smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[C@@]3([NH3+])C2)nc1 ZINC001164419083 718888833 /nfs/dbraw/zinc/88/88/33/718888833.db2.gz PPPHFUQWWBPXSZ-BFYDXBDKSA-N 2 1 286.423 2.166 20 0 CEADMP Cc1[nH+]cc2n1CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164440878 718990100 /nfs/dbraw/zinc/99/01/00/718990100.db2.gz SLETVIXODWHEHB-UHFFFAOYSA-N 2 1 297.406 2.203 20 0 CEADMP C[NH+](C)[C@H]1CCCN(c2ccc(C[N@@H+](C)C3CC3)cn2)C1 ZINC001165034886 721897005 /nfs/dbraw/zinc/89/70/05/721897005.db2.gz HSMMKNWZNWYEAR-INIZCTEOSA-N 2 1 288.439 2.206 20 0 CEADMP CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001270846954 805585787 /nfs/dbraw/zinc/58/57/87/805585787.db2.gz JUFPECWEULBUTD-QGZVFWFLSA-N 2 1 295.471 2.121 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC[N@H+]1CC ZINC001087749467 805786070 /nfs/dbraw/zinc/78/60/70/805786070.db2.gz MUKQJHFFOLKSFQ-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[N@H+]1CC ZINC001087781669 805792759 /nfs/dbraw/zinc/79/27/59/805792759.db2.gz XKLRMLMZJZWZRP-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]C[C@@H](C)CC)CC1 ZINC001203442227 805802419 /nfs/dbraw/zinc/80/24/19/805802419.db2.gz HSKVYBHLWNQXJS-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)=CC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168029943 805821042 /nfs/dbraw/zinc/82/10/42/805821042.db2.gz KSHOUMFQCOFEQR-JKSUJKDBSA-N 2 1 293.455 2.065 20 0 CEADMP CCC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271207457 805896105 /nfs/dbraw/zinc/89/61/05/805896105.db2.gz MXMCASRLSCXQBH-FLELRFNZSA-N 2 1 295.471 2.121 20 0 CEADMP CCCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001271253498 805902039 /nfs/dbraw/zinc/90/20/39/805902039.db2.gz GPBDUBURVUSAPQ-HUUCEWRRSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)O1 ZINC000688883306 805990600 /nfs/dbraw/zinc/99/06/00/805990600.db2.gz KNGRXZCCKUSNDN-MNFFZHCASA-N 2 1 252.402 2.159 20 0 CEADMP CC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001088330241 806120482 /nfs/dbraw/zinc/12/04/82/806120482.db2.gz SUUFZUBJNOOKGW-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CCO1 ZINC001168093695 806149538 /nfs/dbraw/zinc/14/95/38/806149538.db2.gz WYQGBFGUMISRJX-KGLIPLIRSA-N 3 1 285.476 2.029 20 0 CEADMP CC(C)[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001088382211 806175104 /nfs/dbraw/zinc/17/51/04/806175104.db2.gz WSSCUNRAWCRDFT-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001088413755 806194248 /nfs/dbraw/zinc/19/42/48/806194248.db2.gz NYZDYPXDPUMXGO-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088563187 806419565 /nfs/dbraw/zinc/41/95/65/806419565.db2.gz GWQOVPKUSUTYSF-PMPSAXMXSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088563187 806419570 /nfs/dbraw/zinc/41/95/70/806419570.db2.gz GWQOVPKUSUTYSF-PMPSAXMXSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088563187 806419574 /nfs/dbraw/zinc/41/95/74/806419574.db2.gz GWQOVPKUSUTYSF-PMPSAXMXSA-N 2 1 295.471 2.094 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1Cc2ccc(OC)cc2C1 ZINC001168230073 806424199 /nfs/dbraw/zinc/42/41/99/806424199.db2.gz HEJFOSAYZDSXPS-OAHLLOKOSA-N 2 1 262.397 2.223 20 0 CEADMP C[NH+](C)C1CCC(N2CCC([NH+]3CCCC3)CC2)CC1 ZINC001168316301 806650267 /nfs/dbraw/zinc/65/02/67/806650267.db2.gz XRLKSIBQPDBTDF-UHFFFAOYSA-N 2 1 279.472 2.419 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@@]3(CCCO3)C2)CC1 ZINC001168314646 806647626 /nfs/dbraw/zinc/64/76/26/806647626.db2.gz OBHVCVDCXOREOJ-NRXISQOPSA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)CCC[NH+]2CCCC2)CC1 ZINC001168323285 806653172 /nfs/dbraw/zinc/65/31/72/806653172.db2.gz XMGATWGSQDDOGR-UHFFFAOYSA-N 3 1 267.461 2.277 20 0 CEADMP C[NH+](C)C1CCC([N@H+](C)CCCN2CCCC2)CC1 ZINC001168323285 806653175 /nfs/dbraw/zinc/65/31/75/806653175.db2.gz XMGATWGSQDDOGR-UHFFFAOYSA-N 2 1 267.461 2.277 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)CCCN2CCCC2)CC1 ZINC001168323285 806653176 /nfs/dbraw/zinc/65/31/76/806653176.db2.gz XMGATWGSQDDOGR-UHFFFAOYSA-N 2 1 267.461 2.277 20 0 CEADMP C[NH+](C)C1CCC(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001168328957 806658040 /nfs/dbraw/zinc/65/80/40/806658040.db2.gz MQXWWIIBUGKUSR-KNIAUWFNSA-N 2 1 265.445 2.028 20 0 CEADMP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168344983 806667492 /nfs/dbraw/zinc/66/74/92/806667492.db2.gz IXROUYHLXYRPCP-OAHLLOKOSA-N 2 1 297.487 2.249 20 0 CEADMP COC(=O)C[C@H]1CCC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208188347 802377765 /nfs/dbraw/zinc/37/77/65/802377765.db2.gz YGBGHSREMKFWDW-OAHLLOKOSA-N 2 1 296.455 2.384 20 0 CEADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)CC1 ZINC001208603492 802387479 /nfs/dbraw/zinc/38/74/79/802387479.db2.gz CXADJMWMAUPWIB-GJZGRUSLSA-N 2 1 264.413 2.019 20 0 CEADMP COC(=O)[C@@H](C)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001208721552 802403749 /nfs/dbraw/zinc/40/37/49/802403749.db2.gz ZJTLUZLXKSQULO-SOUVJXGZSA-N 2 1 282.428 2.134 20 0 CEADMP COC(=O)[C@@H](C)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001208721552 802403755 /nfs/dbraw/zinc/40/37/55/802403755.db2.gz ZJTLUZLXKSQULO-SOUVJXGZSA-N 2 1 282.428 2.134 20 0 CEADMP COC(=O)[C@@H](C)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001208721552 802403757 /nfs/dbraw/zinc/40/37/57/802403757.db2.gz ZJTLUZLXKSQULO-SOUVJXGZSA-N 2 1 282.428 2.134 20 0 CEADMP COC(=O)[C@H](C)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001208721551 802404050 /nfs/dbraw/zinc/40/40/50/802404050.db2.gz ZJTLUZLXKSQULO-QLFBSQMISA-N 2 1 282.428 2.134 20 0 CEADMP COC(=O)[C@H](C)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001208721551 802404054 /nfs/dbraw/zinc/40/40/54/802404054.db2.gz ZJTLUZLXKSQULO-QLFBSQMISA-N 2 1 282.428 2.134 20 0 CEADMP COC(=O)[C@H](C)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001208721551 802404058 /nfs/dbraw/zinc/40/40/58/802404058.db2.gz ZJTLUZLXKSQULO-QLFBSQMISA-N 2 1 282.428 2.134 20 0 CEADMP COCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209055355 802465383 /nfs/dbraw/zinc/46/53/83/802465383.db2.gz WXOKJNCZIDIVNQ-ZWKOTPCHSA-N 2 1 288.435 2.477 20 0 CEADMP COCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209055355 802465388 /nfs/dbraw/zinc/46/53/88/802465388.db2.gz WXOKJNCZIDIVNQ-ZWKOTPCHSA-N 2 1 288.435 2.477 20 0 CEADMP COCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209055355 802465393 /nfs/dbraw/zinc/46/53/93/802465393.db2.gz WXOKJNCZIDIVNQ-ZWKOTPCHSA-N 2 1 288.435 2.477 20 0 CEADMP CCOC(=O)NC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC001209453036 802533700 /nfs/dbraw/zinc/53/37/00/802533700.db2.gz DJRQSXHOXBWAJU-UHFFFAOYSA-N 2 1 297.443 2.073 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4c(c3)CCO4)C[C@@H]2C1 ZINC001204494440 802647759 /nfs/dbraw/zinc/64/77/59/802647759.db2.gz KSOUBMHBXOTICR-IRXDYDNUSA-N 2 1 286.419 2.395 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000711820548 810098870 /nfs/dbraw/zinc/09/88/70/810098870.db2.gz KBWYMLBXSZQHSV-UHFFFAOYSA-N 2 1 262.401 2.040 20 0 CEADMP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001266599857 802757342 /nfs/dbraw/zinc/75/73/42/802757342.db2.gz ZQZYLVQCVAHTTB-JYJNAYRXSA-N 2 1 293.455 2.064 20 0 CEADMP CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001266614524 802778867 /nfs/dbraw/zinc/77/88/67/802778867.db2.gz IBDRJYQDHCHVMO-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cc(C)c1F ZINC001143381724 802820476 /nfs/dbraw/zinc/82/04/76/802820476.db2.gz MEJOTHYXNGFSIJ-UHFFFAOYSA-N 2 1 293.430 2.122 20 0 CEADMP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001266712927 802858688 /nfs/dbraw/zinc/85/86/88/802858688.db2.gz JXOOZYWUTMVWKW-GASCZTMLSA-N 2 1 295.471 2.167 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC)C1 ZINC001086530551 811839323 /nfs/dbraw/zinc/83/93/23/811839323.db2.gz FFIQGACTILBGCS-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000723691741 802924870 /nfs/dbraw/zinc/92/48/70/802924870.db2.gz STCCOXGFLMTDMO-SECBINFHSA-N 2 1 258.287 2.275 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000723696871 802925628 /nfs/dbraw/zinc/92/56/28/802925628.db2.gz ZTEMIMASJHDBML-ZDUSSCGKSA-N 2 1 255.365 2.406 20 0 CEADMP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723696432 802925759 /nfs/dbraw/zinc/92/57/59/802925759.db2.gz VHZGUAPCGXNZKV-GFCCVEGCSA-N 2 1 295.814 2.258 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000723697635 802926300 /nfs/dbraw/zinc/92/63/00/802926300.db2.gz BTNSICSYVPGBIC-NSHDSACASA-N 2 1 296.798 2.282 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCc2cc(F)cc(F)c2)C[NH2+]1 ZINC000398953753 802926590 /nfs/dbraw/zinc/92/65/90/802926590.db2.gz GBCIGHUDYMZJKT-YGRLFVJLSA-N 2 1 254.324 2.237 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000398966124 802929198 /nfs/dbraw/zinc/92/91/98/802929198.db2.gz RBMRDNVMUFLXFN-KKUMJFAQSA-N 3 1 255.450 2.227 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cncc(Cl)c2)C[C@H]1CC[NH3+] ZINC000723901351 802966910 /nfs/dbraw/zinc/96/69/10/802966910.db2.gz FXDXEARXWKQIRA-ZYHUDNBSSA-N 2 1 253.777 2.152 20 0 CEADMP C[C@@H]1CC[C@@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000399195447 802978845 /nfs/dbraw/zinc/97/88/45/802978845.db2.gz RSHRIEVZPBPDTC-KBAYOESNSA-N 2 1 287.451 2.239 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCCC(C)C)CC[N@H+]1C ZINC001266939934 803012852 /nfs/dbraw/zinc/01/28/52/803012852.db2.gz REHOALMPWGGDIB-OWCLPIDISA-N 2 1 297.487 2.247 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693586134 803139310 /nfs/dbraw/zinc/13/93/10/803139310.db2.gz RSYUSIZUSCSSRO-NXHRZFHOSA-N 2 1 287.451 2.320 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693586134 803139314 /nfs/dbraw/zinc/13/93/14/803139314.db2.gz RSYUSIZUSCSSRO-NXHRZFHOSA-N 2 1 287.451 2.320 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693586134 803139318 /nfs/dbraw/zinc/13/93/18/803139318.db2.gz RSYUSIZUSCSSRO-NXHRZFHOSA-N 2 1 287.451 2.320 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)CC2CCCC2)[C@H]1CC[NH3+] ZINC000404285963 803239841 /nfs/dbraw/zinc/23/98/41/803239841.db2.gz HVADJHFNXWFVSX-KBMXLJTQSA-N 2 1 268.445 2.377 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000724928192 803352293 /nfs/dbraw/zinc/35/22/93/803352293.db2.gz ZXSKGMHHSBOJKO-MCIONIFRSA-N 2 1 297.443 2.068 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC(C)C ZINC001038329333 803622550 /nfs/dbraw/zinc/62/25/50/803622550.db2.gz PSGJHPRTYXACHU-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cnccc3C)C[C@@H]2C1 ZINC001141047930 803687307 /nfs/dbraw/zinc/68/73/07/803687307.db2.gz BCDHRKLQXWEHDB-IYBDPMFKSA-N 2 1 259.397 2.164 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cnccc3C)C[C@@H]2C1 ZINC001141047930 803687309 /nfs/dbraw/zinc/68/73/09/803687309.db2.gz BCDHRKLQXWEHDB-IYBDPMFKSA-N 2 1 259.397 2.164 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cnccc3C)C[C@@H]2C1 ZINC001141047930 803687313 /nfs/dbraw/zinc/68/73/13/803687313.db2.gz BCDHRKLQXWEHDB-IYBDPMFKSA-N 2 1 259.397 2.164 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cnccc3C)C[C@@H]2C1 ZINC001141047930 803687318 /nfs/dbraw/zinc/68/73/18/803687318.db2.gz BCDHRKLQXWEHDB-IYBDPMFKSA-N 2 1 259.397 2.164 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C(C)C)C1 ZINC001104932946 803725675 /nfs/dbraw/zinc/72/56/75/803725675.db2.gz WXIHSBUHLPBYDI-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267889648 803802843 /nfs/dbraw/zinc/80/28/43/803802843.db2.gz OJZRZZWBYJPOSR-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNc1cc(C[NH3+])ccn1 ZINC001167749034 803829083 /nfs/dbraw/zinc/82/90/83/803829083.db2.gz WGPZLLLOWPFLCB-ZDUSSCGKSA-N 2 1 262.401 2.217 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC[C@H](C2CC2)O1)C1CC[NH2+]CC1 ZINC000715528189 814972495 /nfs/dbraw/zinc/97/24/95/814972495.db2.gz ANOXOELCAFIGFY-JKSUJKDBSA-N 2 1 266.429 2.408 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[C@@H](C4CC4)O3)C[C@@H]21 ZINC000715536600 814973970 /nfs/dbraw/zinc/97/39/70/814973970.db2.gz SKCRNXGTOHFMKM-CWVYHPPDSA-N 2 1 264.413 2.003 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)ccc1F ZINC001118015452 814976958 /nfs/dbraw/zinc/97/69/58/814976958.db2.gz ADQMFRRDRGXPTD-AWEZNQCLSA-N 2 1 266.360 2.312 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118198839 814993289 /nfs/dbraw/zinc/99/32/89/814993289.db2.gz VKMOSHVPKVNLPL-UHFFFAOYSA-N 2 1 282.428 2.185 20 0 CEADMP Cc1[nH+]c(N)ccc1CNc1cc[nH+]cc1C(F)(F)F ZINC001167786858 804186238 /nfs/dbraw/zinc/18/62/38/804186238.db2.gz ZNOWZFBZVNQFSW-UHFFFAOYSA-N 2 1 282.269 2.420 20 0 CEADMP CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027695431 804199038 /nfs/dbraw/zinc/19/90/38/804199038.db2.gz VCLLNVZZSMAWFT-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C)C1 ZINC001167825163 804383878 /nfs/dbraw/zinc/38/38/78/804383878.db2.gz GKZDQCKSWLZFFL-LSDHHAIUSA-N 2 1 255.450 2.133 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC001167834184 804414767 /nfs/dbraw/zinc/41/47/67/804414767.db2.gz ITAVOSYMOUCIAV-KKUMJFAQSA-N 2 1 284.444 2.238 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001167834569 804417406 /nfs/dbraw/zinc/41/74/06/804417406.db2.gz KVQTUYZHYWGDLY-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CCC1OCCO1 ZINC001167839503 804434990 /nfs/dbraw/zinc/43/49/90/804434990.db2.gz YMWDINSQBKHKND-AWEZNQCLSA-N 2 1 272.433 2.192 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2cnn(C)c2C1 ZINC001167840979 804443639 /nfs/dbraw/zinc/44/36/39/804443639.db2.gz IWMLFEJSJNXOND-AWEZNQCLSA-N 2 1 278.444 2.289 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2C(C)C)C1 ZINC001028088711 804444763 /nfs/dbraw/zinc/44/47/63/804444763.db2.gz OILRBCMBGAWRLZ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028088711 804444768 /nfs/dbraw/zinc/44/47/68/804444768.db2.gz OILRBCMBGAWRLZ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001028088711 804444771 /nfs/dbraw/zinc/44/47/71/804444771.db2.gz OILRBCMBGAWRLZ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C(C1CC1)[NH+]1CCC([N@H+]2CC[C@H]3CCCO[C@H]3C2)CC1 ZINC001168378725 807023107 /nfs/dbraw/zinc/02/31/07/807023107.db2.gz RLNIAHIUEZSBQU-WBVHZDCISA-N 2 1 278.440 2.362 20 0 CEADMP CC1(C)NC(=O)Nc2cc(NC(=[NH2+])SCC[NH3+])ccc21 ZINC001167916374 804739135 /nfs/dbraw/zinc/73/91/35/804739135.db2.gz SDBOKXJSEJODBF-UHFFFAOYSA-N 2 1 293.396 2.095 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001168388702 807048105 /nfs/dbraw/zinc/04/81/05/807048105.db2.gz GMPRVZUMPWZKMU-KRWDZBQOSA-N 2 1 279.472 2.275 20 0 CEADMP CC(C)=CC[NH2+]C[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001269652398 805223372 /nfs/dbraw/zinc/22/33/72/805223372.db2.gz PRIVYDKCVMUBQR-KRWDZBQOSA-N 2 1 295.471 2.167 20 0 CEADMP CCC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@H]1C ZINC001269675407 805227584 /nfs/dbraw/zinc/22/75/84/805227584.db2.gz AAAYDYWUITXGCL-NVXWUHKLSA-N 2 1 297.487 2.391 20 0 CEADMP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001038406217 805246883 /nfs/dbraw/zinc/24/68/83/805246883.db2.gz BOCVITHIQDRRDV-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001038406217 805246887 /nfs/dbraw/zinc/24/68/87/805246887.db2.gz BOCVITHIQDRRDV-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001038406217 805246893 /nfs/dbraw/zinc/24/68/93/805246893.db2.gz BOCVITHIQDRRDV-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001038406217 805246901 /nfs/dbraw/zinc/24/69/01/805246901.db2.gz BOCVITHIQDRRDV-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP COc1c(F)cc(F)cc1C[N@@H+]1CCc2nccn2CC1 ZINC001143562230 805360542 /nfs/dbraw/zinc/36/05/42/805360542.db2.gz DSWBFWBAKXUALC-UHFFFAOYSA-N 2 1 293.317 2.228 20 0 CEADMP COc1c(F)cc(F)cc1CN1CCc2nccn2CC1 ZINC001143562230 805360551 /nfs/dbraw/zinc/36/05/51/805360551.db2.gz DSWBFWBAKXUALC-UHFFFAOYSA-N 2 1 293.317 2.228 20 0 CEADMP Cc1cnc(CC[NH3+])n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964388 805448529 /nfs/dbraw/zinc/44/85/29/805448529.db2.gz QIBCTNCJILVBEJ-XYPWUTKMSA-N 2 1 288.439 2.271 20 0 CEADMP O=C1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167971213 805499569 /nfs/dbraw/zinc/49/95/69/805499569.db2.gz SRTPNYKRPHULLV-HNSVSWJLSA-N 2 1 276.424 2.493 20 0 CEADMP CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001029099841 805527361 /nfs/dbraw/zinc/52/73/61/805527361.db2.gz WYDCSKFULGFZEJ-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H]1CO ZINC001167984738 805537695 /nfs/dbraw/zinc/53/76/95/805537695.db2.gz QJWLWVNVBHWKER-UXRNWYHQSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H]1CO ZINC001167984738 805537701 /nfs/dbraw/zinc/53/77/01/805537701.db2.gz QJWLWVNVBHWKER-UXRNWYHQSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H]1CO ZINC001167984738 805537709 /nfs/dbraw/zinc/53/77/09/805537709.db2.gz QJWLWVNVBHWKER-UXRNWYHQSA-N 2 1 292.467 2.485 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H]1C ZINC001088898666 807267610 /nfs/dbraw/zinc/26/76/10/807267610.db2.gz PVJFIONWSKTDJR-OWCLPIDISA-N 2 1 295.471 2.238 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H]1C ZINC001088898666 807267617 /nfs/dbraw/zinc/26/76/17/807267617.db2.gz PVJFIONWSKTDJR-OWCLPIDISA-N 2 1 295.471 2.238 20 0 CEADMP CCOC(=O)[C@H]1CC[C@H](C[N@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001205094863 807582695 /nfs/dbraw/zinc/58/26/95/807582695.db2.gz RHFOWSSCUZIFPJ-RBSFLKMASA-N 2 1 282.428 2.169 20 0 CEADMP CC[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)CO1 ZINC000699259962 807664206 /nfs/dbraw/zinc/66/42/06/807664206.db2.gz LNEFRDOTYQSQNW-OIYCOIKZSA-N 2 1 252.402 2.016 20 0 CEADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089419168 807964022 /nfs/dbraw/zinc/96/40/22/807964022.db2.gz DBKNHAGLSZITNV-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCNc1ccc(C)c[nH+]1 ZINC001119904609 815169346 /nfs/dbraw/zinc/16/93/46/815169346.db2.gz FIZHEYXCKWOINT-ZDUSSCGKSA-N 2 1 292.427 2.085 20 0 CEADMP C[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@H]1O ZINC001171631011 815201398 /nfs/dbraw/zinc/20/13/98/815201398.db2.gz CYQYWLKGYGBANO-TZMCWYRMSA-N 2 1 268.445 2.341 20 0 CEADMP C[NH+]1C(C)(C)CC(N2CCC[N@@H+](C)CC2)CC1(C)C ZINC001171629929 815201555 /nfs/dbraw/zinc/20/15/55/815201555.db2.gz ZXAWEHFYBQWUCK-UHFFFAOYSA-N 2 1 267.461 2.275 20 0 CEADMP CN1CCC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171629929 815201560 /nfs/dbraw/zinc/20/15/60/815201560.db2.gz ZXAWEHFYBQWUCK-UHFFFAOYSA-N 2 1 267.461 2.275 20 0 CEADMP CN1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171629929 815201563 /nfs/dbraw/zinc/20/15/63/815201563.db2.gz ZXAWEHFYBQWUCK-UHFFFAOYSA-N 2 1 267.461 2.275 20 0 CEADMP C[NH+]1C(C)(C)CC([NH+]2CCN(C3CC3)CC2)CC1(C)C ZINC001171628673 815200451 /nfs/dbraw/zinc/20/04/51/815200451.db2.gz FTOYXCSRFYFCCJ-UHFFFAOYSA-N 2 1 279.472 2.418 20 0 CEADMP Cn1cc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)cn1 ZINC001171614346 815203633 /nfs/dbraw/zinc/20/36/33/815203633.db2.gz YCVPKDNKWZBRFN-UHFFFAOYSA-N 2 1 264.417 2.161 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001171645722 815207533 /nfs/dbraw/zinc/20/75/33/815207533.db2.gz AEJLIRAWCFLSGT-HOTGVXAUSA-N 2 1 297.487 2.391 20 0 CEADMP C[NH+]1C(C)(C)CC([NH+]2CCN(CCF)CC2)CC1(C)C ZINC001171639230 815214374 /nfs/dbraw/zinc/21/43/74/815214374.db2.gz AFBNDAORRPGZJJ-UHFFFAOYSA-N 2 1 285.451 2.225 20 0 CEADMP C[C@H]1C[C@@H](n2ccc(C[NH3+])n2)C[N@H+]1Cc1ccccc1 ZINC001171725960 815217949 /nfs/dbraw/zinc/21/79/49/815217949.db2.gz QNSMIHFUKHVICG-XJKSGUPXSA-N 2 1 270.380 2.177 20 0 CEADMP CSc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205212366 808576343 /nfs/dbraw/zinc/57/63/43/808576343.db2.gz ZJPZKANJKAPUKB-OAHLLOKOSA-N 2 1 280.437 2.084 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C(C)C ZINC000721913737 808608051 /nfs/dbraw/zinc/60/80/51/808608051.db2.gz PSHJULRFZKRFGZ-OWCLPIDISA-N 2 1 268.445 2.369 20 0 CEADMP C[C@H]1C[C@H](N2CC[C@H]([NH+](C)C)C2)C[N@H+]1Cc1ccccc1 ZINC001171743547 815222707 /nfs/dbraw/zinc/22/27/07/815222707.db2.gz BMTQPCFCQREDQM-SZMVWBNQSA-N 2 1 287.451 2.285 20 0 CEADMP CCC1(Nc2c[nH+]c3c(Br)cccn23)C[NH2+]C1 ZINC001168582661 808667834 /nfs/dbraw/zinc/66/78/34/808667834.db2.gz VZARTJCHJXYRSJ-UHFFFAOYSA-N 2 1 295.184 2.261 20 0 CEADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCCC[NH2+]CC(C)C ZINC001171820441 815233698 /nfs/dbraw/zinc/23/36/98/815233698.db2.gz CSIXSZRQULOSJP-CQSZACIVSA-N 2 1 294.443 2.112 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168675745 808905496 /nfs/dbraw/zinc/90/54/96/808905496.db2.gz GOMOZRXYLSJAGO-CYBMUJFWSA-N 2 1 264.800 2.491 20 0 CEADMP CC(C)(C)OC(=O)C1CCC([NH2+]C(C)(C)C[NH3+])CC1 ZINC001171909592 815250081 /nfs/dbraw/zinc/25/00/81/815250081.db2.gz WVHJWAZHIGSWDD-UHFFFAOYSA-N 2 1 270.417 2.214 20 0 CEADMP CC[C@H](C[NH2+][C@H]1C[C@@H](OC)C12CCC2)[NH+]1CCCC1 ZINC000453083069 809035752 /nfs/dbraw/zinc/03/57/52/809035752.db2.gz MUJUXPMMYHHPEB-QLFBSQMISA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)C[C@H]([NH+]2CC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171975389 815265349 /nfs/dbraw/zinc/26/53/49/815265349.db2.gz CPTQTFVXOSCGEE-IAGOWNOFSA-N 2 1 288.435 2.496 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168737692 809200714 /nfs/dbraw/zinc/20/07/14/809200714.db2.gz CKBVAOLJJDMKKV-MJBXVCDLSA-N 2 1 276.811 2.301 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168737692 809200716 /nfs/dbraw/zinc/20/07/16/809200716.db2.gz CKBVAOLJJDMKKV-MJBXVCDLSA-N 2 1 276.811 2.301 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168737692 809200719 /nfs/dbraw/zinc/20/07/19/809200719.db2.gz CKBVAOLJJDMKKV-MJBXVCDLSA-N 2 1 276.811 2.301 20 0 CEADMP CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033358210 809282988 /nfs/dbraw/zinc/28/29/88/809282988.db2.gz IDARECBWAGOILG-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033358210 809282994 /nfs/dbraw/zinc/28/29/94/809282994.db2.gz IDARECBWAGOILG-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033358210 809282997 /nfs/dbraw/zinc/28/29/97/809282997.db2.gz IDARECBWAGOILG-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP COc1cccc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172101175 815281107 /nfs/dbraw/zinc/28/11/07/815281107.db2.gz XEOHKBXHCPXHMP-MUJYYYPQSA-N 2 1 289.423 2.238 20 0 CEADMP CC(C)N(CCC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100500 815284751 /nfs/dbraw/zinc/28/47/51/815284751.db2.gz CUGQUMKOGRLZDO-QDMKHBRRSA-N 2 1 253.434 2.061 20 0 CEADMP CC(C)[N@H+](CCC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172100500 815284755 /nfs/dbraw/zinc/28/47/55/815284755.db2.gz CUGQUMKOGRLZDO-QDMKHBRRSA-N 3 1 253.434 2.061 20 0 CEADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172100500 815284758 /nfs/dbraw/zinc/28/47/58/815284758.db2.gz CUGQUMKOGRLZDO-QDMKHBRRSA-N 3 1 253.434 2.061 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033765194 809409305 /nfs/dbraw/zinc/40/93/05/809409305.db2.gz ADVJKQNXXHEQLE-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001033765194 809409311 /nfs/dbraw/zinc/40/93/11/809409311.db2.gz ADVJKQNXXHEQLE-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172127017 815287376 /nfs/dbraw/zinc/28/73/76/815287376.db2.gz FMXWCRLSXAQSTF-QRJUGERDSA-N 2 1 264.413 2.255 20 0 CEADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172127017 815287379 /nfs/dbraw/zinc/28/73/79/815287379.db2.gz FMXWCRLSXAQSTF-QRJUGERDSA-N 2 1 264.413 2.255 20 0 CEADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172127017 815287382 /nfs/dbraw/zinc/28/73/82/815287382.db2.gz FMXWCRLSXAQSTF-QRJUGERDSA-N 2 1 264.413 2.255 20 0 CEADMP COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129922 815288601 /nfs/dbraw/zinc/28/86/01/815288601.db2.gz FFPWPTYPJNJPGC-OWDFPOFWSA-N 2 1 292.423 2.028 20 0 CEADMP COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129922 815288604 /nfs/dbraw/zinc/28/86/04/815288604.db2.gz FFPWPTYPJNJPGC-OWDFPOFWSA-N 2 1 292.423 2.028 20 0 CEADMP COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129922 815288605 /nfs/dbraw/zinc/28/86/05/815288605.db2.gz FFPWPTYPJNJPGC-OWDFPOFWSA-N 2 1 292.423 2.028 20 0 CEADMP COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129922 815288607 /nfs/dbraw/zinc/28/86/07/815288607.db2.gz FFPWPTYPJNJPGC-OWDFPOFWSA-N 2 1 292.423 2.028 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC1=CCCCC1 ZINC001128774099 809447246 /nfs/dbraw/zinc/44/72/46/809447246.db2.gz LKONTRNVKDJLRK-MRXNPFEDSA-N 2 1 293.455 2.067 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(F)CCOCC1)C2 ZINC001172107747 815295854 /nfs/dbraw/zinc/29/58/54/815295854.db2.gz KPWCDPWIBXLMSX-BTTYYORXSA-N 2 1 270.392 2.110 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCC[NH+](C)CC1)C2 ZINC001172104812 815295928 /nfs/dbraw/zinc/29/59/28/815295928.db2.gz GFUXDRZUXVNTNX-JONQDZQNSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCC[N@H+](C)CC1)C2 ZINC001172104812 815295935 /nfs/dbraw/zinc/29/59/35/815295935.db2.gz GFUXDRZUXVNTNX-JONQDZQNSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCC[N@@H+](C)CC1)C2 ZINC001172104812 815295938 /nfs/dbraw/zinc/29/59/38/815295938.db2.gz GFUXDRZUXVNTNX-JONQDZQNSA-N 2 1 265.445 2.076 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCn1nnc3ccccc31)C2 ZINC001172105384 815296936 /nfs/dbraw/zinc/29/69/36/815296936.db2.gz HYCLDSCNOQQPQL-QKDCVEJESA-N 2 1 299.422 2.036 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC001172108541 815298346 /nfs/dbraw/zinc/29/83/46/815298346.db2.gz XIVAWPMDTDKWHR-QKDCVEJESA-N 2 1 275.396 2.195 20 0 CEADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1C ZINC001172107953 815298419 /nfs/dbraw/zinc/29/84/19/815298419.db2.gz MJBULNBKSLXOLH-QDMKHBRRSA-N 2 1 261.413 2.438 20 0 CEADMP COC(=O)CC1CC(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172108629 815298719 /nfs/dbraw/zinc/29/87/19/815298719.db2.gz CHOBGPITIWGSAG-WQZDSJPGSA-N 2 1 294.439 2.181 20 0 CEADMP CC[N@H+]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172109122 815298871 /nfs/dbraw/zinc/29/88/71/815298871.db2.gz BGELJEKGYUQEGO-ZSHCYNCHSA-N 2 1 265.445 2.029 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034400933 809600729 /nfs/dbraw/zinc/60/07/29/809600729.db2.gz YSPZURZUBZWNIT-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001034400933 809600733 /nfs/dbraw/zinc/60/07/33/809600733.db2.gz YSPZURZUBZWNIT-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034400933 809600736 /nfs/dbraw/zinc/60/07/36/809600736.db2.gz YSPZURZUBZWNIT-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CO[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172115148 815302231 /nfs/dbraw/zinc/30/22/31/815302231.db2.gz VHVVJPBDWIJLIY-YJNKXOJESA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172115148 815302236 /nfs/dbraw/zinc/30/22/36/815302236.db2.gz VHVVJPBDWIJLIY-YJNKXOJESA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172115148 815302242 /nfs/dbraw/zinc/30/22/42/815302242.db2.gz VHVVJPBDWIJLIY-YJNKXOJESA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172115148 815302247 /nfs/dbraw/zinc/30/22/47/815302247.db2.gz VHVVJPBDWIJLIY-YJNKXOJESA-N 2 1 252.402 2.113 20 0 CEADMP CC(C)[C@H](C[NH2+]C1CCC(C)(O)CC1)[NH+]1CCCC1 ZINC000703003365 809611057 /nfs/dbraw/zinc/61/10/57/809611057.db2.gz NCHXLQNTTGRIMF-PCKAHOCUSA-N 2 1 268.445 2.390 20 0 CEADMP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528511 809624530 /nfs/dbraw/zinc/62/45/30/809624530.db2.gz OLWDWWKWNOXVPR-INIZCTEOSA-N 2 1 293.455 2.019 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](CCO)Cc1ccccc1)C2 ZINC001172113550 815304698 /nfs/dbraw/zinc/30/46/98/815304698.db2.gz KGZFUTYZMXWWSV-BCDXTJNWSA-N 2 1 288.435 2.496 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](CCO)Cc1ccccc1)C2 ZINC001172113550 815304704 /nfs/dbraw/zinc/30/47/04/815304704.db2.gz KGZFUTYZMXWWSV-BCDXTJNWSA-N 2 1 288.435 2.496 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](CCO)Cc1ccccc1)C2 ZINC001172113550 815304710 /nfs/dbraw/zinc/30/47/10/815304710.db2.gz KGZFUTYZMXWWSV-BCDXTJNWSA-N 2 1 288.435 2.496 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1COC(C)(C)C1)C2 ZINC001172119267 815307899 /nfs/dbraw/zinc/30/78/99/815307899.db2.gz XINDGONXFJABAE-YIYPIFLZSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1COC(C)(C)C1)C2 ZINC001172119267 815307905 /nfs/dbraw/zinc/30/79/05/815307905.db2.gz XINDGONXFJABAE-YIYPIFLZSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@](O)(CF)CC1)C2 ZINC001172121674 815313947 /nfs/dbraw/zinc/31/39/47/815313947.db2.gz SHUKEOLKKUYZPD-FZKCQIBNSA-N 2 1 284.419 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@](O)(CF)CC1)C2 ZINC001172121674 815313951 /nfs/dbraw/zinc/31/39/51/815313951.db2.gz SHUKEOLKKUYZPD-FZKCQIBNSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@](O)(CF)CC1)C2 ZINC001172121674 815313957 /nfs/dbraw/zinc/31/39/57/815313957.db2.gz SHUKEOLKKUYZPD-FZKCQIBNSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@](O)(CF)CC1)C2 ZINC001172121674 815313962 /nfs/dbraw/zinc/31/39/62/815313962.db2.gz SHUKEOLKKUYZPD-FZKCQIBNSA-N 2 1 284.419 2.188 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1C[NH3+] ZINC000708859261 809937928 /nfs/dbraw/zinc/93/79/28/809937928.db2.gz VUFCETODWSZVDB-BBBLOLIVSA-N 2 1 251.201 2.097 20 0 CEADMP C[C@@H](C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)CC(C)(C)C ZINC000709164165 809945543 /nfs/dbraw/zinc/94/55/43/809945543.db2.gz KQMZRSFHTABDPF-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCC2)C[C@H]1C(F)(F)F ZINC000709861028 809972576 /nfs/dbraw/zinc/97/25/76/809972576.db2.gz LBNXPFOYKYHRDY-GHMZBOCLSA-N 2 1 250.308 2.246 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C(F)(F)F ZINC000709816489 809970553 /nfs/dbraw/zinc/97/05/53/809970553.db2.gz JNENEJZHNLZJFB-CHWSQXEVSA-N 2 1 272.314 2.298 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000709829287 809971574 /nfs/dbraw/zinc/97/15/74/809971574.db2.gz UHJZHCZUPZSIRQ-IRXDYDNUSA-N 2 1 274.408 2.450 20 0 CEADMP c1ccc(COCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000709904803 809975093 /nfs/dbraw/zinc/97/50/93/809975093.db2.gz NTMDOGURYHOFOX-KRWDZBQOSA-N 2 1 274.408 2.279 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCCO1 ZINC000710906449 809999720 /nfs/dbraw/zinc/99/97/20/809999720.db2.gz JHCHFSGVEVFDOY-NSHDSACASA-N 2 1 266.410 2.005 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)CC[C@@H]1C[NH3+] ZINC000711229110 810049541 /nfs/dbraw/zinc/04/95/41/810049541.db2.gz WJGCSTVKBQFIQU-MGPQQGTHSA-N 2 1 268.445 2.497 20 0 CEADMP C[N@@H+](CCCCc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307099 810084503 /nfs/dbraw/zinc/08/45/03/810084503.db2.gz UMVJUJPOFKLCHE-KRWDZBQOSA-N 2 1 288.435 2.320 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)C1CCCCC1 ZINC000923371531 810088180 /nfs/dbraw/zinc/08/81/80/810088180.db2.gz BSVMCALQYBJLOL-HOTGVXAUSA-N 2 1 298.377 2.495 20 0 CEADMP CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001079806645 810234356 /nfs/dbraw/zinc/23/43/56/810234356.db2.gz QKKFWVQLQLVXFA-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001079806645 810234358 /nfs/dbraw/zinc/23/43/58/810234358.db2.gz QKKFWVQLQLVXFA-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001079806645 810234361 /nfs/dbraw/zinc/23/43/61/810234361.db2.gz QKKFWVQLQLVXFA-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCC1([NH2+]C2CC[NH+](CCCOC)CC2)CCC1 ZINC001172249391 815358197 /nfs/dbraw/zinc/35/81/97/815358197.db2.gz FVWWHUGKWVEGSV-UHFFFAOYSA-N 2 1 254.418 2.410 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCC(C)(C)C2)CC1 ZINC001172255583 815360192 /nfs/dbraw/zinc/36/01/92/815360192.db2.gz WMRUUHUGNSUGAC-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCC(C)(C)C2)CC1 ZINC001172255583 815360197 /nfs/dbraw/zinc/36/01/97/815360197.db2.gz WMRUUHUGNSUGAC-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001172256418 815361207 /nfs/dbraw/zinc/36/12/07/815361207.db2.gz VVEAIIRKJCFBDS-CQSZACIVSA-N 2 1 288.382 2.218 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001172256418 815361214 /nfs/dbraw/zinc/36/12/14/815361214.db2.gz VVEAIIRKJCFBDS-CQSZACIVSA-N 2 1 288.382 2.218 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](C(C)C)C1 ZINC001015973289 810381568 /nfs/dbraw/zinc/38/15/68/810381568.db2.gz AYVOORBSBZJYQG-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C(C)C)C1 ZINC001015973289 810381572 /nfs/dbraw/zinc/38/15/72/810381572.db2.gz AYVOORBSBZJYQG-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](C(C)C)C1 ZINC001015973289 810381577 /nfs/dbraw/zinc/38/15/77/810381577.db2.gz AYVOORBSBZJYQG-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001017144832 810496191 /nfs/dbraw/zinc/49/61/91/810496191.db2.gz AJWJPCQZJTYDKY-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001017144832 810496195 /nfs/dbraw/zinc/49/61/95/810496195.db2.gz AJWJPCQZJTYDKY-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001017144832 810496197 /nfs/dbraw/zinc/49/61/97/810496197.db2.gz AJWJPCQZJTYDKY-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000823765136 810626836 /nfs/dbraw/zinc/62/68/36/810626836.db2.gz XQPPMOLXWQCJKM-WMLDXEAASA-N 2 1 273.424 2.477 20 0 CEADMP CC[C@H](C)OCC[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001172334751 815393898 /nfs/dbraw/zinc/39/38/98/815393898.db2.gz IKUDMVIOLKDHNJ-GJZGRUSLSA-N 2 1 286.460 2.281 20 0 CEADMP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001085245804 810702917 /nfs/dbraw/zinc/70/29/17/810702917.db2.gz NCCFUJHXAAKYAO-OAGGEKHMSA-N 2 1 295.471 2.144 20 0 CEADMP CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001085594937 810845382 /nfs/dbraw/zinc/84/53/82/810845382.db2.gz SSKJTLABJXZKLE-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085594937 810845388 /nfs/dbraw/zinc/84/53/88/810845388.db2.gz SSKJTLABJXZKLE-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085594937 810845396 /nfs/dbraw/zinc/84/53/96/810845396.db2.gz SSKJTLABJXZKLE-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1F ZINC001206164178 815406322 /nfs/dbraw/zinc/40/63/22/815406322.db2.gz JIDKPGKAFGWGFT-TZMCWYRMSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1F ZINC001206164178 815406325 /nfs/dbraw/zinc/40/63/25/815406325.db2.gz JIDKPGKAFGWGFT-TZMCWYRMSA-N 2 1 254.324 2.395 20 0 CEADMP CC[N@@H+](CC1CC1)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001155262864 811026972 /nfs/dbraw/zinc/02/69/72/811026972.db2.gz JBTWTHXFDIOFLP-CQSZACIVSA-N 2 1 297.487 2.201 20 0 CEADMP CC[NH+](CC1CC1)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001155262864 811026975 /nfs/dbraw/zinc/02/69/75/811026975.db2.gz JBTWTHXFDIOFLP-CQSZACIVSA-N 2 1 297.487 2.201 20 0 CEADMP CC[NH+](CC1CC1)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001155262864 811026979 /nfs/dbraw/zinc/02/69/79/811026979.db2.gz JBTWTHXFDIOFLP-CQSZACIVSA-N 2 1 297.487 2.201 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000723679704 811028429 /nfs/dbraw/zinc/02/84/29/811028429.db2.gz ITCKWCBMPOUZMG-LLVKDONJSA-N 2 1 278.787 2.158 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)C[NH+](C)C ZINC000381901368 811097879 /nfs/dbraw/zinc/09/78/79/811097879.db2.gz WOYMLPDOVYUFPM-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C)C[NH+](C)C ZINC000381901368 811097888 /nfs/dbraw/zinc/09/78/88/811097888.db2.gz WOYMLPDOVYUFPM-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP CC(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273423558 811113478 /nfs/dbraw/zinc/11/34/78/811113478.db2.gz HMRIMQXSYFUOOA-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205995937 811294823 /nfs/dbraw/zinc/29/48/23/811294823.db2.gz SCJJAWULPGPOBM-CZUORRHYSA-N 2 1 290.407 2.280 20 0 CEADMP CCC(CC)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001043098920 811349588 /nfs/dbraw/zinc/34/95/88/811349588.db2.gz FPQPJDYNIFTKGS-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1ncn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1CSCC[NH3+] ZINC001169100019 811372168 /nfs/dbraw/zinc/37/21/68/811372168.db2.gz ZKFKWYOYVBIQLX-WDNDVIMCSA-N 2 1 294.468 2.181 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ncc3cccc(C[NH3+])c31)C2 ZINC001169101499 811374497 /nfs/dbraw/zinc/37/44/97/811374497.db2.gz SWSXZLDKEDJIQB-FICVDOATSA-N 2 1 270.380 2.293 20 0 CEADMP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC001169079744 811376146 /nfs/dbraw/zinc/37/61/46/811376146.db2.gz KZVHXWVUMGIMPG-FQUUOJAGSA-N 2 1 297.443 2.114 20 0 CEADMP C[N@H+](CCNC(=O)OC(C)(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126534 811395586 /nfs/dbraw/zinc/39/55/86/811395586.db2.gz WABXJCKUDYOTBX-BTTYYORXSA-N 2 1 297.443 2.068 20 0 CEADMP C[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126534 811395592 /nfs/dbraw/zinc/39/55/92/811395592.db2.gz WABXJCKUDYOTBX-BTTYYORXSA-N 2 1 297.443 2.068 20 0 CEADMP C[NH+](CCNC(=O)OC(C)(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126534 811395599 /nfs/dbraw/zinc/39/55/99/811395599.db2.gz WABXJCKUDYOTBX-BTTYYORXSA-N 2 1 297.443 2.068 20 0 CEADMP C[NH+](CCNC(=O)OC(C)(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126534 811395610 /nfs/dbraw/zinc/39/56/10/811395610.db2.gz WABXJCKUDYOTBX-BTTYYORXSA-N 2 1 297.443 2.068 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@]3(C1)CCCCO3)C2 ZINC001169130332 811399899 /nfs/dbraw/zinc/39/98/99/811399899.db2.gz MQNLNUYXPYMKGO-QKPAOTATSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@]3(C1)CCCCO3)C2 ZINC001169130332 811399913 /nfs/dbraw/zinc/39/99/13/811399913.db2.gz MQNLNUYXPYMKGO-QKPAOTATSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@]3(C1)CCCCO3)C2 ZINC001169130332 811399919 /nfs/dbraw/zinc/39/99/19/811399919.db2.gz MQNLNUYXPYMKGO-QKPAOTATSA-N 2 1 264.413 2.257 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCOC(C)(C)C1)C2 ZINC001169140094 811400024 /nfs/dbraw/zinc/40/00/24/811400024.db2.gz HJNBZCUAOANJCC-BTTYYORXSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCOC(C)(C)C1)C2 ZINC001169140094 811400030 /nfs/dbraw/zinc/40/00/30/811400030.db2.gz HJNBZCUAOANJCC-BTTYYORXSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCOC(C)(C)C1)C2 ZINC001169140094 811400034 /nfs/dbraw/zinc/40/00/34/811400034.db2.gz HJNBZCUAOANJCC-BTTYYORXSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](C(F)(F)F)C1)C2 ZINC001169139409 811400794 /nfs/dbraw/zinc/40/07/94/811400794.db2.gz BUYGZTUVWBTTEC-YFKTTZPYSA-N 2 1 262.319 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H](C(F)(F)F)C1)C2 ZINC001169139409 811400795 /nfs/dbraw/zinc/40/07/95/811400795.db2.gz BUYGZTUVWBTTEC-YFKTTZPYSA-N 2 1 262.319 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H](C(F)(F)F)C1)C2 ZINC001169139409 811400798 /nfs/dbraw/zinc/40/07/98/811400798.db2.gz BUYGZTUVWBTTEC-YFKTTZPYSA-N 2 1 262.319 2.496 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)ncn3C)CCC[C@H]1C[NH3+] ZINC001206003591 811410729 /nfs/dbraw/zinc/41/07/29/811410729.db2.gz KACUEWQIGCRPDY-HIFRSBDPSA-N 2 1 286.423 2.380 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc([O-])c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206004090 811423112 /nfs/dbraw/zinc/42/31/12/811423112.db2.gz QAMPTPZMXMGZKI-GHMZBOCLSA-N 2 1 284.350 2.477 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccc(O)c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206004090 811423118 /nfs/dbraw/zinc/42/31/18/811423118.db2.gz QAMPTPZMXMGZKI-GHMZBOCLSA-N 2 1 284.350 2.477 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(O)c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206004090 811423123 /nfs/dbraw/zinc/42/31/23/811423123.db2.gz QAMPTPZMXMGZKI-GHMZBOCLSA-N 2 1 284.350 2.477 20 0 CEADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC001169230380 811444667 /nfs/dbraw/zinc/44/46/67/811444667.db2.gz ZZACBEISXIQJQE-OKILXGFUSA-N 2 1 282.428 2.182 20 0 CEADMP CC(C)COCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001172466253 815448955 /nfs/dbraw/zinc/44/89/55/815448955.db2.gz HLHKLZJZNLYZSI-KKUMJFAQSA-N 2 1 256.434 2.367 20 0 CEADMP CC(C)COCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001172466253 815448958 /nfs/dbraw/zinc/44/89/58/815448958.db2.gz HLHKLZJZNLYZSI-KKUMJFAQSA-N 2 1 256.434 2.367 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CCCC[C@@H]2CCOC)CC1 ZINC001169258554 811468516 /nfs/dbraw/zinc/46/85/16/811468516.db2.gz MBYFWEJDIYHAHF-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+]1CCC([N@H+]2CCCC[C@@H]2CCOC)CC1 ZINC001169258554 811468519 /nfs/dbraw/zinc/46/85/19/811468519.db2.gz MBYFWEJDIYHAHF-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001169449169 811514831 /nfs/dbraw/zinc/51/48/31/811514831.db2.gz PCVSWGLUJKRMFT-FPCVCCKLSA-N 2 1 295.471 2.238 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001169449169 811514839 /nfs/dbraw/zinc/51/48/39/811514839.db2.gz PCVSWGLUJKRMFT-FPCVCCKLSA-N 2 1 295.471 2.238 20 0 CEADMP Cc1c[nH+]c(NCC[C@H]2CCC[NH2+]2)c([Si](C)(C)C)c1 ZINC001169563240 811568162 /nfs/dbraw/zinc/56/81/62/811568162.db2.gz XZUPRECBDCANFR-CYBMUJFWSA-N 2 1 277.488 2.489 20 0 CEADMP CC(C)[N@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001046416074 811750802 /nfs/dbraw/zinc/75/08/02/811750802.db2.gz WACGMSJIPUOQMD-MRXNPFEDSA-N 2 1 286.379 2.166 20 0 CEADMP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108832629 811771865 /nfs/dbraw/zinc/77/18/65/811771865.db2.gz VSNZQMWWIGTOSO-XHSDSOJGSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046562397 811774813 /nfs/dbraw/zinc/77/48/13/811774813.db2.gz NCOOHHJIGLITSR-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001046562397 811774816 /nfs/dbraw/zinc/77/48/16/811774816.db2.gz NCOOHHJIGLITSR-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046562397 811774822 /nfs/dbraw/zinc/77/48/22/811774822.db2.gz NCOOHHJIGLITSR-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653748 811923708 /nfs/dbraw/zinc/92/37/08/811923708.db2.gz FMTVMVKZBJEQFF-WCVJEAGWSA-N 2 1 295.471 2.096 20 0 CEADMP N[C@@H]1CC[N@@H+](Cc2cccc3ccncc32)CC[C@@H]1F ZINC001206172530 815489114 /nfs/dbraw/zinc/48/91/14/815489114.db2.gz AKWHPRSJFADUQD-JKSUJKDBSA-N 2 1 273.355 2.496 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3ccncc32)CC[C@@H]1F ZINC001206172530 815489121 /nfs/dbraw/zinc/48/91/21/815489121.db2.gz AKWHPRSJFADUQD-JKSUJKDBSA-N 2 1 273.355 2.496 20 0 CEADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001172743530 815500480 /nfs/dbraw/zinc/50/04/80/815500480.db2.gz BKDMXYLUWQOXQL-HSBZDZAISA-N 2 1 270.417 2.308 20 0 CEADMP CC(C)OC(=O)CC[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001172746656 815501270 /nfs/dbraw/zinc/50/12/70/815501270.db2.gz REGAKNORUSYDKU-UONOGXRCSA-N 2 1 270.417 2.181 20 0 CEADMP CCCCCCN1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001113019516 812145686 /nfs/dbraw/zinc/14/56/86/812145686.db2.gz RMCZLPBRYIICBV-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001113019516 812145690 /nfs/dbraw/zinc/14/56/90/812145690.db2.gz RMCZLPBRYIICBV-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001113035427 812149049 /nfs/dbraw/zinc/14/90/49/812149049.db2.gz ZIFGUAPSVYXIEE-UHFFFAOYSA-N 2 1 297.487 2.441 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001113035427 812149051 /nfs/dbraw/zinc/14/90/51/812149051.db2.gz ZIFGUAPSVYXIEE-UHFFFAOYSA-N 2 1 297.487 2.441 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+](CC2CCCC2)CC1 ZINC001113033104 812149439 /nfs/dbraw/zinc/14/94/39/812149439.db2.gz ZPESEPSNTHOXON-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(C)C)[NH+](C)C ZINC001049727552 812200602 /nfs/dbraw/zinc/20/06/02/812200602.db2.gz KCFMACZMOMWGCA-XHSDSOJGSA-N 2 1 295.471 2.048 20 0 CEADMP CCC/C=C\CC[NH+]1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001113499014 812263337 /nfs/dbraw/zinc/26/33/37/812263337.db2.gz DLSFLDFFVWMORN-FPLPWBNLSA-N 2 1 295.471 2.219 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC001172792229 815524122 /nfs/dbraw/zinc/52/41/22/815524122.db2.gz PSHJUEHIHZCLKP-HZPDHXFCSA-N 2 1 296.455 2.382 20 0 CEADMP Cc1ccc2c(c1)C[C@@H](n1c[nH+]cc1CC[NH3+])CC2 ZINC001172823912 815527071 /nfs/dbraw/zinc/52/70/71/815527071.db2.gz MMXLKDBVHJWAQQ-HNNXBMFYSA-N 2 1 255.365 2.423 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC1CCCCC1 ZINC001130422076 812566784 /nfs/dbraw/zinc/56/67/84/812566784.db2.gz VUQVYQURCQOBRS-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C1(C[NH3+])CC1 ZINC001172850053 815537687 /nfs/dbraw/zinc/53/76/87/815537687.db2.gz SSGZBLHMUVWFFI-SECBINFHSA-N 2 1 256.752 2.491 20 0 CEADMP CCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130709240 812599305 /nfs/dbraw/zinc/59/93/05/812599305.db2.gz XWQFZXSKDBYNAO-OAHLLOKOSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@@H](Nc1[nH+]ccc2cc(F)ccc21)[C@@H]1C[NH2+]CCO1 ZINC001170565362 812683020 /nfs/dbraw/zinc/68/30/20/812683020.db2.gz UZSMAYRONHXHJP-YGRLFVJLSA-N 2 1 275.327 2.163 20 0 CEADMP CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001050325416 812807802 /nfs/dbraw/zinc/80/78/02/812807802.db2.gz CDTOPLLQKORFGK-BZUAXINKSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCC1CC1 ZINC001132248227 812808103 /nfs/dbraw/zinc/80/81/03/812808103.db2.gz DJEPXTNEKCALGX-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001050385341 812812150 /nfs/dbraw/zinc/81/21/50/812812150.db2.gz AJZHWDSMVMDXTH-BZUAXINKSA-N 2 1 295.471 2.001 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132269416 812814897 /nfs/dbraw/zinc/81/48/97/812814897.db2.gz JTNGVYYYIQGIIK-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC=C(C)C)C1 ZINC001132411452 812845397 /nfs/dbraw/zinc/84/53/97/812845397.db2.gz ZTOKOJWSCXTNQF-CVEARBPZSA-N 2 1 295.471 2.264 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC=C(C)C)C1 ZINC001132411452 812845407 /nfs/dbraw/zinc/84/54/07/812845407.db2.gz ZTOKOJWSCXTNQF-CVEARBPZSA-N 2 1 295.471 2.264 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132411452 812845417 /nfs/dbraw/zinc/84/54/17/812845417.db2.gz ZTOKOJWSCXTNQF-CVEARBPZSA-N 2 1 295.471 2.264 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2CC2)C1 ZINC001132411437 812846188 /nfs/dbraw/zinc/84/61/88/812846188.db2.gz ZKBUCJLOVYSZFZ-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132411437 812846197 /nfs/dbraw/zinc/84/61/97/812846197.db2.gz ZKBUCJLOVYSZFZ-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2CC2)C1 ZINC001132411437 812846206 /nfs/dbraw/zinc/84/62/06/812846206.db2.gz ZKBUCJLOVYSZFZ-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132434437 812850661 /nfs/dbraw/zinc/85/06/61/812850661.db2.gz WVOSYBCTQVDHLL-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001172948852 815562662 /nfs/dbraw/zinc/56/26/62/815562662.db2.gz CTNBBJHQTGWGSM-STQMWFEESA-N 2 1 285.432 2.055 20 0 CEADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@H+]1CCC[C@H]1C[NH3+] ZINC001172948852 815562663 /nfs/dbraw/zinc/56/26/63/815562663.db2.gz CTNBBJHQTGWGSM-STQMWFEESA-N 2 1 285.432 2.055 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(O)cc23)CC[C@H]1F ZINC001206185025 815565658 /nfs/dbraw/zinc/56/56/58/815565658.db2.gz KMWBMCHHSVJBSJ-ZIAGYGMSSA-N 2 1 277.343 2.135 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](C(C)C)CC2)CC[N@H+]1C ZINC001052394905 812987261 /nfs/dbraw/zinc/98/72/61/812987261.db2.gz HFUXKHVPBIFIFY-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](C(C)C)CC2)CC[NH+]1C ZINC001052394905 812987266 /nfs/dbraw/zinc/98/72/66/812987266.db2.gz HFUXKHVPBIFIFY-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](C(C)C)CC2)CC[NH+]1C ZINC001052394905 812987269 /nfs/dbraw/zinc/98/72/69/812987269.db2.gz HFUXKHVPBIFIFY-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C3CCC4(CCOCC4)CC3)C[C@@H]2C1 ZINC001173047689 815570734 /nfs/dbraw/zinc/57/07/34/815570734.db2.gz CZYFECFHOIQAPR-GASCZTMLSA-N 2 1 278.440 2.219 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C3CCC4(CCOCC4)CC3)C[C@@H]2C1 ZINC001173047689 815570737 /nfs/dbraw/zinc/57/07/37/815570737.db2.gz CZYFECFHOIQAPR-GASCZTMLSA-N 2 1 278.440 2.219 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C3CCC4(CCOCC4)CC3)C[C@@H]2C1 ZINC001173047689 815570741 /nfs/dbraw/zinc/57/07/41/815570741.db2.gz CZYFECFHOIQAPR-GASCZTMLSA-N 2 1 278.440 2.219 20 0 CEADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCCC2CCCC2)C1 ZINC001133845962 813165054 /nfs/dbraw/zinc/16/50/54/813165054.db2.gz QTXGCAQQKCVYKS-HNNXBMFYSA-N 2 1 295.471 2.004 20 0 CEADMP CC[C@H](C)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134762953 813322084 /nfs/dbraw/zinc/32/20/84/813322084.db2.gz ITIAXHCGUQMDDV-GJZGRUSLSA-N 2 1 283.460 2.001 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001134774405 813323230 /nfs/dbraw/zinc/32/32/30/813323230.db2.gz YDBOVDFKJMWKHW-KGLIPLIRSA-N 2 1 297.487 2.390 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135102932 813367088 /nfs/dbraw/zinc/36/70/88/813367088.db2.gz QRIGOEIBHIOVRJ-JKSUJKDBSA-N 2 1 295.471 2.145 20 0 CEADMP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477100 813446855 /nfs/dbraw/zinc/44/68/55/813446855.db2.gz QTNWHRCLGOHNAY-GJZGRUSLSA-N 2 1 297.487 2.391 20 0 CEADMP CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135599934 813475815 /nfs/dbraw/zinc/47/58/15/813475815.db2.gz HMXSLBBYEHEMRM-ZIAGYGMSSA-N 2 1 294.443 2.289 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001135860433 813548478 /nfs/dbraw/zinc/54/84/78/813548478.db2.gz BKBYGPAKYWXSMY-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001135980875 813578118 /nfs/dbraw/zinc/57/81/18/813578118.db2.gz UJTBSZUHPMGNFX-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086820142 813624600 /nfs/dbraw/zinc/62/46/00/813624600.db2.gz RFFUMICDFKJBLM-XHSDSOJGSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2)CC[C@H]1C[NH3+] ZINC001246024888 813664083 /nfs/dbraw/zinc/66/40/83/813664083.db2.gz WGYOJRGMCWFBNL-KBMXLJTQSA-N 2 1 262.397 2.027 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C2(C)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246125784 813708713 /nfs/dbraw/zinc/70/87/13/813708713.db2.gz GYSOTLNFYROEKH-BTTYYORXSA-N 3 1 253.434 2.027 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C)C1 ZINC001246208860 813730276 /nfs/dbraw/zinc/73/02/76/813730276.db2.gz VPLPEEFZDXRFNX-UPJWGTAASA-N 2 1 270.417 2.214 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC=C(Br)C2)CC1 ZINC000691551963 813758499 /nfs/dbraw/zinc/75/84/99/813758499.db2.gz FBGQLQDQJOGKJY-UHFFFAOYSA-N 2 1 273.218 2.313 20 0 CEADMP CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001074825735 813858344 /nfs/dbraw/zinc/85/83/44/813858344.db2.gz FEOOEZIGUWFHDP-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246504377 813879270 /nfs/dbraw/zinc/87/92/70/813879270.db2.gz PURAUBXVKAMCCJ-YHUYYLMFSA-N 3 1 267.461 2.370 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246540803 813954847 /nfs/dbraw/zinc/95/48/47/813954847.db2.gz TZBMZMGAVHLYJA-UPJWGTAASA-N 2 1 284.400 2.153 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246540803 813954852 /nfs/dbraw/zinc/95/48/52/813954852.db2.gz TZBMZMGAVHLYJA-UPJWGTAASA-N 2 1 284.400 2.153 20 0 CEADMP CC(C)=CCC[C@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246544602 813964474 /nfs/dbraw/zinc/96/44/74/813964474.db2.gz RJIYIPIBBZXXCH-LSDHHAIUSA-N 2 1 254.418 2.297 20 0 CEADMP c1cc2ccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)nc2[nH]1 ZINC001144169244 813979251 /nfs/dbraw/zinc/97/92/51/813979251.db2.gz BXYBCOOLDPDMLM-UHFFFAOYSA-N 2 1 293.374 2.280 20 0 CEADMP C[C@@H]1CC[NH2+]CC[N@@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001246548706 813997222 /nfs/dbraw/zinc/99/72/22/813997222.db2.gz GBYIDGKTUSYRRR-OCCSQVGLSA-N 2 1 262.372 2.367 20 0 CEADMP C[C@@H]1CC[NH2+]CC[N@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001246548706 813997228 /nfs/dbraw/zinc/99/72/28/813997228.db2.gz GBYIDGKTUSYRRR-OCCSQVGLSA-N 2 1 262.372 2.367 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)CCC[C@H]1C[NH3+] ZINC001246565727 814057774 /nfs/dbraw/zinc/05/77/74/814057774.db2.gz ICAAJBYTGKLHPM-QXSJWSMHSA-N 3 1 281.488 2.460 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CCC[C@@H]1C[NH3+] ZINC001246565686 814060633 /nfs/dbraw/zinc/06/06/33/814060633.db2.gz ICAAJBYTGKLHPM-KLHDSHLOSA-N 3 1 281.488 2.460 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@]12CCOC2 ZINC001255968296 814065514 /nfs/dbraw/zinc/06/55/14/814065514.db2.gz XELFAQCNNZVXIQ-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246567967 814071929 /nfs/dbraw/zinc/07/19/29/814071929.db2.gz NIUZNOAVZITZOL-HZPDHXFCSA-N 3 1 281.488 2.414 20 0 CEADMP CC(C)CN1CCC([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246567967 814071933 /nfs/dbraw/zinc/07/19/33/814071933.db2.gz NIUZNOAVZITZOL-HZPDHXFCSA-N 2 1 281.488 2.414 20 0 CEADMP CC(C)CN1CCC([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246567967 814071939 /nfs/dbraw/zinc/07/19/39/814071939.db2.gz NIUZNOAVZITZOL-HZPDHXFCSA-N 2 1 281.488 2.414 20 0 CEADMP COc1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC001144461804 814078339 /nfs/dbraw/zinc/07/83/39/814078339.db2.gz DCXDPRYTFKTPDN-UHFFFAOYSA-N 2 1 281.375 2.003 20 0 CEADMP CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001100468538 814132453 /nfs/dbraw/zinc/13/24/53/814132453.db2.gz COSJTTAHNHRAGM-UHFFFAOYSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246579333 814145259 /nfs/dbraw/zinc/14/52/59/814145259.db2.gz UPJWSVNMDHLHGU-ORIJERBGSA-N 2 1 264.413 2.195 20 0 CEADMP C[N@@H+]1C[C@H]2CN(Cc3ccc4scnc4c3)C[C@H]2C1 ZINC001144743361 814178224 /nfs/dbraw/zinc/17/82/24/814178224.db2.gz KGYFBYHZQVDWST-BETUJISGSA-N 2 1 273.405 2.290 20 0 CEADMP C[NH+]1CCC([NH2+]CCc2ncccc2Br)CC1 ZINC001256201473 814183498 /nfs/dbraw/zinc/18/34/98/814183498.db2.gz DURUBQNESKKHOV-UHFFFAOYSA-N 2 1 298.228 2.070 20 0 CEADMP CCc1nc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)cc(C)[nH+]1 ZINC001160743800 814217103 /nfs/dbraw/zinc/21/71/03/814217103.db2.gz NZJAGPUVCTUQQQ-NXEZZACHSA-N 2 1 288.317 2.300 20 0 CEADMP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246857501 814297311 /nfs/dbraw/zinc/29/73/11/814297311.db2.gz ADNBHNXVCGLWGT-IUOOZAAYSA-N 2 1 268.445 2.497 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CCC3(CCCOC3)CC2)CC[NH2+]1 ZINC001246900834 814354883 /nfs/dbraw/zinc/35/48/83/814354883.db2.gz XLIXIYMXJAXKJA-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C)[NH+](C)C ZINC001102381772 814384730 /nfs/dbraw/zinc/38/47/30/814384730.db2.gz BGCRHOVFMXFPOW-OAGGEKHMSA-N 2 1 297.487 2.057 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cc1ccccn1 ZINC000699647831 814666481 /nfs/dbraw/zinc/66/64/81/814666481.db2.gz VQSABKOLTOAUNQ-CYBMUJFWSA-N 2 1 258.369 2.197 20 0 CEADMP Cc1ccc(-c2noc([C@H]([NH3+])CCC[NH3+])n2)c(Cl)c1 ZINC001247510287 814684057 /nfs/dbraw/zinc/68/40/57/814684057.db2.gz ZGEIODFBNVDSIH-LLVKDONJSA-N 2 1 280.759 2.437 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](C(=O)OC)C2)CC1 ZINC001173109649 815582182 /nfs/dbraw/zinc/58/21/82/815582182.db2.gz IWTSFOPRBYKSPK-NFOMZHRRSA-N 2 1 282.428 2.134 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](O)[C@H](F)C2)CC1 ZINC001173110237 815582789 /nfs/dbraw/zinc/58/27/89/815582789.db2.gz QIDXFXKQLLUHHB-NEXFUWMNSA-N 2 1 272.408 2.044 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC000712508796 814753662 /nfs/dbraw/zinc/75/36/62/814753662.db2.gz HEKINYFGGNWCCF-SOUVJXGZSA-N 2 1 264.413 2.020 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC000712508796 814753666 /nfs/dbraw/zinc/75/36/66/814753666.db2.gz HEKINYFGGNWCCF-SOUVJXGZSA-N 2 1 264.413 2.020 20 0 CEADMP Cc1[nH+]ccn1CCCOc1ccc2c(c1)C[NH2+]C2 ZINC000713010292 814841669 /nfs/dbraw/zinc/84/16/69/814841669.db2.gz SUJVRAHELRMWTB-UHFFFAOYSA-N 2 1 257.337 2.264 20 0 CEADMP FC(F)(F)OCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000713413155 814852028 /nfs/dbraw/zinc/85/20/28/814852028.db2.gz ZMRWPWCVSQTKHD-NEPJUHHUSA-N 2 1 280.334 2.377 20 0 CEADMP FC(F)(F)OCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000713413155 814852035 /nfs/dbraw/zinc/85/20/35/814852035.db2.gz ZMRWPWCVSQTKHD-NEPJUHHUSA-N 2 1 280.334 2.377 20 0 CEADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2cc(F)ccc2F)no1 ZINC001247694184 814902228 /nfs/dbraw/zinc/90/22/28/814902228.db2.gz ZHBKIGIDOWBIKR-NSHDSACASA-N 2 1 282.294 2.144 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000714766427 814915057 /nfs/dbraw/zinc/91/50/57/814915057.db2.gz WAUQNUIPOLITEK-UHFFFAOYSA-N 2 1 278.396 2.407 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)CO2 ZINC001173149871 815607212 /nfs/dbraw/zinc/60/72/12/815607212.db2.gz XPWOYHRVUXIYMJ-KBPBESRZSA-N 2 1 290.407 2.073 20 0 CEADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC001173171238 815622590 /nfs/dbraw/zinc/62/25/90/815622590.db2.gz IWIPRSDSQMWGHN-QPSCCSFWSA-N 2 1 254.418 2.262 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(F)nc3)C2)CC1 ZINC001137741435 815675862 /nfs/dbraw/zinc/67/58/62/815675862.db2.gz AJGBVZWOEGACEZ-UHFFFAOYSA-N 2 1 263.360 2.138 20 0 CEADMP CC[N@H+]1CC[C@@H](N[C@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001173353103 815679185 /nfs/dbraw/zinc/67/91/85/815679185.db2.gz IQBJRUDRZMDKAQ-SJORKVTESA-N 2 1 279.472 2.325 20 0 CEADMP CC[NH+]1CC[C@@H](N[C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001173353103 815679190 /nfs/dbraw/zinc/67/91/90/815679190.db2.gz IQBJRUDRZMDKAQ-SJORKVTESA-N 2 1 279.472 2.325 20 0 CEADMP CC[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001173353103 815679195 /nfs/dbraw/zinc/67/91/95/815679195.db2.gz IQBJRUDRZMDKAQ-SJORKVTESA-N 2 1 279.472 2.325 20 0 CEADMP CC[N@H+]1CC[C@@H](n2cc(CC[NH3+])c3cc(OC)ccc32)C1 ZINC001173348890 815684952 /nfs/dbraw/zinc/68/49/52/815684952.db2.gz WBMGOLNCCROKEM-CQSZACIVSA-N 2 1 287.407 2.418 20 0 CEADMP CC[N@H+]1CC[C@@H](n2c(CC[NH3+])cc3ccccc32)C1 ZINC001173360514 815700802 /nfs/dbraw/zinc/70/08/02/815700802.db2.gz OUBYLASDQWLSPV-OAHLLOKOSA-N 2 1 257.381 2.409 20 0 CEADMP CC[N@H+]1CC[C@H](n2c(CC[NH3+])cc3ccccc32)C1 ZINC001173360512 815701964 /nfs/dbraw/zinc/70/19/64/815701964.db2.gz OUBYLASDQWLSPV-HNNXBMFYSA-N 2 1 257.381 2.409 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC001173375818 815708892 /nfs/dbraw/zinc/70/88/92/815708892.db2.gz XYYPLWXOXMPTLO-QYZOEREBSA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001173375818 815708895 /nfs/dbraw/zinc/70/88/95/815708895.db2.gz XYYPLWXOXMPTLO-QYZOEREBSA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001173375818 815708900 /nfs/dbraw/zinc/70/89/00/815708900.db2.gz XYYPLWXOXMPTLO-QYZOEREBSA-N 2 1 299.462 2.287 20 0 CEADMP Cc1c[nH+]c(CC[NH3+])n1C1Cc2cc(F)c(F)cc2C1 ZINC001173474750 815724026 /nfs/dbraw/zinc/72/40/26/815724026.db2.gz HKRZBNDGMCEBKC-UHFFFAOYSA-N 2 1 277.318 2.311 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173479738 815726414 /nfs/dbraw/zinc/72/64/14/815726414.db2.gz MGFDGEIRKWMUQH-MGPLVRAMSA-N 2 1 280.362 2.362 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173479738 815726415 /nfs/dbraw/zinc/72/64/15/815726415.db2.gz MGFDGEIRKWMUQH-MGPLVRAMSA-N 2 1 280.362 2.362 20 0 CEADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](C)C[C@H](C)C[NH3+])CC2 ZINC001173606795 815761150 /nfs/dbraw/zinc/76/11/50/815761150.db2.gz RAKCONHXIFFGFM-RXFTYZNJSA-N 2 1 282.428 2.025 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)C1 ZINC001173636026 815774206 /nfs/dbraw/zinc/77/42/06/815774206.db2.gz FJHCHRJLGXCAJM-ILXRZTDVSA-N 2 1 282.428 2.182 20 0 CEADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(N(C)C)s3)C[C@H]2C1 ZINC001138495125 815816032 /nfs/dbraw/zinc/81/60/32/815816032.db2.gz SEHNBZNDENQLRB-CHWSQXEVSA-N 2 1 279.453 2.198 20 0 CEADMP COC(=O)CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138550107 815824716 /nfs/dbraw/zinc/82/47/16/815824716.db2.gz JGCIYBNIXANSIG-UHFFFAOYSA-N 2 1 287.363 2.176 20 0 CEADMP COC(=O)CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138550107 815824722 /nfs/dbraw/zinc/82/47/22/815824722.db2.gz JGCIYBNIXANSIG-UHFFFAOYSA-N 2 1 287.363 2.176 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cnc4[nH]ccc4c3)C[C@@H]2C1 ZINC001138739732 815883130 /nfs/dbraw/zinc/88/31/30/815883130.db2.gz FAKRBKZXAITZCT-HOTGVXAUSA-N 2 1 284.407 2.337 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(Cc3cnc4[nH]ccc4c3)C2)C1 ZINC001138737657 815883905 /nfs/dbraw/zinc/88/39/05/815883905.db2.gz KDHDDENNFFSEKP-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cnc4[nH]ccc4c3)C2)C1 ZINC001138737657 815883922 /nfs/dbraw/zinc/88/39/22/815883922.db2.gz KDHDDENNFFSEKP-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cnc4[nH]ccc4c3)C2)C1 ZINC001138737657 815883930 /nfs/dbraw/zinc/88/39/30/815883930.db2.gz KDHDDENNFFSEKP-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+](C)CCN1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC001139059560 815951097 /nfs/dbraw/zinc/95/10/97/815951097.db2.gz CPIOPMQXPQTBPR-UHFFFAOYSA-N 2 1 287.407 2.112 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC001202973200 816115840 /nfs/dbraw/zinc/11/58/40/816115840.db2.gz BXPGHIDDKPOHRG-UHFFFAOYSA-N 2 1 297.487 2.488 20 0 CEADMP COCc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)s1 ZINC001139830396 816120580 /nfs/dbraw/zinc/12/05/80/816120580.db2.gz AMQOBJSLBFPXQI-OAHLLOKOSA-N 2 1 280.437 2.422 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)s1 ZINC001139830396 816120582 /nfs/dbraw/zinc/12/05/82/816120582.db2.gz AMQOBJSLBFPXQI-OAHLLOKOSA-N 2 1 280.437 2.422 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)s1 ZINC001139830396 816120584 /nfs/dbraw/zinc/12/05/84/816120584.db2.gz AMQOBJSLBFPXQI-OAHLLOKOSA-N 2 1 280.437 2.422 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)s1 ZINC001139830396 816120587 /nfs/dbraw/zinc/12/05/87/816120587.db2.gz AMQOBJSLBFPXQI-OAHLLOKOSA-N 2 1 280.437 2.422 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175265197 816164621 /nfs/dbraw/zinc/16/46/21/816164621.db2.gz XVDAVWPYYPBMMN-GJZGRUSLSA-N 2 1 283.460 2.003 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]c4cccc(O)c34)C2)C1 ZINC001140235061 816213082 /nfs/dbraw/zinc/21/30/82/816213082.db2.gz PYWOTMMGHKPOQI-QGZVFWFLSA-N 2 1 285.391 2.401 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]c4cccc(O)c34)C2)C1 ZINC001140235061 816213089 /nfs/dbraw/zinc/21/30/89/816213089.db2.gz PYWOTMMGHKPOQI-QGZVFWFLSA-N 2 1 285.391 2.401 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c[nH]c4cccc(O)c34)C2)C1 ZINC001140235061 816213096 /nfs/dbraw/zinc/21/30/96/816213096.db2.gz PYWOTMMGHKPOQI-QGZVFWFLSA-N 2 1 285.391 2.401 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c[nH]c4cccc(O)c34)C2)C1 ZINC001140235061 816213102 /nfs/dbraw/zinc/21/31/02/816213102.db2.gz PYWOTMMGHKPOQI-QGZVFWFLSA-N 2 1 285.391 2.401 20 0 CEADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccncc2O)CC1 ZINC001140277476 816222176 /nfs/dbraw/zinc/22/21/76/816222176.db2.gz ATRCMIRKUYEXCD-UHFFFAOYSA-N 2 1 277.412 2.339 20 0 CEADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccncc2O)CC1 ZINC001140277476 816222181 /nfs/dbraw/zinc/22/21/81/816222181.db2.gz ATRCMIRKUYEXCD-UHFFFAOYSA-N 2 1 277.412 2.339 20 0 CEADMP Cc1ccc2[nH]nc(C[NH+]3CC4(C3)CC[NH+](C)CC4)c2c1 ZINC001140333970 816235669 /nfs/dbraw/zinc/23/56/69/816235669.db2.gz YGXIXPYHFHHUPH-UHFFFAOYSA-N 2 1 284.407 2.399 20 0 CEADMP CN1CCN(c2cc[nH+]cc2Nc2ccc(C[NH3+])cc2)CC1 ZINC001175967860 816310330 /nfs/dbraw/zinc/31/03/30/816310330.db2.gz YRBDGHZZLVAAGN-UHFFFAOYSA-N 2 1 297.406 2.036 20 0 CEADMP O=C1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4ccncc34)C[C@H]12 ZINC001140806300 816366315 /nfs/dbraw/zinc/36/63/15/816366315.db2.gz FNTRCWYEEXIQDI-RISCZKNCSA-N 2 1 269.348 2.364 20 0 CEADMP O=C1CCC[C@@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]12 ZINC001140806300 816366343 /nfs/dbraw/zinc/36/63/43/816366343.db2.gz FNTRCWYEEXIQDI-RISCZKNCSA-N 2 1 269.348 2.364 20 0 CEADMP O=C1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]12 ZINC001140806300 816366346 /nfs/dbraw/zinc/36/63/46/816366346.db2.gz FNTRCWYEEXIQDI-RISCZKNCSA-N 2 1 269.348 2.364 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001140805237 816368430 /nfs/dbraw/zinc/36/84/30/816368430.db2.gz XLTQNQXHIBZMNF-NHYWBVRUSA-N 2 1 257.337 2.174 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001140805237 816368440 /nfs/dbraw/zinc/36/84/40/816368440.db2.gz XLTQNQXHIBZMNF-NHYWBVRUSA-N 2 1 257.337 2.174 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(O)c(F)c3F)C[C@@H]2C1 ZINC001140889731 816398023 /nfs/dbraw/zinc/39/80/23/816398023.db2.gz ZNLUGOGOTGNBSR-PWSUYJOCSA-N 2 1 282.334 2.054 20 0 CEADMP C[N@@H+]1CC[C@@H]2CN(Cc3ccc([O-])c(F)c3F)C[C@@H]2C1 ZINC001140889731 816398030 /nfs/dbraw/zinc/39/80/30/816398030.db2.gz ZNLUGOGOTGNBSR-PWSUYJOCSA-N 2 1 282.334 2.054 20 0 CEADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563142 816441723 /nfs/dbraw/zinc/44/17/23/816441723.db2.gz BHOWUPIPRNSZQZ-HZPDHXFCSA-N 2 1 297.487 2.393 20 0 CEADMP Cc1ccc(-c2noc([C@@H]([NH3+])CSCC[NH3+])n2)c(C)c1 ZINC001206624936 816496985 /nfs/dbraw/zinc/49/69/85/816496985.db2.gz DCUTVJKZYXZPCT-LBPRGKRZSA-N 2 1 292.408 2.045 20 0 CEADMP C[NH+](C)CCO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001206288128 816497342 /nfs/dbraw/zinc/49/73/42/816497342.db2.gz WACLHFGETRDIPX-FGTMMUONSA-N 2 1 288.435 2.475 20 0 CEADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H](OCC[NH+](C)C)C1 ZINC001206288580 816503687 /nfs/dbraw/zinc/50/36/87/816503687.db2.gz YZCRFGCZNWSDTL-CABCVRRESA-N 2 1 277.412 2.185 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCCC[NH+](C)C ZINC001206302014 816552874 /nfs/dbraw/zinc/55/28/74/816552874.db2.gz CMWRRHZJAYLZRK-RDJZCZTQSA-N 2 1 276.424 2.475 20 0 CEADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045658 816663359 /nfs/dbraw/zinc/66/33/59/816663359.db2.gz RAIDAGOVOQBYQX-OAHLLOKOSA-N 2 1 283.460 2.003 20 0 CEADMP Cc1c[nH]c(=O)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206318442 816689499 /nfs/dbraw/zinc/68/94/99/816689499.db2.gz PMXAIGFALAUBOM-OAHLLOKOSA-N 2 1 263.385 2.047 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3cncn32)CC1 ZINC001206327067 816736894 /nfs/dbraw/zinc/73/68/94/816736894.db2.gz RXCNDJXKAFPYQJ-MRXNPFEDSA-N 2 1 272.396 2.285 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cccc3c[nH+]cn32)CC1 ZINC001206327067 816736897 /nfs/dbraw/zinc/73/68/97/816736897.db2.gz RXCNDJXKAFPYQJ-MRXNPFEDSA-N 3 1 272.396 2.285 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3c[nH+]cn32)CC1 ZINC001206327067 816736899 /nfs/dbraw/zinc/73/68/99/816736899.db2.gz RXCNDJXKAFPYQJ-MRXNPFEDSA-N 3 1 272.396 2.285 20 0 CEADMP C[NH+]1CCC2(C[NH+](Cc3cc(F)ccc3F)C2)CC1 ZINC001204219867 816764104 /nfs/dbraw/zinc/76/41/04/816764104.db2.gz FQYAMUATQKVBFX-UHFFFAOYSA-N 2 1 266.335 2.492 20 0 CEADMP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001178700903 816785112 /nfs/dbraw/zinc/78/51/12/816785112.db2.gz BUDRLXIAERIYSN-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]C[C@H](C)CC(C)C ZINC001161226589 816814822 /nfs/dbraw/zinc/81/48/22/816814822.db2.gz KASZZTOXQWHPHZ-OAHLLOKOSA-N 2 1 299.503 2.495 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000601281530 346812346 /nfs/dbraw/zinc/81/23/46/346812346.db2.gz POJHXRLUVQPUMU-HLIUYOAVSA-N 2 1 282.428 2.040 20 0 CEADMP COCC1CCC([NH2+]C[C@H](C2CC2)[NH+](C)C)CC1 ZINC000449089429 282095413 /nfs/dbraw/zinc/09/54/13/282095413.db2.gz KHCCRAJMWFWPQW-PESDSKBTSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+]2CCC[C@@H]2C1 ZINC000336323198 365557923 /nfs/dbraw/zinc/55/79/23/365557923.db2.gz LUVHWVQKUHJEFM-HZPDHXFCSA-N 2 1 265.445 2.029 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336323198 365557932 /nfs/dbraw/zinc/55/79/32/365557932.db2.gz LUVHWVQKUHJEFM-HZPDHXFCSA-N 2 1 265.445 2.029 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000336323198 365557935 /nfs/dbraw/zinc/55/79/35/365557935.db2.gz LUVHWVQKUHJEFM-HZPDHXFCSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC000121383870 365560970 /nfs/dbraw/zinc/56/09/70/365560970.db2.gz MHLOGFIMVQPBTJ-CYBMUJFWSA-N 2 1 250.361 2.252 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC000121383870 365560975 /nfs/dbraw/zinc/56/09/75/365560975.db2.gz MHLOGFIMVQPBTJ-CYBMUJFWSA-N 2 1 250.361 2.252 20 0 CEADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)sc1C ZINC000127737984 187330478 /nfs/dbraw/zinc/33/04/78/187330478.db2.gz PFKJTZYYWNKHGL-GWCFXTLKSA-N 2 1 267.442 2.232 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000567639963 299069722 /nfs/dbraw/zinc/06/97/22/299069722.db2.gz NJWNYKKXNQMWQJ-HZSPNIEDSA-N 2 1 263.385 2.247 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000124763753 187152359 /nfs/dbraw/zinc/15/23/59/187152359.db2.gz QEGZSSCOLHSVAM-UHFFFAOYSA-N 2 1 256.777 2.390 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000124763753 187152360 /nfs/dbraw/zinc/15/23/60/187152360.db2.gz QEGZSSCOLHSVAM-UHFFFAOYSA-N 2 1 256.777 2.390 20 0 CEADMP C[C@H](Cc1ccoc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000449131584 282112056 /nfs/dbraw/zinc/11/20/56/282112056.db2.gz NYLDQQVTCIPYKQ-OAHLLOKOSA-N 2 1 292.423 2.445 20 0 CEADMP [NH3+][C@H]1C[C@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000567653727 299071504 /nfs/dbraw/zinc/07/15/04/299071504.db2.gz MGGMPVWFJDQCSH-NXOAAHMSSA-N 2 1 271.408 2.109 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000449155413 282123243 /nfs/dbraw/zinc/12/32/43/282123243.db2.gz PQESUUPVQLKOSU-HUUCEWRRSA-N 2 1 297.487 2.105 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000125331815 365671104 /nfs/dbraw/zinc/67/11/04/365671104.db2.gz WNCAKARJDHCAQR-ZBFHGGJFSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([NH2+]CCC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000125331815 365671107 /nfs/dbraw/zinc/67/11/07/365671107.db2.gz WNCAKARJDHCAQR-ZBFHGGJFSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)CC[C@@H](O)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000567678970 299073534 /nfs/dbraw/zinc/07/35/34/299073534.db2.gz GPXPFOLAMZIXEW-MRXNPFEDSA-N 2 1 298.471 2.018 20 0 CEADMP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)CC(C)C ZINC000125558190 365678875 /nfs/dbraw/zinc/67/88/75/365678875.db2.gz YMLIZMALANLIHX-KKUMJFAQSA-N 2 1 299.459 2.077 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000125600116 365680076 /nfs/dbraw/zinc/68/00/76/365680076.db2.gz XMYVEBXUXXAHPP-PMPSAXMXSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000125600116 365680077 /nfs/dbraw/zinc/68/00/77/365680077.db2.gz XMYVEBXUXXAHPP-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000125600116 365680079 /nfs/dbraw/zinc/68/00/79/365680079.db2.gz XMYVEBXUXXAHPP-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)COC(C)C)c1 ZINC000567681335 299074648 /nfs/dbraw/zinc/07/46/48/299074648.db2.gz PMZONEXEIGZVID-QGZVFWFLSA-N 2 1 294.439 2.014 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000037621233 361913911 /nfs/dbraw/zinc/91/39/11/361913911.db2.gz FEKLHBKNQTUIKR-QGZVFWFLSA-N 2 1 291.439 2.142 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnc(C)nc2C)C1 ZINC000121822516 539031150 /nfs/dbraw/zinc/03/11/50/539031150.db2.gz FFJVWOGKJFLUKU-SWLSCSKDSA-N 2 1 276.428 2.476 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnc(C)nc2C)C1 ZINC000121822516 539031151 /nfs/dbraw/zinc/03/11/51/539031151.db2.gz FFJVWOGKJFLUKU-SWLSCSKDSA-N 2 1 276.428 2.476 20 0 CEADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccn(C)n1 ZINC000338014604 214361386 /nfs/dbraw/zinc/36/13/86/214361386.db2.gz VSXUOSIBVFZNIC-ZDUSSCGKSA-N 2 1 261.373 2.056 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4ccoc43)C[C@@H]2C1 ZINC000449288906 282173455 /nfs/dbraw/zinc/17/34/55/282173455.db2.gz PFQXQIZBMFITNS-GASCZTMLSA-N 2 1 256.349 2.426 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4ccoc43)C[C@@H]2C1 ZINC000449288906 282173456 /nfs/dbraw/zinc/17/34/56/282173456.db2.gz PFQXQIZBMFITNS-GASCZTMLSA-N 2 1 256.349 2.426 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc4ccoc43)C[C@@H]2C1 ZINC000449288906 282173458 /nfs/dbraw/zinc/17/34/58/282173458.db2.gz PFQXQIZBMFITNS-GASCZTMLSA-N 2 1 256.349 2.426 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621666386 349655819 /nfs/dbraw/zinc/65/58/19/349655819.db2.gz OBCHGRMRYXHCLA-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000153763584 539166091 /nfs/dbraw/zinc/16/60/91/539166091.db2.gz SUOJYRVIWBURSB-INIZCTEOSA-N 2 1 280.387 2.371 20 0 CEADMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000226434513 539170654 /nfs/dbraw/zinc/17/06/54/539170654.db2.gz ODGPTTZFSYIFAV-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000226434513 539170655 /nfs/dbraw/zinc/17/06/55/539170655.db2.gz ODGPTTZFSYIFAV-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000261595806 539185467 /nfs/dbraw/zinc/18/54/67/539185467.db2.gz OJAHOOPITYZBKN-HUUCEWRRSA-N 2 1 260.381 2.045 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)nc2)[C@H](C)C1 ZINC000130500077 539205674 /nfs/dbraw/zinc/20/56/74/539205674.db2.gz QRIGHFVRMSLVEL-ZBFHGGJFSA-N 2 1 290.455 2.310 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)nc2)[C@H](C)C1 ZINC000130500077 539205676 /nfs/dbraw/zinc/20/56/76/539205676.db2.gz QRIGHFVRMSLVEL-ZBFHGGJFSA-N 2 1 290.455 2.310 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)nc2)[C@H](C)C1 ZINC000130500077 539205677 /nfs/dbraw/zinc/20/56/77/539205677.db2.gz QRIGHFVRMSLVEL-ZBFHGGJFSA-N 2 1 290.455 2.310 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)nc2)[C@H](C)C1 ZINC000130500077 539205678 /nfs/dbraw/zinc/20/56/78/539205678.db2.gz QRIGHFVRMSLVEL-ZBFHGGJFSA-N 2 1 290.455 2.310 20 0 CEADMP [NH3+]CCCOC1CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC000621775603 349698246 /nfs/dbraw/zinc/69/82/46/349698246.db2.gz UAYHAXBIMCALRT-UHFFFAOYSA-N 2 1 283.803 2.065 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367617234 282195039 /nfs/dbraw/zinc/19/50/39/282195039.db2.gz QCUHQHZQDXQWBZ-OUCADQQQSA-N 2 1 262.401 2.250 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000092471239 539232076 /nfs/dbraw/zinc/23/20/76/539232076.db2.gz WMHIABSPGMKIMN-AWEZNQCLSA-N 2 1 262.397 2.469 20 0 CEADMP COC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCCC1 ZINC000449345950 282194861 /nfs/dbraw/zinc/19/48/61/282194861.db2.gz KJYFUNNVUGCQSM-UHFFFAOYSA-N 2 1 283.441 2.254 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](CCO)CCc1ccccc1 ZINC000127354493 539247593 /nfs/dbraw/zinc/24/75/93/539247593.db2.gz IDCWMCLIANWSMO-UHFFFAOYSA-N 2 1 287.407 2.119 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)CCc1ccccc1 ZINC000127354493 539247594 /nfs/dbraw/zinc/24/75/94/539247594.db2.gz IDCWMCLIANWSMO-UHFFFAOYSA-N 2 1 287.407 2.119 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CC[C@H]4COC[C@H]4C3)n2c1 ZINC000668706528 539242500 /nfs/dbraw/zinc/24/25/00/539242500.db2.gz SSJKQYYHQBIJAG-UONOGXRCSA-N 2 1 271.364 2.111 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449364733 282201751 /nfs/dbraw/zinc/20/17/51/282201751.db2.gz OLSOSYOMWUFSHP-HRCADAONSA-N 2 1 295.471 2.227 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000449367069 282202298 /nfs/dbraw/zinc/20/22/98/282202298.db2.gz YYGPGFILEYUNJF-GFCCVEGCSA-N 2 1 278.400 2.110 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000335522203 212210742 /nfs/dbraw/zinc/21/07/42/212210742.db2.gz RWKKHHSAMBQJQA-AWEZNQCLSA-N 2 1 289.423 2.263 20 0 CEADMP C[C@@H](Cc1ccsc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668740582 539256172 /nfs/dbraw/zinc/25/61/72/539256172.db2.gz VWLDBOHDOPJNNF-XJKSGUPXSA-N 2 1 294.464 2.210 20 0 CEADMP C[C@@H](Cc1ccsc1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668740582 539256173 /nfs/dbraw/zinc/25/61/73/539256173.db2.gz VWLDBOHDOPJNNF-XJKSGUPXSA-N 2 1 294.464 2.210 20 0 CEADMP COc1ccccc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784916 539272219 /nfs/dbraw/zinc/27/22/19/539272219.db2.gz KMTCYSKKCGRELI-INIZCTEOSA-N 2 1 292.423 2.238 20 0 CEADMP COc1ccccc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784916 539272221 /nfs/dbraw/zinc/27/22/21/539272221.db2.gz KMTCYSKKCGRELI-INIZCTEOSA-N 2 1 292.423 2.238 20 0 CEADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668820671 539278270 /nfs/dbraw/zinc/27/82/70/539278270.db2.gz XHXDDZSSAGKJFR-SNPRPXQTSA-N 2 1 268.470 2.450 20 0 CEADMP C(C[C@H]1CCOC1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668820606 539278340 /nfs/dbraw/zinc/27/83/40/539278340.db2.gz WYJSDRNESRJOEH-JKSUJKDBSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CC2=CCCOC2)C1 ZINC000126514779 365712952 /nfs/dbraw/zinc/71/29/52/365712952.db2.gz PZWJCDHZRXOCAT-OAHLLOKOSA-N 2 1 266.429 2.435 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2cccnc21 ZINC000311868581 539286740 /nfs/dbraw/zinc/28/67/40/539286740.db2.gz SNQKTHFMXXGAHK-AWEZNQCLSA-N 2 1 256.353 2.254 20 0 CEADMP CCC(CC)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881771 539306420 /nfs/dbraw/zinc/30/64/20/539306420.db2.gz MZVPINGPZBJGDJ-HNNXBMFYSA-N 2 1 254.418 2.408 20 0 CEADMP CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000567831038 299096052 /nfs/dbraw/zinc/09/60/52/299096052.db2.gz IDHXJYKDHCOXFJ-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CCc1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)s1 ZINC000044532490 343474267 /nfs/dbraw/zinc/47/42/67/343474267.db2.gz JRQHBXLUQBJDAZ-LLVKDONJSA-N 2 1 253.415 2.137 20 0 CEADMP CCc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000044532490 343474268 /nfs/dbraw/zinc/47/42/68/343474268.db2.gz JRQHBXLUQBJDAZ-LLVKDONJSA-N 2 1 253.415 2.137 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)oc1C ZINC000601970545 346946149 /nfs/dbraw/zinc/94/61/49/346946149.db2.gz LUYLRVPAWCHMPK-GFCCVEGCSA-N 2 1 294.395 2.242 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCOC1 ZINC000336711362 365776628 /nfs/dbraw/zinc/77/66/28/365776628.db2.gz NIHBRGJBJZHQID-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCOC1 ZINC000336711362 365776630 /nfs/dbraw/zinc/77/66/30/365776630.db2.gz NIHBRGJBJZHQID-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCCOC1 ZINC000336711362 365776633 /nfs/dbraw/zinc/77/66/33/365776633.db2.gz NIHBRGJBJZHQID-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP COC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000336711562 365776667 /nfs/dbraw/zinc/77/66/67/365776667.db2.gz NTWZDNHWWZEGHA-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP CCc1ncc(C[NH2+]CCCC[N@@H+](C)C2CC2)cn1 ZINC000414454144 539333188 /nfs/dbraw/zinc/33/31/88/539333188.db2.gz CUXGJPMVIDBCTE-UHFFFAOYSA-N 2 1 262.401 2.003 20 0 CEADMP CSc1ccc(OCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351500326 219106806 /nfs/dbraw/zinc/10/68/06/219106806.db2.gz XBGDDEYRPKZREU-RCBQFDQVSA-N 2 1 292.448 2.456 20 0 CEADMP COCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072965616 343817384 /nfs/dbraw/zinc/81/73/84/343817384.db2.gz OKTVUJOXFKBREZ-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP COCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072965616 343817386 /nfs/dbraw/zinc/81/73/86/343817386.db2.gz OKTVUJOXFKBREZ-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP COCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000072965616 343817388 /nfs/dbraw/zinc/81/73/88/343817388.db2.gz OKTVUJOXFKBREZ-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP COCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000072965616 343817389 /nfs/dbraw/zinc/81/73/89/343817389.db2.gz OKTVUJOXFKBREZ-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC(C)C)[C@H](C)C1 ZINC000336783580 365800054 /nfs/dbraw/zinc/80/00/54/365800054.db2.gz BTYHGLJCSQTCLL-HUUCEWRRSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC(C)C)[C@H](C)C1 ZINC000336783580 365800060 /nfs/dbraw/zinc/80/00/60/365800060.db2.gz BTYHGLJCSQTCLL-HUUCEWRRSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC(C)C)[C@H](C)C1 ZINC000336783580 365800068 /nfs/dbraw/zinc/80/00/68/365800068.db2.gz BTYHGLJCSQTCLL-HUUCEWRRSA-N 2 1 256.434 2.321 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414778574 282319120 /nfs/dbraw/zinc/31/91/20/282319120.db2.gz JCZAQVZEEQSLQC-STQMWFEESA-N 2 1 294.468 2.031 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)[C@@H](C)C1 ZINC000449685236 282331179 /nfs/dbraw/zinc/33/11/79/282331179.db2.gz ROALHOXQUCUFMA-ZNMIVQPWSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3c[nH]nc32)C1 ZINC000093770226 344228838 /nfs/dbraw/zinc/22/88/38/344228838.db2.gz REDKFCLSYGWOBQ-CYBMUJFWSA-N 2 1 272.396 2.337 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000093770226 344228839 /nfs/dbraw/zinc/22/88/39/344228839.db2.gz REDKFCLSYGWOBQ-CYBMUJFWSA-N 2 1 272.396 2.337 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000093770226 344228841 /nfs/dbraw/zinc/22/88/41/344228841.db2.gz REDKFCLSYGWOBQ-CYBMUJFWSA-N 2 1 272.396 2.337 20 0 CEADMP CCc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000105476988 344256484 /nfs/dbraw/zinc/25/64/84/344256484.db2.gz REOULWXKASDRPY-UHFFFAOYSA-N 2 1 289.467 2.366 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000126907246 344327195 /nfs/dbraw/zinc/32/71/95/344327195.db2.gz RLBKVUAWJGBIQB-QWHCGFSZSA-N 2 1 255.365 2.404 20 0 CEADMP Cc1cccc(C)c1[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000351591973 219137709 /nfs/dbraw/zinc/13/77/09/219137709.db2.gz IFXMQNPJNSINSI-HOCLYGCPSA-N 2 1 276.424 2.409 20 0 CEADMP Cc1cccc(C)c1[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351591973 219137710 /nfs/dbraw/zinc/13/77/10/219137710.db2.gz IFXMQNPJNSINSI-HOCLYGCPSA-N 2 1 276.424 2.409 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000148615324 344414164 /nfs/dbraw/zinc/41/41/64/344414164.db2.gz HCAZECIMFFHUQP-CQSZACIVSA-N 2 1 270.376 2.499 20 0 CEADMP CC[N@@H+](CCNC(=O)CC[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000226397437 344549784 /nfs/dbraw/zinc/54/97/84/344549784.db2.gz AWKLSSIPQJZYEW-INIZCTEOSA-N 2 1 289.423 2.067 20 0 CEADMP COc1ccc(C[NH2+]CCC[NH2+]C2CC2)c(F)c1 ZINC000228737385 344563158 /nfs/dbraw/zinc/56/31/58/344563158.db2.gz KYCPPSMHRLHOAZ-UHFFFAOYSA-N 2 1 252.333 2.066 20 0 CEADMP C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000247079719 344619329 /nfs/dbraw/zinc/61/93/29/344619329.db2.gz OTBXWDFVBVCWRM-DRRXZNNHSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H](CN[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000247079719 344619330 /nfs/dbraw/zinc/61/93/30/344619330.db2.gz OTBXWDFVBVCWRM-DRRXZNNHSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H](CN[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000247079719 344619331 /nfs/dbraw/zinc/61/93/31/344619331.db2.gz OTBXWDFVBVCWRM-DRRXZNNHSA-N 2 1 281.488 2.425 20 0 CEADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000251003831 344635315 /nfs/dbraw/zinc/63/53/15/344635315.db2.gz OIYIQSDPMFLCSS-ARFHVFGLSA-N 2 1 259.397 2.400 20 0 CEADMP COC(=O)c1csc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000602516567 347064133 /nfs/dbraw/zinc/06/41/33/347064133.db2.gz NNRMQYCQDCOXMK-QWHCGFSZSA-N 2 1 294.420 2.251 20 0 CEADMP COC(=O)c1csc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000602516567 347064137 /nfs/dbraw/zinc/06/41/37/347064137.db2.gz NNRMQYCQDCOXMK-QWHCGFSZSA-N 2 1 294.420 2.251 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000252682217 344641111 /nfs/dbraw/zinc/64/11/11/344641111.db2.gz BRRDIZGPWUANSE-TZMCWYRMSA-N 2 1 278.396 2.324 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000252682217 344641114 /nfs/dbraw/zinc/64/11/14/344641114.db2.gz BRRDIZGPWUANSE-TZMCWYRMSA-N 2 1 278.396 2.324 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000308635990 344727916 /nfs/dbraw/zinc/72/79/16/344727916.db2.gz PWZKASHIIWSKSP-ZIAGYGMSSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000312790479 344740426 /nfs/dbraw/zinc/74/04/26/344740426.db2.gz FQFUPNXIURAROJ-CYBMUJFWSA-N 2 1 276.428 2.206 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000312790479 344740428 /nfs/dbraw/zinc/74/04/28/344740428.db2.gz FQFUPNXIURAROJ-CYBMUJFWSA-N 2 1 276.428 2.206 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1)O[C@@H](C)C2 ZINC000314118083 344744677 /nfs/dbraw/zinc/74/46/77/344744677.db2.gz DBNXYBYFUJZFMY-SJCJKPOMSA-N 2 1 290.407 2.189 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1)O[C@@H](C)C2 ZINC000314118083 344744679 /nfs/dbraw/zinc/74/46/79/344744679.db2.gz DBNXYBYFUJZFMY-SJCJKPOMSA-N 2 1 290.407 2.189 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)n1 ZINC000449778753 282364261 /nfs/dbraw/zinc/36/42/61/282364261.db2.gz CBOJLIRZTWNQOL-CQSZACIVSA-N 2 1 291.439 2.485 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)n1 ZINC000449778753 282364263 /nfs/dbraw/zinc/36/42/63/282364263.db2.gz CBOJLIRZTWNQOL-CQSZACIVSA-N 2 1 291.439 2.485 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000128708906 365802647 /nfs/dbraw/zinc/80/26/47/365802647.db2.gz OZXIYKKEGPITCD-HOCLYGCPSA-N 2 1 262.397 2.385 20 0 CEADMP CSC1(C[NH2+][C@H](C)c2cn[nH]c2C)CC[NH+](C)CC1 ZINC000589349486 345079029 /nfs/dbraw/zinc/07/90/29/345079029.db2.gz GEDPPPWCVBEOGC-LLVKDONJSA-N 2 1 282.457 2.196 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000590786705 345180642 /nfs/dbraw/zinc/18/06/42/345180642.db2.gz MZPBYJPBIHPSPE-HNNXBMFYSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1[nH]nc2ccccc21 ZINC000591700520 345274422 /nfs/dbraw/zinc/27/44/22/345274422.db2.gz ICQNRWFWWMECMY-GFCCVEGCSA-N 2 1 283.379 2.494 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1[nH]nc2ccccc21 ZINC000591700521 345274481 /nfs/dbraw/zinc/27/44/81/345274481.db2.gz ICQNRWFWWMECMY-LBPRGKRZSA-N 2 1 283.379 2.494 20 0 CEADMP C([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCSCC1 ZINC000229216739 539455696 /nfs/dbraw/zinc/45/56/96/539455696.db2.gz HJSGPXYSPIYIFV-KGLIPLIRSA-N 2 1 254.443 2.346 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCSCC1 ZINC000229216739 539455701 /nfs/dbraw/zinc/45/57/01/539455701.db2.gz HJSGPXYSPIYIFV-KGLIPLIRSA-N 2 1 254.443 2.346 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478945 345359166 /nfs/dbraw/zinc/35/91/66/345359166.db2.gz MRHXOGYKOBSSNN-LSDHHAIUSA-N 2 1 282.428 2.184 20 0 CEADMP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592491690 345359978 /nfs/dbraw/zinc/35/99/78/345359978.db2.gz HWEISTAAEZZYCB-KKUMJFAQSA-N 2 1 282.428 2.040 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(F)c2cccnc12 ZINC000623086549 349933607 /nfs/dbraw/zinc/93/36/07/349933607.db2.gz YZMDKRBXMOREOG-UHFFFAOYSA-N 2 1 284.338 2.440 20 0 CEADMP c1ccc2c(c1)C[C@H](C[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)O2 ZINC000127994026 232210607 /nfs/dbraw/zinc/21/06/07/232210607.db2.gz HBPYKMBXAXXPMO-ARFHVFGLSA-N 2 1 272.392 2.207 20 0 CEADMP CC(C)SCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594525124 345643939 /nfs/dbraw/zinc/64/39/39/345643939.db2.gz SHVXOFPSRNFNDX-HNNXBMFYSA-N 2 1 286.485 2.361 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(F)cc2cccnc21 ZINC000623086256 349933911 /nfs/dbraw/zinc/93/39/11/349933911.db2.gz FKKLSNNTJSIALZ-UHFFFAOYSA-N 2 1 284.338 2.440 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000594927692 345705009 /nfs/dbraw/zinc/70/50/09/345705009.db2.gz QHUBDAXKFGSEQQ-JRBZFYFNSA-N 2 1 296.455 2.284 20 0 CEADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000595008241 345725400 /nfs/dbraw/zinc/72/54/00/345725400.db2.gz STVCASGSHUTWAE-KGLIPLIRSA-N 2 1 296.455 2.428 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(C)(C)CC(=O)OC)C1 ZINC000595017056 345727911 /nfs/dbraw/zinc/72/79/11/345727911.db2.gz YTWBFDWGUSBEDS-ZIAGYGMSSA-N 2 1 284.444 2.286 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)[C@H]2CCC[C@H]21 ZINC000595061973 345737101 /nfs/dbraw/zinc/73/71/01/345737101.db2.gz PXDLBNJOYQNWFW-ULPIJPBASA-N 2 1 298.496 2.139 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)[C@H]2CCC[C@H]21 ZINC000595061973 345737103 /nfs/dbraw/zinc/73/71/03/345737103.db2.gz PXDLBNJOYQNWFW-ULPIJPBASA-N 2 1 298.496 2.139 20 0 CEADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000595331285 345763348 /nfs/dbraw/zinc/76/33/48/345763348.db2.gz UNOREUYQDXTQOJ-RRFJBIMHSA-N 2 1 288.501 2.294 20 0 CEADMP CCS[C@@H]1CC[C@H]([NH+](C)C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000595331285 345763350 /nfs/dbraw/zinc/76/33/50/345763350.db2.gz UNOREUYQDXTQOJ-RRFJBIMHSA-N 2 1 288.501 2.294 20 0 CEADMP CCS[C@@H]1CC[C@H]([NH+](C)C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000595331285 345763352 /nfs/dbraw/zinc/76/33/52/345763352.db2.gz UNOREUYQDXTQOJ-RRFJBIMHSA-N 2 1 288.501 2.294 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2cc(Cl)cn2)C[C@H]1C ZINC000459361589 290126628 /nfs/dbraw/zinc/12/66/28/290126628.db2.gz PJWFZMLCPHVANG-TZMCWYRMSA-N 2 1 284.835 2.341 20 0 CEADMP CO[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CC[C@@H]1C ZINC000230312683 539523961 /nfs/dbraw/zinc/52/39/61/539523961.db2.gz BZVYQLCQJCPWGU-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP CCc1nocc1C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000351687285 219174599 /nfs/dbraw/zinc/17/45/99/219174599.db2.gz VZSRVGGYVFCKIS-HNNXBMFYSA-N 2 1 295.427 2.170 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CO)cc1 ZINC000127579103 187317090 /nfs/dbraw/zinc/31/70/90/187317090.db2.gz BKDMJNGIPPQVPT-NWDGAFQWSA-N 2 1 259.353 2.212 20 0 CEADMP Cn1ncc(Cl)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000189784625 232473412 /nfs/dbraw/zinc/47/34/12/232473412.db2.gz SCPKZQCLENODJH-UHFFFAOYSA-N 2 1 284.835 2.237 20 0 CEADMP CCC(CC)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000336790784 365811813 /nfs/dbraw/zinc/81/18/13/365811813.db2.gz MEWKGOFWCOYWJB-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@H]1C ZINC000598994324 346443302 /nfs/dbraw/zinc/44/33/02/346443302.db2.gz KBCBHNGVYWQKDK-FZKCQIBNSA-N 2 1 296.455 2.286 20 0 CEADMP C[C@H](CSCCF)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000599071701 346456041 /nfs/dbraw/zinc/45/60/41/346456041.db2.gz SQLMRTPVJXMNBF-OLZOCXBDSA-N 2 1 262.438 2.399 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000063195128 362758379 /nfs/dbraw/zinc/75/83/79/362758379.db2.gz WDASHKKTKOEZOD-HIFRSBDPSA-N 2 1 275.396 2.217 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000063195128 362758387 /nfs/dbraw/zinc/75/83/87/362758387.db2.gz WDASHKKTKOEZOD-HIFRSBDPSA-N 2 1 275.396 2.217 20 0 CEADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccccc1 ZINC000063199941 362759943 /nfs/dbraw/zinc/75/99/43/362759943.db2.gz YPOSDTAJPFMIJN-MRXNPFEDSA-N 2 1 287.407 2.089 20 0 CEADMP CC(C)OCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336799085 365826249 /nfs/dbraw/zinc/82/62/49/365826249.db2.gz HJPPGMADESTPOQ-MRXNPFEDSA-N 2 1 268.445 2.465 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000351747599 219193747 /nfs/dbraw/zinc/19/37/47/219193747.db2.gz WQUOIYPCOYSTGI-OAHLLOKOSA-N 2 1 276.428 2.464 20 0 CEADMP CC(C)OCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336799085 365826243 /nfs/dbraw/zinc/82/62/43/365826243.db2.gz HJPPGMADESTPOQ-MRXNPFEDSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)OCCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336799085 365826247 /nfs/dbraw/zinc/82/62/47/365826247.db2.gz HJPPGMADESTPOQ-MRXNPFEDSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2CCOCC2)[C@H](C)C1 ZINC000336815724 365858460 /nfs/dbraw/zinc/85/84/60/365858460.db2.gz ITJVIXAXEMJLIC-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2CCOCC2)[C@H](C)C1 ZINC000336815724 365858466 /nfs/dbraw/zinc/85/84/66/365858466.db2.gz ITJVIXAXEMJLIC-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP COc1ccc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)cn1 ZINC000129375473 365852424 /nfs/dbraw/zinc/85/24/24/365852424.db2.gz BPIYRKAQJMWMIJ-ZFWWWQNUSA-N 2 1 286.379 2.370 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CCOCC2)[C@H](C)C1 ZINC000336815724 365858454 /nfs/dbraw/zinc/85/84/54/365858454.db2.gz ITJVIXAXEMJLIC-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC(C)(C(=O)OCC)C2)C1 ZINC000601264641 346805309 /nfs/dbraw/zinc/80/53/09/346805309.db2.gz BYRBJVMTPFYWAX-VQCLRJIVSA-N 2 1 282.428 2.040 20 0 CEADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527804194 313204753 /nfs/dbraw/zinc/20/47/53/313204753.db2.gz NNTPVSFHAMBHTK-RBTXIFOQSA-N 2 1 252.402 2.015 20 0 CEADMP COC(=O)c1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000602680430 347141066 /nfs/dbraw/zinc/14/10/66/347141066.db2.gz FJJHUPLCYHYQKN-YHWZYXNKSA-N 2 1 294.420 2.250 20 0 CEADMP COC(=O)c1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000602680430 347141069 /nfs/dbraw/zinc/14/10/69/347141069.db2.gz FJJHUPLCYHYQKN-YHWZYXNKSA-N 2 1 294.420 2.250 20 0 CEADMP Cc1[nH+]ccn1CCN1CCC([NH+]2CCCCC2)CC1 ZINC000336821793 365871462 /nfs/dbraw/zinc/87/14/62/365871462.db2.gz JGEVZKSWLYTPDB-UHFFFAOYSA-N 2 1 276.428 2.142 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000336822614 365873729 /nfs/dbraw/zinc/87/37/29/365873729.db2.gz MJADPAVRYMIMDC-INIZCTEOSA-N 2 1 277.412 2.474 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000336822614 365873734 /nfs/dbraw/zinc/87/37/34/365873734.db2.gz MJADPAVRYMIMDC-INIZCTEOSA-N 2 1 277.412 2.474 20 0 CEADMP C[N@H+]1CC[C@]2(CCN([C@H](C(=O)OC(C)(C)C)C3CC3)C2)C1 ZINC000602843038 347221415 /nfs/dbraw/zinc/22/14/15/347221415.db2.gz YFJFYPRDBRZONN-YOEHRIQHSA-N 2 1 294.439 2.134 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000568511574 299141260 /nfs/dbraw/zinc/14/12/60/299141260.db2.gz YNMQGOXDZRBHBL-RYUDHWBXSA-N 2 1 258.369 2.292 20 0 CEADMP CO[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CC[C@H]1C ZINC000299989096 539565730 /nfs/dbraw/zinc/56/57/30/539565730.db2.gz BZVYQLCQJCPWGU-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@@H+](CCCn1ccnc1)Cc1cccc2c1OCCO2 ZINC000130388087 365951568 /nfs/dbraw/zinc/95/15/68/365951568.db2.gz DYKYTLDCXXWNKJ-UHFFFAOYSA-N 2 1 287.363 2.176 20 0 CEADMP CCOC1CC(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000339441753 215175696 /nfs/dbraw/zinc/17/56/96/215175696.db2.gz SOGFWZQJWDERKJ-UYSNPLJNSA-N 2 1 266.429 2.219 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000339441753 215175700 /nfs/dbraw/zinc/17/57/00/215175700.db2.gz SOGFWZQJWDERKJ-UYSNPLJNSA-N 2 1 266.429 2.219 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000339441753 215175702 /nfs/dbraw/zinc/17/57/02/215175702.db2.gz SOGFWZQJWDERKJ-UYSNPLJNSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000493575565 290860167 /nfs/dbraw/zinc/86/01/67/290860167.db2.gz VDUALILMSRDGLX-LSDHHAIUSA-N 2 1 265.401 2.112 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)CC1(C)C ZINC000623336871 349991490 /nfs/dbraw/zinc/99/14/90/349991490.db2.gz JXXDDWWHECDRLM-CYBMUJFWSA-N 2 1 276.380 2.378 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)CC1(C)C ZINC000623336871 349991491 /nfs/dbraw/zinc/99/14/91/349991491.db2.gz JXXDDWWHECDRLM-CYBMUJFWSA-N 2 1 276.380 2.378 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2COc3ccccc3O2)CC1(C)C ZINC000623337603 349991551 /nfs/dbraw/zinc/99/15/51/349991551.db2.gz QCFDYSWDYAGZQZ-ZIAGYGMSSA-N 2 1 290.407 2.289 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2COc3ccccc3O2)CC1(C)C ZINC000623337603 349991554 /nfs/dbraw/zinc/99/15/54/349991554.db2.gz QCFDYSWDYAGZQZ-ZIAGYGMSSA-N 2 1 290.407 2.289 20 0 CEADMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623355453 349996985 /nfs/dbraw/zinc/99/69/85/349996985.db2.gz NQSUFRNMWCKZDA-AWEZNQCLSA-N 2 1 276.428 2.110 20 0 CEADMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623355453 349996987 /nfs/dbraw/zinc/99/69/87/349996987.db2.gz NQSUFRNMWCKZDA-AWEZNQCLSA-N 2 1 276.428 2.110 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000623356991 349997794 /nfs/dbraw/zinc/99/77/94/349997794.db2.gz SNKKDPORSKFTSG-SZMVWBNQSA-N 2 1 293.499 2.428 20 0 CEADMP CC[C@H](C)[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506128 348718048 /nfs/dbraw/zinc/71/80/48/348718048.db2.gz AKYLLDKGZBAPBH-KKUMJFAQSA-N 2 1 285.476 2.057 20 0 CEADMP CC[C@H](C)[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506128 348718052 /nfs/dbraw/zinc/71/80/52/348718052.db2.gz AKYLLDKGZBAPBH-KKUMJFAQSA-N 2 1 285.476 2.057 20 0 CEADMP NC(=O)c1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000336117283 539663638 /nfs/dbraw/zinc/66/36/38/539663638.db2.gz NCTDZIDGSGXBSA-INIZCTEOSA-N 2 1 273.380 2.145 20 0 CEADMP NC(=O)c1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000336117283 539663644 /nfs/dbraw/zinc/66/36/44/539663644.db2.gz NCTDZIDGSGXBSA-INIZCTEOSA-N 2 1 273.380 2.145 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000339253442 539676792 /nfs/dbraw/zinc/67/67/92/539676792.db2.gz IBCCELDQBAOIED-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CCN(C(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000617930289 348828953 /nfs/dbraw/zinc/82/89/53/348828953.db2.gz ZTDBRCIQVJJQPN-QXSJWSMHSA-N 2 1 295.471 2.190 20 0 CEADMP CCN(C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[C@H]1CC[NH+](CC)C1 ZINC000617930289 348828955 /nfs/dbraw/zinc/82/89/55/348828955.db2.gz ZTDBRCIQVJJQPN-QXSJWSMHSA-N 2 1 295.471 2.190 20 0 CEADMP CCN(C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[C@H]1CC[NH+](CC)C1 ZINC000617930289 348828957 /nfs/dbraw/zinc/82/89/57/348828957.db2.gz ZTDBRCIQVJJQPN-QXSJWSMHSA-N 2 1 295.471 2.190 20 0 CEADMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618659640 349011121 /nfs/dbraw/zinc/01/11/21/349011121.db2.gz DUCXKIXVFAWQFX-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H](N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400400967 233178681 /nfs/dbraw/zinc/17/86/81/233178681.db2.gz KRFDVEOTPKCVGI-CWLKWCNXSA-N 2 1 287.451 2.380 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000459776069 290235739 /nfs/dbraw/zinc/23/57/39/290235739.db2.gz KAQIEUDBLOUSAY-FRRDWIJNSA-N 2 1 294.361 2.418 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000619897181 349246408 /nfs/dbraw/zinc/24/64/08/349246408.db2.gz HCRUTPFRPBFQLF-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000620623925 349407207 /nfs/dbraw/zinc/40/72/07/349407207.db2.gz INPFSZNNKWEJLV-QLFBSQMISA-N 2 1 297.487 2.484 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000620623925 349407209 /nfs/dbraw/zinc/40/72/09/349407209.db2.gz INPFSZNNKWEJLV-QLFBSQMISA-N 2 1 297.487 2.484 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623483786 350031660 /nfs/dbraw/zinc/03/16/60/350031660.db2.gz RIDFVTJYSCUKRY-HZSPNIEDSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623384910 350006410 /nfs/dbraw/zinc/00/64/10/350006410.db2.gz RLJOJLOLHIDOHY-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623384910 350006413 /nfs/dbraw/zinc/00/64/13/350006413.db2.gz RLJOJLOLHIDOHY-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623384910 350006417 /nfs/dbraw/zinc/00/64/17/350006417.db2.gz RLJOJLOLHIDOHY-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623384910 350006418 /nfs/dbraw/zinc/00/64/18/350006418.db2.gz RLJOJLOLHIDOHY-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623384910 350006421 /nfs/dbraw/zinc/00/64/21/350006421.db2.gz RLJOJLOLHIDOHY-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623384910 350006425 /nfs/dbraw/zinc/00/64/25/350006425.db2.gz RLJOJLOLHIDOHY-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP CN(C(=O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623439569 350021059 /nfs/dbraw/zinc/02/10/59/350021059.db2.gz OWQJLLHEGPZWNU-AWEZNQCLSA-N 2 1 295.471 2.240 20 0 CEADMP CN(C(=O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623439569 350021062 /nfs/dbraw/zinc/02/10/62/350021062.db2.gz OWQJLLHEGPZWNU-AWEZNQCLSA-N 2 1 295.471 2.240 20 0 CEADMP COC[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000234862149 539742310 /nfs/dbraw/zinc/74/23/10/539742310.db2.gz RSNGNSRRLCOMQN-CQSZACIVSA-N 2 1 274.408 2.191 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1(C)C ZINC000623443243 350022309 /nfs/dbraw/zinc/02/23/09/350022309.db2.gz WEMOTBMBIZZYHB-JHJVBQTASA-N 2 1 254.418 2.262 20 0 CEADMP C[N@H+]1CCCC[C@@H](CNCc2cccc3c2OCCO3)C1 ZINC000623655827 350074949 /nfs/dbraw/zinc/07/49/49/350074949.db2.gz GQHUHJQOAJQKOE-AWEZNQCLSA-N 2 1 290.407 2.279 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000623655827 350074952 /nfs/dbraw/zinc/07/49/52/350074952.db2.gz GQHUHJQOAJQKOE-AWEZNQCLSA-N 2 1 290.407 2.279 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000623655827 350074956 /nfs/dbraw/zinc/07/49/56/350074956.db2.gz GQHUHJQOAJQKOE-AWEZNQCLSA-N 2 1 290.407 2.279 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657554 350077520 /nfs/dbraw/zinc/07/75/20/350077520.db2.gz UHCVPQOOJWQOCB-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657554 350077522 /nfs/dbraw/zinc/07/75/22/350077522.db2.gz UHCVPQOOJWQOCB-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP CCOC1CC(C[N@H+](C)C2CC[NH+](CC)CC2)C1 ZINC000352050939 219304084 /nfs/dbraw/zinc/30/40/84/219304084.db2.gz WVHRDJUCNPEGHF-UHFFFAOYSA-N 2 1 254.418 2.218 20 0 CEADMP CCOC1CC(C[N@@H+](C)C2CC[NH+](CC)CC2)C1 ZINC000352050939 219304087 /nfs/dbraw/zinc/30/40/87/219304087.db2.gz WVHRDJUCNPEGHF-UHFFFAOYSA-N 2 1 254.418 2.218 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)CC1(C)C ZINC000623530478 350042466 /nfs/dbraw/zinc/04/24/66/350042466.db2.gz ZUUNLGFVDBHCNY-GVXVVHGQSA-N 2 1 294.361 2.295 20 0 CEADMP COC1(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623533136 350043002 /nfs/dbraw/zinc/04/30/02/350043002.db2.gz UMNVKRBJFQSQQW-CYBMUJFWSA-N 2 1 254.418 2.408 20 0 CEADMP CCn1cc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623542128 350045796 /nfs/dbraw/zinc/04/57/96/350045796.db2.gz OMVYXVRLWRNQBX-TZMCWYRMSA-N 2 1 264.417 2.426 20 0 CEADMP CCn1cc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623542128 350045798 /nfs/dbraw/zinc/04/57/98/350045798.db2.gz OMVYXVRLWRNQBX-TZMCWYRMSA-N 2 1 264.417 2.426 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623558784 350050214 /nfs/dbraw/zinc/05/02/14/350050214.db2.gz IXGVLMVSAUJWDF-OAHLLOKOSA-N 2 1 269.477 2.427 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623558784 350050216 /nfs/dbraw/zinc/05/02/16/350050216.db2.gz IXGVLMVSAUJWDF-OAHLLOKOSA-N 2 1 269.477 2.427 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623558784 350050217 /nfs/dbraw/zinc/05/02/17/350050217.db2.gz IXGVLMVSAUJWDF-OAHLLOKOSA-N 2 1 269.477 2.427 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623558784 350050219 /nfs/dbraw/zinc/05/02/19/350050219.db2.gz IXGVLMVSAUJWDF-OAHLLOKOSA-N 3 1 269.477 2.427 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623558784 350050221 /nfs/dbraw/zinc/05/02/21/350050221.db2.gz IXGVLMVSAUJWDF-OAHLLOKOSA-N 3 1 269.477 2.427 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623558784 350050224 /nfs/dbraw/zinc/05/02/24/350050224.db2.gz IXGVLMVSAUJWDF-OAHLLOKOSA-N 3 1 269.477 2.427 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623558784 350050229 /nfs/dbraw/zinc/05/02/29/350050229.db2.gz IXGVLMVSAUJWDF-OAHLLOKOSA-N 3 1 269.477 2.427 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCCO1 ZINC000623860718 350128131 /nfs/dbraw/zinc/12/81/31/350128131.db2.gz CJYSZXJCEDVYJO-YDHLFZDLSA-N 2 1 252.402 2.018 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)n1 ZINC000624122471 350200169 /nfs/dbraw/zinc/20/01/69/350200169.db2.gz RUUYVFCHEIXQGN-LSDHHAIUSA-N 2 1 291.439 2.343 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000105442546 186057201 /nfs/dbraw/zinc/05/72/01/186057201.db2.gz BWIQHMTUFMGJPM-GFCCVEGCSA-N 2 1 283.379 2.494 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCOCc1ccccc1 ZINC000309653882 539785123 /nfs/dbraw/zinc/78/51/23/539785123.db2.gz AXOCFVSMILKAHW-INIZCTEOSA-N 2 1 262.397 2.407 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CC2=CCCOC2)CC1 ZINC000092165819 180336516 /nfs/dbraw/zinc/33/65/16/180336516.db2.gz RTGMSQGTEFFZMR-UHFFFAOYSA-N 2 1 252.402 2.139 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](C/C=C/Cl)CC1 ZINC000105918600 186090044 /nfs/dbraw/zinc/09/00/44/186090044.db2.gz STCFBTYFLGNFLW-GORDUTHDSA-N 2 1 253.777 2.427 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000092345946 180366250 /nfs/dbraw/zinc/36/62/50/180366250.db2.gz DPAMHSVPEBDTGJ-ZDUSSCGKSA-N 2 1 255.365 2.324 20 0 CEADMP CCc1nn(C)cc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000092371823 180370873 /nfs/dbraw/zinc/37/08/73/180370873.db2.gz PUFBHGHXKHOSHY-AWEZNQCLSA-N 2 1 278.444 2.194 20 0 CEADMP CCO[C@@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)C1CC1 ZINC000625463089 350507232 /nfs/dbraw/zinc/50/72/32/350507232.db2.gz HIAMYDZSIHJDBE-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000130502177 365963999 /nfs/dbraw/zinc/96/39/99/365963999.db2.gz USFZYUWZOMJXMJ-DZGCQCFKSA-N 2 1 262.397 2.255 20 0 CEADMP c1ccc(CN2CCC([NH2+]C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000107788589 186190885 /nfs/dbraw/zinc/19/08/85/186190885.db2.gz HXAYONADWHZLIB-KRWDZBQOSA-N 2 1 287.451 2.240 20 0 CEADMP COCc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000130653160 365976699 /nfs/dbraw/zinc/97/66/99/365976699.db2.gz QPEBODVGYOPJDX-BBWFWOEESA-N 2 1 274.408 2.392 20 0 CEADMP CCC[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000131048058 366017003 /nfs/dbraw/zinc/01/70/03/366017003.db2.gz FPFJWRDBKKXUGZ-GOSISDBHSA-N 2 1 290.451 2.444 20 0 CEADMP Cc1nc(C)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)o1 ZINC000628281069 351040286 /nfs/dbraw/zinc/04/02/86/351040286.db2.gz YMOIEOBYUVBVHH-ZIAGYGMSSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)o1 ZINC000628281069 351040287 /nfs/dbraw/zinc/04/02/87/351040287.db2.gz YMOIEOBYUVBVHH-ZIAGYGMSSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)o1 ZINC000628281069 351040291 /nfs/dbraw/zinc/04/02/91/351040291.db2.gz YMOIEOBYUVBVHH-ZIAGYGMSSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)o1 ZINC000628281069 351040292 /nfs/dbraw/zinc/04/02/92/351040292.db2.gz YMOIEOBYUVBVHH-ZIAGYGMSSA-N 2 1 263.385 2.208 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4n[nH]cc43)C2)C1 ZINC000628296145 351046675 /nfs/dbraw/zinc/04/66/75/351046675.db2.gz XMWRXONCOMUHLG-QGZVFWFLSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc4n[nH]cc43)C2)C1 ZINC000628296145 351046677 /nfs/dbraw/zinc/04/66/77/351046677.db2.gz XMWRXONCOMUHLG-QGZVFWFLSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc4n[nH]cc43)C2)C1 ZINC000628296145 351046678 /nfs/dbraw/zinc/04/66/78/351046678.db2.gz XMWRXONCOMUHLG-QGZVFWFLSA-N 2 1 284.407 2.481 20 0 CEADMP C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)[NH+]1CCCCCC1 ZINC000628753360 351183703 /nfs/dbraw/zinc/18/37/03/351183703.db2.gz XRAKAYLRLQFCEY-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(CC)CC ZINC000629543919 351405228 /nfs/dbraw/zinc/40/52/28/351405228.db2.gz FRAWRAUZTKHKMB-RFQIPJPRSA-N 2 1 254.418 2.310 20 0 CEADMP CCC[N@@H+](C[C@H](OCC)C1CC1)C1CC[NH2+]CC1 ZINC000629517742 351385081 /nfs/dbraw/zinc/38/50/81/351385081.db2.gz YDVNBYXMPPZJJN-HNNXBMFYSA-N 2 1 254.418 2.266 20 0 CEADMP CCCCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629544978 351406242 /nfs/dbraw/zinc/40/62/42/351406242.db2.gz ORFDKTVHOWXVEI-DGAVXFQQSA-N 2 1 254.418 2.310 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccccc2C(F)(F)F)CCOCC1 ZINC000629386576 351344768 /nfs/dbraw/zinc/34/47/68/351344768.db2.gz CJVLJYUDRWTJAQ-UHFFFAOYSA-N 2 1 288.313 2.303 20 0 CEADMP CCCCOc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629386493 351344935 /nfs/dbraw/zinc/34/49/35/351344935.db2.gz AWIPAPXMVKDBRK-UHFFFAOYSA-N 2 1 292.423 2.463 20 0 CEADMP Cc1cc(Cl)ccc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629389522 351346910 /nfs/dbraw/zinc/34/69/10/351346910.db2.gz ZNXARXDNBPMCGE-UHFFFAOYSA-N 2 1 268.788 2.246 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C[NH2+]1 ZINC000629396543 351348919 /nfs/dbraw/zinc/34/89/19/351348919.db2.gz MMYMPWQMQCWXMA-UKRRQHHQSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC1=Cc2ccccc2OC1 ZINC000629648878 351447033 /nfs/dbraw/zinc/44/70/33/351447033.db2.gz ZZKNSRMBOXQVJX-OAHLLOKOSA-N 2 1 260.381 2.425 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2=Cc3ccccc3OC2)CC[NH2+]1 ZINC000629648886 351447246 /nfs/dbraw/zinc/44/72/46/351447246.db2.gz BNCXCSNXESIWHH-IUODEOHRSA-N 2 1 258.365 2.193 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000070141471 363035861 /nfs/dbraw/zinc/03/58/61/363035861.db2.gz JEPMEPJZJVUEFC-UHFFFAOYSA-N 2 1 289.423 2.138 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629651431 351449639 /nfs/dbraw/zinc/44/96/39/351449639.db2.gz GEYZEYZMHZCEHP-CQSZACIVSA-N 2 1 272.392 2.394 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629651431 351449646 /nfs/dbraw/zinc/44/96/46/351449646.db2.gz GEYZEYZMHZCEHP-CQSZACIVSA-N 2 1 272.392 2.394 20 0 CEADMP COCc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000629652948 351450404 /nfs/dbraw/zinc/45/04/04/351450404.db2.gz FYBZXOSJMKIYMK-ZIAGYGMSSA-N 2 1 278.396 2.248 20 0 CEADMP C1=C(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)COCC1 ZINC000629653449 351450464 /nfs/dbraw/zinc/45/04/64/351450464.db2.gz IYIANMRCIMBVNZ-HZPDHXFCSA-N 2 1 264.413 2.045 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCSC2)CC[C@H]1C(F)(F)F ZINC000629654658 351452765 /nfs/dbraw/zinc/45/27/65/351452765.db2.gz OYQNLYQKYNTNAN-HBNTYKKESA-N 2 1 282.375 2.199 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c(C)c1OC ZINC000629547056 351407298 /nfs/dbraw/zinc/40/72/98/351407298.db2.gz RFLBCKDAKPWJOU-CORIIIEPSA-N 2 1 292.423 2.283 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CC[C@H]1C(F)(F)F ZINC000629564579 351416115 /nfs/dbraw/zinc/41/61/15/351416115.db2.gz STMLRVWUNJRPOE-GRYCIOLGSA-N 2 1 280.334 2.015 20 0 CEADMP Cc1ccccc1-c1cnc(C[N@H+](C)CCOCC[NH3+])o1 ZINC000629578580 351421128 /nfs/dbraw/zinc/42/11/28/351421128.db2.gz SEMMVOVOZUZORP-UHFFFAOYSA-N 2 1 289.379 2.057 20 0 CEADMP Cc1ccccc1-c1cnc(C[N@@H+](C)CCOCC[NH3+])o1 ZINC000629578580 351421131 /nfs/dbraw/zinc/42/11/31/351421131.db2.gz SEMMVOVOZUZORP-UHFFFAOYSA-N 2 1 289.379 2.057 20 0 CEADMP C[N@@H+](CCOCC[NH3+])CC[C@@H]1CCc2ccccc21 ZINC000629581271 351422212 /nfs/dbraw/zinc/42/22/12/351422212.db2.gz UKMAWPCQTIUWMO-HNNXBMFYSA-N 2 1 262.397 2.014 20 0 CEADMP Oc1cccc2c1CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000629582263 351422947 /nfs/dbraw/zinc/42/29/47/351422947.db2.gz QHVNTDOLXRWBJT-UHFFFAOYSA-N 2 1 260.381 2.140 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271434415 191135016 /nfs/dbraw/zinc/13/50/16/191135016.db2.gz DLUXAMQMPYLYHX-SQWLQELKSA-N 2 1 262.397 2.010 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271434415 191135020 /nfs/dbraw/zinc/13/50/20/191135020.db2.gz DLUXAMQMPYLYHX-SQWLQELKSA-N 2 1 262.397 2.010 20 0 CEADMP COc1ccc(OC)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000070171701 363044681 /nfs/dbraw/zinc/04/46/81/363044681.db2.gz FZJITGGMWKMYAL-STQMWFEESA-N 2 1 278.396 2.263 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000070171701 363044686 /nfs/dbraw/zinc/04/46/86/363044686.db2.gz FZJITGGMWKMYAL-STQMWFEESA-N 2 1 278.396 2.263 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000070174520 363048296 /nfs/dbraw/zinc/04/82/96/363048296.db2.gz STBXZJFTRVUSFH-CHWSQXEVSA-N 2 1 266.360 2.264 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC000629954997 351553070 /nfs/dbraw/zinc/55/30/70/351553070.db2.gz XFLNEJIAHGZPOF-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC000629954997 351553073 /nfs/dbraw/zinc/55/30/73/351553073.db2.gz XFLNEJIAHGZPOF-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC000629954997 351553078 /nfs/dbraw/zinc/55/30/78/351553078.db2.gz XFLNEJIAHGZPOF-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@@H]([NH2+]CCC[NH+](CC)CC)c1cnn(C)c1 ZINC000131395009 366049124 /nfs/dbraw/zinc/04/91/24/366049124.db2.gz YPNBWUGRNRZFMN-CQSZACIVSA-N 2 1 252.406 2.193 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000336499230 213374785 /nfs/dbraw/zinc/37/47/85/213374785.db2.gz YDQIUGNPUXCJDN-LBPRGKRZSA-N 2 1 253.415 2.368 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000336499230 213374788 /nfs/dbraw/zinc/37/47/88/213374788.db2.gz YDQIUGNPUXCJDN-LBPRGKRZSA-N 2 1 253.415 2.368 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cccn1 ZINC000271443390 191140587 /nfs/dbraw/zinc/14/05/87/191140587.db2.gz GYSBIKZISCTQOE-SJLPKXTDSA-N 2 1 298.434 2.383 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000131637659 366072526 /nfs/dbraw/zinc/07/25/26/366072526.db2.gz YSDQOZYQJANGPS-HIFRSBDPSA-N 2 1 270.380 2.041 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)c2c1C ZINC000630540844 351778347 /nfs/dbraw/zinc/77/83/47/351778347.db2.gz HADQTAKMKWBGLF-IYBDPMFKSA-N 2 1 285.395 2.011 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000131637875 366073589 /nfs/dbraw/zinc/07/35/89/366073589.db2.gz YSDQOZYQJANGPS-ZFWWWQNUSA-N 2 1 270.380 2.041 20 0 CEADMP COCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000122021684 187010599 /nfs/dbraw/zinc/01/05/99/187010599.db2.gz POYSJPZVWHCYNU-XJKSGUPXSA-N 2 1 262.397 2.405 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070543539 363095083 /nfs/dbraw/zinc/09/50/83/363095083.db2.gz GSUKUVALFBSUKP-CYBMUJFWSA-N 2 1 278.396 2.265 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000122686621 187045958 /nfs/dbraw/zinc/04/59/58/187045958.db2.gz YGFIZDNDOPHSKC-DOTOQJQBSA-N 3 1 281.488 2.428 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)CC1 ZINC000122686621 187045959 /nfs/dbraw/zinc/04/59/59/187045959.db2.gz YGFIZDNDOPHSKC-DOTOQJQBSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2)CC[N@@H+]1C ZINC000123201932 187077454 /nfs/dbraw/zinc/07/74/54/187077454.db2.gz GWHIMIKKYBEIMK-ZBFHGGJFSA-N 2 1 289.423 2.430 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2)CC[N@H+]1C ZINC000123201932 187077455 /nfs/dbraw/zinc/07/74/55/187077455.db2.gz GWHIMIKKYBEIMK-ZBFHGGJFSA-N 2 1 289.423 2.430 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2)CC[NH+]1C ZINC000123201932 187077456 /nfs/dbraw/zinc/07/74/56/187077456.db2.gz GWHIMIKKYBEIMK-ZBFHGGJFSA-N 2 1 289.423 2.430 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2)CC[NH+]1C ZINC000123201932 187077457 /nfs/dbraw/zinc/07/74/57/187077457.db2.gz GWHIMIKKYBEIMK-ZBFHGGJFSA-N 2 1 289.423 2.430 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCOCC(F)(F)F ZINC000123671720 187104485 /nfs/dbraw/zinc/10/44/85/187104485.db2.gz LWHSBHBLSPCJRI-NSHDSACASA-N 2 1 270.339 2.261 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cncc(OC)c2C)C1 ZINC000631056992 351942469 /nfs/dbraw/zinc/94/24/69/351942469.db2.gz QAKAPIBQCGEIER-CQSZACIVSA-N 2 1 277.412 2.220 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cncc(OC)c2C)C1 ZINC000631056992 351942475 /nfs/dbraw/zinc/94/24/75/351942475.db2.gz QAKAPIBQCGEIER-CQSZACIVSA-N 2 1 277.412 2.220 20 0 CEADMP COc1cncc(C[NH2+]CCC[N@H+](C)CC(C)C)c1C ZINC000631167037 351996649 /nfs/dbraw/zinc/99/66/49/351996649.db2.gz DSFFGZJOAZUXAN-UHFFFAOYSA-N 2 1 279.428 2.466 20 0 CEADMP COc1cncc(C[NH2+]CCC[N@@H+](C)CC(C)C)c1C ZINC000631167037 351996652 /nfs/dbraw/zinc/99/66/52/351996652.db2.gz DSFFGZJOAZUXAN-UHFFFAOYSA-N 2 1 279.428 2.466 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423398033 539873069 /nfs/dbraw/zinc/87/30/69/539873069.db2.gz SUSZOXRMGHEPMG-XJKSGUPXSA-N 2 1 289.423 2.263 20 0 CEADMP C[N@@H+](CCCNC(=O)CC1([NH3+])CCC1)C1CCCCC1 ZINC000094294790 539874745 /nfs/dbraw/zinc/87/47/45/539874745.db2.gz PBKLHRUEPZSRDD-UHFFFAOYSA-N 2 1 281.444 2.029 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1F ZINC000094954879 539888321 /nfs/dbraw/zinc/88/83/21/539888321.db2.gz PDQDKWXGTMSQEU-HIFRSBDPSA-N 2 1 280.387 2.241 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC000292073973 198153056 /nfs/dbraw/zinc/15/30/56/198153056.db2.gz DXXVHFJWPPWBCW-GOSISDBHSA-N 2 1 296.418 2.400 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC000292073973 198153058 /nfs/dbraw/zinc/15/30/58/198153058.db2.gz DXXVHFJWPPWBCW-GOSISDBHSA-N 2 1 296.418 2.400 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC000292073973 198153060 /nfs/dbraw/zinc/15/30/60/198153060.db2.gz DXXVHFJWPPWBCW-GOSISDBHSA-N 2 1 296.418 2.400 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cccc(C)c2)[C@@H](C)C1 ZINC000271557581 191211300 /nfs/dbraw/zinc/21/13/00/191211300.db2.gz WFJBKMGBEAJHGN-BHYGNILZSA-N 2 1 276.424 2.348 20 0 CEADMP C[C@@H](C(=O)Nc1ccccc1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292084949 198157754 /nfs/dbraw/zinc/15/77/54/198157754.db2.gz GBWWFBSHBNDTHG-YOEHRIQHSA-N 2 1 287.407 2.041 20 0 CEADMP OC[C@H](CC1CC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000678606281 539902950 /nfs/dbraw/zinc/90/29/50/539902950.db2.gz HZDBCBSPFVZZOS-SFHVURJKSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H]1C[C@H](NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1C ZINC000152655023 539934920 /nfs/dbraw/zinc/93/49/20/539934920.db2.gz DBHXDYZZRVNJDK-LSDHHAIUSA-N 2 1 267.461 2.323 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](C)[C@@H](F)C2)CC1 ZINC000669692077 539935804 /nfs/dbraw/zinc/93/58/04/539935804.db2.gz GFLWWKYNINPMOW-HOTGVXAUSA-N 2 1 285.451 2.082 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000152489918 188023428 /nfs/dbraw/zinc/02/34/28/188023428.db2.gz HKXZHDMVULVCJY-INIZCTEOSA-N 2 1 289.423 2.419 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000152489918 188023429 /nfs/dbraw/zinc/02/34/29/188023429.db2.gz HKXZHDMVULVCJY-INIZCTEOSA-N 2 1 289.423 2.419 20 0 CEADMP CC(=O)Nc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000152489918 188023431 /nfs/dbraw/zinc/02/34/31/188023431.db2.gz HKXZHDMVULVCJY-INIZCTEOSA-N 2 1 289.423 2.419 20 0 CEADMP CC(=O)Nc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000152489918 188023432 /nfs/dbraw/zinc/02/34/32/188023432.db2.gz HKXZHDMVULVCJY-INIZCTEOSA-N 2 1 289.423 2.419 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152489818 188023537 /nfs/dbraw/zinc/02/35/37/188023537.db2.gz HKXZHDMVULVCJY-MRXNPFEDSA-N 2 1 289.423 2.419 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152489818 188023539 /nfs/dbraw/zinc/02/35/39/188023539.db2.gz HKXZHDMVULVCJY-MRXNPFEDSA-N 2 1 289.423 2.419 20 0 CEADMP CC(=O)Nc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000152489818 188023541 /nfs/dbraw/zinc/02/35/41/188023541.db2.gz HKXZHDMVULVCJY-MRXNPFEDSA-N 2 1 289.423 2.419 20 0 CEADMP CC(=O)Nc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000152489818 188023542 /nfs/dbraw/zinc/02/35/42/188023542.db2.gz HKXZHDMVULVCJY-MRXNPFEDSA-N 2 1 289.423 2.419 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000153781267 188103819 /nfs/dbraw/zinc/10/38/19/188103819.db2.gz OWYUVONOMPZNPY-ZDUSSCGKSA-N 2 1 268.376 2.445 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250959515 539970522 /nfs/dbraw/zinc/97/05/22/539970522.db2.gz NNRAFYUMIDBTIR-UONOGXRCSA-N 2 1 279.453 2.458 20 0 CEADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000309692187 299199276 /nfs/dbraw/zinc/19/92/76/299199276.db2.gz DBUDMEUOJIUZPU-XUXIUFHCSA-N 2 1 299.459 2.360 20 0 CEADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309692187 299199279 /nfs/dbraw/zinc/19/92/79/299199279.db2.gz DBUDMEUOJIUZPU-XUXIUFHCSA-N 2 1 299.459 2.360 20 0 CEADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000451126790 282900430 /nfs/dbraw/zinc/90/04/30/282900430.db2.gz SEAKKUFDRUUFDI-RBSFLKMASA-N 2 1 256.434 2.103 20 0 CEADMP Cc1ccncc1CCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292679758 198372783 /nfs/dbraw/zinc/37/27/83/198372783.db2.gz AMOJAKMYOMEBJB-KRWDZBQOSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1ccncc1CCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292679758 198372785 /nfs/dbraw/zinc/37/27/85/198372785.db2.gz AMOJAKMYOMEBJB-KRWDZBQOSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1ccncc1CCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292679758 198372787 /nfs/dbraw/zinc/37/27/87/198372787.db2.gz AMOJAKMYOMEBJB-KRWDZBQOSA-N 2 1 273.424 2.350 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494889228 291003267 /nfs/dbraw/zinc/00/32/67/291003267.db2.gz KGBHMIMFVWNKNV-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000309914912 540014772 /nfs/dbraw/zinc/01/47/72/540014772.db2.gz UAOBHXUXTOGDEI-GDBMZVCRSA-N 2 1 262.397 2.262 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000666853965 540023805 /nfs/dbraw/zinc/02/38/05/540023805.db2.gz UZELIYAEFWAJST-ZIAGYGMSSA-N 2 1 270.380 2.232 20 0 CEADMP c1nc(C2CC2)sc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855155 540023844 /nfs/dbraw/zinc/02/38/44/540023844.db2.gz APNSTOUFZZBYGP-NSHDSACASA-N 2 1 251.399 2.252 20 0 CEADMP Cc1cc(N2CC[C@@H](C[NH+]3CCCCC3)C2)nc(C)[nH+]1 ZINC000132949257 366182967 /nfs/dbraw/zinc/18/29/67/366182967.db2.gz UBDINNPMULLBMT-HNNXBMFYSA-N 2 1 274.412 2.406 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC[N@@H+]1C ZINC000133009757 366187965 /nfs/dbraw/zinc/18/79/65/366187965.db2.gz UEGUGSUHDUWTSK-GOEBONIOSA-N 2 1 288.439 2.254 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC[N@H+]1C ZINC000133009757 366187973 /nfs/dbraw/zinc/18/79/73/366187973.db2.gz UEGUGSUHDUWTSK-GOEBONIOSA-N 2 1 288.439 2.254 20 0 CEADMP COCc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000571447763 314090503 /nfs/dbraw/zinc/09/05/03/314090503.db2.gz IIGFPGKJLCGPFM-UHFFFAOYSA-N 2 1 250.386 2.217 20 0 CEADMP COCc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000571447763 314090506 /nfs/dbraw/zinc/09/05/06/314090506.db2.gz IIGFPGKJLCGPFM-UHFFFAOYSA-N 2 1 250.386 2.217 20 0 CEADMP CCOc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OC ZINC000271812838 191343000 /nfs/dbraw/zinc/34/30/00/191343000.db2.gz LFGUXOXGGIBZQE-UHFFFAOYSA-N 2 1 290.407 2.445 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCOc2ccccc21 ZINC000162080955 540147208 /nfs/dbraw/zinc/14/72/08/540147208.db2.gz OPJPDUUKWHNJBH-RDBSUJKOSA-N 2 1 260.381 2.364 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)[C@@H]2CCC[C@H]21 ZINC000353683328 283136813 /nfs/dbraw/zinc/13/68/13/283136813.db2.gz POJPOSRXXROYKA-ZQDZILKHSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]1C[C@@H](NCC2(C[NH+](C)C)CCCC2)CC[N@H+]1C ZINC000183950998 291082611 /nfs/dbraw/zinc/08/26/11/291082611.db2.gz KENVBNQIRPPMEA-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CC[N@@H+]1C ZINC000183950998 291082615 /nfs/dbraw/zinc/08/26/15/291082615.db2.gz KENVBNQIRPPMEA-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CC[N@H+]1C ZINC000183950998 291082618 /nfs/dbraw/zinc/08/26/18/291082618.db2.gz KENVBNQIRPPMEA-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000385277897 540227583 /nfs/dbraw/zinc/22/75/83/540227583.db2.gz JCLABCRSPZEODM-QPSCCSFWSA-N 2 1 256.434 2.102 20 0 CEADMP C[NH+](C)CCC[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000495893305 291088917 /nfs/dbraw/zinc/08/89/17/291088917.db2.gz OCSYAJVFBUEDDW-UHFFFAOYSA-N 2 1 287.448 2.173 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000495893305 291088918 /nfs/dbraw/zinc/08/89/18/291088918.db2.gz OCSYAJVFBUEDDW-UHFFFAOYSA-N 2 1 287.448 2.173 20 0 CEADMP C[C@@H](O)C[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccc(Cl)cc1 ZINC000414760214 540245835 /nfs/dbraw/zinc/24/58/35/540245835.db2.gz GQPXFGJHGIRWOH-QWHCGFSZSA-N 2 1 284.831 2.303 20 0 CEADMP CCC[N@@H+](CC)CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261567689 283173401 /nfs/dbraw/zinc/17/34/01/283173401.db2.gz ILSDDHUEZLIXEE-HOTGVXAUSA-N 2 1 261.413 2.453 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338280070 366269378 /nfs/dbraw/zinc/26/93/78/366269378.db2.gz PAOMZAVHGXTUHW-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338280070 366269379 /nfs/dbraw/zinc/26/93/79/366269379.db2.gz PAOMZAVHGXTUHW-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000338297664 366281225 /nfs/dbraw/zinc/28/12/25/366281225.db2.gz AXLDUUAAMCYZCA-GJZGRUSLSA-N 2 1 256.434 2.201 20 0 CEADMP C[N@H+](CCOCC(F)(F)F)CC[C@H]1CCCC[NH+]1C ZINC000075860418 363494515 /nfs/dbraw/zinc/49/45/15/363494515.db2.gz XZMDQTZDHOCLOB-GFCCVEGCSA-N 2 1 282.350 2.372 20 0 CEADMP C[N@@H+](CCOCC(F)(F)F)CC[C@H]1CCCC[NH+]1C ZINC000075860418 363494520 /nfs/dbraw/zinc/49/45/20/363494520.db2.gz XZMDQTZDHOCLOB-GFCCVEGCSA-N 2 1 282.350 2.372 20 0 CEADMP C[NH+](CCOCC(F)(F)F)CC[C@H]1CCCC[N@@H+]1C ZINC000075860418 363494525 /nfs/dbraw/zinc/49/45/25/363494525.db2.gz XZMDQTZDHOCLOB-GFCCVEGCSA-N 2 1 282.350 2.372 20 0 CEADMP C[NH+](CCOCC(F)(F)F)CC[C@H]1CCCC[N@H+]1C ZINC000075860418 363494530 /nfs/dbraw/zinc/49/45/30/363494530.db2.gz XZMDQTZDHOCLOB-GFCCVEGCSA-N 2 1 282.350 2.372 20 0 CEADMP CCOCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109943 363521873 /nfs/dbraw/zinc/52/18/73/363521873.db2.gz XCKXLSSXNLJAJU-KRWDZBQOSA-N 2 1 276.424 2.477 20 0 CEADMP CCOCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109943 363521881 /nfs/dbraw/zinc/52/18/81/363521881.db2.gz XCKXLSSXNLJAJU-KRWDZBQOSA-N 2 1 276.424 2.477 20 0 CEADMP CCOCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109943 363521888 /nfs/dbraw/zinc/52/18/88/363521888.db2.gz XCKXLSSXNLJAJU-KRWDZBQOSA-N 2 1 276.424 2.477 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N(C)CCC[NH+]2CCCCC2)C1 ZINC000452124973 283196156 /nfs/dbraw/zinc/19/61/56/283196156.db2.gz XBMRTJKQOTWDEV-MRXNPFEDSA-N 2 1 267.461 2.277 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000452151893 283205245 /nfs/dbraw/zinc/20/52/45/283205245.db2.gz OGQOMYFHUAABGL-DOTOQJQBSA-N 2 1 295.471 2.097 20 0 CEADMP O[C@@H](C[NH2+][C@@H]1CCSc2ccccc21)C[NH+]1CCCC1 ZINC000338396292 366339961 /nfs/dbraw/zinc/33/99/61/366339961.db2.gz DJQJLIZAPFEMSA-DZGCQCFKSA-N 2 1 292.448 2.270 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000394091608 538758331 /nfs/dbraw/zinc/75/83/31/538758331.db2.gz OEDNIDPANMWQOG-HNNXBMFYSA-N 2 1 270.461 2.446 20 0 CEADMP COCC[N@@H+]1CC[C@@H](Nc2cccc3cc[nH+]cc32)C1 ZINC000328452285 538841677 /nfs/dbraw/zinc/84/16/77/538841677.db2.gz DLJGMFYERMFTLQ-CQSZACIVSA-N 2 1 271.364 2.367 20 0 CEADMP COCC[N@H+]1CC[C@@H](Nc2cccc3cc[nH+]cc32)C1 ZINC000328452285 538841682 /nfs/dbraw/zinc/84/16/82/538841682.db2.gz DLJGMFYERMFTLQ-CQSZACIVSA-N 2 1 271.364 2.367 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CCc1cncs1)CC2 ZINC000336279041 213116426 /nfs/dbraw/zinc/11/64/26/213116426.db2.gz PRMIJSAHCRYISY-UHFFFAOYSA-N 2 1 265.426 2.246 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CCc1cncs1)CC2 ZINC000336279041 213116429 /nfs/dbraw/zinc/11/64/29/213116429.db2.gz PRMIJSAHCRYISY-UHFFFAOYSA-N 2 1 265.426 2.246 20 0 CEADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000353528653 540316765 /nfs/dbraw/zinc/31/67/65/540316765.db2.gz OLFOFWFUNAJSAZ-UONOGXRCSA-N 2 1 254.418 2.121 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309930006 540332119 /nfs/dbraw/zinc/33/21/19/540332119.db2.gz YRWLWOFQGPWYJI-SJORKVTESA-N 2 1 276.424 2.259 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)[C@H]1C ZINC000353567614 291122551 /nfs/dbraw/zinc/12/25/51/291122551.db2.gz HAHPCLGGWLMHLY-AJNGGQMLSA-N 2 1 284.444 2.283 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)[C@H]1C ZINC000353567614 291122554 /nfs/dbraw/zinc/12/25/54/291122554.db2.gz HAHPCLGGWLMHLY-AJNGGQMLSA-N 2 1 284.444 2.283 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000336224201 213050603 /nfs/dbraw/zinc/05/06/03/213050603.db2.gz KHLVZAFMAXBEJZ-YPMHNXCESA-N 2 1 258.369 2.122 20 0 CEADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H](CCO)c1ccccc1 ZINC000294752020 199165933 /nfs/dbraw/zinc/16/59/33/199165933.db2.gz KXIRNFSYBWIZIC-MRXNPFEDSA-N 2 1 262.397 2.042 20 0 CEADMP COc1ccsc1C[NH2+]CCC[NH+]1CCCC1 ZINC000135116710 366397877 /nfs/dbraw/zinc/39/78/77/366397877.db2.gz LJURHOVSUYLLRM-UHFFFAOYSA-N 2 1 254.399 2.332 20 0 CEADMP Cc1cnccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000294827893 199200772 /nfs/dbraw/zinc/20/07/72/199200772.db2.gz NGKGOZFBLBXCDS-HNNXBMFYSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cnccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000294827893 199200774 /nfs/dbraw/zinc/20/07/74/199200774.db2.gz NGKGOZFBLBXCDS-HNNXBMFYSA-N 2 1 259.397 2.308 20 0 CEADMP C[C@@H](CO)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000135190872 366407590 /nfs/dbraw/zinc/40/75/90/366407590.db2.gz PATHTXSHAUHQEH-LSDHHAIUSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc2ccccc2s1 ZINC000135424416 366437584 /nfs/dbraw/zinc/43/75/84/366437584.db2.gz AJCKMFKLWVRUCU-MNOVXSKESA-N 2 1 261.394 2.465 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc2ccccc2s1 ZINC000135424416 366437586 /nfs/dbraw/zinc/43/75/86/366437586.db2.gz AJCKMFKLWVRUCU-MNOVXSKESA-N 2 1 261.394 2.465 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000578435025 366493389 /nfs/dbraw/zinc/49/33/89/366493389.db2.gz HIFIRTYTQYTTNU-XEZPLFJOSA-N 2 1 289.423 2.119 20 0 CEADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000496844776 291176226 /nfs/dbraw/zinc/17/62/26/291176226.db2.gz HNBRXSZJFNSKCI-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCCNC(=O)OC(C)(C)C ZINC000496844776 291176228 /nfs/dbraw/zinc/17/62/28/291176228.db2.gz HNBRXSZJFNSKCI-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCCNC(=O)OC(C)(C)C ZINC000496844776 291176230 /nfs/dbraw/zinc/17/62/30/291176230.db2.gz HNBRXSZJFNSKCI-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000496844776 291176233 /nfs/dbraw/zinc/17/62/33/291176233.db2.gz HNBRXSZJFNSKCI-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000496844776 291176235 /nfs/dbraw/zinc/17/62/35/291176235.db2.gz HNBRXSZJFNSKCI-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP Cc1csc([C@H](C)[NH2+]CCn2cc[nH+]c2C)n1 ZINC000080313071 363656811 /nfs/dbraw/zinc/65/68/11/363656811.db2.gz UMCHXTMVGJLZTB-JTQLQIEISA-N 2 1 250.371 2.307 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)[C@H](C)[NH3+] ZINC000496912804 291183012 /nfs/dbraw/zinc/18/30/12/291183012.db2.gz QJPHQLPWLTVMGU-TUAOUCFPSA-N 2 1 277.368 2.030 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000671770667 540508370 /nfs/dbraw/zinc/50/83/70/540508370.db2.gz VZJALGYQKAQZOF-ZBFHGGJFSA-N 3 1 267.461 2.181 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000671770667 540508374 /nfs/dbraw/zinc/50/83/74/540508374.db2.gz VZJALGYQKAQZOF-ZBFHGGJFSA-N 3 1 267.461 2.181 20 0 CEADMP c1ccc(-c2ncc(C[NH2+][C@@H]3CCC[NH2+]CC3)cn2)cc1 ZINC000666855558 540510134 /nfs/dbraw/zinc/51/01/34/540510134.db2.gz ZYSFJBILPNDMNL-MRXNPFEDSA-N 2 1 282.391 2.375 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccnn1CC1CC1 ZINC000668172499 540578019 /nfs/dbraw/zinc/57/80/19/540578019.db2.gz OXPRLDZOYWNLIR-CZUORRHYSA-N 2 1 276.428 2.065 20 0 CEADMP c1cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)n(-c2cc[nH+]cc2)n1 ZINC000668114732 540569950 /nfs/dbraw/zinc/56/99/50/540569950.db2.gz BNKAGUZZOHOZCP-QGZVFWFLSA-N 2 1 298.390 2.270 20 0 CEADMP c1cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)n(-c2cc[nH+]cc2)n1 ZINC000668114732 540569952 /nfs/dbraw/zinc/56/99/52/540569952.db2.gz BNKAGUZZOHOZCP-QGZVFWFLSA-N 2 1 298.390 2.270 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000334822858 291193666 /nfs/dbraw/zinc/19/36/66/291193666.db2.gz YAGBFPYATKNLMC-UKRRQHHQSA-N 2 1 266.429 2.456 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccncn3)CC2)[nH+]1 ZINC000453119637 283479089 /nfs/dbraw/zinc/47/90/89/283479089.db2.gz KRSIZICYJOBGER-CQSZACIVSA-N 2 1 297.406 2.500 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000578741258 366541725 /nfs/dbraw/zinc/54/17/25/366541725.db2.gz NJNUZVFQUMYJLL-JKSUJKDBSA-N 2 1 268.445 2.249 20 0 CEADMP C[C@H](CCCc1cccnc1)[NH2+]CCc1c[nH+]cn1C ZINC000453194442 283496231 /nfs/dbraw/zinc/49/62/31/283496231.db2.gz JOABTWQHUDUQOH-CQSZACIVSA-N 2 1 272.396 2.359 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCN(C)Cc1ccccc1 ZINC000151029341 366614128 /nfs/dbraw/zinc/61/41/28/366614128.db2.gz RQGNEONWPNSZJR-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC[NH+](C)Cc1ccccc1 ZINC000151029341 366614130 /nfs/dbraw/zinc/61/41/30/366614130.db2.gz RQGNEONWPNSZJR-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC[NH+](C)Cc1ccccc1 ZINC000151029341 366614135 /nfs/dbraw/zinc/61/41/35/366614135.db2.gz RQGNEONWPNSZJR-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NCC[N@H+](C)Cc1ccccc1 ZINC000151029341 366614138 /nfs/dbraw/zinc/61/41/38/366614138.db2.gz RQGNEONWPNSZJR-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NCC[N@@H+](C)Cc1ccccc1 ZINC000151029341 366614141 /nfs/dbraw/zinc/61/41/41/366614141.db2.gz RQGNEONWPNSZJR-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN(C)Cc1ccccc1 ZINC000151029285 366614262 /nfs/dbraw/zinc/61/42/62/366614262.db2.gz RQGNEONWPNSZJR-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC[NH+](C)Cc1ccccc1 ZINC000151029285 366614266 /nfs/dbraw/zinc/61/42/66/366614266.db2.gz RQGNEONWPNSZJR-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC[NH+](C)Cc1ccccc1 ZINC000151029285 366614271 /nfs/dbraw/zinc/61/42/71/366614271.db2.gz RQGNEONWPNSZJR-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCC[N@H+](C)Cc1ccccc1 ZINC000151029285 366614273 /nfs/dbraw/zinc/61/42/73/366614273.db2.gz RQGNEONWPNSZJR-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCC[N@@H+](C)Cc1ccccc1 ZINC000151029285 366614278 /nfs/dbraw/zinc/61/42/78/366614278.db2.gz RQGNEONWPNSZJR-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C(C)(C)C)CC1 ZINC000579350004 366632177 /nfs/dbraw/zinc/63/21/77/366632177.db2.gz WKVDMWDKOVZEFC-UHFFFAOYSA-N 2 1 255.450 2.133 20 0 CEADMP COC1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339067578 366639194 /nfs/dbraw/zinc/63/91/94/366639194.db2.gz MNTNIQGXKBOYDG-PYBGIAKNSA-N 2 1 266.429 2.408 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579673440 366678648 /nfs/dbraw/zinc/67/86/48/366678648.db2.gz DIJGVJFOPDEMES-LJISPDSOSA-N 2 1 254.418 2.264 20 0 CEADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H](C)[NH3+])c1 ZINC000178850073 189150325 /nfs/dbraw/zinc/15/03/25/189150325.db2.gz SLJVRGXGRDVQDT-CQSZACIVSA-N 2 1 291.439 2.272 20 0 CEADMP c1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000675750219 540870847 /nfs/dbraw/zinc/87/08/47/540870847.db2.gz WMCSWHQIDPOLBY-RYQLBKOJSA-N 2 1 285.435 2.482 20 0 CEADMP c1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000675750219 540870851 /nfs/dbraw/zinc/87/08/51/540870851.db2.gz WMCSWHQIDPOLBY-RYQLBKOJSA-N 2 1 285.435 2.482 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCN2Cc3ccccc3C2)CC[N@H+]1C ZINC000675780614 540873444 /nfs/dbraw/zinc/87/34/44/540873444.db2.gz RSVFQQRQIIIUAG-WMLDXEAASA-N 2 1 273.424 2.075 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000152063472 366685018 /nfs/dbraw/zinc/68/50/18/366685018.db2.gz KRYKNCWWEMFFHV-TZMCWYRMSA-N 2 1 276.380 2.235 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000152063472 366685021 /nfs/dbraw/zinc/68/50/21/366685021.db2.gz KRYKNCWWEMFFHV-TZMCWYRMSA-N 2 1 276.380 2.235 20 0 CEADMP CC[NH2+]Cc1ccccc1NC(=O)C[N@@H+](C)C(C)C ZINC000237043608 370684083 /nfs/dbraw/zinc/68/40/83/370684083.db2.gz QXWZBOMVNVLIHT-UHFFFAOYSA-N 2 1 263.385 2.075 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CC[NH2+]CC2)C1 ZINC000237052793 370685080 /nfs/dbraw/zinc/68/50/80/370685080.db2.gz AFTGWQNDZNHHBM-AWEZNQCLSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000182259639 189318659 /nfs/dbraw/zinc/31/86/59/189318659.db2.gz GLNRUXOJMHGCTM-GUYCJALGSA-N 2 1 274.408 2.141 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000154272914 366765875 /nfs/dbraw/zinc/76/58/75/366765875.db2.gz QFCKFXVWBCDRRG-MOPGFXCFSA-N 2 1 298.430 2.483 20 0 CEADMP Cc1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)nc(C)[nH+]1 ZINC000301623048 201100554 /nfs/dbraw/zinc/10/05/54/201100554.db2.gz FGCJJBKGZVCLNS-NSHDSACASA-N 2 1 250.390 2.482 20 0 CEADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)C1CC1 ZINC000154537041 366777790 /nfs/dbraw/zinc/77/77/90/366777790.db2.gz URFDUSAIHAHTLU-INIZCTEOSA-N 2 1 267.461 2.182 20 0 CEADMP C[N@@H+](CCCNC(=O)C[C@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000340127741 366778514 /nfs/dbraw/zinc/77/85/14/366778514.db2.gz ZIEYCFXWQITUEM-GDBMZVCRSA-N 2 1 295.471 2.275 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000340190449 366797520 /nfs/dbraw/zinc/79/75/20/366797520.db2.gz GBYQZYKYEMHNKJ-JSGCOSHPSA-N 2 1 251.374 2.129 20 0 CEADMP C[N@H+](Cc1ccccc1-n1cncn1)C[C@@H]1CCC[NH+](C)C1 ZINC000678153670 541089303 /nfs/dbraw/zinc/08/93/03/541089303.db2.gz PPGMAJQLUVSZKH-OAHLLOKOSA-N 2 1 299.422 2.041 20 0 CEADMP C[NH+](Cc1ccccc1-n1cncn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000678153670 541089305 /nfs/dbraw/zinc/08/93/05/541089305.db2.gz PPGMAJQLUVSZKH-OAHLLOKOSA-N 2 1 299.422 2.041 20 0 CEADMP C[NH+](Cc1ccccc1-n1cncn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000678153670 541089308 /nfs/dbraw/zinc/08/93/08/541089308.db2.gz PPGMAJQLUVSZKH-OAHLLOKOSA-N 2 1 299.422 2.041 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000180063619 542260300 /nfs/dbraw/zinc/26/03/00/542260300.db2.gz COPOZLIFAHBBOZ-GFCCVEGCSA-N 2 1 264.417 2.489 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000571878011 299333496 /nfs/dbraw/zinc/33/34/96/299333496.db2.gz MFJBMFVYGODVAB-MRXNPFEDSA-N 2 1 270.380 2.466 20 0 CEADMP CN(CC[N@@H+](C)CCCOC(C)(C)C)C1CC[NH+](C)CC1 ZINC000678720651 541166276 /nfs/dbraw/zinc/16/62/76/541166276.db2.gz VYKZFOMLKLJOTA-UHFFFAOYSA-N 2 1 299.503 2.149 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000571878011 299333512 /nfs/dbraw/zinc/33/35/12/299333512.db2.gz MFJBMFVYGODVAB-MRXNPFEDSA-N 2 1 270.380 2.466 20 0 CEADMP c1ccc(OCCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031994798 361724331 /nfs/dbraw/zinc/72/43/31/361724331.db2.gz SXXVKGNGTXIVPG-INIZCTEOSA-N 2 1 260.381 2.141 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000679024031 541206003 /nfs/dbraw/zinc/20/60/03/541206003.db2.gz XQHWRWKVFNJCQF-YALNPMBYSA-N 2 1 296.455 2.175 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000084622859 363816088 /nfs/dbraw/zinc/81/60/88/363816088.db2.gz GEWNAFMPTHZJKG-MRXNPFEDSA-N 2 1 260.381 2.271 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000084622859 363816090 /nfs/dbraw/zinc/81/60/90/363816090.db2.gz GEWNAFMPTHZJKG-MRXNPFEDSA-N 2 1 260.381 2.271 20 0 CEADMP COc1ccccc1OCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000088413737 363895300 /nfs/dbraw/zinc/89/53/00/363895300.db2.gz YXILAPZDJKIYLN-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP CCc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000088760159 363921171 /nfs/dbraw/zinc/92/11/71/363921171.db2.gz QRGMAGHBCNWJGL-LBPRGKRZSA-N 2 1 260.385 2.244 20 0 CEADMP CCc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000088760159 363921182 /nfs/dbraw/zinc/92/11/82/363921182.db2.gz QRGMAGHBCNWJGL-LBPRGKRZSA-N 2 1 260.385 2.244 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(SC)CCOCC2)[C@H](C)C1 ZINC000090112345 364040591 /nfs/dbraw/zinc/04/05/91/364040591.db2.gz JMXJHGOAXDOLKQ-ZIAGYGMSSA-N 2 1 286.485 2.219 20 0 CEADMP C1C(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1[NH+]1CCCCC1 ZINC000334613336 364083171 /nfs/dbraw/zinc/08/31/71/364083171.db2.gz OJVYMQZHEBBGSO-ORBLRFAASA-N 2 1 277.456 2.220 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ncccc1Cl ZINC000090408824 364055849 /nfs/dbraw/zinc/05/58/49/364055849.db2.gz AHSHOSYORHYYQS-BZPMIXESSA-N 2 1 297.830 2.432 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CCC1CC[NH2+]CC1 ZINC000237548506 370732331 /nfs/dbraw/zinc/73/23/31/370732331.db2.gz OFMPDLQJQHJFBN-CABCVRRESA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)CCOCC[NH3+] ZINC000093232471 364153173 /nfs/dbraw/zinc/15/31/73/364153173.db2.gz SCKUMHDCXNNYDD-NSHDSACASA-N 2 1 256.777 2.308 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCCc2cnn(C)c2)C1 ZINC000638787784 370751053 /nfs/dbraw/zinc/75/10/53/370751053.db2.gz FECOOWOEYXWTEA-MRXNPFEDSA-N 2 1 292.471 2.310 20 0 CEADMP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)C2 ZINC000334821523 364274259 /nfs/dbraw/zinc/27/42/59/364274259.db2.gz PQZVAEGJJGEZNL-UONOGXRCSA-N 2 1 250.773 2.149 20 0 CEADMP C[N@@H+](CCCOc1ccccc1)CC1CC[NH2+]CC1 ZINC000094024308 364248080 /nfs/dbraw/zinc/24/80/80/364248080.db2.gz GWFKIBQPLWUXAF-UHFFFAOYSA-N 2 1 262.397 2.387 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000094368094 364270249 /nfs/dbraw/zinc/27/02/49/364270249.db2.gz CZDXGYUSHKUYGU-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCOc3cccc(F)c3C2)CC[NH2+]1 ZINC000334817466 364274094 /nfs/dbraw/zinc/27/40/94/364274094.db2.gz FATYVTDJEGWDRF-QWHCGFSZSA-N 2 1 278.371 2.408 20 0 CEADMP c1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)on1 ZINC000334994698 364323142 /nfs/dbraw/zinc/32/31/42/364323142.db2.gz ZHTGJVBMFMAJRM-SWLSCSKDSA-N 2 1 261.369 2.123 20 0 CEADMP CSc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000334995930 364326630 /nfs/dbraw/zinc/32/66/30/364326630.db2.gz HEEMLRHUKCWCKY-GXTWGEPZSA-N 2 1 262.422 2.450 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000679997801 541351851 /nfs/dbraw/zinc/35/18/51/541351851.db2.gz WONDOJLHSCAOHN-CABCVRRESA-N 2 1 284.469 2.115 20 0 CEADMP c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000335032450 364379264 /nfs/dbraw/zinc/37/92/64/364379264.db2.gz YTHAVIAIGCRSFV-AAEUAGOBSA-N 2 1 266.410 2.094 20 0 CEADMP c1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000335031775 364379324 /nfs/dbraw/zinc/37/93/24/364379324.db2.gz SLRTVXDEBABGBF-WBVHZDCISA-N 2 1 274.408 2.422 20 0 CEADMP Cc1ccn2cc(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)nc2c1 ZINC000335032802 364380962 /nfs/dbraw/zinc/38/09/62/364380962.db2.gz ARHJXWKKQWPTOM-DZGCQCFKSA-N 2 1 272.396 2.120 20 0 CEADMP CCN(C)c1ccc(CNC[C@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000572081218 299344005 /nfs/dbraw/zinc/34/40/05/299344005.db2.gz RLZPYWZLOJWDJT-MRXNPFEDSA-N 2 1 290.455 2.358 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000572081218 299344007 /nfs/dbraw/zinc/34/40/07/299344007.db2.gz RLZPYWZLOJWDJT-MRXNPFEDSA-N 2 1 290.455 2.358 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000572081218 299344009 /nfs/dbraw/zinc/34/40/09/299344009.db2.gz RLZPYWZLOJWDJT-MRXNPFEDSA-N 2 1 290.455 2.358 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000157749301 366849113 /nfs/dbraw/zinc/84/91/13/366849113.db2.gz JBCNFGYUFJHOIF-CVEARBPZSA-N 2 1 260.381 2.200 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH+](C)C(C)C)c1ccccc1 ZINC000103193869 364633484 /nfs/dbraw/zinc/63/34/84/364633484.db2.gz NOZVNDXLXJSDIZ-INIZCTEOSA-N 2 1 291.439 2.136 20 0 CEADMP CC[NH+](C)[C@H](C(=O)NCC[N@H+](C)C(C)C)c1ccccc1 ZINC000103193869 364633489 /nfs/dbraw/zinc/63/34/89/364633489.db2.gz NOZVNDXLXJSDIZ-INIZCTEOSA-N 2 1 291.439 2.136 20 0 CEADMP CC[NH+](C)[C@H](C(=O)NCC[N@@H+](C)C(C)C)c1ccccc1 ZINC000103193869 364633498 /nfs/dbraw/zinc/63/34/98/364633498.db2.gz NOZVNDXLXJSDIZ-INIZCTEOSA-N 2 1 291.439 2.136 20 0 CEADMP CN(Cc1ccc2c(c1)OCCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104095945 364677297 /nfs/dbraw/zinc/67/72/97/364677297.db2.gz PJDLTTPMKUSYOP-OAHLLOKOSA-N 2 1 290.407 2.231 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000104095945 364677298 /nfs/dbraw/zinc/67/72/98/364677298.db2.gz PJDLTTPMKUSYOP-OAHLLOKOSA-N 2 1 290.407 2.231 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000104095945 364677300 /nfs/dbraw/zinc/67/73/00/364677300.db2.gz PJDLTTPMKUSYOP-OAHLLOKOSA-N 2 1 290.407 2.231 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000335634193 212348962 /nfs/dbraw/zinc/34/89/62/212348962.db2.gz NBIATBGXQXWFJE-LSDHHAIUSA-N 2 1 259.397 2.212 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c(OC)c1 ZINC000112800236 364845368 /nfs/dbraw/zinc/84/53/68/364845368.db2.gz KEXIPRJQFJBQAP-AAEUAGOBSA-N 2 1 264.369 2.015 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c(OC)c1 ZINC000112800236 364845373 /nfs/dbraw/zinc/84/53/73/364845373.db2.gz KEXIPRJQFJBQAP-AAEUAGOBSA-N 2 1 264.369 2.015 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000113701115 364908165 /nfs/dbraw/zinc/90/81/65/364908165.db2.gz HUDJWYMLZNYBPL-CYBMUJFWSA-N 2 1 255.365 2.406 20 0 CEADMP C[N@H+]1CC[C@H]2CCN(Cc3ccc(-c4cc[nH]n4)o3)[C@H]2C1 ZINC000335731056 364898573 /nfs/dbraw/zinc/89/85/73/364898573.db2.gz XBCNTJDRJBFVRM-WFASDCNBSA-N 2 1 286.379 2.196 20 0 CEADMP CN1CC[C@H]2CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)[C@H]2C1 ZINC000335731056 364898581 /nfs/dbraw/zinc/89/85/81/364898581.db2.gz XBCNTJDRJBFVRM-WFASDCNBSA-N 2 1 286.379 2.196 20 0 CEADMP CN1CC[C@H]2CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)[C@H]2C1 ZINC000335731056 364898587 /nfs/dbraw/zinc/89/85/87/364898587.db2.gz XBCNTJDRJBFVRM-WFASDCNBSA-N 2 1 286.379 2.196 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000113514175 364900926 /nfs/dbraw/zinc/90/09/26/364900926.db2.gz MSXMYAAODHWOEW-ZDUSSCGKSA-N 2 1 285.391 2.324 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000113513482 364902166 /nfs/dbraw/zinc/90/21/66/364902166.db2.gz YTYLSGXJNIYQLF-HNNXBMFYSA-N 2 1 275.396 2.029 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000113513482 364902169 /nfs/dbraw/zinc/90/21/69/364902169.db2.gz YTYLSGXJNIYQLF-HNNXBMFYSA-N 2 1 275.396 2.029 20 0 CEADMP CC(=O)NCCCN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113933795 364918461 /nfs/dbraw/zinc/91/84/61/364918461.db2.gz XXHCWXMOQIQXGE-DOTOQJQBSA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113933795 364918465 /nfs/dbraw/zinc/91/84/65/364918465.db2.gz XXHCWXMOQIQXGE-DOTOQJQBSA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113933795 364918469 /nfs/dbraw/zinc/91/84/69/364918469.db2.gz XXHCWXMOQIQXGE-DOTOQJQBSA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000113933795 364918475 /nfs/dbraw/zinc/91/84/75/364918475.db2.gz XXHCWXMOQIQXGE-DOTOQJQBSA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000113933795 364918478 /nfs/dbraw/zinc/91/84/78/364918478.db2.gz XXHCWXMOQIQXGE-DOTOQJQBSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1CC[C@H]2CCN(C/C=C/c3ccncc3)[C@H]2C1 ZINC000335788411 364985094 /nfs/dbraw/zinc/98/50/94/364985094.db2.gz VAJPBPQVKXZLJH-HSSFLUBNSA-N 2 1 257.381 2.121 20 0 CEADMP Cc1csc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)n1 ZINC000117385189 365105447 /nfs/dbraw/zinc/10/54/47/365105447.db2.gz NQQKOXGNGNJQEN-SNVBAGLBSA-N 2 1 264.398 2.382 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cncc(F)c2)CC1 ZINC000335858355 365079003 /nfs/dbraw/zinc/07/90/03/365079003.db2.gz SCGDFDHGISMGKV-UHFFFAOYSA-N 2 1 263.360 2.281 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cncc(F)c2)CC1 ZINC000335858355 365079008 /nfs/dbraw/zinc/07/90/08/365079008.db2.gz SCGDFDHGISMGKV-UHFFFAOYSA-N 2 1 263.360 2.281 20 0 CEADMP COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000118843067 365185394 /nfs/dbraw/zinc/18/53/94/365185394.db2.gz NWWJBXOHFZGUAU-OAHLLOKOSA-N 2 1 290.407 2.247 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000118843067 365185396 /nfs/dbraw/zinc/18/53/96/365185396.db2.gz NWWJBXOHFZGUAU-OAHLLOKOSA-N 2 1 290.407 2.247 20 0 CEADMP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000118843067 365185397 /nfs/dbraw/zinc/18/53/97/365185397.db2.gz NWWJBXOHFZGUAU-OAHLLOKOSA-N 2 1 290.407 2.247 20 0 CEADMP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000118843067 365185402 /nfs/dbraw/zinc/18/54/02/365185402.db2.gz NWWJBXOHFZGUAU-OAHLLOKOSA-N 2 1 290.407 2.247 20 0 CEADMP C[C@@H](C1CC1)[N@@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000357023750 370802333 /nfs/dbraw/zinc/80/23/33/370802333.db2.gz DMKPUUJZEVTWDL-AWEZNQCLSA-N 2 1 262.397 2.262 20 0 CEADMP CCn1nccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000119392954 365267255 /nfs/dbraw/zinc/26/72/55/365267255.db2.gz SWAWEWZMBSFTNQ-AGUYFDCRSA-N 2 1 262.401 2.008 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2c(C)noc2C)[C@H](C)C1 ZINC000119501118 365282032 /nfs/dbraw/zinc/28/20/32/365282032.db2.gz QHMYMRWCSBFKFZ-WBMJQRKESA-N 2 1 279.428 2.496 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2c(C)noc2C)[C@H](C)C1 ZINC000119501118 365282036 /nfs/dbraw/zinc/28/20/36/365282036.db2.gz QHMYMRWCSBFKFZ-WBMJQRKESA-N 2 1 279.428 2.496 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2c(C)noc2C)[C@H](C)C1 ZINC000119501118 365282043 /nfs/dbraw/zinc/28/20/43/365282043.db2.gz QHMYMRWCSBFKFZ-WBMJQRKESA-N 2 1 279.428 2.496 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2c(C)noc2C)[C@H](C)C1 ZINC000119501118 365282048 /nfs/dbraw/zinc/28/20/48/365282048.db2.gz QHMYMRWCSBFKFZ-WBMJQRKESA-N 2 1 279.428 2.496 20 0 CEADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C1 ZINC000582221311 366879942 /nfs/dbraw/zinc/87/99/42/366879942.db2.gz PBEDHVMZTBJCPN-HLLBOEOZSA-N 2 1 290.455 2.376 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1C ZINC000336106617 365415654 /nfs/dbraw/zinc/41/56/54/365415654.db2.gz VMGMLFGMXAETDS-HUUCEWRRSA-N 2 1 260.381 2.187 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1C ZINC000336106617 365415658 /nfs/dbraw/zinc/41/56/58/365415658.db2.gz VMGMLFGMXAETDS-HUUCEWRRSA-N 2 1 260.381 2.187 20 0 CEADMP CC[C@@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120193502 365387521 /nfs/dbraw/zinc/38/75/21/365387521.db2.gz AVZBIKQNTFHFHA-PBHICJAKSA-N 2 1 276.424 2.389 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000120247685 365395354 /nfs/dbraw/zinc/39/53/54/365395354.db2.gz XSBSRICMPOBDGE-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP CC(C)c1nccc(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1 ZINC000120607034 365449512 /nfs/dbraw/zinc/44/95/12/365449512.db2.gz QMWARKRWVTZGAF-ZIAGYGMSSA-N 2 1 290.411 2.265 20 0 CEADMP CCOC1(C[NH2+]C2CC[NH+](CCOC)CC2)CCCC1 ZINC000340467734 366895065 /nfs/dbraw/zinc/89/50/65/366895065.db2.gz XRBOHGXUNFFYFP-UHFFFAOYSA-N 2 1 284.444 2.036 20 0 CEADMP CC[C@H](Cn1cncn1)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340475509 366900946 /nfs/dbraw/zinc/90/09/46/366900946.db2.gz SCFJOPLDLGIMSK-OWCLPIDISA-N 2 1 293.459 2.014 20 0 CEADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000340483877 366903373 /nfs/dbraw/zinc/90/33/73/366903373.db2.gz LDBACFVCRBMDDM-BBWFWOEESA-N 2 1 280.456 2.392 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000582838710 366964615 /nfs/dbraw/zinc/96/46/15/366964615.db2.gz WRXUPNHEMWQBRQ-ILXRZTDVSA-N 2 1 267.461 2.322 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000582838710 366964620 /nfs/dbraw/zinc/96/46/20/366964620.db2.gz WRXUPNHEMWQBRQ-ILXRZTDVSA-N 2 1 267.461 2.322 20 0 CEADMP CC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000340714766 367000669 /nfs/dbraw/zinc/00/06/69/367000669.db2.gz ZHNWSFNRDVFXDQ-SJORKVTESA-N 2 1 276.424 2.259 20 0 CEADMP C[C@H]1CCC[N@H+]1C1CCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000162586065 367171465 /nfs/dbraw/zinc/17/14/65/367171465.db2.gz WDGLDKLPQUQEFS-HOTGVXAUSA-N 2 1 279.472 2.419 20 0 CEADMP C[C@H]1CCC[NH+]1C1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162586065 367171467 /nfs/dbraw/zinc/17/14/67/367171467.db2.gz WDGLDKLPQUQEFS-HOTGVXAUSA-N 2 1 279.472 2.419 20 0 CEADMP C[C@H]1CCC[NH+]1C1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000162586065 367171471 /nfs/dbraw/zinc/17/14/71/367171471.db2.gz WDGLDKLPQUQEFS-HOTGVXAUSA-N 2 1 279.472 2.419 20 0 CEADMP CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[NH+](C)C ZINC000162338772 367152919 /nfs/dbraw/zinc/15/29/19/367152919.db2.gz HCHBPMBLSJKORL-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP COCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245650341 370854410 /nfs/dbraw/zinc/85/44/10/370854410.db2.gz CIFBITFGKOMBSW-OSYLJGHBSA-N 2 1 274.408 2.418 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000163177863 367222762 /nfs/dbraw/zinc/22/27/62/367222762.db2.gz VGMXQCOQBDYIKU-QWRGUYRKSA-N 2 1 270.323 2.457 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000163177863 367222768 /nfs/dbraw/zinc/22/27/68/367222768.db2.gz VGMXQCOQBDYIKU-QWRGUYRKSA-N 2 1 270.323 2.457 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000245704488 370859691 /nfs/dbraw/zinc/85/96/91/370859691.db2.gz YGRWHSKEJVPGOG-NVXWUHKLSA-N 2 1 296.455 2.131 20 0 CEADMP Cn1cc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)cn1 ZINC000245704479 370860059 /nfs/dbraw/zinc/86/00/59/370860059.db2.gz YGLFQRXTDIOUFI-CABCVRRESA-N 2 1 262.401 2.041 20 0 CEADMP Cn1cc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)cn1 ZINC000245704479 370860062 /nfs/dbraw/zinc/86/00/62/370860062.db2.gz YGLFQRXTDIOUFI-CABCVRRESA-N 2 1 262.401 2.041 20 0 CEADMP Cn1cc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cn1 ZINC000245704479 370860066 /nfs/dbraw/zinc/86/00/66/370860066.db2.gz YGLFQRXTDIOUFI-CABCVRRESA-N 2 1 262.401 2.041 20 0 CEADMP Cn1cc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)cn1 ZINC000245704479 370860071 /nfs/dbraw/zinc/86/00/71/370860071.db2.gz YGLFQRXTDIOUFI-CABCVRRESA-N 2 1 262.401 2.041 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245596260 370846425 /nfs/dbraw/zinc/84/64/25/370846425.db2.gz HODXRPCZRKQHQT-HIFRSBDPSA-N 2 1 276.428 2.214 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245596260 370846431 /nfs/dbraw/zinc/84/64/31/370846431.db2.gz HODXRPCZRKQHQT-HIFRSBDPSA-N 2 1 276.428 2.214 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000245596260 370846436 /nfs/dbraw/zinc/84/64/36/370846436.db2.gz HODXRPCZRKQHQT-HIFRSBDPSA-N 2 1 276.428 2.214 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000245596260 370846440 /nfs/dbraw/zinc/84/64/40/370846440.db2.gz HODXRPCZRKQHQT-HIFRSBDPSA-N 2 1 276.428 2.214 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000245705660 370860259 /nfs/dbraw/zinc/86/02/59/370860259.db2.gz YMWYIPFWUNAURR-ZFWWWQNUSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000245705660 370860264 /nfs/dbraw/zinc/86/02/64/370860264.db2.gz YMWYIPFWUNAURR-ZFWWWQNUSA-N 2 1 265.401 2.207 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000163416183 367237933 /nfs/dbraw/zinc/23/79/33/367237933.db2.gz VCLZOWYJOVOGAP-AAEUAGOBSA-N 2 1 266.360 2.251 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000163416183 367237936 /nfs/dbraw/zinc/23/79/36/367237936.db2.gz VCLZOWYJOVOGAP-AAEUAGOBSA-N 2 1 266.360 2.251 20 0 CEADMP C[NH+](C)C1(C[NH2+]C2CCN(CC(F)F)CC2)CCCC1 ZINC000341441368 367338836 /nfs/dbraw/zinc/33/88/36/367338836.db2.gz NGTLULJZVKADLH-UHFFFAOYSA-N 2 1 289.414 2.180 20 0 CEADMP C[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000164566925 367289928 /nfs/dbraw/zinc/28/99/28/367289928.db2.gz OVUPPUOECPPSDM-QWHCGFSZSA-N 2 1 275.396 2.347 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000166371070 367320999 /nfs/dbraw/zinc/32/09/99/367320999.db2.gz IHKHOCNXSZPRNF-UONOGXRCSA-N 2 1 283.460 2.131 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631579055 367416177 /nfs/dbraw/zinc/41/61/77/367416177.db2.gz BSMOBIBYVIYPFZ-UGUYLWEFSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000631580336 367416770 /nfs/dbraw/zinc/41/67/70/367416770.db2.gz MCTFIPJBUXZVNC-UKRRQHHQSA-N 2 1 289.423 2.001 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CC1 ZINC000631635538 367455037 /nfs/dbraw/zinc/45/50/37/367455037.db2.gz MJVPGWVOEQARAO-JYJNAYRXSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H]1OCC[C@@H]1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000631825277 367562528 /nfs/dbraw/zinc/56/25/28/367562528.db2.gz DOIQXYNKLAGPOG-GDBMZVCRSA-N 2 1 262.397 2.262 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000631825279 367562642 /nfs/dbraw/zinc/56/26/42/367562642.db2.gz DOIQXYNKLAGPOG-HOCLYGCPSA-N 2 1 262.397 2.262 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cccc3c2CCOC3)CC[N@H+]1C ZINC000631730069 367507687 /nfs/dbraw/zinc/50/76/87/367507687.db2.gz VOBTWUQPXFUSFJ-XJKSGUPXSA-N 2 1 274.408 2.332 20 0 CEADMP C[C@H]1C[N@H+](Cc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000631838446 367578623 /nfs/dbraw/zinc/57/86/23/367578623.db2.gz OPXXCPHKHMEIST-CMPLNLGQSA-N 2 1 283.213 2.476 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000631838446 367578630 /nfs/dbraw/zinc/57/86/30/367578630.db2.gz OPXXCPHKHMEIST-CMPLNLGQSA-N 2 1 283.213 2.476 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@H]1C[NH3+] ZINC000631840686 367580425 /nfs/dbraw/zinc/58/04/25/367580425.db2.gz DTMNUPMAEDPCBM-CMPLNLGQSA-N 2 1 270.323 2.315 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@H]1C[NH3+] ZINC000631837633 367576668 /nfs/dbraw/zinc/57/66/68/367576668.db2.gz VISJGSYZZWGELQ-IUODEOHRSA-N 2 1 255.365 2.261 20 0 CEADMP FC(F)(F)COCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886551 367609379 /nfs/dbraw/zinc/60/93/79/367609379.db2.gz IKYKAIUPSHQASK-NWDGAFQWSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886551 367609383 /nfs/dbraw/zinc/60/93/83/367609383.db2.gz IKYKAIUPSHQASK-NWDGAFQWSA-N 2 1 280.334 2.029 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccncc2C)C1 ZINC000572515268 299376116 /nfs/dbraw/zinc/37/61/16/299376116.db2.gz VCGHORMINXDFAH-OAHLLOKOSA-N 2 1 261.413 2.206 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2ccncc2C)C1 ZINC000572515268 299376118 /nfs/dbraw/zinc/37/61/18/299376118.db2.gz VCGHORMINXDFAH-OAHLLOKOSA-N 2 1 261.413 2.206 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccncc2C)C1 ZINC000572515268 299376122 /nfs/dbraw/zinc/37/61/22/299376122.db2.gz VCGHORMINXDFAH-OAHLLOKOSA-N 2 1 261.413 2.206 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4c[nH]nc4c3)CC[C@H]21 ZINC000245735155 370866727 /nfs/dbraw/zinc/86/67/27/370866727.db2.gz FOQWUTZPHRTOKV-DOTOQJQBSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)CC[C@H]21 ZINC000245735155 370866731 /nfs/dbraw/zinc/86/67/31/370866731.db2.gz FOQWUTZPHRTOKV-DOTOQJQBSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)CC[C@H]21 ZINC000245735155 370866735 /nfs/dbraw/zinc/86/67/35/370866735.db2.gz FOQWUTZPHRTOKV-DOTOQJQBSA-N 2 1 284.407 2.479 20 0 CEADMP c1csc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000358038939 370879334 /nfs/dbraw/zinc/87/93/34/370879334.db2.gz PPYDSTIARVLQCT-QWHCGFSZSA-N 2 1 265.426 2.292 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000358037707 370879668 /nfs/dbraw/zinc/87/96/68/370879668.db2.gz MPKAGWXDBYWYNW-HIFRSBDPSA-N 2 1 286.423 2.275 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1cccc(F)c1 ZINC000358020834 370872850 /nfs/dbraw/zinc/87/28/50/370872850.db2.gz MAUAXTPCQVYYTC-WFASDCNBSA-N 2 1 266.360 2.134 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000343643602 367935404 /nfs/dbraw/zinc/93/54/04/367935404.db2.gz QSGWPRIUCLGMFL-YYIAUSFCSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000358080038 370896621 /nfs/dbraw/zinc/89/66/21/370896621.db2.gz FNIIDVHHLVUMAQ-MCIONIFRSA-N 2 1 284.444 2.427 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000343694261 367959018 /nfs/dbraw/zinc/95/90/18/367959018.db2.gz OMVYQCJEUOBXNF-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000343694261 367959023 /nfs/dbraw/zinc/95/90/23/367959023.db2.gz OMVYQCJEUOBXNF-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000343694261 367959027 /nfs/dbraw/zinc/95/90/27/367959027.db2.gz OMVYQCJEUOBXNF-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000343694261 367959030 /nfs/dbraw/zinc/95/90/30/367959030.db2.gz OMVYQCJEUOBXNF-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP C[C@H]1CN(C)C[C@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000343698912 367959236 /nfs/dbraw/zinc/95/92/36/367959236.db2.gz XIMGUNFEECPKJJ-QLFBSQMISA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H]1CN(C)C[C@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000343698912 367959241 /nfs/dbraw/zinc/95/92/41/367959241.db2.gz XIMGUNFEECPKJJ-QLFBSQMISA-N 2 1 267.461 2.037 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc[nH]c2)[C@H](C)C1 ZINC000175710773 368166962 /nfs/dbraw/zinc/16/69/62/368166962.db2.gz ONAXHXFGIANOIR-GDBMZVCRSA-N 2 1 279.428 2.241 20 0 CEADMP OC1([C@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)CC1 ZINC000572604957 299383875 /nfs/dbraw/zinc/38/38/75/299383875.db2.gz TZPINUPTLYXJGN-OAHLLOKOSA-N 2 1 266.429 2.242 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000181742325 368490636 /nfs/dbraw/zinc/49/06/36/368490636.db2.gz ALFBLICRXNPLIS-GDBMZVCRSA-N 2 1 268.445 2.392 20 0 CEADMP CCc1nn(C)cc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000682671577 541695214 /nfs/dbraw/zinc/69/52/14/541695214.db2.gz YRBFSMFWUHAPOF-UHFFFAOYSA-N 2 1 276.428 2.043 20 0 CEADMP c1cn(CCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000182799062 368591757 /nfs/dbraw/zinc/59/17/57/368591757.db2.gz RNFJAHVDWWTEFQ-INIZCTEOSA-N 2 1 276.428 2.081 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOC[C@H](C)C1 ZINC000346224773 368599350 /nfs/dbraw/zinc/59/93/50/368599350.db2.gz QTMZIVCJHMLQJE-CYBMUJFWSA-N 2 1 286.379 2.044 20 0 CEADMP CCC[N@@H+](C)CC(=O)N(CC)CC[NH+]1CCCCCC1 ZINC000346307136 368629307 /nfs/dbraw/zinc/62/93/07/368629307.db2.gz IDJWGXWLEXSOAQ-UHFFFAOYSA-N 2 1 283.460 2.053 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCCCO2)CC[N@H+]1C ZINC000183988978 368662656 /nfs/dbraw/zinc/66/26/56/368662656.db2.gz WAWDVAYIQZTVPH-KFWWJZLASA-N 2 1 254.418 2.408 20 0 CEADMP Cc1ccc(OCC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000358092731 370901874 /nfs/dbraw/zinc/90/18/74/370901874.db2.gz XPRNSFMIFPWWHJ-ZBFHGGJFSA-N 2 1 262.397 2.304 20 0 CEADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358149319 370924737 /nfs/dbraw/zinc/92/47/37/370924737.db2.gz YYDLBGDJHKDYMU-OVHOFWQVSA-N 2 1 294.826 2.400 20 0 CEADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358149319 370924740 /nfs/dbraw/zinc/92/47/40/370924740.db2.gz YYDLBGDJHKDYMU-OVHOFWQVSA-N 2 1 294.826 2.400 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)NC2)cc1 ZINC000358101395 370906309 /nfs/dbraw/zinc/90/63/09/370906309.db2.gz UMNXSLZWSJEFOL-DOMZBBRYSA-N 2 1 298.390 2.110 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC2(C)CCCCCC2)C1 ZINC000358121654 370914100 /nfs/dbraw/zinc/91/41/00/370914100.db2.gz SLHZZSSKUIINOS-OAHLLOKOSA-N 2 1 254.418 2.003 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC2(C)CCCCCC2)C1 ZINC000358121654 370914104 /nfs/dbraw/zinc/91/41/04/370914104.db2.gz SLHZZSSKUIINOS-OAHLLOKOSA-N 2 1 254.418 2.003 20 0 CEADMP CC[NH+](CC)CCOCC[NH2+]Cc1nc2ccccc2o1 ZINC000639058800 370935278 /nfs/dbraw/zinc/93/52/78/370935278.db2.gz IEORRGZJHSCGNE-UHFFFAOYSA-N 2 1 291.395 2.276 20 0 CEADMP COc1cc2c(c(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)c1)O[C@@H](C)C2 ZINC000346670645 368763321 /nfs/dbraw/zinc/76/33/21/368763321.db2.gz GRWJHANOAGRFPA-AVGNSLFASA-N 2 1 290.407 2.188 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1-c1cccs1 ZINC000346682119 368767073 /nfs/dbraw/zinc/76/70/73/368767073.db2.gz PENMSPAIYGNFBE-NWDGAFQWSA-N 2 1 290.436 2.318 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1-c1cccs1 ZINC000346682120 368767634 /nfs/dbraw/zinc/76/76/34/368767634.db2.gz PENMSPAIYGNFBE-RYUDHWBXSA-N 2 1 290.436 2.318 20 0 CEADMP COc1c(C)cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1C ZINC000346688579 368770447 /nfs/dbraw/zinc/77/04/47/368770447.db2.gz XZFDRZPGUNRCKZ-DZGCQCFKSA-N 2 1 262.397 2.481 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000346693491 368776448 /nfs/dbraw/zinc/77/64/48/368776448.db2.gz NIKOVQPWZWLQBB-RYUDHWBXSA-N 2 1 288.370 2.385 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000346641342 368746686 /nfs/dbraw/zinc/74/66/86/368746686.db2.gz BOGTTWJCWHMGIS-AAEUAGOBSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000346644887 368748210 /nfs/dbraw/zinc/74/82/10/368748210.db2.gz NNQLFFIWIZVYFC-PBHICJAKSA-N 2 1 284.407 2.101 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000346644887 368748215 /nfs/dbraw/zinc/74/82/15/368748215.db2.gz NNQLFFIWIZVYFC-PBHICJAKSA-N 2 1 284.407 2.101 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000346650562 368751755 /nfs/dbraw/zinc/75/17/55/368751755.db2.gz CSCHTMITJMQLFS-JSGCOSHPSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000346650562 368751760 /nfs/dbraw/zinc/75/17/60/368751760.db2.gz CSCHTMITJMQLFS-JSGCOSHPSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000346650562 368751766 /nfs/dbraw/zinc/75/17/66/368751766.db2.gz CSCHTMITJMQLFS-JSGCOSHPSA-N 2 1 270.380 2.246 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1CCOC(C)(C)C1)C1CC1 ZINC000634684077 368812561 /nfs/dbraw/zinc/81/25/61/368812561.db2.gz GQMPABVZICSIRO-ZDUSSCGKSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)O1 ZINC000634687995 368816005 /nfs/dbraw/zinc/81/60/05/368816005.db2.gz FCXPFRLKDMBKEC-LVQVYYBASA-N 2 1 266.429 2.266 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(O)cc(F)c1 ZINC000185516491 368818920 /nfs/dbraw/zinc/81/89/20/368818920.db2.gz DQJXVTPXMGSEFQ-NSHDSACASA-N 2 1 277.343 2.462 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000634732929 368845288 /nfs/dbraw/zinc/84/52/88/368845288.db2.gz RYSLRHBJNHRIAX-INIZCTEOSA-N 3 1 279.472 2.229 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000346694241 368778144 /nfs/dbraw/zinc/77/81/44/368778144.db2.gz SWTTZMKLUPQCIH-STQMWFEESA-N 2 1 270.380 2.246 20 0 CEADMP C[C@H](C[N@@H+](C)CC1CC[NH2+]CC1)c1nccs1 ZINC000346994314 368795474 /nfs/dbraw/zinc/79/54/74/368795474.db2.gz VIFZZLYNVMKTJZ-LLVKDONJSA-N 2 1 253.415 2.178 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348061781 368880946 /nfs/dbraw/zinc/88/09/46/368880946.db2.gz WUAXWMVPRGGBGH-JHJVBQTASA-N 2 1 294.361 2.418 20 0 CEADMP CC[C@@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000348114598 368904068 /nfs/dbraw/zinc/90/40/68/368904068.db2.gz SYZFHIJUHUTHGF-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)NC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749026 368853664 /nfs/dbraw/zinc/85/36/64/368853664.db2.gz FHKGXTOFWXOJIH-GJZGRUSLSA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000348204448 368948855 /nfs/dbraw/zinc/94/88/55/368948855.db2.gz SOVWJTUVWZHEDZ-IKGGRYGDSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000348204448 368948860 /nfs/dbraw/zinc/94/88/60/368948860.db2.gz SOVWJTUVWZHEDZ-IKGGRYGDSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000348204448 368948865 /nfs/dbraw/zinc/94/88/65/368948865.db2.gz SOVWJTUVWZHEDZ-IKGGRYGDSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000348204448 368948870 /nfs/dbraw/zinc/94/88/70/368948870.db2.gz SOVWJTUVWZHEDZ-IKGGRYGDSA-N 2 1 295.471 2.192 20 0 CEADMP COCC(C)(C)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000348321197 369001956 /nfs/dbraw/zinc/00/19/56/369001956.db2.gz MJLZXPCLQVOOMN-ZIAGYGMSSA-N 2 1 256.434 2.369 20 0 CEADMP CN(CCC[NH+]1CCCC1)Cc1ncc(C[NH+](C)C)s1 ZINC000348360774 369017885 /nfs/dbraw/zinc/01/78/85/369017885.db2.gz QXJBBEWPJQIVKN-UHFFFAOYSA-N 2 1 296.484 2.122 20 0 CEADMP Clc1ccccc1CC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996045 369024920 /nfs/dbraw/zinc/02/49/20/369024920.db2.gz XSKUJGAXYDCJAU-UHFFFAOYSA-N 2 1 250.773 2.224 20 0 CEADMP CC(C)[C@H](C[NH3+])C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000634997250 369026571 /nfs/dbraw/zinc/02/65/71/369026571.db2.gz HFZNUKFWJANBLG-GFCCVEGCSA-N 2 1 264.417 2.025 20 0 CEADMP OC[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000634997419 369028330 /nfs/dbraw/zinc/02/83/30/369028330.db2.gz KWBWAUDUCGSYFW-CYBMUJFWSA-N 2 1 288.313 2.080 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998553 369032307 /nfs/dbraw/zinc/03/23/07/369032307.db2.gz HFOHQZYQVFEBSR-BXUZGUMPSA-N 2 1 278.444 2.282 20 0 CEADMP CCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1OC ZINC000635000106 369035155 /nfs/dbraw/zinc/03/51/55/369035155.db2.gz HFXGREXOZBXFKG-TZMCWYRMSA-N 2 1 278.396 2.121 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[C@H]([NH3+])Cc2ccccc2)[C@H](C)C1 ZINC000635009758 369044964 /nfs/dbraw/zinc/04/49/64/369044964.db2.gz WIAQAQNJKCHOCX-NJAFHUGGSA-N 2 1 289.467 2.266 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)[C@H](C)C1 ZINC000635009758 369044968 /nfs/dbraw/zinc/04/49/68/369044968.db2.gz WIAQAQNJKCHOCX-NJAFHUGGSA-N 3 1 289.467 2.266 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)[C@H](C)C1 ZINC000635009758 369044975 /nfs/dbraw/zinc/04/49/75/369044975.db2.gz WIAQAQNJKCHOCX-NJAFHUGGSA-N 3 1 289.467 2.266 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000186510089 368986509 /nfs/dbraw/zinc/98/65/09/368986509.db2.gz JZJGGFXIIXXOKD-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC[C@H]2CCOC2)C1 ZINC000682805926 541716637 /nfs/dbraw/zinc/71/66/37/541716637.db2.gz QQNKNPFWGBTKLJ-GJZGRUSLSA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000682805926 541716640 /nfs/dbraw/zinc/71/66/40/541716640.db2.gz QQNKNPFWGBTKLJ-GJZGRUSLSA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000682805926 541716641 /nfs/dbraw/zinc/71/66/41/541716641.db2.gz QQNKNPFWGBTKLJ-GJZGRUSLSA-N 2 1 254.418 2.077 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC000635443831 369174506 /nfs/dbraw/zinc/17/45/06/369174506.db2.gz LUJQWUJPOGRENV-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP COC[C@H](C)C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000187671106 369199276 /nfs/dbraw/zinc/19/92/76/369199276.db2.gz UPDOCEKUWXTZJV-LSDHHAIUSA-N 2 1 256.434 2.371 20 0 CEADMP COCC[N@@H+](CCC[NH+](C)C)C[C@@H]1CC=CCC1 ZINC000349064770 369233578 /nfs/dbraw/zinc/23/35/78/369233578.db2.gz WJXKFDDGONXGTI-OAHLLOKOSA-N 2 1 254.418 2.243 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCCC[C@@H]1C ZINC000349091714 369242401 /nfs/dbraw/zinc/24/24/01/369242401.db2.gz ZJIGZMUMZDLZFJ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000349091714 369242409 /nfs/dbraw/zinc/24/24/09/369242409.db2.gz ZJIGZMUMZDLZFJ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000349091714 369242414 /nfs/dbraw/zinc/24/24/14/369242414.db2.gz ZJIGZMUMZDLZFJ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635922008 369406020 /nfs/dbraw/zinc/40/60/20/369406020.db2.gz OFTIXLSYDPXUEZ-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC12CCCC2 ZINC000189063369 369450605 /nfs/dbraw/zinc/45/06/05/369450605.db2.gz JAYJRYCMRSOYTH-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)CC[NH3+])cc1)C(C)C ZINC000349972397 369471815 /nfs/dbraw/zinc/47/18/15/369471815.db2.gz ZKSLWPUVIIDYAW-CQSZACIVSA-N 2 1 291.439 2.384 20 0 CEADMP Cc1ncc([C@@H](C)N(C)C[C@@H]2CC[N@@H+](C)C2)c(C)n1 ZINC000639079940 370952708 /nfs/dbraw/zinc/95/27/08/370952708.db2.gz HIOTXPBLLCPWPK-TZMCWYRMSA-N 2 1 262.401 2.038 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2CCC2CCOCC2)CC1 ZINC000639082803 370955801 /nfs/dbraw/zinc/95/58/01/370955801.db2.gz XLVOPAYVOMOAIL-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246596986 370983230 /nfs/dbraw/zinc/98/32/30/370983230.db2.gz ZVVJVNDFIYAGOT-ZACQAIPSSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246596986 370983236 /nfs/dbraw/zinc/98/32/36/370983236.db2.gz ZVVJVNDFIYAGOT-ZACQAIPSSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246596986 370983241 /nfs/dbraw/zinc/98/32/41/370983241.db2.gz ZVVJVNDFIYAGOT-ZACQAIPSSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246596986 370983246 /nfs/dbraw/zinc/98/32/46/370983246.db2.gz ZVVJVNDFIYAGOT-ZACQAIPSSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246596986 370983250 /nfs/dbraw/zinc/98/32/50/370983250.db2.gz ZVVJVNDFIYAGOT-ZACQAIPSSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246596986 370983255 /nfs/dbraw/zinc/98/32/55/370983255.db2.gz ZVVJVNDFIYAGOT-ZACQAIPSSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246596986 370983261 /nfs/dbraw/zinc/98/32/61/370983261.db2.gz ZVVJVNDFIYAGOT-ZACQAIPSSA-N 3 1 281.488 2.427 20 0 CEADMP COCC[N@@H+](C)CCCNc1ccncc1Cl ZINC000189429456 369515859 /nfs/dbraw/zinc/51/58/59/369515859.db2.gz CXLKSDUOCXBOQX-UHFFFAOYSA-N 2 1 257.765 2.115 20 0 CEADMP COCC[N@H+](C)CCCNc1cc[nH+]cc1Cl ZINC000189429456 369515867 /nfs/dbraw/zinc/51/58/67/369515867.db2.gz CXLKSDUOCXBOQX-UHFFFAOYSA-N 2 1 257.765 2.115 20 0 CEADMP COCC[N@@H+](C)CCCNc1cc[nH+]cc1Cl ZINC000189429456 369515872 /nfs/dbraw/zinc/51/58/72/369515872.db2.gz CXLKSDUOCXBOQX-UHFFFAOYSA-N 2 1 257.765 2.115 20 0 CEADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358261853 370980338 /nfs/dbraw/zinc/98/03/38/370980338.db2.gz ZTBBAKDEKKKYLB-OKZBNKHCSA-N 2 1 288.435 2.287 20 0 CEADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358261853 370980340 /nfs/dbraw/zinc/98/03/40/370980340.db2.gz ZTBBAKDEKKKYLB-OKZBNKHCSA-N 2 1 288.435 2.287 20 0 CEADMP Cn1nccc1-c1ccccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000352029374 369663050 /nfs/dbraw/zinc/66/30/50/369663050.db2.gz REQKZEYBWIMZHN-UHFFFAOYSA-N 2 1 284.407 2.271 20 0 CEADMP Cc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1C ZINC000191012897 369667666 /nfs/dbraw/zinc/66/76/66/369667666.db2.gz YDSDWLKFUIDIES-UHFFFAOYSA-N 2 1 289.467 2.373 20 0 CEADMP COCCN(CC[C@@H]1CCC[N@H+]1C)Cc1cccnc1 ZINC000191114868 369680530 /nfs/dbraw/zinc/68/05/30/369680530.db2.gz DKSLPMRSDHLSEX-INIZCTEOSA-N 2 1 277.412 2.014 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352526368 369774048 /nfs/dbraw/zinc/77/40/48/369774048.db2.gz MYEYKOOPHVMANK-HNNXBMFYSA-N 2 1 264.417 2.476 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352526368 369774052 /nfs/dbraw/zinc/77/40/52/369774052.db2.gz MYEYKOOPHVMANK-HNNXBMFYSA-N 2 1 264.417 2.476 20 0 CEADMP CCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000352813083 369891462 /nfs/dbraw/zinc/89/14/62/369891462.db2.gz JHIPFGDBLHIOOG-JKSUJKDBSA-N 2 1 259.397 2.360 20 0 CEADMP CCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000352813083 369891464 /nfs/dbraw/zinc/89/14/64/369891464.db2.gz JHIPFGDBLHIOOG-JKSUJKDBSA-N 2 1 259.397 2.360 20 0 CEADMP C[N@@H+](C[C@@H](O)CC1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353156923 370044843 /nfs/dbraw/zinc/04/48/43/370044843.db2.gz UJVHVDVLBITGIZ-WFVVYAPDSA-N 2 1 280.456 2.485 20 0 CEADMP C[NH+](C[C@@H](O)CC1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353156923 370044848 /nfs/dbraw/zinc/04/48/48/370044848.db2.gz UJVHVDVLBITGIZ-WFVVYAPDSA-N 2 1 280.456 2.485 20 0 CEADMP C[NH+](C[C@@H](O)CC1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353156923 370044853 /nfs/dbraw/zinc/04/48/53/370044853.db2.gz UJVHVDVLBITGIZ-WFVVYAPDSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353494648 370114548 /nfs/dbraw/zinc/11/45/48/370114548.db2.gz DIARCRPXOIYXBN-CWVYHPPDSA-N 2 1 266.429 2.406 20 0 CEADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353515906 370114734 /nfs/dbraw/zinc/11/47/34/370114734.db2.gz IIVLDIFFNAZVOS-FPCVCCKLSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1ccc(C[N@@H+](CCO)C2CCN(C)CC2)c(F)c1 ZINC000637815368 370086434 /nfs/dbraw/zinc/08/64/34/370086434.db2.gz TZXQRTRHFGPYMU-UHFFFAOYSA-N 2 1 280.387 2.023 20 0 CEADMP Cc1ccc(C[N@H+](CCO)C2CCN(C)CC2)c(F)c1 ZINC000637815368 370086440 /nfs/dbraw/zinc/08/64/40/370086440.db2.gz TZXQRTRHFGPYMU-UHFFFAOYSA-N 2 1 280.387 2.023 20 0 CEADMP C[N@@H+]1C[C@H]2CN(Cc3ccc4c(c3)CC(C)(C)O4)C[C@H]2C1 ZINC000194537173 370048788 /nfs/dbraw/zinc/04/87/88/370048788.db2.gz LAASBFQBTWGDPY-IYBDPMFKSA-N 2 1 286.419 2.394 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CC(C)(C)O4)C[C@@H]2C1 ZINC000194537173 370048790 /nfs/dbraw/zinc/04/87/90/370048790.db2.gz LAASBFQBTWGDPY-IYBDPMFKSA-N 2 1 286.419 2.394 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C[C@@H]2C1 ZINC000194537173 370048806 /nfs/dbraw/zinc/04/88/06/370048806.db2.gz LAASBFQBTWGDPY-IYBDPMFKSA-N 2 1 286.419 2.394 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccccn2)CCC1 ZINC000353998156 370171482 /nfs/dbraw/zinc/17/14/82/370171482.db2.gz UQCJIYYZKOFXQU-LSDHHAIUSA-N 2 1 273.424 2.433 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000353934201 370143457 /nfs/dbraw/zinc/14/34/57/370143457.db2.gz SAKDXXWYIXLQGO-UHFFFAOYSA-N 2 1 284.444 2.430 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCC[C@H]2CCO2)CC1 ZINC000637888832 370148425 /nfs/dbraw/zinc/14/84/25/370148425.db2.gz KKTQVXPHIOAICA-HNNXBMFYSA-N 2 1 254.418 2.360 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCOCC1 ZINC000353970568 370158515 /nfs/dbraw/zinc/15/85/15/370158515.db2.gz FLLBUPNHAWMZQC-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCOCC1 ZINC000353970568 370158518 /nfs/dbraw/zinc/15/85/18/370158518.db2.gz FLLBUPNHAWMZQC-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CCSCC1 ZINC000354178914 370246191 /nfs/dbraw/zinc/24/61/91/370246191.db2.gz BDLHPBRVXLHBII-BXUZGUMPSA-N 2 1 256.459 2.448 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC=CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000354041003 370191456 /nfs/dbraw/zinc/19/14/56/370191456.db2.gz QFQVFYPYQPCXND-KZNAEPCWSA-N 2 1 291.483 2.301 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CCCC1 ZINC000354327360 370316332 /nfs/dbraw/zinc/31/63/32/370316332.db2.gz GVDCWYHSBDANJT-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP C(C[C@@H]1CCO1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000638122177 370318243 /nfs/dbraw/zinc/31/82/43/370318243.db2.gz LTIVRXWFKUQQQR-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP CC[C@@H](C)[C@H](C[N@@H+](C)CC1CC[NH+](C)CC1)OC ZINC000638030193 370255715 /nfs/dbraw/zinc/25/57/15/370255715.db2.gz ZXZBVMNQKFRSTK-HIFRSBDPSA-N 2 1 256.434 2.321 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(=O)[nH]c2)C[C@@H]1C ZINC000638110711 370307596 /nfs/dbraw/zinc/30/75/96/370307596.db2.gz OWZNSWGYMTWSBE-GXTWGEPZSA-N 2 1 263.385 2.092 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(=O)[nH]c2)C[C@@H]1C ZINC000638110711 370307600 /nfs/dbraw/zinc/30/76/00/370307600.db2.gz OWZNSWGYMTWSBE-GXTWGEPZSA-N 2 1 263.385 2.092 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(=O)[nH]c2)C[C@@H]1C ZINC000638110711 370307604 /nfs/dbraw/zinc/30/76/04/370307604.db2.gz OWZNSWGYMTWSBE-GXTWGEPZSA-N 2 1 263.385 2.092 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2-n2cncn2)CC1 ZINC000683357928 541796474 /nfs/dbraw/zinc/79/64/74/541796474.db2.gz ZMYWQXXXZGFBNO-INIZCTEOSA-N 2 1 299.422 2.183 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2-n2cncn2)CC1 ZINC000683357928 541796477 /nfs/dbraw/zinc/79/64/77/541796477.db2.gz ZMYWQXXXZGFBNO-INIZCTEOSA-N 2 1 299.422 2.183 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000354410472 370351510 /nfs/dbraw/zinc/35/15/10/370351510.db2.gz DMTIZDGRBFLGKS-QLFBSQMISA-N 2 1 284.444 2.286 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000354410472 370351515 /nfs/dbraw/zinc/35/15/15/370351515.db2.gz DMTIZDGRBFLGKS-QLFBSQMISA-N 2 1 284.444 2.286 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000227067348 370357838 /nfs/dbraw/zinc/35/78/38/370357838.db2.gz IZZSPSNFRXXTRW-BBRMVZONSA-N 2 1 278.396 2.133 20 0 CEADMP O=c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c[nH]1 ZINC000638178799 370360071 /nfs/dbraw/zinc/36/00/71/370360071.db2.gz GXPPZXRGDBLDMK-GOEBONIOSA-N 2 1 287.407 2.236 20 0 CEADMP O=c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c[nH]1 ZINC000638178799 370360076 /nfs/dbraw/zinc/36/00/76/370360076.db2.gz GXPPZXRGDBLDMK-GOEBONIOSA-N 2 1 287.407 2.236 20 0 CEADMP O=c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c[nH]1 ZINC000638178799 370360080 /nfs/dbraw/zinc/36/00/80/370360080.db2.gz GXPPZXRGDBLDMK-GOEBONIOSA-N 2 1 287.407 2.236 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@@H](C[NH+](C)CC)C1)OC ZINC000638133424 370326671 /nfs/dbraw/zinc/32/66/71/370326671.db2.gz JXFOZUVFIMPZPQ-KKUMJFAQSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@@H](C[N@H+](C)CC)C1)OC ZINC000638133424 370326674 /nfs/dbraw/zinc/32/66/74/370326674.db2.gz JXFOZUVFIMPZPQ-KKUMJFAQSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1)OC ZINC000638133424 370326679 /nfs/dbraw/zinc/32/66/79/370326679.db2.gz JXFOZUVFIMPZPQ-KKUMJFAQSA-N 2 1 256.434 2.321 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1OC ZINC000226434984 370342812 /nfs/dbraw/zinc/34/28/12/370342812.db2.gz QGWNTHWSROYSDH-AWEZNQCLSA-N 2 1 292.423 2.444 20 0 CEADMP COC[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@@H](COC)C2)C1 ZINC000354394955 370344937 /nfs/dbraw/zinc/34/49/37/370344937.db2.gz DLZPDWPAKXCCNF-IAGOWNOFSA-N 2 1 298.471 2.093 20 0 CEADMP C[C@@H]1C[C@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1C ZINC000354403139 370349532 /nfs/dbraw/zinc/34/95/32/370349532.db2.gz ZJBBDLOCBBVXIZ-KFWWJZLASA-N 2 1 297.487 2.199 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CCC[C@H]1CCO1 ZINC000638301704 370433313 /nfs/dbraw/zinc/43/33/13/370433313.db2.gz DLNUQYMFRDXWOB-CABCVRRESA-N 2 1 254.418 2.410 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000228353989 370401716 /nfs/dbraw/zinc/40/17/16/370401716.db2.gz MKYQNCLHJZXPTQ-SOUVJXGZSA-N 2 1 277.412 2.134 20 0 CEADMP COc1ccc(CC[NH2+]CC[NH2+]C(C)(C)C)cc1 ZINC000228726309 370412813 /nfs/dbraw/zinc/41/28/13/370412813.db2.gz HIXWEKSCDJYVBT-UHFFFAOYSA-N 2 1 250.386 2.215 20 0 CEADMP CC(C)OCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000228814895 370414981 /nfs/dbraw/zinc/41/49/81/370414981.db2.gz IDTRKNSRWIUOGU-HUUCEWRRSA-N 2 1 254.418 2.408 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000354645271 370449134 /nfs/dbraw/zinc/44/91/34/370449134.db2.gz INOWSZQPOYBOHV-AWEZNQCLSA-N 2 1 284.444 2.430 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(F)c1N ZINC000638336109 370453452 /nfs/dbraw/zinc/45/34/52/370453452.db2.gz YFNCESHTZQCUJG-LLVKDONJSA-N 2 1 276.359 2.339 20 0 CEADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000638420045 370517258 /nfs/dbraw/zinc/51/72/58/370517258.db2.gz KSCDINXVPZBQAT-UHFFFAOYSA-N 2 1 298.377 2.290 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)[C@@]12CCCO2 ZINC000354982976 370498753 /nfs/dbraw/zinc/49/87/53/370498753.db2.gz NATRLVWBJIAMES-VRXFMZDNSA-N 2 1 296.455 2.031 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)[C@@]12CCCO2 ZINC000354984706 370499801 /nfs/dbraw/zinc/49/98/01/370499801.db2.gz QELGPHXEJXBIPC-UUAJXVIYSA-N 2 1 296.455 2.033 20 0 CEADMP CC(C)C1(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000638564929 370606917 /nfs/dbraw/zinc/60/69/17/370606917.db2.gz ORXRLEIEGONOJE-UHFFFAOYSA-N 2 1 281.488 2.286 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+]CC[N@H+](C)C2CCCC2)ccn1 ZINC000638545506 370602722 /nfs/dbraw/zinc/60/27/22/370602722.db2.gz SSOCIFBCIWHBBZ-CQSZACIVSA-N 2 1 291.439 2.485 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)ccn1 ZINC000638545506 370602725 /nfs/dbraw/zinc/60/27/25/370602725.db2.gz SSOCIFBCIWHBBZ-CQSZACIVSA-N 2 1 291.439 2.485 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CS1 ZINC000638558657 370605055 /nfs/dbraw/zinc/60/50/55/370605055.db2.gz ZTSJFKCKGXSXSG-UONOGXRCSA-N 2 1 284.469 2.115 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CCc2[nH+]ccn2C1)Cc1ccccc1 ZINC000638495046 370571254 /nfs/dbraw/zinc/57/12/54/370571254.db2.gz DWBMQVGDWGYFQA-HOTGVXAUSA-N 2 1 285.391 2.045 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000356196056 370625985 /nfs/dbraw/zinc/62/59/85/370625985.db2.gz ABKVUHVEPHQOED-CYBMUJFWSA-N 2 1 271.449 2.001 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000236788788 370627312 /nfs/dbraw/zinc/62/73/12/370627312.db2.gz SHRUFBYBZZUOAK-KGLIPLIRSA-N 2 1 283.460 2.131 20 0 CEADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)[NH3+])c2C1 ZINC000236718036 370613522 /nfs/dbraw/zinc/61/35/22/370613522.db2.gz GTBNCUWJBZJEBX-GFCCVEGCSA-N 2 1 275.396 2.334 20 0 CEADMP c1cn(-c2ccccc2)nc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000236727163 370614836 /nfs/dbraw/zinc/61/48/36/370614836.db2.gz JWHORCAMFDBILL-HNNXBMFYSA-N 2 1 296.418 2.446 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H](OC)C1CCOCC1 ZINC000639175126 371049310 /nfs/dbraw/zinc/04/93/10/371049310.db2.gz IYBDBOUMQREIRW-INIZCTEOSA-N 2 1 286.460 2.092 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)SC)[C@H](C)C1 ZINC000358329876 371017699 /nfs/dbraw/zinc/01/76/99/371017699.db2.gz PSJZMPRJNNILNF-KFWWJZLASA-N 2 1 288.501 2.465 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1(C)C ZINC000247029516 371051146 /nfs/dbraw/zinc/05/11/46/371051146.db2.gz VKHDYUBBXVXZDU-VHDGCEQUSA-N 2 1 266.429 2.264 20 0 CEADMP Cn1cc(CCC[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000639175988 371051228 /nfs/dbraw/zinc/05/12/28/371051228.db2.gz CAOKHDYLPVZACP-KRWDZBQOSA-N 2 1 290.455 2.016 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000358344467 371025251 /nfs/dbraw/zinc/02/52/51/371025251.db2.gz JTCSHOZXLBDSDD-XJKCOSOUSA-N 2 1 286.423 2.424 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC000358354240 371031346 /nfs/dbraw/zinc/03/13/46/371031346.db2.gz PJFBXTXTLUWGLR-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000358354240 371031350 /nfs/dbraw/zinc/03/13/50/371031350.db2.gz PJFBXTXTLUWGLR-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000358354240 371031356 /nfs/dbraw/zinc/03/13/56/371031356.db2.gz PJFBXTXTLUWGLR-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000246924842 371031785 /nfs/dbraw/zinc/03/17/85/371031785.db2.gz GXGIXHGJNXLYKD-XFIYOXNOSA-N 2 1 268.445 2.367 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000246924842 371031789 /nfs/dbraw/zinc/03/17/89/371031789.db2.gz GXGIXHGJNXLYKD-XFIYOXNOSA-N 2 1 268.445 2.367 20 0 CEADMP CO[C@](C)(C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000639170299 371041915 /nfs/dbraw/zinc/04/19/15/371041915.db2.gz SEULEHZRUXKXLD-UKRRQHHQSA-N 2 1 254.418 2.121 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)[C@]12CCCO2 ZINC000639169744 371042795 /nfs/dbraw/zinc/04/27/95/371042795.db2.gz JJGJHUNXXCYQMP-YLFCFFPRSA-N 2 1 296.455 2.033 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000639170787 371043072 /nfs/dbraw/zinc/04/30/72/371043072.db2.gz YRMYTJNLGZNNNQ-JONQDZQNSA-N 2 1 278.440 2.264 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639189790 371070413 /nfs/dbraw/zinc/07/04/13/371070413.db2.gz QZAZMPPUYLKSMC-ILXRZTDVSA-N 2 1 283.460 2.144 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639189790 371070415 /nfs/dbraw/zinc/07/04/15/371070415.db2.gz QZAZMPPUYLKSMC-ILXRZTDVSA-N 2 1 283.460 2.144 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000358647569 371153630 /nfs/dbraw/zinc/15/36/30/371153630.db2.gz HRCHSUUOTWYFGL-BPLDGKMQSA-N 2 1 298.377 2.255 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000358647569 371153632 /nfs/dbraw/zinc/15/36/32/371153632.db2.gz HRCHSUUOTWYFGL-BPLDGKMQSA-N 2 1 298.377 2.255 20 0 CEADMP C[C@@H]1C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1C ZINC000247994988 371154241 /nfs/dbraw/zinc/15/42/41/371154241.db2.gz JVFLAKDWQCFOHH-RBSFLKMASA-N 2 1 269.477 2.425 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000358648254 371154882 /nfs/dbraw/zinc/15/48/82/371154882.db2.gz HRCHSUUOTWYFGL-YUELXQCFSA-N 2 1 298.377 2.255 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000358648254 371154888 /nfs/dbraw/zinc/15/48/88/371154888.db2.gz HRCHSUUOTWYFGL-YUELXQCFSA-N 2 1 298.377 2.255 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC[N@@H+]1C ZINC000639264384 371164701 /nfs/dbraw/zinc/16/47/01/371164701.db2.gz DLPZCHPGUNUREI-SDEQNOSCSA-N 2 1 292.467 2.246 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000639264384 371164703 /nfs/dbraw/zinc/16/47/03/371164703.db2.gz DLPZCHPGUNUREI-SDEQNOSCSA-N 2 1 292.467 2.246 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248215267 371169625 /nfs/dbraw/zinc/16/96/25/371169625.db2.gz ZNIBMUOUHPCDRS-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248215267 371169630 /nfs/dbraw/zinc/16/96/30/371169630.db2.gz ZNIBMUOUHPCDRS-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248215267 371169636 /nfs/dbraw/zinc/16/96/36/371169636.db2.gz ZNIBMUOUHPCDRS-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248215267 371169641 /nfs/dbraw/zinc/16/96/41/371169641.db2.gz ZNIBMUOUHPCDRS-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CO[C@H](C)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248431257 371194082 /nfs/dbraw/zinc/19/40/82/371194082.db2.gz QBFJXVMGWPXLIT-NVXWUHKLSA-N 2 1 276.424 2.475 20 0 CEADMP CO[C@H](C)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248431257 371194084 /nfs/dbraw/zinc/19/40/84/371194084.db2.gz QBFJXVMGWPXLIT-NVXWUHKLSA-N 2 1 276.424 2.475 20 0 CEADMP CO[C@H](C)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248431257 371194088 /nfs/dbraw/zinc/19/40/88/371194088.db2.gz QBFJXVMGWPXLIT-NVXWUHKLSA-N 2 1 276.424 2.475 20 0 CEADMP COCC1(C)CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000358738966 371198931 /nfs/dbraw/zinc/19/89/31/371198931.db2.gz AKMJJLPEJFPGDB-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248539390 371208388 /nfs/dbraw/zinc/20/83/88/371208388.db2.gz ARHMDJWVZVNECF-BZUAXINKSA-N 2 1 267.461 2.323 20 0 CEADMP C(CO[C@H]1CCCCO1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000358833678 371240944 /nfs/dbraw/zinc/24/09/44/371240944.db2.gz RTMDHGQEGMRYLK-IRXDYDNUSA-N 2 1 296.455 2.337 20 0 CEADMP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000359034484 371310728 /nfs/dbraw/zinc/31/07/28/371310728.db2.gz ZPDKXEOGMMMHCW-GBJTYRQASA-N 2 1 255.450 2.035 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000249384541 371318126 /nfs/dbraw/zinc/31/81/26/371318126.db2.gz YDLCBAIUHARORT-ZIAGYGMSSA-N 2 1 290.407 2.450 20 0 CEADMP Cc1cc(C)c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(C)n1 ZINC000639489723 371357836 /nfs/dbraw/zinc/35/78/36/371357836.db2.gz STWQXMHNNOLXTP-OAHLLOKOSA-N 2 1 261.413 2.390 20 0 CEADMP Cc1cc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(C)n1 ZINC000639489723 371357839 /nfs/dbraw/zinc/35/78/39/371357839.db2.gz STWQXMHNNOLXTP-OAHLLOKOSA-N 2 1 261.413 2.390 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000639497699 371362333 /nfs/dbraw/zinc/36/23/33/371362333.db2.gz NNHUCDSXFOBAIX-HRCADAONSA-N 2 1 266.429 2.219 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)CCC[NH2+]C)c2C1 ZINC000236788897 189844941 /nfs/dbraw/zinc/84/49/41/189844941.db2.gz MBHQESBLOCQJCI-UHFFFAOYSA-N 2 1 275.396 2.350 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)CCC[NH2+]C)c2C1 ZINC000236788897 189844942 /nfs/dbraw/zinc/84/49/42/189844942.db2.gz MBHQESBLOCQJCI-UHFFFAOYSA-N 2 1 275.396 2.350 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000639506949 371369021 /nfs/dbraw/zinc/36/90/21/371369021.db2.gz DVZIQWDPPLWABF-NUEKZKHPSA-N 2 1 266.429 2.075 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000639506949 371369026 /nfs/dbraw/zinc/36/90/26/371369026.db2.gz DVZIQWDPPLWABF-NUEKZKHPSA-N 2 1 266.429 2.075 20 0 CEADMP CC[N@H+](Cc1ccc(C(=O)NCc2cnc[nH]2)cc1)C1CC1 ZINC000359124653 371346382 /nfs/dbraw/zinc/34/63/82/371346382.db2.gz SZJMOGWXUCNXAR-UHFFFAOYSA-N 2 1 298.390 2.324 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)NCc2cnc[nH]2)cc1)C1CC1 ZINC000359124653 371346386 /nfs/dbraw/zinc/34/63/86/371346386.db2.gz SZJMOGWXUCNXAR-UHFFFAOYSA-N 2 1 298.390 2.324 20 0 CEADMP C[C@H]1CCC[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639502956 371367721 /nfs/dbraw/zinc/36/77/21/371367721.db2.gz HXNQCPVSNMNMIX-RDJZCZTQSA-N 2 1 274.408 2.108 20 0 CEADMP C[C@H]1CCC[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639502956 371367725 /nfs/dbraw/zinc/36/77/25/371367725.db2.gz HXNQCPVSNMNMIX-RDJZCZTQSA-N 2 1 274.408 2.108 20 0 CEADMP C[C@H]1CCC[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639502956 371367729 /nfs/dbraw/zinc/36/77/29/371367729.db2.gz HXNQCPVSNMNMIX-RDJZCZTQSA-N 2 1 274.408 2.108 20 0 CEADMP C[C@H]1CCC[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639502956 371367731 /nfs/dbraw/zinc/36/77/31/371367731.db2.gz HXNQCPVSNMNMIX-RDJZCZTQSA-N 2 1 274.408 2.108 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000359243823 371392432 /nfs/dbraw/zinc/39/24/32/371392432.db2.gz OGFMNLPHLUIUFV-GJZGRUSLSA-N 2 1 297.487 2.201 20 0 CEADMP Cc1ncsc1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000250962220 371395549 /nfs/dbraw/zinc/39/55/49/371395549.db2.gz SOYYXPCMKVINKU-CKYFFXLPSA-N 2 1 253.415 2.270 20 0 CEADMP Cc1ncsc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000250962220 371395557 /nfs/dbraw/zinc/39/55/57/371395557.db2.gz SOYYXPCMKVINKU-CKYFFXLPSA-N 2 1 253.415 2.270 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000359306397 371420319 /nfs/dbraw/zinc/42/03/19/371420319.db2.gz MAVDFIYYNVPHQD-OAGGEKHMSA-N 2 1 295.471 2.240 20 0 CEADMP CC1(C)CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000251151950 371397492 /nfs/dbraw/zinc/39/74/92/371397492.db2.gz LMNBHWMLKYPZOU-MELADBBJSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000251151950 371397494 /nfs/dbraw/zinc/39/74/94/371397494.db2.gz LMNBHWMLKYPZOU-MELADBBJSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC[N@@H+]1C ZINC000251740175 371414860 /nfs/dbraw/zinc/41/48/60/371414860.db2.gz CTAGHJMKELVVFL-RYPNDVFKSA-N 2 1 266.429 2.262 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC[N@H+]1C ZINC000251740175 371414863 /nfs/dbraw/zinc/41/48/63/371414863.db2.gz CTAGHJMKELVVFL-RYPNDVFKSA-N 2 1 266.429 2.262 20 0 CEADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000251786746 371416464 /nfs/dbraw/zinc/41/64/64/371416464.db2.gz NFKWZJDQBVMCPS-WCQYABFASA-N 2 1 295.814 2.338 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639505718 371369570 /nfs/dbraw/zinc/36/95/70/371369570.db2.gz SLHFBZADXXJVEL-GJZGRUSLSA-N 2 1 268.445 2.465 20 0 CEADMP CCN(C(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1)C1CCCCC1 ZINC000249920522 371370275 /nfs/dbraw/zinc/37/02/75/371370275.db2.gz KYBPDUWLMQZCRG-GJZGRUSLSA-N 2 1 295.471 2.227 20 0 CEADMP CCN(C(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)C1CCCCC1 ZINC000249920522 371370278 /nfs/dbraw/zinc/37/02/78/371370278.db2.gz KYBPDUWLMQZCRG-GJZGRUSLSA-N 2 1 295.471 2.227 20 0 CEADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(OC)c1 ZINC000252840969 371482958 /nfs/dbraw/zinc/48/29/58/371482958.db2.gz BVEACBZUTNMWKH-JQFCIGGWSA-N 2 1 290.407 2.263 20 0 CEADMP CO[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@H]1C ZINC000252018571 371430549 /nfs/dbraw/zinc/43/05/49/371430549.db2.gz YLXXFGLLRYOLPO-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000252520235 371453563 /nfs/dbraw/zinc/45/35/63/371453563.db2.gz JTGIQBYYYNRTRX-NJAFHUGGSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000252520235 371453566 /nfs/dbraw/zinc/45/35/66/371453566.db2.gz JTGIQBYYYNRTRX-NJAFHUGGSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000252520235 371453569 /nfs/dbraw/zinc/45/35/69/371453569.db2.gz JTGIQBYYYNRTRX-NJAFHUGGSA-N 2 1 287.451 2.333 20 0 CEADMP COc1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC)c1 ZINC000252672923 371467162 /nfs/dbraw/zinc/46/71/62/371467162.db2.gz FCCFKAZIUHHZER-GJZGRUSLSA-N 2 1 290.407 2.420 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1 ZINC000252672923 371467167 /nfs/dbraw/zinc/46/71/67/371467167.db2.gz FCCFKAZIUHHZER-GJZGRUSLSA-N 2 1 290.407 2.420 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC)c1 ZINC000252672923 371467172 /nfs/dbraw/zinc/46/71/72/371467172.db2.gz FCCFKAZIUHHZER-GJZGRUSLSA-N 2 1 290.407 2.420 20 0 CEADMP C[C@H](C[C@@H]1CCCO1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000359673400 371478093 /nfs/dbraw/zinc/47/80/93/371478093.db2.gz ITAVOTNFODGMTF-DOMZBBRYSA-N 2 1 252.402 2.160 20 0 CEADMP Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000252840428 371480963 /nfs/dbraw/zinc/48/09/63/371480963.db2.gz BOVPSFNCBZFVNQ-DRZSPHRISA-N 2 1 251.399 2.011 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccc(CO)o2)C[C@H]1n1ccnc1 ZINC000252802208 371481362 /nfs/dbraw/zinc/48/13/62/371481362.db2.gz HQMVKJXWFDWFEU-IUODEOHRSA-N 2 1 275.352 2.052 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000360588776 371520227 /nfs/dbraw/zinc/52/02/27/371520227.db2.gz MANPOHXWXAVOJA-SMLCLMEVSA-N 2 1 281.488 2.283 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)C3CCCCC3)C2)CC1 ZINC000639754481 371544211 /nfs/dbraw/zinc/54/42/11/371544211.db2.gz APNWDEBTCREHON-MRXNPFEDSA-N 2 1 280.456 2.345 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757106 371546878 /nfs/dbraw/zinc/54/68/78/371546878.db2.gz FSPBNXBRXNUOGY-UHFFFAOYSA-N 2 1 290.455 2.389 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757106 371546881 /nfs/dbraw/zinc/54/68/81/371546881.db2.gz FSPBNXBRXNUOGY-UHFFFAOYSA-N 3 1 290.455 2.389 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757106 371546884 /nfs/dbraw/zinc/54/68/84/371546884.db2.gz FSPBNXBRXNUOGY-UHFFFAOYSA-N 3 1 290.455 2.389 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCN3CCc4ccccc43)C2)CC1 ZINC000639755861 371547149 /nfs/dbraw/zinc/54/71/49/371547149.db2.gz PLDGGAABRUTARF-UHFFFAOYSA-N 2 1 299.462 2.467 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000639766723 371555316 /nfs/dbraw/zinc/55/53/16/371555316.db2.gz ONYVPRLZOCDXEB-HJLMUGLJSA-N 2 1 288.435 2.478 20 0 CEADMP COCCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683316 371493165 /nfs/dbraw/zinc/49/31/65/371493165.db2.gz WYTGRMDZOCKPNN-UHFFFAOYSA-N 2 1 263.385 2.020 20 0 CEADMP FC1(F)C[C@H]1OCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684090 371493737 /nfs/dbraw/zinc/49/37/37/371493737.db2.gz QNZKMWXIINOSLR-CQSZACIVSA-N 2 1 297.349 2.018 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000359926788 371494699 /nfs/dbraw/zinc/49/46/99/371494699.db2.gz SLMXIJNZHVRWST-YYIAUSFCSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000359926788 371494703 /nfs/dbraw/zinc/49/47/03/371494703.db2.gz SLMXIJNZHVRWST-YYIAUSFCSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000359926788 371494705 /nfs/dbraw/zinc/49/47/05/371494705.db2.gz SLMXIJNZHVRWST-YYIAUSFCSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000359926788 371494709 /nfs/dbraw/zinc/49/47/09/371494709.db2.gz SLMXIJNZHVRWST-YYIAUSFCSA-N 3 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000359926788 371494713 /nfs/dbraw/zinc/49/47/13/371494713.db2.gz SLMXIJNZHVRWST-YYIAUSFCSA-N 3 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000359926788 371494716 /nfs/dbraw/zinc/49/47/16/371494716.db2.gz SLMXIJNZHVRWST-YYIAUSFCSA-N 3 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000359926788 371494719 /nfs/dbraw/zinc/49/47/19/371494719.db2.gz SLMXIJNZHVRWST-YYIAUSFCSA-N 3 1 281.488 2.284 20 0 CEADMP Cc1nc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cs1 ZINC000361003200 371592265 /nfs/dbraw/zinc/59/22/65/371592265.db2.gz NPSMGOFRCMXVCW-GXTWGEPZSA-N 2 1 297.468 2.339 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCCC2 ZINC000361011810 371598649 /nfs/dbraw/zinc/59/86/49/371598649.db2.gz VTCRMLRYYKYHHU-UONOGXRCSA-N 2 1 288.439 2.015 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCCC2 ZINC000361011810 371598651 /nfs/dbraw/zinc/59/86/51/371598651.db2.gz VTCRMLRYYKYHHU-UONOGXRCSA-N 2 1 288.439 2.015 20 0 CEADMP Clc1cccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261601498 371673693 /nfs/dbraw/zinc/67/36/93/371673693.db2.gz QCBCHELRQQWSRM-SWLSCSKDSA-N 2 1 280.799 2.403 20 0 CEADMP Clc1cccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261601498 371673698 /nfs/dbraw/zinc/67/36/98/371673698.db2.gz QCBCHELRQQWSRM-SWLSCSKDSA-N 2 1 280.799 2.403 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261585402 371661937 /nfs/dbraw/zinc/66/19/37/371661937.db2.gz IKLZOJSQXXBIMX-GDBMZVCRSA-N 2 1 260.381 2.269 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261585402 371661942 /nfs/dbraw/zinc/66/19/42/371661942.db2.gz IKLZOJSQXXBIMX-GDBMZVCRSA-N 2 1 260.381 2.269 20 0 CEADMP COCC[N@@H+](CCc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261733221 371713961 /nfs/dbraw/zinc/71/39/61/371713961.db2.gz HNPNOZXZITWQDP-QGZVFWFLSA-N 2 1 276.424 2.177 20 0 CEADMP O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261747468 371717872 /nfs/dbraw/zinc/71/78/72/371717872.db2.gz BXEOYATUJUTVIK-BZUAXINKSA-N 2 1 266.429 2.002 20 0 CEADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000361219214 371721857 /nfs/dbraw/zinc/72/18/57/371721857.db2.gz BSVGUSPXXAUPHW-RRFJBIMHSA-N 2 1 256.434 2.103 20 0 CEADMP COCC1(CNc2[nH+]c3ccccc3n2C)CC[NH2+]CC1 ZINC000261780999 371730679 /nfs/dbraw/zinc/73/06/79/371730679.db2.gz WYTWBOZPBGNYNO-UHFFFAOYSA-N 2 1 288.395 2.001 20 0 CEADMP COc1cccc([C@H](C)[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261647579 371690273 /nfs/dbraw/zinc/69/02/73/371690273.db2.gz XSJOOPPIZYDWLC-JGGQBBKZSA-N 2 1 260.381 2.440 20 0 CEADMP COc1cccc([C@H](C)[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261647579 371690285 /nfs/dbraw/zinc/69/02/85/371690285.db2.gz XSJOOPPIZYDWLC-JGGQBBKZSA-N 2 1 260.381 2.440 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)c(OC)c1 ZINC000261669565 371697514 /nfs/dbraw/zinc/69/75/14/371697514.db2.gz FUWXIPDCINCZAE-XUJVJEKNSA-N 2 1 278.396 2.352 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261829468 371744243 /nfs/dbraw/zinc/74/42/43/371744243.db2.gz IXNUNVRPDRYLOW-OCCSQVGLSA-N 2 1 262.397 2.427 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261829466 371744349 /nfs/dbraw/zinc/74/43/49/371744349.db2.gz IXNUNVRPDRYLOW-JSGCOSHPSA-N 2 1 262.397 2.427 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261989836 371792156 /nfs/dbraw/zinc/79/21/56/371792156.db2.gz SEYMRFDADMETDG-HUUCEWRRSA-N 2 1 284.407 2.350 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261989836 371792163 /nfs/dbraw/zinc/79/21/63/371792163.db2.gz SEYMRFDADMETDG-HUUCEWRRSA-N 2 1 284.407 2.350 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000261890740 371762513 /nfs/dbraw/zinc/76/25/13/371762513.db2.gz WKTVDFHVFQBGMM-CVEARBPZSA-N 2 1 295.471 2.004 20 0 CEADMP CN(CC[N@@H+](C)C[C@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000261889475 371762761 /nfs/dbraw/zinc/76/27/61/371762761.db2.gz SPTHGKCGTUALJI-MRXNPFEDSA-N 2 1 261.413 2.054 20 0 CEADMP C[C@]1(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)CC[NH2+]C1 ZINC000261894740 371765722 /nfs/dbraw/zinc/76/57/22/371765722.db2.gz UQWQDEFGRIOHDR-IHRRRGAJSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261900378 371767488 /nfs/dbraw/zinc/76/74/88/371767488.db2.gz VWXJCEGRFPIYLP-BBRMVZONSA-N 2 1 262.397 2.255 20 0 CEADMP CSCCC[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000337354754 214024444 /nfs/dbraw/zinc/02/44/44/214024444.db2.gz ADZIYHXFXGTWIF-UHFFFAOYSA-N 2 1 287.517 2.087 20 0 CEADMP CCOc1ccc2c(c1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000261959838 371786106 /nfs/dbraw/zinc/78/61/06/371786106.db2.gz PEAOVBUKQGBRNO-UHFFFAOYSA-N 2 1 274.408 2.443 20 0 CEADMP CC(C)[NH+](CCC[N@H+](C(C)C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361408724 371832503 /nfs/dbraw/zinc/83/25/03/371832503.db2.gz QBYCBPODVHMBPP-CALCHBBNSA-N 2 1 298.471 2.375 20 0 CEADMP CC(C)[NH+](CCC[N@H+](C(C)C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361408724 371832507 /nfs/dbraw/zinc/83/25/07/371832507.db2.gz QBYCBPODVHMBPP-CALCHBBNSA-N 2 1 298.471 2.375 20 0 CEADMP CC(C)[NH+](CCC[N@@H+](C(C)C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361408724 371832519 /nfs/dbraw/zinc/83/25/19/371832519.db2.gz QBYCBPODVHMBPP-CALCHBBNSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@]1(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)CC[NH2+]C1 ZINC000262004054 371796980 /nfs/dbraw/zinc/79/69/80/371796980.db2.gz LPUYURXCLXWMOL-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccnn1-c1ccccc1 ZINC000262011080 371799181 /nfs/dbraw/zinc/79/91/81/371799181.db2.gz VCURIQPPTBRPQW-UONOGXRCSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccnn1-c1ccccc1 ZINC000262011080 371799184 /nfs/dbraw/zinc/79/91/84/371799184.db2.gz VCURIQPPTBRPQW-UONOGXRCSA-N 2 1 270.380 2.041 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000262046265 371810195 /nfs/dbraw/zinc/81/01/95/371810195.db2.gz UNSWVSSKHKCLNQ-UHFFFAOYSA-N 2 1 295.471 2.228 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C2CCC2)CC1 ZINC000640106514 371817333 /nfs/dbraw/zinc/81/73/33/371817333.db2.gz IBCREZCRCLTKTE-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC000640106514 371817352 /nfs/dbraw/zinc/81/73/52/371817352.db2.gz IBCREZCRCLTKTE-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000640106514 371817359 /nfs/dbraw/zinc/81/73/59/371817359.db2.gz IBCREZCRCLTKTE-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP Cc1ncsc1CC[N@H+]1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000262079798 371819607 /nfs/dbraw/zinc/81/96/07/371819607.db2.gz XOGQPNLLAGACRS-LSDHHAIUSA-N 2 1 287.432 2.421 20 0 CEADMP Cc1ncsc1CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000262079798 371819609 /nfs/dbraw/zinc/81/96/09/371819609.db2.gz XOGQPNLLAGACRS-LSDHHAIUSA-N 2 1 287.432 2.421 20 0 CEADMP c1cc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000262092254 371821467 /nfs/dbraw/zinc/82/14/67/371821467.db2.gz UXHSLXNYCRSWBI-OAHLLOKOSA-N 2 1 288.420 2.324 20 0 CEADMP c1cc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000262092254 371821470 /nfs/dbraw/zinc/82/14/70/371821470.db2.gz UXHSLXNYCRSWBI-OAHLLOKOSA-N 2 1 288.420 2.324 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@]2(C)CC[NH2+]C2)C1(C)C ZINC000262104888 371823747 /nfs/dbraw/zinc/82/37/47/371823747.db2.gz VWHPHMALTZIYMD-UMVBOHGHSA-N 2 1 254.418 2.121 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000262105697 371824059 /nfs/dbraw/zinc/82/40/59/371824059.db2.gz FJRJWHRCULQDIX-GDBMZVCRSA-N 2 1 283.460 2.132 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000262105702 371825504 /nfs/dbraw/zinc/82/55/04/371825504.db2.gz FJRJWHRCULQDIX-HOCLYGCPSA-N 2 1 283.460 2.132 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CC2(OC)CCCC2)CC1 ZINC000361501219 371883493 /nfs/dbraw/zinc/88/34/93/371883493.db2.gz OAWJBSGHDGJFQL-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CC2(OC)CCCC2)CC1 ZINC000361501219 371883497 /nfs/dbraw/zinc/88/34/97/371883497.db2.gz OAWJBSGHDGJFQL-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP COc1c[nH+]ccc1N1CC[NH+](CCOC(C)(C)C)CC1 ZINC000361521016 371895057 /nfs/dbraw/zinc/89/50/57/371895057.db2.gz XIEUVMGPJJYEPN-UHFFFAOYSA-N 2 1 293.411 2.027 20 0 CEADMP COc1c[nH+]ccc1N1CC[NH+](CCCOC(C)C)CC1 ZINC000361523129 371897712 /nfs/dbraw/zinc/89/77/12/371897712.db2.gz COQXPHWCGXJEBG-UHFFFAOYSA-N 2 1 293.411 2.027 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000361585543 371950310 /nfs/dbraw/zinc/95/03/10/371950310.db2.gz PWFLSAVENGXKPA-RHSMWYFYSA-N 2 1 274.408 2.012 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000361585543 371950318 /nfs/dbraw/zinc/95/03/18/371950318.db2.gz PWFLSAVENGXKPA-RHSMWYFYSA-N 2 1 274.408 2.012 20 0 CEADMP CC[C@@H](C)NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531449 372022456 /nfs/dbraw/zinc/02/24/56/372022456.db2.gz JIZYWNDLYSVBNV-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](O)C(F)(F)F ZINC000640533422 372024033 /nfs/dbraw/zinc/02/40/33/372024033.db2.gz QSJDAYSAWGGVBK-LBPRGKRZSA-N 2 1 282.350 2.108 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+]([C@@H]1CCCC[C@@H]1O)CC2)C1CC1 ZINC000362104340 372224107 /nfs/dbraw/zinc/22/41/07/372224107.db2.gz CUDONGPVAIPXAE-UAGQMJEPSA-N 2 1 292.467 2.486 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCO)CC[N@@H+]1Cc1ccccc1 ZINC000268699121 372185625 /nfs/dbraw/zinc/18/56/25/372185625.db2.gz DQGNYCANQDLPRR-GDBMZVCRSA-N 2 1 262.397 2.012 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCO)CC[N@H+]1Cc1ccccc1 ZINC000268699121 372185626 /nfs/dbraw/zinc/18/56/26/372185626.db2.gz DQGNYCANQDLPRR-GDBMZVCRSA-N 2 1 262.397 2.012 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1ccnc1 ZINC000268733270 372201055 /nfs/dbraw/zinc/20/10/55/372201055.db2.gz OZYGOZPXAJXULX-WMZOPIPTSA-N 2 1 298.434 2.383 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1ccnc1 ZINC000268733270 372201058 /nfs/dbraw/zinc/20/10/58/372201058.db2.gz OZYGOZPXAJXULX-WMZOPIPTSA-N 2 1 298.434 2.383 20 0 CEADMP COCC[N@H+](CCn1cc[nH+]c1C)[C@H]1CC[C@H](C)C1 ZINC000362149177 372244371 /nfs/dbraw/zinc/24/43/71/372244371.db2.gz LBXVFKUBCRMJDF-ZFWWWQNUSA-N 2 1 265.401 2.329 20 0 CEADMP COCC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CC[C@H](C)C1 ZINC000362149177 372244381 /nfs/dbraw/zinc/24/43/81/372244381.db2.gz LBXVFKUBCRMJDF-ZFWWWQNUSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)CO)cc1 ZINC000268836375 372248358 /nfs/dbraw/zinc/24/83/58/372248358.db2.gz LWZGVHRKEATFMZ-CHWSQXEVSA-N 2 1 273.380 2.460 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCn2cncn2)cc1 ZINC000268862595 372260083 /nfs/dbraw/zinc/26/00/83/372260083.db2.gz VTKSXXFFTVGLIN-CYBMUJFWSA-N 2 1 296.378 2.123 20 0 CEADMP C[NH+](C)C[C@](C)(O)CNc1cc(C(C)(C)C)cc[nH+]1 ZINC000641459016 372511225 /nfs/dbraw/zinc/51/12/25/372511225.db2.gz PAUMQSMSTQOFJF-OAHLLOKOSA-N 2 1 265.401 2.104 20 0 CEADMP CSc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)o1 ZINC000641720700 372657147 /nfs/dbraw/zinc/65/71/47/372657147.db2.gz OIHCUBJVKDCHNV-ZDUSSCGKSA-N 2 1 298.452 2.328 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC([NH2+]C(C)C)CC2)c1 ZINC000270199562 372699219 /nfs/dbraw/zinc/69/92/19/372699219.db2.gz BZYJPQFYAPMACP-UHFFFAOYSA-N 2 1 277.412 2.361 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000641774792 372720128 /nfs/dbraw/zinc/72/01/28/372720128.db2.gz HTYFPUNVQQFXDR-CVEARBPZSA-N 2 1 262.397 2.040 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)o1 ZINC000641800016 372742328 /nfs/dbraw/zinc/74/23/28/372742328.db2.gz VTRCLEDFOCELAO-STQMWFEESA-N 2 1 265.401 2.495 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)o1 ZINC000641800016 372742331 /nfs/dbraw/zinc/74/23/31/372742331.db2.gz VTRCLEDFOCELAO-STQMWFEESA-N 2 1 265.401 2.495 20 0 CEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cccnc1C(F)(F)F ZINC000641800866 372743688 /nfs/dbraw/zinc/74/36/88/372743688.db2.gz HNFCYTKOJXSUNP-UWVGGRQHSA-N 2 1 273.302 2.316 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802066 372746156 /nfs/dbraw/zinc/74/61/56/372746156.db2.gz HKHJMODQXLHTBW-GLQYFDAESA-N 2 1 289.423 2.291 20 0 CEADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641803050 372747799 /nfs/dbraw/zinc/74/77/99/372747799.db2.gz CODLJIPLAWIUAD-LEWSCRJBSA-N 2 1 293.386 2.177 20 0 CEADMP CC(C)c1cccc(NC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641810012 372758632 /nfs/dbraw/zinc/75/86/32/372758632.db2.gz ZLZCYPFSIPJJLS-HUUCEWRRSA-N 2 1 289.423 2.464 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000641797048 372735111 /nfs/dbraw/zinc/73/51/11/372735111.db2.gz QYEBZWSNODPQJH-AAEUAGOBSA-N 2 1 265.401 2.495 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000641797048 372735121 /nfs/dbraw/zinc/73/51/21/372735121.db2.gz QYEBZWSNODPQJH-AAEUAGOBSA-N 2 1 265.401 2.495 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2cccnc2)CC[N@H+]1C ZINC000344640257 217259537 /nfs/dbraw/zinc/25/95/37/217259537.db2.gz ZEIIGLXJNRHMNX-CZUORRHYSA-N 2 1 299.422 2.054 20 0 CEADMP Cc1ncsc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353512464 220126730 /nfs/dbraw/zinc/12/67/30/220126730.db2.gz CUAAZLNRSLWKHP-JHJVBQTASA-N 2 1 265.426 2.414 20 0 CEADMP CN(C)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000366409270 373039867 /nfs/dbraw/zinc/03/98/67/373039867.db2.gz BZHOOTDJYWKHSR-ZXFUBFMLSA-N 2 1 273.424 2.467 20 0 CEADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000353526436 220138270 /nfs/dbraw/zinc/13/82/70/220138270.db2.gz AOVWOLHXLHDXAS-ARFHVFGLSA-N 2 1 289.423 2.095 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000353537753 220143358 /nfs/dbraw/zinc/14/33/58/220143358.db2.gz QYBVMFMCMUJDMJ-CQSZACIVSA-N 2 1 264.417 2.126 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(CCCC(=O)OC(C)(C)C)C2)C1 ZINC000366484997 373065583 /nfs/dbraw/zinc/06/55/83/373065583.db2.gz UXHHBZOBZTWQIN-INIZCTEOSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](CCCC(=O)OC(C)(C)C)C2)C1 ZINC000366484997 373065591 /nfs/dbraw/zinc/06/55/91/373065591.db2.gz UXHHBZOBZTWQIN-INIZCTEOSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CCCC(=O)OC(C)(C)C)C2)C1 ZINC000366484997 373065601 /nfs/dbraw/zinc/06/56/01/373065601.db2.gz UXHHBZOBZTWQIN-INIZCTEOSA-N 2 1 282.428 2.136 20 0 CEADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000366414633 373040608 /nfs/dbraw/zinc/04/06/08/373040608.db2.gz OOWHMMOGJFIGOP-RDJZCZTQSA-N 2 1 299.418 2.145 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000367526932 373160190 /nfs/dbraw/zinc/16/01/90/373160190.db2.gz KUHAMNHIOGGYHE-OWSLCNJRSA-N 2 1 288.435 2.052 20 0 CEADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC000643502380 373162685 /nfs/dbraw/zinc/16/26/85/373162685.db2.gz FACNESKRSRWNBY-RBSFLKMASA-N 2 1 276.428 2.178 20 0 CEADMP C([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)[C@H]1CCCC[NH2+]1 ZINC000643502730 373162719 /nfs/dbraw/zinc/16/27/19/373162719.db2.gz OSRUNIAFBQGKQF-KLHDSHLOSA-N 2 1 266.429 2.313 20 0 CEADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[NH2+]C1CC1 ZINC000643507150 373166891 /nfs/dbraw/zinc/16/68/91/373166891.db2.gz URUMTBZJIASVOZ-CQSZACIVSA-N 2 1 292.423 2.367 20 0 CEADMP C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000643457645 373127075 /nfs/dbraw/zinc/12/70/75/373127075.db2.gz SKSFMALSINGNHC-WBVHZDCISA-N 2 1 287.451 2.096 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000643457645 373127085 /nfs/dbraw/zinc/12/70/85/373127085.db2.gz SKSFMALSINGNHC-WBVHZDCISA-N 3 1 287.451 2.096 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000643457645 373127095 /nfs/dbraw/zinc/12/70/95/373127095.db2.gz SKSFMALSINGNHC-WBVHZDCISA-N 3 1 287.451 2.096 20 0 CEADMP [NH3+][C@@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000643462877 373131254 /nfs/dbraw/zinc/13/12/54/373131254.db2.gz QOFWSLYSJFZIFJ-XKQJLSEDSA-N 2 1 271.408 2.205 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000643466576 373134776 /nfs/dbraw/zinc/13/47/76/373134776.db2.gz CNZSBBBRVDCLHI-MCIONIFRSA-N 2 1 254.418 2.169 20 0 CEADMP COc1ccnc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000271355675 373189024 /nfs/dbraw/zinc/18/90/24/373189024.db2.gz ZHILOQYCLFWPAT-CZUORRHYSA-N 2 1 286.379 2.370 20 0 CEADMP COc1ccnc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000271355675 373189034 /nfs/dbraw/zinc/18/90/34/373189034.db2.gz ZHILOQYCLFWPAT-CZUORRHYSA-N 2 1 286.379 2.370 20 0 CEADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368611462 373250213 /nfs/dbraw/zinc/25/02/13/373250213.db2.gz DFHGFLVDBNNRLM-BPLDGKMQSA-N 2 1 263.385 2.254 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@](C)([NH3+])CCC ZINC000353601188 220182942 /nfs/dbraw/zinc/18/29/42/220182942.db2.gz ZSRLQRWANBHNKB-ZBFHGGJFSA-N 2 1 283.460 2.275 20 0 CEADMP C[C@H]1CN(CC[C@H]2CCCC[N@H+]2C)CC2(CCOCC2)O1 ZINC000369376323 373401456 /nfs/dbraw/zinc/40/14/56/373401456.db2.gz UNSLQWQOBVUJIH-JKSUJKDBSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CC2(CCOCC2)O1 ZINC000369376323 373401468 /nfs/dbraw/zinc/40/14/68/373401468.db2.gz UNSLQWQOBVUJIH-JKSUJKDBSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC2(CCOCC2)O1 ZINC000369376323 373401477 /nfs/dbraw/zinc/40/14/77/373401477.db2.gz UNSLQWQOBVUJIH-JKSUJKDBSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CC2(CCOCC2)O1 ZINC000369376323 373401488 /nfs/dbraw/zinc/40/14/88/373401488.db2.gz UNSLQWQOBVUJIH-JKSUJKDBSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CC2(CCOCC2)O1 ZINC000369376323 373401497 /nfs/dbraw/zinc/40/14/97/373401497.db2.gz UNSLQWQOBVUJIH-JKSUJKDBSA-N 2 1 296.455 2.131 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(c3cc[nH+]c4c(O)cccc34)C2)C1 ZINC000644151707 373436258 /nfs/dbraw/zinc/43/62/58/373436258.db2.gz ZVFCOGXRCORJCG-KRWDZBQOSA-N 2 1 283.375 2.472 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CC=CCC1 ZINC000644529994 373512768 /nfs/dbraw/zinc/51/27/68/373512768.db2.gz WMKBOYWEUYDKHF-WMZOPIPTSA-N 2 1 288.435 2.425 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CC=CCC1 ZINC000644529994 373512773 /nfs/dbraw/zinc/51/27/73/373512773.db2.gz WMKBOYWEUYDKHF-WMZOPIPTSA-N 2 1 288.435 2.425 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000644531483 373514740 /nfs/dbraw/zinc/51/47/40/373514740.db2.gz ZDKOQBQJUVNCGP-VXGBXAGGSA-N 2 1 282.350 2.010 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1(C(=O)OC)CCC1 ZINC000369836537 373519576 /nfs/dbraw/zinc/51/95/76/373519576.db2.gz VMQYUHVYPGKVTF-KKUMJFAQSA-N 2 1 294.439 2.325 20 0 CEADMP C[C@H](CO)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272441379 373486824 /nfs/dbraw/zinc/48/68/24/373486824.db2.gz IORIPCUIQZJEIC-YQQAZPJKSA-N 2 1 276.424 2.115 20 0 CEADMP CC1CCC(O)(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000644632317 373571768 /nfs/dbraw/zinc/57/17/68/373571768.db2.gz ZSQFAPSNSNTVAC-AQFXKWCLSA-N 2 1 298.471 2.018 20 0 CEADMP CCc1cc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)nc(C)n1 ZINC000272924475 373715222 /nfs/dbraw/zinc/71/52/22/373715222.db2.gz ULRIFYROSJLFPK-RISCZKNCSA-N 2 1 262.401 2.124 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000370504778 373672333 /nfs/dbraw/zinc/67/23/33/373672333.db2.gz LYZCTTQEQZXBFM-GJZGRUSLSA-N 2 1 276.428 2.464 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000370504778 373672343 /nfs/dbraw/zinc/67/23/43/373672343.db2.gz LYZCTTQEQZXBFM-GJZGRUSLSA-N 2 1 276.428 2.464 20 0 CEADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000353667147 220239375 /nfs/dbraw/zinc/23/93/75/220239375.db2.gz FZTVQTCYGUBJIG-JKSUJKDBSA-N 2 1 289.423 2.067 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000353667147 220239379 /nfs/dbraw/zinc/23/93/79/220239379.db2.gz FZTVQTCYGUBJIG-JKSUJKDBSA-N 2 1 289.423 2.067 20 0 CEADMP c1cn(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000371199713 373810632 /nfs/dbraw/zinc/81/06/32/373810632.db2.gz WECPDOFDIDWTQE-INIZCTEOSA-N 3 1 276.428 2.081 20 0 CEADMP c1cn(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000371199713 373810642 /nfs/dbraw/zinc/81/06/42/373810642.db2.gz WECPDOFDIDWTQE-INIZCTEOSA-N 3 1 276.428 2.081 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccs1 ZINC000371470667 373893529 /nfs/dbraw/zinc/89/35/29/373893529.db2.gz NKMSODYNNIEYAW-SNPRPXQTSA-N 2 1 280.437 2.432 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000371749277 373967542 /nfs/dbraw/zinc/96/75/42/373967542.db2.gz YOYASQYBJRGPLI-HUUCEWRRSA-N 2 1 263.385 2.129 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000372424242 374125710 /nfs/dbraw/zinc/12/57/10/374125710.db2.gz CJWKNHZJIVKUQC-XYPWUTKMSA-N 2 1 277.412 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000372424242 374125716 /nfs/dbraw/zinc/12/57/16/374125716.db2.gz CJWKNHZJIVKUQC-XYPWUTKMSA-N 2 1 277.412 2.065 20 0 CEADMP COC(=O)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000275051545 374139525 /nfs/dbraw/zinc/13/95/25/374139525.db2.gz SZNWNWMKPMUHHR-XJKSGUPXSA-N 2 1 290.407 2.245 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000275051545 374139533 /nfs/dbraw/zinc/13/95/33/374139533.db2.gz SZNWNWMKPMUHHR-XJKSGUPXSA-N 2 1 290.407 2.245 20 0 CEADMP COC(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000275051545 374139538 /nfs/dbraw/zinc/13/95/38/374139538.db2.gz SZNWNWMKPMUHHR-XJKSGUPXSA-N 2 1 290.407 2.245 20 0 CEADMP COC(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000275051545 374139546 /nfs/dbraw/zinc/13/95/46/374139546.db2.gz SZNWNWMKPMUHHR-XJKSGUPXSA-N 2 1 290.407 2.245 20 0 CEADMP COC(=O)c1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)oc1C ZINC000275120723 374160162 /nfs/dbraw/zinc/16/01/62/374160162.db2.gz VGLOCVPIBQKBIU-XHDPSFHLSA-N 2 1 294.395 2.147 20 0 CEADMP COC(=O)c1coc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000373028287 374247642 /nfs/dbraw/zinc/24/76/42/374247642.db2.gz XZHKNALSZQYNPJ-YUTCNCBUSA-N 2 1 292.379 2.344 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000373644635 374397194 /nfs/dbraw/zinc/39/71/94/374397194.db2.gz OCYSJPMLDXFPEB-QZWWFDLISA-N 2 1 280.456 2.200 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000373644635 374397202 /nfs/dbraw/zinc/39/72/02/374397202.db2.gz OCYSJPMLDXFPEB-QZWWFDLISA-N 2 1 280.456 2.200 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000373644635 374397207 /nfs/dbraw/zinc/39/72/07/374397207.db2.gz OCYSJPMLDXFPEB-QZWWFDLISA-N 2 1 280.456 2.200 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000277114512 374407478 /nfs/dbraw/zinc/40/74/78/374407478.db2.gz HIQOZLLKTAMNMO-JKSUJKDBSA-N 2 1 280.387 2.275 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000277114512 374407485 /nfs/dbraw/zinc/40/74/85/374407485.db2.gz HIQOZLLKTAMNMO-JKSUJKDBSA-N 2 1 280.387 2.275 20 0 CEADMP CC[N@H+]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC000684162564 541934887 /nfs/dbraw/zinc/93/48/87/541934887.db2.gz FTGCWDJBBCWWTP-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC000684162564 541934892 /nfs/dbraw/zinc/93/48/92/541934892.db2.gz FTGCWDJBBCWWTP-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC000684162564 541934897 /nfs/dbraw/zinc/93/48/97/541934897.db2.gz FTGCWDJBBCWWTP-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1cncnc1)CC2)C1CC1 ZINC000374282986 374531913 /nfs/dbraw/zinc/53/19/13/374531913.db2.gz KJZUJOZGROVNEX-OAHLLOKOSA-N 2 1 286.423 2.173 20 0 CEADMP Cc1ccn2c(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cnc2c1 ZINC000334209657 206196002 /nfs/dbraw/zinc/19/60/02/206196002.db2.gz DIHYHXNQWCQIPT-ZIAGYGMSSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1ccn2c(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cnc2c1 ZINC000334209657 206196003 /nfs/dbraw/zinc/19/60/03/206196003.db2.gz DIHYHXNQWCQIPT-ZIAGYGMSSA-N 2 1 272.396 2.215 20 0 CEADMP c1cc2c(nc[nH+]c2NCC2CC[NH+](C3CC3)CC2)[nH]1 ZINC000277976501 374698531 /nfs/dbraw/zinc/69/85/31/374698531.db2.gz VKAGOJBJPWJKJH-UHFFFAOYSA-N 2 1 271.368 2.244 20 0 CEADMP Cc1cc(C)n(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000375835879 374682378 /nfs/dbraw/zinc/68/23/78/374682378.db2.gz AAKXGRXLZKOGHD-BBWFWOEESA-N 2 1 290.455 2.352 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000278165394 374737649 /nfs/dbraw/zinc/73/76/49/374737649.db2.gz ATGWBOKVZGWSNQ-YESZJQIVSA-N 2 1 274.408 2.245 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000278416730 374810874 /nfs/dbraw/zinc/81/08/74/374810874.db2.gz PYCQERBOVQXDQQ-GFCCVEGCSA-N 2 1 265.376 2.351 20 0 CEADMP C[C@H]([NH2+][C@H]1CCC[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382407931 375185135 /nfs/dbraw/zinc/18/51/35/375185135.db2.gz SOWXVVUNALTZBA-RANZSIQMSA-N 2 1 288.435 2.400 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000382016710 375183411 /nfs/dbraw/zinc/18/34/11/375183411.db2.gz WIAOTRBEEXTZRK-ZDUSSCGKSA-N 2 1 299.459 2.221 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000382343633 375184693 /nfs/dbraw/zinc/18/46/93/375184693.db2.gz CRKQDJYTNXQCSD-UTUOFQBUSA-N 2 1 280.334 2.028 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)Cn1ccnc1-c1ccccc1 ZINC000383690852 375205559 /nfs/dbraw/zinc/20/55/59/375205559.db2.gz ALWOUBYWRMCIBZ-HNNXBMFYSA-N 2 1 273.380 2.251 20 0 CEADMP C[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C1CC([NH3+])C1 ZINC000384893593 375221214 /nfs/dbraw/zinc/22/12/14/375221214.db2.gz URJQUOWOBYAOGM-UHFFFAOYSA-N 2 1 296.798 2.423 20 0 CEADMP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C1CC([NH3+])C1 ZINC000384893593 375221217 /nfs/dbraw/zinc/22/12/17/375221217.db2.gz URJQUOWOBYAOGM-UHFFFAOYSA-N 2 1 296.798 2.423 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC1CCCCCC1)C1CC1 ZINC000389515827 375306582 /nfs/dbraw/zinc/30/65/82/375306582.db2.gz FIZYFYZLZQTTGS-HNNXBMFYSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1CCCCCC1)C1CC1 ZINC000389515827 375306589 /nfs/dbraw/zinc/30/65/89/375306589.db2.gz FIZYFYZLZQTTGS-HNNXBMFYSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+](CCN[C@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000386963363 375268682 /nfs/dbraw/zinc/26/86/82/375268682.db2.gz ZNJCQZWDKCONHY-SJORKVTESA-N 2 1 275.440 2.226 20 0 CEADMP C[N@@H+](CCN[C@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000386963363 375268687 /nfs/dbraw/zinc/26/86/87/375268687.db2.gz ZNJCQZWDKCONHY-SJORKVTESA-N 2 1 275.440 2.226 20 0 CEADMP CC(C)[C@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)[C@H](C)[NH3+] ZINC000399402728 375364590 /nfs/dbraw/zinc/36/45/90/375364590.db2.gz SHESPAYTHJDVRV-HOCLYGCPSA-N 2 1 297.487 2.185 20 0 CEADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414204091 375802638 /nfs/dbraw/zinc/80/26/38/375802638.db2.gz ZYJBOVCBJORVPQ-KBPBESRZSA-N 2 1 284.444 2.428 20 0 CEADMP Cc1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)nn1C ZINC000414270475 375812492 /nfs/dbraw/zinc/81/24/92/375812492.db2.gz PZWWCCAXZJBWKW-UHFFFAOYSA-N 2 1 272.396 2.080 20 0 CEADMP C[NH2+][C@H](C)Cc1noc([C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000414642473 375894564 /nfs/dbraw/zinc/89/45/64/375894564.db2.gz JQKFTSIJSWWQAQ-WISYIIOYSA-N 2 1 266.389 2.154 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC000414759535 375952381 /nfs/dbraw/zinc/95/23/81/375952381.db2.gz OSVZYOJBIMSUGS-CABCVRRESA-N 2 1 256.434 2.233 20 0 CEADMP CCOc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1OC ZINC000414767073 375957858 /nfs/dbraw/zinc/95/78/58/375957858.db2.gz FOWONGVZTNBLRM-UHFFFAOYSA-N 2 1 264.369 2.015 20 0 CEADMP CCOc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1OC ZINC000414767073 375957867 /nfs/dbraw/zinc/95/78/67/375957867.db2.gz FOWONGVZTNBLRM-UHFFFAOYSA-N 2 1 264.369 2.015 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](C(C)(C)C)C2)CC[NH2+]1 ZINC000414769457 375958817 /nfs/dbraw/zinc/95/88/17/375958817.db2.gz WOTCAUYKLZCTNT-MGPQQGTHSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000414776274 375961092 /nfs/dbraw/zinc/96/10/92/375961092.db2.gz NDIUWKVAUFWVHP-UHFFFAOYSA-N 2 1 270.380 2.307 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000414776274 375961098 /nfs/dbraw/zinc/96/10/98/375961098.db2.gz NDIUWKVAUFWVHP-UHFFFAOYSA-N 2 1 270.380 2.307 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000414795594 375981081 /nfs/dbraw/zinc/98/10/81/375981081.db2.gz NCRIXMKMWBKRIV-PWSUYJOCSA-N 2 1 251.399 2.238 20 0 CEADMP CCO[C@H]1C[C@H]([N@@H+](C)CCC[NH3+])C12CCCCC2 ZINC000414691925 375921533 /nfs/dbraw/zinc/92/15/33/375921533.db2.gz CEVDQIWASXXIFR-KBPBESRZSA-N 2 1 254.418 2.395 20 0 CEADMP C[C@H]1C[C@H](CN2CC[NH+](CCC(C)(C)C)CC2)CC[NH2+]1 ZINC000414692485 375922429 /nfs/dbraw/zinc/92/24/29/375922429.db2.gz QHUJHRZBXIZANL-JKSUJKDBSA-N 2 1 281.488 2.428 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C)CC12CCCCC2 ZINC000414700596 375927925 /nfs/dbraw/zinc/92/79/25/375927925.db2.gz GIWRFHIYHMGBEO-OAHLLOKOSA-N 2 1 267.461 2.310 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414728556 375941704 /nfs/dbraw/zinc/94/17/04/375941704.db2.gz CHEFNLHZUDCKGU-IDCNUPLLSA-N 3 1 287.451 2.049 20 0 CEADMP C[N@H+](CCC[NH3+])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000414747349 375949703 /nfs/dbraw/zinc/94/97/03/375949703.db2.gz MUZZYBWOMGWNLY-STQMWFEESA-N 2 1 289.206 2.232 20 0 CEADMP C[N@@H+](CCC[NH3+])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000414747349 375949707 /nfs/dbraw/zinc/94/97/07/375949707.db2.gz MUZZYBWOMGWNLY-STQMWFEESA-N 2 1 289.206 2.232 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000414807812 375993626 /nfs/dbraw/zinc/99/36/26/375993626.db2.gz RNYCLHJLZCVFAX-IUCAKERBSA-N 2 1 259.806 2.404 20 0 CEADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000414807806 375994072 /nfs/dbraw/zinc/99/40/72/375994072.db2.gz RNYCLHJLZCVFAX-BDAKNGLRSA-N 2 1 259.806 2.404 20 0 CEADMP COC(=O)c1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)o1 ZINC000414811577 375996921 /nfs/dbraw/zinc/99/69/21/375996921.db2.gz PSNFTIDLJZZKOQ-NSHDSACASA-N 2 1 288.347 2.376 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000414816488 376001543 /nfs/dbraw/zinc/00/15/43/376001543.db2.gz XFEPKODIZVHWKC-WBMJQRKESA-N 2 1 262.397 2.343 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000414870822 376010349 /nfs/dbraw/zinc/01/03/49/376010349.db2.gz COONNVYPWMUSTM-SQWLQELKSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000414921883 376010436 /nfs/dbraw/zinc/01/04/36/376010436.db2.gz FDZZCDLMOSRILS-UKRRQHHQSA-N 2 1 295.471 2.001 20 0 CEADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000415979947 376030905 /nfs/dbraw/zinc/03/09/05/376030905.db2.gz FKOBGKINBDAJIP-DOMZBBRYSA-N 2 1 290.411 2.010 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414798807 375982647 /nfs/dbraw/zinc/98/26/47/375982647.db2.gz FYZJBWMKHIOPOA-UHFFFAOYSA-N 2 1 276.302 2.455 20 0 CEADMP COC(=O)c1coc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414802999 375987564 /nfs/dbraw/zinc/98/75/64/375987564.db2.gz CHXOEUHEJWNJHW-NSHDSACASA-N 2 1 288.347 2.376 20 0 CEADMP C[C@H](CCC[NH3+])NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000417049820 376181233 /nfs/dbraw/zinc/18/12/33/376181233.db2.gz VJTXXOSTYWCNPY-CABCVRRESA-N 2 1 298.475 2.068 20 0 CEADMP COc1ccncc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000287792884 376316254 /nfs/dbraw/zinc/31/62/54/376316254.db2.gz OACPYAJUBQHDQQ-ZFWWWQNUSA-N 2 1 275.396 2.006 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287817800 376321085 /nfs/dbraw/zinc/32/10/85/376321085.db2.gz VATAHUMYVJTRIN-CQSZACIVSA-N 2 1 297.406 2.180 20 0 CEADMP CC(C)CCNC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419257637 376415917 /nfs/dbraw/zinc/41/59/17/376415917.db2.gz AKKYVQCNXIPYEC-AWEZNQCLSA-N 2 1 295.471 2.144 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419299915 376435230 /nfs/dbraw/zinc/43/52/30/376435230.db2.gz ZWMJYKLPOOIULN-ZDUSSCGKSA-N 2 1 295.471 2.286 20 0 CEADMP CC(C)[NH+]1CCC(Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000263755366 190076618 /nfs/dbraw/zinc/07/66/18/190076618.db2.gz HJNSEZXJIUNAKK-UHFFFAOYSA-N 2 1 259.357 2.243 20 0 CEADMP Cc1ccncc1CCC[N@H+]1CCC[C@](F)(CO)C1 ZINC000289692698 376448169 /nfs/dbraw/zinc/44/81/69/376448169.db2.gz FQMARLCZKJWOFV-OAHLLOKOSA-N 2 1 266.360 2.119 20 0 CEADMP Cc1ccncc1CCCN1CCC[C@](F)(CO)C1 ZINC000289692698 376448172 /nfs/dbraw/zinc/44/81/72/376448172.db2.gz FQMARLCZKJWOFV-OAHLLOKOSA-N 2 1 266.360 2.119 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(CO)cc1 ZINC000305830866 376512813 /nfs/dbraw/zinc/51/28/13/376512813.db2.gz OADJVFZUHUIEHP-UHFFFAOYSA-N 2 1 273.380 2.206 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(CO)cc1 ZINC000305830866 376512816 /nfs/dbraw/zinc/51/28/16/376512816.db2.gz OADJVFZUHUIEHP-UHFFFAOYSA-N 2 1 273.380 2.206 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1O ZINC000290009002 376600025 /nfs/dbraw/zinc/60/00/25/376600025.db2.gz ZJCXMDRIFUMNDC-NSHDSACASA-N 2 1 252.358 2.003 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000309827737 376605822 /nfs/dbraw/zinc/60/58/22/376605822.db2.gz BRLJCWKXZGQDEX-BFHYXJOUSA-N 2 1 299.459 2.077 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000307637651 376569350 /nfs/dbraw/zinc/56/93/50/376569350.db2.gz XCCXRYDZFKZQEB-FUHWJXTLSA-N 2 1 287.451 2.144 20 0 CEADMP CCOCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309964260 376610630 /nfs/dbraw/zinc/61/06/30/376610630.db2.gz KAOVMSGYEYKVTN-ZWKOTPCHSA-N 2 1 288.435 2.477 20 0 CEADMP CCOCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309964260 376610640 /nfs/dbraw/zinc/61/06/40/376610640.db2.gz KAOVMSGYEYKVTN-ZWKOTPCHSA-N 2 1 288.435 2.477 20 0 CEADMP CCOCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309964260 376610649 /nfs/dbraw/zinc/61/06/49/376610649.db2.gz KAOVMSGYEYKVTN-ZWKOTPCHSA-N 2 1 288.435 2.477 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000310960615 376646276 /nfs/dbraw/zinc/64/62/76/376646276.db2.gz GOYGAEAVUJAODD-UHFFFAOYSA-N 2 1 254.418 2.125 20 0 CEADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](OC(F)F)C1 ZINC000558864488 376650439 /nfs/dbraw/zinc/65/04/39/376650439.db2.gz WLJWVWXOBNHDDW-RYUDHWBXSA-N 2 1 262.344 2.174 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](OC(F)F)C1 ZINC000558864488 376650447 /nfs/dbraw/zinc/65/04/47/376650447.db2.gz WLJWVWXOBNHDDW-RYUDHWBXSA-N 2 1 262.344 2.174 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558864488 376650454 /nfs/dbraw/zinc/65/04/54/376650454.db2.gz WLJWVWXOBNHDDW-RYUDHWBXSA-N 2 1 262.344 2.174 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558864488 376650461 /nfs/dbraw/zinc/65/04/61/376650461.db2.gz WLJWVWXOBNHDDW-RYUDHWBXSA-N 2 1 262.344 2.174 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000311217695 376658613 /nfs/dbraw/zinc/65/86/13/376658613.db2.gz NDAULBCLOQWQKP-ZDUSSCGKSA-N 2 1 255.450 2.356 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000311219982 376659175 /nfs/dbraw/zinc/65/91/75/376659175.db2.gz NTDJRLXDZXPAJA-CQSZACIVSA-N 3 1 255.450 2.358 20 0 CEADMP CCc1nc(NC2CCC([NH+](C)C)CC2)cc(C)[nH+]1 ZINC000420622953 376695263 /nfs/dbraw/zinc/69/52/63/376695263.db2.gz GSGGMVGBSBQGRK-UHFFFAOYSA-N 2 1 262.401 2.054 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2C)C12CCC2 ZINC000311943451 376696448 /nfs/dbraw/zinc/69/64/48/376696448.db2.gz IFFKVNDYIFPJAD-UONOGXRCSA-N 2 1 263.385 2.129 20 0 CEADMP COc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1O ZINC000290394315 376759401 /nfs/dbraw/zinc/75/94/01/376759401.db2.gz JADOPTRSNAALOW-HUUCEWRRSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1O ZINC000290394315 376759412 /nfs/dbraw/zinc/75/94/12/376759412.db2.gz JADOPTRSNAALOW-HUUCEWRRSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1O ZINC000290394315 376759426 /nfs/dbraw/zinc/75/94/26/376759426.db2.gz JADOPTRSNAALOW-HUUCEWRRSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1O ZINC000290394315 376759429 /nfs/dbraw/zinc/75/94/29/376759429.db2.gz JADOPTRSNAALOW-HUUCEWRRSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1O ZINC000290394315 376759442 /nfs/dbraw/zinc/75/94/42/376759442.db2.gz JADOPTRSNAALOW-HUUCEWRRSA-N 2 1 290.407 2.317 20 0 CEADMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C(C)(C)C)n1 ZINC000314970713 376790492 /nfs/dbraw/zinc/79/04/92/376790492.db2.gz SLFAYOCCZKKEQJ-OKILXGFUSA-N 2 1 290.455 2.149 20 0 CEADMP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000314397416 376772505 /nfs/dbraw/zinc/77/25/05/376772505.db2.gz VXBRTKVQQUMGRS-ZDUSSCGKSA-N 2 1 288.439 2.348 20 0 CEADMP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000314397416 376772514 /nfs/dbraw/zinc/77/25/14/376772514.db2.gz VXBRTKVQQUMGRS-ZDUSSCGKSA-N 2 1 288.439 2.348 20 0 CEADMP Cc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000280067681 542116952 /nfs/dbraw/zinc/11/69/52/542116952.db2.gz KUNJFRZFQPQGTN-JGGQBBKZSA-N 2 1 261.413 2.251 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)[C@H]2CCCOC2)cc1 ZINC000685438600 542137540 /nfs/dbraw/zinc/13/75/40/542137540.db2.gz HKBFNNJAOIUBKF-INIZCTEOSA-N 2 1 292.423 2.238 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn[nH]c1 ZINC000685462740 542144941 /nfs/dbraw/zinc/14/49/41/542144941.db2.gz GYAWJNUWFOSARD-UHFFFAOYSA-N 2 1 261.373 2.081 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn[nH]c1 ZINC000685462740 542144944 /nfs/dbraw/zinc/14/49/44/542144944.db2.gz GYAWJNUWFOSARD-UHFFFAOYSA-N 2 1 261.373 2.081 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000290643809 376862232 /nfs/dbraw/zinc/86/22/32/376862232.db2.gz YRLVCYDUEOFALA-OAHLLOKOSA-N 2 1 289.423 2.259 20 0 CEADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422951642 376876471 /nfs/dbraw/zinc/87/64/71/376876471.db2.gz ZLRAFUCZNYOPCP-OLZOCXBDSA-N 2 1 289.423 2.369 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000422960914 376886509 /nfs/dbraw/zinc/88/65/09/376886509.db2.gz ABKXHUAQWSWFGM-QLFBSQMISA-N 2 1 277.412 2.276 20 0 CEADMP CC[C@@H](NC[C@H](c1ccco1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422965273 376895846 /nfs/dbraw/zinc/89/58/46/376895846.db2.gz OHNFNECNTVOBTE-HZSPNIEDSA-N 2 1 265.401 2.003 20 0 CEADMP C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000423080011 376975055 /nfs/dbraw/zinc/97/50/55/376975055.db2.gz ZDHIHOXYOUZZIX-STECZYCISA-N 2 1 292.398 2.022 20 0 CEADMP CNC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000562478959 376908133 /nfs/dbraw/zinc/90/81/33/376908133.db2.gz RPWZNPJCXFAZEF-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CNC(=O)CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000562478959 376908139 /nfs/dbraw/zinc/90/81/39/376908139.db2.gz RPWZNPJCXFAZEF-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1C[NH2+]CC[C@H]1C ZINC000422996353 376912560 /nfs/dbraw/zinc/91/25/60/376912560.db2.gz LMFUSZXESUJHQD-OAGGEKHMSA-N 2 1 267.461 2.085 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422997035 376914906 /nfs/dbraw/zinc/91/49/06/376914906.db2.gz NDJKQNCOPFTVIG-JYJNAYRXSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]([NH2+]CCSCC(F)(F)F)c1c[nH+]ccc1N ZINC000423019045 376933931 /nfs/dbraw/zinc/93/39/31/376933931.db2.gz TUPBJHRLGHWYOX-MRVPVSSYSA-N 2 1 279.331 2.440 20 0 CEADMP CC[C@@H]([NH2+][C@@H]1COc2cc(OC)ccc2C1)[C@@H]1CCC[NH2+]1 ZINC000423023718 376941226 /nfs/dbraw/zinc/94/12/26/376941226.db2.gz KHXUBVJWOUYISF-IMJJTQAJSA-N 2 1 290.407 2.119 20 0 CEADMP C[NH+](C)CC1(CN[C@@H]2CCCC[C@@H]2C[NH3+])CCCC1 ZINC000423040249 376945846 /nfs/dbraw/zinc/94/58/46/376945846.db2.gz STISNYDRJBGECF-HUUCEWRRSA-N 2 1 267.461 2.216 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000423056062 376950756 /nfs/dbraw/zinc/95/07/56/376950756.db2.gz WWXLXYMTBRIVJV-OZVIIMIRSA-N 2 1 290.386 2.364 20 0 CEADMP COc1ccc(F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423064346 376952306 /nfs/dbraw/zinc/95/23/06/376952306.db2.gz RFGIXBGVTWDZJD-PBWFPOADSA-N 2 1 264.344 2.207 20 0 CEADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423085346 376978925 /nfs/dbraw/zinc/97/89/25/376978925.db2.gz KGONFZZQXZBXAU-JLUCKKNBSA-N 2 1 274.364 2.063 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000423079223 376971353 /nfs/dbraw/zinc/97/13/53/376971353.db2.gz XTRSDLZKWWJTKX-HJWJTTGWSA-N 2 1 274.408 2.352 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000423118630 377013318 /nfs/dbraw/zinc/01/33/18/377013318.db2.gz BOFUGXCANVARBL-XUJVJEKNSA-N 2 1 282.815 2.004 20 0 CEADMP CSC1(C[NH2+][C@H]2CCCCC[C@H]2N)CC[NH+](C)CC1 ZINC000423120497 377015659 /nfs/dbraw/zinc/01/56/59/377015659.db2.gz GWTKBMAKFJIZLZ-KGLIPLIRSA-N 2 1 285.501 2.063 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@]1(C)C[C@H]1c1ccccc1)C1CC1 ZINC000562998209 377053358 /nfs/dbraw/zinc/05/33/58/377053358.db2.gz CJNZPDUWDCOSIF-BZSNNMDCSA-N 2 1 288.435 2.225 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@]1(C)C[C@H]1c1ccccc1)C1CC1 ZINC000562998209 377053364 /nfs/dbraw/zinc/05/33/64/377053364.db2.gz CJNZPDUWDCOSIF-BZSNNMDCSA-N 2 1 288.435 2.225 20 0 CEADMP COc1ccncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423121247 377017268 /nfs/dbraw/zinc/01/72/68/377017268.db2.gz AKJFGIPWAYEVIX-BZUAXINKSA-N 2 1 289.423 2.491 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423126626 377024971 /nfs/dbraw/zinc/02/49/71/377024971.db2.gz SABZRYOADXZMHG-RCBQFDQVSA-N 2 1 261.413 2.450 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423131966 377029790 /nfs/dbraw/zinc/02/97/90/377029790.db2.gz IMBOTYXHUGZTPN-MFKMUULPSA-N 2 1 287.329 2.231 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)C1C[NH2+]C1 ZINC000423133478 377032978 /nfs/dbraw/zinc/03/29/78/377032978.db2.gz KSDHTUOUFYBUDV-QMMMGPOBSA-N 2 1 274.286 2.125 20 0 CEADMP Cc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)C2 ZINC000423138012 377037542 /nfs/dbraw/zinc/03/75/42/377037542.db2.gz ITGNDFAIGVVLKU-GXTWGEPZSA-N 2 1 283.375 2.457 20 0 CEADMP CSc1ccc([C@H](C[NH2+][C@@H](C)C2C[NH2+]C2)N(C)C)cc1 ZINC000423145589 377044830 /nfs/dbraw/zinc/04/48/30/377044830.db2.gz LMRILESCUDGTED-LRDDRELGSA-N 2 1 293.480 2.209 20 0 CEADMP COC[C@@H](CCC[NH3+])NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423092995 376987738 /nfs/dbraw/zinc/98/77/38/376987738.db2.gz FDCBJHJWRPIODV-WBVHZDCISA-N 2 1 297.487 2.127 20 0 CEADMP COC[C@@H](CCC[NH3+])NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000423092995 376987744 /nfs/dbraw/zinc/98/77/44/376987744.db2.gz FDCBJHJWRPIODV-WBVHZDCISA-N 2 1 297.487 2.127 20 0 CEADMP CSc1cccc(F)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423103615 376995919 /nfs/dbraw/zinc/99/59/19/376995919.db2.gz LJZCNATZEPBCDS-MPKXVKKWSA-N 2 1 298.427 2.390 20 0 CEADMP CC(C)[N@H+](Cc1cnc(N(C)C)n1C)Cc1ccccn1 ZINC000563021451 377065318 /nfs/dbraw/zinc/06/53/18/377065318.db2.gz XWZSTYBXYROTNE-UHFFFAOYSA-N 2 1 287.411 2.292 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2c[nH+]ccc2N)cc1C ZINC000423160965 377067647 /nfs/dbraw/zinc/06/76/47/377067647.db2.gz IFENIHNCPOSECS-GDBMZVCRSA-N 2 1 299.418 2.365 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+])C1CC1 ZINC000423164123 377068241 /nfs/dbraw/zinc/06/82/41/377068241.db2.gz NZPPNGRCSRNGQV-HUUCEWRRSA-N 3 1 253.434 2.110 20 0 CEADMP C[N@H+](CCCC[NH2+][C@@H]1CCCCC[C@H]1N)C1CC1 ZINC000423164123 377068252 /nfs/dbraw/zinc/06/82/52/377068252.db2.gz NZPPNGRCSRNGQV-HUUCEWRRSA-N 2 1 253.434 2.110 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCCC[C@H]1N)C1CC1 ZINC000423164123 377068264 /nfs/dbraw/zinc/06/82/64/377068264.db2.gz NZPPNGRCSRNGQV-HUUCEWRRSA-N 2 1 253.434 2.110 20 0 CEADMP CC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cnn(C)c1 ZINC000423177805 377087006 /nfs/dbraw/zinc/08/70/06/377087006.db2.gz JNTGDKSVXJWTRC-ZDUSSCGKSA-N 2 1 250.390 2.122 20 0 CEADMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC[NH3+] ZINC000423179238 377089681 /nfs/dbraw/zinc/08/96/81/377089681.db2.gz JJLHHQOYJJPSHV-QMMMGPOBSA-N 2 1 275.165 2.068 20 0 CEADMP COc1ncc([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1Cl ZINC000423187123 377099843 /nfs/dbraw/zinc/09/98/43/377099843.db2.gz OZYUXTHTULUDGV-SECBINFHSA-N 2 1 269.776 2.146 20 0 CEADMP C[C@H](NC1CC[NH2+]CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423188692 377102844 /nfs/dbraw/zinc/10/28/44/377102844.db2.gz QAIUCLWYRHSYMM-AWEZNQCLSA-N 2 1 291.439 2.030 20 0 CEADMP [NH3+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423192169 377104476 /nfs/dbraw/zinc/10/44/76/377104476.db2.gz PRVJFEOLWSEMDZ-RCCFBDPRSA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423192169 377104481 /nfs/dbraw/zinc/10/44/81/377104481.db2.gz PRVJFEOLWSEMDZ-RCCFBDPRSA-N 3 1 287.451 2.368 20 0 CEADMP [NH3+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423192169 377104485 /nfs/dbraw/zinc/10/44/85/377104485.db2.gz PRVJFEOLWSEMDZ-RCCFBDPRSA-N 3 1 287.451 2.368 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000423270051 377189955 /nfs/dbraw/zinc/18/99/55/377189955.db2.gz WKBPVNWXDHNBHF-CZUORRHYSA-N 2 1 291.439 2.412 20 0 CEADMP C[NH2+]C[C@@H](C)CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423272316 377191234 /nfs/dbraw/zinc/19/12/34/377191234.db2.gz JUWAWKWZPVHJDR-HUUCEWRRSA-N 2 1 293.455 2.133 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423274753 377197695 /nfs/dbraw/zinc/19/76/95/377197695.db2.gz MHWLHHMMGHHVMI-WMLDXEAASA-N 3 1 293.455 2.261 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000423274274 377197890 /nfs/dbraw/zinc/19/78/90/377197890.db2.gz LRLGAOFLEKDJBA-RYUDHWBXSA-N 2 1 266.385 2.210 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000423281984 377208907 /nfs/dbraw/zinc/20/89/07/377208907.db2.gz WAXAIWDUTDULCL-NWDGAFQWSA-N 2 1 266.385 2.210 20 0 CEADMP C[C@H]([NH2+][C@H](CN)C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423283758 377213191 /nfs/dbraw/zinc/21/31/91/377213191.db2.gz WEPIZPMPWOQCLC-SUMWQHHRSA-N 2 1 291.439 2.015 20 0 CEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423283758 377213199 /nfs/dbraw/zinc/21/31/99/377213199.db2.gz WEPIZPMPWOQCLC-SUMWQHHRSA-N 3 1 291.439 2.015 20 0 CEADMP CCCCO[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C1(C)C ZINC000423285221 377214355 /nfs/dbraw/zinc/21/43/55/377214355.db2.gz YAXCEZRPLKWRGM-MGPQQGTHSA-N 2 1 254.418 2.297 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC000423288450 377217766 /nfs/dbraw/zinc/21/77/66/377217766.db2.gz SCDGTLVLSGDHFH-ZDUSSCGKSA-N 3 1 279.428 2.015 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000423291563 377223131 /nfs/dbraw/zinc/22/31/31/377223131.db2.gz IVWASIITAMFBPY-WOSRLPQWSA-N 2 1 261.413 2.136 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000423291563 377223136 /nfs/dbraw/zinc/22/31/36/377223136.db2.gz IVWASIITAMFBPY-WOSRLPQWSA-N 2 1 261.413 2.136 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000423293718 377223352 /nfs/dbraw/zinc/22/33/52/377223352.db2.gz AOSWXEIQSRLREF-ZJUUUORDSA-N 2 1 280.803 2.472 20 0 CEADMP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423336652 377267843 /nfs/dbraw/zinc/26/78/43/377267843.db2.gz XWZYPJHZWCFRMF-BLLLJJGKSA-N 2 1 278.396 2.100 20 0 CEADMP CC(=O)Nc1cccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292164560 377228357 /nfs/dbraw/zinc/22/83/57/377228357.db2.gz OXHIPKJAUBAVDQ-QGZVFWFLSA-N 2 1 287.407 2.173 20 0 CEADMP CC(=O)Nc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292164560 377228366 /nfs/dbraw/zinc/22/83/66/377228366.db2.gz OXHIPKJAUBAVDQ-QGZVFWFLSA-N 2 1 287.407 2.173 20 0 CEADMP CC(=O)Nc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292164560 377228376 /nfs/dbraw/zinc/22/83/76/377228376.db2.gz OXHIPKJAUBAVDQ-QGZVFWFLSA-N 2 1 287.407 2.173 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292164560 377228381 /nfs/dbraw/zinc/22/83/81/377228381.db2.gz OXHIPKJAUBAVDQ-QGZVFWFLSA-N 2 1 287.407 2.173 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292164560 377228389 /nfs/dbraw/zinc/22/83/89/377228389.db2.gz OXHIPKJAUBAVDQ-QGZVFWFLSA-N 2 1 287.407 2.173 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)C12CCCC2 ZINC000423305834 377234388 /nfs/dbraw/zinc/23/43/88/377234388.db2.gz RTQFTTGYHFJCTM-IHRRRGAJSA-N 2 1 252.402 2.066 20 0 CEADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000423305324 377234719 /nfs/dbraw/zinc/23/47/19/377234719.db2.gz QQZUMSGYXUPRDE-ILXRZTDVSA-N 2 1 282.428 2.230 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000423313706 377243342 /nfs/dbraw/zinc/24/33/42/377243342.db2.gz XGCOWBCHTFAGRE-XJKSGUPXSA-N 2 1 255.365 2.355 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)CC(C)C ZINC000563631830 377268820 /nfs/dbraw/zinc/26/88/20/377268820.db2.gz OTVTZYFNIKIHAQ-LSDHHAIUSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)CC(C)C ZINC000563631830 377268830 /nfs/dbraw/zinc/26/88/30/377268830.db2.gz OTVTZYFNIKIHAQ-LSDHHAIUSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)CC(C)C ZINC000563631830 377268840 /nfs/dbraw/zinc/26/88/40/377268840.db2.gz OTVTZYFNIKIHAQ-LSDHHAIUSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(C)CC(C)C ZINC000563631830 377268848 /nfs/dbraw/zinc/26/88/48/377268848.db2.gz OTVTZYFNIKIHAQ-LSDHHAIUSA-N 2 1 256.434 2.200 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH3+])CCC1 ZINC000423315845 377246130 /nfs/dbraw/zinc/24/61/30/377246130.db2.gz BCAXDNUPIVXYIY-NVXWUHKLSA-N 2 1 287.451 2.368 20 0 CEADMP COc1c(C)nc(C2CC2)nc1N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000563549437 377249205 /nfs/dbraw/zinc/24/92/05/377249205.db2.gz RSHLDSKMLFPNNO-PHIMTYICSA-N 2 1 290.411 2.200 20 0 CEADMP COc1c(C)nc(C2CC2)nc1N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000563549437 377249212 /nfs/dbraw/zinc/24/92/12/377249212.db2.gz RSHLDSKMLFPNNO-PHIMTYICSA-N 2 1 290.411 2.200 20 0 CEADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423320358 377250914 /nfs/dbraw/zinc/25/09/14/377250914.db2.gz GFCVCGFAPAWKTG-VXGBXAGGSA-N 2 1 278.400 2.214 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000423322389 377251909 /nfs/dbraw/zinc/25/19/09/377251909.db2.gz HBKLRFYMZNLVNM-KFWWJZLASA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423323081 377255128 /nfs/dbraw/zinc/25/51/28/377255128.db2.gz JKSAEKCHTXIIAK-LALPHHSUSA-N 2 1 266.360 2.230 20 0 CEADMP C[C@H](C[NH3+])N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423322464 377255236 /nfs/dbraw/zinc/25/52/36/377255236.db2.gz IQLVZRKPEPRHOC-NRSFXHEJSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(F)(F)C[NH3+] ZINC000423323768 377255732 /nfs/dbraw/zinc/25/57/32/377255732.db2.gz KFYTUBQUVJSSII-DZGCQCFKSA-N 2 1 297.393 2.081 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(F)(F)C[NH3+] ZINC000423323768 377255739 /nfs/dbraw/zinc/25/57/39/377255739.db2.gz KFYTUBQUVJSSII-DZGCQCFKSA-N 2 1 297.393 2.081 20 0 CEADMP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)s1 ZINC000423328740 377263087 /nfs/dbraw/zinc/26/30/87/377263087.db2.gz SFXZSAOIIGXLTR-KWQFWETISA-N 2 1 253.415 2.402 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000564822921 377464127 /nfs/dbraw/zinc/46/41/27/377464127.db2.gz VDGIVJHVWGYKMV-CXQJBGSLSA-N 2 1 282.350 2.185 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)C1 ZINC000565161065 377578204 /nfs/dbraw/zinc/57/82/04/377578204.db2.gz FEQJEMDZDITIRM-ZIAGYGMSSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000565161065 377578214 /nfs/dbraw/zinc/57/82/14/377578214.db2.gz FEQJEMDZDITIRM-ZIAGYGMSSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000565161065 377578220 /nfs/dbraw/zinc/57/82/20/377578220.db2.gz FEQJEMDZDITIRM-ZIAGYGMSSA-N 2 1 256.434 2.057 20 0 CEADMP [NH3+]C1CCC([N@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000335008208 295210739 /nfs/dbraw/zinc/21/07/39/295210739.db2.gz IPBFZQSLOPZDDD-JXQTWKCFSA-N 2 1 254.443 2.475 20 0 CEADMP CC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H](C)C(C)C ZINC000431090595 377597595 /nfs/dbraw/zinc/59/75/95/377597595.db2.gz ZABUEOBYMUUOCQ-SNVBAGLBSA-N 2 1 254.378 2.130 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431914754 377685917 /nfs/dbraw/zinc/68/59/17/377685917.db2.gz UYSYJDLKBCZZGR-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1nccn1CCC[N@H+](C)Cc1cnn(CC(F)F)c1 ZINC000293910832 377822395 /nfs/dbraw/zinc/82/23/95/377822395.db2.gz LTOZSYCZNGJJCQ-UHFFFAOYSA-N 2 1 297.353 2.175 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnn(CC(F)F)c1 ZINC000293910832 377822406 /nfs/dbraw/zinc/82/24/06/377822406.db2.gz LTOZSYCZNGJJCQ-UHFFFAOYSA-N 2 1 297.353 2.175 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CCOC2)C1 ZINC000438110993 377886617 /nfs/dbraw/zinc/88/66/17/377886617.db2.gz WYDUSWSDYZFVCB-GJZGRUSLSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000438110993 377886622 /nfs/dbraw/zinc/88/66/22/377886622.db2.gz WYDUSWSDYZFVCB-GJZGRUSLSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000438110993 377886627 /nfs/dbraw/zinc/88/66/27/377886627.db2.gz WYDUSWSDYZFVCB-GJZGRUSLSA-N 2 1 254.418 2.077 20 0 CEADMP C[C@H]1CCCN1C(=O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441355603 377937451 /nfs/dbraw/zinc/93/74/51/377937451.db2.gz KPQXTZFWUSTAIA-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H]1CCCN1C(=O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441355603 377937458 /nfs/dbraw/zinc/93/74/58/377937458.db2.gz KPQXTZFWUSTAIA-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000442666283 377978204 /nfs/dbraw/zinc/97/82/04/377978204.db2.gz TZUWFKYPVVNXRM-OLZOCXBDSA-N 2 1 250.411 2.448 20 0 CEADMP C[C@@H]([NH3+])C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000442666283 377978208 /nfs/dbraw/zinc/97/82/08/377978208.db2.gz TZUWFKYPVVNXRM-OLZOCXBDSA-N 2 1 250.411 2.448 20 0 CEADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442765284 377994189 /nfs/dbraw/zinc/99/41/89/377994189.db2.gz MABOVHIGLDCKRS-FRRDWIJNSA-N 2 1 286.379 2.467 20 0 CEADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442765284 377994197 /nfs/dbraw/zinc/99/41/97/377994197.db2.gz MABOVHIGLDCKRS-FRRDWIJNSA-N 2 1 286.379 2.467 20 0 CEADMP Cc1cccn2c(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cnc12 ZINC000442926720 378018811 /nfs/dbraw/zinc/01/88/11/378018811.db2.gz ZSRURKXZDXTWDX-AWEZNQCLSA-N 2 1 272.396 2.204 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000294930338 378029371 /nfs/dbraw/zinc/02/93/71/378029371.db2.gz BDOGACPJUYOAJZ-HUUCEWRRSA-N 2 1 291.439 2.011 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@H+]1C ZINC000447590508 378122569 /nfs/dbraw/zinc/12/25/69/378122569.db2.gz CYLHMMBZKUVRKA-FMKPAKJESA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1C ZINC000447590508 378122574 /nfs/dbraw/zinc/12/25/74/378122574.db2.gz CYLHMMBZKUVRKA-FMKPAKJESA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@H+]2C2CC2)CC[NH+]1C ZINC000447590508 378122580 /nfs/dbraw/zinc/12/25/80/378122580.db2.gz CYLHMMBZKUVRKA-FMKPAKJESA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)CC[N@@H+]1C ZINC000447590508 378122587 /nfs/dbraw/zinc/12/25/87/378122587.db2.gz CYLHMMBZKUVRKA-FMKPAKJESA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)CC[N@H+]1C ZINC000447590508 378122595 /nfs/dbraw/zinc/12/25/95/378122595.db2.gz CYLHMMBZKUVRKA-FMKPAKJESA-N 2 1 265.445 2.076 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NC1CC1 ZINC000360956095 284686188 /nfs/dbraw/zinc/68/61/88/284686188.db2.gz LJULCHNCTDSKAS-YCPHGPKFSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN(C)CC[NH+]1CCCC1 ZINC000450400851 378395823 /nfs/dbraw/zinc/39/58/23/378395823.db2.gz FBSCRNVSUCHWDV-INIZCTEOSA-N 2 1 267.461 2.277 20 0 CEADMP CN(CC[NH+](C)C1CC1)CC[N@@H+](C)Cc1ccccc1 ZINC000450757068 378564164 /nfs/dbraw/zinc/56/41/64/378564164.db2.gz MLZAHEQPTGXCIZ-UHFFFAOYSA-N 2 1 275.440 2.144 20 0 CEADMP CN(CC[NH+](C)Cc1ccccc1)CC[N@H+](C)C1CC1 ZINC000450757068 378564170 /nfs/dbraw/zinc/56/41/70/378564170.db2.gz MLZAHEQPTGXCIZ-UHFFFAOYSA-N 2 1 275.440 2.144 20 0 CEADMP CN(CC[NH+](C)Cc1ccccc1)CC[N@@H+](C)C1CC1 ZINC000450757068 378564174 /nfs/dbraw/zinc/56/41/74/378564174.db2.gz MLZAHEQPTGXCIZ-UHFFFAOYSA-N 2 1 275.440 2.144 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000296640982 378601487 /nfs/dbraw/zinc/60/14/87/378601487.db2.gz YBRFXILQCFHEOT-PVAVHDDUSA-N 2 1 276.424 2.316 20 0 CEADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CCC1 ZINC000453092553 378800653 /nfs/dbraw/zinc/80/06/53/378800653.db2.gz DPZDCKXUPATDIV-MRXNPFEDSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncn1 ZINC000453057364 378787386 /nfs/dbraw/zinc/78/73/86/378787386.db2.gz IKOGYJCIUZSSRP-QLFBSQMISA-N 2 1 276.428 2.495 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000346772963 218011187 /nfs/dbraw/zinc/01/11/87/218011187.db2.gz BWPPYDSOCKAAOZ-IMJJTQAJSA-N 2 1 274.408 2.310 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000453091490 378798368 /nfs/dbraw/zinc/79/83/68/378798368.db2.gz DFGFVTRWIGIFNH-FVQBIDKESA-N 2 1 296.842 2.488 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1cnccn1 ZINC000453163865 378821500 /nfs/dbraw/zinc/82/15/00/378821500.db2.gz DKWQTRSXDICPCJ-GDBMZVCRSA-N 2 1 276.428 2.118 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1cnccn1 ZINC000453163865 378821504 /nfs/dbraw/zinc/82/15/04/378821504.db2.gz DKWQTRSXDICPCJ-GDBMZVCRSA-N 2 1 276.428 2.118 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346838913 218030021 /nfs/dbraw/zinc/03/00/21/218030021.db2.gz RYELDJBKDCSJMJ-NUEKZKHPSA-N 2 1 290.455 2.424 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000346851362 218036171 /nfs/dbraw/zinc/03/61/71/218036171.db2.gz JGRIEGRUBBKLIX-HRCADAONSA-N 2 1 276.428 2.098 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC[N@@H+]1C ZINC000453294229 378858162 /nfs/dbraw/zinc/85/81/62/378858162.db2.gz XMYMHLVGMHUMDC-ILXRZTDVSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC[N@H+]1C ZINC000453294229 378858165 /nfs/dbraw/zinc/85/81/65/378858165.db2.gz XMYMHLVGMHUMDC-ILXRZTDVSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC[NH+]1C ZINC000453294229 378858167 /nfs/dbraw/zinc/85/81/67/378858167.db2.gz XMYMHLVGMHUMDC-ILXRZTDVSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC[NH+]1C ZINC000453294229 378858169 /nfs/dbraw/zinc/85/81/69/378858169.db2.gz XMYMHLVGMHUMDC-ILXRZTDVSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347007379 218088526 /nfs/dbraw/zinc/08/85/26/218088526.db2.gz QFVLOYLUQQENBE-IJEWVQPXSA-N 2 1 268.445 2.498 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(C)(C)[NH3+] ZINC000346965870 218072717 /nfs/dbraw/zinc/07/27/17/218072717.db2.gz CVHLVBHAYZAQJG-HNNXBMFYSA-N 2 1 275.440 2.320 20 0 CEADMP CCS[C@@H](C)c1noc(C[N@H+](C)CC2CC[NH2+]CC2)n1 ZINC000346998878 218087557 /nfs/dbraw/zinc/08/75/57/218087557.db2.gz YHGVSUWRSKDPCW-NSHDSACASA-N 2 1 298.456 2.315 20 0 CEADMP CCS[C@@H](C)c1noc(C[N@@H+](C)CC2CC[NH2+]CC2)n1 ZINC000346998878 218087559 /nfs/dbraw/zinc/08/75/59/218087559.db2.gz YHGVSUWRSKDPCW-NSHDSACASA-N 2 1 298.456 2.315 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000347031803 218098445 /nfs/dbraw/zinc/09/84/45/218098445.db2.gz AOTWDLYRGRWWBO-LBPRGKRZSA-N 2 1 288.370 2.387 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347043362 218101631 /nfs/dbraw/zinc/10/16/31/218101631.db2.gz MEJNDCZSTPOYGY-ZDUSSCGKSA-N 2 1 264.417 2.036 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347043362 218101633 /nfs/dbraw/zinc/10/16/33/218101633.db2.gz MEJNDCZSTPOYGY-ZDUSSCGKSA-N 2 1 264.417 2.036 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1-n1cncn1 ZINC000347050523 218103663 /nfs/dbraw/zinc/10/36/63/218103663.db2.gz QVNNVSQFFDEVDD-GOEBONIOSA-N 2 1 299.422 2.135 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](C/C=C/c2ccccc2OC)C1 ZINC000347082549 218115741 /nfs/dbraw/zinc/11/57/41/218115741.db2.gz ZLWVFQUJVBLHLQ-DYLGSBMWSA-N 2 1 260.381 2.250 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2OC)C1 ZINC000347082549 218115742 /nfs/dbraw/zinc/11/57/42/218115742.db2.gz ZLWVFQUJVBLHLQ-DYLGSBMWSA-N 2 1 260.381 2.250 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000347089683 218116914 /nfs/dbraw/zinc/11/69/14/218116914.db2.gz FKHNXVFDDXLHFU-SRXPKIRMSA-N 2 1 266.429 2.406 20 0 CEADMP C(C[NH2+]C1CC[NH+](C2CC2)CC1)CC1CCOCC1 ZINC000347242635 218166882 /nfs/dbraw/zinc/16/68/82/218166882.db2.gz SXTRLHKZHYZIGO-UHFFFAOYSA-N 2 1 266.429 2.410 20 0 CEADMP COc1ccc([C@@H](C)C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000347190766 218149496 /nfs/dbraw/zinc/14/94/96/218149496.db2.gz DSELKTUYKRQQBX-ZDUSSCGKSA-N 2 1 262.397 2.483 20 0 CEADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC1CCOCC1 ZINC000347195233 218151875 /nfs/dbraw/zinc/15/18/75/218151875.db2.gz SZYRLLVKMHPCQL-HZPDHXFCSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCC2CCOCC2)CC[N@H+]1C ZINC000347412076 218225493 /nfs/dbraw/zinc/22/54/93/218225493.db2.gz GKOZOSRQTDWVTB-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCC2CCOCC2)CC[N@H+]1C ZINC000347412080 218225647 /nfs/dbraw/zinc/22/56/47/218225647.db2.gz GKOZOSRQTDWVTB-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000180014124 542260966 /nfs/dbraw/zinc/26/09/66/542260966.db2.gz DOXAAOPNLQJCMI-ZDUSSCGKSA-N 2 1 264.417 2.491 20 0 CEADMP C[N@@H+](CCCNC(=O)CCn1ccnc1)C1CCCCC1 ZINC000299647254 379089988 /nfs/dbraw/zinc/08/99/88/379089988.db2.gz WLKNXFLYCJCTML-UHFFFAOYSA-N 2 1 292.427 2.044 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000514788819 379149059 /nfs/dbraw/zinc/14/90/59/379149059.db2.gz NFXYQQQKTHCHBP-LAVFITLUSA-N 2 1 288.435 2.367 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000514788819 379149068 /nfs/dbraw/zinc/14/90/68/379149068.db2.gz NFXYQQQKTHCHBP-LAVFITLUSA-N 2 1 288.435 2.367 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000515257435 379198450 /nfs/dbraw/zinc/19/84/50/379198450.db2.gz QAYVMZCWQHJGGA-FMKPAKJESA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000515257435 379198456 /nfs/dbraw/zinc/19/84/56/379198456.db2.gz QAYVMZCWQHJGGA-FMKPAKJESA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000515257435 379198464 /nfs/dbraw/zinc/19/84/64/379198464.db2.gz QAYVMZCWQHJGGA-FMKPAKJESA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000515668992 379236081 /nfs/dbraw/zinc/23/60/81/379236081.db2.gz SUJHVTRQBUXCBP-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000515668992 379236089 /nfs/dbraw/zinc/23/60/89/379236089.db2.gz SUJHVTRQBUXCBP-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000515497026 379225108 /nfs/dbraw/zinc/22/51/08/379225108.db2.gz RGFOPQLPFBPYPK-JSGCOSHPSA-N 2 1 268.426 2.101 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000515497026 379225115 /nfs/dbraw/zinc/22/51/15/379225115.db2.gz RGFOPQLPFBPYPK-JSGCOSHPSA-N 2 1 268.426 2.101 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(C(=O)OC)c(C)o2)C1 ZINC000266600705 190269938 /nfs/dbraw/zinc/26/99/38/190269938.db2.gz CXJFOGGFJGQGKY-ZDUSSCGKSA-N 2 1 294.395 2.148 20 0 CEADMP C[C@H]1C[C@H](C)C[NH+](CCCNc2nc(N(C)C)cc[nH+]2)C1 ZINC000301715530 379297725 /nfs/dbraw/zinc/29/77/25/379297725.db2.gz GPOLYAFAGAMXJQ-KBPBESRZSA-N 2 1 291.443 2.323 20 0 CEADMP Cc1ccccc1[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000518144242 379379278 /nfs/dbraw/zinc/37/92/78/379379278.db2.gz CJQMCTPGVNYFRD-DOTOQJQBSA-N 2 1 274.408 2.368 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000302273163 379349148 /nfs/dbraw/zinc/34/91/48/379349148.db2.gz RTRDECFWTDDSIU-UKRRQHHQSA-N 2 1 254.418 2.252 20 0 CEADMP Cc1cc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000302385068 379366201 /nfs/dbraw/zinc/36/62/01/379366201.db2.gz FAJZVSDVLFGCIQ-MSOLQXFVSA-N 2 1 297.402 2.437 20 0 CEADMP c1cnn(-c2cccc(C[NH2+][C@@H]3CCc4[nH]cnc4C3)c2)c1 ZINC000520463020 379472855 /nfs/dbraw/zinc/47/28/55/379472855.db2.gz MVKHYIBBUBRRHN-CQSZACIVSA-N 2 1 293.374 2.243 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(N)=[NH2+])C1 ZINC000303265597 379491448 /nfs/dbraw/zinc/49/14/48/379491448.db2.gz VBRMARZHVZTKEY-BETUJISGSA-N 2 1 274.412 2.148 20 0 CEADMP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000520610069 379494707 /nfs/dbraw/zinc/49/47/07/379494707.db2.gz PUNHFRKEHOWVQR-ULQDDVLXSA-N 2 1 275.440 2.457 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C)o1 ZINC000521463145 379533686 /nfs/dbraw/zinc/53/36/86/379533686.db2.gz ZZRWRZWTJSKJPE-XQQFMLRXSA-N 2 1 252.358 2.135 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc2ccccc21 ZINC000304731511 379594219 /nfs/dbraw/zinc/59/42/19/379594219.db2.gz RCSJLHRSFCSDEQ-ZFWWWQNUSA-N 2 1 272.392 2.413 20 0 CEADMP CCCCOC(=O)[C@H](C)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266953117 190292818 /nfs/dbraw/zinc/29/28/18/190292818.db2.gz USZOOKVUZJRFTF-QWHCGFSZSA-N 2 1 279.384 2.321 20 0 CEADMP CC[C@@H](O)C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000305044132 379609230 /nfs/dbraw/zinc/60/92/30/379609230.db2.gz AMBUAXJKIUEWAZ-CQSZACIVSA-N 2 1 263.385 2.037 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc2c(c1)CCC2 ZINC000305151597 379662723 /nfs/dbraw/zinc/66/27/23/379662723.db2.gz UIKXMIUYHUAKQR-RDTXWAMCSA-N 2 1 288.435 2.283 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc2c(c1)CCC2 ZINC000305151591 379663089 /nfs/dbraw/zinc/66/30/89/379663089.db2.gz UIKXMIUYHUAKQR-KDOFPFPSSA-N 2 1 288.435 2.283 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccs1 ZINC000305158619 379666579 /nfs/dbraw/zinc/66/65/79/379666579.db2.gz WKLILFGIODSBEC-KBPBESRZSA-N 2 1 282.453 2.492 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1CCO ZINC000305623571 379721336 /nfs/dbraw/zinc/72/13/36/379721336.db2.gz JDCURTZAJNBCRR-OAHLLOKOSA-N 2 1 265.401 2.209 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1CCO ZINC000305623571 379721340 /nfs/dbraw/zinc/72/13/40/379721340.db2.gz JDCURTZAJNBCRR-OAHLLOKOSA-N 2 1 265.401 2.209 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000305658883 379725568 /nfs/dbraw/zinc/72/55/68/379725568.db2.gz XFIIJXVHQCWWGS-LSDHHAIUSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000305658883 379725575 /nfs/dbraw/zinc/72/55/75/379725575.db2.gz XFIIJXVHQCWWGS-LSDHHAIUSA-N 2 1 265.401 2.065 20 0 CEADMP c1c[nH]c([C@@H]2CCC[N@H+](CCc3ccccn3)C2)n1 ZINC000267453870 190332009 /nfs/dbraw/zinc/33/20/09/190332009.db2.gz SHXGSSIRPUXDTG-CYBMUJFWSA-N 2 1 256.353 2.227 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000527518394 379763932 /nfs/dbraw/zinc/76/39/32/379763932.db2.gz VWLDVXNCBIIKAI-HPUBIQBYSA-N 2 1 296.455 2.430 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CC2CCC(=O)CC2)C1 ZINC000347756193 218346213 /nfs/dbraw/zinc/34/62/13/218346213.db2.gz YUUCPLUFRTVRGE-AWEZNQCLSA-N 2 1 252.402 2.019 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCC(=O)CC2)C1 ZINC000347756193 218346216 /nfs/dbraw/zinc/34/62/16/218346216.db2.gz YUUCPLUFRTVRGE-AWEZNQCLSA-N 2 1 252.402 2.019 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2CCC(=O)CC2)C1 ZINC000347756193 218346218 /nfs/dbraw/zinc/34/62/18/218346218.db2.gz YUUCPLUFRTVRGE-AWEZNQCLSA-N 2 1 252.402 2.019 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2CCC(=O)CC2)C1 ZINC000347756193 218346220 /nfs/dbraw/zinc/34/62/20/218346220.db2.gz YUUCPLUFRTVRGE-AWEZNQCLSA-N 2 1 252.402 2.019 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cn1 ZINC000527991390 379869875 /nfs/dbraw/zinc/86/98/75/379869875.db2.gz VFUPNIKMCUAEHS-OAGGEKHMSA-N 2 1 289.423 2.095 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000528013549 379876166 /nfs/dbraw/zinc/87/61/66/379876166.db2.gz SIUWOSHEPJGUEE-TXCZRRACSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528013549 379876170 /nfs/dbraw/zinc/87/61/70/379876170.db2.gz SIUWOSHEPJGUEE-TXCZRRACSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528013549 379876178 /nfs/dbraw/zinc/87/61/78/379876178.db2.gz SIUWOSHEPJGUEE-TXCZRRACSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000528013549 379876187 /nfs/dbraw/zinc/87/61/87/379876187.db2.gz SIUWOSHEPJGUEE-TXCZRRACSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000528013549 379876190 /nfs/dbraw/zinc/87/61/90/379876190.db2.gz SIUWOSHEPJGUEE-TXCZRRACSA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)C1CC([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000488702955 380121519 /nfs/dbraw/zinc/12/15/19/380121519.db2.gz OSZHSYSXXKOMCC-UHFFFAOYSA-N 2 1 267.461 2.038 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)o1 ZINC000333803228 380150545 /nfs/dbraw/zinc/15/05/45/380150545.db2.gz YNTBUIRNBZNCJN-RBSFLKMASA-N 2 1 263.385 2.383 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(CCOCC2)CC1 ZINC000334202178 380252812 /nfs/dbraw/zinc/25/28/12/380252812.db2.gz RVVIGTMCGOGWOH-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP CC[NH+](CC)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547733015 380461817 /nfs/dbraw/zinc/46/18/17/380461817.db2.gz JRKPJGPCNLCGCT-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000548717427 380551310 /nfs/dbraw/zinc/55/13/10/380551310.db2.gz QZZVCVFVVYSHSX-UHFFFAOYSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)[NH+](C)CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548717427 380551313 /nfs/dbraw/zinc/55/13/13/380551313.db2.gz QZZVCVFVVYSHSX-UHFFFAOYSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)[NH+](C)CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548717427 380551315 /nfs/dbraw/zinc/55/13/15/380551315.db2.gz QZZVCVFVVYSHSX-UHFFFAOYSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@H](C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)NC(=O)OC(C)(C)C ZINC000492438754 380555633 /nfs/dbraw/zinc/55/56/33/380555633.db2.gz UIIYALDZQNPEDF-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)NC(=O)OC(C)(C)C ZINC000492438754 380555635 /nfs/dbraw/zinc/55/56/35/380555635.db2.gz UIIYALDZQNPEDF-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000492438754 380555639 /nfs/dbraw/zinc/55/56/39/380555639.db2.gz UIIYALDZQNPEDF-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000492438754 380555644 /nfs/dbraw/zinc/55/56/44/380555644.db2.gz UIIYALDZQNPEDF-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP CCc1oc(CNC[C@@H]2CCC[N@@H+](C)C2)cc1C(=O)OC ZINC000549801924 380610521 /nfs/dbraw/zinc/61/05/21/380610521.db2.gz NFPLXSIWZSLOOJ-LBPRGKRZSA-N 2 1 294.395 2.060 20 0 CEADMP c1ccc([C@H]2C[C@@H]2C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000552064595 380681363 /nfs/dbraw/zinc/68/13/63/380681363.db2.gz AADOIDYMERYNNW-YLFCFFPRSA-N 2 1 256.393 2.474 20 0 CEADMP c1ccc([C@H]2C[C@@H]2C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000552064595 380681371 /nfs/dbraw/zinc/68/13/71/380681371.db2.gz AADOIDYMERYNNW-YLFCFFPRSA-N 2 1 256.393 2.474 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(c2ncnc(N)c2Cl)CC1 ZINC000555813825 380849420 /nfs/dbraw/zinc/84/94/20/380849420.db2.gz UQTPZJUCLIPRGY-UHFFFAOYSA-N 2 1 297.834 2.269 20 0 CEADMP Cc1ccn2c(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cnc2c1 ZINC000334818832 207130251 /nfs/dbraw/zinc/13/02/51/207130251.db2.gz GLQBQBIFVOYMEQ-KGLIPLIRSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1ccn2c(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cnc2c1 ZINC000334818832 207130255 /nfs/dbraw/zinc/13/02/55/207130255.db2.gz GLQBQBIFVOYMEQ-KGLIPLIRSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1cccn2c(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cnc12 ZINC000334822145 207136532 /nfs/dbraw/zinc/13/65/32/207136532.db2.gz URJWQPUTNVZBCK-TZMCWYRMSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1cccn2c(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cnc12 ZINC000334822145 207136534 /nfs/dbraw/zinc/13/65/34/207136534.db2.gz URJWQPUTNVZBCK-TZMCWYRMSA-N 2 1 272.396 2.059 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000334857931 207196643 /nfs/dbraw/zinc/19/66/43/207196643.db2.gz QNNDHHZXWNJPMP-MFKMUULPSA-N 2 1 278.787 2.075 20 0 CEADMP Oc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000334866566 207212737 /nfs/dbraw/zinc/21/27/37/207212737.db2.gz AUSNWTUXECPAAI-GOEBONIOSA-N 2 1 260.381 2.356 20 0 CEADMP Oc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000334866564 207214273 /nfs/dbraw/zinc/21/42/73/207214273.db2.gz AUSNWTUXECPAAI-GDBMZVCRSA-N 2 1 260.381 2.356 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc4c[nH]nc43)C2)C1 ZINC000334915522 207286316 /nfs/dbraw/zinc/28/63/16/207286316.db2.gz QHVZNUVWSRCFOG-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc4c[nH]nc43)C2)C1 ZINC000334915522 207286318 /nfs/dbraw/zinc/28/63/18/207286318.db2.gz QHVZNUVWSRCFOG-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc4c[nH]nc43)C2)C1 ZINC000334915522 207286322 /nfs/dbraw/zinc/28/63/22/207286322.db2.gz QHVZNUVWSRCFOG-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP Cc1ccncc1CCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000289501292 197380410 /nfs/dbraw/zinc/38/04/10/197380410.db2.gz DMAPQONLMQIBEQ-HNNXBMFYSA-N 2 1 261.413 2.206 20 0 CEADMP FCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000281014170 195069319 /nfs/dbraw/zinc/06/93/19/195069319.db2.gz LQPOECGBAODTKY-BZUAXINKSA-N 2 1 262.372 2.456 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1C ZINC000335256426 208038020 /nfs/dbraw/zinc/03/80/20/208038020.db2.gz QLFJGAOJKOWCLF-IYBDPMFKSA-N 2 1 274.408 2.435 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335348846 208246185 /nfs/dbraw/zinc/24/61/85/208246185.db2.gz KYGQKOZCLGIJFP-MLGOLLRUSA-N 2 1 272.396 2.059 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1nc(C2CC2)cs1 ZINC000575794086 299569678 /nfs/dbraw/zinc/56/96/78/299569678.db2.gz HYKFQORFYZVQLD-GHMZBOCLSA-N 2 1 251.399 2.238 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289358550 197311653 /nfs/dbraw/zinc/31/16/53/197311653.db2.gz MMGQBWXRWAMWSF-JKSUJKDBSA-N 2 1 262.397 2.182 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289358550 197311654 /nfs/dbraw/zinc/31/16/54/197311654.db2.gz MMGQBWXRWAMWSF-JKSUJKDBSA-N 2 1 262.397 2.182 20 0 CEADMP Cc1cccc([C@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)c1 ZINC000289309193 197292834 /nfs/dbraw/zinc/29/28/34/197292834.db2.gz CLABHGQOHCZPJY-FUHWJXTLSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1cccc([C@H]2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)c1 ZINC000289309193 197292836 /nfs/dbraw/zinc/29/28/36/197292836.db2.gz CLABHGQOHCZPJY-FUHWJXTLSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1cccc([C@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000289309193 197292837 /nfs/dbraw/zinc/29/28/37/197292837.db2.gz CLABHGQOHCZPJY-FUHWJXTLSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1cccc([C@H]2CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000289309193 197292839 /nfs/dbraw/zinc/29/28/39/197292839.db2.gz CLABHGQOHCZPJY-FUHWJXTLSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1cccc([C@@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)c1 ZINC000289309189 197292369 /nfs/dbraw/zinc/29/23/69/197292369.db2.gz CLABHGQOHCZPJY-AEFFLSMTSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1cccc([C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)c1 ZINC000289309189 197292370 /nfs/dbraw/zinc/29/23/70/197292370.db2.gz CLABHGQOHCZPJY-AEFFLSMTSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1cccc([C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000289309189 197292372 /nfs/dbraw/zinc/29/23/72/197292372.db2.gz CLABHGQOHCZPJY-AEFFLSMTSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1cccc([C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000289309189 197292373 /nfs/dbraw/zinc/29/23/73/197292373.db2.gz CLABHGQOHCZPJY-AEFFLSMTSA-N 2 1 288.435 2.239 20 0 CEADMP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCO[C@@H](C)C2)C1 ZINC000389005622 542372370 /nfs/dbraw/zinc/37/23/70/542372370.db2.gz IZSIDXHDSOGQMH-RRFJBIMHSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCO[C@@H](C)C2)C1 ZINC000389005622 542372376 /nfs/dbraw/zinc/37/23/76/542372376.db2.gz IZSIDXHDSOGQMH-RRFJBIMHSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](CC)C1(C(=O)OC)CCC1 ZINC000353841380 220360983 /nfs/dbraw/zinc/36/09/83/220360983.db2.gz JNXSCXGANJWAEJ-KBPBESRZSA-N 2 1 284.444 2.428 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](CC)C1(C(=O)OC)CCC1 ZINC000353841380 220360986 /nfs/dbraw/zinc/36/09/86/220360986.db2.gz JNXSCXGANJWAEJ-KBPBESRZSA-N 2 1 284.444 2.428 20 0 CEADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc(C)c1O ZINC000289068313 197226859 /nfs/dbraw/zinc/22/68/59/197226859.db2.gz AYAIWLXHDFIHRT-GASCZTMLSA-N 2 1 260.381 2.002 20 0 CEADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc(C)c1O ZINC000289068313 197226860 /nfs/dbraw/zinc/22/68/60/197226860.db2.gz AYAIWLXHDFIHRT-GASCZTMLSA-N 2 1 260.381 2.002 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc(C)c1O ZINC000289068313 197226861 /nfs/dbraw/zinc/22/68/61/197226861.db2.gz AYAIWLXHDFIHRT-GASCZTMLSA-N 2 1 260.381 2.002 20 0 CEADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc(C)c1O ZINC000289068313 197226862 /nfs/dbraw/zinc/22/68/62/197226862.db2.gz AYAIWLXHDFIHRT-GASCZTMLSA-N 2 1 260.381 2.002 20 0 CEADMP CCOC(=O)C[N@H+](CCCCn1cc[nH+]c1C)C(C)C ZINC000179420637 260047767 /nfs/dbraw/zinc/04/77/67/260047767.db2.gz QARVWKGBOGINEU-UHFFFAOYSA-N 2 1 281.400 2.245 20 0 CEADMP CCOC(=O)C[N@@H+](CCCCn1cc[nH+]c1C)C(C)C ZINC000179420637 260047769 /nfs/dbraw/zinc/04/77/69/260047769.db2.gz QARVWKGBOGINEU-UHFFFAOYSA-N 2 1 281.400 2.245 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCOC)[C@@H](C)C1 ZINC000248850493 285375898 /nfs/dbraw/zinc/37/58/98/285375898.db2.gz AXDGAVLZYUZYLB-UONOGXRCSA-N 2 1 256.434 2.369 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)[C@@H](C)C1 ZINC000346471746 285385157 /nfs/dbraw/zinc/38/51/57/285385157.db2.gz BDXZPKWMEMPDPC-JJXSEGSLSA-N 2 1 295.471 2.048 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342088511 130303170 /nfs/dbraw/zinc/30/31/70/130303170.db2.gz RAWMCNONRWGMLX-BPUTZDHNSA-N 2 1 273.424 2.312 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000355432545 394451448 /nfs/dbraw/zinc/45/14/48/394451448.db2.gz KPEZEBPVTSUFMD-KKUMJFAQSA-N 2 1 283.460 2.094 20 0 CEADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000355706543 394509286 /nfs/dbraw/zinc/50/92/86/394509286.db2.gz UMUDMFNZOCDGJJ-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)COCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250560080 394563684 /nfs/dbraw/zinc/56/36/84/394563684.db2.gz HJZVCZWQNWJMEN-CABCVRRESA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](CC(C)(C)C)C1)C1CC1 ZINC000307842223 394523825 /nfs/dbraw/zinc/52/38/25/394523825.db2.gz DXJDFOMEBLFAQH-ZFWWWQNUSA-N 2 1 268.445 2.200 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](CC(C)(C)C)C1)C1CC1 ZINC000307842223 394523826 /nfs/dbraw/zinc/52/38/26/394523826.db2.gz DXJDFOMEBLFAQH-ZFWWWQNUSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](CC(C)(C)C)C1)C1CC1 ZINC000307842223 394523829 /nfs/dbraw/zinc/52/38/29/394523829.db2.gz DXJDFOMEBLFAQH-ZFWWWQNUSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](CC(C)(C)C)C1)C1CC1 ZINC000307842223 394523832 /nfs/dbraw/zinc/52/38/32/394523832.db2.gz DXJDFOMEBLFAQH-ZFWWWQNUSA-N 2 1 268.445 2.200 20 0 CEADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCCCC1 ZINC000247329007 394529067 /nfs/dbraw/zinc/52/90/67/394529067.db2.gz INTVSIKGVODNGB-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP COC[C@H](Cc1ccccc1)[N@H+](C)CCn1cc[nH+]c1C ZINC000355778365 394529808 /nfs/dbraw/zinc/52/98/08/394529808.db2.gz DNXUCIXVESNDHY-KRWDZBQOSA-N 2 1 287.407 2.381 20 0 CEADMP COC[C@H](Cc1ccccc1)[N@@H+](C)CCn1cc[nH+]c1C ZINC000355778365 394529810 /nfs/dbraw/zinc/52/98/10/394529810.db2.gz DNXUCIXVESNDHY-KRWDZBQOSA-N 2 1 287.407 2.381 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000309997665 394534521 /nfs/dbraw/zinc/53/45/21/394534521.db2.gz CFKAXIOEUZFVPL-GDBMZVCRSA-N 2 1 262.397 2.262 20 0 CEADMP COc1cc(F)cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000312275767 394541600 /nfs/dbraw/zinc/54/16/00/394541600.db2.gz PKEBCIJMMHVQGG-GFCCVEGCSA-N 2 1 278.371 2.408 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC1CCC([NH+](C)C)CC1 ZINC000422004940 394654475 /nfs/dbraw/zinc/65/44/75/394654475.db2.gz HZUGUVPYKDQSMC-QQFBHYJXSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000261529112 394601895 /nfs/dbraw/zinc/60/18/95/394601895.db2.gz PEYGLBNTGPBYKM-RNFRBKRXSA-N 2 1 263.204 2.336 20 0 CEADMP Fc1cc2cccnc2c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261653584 394605045 /nfs/dbraw/zinc/60/50/45/394605045.db2.gz JZKYLQNJTGVPNC-ZFWWWQNUSA-N 2 1 285.366 2.415 20 0 CEADMP Fc1cc2cccnc2c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261653584 394605049 /nfs/dbraw/zinc/60/50/49/394605049.db2.gz JZKYLQNJTGVPNC-ZFWWWQNUSA-N 2 1 285.366 2.415 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000356782653 394612377 /nfs/dbraw/zinc/61/23/77/394612377.db2.gz TWMVQSOCMBAXIT-GJZGRUSLSA-N 2 1 283.460 2.096 20 0 CEADMP CCC(CC)(CC)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262107278 394613915 /nfs/dbraw/zinc/61/39/15/394613915.db2.gz JWGANXNSHHDTBI-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCO1 ZINC000421864400 394620708 /nfs/dbraw/zinc/62/07/08/394620708.db2.gz XRXCSZSZTJSRRZ-QCODTGAPSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC12CCSCC2 ZINC000421890512 394629332 /nfs/dbraw/zinc/62/93/32/394629332.db2.gz VKCJQSGMKIGXFZ-MCIONIFRSA-N 2 1 268.470 2.450 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000356859690 394633160 /nfs/dbraw/zinc/63/31/60/394633160.db2.gz CJPMOQICLJNUQN-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1C)[NH+](CC)CC ZINC000266812192 394669585 /nfs/dbraw/zinc/66/95/85/394669585.db2.gz HOSORPKJDDFXTQ-UKRRQHHQSA-N 2 1 294.443 2.064 20 0 CEADMP CC(=O)Nc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422707983 394730676 /nfs/dbraw/zinc/73/06/76/394730676.db2.gz BCQNZBXWENZGNI-SUMWQHHRSA-N 2 1 289.423 2.308 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000422707057 394730868 /nfs/dbraw/zinc/73/08/68/394730868.db2.gz GNWSWHJQRSSLAD-YWPYICTPSA-N 2 1 267.392 2.144 20 0 CEADMP Cc1sc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])nc1C(C)C ZINC000422714854 394736116 /nfs/dbraw/zinc/73/61/16/394736116.db2.gz RLTCPZUZILQSGS-CYZMBNFOSA-N 2 1 297.468 2.417 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000414249219 394739502 /nfs/dbraw/zinc/73/95/02/394739502.db2.gz WXYKCMOZACCWDQ-JURCDPSOSA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000414249219 394739504 /nfs/dbraw/zinc/73/95/04/394739504.db2.gz WXYKCMOZACCWDQ-JURCDPSOSA-N 2 1 254.418 2.262 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1ccc2ccccc2c1 ZINC000357025348 394685563 /nfs/dbraw/zinc/68/55/63/394685563.db2.gz GCLZASGSXMIPAX-UHFFFAOYSA-N 2 1 258.365 2.247 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268730514 394698626 /nfs/dbraw/zinc/69/86/26/394698626.db2.gz STRJSNHBWLWQBK-USXIJHARSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268730514 394698627 /nfs/dbraw/zinc/69/86/27/394698627.db2.gz STRJSNHBWLWQBK-USXIJHARSA-N 2 1 276.424 2.400 20 0 CEADMP COCc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)o1 ZINC000268797426 394700062 /nfs/dbraw/zinc/70/00/62/394700062.db2.gz ORYMUZLZTKUDLR-LBPRGKRZSA-N 2 1 277.368 2.357 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000357656755 394702374 /nfs/dbraw/zinc/70/23/74/394702374.db2.gz MMNSSCNTZVMHIX-VNQPRFMTSA-N 2 1 290.455 2.394 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000357656755 394702381 /nfs/dbraw/zinc/70/23/81/394702381.db2.gz MMNSSCNTZVMHIX-VNQPRFMTSA-N 2 1 290.455 2.394 20 0 CEADMP Fc1ccc(F)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422733290 394746394 /nfs/dbraw/zinc/74/63/94/394746394.db2.gz AVWDKRVQDBLBEC-VNQPRFMTSA-N 2 1 296.361 2.212 20 0 CEADMP CNC(=O)C[C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000269015463 394707772 /nfs/dbraw/zinc/70/77/72/394707772.db2.gz YEZICHXBAXGHKN-GJZGRUSLSA-N 2 1 291.439 2.011 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000358141372 394709983 /nfs/dbraw/zinc/70/99/83/394709983.db2.gz NFNJIWCVSORHAT-OKILXGFUSA-N 2 1 289.423 2.138 20 0 CEADMP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC000358125973 394710096 /nfs/dbraw/zinc/71/00/96/394710096.db2.gz ZOMZBCULRSKYAJ-UGUYLWEFSA-N 2 1 268.445 2.103 20 0 CEADMP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC000358125973 394710098 /nfs/dbraw/zinc/71/00/98/394710098.db2.gz ZOMZBCULRSKYAJ-UGUYLWEFSA-N 2 1 268.445 2.103 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnc(N(C)C)s2)C[C@H]1C[NH3+] ZINC000422561329 394710795 /nfs/dbraw/zinc/71/07/95/394710795.db2.gz KQRNIZMNEZTPEG-IJLUTSLNSA-N 2 1 282.457 2.014 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc3c(c2)ncn3C)C[C@@H]1C[NH3+] ZINC000422561625 394711680 /nfs/dbraw/zinc/71/16/80/394711680.db2.gz MLPZFWQSLKEANT-IPYPFGDCSA-N 2 1 286.423 2.379 20 0 CEADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358260635 394714122 /nfs/dbraw/zinc/71/41/22/394714122.db2.gz VKZINDIUDWMVAC-HOCLYGCPSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000358260635 394714128 /nfs/dbraw/zinc/71/41/28/394714128.db2.gz VKZINDIUDWMVAC-HOCLYGCPSA-N 2 1 262.397 2.021 20 0 CEADMP C[N@@H+](CCCNC(=O)NC(C)(C)CC[NH3+])C1CCCCC1 ZINC000422588715 394715888 /nfs/dbraw/zinc/71/58/88/394715888.db2.gz HWDUNVSYUSYCEL-UHFFFAOYSA-N 2 1 298.475 2.068 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCCN(C3CCCC3)CC2)CC[NH2+]1 ZINC000334860952 394716229 /nfs/dbraw/zinc/71/62/29/394716229.db2.gz ZPPPXXLLUKXMIV-HZPDHXFCSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1C[C@H](CN2CCC[N@@H+](C3CCCC3)CC2)CC[NH2+]1 ZINC000334860952 394716233 /nfs/dbraw/zinc/71/62/33/394716233.db2.gz ZPPPXXLLUKXMIV-HZPDHXFCSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1C[C@H](CN2CCC[N@H+](C3CCCC3)CC2)CC[NH2+]1 ZINC000334860952 394716234 /nfs/dbraw/zinc/71/62/34/394716234.db2.gz ZPPPXXLLUKXMIV-HZPDHXFCSA-N 2 1 279.472 2.325 20 0 CEADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1C[C@H]1C ZINC000414145993 394716667 /nfs/dbraw/zinc/71/66/67/394716667.db2.gz MNMLWGUTUVWNSQ-ILXRZTDVSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000414691872 394747825 /nfs/dbraw/zinc/74/78/25/394747825.db2.gz BWDQGGKCOYPLHM-CABCVRRESA-N 2 1 255.450 2.166 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc2n(n1)CCC2 ZINC000414191873 394726446 /nfs/dbraw/zinc/72/64/46/394726446.db2.gz SBEGMCFNFQXIEI-KBPBESRZSA-N 2 1 276.428 2.212 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1c[nH+]ccc1N ZINC000422701005 394727012 /nfs/dbraw/zinc/72/70/12/394727012.db2.gz HUIILCJZWBDWFY-ABAIWWIYSA-N 2 1 263.385 2.086 20 0 CEADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cnn(C)c1 ZINC000414199487 394729054 /nfs/dbraw/zinc/72/90/54/394729054.db2.gz XGXRIIVCJFPTPL-HIFRSBDPSA-N 2 1 264.417 2.193 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(CO)c1 ZINC000422739280 394750789 /nfs/dbraw/zinc/75/07/89/394750789.db2.gz KYOOBAOQDITLTD-KBXCAEBGSA-N 2 1 284.403 2.227 20 0 CEADMP C[C@H]([NH3+])CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000414819641 394752035 /nfs/dbraw/zinc/75/20/35/394752035.db2.gz HZROOEQVXQJTNY-IJEWVQPXSA-N 3 1 267.461 2.356 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H](CC)Cc1ccc(OC)c(OC)c1 ZINC000414820260 394752319 /nfs/dbraw/zinc/75/23/19/394752319.db2.gz BTSOEAVUQPFMEX-AWEZNQCLSA-N 2 1 280.412 2.224 20 0 CEADMP C[C@@H](NCC[N@@H+](C)C1CCCC1)c1c[nH+]ccc1N ZINC000422744435 394754547 /nfs/dbraw/zinc/75/45/47/394754547.db2.gz SWWPULAUSGBBCI-GFCCVEGCSA-N 2 1 262.401 2.019 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000414830115 394757859 /nfs/dbraw/zinc/75/78/59/394757859.db2.gz BVGLFBFUHNARSG-GFCCVEGCSA-N 2 1 258.369 2.022 20 0 CEADMP CC[C@H](C)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000359519969 394759636 /nfs/dbraw/zinc/75/96/36/394759636.db2.gz CBPNKEMDSLNYCA-JKSUJKDBSA-N 2 1 297.487 2.297 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414838471 394763769 /nfs/dbraw/zinc/76/37/69/394763769.db2.gz IEQLODLJYCRARJ-UHFFFAOYSA-N 2 1 275.396 2.396 20 0 CEADMP C[C@@H]([NH2+]Cc1nc2ccccc2n1C)[C@H]1CCC[NH2+]C1 ZINC000414846913 394768281 /nfs/dbraw/zinc/76/82/81/394768281.db2.gz FLPYPRYFUIUEKA-OLZOCXBDSA-N 2 1 272.396 2.051 20 0 CEADMP c1c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc2ccccn12 ZINC000422767952 394769732 /nfs/dbraw/zinc/76/97/32/394769732.db2.gz NJRLUZVWTRJFHC-HRCADAONSA-N 2 1 284.407 2.345 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000414855388 394772466 /nfs/dbraw/zinc/77/24/66/394772466.db2.gz NBXRLFREXYBPPR-STQMWFEESA-N 2 1 278.396 2.182 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000414857760 394773938 /nfs/dbraw/zinc/77/39/38/394773938.db2.gz FWFSSDLCGTWFEH-UHFFFAOYSA-N 2 1 285.391 2.360 20 0 CEADMP CC1CCN(CCC[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422778470 394777734 /nfs/dbraw/zinc/77/77/34/394777734.db2.gz HOSWZCQZHJQCHY-UHFFFAOYSA-N 2 1 267.461 2.216 20 0 CEADMP Cc1ccc(O[C@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422780398 394779731 /nfs/dbraw/zinc/77/97/31/394779731.db2.gz DFCPOZKGJWAWEK-FMKPAKJESA-N 2 1 262.397 2.492 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000414961166 394826298 /nfs/dbraw/zinc/82/62/98/394826298.db2.gz RPVJWORAWSUKKY-BXUZGUMPSA-N 2 1 271.364 2.028 20 0 CEADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]CC(C)C)cc1 ZINC000414876440 394783348 /nfs/dbraw/zinc/78/33/48/394783348.db2.gz DLZWEPOUNXZHNI-HZPDHXFCSA-N 2 1 262.397 2.386 20 0 CEADMP COc1ccc(OCC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422790675 394788431 /nfs/dbraw/zinc/78/84/31/394788431.db2.gz PPUXDGTYSDHIJM-LBPRGKRZSA-N 2 1 287.363 2.232 20 0 CEADMP [NH3+]CC1CCC([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000422792353 394790218 /nfs/dbraw/zinc/79/02/18/394790218.db2.gz DMEHIPYPFJJELP-BDVYOWHSSA-N 3 1 279.472 2.358 20 0 CEADMP [NH3+]CC1CCC([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000422792353 394790223 /nfs/dbraw/zinc/79/02/23/394790223.db2.gz DMEHIPYPFJJELP-BDVYOWHSSA-N 3 1 279.472 2.358 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NCCC[N@@H+](C)Cc1ccccc1 ZINC000422792778 394790426 /nfs/dbraw/zinc/79/04/26/394790426.db2.gz WKXFNUJLRVSTSB-LSDHHAIUSA-N 2 1 263.429 2.224 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000422792778 394790428 /nfs/dbraw/zinc/79/04/28/394790428.db2.gz WKXFNUJLRVSTSB-LSDHHAIUSA-N 3 1 263.429 2.224 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000422792778 394790429 /nfs/dbraw/zinc/79/04/29/394790429.db2.gz WKXFNUJLRVSTSB-LSDHHAIUSA-N 3 1 263.429 2.224 20 0 CEADMP [NH3+]CCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414899331 394794835 /nfs/dbraw/zinc/79/48/35/394794835.db2.gz FLHYRWTWJOEHMT-OKZBNKHCSA-N 3 1 287.451 2.226 20 0 CEADMP C[C@@H](NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422800897 394795951 /nfs/dbraw/zinc/79/59/51/394795951.db2.gz DFGIUUMZDDERIQ-BPLDGKMQSA-N 2 1 281.469 2.471 20 0 CEADMP C[C@@H](NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422800902 394796038 /nfs/dbraw/zinc/79/60/38/394796038.db2.gz DFGIUUMZDDERIQ-VHDGCEQUSA-N 2 1 281.469 2.471 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414908455 394799863 /nfs/dbraw/zinc/79/98/63/394799863.db2.gz RWBSROLOCUUNEB-MRXNPFEDSA-N 2 1 284.407 2.412 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422812731 394804887 /nfs/dbraw/zinc/80/48/87/394804887.db2.gz WUABWLNEDLQZPQ-JGVFFNPUSA-N 2 1 279.331 2.174 20 0 CEADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000414926033 394806169 /nfs/dbraw/zinc/80/61/69/394806169.db2.gz JQHXSRMZIUZMPV-WDEREUQCSA-N 2 1 283.803 2.302 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC(F)(F)C[NH3+])CC1 ZINC000414932320 394809531 /nfs/dbraw/zinc/80/95/31/394809531.db2.gz RYXFDEGVOJWNGW-OCCSQVGLSA-N 2 1 289.414 2.213 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422820555 394810315 /nfs/dbraw/zinc/81/03/15/394810315.db2.gz RFRMXARZNOCFGV-GDBMZVCRSA-N 3 1 267.461 2.085 20 0 CEADMP C[N@H+](Cc1ccccc1)CC(C)(C)CNCC(F)(F)C[NH3+] ZINC000414936401 394810536 /nfs/dbraw/zinc/81/05/36/394810536.db2.gz VWSOECUUDRHCCO-UHFFFAOYSA-N 2 1 299.409 2.328 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNCC(F)(F)C[NH3+] ZINC000414936401 394810541 /nfs/dbraw/zinc/81/05/41/394810541.db2.gz VWSOECUUDRHCCO-UHFFFAOYSA-N 2 1 299.409 2.328 20 0 CEADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000414934684 394810878 /nfs/dbraw/zinc/81/08/78/394810878.db2.gz AFCLWOSHJBVQPG-OLZOCXBDSA-N 2 1 277.412 2.464 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCc3nn(C)cc32)CC1 ZINC000335922318 394812134 /nfs/dbraw/zinc/81/21/34/394812134.db2.gz VRUJRJUACDGCGN-HNNXBMFYSA-N 2 1 276.428 2.260 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414939008 394812907 /nfs/dbraw/zinc/81/29/07/394812907.db2.gz IZSOUCUOFZBFLE-UHFFFAOYSA-N 2 1 278.444 2.487 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000422825454 394813496 /nfs/dbraw/zinc/81/34/96/394813496.db2.gz AKGDJGFBFYHUCZ-QILLFSRXSA-N 2 1 287.451 2.019 20 0 CEADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C)C[NH3+] ZINC000414945326 394816532 /nfs/dbraw/zinc/81/65/32/394816532.db2.gz QBTSKVLDJDGFLJ-NEPJUHHUSA-N 2 1 297.830 2.014 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422831720 394816965 /nfs/dbraw/zinc/81/69/65/394816965.db2.gz UAMKVIOIUJGFFE-NXEZZACHSA-N 2 1 291.317 2.238 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000414950115 394819639 /nfs/dbraw/zinc/81/96/39/394819639.db2.gz FUSWWMBXKLQHBZ-DGCLKSJQSA-N 2 1 288.420 2.293 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000336561944 394864997 /nfs/dbraw/zinc/86/49/97/394864997.db2.gz YRWZSFVDAFKRBF-DLBZAZTESA-N 2 1 274.408 2.110 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000336561944 394864998 /nfs/dbraw/zinc/86/49/98/394864998.db2.gz YRWZSFVDAFKRBF-DLBZAZTESA-N 2 1 274.408 2.110 20 0 CEADMP C[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1c[nH+]ccc1N ZINC000422928850 394865571 /nfs/dbraw/zinc/86/55/71/394865571.db2.gz MZHVHEIDTXHDHG-JTQLQIEISA-N 2 1 292.770 2.272 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000422933649 394866499 /nfs/dbraw/zinc/86/64/99/394866499.db2.gz BSCWHYJHCVVODF-CHWSQXEVSA-N 2 1 299.212 2.297 20 0 CEADMP COc1ccsc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415057025 394867062 /nfs/dbraw/zinc/86/70/62/394867062.db2.gz RTULQYOZWMMOAX-ZWNOBZJWSA-N 2 1 254.399 2.173 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(C)C ZINC000363788102 394885061 /nfs/dbraw/zinc/88/50/61/394885061.db2.gz WELWMVRMKRNSRF-NXOAAHMSSA-N 2 1 298.471 2.136 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(C)C ZINC000363788102 394885066 /nfs/dbraw/zinc/88/50/66/394885066.db2.gz WELWMVRMKRNSRF-NXOAAHMSSA-N 2 1 298.471 2.136 20 0 CEADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cncc(F)c1 ZINC000423027814 394884981 /nfs/dbraw/zinc/88/49/81/394884981.db2.gz DZCSJGFVVVACNN-SRVKXCTJSA-N 2 1 251.349 2.259 20 0 CEADMP C[C@@H](CC1CCOCC1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415062264 394869750 /nfs/dbraw/zinc/86/97/50/394869750.db2.gz FCEFIHKEOKDMJL-WFASDCNBSA-N 2 1 254.418 2.299 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000422968419 394870376 /nfs/dbraw/zinc/87/03/76/394870376.db2.gz WUIPYDUBAUKARW-IHRRRGAJSA-N 2 1 265.401 2.132 20 0 CEADMP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])c1ccco1 ZINC000422972191 394871431 /nfs/dbraw/zinc/87/14/31/394871431.db2.gz KTWDZBZIKVEWAO-RBSFLKMASA-N 2 1 279.428 2.380 20 0 CEADMP C[C@H]([NH2+]CCc1ccc(O)cc1)c1c[nH+]ccc1N ZINC000422985206 394873790 /nfs/dbraw/zinc/87/37/90/394873790.db2.gz COPHRENTKKTSRZ-NSHDSACASA-N 2 1 257.337 2.093 20 0 CEADMP C[C@@]1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[NH2+]C1 ZINC000415074944 394877372 /nfs/dbraw/zinc/87/73/72/394877372.db2.gz ASLSIOLTFIRTBV-OAHLLOKOSA-N 2 1 296.798 2.200 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000415077015 394878056 /nfs/dbraw/zinc/87/80/56/394878056.db2.gz DLUSLICXGLHIPE-CQSZACIVSA-N 2 1 290.386 2.474 20 0 CEADMP C[C@@H]([NH2+]C[C@](C)(CO)Cc1ccccc1)c1c[nH+]ccc1N ZINC000423083542 394885673 /nfs/dbraw/zinc/88/56/73/394885673.db2.gz YVZIRFJGMWXIOU-RDTXWAMCSA-N 2 1 299.418 2.386 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423012131 394881452 /nfs/dbraw/zinc/88/14/52/394881452.db2.gz JZLBINRWWTUJFS-QSPRXWTASA-N 2 1 273.424 2.162 20 0 CEADMP C[C@H](CN[C@@H](C)c1cnccc1N)[N@@H+]1CCCC[C@@H]1C ZINC000422852720 394829325 /nfs/dbraw/zinc/82/93/25/394829325.db2.gz BBGPHBFDWKEVOO-MJBXVCDLSA-N 2 1 276.428 2.408 20 0 CEADMP Cc1ccc(OCCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422854136 394830449 /nfs/dbraw/zinc/83/04/49/394830449.db2.gz AGAKPYPWZBIMEC-ZBFHGGJFSA-N 2 1 262.397 2.352 20 0 CEADMP CCOCCOCc1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000422859468 394834057 /nfs/dbraw/zinc/83/40/57/394834057.db2.gz KCEAGRZLUJTVQE-SJORKVTESA-N 2 1 292.423 2.209 20 0 CEADMP C[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000422861181 394835054 /nfs/dbraw/zinc/83/50/54/394835054.db2.gz MMVNLHWLZUPVGT-LVQVYYBASA-N 3 1 267.461 2.356 20 0 CEADMP C[C@H](CN[C@H](C)c1c[nH+]ccc1N)[N@H+]1CCC[C@@H](C)C1 ZINC000422868749 394839104 /nfs/dbraw/zinc/83/91/04/394839104.db2.gz VUWNCASBNRUTJN-MGPQQGTHSA-N 2 1 276.428 2.265 20 0 CEADMP C[C@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000422869525 394840660 /nfs/dbraw/zinc/84/06/60/394840660.db2.gz ANDOWDMPCNAKQW-FZCLSBEQSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@@H](N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422877631 394844842 /nfs/dbraw/zinc/84/48/42/394844842.db2.gz IJNQPYNPUPKDOD-ZVDSWSACSA-N 2 1 267.461 2.083 20 0 CEADMP CCCOc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1OC ZINC000415005621 394845636 /nfs/dbraw/zinc/84/56/36/394845636.db2.gz JGKKPHWTXXMMHR-RYUDHWBXSA-N 2 1 266.385 2.309 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)[C@H](C)[NH3+] ZINC000415008884 394847239 /nfs/dbraw/zinc/84/72/39/394847239.db2.gz NGISKZWUZBQBFV-ZENOOKHLSA-N 2 1 278.396 2.070 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000126783113 394848736 /nfs/dbraw/zinc/84/87/36/394848736.db2.gz XXDMSZRCSYLMKM-GDBMZVCRSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422886783 394850012 /nfs/dbraw/zinc/85/00/12/394850012.db2.gz XRGGTYDDGZZYGC-IKGGRYGDSA-N 3 1 281.488 2.476 20 0 CEADMP Cc1nc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)sc1C ZINC000422886923 394850052 /nfs/dbraw/zinc/85/00/52/394850052.db2.gz AALQKLSETFPVKT-AAEUAGOBSA-N 2 1 267.442 2.423 20 0 CEADMP CC(C)COc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415019973 394851605 /nfs/dbraw/zinc/85/16/05/394851605.db2.gz ALQGBSUHYZNEQA-ZSHCYNCHSA-N 2 1 260.381 2.029 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000415024109 394852570 /nfs/dbraw/zinc/85/25/70/394852570.db2.gz MVYXACVJYSSGEC-JOCQHMNTSA-N 3 1 296.484 2.059 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422897926 394855918 /nfs/dbraw/zinc/85/59/18/394855918.db2.gz KSZLYTORNXXJPI-HUUCEWRRSA-N 2 1 274.412 2.041 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422902869 394855933 /nfs/dbraw/zinc/85/59/33/394855933.db2.gz DVAVUNHLERXRFX-BZUAXINKSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422906136 394857170 /nfs/dbraw/zinc/85/71/70/394857170.db2.gz JFQQJUVEBPQEPL-SOUVJXGZSA-N 2 1 263.429 2.222 20 0 CEADMP C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422906136 394857174 /nfs/dbraw/zinc/85/71/74/394857174.db2.gz JFQQJUVEBPQEPL-SOUVJXGZSA-N 2 1 263.429 2.222 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422906835 394858609 /nfs/dbraw/zinc/85/86/09/394858609.db2.gz KLPQNFPVPRNBEM-ILXRZTDVSA-N 2 1 253.434 2.110 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422906835 394858612 /nfs/dbraw/zinc/85/86/12/394858612.db2.gz KLPQNFPVPRNBEM-ILXRZTDVSA-N 2 1 253.434 2.110 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415041628 394860322 /nfs/dbraw/zinc/86/03/22/394860322.db2.gz LNFDZDXRVLHEED-RHSMWYFYSA-N 2 1 289.423 2.363 20 0 CEADMP COc1cc(C)nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415041628 394860324 /nfs/dbraw/zinc/86/03/24/394860324.db2.gz LNFDZDXRVLHEED-RHSMWYFYSA-N 2 1 289.423 2.363 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415041628 394860326 /nfs/dbraw/zinc/86/03/26/394860326.db2.gz LNFDZDXRVLHEED-RHSMWYFYSA-N 2 1 289.423 2.363 20 0 CEADMP C([C@@H]1CCSC1)[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415041272 394860941 /nfs/dbraw/zinc/86/09/41/394860941.db2.gz LHCRVAWMCJGDDS-MELADBBJSA-N 2 1 254.443 2.204 20 0 CEADMP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000129217414 394860920 /nfs/dbraw/zinc/86/09/20/394860920.db2.gz PSCRLVUAZGCKAO-HNNXBMFYSA-N 2 1 276.428 2.477 20 0 CEADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000129217414 394860924 /nfs/dbraw/zinc/86/09/24/394860924.db2.gz PSCRLVUAZGCKAO-HNNXBMFYSA-N 2 1 276.428 2.477 20 0 CEADMP COc1cccc(OCCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422915316 394861058 /nfs/dbraw/zinc/86/10/58/394861058.db2.gz ATLXADZTELAZJR-CJNGLKHVSA-N 2 1 278.396 2.052 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C12CCCCC2 ZINC000422916637 394862091 /nfs/dbraw/zinc/86/20/91/394862091.db2.gz BEDNBIOIAWJAED-MGPQQGTHSA-N 2 1 252.402 2.066 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(C)n1 ZINC000423336406 394890161 /nfs/dbraw/zinc/89/01/61/394890161.db2.gz SOTFQNLFXPBERT-NHYWBVRUSA-N 2 1 262.401 2.134 20 0 CEADMP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)OCCO2 ZINC000423339931 394890694 /nfs/dbraw/zinc/89/06/94/394890694.db2.gz XDAUHUBOIXXEOR-ZDUSSCGKSA-N 2 1 276.380 2.380 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000337402616 394891828 /nfs/dbraw/zinc/89/18/28/394891828.db2.gz RVLXSOPIYMOMOP-KFWWJZLASA-N 2 1 254.418 2.123 20 0 CEADMP c1cncc([C@H]2CCC[C@@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)c1 ZINC000423358446 394900163 /nfs/dbraw/zinc/90/01/63/394900163.db2.gz NGMHYARZAVARAN-NUEKZKHPSA-N 2 1 259.397 2.449 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000423360235 394900229 /nfs/dbraw/zinc/90/02/29/394900229.db2.gz QCHUOKXVBCYTQD-CMPLNLGQSA-N 2 1 282.409 2.327 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)cn1 ZINC000423363867 394901171 /nfs/dbraw/zinc/90/11/71/394901171.db2.gz CAMMXYIOMGGDQX-JBLDHEPKSA-N 2 1 253.777 2.384 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000423377723 394907305 /nfs/dbraw/zinc/90/73/05/394907305.db2.gz KGZTWXYKRGFEPJ-HZSPNIEDSA-N 2 1 256.434 2.414 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2[NH2+]CCCC2(C)C)[C@@H]1C ZINC000423385897 394909138 /nfs/dbraw/zinc/90/91/38/394909138.db2.gz KZGBUTPYYVVAKO-CBBWQLFWSA-N 2 1 296.455 2.332 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423397575 394914512 /nfs/dbraw/zinc/91/45/12/394914512.db2.gz TXWRRRKYSNXTPX-IIYDPXPESA-N 3 1 273.424 2.108 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000423397575 394914515 /nfs/dbraw/zinc/91/45/15/394914515.db2.gz TXWRRRKYSNXTPX-IIYDPXPESA-N 2 1 273.424 2.108 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000423397575 394914519 /nfs/dbraw/zinc/91/45/19/394914519.db2.gz TXWRRRKYSNXTPX-IIYDPXPESA-N 2 1 273.424 2.108 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1O ZINC000423409996 394917132 /nfs/dbraw/zinc/91/71/32/394917132.db2.gz ZJYBRSQBIFODTI-GMXVVIOVSA-N 2 1 264.369 2.049 20 0 CEADMP C[C@H](CCO)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000365221456 394921342 /nfs/dbraw/zinc/92/13/42/394921342.db2.gz PISZSRVIDHJIBT-WZYMTQMTSA-N 2 1 280.456 2.390 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000423442299 394922059 /nfs/dbraw/zinc/92/20/59/394922059.db2.gz BOAZBYUYIUIWAN-RYUDHWBXSA-N 2 1 266.385 2.400 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(C)c1 ZINC000423490076 394934667 /nfs/dbraw/zinc/93/46/67/394934667.db2.gz HMDTYYQMLNTJTF-CVEARBPZSA-N 2 1 262.397 2.414 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c(C)c1 ZINC000423493454 394935217 /nfs/dbraw/zinc/93/52/17/394935217.db2.gz QCAAZHLHVWUUAP-DZGCQCFKSA-N 2 1 278.396 2.033 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(F)cc1 ZINC000423498769 394936368 /nfs/dbraw/zinc/93/63/68/394936368.db2.gz CBEUIRCZTPGZBT-HUUCEWRRSA-N 2 1 266.360 2.245 20 0 CEADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423522738 394943595 /nfs/dbraw/zinc/94/35/95/394943595.db2.gz ROWIYDVDMMPJDV-CZUORRHYSA-N 2 1 278.396 2.114 20 0 CEADMP c1ccc(C[C@@H]([NH2+]CCC[NH2+]C2CC2)c2cccnc2)nc1 ZINC000423533803 394946932 /nfs/dbraw/zinc/94/69/32/394946932.db2.gz YSAGODONZSARSJ-GOSISDBHSA-N 2 1 296.418 2.492 20 0 CEADMP C[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340249226 394981594 /nfs/dbraw/zinc/98/15/94/394981594.db2.gz FIHHBCQALOMCKN-PVAVHDDUSA-N 2 1 276.424 2.430 20 0 CEADMP C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340249226 394981598 /nfs/dbraw/zinc/98/15/98/394981598.db2.gz FIHHBCQALOMCKN-PVAVHDDUSA-N 2 1 276.424 2.430 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000423778916 394982186 /nfs/dbraw/zinc/98/21/86/394982186.db2.gz UNTYRUMUROCCKD-SQWLQELKSA-N 2 1 283.460 2.131 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000340284422 394983160 /nfs/dbraw/zinc/98/31/60/394983160.db2.gz UVUMVTYLPLSKEU-HZPDHXFCSA-N 2 1 267.461 2.275 20 0 CEADMP [NH3+]C1(C(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)CCCC1 ZINC000371263909 395027207 /nfs/dbraw/zinc/02/72/07/395027207.db2.gz FVTMNSBWVCADIM-CQSZACIVSA-N 2 1 293.455 2.171 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000423790193 394987997 /nfs/dbraw/zinc/98/79/97/394987997.db2.gz ZKXPBMNQBQTGGI-WQVCFCJDSA-N 2 1 287.407 2.015 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415973231 394989609 /nfs/dbraw/zinc/98/96/09/394989609.db2.gz OCRQLQOMSNPQQM-UHFFFAOYSA-N 2 1 292.427 2.259 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000152379233 394995404 /nfs/dbraw/zinc/99/54/04/394995404.db2.gz DLZIAVFBTHKXNB-ZHCJQAHYSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000152379233 394995407 /nfs/dbraw/zinc/99/54/07/394995407.db2.gz DLZIAVFBTHKXNB-ZHCJQAHYSA-N 2 1 281.488 2.425 20 0 CEADMP CCCCOC[C@@H](O)C[N@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000370507857 395008493 /nfs/dbraw/zinc/00/84/93/395008493.db2.gz LZBSXEULSLLZKB-KRWDZBQOSA-N 2 1 298.471 2.113 20 0 CEADMP CCCCOC[C@@H](O)C[N@@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000370507857 395008498 /nfs/dbraw/zinc/00/84/98/395008498.db2.gz LZBSXEULSLLZKB-KRWDZBQOSA-N 2 1 298.471 2.113 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2CCC3(CC2)OCCO3)CC1 ZINC000370697163 395011021 /nfs/dbraw/zinc/01/10/21/395011021.db2.gz JTUCRTHBVIRQQC-INIZCTEOSA-N 2 1 296.455 2.336 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCOCC(F)(F)F)C2)C1 ZINC000339429327 394959173 /nfs/dbraw/zinc/95/91/73/394959173.db2.gz SNGXGZFSBZPLPX-CYBMUJFWSA-N 2 1 294.361 2.373 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCOCC(F)(F)F)C2)C1 ZINC000339429327 394959176 /nfs/dbraw/zinc/95/91/76/394959176.db2.gz SNGXGZFSBZPLPX-CYBMUJFWSA-N 2 1 294.361 2.373 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCOCC(F)(F)F)C2)C1 ZINC000339429327 394959181 /nfs/dbraw/zinc/95/91/81/394959181.db2.gz SNGXGZFSBZPLPX-CYBMUJFWSA-N 2 1 294.361 2.373 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000151778400 394978647 /nfs/dbraw/zinc/97/86/47/394978647.db2.gz OFGMTCYYUANOCT-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340195820 394980131 /nfs/dbraw/zinc/98/01/31/394980131.db2.gz HIPMDBLOFXZTBZ-IAGOWNOFSA-N 2 1 275.440 2.363 20 0 CEADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340195820 394980133 /nfs/dbraw/zinc/98/01/33/394980133.db2.gz HIPMDBLOFXZTBZ-IAGOWNOFSA-N 2 1 275.440 2.363 20 0 CEADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340195820 394980136 /nfs/dbraw/zinc/98/01/36/394980136.db2.gz HIPMDBLOFXZTBZ-IAGOWNOFSA-N 2 1 275.440 2.363 20 0 CEADMP CO[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(F)(F)F ZINC000345441480 395066778 /nfs/dbraw/zinc/06/67/78/395066778.db2.gz BBWLHDWECNADEB-GMTAPVOTSA-N 2 1 268.323 2.026 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(CC[C@@H]2CCC[NH+]2C)C1 ZINC000162081391 395070358 /nfs/dbraw/zinc/07/03/58/395070358.db2.gz JZSHVRXIXMMDRM-CVEARBPZSA-N 3 1 267.461 2.134 20 0 CEADMP CCC[NH+](C)C[C@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000162081391 395070359 /nfs/dbraw/zinc/07/03/59/395070359.db2.gz JZSHVRXIXMMDRM-CVEARBPZSA-N 3 1 267.461 2.134 20 0 CEADMP CCC[NH+](C)C[C@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000162081391 395070363 /nfs/dbraw/zinc/07/03/63/395070363.db2.gz JZSHVRXIXMMDRM-CVEARBPZSA-N 3 1 267.461 2.134 20 0 CEADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+]1CCCCC1 ZINC000426784685 395079945 /nfs/dbraw/zinc/07/99/45/395079945.db2.gz NHLOSXGVWHNJQY-HOTGVXAUSA-N 2 1 297.487 2.342 20 0 CEADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1n1ccnc1 ZINC000163279131 395083114 /nfs/dbraw/zinc/08/31/14/395083114.db2.gz AKXPWNODMFHLED-PMPSAXMXSA-N 2 1 276.428 2.250 20 0 CEADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnc1 ZINC000163279131 395083120 /nfs/dbraw/zinc/08/31/20/395083120.db2.gz AKXPWNODMFHLED-PMPSAXMXSA-N 3 1 276.428 2.250 20 0 CEADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnc1 ZINC000163279131 395083123 /nfs/dbraw/zinc/08/31/23/395083123.db2.gz AKXPWNODMFHLED-PMPSAXMXSA-N 3 1 276.428 2.250 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC(=O)OC(C)(C)C ZINC000163571562 395084449 /nfs/dbraw/zinc/08/44/49/395084449.db2.gz WIDWDIAVBQYNAH-UPJWGTAASA-N 2 1 270.417 2.037 20 0 CEADMP CCC(CC)(C[NH2+]CC[C@H]1CCCC[N@H+]1C)C(=O)OC ZINC000343491395 395040408 /nfs/dbraw/zinc/04/04/08/395040408.db2.gz FRWNDTFSUWMTMC-CQSZACIVSA-N 2 1 284.444 2.430 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cccc3c2OCCCO3)CC[C@@H]1[NH3+] ZINC000347060438 395119266 /nfs/dbraw/zinc/11/92/66/395119266.db2.gz YBNYASGJYSYTIU-OCCSQVGLSA-N 2 1 276.380 2.017 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2OCCCO3)CC[C@@H]1[NH3+] ZINC000347060438 395119270 /nfs/dbraw/zinc/11/92/70/395119270.db2.gz YBNYASGJYSYTIU-OCCSQVGLSA-N 2 1 276.380 2.017 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C)CCN1CCC[NH+]1CCCCC1 ZINC000436484688 395120820 /nfs/dbraw/zinc/12/08/20/395120820.db2.gz NKCCOHZVLKAUCK-INIZCTEOSA-N 2 1 267.461 2.134 20 0 CEADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC[C@H]1CCC[N@H+]1C ZINC000347338821 395121922 /nfs/dbraw/zinc/12/19/22/395121922.db2.gz BVLDSRFKLDHCSW-OAGGEKHMSA-N 2 1 265.445 2.029 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCn3cc(C)nc32)[C@H](C)C1 ZINC000347416450 395122930 /nfs/dbraw/zinc/12/29/30/395122930.db2.gz IOKYDIRFYXVNKO-KBMXLJTQSA-N 2 1 290.455 2.389 20 0 CEADMP CC(C)c1ccc(CC[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000347531453 395125591 /nfs/dbraw/zinc/12/55/91/395125591.db2.gz WGLXWVXEJYRRJV-QGZVFWFLSA-N 2 1 276.424 2.009 20 0 CEADMP CC(C)c1ccc(CC[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000347531453 395125594 /nfs/dbraw/zinc/12/55/94/395125594.db2.gz WGLXWVXEJYRRJV-QGZVFWFLSA-N 2 1 276.424 2.009 20 0 CEADMP C[NH+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436279354 395105103 /nfs/dbraw/zinc/10/51/03/395105103.db2.gz HPEHGACIZZNTPV-UHFFFAOYSA-N 2 1 264.398 2.180 20 0 CEADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346824281 395108414 /nfs/dbraw/zinc/10/84/14/395108414.db2.gz OSIAJXRUHAAEMM-OWCLPIDISA-N 2 1 295.471 2.003 20 0 CEADMP COCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377328346 395136344 /nfs/dbraw/zinc/13/63/44/395136344.db2.gz BJTIOQUQZDYDKV-QZTJIDSGSA-N 2 1 288.435 2.477 20 0 CEADMP COCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377328346 395136349 /nfs/dbraw/zinc/13/63/49/395136349.db2.gz BJTIOQUQZDYDKV-QZTJIDSGSA-N 2 1 288.435 2.477 20 0 CEADMP COCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377328346 395136353 /nfs/dbraw/zinc/13/63/53/395136353.db2.gz BJTIOQUQZDYDKV-QZTJIDSGSA-N 2 1 288.435 2.477 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000379190174 395161761 /nfs/dbraw/zinc/16/17/61/395161761.db2.gz IKRLJFBKZRECQG-NUEKZKHPSA-N 2 1 262.397 2.291 20 0 CEADMP CCn1cncc1CN[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000417868880 395152827 /nfs/dbraw/zinc/15/28/27/395152827.db2.gz GUVXNBZJEILGCJ-KBPBESRZSA-N 2 1 264.417 2.113 20 0 CEADMP CCn1cncc1C[NH2+][C@@H](C)CN1CCC[C@H](C)C1 ZINC000417868880 395152830 /nfs/dbraw/zinc/15/28/30/395152830.db2.gz GUVXNBZJEILGCJ-KBPBESRZSA-N 2 1 264.417 2.113 20 0 CEADMP CO[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000178456940 395167099 /nfs/dbraw/zinc/16/70/99/395167099.db2.gz RGQJKTOYRVWJMT-IMJJTQAJSA-N 2 1 262.397 2.446 20 0 CEADMP COCc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000382553010 395182372 /nfs/dbraw/zinc/18/23/72/395182372.db2.gz WGGMQWGLISKIMI-BBRMVZONSA-N 2 1 278.396 2.390 20 0 CEADMP COCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000382553010 395182377 /nfs/dbraw/zinc/18/23/77/395182377.db2.gz WGGMQWGLISKIMI-BBRMVZONSA-N 2 1 278.396 2.390 20 0 CEADMP CC(C)CC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351530608 395226847 /nfs/dbraw/zinc/22/68/47/395226847.db2.gz BNWZSYPGZZFWEU-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351530608 395226850 /nfs/dbraw/zinc/22/68/50/395226850.db2.gz BNWZSYPGZZFWEU-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)CC[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351530608 395226852 /nfs/dbraw/zinc/22/68/52/395226852.db2.gz BNWZSYPGZZFWEU-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)CC[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351530608 395226856 /nfs/dbraw/zinc/22/68/56/395226856.db2.gz BNWZSYPGZZFWEU-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP CCC(C)(C)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351712806 395230531 /nfs/dbraw/zinc/23/05/31/395230531.db2.gz RGKZEQBOBIFLOU-LSDHHAIUSA-N 2 1 268.445 2.342 20 0 CEADMP CCC(C)(C)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351712806 395230534 /nfs/dbraw/zinc/23/05/34/395230534.db2.gz RGKZEQBOBIFLOU-LSDHHAIUSA-N 2 1 268.445 2.342 20 0 CEADMP CCC(C)(C)[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351712806 395230539 /nfs/dbraw/zinc/23/05/39/395230539.db2.gz RGKZEQBOBIFLOU-LSDHHAIUSA-N 2 1 268.445 2.342 20 0 CEADMP CCC(C)(C)[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351712806 395230545 /nfs/dbraw/zinc/23/05/45/395230545.db2.gz RGKZEQBOBIFLOU-LSDHHAIUSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000520219780 395238210 /nfs/dbraw/zinc/23/82/10/395238210.db2.gz LKTSSNKCZXQRKM-HDEZJCGLSA-N 2 1 276.424 2.223 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000352157175 395246449 /nfs/dbraw/zinc/24/64/49/395246449.db2.gz SJRCMQZTOFHVED-PMPSAXMXSA-N 2 1 297.487 2.390 20 0 CEADMP CCn1cncc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000418060399 395188007 /nfs/dbraw/zinc/18/80/07/395188007.db2.gz BNTOTSGZZIKAPH-HNNXBMFYSA-N 2 1 276.428 2.067 20 0 CEADMP Oc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000433032401 395192064 /nfs/dbraw/zinc/19/20/64/395192064.db2.gz LWGOJVMBNVFKLY-RBSFLKMASA-N 2 1 272.392 2.076 20 0 CEADMP OCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC2(CCC2)C1 ZINC000433058194 395194375 /nfs/dbraw/zinc/19/43/75/395194375.db2.gz JZWRDCAKVIWXGZ-GJZGRUSLSA-N 2 1 278.440 2.146 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)CC[N@H+]1C ZINC000433098170 395197607 /nfs/dbraw/zinc/19/76/07/395197607.db2.gz SFRQZTKKOXVUHD-KBPBESRZSA-N 2 1 266.429 2.002 20 0 CEADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CC[C@@H]1CCOC1 ZINC000438181642 395209722 /nfs/dbraw/zinc/20/97/22/395209722.db2.gz VGVCOVODYMNNDY-CABCVRRESA-N 2 1 254.418 2.267 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]CC[C@@H]1CCOC1 ZINC000438181642 395209724 /nfs/dbraw/zinc/20/97/24/395209724.db2.gz VGVCOVODYMNNDY-CABCVRRESA-N 2 1 254.418 2.267 20 0 CEADMP CCC[N@@H+](CCc1cccs1)C[C@H](O)CN(C)CC ZINC000519704444 395211300 /nfs/dbraw/zinc/21/13/00/395211300.db2.gz MCRQGCFQRPEOIC-CQSZACIVSA-N 2 1 284.469 2.315 20 0 CEADMP CCC[NH+](CCc1cccs1)C[C@H](O)C[N@H+](C)CC ZINC000519704444 395211310 /nfs/dbraw/zinc/21/13/10/395211310.db2.gz MCRQGCFQRPEOIC-CQSZACIVSA-N 2 1 284.469 2.315 20 0 CEADMP CCC[NH+](CCc1cccs1)C[C@H](O)C[N@@H+](C)CC ZINC000519704444 395211313 /nfs/dbraw/zinc/21/13/13/395211313.db2.gz MCRQGCFQRPEOIC-CQSZACIVSA-N 2 1 284.469 2.315 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2[C@H](C)CCC[C@H]2C)C[C@H]1C[NH3+] ZINC000397316576 395223249 /nfs/dbraw/zinc/22/32/49/395223249.db2.gz RFSJCGIMVZAYIL-DGXTUMSLSA-N 2 1 295.471 2.081 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2[C@H](C)CCC[C@H]2C)C[C@H]1C[NH3+] ZINC000397316576 395223251 /nfs/dbraw/zinc/22/32/51/395223251.db2.gz RFSJCGIMVZAYIL-DGXTUMSLSA-N 2 1 295.471 2.081 20 0 CEADMP CCCCOCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352924235 395278258 /nfs/dbraw/zinc/27/82/58/395278258.db2.gz YCZMJFQDFWXVEI-YIONKMFJSA-N 2 1 254.418 2.360 20 0 CEADMP CCCCOCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352924235 395278266 /nfs/dbraw/zinc/27/82/66/395278266.db2.gz YCZMJFQDFWXVEI-YIONKMFJSA-N 2 1 254.418 2.360 20 0 CEADMP CCCCOCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352924235 395278270 /nfs/dbraw/zinc/27/82/70/395278270.db2.gz YCZMJFQDFWXVEI-YIONKMFJSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1CC[N@H+](CCC(=O)NCC2CCCCC2)[C@H](C[NH3+])C1 ZINC000420323814 395325684 /nfs/dbraw/zinc/32/56/84/395325684.db2.gz ABEYELBMZRTCIU-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1CC[N@@H+](CCC(=O)NCC2CCCCC2)[C@H](C[NH3+])C1 ZINC000420323814 395325687 /nfs/dbraw/zinc/32/56/87/395325687.db2.gz ABEYELBMZRTCIU-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CCN1CC[NH2+]CC1 ZINC000420323380 395326129 /nfs/dbraw/zinc/32/61/29/395326129.db2.gz TYXLIXIMDOZAPL-KRWDZBQOSA-N 2 1 275.440 2.365 20 0 CEADMP C[C@](C[NH3+])([NH2+]Cc1cnc2ccccc2c1)C1CC1 ZINC000420292597 395299144 /nfs/dbraw/zinc/29/91/44/395299144.db2.gz PQGAOTMWBAUOBV-MRXNPFEDSA-N 2 1 255.365 2.452 20 0 CEADMP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420323771 395326297 /nfs/dbraw/zinc/32/62/97/395326297.db2.gz UWAUKVZUWVLFGJ-GJZGRUSLSA-N 2 1 276.428 2.173 20 0 CEADMP Cc1ccc([C@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)s1 ZINC000420294148 395301135 /nfs/dbraw/zinc/30/11/35/395301135.db2.gz AROXEJCDDHIRCS-CQSZACIVSA-N 2 1 279.453 2.099 20 0 CEADMP C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420299246 395303796 /nfs/dbraw/zinc/30/37/96/395303796.db2.gz IMVBVTLIMDXBCE-INMHGKMJSA-N 2 1 274.408 2.448 20 0 CEADMP Clc1ccccc1[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420302201 395307654 /nfs/dbraw/zinc/30/76/54/395307654.db2.gz JHBVMWYJJFUFMI-MRXNPFEDSA-N 2 1 293.842 2.382 20 0 CEADMP Fc1ccc([C@H]2CCCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420304982 395309503 /nfs/dbraw/zinc/30/95/03/395309503.db2.gz PCIFFLRUWUUNQF-QGZVFWFLSA-N 2 1 291.414 2.258 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420305889 395310968 /nfs/dbraw/zinc/31/09/68/395310968.db2.gz KPGCYVSXPINXOA-VNHYZAJKSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420305889 395310971 /nfs/dbraw/zinc/31/09/71/395310971.db2.gz KPGCYVSXPINXOA-VNHYZAJKSA-N 2 1 289.423 2.245 20 0 CEADMP Fc1cc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000420306803 395310980 /nfs/dbraw/zinc/31/09/80/395310980.db2.gz BMARARDJMWNCRT-RYUDHWBXSA-N 2 1 298.789 2.399 20 0 CEADMP Fc1cc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000420306803 395310983 /nfs/dbraw/zinc/31/09/83/395310983.db2.gz BMARARDJMWNCRT-RYUDHWBXSA-N 2 1 298.789 2.399 20 0 CEADMP CC[C@@H]1CC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420306007 395311132 /nfs/dbraw/zinc/31/11/32/395311132.db2.gz QFTYVZNKAFHIDU-UKRRQHHQSA-N 2 1 262.397 2.469 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000420307511 395311523 /nfs/dbraw/zinc/31/15/23/395311523.db2.gz ITGHOIYOUGLGSM-GFCCVEGCSA-N 2 1 278.400 2.288 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000420307511 395311527 /nfs/dbraw/zinc/31/15/27/395311527.db2.gz ITGHOIYOUGLGSM-GFCCVEGCSA-N 2 1 278.400 2.288 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420308631 395312277 /nfs/dbraw/zinc/31/22/77/395312277.db2.gz DBMQYAQZOQZRST-OAHLLOKOSA-N 3 1 267.461 2.182 20 0 CEADMP CCCN1CCC([N@H+](C)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420308631 395312280 /nfs/dbraw/zinc/31/22/80/395312280.db2.gz DBMQYAQZOQZRST-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP CCCN1CCC([N@@H+](C)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420308631 395312287 /nfs/dbraw/zinc/31/22/87/395312287.db2.gz DBMQYAQZOQZRST-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP Cc1cnn([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000420308499 395312861 /nfs/dbraw/zinc/31/28/61/395312861.db2.gz CUCFYBDESWQUMW-JKSUJKDBSA-N 2 1 276.428 2.218 20 0 CEADMP CC(C)(C)CCN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420309789 395315367 /nfs/dbraw/zinc/31/53/67/395315367.db2.gz FGXAAPSNEPETSI-HNNXBMFYSA-N 2 1 267.461 2.040 20 0 CEADMP C(C[N@@H+](C[C@@H]1CCCO1)C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000420311900 395315382 /nfs/dbraw/zinc/31/53/82/395315382.db2.gz WGBUUGSXKNHWHL-HOCLYGCPSA-N 2 1 266.429 2.410 20 0 CEADMP CCc1nccn1[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420313378 395316227 /nfs/dbraw/zinc/31/62/27/395316227.db2.gz JAFVZEFDFSWUIU-HOTGVXAUSA-N 3 1 290.455 2.472 20 0 CEADMP c1ccc([C@@H]2COCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420314058 395317958 /nfs/dbraw/zinc/31/79/58/395317958.db2.gz YNNSGJAKBIBPEG-HOCLYGCPSA-N 2 1 260.381 2.060 20 0 CEADMP Fc1ccc([C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420318768 395322510 /nfs/dbraw/zinc/32/25/10/395322510.db2.gz OVVMUXTWVFWRQM-CJNGLKHVSA-N 2 1 278.371 2.199 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000420319488 395322609 /nfs/dbraw/zinc/32/26/09/395322609.db2.gz PPVFBSJEMWAJOG-CABCVRRESA-N 2 1 290.407 2.148 20 0 CEADMP FC(F)(F)CCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420318141 395322646 /nfs/dbraw/zinc/32/26/46/395322646.db2.gz PQAZGASIRVITPI-GHMZBOCLSA-N 2 1 250.308 2.403 20 0 CEADMP FC(F)(F)CCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420318141 395322650 /nfs/dbraw/zinc/32/26/50/395322650.db2.gz PQAZGASIRVITPI-GHMZBOCLSA-N 2 1 250.308 2.403 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000419234679 395254872 /nfs/dbraw/zinc/25/48/72/395254872.db2.gz IGBBQJOYWMTRBI-WCXIOVBPSA-N 2 1 298.471 2.231 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000401879826 395263688 /nfs/dbraw/zinc/26/36/88/395263688.db2.gz NNFBQMLMTDWEHI-YOEHRIQHSA-N 2 1 274.408 2.418 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000401890572 395265347 /nfs/dbraw/zinc/26/53/47/395265347.db2.gz SETYWZCDUAJJAS-HYVNUMGLSA-N 2 1 274.408 2.276 20 0 CEADMP COc1ccc2c(c1)OCC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000420371065 395356666 /nfs/dbraw/zinc/35/66/66/395356666.db2.gz KBURQAWTNWRKAG-UHFFFAOYSA-N 2 1 290.407 2.279 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420381204 395365474 /nfs/dbraw/zinc/36/54/74/395365474.db2.gz CKLFPUDIQIQWTD-KGLIPLIRSA-N 2 1 279.453 2.458 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420399291 395371452 /nfs/dbraw/zinc/37/14/52/395371452.db2.gz NSDVCLMHOCFGQQ-JKSUJKDBSA-N 2 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420399291 395371453 /nfs/dbraw/zinc/37/14/53/395371453.db2.gz NSDVCLMHOCFGQQ-JKSUJKDBSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420399291 395371455 /nfs/dbraw/zinc/37/14/55/395371455.db2.gz NSDVCLMHOCFGQQ-JKSUJKDBSA-N 3 1 276.428 2.046 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420407444 395372862 /nfs/dbraw/zinc/37/28/62/395372862.db2.gz VIMKYMBYBQPHJC-CHWSQXEVSA-N 2 1 294.361 2.419 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355223217 395373507 /nfs/dbraw/zinc/37/35/07/395373507.db2.gz PYAJLKCSZZARKB-NJAFHUGGSA-N 2 1 287.451 2.048 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355223217 395373513 /nfs/dbraw/zinc/37/35/13/395373513.db2.gz PYAJLKCSZZARKB-NJAFHUGGSA-N 2 1 287.451 2.048 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355223217 395373518 /nfs/dbraw/zinc/37/35/18/395373518.db2.gz PYAJLKCSZZARKB-NJAFHUGGSA-N 2 1 287.451 2.048 20 0 CEADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355223217 395373522 /nfs/dbraw/zinc/37/35/22/395373522.db2.gz PYAJLKCSZZARKB-NJAFHUGGSA-N 2 1 287.451 2.048 20 0 CEADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355223217 395373525 /nfs/dbraw/zinc/37/35/25/395373525.db2.gz PYAJLKCSZZARKB-NJAFHUGGSA-N 2 1 287.451 2.048 20 0 CEADMP C[NH2+]CCCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000435883749 395394076 /nfs/dbraw/zinc/39/40/76/395394076.db2.gz MSJJOJOWIBIONL-CVEARBPZSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOCCc1ccccc1 ZINC000442779167 395394945 /nfs/dbraw/zinc/39/49/45/395394945.db2.gz IGDOAUZKMAOYFS-WBVHZDCISA-N 2 1 276.424 2.305 20 0 CEADMP Cc1ccccc1OCC[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420327388 395329864 /nfs/dbraw/zinc/32/98/64/395329864.db2.gz YQWUAYAATPQOHT-HNNXBMFYSA-N 2 1 262.397 2.305 20 0 CEADMP CC(C)N(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514818 395330263 /nfs/dbraw/zinc/33/02/63/395330263.db2.gz GVJSTYJKSYQZSL-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514818 395330267 /nfs/dbraw/zinc/33/02/67/395330267.db2.gz GVJSTYJKSYQZSL-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336647 395334531 /nfs/dbraw/zinc/33/45/31/395334531.db2.gz WAZDPOUKVXVRTD-KGLIPLIRSA-N 2 1 279.453 2.316 20 0 CEADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000354648801 395336839 /nfs/dbraw/zinc/33/68/39/395336839.db2.gz NKVJBUZZRHEXQB-HRCADAONSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000354648801 395336843 /nfs/dbraw/zinc/33/68/43/395336843.db2.gz NKVJBUZZRHEXQB-HRCADAONSA-N 2 1 268.445 2.248 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345291 395338529 /nfs/dbraw/zinc/33/85/29/395338529.db2.gz VSUFFNYIORPJAK-HRCADAONSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCOc1ccccc1 ZINC000420353316 395341149 /nfs/dbraw/zinc/34/11/49/395341149.db2.gz BRVUDKLOUGAPFC-AWEZNQCLSA-N 2 1 250.386 2.419 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCN(C)c1ccccc1 ZINC000420353567 395341247 /nfs/dbraw/zinc/34/12/47/395341247.db2.gz AOWFUHLMBSRMKA-IIAWOOMASA-N 2 1 261.413 2.099 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420358106 395345084 /nfs/dbraw/zinc/34/50/84/395345084.db2.gz DXLSSHOKVFKVFY-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420358833 395346340 /nfs/dbraw/zinc/34/63/40/395346340.db2.gz VAAXRAJHZWACQJ-SCZZXKLOSA-N 2 1 277.195 2.306 20 0 CEADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420358833 395346345 /nfs/dbraw/zinc/34/63/45/395346345.db2.gz VAAXRAJHZWACQJ-SCZZXKLOSA-N 2 1 277.195 2.306 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191190042 395351594 /nfs/dbraw/zinc/35/15/94/395351594.db2.gz VQYCKBBJXLTQDT-CHWSQXEVSA-N 2 1 265.401 2.205 20 0 CEADMP CC[C@H]1[C@@H](C)CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420367061 395352983 /nfs/dbraw/zinc/35/29/83/395352983.db2.gz GMUDURJPCDVCNY-HJWJTTGWSA-N 2 1 276.424 2.038 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CCCSc1ccccc1)C1CC1 ZINC000565417521 395469656 /nfs/dbraw/zinc/46/96/56/395469656.db2.gz VBJBRKRRXCXFET-HNNXBMFYSA-N 2 1 294.464 2.214 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCSc1ccccc1)C1CC1 ZINC000565417521 395469658 /nfs/dbraw/zinc/46/96/58/395469658.db2.gz VBJBRKRRXCXFET-HNNXBMFYSA-N 2 1 294.464 2.214 20 0 CEADMP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)C(C)C ZINC000436054153 395404550 /nfs/dbraw/zinc/40/45/50/395404550.db2.gz GYMANHPGSQQLRS-LBPRGKRZSA-N 2 1 253.415 2.271 20 0 CEADMP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)C(C)C ZINC000436054153 395404553 /nfs/dbraw/zinc/40/45/53/395404553.db2.gz GYMANHPGSQQLRS-LBPRGKRZSA-N 2 1 253.415 2.271 20 0 CEADMP CC[N@H+]1C[C@H](NCC[NH+]2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000444030945 395411526 /nfs/dbraw/zinc/41/15/26/395411526.db2.gz LJJANFPVPXYLFD-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@@H+]1C[C@H](NCC[NH+]2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000444030945 395411529 /nfs/dbraw/zinc/41/15/29/395411529.db2.gz LJJANFPVPXYLFD-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1C[C@H](NCC[N@@H+]2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000444030945 395411534 /nfs/dbraw/zinc/41/15/34/395411534.db2.gz LJJANFPVPXYLFD-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1C[C@H](NCC[N@H+]2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000444030945 395411537 /nfs/dbraw/zinc/41/15/37/395411537.db2.gz LJJANFPVPXYLFD-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H](C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444091418 395413998 /nfs/dbraw/zinc/41/39/98/395413998.db2.gz XBWABRXVNDWHBP-DGADGQDISA-N 2 1 295.471 2.189 20 0 CEADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444091418 395413999 /nfs/dbraw/zinc/41/39/99/395413999.db2.gz XBWABRXVNDWHBP-DGADGQDISA-N 2 1 295.471 2.189 20 0 CEADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444091418 395414004 /nfs/dbraw/zinc/41/40/04/395414004.db2.gz XBWABRXVNDWHBP-DGADGQDISA-N 2 1 295.471 2.189 20 0 CEADMP CC[C@H](C(=O)NCC[N@H+]1CCCC(C)(C)C1)[NH+](CC)CC ZINC000444620544 395440738 /nfs/dbraw/zinc/44/07/38/395440738.db2.gz VFZGWPRSVXMCRN-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000566230658 395506985 /nfs/dbraw/zinc/50/69/85/395506985.db2.gz ALLZALNIPRVYDO-CZUORRHYSA-N 2 1 282.391 2.313 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000566230658 395506987 /nfs/dbraw/zinc/50/69/87/395506987.db2.gz ALLZALNIPRVYDO-CZUORRHYSA-N 2 1 282.391 2.313 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCOCC3(CCC3)C1)C[NH2+]CC2 ZINC000566351694 395514836 /nfs/dbraw/zinc/51/48/36/395514836.db2.gz XVPKUNPZCFHGSB-UHFFFAOYSA-N 2 1 286.419 2.335 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCCC(C)(C)C2)CC1 ZINC000446071704 395482111 /nfs/dbraw/zinc/48/21/11/395482111.db2.gz QSTZVTOZNLFURN-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP COc1ccccc1/C=C\C[NH2+]CCC[NH+]1CCC1 ZINC000565844192 395487543 /nfs/dbraw/zinc/48/75/43/395487543.db2.gz TVQAABHWTDITRP-YWEYNIOJSA-N 2 1 260.381 2.394 20 0 CEADMP CC[C@H]1c2ccsc2CCN1C[C@H](O)C[N@@H+](C)CC ZINC000565988894 395493245 /nfs/dbraw/zinc/49/32/45/395493245.db2.gz LFXJGIBMIJYJRZ-OCCSQVGLSA-N 2 1 282.453 2.370 20 0 CEADMP COC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCCC1 ZINC000446940070 395502349 /nfs/dbraw/zinc/50/23/49/395502349.db2.gz RJINFUBBIOEEQY-OAHLLOKOSA-N 2 1 252.402 2.043 20 0 CEADMP COC(=O)CC[N@@H+](CCc1ccncc1C)CC(C)C ZINC000566156046 395503379 /nfs/dbraw/zinc/50/33/79/395503379.db2.gz PRYXXWVMRUJWBR-UHFFFAOYSA-N 2 1 278.396 2.454 20 0 CEADMP CC(C)(CNC(=O)C[N@H+]1CCC(C)(C)C1)[NH+]1CCCCC1 ZINC000572982483 395597217 /nfs/dbraw/zinc/59/72/17/395597217.db2.gz WZXDAOGGYDPHKL-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000568103845 395548452 /nfs/dbraw/zinc/54/84/52/395548452.db2.gz NYBSIUYFHKELLN-DZGCQCFKSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C1CCCCC1 ZINC000568103845 395548454 /nfs/dbraw/zinc/54/84/54/395548454.db2.gz NYBSIUYFHKELLN-DZGCQCFKSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C1CCCCC1 ZINC000568103845 395548457 /nfs/dbraw/zinc/54/84/57/395548457.db2.gz NYBSIUYFHKELLN-DZGCQCFKSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000568103845 395548459 /nfs/dbraw/zinc/54/84/59/395548459.db2.gz NYBSIUYFHKELLN-DZGCQCFKSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000568103845 395548460 /nfs/dbraw/zinc/54/84/60/395548460.db2.gz NYBSIUYFHKELLN-DZGCQCFKSA-N 2 1 256.434 2.200 20 0 CEADMP CCN(CCOc1ccccc1C)C[C@@H](O)C[N@@H+](C)CC ZINC000568410759 395558912 /nfs/dbraw/zinc/55/89/12/395558912.db2.gz WLKXJHWMSKTQTG-INIZCTEOSA-N 2 1 294.439 2.008 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+](CC)CCOc1ccccc1C ZINC000568410759 395558915 /nfs/dbraw/zinc/55/89/15/395558915.db2.gz WLKXJHWMSKTQTG-INIZCTEOSA-N 2 1 294.439 2.008 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](CC)CCOc1ccccc1C ZINC000568410759 395558917 /nfs/dbraw/zinc/55/89/17/395558917.db2.gz WLKXJHWMSKTQTG-INIZCTEOSA-N 2 1 294.439 2.008 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000568472029 395560887 /nfs/dbraw/zinc/56/08/87/395560887.db2.gz QCWLKWMVJPKSHN-LSDHHAIUSA-N 2 1 287.411 2.241 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)[C@@H](C)C1 ZINC000451140269 395585298 /nfs/dbraw/zinc/58/52/98/395585298.db2.gz TWNVCJKTAPNWMT-ZOFXXKQRSA-N 2 1 298.471 2.279 20 0 CEADMP Cc1nc([C@@H](C)[NH2+]CCCCN2CC[NH+](C)CC2)cs1 ZINC000573976411 395623755 /nfs/dbraw/zinc/62/37/55/395623755.db2.gz CVLRNCCJOLHOFH-CYBMUJFWSA-N 2 1 296.484 2.130 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000574403929 395629345 /nfs/dbraw/zinc/62/93/45/395629345.db2.gz IVXUVRSIPUNMQG-QGZVFWFLSA-N 2 1 289.423 2.283 20 0 CEADMP CC/C=C\CC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000574700703 395635593 /nfs/dbraw/zinc/63/55/93/395635593.db2.gz HJGAQIAXCSQVQZ-WAYWQWQTSA-N 2 1 254.418 2.168 20 0 CEADMP CCOC[C@@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000575069918 395645496 /nfs/dbraw/zinc/64/54/96/395645496.db2.gz MWXKPZKCOZLXJI-HNNXBMFYSA-N 2 1 265.401 2.244 20 0 CEADMP CCOC[C@@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000575069918 395645497 /nfs/dbraw/zinc/64/54/97/395645497.db2.gz MWXKPZKCOZLXJI-HNNXBMFYSA-N 2 1 265.401 2.244 20 0 CEADMP COCC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000494086434 395679221 /nfs/dbraw/zinc/67/92/21/395679221.db2.gz BXPMAWURRURECX-AWEZNQCLSA-N 2 1 256.434 2.369 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)CC1 ZINC000647341857 395706349 /nfs/dbraw/zinc/70/63/49/395706349.db2.gz CVAFDJDHQGDAKX-OKILXGFUSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(C)(C)[NH3+] ZINC000647515669 395724760 /nfs/dbraw/zinc/72/47/60/395724760.db2.gz YZNLMFCHYRRSPN-HNNXBMFYSA-N 2 1 275.440 2.320 20 0 CEADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CCc2ccccc2Cl)C1 ZINC000647549139 395732702 /nfs/dbraw/zinc/73/27/02/395732702.db2.gz JSRFZORBHHUWBW-DGCLKSJQSA-N 2 1 252.789 2.470 20 0 CEADMP COCCOc1ccccc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531333 395727186 /nfs/dbraw/zinc/72/71/86/395727186.db2.gz OZRKTCQFNPINRI-UHFFFAOYSA-N 2 1 278.396 2.025 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000647536648 395728883 /nfs/dbraw/zinc/72/88/83/395728883.db2.gz PJEJPNSZELZYNF-MRXNPFEDSA-N 2 1 255.365 2.406 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)[C@H]1CCOC1 ZINC000647544005 395731355 /nfs/dbraw/zinc/73/13/55/395731355.db2.gz VKFNPQWVXDMASW-ARFHVFGLSA-N 2 1 266.429 2.125 20 0 CEADMP C[NH2+]CC1CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)CC1 ZINC000647705118 395747047 /nfs/dbraw/zinc/74/70/47/395747047.db2.gz YGCGTSIOHFFZGD-UHFFFAOYSA-N 2 1 273.384 2.011 20 0 CEADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647786342 395754291 /nfs/dbraw/zinc/75/42/91/395754291.db2.gz NBEDMKIJNVSRPJ-LTIDMASMSA-N 3 1 293.499 2.475 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647786342 395754293 /nfs/dbraw/zinc/75/42/93/395754293.db2.gz NBEDMKIJNVSRPJ-LTIDMASMSA-N 3 1 293.499 2.475 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647789523 395754755 /nfs/dbraw/zinc/75/47/55/395754755.db2.gz GXFNTCGMBHBQBA-ONTMVUMWSA-N 3 1 293.499 2.331 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647789523 395754758 /nfs/dbraw/zinc/75/47/58/395754758.db2.gz GXFNTCGMBHBQBA-ONTMVUMWSA-N 3 1 293.499 2.331 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798614 395757003 /nfs/dbraw/zinc/75/70/03/395757003.db2.gz UHHVSHVFAJEJMS-YHUYYLMFSA-N 3 1 267.461 2.085 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798614 395757004 /nfs/dbraw/zinc/75/70/04/395757004.db2.gz UHHVSHVFAJEJMS-YHUYYLMFSA-N 3 1 267.461 2.085 20 0 CEADMP COc1ccccc1C1([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000647802092 395757793 /nfs/dbraw/zinc/75/77/93/395757793.db2.gz FVRPBJZPQISRTF-ZDUSSCGKSA-N 2 1 260.381 2.416 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC(CC)(CC)C[NH3+] ZINC000647806889 395758917 /nfs/dbraw/zinc/75/89/17/395758917.db2.gz LLMOCQHTWPEPDF-GFCCVEGCSA-N 2 1 280.416 2.030 20 0 CEADMP COc1ccc(CC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814252 395759214 /nfs/dbraw/zinc/75/92/14/395759214.db2.gz FRSHDJKFESYTOP-UHFFFAOYSA-N 2 1 274.408 2.454 20 0 CEADMP Cc1ccccc1OCCC[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647881214 395768011 /nfs/dbraw/zinc/76/80/11/395768011.db2.gz UGGZVLKQNAFEOH-HNNXBMFYSA-N 2 1 262.397 2.305 20 0 CEADMP COc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647882922 395768831 /nfs/dbraw/zinc/76/88/31/395768831.db2.gz PIBYUKOCCIPOHB-GDBMZVCRSA-N 2 1 274.408 2.312 20 0 CEADMP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647884096 395768838 /nfs/dbraw/zinc/76/88/38/395768838.db2.gz HDFAEHYZBYHELE-ZFWWWQNUSA-N 2 1 260.381 2.442 20 0 CEADMP COc1cc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)ccc1SC ZINC000647882927 395768940 /nfs/dbraw/zinc/76/89/40/395768940.db2.gz PYCPHUQBCRUXFD-CYBMUJFWSA-N 2 1 280.437 2.458 20 0 CEADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)ccc1SC ZINC000647882927 395768941 /nfs/dbraw/zinc/76/89/41/395768941.db2.gz PYCPHUQBCRUXFD-CYBMUJFWSA-N 2 1 280.437 2.458 20 0 CEADMP Fc1cccc(CC[N@@H+](C[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000647885809 395769192 /nfs/dbraw/zinc/76/91/92/395769192.db2.gz SPFBSWQOWKNEFB-CQSZACIVSA-N 2 1 262.372 2.442 20 0 CEADMP Nc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647903713 395770707 /nfs/dbraw/zinc/77/07/07/395770707.db2.gz OPILRZQYIRDQHB-HOCLYGCPSA-N 2 1 259.397 2.233 20 0 CEADMP CO[C@](C)(C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000647911016 395772518 /nfs/dbraw/zinc/77/25/18/395772518.db2.gz NSUTUDPNSCVFQT-NWANDNLSSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@](C)(C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000647911016 395772520 /nfs/dbraw/zinc/77/25/20/395772520.db2.gz NSUTUDPNSCVFQT-NWANDNLSSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@](C)(C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000647911016 395772523 /nfs/dbraw/zinc/77/25/23/395772523.db2.gz NSUTUDPNSCVFQT-NWANDNLSSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@](C)(C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000647911016 395772524 /nfs/dbraw/zinc/77/25/24/395772524.db2.gz NSUTUDPNSCVFQT-NWANDNLSSA-N 2 1 254.418 2.216 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+]C2CSC2)[C@H](c2ccccc2)C1 ZINC000648068275 395825122 /nfs/dbraw/zinc/82/51/22/395825122.db2.gz ODFRVEMKOLGEAW-HIFRSBDPSA-N 2 1 262.422 2.037 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc3[nH]ccc31)CCO2 ZINC000648071537 395825862 /nfs/dbraw/zinc/82/58/62/395825862.db2.gz HFIBEMGIAWPGQW-UHFFFAOYSA-N 2 1 299.418 2.465 20 0 CEADMP CCC(C)(C)NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975824 395793175 /nfs/dbraw/zinc/79/31/75/395793175.db2.gz GMZGGDUBBGDSHI-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977136 395793269 /nfs/dbraw/zinc/79/32/69/395793269.db2.gz YFFJYKILHWARKK-VGWMRTNUSA-N 2 1 295.471 2.001 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977389 395793359 /nfs/dbraw/zinc/79/33/59/395793359.db2.gz AOASLHXUPYKKAU-SJORKVTESA-N 2 1 290.455 2.293 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977389 395793363 /nfs/dbraw/zinc/79/33/63/395793363.db2.gz AOASLHXUPYKKAU-SJORKVTESA-N 3 1 290.455 2.293 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977389 395793365 /nfs/dbraw/zinc/79/33/65/395793365.db2.gz AOASLHXUPYKKAU-SJORKVTESA-N 3 1 290.455 2.293 20 0 CEADMP CCCCCNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977364 395793399 /nfs/dbraw/zinc/79/33/99/395793399.db2.gz ADTQHWNQZFCRMO-JKSUJKDBSA-N 2 1 295.471 2.004 20 0 CEADMP Nc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647978292 395794069 /nfs/dbraw/zinc/79/40/69/395794069.db2.gz PNLKMPHNWQJGAF-HZPDHXFCSA-N 2 1 273.424 2.480 20 0 CEADMP c1ccc(N[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647989135 395796652 /nfs/dbraw/zinc/79/66/52/395796652.db2.gz NIJWILUHXRGTJC-GOEBONIOSA-N 2 1 259.397 2.172 20 0 CEADMP c1ccc(N[C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647989137 395796657 /nfs/dbraw/zinc/79/66/57/395796657.db2.gz NIJWILUHXRGTJC-ZBFHGGJFSA-N 2 1 259.397 2.172 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649295547 396114840 /nfs/dbraw/zinc/11/48/40/396114840.db2.gz XYERAAQPLLSLDY-AWEZNQCLSA-N 2 1 283.460 2.132 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000649412171 396147235 /nfs/dbraw/zinc/14/72/35/396147235.db2.gz QDDMIYAABIZWKJ-ZACQAIPSSA-N 2 1 279.472 2.182 20 0 CEADMP Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H]1CC[NH2+]C1)CCC2 ZINC000649413619 396147707 /nfs/dbraw/zinc/14/77/07/396147707.db2.gz RZLHIHRDNSBHTI-DGCLKSJQSA-N 2 1 265.426 2.370 20 0 CEADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000649508503 396174773 /nfs/dbraw/zinc/17/47/73/396174773.db2.gz YEGWXWOXWPSXNP-UHFFFAOYSA-N 2 1 290.455 2.382 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000649508503 396174774 /nfs/dbraw/zinc/17/47/74/396174774.db2.gz YEGWXWOXWPSXNP-UHFFFAOYSA-N 2 1 290.455 2.382 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)OCC12CCC2 ZINC000649822558 396266596 /nfs/dbraw/zinc/26/65/96/396266596.db2.gz JRDAOVBXLMLJCT-ZDUSSCGKSA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000649822558 396266599 /nfs/dbraw/zinc/26/65/99/396266599.db2.gz JRDAOVBXLMLJCT-ZDUSSCGKSA-N 2 1 263.385 2.225 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC23CCCC3)CC1 ZINC000649658092 396221838 /nfs/dbraw/zinc/22/18/38/396221838.db2.gz XXXOFYOOMPKNCE-UHFFFAOYSA-N 2 1 279.472 2.421 20 0 CEADMP CC(C)O[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000649702385 396232855 /nfs/dbraw/zinc/23/28/55/396232855.db2.gz COZMPBIRUMRSRU-GJZGRUSLSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)O[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000649702385 396232856 /nfs/dbraw/zinc/23/28/56/396232856.db2.gz COZMPBIRUMRSRU-GJZGRUSLSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)O[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000649702385 396232859 /nfs/dbraw/zinc/23/28/59/396232859.db2.gz COZMPBIRUMRSRU-GJZGRUSLSA-N 2 1 254.418 2.360 20 0 CEADMP Cc1ccc(F)cc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105950 396294168 /nfs/dbraw/zinc/29/41/68/396294168.db2.gz NJXACYPJHLKENI-UHFFFAOYSA-N 2 1 292.398 2.431 20 0 CEADMP Cc1ccc(F)cc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105950 396294169 /nfs/dbraw/zinc/29/41/69/396294169.db2.gz NJXACYPJHLKENI-UHFFFAOYSA-N 2 1 292.398 2.431 20 0 CEADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249254 396450261 /nfs/dbraw/zinc/45/02/61/396450261.db2.gz NVZMVGWRHRKOPP-SJORKVTESA-N 2 1 298.434 2.164 20 0 CEADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249254 396450263 /nfs/dbraw/zinc/45/02/63/396450263.db2.gz NVZMVGWRHRKOPP-SJORKVTESA-N 2 1 298.434 2.164 20 0 CEADMP COC1(C[NH+]2CCC([N@H+]3CCC[C@H]3C)CC2)CCOCC1 ZINC000372981399 292110443 /nfs/dbraw/zinc/11/04/43/292110443.db2.gz OBIQVTMPADRKLI-OAHLLOKOSA-N 2 1 296.455 2.131 20 0 CEADMP CC1CCC(O)(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000336603373 400357421 /nfs/dbraw/zinc/35/74/21/400357421.db2.gz MQXUTNHDHYCQRF-CGZBRXJRSA-N 2 1 280.456 2.345 20 0 CEADMP CC1CCC(O)(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000336603373 400357425 /nfs/dbraw/zinc/35/74/25/400357425.db2.gz MQXUTNHDHYCQRF-CGZBRXJRSA-N 2 1 280.456 2.345 20 0 CEADMP CC1CCC(O)(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000336603373 400357430 /nfs/dbraw/zinc/35/74/30/400357430.db2.gz MQXUTNHDHYCQRF-CGZBRXJRSA-N 2 1 280.456 2.345 20 0 CEADMP CC(C)C[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000386050254 400523993 /nfs/dbraw/zinc/52/39/93/400523993.db2.gz BUCYHEBUDOSBEQ-HNNXBMFYSA-N 2 1 258.450 2.302 20 0 CEADMP Cc1ccc(CN(C)C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000388929742 400535169 /nfs/dbraw/zinc/53/51/69/400535169.db2.gz XGWOMHUCMLQESX-INIZCTEOSA-N 2 1 264.413 2.128 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000574411452 400606861 /nfs/dbraw/zinc/60/68/61/400606861.db2.gz IAGANVCZCRNNMI-BZZMCLGOSA-N 2 1 288.435 2.320 20 0 CEADMP Cc1cccc(C2([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)CCC2)c1 ZINC000646022474 400716559 /nfs/dbraw/zinc/71/65/59/400716559.db2.gz HYEDIIHQLUHAHH-KRWDZBQOSA-N 2 1 288.435 2.419 20 0 CEADMP Cc1cccc(C2([NH2+]C[C@H](O)C[N@H+](C)C3CC3)CCC2)c1 ZINC000646022474 400716561 /nfs/dbraw/zinc/71/65/61/400716561.db2.gz HYEDIIHQLUHAHH-KRWDZBQOSA-N 2 1 288.435 2.419 20 0 CEADMP COCC[NH2+]C1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000650704150 400996955 /nfs/dbraw/zinc/99/69/55/400996955.db2.gz KFCUAZFNQHLFMS-UHFFFAOYSA-N 2 1 288.435 2.376 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709868 401000576 /nfs/dbraw/zinc/00/05/76/401000576.db2.gz UUVQBWSKXYWUCT-HOTGVXAUSA-N 2 1 276.428 2.333 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2cnc(N(C)C)s2)[C@H]1CC[NH3+] ZINC000650711624 401002033 /nfs/dbraw/zinc/00/20/33/401002033.db2.gz ZSPHVZVLDRUZBO-AAEUAGOBSA-N 2 1 282.457 2.158 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2F)[C@@H](C)C1 ZINC000650717983 401008112 /nfs/dbraw/zinc/00/81/12/401008112.db2.gz SVYSZNNRWZLRDU-LRDDRELGSA-N 2 1 279.403 2.104 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000650758333 401034557 /nfs/dbraw/zinc/03/45/57/401034557.db2.gz NIHHDBOXHRWQGB-CZUORRHYSA-N 2 1 273.424 2.121 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000650758333 401034565 /nfs/dbraw/zinc/03/45/65/401034565.db2.gz NIHHDBOXHRWQGB-CZUORRHYSA-N 2 1 273.424 2.121 20 0 CEADMP CC[N@@H+](CCC[NH2+][C@@H](C)CC(=O)N(C)C)C1CCCCC1 ZINC000651910300 401414103 /nfs/dbraw/zinc/41/41/03/401414103.db2.gz OQAQMKFIBHWKOZ-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000651865674 401405711 /nfs/dbraw/zinc/40/57/11/401405711.db2.gz DEDQREXADXNSRL-GDBMZVCRSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000651865674 401405713 /nfs/dbraw/zinc/40/57/13/401405713.db2.gz DEDQREXADXNSRL-GDBMZVCRSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000651865674 401405714 /nfs/dbraw/zinc/40/57/14/401405714.db2.gz DEDQREXADXNSRL-GDBMZVCRSA-N 2 1 267.461 2.037 20 0 CEADMP C1CC1[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000651928570 401416747 /nfs/dbraw/zinc/41/67/47/401416747.db2.gz LDYMKLNPDZXITQ-ZACQAIPSSA-N 2 1 278.440 2.408 20 0 CEADMP CC[N@@H+](CCCNC(=O)N(C)CCC[NH3+])C1CCCCC1 ZINC000652227900 401468062 /nfs/dbraw/zinc/46/80/62/401468062.db2.gz QRMHFFWKYZBIAQ-UHFFFAOYSA-N 2 1 298.475 2.021 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC2(CO)CCC2)[C@@H]2CCC[C@H]21 ZINC000652312410 401485415 /nfs/dbraw/zinc/48/54/15/401485415.db2.gz OCQGSDFQEQIBCW-SOUVJXGZSA-N 2 1 266.429 2.002 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000652336987 401489627 /nfs/dbraw/zinc/48/96/27/401489627.db2.gz ZEOIKRSZTYQYPY-CYBMUJFWSA-N 2 1 290.329 2.108 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000652336987 401489628 /nfs/dbraw/zinc/48/96/28/401489628.db2.gz ZEOIKRSZTYQYPY-CYBMUJFWSA-N 2 1 290.329 2.108 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347814 401491000 /nfs/dbraw/zinc/49/10/00/401491000.db2.gz MTHGLSDDVSLHQT-ULQDDVLXSA-N 2 1 298.471 2.267 20 0 CEADMP CCCCOCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348278 401491222 /nfs/dbraw/zinc/49/12/22/401491222.db2.gz ZWRBVCSLEJPFMD-HRCADAONSA-N 2 1 284.444 2.021 20 0 CEADMP CC(C)OCCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348953 401491827 /nfs/dbraw/zinc/49/18/27/401491827.db2.gz WTHIFLNJZZWXFJ-XHSDSOJGSA-N 2 1 284.444 2.020 20 0 CEADMP CCO[C@@H]1C[N@@H+](CCCc2ccccc2C)C[C@H]1C[NH3+] ZINC000652356956 401492680 /nfs/dbraw/zinc/49/26/80/401492680.db2.gz SMNFFVFADOWWBQ-IAGOWNOFSA-N 2 1 276.424 2.223 20 0 CEADMP CCn1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cn1 ZINC000360169847 155233716 /nfs/dbraw/zinc/23/37/16/155233716.db2.gz VLESGINQRMBOGF-UHFFFAOYSA-N 2 1 264.417 2.115 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(O)c2)CC1 ZINC000360245833 155251649 /nfs/dbraw/zinc/25/16/49/155251649.db2.gz QWYUSDMFBDBKDQ-ZDUSSCGKSA-N 2 1 262.397 2.397 20 0 CEADMP CCO[C@@H](CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000155716808 286200403 /nfs/dbraw/zinc/20/04/03/286200403.db2.gz ZJBVXEHYNNYGTH-KKUMJFAQSA-N 2 1 256.434 2.367 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCCc2ccncc2)CCN1C ZINC000360455356 155305228 /nfs/dbraw/zinc/30/52/28/155305228.db2.gz NGKKHTFBDGZGDE-GOEBONIOSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCCc2ccncc2)CC[N@@H+]1C ZINC000360455356 155305230 /nfs/dbraw/zinc/30/52/30/155305230.db2.gz NGKKHTFBDGZGDE-GOEBONIOSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCCc2ccncc2)CC[N@H+]1C ZINC000360455356 155305233 /nfs/dbraw/zinc/30/52/33/155305233.db2.gz NGKKHTFBDGZGDE-GOEBONIOSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CCCc2ccncc2)CC[NH+]1C ZINC000360455356 155305236 /nfs/dbraw/zinc/30/52/36/155305236.db2.gz NGKKHTFBDGZGDE-GOEBONIOSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCCc2ccncc2)CC[NH+]1C ZINC000360455356 155305239 /nfs/dbraw/zinc/30/52/39/155305239.db2.gz NGKKHTFBDGZGDE-GOEBONIOSA-N 2 1 261.413 2.429 20 0 CEADMP Cc1cc([C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)[nH]n1 ZINC000360605456 155334222 /nfs/dbraw/zinc/33/42/22/155334222.db2.gz WSMHUVDQYIHZSF-GJZGRUSLSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)[nH]n1 ZINC000360605456 155334223 /nfs/dbraw/zinc/33/42/23/155334223.db2.gz WSMHUVDQYIHZSF-GJZGRUSLSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)[nH]n1 ZINC000360605456 155334224 /nfs/dbraw/zinc/33/42/24/155334224.db2.gz WSMHUVDQYIHZSF-GJZGRUSLSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)n[nH]1 ZINC000360605456 155334226 /nfs/dbraw/zinc/33/42/26/155334226.db2.gz WSMHUVDQYIHZSF-GJZGRUSLSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)n[nH]1 ZINC000360605456 155334227 /nfs/dbraw/zinc/33/42/27/155334227.db2.gz WSMHUVDQYIHZSF-GJZGRUSLSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n[nH]1 ZINC000360605456 155334228 /nfs/dbraw/zinc/33/42/28/155334228.db2.gz WSMHUVDQYIHZSF-GJZGRUSLSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n[nH]1 ZINC000360605456 155334229 /nfs/dbraw/zinc/33/42/29/155334229.db2.gz WSMHUVDQYIHZSF-GJZGRUSLSA-N 2 1 276.428 2.382 20 0 CEADMP Cn1nccc1CN1C[C@H]2[C@@H](C1)C[N@@H+](C)[C@@H]2c1ccccc1 ZINC000360790102 155374194 /nfs/dbraw/zinc/37/41/94/155374194.db2.gz ARPXZETUGPDNGI-BPQIPLTHSA-N 2 1 296.418 2.155 20 0 CEADMP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC000189425604 153092804 /nfs/dbraw/zinc/09/28/04/153092804.db2.gz PNGNNAZNRUYTIS-CHWSQXEVSA-N 2 1 294.361 2.108 20 0 CEADMP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC000189425604 153092807 /nfs/dbraw/zinc/09/28/07/153092807.db2.gz PNGNNAZNRUYTIS-CHWSQXEVSA-N 2 1 294.361 2.108 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)C2CCCCC2)CC[N@@H+]1C ZINC000190633399 153138517 /nfs/dbraw/zinc/13/85/17/153138517.db2.gz FGVAFCYKACXKGU-KBMXLJTQSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)C2CCCCC2)CC[N@H+]1C ZINC000190633399 153138521 /nfs/dbraw/zinc/13/85/21/153138521.db2.gz FGVAFCYKACXKGU-KBMXLJTQSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)C2CCCCC2)CC[NH+]1C ZINC000190633399 153138524 /nfs/dbraw/zinc/13/85/24/153138524.db2.gz FGVAFCYKACXKGU-KBMXLJTQSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)C2CCCCC2)CC[NH+]1C ZINC000190633399 153138526 /nfs/dbraw/zinc/13/85/26/153138526.db2.gz FGVAFCYKACXKGU-KBMXLJTQSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000191438726 153171740 /nfs/dbraw/zinc/17/17/40/153171740.db2.gz XVDRSPLEBQYLOD-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192934656 153225097 /nfs/dbraw/zinc/22/50/97/153225097.db2.gz PATLWRJZMUFQPX-XIRDDKMYSA-N 2 1 274.408 2.276 20 0 CEADMP C[C@@H](CC[NH3+])[NH2+]Cc1cc(Br)ccc1F ZINC000220521154 153308908 /nfs/dbraw/zinc/30/89/08/153308908.db2.gz MJWDMSACEBMOMP-QMMMGPOBSA-N 2 1 275.165 2.415 20 0 CEADMP CCCN1CCC([NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000227497420 153344226 /nfs/dbraw/zinc/34/42/26/153344226.db2.gz DWTRLICROXPAKW-UHFFFAOYSA-N 2 1 267.461 2.182 20 0 CEADMP Cc1ccc(O)c(C[N@H+](CCC[NH3+])Cc2ccccc2)n1 ZINC000230004996 153382594 /nfs/dbraw/zinc/38/25/94/153382594.db2.gz WUPSXIZVEBBWBD-UHFFFAOYSA-N 2 1 285.391 2.447 20 0 CEADMP Cc1ccc(O)c(C[N@@H+](CCC[NH3+])Cc2ccccc2)n1 ZINC000230004996 153382598 /nfs/dbraw/zinc/38/25/98/153382598.db2.gz WUPSXIZVEBBWBD-UHFFFAOYSA-N 2 1 285.391 2.447 20 0 CEADMP CN(C[C@H](O)C[N@@H+](C)CCCCc1ccccc1)C1CC1 ZINC000290106384 154168169 /nfs/dbraw/zinc/16/81/69/154168169.db2.gz XGZXWAZNCZVGLA-GOSISDBHSA-N 2 1 290.451 2.396 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)CCCCc1ccccc1)C1CC1 ZINC000290106384 154168174 /nfs/dbraw/zinc/16/81/74/154168174.db2.gz XGZXWAZNCZVGLA-GOSISDBHSA-N 2 1 290.451 2.396 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)CCCCc1ccccc1)C1CC1 ZINC000290106384 154168181 /nfs/dbraw/zinc/16/81/81/154168181.db2.gz XGZXWAZNCZVGLA-GOSISDBHSA-N 2 1 290.451 2.396 20 0 CEADMP C[NH+](CCCCc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290106384 154168189 /nfs/dbraw/zinc/16/81/89/154168189.db2.gz XGZXWAZNCZVGLA-GOSISDBHSA-N 2 1 290.451 2.396 20 0 CEADMP CC[C@@H](C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000348993468 154307334 /nfs/dbraw/zinc/30/73/34/154307334.db2.gz HIIPHBBIPKVXSS-WMZOPIPTSA-N 2 1 287.451 2.160 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000351858824 154317917 /nfs/dbraw/zinc/31/79/17/154317917.db2.gz DUYRCHYPKLPXAF-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000351858824 154317922 /nfs/dbraw/zinc/31/79/22/154317922.db2.gz DUYRCHYPKLPXAF-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)c1noc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000357074595 154370947 /nfs/dbraw/zinc/37/09/47/154370947.db2.gz IHFSTIUVFIYUBC-CYBMUJFWSA-N 2 1 278.400 2.015 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000359677151 155106663 /nfs/dbraw/zinc/10/66/63/155106663.db2.gz NYGOOKZRTYXCSH-NVXWUHKLSA-N 2 1 287.451 2.369 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000359799793 155130288 /nfs/dbraw/zinc/13/02/88/155130288.db2.gz NHGVEHNJUGNMLH-USXIJHARSA-N 2 1 275.440 2.219 20 0 CEADMP COC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367139809 156136827 /nfs/dbraw/zinc/13/68/27/156136827.db2.gz LPXUFQOSWUAJPD-HNNXBMFYSA-N 2 1 282.428 2.138 20 0 CEADMP COC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367139809 156136829 /nfs/dbraw/zinc/13/68/29/156136829.db2.gz LPXUFQOSWUAJPD-HNNXBMFYSA-N 2 1 282.428 2.138 20 0 CEADMP c1nn2ccccc2c1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000367472339 156193622 /nfs/dbraw/zinc/19/36/22/156193622.db2.gz JEVMGDZKSQFAAH-SOLBZPMBSA-N 2 1 296.418 2.250 20 0 CEADMP c1nn2ccccc2c1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000367472339 156193624 /nfs/dbraw/zinc/19/36/24/156193624.db2.gz JEVMGDZKSQFAAH-SOLBZPMBSA-N 2 1 296.418 2.250 20 0 CEADMP c1nn2ccccc2c1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000367472339 156193630 /nfs/dbraw/zinc/19/36/30/156193630.db2.gz JEVMGDZKSQFAAH-SOLBZPMBSA-N 2 1 296.418 2.250 20 0 CEADMP c1nn2ccccc2c1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000367472339 156193634 /nfs/dbraw/zinc/19/36/34/156193634.db2.gz JEVMGDZKSQFAAH-SOLBZPMBSA-N 2 1 296.418 2.250 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367599573 156213012 /nfs/dbraw/zinc/21/30/12/156213012.db2.gz WLWBFTIHVPSWLG-XWTMOSNGSA-N 2 1 288.435 2.491 20 0 CEADMP Cc1csc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000367613234 156217348 /nfs/dbraw/zinc/21/73/48/156217348.db2.gz BYYOAWNEDWJKRS-XQQFMLRXSA-N 2 1 265.426 2.414 20 0 CEADMP Cc1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000367613234 156217350 /nfs/dbraw/zinc/21/73/50/156217350.db2.gz BYYOAWNEDWJKRS-XQQFMLRXSA-N 2 1 265.426 2.414 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOCC[C@H]1C ZINC000367668854 156222221 /nfs/dbraw/zinc/22/22/21/156222221.db2.gz YNSJHFDKRKJSNE-CYBMUJFWSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOCC[C@H]1C ZINC000367668854 156222228 /nfs/dbraw/zinc/22/22/28/156222228.db2.gz YNSJHFDKRKJSNE-CYBMUJFWSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000368075045 156280013 /nfs/dbraw/zinc/28/00/13/156280013.db2.gz PQFYBSKXMZIZIL-GJZGRUSLSA-N 2 1 277.412 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000368075045 156280017 /nfs/dbraw/zinc/28/00/17/156280017.db2.gz PQFYBSKXMZIZIL-GJZGRUSLSA-N 2 1 277.412 2.471 20 0 CEADMP Cc1ccccc1OCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368636443 156380985 /nfs/dbraw/zinc/38/09/85/156380985.db2.gz UXDDPTMWCJORBJ-KRWDZBQOSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1ccccc1OCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368636443 156380990 /nfs/dbraw/zinc/38/09/90/156380990.db2.gz UXDDPTMWCJORBJ-KRWDZBQOSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368636443 156380992 /nfs/dbraw/zinc/38/09/92/156380992.db2.gz UXDDPTMWCJORBJ-KRWDZBQOSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368636443 156380996 /nfs/dbraw/zinc/38/09/96/156380996.db2.gz UXDDPTMWCJORBJ-KRWDZBQOSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1ccccc1OCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368636444 156382267 /nfs/dbraw/zinc/38/22/67/156382267.db2.gz UXDDPTMWCJORBJ-QGZVFWFLSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1ccccc1OCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368636444 156382271 /nfs/dbraw/zinc/38/22/71/156382271.db2.gz UXDDPTMWCJORBJ-QGZVFWFLSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368636444 156382273 /nfs/dbraw/zinc/38/22/73/156382273.db2.gz UXDDPTMWCJORBJ-QGZVFWFLSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368636444 156382274 /nfs/dbraw/zinc/38/22/74/156382274.db2.gz UXDDPTMWCJORBJ-QGZVFWFLSA-N 2 1 274.408 2.401 20 0 CEADMP c1cnc(C2CC[NH+](CCC[NH+]3CCCC3)CC2)cn1 ZINC000375706367 157129367 /nfs/dbraw/zinc/12/93/67/157129367.db2.gz SCULAJIDMDCRLA-UHFFFAOYSA-N 2 1 274.412 2.142 20 0 CEADMP CC1(C[NH2+][C@@H]2CCC[N@@H+](C3CCCCC3)C2)COC1 ZINC000375738138 157131036 /nfs/dbraw/zinc/13/10/36/157131036.db2.gz KQLVYOZXECQPJR-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP CC1(C[NH2+][C@@H]2CCC[N@H+](C3CCCCC3)C2)COC1 ZINC000375738138 157131040 /nfs/dbraw/zinc/13/10/40/157131040.db2.gz KQLVYOZXECQPJR-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@@H+](C[C@@H]1CC2(CCC2)C(=O)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375765589 157138843 /nfs/dbraw/zinc/13/88/43/157138843.db2.gz WSJFNJCYJDMPJX-IXXDHKBRSA-N 2 1 292.423 2.029 20 0 CEADMP C[NH+](C[C@@H]1CC2(CCC2)C(=O)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375765589 157138844 /nfs/dbraw/zinc/13/88/44/157138844.db2.gz WSJFNJCYJDMPJX-IXXDHKBRSA-N 2 1 292.423 2.029 20 0 CEADMP C[NH+](C[C@@H]1CC2(CCC2)C(=O)O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375765589 157138847 /nfs/dbraw/zinc/13/88/47/157138847.db2.gz WSJFNJCYJDMPJX-IXXDHKBRSA-N 2 1 292.423 2.029 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2F)[C@H]2CCC[C@H]21 ZINC000375854830 157152841 /nfs/dbraw/zinc/15/28/41/157152841.db2.gz WQKNBYFQPIIKLG-XBVQOTNRSA-N 2 1 292.398 2.322 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCCCCO)[C@H]2CCC[C@@H]21 ZINC000375852372 157153047 /nfs/dbraw/zinc/15/30/47/157153047.db2.gz NUMGJRFOQHGIMQ-ILXRZTDVSA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)SCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000375963729 157169248 /nfs/dbraw/zinc/16/92/48/157169248.db2.gz SCQCKOTZPGKLSE-MRXNPFEDSA-N 2 1 299.528 2.230 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnn3ccccc23)[C@H]2CCC[C@@H]21 ZINC000376110911 157186976 /nfs/dbraw/zinc/18/69/76/157186976.db2.gz CANOHXXGWAPFRA-VYDXJSESSA-N 2 1 284.407 2.297 20 0 CEADMP C[N@@H+](CCOC1CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000376552834 157244798 /nfs/dbraw/zinc/24/47/98/157244798.db2.gz FUYOZDDBCQHSMV-PBWFPOADSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](CCOC1CCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376552834 157244802 /nfs/dbraw/zinc/24/48/02/157244802.db2.gz FUYOZDDBCQHSMV-PBWFPOADSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](CCOC1CCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376552834 157244806 /nfs/dbraw/zinc/24/48/06/157244806.db2.gz FUYOZDDBCQHSMV-PBWFPOADSA-N 2 1 252.402 2.113 20 0 CEADMP c1cn2c(cccc2C[N@H+]2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000180484131 165313138 /nfs/dbraw/zinc/31/31/38/165313138.db2.gz MJRUGYHFYKBXOK-MRXNPFEDSA-N 2 1 294.358 2.383 20 0 CEADMP c1cn2c(cccc2CN2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000180484131 165313143 /nfs/dbraw/zinc/31/31/43/165313143.db2.gz MJRUGYHFYKBXOK-MRXNPFEDSA-N 2 1 294.358 2.383 20 0 CEADMP CO[C@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000182102485 165362020 /nfs/dbraw/zinc/36/20/20/165362020.db2.gz OGJDMXSLWVGCIC-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP c1cn(CCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000182969092 165378727 /nfs/dbraw/zinc/37/87/27/165378727.db2.gz XYTJTFXTUJQIPK-WBVHZDCISA-N 2 1 288.439 2.222 20 0 CEADMP c1cn(CCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000182969092 165378730 /nfs/dbraw/zinc/37/87/30/165378730.db2.gz XYTJTFXTUJQIPK-WBVHZDCISA-N 2 1 288.439 2.222 20 0 CEADMP c1cn(CCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000182969092 165378731 /nfs/dbraw/zinc/37/87/31/165378731.db2.gz XYTJTFXTUJQIPK-WBVHZDCISA-N 2 1 288.439 2.222 20 0 CEADMP c1cn(CCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000182969092 165378734 /nfs/dbraw/zinc/37/87/34/165378734.db2.gz XYTJTFXTUJQIPK-WBVHZDCISA-N 2 1 288.439 2.222 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000284276211 196018576 /nfs/dbraw/zinc/01/85/76/196018576.db2.gz HFOYNMCZGCZMHM-UHFFFAOYSA-N 2 1 274.412 2.126 20 0 CEADMP c1cc2c(cc1C[NH2+]CCC[NH+]1CCCCC1)OCCO2 ZINC000020128876 171016021 /nfs/dbraw/zinc/01/60/21/171016021.db2.gz PPTBQUQPNZYMRD-UHFFFAOYSA-N 2 1 290.407 2.423 20 0 CEADMP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1O ZINC000020188929 171054508 /nfs/dbraw/zinc/05/45/08/171054508.db2.gz SXRNLOHMGJLLMX-UHFFFAOYSA-N 2 1 278.396 2.363 20 0 CEADMP COCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515592 173246781 /nfs/dbraw/zinc/24/67/81/173246781.db2.gz NONJJLQIAAMOJG-UHFFFAOYSA-N 2 1 276.424 2.320 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000038098020 174111670 /nfs/dbraw/zinc/11/16/70/174111670.db2.gz AHPWJESCZRYZOI-UHFFFAOYSA-N 2 1 285.391 2.102 20 0 CEADMP CC(C)[C@H](C[NH2+]Cc1ccc(Cl)o1)N1CC[NH+](C)CC1 ZINC000040435574 174261601 /nfs/dbraw/zinc/26/16/01/174261601.db2.gz BNYUMCLKPODYPA-AWEZNQCLSA-N 2 1 299.846 2.295 20 0 CEADMP CC(C)[C@@H](C[NH2+]Cc1ccc(Cl)o1)N1CC[NH+](C)CC1 ZINC000040435573 174261607 /nfs/dbraw/zinc/26/16/07/174261607.db2.gz BNYUMCLKPODYPA-CQSZACIVSA-N 2 1 299.846 2.295 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000040593349 174347733 /nfs/dbraw/zinc/34/77/33/174347733.db2.gz JVBLSDTYOAOMGC-CQSZACIVSA-N 2 1 260.381 2.053 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000040593349 174347735 /nfs/dbraw/zinc/34/77/35/174347735.db2.gz JVBLSDTYOAOMGC-CQSZACIVSA-N 2 1 260.381 2.053 20 0 CEADMP C(CN1CCC([NH+]2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000040694109 174377692 /nfs/dbraw/zinc/37/76/92/174377692.db2.gz WXKNANRJPTZRCJ-UHFFFAOYSA-N 2 1 279.472 2.326 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CCC(F)(F)CC1 ZINC000653872203 414764763 /nfs/dbraw/zinc/76/47/63/414764763.db2.gz RCJCRKUHTRFAEH-FZMZJTMJSA-N 2 1 290.398 2.245 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CCC(F)(F)CC1 ZINC000653872203 414764766 /nfs/dbraw/zinc/76/47/66/414764766.db2.gz RCJCRKUHTRFAEH-FZMZJTMJSA-N 2 1 290.398 2.245 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](CC)CO1 ZINC000403778234 414766690 /nfs/dbraw/zinc/76/66/90/414766690.db2.gz FQBSNBQNJWTUGP-APIJFGDWSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1CN(CCC[NH3+])[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000404309741 414777246 /nfs/dbraw/zinc/77/72/46/414777246.db2.gz VJZXDYROPBTBOX-BZUAXINKSA-N 2 1 275.440 2.319 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])C(C)C ZINC000404279771 414778714 /nfs/dbraw/zinc/77/87/14/414778714.db2.gz PADRIVOQCITLJP-GJZGRUSLSA-N 2 1 283.460 2.081 20 0 CEADMP Cc1csc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])n1 ZINC000404380036 414783457 /nfs/dbraw/zinc/78/34/57/414783457.db2.gz MBWUZRIHBHBWIW-PWSUYJOCSA-N 2 1 253.415 2.401 20 0 CEADMP Cc1csc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])n1 ZINC000404380036 414783461 /nfs/dbraw/zinc/78/34/61/414783461.db2.gz MBWUZRIHBHBWIW-PWSUYJOCSA-N 2 1 253.415 2.401 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)[C@@H]1CC[NH3+] ZINC000404379093 414784186 /nfs/dbraw/zinc/78/41/86/414784186.db2.gz SZMYLMSUOOPQEN-LVQVYYBASA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000657175071 414796894 /nfs/dbraw/zinc/79/68/94/414796894.db2.gz XSOTWNINSHGAGD-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1CN(C)c2ccccc2C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420322154 414806125 /nfs/dbraw/zinc/80/61/25/414806125.db2.gz SGRYCWTZOZQOPE-GJZGRUSLSA-N 2 1 273.424 2.327 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cnn(C(C)C)c2)CC[C@@H]1[NH3+] ZINC000220233333 414844388 /nfs/dbraw/zinc/84/43/88/414844388.db2.gz ZHDGUIGXEFCQIH-KGLIPLIRSA-N 2 1 250.390 2.023 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cnn(C(C)C)c2)CC[C@@H]1[NH3+] ZINC000220233333 414844394 /nfs/dbraw/zinc/84/43/94/414844394.db2.gz ZHDGUIGXEFCQIH-KGLIPLIRSA-N 2 1 250.390 2.023 20 0 CEADMP C[C@@H](CNCc1cnc2n1CCC2)[N@H+]1CCCC[C@@H]1C ZINC000657307514 414848934 /nfs/dbraw/zinc/84/89/34/414848934.db2.gz HLZFZXXIOVHFIJ-KBPBESRZSA-N 2 1 276.428 2.182 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657311681 414853078 /nfs/dbraw/zinc/85/30/78/414853078.db2.gz RHXOMMSAGKJMSA-OAHLLOKOSA-N 2 1 290.455 2.431 20 0 CEADMP Cn1ncc(C2CC2)c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657312971 414853672 /nfs/dbraw/zinc/85/36/72/414853672.db2.gz DXYVOCCWGZOFGE-UONOGXRCSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657312971 414853679 /nfs/dbraw/zinc/85/36/79/414853679.db2.gz DXYVOCCWGZOFGE-UONOGXRCSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657312971 414853685 /nfs/dbraw/zinc/85/36/85/414853685.db2.gz DXYVOCCWGZOFGE-UONOGXRCSA-N 2 1 274.412 2.014 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NCc1cnc2n1CCC2 ZINC000657325894 414861513 /nfs/dbraw/zinc/86/15/13/414861513.db2.gz AEHRAMNJYFCJJD-KGLIPLIRSA-N 2 1 276.428 2.039 20 0 CEADMP C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1cnc2n1CCC2 ZINC000657325894 414861517 /nfs/dbraw/zinc/86/15/17/414861517.db2.gz AEHRAMNJYFCJJD-KGLIPLIRSA-N 2 1 276.428 2.039 20 0 CEADMP Cc1cc(CO)cc(NC[C@@H](C)C[NH+]2CCCC2)[nH+]1 ZINC000663399028 414943193 /nfs/dbraw/zinc/94/31/93/414943193.db2.gz BSRVZGAEMAQXRH-GFCCVEGCSA-N 2 1 263.385 2.026 20 0 CEADMP Cc1nccn1CCCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660658476 414920036 /nfs/dbraw/zinc/92/00/36/414920036.db2.gz CUKCICGZFFXOQY-KRWDZBQOSA-N 3 1 290.455 2.389 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660658476 414920040 /nfs/dbraw/zinc/92/00/40/414920040.db2.gz CUKCICGZFFXOQY-KRWDZBQOSA-N 3 1 290.455 2.389 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660658476 414920043 /nfs/dbraw/zinc/92/00/43/414920043.db2.gz CUKCICGZFFXOQY-KRWDZBQOSA-N 3 1 290.455 2.389 20 0 CEADMP CCOc1ccc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)nc1 ZINC000660658327 414920200 /nfs/dbraw/zinc/92/02/00/414920200.db2.gz YODFXOWJRKWADD-KRWDZBQOSA-N 2 1 289.423 2.398 20 0 CEADMP COCCCCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660084 414921744 /nfs/dbraw/zinc/92/17/44/414921744.db2.gz UDOYHHYKCLYSEI-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP COCCCCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660084 414921749 /nfs/dbraw/zinc/92/17/49/414921749.db2.gz UDOYHHYKCLYSEI-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP COCCCCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660660084 414921752 /nfs/dbraw/zinc/92/17/52/414921752.db2.gz UDOYHHYKCLYSEI-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663343690 414922913 /nfs/dbraw/zinc/92/29/13/414922913.db2.gz BCTQXVBRLAPKCC-OAHLLOKOSA-N 2 1 274.412 2.195 20 0 CEADMP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663343690 414922917 /nfs/dbraw/zinc/92/29/17/414922917.db2.gz BCTQXVBRLAPKCC-OAHLLOKOSA-N 2 1 274.412 2.195 20 0 CEADMP COC1(CC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)CCC1 ZINC000660662714 414925953 /nfs/dbraw/zinc/92/59/53/414925953.db2.gz LSNFRIFEROSTMO-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP COC[C@@H](C)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679669 414932206 /nfs/dbraw/zinc/93/22/06/414932206.db2.gz RVGZNFFHPOCRKO-CQSZACIVSA-N 2 1 262.397 2.276 20 0 CEADMP C[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000663368295 414932166 /nfs/dbraw/zinc/93/21/66/414932166.db2.gz CWQWXVFGPRKTGY-NVXWUHKLSA-N 2 1 288.435 2.259 20 0 CEADMP CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC000660690851 414937166 /nfs/dbraw/zinc/93/71/66/414937166.db2.gz CWNUUJZFUCHQOL-UONOGXRCSA-N 2 1 258.450 2.492 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(F)c(F)c1F ZINC000657338121 414868869 /nfs/dbraw/zinc/86/88/69/414868869.db2.gz QKRAKFUWNMRXOT-UHFFFAOYSA-N 2 1 269.270 2.399 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657337575 414869270 /nfs/dbraw/zinc/86/92/70/414869270.db2.gz ZXKBHNXOCLXRCW-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657337575 414869274 /nfs/dbraw/zinc/86/92/74/414869274.db2.gz ZXKBHNXOCLXRCW-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP C[C@H]1C[C@H](NCC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000663497756 414972009 /nfs/dbraw/zinc/97/20/09/414972009.db2.gz JTJHBUCBUQSSMO-WEOZKBJRSA-N 2 1 299.462 2.381 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000653279912 414972361 /nfs/dbraw/zinc/97/23/61/414972361.db2.gz JQSGIJSCQSEFQE-NWDGAFQWSA-N 3 1 276.409 2.245 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CCN1Cc1cc(-n2ccnc2)cs1 ZINC000653279912 414972365 /nfs/dbraw/zinc/97/23/65/414972365.db2.gz JQSGIJSCQSEFQE-NWDGAFQWSA-N 3 1 276.409 2.245 20 0 CEADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1CC(C)(C)C1 ZINC000660805475 414982638 /nfs/dbraw/zinc/98/26/38/414982638.db2.gz CLQWYUJMHZHNNT-CQSZACIVSA-N 2 1 256.434 2.198 20 0 CEADMP C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466144 414961926 /nfs/dbraw/zinc/96/19/26/414961926.db2.gz ONZAAIRLSKACON-HOCLYGCPSA-N 2 1 288.439 2.119 20 0 CEADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C(C)C ZINC000663466915 414963391 /nfs/dbraw/zinc/96/33/91/414963391.db2.gz BGDWRADEJCBAII-HZPDHXFCSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466368 414964173 /nfs/dbraw/zinc/96/41/73/414964173.db2.gz RTZWFPQWJKMKEB-VNQPRFMTSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnccn1 ZINC000663469824 414966437 /nfs/dbraw/zinc/96/64/37/414966437.db2.gz RAAZQFWEWSDMJM-DZGCQCFKSA-N 2 1 274.412 2.249 20 0 CEADMP c1ccc(CN2CC[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000657805658 415085969 /nfs/dbraw/zinc/08/59/69/415085969.db2.gz DXKLFCFQNLJYIO-GUDVDZBRSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[NH+]2CC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000657805658 415085973 /nfs/dbraw/zinc/08/59/73/415085973.db2.gz DXKLFCFQNLJYIO-GUDVDZBRSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[NH+]2CC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000657805658 415085979 /nfs/dbraw/zinc/08/59/79/415085979.db2.gz DXKLFCFQNLJYIO-GUDVDZBRSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H]2CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000657805658 415085986 /nfs/dbraw/zinc/08/59/86/415085986.db2.gz DXKLFCFQNLJYIO-GUDVDZBRSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@@H]2CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000657805658 415085990 /nfs/dbraw/zinc/08/59/90/415085990.db2.gz DXKLFCFQNLJYIO-GUDVDZBRSA-N 2 1 299.462 2.477 20 0 CEADMP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)CN(C)CC ZINC000653556773 415031180 /nfs/dbraw/zinc/03/11/80/415031180.db2.gz ITQVOAKHGJXLNX-NVXWUHKLSA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)CN(C)CC ZINC000653556773 415031186 /nfs/dbraw/zinc/03/11/86/415031186.db2.gz ITQVOAKHGJXLNX-NVXWUHKLSA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000653556773 415031190 /nfs/dbraw/zinc/03/11/90/415031190.db2.gz ITQVOAKHGJXLNX-NVXWUHKLSA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000653556773 415031194 /nfs/dbraw/zinc/03/11/94/415031194.db2.gz ITQVOAKHGJXLNX-NVXWUHKLSA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@@H]1c2ccccc2CC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000653556773 415031198 /nfs/dbraw/zinc/03/11/98/415031198.db2.gz ITQVOAKHGJXLNX-NVXWUHKLSA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@@H]1c2ccccc2CC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000653556773 415031200 /nfs/dbraw/zinc/03/12/00/415031200.db2.gz ITQVOAKHGJXLNX-NVXWUHKLSA-N 2 1 276.424 2.308 20 0 CEADMP Cn1cc[nH+]c1[C@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663748304 415036962 /nfs/dbraw/zinc/03/69/62/415036962.db2.gz PSQFDZAKAQAIKQ-NSHDSACASA-N 2 1 267.336 2.290 20 0 CEADMP Cc1cc(CO)cc(N[C@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC000663749244 415037389 /nfs/dbraw/zinc/03/73/89/415037389.db2.gz PSTCBKUFKSVIBA-INIZCTEOSA-N 2 1 283.375 2.481 20 0 CEADMP Cc1cc(CO)cc(N[C@H]2CN(C)Cc3ccccc32)n1 ZINC000663749244 415037393 /nfs/dbraw/zinc/03/73/93/415037393.db2.gz PSTCBKUFKSVIBA-INIZCTEOSA-N 2 1 283.375 2.481 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CNC1(c2ccc(F)cc2)CCC1 ZINC000653577114 415039627 /nfs/dbraw/zinc/03/96/27/415039627.db2.gz CBWRBGUTPCMXIF-OAHLLOKOSA-N 2 1 280.387 2.107 20 0 CEADMP COC1([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000658028978 415160718 /nfs/dbraw/zinc/16/07/18/415160718.db2.gz MKFQHEHJAYUFEG-FUDCBSFHSA-N 2 1 252.402 2.159 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657842305 415102247 /nfs/dbraw/zinc/10/22/47/415102247.db2.gz ANNPTHWGDOKAGE-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCn2nccc21 ZINC000658043717 415171503 /nfs/dbraw/zinc/17/15/03/415171503.db2.gz RSARINRURFZGKF-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCn2nccc21 ZINC000658043717 415171513 /nfs/dbraw/zinc/17/15/13/415171513.db2.gz RSARINRURFZGKF-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CC(OC)C2)[C@@H](C)C1 ZINC000658061986 415181194 /nfs/dbraw/zinc/18/11/94/415181194.db2.gz QHMBFIQZKHDKRQ-VXGQWTEUSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cnn(C)c1 ZINC000044499633 175185410 /nfs/dbraw/zinc/18/54/10/175185410.db2.gz JCDQDXYPWDDZGC-GFCCVEGCSA-N 2 1 264.417 2.334 20 0 CEADMP CC(C)c1nc(C[NH+]2CCC(C[NH3+])CC2)cs1 ZINC000044514570 175189238 /nfs/dbraw/zinc/18/92/38/175189238.db2.gz QBNZDWCXZBDYDZ-UHFFFAOYSA-N 2 1 253.415 2.437 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044529638 175193968 /nfs/dbraw/zinc/19/39/68/175193968.db2.gz PVFKJAJCUAEJCR-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP Cc1cc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)nc(C2CC2)n1 ZINC000664245803 415242677 /nfs/dbraw/zinc/24/26/77/415242677.db2.gz XYPSSIKWONNQFQ-QWHCGFSZSA-N 2 1 290.411 2.184 20 0 CEADMP Cc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)nc(C2CC2)n1 ZINC000664245803 415242686 /nfs/dbraw/zinc/24/26/86/415242686.db2.gz XYPSSIKWONNQFQ-QWHCGFSZSA-N 2 1 290.411 2.184 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(F)F)[C@@H]2CCC[C@H]21 ZINC000658222488 415261096 /nfs/dbraw/zinc/26/10/96/415261096.db2.gz OTFLVRAPHIVOEE-RVMXOQNASA-N 2 1 258.356 2.494 20 0 CEADMP c1coc(CCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000658324993 415317297 /nfs/dbraw/zinc/31/72/97/415317297.db2.gz JHXIXGBFXSDSRR-HNNXBMFYSA-N 2 1 278.396 2.055 20 0 CEADMP O[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000658348845 415329878 /nfs/dbraw/zinc/32/98/78/415329878.db2.gz SEURJLDEOMNSRL-RYDOXABHSA-N 2 1 286.419 2.295 20 0 CEADMP CC(C)(C)OCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655742356 415429520 /nfs/dbraw/zinc/42/95/20/415429520.db2.gz QTTJDRHDMUDSFS-HNNXBMFYSA-N 2 1 284.444 2.035 20 0 CEADMP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655694104 415394800 /nfs/dbraw/zinc/39/48/00/415394800.db2.gz ZOYRIRFGOCRWCM-KRWDZBQOSA-N 2 1 274.408 2.338 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655695146 415395104 /nfs/dbraw/zinc/39/51/04/415395104.db2.gz RZZDRHLHFCECNE-AAEUAGOBSA-N 2 1 253.415 2.455 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655695148 415395239 /nfs/dbraw/zinc/39/52/39/415395239.db2.gz RZZDRHLHFCECNE-WCQYABFASA-N 2 1 253.415 2.455 20 0 CEADMP c1ccc2c(c1)C[C@H]2C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655709273 415400552 /nfs/dbraw/zinc/40/05/52/415400552.db2.gz VOJTXYUEMPSPCJ-RDJZCZTQSA-N 2 1 286.419 2.169 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCCO1 ZINC000655736654 415421805 /nfs/dbraw/zinc/42/18/05/415421805.db2.gz GRPGOSICHULXCN-ULQDDVLXSA-N 2 1 296.455 2.177 20 0 CEADMP C1=C(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000655737353 415422079 /nfs/dbraw/zinc/42/20/79/415422079.db2.gz MBTKZABEDLAQGI-MRXNPFEDSA-N 2 1 264.413 2.330 20 0 CEADMP CCCCOCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655680503 415381918 /nfs/dbraw/zinc/38/19/18/415381918.db2.gz NDCKMVTUHZKURW-MRXNPFEDSA-N 2 1 284.444 2.036 20 0 CEADMP CC(C)OCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655689948 415390497 /nfs/dbraw/zinc/39/04/97/415390497.db2.gz HTTMYGPZWWJBFT-INIZCTEOSA-N 2 1 284.444 2.035 20 0 CEADMP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655764147 415444514 /nfs/dbraw/zinc/44/45/14/415444514.db2.gz WLKGFDNJVFGGKT-IKGGRYGDSA-N 2 1 296.455 2.177 20 0 CEADMP CC[C@](C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)OC ZINC000655773305 415449953 /nfs/dbraw/zinc/44/99/53/415449953.db2.gz VHESFOZPRAQWEF-HZPDHXFCSA-N 2 1 284.444 2.035 20 0 CEADMP CC[C@@](C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)OC ZINC000655773303 415452132 /nfs/dbraw/zinc/45/21/32/415452132.db2.gz VHESFOZPRAQWEF-CVEARBPZSA-N 2 1 284.444 2.035 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000655776309 415455242 /nfs/dbraw/zinc/45/52/42/415455242.db2.gz FVNLBFREMLXCNW-BBWFWOEESA-N 2 1 296.455 2.177 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCn3ccnc32)C1 ZINC000655776405 415455639 /nfs/dbraw/zinc/45/56/39/415455639.db2.gz JDHDFMSVOBJPBU-UONOGXRCSA-N 2 1 262.401 2.040 20 0 CEADMP C[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000655787315 415468011 /nfs/dbraw/zinc/46/80/11/415468011.db2.gz VDUWKLQDRCIPSZ-LSDHHAIUSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1[nH+]ccn1CC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661862462 415504948 /nfs/dbraw/zinc/50/49/48/415504948.db2.gz HNJFKRNDPFDSPY-MRXNPFEDSA-N 2 1 277.412 2.473 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)CC[N@@H+]1C ZINC000655838341 415511295 /nfs/dbraw/zinc/51/12/95/415511295.db2.gz AIGJBDPJCDLSGJ-XJFOESAGSA-N 2 1 254.418 2.405 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)CC[N@H+]1C ZINC000655838341 415511300 /nfs/dbraw/zinc/51/13/00/415511300.db2.gz AIGJBDPJCDLSGJ-XJFOESAGSA-N 2 1 254.418 2.405 20 0 CEADMP C[C@H](N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cnn(C)c1 ZINC000655848613 415515164 /nfs/dbraw/zinc/51/51/64/415515164.db2.gz IVUMCCMTCYTXJG-CFVMTHIKSA-N 2 1 262.401 2.088 20 0 CEADMP C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cnn(C)c1 ZINC000655848613 415515169 /nfs/dbraw/zinc/51/51/69/415515169.db2.gz IVUMCCMTCYTXJG-CFVMTHIKSA-N 2 1 262.401 2.088 20 0 CEADMP CC(C)(CC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C1CC1 ZINC000655940844 415559334 /nfs/dbraw/zinc/55/93/34/415559334.db2.gz ZAQOLAUKZLQSKM-OAHLLOKOSA-N 2 1 291.443 2.200 20 0 CEADMP C(C[N@H+]1CCC[C@@H](OC2CCC2)C1)[C@H]1CC[NH2+]C1 ZINC000655947653 415559435 /nfs/dbraw/zinc/55/94/35/415559435.db2.gz USAZEFHPRLMRQH-UKRRQHHQSA-N 2 1 252.402 2.020 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3noc4ccccc43)C[C@@H]21 ZINC000655938253 415560526 /nfs/dbraw/zinc/56/05/26/415560526.db2.gz QDFUOIIVUPIYGU-AEGPPILISA-N 2 1 285.391 2.430 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659436623 415573250 /nfs/dbraw/zinc/57/32/50/415573250.db2.gz WJAFDRIPTDBIHX-CQSZACIVSA-N 2 1 298.475 2.020 20 0 CEADMP COc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000656194579 415628782 /nfs/dbraw/zinc/62/87/82/415628782.db2.gz LEEVFBFHKYFXAO-TZMCWYRMSA-N 2 1 276.380 2.251 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CCOc2ccc(O)cc2C1 ZINC000662103820 415629980 /nfs/dbraw/zinc/62/99/80/415629980.db2.gz PWYOZDNPNQSIST-OAHLLOKOSA-N 2 1 290.407 2.461 20 0 CEADMP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1nnc2n1CCCCC2 ZINC000656197521 415632749 /nfs/dbraw/zinc/63/27/49/415632749.db2.gz PXGPZBWHJCQKLY-IHRRRGAJSA-N 2 1 291.443 2.315 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(N)c2)[C@@H]2CCC[C@H]21 ZINC000665233029 415635440 /nfs/dbraw/zinc/63/54/40/415635440.db2.gz ZOYLFUZDGKHAFN-HRCADAONSA-N 2 1 259.397 2.231 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCOC1 ZINC000665257761 415652670 /nfs/dbraw/zinc/65/26/70/415652670.db2.gz TYHIHLPUMJQJGJ-JWZBEHFJSA-N 2 1 292.398 2.286 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000665257763 415654420 /nfs/dbraw/zinc/65/44/20/415654420.db2.gz TYHIHLPUMJQJGJ-ODVANORSSA-N 2 1 292.398 2.286 20 0 CEADMP C[C@H](c1ccccc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153772 415655989 /nfs/dbraw/zinc/65/59/89/415655989.db2.gz CBNINLVSFPKWTL-RHSMWYFYSA-N 2 1 274.408 2.279 20 0 CEADMP C[C@H](c1ccccc1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153772 415655996 /nfs/dbraw/zinc/65/59/96/415655996.db2.gz CBNINLVSFPKWTL-RHSMWYFYSA-N 2 1 274.408 2.279 20 0 CEADMP C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000656417097 415691273 /nfs/dbraw/zinc/69/12/73/415691273.db2.gz RNVDCFYYKOWHBL-JLZZUVOBSA-N 2 1 256.393 2.388 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](OC)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000665276188 415666030 /nfs/dbraw/zinc/66/60/30/415666030.db2.gz ZUGZCWMTWZGAAK-QLFBSQMISA-N 2 1 254.418 2.312 20 0 CEADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000665276787 415667506 /nfs/dbraw/zinc/66/75/06/415667506.db2.gz MTVNWPSJVDQUCW-CBCUQQMYSA-N 2 1 287.407 2.054 20 0 CEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCc1cnn(C)c1 ZINC000662175159 415671766 /nfs/dbraw/zinc/67/17/66/415671766.db2.gz RHVDPKHWEXFXRC-UHFFFAOYSA-N 2 1 266.433 2.063 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCc1cnn(C)c1 ZINC000662175159 415671770 /nfs/dbraw/zinc/67/17/70/415671770.db2.gz RHVDPKHWEXFXRC-UHFFFAOYSA-N 2 1 266.433 2.063 20 0 CEADMP CCc1ccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665291039 415678452 /nfs/dbraw/zinc/67/84/52/415678452.db2.gz SAPDNMQAHMICCL-LLVKDONJSA-N 2 1 286.379 2.054 20 0 CEADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)CCC2 ZINC000665292207 415681265 /nfs/dbraw/zinc/68/12/65/415681265.db2.gz VXJOPHRYKKFEAD-HNNXBMFYSA-N 2 1 298.390 2.117 20 0 CEADMP c1cn([C@@H]2CCC[N@H+](Cc3cnc(C4CC4)nc3)C2)cn1 ZINC000656431528 415695691 /nfs/dbraw/zinc/69/56/91/415695691.db2.gz GZADYAVZEZHUDZ-OAHLLOKOSA-N 2 1 283.379 2.388 20 0 CEADMP c1cn([C@@H]2CCCN(Cc3cnc(C4CC4)nc3)C2)cn1 ZINC000656431528 415695696 /nfs/dbraw/zinc/69/56/96/415695696.db2.gz GZADYAVZEZHUDZ-OAHLLOKOSA-N 2 1 283.379 2.388 20 0 CEADMP CCCN(Cc1[nH+]cc(C)c(OC)c1C)[C@H]1CC[NH2+]C1 ZINC000071332060 176125284 /nfs/dbraw/zinc/12/52/84/176125284.db2.gz HTEWUCUIXCJXJQ-AWEZNQCLSA-N 2 1 277.412 2.281 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnn3ccccc23)C1 ZINC000071373194 176138914 /nfs/dbraw/zinc/13/89/14/176138914.db2.gz KSLWDVGCHXGRIN-CQSZACIVSA-N 2 1 272.396 2.154 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnn3ccccc23)C1 ZINC000071373194 176138915 /nfs/dbraw/zinc/13/89/15/176138915.db2.gz KSLWDVGCHXGRIN-CQSZACIVSA-N 2 1 272.396 2.154 20 0 CEADMP C[C@H](C[NH2+]Cc1cnn2ccccc12)C[NH+]1CCCC1 ZINC000071373575 176139213 /nfs/dbraw/zinc/13/92/13/176139213.db2.gz ORJRBUMIAOGVKV-CQSZACIVSA-N 2 1 272.396 2.156 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C1CC1)C1CCCCC1 ZINC000659840616 415721599 /nfs/dbraw/zinc/72/15/99/415721599.db2.gz JWHCXBVJNOSNSK-INIZCTEOSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C1CC1)C1CCCCC1 ZINC000659840616 415721607 /nfs/dbraw/zinc/72/16/07/415721607.db2.gz JWHCXBVJNOSNSK-INIZCTEOSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C1CC1)C1CCCCC1 ZINC000659840616 415721611 /nfs/dbraw/zinc/72/16/11/415721611.db2.gz JWHCXBVJNOSNSK-INIZCTEOSA-N 2 1 268.445 2.485 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256347 415724967 /nfs/dbraw/zinc/72/49/67/415724967.db2.gz VEDBWONWYDMRDN-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC000656503973 415743190 /nfs/dbraw/zinc/74/31/90/415743190.db2.gz OFOQCWYRWFVRMW-CYBMUJFWSA-N 2 1 259.397 2.402 20 0 CEADMP CC1CCN(C(=[NH2+])NC[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000656508512 415744475 /nfs/dbraw/zinc/74/44/75/415744475.db2.gz JDZMUZSVOHLQNF-CQSZACIVSA-N 2 1 280.460 2.363 20 0 CEADMP Cc1cc(C)cc(C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662280223 415745458 /nfs/dbraw/zinc/74/54/58/415745458.db2.gz NBLZVTGTFIQJQD-INIZCTEOSA-N 2 1 274.408 2.256 20 0 CEADMP CO[C@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)C1CCC1 ZINC000662277984 415747259 /nfs/dbraw/zinc/74/72/59/415747259.db2.gz VQZGRALDJDBBSI-HUUCEWRRSA-N 2 1 254.418 2.299 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C)C1CCCCC1 ZINC000662283005 415747663 /nfs/dbraw/zinc/74/76/63/415747663.db2.gz FSLKBPOVEFAUAP-NWANDNLSSA-N 2 1 254.418 2.393 20 0 CEADMP C[NH2+]CCC[N@H+](C)CCSc1cccc(OC)c1 ZINC000662282834 415748691 /nfs/dbraw/zinc/74/86/91/415748691.db2.gz XNCHLDMYGUIODU-UHFFFAOYSA-N 2 1 268.426 2.329 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCSc1cccc(OC)c1 ZINC000662282834 415748696 /nfs/dbraw/zinc/74/86/96/415748696.db2.gz XNCHLDMYGUIODU-UHFFFAOYSA-N 2 1 268.426 2.329 20 0 CEADMP CC(C)c1ccc2c(c1)C[N@H+](CCOCC[NH3+])CC2 ZINC000662298285 415761326 /nfs/dbraw/zinc/76/13/26/415761326.db2.gz AZMRXXFGGZEUQF-UHFFFAOYSA-N 2 1 262.397 2.143 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000662312677 415772130 /nfs/dbraw/zinc/77/21/30/415772130.db2.gz YUANAWUIYFJUET-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662284182 415751068 /nfs/dbraw/zinc/75/10/68/415751068.db2.gz LXOZFJUEHADRRU-NEMWNAMBSA-N 2 1 278.440 2.393 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+])C1CCC1 ZINC000662284283 415752580 /nfs/dbraw/zinc/75/25/80/415752580.db2.gz GVEZFMRJRHNJIJ-NWANDNLSSA-N 2 1 254.418 2.251 20 0 CEADMP Cc1ccc(SCC[NH2+]C2(CO)CC[NH2+]CC2)cc1C ZINC000662286089 415752977 /nfs/dbraw/zinc/75/29/77/415752977.db2.gz UUUHUKZASBMIEM-UHFFFAOYSA-N 2 1 294.464 2.100 20 0 CEADMP Cc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)no1 ZINC000662291080 415756775 /nfs/dbraw/zinc/75/67/75/415756775.db2.gz OOBUXABNWBZMJO-AWEZNQCLSA-N 2 1 263.385 2.195 20 0 CEADMP Cc1nnsc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293831 415759296 /nfs/dbraw/zinc/75/92/96/415759296.db2.gz OKQOQQDIFSCBBE-CYBMUJFWSA-N 2 1 280.441 2.058 20 0 CEADMP CCCCC[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000662321230 415778620 /nfs/dbraw/zinc/77/86/20/415778620.db2.gz ZOHHKAIVOKYYPF-INIZCTEOSA-N 2 1 295.471 2.243 20 0 CEADMP CO[C@@H](CC(C)C)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325422 415781336 /nfs/dbraw/zinc/78/13/36/415781336.db2.gz GFBKALFSIFPOBX-HOTGVXAUSA-N 2 1 286.460 2.090 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C1CCCC1 ZINC000659926140 415784187 /nfs/dbraw/zinc/78/41/87/415784187.db2.gz LYCVPIBENGIODB-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCCc1ccccc1 ZINC000656696234 415819710 /nfs/dbraw/zinc/81/97/10/415819710.db2.gz ZFTJVLWIXWFUMW-KRWDZBQOSA-N 2 1 278.440 2.252 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCCc1ccccc1 ZINC000656696234 415819714 /nfs/dbraw/zinc/81/97/14/415819714.db2.gz ZFTJVLWIXWFUMW-KRWDZBQOSA-N 2 1 278.440 2.252 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCCc1ccccc1 ZINC000656696234 415819718 /nfs/dbraw/zinc/81/97/18/415819718.db2.gz ZFTJVLWIXWFUMW-KRWDZBQOSA-N 2 1 278.440 2.252 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@H](O)C2)C[C@@H]1C ZINC000659983635 415827172 /nfs/dbraw/zinc/82/71/72/415827172.db2.gz RMNMOAWPNRFVCX-FZKCQIBNSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC[C@H](O)C2)C[C@@H]1C ZINC000659983635 415827177 /nfs/dbraw/zinc/82/71/77/415827177.db2.gz RMNMOAWPNRFVCX-FZKCQIBNSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC[C@H](O)C2)C[C@@H]1C ZINC000659983635 415827184 /nfs/dbraw/zinc/82/71/84/415827184.db2.gz RMNMOAWPNRFVCX-FZKCQIBNSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000660215972 415928624 /nfs/dbraw/zinc/92/86/24/415928624.db2.gz YKWWJOBNVPXFQX-MSOLQXFVSA-N 2 1 290.451 2.298 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000662621488 415908782 /nfs/dbraw/zinc/90/87/82/415908782.db2.gz IAGOWUILJQEGHN-CQSZACIVSA-N 2 1 295.471 2.275 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000660215975 415928144 /nfs/dbraw/zinc/92/81/44/415928144.db2.gz YKWWJOBNVPXFQX-ZWKOTPCHSA-N 2 1 290.451 2.298 20 0 CEADMP c1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656786942 415860990 /nfs/dbraw/zinc/86/09/90/415860990.db2.gz XXSORRASCRNPCA-OAHLLOKOSA-N 2 1 259.397 2.293 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CC2([NH3+])CCCC2)o1 ZINC000656789717 415863795 /nfs/dbraw/zinc/86/37/95/415863795.db2.gz WHCWZXRWHKLIQR-UHFFFAOYSA-N 2 1 274.368 2.339 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000656788778 415864210 /nfs/dbraw/zinc/86/42/10/415864210.db2.gz YXZXAJPIUHBNIU-UHFFFAOYSA-N 2 1 261.369 2.006 20 0 CEADMP CCn1cncc1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000417933233 227225047 /nfs/dbraw/zinc/22/50/47/227225047.db2.gz NZBQLEICXYJASO-CQSZACIVSA-N 2 1 266.433 2.359 20 0 CEADMP C[C@H](C(=O)NC(C)(C)CCC[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000665922396 419477311 /nfs/dbraw/zinc/47/73/11/419477311.db2.gz JVKXLFXUZYEBSD-QLFBSQMISA-N 2 1 297.487 2.484 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1cnc2ccccn12)C1CCCCC1 ZINC000666801085 419433711 /nfs/dbraw/zinc/43/37/11/419433711.db2.gz KGAXWFQHURHVFD-OAHLLOKOSA-N 2 1 272.396 2.332 20 0 CEADMP COc1nc2ccccc2cc1C[NH2+][C@@H](C)CC[NH3+] ZINC000666832331 419443326 /nfs/dbraw/zinc/44/33/26/419443326.db2.gz KLVGOIQSWIZMCU-NSHDSACASA-N 2 1 259.353 2.070 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2nccc3ccccc32)CC[NH2+]1 ZINC000666873225 419452150 /nfs/dbraw/zinc/45/21/50/419452150.db2.gz INFILROTQMIZLR-GXTWGEPZSA-N 2 1 255.365 2.465 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)Nc2c(C)ccnc2C)C1 ZINC000667060789 419530721 /nfs/dbraw/zinc/53/07/21/419530721.db2.gz AJURVTQLIRBXIF-CYBMUJFWSA-N 2 1 276.384 2.304 20 0 CEADMP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cc12 ZINC000666998308 419509063 /nfs/dbraw/zinc/50/90/63/419509063.db2.gz NHCOWQQNFRUCAQ-CQSZACIVSA-N 2 1 299.422 2.041 20 0 CEADMP C[NH+](C)CCC1CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000667543507 419705542 /nfs/dbraw/zinc/70/55/42/419705542.db2.gz BDDHZJVAGYKHHY-UHFFFAOYSA-N 2 1 291.443 2.167 20 0 CEADMP C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667649588 419748042 /nfs/dbraw/zinc/74/80/42/419748042.db2.gz XMJUEBHOOIJBEV-ZFWWWQNUSA-N 2 1 286.379 2.003 20 0 CEADMP C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667649588 419748049 /nfs/dbraw/zinc/74/80/49/419748049.db2.gz XMJUEBHOOIJBEV-ZFWWWQNUSA-N 2 1 286.379 2.003 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2ccnn2CC2CC2)[C@@H](C)C1 ZINC000667666159 419765602 /nfs/dbraw/zinc/76/56/02/419765602.db2.gz DORSRUUBXLQIGD-YOEHRIQHSA-N 2 1 290.455 2.455 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc3cccnc3o2)CC1 ZINC000449251441 260314866 /nfs/dbraw/zinc/31/48/66/260314866.db2.gz OBSGFSBHGSWNBV-UHFFFAOYSA-N 2 1 257.337 2.179 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCC23CCC3)CC1(C)C ZINC000449302486 260379749 /nfs/dbraw/zinc/37/97/49/260379749.db2.gz KFUSMSOLLLIABU-HNNXBMFYSA-N 2 1 279.472 2.325 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000521029708 262173336 /nfs/dbraw/zinc/17/33/36/262173336.db2.gz NQQQSHUEQAIUHU-NUJGCVRESA-N 2 1 290.451 2.473 20 0 CEADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000453312069 263228079 /nfs/dbraw/zinc/22/80/79/263228079.db2.gz UCOLCGRSNOFFMW-MJBXVCDLSA-N 2 1 279.453 2.456 20 0 CEADMP CCc1ncc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)o1 ZINC000453390530 263261135 /nfs/dbraw/zinc/26/11/35/263261135.db2.gz YEQKEXSUNRIPPN-NTZNESFSSA-N 2 1 251.374 2.055 20 0 CEADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)cc2)[C@H]1C[NH3+] ZINC000430551401 263262752 /nfs/dbraw/zinc/26/27/52/263262752.db2.gz HXIKIKVHDFEBDS-WFASDCNBSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)[C@H]1C[NH3+] ZINC000430551401 263262754 /nfs/dbraw/zinc/26/27/54/263262754.db2.gz HXIKIKVHDFEBDS-WFASDCNBSA-N 2 1 293.386 2.214 20 0 CEADMP C[N@H+]1CC[C@H](NCC[NH+]2CCCC2(C)C)[C@@H]2CCC[C@H]21 ZINC000453395916 263263688 /nfs/dbraw/zinc/26/36/88/263263688.db2.gz KAOUJLZUXBXCIA-HRCADAONSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+]1CC[C@H](NCC[N@@H+]2CCCC2(C)C)[C@@H]2CCC[C@H]21 ZINC000453395916 263263689 /nfs/dbraw/zinc/26/36/89/263263689.db2.gz KAOUJLZUXBXCIA-HRCADAONSA-N 2 1 279.472 2.323 20 0 CEADMP CN(C)c1ccncc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453594314 263277795 /nfs/dbraw/zinc/27/77/95/263277795.db2.gz HVBQKGVPLGJKFO-UHFFFAOYSA-N 2 1 276.428 2.112 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453594314 263277797 /nfs/dbraw/zinc/27/77/97/263277797.db2.gz HVBQKGVPLGJKFO-UHFFFAOYSA-N 3 1 276.428 2.112 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453594314 263277800 /nfs/dbraw/zinc/27/78/00/263277800.db2.gz HVBQKGVPLGJKFO-UHFFFAOYSA-N 3 1 276.428 2.112 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430571886 263298941 /nfs/dbraw/zinc/29/89/41/263298941.db2.gz DLRJRJMMSWKIRY-FXUDXRNXSA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430571886 263298942 /nfs/dbraw/zinc/29/89/42/263298942.db2.gz DLRJRJMMSWKIRY-FXUDXRNXSA-N 2 1 295.471 2.225 20 0 CEADMP C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)CC(C)(C)C[NH3+] ZINC000430579542 263304445 /nfs/dbraw/zinc/30/44/45/263304445.db2.gz QTWZGEPTKPJOAW-UHFFFAOYSA-N 2 1 299.365 2.210 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cn1 ZINC000425941405 263960087 /nfs/dbraw/zinc/96/00/87/263960087.db2.gz DBDKOJVOIXKBKR-QWHCGFSZSA-N 2 1 252.406 2.312 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+]CCOC(F)(F)F)c2ccccc21 ZINC000398194375 270356577 /nfs/dbraw/zinc/35/65/77/270356577.db2.gz TUSZBYDDFYLDIW-WDEREUQCSA-N 2 1 260.259 2.257 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000518995622 265285083 /nfs/dbraw/zinc/28/50/83/265285083.db2.gz CXIMXNFHGHLKFU-ZFWWWQNUSA-N 2 1 262.397 2.439 20 0 CEADMP Cn1cncc1CCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000518995797 265286652 /nfs/dbraw/zinc/28/66/52/265286652.db2.gz JDUYEWDMYMJXAW-OAHLLOKOSA-N 2 1 278.444 2.159 20 0 CEADMP Cn1cncc1CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000518995797 265286656 /nfs/dbraw/zinc/28/66/56/265286656.db2.gz JDUYEWDMYMJXAW-OAHLLOKOSA-N 2 1 278.444 2.159 20 0 CEADMP Cn1cncc1CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000518995797 265286659 /nfs/dbraw/zinc/28/66/59/265286659.db2.gz JDUYEWDMYMJXAW-OAHLLOKOSA-N 2 1 278.444 2.159 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CCCO2)C1 ZINC000189499764 270262828 /nfs/dbraw/zinc/26/28/28/270262828.db2.gz DFUHBPBXAFXWHH-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000189499764 270262831 /nfs/dbraw/zinc/26/28/31/270262831.db2.gz DFUHBPBXAFXWHH-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000189499764 270262833 /nfs/dbraw/zinc/26/28/33/270262833.db2.gz DFUHBPBXAFXWHH-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000221686152 270308553 /nfs/dbraw/zinc/30/85/53/270308553.db2.gz JLTZGJNMLBGANA-XJKSGUPXSA-N 2 1 262.397 2.168 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCc3ccncc3)C[C@H]21 ZINC000420302431 270510556 /nfs/dbraw/zinc/51/05/56/270510556.db2.gz GCCUAZHYEOMLCY-ARFHVFGLSA-N 2 1 259.397 2.073 20 0 CEADMP CC(C)CC[NH+]1CCC(CN[C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422834504 270786945 /nfs/dbraw/zinc/78/69/45/270786945.db2.gz HPGJKDRJRMBCIR-DOTOQJQBSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422868103 270795367 /nfs/dbraw/zinc/79/53/67/270795367.db2.gz UKUIMDXTHXARAG-QXSJWSMHSA-N 2 1 267.461 2.227 20 0 CEADMP CC[C@H]([NH2+][C@H]1CCC[C@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000422950925 270805578 /nfs/dbraw/zinc/80/55/78/270805578.db2.gz XBSGRSZSIBDARC-RDBSUJKOSA-N 2 1 276.380 2.378 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000423122234 270842607 /nfs/dbraw/zinc/84/26/07/270842607.db2.gz BYHUADDHOROEET-GZBFAFLISA-N 2 1 277.387 2.135 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000423279726 270887455 /nfs/dbraw/zinc/88/74/55/270887455.db2.gz SXOVZMNCZBBGIB-NWDGAFQWSA-N 2 1 293.411 2.160 20 0 CEADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)s1 ZINC000423325101 270896815 /nfs/dbraw/zinc/89/68/15/270896815.db2.gz PZZNNSVAHJPVIJ-JOYOIKCWSA-N 2 1 283.441 2.028 20 0 CEADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423336658 270899304 /nfs/dbraw/zinc/89/93/04/270899304.db2.gz XWZYPJHZWCFRMF-WBMJQRKESA-N 2 1 278.396 2.100 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423350595 270902645 /nfs/dbraw/zinc/90/26/45/270902645.db2.gz ZVBIDECSRXXRJV-VQIMIIECSA-N 3 1 299.462 2.406 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423350595 270902646 /nfs/dbraw/zinc/90/26/46/270902646.db2.gz ZVBIDECSRXXRJV-VQIMIIECSA-N 2 1 299.462 2.406 20 0 CEADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1nc2ccccc2n1C ZINC000423391786 270908435 /nfs/dbraw/zinc/90/84/35/270908435.db2.gz PSSMUHJDMMTAMF-XQQFMLRXSA-N 2 1 272.396 2.494 20 0 CEADMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cnn1C(C)C ZINC000423395798 270910115 /nfs/dbraw/zinc/91/01/15/270910115.db2.gz NOHDIVIUMSCTLA-HUBLWGQQSA-N 2 1 264.417 2.421 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000423441228 270912570 /nfs/dbraw/zinc/91/25/70/270912570.db2.gz BDCOGXNMFUWNRP-MFKMUULPSA-N 2 1 252.333 2.149 20 0 CEADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])c1 ZINC000424135705 271021688 /nfs/dbraw/zinc/02/16/88/271021688.db2.gz PJKJRQYEYLOLGY-CABCVRRESA-N 2 1 298.390 2.341 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C[C@@H](C[NH3+])c2ccc(F)cc2)CC[N@H+]1C ZINC000424305481 271042714 /nfs/dbraw/zinc/04/27/14/271042714.db2.gz SLAVYTDBRFLMRU-UNEWFSDZSA-N 2 1 293.430 2.283 20 0 CEADMP C([NH2+][C@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)[C@@H]1C[C@H]1C1CCC1 ZINC000424375255 271051390 /nfs/dbraw/zinc/05/13/90/271051390.db2.gz KBLQQMMFLYWCBI-QUSNUVHPSA-N 2 1 278.440 2.169 20 0 CEADMP CC(C)c1nnc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000426310006 271211360 /nfs/dbraw/zinc/21/13/60/271211360.db2.gz MBUAQCXHFNNRQO-OLZOCXBDSA-N 2 1 294.468 2.420 20 0 CEADMP C[C@@H]1C[C@H]1[N@H+]1CCN(CC[NH+]2CCC(C)CC2)C[C@H](C)C1 ZINC000428999587 271303716 /nfs/dbraw/zinc/30/37/16/271303716.db2.gz SHQAKJADBBEZLZ-RCCFBDPRSA-N 2 1 293.499 2.380 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429231237 271315470 /nfs/dbraw/zinc/31/54/70/271315470.db2.gz NZVRJJXLWFLQSA-HNNXBMFYSA-N 2 1 285.391 2.434 20 0 CEADMP C[N@H+](CC(C)(C)C[NH3+])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000430548944 271387762 /nfs/dbraw/zinc/38/77/62/271387762.db2.gz WVCJWVVNWLPXOL-OAHLLOKOSA-N 2 1 289.423 2.099 20 0 CEADMP C[N@@H+](CC(C)(C)C[NH3+])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000430548944 271387767 /nfs/dbraw/zinc/38/77/67/271387767.db2.gz WVCJWVVNWLPXOL-OAHLLOKOSA-N 2 1 289.423 2.099 20 0 CEADMP C[NH+]1CCC([C@H]2CCN(c3[nH+]cnc4[nH]ccc43)C2)CC1 ZINC000270059101 273871954 /nfs/dbraw/zinc/87/19/54/273871954.db2.gz FBPODQDQMHDHNZ-ZDUSSCGKSA-N 2 1 285.395 2.126 20 0 CEADMP COc1c(C)cnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000252839777 274088987 /nfs/dbraw/zinc/08/89/87/274088987.db2.gz BEGNSVXNGYRLGX-SOUVJXGZSA-N 2 1 289.423 2.266 20 0 CEADMP COc1c(C)cnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000125325491 274089277 /nfs/dbraw/zinc/08/92/77/274089277.db2.gz BEGNSVXNGYRLGX-ZNMIVQPWSA-N 2 1 289.423 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000271587794 274340584 /nfs/dbraw/zinc/34/05/84/274340584.db2.gz XRQQEHALFBMMNL-BQGCOEIASA-N 2 1 294.414 2.047 20 0 CEADMP O[C@@H](C[NH2+]Cc1cccc2ccccc21)C[NH+]1CCCC1 ZINC000050871776 275052337 /nfs/dbraw/zinc/05/23/37/275052337.db2.gz JJYYZSZZZJEDMH-KRWDZBQOSA-N 2 1 284.403 2.386 20 0 CEADMP O[C@H](C[NH2+][C@H]1CCCc2cc(F)ccc21)C[NH+]1CCCC1 ZINC000271728097 275058050 /nfs/dbraw/zinc/05/80/50/275058050.db2.gz RSAHUBSMCABWPT-WBVHZDCISA-N 2 1 292.398 2.249 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCCS1 ZINC000310256319 275394681 /nfs/dbraw/zinc/39/46/81/275394681.db2.gz LGFKGNSBSITGCU-CQSZACIVSA-N 2 1 254.443 2.489 20 0 CEADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000358281944 276084187 /nfs/dbraw/zinc/08/41/87/276084187.db2.gz DNBQJLFGWZNNFX-FVQBIDKESA-N 2 1 290.455 2.394 20 0 CEADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000358281944 276084189 /nfs/dbraw/zinc/08/41/89/276084189.db2.gz DNBQJLFGWZNNFX-FVQBIDKESA-N 2 1 290.455 2.394 20 0 CEADMP CC[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccc(OC)cc1 ZINC000414683295 276122991 /nfs/dbraw/zinc/12/29/91/276122991.db2.gz ZWQLNGDKJWWTAH-ZDUSSCGKSA-N 2 1 250.386 2.297 20 0 CEADMP CCC1CCC([N@H+](C)C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000311799655 276221980 /nfs/dbraw/zinc/22/19/80/276221980.db2.gz ZKJIBLBTTFVPHS-XUJLQICISA-N 2 1 268.445 2.342 20 0 CEADMP CCC1CCC([N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000311799655 276221981 /nfs/dbraw/zinc/22/19/81/276221981.db2.gz ZKJIBLBTTFVPHS-XUJLQICISA-N 2 1 268.445 2.342 20 0 CEADMP CCC1CCC([NH+](C)C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000311799655 276221984 /nfs/dbraw/zinc/22/19/84/276221984.db2.gz ZKJIBLBTTFVPHS-XUJLQICISA-N 2 1 268.445 2.342 20 0 CEADMP CCC1CCC([NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000311799655 276221985 /nfs/dbraw/zinc/22/19/85/276221985.db2.gz ZKJIBLBTTFVPHS-XUJLQICISA-N 2 1 268.445 2.342 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000353522386 276228054 /nfs/dbraw/zinc/22/80/54/276228054.db2.gz UJSQVCBUHJSGDZ-LBDPXKHJSA-N 3 1 267.461 2.179 20 0 CEADMP CCN1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000353522386 276228055 /nfs/dbraw/zinc/22/80/55/276228055.db2.gz UJSQVCBUHJSGDZ-LBDPXKHJSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)[C@H](C)C1 ZINC000248791770 276230719 /nfs/dbraw/zinc/23/07/19/276230719.db2.gz IVVQAFJQTZYUSR-DMRZNYOFSA-N 2 1 266.429 2.264 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000019914740 276325954 /nfs/dbraw/zinc/32/59/54/276325954.db2.gz ILJTWGMTMVIOBB-AWEZNQCLSA-N 3 1 255.450 2.181 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cccnc3CC2)CC1 ZINC000335020543 276360501 /nfs/dbraw/zinc/36/05/01/276360501.db2.gz FRGKZCTUKYBWKP-OAHLLOKOSA-N 2 1 273.424 2.403 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@H](C)C1 ZINC000415028763 276396439 /nfs/dbraw/zinc/39/64/39/276396439.db2.gz ZHIKWJQXFHGTLU-KLHDSHLOSA-N 3 1 267.461 2.071 20 0 CEADMP CCN1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@H](C)C1 ZINC000415028763 276396441 /nfs/dbraw/zinc/39/64/41/276396441.db2.gz ZHIKWJQXFHGTLU-KLHDSHLOSA-N 2 1 267.461 2.071 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2OC(F)F)CC1 ZINC000337559725 276888204 /nfs/dbraw/zinc/88/82/04/276888204.db2.gz ULYCQICTCTZJHW-VXGBXAGGSA-N 2 1 262.344 2.221 20 0 CEADMP CC(=O)NCC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000347661483 277034290 /nfs/dbraw/zinc/03/42/90/277034290.db2.gz YQPRNSJPWMRBPS-QGZVFWFLSA-N 2 1 295.471 2.101 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCSC3)CC[C@@H]21 ZINC000375757051 277068825 /nfs/dbraw/zinc/06/88/25/277068825.db2.gz ITZQLDIOVNDZDB-MJBXVCDLSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCSC3)CC[C@@H]21 ZINC000375757051 277068826 /nfs/dbraw/zinc/06/88/26/277068826.db2.gz ITZQLDIOVNDZDB-MJBXVCDLSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCSC3)CC[C@@H]21 ZINC000375757051 277068827 /nfs/dbraw/zinc/06/88/27/277068827.db2.gz ITZQLDIOVNDZDB-MJBXVCDLSA-N 2 1 254.443 2.156 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)C3CCCCC3)C2)C1 ZINC000334385630 277071989 /nfs/dbraw/zinc/07/19/89/277071989.db2.gz NIMMJGVICYIGHP-IAGOWNOFSA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)C3CCCCC3)C2)C1 ZINC000334385630 277071991 /nfs/dbraw/zinc/07/19/91/277071991.db2.gz NIMMJGVICYIGHP-IAGOWNOFSA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)C3CCCCC3)C2)C1 ZINC000334385630 277071992 /nfs/dbraw/zinc/07/19/92/277071992.db2.gz NIMMJGVICYIGHP-IAGOWNOFSA-N 2 1 280.456 2.345 20 0 CEADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000414762738 277172449 /nfs/dbraw/zinc/17/24/49/277172449.db2.gz WPICBTHFIHLPSF-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000123034166 277203466 /nfs/dbraw/zinc/20/34/66/277203466.db2.gz QZCXBUNPNQKLNS-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000336807016 277253971 /nfs/dbraw/zinc/25/39/71/277253971.db2.gz FBIYUEJORYGQDT-LSDHHAIUSA-N 2 1 268.445 2.201 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000336787245 277306576 /nfs/dbraw/zinc/30/65/76/277306576.db2.gz DOSMVHUBGLKUDE-ZIAGYGMSSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC[NH2+]1 ZINC000414763723 278012060 /nfs/dbraw/zinc/01/20/60/278012060.db2.gz XYRVATZCJFPDCT-APIJFGDWSA-N 2 1 268.445 2.103 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183188124 278275305 /nfs/dbraw/zinc/27/53/05/278275305.db2.gz RJBPVMUAYJKCCT-DSJMHWKBSA-N 2 1 266.429 2.406 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000176085287 279039513 /nfs/dbraw/zinc/03/95/13/279039513.db2.gz PTOGDNUSRQKVBO-QKPAOTATSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000176085287 279039514 /nfs/dbraw/zinc/03/95/14/279039514.db2.gz PTOGDNUSRQKVBO-QKPAOTATSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000176085287 279039516 /nfs/dbraw/zinc/03/95/16/279039516.db2.gz PTOGDNUSRQKVBO-QKPAOTATSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1C[N@H+](C)C[C@H]1C ZINC000361926763 279121460 /nfs/dbraw/zinc/12/14/60/279121460.db2.gz RMFQHOBDCVPTOZ-QZWWFDLISA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1C[N@@H+](C)C[C@H]1C ZINC000361926763 279121461 /nfs/dbraw/zinc/12/14/61/279121461.db2.gz RMFQHOBDCVPTOZ-QZWWFDLISA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC000348320051 279134410 /nfs/dbraw/zinc/13/44/10/279134410.db2.gz QGWMMHOXVPIKIJ-HZPDHXFCSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1c2ccccc2O[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000368289886 279139101 /nfs/dbraw/zinc/13/91/01/279139101.db2.gz MCXOXUHLYDFLAO-MLGOLLRUSA-N 2 1 260.381 2.235 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000414855845 279142290 /nfs/dbraw/zinc/14/22/90/279142290.db2.gz XLXKSNXHNCJEKW-HUUCEWRRSA-N 2 1 283.460 2.131 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000414757492 279179674 /nfs/dbraw/zinc/17/96/74/279179674.db2.gz LFNBRSGSTYZWCR-ZWKOTPCHSA-N 2 1 290.451 2.429 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cn[nH]c1 ZINC000261561315 279367910 /nfs/dbraw/zinc/36/79/10/279367910.db2.gz FUUQVGKRHVOUDE-BZPMIXESSA-N 2 1 250.390 2.371 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CCO1 ZINC000252739782 280032555 /nfs/dbraw/zinc/03/25/55/280032555.db2.gz KVZUXVZVPTZUGP-TUVASFSCSA-N 2 1 254.418 2.120 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCO1 ZINC000252739782 280032556 /nfs/dbraw/zinc/03/25/56/280032556.db2.gz KVZUXVZVPTZUGP-TUVASFSCSA-N 2 1 254.418 2.120 20 0 CEADMP CC1CC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000184402997 280116708 /nfs/dbraw/zinc/11/67/08/280116708.db2.gz PITUYJWZFLOUOX-UHFFFAOYSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C)[NH+]1CCCCC1 ZINC000356909713 280150496 /nfs/dbraw/zinc/15/04/96/280150496.db2.gz VWFIKSHPRLYPGC-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C)[NH+]1CCCCC1 ZINC000356909713 280150500 /nfs/dbraw/zinc/15/05/00/280150500.db2.gz VWFIKSHPRLYPGC-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP Cc1nccn1CCC[N@H+](C)CC[C@@H]1CCCO1 ZINC000191047570 280163448 /nfs/dbraw/zinc/16/34/48/280163448.db2.gz QBVKQFQZRBXDGN-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@@H]1CCCO1 ZINC000191047570 280163451 /nfs/dbraw/zinc/16/34/51/280163451.db2.gz QBVKQFQZRBXDGN-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@@H]1CCCO1 ZINC000191047570 280163454 /nfs/dbraw/zinc/16/34/54/280163454.db2.gz QBVKQFQZRBXDGN-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000357383566 280180096 /nfs/dbraw/zinc/18/00/96/280180096.db2.gz DALXIUCKKQFLIT-ARFHVFGLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1CCOC1(C)C)[NH+]1CCCC1 ZINC000328403730 280254531 /nfs/dbraw/zinc/25/45/31/280254531.db2.gz SKTMSIPSQFQKHI-UONOGXRCSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351628419 280262160 /nfs/dbraw/zinc/26/21/60/280262160.db2.gz MCGRFULXUOMBMJ-KBMXLJTQSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351628419 280262164 /nfs/dbraw/zinc/26/21/64/280262164.db2.gz MCGRFULXUOMBMJ-KBMXLJTQSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351628419 280262166 /nfs/dbraw/zinc/26/21/66/280262166.db2.gz MCGRFULXUOMBMJ-KBMXLJTQSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351628419 280262169 /nfs/dbraw/zinc/26/21/69/280262169.db2.gz MCGRFULXUOMBMJ-KBMXLJTQSA-N 2 1 268.445 2.342 20 0 CEADMP Cc1cn[nH]c1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000352827277 280283286 /nfs/dbraw/zinc/28/32/86/280283286.db2.gz XYMWCONNRKPRSP-CQSZACIVSA-N 2 1 264.417 2.462 20 0 CEADMP Cc1c[nH]nc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000352827277 280283288 /nfs/dbraw/zinc/28/32/88/280283288.db2.gz XYMWCONNRKPRSP-CQSZACIVSA-N 2 1 264.417 2.462 20 0 CEADMP Cc1c[nH]nc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000352827277 280283290 /nfs/dbraw/zinc/28/32/90/280283290.db2.gz XYMWCONNRKPRSP-CQSZACIVSA-N 2 1 264.417 2.462 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CCO)CC(C)C)[C@@H](C)C1 ZINC000246865125 280312685 /nfs/dbraw/zinc/31/26/85/280312685.db2.gz CRNQCAJLAHONJA-JYJNAYRXSA-N 2 1 270.461 2.351 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)[C@@H](C)C1 ZINC000246956010 280315616 /nfs/dbraw/zinc/31/56/16/280315616.db2.gz INZMBTMRXULOFJ-CWRNSKLLSA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@@H]1CN(CCC[N@@H+]2C[C@@H](C)O[C@H](CC)C2)C[C@H](C)O1 ZINC000247162284 280321989 /nfs/dbraw/zinc/32/19/89/280321989.db2.gz ZNSPMDAJBFTXSW-YYIAUSFCSA-N 2 1 298.471 2.375 20 0 CEADMP CC[C@@H]1CN(CCC[N@H+]2C[C@@H](C)O[C@H](CC)C2)C[C@H](C)O1 ZINC000247162284 280321992 /nfs/dbraw/zinc/32/19/92/280321992.db2.gz ZNSPMDAJBFTXSW-YYIAUSFCSA-N 2 1 298.471 2.375 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCCn2ccnc2C)[C@@H](C)C1 ZINC000248183216 280343115 /nfs/dbraw/zinc/34/31/15/280343115.db2.gz WUQLDARMBJGLLQ-HOCLYGCPSA-N 2 1 278.444 2.292 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000248183216 280343116 /nfs/dbraw/zinc/34/31/16/280343116.db2.gz WUQLDARMBJGLLQ-HOCLYGCPSA-N 3 1 278.444 2.292 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000248183216 280343117 /nfs/dbraw/zinc/34/31/17/280343117.db2.gz WUQLDARMBJGLLQ-HOCLYGCPSA-N 3 1 278.444 2.292 20 0 CEADMP CC[C@@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](C)CC ZINC000248730288 280361173 /nfs/dbraw/zinc/36/11/73/280361173.db2.gz KFCNEMUQTLHBDV-FICVDOATSA-N 2 1 258.450 2.303 20 0 CEADMP CC[C@@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)CC ZINC000248730288 280361174 /nfs/dbraw/zinc/36/11/74/280361174.db2.gz KFCNEMUQTLHBDV-FICVDOATSA-N 2 1 258.450 2.303 20 0 CEADMP CC[C@@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)CC ZINC000248730288 280361175 /nfs/dbraw/zinc/36/11/75/280361175.db2.gz KFCNEMUQTLHBDV-FICVDOATSA-N 2 1 258.450 2.303 20 0 CEADMP COC(=O)C1CCC([NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000249039948 280380476 /nfs/dbraw/zinc/38/04/76/280380476.db2.gz MZNJSMXQGGZVKG-FXQLRMTLSA-N 2 1 296.455 2.428 20 0 CEADMP COC(=O)C1CCC([NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000249039948 280380478 /nfs/dbraw/zinc/38/04/78/280380478.db2.gz MZNJSMXQGGZVKG-FXQLRMTLSA-N 2 1 296.455 2.428 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@@H](C)[C@H]3CCOC3)CC2)[nH+]c1 ZINC000163465843 280864340 /nfs/dbraw/zinc/86/43/40/280864340.db2.gz RLMRMCVKLVLLEA-GJZGRUSLSA-N 2 1 289.423 2.373 20 0 CEADMP COC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000422920035 280965711 /nfs/dbraw/zinc/96/57/11/280965711.db2.gz LJPJMDBQHKXYOT-GJZGRUSLSA-N 2 1 266.360 2.245 20 0 CEADMP Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422969958 280978077 /nfs/dbraw/zinc/97/80/77/280978077.db2.gz VKNFRPDCOVATPT-CWSCBRNRSA-N 2 1 251.374 2.125 20 0 CEADMP c1cc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc2c1OCO2 ZINC000423028405 280999765 /nfs/dbraw/zinc/99/97/65/280999765.db2.gz QNASPXNGRZCISU-PBWFPOADSA-N 2 1 286.375 2.277 20 0 CEADMP C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCCCC1 ZINC000423031159 281001824 /nfs/dbraw/zinc/00/18/24/281001824.db2.gz KQKSOGDZAWYXDN-LSVZVQIISA-N 3 1 265.445 2.124 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000423162626 281020622 /nfs/dbraw/zinc/02/06/22/281020622.db2.gz UHNOUUBSMQTRST-DTWKUNHWSA-N 2 1 261.291 2.316 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1[NH2+]CCCC1(C)C ZINC000423402056 281028863 /nfs/dbraw/zinc/02/88/63/281028863.db2.gz YEFTWHCXGPVFIW-APIJFGDWSA-N 2 1 267.461 2.083 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423404622 281030536 /nfs/dbraw/zinc/03/05/36/281030536.db2.gz SOPVUIYRCKTCJH-CHWSQXEVSA-N 2 1 277.412 2.166 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423434691 281040457 /nfs/dbraw/zinc/04/04/57/281040457.db2.gz DHVQMSHWCWUIDF-VWYCJHECSA-N 2 1 275.396 2.303 20 0 CEADMP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000423437290 281041889 /nfs/dbraw/zinc/04/18/89/281041889.db2.gz UFRLJSQWBMSYGX-RQJABVFESA-N 2 1 293.208 2.244 20 0 CEADMP Fc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CC2)cc1 ZINC000423493954 281054140 /nfs/dbraw/zinc/05/41/40/281054140.db2.gz RKZOBXDYUNOPTJ-JKSUJKDBSA-N 2 1 278.371 2.245 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000423529183 281063027 /nfs/dbraw/zinc/06/30/27/281063027.db2.gz XFCPQZSUDDLBHA-QZTJIDSGSA-N 2 1 287.451 2.411 20 0 CEADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCC[NH+]1CCCC1 ZINC000363448412 288298035 /nfs/dbraw/zinc/29/80/35/288298035.db2.gz FZHDWXICALMSHS-CVEARBPZSA-N 2 1 265.445 2.031 20 0 CEADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@@H]3[NH3+])c2C1 ZINC000424160180 281125524 /nfs/dbraw/zinc/12/55/24/281125524.db2.gz TVTPVEJGRZRTAE-HIFRSBDPSA-N 2 1 287.407 2.334 20 0 CEADMP COC(=O)CC1CC([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000424275097 281141640 /nfs/dbraw/zinc/14/16/40/281141640.db2.gz ZOBDFFODYJTHEJ-QQFBHYJXSA-N 2 1 296.455 2.430 20 0 CEADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)C(C)(C)C ZINC000424533395 281161334 /nfs/dbraw/zinc/16/13/34/281161334.db2.gz LOMVFKXUXZOUAL-ZIAGYGMSSA-N 2 1 297.487 2.342 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000346838135 281247026 /nfs/dbraw/zinc/24/70/26/281247026.db2.gz QMQUWTUKXQIXOK-HZPDHXFCSA-N 2 1 288.439 2.123 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000346838135 281247027 /nfs/dbraw/zinc/24/70/27/281247027.db2.gz QMQUWTUKXQIXOK-HZPDHXFCSA-N 3 1 288.439 2.123 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000346838135 281247029 /nfs/dbraw/zinc/24/70/29/281247029.db2.gz QMQUWTUKXQIXOK-HZPDHXFCSA-N 3 1 288.439 2.123 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CC[C@H](C)C2)CC1 ZINC000429591449 281248460 /nfs/dbraw/zinc/24/84/60/281248460.db2.gz QURGUPCZFXEHHN-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430121806 281263451 /nfs/dbraw/zinc/26/34/51/281263451.db2.gz IZDOVYDMPNJMEN-WBVHZDCISA-N 2 1 280.456 2.467 20 0 CEADMP C[C@H](CC1CCOCC1)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430121806 281263454 /nfs/dbraw/zinc/26/34/54/281263454.db2.gz IZDOVYDMPNJMEN-WBVHZDCISA-N 2 1 280.456 2.467 20 0 CEADMP C[C@H](CC1CCOCC1)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430121806 281263456 /nfs/dbraw/zinc/26/34/56/281263456.db2.gz IZDOVYDMPNJMEN-WBVHZDCISA-N 2 1 280.456 2.467 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000430888618 281279895 /nfs/dbraw/zinc/27/98/95/281279895.db2.gz JWPDGEWKHDDWQQ-BZUAXINKSA-N 2 1 295.471 2.275 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000430930078 281281864 /nfs/dbraw/zinc/28/18/64/281281864.db2.gz ROBOYVVYPJNWFK-CZUORRHYSA-N 2 1 262.397 2.297 20 0 CEADMP CN(C)c1cc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc[nH+]1 ZINC000430999671 281285767 /nfs/dbraw/zinc/28/57/67/281285767.db2.gz ADKDIUOIFKFSMV-KGLIPLIRSA-N 2 1 290.411 2.384 20 0 CEADMP COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@@H]2C[NH3+])cc1F ZINC000435378288 281386028 /nfs/dbraw/zinc/38/60/28/281386028.db2.gz IAACXIRLXFGPNT-GXTWGEPZSA-N 2 1 280.387 2.436 20 0 CEADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@@H]2C[NH3+])cc1F ZINC000435378288 281386030 /nfs/dbraw/zinc/38/60/30/281386030.db2.gz IAACXIRLXFGPNT-GXTWGEPZSA-N 2 1 280.387 2.436 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000435380160 281386534 /nfs/dbraw/zinc/38/65/34/281386534.db2.gz MTIRGRPBPJHBTC-AWEZNQCLSA-N 2 1 274.408 2.441 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000435380160 281386535 /nfs/dbraw/zinc/38/65/35/281386535.db2.gz MTIRGRPBPJHBTC-AWEZNQCLSA-N 2 1 274.408 2.441 20 0 CEADMP CC[N@@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435387644 281386792 /nfs/dbraw/zinc/38/67/92/281386792.db2.gz AWFNEFZPGJVRCI-OAHLLOKOSA-N 2 1 290.407 2.422 20 0 CEADMP CC[N@@H+](Cc1cnc2n[nH]c(C)c2c1)[C@@H]1CCC[NH2+]CC1 ZINC000435388562 281387472 /nfs/dbraw/zinc/38/74/72/281387472.db2.gz GLVVARMVINBIGD-CQSZACIVSA-N 2 1 287.411 2.230 20 0 CEADMP CC1CCN(C(=[NH2+])NCC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000435430453 281389504 /nfs/dbraw/zinc/38/95/04/281389504.db2.gz BQFPWNVMZYNLPF-UHFFFAOYSA-N 2 1 280.460 2.365 20 0 CEADMP COc1ccsc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435440092 281390073 /nfs/dbraw/zinc/39/00/73/281390073.db2.gz ZGNRTWXCLVGHBU-NSHDSACASA-N 2 1 254.399 2.331 20 0 CEADMP COc1ccsc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435440092 281390074 /nfs/dbraw/zinc/39/00/74/281390074.db2.gz ZGNRTWXCLVGHBU-NSHDSACASA-N 2 1 254.399 2.331 20 0 CEADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261975328 289006719 /nfs/dbraw/zinc/00/67/19/289006719.db2.gz ISAKUHCBFVPRHQ-GMTAPVOTSA-N 2 1 250.308 2.259 20 0 CEADMP C[NH+](C)C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000155807731 289062639 /nfs/dbraw/zinc/06/26/39/289062639.db2.gz SDUZWKMUCUREML-JKSUJKDBSA-N 2 1 279.472 2.467 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000154096374 289134386 /nfs/dbraw/zinc/13/43/86/289134386.db2.gz KIDFNOPLSIKMTC-CVEARBPZSA-N 2 1 297.487 2.199 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN(C)CC(F)(F)F)[C@H](C)C1 ZINC000156370229 289194506 /nfs/dbraw/zinc/19/45/06/289194506.db2.gz JHMHKFGPJRKUKO-CHWSQXEVSA-N 2 1 295.393 2.191 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000401726665 289288469 /nfs/dbraw/zinc/28/84/69/289288469.db2.gz MABKYVUHHCWPAS-OAHLLOKOSA-N 2 1 259.328 2.379 20 0 CEADMP Cc1nc(C)c([C@@H](C)[NH2+]CCc2c[nH+]cn2C)s1 ZINC000401677110 289288482 /nfs/dbraw/zinc/28/84/82/289288482.db2.gz PAJPAAHQRZLDFE-SECBINFHSA-N 2 1 264.398 2.387 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1nc2ccccc2n1C ZINC000401777277 289288522 /nfs/dbraw/zinc/28/85/22/289288522.db2.gz NWNFYUDNQKHVGM-LBPRGKRZSA-N 2 1 283.379 2.200 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2C1CCCC1 ZINC000378369369 289332193 /nfs/dbraw/zinc/33/21/93/289332193.db2.gz JEHINPPDHLTMPG-QLFBSQMISA-N 2 1 252.402 2.113 20 0 CEADMP C[C@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCCC1 ZINC000118772680 289353274 /nfs/dbraw/zinc/35/32/74/289353274.db2.gz YVPBWGGBSDUXJG-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CN1CC[NH2+]C[C@H]1C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000414974314 290063077 /nfs/dbraw/zinc/06/30/77/290063077.db2.gz JSGDRXOLEKANCW-NRXISQOPSA-N 2 1 267.461 2.085 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CCn2cc(Cl)cn2)C[C@H]1C ZINC000459361589 290126624 /nfs/dbraw/zinc/12/66/24/290126624.db2.gz PJWFZMLCPHVANG-TZMCWYRMSA-N 2 1 284.835 2.341 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2cc(Cl)cn2)C[C@H]1C ZINC000459361589 290126627 /nfs/dbraw/zinc/12/66/27/290126627.db2.gz PJWFZMLCPHVANG-TZMCWYRMSA-N 2 1 284.835 2.341 20 0 CEADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)CCn1cc(Cl)cn1 ZINC000459364048 290127113 /nfs/dbraw/zinc/12/71/13/290127113.db2.gz VLEBJRCABGBEHJ-CQSZACIVSA-N 2 1 284.835 2.343 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CCn1cc(Cl)cn1 ZINC000459364048 290127115 /nfs/dbraw/zinc/12/71/15/290127115.db2.gz VLEBJRCABGBEHJ-CQSZACIVSA-N 2 1 284.835 2.343 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CCn1cc(Cl)cn1 ZINC000459364048 290127118 /nfs/dbraw/zinc/12/71/18/290127118.db2.gz VLEBJRCABGBEHJ-CQSZACIVSA-N 2 1 284.835 2.343 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CCn1cc(Cl)cn1 ZINC000459364048 290127121 /nfs/dbraw/zinc/12/71/21/290127121.db2.gz VLEBJRCABGBEHJ-CQSZACIVSA-N 2 1 284.835 2.343 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000459380347 290131411 /nfs/dbraw/zinc/13/14/11/290131411.db2.gz BGVBIWJIYNDCMW-RDJZCZTQSA-N 2 1 285.391 2.330 20 0 CEADMP C[C@@H]([NH2+]CCc1cncn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459411770 290140656 /nfs/dbraw/zinc/14/06/56/290140656.db2.gz UUKZEDXLCATCJC-HUUCEWRRSA-N 2 1 290.455 2.205 20 0 CEADMP C[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCO[C@@H]1C1CC1 ZINC000459527791 290171151 /nfs/dbraw/zinc/17/11/51/290171151.db2.gz LBDOPPOVZDTUPB-IAGOWNOFSA-N 2 1 278.440 2.408 20 0 CEADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459579620 290184985 /nfs/dbraw/zinc/18/49/85/290184985.db2.gz ZVGBNPRBNKLUHA-CVEARBPZSA-N 2 1 294.439 2.325 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459726067 290218033 /nfs/dbraw/zinc/21/80/33/290218033.db2.gz BFQMODUYPNAPKN-CYBMUJFWSA-N 2 1 274.412 2.176 20 0 CEADMP CO[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000459746288 290225376 /nfs/dbraw/zinc/22/53/76/290225376.db2.gz BTZKCPIUIRNNQU-XLNGHYISSA-N 2 1 296.455 2.033 20 0 CEADMP CO[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000459746284 290225462 /nfs/dbraw/zinc/22/54/62/290225462.db2.gz BTZKCPIUIRNNQU-BSWAZPDLSA-N 2 1 296.455 2.033 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cncc(F)c2)C1 ZINC000459775347 290236112 /nfs/dbraw/zinc/23/61/12/290236112.db2.gz JLFIACUHTSQNRH-LBPRGKRZSA-N 2 1 251.349 2.042 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000459794434 290242623 /nfs/dbraw/zinc/24/26/23/290242623.db2.gz UUFIBQSFMIOFAW-SNVBAGLBSA-N 2 1 290.333 2.250 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000461615833 290257223 /nfs/dbraw/zinc/25/72/23/290257223.db2.gz GCWHQXZEFFKXOE-LVQVYYBASA-N 2 1 297.487 2.484 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000461615833 290257224 /nfs/dbraw/zinc/25/72/24/290257224.db2.gz GCWHQXZEFFKXOE-LVQVYYBASA-N 2 1 297.487 2.484 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000461615833 290257228 /nfs/dbraw/zinc/25/72/28/290257228.db2.gz GCWHQXZEFFKXOE-LVQVYYBASA-N 2 1 297.487 2.484 20 0 CEADMP COCC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471849040 290287790 /nfs/dbraw/zinc/28/77/90/290287790.db2.gz RKASTGQZGVZKIB-IAGOWNOFSA-N 2 1 276.424 2.305 20 0 CEADMP CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000484816670 290316694 /nfs/dbraw/zinc/31/66/94/290316694.db2.gz DEMQZFUIKJFNNO-LXTVHRRPSA-N 2 1 254.418 2.025 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000488417730 290397203 /nfs/dbraw/zinc/39/72/03/290397203.db2.gz WSROCANCCMTOQJ-NRSFXHEJSA-N 2 1 288.435 2.115 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000488417730 290397205 /nfs/dbraw/zinc/39/72/05/290397205.db2.gz WSROCANCCMTOQJ-NRSFXHEJSA-N 2 1 288.435 2.115 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000228354006 295257252 /nfs/dbraw/zinc/25/72/52/295257252.db2.gz MKYQNCLHJZXPTQ-RRFJBIMHSA-N 2 1 277.412 2.134 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000414805088 295264483 /nfs/dbraw/zinc/26/44/83/295264483.db2.gz LSJXOHDOGHQIMN-DCAQKATOSA-N 2 1 250.308 2.434 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000530214878 298051804 /nfs/dbraw/zinc/05/18/04/298051804.db2.gz YRTGSGKEDYABFP-JLJPHGGASA-N 2 1 294.414 2.442 20 0 CEADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000530219228 298054187 /nfs/dbraw/zinc/05/41/87/298054187.db2.gz OQNWSZZNWHHGPS-JKSUJKDBSA-N 2 1 280.387 2.054 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000530222220 298056169 /nfs/dbraw/zinc/05/61/69/298056169.db2.gz RAUQGJZMRPPFDX-IVMMDQJWSA-N 2 1 280.387 2.052 20 0 CEADMP CCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccn1 ZINC000530513109 298075660 /nfs/dbraw/zinc/07/56/60/298075660.db2.gz DOJSSFFKSNFMKG-CQSZACIVSA-N 2 1 258.369 2.489 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000532191640 298134931 /nfs/dbraw/zinc/13/49/31/298134931.db2.gz BRLPJAUWZKRQHC-XHSDSOJGSA-N 2 1 297.487 2.486 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000532191640 298134935 /nfs/dbraw/zinc/13/49/35/298134935.db2.gz BRLPJAUWZKRQHC-XHSDSOJGSA-N 2 1 297.487 2.486 20 0 CEADMP C[C@@H](O)CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547505440 298367820 /nfs/dbraw/zinc/36/78/20/298367820.db2.gz PIXFZKNVGHMFEN-BFYDXBDKSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000152382485 298661563 /nfs/dbraw/zinc/66/15/63/298661563.db2.gz GXGIXHGJNXLYKD-DGXTUMSLSA-N 2 1 268.445 2.367 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cncc(Br)c1 ZINC000563441470 298777996 /nfs/dbraw/zinc/77/79/96/298777996.db2.gz AMVUXNXHAGZZQG-JTQLQIEISA-N 2 1 286.217 2.446 20 0 CEADMP C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1c[nH+]ccc1N ZINC000564826241 298851753 /nfs/dbraw/zinc/85/17/53/298851753.db2.gz GWXJXFWRHKWSKY-UVBJJODRSA-N 2 1 275.396 2.350 20 0 CEADMP Cc1ncc(CN[C@H](C)c2ccc([S@](C)=O)cc2)n1C ZINC000566983973 299033891 /nfs/dbraw/zinc/03/38/91/299033891.db2.gz AZYFZPUAQYKRKE-GIPWTMENSA-N 2 1 291.420 2.317 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000411440981 533698500 /nfs/dbraw/zinc/69/85/00/533698500.db2.gz ILCZVRAEDCYZKR-UHFFFAOYSA-N 2 1 289.423 2.459 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000411440981 533698506 /nfs/dbraw/zinc/69/85/06/533698506.db2.gz ILCZVRAEDCYZKR-UHFFFAOYSA-N 2 1 289.423 2.459 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC(C)C)CC(C)(C)C ZINC000521529575 313127906 /nfs/dbraw/zinc/12/79/06/313127906.db2.gz BQCFUSGPNUEFOR-CQSZACIVSA-N 2 1 258.450 2.303 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC(C)C)CC(C)(C)C ZINC000521529575 313127907 /nfs/dbraw/zinc/12/79/07/313127907.db2.gz BQCFUSGPNUEFOR-CQSZACIVSA-N 2 1 258.450 2.303 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](CC(C)C)CC(C)(C)C ZINC000521529575 313127902 /nfs/dbraw/zinc/12/79/02/313127902.db2.gz BQCFUSGPNUEFOR-CQSZACIVSA-N 2 1 258.450 2.303 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CC(C)C)CC(C)(C)C ZINC000521529575 313127903 /nfs/dbraw/zinc/12/79/03/313127903.db2.gz BQCFUSGPNUEFOR-CQSZACIVSA-N 2 1 258.450 2.303 20 0 CEADMP COc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)OC)c1 ZINC000527918776 313214766 /nfs/dbraw/zinc/21/47/66/313214766.db2.gz HLLFUGRWISNLKJ-JQFCIGGWSA-N 2 1 292.423 2.313 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3cn(C)nc3c2)CC[N@H+]1C ZINC000527960793 313221129 /nfs/dbraw/zinc/22/11/29/313221129.db2.gz FBMSYUNGSIKMMK-IUODEOHRSA-N 2 1 272.396 2.146 20 0 CEADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000527999771 313223917 /nfs/dbraw/zinc/22/39/17/313223917.db2.gz PWFCOSLKIVDLCH-KHMAMNHCSA-N 2 1 254.418 2.261 20 0 CEADMP C[NH+](C)Cc1c2ccccc2oc1-c1nc(C[NH3+])no1 ZINC000566213784 313858354 /nfs/dbraw/zinc/85/83/54/313858354.db2.gz DFOHPFSNQZGJKY-UHFFFAOYSA-N 2 1 272.308 2.003 20 0 CEADMP COc1nc2ccccc2cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000571027763 314067945 /nfs/dbraw/zinc/06/79/45/314067945.db2.gz BULGSJNLZGHOFM-UHFFFAOYSA-N 2 1 285.391 2.475 20 0 CEADMP CCc1ccc([C@H]2CC[NH+](C[C@@H](O)C[N@H+](C)CC)C2)cc1 ZINC000571295417 314083716 /nfs/dbraw/zinc/08/37/16/314083716.db2.gz XKNDCOLSOLLSJY-ROUUACIJSA-N 2 1 290.451 2.351 20 0 CEADMP CCc1ccc([C@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C2)cc1 ZINC000571295417 314083719 /nfs/dbraw/zinc/08/37/19/314083719.db2.gz XKNDCOLSOLLSJY-ROUUACIJSA-N 2 1 290.451 2.351 20 0 CEADMP CCc1ccc([C@H]2CC[N@H+](C[C@@H](O)C[NH+](C)CC)C2)cc1 ZINC000571295417 314083722 /nfs/dbraw/zinc/08/37/22/314083722.db2.gz XKNDCOLSOLLSJY-ROUUACIJSA-N 2 1 290.451 2.351 20 0 CEADMP C[C@@H]1CCCC[C@H]1CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000571316303 314084911 /nfs/dbraw/zinc/08/49/11/314084911.db2.gz UMZAYSVJYDHHCY-YCPHGPKFSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1CCCC[C@H]1CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000571316303 314084914 /nfs/dbraw/zinc/08/49/14/314084914.db2.gz UMZAYSVJYDHHCY-YCPHGPKFSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1CCCC[C@H]1CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000571316302 314084991 /nfs/dbraw/zinc/08/49/91/314084991.db2.gz UMZAYSVJYDHHCY-IJEWVQPXSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1CCCC[C@H]1CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000571316302 314084994 /nfs/dbraw/zinc/08/49/94/314084994.db2.gz UMZAYSVJYDHHCY-IJEWVQPXSA-N 2 1 268.445 2.248 20 0 CEADMP CCc1noc(CC)c1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000571908329 314110714 /nfs/dbraw/zinc/11/07/14/314110714.db2.gz XPPXVBYEFLAPTE-RISCZKNCSA-N 2 1 265.401 2.277 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000574151975 314191393 /nfs/dbraw/zinc/19/13/93/314191393.db2.gz YWKGWSYQFWKPAB-STQMWFEESA-N 2 1 296.377 2.401 20 0 CEADMP Cc1ncc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1C ZINC000574220267 314198936 /nfs/dbraw/zinc/19/89/36/314198936.db2.gz DMBOAOCQYLBRQZ-KBPBESRZSA-N 2 1 278.444 2.186 20 0 CEADMP Cc1[nH+]cc(CNCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1C ZINC000574220267 314198939 /nfs/dbraw/zinc/19/89/39/314198939.db2.gz DMBOAOCQYLBRQZ-KBPBESRZSA-N 2 1 278.444 2.186 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000574269022 314202876 /nfs/dbraw/zinc/20/28/76/314202876.db2.gz XHSJYDKMPWQSSC-ZWKOTPCHSA-N 3 1 287.451 2.411 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000574269022 314202879 /nfs/dbraw/zinc/20/28/79/314202879.db2.gz XHSJYDKMPWQSSC-ZWKOTPCHSA-N 3 1 287.451 2.411 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000576129347 314245873 /nfs/dbraw/zinc/24/58/73/314245873.db2.gz STOXQABMJMAZHE-HNNXBMFYSA-N 2 1 270.380 2.212 20 0 CEADMP CC1([NH2+]Cc2cnc(C3CC3)s2)CC[NH2+]CC1 ZINC000576607362 314293773 /nfs/dbraw/zinc/29/37/73/314293773.db2.gz VSAISUXUXXWLPR-UHFFFAOYSA-N 2 1 251.399 2.252 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)CCc1ccccc1 ZINC000578127275 314447689 /nfs/dbraw/zinc/44/76/89/314447689.db2.gz LQZAQPZUEACDRV-QGZVFWFLSA-N 2 1 287.407 2.165 20 0 CEADMP CN(Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000580439690 322318160 /nfs/dbraw/zinc/31/81/60/322318160.db2.gz NQAGKVHADHPYHP-SFHVURJKSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCN(C2CC2)C1 ZINC000580439690 322318162 /nfs/dbraw/zinc/31/81/62/322318162.db2.gz NQAGKVHADHPYHP-SFHVURJKSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCN(C2CC2)C1 ZINC000580439690 322318163 /nfs/dbraw/zinc/31/81/63/322318163.db2.gz NQAGKVHADHPYHP-SFHVURJKSA-N 2 1 285.435 2.001 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000581141331 322373106 /nfs/dbraw/zinc/37/31/06/322373106.db2.gz YYWLMPCNGKMEEW-IAGOWNOFSA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000581141331 322373109 /nfs/dbraw/zinc/37/31/09/322373109.db2.gz YYWLMPCNGKMEEW-IAGOWNOFSA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000581141331 322373113 /nfs/dbraw/zinc/37/31/13/322373113.db2.gz YYWLMPCNGKMEEW-IAGOWNOFSA-N 2 1 276.424 2.097 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000581436820 322396546 /nfs/dbraw/zinc/39/65/46/322396546.db2.gz BKSNUNWGXNRCFH-CYBMUJFWSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000582056672 322442830 /nfs/dbraw/zinc/44/28/30/322442830.db2.gz RPYZJLMUCGWGJA-LLVKDONJSA-N 2 1 252.358 2.051 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000582958614 322514718 /nfs/dbraw/zinc/51/47/18/322514718.db2.gz HEIIBFIORMPREL-JTQLQIEISA-N 2 1 271.792 2.394 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCC[C@@H]2O)C[C@H]1c1ccccc1 ZINC000392845703 329040601 /nfs/dbraw/zinc/04/06/01/329040601.db2.gz XHZSOHNERXXWEU-BDXSIMOUSA-N 2 1 288.435 2.212 20 0 CEADMP Cc1cnccc1CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000397519013 329362826 /nfs/dbraw/zinc/36/28/26/329362826.db2.gz CASANOYCCFFAHT-UHFFFAOYSA-N 2 1 261.413 2.397 20 0 CEADMP Cc1ccc(C)c([C@H]2C[N@H+](CCOCC[NH3+])[C@@H](C)CO2)c1 ZINC000357069147 533716239 /nfs/dbraw/zinc/71/62/39/533716239.db2.gz FPBNEFANWZEQGF-DOTOQJQBSA-N 2 1 292.423 2.041 20 0 CEADMP Cc1ccc(C)c([C@H]2C[N@@H+](CCOCC[NH3+])[C@@H](C)CO2)c1 ZINC000357069147 533716252 /nfs/dbraw/zinc/71/62/52/533716252.db2.gz FPBNEFANWZEQGF-DOTOQJQBSA-N 2 1 292.423 2.041 20 0 CEADMP CCOC(=O)CCCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000157494951 520630248 /nfs/dbraw/zinc/63/02/48/520630248.db2.gz RAMXZXQJEAYNPV-UHFFFAOYSA-N 2 1 270.417 2.136 20 0 CEADMP CCOC(=O)CCCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000157494951 520630254 /nfs/dbraw/zinc/63/02/54/520630254.db2.gz RAMXZXQJEAYNPV-UHFFFAOYSA-N 2 1 270.417 2.136 20 0 CEADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccnn1C ZINC000192678863 533851942 /nfs/dbraw/zinc/85/19/42/533851942.db2.gz HDTNEFBDWSJFFB-KFWWJZLASA-N 2 1 278.444 2.439 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000093597187 534195990 /nfs/dbraw/zinc/19/59/90/534195990.db2.gz JZRWBCQJJFOYFV-CQSZACIVSA-N 2 1 275.396 2.013 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000093597187 534195998 /nfs/dbraw/zinc/19/59/98/534195998.db2.gz JZRWBCQJJFOYFV-CQSZACIVSA-N 2 1 275.396 2.013 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000156698521 519796243 /nfs/dbraw/zinc/79/62/43/519796243.db2.gz VVXKDSWSJFQFMW-AWEZNQCLSA-N 2 1 278.396 2.263 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(CC[NH+](C)Cc2ccccc2)C1 ZINC000278649413 520247492 /nfs/dbraw/zinc/24/74/92/520247492.db2.gz PSKQZECIHYWDBT-SFHVURJKSA-N 2 1 289.467 2.392 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000278649413 520247501 /nfs/dbraw/zinc/24/75/01/520247501.db2.gz PSKQZECIHYWDBT-SFHVURJKSA-N 2 1 289.467 2.392 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(CC[N@@H+](C)Cc2ccccc2)C1 ZINC000278649413 520247509 /nfs/dbraw/zinc/24/75/09/520247509.db2.gz PSKQZECIHYWDBT-SFHVURJKSA-N 2 1 289.467 2.392 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(n2cccn2)CC1 ZINC000365190917 520604678 /nfs/dbraw/zinc/60/46/78/520604678.db2.gz PWQBOKCCXVHWEI-UHFFFAOYSA-N 2 1 264.417 2.252 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000366074297 521717603 /nfs/dbraw/zinc/71/76/03/521717603.db2.gz RFVIGROZBCKSEN-OAGGEKHMSA-N 2 1 290.455 2.378 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000067227539 521813527 /nfs/dbraw/zinc/81/35/27/521813527.db2.gz QCOHCMLAFGAEHA-OAHLLOKOSA-N 2 1 289.423 2.377 20 0 CEADMP Cc1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000154791634 534733439 /nfs/dbraw/zinc/73/34/39/534733439.db2.gz ZMOGCUSOKZXDFA-UHFFFAOYSA-N 2 1 253.415 2.225 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000157324724 524993721 /nfs/dbraw/zinc/99/37/21/524993721.db2.gz ZWSHLZDBCQTCCL-SNVBAGLBSA-N 2 1 298.228 2.403 20 0 CEADMP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000157942544 526714196 /nfs/dbraw/zinc/71/41/96/526714196.db2.gz KWZWGPHUVODMPQ-GXFFZTMASA-N 2 1 267.442 2.232 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000414803670 527257983 /nfs/dbraw/zinc/25/79/83/527257983.db2.gz MKYYIDLKOVGNPO-UHFFFAOYSA-N 2 1 276.302 2.455 20 0 CEADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157921907 527490268 /nfs/dbraw/zinc/49/02/68/527490268.db2.gz PWJLLYIYUOUUKU-CHWSQXEVSA-N 2 1 265.426 2.210 20 0 CEADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071149053 527753557 /nfs/dbraw/zinc/75/35/57/527753557.db2.gz BAPRCMQASLMJIY-QGZVFWFLSA-N 2 1 275.440 2.221 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCCO)[C@@H](C)C1 ZINC000357840656 527799801 /nfs/dbraw/zinc/79/98/01/527799801.db2.gz LYODYGIEVRXKII-UONOGXRCSA-N 2 1 256.434 2.105 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(OC)cc2)[C@H](C)C1 ZINC000125397499 527800937 /nfs/dbraw/zinc/80/09/37/527800937.db2.gz GFDOSNBUNRIYDR-XYPHTWIQSA-N 2 1 292.423 2.049 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCOCC[NH3+])C12CCCCC2 ZINC000357065964 527802104 /nfs/dbraw/zinc/80/21/04/527802104.db2.gz AWFSNRWUMGGVEO-HUUCEWRRSA-N 2 1 284.444 2.021 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C)nn2C)c1 ZINC000417911100 527846572 /nfs/dbraw/zinc/84/65/72/527846572.db2.gz KZTRBPCSLKQLHM-UHFFFAOYSA-N 2 1 286.423 2.470 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)Nc1cc(C)[nH+]c(CC)n1 ZINC000357816819 527992512 /nfs/dbraw/zinc/99/25/12/527992512.db2.gz YCVJWNSMHOPPRO-ZDUSSCGKSA-N 2 1 264.417 2.302 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)Nc1cc(C)[nH+]c(CC)n1 ZINC000357816819 527992514 /nfs/dbraw/zinc/99/25/14/527992514.db2.gz YCVJWNSMHOPPRO-ZDUSSCGKSA-N 2 1 264.417 2.302 20 0 CEADMP CC1CC[NH+](CC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000354870066 528228292 /nfs/dbraw/zinc/22/82/92/528228292.db2.gz YJWDSAQDSBWIDA-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357108419 528435340 /nfs/dbraw/zinc/43/53/40/528435340.db2.gz ULRHSVCVBFHLOI-LSDHHAIUSA-N 2 1 290.407 2.135 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357108419 528435347 /nfs/dbraw/zinc/43/53/47/528435347.db2.gz ULRHSVCVBFHLOI-LSDHHAIUSA-N 2 1 290.407 2.135 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2COC(C)(C)C2)[C@@H](C)C1 ZINC000417922458 528670660 /nfs/dbraw/zinc/67/06/60/528670660.db2.gz TVZMGDRYNAMPGI-XHSDSOJGSA-N 2 1 298.471 2.281 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000732274731 574617297 /nfs/dbraw/zinc/61/72/97/574617297.db2.gz NEJWFFHNOIZXJB-INIZCTEOSA-N 2 1 297.487 2.489 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000732274733 574617341 /nfs/dbraw/zinc/61/73/41/574617341.db2.gz NEJWFFHNOIZXJB-MRXNPFEDSA-N 2 1 297.487 2.489 20 0 CEADMP CCS[C@H]1CCCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000732588992 574623834 /nfs/dbraw/zinc/62/38/34/574623834.db2.gz BXKDKCOHLWGSFP-CABCVRRESA-N 2 1 286.485 2.051 20 0 CEADMP CCC[C@]1(C)CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000743872313 575111604 /nfs/dbraw/zinc/11/16/04/575111604.db2.gz NOICMPFHXMPZIR-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCCCCCO)CC1 ZINC000750176997 575252793 /nfs/dbraw/zinc/25/27/93/575252793.db2.gz BJMFTGUZVNBYCD-UHFFFAOYSA-N 2 1 256.434 2.344 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000960008480 613951022 /nfs/dbraw/zinc/95/10/22/613951022.db2.gz VBZJMXQVFPLRGO-HOTGVXAUSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000968915750 614148663 /nfs/dbraw/zinc/14/86/63/614148663.db2.gz PIPDXYNUTKNSOJ-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CC(N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000957076768 614591981 /nfs/dbraw/zinc/59/19/81/614591981.db2.gz FSVDIHMKPGVVRZ-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947614934 614707764 /nfs/dbraw/zinc/70/77/64/614707764.db2.gz BMQXRMVSNDTAEN-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625034 615027091 /nfs/dbraw/zinc/02/70/91/615027091.db2.gz MYYHREIVJBMAKT-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940625034 615027094 /nfs/dbraw/zinc/02/70/94/615027094.db2.gz MYYHREIVJBMAKT-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940625034 615027095 /nfs/dbraw/zinc/02/70/95/615027095.db2.gz MYYHREIVJBMAKT-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833147 615135706 /nfs/dbraw/zinc/13/57/06/615135706.db2.gz KGUOGQBYNZZIRD-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000942052534 615208110 /nfs/dbraw/zinc/20/81/10/615208110.db2.gz GKPDDRSFTLPZMF-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCC[C@@H](CNc2cc(N)[nH+]cc2Cl)C1 ZINC000892421318 625339502 /nfs/dbraw/zinc/33/95/02/625339502.db2.gz JGSKVPOZIFDJBN-VIFPVBQESA-N 2 1 254.765 2.071 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000935359696 625371061 /nfs/dbraw/zinc/37/10/61/625371061.db2.gz KSCUSDHDGQZYDX-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001024367320 625532903 /nfs/dbraw/zinc/53/29/03/625532903.db2.gz ZXCYDPIEBKZTGY-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001024367320 625532913 /nfs/dbraw/zinc/53/29/13/625532913.db2.gz ZXCYDPIEBKZTGY-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCCCCO)C1 ZINC000175776423 622865262 /nfs/dbraw/zinc/86/52/62/622865262.db2.gz UAZCEGDURXAAQE-HNNXBMFYSA-N 2 1 256.434 2.203 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000890896512 623050287 /nfs/dbraw/zinc/05/02/87/623050287.db2.gz WQVRZNXTSHVTOY-XHSDSOJGSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000160498037 623361845 /nfs/dbraw/zinc/36/18/45/623361845.db2.gz VYEJZFXIXBYLCF-QGZVFWFLSA-N 2 1 276.424 2.491 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000050245235 623373243 /nfs/dbraw/zinc/37/32/43/623373243.db2.gz XOQVHXJQOPXMPH-SNVBAGLBSA-N 2 1 258.287 2.486 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000050245235 623373247 /nfs/dbraw/zinc/37/32/47/623373247.db2.gz XOQVHXJQOPXMPH-SNVBAGLBSA-N 2 1 258.287 2.486 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@H](O)CC(F)(F)F ZINC000307945372 623459848 /nfs/dbraw/zinc/45/98/48/623459848.db2.gz YSWGBXSAHWHSQD-CYBMUJFWSA-N 2 1 290.329 2.151 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(NC[C@@H]3CC[N@@H+](C4CC4)C3)c12 ZINC000891780705 623964617 /nfs/dbraw/zinc/96/46/17/623964617.db2.gz BEAHSCIYTFAAHQ-NSHDSACASA-N 2 1 285.395 2.368 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(NC[C@@H]3CC[N@H+](C4CC4)C3)c12 ZINC000891780705 623964621 /nfs/dbraw/zinc/96/46/21/623964621.db2.gz BEAHSCIYTFAAHQ-NSHDSACASA-N 2 1 285.395 2.368 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC4(CCC4)CO3)C[C@]2(C)C1 ZINC000933733342 623982731 /nfs/dbraw/zinc/98/27/31/623982731.db2.gz CLBVPIDVHLYDLJ-PMPSAXMXSA-N 2 1 278.440 2.219 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC4(CCC4)CO3)C[C@]2(C)C1 ZINC000933733342 623982735 /nfs/dbraw/zinc/98/27/35/623982735.db2.gz CLBVPIDVHLYDLJ-PMPSAXMXSA-N 2 1 278.440 2.219 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCC4(CCC4)CO3)C[C@]2(C)C1 ZINC000933733342 623982740 /nfs/dbraw/zinc/98/27/40/623982740.db2.gz CLBVPIDVHLYDLJ-PMPSAXMXSA-N 2 1 278.440 2.219 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCC4)CO3)C[C@]2(C)C1 ZINC000933733342 623982742 /nfs/dbraw/zinc/98/27/42/623982742.db2.gz CLBVPIDVHLYDLJ-PMPSAXMXSA-N 2 1 278.440 2.219 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)C1CCCCC1 ZINC000933733409 623983523 /nfs/dbraw/zinc/98/35/23/623983523.db2.gz IVFFMEPKJFHWTI-GVDBMIGSSA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)C1CCCCC1 ZINC000933733409 623983524 /nfs/dbraw/zinc/98/35/24/623983524.db2.gz IVFFMEPKJFHWTI-GVDBMIGSSA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)C1CCCCC1 ZINC000933733409 623983528 /nfs/dbraw/zinc/98/35/28/623983528.db2.gz IVFFMEPKJFHWTI-GVDBMIGSSA-N 2 1 280.456 2.465 20 0 CEADMP COc1ccc2[nH+]ccc(N[C@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000892001153 624242128 /nfs/dbraw/zinc/24/21/28/624242128.db2.gz WGUFAVIOEPWIJB-LBPRGKRZSA-N 2 1 283.375 2.314 20 0 CEADMP C[C@H]1Cc2cc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)ccc2O1 ZINC000892034258 624264895 /nfs/dbraw/zinc/26/48/95/624264895.db2.gz KKEQPUVMZYSIDV-DZGCQCFKSA-N 2 1 274.408 2.394 20 0 CEADMP C[C@H]1Cc2cc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)ccc2O1 ZINC000892034258 624264901 /nfs/dbraw/zinc/26/49/01/624264901.db2.gz KKEQPUVMZYSIDV-DZGCQCFKSA-N 2 1 274.408 2.394 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC)C1 ZINC001022958666 624794814 /nfs/dbraw/zinc/79/48/14/624794814.db2.gz RWJSBNQBLJAIPL-XHSDSOJGSA-N 2 1 295.471 2.288 20 0 CEADMP [NH3+][C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000252786683 625113133 /nfs/dbraw/zinc/11/31/33/625113133.db2.gz PXCMPXGSZFWMIQ-CLROSIBMSA-N 2 1 271.408 2.348 20 0 CEADMP OCc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820807480 634533581 /nfs/dbraw/zinc/53/35/81/634533581.db2.gz JCIJEXMVYCMNRZ-ZNXRZULTSA-N 2 1 286.419 2.426 20 0 CEADMP OCc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820807480 634533586 /nfs/dbraw/zinc/53/35/86/634533586.db2.gz JCIJEXMVYCMNRZ-ZNXRZULTSA-N 2 1 286.419 2.426 20 0 CEADMP CC(C)(C)[S@](=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820811895 634536331 /nfs/dbraw/zinc/53/63/31/634536331.db2.gz XWGNWUZWISSPKX-XHOUOSIJSA-N 2 1 298.496 2.281 20 0 CEADMP C[C@@H](O)C[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820810691 634536875 /nfs/dbraw/zinc/53/68/75/634536875.db2.gz BZYKRZJFILHLEV-LVMBCBDASA-N 2 1 266.429 2.141 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000926755020 627285646 /nfs/dbraw/zinc/28/56/46/627285646.db2.gz WLNYVVCCEDKVKI-CABCVRRESA-N 2 1 261.413 2.334 20 0 CEADMP Cc1nnc(C[NH2+]CCCC[NH+]2CCC(C)CC2)s1 ZINC000892588059 627293851 /nfs/dbraw/zinc/29/38/51/627293851.db2.gz CMJYEXCLRHOQKH-UHFFFAOYSA-N 2 1 282.457 2.448 20 0 CEADMP C[C@]1(Br)C[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000892608988 627307469 /nfs/dbraw/zinc/30/74/69/627307469.db2.gz SZOWAGYHUSXCAV-LPWJVIDDSA-N 2 1 287.245 2.376 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2CC[NH+](C)CC2)cn1 ZINC000892634517 627331727 /nfs/dbraw/zinc/33/17/27/627331727.db2.gz XITGQFGOXPGWNS-UHFFFAOYSA-N 3 1 299.422 2.007 20 0 CEADMP C[C@H](CO)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000678045874 627694382 /nfs/dbraw/zinc/69/43/82/627694382.db2.gz QKKKWGAAYRGTNQ-ARFHVFGLSA-N 2 1 268.445 2.201 20 0 CEADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CCn1cc[nH+]c1C ZINC000892759444 627755157 /nfs/dbraw/zinc/75/51/57/627755157.db2.gz UKRLMXXQAULCSD-UHFFFAOYSA-N 2 1 275.400 2.376 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC2(CCCC2)C1 ZINC000851967927 627784180 /nfs/dbraw/zinc/78/41/80/627784180.db2.gz HQENJIMYQSLDSQ-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000851967927 627784184 /nfs/dbraw/zinc/78/41/84/627784184.db2.gz HQENJIMYQSLDSQ-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC2(CCCC2)C1 ZINC000851967927 627784187 /nfs/dbraw/zinc/78/41/87/627784187.db2.gz HQENJIMYQSLDSQ-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000926862008 627845412 /nfs/dbraw/zinc/84/54/12/627845412.db2.gz WBPXNOOWNHKWDA-MBOZISHXSA-N 2 1 264.413 2.018 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000892942905 627872692 /nfs/dbraw/zinc/87/26/92/627872692.db2.gz BEGZOVZSKYDIRF-FHERZECASA-N 2 1 268.445 2.390 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)nc1 ZINC000892944349 627874543 /nfs/dbraw/zinc/87/45/43/627874543.db2.gz PCHPGKUFLXJMDX-AWEZNQCLSA-N 2 1 277.412 2.300 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)nc1 ZINC000892944349 627874548 /nfs/dbraw/zinc/87/45/48/627874548.db2.gz PCHPGKUFLXJMDX-AWEZNQCLSA-N 2 1 277.412 2.300 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@]2(C)Br)C1 ZINC000892946788 627877649 /nfs/dbraw/zinc/87/76/49/627877649.db2.gz NYDIJDKFLPXYIU-UTUOFQBUSA-N 2 1 275.234 2.091 20 0 CEADMP Cc1nc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)sc1C ZINC000892951906 627890030 /nfs/dbraw/zinc/89/00/30/627890030.db2.gz SFXCHCSTHBQADD-CQSZACIVSA-N 2 1 297.468 2.086 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC1SCCS1 ZINC000853022969 627918959 /nfs/dbraw/zinc/91/89/59/627918959.db2.gz JDPRNBLEFWMMJO-SCVCMEIPSA-N 2 1 260.472 2.159 20 0 CEADMP COc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)o1 ZINC000893027985 627953095 /nfs/dbraw/zinc/95/30/95/627953095.db2.gz BMICZLCLJURUMA-UHFFFAOYSA-N 2 1 263.341 2.363 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](CO)c2ccc(F)cc2)C1 ZINC000902361895 634616862 /nfs/dbraw/zinc/61/68/62/634616862.db2.gz NSVYQXGCEVBYSX-GJZGRUSLSA-N 2 1 280.387 2.227 20 0 CEADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000925518660 628067702 /nfs/dbraw/zinc/06/77/02/628067702.db2.gz JSRJBMYTDVVDOY-LSDHHAIUSA-N 3 1 267.461 2.358 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902383820 634628486 /nfs/dbraw/zinc/62/84/86/634628486.db2.gz FMBNCUWHJCTIBS-CABCVRRESA-N 2 1 267.461 2.229 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775383071 628251705 /nfs/dbraw/zinc/25/17/05/628251705.db2.gz UJQIBCWXQKGONO-AGIUHOORSA-N 2 1 283.466 2.161 20 0 CEADMP Cc1cc(C)cc(OCC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000925584322 628263437 /nfs/dbraw/zinc/26/34/37/628263437.db2.gz LEUQOJSBDSBEJW-XWJBARJFSA-N 2 1 286.419 2.268 20 0 CEADMP Cc1ncc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)s1 ZINC000925615721 628300814 /nfs/dbraw/zinc/30/08/14/628300814.db2.gz HYLPJOACAIYNNH-ZDUSSCGKSA-N 2 1 265.426 2.258 20 0 CEADMP Oc1ccccc1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925616430 628301351 /nfs/dbraw/zinc/30/13/51/628301351.db2.gz MFYJVZUFGLTQDZ-HNNXBMFYSA-N 2 1 260.381 2.199 20 0 CEADMP [NH3+]CCC[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccccc1 ZINC000925617960 628307528 /nfs/dbraw/zinc/30/75/28/628307528.db2.gz YIVHROZSGDFQRT-JKSUJKDBSA-N 2 1 284.407 2.337 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)[C@H]1c1ccccc1 ZINC000925627518 628321639 /nfs/dbraw/zinc/32/16/39/628321639.db2.gz BESBZMXDDKMHLD-GVDBMIGSSA-N 2 1 285.435 2.306 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)C12CCC2 ZINC000925632861 628328706 /nfs/dbraw/zinc/32/87/06/628328706.db2.gz CKVPODZFWDLQEX-HUUCEWRRSA-N 2 1 286.375 2.264 20 0 CEADMP C[C@](O)(CC[NH2+][C@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925644867 628343005 /nfs/dbraw/zinc/34/30/05/628343005.db2.gz OFWFZUNFSWPPSW-HOCLYGCPSA-N 2 1 262.397 2.014 20 0 CEADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ncnn2-c2ccccc2)C1 ZINC000925655766 628364088 /nfs/dbraw/zinc/36/40/88/628364088.db2.gz HPZOFEQMFPVVAR-UONOGXRCSA-N 2 1 299.422 2.263 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)[C@@H]1CCCC[NH2+]1 ZINC000902430139 634651936 /nfs/dbraw/zinc/65/19/36/634651936.db2.gz OYIXBZGSNGQCAO-ATGSNQNLSA-N 2 1 252.402 2.064 20 0 CEADMP COCC1(C[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])CCOCC1 ZINC000925676204 628463195 /nfs/dbraw/zinc/46/31/95/628463195.db2.gz YRERJVNPIAKEOI-GOEBONIOSA-N 2 1 292.423 2.108 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000925704281 628547944 /nfs/dbraw/zinc/54/79/44/628547944.db2.gz FPOAIQRDINGNHL-JKSUJKDBSA-N 2 1 264.413 2.043 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008763278 628568254 /nfs/dbraw/zinc/56/82/54/628568254.db2.gz ZNRCKSMOSJXZMX-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccccc3F)C[C@@H]2C1 ZINC000931439356 628580691 /nfs/dbraw/zinc/58/06/91/628580691.db2.gz VBZJEYZJHGCUSJ-CABCVRRESA-N 2 1 262.372 2.252 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccccc3F)C[C@@H]2C1 ZINC000931439356 628580694 /nfs/dbraw/zinc/58/06/94/628580694.db2.gz VBZJEYZJHGCUSJ-CABCVRRESA-N 2 1 262.372 2.252 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccccc3F)C[C@@H]2C1 ZINC000931439356 628580697 /nfs/dbraw/zinc/58/06/97/628580697.db2.gz VBZJEYZJHGCUSJ-CABCVRRESA-N 2 1 262.372 2.252 20 0 CEADMP FCCn1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000902446601 634669422 /nfs/dbraw/zinc/66/94/22/634669422.db2.gz PJQJCQMPGQWNQK-JKSUJKDBSA-N 2 1 294.418 2.111 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)CC2 ZINC000902448174 634671120 /nfs/dbraw/zinc/67/11/20/634671120.db2.gz DHHAAFAQCCQHLO-GDBMZVCRSA-N 2 1 274.408 2.140 20 0 CEADMP OC[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000925731593 628681198 /nfs/dbraw/zinc/68/11/98/628681198.db2.gz UNSGRKHAPWCQIP-UKRRQHHQSA-N 2 1 294.826 2.290 20 0 CEADMP OC[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000925731594 628681272 /nfs/dbraw/zinc/68/12/72/628681272.db2.gz UNSGRKHAPWCQIP-ZFWWWQNUSA-N 2 1 294.826 2.290 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc(F)c3)CC[C@@H]21 ZINC000162817792 628683039 /nfs/dbraw/zinc/68/30/39/628683039.db2.gz KOOQVLZEJNCRAC-PVAVHDDUSA-N 2 1 292.398 2.275 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc(F)c3)CC[C@@H]21 ZINC000162817792 628683044 /nfs/dbraw/zinc/68/30/44/628683044.db2.gz KOOQVLZEJNCRAC-PVAVHDDUSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3cccc(F)c3)CC[C@@H]21 ZINC000162817792 628683048 /nfs/dbraw/zinc/68/30/48/628683048.db2.gz KOOQVLZEJNCRAC-PVAVHDDUSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3cccc(F)c3)CC[C@@H]21 ZINC000162817792 628683052 /nfs/dbraw/zinc/68/30/52/628683052.db2.gz KOOQVLZEJNCRAC-PVAVHDDUSA-N 2 1 292.398 2.275 20 0 CEADMP CC(C)[C@H]1CC[C@@H]1[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750182 628710147 /nfs/dbraw/zinc/71/01/47/628710147.db2.gz DLOMBOMNRCRXKL-PWSUYJOCSA-N 2 1 265.426 2.395 20 0 CEADMP CC(C)[C@H]1CC[C@@H]1[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750182 628710149 /nfs/dbraw/zinc/71/01/49/628710149.db2.gz DLOMBOMNRCRXKL-PWSUYJOCSA-N 2 1 265.426 2.395 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc2nonc2c1 ZINC000902456857 634677489 /nfs/dbraw/zinc/67/74/89/634677489.db2.gz QDOUUICXANJGKQ-WBMJQRKESA-N 2 1 296.374 2.271 20 0 CEADMP C[N@H+](CC(=O)Nc1ccccc1Cl)CC1CC[NH2+]CC1 ZINC000094024573 628744937 /nfs/dbraw/zinc/74/49/37/628744937.db2.gz VOGMAMMPVXUGNI-UHFFFAOYSA-N 2 1 295.814 2.210 20 0 CEADMP C[C@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000902471968 634688095 /nfs/dbraw/zinc/68/80/95/634688095.db2.gz VUSLJQBVKHXGCO-PFPDTZPXSA-N 2 1 285.435 2.132 20 0 CEADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)[C@@H]1C[C@H]1C ZINC000925801836 628849359 /nfs/dbraw/zinc/84/93/59/628849359.db2.gz ZCACVRXJSMRDLF-BARDWOONSA-N 2 1 266.429 2.169 20 0 CEADMP CN(C)Cc1csc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925813667 628867584 /nfs/dbraw/zinc/86/75/84/628867584.db2.gz VICNMISRHTTWKK-NWDGAFQWSA-N 2 1 296.484 2.200 20 0 CEADMP COc1cc(Br)cc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000925828355 628919121 /nfs/dbraw/zinc/91/91/21/628919121.db2.gz FMNVNJJFDGYEKD-UHFFFAOYSA-N 2 1 299.212 2.299 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000261597234 628943440 /nfs/dbraw/zinc/94/34/40/628943440.db2.gz MWPLNNKPZAABBQ-JFIYKMOQSA-N 2 1 287.451 2.363 20 0 CEADMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)C(C)(C)C ZINC000925846370 628949847 /nfs/dbraw/zinc/94/98/47/628949847.db2.gz SBSWCBNNETWQTM-AWEZNQCLSA-N 2 1 255.450 2.086 20 0 CEADMP C[C@H](NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925861175 628961902 /nfs/dbraw/zinc/96/19/02/628961902.db2.gz OAFRWSWIZFNWLA-UIDBIOKJSA-N 2 1 265.445 2.124 20 0 CEADMP C[C@@H](NC1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCC[NH2+]1 ZINC000925861176 628962042 /nfs/dbraw/zinc/96/20/42/628962042.db2.gz OAFRWSWIZFNWLA-YHNBSYBMSA-N 2 1 265.445 2.124 20 0 CEADMP C[N@@H+](Cc1ccc2oc(=O)oc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000893952171 629062325 /nfs/dbraw/zinc/06/23/25/629062325.db2.gz DEMVMKYRNMDVHN-ZDUSSCGKSA-N 2 1 290.363 2.160 20 0 CEADMP C[N@H+](Cc1ccc2oc(=O)oc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000893952171 629062327 /nfs/dbraw/zinc/06/23/27/629062327.db2.gz DEMVMKYRNMDVHN-ZDUSSCGKSA-N 2 1 290.363 2.160 20 0 CEADMP C[NH+](Cc1ccc2oc(=O)oc2c1)C[C@H]1CCC[N@H+](C)C1 ZINC000893952171 629062331 /nfs/dbraw/zinc/06/23/31/629062331.db2.gz DEMVMKYRNMDVHN-ZDUSSCGKSA-N 2 1 290.363 2.160 20 0 CEADMP C[NH+](Cc1ccc2oc(=O)oc2c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000893952171 629062334 /nfs/dbraw/zinc/06/23/34/629062334.db2.gz DEMVMKYRNMDVHN-ZDUSSCGKSA-N 2 1 290.363 2.160 20 0 CEADMP C[N@@H+](Cc1ccc2[nH]c(=O)[nH]c2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000893952885 629063660 /nfs/dbraw/zinc/06/36/60/629063660.db2.gz OPTTUKLNAHDNCW-CYBMUJFWSA-N 2 1 288.395 2.042 20 0 CEADMP C[N@H+](Cc1ccc2[nH]c(=O)[nH]c2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000893952885 629063662 /nfs/dbraw/zinc/06/36/62/629063662.db2.gz OPTTUKLNAHDNCW-CYBMUJFWSA-N 2 1 288.395 2.042 20 0 CEADMP C[NH+](Cc1ccc2[nH]c(=O)[nH]c2c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000893952885 629063665 /nfs/dbraw/zinc/06/36/65/629063665.db2.gz OPTTUKLNAHDNCW-CYBMUJFWSA-N 2 1 288.395 2.042 20 0 CEADMP C[NH+](Cc1ccc2[nH]c(=O)[nH]c2c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000893952885 629063668 /nfs/dbraw/zinc/06/36/68/629063668.db2.gz OPTTUKLNAHDNCW-CYBMUJFWSA-N 2 1 288.395 2.042 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCOc1cccc(F)c1 ZINC000902516060 634709818 /nfs/dbraw/zinc/70/98/18/634709818.db2.gz AKKUTXOIATZCJN-WFASDCNBSA-N 2 1 266.360 2.325 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000924917296 629252860 /nfs/dbraw/zinc/25/28/60/629252860.db2.gz PHIFDRJTPQCGKW-UAGQMJEPSA-N 2 1 292.471 2.451 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000924917296 629252864 /nfs/dbraw/zinc/25/28/64/629252864.db2.gz PHIFDRJTPQCGKW-UAGQMJEPSA-N 2 1 292.471 2.451 20 0 CEADMP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)n1 ZINC000924954470 629291906 /nfs/dbraw/zinc/29/19/06/629291906.db2.gz WJGLTWLDEFANKD-VXGBXAGGSA-N 2 1 290.415 2.098 20 0 CEADMP C[C@@H]1C[N@H+](Cc2scnc2C2CC2)CC[C@H]1[NH3+] ZINC000261921858 629322196 /nfs/dbraw/zinc/32/21/96/629322196.db2.gz KOXVDNANORFJPP-MWLCHTKSSA-N 2 1 251.399 2.190 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2scnc2C2CC2)CC[C@H]1[NH3+] ZINC000261921858 629322197 /nfs/dbraw/zinc/32/21/97/629322197.db2.gz KOXVDNANORFJPP-MWLCHTKSSA-N 2 1 251.399 2.190 20 0 CEADMP CC(C)[C@H]1C[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)CS1 ZINC000894377611 629409666 /nfs/dbraw/zinc/40/96/66/629409666.db2.gz CINPXXGZVWPJOO-HZPDHXFCSA-N 2 1 299.528 2.134 20 0 CEADMP Cc1cc(C[NH2+]C2CC(N(C)C)C2)c2c(n1)CCCC2 ZINC000902603419 634741506 /nfs/dbraw/zinc/74/15/06/634741506.db2.gz FKMPPWZNRLZCNO-UHFFFAOYSA-N 2 1 273.424 2.451 20 0 CEADMP C[NH+]1CCC(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)CC1 ZINC000894899917 629740732 /nfs/dbraw/zinc/74/07/32/629740732.db2.gz CLJOWRQUEZYITM-IRXDYDNUSA-N 2 1 274.408 2.136 20 0 CEADMP Cc1ncc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)s1 ZINC000796335060 629855448 /nfs/dbraw/zinc/85/54/48/629855448.db2.gz RCMNVNQLTVNCCZ-UHFFFAOYSA-N 2 1 296.465 2.302 20 0 CEADMP Cc1[nH+]cc(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)n1C ZINC000895117126 629916163 /nfs/dbraw/zinc/91/61/63/629916163.db2.gz XFNYDBGKSHKQAU-SHTZXODSSA-N 2 1 299.422 2.400 20 0 CEADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(CO)o1 ZINC000895380050 630151056 /nfs/dbraw/zinc/15/10/56/630151056.db2.gz XEPHYGQYUOJTOW-CZUORRHYSA-N 2 1 280.412 2.324 20 0 CEADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(CO)o1 ZINC000895380050 630151058 /nfs/dbraw/zinc/15/10/58/630151058.db2.gz XEPHYGQYUOJTOW-CZUORRHYSA-N 2 1 280.412 2.324 20 0 CEADMP Cc1[nH+]cc(CN2CCCC[C@@H]2[C@H](C)C[NH+](C)C)n1C ZINC000895379527 630151298 /nfs/dbraw/zinc/15/12/98/630151298.db2.gz LRPLWJIQYMAHHY-CZUORRHYSA-N 2 1 278.444 2.281 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000895376182 630151543 /nfs/dbraw/zinc/15/15/43/630151543.db2.gz FEEUDIDOHFRQJO-HOCLYGCPSA-N 2 1 266.429 2.385 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C)[C@H]1CCOC1 ZINC000895381670 630152716 /nfs/dbraw/zinc/15/27/16/630152716.db2.gz VFXVMQFFZUWLFA-MWDXBVQZSA-N 2 1 298.471 2.090 20 0 CEADMP C[NH+]1CCC(C[NH2+]Cc2c[nH]cn2)(c2ccccc2)CC1 ZINC000895456116 630199271 /nfs/dbraw/zinc/19/92/71/630199271.db2.gz CZMCNOOYOBKDBL-UHFFFAOYSA-N 2 1 284.407 2.163 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCCC[NH+]1CCCCCC1 ZINC000895462161 630203845 /nfs/dbraw/zinc/20/38/45/630203845.db2.gz SFMXOOKOINECPA-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@@H](CC(F)(F)F)O1 ZINC000895470524 630209224 /nfs/dbraw/zinc/20/92/24/630209224.db2.gz WIWIZWKIYRKJRQ-DGCLKSJQSA-N 2 1 294.361 2.370 20 0 CEADMP COC1CCC(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000895472752 630210008 /nfs/dbraw/zinc/21/00/08/630210008.db2.gz KSMSBPXGWKECRP-OFLPRAFFSA-N 2 1 298.471 2.234 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccco2)CCN1c1cc[nH+]cc1 ZINC000895557941 630248943 /nfs/dbraw/zinc/24/89/43/630248943.db2.gz TVHGHMPNRZXUSL-ZDUSSCGKSA-N 2 1 257.337 2.385 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccco2)CCN1c1cc[nH+]cc1 ZINC000895557941 630248944 /nfs/dbraw/zinc/24/89/44/630248944.db2.gz TVHGHMPNRZXUSL-ZDUSSCGKSA-N 2 1 257.337 2.385 20 0 CEADMP CC[C@@](C)(C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)OC ZINC000895558584 630249899 /nfs/dbraw/zinc/24/98/99/630249899.db2.gz YIYFUNZFENHYML-HOCLYGCPSA-N 2 1 277.412 2.407 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(Cc3nccc4c3CCCC4)CC[C@@H]21 ZINC000895844604 630367566 /nfs/dbraw/zinc/36/75/66/630367566.db2.gz SBEGLIBWRYRHIC-QAPCUYQASA-N 2 1 285.435 2.486 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000895972419 630424735 /nfs/dbraw/zinc/42/47/35/630424735.db2.gz WOFNHPHKWDVNQZ-CQSZACIVSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000895972419 630424737 /nfs/dbraw/zinc/42/47/37/630424737.db2.gz WOFNHPHKWDVNQZ-CQSZACIVSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000895972419 630424740 /nfs/dbraw/zinc/42/47/40/630424740.db2.gz WOFNHPHKWDVNQZ-CQSZACIVSA-N 2 1 295.471 2.192 20 0 CEADMP CCO[C@H](C[NH2+]C[C@H]1CCc2ccccc2C1)C[NH+](C)C ZINC000896876364 630698020 /nfs/dbraw/zinc/69/80/20/630698020.db2.gz DPZAVOJRDZORPC-MAUKXSAKSA-N 2 1 290.451 2.348 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H](C)CCc1ccc(O)cc1)C[NH+](C)C ZINC000896880134 630699120 /nfs/dbraw/zinc/69/91/20/630699120.db2.gz OEPXHXLRRDVDTN-YOEHRIQHSA-N 2 1 294.439 2.270 20 0 CEADMP Cc1[nH+]ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1Cl ZINC000897222588 630998942 /nfs/dbraw/zinc/99/89/42/630998942.db2.gz WBBVMOIBHHHWOG-STQMWFEESA-N 2 1 295.814 2.079 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC3(C2)COC(C)(C)C3)CC[N@@H+]1C ZINC000925142092 631000782 /nfs/dbraw/zinc/00/07/82/631000782.db2.gz NGDDJZPAYZFZEK-NOZYUVCASA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC3(C2)COC(C)(C)C3)CC[N@H+]1C ZINC000925142092 631000788 /nfs/dbraw/zinc/00/07/88/631000788.db2.gz NGDDJZPAYZFZEK-NOZYUVCASA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897321046 631112512 /nfs/dbraw/zinc/11/25/12/631112512.db2.gz IFCMTDLEDWOFRA-ZFWWWQNUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2CCC(C)(C)C2=O)CC1 ZINC000840001522 631564953 /nfs/dbraw/zinc/56/49/53/631564953.db2.gz ACKDTPHZAZGSIT-UHFFFAOYSA-N 2 1 295.471 2.255 20 0 CEADMP C[C@H]1C[C@H](C[N@H+](C)Cc2cnn(-c3ccccc3)n2)CC[NH2+]1 ZINC000841008150 631659431 /nfs/dbraw/zinc/65/94/31/631659431.db2.gz WATHFWTWFNEBKG-LSDHHAIUSA-N 2 1 299.422 2.087 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cnn(-c3ccccc3)n2)CC[NH2+]1 ZINC000841008150 631659435 /nfs/dbraw/zinc/65/94/35/631659435.db2.gz WATHFWTWFNEBKG-LSDHHAIUSA-N 2 1 299.422 2.087 20 0 CEADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000897611589 631816734 /nfs/dbraw/zinc/81/67/34/631816734.db2.gz IQLJQTXYMSAHRP-TWMKSMIVSA-N 2 1 260.425 2.472 20 0 CEADMP Cc1cnc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000809738620 632135085 /nfs/dbraw/zinc/13/50/85/632135085.db2.gz BWPQBKUYCIUELY-UHFFFAOYSA-N 2 1 284.407 2.479 20 0 CEADMP Cc1cnc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000809738620 632135092 /nfs/dbraw/zinc/13/50/92/632135092.db2.gz BWPQBKUYCIUELY-UHFFFAOYSA-N 2 1 284.407 2.479 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccoc1 ZINC000809738308 632135617 /nfs/dbraw/zinc/13/56/17/632135617.db2.gz UAGFXZYDFREOGO-MRXNPFEDSA-N 2 1 279.428 2.128 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)nc3ccccn32)[C@H](C)C1 ZINC000898274893 632143502 /nfs/dbraw/zinc/14/35/02/632143502.db2.gz WZVQXACPXRCHIF-HIFRSBDPSA-N 2 1 286.423 2.463 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)nc3ccccn32)[C@H](C)C1 ZINC000898274893 632143508 /nfs/dbraw/zinc/14/35/08/632143508.db2.gz WZVQXACPXRCHIF-HIFRSBDPSA-N 2 1 286.423 2.463 20 0 CEADMP CCC(CC)C[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989669370 632221541 /nfs/dbraw/zinc/22/15/41/632221541.db2.gz CLQFERIURCDDRW-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCO[C@@H](C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C)C[NH+](C)C ZINC000926958938 632385111 /nfs/dbraw/zinc/38/51/11/632385111.db2.gz IPMRRPPIQQGFSW-XGUBFFRZSA-N 2 1 268.445 2.367 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C)C[NH+](C)C ZINC000926958937 632385919 /nfs/dbraw/zinc/38/59/19/632385919.db2.gz IPMRRPPIQQGFSW-LJISPDSOSA-N 2 1 268.445 2.367 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC000811962650 632470351 /nfs/dbraw/zinc/47/03/51/632470351.db2.gz XPIDPNZUBAZJOS-CQSZACIVSA-N 2 1 294.443 2.208 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC000811962650 632470356 /nfs/dbraw/zinc/47/03/56/632470356.db2.gz XPIDPNZUBAZJOS-CQSZACIVSA-N 2 1 294.443 2.208 20 0 CEADMP CCc1cc(N[C@@H]2Cc3ccccc3[C@H]2[NH3+])nc(C)[nH+]1 ZINC000900019688 633182842 /nfs/dbraw/zinc/18/28/42/633182842.db2.gz DWPYDEAGIVRQKY-GDBMZVCRSA-N 2 1 268.364 2.384 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCCCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000817880371 633751001 /nfs/dbraw/zinc/75/10/01/633751001.db2.gz QRHQRXXQXVPXIG-ILXRZTDVSA-N 3 1 255.450 2.201 20 0 CEADMP CC[C@@H](NCc1ccc(-n2cc[nH+]c2C)nc1)[C@@H]1CCC[NH2+]1 ZINC000817888886 633751446 /nfs/dbraw/zinc/75/14/46/633751446.db2.gz KODFQTAZARIYBV-CVEARBPZSA-N 2 1 299.422 2.196 20 0 CEADMP CCc1cc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)[nH]n1 ZINC000817891590 633754593 /nfs/dbraw/zinc/75/45/93/633754593.db2.gz DXCHSDZBYQOTEJ-OCCSQVGLSA-N 2 1 264.417 2.373 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOc1ccccc1F ZINC000817899400 633760312 /nfs/dbraw/zinc/76/03/12/633760312.db2.gz OHKPAYJMQHKIME-JSGCOSHPSA-N 2 1 266.360 2.182 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000817905184 633765154 /nfs/dbraw/zinc/76/51/54/633765154.db2.gz CNVLLJYBTQNSLU-UTUOFQBUSA-N 2 1 289.206 2.496 20 0 CEADMP Fc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000817917112 633775543 /nfs/dbraw/zinc/77/55/43/633775543.db2.gz KYOBWQOZRPDQON-HZSPNIEDSA-N 2 1 263.360 2.231 20 0 CEADMP Fc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000817917115 633775622 /nfs/dbraw/zinc/77/56/22/633775622.db2.gz KYOBWQOZRPDQON-MGPQQGTHSA-N 2 1 263.360 2.231 20 0 CEADMP CC[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817927541 633782849 /nfs/dbraw/zinc/78/28/49/633782849.db2.gz GSMSWIYDMLCRHA-ZACQAIPSSA-N 2 1 276.424 2.100 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000817936379 633784398 /nfs/dbraw/zinc/78/43/98/633784398.db2.gz JWVPHRKXUHHQHB-UTLUCORTSA-N 2 1 251.201 2.300 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](C)c1cnn(-c2ccccc2)c1C ZINC000817939271 633789049 /nfs/dbraw/zinc/78/90/49/633789049.db2.gz BUVKMQBGGOPXJH-CYBMUJFWSA-N 2 1 272.396 2.441 20 0 CEADMP CC(C)C[C@H](CNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)[NH+](C)C ZINC000900684282 633808100 /nfs/dbraw/zinc/80/81/00/633808100.db2.gz LZGPBWNZYCTESA-ARFHVFGLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000817979063 633821995 /nfs/dbraw/zinc/82/19/95/633821995.db2.gz HVAWMDSBTHHECS-AAEUAGOBSA-N 2 1 277.368 2.031 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)[C@H](C)[NH3+] ZINC000817977843 633822073 /nfs/dbraw/zinc/82/20/73/633822073.db2.gz QGOCFOMPKNIBKO-XQQFMLRXSA-N 2 1 275.396 2.200 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)c(COC)c1 ZINC000817979745 633823901 /nfs/dbraw/zinc/82/39/01/633823901.db2.gz NTWOEIBJWUKSQK-RISCZKNCSA-N 2 1 266.385 2.230 20 0 CEADMP CCCCOC(=O)[C@H](C)[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000818341132 633913424 /nfs/dbraw/zinc/91/34/24/633913424.db2.gz WIKFERYQFGXJCT-KBPBESRZSA-N 2 1 282.428 2.182 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000818966520 634020001 /nfs/dbraw/zinc/02/00/01/634020001.db2.gz RVLPJLCZJHECIE-LRDDRELGSA-N 2 1 291.370 2.290 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000818967752 634020531 /nfs/dbraw/zinc/02/05/31/634020531.db2.gz AQPKMWHRAWPKAD-HNNXBMFYSA-N 2 1 295.333 2.183 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2C)C1 ZINC000818981130 634027574 /nfs/dbraw/zinc/02/75/74/634027574.db2.gz RCSBVTSSDPVXEE-WMLDXEAASA-N 2 1 294.414 2.489 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc(F)c2)C1 ZINC000819151323 634084701 /nfs/dbraw/zinc/08/47/01/634084701.db2.gz ARICPSXBOTYAFR-PBHICJAKSA-N 2 1 294.414 2.427 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C1=CC[N@@H+](C)CC1 ZINC000819219432 634107762 /nfs/dbraw/zinc/10/77/62/634107762.db2.gz DNVFOYGEHKLUNS-MLGOLLRUSA-N 2 1 278.371 2.099 20 0 CEADMP CCCn1cc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)nn1 ZINC000903015629 634926589 /nfs/dbraw/zinc/92/65/89/634926589.db2.gz HDIBLTFIRHVCDZ-CYBMUJFWSA-N 2 1 279.432 2.213 20 0 CEADMP C([NH2+][C@@H]1CCOC12CCCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000903067491 634953667 /nfs/dbraw/zinc/95/36/67/634953667.db2.gz SPUINSFEHPJDHD-UKRRQHHQSA-N 2 1 264.413 2.162 20 0 CEADMP CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000903075366 634957875 /nfs/dbraw/zinc/95/78/75/634957875.db2.gz UPDOSVZAHNXHCM-LSDHHAIUSA-N 2 1 286.379 2.233 20 0 CEADMP CC(C)(C)OC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903099753 634968524 /nfs/dbraw/zinc/96/85/24/634968524.db2.gz MIRVTEXJVWAFMJ-LQDVMPOASA-N 2 1 294.439 2.466 20 0 CEADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)CC[N@H+]1C ZINC000903099173 634968571 /nfs/dbraw/zinc/96/85/71/634968571.db2.gz CSOLOTOYFPFGNS-AEIJQKHESA-N 2 1 277.456 2.217 20 0 CEADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC[NH+]1C ZINC000903099173 634968574 /nfs/dbraw/zinc/96/85/74/634968574.db2.gz CSOLOTOYFPFGNS-AEIJQKHESA-N 3 1 277.456 2.217 20 0 CEADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC[NH+]1C ZINC000903099173 634968578 /nfs/dbraw/zinc/96/85/78/634968578.db2.gz CSOLOTOYFPFGNS-AEIJQKHESA-N 3 1 277.456 2.217 20 0 CEADMP C1=C(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCOC1 ZINC000903178507 634999975 /nfs/dbraw/zinc/99/99/75/634999975.db2.gz WPJSFLHTFADSCW-VHRNVKJDSA-N 2 1 262.397 2.081 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000903240903 635025398 /nfs/dbraw/zinc/02/53/98/635025398.db2.gz ZQQJTEGUAALHTN-SJPCQFCGSA-N 2 1 288.439 2.113 20 0 CEADMP CC/C(C)=C/C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000822952772 635033571 /nfs/dbraw/zinc/03/35/71/635033571.db2.gz YCSYOKGTPPEBGY-MDJJKAFGSA-N 2 1 295.471 2.217 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCN1C ZINC000903326090 635075833 /nfs/dbraw/zinc/07/58/33/635075833.db2.gz VWYHLTDYJLFCKE-NJAFHUGGSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCN1C ZINC000903326089 635075893 /nfs/dbraw/zinc/07/58/93/635075893.db2.gz VWYHLTDYJLFCKE-KBAYOESNSA-N 2 1 287.451 2.191 20 0 CEADMP CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C[C@H]1COc2ccccc2O1 ZINC000903425929 635112373 /nfs/dbraw/zinc/11/23/73/635112373.db2.gz AWABFBURLIJSOA-ILXRZTDVSA-N 2 1 290.407 2.004 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903434537 635115853 /nfs/dbraw/zinc/11/58/53/635115853.db2.gz HORWLOBGEZYKSH-JJXSEGSLSA-N 2 1 295.471 2.131 20 0 CEADMP Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903439361 635118988 /nfs/dbraw/zinc/11/89/88/635118988.db2.gz HDXOGPHNHGAMDK-VYDXJSESSA-N 2 1 274.408 2.496 20 0 CEADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903441466 635120787 /nfs/dbraw/zinc/12/07/87/635120787.db2.gz TXGWMJQLCCCADF-ZOBORPQBSA-N 2 1 256.459 2.448 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000903459870 635125807 /nfs/dbraw/zinc/12/58/07/635125807.db2.gz PGHDZBDFAINIIQ-XGXHKWSGSA-N 2 1 299.462 2.048 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000903461581 635127134 /nfs/dbraw/zinc/12/71/34/635127134.db2.gz VBHRSAYYQYUTST-YXMSTPNBSA-N 2 1 266.429 2.251 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903441842 635128480 /nfs/dbraw/zinc/12/84/80/635128480.db2.gz CDIARMMGQFHLQF-BRWVUGGUSA-N 2 1 279.472 2.325 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903452246 635135732 /nfs/dbraw/zinc/13/57/32/635135732.db2.gz KEURETIYWWNTHP-FVCCEPFGSA-N 2 1 258.356 2.481 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903452247 635136023 /nfs/dbraw/zinc/13/60/23/635136023.db2.gz KEURETIYWWNTHP-RVMXOQNASA-N 2 1 258.356 2.481 20 0 CEADMP C[N@@H+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C1CC([NH3+])C1 ZINC000903453808 635136705 /nfs/dbraw/zinc/13/67/05/635136705.db2.gz MFSSJYXEUVTXJX-NWINJMCUSA-N 2 1 266.335 2.457 20 0 CEADMP Cc1nc2sccn2c1C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454966 635137966 /nfs/dbraw/zinc/13/79/66/635137966.db2.gz PETRMAICAXTJKU-NEPJUHHUSA-N 2 1 278.425 2.263 20 0 CEADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456043 635139663 /nfs/dbraw/zinc/13/96/63/635139663.db2.gz CXCFCWIFBGHEPJ-DDTOSNHZSA-N 2 1 262.401 2.019 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000903481666 635148148 /nfs/dbraw/zinc/14/81/48/635148148.db2.gz JCFMMUUNYVSHFT-PVAVHDDUSA-N 2 1 285.435 2.327 20 0 CEADMP CCO[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000903481554 635148334 /nfs/dbraw/zinc/14/83/34/635148334.db2.gz FZWZVXFIBSYJTL-KBPBESRZSA-N 2 1 252.402 2.066 20 0 CEADMP FC(F)(F)[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)O1 ZINC000903482139 635149789 /nfs/dbraw/zinc/14/97/89/635149789.db2.gz YJDLQGYLZUYODA-SRVKXCTJSA-N 2 1 292.345 2.361 20 0 CEADMP COC[C@H](C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000903481908 635149804 /nfs/dbraw/zinc/14/98/04/635149804.db2.gz PZZSYVKXRVSXBS-JKSUJKDBSA-N 2 1 268.445 2.371 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c(C)nn1 ZINC000903482088 635150200 /nfs/dbraw/zinc/15/02/00/635150200.db2.gz WVVVZGIHJMZNBN-MRXNPFEDSA-N 2 1 274.412 2.059 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c(C)nn1 ZINC000903482088 635150202 /nfs/dbraw/zinc/15/02/02/635150202.db2.gz WVVVZGIHJMZNBN-MRXNPFEDSA-N 2 1 274.412 2.059 20 0 CEADMP C(CC1CC1)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506449 635155495 /nfs/dbraw/zinc/15/54/95/635155495.db2.gz UZTRHNWLRUWJEC-CALCHBBNSA-N 2 1 277.456 2.077 20 0 CEADMP C(CC1CC1)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506449 635155500 /nfs/dbraw/zinc/15/55/00/635155500.db2.gz UZTRHNWLRUWJEC-CALCHBBNSA-N 2 1 277.456 2.077 20 0 CEADMP C(CC1CC1)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506449 635155504 /nfs/dbraw/zinc/15/55/04/635155504.db2.gz UZTRHNWLRUWJEC-CALCHBBNSA-N 2 1 277.456 2.077 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)C1 ZINC000903491193 635157908 /nfs/dbraw/zinc/15/79/08/635157908.db2.gz YXBJHJYBVGMZOU-QMCVQRASSA-N 2 1 256.393 2.387 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000903564987 635164398 /nfs/dbraw/zinc/16/43/98/635164398.db2.gz BGBIIYVYRNFNOP-LBPRGKRZSA-N 2 1 279.453 2.421 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000903564987 635164405 /nfs/dbraw/zinc/16/44/05/635164405.db2.gz BGBIIYVYRNFNOP-LBPRGKRZSA-N 2 1 279.453 2.421 20 0 CEADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCC1 ZINC000903717280 635232607 /nfs/dbraw/zinc/23/26/07/635232607.db2.gz MHYWGTMKJVKFLL-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)CC[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903721818 635234759 /nfs/dbraw/zinc/23/47/59/635234759.db2.gz FIFFUNWDQVXERU-HZPDHXFCSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@@H+](CCc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903721672 635235113 /nfs/dbraw/zinc/23/51/13/635235113.db2.gz CXMGTXRTIKDASV-ZWKOTPCHSA-N 2 1 288.435 2.320 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903723854 635237608 /nfs/dbraw/zinc/23/76/08/635237608.db2.gz YVFKDBSIMJJPMY-HNNXBMFYSA-N 2 1 292.423 2.396 20 0 CEADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H]1C1CCC1 ZINC000903725509 635238775 /nfs/dbraw/zinc/23/87/75/635238775.db2.gz BTXDSESWFIBSED-HRCADAONSA-N 2 1 264.413 2.020 20 0 CEADMP C[C@@H](O)C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CCCCC1 ZINC000903726522 635239780 /nfs/dbraw/zinc/23/97/80/635239780.db2.gz MLUSKLYFHLYESY-HUUCEWRRSA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)C[C@H]1COCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903729632 635241125 /nfs/dbraw/zinc/24/11/25/635241125.db2.gz PQWCUKLSJAGZIM-GJZGRUSLSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)C[C@H]1COCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903729632 635241126 /nfs/dbraw/zinc/24/11/26/635241126.db2.gz PQWCUKLSJAGZIM-GJZGRUSLSA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903764939 635258294 /nfs/dbraw/zinc/25/82/94/635258294.db2.gz CHLDQDNZJGVCLT-FZKCQIBNSA-N 2 1 266.429 2.408 20 0 CEADMP CC1CC(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000903768689 635259494 /nfs/dbraw/zinc/25/94/94/635259494.db2.gz PEPZURKLOVETHP-PEHJNBARSA-N 2 1 266.429 2.393 20 0 CEADMP C[C@@H]1CC(F)(F)CC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903769369 635260018 /nfs/dbraw/zinc/26/00/18/635260018.db2.gz DXAJJWZIGPINMI-CHWSQXEVSA-N 2 1 288.382 2.265 20 0 CEADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903770287 635260579 /nfs/dbraw/zinc/26/05/79/635260579.db2.gz WKLPWCJPPJIING-UONOGXRCSA-N 2 1 266.429 2.123 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCOC2CCOCC2)CCC1 ZINC000903811585 635286307 /nfs/dbraw/zinc/28/63/07/635286307.db2.gz NLPSPXCGKGRXRZ-MRXNPFEDSA-N 2 1 296.455 2.166 20 0 CEADMP [NH3+][C@@H]1c2ccccc2C[C@H]1NCc1ccc2c(c1)C[NH2+]CC2 ZINC000903819310 635288997 /nfs/dbraw/zinc/28/89/97/635288997.db2.gz FYIWTFSWAVZJJU-RTBURBONSA-N 2 1 293.414 2.047 20 0 CEADMP CC1(C)CCC[C@@H](C[N@H+]2CC[NH2+]CCC23CCOCC3)O1 ZINC000903819699 635289399 /nfs/dbraw/zinc/28/93/99/635289399.db2.gz MITWRCRNRAVYDL-HNNXBMFYSA-N 2 1 296.455 2.179 20 0 CEADMP C(C[N@H+]1CCCSC[C@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000903826958 635294420 /nfs/dbraw/zinc/29/44/20/635294420.db2.gz PCVKCBHAYNZXAV-OCCSQVGLSA-N 2 1 254.443 2.204 20 0 CEADMP C[C@@H]1CCOCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903832291 635296617 /nfs/dbraw/zinc/29/66/17/635296617.db2.gz PHZFXJDBEBGQFG-FFHGMXDLSA-N 2 1 252.402 2.018 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc3c(c1)OC(F)(F)O3)C2 ZINC000903838295 635298419 /nfs/dbraw/zinc/29/84/19/635298419.db2.gz BMCQBAIYCWZLGY-SRVKXCTJSA-N 2 1 296.317 2.320 20 0 CEADMP FC1(F)CC[C@H](C[N@H+]2CC[NH2+]CCC23CCOCC3)C1 ZINC000903818216 635299573 /nfs/dbraw/zinc/29/95/73/635299573.db2.gz BNKRAEUEHOYRIR-ZDUSSCGKSA-N 2 1 288.382 2.266 20 0 CEADMP CC[N@@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)[C@@H](C)C(C)C ZINC000903889410 635316831 /nfs/dbraw/zinc/31/68/31/635316831.db2.gz RQTHPNQWLGNQSJ-ZFWWWQNUSA-N 2 1 280.460 2.212 20 0 CEADMP CC(C)(C)N1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903889614 635316847 /nfs/dbraw/zinc/31/68/47/635316847.db2.gz UDMKTQZWDDXIKU-MQVJKMGUSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)(C)[N@@H+]1CCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903889614 635316852 /nfs/dbraw/zinc/31/68/52/635316852.db2.gz UDMKTQZWDDXIKU-MQVJKMGUSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)(C)[N@H+]1CCCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903889614 635316859 /nfs/dbraw/zinc/31/68/59/635316859.db2.gz UDMKTQZWDDXIKU-MQVJKMGUSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)C[C@@H]1CCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903884054 635325866 /nfs/dbraw/zinc/32/58/66/635325866.db2.gz PZGPMLPKMUHMFW-LSDHHAIUSA-N 2 1 291.443 2.213 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903884742 635327604 /nfs/dbraw/zinc/32/76/04/635327604.db2.gz ABKZIAFBDCWUEB-CYBMUJFWSA-N 2 1 277.403 2.021 20 0 CEADMP COc1ccc(C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1O ZINC000903885966 635327829 /nfs/dbraw/zinc/32/78/29/635327829.db2.gz MTHMYNRTMGPVIG-GOOCMWNKSA-N 2 1 290.407 2.363 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H](C)CCC[C@H]2C)cnn1C ZINC000903897024 635333851 /nfs/dbraw/zinc/33/38/51/635333851.db2.gz XVAJGGGSLVKUDZ-SQWLQELKSA-N 2 1 292.471 2.356 20 0 CEADMP CCC[C@@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903897992 635334121 /nfs/dbraw/zinc/33/41/21/635334121.db2.gz KXJURVDNVIJSFF-HUUCEWRRSA-N 2 1 291.443 2.215 20 0 CEADMP Cc1ccncc1C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903909541 635342861 /nfs/dbraw/zinc/34/28/61/635342861.db2.gz WERPBRRFSISCIZ-VHRNVKJDSA-N 2 1 259.397 2.352 20 0 CEADMP C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903909248 635343521 /nfs/dbraw/zinc/34/35/21/635343521.db2.gz SCJZVYMKFXIGID-YOEHRIQHSA-N 2 1 288.435 2.458 20 0 CEADMP Cc1cccc(OC[C@H](C)[NH2+]C[C@@H]([NH3+])CC(F)F)c1 ZINC000903919520 635349211 /nfs/dbraw/zinc/34/92/11/635349211.db2.gz DHHGEQMRSABCFK-RYUDHWBXSA-N 2 1 272.339 2.334 20 0 CEADMP C[C@@H](COc1cccc(F)c1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903922327 635350262 /nfs/dbraw/zinc/35/02/62/635350262.db2.gz VHUOOSFOODBZTG-ONGXEEELSA-N 2 1 276.302 2.165 20 0 CEADMP CCOc1ccccc1CC[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903923018 635352042 /nfs/dbraw/zinc/35/20/42/635352042.db2.gz JPYMJCQIQFQTLJ-GFCCVEGCSA-N 2 1 272.339 2.200 20 0 CEADMP CSc1ccc(C[NH2+]C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903925949 635353203 /nfs/dbraw/zinc/35/32/03/635353203.db2.gz JIEDSJOGBMSWEL-JTQLQIEISA-N 2 1 260.353 2.481 20 0 CEADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2(CCC2)CO1 ZINC000903933127 635358692 /nfs/dbraw/zinc/35/86/92/635358692.db2.gz YQVABGOCCYCCEB-AVOUXACISA-N 2 1 264.413 2.160 20 0 CEADMP CC(C)([NH3+])CC[NH2+]Cc1ccc(Br)cn1 ZINC000903938444 635363806 /nfs/dbraw/zinc/36/38/06/635363806.db2.gz BAUFBOOQHSEFBO-UHFFFAOYSA-N 2 1 272.190 2.061 20 0 CEADMP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1CCC(C)(C)C1 ZINC000903915822 635363943 /nfs/dbraw/zinc/36/39/43/635363943.db2.gz CAVVBXYWXRDSEV-ZIAGYGMSSA-N 2 1 291.443 2.213 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000903918288 635366624 /nfs/dbraw/zinc/36/66/24/635366624.db2.gz WHEPCAQLWSMEQX-AEUSTVAISA-N 3 1 291.483 2.229 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000903946869 635379540 /nfs/dbraw/zinc/37/95/40/635379540.db2.gz GAGOKRUHXMOUMB-UHFFFAOYSA-N 2 1 262.353 2.119 20 0 CEADMP COCc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955538 635388986 /nfs/dbraw/zinc/38/89/86/635388986.db2.gz UWAAHATVSRDKHV-AWEZNQCLSA-N 2 1 284.350 2.167 20 0 CEADMP COc1ccc2oc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3C)cc2c1 ZINC000903967078 635401236 /nfs/dbraw/zinc/40/12/36/635401236.db2.gz GOHBUEHDDULDMM-YPMHNXCESA-N 2 1 274.364 2.387 20 0 CEADMP COCCOC[C@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904325440 635571873 /nfs/dbraw/zinc/57/18/73/635571873.db2.gz ZJMZKNWQOHFFBE-LSDHHAIUSA-N 2 1 286.460 2.125 20 0 CEADMP COCCOC[C@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904325440 635571875 /nfs/dbraw/zinc/57/18/75/635571875.db2.gz ZJMZKNWQOHFFBE-LSDHHAIUSA-N 2 1 286.460 2.125 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)C1 ZINC000904346283 635581822 /nfs/dbraw/zinc/58/18/22/635581822.db2.gz STYJTLRNABHAES-OSAQELSMSA-N 2 1 264.344 2.016 20 0 CEADMP CC(C)(C)[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC000904346925 635582818 /nfs/dbraw/zinc/58/28/18/635582818.db2.gz ZUNVVGNEDHOLQJ-DZKIICNBSA-N 2 1 268.445 2.105 20 0 CEADMP C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904347522 635582961 /nfs/dbraw/zinc/58/29/61/635582961.db2.gz IDHFYEUUZMAKAJ-UKKRHICBSA-N 2 1 250.308 2.387 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1C ZINC000904358702 635590185 /nfs/dbraw/zinc/59/01/85/635590185.db2.gz RNAHLHZVRSGFBC-INIZCTEOSA-N 2 1 290.407 2.389 20 0 CEADMP C[C@@H](CO)C1CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904375637 635600590 /nfs/dbraw/zinc/60/05/90/635600590.db2.gz CXJOLQCBDMUPLN-ZFWWWQNUSA-N 2 1 270.461 2.480 20 0 CEADMP C[C@@]1(CN2CCC([C@H]3CCC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000904377508 635602874 /nfs/dbraw/zinc/60/28/74/635602874.db2.gz RLYHGTGFWORUNV-DLBZAZTESA-N 2 1 279.472 2.088 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC000904377535 635603575 /nfs/dbraw/zinc/60/35/75/635603575.db2.gz RYWWNJGDVPBWSW-IAGOWNOFSA-N 3 1 279.472 2.088 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@@H]1CO ZINC000904380410 635604922 /nfs/dbraw/zinc/60/49/22/635604922.db2.gz LXTYAAVSTIUDOV-MCIONIFRSA-N 2 1 256.434 2.090 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@@H]1CO ZINC000904380410 635604923 /nfs/dbraw/zinc/60/49/23/635604923.db2.gz LXTYAAVSTIUDOV-MCIONIFRSA-N 2 1 256.434 2.090 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000904405392 635612255 /nfs/dbraw/zinc/61/22/55/635612255.db2.gz GVLKABUGKOBIFS-YPMHNXCESA-N 2 1 281.425 2.165 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000904407242 635615505 /nfs/dbraw/zinc/61/55/05/635615505.db2.gz RAWYYLTXFNAKNX-CYBMUJFWSA-N 2 1 288.395 2.159 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000904410417 635617232 /nfs/dbraw/zinc/61/72/32/635617232.db2.gz DIJUEYKAAIOUCH-CHWSQXEVSA-N 2 1 278.396 2.121 20 0 CEADMP C[C@@H]1C[N@H+](C[C@H]([NH3+])CCC(C)(C)C)CC[C@H]1C[NH3+] ZINC000904410573 635617293 /nfs/dbraw/zinc/61/72/93/635617293.db2.gz OWHBAOAYDIRVPN-HZSPNIEDSA-N 3 1 255.450 2.057 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)CC[C@H]1C[NH3+] ZINC000904410573 635617296 /nfs/dbraw/zinc/61/72/96/635617296.db2.gz OWHBAOAYDIRVPN-HZSPNIEDSA-N 3 1 255.450 2.057 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000904411731 635619329 /nfs/dbraw/zinc/61/93/29/635619329.db2.gz XHTHUFOOGBRWTN-GOEBONIOSA-N 2 1 290.455 2.343 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc(OC)c1 ZINC000904412284 635620610 /nfs/dbraw/zinc/62/06/10/635620610.db2.gz RLGFRQHVIQSZGG-OCCSQVGLSA-N 2 1 278.396 2.121 20 0 CEADMP C[NH+](C)C1(C)CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000825374449 635626702 /nfs/dbraw/zinc/62/67/02/635626702.db2.gz NPESADZOZLHSFF-UHFFFAOYSA-N 2 1 297.487 2.343 20 0 CEADMP Cc1csc(C[C@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000904434047 635628463 /nfs/dbraw/zinc/62/84/63/635628463.db2.gz SWDAQFZIYDUZQM-HIFRSBDPSA-N 2 1 279.453 2.316 20 0 CEADMP Cc1cc(C[NH2+]CC2([NH3+])CC2)cc(C)c1OC(F)F ZINC000904450819 635642214 /nfs/dbraw/zinc/64/22/14/635642214.db2.gz TVMPPWZNYPFHQG-UHFFFAOYSA-N 2 1 270.323 2.486 20 0 CEADMP Cc1[nH]ncc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904458666 635644855 /nfs/dbraw/zinc/64/48/55/635644855.db2.gz DWIIYPNOHHHVRM-UHFFFAOYSA-N 2 1 284.407 2.211 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@H](Cc3nccs3)C2)CC[NH2+]C1 ZINC000904470535 635646989 /nfs/dbraw/zinc/64/69/89/635646989.db2.gz ZFDJIVJMNARNNE-TZMCWYRMSA-N 2 1 265.426 2.007 20 0 CEADMP C[C@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCN1c1ccccc1 ZINC000904469625 635647484 /nfs/dbraw/zinc/64/74/84/635647484.db2.gz NZMFVKSTPKUMOG-RDJZCZTQSA-N 2 1 273.424 2.197 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCN1c1ccccc1 ZINC000904469625 635647488 /nfs/dbraw/zinc/64/74/88/635647488.db2.gz NZMFVKSTPKUMOG-RDJZCZTQSA-N 2 1 273.424 2.197 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000905047992 635787630 /nfs/dbraw/zinc/78/76/30/635787630.db2.gz WFVXRUVJOQVTCW-VNHYZAJKSA-N 2 1 292.414 2.350 20 0 CEADMP CC[C@](O)(C[NH2+]CCCC[N@@H+](C)C1CC1)C(F)(F)F ZINC000905279986 636205920 /nfs/dbraw/zinc/20/59/20/636205920.db2.gz LOBBWRWGOGHUCG-LBPRGKRZSA-N 2 1 282.350 2.154 20 0 CEADMP CC[C@](O)(C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C(F)(F)F ZINC000905284247 636209156 /nfs/dbraw/zinc/20/91/56/636209156.db2.gz ACZPHVUHMOBPGK-RYUDHWBXSA-N 2 1 282.350 2.011 20 0 CEADMP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000905318313 636216919 /nfs/dbraw/zinc/21/69/19/636216919.db2.gz BEUZTFQXCYSPSH-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000905666361 636374283 /nfs/dbraw/zinc/37/42/83/636374283.db2.gz JPYNSQBWFIERNV-BSDSXHPESA-N 2 1 288.435 2.258 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000905666361 636374291 /nfs/dbraw/zinc/37/42/91/636374291.db2.gz JPYNSQBWFIERNV-BSDSXHPESA-N 2 1 288.435 2.258 20 0 CEADMP Cc1nc(N2C[C@@H]3C[C@H]2C[NH2+]3)cc(Nc2ccccc2)[nH+]1 ZINC000905644341 636379540 /nfs/dbraw/zinc/37/95/40/636379540.db2.gz ITGZYNUQHNNTSZ-KBPBESRZSA-N 2 1 281.363 2.079 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CCC1CCC(F)(F)CC1)C1CC1 ZINC000905678051 636390772 /nfs/dbraw/zinc/39/07/72/636390772.db2.gz HZUKVVNCLXVKLO-CQSZACIVSA-N 2 1 290.398 2.247 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CCC1CCC(F)(F)CC1)C1CC1 ZINC000905678051 636390775 /nfs/dbraw/zinc/39/07/75/636390775.db2.gz HZUKVVNCLXVKLO-CQSZACIVSA-N 2 1 290.398 2.247 20 0 CEADMP CC(C)c1[nH+]ccn1CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000828966080 636738854 /nfs/dbraw/zinc/73/88/54/636738854.db2.gz WFWPPSPRSMTZLN-CZUORRHYSA-N 2 1 292.427 2.030 20 0 CEADMP CN(Cc1cc2c(cc[nH]c2=O)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000876598360 650354188 /nfs/dbraw/zinc/35/41/88/650354188.db2.gz UZIWXPWHQAWLOQ-GFCCVEGCSA-N 2 1 289.379 2.307 20 0 CEADMP CC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)[C@H](C)C1 ZINC000910289573 637980212 /nfs/dbraw/zinc/98/02/12/637980212.db2.gz SCOGOQYLJWTJKB-FPCVCCKLSA-N 2 1 295.471 2.190 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C)C1CCCCC1 ZINC000876723491 650410404 /nfs/dbraw/zinc/41/04/04/650410404.db2.gz CCOZXFRNGWYHOE-CABCVRRESA-N 2 1 295.471 2.131 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000911920711 638466994 /nfs/dbraw/zinc/46/69/94/638466994.db2.gz LKHSGMZAMFQVJH-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP CC[N@@H+](CC(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C)C1CC1 ZINC000912809148 639025712 /nfs/dbraw/zinc/02/57/12/639025712.db2.gz DIBNLZGOXMDYHB-GDBMZVCRSA-N 2 1 295.471 2.050 20 0 CEADMP CCOP(=O)(CCC[NH2+]C1CC[NH+](C)CC1)OCC ZINC000876897510 650478009 /nfs/dbraw/zinc/47/80/09/650478009.db2.gz CLIUZAAREKCBSE-UHFFFAOYSA-N 2 1 292.360 2.326 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000156760094 639388157 /nfs/dbraw/zinc/38/81/57/639388157.db2.gz QRLRRDYAEGCSIU-KGLIPLIRSA-N 2 1 278.396 2.132 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000156760094 639388165 /nfs/dbraw/zinc/38/81/65/639388165.db2.gz QRLRRDYAEGCSIU-KGLIPLIRSA-N 2 1 278.396 2.132 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226336159 639538157 /nfs/dbraw/zinc/53/81/57/639538157.db2.gz VYGXKSFOFSXSNJ-RRFJBIMHSA-N 2 1 283.460 2.131 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226336159 639538163 /nfs/dbraw/zinc/53/81/63/639538163.db2.gz VYGXKSFOFSXSNJ-RRFJBIMHSA-N 2 1 283.460 2.131 20 0 CEADMP CC(C)C[N@@H+](CCC[NH3+])C[C@@H](O)c1ccc(F)cc1 ZINC000841008643 639615841 /nfs/dbraw/zinc/61/58/41/639615841.db2.gz CARQEDCAIHQLES-OAHLLOKOSA-N 2 1 268.376 2.166 20 0 CEADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000841063841 639639222 /nfs/dbraw/zinc/63/92/22/639639222.db2.gz QRFAUHVRFFHTLP-KBXIAJHMSA-N 2 1 254.418 2.168 20 0 CEADMP CN1c2ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc2CCC1=O ZINC000841087969 639651684 /nfs/dbraw/zinc/65/16/84/639651684.db2.gz UJCWRBYDSGKYAM-HNNXBMFYSA-N 2 1 289.423 2.059 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000877030754 650538057 /nfs/dbraw/zinc/53/80/57/650538057.db2.gz ITKOFRUDNDUMIU-JYYAWHABSA-N 2 1 278.440 2.266 20 0 CEADMP Cc1cc(C)cc(CC[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000877021786 650534799 /nfs/dbraw/zinc/53/47/99/650534799.db2.gz KOZFWNJBMIVZQI-QZTJIDSGSA-N 2 1 288.435 2.299 20 0 CEADMP Cc1cc(C)cc(CC[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000877021786 650534803 /nfs/dbraw/zinc/53/48/03/650534803.db2.gz KOZFWNJBMIVZQI-QZTJIDSGSA-N 2 1 288.435 2.299 20 0 CEADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929688470 640019705 /nfs/dbraw/zinc/01/97/05/640019705.db2.gz TUEDGSFGOVXSDA-HRCADAONSA-N 2 1 294.439 2.136 20 0 CEADMP CCCCCC[C@@H](C)NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000842476213 640075109 /nfs/dbraw/zinc/07/51/09/640075109.db2.gz JHKUFBNGPWCSAS-CABCVRRESA-N 2 1 297.487 2.439 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000842476314 640075164 /nfs/dbraw/zinc/07/51/64/640075164.db2.gz LQEVQOKJAVSXOX-AWEZNQCLSA-N 2 1 270.417 2.313 20 0 CEADMP CC[C@H](CO)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929754098 640085651 /nfs/dbraw/zinc/08/56/51/640085651.db2.gz JASMBBCCRVPMBI-IAGOWNOFSA-N 2 1 276.424 2.211 20 0 CEADMP CC[C@H](CO)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000929754098 640085654 /nfs/dbraw/zinc/08/56/54/640085654.db2.gz JASMBBCCRVPMBI-IAGOWNOFSA-N 2 1 276.424 2.211 20 0 CEADMP CC[C@H](CO)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000929754098 640085660 /nfs/dbraw/zinc/08/56/60/640085660.db2.gz JASMBBCCRVPMBI-IAGOWNOFSA-N 2 1 276.424 2.211 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2[nH]c(C)nc2C)C1 ZINC000929780392 640188212 /nfs/dbraw/zinc/18/82/12/640188212.db2.gz RFIBJNWBIAXXFW-AWEZNQCLSA-N 2 1 264.417 2.190 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CCN(Cc2[nH]c(C)[nH+]c2C)C1 ZINC000929780392 640188216 /nfs/dbraw/zinc/18/82/16/640188216.db2.gz RFIBJNWBIAXXFW-AWEZNQCLSA-N 2 1 264.417 2.190 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2[nH]c(C)[nH+]c2C)C1 ZINC000929780392 640188217 /nfs/dbraw/zinc/18/82/17/640188217.db2.gz RFIBJNWBIAXXFW-AWEZNQCLSA-N 2 1 264.417 2.190 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2N)C1 ZINC000877074089 650560406 /nfs/dbraw/zinc/56/04/06/650560406.db2.gz ZDDVMPFPTVNARB-STQMWFEESA-N 2 1 265.376 2.370 20 0 CEADMP COCCOc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000843056088 640258076 /nfs/dbraw/zinc/25/80/76/640258076.db2.gz YPAIHEJHMPFQNR-UHFFFAOYSA-N 2 1 292.423 2.414 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(-c2nc(CC[NH3+])no2)cc1 ZINC000843130457 640296570 /nfs/dbraw/zinc/29/65/70/640296570.db2.gz BBKIPYBCPFTSEO-UHFFFAOYSA-N 2 1 288.395 2.470 20 0 CEADMP CC[N@@H+](Cc1ccc(-c2nc(CC[NH3+])no2)cc1)C(C)C ZINC000843131395 640297168 /nfs/dbraw/zinc/29/71/68/640297168.db2.gz SOCRWVOMSVYUAQ-UHFFFAOYSA-N 2 1 288.395 2.468 20 0 CEADMP C[C@](C[NH3+])([NH2+]CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000843355810 640401472 /nfs/dbraw/zinc/40/14/72/640401472.db2.gz JVHFMBJDXJJPFN-VHSXEESVSA-N 2 1 251.201 2.287 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000843362833 640405342 /nfs/dbraw/zinc/40/53/42/640405342.db2.gz SAQBRDITTIYGBP-RRFJBIMHSA-N 2 1 283.460 2.131 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000843362833 640405347 /nfs/dbraw/zinc/40/53/47/640405347.db2.gz SAQBRDITTIYGBP-RRFJBIMHSA-N 2 1 283.460 2.131 20 0 CEADMP C[C@@H](CNC(=O)CCCCCC[NH3+])[N@H+]1CCCC[C@H]1C ZINC000844172255 640623091 /nfs/dbraw/zinc/62/30/91/640623091.db2.gz SFAREYZGSGZCME-CABCVRRESA-N 2 1 283.460 2.275 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000844221495 640635564 /nfs/dbraw/zinc/63/55/64/640635564.db2.gz ORESJEDFEYCHTC-MRXNPFEDSA-N 3 1 267.461 2.313 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CCC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000844280837 640654862 /nfs/dbraw/zinc/65/48/62/640654862.db2.gz WUPAKTNMVQUGJY-JQWIXIFHSA-N 2 1 295.254 2.005 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000844280837 640654869 /nfs/dbraw/zinc/65/48/69/640654869.db2.gz WUPAKTNMVQUGJY-JQWIXIFHSA-N 2 1 295.254 2.005 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993758181 640674626 /nfs/dbraw/zinc/67/46/26/640674626.db2.gz ICGFABJULYIEGS-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCOC2CC2)cc1 ZINC000930117547 641116136 /nfs/dbraw/zinc/11/61/36/641116136.db2.gz QDTWOVVSOSFRIT-UHFFFAOYSA-N 2 1 262.397 2.359 20 0 CEADMP CCOC(=O)N1CCC([NH2+]CCC[N@@H+](C)CC(C)C)CC1 ZINC000845995790 641147096 /nfs/dbraw/zinc/14/70/96/641147096.db2.gz GRHMZWFBUMODKX-UHFFFAOYSA-N 2 1 299.459 2.175 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@](C)(O)c1ccccc1 ZINC000846044829 641163244 /nfs/dbraw/zinc/16/32/44/641163244.db2.gz QKIOAOMTPWVNOP-KSSFIOAISA-N 2 1 288.435 2.499 20 0 CEADMP CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846218712 641227246 /nfs/dbraw/zinc/22/72/46/641227246.db2.gz WVZKTEWOTVEQPJ-OAHLLOKOSA-N 2 1 297.487 2.380 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1CN1CCCCC1 ZINC000846221841 641231766 /nfs/dbraw/zinc/23/17/66/641231766.db2.gz RCWZUBHUWVWETO-INIZCTEOSA-N 2 1 267.461 2.456 20 0 CEADMP [NH3+]CCCCCCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000846221841 641231776 /nfs/dbraw/zinc/23/17/76/641231776.db2.gz RCWZUBHUWVWETO-INIZCTEOSA-N 2 1 267.461 2.456 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](CC3(Br)CC3)CC[C@H]21 ZINC000846816348 641431532 /nfs/dbraw/zinc/43/15/32/641431532.db2.gz FUNGFDVRNKFKEC-VXGBXAGGSA-N 2 1 287.245 2.330 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3(Br)CC3)CC[C@H]21 ZINC000846816348 641431537 /nfs/dbraw/zinc/43/15/37/641431537.db2.gz FUNGFDVRNKFKEC-VXGBXAGGSA-N 2 1 287.245 2.330 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3(Br)CC3)CC[C@H]21 ZINC000846816348 641431545 /nfs/dbraw/zinc/43/15/45/641431545.db2.gz FUNGFDVRNKFKEC-VXGBXAGGSA-N 2 1 287.245 2.330 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(Br)CC3)CC[C@H]21 ZINC000846816348 641431550 /nfs/dbraw/zinc/43/15/50/641431550.db2.gz FUNGFDVRNKFKEC-VXGBXAGGSA-N 2 1 287.245 2.330 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](CC2(Br)CC2)CC1 ZINC000846873554 641462650 /nfs/dbraw/zinc/46/26/50/641462650.db2.gz CIPFAEUELFSXJB-NSHDSACASA-N 2 1 275.234 2.330 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2(Br)CC2)CC1 ZINC000846873554 641462652 /nfs/dbraw/zinc/46/26/52/641462652.db2.gz CIPFAEUELFSXJB-NSHDSACASA-N 2 1 275.234 2.330 20 0 CEADMP CC1CC[NH+](CCC[NH2+]Cc2c3c(nn2C)CCC3)CC1 ZINC000921500408 642031322 /nfs/dbraw/zinc/03/13/22/642031322.db2.gz MGZNMDLCUJAGCU-UHFFFAOYSA-N 2 1 290.455 2.120 20 0 CEADMP C[C@H](C[NH2+]Cc1cnc(Cl)n1C)C[NH+]1CCCCC1 ZINC000848530361 642036566 /nfs/dbraw/zinc/03/65/66/642036566.db2.gz FCNSTLAJVRJWHP-GFCCVEGCSA-N 2 1 284.835 2.285 20 0 CEADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995791359 642075968 /nfs/dbraw/zinc/07/59/68/642075968.db2.gz GKOZXCAHMWAXTM-HUUCEWRRSA-N 2 1 295.471 2.094 20 0 CEADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])NC2CCCCCC2)C1 ZINC000849005032 642222225 /nfs/dbraw/zinc/22/22/25/642222225.db2.gz RPAQVIRCZWTEQC-ZDUSSCGKSA-N 2 1 266.433 2.165 20 0 CEADMP CC(C)[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997180628 642228255 /nfs/dbraw/zinc/22/82/55/642228255.db2.gz LCYGGWZKHRDXTD-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP CN(C)C(=[NH2+])NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000849035193 642246826 /nfs/dbraw/zinc/24/68/26/642246826.db2.gz AJMYSKGOHVRECT-UHFFFAOYSA-N 2 1 274.412 2.127 20 0 CEADMP CN(C)C(=[NH2+])NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000849035193 642246831 /nfs/dbraw/zinc/24/68/31/642246831.db2.gz AJMYSKGOHVRECT-UHFFFAOYSA-N 2 1 274.412 2.127 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCC(F)CC1 ZINC000849046600 642255792 /nfs/dbraw/zinc/25/57/92/642255792.db2.gz WKMVFUZWGPOWRF-RUXDESIVSA-N 2 1 284.423 2.113 20 0 CEADMP CC[NH+](CC)[C@H](CNC1=[NH+]CCCCN1)c1ccccc1 ZINC000849214932 642284713 /nfs/dbraw/zinc/28/47/13/642284713.db2.gz DBSLCFOYRXCORS-MRXNPFEDSA-N 2 1 288.439 2.399 20 0 CEADMP CC(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999137503 642463187 /nfs/dbraw/zinc/46/31/87/642463187.db2.gz NIWBNFKCTJSYHD-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC)C1 ZINC001000665498 642638530 /nfs/dbraw/zinc/63/85/30/642638530.db2.gz SWPHNPHJTAMPJE-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP FC1(F)[C@@H]2CCCO[C@@]21C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000850379564 642690633 /nfs/dbraw/zinc/69/06/33/642690633.db2.gz BJTBEDVDANNZSR-FQUUOJAGSA-N 2 1 286.366 2.017 20 0 CEADMP FC1(F)[C@@H]2CCCO[C@@]21C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000850379564 642690634 /nfs/dbraw/zinc/69/06/34/642690634.db2.gz BJTBEDVDANNZSR-FQUUOJAGSA-N 2 1 286.366 2.017 20 0 CEADMP CC(C)CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003629077 642962522 /nfs/dbraw/zinc/96/25/22/642962522.db2.gz YAVLYPYJBRLWSL-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000922283435 643000436 /nfs/dbraw/zinc/00/04/36/643000436.db2.gz AFAADEVCYJYRME-LBPRGKRZSA-N 2 1 289.379 2.355 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000922283435 643000442 /nfs/dbraw/zinc/00/04/42/643000442.db2.gz AFAADEVCYJYRME-LBPRGKRZSA-N 2 1 289.379 2.355 20 0 CEADMP CC[C@H](C)C[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922387934 643056776 /nfs/dbraw/zinc/05/67/76/643056776.db2.gz MZLJVXSZWGQNJA-GCSSGZNBSA-N 2 1 268.445 2.102 20 0 CEADMP CC1([NH+]2CCCC2)CCC([NH2+]Cc2c[nH]cn2)CC1 ZINC000922504468 643099662 /nfs/dbraw/zinc/09/96/62/643099662.db2.gz NOSGSPRGVYMRRU-UHFFFAOYSA-N 2 1 262.401 2.296 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CC[C@H]2COC(C)(C)O2)CC1 ZINC000851797184 643168486 /nfs/dbraw/zinc/16/84/86/643168486.db2.gz OWGPWJOUKFHHAO-HNNXBMFYSA-N 2 1 284.444 2.334 20 0 CEADMP Cc1nccn1CCC[N@H+](C)CC[C@@H]1COC(C)(C)O1 ZINC000851859910 643195416 /nfs/dbraw/zinc/19/54/16/643195416.db2.gz CDEKNFNAMWZUFR-CQSZACIVSA-N 2 1 281.400 2.055 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@@H]1COC(C)(C)O1 ZINC000851859910 643195421 /nfs/dbraw/zinc/19/54/21/643195421.db2.gz CDEKNFNAMWZUFR-CQSZACIVSA-N 2 1 281.400 2.055 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@@H]1COC(C)(C)O1 ZINC000851859910 643195427 /nfs/dbraw/zinc/19/54/27/643195427.db2.gz CDEKNFNAMWZUFR-CQSZACIVSA-N 2 1 281.400 2.055 20 0 CEADMP CCO[C@H](C[NH2+]C[C@H](C)c1ccc(F)cc1)C[NH+](C)C ZINC000922758037 643247540 /nfs/dbraw/zinc/24/75/40/643247540.db2.gz OUIMBKAQBWYXDQ-XJKSGUPXSA-N 2 1 282.403 2.486 20 0 CEADMP Cc1c[nH]nc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922844868 643293342 /nfs/dbraw/zinc/29/33/42/643293342.db2.gz IXBDWAUTWWSCRK-UHFFFAOYSA-N 2 1 262.401 2.215 20 0 CEADMP CCCCOC(=O)CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852108487 643311034 /nfs/dbraw/zinc/31/10/34/643311034.db2.gz FYKXHZPPKYPHJP-MRXNPFEDSA-N 2 1 282.428 2.138 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852108487 643311037 /nfs/dbraw/zinc/31/10/37/643311037.db2.gz FYKXHZPPKYPHJP-MRXNPFEDSA-N 2 1 282.428 2.138 20 0 CEADMP CCCCOC(=O)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000852108487 643311042 /nfs/dbraw/zinc/31/10/42/643311042.db2.gz FYKXHZPPKYPHJP-MRXNPFEDSA-N 2 1 282.428 2.138 20 0 CEADMP CCCCOC(=O)CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000852108487 643311049 /nfs/dbraw/zinc/31/10/49/643311049.db2.gz FYKXHZPPKYPHJP-MRXNPFEDSA-N 2 1 282.428 2.138 20 0 CEADMP CC[C@@H](C)C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000877663963 650840062 /nfs/dbraw/zinc/84/00/62/650840062.db2.gz DZTSWFFLNOHHIR-CQSZACIVSA-N 2 1 256.434 2.323 20 0 CEADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000922946563 643472678 /nfs/dbraw/zinc/47/26/78/643472678.db2.gz KWHYQSOYMYJEHN-UONOGXRCSA-N 2 1 256.434 2.367 20 0 CEADMP c1c[nH]c([C@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)n1 ZINC000852750443 643534936 /nfs/dbraw/zinc/53/49/36/643534936.db2.gz VKOZCHBHDPRUOU-MRXNPFEDSA-N 2 1 282.391 2.393 20 0 CEADMP c1c[nH]c([C@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)n1 ZINC000852750443 643534942 /nfs/dbraw/zinc/53/49/42/643534942.db2.gz VKOZCHBHDPRUOU-MRXNPFEDSA-N 2 1 282.391 2.393 20 0 CEADMP CCCCOC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000852753702 643537879 /nfs/dbraw/zinc/53/78/79/643537879.db2.gz GSMWECCMLPNCQM-ZBFHGGJFSA-N 2 1 296.455 2.430 20 0 CEADMP CCCCOC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000852753696 643537889 /nfs/dbraw/zinc/53/78/89/643537889.db2.gz GSMWECCMLPNCQM-GDBMZVCRSA-N 2 1 296.455 2.430 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@H]1CCO ZINC000852755204 643538995 /nfs/dbraw/zinc/53/89/95/643538995.db2.gz HBERAPAELMFNKH-GJZGRUSLSA-N 2 1 256.434 2.379 20 0 CEADMP C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C1SCCS1 ZINC000853023344 643624340 /nfs/dbraw/zinc/62/43/40/643624340.db2.gz UELXXXWQVHZOBG-ZDUSSCGKSA-N 2 1 272.483 2.258 20 0 CEADMP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C1SCCS1 ZINC000853023478 643625672 /nfs/dbraw/zinc/62/56/72/643625672.db2.gz YNSCEGORRFPRPO-TXEJJXNPSA-N 2 1 272.483 2.114 20 0 CEADMP O[C@@H](C[N@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000923281181 643637700 /nfs/dbraw/zinc/63/77/00/643637700.db2.gz KVFJFVDDSDYMRX-INIZCTEOSA-N 2 1 278.371 2.076 20 0 CEADMP O[C@@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000923281181 643637703 /nfs/dbraw/zinc/63/77/03/643637703.db2.gz KVFJFVDDSDYMRX-INIZCTEOSA-N 2 1 278.371 2.076 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H](O)c1ccc(F)c(F)c1 ZINC000923294130 643646387 /nfs/dbraw/zinc/64/63/87/643646387.db2.gz HLHRGRUWXSPWQI-GJZGRUSLSA-N 2 1 286.366 2.303 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C1CCC([NH3+])CC1 ZINC000923295352 643647589 /nfs/dbraw/zinc/64/75/89/643647589.db2.gz YHVATDQKKKZLOF-YMAMQOFZSA-N 2 1 266.360 2.061 20 0 CEADMP C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923297637 643648336 /nfs/dbraw/zinc/64/83/36/643648336.db2.gz MQQJEGONDXBGIQ-CQSZACIVSA-N 2 1 280.799 2.150 20 0 CEADMP CCc1oc2ccccc2c1C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923301505 643649594 /nfs/dbraw/zinc/64/95/94/643649594.db2.gz JVXMFEYBNORQQR-CQDKDKBSSA-N 2 1 288.391 2.278 20 0 CEADMP Fc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000853092590 643650067 /nfs/dbraw/zinc/65/00/67/643650067.db2.gz CEDZTEDNJPLKTM-OAHLLOKOSA-N 2 1 277.387 2.432 20 0 CEADMP Fc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000853092590 643650070 /nfs/dbraw/zinc/65/00/70/643650070.db2.gz CEDZTEDNJPLKTM-OAHLLOKOSA-N 2 1 277.387 2.432 20 0 CEADMP C[C@@H](O)C[N@@H+](CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000923305833 643651762 /nfs/dbraw/zinc/65/17/62/643651762.db2.gz GJVCPIKWPZKMDV-CQSZACIVSA-N 2 1 262.397 2.012 20 0 CEADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC2(C1)CCCCC2 ZINC000923313962 643652845 /nfs/dbraw/zinc/65/28/45/643652845.db2.gz NXEGFXRROKHRLZ-AWEZNQCLSA-N 2 1 264.413 2.021 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316258 643654551 /nfs/dbraw/zinc/65/45/51/643654551.db2.gz GBNBDOBCZDIUOE-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP Cc1nc([C@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923312033 643658883 /nfs/dbraw/zinc/65/88/83/643658883.db2.gz GQERAJSZGPFTRH-JALIKCBVSA-N 2 1 290.411 2.436 20 0 CEADMP Cc1nc([C@H]2CCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923312033 643658887 /nfs/dbraw/zinc/65/88/87/643658887.db2.gz GQERAJSZGPFTRH-JALIKCBVSA-N 2 1 290.411 2.436 20 0 CEADMP CCc1onc(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000923332271 643664841 /nfs/dbraw/zinc/66/48/41/643664841.db2.gz KRFQFHMUJGGVGG-YUTCNCBUSA-N 2 1 263.385 2.105 20 0 CEADMP CC[N@@H+](C[C@@H](O)CCC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000923337367 643668869 /nfs/dbraw/zinc/66/88/69/643668869.db2.gz YTXNDGZHYZAVRB-GJZGRUSLSA-N 2 1 256.434 2.248 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000923365182 643680676 /nfs/dbraw/zinc/68/06/76/643680676.db2.gz CMVBTLUUMLXEPY-IAGOWNOFSA-N 2 1 274.408 2.104 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923362939 643683819 /nfs/dbraw/zinc/68/38/19/643683819.db2.gz QXBAFHKCVPOCGN-ZIAGYGMSSA-N 2 1 277.412 2.367 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1C[NH3+] ZINC000923382778 643688108 /nfs/dbraw/zinc/68/81/08/643688108.db2.gz UNCXKNAFRDORAJ-ATLSCFEFSA-N 2 1 290.451 2.285 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000923381888 643688694 /nfs/dbraw/zinc/68/86/94/643688694.db2.gz HMRHBCQWQITEAV-WNCDQNTKSA-N 2 1 298.377 2.303 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCc2ccccc21 ZINC000923388555 643693510 /nfs/dbraw/zinc/69/35/10/643693510.db2.gz SBBORYXPVIWBII-ZBFHGGJFSA-N 2 1 286.419 2.027 20 0 CEADMP C[C@H](CO)[C@@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923393193 643695017 /nfs/dbraw/zinc/69/50/17/643695017.db2.gz ZCVNNUVVJTZFNS-ZCRFILTFSA-N 2 1 280.456 2.390 20 0 CEADMP N[C@@H]1CCCCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923413644 643702317 /nfs/dbraw/zinc/70/23/17/643702317.db2.gz WWAORUKLSBCXJJ-VIYLOZMYSA-N 2 1 265.445 2.110 20 0 CEADMP N[C@@H]1CCCCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923413644 643702321 /nfs/dbraw/zinc/70/23/21/643702321.db2.gz WWAORUKLSBCXJJ-VIYLOZMYSA-N 2 1 265.445 2.110 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](CCc2cccc(F)c2)C[C@H]1C(F)(F)F ZINC000923426765 643706024 /nfs/dbraw/zinc/70/60/24/643706024.db2.gz QKNCUPYJIOESHL-WCQYABFASA-N 2 1 290.304 2.437 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CCc2cccc(F)c2)C[C@H]1C(F)(F)F ZINC000923426765 643706029 /nfs/dbraw/zinc/70/60/29/643706029.db2.gz QKNCUPYJIOESHL-WCQYABFASA-N 2 1 290.304 2.437 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C(C)(C)O1 ZINC000923454851 643722420 /nfs/dbraw/zinc/72/24/20/643722420.db2.gz PEFUQAJDNWPKJC-BFHYXJOUSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000923486417 643729947 /nfs/dbraw/zinc/72/99/47/643729947.db2.gz GHLQCPIHMQWOHC-GJZGRUSLSA-N 2 1 289.423 2.301 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)C1CCCCC1 ZINC000923480054 643731081 /nfs/dbraw/zinc/73/10/81/643731081.db2.gz DSJDVLWVRARTBQ-HIFRSBDPSA-N 2 1 254.418 2.252 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923483951 643733249 /nfs/dbraw/zinc/73/32/49/643733249.db2.gz UDCAWFPLSXHLSA-OAHLLOKOSA-N 2 1 262.397 2.353 20 0 CEADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923491315 643735924 /nfs/dbraw/zinc/73/59/24/643735924.db2.gz HUAVMWCBWZZFCE-RYUDHWBXSA-N 2 1 295.814 2.338 20 0 CEADMP CC(C)c1noc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923502532 643738291 /nfs/dbraw/zinc/73/82/91/643738291.db2.gz ZNSMIDRURXSKSV-SRVKXCTJSA-N 2 1 266.389 2.171 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923502135 643738557 /nfs/dbraw/zinc/73/85/57/643738557.db2.gz YXJHOBCEZUAIKB-JKSUJKDBSA-N 2 1 297.487 2.332 20 0 CEADMP CCc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923503415 643739792 /nfs/dbraw/zinc/73/97/92/643739792.db2.gz HZKCPHMASLNGEI-ZFWWWQNUSA-N 2 1 289.423 2.104 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccncc2Cl)CC[C@H]1C[NH3+] ZINC000923502733 643739917 /nfs/dbraw/zinc/73/99/17/643739917.db2.gz YVSGEKDEQZJULE-QWRGUYRKSA-N 2 1 253.777 2.152 20 0 CEADMP CC(C)CCc1noc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923499309 643740371 /nfs/dbraw/zinc/74/03/71/643740371.db2.gz SBJHNBCIQHPWNG-STQMWFEESA-N 2 1 280.416 2.075 20 0 CEADMP CC(C)CCc1noc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923499309 643740373 /nfs/dbraw/zinc/74/03/73/643740373.db2.gz SBJHNBCIQHPWNG-STQMWFEESA-N 2 1 280.416 2.075 20 0 CEADMP CO[C@H](C)c1nc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cs1 ZINC000923499781 643740393 /nfs/dbraw/zinc/74/03/93/643740393.db2.gz MAGDLNOHZWACOL-UTUOFQBUSA-N 2 1 283.441 2.267 20 0 CEADMP CO[C@H](C)c1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cs1 ZINC000923499781 643740398 /nfs/dbraw/zinc/74/03/98/643740398.db2.gz MAGDLNOHZWACOL-UTUOFQBUSA-N 2 1 283.441 2.267 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923499654 643740754 /nfs/dbraw/zinc/74/07/54/643740754.db2.gz MQLOYVMRIAAPBT-HRCADAONSA-N 2 1 297.487 2.378 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)CC[C@H]1C[NH3+] ZINC000923500940 643742498 /nfs/dbraw/zinc/74/24/98/643742498.db2.gz SGNOFTFWVLIJMN-MNOVXSKESA-N 2 1 254.324 2.382 20 0 CEADMP C[C@H](COCc1ccccc1)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515370 643747055 /nfs/dbraw/zinc/74/70/55/643747055.db2.gz FAMHOXPJQAYRMJ-RYQLBKOJSA-N 2 1 288.435 2.381 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517268 643748629 /nfs/dbraw/zinc/74/86/29/643748629.db2.gz CGIULPISDDSZIW-JKSUJKDBSA-N 2 1 274.408 2.305 20 0 CEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccc(=O)[nH]1 ZINC000923554887 643759826 /nfs/dbraw/zinc/75/98/26/643759826.db2.gz RLRPNRLYMXXQJS-AGUYFDCRSA-N 2 1 275.396 2.140 20 0 CEADMP Cc1csc(C[C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000923551079 643760993 /nfs/dbraw/zinc/76/09/93/643760993.db2.gz JGDMXMVWVUYTGQ-ZIAGYGMSSA-N 2 1 279.453 2.316 20 0 CEADMP Cn1cnc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CC[NH+]4C)C3)ccc21 ZINC000877740642 650884527 /nfs/dbraw/zinc/88/45/27/650884527.db2.gz KUYSLFWIFLTJSM-GOEBONIOSA-N 2 1 284.407 2.099 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CC[C@@H]4[C@@H](CC[NH+]4C)C3)ccc21 ZINC000877740642 650884530 /nfs/dbraw/zinc/88/45/30/650884530.db2.gz KUYSLFWIFLTJSM-GOEBONIOSA-N 2 1 284.407 2.099 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)ccc21 ZINC000877740642 650884537 /nfs/dbraw/zinc/88/45/37/650884537.db2.gz KUYSLFWIFLTJSM-GOEBONIOSA-N 2 1 284.407 2.099 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)ccc21 ZINC000877740642 650884541 /nfs/dbraw/zinc/88/45/41/650884541.db2.gz KUYSLFWIFLTJSM-GOEBONIOSA-N 2 1 284.407 2.099 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000838903788 644063044 /nfs/dbraw/zinc/06/30/44/644063044.db2.gz BZCOJZTXCGHRCE-KBPBESRZSA-N 2 1 282.428 2.182 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000838897610 644074189 /nfs/dbraw/zinc/07/41/89/644074189.db2.gz HWWAXGPUZVAARS-ZDUSSCGKSA-N 2 1 282.428 2.040 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000838938271 644093954 /nfs/dbraw/zinc/09/39/54/644093954.db2.gz ASKZBVGUNUQSOQ-FJIDUMEYSA-N 2 1 286.419 2.243 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000838938271 644093960 /nfs/dbraw/zinc/09/39/60/644093960.db2.gz ASKZBVGUNUQSOQ-FJIDUMEYSA-N 2 1 286.419 2.243 20 0 CEADMP Cc1cc([C@](C)(O)C[NH2+]C2CC[NH+](C3CC3)CC2)c(C)o1 ZINC000838963715 644097814 /nfs/dbraw/zinc/09/78/14/644097814.db2.gz XWFJHOCWVRVYEF-QGZVFWFLSA-N 2 1 292.423 2.320 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1COC2(CCCCC2)O1 ZINC000838985030 644110825 /nfs/dbraw/zinc/11/08/25/644110825.db2.gz BJDVAEMYVAQYFU-INIZCTEOSA-N 2 1 294.439 2.279 20 0 CEADMP OCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000839073131 644138690 /nfs/dbraw/zinc/13/86/90/644138690.db2.gz SHBXLWRAQFBEAW-QGZVFWFLSA-N 2 1 288.435 2.197 20 0 CEADMP CC(C)C[N@H+](Cc1cocn1)CC1CC[NH+](C)CC1 ZINC000877767829 650903505 /nfs/dbraw/zinc/90/35/05/650903505.db2.gz WVNBTVCPDWQFQQ-UHFFFAOYSA-N 2 1 265.401 2.474 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCSC(F)(F)F ZINC000886839251 644267728 /nfs/dbraw/zinc/26/77/28/644267728.db2.gz AAXMTIYILFMTCZ-VGMNWLOBSA-N 2 1 256.337 2.216 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2C[C@H]2C)cn1 ZINC000754131302 644328881 /nfs/dbraw/zinc/32/88/81/644328881.db2.gz VHZIRMBTHMWBNH-BXUZGUMPSA-N 2 1 256.353 2.321 20 0 CEADMP C[C@@H](NCC[NH+]1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754465123 644376025 /nfs/dbraw/zinc/37/60/25/644376025.db2.gz SCSICXDKETZFFP-HZPDHXFCSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]([NH2+]CCN1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754465123 644376036 /nfs/dbraw/zinc/37/60/36/644376036.db2.gz SCSICXDKETZFFP-HZPDHXFCSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]([NH2+]CCN1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754465123 644376042 /nfs/dbraw/zinc/37/60/42/644376042.db2.gz SCSICXDKETZFFP-HZPDHXFCSA-N 2 1 279.472 2.325 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CCO1 ZINC000857226358 644859424 /nfs/dbraw/zinc/85/94/24/644859424.db2.gz LLYVNCVWLZTPJX-LXTVHRRPSA-N 2 1 252.402 2.005 20 0 CEADMP Cc1conc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000877989201 650968363 /nfs/dbraw/zinc/96/83/63/650968363.db2.gz QZCXAKRUSYFQKJ-UHFFFAOYSA-N 2 1 251.374 2.147 20 0 CEADMP CCCCCC[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000759340278 645014702 /nfs/dbraw/zinc/01/47/02/645014702.db2.gz XTGMRVXICROGBA-HNNXBMFYSA-N 2 1 256.434 2.344 20 0 CEADMP CC(C)C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C1CCCC1 ZINC000878010487 650974125 /nfs/dbraw/zinc/97/41/25/650974125.db2.gz NNABIMWNNDVNJT-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP COc1ccccc1[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858105267 645062548 /nfs/dbraw/zinc/06/25/48/645062548.db2.gz LAGQEQXRVAERFD-DZGCQCFKSA-N 2 1 292.423 2.191 20 0 CEADMP COc1cccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000858133767 645070283 /nfs/dbraw/zinc/07/02/83/645070283.db2.gz XGOIJZGSCAKHHA-GOEBONIOSA-N 2 1 292.423 2.191 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2cccs2)CC1(C)C ZINC000858142916 645072724 /nfs/dbraw/zinc/07/27/24/645072724.db2.gz QYCLBQIZCDLMMP-SWLSCSKDSA-N 2 1 282.453 2.418 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)CC1(C)C ZINC000858193742 645084832 /nfs/dbraw/zinc/08/48/32/645084832.db2.gz IZRDPUXERRPZJU-BZPMIXESSA-N 2 1 288.382 2.263 20 0 CEADMP C[C@@H](O)c1ncc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)s1 ZINC000858245395 645097405 /nfs/dbraw/zinc/09/74/05/645097405.db2.gz GKZBCWAMKBWZHT-VXGBXAGGSA-N 2 1 283.441 2.018 20 0 CEADMP C[C@@H](O)c1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000858245395 645097412 /nfs/dbraw/zinc/09/74/12/645097412.db2.gz GKZBCWAMKBWZHT-VXGBXAGGSA-N 2 1 283.441 2.018 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)n(C)n1 ZINC000858490858 645179599 /nfs/dbraw/zinc/17/95/99/645179599.db2.gz QUOARTLVXATWNI-ZIAGYGMSSA-N 2 1 264.417 2.111 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)n(C)n1 ZINC000858490858 645179602 /nfs/dbraw/zinc/17/96/02/645179602.db2.gz QUOARTLVXATWNI-ZIAGYGMSSA-N 2 1 264.417 2.111 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000878166896 651021960 /nfs/dbraw/zinc/02/19/60/651021960.db2.gz JCHCVJIPNGJOBY-CABCVRRESA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000878166896 651021961 /nfs/dbraw/zinc/02/19/61/651021961.db2.gz JCHCVJIPNGJOBY-CABCVRRESA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000878166896 651021964 /nfs/dbraw/zinc/02/19/64/651021964.db2.gz JCHCVJIPNGJOBY-CABCVRRESA-N 2 1 268.445 2.465 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878201254 651035258 /nfs/dbraw/zinc/03/52/58/651035258.db2.gz ZVTPLZSHIGLQIM-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1(C)CC1 ZINC000765975824 645830047 /nfs/dbraw/zinc/83/00/47/645830047.db2.gz LDDBNZRPCCTMRO-ZFWWWQNUSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1cc([C@](C)(O)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)o1 ZINC000766153757 645853110 /nfs/dbraw/zinc/85/31/10/645853110.db2.gz YHCJUTZVAMAKPK-HZUKXOBISA-N 2 1 280.412 2.176 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878287754 651054649 /nfs/dbraw/zinc/05/46/49/651054649.db2.gz INMHECQCQDKXAN-OWCLPIDISA-N 2 1 277.412 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878287754 651054651 /nfs/dbraw/zinc/05/46/51/651054651.db2.gz INMHECQCQDKXAN-OWCLPIDISA-N 2 1 277.412 2.471 20 0 CEADMP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000767408736 645987075 /nfs/dbraw/zinc/98/70/75/645987075.db2.gz DIVVLXXFQDBIIG-CQSZACIVSA-N 2 1 264.413 2.163 20 0 CEADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000767408736 645987078 /nfs/dbraw/zinc/98/70/78/645987078.db2.gz DIVVLXXFQDBIIG-CQSZACIVSA-N 2 1 264.413 2.163 20 0 CEADMP COC[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768911552 646180522 /nfs/dbraw/zinc/18/05/22/646180522.db2.gz ATFQHKAOOGVERY-CYBMUJFWSA-N 2 1 250.386 2.215 20 0 CEADMP Cc1c(CN(C)C[C@H]2CCC[N@@H+](C)C2)ccnc1F ZINC000862224285 646368868 /nfs/dbraw/zinc/36/88/68/646368868.db2.gz OZESKVIGUIFZMC-ZDUSSCGKSA-N 2 1 265.376 2.303 20 0 CEADMP CC[C@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000119332967 646675287 /nfs/dbraw/zinc/67/52/87/646675287.db2.gz MWSHAKMPDDDLBI-HNNXBMFYSA-N 2 1 293.455 2.010 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000863543817 646752111 /nfs/dbraw/zinc/75/21/11/646752111.db2.gz ZROXIQCWQTUQAS-QWQWKMKNSA-N 2 1 272.483 2.096 20 0 CEADMP Cc1cccc(C)c1OCCC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863568969 646759286 /nfs/dbraw/zinc/75/92/86/646759286.db2.gz OFHXDBNNFZIYEJ-CQSZACIVSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1cccc(C)c1OCCC[N@H+](C)C[C@@H](C)[NH3+] ZINC000863568969 646759289 /nfs/dbraw/zinc/75/92/89/646759289.db2.gz OFHXDBNNFZIYEJ-CQSZACIVSA-N 2 1 250.386 2.351 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000775389407 646948989 /nfs/dbraw/zinc/94/89/89/646948989.db2.gz YFZNJCYPEVXFAD-YIYPIFLZSA-N 2 1 286.510 2.297 20 0 CEADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000864453476 647009319 /nfs/dbraw/zinc/00/93/19/647009319.db2.gz WTNIIICWFXRZOK-MGPQQGTHSA-N 2 1 266.433 2.021 20 0 CEADMP CC[C@@H]1CCN(C(=[NH2+])NCCCC[N@@H+](C)C2CC2)C1 ZINC000864467139 647021517 /nfs/dbraw/zinc/02/15/17/647021517.db2.gz SZPBRDDVSROQTB-CYBMUJFWSA-N 2 1 266.433 2.117 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000779340645 647314415 /nfs/dbraw/zinc/31/44/15/647314415.db2.gz JQTHPEYXCHMVMF-WBVHZDCISA-N 2 1 276.424 2.259 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)CCCC2 ZINC000865483271 647318791 /nfs/dbraw/zinc/31/87/91/647318791.db2.gz HGANNMWLWWAWSY-UONOGXRCSA-N 2 1 290.455 2.261 20 0 CEADMP C[C@H](C[NH2+]Cc1cnc(Cl)c(F)c1)C[NH+](C)C ZINC000865577664 647368976 /nfs/dbraw/zinc/36/89/76/647368976.db2.gz NJFQNVQJHYLWMN-SECBINFHSA-N 2 1 259.756 2.161 20 0 CEADMP CCOc1cc(F)cc(C[NH2+]CCc2c[nH+]cn2C)c1 ZINC000865637594 647400362 /nfs/dbraw/zinc/40/03/62/647400362.db2.gz CBWLQXGCPRTEKP-UHFFFAOYSA-N 2 1 277.343 2.290 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@H]1CCSC1 ZINC000865652138 647407621 /nfs/dbraw/zinc/40/76/21/647407621.db2.gz QJDDTCNPSKUJCB-LBPRGKRZSA-N 2 1 265.426 2.380 20 0 CEADMP Cn1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccnc21 ZINC000865812825 647474875 /nfs/dbraw/zinc/47/48/75/647474875.db2.gz VQHGNWPXVRZOLK-JKSUJKDBSA-N 2 1 298.434 2.332 20 0 CEADMP COCCN(CC1CC[NH+](C)CC1)c1cccc(C)[nH+]1 ZINC000865997278 647566592 /nfs/dbraw/zinc/56/65/92/647566592.db2.gz ZXNSKQDCRADUFH-UHFFFAOYSA-N 2 1 277.412 2.185 20 0 CEADMP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]cc3Cl)CC[C@H]21 ZINC000866207171 647671264 /nfs/dbraw/zinc/67/12/64/647671264.db2.gz VPASLSCRYPWHAI-ZYHUDNBSSA-N 2 1 251.761 2.265 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]cc3Cl)CC[C@H]21 ZINC000866207171 647671266 /nfs/dbraw/zinc/67/12/66/647671266.db2.gz VPASLSCRYPWHAI-ZYHUDNBSSA-N 2 1 251.761 2.265 20 0 CEADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000783247698 647701052 /nfs/dbraw/zinc/70/10/52/647701052.db2.gz IYNXSUSWDUVGMI-XHDPSFHLSA-N 2 1 274.412 2.450 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC[N@H+]1C ZINC000866538307 647819163 /nfs/dbraw/zinc/81/91/63/647819163.db2.gz QOPCLQWYBUDWRD-BVUBDWEXSA-N 2 1 266.429 2.121 20 0 CEADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000866659886 647858233 /nfs/dbraw/zinc/85/82/33/647858233.db2.gz WOYULYIQIPLSHZ-GOEBONIOSA-N 2 1 289.423 2.017 20 0 CEADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000866659886 647858239 /nfs/dbraw/zinc/85/82/39/647858239.db2.gz WOYULYIQIPLSHZ-GOEBONIOSA-N 2 1 289.423 2.017 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)CC(C)(C)C ZINC000866665570 647861693 /nfs/dbraw/zinc/86/16/93/647861693.db2.gz FIRPKRMOIHYUTB-DZGCQCFKSA-N 2 1 293.459 2.446 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000866672643 647863856 /nfs/dbraw/zinc/86/38/56/647863856.db2.gz PULNBPAHPQMWLR-IIAWOOMASA-N 2 1 289.423 2.239 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000866672643 647863861 /nfs/dbraw/zinc/86/38/61/647863861.db2.gz PULNBPAHPQMWLR-IIAWOOMASA-N 2 1 289.423 2.239 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784574772 647864443 /nfs/dbraw/zinc/86/44/43/647864443.db2.gz JNWMHPVUUBGWKN-HOTGVXAUSA-N 2 1 296.455 2.336 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784574772 647864445 /nfs/dbraw/zinc/86/44/45/647864445.db2.gz JNWMHPVUUBGWKN-HOTGVXAUSA-N 2 1 296.455 2.336 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784574772 647864448 /nfs/dbraw/zinc/86/44/48/647864448.db2.gz JNWMHPVUUBGWKN-HOTGVXAUSA-N 2 1 296.455 2.336 20 0 CEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866697103 647872560 /nfs/dbraw/zinc/87/25/60/647872560.db2.gz FTUPLSWTTVZHHU-ZFWWWQNUSA-N 2 1 252.402 2.020 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1Cc1ccc2c(c1)COC2 ZINC000866696905 647872667 /nfs/dbraw/zinc/87/26/67/647872667.db2.gz BIZJEZXUFPGHOS-UHFFFAOYSA-N 2 1 260.381 2.291 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000866696905 647872670 /nfs/dbraw/zinc/87/26/70/647872670.db2.gz BIZJEZXUFPGHOS-UHFFFAOYSA-N 2 1 260.381 2.291 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1CCOc1cccc(F)c1 ZINC000866698709 647873130 /nfs/dbraw/zinc/87/31/30/647873130.db2.gz BRJZNPUDNQPDBA-UHFFFAOYSA-N 2 1 266.360 2.278 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1CCOc1cccc(F)c1 ZINC000866698709 647873135 /nfs/dbraw/zinc/87/31/35/647873135.db2.gz BRJZNPUDNQPDBA-UHFFFAOYSA-N 2 1 266.360 2.278 20 0 CEADMP COc1ccccc1[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000866703969 647875498 /nfs/dbraw/zinc/87/54/98/647875498.db2.gz QRJJHJYQTQNEGC-WMLDXEAASA-N 2 1 290.407 2.068 20 0 CEADMP CCCCCCNC(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703236 647875650 /nfs/dbraw/zinc/87/56/50/647875650.db2.gz HBHBHEFBXMNPFH-QGZVFWFLSA-N 2 1 297.487 2.380 20 0 CEADMP CCCCCCNC(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703236 647875653 /nfs/dbraw/zinc/87/56/53/647875653.db2.gz HBHBHEFBXMNPFH-QGZVFWFLSA-N 2 1 297.487 2.380 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)on1 ZINC000866707104 647878423 /nfs/dbraw/zinc/87/84/23/647878423.db2.gz MAUYTGJVECXMHA-AWEZNQCLSA-N 2 1 251.374 2.180 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)on1 ZINC000866707104 647878425 /nfs/dbraw/zinc/87/84/25/647878425.db2.gz MAUYTGJVECXMHA-AWEZNQCLSA-N 2 1 251.374 2.180 20 0 CEADMP COc1ccc([C@H]2COCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000866718788 647881368 /nfs/dbraw/zinc/88/13/68/647881368.db2.gz NSQLLOCHEFNAAN-WMLDXEAASA-N 2 1 290.407 2.068 20 0 CEADMP CN1CC[N@@H+](CC2CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC000788485425 648193845 /nfs/dbraw/zinc/19/38/45/648193845.db2.gz KPEKPLBVOKYMTA-GOSISDBHSA-N 2 1 287.451 2.317 20 0 CEADMP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000792220229 648627097 /nfs/dbraw/zinc/62/70/97/648627097.db2.gz AFTFMIKVPIJCBC-AWEZNQCLSA-N 2 1 284.444 2.380 20 0 CEADMP [NH3+][C@H]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000870955586 648961235 /nfs/dbraw/zinc/96/12/35/648961235.db2.gz WSUIREFBDGNRSX-RBSFLKMASA-N 2 1 293.455 2.027 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000123490055 649010545 /nfs/dbraw/zinc/01/05/45/649010545.db2.gz SSGIHGPIBPCFQZ-KFNAQCHYSA-N 2 1 298.377 2.413 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000123490055 649010549 /nfs/dbraw/zinc/01/05/49/649010549.db2.gz SSGIHGPIBPCFQZ-KFNAQCHYSA-N 2 1 298.377 2.413 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc(F)c(F)c2)CC[NH+]1C ZINC000123490055 649010553 /nfs/dbraw/zinc/01/05/53/649010553.db2.gz SSGIHGPIBPCFQZ-KFNAQCHYSA-N 2 1 298.377 2.413 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccc(F)c(F)c2)CC[NH+]1C ZINC000123490055 649010559 /nfs/dbraw/zinc/01/05/59/649010559.db2.gz SSGIHGPIBPCFQZ-KFNAQCHYSA-N 2 1 298.377 2.413 20 0 CEADMP C[C@@H]1C[C@H](N(C)C[C@H](O)c2c(F)cccc2F)CC[N@H+]1C ZINC000123638397 649082866 /nfs/dbraw/zinc/08/28/66/649082866.db2.gz OMWPVYGBVBHTTN-JMSVASOKSA-N 2 1 298.377 2.413 20 0 CEADMP CC[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@@H]1CCCOC1 ZINC000872025997 649245359 /nfs/dbraw/zinc/24/53/59/649245359.db2.gz XOEZMPCNHXQLDW-QLFBSQMISA-N 2 1 254.418 2.121 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C(C)(C)CC ZINC000872035227 649248685 /nfs/dbraw/zinc/24/86/85/649248685.db2.gz ULVVPEUFNFLZKF-LSDHHAIUSA-N 2 1 297.487 2.378 20 0 CEADMP CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000872128429 649287115 /nfs/dbraw/zinc/28/71/15/649287115.db2.gz PYUGDEBXHSVPTK-TUVASFSCSA-N 2 1 294.439 2.323 20 0 CEADMP CC1(C)CCc2onc(C[NH+]3CCC(C[NH3+])CC3)c2C1 ZINC000872142085 649291347 /nfs/dbraw/zinc/29/13/47/649291347.db2.gz JZRYUVUQGGIGIA-UHFFFAOYSA-N 2 1 277.412 2.360 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000872143202 649291991 /nfs/dbraw/zinc/29/19/91/649291991.db2.gz ITIPJMKKCBSGFP-GFCCVEGCSA-N 2 1 263.385 2.114 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000872143348 649292740 /nfs/dbraw/zinc/29/27/40/649292740.db2.gz PCRMHLVYZYSCHQ-WCVJEAGWSA-N 2 1 264.413 2.020 20 0 CEADMP C([C@@H]1CC2(CCC2)CO1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000872143573 649293283 /nfs/dbraw/zinc/29/32/83/649293283.db2.gz SWOVFEQPCNMBKD-HOCLYGCPSA-N 2 1 264.413 2.021 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC3(CCC3)CO2)CC[C@H]1[NH3+] ZINC000872144219 649294858 /nfs/dbraw/zinc/29/48/58/649294858.db2.gz YGHADFSTZFZGJS-HZSPNIEDSA-N 2 1 252.402 2.005 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)C1CCCCC1 ZINC000872145030 649295573 /nfs/dbraw/zinc/29/55/73/649295573.db2.gz MSAFKGDFTARFBC-CVEARBPZSA-N 2 1 296.455 2.069 20 0 CEADMP CC(C)c1cc([C@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)[nH]n1 ZINC000872146262 649296701 /nfs/dbraw/zinc/29/67/01/649296701.db2.gz JAXKGJJEALZNCI-KBPBESRZSA-N 2 1 276.428 2.322 20 0 CEADMP CC(C)c1cc([C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000872146262 649296704 /nfs/dbraw/zinc/29/67/04/649296704.db2.gz JAXKGJJEALZNCI-KBPBESRZSA-N 2 1 276.428 2.322 20 0 CEADMP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)CCCCCC[NH3+] ZINC000872154861 649298226 /nfs/dbraw/zinc/29/82/26/649298226.db2.gz CNZIPAWQZRMIER-BZUAXINKSA-N 2 1 297.487 2.330 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CC(=O)Nc1ccc(F)c(F)c1 ZINC000872155255 649298589 /nfs/dbraw/zinc/29/85/89/649298589.db2.gz PFGRAYDRYPXYND-UHFFFAOYSA-N 2 1 299.365 2.354 20 0 CEADMP CN1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000872157011 649299547 /nfs/dbraw/zinc/29/95/47/649299547.db2.gz GUPSXJWCYOHDFJ-MSOLQXFVSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1cccc2c1CC[NH2+]C2 ZINC000872157011 649299551 /nfs/dbraw/zinc/29/95/51/649299551.db2.gz GUPSXJWCYOHDFJ-MSOLQXFVSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2Cc1cccc2c1CC[NH2+]C2 ZINC000872157011 649299558 /nfs/dbraw/zinc/29/95/58/649299558.db2.gz GUPSXJWCYOHDFJ-MSOLQXFVSA-N 3 1 285.435 2.001 20 0 CEADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@@H]1CCCC[C@@H]1O ZINC000873207073 649589087 /nfs/dbraw/zinc/58/90/87/649589087.db2.gz PTJZZPLALSTQAJ-WFASDCNBSA-N 2 1 294.464 2.377 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)CC[NH2+]1 ZINC000873222866 649597216 /nfs/dbraw/zinc/59/72/16/649597216.db2.gz DEXOYLKWCPBIIY-IIAWOOMASA-N 3 1 267.461 2.071 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@](CN)(C(C)(C)C)C2)CC[NH2+]1 ZINC000873222866 649597221 /nfs/dbraw/zinc/59/72/21/649597221.db2.gz DEXOYLKWCPBIIY-IIAWOOMASA-N 2 1 267.461 2.071 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@](CN)(C(C)(C)C)C2)CC[NH2+]1 ZINC000873222866 649597225 /nfs/dbraw/zinc/59/72/25/649597225.db2.gz DEXOYLKWCPBIIY-IIAWOOMASA-N 2 1 267.461 2.071 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc3c2NCC3)C[C@H]1C(F)(F)F ZINC000873227591 649599611 /nfs/dbraw/zinc/59/96/11/649599611.db2.gz JIOCAAHPQWRJPQ-QWHCGFSZSA-N 2 1 299.340 2.224 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3c2NCC3)C[C@H]1C(F)(F)F ZINC000873227591 649599616 /nfs/dbraw/zinc/59/96/16/649599616.db2.gz JIOCAAHPQWRJPQ-QWHCGFSZSA-N 2 1 299.340 2.224 20 0 CEADMP CC(C)[NH+]1CCC(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000873243364 649606879 /nfs/dbraw/zinc/60/68/79/649606879.db2.gz XHLBNPXHZRFDNU-HOCLYGCPSA-N 3 1 267.461 2.085 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873259211 649614157 /nfs/dbraw/zinc/61/41/57/649614157.db2.gz ZWTRDPLNUNLCQI-DKIMLUQUSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873259211 649614161 /nfs/dbraw/zinc/61/41/61/649614161.db2.gz ZWTRDPLNUNLCQI-DKIMLUQUSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262016 649616125 /nfs/dbraw/zinc/61/61/25/649616125.db2.gz VGOJEHHAOHDYMD-SOVHRIKKSA-N 2 1 287.451 2.065 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000873263756 649616556 /nfs/dbraw/zinc/61/65/56/649616556.db2.gz ZJDFOOVRBAJANZ-ZWNOBZJWSA-N 2 1 298.228 2.322 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)[C@@H]1CCCC[NH2+]1 ZINC000873281665 649624123 /nfs/dbraw/zinc/62/41/23/649624123.db2.gz OIXKICCCDWHROZ-AIEDFZFUSA-N 2 1 252.402 2.064 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(N)cc(F)c2)[C@@H](C)C1 ZINC000873287431 649627684 /nfs/dbraw/zinc/62/76/84/649627684.db2.gz DYWBVILLYAVQDU-XHDPSFHLSA-N 2 1 265.376 2.228 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(N)cc(F)c2)[C@@H](C)C1 ZINC000873287431 649627687 /nfs/dbraw/zinc/62/76/87/649627687.db2.gz DYWBVILLYAVQDU-XHDPSFHLSA-N 2 1 265.376 2.228 20 0 CEADMP Nc1cc(F)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000873289445 649628486 /nfs/dbraw/zinc/62/84/86/649628486.db2.gz UZTFESDEMRFDOY-HUUCEWRRSA-N 2 1 263.360 2.124 20 0 CEADMP Nc1cc(F)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000873289445 649628488 /nfs/dbraw/zinc/62/84/88/649628488.db2.gz UZTFESDEMRFDOY-HUUCEWRRSA-N 2 1 263.360 2.124 20 0 CEADMP C[C@H]1C[N@@H+](CCCC2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878324283 651067935 /nfs/dbraw/zinc/06/79/35/651067935.db2.gz KGPFIGJZAMXXRG-RDJZCZTQSA-N 2 1 279.472 2.134 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000878511021 651117028 /nfs/dbraw/zinc/11/70/28/651117028.db2.gz HBEZGWHOLMWJHR-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878865993 651200441 /nfs/dbraw/zinc/20/04/41/651200441.db2.gz PBBRKMORVBGOHJ-KBPBESRZSA-N 2 1 290.398 2.200 20 0 CEADMP Cc1ncsc1CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573054 651324713 /nfs/dbraw/zinc/32/47/13/651324713.db2.gz LKFHQUCVMAVLLM-CHWSQXEVSA-N 2 1 265.426 2.020 20 0 CEADMP Cc1ncsc1CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573054 651324714 /nfs/dbraw/zinc/32/47/14/651324714.db2.gz LKFHQUCVMAVLLM-CHWSQXEVSA-N 2 1 265.426 2.020 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573054 651324716 /nfs/dbraw/zinc/32/47/16/651324716.db2.gz LKFHQUCVMAVLLM-CHWSQXEVSA-N 2 1 265.426 2.020 20 0 CEADMP Cc1ncsc1CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573054 651324717 /nfs/dbraw/zinc/32/47/17/651324717.db2.gz LKFHQUCVMAVLLM-CHWSQXEVSA-N 2 1 265.426 2.020 20 0 CEADMP Cc1ccc([C@H](O)C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000879574277 651324880 /nfs/dbraw/zinc/32/48/80/651324880.db2.gz YXWQHJGBDDFTPH-IXDOHACOSA-N 2 1 274.408 2.054 20 0 CEADMP Cc1ccc([C@H](O)C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000879574277 651324882 /nfs/dbraw/zinc/32/48/82/651324882.db2.gz YXWQHJGBDDFTPH-IXDOHACOSA-N 2 1 274.408 2.054 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879574277 651324884 /nfs/dbraw/zinc/32/48/84/651324884.db2.gz YXWQHJGBDDFTPH-IXDOHACOSA-N 2 1 274.408 2.054 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879574277 651324885 /nfs/dbraw/zinc/32/48/85/651324885.db2.gz YXWQHJGBDDFTPH-IXDOHACOSA-N 2 1 274.408 2.054 20 0 CEADMP CCOC(=O)CCCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573031 651324947 /nfs/dbraw/zinc/32/49/47/651324947.db2.gz LALNWWCXJXDUOV-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573031 651324948 /nfs/dbraw/zinc/32/49/48/651324948.db2.gz LALNWWCXJXDUOV-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573031 651324949 /nfs/dbraw/zinc/32/49/49/651324949.db2.gz LALNWWCXJXDUOV-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573031 651324950 /nfs/dbraw/zinc/32/49/50/651324950.db2.gz LALNWWCXJXDUOV-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879963488 651368275 /nfs/dbraw/zinc/36/82/75/651368275.db2.gz KOBYOVVWQLSDOW-HNNXBMFYSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879963488 651368276 /nfs/dbraw/zinc/36/82/76/651368276.db2.gz KOBYOVVWQLSDOW-HNNXBMFYSA-N 2 1 279.428 2.455 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2c(F)cccc2F)CC[N@@H+]1C ZINC000128136288 651375271 /nfs/dbraw/zinc/37/52/71/651375271.db2.gz BGCSLASOIKKDKM-GYSYKLTISA-N 2 1 284.350 2.071 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2c(F)cccc2F)CC[N@H+]1C ZINC000128136288 651375273 /nfs/dbraw/zinc/37/52/73/651375273.db2.gz BGCSLASOIKKDKM-GYSYKLTISA-N 2 1 284.350 2.071 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2c(F)cccc2F)CC[N@@H+]1C ZINC000128136723 651375320 /nfs/dbraw/zinc/37/53/20/651375320.db2.gz BGCSLASOIKKDKM-SUNKGSAMSA-N 2 1 284.350 2.071 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2c(F)cccc2F)CC[N@H+]1C ZINC000128136723 651375321 /nfs/dbraw/zinc/37/53/21/651375321.db2.gz BGCSLASOIKKDKM-SUNKGSAMSA-N 2 1 284.350 2.071 20 0 CEADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2CCC[NH+]1CCCCC1 ZINC000880136183 651389650 /nfs/dbraw/zinc/38/96/50/651389650.db2.gz HJNZLJGYUHZNEC-HZPDHXFCSA-N 2 1 265.445 2.031 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880143143 651391147 /nfs/dbraw/zinc/39/11/47/651391147.db2.gz YJNJRWUIBGCMFD-IKGGRYGDSA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880143143 651391148 /nfs/dbraw/zinc/39/11/48/651391148.db2.gz YJNJRWUIBGCMFD-IKGGRYGDSA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880143143 651391150 /nfs/dbraw/zinc/39/11/50/651391150.db2.gz YJNJRWUIBGCMFD-IKGGRYGDSA-N 2 1 279.472 2.418 20 0 CEADMP C(C1CCCC1)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880205952 651401100 /nfs/dbraw/zinc/40/11/00/651401100.db2.gz WQZIJRDNNRMZIM-MRXNPFEDSA-N 2 1 266.429 2.410 20 0 CEADMP C(C1CCCC1)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880205952 651401101 /nfs/dbraw/zinc/40/11/01/651401101.db2.gz WQZIJRDNNRMZIM-MRXNPFEDSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)O1 ZINC000880260212 651412280 /nfs/dbraw/zinc/41/22/80/651412280.db2.gz NZWXFCWTBRHNNV-SQWLQELKSA-N 2 1 275.396 2.160 20 0 CEADMP C[C@H]1C[N@@H+](CC[C@H]2CCCO2)CCN1c1cc[nH+]cc1 ZINC000880261870 651412755 /nfs/dbraw/zinc/41/27/55/651412755.db2.gz ZCYDQEJIQKRCNQ-GOEBONIOSA-N 2 1 275.396 2.161 20 0 CEADMP FC[C@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](CF)C2)C1 ZINC000880298214 651418768 /nfs/dbraw/zinc/41/87/68/651418768.db2.gz ZZNWYXAFOURRJI-ZIAGYGMSSA-N 2 1 260.372 2.349 20 0 CEADMP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000880472149 651446825 /nfs/dbraw/zinc/44/68/25/651446825.db2.gz FINJXAOIQYQVQP-MRXNPFEDSA-N 2 1 274.408 2.280 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc3c2CCOC3)C1 ZINC000882899763 652259315 /nfs/dbraw/zinc/25/93/15/652259315.db2.gz VWRGPXACDLAEGE-CQSZACIVSA-N 2 1 274.408 2.191 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CCC2(CCOCC2)CO1 ZINC000883418457 652462709 /nfs/dbraw/zinc/46/27/09/652462709.db2.gz IYKXZTTXMDKCLM-CVEARBPZSA-N 2 1 298.471 2.267 20 0 CEADMP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)nc1Cl ZINC000883440877 652471265 /nfs/dbraw/zinc/47/12/65/652471265.db2.gz BSXDCGYUUSLNPM-QWRGUYRKSA-N 2 1 253.777 2.259 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883441038 652471394 /nfs/dbraw/zinc/47/13/94/652471394.db2.gz GFVKYCKYNASCFO-INIZCTEOSA-N 2 1 298.471 2.413 20 0 CEADMP Cc1ccc2c(C[NH2+][C@@H]3C[C@H]([NH3+])C3(C)C)cc(=O)oc2c1 ZINC000883442448 652471460 /nfs/dbraw/zinc/47/14/60/652471460.db2.gz LNRXDNAEXGWLRZ-LSDHHAIUSA-N 2 1 286.375 2.317 20 0 CEADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000884179784 652744501 /nfs/dbraw/zinc/74/45/01/652744501.db2.gz ANTUHRQALTYUNS-LSDHHAIUSA-N 2 1 297.487 2.377 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])CC3CC3)c2C1 ZINC000884207488 652752205 /nfs/dbraw/zinc/75/22/05/652752205.db2.gz XFAANJIVJBVENR-OAHLLOKOSA-N 2 1 287.407 2.478 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])CC3CC3)c2C1 ZINC000884207488 652752208 /nfs/dbraw/zinc/75/22/08/652752208.db2.gz XFAANJIVJBVENR-OAHLLOKOSA-N 2 1 287.407 2.478 20 0 CEADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884322385 652794628 /nfs/dbraw/zinc/79/46/28/652794628.db2.gz LUHCOLQCVJQEJS-CQSZACIVSA-N 2 1 294.443 2.050 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000885919195 653068586 /nfs/dbraw/zinc/06/85/86/653068586.db2.gz KLMVVATYDQFJMB-HUUCEWRRSA-N 2 1 284.444 2.035 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)nc1 ZINC001164441179 718987115 /nfs/dbraw/zinc/98/71/15/718987115.db2.gz XCQRATAHRMJWFL-DLTWYDFYSA-N 2 1 286.423 2.022 20 0 CEADMP Cc1[nH+]c(N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc2[nH]ccc21 ZINC001164637673 719227779 /nfs/dbraw/zinc/22/77/79/719227779.db2.gz MGZGXKLUGGEVBL-QWRGUYRKSA-N 2 1 258.369 2.400 20 0 CEADMP CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001038443936 805702100 /nfs/dbraw/zinc/70/21/00/805702100.db2.gz KAIYAXFWIZOMMR-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001038443936 805702102 /nfs/dbraw/zinc/70/21/02/805702102.db2.gz KAIYAXFWIZOMMR-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001038443936 805702105 /nfs/dbraw/zinc/70/21/05/805702105.db2.gz KAIYAXFWIZOMMR-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC ZINC001087572550 805753283 /nfs/dbraw/zinc/75/32/83/805753283.db2.gz WICUIPDCWZEONW-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039854 805865950 /nfs/dbraw/zinc/86/59/50/805865950.db2.gz IBEIKNYGSAZJRD-CYGHRXIMSA-N 2 1 288.435 2.495 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039854 805865959 /nfs/dbraw/zinc/86/59/59/805865959.db2.gz IBEIKNYGSAZJRD-CYGHRXIMSA-N 2 1 288.435 2.495 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039854 805865968 /nfs/dbraw/zinc/86/59/68/805865968.db2.gz IBEIKNYGSAZJRD-CYGHRXIMSA-N 2 1 288.435 2.495 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001168084702 806099441 /nfs/dbraw/zinc/09/94/41/806099441.db2.gz UOPKQQQVZOVUEJ-ZQNQSHIBSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001168084702 806099449 /nfs/dbraw/zinc/09/94/49/806099449.db2.gz UOPKQQQVZOVUEJ-ZQNQSHIBSA-N 2 1 252.402 2.159 20 0 CEADMP CCCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001227986234 806102410 /nfs/dbraw/zinc/10/24/10/806102410.db2.gz BKTYAASERZSWHQ-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[N@@H+](C)CCC(=O)N1CCC2(C[NH+](C)C2)CC1 ZINC001271862809 806122319 /nfs/dbraw/zinc/12/23/19/806122319.db2.gz BBCMDTHYXZYVRR-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CCO1 ZINC001168093697 806150103 /nfs/dbraw/zinc/15/01/03/806150103.db2.gz WYQGBFGUMISRJX-ZIAGYGMSSA-N 3 1 285.476 2.029 20 0 CEADMP CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001088381507 806173246 /nfs/dbraw/zinc/17/32/46/806173246.db2.gz GEIGJDDSOWUYMM-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168130998 806255488 /nfs/dbraw/zinc/25/54/88/806255488.db2.gz KIYZBTUCTHTQTI-UAGQMJEPSA-N 2 1 296.455 2.129 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088563333 806419934 /nfs/dbraw/zinc/41/99/34/806419934.db2.gz MUMVAYUVGOOAKO-OWCLPIDISA-N 2 1 295.471 2.238 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088563333 806419939 /nfs/dbraw/zinc/41/99/39/806419939.db2.gz MUMVAYUVGOOAKO-OWCLPIDISA-N 2 1 295.471 2.238 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088563333 806419943 /nfs/dbraw/zinc/41/99/43/806419943.db2.gz MUMVAYUVGOOAKO-OWCLPIDISA-N 2 1 295.471 2.238 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([N@@H+](CCC[NH3+])C(C)C)C2 ZINC001168230736 806425166 /nfs/dbraw/zinc/42/51/66/806425166.db2.gz MZMGNGVJPNBROY-HNNXBMFYSA-N 2 1 262.397 2.222 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001168247524 806440768 /nfs/dbraw/zinc/44/07/68/806440768.db2.gz JQDDHZFMTXHOGQ-INIZCTEOSA-N 2 1 286.419 2.379 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)[C@@H]1C ZINC001088605320 806504826 /nfs/dbraw/zinc/50/48/26/806504826.db2.gz PHCQWLNJMVBVGU-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(C)C)[C@@H]1C ZINC001088605320 806504829 /nfs/dbraw/zinc/50/48/29/806504829.db2.gz PHCQWLNJMVBVGU-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(C)C)[C@@H]1C ZINC001088605320 806504840 /nfs/dbraw/zinc/50/48/40/806504840.db2.gz PHCQWLNJMVBVGU-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP COCc1csc(C[NH2+]CC[C@@H](C)[NH+](C)C)c1 ZINC000697849242 806709861 /nfs/dbraw/zinc/70/98/61/806709861.db2.gz PUWWVGVRFACQIZ-LLVKDONJSA-N 2 1 256.415 2.324 20 0 CEADMP CC[N@@H+](CCCC(=O)OC)C1CC[NH+](CC2CC2)CC1 ZINC001168371879 806960016 /nfs/dbraw/zinc/96/00/16/806960016.db2.gz JTUGEDUCZDTIPF-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@@]1(O)CCC[N@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168373337 806972288 /nfs/dbraw/zinc/97/22/88/806972288.db2.gz OULWUGCLGXOMFA-MRXNPFEDSA-N 2 1 266.429 2.098 20 0 CEADMP FC1(F)C[C@@H]2C[N@H+](C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001168373416 806972753 /nfs/dbraw/zinc/97/27/53/806972753.db2.gz RJBBVBXMVQMKJP-OCCSQVGLSA-N 2 1 270.367 2.448 20 0 CEADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)CC1 ZINC001208603506 802390546 /nfs/dbraw/zinc/39/05/46/802390546.db2.gz CXADJMWMAUPWIB-HUUCEWRRSA-N 2 1 264.413 2.019 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665414 802505688 /nfs/dbraw/zinc/50/56/88/802505688.db2.gz BJUOZGKZEQNXJF-OQIJWPOYSA-N 3 1 299.462 2.191 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665414 802505692 /nfs/dbraw/zinc/50/56/92/802505692.db2.gz BJUOZGKZEQNXJF-OQIJWPOYSA-N 3 1 299.462 2.191 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665414 802505696 /nfs/dbraw/zinc/50/56/96/802505696.db2.gz BJUOZGKZEQNXJF-OQIJWPOYSA-N 3 1 299.462 2.191 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665414 802505701 /nfs/dbraw/zinc/50/57/01/802505701.db2.gz BJUOZGKZEQNXJF-OQIJWPOYSA-N 2 1 299.462 2.191 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665414 802505702 /nfs/dbraw/zinc/50/57/02/802505702.db2.gz BJUOZGKZEQNXJF-OQIJWPOYSA-N 2 1 299.462 2.191 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000693011113 802528712 /nfs/dbraw/zinc/52/87/12/802528712.db2.gz WAPJJNBRVUJUNX-HOCLYGCPSA-N 2 1 262.397 2.042 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000693186484 802722078 /nfs/dbraw/zinc/72/20/78/802722078.db2.gz ZGDKHEOPHSAILH-CQSZACIVSA-N 2 1 274.408 2.441 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000693186484 802722083 /nfs/dbraw/zinc/72/20/83/802722083.db2.gz ZGDKHEOPHSAILH-CQSZACIVSA-N 2 1 274.408 2.441 20 0 CEADMP c1[nH+]c(CN2CCC([NH+]3CCC3)CC2)n2ccccc12 ZINC001207056439 802730189 /nfs/dbraw/zinc/73/01/89/802730189.db2.gz RQPBSUHQDHBRPZ-UHFFFAOYSA-N 2 1 270.380 2.004 20 0 CEADMP C[N@@H+](C[C@H]1CC[C@@H](C(F)(F)F)O1)CC(C)(C)C[NH3+] ZINC000721445556 802776977 /nfs/dbraw/zinc/77/69/77/802776977.db2.gz PIDQFYGEHHUBGM-ZJUUUORDSA-N 2 1 268.323 2.013 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000721451931 802796775 /nfs/dbraw/zinc/79/67/75/802796775.db2.gz YOMXRCCESQMSLP-QJPTWQEYSA-N 2 1 282.350 2.402 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001266640021 802807730 /nfs/dbraw/zinc/80/77/30/802807730.db2.gz MVELFBXKRKRKEC-SHTZXODSSA-N 2 1 297.487 2.390 20 0 CEADMP CC(C)=CC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266741012 802874638 /nfs/dbraw/zinc/87/46/38/802874638.db2.gz HLHJEGSWEIXQHJ-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000723682442 802924570 /nfs/dbraw/zinc/92/45/70/802924570.db2.gz HMEHVCMZVHMVRE-SNVBAGLBSA-N 2 1 282.771 2.239 20 0 CEADMP [NH3+]CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000723698631 802925368 /nfs/dbraw/zinc/92/53/68/802925368.db2.gz INLTZSQTXXXTCM-JTQLQIEISA-N 2 1 299.777 2.088 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000723698631 802925372 /nfs/dbraw/zinc/92/53/72/802925372.db2.gz INLTZSQTXXXTCM-JTQLQIEISA-N 2 1 299.777 2.088 20 0 CEADMP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001266870952 802963113 /nfs/dbraw/zinc/96/31/13/802963113.db2.gz QZHOBEAUDFPLAD-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1CC[NH3+] ZINC000723883234 802963208 /nfs/dbraw/zinc/96/32/08/802963208.db2.gz NMDVIVLFOFLTRR-GMTAPVOTSA-N 2 1 265.228 2.487 20 0 CEADMP COc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc(OC)c1 ZINC000723886508 802964495 /nfs/dbraw/zinc/96/44/95/802964495.db2.gz CNZQLINHRIZKDK-TZMCWYRMSA-N 2 1 278.396 2.121 20 0 CEADMP CCCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266894006 802975148 /nfs/dbraw/zinc/97/51/48/802975148.db2.gz FWZDXJTVFFTFGM-HOTGVXAUSA-N 2 1 297.487 2.345 20 0 CEADMP C1CC1[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCOC1 ZINC000723978162 802982763 /nfs/dbraw/zinc/98/27/63/802982763.db2.gz OJUXQARDJXEQIY-YOEHRIQHSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC1=CCCCC1 ZINC001266949657 803016624 /nfs/dbraw/zinc/01/66/24/803016624.db2.gz VZZDSQDDCLKOCP-ZBFHGGJFSA-N 2 1 293.455 2.065 20 0 CEADMP CC[NH+](CC)CCN1CC[NH+]([C@@H](C)CC(F)(F)F)CC1 ZINC001255645193 813838803 /nfs/dbraw/zinc/83/88/03/813838803.db2.gz BPUOMVHBZZOUEX-ZDUSSCGKSA-N 2 1 295.393 2.287 20 0 CEADMP CCC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCCCC1 ZINC001115572995 814724500 /nfs/dbraw/zinc/72/45/00/814724500.db2.gz CNFCVFFFJADCMZ-UHFFFAOYSA-N 2 1 295.471 2.289 20 0 CEADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000725116223 803430357 /nfs/dbraw/zinc/43/03/57/803430357.db2.gz RUWNGJPHSXXYIM-PMPSAXMXSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@]1(C(F)(F)F)C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000712720848 814767849 /nfs/dbraw/zinc/76/78/49/814767849.db2.gz NBKGXWVSNJJSKC-NWDGAFQWSA-N 2 1 280.334 2.029 20 0 CEADMP C[C@]1(C(F)(F)F)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000712720848 814767850 /nfs/dbraw/zinc/76/78/50/814767850.db2.gz NBKGXWVSNJJSKC-NWDGAFQWSA-N 2 1 280.334 2.029 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)CCO1 ZINC001117752046 814944159 /nfs/dbraw/zinc/94/41/59/814944159.db2.gz VHIBKKMWECZGQE-TUVASFSCSA-N 2 1 254.418 2.406 20 0 CEADMP Cc1ccccc1O[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207437250 803611202 /nfs/dbraw/zinc/61/12/02/803611202.db2.gz GLKJKNRGESGVRQ-INIZCTEOSA-N 2 1 274.408 2.448 20 0 CEADMP CCCCc1ncc(CN2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)[nH]1 ZINC001141074084 803702648 /nfs/dbraw/zinc/70/26/48/803702648.db2.gz WWLQABDCJPVUBB-DZGCQCFKSA-N 2 1 276.428 2.278 20 0 CEADMP CCCCc1ncc(CN2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)[nH]1 ZINC001141074084 803702650 /nfs/dbraw/zinc/70/26/50/803702650.db2.gz WWLQABDCJPVUBB-DZGCQCFKSA-N 2 1 276.428 2.278 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715391449 814963125 /nfs/dbraw/zinc/96/31/25/814963125.db2.gz FVYYZMPGFGLLKZ-KFWWJZLASA-N 2 1 252.402 2.147 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715391449 814963127 /nfs/dbraw/zinc/96/31/27/814963127.db2.gz FVYYZMPGFGLLKZ-KFWWJZLASA-N 2 1 252.402 2.147 20 0 CEADMP Cc1ccsc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925629597 803808375 /nfs/dbraw/zinc/80/83/75/803808375.db2.gz KOSMLKLUTDIXIP-ZDUSSCGKSA-N 2 1 250.411 2.473 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222154614 803810107 /nfs/dbraw/zinc/81/01/07/803810107.db2.gz OGIAOOLPKKPVIO-SJORKVTESA-N 3 1 279.472 2.232 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222154614 803810114 /nfs/dbraw/zinc/81/01/14/803810114.db2.gz OGIAOOLPKKPVIO-SJORKVTESA-N 2 1 279.472 2.232 20 0 CEADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC001117953187 814968761 /nfs/dbraw/zinc/96/87/61/814968761.db2.gz CDQBSXSTRQAXHZ-SNVBAGLBSA-N 2 1 284.787 2.199 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[C@H](C4CC4)O3)C[C@H]21 ZINC000715536611 814973668 /nfs/dbraw/zinc/97/36/68/814973668.db2.gz SKCRNXGTOHFMKM-YIDVYQOGSA-N 2 1 264.413 2.003 20 0 CEADMP C([C@@H]1CC[C@H](C2CC2)O1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000715540392 814973792 /nfs/dbraw/zinc/97/37/92/814973792.db2.gz VBIWDSWRWJZIJM-LTIDMASMSA-N 2 1 278.440 2.408 20 0 CEADMP [NH3+]CCCCCCc1nc([C@H]([NH3+])c2ccccc2)no1 ZINC001118171464 814989666 /nfs/dbraw/zinc/98/96/66/814989666.db2.gz BKHQHKZBNIRUAL-CQSZACIVSA-N 2 1 274.368 2.179 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)[C@H]1CCC[NH2+]1 ZINC000423104488 804111719 /nfs/dbraw/zinc/11/17/19/804111719.db2.gz BODQHSFDGQQYBB-VHDGCEQUSA-N 2 1 260.381 2.110 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC)CCCCC1 ZINC001115562620 804150360 /nfs/dbraw/zinc/15/03/60/804150360.db2.gz CPNXFINXJPZCAB-HNNXBMFYSA-N 2 1 295.471 2.289 20 0 CEADMP CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001027878938 804313673 /nfs/dbraw/zinc/31/36/73/804313673.db2.gz KHANUJNDYJVZMN-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001027878938 804313683 /nfs/dbraw/zinc/31/36/83/804313683.db2.gz KHANUJNDYJVZMN-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001027878938 804313693 /nfs/dbraw/zinc/31/36/93/804313693.db2.gz KHANUJNDYJVZMN-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001027970884 804372251 /nfs/dbraw/zinc/37/22/51/804372251.db2.gz UTSPDEKJBHGLCJ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001027970884 804372255 /nfs/dbraw/zinc/37/22/55/804372255.db2.gz UTSPDEKJBHGLCJ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001027970884 804372263 /nfs/dbraw/zinc/37/22/63/804372263.db2.gz UTSPDEKJBHGLCJ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001027970884 804372271 /nfs/dbraw/zinc/37/22/71/804372271.db2.gz UTSPDEKJBHGLCJ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H]2COC[C@]2(COC)C1 ZINC001167827473 804391334 /nfs/dbraw/zinc/39/13/34/804391334.db2.gz SZYQVVCQEZZHOA-BRWVUGGUSA-N 2 1 298.471 2.092 20 0 CEADMP C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccns1 ZINC000716017560 815014355 /nfs/dbraw/zinc/01/43/55/815014355.db2.gz BANZITNKJYWHKX-SNVBAGLBSA-N 2 1 251.399 2.421 20 0 CEADMP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001268105290 804443485 /nfs/dbraw/zinc/44/34/85/804443485.db2.gz NKZBRFIUSPDTBT-OWCLPIDISA-N 2 1 297.487 2.247 20 0 CEADMP CC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001268150849 804490418 /nfs/dbraw/zinc/49/04/18/804490418.db2.gz MENUNOFVRHMKMZ-FYCOFBDGSA-N 2 1 295.471 2.264 20 0 CEADMP CC/C=C/CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001268150849 804490425 /nfs/dbraw/zinc/49/04/25/804490425.db2.gz MENUNOFVRHMKMZ-FYCOFBDGSA-N 2 1 295.471 2.264 20 0 CEADMP CC/C=C/CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001268150849 804490428 /nfs/dbraw/zinc/49/04/28/804490428.db2.gz MENUNOFVRHMKMZ-FYCOFBDGSA-N 2 1 295.471 2.264 20 0 CEADMP c1ccn(-c2ccccc2C[N@@H+]2CCC[NH2+]CC2)c1 ZINC001204674811 804531529 /nfs/dbraw/zinc/53/15/29/804531529.db2.gz FPTBNRSWIWWYQD-UHFFFAOYSA-N 2 1 255.365 2.273 20 0 CEADMP c1ccn(-c2ccccc2C[N@H+]2CCC[NH2+]CC2)c1 ZINC001204674811 804531535 /nfs/dbraw/zinc/53/15/35/804531535.db2.gz FPTBNRSWIWWYQD-UHFFFAOYSA-N 2 1 255.365 2.273 20 0 CEADMP CC(C)CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001268227844 804555874 /nfs/dbraw/zinc/55/58/74/804555874.db2.gz XTDLKTHMYYKGJS-HZPDHXFCSA-N 2 1 297.487 2.105 20 0 CEADMP COc1c(F)cccc1CN1CCc2nccn2CC1 ZINC001143537103 804681240 /nfs/dbraw/zinc/68/12/40/804681240.db2.gz PGMGOVSPJFAWKX-UHFFFAOYSA-N 2 1 275.327 2.089 20 0 CEADMP CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001028537933 804835082 /nfs/dbraw/zinc/83/50/82/804835082.db2.gz VPJHGVWKNVDDIA-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028537933 804835090 /nfs/dbraw/zinc/83/50/90/804835090.db2.gz VPJHGVWKNVDDIA-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537933 804835097 /nfs/dbraw/zinc/83/50/97/804835097.db2.gz VPJHGVWKNVDDIA-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP c1csc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)n1 ZINC000710408890 805000375 /nfs/dbraw/zinc/00/03/75/805000375.db2.gz SINYNQUMRUEEIO-GFCCVEGCSA-N 2 1 251.399 2.280 20 0 CEADMP C(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C[NH+]1CCCC1 ZINC001167957999 805284997 /nfs/dbraw/zinc/28/49/97/805284997.db2.gz ALWBZAZDFUALQY-AYHJJNSGSA-N 2 1 291.483 2.467 20 0 CEADMP C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C[NH+]1CCCC1 ZINC001167957999 805285008 /nfs/dbraw/zinc/28/50/08/805285008.db2.gz ALWBZAZDFUALQY-AYHJJNSGSA-N 3 1 291.483 2.467 20 0 CEADMP C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C[NH+]1CCCC1 ZINC001167957999 805285018 /nfs/dbraw/zinc/28/50/18/805285018.db2.gz ALWBZAZDFUALQY-AYHJJNSGSA-N 3 1 291.483 2.467 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC)C1 ZINC001028919052 805356972 /nfs/dbraw/zinc/35/69/72/805356972.db2.gz QDDMLPCKMHKMCY-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC001028919052 805356981 /nfs/dbraw/zinc/35/69/81/805356981.db2.gz QDDMLPCKMHKMCY-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC001028919052 805356988 /nfs/dbraw/zinc/35/69/88/805356988.db2.gz QDDMLPCKMHKMCY-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCNC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167965423 805466123 /nfs/dbraw/zinc/46/61/23/805466123.db2.gz FDJMGEMWHHWAKW-KCBNDJSGSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@@H]1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965423 805466125 /nfs/dbraw/zinc/46/61/25/805466125.db2.gz FDJMGEMWHHWAKW-KCBNDJSGSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@@H]1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965423 805466128 /nfs/dbraw/zinc/46/61/28/805466128.db2.gz FDJMGEMWHHWAKW-KCBNDJSGSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167965423 805466133 /nfs/dbraw/zinc/46/61/33/805466133.db2.gz FDJMGEMWHHWAKW-KCBNDJSGSA-N 3 1 291.483 2.466 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167965423 805466135 /nfs/dbraw/zinc/46/61/35/805466135.db2.gz FDJMGEMWHHWAKW-KCBNDJSGSA-N 3 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965423 805466137 /nfs/dbraw/zinc/46/61/37/805466137.db2.gz FDJMGEMWHHWAKW-KCBNDJSGSA-N 3 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965423 805466142 /nfs/dbraw/zinc/46/61/42/805466142.db2.gz FDJMGEMWHHWAKW-KCBNDJSGSA-N 3 1 291.483 2.466 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCC3)CO2)CC[N@H+]1C ZINC000716292389 815111355 /nfs/dbraw/zinc/11/13/55/815111355.db2.gz YZWDSGLRJNYNJF-KFWWJZLASA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127254387 807503968 /nfs/dbraw/zinc/50/39/68/807503968.db2.gz FAJHJKHYVGVWJK-JKSUJKDBSA-N 2 1 295.471 2.003 20 0 CEADMP COc1c(C)c[nH+]c(CN2[C@@H](C)CC[C@H]2C[NH3+])c1C ZINC001205087796 807537759 /nfs/dbraw/zinc/53/77/59/807537759.db2.gz JLMZGCUGBMVGNE-AAEUAGOBSA-N 2 1 263.385 2.019 20 0 CEADMP COc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)ccc1F ZINC001205095463 807592254 /nfs/dbraw/zinc/59/22/54/807592254.db2.gz XTHMJVRAPTXTKX-GFCCVEGCSA-N 2 1 252.333 2.148 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccc1F ZINC001205095463 807592260 /nfs/dbraw/zinc/59/22/60/807592260.db2.gz XTHMJVRAPTXTKX-GFCCVEGCSA-N 2 1 252.333 2.148 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699207856 807648476 /nfs/dbraw/zinc/64/84/76/807648476.db2.gz WZQNYSNOSTXTJY-VEDBGLOESA-N 2 1 277.456 2.076 20 0 CEADMP [NH3+]Cc1nccnc1Nc1cccc(C2=[NH+]CCC2)c1 ZINC001171448583 815139241 /nfs/dbraw/zinc/13/92/41/815139241.db2.gz BZTPZLBUASOYMB-UHFFFAOYSA-N 2 1 267.336 2.262 20 0 CEADMP C[C@H](CCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716727925 815144188 /nfs/dbraw/zinc/14/41/88/815144188.db2.gz NLJAKZDVQWUZOZ-SPUZQDLCSA-N 2 1 288.435 2.400 20 0 CEADMP CC(C)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127345169 807754364 /nfs/dbraw/zinc/75/43/64/807754364.db2.gz XUZCTZWPPBQENM-OAHLLOKOSA-N 2 1 295.471 2.003 20 0 CEADMP COc1c(Cl)cccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205140896 807788543 /nfs/dbraw/zinc/78/85/43/807788543.db2.gz QOWFBFYAAQRWMD-CMPLNLGQSA-N 2 1 268.788 2.375 20 0 CEADMP COc1c(Cl)cccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205140896 807788546 /nfs/dbraw/zinc/78/85/46/807788546.db2.gz QOWFBFYAAQRWMD-CMPLNLGQSA-N 2 1 268.788 2.375 20 0 CEADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001235769912 807854356 /nfs/dbraw/zinc/85/43/56/807854356.db2.gz IEGNVYARXCYRQV-MELADBBJSA-N 2 1 270.417 2.025 20 0 CEADMP CCCC[C@H](CC)C[N@H+]1C[C@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001235769912 807854364 /nfs/dbraw/zinc/85/43/64/807854364.db2.gz IEGNVYARXCYRQV-MELADBBJSA-N 2 1 270.417 2.025 20 0 CEADMP C[N@H+]1CCCC[C@@H]1c1ccc(Nc2nccnc2C[NH3+])nc1 ZINC001171449583 815161812 /nfs/dbraw/zinc/16/18/12/815161812.db2.gz IQUAKKOCGSJZHD-CQSZACIVSA-N 2 1 298.394 2.231 20 0 CEADMP C[C@@H]1C[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCO1 ZINC001171630793 815201197 /nfs/dbraw/zinc/20/11/97/815201197.db2.gz BZDNXYRAXJAZKM-GFCCVEGCSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCO1 ZINC001171630793 815201199 /nfs/dbraw/zinc/20/11/99/815201199.db2.gz BZDNXYRAXJAZKM-GFCCVEGCSA-N 2 1 254.418 2.359 20 0 CEADMP CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120208439 815204161 /nfs/dbraw/zinc/20/41/61/815204161.db2.gz ZQLVSIQEYYKESD-OAHLLOKOSA-N 2 1 295.471 2.289 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[NH+](CC)CC2 ZINC001107455028 808442716 /nfs/dbraw/zinc/44/27/16/808442716.db2.gz VEAZFGWOGAJRAJ-RHSMWYFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC)CC2 ZINC001107455028 808442725 /nfs/dbraw/zinc/44/27/25/808442725.db2.gz VEAZFGWOGAJRAJ-RHSMWYFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC)CC2 ZINC001107455028 808442731 /nfs/dbraw/zinc/44/27/31/808442731.db2.gz VEAZFGWOGAJRAJ-RHSMWYFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1C(C)(C)CC(N2CC[N@H+]3CCC[C@H]3C2)CC1(C)C ZINC001171637920 815213493 /nfs/dbraw/zinc/21/34/93/815213493.db2.gz SNNKCEBJXPHOLT-AWEZNQCLSA-N 2 1 279.472 2.418 20 0 CEADMP CCN(C1C[NH+](C)C1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641226 815214894 /nfs/dbraw/zinc/21/48/94/815214894.db2.gz NPHYVEHLXLKBSE-UHFFFAOYSA-N 2 1 267.461 2.274 20 0 CEADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210098 808557227 /nfs/dbraw/zinc/55/72/27/808557227.db2.gz MOZOYMIUTZTWJK-CABCVRRESA-N 2 1 256.434 2.379 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001205210319 808558871 /nfs/dbraw/zinc/55/88/71/808558871.db2.gz NRVQKQKBEFYHTK-OAHLLOKOSA-N 2 1 254.418 2.133 20 0 CEADMP C[C@@H]1C[C@H](n2nccc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171727012 815217685 /nfs/dbraw/zinc/21/76/85/815217685.db2.gz NPGYZNLNTRNXRW-CJNGLKHVSA-N 2 1 270.380 2.177 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc3occc3c2)CC1 ZINC001205220925 808624636 /nfs/dbraw/zinc/62/46/36/808624636.db2.gz NTVAXPUHMPXKSF-MRXNPFEDSA-N 2 1 274.364 2.109 20 0 CEADMP COc1ccc([C@@H]2C[C@H]([N@@H+](C)C[C@@H](C)C[NH3+])CCO2)cc1 ZINC001168614938 808726617 /nfs/dbraw/zinc/72/66/17/808726617.db2.gz MQAVRXXDYPJMCP-LXZKKBNFSA-N 2 1 292.423 2.442 20 0 CEADMP C[NH+](C)C1CCC(N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000715521020 808747684 /nfs/dbraw/zinc/74/76/84/808747684.db2.gz FRSCJQBFCBVRPT-UYSNPLJNSA-N 2 1 265.445 2.029 20 0 CEADMP CC[NH+](CC)[C@@H](CNc1cc(N)[nH+]cn1)CC(C)C ZINC001120778837 815273127 /nfs/dbraw/zinc/27/31/27/815273127.db2.gz OCNSZURUYPWGQS-GFCCVEGCSA-N 2 1 265.405 2.227 20 0 CEADMP N[C@H]1CC[N@@H+](CCc2ccc(F)cc2)CC[C@@H]1F ZINC001206155969 815281191 /nfs/dbraw/zinc/28/11/91/815281191.db2.gz NMPRVSOPBYZRKV-KBPBESRZSA-N 2 1 254.324 2.129 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](CCc2ccc(F)cc2)CC[C@@H]1F ZINC001206155969 815281196 /nfs/dbraw/zinc/28/11/96/815281196.db2.gz NMPRVSOPBYZRKV-KBPBESRZSA-N 2 1 254.324 2.129 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)c1ccccc1)C2 ZINC001172100875 815284549 /nfs/dbraw/zinc/28/45/49/815284549.db2.gz UHSFDGIYDYZBHW-YYIAUSFCSA-N 2 1 274.408 2.325 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001033688457 809381764 /nfs/dbraw/zinc/38/17/64/809381764.db2.gz QQZPRBACWUCPQL-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033688457 809381766 /nfs/dbraw/zinc/38/17/66/809381766.db2.gz QQZPRBACWUCPQL-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172124645 815285977 /nfs/dbraw/zinc/28/59/77/815285977.db2.gz MRJKRVPMICAQFG-MUJYYYPQSA-N 2 1 265.445 2.029 20 0 CEADMP CCOCC[NH+](CCOCC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172126675 815287839 /nfs/dbraw/zinc/28/78/39/815287839.db2.gz XYJLVYRDSVQZFH-FVQHAEBGSA-N 2 1 298.471 2.377 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncc(Cl)n1)C2 ZINC001172104354 815293938 /nfs/dbraw/zinc/29/39/38/815293938.db2.gz BYENVPXTNMJVCB-LMKPVCQUSA-N 2 1 280.803 2.235 20 0 CEADMP COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129926 815289413 /nfs/dbraw/zinc/28/94/13/815289413.db2.gz FFPWPTYPJNJPGC-XMEMRUQMSA-N 2 1 292.423 2.028 20 0 CEADMP COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129926 815289416 /nfs/dbraw/zinc/28/94/16/815289416.db2.gz FFPWPTYPJNJPGC-XMEMRUQMSA-N 2 1 292.423 2.028 20 0 CEADMP COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129926 815289420 /nfs/dbraw/zinc/28/94/20/815289420.db2.gz FFPWPTYPJNJPGC-XMEMRUQMSA-N 2 1 292.423 2.028 20 0 CEADMP COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129926 815289421 /nfs/dbraw/zinc/28/94/21/815289421.db2.gz FFPWPTYPJNJPGC-XMEMRUQMSA-N 2 1 292.423 2.028 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCCCC1 ZINC001128783437 809456923 /nfs/dbraw/zinc/45/69/23/809456923.db2.gz HJEQZJQATRATRV-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCC1CCC1 ZINC001128786776 809462410 /nfs/dbraw/zinc/46/24/10/809462410.db2.gz VXVMJRIEAOWITK-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CC[N@H+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC001172132890 815291052 /nfs/dbraw/zinc/29/10/52/815291052.db2.gz PUQCNVZGPXTUCW-LVQVYYBASA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC001172132890 815291055 /nfs/dbraw/zinc/29/10/55/815291055.db2.gz PUQCNVZGPXTUCW-LVQVYYBASA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC001172132890 815291060 /nfs/dbraw/zinc/29/10/60/815291060.db2.gz PUQCNVZGPXTUCW-LVQVYYBASA-N 2 1 265.445 2.028 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncc(Cl)n1)C2 ZINC001172104354 815293934 /nfs/dbraw/zinc/29/39/34/815293934.db2.gz BYENVPXTNMJVCB-LMKPVCQUSA-N 2 1 280.803 2.235 20 0 CEADMP COC(=O)CCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101816 815293991 /nfs/dbraw/zinc/29/39/91/815293991.db2.gz BLKQZKXADQWQNL-QDMKHBRRSA-N 2 1 282.428 2.325 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C(N)=O)CCCCCC1)C2 ZINC001172103176 815294497 /nfs/dbraw/zinc/29/44/97/815294497.db2.gz UCLHMSQZUHCFSK-QKDCVEJESA-N 2 1 293.455 2.170 20 0 CEADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034131909 809528562 /nfs/dbraw/zinc/52/85/62/809528562.db2.gz OWJRRZCOZIRZKT-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034131909 809528565 /nfs/dbraw/zinc/52/85/65/809528565.db2.gz OWJRRZCOZIRZKT-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034131909 809528569 /nfs/dbraw/zinc/52/85/69/809528569.db2.gz OWJRRZCOZIRZKT-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](C(C)C)C1 ZINC001034238269 809561497 /nfs/dbraw/zinc/56/14/97/809561497.db2.gz BSDGMUHACNHDQL-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034238269 809561501 /nfs/dbraw/zinc/56/15/01/809561501.db2.gz BSDGMUHACNHDQL-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](C(C)C)C1 ZINC001034238269 809561503 /nfs/dbraw/zinc/56/15/03/809561503.db2.gz BSDGMUHACNHDQL-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc3ccccn3n1)C2 ZINC001172110849 815300638 /nfs/dbraw/zinc/30/06/38/815300638.db2.gz QAYRYBUHHZLJKV-MKZZRHPPSA-N 2 1 284.407 2.439 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc3ccccn3n1)C2 ZINC001172110849 815300648 /nfs/dbraw/zinc/30/06/48/815300648.db2.gz QAYRYBUHHZLJKV-MKZZRHPPSA-N 2 1 284.407 2.439 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1O)C2 ZINC001172111830 815301037 /nfs/dbraw/zinc/30/10/37/815301037.db2.gz WPZOFOKCSULCDS-IBEHDNSVSA-N 2 1 266.429 2.142 20 0 CEADMP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172113306 815302551 /nfs/dbraw/zinc/30/25/51/815302551.db2.gz GLJSHWXLDNQTOY-RDSHKEJNSA-N 3 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172113306 815302554 /nfs/dbraw/zinc/30/25/54/815302554.db2.gz GLJSHWXLDNQTOY-RDSHKEJNSA-N 3 1 279.472 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1c3ccccc3C[C@@H]1O)C2 ZINC001172118543 815306105 /nfs/dbraw/zinc/30/61/05/815306105.db2.gz RLUVDRVCNDTISM-CRCOGDFISA-N 2 1 286.419 2.250 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(C[C@H]3CCO)CC1)C2 ZINC001172115829 815306371 /nfs/dbraw/zinc/30/63/71/815306371.db2.gz AGAWUOPFWXQOML-WCXIOVBPSA-N 2 1 292.467 2.486 20 0 CEADMP COC(=O)[C@@]1(C)CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001172121235 815308408 /nfs/dbraw/zinc/30/84/08/815308408.db2.gz CWGULZBTIWWYFI-HWMZRRJGSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@@]1(C)CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121235 815308414 /nfs/dbraw/zinc/30/84/14/815308414.db2.gz CWGULZBTIWWYFI-HWMZRRJGSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@@]1(C)CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121235 815308418 /nfs/dbraw/zinc/30/84/18/815308418.db2.gz CWGULZBTIWWYFI-HWMZRRJGSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@@]1(C)CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172121235 815308423 /nfs/dbraw/zinc/30/84/23/815308423.db2.gz CWGULZBTIWWYFI-HWMZRRJGSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@@]1(C)CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121235 815308429 /nfs/dbraw/zinc/30/84/29/815308429.db2.gz CWGULZBTIWWYFI-HWMZRRJGSA-N 2 1 294.439 2.277 20 0 CEADMP CC[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](CC)CO1 ZINC000703884827 809701987 /nfs/dbraw/zinc/70/19/87/809701987.db2.gz LCCWOJOOAJHVGE-GWONACJQSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000704338651 809730260 /nfs/dbraw/zinc/73/02/60/809730260.db2.gz RGIXYRKMRIPLAH-ZDUSSCGKSA-N 2 1 266.360 2.353 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000704338651 809730264 /nfs/dbraw/zinc/73/02/64/809730264.db2.gz RGIXYRKMRIPLAH-ZDUSSCGKSA-N 2 1 266.360 2.353 20 0 CEADMP CN(Cc1cc2c(s1)CC[NH2+]C2)C[C@H]1CCC[N@@H+](C)C1 ZINC000705144065 809770367 /nfs/dbraw/zinc/77/03/67/809770367.db2.gz ABGFZJNMVCBFEK-ZDUSSCGKSA-N 2 1 293.480 2.167 20 0 CEADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@H]1CCC[NH+](C)C1 ZINC000705144065 809770368 /nfs/dbraw/zinc/77/03/68/809770368.db2.gz ABGFZJNMVCBFEK-ZDUSSCGKSA-N 3 1 293.480 2.167 20 0 CEADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@H]1CCC[NH+](C)C1 ZINC000705144065 809770373 /nfs/dbraw/zinc/77/03/73/809770373.db2.gz ABGFZJNMVCBFEK-ZDUSSCGKSA-N 3 1 293.480 2.167 20 0 CEADMP C[NH+](Cc1cc2c(s1)CC[NH2+]C2)C[C@H]1CCC[N@H+](C)C1 ZINC000705144065 809770377 /nfs/dbraw/zinc/77/03/77/809770377.db2.gz ABGFZJNMVCBFEK-ZDUSSCGKSA-N 3 1 293.480 2.167 20 0 CEADMP C[NH+](Cc1cc2c(s1)CC[NH2+]C2)C[C@H]1CCC[N@@H+](C)C1 ZINC000705144065 809770379 /nfs/dbraw/zinc/77/03/79/809770379.db2.gz ABGFZJNMVCBFEK-ZDUSSCGKSA-N 3 1 293.480 2.167 20 0 CEADMP c1cc2c(nc[nH+]c2N[C@H]2CC[NH2+]C3(CCC3)C2)[nH]1 ZINC000705212940 809773193 /nfs/dbraw/zinc/77/31/93/809773193.db2.gz QZGRGVWCLYNSSN-JTQLQIEISA-N 2 1 257.341 2.045 20 0 CEADMP CC(C)CCOCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709824446 809970360 /nfs/dbraw/zinc/97/03/60/809970360.db2.gz DLQUUIIOPDZISI-VXGBXAGGSA-N 2 1 282.350 2.118 20 0 CEADMP CC(C)CCOCC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709824446 809970366 /nfs/dbraw/zinc/97/03/66/809970366.db2.gz DLQUUIIOPDZISI-VXGBXAGGSA-N 2 1 282.350 2.118 20 0 CEADMP FC1(F)CC[C@H](C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000709809825 809970404 /nfs/dbraw/zinc/97/04/04/809970404.db2.gz UAHUPTRYYNTWBY-STQMWFEESA-N 2 1 258.356 2.497 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCC3(CCCC3)O1)C2 ZINC000709801241 809970564 /nfs/dbraw/zinc/97/05/64/809970564.db2.gz PJTFUYZLBBOXBJ-ZQDZILKHSA-N 2 1 264.413 2.290 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000709829280 809972024 /nfs/dbraw/zinc/97/20/24/809972024.db2.gz UHJZHCZUPZSIRQ-DLBZAZTESA-N 2 1 274.408 2.450 20 0 CEADMP [NH3+]Cc1nc2c(s1)CC[N@@H+](C1Cc3ccccc3C1)C2 ZINC000710189469 809984397 /nfs/dbraw/zinc/98/43/97/809984397.db2.gz PTXOAMBCORNXEX-UHFFFAOYSA-N 2 1 285.416 2.127 20 0 CEADMP [NH3+]Cc1nc2c(s1)CC[N@H+](C1Cc3ccccc3C1)C2 ZINC000710189469 809984402 /nfs/dbraw/zinc/98/44/02/809984402.db2.gz PTXOAMBCORNXEX-UHFFFAOYSA-N 2 1 285.416 2.127 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)CCCCCC[NH3+])o1 ZINC000710819462 809993930 /nfs/dbraw/zinc/99/39/30/809993930.db2.gz RZIUHOVUMBJARC-UHFFFAOYSA-N 2 1 268.357 2.017 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000710840917 809994946 /nfs/dbraw/zinc/99/49/46/809994946.db2.gz CDFXDGDYXCMGMH-UHFFFAOYSA-N 2 1 278.396 2.424 20 0 CEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206163111 815333930 /nfs/dbraw/zinc/33/39/30/815333930.db2.gz AAZXAJXRZKXLPE-UONOGXRCSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206163111 815333938 /nfs/dbraw/zinc/33/39/38/815333938.db2.gz AAZXAJXRZKXLPE-UONOGXRCSA-N 2 1 254.324 2.395 20 0 CEADMP [NH3+]C1(c2cccnc2)CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172222992 815339620 /nfs/dbraw/zinc/33/96/20/815339620.db2.gz MWULEIMGRRPCFX-MQVJKMGUSA-N 2 1 287.407 2.041 20 0 CEADMP C(C1CC1)[N@H+]1CCC2(CN(C3C[C@H]4CC[C@@H](C3)O4)C2)C1 ZINC001172225366 815339982 /nfs/dbraw/zinc/33/99/82/815339982.db2.gz MUMOWVRAFOIAJD-MQVJKMGUSA-N 2 1 276.424 2.114 20 0 CEADMP C(C1CC1)[N@@H+]1CCC2(C[NH+](C3C[C@H]4CC[C@@H](C3)O4)C2)C1 ZINC001172225366 815339988 /nfs/dbraw/zinc/33/99/88/815339988.db2.gz MUMOWVRAFOIAJD-MQVJKMGUSA-N 2 1 276.424 2.114 20 0 CEADMP Cc1cccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1C ZINC000923506911 810104509 /nfs/dbraw/zinc/10/45/09/810104509.db2.gz HILGMRNTZNGWFE-DZGCQCFKSA-N 2 1 289.423 2.159 20 0 CEADMP CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001080998907 810319384 /nfs/dbraw/zinc/31/93/84/810319384.db2.gz SOHQCHOAVXRIMQ-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001080998907 810319390 /nfs/dbraw/zinc/31/93/90/810319390.db2.gz SOHQCHOAVXRIMQ-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCC[NH2+]C)C1 ZINC001121923894 815366845 /nfs/dbraw/zinc/36/68/45/815366845.db2.gz UMXYHDNRIBRNLL-HNNXBMFYSA-N 2 1 297.487 2.393 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001017266657 810502841 /nfs/dbraw/zinc/50/28/41/810502841.db2.gz MDYJESWQCYEHRR-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001017266657 810502849 /nfs/dbraw/zinc/50/28/49/810502849.db2.gz MDYJESWQCYEHRR-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001017266657 810502853 /nfs/dbraw/zinc/50/28/53/810502853.db2.gz MDYJESWQCYEHRR-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001085310919 810720790 /nfs/dbraw/zinc/72/07/90/810720790.db2.gz XEGIVQWLDZWKSW-CAOSSQGBSA-N 2 1 295.471 2.142 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1F ZINC001206164176 815402236 /nfs/dbraw/zinc/40/22/36/815402236.db2.gz JIDKPGKAFGWGFT-JSGCOSHPSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1F ZINC001206164176 815402240 /nfs/dbraw/zinc/40/22/40/815402240.db2.gz JIDKPGKAFGWGFT-JSGCOSHPSA-N 2 1 254.324 2.395 20 0 CEADMP CCc1cnc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)s1 ZINC000723912906 811031606 /nfs/dbraw/zinc/03/16/06/811031606.db2.gz YFOLBBLVCDGOMH-GHMZBOCLSA-N 2 1 253.415 2.122 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(C)C)C1 ZINC001086102080 811032894 /nfs/dbraw/zinc/03/28/94/811032894.db2.gz IGEQFVUYTVEKQE-OWCLPIDISA-N 2 1 295.471 2.001 20 0 CEADMP C[N@@H+]1CC=C(c2ccc(CN3CCOCC3)cc2)CC1 ZINC001241319418 811057607 /nfs/dbraw/zinc/05/76/07/811057607.db2.gz JIJVVYBGMPQCPL-UHFFFAOYSA-N 2 1 272.392 2.238 20 0 CEADMP C[N@H+]1CC=C(c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001241319418 811057614 /nfs/dbraw/zinc/05/76/14/811057614.db2.gz JIJVVYBGMPQCPL-UHFFFAOYSA-N 2 1 272.392 2.238 20 0 CEADMP C[N@@H+]1CC=C(c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001241319418 811057623 /nfs/dbraw/zinc/05/76/23/811057623.db2.gz JIJVVYBGMPQCPL-UHFFFAOYSA-N 2 1 272.392 2.238 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(C)C)C1 ZINC001086382446 811122112 /nfs/dbraw/zinc/12/21/12/811122112.db2.gz IGEQFVUYTVEKQE-JYJNAYRXSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)COCC[C@H](C)[N@@H+](C)C1CCN(C)CC1 ZINC001172469825 815427743 /nfs/dbraw/zinc/42/77/43/815427743.db2.gz VAGKHCQQDXHDOC-AWEZNQCLSA-N 2 1 256.434 2.464 20 0 CEADMP [NH3+][C@@H]1CCc2nn(-c3cc[nH+]cc3C(F)(F)F)cc2C1 ZINC001168816839 811244712 /nfs/dbraw/zinc/24/47/12/811244712.db2.gz ULNVLCHFSWIRSD-SECBINFHSA-N 2 1 282.269 2.102 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc(F)c1O ZINC001205993451 811262318 /nfs/dbraw/zinc/26/23/18/811262318.db2.gz HQYJXJJRIYTCTM-YPMHNXCESA-N 2 1 296.386 2.347 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3nccnc23)CCC[C@H]1C[NH3+] ZINC001205995549 811290309 /nfs/dbraw/zinc/29/03/09/811290309.db2.gz PADXJOALRNGYFA-KGLIPLIRSA-N 2 1 284.407 2.437 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ncccc2F)CCC[C@H]1C[NH3+] ZINC001205996367 811342546 /nfs/dbraw/zinc/34/25/46/811342546.db2.gz WOEQUHBGIMZTCJ-NEPJUHHUSA-N 2 1 251.349 2.028 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC[C@H]1CCCCO1)C2 ZINC001169092688 811362919 /nfs/dbraw/zinc/36/29/19/811362919.db2.gz CKRWVCZQUJURJO-APIJFGDWSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N(CC[NH3+])Cc1ccccc1)C2 ZINC001169093796 811365046 /nfs/dbraw/zinc/36/50/46/811365046.db2.gz JDZLAZNYMWOOLV-FVQHAEBGSA-N 2 1 273.424 2.073 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1C[C@@H]([NH3+])Cc3ccccc31)C2 ZINC001169093554 811365886 /nfs/dbraw/zinc/36/58/86/811365886.db2.gz ILNPZNJFLAUOAF-JONQDZQNSA-N 2 1 271.408 2.002 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1Cc3ccccc3O1)C2 ZINC001169094889 811366046 /nfs/dbraw/zinc/36/60/46/811366046.db2.gz MXPQBGYYFWRMFH-FZKCQIBNSA-N 2 1 272.392 2.205 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccccc3NC1=O)C2 ZINC001169099531 811368078 /nfs/dbraw/zinc/36/80/78/811368078.db2.gz APJXBIMKQYQRGG-IVSAIRAKSA-N 2 1 299.418 2.155 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccccc3NC1=O)C2 ZINC001169099531 811368085 /nfs/dbraw/zinc/36/80/85/811368085.db2.gz APJXBIMKQYQRGG-IVSAIRAKSA-N 2 1 299.418 2.155 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(C(N)=[NH2+])c1ccccc1)C2 ZINC001169098108 811368322 /nfs/dbraw/zinc/36/83/22/811368322.db2.gz FZYKLJJHTXKNCD-BTTYYORXSA-N 2 1 258.369 2.012 20 0 CEADMP CCCCC(=O)[C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099595 811370039 /nfs/dbraw/zinc/37/00/39/811370039.db2.gz CFPIFDCXAYJYNE-XDQVBPFNSA-N 2 1 252.402 2.349 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)C2 ZINC001169098194 811371095 /nfs/dbraw/zinc/37/10/95/811371095.db2.gz GQWXKTLDCUMHQE-SYQHCUMBSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccccc3[C@@H]1O)C2 ZINC001169099678 811371410 /nfs/dbraw/zinc/37/14/10/811371410.db2.gz DURQDTKBNWDJFO-CRCOGDFISA-N 2 1 286.419 2.250 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1ncc3c1cccc3C[NH3+])C2 ZINC001169102148 811372388 /nfs/dbraw/zinc/37/23/88/811372388.db2.gz XSWUZAPEBOWLTR-BTTYYORXSA-N 2 1 270.380 2.293 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](CCO)Cc1ccccc1)C2 ZINC001169124354 811391930 /nfs/dbraw/zinc/39/19/30/811391930.db2.gz QCONSIYMJRHWPA-BJWYYQGGSA-N 2 1 274.408 2.106 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](CCO)Cc1ccccc1)C2 ZINC001169124354 811391940 /nfs/dbraw/zinc/39/19/40/811391940.db2.gz QCONSIYMJRHWPA-BJWYYQGGSA-N 2 1 274.408 2.106 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](CCO)Cc1ccccc1)C2 ZINC001169124354 811391951 /nfs/dbraw/zinc/39/19/51/811391951.db2.gz QCONSIYMJRHWPA-BJWYYQGGSA-N 2 1 274.408 2.106 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCOC3)CC1)C2 ZINC001169126708 811395769 /nfs/dbraw/zinc/39/57/69/811395769.db2.gz WXDJLXPZNRRIIE-FICVDOATSA-N 2 1 264.413 2.114 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCOC3)CC1)C2 ZINC001169126708 811395771 /nfs/dbraw/zinc/39/57/71/811395771.db2.gz WXDJLXPZNRRIIE-FICVDOATSA-N 2 1 264.413 2.114 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@@H](C[NH3+])c3ccccc31)C2 ZINC001169108993 811403039 /nfs/dbraw/zinc/40/30/39/811403039.db2.gz XSEYRHMQAWQVMA-KBXIAJHMSA-N 2 1 271.408 2.174 20 0 CEADMP CN(C)c1nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc[nH+]1 ZINC001169140996 811405677 /nfs/dbraw/zinc/40/56/77/811405677.db2.gz IFGYHTCRYWLSGY-WBMJQRKESA-N 2 1 291.443 2.498 20 0 CEADMP CCCO[C@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169141406 811407755 /nfs/dbraw/zinc/40/77/55/811407755.db2.gz QHPOYEZAMIMZFJ-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP CCCO[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169141406 811407760 /nfs/dbraw/zinc/40/77/60/811407760.db2.gz QHPOYEZAMIMZFJ-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP CCCO[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169141406 811407765 /nfs/dbraw/zinc/40/77/65/811407765.db2.gz QHPOYEZAMIMZFJ-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](c3ccccn3)C1)C2 ZINC001169142767 811408990 /nfs/dbraw/zinc/40/89/90/811408990.db2.gz VKIOTVMPNZHCDU-JONQDZQNSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H](c3ccccn3)C1)C2 ZINC001169142767 811408993 /nfs/dbraw/zinc/40/89/93/811408993.db2.gz VKIOTVMPNZHCDU-JONQDZQNSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H](c3ccccn3)C1)C2 ZINC001169142767 811408999 /nfs/dbraw/zinc/40/89/99/811408999.db2.gz VKIOTVMPNZHCDU-JONQDZQNSA-N 2 1 271.408 2.496 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]3(C1)CCCOC3)C2 ZINC001169146410 811410314 /nfs/dbraw/zinc/41/03/14/811410314.db2.gz PFTOZKKDAYINIV-FXUDXRNXSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(C1)CCCOC3)C2 ZINC001169146410 811410320 /nfs/dbraw/zinc/41/03/20/811410320.db2.gz PFTOZKKDAYINIV-FXUDXRNXSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(C1)CCCOC3)C2 ZINC001169146410 811410325 /nfs/dbraw/zinc/41/03/25/811410325.db2.gz PFTOZKKDAYINIV-FXUDXRNXSA-N 2 1 264.413 2.114 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@]3(C1)CCCOC3)C2 ZINC001169146411 811411497 /nfs/dbraw/zinc/41/14/97/811411497.db2.gz PFTOZKKDAYINIV-FZKCQIBNSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@]3(C1)CCCOC3)C2 ZINC001169146411 811411505 /nfs/dbraw/zinc/41/15/05/811411505.db2.gz PFTOZKKDAYINIV-FZKCQIBNSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@]3(C1)CCCOC3)C2 ZINC001169146411 811411511 /nfs/dbraw/zinc/41/15/11/811411511.db2.gz PFTOZKKDAYINIV-FZKCQIBNSA-N 2 1 264.413 2.114 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2cc3c(cc2C)OCCO3)CC1 ZINC001169219732 811433456 /nfs/dbraw/zinc/43/34/56/811433456.db2.gz IRLQTDIIXBBWIQ-UHFFFAOYSA-N 2 1 290.407 2.340 20 0 CEADMP CCN1CCC([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240456 811458034 /nfs/dbraw/zinc/45/80/34/811458034.db2.gz IXGYWNKFRJVYOH-SHTZXODSSA-N 2 1 267.461 2.451 20 0 CEADMP CC[NH+]1CCC([N@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240456 811458039 /nfs/dbraw/zinc/45/80/39/811458039.db2.gz IXGYWNKFRJVYOH-SHTZXODSSA-N 3 1 267.461 2.451 20 0 CEADMP CC[NH+]1CCC([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240456 811458043 /nfs/dbraw/zinc/45/80/43/811458043.db2.gz IXGYWNKFRJVYOH-SHTZXODSSA-N 3 1 267.461 2.451 20 0 CEADMP CC(C)CC[NH+]1CC(N(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001044333619 811471180 /nfs/dbraw/zinc/47/11/80/811471180.db2.gz XUWGVNJNDIZQCU-GASCZTMLSA-N 2 1 295.471 2.048 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001169486768 811549946 /nfs/dbraw/zinc/54/99/46/811549946.db2.gz LNFWXIFQHLDHGI-AWEZNQCLSA-N 2 1 295.471 2.192 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001169486768 811549952 /nfs/dbraw/zinc/54/99/52/811549952.db2.gz LNFWXIFQHLDHGI-AWEZNQCLSA-N 2 1 295.471 2.192 20 0 CEADMP CC(=O)N1CC[C@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169520549 811550828 /nfs/dbraw/zinc/55/08/28/811550828.db2.gz KMGQIEWAIUSUHT-JYJNAYRXSA-N 2 1 295.471 2.225 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2ccc3ccccc3n2)CC[C@H]1F ZINC001206165882 815460067 /nfs/dbraw/zinc/46/00/67/815460067.db2.gz PQLTUOKUACBEMS-CABCVRRESA-N 2 1 273.355 2.496 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3ccccc3n2)CC[C@H]1F ZINC001206165882 815460071 /nfs/dbraw/zinc/46/00/71/815460071.db2.gz PQLTUOKUACBEMS-CABCVRRESA-N 2 1 273.355 2.496 20 0 CEADMP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169797209 811664970 /nfs/dbraw/zinc/66/49/70/811664970.db2.gz BTDGIEKWMRTQPD-GOEBONIOSA-N 2 1 295.471 2.145 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)o2)CC[C@H]1F ZINC001206166177 815463265 /nfs/dbraw/zinc/46/32/65/815463265.db2.gz RGMFMLNSEVVFHE-ZIAGYGMSSA-N 2 1 281.375 2.141 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)o2)CC[C@H]1F ZINC001206166177 815463268 /nfs/dbraw/zinc/46/32/68/815463268.db2.gz RGMFMLNSEVVFHE-ZIAGYGMSSA-N 2 1 281.375 2.141 20 0 CEADMP CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046317137 811736100 /nfs/dbraw/zinc/73/61/00/811736100.db2.gz SGGWWTIECUSIAG-NVXWUHKLSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046317137 811736108 /nfs/dbraw/zinc/73/61/08/811736108.db2.gz SGGWWTIECUSIAG-NVXWUHKLSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001046317137 811736114 /nfs/dbraw/zinc/73/61/14/811736114.db2.gz SGGWWTIECUSIAG-NVXWUHKLSA-N 2 1 295.471 2.240 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C(C)C)C[C@@H]2C)C1 ZINC001172612064 815473237 /nfs/dbraw/zinc/47/32/37/815473237.db2.gz RBEBUQOVQSBHCC-FZKCQIBNSA-N 2 1 296.455 2.427 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)CCO1 ZINC001204090849 815476739 /nfs/dbraw/zinc/47/67/39/815476739.db2.gz YJVDCJUZADTDIT-QCODTGAPSA-N 2 1 266.429 2.120 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2N)CCC[C@H]1C[NH3+] ZINC001206027847 811884480 /nfs/dbraw/zinc/88/44/80/811884480.db2.gz WXRMMLUWTJRSGL-NEPJUHHUSA-N 2 1 265.376 2.215 20 0 CEADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688288 811927241 /nfs/dbraw/zinc/92/72/41/811927241.db2.gz HAYKPRQYCBEKRC-FXUDXRNXSA-N 2 1 295.471 2.094 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2ccc3cccc(O)c3n2)CC[C@H]1F ZINC001206174764 815492376 /nfs/dbraw/zinc/49/23/76/815492376.db2.gz PHTNNEYAJQXYFO-KGLIPLIRSA-N 2 1 289.354 2.202 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3cccc(O)c3n2)CC[C@H]1F ZINC001206174764 815492379 /nfs/dbraw/zinc/49/23/79/815492379.db2.gz PHTNNEYAJQXYFO-KGLIPLIRSA-N 2 1 289.354 2.202 20 0 CEADMP Cc1nc2cc(C)ccn2c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206173113 815489600 /nfs/dbraw/zinc/48/96/00/815489600.db2.gz FBGQFFQIKBNQPJ-UONOGXRCSA-N 2 1 290.386 2.212 20 0 CEADMP Cc1nc2cc(C)ccn2c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206173113 815489605 /nfs/dbraw/zinc/48/96/05/815489605.db2.gz FBGQFFQIKBNQPJ-UONOGXRCSA-N 2 1 290.386 2.212 20 0 CEADMP CC(C)CCC[C@H](C)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001170091653 812130203 /nfs/dbraw/zinc/13/02/03/812130203.db2.gz WDURHUUOMKIDJB-HNNXBMFYSA-N 2 1 267.461 2.133 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cnc1F ZINC001206036703 812155655 /nfs/dbraw/zinc/15/56/55/812155655.db2.gz OLCBNCVTCXVINI-WCQYABFASA-N 2 1 281.375 2.036 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001172767976 815513145 /nfs/dbraw/zinc/51/31/45/815513145.db2.gz NFYSJVLLIYNWAN-KFWWJZLASA-N 2 1 282.428 2.040 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC001172778023 815518501 /nfs/dbraw/zinc/51/85/01/815518501.db2.gz DTYRUIWXFBHCTE-XGUBFFRZSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC001172778023 815518503 /nfs/dbraw/zinc/51/85/03/815518503.db2.gz DTYRUIWXFBHCTE-XGUBFFRZSA-N 2 1 282.428 2.038 20 0 CEADMP CC[C@@H]1C[C@@H]([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)CCO1 ZINC001170215336 812339536 /nfs/dbraw/zinc/33/95/36/812339536.db2.gz BBZWSBXXUHVSSQ-UONOGXRCSA-N 2 1 295.427 2.074 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001170223894 812357918 /nfs/dbraw/zinc/35/79/18/812357918.db2.gz XSJJOGWQFBYPLV-UHFFFAOYSA-N 2 1 285.476 2.250 20 0 CEADMP COc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)CC2)c1F ZINC001254507470 812426280 /nfs/dbraw/zinc/42/62/80/812426280.db2.gz BYMMKNGTXKIWEY-CYBMUJFWSA-N 2 1 266.360 2.408 20 0 CEADMP COc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1F ZINC001254507470 812426289 /nfs/dbraw/zinc/42/62/89/812426289.db2.gz BYMMKNGTXKIWEY-CYBMUJFWSA-N 2 1 266.360 2.408 20 0 CEADMP Cc1nc([C@H]2CCCN([C@@H]3CCC[N@H+](C)CC3)C2)no1 ZINC001254515900 812436485 /nfs/dbraw/zinc/43/64/85/812436485.db2.gz GFZQPFMAHWZRQX-UONOGXRCSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc([C@H]2CCC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)no1 ZINC001254515900 812436490 /nfs/dbraw/zinc/43/64/90/812436490.db2.gz GFZQPFMAHWZRQX-UONOGXRCSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc([C@H]2CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)no1 ZINC001254515900 812436495 /nfs/dbraw/zinc/43/64/95/812436495.db2.gz GFZQPFMAHWZRQX-UONOGXRCSA-N 2 1 278.400 2.042 20 0 CEADMP CCOC(=O)[C@H]1CCCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254529537 812443049 /nfs/dbraw/zinc/44/30/49/812443049.db2.gz NJMINUFDHVIXJH-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@H]1CCCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254529537 812443051 /nfs/dbraw/zinc/44/30/51/812443051.db2.gz NJMINUFDHVIXJH-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@H]1CCCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254529537 812443057 /nfs/dbraw/zinc/44/30/57/812443057.db2.gz NJMINUFDHVIXJH-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP CC[C@H](C)C[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129422343 812493260 /nfs/dbraw/zinc/49/32/60/812493260.db2.gz HNFJWMUIUTUGQE-LSDHHAIUSA-N 2 1 283.460 2.001 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC1CC(C)(C)C1 ZINC001129839537 812515403 /nfs/dbraw/zinc/51/54/03/812515403.db2.gz BFOAJSXCZHZOCC-OAHLLOKOSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054154943 812544907 /nfs/dbraw/zinc/54/49/07/812544907.db2.gz YXEWFGKHQCWMID-WBVHZDCISA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1ccccc1 ZINC001130421645 812566326 /nfs/dbraw/zinc/56/63/26/812566326.db2.gz DIPLHBXJHKWUGA-AWEZNQCLSA-N 2 1 291.439 2.184 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170525110 812622478 /nfs/dbraw/zinc/62/24/78/812622478.db2.gz FZJAUVNFCBQVDY-KLHDSHLOSA-N 2 1 294.439 2.310 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001172922759 815546591 /nfs/dbraw/zinc/54/65/91/815546591.db2.gz HKLGBOKQAFPFSR-UXXRCYHCSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H](Nc1cc(C(C)(C)C)cc[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001170575132 812697571 /nfs/dbraw/zinc/69/75/71/812697571.db2.gz OHZSQUHHIMSRRB-WCQYABFASA-N 2 1 263.385 2.168 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)C1 ZINC001172927320 815548932 /nfs/dbraw/zinc/54/89/32/815548932.db2.gz FSQVQPYLSIUZIG-JKSUJKDBSA-N 2 1 289.423 2.289 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)C1 ZINC001172927319 815548975 /nfs/dbraw/zinc/54/89/75/815548975.db2.gz FSQVQPYLSIUZIG-HZPDHXFCSA-N 2 1 289.423 2.289 20 0 CEADMP CO[C@H]1CCC[C@H]([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)C1 ZINC001172935176 815552072 /nfs/dbraw/zinc/55/20/72/815552072.db2.gz KKKDICNOHPPBBE-KBPBESRZSA-N 2 1 295.427 2.074 20 0 CEADMP CO[C@H]1CCC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC001172934396 815552223 /nfs/dbraw/zinc/55/22/23/815552223.db2.gz AVTUIIPYHYUMNJ-GJZGRUSLSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)C1 ZINC001172935193 815552338 /nfs/dbraw/zinc/55/23/38/815552338.db2.gz KKKDICNOHPPBBE-ZIAGYGMSSA-N 2 1 295.427 2.074 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132105395 812788795 /nfs/dbraw/zinc/78/87/95/812788795.db2.gz GRRRCFAALNQRKG-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132110205 812790623 /nfs/dbraw/zinc/79/06/23/812790623.db2.gz FJDFHEJKUNPYDA-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132110205 812790629 /nfs/dbraw/zinc/79/06/29/812790629.db2.gz FJDFHEJKUNPYDA-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132110205 812790636 /nfs/dbraw/zinc/79/06/36/812790636.db2.gz FJDFHEJKUNPYDA-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132247973 812807354 /nfs/dbraw/zinc/80/73/54/812807354.db2.gz AMPVJKFPHXMHHY-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277090 812818216 /nfs/dbraw/zinc/81/82/16/812818216.db2.gz ARMPTYCJOHEJCX-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP Cc1cc(F)cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206182683 815555785 /nfs/dbraw/zinc/55/57/85/815555785.db2.gz DACLAHBHVWSFFO-KBPBESRZSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1cc(F)cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206182683 815555787 /nfs/dbraw/zinc/55/57/87/815555787.db2.gz DACLAHBHVWSFFO-KBPBESRZSA-N 2 1 254.324 2.395 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132432579 812847777 /nfs/dbraw/zinc/84/77/77/812847777.db2.gz DWWCKKVZLNZAFK-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCC2)C1 ZINC001132441064 812855367 /nfs/dbraw/zinc/85/53/67/812855367.db2.gz KAWMRIMPSQFWRH-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132441064 812855374 /nfs/dbraw/zinc/85/53/74/812855374.db2.gz KAWMRIMPSQFWRH-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCC2)C1 ZINC001132441064 812855383 /nfs/dbraw/zinc/85/53/83/812855383.db2.gz KAWMRIMPSQFWRH-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132518900 812870521 /nfs/dbraw/zinc/87/05/21/812870521.db2.gz PYZIYRDHCWBKBE-CVEARBPZSA-N 2 1 297.487 2.342 20 0 CEADMP CC(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132518900 812870532 /nfs/dbraw/zinc/87/05/32/812870532.db2.gz PYZIYRDHCWBKBE-CVEARBPZSA-N 2 1 297.487 2.342 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132739445 812935606 /nfs/dbraw/zinc/93/56/06/812935606.db2.gz QMHUHWMZKUKZQO-MRXNPFEDSA-N 2 1 297.487 2.395 20 0 CEADMP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001086694396 812945869 /nfs/dbraw/zinc/94/58/69/812945869.db2.gz PXRZFTTUWJYAHF-ARFHVFGLSA-N 2 1 295.471 2.142 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C(C)C)CC1 ZINC001052425721 812990644 /nfs/dbraw/zinc/99/06/44/812990644.db2.gz BQXVYDJMAVAMDS-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC001052425721 812990649 /nfs/dbraw/zinc/99/06/49/812990649.db2.gz BQXVYDJMAVAMDS-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C(C)C)CC1 ZINC001052425721 812990656 /nfs/dbraw/zinc/99/06/56/812990656.db2.gz BQXVYDJMAVAMDS-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCC2CCCCC2)C1 ZINC001133845440 813165112 /nfs/dbraw/zinc/16/51/12/813165112.db2.gz GCDCVPHVQPFHQW-HNNXBMFYSA-N 2 1 295.471 2.004 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCc2ncsc2C1 ZINC001173136677 815596245 /nfs/dbraw/zinc/59/62/45/815596245.db2.gz HCMITEOQBWAIQD-ZDUSSCGKSA-N 2 1 279.453 2.274 20 0 CEADMP CC[NH+]1CCC([NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000387359690 813206585 /nfs/dbraw/zinc/20/65/85/813206585.db2.gz JZTRPGGTOZZGET-AWEZNQCLSA-N 2 1 284.350 2.072 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(NC(=O)CC[C@@H]2CCC[NH2+]2)cn1 ZINC000389714497 813254448 /nfs/dbraw/zinc/25/44/48/813254448.db2.gz NIDPWZIWGUEOCL-ZDUSSCGKSA-N 2 1 299.378 2.046 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170752168 813277027 /nfs/dbraw/zinc/27/70/27/813277027.db2.gz XXMFCRBIKPOLAY-LSDHHAIUSA-N 2 1 283.460 2.144 20 0 CEADMP CC(C)CC[NH2+]CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001134726364 813316094 /nfs/dbraw/zinc/31/60/94/813316094.db2.gz TYUUGMGFRQSIIY-UHFFFAOYSA-N 2 1 294.443 2.149 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CC1 ZINC001134774404 813323295 /nfs/dbraw/zinc/32/32/95/813323295.db2.gz YDBOVDFKJMWKHW-KBPBESRZSA-N 2 1 297.487 2.390 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135103168 813366624 /nfs/dbraw/zinc/36/66/24/813366624.db2.gz XHVQWQJKHMTIFF-CVEARBPZSA-N 2 1 295.471 2.145 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135102929 813367011 /nfs/dbraw/zinc/36/70/11/813367011.db2.gz QRIGOEIBHIOVRJ-CVEARBPZSA-N 2 1 295.471 2.145 20 0 CEADMP CC/C=C/CC[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135306831 813403583 /nfs/dbraw/zinc/40/35/83/813403583.db2.gz BKSRAEGGBMKSSV-SNAWJCMRSA-N 2 1 292.427 2.034 20 0 CEADMP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000395014919 813473866 /nfs/dbraw/zinc/47/38/66/813473866.db2.gz KTCXWGYDYIWYGS-HZSPNIEDSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000395014919 813473868 /nfs/dbraw/zinc/47/38/68/813473868.db2.gz KTCXWGYDYIWYGS-HZSPNIEDSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000396354039 813565309 /nfs/dbraw/zinc/56/53/09/813565309.db2.gz ZVCINTOIFGROPM-UKRRQHHQSA-N 2 1 297.393 2.175 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000396689749 813580209 /nfs/dbraw/zinc/58/02/09/813580209.db2.gz BQILEKXQMXKXOE-KGLIPLIRSA-N 2 1 272.396 2.157 20 0 CEADMP C1CCC([N@H+]2CCC[C@H](N[C@@H]3CCCC[NH2+]C3)C2)C1 ZINC001246090660 813679044 /nfs/dbraw/zinc/67/90/44/813679044.db2.gz LOTBRDXMRHWMKA-CABCVRRESA-N 2 1 265.445 2.125 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246097953 813686750 /nfs/dbraw/zinc/68/67/50/813686750.db2.gz QBGWTXLKHXYYRJ-LJISPDSOSA-N 3 1 253.434 2.027 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001246109615 813701785 /nfs/dbraw/zinc/70/17/85/813701785.db2.gz KIEMWCXEAIJRHI-UONOGXRCSA-N 3 1 267.461 2.227 20 0 CEADMP C([NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC001246198606 813728404 /nfs/dbraw/zinc/72/84/04/813728404.db2.gz QMRDRDTWDLRVGJ-LSDHHAIUSA-N 3 1 265.445 2.031 20 0 CEADMP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246443391 813819965 /nfs/dbraw/zinc/81/99/65/813819965.db2.gz YBTRLEBJIRAWAC-KBPBESRZSA-N 2 1 261.413 2.398 20 0 CEADMP CCC[C@@]1(C[NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1 ZINC001246458281 813836101 /nfs/dbraw/zinc/83/61/01/813836101.db2.gz XWWRGPMVGSIWSO-OAGGEKHMSA-N 2 1 265.445 2.031 20 0 CEADMP c1nc2ccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2[nH]1 ZINC001137041136 813850718 /nfs/dbraw/zinc/85/07/18/813850718.db2.gz NLAPOLVFTIYGAH-UHFFFAOYSA-N 2 1 293.374 2.280 20 0 CEADMP CC[C@H]1COCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255681224 813925989 /nfs/dbraw/zinc/92/59/89/813925989.db2.gz PMWZYFKNQLRINF-RDGKXADDSA-N 2 1 252.402 2.113 20 0 CEADMP CC[C@H]1COCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255681224 813925992 /nfs/dbraw/zinc/92/59/92/813925992.db2.gz PMWZYFKNQLRINF-RDGKXADDSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@H]1CC[NH2+]CC[N@@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001246548705 813996980 /nfs/dbraw/zinc/99/69/80/813996980.db2.gz GBYIDGKTUSYRRR-JSGCOSHPSA-N 2 1 262.372 2.367 20 0 CEADMP C[C@H]1CC[NH2+]CC[N@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001246548705 813996985 /nfs/dbraw/zinc/99/69/85/813996985.db2.gz GBYIDGKTUSYRRR-JSGCOSHPSA-N 2 1 262.372 2.367 20 0 CEADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310634 813998203 /nfs/dbraw/zinc/99/82/03/813998203.db2.gz RQFJHGHITCMBQI-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H](Cc1ccncc1)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246552850 814016588 /nfs/dbraw/zinc/01/65/88/814016588.db2.gz WAKRFVMQFWFPAZ-DZGCQCFKSA-N 2 1 265.376 2.166 20 0 CEADMP C[C@@H]1CC[N@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC[C@@H]1C[NH3+] ZINC001246556997 814033283 /nfs/dbraw/zinc/03/32/83/814033283.db2.gz JDBVWAVRFLCEMD-ZSAUSMIDSA-N 2 1 264.413 2.051 20 0 CEADMP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)CCO1 ZINC001246557829 814035653 /nfs/dbraw/zinc/03/56/53/814035653.db2.gz LOIUCLLNCQXJNS-BYNSBNAKSA-N 2 1 254.418 2.251 20 0 CEADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246561838 814049080 /nfs/dbraw/zinc/04/90/80/814049080.db2.gz GPUBFWWPWKGFOL-DGXTUMSLSA-N 3 1 267.461 2.355 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C[NH3+])[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246561838 814049091 /nfs/dbraw/zinc/04/90/91/814049091.db2.gz GPUBFWWPWKGFOL-DGXTUMSLSA-N 3 1 267.461 2.355 20 0 CEADMP CC[C@@H]1CC([N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246561851 814049122 /nfs/dbraw/zinc/04/91/22/814049122.db2.gz GPUBFWWPWKGFOL-KBUPBQIOSA-N 3 1 267.461 2.355 20 0 CEADMP CC[C@@H]1CC([N@H+]2CCC[C@H](C[NH3+])[C@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246561851 814049129 /nfs/dbraw/zinc/04/91/29/814049129.db2.gz GPUBFWWPWKGFOL-KBUPBQIOSA-N 3 1 267.461 2.355 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100185657 814070545 /nfs/dbraw/zinc/07/05/45/814070545.db2.gz JNHIOBNBRARUGW-NRXISQOPSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CCC[C@@H]1C[NH3+] ZINC001246570824 814089805 /nfs/dbraw/zinc/08/98/05/814089805.db2.gz WAKOBDIAIFEXBF-ZSAUSMIDSA-N 2 1 264.413 2.051 20 0 CEADMP C[N@H+](C1CC1)[C@H]1CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144625502 814127858 /nfs/dbraw/zinc/12/78/58/814127858.db2.gz NOFODZHJHIZAKC-AWEZNQCLSA-N 2 1 270.380 2.003 20 0 CEADMP C[N@@H+](C1CC1)[C@H]1CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144625502 814127863 /nfs/dbraw/zinc/12/78/63/814127863.db2.gz NOFODZHJHIZAKC-AWEZNQCLSA-N 2 1 270.380 2.003 20 0 CEADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC001246579358 814140309 /nfs/dbraw/zinc/14/03/09/814140309.db2.gz DRJJZZONCIPGGY-GJZGRUSLSA-N 2 1 282.428 2.123 20 0 CEADMP C1CC2(C[C@@H]1[N@H+]1CC[C@@]3(C1)CCCC[NH2+]3)CC[NH2+]CC2 ZINC001246618515 814216994 /nfs/dbraw/zinc/21/69/94/814216994.db2.gz GKNCRLOCJBBWOT-NVXWUHKLSA-N 3 1 277.456 2.127 20 0 CEADMP C1CC2(C[C@@H]1N1CC[C@@]3(C1)CCCC[NH2+]3)CC[NH2+]CC2 ZINC001246618515 814217002 /nfs/dbraw/zinc/21/70/02/814217002.db2.gz GKNCRLOCJBBWOT-NVXWUHKLSA-N 2 1 277.456 2.127 20 0 CEADMP C1CC2(C[C@@H]1[N@@H+]1CC[C@@]3(C1)CCCCN3)CC[NH2+]CC2 ZINC001246618515 814217011 /nfs/dbraw/zinc/21/70/11/814217011.db2.gz GKNCRLOCJBBWOT-NVXWUHKLSA-N 2 1 277.456 2.127 20 0 CEADMP C1CC2(C[C@@H]1[N@H+]1CC[C@@]3(C1)CCCCN3)CC[NH2+]CC2 ZINC001246618515 814217016 /nfs/dbraw/zinc/21/70/16/814217016.db2.gz GKNCRLOCJBBWOT-NVXWUHKLSA-N 2 1 277.456 2.127 20 0 CEADMP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146332735 814275268 /nfs/dbraw/zinc/27/52/68/814275268.db2.gz JSFQGWYNLMVUIN-UONOGXRCSA-N 2 1 292.427 2.031 20 0 CEADMP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146592357 814298834 /nfs/dbraw/zinc/29/88/34/814298834.db2.gz KGZPXDLDCUTZNH-HUUCEWRRSA-N 2 1 283.460 2.166 20 0 CEADMP CC(C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377301 814383661 /nfs/dbraw/zinc/38/36/61/814383661.db2.gz YKVGTBOHRCDKKR-HUUCEWRRSA-N 2 1 297.487 2.057 20 0 CEADMP CC(C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377301 814383669 /nfs/dbraw/zinc/38/36/69/814383669.db2.gz YKVGTBOHRCDKKR-HUUCEWRRSA-N 2 1 297.487 2.057 20 0 CEADMP CC(C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377301 814383678 /nfs/dbraw/zinc/38/36/78/814383678.db2.gz YKVGTBOHRCDKKR-HUUCEWRRSA-N 2 1 297.487 2.057 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH2+]CC(C)C)c1ccccc1 ZINC001147466428 814446431 /nfs/dbraw/zinc/44/64/31/814446431.db2.gz LLNCOTQCRJCZON-INIZCTEOSA-N 2 1 291.439 2.041 20 0 CEADMP CC(C)COCC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246942531 814453119 /nfs/dbraw/zinc/45/31/19/814453119.db2.gz QOWMTLHGKWUGQK-OAGGEKHMSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@H]1[C@H](N)CCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246939839 814453844 /nfs/dbraw/zinc/45/38/44/814453844.db2.gz SMWNTPBAHUCRSW-DZGCQCFKSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@H]1[C@H]([NH3+])CCCN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246939839 814453848 /nfs/dbraw/zinc/45/38/48/814453848.db2.gz SMWNTPBAHUCRSW-DZGCQCFKSA-N 2 1 265.445 2.110 20 0 CEADMP COc1cccc2c1C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)CO2 ZINC001173149873 815607659 /nfs/dbraw/zinc/60/76/59/815607659.db2.gz XPWOYHRVUXIYMJ-UONOGXRCSA-N 2 1 290.407 2.073 20 0 CEADMP CCCCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161060769 814497450 /nfs/dbraw/zinc/49/74/50/814497450.db2.gz CVMCVWHRAKZYFV-LSDHHAIUSA-N 2 1 283.460 2.227 20 0 CEADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC)C[C@H]1C)[NH+](CC)CC ZINC001103426525 814501560 /nfs/dbraw/zinc/50/15/60/814501560.db2.gz ARMZIKSPNBNQMF-BZUAXINKSA-N 2 1 297.487 2.201 20 0 CEADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCC2CCCCC2)C1 ZINC001147886469 814505843 /nfs/dbraw/zinc/50/58/43/814505843.db2.gz WZXOCCXXDYIEKI-INIZCTEOSA-N 2 1 295.471 2.004 20 0 CEADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CCCC2CCCC2)C1 ZINC001147884215 814509266 /nfs/dbraw/zinc/50/92/66/814509266.db2.gz BPJJHPGKEHICHU-MRXNPFEDSA-N 2 1 295.471 2.004 20 0 CEADMP Cc1ccncc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693678492 814627872 /nfs/dbraw/zinc/62/78/72/814627872.db2.gz DKRCZHLPAIEGQU-QLFBSQMISA-N 2 1 259.397 2.256 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)[C@@H](CC)CO1 ZINC000697035795 814645021 /nfs/dbraw/zinc/64/50/21/814645021.db2.gz WDPYKXGHSNMOQG-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)[C@@H](CC)CO1 ZINC000697035795 814645024 /nfs/dbraw/zinc/64/50/24/814645024.db2.gz WDPYKXGHSNMOQG-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCS1 ZINC000699213550 814663782 /nfs/dbraw/zinc/66/37/82/814663782.db2.gz ZHTMKKORRADUOK-RLAWYHOSSA-N 2 1 254.443 2.344 20 0 CEADMP CCCOC(=O)C[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173109401 815582390 /nfs/dbraw/zinc/58/23/90/815582390.db2.gz DUXPWPTUEGQWBS-UHFFFAOYSA-N 2 1 270.417 2.182 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171391442 814840261 /nfs/dbraw/zinc/84/02/61/814840261.db2.gz DBMXEOGRDRAIPG-AWEZNQCLSA-N 2 1 262.372 2.367 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC001116293813 814845109 /nfs/dbraw/zinc/84/51/09/814845109.db2.gz YQYNVKYVRRANAL-CABCVRRESA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CCC[C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC001116293813 814845113 /nfs/dbraw/zinc/84/51/13/814845113.db2.gz YQYNVKYVRRANAL-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CCC(C)(C)CO1 ZINC000713596741 814865648 /nfs/dbraw/zinc/86/56/48/814865648.db2.gz NGGXDFCGTOKJTM-KGLIPLIRSA-N 2 1 256.434 2.497 20 0 CEADMP CC[NH+](CC)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001116742528 814878433 /nfs/dbraw/zinc/87/84/33/814878433.db2.gz VJKOOEYRTRNCTA-HNNXBMFYSA-N 2 1 254.418 2.362 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000714753474 814914434 /nfs/dbraw/zinc/91/44/34/814914434.db2.gz AKMLUOGUYRSTSE-UHFFFAOYSA-N 2 1 278.396 2.407 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000714998360 814920890 /nfs/dbraw/zinc/92/08/90/814920890.db2.gz GGKRAFYWHZIAAB-ZBFHGGJFSA-N 2 1 260.381 2.269 20 0 CEADMP Cc1ccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000714993785 814921390 /nfs/dbraw/zinc/92/13/90/814921390.db2.gz FDTLELJDLJHWLK-NVXWUHKLSA-N 2 1 274.408 2.448 20 0 CEADMP CC[C@H]1CC[C@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)C1 ZINC001173267431 815645389 /nfs/dbraw/zinc/64/53/89/815645389.db2.gz LJNKHBMKKHIQLU-GJZGRUSLSA-N 3 1 255.450 2.168 20 0 CEADMP CC[C@H]1CC[C@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)C1 ZINC001173267431 815645391 /nfs/dbraw/zinc/64/53/91/815645391.db2.gz LJNKHBMKKHIQLU-GJZGRUSLSA-N 3 1 255.450 2.168 20 0 CEADMP CC[C@H]1CC[C@H]([N@@H+](CCC[NH+](C)C)CCC(=O)OC)C1 ZINC001173282388 815668095 /nfs/dbraw/zinc/66/80/95/815668095.db2.gz XUJAWETVSZZXOG-GJZGRUSLSA-N 2 1 284.444 2.382 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C(N)=[NH2+])c2ccc(Cl)cc2)C1 ZINC001173353429 815687320 /nfs/dbraw/zinc/68/73/20/815687320.db2.gz CSLNFQNZAOOXJV-GFCCVEGCSA-N 2 1 266.776 2.134 20 0 CEADMP CC[N@H+]1CC[C@H](n2cncc2-c2ccc(C[NH3+])cc2)C1 ZINC001173356967 815697401 /nfs/dbraw/zinc/69/74/01/815697401.db2.gz HVDUXVUTUWTTFF-HNNXBMFYSA-N 2 1 270.380 2.276 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001173358366 815699266 /nfs/dbraw/zinc/69/92/66/815699266.db2.gz DYUYLHLGOTZZST-ZWKOTPCHSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001173358366 815699270 /nfs/dbraw/zinc/69/92/70/815699270.db2.gz DYUYLHLGOTZZST-ZWKOTPCHSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001173358366 815699274 /nfs/dbraw/zinc/69/92/74/815699274.db2.gz DYUYLHLGOTZZST-ZWKOTPCHSA-N 2 1 287.451 2.287 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001173361402 815700688 /nfs/dbraw/zinc/70/06/88/815700688.db2.gz CFBOZXANEBZRMT-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CC[C@@H](N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001173361402 815700692 /nfs/dbraw/zinc/70/06/92/815700692.db2.gz CFBOZXANEBZRMT-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CC[C@@H](N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001173361402 815700694 /nfs/dbraw/zinc/70/06/94/815700694.db2.gz CFBOZXANEBZRMT-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP CC[N@@H+]1CC[C@H](N2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC001173363496 815703423 /nfs/dbraw/zinc/70/34/23/815703423.db2.gz OJBCEAZAJFDDJO-DLBZAZTESA-N 2 1 273.424 2.069 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC001173363496 815703426 /nfs/dbraw/zinc/70/34/26/815703426.db2.gz OJBCEAZAJFDDJO-DLBZAZTESA-N 2 1 273.424 2.069 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC001173363496 815703430 /nfs/dbraw/zinc/70/34/30/815703430.db2.gz OJBCEAZAJFDDJO-DLBZAZTESA-N 2 1 273.424 2.069 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC001173363496 815703433 /nfs/dbraw/zinc/70/34/33/815703433.db2.gz OJBCEAZAJFDDJO-DLBZAZTESA-N 2 1 273.424 2.069 20 0 CEADMP CC[N@H+]1CC[C@H](N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001173364689 815703484 /nfs/dbraw/zinc/70/34/84/815703484.db2.gz XYTPXRCLTQGZEQ-SFHVURJKSA-N 2 1 287.451 2.289 20 0 CEADMP CC[NH+]1CC[C@H](N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001173364689 815703488 /nfs/dbraw/zinc/70/34/88/815703488.db2.gz XYTPXRCLTQGZEQ-SFHVURJKSA-N 2 1 287.451 2.289 20 0 CEADMP CC[NH+]1CC[C@H](N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001173364689 815703490 /nfs/dbraw/zinc/70/34/90/815703490.db2.gz XYTPXRCLTQGZEQ-SFHVURJKSA-N 2 1 287.451 2.289 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H]2CO)cc1 ZINC001138543975 815822968 /nfs/dbraw/zinc/82/29/68/815822968.db2.gz AJNBQBMTMAJSHH-INIZCTEOSA-N 2 1 271.364 2.137 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H]2CO)cc1 ZINC001138543975 815822976 /nfs/dbraw/zinc/82/29/76/815822976.db2.gz AJNBQBMTMAJSHH-INIZCTEOSA-N 2 1 271.364 2.137 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)cc1 ZINC001138549408 815824511 /nfs/dbraw/zinc/82/45/11/815824511.db2.gz WHZKPKLAVBPETC-DOTOQJQBSA-N 2 1 283.375 2.401 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)cc1 ZINC001138549408 815824517 /nfs/dbraw/zinc/82/45/17/815824517.db2.gz WHZKPKLAVBPETC-DOTOQJQBSA-N 2 1 283.375 2.401 20 0 CEADMP Cc1nccn1-c1ccc(C[N@H+](C)[C@H]2CCOC2)cc1 ZINC001138547304 815825594 /nfs/dbraw/zinc/82/55/94/815825594.db2.gz JQRSJLZWZNUVIQ-INIZCTEOSA-N 2 1 271.364 2.401 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)[C@H]2CCOC2)cc1 ZINC001138547304 815825601 /nfs/dbraw/zinc/82/56/01/815825601.db2.gz JQRSJLZWZNUVIQ-INIZCTEOSA-N 2 1 271.364 2.401 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)[C@H]2CCOC2)cc1 ZINC001138547304 815825607 /nfs/dbraw/zinc/82/56/07/815825607.db2.gz JQRSJLZWZNUVIQ-INIZCTEOSA-N 2 1 271.364 2.401 20 0 CEADMP Cc1nccn1-c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC001138548802 815825760 /nfs/dbraw/zinc/82/57/60/815825760.db2.gz MHBQVOYFQHBIRL-CALCHBBNSA-N 3 1 296.418 2.174 20 0 CEADMP Cc1nccn1-c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC001138548802 815825767 /nfs/dbraw/zinc/82/57/67/815825767.db2.gz MHBQVOYFQHBIRL-CALCHBBNSA-N 3 1 296.418 2.174 20 0 CEADMP Cc1nccn1-c1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC001138548802 815825775 /nfs/dbraw/zinc/82/57/75/815825775.db2.gz MHBQVOYFQHBIRL-CALCHBBNSA-N 3 1 296.418 2.174 20 0 CEADMP Cc1cc(F)ncc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001276395687 815889227 /nfs/dbraw/zinc/88/92/27/815889227.db2.gz VAURDXCAIZJJSZ-UHFFFAOYSA-N 2 1 277.387 2.447 20 0 CEADMP CC[C@@H]1CCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139324482 816003779 /nfs/dbraw/zinc/00/37/79/816003779.db2.gz CKGMDUKYLKTBPJ-CYBMUJFWSA-N 2 1 294.468 2.269 20 0 CEADMP CC[C@@H]1CCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139324482 816003784 /nfs/dbraw/zinc/00/37/84/816003784.db2.gz CKGMDUKYLKTBPJ-CYBMUJFWSA-N 2 1 294.468 2.269 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4ncn(C)c4c3)C[C@@H]2C1 ZINC001140742966 816339295 /nfs/dbraw/zinc/33/92/95/816339295.db2.gz RRBUZTSINVZGKM-HOTGVXAUSA-N 2 1 298.434 2.347 20 0 CEADMP Cn1cnc2ccc(C[N@@H+](C)CC3CC[NH+](C)CC3)cc21 ZINC001140746654 816341544 /nfs/dbraw/zinc/34/15/44/816341544.db2.gz LBQNWUPXOUCLNX-UHFFFAOYSA-N 2 1 286.423 2.347 20 0 CEADMP CC(C)(C)[NH+]1CCN(Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140807145 816370549 /nfs/dbraw/zinc/37/05/49/816370549.db2.gz ODXYASJLWXBCPW-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CC1 ZINC001176268309 816385514 /nfs/dbraw/zinc/38/55/14/816385514.db2.gz IUJKDHWELDMPSA-HNNXBMFYSA-N 2 1 297.487 2.393 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176760387 816474767 /nfs/dbraw/zinc/47/47/67/816474767.db2.gz WKYWBLYAQJDVMA-HUUCEWRRSA-N 2 1 283.460 2.145 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001176803149 816476788 /nfs/dbraw/zinc/47/67/88/816476788.db2.gz CMHNUNCPKPVPFJ-UONOGXRCSA-N 2 1 256.459 2.403 20 0 CEADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cn[nH]c1 ZINC001203096897 816479907 /nfs/dbraw/zinc/47/99/07/816479907.db2.gz NTUFVJVZIUCRAY-LSDHHAIUSA-N 2 1 262.401 2.249 20 0 CEADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cn[nH]c1 ZINC001203096897 816479911 /nfs/dbraw/zinc/47/99/11/816479911.db2.gz NTUFVJVZIUCRAY-LSDHHAIUSA-N 2 1 262.401 2.249 20 0 CEADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cn[nH]c1 ZINC001203096897 816479918 /nfs/dbraw/zinc/47/99/18/816479918.db2.gz NTUFVJVZIUCRAY-LSDHHAIUSA-N 2 1 262.401 2.249 20 0 CEADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cn[nH]c1 ZINC001203096897 816479926 /nfs/dbraw/zinc/47/99/26/816479926.db2.gz NTUFVJVZIUCRAY-LSDHHAIUSA-N 2 1 262.401 2.249 20 0 CEADMP CC/C=C\CC[NH2+]CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001176857743 816491451 /nfs/dbraw/zinc/49/14/51/816491451.db2.gz ZWCOPNSKIAFKCQ-HNXFAEETSA-N 2 1 295.471 2.311 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]CCC(C)(C)C ZINC001176856378 816492128 /nfs/dbraw/zinc/49/21/28/816492128.db2.gz KTZMRHOKAGJGFG-GASCZTMLSA-N 2 1 297.487 2.391 20 0 CEADMP CC(C)C[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001177021385 816507748 /nfs/dbraw/zinc/50/77/48/816507748.db2.gz UNMKSWQZRKEXPX-MRXNPFEDSA-N 2 1 291.439 2.041 20 0 CEADMP C[N@H+]1C[C@]23C[NH+](CCCCCCO)C[C@@]2(C1)CCCC3 ZINC001177007768 816508161 /nfs/dbraw/zinc/50/81/61/816508161.db2.gz CLZOQNZMTHFBOX-CALCHBBNSA-N 2 1 280.456 2.347 20 0 CEADMP C[NH+]1C[C@]23C[N@H+](CCCCCCO)C[C@@]2(C1)CCCC3 ZINC001177007768 816508169 /nfs/dbraw/zinc/50/81/69/816508169.db2.gz CLZOQNZMTHFBOX-CALCHBBNSA-N 2 1 280.456 2.347 20 0 CEADMP C[NH+]1C[C@]23C[N@@H+](CCCCCCO)C[C@@]2(C1)CCCC3 ZINC001177007768 816508175 /nfs/dbraw/zinc/50/81/75/816508175.db2.gz CLZOQNZMTHFBOX-CALCHBBNSA-N 2 1 280.456 2.347 20 0 CEADMP CN(C)c1cccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001141259187 816514605 /nfs/dbraw/zinc/51/46/05/816514605.db2.gz GBUIPIBHWCWPIW-CVEARBPZSA-N 2 1 273.424 2.136 20 0 CEADMP CN(C)c1cccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001141259187 816514610 /nfs/dbraw/zinc/51/46/10/816514610.db2.gz GBUIPIBHWCWPIW-CVEARBPZSA-N 2 1 273.424 2.136 20 0 CEADMP CN(C)c1cccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001141259187 816514615 /nfs/dbraw/zinc/51/46/15/816514615.db2.gz GBUIPIBHWCWPIW-CVEARBPZSA-N 2 1 273.424 2.136 20 0 CEADMP CCCC[NH2+]CCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001177344715 816549477 /nfs/dbraw/zinc/54/94/77/816549477.db2.gz RHNDPEAUMDWGOW-UHFFFAOYSA-N 2 1 291.439 2.014 20 0 CEADMP CCCC[NH2+]CCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001177344715 816549482 /nfs/dbraw/zinc/54/94/82/816549482.db2.gz RHNDPEAUMDWGOW-UHFFFAOYSA-N 2 1 291.439 2.014 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccn1 ZINC001206305195 816578247 /nfs/dbraw/zinc/57/82/47/816578247.db2.gz VUSLXLCPGIXJGX-HNNXBMFYSA-N 2 1 263.385 2.041 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccnc(F)c2)CC1 ZINC001206311745 816651451 /nfs/dbraw/zinc/65/14/51/816651451.db2.gz UDVLSMZRGBFEDT-CQSZACIVSA-N 2 1 251.349 2.172 20 0 CEADMP COc1cc(O)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206317917 816684868 /nfs/dbraw/zinc/68/48/68/816684868.db2.gz KQFAHKBDEKEQLF-MRXNPFEDSA-N 2 1 278.396 2.352 20 0 CEADMP Cc1ncc(F)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206318972 816700839 /nfs/dbraw/zinc/70/08/39/816700839.db2.gz WJTQADUFQJAMFV-OAHLLOKOSA-N 2 1 265.376 2.480 20 0 CEADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc2nccn2c1 ZINC001143035962 816779012 /nfs/dbraw/zinc/77/90/12/816779012.db2.gz ULMUVTHGOBEUFG-UHFFFAOYSA-N 2 1 274.412 2.498 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2nccn2c1 ZINC001143035962 816779016 /nfs/dbraw/zinc/77/90/16/816779016.db2.gz ULMUVTHGOBEUFG-UHFFFAOYSA-N 2 1 274.412 2.498 20 0 CEADMP C[NH+]1C(C)(C)CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001178703054 816788324 /nfs/dbraw/zinc/78/83/24/816788324.db2.gz ZPQDEQIADNLFLS-AWEZNQCLSA-N 2 1 295.471 2.238 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000127678949 187325640 /nfs/dbraw/zinc/32/56/40/187325640.db2.gz DSTFCLDZWMEXRL-JKSUJKDBSA-N 2 1 274.408 2.454 20 0 CEADMP Cn1cc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000121246954 365540540 /nfs/dbraw/zinc/54/05/40/365540540.db2.gz JYCBBQKLUDKKHO-UHFFFAOYSA-N 2 1 298.434 2.217 20 0 CEADMP [NH3+][C@@H]1C[C@@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000567653728 299071190 /nfs/dbraw/zinc/07/11/90/299071190.db2.gz MGGMPVWFJDQCSH-YLFCFFPRSA-N 2 1 271.408 2.109 20 0 CEADMP C[N@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCCCO1 ZINC000124992969 187164376 /nfs/dbraw/zinc/16/43/76/187164376.db2.gz FXXHRHUPKXWSHM-HNNXBMFYSA-N 2 1 254.418 2.363 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCCCO1 ZINC000124992969 187164377 /nfs/dbraw/zinc/16/43/77/187164377.db2.gz FXXHRHUPKXWSHM-HNNXBMFYSA-N 2 1 254.418 2.363 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000449155414 282123347 /nfs/dbraw/zinc/12/33/47/282123347.db2.gz PQESUUPVQLKOSU-LSDHHAIUSA-N 2 1 297.487 2.105 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccccn2)CC1 ZINC000125459054 365676074 /nfs/dbraw/zinc/67/60/74/365676074.db2.gz FCPAHPQWDHUJME-UHFFFAOYSA-N 2 1 299.422 2.189 20 0 CEADMP Cc1ccnc(C)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336586782 365682361 /nfs/dbraw/zinc/68/23/61/365682361.db2.gz PYAXGNWWDKHSDD-WCQYABFASA-N 2 1 276.384 2.303 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(-n3cncn3)cc2)CC1 ZINC000125272668 187177170 /nfs/dbraw/zinc/17/71/70/187177170.db2.gz RFLRSUDBVZHPSI-UHFFFAOYSA-N 2 1 299.422 2.183 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-n3cncn3)cc2)CC1 ZINC000125272668 187177171 /nfs/dbraw/zinc/17/71/71/187177171.db2.gz RFLRSUDBVZHPSI-UHFFFAOYSA-N 2 1 299.422 2.183 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337763411 214251894 /nfs/dbraw/zinc/25/18/94/214251894.db2.gz QPWHAWRLPUTGLT-ZFWWWQNUSA-N 2 1 254.418 2.110 20 0 CEADMP [NH3+]C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000036754457 361854183 /nfs/dbraw/zinc/85/41/83/361854183.db2.gz WHLNTNXVTPHNLD-UHFFFAOYSA-N 2 1 259.328 2.297 20 0 CEADMP CC1CC[NH+](CCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000036908289 361870833 /nfs/dbraw/zinc/87/08/33/361870833.db2.gz GCYBOWFTCWZFSA-YESZJQIVSA-N 2 1 281.488 2.427 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000036908289 361870838 /nfs/dbraw/zinc/87/08/38/361870838.db2.gz GCYBOWFTCWZFSA-YESZJQIVSA-N 3 1 281.488 2.427 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000036908289 361870845 /nfs/dbraw/zinc/87/08/45/361870845.db2.gz GCYBOWFTCWZFSA-YESZJQIVSA-N 3 1 281.488 2.427 20 0 CEADMP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359942355 293093222 /nfs/dbraw/zinc/09/32/22/293093222.db2.gz MZZXXBKECQHDHA-RRFJBIMHSA-N 2 1 254.418 2.264 20 0 CEADMP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000359942355 293093226 /nfs/dbraw/zinc/09/32/26/293093226.db2.gz MZZXXBKECQHDHA-RRFJBIMHSA-N 2 1 254.418 2.264 20 0 CEADMP COCCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000125470312 187186813 /nfs/dbraw/zinc/18/68/13/187186813.db2.gz NMTAYQBRMJYCEU-INIZCTEOSA-N 2 1 292.423 2.095 20 0 CEADMP COCCOc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000125470312 187186814 /nfs/dbraw/zinc/18/68/14/187186814.db2.gz NMTAYQBRMJYCEU-INIZCTEOSA-N 2 1 292.423 2.095 20 0 CEADMP CCC(CC)C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000122113599 539033075 /nfs/dbraw/zinc/03/30/75/539033075.db2.gz LMBRDHUWBYKWES-UHFFFAOYSA-N 2 1 255.450 2.040 20 0 CEADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCn2cc[nH+]c2C)C1(C)C ZINC000338013349 214359689 /nfs/dbraw/zinc/35/96/89/214359689.db2.gz SYTAAMKQTYBIPB-MRVWCRGKSA-N 2 1 265.401 2.231 20 0 CEADMP COC[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125515161 187189181 /nfs/dbraw/zinc/18/91/81/187189181.db2.gz QHNPDSFAXPNHOV-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP COC[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125515161 187189182 /nfs/dbraw/zinc/18/91/82/187189182.db2.gz QHNPDSFAXPNHOV-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621651581 349650317 /nfs/dbraw/zinc/65/03/17/349650317.db2.gz MPQUETPXPIDIHH-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621666385 349655655 /nfs/dbraw/zinc/65/56/55/349655655.db2.gz OBCHGRMRYXHCLA-GJZGRUSLSA-N 2 1 295.471 2.003 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2CCC3(CC2)OCCO3)CC1 ZINC000370697166 282187388 /nfs/dbraw/zinc/18/73/88/282187388.db2.gz JTUCRTHBVIRQQC-MRXNPFEDSA-N 2 1 296.455 2.336 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000090408986 539186393 /nfs/dbraw/zinc/18/63/93/539186393.db2.gz UOBFCZKCKGKLIB-JQWIXIFHSA-N 2 1 253.415 2.444 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000090408986 539186395 /nfs/dbraw/zinc/18/63/95/539186395.db2.gz UOBFCZKCKGKLIB-JQWIXIFHSA-N 2 1 253.415 2.444 20 0 CEADMP CCCC[NH+]1CCC([NH2+]Cc2cn(C)nc2CC)CC1 ZINC000092375410 539231372 /nfs/dbraw/zinc/23/13/72/539231372.db2.gz VPXZFCVMBIDINE-UHFFFAOYSA-N 2 1 278.444 2.337 20 0 CEADMP CCCc1[nH+]ccn1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000305335526 539222668 /nfs/dbraw/zinc/22/26/68/539222668.db2.gz RIKBYAVJMMBODS-INIZCTEOSA-N 2 1 287.407 2.329 20 0 CEADMP CCCc1[nH+]ccn1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000305335526 539222669 /nfs/dbraw/zinc/22/26/69/539222669.db2.gz RIKBYAVJMMBODS-INIZCTEOSA-N 2 1 287.407 2.329 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)(C)C)[NH2+]C)[C@H](C)C1 ZINC000449367014 282202323 /nfs/dbraw/zinc/20/23/23/282202323.db2.gz UGYGQKFEJIRQHX-ILXRZTDVSA-N 2 1 297.487 2.199 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](CCO)Cc1ccccc1 ZINC000305194441 282204699 /nfs/dbraw/zinc/20/46/99/282204699.db2.gz SQRYOFJEWAUFNP-UHFFFAOYSA-N 2 1 273.380 2.076 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)Cc1ccccc1 ZINC000305194441 282204702 /nfs/dbraw/zinc/20/47/02/282204702.db2.gz SQRYOFJEWAUFNP-UHFFFAOYSA-N 2 1 273.380 2.076 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1c(C)noc1C ZINC000415083814 529614100 /nfs/dbraw/zinc/61/41/00/529614100.db2.gz FTQBKFBUHOCEPP-OLZOCXBDSA-N 2 1 251.374 2.332 20 0 CEADMP Cc1cnccc1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000567761810 299088129 /nfs/dbraw/zinc/08/81/29/299088129.db2.gz PIFPIGQVAWCUNP-MRXNPFEDSA-N 2 1 273.424 2.350 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](Cc2ccccc2Br)C1 ZINC000042435546 362094606 /nfs/dbraw/zinc/09/46/06/362094606.db2.gz VFWWJNYGBDMQTF-SNVBAGLBSA-N 2 1 269.186 2.230 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2Br)C1 ZINC000042435546 362094612 /nfs/dbraw/zinc/09/46/12/362094612.db2.gz VFWWJNYGBDMQTF-SNVBAGLBSA-N 2 1 269.186 2.230 20 0 CEADMP C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CCCCCC1 ZINC000043402106 362143423 /nfs/dbraw/zinc/14/34/23/362143423.db2.gz VUQAQMNUHUAXGU-UHFFFAOYSA-N 2 1 266.389 2.418 20 0 CEADMP FC(F)(F)[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000043472061 362145856 /nfs/dbraw/zinc/14/58/56/362145856.db2.gz ANPCMTUWTQNWNI-MNOVXSKESA-N 2 1 250.308 2.260 20 0 CEADMP FC(F)(F)[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000043472061 362145859 /nfs/dbraw/zinc/14/58/59/362145859.db2.gz ANPCMTUWTQNWNI-MNOVXSKESA-N 2 1 250.308 2.260 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)NC(C)C)CC1 ZINC000052210025 343558367 /nfs/dbraw/zinc/55/83/67/343558367.db2.gz RBCMHVSZRSJYCQ-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP CCc1nc(NCC2(SC)CC[NH+](C)CC2)cc(C)[nH+]1 ZINC000357543923 529730046 /nfs/dbraw/zinc/73/00/46/529730046.db2.gz DFCLGYUSMLMGEP-UHFFFAOYSA-N 2 1 294.468 2.009 20 0 CEADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(N)=[NH2+])cc1 ZINC000057887912 343640597 /nfs/dbraw/zinc/64/05/97/343640597.db2.gz FQWNROKIBFUKNE-LBPRGKRZSA-N 2 1 260.385 2.044 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000060161873 343655406 /nfs/dbraw/zinc/65/54/06/343655406.db2.gz YABBVMUKYVZIEG-UHFFFAOYSA-N 2 1 283.460 2.097 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)C[C@H]12 ZINC000351480171 219100820 /nfs/dbraw/zinc/10/08/20/219100820.db2.gz UEEYSMQLWGJYNV-KWCYVHTRSA-N 2 1 282.334 2.457 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)C[C@@H]12 ZINC000351480170 219101484 /nfs/dbraw/zinc/10/14/84/219101484.db2.gz UEEYSMQLWGJYNV-IACUBPJLSA-N 2 1 282.334 2.457 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C(C)C ZINC000342094240 534948146 /nfs/dbraw/zinc/94/81/46/534948146.db2.gz FEYRWRXOCGFLII-QKPAOTATSA-N 2 1 295.471 2.080 20 0 CEADMP Cc1nc2[nH]ccc2c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000333682530 539357654 /nfs/dbraw/zinc/35/76/54/539357654.db2.gz LNKNSFNZLUASDP-YOGCLGLASA-N 2 1 271.368 2.303 20 0 CEADMP Cc1ccc(C[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000351516983 219112303 /nfs/dbraw/zinc/11/23/03/219112303.db2.gz HUASUEKJHLLIBK-CRAIPNDOSA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000351516983 219112304 /nfs/dbraw/zinc/11/23/04/219112304.db2.gz HUASUEKJHLLIBK-CRAIPNDOSA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccc(C[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351516983 219112306 /nfs/dbraw/zinc/11/23/06/219112306.db2.gz HUASUEKJHLLIBK-CRAIPNDOSA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccc(C[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351516983 219112307 /nfs/dbraw/zinc/11/23/07/219112307.db2.gz HUASUEKJHLLIBK-CRAIPNDOSA-N 2 1 290.451 2.313 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1)C1CC1 ZINC000449603970 282301357 /nfs/dbraw/zinc/30/13/57/282301357.db2.gz RZODYZPLMGTTKY-OLZOCXBDSA-N 2 1 289.423 2.136 20 0 CEADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000071148708 343800832 /nfs/dbraw/zinc/80/08/32/343800832.db2.gz PIUOMZBHUMTQJE-UHFFFAOYSA-N 2 1 289.467 2.321 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000073334129 343827308 /nfs/dbraw/zinc/82/73/08/343827308.db2.gz NJOPZKXPSVHZRS-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CCc1cnc(C[NH+]2CCC(CC[NH+](C)C)CC2)o1 ZINC000075645025 343860946 /nfs/dbraw/zinc/86/09/46/343860946.db2.gz YSEJZVCFIFRJGM-UHFFFAOYSA-N 2 1 265.401 2.401 20 0 CEADMP CCOC(=O)[C@@H](CC)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000075713402 343864132 /nfs/dbraw/zinc/86/41/32/343864132.db2.gz VUGVNJMLTYCKSD-OAHLLOKOSA-N 2 1 284.444 2.380 20 0 CEADMP CCc1cnc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)o1 ZINC000567990544 299105993 /nfs/dbraw/zinc/10/59/93/299105993.db2.gz GOMJAKXIZRBECO-ZDUSSCGKSA-N 2 1 263.385 2.059 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ncccc1Cl ZINC000090408322 344139169 /nfs/dbraw/zinc/13/91/69/344139169.db2.gz AQLHWWXMXKKBDK-YPMHNXCESA-N 2 1 283.803 2.044 20 0 CEADMP C[NH+](C)CC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090668803 344142534 /nfs/dbraw/zinc/14/25/34/344142534.db2.gz PSMOFSUOTHEJOM-SJJHQCBESA-N 3 1 279.472 2.323 20 0 CEADMP CCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093214290 344216590 /nfs/dbraw/zinc/21/65/90/344216590.db2.gz QSKHTILTDHYTGV-UKRRQHHQSA-N 3 1 253.434 2.110 20 0 CEADMP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000093298328 344218932 /nfs/dbraw/zinc/21/89/32/344218932.db2.gz IXBHIQSUDNXJEX-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP COC(=O)C(C)(C)[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000093298328 344218933 /nfs/dbraw/zinc/21/89/33/344218933.db2.gz IXBHIQSUDNXJEX-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP COC(=O)C(C)(C)[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000093298328 344218935 /nfs/dbraw/zinc/21/89/35/344218935.db2.gz IXBHIQSUDNXJEX-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC[C@H]1CCOC1 ZINC000449686397 282331351 /nfs/dbraw/zinc/33/13/51/282331351.db2.gz WMJSSHOULMLAHI-ZDUSSCGKSA-N 2 1 263.385 2.054 20 0 CEADMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000120633406 344299427 /nfs/dbraw/zinc/29/94/27/344299427.db2.gz OQWCVIRQWJUXEZ-MRXNPFEDSA-N 2 1 297.487 2.343 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+][C@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000351597869 219140282 /nfs/dbraw/zinc/14/02/82/219140282.db2.gz UVAJKDACOOAQAL-QZTJIDSGSA-N 2 1 288.435 2.052 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000351597869 219140284 /nfs/dbraw/zinc/14/02/84/219140284.db2.gz UVAJKDACOOAQAL-QZTJIDSGSA-N 2 1 288.435 2.052 20 0 CEADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccnn1C ZINC000192873724 344517738 /nfs/dbraw/zinc/51/77/38/344517738.db2.gz SKWQPMUZHGNFGT-TZMCWYRMSA-N 2 1 266.433 2.437 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(F)c1 ZINC000228622811 344561983 /nfs/dbraw/zinc/56/19/83/344561983.db2.gz ARWZCDHJKALHFW-SGIREYDYSA-N 2 1 278.371 2.394 20 0 CEADMP COCC1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CCCC1 ZINC000449742555 282349157 /nfs/dbraw/zinc/34/91/57/282349157.db2.gz PDHICKSNAJTBHT-UHFFFAOYSA-N 2 1 277.412 2.444 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CCC[N@@H+](C)C1 ZINC000251184107 344635859 /nfs/dbraw/zinc/63/58/59/344635859.db2.gz HXSNPIHVXRZECA-OAGGEKHMSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000251184107 344635860 /nfs/dbraw/zinc/63/58/60/344635860.db2.gz HXSNPIHVXRZECA-OAGGEKHMSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000251184107 344635862 /nfs/dbraw/zinc/63/58/62/344635862.db2.gz HXSNPIHVXRZECA-OAGGEKHMSA-N 3 1 267.461 2.229 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccncn2)CC1 ZINC000411823277 530056916 /nfs/dbraw/zinc/05/69/16/530056916.db2.gz CPRMTZLBYXJPBI-OAHLLOKOSA-N 2 1 274.412 2.140 20 0 CEADMP C[C@H](Nc1cc[nH+]cc1Cl)C1CC[NH+](C)CC1 ZINC000396449704 344847147 /nfs/dbraw/zinc/84/71/47/344847147.db2.gz HYOFONVCHCUELP-JTQLQIEISA-N 2 1 253.777 2.299 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000404375648 344880258 /nfs/dbraw/zinc/88/02/58/344880258.db2.gz KSPDWABLGAHLPV-XJKSGUPXSA-N 2 1 290.407 2.423 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])oc1C ZINC000404365388 344880335 /nfs/dbraw/zinc/88/03/35/344880335.db2.gz PHBSWCZNFRKJIX-IAQYHMDHSA-N 2 1 294.395 2.324 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])oc1C ZINC000404365388 344880338 /nfs/dbraw/zinc/88/03/38/344880338.db2.gz PHBSWCZNFRKJIX-IAQYHMDHSA-N 2 1 294.395 2.324 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000273246077 192086700 /nfs/dbraw/zinc/08/67/00/192086700.db2.gz VILPFKVGGVHCIM-MRXNPFEDSA-N 2 1 278.440 2.423 20 0 CEADMP C[N@H+](CCC(=O)N1CCCCC1)CC[C@@H]1CCCC[NH+]1C ZINC000359606000 282397798 /nfs/dbraw/zinc/39/77/98/282397798.db2.gz YPUMHWCFYDYQDP-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP C[NH+](CCC(=O)N1CCCCC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000359606000 282397801 /nfs/dbraw/zinc/39/78/01/282397801.db2.gz YPUMHWCFYDYQDP-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP C[NH+](CCC(=O)N1CCCCC1)CC[C@@H]1CCCC[N@H+]1C ZINC000359606000 282397803 /nfs/dbraw/zinc/39/78/03/282397803.db2.gz YPUMHWCFYDYQDP-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP COC(=O)CC[N@@H+](CCCC1CC[NH2+]CC1)CC(C)C ZINC000592493339 345360214 /nfs/dbraw/zinc/36/02/14/345360214.db2.gz MVJSGTRRIWRUDZ-UHFFFAOYSA-N 2 1 284.444 2.287 20 0 CEADMP C[N@H+]1CCN(CCC[NH+]2CCCC2)CC12CCCCC2 ZINC000568175651 299120347 /nfs/dbraw/zinc/12/03/47/299120347.db2.gz DBEMUDISHKTOPE-UHFFFAOYSA-N 2 1 279.472 2.423 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593730783 345528781 /nfs/dbraw/zinc/52/87/81/345528781.db2.gz GABXBKJPVUCSFQ-KBPBESRZSA-N 2 1 270.417 2.169 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc2ccncc2s1 ZINC000623085990 349933831 /nfs/dbraw/zinc/93/38/31/349933831.db2.gz RJYQWEOKYVTMEW-UHFFFAOYSA-N 2 1 272.377 2.362 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000594915011 345700000 /nfs/dbraw/zinc/70/00/00/345700000.db2.gz OLBOPPZXBPPUKY-NUEKZKHPSA-N 2 1 296.455 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)C(C)(C)C)C[C@@H]1C ZINC000336787158 365806983 /nfs/dbraw/zinc/80/69/83/365806983.db2.gz KUSLBMPVZQZCDS-MELADBBJSA-N 2 1 256.434 2.198 20 0 CEADMP COc1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000295123887 199357853 /nfs/dbraw/zinc/35/78/53/199357853.db2.gz XPZWEKOTDAUXOB-STQMWFEESA-N 2 1 295.814 2.460 20 0 CEADMP COc1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000295123887 199357854 /nfs/dbraw/zinc/35/78/54/199357854.db2.gz XPZWEKOTDAUXOB-STQMWFEESA-N 2 1 295.814 2.460 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1(C)C ZINC000085397712 179050163 /nfs/dbraw/zinc/05/01/63/179050163.db2.gz WIADNNWZMCANTQ-KGLIPLIRSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)NCC([NH3+])(CC)CC)c1ccccc1 ZINC000236885283 370646912 /nfs/dbraw/zinc/64/69/12/370646912.db2.gz HMWRHLNKUYNFOE-OAHLLOKOSA-N 2 1 291.439 2.313 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000599023116 346447541 /nfs/dbraw/zinc/44/75/41/346447541.db2.gz BJTQYNYJCIZKPM-FJBKBRRZSA-N 2 1 294.439 2.325 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000599023116 346447543 /nfs/dbraw/zinc/44/75/43/346447543.db2.gz BJTQYNYJCIZKPM-FJBKBRRZSA-N 2 1 294.439 2.325 20 0 CEADMP COC(=O)CC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000599029102 346449034 /nfs/dbraw/zinc/44/90/34/346449034.db2.gz ZAHYOBGFTHDRSF-SLTAFYQDSA-N 2 1 282.428 2.040 20 0 CEADMP CC/C=C/CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000568274493 299132811 /nfs/dbraw/zinc/13/28/11/299132811.db2.gz GUFKEZHRJIMNAE-ONEGZZNKSA-N 2 1 266.429 2.169 20 0 CEADMP COC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000336794899 365818326 /nfs/dbraw/zinc/81/83/26/365818326.db2.gz GOALGJXVRYNVIE-UONOGXRCSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000063194729 362758472 /nfs/dbraw/zinc/75/84/72/362758472.db2.gz UPVMKZPKDMINHB-SWLSCSKDSA-N 2 1 293.386 2.356 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000063194729 362758476 /nfs/dbraw/zinc/75/84/76/362758476.db2.gz UPVMKZPKDMINHB-SWLSCSKDSA-N 2 1 293.386 2.356 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000063467382 362767841 /nfs/dbraw/zinc/76/78/41/362767841.db2.gz DDEKNSDQKUMIAT-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[NH+](C)CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000063467382 362767843 /nfs/dbraw/zinc/76/78/43/362767843.db2.gz DDEKNSDQKUMIAT-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[NH+](C)CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000063467382 362767847 /nfs/dbraw/zinc/76/78/47/362767847.db2.gz DDEKNSDQKUMIAT-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP COC(=O)C1C[C@H](C)[NH+](CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000599697151 346570012 /nfs/dbraw/zinc/57/00/12/346570012.db2.gz RCRBBNDVWZAGBW-STQMWFEESA-N 2 1 293.411 2.244 20 0 CEADMP Cc1cc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2C)on1 ZINC000336801907 365833942 /nfs/dbraw/zinc/83/39/42/365833942.db2.gz RSSFSZWUWATOPV-CYBMUJFWSA-N 2 1 260.341 2.325 20 0 CEADMP Cc1cc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2C)on1 ZINC000336801907 365833947 /nfs/dbraw/zinc/83/39/47/365833947.db2.gz RSSFSZWUWATOPV-CYBMUJFWSA-N 2 1 260.341 2.325 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000336801426 365832540 /nfs/dbraw/zinc/83/25/40/365832540.db2.gz QBGAPHMRLICEPD-JYJNAYRXSA-N 2 1 267.461 2.133 20 0 CEADMP CC[NH+]1CC[C@H](N(C)CC[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000336801426 365832543 /nfs/dbraw/zinc/83/25/43/365832543.db2.gz QBGAPHMRLICEPD-JYJNAYRXSA-N 2 1 267.461 2.133 20 0 CEADMP CC[NH+]1CC[C@H](N(C)CC[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000336801426 365832548 /nfs/dbraw/zinc/83/25/48/365832548.db2.gz QBGAPHMRLICEPD-JYJNAYRXSA-N 2 1 267.461 2.133 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000336802158 365834128 /nfs/dbraw/zinc/83/41/28/365834128.db2.gz SRUUWJXRWLTECR-ZDUSSCGKSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000336802158 365834135 /nfs/dbraw/zinc/83/41/35/365834135.db2.gz SRUUWJXRWLTECR-ZDUSSCGKSA-N 2 1 265.401 2.471 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC2(C1)CCCCC2)C1CC1 ZINC000336809120 365845513 /nfs/dbraw/zinc/84/55/13/365845513.db2.gz DQFJQJFMFGJEIQ-HNNXBMFYSA-N 2 1 266.429 2.098 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC2(C1)CCCCC2)C1CC1 ZINC000336809120 365845517 /nfs/dbraw/zinc/84/55/17/365845517.db2.gz DQFJQJFMFGJEIQ-HNNXBMFYSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC2(C1)CCCCC2)C1CC1 ZINC000336809120 365845519 /nfs/dbraw/zinc/84/55/19/365845519.db2.gz DQFJQJFMFGJEIQ-HNNXBMFYSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC2(C1)CCCCC2)C1CC1 ZINC000336809120 365845522 /nfs/dbraw/zinc/84/55/22/365845522.db2.gz DQFJQJFMFGJEIQ-HNNXBMFYSA-N 2 1 266.429 2.098 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000336810562 365848205 /nfs/dbraw/zinc/84/82/05/365848205.db2.gz IKONEUMUNCJWRC-HIFRSBDPSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000336810562 365848209 /nfs/dbraw/zinc/84/82/09/365848209.db2.gz IKONEUMUNCJWRC-HIFRSBDPSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1nccn1CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000336820986 365869363 /nfs/dbraw/zinc/86/93/63/365869363.db2.gz GCNBUYGTRWHFTH-MRXNPFEDSA-N 2 1 276.428 2.142 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000602655910 347126848 /nfs/dbraw/zinc/12/68/48/347126848.db2.gz HYKYAUIPPIOALV-HLIUYOAVSA-N 2 1 282.428 2.038 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)on1 ZINC000336823543 365877172 /nfs/dbraw/zinc/87/71/72/365877172.db2.gz QBZKABJXCDDHCM-ZDUSSCGKSA-N 2 1 274.368 2.171 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)on1 ZINC000336823543 365877179 /nfs/dbraw/zinc/87/71/79/365877179.db2.gz QBZKABJXCDDHCM-ZDUSSCGKSA-N 2 1 274.368 2.171 20 0 CEADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000606351988 347466143 /nfs/dbraw/zinc/46/61/43/347466143.db2.gz FVNXIWKNQWJABW-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCC2CC2)CC1 ZINC000336827764 365889579 /nfs/dbraw/zinc/88/95/79/365889579.db2.gz IMPWUKIHOOJGPU-IYBDPMFKSA-N 2 1 279.472 2.277 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH3+])C1c2ccccc2-c2ccccc21 ZINC000336834145 365902477 /nfs/dbraw/zinc/90/24/77/365902477.db2.gz QGOLSDDXPUWPBZ-GFCCVEGCSA-N 2 1 268.360 2.008 20 0 CEADMP CC1(C)CCC[C@]1(O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459582115 290185888 /nfs/dbraw/zinc/18/58/88/290185888.db2.gz DCDVBKLQSZXCBO-INIZCTEOSA-N 2 1 266.429 2.144 20 0 CEADMP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336853238 365928502 /nfs/dbraw/zinc/92/85/02/365928502.db2.gz FYAXTBAZAXRFIT-CVEARBPZSA-N 2 1 297.406 2.188 20 0 CEADMP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336853238 365928508 /nfs/dbraw/zinc/92/85/08/365928508.db2.gz FYAXTBAZAXRFIT-CVEARBPZSA-N 2 1 297.406 2.188 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCC[C@@H]1O ZINC000336886452 365933740 /nfs/dbraw/zinc/93/37/40/365933740.db2.gz BVIGZLSKLNIKAQ-JYJNAYRXSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCC[C@@H]1O ZINC000336886452 365933741 /nfs/dbraw/zinc/93/37/41/365933741.db2.gz BVIGZLSKLNIKAQ-JYJNAYRXSA-N 2 1 268.445 2.344 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCC[C@@H]1O ZINC000336886454 365933915 /nfs/dbraw/zinc/93/39/15/365933915.db2.gz BVIGZLSKLNIKAQ-PMPSAXMXSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCCC[C@@H]1O ZINC000336886454 365933918 /nfs/dbraw/zinc/93/39/18/365933918.db2.gz BVIGZLSKLNIKAQ-PMPSAXMXSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H]1CCCOCC1)[NH+]1CCCC1 ZINC000086870166 179363566 /nfs/dbraw/zinc/36/35/66/179363566.db2.gz LAHJMPUPXAJMOR-GJZGRUSLSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1nccn1CCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339428627 215160688 /nfs/dbraw/zinc/16/06/88/215160688.db2.gz QZGKSKUWGLFVLB-KRWDZBQOSA-N 2 1 290.455 2.389 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428627 215160690 /nfs/dbraw/zinc/16/06/90/215160690.db2.gz QZGKSKUWGLFVLB-KRWDZBQOSA-N 2 1 290.455 2.389 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428627 215160693 /nfs/dbraw/zinc/16/06/93/215160693.db2.gz QZGKSKUWGLFVLB-KRWDZBQOSA-N 2 1 290.455 2.389 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000615605790 348359781 /nfs/dbraw/zinc/35/97/81/348359781.db2.gz JAWZXLIGZLHMPM-WMLDXEAASA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC1(C)C ZINC000623338642 349991795 /nfs/dbraw/zinc/99/17/95/349991795.db2.gz KAEWDSCJJCSYBX-AWEZNQCLSA-N 2 1 290.407 2.420 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC1(C)C ZINC000623338642 349991798 /nfs/dbraw/zinc/99/17/98/349991798.db2.gz KAEWDSCJJCSYBX-AWEZNQCLSA-N 2 1 290.407 2.420 20 0 CEADMP CN(CCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CC(F)(F)F ZINC000623358211 349997540 /nfs/dbraw/zinc/99/75/40/349997540.db2.gz TVCHXTJVYILHNW-LBPRGKRZSA-N 2 1 295.393 2.333 20 0 CEADMP c1cc2c(c(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c1)NCC2 ZINC000335866222 539649665 /nfs/dbraw/zinc/64/96/65/539649665.db2.gz AHYVCBWVFAAYES-QGZVFWFLSA-N 2 1 271.408 2.230 20 0 CEADMP C[C@@H](C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000617014392 348612893 /nfs/dbraw/zinc/61/28/93/348612893.db2.gz ISVGEHDJSWFMTA-XGUBFFRZSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000617014392 348612894 /nfs/dbraw/zinc/61/28/94/348612894.db2.gz ISVGEHDJSWFMTA-XGUBFFRZSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000617014392 348612895 /nfs/dbraw/zinc/61/28/95/348612895.db2.gz ISVGEHDJSWFMTA-XGUBFFRZSA-N 2 1 295.471 2.237 20 0 CEADMP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339073972 539658389 /nfs/dbraw/zinc/65/83/89/539658389.db2.gz HEYWJPWPFUTIBD-CABCVRRESA-N 2 1 268.445 2.392 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCC[C@@H]1C ZINC000617502569 348717473 /nfs/dbraw/zinc/71/74/73/348717473.db2.gz UYFWMBCWMAWICI-JYJNAYRXSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCC[C@@H]1C ZINC000617502569 348717477 /nfs/dbraw/zinc/71/74/77/348717477.db2.gz UYFWMBCWMAWICI-JYJNAYRXSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000339242349 539670008 /nfs/dbraw/zinc/67/00/08/539670008.db2.gz ZHQIDZIPOOQGLL-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594248 179826857 /nfs/dbraw/zinc/82/68/57/179826857.db2.gz FUMXGSQJFXXWEF-AWEZNQCLSA-N 2 1 254.418 2.410 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNCc2cnc3ccccn23)C1 ZINC000620762247 349430660 /nfs/dbraw/zinc/43/06/60/349430660.db2.gz YXICQXILQMCZFW-AWEZNQCLSA-N 2 1 272.396 2.154 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccccn23)C1 ZINC000620762247 349430662 /nfs/dbraw/zinc/43/06/62/349430662.db2.gz YXICQXILQMCZFW-AWEZNQCLSA-N 2 1 272.396 2.154 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccccn23)C1 ZINC000620762247 349430663 /nfs/dbraw/zinc/43/06/63/349430663.db2.gz YXICQXILQMCZFW-AWEZNQCLSA-N 2 1 272.396 2.154 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCCCCn1cc[nH+]c1C ZINC000352051855 219303505 /nfs/dbraw/zinc/30/35/05/219303505.db2.gz FXPBAIZHUXFRQA-HNNXBMFYSA-N 2 1 294.443 2.255 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCNc2ccccn2)CC1(C)C ZINC000623441708 350021255 /nfs/dbraw/zinc/02/12/55/350021255.db2.gz FVMKUWHXNALOGV-AWEZNQCLSA-N 2 1 276.428 2.346 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1(C)C ZINC000623471988 350028219 /nfs/dbraw/zinc/02/82/19/350028219.db2.gz AFMLECMJMHOHHC-YJNKXOJESA-N 2 1 278.440 2.406 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC(C)(C)O2)CC1(C)C ZINC000623496627 350034668 /nfs/dbraw/zinc/03/46/68/350034668.db2.gz DWTZUWNZDLXCPE-OLZOCXBDSA-N 2 1 254.418 2.406 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623510267 350038505 /nfs/dbraw/zinc/03/85/05/350038505.db2.gz PLEJPXKJNSIYBM-AWEZNQCLSA-N 2 1 290.411 2.002 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623510267 350038509 /nfs/dbraw/zinc/03/85/09/350038509.db2.gz PLEJPXKJNSIYBM-AWEZNQCLSA-N 2 1 290.411 2.002 20 0 CEADMP C[N@H+]1CC[C@@H](N[C@H](CC(N)=O)c2ccccc2)CC1(C)C ZINC000623533828 350043135 /nfs/dbraw/zinc/04/31/35/350043135.db2.gz NULMZEXIDDZUHD-HUUCEWRRSA-N 2 1 289.423 2.066 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CC(N)=O)c2ccccc2)CC1(C)C ZINC000623533828 350043144 /nfs/dbraw/zinc/04/31/44/350043144.db2.gz NULMZEXIDDZUHD-HUUCEWRRSA-N 2 1 289.423 2.066 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H](CC(N)=O)c2ccccc2)CC1(C)C ZINC000623533829 350043154 /nfs/dbraw/zinc/04/31/54/350043154.db2.gz NULMZEXIDDZUHD-LSDHHAIUSA-N 2 1 289.423 2.066 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CC(N)=O)c2ccccc2)CC1(C)C ZINC000623533829 350043160 /nfs/dbraw/zinc/04/31/60/350043160.db2.gz NULMZEXIDDZUHD-LSDHHAIUSA-N 2 1 289.423 2.066 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)CC1(C)C ZINC000623542280 350046046 /nfs/dbraw/zinc/04/60/46/350046046.db2.gz UPNQVTYPLBPLOM-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H](C)C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623557203 350049460 /nfs/dbraw/zinc/04/94/60/350049460.db2.gz OAKCIJXZULPUOE-MJBXVCDLSA-N 2 1 256.434 2.246 20 0 CEADMP CCC[C@H](C)[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623558994 350050375 /nfs/dbraw/zinc/05/03/75/350050375.db2.gz PIIVUHZXZFRMLN-MELADBBJSA-N 2 1 256.434 2.246 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)CC1(C)C ZINC000623572712 350054197 /nfs/dbraw/zinc/05/41/97/350054197.db2.gz KYAUBQHKBGUBBE-KGLIPLIRSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@]2(O)CCCOC2)CC1(C)C ZINC000623572502 350054604 /nfs/dbraw/zinc/05/46/04/350054604.db2.gz CAKCAEPZQSFIHH-WMLDXEAASA-N 2 1 298.471 2.017 20 0 CEADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC000090585324 180009251 /nfs/dbraw/zinc/00/92/51/180009251.db2.gz RPIYCIUVOMFJKE-ZBFHGGJFSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000090891605 180053738 /nfs/dbraw/zinc/05/37/38/180053738.db2.gz IBXPSRDJNLMIPN-KFZJALRRSA-N 2 1 294.414 2.352 20 0 CEADMP CC(C)CC[C@@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000624110600 350197080 /nfs/dbraw/zinc/19/70/80/350197080.db2.gz BHORMTCDBSWOKU-IRXDYDNUSA-N 2 1 298.471 2.017 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121000 350198351 /nfs/dbraw/zinc/19/83/51/350198351.db2.gz LLHBCYIQHYSDLQ-HIFRSBDPSA-N 2 1 276.428 2.119 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120670 350198725 /nfs/dbraw/zinc/19/87/25/350198725.db2.gz DQGVTMGWIBACPY-JSGCOSHPSA-N 2 1 264.417 2.111 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120670 350198730 /nfs/dbraw/zinc/19/87/30/350198730.db2.gz DQGVTMGWIBACPY-JSGCOSHPSA-N 2 1 264.417 2.111 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121002 350198911 /nfs/dbraw/zinc/19/89/11/350198911.db2.gz LLHBCYIQHYSDLQ-ZFWWWQNUSA-N 2 1 276.428 2.119 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000166597322 539783592 /nfs/dbraw/zinc/78/35/92/539783592.db2.gz DSTIUNKVSJSSMD-BRWVUGGUSA-N 2 1 279.472 2.467 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166597322 539783596 /nfs/dbraw/zinc/78/35/96/539783596.db2.gz DSTIUNKVSJSSMD-BRWVUGGUSA-N 2 1 279.472 2.467 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166597322 539783599 /nfs/dbraw/zinc/78/35/99/539783599.db2.gz DSTIUNKVSJSSMD-BRWVUGGUSA-N 2 1 279.472 2.467 20 0 CEADMP C[N@@H+](Cc1nc(-c2ccccc2)no1)C1CCC([NH3+])CC1 ZINC000091847723 180270878 /nfs/dbraw/zinc/27/08/78/180270878.db2.gz QJINQHKWVMVGRZ-UHFFFAOYSA-N 2 1 286.379 2.438 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCC(C)(C)C)CC1 ZINC000625134357 350411323 /nfs/dbraw/zinc/41/13/23/350411323.db2.gz DEGMBHFOQILRCH-UHFFFAOYSA-N 2 1 297.487 2.201 20 0 CEADMP CCCCOCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918336 186088800 /nfs/dbraw/zinc/08/88/00/186088800.db2.gz BOLSVBPOTJDQDH-UHFFFAOYSA-N 2 1 279.428 2.491 20 0 CEADMP COCCCCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918322 186089447 /nfs/dbraw/zinc/08/94/47/186089447.db2.gz ZRLVIZPAMYYIOP-UHFFFAOYSA-N 2 1 279.428 2.491 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cn3ccccc3n2)[C@H](C)C1 ZINC000130588329 365971262 /nfs/dbraw/zinc/97/12/62/365971262.db2.gz TWHJFAJADDBMLU-ZBFHGGJFSA-N 2 1 286.423 2.197 20 0 CEADMP Cc1ccc(OCCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000107579746 186181113 /nfs/dbraw/zinc/18/11/13/186181113.db2.gz MSAGUDDEOBVHBI-IYBDPMFKSA-N 2 1 274.408 2.224 20 0 CEADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](COC)OC ZINC000626063373 350646063 /nfs/dbraw/zinc/64/60/63/350646063.db2.gz BHRPFPVRSRHFGG-QGZVFWFLSA-N 2 1 294.439 2.232 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4n[nH]cc43)CC[C@@H]21 ZINC000628190260 350997867 /nfs/dbraw/zinc/99/78/67/350997867.db2.gz ABIZESLPCCBBTC-PBHICJAKSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4n[nH]cc43)CC[C@@H]21 ZINC000628190260 350997872 /nfs/dbraw/zinc/99/78/72/350997872.db2.gz ABIZESLPCCBBTC-PBHICJAKSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4n[nH]cc43)CC[C@@H]21 ZINC000628190260 350997876 /nfs/dbraw/zinc/99/78/76/350997876.db2.gz ABIZESLPCCBBTC-PBHICJAKSA-N 2 1 284.407 2.479 20 0 CEADMP Cc1ncc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)o1 ZINC000628204978 351004511 /nfs/dbraw/zinc/00/45/11/351004511.db2.gz UNRLXTQCIGYGLE-UHFFFAOYSA-N 2 1 289.379 2.213 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2n[nH]cc21 ZINC000628259165 351031118 /nfs/dbraw/zinc/03/11/18/351031118.db2.gz JITLRSSYEHXOCQ-UHFFFAOYSA-N 2 1 272.396 2.481 20 0 CEADMP CCc1nc(C)c([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)s1 ZINC000629522009 351387858 /nfs/dbraw/zinc/38/78/58/351387858.db2.gz VIAUCFVSAKQMBZ-SNVBAGLBSA-N 2 1 283.441 2.172 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000629527433 351391391 /nfs/dbraw/zinc/39/13/91/351391391.db2.gz VPHVLWKRXSOMPH-DGAVXFQQSA-N 2 1 254.418 2.309 20 0 CEADMP COCc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000629649132 351446993 /nfs/dbraw/zinc/44/69/93/351446993.db2.gz INTFWPPHCRABRI-CJNGLKHVSA-N 2 1 278.396 2.390 20 0 CEADMP COCc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000629649132 351446996 /nfs/dbraw/zinc/44/69/96/351446996.db2.gz INTFWPPHCRABRI-CJNGLKHVSA-N 2 1 278.396 2.390 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2=Cc3ccccc3OC2)CC[NH2+]1 ZINC000629648885 351447185 /nfs/dbraw/zinc/44/71/85/351447185.db2.gz BNCXCSNXESIWHH-DOMZBBRYSA-N 2 1 258.365 2.193 20 0 CEADMP C[C@@H]1C[N@@H+](CC2=Cc3ccccc3OC2)C[C@@]1(C)C[NH3+] ZINC000629648617 351447650 /nfs/dbraw/zinc/44/76/50/351447650.db2.gz SMCGSGXXQQCVKZ-CXAGYDPISA-N 2 1 272.392 2.379 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000629654289 351451114 /nfs/dbraw/zinc/45/11/14/351451114.db2.gz OZSDZIAAPRAFCP-UHFFFAOYSA-N 2 1 299.418 2.416 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)C[NH2+]1 ZINC000629659475 351454545 /nfs/dbraw/zinc/45/45/45/351454545.db2.gz ANBXCPPSQOAYGK-XJKSGUPXSA-N 2 1 274.408 2.284 20 0 CEADMP Cc1nc2ccc(C[N@@H+](C)CCOCC[NH3+])cc2s1 ZINC000629663253 351456071 /nfs/dbraw/zinc/45/60/71/351456071.db2.gz IDFSNRNFSKFYKV-UHFFFAOYSA-N 2 1 279.409 2.012 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000629547682 351407283 /nfs/dbraw/zinc/40/72/83/351407283.db2.gz FUZHIRIKWUHFSU-BBRMVZONSA-N 2 1 298.377 2.115 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000629547682 351407286 /nfs/dbraw/zinc/40/72/86/351407286.db2.gz FUZHIRIKWUHFSU-BBRMVZONSA-N 2 1 298.377 2.115 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C12CCCCC2 ZINC000629553214 351411291 /nfs/dbraw/zinc/41/12/91/351411291.db2.gz BEDNBIOIAWJAED-RDBSUJKOSA-N 2 1 252.402 2.066 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000629569425 351418049 /nfs/dbraw/zinc/41/80/49/351418049.db2.gz CKGXHWCBAIQXTB-UHFFFAOYSA-N 2 1 272.339 2.292 20 0 CEADMP CC(C)c1cccc(C[N@@H+](C)CCOCC[NH3+])c1 ZINC000629581024 351422098 /nfs/dbraw/zinc/42/20/98/351422098.db2.gz KEFLNESPQWNGKG-UHFFFAOYSA-N 2 1 250.386 2.217 20 0 CEADMP C[N@@H+](CCOCC[NH3+])[C@H]1CCCc2ccc(F)cc21 ZINC000629581198 351422365 /nfs/dbraw/zinc/42/23/65/351422365.db2.gz RDCXOZQMSSOKRD-HNNXBMFYSA-N 2 1 266.360 2.110 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCCC3(CC3)CC2)n1 ZINC000629586809 351423958 /nfs/dbraw/zinc/42/39/58/351423958.db2.gz VZYBCTXCKWQPMO-UHFFFAOYSA-N 2 1 264.373 2.030 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2CCCC3(CC3)CC2)n1 ZINC000629586809 351423962 /nfs/dbraw/zinc/42/39/62/351423962.db2.gz VZYBCTXCKWQPMO-UHFFFAOYSA-N 2 1 264.373 2.030 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(OC)c1 ZINC000070171547 363045519 /nfs/dbraw/zinc/04/55/19/363045519.db2.gz RUXYEOXKFYSIEQ-QWHCGFSZSA-N 2 1 278.396 2.263 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(OC)c1 ZINC000070171547 363045523 /nfs/dbraw/zinc/04/55/23/363045523.db2.gz RUXYEOXKFYSIEQ-QWHCGFSZSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000070173950 363047687 /nfs/dbraw/zinc/04/76/87/363047687.db2.gz NFRRLIGTPCQXGU-ZIAGYGMSSA-N 2 1 275.396 2.074 20 0 CEADMP Cc1cc(NC(=O)C[N@@H+](C)C2CCC2)ccc1C[NH+](C)C ZINC000630007349 351582963 /nfs/dbraw/zinc/58/29/63/351582963.db2.gz JNABWIORLSESMO-UHFFFAOYSA-N 2 1 289.423 2.479 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000070359242 363075750 /nfs/dbraw/zinc/07/57/50/363075750.db2.gz BMPRSDOXNFJUOQ-HUUCEWRRSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[NH+](CCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000121915916 187004668 /nfs/dbraw/zinc/00/46/68/187004668.db2.gz RUNYVDMFMDTNHB-XHSDSOJGSA-N 2 1 297.487 2.483 20 0 CEADMP C[C@H](C[NH2+]Cc1ccnn1-c1ccc(F)cc1)C[NH+](C)C ZINC000291742337 198076873 /nfs/dbraw/zinc/07/68/73/198076873.db2.gz OZKLJGXXWINVPU-CYBMUJFWSA-N 2 1 290.386 2.299 20 0 CEADMP C[NH+](C)C1(C[NH2+]C[C@H]2CC=CCC2)CCOCC1 ZINC000123005078 187065782 /nfs/dbraw/zinc/06/57/82/187065782.db2.gz YRNFHFRULPANPK-AWEZNQCLSA-N 2 1 252.402 2.043 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)CC[N@H+]1C ZINC000123812420 187109794 /nfs/dbraw/zinc/10/97/94/187109794.db2.gz HMXBCPMCCHXHJK-YUELXQCFSA-N 2 1 260.381 2.062 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC000631046229 351936797 /nfs/dbraw/zinc/93/67/97/351936797.db2.gz YWLPVZZYIMRWJH-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC000631046229 351936800 /nfs/dbraw/zinc/93/68/00/351936800.db2.gz YWLPVZZYIMRWJH-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCOC1 ZINC000631196765 352011772 /nfs/dbraw/zinc/01/17/72/352011772.db2.gz VBKZDQAPKJLHTF-OIISXLGYSA-N 2 1 274.408 2.133 20 0 CEADMP O=c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000631124570 351976247 /nfs/dbraw/zinc/97/62/47/351976247.db2.gz YMHNBASBEQRLTH-KRWDZBQOSA-N 2 1 297.402 2.399 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2c(c1)COCC2 ZINC000631243814 352035637 /nfs/dbraw/zinc/03/56/37/352035637.db2.gz PVRYJGOEYXGUOJ-IRXDYDNUSA-N 2 1 286.419 2.476 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(O)(CC)CC2)[C@@H](C)C1 ZINC000678549463 539880090 /nfs/dbraw/zinc/88/00/90/539880090.db2.gz WLGDFAMNJNGUQA-UIDBIOKJSA-N 2 1 268.445 2.390 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CO)CCCCC2)[C@H](C)C1 ZINC000678595507 539893352 /nfs/dbraw/zinc/89/33/52/539893352.db2.gz BACUBGLVBPOWMD-CABCVRRESA-N 2 1 268.445 2.249 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)C[C@@H]2CCC[N@H+](C)C2)c1C ZINC000152346086 188011457 /nfs/dbraw/zinc/01/14/57/188011457.db2.gz PACQMFIDPXZZRI-OAHLLOKOSA-N 2 1 291.439 2.481 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000152346086 188011461 /nfs/dbraw/zinc/01/14/61/188011461.db2.gz PACQMFIDPXZZRI-OAHLLOKOSA-N 2 1 291.439 2.481 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC(OCC2CC2)CC1 ZINC000569351863 299198225 /nfs/dbraw/zinc/19/82/25/299198225.db2.gz PYMSJOUDASIZAW-UHFFFAOYSA-N 2 1 277.412 2.244 20 0 CEADMP CC1CC[NH+](CCC[NH2+]Cc2cncc(F)c2)CC1 ZINC000494611477 290983180 /nfs/dbraw/zinc/98/31/80/290983180.db2.gz CGHWIBKIZYFDEE-UHFFFAOYSA-N 2 1 265.376 2.432 20 0 CEADMP COc1cccc(OCC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000154180522 188127850 /nfs/dbraw/zinc/12/78/50/188127850.db2.gz RBPTWLUXBBZBKG-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP COc1cccc(OCC[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000154180522 188127852 /nfs/dbraw/zinc/12/78/52/188127852.db2.gz RBPTWLUXBBZBKG-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP COc1cccc(OCC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000154180522 188127853 /nfs/dbraw/zinc/12/78/53/188127853.db2.gz RBPTWLUXBBZBKG-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CC[C@@H]1C[N@@H+](CCc2ccc(OC)cc2)CC[C@H]1[NH3+] ZINC000251620263 539981378 /nfs/dbraw/zinc/98/13/78/539981378.db2.gz DZKURYXZMNYYOW-GDBMZVCRSA-N 2 1 262.397 2.297 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1cccc(Cl)c1 ZINC000131765038 366087006 /nfs/dbraw/zinc/08/70/06/366087006.db2.gz JVHXXYPSIKTJSD-VXGBXAGGSA-N 2 1 268.788 2.388 20 0 CEADMP Cc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000156264668 188252135 /nfs/dbraw/zinc/25/21/35/188252135.db2.gz OHZUQWUVYFGVEM-HUUCEWRRSA-N 2 1 262.397 2.446 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cccc(OC)c2OC)CC[C@H]1[NH3+] ZINC000251833962 539992419 /nfs/dbraw/zinc/99/24/19/539992419.db2.gz QEVAYRLWBYDWEE-TZMCWYRMSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc(OC)c2OC)CC[C@H]1[NH3+] ZINC000251833962 539992422 /nfs/dbraw/zinc/99/24/22/539992422.db2.gz QEVAYRLWBYDWEE-TZMCWYRMSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@H]1[NH3+] ZINC000251925868 539994702 /nfs/dbraw/zinc/99/47/02/539994702.db2.gz YUXWNQVNDAZJLA-NVXWUHKLSA-N 2 1 284.407 2.432 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c[nH]nc4c3)C2)C1 ZINC000292686040 198375835 /nfs/dbraw/zinc/37/58/35/198375835.db2.gz AYOQMXGVQSFJLF-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c[nH]nc4c3)C2)C1 ZINC000292686040 198375836 /nfs/dbraw/zinc/37/58/36/198375836.db2.gz AYOQMXGVQSFJLF-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4c[nH]nc4c3)C2)C1 ZINC000292686040 198375837 /nfs/dbraw/zinc/37/58/37/198375837.db2.gz AYOQMXGVQSFJLF-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)C1 ZINC000292686040 198375838 /nfs/dbraw/zinc/37/58/38/198375838.db2.gz AYOQMXGVQSFJLF-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCSC2)C1 ZINC000494934542 291006311 /nfs/dbraw/zinc/00/63/11/291006311.db2.gz GFYSKJNLOZVYKX-KBPBESRZSA-N 2 1 256.459 2.403 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000494934542 291006313 /nfs/dbraw/zinc/00/63/13/291006313.db2.gz GFYSKJNLOZVYKX-KBPBESRZSA-N 2 1 256.459 2.403 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000494934542 291006316 /nfs/dbraw/zinc/00/63/16/291006316.db2.gz GFYSKJNLOZVYKX-KBPBESRZSA-N 2 1 256.459 2.403 20 0 CEADMP C[N@@H+](C/C=C/c1ccncc1)CC1CC[NH+](C)CC1 ZINC000494977584 291009196 /nfs/dbraw/zinc/00/91/96/291009196.db2.gz OQOXWKDQRRZMJG-ONEGZZNKSA-N 2 1 259.397 2.368 20 0 CEADMP CC[C@H](C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000337309301 366138696 /nfs/dbraw/zinc/13/86/96/366138696.db2.gz YZFASWXBSFTKFA-HRCADAONSA-N 2 1 298.471 2.375 20 0 CEADMP CC[C@H](C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000337309301 366138703 /nfs/dbraw/zinc/13/87/03/366138703.db2.gz YZFASWXBSFTKFA-HRCADAONSA-N 2 1 298.471 2.375 20 0 CEADMP COc1cccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1F ZINC000165734799 540015337 /nfs/dbraw/zinc/01/53/37/540015337.db2.gz CBMOFCHJNFDDLV-RYUDHWBXSA-N 2 1 266.360 2.394 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1F ZINC000165734799 540015341 /nfs/dbraw/zinc/01/53/41/540015341.db2.gz CBMOFCHJNFDDLV-RYUDHWBXSA-N 2 1 266.360 2.394 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495086717 291016640 /nfs/dbraw/zinc/01/66/40/291016640.db2.gz AVALEVCQXDRMDF-LSDHHAIUSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495086717 291016643 /nfs/dbraw/zinc/01/66/43/291016643.db2.gz AVALEVCQXDRMDF-LSDHHAIUSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H]1CSC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000310206757 291030827 /nfs/dbraw/zinc/03/08/27/291030827.db2.gz CZLIAYUNPSPWMK-APYLGABCSA-N 2 1 254.443 2.343 20 0 CEADMP C[C@H]1CSC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000310206757 291030830 /nfs/dbraw/zinc/03/08/30/291030830.db2.gz CZLIAYUNPSPWMK-APYLGABCSA-N 2 1 254.443 2.343 20 0 CEADMP CO[C@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000451555728 283033781 /nfs/dbraw/zinc/03/37/81/283033781.db2.gz CBNBJZCBKGTYBM-ZFWWWQNUSA-N 2 1 265.401 2.329 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000451555728 283033785 /nfs/dbraw/zinc/03/37/85/283033785.db2.gz CBNBJZCBKGTYBM-ZFWWWQNUSA-N 2 1 265.401 2.329 20 0 CEADMP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000451587116 283042576 /nfs/dbraw/zinc/04/25/76/283042576.db2.gz KQMUMOIBTAJUIH-CABCVRRESA-N 2 1 293.411 2.293 20 0 CEADMP CO[C@@H]1CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000451631451 283057844 /nfs/dbraw/zinc/05/78/44/283057844.db2.gz LJIJQJMCPKZUHA-ZIAGYGMSSA-N 2 1 251.374 2.129 20 0 CEADMP COC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271856699 191371140 /nfs/dbraw/zinc/37/11/40/191371140.db2.gz XPHSEYIFZJKAJF-HOCLYGCPSA-N 2 1 290.407 2.050 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000271857759 191371436 /nfs/dbraw/zinc/37/14/36/191371436.db2.gz VICFJZKAONJKIE-UHFFFAOYSA-N 2 1 270.376 2.314 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOCc2ccccc2)CC[C@H]1[NH3+] ZINC000381077249 540138325 /nfs/dbraw/zinc/13/83/25/540138325.db2.gz ROXLNAWXUIUELD-HZPDHXFCSA-N 2 1 262.397 2.262 20 0 CEADMP COC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000495692758 291066600 /nfs/dbraw/zinc/06/66/00/291066600.db2.gz XHNFYRGBXXUKMY-WFASDCNBSA-N 2 1 291.395 2.295 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000570077126 299236453 /nfs/dbraw/zinc/23/64/53/299236453.db2.gz CGWZHBJTATXICT-LLVKDONJSA-N 2 1 254.349 2.485 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2C2CC2)[C@H]2CCC[C@@H]21 ZINC000353589442 283136980 /nfs/dbraw/zinc/13/69/80/283136980.db2.gz GLRGSPZSIPITFA-MHORFTMASA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@H]2CCC[C@@H]21 ZINC000353589442 283136981 /nfs/dbraw/zinc/13/69/81/283136981.db2.gz GLRGSPZSIPITFA-MHORFTMASA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+]2C2CC2)[C@H]2CCC[C@@H]21 ZINC000353589442 283136982 /nfs/dbraw/zinc/13/69/82/283136982.db2.gz GLRGSPZSIPITFA-MHORFTMASA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)[C@H]2CCC[C@@H]21 ZINC000353589442 283136983 /nfs/dbraw/zinc/13/69/83/283136983.db2.gz GLRGSPZSIPITFA-MHORFTMASA-N 2 1 291.483 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)[C@H]2CCC[C@@H]21 ZINC000353589442 283136984 /nfs/dbraw/zinc/13/69/84/283136984.db2.gz GLRGSPZSIPITFA-MHORFTMASA-N 2 1 291.483 2.466 20 0 CEADMP O[C@H]([C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1)C(F)(F)F ZINC000451891228 283135960 /nfs/dbraw/zinc/13/59/60/283135960.db2.gz OBHPKAPSEFDJGO-QWHCGFSZSA-N 2 1 294.361 2.108 20 0 CEADMP O[C@H]([C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1)C(F)(F)F ZINC000451891228 283135963 /nfs/dbraw/zinc/13/59/63/283135963.db2.gz OBHPKAPSEFDJGO-QWHCGFSZSA-N 2 1 294.361 2.108 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H](CO)c1sccc1C ZINC000338276284 366267690 /nfs/dbraw/zinc/26/76/90/366267690.db2.gz ATVNFWBTBFXNFO-CYBMUJFWSA-N 2 1 270.442 2.411 20 0 CEADMP C[N@@H+](CCO)C1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000338303242 366284769 /nfs/dbraw/zinc/28/47/69/366284769.db2.gz DLPMYCHCMAUHBL-CYBMUJFWSA-N 2 1 290.398 2.200 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000353485425 283179242 /nfs/dbraw/zinc/17/92/42/283179242.db2.gz TUIWIAFTQICGBH-IUDNXUCKSA-N 2 1 283.460 2.144 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000353485425 283179245 /nfs/dbraw/zinc/17/92/45/283179245.db2.gz TUIWIAFTQICGBH-IUDNXUCKSA-N 2 1 283.460 2.144 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](OC)C2)C1 ZINC000684371370 540253626 /nfs/dbraw/zinc/25/36/26/540253626.db2.gz DHPWPTVOBAXSLJ-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC000252187933 297283136 /nfs/dbraw/zinc/28/31/36/297283136.db2.gz UOPKQQQVZOVUEJ-WQGXVZNYSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000252187933 297283139 /nfs/dbraw/zinc/28/31/39/297283139.db2.gz UOPKQQQVZOVUEJ-WQGXVZNYSA-N 2 1 252.402 2.159 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000353064085 283187605 /nfs/dbraw/zinc/18/76/05/283187605.db2.gz WRXUPNHEMWQBRQ-SOUVJXGZSA-N 2 1 267.461 2.322 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000353064085 283187606 /nfs/dbraw/zinc/18/76/06/283187606.db2.gz WRXUPNHEMWQBRQ-SOUVJXGZSA-N 2 1 267.461 2.322 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000353064085 283187607 /nfs/dbraw/zinc/18/76/07/283187607.db2.gz WRXUPNHEMWQBRQ-SOUVJXGZSA-N 2 1 267.461 2.322 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](CC1CCC1)[C@H](C)CO ZINC000338378813 366327804 /nfs/dbraw/zinc/32/78/04/366327804.db2.gz UMAJIBFQDPDBIT-CQSZACIVSA-N 2 1 256.434 2.201 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1F ZINC000134409112 366317645 /nfs/dbraw/zinc/31/76/45/366317645.db2.gz XKCRWQXSGAGXPX-FZMZJTMJSA-N 2 1 266.360 2.264 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1F ZINC000134409112 366317654 /nfs/dbraw/zinc/31/76/54/366317654.db2.gz XKCRWQXSGAGXPX-FZMZJTMJSA-N 2 1 266.360 2.264 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2C2CC2)[C@H](C)C1 ZINC000570273786 299250560 /nfs/dbraw/zinc/25/05/60/299250560.db2.gz XIQWGFFZDWXSBH-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@H](C)C1 ZINC000570273786 299250563 /nfs/dbraw/zinc/25/05/63/299250563.db2.gz XIQWGFFZDWXSBH-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+]2C2CC2)[C@H](C)C1 ZINC000570273786 299250565 /nfs/dbraw/zinc/25/05/65/299250565.db2.gz XIQWGFFZDWXSBH-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)[C@H](C)C1 ZINC000570273786 299250569 /nfs/dbraw/zinc/25/05/69/299250569.db2.gz XIQWGFFZDWXSBH-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)[C@H](C)C1 ZINC000570273786 299250572 /nfs/dbraw/zinc/25/05/72/299250572.db2.gz XIQWGFFZDWXSBH-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH2+]CCCNc1[nH+]ccc2cc(OC)c(F)cc21 ZINC000570552297 299264420 /nfs/dbraw/zinc/26/44/20/299264420.db2.gz GIAFGXDICPIMDN-UHFFFAOYSA-N 2 1 277.343 2.216 20 0 CEADMP CC(=O)Nc1cccc(CN[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000155491763 540297556 /nfs/dbraw/zinc/29/75/56/540297556.db2.gz KCNXEUZKIJIGPS-LRDDRELGSA-N 2 1 287.407 2.360 20 0 CEADMP CC(=O)Nc1cccc(CN[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000155491763 540297560 /nfs/dbraw/zinc/29/75/60/540297560.db2.gz KCNXEUZKIJIGPS-LRDDRELGSA-N 2 1 287.407 2.360 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ncc[nH]1 ZINC000353433328 540314643 /nfs/dbraw/zinc/31/46/43/540314643.db2.gz FVZWUMCHVSNPEK-GFCCVEGCSA-N 2 1 258.369 2.322 20 0 CEADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000353515218 540316158 /nfs/dbraw/zinc/31/61/58/540316158.db2.gz HRXXVOLDBDZBBB-JKSUJKDBSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000496245830 291121198 /nfs/dbraw/zinc/12/11/98/291121198.db2.gz PNLVHJUASYOIHS-MJBXVCDLSA-N 2 1 297.443 2.068 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000496245830 291121200 /nfs/dbraw/zinc/12/12/00/291121200.db2.gz PNLVHJUASYOIHS-MJBXVCDLSA-N 2 1 297.443 2.068 20 0 CEADMP CCOC(=O)N[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)CC(C)C ZINC000496243251 291121332 /nfs/dbraw/zinc/12/13/32/291121332.db2.gz FXUASDRGOIRKJS-ILXRZTDVSA-N 2 1 299.459 2.267 20 0 CEADMP COC(=O)Nc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000496264640 291123433 /nfs/dbraw/zinc/12/34/33/291123433.db2.gz NDLTWKJVDQQRIK-WFASDCNBSA-N 2 1 291.395 2.138 20 0 CEADMP Cc1cccn2c(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cnc12 ZINC000336224101 213051382 /nfs/dbraw/zinc/05/13/82/213051382.db2.gz AAOBPUYPFAJHOL-KGLIPLIRSA-N 2 1 272.396 2.202 20 0 CEADMP Cc1cccn2c(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cnc12 ZINC000336224101 213051384 /nfs/dbraw/zinc/05/13/84/213051384.db2.gz AAOBPUYPFAJHOL-KGLIPLIRSA-N 2 1 272.396 2.202 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414315246 236335269 /nfs/dbraw/zinc/33/52/69/236335269.db2.gz FRZUURXEZFIOGK-UHFFFAOYSA-N 2 1 295.289 2.303 20 0 CEADMP Cc1occc1CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000414442600 236365115 /nfs/dbraw/zinc/36/51/15/236365115.db2.gz YLASAPXNJKRQLP-CYBMUJFWSA-N 2 1 266.385 2.179 20 0 CEADMP Cc1occc1C[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000414442600 236365117 /nfs/dbraw/zinc/36/51/17/236365117.db2.gz YLASAPXNJKRQLP-CYBMUJFWSA-N 2 1 266.385 2.179 20 0 CEADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000294728952 199155329 /nfs/dbraw/zinc/15/53/29/199155329.db2.gz BMCFQCLUAIUVKA-UYTYNIKBSA-N 2 1 286.419 2.010 20 0 CEADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000294728950 199155552 /nfs/dbraw/zinc/15/55/52/199155552.db2.gz BMCFQCLUAIUVKA-IECFSIQFSA-N 2 1 286.419 2.010 20 0 CEADMP COCCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000079436100 363599975 /nfs/dbraw/zinc/59/99/75/363599975.db2.gz GAKIGMLZIKWSCL-KRWDZBQOSA-N 2 1 298.471 2.237 20 0 CEADMP COCCOCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000079436100 363599979 /nfs/dbraw/zinc/59/99/79/363599979.db2.gz GAKIGMLZIKWSCL-KRWDZBQOSA-N 2 1 298.471 2.237 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)OC ZINC000294757938 199168927 /nfs/dbraw/zinc/16/89/27/199168927.db2.gz IVJRLRLBIUHFKQ-WFASDCNBSA-N 2 1 265.401 2.298 20 0 CEADMP C[N@@H+](C[C@H](O)CN[C@@H]1CCCc2c(F)cccc21)C1CC1 ZINC000577722590 366387266 /nfs/dbraw/zinc/38/72/66/366387266.db2.gz VICUNJOHHKGPER-CXAGYDPISA-N 2 1 292.398 2.248 20 0 CEADMP CN(C[C@H](O)C[NH2+][C@@H]1CCCc2c(F)cccc21)C1CC1 ZINC000577722590 366387277 /nfs/dbraw/zinc/38/72/77/366387277.db2.gz VICUNJOHHKGPER-CXAGYDPISA-N 2 1 292.398 2.248 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000577862147 366409041 /nfs/dbraw/zinc/40/90/41/366409041.db2.gz YCLIPRQZHWNYLG-HZPDHXFCSA-N 2 1 259.397 2.355 20 0 CEADMP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000415039894 236606456 /nfs/dbraw/zinc/60/64/56/236606456.db2.gz OPFQNYPHDUWWEY-JSGCOSHPSA-N 2 1 270.380 2.294 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1 ZINC000578284899 366470287 /nfs/dbraw/zinc/47/02/87/366470287.db2.gz KEPBSBONZJINEO-DLBZAZTESA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000578284899 366470291 /nfs/dbraw/zinc/47/02/91/366470291.db2.gz KEPBSBONZJINEO-DLBZAZTESA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000578284899 366470293 /nfs/dbraw/zinc/47/02/93/366470293.db2.gz KEPBSBONZJINEO-DLBZAZTESA-N 2 1 276.424 2.006 20 0 CEADMP CC[C@H]1CCC[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000578271794 366470141 /nfs/dbraw/zinc/47/01/41/366470141.db2.gz GTXMGPCEOKWTRC-JKSUJKDBSA-N 2 1 267.461 2.182 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)no1 ZINC000136092200 366493510 /nfs/dbraw/zinc/49/35/10/366493510.db2.gz SWJDNASWQPQBIO-SMDDNHRTSA-N 2 1 260.341 2.263 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)no1 ZINC000136092200 366493514 /nfs/dbraw/zinc/49/35/14/366493514.db2.gz SWJDNASWQPQBIO-SMDDNHRTSA-N 2 1 260.341 2.263 20 0 CEADMP Cc1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)o1 ZINC000136219463 366503925 /nfs/dbraw/zinc/50/39/25/366503925.db2.gz FLYWGXHHDVTFHD-UHFFFAOYSA-N 2 1 289.379 2.213 20 0 CEADMP CCc1nc(NCCCCC[NH+]2CCCC2)cc(C)[nH+]1 ZINC000338763998 366508841 /nfs/dbraw/zinc/50/88/41/366508841.db2.gz XINIQBXBZOATLV-UHFFFAOYSA-N 2 1 276.428 2.447 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2n1 ZINC000080121153 363644966 /nfs/dbraw/zinc/64/49/66/363644966.db2.gz RRQJKUVIGWUKMH-GASCZTMLSA-N 2 1 267.376 2.194 20 0 CEADMP C[C@H](CO)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723420 540492943 /nfs/dbraw/zinc/49/29/43/540492943.db2.gz XGQDFNKHQRNBMO-FUHWJXTLSA-N 2 1 288.435 2.213 20 0 CEADMP C[C@H](CO)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671723420 540492945 /nfs/dbraw/zinc/49/29/45/540492945.db2.gz XGQDFNKHQRNBMO-FUHWJXTLSA-N 2 1 288.435 2.213 20 0 CEADMP C[C@H](CO)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723420 540492949 /nfs/dbraw/zinc/49/29/49/540492949.db2.gz XGQDFNKHQRNBMO-FUHWJXTLSA-N 2 1 288.435 2.213 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000671739118 540497138 /nfs/dbraw/zinc/49/71/38/540497138.db2.gz NWRUFYWWWJRQFH-JTQLQIEISA-N 2 1 263.341 2.136 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671756390 540502995 /nfs/dbraw/zinc/50/29/95/540502995.db2.gz SIZQSKKQTVOPQO-ZYHUDNBSSA-N 2 1 298.346 2.396 20 0 CEADMP CCOC[C@@H]1CCC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000667640249 540517125 /nfs/dbraw/zinc/51/71/25/540517125.db2.gz OMUMIDUAFBSLEB-CYBMUJFWSA-N 2 1 263.385 2.078 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccnn3CC3CC3)CC[C@@H]21 ZINC000667705531 540522714 /nfs/dbraw/zinc/52/27/14/540522714.db2.gz FWUYRWDTLYVZBI-WBVHZDCISA-N 2 1 288.439 2.209 20 0 CEADMP COCCc1cc[nH+]c(N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000671766883 540507236 /nfs/dbraw/zinc/50/72/36/540507236.db2.gz ZUZBAIPBPGNKNF-CYBMUJFWSA-N 2 1 277.412 2.413 20 0 CEADMP CO[C@]1(C(F)(F)F)CCCN(Cc2c[nH+]c(C)n2C)C1 ZINC000668030293 540555858 /nfs/dbraw/zinc/55/58/58/540555858.db2.gz OQOHHUQGBOWART-GFCCVEGCSA-N 2 1 291.317 2.272 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)CCOCC1 ZINC000453111424 283476122 /nfs/dbraw/zinc/47/61/22/283476122.db2.gz RYBTXGKFRIBPQP-KBPBESRZSA-N 2 1 295.427 2.001 20 0 CEADMP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000578965878 366571556 /nfs/dbraw/zinc/57/15/56/366571556.db2.gz IVFMWAVDSWCSHU-CYBMUJFWSA-N 2 1 285.391 2.333 20 0 CEADMP CCO[C@H]1C[C@@H]([N@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000579022569 366582974 /nfs/dbraw/zinc/58/29/74/366582974.db2.gz FPNFBPHKQLMAGJ-CABCVRRESA-N 2 1 279.428 2.488 20 0 CEADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000579022569 366582985 /nfs/dbraw/zinc/58/29/85/366582985.db2.gz FPNFBPHKQLMAGJ-CABCVRRESA-N 2 1 279.428 2.488 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(N2CCCC2=O)c1 ZINC000151935095 366678091 /nfs/dbraw/zinc/67/80/91/366678091.db2.gz SIKFDKNPCFFKAI-CQSZACIVSA-N 2 1 289.423 2.416 20 0 CEADMP COc1ccccc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298334495 200398108 /nfs/dbraw/zinc/39/81/08/200398108.db2.gz IYIDNEVTWBDERN-UHFFFAOYSA-N 2 1 274.408 2.454 20 0 CEADMP Clc1c[nH+]ccc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000674243934 540734644 /nfs/dbraw/zinc/73/46/44/540734644.db2.gz ZVUBQMZLJPKSOA-UHFFFAOYSA-N 2 1 274.755 2.457 20 0 CEADMP CCC[NH+]1CCC(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000339159052 366682434 /nfs/dbraw/zinc/68/24/34/366682434.db2.gz GKKTXPZVBHHSOU-QLFBSQMISA-N 2 1 295.471 2.238 20 0 CEADMP C[NH+](CCOCC[N@H+](C)Cc1ccco1)Cc1ccco1 ZINC000178591453 189129144 /nfs/dbraw/zinc/12/91/44/189129144.db2.gz JVBZBQNTQDUSQB-UHFFFAOYSA-N 2 1 292.379 2.453 20 0 CEADMP COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(Cl)nc1 ZINC000179104164 189169926 /nfs/dbraw/zinc/16/99/26/189169926.db2.gz SHFIGUAUYUXBFK-LBPRGKRZSA-N 2 1 285.819 2.354 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000179104164 189169928 /nfs/dbraw/zinc/16/99/28/189169928.db2.gz SHFIGUAUYUXBFK-LBPRGKRZSA-N 2 1 285.819 2.354 20 0 CEADMP CC(C)[NH2+][C@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000675495589 540847021 /nfs/dbraw/zinc/84/70/21/540847021.db2.gz GKQVCCFMCNMNHJ-HOTGVXAUSA-N 2 1 267.461 2.323 20 0 CEADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCc1c[nH+]cn1C ZINC000675943749 540884625 /nfs/dbraw/zinc/88/46/25/540884625.db2.gz OQBDXLDULOFQFJ-CQSZACIVSA-N 2 1 289.354 2.387 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@H](C)C(C)(C)C)CC1 ZINC000675883447 540878382 /nfs/dbraw/zinc/87/83/82/540878382.db2.gz AZLFPCYPENKEMO-ZDUSSCGKSA-N 2 1 256.434 2.369 20 0 CEADMP CC[N@@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC000677189661 540990951 /nfs/dbraw/zinc/99/09/51/540990951.db2.gz AEMMXVHXBRVHLQ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC000677189661 540990955 /nfs/dbraw/zinc/99/09/55/540990955.db2.gz AEMMXVHXBRVHLQ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP Cn1cncc1CCC[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000579731215 366694203 /nfs/dbraw/zinc/69/42/03/366694203.db2.gz ZYKMKHWEDDVWMT-JKSUJKDBSA-N 2 1 289.423 2.386 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000579825057 366708454 /nfs/dbraw/zinc/70/84/54/366708454.db2.gz DSWBVLLGWLVRMD-GVDBMIGSSA-N 2 1 281.488 2.475 20 0 CEADMP COCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152886930 366719787 /nfs/dbraw/zinc/71/97/87/366719787.db2.gz IYYIJDZUMKTBDX-HNNXBMFYSA-N 2 1 291.439 2.103 20 0 CEADMP CC[C@H](C)C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000339409897 366698538 /nfs/dbraw/zinc/69/85/38/366698538.db2.gz ODBLDDQPUFOTFN-GJZGRUSLSA-N 2 1 290.455 2.410 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000342316378 216307541 /nfs/dbraw/zinc/30/75/41/216307541.db2.gz BXXYTFWNMOFMTO-AWEZNQCLSA-N 2 1 275.400 2.302 20 0 CEADMP COC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000181705134 189304710 /nfs/dbraw/zinc/30/47/10/189304710.db2.gz FEGLIYXTIZSKGX-CVEARBPZSA-N 2 1 262.397 2.448 20 0 CEADMP COC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000181705134 189304711 /nfs/dbraw/zinc/30/47/11/189304711.db2.gz FEGLIYXTIZSKGX-CVEARBPZSA-N 2 1 262.397 2.448 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000340109538 366774219 /nfs/dbraw/zinc/77/42/19/366774219.db2.gz SEKGRYQLOAWBNY-CZUORRHYSA-N 2 1 261.413 2.419 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)CCO2)CC1CC[NH+](C)CC1 ZINC000154790076 366789947 /nfs/dbraw/zinc/78/99/47/366789947.db2.gz CYOOKAMSYDIENT-UHFFFAOYSA-N 2 1 274.408 2.395 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000340227517 366809600 /nfs/dbraw/zinc/80/96/00/366809600.db2.gz ABIUNWNREQBNAX-VNHYZAJKSA-N 2 1 265.401 2.375 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](n2ccnc2)C1 ZINC000678076337 541077482 /nfs/dbraw/zinc/07/74/82/541077482.db2.gz XGZRATQGIDIUTN-HUUCEWRRSA-N 2 1 262.401 2.004 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](n2ccnc2)C1 ZINC000678076337 541077485 /nfs/dbraw/zinc/07/74/85/541077485.db2.gz XGZRATQGIDIUTN-HUUCEWRRSA-N 3 1 262.401 2.004 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](n2ccnc2)C1 ZINC000678076337 541077486 /nfs/dbraw/zinc/07/74/86/541077486.db2.gz XGZRATQGIDIUTN-HUUCEWRRSA-N 3 1 262.401 2.004 20 0 CEADMP Cc1[nH+]ccn1CCCCN1CCO[C@@H](C(F)(F)F)C1 ZINC000678076794 541077509 /nfs/dbraw/zinc/07/75/09/541077509.db2.gz DRPGYTVARFBFLM-GFCCVEGCSA-N 2 1 291.317 2.235 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cnn(C)c1 ZINC000581801624 366822986 /nfs/dbraw/zinc/82/29/86/366822986.db2.gz WIRIOGHGKJYCPC-STHQEUCWSA-N 2 1 288.439 2.224 20 0 CEADMP Cc1cncc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000184346582 189383653 /nfs/dbraw/zinc/38/36/53/189383653.db2.gz KNPODVWJGSIUJD-MRXNPFEDSA-N 2 1 290.455 2.068 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000678608700 541158261 /nfs/dbraw/zinc/15/82/61/541158261.db2.gz RMWXUNDKZVFMKJ-DLBZAZTESA-N 2 1 273.424 2.116 20 0 CEADMP Clc1ccc(OCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031993348 361723665 /nfs/dbraw/zinc/72/36/65/361723665.db2.gz FRLBECKCWKRSNE-OAHLLOKOSA-N 2 1 280.799 2.404 20 0 CEADMP Clc1ccc(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031993348 361723670 /nfs/dbraw/zinc/72/36/70/361723670.db2.gz FRLBECKCWKRSNE-OAHLLOKOSA-N 2 1 280.799 2.404 20 0 CEADMP C[C@H](CCCCO)[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000679338087 541259869 /nfs/dbraw/zinc/25/98/69/541259869.db2.gz BPMWCGGOYKWPOB-RBSFLKMASA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H](CCCCO)[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000679338087 541259873 /nfs/dbraw/zinc/25/98/73/541259873.db2.gz BPMWCGGOYKWPOB-RBSFLKMASA-N 2 1 256.434 2.248 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C12CCCC2 ZINC000085679041 363836003 /nfs/dbraw/zinc/83/60/03/363836003.db2.gz MSHWIXAXYDGPKP-HUUCEWRRSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)n1 ZINC000087771427 363869816 /nfs/dbraw/zinc/86/98/16/363869816.db2.gz GMXSZXBGLQHOIU-MNOVXSKESA-N 2 1 264.373 2.028 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)n1 ZINC000087771427 363869819 /nfs/dbraw/zinc/86/98/19/363869819.db2.gz GMXSZXBGLQHOIU-MNOVXSKESA-N 2 1 264.373 2.028 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163794 363880944 /nfs/dbraw/zinc/88/09/44/363880944.db2.gz PRXMSJFCKPKABY-GOOCMWNKSA-N 2 1 276.428 2.142 20 0 CEADMP COCc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000088555270 363908069 /nfs/dbraw/zinc/90/80/69/363908069.db2.gz ONSIFKQNDKZJOW-CJNGLKHVSA-N 2 1 262.397 2.392 20 0 CEADMP Cc1ncsc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000088869851 363926471 /nfs/dbraw/zinc/92/64/71/363926471.db2.gz NJVMUDYYIKKSAS-LBPRGKRZSA-N 2 1 253.415 2.271 20 0 CEADMP Cc1ncsc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000088869851 363926474 /nfs/dbraw/zinc/92/64/74/363926474.db2.gz NJVMUDYYIKKSAS-LBPRGKRZSA-N 2 1 253.415 2.271 20 0 CEADMP COCC[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594114 363981827 /nfs/dbraw/zinc/98/18/27/363981827.db2.gz MLRRDKZTRHGQKD-HNNXBMFYSA-N 2 1 284.444 2.036 20 0 CEADMP CC[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594245 363982189 /nfs/dbraw/zinc/98/21/89/363982189.db2.gz FUMXGSQJFXXWEF-CQSZACIVSA-N 2 1 254.418 2.410 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(C)C2=O)cc1 ZINC000090074707 364038824 /nfs/dbraw/zinc/03/88/24/364038824.db2.gz LHADSGQZZFAUDA-WBMJQRKESA-N 2 1 298.390 2.062 20 0 CEADMP CC(C)n1cncc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000090209223 364048489 /nfs/dbraw/zinc/04/84/89/364048489.db2.gz WVBWQMWJWFFATO-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N(C)C ZINC000093451462 364184459 /nfs/dbraw/zinc/18/44/59/364184459.db2.gz GXEBZIXNJNTQMH-WCXIOVBPSA-N 2 1 281.488 2.473 20 0 CEADMP COc1cc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)ccn1 ZINC000093516419 364197528 /nfs/dbraw/zinc/19/75/28/364197528.db2.gz SQDNOTOBYPXNSF-UKRRQHHQSA-N 2 1 277.412 2.491 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000093683457 364214735 /nfs/dbraw/zinc/21/47/35/364214735.db2.gz GTDBLVPYCYXRHQ-OAHLLOKOSA-N 2 1 289.423 2.403 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000093683457 364214740 /nfs/dbraw/zinc/21/47/40/364214740.db2.gz GTDBLVPYCYXRHQ-OAHLLOKOSA-N 2 1 289.423 2.403 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638798150 370758489 /nfs/dbraw/zinc/75/84/89/370758489.db2.gz BSXUKAFNUAOSEK-UNEWFSDZSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638798150 370758494 /nfs/dbraw/zinc/75/84/94/370758494.db2.gz BSXUKAFNUAOSEK-UNEWFSDZSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCOc3c(F)cccc3C2)CC[NH2+]1 ZINC000334817810 364274132 /nfs/dbraw/zinc/27/41/32/364274132.db2.gz KAWJUVXJMFYQKU-OLZOCXBDSA-N 2 1 278.371 2.408 20 0 CEADMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000093872922 364237119 /nfs/dbraw/zinc/23/71/19/364237119.db2.gz RTATXFAOQKPDKY-UHFFFAOYSA-N 2 1 266.385 2.121 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000356604724 370770639 /nfs/dbraw/zinc/77/06/39/370770639.db2.gz SNSPFFAKBAHPFW-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000356604724 370770640 /nfs/dbraw/zinc/77/06/40/370770640.db2.gz SNSPFFAKBAHPFW-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000356604724 370770641 /nfs/dbraw/zinc/77/06/41/370770641.db2.gz SNSPFFAKBAHPFW-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000094341237 364267541 /nfs/dbraw/zinc/26/75/41/364267541.db2.gz IZZSPSNFRXXTRW-CJNGLKHVSA-N 2 1 278.396 2.133 20 0 CEADMP C[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000094341266 364267586 /nfs/dbraw/zinc/26/75/86/364267586.db2.gz VFMFLWLMYMVRNH-DOMZBBRYSA-N 2 1 266.360 2.264 20 0 CEADMP C1CC2(C1)C[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CCO2 ZINC000094370506 364271794 /nfs/dbraw/zinc/27/17/94/364271794.db2.gz FSGYRDRKQQOHEF-ILXRZTDVSA-N 2 1 264.413 2.305 20 0 CEADMP C1CC2(C1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CCO2 ZINC000094370506 364271798 /nfs/dbraw/zinc/27/17/98/364271798.db2.gz FSGYRDRKQQOHEF-ILXRZTDVSA-N 2 1 264.413 2.305 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000094424209 364274110 /nfs/dbraw/zinc/27/41/10/364274110.db2.gz GUNYKYXTIBOZKP-OLZOCXBDSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)C2Cc3ccccc3C2)CC[NH2+]1 ZINC000334873957 364282582 /nfs/dbraw/zinc/28/25/82/364282582.db2.gz LSBIKQRGVXLENI-KGLIPLIRSA-N 2 1 258.409 2.474 20 0 CEADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)n1 ZINC000572083818 299343740 /nfs/dbraw/zinc/34/37/40/299343740.db2.gz ULJDIIOZBVLEPE-OLZOCXBDSA-N 2 1 287.411 2.265 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2OCCc3ccccc32)CC[N@H+]1C ZINC000158125845 366852003 /nfs/dbraw/zinc/85/20/03/366852003.db2.gz ZSBZUHZKQUJHLI-FRFSOERESA-N 2 1 274.408 2.373 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000335644345 364818232 /nfs/dbraw/zinc/81/82/32/364818232.db2.gz TYSOOKHFHNBQKN-VXLLPVPCSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000335750045 364928313 /nfs/dbraw/zinc/92/83/13/364928313.db2.gz YKHQSSWSIGRNFT-PWSUYJOCSA-N 2 1 276.409 2.307 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000335750045 364928315 /nfs/dbraw/zinc/92/83/15/364928315.db2.gz YKHQSSWSIGRNFT-PWSUYJOCSA-N 2 1 276.409 2.307 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCCCC2)CC1 ZINC000114453674 364944935 /nfs/dbraw/zinc/94/49/35/364944935.db2.gz UNBSCZKHMWAYBL-UHFFFAOYSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115481286 365009961 /nfs/dbraw/zinc/00/99/61/365009961.db2.gz IYKOLZLSYPISHY-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC000356648788 370784914 /nfs/dbraw/zinc/78/49/14/370784914.db2.gz PZTXMDJWBANWRR-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000356648788 370784920 /nfs/dbraw/zinc/78/49/20/370784920.db2.gz PZTXMDJWBANWRR-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000356648788 370784926 /nfs/dbraw/zinc/78/49/26/370784926.db2.gz PZTXMDJWBANWRR-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC000582221797 366879402 /nfs/dbraw/zinc/87/94/02/366879402.db2.gz MODYFQADHKMJAM-YJNKXOJESA-N 2 1 254.418 2.406 20 0 CEADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000275682863 193103682 /nfs/dbraw/zinc/10/36/82/193103682.db2.gz IEVTYMIHQICZNL-XIRDDKMYSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000275682863 193103684 /nfs/dbraw/zinc/10/36/84/193103684.db2.gz IEVTYMIHQICZNL-XIRDDKMYSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H]1C[C@@H](C[NH2+]Cc2cncn2C)C[N@@H+]1Cc1ccccc1 ZINC000120289753 365402423 /nfs/dbraw/zinc/40/24/23/365402423.db2.gz ANRIRDRSCYNSRW-RDJZCZTQSA-N 2 1 298.434 2.420 20 0 CEADMP C[C@H]1C[C@@H](C[NH2+]Cc2cncn2C)C[N@H+]1Cc1ccccc1 ZINC000120289753 365402427 /nfs/dbraw/zinc/40/24/27/365402427.db2.gz ANRIRDRSCYNSRW-RDJZCZTQSA-N 2 1 298.434 2.420 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340473897 366898506 /nfs/dbraw/zinc/89/85/06/366898506.db2.gz DYVAPNHELZWXEL-HZPDHXFCSA-N 3 1 267.461 2.182 20 0 CEADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340473897 366898516 /nfs/dbraw/zinc/89/85/16/366898516.db2.gz DYVAPNHELZWXEL-HZPDHXFCSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000582368134 366901802 /nfs/dbraw/zinc/90/18/02/366901802.db2.gz XJGRZMKPNSLGHA-GXFFZTMASA-N 2 1 297.349 2.105 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000340517936 366917529 /nfs/dbraw/zinc/91/75/29/366917529.db2.gz IESDOARSPFNNMU-QKPAOTATSA-N 2 1 278.440 2.266 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000340534454 366926150 /nfs/dbraw/zinc/92/61/50/366926150.db2.gz KPHGDSXIWRXVNP-KBPBESRZSA-N 2 1 264.417 2.428 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000340534454 366926154 /nfs/dbraw/zinc/92/61/54/366926154.db2.gz KPHGDSXIWRXVNP-KBPBESRZSA-N 2 1 264.417 2.428 20 0 CEADMP Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cn1 ZINC000680884647 541467967 /nfs/dbraw/zinc/46/79/67/541467967.db2.gz NNWQNXXQVKLXFV-KRWDZBQOSA-N 2 1 289.423 2.123 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000582733625 366951859 /nfs/dbraw/zinc/95/18/59/366951859.db2.gz JHRJWIJEUNGLSE-ILXRZTDVSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000582733625 366951865 /nfs/dbraw/zinc/95/18/65/366951865.db2.gz JHRJWIJEUNGLSE-ILXRZTDVSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000582733625 366951872 /nfs/dbraw/zinc/95/18/72/366951872.db2.gz JHRJWIJEUNGLSE-ILXRZTDVSA-N 2 1 270.461 2.446 20 0 CEADMP COc1ccccc1OCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583263779 367023989 /nfs/dbraw/zinc/02/39/89/367023989.db2.gz RSISCTXJEGPHGL-KRWDZBQOSA-N 2 1 290.407 2.150 20 0 CEADMP COc1ccccc1OCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583263779 367023997 /nfs/dbraw/zinc/02/39/97/367023997.db2.gz RSISCTXJEGPHGL-KRWDZBQOSA-N 2 1 290.407 2.150 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCOC2)C1 ZINC000583290251 367026382 /nfs/dbraw/zinc/02/63/82/367026382.db2.gz PHOBWEVQHOLCHB-RRFJBIMHSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)[C@H]1N(C[C@H](O)C[N@@H+](C)C(C)C)CC12CCC2 ZINC000583704585 367087369 /nfs/dbraw/zinc/08/73/69/367087369.db2.gz KYMLLUWYEPNYLU-HUUCEWRRSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[C@H]1[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC12CCC2 ZINC000583704585 367087374 /nfs/dbraw/zinc/08/73/74/367087374.db2.gz KYMLLUWYEPNYLU-HUUCEWRRSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[C@H]1[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC12CCC2 ZINC000583704585 367087379 /nfs/dbraw/zinc/08/73/79/367087379.db2.gz KYMLLUWYEPNYLU-HUUCEWRRSA-N 2 1 268.445 2.198 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CN1CC(C)(C)C1 ZINC000583881280 367110067 /nfs/dbraw/zinc/11/00/67/367110067.db2.gz XEJNGEIVKNWDIY-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1cnn([C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000162983929 367209846 /nfs/dbraw/zinc/20/98/46/367209846.db2.gz IVKNYMPTIPRPKU-HOTGVXAUSA-N 2 1 276.428 2.313 20 0 CEADMP Cc1cnn([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000162983929 367209849 /nfs/dbraw/zinc/20/98/49/367209849.db2.gz IVKNYMPTIPRPKU-HOTGVXAUSA-N 2 1 276.428 2.313 20 0 CEADMP Cc1cnn([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000162983929 367209852 /nfs/dbraw/zinc/20/98/52/367209852.db2.gz IVKNYMPTIPRPKU-HOTGVXAUSA-N 2 1 276.428 2.313 20 0 CEADMP CCCCNC(=O)[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245594931 370847406 /nfs/dbraw/zinc/84/74/06/370847406.db2.gz LIEBZZSGLASDCF-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCNC(=O)[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245594931 370847414 /nfs/dbraw/zinc/84/74/14/370847414.db2.gz LIEBZZSGLASDCF-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCNC(=O)[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245594931 370847421 /nfs/dbraw/zinc/84/74/21/370847421.db2.gz LIEBZZSGLASDCF-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCNc2ccccn2)[C@H](C)C1 ZINC000163805321 367266710 /nfs/dbraw/zinc/26/67/10/367266710.db2.gz GQTAVTXHAQIYIG-HUUCEWRRSA-N 2 1 276.428 2.204 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc(OC)c1 ZINC000163461041 367242468 /nfs/dbraw/zinc/24/24/68/367242468.db2.gz QTIACNHMVQYEGJ-JSGCOSHPSA-N 2 1 278.396 2.121 20 0 CEADMP CC[N@H+]1CC[C@H](CNCc2cncc(Br)c2)C1 ZINC000166873535 367330728 /nfs/dbraw/zinc/33/07/28/367330728.db2.gz WNVRHSCSIDAVNH-LLVKDONJSA-N 2 1 298.228 2.276 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000166873535 367330735 /nfs/dbraw/zinc/33/07/35/367330735.db2.gz WNVRHSCSIDAVNH-LLVKDONJSA-N 2 1 298.228 2.276 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000166873535 367330743 /nfs/dbraw/zinc/33/07/43/367330743.db2.gz WNVRHSCSIDAVNH-LLVKDONJSA-N 2 1 298.228 2.276 20 0 CEADMP CCC1([NH+](C)C)CCN(c2cc(CO)cc(C)[nH+]2)CC1 ZINC000631477814 367344870 /nfs/dbraw/zinc/34/48/70/367344870.db2.gz SZFHTSKNLYZDJX-UHFFFAOYSA-N 2 1 277.412 2.193 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000341902326 367378881 /nfs/dbraw/zinc/37/88/81/367378881.db2.gz SWKSBKQLYRXONL-AIANPOQGSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000341902326 367378889 /nfs/dbraw/zinc/37/88/89/367378889.db2.gz SWKSBKQLYRXONL-AIANPOQGSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000341902326 367378891 /nfs/dbraw/zinc/37/88/91/367378891.db2.gz SWKSBKQLYRXONL-AIANPOQGSA-N 2 1 279.472 2.322 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631569355 367407131 /nfs/dbraw/zinc/40/71/31/367407131.db2.gz INLOKUUZLMHSDQ-BBRMVZONSA-N 2 1 259.397 2.390 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC[N@@H+]1C ZINC000631587250 367422416 /nfs/dbraw/zinc/42/24/16/367422416.db2.gz GHYZCLIBRNKDLF-DMRZNYOFSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC[N@H+]1C ZINC000631587250 367422419 /nfs/dbraw/zinc/42/24/19/367422419.db2.gz GHYZCLIBRNKDLF-DMRZNYOFSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]([NH2+]CC1(CO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681390937 541544992 /nfs/dbraw/zinc/54/49/92/541544992.db2.gz RGRVQGYYUAPKDK-WBVHZDCISA-N 2 1 288.435 2.259 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631653702 367469039 /nfs/dbraw/zinc/46/90/39/367469039.db2.gz ZHPVBTNOSGWPLC-VGWMRTNUSA-N 2 1 278.440 2.266 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631653701 367469152 /nfs/dbraw/zinc/46/91/52/367469152.db2.gz ZHPVBTNOSGWPLC-UGUYLWEFSA-N 2 1 278.440 2.266 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000171128914 367484953 /nfs/dbraw/zinc/48/49/53/367484953.db2.gz MHRPYOUERAILNE-UHFFFAOYSA-N 2 1 275.396 2.226 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)[C@@H](C)O1 ZINC000631702161 367493368 /nfs/dbraw/zinc/49/33/68/367493368.db2.gz JCNZEJXYVCNEOJ-LWGJEFJTSA-N 2 1 252.402 2.015 20 0 CEADMP Cc1ccc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)c(C[NH+](C)C)c1 ZINC000342590398 367438125 /nfs/dbraw/zinc/43/81/25/367438125.db2.gz SGUAIHJUGGHQHV-DZGCQCFKSA-N 2 1 289.423 2.193 20 0 CEADMP C[C@@H]1C[N@H+](CCc2cccc3c2OC(F)(F)O3)CC[C@H]1[NH3+] ZINC000631821547 367559301 /nfs/dbraw/zinc/55/93/01/367559301.db2.gz AYHBAVHICZZGDP-ZYHUDNBSSA-N 2 1 298.333 2.220 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2cccc3c2OC(F)(F)O3)CC[C@H]1[NH3+] ZINC000631821547 367559305 /nfs/dbraw/zinc/55/93/05/367559305.db2.gz AYHBAVHICZZGDP-ZYHUDNBSSA-N 2 1 298.333 2.220 20 0 CEADMP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c2c(c1)COCC2 ZINC000631826471 367564290 /nfs/dbraw/zinc/56/42/90/367564290.db2.gz OENQLZVXVDMWDL-GASCZTMLSA-N 2 1 286.419 2.191 20 0 CEADMP OCC[NH2+]C1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000631862115 367598676 /nfs/dbraw/zinc/59/86/76/367598676.db2.gz FJUJNJOTMRUVNU-KRWDZBQOSA-N 2 1 292.398 2.249 20 0 CEADMP FC(F)(F)COCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886623 367608753 /nfs/dbraw/zinc/60/87/53/367608753.db2.gz IKYKAIUPSHQASK-VXGBXAGGSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886623 367608760 /nfs/dbraw/zinc/60/87/60/367608760.db2.gz IKYKAIUPSHQASK-VXGBXAGGSA-N 2 1 280.334 2.029 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890823 367611729 /nfs/dbraw/zinc/61/17/29/367611729.db2.gz VVKLOEYRZKJICT-YOEHRIQHSA-N 2 1 273.424 2.327 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1nccs1 ZINC000358043114 370882250 /nfs/dbraw/zinc/88/22/50/370882250.db2.gz HBPGPISPFGILNH-RYUDHWBXSA-N 2 1 253.415 2.006 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC[N@H+]1C ZINC000632432256 367795681 /nfs/dbraw/zinc/79/56/81/367795681.db2.gz ISDJPBOMQUDPFP-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccn2c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cnc2c1 ZINC000343609254 367913959 /nfs/dbraw/zinc/91/39/59/367913959.db2.gz GTHZEYSZTNBTEF-GJZGRUSLSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1ccn2c(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cnc2c1 ZINC000343609254 367913965 /nfs/dbraw/zinc/91/39/65/367913965.db2.gz GTHZEYSZTNBTEF-GJZGRUSLSA-N 2 1 284.407 2.359 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000344120676 368108546 /nfs/dbraw/zinc/10/85/46/368108546.db2.gz BTEBJBRYPAAWIN-GDBMZVCRSA-N 2 1 265.445 2.076 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000344730609 368133928 /nfs/dbraw/zinc/13/39/28/368133928.db2.gz YKXVKNWIBRLWNH-PBHICJAKSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)Cn2cccn2)C1 ZINC000345248665 368207960 /nfs/dbraw/zinc/20/79/60/368207960.db2.gz OKXBEHGZYKVVPP-CVEARBPZSA-N 2 1 278.444 2.229 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccoc2)CC1 ZINC000178005799 368284114 /nfs/dbraw/zinc/28/41/14/368284114.db2.gz MAFLCPKDMFGNRN-HNNXBMFYSA-N 2 1 279.428 2.348 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000335490541 212166901 /nfs/dbraw/zinc/16/69/01/212166901.db2.gz FMUSYYZUAZBOCI-SMDDNHRTSA-N 2 1 292.814 2.465 20 0 CEADMP CCC1([NH+]2CCCC2)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000633953752 368469742 /nfs/dbraw/zinc/46/97/42/368469742.db2.gz PBUGGDASUZUDKV-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1(C)C ZINC000181733440 368488628 /nfs/dbraw/zinc/48/86/28/368488628.db2.gz XLBJRTWJDLHLTH-OWCLPIDISA-N 2 1 298.471 2.017 20 0 CEADMP CCc1cnc(C[NH+]2CCC(C[NH+](C)C)CC2)s1 ZINC000346152225 368563929 /nfs/dbraw/zinc/56/39/29/368563929.db2.gz ZKGWQYSAJMXLOX-UHFFFAOYSA-N 2 1 267.442 2.479 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)[C@H](C)C1 ZINC000346192511 368585888 /nfs/dbraw/zinc/58/58/88/368585888.db2.gz NLKKWISDVXNLQR-KFWWJZLASA-N 2 1 290.407 2.146 20 0 CEADMP C[C@H](CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCCC1 ZINC000346279996 368619128 /nfs/dbraw/zinc/61/91/28/368619128.db2.gz ULQNKLUMMUSMEL-ZACQAIPSSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCCCC1 ZINC000346279996 368619133 /nfs/dbraw/zinc/61/91/33/368619133.db2.gz ULQNKLUMMUSMEL-ZACQAIPSSA-N 3 1 279.472 2.467 20 0 CEADMP C[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCCC1 ZINC000346279996 368619136 /nfs/dbraw/zinc/61/91/36/368619136.db2.gz ULQNKLUMMUSMEL-ZACQAIPSSA-N 3 1 279.472 2.467 20 0 CEADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000183686256 368641462 /nfs/dbraw/zinc/64/14/62/368641462.db2.gz WVWJMEFSJJNXAY-LBPRGKRZSA-N 2 1 282.428 2.323 20 0 CEADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000346367639 368651733 /nfs/dbraw/zinc/65/17/33/368651733.db2.gz KGCNIZIINLVRFW-KLHDSHLOSA-N 2 1 266.429 2.408 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1(C[NH3+])CCCCC1 ZINC000638999376 370898532 /nfs/dbraw/zinc/89/85/32/370898532.db2.gz ZWXLFZBJQJYVPG-ZDUSSCGKSA-N 2 1 292.427 2.174 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358087662 370898667 /nfs/dbraw/zinc/89/86/67/370898667.db2.gz XNXAXOQHUTXICH-UPJWGTAASA-N 2 1 270.417 2.179 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358087662 370898671 /nfs/dbraw/zinc/89/86/71/370898671.db2.gz XNXAXOQHUTXICH-UPJWGTAASA-N 2 1 270.417 2.179 20 0 CEADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358149318 370924999 /nfs/dbraw/zinc/92/49/99/370924999.db2.gz YYDLBGDJHKDYMU-LRFDDAOPSA-N 2 1 294.826 2.400 20 0 CEADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358149318 370925001 /nfs/dbraw/zinc/92/50/01/370925001.db2.gz YYDLBGDJHKDYMU-LRFDDAOPSA-N 2 1 294.826 2.400 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)NC2)cc1 ZINC000358101396 370906245 /nfs/dbraw/zinc/90/62/45/370906245.db2.gz UMNXSLZWSJEFOL-IUODEOHRSA-N 2 1 298.390 2.110 20 0 CEADMP C[C@H]1C[C@H](N(CCC[NH3+])c2ccccc2F)CC[N@H+]1C ZINC000639037223 370916716 /nfs/dbraw/zinc/91/67/16/370916716.db2.gz GVSULUIXPZWRSI-UONOGXRCSA-N 2 1 279.403 2.464 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)[C@@H](C)C1 ZINC000246330410 370948404 /nfs/dbraw/zinc/94/84/04/370948404.db2.gz GCDNDSOORMNPFF-JSGCOSHPSA-N 2 1 297.830 2.434 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)s1 ZINC000346662214 368759091 /nfs/dbraw/zinc/75/90/91/368759091.db2.gz WKZYZTFUYVBYIU-NEPJUHHUSA-N 2 1 282.457 2.158 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)s1 ZINC000346662214 368759094 /nfs/dbraw/zinc/75/90/94/368759094.db2.gz WKZYZTFUYVBYIU-NEPJUHHUSA-N 2 1 282.457 2.158 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000346676811 368764676 /nfs/dbraw/zinc/76/46/76/368764676.db2.gz KPNOKUWPUIALMI-NEPJUHHUSA-N 2 1 276.409 2.103 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000185197640 368765642 /nfs/dbraw/zinc/76/56/42/368765642.db2.gz STKRQABKAIOVLZ-GJZGRUSLSA-N 2 1 286.460 2.136 20 0 CEADMP COCCCOc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000346693618 368776202 /nfs/dbraw/zinc/77/62/02/368776202.db2.gz OHNHOYNHPVDVPV-HOCLYGCPSA-N 2 1 292.423 2.271 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000246332356 370947516 /nfs/dbraw/zinc/94/75/16/370947516.db2.gz GEBRWVNBWPAXJM-RBGFHDKUSA-N 2 1 298.496 2.359 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346642410 368748181 /nfs/dbraw/zinc/74/81/81/368748181.db2.gz MBXAUWKBUIRDRI-NEPJUHHUSA-N 2 1 276.409 2.103 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346653440 368754705 /nfs/dbraw/zinc/75/47/05/368754705.db2.gz DOCOPBKLIGGFPR-MPCGPATOSA-N 2 1 260.381 2.378 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCOC(C)(C)C2)CCCO1 ZINC000634683698 368812770 /nfs/dbraw/zinc/81/27/70/368812770.db2.gz XZFLMOHISFNQPH-CABCVRRESA-N 2 1 284.444 2.035 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3ncccc23)CC[C@H]1[NH3+] ZINC000634687606 368815233 /nfs/dbraw/zinc/81/52/33/368815233.db2.gz RQGOOJZNTUDADJ-SWLSCSKDSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)O1 ZINC000634688362 368816941 /nfs/dbraw/zinc/81/69/41/368816941.db2.gz QISWHDVMSFJSRD-MCIONIFRSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)O1 ZINC000634688601 368817202 /nfs/dbraw/zinc/81/72/02/368817202.db2.gz XLXCYGHOIQAXCP-BMFZPTHFSA-N 2 1 266.429 2.266 20 0 CEADMP O[C@]1(C[NH2+][C@@H]2CC=CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634703859 368830779 /nfs/dbraw/zinc/83/07/79/368830779.db2.gz CCTTVUPZDZTPTB-MSOLQXFVSA-N 2 1 286.419 2.322 20 0 CEADMP O[C@]1(C[NH2+][C@@H]2CC=CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634703859 368830785 /nfs/dbraw/zinc/83/07/85/368830785.db2.gz CCTTVUPZDZTPTB-MSOLQXFVSA-N 2 1 286.419 2.322 20 0 CEADMP CCOCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666589 368840956 /nfs/dbraw/zinc/84/09/56/368840956.db2.gz GVGPJZJRDZKEKA-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346821599 368790121 /nfs/dbraw/zinc/79/01/21/368790121.db2.gz IWKUHPJTWXXDFD-JYJNAYRXSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@@H]1CC[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648381 368795585 /nfs/dbraw/zinc/79/55/85/368795585.db2.gz PUIRUHWOIBOWHH-IAGOWNOFSA-N 2 1 274.408 2.108 20 0 CEADMP CC[C@@H]1CC[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648381 368795589 /nfs/dbraw/zinc/79/55/89/368795589.db2.gz PUIRUHWOIBOWHH-IAGOWNOFSA-N 2 1 274.408 2.108 20 0 CEADMP CC[C@@H]1CC[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634648381 368795593 /nfs/dbraw/zinc/79/55/93/368795593.db2.gz PUIRUHWOIBOWHH-IAGOWNOFSA-N 2 1 274.408 2.108 20 0 CEADMP CC[C@@H]1CC[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634648381 368795596 /nfs/dbraw/zinc/79/55/96/368795596.db2.gz PUIRUHWOIBOWHH-IAGOWNOFSA-N 2 1 274.408 2.108 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]CCCC2CCCCC2)C1 ZINC000348263711 368974796 /nfs/dbraw/zinc/97/47/96/368974796.db2.gz UOBPNUPPIFSHKE-HNNXBMFYSA-N 2 1 254.418 2.003 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]CCCC2CCCCC2)C1 ZINC000348263711 368974800 /nfs/dbraw/zinc/97/48/00/368974800.db2.gz UOBPNUPPIFSHKE-HNNXBMFYSA-N 2 1 254.418 2.003 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991167 369019864 /nfs/dbraw/zinc/01/98/64/369019864.db2.gz SEGUKJXWDPULRV-UHFFFAOYSA-N 2 1 270.380 2.111 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991167 369019872 /nfs/dbraw/zinc/01/98/72/369019872.db2.gz SEGUKJXWDPULRV-UHFFFAOYSA-N 2 1 270.380 2.111 20 0 CEADMP Nc1ccc(-c2cccc(C[N@H+]3CC[C@H](C[NH3+])C3)n2)cc1 ZINC000634990890 369020272 /nfs/dbraw/zinc/02/02/72/369020272.db2.gz HGSOUIYOEMHLEQ-CYBMUJFWSA-N 2 1 282.391 2.111 20 0 CEADMP CCOC(=O)C[C@@](C)([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000186690569 369020826 /nfs/dbraw/zinc/02/08/26/369020826.db2.gz SJCLGBUJSFZFSR-GOEBONIOSA-N 2 1 284.444 2.428 20 0 CEADMP Fc1ccc(CC[NH2+]CC23CC(C2)C[NH2+]3)c(Cl)c1 ZINC000634995474 369025204 /nfs/dbraw/zinc/02/52/04/369025204.db2.gz GFLOIAFBULAXSO-UHFFFAOYSA-N 2 1 268.763 2.363 20 0 CEADMP Cc1ccccc1OCCC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995649 369025441 /nfs/dbraw/zinc/02/54/41/369025441.db2.gz LJHJPEUBFBTOKB-UHFFFAOYSA-N 2 1 260.381 2.106 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@H]2CCC[C@H]21 ZINC000635010922 369048778 /nfs/dbraw/zinc/04/87/78/369048778.db2.gz OHVMKJNZTMELNI-CEXWTWQISA-N 3 1 299.462 2.295 20 0 CEADMP CN1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@H]2CCC[C@H]21 ZINC000635010922 369048781 /nfs/dbraw/zinc/04/87/81/369048781.db2.gz OHVMKJNZTMELNI-CEXWTWQISA-N 2 1 299.462 2.295 20 0 CEADMP C[N@@H+]1CC[C@H](NCc2cccc3c2CC[NH2+]C3)[C@H]2CCC[C@H]21 ZINC000635010922 369048783 /nfs/dbraw/zinc/04/87/83/369048783.db2.gz OHVMKJNZTMELNI-CEXWTWQISA-N 2 1 299.462 2.295 20 0 CEADMP C[N@H+]1CC[C@H](NCc2cccc3c2CC[NH2+]C3)[C@H]2CCC[C@H]21 ZINC000635010922 369048786 /nfs/dbraw/zinc/04/87/86/369048786.db2.gz OHVMKJNZTMELNI-CEXWTWQISA-N 2 1 299.462 2.295 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000348415636 369039953 /nfs/dbraw/zinc/03/99/53/369039953.db2.gz QSUJECVQVHUEFH-IOASZLSFSA-N 2 1 296.842 2.346 20 0 CEADMP CO[C@@]1(C)CCCN(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348415162 369040111 /nfs/dbraw/zinc/04/01/11/369040111.db2.gz XLYXDZRESSMWCU-AWEZNQCLSA-N 2 1 283.441 2.206 20 0 CEADMP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccncn1 ZINC000635006141 369043203 /nfs/dbraw/zinc/04/32/03/369043203.db2.gz LBIJYRLUFSFIGC-ZFWWWQNUSA-N 2 1 270.380 2.087 20 0 CEADMP C[C@@H]1C[C@@H](NCC[C@@H]([NH3+])Cc2ccccc2)C[N@H+]1C1CC1 ZINC000635009071 369045746 /nfs/dbraw/zinc/04/57/46/369045746.db2.gz SSNZIIPGLNWXQD-DJIMGWMZSA-N 2 1 287.451 2.161 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)CN1C1CC1 ZINC000635009071 369045749 /nfs/dbraw/zinc/04/57/49/369045749.db2.gz SSNZIIPGLNWXQD-DJIMGWMZSA-N 2 1 287.451 2.161 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348286781 368985504 /nfs/dbraw/zinc/98/55/04/368985504.db2.gz GRPKCOJBBFUKDD-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CN(C)C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348286781 368985507 /nfs/dbraw/zinc/98/55/07/368985507.db2.gz GRPKCOJBBFUKDD-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CN(C)C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348286781 368985512 /nfs/dbraw/zinc/98/55/12/368985512.db2.gz GRPKCOJBBFUKDD-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000635013204 369051509 /nfs/dbraw/zinc/05/15/09/369051509.db2.gz DDXCSTCHLONMRC-OSAQELSMSA-N 2 1 282.815 2.146 20 0 CEADMP C[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[NH+](C)C ZINC000348695110 369123410 /nfs/dbraw/zinc/12/34/10/369123410.db2.gz IZXSROQBWHERRZ-RISCZKNCSA-N 2 1 297.830 2.009 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@H]12 ZINC000348751484 369142678 /nfs/dbraw/zinc/14/26/78/369142678.db2.gz RSFDDPFZCBEIFT-VNQPRFMTSA-N 2 1 262.372 2.427 20 0 CEADMP C[N@H+]1CC[C@@H](CC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000635548479 369214674 /nfs/dbraw/zinc/21/46/74/369214674.db2.gz RUGNUSHMROMJRP-INIZCTEOSA-N 2 1 295.471 2.101 20 0 CEADMP CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@H+]1C1CCCC1)[NH+](C)C ZINC000635556433 369218005 /nfs/dbraw/zinc/21/80/05/369218005.db2.gz OQHZRZAKBDWCTB-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000349064768 369234007 /nfs/dbraw/zinc/23/40/07/369234007.db2.gz WJMSRSKRTQXOPC-UHFFFAOYSA-N 2 1 269.477 2.380 20 0 CEADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000635604426 369242312 /nfs/dbraw/zinc/24/23/12/369242312.db2.gz FQTLPWXXSCTTSX-CYBMUJFWSA-N 2 1 294.443 2.099 20 0 CEADMP Cc1[nH+]ccn1CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC000635717578 369303641 /nfs/dbraw/zinc/30/36/41/369303641.db2.gz CBFQBUVTKUJZEY-UHFFFAOYSA-N 2 1 294.443 2.018 20 0 CEADMP Cc1[nH+]ccn1CCCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635717578 369303645 /nfs/dbraw/zinc/30/36/45/369303645.db2.gz CBFQBUVTKUJZEY-UHFFFAOYSA-N 2 1 294.443 2.018 20 0 CEADMP COCC(C)(C)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000349415288 369323865 /nfs/dbraw/zinc/32/38/65/369323865.db2.gz ITZIZYQMXJSBDA-UHFFFAOYSA-N 2 1 253.390 2.186 20 0 CEADMP COCC(C)(C)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000349415288 369323867 /nfs/dbraw/zinc/32/38/67/369323867.db2.gz ITZIZYQMXJSBDA-UHFFFAOYSA-N 2 1 253.390 2.186 20 0 CEADMP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1csc(C)n1 ZINC000349723364 369379074 /nfs/dbraw/zinc/37/90/74/369379074.db2.gz QXHXRCAFNAJWEW-LBPRGKRZSA-N 2 1 285.457 2.461 20 0 CEADMP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1csc(C)n1 ZINC000349723363 369379429 /nfs/dbraw/zinc/37/94/29/369379429.db2.gz QXHXRCAFNAJWEW-GFCCVEGCSA-N 2 1 285.457 2.461 20 0 CEADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635922009 369405769 /nfs/dbraw/zinc/40/57/69/369405769.db2.gz OFTIXLSYDPXUEZ-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1nccs1 ZINC000349835505 369417074 /nfs/dbraw/zinc/41/70/74/369417074.db2.gz PZGXPRCFSKGGTE-GRYCIOLGSA-N 2 1 253.415 2.176 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000246373293 370952091 /nfs/dbraw/zinc/95/20/91/370952091.db2.gz JLRGRCRMESQVGT-BARDWOONSA-N 2 1 270.461 2.348 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358214992 370953537 /nfs/dbraw/zinc/95/35/37/370953537.db2.gz CNXKXAIXVQRYNU-KBPBESRZSA-N 2 1 290.455 2.261 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358214992 370953540 /nfs/dbraw/zinc/95/35/40/370953540.db2.gz CNXKXAIXVQRYNU-KBPBESRZSA-N 2 1 290.455 2.261 20 0 CEADMP CCN(CCC[NH+](C)C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000276132918 193221768 /nfs/dbraw/zinc/22/17/68/193221768.db2.gz ACPSSINTFMTTKP-INIZCTEOSA-N 2 1 291.439 2.090 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)[C@@H](C)C1 ZINC000358258784 370977695 /nfs/dbraw/zinc/97/76/95/370977695.db2.gz VQOJYHFUZKYKAD-XJKSGUPXSA-N 2 1 288.439 2.216 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(Cc3nccs3)CC[C@H]21 ZINC000246538812 370975645 /nfs/dbraw/zinc/97/56/45/370975645.db2.gz JTFSVJMZTOQKCN-VXGBXAGGSA-N 2 1 251.399 2.059 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1C1CCCCC1)C1CC1 ZINC000351391082 369635002 /nfs/dbraw/zinc/63/50/02/369635002.db2.gz WHSPYMLDUJEQIU-IAGOWNOFSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1C1CCCCC1)C1CC1 ZINC000351391082 369635004 /nfs/dbraw/zinc/63/50/04/369635004.db2.gz WHSPYMLDUJEQIU-IAGOWNOFSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCCCC1)C1CC1 ZINC000351391082 369635007 /nfs/dbraw/zinc/63/50/07/369635007.db2.gz WHSPYMLDUJEQIU-IAGOWNOFSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCCCC1)C1CC1 ZINC000351391082 369635010 /nfs/dbraw/zinc/63/50/10/369635010.db2.gz WHSPYMLDUJEQIU-IAGOWNOFSA-N 2 1 280.456 2.486 20 0 CEADMP CCc1cccc(OCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000351497591 369638386 /nfs/dbraw/zinc/63/83/86/369638386.db2.gz UOVQNOOFHDCTML-UAGQMJEPSA-N 2 1 274.408 2.297 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192094118 369772029 /nfs/dbraw/zinc/77/20/29/369772029.db2.gz YPDRCBBGPHMXFB-UONOGXRCSA-N 2 1 291.439 2.126 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352487315 369752490 /nfs/dbraw/zinc/75/24/90/369752490.db2.gz CRIVFHDYXQAGJX-AWEZNQCLSA-N 2 1 286.423 2.319 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCO[C@@H](C)C2)C1 ZINC000352610184 369806584 /nfs/dbraw/zinc/80/65/84/369806584.db2.gz ZBWDDJBWCOTAIH-KKUMJFAQSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCO[C@@H](C)C2)C1 ZINC000352610184 369806589 /nfs/dbraw/zinc/80/65/89/369806589.db2.gz ZBWDDJBWCOTAIH-KKUMJFAQSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@@H](C)C2)C1 ZINC000352610184 369806594 /nfs/dbraw/zinc/80/65/94/369806594.db2.gz ZBWDDJBWCOTAIH-KKUMJFAQSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000192745277 369848614 /nfs/dbraw/zinc/84/86/14/369848614.db2.gz CPLGRBNUQRFFFO-CGTJXYLNSA-N 2 1 288.435 2.354 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352749070 369866651 /nfs/dbraw/zinc/86/66/51/369866651.db2.gz LHTHDIVDTBOJMX-SMDDNHRTSA-N 2 1 285.457 2.091 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)s1 ZINC000352755589 369868419 /nfs/dbraw/zinc/86/84/19/369868419.db2.gz MPOLYYFWMHJFCU-MCIONIFRSA-N 2 1 295.452 2.252 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CC2(C)COC2)C1 ZINC000352832686 369902470 /nfs/dbraw/zinc/90/24/70/369902470.db2.gz XGMGVJAHMNQVMK-AWEZNQCLSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@H](O)C[N@H+](C)C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000352850396 369913172 /nfs/dbraw/zinc/91/31/72/369913172.db2.gz TWUXXEWHVFOMRN-NSHDSACASA-N 2 1 283.803 2.016 20 0 CEADMP C[C@H](O)C[N@@H+](C)C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000352850396 369913177 /nfs/dbraw/zinc/91/31/77/369913177.db2.gz TWUXXEWHVFOMRN-NSHDSACASA-N 2 1 283.803 2.016 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000194034678 370001941 /nfs/dbraw/zinc/00/19/41/370001941.db2.gz BSMOBIBYVIYPFZ-KLHDSHLOSA-N 2 1 278.440 2.266 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000353124227 370028438 /nfs/dbraw/zinc/02/84/38/370028438.db2.gz YSAMWZDFBGCQLL-KLHDSHLOSA-N 2 1 296.455 2.428 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000353124227 370028441 /nfs/dbraw/zinc/02/84/41/370028441.db2.gz YSAMWZDFBGCQLL-KLHDSHLOSA-N 2 1 296.455 2.428 20 0 CEADMP COCCc1cc[nH+]c(NCc2c[nH+]ccc2N(C)C)c1 ZINC000353032571 369992637 /nfs/dbraw/zinc/99/26/37/369992637.db2.gz GFSXTNZTWHIBEA-UHFFFAOYSA-N 2 1 286.379 2.344 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C[NH+]1CCCC1 ZINC000353439740 370113641 /nfs/dbraw/zinc/11/36/41/370113641.db2.gz INSYRPRVYDOBRO-QBPKDAKJSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C[NH+]1CCCC1 ZINC000353439740 370113645 /nfs/dbraw/zinc/11/36/45/370113645.db2.gz INSYRPRVYDOBRO-QBPKDAKJSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C[NH+]1CCCC1 ZINC000353439740 370113649 /nfs/dbraw/zinc/11/36/49/370113649.db2.gz INSYRPRVYDOBRO-QBPKDAKJSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC000637808513 370079689 /nfs/dbraw/zinc/07/96/89/370079689.db2.gz ACSJGBANOJQHRV-UHFFFAOYSA-N 2 1 286.379 2.365 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@@H](NCC2(C[NH+](C)C)CCCC2)C1 ZINC000353166296 370049259 /nfs/dbraw/zinc/04/92/59/370049259.db2.gz JJMMVKBFGLPBOP-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP CCN1C[C@@H](C)[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C1 ZINC000353166296 370049268 /nfs/dbraw/zinc/04/92/68/370049268.db2.gz JJMMVKBFGLPBOP-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000637845289 370113143 /nfs/dbraw/zinc/11/31/43/370113143.db2.gz PCDGKTLAXUXYER-AWEZNQCLSA-N 2 1 292.427 2.030 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@H]2C)CC1 ZINC000353943374 370147444 /nfs/dbraw/zinc/14/74/44/370147444.db2.gz IKOREXNGUOYEFN-UMVBOHGHSA-N 2 1 282.428 2.038 20 0 CEADMP C[N@@H+](Cc1cccnc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211943490 370164381 /nfs/dbraw/zinc/16/43/81/370164381.db2.gz XWCBWYLQTJPIQI-UHFFFAOYSA-N 2 1 267.376 2.359 20 0 CEADMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000354095928 370215084 /nfs/dbraw/zinc/21/50/84/370215084.db2.gz GAQRQVKUVHOWRO-INIZCTEOSA-N 2 1 290.455 2.201 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000354095928 370215087 /nfs/dbraw/zinc/21/50/87/370215087.db2.gz GAQRQVKUVHOWRO-INIZCTEOSA-N 2 1 290.455 2.201 20 0 CEADMP Cc1nn(C)c(C)c1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000354095928 370215091 /nfs/dbraw/zinc/21/50/91/370215091.db2.gz GAQRQVKUVHOWRO-INIZCTEOSA-N 2 1 290.455 2.201 20 0 CEADMP Cc1nn(C)c(C)c1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000354095928 370215094 /nfs/dbraw/zinc/21/50/94/370215094.db2.gz GAQRQVKUVHOWRO-INIZCTEOSA-N 2 1 290.455 2.201 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](OC)C2CCOCC2)CC1 ZINC000637955018 370196493 /nfs/dbraw/zinc/19/64/93/370196493.db2.gz CBIUOAGUUVLENQ-QGZVFWFLSA-N 2 1 298.471 2.234 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638076392 370283326 /nfs/dbraw/zinc/28/33/26/370283326.db2.gz JVLCYRUJNTWNOH-DLBZAZTESA-N 2 1 287.451 2.396 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000354264558 370286610 /nfs/dbraw/zinc/28/66/10/370286610.db2.gz FYQZDPRRTURLEA-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000354264558 370286613 /nfs/dbraw/zinc/28/66/13/370286613.db2.gz FYQZDPRRTURLEA-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000354264558 370286619 /nfs/dbraw/zinc/28/66/19/370286619.db2.gz FYQZDPRRTURLEA-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC000354326449 370316104 /nfs/dbraw/zinc/31/61/04/370316104.db2.gz DEHRAMZWXZIDOC-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COCc3ccccc32)CCN1C ZINC000226006223 370327452 /nfs/dbraw/zinc/32/74/52/370327452.db2.gz OBKFSBHWPBILMD-XNRPHZJLSA-N 2 1 260.381 2.330 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC000638133394 370327941 /nfs/dbraw/zinc/32/79/41/370327941.db2.gz JPODMVFRXSJNFF-ZDUSSCGKSA-N 2 1 283.441 2.076 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC000638133394 370327947 /nfs/dbraw/zinc/32/79/47/370327947.db2.gz JPODMVFRXSJNFF-ZDUSSCGKSA-N 2 1 283.441 2.076 20 0 CEADMP Cc1ccc2[nH+]ccc(NCC[N@H+]3CCOC[C@@H]3C)c2c1 ZINC000354604728 370430496 /nfs/dbraw/zinc/43/04/96/370430496.db2.gz NXDNHAJTAZIDOX-AWEZNQCLSA-N 2 1 285.391 2.098 20 0 CEADMP Cc1ccc2[nH+]ccc(NCC[N@@H+]3CCOC[C@@H]3C)c2c1 ZINC000354604728 370430502 /nfs/dbraw/zinc/43/05/02/370430502.db2.gz NXDNHAJTAZIDOX-AWEZNQCLSA-N 2 1 285.391 2.098 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(OC)c1 ZINC000228534844 370405031 /nfs/dbraw/zinc/40/50/31/370405031.db2.gz JNLHHPPMYBOMMF-APHBMKBZSA-N 2 1 290.407 2.263 20 0 CEADMP COc1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228538406 370406139 /nfs/dbraw/zinc/40/61/39/370406139.db2.gz SBZKAVZDDNEBGN-NWANDNLSSA-N 2 1 260.381 2.254 20 0 CEADMP COCC[NH+]1CCC(Nc2cc3c(c[nH+]2)CCC3)CC1 ZINC000354551549 370407744 /nfs/dbraw/zinc/40/77/44/370407744.db2.gz ZRVVEKMZJHJNJD-UHFFFAOYSA-N 2 1 275.396 2.093 20 0 CEADMP CC(C)C[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000354648247 370451498 /nfs/dbraw/zinc/45/14/98/370451498.db2.gz MMNJGBDUJQVEIB-ZWKOTPCHSA-N 2 1 290.451 2.473 20 0 CEADMP CC(C)C[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000354648247 370451504 /nfs/dbraw/zinc/45/15/04/370451504.db2.gz MMNJGBDUJQVEIB-ZWKOTPCHSA-N 2 1 290.451 2.473 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccn1 ZINC000638369113 370478008 /nfs/dbraw/zinc/47/80/08/370478008.db2.gz PNVJLHKSECJDGI-IMJJTQAJSA-N 2 1 289.423 2.238 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)ccn1 ZINC000638369113 370478012 /nfs/dbraw/zinc/47/80/12/370478012.db2.gz PNVJLHKSECJDGI-IMJJTQAJSA-N 2 1 289.423 2.238 20 0 CEADMP CO[C@H](C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCOC1 ZINC000638366088 370475374 /nfs/dbraw/zinc/47/53/74/370475374.db2.gz KVIJAOXEGXHXNS-BRWVUGGUSA-N 2 1 298.471 2.140 20 0 CEADMP CO[C@H](C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCOC1 ZINC000638366635 370475668 /nfs/dbraw/zinc/47/56/68/370475668.db2.gz PXSKNNLFMSQFPY-GVDBMIGSSA-N 2 1 298.471 2.282 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)ns2)C1 ZINC000638410312 370509434 /nfs/dbraw/zinc/50/94/34/370509434.db2.gz ZBWXPCAMYCBWAI-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)ns2)C1 ZINC000638410312 370509437 /nfs/dbraw/zinc/50/94/37/370509437.db2.gz ZBWXPCAMYCBWAI-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CCC[C@H]1CCO1 ZINC000638413300 370512420 /nfs/dbraw/zinc/51/24/20/370512420.db2.gz SBKFGZJDNPMBNS-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CCC[C@H]1CCO1 ZINC000638413300 370512422 /nfs/dbraw/zinc/51/24/22/370512422.db2.gz SBKFGZJDNPMBNS-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CC1(F)F ZINC000638557741 370604448 /nfs/dbraw/zinc/60/44/48/370604448.db2.gz KSWALOHEXPOWRY-QWHCGFSZSA-N 2 1 288.382 2.265 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccns2)C1 ZINC000638566127 370607658 /nfs/dbraw/zinc/60/76/58/370607658.db2.gz AYCYXYOVEHJKOX-GFCCVEGCSA-N 2 1 253.415 2.353 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccns2)C1 ZINC000638566127 370607664 /nfs/dbraw/zinc/60/76/64/370607664.db2.gz AYCYXYOVEHJKOX-GFCCVEGCSA-N 2 1 253.415 2.353 20 0 CEADMP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000638588025 370622125 /nfs/dbraw/zinc/62/21/25/370622125.db2.gz JJCGQWKQPBGZLQ-DLBZAZTESA-N 2 1 276.424 2.176 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638566975 370609007 /nfs/dbraw/zinc/60/90/07/370609007.db2.gz UURNDODWWOLCMH-QQFBHYJXSA-N 2 1 276.428 2.297 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(NC(C)=O)c1 ZINC000639174560 371046960 /nfs/dbraw/zinc/04/69/60/371046960.db2.gz CDFWZTVAHHBAQL-UHFFFAOYSA-N 2 1 277.412 2.419 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(NC(C)=O)c1 ZINC000639174560 371046963 /nfs/dbraw/zinc/04/69/63/371046963.db2.gz CDFWZTVAHHBAQL-UHFFFAOYSA-N 2 1 277.412 2.419 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000639176228 371051429 /nfs/dbraw/zinc/05/14/29/371051429.db2.gz DFWSZSREMUITNM-CVEARBPZSA-N 2 1 266.429 2.075 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCNc2ccc3ccccc3n2)CC[N@H+]1C ZINC000358406178 371051770 /nfs/dbraw/zinc/05/17/70/371051770.db2.gz SDTSCVICSVHZLD-GDBMZVCRSA-N 2 1 298.434 2.141 20 0 CEADMP CC[C@@](C)(C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC000639162123 371036150 /nfs/dbraw/zinc/03/61/50/371036150.db2.gz LDTGXMKEMWSUNN-IXXDHKBRSA-N 2 1 254.418 2.359 20 0 CEADMP CC[C@@](C)(C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000639162123 371036153 /nfs/dbraw/zinc/03/61/53/371036153.db2.gz LDTGXMKEMWSUNN-IXXDHKBRSA-N 2 1 254.418 2.359 20 0 CEADMP CC[C@@](C)(C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000639162123 371036158 /nfs/dbraw/zinc/03/61/58/371036158.db2.gz LDTGXMKEMWSUNN-IXXDHKBRSA-N 2 1 254.418 2.359 20 0 CEADMP CC[C@@](C)(C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)OC ZINC000639176747 371052256 /nfs/dbraw/zinc/05/22/56/371052256.db2.gz JVWUZAXSGHJMGW-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCOC2CCCC2)[C@@H](C)C1 ZINC000247004804 371044558 /nfs/dbraw/zinc/04/45/58/371044558.db2.gz LXHNHTNMSOXQMX-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC1CCSCC1 ZINC000639177046 371053337 /nfs/dbraw/zinc/05/33/37/371053337.db2.gz AENJCONXERTXDM-JSGCOSHPSA-N 2 1 256.459 2.402 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC1CCSCC1 ZINC000639177046 371053343 /nfs/dbraw/zinc/05/33/43/371053343.db2.gz AENJCONXERTXDM-JSGCOSHPSA-N 2 1 256.459 2.402 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC1CCSCC1 ZINC000639177046 371053345 /nfs/dbraw/zinc/05/33/45/371053345.db2.gz AENJCONXERTXDM-JSGCOSHPSA-N 2 1 256.459 2.402 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC1CCSCC1 ZINC000639177046 371053350 /nfs/dbraw/zinc/05/33/50/371053350.db2.gz AENJCONXERTXDM-JSGCOSHPSA-N 2 1 256.459 2.402 20 0 CEADMP Cc1cccc(NCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000358410740 371054808 /nfs/dbraw/zinc/05/48/08/371054808.db2.gz XJOQRKDLYQTSNI-VHDGCEQUSA-N 2 1 276.428 2.120 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000247058765 371056642 /nfs/dbraw/zinc/05/66/42/371056642.db2.gz PKNDXKBDRBYKAH-ZIAGYGMSSA-N 2 1 264.417 2.191 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000247058765 371056646 /nfs/dbraw/zinc/05/66/46/371056646.db2.gz PKNDXKBDRBYKAH-ZIAGYGMSSA-N 2 1 264.417 2.191 20 0 CEADMP CCOC1CC(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000639180857 371061932 /nfs/dbraw/zinc/06/19/32/371061932.db2.gz ZWUDASYEOQNACI-BHDPWAOGSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC1CC(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000639180857 371061938 /nfs/dbraw/zinc/06/19/38/371061938.db2.gz ZWUDASYEOQNACI-BHDPWAOGSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC1CC(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000639180857 371061942 /nfs/dbraw/zinc/06/19/42/371061942.db2.gz ZWUDASYEOQNACI-BHDPWAOGSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC1CC(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000639180858 371062227 /nfs/dbraw/zinc/06/22/27/371062227.db2.gz ZWUDASYEOQNACI-GRAKBVBRSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC1CC(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000639180858 371062233 /nfs/dbraw/zinc/06/22/33/371062233.db2.gz ZWUDASYEOQNACI-GRAKBVBRSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC1CC(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000639180858 371062236 /nfs/dbraw/zinc/06/22/36/371062236.db2.gz ZWUDASYEOQNACI-GRAKBVBRSA-N 2 1 266.429 2.218 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639198807 371083744 /nfs/dbraw/zinc/08/37/44/371083744.db2.gz SRLBJCPBUPRDKH-KFWWJZLASA-N 2 1 283.460 2.144 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639198807 371083749 /nfs/dbraw/zinc/08/37/49/371083749.db2.gz SRLBJCPBUPRDKH-KFWWJZLASA-N 2 1 283.460 2.144 20 0 CEADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000358567269 371120743 /nfs/dbraw/zinc/12/07/43/371120743.db2.gz PRTNEAMYNSMZPX-XUWVNRHRSA-N 2 1 297.487 2.055 20 0 CEADMP COc1cc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccn1 ZINC000639233919 371127046 /nfs/dbraw/zinc/12/70/46/371127046.db2.gz YOCAFHFMPCQXEG-WWTUQBGBSA-N 2 1 289.423 2.236 20 0 CEADMP CO[C@@](C)(C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000639257154 371156945 /nfs/dbraw/zinc/15/69/45/371156945.db2.gz JQEAPXQOXMFSDW-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP CCOC1CC(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000639259337 371159250 /nfs/dbraw/zinc/15/92/50/371159250.db2.gz PBHUUMQYNQTMEI-WLYUNCDWSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)sn1 ZINC000639304193 371209290 /nfs/dbraw/zinc/20/92/90/371209290.db2.gz ZSWSDFBASJIHRC-CQSZACIVSA-N 2 1 295.452 2.138 20 0 CEADMP Cc1cc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)sn1 ZINC000639304193 371209292 /nfs/dbraw/zinc/20/92/92/371209292.db2.gz ZSWSDFBASJIHRC-CQSZACIVSA-N 2 1 295.452 2.138 20 0 CEADMP CC1(C)CC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)O1 ZINC000248570287 371215086 /nfs/dbraw/zinc/21/50/86/371215086.db2.gz LWARUASLGHLHNJ-MELADBBJSA-N 2 1 252.402 2.160 20 0 CEADMP OC/C=C\C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639309200 371216086 /nfs/dbraw/zinc/21/60/86/371216086.db2.gz QKMZVYPDITXQIK-TWZRTHNCSA-N 2 1 286.419 2.493 20 0 CEADMP OC/C=C\C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639309200 371216089 /nfs/dbraw/zinc/21/60/89/371216089.db2.gz QKMZVYPDITXQIK-TWZRTHNCSA-N 2 1 286.419 2.493 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248725854 371239851 /nfs/dbraw/zinc/23/98/51/371239851.db2.gz IESDOARSPFNNMU-XUWVNRHRSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccco1)N(C)C ZINC000249335497 371313034 /nfs/dbraw/zinc/31/30/34/371313034.db2.gz YQGYBNQEBUKBTB-APIJFGDWSA-N 2 1 279.428 2.201 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccco1)N(C)C ZINC000249335497 371313040 /nfs/dbraw/zinc/31/30/40/371313040.db2.gz YQGYBNQEBUKBTB-APIJFGDWSA-N 2 1 279.428 2.201 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000639494619 371361356 /nfs/dbraw/zinc/36/13/56/371361356.db2.gz BVKWTLKTXPYVLN-HRCADAONSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)n1cncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251588349 371407725 /nfs/dbraw/zinc/40/77/25/371407725.db2.gz OBLHDIBIGIOQIY-KGLIPLIRSA-N 2 1 262.401 2.180 20 0 CEADMP CC(C)n1cncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251588349 371407730 /nfs/dbraw/zinc/40/77/30/371407730.db2.gz OBLHDIBIGIOQIY-KGLIPLIRSA-N 2 1 262.401 2.180 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000251660698 371410891 /nfs/dbraw/zinc/41/08/91/371410891.db2.gz KNSJWTSNDDLHSO-OWCLPIDISA-N 2 1 276.428 2.441 20 0 CEADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000251767279 371414964 /nfs/dbraw/zinc/41/49/64/371414964.db2.gz VSIUUKDZKHREIV-ORQFMDKSSA-N 2 1 276.424 2.180 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCO[C@@H]2C)CC1 ZINC000639509415 371370998 /nfs/dbraw/zinc/37/09/98/371370998.db2.gz BEZPWOYAYQFXMH-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP C[N@@H+](CCCN[C@@H]1CCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000249954947 371371110 /nfs/dbraw/zinc/37/11/10/371371110.db2.gz BJUOGDZHHRHJCY-DLBZAZTESA-N 2 1 275.440 2.226 20 0 CEADMP C[N@H+](CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000249954947 371371112 /nfs/dbraw/zinc/37/11/12/371371112.db2.gz BJUOGDZHHRHJCY-DLBZAZTESA-N 3 1 275.440 2.226 20 0 CEADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000249954947 371371116 /nfs/dbraw/zinc/37/11/16/371371116.db2.gz BJUOGDZHHRHJCY-DLBZAZTESA-N 3 1 275.440 2.226 20 0 CEADMP C[N@@H+](CCCN[C@H]1CCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000249954955 371372022 /nfs/dbraw/zinc/37/20/22/371372022.db2.gz BJUOGDZHHRHJCY-IRXDYDNUSA-N 2 1 275.440 2.226 20 0 CEADMP C[N@H+](CCC[NH2+][C@H]1CCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000249954955 371372027 /nfs/dbraw/zinc/37/20/27/371372027.db2.gz BJUOGDZHHRHJCY-IRXDYDNUSA-N 3 1 275.440 2.226 20 0 CEADMP C[N@@H+](CCC[NH2+][C@H]1CCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000249954955 371372033 /nfs/dbraw/zinc/37/20/33/371372033.db2.gz BJUOGDZHHRHJCY-IRXDYDNUSA-N 3 1 275.440 2.226 20 0 CEADMP CC(C)(C)C[N@@H+](CCCO)CCC1CC[NH2+]CC1 ZINC000359216393 371379538 /nfs/dbraw/zinc/37/95/38/371379538.db2.gz RHUYSQWBARVPJL-UHFFFAOYSA-N 2 1 256.434 2.107 20 0 CEADMP COc1ccc2c(c1)C[N@H+](CCC1CC[NH2+]CC1)CC2 ZINC000359219079 371379630 /nfs/dbraw/zinc/37/96/30/371379630.db2.gz MVVYMSFIXPHGIK-UHFFFAOYSA-N 2 1 274.408 2.443 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250227711 371381120 /nfs/dbraw/zinc/38/11/20/371381120.db2.gz FSMYBGPBTKKDCO-YYIAUSFCSA-N 3 1 279.472 2.229 20 0 CEADMP CC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250227711 371381125 /nfs/dbraw/zinc/38/11/25/371381125.db2.gz FSMYBGPBTKKDCO-YYIAUSFCSA-N 2 1 279.472 2.229 20 0 CEADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250227711 371381132 /nfs/dbraw/zinc/38/11/32/371381132.db2.gz FSMYBGPBTKKDCO-YYIAUSFCSA-N 2 1 279.472 2.229 20 0 CEADMP COc1ccc([C@H](CO)[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC000359221940 371383441 /nfs/dbraw/zinc/38/34/41/371383441.db2.gz OUSBOMJVVREWQM-KRWDZBQOSA-N 2 1 292.423 2.050 20 0 CEADMP CC(=O)CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000639580681 371419519 /nfs/dbraw/zinc/41/95/19/371419519.db2.gz PCWYLBFXYCRQIS-HALDLXJZSA-N 2 1 274.408 2.322 20 0 CEADMP CC(=O)CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000639580681 371419523 /nfs/dbraw/zinc/41/95/23/371419523.db2.gz PCWYLBFXYCRQIS-HALDLXJZSA-N 2 1 274.408 2.322 20 0 CEADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCn2cccn2)C1 ZINC000252441564 371437694 /nfs/dbraw/zinc/43/76/94/371437694.db2.gz NKJHXPVHJJJZHQ-IRXDYDNUSA-N 2 1 290.455 2.470 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCn2cccn2)C1 ZINC000252441564 371437700 /nfs/dbraw/zinc/43/77/00/371437700.db2.gz NKJHXPVHJJJZHQ-IRXDYDNUSA-N 2 1 290.455 2.470 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000252441564 371437705 /nfs/dbraw/zinc/43/77/05/371437705.db2.gz NKJHXPVHJJJZHQ-IRXDYDNUSA-N 2 1 290.455 2.470 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000252441564 371437709 /nfs/dbraw/zinc/43/77/09/371437709.db2.gz NKJHXPVHJJJZHQ-IRXDYDNUSA-N 2 1 290.455 2.470 20 0 CEADMP C([NH2+]C1CCCCCC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252668645 371465424 /nfs/dbraw/zinc/46/54/24/371465424.db2.gz YVQCSVVPUNZWPP-GJZGRUSLSA-N 2 1 252.402 2.162 20 0 CEADMP C([NH2+]C1CCCCCC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252668645 371465425 /nfs/dbraw/zinc/46/54/25/371465425.db2.gz YVQCSVVPUNZWPP-GJZGRUSLSA-N 2 1 252.402 2.162 20 0 CEADMP COc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673181 371466748 /nfs/dbraw/zinc/46/67/48/371466748.db2.gz HBHPHQQKQIXVRF-GJZGRUSLSA-N 2 1 260.381 2.412 20 0 CEADMP COc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252673181 371466750 /nfs/dbraw/zinc/46/67/50/371466750.db2.gz HBHPHQQKQIXVRF-GJZGRUSLSA-N 2 1 260.381 2.412 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000252675415 371468188 /nfs/dbraw/zinc/46/81/88/371468188.db2.gz ZOIHQQUIIAAJNV-GJZGRUSLSA-N 2 1 290.407 2.420 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000252675415 371468191 /nfs/dbraw/zinc/46/81/91/371468191.db2.gz ZOIHQQUIIAAJNV-GJZGRUSLSA-N 2 1 290.407 2.420 20 0 CEADMP CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)[NH+](CC)CC ZINC000359665767 371476971 /nfs/dbraw/zinc/47/69/71/371476971.db2.gz XRBRVKZZOSRRLU-ARFHVFGLSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253200961 371502057 /nfs/dbraw/zinc/50/20/57/371502057.db2.gz XJVKNXVIQSOVIW-HRCADAONSA-N 2 1 297.487 2.234 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253200961 371502063 /nfs/dbraw/zinc/50/20/63/371502063.db2.gz XJVKNXVIQSOVIW-HRCADAONSA-N 2 1 297.487 2.234 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN(C)Cc1ccccc1 ZINC000360247189 371509197 /nfs/dbraw/zinc/50/91/97/371509197.db2.gz BCGWENFWPSDKDI-DOTOQJQBSA-N 2 1 275.440 2.048 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+]([C@@H]1Cc3ccccc3[C@H]1O)CC2 ZINC000360322559 371512373 /nfs/dbraw/zinc/51/23/73/371512373.db2.gz JUMLZGNOUBHGLI-IAGOWNOFSA-N 2 1 286.419 2.205 20 0 CEADMP C[N@H+]1CCCC12CC[NH+]([C@@H]1Cc3ccccc3[C@H]1O)CC2 ZINC000360322559 371512379 /nfs/dbraw/zinc/51/23/79/371512379.db2.gz JUMLZGNOUBHGLI-IAGOWNOFSA-N 2 1 286.419 2.205 20 0 CEADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cn1 ZINC000639756929 371546124 /nfs/dbraw/zinc/54/61/24/371546124.db2.gz ADOBAWYLEKQNNL-UHFFFAOYSA-N 2 1 275.396 2.008 20 0 CEADMP C[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000359931922 371494805 /nfs/dbraw/zinc/49/48/05/371494805.db2.gz CRACGZCHTPFRNC-LVQVYYBASA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000359931922 371494810 /nfs/dbraw/zinc/49/48/10/371494810.db2.gz CRACGZCHTPFRNC-LVQVYYBASA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000359931922 371494812 /nfs/dbraw/zinc/49/48/12/371494812.db2.gz CRACGZCHTPFRNC-LVQVYYBASA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)[C@@H](CN)C1CC1 ZINC000360003037 371498269 /nfs/dbraw/zinc/49/82/69/371498269.db2.gz CEEWTZVFCQLJAO-VHDGCEQUSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)[C@@H](CN)C1CC1 ZINC000360003037 371498278 /nfs/dbraw/zinc/49/82/78/371498278.db2.gz CEEWTZVFCQLJAO-VHDGCEQUSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000360003037 371498286 /nfs/dbraw/zinc/49/82/86/371498286.db2.gz CEEWTZVFCQLJAO-VHDGCEQUSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000360003037 371498292 /nfs/dbraw/zinc/49/82/92/371498292.db2.gz CEEWTZVFCQLJAO-VHDGCEQUSA-N 2 1 254.418 2.251 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778193 371562024 /nfs/dbraw/zinc/56/20/24/371562024.db2.gz QOXFXXCXGCYYBO-AWEZNQCLSA-N 2 1 259.357 2.142 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778193 371562027 /nfs/dbraw/zinc/56/20/27/371562027.db2.gz QOXFXXCXGCYYBO-AWEZNQCLSA-N 2 1 259.357 2.142 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(OC)C2CC2)[C@@H](C)C1 ZINC000361006017 371594425 /nfs/dbraw/zinc/59/44/25/371594425.db2.gz ZHUKGENPWTWQRL-QEJZJMRPSA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H](C)OC ZINC000361018163 371602195 /nfs/dbraw/zinc/60/21/95/371602195.db2.gz QWEVNSGKVDDURI-CYBMUJFWSA-N 2 1 288.395 2.433 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000261554447 371644072 /nfs/dbraw/zinc/64/40/72/371644072.db2.gz UFDWMUNGMYKWKE-RHSMWYFYSA-N 2 1 291.439 2.141 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000261734776 371714184 /nfs/dbraw/zinc/71/41/84/371714184.db2.gz RMIQRJUHSVKQKD-ZFWWWQNUSA-N 2 1 290.407 2.196 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000261734776 371714186 /nfs/dbraw/zinc/71/41/86/371714186.db2.gz RMIQRJUHSVKQKD-ZFWWWQNUSA-N 2 1 290.407 2.196 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(-c2ccccc2)n1 ZINC000261765306 371723410 /nfs/dbraw/zinc/72/34/10/371723410.db2.gz RNZUAGAHNVHMSZ-KRWDZBQOSA-N 2 1 284.407 2.258 20 0 CEADMP c1ccc2nc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000261760827 371724534 /nfs/dbraw/zinc/72/45/34/371724534.db2.gz NQNMELUUNOJHDW-HUUCEWRRSA-N 2 1 267.376 2.276 20 0 CEADMP c1ccc2nc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000261760827 371724537 /nfs/dbraw/zinc/72/45/37/371724537.db2.gz NQNMELUUNOJHDW-HUUCEWRRSA-N 2 1 267.376 2.276 20 0 CEADMP C[C@H](c1ccsc1)[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261769344 371726388 /nfs/dbraw/zinc/72/63/88/371726388.db2.gz MNUZVHMQNQXVPR-GDBMZVCRSA-N 2 1 293.480 2.426 20 0 CEADMP CCOc1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261649925 371692672 /nfs/dbraw/zinc/69/26/72/371692672.db2.gz JOPWSELYKYKCKA-LSDHHAIUSA-N 2 1 290.407 2.005 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261649925 371692674 /nfs/dbraw/zinc/69/26/74/371692674.db2.gz JOPWSELYKYKCKA-LSDHHAIUSA-N 2 1 290.407 2.005 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000261825234 371743767 /nfs/dbraw/zinc/74/37/67/371743767.db2.gz IPZZHCOMZDAQBS-HNNXBMFYSA-N 2 1 262.397 2.435 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000261825234 371743773 /nfs/dbraw/zinc/74/37/73/371743773.db2.gz IPZZHCOMZDAQBS-HNNXBMFYSA-N 2 1 262.397 2.435 20 0 CEADMP Cc1ccccc1OCC[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261891512 371763107 /nfs/dbraw/zinc/76/31/07/371763107.db2.gz TYQISGZEFWZTFU-INIZCTEOSA-N 2 1 262.397 2.305 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)CCC(C)C)C1 ZINC000361297784 371766121 /nfs/dbraw/zinc/76/61/21/371766121.db2.gz AMBGHFVSVABUPL-HOTGVXAUSA-N 2 1 270.461 2.447 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262046620 371811417 /nfs/dbraw/zinc/81/14/17/371811417.db2.gz ZBJXXDZQORCMHR-GJZGRUSLSA-N 2 1 284.407 2.432 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262046620 371811421 /nfs/dbraw/zinc/81/14/21/371811421.db2.gz ZBJXXDZQORCMHR-GJZGRUSLSA-N 2 1 284.407 2.432 20 0 CEADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000262082634 371819650 /nfs/dbraw/zinc/81/96/50/371819650.db2.gz TZOJCHHFRBUJED-SJORKVTESA-N 2 1 258.409 2.475 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000262087927 371821381 /nfs/dbraw/zinc/82/13/81/371821381.db2.gz GLQLLQAHVUOHJU-LSDHHAIUSA-N 2 1 262.397 2.351 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCc4ccccc4C3)C[C@@H]2C1 ZINC000683790665 541860766 /nfs/dbraw/zinc/86/07/66/541860766.db2.gz PJIWRXAUHCIHJR-JCGIZDLHSA-N 2 1 270.420 2.285 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc4C3)C[C@@H]2C1 ZINC000683790665 541860769 /nfs/dbraw/zinc/86/07/69/541860769.db2.gz PJIWRXAUHCIHJR-JCGIZDLHSA-N 2 1 270.420 2.285 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCc4ccccc4C3)C[C@@H]2C1 ZINC000683790665 541860772 /nfs/dbraw/zinc/86/07/72/541860772.db2.gz PJIWRXAUHCIHJR-JCGIZDLHSA-N 2 1 270.420 2.285 20 0 CEADMP Cc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)nc(C)[nH+]1 ZINC000277764669 541862690 /nfs/dbraw/zinc/86/26/90/541862690.db2.gz VSVRPGWZAQLHMU-CYBMUJFWSA-N 2 1 278.400 2.006 20 0 CEADMP Cc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)nc(C)[nH+]1 ZINC000277764669 541862694 /nfs/dbraw/zinc/86/26/94/541862694.db2.gz VSVRPGWZAQLHMU-CYBMUJFWSA-N 2 1 278.400 2.006 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H](C)C(C)(C)C)CC1 ZINC000640351926 371921370 /nfs/dbraw/zinc/92/13/70/371921370.db2.gz ZAKJWNOMKMPKJT-AWEZNQCLSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263076545 371929744 /nfs/dbraw/zinc/92/97/44/371929744.db2.gz XCNHMEQXZVJXSW-JYYAWHABSA-N 2 1 295.471 2.131 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)NC(C)(C)C ZINC000640531748 372020788 /nfs/dbraw/zinc/02/07/88/372020788.db2.gz QCPPEBWFYKRHTH-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccon1 ZINC000640530320 372020855 /nfs/dbraw/zinc/02/08/55/372020855.db2.gz BKHBYDKWAMSSQB-UHFFFAOYSA-N 2 1 251.374 2.373 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccon1 ZINC000640530320 372020860 /nfs/dbraw/zinc/02/08/60/372020860.db2.gz BKHBYDKWAMSSQB-UHFFFAOYSA-N 2 1 251.374 2.373 20 0 CEADMP Cn1ccnc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531807 372021780 /nfs/dbraw/zinc/02/17/80/372021780.db2.gz ROBLOIOGGLNJIP-UHFFFAOYSA-N 2 1 264.417 2.118 20 0 CEADMP Cn1ccnc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531807 372021787 /nfs/dbraw/zinc/02/17/87/372021787.db2.gz ROBLOIOGGLNJIP-UHFFFAOYSA-N 2 1 264.417 2.118 20 0 CEADMP CCN(CC)C(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530633 372022105 /nfs/dbraw/zinc/02/21/05/372022105.db2.gz FHDHJBQHAKVQNB-MRXNPFEDSA-N 2 1 297.487 2.441 20 0 CEADMP Cn1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1=O ZINC000640530317 372022210 /nfs/dbraw/zinc/02/22/10/372022210.db2.gz BJPAJGFEWNTLFQ-UHFFFAOYSA-N 2 1 291.439 2.083 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCOC1CCOCC1 ZINC000640533169 372024074 /nfs/dbraw/zinc/02/40/74/372024074.db2.gz DQYZMZWZSOIUGI-UHFFFAOYSA-N 2 1 298.471 2.380 20 0 CEADMP C[C@H](c1nccc(N)n1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534958 372024462 /nfs/dbraw/zinc/02/44/62/372024462.db2.gz XTJCRQIFEHQUBT-CQSZACIVSA-N 2 1 291.443 2.148 20 0 CEADMP C[C@H](c1nccc(N)n1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534958 372024468 /nfs/dbraw/zinc/02/44/68/372024468.db2.gz XTJCRQIFEHQUBT-CQSZACIVSA-N 2 1 291.443 2.148 20 0 CEADMP CCC[C@H]([NH3+])C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361717245 372036691 /nfs/dbraw/zinc/03/66/91/372036691.db2.gz BZYGWUYHNRCJBV-KBPBESRZSA-N 2 1 292.427 2.125 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1ccccc1O ZINC000344174605 217084793 /nfs/dbraw/zinc/08/47/93/217084793.db2.gz WFAFMLKNNHLEKB-UHFFFAOYSA-N 2 1 273.380 2.462 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1ccccc1O ZINC000344174605 217084795 /nfs/dbraw/zinc/08/47/95/217084795.db2.gz WFAFMLKNNHLEKB-UHFFFAOYSA-N 2 1 273.380 2.462 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361771475 372065321 /nfs/dbraw/zinc/06/53/21/372065321.db2.gz KVPWLXBKCLEHCO-UAGQMJEPSA-N 2 1 276.424 2.316 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361771475 372065324 /nfs/dbraw/zinc/06/53/24/372065324.db2.gz KVPWLXBKCLEHCO-UAGQMJEPSA-N 2 1 276.424 2.316 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1C[N@H+](C)C[C@H]1C ZINC000361926760 372132988 /nfs/dbraw/zinc/13/29/88/372132988.db2.gz RMFQHOBDCVPTOZ-LTIDMASMSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000361926760 372132995 /nfs/dbraw/zinc/13/29/95/372132995.db2.gz RMFQHOBDCVPTOZ-LTIDMASMSA-N 2 1 281.488 2.427 20 0 CEADMP COC(=O)CCC[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362105386 372225024 /nfs/dbraw/zinc/22/50/24/372225024.db2.gz HDHHCXZWVDTXQD-CQSZACIVSA-N 2 1 294.439 2.136 20 0 CEADMP Cc1cccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000268803272 372230202 /nfs/dbraw/zinc/23/02/02/372230202.db2.gz BQTNEIUBPPISIX-OAHLLOKOSA-N 2 1 276.424 2.492 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000362179867 372258296 /nfs/dbraw/zinc/25/82/96/372258296.db2.gz OPTPIKCGQHTPAP-HUUCEWRRSA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000362179867 372258302 /nfs/dbraw/zinc/25/83/02/372258302.db2.gz OPTPIKCGQHTPAP-HUUCEWRRSA-N 2 1 263.385 2.225 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC000362230477 372277859 /nfs/dbraw/zinc/27/78/59/372277859.db2.gz NTICCNUEPJIJCN-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000362230477 372277861 /nfs/dbraw/zinc/27/78/61/372277861.db2.gz NTICCNUEPJIJCN-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000362230477 372277866 /nfs/dbraw/zinc/27/78/66/372277866.db2.gz NTICCNUEPJIJCN-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)c1ccccc1C[NH+](C)C ZINC000362510214 372396781 /nfs/dbraw/zinc/39/67/81/372396781.db2.gz KTUSHEGRBCFEJC-UHFFFAOYSA-N 2 1 291.439 2.208 20 0 CEADMP CC[C@H]1C[N@H+](CCNc2cc[nH+]c3ccccc23)CCO1 ZINC000362664104 372478001 /nfs/dbraw/zinc/47/80/01/372478001.db2.gz MDCIWUSPRSMNKC-AWEZNQCLSA-N 2 1 285.391 2.179 20 0 CEADMP CC[C@H]1C[N@@H+](CCNc2cc[nH+]c3ccccc23)CCO1 ZINC000362664104 372478003 /nfs/dbraw/zinc/47/80/03/372478003.db2.gz MDCIWUSPRSMNKC-AWEZNQCLSA-N 2 1 285.391 2.179 20 0 CEADMP OCc1ccnc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000641673016 372619678 /nfs/dbraw/zinc/61/96/78/372619678.db2.gz FFKUBHKCVUDZSV-HNNXBMFYSA-N 2 1 275.396 2.108 20 0 CEADMP C([C@H]1CCOC1)[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000363459625 372638319 /nfs/dbraw/zinc/63/83/19/372638319.db2.gz PDTZETYOXNSUFW-HZPDHXFCSA-N 2 1 266.429 2.221 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641705982 372642724 /nfs/dbraw/zinc/64/27/24/372642724.db2.gz WCEFCSNRZLKMIH-UHFFFAOYSA-N 2 1 276.384 2.088 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641705982 372642730 /nfs/dbraw/zinc/64/27/30/372642730.db2.gz WCEFCSNRZLKMIH-UHFFFAOYSA-N 2 1 276.384 2.088 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1sccc1C ZINC000641772305 372716095 /nfs/dbraw/zinc/71/60/95/372716095.db2.gz ONSFGVXPKPUNIO-CYBMUJFWSA-N 2 1 270.442 2.239 20 0 CEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)O1 ZINC000364533356 372748084 /nfs/dbraw/zinc/74/80/84/372748084.db2.gz KQQVFBCFPYNFQU-MZBWOGCUSA-N 2 1 296.455 2.033 20 0 CEADMP CC[C@](C)(O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000364613083 372772948 /nfs/dbraw/zinc/77/29/48/372772948.db2.gz OJDCKIHIZDBUCF-HOCLYGCPSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000353467797 220100100 /nfs/dbraw/zinc/10/01/00/220100100.db2.gz AGUGEQKIRRFYAA-INIZCTEOSA-N 2 1 289.423 2.067 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000270628826 372873747 /nfs/dbraw/zinc/87/37/47/372873747.db2.gz LIJLUEVKSHAIEB-QGZVFWFLSA-N 2 1 285.391 2.173 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccccc2[C@H]1CO ZINC000270628826 372873756 /nfs/dbraw/zinc/87/37/56/372873756.db2.gz LIJLUEVKSHAIEB-QGZVFWFLSA-N 2 1 285.391 2.173 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000270668712 372893096 /nfs/dbraw/zinc/89/30/96/372893096.db2.gz QRLUMYQUSBGHQM-UHFFFAOYSA-N 2 1 273.336 2.052 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000270668712 372893101 /nfs/dbraw/zinc/89/31/01/372893101.db2.gz QRLUMYQUSBGHQM-UHFFFAOYSA-N 2 1 273.336 2.052 20 0 CEADMP Brc1c[nH+]ccc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643031125 372921836 /nfs/dbraw/zinc/92/18/36/372921836.db2.gz HQJAZCZCAPPNKS-KOLCDFICSA-N 2 1 282.185 2.032 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000353505393 220124198 /nfs/dbraw/zinc/12/41/98/220124198.db2.gz DEEUUFGBSTXAEZ-OWCLPIDISA-N 2 1 295.471 2.001 20 0 CEADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21)C(C)C ZINC000353499550 220121027 /nfs/dbraw/zinc/12/10/27/220121027.db2.gz VHSAAKLPHWCZLJ-BZUAXINKSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+](CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C(C)C ZINC000353499550 220121029 /nfs/dbraw/zinc/12/10/29/220121029.db2.gz VHSAAKLPHWCZLJ-BZUAXINKSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C(C)C ZINC000353499550 220121032 /nfs/dbraw/zinc/12/10/32/220121032.db2.gz VHSAAKLPHWCZLJ-BZUAXINKSA-N 2 1 267.461 2.179 20 0 CEADMP COCCSCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365842490 372948891 /nfs/dbraw/zinc/94/88/91/372948891.db2.gz CFUFXMWDVDVGGA-BZUAXINKSA-N 2 1 298.496 2.172 20 0 CEADMP COCCSCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365842490 372948894 /nfs/dbraw/zinc/94/88/94/372948894.db2.gz CFUFXMWDVDVGGA-BZUAXINKSA-N 2 1 298.496 2.172 20 0 CEADMP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000353498356 220121975 /nfs/dbraw/zinc/12/19/75/220121975.db2.gz ZMZYNJOFQMGJLP-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000643498626 373157230 /nfs/dbraw/zinc/15/72/30/373157230.db2.gz NBDHLAYXKSGMRD-NSHDSACASA-N 2 1 250.390 2.420 20 0 CEADMP Oc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000367472814 373158540 /nfs/dbraw/zinc/15/85/40/373158540.db2.gz WIKQISLVGRYJHX-PVAVHDDUSA-N 2 1 272.392 2.308 20 0 CEADMP Oc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000367472814 373158548 /nfs/dbraw/zinc/15/85/48/373158548.db2.gz WIKQISLVGRYJHX-PVAVHDDUSA-N 2 1 272.392 2.308 20 0 CEADMP Oc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000367472814 373158552 /nfs/dbraw/zinc/15/85/52/373158552.db2.gz WIKQISLVGRYJHX-PVAVHDDUSA-N 2 1 272.392 2.308 20 0 CEADMP Oc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000367472814 373158558 /nfs/dbraw/zinc/15/85/58/373158558.db2.gz WIKQISLVGRYJHX-PVAVHDDUSA-N 2 1 272.392 2.308 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000353558480 220157595 /nfs/dbraw/zinc/15/75/95/220157595.db2.gz DPMFCPYGKBAGHT-KRWDZBQOSA-N 2 1 295.471 2.099 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCC1 ZINC000367638638 373172176 /nfs/dbraw/zinc/17/21/76/373172176.db2.gz PLPLOENLDBAPBM-MGPQQGTHSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@@H+](CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21)C1CCCC1 ZINC000367604374 373165481 /nfs/dbraw/zinc/16/54/81/373165481.db2.gz BDIAUOVLSWPAPZ-ZACQAIPSSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C1CCCC1 ZINC000367604374 373165485 /nfs/dbraw/zinc/16/54/85/373165485.db2.gz BDIAUOVLSWPAPZ-ZACQAIPSSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C1CCCC1 ZINC000367604374 373165488 /nfs/dbraw/zinc/16/54/88/373165488.db2.gz BDIAUOVLSWPAPZ-ZACQAIPSSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@@H](NCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000643506861 373166391 /nfs/dbraw/zinc/16/63/91/373166391.db2.gz KNKSXAWSZXRFLW-QAPCUYQASA-N 2 1 287.451 2.381 20 0 CEADMP CC(C)c1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)on1 ZINC000643455041 373125771 /nfs/dbraw/zinc/12/57/71/373125771.db2.gz ZIIBNIOPTCLAHS-YPMHNXCESA-N 2 1 251.374 2.276 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457552 373126914 /nfs/dbraw/zinc/12/69/14/373126914.db2.gz MFBFCQHIWZJYBR-KSZLIROESA-N 2 1 287.451 2.368 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccncc1 ZINC000643460238 373129901 /nfs/dbraw/zinc/12/99/01/373129901.db2.gz DEZNRLUIIOKDIX-RYUDHWBXSA-N 2 1 256.353 2.343 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCC1 ZINC000367638636 373171327 /nfs/dbraw/zinc/17/13/27/373171327.db2.gz PLPLOENLDBAPBM-BFHYXJOUSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000643478079 373147049 /nfs/dbraw/zinc/14/70/49/373147049.db2.gz WAZUGUOGYSODFO-KEYYUXOJSA-N 2 1 258.409 2.379 20 0 CEADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643528553 373185552 /nfs/dbraw/zinc/18/55/52/373185552.db2.gz LIGQYNCLLFTMHB-RYUDHWBXSA-N 2 1 278.400 2.214 20 0 CEADMP C[C@H]([NH3+])CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000643527829 373185659 /nfs/dbraw/zinc/18/56/59/373185659.db2.gz TZKVXWODQJNBDP-LLLHUVSDSA-N 2 1 273.424 2.119 20 0 CEADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000643528694 373185677 /nfs/dbraw/zinc/18/56/77/373185677.db2.gz NDCOFFSLKTULMU-PRHODGIISA-N 2 1 269.186 2.373 20 0 CEADMP CC(C)CN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643548049 373206050 /nfs/dbraw/zinc/20/60/50/373206050.db2.gz MHRIJUHJZZWFLQ-ZMSDIMECSA-N 2 1 279.472 2.085 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1ccncc1 ZINC000272374153 373452777 /nfs/dbraw/zinc/45/27/77/373452777.db2.gz PZMBJZQSJSWPLQ-UHFFFAOYSA-N 2 1 258.369 2.151 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1ccncc1 ZINC000272374153 373452790 /nfs/dbraw/zinc/45/27/90/373452790.db2.gz PZMBJZQSJSWPLQ-UHFFFAOYSA-N 2 1 258.369 2.151 20 0 CEADMP CN(CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000131720954 220200538 /nfs/dbraw/zinc/20/05/38/220200538.db2.gz WMXLOFZFBHVRFK-INIZCTEOSA-N 2 1 275.440 2.396 20 0 CEADMP CN(CC[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000131720954 220200544 /nfs/dbraw/zinc/20/05/44/220200544.db2.gz WMXLOFZFBHVRFK-INIZCTEOSA-N 2 1 275.440 2.396 20 0 CEADMP CN(CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000131720954 220200547 /nfs/dbraw/zinc/20/05/47/220200547.db2.gz WMXLOFZFBHVRFK-INIZCTEOSA-N 2 1 275.440 2.396 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1(C(=O)OC)CCC1 ZINC000369836538 373519870 /nfs/dbraw/zinc/51/98/70/373519870.db2.gz VMQYUHVYPGKVTF-ZNMIVQPWSA-N 2 1 294.439 2.325 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCC2)[C@H]2CCC[C@H]21 ZINC000353630929 220206688 /nfs/dbraw/zinc/20/66/88/220206688.db2.gz JPZXEJUFMCYGGW-QLFBSQMISA-N 2 1 266.429 2.002 20 0 CEADMP O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000644552215 373526215 /nfs/dbraw/zinc/52/62/15/373526215.db2.gz HFXVUPQWRIDPTI-ZDEQEGDKSA-N 2 1 292.345 2.049 20 0 CEADMP Cc1n[nH]cc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000370109578 373582110 /nfs/dbraw/zinc/58/21/10/373582110.db2.gz FSLAVBWRXGDFOO-UHFFFAOYSA-N 2 1 262.401 2.215 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000644669305 373596945 /nfs/dbraw/zinc/59/69/45/373596945.db2.gz VWZLATQTSUQZTI-ZWKOTPCHSA-N 2 1 290.451 2.302 20 0 CEADMP C[C@@H]([NH2+]CCn1ccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272553285 373548571 /nfs/dbraw/zinc/54/85/71/373548571.db2.gz SXSBLEUOBBBAMR-SJLPKXTDSA-N 2 1 298.434 2.383 20 0 CEADMP C[C@@H](O)C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000644607304 373556188 /nfs/dbraw/zinc/55/61/88/373556188.db2.gz DZQVMFAEZSAJBO-ZMSDIMECSA-N 2 1 276.424 2.258 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247176668 220220207 /nfs/dbraw/zinc/22/02/07/220220207.db2.gz ROGBKIDWDOGGKE-DZGCQCFKSA-N 2 1 290.407 2.278 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247176668 220220212 /nfs/dbraw/zinc/22/02/12/220220212.db2.gz ROGBKIDWDOGGKE-DZGCQCFKSA-N 2 1 290.407 2.278 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272851484 373681245 /nfs/dbraw/zinc/68/12/45/373681245.db2.gz SOWXVVUNALTZBA-HPBDAGMYSA-N 2 1 288.435 2.400 20 0 CEADMP C1=CO[C@H](C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000370692931 373719941 /nfs/dbraw/zinc/71/99/41/373719941.db2.gz WCEOUEONDAMZIE-QXSJWSMHSA-N 2 1 262.397 2.095 20 0 CEADMP C1=CO[C@H](C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000370692931 373719946 /nfs/dbraw/zinc/71/99/46/373719946.db2.gz WCEOUEONDAMZIE-QXSJWSMHSA-N 2 1 262.397 2.095 20 0 CEADMP C1=CO[C@H](C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000370692931 373719949 /nfs/dbraw/zinc/71/99/49/373719949.db2.gz WCEOUEONDAMZIE-QXSJWSMHSA-N 2 1 262.397 2.095 20 0 CEADMP Cc1cnc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)o1 ZINC000370723544 373725750 /nfs/dbraw/zinc/72/57/50/373725750.db2.gz HLUXMHNJUMIQBC-GFCCVEGCSA-N 2 1 260.341 2.096 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)n1 ZINC000370746921 373737282 /nfs/dbraw/zinc/73/72/82/373737282.db2.gz JPMQVJOOCKPSSZ-HIFRSBDPSA-N 2 1 299.422 2.138 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)n1 ZINC000370746921 373737291 /nfs/dbraw/zinc/73/72/91/373737291.db2.gz JPMQVJOOCKPSSZ-HIFRSBDPSA-N 2 1 299.422 2.138 20 0 CEADMP CC(C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289548824 197399755 /nfs/dbraw/zinc/39/97/55/197399755.db2.gz DBXKAIYPGKZTEM-IRXDYDNUSA-N 2 1 276.424 2.428 20 0 CEADMP CC(C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289548824 197399756 /nfs/dbraw/zinc/39/97/56/197399756.db2.gz DBXKAIYPGKZTEM-IRXDYDNUSA-N 2 1 276.424 2.428 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000371264678 373824874 /nfs/dbraw/zinc/82/48/74/373824874.db2.gz PVUHGTPQZDYERJ-CWRNSKLLSA-N 2 1 293.455 2.027 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371445455 373885146 /nfs/dbraw/zinc/88/51/46/373885146.db2.gz HXBGTEAHVJSTNP-KBPBESRZSA-N 2 1 276.428 2.424 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371445455 373885155 /nfs/dbraw/zinc/88/51/55/373885155.db2.gz HXBGTEAHVJSTNP-KBPBESRZSA-N 2 1 276.428 2.424 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(C)(C)C ZINC000371471032 373893802 /nfs/dbraw/zinc/89/38/02/373893802.db2.gz QIUOHAXIXADFFZ-MGPQQGTHSA-N 2 1 254.418 2.216 20 0 CEADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)o1 ZINC000371468293 373894334 /nfs/dbraw/zinc/89/43/34/373894334.db2.gz ANOAWRPUHSOFOX-VNQPRFMTSA-N 2 1 278.396 2.272 20 0 CEADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)o1 ZINC000371468293 373894340 /nfs/dbraw/zinc/89/43/40/373894340.db2.gz ANOAWRPUHSOFOX-VNQPRFMTSA-N 2 1 278.396 2.272 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000274462475 373932362 /nfs/dbraw/zinc/93/23/62/373932362.db2.gz TVDNYBDDZXOYEB-UHFFFAOYSA-N 2 1 263.316 2.216 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000274652202 374000897 /nfs/dbraw/zinc/00/08/97/374000897.db2.gz CFKWMNHEMMPOLG-NSHDSACASA-N 2 1 278.400 2.253 20 0 CEADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372066313 374035270 /nfs/dbraw/zinc/03/52/70/374035270.db2.gz YHUXQEHZZBDGFH-MGPQQGTHSA-N 2 1 286.485 2.359 20 0 CEADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372066313 374035277 /nfs/dbraw/zinc/03/52/77/374035277.db2.gz YHUXQEHZZBDGFH-MGPQQGTHSA-N 2 1 286.485 2.359 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000372069134 374037106 /nfs/dbraw/zinc/03/71/06/374037106.db2.gz WMZQJWISTRQNGX-DLBZAZTESA-N 2 1 289.423 2.442 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000343112045 220248784 /nfs/dbraw/zinc/24/87/84/220248784.db2.gz WEXJPXMYECHNEZ-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000343112045 220248786 /nfs/dbraw/zinc/24/87/86/220248786.db2.gz WEXJPXMYECHNEZ-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000343112045 220248789 /nfs/dbraw/zinc/24/87/89/220248789.db2.gz WEXJPXMYECHNEZ-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP COC(=O)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000275051534 374140164 /nfs/dbraw/zinc/14/01/64/374140164.db2.gz SZNWNWMKPMUHHR-BBRMVZONSA-N 2 1 290.407 2.245 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000275051534 374140168 /nfs/dbraw/zinc/14/01/68/374140168.db2.gz SZNWNWMKPMUHHR-BBRMVZONSA-N 2 1 290.407 2.245 20 0 CEADMP COC(=O)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000275051534 374140175 /nfs/dbraw/zinc/14/01/75/374140175.db2.gz SZNWNWMKPMUHHR-BBRMVZONSA-N 2 1 290.407 2.245 20 0 CEADMP COC(=O)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000275051534 374140178 /nfs/dbraw/zinc/14/01/78/374140178.db2.gz SZNWNWMKPMUHHR-BBRMVZONSA-N 2 1 290.407 2.245 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC[C@H]2CCOC2)C1 ZINC000645811934 374200754 /nfs/dbraw/zinc/20/07/54/374200754.db2.gz ZUCXTZJYCLUSHQ-JKSUJKDBSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000645811934 374200757 /nfs/dbraw/zinc/20/07/57/374200757.db2.gz ZUCXTZJYCLUSHQ-JKSUJKDBSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645811934 374200762 /nfs/dbraw/zinc/20/07/62/374200762.db2.gz ZUCXTZJYCLUSHQ-JKSUJKDBSA-N 2 1 268.445 2.467 20 0 CEADMP COc1cccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000276655804 374253497 /nfs/dbraw/zinc/25/34/97/374253497.db2.gz MZYZKQHEYNZHJT-LBPRGKRZSA-N 2 1 259.353 2.322 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC[C@@H]2CCOC2)CC1 ZINC000645892140 374257878 /nfs/dbraw/zinc/25/78/78/374257878.db2.gz LNAZLVNAKIDHJS-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000373106521 374267979 /nfs/dbraw/zinc/26/79/79/374267979.db2.gz JYFNRICPNMNYOU-AWEZNQCLSA-N 2 1 256.353 2.195 20 0 CEADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000373018017 374243308 /nfs/dbraw/zinc/24/33/08/374243308.db2.gz IJJLVFQKMRLZFF-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(c2nccs2)CC1 ZINC000373321081 374327814 /nfs/dbraw/zinc/32/78/14/374327814.db2.gz ZGQABXDAXJGCCH-CYBMUJFWSA-N 2 1 296.484 2.432 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2nccs2)CC1 ZINC000373321081 374327825 /nfs/dbraw/zinc/32/78/25/374327825.db2.gz ZGQABXDAXJGCCH-CYBMUJFWSA-N 2 1 296.484 2.432 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373563347 374380740 /nfs/dbraw/zinc/38/07/40/374380740.db2.gz UJRRNQIBMLELOV-IPYPFGDCSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373563347 374380748 /nfs/dbraw/zinc/38/07/48/374380748.db2.gz UJRRNQIBMLELOV-IPYPFGDCSA-N 2 1 274.412 2.014 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000277184248 374430681 /nfs/dbraw/zinc/43/06/81/374430681.db2.gz LJTVNBMLKKXPHB-IRXDYDNUSA-N 2 1 276.424 2.006 20 0 CEADMP C[N@@H+](C[C@H]1CC12CC[NH+](CCC(C)(C)O)CC2)C1CC1 ZINC000374318384 374538647 /nfs/dbraw/zinc/53/86/47/374538647.db2.gz QQHPSBNCLZPUJD-CQSZACIVSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2[C@H]1C=CCCC1 ZINC000374431358 374572705 /nfs/dbraw/zinc/57/27/05/374572705.db2.gz XCOPYDZUOAMUQH-JJXSEGSLSA-N 2 1 264.413 2.279 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000375286734 374648975 /nfs/dbraw/zinc/64/89/75/374648975.db2.gz KYMHPXHLDCOXCL-PMPSAXMXSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)C[C@H](C)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000375593957 374663963 /nfs/dbraw/zinc/66/39/63/374663963.db2.gz BDSIPVWADFSCJS-IRXDYDNUSA-N 2 1 281.488 2.380 20 0 CEADMP C[N@H+]1CC[C@@H](CNCc2ccccn2)[C@@H]1c1cccnc1 ZINC000377295938 374832530 /nfs/dbraw/zinc/83/25/30/374832530.db2.gz CUBXVIOWDHVDLK-RDJZCZTQSA-N 2 1 282.391 2.259 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000278455336 374822606 /nfs/dbraw/zinc/82/26/06/374822606.db2.gz WYKPHMAUABUBEA-UHFFFAOYSA-N 2 1 253.365 2.349 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000278455336 374822613 /nfs/dbraw/zinc/82/26/13/374822613.db2.gz WYKPHMAUABUBEA-UHFFFAOYSA-N 2 1 253.365 2.349 20 0 CEADMP CC[C@H](C[NH2+][C@H]1CCC[C@@H](OC)C1)[NH+]1CCCC1 ZINC000684368936 541985086 /nfs/dbraw/zinc/98/50/86/541985086.db2.gz HKDYHQUHCPJTQD-RRFJBIMHSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1ccnc([C@@H](C)[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000377702218 374929448 /nfs/dbraw/zinc/92/94/48/374929448.db2.gz PWQKMEBICRKHBM-KGLIPLIRSA-N 2 1 270.380 2.500 20 0 CEADMP Cn1ccnc1CNC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000377757628 374945061 /nfs/dbraw/zinc/94/50/61/374945061.db2.gz ADJXGLXNDLBNQN-DOTOQJQBSA-N 2 1 284.407 2.203 20 0 CEADMP C[N@H+](C[C@@H]1CCn2cc[nH+]c2C1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000377660206 374914022 /nfs/dbraw/zinc/91/40/22/374914022.db2.gz UQGHPQOHXJMCEY-SKDZVZGDSA-N 2 1 297.402 2.036 20 0 CEADMP C[N@@H+](C[C@@H]1CCn2cc[nH+]c2C1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000377660206 374914028 /nfs/dbraw/zinc/91/40/28/374914028.db2.gz UQGHPQOHXJMCEY-SKDZVZGDSA-N 2 1 297.402 2.036 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2C1CCCC1 ZINC000378369367 375084251 /nfs/dbraw/zinc/08/42/51/375084251.db2.gz JEHINPPDHLTMPG-ILXRZTDVSA-N 2 1 252.402 2.113 20 0 CEADMP c1cn(CCC[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000378444133 375100710 /nfs/dbraw/zinc/10/07/10/375100710.db2.gz VWLRYDQCUZPDHV-QGZVFWFLSA-N 3 1 290.455 2.471 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)c1cccs1)C1CC1 ZINC000382487830 375187127 /nfs/dbraw/zinc/18/71/27/375187127.db2.gz JMRSUHJRYPRAMG-ZDUSSCGKSA-N 2 1 282.453 2.070 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)c1cccs1)C1CC1 ZINC000382487830 375187133 /nfs/dbraw/zinc/18/71/33/375187133.db2.gz JMRSUHJRYPRAMG-ZDUSSCGKSA-N 2 1 282.453 2.070 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000384203156 375208947 /nfs/dbraw/zinc/20/89/47/375208947.db2.gz BGLSSWOMUFOFNY-HOCLYGCPSA-N 2 1 295.471 2.145 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N1CCC([NH2+]C(C)C)CC1 ZINC000280661714 375275989 /nfs/dbraw/zinc/27/59/89/375275989.db2.gz GSNSMGIREGUCFH-UHFFFAOYSA-N 2 1 291.395 2.225 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000386602368 375264197 /nfs/dbraw/zinc/26/41/97/375264197.db2.gz VANNWJFNORPDPT-DOMZBBRYSA-N 2 1 250.361 2.488 20 0 CEADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000386701775 375265361 /nfs/dbraw/zinc/26/53/61/375265361.db2.gz NPOXULPSFVGMNY-HOTGVXAUSA-N 2 1 298.471 2.018 20 0 CEADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000386701775 375265365 /nfs/dbraw/zinc/26/53/65/375265365.db2.gz NPOXULPSFVGMNY-HOTGVXAUSA-N 2 1 298.471 2.018 20 0 CEADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000386701781 375265943 /nfs/dbraw/zinc/26/59/43/375265943.db2.gz NPOXULPSFVGMNY-JKSUJKDBSA-N 2 1 298.471 2.018 20 0 CEADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000386701781 375265953 /nfs/dbraw/zinc/26/59/53/375265953.db2.gz NPOXULPSFVGMNY-JKSUJKDBSA-N 2 1 298.471 2.018 20 0 CEADMP C[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282390953 375473457 /nfs/dbraw/zinc/47/34/57/375473457.db2.gz DOMUWRXTAAWBPO-ZBFHGGJFSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282390953 375473461 /nfs/dbraw/zinc/47/34/61/375473461.db2.gz DOMUWRXTAAWBPO-ZBFHGGJFSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(O)c1 ZINC000282426956 375482326 /nfs/dbraw/zinc/48/23/26/375482326.db2.gz SWUOMXHOAKIJKX-AWEZNQCLSA-N 2 1 291.439 2.069 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CS1 ZINC000414493533 375836012 /nfs/dbraw/zinc/83/60/12/375836012.db2.gz CDLXQXIXINKSLW-CMPLNLGQSA-N 2 1 251.399 2.131 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)CC(=O)Nc2cccc(F)c2)CC[NH2+]1 ZINC000414672889 375911757 /nfs/dbraw/zinc/91/17/57/375911757.db2.gz IEAWZQJRAMEAKX-CHWSQXEVSA-N 2 1 293.386 2.084 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](C)CC(=O)Nc2cccc(F)c2)CC[NH2+]1 ZINC000414672892 375911923 /nfs/dbraw/zinc/91/19/23/375911923.db2.gz IEAWZQJRAMEAKX-QWHCGFSZSA-N 2 1 293.386 2.084 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414763413 375954402 /nfs/dbraw/zinc/95/44/02/375954402.db2.gz XLCAYXABWIFCJG-HOCLYGCPSA-N 2 1 284.444 2.271 20 0 CEADMP Cc1cccn2c(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cnc12 ZINC000414771250 375961903 /nfs/dbraw/zinc/96/19/03/375961903.db2.gz QRZYXKYQCTZZPU-GASCZTMLSA-N 2 1 284.407 2.074 20 0 CEADMP Fc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OC(F)F ZINC000414781265 375965101 /nfs/dbraw/zinc/96/51/01/375965101.db2.gz BYLXGNQMFZLLNQ-UHFFFAOYSA-N 2 1 274.286 2.269 20 0 CEADMP COc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1OC(F)F ZINC000414796064 375981022 /nfs/dbraw/zinc/98/10/22/375981022.db2.gz BQSHTWIJIKOJMA-UHFFFAOYSA-N 2 1 274.311 2.124 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414679159 375913620 /nfs/dbraw/zinc/91/36/20/375913620.db2.gz LFMFBINDTXRCOZ-HUUCEWRRSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)N1CCC([N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414679159 375913625 /nfs/dbraw/zinc/91/36/25/375913625.db2.gz LFMFBINDTXRCOZ-HUUCEWRRSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)N1CCC([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414679159 375913628 /nfs/dbraw/zinc/91/36/28/375913628.db2.gz LFMFBINDTXRCOZ-HUUCEWRRSA-N 2 1 267.461 2.179 20 0 CEADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)ccc1O ZINC000414680643 375915617 /nfs/dbraw/zinc/91/56/17/375915617.db2.gz NITDPRKEJPJZIC-TZMCWYRMSA-N 2 1 278.396 2.221 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccccc1NC(C)=O ZINC000414804995 375991528 /nfs/dbraw/zinc/99/15/28/375991528.db2.gz FZNYTHHBBAWAAN-UHFFFAOYSA-N 2 1 263.385 2.252 20 0 CEADMP COc1ccc(C[C@H](C)C[NH2+][C@H](C[NH3+])C2CC2)cc1F ZINC000414806844 375993399 /nfs/dbraw/zinc/99/33/99/375993399.db2.gz NMQGSQBPXWZOHO-XHDPSFHLSA-N 2 1 280.387 2.340 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(Br)cc1)C1CC1 ZINC000414809842 375995895 /nfs/dbraw/zinc/99/58/95/375995895.db2.gz UQVYMXXRDOGLDM-GFCCVEGCSA-N 2 1 269.186 2.276 20 0 CEADMP C[C@H](C[C@H]1CCC[NH2+]1)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000414816574 376002209 /nfs/dbraw/zinc/00/22/09/376002209.db2.gz QCMROVIFIXHNDL-DVOMOZLQSA-N 2 1 261.413 2.327 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000415895391 376029002 /nfs/dbraw/zinc/02/90/02/376029002.db2.gz AWWZPHODDVZKQT-CYBMUJFWSA-N 2 1 292.427 2.256 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000414801862 375986672 /nfs/dbraw/zinc/98/66/72/375986672.db2.gz UXLIUNUGDGTMEQ-AWEZNQCLSA-N 2 1 261.344 2.447 20 0 CEADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1OC(F)F ZINC000414803227 375989660 /nfs/dbraw/zinc/98/96/60/375989660.db2.gz NJFPEQYQPMCITA-LLVKDONJSA-N 2 1 286.322 2.124 20 0 CEADMP Cc1ccnc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000286945126 376111000 /nfs/dbraw/zinc/11/10/00/376111000.db2.gz BJIRNJZVHUHRBJ-ZIAGYGMSSA-N 2 1 270.380 2.500 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CC(C)C ZINC000417349442 376186851 /nfs/dbraw/zinc/18/68/51/376186851.db2.gz FBRZROCWKCQGQN-ZNMIVQPWSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1[C@@H](NC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000287351628 376213846 /nfs/dbraw/zinc/21/38/46/376213846.db2.gz NMLLAXREMLGMAH-QAPCUYQASA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1[C@@H](NC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000287351628 376213853 /nfs/dbraw/zinc/21/38/53/376213853.db2.gz NMLLAXREMLGMAH-QAPCUYQASA-N 2 1 287.451 2.333 20 0 CEADMP CCc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000287616589 376277794 /nfs/dbraw/zinc/27/77/94/376277794.db2.gz SSPWYFHOLVGZMJ-RRQGHBQHSA-N 2 1 276.424 2.355 20 0 CEADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C[NH+]1CCCCCC1 ZINC000556753084 376477829 /nfs/dbraw/zinc/47/78/29/376477829.db2.gz DUOSBOTUNLZJRC-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C(=O)N1CCC[N@@H+](C)C[C@H]1CC)[NH+](CC)CC ZINC000684867931 542082100 /nfs/dbraw/zinc/08/21/00/542082100.db2.gz TXSJKNINRWTJIK-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP C[N@@H+](CCCCC1CCOCC1)C1CC[NH2+]CC1 ZINC000305895725 376531085 /nfs/dbraw/zinc/53/10/85/376531085.db2.gz HHQANUFWYPEPPR-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP Cc1[nH+]ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1Cl ZINC000684889161 542083392 /nfs/dbraw/zinc/08/33/92/542083392.db2.gz CPIKEXZZNZUHKW-JSGCOSHPSA-N 2 1 295.814 2.079 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290035767 376614066 /nfs/dbraw/zinc/61/40/66/376614066.db2.gz WEFIQWHWDLEECU-CQSZACIVSA-N 2 1 293.802 2.379 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290035767 376614076 /nfs/dbraw/zinc/61/40/76/376614076.db2.gz WEFIQWHWDLEECU-CQSZACIVSA-N 2 1 293.802 2.379 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H](C)CCCC[NH3+])[NH+]1CCCC1 ZINC000310844937 376640026 /nfs/dbraw/zinc/64/00/26/376640026.db2.gz IEAYDHILVGZKID-GJZGRUSLSA-N 3 1 255.450 2.214 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000559071249 376660437 /nfs/dbraw/zinc/66/04/37/376660437.db2.gz MZPBYJPBIHPSPE-OAHLLOKOSA-N 2 1 254.418 2.218 20 0 CEADMP C([NH2+]C(C1CCC1)C1CCC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000312928224 376733057 /nfs/dbraw/zinc/73/30/57/376733057.db2.gz DXROMLFCPKRHCI-HZPDHXFCSA-N 2 1 278.440 2.408 20 0 CEADMP C([NH2+]C(C1CCC1)C1CCC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000312928224 376733061 /nfs/dbraw/zinc/73/30/61/376733061.db2.gz DXROMLFCPKRHCI-HZPDHXFCSA-N 2 1 278.440 2.408 20 0 CEADMP C([NH2+]C(C1CCC1)C1CCC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000312928231 376733109 /nfs/dbraw/zinc/73/31/09/376733109.db2.gz DXROMLFCPKRHCI-JKSUJKDBSA-N 2 1 278.440 2.408 20 0 CEADMP C([NH2+]C(C1CCC1)C1CCC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000312928231 376733112 /nfs/dbraw/zinc/73/31/12/376733112.db2.gz DXROMLFCPKRHCI-JKSUJKDBSA-N 2 1 278.440 2.408 20 0 CEADMP COc1cccc(OCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420388320 376686019 /nfs/dbraw/zinc/68/60/19/376686019.db2.gz WPZNQTLDBMGAJD-QGZVFWFLSA-N 2 1 290.407 2.150 20 0 CEADMP COc1cccc(OCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420388320 376686028 /nfs/dbraw/zinc/68/60/28/376686028.db2.gz WPZNQTLDBMGAJD-QGZVFWFLSA-N 2 1 290.407 2.150 20 0 CEADMP CCC1CCC([N@@H+](C)C[C@@H](O)CN(C)C2CC2)CC1 ZINC000311799658 376687397 /nfs/dbraw/zinc/68/73/97/376687397.db2.gz ZKJIBLBTTFVPHS-ZBCRRDGASA-N 2 1 268.445 2.342 20 0 CEADMP CCC1CCC([N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000311799658 376687409 /nfs/dbraw/zinc/68/74/09/376687409.db2.gz ZKJIBLBTTFVPHS-ZBCRRDGASA-N 2 1 268.445 2.342 20 0 CEADMP CCC1CCC([N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000311799658 376687417 /nfs/dbraw/zinc/68/74/17/376687417.db2.gz ZKJIBLBTTFVPHS-ZBCRRDGASA-N 2 1 268.445 2.342 20 0 CEADMP CCC1CCC([NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000311799658 376687424 /nfs/dbraw/zinc/68/74/24/376687424.db2.gz ZKJIBLBTTFVPHS-ZBCRRDGASA-N 2 1 268.445 2.342 20 0 CEADMP CCC1CCC([NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000311799658 376687433 /nfs/dbraw/zinc/68/74/33/376687433.db2.gz ZKJIBLBTTFVPHS-ZBCRRDGASA-N 2 1 268.445 2.342 20 0 CEADMP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000312039111 376700748 /nfs/dbraw/zinc/70/07/48/376700748.db2.gz QFGWGSBASNHUOZ-RBSFLKMASA-N 2 1 264.413 2.162 20 0 CEADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)c(C[NH+](C)C)c1 ZINC000561246920 376804965 /nfs/dbraw/zinc/80/49/65/376804965.db2.gz JZGVGPPEGOHJGJ-CQSZACIVSA-N 2 1 289.423 2.335 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc(C)n2)[C@H](C)C1 ZINC000280582550 542132533 /nfs/dbraw/zinc/13/25/33/542132533.db2.gz MPANUKLTNCUYPK-CJNGLKHVSA-N 2 1 261.413 2.252 20 0 CEADMP CN(C)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC000685443120 542139672 /nfs/dbraw/zinc/13/96/72/542139672.db2.gz CRTVIRKPSRGYPK-XYPWUTKMSA-N 2 1 288.439 2.205 20 0 CEADMP CN(C)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC000685443120 542139676 /nfs/dbraw/zinc/13/96/76/542139676.db2.gz CRTVIRKPSRGYPK-XYPWUTKMSA-N 2 1 288.439 2.205 20 0 CEADMP CN(C)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000685443120 542139677 /nfs/dbraw/zinc/13/96/77/542139677.db2.gz CRTVIRKPSRGYPK-XYPWUTKMSA-N 2 1 288.439 2.205 20 0 CEADMP CN(C)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000685443120 542139680 /nfs/dbraw/zinc/13/96/80/542139680.db2.gz CRTVIRKPSRGYPK-XYPWUTKMSA-N 2 1 288.439 2.205 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)ccc21 ZINC000290527320 376820665 /nfs/dbraw/zinc/82/06/65/376820665.db2.gz QJNFVEWTFPGBHF-DOTOQJQBSA-N 2 1 298.434 2.489 20 0 CEADMP Cn1cnc2cc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@H]43)ccc21 ZINC000290527320 376820668 /nfs/dbraw/zinc/82/06/68/376820668.db2.gz QJNFVEWTFPGBHF-DOTOQJQBSA-N 2 1 298.434 2.489 20 0 CEADMP Cn1cnc2cc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@H]43)ccc21 ZINC000290527320 376820671 /nfs/dbraw/zinc/82/06/71/376820671.db2.gz QJNFVEWTFPGBHF-DOTOQJQBSA-N 2 1 298.434 2.489 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000290528138 376820801 /nfs/dbraw/zinc/82/08/01/376820801.db2.gz VCMBTBGVJYCSEZ-ZDUSSCGKSA-N 2 1 287.411 2.122 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000290528138 376820807 /nfs/dbraw/zinc/82/08/07/376820807.db2.gz VCMBTBGVJYCSEZ-ZDUSSCGKSA-N 2 1 287.411 2.122 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]c3nccnc23)C1 ZINC000290528138 376820813 /nfs/dbraw/zinc/82/08/13/376820813.db2.gz VCMBTBGVJYCSEZ-ZDUSSCGKSA-N 2 1 287.411 2.122 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]c3nccnc23)C1 ZINC000290528138 376820819 /nfs/dbraw/zinc/82/08/19/376820819.db2.gz VCMBTBGVJYCSEZ-ZDUSSCGKSA-N 2 1 287.411 2.122 20 0 CEADMP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc2c1OCO2 ZINC000290559593 376833301 /nfs/dbraw/zinc/83/33/01/376833301.db2.gz SHUXXYKBEWGCLD-TZMCWYRMSA-N 2 1 276.380 2.187 20 0 CEADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cccc2c1OCO2 ZINC000290559593 376833306 /nfs/dbraw/zinc/83/33/06/376833306.db2.gz SHUXXYKBEWGCLD-TZMCWYRMSA-N 2 1 276.380 2.187 20 0 CEADMP CCc1nc(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)cs1 ZINC000328305106 376848038 /nfs/dbraw/zinc/84/80/38/376848038.db2.gz DXQOHKTXDHOSDH-NSHDSACASA-N 2 1 253.415 2.137 20 0 CEADMP CCc1nc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cs1 ZINC000328305106 376848044 /nfs/dbraw/zinc/84/80/44/376848044.db2.gz DXQOHKTXDHOSDH-NSHDSACASA-N 2 1 253.415 2.137 20 0 CEADMP Cc1nc(C)c(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)s1 ZINC000422891372 376854436 /nfs/dbraw/zinc/85/44/36/376854436.db2.gz VFKVVPHBPWMIFA-GXFFZTMASA-N 2 1 267.442 2.423 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(OCCO)cc2)c2ccccc21 ZINC000422936287 376865263 /nfs/dbraw/zinc/86/52/63/376865263.db2.gz BGFPALHBMLNTHS-ROUUACIJSA-N 2 1 298.386 2.292 20 0 CEADMP CCOCCC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCC1 ZINC000422948053 376871742 /nfs/dbraw/zinc/87/17/42/376871742.db2.gz ZHYCKGOSNVJJGI-ZIAGYGMSSA-N 2 1 254.418 2.171 20 0 CEADMP C[C@H]([NH2+]CCc1cccc(F)c1F)[C@H]1CCC[NH2+]1 ZINC000422953657 376878179 /nfs/dbraw/zinc/87/81/79/376878179.db2.gz FZAWBBBWBXKRAR-GXFFZTMASA-N 2 1 254.324 2.237 20 0 CEADMP CC(C)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)[NH+]1CCCC1 ZINC000422961645 376889168 /nfs/dbraw/zinc/88/91/68/376889168.db2.gz CRQKMICSWPDGOG-UYSNPLJNSA-N 3 1 267.461 2.214 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)N(C)C ZINC000422961629 376889240 /nfs/dbraw/zinc/88/92/40/376889240.db2.gz COXFIDFEUQGDQS-BPUTZDHNSA-N 2 1 269.477 2.331 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000423078582 376971578 /nfs/dbraw/zinc/97/15/78/376971578.db2.gz WHOWYOMGFHLENS-BZUAXINKSA-N 2 1 265.445 2.253 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000423078582 376971585 /nfs/dbraw/zinc/97/15/85/376971585.db2.gz WHOWYOMGFHLENS-BZUAXINKSA-N 2 1 265.445 2.253 20 0 CEADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423085347 376979918 /nfs/dbraw/zinc/97/99/18/376979918.db2.gz KGONFZZQXZBXAU-RBDSIQFVSA-N 2 1 274.364 2.063 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000422987185 376906900 /nfs/dbraw/zinc/90/69/00/376906900.db2.gz FQHYMJBCAICODB-IUODEOHRSA-N 2 1 262.401 2.215 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000422987186 376908372 /nfs/dbraw/zinc/90/83/72/376908372.db2.gz FQHYMJBCAICODB-SWLSCSKDSA-N 2 1 262.401 2.215 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422996351 376911725 /nfs/dbraw/zinc/91/17/25/376911725.db2.gz LMFUSZXESUJHQD-ARFHVFGLSA-N 2 1 267.461 2.085 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc2nccn2c1 ZINC000290779749 376921685 /nfs/dbraw/zinc/92/16/85/376921685.db2.gz CHOKJGFTEQCQDN-CYBMUJFWSA-N 2 1 288.395 2.185 20 0 CEADMP Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000423068473 376959921 /nfs/dbraw/zinc/95/99/21/376959921.db2.gz JXVXYNDYSNBGEF-UKRRQHHQSA-N 2 1 285.391 2.057 20 0 CEADMP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000423069913 376961694 /nfs/dbraw/zinc/96/16/94/376961694.db2.gz FKJXYGOOFJTSSP-HUUCEWRRSA-N 3 1 267.461 2.216 20 0 CEADMP C[C@H](NCC[N@H+]1CCCC(C)(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423074252 376966662 /nfs/dbraw/zinc/96/66/62/376966662.db2.gz LIKIMWDACSKNAJ-GJZGRUSLSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H]([NH2+]C1CC(C(F)(F)F)C1)c1c[nH+]ccc1N ZINC000423119389 377014973 /nfs/dbraw/zinc/01/49/73/377014973.db2.gz DSAAMHHMUFDTPG-UEJVZZJDSA-N 2 1 259.275 2.486 20 0 CEADMP COC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000562946037 377030739 /nfs/dbraw/zinc/03/07/39/377030739.db2.gz IDVJPCAJJFBUQE-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP COC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@H+]1CC(C)C ZINC000562946037 377030748 /nfs/dbraw/zinc/03/07/48/377030748.db2.gz IDVJPCAJJFBUQE-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP COc1cc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)ccc1Cl ZINC000423136347 377035825 /nfs/dbraw/zinc/03/58/25/377035825.db2.gz PEFYRQQFEJQAPD-BXUZGUMPSA-N 2 1 282.815 2.479 20 0 CEADMP CC[C@H]([NH2+]CCc1cccnc1OC)[C@@H]1CCCC[NH2+]1 ZINC000423142515 377041688 /nfs/dbraw/zinc/04/16/88/377041688.db2.gz VNZUCENWALFTPC-GJZGRUSLSA-N 2 1 277.412 2.143 20 0 CEADMP C1=C(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCC1 ZINC000423143904 377042738 /nfs/dbraw/zinc/04/27/38/377042738.db2.gz FLRVNKQYFDYKGC-BZUAXINKSA-N 2 1 264.413 2.234 20 0 CEADMP CCN(C)C(=O)[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C(C)C ZINC000423149600 377048474 /nfs/dbraw/zinc/04/84/74/377048474.db2.gz AMNWFRCFBDWZJV-PMPSAXMXSA-N 2 1 289.423 2.224 20 0 CEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423101680 376996548 /nfs/dbraw/zinc/99/65/48/376996548.db2.gz WGSQIRMOSZJOBT-YIDVYQOGSA-N 2 1 266.429 2.169 20 0 CEADMP Cc1cccc(CCC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)n1 ZINC000423111139 377004758 /nfs/dbraw/zinc/00/47/58/377004758.db2.gz VXVRQOSIYQESBL-GOEBONIOSA-N 2 1 261.413 2.443 20 0 CEADMP C[C@@H]([NH2+]CC1(c2ccccn2)CCC1)[C@H]1CCC[NH2+]1 ZINC000423114760 377010358 /nfs/dbraw/zinc/01/03/58/377010358.db2.gz WGEBDBAMUXERPL-ZIAGYGMSSA-N 2 1 259.397 2.233 20 0 CEADMP C[C@@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)C1C[NH2+]C1 ZINC000423154313 377055833 /nfs/dbraw/zinc/05/58/33/377055833.db2.gz ONTDIEPOPUZWNF-OAHLLOKOSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]([NH2+]CC1(N(C)Cc2ccccc2)CCC1)C1C[NH2+]C1 ZINC000423154313 377055841 /nfs/dbraw/zinc/05/58/41/377055841.db2.gz ONTDIEPOPUZWNF-OAHLLOKOSA-N 2 1 287.451 2.239 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCN1C[C@@H]1CCCC[NH+]1C(C)C ZINC000563024028 377064744 /nfs/dbraw/zinc/06/47/44/377064744.db2.gz XHVGTOVFHQHWKI-CVEARBPZSA-N 2 1 267.461 2.275 20 0 CEADMP CC[C@@H]1C[NH+](C)CCN1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000563024028 377064752 /nfs/dbraw/zinc/06/47/52/377064752.db2.gz XHVGTOVFHQHWKI-CVEARBPZSA-N 2 1 267.461 2.275 20 0 CEADMP CC[C@@H]1C[NH+](C)CCN1C[C@@H]1CCCC[N@H+]1C(C)C ZINC000563024028 377064761 /nfs/dbraw/zinc/06/47/61/377064761.db2.gz XHVGTOVFHQHWKI-CVEARBPZSA-N 2 1 267.461 2.275 20 0 CEADMP CSCC1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423163858 377067272 /nfs/dbraw/zinc/06/72/72/377067272.db2.gz VWLWNKNPOGKZSG-GFJIZPEISA-N 2 1 256.459 2.496 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+])C1CC1 ZINC000423164121 377067905 /nfs/dbraw/zinc/06/79/05/377067905.db2.gz NZPPNGRCSRNGQV-CABCVRRESA-N 3 1 253.434 2.110 20 0 CEADMP C[N@H+](CCCC[NH2+][C@H]1CCCCC[C@H]1N)C1CC1 ZINC000423164121 377067912 /nfs/dbraw/zinc/06/79/12/377067912.db2.gz NZPPNGRCSRNGQV-CABCVRRESA-N 2 1 253.434 2.110 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1CCCCC[C@H]1N)C1CC1 ZINC000423164121 377067921 /nfs/dbraw/zinc/06/79/21/377067921.db2.gz NZPPNGRCSRNGQV-CABCVRRESA-N 2 1 253.434 2.110 20 0 CEADMP COc1cccc2c1C[C@@H]([NH2+][C@H](C)c1c[nH+]ccc1N)C2 ZINC000423164851 377069078 /nfs/dbraw/zinc/06/90/78/377069078.db2.gz AKVYLNVWDQRRBL-YPMHNXCESA-N 2 1 283.375 2.321 20 0 CEADMP COc1cc(F)cc(C[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000423168629 377073811 /nfs/dbraw/zinc/07/38/11/377073811.db2.gz UWXPCPDVSLDMFI-HSMVNMDESA-N 2 1 280.387 2.495 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000563095568 377093106 /nfs/dbraw/zinc/09/31/06/377093106.db2.gz AFKZSQAOUWYPEQ-CYBMUJFWSA-N 2 1 259.397 2.002 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000563095568 377093116 /nfs/dbraw/zinc/09/31/16/377093116.db2.gz AFKZSQAOUWYPEQ-CYBMUJFWSA-N 2 1 259.397 2.002 20 0 CEADMP [NH3+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423192168 377105253 /nfs/dbraw/zinc/10/52/53/377105253.db2.gz PRVJFEOLWSEMDZ-KZNAEPCWSA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423192168 377105265 /nfs/dbraw/zinc/10/52/65/377105265.db2.gz PRVJFEOLWSEMDZ-KZNAEPCWSA-N 3 1 287.451 2.368 20 0 CEADMP [NH3+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423192168 377105277 /nfs/dbraw/zinc/10/52/77/377105277.db2.gz PRVJFEOLWSEMDZ-KZNAEPCWSA-N 3 1 287.451 2.368 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Cl)cn1 ZINC000423218387 377133276 /nfs/dbraw/zinc/13/32/76/377133276.db2.gz VHXWXJSGSRZQMK-MNOVXSKESA-N 2 1 253.777 2.385 20 0 CEADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1nc2c(s1)CCCC2 ZINC000423223252 377139717 /nfs/dbraw/zinc/13/97/17/377139717.db2.gz FPVBYBLZWJKBQB-VHSXEESVSA-N 2 1 253.415 2.410 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423261145 377178912 /nfs/dbraw/zinc/17/89/12/377178912.db2.gz JFUQDRQTNRRXEQ-LSDHHAIUSA-N 2 1 276.428 2.295 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000423260213 377179880 /nfs/dbraw/zinc/17/98/80/377179880.db2.gz GYQUYVRVLMIKKD-JSGCOSHPSA-N 2 1 278.396 2.482 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](C[NH3+])C1CC1)CCC2 ZINC000423264594 377181138 /nfs/dbraw/zinc/18/11/38/377181138.db2.gz AGYHRMNDLBFJSW-HZPDHXFCSA-N 2 1 260.381 2.400 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000423263915 377181961 /nfs/dbraw/zinc/18/19/61/377181961.db2.gz BKMLLJLOSYGLFL-WCQYABFASA-N 2 1 264.369 2.092 20 0 CEADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H](C[NH3+])C1CC1 ZINC000423265469 377184915 /nfs/dbraw/zinc/18/49/15/377184915.db2.gz AXUMIFSAHSLQJR-QWHCGFSZSA-N 2 1 264.344 2.149 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](COC)c1cccc(Cl)c1 ZINC000423269549 377189513 /nfs/dbraw/zinc/18/95/13/377189513.db2.gz HEGRUMLAAAGOLL-FZMZJTMJSA-N 2 1 270.804 2.473 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000423280595 377207822 /nfs/dbraw/zinc/20/78/22/377207822.db2.gz UVKWELWUQTUTIX-VXGBXAGGSA-N 2 1 260.385 2.079 20 0 CEADMP COCCOc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423286328 377215094 /nfs/dbraw/zinc/21/50/94/377215094.db2.gz GOQSCRPTRWUQQC-GFCCVEGCSA-N 2 1 266.385 2.100 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000423289314 377219409 /nfs/dbraw/zinc/21/94/09/377219409.db2.gz WSZMIQUDJULCCJ-UHFFFAOYSA-N 2 1 290.455 2.153 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000563444537 377226895 /nfs/dbraw/zinc/22/68/95/377226895.db2.gz OGBRDZBEVVFELK-CZPYZCIJSA-N 2 1 292.398 2.448 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000563444538 377227413 /nfs/dbraw/zinc/22/74/13/377227413.db2.gz OGBRDZBEVVFELK-MPTQWLOMSA-N 2 1 292.398 2.448 20 0 CEADMP C[C@H]([NH2+]CCCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423323366 377255359 /nfs/dbraw/zinc/25/53/59/377255359.db2.gz JGQNTSAEHAKMMR-DOTOQJQBSA-N 3 1 275.440 2.226 20 0 CEADMP C[C@H]([NH2+]CCCC[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423323366 377255360 /nfs/dbraw/zinc/25/53/60/377255360.db2.gz JGQNTSAEHAKMMR-DOTOQJQBSA-N 2 1 275.440 2.226 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423323083 377255931 /nfs/dbraw/zinc/25/59/31/377255931.db2.gz JKSAEKCHTXIIAK-XUJVJEKNSA-N 2 1 266.360 2.230 20 0 CEADMP CC(C)[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000423325977 377258097 /nfs/dbraw/zinc/25/80/97/377258097.db2.gz KHDKTSBZQAYMCK-OWCLPIDISA-N 2 1 297.487 2.234 20 0 CEADMP [NH3+][C@@H](C[NH2+][C@@H]1CSCCc2ccccc21)C1CC1 ZINC000423326870 377260057 /nfs/dbraw/zinc/26/00/57/377260057.db2.gz RGMPPPIEUDKKGM-LSDHHAIUSA-N 2 1 262.422 2.344 20 0 CEADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(C)c1OC ZINC000423275631 377200565 /nfs/dbraw/zinc/20/05/65/377200565.db2.gz MAEFWDDQSSCTRP-RISCZKNCSA-N 2 1 278.396 2.400 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(C)c1OC ZINC000423277231 377201977 /nfs/dbraw/zinc/20/19/77/377201977.db2.gz OAHMWUNDBINNRR-ABAIWWIYSA-N 2 1 292.423 2.270 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423277360 377202515 /nfs/dbraw/zinc/20/25/15/377202515.db2.gz PKMIBYMMHOBDFO-USXIJHARSA-N 2 1 275.440 2.222 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC(C2CCCC2)CC1)C1CC1 ZINC000685565441 542158156 /nfs/dbraw/zinc/15/81/56/542158156.db2.gz HFMVGCNTRUJLAK-QGZVFWFLSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C2CCCC2)CC1)C1CC1 ZINC000685565441 542158158 /nfs/dbraw/zinc/15/81/58/542158158.db2.gz HFMVGCNTRUJLAK-QGZVFWFLSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000423278174 377205077 /nfs/dbraw/zinc/20/50/77/377205077.db2.gz QRFJHANCIZRDMN-RYUDHWBXSA-N 2 1 293.411 2.160 20 0 CEADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423280893 377207352 /nfs/dbraw/zinc/20/73/52/377207352.db2.gz TVUKSGITSJMJIN-KBPBESRZSA-N 2 1 264.344 2.149 20 0 CEADMP Cn1cc(C[NH2+]CCC[NH+]2CCC2)c(-c2ccccc2)n1 ZINC000563975265 377330486 /nfs/dbraw/zinc/33/04/86/377330486.db2.gz FSASQQGCJLRKRN-UHFFFAOYSA-N 2 1 284.407 2.273 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC12CCOCC2)C1CC1 ZINC000563785211 377291485 /nfs/dbraw/zinc/29/14/85/377291485.db2.gz HNPUOCQJJGDJLB-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1ccc([C@H]([NH2+]C[C@H](O)C[NH+](C)C)C2CCC2)cc1 ZINC000427715517 377438324 /nfs/dbraw/zinc/43/83/24/377438324.db2.gz QLNFWBVEERARKG-DLBZAZTESA-N 2 1 276.424 2.348 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)ncn1 ZINC000293073375 377418764 /nfs/dbraw/zinc/41/87/64/377418764.db2.gz HDWPOFLEYHIAKH-IUODEOHRSA-N 2 1 271.368 2.065 20 0 CEADMP Cc1cc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)ncn1 ZINC000293073375 377418766 /nfs/dbraw/zinc/41/87/66/377418766.db2.gz HDWPOFLEYHIAKH-IUODEOHRSA-N 2 1 271.368 2.065 20 0 CEADMP Cc1sccc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000293289517 377508075 /nfs/dbraw/zinc/50/80/75/377508075.db2.gz ORPXKKRRFNPZJT-UHFFFAOYSA-N 2 1 281.469 2.172 20 0 CEADMP Cc1cnc([C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000428366167 377491867 /nfs/dbraw/zinc/49/18/67/377491867.db2.gz WVBOATBJFNEUQP-LZWOXQAQSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1cnc([C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cn1 ZINC000428366167 377491873 /nfs/dbraw/zinc/49/18/73/377491873.db2.gz WVBOATBJFNEUQP-LZWOXQAQSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1cnc([C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cn1 ZINC000428366167 377491880 /nfs/dbraw/zinc/49/18/80/377491880.db2.gz WVBOATBJFNEUQP-LZWOXQAQSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1cnc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cn1 ZINC000428366167 377491889 /nfs/dbraw/zinc/49/18/89/377491889.db2.gz WVBOATBJFNEUQP-LZWOXQAQSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1cnc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000428366167 377491895 /nfs/dbraw/zinc/49/18/95/377491895.db2.gz WVBOATBJFNEUQP-LZWOXQAQSA-N 2 1 274.412 2.262 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)CC[NH2+]1 ZINC000564969674 377518436 /nfs/dbraw/zinc/51/84/36/377518436.db2.gz BEAPPKZZONVXRJ-KLHDSHLOSA-N 2 1 266.429 2.266 20 0 CEADMP COC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140788 284647118 /nfs/dbraw/zinc/64/71/18/284647118.db2.gz PRNULNAYBHEFSF-GFCCVEGCSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NC2CCCCCC2)C[C@@H]1C[NH3+] ZINC000332269150 377554277 /nfs/dbraw/zinc/55/42/77/377554277.db2.gz FXXRZRGPBHAVCD-KFWWJZLASA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NC2CCCCCC2)C[C@@H]1C[NH3+] ZINC000332269150 377554282 /nfs/dbraw/zinc/55/42/82/377554282.db2.gz FXXRZRGPBHAVCD-KFWWJZLASA-N 2 1 295.471 2.131 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000685666086 542177425 /nfs/dbraw/zinc/17/74/25/542177425.db2.gz ZESIWFRAJVBUDD-OWCLPIDISA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000685666086 542177429 /nfs/dbraw/zinc/17/74/29/542177429.db2.gz ZESIWFRAJVBUDD-OWCLPIDISA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000685666086 542177432 /nfs/dbraw/zinc/17/74/32/542177432.db2.gz ZESIWFRAJVBUDD-OWCLPIDISA-N 2 1 267.461 2.323 20 0 CEADMP COC1CCN(C(C)(C)C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000332299259 377563672 /nfs/dbraw/zinc/56/36/72/377563672.db2.gz KMLAZMIICRYANU-CVEARBPZSA-N 2 1 297.487 2.125 20 0 CEADMP COCCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000166848750 542212691 /nfs/dbraw/zinc/21/26/91/542212691.db2.gz IMAPWCFIKPBFFT-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1ccc(OCCC[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1C ZINC000313335982 249393437 /nfs/dbraw/zinc/39/34/37/249393437.db2.gz HUSXWVCSVHTVRB-KRWDZBQOSA-N 2 1 292.423 2.122 20 0 CEADMP Cc1cc(C)c(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c(C)c1 ZINC000565769252 377695168 /nfs/dbraw/zinc/69/51/68/377695168.db2.gz GKVCEEUFAPMRTB-INIZCTEOSA-N 2 1 276.424 2.157 20 0 CEADMP Cc1cc(C)c(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c(C)c1 ZINC000565769252 377695171 /nfs/dbraw/zinc/69/51/71/377695171.db2.gz GKVCEEUFAPMRTB-INIZCTEOSA-N 2 1 276.424 2.157 20 0 CEADMP C[C@H](C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1)C[NH+](C)C ZINC000293716400 377720441 /nfs/dbraw/zinc/72/04/41/377720441.db2.gz PFOSLHNJQINIBK-VLXJIEOASA-N 2 1 282.453 2.272 20 0 CEADMP CC(C)[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC000432352189 377751129 /nfs/dbraw/zinc/75/11/29/377751129.db2.gz WHEFFNHXOJSHFZ-BRWVUGGUSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC000432352189 377751134 /nfs/dbraw/zinc/75/11/34/377751134.db2.gz WHEFFNHXOJSHFZ-BRWVUGGUSA-N 2 1 298.471 2.281 20 0 CEADMP COC1(C[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CCC1 ZINC000432411629 377757266 /nfs/dbraw/zinc/75/72/66/377757266.db2.gz ZTICMBACKCHRQZ-JKSUJKDBSA-N 2 1 298.471 2.425 20 0 CEADMP COC1(C[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCC1 ZINC000432411629 377757270 /nfs/dbraw/zinc/75/72/70/377757270.db2.gz ZTICMBACKCHRQZ-JKSUJKDBSA-N 2 1 298.471 2.425 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1(C)C ZINC000432410939 377757470 /nfs/dbraw/zinc/75/74/70/377757470.db2.gz TUWPNFFAEDRZEZ-ARFHVFGLSA-N 2 1 298.471 2.281 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1(C)C ZINC000432410939 377757475 /nfs/dbraw/zinc/75/74/75/377757475.db2.gz TUWPNFFAEDRZEZ-ARFHVFGLSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@H](O)C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000566850928 377775113 /nfs/dbraw/zinc/77/51/13/377775113.db2.gz DZQVMFAEZSAJBO-YQQAZPJKSA-N 2 1 276.424 2.258 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000435874309 377811355 /nfs/dbraw/zinc/81/13/55/377811355.db2.gz JAWUSCKGLFCHRA-MSOLQXFVSA-N 3 1 289.467 2.268 20 0 CEADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000435874309 377811361 /nfs/dbraw/zinc/81/13/61/377811361.db2.gz JAWUSCKGLFCHRA-MSOLQXFVSA-N 3 1 289.467 2.268 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCCC[C@H]2O)C1 ZINC000566976348 377788462 /nfs/dbraw/zinc/78/84/62/377788462.db2.gz PUNPHMOHEWNXPM-GVDBMIGSSA-N 2 1 280.456 2.201 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000566976348 377788470 /nfs/dbraw/zinc/78/84/70/377788470.db2.gz PUNPHMOHEWNXPM-GVDBMIGSSA-N 2 1 280.456 2.201 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000566976348 377788475 /nfs/dbraw/zinc/78/84/75/377788475.db2.gz PUNPHMOHEWNXPM-GVDBMIGSSA-N 2 1 280.456 2.201 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CC[C@H](C)O)CC1 ZINC000438975865 377914777 /nfs/dbraw/zinc/91/47/77/377914777.db2.gz PQMCNNNRLYZBFU-AWEZNQCLSA-N 2 1 256.434 2.201 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)[C@H](C)C1 ZINC000442891301 378014684 /nfs/dbraw/zinc/01/46/84/378014684.db2.gz QWAUYHKVOIJMKN-BZUAXINKSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060183 378031161 /nfs/dbraw/zinc/03/11/61/378031161.db2.gz OLQZLRGVTPGWFU-GJZGRUSLSA-N 2 1 289.423 2.099 20 0 CEADMP CC(C)c1nc([C@H](C)[NH2+]CCOCC[NH+](C)C)cs1 ZINC000447594974 378123128 /nfs/dbraw/zinc/12/31/28/378123128.db2.gz JYQYTWYPEUVINX-LBPRGKRZSA-N 2 1 285.457 2.495 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295554495 378209132 /nfs/dbraw/zinc/20/91/32/378209132.db2.gz XIIQMAVJFSNCBL-UHFFFAOYSA-N 2 1 273.380 2.209 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2CCC(=O)CC2)C1 ZINC000450451004 378423600 /nfs/dbraw/zinc/42/36/00/378423600.db2.gz IEAMHAFXJHSJQI-INIZCTEOSA-N 2 1 278.440 2.409 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2CCC(=O)CC2)C1 ZINC000450451004 378423608 /nfs/dbraw/zinc/42/36/08/378423608.db2.gz IEAMHAFXJHSJQI-INIZCTEOSA-N 2 1 278.440 2.409 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2CCC(=O)CC2)C1 ZINC000450451004 378423616 /nfs/dbraw/zinc/42/36/16/378423616.db2.gz IEAMHAFXJHSJQI-INIZCTEOSA-N 2 1 278.440 2.409 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2CCC(=O)CC2)C1 ZINC000450452296 378424380 /nfs/dbraw/zinc/42/43/80/378424380.db2.gz JPFZBDWEKBHJEQ-KRWDZBQOSA-N 2 1 296.455 2.178 20 0 CEADMP CS[C@@H]1CN(C[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1[NH+](C)C ZINC000450637755 378512003 /nfs/dbraw/zinc/51/20/03/378512003.db2.gz RFSUHAXWPGGBLW-BZUAXINKSA-N 2 1 299.528 2.227 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC000296640986 378601669 /nfs/dbraw/zinc/60/16/69/378601669.db2.gz YBRFXILQCFHEOT-XIRDDKMYSA-N 2 1 276.424 2.316 20 0 CEADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1(C)C ZINC000450970864 378666507 /nfs/dbraw/zinc/66/65/07/378666507.db2.gz NZKKOJCZSNNHGW-BZUAXINKSA-N 2 1 298.471 2.015 20 0 CEADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1(C)C ZINC000450970864 378666513 /nfs/dbraw/zinc/66/65/13/378666513.db2.gz NZKKOJCZSNNHGW-BZUAXINKSA-N 2 1 298.471 2.015 20 0 CEADMP CC[N@H+]1CCN(C[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC000450979504 378669070 /nfs/dbraw/zinc/66/90/70/378669070.db2.gz JDAKHEPWEHUFTB-CVEARBPZSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC000450979504 378669078 /nfs/dbraw/zinc/66/90/78/378669078.db2.gz JDAKHEPWEHUFTB-CVEARBPZSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC000450979504 378669081 /nfs/dbraw/zinc/66/90/81/378669081.db2.gz JDAKHEPWEHUFTB-CVEARBPZSA-N 2 1 267.461 2.275 20 0 CEADMP Cn1cnc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)ccc21 ZINC000346847386 218033798 /nfs/dbraw/zinc/03/37/98/218033798.db2.gz MGNJMEHRTRMGHL-RRFJBIMHSA-N 2 1 284.407 2.133 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cnn(Cc4ccccc4)c3)C[C@@H]12 ZINC000346844735 218034205 /nfs/dbraw/zinc/03/42/05/218034205.db2.gz JVIZCVMTYDGRJR-RCCFBDPRSA-N 2 1 296.418 2.101 20 0 CEADMP C[C@@H](CC(C)(C)C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000453102161 378803654 /nfs/dbraw/zinc/80/36/54/378803654.db2.gz OWIQWOSFUXVYTD-HNNXBMFYSA-N 2 1 269.477 2.428 20 0 CEADMP COc1ccsc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346823057 218025532 /nfs/dbraw/zinc/02/55/32/218025532.db2.gz KCWMDUAOVQYRKY-SDDRHHMPSA-N 2 1 266.410 2.316 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453161566 378820710 /nfs/dbraw/zinc/82/07/10/378820710.db2.gz IUPHUCXNNWWLHK-SPUZQDLCSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000346836169 218029971 /nfs/dbraw/zinc/02/99/71/218029971.db2.gz OUACMWSSDNBXAY-NWDGAFQWSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000346836169 218029974 /nfs/dbraw/zinc/02/99/74/218029974.db2.gz OUACMWSSDNBXAY-NWDGAFQWSA-N 2 1 288.420 2.374 20 0 CEADMP CC(C)c1nc([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)no1 ZINC000346835530 218031292 /nfs/dbraw/zinc/03/12/92/218031292.db2.gz TUXJKOLZBLNYFL-KBPBESRZSA-N 2 1 292.427 2.372 20 0 CEADMP CC(C)c1nc([C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)no1 ZINC000346835530 218031295 /nfs/dbraw/zinc/03/12/95/218031295.db2.gz TUXJKOLZBLNYFL-KBPBESRZSA-N 2 1 292.427 2.372 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccn1 ZINC000453291876 378855484 /nfs/dbraw/zinc/85/54/84/378855484.db2.gz OFSGRKCZNVQRDK-ARFHVFGLSA-N 2 1 259.397 2.352 20 0 CEADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000453307364 378858882 /nfs/dbraw/zinc/85/88/82/378858882.db2.gz KLQKXGYBJIIXNH-USXIJHARSA-N 2 1 273.424 2.395 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@]1(C)CCCO1 ZINC000453331853 378863880 /nfs/dbraw/zinc/86/38/80/378863880.db2.gz ANRXFVYOMQAAJN-OIYCOIKZSA-N 2 1 252.402 2.159 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cn1 ZINC000453394815 378885205 /nfs/dbraw/zinc/88/52/05/378885205.db2.gz HFPCUCJXACKDRC-CYBMUJFWSA-N 2 1 264.417 2.428 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@H]1C ZINC000453397759 378886768 /nfs/dbraw/zinc/88/67/68/378886768.db2.gz JWPNRCXEJPDREI-OFQRWUPVSA-N 2 1 296.455 2.428 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CN1C1CC1 ZINC000453405317 378890417 /nfs/dbraw/zinc/89/04/17/378890417.db2.gz QIDIZJALARLKHA-ZIAGYGMSSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)O1 ZINC000453406613 378890502 /nfs/dbraw/zinc/89/05/02/378890502.db2.gz LGBOQKSQBBKLPD-QMIVOQANSA-N 2 1 252.402 2.016 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOC2CCC2)[C@H](C)C1 ZINC000346917324 218058602 /nfs/dbraw/zinc/05/86/02/218058602.db2.gz ZGIQLLQSTDZBBW-NVXWUHKLSA-N 2 1 298.471 2.282 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453416496 378896662 /nfs/dbraw/zinc/89/66/62/378896662.db2.gz XOJDDVNLTBEBFO-GFCCVEGCSA-N 2 1 264.417 2.254 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453428783 378902850 /nfs/dbraw/zinc/90/28/50/378902850.db2.gz QBRFHHQXZWZSJM-HZSPNIEDSA-N 2 1 254.418 2.121 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000347009064 218091919 /nfs/dbraw/zinc/09/19/19/218091919.db2.gz FMXHFSRWLWPNHJ-OAHLLOKOSA-N 2 1 288.439 2.113 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000347009064 218091920 /nfs/dbraw/zinc/09/19/20/218091920.db2.gz FMXHFSRWLWPNHJ-OAHLLOKOSA-N 2 1 288.439 2.113 20 0 CEADMP CC(C)([NH3+])C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000346989512 218081762 /nfs/dbraw/zinc/08/17/62/218081762.db2.gz ROWSIBOLPUZCSD-OAHLLOKOSA-N 2 1 262.397 2.057 20 0 CEADMP CC(C)([NH3+])C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000346989512 218081764 /nfs/dbraw/zinc/08/17/64/218081764.db2.gz ROWSIBOLPUZCSD-OAHLLOKOSA-N 2 1 262.397 2.057 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000346995447 218085831 /nfs/dbraw/zinc/08/58/31/218085831.db2.gz BZGYIBNDHBSLNN-DVOMOZLQSA-N 2 1 262.397 2.468 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000347038781 218100065 /nfs/dbraw/zinc/10/00/65/218100065.db2.gz ITPXNUAHMYSIOD-QAPCUYQASA-N 2 1 298.434 2.491 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000347038781 218100067 /nfs/dbraw/zinc/10/00/67/218100067.db2.gz ITPXNUAHMYSIOD-QAPCUYQASA-N 2 1 298.434 2.491 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000347038777 218100081 /nfs/dbraw/zinc/10/00/81/218100081.db2.gz ITPXNUAHMYSIOD-CRAIPNDOSA-N 2 1 298.434 2.491 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000347038777 218100082 /nfs/dbraw/zinc/10/00/82/218100082.db2.gz ITPXNUAHMYSIOD-CRAIPNDOSA-N 2 1 298.434 2.491 20 0 CEADMP CCOCc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1OC ZINC000347231959 218162393 /nfs/dbraw/zinc/16/23/93/218162393.db2.gz YEDJOZMQKZQBCZ-OAHLLOKOSA-N 2 1 292.423 2.402 20 0 CEADMP Cc1ccc([C@H](CNC(=O)C[N@H+](C)C(C)C)[NH+](C)C)cc1 ZINC000299508569 379024717 /nfs/dbraw/zinc/02/47/17/379024717.db2.gz RELLRFYJCLALST-INIZCTEOSA-N 2 1 291.439 2.054 20 0 CEADMP COC1CC([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000347200814 218152738 /nfs/dbraw/zinc/15/27/38/218152738.db2.gz YTDJQRYKIXSGNI-NFOMZHRRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000347307204 218184735 /nfs/dbraw/zinc/18/47/35/218184735.db2.gz AYPULUWHKIORQV-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP COc1cc(C)ccc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000347391952 218216860 /nfs/dbraw/zinc/21/68/60/218216860.db2.gz QBSSEBGBCLYEGV-CYBMUJFWSA-N 2 1 250.386 2.433 20 0 CEADMP COc1cc(C)ccc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000347391956 218218139 /nfs/dbraw/zinc/21/81/39/218218139.db2.gz QBSSEBGBCLYEGV-ZDUSSCGKSA-N 2 1 250.386 2.433 20 0 CEADMP CN(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccc(Cl)cc1 ZINC000514930799 379164641 /nfs/dbraw/zinc/16/46/41/379164641.db2.gz SELHVZGQUFHNAN-SOUVJXGZSA-N 2 1 281.831 2.412 20 0 CEADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000515347760 379206916 /nfs/dbraw/zinc/20/69/16/379206916.db2.gz NBWFFUGPWKYYRI-RPVQJOFSSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000515347760 379206921 /nfs/dbraw/zinc/20/69/21/379206921.db2.gz NBWFFUGPWKYYRI-RPVQJOFSSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCO)C1 ZINC000304010509 379510779 /nfs/dbraw/zinc/51/07/79/379510779.db2.gz MWEQIICVNLDWFU-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCO)C1 ZINC000304010509 379510790 /nfs/dbraw/zinc/51/07/90/379510790.db2.gz MWEQIICVNLDWFU-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCO)C1 ZINC000304010509 379510797 /nfs/dbraw/zinc/51/07/97/379510797.db2.gz MWEQIICVNLDWFU-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP CC[C@H](C(=O)NCC[N@H+]1CCCC1(C)C)[NH+](CC)CC ZINC000457053016 379643194 /nfs/dbraw/zinc/64/31/94/379643194.db2.gz JJJLNZAOPUBYGN-CQSZACIVSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC3(F)CC3)CC2)C[C@H](C)O1 ZINC000525977321 379689346 /nfs/dbraw/zinc/68/93/46/379689346.db2.gz GBJFKMXMFWIMEH-OKILXGFUSA-N 2 1 284.419 2.310 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000305649547 379724664 /nfs/dbraw/zinc/72/46/64/379724664.db2.gz TXFWNRQJTKXGMA-HIFRSBDPSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000305649547 379724671 /nfs/dbraw/zinc/72/46/71/379724671.db2.gz TXFWNRQJTKXGMA-HIFRSBDPSA-N 2 1 265.401 2.207 20 0 CEADMP C[C@@H]1CCC[N@H+]1C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000305700467 379734528 /nfs/dbraw/zinc/73/45/28/379734528.db2.gz WBSDMKGXWCMIIZ-KBMXLJTQSA-N 2 1 266.429 2.239 20 0 CEADMP C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000527808819 379821841 /nfs/dbraw/zinc/82/18/41/379821841.db2.gz LPRRRWHYTKZTAD-USXIJHARSA-N 2 1 277.456 2.220 20 0 CEADMP C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527808819 379821847 /nfs/dbraw/zinc/82/18/47/379821847.db2.gz LPRRRWHYTKZTAD-USXIJHARSA-N 2 1 277.456 2.220 20 0 CEADMP C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000527808819 379821853 /nfs/dbraw/zinc/82/18/53/379821853.db2.gz LPRRRWHYTKZTAD-USXIJHARSA-N 2 1 277.456 2.220 20 0 CEADMP CCC[NH+]1CCC(NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000528014255 379875945 /nfs/dbraw/zinc/87/59/45/379875945.db2.gz UHETXSVXVVJQQZ-QGZVFWFLSA-N 2 1 279.472 2.467 20 0 CEADMP CN(Cc1cc(CO)ccc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000528501874 379990601 /nfs/dbraw/zinc/99/06/01/379990601.db2.gz FJJNWKVVBQXRTC-XYPWUTKMSA-N 2 1 292.398 2.375 20 0 CEADMP CCc1noc([C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000333866485 380166446 /nfs/dbraw/zinc/16/64/46/380166446.db2.gz RAIQTOZEBRIVGD-DGCLKSJQSA-N 2 1 278.400 2.157 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CCO1 ZINC000488977222 380150206 /nfs/dbraw/zinc/15/02/06/380150206.db2.gz INZDKFFOVMZOJQ-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP c1cn2c([nH+]1)C[C@@H](Nc1cc[nH+]c3ccccc13)CC2 ZINC000489940866 380223711 /nfs/dbraw/zinc/22/37/11/380223711.db2.gz WDVJDBJOLBJYAI-LBPRGKRZSA-N 2 1 264.332 2.280 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CO)C1CCCCC1 ZINC000543840581 380348912 /nfs/dbraw/zinc/34/89/12/380348912.db2.gz UVFAROVRHFSKTP-GJZGRUSLSA-N 2 1 254.418 2.002 20 0 CEADMP Cc1c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cnn1C ZINC000334452576 380432468 /nfs/dbraw/zinc/43/24/68/380432468.db2.gz YSUAJQYJLZAZMM-YOEHRIQHSA-N 2 1 288.439 2.177 20 0 CEADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C1CCCCC1)C1CC1 ZINC000547430774 380443141 /nfs/dbraw/zinc/44/31/41/380443141.db2.gz KOEVYDUBGMFBEA-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CCNC(=O)CC[N@H+](C)C1CCCCC1)C1CC1 ZINC000547430774 380443146 /nfs/dbraw/zinc/44/31/46/380443146.db2.gz KOEVYDUBGMFBEA-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CCNC(=O)CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000547430774 380443150 /nfs/dbraw/zinc/44/31/50/380443150.db2.gz KOEVYDUBGMFBEA-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP CC1=CC[N@@H+](CCNC2CC[NH+](CC3CC3)CC2)CC1 ZINC000546575944 380412326 /nfs/dbraw/zinc/41/23/26/380412326.db2.gz WRYKEDMAYAHGIO-UHFFFAOYSA-N 2 1 277.456 2.102 20 0 CEADMP CC1=CCN(CC[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000546575944 380412331 /nfs/dbraw/zinc/41/23/31/380412331.db2.gz WRYKEDMAYAHGIO-UHFFFAOYSA-N 2 1 277.456 2.102 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000549039679 380585776 /nfs/dbraw/zinc/58/57/76/380585776.db2.gz WISMJEKUQDMAMR-UHFFFAOYSA-N 3 1 276.428 2.046 20 0 CEADMP CCc1oc(CNC[C@H]2CCC[N@@H+](C)C2)cc1C(=O)OC ZINC000549801923 380610686 /nfs/dbraw/zinc/61/06/86/380610686.db2.gz NFPLXSIWZSLOOJ-GFCCVEGCSA-N 2 1 294.395 2.060 20 0 CEADMP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)c1 ZINC000279163129 194312353 /nfs/dbraw/zinc/31/23/53/194312353.db2.gz BQWBIKBUCYLLHY-MRXNPFEDSA-N 2 1 287.407 2.314 20 0 CEADMP C1CC2(CCOCC2)[C@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000554560779 380782945 /nfs/dbraw/zinc/78/29/45/380782945.db2.gz GLPGRRBAYPUHCM-ZNMIVQPWSA-N 2 1 264.413 2.162 20 0 CEADMP C1CC2(CCOCC2)[C@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000554560779 380782952 /nfs/dbraw/zinc/78/29/52/380782952.db2.gz GLPGRRBAYPUHCM-ZNMIVQPWSA-N 2 1 264.413 2.162 20 0 CEADMP COCCC(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336791649 284850351 /nfs/dbraw/zinc/85/03/51/284850351.db2.gz OIRDEDJYZCVGPG-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)CC(C)C ZINC000493339977 380934107 /nfs/dbraw/zinc/93/41/07/380934107.db2.gz YMLIZMALANLIHX-ILXRZTDVSA-N 2 1 299.459 2.077 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000334871659 207220655 /nfs/dbraw/zinc/22/06/55/207220655.db2.gz ZAIBNTNBEYYPAY-CVEARBPZSA-N 2 1 259.397 2.354 20 0 CEADMP C[C@H](CO)[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000289481696 197368677 /nfs/dbraw/zinc/36/86/77/197368677.db2.gz QQBYJCGQIRPWFL-OAHLLOKOSA-N 2 1 278.440 2.457 20 0 CEADMP C[C@H](CO)[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000289481696 197368678 /nfs/dbraw/zinc/36/86/78/197368678.db2.gz QQBYJCGQIRPWFL-OAHLLOKOSA-N 2 1 278.440 2.457 20 0 CEADMP C[C@H](CO)[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000289481696 197368679 /nfs/dbraw/zinc/36/86/79/197368679.db2.gz QQBYJCGQIRPWFL-OAHLLOKOSA-N 2 1 278.440 2.457 20 0 CEADMP C[C@H](CO)[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000289481696 197368680 /nfs/dbraw/zinc/36/86/80/197368680.db2.gz QQBYJCGQIRPWFL-OAHLLOKOSA-N 2 1 278.440 2.457 20 0 CEADMP C[N@H+](Cc1ccc(-n2cncn2)cc1)CC1CC[NH+](C)CC1 ZINC000093089230 184648042 /nfs/dbraw/zinc/64/80/42/184648042.db2.gz XMABHKRAOFZQBQ-UHFFFAOYSA-N 2 1 299.422 2.041 20 0 CEADMP Cc1ccsc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000335252102 208032141 /nfs/dbraw/zinc/03/21/41/208032141.db2.gz JADIAPFBJMZZFH-CYBMUJFWSA-N 2 1 280.437 2.244 20 0 CEADMP c1cn(-c2ccccc2)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000335258127 208045047 /nfs/dbraw/zinc/04/50/47/208045047.db2.gz SDCVFOPXKCJWKH-IYBDPMFKSA-N 2 1 296.418 2.304 20 0 CEADMP c1sc(C2CC2)nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335269703 208069535 /nfs/dbraw/zinc/06/95/35/208069535.db2.gz OJKYVHYJCYYXBA-BETUJISGSA-N 2 1 277.437 2.452 20 0 CEADMP OC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000386154813 542369199 /nfs/dbraw/zinc/36/91/99/542369199.db2.gz JMGJLCCZVRRRJM-JYJNAYRXSA-N 2 1 266.429 2.144 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000350251991 219004103 /nfs/dbraw/zinc/00/41/03/219004103.db2.gz MMVJYAJYOUGIDX-QGZVFWFLSA-N 2 1 291.439 2.323 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2c(c1)CCO2 ZINC000289183242 197255759 /nfs/dbraw/zinc/25/57/59/197255759.db2.gz ASIUHUFRLHOYIV-UHFFFAOYSA-N 2 1 262.397 2.395 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)CCO2 ZINC000289183242 197255760 /nfs/dbraw/zinc/25/57/60/197255760.db2.gz ASIUHUFRLHOYIV-UHFFFAOYSA-N 2 1 262.397 2.395 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121025612 285191918 /nfs/dbraw/zinc/19/19/18/285191918.db2.gz VYWNBOXYKMVGOT-ZNMIVQPWSA-N 2 1 264.413 2.018 20 0 CEADMP COC[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000247251715 285205808 /nfs/dbraw/zinc/20/58/08/285205808.db2.gz DXABLXKDXJEUMH-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCC1 ZINC000354347081 220691008 /nfs/dbraw/zinc/69/10/08/220691008.db2.gz JMUNNAQSDKUVLI-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP OC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000336605169 285237993 /nfs/dbraw/zinc/23/79/93/285237993.db2.gz ZDLCNYGLYGFNGG-ZBFHGGJFSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCC1 ZINC000336605169 285237994 /nfs/dbraw/zinc/23/79/94/285237994.db2.gz ZDLCNYGLYGFNGG-ZBFHGGJFSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCC1 ZINC000336605169 285237996 /nfs/dbraw/zinc/23/79/96/285237996.db2.gz ZDLCNYGLYGFNGG-ZBFHGGJFSA-N 2 1 278.440 2.240 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000268843279 285245183 /nfs/dbraw/zinc/24/51/83/285245183.db2.gz NYJSZBOKQNFEPR-KRWDZBQOSA-N 2 1 274.408 2.110 20 0 CEADMP OC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000118955994 285270300 /nfs/dbraw/zinc/27/03/00/285270300.db2.gz JSRWYVGCADVLIT-MRXNPFEDSA-N 2 1 262.397 2.186 20 0 CEADMP CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000281569041 195291321 /nfs/dbraw/zinc/29/13/21/195291321.db2.gz DUSGSZRANKLSFG-XIRDDKMYSA-N 2 1 276.424 2.258 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(COC)CCC2)[C@H](C)C1 ZINC000361316869 285369779 /nfs/dbraw/zinc/36/97/79/285369779.db2.gz WLDYFQWXEDFIRB-HUUCEWRRSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(COC)CCC2)[C@H](C)C1 ZINC000361316869 285369780 /nfs/dbraw/zinc/36/97/80/285369780.db2.gz WLDYFQWXEDFIRB-HUUCEWRRSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(COC)CCC2)[C@H](C)C1 ZINC000361316869 285369781 /nfs/dbraw/zinc/36/97/81/285369781.db2.gz WLDYFQWXEDFIRB-HUUCEWRRSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400337989 533379254 /nfs/dbraw/zinc/37/92/54/533379254.db2.gz FVNCZKZKRONPJN-WBVHZDCISA-N 2 1 275.440 2.239 20 0 CEADMP COc1cccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1OC ZINC000414909390 533511722 /nfs/dbraw/zinc/51/17/22/533511722.db2.gz RRFTZVQJNZCARS-INIZCTEOSA-N 2 1 278.396 2.183 20 0 CEADMP Cn1c2ccccc2nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342082340 130243461 /nfs/dbraw/zinc/24/34/61/130243461.db2.gz IEFSFYWZALNPKT-BFHYXJOUSA-N 2 1 284.407 2.133 20 0 CEADMP Cn1c2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342082340 130243462 /nfs/dbraw/zinc/24/34/62/130243462.db2.gz IEFSFYWZALNPKT-BFHYXJOUSA-N 2 1 284.407 2.133 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342091725 130306318 /nfs/dbraw/zinc/30/63/18/130306318.db2.gz CMGVMYKBHGRMGD-BHYGNILZSA-N 2 1 287.407 2.204 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H](CC)O1 ZINC000420962099 394456170 /nfs/dbraw/zinc/45/61/70/394456170.db2.gz TXLKQPXQGMCKDL-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H](CC)O1 ZINC000420962099 394456172 /nfs/dbraw/zinc/45/61/72/394456172.db2.gz TXLKQPXQGMCKDL-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303987678 394480410 /nfs/dbraw/zinc/48/04/10/394480410.db2.gz JJRUKWWYQRBJST-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCC(C)CC1 ZINC000304075422 394480706 /nfs/dbraw/zinc/48/07/06/394480706.db2.gz WXCKHWPLTHGLHK-CQSZACIVSA-N 2 1 266.433 2.117 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000356196057 394559292 /nfs/dbraw/zinc/55/92/92/394559292.db2.gz ABKVUHVEPHQOED-ZDUSSCGKSA-N 2 1 271.449 2.001 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)CCO2 ZINC000252709804 394573503 /nfs/dbraw/zinc/57/35/03/394573503.db2.gz DWJXLUDAXAJKJT-DAXOMENPSA-N 2 1 290.407 2.449 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)CCO2 ZINC000252709804 394573506 /nfs/dbraw/zinc/57/35/06/394573506.db2.gz DWJXLUDAXAJKJT-DAXOMENPSA-N 2 1 290.407 2.449 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000356596858 394580608 /nfs/dbraw/zinc/58/06/08/394580608.db2.gz MGRNJRAANSXTSO-UONOGXRCSA-N 2 1 285.476 2.390 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000356672829 394583989 /nfs/dbraw/zinc/58/39/89/394583989.db2.gz IODKCTFFIQXMAL-XQLPTFJDSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](CC(C)(C)C)C1)C1CC1 ZINC000307842221 394523775 /nfs/dbraw/zinc/52/37/75/394523775.db2.gz DXJDFOMEBLFAQH-HIFRSBDPSA-N 2 1 268.445 2.200 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](CC(C)(C)C)C1)C1CC1 ZINC000307842221 394523777 /nfs/dbraw/zinc/52/37/77/394523777.db2.gz DXJDFOMEBLFAQH-HIFRSBDPSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](CC(C)(C)C)C1)C1CC1 ZINC000307842221 394523779 /nfs/dbraw/zinc/52/37/79/394523779.db2.gz DXJDFOMEBLFAQH-HIFRSBDPSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](CC(C)(C)C)C1)C1CC1 ZINC000307842221 394523784 /nfs/dbraw/zinc/52/37/84/394523784.db2.gz DXJDFOMEBLFAQH-HIFRSBDPSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)(O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309997750 394533958 /nfs/dbraw/zinc/53/39/58/394533958.db2.gz CHEJTMUTXNKWJW-DLBZAZTESA-N 2 1 288.435 2.211 20 0 CEADMP CC(C)(O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309997750 394533963 /nfs/dbraw/zinc/53/39/63/394533963.db2.gz CHEJTMUTXNKWJW-DLBZAZTESA-N 2 1 288.435 2.211 20 0 CEADMP CC(C)(O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309997750 394533967 /nfs/dbraw/zinc/53/39/67/394533967.db2.gz CHEJTMUTXNKWJW-DLBZAZTESA-N 2 1 288.435 2.211 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000249316523 394553446 /nfs/dbraw/zinc/55/34/46/394553446.db2.gz FMEADHCARQZDJP-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000249316523 394553448 /nfs/dbraw/zinc/55/34/48/394553448.db2.gz FMEADHCARQZDJP-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000356931521 394655301 /nfs/dbraw/zinc/65/53/01/394655301.db2.gz YCFQUJCKMFKDLS-RHSMWYFYSA-N 3 1 275.440 2.178 20 0 CEADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000356931521 394655303 /nfs/dbraw/zinc/65/53/03/394655303.db2.gz YCFQUJCKMFKDLS-RHSMWYFYSA-N 2 1 275.440 2.178 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)N(C)C ZINC000356737383 394597927 /nfs/dbraw/zinc/59/79/27/394597927.db2.gz GOGNSZVVJYHGHL-ZBFHGGJFSA-N 2 1 291.439 2.134 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000356737383 394597930 /nfs/dbraw/zinc/59/79/30/394597930.db2.gz GOGNSZVVJYHGHL-ZBFHGGJFSA-N 2 1 291.439 2.134 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000356737383 394597932 /nfs/dbraw/zinc/59/79/32/394597932.db2.gz GOGNSZVVJYHGHL-ZBFHGGJFSA-N 2 1 291.439 2.134 20 0 CEADMP C[N@H+](CCOCC1CC1)CC[C@H]1CCCC[NH+]1C ZINC000075860922 394614602 /nfs/dbraw/zinc/61/46/02/394614602.db2.gz ANWFNSLFVAFLNX-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP C[N@@H+](CCOCC1CC1)CC[C@H]1CCCC[NH+]1C ZINC000075860922 394614605 /nfs/dbraw/zinc/61/46/05/394614605.db2.gz ANWFNSLFVAFLNX-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CCOCC1CC1)CC[C@H]1CCCC[N@@H+]1C ZINC000075860922 394614610 /nfs/dbraw/zinc/61/46/10/394614610.db2.gz ANWFNSLFVAFLNX-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CCOCC1CC1)CC[C@H]1CCCC[N@H+]1C ZINC000075860922 394614613 /nfs/dbraw/zinc/61/46/13/394614613.db2.gz ANWFNSLFVAFLNX-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422712262 394733852 /nfs/dbraw/zinc/73/38/52/394733852.db2.gz IDBLTACLKZLDRZ-GFCCVEGCSA-N 2 1 298.390 2.346 20 0 CEADMP C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422713901 394735329 /nfs/dbraw/zinc/73/53/29/394735329.db2.gz KMZBCDPEUMIZQE-IIDMSEBBSA-N 2 1 287.451 2.163 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000422715485 394736001 /nfs/dbraw/zinc/73/60/01/394736001.db2.gz MINBFQNMILDKFL-DZGCQCFKSA-N 2 1 279.403 2.240 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422715500 394736500 /nfs/dbraw/zinc/73/65/00/394736500.db2.gz MJMDQSNJGYKQSS-WMZOPIPTSA-N 3 1 289.467 2.268 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000422715500 394736501 /nfs/dbraw/zinc/73/65/01/394736501.db2.gz MJMDQSNJGYKQSS-WMZOPIPTSA-N 2 1 289.467 2.268 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000422717107 394737130 /nfs/dbraw/zinc/73/71/30/394737130.db2.gz VKUQJJQQJYKEPB-COXVUDFISA-N 2 1 293.430 2.406 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000422719246 394739492 /nfs/dbraw/zinc/73/94/92/394739492.db2.gz XZLHINAKFNOQTB-SQPSOYEMSA-N 2 1 262.401 2.398 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000422727485 394743219 /nfs/dbraw/zinc/74/32/19/394743219.db2.gz CPTMQGNHJOORCF-KGLIPLIRSA-N 2 1 278.396 2.453 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000335147972 394743284 /nfs/dbraw/zinc/74/32/84/394743284.db2.gz QVAISTOFNDXVNO-HUUCEWRRSA-N 2 1 288.435 2.484 20 0 CEADMP COc1cccc([C@H](CN[C@H](C)C[C@@H](C)[NH3+])[NH+](C)C)c1 ZINC000422733329 394746577 /nfs/dbraw/zinc/74/65/77/394746577.db2.gz QTSBBFCZBHGEGX-IOASZLSFSA-N 2 1 279.428 2.013 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000335172578 394746757 /nfs/dbraw/zinc/74/67/57/394746757.db2.gz ZJBQGSLDWDBFNZ-ZBFHGGJFSA-N 2 1 266.429 2.146 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000335172578 394746759 /nfs/dbraw/zinc/74/67/59/394746759.db2.gz ZJBQGSLDWDBFNZ-ZBFHGGJFSA-N 2 1 266.429 2.146 20 0 CEADMP Cc1ccn2c(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cnc2c1 ZINC000422562057 394711635 /nfs/dbraw/zinc/71/16/35/394711635.db2.gz PDCHLFMQUYFOMG-ZNMIVQPWSA-N 2 1 286.423 2.448 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCOc3ccc(F)cc3C2)CC[NH2+]1 ZINC000334880900 394716890 /nfs/dbraw/zinc/71/68/90/394716890.db2.gz HURDBWYEPIHCIT-QWHCGFSZSA-N 2 1 278.371 2.408 20 0 CEADMP C[C@H](NCC[N@@H+](C)C1CCCCC1)c1c[nH+]ccc1N ZINC000422702979 394727721 /nfs/dbraw/zinc/72/77/21/394727721.db2.gz LZONHKABVXVTGO-ZDUSSCGKSA-N 2 1 276.428 2.409 20 0 CEADMP c1cn2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)nc2s1 ZINC000422702596 394728104 /nfs/dbraw/zinc/72/81/04/394728104.db2.gz LEJLMCXIQZBTBN-MELADBBJSA-N 2 1 290.436 2.406 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000422704010 394729131 /nfs/dbraw/zinc/72/91/31/394729131.db2.gz OLFOOKWYRCJDBF-NWANDNLSSA-N 2 1 254.418 2.048 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(CO)c1 ZINC000422739281 394750857 /nfs/dbraw/zinc/75/08/57/394750857.db2.gz KYOOBAOQDITLTD-KDOFPFPSSA-N 2 1 284.403 2.227 20 0 CEADMP Cc1ccn2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cnc2c1 ZINC000414822279 394751801 /nfs/dbraw/zinc/75/18/01/394751801.db2.gz CNYFUKMWOZOBQC-PBWFPOADSA-N 2 1 270.380 2.015 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H](C[NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000414798926 394752663 /nfs/dbraw/zinc/75/26/63/394752663.db2.gz CQFNOBSATDRGNR-FHLIZLRMSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422838830 394822118 /nfs/dbraw/zinc/82/21/18/394822118.db2.gz YGHIXRROMOVBCU-LSDHHAIUSA-N 2 1 286.423 2.341 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2cccnc2)CCCCC1 ZINC000414846448 394768352 /nfs/dbraw/zinc/76/83/52/394768352.db2.gz SJWXIOOYNUFTTI-UHFFFAOYSA-N 2 1 285.395 2.223 20 0 CEADMP CCOc1c(Cl)cccc1C[NH2+]CCC[NH2+]C ZINC000414856881 394773334 /nfs/dbraw/zinc/77/33/34/394773334.db2.gz BESOWYJNUBRKMS-UHFFFAOYSA-N 2 1 256.777 2.438 20 0 CEADMP C[NH2+]CCCN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414856426 394773840 /nfs/dbraw/zinc/77/38/40/394773840.db2.gz ABWTZQIIMBHGFN-GOEBONIOSA-N 2 1 261.413 2.021 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000414955725 394823767 /nfs/dbraw/zinc/82/37/67/394823767.db2.gz MSINSJYFHYMGMI-DOMZBBRYSA-N 2 1 262.397 2.140 20 0 CEADMP COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCC[NH2+]C2)cc1F ZINC000414870853 394780745 /nfs/dbraw/zinc/78/07/45/394780745.db2.gz SXPUAOFQJHXWOF-OCCSQVGLSA-N 2 1 280.387 2.355 20 0 CEADMP C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)C1C[NH2+]C1 ZINC000422784920 394782480 /nfs/dbraw/zinc/78/24/80/394782480.db2.gz JBZXGNIQSADJTM-HNNXBMFYSA-N 2 1 287.451 2.370 20 0 CEADMP CC[C@H]([NH2+]CCOc1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422784204 394782730 /nfs/dbraw/zinc/78/27/30/394782730.db2.gz ILKYBHVZQNAJDG-HOTGVXAUSA-N 2 1 278.396 2.194 20 0 CEADMP CCC[NH2+]CC[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000414875450 394782900 /nfs/dbraw/zinc/78/29/00/394782900.db2.gz UIOGPGSAXMCYNC-CYBMUJFWSA-N 2 1 274.412 2.473 20 0 CEADMP C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000335644342 394784433 /nfs/dbraw/zinc/78/44/33/394784433.db2.gz TYSOOKHFHNBQKN-OTBWCIGPSA-N 2 1 279.472 2.371 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1F ZINC000422787372 394786120 /nfs/dbraw/zinc/78/61/20/394786120.db2.gz QBJGFQJHDFMHHB-VHSXEESVSA-N 2 1 252.333 2.093 20 0 CEADMP Cc1cccc(O[C@@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422790611 394787841 /nfs/dbraw/zinc/78/78/41/394787841.db2.gz PLRDBVZPTRMQRL-OFQRWUPVSA-N 2 1 262.397 2.492 20 0 CEADMP CC[C@@H]1C[C@H](C[NH2+]CCC[NH2+]Cc2cccnc2)CCO1 ZINC000414890062 394790489 /nfs/dbraw/zinc/79/04/89/394790489.db2.gz ZATFNMDMCLNPSJ-NVXWUHKLSA-N 2 1 291.439 2.356 20 0 CEADMP COc1ccccc1C1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422844159 394824436 /nfs/dbraw/zinc/82/44/36/394824436.db2.gz KZJJYIOSGWSLLW-ZFWWWQNUSA-N 2 1 274.408 2.457 20 0 CEADMP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1SC ZINC000414893884 394792210 /nfs/dbraw/zinc/79/22/10/394792210.db2.gz KQBSCWDIPCQAAX-LBPRGKRZSA-N 2 1 266.410 2.244 20 0 CEADMP C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)C1C[NH2+]C1 ZINC000422796145 394792495 /nfs/dbraw/zinc/79/24/95/394792495.db2.gz IVIZKKZWUWARAF-VIFPVBQESA-N 2 1 274.286 2.283 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]([NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000414895589 394793711 /nfs/dbraw/zinc/79/37/11/394793711.db2.gz YAIZFUXDNHEHBA-FHLIZLRMSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000414899354 394794760 /nfs/dbraw/zinc/79/47/60/394794760.db2.gz FQKAHCHHHBBFOH-NVXWUHKLSA-N 3 1 275.440 2.368 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000414899354 394794763 /nfs/dbraw/zinc/79/47/63/394794763.db2.gz FQKAHCHHHBBFOH-NVXWUHKLSA-N 3 1 275.440 2.368 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422797978 394794860 /nfs/dbraw/zinc/79/48/60/394794860.db2.gz PHBQWZITGPMOJK-GOEBONIOSA-N 3 1 267.461 2.358 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422797978 394794861 /nfs/dbraw/zinc/79/48/61/394794861.db2.gz PHBQWZITGPMOJK-GOEBONIOSA-N 3 1 267.461 2.358 20 0 CEADMP CCOc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1OCC ZINC000414901874 394796925 /nfs/dbraw/zinc/79/69/25/394796925.db2.gz XREKWSAONKKFRI-CQSZACIVSA-N 2 1 278.396 2.311 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414908988 394799624 /nfs/dbraw/zinc/79/96/24/394799624.db2.gz SIAYRUIYYJHMFL-CQSZACIVSA-N 2 1 278.444 2.487 20 0 CEADMP c1nc([C@H]2CCCO2)sc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414911635 394801217 /nfs/dbraw/zinc/80/12/17/394801217.db2.gz XBOJNNWVVXTGBG-DGCLKSJQSA-N 2 1 281.425 2.226 20 0 CEADMP COc1ccc(C)cc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414913826 394801729 /nfs/dbraw/zinc/80/17/29/394801729.db2.gz WZFABHTXLGBCIM-INIZCTEOSA-N 2 1 262.397 2.483 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000414932472 394809255 /nfs/dbraw/zinc/80/92/55/394809255.db2.gz VTXNHYUFDOPAND-KGLIPLIRSA-N 2 1 270.380 2.232 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000414932467 394809866 /nfs/dbraw/zinc/80/98/66/394809866.db2.gz VTXNHYUFDOPAND-KBPBESRZSA-N 2 1 270.380 2.232 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000422821889 394811810 /nfs/dbraw/zinc/81/18/10/394811810.db2.gz ZCBPZXODVCGIFZ-JKSUJKDBSA-N 2 1 288.439 2.431 20 0 CEADMP CCCOc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1OC ZINC000422827000 394814998 /nfs/dbraw/zinc/81/49/98/394814998.db2.gz MIRZIMLFMIDIAK-LBPRGKRZSA-N 2 1 278.396 2.182 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414945211 394815386 /nfs/dbraw/zinc/81/53/86/394815386.db2.gz IBOMSTIHUWUQDY-GJZGRUSLSA-N 2 1 284.407 2.411 20 0 CEADMP CCN(CC)c1ncc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414945228 394816375 /nfs/dbraw/zinc/81/63/75/394816375.db2.gz ICASHNNHJGWQEC-VXGBXAGGSA-N 2 1 282.457 2.219 20 0 CEADMP COc1cccc(OCCC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422926340 394864404 /nfs/dbraw/zinc/86/44/04/394864404.db2.gz WMSVWGRSANLBMU-BBRMVZONSA-N 2 1 278.396 2.194 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415064551 394870603 /nfs/dbraw/zinc/87/06/03/394870603.db2.gz CVORHAKPOHULFF-UHFFFAOYSA-N 2 1 250.390 2.004 20 0 CEADMP CC(C)n1ccc(C[C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)n1 ZINC000415065400 394872400 /nfs/dbraw/zinc/87/24/00/394872400.db2.gz GCJYMDVVZTYOFY-ZFWWWQNUSA-N 2 1 264.417 2.127 20 0 CEADMP C[C@@H]1C[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000129758661 394873515 /nfs/dbraw/zinc/87/35/15/394873515.db2.gz QQUUCFGPNHCADR-OLZOCXBDSA-N 2 1 267.461 2.368 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCN1C ZINC000129758661 394873517 /nfs/dbraw/zinc/87/35/17/394873517.db2.gz QQUUCFGPNHCADR-OLZOCXBDSA-N 2 1 267.461 2.368 20 0 CEADMP Cc1cncc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423008583 394878683 /nfs/dbraw/zinc/87/86/83/394878683.db2.gz ALIQUMBFYJTHNA-PBHICJAKSA-N 2 1 269.392 2.438 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH]c2ncccc12)c1c[nH+]ccc1N ZINC000423008237 394878725 /nfs/dbraw/zinc/87/87/25/394878725.db2.gz ZLSMDWXLWVEQGU-LLVKDONJSA-N 2 1 281.363 2.264 20 0 CEADMP COCCOc1cc(C)ccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415083777 394881472 /nfs/dbraw/zinc/88/14/72/394881472.db2.gz NUNCFXPTMAREMX-HNNXBMFYSA-N 2 1 292.423 2.109 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC[NH2+]1 ZINC000414962775 394827491 /nfs/dbraw/zinc/82/74/91/394827491.db2.gz ZZMGZKBIIJFKFF-PBHICJAKSA-N 2 1 284.407 2.162 20 0 CEADMP CC1CCC(O)(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000336120918 394827601 /nfs/dbraw/zinc/82/76/01/394827601.db2.gz CFDLAHKNHCQWNK-HWOWSKLDSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H]([NH3+])CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414974074 394832229 /nfs/dbraw/zinc/83/22/29/394832229.db2.gz CXTGNCJECKVTMB-XLAORIBOSA-N 3 1 287.451 2.224 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000414973264 394832806 /nfs/dbraw/zinc/83/28/06/394832806.db2.gz CBFNALSZPKXXIE-JTQLQIEISA-N 2 1 287.201 2.285 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422856744 394832951 /nfs/dbraw/zinc/83/29/51/394832951.db2.gz GAURJJZUVIBXGF-RHSMWYFYSA-N 2 1 284.407 2.002 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422861368 394834591 /nfs/dbraw/zinc/83/45/91/394834591.db2.gz JGERQPUKZISMLI-XHDPSFHLSA-N 2 1 250.361 2.264 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(SC)c(OC)c1 ZINC000414981188 394835485 /nfs/dbraw/zinc/83/54/85/394835485.db2.gz QNSPRLHDECATIJ-NSHDSACASA-N 2 1 254.399 2.244 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000423025045 394883372 /nfs/dbraw/zinc/88/33/72/394883372.db2.gz NHHLILZZVVRWEA-AAEUAGOBSA-N 2 1 299.365 2.203 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422877329 394844660 /nfs/dbraw/zinc/84/46/60/394844660.db2.gz HRCIVRUWLQVOFK-HRCADAONSA-N 3 1 267.461 2.371 20 0 CEADMP C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422877329 394844665 /nfs/dbraw/zinc/84/46/65/394844665.db2.gz HRCIVRUWLQVOFK-HRCADAONSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422877329 394844668 /nfs/dbraw/zinc/84/46/68/394844668.db2.gz HRCIVRUWLQVOFK-HRCADAONSA-N 2 1 267.461 2.371 20 0 CEADMP CCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1OCC ZINC000415007605 394846318 /nfs/dbraw/zinc/84/63/18/394846318.db2.gz LRKXYUKXUNBUJR-NEPJUHHUSA-N 2 1 266.385 2.309 20 0 CEADMP C[C@H]([NH3+])c1ccc(NC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC000422880927 394847135 /nfs/dbraw/zinc/84/71/35/394847135.db2.gz XUXWBLFBKFQMRN-NSHDSACASA-N 2 1 284.363 2.420 20 0 CEADMP C[C@@H]1CCNC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422882602 394848256 /nfs/dbraw/zinc/84/82/56/394848256.db2.gz PFJGYOQVXDQJRV-OAGGEKHMSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000422882602 394848259 /nfs/dbraw/zinc/84/82/59/394848259.db2.gz PFJGYOQVXDQJRV-OAGGEKHMSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422882602 394848261 /nfs/dbraw/zinc/84/82/61/394848261.db2.gz PFJGYOQVXDQJRV-OAGGEKHMSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422885007 394848990 /nfs/dbraw/zinc/84/89/90/394848990.db2.gz SYRNGBYNBHZTBU-ILXRZTDVSA-N 3 1 255.450 2.214 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000280654196 394850334 /nfs/dbraw/zinc/85/03/34/394850334.db2.gz FWZAJMIQOHWAQF-ZDUSSCGKSA-N 2 1 291.395 2.036 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000280654196 394850341 /nfs/dbraw/zinc/85/03/41/394850341.db2.gz FWZAJMIQOHWAQF-ZDUSSCGKSA-N 2 1 291.395 2.036 20 0 CEADMP CC(C)c1csc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])n1 ZINC000422890746 394853164 /nfs/dbraw/zinc/85/31/64/394853164.db2.gz JDECWEZGAWPMAS-IJLUTSLNSA-N 2 1 283.441 2.108 20 0 CEADMP CC(C)(C)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC000415030906 394854650 /nfs/dbraw/zinc/85/46/50/394854650.db2.gz FNHAZMXKKMENBH-PJXYFTJBSA-N 2 1 250.411 2.353 20 0 CEADMP CC[C@@]1(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CCC[NH2+]1 ZINC000128798413 394855808 /nfs/dbraw/zinc/85/58/08/394855808.db2.gz HOLGXNFSLMBTDJ-INIZCTEOSA-N 2 1 299.378 2.046 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000129010270 394856832 /nfs/dbraw/zinc/85/68/32/394856832.db2.gz UZEHNYLJJUUHHD-UKRRQHHQSA-N 2 1 270.380 2.184 20 0 CEADMP Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415035999 394857954 /nfs/dbraw/zinc/85/79/54/394857954.db2.gz JQFVMKYBLLIEPO-AWEZNQCLSA-N 2 1 268.788 2.117 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000415037683 394858623 /nfs/dbraw/zinc/85/86/23/394858623.db2.gz HCPCEGCCQWMMFV-AWEZNQCLSA-N 2 1 278.396 2.311 20 0 CEADMP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415040232 394859506 /nfs/dbraw/zinc/85/95/06/394859506.db2.gz OSCKYCFYHNNPLB-SJLPKXTDSA-N 3 1 287.451 2.368 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422913739 394860896 /nfs/dbraw/zinc/86/08/96/394860896.db2.gz QQENUCIADDOZOW-CQSZACIVSA-N 3 1 275.440 2.224 20 0 CEADMP CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)C2C[NH2+]C2)c1 ZINC000422913739 394860900 /nfs/dbraw/zinc/86/09/00/394860900.db2.gz QQENUCIADDOZOW-CQSZACIVSA-N 2 1 275.440 2.224 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)C2C[NH2+]C2)c1 ZINC000422913739 394860902 /nfs/dbraw/zinc/86/09/02/394860902.db2.gz QQENUCIADDOZOW-CQSZACIVSA-N 2 1 275.440 2.224 20 0 CEADMP Cc1[nH+]c(N2CCOCC2)ccc1NC[C@@H]([NH3+])CC(C)C ZINC000415095472 394887523 /nfs/dbraw/zinc/88/75/23/394887523.db2.gz ZVFJBPVHVZBLPP-AWEZNQCLSA-N 2 1 292.427 2.012 20 0 CEADMP CC[NH2+]CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423237234 394887761 /nfs/dbraw/zinc/88/77/61/394887761.db2.gz PSQUNOHBYWXYFV-HOTGVXAUSA-N 2 1 261.413 2.021 20 0 CEADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423228035 394888432 /nfs/dbraw/zinc/88/84/32/394888432.db2.gz XYWXJTLKWHEPLY-NUEKZKHPSA-N 2 1 261.413 2.149 20 0 CEADMP C[N@H+]1CC[C@@H](NCC(C)(C)[NH3+])C[C@@H]1c1ccccc1 ZINC000423283258 394888791 /nfs/dbraw/zinc/88/87/91/394888791.db2.gz FBNAEALPCXULKI-HUUCEWRRSA-N 2 1 261.413 2.149 20 0 CEADMP Cc1cnccc1NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000363951509 394889640 /nfs/dbraw/zinc/88/96/40/394889640.db2.gz HKUOEXTZDRYNSH-INIZCTEOSA-N 2 1 296.374 2.120 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)o2)CCCO1 ZINC000415104195 394891276 /nfs/dbraw/zinc/89/12/76/394891276.db2.gz GTMYAWGBDZJBGC-MRXNPFEDSA-N 2 1 286.375 2.496 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)CCCO1 ZINC000415104195 394891280 /nfs/dbraw/zinc/89/12/80/394891280.db2.gz GTMYAWGBDZJBGC-MRXNPFEDSA-N 2 1 286.375 2.496 20 0 CEADMP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415104783 394891477 /nfs/dbraw/zinc/89/14/77/394891477.db2.gz LFRSNDOHEQFNCQ-CABCVRRESA-N 2 1 290.407 2.269 20 0 CEADMP CC(C)(C)c1ccncc1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415119327 394896322 /nfs/dbraw/zinc/89/63/22/394896322.db2.gz HQIIXRIJZMPDOH-MRXNPFEDSA-N 2 1 261.413 2.468 20 0 CEADMP COc1ccsc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415120402 394896413 /nfs/dbraw/zinc/89/64/13/394896413.db2.gz FWOZLCNEJBAQKN-WDEREUQCSA-N 2 1 254.399 2.173 20 0 CEADMP COc1ccsc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415120396 394896542 /nfs/dbraw/zinc/89/65/42/394896542.db2.gz FWOZLCNEJBAQKN-GHMZBOCLSA-N 2 1 254.399 2.173 20 0 CEADMP C[C@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1C[NH3+] ZINC000415123142 394897547 /nfs/dbraw/zinc/89/75/47/394897547.db2.gz IZQZQKHVSFKLSD-JSGCOSHPSA-N 2 1 264.417 2.055 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1C[NH3+] ZINC000415123142 394897551 /nfs/dbraw/zinc/89/75/51/394897551.db2.gz IZQZQKHVSFKLSD-JSGCOSHPSA-N 2 1 264.417 2.055 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423359189 394900149 /nfs/dbraw/zinc/90/01/49/394900149.db2.gz CVBGAIOOWVOPRT-QEJZJMRPSA-N 2 1 262.397 2.307 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423358884 394900293 /nfs/dbraw/zinc/90/02/93/394900293.db2.gz CHGPJMRZMIDACH-TVQRCGJNSA-N 2 1 283.213 2.243 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)cn1 ZINC000423363870 394901287 /nfs/dbraw/zinc/90/12/87/394901287.db2.gz CAMMXYIOMGGDQX-SCVCMEIPSA-N 2 1 253.777 2.384 20 0 CEADMP C[C@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000423364641 394902677 /nfs/dbraw/zinc/90/26/77/394902677.db2.gz OWOWAQBIKIQQEQ-JQHSSLGASA-N 2 1 287.451 2.381 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000423367193 394903211 /nfs/dbraw/zinc/90/32/11/394903211.db2.gz DEWUHUHHSMXCPG-DYEKYZERSA-N 2 1 250.390 2.255 20 0 CEADMP C[C@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000423367769 394903449 /nfs/dbraw/zinc/90/34/49/394903449.db2.gz DQFPMMCBBMQYCK-CYGHRXIMSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CN1Cc1ccccc1 ZINC000423367769 394903454 /nfs/dbraw/zinc/90/34/54/394903454.db2.gz DQFPMMCBBMQYCK-CYGHRXIMSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000423367772 394903862 /nfs/dbraw/zinc/90/38/62/394903862.db2.gz DQFPMMCBBMQYCK-JOCBIADPSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CN1Cc1ccccc1 ZINC000423367772 394903865 /nfs/dbraw/zinc/90/38/65/394903865.db2.gz DQFPMMCBBMQYCK-JOCBIADPSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000423374497 394905628 /nfs/dbraw/zinc/90/56/28/394905628.db2.gz WZFQUSIPHGYRNP-ILXRZTDVSA-N 2 1 295.471 2.001 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000423377725 394906721 /nfs/dbraw/zinc/90/67/21/394906721.db2.gz KGZTWXYKRGFEPJ-MGPQQGTHSA-N 2 1 256.434 2.414 20 0 CEADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000423378689 394908399 /nfs/dbraw/zinc/90/83/99/394908399.db2.gz MOVOVIKFPBEDIS-MKBNYLNASA-N 2 1 275.396 2.436 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)CCCO2 ZINC000423389326 394910639 /nfs/dbraw/zinc/91/06/39/394910639.db2.gz JIKDQPDTWACDEI-VBNZEHGJSA-N 2 1 290.407 2.497 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cn1 ZINC000423397878 394914980 /nfs/dbraw/zinc/91/49/80/394914980.db2.gz VDBNLEFILFZHPU-HIFRSBDPSA-N 2 1 291.439 2.389 20 0 CEADMP Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)nc(C)[nH+]1 ZINC000364887105 394916136 /nfs/dbraw/zinc/91/61/36/394916136.db2.gz ZLQRUKMORJCZGO-SOUVJXGZSA-N 2 1 272.396 2.014 20 0 CEADMP Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)nc(C)[nH+]1 ZINC000364887105 394916139 /nfs/dbraw/zinc/91/61/39/394916139.db2.gz ZLQRUKMORJCZGO-SOUVJXGZSA-N 2 1 272.396 2.014 20 0 CEADMP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423422896 394918712 /nfs/dbraw/zinc/91/87/12/394918712.db2.gz DCBZFHBNNIKZIO-DBRALVMTSA-N 2 1 290.382 2.101 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000365188959 394919919 /nfs/dbraw/zinc/91/99/19/394919919.db2.gz IGFVFWXGTRSPIE-QGZVFWFLSA-N 2 1 294.414 2.451 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000365188959 394919925 /nfs/dbraw/zinc/91/99/25/394919925.db2.gz IGFVFWXGTRSPIE-QGZVFWFLSA-N 2 1 294.414 2.451 20 0 CEADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423431459 394921304 /nfs/dbraw/zinc/92/13/04/394921304.db2.gz VKEPEPIBOJILID-VDHUWJSZSA-N 2 1 289.467 2.300 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](CC)CC1 ZINC000365214563 394921823 /nfs/dbraw/zinc/92/18/23/394921823.db2.gz HIKROGGNANEIND-UHFFFAOYSA-N 2 1 297.487 2.443 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423457874 394925590 /nfs/dbraw/zinc/92/55/90/394925590.db2.gz GGYPRDDYCCFSON-DZGCQCFKSA-N 3 1 279.428 2.015 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC000365624517 394929709 /nfs/dbraw/zinc/92/97/09/394929709.db2.gz SXACZAMMIPRBDB-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000365624517 394929713 /nfs/dbraw/zinc/92/97/13/394929713.db2.gz SXACZAMMIPRBDB-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000365624517 394929716 /nfs/dbraw/zinc/92/97/16/394929716.db2.gz SXACZAMMIPRBDB-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423487116 394932381 /nfs/dbraw/zinc/93/23/81/394932381.db2.gz UZQWWRRRLRFORO-YNEHKIRRSA-N 2 1 276.371 2.026 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc2ccccc21 ZINC000423486983 394932528 /nfs/dbraw/zinc/93/25/28/394932528.db2.gz WXQCTZCYEVSFMT-GDBMZVCRSA-N 2 1 283.419 2.394 20 0 CEADMP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CC2)cc1 ZINC000423492707 394935419 /nfs/dbraw/zinc/93/54/19/394935419.db2.gz OILSDSWUWVYJCY-DLBZAZTESA-N 2 1 274.408 2.414 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cn1 ZINC000423503106 394938673 /nfs/dbraw/zinc/93/86/73/394938673.db2.gz MOJIQWKEENRIHF-DOMZBBRYSA-N 2 1 277.412 2.128 20 0 CEADMP CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423522740 394943688 /nfs/dbraw/zinc/94/36/88/394943688.db2.gz ROWIYDVDMMPJDV-XJKSGUPXSA-N 2 1 278.396 2.114 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C12CCC2 ZINC000423566297 394952233 /nfs/dbraw/zinc/95/22/33/394952233.db2.gz TZWHKWXLPJGYHL-HZSPNIEDSA-N 2 1 252.402 2.066 20 0 CEADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340249224 394981461 /nfs/dbraw/zinc/98/14/61/394981461.db2.gz FIHHBCQALOMCKN-OIISXLGYSA-N 2 1 276.424 2.430 20 0 CEADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340249224 394981464 /nfs/dbraw/zinc/98/14/64/394981464.db2.gz FIHHBCQALOMCKN-OIISXLGYSA-N 2 1 276.424 2.430 20 0 CEADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340246854 394982231 /nfs/dbraw/zinc/98/22/31/394982231.db2.gz XZZCBNHSTDDBOV-YESZJQIVSA-N 2 1 276.424 2.428 20 0 CEADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340246854 394982233 /nfs/dbraw/zinc/98/22/33/394982233.db2.gz XZZCBNHSTDDBOV-YESZJQIVSA-N 2 1 276.424 2.428 20 0 CEADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000415957402 394986839 /nfs/dbraw/zinc/98/68/39/394986839.db2.gz PGYWCTLSDSWTSV-CQSZACIVSA-N 2 1 290.411 2.012 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CS1 ZINC000368466632 394986955 /nfs/dbraw/zinc/98/69/55/394986955.db2.gz RKWYYFOJUICKIU-XGUBFFRZSA-N 2 1 298.496 2.359 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CS1 ZINC000368466632 394986963 /nfs/dbraw/zinc/98/69/63/394986963.db2.gz RKWYYFOJUICKIU-XGUBFFRZSA-N 2 1 298.496 2.359 20 0 CEADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000368603156 394989905 /nfs/dbraw/zinc/98/99/05/394989905.db2.gz MBZVOEUNSBAVCC-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cc(C)n2c(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)cnc2n1 ZINC000370896194 395021611 /nfs/dbraw/zinc/02/16/11/395021611.db2.gz XKBWVYYCQZSNOK-CABCVRRESA-N 2 1 299.422 2.063 20 0 CEADMP Cc1cc(C)n2c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cnc2n1 ZINC000370896194 395021613 /nfs/dbraw/zinc/02/16/13/395021613.db2.gz XKBWVYYCQZSNOK-CABCVRRESA-N 2 1 299.422 2.063 20 0 CEADMP Cc1cc(C)n2c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cnc2n1 ZINC000370896194 395021615 /nfs/dbraw/zinc/02/16/15/395021615.db2.gz XKBWVYYCQZSNOK-CABCVRRESA-N 2 1 299.422 2.063 20 0 CEADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367613149 394966919 /nfs/dbraw/zinc/96/69/19/394966919.db2.gz FJRBAZNTRDLQFL-MJBXVCDLSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@@H](C(=O)N[C@@H](C)CCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000423690018 394966972 /nfs/dbraw/zinc/96/69/72/394966972.db2.gz NPZJDTXJLGGALM-HOCLYGCPSA-N 2 1 291.439 2.141 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158566497 395048843 /nfs/dbraw/zinc/04/88/43/395048843.db2.gz AAQLMPNDHXHGCZ-CAOSSQGBSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158566497 395048848 /nfs/dbraw/zinc/04/88/48/395048848.db2.gz AAQLMPNDHXHGCZ-CAOSSQGBSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158566497 395048852 /nfs/dbraw/zinc/04/88/52/395048852.db2.gz AAQLMPNDHXHGCZ-CAOSSQGBSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158566497 395048857 /nfs/dbraw/zinc/04/88/57/395048857.db2.gz AAQLMPNDHXHGCZ-CAOSSQGBSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000158657607 395051371 /nfs/dbraw/zinc/05/13/71/395051371.db2.gz KSDXZNKMYGWXNA-ZNMIVQPWSA-N 2 1 278.444 2.439 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000158657607 395051372 /nfs/dbraw/zinc/05/13/72/395051372.db2.gz KSDXZNKMYGWXNA-ZNMIVQPWSA-N 2 1 278.444 2.439 20 0 CEADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426936106 395086152 /nfs/dbraw/zinc/08/61/52/395086152.db2.gz XWJJWLHBYUDDEX-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000289791538 395087551 /nfs/dbraw/zinc/08/75/51/395087551.db2.gz NGNZEWYKBCOUOU-NRSFXHEJSA-N 2 1 288.435 2.225 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427120789 395093026 /nfs/dbraw/zinc/09/30/26/395093026.db2.gz VAOSAMKWDBESSV-UKPHBRMFSA-N 2 1 274.408 2.483 20 0 CEADMP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427127753 395093297 /nfs/dbraw/zinc/09/32/97/395093297.db2.gz HIIWYDHVGUHZSK-DOTOQJQBSA-N 2 1 274.408 2.441 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427127753 395093299 /nfs/dbraw/zinc/09/32/99/395093299.db2.gz HIIWYDHVGUHZSK-DOTOQJQBSA-N 2 1 274.408 2.441 20 0 CEADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000346367641 395096502 /nfs/dbraw/zinc/09/65/02/395096502.db2.gz KGCNIZIINLVRFW-WCVJEAGWSA-N 2 1 266.429 2.408 20 0 CEADMP COCCc1ccnc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000287369411 395039027 /nfs/dbraw/zinc/03/90/27/395039027.db2.gz HRWHIBSHBTXKJZ-CABCVRRESA-N 2 1 275.396 2.309 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cccc3c2OCCCO3)CC[C@H]1[NH3+] ZINC000347060443 395118578 /nfs/dbraw/zinc/11/85/78/395118578.db2.gz YBNYASGJYSYTIU-TZMCWYRMSA-N 2 1 276.380 2.017 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2OCCCO3)CC[C@H]1[NH3+] ZINC000347060443 395118583 /nfs/dbraw/zinc/11/85/83/395118583.db2.gz YBNYASGJYSYTIU-TZMCWYRMSA-N 2 1 276.380 2.017 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000376384888 395118758 /nfs/dbraw/zinc/11/87/58/395118758.db2.gz KJBAAXUAVBTCIN-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000376673610 395127301 /nfs/dbraw/zinc/12/73/01/395127301.db2.gz RNPRAAIPRRXPGV-UHFFFAOYSA-N 2 1 289.423 2.403 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428038320 395133486 /nfs/dbraw/zinc/13/34/86/395133486.db2.gz XNOUHSZBWSKTAP-HZPDHXFCSA-N 2 1 274.408 2.448 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(O)c2)C1 ZINC000290490896 395105402 /nfs/dbraw/zinc/10/54/02/395105402.db2.gz OPKGUUPTSZVPMN-GDBMZVCRSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(O)c2)C1 ZINC000290490896 395105408 /nfs/dbraw/zinc/10/54/08/395105408.db2.gz OPKGUUPTSZVPMN-GDBMZVCRSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(O)c2)C1 ZINC000290490896 395105410 /nfs/dbraw/zinc/10/54/10/395105410.db2.gz OPKGUUPTSZVPMN-GDBMZVCRSA-N 2 1 260.381 2.308 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000347917621 395131640 /nfs/dbraw/zinc/13/16/40/395131640.db2.gz QACYJGLZAQFVRZ-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000379243802 395162485 /nfs/dbraw/zinc/16/24/85/395162485.db2.gz YAUXIRJBNVUUGY-CVEARBPZSA-N 2 1 260.381 2.060 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000178255081 395163955 /nfs/dbraw/zinc/16/39/55/395163955.db2.gz BBDAEOBQUDTNKI-KEYYUXOJSA-N 2 1 279.472 2.179 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000430952028 395167595 /nfs/dbraw/zinc/16/75/95/395167595.db2.gz XFXCKWXJHIBIQF-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+][C@@]1(C)CCCc2ccccc21)C1CC1 ZINC000351595616 395228109 /nfs/dbraw/zinc/22/81/09/395228109.db2.gz RNGBQUNAIYKFTQ-WMZOPIPTSA-N 2 1 288.435 2.283 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@]1(C)CCCc2ccccc21)C1CC1 ZINC000351595616 395228110 /nfs/dbraw/zinc/22/81/10/395228110.db2.gz RNGBQUNAIYKFTQ-WMZOPIPTSA-N 2 1 288.435 2.283 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000352157176 395246507 /nfs/dbraw/zinc/24/65/07/395246507.db2.gz SJRCMQZTOFHVED-XHSDSOJGSA-N 2 1 297.487 2.390 20 0 CEADMP C[NH2+]CCCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382765710 395183835 /nfs/dbraw/zinc/18/38/35/395183835.db2.gz SUGZAEUXYOIAEV-KRWDZBQOSA-N 2 1 275.440 2.050 20 0 CEADMP CC1(C)CN(C[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000382760739 395183933 /nfs/dbraw/zinc/18/39/33/395183933.db2.gz JHMNTFOLBJQPIB-KRWDZBQOSA-N 2 1 287.451 2.192 20 0 CEADMP CC[C@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000181742186 395223139 /nfs/dbraw/zinc/22/31/39/395223139.db2.gz ALFBLICRXNPLIS-HOCLYGCPSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@@H](CNCc1ncc[nH]1)C1CC1 ZINC000185223951 395278011 /nfs/dbraw/zinc/27/80/11/395278011.db2.gz NTTCFJSYSKFOQO-INIZCTEOSA-N 2 1 284.407 2.410 20 0 CEADMP COc1cccc(OCC[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000420290567 395298164 /nfs/dbraw/zinc/29/81/64/395298164.db2.gz MCRMTDHLFSBTBJ-KBPBESRZSA-N 2 1 278.396 2.133 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353464216 395298490 /nfs/dbraw/zinc/29/84/90/395298490.db2.gz PVJOEUJUDTVDJR-YYIAUSFCSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353464216 395298492 /nfs/dbraw/zinc/29/84/92/395298492.db2.gz PVJOEUJUDTVDJR-YYIAUSFCSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353464216 395298494 /nfs/dbraw/zinc/29/84/94/395298494.db2.gz PVJOEUJUDTVDJR-YYIAUSFCSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1CCCN(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353464216 395298497 /nfs/dbraw/zinc/29/84/97/395298497.db2.gz PVJOEUJUDTVDJR-YYIAUSFCSA-N 2 1 279.472 2.181 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000353509547 395300357 /nfs/dbraw/zinc/30/03/57/395300357.db2.gz HLOAXCJEAXEUPD-PMPSAXMXSA-N 2 1 295.471 2.145 20 0 CEADMP CCOC[C@@H]1CC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420294544 395300982 /nfs/dbraw/zinc/30/09/82/395300982.db2.gz BAPFXWKGAOODPB-ZBFHGGJFSA-N 2 1 292.423 2.096 20 0 CEADMP CCOC[C@H]1CC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420294543 395301192 /nfs/dbraw/zinc/30/11/92/395301192.db2.gz BAPFXWKGAOODPB-HOCLYGCPSA-N 2 1 292.423 2.096 20 0 CEADMP C[C@@H](C1CC1)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000420295488 395301991 /nfs/dbraw/zinc/30/19/91/395301991.db2.gz AQXLXKVHDHEMKB-KKXDTOCCSA-N 2 1 288.435 2.180 20 0 CEADMP C[C@@H](C1CC1)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000420295488 395301993 /nfs/dbraw/zinc/30/19/93/395301993.db2.gz AQXLXKVHDHEMKB-KKXDTOCCSA-N 2 1 288.435 2.180 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000353626069 395303657 /nfs/dbraw/zinc/30/36/57/395303657.db2.gz TZXHZIDSYVZNRQ-UBDQQSCGSA-N 2 1 288.435 2.082 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@@H](c2ccccc2)O1 ZINC000420301788 395307705 /nfs/dbraw/zinc/30/77/05/395307705.db2.gz JEMOJEQBIFWGKQ-INMHGKMJSA-N 2 1 274.408 2.448 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420309041 395313311 /nfs/dbraw/zinc/31/33/11/395313311.db2.gz DIMQUIBAKZTYAI-HZPDHXFCSA-N 2 1 288.439 2.123 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)[nH+]1 ZINC000420309041 395313313 /nfs/dbraw/zinc/31/33/13/395313313.db2.gz DIMQUIBAKZTYAI-HZPDHXFCSA-N 3 1 288.439 2.123 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)[nH+]1 ZINC000420309041 395313317 /nfs/dbraw/zinc/31/33/17/395313317.db2.gz DIMQUIBAKZTYAI-HZPDHXFCSA-N 3 1 288.439 2.123 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc4cccnc4s3)C[C@@H]21 ZINC000420311245 395314892 /nfs/dbraw/zinc/31/48/92/395314892.db2.gz QRVWMLAPGHOUER-GRYCIOLGSA-N 2 1 288.420 2.251 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc4cccnc4s3)C[C@@H]21 ZINC000420311245 395314896 /nfs/dbraw/zinc/31/48/96/395314896.db2.gz QRVWMLAPGHOUER-GRYCIOLGSA-N 2 1 288.420 2.251 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1C ZINC000420314832 395318354 /nfs/dbraw/zinc/31/83/54/395318354.db2.gz KJCLGSKJMIVEID-SNPRPXQTSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1C ZINC000420314832 395318357 /nfs/dbraw/zinc/31/83/57/395318357.db2.gz KJCLGSKJMIVEID-SNPRPXQTSA-N 2 1 289.423 2.300 20 0 CEADMP COC(=O)c1ccccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420315726 395320537 /nfs/dbraw/zinc/32/05/37/395320537.db2.gz XJDNJVBITVXZLY-UHFFFAOYSA-N 2 1 288.391 2.049 20 0 CEADMP COc1cccc(OCC[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000420318465 395321988 /nfs/dbraw/zinc/32/19/88/395321988.db2.gz WGCYNRBYHJKOMD-AWEZNQCLSA-N 2 1 278.396 2.148 20 0 CEADMP COC(=O)c1cc2cc(C[N@@H+](C)C3CC([NH3+])C3)ccc2o1 ZINC000420324666 395327604 /nfs/dbraw/zinc/32/76/04/395327604.db2.gz CHMDTMMZVVZIKT-UHFFFAOYSA-N 2 1 288.347 2.141 20 0 CEADMP Cc1ccc(CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000419334405 395259206 /nfs/dbraw/zinc/25/92/06/395259206.db2.gz NJZQBYCVTYSIFH-QGZVFWFLSA-N 2 1 290.451 2.361 20 0 CEADMP Cc1ccc(CC(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000419334405 395259207 /nfs/dbraw/zinc/25/92/07/395259207.db2.gz NJZQBYCVTYSIFH-QGZVFWFLSA-N 2 1 290.451 2.361 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)[C@@H](C)[C@H]2C)CC1 ZINC000419359696 395264857 /nfs/dbraw/zinc/26/48/57/395264857.db2.gz RNPVNUGFRIWZSO-BRWVUGGUSA-N 2 1 281.488 2.379 20 0 CEADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000352905187 395275813 /nfs/dbraw/zinc/27/58/13/395275813.db2.gz TWCCBKCHIWTZTD-KBMXLJTQSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000352905187 395275816 /nfs/dbraw/zinc/27/58/16/395275816.db2.gz TWCCBKCHIWTZTD-KBMXLJTQSA-N 2 1 281.488 2.425 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCC1CC[NH2+]CC1 ZINC000420365824 395353802 /nfs/dbraw/zinc/35/38/02/395353802.db2.gz SSVHYUPZPHPEMO-XHSDSOJGSA-N 2 1 294.439 2.182 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](C)[C@H](OC)C2)cc1 ZINC000420367307 395354277 /nfs/dbraw/zinc/35/42/77/395354277.db2.gz VJKROLYWPJPNST-YSVLISHTSA-N 2 1 292.423 2.094 20 0 CEADMP CCC[C@@H]1CN(C[C@H](C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000420371180 395357606 /nfs/dbraw/zinc/35/76/06/395357606.db2.gz KIDKTTJHWVSIOU-DOTOQJQBSA-N 2 1 275.440 2.320 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000420373019 395358343 /nfs/dbraw/zinc/35/83/43/395358343.db2.gz MRQOKVHTHSKGNP-QGZVFWFLSA-N 2 1 289.423 2.283 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000420373471 395359918 /nfs/dbraw/zinc/35/99/18/395359918.db2.gz ZGWUKHYOZXECKP-CYBMUJFWSA-N 2 1 299.365 2.256 20 0 CEADMP Cc1cc(C2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)n[nH]1 ZINC000420375042 395360551 /nfs/dbraw/zinc/36/05/51/395360551.db2.gz OSXAYWSMYWDNNI-AWEZNQCLSA-N 2 1 276.428 2.287 20 0 CEADMP CCc1cccc(OCC[N@H+](C)CCC[NH2+]C)c1 ZINC000420393588 395367875 /nfs/dbraw/zinc/36/78/75/395367875.db2.gz XWANEYMCYBCMJJ-UHFFFAOYSA-N 2 1 250.386 2.169 20 0 CEADMP CCc1cccc(OCC[N@@H+](C)CCC[NH2+]C)c1 ZINC000420393588 395367877 /nfs/dbraw/zinc/36/78/77/395367877.db2.gz XWANEYMCYBCMJJ-UHFFFAOYSA-N 2 1 250.386 2.169 20 0 CEADMP Cc1[nH+]ccn1CCCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000420396353 395369072 /nfs/dbraw/zinc/36/90/72/395369072.db2.gz DZKBOUUFODAANG-KRWDZBQOSA-N 2 1 284.407 2.228 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C(C)C ZINC000420408301 395374651 /nfs/dbraw/zinc/37/46/51/395374651.db2.gz WBNHGUZNTGQNSR-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C(C)C ZINC000420408301 395374653 /nfs/dbraw/zinc/37/46/53/395374653.db2.gz WBNHGUZNTGQNSR-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CC[N@@H+](CCc2nc3ccccc3n2C)C[C@@H]1C[NH3+] ZINC000420418087 395375652 /nfs/dbraw/zinc/37/56/52/395375652.db2.gz WVEKUWDOTMOTFD-KGLIPLIRSA-N 2 1 286.423 2.033 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000442771588 395393168 /nfs/dbraw/zinc/39/31/68/395393168.db2.gz UGLRFVLPFLLLJU-KBPBESRZSA-N 2 1 297.402 2.447 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000442771588 395393174 /nfs/dbraw/zinc/39/31/74/395393174.db2.gz UGLRFVLPFLLLJU-KBPBESRZSA-N 2 1 297.402 2.447 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442773663 395393549 /nfs/dbraw/zinc/39/35/49/395393549.db2.gz XQRNAMMYJRWUOW-YPMHNXCESA-N 2 1 270.380 2.107 20 0 CEADMP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1nccn1C(F)F ZINC000420327311 395329338 /nfs/dbraw/zinc/32/93/38/395329338.db2.gz YMBRLXGMEXMGIQ-LLVKDONJSA-N 2 1 272.343 2.100 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1nccn1C(F)F ZINC000420327311 395329341 /nfs/dbraw/zinc/32/93/41/395329341.db2.gz YMBRLXGMEXMGIQ-LLVKDONJSA-N 2 1 272.343 2.100 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000354503243 395334284 /nfs/dbraw/zinc/33/42/84/395334284.db2.gz VWCMDNNUGNPSKQ-CABCVRRESA-N 2 1 283.460 2.096 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000411967870 395343172 /nfs/dbraw/zinc/34/31/72/395343172.db2.gz IWBBKXVGXJQCRO-QEJZJMRPSA-N 2 1 254.418 2.264 20 0 CEADMP COc1cccc([C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)c1 ZINC000420361205 395348510 /nfs/dbraw/zinc/34/85/10/395348510.db2.gz MXBDDSKVGYUZPY-RHSMWYFYSA-N 2 1 290.407 2.068 20 0 CEADMP COc1cccc2c1CC[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC000420361279 395348637 /nfs/dbraw/zinc/34/86/37/395348637.db2.gz NBLGXTPSZYFHTI-UHFFFAOYSA-N 2 1 288.435 2.486 20 0 CEADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420364411 395351570 /nfs/dbraw/zinc/35/15/70/395351570.db2.gz CVOWDVZGDFFPBP-IAGOWNOFSA-N 2 1 276.424 2.176 20 0 CEADMP c1ccc(C[N@H+](CC[C@H]2CCC[NH2+]C2)C2CC2)nc1 ZINC000420365611 395351873 /nfs/dbraw/zinc/35/18/73/395351873.db2.gz SIVVUMQOLIWFMC-CQSZACIVSA-N 2 1 259.397 2.436 20 0 CEADMP CC[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCN1CC(F)F ZINC000420366886 395353211 /nfs/dbraw/zinc/35/32/11/395353211.db2.gz UZZGDEOYYXZOOW-KGLIPLIRSA-N 2 1 289.414 2.037 20 0 CEADMP C[C@H]1C[C@@H](NCC[NH+]2CCCC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000444014690 395411690 /nfs/dbraw/zinc/41/16/90/395411690.db2.gz YFEIFUVJEAMYQQ-LSDHHAIUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1C[C@@H](NCC[NH+]2CCCC(C)(C)C2)C[N@H+]1C1CC1 ZINC000444014690 395411692 /nfs/dbraw/zinc/41/16/92/395411692.db2.gz YFEIFUVJEAMYQQ-LSDHHAIUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1C[C@@H](NCC[N@@H+]2CCCC(C)(C)C2)C[NH+]1C1CC1 ZINC000444014690 395411696 /nfs/dbraw/zinc/41/16/96/395411696.db2.gz YFEIFUVJEAMYQQ-LSDHHAIUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1C[C@@H](NCC[N@H+]2CCCC(C)(C)C2)C[NH+]1C1CC1 ZINC000444014690 395411700 /nfs/dbraw/zinc/41/17/00/395411700.db2.gz YFEIFUVJEAMYQQ-LSDHHAIUSA-N 2 1 279.472 2.323 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000444600391 395439739 /nfs/dbraw/zinc/43/97/39/395439739.db2.gz VVQTVKBIUFBMBB-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000444600391 395439740 /nfs/dbraw/zinc/43/97/40/395439740.db2.gz VVQTVKBIUFBMBB-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566245568 395507815 /nfs/dbraw/zinc/50/78/15/395507815.db2.gz VEYPKXXQPRJWEQ-RDTXWAMCSA-N 3 1 283.419 2.193 20 0 CEADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566245568 395507817 /nfs/dbraw/zinc/50/78/17/395507817.db2.gz VEYPKXXQPRJWEQ-RDTXWAMCSA-N 2 1 283.419 2.193 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CC[C@H](c3nccn3C)C2)o1 ZINC000566415172 395520105 /nfs/dbraw/zinc/52/01/05/395520105.db2.gz XVNCTQCKAQNRLG-LBPRGKRZSA-N 2 1 274.368 2.268 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000566500474 395532227 /nfs/dbraw/zinc/53/22/27/395532227.db2.gz IXNRECUVKWXHDU-YQQAZPJKSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000566500474 395532228 /nfs/dbraw/zinc/53/22/28/395532228.db2.gz IXNRECUVKWXHDU-YQQAZPJKSA-N 2 1 279.472 2.179 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1ccc(OCC(F)(F)F)cc1 ZINC000567864871 395537149 /nfs/dbraw/zinc/53/71/49/395537149.db2.gz WXYSTHCCQHXVME-UHFFFAOYSA-N 2 1 276.302 2.408 20 0 CEADMP C[C@H]1CN(CCCc2cncn2C)CC[N@H+](C2CCC2)C1 ZINC000565842378 395486813 /nfs/dbraw/zinc/48/68/13/395486813.db2.gz QYTSBFDJWXKEQM-HNNXBMFYSA-N 2 1 290.455 2.159 20 0 CEADMP Cc1cccc2oc(CC[NH2+][C@@H]3CNCC[C@@H]3C)nc21 ZINC000573355109 395606461 /nfs/dbraw/zinc/60/64/61/395606461.db2.gz MLIFXSJTRYHVAF-WCQYABFASA-N 2 1 273.380 2.266 20 0 CEADMP Cc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccn1 ZINC000573654816 395613466 /nfs/dbraw/zinc/61/34/66/395613466.db2.gz IISPOJCKNOJHEH-UHFFFAOYSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ccc2[nH]c(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)nc2c1 ZINC000568748515 395569396 /nfs/dbraw/zinc/56/93/96/395569396.db2.gz BOQGWYOTIUMTEQ-OLZOCXBDSA-N 2 1 272.396 2.349 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000451479347 395621338 /nfs/dbraw/zinc/62/13/38/395621338.db2.gz MQDHLGRDYHCYSL-KBUPBQIOSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H](CCc1ccccc1)C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647507747 395723723 /nfs/dbraw/zinc/72/37/23/395723723.db2.gz WZGASCULHZUKJV-HLLBOEOZSA-N 2 1 276.424 2.303 20 0 CEADMP C[C@H](CCc1ccccc1)C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647507747 395723724 /nfs/dbraw/zinc/72/37/24/395723724.db2.gz WZGASCULHZUKJV-HLLBOEOZSA-N 2 1 276.424 2.303 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCOC2(C)C)[C@H](c2ccccc2)C1 ZINC000647344126 395706889 /nfs/dbraw/zinc/70/68/89/395706889.db2.gz JWFKNBXHIWDRAL-IKGGRYGDSA-N 2 1 288.435 2.489 20 0 CEADMP COc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482965 395720199 /nfs/dbraw/zinc/72/01/99/395720199.db2.gz NDKCXPDRXCXZGV-UHFFFAOYSA-N 2 1 260.381 2.412 20 0 CEADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000647490943 395720840 /nfs/dbraw/zinc/72/08/40/395720840.db2.gz ZPEZLJCIAYQRCH-GFCCVEGCSA-N 2 1 271.364 2.024 20 0 CEADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000647490943 395720842 /nfs/dbraw/zinc/72/08/42/395720842.db2.gz ZPEZLJCIAYQRCH-GFCCVEGCSA-N 2 1 271.364 2.024 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647497646 395721548 /nfs/dbraw/zinc/72/15/48/395721548.db2.gz OINDUTJUBXHTHN-UHFFFAOYSA-N 2 1 292.814 2.365 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647497646 395721549 /nfs/dbraw/zinc/72/15/49/395721549.db2.gz OINDUTJUBXHTHN-UHFFFAOYSA-N 2 1 292.814 2.365 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccccc2OCCOC)CC[C@H]1[NH3+] ZINC000647498960 395722060 /nfs/dbraw/zinc/72/20/60/395722060.db2.gz UYPMLFGDIRZCRA-GDBMZVCRSA-N 2 1 292.423 2.271 20 0 CEADMP CC(C)[C@H](C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000647506762 395723053 /nfs/dbraw/zinc/72/30/53/395723053.db2.gz BVQFMCLJKVIYCY-BHYGNILZSA-N 2 1 276.424 2.474 20 0 CEADMP CC(C)[C@H](C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000647506762 395723055 /nfs/dbraw/zinc/72/30/55/395723055.db2.gz BVQFMCLJKVIYCY-BHYGNILZSA-N 2 1 276.424 2.474 20 0 CEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCc2ccccc2Cl)C1 ZINC000647549141 395732852 /nfs/dbraw/zinc/73/28/52/395732852.db2.gz JSRFZORBHHUWBW-YPMHNXCESA-N 2 1 252.789 2.470 20 0 CEADMP CC1([NH3+])CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000647531258 395727155 /nfs/dbraw/zinc/72/71/55/395727155.db2.gz KDIIQOLBWHPLTN-UHFFFAOYSA-N 2 1 270.380 2.390 20 0 CEADMP COCCCOc1cccc(C[NH+]2CCC(C)([NH3+])CC2)c1 ZINC000647531176 395727191 /nfs/dbraw/zinc/72/71/91/395727191.db2.gz FPMYNNRJOHPOGO-UHFFFAOYSA-N 2 1 292.423 2.415 20 0 CEADMP Cn1cc(C[NH+]2CCC(C)([NH3+])CC2)c(-c2cccs2)n1 ZINC000647530869 395727248 /nfs/dbraw/zinc/72/72/48/395727248.db2.gz MBMZPLPANLGRBE-UHFFFAOYSA-N 2 1 290.436 2.462 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cnc2ccccn12 ZINC000647541395 395730223 /nfs/dbraw/zinc/73/02/23/395730223.db2.gz NUAONPMHWDKMEJ-ZDUSSCGKSA-N 2 1 258.369 2.038 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cnc2ccccn12 ZINC000647541395 395730225 /nfs/dbraw/zinc/73/02/25/395730225.db2.gz NUAONPMHWDKMEJ-ZDUSSCGKSA-N 2 1 258.369 2.038 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542837 395730714 /nfs/dbraw/zinc/73/07/14/395730714.db2.gz CPGAJKZTPFOYCF-CVEARBPZSA-N 2 1 290.455 2.249 20 0 CEADMP CCc1nn(C)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543210 395730973 /nfs/dbraw/zinc/73/09/73/395730973.db2.gz JMGHHRIEILXAQH-GJZGRUSLSA-N 2 1 290.455 2.194 20 0 CEADMP FC(F)n1ccnc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542772 395731161 /nfs/dbraw/zinc/73/11/61/395731161.db2.gz BOZOAULXSVOMRT-STQMWFEESA-N 2 1 298.381 2.490 20 0 CEADMP FC(F)n1ccnc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542772 395731162 /nfs/dbraw/zinc/73/11/62/395731162.db2.gz BOZOAULXSVOMRT-STQMWFEESA-N 2 1 298.381 2.490 20 0 CEADMP c1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647544141 395731646 /nfs/dbraw/zinc/73/16/46/395731646.db2.gz XILAFMJLGYZKKT-CHWSQXEVSA-N 2 1 265.426 2.355 20 0 CEADMP [NH3+][C@@H]1CCC[C@H](Nc2[nH+]ccc3cc(F)ccc32)C1 ZINC000647707396 395747380 /nfs/dbraw/zinc/74/73/80/395747380.db2.gz KDPODHRACWGDES-OLZOCXBDSA-N 2 1 259.328 2.478 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCc2ccccc21 ZINC000647957943 395784844 /nfs/dbraw/zinc/78/48/44/395784844.db2.gz XBDRHCZETGCYFU-RDJZCZTQSA-N 2 1 276.424 2.307 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCc2ccccc21 ZINC000647957943 395784845 /nfs/dbraw/zinc/78/48/45/395784845.db2.gz XBDRHCZETGCYFU-RDJZCZTQSA-N 2 1 276.424 2.307 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000647957943 395784846 /nfs/dbraw/zinc/78/48/46/395784846.db2.gz XBDRHCZETGCYFU-RDJZCZTQSA-N 2 1 276.424 2.307 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000647957943 395784848 /nfs/dbraw/zinc/78/48/48/395784848.db2.gz XBDRHCZETGCYFU-RDJZCZTQSA-N 2 1 276.424 2.307 20 0 CEADMP c1ccc([C@@H]2CSCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647874759 395766627 /nfs/dbraw/zinc/76/66/27/395766627.db2.gz VOCHSYCMKWLPIP-ZFWWWQNUSA-N 2 1 262.422 2.386 20 0 CEADMP c1ccc([C@@H]2CSCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647874759 395766629 /nfs/dbraw/zinc/76/66/29/395766629.db2.gz VOCHSYCMKWLPIP-ZFWWWQNUSA-N 2 1 262.422 2.386 20 0 CEADMP CCC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000647883524 395768576 /nfs/dbraw/zinc/76/85/76/395768576.db2.gz ZLSUIJCZTGTYSF-GJZGRUSLSA-N 2 1 289.423 2.335 20 0 CEADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000647883524 395768577 /nfs/dbraw/zinc/76/85/77/395768577.db2.gz ZLSUIJCZTGTYSF-GJZGRUSLSA-N 2 1 289.423 2.335 20 0 CEADMP CC(C)N1C(=O)C[N@@H+](CCCC2CC[NH2+]CC2)CC1(C)C ZINC000647886080 395769135 /nfs/dbraw/zinc/76/91/35/395769135.db2.gz OLENJAYUTXITKU-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[C@H](CO)[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647886074 395769358 /nfs/dbraw/zinc/76/93/58/395769358.db2.gz NIZOZFQBAAUTKG-SJORKVTESA-N 2 1 276.424 2.115 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3noc4c3CCCC4)C[C@@H]21 ZINC000647907793 395771135 /nfs/dbraw/zinc/77/11/35/395771135.db2.gz VQNKUZDTNPVYDJ-KWCYVHTRSA-N 2 1 275.396 2.113 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3noc4c3CCCC4)C[C@@H]21 ZINC000647907793 395771136 /nfs/dbraw/zinc/77/11/36/395771136.db2.gz VQNKUZDTNPVYDJ-KWCYVHTRSA-N 2 1 275.396 2.113 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+]CC[C@H]2CCOC2)[C@H](c2ccccc2)C1 ZINC000648068448 395825033 /nfs/dbraw/zinc/82/50/33/395825033.db2.gz YWPLCCRSFSCEMA-JQHSSLGASA-N 2 1 288.435 2.348 20 0 CEADMP CCC[C@@H](C)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072171 395825855 /nfs/dbraw/zinc/82/58/55/395825855.db2.gz PWJVDEZLPNAXLB-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP COCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978604 395794287 /nfs/dbraw/zinc/79/42/87/395794287.db2.gz VNOOFNQAUPDFIT-CABCVRRESA-N 2 1 254.418 2.125 20 0 CEADMP [NH3+]C[C@H]([NH2+]CCCC1CC[NH2+]CC1)C1CCCCC1 ZINC000647988168 395796500 /nfs/dbraw/zinc/79/65/00/395796500.db2.gz YTGFNPSQFCQGQV-INIZCTEOSA-N 3 1 267.461 2.263 20 0 CEADMP Clc1cnc2oc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000648385224 395898993 /nfs/dbraw/zinc/89/89/93/395898993.db2.gz NZHCOXZAJBIQRK-PHIMTYICSA-N 2 1 277.755 2.132 20 0 CEADMP Clc1cnc2oc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000648385224 395898994 /nfs/dbraw/zinc/89/89/94/395898994.db2.gz NZHCOXZAJBIQRK-PHIMTYICSA-N 2 1 277.755 2.132 20 0 CEADMP C[C@@H]1[C@H](C(=O)N(CC[NH+](C)C)C2CCCCC2)CC[N@H+]1C ZINC000648779641 395981919 /nfs/dbraw/zinc/98/19/19/395981919.db2.gz ZVKXJWSAYMXFBH-GDBMZVCRSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H]1CC[NH2+]C1)CCC2 ZINC000649413618 396147580 /nfs/dbraw/zinc/14/75/80/396147580.db2.gz RZLHIHRDNSBHTI-AAEUAGOBSA-N 2 1 265.426 2.370 20 0 CEADMP c1cncc(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000649417727 396149371 /nfs/dbraw/zinc/14/93/71/396149371.db2.gz CHKYXNFZCJUZRE-SJORKVTESA-N 2 1 273.424 2.336 20 0 CEADMP Cc1cncc(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000649537742 396182197 /nfs/dbraw/zinc/18/21/97/396182197.db2.gz ONUHIHIBZZDVDI-KRWDZBQOSA-N 2 1 288.439 2.278 20 0 CEADMP Cc1cncc(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000649537742 396182198 /nfs/dbraw/zinc/18/21/98/396182198.db2.gz ONUHIHIBZZDVDI-KRWDZBQOSA-N 2 1 288.439 2.278 20 0 CEADMP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1(CO)CC=CC1 ZINC000646084289 396287871 /nfs/dbraw/zinc/28/78/71/396287871.db2.gz FBHBUPKODQSQOC-HZPDHXFCSA-N 2 1 280.456 2.414 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647166500 396426292 /nfs/dbraw/zinc/42/62/92/396426292.db2.gz RBNKWMVXDVTDEI-UHFFFAOYSA-N 2 1 287.411 2.089 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CO1 ZINC000647171262 396427601 /nfs/dbraw/zinc/42/76/01/396427601.db2.gz DMRGPVNGBAHUDT-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000218921165 400309451 /nfs/dbraw/zinc/30/94/51/400309451.db2.gz SJWLTQUGRVXCIV-HUUCEWRRSA-N 2 1 295.471 2.275 20 0 CEADMP C[N@H+](CCCC1CC[NH2+]CC1)Cc1nccs1 ZINC000387769848 400532002 /nfs/dbraw/zinc/53/20/02/400532002.db2.gz YYZIDCDAEKOUNZ-UHFFFAOYSA-N 2 1 253.415 2.355 20 0 CEADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1nccs1 ZINC000387769848 400532005 /nfs/dbraw/zinc/53/20/05/400532005.db2.gz YYZIDCDAEKOUNZ-UHFFFAOYSA-N 2 1 253.415 2.355 20 0 CEADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000388817541 400533931 /nfs/dbraw/zinc/53/39/31/400533931.db2.gz VZFIBEUSZZFMLB-CABCVRRESA-N 2 1 264.413 2.347 20 0 CEADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000388817541 400533933 /nfs/dbraw/zinc/53/39/33/400533933.db2.gz VZFIBEUSZZFMLB-CABCVRRESA-N 2 1 264.413 2.347 20 0 CEADMP C[N@@H+](CCC(C)(C)C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000646027790 400717783 /nfs/dbraw/zinc/71/77/83/400717783.db2.gz CDEWXYHGXFYOIU-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)C1 ZINC000650705242 400998485 /nfs/dbraw/zinc/99/84/85/400998485.db2.gz AEYXNELJSPYYPB-ZMSDIMECSA-N 2 1 290.407 2.111 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707738 400998767 /nfs/dbraw/zinc/99/87/67/400998767.db2.gz MENLVHDADXBGJH-KKUMJFAQSA-N 2 1 254.418 2.251 20 0 CEADMP CCO[C@@H]1C[N@H+](C/C=C\c2ccccc2OC)C[C@H]1C[NH3+] ZINC000650715369 401006133 /nfs/dbraw/zinc/00/61/33/401006133.db2.gz ZTTNVUILRNXEKS-LHYFVSQWSA-N 2 1 290.407 2.004 20 0 CEADMP CCO[C@@H]1C[N@@H+](C/C=C\c2ccccc2OC)C[C@H]1C[NH3+] ZINC000650715369 401006138 /nfs/dbraw/zinc/00/61/38/401006138.db2.gz ZTTNVUILRNXEKS-LHYFVSQWSA-N 2 1 290.407 2.004 20 0 CEADMP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037318651 286033142 /nfs/dbraw/zinc/03/31/42/286033142.db2.gz FNGWQXKKRMIZOM-GJZGRUSLSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1ccccc1-n1cncn1)C1CC1 ZINC000651600499 401359809 /nfs/dbraw/zinc/35/98/09/401359809.db2.gz XTCKVKMRBBYUDW-UHFFFAOYSA-N 2 1 299.422 2.231 20 0 CEADMP C[C@H]1CCCCC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000651685796 401371523 /nfs/dbraw/zinc/37/15/23/401371523.db2.gz DZBRUXPZCUFHIC-HOCLYGCPSA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000652222852 401466489 /nfs/dbraw/zinc/46/64/89/401466489.db2.gz ZHPUOTGLCKHZLU-CABCVRRESA-N 2 1 255.450 2.037 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000652222852 401466491 /nfs/dbraw/zinc/46/64/91/401466491.db2.gz ZHPUOTGLCKHZLU-CABCVRRESA-N 2 1 255.450 2.037 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000652222852 401466495 /nfs/dbraw/zinc/46/64/95/401466495.db2.gz ZHPUOTGLCKHZLU-CABCVRRESA-N 2 1 255.450 2.037 20 0 CEADMP C[C@H](c1ccncc1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349445 401491361 /nfs/dbraw/zinc/49/13/61/401491361.db2.gz OXUJQDVZFSVHSN-IWCQGFGOSA-N 2 1 289.423 2.361 20 0 CEADMP COCCCCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348653 401491755 /nfs/dbraw/zinc/49/17/55/401491755.db2.gz MBOFXNVUMNWZEK-HRCADAONSA-N 2 1 284.444 2.021 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)oc1C ZINC000652348408 401491813 /nfs/dbraw/zinc/49/18/13/401491813.db2.gz CRNCDNZZKYSUKT-KKUMJFAQSA-N 2 1 293.411 2.010 20 0 CEADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355167 401492897 /nfs/dbraw/zinc/49/28/97/401492897.db2.gz QHAYXQCTOUWGMX-PMPSAXMXSA-N 2 1 297.487 2.329 20 0 CEADMP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)oc1C ZINC000652363011 401494831 /nfs/dbraw/zinc/49/48/31/401494831.db2.gz VKGDOWGXOYGKPV-RRFJBIMHSA-N 2 1 293.411 2.152 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1Br ZINC000259037573 289257760 /nfs/dbraw/zinc/25/77/60/289257760.db2.gz PCONPIGPFXNXQV-NWDGAFQWSA-N 2 1 299.212 2.427 20 0 CEADMP CCn1nc(C)c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000307962474 289276352 /nfs/dbraw/zinc/27/63/52/289276352.db2.gz BIOSYSLCEADFMN-OAHLLOKOSA-N 2 1 278.444 2.340 20 0 CEADMP CCn1nc(C)c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1C ZINC000307962474 289276355 /nfs/dbraw/zinc/27/63/55/289276355.db2.gz BIOSYSLCEADFMN-OAHLLOKOSA-N 2 1 278.444 2.340 20 0 CEADMP C[C@@H]1CC[C@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)O1 ZINC000188586686 153061197 /nfs/dbraw/zinc/06/11/97/153061197.db2.gz BGLQLWMHBJFXSG-UKRRQHHQSA-N 2 1 277.412 2.242 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCS[C@@H](C)[C@@H]2C)CC1 ZINC000191500616 153175783 /nfs/dbraw/zinc/17/57/83/153175783.db2.gz ACNLCTYNUVQZQZ-HOTGVXAUSA-N 2 1 299.528 2.228 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CCS1 ZINC000191518753 153175911 /nfs/dbraw/zinc/17/59/11/153175911.db2.gz HBLYAIYSBSUHBW-MRXNPFEDSA-N 2 1 299.528 2.230 20 0 CEADMP CSc1ccc(OCC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193623669 153237896 /nfs/dbraw/zinc/23/78/96/153237896.db2.gz MKGKIFANPFCGIR-OKILXGFUSA-N 2 1 292.448 2.281 20 0 CEADMP CSc1ccc(OCC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193623669 153237900 /nfs/dbraw/zinc/23/79/00/153237900.db2.gz MKGKIFANPFCGIR-OKILXGFUSA-N 2 1 292.448 2.281 20 0 CEADMP CSc1ccc(OCC[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193623669 153237903 /nfs/dbraw/zinc/23/79/03/153237903.db2.gz MKGKIFANPFCGIR-OKILXGFUSA-N 2 1 292.448 2.281 20 0 CEADMP CSc1ccc(OCC[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193623669 153237907 /nfs/dbraw/zinc/23/79/07/153237907.db2.gz MKGKIFANPFCGIR-OKILXGFUSA-N 2 1 292.448 2.281 20 0 CEADMP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(Br)cc1F ZINC000220518972 153305153 /nfs/dbraw/zinc/30/51/53/153305153.db2.gz LQQCGTPLWZUSMN-QMMMGPOBSA-N 2 1 275.165 2.415 20 0 CEADMP COc1ccc(Br)c(C[NH2+][C@@H](C)CC[NH3+])c1 ZINC000220492789 153308304 /nfs/dbraw/zinc/30/83/04/153308304.db2.gz OUKKFUIAHNFWKG-VIFPVBQESA-N 2 1 287.201 2.285 20 0 CEADMP COCCCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230030754 153381632 /nfs/dbraw/zinc/38/16/32/153381632.db2.gz ZCGBTAISANHMRE-UHFFFAOYSA-N 2 1 250.386 2.264 20 0 CEADMP [NH3+]CCC[N@@H+](CCOCC(F)(F)F)Cc1ccccc1 ZINC000230031349 153382815 /nfs/dbraw/zinc/38/28/15/153382815.db2.gz DMTUAMYVSMKWSJ-UHFFFAOYSA-N 2 1 290.329 2.416 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000268037009 154143241 /nfs/dbraw/zinc/14/32/41/154143241.db2.gz MQPJKHCFFMPWIO-PMPSAXMXSA-N 2 1 273.424 2.338 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3)C2)CC[N@H+]1C ZINC000268037009 154143247 /nfs/dbraw/zinc/14/32/47/154143247.db2.gz MQPJKHCFFMPWIO-PMPSAXMXSA-N 2 1 273.424 2.338 20 0 CEADMP CC(C)([NH3+])C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000336409389 154252221 /nfs/dbraw/zinc/25/22/21/154252221.db2.gz DBBPYFRUZFJSJY-UHFFFAOYSA-N 2 1 272.396 2.480 20 0 CEADMP CC[N@@H+]1C[C@H](N[C@H]2CC[NH+](CC3CCCC3)C2)[C@@H](C)C1 ZINC000346259137 154288981 /nfs/dbraw/zinc/28/89/81/154288981.db2.gz IWAPAYSDLCNTOP-XIRDDKMYSA-N 2 1 279.472 2.181 20 0 CEADMP CC[NH+]1C[C@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)[C@@H](C)C1 ZINC000346259137 154288986 /nfs/dbraw/zinc/28/89/86/154288986.db2.gz IWAPAYSDLCNTOP-XIRDDKMYSA-N 2 1 279.472 2.181 20 0 CEADMP CC[NH+]1C[C@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)[C@@H](C)C1 ZINC000346259137 154288991 /nfs/dbraw/zinc/28/89/91/154288991.db2.gz IWAPAYSDLCNTOP-XIRDDKMYSA-N 2 1 279.472 2.181 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](CCOC)Cc2ccco2)CC1 ZINC000346815269 154301271 /nfs/dbraw/zinc/30/12/71/154301271.db2.gz SELNZOUQTIUYIB-HNNXBMFYSA-N 2 1 280.412 2.301 20 0 CEADMP CC[C@H](C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000348993467 154307325 /nfs/dbraw/zinc/30/73/25/154307325.db2.gz HIIPHBBIPKVXSS-SJLPKXTDSA-N 2 1 287.451 2.160 20 0 CEADMP CC[N@@H+](CCOCC[NH3+])Cc1ccc(Cl)cc1 ZINC000357083310 154379443 /nfs/dbraw/zinc/37/94/43/154379443.db2.gz YKOFFBSFCGPGHY-UHFFFAOYSA-N 2 1 256.777 2.137 20 0 CEADMP C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCOCC[NH3+] ZINC000357076708 154371039 /nfs/dbraw/zinc/37/10/39/154371039.db2.gz PELBBUAKBYSIEJ-NSHDSACASA-N 2 1 279.409 2.264 20 0 CEADMP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCOCC[NH3+] ZINC000357076708 154371044 /nfs/dbraw/zinc/37/10/44/154371044.db2.gz PELBBUAKBYSIEJ-NSHDSACASA-N 2 1 279.409 2.264 20 0 CEADMP Cc1ccc([C@@H]2CCC[N@H+]2CCOCC[NH3+])s1 ZINC000357082905 154377451 /nfs/dbraw/zinc/37/74/51/154377451.db2.gz PPOLTYSMPQSRHS-LBPRGKRZSA-N 2 1 254.399 2.169 20 0 CEADMP CC(C)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358852765 154797629 /nfs/dbraw/zinc/79/76/29/154797629.db2.gz LRKOQORDDFFBMF-HOTGVXAUSA-N 2 1 298.471 2.233 20 0 CEADMP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000359412450 155008114 /nfs/dbraw/zinc/00/81/14/155008114.db2.gz DYMPJZGOGCUBCR-LSDHHAIUSA-N 2 1 292.423 2.032 20 0 CEADMP CC(C)COc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000359456467 155020128 /nfs/dbraw/zinc/02/01/28/155020128.db2.gz GOCLOUVSAZJYSS-HZPDHXFCSA-N 2 1 274.408 2.373 20 0 CEADMP Fc1ccc2oc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000359457500 155021905 /nfs/dbraw/zinc/02/19/05/155021905.db2.gz OEVPJVSZXKVDGT-VXGBXAGGSA-N 2 1 260.312 2.223 20 0 CEADMP CC[C@H](C)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000359519967 155039215 /nfs/dbraw/zinc/03/92/15/155039215.db2.gz CBPNKEMDSLNYCA-HOTGVXAUSA-N 2 1 297.487 2.297 20 0 CEADMP CCc1ccc([C@@H](CO)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000359628526 155088278 /nfs/dbraw/zinc/08/82/78/155088278.db2.gz VPWCYOYTKJAGRA-IAGOWNOFSA-N 2 1 276.424 2.356 20 0 CEADMP CCc1ccc([C@@H](CO)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000359628526 155088281 /nfs/dbraw/zinc/08/82/81/155088281.db2.gz VPWCYOYTKJAGRA-IAGOWNOFSA-N 2 1 276.424 2.356 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000359696995 155114632 /nfs/dbraw/zinc/11/46/32/155114632.db2.gz AEAIJENPPZAKJX-CRAIPNDOSA-N 2 1 298.434 2.345 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000359712142 155120334 /nfs/dbraw/zinc/12/03/34/155120334.db2.gz KDTUDSVZIOZILN-CRAIPNDOSA-N 2 1 298.434 2.345 20 0 CEADMP c1ccc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)nc1 ZINC000363259591 156020444 /nfs/dbraw/zinc/02/04/44/156020444.db2.gz PHFRAMKKZPAEJB-PVAVHDDUSA-N 2 1 271.408 2.040 20 0 CEADMP c1ccc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)nc1 ZINC000363259591 156020448 /nfs/dbraw/zinc/02/04/48/156020448.db2.gz PHFRAMKKZPAEJB-PVAVHDDUSA-N 2 1 271.408 2.040 20 0 CEADMP c1ccc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)nc1 ZINC000363259591 156020449 /nfs/dbraw/zinc/02/04/49/156020449.db2.gz PHFRAMKKZPAEJB-PVAVHDDUSA-N 2 1 271.408 2.040 20 0 CEADMP COCCC[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000363634761 156037815 /nfs/dbraw/zinc/03/78/15/156037815.db2.gz FWJGQKPSUJVCNN-UHFFFAOYSA-N 2 1 292.427 2.031 20 0 CEADMP COCCC[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000363634761 156037819 /nfs/dbraw/zinc/03/78/19/156037819.db2.gz FWJGQKPSUJVCNN-UHFFFAOYSA-N 2 1 292.427 2.031 20 0 CEADMP CCCNC(=[NH2+])NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366822713 156087609 /nfs/dbraw/zinc/08/76/09/156087609.db2.gz RGYLPNGMFXZYTC-KRWDZBQOSA-N 2 1 288.439 2.423 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCCCCO)CC2)C1CC1 ZINC000367209438 156151359 /nfs/dbraw/zinc/15/13/59/156151359.db2.gz PZJCKYPCRGBVLG-HNNXBMFYSA-N 2 1 280.456 2.345 20 0 CEADMP C[N@H+]1CC[C@H](NCCC[NH+]2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000367612894 156212160 /nfs/dbraw/zinc/21/21/60/156212160.db2.gz BRERMVSOKYKDHZ-ULQDDVLXSA-N 2 1 279.472 2.325 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000367612894 156212163 /nfs/dbraw/zinc/21/21/63/156212163.db2.gz BRERMVSOKYKDHZ-ULQDDVLXSA-N 3 1 279.472 2.325 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000367612894 156212167 /nfs/dbraw/zinc/21/21/67/156212167.db2.gz BRERMVSOKYKDHZ-ULQDDVLXSA-N 3 1 279.472 2.325 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000367623307 156217807 /nfs/dbraw/zinc/21/78/07/156217807.db2.gz VPJUOJBXLVOPJW-XDNAFOTISA-N 2 1 288.435 2.357 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc2c(c1)OCO2 ZINC000368106023 156288373 /nfs/dbraw/zinc/28/83/73/156288373.db2.gz ZVXXQWAJUWAHCE-PWSUYJOCSA-N 2 1 285.347 2.347 20 0 CEADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000368603154 156374690 /nfs/dbraw/zinc/37/46/90/156374690.db2.gz MBZVOEUNSBAVCC-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP [NH3+]CCCOC1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000530214956 298052237 /nfs/dbraw/zinc/05/22/37/298052237.db2.gz ZHDPCANIMBAJIM-UHFFFAOYSA-N 2 1 283.803 2.065 20 0 CEADMP COc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1O ZINC000375504887 157105199 /nfs/dbraw/zinc/10/51/99/157105199.db2.gz FSAYBGIOBZKBKZ-UHFFFAOYSA-N 2 1 290.407 2.461 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000375783919 157146254 /nfs/dbraw/zinc/14/62/54/157146254.db2.gz GCXFEGOUYVSBSA-ZJPYXAASSA-N 2 1 288.435 2.491 20 0 CEADMP CC[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000532469310 298144829 /nfs/dbraw/zinc/14/48/29/298144829.db2.gz VATMPLFDJSXQJD-UKRRQHHQSA-N 2 1 254.418 2.002 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000013734616 162288953 /nfs/dbraw/zinc/28/89/53/162288953.db2.gz ABIQQWYPIAWJDE-UHFFFAOYSA-N 2 1 278.396 2.279 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000151117493 162303317 /nfs/dbraw/zinc/30/33/17/162303317.db2.gz WPQRUKDOCAHIIE-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000152660994 162304977 /nfs/dbraw/zinc/30/49/77/162304977.db2.gz AQWXAVBOXNEEBS-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H](CC)c2cnn(C)c2)CC1 ZINC000161590561 162327952 /nfs/dbraw/zinc/32/79/52/162327952.db2.gz MIFTWBMFSHZKER-HNNXBMFYSA-N 2 1 264.417 2.335 20 0 CEADMP C[C@@H]1C[C@H](NCc2cncc(Br)c2)CC[N@H+]1C ZINC000166915762 162354747 /nfs/dbraw/zinc/35/47/47/162354747.db2.gz CJJXGFSBHGVYOP-ZWNOBZJWSA-N 2 1 298.228 2.416 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cncc(Br)c2)CCN1C ZINC000166915762 162354750 /nfs/dbraw/zinc/35/47/50/162354750.db2.gz CJJXGFSBHGVYOP-ZWNOBZJWSA-N 2 1 298.228 2.416 20 0 CEADMP Cc1nc(C[C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)no1 ZINC000179268907 165275128 /nfs/dbraw/zinc/27/51/28/165275128.db2.gz VXRNOHUMFLKTDJ-CABCVRRESA-N 2 1 292.427 2.117 20 0 CEADMP Cc1nc(C[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)no1 ZINC000179268907 165275132 /nfs/dbraw/zinc/27/51/32/165275132.db2.gz VXRNOHUMFLKTDJ-CABCVRRESA-N 2 1 292.427 2.117 20 0 CEADMP Cc1nc(C[C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)no1 ZINC000179268907 165275138 /nfs/dbraw/zinc/27/51/38/165275138.db2.gz VXRNOHUMFLKTDJ-CABCVRRESA-N 2 1 292.427 2.117 20 0 CEADMP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cnn1C ZINC000180016369 165295316 /nfs/dbraw/zinc/29/53/16/165295316.db2.gz JVATXCWCAZUNGP-CYBMUJFWSA-N 2 1 264.417 2.255 20 0 CEADMP CCn1nccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180783693 165321698 /nfs/dbraw/zinc/32/16/98/165321698.db2.gz HWSTVPNDVKIMOV-PBHICJAKSA-N 2 1 288.439 2.352 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000181748827 165356724 /nfs/dbraw/zinc/35/67/24/165356724.db2.gz BYTFRWCIJDWWSX-OFQRWUPVSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000181748827 165356726 /nfs/dbraw/zinc/35/67/26/165356726.db2.gz BYTFRWCIJDWWSX-OFQRWUPVSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+]Cc1cncn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183102999 165383146 /nfs/dbraw/zinc/38/31/46/165383146.db2.gz LXLQKWYLLZFBEZ-UONOGXRCSA-N 2 1 276.428 2.163 20 0 CEADMP C[C@H]([NH2+]Cc1cncn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102999 165383150 /nfs/dbraw/zinc/38/31/50/165383150.db2.gz LXLQKWYLLZFBEZ-UONOGXRCSA-N 2 1 276.428 2.163 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000020129051 171016440 /nfs/dbraw/zinc/01/64/40/171016440.db2.gz HCOWITBGDCHAQT-UHFFFAOYSA-N 2 1 276.380 2.049 20 0 CEADMP CC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285631420 196350311 /nfs/dbraw/zinc/35/03/11/196350311.db2.gz RGZYSRVVMZKBDZ-MSOLQXFVSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@@H](O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285631420 196350313 /nfs/dbraw/zinc/35/03/13/196350313.db2.gz RGZYSRVVMZKBDZ-MSOLQXFVSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@@H](O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285631420 196350315 /nfs/dbraw/zinc/35/03/15/196350315.db2.gz RGZYSRVVMZKBDZ-MSOLQXFVSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000037248433 173060782 /nfs/dbraw/zinc/06/07/82/173060782.db2.gz ZUTBZTUJQIEJRU-LBPRGKRZSA-N 2 1 276.380 2.203 20 0 CEADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)[C@@H]1C[NH3+] ZINC000070177577 414767996 /nfs/dbraw/zinc/76/79/96/414767996.db2.gz HSIODKIGOAGTPK-IUODEOHRSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)[C@@H]1C[NH3+] ZINC000070177577 414768003 /nfs/dbraw/zinc/76/80/03/414768003.db2.gz HSIODKIGOAGTPK-IUODEOHRSA-N 2 1 293.386 2.214 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cccc(OC)c2OC)CC[C@@H]1[NH3+] ZINC000122383559 414789345 /nfs/dbraw/zinc/78/93/45/414789345.db2.gz QEVAYRLWBYDWEE-JSGCOSHPSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc(OC)c2OC)CC[C@@H]1[NH3+] ZINC000122383559 414789346 /nfs/dbraw/zinc/78/93/46/414789346.db2.gz QEVAYRLWBYDWEE-JSGCOSHPSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc(COC)c2)CC[C@@H]1[NH3+] ZINC000122264883 414789387 /nfs/dbraw/zinc/78/93/87/414789387.db2.gz JCULCQUJSQLJBT-HOTGVXAUSA-N 2 1 262.397 2.392 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404279818 414778206 /nfs/dbraw/zinc/77/82/06/414778206.db2.gz AAAHVZTUXAROOF-DGCLKSJQSA-N 2 1 267.442 2.443 20 0 CEADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000404400791 414784765 /nfs/dbraw/zinc/78/47/65/414784765.db2.gz QYOMVSFCIRQJRD-GDBMZVCRSA-N 2 1 289.423 2.383 20 0 CEADMP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000404400791 414784770 /nfs/dbraw/zinc/78/47/70/414784770.db2.gz QYOMVSFCIRQJRD-GDBMZVCRSA-N 2 1 289.423 2.383 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404440971 414784813 /nfs/dbraw/zinc/78/48/13/414784813.db2.gz UQSAWTGKKUUHQX-ZYHUDNBSSA-N 2 1 253.415 2.401 20 0 CEADMP C[N@H+](Cc1cccc(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC000051890009 414747555 /nfs/dbraw/zinc/74/75/55/414747555.db2.gz DMSFEDTWZNVFHU-GFCCVEGCSA-N 2 1 283.213 2.490 20 0 CEADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000660373679 414790110 /nfs/dbraw/zinc/79/01/10/414790110.db2.gz PYKYABQDJRXDDC-VXGBXAGGSA-N 2 1 284.366 2.254 20 0 CEADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660373679 414790118 /nfs/dbraw/zinc/79/01/18/414790118.db2.gz PYKYABQDJRXDDC-VXGBXAGGSA-N 2 1 284.366 2.254 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000122710870 414792114 /nfs/dbraw/zinc/79/21/14/414792114.db2.gz ZQDZVXFBUOEGST-DOMZBBRYSA-N 2 1 266.360 2.264 20 0 CEADMP CC[C@@H]1C[N@H+](CCOc2ccccc2C(C)=O)CC[C@@H]1[NH3+] ZINC000122740673 414792967 /nfs/dbraw/zinc/79/29/67/414792967.db2.gz IHHUWDKIMAHVQO-ZBFHGGJFSA-N 2 1 290.407 2.327 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOc2ccccc2C(C)=O)CC[C@@H]1[NH3+] ZINC000122740673 414792971 /nfs/dbraw/zinc/79/29/71/414792971.db2.gz IHHUWDKIMAHVQO-ZBFHGGJFSA-N 2 1 290.407 2.327 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@H]1C[NH3+] ZINC000405294865 414793096 /nfs/dbraw/zinc/79/30/96/414793096.db2.gz KGYKZJYDMHRWAH-NVXWUHKLSA-N 2 1 274.408 2.360 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000420917366 414807615 /nfs/dbraw/zinc/80/76/15/414807615.db2.gz RCESUYXVXVNXTR-FVQBIDKESA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)CCO1 ZINC000420917366 414807618 /nfs/dbraw/zinc/80/76/18/414807618.db2.gz RCESUYXVXVNXTR-FVQBIDKESA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCO1 ZINC000420917366 414807621 /nfs/dbraw/zinc/80/76/21/414807621.db2.gz RCESUYXVXVNXTR-FVQBIDKESA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657335331 414865513 /nfs/dbraw/zinc/86/55/13/414865513.db2.gz NWXMTWLCTPXPBO-OAHLLOKOSA-N 2 1 276.428 2.113 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657335331 414865520 /nfs/dbraw/zinc/86/55/20/414865520.db2.gz NWXMTWLCTPXPBO-OAHLLOKOSA-N 2 1 276.428 2.113 20 0 CEADMP COC[C@@H](C)Oc1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000657287737 414831364 /nfs/dbraw/zinc/83/13/64/414831364.db2.gz UKRIJANYTIVIBU-CQSZACIVSA-N 2 1 280.412 2.142 20 0 CEADMP CCn1nc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000307967866 414854153 /nfs/dbraw/zinc/85/41/53/414854153.db2.gz TYZGZRBAQRKVQJ-WBVHZDCISA-N 2 1 290.455 2.484 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000307967866 414854158 /nfs/dbraw/zinc/85/41/58/414854158.db2.gz TYZGZRBAQRKVQJ-WBVHZDCISA-N 2 1 290.455 2.484 20 0 CEADMP COC1(CC[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)CCC1 ZINC000310893954 414858495 /nfs/dbraw/zinc/85/84/95/414858495.db2.gz VELIGZGNHLQOTG-AWEZNQCLSA-N 2 1 254.418 2.408 20 0 CEADMP COC1(CC[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)CCC1 ZINC000310893954 414858499 /nfs/dbraw/zinc/85/84/99/414858499.db2.gz VELIGZGNHLQOTG-AWEZNQCLSA-N 2 1 254.418 2.408 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000311453178 414860260 /nfs/dbraw/zinc/86/02/60/414860260.db2.gz JUYZXHTXSIKMBO-HUUCEWRRSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000311453178 414860264 /nfs/dbraw/zinc/86/02/64/414860264.db2.gz JUYZXHTXSIKMBO-HUUCEWRRSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000311453178 414860270 /nfs/dbraw/zinc/86/02/70/414860270.db2.gz JUYZXHTXSIKMBO-HUUCEWRRSA-N 2 1 270.461 2.447 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663343704 414920773 /nfs/dbraw/zinc/92/07/73/414920773.db2.gz BUTMYRJKYPHUFH-INIZCTEOSA-N 2 1 289.423 2.302 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663343704 414920778 /nfs/dbraw/zinc/92/07/78/414920778.db2.gz BUTMYRJKYPHUFH-INIZCTEOSA-N 2 1 289.423 2.302 20 0 CEADMP CCOC1CC(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000660661370 414923616 /nfs/dbraw/zinc/92/36/16/414923616.db2.gz CRYOTGDWQZODPZ-UYSNPLJNSA-N 2 1 266.429 2.219 20 0 CEADMP CCOC1CC(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000660661370 414923620 /nfs/dbraw/zinc/92/36/20/414923620.db2.gz CRYOTGDWQZODPZ-UYSNPLJNSA-N 2 1 266.429 2.219 20 0 CEADMP CCOC1CC(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000660661370 414923622 /nfs/dbraw/zinc/92/36/22/414923622.db2.gz CRYOTGDWQZODPZ-UYSNPLJNSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000663346903 414923626 /nfs/dbraw/zinc/92/36/26/414923626.db2.gz XAGDDKMTMNMBEQ-HNNXBMFYSA-N 2 1 289.423 2.307 20 0 CEADMP Cn1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663345599 414924084 /nfs/dbraw/zinc/92/40/84/414924084.db2.gz LNGZXXNKIGSNGK-OAHLLOKOSA-N 2 1 261.413 2.237 20 0 CEADMP CCc1nn(C)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346588 414924555 /nfs/dbraw/zinc/92/45/55/414924555.db2.gz WBLZHEFVPFOEFQ-HNNXBMFYSA-N 2 1 290.455 2.194 20 0 CEADMP CCc1nn(C)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346588 414924561 /nfs/dbraw/zinc/92/45/61/414924561.db2.gz WBLZHEFVPFOEFQ-HNNXBMFYSA-N 2 1 290.455 2.194 20 0 CEADMP CC(C)OC1CC([N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000660661780 414924925 /nfs/dbraw/zinc/92/49/25/414924925.db2.gz GKIWLBSMQFXPTG-UYSNPLJNSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)OC1CC([NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000660661780 414924930 /nfs/dbraw/zinc/92/49/30/414924930.db2.gz GKIWLBSMQFXPTG-UYSNPLJNSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)OC1CC([NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000660661780 414924938 /nfs/dbraw/zinc/92/49/38/414924938.db2.gz GKIWLBSMQFXPTG-UYSNPLJNSA-N 2 1 266.429 2.360 20 0 CEADMP Cc1ncccc1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660665142 414927714 /nfs/dbraw/zinc/92/77/14/414927714.db2.gz UUXPZDRZIIZYQA-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ncccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665142 414927717 /nfs/dbraw/zinc/92/77/17/414927717.db2.gz UUXPZDRZIIZYQA-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ncccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660665142 414927722 /nfs/dbraw/zinc/92/77/22/414927722.db2.gz UUXPZDRZIIZYQA-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ncccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665142 414927725 /nfs/dbraw/zinc/92/77/25/414927725.db2.gz UUXPZDRZIIZYQA-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ncccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665142 414927729 /nfs/dbraw/zinc/92/77/29/414927729.db2.gz UUXPZDRZIIZYQA-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP c1coc(C[NH+]2CCN(c3[nH+]ccc4[nH]ccc43)CC2)c1 ZINC000663359525 414928634 /nfs/dbraw/zinc/92/86/34/414928634.db2.gz HEIXSUFFRPCIFX-UHFFFAOYSA-N 2 1 282.347 2.478 20 0 CEADMP c1[nH+]c2c(n1Cc1cccc3c1CC[NH2+]C3)CCCC2 ZINC000663378785 414935085 /nfs/dbraw/zinc/93/50/85/414935085.db2.gz FPJUUWJTNZLXSO-UHFFFAOYSA-N 2 1 267.376 2.456 20 0 CEADMP Cc1[nH]c2nc[nH+]c(NCC[C@@H]([NH3+])C(C)C)c2c1C ZINC000663275355 414901858 /nfs/dbraw/zinc/90/18/58/414901858.db2.gz GJNYLFHHQBFYJW-LLVKDONJSA-N 2 1 261.373 2.360 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657491388 414971489 /nfs/dbraw/zinc/97/14/89/414971489.db2.gz DVHPPNVZYHHKPD-OAHLLOKOSA-N 3 1 299.422 2.089 20 0 CEADMP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccnn2-c2ccncc2)C1 ZINC000657491388 414971496 /nfs/dbraw/zinc/97/14/96/414971496.db2.gz DVHPPNVZYHHKPD-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccnn2-c2ccncc2)C1 ZINC000657491388 414971499 /nfs/dbraw/zinc/97/14/99/414971499.db2.gz DVHPPNVZYHHKPD-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C/C=C/CO ZINC000657593032 415016632 /nfs/dbraw/zinc/01/66/32/415016632.db2.gz PUSWXZPJCPSDNB-BQYQJAHWSA-N 2 1 276.424 2.283 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@H]1C[C@H]1C ZINC000657596048 415017839 /nfs/dbraw/zinc/01/78/39/415017839.db2.gz LCMCUYHVGXNNCP-DTDBQYNISA-N 2 1 288.435 2.387 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCCF ZINC000663465645 414962440 /nfs/dbraw/zinc/96/24/40/414962440.db2.gz ZDSUQGVUKIAULR-WBVHZDCISA-N 2 1 294.414 2.473 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCCF ZINC000663465645 414962445 /nfs/dbraw/zinc/96/24/45/414962445.db2.gz ZDSUQGVUKIAULR-WBVHZDCISA-N 2 1 294.414 2.473 20 0 CEADMP Cc1cc(C(F)(F)F)cc(NC[C@H]2CN(C)CCO2)[nH+]1 ZINC000663478925 414967217 /nfs/dbraw/zinc/96/72/17/414967217.db2.gz ADYPZZUDFMSJCM-NSHDSACASA-N 2 1 289.301 2.151 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000663495242 414969143 /nfs/dbraw/zinc/96/91/43/414969143.db2.gz WICLTZDQPNRORZ-DOTOQJQBSA-N 3 1 275.440 2.083 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000653604570 415050519 /nfs/dbraw/zinc/05/05/19/415050519.db2.gz STMKMPUPFJHGJJ-GDBMZVCRSA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000653604570 415050525 /nfs/dbraw/zinc/05/05/25/415050525.db2.gz STMKMPUPFJHGJJ-GDBMZVCRSA-N 2 1 264.413 2.267 20 0 CEADMP CC(C)(C)CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653644923 415063676 /nfs/dbraw/zinc/06/36/76/415063676.db2.gz XBXLJTFCZFIYLL-UHFFFAOYSA-N 2 1 250.390 2.358 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)c1ccccc1 ZINC000653664597 415069384 /nfs/dbraw/zinc/06/93/84/415069384.db2.gz JLQZSZPHFKNLRZ-OAHLLOKOSA-N 2 1 264.413 2.166 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)c1ccccc1 ZINC000653664597 415069388 /nfs/dbraw/zinc/06/93/88/415069388.db2.gz JLQZSZPHFKNLRZ-OAHLLOKOSA-N 2 1 264.413 2.166 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)(C)c1ccccc1 ZINC000653664597 415069392 /nfs/dbraw/zinc/06/93/92/415069392.db2.gz JLQZSZPHFKNLRZ-OAHLLOKOSA-N 2 1 264.413 2.166 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)(C)c1ccccc1 ZINC000653664597 415069397 /nfs/dbraw/zinc/06/93/97/415069397.db2.gz JLQZSZPHFKNLRZ-OAHLLOKOSA-N 2 1 264.413 2.166 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000657769136 415074643 /nfs/dbraw/zinc/07/46/43/415074643.db2.gz WIEZFRZBAWJYMK-ARFHVFGLSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)OCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657787061 415078929 /nfs/dbraw/zinc/07/89/29/415078929.db2.gz QXPGRMMWKKWYIQ-HZSPNIEDSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)CCO2 ZINC000660903731 415029830 /nfs/dbraw/zinc/02/98/30/415029830.db2.gz KGQZPUBJUNAUOB-OWCLPIDISA-N 2 1 278.440 2.219 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CCC(C)C ZINC000653571049 415039558 /nfs/dbraw/zinc/03/95/58/415039558.db2.gz RQVIPFXRDDBLEJ-HUUCEWRRSA-N 2 1 256.434 2.200 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCn2nccc21)C[NH+]1CCCCC1 ZINC000657845397 415101885 /nfs/dbraw/zinc/10/18/85/415101885.db2.gz WEPXPBIBHLXESR-HUUCEWRRSA-N 2 1 276.428 2.430 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC2(CC2(F)F)CC1 ZINC000653778949 415103316 /nfs/dbraw/zinc/10/33/16/415103316.db2.gz KFYVQVAPHHDBDQ-UHFFFAOYSA-N 2 1 269.339 2.474 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657870258 415109525 /nfs/dbraw/zinc/10/95/25/415109525.db2.gz CYMGVWHPAZVPRO-LSDHHAIUSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657870258 415109526 /nfs/dbraw/zinc/10/95/26/415109526.db2.gz CYMGVWHPAZVPRO-LSDHHAIUSA-N 2 1 276.428 2.428 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC(CF)(CF)C2)CCCO1 ZINC000657992243 415147245 /nfs/dbraw/zinc/14/72/45/415147245.db2.gz FEDKKSDMIOOTKH-CYBMUJFWSA-N 2 1 290.398 2.165 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC(CF)(CF)C2)CCCO1 ZINC000657992243 415147250 /nfs/dbraw/zinc/14/72/50/415147250.db2.gz FEDKKSDMIOOTKH-CYBMUJFWSA-N 2 1 290.398 2.165 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC(CF)(CF)C2)C1 ZINC000658035594 415168159 /nfs/dbraw/zinc/16/81/59/415168159.db2.gz PAFSNVXPQLRURB-GFCCVEGCSA-N 2 1 260.372 2.396 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccn1 ZINC000658066467 415187065 /nfs/dbraw/zinc/18/70/65/415187065.db2.gz LXAFOXGPPJGKNQ-GDBMZVCRSA-N 2 1 289.423 2.028 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC000658094617 415207864 /nfs/dbraw/zinc/20/78/64/415207864.db2.gz ZFWCKPBHTJYRAC-KFWWJZLASA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC000658094617 415207869 /nfs/dbraw/zinc/20/78/69/415207869.db2.gz ZFWCKPBHTJYRAC-KFWWJZLASA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC000658094617 415207873 /nfs/dbraw/zinc/20/78/73/415207873.db2.gz ZFWCKPBHTJYRAC-KFWWJZLASA-N 2 1 267.461 2.179 20 0 CEADMP C[NH+](C)CCC[N@H+](C)CCNc1nccc2occc21 ZINC000664247611 415242838 /nfs/dbraw/zinc/24/28/38/415242838.db2.gz DFDADUXDTUCQRV-UHFFFAOYSA-N 2 1 276.384 2.123 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)CCNc1nccc2occc21 ZINC000664247611 415242845 /nfs/dbraw/zinc/24/28/45/415242845.db2.gz DFDADUXDTUCQRV-UHFFFAOYSA-N 2 1 276.384 2.123 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661490850 415289417 /nfs/dbraw/zinc/28/94/17/415289417.db2.gz FTWKRRYEMRNWRH-GJZGRUSLSA-N 2 1 256.434 2.201 20 0 CEADMP C1=C(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000658291450 415299623 /nfs/dbraw/zinc/29/96/23/415299623.db2.gz PHWCSXOYYMEVIO-INIZCTEOSA-N 2 1 264.413 2.330 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)[C@@H](C)C1 ZINC000658323359 415317484 /nfs/dbraw/zinc/31/74/84/415317484.db2.gz PRESFVCUVOGKHW-QWHCGFSZSA-N 2 1 290.398 2.247 20 0 CEADMP Cc1[nH]ncc1[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355770 415337989 /nfs/dbraw/zinc/33/79/89/415337989.db2.gz KKRMNDGAVTXGJD-LBPRGKRZSA-N 2 1 276.428 2.491 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000659025110 415394045 /nfs/dbraw/zinc/39/40/45/415394045.db2.gz NKRVPCIGJYJZMP-CQSZACIVSA-N 2 1 290.411 2.060 20 0 CEADMP C(CC1CCCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655696439 415395341 /nfs/dbraw/zinc/39/53/41/415395341.db2.gz PMKDUBVKORWTNM-INIZCTEOSA-N 2 1 266.429 2.410 20 0 CEADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C1CC1)C1CC1 ZINC000655718188 415408063 /nfs/dbraw/zinc/40/80/63/415408063.db2.gz LBXJVOHTZIWYRJ-INIZCTEOSA-N 2 1 278.440 2.266 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCn2ccnc21 ZINC000655716611 415408797 /nfs/dbraw/zinc/40/87/97/415408797.db2.gz ZFLKWQWQNRJMTQ-CQSZACIVSA-N 2 1 273.384 2.293 20 0 CEADMP CCC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655730478 415419930 /nfs/dbraw/zinc/41/99/30/415419930.db2.gz KCHRAXXWCPZBSY-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661838949 415491105 /nfs/dbraw/zinc/49/11/05/415491105.db2.gz IIXMNROGQQNGHM-QLFBSQMISA-N 2 1 298.471 2.015 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661838945 415491557 /nfs/dbraw/zinc/49/15/57/415491557.db2.gz IIXMNROGQQNGHM-KFWWJZLASA-N 2 1 298.471 2.015 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC[NH+]2CCC2)o1 ZINC000655754028 415434617 /nfs/dbraw/zinc/43/46/17/415434617.db2.gz JSNAWGJDRGFOMF-UHFFFAOYSA-N 2 1 288.395 2.174 20 0 CEADMP FC1(F)CCC[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655771724 415452190 /nfs/dbraw/zinc/45/21/90/415452190.db2.gz CWRQVZJLVKPTOW-OCCSQVGLSA-N 2 1 288.382 2.265 20 0 CEADMP c1ccc2c(CC[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)noc2c1 ZINC000655938034 415555321 /nfs/dbraw/zinc/55/53/21/415555321.db2.gz JOGCEWWLQWTHSX-MRXNPFEDSA-N 2 1 271.364 2.056 20 0 CEADMP c1ccc2c(CC[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)noc2c1 ZINC000655938034 415555329 /nfs/dbraw/zinc/55/53/29/415555329.db2.gz JOGCEWWLQWTHSX-MRXNPFEDSA-N 2 1 271.364 2.056 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCCc2c(F)cccc2F)C1 ZINC000655937286 415557281 /nfs/dbraw/zinc/55/72/81/415557281.db2.gz ZBCZLVXBKZSXFA-NSHDSACASA-N 2 1 254.324 2.178 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000665251096 415651031 /nfs/dbraw/zinc/65/10/31/415651031.db2.gz HEKNACLTSCUGHS-VDHUWJSZSA-N 2 1 287.451 2.204 20 0 CEADMP Cc1ccc2[nH]c(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)nc2c1 ZINC000656193041 415625769 /nfs/dbraw/zinc/62/57/69/415625769.db2.gz JWPRZDNZRFSVQT-RYUDHWBXSA-N 2 1 258.369 2.231 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)[nH]c2c1 ZINC000656193041 415625774 /nfs/dbraw/zinc/62/57/74/415625774.db2.gz JWPRZDNZRFSVQT-RYUDHWBXSA-N 2 1 258.369 2.231 20 0 CEADMP COC[C@H](CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)OC ZINC000665234491 415635584 /nfs/dbraw/zinc/63/55/84/415635584.db2.gz DKEYCGUOWCKGIP-IXDOHACOSA-N 2 1 292.423 2.121 20 0 CEADMP C[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)C1C[NH2+]C1 ZINC000665237638 415638292 /nfs/dbraw/zinc/63/82/92/415638292.db2.gz GEBCWJXSKZYZQC-SKDRFNHKSA-N 2 1 280.334 2.074 20 0 CEADMP Cc1ccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(C)c1 ZINC000662148974 415657034 /nfs/dbraw/zinc/65/70/34/415657034.db2.gz MHHKNKMARPQMIJ-GOSISDBHSA-N 2 1 288.435 2.334 20 0 CEADMP Cc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C)c1 ZINC000662148974 415657038 /nfs/dbraw/zinc/65/70/38/415657038.db2.gz MHHKNKMARPQMIJ-GOSISDBHSA-N 2 1 288.435 2.334 20 0 CEADMP Cc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(C)c1 ZINC000662148974 415657045 /nfs/dbraw/zinc/65/70/45/415657045.db2.gz MHHKNKMARPQMIJ-GOSISDBHSA-N 2 1 288.435 2.334 20 0 CEADMP C[C@@H]1CCCC[C@H]1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662147300 415657760 /nfs/dbraw/zinc/65/77/60/415657760.db2.gz DKBFGONIEMLITL-HLLBOEOZSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1CC1CCC1)C1CC1 ZINC000662155949 415662768 /nfs/dbraw/zinc/66/27/68/415662768.db2.gz IXCFQDJVUDKEON-SJORKVTESA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1CC1CCC1)C1CC1 ZINC000662155949 415662769 /nfs/dbraw/zinc/66/27/69/415662769.db2.gz IXCFQDJVUDKEON-SJORKVTESA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@@H]1CC1CCC1)C1CC1 ZINC000662155949 415662773 /nfs/dbraw/zinc/66/27/73/415662773.db2.gz IXCFQDJVUDKEON-SJORKVTESA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@@H]1CC1CCC1)C1CC1 ZINC000662155949 415662778 /nfs/dbraw/zinc/66/27/78/415662778.db2.gz IXCFQDJVUDKEON-SJORKVTESA-N 2 1 280.456 2.486 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000665273646 415665216 /nfs/dbraw/zinc/66/52/16/415665216.db2.gz APRZAXJZTYCYSD-PVAVHDDUSA-N 2 1 275.440 2.019 20 0 CEADMP Cc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662161340 415665479 /nfs/dbraw/zinc/66/54/79/415665479.db2.gz SGMNHYBCUCWJFY-KRWDZBQOSA-N 2 1 274.408 2.026 20 0 CEADMP Cc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662161340 415665481 /nfs/dbraw/zinc/66/54/81/415665481.db2.gz SGMNHYBCUCWJFY-KRWDZBQOSA-N 2 1 274.408 2.026 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NCC[NH+]1CCCCC1 ZINC000662174417 415672524 /nfs/dbraw/zinc/67/25/24/415672524.db2.gz AFGXFZCSMRNCAA-UHFFFAOYSA-N 2 1 255.450 2.182 20 0 CEADMP CO[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283966 415672611 /nfs/dbraw/zinc/67/26/11/415672611.db2.gz XWUIIZQGUYXFKQ-QEJZJMRPSA-N 2 1 254.418 2.312 20 0 CEADMP CCOCCC[N@H+]1CC[C@H](NCC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000665280973 415673231 /nfs/dbraw/zinc/67/32/31/415673231.db2.gz QVWMKQBSISLYOS-BBWFWOEESA-N 2 1 299.503 2.086 20 0 CEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000665280973 415673239 /nfs/dbraw/zinc/67/32/39/415673239.db2.gz QVWMKQBSISLYOS-BBWFWOEESA-N 3 1 299.503 2.086 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000665280973 415673244 /nfs/dbraw/zinc/67/32/44/415673244.db2.gz QVWMKQBSISLYOS-BBWFWOEESA-N 3 1 299.503 2.086 20 0 CEADMP CCc1ccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)s1 ZINC000665290505 415680271 /nfs/dbraw/zinc/68/02/71/415680271.db2.gz BQBYXUJXJYVOMU-SECBINFHSA-N 2 1 292.408 2.116 20 0 CEADMP CCC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1 ZINC000665289187 415680918 /nfs/dbraw/zinc/68/09/18/415680918.db2.gz INFQMWGATDQHMA-AWEZNQCLSA-N 2 1 286.379 2.272 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2scnc2C)CC1 ZINC000071212341 176084057 /nfs/dbraw/zinc/08/40/57/176084057.db2.gz KNSAQETUJUWPQZ-UHFFFAOYSA-N 2 1 253.415 2.416 20 0 CEADMP COc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)sn1 ZINC000659843211 415725727 /nfs/dbraw/zinc/72/57/27/415725727.db2.gz NGMTVPPLJFUCOH-UHFFFAOYSA-N 2 1 295.452 2.460 20 0 CEADMP Clc1cccc2c1CC[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662257027 415725946 /nfs/dbraw/zinc/72/59/46/415725946.db2.gz LPAGLGRXOUJURB-ZDUSSCGKSA-N 2 1 292.810 2.219 20 0 CEADMP Clc1cccc2c1CC[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662257027 415725952 /nfs/dbraw/zinc/72/59/52/415725952.db2.gz LPAGLGRXOUJURB-ZDUSSCGKSA-N 2 1 292.810 2.219 20 0 CEADMP c1c(C[NH2+]C2CCCCC2)nnn1-c1cc[nH+]cc1 ZINC000656440383 415702863 /nfs/dbraw/zinc/70/28/63/415702863.db2.gz FOOGDKPGNYSLCO-UHFFFAOYSA-N 2 1 257.341 2.085 20 0 CEADMP Clc1cccc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000656451878 415709039 /nfs/dbraw/zinc/70/90/39/415709039.db2.gz CIJRWUVYGHSFCC-BETUJISGSA-N 2 1 250.773 2.034 20 0 CEADMP Clc1cccc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000656451878 415709041 /nfs/dbraw/zinc/70/90/41/415709041.db2.gz CIJRWUVYGHSFCC-BETUJISGSA-N 2 1 250.773 2.034 20 0 CEADMP c1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248420 415710393 /nfs/dbraw/zinc/71/03/93/415710393.db2.gz AXKIRVNTUVHEFC-HZPDHXFCSA-N 2 1 272.392 2.345 20 0 CEADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCc2ccccc21 ZINC000662248430 415710407 /nfs/dbraw/zinc/71/04/07/415710407.db2.gz BCGBAAKATNFWKY-HOCLYGCPSA-N 2 1 272.392 2.127 20 0 CEADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249721 415711065 /nfs/dbraw/zinc/71/10/65/415711065.db2.gz YREJWCKLQRDEPP-DOMZBBRYSA-N 2 1 278.371 2.340 20 0 CEADMP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000662275157 415742087 /nfs/dbraw/zinc/74/20/87/415742087.db2.gz TUUNZWLMBJKTJL-ARFHVFGLSA-N 2 1 266.429 2.408 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000662275157 415742092 /nfs/dbraw/zinc/74/20/92/415742092.db2.gz TUUNZWLMBJKTJL-ARFHVFGLSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662280070 415745015 /nfs/dbraw/zinc/74/50/15/415745015.db2.gz XQAUDORELYOXJN-LBPRGKRZSA-N 2 1 298.789 2.432 20 0 CEADMP c1ccc2c(c1)[nH]c1c2C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662299129 415761639 /nfs/dbraw/zinc/76/16/39/415761639.db2.gz LAHHQYQXQCGFQF-ZDUSSCGKSA-N 2 1 297.402 2.047 20 0 CEADMP c1ccc2c(c1)[nH]c1c2C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662299129 415761643 /nfs/dbraw/zinc/76/16/43/415761643.db2.gz LAHHQYQXQCGFQF-ZDUSSCGKSA-N 2 1 297.402 2.047 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[NH2+][C@H](c1ccccc1F)C(C)C ZINC000662302274 415764929 /nfs/dbraw/zinc/76/49/29/415764929.db2.gz LRBOOZAEEAJKCM-LSDHHAIUSA-N 2 1 268.376 2.083 20 0 CEADMP c1cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c2c(c1)C[NH2+]CC2 ZINC000662315365 415775095 /nfs/dbraw/zinc/77/50/95/415775095.db2.gz MTRLKUYLHCLPTL-GOSISDBHSA-N 2 1 286.419 2.335 20 0 CEADMP Cc1cnn(CC[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662315598 415775519 /nfs/dbraw/zinc/77/55/19/415775519.db2.gz HYGIKYDORSMOKX-HUUCEWRRSA-N 2 1 264.417 2.031 20 0 CEADMP CC[N@@H+](CCOc1ccccc1OC)CC[C@@H]1CC[NH2+]C1 ZINC000662320202 415777232 /nfs/dbraw/zinc/77/72/32/415777232.db2.gz AMZMETHLNFTDNY-HNNXBMFYSA-N 2 1 292.423 2.396 20 0 CEADMP C[C@H](c1cnccn1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292212 415754996 /nfs/dbraw/zinc/75/49/96/415754996.db2.gz CCQRCIRLNSOMQE-UKRRQHHQSA-N 2 1 274.412 2.249 20 0 CEADMP FC1(F)C[C@H]1OCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292697 415755773 /nfs/dbraw/zinc/75/57/73/415755773.db2.gz HRPPXTANPYCCMC-UONOGXRCSA-N 2 1 288.382 2.122 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(C)(C)C ZINC000659879990 415757871 /nfs/dbraw/zinc/75/78/71/415757871.db2.gz FYMYOZYXFVGHJA-ZIAGYGMSSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000659879990 415757878 /nfs/dbraw/zinc/75/78/78/415757878.db2.gz FYMYOZYXFVGHJA-ZIAGYGMSSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000659879990 415757887 /nfs/dbraw/zinc/75/78/87/415757887.db2.gz FYMYOZYXFVGHJA-ZIAGYGMSSA-N 2 1 256.434 2.198 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662294236 415758044 /nfs/dbraw/zinc/75/80/44/415758044.db2.gz QBMUHPGFZBCAIG-MRXNPFEDSA-N 3 1 290.455 2.064 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](OC)C2CCCC2)C1 ZINC000659990248 415833407 /nfs/dbraw/zinc/83/34/07/415833407.db2.gz ZGAGUKKRWUYPAS-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCCC2)C1 ZINC000659990248 415833410 /nfs/dbraw/zinc/83/34/10/415833410.db2.gz ZGAGUKKRWUYPAS-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H](CC(F)(F)F)O1 ZINC000662326110 415782906 /nfs/dbraw/zinc/78/29/06/415782906.db2.gz NWXLNXFWFFUDKX-YPMHNXCESA-N 2 1 294.361 2.418 20 0 CEADMP C[C@@]1(C(F)F)C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000662335272 415786991 /nfs/dbraw/zinc/78/69/91/415786991.db2.gz JJIPRBZMKFHOLT-AWEZNQCLSA-N 2 1 276.371 2.122 20 0 CEADMP CC1(C)C[C@@H]([N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CO1 ZINC000659957397 415806583 /nfs/dbraw/zinc/80/65/83/415806583.db2.gz RDLRWSXYVVPMEB-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccc(OC)cc1 ZINC000656689715 415813020 /nfs/dbraw/zinc/81/30/20/415813020.db2.gz BGDHUQWTAHBKSM-DOTOQJQBSA-N 2 1 294.439 2.437 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccc(OC)cc1 ZINC000656689715 415813026 /nfs/dbraw/zinc/81/30/26/415813026.db2.gz BGDHUQWTAHBKSM-DOTOQJQBSA-N 2 1 294.439 2.437 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659976075 415818816 /nfs/dbraw/zinc/81/88/16/415818816.db2.gz QBEVFEZJAKUVFP-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659976076 415819968 /nfs/dbraw/zinc/81/99/68/415819968.db2.gz QBEVFEZJAKUVFP-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662681709 415928933 /nfs/dbraw/zinc/92/89/33/415928933.db2.gz BXVAOGNOFFYPPW-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP CO[C@H](C[N@H+](C)CCCn1cc[nH+]c1C)C1CCC1 ZINC000660117156 415888423 /nfs/dbraw/zinc/88/84/23/415888423.db2.gz MUTJYJYRFPJCMV-OAHLLOKOSA-N 2 1 265.401 2.329 20 0 CEADMP CO[C@H](C[N@@H+](C)CCCn1cc[nH+]c1C)C1CCC1 ZINC000660117156 415888427 /nfs/dbraw/zinc/88/84/27/415888427.db2.gz MUTJYJYRFPJCMV-OAHLLOKOSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCCN(C)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000660117958 415890970 /nfs/dbraw/zinc/89/09/70/415890970.db2.gz QKGYUGHLMDACLK-HOTGVXAUSA-N 2 1 292.471 2.491 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662682978 415930278 /nfs/dbraw/zinc/93/02/78/415930278.db2.gz MFRMWDCBEWPCIC-CABCVRRESA-N 2 1 295.471 2.003 20 0 CEADMP Clc1ccccc1N1CC[C@@H](C[NH2+][C@H]2CC[NH2+]C2)C1 ZINC000656787876 415860736 /nfs/dbraw/zinc/86/07/36/415860736.db2.gz XZAZRTGZHAWFOO-STQMWFEESA-N 2 1 279.815 2.118 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccn1 ZINC000656785581 415862441 /nfs/dbraw/zinc/86/24/41/415862441.db2.gz MJPJTMAMNNRGIZ-INIZCTEOSA-N 2 1 259.397 2.293 20 0 CEADMP c1csc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000656785942 415862674 /nfs/dbraw/zinc/86/26/74/415862674.db2.gz NPDQVGKERJJJOG-CYBMUJFWSA-N 2 1 265.426 2.355 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000656791147 415865052 /nfs/dbraw/zinc/86/50/52/415865052.db2.gz DMDDYLBCMMOKAD-JKSUJKDBSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CC2([NH3+])CC2)cc1 ZINC000662750586 415952038 /nfs/dbraw/zinc/95/20/38/415952038.db2.gz OLGMYOKYWTYWIS-LBPRGKRZSA-N 2 1 298.390 2.239 20 0 CEADMP C[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566855000 299026856 /nfs/dbraw/zinc/02/68/56/299026856.db2.gz HWPHBXXBYUZHJE-HOCLYGCPSA-N 2 1 274.408 2.154 20 0 CEADMP C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566855000 299026858 /nfs/dbraw/zinc/02/68/58/299026858.db2.gz HWPHBXXBYUZHJE-HOCLYGCPSA-N 2 1 274.408 2.154 20 0 CEADMP CCn1cncc1CN[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000417921374 227177931 /nfs/dbraw/zinc/17/79/31/227177931.db2.gz FABFEDFCCGQXRY-CZUORRHYSA-N 2 1 298.390 2.187 20 0 CEADMP CCn1cncc1C[NH2+]CCN1[C@H](C)CCC[C@@H]1C ZINC000417923635 227182909 /nfs/dbraw/zinc/18/29/09/227182909.db2.gz VPDRRRGUADPTOQ-OKILXGFUSA-N 2 1 264.417 2.256 20 0 CEADMP Cc1cc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)n(C)n1 ZINC000417929796 227211722 /nfs/dbraw/zinc/21/17/22/227211722.db2.gz JAWFLELTCFJBOF-AWEZNQCLSA-N 2 1 266.433 2.185 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1nc2c(s1)CCCC2 ZINC000666744096 419411761 /nfs/dbraw/zinc/41/17/61/419411761.db2.gz UZUJHEFUYVUAAT-MNOVXSKESA-N 2 1 265.426 2.239 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000666886284 419459405 /nfs/dbraw/zinc/45/94/05/419459405.db2.gz IWWHXWGLXMIYQT-YDHLFZDLSA-N 2 1 260.381 2.283 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000665855366 419462828 /nfs/dbraw/zinc/46/28/28/419462828.db2.gz PFMYNUOAENYKBK-AWEZNQCLSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000666172154 419563556 /nfs/dbraw/zinc/56/35/56/419563556.db2.gz JJRMSOGEPXTERN-HUUCEWRRSA-N 3 1 267.461 2.038 20 0 CEADMP Cc1ncsc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996947 419506934 /nfs/dbraw/zinc/50/69/34/419506934.db2.gz NJGMPNMGGBWSIM-NSHDSACASA-N 2 1 251.399 2.216 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998526 419507199 /nfs/dbraw/zinc/50/71/99/419507199.db2.gz ZHFQFSSLBWBXRP-ZDUSSCGKSA-N 2 1 276.428 2.472 20 0 CEADMP Cc1cccn2c(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cnc12 ZINC000666997166 419507665 /nfs/dbraw/zinc/50/76/65/419507665.db2.gz ZZNDYCZTJFQYCE-AWEZNQCLSA-N 2 1 284.407 2.407 20 0 CEADMP Cc1cccn2c(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cnc12 ZINC000666997167 419507893 /nfs/dbraw/zinc/50/78/93/419507893.db2.gz ZZNDYCZTJFQYCE-CQSZACIVSA-N 2 1 284.407 2.407 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@@H]2c2ccccn2)n1C ZINC000667508144 419699335 /nfs/dbraw/zinc/69/93/35/419699335.db2.gz UMKYWZQMMSBSBN-OAHLLOKOSA-N 2 1 256.353 2.461 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@@H]2c2ccccn2)n1C ZINC000667508144 419699343 /nfs/dbraw/zinc/69/93/43/419699343.db2.gz UMKYWZQMMSBSBN-OAHLLOKOSA-N 2 1 256.353 2.461 20 0 CEADMP CC[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667698125 419771481 /nfs/dbraw/zinc/77/14/81/419771481.db2.gz YTVIECBYCNPNGP-ZDUSSCGKSA-N 2 1 256.353 2.499 20 0 CEADMP CC[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667698125 419771483 /nfs/dbraw/zinc/77/14/83/419771483.db2.gz YTVIECBYCNPNGP-ZDUSSCGKSA-N 2 1 256.353 2.499 20 0 CEADMP CO[C@H]1C[C@@H]([N@H+](C)CCCc2c[nH+]cn2C)C12CCC2 ZINC000521062981 260341279 /nfs/dbraw/zinc/34/12/79/260341279.db2.gz FRQZWQQOMSEJCF-CABCVRRESA-N 2 1 277.412 2.242 20 0 CEADMP CO[C@H]1C[C@@H]([N@@H+](C)CCCc2c[nH+]cn2C)C12CCC2 ZINC000521062981 260341280 /nfs/dbraw/zinc/34/12/80/260341280.db2.gz FRQZWQQOMSEJCF-CABCVRRESA-N 2 1 277.412 2.242 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427120788 260554060 /nfs/dbraw/zinc/55/40/60/260554060.db2.gz VAOSAMKWDBESSV-KMFMINBZSA-N 2 1 274.408 2.483 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])cn1 ZINC000414774109 263043693 /nfs/dbraw/zinc/04/36/93/263043693.db2.gz YFXPEONDGCHTBZ-BBRMVZONSA-N 2 1 261.413 2.382 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])cn1 ZINC000414774109 263043694 /nfs/dbraw/zinc/04/36/94/263043694.db2.gz YFXPEONDGCHTBZ-BBRMVZONSA-N 2 1 261.413 2.382 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(CC)COC2)[C@@H](C)C1 ZINC000453347224 263245517 /nfs/dbraw/zinc/24/55/17/263245517.db2.gz FFERAFAIHAIPMY-JKSUJKDBSA-N 2 1 298.471 2.140 20 0 CEADMP CC(C)OCCOC1CC[NH+]([C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000453361042 263249147 /nfs/dbraw/zinc/24/91/47/263249147.db2.gz NFEAINITOGDDIM-HZPDHXFCSA-N 2 1 298.471 2.375 20 0 CEADMP CC(C)OCCOC1CC[NH+]([C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000453361042 263249148 /nfs/dbraw/zinc/24/91/48/263249148.db2.gz NFEAINITOGDDIM-HZPDHXFCSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)[C@H]2CCCC[C@@H]2C)C1 ZINC000430549714 263255173 /nfs/dbraw/zinc/25/51/73/263255173.db2.gz JDFTYUKWWCCURY-JONQDZQNSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@H]2CCCC[C@@H]2C)C1 ZINC000430549714 263255175 /nfs/dbraw/zinc/25/51/75/263255175.db2.gz JDFTYUKWWCCURY-JONQDZQNSA-N 2 1 295.471 2.083 20 0 CEADMP CS[C@H]1CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000425340376 264007560 /nfs/dbraw/zinc/00/75/60/264007560.db2.gz DYBKTZIBUHHXNU-STQMWFEESA-N 2 1 253.415 2.455 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CC2)[C@H](C)C1 ZINC000425415863 264293050 /nfs/dbraw/zinc/29/30/50/264293050.db2.gz KNJHLBIKTKHXDS-VHDGCEQUSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)C2CC2)[C@H](C)C1 ZINC000425415863 264293051 /nfs/dbraw/zinc/29/30/51/264293051.db2.gz KNJHLBIKTKHXDS-VHDGCEQUSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)C2CC2)[C@H](C)C1 ZINC000425415863 264293052 /nfs/dbraw/zinc/29/30/52/264293052.db2.gz KNJHLBIKTKHXDS-VHDGCEQUSA-N 2 1 254.418 2.074 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000221983206 264581002 /nfs/dbraw/zinc/58/10/02/264581002.db2.gz SQFCATANAPWUFZ-RBSFLKMASA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000221983206 264581005 /nfs/dbraw/zinc/58/10/05/264581005.db2.gz SQFCATANAPWUFZ-RBSFLKMASA-N 2 1 265.445 2.076 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000044533437 270229605 /nfs/dbraw/zinc/22/96/05/270229605.db2.gz WBOLPCQCYKZHOU-AWEZNQCLSA-N 2 1 290.407 2.279 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000044533437 270229606 /nfs/dbraw/zinc/22/96/06/270229606.db2.gz WBOLPCQCYKZHOU-AWEZNQCLSA-N 2 1 290.407 2.279 20 0 CEADMP CCCN1CCC([NH2+]CC2CC[NH+](CC)CC2)CC1 ZINC000044517362 270229749 /nfs/dbraw/zinc/22/97/49/270229749.db2.gz SRSIWIGAGPOKSD-UHFFFAOYSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@H](CCC1CC1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000186270049 270249087 /nfs/dbraw/zinc/24/90/87/270249087.db2.gz SHONXDOOENULPJ-CYBMUJFWSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+]1C[C@H]2CN(Cc3cc(-c4ccccc4)n[nH]3)C[C@H]2C1 ZINC000194542447 270300741 /nfs/dbraw/zinc/30/07/41/270300741.db2.gz CXUUOIYDHHLJGW-GASCZTMLSA-N 2 1 282.391 2.070 20 0 CEADMP C[C@H]1CN(C[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000396453473 270349803 /nfs/dbraw/zinc/34/98/03/270349803.db2.gz SIYBKZLKUKKETC-WMZOPIPTSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000397411521 270354203 /nfs/dbraw/zinc/35/42/03/270354203.db2.gz WAOQZCWHINAVGC-ILXRZTDVSA-N 2 1 262.397 2.371 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2nc(-c3ccccc3F)no2)CC1 ZINC000420272468 270500907 /nfs/dbraw/zinc/50/09/07/270500907.db2.gz MDHYQJNZTYTUIL-UHFFFAOYSA-N 2 1 290.342 2.046 20 0 CEADMP COC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000420423220 270538259 /nfs/dbraw/zinc/53/82/59/270538259.db2.gz ZZFLOJRVQUKOHN-NHYWBVRUSA-N 2 1 284.350 2.242 20 0 CEADMP C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423069278 270826705 /nfs/dbraw/zinc/82/67/05/270826705.db2.gz DMRHBZLBBNIQFS-QEJZJMRPSA-N 2 1 254.418 2.048 20 0 CEADMP CC[C@H]([NH2+]C[C@](C)(CO)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423080532 270831243 /nfs/dbraw/zinc/83/12/43/270831243.db2.gz SRUSLZUBRVGLHR-OKZBNKHCSA-N 2 1 290.451 2.348 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423098105 270835070 /nfs/dbraw/zinc/83/50/70/270835070.db2.gz KFQQGUPBVIJKPM-ZJUUUORDSA-N 2 1 291.317 2.238 20 0 CEADMP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423159278 270854985 /nfs/dbraw/zinc/85/49/85/270854985.db2.gz XTRBYGGATYWWGF-XJFOESAGSA-N 2 1 288.382 2.169 20 0 CEADMP c1ccc(CN2CC[C@H]3C[N@H+](CC[C@H]4CC[NH2+]C4)C[C@H]32)cc1 ZINC000424333290 271047447 /nfs/dbraw/zinc/04/74/47/271047447.db2.gz MDJABWQRGHMBLJ-NZSAHSFTSA-N 2 1 299.462 2.192 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424430777 271055400 /nfs/dbraw/zinc/05/54/00/271055400.db2.gz DDSZLSWCXUUAHM-CYBMUJFWSA-N 2 1 292.427 2.306 20 0 CEADMP CC(C)OC1CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000428259019 271251308 /nfs/dbraw/zinc/25/13/08/271251308.db2.gz HTLWIMYTTHBBNM-CVSAEHQPSA-N 2 1 252.402 2.159 20 0 CEADMP CC(C)OC1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000428259019 271251310 /nfs/dbraw/zinc/25/13/10/271251310.db2.gz HTLWIMYTTHBBNM-CVSAEHQPSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H]1C[C@H]1[N@H+]1CCN(CC[NH+]2CCC(C)CC2)C[C@@H](C)C1 ZINC000428999577 271305105 /nfs/dbraw/zinc/30/51/05/271305105.db2.gz SHQAKJADBBEZLZ-FGTMMUONSA-N 2 1 293.499 2.380 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc1 ZINC000429336425 271323587 /nfs/dbraw/zinc/32/35/87/271323587.db2.gz RGCLGLGLXWCVAV-AWEZNQCLSA-N 2 1 291.439 2.338 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429323302 271323716 /nfs/dbraw/zinc/32/37/16/271323716.db2.gz UWKNDTDJEZYLRR-HUUCEWRRSA-N 2 1 274.408 2.323 20 0 CEADMP OC[C@H](CC(F)F)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000429451231 271332431 /nfs/dbraw/zinc/33/24/31/271332431.db2.gz LCLZQLNWUCOSJX-HNNXBMFYSA-N 2 1 298.377 2.257 20 0 CEADMP C[NH+](C)C1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000429716706 271341834 /nfs/dbraw/zinc/34/18/34/271341834.db2.gz KLIWIWSGTVYLQY-UHFFFAOYSA-N 2 1 275.440 2.144 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000430560938 271389765 /nfs/dbraw/zinc/38/97/65/271389765.db2.gz JAMQGMKUOXXTJD-ZJIFWQFVSA-N 2 1 297.487 2.375 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000430560938 271389768 /nfs/dbraw/zinc/38/97/68/271389768.db2.gz JAMQGMKUOXXTJD-ZJIFWQFVSA-N 2 1 297.487 2.375 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430565901 271392021 /nfs/dbraw/zinc/39/20/21/271392021.db2.gz BKSARBYKHUZLRC-KGLIPLIRSA-N 2 1 256.434 2.498 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@](C)(C[NH3+])C(C)C)c1 ZINC000430565268 271392275 /nfs/dbraw/zinc/39/22/75/271392275.db2.gz FDNWRINULJJOSM-OAHLLOKOSA-N 2 1 263.385 2.108 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000346093376 274049525 /nfs/dbraw/zinc/04/95/25/274049525.db2.gz HPMFOVMPJBVMRZ-BZSNNMDCSA-N 2 1 288.435 2.461 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000346093376 274049527 /nfs/dbraw/zinc/04/95/27/274049527.db2.gz HPMFOVMPJBVMRZ-BZSNNMDCSA-N 2 1 288.435 2.461 20 0 CEADMP c1cc2c(nc[nH+]c2N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[nH]1 ZINC000269458462 275065137 /nfs/dbraw/zinc/06/51/37/275065137.db2.gz XNRKUTSKDFJKRP-WFASDCNBSA-N 2 1 297.406 2.411 20 0 CEADMP c1cc2c(nc[nH+]c2N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[nH]1 ZINC000269458462 275065138 /nfs/dbraw/zinc/06/51/38/275065138.db2.gz XNRKUTSKDFJKRP-WFASDCNBSA-N 2 1 297.406 2.411 20 0 CEADMP C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCCCO1 ZINC000257682768 275391694 /nfs/dbraw/zinc/39/16/94/275391694.db2.gz LMFAVRQADDTYCR-GJZGRUSLSA-N 2 1 252.402 2.021 20 0 CEADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)[C@H]1CCCCO1 ZINC000347442929 275393194 /nfs/dbraw/zinc/39/31/94/275393194.db2.gz QMLAJEBJEBFCQW-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCSC1 ZINC000336707149 275395322 /nfs/dbraw/zinc/39/53/22/275395322.db2.gz NFVOSPKMCXDZLW-BFHYXJOUSA-N 2 1 254.443 2.346 20 0 CEADMP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H](C)OC ZINC000361018168 276143497 /nfs/dbraw/zinc/14/34/97/276143497.db2.gz QWEVNSGKVDDURI-ZDUSSCGKSA-N 2 1 288.395 2.433 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000411249168 276201629 /nfs/dbraw/zinc/20/16/29/276201629.db2.gz CLEIIWXWGZVZRY-IPMKNSEASA-N 2 1 299.462 2.254 20 0 CEADMP CCC1(CC)[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@@H]1OC ZINC000344274281 276217718 /nfs/dbraw/zinc/21/77/18/276217718.db2.gz BAJINALYXLXDQJ-CABCVRRESA-N 2 1 266.429 2.432 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000340119017 276234619 /nfs/dbraw/zinc/23/46/19/276234619.db2.gz DYMKCBJEQHNBDA-XHSDSOJGSA-N 2 1 295.471 2.132 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351712187 276279317 /nfs/dbraw/zinc/27/93/17/276279317.db2.gz NHPWBEUARHUGIF-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351712187 276279319 /nfs/dbraw/zinc/27/93/19/276279319.db2.gz NHPWBEUARHUGIF-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351712187 276279320 /nfs/dbraw/zinc/27/93/20/276279320.db2.gz NHPWBEUARHUGIF-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351712187 276279323 /nfs/dbraw/zinc/27/93/23/276279323.db2.gz NHPWBEUARHUGIF-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+]1CCC(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000346295405 276358267 /nfs/dbraw/zinc/35/82/67/276358267.db2.gz CGXLUDFGVVVJRR-GASCZTMLSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@]2(C1)CCCOC2 ZINC000341990057 277046618 /nfs/dbraw/zinc/04/66/18/277046618.db2.gz LKNNJWJHHZIXOT-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341990057 277046619 /nfs/dbraw/zinc/04/66/19/277046619.db2.gz LKNNJWJHHZIXOT-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341990057 277046621 /nfs/dbraw/zinc/04/66/21/277046621.db2.gz LKNNJWJHHZIXOT-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000336839834 277059982 /nfs/dbraw/zinc/05/99/82/277059982.db2.gz PGADRKHUSSWANB-OLZOCXBDSA-N 2 1 294.361 2.250 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000336839834 277059983 /nfs/dbraw/zinc/05/99/83/277059983.db2.gz PGADRKHUSSWANB-OLZOCXBDSA-N 2 1 294.361 2.250 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000336839834 277059986 /nfs/dbraw/zinc/05/99/86/277059986.db2.gz PGADRKHUSSWANB-OLZOCXBDSA-N 2 1 294.361 2.250 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCSC2(CCOCC2)C1 ZINC000186848159 277061421 /nfs/dbraw/zinc/06/14/21/277061421.db2.gz LRIUBGSKDCOAIE-CQSZACIVSA-N 2 1 284.469 2.069 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCSC2(CCOCC2)C1 ZINC000186848159 277061422 /nfs/dbraw/zinc/06/14/22/277061422.db2.gz LRIUBGSKDCOAIE-CQSZACIVSA-N 2 1 284.469 2.069 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186848159 277061423 /nfs/dbraw/zinc/06/14/23/277061423.db2.gz LRIUBGSKDCOAIE-CQSZACIVSA-N 2 1 284.469 2.069 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCSC2(CCOCC2)C1 ZINC000186848159 277061424 /nfs/dbraw/zinc/06/14/24/277061424.db2.gz LRIUBGSKDCOAIE-CQSZACIVSA-N 2 1 284.469 2.069 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CC(F)(F)C3)CC[C@@H]21 ZINC000336203017 277068449 /nfs/dbraw/zinc/06/84/49/277068449.db2.gz UDKABIZOADWKHJ-OLZOCXBDSA-N 2 1 258.356 2.448 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CC(F)(F)C3)CC[C@@H]21 ZINC000336203017 277068450 /nfs/dbraw/zinc/06/84/50/277068450.db2.gz UDKABIZOADWKHJ-OLZOCXBDSA-N 2 1 258.356 2.448 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CC(F)(F)C3)CC[C@@H]21 ZINC000336203017 277068451 /nfs/dbraw/zinc/06/84/51/277068451.db2.gz UDKABIZOADWKHJ-OLZOCXBDSA-N 2 1 258.356 2.448 20 0 CEADMP COC1CCC([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000414925655 277193390 /nfs/dbraw/zinc/19/33/90/277193390.db2.gz IVXZOFRFBVYWDV-RUXDESIVSA-N 2 1 254.418 2.312 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414835347 277282932 /nfs/dbraw/zinc/28/29/32/277282932.db2.gz IJULUHJEAJQCAX-ZOBUZTSGSA-N 2 1 275.440 2.267 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414835347 277282933 /nfs/dbraw/zinc/28/29/33/277282933.db2.gz IJULUHJEAJQCAX-ZOBUZTSGSA-N 2 1 275.440 2.267 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000308337393 277306417 /nfs/dbraw/zinc/30/64/17/277306417.db2.gz FBHARHCJDPIIDI-HUUCEWRRSA-N 2 1 264.413 2.160 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)[C@@H]1C ZINC000353915722 277326391 /nfs/dbraw/zinc/32/63/91/277326391.db2.gz NWVCPSXVVPXMPN-NYTXWWLZSA-N 2 1 294.439 2.038 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000246559446 277397382 /nfs/dbraw/zinc/39/73/82/277397382.db2.gz XCMBUKFRHRBZDL-OAGGEKHMSA-N 2 1 268.445 2.369 20 0 CEADMP CS[C@@H]1CN(c2cc[nH+]cc2Cl)C[C@H]1[NH+](C)C ZINC000271659466 277524667 /nfs/dbraw/zinc/52/46/67/277524667.db2.gz USAOPQXSBYRHCI-VXGBXAGGSA-N 2 1 271.817 2.217 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CC(O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000353483411 278002272 /nfs/dbraw/zinc/00/22/72/278002272.db2.gz WRBZEITZDDQWBM-GEEKYZPCSA-N 2 1 282.472 2.303 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000334883259 278028589 /nfs/dbraw/zinc/02/85/89/278028589.db2.gz TWTSYSLTLVNYER-LSDHHAIUSA-N 2 1 288.435 2.484 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000252152418 278216884 /nfs/dbraw/zinc/21/68/84/278216884.db2.gz OTLYYZBWYAOGGK-UGUYLWEFSA-N 2 1 267.461 2.370 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000252152418 278216885 /nfs/dbraw/zinc/21/68/85/278216885.db2.gz OTLYYZBWYAOGGK-UGUYLWEFSA-N 2 1 267.461 2.370 20 0 CEADMP CC1(C)CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000342708626 278271166 /nfs/dbraw/zinc/27/11/66/278271166.db2.gz LLQJMPMOEYEDIY-KBPBESRZSA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)(C)N1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401028592 278342027 /nfs/dbraw/zinc/34/20/27/278342027.db2.gz ONKWFWILBQUPLN-OFQRWUPVSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCCCC1 ZINC000358223128 278352723 /nfs/dbraw/zinc/35/27/23/278352723.db2.gz ABKRLNYBQDBYFZ-HIFRSBDPSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCCCC1 ZINC000358223128 278352725 /nfs/dbraw/zinc/35/27/25/278352725.db2.gz ABKRLNYBQDBYFZ-HIFRSBDPSA-N 2 1 254.418 2.002 20 0 CEADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000246017002 278390021 /nfs/dbraw/zinc/39/00/21/278390021.db2.gz TZKHIDDWELMKAE-MCIONIFRSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000252713338 288079861 /nfs/dbraw/zinc/07/98/61/288079861.db2.gz OXDBRMKVLMMRIK-RBSFLKMASA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000252713338 288079863 /nfs/dbraw/zinc/07/98/63/288079863.db2.gz OXDBRMKVLMMRIK-RBSFLKMASA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000361216631 288080076 /nfs/dbraw/zinc/08/00/76/288080076.db2.gz NNLPLHUJRUFOJF-LVQVYYBASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000361216631 288080078 /nfs/dbraw/zinc/08/00/78/288080078.db2.gz NNLPLHUJRUFOJF-LVQVYYBASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000361216631 288080081 /nfs/dbraw/zinc/08/00/81/288080081.db2.gz NNLPLHUJRUFOJF-LVQVYYBASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000352716918 278964361 /nfs/dbraw/zinc/96/43/61/278964361.db2.gz IKYANZFODIHJME-CHWSQXEVSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1nccnc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414194708 279174980 /nfs/dbraw/zinc/17/49/80/279174980.db2.gz UPEAPIOBXHPDMG-TZMCWYRMSA-N 2 1 262.401 2.168 20 0 CEADMP CC(C)C[C@]1(CO)CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414761745 279239626 /nfs/dbraw/zinc/23/96/26/279239626.db2.gz UQJMERKPKINYMM-OAGGEKHMSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000358326410 279251442 /nfs/dbraw/zinc/25/14/42/279251442.db2.gz GSIRERGMCHDEEW-GYSYKLTISA-N 2 1 265.401 2.325 20 0 CEADMP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000353498362 279327191 /nfs/dbraw/zinc/32/71/91/279327191.db2.gz ZMZYNJOFQMGJLP-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000359545370 279352564 /nfs/dbraw/zinc/35/25/64/279352564.db2.gz IMMQNTLSROTLKG-UHFFFAOYSA-N 2 1 297.487 2.488 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000358943221 279353469 /nfs/dbraw/zinc/35/34/69/279353469.db2.gz OEOYXNSRUVGYEC-HNNXBMFYSA-N 2 1 276.428 2.263 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCOC1 ZINC000356870767 279454894 /nfs/dbraw/zinc/45/48/94/279454894.db2.gz OKKCILRNSSHIPN-STQMWFEESA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000336437882 288150766 /nfs/dbraw/zinc/15/07/66/288150766.db2.gz DDTGUBMNZDVEIZ-OAHLLOKOSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000178590631 280104317 /nfs/dbraw/zinc/10/43/17/280104317.db2.gz SQQSVOOCHFKQQN-IYBDPMFKSA-N 2 1 268.445 2.467 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@H](C)C2)C1 ZINC000178590631 280104320 /nfs/dbraw/zinc/10/43/20/280104320.db2.gz SQQSVOOCHFKQQN-IYBDPMFKSA-N 2 1 268.445 2.467 20 0 CEADMP C[C@@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@H](C)C2)C1 ZINC000178590631 280104322 /nfs/dbraw/zinc/10/43/22/280104322.db2.gz SQQSVOOCHFKQQN-IYBDPMFKSA-N 2 1 268.445 2.467 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000183175609 280112329 /nfs/dbraw/zinc/11/23/29/280112329.db2.gz CVQNHBFXMQBQMN-UONOGXRCSA-N 2 1 299.459 2.364 20 0 CEADMP CC[C@@H](C[NH2+][C@@H](C)C1CCOCC1)[NH+]1CCCC1 ZINC000151719583 280145379 /nfs/dbraw/zinc/14/53/79/280145379.db2.gz JONSIWHEIDDOQL-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000246187008 280278920 /nfs/dbraw/zinc/27/89/20/280278920.db2.gz CSYQMBQXIYLBPW-ARFHVFGLSA-N 2 1 295.471 2.084 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246532003 280299256 /nfs/dbraw/zinc/29/92/56/280299256.db2.gz VKRONKAMWMEBPV-XJKCOSOUSA-N 2 1 292.471 2.363 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000246532003 280299257 /nfs/dbraw/zinc/29/92/57/280299257.db2.gz VKRONKAMWMEBPV-XJKCOSOUSA-N 2 1 292.471 2.363 20 0 CEADMP COC[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246915390 280314042 /nfs/dbraw/zinc/31/40/42/280314042.db2.gz GLQATLGHFQNCJH-QLFBSQMISA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)[NH+]1CCCC1 ZINC000246978366 280316460 /nfs/dbraw/zinc/31/64/60/280316460.db2.gz JOEDKWMPPPKOLH-ILXRZTDVSA-N 2 1 254.418 2.121 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](C)C1 ZINC000247046214 280318866 /nfs/dbraw/zinc/31/88/66/280318866.db2.gz MZXKIMLRFWYHEV-ULQDDVLXSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc([S@](C)=O)cc1 ZINC000247987187 280341554 /nfs/dbraw/zinc/34/15/54/280341554.db2.gz IYOSRINRAYAYQK-MNVSYLFESA-N 2 1 294.464 2.416 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc([S@@](C)=O)cc1 ZINC000247987186 280341569 /nfs/dbraw/zinc/34/15/69/280341569.db2.gz IYOSRINRAYAYQK-LRDNONRASA-N 2 1 294.464 2.416 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c(C)noc2C)[C@@H](C)C1 ZINC000248127516 280342373 /nfs/dbraw/zinc/34/23/73/280342373.db2.gz OBJGPGMOWQMQLH-NHYWBVRUSA-N 2 1 265.401 2.154 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccoc1 ZINC000248135089 280342790 /nfs/dbraw/zinc/34/27/90/280342790.db2.gz OXVLFEKYNIMPHQ-HIFRSBDPSA-N 2 1 266.385 2.167 20 0 CEADMP CC1CC[NH+](CCCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422875382 280945188 /nfs/dbraw/zinc/94/51/88/280945188.db2.gz FBDKLIOVQFUFBH-HZPDHXFCSA-N 3 1 267.461 2.086 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC000422928429 280969803 /nfs/dbraw/zinc/96/98/03/280969803.db2.gz KMVJZWTUOUYAOM-GFCCVEGCSA-N 2 1 252.333 2.066 20 0 CEADMP Cc1ccsc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423012487 280994592 /nfs/dbraw/zinc/99/45/92/280994592.db2.gz DEMARLLJYQWDIP-RRFJBIMHSA-N 2 1 294.464 2.346 20 0 CEADMP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000423013508 280995004 /nfs/dbraw/zinc/99/50/04/280995004.db2.gz NACIVVXILGMQEB-OWCLPIDISA-N 2 1 288.439 2.158 20 0 CEADMP CC[C@H]([NH2+]CCc1cnc(C2CC2)nc1)[C@@H]1CCC[NH2+]1 ZINC000423013099 280995049 /nfs/dbraw/zinc/99/50/49/280995049.db2.gz MBHDJUCQGWOTJZ-GJZGRUSLSA-N 2 1 274.412 2.017 20 0 CEADMP Cn1c(C[NH2+][C@H]2CCC[C@H]2C[NH3+])nc2cccc(Cl)c21 ZINC000423046351 281008073 /nfs/dbraw/zinc/00/80/73/281008073.db2.gz DIJWCSNLGZTQRM-JQWIXIFHSA-N 2 1 292.814 2.444 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2N(C)C1)[C@H]1CCC[NH2+]1 ZINC000423061688 281016275 /nfs/dbraw/zinc/01/62/75/281016275.db2.gz RFMVLOHVFJTCGJ-IJEWVQPXSA-N 2 1 273.424 2.025 20 0 CEADMP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000423403330 281029363 /nfs/dbraw/zinc/02/93/63/281029363.db2.gz SAYOUBGRRJDHRO-COPLHBTASA-N 2 1 296.386 2.492 20 0 CEADMP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423426388 281038718 /nfs/dbraw/zinc/03/87/18/281038718.db2.gz HSYFZCDGAHXXLT-FWYOQMDTSA-N 2 1 260.381 2.344 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2[NH2+]CCc3ccccc32)C[N@H+]1C1CC1 ZINC000423439790 281043162 /nfs/dbraw/zinc/04/31/62/281043162.db2.gz VLNAAZMRQDBLAS-SIIHOXLZSA-N 2 1 285.435 2.088 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000423464159 281048187 /nfs/dbraw/zinc/04/81/87/281048187.db2.gz LWIPVCBGEYWMQL-RYUDHWBXSA-N 2 1 266.385 2.400 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423465625 281049112 /nfs/dbraw/zinc/04/91/12/281049112.db2.gz MVHZTDOEKOZKKO-HIFRSBDPSA-N 3 1 279.428 2.015 20 0 CEADMP C1CC([C@H]2CC[C@@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000423512885 281057994 /nfs/dbraw/zinc/05/79/94/281057994.db2.gz QPOKINLONHCWIC-HIEASXQVSA-N 2 1 291.483 2.371 20 0 CEADMP CC(C)C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000423531249 281064174 /nfs/dbraw/zinc/06/41/74/281064174.db2.gz ZRETTYLZLIDDIA-SJORKVTESA-N 2 1 275.440 2.267 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cncn2C(C)C)C1 ZINC000424164240 281127006 /nfs/dbraw/zinc/12/70/06/281127006.db2.gz YUHKEVVQIWKJET-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cncn2C(C)C)C1 ZINC000424164240 281127008 /nfs/dbraw/zinc/12/70/08/281127008.db2.gz YUHKEVVQIWKJET-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000424274431 281141728 /nfs/dbraw/zinc/14/17/28/281141728.db2.gz YWYOORCMYJZPMI-NRXISQOPSA-N 2 1 282.428 2.038 20 0 CEADMP F[C@H]1CCC[C@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425896304 281190477 /nfs/dbraw/zinc/19/04/77/281190477.db2.gz NVWXRFXQOUWDJV-QWHCGFSZSA-N 2 1 267.348 2.122 20 0 CEADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C[NH3+])CC1 ZINC000430619429 281270373 /nfs/dbraw/zinc/27/03/73/281270373.db2.gz BEDSUNWJOIDVOW-NSHDSACASA-N 2 1 286.379 2.067 20 0 CEADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C[NH3+])CC1 ZINC000430619428 281270383 /nfs/dbraw/zinc/27/03/83/281270383.db2.gz BEDSUNWJOIDVOW-LLVKDONJSA-N 2 1 286.379 2.067 20 0 CEADMP C[C@H]1CCC[N@@H+](CCNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431748529 281316707 /nfs/dbraw/zinc/31/67/07/281316707.db2.gz HFDDMKPIBUMYQT-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCC[NH+](CCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000431748529 281316711 /nfs/dbraw/zinc/31/67/11/281316711.db2.gz HFDDMKPIBUMYQT-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCC[NH+](CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000431748529 281316715 /nfs/dbraw/zinc/31/67/15/281316715.db2.gz HFDDMKPIBUMYQT-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000432356862 281324808 /nfs/dbraw/zinc/32/48/08/281324808.db2.gz KIWOUENPKDRLCT-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000432356862 281324809 /nfs/dbraw/zinc/32/48/09/281324809.db2.gz KIWOUENPKDRLCT-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433056145 281363600 /nfs/dbraw/zinc/36/36/00/281363600.db2.gz GNYOQGLWHDXIAD-QLFBSQMISA-N 2 1 280.456 2.248 20 0 CEADMP CC(C)[C@H](C[NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000433127351 281367722 /nfs/dbraw/zinc/36/77/22/281367722.db2.gz RWEBOIMFFOLFGQ-ZNMIVQPWSA-N 2 1 297.487 2.090 20 0 CEADMP C[NH+](C)C1(C[NH2+]CC[C@@H]2CCOC2)CCCCC1 ZINC000438072939 281443857 /nfs/dbraw/zinc/44/38/57/281443857.db2.gz NBQGELAVSTYRNT-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP COC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000446754432 281779193 /nfs/dbraw/zinc/77/91/93/281779193.db2.gz WMXOTFLFXZHWJY-MRXNPFEDSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH+](C)CC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000355069233 289095163 /nfs/dbraw/zinc/09/51/63/289095163.db2.gz RKOMOMYEYHZVIW-JKSUJKDBSA-N 2 1 279.472 2.325 20 0 CEADMP C[NH+](C)CC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000355069233 289095166 /nfs/dbraw/zinc/09/51/66/289095166.db2.gz RKOMOMYEYHZVIW-JKSUJKDBSA-N 3 1 279.472 2.325 20 0 CEADMP C[NH+](C)CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000355069233 289095169 /nfs/dbraw/zinc/09/51/69/289095169.db2.gz RKOMOMYEYHZVIW-JKSUJKDBSA-N 3 1 279.472 2.325 20 0 CEADMP CN(CCC[N@@H+](C)Cc1cccs1)CC[NH+](C)C ZINC000289159302 289133057 /nfs/dbraw/zinc/13/30/57/289133057.db2.gz DNNJQXCVXKEVCC-UHFFFAOYSA-N 2 1 269.458 2.063 20 0 CEADMP CC[N@@H+](CC(=O)NC[C@@H]1CCCC[NH+]1CC(C)C)C1CC1 ZINC000154191662 289137590 /nfs/dbraw/zinc/13/75/90/289137590.db2.gz CYEOFLDZRJHMRF-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C)C1CC1 ZINC000154191662 289137592 /nfs/dbraw/zinc/13/75/92/289137592.db2.gz CYEOFLDZRJHMRF-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C)C1CC1 ZINC000154191662 289137593 /nfs/dbraw/zinc/13/75/93/289137593.db2.gz CYEOFLDZRJHMRF-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000156671195 289200531 /nfs/dbraw/zinc/20/05/31/289200531.db2.gz OEGWBJAPOOIZLI-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000156671195 289200532 /nfs/dbraw/zinc/20/05/32/289200532.db2.gz OEGWBJAPOOIZLI-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000156671195 289200533 /nfs/dbraw/zinc/20/05/33/289200533.db2.gz OEGWBJAPOOIZLI-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000401758569 289288424 /nfs/dbraw/zinc/28/84/24/289288424.db2.gz GKPWOCQLNYHXDQ-UHFFFAOYSA-N 2 1 254.337 2.234 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H]1CCC(C)(C)O1 ZINC000360118061 289323138 /nfs/dbraw/zinc/32/31/38/289323138.db2.gz ZMMDFNJWOLRHAZ-KLHDSHLOSA-N 2 1 296.455 2.128 20 0 CEADMP C[C@H](C(=O)NCC[NH+]1CCC[C@@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101643569 289353438 /nfs/dbraw/zinc/35/34/38/289353438.db2.gz NMPQWAYWIQXBTQ-LVQVYYBASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000101643569 289353440 /nfs/dbraw/zinc/35/34/40/289353440.db2.gz NMPQWAYWIQXBTQ-LVQVYYBASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000101643569 289353441 /nfs/dbraw/zinc/35/34/41/289353441.db2.gz NMPQWAYWIQXBTQ-LVQVYYBASA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CCn2cc(Cl)cn2)C[C@@H]1C ZINC000459361585 290126573 /nfs/dbraw/zinc/12/65/73/290126573.db2.gz PJWFZMLCPHVANG-JSGCOSHPSA-N 2 1 284.835 2.341 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCn2cc(Cl)cn2)C[C@@H]1C ZINC000459361585 290126576 /nfs/dbraw/zinc/12/65/76/290126576.db2.gz PJWFZMLCPHVANG-JSGCOSHPSA-N 2 1 284.835 2.341 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2cc(Cl)cn2)C[C@@H]1C ZINC000459361585 290126577 /nfs/dbraw/zinc/12/65/77/290126577.db2.gz PJWFZMLCPHVANG-JSGCOSHPSA-N 2 1 284.835 2.341 20 0 CEADMP COCc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)no1 ZINC000459376122 290130250 /nfs/dbraw/zinc/13/02/50/290130250.db2.gz NPKUJPNLWISICT-UHFFFAOYSA-N 2 1 295.427 2.375 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1SC ZINC000459389893 290134685 /nfs/dbraw/zinc/13/46/85/290134685.db2.gz NYYUGAGISABDOB-RRFJBIMHSA-N 2 1 284.469 2.112 20 0 CEADMP Cc1cnc([C@@H]([NH2+]CCc2c[nH+]cn2C)C2CC2)s1 ZINC000459408098 290139262 /nfs/dbraw/zinc/13/92/62/290139262.db2.gz QGPCLVKQRWWOQU-ZDUSSCGKSA-N 2 1 276.409 2.468 20 0 CEADMP C[NH+](C)CC1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459450703 290152181 /nfs/dbraw/zinc/15/21/81/290152181.db2.gz OQXFVMNWJYTIAC-UHFFFAOYSA-N 3 1 279.472 2.323 20 0 CEADMP c1[nH]c2ncccc2c1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459457688 290154789 /nfs/dbraw/zinc/15/47/89/290154789.db2.gz XXYXCDZDCZDOKB-UHFFFAOYSA-N 2 1 284.407 2.322 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459489381 290162662 /nfs/dbraw/zinc/16/26/62/290162662.db2.gz ANYYJQLVQULIJV-QGZVFWFLSA-N 2 1 288.435 2.115 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459684143 290210729 /nfs/dbraw/zinc/21/07/29/290210729.db2.gz UAVHCQRJFAQUFG-HUUCEWRRSA-N 2 1 275.396 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459684143 290210730 /nfs/dbraw/zinc/21/07/30/290210730.db2.gz UAVHCQRJFAQUFG-HUUCEWRRSA-N 2 1 275.396 2.083 20 0 CEADMP Cn1c2ccccc2nc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459725213 290218190 /nfs/dbraw/zinc/21/81/90/290218190.db2.gz FSLGQWNMZFNFEN-CQSZACIVSA-N 2 1 286.423 2.395 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000459738690 290222408 /nfs/dbraw/zinc/22/24/08/290222408.db2.gz SDSLHAKLGHYAKZ-CQSZACIVSA-N 2 1 299.422 2.293 20 0 CEADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261778399 290263773 /nfs/dbraw/zinc/26/37/73/290263773.db2.gz PFHUKFMULREIRJ-ZIAGYGMSSA-N 2 1 293.842 2.381 20 0 CEADMP C[C@@H](C[NH2+]C[C@H]1CCSC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000486956686 290323979 /nfs/dbraw/zinc/32/39/79/290323979.db2.gz NPMKJNUITIZLDP-HZSPNIEDSA-N 2 1 256.459 2.450 20 0 CEADMP C[C@@H](C[NH2+]C[C@H]1CCSC1)[N@H+]1CCC[C@@H](C)C1 ZINC000486956686 290323982 /nfs/dbraw/zinc/32/39/82/290323982.db2.gz NPMKJNUITIZLDP-HZSPNIEDSA-N 2 1 256.459 2.450 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]C/C=C\c2ccncc2)C1 ZINC000486970340 290325219 /nfs/dbraw/zinc/32/52/19/290325219.db2.gz RAIBGWKBANSQCM-OICCZTGUSA-N 2 1 259.397 2.416 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCCSCCOC)CC1 ZINC000488428749 290398655 /nfs/dbraw/zinc/39/86/55/290398655.db2.gz KWEDYSPRSZXWBG-UHFFFAOYSA-N 2 1 274.474 2.172 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCCSCCOC)CC1 ZINC000488428749 290398658 /nfs/dbraw/zinc/39/86/58/290398658.db2.gz KWEDYSPRSZXWBG-UHFFFAOYSA-N 2 1 274.474 2.172 20 0 CEADMP CCCn1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cn1 ZINC000172044269 297486641 /nfs/dbraw/zinc/48/66/41/297486641.db2.gz FRGHEWCANIISQV-CYBMUJFWSA-N 2 1 275.400 2.224 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)C2 ZINC000530216187 298052583 /nfs/dbraw/zinc/05/25/83/298052583.db2.gz NPYYIHAVCHACKI-WMLDXEAASA-N 2 1 286.419 2.427 20 0 CEADMP C[C@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1c[nH+]ccc1N ZINC000530216407 298052856 /nfs/dbraw/zinc/05/28/56/298052856.db2.gz BFIFHLCVKSRKOE-NSHDSACASA-N 2 1 281.363 2.232 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1N(C)C ZINC000530460381 298072971 /nfs/dbraw/zinc/07/29/71/298072971.db2.gz PDUVKTSOQSGURI-ZDUSSCGKSA-N 2 1 272.396 2.379 20 0 CEADMP Cc1ccccc1C[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530513347 298075443 /nfs/dbraw/zinc/07/54/43/298075443.db2.gz LBVHKFLYQJYMPV-AWEZNQCLSA-N 2 1 257.381 2.492 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000532191629 298134896 /nfs/dbraw/zinc/13/48/96/298134896.db2.gz BRLPJAUWZKRQHC-ARFHVFGLSA-N 2 1 297.487 2.486 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000532191629 298134897 /nfs/dbraw/zinc/13/48/97/298134897.db2.gz BRLPJAUWZKRQHC-ARFHVFGLSA-N 2 1 297.487 2.486 20 0 CEADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cscn2)CC1 ZINC000535064559 298183136 /nfs/dbraw/zinc/18/31/36/298183136.db2.gz LJIRSJGMFIEBAU-AWEZNQCLSA-N 2 1 296.484 2.211 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC(=O)Nc3ccccc32)C1 ZINC000542475837 298290662 /nfs/dbraw/zinc/29/06/62/298290662.db2.gz LGAUXRZOPGWPID-ZFWWWQNUSA-N 2 1 287.407 2.391 20 0 CEADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335215924 303132377 /nfs/dbraw/zinc/13/23/77/303132377.db2.gz KKBLISPWNWGAJX-AWEZNQCLSA-N 2 1 264.344 2.381 20 0 CEADMP C[N@@H+](C[C@@H](O)CNCc1ccc(C(C)(F)F)cc1)C1CC1 ZINC000521613107 313130062 /nfs/dbraw/zinc/13/00/62/313130062.db2.gz RRVNPRSGPLRMMZ-HNNXBMFYSA-N 2 1 298.377 2.343 20 0 CEADMP CN(C[C@@H](O)C[NH2+]Cc1ccc(C(C)(F)F)cc1)C1CC1 ZINC000521613107 313130065 /nfs/dbraw/zinc/13/00/65/313130065.db2.gz RRVNPRSGPLRMMZ-HNNXBMFYSA-N 2 1 298.377 2.343 20 0 CEADMP C/C(Cl)=C\C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000528372148 313246072 /nfs/dbraw/zinc/24/60/72/313246072.db2.gz FQEDUHVIAQKZON-VFJIKVCNSA-N 2 1 274.836 2.154 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1C[NH3+] ZINC000530226977 313285587 /nfs/dbraw/zinc/28/55/87/313285587.db2.gz VJTNSPRHZPCWIM-JMSVASOKSA-N 2 1 280.387 2.123 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(CO)ccc2F)C[C@@H]1C[NH3+] ZINC000530226977 313285588 /nfs/dbraw/zinc/28/55/88/313285588.db2.gz VJTNSPRHZPCWIM-JMSVASOKSA-N 2 1 280.387 2.123 20 0 CEADMP CC(C)Cc1ccccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000530234325 313287209 /nfs/dbraw/zinc/28/72/09/313287209.db2.gz AUUQTXDJLKCNPJ-SFHVURJKSA-N 2 1 290.451 2.431 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000534219280 313377299 /nfs/dbraw/zinc/37/72/99/313377299.db2.gz ARTZPZJEYLVNEY-HNNXBMFYSA-N 2 1 287.407 2.465 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000534219280 313377300 /nfs/dbraw/zinc/37/73/00/313377300.db2.gz ARTZPZJEYLVNEY-HNNXBMFYSA-N 2 1 287.407 2.465 20 0 CEADMP CCc1cc(NCCC[NH+]2CCCCC2)nc(C)[nH+]1 ZINC000542949160 313454715 /nfs/dbraw/zinc/45/47/15/313454715.db2.gz NTMHGGHQTMUKCB-UHFFFAOYSA-N 2 1 262.401 2.057 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000568472028 313958150 /nfs/dbraw/zinc/95/81/50/313958150.db2.gz QCWLKWMVJPKSHN-HUUCEWRRSA-N 2 1 287.411 2.241 20 0 CEADMP CCC[C@@]1(C)CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000570737677 314055512 /nfs/dbraw/zinc/05/55/12/314055512.db2.gz XCMMSKQKLFWRFJ-GJZGRUSLSA-N 2 1 256.434 2.201 20 0 CEADMP CCC[C@@]1(C)CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000570737677 314055517 /nfs/dbraw/zinc/05/55/17/314055517.db2.gz XCMMSKQKLFWRFJ-GJZGRUSLSA-N 2 1 256.434 2.201 20 0 CEADMP CCC[C@@]1(C)CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000570737677 314055518 /nfs/dbraw/zinc/05/55/18/314055518.db2.gz XCMMSKQKLFWRFJ-GJZGRUSLSA-N 2 1 256.434 2.201 20 0 CEADMP CC(C)n1nccc1CN(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000571483641 314092901 /nfs/dbraw/zinc/09/29/01/314092901.db2.gz IEBUWPUMDDMNDH-DZGCQCFKSA-N 2 1 264.417 2.236 20 0 CEADMP CC1CCC(O)(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000572029951 314117505 /nfs/dbraw/zinc/11/75/05/314117505.db2.gz DRTBGNUJTZILBL-BBBYJDLNSA-N 2 1 266.429 2.002 20 0 CEADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000572234327 314125630 /nfs/dbraw/zinc/12/56/30/314125630.db2.gz SIICSPPTZOXKKZ-VXGBXAGGSA-N 2 1 266.360 2.312 20 0 CEADMP COCCOc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000573016423 314136568 /nfs/dbraw/zinc/13/65/68/314136568.db2.gz RCIXPAQBBIWXAY-ZFWWWQNUSA-N 2 1 278.396 2.023 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000573722211 314173725 /nfs/dbraw/zinc/17/37/25/314173725.db2.gz AJAAZJHRIFDSRS-MRXNPFEDSA-N 2 1 267.461 2.038 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000574126343 314188072 /nfs/dbraw/zinc/18/80/72/314188072.db2.gz INXYUQTWDBCMDQ-UONOGXRCSA-N 2 1 287.411 2.012 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)CCC2 ZINC000575175082 314211815 /nfs/dbraw/zinc/21/18/15/314211815.db2.gz DGQZOZBDVZPLPA-FUHWJXTLSA-N 2 1 288.435 2.417 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)CCC2 ZINC000575175082 314211818 /nfs/dbraw/zinc/21/18/18/314211818.db2.gz DGQZOZBDVZPLPA-FUHWJXTLSA-N 2 1 288.435 2.417 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](C)O ZINC000576339832 314265442 /nfs/dbraw/zinc/26/54/42/314265442.db2.gz YCKHCDLBLIOJCC-BARDWOONSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@@H](O)[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000576339833 314265483 /nfs/dbraw/zinc/26/54/83/314265483.db2.gz YCKHCDLBLIOJCC-LJISPDSOSA-N 2 1 256.434 2.103 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000576647159 314298102 /nfs/dbraw/zinc/29/81/02/314298102.db2.gz BCVINDHYYHKCSU-YVSFHVDLSA-N 2 1 273.424 2.291 20 0 CEADMP CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000576647159 314298104 /nfs/dbraw/zinc/29/81/04/314298104.db2.gz BCVINDHYYHKCSU-YVSFHVDLSA-N 2 1 273.424 2.291 20 0 CEADMP CC(C)CCOCCN1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000576954474 314326970 /nfs/dbraw/zinc/32/69/70/314326970.db2.gz KPGHUYATHMHQBT-INIZCTEOSA-N 2 1 298.471 2.234 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000580711603 322337772 /nfs/dbraw/zinc/33/77/72/322337772.db2.gz IMRFXQQNYAXXOM-KGLIPLIRSA-N 2 1 289.423 2.166 20 0 CEADMP Cc1ccncc1CCC[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000580920102 322354310 /nfs/dbraw/zinc/35/43/10/322354310.db2.gz UJEYPIWKVQACBI-OAHLLOKOSA-N 2 1 261.413 2.254 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000580947317 322356743 /nfs/dbraw/zinc/35/67/43/322356743.db2.gz QLKVDJHUWMEGMB-KBPBESRZSA-N 2 1 282.453 2.321 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000580947317 322356744 /nfs/dbraw/zinc/35/67/44/322356744.db2.gz QLKVDJHUWMEGMB-KBPBESRZSA-N 2 1 282.453 2.321 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000581134737 322372191 /nfs/dbraw/zinc/37/21/91/322372191.db2.gz YNFVRQOFDPCZEQ-MRXNPFEDSA-N 2 1 295.471 2.227 20 0 CEADMP COc1cc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)c(F)cn1 ZINC000581269409 322382780 /nfs/dbraw/zinc/38/27/80/322382780.db2.gz MZHMCYRJTDKJQG-VXGBXAGGSA-N 2 1 281.375 2.222 20 0 CEADMP C[NH+](C)Cc1ccc(-c2noc(C[NH2+]C3CC3)n2)cc1 ZINC000582300561 322461903 /nfs/dbraw/zinc/46/19/03/322461903.db2.gz PYHJREWCGLFHET-UHFFFAOYSA-N 2 1 272.352 2.050 20 0 CEADMP [NH3+]Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000582667045 322492226 /nfs/dbraw/zinc/49/22/26/322492226.db2.gz VDBYYIRHZGQSFH-IRXDYDNUSA-N 3 1 267.376 2.380 20 0 CEADMP COC(=O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000560936616 327353255 /nfs/dbraw/zinc/35/32/55/327353255.db2.gz WWPSMWIXNWHBMP-GDBMZVCRSA-N 2 1 290.407 2.050 20 0 CEADMP COC(=O)C[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000560936616 327353257 /nfs/dbraw/zinc/35/32/57/327353257.db2.gz WWPSMWIXNWHBMP-GDBMZVCRSA-N 2 1 290.407 2.050 20 0 CEADMP CSc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccn1 ZINC000357845950 534168482 /nfs/dbraw/zinc/16/84/82/534168482.db2.gz CAWGQCDBQJBRRO-WCQYABFASA-N 2 1 265.426 2.376 20 0 CEADMP CSc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccn1 ZINC000357845950 534168488 /nfs/dbraw/zinc/16/84/88/534168488.db2.gz CAWGQCDBQJBRRO-WCQYABFASA-N 2 1 265.426 2.376 20 0 CEADMP CC(C)[NH+](CCN[C@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000156243228 519648271 /nfs/dbraw/zinc/64/82/71/519648271.db2.gz QKUMVQOLNOVMAY-CABCVRRESA-N 2 1 255.450 2.035 20 0 CEADMP CC(C)[N@@H+](CCOCC[NH3+])Cc1cccc(F)c1 ZINC000261589008 519650064 /nfs/dbraw/zinc/65/00/64/519650064.db2.gz WBMISCBBUQLNDO-UHFFFAOYSA-N 2 1 254.349 2.011 20 0 CEADMP CC(C)CO[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359217633 519761785 /nfs/dbraw/zinc/76/17/85/519761785.db2.gz SMSCKSOATAQTSR-HNNXBMFYSA-N 2 1 254.418 2.123 20 0 CEADMP CCN(CC)C(=O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367759206 520464750 /nfs/dbraw/zinc/46/47/50/520464750.db2.gz XJPHXVWGOZHQLT-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000364867041 521627712 /nfs/dbraw/zinc/62/77/12/521627712.db2.gz XNQIUZHYGXGSHE-HRCADAONSA-N 2 1 298.471 2.281 20 0 CEADMP CC[C@H](C[NH2+][C@@H](C)CCn1cccn1)[NH+]1CCCC1 ZINC000157565631 522198022 /nfs/dbraw/zinc/19/80/22/522198022.db2.gz VBTAUSXKDNMVNX-LSDHHAIUSA-N 2 1 264.417 2.126 20 0 CEADMP C[C@@H](CC[NH+](C)C)N[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000049554474 524479873 /nfs/dbraw/zinc/47/98/73/524479873.db2.gz UBIAEJWPMFSSMB-FUHWJXTLSA-N 2 1 289.467 2.233 20 0 CEADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)[C@H]1CCOC1 ZINC000157414596 525447070 /nfs/dbraw/zinc/44/70/70/525447070.db2.gz INTGIPQJOCAIAS-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)[C@H]1CCOC1 ZINC000157414596 525447073 /nfs/dbraw/zinc/44/70/73/525447073.db2.gz INTGIPQJOCAIAS-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1nc([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)no1 ZINC000363473063 527044953 /nfs/dbraw/zinc/04/49/53/527044953.db2.gz XUGVZSDWCKFUIX-CQSZACIVSA-N 2 1 289.383 2.153 20 0 CEADMP Cc1nc([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)no1 ZINC000363473063 527044957 /nfs/dbraw/zinc/04/49/57/527044957.db2.gz XUGVZSDWCKFUIX-CQSZACIVSA-N 2 1 289.383 2.153 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N2CCC([NH+](C)C)CC2)n1 ZINC000363724511 527383690 /nfs/dbraw/zinc/38/36/90/527383690.db2.gz RTWQHMAFYNMXEM-UHFFFAOYSA-N 2 1 285.395 2.106 20 0 CEADMP OCCC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000157320757 527531451 /nfs/dbraw/zinc/53/14/51/527531451.db2.gz SEICYHOLPKSKFU-UHFFFAOYSA-N 2 1 288.435 2.403 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000417944714 527955967 /nfs/dbraw/zinc/95/59/67/527955967.db2.gz PWEORURYMZDDCM-OAHLLOKOSA-N 2 1 284.444 2.033 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC000357334740 528146471 /nfs/dbraw/zinc/14/64/71/528146471.db2.gz NWNMOHVHWVFUCW-MRXNPFEDSA-N 2 1 291.439 2.323 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000355291145 528266994 /nfs/dbraw/zinc/26/69/94/528266994.db2.gz MIOUKWILLJZUMY-CQSZACIVSA-N 2 1 297.487 2.343 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)CCC[NH3+] ZINC000417557759 528468037 /nfs/dbraw/zinc/46/80/37/528468037.db2.gz SJVRHSOUVQTBFL-LSDHHAIUSA-N 2 1 298.475 2.068 20 0 CEADMP CCC[NH2+]CCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000414862483 528515114 /nfs/dbraw/zinc/51/51/14/528515114.db2.gz AQWFGEGBNZRRSI-DOTOQJQBSA-N 2 1 275.440 2.096 20 0 CEADMP CCCCOCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159897020 528587180 /nfs/dbraw/zinc/58/71/80/528587180.db2.gz ZOIPMKAWNFRJGP-LSDHHAIUSA-N 2 1 254.418 2.410 20 0 CEADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@@H](C[NH3+])C3)ccc2o1 ZINC000420301394 536590453 /nfs/dbraw/zinc/59/04/53/536590453.db2.gz VTXNZMJWLSTHAJ-LBPRGKRZSA-N 2 1 288.347 2.000 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)C(C)(C)C)C1 ZINC000753732705 574515069 /nfs/dbraw/zinc/51/50/69/574515069.db2.gz NBZBJNSKIGPBMX-OAHLLOKOSA-N 2 1 298.471 2.424 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(C)=C(C)C ZINC000751367318 575287065 /nfs/dbraw/zinc/28/70/65/575287065.db2.gz NFVMTCUDYOGUPY-INIZCTEOSA-N 2 1 295.471 2.217 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CC ZINC000732293539 574618362 /nfs/dbraw/zinc/61/83/62/574618362.db2.gz MHHHCRXDEMLHHM-MRXNPFEDSA-N 2 1 297.487 2.489 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000732293539 574618363 /nfs/dbraw/zinc/61/83/63/574618363.db2.gz MHHHCRXDEMLHHM-MRXNPFEDSA-N 2 1 297.487 2.489 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000732293539 574618364 /nfs/dbraw/zinc/61/83/64/574618364.db2.gz MHHHCRXDEMLHHM-MRXNPFEDSA-N 2 1 297.487 2.489 20 0 CEADMP O[C@H](C[NH2+]C1(c2ccc(F)cc2)CCC1)C[NH+]1CCCC1 ZINC000749124294 575206489 /nfs/dbraw/zinc/20/64/89/575206489.db2.gz VIRGWMUOPCZQAB-MRXNPFEDSA-N 2 1 292.398 2.251 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000749198876 575208712 /nfs/dbraw/zinc/20/87/12/575208712.db2.gz SQKBWNAGEJEPAL-MNOVXSKESA-N 2 1 265.228 2.454 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000749198876 575208713 /nfs/dbraw/zinc/20/87/13/575208713.db2.gz SQKBWNAGEJEPAL-MNOVXSKESA-N 2 1 265.228 2.454 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000749198876 575208716 /nfs/dbraw/zinc/20/87/16/575208716.db2.gz SQKBWNAGEJEPAL-MNOVXSKESA-N 2 1 265.228 2.454 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000749198876 575208720 /nfs/dbraw/zinc/20/87/20/575208720.db2.gz SQKBWNAGEJEPAL-MNOVXSKESA-N 2 1 265.228 2.454 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749948931 575241157 /nfs/dbraw/zinc/24/11/57/575241157.db2.gz CEAGHZINBKSONR-JKSUJKDBSA-N 2 1 293.455 2.009 20 0 CEADMP CC(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC000971719623 614068562 /nfs/dbraw/zinc/06/85/62/614068562.db2.gz KTGSLQAQGUXLBS-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000971719623 614068564 /nfs/dbraw/zinc/06/85/64/614068564.db2.gz KTGSLQAQGUXLBS-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000971719623 614068566 /nfs/dbraw/zinc/06/85/66/614068566.db2.gz KTGSLQAQGUXLBS-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948553071 614348763 /nfs/dbraw/zinc/34/87/63/614348763.db2.gz DGHGMWHVQQHUGB-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000948553071 614348764 /nfs/dbraw/zinc/34/87/64/614348764.db2.gz DGHGMWHVQQHUGB-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000948553071 614348765 /nfs/dbraw/zinc/34/87/65/614348765.db2.gz DGHGMWHVQQHUGB-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)C2C[NH+](C(C)C)C2)C1 ZINC000951214269 614666180 /nfs/dbraw/zinc/66/61/80/614666180.db2.gz HIQRUKUUIBAESY-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC)C2C[NH+](C(C)C)C2)C1 ZINC000951214269 614666183 /nfs/dbraw/zinc/66/61/83/614666183.db2.gz HIQRUKUUIBAESY-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726113 614711337 /nfs/dbraw/zinc/71/13/37/614711337.db2.gz IVRMHKJAWGWVAW-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726113 614711340 /nfs/dbraw/zinc/71/13/40/614711340.db2.gz IVRMHKJAWGWVAW-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726113 614711342 /nfs/dbraw/zinc/71/13/42/614711342.db2.gz IVRMHKJAWGWVAW-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000960913140 614856402 /nfs/dbraw/zinc/85/64/02/614856402.db2.gz GDVOSRMIGJOZEU-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625037 615012549 /nfs/dbraw/zinc/01/25/49/615012549.db2.gz MYYHREIVJBMAKT-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940625037 615012550 /nfs/dbraw/zinc/01/25/50/615012550.db2.gz MYYHREIVJBMAKT-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940625037 615012553 /nfs/dbraw/zinc/01/25/53/615012553.db2.gz MYYHREIVJBMAKT-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](C(C)C)CC1(C)C ZINC000977656292 615111842 /nfs/dbraw/zinc/11/18/42/615111842.db2.gz PJLXWQFEZIKNMH-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)CC1(C)C ZINC000977656292 615111843 /nfs/dbraw/zinc/11/18/43/615111843.db2.gz PJLXWQFEZIKNMH-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)CC1(C)C ZINC000977656292 615111844 /nfs/dbraw/zinc/11/18/44/615111844.db2.gz PJLXWQFEZIKNMH-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000957782635 615113692 /nfs/dbraw/zinc/11/36/92/615113692.db2.gz LZJAKAVBOSMDTG-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000948887361 615123320 /nfs/dbraw/zinc/12/33/20/615123320.db2.gz XTSOALJAGNYKLQ-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974681745 615352762 /nfs/dbraw/zinc/35/27/62/615352762.db2.gz LJMNDUAZLHFCBD-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974681745 615352765 /nfs/dbraw/zinc/35/27/65/615352765.db2.gz LJMNDUAZLHFCBD-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974681745 615352767 /nfs/dbraw/zinc/35/27/67/615352767.db2.gz LJMNDUAZLHFCBD-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CC)CC2)CC[N@H+]1C ZINC000948389548 615584083 /nfs/dbraw/zinc/58/40/83/615584083.db2.gz WTVKFHJZCRWXPC-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](CC)CC2)CC[NH+]1C ZINC000948389548 615584084 /nfs/dbraw/zinc/58/40/84/615584084.db2.gz WTVKFHJZCRWXPC-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](CC)CC2)CC[NH+]1C ZINC000948389548 615584085 /nfs/dbraw/zinc/58/40/85/615584085.db2.gz WTVKFHJZCRWXPC-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CSCCS1 ZINC000310211461 625426227 /nfs/dbraw/zinc/42/62/27/625426227.db2.gz DJVRUUXSPLFSPN-CYBMUJFWSA-N 2 1 272.483 2.051 20 0 CEADMP CC(C)Cc1ccc(CNC2CC[NH+](C)CC2)cn1 ZINC000892452943 625496233 /nfs/dbraw/zinc/49/62/33/625496233.db2.gz DDKODAUXFYEZLK-UHFFFAOYSA-N 2 1 261.413 2.464 20 0 CEADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000394242810 622771831 /nfs/dbraw/zinc/77/18/31/622771831.db2.gz QZFQFCCWFSEZFS-JYJNAYRXSA-N 2 1 270.461 2.492 20 0 CEADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C(=O)C(C)(C)C2(C)C)C1 ZINC000247028412 622917453 /nfs/dbraw/zinc/91/74/53/622917453.db2.gz RWEOOSJOOHWSNM-UONOGXRCSA-N 2 1 293.455 2.007 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C(=O)C(C)(C)C2(C)C)C1 ZINC000247028412 622917459 /nfs/dbraw/zinc/91/74/59/622917459.db2.gz RWEOOSJOOHWSNM-UONOGXRCSA-N 2 1 293.455 2.007 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2C(=O)C(C)(C)C2(C)C)C1 ZINC000247028412 622917460 /nfs/dbraw/zinc/91/74/60/622917460.db2.gz RWEOOSJOOHWSNM-UONOGXRCSA-N 2 1 293.455 2.007 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2C(=O)C(C)(C)C2(C)C)C1 ZINC000247028412 622917464 /nfs/dbraw/zinc/91/74/64/622917464.db2.gz RWEOOSJOOHWSNM-UONOGXRCSA-N 2 1 293.455 2.007 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806130868 622955937 /nfs/dbraw/zinc/95/59/37/622955937.db2.gz DHHINXMIXLUBSF-ZDUSSCGKSA-N 2 1 297.830 2.280 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806130868 622955940 /nfs/dbraw/zinc/95/59/40/622955940.db2.gz DHHINXMIXLUBSF-ZDUSSCGKSA-N 2 1 297.830 2.280 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000890878958 623034196 /nfs/dbraw/zinc/03/41/96/623034196.db2.gz RUMZWMBLLDQLLX-HNNXBMFYSA-N 2 1 297.487 2.155 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000050247985 623374082 /nfs/dbraw/zinc/37/40/82/623374082.db2.gz HPMMCUYYBNVLOV-NSHDSACASA-N 2 1 259.328 2.155 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]CCCCN2CC[NH+](C)CC2)s1 ZINC000090402662 623683870 /nfs/dbraw/zinc/68/38/70/623683870.db2.gz PKLPSJUQQVJLBN-CYBMUJFWSA-N 2 1 296.484 2.130 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C[C@@H]1C ZINC000933372721 623689881 /nfs/dbraw/zinc/68/98/81/623689881.db2.gz UUQNIAMCVVXPNZ-HRCADAONSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1C ZINC000933372721 623689882 /nfs/dbraw/zinc/68/98/82/623689882.db2.gz UUQNIAMCVVXPNZ-HRCADAONSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@@H]1C ZINC000933372721 623689892 /nfs/dbraw/zinc/68/98/92/623689892.db2.gz UUQNIAMCVVXPNZ-HRCADAONSA-N 2 1 295.471 2.190 20 0 CEADMP C[N@H+]1C[C@@H]2CN([C@H]3CC[NH+](Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000933732422 623981042 /nfs/dbraw/zinc/98/10/42/623981042.db2.gz QSQMVCPMDDCOGJ-QYZOEREBSA-N 2 1 299.462 2.144 20 0 CEADMP CN1C[C@@H]2C[N@@H+]([C@H]3CCN(Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000933732422 623981054 /nfs/dbraw/zinc/98/10/54/623981054.db2.gz QSQMVCPMDDCOGJ-QYZOEREBSA-N 2 1 299.462 2.144 20 0 CEADMP CN1C[C@@H]2C[N@H+]([C@H]3CCN(Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000933732422 623981058 /nfs/dbraw/zinc/98/10/58/623981058.db2.gz QSQMVCPMDDCOGJ-QYZOEREBSA-N 2 1 299.462 2.144 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000933732422 623981063 /nfs/dbraw/zinc/98/10/63/623981063.db2.gz QSQMVCPMDDCOGJ-QYZOEREBSA-N 2 1 299.462 2.144 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCN(Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000933732422 623981069 /nfs/dbraw/zinc/98/10/69/623981069.db2.gz QSQMVCPMDDCOGJ-QYZOEREBSA-N 2 1 299.462 2.144 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCN(Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000933732422 623981071 /nfs/dbraw/zinc/98/10/71/623981071.db2.gz QSQMVCPMDDCOGJ-QYZOEREBSA-N 2 1 299.462 2.144 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCN(Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000933732422 623981073 /nfs/dbraw/zinc/98/10/73/623981073.db2.gz QSQMVCPMDDCOGJ-QYZOEREBSA-N 2 1 299.462 2.144 20 0 CEADMP C[N@@H+](CCN1C[C@@H]2C[NH+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000933733274 623982104 /nfs/dbraw/zinc/98/21/04/623982104.db2.gz HDTJHAMIDGIBNC-ZWKOTPCHSA-N 2 1 287.451 2.002 20 0 CEADMP C[NH+](CCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000933733274 623982106 /nfs/dbraw/zinc/98/21/06/623982106.db2.gz HDTJHAMIDGIBNC-ZWKOTPCHSA-N 2 1 287.451 2.002 20 0 CEADMP C[NH+](CCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000933733274 623982110 /nfs/dbraw/zinc/98/21/10/623982110.db2.gz HDTJHAMIDGIBNC-ZWKOTPCHSA-N 2 1 287.451 2.002 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN(C)Cc1c(C)cccc1C ZINC000933765115 623997377 /nfs/dbraw/zinc/99/73/77/623997377.db2.gz YVOJCRRZBGUCKC-HNNXBMFYSA-N 2 1 264.413 2.048 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+](C)Cc1c(C)cccc1C ZINC000933765115 623997379 /nfs/dbraw/zinc/99/73/79/623997379.db2.gz YVOJCRRZBGUCKC-HNNXBMFYSA-N 2 1 264.413 2.048 20 0 CEADMP COC(=O)C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC000934030227 624174981 /nfs/dbraw/zinc/17/49/81/624174981.db2.gz BSTXPGJQIJLZBU-OLZOCXBDSA-N 2 1 270.417 2.038 20 0 CEADMP COc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc1C ZINC000262038342 624320170 /nfs/dbraw/zinc/32/01/70/624320170.db2.gz XZKSRGOHHCVQSI-UHFFFAOYSA-N 2 1 250.386 2.420 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934701721 624708486 /nfs/dbraw/zinc/70/84/86/624708486.db2.gz TZPRTWNFNIBBBX-MRXNPFEDSA-N 2 1 270.380 2.489 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=[NH2+])NC(C)(C)C ZINC000052041122 624739903 /nfs/dbraw/zinc/73/99/03/624739903.db2.gz YHHLEPPCBCWZHV-GFCCVEGCSA-N 2 1 254.422 2.163 20 0 CEADMP CO[C@]1(C)C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1(C)C ZINC000782183413 625045757 /nfs/dbraw/zinc/04/57/57/625045757.db2.gz KWQKSKHGBSNFPD-GOEBONIOSA-N 2 1 268.445 2.464 20 0 CEADMP CCNc1ccccc1C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000902102858 634463517 /nfs/dbraw/zinc/46/35/17/634463517.db2.gz PIQRHCAMLBYYNY-UHFFFAOYSA-N 2 1 291.439 2.319 20 0 CEADMP Cc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cnc1F ZINC000892624045 627321318 /nfs/dbraw/zinc/32/13/18/627321318.db2.gz YPOWCNPEQIMCSQ-LBPRGKRZSA-N 2 1 265.376 2.351 20 0 CEADMP CCCSC[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000892724782 627726511 /nfs/dbraw/zinc/72/65/11/627726511.db2.gz WPORUMGANBGLLE-CYBMUJFWSA-N 2 1 274.474 2.219 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(N3CC[C@@H](C[N@@H+](C)CC)C3)c12 ZINC000892730985 627733562 /nfs/dbraw/zinc/73/35/62/627733562.db2.gz MFCQGFKRLDAUEC-LBPRGKRZSA-N 2 1 287.411 2.298 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(N3CC[C@@H](C[N@H+](C)CC)C3)c12 ZINC000892730985 627733565 /nfs/dbraw/zinc/73/35/65/627733565.db2.gz MFCQGFKRLDAUEC-LBPRGKRZSA-N 2 1 287.411 2.298 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](CCO)c2ccco2)C1 ZINC000902373306 634605070 /nfs/dbraw/zinc/60/50/70/634605070.db2.gz CEWWIDBQTIDSQM-OLZOCXBDSA-N 2 1 266.385 2.071 20 0 CEADMP Cc1cc(C)cc([C@@H](O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000314049529 627866491 /nfs/dbraw/zinc/86/64/91/627866491.db2.gz TVXWTGJPRCWBLL-ROUUACIJSA-N 2 1 288.435 2.364 20 0 CEADMP Cc1cc(C)cc([C@@H](O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000314049529 627866498 /nfs/dbraw/zinc/86/64/98/627866498.db2.gz TVXWTGJPRCWBLL-ROUUACIJSA-N 2 1 288.435 2.364 20 0 CEADMP Cc1cc(C)cc([C@@H](O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000314049529 627866502 /nfs/dbraw/zinc/86/65/02/627866502.db2.gz TVXWTGJPRCWBLL-ROUUACIJSA-N 2 1 288.435 2.364 20 0 CEADMP Cc1cc(C)cc([C@@H](O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000314049529 627866509 /nfs/dbraw/zinc/86/65/09/627866509.db2.gz TVXWTGJPRCWBLL-ROUUACIJSA-N 2 1 288.435 2.364 20 0 CEADMP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000314240834 627892238 /nfs/dbraw/zinc/89/22/38/627892238.db2.gz RAUQORLQOIXZDH-DLTWYDFYSA-N 2 1 295.471 2.144 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)n[nH]1 ZINC000902359557 634615715 /nfs/dbraw/zinc/61/57/15/634615715.db2.gz DIWCQEUHDXDAAH-WCQYABFASA-N 2 1 264.417 2.017 20 0 CEADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC1([NH3+])CC1 ZINC000902405615 634620502 /nfs/dbraw/zinc/62/05/02/634620502.db2.gz JJEGKQFWJNUSOQ-JTQLQIEISA-N 2 1 254.324 2.367 20 0 CEADMP CC[NH+](CC)CCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925506475 628013634 /nfs/dbraw/zinc/01/36/34/628013634.db2.gz ZTQRJOJGNUHPAC-INIZCTEOSA-N 2 1 263.429 2.398 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC[N@H+]1C ZINC000925513965 628050136 /nfs/dbraw/zinc/05/01/36/628050136.db2.gz CJFNTMVISFLQQK-DZUCGIPZSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCN1C ZINC000925513965 628050137 /nfs/dbraw/zinc/05/01/37/628050137.db2.gz CJFNTMVISFLQQK-DZUCGIPZSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC[N@@H+]1C ZINC000925513965 628050138 /nfs/dbraw/zinc/05/01/38/628050138.db2.gz CJFNTMVISFLQQK-DZUCGIPZSA-N 3 1 279.472 2.227 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC[N@H+]1C ZINC000925513965 628050140 /nfs/dbraw/zinc/05/01/40/628050140.db2.gz CJFNTMVISFLQQK-DZUCGIPZSA-N 3 1 279.472 2.227 20 0 CEADMP COc1cc(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)ccc1C ZINC000925521106 628075978 /nfs/dbraw/zinc/07/59/78/628075978.db2.gz IRNNTNNLKOJLAA-ZFWWWQNUSA-N 2 1 262.397 2.276 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384325 634628050 /nfs/dbraw/zinc/62/80/50/634628050.db2.gz ITHUEUYMARMJCY-UONOGXRCSA-N 2 1 255.450 2.083 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000893201407 628122281 /nfs/dbraw/zinc/12/22/81/628122281.db2.gz UXOPALQUUQBWPT-QGZVFWFLSA-N 3 1 281.488 2.286 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)[C@H]1OC ZINC000893200466 628123306 /nfs/dbraw/zinc/12/33/06/628123306.db2.gz PLUBCKJLKZVBOP-QBPKDAKJSA-N 2 1 298.471 2.136 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000902389865 634630922 /nfs/dbraw/zinc/63/09/22/634630922.db2.gz CCUADNAAJWIDKI-CQSZACIVSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000925536719 628144297 /nfs/dbraw/zinc/14/42/97/628144297.db2.gz QQYZYJKZLHQTKW-RHSMWYFYSA-N 2 1 284.407 2.145 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000902394786 634634342 /nfs/dbraw/zinc/63/43/42/634634342.db2.gz BVGSEQMTKAHORR-IAGOWNOFSA-N 3 1 293.499 2.476 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000902394786 634634348 /nfs/dbraw/zinc/63/43/48/634634348.db2.gz BVGSEQMTKAHORR-IAGOWNOFSA-N 2 1 293.499 2.476 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000902394786 634634351 /nfs/dbraw/zinc/63/43/51/634634351.db2.gz BVGSEQMTKAHORR-IAGOWNOFSA-N 2 1 293.499 2.476 20 0 CEADMP CC[C@@H](O)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309800953 628210302 /nfs/dbraw/zinc/21/03/02/628210302.db2.gz JXKLIUPTZOJYRW-SJORKVTESA-N 2 1 276.424 2.259 20 0 CEADMP C(C1CC1)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925559638 628228420 /nfs/dbraw/zinc/22/84/20/628228420.db2.gz ZDYWSYVGPQXSGY-OKZBNKHCSA-N 2 1 291.483 2.229 20 0 CEADMP C[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)N1CCCCC1 ZINC000925611148 628294095 /nfs/dbraw/zinc/29/40/95/628294095.db2.gz APZCYIOOWKHRCI-FZKCQIBNSA-N 2 1 279.472 2.227 20 0 CEADMP COCC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccco1 ZINC000925632263 628328085 /nfs/dbraw/zinc/32/80/85/628328085.db2.gz QGLPBBSDRRMRLE-YUTCNCBUSA-N 2 1 264.369 2.217 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925636107 628332622 /nfs/dbraw/zinc/33/26/22/628332622.db2.gz QRBPGARHQDREHW-NVXWUHKLSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)C1CCOCC1 ZINC000902428857 634650033 /nfs/dbraw/zinc/65/00/33/634650033.db2.gz BKRXEKXEPRNMQW-OCCSQVGLSA-N 2 1 254.418 2.027 20 0 CEADMP C[C@@H]1[C@H]([NH+](C)C)CCN1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000931044649 628344161 /nfs/dbraw/zinc/34/41/61/628344161.db2.gz VIZJRKGDHWCBKE-BPQIPLTHSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@](O)(C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCCCC1 ZINC000925657026 628364629 /nfs/dbraw/zinc/36/46/29/628364629.db2.gz HNZZRMMTGICRSR-HUUCEWRRSA-N 2 1 266.429 2.192 20 0 CEADMP CC1(C)C[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2N)C[C@@H]([NH3+])C1 ZINC000902429882 634651279 /nfs/dbraw/zinc/65/12/79/634651279.db2.gz AXUPGYLXFOPGBS-OCVGTWLNSA-N 2 1 273.424 2.107 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CCC(C)(C)CO1 ZINC000902429672 634651623 /nfs/dbraw/zinc/65/16/23/634651623.db2.gz MZABWCRLZJGITE-HZSPNIEDSA-N 2 1 254.418 2.169 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925685993 628491923 /nfs/dbraw/zinc/49/19/23/628491923.db2.gz PBDBLNWMZVVDHM-XUWVNRHRSA-N 3 1 279.472 2.085 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925686532 628492167 /nfs/dbraw/zinc/49/21/67/628492167.db2.gz WDCPVGYUJCYVFO-CQSZACIVSA-N 2 1 265.445 2.125 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925686531 628492335 /nfs/dbraw/zinc/49/23/35/628492335.db2.gz WDCPVGYUJCYVFO-AWEZNQCLSA-N 2 1 265.445 2.125 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000925706553 628552979 /nfs/dbraw/zinc/55/29/79/628552979.db2.gz LPGXKEVTKPIZHZ-ZFWWWQNUSA-N 2 1 265.445 2.124 20 0 CEADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000093232470 628609936 /nfs/dbraw/zinc/60/99/36/628609936.db2.gz FJHYXQFUTCKLNP-LLVKDONJSA-N 2 1 256.777 2.308 20 0 CEADMP C[C@@H]1CC[N@H+](CCOc2ccccc2F)C[C@H]1C[NH3+] ZINC000253182685 628645570 /nfs/dbraw/zinc/64/55/70/628645570.db2.gz GAMYYYQQRRXIKM-CHWSQXEVSA-N 2 1 266.360 2.121 20 0 CEADMP C[C@@H]1CC[N@@H+](CCOc2ccccc2F)C[C@H]1C[NH3+] ZINC000253182685 628645573 /nfs/dbraw/zinc/64/55/73/628645573.db2.gz GAMYYYQQRRXIKM-CHWSQXEVSA-N 2 1 266.360 2.121 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000902452087 634674382 /nfs/dbraw/zinc/67/43/82/634674382.db2.gz ZMXUPNUDXYFMFY-DJIMGWMZSA-N 2 1 287.451 2.237 20 0 CEADMP C[N@H+](Cc1ccn(-c2ccccc2)n1)CC1CC[NH2+]CC1 ZINC000094024550 628745185 /nfs/dbraw/zinc/74/51/85/628745185.db2.gz MZNZMSVTNFTQGG-UHFFFAOYSA-N 2 1 284.407 2.304 20 0 CEADMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c(Cl)n1 ZINC000925768280 628760654 /nfs/dbraw/zinc/76/06/54/628760654.db2.gz ZMXQKNZYXRWVBV-QWRGUYRKSA-N 2 1 253.777 2.131 20 0 CEADMP COc1ccc(C[NH2+]CC2([NH3+])CC2)cc1Br ZINC000259160185 628794160 /nfs/dbraw/zinc/79/41/60/628794160.db2.gz SYTWILPMLYAMLP-UHFFFAOYSA-N 2 1 285.185 2.039 20 0 CEADMP COc1ccc(F)cc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000925775628 628795691 /nfs/dbraw/zinc/79/56/91/628795691.db2.gz RCLVUNCSCXXALB-SMDDNHRTSA-N 2 1 266.360 2.107 20 0 CEADMP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925781207 628807680 /nfs/dbraw/zinc/80/76/80/628807680.db2.gz ILPMIVTXJVAROZ-RYUDHWBXSA-N 2 1 269.339 2.285 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(CC)CC ZINC000902471005 634688088 /nfs/dbraw/zinc/68/80/88/634688088.db2.gz IWNUZJNMEZAXAU-QRTUWBSPSA-N 2 1 266.429 2.453 20 0 CEADMP C[C@H](Cc1cccs1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925792356 628839138 /nfs/dbraw/zinc/83/91/38/628839138.db2.gz GDJYBVCDHODKPI-KGLIPLIRSA-N 2 1 294.464 2.427 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000925828705 628920137 /nfs/dbraw/zinc/92/01/37/628920137.db2.gz HPYMUYUCLHYMIW-WHOHXGKFSA-N 2 1 280.334 2.217 20 0 CEADMP CC1(C)[C@H]([NH2+]C2CC[NH+](CCO)CC2)[C@@H]2CCCC[C@@H]21 ZINC000925833779 628929158 /nfs/dbraw/zinc/92/91/58/628929158.db2.gz XYXRNLHOYSUMIB-OWCLPIDISA-N 2 1 280.456 2.248 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261573132 628939836 /nfs/dbraw/zinc/93/98/36/628939836.db2.gz UVHSMTBJINRRDW-RCBQFDQVSA-N 2 1 261.413 2.451 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925845665 628948031 /nfs/dbraw/zinc/94/80/31/628948031.db2.gz ZMUPARUXPSVVSU-NVXWUHKLSA-N 3 1 279.472 2.371 20 0 CEADMP C[N@@H+](Cc1ccncc1)Cc1cccc2c1CC[NH2+]C2 ZINC000123902355 628953422 /nfs/dbraw/zinc/95/34/22/628953422.db2.gz VIJUXUXXHMEYQG-UHFFFAOYSA-N 2 1 267.376 2.359 20 0 CEADMP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)C2)n1 ZINC000925874402 628974795 /nfs/dbraw/zinc/97/47/95/628974795.db2.gz YZMOUDKYQNIWDV-FRRDWIJNSA-N 2 1 290.411 2.142 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000925879423 628979151 /nfs/dbraw/zinc/97/91/51/628979151.db2.gz DMEZZAVIESHQDP-RKTXRCNFSA-N 3 1 273.424 2.197 20 0 CEADMP CCc1onc(C)c1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000925889546 628985343 /nfs/dbraw/zinc/98/53/43/628985343.db2.gz KROLOXZTCQDNFP-PWSUYJOCSA-N 2 1 251.374 2.023 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CC[C@@H](OC)C2)C1 ZINC000821381349 634703439 /nfs/dbraw/zinc/70/34/39/634703439.db2.gz XBLHLDQVVJZGLE-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](OC)C2)C1 ZINC000821381349 634703443 /nfs/dbraw/zinc/70/34/43/634703443.db2.gz XBLHLDQVVJZGLE-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](OC)C2)C1 ZINC000821381349 634703447 /nfs/dbraw/zinc/70/34/47/634703447.db2.gz XBLHLDQVVJZGLE-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCOc1cccc(F)c1 ZINC000902516957 634710381 /nfs/dbraw/zinc/71/03/81/634710381.db2.gz ICDKIQHXCXFSIY-CQSZACIVSA-N 2 1 266.360 2.325 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(N)c2)[C@H](C)C1 ZINC000261718345 629149511 /nfs/dbraw/zinc/14/95/11/629149511.db2.gz QTODPYJKQUKLPR-CZUORRHYSA-N 2 1 261.413 2.431 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(N)c2)[C@H](C)C1 ZINC000261718345 629149514 /nfs/dbraw/zinc/14/95/14/629149514.db2.gz QTODPYJKQUKLPR-CZUORRHYSA-N 2 1 261.413 2.431 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(N)c2)[C@H](C)C1 ZINC000261718345 629149520 /nfs/dbraw/zinc/14/95/20/629149520.db2.gz QTODPYJKQUKLPR-CZUORRHYSA-N 2 1 261.413 2.431 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCSCc2ccccc2)C1 ZINC000261757103 629183780 /nfs/dbraw/zinc/18/37/80/629183780.db2.gz CRJIDTBBZBROMU-CQSZACIVSA-N 2 1 250.411 2.200 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc3onc(C)c3c2)C1 ZINC000894200244 629202882 /nfs/dbraw/zinc/20/28/82/629202882.db2.gz KLUHTJLUDCNQBM-CYBMUJFWSA-N 2 1 288.395 2.353 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc3onc(C)c3c2)C1 ZINC000894200244 629202883 /nfs/dbraw/zinc/20/28/83/629202883.db2.gz KLUHTJLUDCNQBM-CYBMUJFWSA-N 2 1 288.395 2.353 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261807869 629249403 /nfs/dbraw/zinc/24/94/03/629249403.db2.gz ZJADESLWKMBIRI-CQSZACIVSA-N 2 1 287.407 2.089 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000924917303 629252648 /nfs/dbraw/zinc/25/26/48/629252648.db2.gz PHIFDRJTPQCGKW-XIRDDKMYSA-N 2 1 292.471 2.451 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000924917303 629252650 /nfs/dbraw/zinc/25/26/50/629252650.db2.gz PHIFDRJTPQCGKW-XIRDDKMYSA-N 2 1 292.471 2.451 20 0 CEADMP CC(C)n1nccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261835867 629265825 /nfs/dbraw/zinc/26/58/25/629265825.db2.gz JKVHNBHKMISALZ-CFVMTHIKSA-N 2 1 262.401 2.023 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2COC[C@H]2C)c1 ZINC000924958778 629296501 /nfs/dbraw/zinc/29/65/01/629296501.db2.gz LUDJCHYHNAXPTN-CZUORRHYSA-N 2 1 262.397 2.263 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2COC[C@H]2C)c1 ZINC000924958777 629296911 /nfs/dbraw/zinc/29/69/11/629296911.db2.gz LUDJCHYHNAXPTN-CJNGLKHVSA-N 2 1 262.397 2.263 20 0 CEADMP Cc1ccc(C)c(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000261910160 629312231 /nfs/dbraw/zinc/31/22/31/629312231.db2.gz XYDHCNHWTWPRTJ-GOSISDBHSA-N 2 1 287.451 2.425 20 0 CEADMP CCc1cnc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000261922282 629321910 /nfs/dbraw/zinc/32/19/10/629321910.db2.gz BSPIMXIAGNJIMV-UHFFFAOYSA-N 2 1 265.426 2.281 20 0 CEADMP C[C@@H]1CC[C@@H](C)C1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000925023097 629369490 /nfs/dbraw/zinc/36/94/90/629369490.db2.gz KSXRSWWXVJJEJF-RBSFLKMASA-N 2 1 268.445 2.248 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2cnc3onc(C)c3c2)CC1 ZINC000894382830 629415523 /nfs/dbraw/zinc/41/55/23/629415523.db2.gz AMAOKPOHMYSRJQ-UHFFFAOYSA-N 2 1 288.395 2.495 20 0 CEADMP CC[C@H]1C[C@@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)CCO1 ZINC000261995801 629417728 /nfs/dbraw/zinc/41/77/28/629417728.db2.gz KSNPDCUUKKLHJP-GJZGRUSLSA-N 2 1 266.429 2.267 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000261999188 629420509 /nfs/dbraw/zinc/42/05/09/629420509.db2.gz OWVANPLXFCAFPG-UHFFFAOYSA-N 2 1 290.367 2.151 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000894463751 629474225 /nfs/dbraw/zinc/47/42/25/629474225.db2.gz DMFNADOCZQWOME-UHFFFAOYSA-N 2 1 276.428 2.184 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CC3(Cl)Cl)C2)C1 ZINC000795322110 629515737 /nfs/dbraw/zinc/51/57/37/629515737.db2.gz KTUWZLJMDHVNIW-WDEREUQCSA-N 2 1 263.212 2.208 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CC3(Cl)Cl)C2)C1 ZINC000795322110 629515741 /nfs/dbraw/zinc/51/57/41/629515741.db2.gz KTUWZLJMDHVNIW-WDEREUQCSA-N 2 1 263.212 2.208 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CC3(Cl)Cl)C2)C1 ZINC000795322110 629515746 /nfs/dbraw/zinc/51/57/46/629515746.db2.gz KTUWZLJMDHVNIW-WDEREUQCSA-N 2 1 263.212 2.208 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CC3(Cl)Cl)C2)C1 ZINC000795322110 629515754 /nfs/dbraw/zinc/51/57/54/629515754.db2.gz KTUWZLJMDHVNIW-WDEREUQCSA-N 2 1 263.212 2.208 20 0 CEADMP Cn1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1C1CC1 ZINC000894623727 629562809 /nfs/dbraw/zinc/56/28/09/629562809.db2.gz QNSPUEDHNZODTE-QGZVFWFLSA-N 2 1 288.439 2.215 20 0 CEADMP Cn1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1C1CC1 ZINC000894623727 629562815 /nfs/dbraw/zinc/56/28/15/629562815.db2.gz QNSPUEDHNZODTE-QGZVFWFLSA-N 2 1 288.439 2.215 20 0 CEADMP Cn1ncc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1C1CC1 ZINC000894623727 629562821 /nfs/dbraw/zinc/56/28/21/629562821.db2.gz QNSPUEDHNZODTE-QGZVFWFLSA-N 2 1 288.439 2.215 20 0 CEADMP Cn1ncc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1C1CC1 ZINC000894623727 629562824 /nfs/dbraw/zinc/56/28/24/629562824.db2.gz QNSPUEDHNZODTE-QGZVFWFLSA-N 2 1 288.439 2.215 20 0 CEADMP Cc1cc(N)nc(NC[C@H]2CC[N@@H+]2C2CCCCC2)[nH+]1 ZINC000894719949 629606767 /nfs/dbraw/zinc/60/67/67/629606767.db2.gz RHLBJAHZVFWZOP-CYBMUJFWSA-N 2 1 275.400 2.186 20 0 CEADMP Cc1cc(N)nc(NC[C@H]2CC[N@H+]2C2CCCCC2)[nH+]1 ZINC000894719949 629606770 /nfs/dbraw/zinc/60/67/70/629606770.db2.gz RHLBJAHZVFWZOP-CYBMUJFWSA-N 2 1 275.400 2.186 20 0 CEADMP COC(=O)[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)CC(C)C ZINC000894791403 629637211 /nfs/dbraw/zinc/63/72/11/629637211.db2.gz SARJOYKLDQKSJE-CYBMUJFWSA-N 2 1 282.428 2.038 20 0 CEADMP CCc1cc(N2CCC(C)([NH+](C)C)CC2)nc(C)[nH+]1 ZINC000894848123 629686780 /nfs/dbraw/zinc/68/67/80/629686780.db2.gz IKWHILGCWLVNME-UHFFFAOYSA-N 2 1 262.401 2.268 20 0 CEADMP Cc1ccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)cn1 ZINC000796290782 629833534 /nfs/dbraw/zinc/83/35/34/629833534.db2.gz CDHUIGLQDYQAHW-UHFFFAOYSA-N 2 1 290.436 2.240 20 0 CEADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC2(CCCC2)O1 ZINC000895122291 629924808 /nfs/dbraw/zinc/92/48/08/629924808.db2.gz CFQHTMAXBNIGEF-AWEZNQCLSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)n2)[C@@H]2CCC[C@H]21 ZINC000796837101 630029698 /nfs/dbraw/zinc/02/96/98/630029698.db2.gz NLTFLBPBVZWGMA-MELADBBJSA-N 2 1 263.360 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)n2)[C@@H]2CCC[C@H]21 ZINC000796837101 630029706 /nfs/dbraw/zinc/02/97/06/630029706.db2.gz NLTFLBPBVZWGMA-MELADBBJSA-N 2 1 263.360 2.183 20 0 CEADMP Cc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)cnc1Cl ZINC000895298201 630086168 /nfs/dbraw/zinc/08/61/68/630086168.db2.gz UVVPCPOHUUBGKB-LLVKDONJSA-N 2 1 255.793 2.473 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C)[C@@H]1CCOC1 ZINC000895381672 630152849 /nfs/dbraw/zinc/15/28/49/630152849.db2.gz VFXVMQFFZUWLFA-YLFCFFPRSA-N 2 1 298.471 2.090 20 0 CEADMP C[NH+](C)C1(CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CCCCC1 ZINC000895439065 630190011 /nfs/dbraw/zinc/19/00/11/630190011.db2.gz UMSYBJRUKNPVKO-CQSZACIVSA-N 2 1 295.471 2.240 20 0 CEADMP c1cc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c(C2CC2)c[nH+]1 ZINC000895563894 630250975 /nfs/dbraw/zinc/25/09/75/630250975.db2.gz FLMBEDQMBDDWBJ-HOTGVXAUSA-N 2 1 289.448 2.373 20 0 CEADMP FC[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000895567045 630257863 /nfs/dbraw/zinc/25/78/63/630257863.db2.gz DFOSPVICDKOWLF-LBPRGKRZSA-N 2 1 260.316 2.059 20 0 CEADMP Cc1cc(CNC[C@H]2CCCC[N@H+](C)C2)cnc1F ZINC000895587403 630261914 /nfs/dbraw/zinc/26/19/14/630261914.db2.gz RJYCBWGNTCRFRG-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cnc1F ZINC000895587403 630261916 /nfs/dbraw/zinc/26/19/16/630261916.db2.gz RJYCBWGNTCRFRG-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cnc1F ZINC000895587403 630261918 /nfs/dbraw/zinc/26/19/18/630261918.db2.gz RJYCBWGNTCRFRG-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP CCc1onc(C)c1CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC000895587397 630262249 /nfs/dbraw/zinc/26/22/49/630262249.db2.gz REPVHMHPSXSSTA-ZDUSSCGKSA-N 2 1 265.401 2.367 20 0 CEADMP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000895601365 630266670 /nfs/dbraw/zinc/26/66/70/630266670.db2.gz YEQCARMSOKYCPL-OAHLLOKOSA-N 2 1 295.471 2.096 20 0 CEADMP COc1ccc2[nH+]ccc(N[C@@H]3CC[N@@H+](C)[C@H]3C)c2c1 ZINC000895734167 630324527 /nfs/dbraw/zinc/32/45/27/630324527.db2.gz JDBURZKEYOBKHP-SMDDNHRTSA-N 2 1 271.364 2.170 20 0 CEADMP Cc1[nH+]ccc(N[C@@H]2CC[N@@H+](C)[C@H]2C)c1Br ZINC000895733956 630324694 /nfs/dbraw/zinc/32/46/94/630324694.db2.gz IQTPHRGRTPLEHI-VHSXEESVSA-N 2 1 284.201 2.079 20 0 CEADMP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)CC[N@H+]2C1 ZINC000902752246 634809410 /nfs/dbraw/zinc/80/94/10/634809410.db2.gz IJWRYLFNGLZNKC-CWOLKXNVSA-N 2 1 276.424 2.016 20 0 CEADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000895924375 630404718 /nfs/dbraw/zinc/40/47/18/630404718.db2.gz QFGQSWURYPTQFU-HNNXBMFYSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+](C)Cc1ccc(-c2noc(C3([NH+](C)C)CC3)n2)cc1 ZINC000895965664 630420659 /nfs/dbraw/zinc/42/06/59/630420659.db2.gz FVPHZFJAHJDREN-UHFFFAOYSA-N 2 1 286.379 2.349 20 0 CEADMP CN(C)CC[C@H]([NH2+]C1CC(n2cccn2)C1)c1cccnc1 ZINC000896717967 630648861 /nfs/dbraw/zinc/64/88/61/630648861.db2.gz ZAAGWEGRONRURW-JCYILVPMSA-N 2 1 299.422 2.264 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CS[C@H](C(C)C)C1)C[NH+](C)C ZINC000896880020 630699127 /nfs/dbraw/zinc/69/91/27/630699127.db2.gz LFBDJWJOWWKPFH-MJBXVCDLSA-N 2 1 274.474 2.073 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1)C[NH+](C)C ZINC000896879932 630699474 /nfs/dbraw/zinc/69/94/74/630699474.db2.gz IYYAURLANUOKCE-MCIONIFRSA-N 2 1 288.501 2.463 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000798002511 630799784 /nfs/dbraw/zinc/79/97/84/630799784.db2.gz JIWONTUPNIRGTD-HIFRSBDPSA-N 2 1 254.418 2.144 20 0 CEADMP C[NH2+]CCC1CC[NH+](C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904301352 635554006 /nfs/dbraw/zinc/55/40/06/635554006.db2.gz LBEUCUXCEIZGTG-OAHLLOKOSA-N 3 1 269.477 2.462 20 0 CEADMP C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@H]1CCCOC1 ZINC000904317581 635564440 /nfs/dbraw/zinc/56/44/40/635564440.db2.gz HSSZLKSRTVRMBQ-ZIAGYGMSSA-N 2 1 256.434 2.498 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCC[C@H](CCO)C1 ZINC000904318929 635566012 /nfs/dbraw/zinc/56/60/12/635566012.db2.gz ZRQJFCDBVMIQOU-ZIAGYGMSSA-N 2 1 256.434 2.234 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@H](CCO)C1 ZINC000904318929 635566014 /nfs/dbraw/zinc/56/60/14/635566014.db2.gz ZRQJFCDBVMIQOU-ZIAGYGMSSA-N 2 1 256.434 2.234 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000904334264 635577543 /nfs/dbraw/zinc/57/75/43/635577543.db2.gz QMPUHYCONXKUDP-UONOGXRCSA-N 3 1 255.450 2.201 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000904334264 635577547 /nfs/dbraw/zinc/57/75/47/635577547.db2.gz QMPUHYCONXKUDP-UONOGXRCSA-N 3 1 255.450 2.201 20 0 CEADMP CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000985458315 631089152 /nfs/dbraw/zinc/08/91/52/631089152.db2.gz BPBJPUMGJCUEKM-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000985458315 631089157 /nfs/dbraw/zinc/08/91/57/631089157.db2.gz BPBJPUMGJCUEKM-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000985458315 631089160 /nfs/dbraw/zinc/08/91/60/631089160.db2.gz BPBJPUMGJCUEKM-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H](C(=O)N1CCC([N@@H+](C)CC2CCC2)CC1)[NH+](C)C ZINC000985497101 631108683 /nfs/dbraw/zinc/10/86/83/631108683.db2.gz SFMWUIYXADIELX-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897321045 631112640 /nfs/dbraw/zinc/11/26/40/631112640.db2.gz IFCMTDLEDWOFRA-UKRRQHHQSA-N 2 1 295.471 2.048 20 0 CEADMP Cc1cc([C@](C)(O)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)o1 ZINC000305296840 631113415 /nfs/dbraw/zinc/11/34/15/631113415.db2.gz GRQIXGHOJUXZSE-ZMSDIMECSA-N 2 1 292.423 2.320 20 0 CEADMP COc1c(C)cc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1C ZINC000904315778 635563228 /nfs/dbraw/zinc/56/32/28/635563228.db2.gz DXEWOSIJGQPVDU-GASCZTMLSA-N 2 1 262.397 2.481 20 0 CEADMP CC[C@@H](C[C@@H](C)CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925187745 631160385 /nfs/dbraw/zinc/16/03/85/631160385.db2.gz NFGPTAJBIPCXJM-OZSLIKBDSA-N 2 1 298.471 2.015 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)[C@@H](C)C1 ZINC000897507888 631596970 /nfs/dbraw/zinc/59/69/70/631596970.db2.gz GOLDVERVPOBJFG-TUUVXOQKSA-N 2 1 266.429 2.264 20 0 CEADMP CCC(CC)NC(=[NH2+])NCC[N@H+]1CCCC[C@H]1C ZINC000864453848 631657726 /nfs/dbraw/zinc/65/77/26/631657726.db2.gz PWMQBIVUXHVMED-GFCCVEGCSA-N 2 1 254.422 2.163 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4nccnc4c3)C[C@]2(C)C1 ZINC000897620484 631831158 /nfs/dbraw/zinc/83/11/58/631831158.db2.gz QBITWOIDXDQOCM-PBHICJAKSA-N 2 1 282.391 2.013 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc4nccnc4c3)C[C@]2(C)C1 ZINC000897620484 631831159 /nfs/dbraw/zinc/83/11/59/631831159.db2.gz QBITWOIDXDQOCM-PBHICJAKSA-N 2 1 282.391 2.013 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc4nccnc4c3)C[C@]2(C)C1 ZINC000897620484 631831162 /nfs/dbraw/zinc/83/11/62/631831162.db2.gz QBITWOIDXDQOCM-PBHICJAKSA-N 2 1 282.391 2.013 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4nccnc4c3)C[C@]2(C)C1 ZINC000897620484 631831165 /nfs/dbraw/zinc/83/11/65/631831165.db2.gz QBITWOIDXDQOCM-PBHICJAKSA-N 2 1 282.391 2.013 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCO)C2CCCC2)CC1(C)C ZINC000897881794 631958690 /nfs/dbraw/zinc/95/86/90/631958690.db2.gz ALYOGGIHNHDLFE-LSDHHAIUSA-N 2 1 268.445 2.390 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)s1 ZINC000897957317 631990353 /nfs/dbraw/zinc/99/03/53/631990353.db2.gz BSBVNDWYMXQUBL-WCFLWFBJSA-N 2 1 265.426 2.483 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@]23C[C@H]2COC32CCC2)CC[N@H+]1C ZINC000898061290 632037487 /nfs/dbraw/zinc/03/74/87/632037487.db2.gz BWMBJFOGAKIZID-BYNSBNAKSA-N 2 1 264.413 2.018 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccnc2C)[C@@H](C)C1 ZINC000898252740 632123183 /nfs/dbraw/zinc/12/31/83/632123183.db2.gz GZXODEJJDVTBOY-XJKSGUPXSA-N 2 1 261.413 2.252 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989740671 632235758 /nfs/dbraw/zinc/23/57/58/632235758.db2.gz GDWUSOHGECKTRP-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP Cn1c(Cl)nc(Cl)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000841058630 632360953 /nfs/dbraw/zinc/36/09/53/632360953.db2.gz UPADHPGUMAMCPP-SFYZADRCSA-N 2 1 277.199 2.086 20 0 CEADMP Fc1ccc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000811468475 632388761 /nfs/dbraw/zinc/38/87/61/632388761.db2.gz SQUPYHPHOZBPGX-TXEJJXNPSA-N 2 1 268.763 2.173 20 0 CEADMP Fc1ccc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000811468475 632388764 /nfs/dbraw/zinc/38/87/64/632388764.db2.gz SQUPYHPHOZBPGX-TXEJJXNPSA-N 2 1 268.763 2.173 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H](C)Cc1ccsc1)C[NH+](C)C ZINC000926965098 632394642 /nfs/dbraw/zinc/39/46/42/632394642.db2.gz OVGOBBKJQCNLIO-JSGCOSHPSA-N 2 1 270.442 2.235 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC3(CCOCC3)O2)[C@H](C)C1 ZINC000927017708 632417059 /nfs/dbraw/zinc/41/70/59/632417059.db2.gz YXNJGGKSXMJGOX-OAGGEKHMSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCc2cccc3c2OCCO3)CC[N@H+]1C ZINC000927094396 632459029 /nfs/dbraw/zinc/45/90/29/632459029.db2.gz VKEIDWSBAUGTFY-ZFWWWQNUSA-N 2 1 290.407 2.073 20 0 CEADMP Cc1ccc([C@@H](O)C[N@@H+]2CCC23CC[NH+](C)CC3)cc1 ZINC000899909390 633085066 /nfs/dbraw/zinc/08/50/66/633085066.db2.gz BAYUFQYAGZAHNA-INIZCTEOSA-N 2 1 274.408 2.199 20 0 CEADMP CC[C@H](C)C[C@@H]([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000900017281 633179124 /nfs/dbraw/zinc/17/91/24/633179124.db2.gz BBKCSTGSBROCIW-CMPLNLGQSA-N 2 1 266.389 2.048 20 0 CEADMP Cn1ncc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1Cl ZINC000816610954 633450566 /nfs/dbraw/zinc/45/05/66/633450566.db2.gz DMUHFGAEFUGRAE-ZDUSSCGKSA-N 2 1 296.846 2.237 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000817891047 633753022 /nfs/dbraw/zinc/75/30/22/633753022.db2.gz FCXQCSSCTGPITN-NEPJUHHUSA-N 2 1 253.777 2.485 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000817891902 633754444 /nfs/dbraw/zinc/75/44/44/633754444.db2.gz PKNYLEXTXYHWPS-SQWLQELKSA-N 2 1 274.408 2.358 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc(Cl)nc1)[C@@H]1CCCC[NH2+]1 ZINC000817901658 633762444 /nfs/dbraw/zinc/76/24/44/633762444.db2.gz DIQQWELEHPQFAF-YPMHNXCESA-N 2 1 267.804 2.398 20 0 CEADMP C[C@H]([NH2+]CCc1ccc(Cl)nc1)[C@H]1CCCC[NH2+]1 ZINC000817901657 633763210 /nfs/dbraw/zinc/76/32/10/633763210.db2.gz DIQQWELEHPQFAF-WCQYABFASA-N 2 1 267.804 2.398 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1c[nH+]ccc1N ZINC000817913848 633772197 /nfs/dbraw/zinc/77/21/97/633772197.db2.gz NASWOYJJOOAESL-UGSOOPFHSA-N 2 1 297.402 2.369 20 0 CEADMP C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000817914368 633773316 /nfs/dbraw/zinc/77/33/16/633773316.db2.gz YZJLCRHSABBUOC-XJFOESAGSA-N 2 1 266.385 2.212 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)[C@@H]1CCC[NH2+]1 ZINC000817917689 633777190 /nfs/dbraw/zinc/77/71/90/633777190.db2.gz CLYSEZPBFRUGBZ-KFWWJZLASA-N 2 1 282.428 2.182 20 0 CEADMP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)[C@H](O)c1ccccc1 ZINC000817927835 633782201 /nfs/dbraw/zinc/78/22/01/633782201.db2.gz QVQCGLTZGQXYNH-MXASKKJJSA-N 2 1 276.424 2.475 20 0 CEADMP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)[C@@H](O)c1ccccc1 ZINC000817927839 633782580 /nfs/dbraw/zinc/78/25/80/633782580.db2.gz QVQCGLTZGQXYNH-SIXLDLHFSA-N 2 1 276.424 2.475 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)c1cc(C)cc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000817929314 633784868 /nfs/dbraw/zinc/78/48/68/633784868.db2.gz GBHRHWRJXQYUJP-YESZJQIVSA-N 2 1 276.424 2.457 20 0 CEADMP COCc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)ccc1OC ZINC000817960062 633803251 /nfs/dbraw/zinc/80/32/51/633803251.db2.gz WUERGJYIOJSEJJ-WFASDCNBSA-N 2 1 280.412 2.476 20 0 CEADMP COCc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)ccc1OC ZINC000817960057 633803387 /nfs/dbraw/zinc/80/33/87/633803387.db2.gz WUERGJYIOJSEJJ-DOMZBBRYSA-N 2 1 280.412 2.476 20 0 CEADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000817964937 633805808 /nfs/dbraw/zinc/80/58/08/633805808.db2.gz JUJHUNPCUMPOTF-XHDPSFHLSA-N 2 1 289.379 2.031 20 0 CEADMP Cc1c([C@H](C)[NH2+]CC2C[NH2+]C2)cnn1-c1ccccc1 ZINC000817965137 633806309 /nfs/dbraw/zinc/80/63/09/633806309.db2.gz MIWRYIVNABYYNJ-LBPRGKRZSA-N 2 1 270.380 2.051 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(N2CCOC2=O)cc1 ZINC000817964615 633806650 /nfs/dbraw/zinc/80/66/50/633806650.db2.gz FYPLNBDSQYMEDD-GFCCVEGCSA-N 2 1 289.379 2.175 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817980188 633822938 /nfs/dbraw/zinc/82/29/38/633822938.db2.gz SFWMBMMOUHMLOC-TZMCWYRMSA-N 2 1 291.395 2.421 20 0 CEADMP Cc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)n(C)n1 ZINC000817985388 633828145 /nfs/dbraw/zinc/82/81/45/633828145.db2.gz JPEZPVCDCTYAOL-OLZOCXBDSA-N 2 1 262.401 2.054 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000818965061 634018420 /nfs/dbraw/zinc/01/84/20/634018420.db2.gz CTRDSXNWWUPZJE-PBHICJAKSA-N 2 1 287.407 2.459 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)c1ccccc1F ZINC000818966890 634019647 /nfs/dbraw/zinc/01/96/47/634019647.db2.gz VKMOMKXXUMNQFF-MLGOLLRUSA-N 2 1 291.370 2.290 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000818981191 634027487 /nfs/dbraw/zinc/02/74/87/634027487.db2.gz SADXHNTVTRLKMR-MLGOLLRUSA-N 2 1 298.377 2.320 20 0 CEADMP Cc1ccc(NCCC[NH2+]CC2(O)CCCCC2)[nH+]c1 ZINC000819129949 634076949 /nfs/dbraw/zinc/07/69/49/634076949.db2.gz PYXZQKUMRWJLEH-UHFFFAOYSA-N 2 1 277.412 2.477 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)C1=CC[N@@H+](C)CC1 ZINC000819220917 634108374 /nfs/dbraw/zinc/10/83/74/634108374.db2.gz TYTIDDCAFKGAQH-BZNIZROVSA-N 2 1 296.361 2.238 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000819356776 634151428 /nfs/dbraw/zinc/15/14/28/634151428.db2.gz ZLTWIBXJKNHCIO-BTFYYFJDSA-N 2 1 292.398 2.382 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902793841 634836558 /nfs/dbraw/zinc/83/65/58/634836558.db2.gz NFKUPDZGEPWZGB-IAGOWNOFSA-N 2 1 293.499 2.428 20 0 CEADMP CC[N@H+]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903074875 634957066 /nfs/dbraw/zinc/95/70/66/634957066.db2.gz XJVYJONQHOBXIG-YTTRVJOFSA-N 3 1 277.456 2.076 20 0 CEADMP CC[NH+]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903074875 634957068 /nfs/dbraw/zinc/95/70/68/634957068.db2.gz XJVYJONQHOBXIG-YTTRVJOFSA-N 3 1 277.456 2.076 20 0 CEADMP CC[NH+]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903074875 634957071 /nfs/dbraw/zinc/95/70/71/634957071.db2.gz XJVYJONQHOBXIG-YTTRVJOFSA-N 3 1 277.456 2.076 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903074875 634957072 /nfs/dbraw/zinc/95/70/72/634957072.db2.gz XJVYJONQHOBXIG-YTTRVJOFSA-N 3 1 277.456 2.076 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903074875 634957074 /nfs/dbraw/zinc/95/70/74/634957074.db2.gz XJVYJONQHOBXIG-YTTRVJOFSA-N 3 1 277.456 2.076 20 0 CEADMP CC[NH+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903074875 634957077 /nfs/dbraw/zinc/95/70/77/634957077.db2.gz XJVYJONQHOBXIG-YTTRVJOFSA-N 3 1 277.456 2.076 20 0 CEADMP CC[NH+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903074875 634957079 /nfs/dbraw/zinc/95/70/79/634957079.db2.gz XJVYJONQHOBXIG-YTTRVJOFSA-N 3 1 277.456 2.076 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCO[C@]23CCOC3)C1 ZINC000903068311 634965010 /nfs/dbraw/zinc/96/50/10/634965010.db2.gz BNWUKJUELXVZRC-IKGGRYGDSA-N 2 1 296.455 2.036 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[NH+]3CCC[C@H]3C1)C2 ZINC000903071464 634966707 /nfs/dbraw/zinc/96/67/07/634966707.db2.gz BTXGCACKAYTNFN-BRJPPFPTSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000903071464 634966709 /nfs/dbraw/zinc/96/67/09/634966709.db2.gz BTXGCACKAYTNFN-BRJPPFPTSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000903071464 634966710 /nfs/dbraw/zinc/96/67/10/634966710.db2.gz BTXGCACKAYTNFN-BRJPPFPTSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[NH+]3CCC[C@H]3C1)C2 ZINC000903071464 634966712 /nfs/dbraw/zinc/96/67/12/634966712.db2.gz BTXGCACKAYTNFN-BRJPPFPTSA-N 3 1 289.467 2.361 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[NH+]3CCC[C@H]3C1)C2 ZINC000903071464 634966714 /nfs/dbraw/zinc/96/67/14/634966714.db2.gz BTXGCACKAYTNFN-BRJPPFPTSA-N 3 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000903071464 634966715 /nfs/dbraw/zinc/96/67/15/634966715.db2.gz BTXGCACKAYTNFN-BRJPPFPTSA-N 3 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000903071464 634966717 /nfs/dbraw/zinc/96/67/17/634966717.db2.gz BTXGCACKAYTNFN-BRJPPFPTSA-N 3 1 289.467 2.361 20 0 CEADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)CC[N@H+]1C ZINC000903099175 634968805 /nfs/dbraw/zinc/96/88/05/634968805.db2.gz CSOLOTOYFPFGNS-VGWXVEKNSA-N 2 1 277.456 2.217 20 0 CEADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC[NH+]1C ZINC000903099175 634968808 /nfs/dbraw/zinc/96/88/08/634968808.db2.gz CSOLOTOYFPFGNS-VGWXVEKNSA-N 3 1 277.456 2.217 20 0 CEADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC[NH+]1C ZINC000903099175 634968809 /nfs/dbraw/zinc/96/88/09/634968809.db2.gz CSOLOTOYFPFGNS-VGWXVEKNSA-N 3 1 277.456 2.217 20 0 CEADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C[N@H+]1C1CC1 ZINC000903109387 634973337 /nfs/dbraw/zinc/97/33/37/634973337.db2.gz FJUWPKGJYKCGFW-XWYRXTGTSA-N 2 1 289.467 2.359 20 0 CEADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[NH+]1C1CC1 ZINC000903109387 634973338 /nfs/dbraw/zinc/97/33/38/634973338.db2.gz FJUWPKGJYKCGFW-XWYRXTGTSA-N 2 1 289.467 2.359 20 0 CEADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[NH+]1C1CC1 ZINC000903109387 634973340 /nfs/dbraw/zinc/97/33/40/634973340.db2.gz FJUWPKGJYKCGFW-XWYRXTGTSA-N 2 1 289.467 2.359 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CN1C1CC1 ZINC000903109387 634973342 /nfs/dbraw/zinc/97/33/42/634973342.db2.gz FJUWPKGJYKCGFW-XWYRXTGTSA-N 2 1 289.467 2.359 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CN1C1CC1 ZINC000903109387 634973343 /nfs/dbraw/zinc/97/33/43/634973343.db2.gz FJUWPKGJYKCGFW-XWYRXTGTSA-N 2 1 289.467 2.359 20 0 CEADMP C(C1CC1)[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903093807 634975195 /nfs/dbraw/zinc/97/51/95/634975195.db2.gz VETRBNWJZYTMQK-UNPWZGGWSA-N 2 1 289.467 2.218 20 0 CEADMP C(C1CC1)[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903093807 634975198 /nfs/dbraw/zinc/97/51/98/634975198.db2.gz VETRBNWJZYTMQK-UNPWZGGWSA-N 2 1 289.467 2.218 20 0 CEADMP C(C1CC1)[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903093807 634975202 /nfs/dbraw/zinc/97/52/02/634975202.db2.gz VETRBNWJZYTMQK-UNPWZGGWSA-N 2 1 289.467 2.218 20 0 CEADMP O[C@H]1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903185926 635000739 /nfs/dbraw/zinc/00/07/39/635000739.db2.gz HWQVJGCCPCQOHX-AIDGVLJZSA-N 2 1 278.440 2.285 20 0 CEADMP C[C@H](CC(C)(C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903179808 635000805 /nfs/dbraw/zinc/00/08/05/635000805.db2.gz TZCQWTWOZVKYLY-IKKMQULASA-N 2 1 266.429 2.283 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C3(O)CCC3)CC2)[C@@H]2CCC[C@H]21 ZINC000903257578 635032131 /nfs/dbraw/zinc/03/21/31/635032131.db2.gz HPQNIOKHFHMYJH-SOUVJXGZSA-N 2 1 278.440 2.144 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)[C@H]2CCC[C@H]21 ZINC000903266441 635038684 /nfs/dbraw/zinc/03/86/84/635038684.db2.gz ZIRIKMCODUTZFC-NNXHMXCWSA-N 2 1 280.456 2.390 20 0 CEADMP C[C@@H]1CC2(CC([NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)C2)CO1 ZINC000903281957 635042840 /nfs/dbraw/zinc/04/28/40/635042840.db2.gz JGSDZEYRJGNBBA-LEWHNBTBSA-N 2 1 278.440 2.406 20 0 CEADMP OC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903290204 635052831 /nfs/dbraw/zinc/05/28/31/635052831.db2.gz SXDBHLIQPACMAA-BZSNNMDCSA-N 2 1 288.435 2.197 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)[C@H]2CCC[C@@H]21 ZINC000903438938 635117639 /nfs/dbraw/zinc/11/76/39/635117639.db2.gz AKVOUZBQTPFHGC-MDMSPXHWSA-N 2 1 286.419 2.107 20 0 CEADMP COC[C@@H](C[N@@H+]1C[C@@H](c2ccccc2F)[C@H](N)C1)C(C)C ZINC000903459840 635126544 /nfs/dbraw/zinc/12/65/44/635126544.db2.gz OPWBANZJCIFGGG-UKPHBRMFSA-N 2 1 294.414 2.471 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCOC[C@@H]2c2cccc(F)c2)C1 ZINC000903463580 635126852 /nfs/dbraw/zinc/12/68/52/635126852.db2.gz FVAAPSWVSLXESN-APHBMKBZSA-N 2 1 278.371 2.326 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCOC[C@@H]2c2cccc(F)c2)C1 ZINC000903463580 635126853 /nfs/dbraw/zinc/12/68/53/635126853.db2.gz FVAAPSWVSLXESN-APHBMKBZSA-N 2 1 278.371 2.326 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903441870 635128506 /nfs/dbraw/zinc/12/85/06/635128506.db2.gz CSZKDONRKVQZMA-MRXNPFEDSA-N 2 1 267.461 2.182 20 0 CEADMP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)C[C@@H]21 ZINC000903453534 635137170 /nfs/dbraw/zinc/13/71/70/635137170.db2.gz ASNKKLSZDWFFLP-FQUUOJAGSA-N 2 1 270.367 2.353 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@H](Cc3ccccc3)C2)C1 ZINC000903454305 635137945 /nfs/dbraw/zinc/13/79/45/635137945.db2.gz ACPFQENOWRVPLY-GVDBMIGSSA-N 2 1 274.408 2.057 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000903456701 635139068 /nfs/dbraw/zinc/13/90/68/635139068.db2.gz JGSGDGNWUUFKHS-NFAWXSAZSA-N 2 1 260.381 2.125 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000903456701 635139071 /nfs/dbraw/zinc/13/90/71/635139071.db2.gz JGSGDGNWUUFKHS-NFAWXSAZSA-N 2 1 260.381 2.125 20 0 CEADMP c1ccc(OCCC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903467626 635140313 /nfs/dbraw/zinc/14/03/13/635140313.db2.gz DLJNFZGONSNYBT-OAHLLOKOSA-N 2 1 260.381 2.330 20 0 CEADMP COc1ccccc1[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903475968 635145353 /nfs/dbraw/zinc/14/53/53/635145353.db2.gz JIDAPGLGMFEWSI-JKIFEVAISA-N 2 1 290.407 2.196 20 0 CEADMP C[N@@H+](CCc1ccc2c(c1)OCO2)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903481625 635148546 /nfs/dbraw/zinc/14/85/46/635148546.db2.gz IAIIQPFOERROFL-KGLIPLIRSA-N 2 1 276.380 2.017 20 0 CEADMP CC1(C)CO[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000903482100 635149367 /nfs/dbraw/zinc/14/93/67/635149367.db2.gz XHVYIWLGWFOUFP-STQMWFEESA-N 2 1 252.402 2.066 20 0 CEADMP COC[C@@H](C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000903481907 635149481 /nfs/dbraw/zinc/14/94/81/635149481.db2.gz PZZSYVKXRVSXBS-HZPDHXFCSA-N 2 1 268.445 2.371 20 0 CEADMP CC1(C)CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)OC1 ZINC000903482244 635150046 /nfs/dbraw/zinc/15/00/46/635150046.db2.gz ZSWGJGNYNDNECT-UONOGXRCSA-N 2 1 266.429 2.456 20 0 CEADMP C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497274 635158120 /nfs/dbraw/zinc/15/81/20/635158120.db2.gz SOHFQZSHIJYJJE-QLFBSQMISA-N 2 1 299.422 2.245 20 0 CEADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000903566145 635164603 /nfs/dbraw/zinc/16/46/03/635164603.db2.gz JNYVXLRAAYQNPJ-ZBFHGGJFSA-N 2 1 262.397 2.230 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000903565416 635164685 /nfs/dbraw/zinc/16/46/85/635164685.db2.gz KAVDQWYMBPCXSA-MCIONIFRSA-N 2 1 279.453 2.253 20 0 CEADMP Cc1ccccc1C[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717671 635232521 /nfs/dbraw/zinc/23/25/21/635232521.db2.gz CVBMTUDUMRUWSB-IAGOWNOFSA-N 2 1 274.408 2.195 20 0 CEADMP C[N@H+](Cc1ccsc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903719366 635233728 /nfs/dbraw/zinc/23/37/28/635233728.db2.gz YVQRRRFYZSSOAA-AWEZNQCLSA-N 2 1 280.437 2.339 20 0 CEADMP C[C@H](C1CC1)[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903723868 635237716 /nfs/dbraw/zinc/23/77/16/635237716.db2.gz YWNBJUKESVOLNW-CZUORRHYSA-N 2 1 278.440 2.408 20 0 CEADMP c1cc2c(s1)CCC[N@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903728601 635240400 /nfs/dbraw/zinc/24/04/00/635240400.db2.gz CICBPDLKBQLDPA-ZBFHGGJFSA-N 2 1 292.448 2.265 20 0 CEADMP CC(C)C[C@@H]1COCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903729634 635240635 /nfs/dbraw/zinc/24/06/35/635240635.db2.gz PQWCUKLSJAGZIM-LSDHHAIUSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)C[C@@H]1COCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903729634 635240641 /nfs/dbraw/zinc/24/06/41/635240641.db2.gz PQWCUKLSJAGZIM-LSDHHAIUSA-N 2 1 254.418 2.123 20 0 CEADMP CC1(C)C[N@@H+](C[C@H]2CCCC[NH2+]C2)C(C)(C)CO1 ZINC000903729584 635241060 /nfs/dbraw/zinc/24/10/60/635241060.db2.gz PCKWYDOENYOTRD-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP c1ccc2c(c1)CCC[N@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903729673 635241164 /nfs/dbraw/zinc/24/11/64/635241164.db2.gz QJWXRSODXJKCTM-ROUUACIJSA-N 2 1 286.419 2.203 20 0 CEADMP CC(C)(C)C[N@@H+](CCCO)C[C@H]1CCCC[NH2+]C1 ZINC000903729709 635241170 /nfs/dbraw/zinc/24/11/70/635241170.db2.gz RDIKNXAUPMOJKC-AWEZNQCLSA-N 2 1 256.434 2.107 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)OC1CCSCC1 ZINC000903749830 635247693 /nfs/dbraw/zinc/24/76/93/635247693.db2.gz PXCOTFPHUBUBKO-GJZGRUSLSA-N 2 1 298.496 2.220 20 0 CEADMP Cc1cc(C)nc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000903751053 635247879 /nfs/dbraw/zinc/24/78/79/635247879.db2.gz CMVXNVGKUUUYTC-INIZCTEOSA-N 2 1 259.397 2.274 20 0 CEADMP Cc1cc(C)nc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000903751053 635247883 /nfs/dbraw/zinc/24/78/83/635247883.db2.gz CMVXNVGKUUUYTC-INIZCTEOSA-N 2 1 259.397 2.274 20 0 CEADMP Cc1cc(C)nc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000903751054 635247987 /nfs/dbraw/zinc/24/79/87/635247987.db2.gz CMVXNVGKUUUYTC-MRXNPFEDSA-N 2 1 259.397 2.274 20 0 CEADMP Cc1cc(C)nc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000903751054 635248017 /nfs/dbraw/zinc/24/80/17/635248017.db2.gz CMVXNVGKUUUYTC-MRXNPFEDSA-N 2 1 259.397 2.274 20 0 CEADMP CC(C)[N@H+](Cc1ccccn1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903737860 635251920 /nfs/dbraw/zinc/25/19/20/635251920.db2.gz WOSKWCJSSJVHOB-DLBZAZTESA-N 2 1 289.423 2.061 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCOC2CCSCC2)[C@H]1CC[NH3+] ZINC000903762864 635257327 /nfs/dbraw/zinc/25/73/27/635257327.db2.gz FTOIJQRAHPDQKY-HIFRSBDPSA-N 2 1 286.485 2.348 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000903767185 635258359 /nfs/dbraw/zinc/25/83/59/635258359.db2.gz FDGDWDNDQSXSCZ-DOTOQJQBSA-N 3 1 279.472 2.088 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cnn(CCF)c2)[C@@H]1CCC[NH3+] ZINC000903765675 635258676 /nfs/dbraw/zinc/25/86/76/635258676.db2.gz JYTRJAKPEGREBR-UKRRQHHQSA-N 2 1 282.407 2.192 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000903756107 635261002 /nfs/dbraw/zinc/26/10/02/635261002.db2.gz OXRLQBPNGKZHGE-GOEBONIOSA-N 2 1 266.429 2.125 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000903755267 635261027 /nfs/dbraw/zinc/26/10/27/635261027.db2.gz DNSBZVCPTOMTMO-BQFCYCMXSA-N 2 1 291.483 2.325 20 0 CEADMP [NH3+]CC1(c2ccccc2)CCN(CCC[NH2+]C2CC2)CC1 ZINC000903792512 635263071 /nfs/dbraw/zinc/26/30/71/635263071.db2.gz CMTYJGGQINOOCQ-UHFFFAOYSA-N 2 1 287.451 2.121 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C[C@H]1C[NH3+] ZINC000903774864 635264279 /nfs/dbraw/zinc/26/42/79/635264279.db2.gz ARBXHUNDRJTPGG-WISYIIOYSA-N 2 1 280.334 2.013 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC[C@H]1C[NH3+] ZINC000903788740 635271534 /nfs/dbraw/zinc/27/15/34/635271534.db2.gz PMTOTEWEUOIBAP-MROQNXINSA-N 2 1 294.361 2.403 20 0 CEADMP NC[C@]12CC[C@H]1CCC[N@@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000903798731 635275674 /nfs/dbraw/zinc/27/56/74/635275674.db2.gz AIIDXGHEOWUXTF-SJLPKXTDSA-N 3 1 285.435 2.036 20 0 CEADMP NC[C@]12CC[C@H]1CCC[N@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000903798731 635275682 /nfs/dbraw/zinc/27/56/82/635275682.db2.gz AIIDXGHEOWUXTF-SJLPKXTDSA-N 3 1 285.435 2.036 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000903798731 635275685 /nfs/dbraw/zinc/27/56/85/635275685.db2.gz AIIDXGHEOWUXTF-SJLPKXTDSA-N 3 1 285.435 2.036 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000903798731 635275687 /nfs/dbraw/zinc/27/56/87/635275687.db2.gz AIIDXGHEOWUXTF-SJLPKXTDSA-N 3 1 285.435 2.036 20 0 CEADMP Cc1c[nH]nc1C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810298 635284607 /nfs/dbraw/zinc/28/46/07/635284607.db2.gz ABXYMNQBNNCALU-AWEZNQCLSA-N 2 1 262.401 2.202 20 0 CEADMP Cc1c[nH]nc1C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810298 635284613 /nfs/dbraw/zinc/28/46/13/635284613.db2.gz ABXYMNQBNNCALU-AWEZNQCLSA-N 2 1 262.401 2.202 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCOC2CC2)CCC1 ZINC000903810547 635285118 /nfs/dbraw/zinc/28/51/18/635285118.db2.gz DNDROPUFHPKRDM-AWEZNQCLSA-N 2 1 252.402 2.149 20 0 CEADMP C[C@H]1CCOCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903832290 635296938 /nfs/dbraw/zinc/29/69/38/635296938.db2.gz PHZFXJDBEBGQFG-AVOUXACISA-N 2 1 252.402 2.018 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cnn(-c3ccccc3)c1)C2 ZINC000903847849 635303016 /nfs/dbraw/zinc/30/30/16/635303016.db2.gz LUPQVLHWYRCUIZ-LXZKKBNFSA-N 2 1 282.391 2.184 20 0 CEADMP CC(C)[C@@H](C)[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000903872809 635321686 /nfs/dbraw/zinc/32/16/86/635321686.db2.gz JACHVNZQXAFWPF-UKRRQHHQSA-N 2 1 291.443 2.212 20 0 CEADMP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000903873575 635321703 /nfs/dbraw/zinc/32/17/03/635321703.db2.gz SZWCENPTTALHJW-OAHLLOKOSA-N 2 1 291.443 2.357 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000903875108 635322132 /nfs/dbraw/zinc/32/21/32/635322132.db2.gz MVZGAXBXYZXYFA-CAOSSQGBSA-N 2 1 266.429 2.252 20 0 CEADMP CCC(CC)[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000903879598 635324427 /nfs/dbraw/zinc/32/44/27/635324427.db2.gz FOLVOUNCNLTDTE-OAHLLOKOSA-N 2 1 291.443 2.356 20 0 CEADMP CC(C)C[C@H]1CCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903884053 635325590 /nfs/dbraw/zinc/32/55/90/635325590.db2.gz PZGPMLPKMUHMFW-HUUCEWRRSA-N 2 1 291.443 2.213 20 0 CEADMP Cc1ccc(C[N@@H+](CCO)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903902552 635338755 /nfs/dbraw/zinc/33/87/55/635338755.db2.gz JIGCXLQZEWIUQO-AYHJJNSGSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000903909404 635342709 /nfs/dbraw/zinc/34/27/09/635342709.db2.gz UMQJKHBDGFKAAG-ZIAGYGMSSA-N 2 1 291.443 2.071 20 0 CEADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C2CC2)O1 ZINC000903909564 635343029 /nfs/dbraw/zinc/34/30/29/635343029.db2.gz FQTMPQXCKASKSO-GJIXHBHRSA-N 2 1 264.413 2.016 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000903932549 635357829 /nfs/dbraw/zinc/35/78/29/635357829.db2.gz DPCZTPHUZBXPNS-HMFIYZBKSA-N 2 1 290.451 2.410 20 0 CEADMP c1cncc([C@H]2CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000903932213 635358087 /nfs/dbraw/zinc/35/80/87/635358087.db2.gz OYMSTENZCYPRTG-VDBQLOCMSA-N 2 1 271.408 2.402 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)cnn1C ZINC000903917279 635365153 /nfs/dbraw/zinc/36/51/53/635365153.db2.gz YFKFXGGSRDUIRP-HLPPOEQASA-N 2 1 292.471 2.212 20 0 CEADMP CC(C)n1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000903959888 635369766 /nfs/dbraw/zinc/36/97/66/635369766.db2.gz RAPSVDRGGAVTKL-MRXNPFEDSA-N 2 1 276.428 2.430 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000903959888 635369770 /nfs/dbraw/zinc/36/97/70/635369770.db2.gz RAPSVDRGGAVTKL-MRXNPFEDSA-N 2 1 276.428 2.430 20 0 CEADMP c1c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)sc2c1C[NH2+]CC2 ZINC000903954788 635387541 /nfs/dbraw/zinc/38/75/41/635387541.db2.gz VQOVBXKUWDBHCX-WFASDCNBSA-N 2 1 292.448 2.395 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1F ZINC000903954559 635387860 /nfs/dbraw/zinc/38/78/60/635387860.db2.gz FFVPDXDMOUQNJO-LLVKDONJSA-N 2 1 288.313 2.169 20 0 CEADMP COc1cc(C)c(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c(C)n1 ZINC000903956738 635390312 /nfs/dbraw/zinc/39/03/12/635390312.db2.gz NUSRAOWSBLCYFY-LBPRGKRZSA-N 2 1 299.365 2.041 20 0 CEADMP C([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)C1CCCCC1 ZINC000903974645 635392528 /nfs/dbraw/zinc/39/25/28/635392528.db2.gz VJMYZGYKSDCTJS-OAHLLOKOSA-N 2 1 266.429 2.315 20 0 CEADMP C[C@@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1CC[NH3+] ZINC000903978812 635394973 /nfs/dbraw/zinc/39/49/73/635394973.db2.gz XPNNXFUTZOFKST-RHSMWYFYSA-N 2 1 288.435 2.471 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000903979011 635396207 /nfs/dbraw/zinc/39/62/07/635396207.db2.gz RWQBAIUXFDCQCF-SQNIBIBYSA-N 2 1 288.435 2.260 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000903979011 635396209 /nfs/dbraw/zinc/39/62/09/635396209.db2.gz RWQBAIUXFDCQCF-SQNIBIBYSA-N 2 1 288.435 2.260 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000903968342 635401241 /nfs/dbraw/zinc/40/12/41/635401241.db2.gz TWRQFEYCHYCXFJ-UIBIWLFHSA-N 3 1 293.499 2.475 20 0 CEADMP C[C@@H]1C[C@H](C)CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903986783 635405552 /nfs/dbraw/zinc/40/55/52/635405552.db2.gz RYIHWDKQCQDWKC-RBSFLKMASA-N 2 1 291.443 2.071 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(CCO)CC1 ZINC000904307868 635558398 /nfs/dbraw/zinc/55/83/98/635558398.db2.gz XTAKNLQDHHRUEN-CQSZACIVSA-N 2 1 256.434 2.234 20 0 CEADMP CCCNC(=O)[C@H]1CCC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904317041 635564373 /nfs/dbraw/zinc/56/43/73/635564373.db2.gz UKRVXWIINJRYTG-GJZGRUSLSA-N 2 1 297.487 2.378 20 0 CEADMP CCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904317041 635564377 /nfs/dbraw/zinc/56/43/77/635564377.db2.gz UKRVXWIINJRYTG-GJZGRUSLSA-N 2 1 297.487 2.378 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904323983 635570585 /nfs/dbraw/zinc/57/05/85/635570585.db2.gz BBKYAZICGPWUMR-HOTGVXAUSA-N 2 1 267.461 2.040 20 0 CEADMP Cn1cc(C[C@@H]2CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C2)cn1 ZINC000904326724 635571821 /nfs/dbraw/zinc/57/18/21/635571821.db2.gz RFHHCANSBIXCCA-HOCLYGCPSA-N 2 1 292.471 2.438 20 0 CEADMP Cn1cc(C[C@@H]2CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C2)cn1 ZINC000904326724 635571824 /nfs/dbraw/zinc/57/18/24/635571824.db2.gz RFHHCANSBIXCCA-HOCLYGCPSA-N 2 1 292.471 2.438 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904385522 635608443 /nfs/dbraw/zinc/60/84/43/635608443.db2.gz ZXOZATAMZLWOBA-CVEARBPZSA-N 3 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904385522 635608446 /nfs/dbraw/zinc/60/84/46/635608446.db2.gz ZXOZATAMZLWOBA-CVEARBPZSA-N 3 1 267.461 2.073 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000904411326 635619488 /nfs/dbraw/zinc/61/94/88/635619488.db2.gz URNGCKWMNCUOHU-LBPRGKRZSA-N 2 1 288.370 2.387 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC[C@H]1C[NH3+] ZINC000904412888 635620191 /nfs/dbraw/zinc/62/01/91/635620191.db2.gz YNSPBQDEMOJYTF-DOMZBBRYSA-N 2 1 260.381 2.038 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCO3)CC[C@H]1C[NH3+] ZINC000904412031 635620411 /nfs/dbraw/zinc/62/04/11/635620411.db2.gz ZVUFCRDPLZTDTO-BBRMVZONSA-N 2 1 274.408 2.428 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CC[C@H](C[NH3+])[C@H](C)C3)n2c1 ZINC000904412197 635620434 /nfs/dbraw/zinc/62/04/34/635620434.db2.gz SAOCADCTXLBHCX-ZIAGYGMSSA-N 2 1 272.396 2.059 20 0 CEADMP COc1cc2c(c(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)c1)O[C@@H](C)C2 ZINC000904418247 635631261 /nfs/dbraw/zinc/63/12/61/635631261.db2.gz WQVYSBQJYMALII-TYNCELHUSA-N 2 1 290.407 2.045 20 0 CEADMP COc1cccc2cc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)oc21 ZINC000904420274 635631973 /nfs/dbraw/zinc/63/19/73/635631973.db2.gz JBDBUUQPHHJBJP-UONOGXRCSA-N 2 1 286.375 2.483 20 0 CEADMP c1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000904475702 635649380 /nfs/dbraw/zinc/64/93/80/635649380.db2.gz PSMHUPQKCGNQSY-AEFFLSMTSA-N 2 1 295.386 2.427 20 0 CEADMP C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904475313 635649486 /nfs/dbraw/zinc/64/94/86/635649486.db2.gz NGIKYWRXRKYUAR-XBXGTLAGSA-N 2 1 270.380 2.246 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1C[NH3+] ZINC000904637967 635692833 /nfs/dbraw/zinc/69/28/33/635692833.db2.gz NJMGWSLIXSDHGB-AWEZNQCLSA-N 2 1 290.411 2.141 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000905060584 635806891 /nfs/dbraw/zinc/80/68/91/635806891.db2.gz VQBVHAWTPYSQNM-WMLDXEAASA-N 2 1 274.408 2.102 20 0 CEADMP CC[C@@H](C)[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C(=O)OC ZINC000905763220 636449514 /nfs/dbraw/zinc/44/95/14/636449514.db2.gz LSJKUIDWSPUGPW-DOMZBBRYSA-N 2 1 282.428 2.038 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000829226863 636807651 /nfs/dbraw/zinc/80/76/51/636807651.db2.gz XCIOMNPGOXBDRJ-ZFWWWQNUSA-N 2 1 295.471 2.131 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCC[NH+](CC)CC)C1 ZINC000906674170 636818305 /nfs/dbraw/zinc/81/83/05/636818305.db2.gz SQYBPALWSIXLRH-INIZCTEOSA-N 2 1 297.487 2.347 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000907614585 637078042 /nfs/dbraw/zinc/07/80/42/637078042.db2.gz ORNDJROVWFIVRE-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000832684933 637643213 /nfs/dbraw/zinc/64/32/13/637643213.db2.gz SXSHXUZBQFSPQL-UHFFFAOYSA-N 2 1 298.390 2.256 20 0 CEADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876720982 650409470 /nfs/dbraw/zinc/40/94/70/650409470.db2.gz OCMGFUAHLPJBEZ-JOCQHMNTSA-N 2 1 299.378 2.032 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CC)C2)C1 ZINC000912399821 638680014 /nfs/dbraw/zinc/68/00/14/638680014.db2.gz ZLCBYSGPZZRMDP-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](CC)C2)C1 ZINC000912399821 638680018 /nfs/dbraw/zinc/68/00/18/638680018.db2.gz ZLCBYSGPZZRMDP-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)C1 ZINC000912399821 638680020 /nfs/dbraw/zinc/68/00/20/638680020.db2.gz ZLCBYSGPZZRMDP-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP COc1cnc(F)c(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000876811862 650442599 /nfs/dbraw/zinc/44/25/99/650442599.db2.gz HNIIQLVDSPISSE-DOMZBBRYSA-N 2 1 293.386 2.145 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000912719380 639002285 /nfs/dbraw/zinc/00/22/85/639002285.db2.gz XPXLVAPLEPTQEG-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000912719380 639002286 /nfs/dbraw/zinc/00/22/86/639002286.db2.gz XPXLVAPLEPTQEG-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000912719380 639002287 /nfs/dbraw/zinc/00/22/87/639002287.db2.gz XPXLVAPLEPTQEG-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP COc1cnc(F)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000876916039 650485380 /nfs/dbraw/zinc/48/53/80/650485380.db2.gz IQYYFVUENJNPAQ-NSHDSACASA-N 2 1 292.358 2.160 20 0 CEADMP C[C@@H](C[NH2+]Cc1cncs1)C[NH+]1CCCCC1 ZINC000054788260 639324682 /nfs/dbraw/zinc/32/46/82/639324682.db2.gz WVCDXQAAIPXTGN-LBPRGKRZSA-N 2 1 253.415 2.355 20 0 CEADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157412150 639485537 /nfs/dbraw/zinc/48/55/37/639485537.db2.gz GTDAZVLECGMTPN-TUKIKUTGSA-N 2 1 275.396 2.026 20 0 CEADMP c1cnc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000226813350 639565538 /nfs/dbraw/zinc/56/55/38/639565538.db2.gz NERKHOCKICJXHT-SWLSCSKDSA-N 2 1 257.381 2.143 20 0 CEADMP c1cnc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000226813350 639565541 /nfs/dbraw/zinc/56/55/41/639565541.db2.gz NERKHOCKICJXHT-SWLSCSKDSA-N 2 1 257.381 2.143 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C/C=C/CNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000227755924 639603946 /nfs/dbraw/zinc/60/39/46/639603946.db2.gz ZTNBNQFKXNWTFK-AFJNRPGYSA-N 2 1 297.443 2.140 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CC[NH2+]1 ZINC000841022903 639619145 /nfs/dbraw/zinc/61/91/45/639619145.db2.gz RXJFGCSEUHEESM-CVEARBPZSA-N 3 1 279.472 2.182 20 0 CEADMP CO[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000877022399 650534923 /nfs/dbraw/zinc/53/49/23/650534923.db2.gz MUQBYMWFXWSZDO-GVDBMIGSSA-N 2 1 296.455 2.035 20 0 CEADMP CO[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000877022399 650534925 /nfs/dbraw/zinc/53/49/25/650534925.db2.gz MUQBYMWFXWSZDO-GVDBMIGSSA-N 2 1 296.455 2.035 20 0 CEADMP CO[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H](C)C1 ZINC000312195730 640005917 /nfs/dbraw/zinc/00/59/17/640005917.db2.gz FNDCPRHQNLDLLN-BBRMVZONSA-N 2 1 274.408 2.332 20 0 CEADMP O[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000312226134 640007912 /nfs/dbraw/zinc/00/79/12/640007912.db2.gz GCWZFEUZPAFDMO-YESZJQIVSA-N 2 1 274.408 2.327 20 0 CEADMP Cc1noc([C@@H]2CCC[N@@H+](CCCCCCC[NH3+])C2)n1 ZINC000842472113 640071570 /nfs/dbraw/zinc/07/15/70/640071570.db2.gz RDLCIZDGBFDJLZ-CQSZACIVSA-N 2 1 280.416 2.467 20 0 CEADMP [NH3+]CCCCCCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000842476017 640075232 /nfs/dbraw/zinc/07/52/32/640075232.db2.gz DLBMCLRGMDJCNA-HNNXBMFYSA-N 3 1 255.450 2.393 20 0 CEADMP c1ccc([C@@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)nc1 ZINC000842476265 640075841 /nfs/dbraw/zinc/07/58/41/640075841.db2.gz KKDAYTSKLXRFSR-HUUCEWRRSA-N 2 1 259.397 2.261 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089147585 640089061 /nfs/dbraw/zinc/08/90/61/640089061.db2.gz RQFYOQHVIZHQBR-BZUAXINKSA-N 2 1 261.413 2.006 20 0 CEADMP CCCCCC[N@H+](C)Cc1nc([C@H](C)C[NH2+]C)no1 ZINC000842583594 640109366 /nfs/dbraw/zinc/10/93/66/640109366.db2.gz OEZAZCZAHCQRQR-GFCCVEGCSA-N 2 1 268.405 2.405 20 0 CEADMP CCCCCC[N@@H+](C)Cc1nc([C@H](C)C[NH2+]C)no1 ZINC000842583594 640109368 /nfs/dbraw/zinc/10/93/68/640109368.db2.gz OEZAZCZAHCQRQR-GFCCVEGCSA-N 2 1 268.405 2.405 20 0 CEADMP C[C@H](c1nc([C@H]2CCC[NH2+]C2)no1)[NH+]1CCCCCC1 ZINC000842668488 640142864 /nfs/dbraw/zinc/14/28/64/640142864.db2.gz OOPUAOINRKARCP-OLZOCXBDSA-N 2 1 278.400 2.474 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000842686952 640149773 /nfs/dbraw/zinc/14/97/73/640149773.db2.gz MFHPLIDXHZSPNY-GJZGRUSLSA-N 2 1 299.422 2.230 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(CCc2ccns2)C1 ZINC000929779013 640184613 /nfs/dbraw/zinc/18/46/13/640184613.db2.gz MIPWXHADOUGZBT-ZDUSSCGKSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccns2)C1 ZINC000929779013 640184617 /nfs/dbraw/zinc/18/46/17/640184617.db2.gz MIPWXHADOUGZBT-ZDUSSCGKSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccns2)C1 ZINC000929779013 640184618 /nfs/dbraw/zinc/18/46/18/640184618.db2.gz MIPWXHADOUGZBT-ZDUSSCGKSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC000929779013 640184623 /nfs/dbraw/zinc/18/46/23/640184623.db2.gz MIPWXHADOUGZBT-ZDUSSCGKSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC000929779013 640184626 /nfs/dbraw/zinc/18/46/26/640184626.db2.gz MIPWXHADOUGZBT-ZDUSSCGKSA-N 2 1 267.442 2.349 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CC[C@@H]1[NH3+] ZINC000843051542 640254458 /nfs/dbraw/zinc/25/44/58/640254458.db2.gz FNJKCQDMIAKMTL-CJNGLKHVSA-N 2 1 260.381 2.276 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@@H](C)[NH3+])cc1)C(C)C ZINC000877103068 650573593 /nfs/dbraw/zinc/57/35/93/650573593.db2.gz PQQUCPKWPZFJMM-CQSZACIVSA-N 2 1 291.439 2.336 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCOCC(F)(F)F ZINC000843360560 640404380 /nfs/dbraw/zinc/40/43/80/640404380.db2.gz CVDSPXCBHPQWDZ-YOGCLGLASA-N 2 1 280.334 2.300 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843362929 640405297 /nfs/dbraw/zinc/40/52/97/640405297.db2.gz JVPMYHAIFAALRO-CABCVRRESA-N 2 1 282.428 2.184 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000843377472 640410552 /nfs/dbraw/zinc/41/05/52/640410552.db2.gz RHSFKSXVZTXBPP-IUODEOHRSA-N 2 1 266.360 2.264 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCCCCC[NH3+])C1 ZINC000844221898 640636212 /nfs/dbraw/zinc/63/62/12/640636212.db2.gz XYSHOMBNQKIBGY-HNNXBMFYSA-N 3 1 255.450 2.169 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000844221898 640636215 /nfs/dbraw/zinc/63/62/15/640636215.db2.gz XYSHOMBNQKIBGY-HNNXBMFYSA-N 3 1 255.450 2.169 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000844221898 640636219 /nfs/dbraw/zinc/63/62/19/640636219.db2.gz XYSHOMBNQKIBGY-HNNXBMFYSA-N 3 1 255.450 2.169 20 0 CEADMP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994405299 640831997 /nfs/dbraw/zinc/83/19/97/640831997.db2.gz IMQIGOSYRGODDG-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994405299 640832001 /nfs/dbraw/zinc/83/20/01/640832001.db2.gz IMQIGOSYRGODDG-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCc1ncc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)o1 ZINC000930000141 640922543 /nfs/dbraw/zinc/92/25/43/640922543.db2.gz NLMOMHVTLRCCOF-TZMCWYRMSA-N 2 1 265.401 2.399 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000930059842 641014026 /nfs/dbraw/zinc/01/40/26/641014026.db2.gz HBIJNXCJBLJSAJ-YIDVYQOGSA-N 2 1 266.429 2.216 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@](C)(O)c1ccccc1 ZINC000846040434 641160347 /nfs/dbraw/zinc/16/03/47/641160347.db2.gz XEULJIRDWOOZQK-XOYOTBSWSA-N 2 1 288.435 2.499 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877259097 650645639 /nfs/dbraw/zinc/64/56/39/650645639.db2.gz YLJKCSUYEVUIJC-PBHICJAKSA-N 2 1 295.471 2.084 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000846218262 641227148 /nfs/dbraw/zinc/22/71/48/641227148.db2.gz MCFBICUTBYMESH-INIZCTEOSA-N 2 1 289.423 2.069 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCCCC[NH3+])[C@H](CC)CN1C(C)=O ZINC000846219341 641227385 /nfs/dbraw/zinc/22/73/85/641227385.db2.gz OTTAAUJRQGZALV-HZPDHXFCSA-N 2 1 283.460 2.227 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000846222556 641230365 /nfs/dbraw/zinc/23/03/65/641230365.db2.gz GJVBCMCUAVIFJP-HUUCEWRRSA-N 2 1 254.418 2.397 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000846223475 641232878 /nfs/dbraw/zinc/23/28/78/641232878.db2.gz LJXGTPNHNPWYBB-DOTOQJQBSA-N 3 1 279.472 2.454 20 0 CEADMP [NH3+]CCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000846223475 641232883 /nfs/dbraw/zinc/23/28/83/641232883.db2.gz LJXGTPNHNPWYBB-DOTOQJQBSA-N 3 1 279.472 2.454 20 0 CEADMP [NH3+]CCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000846223475 641232887 /nfs/dbraw/zinc/23/28/87/641232887.db2.gz LJXGTPNHNPWYBB-DOTOQJQBSA-N 3 1 279.472 2.454 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000846223475 641232892 /nfs/dbraw/zinc/23/28/92/641232892.db2.gz LJXGTPNHNPWYBB-DOTOQJQBSA-N 2 1 279.472 2.454 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000846223475 641232896 /nfs/dbraw/zinc/23/28/96/641232896.db2.gz LJXGTPNHNPWYBB-DOTOQJQBSA-N 2 1 279.472 2.454 20 0 CEADMP CCCCCCNC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000846226825 641234234 /nfs/dbraw/zinc/23/42/34/641234234.db2.gz URWDREAIKFSYFM-LSDHHAIUSA-N 2 1 283.460 2.132 20 0 CEADMP CCCCCCNC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000846226825 641234237 /nfs/dbraw/zinc/23/42/37/641234237.db2.gz URWDREAIKFSYFM-LSDHHAIUSA-N 2 1 283.460 2.132 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000921470108 641278954 /nfs/dbraw/zinc/27/89/54/641278954.db2.gz WSWBAXWKYOKRPM-UHFFFAOYSA-N 2 1 291.439 2.210 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCCCCC[NH3+] ZINC000237637548 641363951 /nfs/dbraw/zinc/36/39/51/641363951.db2.gz SEGWSQJLZGZWOK-OWCLPIDISA-N 2 1 297.487 2.378 20 0 CEADMP C[N@H+]1CCC[C@@]2(CCN(Cc3ccc4nonc4c3)C2)C1 ZINC000846922002 641484488 /nfs/dbraw/zinc/48/44/88/641484488.db2.gz BKDKDEXJSSALEQ-MRXNPFEDSA-N 2 1 286.379 2.141 20 0 CEADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4nonc4c3)C2)C1 ZINC000846922002 641484491 /nfs/dbraw/zinc/48/44/91/641484491.db2.gz BKDKDEXJSSALEQ-MRXNPFEDSA-N 2 1 286.379 2.141 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4nonc4c3)C2)C1 ZINC000846922002 641484498 /nfs/dbraw/zinc/48/44/98/641484498.db2.gz BKDKDEXJSSALEQ-MRXNPFEDSA-N 2 1 286.379 2.141 20 0 CEADMP CCCCCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000846945227 641492860 /nfs/dbraw/zinc/49/28/60/641492860.db2.gz LFMIZCYQONANQR-UHFFFAOYSA-N 2 1 256.434 2.392 20 0 CEADMP CCOC(C[N@H+](CC)CC[C@@H]1CCC[NH+]1C)OCC ZINC000846973756 641504547 /nfs/dbraw/zinc/50/45/47/641504547.db2.gz HMVRBAKKJXQUMW-AWEZNQCLSA-N 2 1 272.433 2.192 20 0 CEADMP CCOC(C[N@@H+](CC)CC[C@@H]1CCC[NH+]1C)OCC ZINC000846973756 641504553 /nfs/dbraw/zinc/50/45/53/641504553.db2.gz HMVRBAKKJXQUMW-AWEZNQCLSA-N 2 1 272.433 2.192 20 0 CEADMP CCOC(C[NH+](CC)CC[C@@H]1CCC[N@@H+]1C)OCC ZINC000846973756 641504558 /nfs/dbraw/zinc/50/45/58/641504558.db2.gz HMVRBAKKJXQUMW-AWEZNQCLSA-N 2 1 272.433 2.192 20 0 CEADMP CCOC(C[NH+](CC)CC[C@@H]1CCC[N@H+]1C)OCC ZINC000846973756 641504562 /nfs/dbraw/zinc/50/45/62/641504562.db2.gz HMVRBAKKJXQUMW-AWEZNQCLSA-N 2 1 272.433 2.192 20 0 CEADMP C[C@@H](Cc1ccco1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848521482 642029967 /nfs/dbraw/zinc/02/99/67/642029967.db2.gz SLZTZZIHSNPLNU-WMLDXEAASA-N 2 1 292.423 2.444 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1ccccc1 ZINC000848981358 642203623 /nfs/dbraw/zinc/20/36/23/642203623.db2.gz HAKQJSGQCTWSHS-ZBFHGGJFSA-N 2 1 288.439 2.388 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=[NH2+])NC1CC1 ZINC000848985403 642207683 /nfs/dbraw/zinc/20/76/83/642207683.db2.gz PZMJVBBDEFOUKG-UHFFFAOYSA-N 2 1 274.412 2.303 20 0 CEADMP [NH2+]=C(NCC[N@@H+]1CCc2ccccc2C1)NC1CCCC1 ZINC000848986628 642209105 /nfs/dbraw/zinc/20/91/05/642209105.db2.gz NOGVDGRQBQSETC-UHFFFAOYSA-N 2 1 286.423 2.101 20 0 CEADMP [NH2+]=C(NCC[N@H+]1CCc2ccccc2C1)NC1CCCC1 ZINC000848986628 642209108 /nfs/dbraw/zinc/20/91/08/642209108.db2.gz NOGVDGRQBQSETC-UHFFFAOYSA-N 2 1 286.423 2.101 20 0 CEADMP COc1ccc(NC(=[NH2+])NCC[N@H+](C)C2CC2)cc1Cl ZINC000848997628 642216789 /nfs/dbraw/zinc/21/67/89/642216789.db2.gz VLLMKWZNWQECKI-UHFFFAOYSA-N 2 1 296.802 2.379 20 0 CEADMP COc1ccc(NC(=[NH2+])NCC[N@@H+](C)C2CC2)cc1Cl ZINC000848997628 642216791 /nfs/dbraw/zinc/21/67/91/642216791.db2.gz VLLMKWZNWQECKI-UHFFFAOYSA-N 2 1 296.802 2.379 20 0 CEADMP c1nn(CC2CCC2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000921547268 642228438 /nfs/dbraw/zinc/22/84/38/642228438.db2.gz JGUKMNCMPZMLJO-IRXDYDNUSA-N 2 1 288.439 2.400 20 0 CEADMP c1nn(CC2CCC2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000921547268 642228441 /nfs/dbraw/zinc/22/84/41/642228441.db2.gz JGUKMNCMPZMLJO-IRXDYDNUSA-N 2 1 288.439 2.400 20 0 CEADMP CC(C)CCC[C@H](C)NC(=[NH2+])NCC[NH+]1CCC1 ZINC000849014626 642230667 /nfs/dbraw/zinc/23/06/67/642230667.db2.gz FTVJKBHYKGIPIC-ZDUSSCGKSA-N 2 1 254.422 2.021 20 0 CEADMP [NH2+]=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CCCCC1 ZINC000849023089 642236838 /nfs/dbraw/zinc/23/68/38/642236838.db2.gz KTNQJHOYBLIYBF-AWEZNQCLSA-N 2 1 264.417 2.014 20 0 CEADMP CCOC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000877473155 650737782 /nfs/dbraw/zinc/73/77/82/650737782.db2.gz DTIOIRYQNKPPLA-UONOGXRCSA-N 2 1 282.428 2.182 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CC)CC1 ZINC000997611857 642311408 /nfs/dbraw/zinc/31/14/08/642311408.db2.gz DBZSIHNZHKYZHX-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](CC)CC1 ZINC000998093273 642364575 /nfs/dbraw/zinc/36/45/75/642364575.db2.gz HILZCCASUNJQCX-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP COc1ncc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000877497750 650751269 /nfs/dbraw/zinc/75/12/69/650751269.db2.gz ZWHOGSNEMLFKOK-UHFFFAOYSA-N 2 1 295.452 2.460 20 0 CEADMP CC(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999137495 642463234 /nfs/dbraw/zinc/46/32/34/642463234.db2.gz NIWBNFKCTJSYHD-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000999505239 642493425 /nfs/dbraw/zinc/49/34/25/642493425.db2.gz ILXKBIHUPZGGEZ-GPANFISMSA-N 2 1 295.471 2.237 20 0 CEADMP CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999580734 642499449 /nfs/dbraw/zinc/49/94/49/642499449.db2.gz OGVFHDTTZBQDHA-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CO1 ZINC000850038070 642549173 /nfs/dbraw/zinc/54/91/73/642549173.db2.gz KGSGWSFQAJPKSD-LSDHHAIUSA-N 2 1 286.379 2.233 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3nccs3)C2)CC1 ZINC000685463161 642570546 /nfs/dbraw/zinc/57/05/46/642570546.db2.gz UISOGYIACLSQCK-CYBMUJFWSA-N 2 1 265.426 2.307 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925486841 642617797 /nfs/dbraw/zinc/61/77/97/642617797.db2.gz KGGBVTGWOOCXAG-RBSFLKMASA-N 2 1 265.445 2.110 20 0 CEADMP CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001001228909 642700444 /nfs/dbraw/zinc/70/04/44/642700444.db2.gz GCBDOWACUZOCSR-INIZCTEOSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001228909 642700448 /nfs/dbraw/zinc/70/04/48/642700448.db2.gz GCBDOWACUZOCSR-INIZCTEOSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001228909 642700453 /nfs/dbraw/zinc/70/04/53/642700453.db2.gz GCBDOWACUZOCSR-INIZCTEOSA-N 2 1 293.455 2.018 20 0 CEADMP CCOC(=O)NC1CCC([NH2+]C[C@@H](C)[NH+](CC)CC)CC1 ZINC000850467152 642720684 /nfs/dbraw/zinc/72/06/84/642720684.db2.gz QQOHUTRGMVGEGL-WLYUNCDWSA-N 2 1 299.459 2.364 20 0 CEADMP Cc1ccncc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000850508032 642734762 /nfs/dbraw/zinc/73/47/62/642734762.db2.gz QVOVWZAHMCPZMP-MQVJKMGUSA-N 2 1 259.397 2.147 20 0 CEADMP C[C@@H](CC[NH2+]Cc1c2c(nn1C)CCC2)[NH+]1CCCCC1 ZINC000921989561 642829056 /nfs/dbraw/zinc/82/90/56/642829056.db2.gz GATVXYMXJMKLFW-AWEZNQCLSA-N 2 1 290.455 2.263 20 0 CEADMP C[C@H](CC[NH2+]Cc1cnn(CCF)c1)[NH+]1CCCCC1 ZINC000921992351 642831443 /nfs/dbraw/zinc/83/14/43/642831443.db2.gz ZCFFDCZFIGNLOR-CQSZACIVSA-N 2 1 282.407 2.207 20 0 CEADMP O=c1[nH]c2cccc(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)c2o1 ZINC000922025877 642846658 /nfs/dbraw/zinc/84/66/58/642846658.db2.gz QFBVQMNUHGLQEO-NSHDSACASA-N 2 1 298.346 2.082 20 0 CEADMP O=c1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH]1 ZINC000922076678 642865159 /nfs/dbraw/zinc/86/51/59/642865159.db2.gz LQFVWQJZNBGDJO-QGZVFWFLSA-N 2 1 297.402 2.399 20 0 CEADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc(Cl)n1 ZINC000320856023 642926455 /nfs/dbraw/zinc/92/64/55/642926455.db2.gz KCFFQOZWVBKVQE-KGLIPLIRSA-N 2 1 279.815 2.427 20 0 CEADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc(Cl)n1 ZINC000320856023 642926458 /nfs/dbraw/zinc/92/64/58/642926458.db2.gz KCFFQOZWVBKVQE-KGLIPLIRSA-N 2 1 279.815 2.427 20 0 CEADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc(Cl)n1 ZINC000320856023 642926460 /nfs/dbraw/zinc/92/64/60/642926460.db2.gz KCFFQOZWVBKVQE-KGLIPLIRSA-N 2 1 279.815 2.427 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc(Cl)n1 ZINC000320856023 642926461 /nfs/dbraw/zinc/92/64/61/642926461.db2.gz KCFFQOZWVBKVQE-KGLIPLIRSA-N 2 1 279.815 2.427 20 0 CEADMP O[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877597684 650808291 /nfs/dbraw/zinc/80/82/91/650808291.db2.gz UTOZFJRGTMDPFZ-XOYOTBSWSA-N 2 1 286.419 2.467 20 0 CEADMP O[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877597684 650808292 /nfs/dbraw/zinc/80/82/92/650808292.db2.gz UTOZFJRGTMDPFZ-XOYOTBSWSA-N 2 1 286.419 2.467 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1)C2 ZINC000922386078 643057299 /nfs/dbraw/zinc/05/72/99/643057299.db2.gz FMHRSYGYXUEGPB-BDXSIMOUSA-N 2 1 288.435 2.256 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2COC(C)(C)O2)CC1 ZINC000851751644 643146669 /nfs/dbraw/zinc/14/66/69/643146669.db2.gz VNSOQGLXRBZHQH-HNNXBMFYSA-N 2 1 284.444 2.190 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CC(C)(C)C[C@@H]1C)C[NH+](C)C ZINC000922754934 643245935 /nfs/dbraw/zinc/24/59/35/643245935.db2.gz VWBWUHJVHYASEU-MJBXVCDLSA-N 2 1 256.434 2.367 20 0 CEADMP COC(CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)OC ZINC000851993084 643257029 /nfs/dbraw/zinc/25/70/29/643257029.db2.gz QUGSCABPASXYKV-UHFFFAOYSA-N 2 1 294.395 2.242 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCCCCCO)C2 ZINC000852108597 643311850 /nfs/dbraw/zinc/31/18/50/643311850.db2.gz IDDMZZGCXVWEBH-MRXNPFEDSA-N 2 1 268.445 2.347 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCCCCCO)C2 ZINC000852108597 643311854 /nfs/dbraw/zinc/31/18/54/643311854.db2.gz IDDMZZGCXVWEBH-MRXNPFEDSA-N 2 1 268.445 2.347 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCCCCCO)C2 ZINC000852108597 643311858 /nfs/dbraw/zinc/31/18/58/643311858.db2.gz IDDMZZGCXVWEBH-MRXNPFEDSA-N 2 1 268.445 2.347 20 0 CEADMP COC[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)C(C)C ZINC000922949981 643475892 /nfs/dbraw/zinc/47/58/92/643475892.db2.gz ZFQLRWFADVOGEB-CQSZACIVSA-N 2 1 265.401 2.156 20 0 CEADMP O[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000922989637 643498123 /nfs/dbraw/zinc/49/81/23/643498123.db2.gz VKYFXVFMNRCLCW-IDCNUPLLSA-N 2 1 286.419 2.251 20 0 CEADMP O[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922989637 643498124 /nfs/dbraw/zinc/49/81/24/643498124.db2.gz VKYFXVFMNRCLCW-IDCNUPLLSA-N 2 1 286.419 2.251 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000852744148 643528844 /nfs/dbraw/zinc/52/88/44/643528844.db2.gz SZDQOHZWQSYUKK-HIFRSBDPSA-N 2 1 254.418 2.252 20 0 CEADMP CO[C@@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CCCC1 ZINC000852750800 643534873 /nfs/dbraw/zinc/53/48/73/643534873.db2.gz GRBNYWSULPDOJQ-LSDHHAIUSA-N 2 1 252.402 2.020 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CCCC1 ZINC000852750800 643534878 /nfs/dbraw/zinc/53/48/78/643534878.db2.gz GRBNYWSULPDOJQ-LSDHHAIUSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1csc(C[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000923271030 643631449 /nfs/dbraw/zinc/63/14/49/643631449.db2.gz IJJDMHYNWAYADT-AWEZNQCLSA-N 2 1 279.453 2.316 20 0 CEADMP C[NH2+]C1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000923287044 643640560 /nfs/dbraw/zinc/64/05/60/643640560.db2.gz NIMBAMLUNTZKNQ-IBGZPJMESA-N 2 1 298.430 2.427 20 0 CEADMP C[NH2+]C1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000923287045 643640724 /nfs/dbraw/zinc/64/07/24/643640724.db2.gz NIMBAMLUNTZKNQ-LJQANCHMSA-N 2 1 298.430 2.427 20 0 CEADMP CCCCC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C(C)C ZINC000923303830 643651687 /nfs/dbraw/zinc/65/16/87/643651687.db2.gz RFEXVCROHYHFPC-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923310272 643658855 /nfs/dbraw/zinc/65/88/55/643658855.db2.gz CWKWPFRPUQTTHC-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP CN1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923323421 643662485 /nfs/dbraw/zinc/66/24/85/643662485.db2.gz UPITZUYQHSEXGT-FVAVCCDCSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923323421 643662486 /nfs/dbraw/zinc/66/24/86/643662486.db2.gz UPITZUYQHSEXGT-FVAVCCDCSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923323421 643662487 /nfs/dbraw/zinc/66/24/87/643662487.db2.gz UPITZUYQHSEXGT-FVAVCCDCSA-N 2 1 291.483 2.466 20 0 CEADMP CCc1onc(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000923332267 643664597 /nfs/dbraw/zinc/66/45/97/643664597.db2.gz KRFQFHMUJGGVGG-IACUBPJLSA-N 2 1 263.385 2.105 20 0 CEADMP C[N@@H+](C[C@H](O)CCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000923335498 643667266 /nfs/dbraw/zinc/66/72/66/643667266.db2.gz QMVQXMJEWAJAPH-DLBZAZTESA-N 2 1 276.424 2.054 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000923348438 643672408 /nfs/dbraw/zinc/67/24/08/643672408.db2.gz HBYKFAGUHFWMCQ-DLBZAZTESA-N 2 1 276.424 2.041 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000923365184 643681227 /nfs/dbraw/zinc/68/12/27/643681227.db2.gz CMVBTLUUMLXEPY-IRXDYDNUSA-N 2 1 274.408 2.104 20 0 CEADMP C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923370383 643683004 /nfs/dbraw/zinc/68/30/04/643683004.db2.gz GBTXQJQGUKMCPV-GFCCVEGCSA-N 2 1 298.789 2.289 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923362937 643684023 /nfs/dbraw/zinc/68/40/23/643684023.db2.gz QXBAFHKCVPOCGN-KGLIPLIRSA-N 2 1 277.412 2.367 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH2+]C1CC1)c1nccs1 ZINC000923373434 643684470 /nfs/dbraw/zinc/68/44/70/643684470.db2.gz PFZKDGQLDFRIOI-NSHDSACASA-N 2 1 253.415 2.321 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH2+]C1CC1)c1nccs1 ZINC000923373434 643684471 /nfs/dbraw/zinc/68/44/71/643684471.db2.gz PFZKDGQLDFRIOI-NSHDSACASA-N 2 1 253.415 2.321 20 0 CEADMP CCN1C[C@H](C)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000923374567 643685553 /nfs/dbraw/zinc/68/55/53/643685553.db2.gz ZOVBQPHIQSVUFG-OZSLIKBDSA-N 2 1 279.472 2.322 20 0 CEADMP CC[N@@H+]1C[C@H](C)N(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000923374567 643685555 /nfs/dbraw/zinc/68/55/55/643685555.db2.gz ZOVBQPHIQSVUFG-OZSLIKBDSA-N 2 1 279.472 2.322 20 0 CEADMP CC[N@H+]1C[C@H](C)N(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000923374567 643685556 /nfs/dbraw/zinc/68/55/56/643685556.db2.gz ZOVBQPHIQSVUFG-OZSLIKBDSA-N 2 1 279.472 2.322 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@H](O)CC1CCCC1 ZINC000923390085 643689193 /nfs/dbraw/zinc/68/91/93/643689193.db2.gz BALQFPFDBATIKF-HWOWSKLDSA-N 2 1 266.429 2.131 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@H](O)CC1CCCC1 ZINC000923390085 643689197 /nfs/dbraw/zinc/68/91/97/643689197.db2.gz BALQFPFDBATIKF-HWOWSKLDSA-N 2 1 266.429 2.131 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1CC[NH3+] ZINC000923386936 643692644 /nfs/dbraw/zinc/69/26/44/643692644.db2.gz LKPWQZDJBHGZBT-AKBNIOSXSA-N 2 1 279.472 2.356 20 0 CEADMP C[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCc2ccc(Cl)cc21 ZINC000923389287 643693918 /nfs/dbraw/zinc/69/39/18/643693918.db2.gz VDNFTMINLQLVRG-NZBMOFRJSA-N 2 1 294.826 2.152 20 0 CEADMP Cc1ccc([C@@H](O)C[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000923427657 643706168 /nfs/dbraw/zinc/70/61/68/643706168.db2.gz UQPGRGJWYVWWJH-INIZCTEOSA-N 2 1 264.413 2.479 20 0 CEADMP O[C@@H](Cc1ccccc1)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923427984 643707227 /nfs/dbraw/zinc/70/72/27/643707227.db2.gz NBBWLIORXIWNCG-ZWKOTPCHSA-N 2 1 288.435 2.056 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000923482729 643731630 /nfs/dbraw/zinc/73/16/30/643731630.db2.gz SNLDZEAHQZTOHC-AWEZNQCLSA-N 2 1 254.418 2.397 20 0 CEADMP CSc1ccc(NC(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923486184 643733025 /nfs/dbraw/zinc/73/30/25/643733025.db2.gz CNPZLBFQSDWLAO-GFCCVEGCSA-N 2 1 293.436 2.018 20 0 CEADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923485294 643733084 /nfs/dbraw/zinc/73/30/84/643733084.db2.gz HBHGELQGBSFPSO-OLZOCXBDSA-N 2 1 293.386 2.132 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)c1C ZINC000923485547 643733239 /nfs/dbraw/zinc/73/32/39/643733239.db2.gz VNDUHVCXSCWAGT-GJZGRUSLSA-N 2 1 289.423 2.301 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ncccc2Br)CC[C@H]1C[NH3+] ZINC000923488355 643735016 /nfs/dbraw/zinc/73/50/16/643735016.db2.gz DTVIELMJOKNYKG-MNOVXSKESA-N 2 1 298.228 2.261 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccc(Br)cn2)CC[C@H]1C[NH3+] ZINC000923493557 643737342 /nfs/dbraw/zinc/73/73/42/643737342.db2.gz IMZDDKRXIUYRTL-MNOVXSKESA-N 2 1 298.228 2.261 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cn2)CC[C@H]1C[NH3+] ZINC000923493557 643737346 /nfs/dbraw/zinc/73/73/46/643737346.db2.gz IMZDDKRXIUYRTL-MNOVXSKESA-N 2 1 298.228 2.261 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)CC[C@H]1C[NH3+] ZINC000923498864 643740820 /nfs/dbraw/zinc/74/08/20/643740820.db2.gz QMFCEJIZJMTYFC-JSGCOSHPSA-N 2 1 285.391 2.357 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnc(Cl)s2)CC[C@@H]1C[NH3+] ZINC000923501029 643742395 /nfs/dbraw/zinc/74/23/95/643742395.db2.gz YSPJDUSTNWIERQ-RKDXNWHRSA-N 2 1 259.806 2.213 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)CC[C@@H]1C[NH3+] ZINC000923501029 643742400 /nfs/dbraw/zinc/74/24/00/643742400.db2.gz YSPJDUSTNWIERQ-RKDXNWHRSA-N 2 1 259.806 2.213 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2F)CC[C@@H]1C[NH3+] ZINC000923500947 643742619 /nfs/dbraw/zinc/74/26/19/643742619.db2.gz SJVTXCFFRWJCAV-CHWSQXEVSA-N 2 1 293.386 2.071 20 0 CEADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504687 643742998 /nfs/dbraw/zinc/74/29/98/643742998.db2.gz SUOSQNHDMMDIMJ-QLFBSQMISA-N 2 1 289.423 2.239 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923504721 643743024 /nfs/dbraw/zinc/74/30/24/643743024.db2.gz UMZLZBBCVJIFHI-OLZOCXBDSA-N 2 1 266.360 2.121 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923504720 643743348 /nfs/dbraw/zinc/74/33/48/643743348.db2.gz UMZLZBBCVJIFHI-CHWSQXEVSA-N 2 1 266.360 2.121 20 0 CEADMP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2Cl)CC[C@H]1C[NH3+] ZINC000923510359 643746426 /nfs/dbraw/zinc/74/64/26/643746426.db2.gz SOCPGAGCOUOIRN-NEPJUHHUSA-N 2 1 295.814 2.195 20 0 CEADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2Cl)CC[C@H]1C[NH3+] ZINC000923510359 643746427 /nfs/dbraw/zinc/74/64/27/643746427.db2.gz SOCPGAGCOUOIRN-NEPJUHHUSA-N 2 1 295.814 2.195 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923515885 643747373 /nfs/dbraw/zinc/74/73/73/643747373.db2.gz LCXBFKFJDSCHSJ-RBSFLKMASA-N 2 1 289.423 2.157 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923515885 643747376 /nfs/dbraw/zinc/74/73/76/643747376.db2.gz LCXBFKFJDSCHSJ-RBSFLKMASA-N 2 1 289.423 2.157 20 0 CEADMP C[C@@]1(Cc2cccs2)CCC[N@H+]1CCOCC[NH3+] ZINC000923529292 643752371 /nfs/dbraw/zinc/75/23/71/643752371.db2.gz CECACQNFIUKIBG-AWEZNQCLSA-N 2 1 268.426 2.120 20 0 CEADMP COC(=O)[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000923551179 643762381 /nfs/dbraw/zinc/76/23/81/643762381.db2.gz KIKLFQRYTOCSFG-QUHHJHJSSA-N 2 1 294.439 2.181 20 0 CEADMP Cc1cc(CO)cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)[nH+]1 ZINC000853411601 643765413 /nfs/dbraw/zinc/76/54/13/643765413.db2.gz OMRYZJILCVBVEA-KBPBESRZSA-N 2 1 263.385 2.167 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccccc3F)CC[C@@H]21 ZINC000877739803 650883059 /nfs/dbraw/zinc/88/30/59/650883059.db2.gz HGTRZWHKLILSBB-ZBFHGGJFSA-N 2 1 262.372 2.394 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccccc3F)CC[C@@H]21 ZINC000877739803 650883060 /nfs/dbraw/zinc/88/30/60/650883060.db2.gz HGTRZWHKLILSBB-ZBFHGGJFSA-N 2 1 262.372 2.394 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccccc3F)CC[C@@H]21 ZINC000877739803 650883063 /nfs/dbraw/zinc/88/30/63/650883063.db2.gz HGTRZWHKLILSBB-ZBFHGGJFSA-N 2 1 262.372 2.394 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccccc3F)CC[C@@H]21 ZINC000877739803 650883065 /nfs/dbraw/zinc/88/30/65/650883065.db2.gz HGTRZWHKLILSBB-ZBFHGGJFSA-N 2 1 262.372 2.394 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)C1CCCC1 ZINC000877740971 650884690 /nfs/dbraw/zinc/88/46/90/650884690.db2.gz LKRJODFNVJAWQA-OWCLPIDISA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)C1CCCC1 ZINC000877740971 650884694 /nfs/dbraw/zinc/88/46/94/650884694.db2.gz LKRJODFNVJAWQA-OWCLPIDISA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)C1CCCC1 ZINC000877740971 650884697 /nfs/dbraw/zinc/88/46/97/650884697.db2.gz LKRJODFNVJAWQA-OWCLPIDISA-N 2 1 266.429 2.218 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc4n[nH]cc43)CC[C@@H]21 ZINC000877742449 650885217 /nfs/dbraw/zinc/88/52/17/650885217.db2.gz ZCENDCBSVWPGTL-BBRMVZONSA-N 2 1 270.380 2.089 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc4n[nH]cc43)CC[C@@H]21 ZINC000877742449 650885220 /nfs/dbraw/zinc/88/52/20/650885220.db2.gz ZCENDCBSVWPGTL-BBRMVZONSA-N 2 1 270.380 2.089 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc4n[nH]cc43)CC[C@@H]21 ZINC000877742449 650885223 /nfs/dbraw/zinc/88/52/23/650885223.db2.gz ZCENDCBSVWPGTL-BBRMVZONSA-N 2 1 270.380 2.089 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)C2CC2)C1 ZINC000838845833 644044076 /nfs/dbraw/zinc/04/40/76/644044076.db2.gz WNDQYPODDHXSQK-VYDXJSESSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)C2CC2)C1 ZINC000838845833 644044079 /nfs/dbraw/zinc/04/40/79/644044079.db2.gz WNDQYPODDHXSQK-VYDXJSESSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000838845833 644044082 /nfs/dbraw/zinc/04/40/82/644044082.db2.gz WNDQYPODDHXSQK-VYDXJSESSA-N 2 1 280.456 2.344 20 0 CEADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877744321 650890892 /nfs/dbraw/zinc/89/08/92/650890892.db2.gz RNAJJCOFOOVMDE-NVXWUHKLSA-N 2 1 287.407 2.171 20 0 CEADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877744321 650890894 /nfs/dbraw/zinc/89/08/94/650890894.db2.gz RNAJJCOFOOVMDE-NVXWUHKLSA-N 2 1 287.407 2.171 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877744321 650890897 /nfs/dbraw/zinc/89/08/97/650890897.db2.gz RNAJJCOFOOVMDE-NVXWUHKLSA-N 2 1 287.407 2.171 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877744321 650890898 /nfs/dbraw/zinc/89/08/98/650890898.db2.gz RNAJJCOFOOVMDE-NVXWUHKLSA-N 2 1 287.407 2.171 20 0 CEADMP Cc1nn(C)c(Cl)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839183488 644182551 /nfs/dbraw/zinc/18/25/51/644182551.db2.gz WZLIKFXAWJHSLG-LBPRGKRZSA-N 2 1 284.835 2.203 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(F)nc2)C1 ZINC000839182870 644182699 /nfs/dbraw/zinc/18/26/99/644182699.db2.gz QQHNQLSXAPVWEI-LBPRGKRZSA-N 2 1 251.349 2.042 20 0 CEADMP C[C@H](Cc1cccc(F)c1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000839195372 644189679 /nfs/dbraw/zinc/18/96/79/644189679.db2.gz HZEPJXKQJLKDAN-PBHICJAKSA-N 2 1 294.414 2.145 20 0 CEADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000839195372 644189682 /nfs/dbraw/zinc/18/96/82/644189682.db2.gz HZEPJXKQJLKDAN-PBHICJAKSA-N 2 1 294.414 2.145 20 0 CEADMP CCn1ncnc1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767521 650903367 /nfs/dbraw/zinc/90/33/67/650903367.db2.gz LVMBBZQSHNSTSC-UHFFFAOYSA-N 2 1 293.459 2.098 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000855167363 644264801 /nfs/dbraw/zinc/26/48/01/644264801.db2.gz YYDACMFYCFGTHM-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000855167363 644264810 /nfs/dbraw/zinc/26/48/10/644264810.db2.gz YYDACMFYCFGTHM-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000855167363 644264816 /nfs/dbraw/zinc/26/48/16/644264816.db2.gz YYDACMFYCFGTHM-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000886612031 644264802 /nfs/dbraw/zinc/26/48/02/644264802.db2.gz AACPEPPXCSGICY-MGPQQGTHSA-N 2 1 270.417 2.038 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000886612031 644264808 /nfs/dbraw/zinc/26/48/08/644264808.db2.gz AACPEPPXCSGICY-MGPQQGTHSA-N 2 1 270.417 2.038 20 0 CEADMP Cc1noc(C)c1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000754796353 644432078 /nfs/dbraw/zinc/43/20/78/644432078.db2.gz VTNXLCQUUKLTLX-CABCVRRESA-N 2 1 277.412 2.440 20 0 CEADMP Cc1[nH+]ccn1CCOC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC000754869551 644444222 /nfs/dbraw/zinc/44/42/22/644444222.db2.gz PDUFZOXUGARHKS-UHFFFAOYSA-N 2 1 293.411 2.388 20 0 CEADMP Cc1[nH+]ccn1CCOC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC000754869551 644444224 /nfs/dbraw/zinc/44/42/24/644444224.db2.gz PDUFZOXUGARHKS-UHFFFAOYSA-N 2 1 293.411 2.388 20 0 CEADMP CCOc1cncc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000856771708 644718500 /nfs/dbraw/zinc/71/85/00/644718500.db2.gz KRZHBMBVRLWZMO-HUUCEWRRSA-N 2 1 277.412 2.443 20 0 CEADMP c1[nH]nc2c1CCC[C@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000857871452 644991154 /nfs/dbraw/zinc/99/11/54/644991154.db2.gz PMFCGCNONMRADC-MRXNPFEDSA-N 2 1 288.439 2.499 20 0 CEADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCF)CC2)CC1 ZINC000759345797 645014977 /nfs/dbraw/zinc/01/49/77/645014977.db2.gz JKIKBPVGJYPAOI-UHFFFAOYSA-N 2 1 285.451 2.084 20 0 CEADMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858105269 645062665 /nfs/dbraw/zinc/06/26/65/645062665.db2.gz LAGQEQXRVAERFD-UKRRQHHQSA-N 2 1 292.423 2.191 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)CC1(C)C ZINC000858156941 645077244 /nfs/dbraw/zinc/07/72/44/645077244.db2.gz UGHDWQILCXTRFZ-ZIAGYGMSSA-N 2 1 282.428 2.135 20 0 CEADMP CC(C)(C[NH2+]Cc1ccnc(F)c1)C[NH+]1CCCC1 ZINC000858160068 645078744 /nfs/dbraw/zinc/07/87/44/645078744.db2.gz BVQJGBGNBXXEEK-UHFFFAOYSA-N 2 1 265.376 2.432 20 0 CEADMP C[NH+](C)Cc1cnc(CNC[C@H]2CCCC[N@H+](C)C2)s1 ZINC000858246194 645098182 /nfs/dbraw/zinc/09/81/82/645098182.db2.gz XIGVSOWVZLEQRE-CYBMUJFWSA-N 2 1 296.484 2.026 20 0 CEADMP C[NH+](C)Cc1cnc(CNC[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000858246194 645098185 /nfs/dbraw/zinc/09/81/85/645098185.db2.gz XIGVSOWVZLEQRE-CYBMUJFWSA-N 2 1 296.484 2.026 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@H]2CCC[C@@H]2O1)C[C@H]1CCC[NH+](C)C1 ZINC000878126815 651008769 /nfs/dbraw/zinc/00/87/69/651008769.db2.gz YGEBETDJWZJKLR-FZKCQIBNSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](C[C@@H]1C[C@H]2CCC[C@@H]2O1)C[C@H]1CCC[N@H+](C)C1 ZINC000878126815 651008773 /nfs/dbraw/zinc/00/87/73/651008773.db2.gz YGEBETDJWZJKLR-FZKCQIBNSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](C[C@@H]1C[C@H]2CCC[C@@H]2O1)C[C@H]1CCC[N@@H+](C)C1 ZINC000878126815 651008775 /nfs/dbraw/zinc/00/87/75/651008775.db2.gz YGEBETDJWZJKLR-FZKCQIBNSA-N 2 1 266.429 2.218 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000762925338 645481116 /nfs/dbraw/zinc/48/11/16/645481116.db2.gz FKJSWLPFHDNXNP-UHFFFAOYSA-N 2 1 293.411 2.057 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCCOC(F)(F)F)CC[N@@H+]1C ZINC000878163799 651020010 /nfs/dbraw/zinc/02/00/10/651020010.db2.gz WRRCCZLUMIOOSH-QWRGUYRKSA-N 2 1 268.323 2.327 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCCOC(F)(F)F)CC[N@H+]1C ZINC000878163799 651020011 /nfs/dbraw/zinc/02/00/11/651020011.db2.gz WRRCCZLUMIOOSH-QWRGUYRKSA-N 2 1 268.323 2.327 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCCOC(F)(F)F)CC[NH+]1C ZINC000878163799 651020013 /nfs/dbraw/zinc/02/00/13/651020013.db2.gz WRRCCZLUMIOOSH-QWRGUYRKSA-N 2 1 268.323 2.327 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCCOC(F)(F)F)CC[NH+]1C ZINC000878163799 651020014 /nfs/dbraw/zinc/02/00/14/651020014.db2.gz WRRCCZLUMIOOSH-QWRGUYRKSA-N 2 1 268.323 2.327 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC3(CCOCC3)O2)CC[N@@H+]1C ZINC000878163838 651020129 /nfs/dbraw/zinc/02/01/29/651020129.db2.gz XLRSITAWVQNTHW-OAGGEKHMSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC3(CCOCC3)O2)CC[N@H+]1C ZINC000878163838 651020133 /nfs/dbraw/zinc/02/01/33/651020133.db2.gz XLRSITAWVQNTHW-OAGGEKHMSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC3(CCOCC3)O2)CC[NH+]1C ZINC000878163838 651020135 /nfs/dbraw/zinc/02/01/35/651020135.db2.gz XLRSITAWVQNTHW-OAGGEKHMSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC3(CCOCC3)O2)CC[NH+]1C ZINC000878163838 651020136 /nfs/dbraw/zinc/02/01/36/651020136.db2.gz XLRSITAWVQNTHW-OAGGEKHMSA-N 2 1 296.455 2.129 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)C2CC2)C1 ZINC000767412264 645987774 /nfs/dbraw/zinc/98/77/74/645987774.db2.gz SQAFHELZZNMOOB-CYBMUJFWSA-N 2 1 252.402 2.019 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)C2CC2)C1 ZINC000767412264 645987776 /nfs/dbraw/zinc/98/77/76/645987776.db2.gz SQAFHELZZNMOOB-CYBMUJFWSA-N 2 1 252.402 2.019 20 0 CEADMP CCc1noc(C)c1[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000769875573 646329878 /nfs/dbraw/zinc/32/98/78/646329878.db2.gz WANHWBDTTHOCDW-SNVBAGLBSA-N 2 1 262.357 2.401 20 0 CEADMP Cc1c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccnc1F ZINC000862481952 646475269 /nfs/dbraw/zinc/47/52/69/646475269.db2.gz BSHDKRHRWLZBNA-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP Cc1c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)ccnc1F ZINC000862481952 646475274 /nfs/dbraw/zinc/47/52/74/646475274.db2.gz BSHDKRHRWLZBNA-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000771392779 646516511 /nfs/dbraw/zinc/51/65/11/646516511.db2.gz AQDXDUYXIYCSQZ-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000771392779 646516514 /nfs/dbraw/zinc/51/65/14/646516514.db2.gz AQDXDUYXIYCSQZ-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000771392779 646516516 /nfs/dbraw/zinc/51/65/16/646516516.db2.gz AQDXDUYXIYCSQZ-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000771392779 646516520 /nfs/dbraw/zinc/51/65/20/646516520.db2.gz AQDXDUYXIYCSQZ-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCn1cc[nH+]c1C(C)C ZINC000772985922 646693024 /nfs/dbraw/zinc/69/30/24/646693024.db2.gz UVXGISMSBFUBAV-ZDUSSCGKSA-N 2 1 294.443 2.289 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000773013311 646696442 /nfs/dbraw/zinc/69/64/42/646696442.db2.gz YFVLNQWMIOEGBK-JLSDUUJJSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000773013311 646696444 /nfs/dbraw/zinc/69/64/44/646696444.db2.gz YFVLNQWMIOEGBK-JLSDUUJJSA-N 2 1 288.435 2.400 20 0 CEADMP CC(C)[N@H+](C)CC1CCN(c2nc(N(C)C)cc[nH+]2)CC1 ZINC000774517668 646857047 /nfs/dbraw/zinc/85/70/47/646857047.db2.gz ICTGJIUAMLLOGX-UHFFFAOYSA-N 2 1 291.443 2.099 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(c2nc(N(C)C)cc[nH+]2)CC1 ZINC000774517668 646857059 /nfs/dbraw/zinc/85/70/59/646857059.db2.gz ICTGJIUAMLLOGX-UHFFFAOYSA-N 2 1 291.443 2.099 20 0 CEADMP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000864061400 646877866 /nfs/dbraw/zinc/87/78/66/646877866.db2.gz FOTKVWXCCXNEGG-AWEZNQCLSA-N 2 1 295.471 2.192 20 0 CEADMP Cn1cnc2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)ccc21 ZINC000774811679 646898134 /nfs/dbraw/zinc/89/81/34/646898134.db2.gz UPZHWZQRCLLPAE-UHFFFAOYSA-N 2 1 284.407 2.290 20 0 CEADMP C[C@@H](CNC(=[NH2+])NCCC1CC1)[N@H+]1CCCC[C@@H]1C ZINC000864454251 647009856 /nfs/dbraw/zinc/00/98/56/647009856.db2.gz VFVJEISKJYFAGK-STQMWFEESA-N 2 1 266.433 2.163 20 0 CEADMP Cc1ccc([C@H](CNC(=[NH2+])N[C@@H]2C[C@H]2C)[NH+]2CCCC2)o1 ZINC000864457118 647012659 /nfs/dbraw/zinc/01/26/59/647012659.db2.gz PBTFSQPEYOBTDR-BNOWGMLFSA-N 2 1 290.411 2.247 20 0 CEADMP CCCn1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)nn1 ZINC000865415327 647283179 /nfs/dbraw/zinc/28/31/79/647283179.db2.gz LJFKJLROJULMEN-HNNXBMFYSA-N 2 1 293.459 2.290 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865418179 647284488 /nfs/dbraw/zinc/28/44/88/647284488.db2.gz DZKPNHSUNVSNOM-UHFFFAOYSA-N 2 1 286.335 2.218 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)ccc2N(C)C)C1 ZINC000865417268 647284538 /nfs/dbraw/zinc/28/45/38/647284538.db2.gz DXUGMCGPPINGKY-CYBMUJFWSA-N 2 1 279.403 2.323 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)ccc2N(C)C)C1 ZINC000865417268 647284539 /nfs/dbraw/zinc/28/45/39/647284539.db2.gz DXUGMCGPPINGKY-CYBMUJFWSA-N 2 1 279.403 2.323 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000779406178 647320005 /nfs/dbraw/zinc/32/00/05/647320005.db2.gz UYFVCMBGNRYYJM-UMVBOHGHSA-N 2 1 282.453 2.492 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000779406178 647320008 /nfs/dbraw/zinc/32/00/08/647320008.db2.gz UYFVCMBGNRYYJM-UMVBOHGHSA-N 2 1 282.453 2.492 20 0 CEADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(CC2CCC2)c1 ZINC000865509414 647332671 /nfs/dbraw/zinc/33/26/71/647332671.db2.gz XSVPKJYWBVIPET-SFHVURJKSA-N 2 1 290.451 2.431 20 0 CEADMP C[C@H]1C[C@@H](Nc2cc[nH+]cc2C(F)(F)F)CC[N@H+]1C ZINC000865557942 647360090 /nfs/dbraw/zinc/36/00/90/647360090.db2.gz OCUCNXYCZCITJJ-UWVGGRQHSA-N 2 1 273.302 2.417 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865575995 647367920 /nfs/dbraw/zinc/36/79/20/647367920.db2.gz DAKHLAMECYCVTR-OOHWJJMZSA-N 2 1 297.487 2.391 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865575995 647367923 /nfs/dbraw/zinc/36/79/23/647367923.db2.gz DAKHLAMECYCVTR-OOHWJJMZSA-N 2 1 297.487 2.391 20 0 CEADMP CS[C@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000865733841 647444488 /nfs/dbraw/zinc/44/44/88/647444488.db2.gz XLBKXUQMXWQCMI-MGCOHNPYSA-N 2 1 271.455 2.188 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000865784314 647463073 /nfs/dbraw/zinc/46/30/73/647463073.db2.gz ZAGHZPFWXPGPBW-YVSFHVDLSA-N 2 1 278.440 2.266 20 0 CEADMP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]cc3Cl)CC[C@@H]21 ZINC000866207169 647670659 /nfs/dbraw/zinc/67/06/59/647670659.db2.gz VPASLSCRYPWHAI-PWSUYJOCSA-N 2 1 251.761 2.265 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]cc3Cl)CC[C@@H]21 ZINC000866207169 647670664 /nfs/dbraw/zinc/67/06/64/647670664.db2.gz VPASLSCRYPWHAI-PWSUYJOCSA-N 2 1 251.761 2.265 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)CCc2cccnc2)CC1 ZINC000866215673 647676272 /nfs/dbraw/zinc/67/62/72/647676272.db2.gz NCUNNHTXGZASBK-AWEZNQCLSA-N 2 1 261.413 2.477 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1)C1CC1 ZINC000866238608 647687345 /nfs/dbraw/zinc/68/73/45/647687345.db2.gz MEFJMYHDQMXJDI-OAGGEKHMSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866250880 647695007 /nfs/dbraw/zinc/69/50/07/647695007.db2.gz JLDUAVRKVYOAGD-GJZGRUSLSA-N 2 1 263.385 2.129 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000783216903 647695368 /nfs/dbraw/zinc/69/53/68/647695368.db2.gz VUXYSKVKEYFAFX-QLFBSQMISA-N 2 1 293.480 2.425 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000783216912 647695809 /nfs/dbraw/zinc/69/58/09/647695809.db2.gz WDFUEULSXQJELW-PBHICJAKSA-N 2 1 274.408 2.407 20 0 CEADMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000783247697 647700965 /nfs/dbraw/zinc/70/09/65/647700965.db2.gz IYNXSUSWDUVGMI-NHYWBVRUSA-N 2 1 274.412 2.450 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)C1 ZINC000866263138 647702942 /nfs/dbraw/zinc/70/29/42/647702942.db2.gz NAMLFFMDXZMTRT-VNQPRFMTSA-N 2 1 266.429 2.266 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCc2cccc3cccc1c32 ZINC000866263056 647703041 /nfs/dbraw/zinc/70/30/41/647703041.db2.gz LVKYSBGHSFGTMR-RDJZCZTQSA-N 2 1 284.403 2.339 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000866525266 647815670 /nfs/dbraw/zinc/81/56/70/647815670.db2.gz RFXARZPBISZVFP-XDQVBPFNSA-N 2 1 282.428 2.179 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000866525266 647815672 /nfs/dbraw/zinc/81/56/72/647815672.db2.gz RFXARZPBISZVFP-XDQVBPFNSA-N 2 1 282.428 2.179 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000866525264 647816089 /nfs/dbraw/zinc/81/60/89/647816089.db2.gz RFXARZPBISZVFP-MQYQWHSLSA-N 2 1 282.428 2.179 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000866525264 647816093 /nfs/dbraw/zinc/81/60/93/647816093.db2.gz RFXARZPBISZVFP-MQYQWHSLSA-N 2 1 282.428 2.179 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cc3c([nH]c2=O)CCCC3)CC[N@@H+]1C ZINC000866641053 647852671 /nfs/dbraw/zinc/85/26/71/647852671.db2.gz MYDYAFIQMARUPG-SWLSCSKDSA-N 2 1 289.423 2.238 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cc3c([nH]c2=O)CCCC3)CC[N@H+]1C ZINC000866641053 647852673 /nfs/dbraw/zinc/85/26/73/647852673.db2.gz MYDYAFIQMARUPG-SWLSCSKDSA-N 2 1 289.423 2.238 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCC3CC3)C2)C1 ZINC000866667747 647862726 /nfs/dbraw/zinc/86/27/26/647862726.db2.gz XPFDSHYIOGCKFZ-BZUAXINKSA-N 2 1 266.429 2.395 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000866708001 647878244 /nfs/dbraw/zinc/87/82/44/647878244.db2.gz KWJRTBFEYNLIAD-HIFRSBDPSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000866709984 647879586 /nfs/dbraw/zinc/87/95/86/647879586.db2.gz VJRFAHBKIQNDSC-WCQYABFASA-N 2 1 276.371 2.108 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)n(C)n1 ZINC000793523953 648769394 /nfs/dbraw/zinc/76/93/94/648769394.db2.gz QVEIRWYJQBQIBK-ZDUSSCGKSA-N 2 1 276.428 2.254 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871357533 649070342 /nfs/dbraw/zinc/07/03/42/649070342.db2.gz MRZVJXBYUDWKKM-CKDBGZEDSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)[NH+](C)C ZINC000871798662 649190053 /nfs/dbraw/zinc/19/00/53/649190053.db2.gz PDNVHENDKMTPGD-FGNRJIRKSA-N 2 1 264.373 2.080 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000123862085 649208877 /nfs/dbraw/zinc/20/88/77/649208877.db2.gz FMASGLYMHHOALI-MRXNPFEDSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(C[NH3+])c1 ZINC000019264193 649215382 /nfs/dbraw/zinc/21/53/82/649215382.db2.gz OUXCTIXGVKLQGL-AWEZNQCLSA-N 2 1 289.423 2.140 20 0 CEADMP C[N@@H+](C[C@H]1CC2(CCC2)CO1)C1CCC([NH3+])CC1 ZINC000872141265 649290404 /nfs/dbraw/zinc/29/04/04/649290404.db2.gz AUZXTHZJQODYBB-JXQTWKCFSA-N 2 1 252.402 2.147 20 0 CEADMP C(c1nc2c(o1)CCCC2)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000872142603 649292154 /nfs/dbraw/zinc/29/21/54/649292154.db2.gz BGRAKBFSVVPBNE-UONOGXRCSA-N 2 1 289.423 2.375 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccc(C)c(C(=O)OC)c2)CC[C@@H]1[NH3+] ZINC000872143446 649293259 /nfs/dbraw/zinc/29/32/59/649293259.db2.gz MLPQZJYMHJHCGV-ZBFHGGJFSA-N 2 1 290.407 2.341 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(C)c(C(=O)OC)c2)CC[C@@H]1[NH3+] ZINC000872143446 649293262 /nfs/dbraw/zinc/29/32/62/649293262.db2.gz MLPQZJYMHJHCGV-ZBFHGGJFSA-N 2 1 290.407 2.341 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000872143347 649293269 /nfs/dbraw/zinc/29/32/69/649293269.db2.gz PCRMHLVYZYSCHQ-LVQVYYBASA-N 2 1 264.413 2.020 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)C1CCCCC1 ZINC000872144087 649293955 /nfs/dbraw/zinc/29/39/55/649293955.db2.gz BXJXMECVXBNXTA-CABCVRRESA-N 2 1 266.429 2.443 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)CO2)[C@H]1CC[NH3+] ZINC000872144261 649294661 /nfs/dbraw/zinc/29/46/61/649294661.db2.gz DXKAANWNZVFVCU-KFWWJZLASA-N 2 1 266.429 2.395 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000872144841 649295099 /nfs/dbraw/zinc/29/50/99/649295099.db2.gz KFHVUTRZPORFKH-VGWMRTNUSA-N 2 1 296.455 2.020 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000872153513 649297602 /nfs/dbraw/zinc/29/76/02/649297602.db2.gz DNXCCPHPOPXTKL-GRYCIOLGSA-N 2 1 280.334 2.028 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000872153395 649297617 /nfs/dbraw/zinc/29/76/17/649297617.db2.gz AIJIBTUFLQWVJQ-CABCVRRESA-N 2 1 282.428 2.041 20 0 CEADMP COC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872155949 649299505 /nfs/dbraw/zinc/29/95/05/649299505.db2.gz BGROKDFNMBGYCH-KCQAQPDRSA-N 2 1 282.428 2.168 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cn3ccccc3n2)C1 ZINC000872251554 649328932 /nfs/dbraw/zinc/32/89/32/649328932.db2.gz MBPWVAXHYWJSCA-ZDUSSCGKSA-N 2 1 272.396 2.202 20 0 CEADMP c1cc(NC[C@H]2CC[N@H+](C3CC3)C2)c(C2CC2)c[nH+]1 ZINC000872409297 649383113 /nfs/dbraw/zinc/38/31/13/649383113.db2.gz WWCCVYJUTJRGOU-GFCCVEGCSA-N 2 1 257.381 2.277 20 0 CEADMP CCOc1cccc(F)c1C[NH2+]CCc1c[nH+]cn1C ZINC000873139928 649567672 /nfs/dbraw/zinc/56/76/72/649567672.db2.gz GRECBLQRXBYAIS-UHFFFAOYSA-N 2 1 277.343 2.290 20 0 CEADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@H]1CCCC[C@H]1O ZINC000873207070 649588972 /nfs/dbraw/zinc/58/89/72/649588972.db2.gz PTJZZPLALSTQAJ-IUODEOHRSA-N 2 1 294.464 2.377 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(Cc3cccc4c3NCC4)CC[C@H]21 ZINC000873218994 649594810 /nfs/dbraw/zinc/59/48/10/649594810.db2.gz BOTGMILYISSTBD-GDBMZVCRSA-N 2 1 271.408 2.181 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4c3NCC4)CC[C@H]21 ZINC000873218994 649594812 /nfs/dbraw/zinc/59/48/12/649594812.db2.gz BOTGMILYISSTBD-GDBMZVCRSA-N 2 1 271.408 2.181 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc4c3NCC4)CC[C@H]21 ZINC000873218994 649594814 /nfs/dbraw/zinc/59/48/14/649594814.db2.gz BOTGMILYISSTBD-GDBMZVCRSA-N 2 1 271.408 2.181 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc4c3NCC4)CC[C@H]21 ZINC000873218994 649594816 /nfs/dbraw/zinc/59/48/16/649594816.db2.gz BOTGMILYISSTBD-GDBMZVCRSA-N 2 1 271.408 2.181 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc4c3NCC4)CC[C@H]21 ZINC000873218994 649594817 /nfs/dbraw/zinc/59/48/17/649594817.db2.gz BOTGMILYISSTBD-GDBMZVCRSA-N 2 1 271.408 2.181 20 0 CEADMP COCCC1([NH2+]Cc2cc(C)ccc2F)CC[NH2+]CC1 ZINC000873224809 649598636 /nfs/dbraw/zinc/59/86/36/649598636.db2.gz MOQKCPKNKCJXGF-UHFFFAOYSA-N 2 1 280.387 2.382 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)CC[NH2+]1 ZINC000873228270 649599411 /nfs/dbraw/zinc/59/94/11/649599411.db2.gz BTTHJZQTDDLRCR-FDYHWXHSSA-N 2 1 294.361 2.416 20 0 CEADMP Cn1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(-c2ccccc2)n1 ZINC000873228296 649599466 /nfs/dbraw/zinc/59/94/66/649599466.db2.gz CDVSHJASLWZOCQ-FUHWJXTLSA-N 2 1 296.418 2.128 20 0 CEADMP Cn1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(-c2ccccc2)n1 ZINC000873228296 649599469 /nfs/dbraw/zinc/59/94/69/649599469.db2.gz CDVSHJASLWZOCQ-FUHWJXTLSA-N 2 1 296.418 2.128 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+](C)CCCCCC[NH3+] ZINC000873231318 649602912 /nfs/dbraw/zinc/60/29/12/649602912.db2.gz FQMUTWMPHFQWSK-UHFFFAOYSA-N 2 1 280.460 2.496 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCCS1)c1c[nH+]ccc1N ZINC000873245139 649607224 /nfs/dbraw/zinc/60/72/24/649607224.db2.gz XPQWQHPJWACMJX-QWRGUYRKSA-N 2 1 251.399 2.430 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873256788 649612845 /nfs/dbraw/zinc/61/28/45/649612845.db2.gz OGDRNSOZNMHZID-DKIMLUQUSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000873256788 649612847 /nfs/dbraw/zinc/61/28/47/649612847.db2.gz OGDRNSOZNMHZID-DKIMLUQUSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873259210 649613732 /nfs/dbraw/zinc/61/37/32/649613732.db2.gz ZWTRDPLNUNLCQI-DDBAPUKQSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873259210 649613736 /nfs/dbraw/zinc/61/37/36/649613736.db2.gz ZWTRDPLNUNLCQI-DDBAPUKQSA-N 3 1 287.451 2.224 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cc2c([nH]c1=O)CCCC2 ZINC000873276570 649622084 /nfs/dbraw/zinc/62/20/84/649622084.db2.gz QFYGFFSANBGPIN-HOCLYGCPSA-N 2 1 289.423 2.416 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2Cc3ccccc3C[NH2+]2)[C@@H]2CCC[C@@H]21 ZINC000873296960 649632677 /nfs/dbraw/zinc/63/26/77/649632677.db2.gz OKWNFGCAGRMESA-VJANTYMQSA-N 2 1 299.462 2.163 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CN2)[C@@H]2CCC[C@@H]21 ZINC000873296960 649632678 /nfs/dbraw/zinc/63/26/78/649632678.db2.gz OKWNFGCAGRMESA-VJANTYMQSA-N 2 1 299.462 2.163 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CN2)[C@@H]2CCC[C@@H]21 ZINC000873296960 649632680 /nfs/dbraw/zinc/63/26/80/649632680.db2.gz OKWNFGCAGRMESA-VJANTYMQSA-N 2 1 299.462 2.163 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CC4(CCC4)CO3)C2)C1 ZINC000878652828 651153369 /nfs/dbraw/zinc/15/33/69/651153369.db2.gz UEPYKSRTDNOWNK-DOTOQJQBSA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3CC4(CCC4)CO3)C2)C1 ZINC000878652828 651153371 /nfs/dbraw/zinc/15/33/71/651153371.db2.gz UEPYKSRTDNOWNK-DOTOQJQBSA-N 2 1 278.440 2.363 20 0 CEADMP CO[C@H]1CC[C@@H](C)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000879327597 651287227 /nfs/dbraw/zinc/28/72/27/651287227.db2.gz WYEWEIRJMOFBHS-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)C[N@H+](Cc1cnc[nH]1)CC1CC[NH+](C)CC1 ZINC000879704610 651341637 /nfs/dbraw/zinc/34/16/37/651341637.db2.gz PZPYPSAKKSNCTI-UHFFFAOYSA-N 2 1 264.417 2.210 20 0 CEADMP CC(C)C[N@@H+](Cc1c[nH]cn1)CC1CC[NH+](C)CC1 ZINC000879704610 651341639 /nfs/dbraw/zinc/34/16/39/651341639.db2.gz PZPYPSAKKSNCTI-UHFFFAOYSA-N 2 1 264.417 2.210 20 0 CEADMP CC(C)C[N@H+](Cc1c[nH]cn1)CC1CC[NH+](C)CC1 ZINC000879704610 651341641 /nfs/dbraw/zinc/34/16/41/651341641.db2.gz PZPYPSAKKSNCTI-UHFFFAOYSA-N 2 1 264.417 2.210 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@@H+](CCCn2ccnc2C)C1 ZINC000880041705 651378022 /nfs/dbraw/zinc/37/80/22/651378022.db2.gz ULKWNCRJINNRKF-OAHLLOKOSA-N 2 1 293.411 2.247 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000880041705 651378025 /nfs/dbraw/zinc/37/80/25/651378025.db2.gz ULKWNCRJINNRKF-OAHLLOKOSA-N 2 1 293.411 2.247 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000880041705 651378027 /nfs/dbraw/zinc/37/80/27/651378027.db2.gz ULKWNCRJINNRKF-OAHLLOKOSA-N 2 1 293.411 2.247 20 0 CEADMP C[N@@H+](CCN1CC[C@H]2[C@@H]1CCC[NH+]2C)Cc1ccccc1 ZINC000880140637 651390627 /nfs/dbraw/zinc/39/06/27/651390627.db2.gz CHBOAZWCZRWCPB-ROUUACIJSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+](CCN1CC[C@H]2[C@@H]1CCC[N@@H+]2C)Cc1ccccc1 ZINC000880140637 651390628 /nfs/dbraw/zinc/39/06/28/651390628.db2.gz CHBOAZWCZRWCPB-ROUUACIJSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+](CCN1CC[C@H]2[C@@H]1CCC[N@H+]2C)Cc1ccccc1 ZINC000880140637 651390630 /nfs/dbraw/zinc/39/06/30/651390630.db2.gz CHBOAZWCZRWCPB-ROUUACIJSA-N 2 1 287.451 2.287 20 0 CEADMP CC(C)CC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209378 651401754 /nfs/dbraw/zinc/40/17/54/651401754.db2.gz SXQZRRZSTGKEAC-HNNXBMFYSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209378 651401755 /nfs/dbraw/zinc/40/17/55/651401755.db2.gz SXQZRRZSTGKEAC-HNNXBMFYSA-N 2 1 254.418 2.266 20 0 CEADMP CCC1([NH+]2CCCCC2)CC[NH+](CCCC(=O)NC)CC1 ZINC000880255013 651410495 /nfs/dbraw/zinc/41/04/95/651410495.db2.gz WWOWUUIZTCEMIT-UHFFFAOYSA-N 2 1 295.471 2.243 20 0 CEADMP Cc1nocc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258074 651411242 /nfs/dbraw/zinc/41/12/42/651411242.db2.gz BXENWELISNYYET-LBPRGKRZSA-N 2 1 272.352 2.089 20 0 CEADMP Cc1nocc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258074 651411244 /nfs/dbraw/zinc/41/12/44/651411244.db2.gz BXENWELISNYYET-LBPRGKRZSA-N 2 1 272.352 2.089 20 0 CEADMP C[C@H]1C[N@@H+](CCOCC2CCC2)CCN1c1cc[nH+]cc1 ZINC000880259679 651411679 /nfs/dbraw/zinc/41/16/79/651411679.db2.gz YYDSAUDLQXASFK-HNNXBMFYSA-N 2 1 289.423 2.409 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CCN1c1cc[nH+]cc1 ZINC000880261872 651412476 /nfs/dbraw/zinc/41/24/76/651412476.db2.gz ZCYDQEJIQKRCNQ-ZBFHGGJFSA-N 2 1 275.396 2.161 20 0 CEADMP C[C@H]1C[N@@H+](CCc2cscn2)CCN1c1cc[nH+]cc1 ZINC000880261686 651412665 /nfs/dbraw/zinc/41/26/65/651412665.db2.gz YICLUTLLFNBMFG-ZDUSSCGKSA-N 2 1 288.420 2.291 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000883028412 652332170 /nfs/dbraw/zinc/33/21/70/652332170.db2.gz KAMDJGQMHSEHTQ-STQMWFEESA-N 2 1 290.363 2.348 20 0 CEADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000130933553 652358230 /nfs/dbraw/zinc/35/82/30/652358230.db2.gz WYMPJKXUMFKNRR-OLZOCXBDSA-N 2 1 278.396 2.354 20 0 CEADMP CC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC(F)(F)C1 ZINC000883256526 652416039 /nfs/dbraw/zinc/41/60/39/652416039.db2.gz AFMUGAVZFZWARL-CYBMUJFWSA-N 2 1 288.382 2.265 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883416782 652461819 /nfs/dbraw/zinc/46/18/19/652461819.db2.gz DWIKWGVCTQGOQV-BHYGNILZSA-N 2 1 274.408 2.448 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883417395 652462164 /nfs/dbraw/zinc/46/21/64/652462164.db2.gz YUNAKUYXEUZGAS-NUEKZKHPSA-N 2 1 260.381 2.187 20 0 CEADMP C([C@H]1CCC2(CCC2)O1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000883430446 652466889 /nfs/dbraw/zinc/46/68/89/652466889.db2.gz VNARITZBAACUSF-HUUCEWRRSA-N 2 1 264.413 2.164 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000883430065 652466982 /nfs/dbraw/zinc/46/69/82/652466982.db2.gz MLGLJXSKRLMSJH-SYQHCUMBSA-N 2 1 254.418 2.310 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C[C@H]1C[NH3+] ZINC000883433682 652468353 /nfs/dbraw/zinc/46/83/53/652468353.db2.gz WSKLITQGTKIDOL-QXSJWSMHSA-N 2 1 296.455 2.020 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C[C@H]1C[NH3+] ZINC000883433681 652468458 /nfs/dbraw/zinc/46/84/58/652468458.db2.gz WSKLITQGTKIDOL-QKPAOTATSA-N 2 1 296.455 2.020 20 0 CEADMP C=C/C=C/CC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000883434440 652469003 /nfs/dbraw/zinc/46/90/03/652469003.db2.gz RDKHNUOFYXCOFA-QQRBYAPVSA-N 2 1 264.413 2.337 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)o1 ZINC000883439209 652470708 /nfs/dbraw/zinc/47/07/08/652470708.db2.gz LPULGRBTLRVANY-OAHLLOKOSA-N 2 1 265.401 2.488 20 0 CEADMP Cc1ccc2c(C[NH2+][C@H]3C[C@H]([NH3+])C3(C)C)cc(=O)oc2c1 ZINC000883442446 652471710 /nfs/dbraw/zinc/47/17/10/652471710.db2.gz LNRXDNAEXGWLRZ-GJZGRUSLSA-N 2 1 286.375 2.317 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H]2CC3(CO2)CCOCC3)[C@H]1C ZINC000883445568 652472398 /nfs/dbraw/zinc/47/23/98/652472398.db2.gz FJMVSNFVBRBTPW-QXSJWSMHSA-N 2 1 296.455 2.020 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CC3(CO2)CCOCC3)[C@H]1C ZINC000883445568 652472401 /nfs/dbraw/zinc/47/24/01/652472401.db2.gz FJMVSNFVBRBTPW-QXSJWSMHSA-N 2 1 296.455 2.020 20 0 CEADMP C[N@@H+](C[C@H]1CC2(CO1)CCOCC2)C1(C[NH3+])CCCCC1 ZINC000883455159 652475976 /nfs/dbraw/zinc/47/59/76/652475976.db2.gz VJRLXZXNKRQECH-OAHLLOKOSA-N 2 1 296.455 2.166 20 0 CEADMP c1ccc2c(c1)C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCCN21 ZINC000883462716 652478018 /nfs/dbraw/zinc/47/80/18/652478018.db2.gz YCAUTKOJTKCHKK-GDBMZVCRSA-N 2 1 271.408 2.081 20 0 CEADMP Fc1cc2c(cc1F)C[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000883461546 652478070 /nfs/dbraw/zinc/47/80/70/652478070.db2.gz XHLROMXKXZDLHR-LLVKDONJSA-N 2 1 266.335 2.323 20 0 CEADMP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000883462709 652478289 /nfs/dbraw/zinc/47/82/89/652478289.db2.gz XWNLDZVLILIYLV-ZQIUZPCESA-N 2 1 284.403 2.442 20 0 CEADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925482468 652713786 /nfs/dbraw/zinc/71/37/86/652713786.db2.gz MQDBFWBBIXIBKD-IRXDYDNUSA-N 2 1 281.488 2.476 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884191278 652746545 /nfs/dbraw/zinc/74/65/45/652746545.db2.gz ZPRTYSKDAXALGR-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP C[NH2+][C@@H](CC(C)C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000884191156 652746947 /nfs/dbraw/zinc/74/69/47/652746947.db2.gz XJZVBZRTFWRHNL-CVEARBPZSA-N 2 1 297.487 2.249 20 0 CEADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000884229889 652759547 /nfs/dbraw/zinc/75/95/47/652759547.db2.gz CUMDIIVQCLVMBM-CYBMUJFWSA-N 2 1 278.400 2.096 20 0 CEADMP Cc1n[nH]c(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1C ZINC000885927706 653070188 /nfs/dbraw/zinc/07/01/88/653070188.db2.gz VWQGLNLFXIZYGO-LBPRGKRZSA-N 2 1 264.417 2.238 20 0 CEADMP CCc1cc(N(C)CC2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000272900633 721935082 /nfs/dbraw/zinc/93/50/82/721935082.db2.gz PMCSYRXNQGRKDJ-UHFFFAOYSA-N 2 1 262.401 2.125 20 0 CEADMP CC[NH+](CC)C1CCN(c2cc(N(C)C)nc(C)[nH+]2)CC1 ZINC001165051174 722000691 /nfs/dbraw/zinc/00/06/91/722000691.db2.gz CXYGVDRAGKJUMJ-UHFFFAOYSA-N 2 1 291.443 2.162 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CCC(C)C)C1 ZINC001270831037 805579682 /nfs/dbraw/zinc/57/96/82/805579682.db2.gz VONUMCROXWMECB-KRWDZBQOSA-N 2 1 297.487 2.203 20 0 CEADMP CO[C@@H](C)C1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168004184 805649172 /nfs/dbraw/zinc/64/91/72/805649172.db2.gz RMBVQIISKFSASM-QIXHYMPYSA-N 2 1 278.440 2.359 20 0 CEADMP CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001038443939 805702180 /nfs/dbraw/zinc/70/21/80/805702180.db2.gz KAIYAXFWIZOMMR-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001038443939 805702183 /nfs/dbraw/zinc/70/21/83/805702183.db2.gz KAIYAXFWIZOMMR-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001038443939 805702185 /nfs/dbraw/zinc/70/21/85/805702185.db2.gz KAIYAXFWIZOMMR-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271311179 805911809 /nfs/dbraw/zinc/91/18/09/805911809.db2.gz KMARXNZYMYPKMO-JKSUJKDBSA-N 2 1 295.471 2.025 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)C(C)C)C1 ZINC001029751381 806062910 /nfs/dbraw/zinc/06/29/10/806062910.db2.gz SXJVDWPDKGVPNQ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)C(C)C)C1 ZINC001029751381 806062918 /nfs/dbraw/zinc/06/29/18/806062918.db2.gz SXJVDWPDKGVPNQ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC001029751381 806062926 /nfs/dbraw/zinc/06/29/26/806062926.db2.gz SXJVDWPDKGVPNQ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCCCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001271862516 806122736 /nfs/dbraw/zinc/12/27/36/806122736.db2.gz YLKWGTNTMDZAFM-HZPDHXFCSA-N 2 1 297.487 2.391 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001271931121 806144500 /nfs/dbraw/zinc/14/45/00/806144500.db2.gz HVKJSZYZXABJJL-UAGQMJEPSA-N 2 1 293.455 2.042 20 0 CEADMP CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001088381273 806173359 /nfs/dbraw/zinc/17/33/59/806173359.db2.gz ATNCYBNJFGZULU-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@H](C)C2)[C@H](C)C1 ZINC001168103337 806167429 /nfs/dbraw/zinc/16/74/29/806167429.db2.gz IWIPRSDSQMWGHN-KBUPBQIOSA-N 2 1 254.418 2.262 20 0 CEADMP CC(C)[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001088382382 806174790 /nfs/dbraw/zinc/17/47/90/806174790.db2.gz ZUZCGGIGYMSABK-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168131001 806255579 /nfs/dbraw/zinc/25/55/79/806255579.db2.gz KIYZBTUCTHTQTI-USXIJHARSA-N 2 1 296.455 2.129 20 0 CEADMP CCCCOC(=O)[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168297510 806635613 /nfs/dbraw/zinc/63/56/13/806635613.db2.gz ACHXVEMGSNYZNW-HSBZDZAISA-N 2 1 270.417 2.181 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)C[C@H]2CCCCO2)CC1 ZINC001168323671 806654396 /nfs/dbraw/zinc/65/43/96/806654396.db2.gz ABYVQLSOSOVNPK-YMAMQOFZSA-N 2 1 254.418 2.360 20 0 CEADMP OC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccs1 ZINC001168359620 806700325 /nfs/dbraw/zinc/70/03/25/806700325.db2.gz CWGDKTRFFIKTTB-AWEZNQCLSA-N 2 1 280.437 2.246 20 0 CEADMP CCCCC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001266246639 802315632 /nfs/dbraw/zinc/31/56/32/802315632.db2.gz UBYFFLBYQQPPQX-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266246639 802315642 /nfs/dbraw/zinc/31/56/42/802315642.db2.gz UBYFFLBYQQPPQX-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266246639 802315651 /nfs/dbraw/zinc/31/56/51/802315651.db2.gz UBYFFLBYQQPPQX-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@@]3(C2)CCCOC3)CC1 ZINC001208108689 802342530 /nfs/dbraw/zinc/34/25/30/802342530.db2.gz GRIBTDOXORHCKS-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001208130414 802349738 /nfs/dbraw/zinc/34/97/38/802349738.db2.gz DRRTYFVVIRXZDL-AWEZNQCLSA-N 2 1 279.403 2.066 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208183352 802376266 /nfs/dbraw/zinc/37/62/66/802376266.db2.gz BCNDVQTWDPQKKC-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)CC1 ZINC001208595134 802387014 /nfs/dbraw/zinc/38/70/14/802387014.db2.gz PXFJTLQEECIHEW-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(Oc3ccncc3)CC2)C1 ZINC001208606420 802388977 /nfs/dbraw/zinc/38/89/77/802388977.db2.gz FTOPVNKYHDWSOR-HNNXBMFYSA-N 2 1 289.423 2.267 20 0 CEADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)CC1 ZINC001208603507 802390455 /nfs/dbraw/zinc/39/04/55/802390455.db2.gz CXADJMWMAUPWIB-LSDHHAIUSA-N 2 1 264.413 2.019 20 0 CEADMP CC[NH+](CC)CCN1CC[NH+](C[C@@H](C)C(F)(F)F)CC1 ZINC001208886795 802430116 /nfs/dbraw/zinc/43/01/16/802430116.db2.gz HHDBVZQJJPGJPZ-CYBMUJFWSA-N 2 1 295.393 2.144 20 0 CEADMP CC/C=C/CC[N@@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001266362822 802490355 /nfs/dbraw/zinc/49/03/55/802490355.db2.gz WHTLIAOGKPKNCT-YCZSJOHXSA-N 2 1 295.471 2.264 20 0 CEADMP C[NH+](C)CCn1cc(Nc2ccc3[nH]c[nH+]c3c2)cn1 ZINC001209841355 802575443 /nfs/dbraw/zinc/57/54/43/802575443.db2.gz KMPNSVZBUGHROY-UHFFFAOYSA-N 2 1 270.340 2.065 20 0 CEADMP CCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001167240919 802598784 /nfs/dbraw/zinc/59/87/84/802598784.db2.gz VNMWRUWLEGYORY-UHFFFAOYSA-N 2 1 297.487 2.250 20 0 CEADMP C[N@H+]1CC[C@H](Nc2ccc3c(c2)C2(CC3)CC[NH2+]CC2)C1 ZINC001167275162 802622790 /nfs/dbraw/zinc/62/27/90/802622790.db2.gz HPWXFALAXMCCCK-INIZCTEOSA-N 2 1 285.435 2.370 20 0 CEADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266514898 802665051 /nfs/dbraw/zinc/66/50/51/802665051.db2.gz IZKRJVNDXMGVJB-LGZALOBFSA-N 2 1 293.455 2.018 20 0 CEADMP O=C1CC(Nc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)C1 ZINC001167341365 802708284 /nfs/dbraw/zinc/70/82/84/802708284.db2.gz UQVXQXFXBVFURR-CQSZACIVSA-N 2 1 298.390 2.494 20 0 CEADMP COC(=O)c1cccc(C[N@@H+](C)CCCCCC[NH3+])c1 ZINC000710843558 809996845 /nfs/dbraw/zinc/99/68/45/809996845.db2.gz WSEMNDZONTYBGT-UHFFFAOYSA-N 2 1 278.396 2.424 20 0 CEADMP CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385588 802763055 /nfs/dbraw/zinc/76/30/55/802763055.db2.gz JWAJXEQJVXMRCF-OAHLLOKOSA-N 2 1 295.471 2.145 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000721445217 802776506 /nfs/dbraw/zinc/77/65/06/802776506.db2.gz LXWMOCGSCLRECC-SRVKXCTJSA-N 2 1 280.334 2.157 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721451934 802796917 /nfs/dbraw/zinc/79/69/17/802796917.db2.gz YOMXRCCESQMSLP-TUAOUCFPSA-N 2 1 282.350 2.402 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCC(C)(C)C ZINC001127066513 807002984 /nfs/dbraw/zinc/00/29/84/807002984.db2.gz PNTMZQIAGJCYGI-OAHLLOKOSA-N 2 1 297.487 2.391 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723674873 802922692 /nfs/dbraw/zinc/92/26/92/802922692.db2.gz DZGWFJHFVAHKGP-HNNXBMFYSA-N 2 1 262.397 2.353 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cscn2)[C@@H]1CCC[NH3+] ZINC000693459055 802925741 /nfs/dbraw/zinc/92/57/41/802925741.db2.gz MNMDUUCNDXADFZ-DGCLKSJQSA-N 2 1 253.415 2.483 20 0 CEADMP CCCCCC[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000398955617 802927280 /nfs/dbraw/zinc/92/72/80/802927280.db2.gz HRDPUZQDZFELGX-CQSZACIVSA-N 2 1 256.434 2.392 20 0 CEADMP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001266856918 802947364 /nfs/dbraw/zinc/94/73/64/802947364.db2.gz IHYIKZMXKAHYOH-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)CO2)C[C@H]1CC[NH3+] ZINC000723886868 802964362 /nfs/dbraw/zinc/96/43/62/802964362.db2.gz MXNAPOJMNIUPKP-RBSFLKMASA-N 2 1 266.429 2.252 20 0 CEADMP C1CC1[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCOC1 ZINC000723979107 802984374 /nfs/dbraw/zinc/98/43/74/802984374.db2.gz VGQZMYGTYJOOFK-YYIAUSFCSA-N 2 1 278.440 2.408 20 0 CEADMP FC(F)(F)[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)O1 ZINC000721489678 803037103 /nfs/dbraw/zinc/03/71/03/803037103.db2.gz DHYAMSJTVCXMNM-RVMXOQNASA-N 2 1 292.345 2.313 20 0 CEADMP C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1CC1 ZINC001132436161 812851935 /nfs/dbraw/zinc/85/19/35/812851935.db2.gz JFDYDLQPCWQPKV-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CO[C@H]1CC[C@H]1[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000724221677 803064006 /nfs/dbraw/zinc/06/40/06/803064006.db2.gz XLRGPFNKDSHWKX-ZKXZWOTCSA-N 2 1 252.402 2.016 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896734 813172743 /nfs/dbraw/zinc/17/27/43/813172743.db2.gz QVBINODOWIXSIT-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000693584965 803137781 /nfs/dbraw/zinc/13/77/81/803137781.db2.gz GHKFYKPXTJFVCM-KURKYZTESA-N 3 1 287.451 2.178 20 0 CEADMP C[NH+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000693584965 803137785 /nfs/dbraw/zinc/13/77/85/803137785.db2.gz GHKFYKPXTJFVCM-KURKYZTESA-N 3 1 287.451 2.178 20 0 CEADMP C[NH+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000693584965 803137790 /nfs/dbraw/zinc/13/77/90/803137790.db2.gz GHKFYKPXTJFVCM-KURKYZTESA-N 3 1 287.451 2.178 20 0 CEADMP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000693584965 803137794 /nfs/dbraw/zinc/13/77/94/803137794.db2.gz GHKFYKPXTJFVCM-KURKYZTESA-N 2 1 287.451 2.178 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000693584965 803137799 /nfs/dbraw/zinc/13/77/99/803137799.db2.gz GHKFYKPXTJFVCM-KURKYZTESA-N 2 1 287.451 2.178 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](COCc3ccccc3)C2)C1 ZINC000693593506 803143054 /nfs/dbraw/zinc/14/30/54/803143054.db2.gz YCNSSUNGZQEQQF-YESZJQIVSA-N 2 1 274.408 2.262 20 0 CEADMP CN(C)c1nc(N2C(C)(C)CC([NH3+])CC2(C)C)cc[nH+]1 ZINC001167624587 803211597 /nfs/dbraw/zinc/21/15/97/803211597.db2.gz ZADFYFBPFAVQAZ-UHFFFAOYSA-N 2 1 277.416 2.027 20 0 CEADMP CC[C@@H]([NH3+])CC[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246303591 813766514 /nfs/dbraw/zinc/76/65/14/813766514.db2.gz ABBKNCPBMCCTAQ-ZIAGYGMSSA-N 3 1 253.434 2.158 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)[C@H]1C ZINC000715406741 814955139 /nfs/dbraw/zinc/95/51/39/814955139.db2.gz YVIUZYFYKWRJOA-XHXGSEDSSA-N 2 1 266.429 2.392 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)[C@H]1C ZINC000715406741 814955144 /nfs/dbraw/zinc/95/51/44/814955144.db2.gz YVIUZYFYKWRJOA-XHXGSEDSSA-N 2 1 266.429 2.392 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1COCC1(C)C ZINC000313115471 803676587 /nfs/dbraw/zinc/67/65/87/803676587.db2.gz IBBQUNOUKDGKDC-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH+](C)Cc1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1 ZINC001204638309 803761762 /nfs/dbraw/zinc/76/17/62/803761762.db2.gz CVUGSAPAJYBLFA-UHFFFAOYSA-N 2 1 296.418 2.220 20 0 CEADMP CC[C@@H](CCC(=O)OC)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222232487 803815728 /nfs/dbraw/zinc/81/57/28/803815728.db2.gz VLVTYNXVICHFDM-GOEBONIOSA-N 2 1 282.428 2.184 20 0 CEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC001117953679 814969159 /nfs/dbraw/zinc/96/91/59/814969159.db2.gz LMGIXSMJVXFTNT-AWEZNQCLSA-N 2 1 272.396 2.019 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001027628434 804162951 /nfs/dbraw/zinc/16/29/51/804162951.db2.gz BERAUOBQDUZCAF-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)[C@H]1CCCC[NH2+]1 ZINC000722321193 804281959 /nfs/dbraw/zinc/28/19/59/804281959.db2.gz OYIXBZGSNGQCAO-MHEUCROKSA-N 2 1 252.402 2.064 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001027878581 804315354 /nfs/dbraw/zinc/31/53/54/804315354.db2.gz DQUQQEOSXUSEGM-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001027878581 804315361 /nfs/dbraw/zinc/31/53/61/804315361.db2.gz DQUQQEOSXUSEGM-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001027878581 804315371 /nfs/dbraw/zinc/31/53/71/804315371.db2.gz DQUQQEOSXUSEGM-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)CCN1CCOCC1 ZINC001167838414 804430843 /nfs/dbraw/zinc/43/08/43/804430843.db2.gz UFVHDGJGMCJACA-QGZVFWFLSA-N 2 1 299.503 2.151 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](O)C[C@@H]1C ZINC001167839315 804435148 /nfs/dbraw/zinc/43/51/48/804435148.db2.gz XIWSNHXONUXLAL-SOUVJXGZSA-N 2 1 256.434 2.342 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC001167840381 804438965 /nfs/dbraw/zinc/43/89/65/804438965.db2.gz FZTUZWAHQUQKGM-GOEBONIOSA-N 2 1 283.460 2.050 20 0 CEADMP C[C@H](CC[NH2+]CCC1CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268396443 804650969 /nfs/dbraw/zinc/65/09/69/804650969.db2.gz WTCJOOLXHQIADH-YCPHGPKFSA-N 2 1 295.471 2.001 20 0 CEADMP [NH2+]=C(Nc1cc[nH+]c(N2CCCCC2)c1)SCC[NH3+] ZINC001167915054 804703756 /nfs/dbraw/zinc/70/37/56/804703756.db2.gz QKNCBPFWNUITKE-UHFFFAOYSA-N 3 1 279.413 2.110 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000696264737 804889653 /nfs/dbraw/zinc/88/96/53/804889653.db2.gz ACGDZVAAKZBMNJ-JTQLQIEISA-N 2 1 251.399 2.191 20 0 CEADMP CC(C)=CC[N@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001268749332 804959647 /nfs/dbraw/zinc/95/96/47/804959647.db2.gz VJMVNXHUUIIXGE-OAHLLOKOSA-N 2 1 295.471 2.121 20 0 CEADMP CCCC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001268799724 804976790 /nfs/dbraw/zinc/97/67/90/804976790.db2.gz FYEUGRIEZWVQQA-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[N@H+]1CC[C@H]1CNC(=O)C[C@@H](C)n1ccnc1 ZINC001269309752 805122347 /nfs/dbraw/zinc/12/23/47/805122347.db2.gz JACFLMFVRWZPGX-CABCVRRESA-N 2 1 292.427 2.215 20 0 CEADMP CC/C=C/CC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001269344135 805136766 /nfs/dbraw/zinc/13/67/66/805136766.db2.gz BCUMDAFFMSKYHH-WAVCKPEOSA-N 2 1 295.471 2.217 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4c(F)cccc4C3)C[C@@H]2C1 ZINC001171436247 815070151 /nfs/dbraw/zinc/07/01/51/815070151.db2.gz CJPCNVITESYMME-ZNMIVQPWSA-N 2 1 274.383 2.176 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4c(F)cccc4C3)C[C@@H]2C1 ZINC001171436247 815070156 /nfs/dbraw/zinc/07/01/56/815070156.db2.gz CJPCNVITESYMME-ZNMIVQPWSA-N 2 1 274.383 2.176 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4c(F)cccc4C3)C[C@@H]2C1 ZINC001171436247 815070160 /nfs/dbraw/zinc/07/01/60/815070160.db2.gz CJPCNVITESYMME-ZNMIVQPWSA-N 2 1 274.383 2.176 20 0 CEADMP C[N@H+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167964307 805445972 /nfs/dbraw/zinc/44/59/72/805445972.db2.gz OPNYMUGZXHQJOH-CSNJMZFVSA-N 2 1 291.483 2.323 20 0 CEADMP C[NH+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167964307 805445977 /nfs/dbraw/zinc/44/59/77/805445977.db2.gz OPNYMUGZXHQJOH-CSNJMZFVSA-N 2 1 291.483 2.323 20 0 CEADMP C[NH+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167964307 805445980 /nfs/dbraw/zinc/44/59/80/805445980.db2.gz OPNYMUGZXHQJOH-CSNJMZFVSA-N 2 1 291.483 2.323 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167964307 805445986 /nfs/dbraw/zinc/44/59/86/805445986.db2.gz OPNYMUGZXHQJOH-CSNJMZFVSA-N 3 1 291.483 2.323 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167964307 805445990 /nfs/dbraw/zinc/44/59/90/805445990.db2.gz OPNYMUGZXHQJOH-CSNJMZFVSA-N 3 1 291.483 2.323 20 0 CEADMP C[NH+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167964307 805445994 /nfs/dbraw/zinc/44/59/94/805445994.db2.gz OPNYMUGZXHQJOH-CSNJMZFVSA-N 3 1 291.483 2.323 20 0 CEADMP C[NH+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167964307 805445999 /nfs/dbraw/zinc/44/59/99/805445999.db2.gz OPNYMUGZXHQJOH-CSNJMZFVSA-N 3 1 291.483 2.323 20 0 CEADMP CCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965633 805466216 /nfs/dbraw/zinc/46/62/16/805466216.db2.gz ITVHXFCNXIRHTI-MQVJKMGUSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH2+][C@@]12CC[C@@](NC(=O)c3cccn4c[nH+]cc34)(C1)CCC2 ZINC001270603141 805483185 /nfs/dbraw/zinc/48/31/85/805483185.db2.gz PGHJCVQGWXZYOZ-DLBZAZTESA-N 2 1 298.390 2.129 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127081951 807012933 /nfs/dbraw/zinc/01/29/33/807012933.db2.gz HJGCHBCHAYQSAN-HNNXBMFYSA-N 2 1 283.460 2.145 20 0 CEADMP C[C@@H]1COCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232143571 807223184 /nfs/dbraw/zinc/22/31/84/807223184.db2.gz AXPGSTDNOCLOCP-ZDUSSCGKSA-N 2 1 280.387 2.356 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229091184 807235741 /nfs/dbraw/zinc/23/57/41/807235741.db2.gz MRCCMUMEANLDOG-ZFWWWQNUSA-N 2 1 262.397 2.291 20 0 CEADMP C[N@H+](C[C@@H]1CCC2(CCC2)CO1)[C@H](C[NH3+])C1CC1 ZINC000716296832 815111563 /nfs/dbraw/zinc/11/15/63/815111563.db2.gz WGTWHAHRGDHSEX-UONOGXRCSA-N 2 1 252.402 2.005 20 0 CEADMP C[N@@H+](C[C@@H]1CCC2(CCC2)CO1)[C@H](C[NH3+])C1CC1 ZINC000716296832 815111565 /nfs/dbraw/zinc/11/15/65/815111565.db2.gz WGTWHAHRGDHSEX-UONOGXRCSA-N 2 1 252.402 2.005 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716303929 815112481 /nfs/dbraw/zinc/11/24/81/815112481.db2.gz XXAXAAALKZPWIB-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCC4)CO3)C[C@@H]21 ZINC000716312512 815113798 /nfs/dbraw/zinc/11/37/98/815113798.db2.gz VOVBXICUXXPXKG-FXUDXRNXSA-N 2 1 278.440 2.395 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001089246244 807455746 /nfs/dbraw/zinc/45/57/46/807455746.db2.gz ZXZHZQLKTKWOBG-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001272433801 807484051 /nfs/dbraw/zinc/48/40/51/807484051.db2.gz YJZAYHFTPRXYBC-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)(C)CC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127257017 807538216 /nfs/dbraw/zinc/53/82/16/807538216.db2.gz UWCIFGJHAZSLHP-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP [NH3+][C@H]1CCC[N@@H+](CCOCCOCc2ccccc2)CC1 ZINC001205095588 807597920 /nfs/dbraw/zinc/59/79/20/807597920.db2.gz ZUVWSEIOXSUMQO-KRWDZBQOSA-N 2 1 292.423 2.033 20 0 CEADMP CC[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001031050682 807620700 /nfs/dbraw/zinc/62/07/00/807620700.db2.gz UBUJKYLFPXPEPD-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001031050682 807620703 /nfs/dbraw/zinc/62/07/03/807620703.db2.gz UBUJKYLFPXPEPD-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(C)c1 ZINC001205117778 807706179 /nfs/dbraw/zinc/70/61/79/807706179.db2.gz UYPAOCIFIHGMHF-OAHLLOKOSA-N 2 1 275.396 2.267 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716711425 815143012 /nfs/dbraw/zinc/14/30/12/815143012.db2.gz GESNYAZRJMSMIY-LLLHUVSDSA-N 2 1 274.408 2.010 20 0 CEADMP CC(C)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127345167 807754987 /nfs/dbraw/zinc/75/49/87/807754987.db2.gz XUZCTZWPPBQENM-HNNXBMFYSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cnc1OC(C)C ZINC001205155630 807841284 /nfs/dbraw/zinc/84/12/84/807841284.db2.gz ACELMRNIYUISRS-DZGCQCFKSA-N 2 1 277.412 2.204 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C[C@H](C)O1 ZINC000925438760 807943208 /nfs/dbraw/zinc/94/32/08/807943208.db2.gz DUIDVMZEAKBDAC-UYVKZUBASA-N 2 1 298.471 2.136 20 0 CEADMP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089657972 808090920 /nfs/dbraw/zinc/09/09/20/808090920.db2.gz GPQUKOBXDGBZRG-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089657972 808090927 /nfs/dbraw/zinc/09/09/27/808090927.db2.gz GPQUKOBXDGBZRG-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001089657972 808090935 /nfs/dbraw/zinc/09/09/35/808090935.db2.gz GPQUKOBXDGBZRG-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001089657972 808090939 /nfs/dbraw/zinc/09/09/39/808090939.db2.gz GPQUKOBXDGBZRG-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032027724 808252942 /nfs/dbraw/zinc/25/29/42/808252942.db2.gz YIHDOWFKBYDRBP-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)[C@H]1OC ZINC001120034483 815190875 /nfs/dbraw/zinc/19/08/75/815190875.db2.gz DCXDRGWNQMCVNV-ARFHVFGLSA-N 2 1 286.460 2.277 20 0 CEADMP c1cc2c(nc[nH+]c2N2CCCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC001120058555 815193943 /nfs/dbraw/zinc/19/39/43/815193943.db2.gz USMYAMYUEMPVKN-UHFFFAOYSA-N 2 1 294.362 2.070 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H](F)[C@@H](O)C2)CC1(C)C ZINC001171632260 815201360 /nfs/dbraw/zinc/20/13/60/815201360.db2.gz YCVUGVYOWAENQV-STQMWFEESA-N 2 1 272.408 2.043 20 0 CEADMP CC/C=C/CC[NH2+]CCCNC(=O)CC[N@H+](C)CCC ZINC001171726214 815218196 /nfs/dbraw/zinc/21/81/96/815218196.db2.gz YLYRDUSCMZGZAS-VOTSOKGWSA-N 2 1 283.460 2.171 20 0 CEADMP C[C@H]1C[C@@H](n2nccc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171727014 815218694 /nfs/dbraw/zinc/21/86/94/815218694.db2.gz NPGYZNLNTRNXRW-XJKSGUPXSA-N 2 1 270.380 2.177 20 0 CEADMP C[C@@H]1C[C@H](n2cc(C[NH3+])cn2)C[N@H+]1Cc1ccccc1 ZINC001171730763 815219090 /nfs/dbraw/zinc/21/90/90/815219090.db2.gz YZMGVNOGCYENBG-CJNGLKHVSA-N 2 1 270.380 2.177 20 0 CEADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205221731 808627666 /nfs/dbraw/zinc/62/76/66/808627666.db2.gz XIJKTIFVCFARNZ-KRWDZBQOSA-N 2 1 287.407 2.152 20 0 CEADMP CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001272881865 808840134 /nfs/dbraw/zinc/84/01/34/808840134.db2.gz LYWRTKDIBLTWQV-CVEARBPZSA-N 2 1 297.487 2.247 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)C)C1 ZINC001016334908 809011461 /nfs/dbraw/zinc/01/14/61/809011461.db2.gz XSCDCEVMENKWJN-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001016334908 809011468 /nfs/dbraw/zinc/01/14/68/809011468.db2.gz XSCDCEVMENKWJN-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001016334908 809011474 /nfs/dbraw/zinc/01/14/74/809011474.db2.gz XSCDCEVMENKWJN-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470847 809314383 /nfs/dbraw/zinc/31/43/83/809314383.db2.gz DVTFOVGRQOCVBL-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033470847 809314391 /nfs/dbraw/zinc/31/43/91/809314391.db2.gz DVTFOVGRQOCVBL-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033470847 809314394 /nfs/dbraw/zinc/31/43/94/809314394.db2.gz DVTFOVGRQOCVBL-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP [NH3+][C@@H]1C[C@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074818 815280468 /nfs/dbraw/zinc/28/04/68/815280468.db2.gz YKPDGVCPEVGZPX-UYTYNIKBSA-N 2 1 285.435 2.261 20 0 CEADMP Cc1ccnc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172101160 815280574 /nfs/dbraw/zinc/28/05/74/815280574.db2.gz WZPVQLRNZPVCHD-RBVVOMGSSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1ccnc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172101160 815280578 /nfs/dbraw/zinc/28/05/78/815280578.db2.gz WZPVQLRNZPVCHD-RBVVOMGSSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1ccnc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172101160 815280579 /nfs/dbraw/zinc/28/05/79/815280579.db2.gz WZPVQLRNZPVCHD-RBVVOMGSSA-N 2 1 259.397 2.495 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@](C)(O)CC1)C2 ZINC001172101238 815280693 /nfs/dbraw/zinc/28/06/93/815280693.db2.gz XPWZAGQYXNCBFF-ABPIDSFRSA-N 2 1 266.429 2.285 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@](C)(O)CC1)C2 ZINC001172101238 815280696 /nfs/dbraw/zinc/28/06/96/815280696.db2.gz XPWZAGQYXNCBFF-ABPIDSFRSA-N 2 1 266.429 2.285 20 0 CEADMP CCC[NH+]1CCC(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172100227 815283899 /nfs/dbraw/zinc/28/38/99/815283899.db2.gz BKIKEYFTWHRLRA-OSYLJGHBSA-N 3 1 279.472 2.466 20 0 CEADMP CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001033690596 809383205 /nfs/dbraw/zinc/38/32/05/809383205.db2.gz ZBPQVYNLCWIILK-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001033690596 809383207 /nfs/dbraw/zinc/38/32/07/809383207.db2.gz ZBPQVYNLCWIILK-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001033690596 809383214 /nfs/dbraw/zinc/38/32/14/809383214.db2.gz ZBPQVYNLCWIILK-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP COC(=O)[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1C ZINC001172124933 815285469 /nfs/dbraw/zinc/28/54/69/815285469.db2.gz NAGKFUBIVSKZRX-IBEHDNSVSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1C ZINC001172124933 815285473 /nfs/dbraw/zinc/28/54/73/815285473.db2.gz NAGKFUBIVSKZRX-IBEHDNSVSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1C ZINC001172124933 815285476 /nfs/dbraw/zinc/28/54/76/815285476.db2.gz NAGKFUBIVSKZRX-IBEHDNSVSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC001172124933 815285479 /nfs/dbraw/zinc/28/54/79/815285479.db2.gz NAGKFUBIVSKZRX-IBEHDNSVSA-N 2 1 294.439 2.275 20 0 CEADMP CCO[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172131695 815290370 /nfs/dbraw/zinc/29/03/70/815290370.db2.gz XWLYCVKMNTZSMB-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP CCO[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172131695 815290372 /nfs/dbraw/zinc/29/03/72/815290372.db2.gz XWLYCVKMNTZSMB-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP CCO[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172131695 815290375 /nfs/dbraw/zinc/29/03/75/815290375.db2.gz XWLYCVKMNTZSMB-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP CC[N@@H+](C)C1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172131957 815290903 /nfs/dbraw/zinc/29/09/03/815290903.db2.gz ZSDKTILOSCOQFX-FVQHAEBGSA-N 2 1 279.472 2.418 20 0 CEADMP CC[NH+](C)C1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172131957 815290906 /nfs/dbraw/zinc/29/09/06/815290906.db2.gz ZSDKTILOSCOQFX-FVQHAEBGSA-N 2 1 279.472 2.418 20 0 CEADMP CC[NH+](C)C1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172131957 815290908 /nfs/dbraw/zinc/29/09/08/815290908.db2.gz ZSDKTILOSCOQFX-FVQHAEBGSA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172131109 815290992 /nfs/dbraw/zinc/29/09/92/815290992.db2.gz VBTWVEWXBGUBLB-YYIAUSFCSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172131109 815290994 /nfs/dbraw/zinc/29/09/94/815290994.db2.gz VBTWVEWXBGUBLB-YYIAUSFCSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172131109 815290999 /nfs/dbraw/zinc/29/09/99/815290999.db2.gz VBTWVEWXBGUBLB-YYIAUSFCSA-N 2 1 279.472 2.416 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1COc3cnccc31)C2 ZINC001172108534 815297417 /nfs/dbraw/zinc/29/74/17/815297417.db2.gz BBDAZJHSTCHKJO-XQLPTFJDSA-N 2 1 287.407 2.163 20 0 CEADMP CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034203912 809549117 /nfs/dbraw/zinc/54/91/17/809549117.db2.gz IPBGGRBRAFWBIS-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034203912 809549123 /nfs/dbraw/zinc/54/91/23/809549123.db2.gz IPBGGRBRAFWBIS-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034203912 809549129 /nfs/dbraw/zinc/54/91/29/809549129.db2.gz IPBGGRBRAFWBIS-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](C(C)C)C1 ZINC001034238272 809561758 /nfs/dbraw/zinc/56/17/58/809561758.db2.gz BSDGMUHACNHDQL-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034238272 809561763 /nfs/dbraw/zinc/56/17/63/809561763.db2.gz BSDGMUHACNHDQL-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](C(C)C)C1 ZINC001034238272 809561769 /nfs/dbraw/zinc/56/17/69/809561769.db2.gz BSDGMUHACNHDQL-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c(C[NH3+])nc3cnccc31)C2 ZINC001172111199 815299880 /nfs/dbraw/zinc/29/98/80/815299880.db2.gz TZROECBEUSXJHJ-ITGUQSILSA-N 2 1 285.395 2.078 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001172110399 815299896 /nfs/dbraw/zinc/29/98/96/815299896.db2.gz MENHDSJEGOLPKN-RDGPPVDQSA-N 2 1 299.462 2.387 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@]13CCCOC3)C2 ZINC001172111881 815301133 /nfs/dbraw/zinc/30/11/33/815301133.db2.gz XTWXUINYYRUTCT-JKJDWNRSSA-N 2 1 264.413 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@]13CCCOC3)C2 ZINC001172111881 815301137 /nfs/dbraw/zinc/30/11/37/815301137.db2.gz XTWXUINYYRUTCT-JKJDWNRSSA-N 2 1 264.413 2.160 20 0 CEADMP CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034369968 809589719 /nfs/dbraw/zinc/58/97/19/809589719.db2.gz IIWUXFKOSBVZMV-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034369968 809589721 /nfs/dbraw/zinc/58/97/21/809589721.db2.gz IIWUXFKOSBVZMV-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034369968 809589723 /nfs/dbraw/zinc/58/97/23/809589723.db2.gz IIWUXFKOSBVZMV-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172110901 815301529 /nfs/dbraw/zinc/30/15/29/815301529.db2.gz QZXDCTLEVHMSFY-RDSHKEJNSA-N 2 1 293.455 2.039 20 0 CEADMP CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172110901 815301534 /nfs/dbraw/zinc/30/15/34/815301534.db2.gz QZXDCTLEVHMSFY-RDSHKEJNSA-N 2 1 293.455 2.039 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034397784 809600344 /nfs/dbraw/zinc/60/03/44/809600344.db2.gz LLBJNQFIQOTWHX-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001034397784 809600347 /nfs/dbraw/zinc/60/03/47/809600347.db2.gz LLBJNQFIQOTWHX-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034397784 809600353 /nfs/dbraw/zinc/60/03/53/809600353.db2.gz LLBJNQFIQOTWHX-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034439942 809608811 /nfs/dbraw/zinc/60/88/11/809608811.db2.gz YERFXEMGNYDBJQ-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034439942 809608818 /nfs/dbraw/zinc/60/88/18/809608818.db2.gz YERFXEMGNYDBJQ-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+](C1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115418 815304602 /nfs/dbraw/zinc/30/46/02/815304602.db2.gz XDQNCNVJRLYFPG-QDMKHBRRSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+](C1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115418 815304608 /nfs/dbraw/zinc/30/46/08/815304608.db2.gz XDQNCNVJRLYFPG-QDMKHBRRSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](C1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115418 815304615 /nfs/dbraw/zinc/30/46/15/815304615.db2.gz XDQNCNVJRLYFPG-QDMKHBRRSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](C1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115418 815304622 /nfs/dbraw/zinc/30/46/22/815304622.db2.gz XDQNCNVJRLYFPG-QDMKHBRRSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCN1CCC(F)CC1)C2 ZINC001172117792 815305444 /nfs/dbraw/zinc/30/54/44/815305444.db2.gz NDPRBLSKFRRUSJ-PHZGNYQRSA-N 2 1 283.435 2.025 20 0 CEADMP C[N@H+](CC1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120026 815310472 /nfs/dbraw/zinc/31/04/72/815310472.db2.gz IYNHARWHQXSGHP-ZSHCYNCHSA-N 2 1 266.429 2.360 20 0 CEADMP C[N@@H+](CC1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120026 815310477 /nfs/dbraw/zinc/31/04/77/815310477.db2.gz IYNHARWHQXSGHP-ZSHCYNCHSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](CC1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120026 815310482 /nfs/dbraw/zinc/31/04/82/815310482.db2.gz IYNHARWHQXSGHP-ZSHCYNCHSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](CC1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120026 815310489 /nfs/dbraw/zinc/31/04/89/815310489.db2.gz IYNHARWHQXSGHP-ZSHCYNCHSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172119274 815310938 /nfs/dbraw/zinc/31/09/38/815310938.db2.gz XTNXSIGWVSJLBJ-HHARLNAUSA-N 2 1 279.472 2.464 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001172119274 815310943 /nfs/dbraw/zinc/31/09/43/815310943.db2.gz XTNXSIGWVSJLBJ-HHARLNAUSA-N 2 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172119274 815310950 /nfs/dbraw/zinc/31/09/50/815310950.db2.gz XTNXSIGWVSJLBJ-HHARLNAUSA-N 3 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172119274 815310956 /nfs/dbraw/zinc/31/09/56/815310956.db2.gz XTNXSIGWVSJLBJ-HHARLNAUSA-N 3 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121529 815312989 /nfs/dbraw/zinc/31/29/89/815312989.db2.gz KLPACMRKFLZMCD-FZKCQIBNSA-N 2 1 265.445 2.028 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC ZINC001035102109 809741381 /nfs/dbraw/zinc/74/13/81/809741381.db2.gz SLNHLVIJASDEDQ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCCC13COC3)C2 ZINC001172123518 815315908 /nfs/dbraw/zinc/31/59/08/815315908.db2.gz GPLHORBVCILENP-QDMKHBRRSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCCC13COC3)C2 ZINC001172123518 815315927 /nfs/dbraw/zinc/31/59/27/815315927.db2.gz GPLHORBVCILENP-QDMKHBRRSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCCC13COC3)C2 ZINC001172123518 815315934 /nfs/dbraw/zinc/31/59/34/815315934.db2.gz GPLHORBVCILENP-QDMKHBRRSA-N 2 1 264.413 2.257 20 0 CEADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H](O)CC3CCCC3)C[C@]2(C)C1 ZINC000705682193 809786335 /nfs/dbraw/zinc/78/63/35/809786335.db2.gz VCFKLRWOZONYET-YESZJQIVSA-N 2 1 280.456 2.201 20 0 CEADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H](O)CC3CCCC3)C[C@]2(C)C1 ZINC000705682193 809786338 /nfs/dbraw/zinc/78/63/38/809786338.db2.gz VCFKLRWOZONYET-YESZJQIVSA-N 2 1 280.456 2.201 20 0 CEADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H](O)CC3CCCC3)C[C@]2(C)C1 ZINC000705682193 809786341 /nfs/dbraw/zinc/78/63/41/809786341.db2.gz VCFKLRWOZONYET-YESZJQIVSA-N 2 1 280.456 2.201 20 0 CEADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H](O)CC3CCCC3)C[C@]2(C)C1 ZINC000705682193 809786343 /nfs/dbraw/zinc/78/63/43/809786343.db2.gz VCFKLRWOZONYET-YESZJQIVSA-N 2 1 280.456 2.201 20 0 CEADMP C[C@H](O)C[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705924378 809793421 /nfs/dbraw/zinc/79/34/21/809793421.db2.gz UWNDWERYLADUED-RYQLBKOJSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705924378 809793424 /nfs/dbraw/zinc/79/34/24/809793424.db2.gz UWNDWERYLADUED-RYQLBKOJSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705924378 809793428 /nfs/dbraw/zinc/79/34/28/809793428.db2.gz UWNDWERYLADUED-RYQLBKOJSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H](O)C[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705924378 809793434 /nfs/dbraw/zinc/79/34/34/809793434.db2.gz UWNDWERYLADUED-RYQLBKOJSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H](C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)CC(C)(C)C ZINC000709164170 809945476 /nfs/dbraw/zinc/94/54/76/809945476.db2.gz KQMZRSFHTABDPF-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP CC1(C)C[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C(C)(C)O1 ZINC000709703924 809954045 /nfs/dbraw/zinc/95/40/45/809954045.db2.gz VEHFHTVOTMLZHX-MCIONIFRSA-N 2 1 266.429 2.264 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C(C)(C)O1 ZINC000709703924 809954049 /nfs/dbraw/zinc/95/40/49/809954049.db2.gz VEHFHTVOTMLZHX-MCIONIFRSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CC[N@H+](Cc3ccccc3)C1)[NH2+]2 ZINC000709354755 809960403 /nfs/dbraw/zinc/96/04/03/809960403.db2.gz PGIABEVJSUOMLA-RSRPTUBKSA-N 2 1 299.462 2.380 20 0 CEADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CC[N@@H+](Cc3ccccc3)C1)[NH2+]2 ZINC000709354755 809960408 /nfs/dbraw/zinc/96/04/08/809960408.db2.gz PGIABEVJSUOMLA-RSRPTUBKSA-N 2 1 299.462 2.380 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CSc4ccccc4C3)C[C@@H]2C1 ZINC001172204776 815332267 /nfs/dbraw/zinc/33/22/67/815332267.db2.gz FDEGAQZKSYSJNG-QLFBSQMISA-N 2 1 274.433 2.197 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CCC(=O)Nc1ccccc1 ZINC000710841399 809995419 /nfs/dbraw/zinc/99/54/19/809995419.db2.gz INFRXUULBPFMIZ-UHFFFAOYSA-N 2 1 277.412 2.466 20 0 CEADMP c1csc([C@@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000710578605 810000839 /nfs/dbraw/zinc/00/08/39/810000839.db2.gz WFZVHPQUPKXYDZ-LLVKDONJSA-N 2 1 251.399 2.075 20 0 CEADMP c1csc([C@@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000710578605 810000846 /nfs/dbraw/zinc/00/08/46/810000846.db2.gz WFZVHPQUPKXYDZ-LLVKDONJSA-N 2 1 251.399 2.075 20 0 CEADMP C1CC([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]2CCOC2)C1 ZINC000711838210 810097897 /nfs/dbraw/zinc/09/78/97/810097897.db2.gz ZPHLRHDCICYFPG-NCOADZHNSA-N 2 1 278.440 2.408 20 0 CEADMP CCCCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCC1 ZINC001273201269 810271274 /nfs/dbraw/zinc/27/12/74/810271274.db2.gz KROUNFRCRZDHFS-UHFFFAOYSA-N 2 1 292.427 2.010 20 0 CEADMP COCCC[NH+]1CCC([N@H+](C)CCc2cccnc2)CC1 ZINC001172255755 815359877 /nfs/dbraw/zinc/35/98/77/815359877.db2.gz MVHQZKMNJMMMCI-UHFFFAOYSA-N 2 1 291.439 2.057 20 0 CEADMP COCCC[NH+]1CCC([N@@H+](C)CCc2cccnc2)CC1 ZINC001172255755 815359883 /nfs/dbraw/zinc/35/98/83/815359883.db2.gz MVHQZKMNJMMMCI-UHFFFAOYSA-N 2 1 291.439 2.057 20 0 CEADMP COCCCN1CCC([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001172253141 815360450 /nfs/dbraw/zinc/36/04/50/815360450.db2.gz DIHCJNLAOXJMCJ-GASCZTMLSA-N 2 1 268.445 2.465 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001172253141 815360455 /nfs/dbraw/zinc/36/04/55/815360455.db2.gz DIHCJNLAOXJMCJ-GASCZTMLSA-N 2 1 268.445 2.465 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001172253141 815360462 /nfs/dbraw/zinc/36/04/62/815360462.db2.gz DIHCJNLAOXJMCJ-GASCZTMLSA-N 2 1 268.445 2.465 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206163877 815361032 /nfs/dbraw/zinc/36/10/32/815361032.db2.gz GZLJHPCFHSIWLS-KGLIPLIRSA-N 2 1 265.376 2.014 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206163877 815361038 /nfs/dbraw/zinc/36/10/38/815361038.db2.gz GZLJHPCFHSIWLS-KGLIPLIRSA-N 2 1 265.376 2.014 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001015791497 810354149 /nfs/dbraw/zinc/35/41/49/810354149.db2.gz GHCVOTYIZPXLRX-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015791497 810354160 /nfs/dbraw/zinc/35/41/60/810354160.db2.gz GHCVOTYIZPXLRX-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015791497 810354166 /nfs/dbraw/zinc/35/41/66/810354166.db2.gz GHCVOTYIZPXLRX-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP COC1CC[NH+](C2CC[NH+]([C@@H]3COC(C)(C)C3)CC2)CC1 ZINC001172291734 815383187 /nfs/dbraw/zinc/38/31/87/815383187.db2.gz CJKDYAOVXUBVNW-HNNXBMFYSA-N 2 1 296.455 2.129 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C(C)C)C1 ZINC001019632734 810724877 /nfs/dbraw/zinc/72/48/77/810724877.db2.gz WSZIWOPEMVZLBA-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001172334748 815393244 /nfs/dbraw/zinc/39/32/44/815393244.db2.gz IKUDMVIOLKDHNJ-CABCVRRESA-N 2 1 286.460 2.281 20 0 CEADMP C[N@H+]1CCCC[C@H]1C(=O)NCCCCCC1CC[NH2+]CC1 ZINC001122236691 815394955 /nfs/dbraw/zinc/39/49/55/815394955.db2.gz KGEQZJVUDMYJAD-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001020239962 810781797 /nfs/dbraw/zinc/78/17/97/810781797.db2.gz OZKBYYCIDMCNOV-IIAWOOMASA-N 2 1 293.455 2.040 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCS[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000721420214 810805273 /nfs/dbraw/zinc/80/52/73/810805273.db2.gz JGAMQMJHIHPLOI-MXWKQRLJSA-N 2 1 282.375 2.354 20 0 CEADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085606458 810849467 /nfs/dbraw/zinc/84/94/67/810849467.db2.gz NUFYAMSTNXNEEZ-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001085606458 810849475 /nfs/dbraw/zinc/84/94/75/810849475.db2.gz NUFYAMSTNXNEEZ-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038520163 810855503 /nfs/dbraw/zinc/85/55/03/810855503.db2.gz NUACTFSLZVFQOA-MRXNPFEDSA-N 2 1 298.390 2.105 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038520163 810855510 /nfs/dbraw/zinc/85/55/10/810855510.db2.gz NUACTFSLZVFQOA-MRXNPFEDSA-N 2 1 298.390 2.105 20 0 CEADMP C[C@@H]1CC[C@@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)C[C@H]1C ZINC001172363215 815403441 /nfs/dbraw/zinc/40/34/41/815403441.db2.gz DSMNUXMIAWFMRB-BZUAXINKSA-N 3 1 269.477 2.414 20 0 CEADMP C[C@@H]1CC[C@@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)C[C@H]1C ZINC001172363215 815403444 /nfs/dbraw/zinc/40/34/44/815403444.db2.gz DSMNUXMIAWFMRB-BZUAXINKSA-N 3 1 269.477 2.414 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCN2CCC[N@@H+](C)CC2)C[C@H]1C ZINC001172362895 815403477 /nfs/dbraw/zinc/40/34/77/815403477.db2.gz ALQJHFVAPDXASG-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP Cc1c[nH+]c(N[C@H]2CCC[C@@H]([NH3+])C2)nc1NC(C)C ZINC001154977551 810874078 /nfs/dbraw/zinc/87/40/78/810874078.db2.gz OIHDAQOICZYPHN-NEPJUHHUSA-N 2 1 263.389 2.287 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2C(C)C)C1 ZINC001085779288 810909499 /nfs/dbraw/zinc/90/94/99/810909499.db2.gz RMRIYRYDMFGFLX-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2C(C)C)C1 ZINC001085779288 810909504 /nfs/dbraw/zinc/90/95/04/810909504.db2.gz RMRIYRYDMFGFLX-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2C(C)C)C1 ZINC001085779288 810909514 /nfs/dbraw/zinc/90/95/14/810909514.db2.gz RMRIYRYDMFGFLX-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038783909 810913590 /nfs/dbraw/zinc/91/35/90/810913590.db2.gz ZRLSAIFQLBKXSZ-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001038783909 810913595 /nfs/dbraw/zinc/91/35/95/810913595.db2.gz ZRLSAIFQLBKXSZ-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001038783909 810913598 /nfs/dbraw/zinc/91/35/98/810913598.db2.gz ZRLSAIFQLBKXSZ-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC[N@@H+]1C ZINC000723611901 811026232 /nfs/dbraw/zinc/02/62/32/811026232.db2.gz ZEAWRHDTPRVBTI-IBEHDNSVSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC[N@H+]1C ZINC000723611901 811026237 /nfs/dbraw/zinc/02/62/37/811026237.db2.gz ZEAWRHDTPRVBTI-IBEHDNSVSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086497411 811169466 /nfs/dbraw/zinc/16/94/66/811169466.db2.gz KXPYCPFMZZMZKQ-JYJNAYRXSA-N 2 1 295.471 2.142 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168804070 811250842 /nfs/dbraw/zinc/25/08/42/811250842.db2.gz DBUVQDMZWRVXHS-UONOGXRCSA-N 2 1 299.459 2.445 20 0 CEADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc(CC[NH3+])cn2)nc1 ZINC001168947143 811301270 /nfs/dbraw/zinc/30/12/70/811301270.db2.gz SNENFIKWSQXLDY-CQSZACIVSA-N 2 1 299.422 2.143 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1COc3ccccc3O1)C2 ZINC001169095712 811365286 /nfs/dbraw/zinc/36/52/86/811365286.db2.gz RWXCJDJGSMHFOK-LXTVHRRPSA-N 2 1 288.391 2.041 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1COc3ccccc3O1)C2 ZINC001169095712 811365296 /nfs/dbraw/zinc/36/52/96/811365296.db2.gz RWXCJDJGSMHFOK-LXTVHRRPSA-N 2 1 288.391 2.041 20 0 CEADMP COc1ccc(OCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169095664 811365998 /nfs/dbraw/zinc/36/59/98/811365998.db2.gz QOPQQRGFYZDLEV-QKDCVEJESA-N 2 1 290.407 2.289 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC[C@@H](O)c1ccccc1)C2 ZINC001169099473 811369564 /nfs/dbraw/zinc/36/95/64/811369564.db2.gz SQZWETSWNPCICG-YYIAUSFCSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001169100256 811374263 /nfs/dbraw/zinc/37/42/63/811374263.db2.gz HNFLFXOBYZUYSO-VPIHVBPDSA-N 2 1 277.456 2.217 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001169100256 811374271 /nfs/dbraw/zinc/37/42/71/811374271.db2.gz HNFLFXOBYZUYSO-VPIHVBPDSA-N 2 1 277.456 2.217 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001169100256 811374282 /nfs/dbraw/zinc/37/42/82/811374282.db2.gz HNFLFXOBYZUYSO-VPIHVBPDSA-N 2 1 277.456 2.217 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1COc3ccccc3C1)C2 ZINC001169079174 811376815 /nfs/dbraw/zinc/37/68/15/811376815.db2.gz JEJPEPONRNPKNV-LVQVYYBASA-N 2 1 272.392 2.205 20 0 CEADMP CCCC[N@@H+](C)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169091582 811384207 /nfs/dbraw/zinc/38/42/07/811384207.db2.gz STFNILXCUMRMNQ-PHZGNYQRSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091582 811384218 /nfs/dbraw/zinc/38/42/18/811384218.db2.gz STFNILXCUMRMNQ-PHZGNYQRSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091582 811384228 /nfs/dbraw/zinc/38/42/28/811384228.db2.gz STFNILXCUMRMNQ-PHZGNYQRSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[N@H+](C)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169091582 811384238 /nfs/dbraw/zinc/38/42/38/811384238.db2.gz STFNILXCUMRMNQ-PHZGNYQRSA-N 3 1 267.461 2.323 20 0 CEADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169091582 811384249 /nfs/dbraw/zinc/38/42/49/811384249.db2.gz STFNILXCUMRMNQ-PHZGNYQRSA-N 3 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091582 811384258 /nfs/dbraw/zinc/38/42/58/811384258.db2.gz STFNILXCUMRMNQ-PHZGNYQRSA-N 3 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091582 811384264 /nfs/dbraw/zinc/38/42/64/811384264.db2.gz STFNILXCUMRMNQ-PHZGNYQRSA-N 3 1 267.461 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3ccc(O)cc3C1)C2 ZINC001169108327 811402891 /nfs/dbraw/zinc/40/28/91/811402891.db2.gz RDMMEKVGPCPNAA-LUKYLMHMSA-N 2 1 286.419 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+](C(C)(C)C)CC1)C2 ZINC001169141640 811408381 /nfs/dbraw/zinc/40/83/81/811408381.db2.gz RLFCHKTUYMJBPA-QDMKHBRRSA-N 2 1 265.445 2.028 20 0 CEADMP CC1(C)C[C@@H](Nc2cc[nH+]c(CN)c2)C[C@](C)(C[NH3+])C1 ZINC001169151114 811414245 /nfs/dbraw/zinc/41/42/45/811414245.db2.gz FVXWOQCPWCZKTN-ZBFHGGJFSA-N 2 1 276.428 2.496 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@]3(C1)CC(F)(F)CO3)C2 ZINC001169155600 811417929 /nfs/dbraw/zinc/41/79/29/811417929.db2.gz RZRJVXQZWUQPAI-XJFOESAGSA-N 2 1 286.366 2.112 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@]3(C1)CC(F)(F)CO3)C2 ZINC001169155600 811417931 /nfs/dbraw/zinc/41/79/31/811417931.db2.gz RZRJVXQZWUQPAI-XJFOESAGSA-N 2 1 286.366 2.112 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@]3(C1)CC(F)(F)CO3)C2 ZINC001169155600 811417937 /nfs/dbraw/zinc/41/79/37/811417937.db2.gz RZRJVXQZWUQPAI-XJFOESAGSA-N 2 1 286.366 2.112 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+](C)CC13CCCC3)C2 ZINC001169161101 811420264 /nfs/dbraw/zinc/42/02/64/811420264.db2.gz NYCKVQHJNZDNPB-ZSHCYNCHSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[N@H+](C)CC13CCCC3)C2 ZINC001169161101 811420268 /nfs/dbraw/zinc/42/02/68/811420268.db2.gz NYCKVQHJNZDNPB-ZSHCYNCHSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[N@@H+](C)CC13CCCC3)C2 ZINC001169161101 811420274 /nfs/dbraw/zinc/42/02/74/811420274.db2.gz NYCKVQHJNZDNPB-ZSHCYNCHSA-N 2 1 277.456 2.172 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3ccnn32)CCC[C@@H]1C[NH3+] ZINC001206003368 811420683 /nfs/dbraw/zinc/42/06/83/811420683.db2.gz HDBHMVMGSFXLRK-UONOGXRCSA-N 2 1 272.396 2.141 20 0 CEADMP CC[N@H+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C(C)(C)C1 ZINC001169160898 811421156 /nfs/dbraw/zinc/42/11/56/811421156.db2.gz MIMHLIQAELGQDV-QDMKHBRRSA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C(C)(C)C1 ZINC001169160898 811421162 /nfs/dbraw/zinc/42/11/62/811421162.db2.gz MIMHLIQAELGQDV-QDMKHBRRSA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C(C)(C)C1 ZINC001169160898 811421165 /nfs/dbraw/zinc/42/11/65/811421165.db2.gz MIMHLIQAELGQDV-QDMKHBRRSA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+]1CCC([NH2+]CCOc2cc(Cl)ccn2)CC1 ZINC001169240785 811459231 /nfs/dbraw/zinc/45/92/31/811459231.db2.gz DHXKTLJHWBEVAP-UHFFFAOYSA-N 2 1 283.803 2.188 20 0 CEADMP CCC[N@H+]1CCCC[C@H]1c1ccc(=NOCC[NH3+])[nH]c1 ZINC001156293350 811480704 /nfs/dbraw/zinc/48/07/04/811480704.db2.gz IMKPKVDVDBMQCA-AWEZNQCLSA-N 2 1 278.400 2.321 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001169484449 811529556 /nfs/dbraw/zinc/52/95/56/811529556.db2.gz MICDKMVENZCUEK-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(CF)n2)CCC[C@H]1C[NH3+] ZINC001206012588 811555195 /nfs/dbraw/zinc/55/51/95/811555195.db2.gz MRRUTPMINWGSIT-STQMWFEESA-N 2 1 265.376 2.358 20 0 CEADMP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)nc1 ZINC001206012816 811573243 /nfs/dbraw/zinc/57/32/43/811573243.db2.gz OBPAINWBSHZMCA-ZFWWWQNUSA-N 2 1 261.413 2.451 20 0 CEADMP CC(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001045529378 811622683 /nfs/dbraw/zinc/62/26/83/811622683.db2.gz RHYDBRGQOGWCFG-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc2c[nH+]c(NC(C)(C)CC[NH+](C)C)nc2[nH]1 ZINC001169712116 811638292 /nfs/dbraw/zinc/63/82/92/811638292.db2.gz YTFBDCWFATZJID-UHFFFAOYSA-N 2 1 261.373 2.360 20 0 CEADMP c1ncc(CCNc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)s1 ZINC001169866802 811697949 /nfs/dbraw/zinc/69/79/49/811697949.db2.gz NGAAWIPKPJERGT-UHFFFAOYSA-N 2 1 299.403 2.132 20 0 CEADMP Cc1cc(O)cc(C)c1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206174791 815493300 /nfs/dbraw/zinc/49/33/00/815493300.db2.gz PNHULRVRAVQOPS-CABCVRRESA-N 2 1 266.360 2.270 20 0 CEADMP Cc1cc(O)cc(C)c1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206174791 815493302 /nfs/dbraw/zinc/49/33/02/815493302.db2.gz PNHULRVRAVQOPS-CABCVRRESA-N 2 1 266.360 2.270 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](C)CC ZINC001110016236 811984937 /nfs/dbraw/zinc/98/49/37/811984937.db2.gz FMLQRUFKPYMNRI-WCVJEAGWSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)CC ZINC001110016236 811984939 /nfs/dbraw/zinc/98/49/39/811984939.db2.gz FMLQRUFKPYMNRI-WCVJEAGWSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC ZINC001110016236 811984942 /nfs/dbraw/zinc/98/49/42/811984942.db2.gz FMLQRUFKPYMNRI-WCVJEAGWSA-N 2 1 295.471 2.096 20 0 CEADMP [NH3+]CCc1c[nH+]cn1[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172706853 815502959 /nfs/dbraw/zinc/50/29/59/815502959.db2.gz LIWFCHWBGDNFSS-AWEZNQCLSA-N 2 1 261.756 2.378 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)nc1C ZINC001206037973 812217533 /nfs/dbraw/zinc/21/75/33/812217533.db2.gz ZNBBDAMZUSBFEN-TZMCWYRMSA-N 2 1 277.412 2.205 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001113353137 812226655 /nfs/dbraw/zinc/22/66/55/812226655.db2.gz OQQBJQZPVMKNIU-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001172772603 815515929 /nfs/dbraw/zinc/51/59/29/815515929.db2.gz NFYSJVLLIYNWAN-QLFBSQMISA-N 2 1 282.428 2.040 20 0 CEADMP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113686637 812298649 /nfs/dbraw/zinc/29/86/49/812298649.db2.gz OTSOGCPZKAWGFF-MRXNPFEDSA-N 2 1 297.487 2.153 20 0 CEADMP CCC[N@@H+]1C[C@H]2CN(c3[nH+]ccc4[nH]ccc43)C[C@H]2C1 ZINC001157691775 812320338 /nfs/dbraw/zinc/32/03/38/812320338.db2.gz YHPHXLBECOYAAM-BETUJISGSA-N 2 1 270.380 2.341 20 0 CEADMP CC(C)C[NH+]1CCC(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254507325 812426226 /nfs/dbraw/zinc/42/62/26/812426226.db2.gz ARWCYLOHKONDCU-QGZVFWFLSA-N 3 1 281.488 2.428 20 0 CEADMP CC(C)C[NH+]1CCC(C[NH2+][C@@H]2CCCN(C)CC2)CC1 ZINC001254507325 812426232 /nfs/dbraw/zinc/42/62/32/812426232.db2.gz ARWCYLOHKONDCU-QGZVFWFLSA-N 2 1 281.488 2.428 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH+]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001254522668 812437407 /nfs/dbraw/zinc/43/74/07/812437407.db2.gz IGHSXZQFJSPWJP-ZIAGYGMSSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001254522668 812437412 /nfs/dbraw/zinc/43/74/12/812437412.db2.gz IGHSXZQFJSPWJP-ZIAGYGMSSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CCC[C@@H]([N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001254522668 812437416 /nfs/dbraw/zinc/43/74/16/812437416.db2.gz IGHSXZQFJSPWJP-ZIAGYGMSSA-N 2 1 282.428 2.134 20 0 CEADMP CCCC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001052869770 812468833 /nfs/dbraw/zinc/46/88/33/812468833.db2.gz LWSDSZCOJWOZJS-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001052869770 812468836 /nfs/dbraw/zinc/46/88/36/812468836.db2.gz LWSDSZCOJWOZJS-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052869770 812468840 /nfs/dbraw/zinc/46/88/40/812468840.db2.gz LWSDSZCOJWOZJS-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[N@H+](CCCCOCc2ccccc2)C[C@H]1[NH3+] ZINC001206053178 812470561 /nfs/dbraw/zinc/47/05/61/812470561.db2.gz MVPHXTZBSMCLQX-GDBMZVCRSA-N 2 1 262.397 2.262 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCOCc2ccccc2)C[C@H]1[NH3+] ZINC001206053178 812470565 /nfs/dbraw/zinc/47/05/65/812470565.db2.gz MVPHXTZBSMCLQX-GDBMZVCRSA-N 2 1 262.397 2.262 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC1=CCCCC1 ZINC001129855507 812513865 /nfs/dbraw/zinc/51/38/65/812513865.db2.gz GIRDZPYCXZGQPP-MRXNPFEDSA-N 2 1 293.455 2.067 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC001172806184 815533655 /nfs/dbraw/zinc/53/36/55/815533655.db2.gz GHZLPITUFJIVCJ-VYDXJSESSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC001172806184 815533656 /nfs/dbraw/zinc/53/36/56/815533656.db2.gz GHZLPITUFJIVCJ-VYDXJSESSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001172806184 815533659 /nfs/dbraw/zinc/53/36/59/815533659.db2.gz GHZLPITUFJIVCJ-VYDXJSESSA-N 2 1 294.439 2.136 20 0 CEADMP CC(C)(C)CC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130190431 812543085 /nfs/dbraw/zinc/54/30/85/812543085.db2.gz ZGEYTEAVIWOAAC-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)(C)CC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130190435 812543129 /nfs/dbraw/zinc/54/31/29/812543129.db2.gz ZGEYTEAVIWOAAC-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](C(C)C)C2)C1)[NH+](C)C ZINC001054198608 812550014 /nfs/dbraw/zinc/55/00/14/812550014.db2.gz BCIYOVXXEXBVGZ-DOTOQJQBSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CC1CCC1 ZINC001130622300 812591476 /nfs/dbraw/zinc/59/14/76/812591476.db2.gz CBIBYZBMYCOCSR-UHFFFAOYSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H](Nc1cc(C(C)(C)C)cc[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001170575130 812697281 /nfs/dbraw/zinc/69/72/81/812697281.db2.gz OHZSQUHHIMSRRB-AAEUAGOBSA-N 2 1 263.385 2.168 20 0 CEADMP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158450693 812724674 /nfs/dbraw/zinc/72/46/74/812724674.db2.gz UWTDTRCEOXQBKT-MRXNPFEDSA-N 2 1 297.487 2.297 20 0 CEADMP CC(C)C[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131822302 812730987 /nfs/dbraw/zinc/73/09/87/812730987.db2.gz MKVOPCOLLNMVKC-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP C[N@@H+](CCC(=O)NCC[NH2+]CCC1CC1)C1CCCCC1 ZINC001131815437 812735857 /nfs/dbraw/zinc/73/58/57/812735857.db2.gz CUAIBGCQFIHKCT-UHFFFAOYSA-N 2 1 295.471 2.147 20 0 CEADMP CC[N@@H+](C1CCN(C)CC1)[C@H]1CCC[C@H](OC)C1 ZINC001172941935 815553033 /nfs/dbraw/zinc/55/30/33/815553033.db2.gz MBIGVORRIYLUQL-GJZGRUSLSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132105767 812787840 /nfs/dbraw/zinc/78/78/40/812787840.db2.gz MUKNLPSDAONPQK-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001050336320 812809517 /nfs/dbraw/zinc/80/95/17/812809517.db2.gz LNKUKCJWIAAULO-BZUAXINKSA-N 2 1 295.471 2.144 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCC2)C1 ZINC001132441065 812855148 /nfs/dbraw/zinc/85/51/48/812855148.db2.gz KAWMRIMPSQFWRH-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132441065 812855154 /nfs/dbraw/zinc/85/51/54/812855154.db2.gz KAWMRIMPSQFWRH-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCC2)C1 ZINC001132441065 812855160 /nfs/dbraw/zinc/85/51/60/812855160.db2.gz KAWMRIMPSQFWRH-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC001206581471 813022038 /nfs/dbraw/zinc/02/20/38/813022038.db2.gz JENPHMZJYNXQOJ-JKSUJKDBSA-N 3 1 267.461 2.229 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2ncccc12 ZINC001137405698 813035607 /nfs/dbraw/zinc/03/56/07/813035607.db2.gz MOWWSVQLLQPCSN-UHFFFAOYSA-N 2 1 260.385 2.337 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C(C)(C)C[NH3+])CN1C(=O)OC(C)(C)C ZINC001173054787 815572041 /nfs/dbraw/zinc/57/20/41/815572041.db2.gz OZRFUYVIDUJBCM-NEPJUHHUSA-N 2 1 285.432 2.101 20 0 CEADMP CCCOC1CCC([N@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001173101072 815579899 /nfs/dbraw/zinc/57/98/99/815579899.db2.gz HOTWBGPLUVNZEI-UHFFFAOYSA-N 2 1 277.412 2.479 20 0 CEADMP CCCOC1CCC([N@@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001173101072 815579902 /nfs/dbraw/zinc/57/99/02/815579902.db2.gz HOTWBGPLUVNZEI-UHFFFAOYSA-N 2 1 277.412 2.479 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133906046 813175281 /nfs/dbraw/zinc/17/52/81/813175281.db2.gz NYXIUFFRKRQYOB-HNNXBMFYSA-N 2 1 299.503 2.352 20 0 CEADMP C[C@H]([NH2+]CCSC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000386588233 813183010 /nfs/dbraw/zinc/18/30/10/813183010.db2.gz QQKIJFROHQKMGW-IUCAKERBSA-N 2 1 256.337 2.360 20 0 CEADMP CC(C)[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135586146 813470270 /nfs/dbraw/zinc/47/02/70/813470270.db2.gz XEXQNKPTOFBARB-ZIAGYGMSSA-N 2 1 294.443 2.288 20 0 CEADMP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170833202 813487172 /nfs/dbraw/zinc/48/71/72/813487172.db2.gz GEGSWWVVAXJEIU-OAHLLOKOSA-N 2 1 252.402 2.114 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000395704999 813535073 /nfs/dbraw/zinc/53/50/73/813535073.db2.gz CRUUIOHGIARJST-HNNXBMFYSA-N 2 1 298.377 2.461 20 0 CEADMP C[C@@H]1CN(c2cc[nH+]cc2CO)CC[N@H+]1Cc1ccccc1 ZINC000396370302 813565116 /nfs/dbraw/zinc/56/51/16/813565116.db2.gz QMCFFZDGUZUFRG-OAHLLOKOSA-N 2 1 297.402 2.285 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC1 ZINC001135979105 813577855 /nfs/dbraw/zinc/57/78/55/813577855.db2.gz CIGBUDIEUXAOHC-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP CC[N@@H+](Cc1ccc(C)c(C)c1)C[C@]1(O)CCC[NH2+]C1 ZINC001246060783 813668145 /nfs/dbraw/zinc/66/81/45/813668145.db2.gz DMRNXJGLDLJTCU-KRWDZBQOSA-N 2 1 276.424 2.240 20 0 CEADMP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246103651 813694627 /nfs/dbraw/zinc/69/46/27/813694627.db2.gz XQGXFGSZZRENAF-UMVBOHGHSA-N 2 1 262.397 2.214 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)CC[C@@H]1[NH3+] ZINC000399255509 813706009 /nfs/dbraw/zinc/70/60/09/813706009.db2.gz LUJKLKNFHMKLCG-UTLUCORTSA-N 2 1 251.201 2.239 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C[C@H](CC)[NH2+]1 ZINC001246272443 813756991 /nfs/dbraw/zinc/75/69/91/813756991.db2.gz LHIGHLREGDIRBV-BARDWOONSA-N 3 1 253.434 2.027 20 0 CEADMP OCCCCCCCCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246294469 813763310 /nfs/dbraw/zinc/76/33/10/813763310.db2.gz WWRYKBOJSOFJAI-OAHLLOKOSA-N 2 1 256.434 2.441 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC)CC[N@H+]1C ZINC001074018216 813798017 /nfs/dbraw/zinc/79/80/17/813798017.db2.gz QJMSUEREHHGLRD-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC)CC[NH+]1C ZINC001074018216 813798028 /nfs/dbraw/zinc/79/80/28/813798028.db2.gz QJMSUEREHHGLRD-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC)CC[NH+]1C ZINC001074018216 813798033 /nfs/dbraw/zinc/79/80/33/813798033.db2.gz QJMSUEREHHGLRD-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCNC1 ZINC001246398600 813811103 /nfs/dbraw/zinc/81/11/03/813811103.db2.gz WYSIGXVVDIRZCW-RBSFLKMASA-N 2 1 267.461 2.356 20 0 CEADMP CC(C)(C)CN([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC001246398600 813811109 /nfs/dbraw/zinc/81/11/09/813811109.db2.gz WYSIGXVVDIRZCW-RBSFLKMASA-N 2 1 267.461 2.356 20 0 CEADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@H]2C1 ZINC001137030787 813842027 /nfs/dbraw/zinc/84/20/27/813842027.db2.gz MPMPVXDOUBXKLU-IAGOWNOFSA-N 2 1 272.392 2.100 20 0 CEADMP N[C@H]1C[C@H](O)C[N@@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246537469 813932085 /nfs/dbraw/zinc/93/20/85/813932085.db2.gz CHIMUBUBOXGUHH-ZFWWWQNUSA-N 2 1 266.429 2.273 20 0 CEADMP N[C@H]1C[C@H](O)C[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246537469 813932088 /nfs/dbraw/zinc/93/20/88/813932088.db2.gz CHIMUBUBOXGUHH-ZFWWWQNUSA-N 2 1 266.429 2.273 20 0 CEADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246547451 813990149 /nfs/dbraw/zinc/99/01/49/813990149.db2.gz IGRDPHLPZMCWDV-GOEBONIOSA-N 3 1 283.435 2.062 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001246554540 814028369 /nfs/dbraw/zinc/02/83/69/814028369.db2.gz WGUNYQPREPRWDZ-YCPHGPKFSA-N 2 1 282.428 2.312 20 0 CEADMP N[C@@H]1CCCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246557216 814033015 /nfs/dbraw/zinc/03/30/15/814033015.db2.gz GLEOBVOJXWHJNV-QQFBHYJXSA-N 2 1 265.445 2.112 20 0 CEADMP [NH3+][C@@H]1CCCCN(C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246557216 814033022 /nfs/dbraw/zinc/03/30/22/814033022.db2.gz GLEOBVOJXWHJNV-QQFBHYJXSA-N 2 1 265.445 2.112 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001246575595 814119394 /nfs/dbraw/zinc/11/93/94/814119394.db2.gz JXXXECMMYKYJHB-KRWDZBQOSA-N 3 1 279.472 2.312 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](C2CCN(CC3CC3)CC2)CC1 ZINC001246575595 814119398 /nfs/dbraw/zinc/11/93/98/814119398.db2.gz JXXXECMMYKYJHB-KRWDZBQOSA-N 2 1 279.472 2.312 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@H+](C2CCN(CC3CC3)CC2)CC1 ZINC001246575595 814119402 /nfs/dbraw/zinc/11/94/02/814119402.db2.gz JXXXECMMYKYJHB-KRWDZBQOSA-N 2 1 279.472 2.312 20 0 CEADMP CCCN(CCC[NH+](C)C)Cc1[nH+]cn2ccccc12 ZINC001144627699 814134685 /nfs/dbraw/zinc/13/46/85/814134685.db2.gz SJWOHCJSEYNZSF-UHFFFAOYSA-N 2 1 274.412 2.498 20 0 CEADMP CCOC(=O)N1CCC([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC1 ZINC001246579629 814140751 /nfs/dbraw/zinc/14/07/51/814140751.db2.gz GBPWZRZKPBAOOE-INIZCTEOSA-N 2 1 297.443 2.058 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CC[NH2+]1 ZINC001246651778 814245701 /nfs/dbraw/zinc/24/57/01/814245701.db2.gz ZSAHZCXOJNVKFG-CABCVRRESA-N 3 1 279.472 2.229 20 0 CEADMP Cc1cc(NCc2ccccc2N2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001171282317 814304982 /nfs/dbraw/zinc/30/49/82/814304982.db2.gz ITSPHAPGCOJFLI-UHFFFAOYSA-N 2 1 297.406 2.115 20 0 CEADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@](O)(CF)CC2)CC1 ZINC001256569703 814471368 /nfs/dbraw/zinc/47/13/68/814471368.db2.gz NSZHUNXIRJOAGS-MRXNPFEDSA-N 2 1 286.435 2.436 20 0 CEADMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C)[NH+](C)C ZINC001103140212 814474049 /nfs/dbraw/zinc/47/40/49/814474049.db2.gz SCORALKILPVFTQ-BZUAXINKSA-N 2 1 297.487 2.057 20 0 CEADMP CCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001147774621 814493768 /nfs/dbraw/zinc/49/37/68/814493768.db2.gz ZZXMRZFNNQTXEO-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171330810 814557559 /nfs/dbraw/zinc/55/75/59/814557559.db2.gz VFPYKIRRQMYKOS-LSDHHAIUSA-N 2 1 283.460 2.145 20 0 CEADMP C([C@@H]1CCCOC1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692861881 814613234 /nfs/dbraw/zinc/61/32/34/814613234.db2.gz OFKXMGIFLRYCKO-GOEBONIOSA-N 2 1 266.429 2.125 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]C(C)C)C1 ZINC001086883119 814640293 /nfs/dbraw/zinc/64/02/93/814640293.db2.gz OFZQYIKWDXWRPH-XHSDSOJGSA-N 2 1 295.471 2.144 20 0 CEADMP CC[NH+](CC)C1CCC([NH2+]C(C)(C)C(=O)OC)CC1 ZINC001173104944 815581362 /nfs/dbraw/zinc/58/13/62/815581362.db2.gz MVZZPDVSDMQSDK-UHFFFAOYSA-N 2 1 270.417 2.181 20 0 CEADMP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115451002 814709091 /nfs/dbraw/zinc/70/90/91/814709091.db2.gz WVUQIXIBRXEBRV-HNNXBMFYSA-N 2 1 295.471 2.289 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H](F)C[C@H]2CO)CC1 ZINC001173110104 815582783 /nfs/dbraw/zinc/58/27/83/815582783.db2.gz OUKJBEVJNFFCOF-URGYJCLVSA-N 2 1 272.408 2.044 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCO[C@H]3C[C@H]32)CC1 ZINC001173114051 815583826 /nfs/dbraw/zinc/58/38/26/815583826.db2.gz UOCUNWXGHXEPTL-CVSAEHQPSA-N 2 1 252.402 2.113 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712485188 814750176 /nfs/dbraw/zinc/75/01/76/814750176.db2.gz LDRUORWTMHKGQG-KGLIPLIRSA-N 2 1 252.402 2.291 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712485188 814750180 /nfs/dbraw/zinc/75/01/80/814750180.db2.gz LDRUORWTMHKGQG-KGLIPLIRSA-N 2 1 252.402 2.291 20 0 CEADMP CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730272 814751779 /nfs/dbraw/zinc/75/17/79/814751779.db2.gz HMCUXGAQVQUONQ-CABCVRRESA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2c[nH]nc2C)C1 ZINC001116498412 814858113 /nfs/dbraw/zinc/85/81/13/814858113.db2.gz MBWLAJDFTYSGMZ-YPMHNXCESA-N 2 1 250.390 2.101 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2c[nH]nc2C)C1 ZINC001116498412 814858119 /nfs/dbraw/zinc/85/81/19/814858119.db2.gz MBWLAJDFTYSGMZ-YPMHNXCESA-N 2 1 250.390 2.101 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1C(F)(F)F ZINC000714805664 814915463 /nfs/dbraw/zinc/91/54/63/814915463.db2.gz ZMBAUCSJBAKJMH-VOAKCMCISA-N 2 1 276.346 2.492 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000714765023 814915670 /nfs/dbraw/zinc/91/56/70/814915670.db2.gz MXETWHWHCGYCJE-UHFFFAOYSA-N 2 1 278.396 2.407 20 0 CEADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cncnc2)CC1 ZINC001137668119 815662199 /nfs/dbraw/zinc/66/21/99/815662199.db2.gz XFHGFLYXZKKYMU-UHFFFAOYSA-N 2 1 262.401 2.029 20 0 CEADMP Cc1cccc(C[NH+]2CCN(CCC[NH+](C)C)CC2)c1F ZINC001137677153 815663659 /nfs/dbraw/zinc/66/36/59/815663659.db2.gz BWHBWYGAQZIZQJ-UHFFFAOYSA-N 2 1 293.430 2.203 20 0 CEADMP CC[C@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C1 ZINC001173280442 815668630 /nfs/dbraw/zinc/66/86/30/815668630.db2.gz PAKYJUNQJVHZOX-VVLHAWIVSA-N 2 1 279.472 2.275 20 0 CEADMP CC[N@H+]1CC[C@H](N(Cc2ccccc2)C[C@@H](C)C[NH3+])C1 ZINC001173354223 815694190 /nfs/dbraw/zinc/69/41/90/815694190.db2.gz XZXWCWJPWPIXDJ-RDJZCZTQSA-N 2 1 275.440 2.178 20 0 CEADMP CC[N@H+]1CC[C@H](n2c(C)c(CC[NH3+])c3cc(O)ccc32)C1 ZINC001173357323 815697296 /nfs/dbraw/zinc/69/72/96/815697296.db2.gz OKTBKFSWAQWFKV-ZDUSSCGKSA-N 2 1 287.407 2.423 20 0 CEADMP CC[N@@H+]1CC[C@@H](N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001173356757 815697935 /nfs/dbraw/zinc/69/79/35/815697935.db2.gz KIPLCFZZQFAMSX-IAGOWNOFSA-N 2 1 273.424 2.069 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001173356757 815697939 /nfs/dbraw/zinc/69/79/39/815697939.db2.gz KIPLCFZZQFAMSX-IAGOWNOFSA-N 2 1 273.424 2.069 20 0 CEADMP CC[NH+]1CC[C@@H](N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001173356757 815697945 /nfs/dbraw/zinc/69/79/45/815697945.db2.gz KIPLCFZZQFAMSX-IAGOWNOFSA-N 2 1 273.424 2.069 20 0 CEADMP CC[NH+]1CC[C@@H](N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001173356757 815697951 /nfs/dbraw/zinc/69/79/51/815697951.db2.gz KIPLCFZZQFAMSX-IAGOWNOFSA-N 2 1 273.424 2.069 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](CCC[NH3+])C(C)C)C1 ZINC001173622451 815765927 /nfs/dbraw/zinc/76/59/27/815765927.db2.gz KZBNQSPEONEIHB-ZIAGYGMSSA-N 2 1 270.417 2.168 20 0 CEADMP CSc1ncc(C)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206209088 815791954 /nfs/dbraw/zinc/79/19/54/815791954.db2.gz BCIFNHLBXWYYOI-QWHCGFSZSA-N 2 1 283.416 2.373 20 0 CEADMP CSc1ncc(C)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206209088 815791957 /nfs/dbraw/zinc/79/19/57/815791957.db2.gz BCIFNHLBXWYYOI-QWHCGFSZSA-N 2 1 283.416 2.373 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CC3(COC3)C2)cc1 ZINC001138543774 815823352 /nfs/dbraw/zinc/82/33/52/815823352.db2.gz UMXRHTNWZSHVEZ-UHFFFAOYSA-N 2 1 269.348 2.013 20 0 CEADMP CC[N@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)C1CN(C)C1 ZINC001138549606 815826034 /nfs/dbraw/zinc/82/60/34/815826034.db2.gz ACRNPAHQCBIQCM-UHFFFAOYSA-N 2 1 284.407 2.317 20 0 CEADMP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)C1CN(C)C1 ZINC001138549606 815826039 /nfs/dbraw/zinc/82/60/39/815826039.db2.gz ACRNPAHQCBIQCM-UHFFFAOYSA-N 2 1 284.407 2.317 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1F ZINC001138769809 815890953 /nfs/dbraw/zinc/89/09/53/815890953.db2.gz IWUIMAZYMJGOJS-CJNGLKHVSA-N 2 1 280.387 2.417 20 0 CEADMP CC1CC([N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)s2)C1 ZINC001139320036 816003239 /nfs/dbraw/zinc/00/32/39/816003239.db2.gz OAQPWJKMPHDZBX-UHFFFAOYSA-N 2 1 294.468 2.125 20 0 CEADMP CC1CC([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)s2)C1 ZINC001139320036 816003247 /nfs/dbraw/zinc/00/32/47/816003247.db2.gz OAQPWJKMPHDZBX-UHFFFAOYSA-N 2 1 294.468 2.125 20 0 CEADMP Cc1cc(Nc2cccc(C[NH+]3CCOCC3)c2)cc[nH+]1 ZINC001174655854 816067905 /nfs/dbraw/zinc/06/79/05/816067905.db2.gz TUDDQCJSAIOBKI-UHFFFAOYSA-N 2 1 283.375 2.388 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2cnn(C)c2c1 ZINC001139911764 816139105 /nfs/dbraw/zinc/13/91/05/816139105.db2.gz YXVDPUKTTBPRAI-UHFFFAOYSA-N 2 1 274.412 2.347 20 0 CEADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175255192 816162919 /nfs/dbraw/zinc/16/29/19/816162919.db2.gz DUESNVGMJQZYIZ-GJZGRUSLSA-N 2 1 283.460 2.144 20 0 CEADMP O=C1CCC[C@@]2(CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)N1 ZINC001140802787 816362215 /nfs/dbraw/zinc/36/22/15/816362215.db2.gz DLQCYQJOHNKLPO-KRWDZBQOSA-N 2 1 298.390 2.198 20 0 CEADMP O=C1CCC[C@@]2(CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)N1 ZINC001140802787 816362222 /nfs/dbraw/zinc/36/22/22/816362222.db2.gz DLQCYQJOHNKLPO-KRWDZBQOSA-N 2 1 298.390 2.198 20 0 CEADMP C[N@@H+]1C[C@H]2CCCN(Cc3cnc4cc[nH]cc3-4)[C@@H]2C1 ZINC001140807136 816371551 /nfs/dbraw/zinc/37/15/51/816371551.db2.gz NLHGCDASHICHBU-MLGOLLRUSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@H+]1C[C@H]2CCCN(Cc3cnc4cc[nH]cc3-4)[C@@H]2C1 ZINC001140807136 816371557 /nfs/dbraw/zinc/37/15/57/816371557.db2.gz NLHGCDASHICHBU-MLGOLLRUSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@@H+]1C[C@H]2CCCN(Cc3c[nH]c4cc[nH+]cc34)[C@@H]2C1 ZINC001140807136 816371564 /nfs/dbraw/zinc/37/15/64/816371564.db2.gz NLHGCDASHICHBU-MLGOLLRUSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@H+]1C[C@H]2CCCN(Cc3c[nH]c4cc[nH+]cc34)[C@@H]2C1 ZINC001140807136 816371577 /nfs/dbraw/zinc/37/15/77/816371577.db2.gz NLHGCDASHICHBU-MLGOLLRUSA-N 2 1 270.380 2.089 20 0 CEADMP Cc1cn2cc(Nc3cnn(CC[NH+](C)C)c3)ccc2[nH+]1 ZINC001176444304 816410603 /nfs/dbraw/zinc/41/06/03/816410603.db2.gz OURCMFFLUGEKKF-UHFFFAOYSA-N 2 1 284.367 2.144 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC[NH+](C)C ZINC001206273309 816422196 /nfs/dbraw/zinc/42/21/96/816422196.db2.gz SDYGNAAHTSVSIB-WBVHZDCISA-N 2 1 276.424 2.475 20 0 CEADMP C[C@@H]1CC[N@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140969998 816427284 /nfs/dbraw/zinc/42/72/84/816427284.db2.gz BTQKNBLLVIMUKE-CQSZACIVSA-N 2 1 259.397 2.033 20 0 CEADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563617 816441377 /nfs/dbraw/zinc/44/13/77/816441377.db2.gz GFMSJBIVMJRFNM-JKSUJKDBSA-N 2 1 297.487 2.249 20 0 CEADMP CC[C@@H](C)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176987001 816503698 /nfs/dbraw/zinc/50/36/98/816503698.db2.gz YYJDHLSOFNQUSA-HUUCEWRRSA-N 2 1 283.460 2.003 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001177245476 816536582 /nfs/dbraw/zinc/53/65/82/816536582.db2.gz SFMYJQRMTNUMPJ-RBSFLKMASA-N 2 1 256.434 2.369 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ncccc2F)CC1 ZINC001206304695 816568271 /nfs/dbraw/zinc/56/82/71/816568271.db2.gz OEBQXCXGCGCIEN-AWEZNQCLSA-N 2 1 251.349 2.172 20 0 CEADMP Cn1cc2c(cccc2C[N@@H+](C)CC2CC[NH+](C)CC2)n1 ZINC001142455904 816670767 /nfs/dbraw/zinc/67/07/67/816670767.db2.gz BTLUTXBNXCJDJZ-UHFFFAOYSA-N 2 1 286.423 2.347 20 0 CEADMP C[N@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC1 ZINC001178827371 816798482 /nfs/dbraw/zinc/79/84/82/816798482.db2.gz HKPCAPPXPRBGOG-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CC2CC2)C1 ZINC001179586444 816879965 /nfs/dbraw/zinc/87/99/65/816879965.db2.gz OSXGEIAUAOVKPX-HNNXBMFYSA-N 2 1 295.471 2.004 20 0 CEADMP Cc1ncc2c(n1)CC[N@@H+](Cc1cncn1C(C)C)C2 ZINC000567606921 299065997 /nfs/dbraw/zinc/06/59/97/299065997.db2.gz ISXYFDVBEGCLKV-UHFFFAOYSA-N 2 1 271.368 2.121 20 0 CEADMP Cc1ncc2c(n1)CC[N@H+](Cc1cncn1C(C)C)C2 ZINC000567606921 299066001 /nfs/dbraw/zinc/06/60/01/299066001.db2.gz ISXYFDVBEGCLKV-UHFFFAOYSA-N 2 1 271.368 2.121 20 0 CEADMP c1c2cccnc2oc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000449075605 282090320 /nfs/dbraw/zinc/09/03/20/282090320.db2.gz NRPRIWLDJYOOPT-GFCCVEGCSA-N 2 1 271.364 2.402 20 0 CEADMP c1c2cccnc2oc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000449075605 282090322 /nfs/dbraw/zinc/09/03/22/282090322.db2.gz NRPRIWLDJYOOPT-GFCCVEGCSA-N 2 1 271.364 2.402 20 0 CEADMP CC(C)[NH+](CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000127650634 187323289 /nfs/dbraw/zinc/32/32/89/187323289.db2.gz WLYVDTKVYZIZHR-JKSUJKDBSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H](CC(C)(C)C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000449090547 282096099 /nfs/dbraw/zinc/09/60/99/282096099.db2.gz GWQNIJTXLPBQDI-ZDUSSCGKSA-N 2 1 256.434 2.248 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3cccnc3o2)C1 ZINC000449090165 282096303 /nfs/dbraw/zinc/09/63/03/282096303.db2.gz MDKNAYXYFSMVLU-LBPRGKRZSA-N 2 1 259.353 2.259 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3cccnc3o2)C1 ZINC000449090165 282096304 /nfs/dbraw/zinc/09/63/04/282096304.db2.gz MDKNAYXYFSMVLU-LBPRGKRZSA-N 2 1 259.353 2.259 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H]2CC2(C)C)CC1 ZINC000337463547 214097708 /nfs/dbraw/zinc/09/77/08/214097708.db2.gz LLFLGVWIHOWOPR-OAHLLOKOSA-N 2 1 267.461 2.133 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC(C)(C)C)[NH2+]C)C1 ZINC000449141356 282116395 /nfs/dbraw/zinc/11/63/95/282116395.db2.gz PWZXJYGKCWSGLB-GJZGRUSLSA-N 2 1 297.487 2.201 20 0 CEADMP N[C@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccccc21 ZINC000567652915 299071469 /nfs/dbraw/zinc/07/14/69/299071469.db2.gz OVIJCUOQIUQPQQ-JKSUJKDBSA-N 2 1 257.381 2.031 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000121690947 365603149 /nfs/dbraw/zinc/60/31/49/365603149.db2.gz FVGPWBSPKGGKRI-DOTOQJQBSA-N 3 1 281.488 2.428 20 0 CEADMP CCN1CC[C@@H]([NH2+]CCC2CC[NH+](CC)CC2)[C@@H](C)C1 ZINC000121690947 365603154 /nfs/dbraw/zinc/60/31/54/365603154.db2.gz FVGPWBSPKGGKRI-DOTOQJQBSA-N 2 1 281.488 2.428 20 0 CEADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C(=O)OC ZINC000367740843 282121442 /nfs/dbraw/zinc/12/14/42/282121442.db2.gz QNZRQAVKWGCTIG-KFWWJZLASA-N 2 1 296.455 2.428 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@@H]3CCCOC3)C2)CC1 ZINC000336554793 365638586 /nfs/dbraw/zinc/63/85/86/365638586.db2.gz PUJLKKDKIRIVHZ-GOEBONIOSA-N 2 1 266.429 2.077 20 0 CEADMP Cc1nc(C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)no1 ZINC000125114064 187169803 /nfs/dbraw/zinc/16/98/03/187169803.db2.gz BJMZEYJCIBKIJI-AWEZNQCLSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc(C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)no1 ZINC000125114064 187169804 /nfs/dbraw/zinc/16/98/04/187169804.db2.gz BJMZEYJCIBKIJI-AWEZNQCLSA-N 2 1 278.400 2.042 20 0 CEADMP CC[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000124932098 365662759 /nfs/dbraw/zinc/66/27/59/365662759.db2.gz BJKAYKCVPFDEJS-QLFBSQMISA-N 2 1 297.487 2.199 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H](C)C[NH+]2CCCCC2)[C@H](C)C1 ZINC000125587292 365679204 /nfs/dbraw/zinc/67/92/04/365679204.db2.gz YLWUHOPHSSTVJV-ZACQAIPSSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)[C@H](C)C1 ZINC000125587292 365679212 /nfs/dbraw/zinc/67/92/12/365679212.db2.gz YLWUHOPHSSTVJV-ZACQAIPSSA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)[C@H](C)C1 ZINC000125587292 365679218 /nfs/dbraw/zinc/67/92/18/365679218.db2.gz YLWUHOPHSSTVJV-ZACQAIPSSA-N 3 1 281.488 2.428 20 0 CEADMP CCOc1cncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000621330111 349563516 /nfs/dbraw/zinc/56/35/16/349563516.db2.gz ZKBRPOVWAHKPIN-HUUCEWRRSA-N 2 1 275.396 2.197 20 0 CEADMP CCOc1cncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000621330111 349563519 /nfs/dbraw/zinc/56/35/19/349563519.db2.gz ZKBRPOVWAHKPIN-HUUCEWRRSA-N 2 1 275.396 2.197 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000125268506 187177303 /nfs/dbraw/zinc/17/73/03/187177303.db2.gz GHJDVWWQUUGVIC-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996541 361879929 /nfs/dbraw/zinc/87/99/29/361879929.db2.gz CREPVJBHWVZSKS-DLBZAZTESA-N 2 1 287.407 2.361 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996541 361879932 /nfs/dbraw/zinc/87/99/32/361879932.db2.gz CREPVJBHWVZSKS-DLBZAZTESA-N 2 1 287.407 2.361 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(NC(C)=O)cc2)C1 ZINC000037643848 361915650 /nfs/dbraw/zinc/91/56/50/361915650.db2.gz RNMGOUVEIIYJPM-HNNXBMFYSA-N 2 1 275.396 2.076 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000037644501 361917584 /nfs/dbraw/zinc/91/75/84/361917584.db2.gz SNLZEKZDBQPFJH-MRXNPFEDSA-N 2 1 284.407 2.304 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037648814 361917920 /nfs/dbraw/zinc/91/79/20/361917920.db2.gz MSDNEJIFQUGLHZ-CQSZACIVSA-N 2 1 284.407 2.217 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337998412 214352937 /nfs/dbraw/zinc/35/29/37/214352937.db2.gz MCBDQHJGIUIZKQ-MSOLQXFVSA-N 2 1 293.499 2.428 20 0 CEADMP C[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)[N@H+]1CCCC[C@H]1C ZINC000621642553 349650188 /nfs/dbraw/zinc/65/01/88/349650188.db2.gz QGCRAVNWVBVSEV-OAGGEKHMSA-N 2 1 295.471 2.145 20 0 CEADMP COCC1CCC([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000449285069 282171974 /nfs/dbraw/zinc/17/19/74/282171974.db2.gz QUJHPIKCESUUMQ-KLAILNCOSA-N 2 1 298.471 2.282 20 0 CEADMP COCC1CCC([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000449285069 282171975 /nfs/dbraw/zinc/17/19/75/282171975.db2.gz QUJHPIKCESUUMQ-KLAILNCOSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@@H](CC(C)(C)C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000449300725 282178753 /nfs/dbraw/zinc/17/87/53/282178753.db2.gz FGTLNYWCIHNYTL-AWEZNQCLSA-N 2 1 269.477 2.427 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000449319508 282186178 /nfs/dbraw/zinc/18/61/78/282186178.db2.gz KELIYCJUHSKQDM-RRFJBIMHSA-N 2 1 297.487 2.390 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357065301 529543882 /nfs/dbraw/zinc/54/38/82/529543882.db2.gz AEKWXMYHWPJAIO-JKSUJKDBSA-N 2 1 274.408 2.169 20 0 CEADMP CCn1nccc1CC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000621775102 349696989 /nfs/dbraw/zinc/69/69/89/349696989.db2.gz GGBJHBARIQAOAY-UHFFFAOYSA-N 2 1 278.444 2.287 20 0 CEADMP CCn1cc(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000621774937 349697547 /nfs/dbraw/zinc/69/75/47/349697547.db2.gz AVCXLBISXISPCZ-SJORKVTESA-N 2 1 290.455 2.157 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccn1 ZINC000621775173 349698077 /nfs/dbraw/zinc/69/80/77/349698077.db2.gz ICDQBUXVQREVCL-JKSUJKDBSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccn1 ZINC000621775173 349698081 /nfs/dbraw/zinc/69/80/81/349698081.db2.gz ICDQBUXVQREVCL-JKSUJKDBSA-N 2 1 259.397 2.354 20 0 CEADMP FC(F)(F)COCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000128119148 539251861 /nfs/dbraw/zinc/25/18/61/539251861.db2.gz BTWPQYTUFWZYGO-NEPJUHHUSA-N 2 1 280.334 2.172 20 0 CEADMP C[C@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)C(C)(C)C ZINC000668739025 539254837 /nfs/dbraw/zinc/25/48/37/539254837.db2.gz IPGFBBMJTSCIET-HIFRSBDPSA-N 2 1 268.445 2.200 20 0 CEADMP CC[C@@H](COCC(F)(F)F)[NH2+]C1CC[NH+](CC)CC1 ZINC000449382273 282207270 /nfs/dbraw/zinc/20/72/70/282207270.db2.gz WECFNWRZVLMPQZ-NSHDSACASA-N 2 1 282.350 2.418 20 0 CEADMP Cc1cc(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)[nH]1 ZINC000042395368 362091457 /nfs/dbraw/zinc/09/14/57/362091457.db2.gz WGSAMAOBCWLJGR-UHFFFAOYSA-N 2 1 277.412 2.088 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000312064234 539287210 /nfs/dbraw/zinc/28/72/10/539287210.db2.gz JYGMHHONWOFROK-CVEARBPZSA-N 2 1 268.445 2.390 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCCC1 ZINC000312064234 539287211 /nfs/dbraw/zinc/28/72/11/539287211.db2.gz JYGMHHONWOFROK-CVEARBPZSA-N 2 1 268.445 2.390 20 0 CEADMP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)C(C)C ZINC000126450580 187241314 /nfs/dbraw/zinc/24/13/14/187241314.db2.gz NFJCCIYDXSOAAI-HNNXBMFYSA-N 2 1 288.395 2.336 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C[C@H](C)O)C(C)C ZINC000346210436 282250942 /nfs/dbraw/zinc/25/09/42/282250942.db2.gz OMZZVUWDFIUIQS-ZDUSSCGKSA-N 2 1 288.395 2.167 20 0 CEADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000333243073 539322423 /nfs/dbraw/zinc/32/24/23/539322423.db2.gz FGHZQFUMLFHGLE-OLMNGRFOSA-N 2 1 265.445 2.157 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000351273729 219088793 /nfs/dbraw/zinc/08/87/93/219088793.db2.gz XKLZHHKFHXJBRC-IRXDYDNUSA-N 2 1 279.472 2.279 20 0 CEADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C1CCCCC1 ZINC000052873763 343567289 /nfs/dbraw/zinc/56/72/89/343567289.db2.gz QISYOZQYIHWMDY-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127945567 365769523 /nfs/dbraw/zinc/76/95/23/365769523.db2.gz UMYVSJOCZFYHPY-BZUAXINKSA-N 2 1 265.445 2.077 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000336718260 365783185 /nfs/dbraw/zinc/78/31/85/365783185.db2.gz RKABHSMJDBLFNZ-FHWLQOOXSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336718260 365783193 /nfs/dbraw/zinc/78/31/93/365783193.db2.gz RKABHSMJDBLFNZ-FHWLQOOXSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336718260 365783198 /nfs/dbraw/zinc/78/31/98/365783198.db2.gz RKABHSMJDBLFNZ-FHWLQOOXSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336718260 365783203 /nfs/dbraw/zinc/78/32/03/365783203.db2.gz RKABHSMJDBLFNZ-FHWLQOOXSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336718260 365783207 /nfs/dbraw/zinc/78/32/07/365783207.db2.gz RKABHSMJDBLFNZ-FHWLQOOXSA-N 2 1 299.462 2.477 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc1)C1CC1 ZINC000449603969 282301433 /nfs/dbraw/zinc/30/14/33/282301433.db2.gz RZODYZPLMGTTKY-CHWSQXEVSA-N 2 1 289.423 2.136 20 0 CEADMP C[N@H+](CCC(=O)NC1CCCC1)CC[C@H]1CCCC[NH+]1C ZINC000173958772 529871243 /nfs/dbraw/zinc/87/12/43/529871243.db2.gz LFWLHXGSCCPUHZ-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CCC(=O)NC1CCCC1)CC[C@H]1CCCC[N@@H+]1C ZINC000173958772 529871244 /nfs/dbraw/zinc/87/12/44/529871244.db2.gz LFWLHXGSCCPUHZ-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CCC(=O)NC1CCCC1)CC[C@H]1CCCC[N@H+]1C ZINC000173958772 529871245 /nfs/dbraw/zinc/87/12/45/529871245.db2.gz LFWLHXGSCCPUHZ-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCN2CCc3ccccc32)CC1 ZINC000292894640 539374212 /nfs/dbraw/zinc/37/42/12/539374212.db2.gz QQBVIQCTPMUPJL-QGZVFWFLSA-N 2 1 287.451 2.465 20 0 CEADMP C[NH+]1CCN(CCCC[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000075800825 343867574 /nfs/dbraw/zinc/86/75/74/343867574.db2.gz KZHUQMZUVIQUBY-UHFFFAOYSA-N 2 1 285.819 2.050 20 0 CEADMP CCCCNC(=O)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860653 343869886 /nfs/dbraw/zinc/86/98/86/343869886.db2.gz AIBITSCXZKOWJB-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCNC(=O)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860653 343869889 /nfs/dbraw/zinc/86/98/89/343869889.db2.gz AIBITSCXZKOWJB-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCNC(=O)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860653 343869891 /nfs/dbraw/zinc/86/98/91/343869891.db2.gz AIBITSCXZKOWJB-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP COCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000092043090 344176359 /nfs/dbraw/zinc/17/63/59/344176359.db2.gz MWFDJDYEVWSPSA-CJNGLKHVSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000092043090 344176362 /nfs/dbraw/zinc/17/63/62/344176362.db2.gz MWFDJDYEVWSPSA-CJNGLKHVSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)o1 ZINC000092043090 344176364 /nfs/dbraw/zinc/17/63/64/344176364.db2.gz MWFDJDYEVWSPSA-CJNGLKHVSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)o1 ZINC000092043090 344176365 /nfs/dbraw/zinc/17/63/65/344176365.db2.gz MWFDJDYEVWSPSA-CJNGLKHVSA-N 2 1 278.396 2.342 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)[C@H](C)C1 ZINC000449685133 282330904 /nfs/dbraw/zinc/33/09/04/282330904.db2.gz ROALHOXQUCUFMA-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000093406049 344223032 /nfs/dbraw/zinc/22/30/32/344223032.db2.gz MZXGJSMJDRNXCB-DZGCQCFKSA-N 2 1 282.453 2.492 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@H+]1C ZINC000164948191 344473150 /nfs/dbraw/zinc/47/31/50/344473150.db2.gz ZBDLOIGMBZSCAS-ZFWWWQNUSA-N 2 1 275.396 2.088 20 0 CEADMP CCC[N@@H+](CC)CCNc1cc(CC)nc(C)n1 ZINC000227866488 344556997 /nfs/dbraw/zinc/55/69/97/344556997.db2.gz OLRINCKSHAGMKO-UHFFFAOYSA-N 2 1 250.390 2.491 20 0 CEADMP CCC[N@H+](CC)CCNc1cc(CC)[nH+]c(C)n1 ZINC000227866488 344556998 /nfs/dbraw/zinc/55/69/98/344556998.db2.gz OLRINCKSHAGMKO-UHFFFAOYSA-N 2 1 250.390 2.491 20 0 CEADMP CCC[N@@H+](CC)CCNc1cc(CC)[nH+]c(C)n1 ZINC000227866488 344556999 /nfs/dbraw/zinc/55/69/99/344556999.db2.gz OLRINCKSHAGMKO-UHFFFAOYSA-N 2 1 250.390 2.491 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000050597681 362423935 /nfs/dbraw/zinc/42/39/35/362423935.db2.gz OLYNKCUEBWVCDR-OAHLLOKOSA-N 2 1 262.397 2.435 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000050597681 362423938 /nfs/dbraw/zinc/42/39/38/362423938.db2.gz OLYNKCUEBWVCDR-OAHLLOKOSA-N 2 1 262.397 2.435 20 0 CEADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCCO1 ZINC000351600273 219142133 /nfs/dbraw/zinc/14/21/33/219142133.db2.gz XUIIESHDPWNUQI-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCCO1 ZINC000351600273 219142136 /nfs/dbraw/zinc/14/21/36/219142136.db2.gz XUIIESHDPWNUQI-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCCO1 ZINC000351600273 219142139 /nfs/dbraw/zinc/14/21/39/219142139.db2.gz XUIIESHDPWNUQI-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP COC(=O)c1csc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000602518798 347064694 /nfs/dbraw/zinc/06/46/94/347064694.db2.gz SNOPQJGGQFEEGN-GFCCVEGCSA-N 2 1 296.436 2.356 20 0 CEADMP C[C@@H]1C[C@@H](N2CCC[C@@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000307691327 344724278 /nfs/dbraw/zinc/72/42/78/344724278.db2.gz PEIVLPYTZYARDB-DJIMGWMZSA-N 2 1 273.424 2.073 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000307982684 344725743 /nfs/dbraw/zinc/72/57/43/344725743.db2.gz NXUXPQXPBIVFLF-GJZGRUSLSA-N 2 1 276.428 2.236 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000307982684 344725746 /nfs/dbraw/zinc/72/57/46/344725746.db2.gz NXUXPQXPBIVFLF-GJZGRUSLSA-N 2 1 276.428 2.236 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1)O[C@H](C)C2 ZINC000314118070 344744584 /nfs/dbraw/zinc/74/45/84/344744584.db2.gz DBNXYBYFUJZFMY-PXAZEXFGSA-N 2 1 290.407 2.189 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1)O[C@H](C)C2 ZINC000314118070 344744586 /nfs/dbraw/zinc/74/45/86/344744586.db2.gz DBNXYBYFUJZFMY-PXAZEXFGSA-N 2 1 290.407 2.189 20 0 CEADMP C[C@H](O)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000305876997 344711333 /nfs/dbraw/zinc/71/13/33/344711333.db2.gz RTMKDOKDMLPUFN-XOYOTBSWSA-N 2 1 288.435 2.258 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000127251639 187292401 /nfs/dbraw/zinc/29/24/01/187292401.db2.gz SJCACLYTDZUOEY-UHFFFAOYSA-N 2 1 288.338 2.338 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000127251639 187292403 /nfs/dbraw/zinc/29/24/03/187292403.db2.gz SJCACLYTDZUOEY-UHFFFAOYSA-N 2 1 288.338 2.338 20 0 CEADMP CCc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000379905914 344821726 /nfs/dbraw/zinc/82/17/26/344821726.db2.gz KCYAIJJFZKSQRG-RISCZKNCSA-N 2 1 250.411 2.494 20 0 CEADMP CCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000379905914 344821728 /nfs/dbraw/zinc/82/17/28/344821728.db2.gz KCYAIJJFZKSQRG-RISCZKNCSA-N 2 1 250.411 2.494 20 0 CEADMP Cc1c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000386956929 344832455 /nfs/dbraw/zinc/83/24/55/344832455.db2.gz OMNYJTKUUPOIJI-HOCLYGCPSA-N 2 1 289.379 2.464 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000401780599 344869580 /nfs/dbraw/zinc/86/95/80/344869580.db2.gz PWFKWUFPMOQPGY-UHFFFAOYSA-N 2 1 287.392 2.204 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)OCC)CC1 ZINC000055059212 362541934 /nfs/dbraw/zinc/54/19/34/362541934.db2.gz DYRITJUHSIKICC-UHFFFAOYSA-N 2 1 284.444 2.384 20 0 CEADMP Cc1noc([C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000056522620 362561134 /nfs/dbraw/zinc/56/11/34/362561134.db2.gz WMGULUASYNZCQC-NSHDSACASA-N 2 1 266.389 2.103 20 0 CEADMP CS[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](SC)C2)C1 ZINC000590750041 345173892 /nfs/dbraw/zinc/17/38/92/345173892.db2.gz PYTACVXRMWQPEY-LQOBQMSGSA-N 2 1 286.510 2.417 20 0 CEADMP CS[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@H](SC)C2)C1 ZINC000590750041 345173894 /nfs/dbraw/zinc/17/38/94/345173894.db2.gz PYTACVXRMWQPEY-LQOBQMSGSA-N 2 1 286.510 2.417 20 0 CEADMP CS[C@@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@H](SC)C2)C1 ZINC000590750041 345173895 /nfs/dbraw/zinc/17/38/95/345173895.db2.gz PYTACVXRMWQPEY-LQOBQMSGSA-N 2 1 286.510 2.417 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCC2CCOCC2)CC[C@H]1[NH3+] ZINC000336785111 365804399 /nfs/dbraw/zinc/80/43/99/365804399.db2.gz BIPGYGQMFVKMNV-UKRRQHHQSA-N 2 1 254.418 2.252 20 0 CEADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000591577227 345265363 /nfs/dbraw/zinc/26/53/63/345265363.db2.gz CZIHDNBVSWTYSM-HIFRSBDPSA-N 2 1 282.428 2.230 20 0 CEADMP CCOC(=O)[C@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000592493960 345360155 /nfs/dbraw/zinc/36/01/55/345360155.db2.gz LJDRXAWNQZACHM-OAHLLOKOSA-N 2 1 282.428 2.184 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000229271490 539461312 /nfs/dbraw/zinc/46/13/12/539461312.db2.gz MFRXYULLSWVVKE-CQSZACIVSA-N 2 1 252.402 2.162 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])o1 ZINC000593314237 345465582 /nfs/dbraw/zinc/46/55/82/345465582.db2.gz BPKZXKNSOMZKTH-OCCSQVGLSA-N 2 1 294.395 2.406 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])o1 ZINC000593314237 345465584 /nfs/dbraw/zinc/46/55/84/345465584.db2.gz BPKZXKNSOMZKTH-OCCSQVGLSA-N 2 1 294.395 2.406 20 0 CEADMP COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCCc1c[nH+]cn1C ZINC000593968849 345557911 /nfs/dbraw/zinc/55/79/11/345557911.db2.gz SEQNTTCVFZIHPB-ZBFHGGJFSA-N 2 1 293.411 2.064 20 0 CEADMP CSCCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594495867 345638266 /nfs/dbraw/zinc/63/82/66/345638266.db2.gz UCFODTCUABFNIR-OAHLLOKOSA-N 2 1 286.485 2.363 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000623085853 349933410 /nfs/dbraw/zinc/93/34/10/349933410.db2.gz IWVOYNSMRXWFBE-UHFFFAOYSA-N 2 1 299.296 2.477 20 0 CEADMP CCOC(=O)CC[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000594583463 345651422 /nfs/dbraw/zinc/65/14/22/345651422.db2.gz NOXBRXYAXMBNMI-KBPBESRZSA-N 2 1 270.417 2.038 20 0 CEADMP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000594940435 345710959 /nfs/dbraw/zinc/71/09/59/345710959.db2.gz CRGLZNOJARRKRS-FXUDXRNXSA-N 2 1 296.455 2.284 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CSCCF)C1 ZINC000595020681 345729106 /nfs/dbraw/zinc/72/91/06/345729106.db2.gz ZDUYHYGRYRZUDP-QWHCGFSZSA-N 2 1 262.438 2.399 20 0 CEADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000595331287 345762718 /nfs/dbraw/zinc/76/27/18/345762718.db2.gz UNOREUYQDXTQOJ-SOUVJXGZSA-N 2 1 288.501 2.294 20 0 CEADMP CCS[C@@H]1CC[C@H]([NH+](C)C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000595331287 345762720 /nfs/dbraw/zinc/76/27/20/345762720.db2.gz UNOREUYQDXTQOJ-SOUVJXGZSA-N 2 1 288.501 2.294 20 0 CEADMP CCS[C@@H]1CC[C@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000595331287 345762721 /nfs/dbraw/zinc/76/27/21/345762721.db2.gz UNOREUYQDXTQOJ-SOUVJXGZSA-N 2 1 288.501 2.294 20 0 CEADMP Cc1noc(C)c1CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000166005829 232264446 /nfs/dbraw/zinc/26/44/46/232264446.db2.gz QPPOGJCSDUYDRJ-HNNXBMFYSA-N 2 1 277.412 2.252 20 0 CEADMP Cc1noc(C)c1CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000166005829 232264448 /nfs/dbraw/zinc/26/44/48/232264448.db2.gz QPPOGJCSDUYDRJ-HNNXBMFYSA-N 2 1 277.412 2.252 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900576 345910419 /nfs/dbraw/zinc/91/04/19/345910419.db2.gz HFJHEQAXJPNMHY-HNNXBMFYSA-N 2 1 282.428 2.040 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)C(C)(C)C)C[C@H]1C ZINC000336787156 365806697 /nfs/dbraw/zinc/80/66/97/365806697.db2.gz KUSLBMPVZQZCDS-HZSPNIEDSA-N 2 1 256.434 2.198 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000597240779 346159335 /nfs/dbraw/zinc/15/93/35/346159335.db2.gz RAGCQZYZZCJSOH-NVXWUHKLSA-N 2 1 294.439 2.325 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)c(C)[nH]2)CC1 ZINC000602585195 347089294 /nfs/dbraw/zinc/08/92/94/347089294.db2.gz CTSCQWLWUDBIQO-UHFFFAOYSA-N 2 1 293.411 2.074 20 0 CEADMP CC(C)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCCCC1 ZINC000351715285 219183372 /nfs/dbraw/zinc/18/33/72/219183372.db2.gz ILSIWCNJOAMFCF-MRXNPFEDSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCCCC1 ZINC000351715285 219183374 /nfs/dbraw/zinc/18/33/74/219183374.db2.gz ILSIWCNJOAMFCF-MRXNPFEDSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000351715285 219183376 /nfs/dbraw/zinc/18/33/76/219183376.db2.gz ILSIWCNJOAMFCF-MRXNPFEDSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCCCC1 ZINC000351715285 219183378 /nfs/dbraw/zinc/18/33/78/219183378.db2.gz ILSIWCNJOAMFCF-MRXNPFEDSA-N 2 1 268.445 2.485 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC1CCOCC1 ZINC000336790005 365810244 /nfs/dbraw/zinc/81/02/44/365810244.db2.gz VLPIXKSJWJDVCK-UMVBOHGHSA-N 2 1 254.418 2.121 20 0 CEADMP CCOCC(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336789379 365810808 /nfs/dbraw/zinc/81/08/08/365810808.db2.gz JEDBFXAPKZPIJL-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)CC1(C)C ZINC000598964981 346439443 /nfs/dbraw/zinc/43/94/43/346439443.db2.gz IWFKXQQOPWEDMQ-XOBRGWDASA-N 2 1 294.464 2.386 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)CC1(C)C ZINC000598964981 346439446 /nfs/dbraw/zinc/43/94/46/346439446.db2.gz IWFKXQQOPWEDMQ-XOBRGWDASA-N 2 1 294.464 2.386 20 0 CEADMP CCC(CC)C[N@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000336790575 365812034 /nfs/dbraw/zinc/81/20/34/365812034.db2.gz LSCVVYQUMWIJER-OAHLLOKOSA-N 2 1 256.434 2.200 20 0 CEADMP CCC(CC)C[N@@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000336790575 365812041 /nfs/dbraw/zinc/81/20/41/365812041.db2.gz LSCVVYQUMWIJER-OAHLLOKOSA-N 2 1 256.434 2.200 20 0 CEADMP CCC(CC)C[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336790575 365812048 /nfs/dbraw/zinc/81/20/48/365812048.db2.gz LSCVVYQUMWIJER-OAHLLOKOSA-N 2 1 256.434 2.200 20 0 CEADMP CCC(CC)C[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336790575 365812053 /nfs/dbraw/zinc/81/20/53/365812053.db2.gz LSCVVYQUMWIJER-OAHLLOKOSA-N 2 1 256.434 2.200 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCC2CCOCC2)CC[N@@H+]1C ZINC000336795485 365818339 /nfs/dbraw/zinc/81/83/39/365818339.db2.gz KXJVRIQELUYSRK-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCC2CCOCC2)CC[N@H+]1C ZINC000336795485 365818340 /nfs/dbraw/zinc/81/83/40/365818340.db2.gz KXJVRIQELUYSRK-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCC2CCOCC2)CC[NH+]1C ZINC000336795485 365818341 /nfs/dbraw/zinc/81/83/41/365818341.db2.gz KXJVRIQELUYSRK-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2CCOCC2)CC[NH+]1C ZINC000336795485 365818343 /nfs/dbraw/zinc/81/83/43/365818343.db2.gz KXJVRIQELUYSRK-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC(=O)OC)C[C@H]1C ZINC000599312622 346497535 /nfs/dbraw/zinc/49/75/35/346497535.db2.gz ANFADICFKSWVHE-ZIAGYGMSSA-N 2 1 270.417 2.134 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC(=O)OC)C[C@H]1C ZINC000599312622 346497539 /nfs/dbraw/zinc/49/75/39/346497539.db2.gz ANFADICFKSWVHE-ZIAGYGMSSA-N 2 1 270.417 2.134 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC(=O)OC)C[C@H]1C ZINC000599312622 346497542 /nfs/dbraw/zinc/49/75/42/346497542.db2.gz ANFADICFKSWVHE-ZIAGYGMSSA-N 2 1 270.417 2.134 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000336797975 365823119 /nfs/dbraw/zinc/82/31/19/365823119.db2.gz CFKMYFGWFWOGCX-HZPDHXFCSA-N 2 1 265.445 2.031 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000336798379 365823277 /nfs/dbraw/zinc/82/32/77/365823277.db2.gz DTUGXUAYGNVROX-JKSUJKDBSA-N 2 1 265.445 2.031 20 0 CEADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC[C@H]1CCC[NH+]1C ZINC000336799913 365827915 /nfs/dbraw/zinc/82/79/15/365827915.db2.gz KKLBUANYFGCZAM-BZUAXINKSA-N 2 1 265.445 2.029 20 0 CEADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1CC[C@H]1CCC[N@@H+]1C ZINC000336799913 365827919 /nfs/dbraw/zinc/82/79/19/365827919.db2.gz KKLBUANYFGCZAM-BZUAXINKSA-N 2 1 265.445 2.029 20 0 CEADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1CC[C@H]1CCC[N@H+]1C ZINC000336799913 365827923 /nfs/dbraw/zinc/82/79/23/365827923.db2.gz KKLBUANYFGCZAM-BZUAXINKSA-N 2 1 265.445 2.029 20 0 CEADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC[C@@H]1CCC[NH+]1C ZINC000336799915 365828102 /nfs/dbraw/zinc/82/81/02/365828102.db2.gz KKLBUANYFGCZAM-OWCLPIDISA-N 2 1 265.445 2.029 20 0 CEADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1CC[C@@H]1CCC[N@@H+]1C ZINC000336799915 365828113 /nfs/dbraw/zinc/82/81/13/365828113.db2.gz KKLBUANYFGCZAM-OWCLPIDISA-N 2 1 265.445 2.029 20 0 CEADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1CC[C@@H]1CCC[N@H+]1C ZINC000336799915 365828122 /nfs/dbraw/zinc/82/81/22/365828122.db2.gz KKLBUANYFGCZAM-OWCLPIDISA-N 2 1 265.445 2.029 20 0 CEADMP C([C@H]1CC[N@@H+](CC2CCCCC2)C1)N1CCOCC1 ZINC000129198680 365835593 /nfs/dbraw/zinc/83/55/93/365835593.db2.gz QZQUCKZDNGAXQB-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP CCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCOCC1 ZINC000336816825 365859389 /nfs/dbraw/zinc/85/93/89/365859389.db2.gz NNANDKHNTOXPAE-UHFFFAOYSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000336811644 365850323 /nfs/dbraw/zinc/85/03/23/365850323.db2.gz NWHDPRDEIPNGEO-CQSZACIVSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000336811644 365850325 /nfs/dbraw/zinc/85/03/25/365850325.db2.gz NWHDPRDEIPNGEO-CQSZACIVSA-N 2 1 265.401 2.065 20 0 CEADMP C[C@H](O)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000085984040 179210623 /nfs/dbraw/zinc/21/06/23/179210623.db2.gz NMHLTYFVLDJMLW-HNNXBMFYSA-N 2 1 276.424 2.054 20 0 CEADMP O[C@@]12CCCC[C@H]1C[N@@H+](CCC[NH+]1CCCC1)CC2 ZINC000128556538 187376901 /nfs/dbraw/zinc/37/69/01/187376901.db2.gz BCHKZDXJMJBMQX-JKSUJKDBSA-N 2 1 266.429 2.099 20 0 CEADMP Fc1ccc(OCCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000336830594 365895664 /nfs/dbraw/zinc/89/56/64/365895664.db2.gz GXHMSSBZWPBUKG-XJKSGUPXSA-N 2 1 278.371 2.278 20 0 CEADMP C[NH+](C)CCOC1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000608497288 347595931 /nfs/dbraw/zinc/59/59/31/347595931.db2.gz DFIIGTSXKGPQLV-UHFFFAOYSA-N 2 1 297.830 2.278 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000336836165 365906826 /nfs/dbraw/zinc/90/68/26/365906826.db2.gz BPCJAEWSBKVSKL-OAHLLOKOSA-N 2 1 289.423 2.409 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000336836165 365906830 /nfs/dbraw/zinc/90/68/30/365906830.db2.gz BPCJAEWSBKVSKL-OAHLLOKOSA-N 2 1 289.423 2.409 20 0 CEADMP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000611782072 347816272 /nfs/dbraw/zinc/81/62/72/347816272.db2.gz FZAQOEMINDZGJY-CABCVRRESA-N 2 1 293.411 2.498 20 0 CEADMP CCOC(=O)[C@H](CC(C)C)N1CCC[C@@H](n2ccnc2)C1 ZINC000611782072 347816273 /nfs/dbraw/zinc/81/62/73/347816273.db2.gz FZAQOEMINDZGJY-CABCVRRESA-N 2 1 293.411 2.498 20 0 CEADMP C[C@@H]1C[C@@H](Nc2cc(CSCCO)ccn2)CC[N@H+]1C ZINC000611477215 347783334 /nfs/dbraw/zinc/78/33/34/347783334.db2.gz HDTZNWBDLBWMAL-OCCSQVGLSA-N 2 1 295.452 2.202 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CCc2ccccc2)CC[N@H+]1C ZINC000273317314 192111638 /nfs/dbraw/zinc/11/16/38/192111638.db2.gz YHPWOYBCTVNAHU-HYVNUMGLSA-N 2 1 276.424 2.052 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000613663342 348086675 /nfs/dbraw/zinc/08/66/75/348086675.db2.gz XNYSDSSAKMQKPI-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+]1CC[C@@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000614255001 348168655 /nfs/dbraw/zinc/16/86/55/348168655.db2.gz NJYZFXGXMFHTKG-CYBMUJFWSA-N 2 1 296.374 2.137 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H]3CCC(F)(F)C3)C2)C1 ZINC000336268464 539605431 /nfs/dbraw/zinc/60/54/31/539605431.db2.gz RNIZGDUTXFTCMG-STQMWFEESA-N 2 1 258.356 2.449 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3CCC(F)(F)C3)C2)C1 ZINC000336268464 539605434 /nfs/dbraw/zinc/60/54/34/539605434.db2.gz RNIZGDUTXFTCMG-STQMWFEESA-N 2 1 258.356 2.449 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CCC(F)(F)C3)C2)C1 ZINC000336268464 539605437 /nfs/dbraw/zinc/60/54/37/539605437.db2.gz RNIZGDUTXFTCMG-STQMWFEESA-N 2 1 258.356 2.449 20 0 CEADMP CC(C)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000614963155 348261264 /nfs/dbraw/zinc/26/12/64/348261264.db2.gz XBXRANHJRKGZSI-HZPDHXFCSA-N 2 1 267.461 2.131 20 0 CEADMP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000615302592 348310494 /nfs/dbraw/zinc/31/04/94/348310494.db2.gz DJFPDZPGVIWOIG-HOCLYGCPSA-N 2 1 295.471 2.192 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCOCC2)[C@@H]2CCC[C@H]21 ZINC000353616997 290215580 /nfs/dbraw/zinc/21/55/80/290215580.db2.gz CKPOFIAXUIMCLU-SOUVJXGZSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357084895 233002917 /nfs/dbraw/zinc/00/29/17/233002917.db2.gz KDWXVVJTYMNMEU-HZPDHXFCSA-N 2 1 274.408 2.305 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357084897 233003469 /nfs/dbraw/zinc/00/34/69/233003469.db2.gz KDWXVVJTYMNMEU-JKSUJKDBSA-N 2 1 274.408 2.305 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(-n3cccn3)c2)CC1(C)C ZINC000623355110 349996650 /nfs/dbraw/zinc/99/66/50/349996650.db2.gz ZMRCHPXLGFLFJB-OAHLLOKOSA-N 2 1 299.422 2.230 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(-n3cccn3)c2)CC1(C)C ZINC000623355110 349996654 /nfs/dbraw/zinc/99/66/54/349996654.db2.gz ZMRCHPXLGFLFJB-OAHLLOKOSA-N 2 1 299.422 2.230 20 0 CEADMP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+](CC)CC ZINC000616995629 348602534 /nfs/dbraw/zinc/60/25/34/348602534.db2.gz VSWULWZMOAKKOS-CABCVRRESA-N 2 1 297.487 2.343 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617000362 348604330 /nfs/dbraw/zinc/60/43/30/348604330.db2.gz YRCWFNAXHBRVLG-KGLIPLIRSA-N 2 1 297.487 2.390 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339071098 539659091 /nfs/dbraw/zinc/65/90/91/539659091.db2.gz QBERZMMHLSKEAL-OAGGEKHMSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339071098 539659092 /nfs/dbraw/zinc/65/90/92/539659092.db2.gz QBERZMMHLSKEAL-OAGGEKHMSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339071098 539659095 /nfs/dbraw/zinc/65/90/95/539659095.db2.gz QBERZMMHLSKEAL-OAGGEKHMSA-N 2 1 265.445 2.077 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)NCC[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000617751768 348779486 /nfs/dbraw/zinc/77/94/86/348779486.db2.gz CJAGSQWTIJXZQF-ZBFHGGJFSA-N 2 1 291.439 2.136 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623373102 350002672 /nfs/dbraw/zinc/00/26/72/350002672.db2.gz RXZZYTHMNPJMNJ-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623373102 350002674 /nfs/dbraw/zinc/00/26/74/350002674.db2.gz RXZZYTHMNPJMNJ-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623373102 350002677 /nfs/dbraw/zinc/00/26/77/350002677.db2.gz RXZZYTHMNPJMNJ-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623373102 350002681 /nfs/dbraw/zinc/00/26/81/350002681.db2.gz RXZZYTHMNPJMNJ-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623373102 350002683 /nfs/dbraw/zinc/00/26/83/350002683.db2.gz RXZZYTHMNPJMNJ-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623373102 350002685 /nfs/dbraw/zinc/00/26/85/350002685.db2.gz RXZZYTHMNPJMNJ-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623373102 350002688 /nfs/dbraw/zinc/00/26/88/350002688.db2.gz RXZZYTHMNPJMNJ-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000068525208 362943276 /nfs/dbraw/zinc/94/32/76/362943276.db2.gz XXQRDLJSQMDVQQ-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623402738 350010419 /nfs/dbraw/zinc/01/04/19/350010419.db2.gz XTYGYQGINBNVMV-KBPBESRZSA-N 2 1 255.450 2.179 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)CC1(C)C ZINC000623448866 350023312 /nfs/dbraw/zinc/02/33/12/350023312.db2.gz DDQINQVCAWVFAO-XQLPTFJDSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CCO)CCC2)CC1(C)C ZINC000623453270 350024511 /nfs/dbraw/zinc/02/45/11/350024511.db2.gz GXJKACMRWFMUKL-CYBMUJFWSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)CCc2ccccc2)CC1(C)C ZINC000623490571 350032959 /nfs/dbraw/zinc/03/29/59/350032959.db2.gz OTZDRZXAHYDTJH-IAGOWNOFSA-N 2 1 290.451 2.443 20 0 CEADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000623479188 350030596 /nfs/dbraw/zinc/03/05/96/350030596.db2.gz KBVXSQMYSYVVOA-JHJVBQTASA-N 2 1 254.418 2.405 20 0 CEADMP C[N@H+]1CCCC[C@@H](CNCc2cnc3ccccn23)C1 ZINC000623656336 350076443 /nfs/dbraw/zinc/07/64/43/350076443.db2.gz SELBGISCXXPSFK-AWEZNQCLSA-N 2 1 272.396 2.156 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnc3ccccn23)C1 ZINC000623656336 350076452 /nfs/dbraw/zinc/07/64/52/350076452.db2.gz SELBGISCXXPSFK-AWEZNQCLSA-N 2 1 272.396 2.156 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnc3ccccn23)C1 ZINC000623656336 350076455 /nfs/dbraw/zinc/07/64/55/350076455.db2.gz SELBGISCXXPSFK-AWEZNQCLSA-N 2 1 272.396 2.156 20 0 CEADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCOCC1 ZINC000623553485 350049042 /nfs/dbraw/zinc/04/90/42/350049042.db2.gz XDVSZTCYARZYQH-UONOGXRCSA-N 2 1 284.444 2.033 20 0 CEADMP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623561261 350051746 /nfs/dbraw/zinc/05/17/46/350051746.db2.gz HJWLBZIIBZNXGL-DZGCQCFKSA-N 2 1 261.413 2.475 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000090694103 180025899 /nfs/dbraw/zinc/02/58/99/180025899.db2.gz ZOMABLAIYKXZFY-UHFFFAOYSA-N 2 1 292.423 2.396 20 0 CEADMP Cc1csc([C@@H](C)[NH2+]CCCCN2CC[NH+](C)CC2)n1 ZINC000623862450 350129016 /nfs/dbraw/zinc/12/90/16/350129016.db2.gz UKZVOKILRLTGTQ-CQSZACIVSA-N 2 1 296.484 2.130 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412039204 233321207 /nfs/dbraw/zinc/32/12/07/233321207.db2.gz HSFMKTVHBMMTKA-XHSDSOJGSA-N 2 1 277.412 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412039204 233321210 /nfs/dbraw/zinc/32/12/10/233321210.db2.gz HSFMKTVHBMMTKA-XHSDSOJGSA-N 2 1 277.412 2.065 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCOC1 ZINC000624122283 350200322 /nfs/dbraw/zinc/20/03/22/350200322.db2.gz NRBMEBIQWIJBKP-SOUVJXGZSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624123085 350201040 /nfs/dbraw/zinc/20/10/40/350201040.db2.gz FQGNEPDQDFZZIU-TZMCWYRMSA-N 2 1 262.401 2.168 20 0 CEADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123085 350201043 /nfs/dbraw/zinc/20/10/43/350201043.db2.gz FQGNEPDQDFZZIU-TZMCWYRMSA-N 2 1 262.401 2.168 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624123978 350201058 /nfs/dbraw/zinc/20/10/58/350201058.db2.gz VEKJPCWQASVDBR-HIFRSBDPSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123978 350201061 /nfs/dbraw/zinc/20/10/61/350201061.db2.gz VEKJPCWQASVDBR-HIFRSBDPSA-N 2 1 276.428 2.119 20 0 CEADMP Cc1cc(C[NH+]2CCC([NH+](C)C)CC2)ccc1-n1cncn1 ZINC000091669313 180224249 /nfs/dbraw/zinc/22/42/49/180224249.db2.gz PZIWRADELHRZSZ-UHFFFAOYSA-N 2 1 299.422 2.102 20 0 CEADMP Cc1ccc(C)c(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000105477140 186059370 /nfs/dbraw/zinc/05/93/70/186059370.db2.gz UBYHNUVRNBBWBC-UHFFFAOYSA-N 2 1 289.467 2.421 20 0 CEADMP C[N@@H+](Cc1ccnc(Cl)c1)C1CCC([NH3+])CC1 ZINC000091846412 180270162 /nfs/dbraw/zinc/27/01/62/180270162.db2.gz QYOUJDUMIHKPKI-UHFFFAOYSA-N 2 1 253.777 2.437 20 0 CEADMP Cc1ccncc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000271358830 191096161 /nfs/dbraw/zinc/09/61/61/191096161.db2.gz FDWADISYOBCWCV-CVEARBPZSA-N 2 1 291.439 2.278 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868720 186144392 /nfs/dbraw/zinc/14/43/92/186144392.db2.gz ASJHOEJQBVLEJE-HUUCEWRRSA-N 2 1 260.381 2.412 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000107349488 186170268 /nfs/dbraw/zinc/17/02/68/186170268.db2.gz VRIDFKCPHUNMGW-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP c1ccc2cc(OCC[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000107577903 186179254 /nfs/dbraw/zinc/17/92/54/186179254.db2.gz LOMXOORPZDVJMR-CALCHBBNSA-N 2 1 282.387 2.370 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CC(C)(C)CCC1(C)C)C1CC1 ZINC000625723926 350554528 /nfs/dbraw/zinc/55/45/28/350554528.db2.gz XVSIPCIIFLRARU-AWEZNQCLSA-N 2 1 268.445 2.342 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CC(C)(C)CCC1(C)C)C1CC1 ZINC000625723926 350554531 /nfs/dbraw/zinc/55/45/31/350554531.db2.gz XVSIPCIIFLRARU-AWEZNQCLSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CC(C)(C)CCC1(C)C)C1CC1 ZINC000625723926 350554535 /nfs/dbraw/zinc/55/45/35/350554535.db2.gz XVSIPCIIFLRARU-AWEZNQCLSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CC(C)(C)CCC1(C)C)C1CC1 ZINC000625723926 350554539 /nfs/dbraw/zinc/55/45/39/350554539.db2.gz XVSIPCIIFLRARU-AWEZNQCLSA-N 2 1 268.445 2.342 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000110371139 186294394 /nfs/dbraw/zinc/29/43/94/186294394.db2.gz GMIMGAUTYUCYLT-MRXNPFEDSA-N 2 1 267.461 2.456 20 0 CEADMP [NH3+]CCCCCCCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000110371139 186294396 /nfs/dbraw/zinc/29/43/96/186294396.db2.gz GMIMGAUTYUCYLT-MRXNPFEDSA-N 2 1 267.461 2.456 20 0 CEADMP Cc1nc(C)c(C[NH2+]CCCCn2cc[nH+]c2C)o1 ZINC000628218951 351010443 /nfs/dbraw/zinc/01/04/43/351010443.db2.gz WGUIPKVEYZORRJ-UHFFFAOYSA-N 2 1 262.357 2.366 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](O)c1cccc(F)c1 ZINC000271427376 191131032 /nfs/dbraw/zinc/13/10/32/191131032.db2.gz BIZGHZKTIKQSRD-NKKGCODLSA-N 2 1 292.398 2.464 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C12CCCCC2 ZINC000629543518 351404888 /nfs/dbraw/zinc/40/48/88/351404888.db2.gz AWAVGYIRRLBXAP-LJISPDSOSA-N 2 1 266.429 2.454 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)cs1 ZINC000629518650 351384826 /nfs/dbraw/zinc/38/48/26/351384826.db2.gz ALQBNOBXRZHGHL-NSHDSACASA-N 2 1 254.399 2.215 20 0 CEADMP CCO[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000629516450 351385358 /nfs/dbraw/zinc/38/53/58/351385358.db2.gz GEYBJKDNMBEYPB-IXXDHKBRSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cnn(C2CCCC2)c1 ZINC000629520535 351386169 /nfs/dbraw/zinc/38/61/69/351386169.db2.gz LJVIRKHAAMEPFB-CYBMUJFWSA-N 2 1 292.427 2.157 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cnn(C2CCCC2)c1 ZINC000629520540 351386193 /nfs/dbraw/zinc/38/61/93/351386193.db2.gz LJVIRKHAAMEPFB-ZDUSSCGKSA-N 2 1 292.427 2.157 20 0 CEADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cccc3Cl)CCOCC1 ZINC000629519707 351386214 /nfs/dbraw/zinc/38/62/14/351386214.db2.gz CKXMWGHQOJOFTG-CQSZACIVSA-N 2 1 280.799 2.425 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2CC(F)F)c2ccccc21 ZINC000629519735 351386504 /nfs/dbraw/zinc/38/65/04/351386504.db2.gz QIZJGTIPSZUVIF-NILFDRSVSA-N 2 1 295.377 2.450 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000629387845 351346261 /nfs/dbraw/zinc/34/62/61/351346261.db2.gz GGOFZFTWNDGWHR-SPUZQDLCSA-N 2 1 287.451 2.237 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000629387932 351346279 /nfs/dbraw/zinc/34/62/79/351346279.db2.gz KFIXDVRHSYMBPG-LAVFITLUSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C[NH2+]1 ZINC000629396546 351349606 /nfs/dbraw/zinc/34/96/06/351349606.db2.gz MMYMPWQMQCWXMA-ZFWWWQNUSA-N 2 1 295.471 2.144 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070074599 363026931 /nfs/dbraw/zinc/02/69/31/363026931.db2.gz BVMUFBKLGMWRGD-DOMZBBRYSA-N 2 1 276.380 2.032 20 0 CEADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407168 351354532 /nfs/dbraw/zinc/35/45/32/351354532.db2.gz WFHKCMILZXIXTB-TYNCELHUSA-N 2 1 250.361 2.487 20 0 CEADMP CCc1noc(C2CCC([NH2+][C@@H]3CC[C@@H](C)[NH2+]C3)CC2)n1 ZINC000629415790 351357466 /nfs/dbraw/zinc/35/74/66/351357466.db2.gz SGZUXAKHVORKPN-BLYZHGLHSA-N 2 1 292.427 2.388 20 0 CEADMP COC1(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCCC1 ZINC000629655866 351452232 /nfs/dbraw/zinc/45/22/32/351452232.db2.gz XVCAGKUWXKEONM-HUUCEWRRSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)C[NH2+]1 ZINC000629659473 351454193 /nfs/dbraw/zinc/45/41/93/351454193.db2.gz ANBXCPPSQOAYGK-CJNGLKHVSA-N 2 1 274.408 2.284 20 0 CEADMP COc1cccc2c1C[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000629664157 351456704 /nfs/dbraw/zinc/45/67/04/351456704.db2.gz JGDQRJIVOAYXFI-STQMWFEESA-N 2 1 260.381 2.399 20 0 CEADMP CCO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C1CC1 ZINC000629550646 351410291 /nfs/dbraw/zinc/41/02/91/351410291.db2.gz ZUNKPQALWMRRGY-QBPKDAKJSA-N 2 1 296.455 2.162 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000629571659 351418542 /nfs/dbraw/zinc/41/85/42/351418542.db2.gz OPECWGWYUXBFKF-UHFFFAOYSA-N 2 1 280.412 2.142 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(C(C)C)c1 ZINC000629572609 351418639 /nfs/dbraw/zinc/41/86/39/351418639.db2.gz YSJOMHUOKKIKIK-UHFFFAOYSA-N 2 1 264.413 2.478 20 0 CEADMP C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000629580334 351422197 /nfs/dbraw/zinc/42/21/97/351422197.db2.gz QVFWRIFGPDCQCF-IJLUTSLNSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000629580334 351422202 /nfs/dbraw/zinc/42/22/02/351422202.db2.gz QVFWRIFGPDCQCF-IJLUTSLNSA-N 2 1 280.334 2.028 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000629588446 351424324 /nfs/dbraw/zinc/42/43/24/351424324.db2.gz HVSJFILGEYDICI-WNRNVDISSA-N 2 1 288.435 2.258 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000629588446 351424325 /nfs/dbraw/zinc/42/43/25/351424325.db2.gz HVSJFILGEYDICI-WNRNVDISSA-N 2 1 288.435 2.258 20 0 CEADMP COc1ccc(CC[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000070149788 363038121 /nfs/dbraw/zinc/03/81/21/363038121.db2.gz WRXMXRCSLRUJJD-HNNXBMFYSA-N 2 1 262.397 2.441 20 0 CEADMP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1 ZINC000070149984 363038396 /nfs/dbraw/zinc/03/83/96/363038396.db2.gz ZETQWTABJLSBDO-GDBMZVCRSA-N 2 1 289.423 2.067 20 0 CEADMP C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1 ZINC000070149984 363038406 /nfs/dbraw/zinc/03/84/06/363038406.db2.gz ZETQWTABJLSBDO-GDBMZVCRSA-N 2 1 289.423 2.067 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000070170686 363043559 /nfs/dbraw/zinc/04/35/59/363043559.db2.gz MRIXABFCZCOZRB-OAHLLOKOSA-N 2 1 284.407 2.433 20 0 CEADMP COc1ccc(CC[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070174238 363047636 /nfs/dbraw/zinc/04/76/36/363047636.db2.gz CRJCJIYDUMDZRX-HIFRSBDPSA-N 2 1 262.397 2.297 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[NH+](C)C1CCC1 ZINC000629949290 351549297 /nfs/dbraw/zinc/54/92/97/351549297.db2.gz OVQPNNANLBOMLD-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C[N@H+](C)C1CCC1 ZINC000629949290 351549302 /nfs/dbraw/zinc/54/93/02/351549302.db2.gz OVQPNNANLBOMLD-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC000629949290 351549305 /nfs/dbraw/zinc/54/93/05/351549305.db2.gz OVQPNNANLBOMLD-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)CC(C)C ZINC000629970070 351561011 /nfs/dbraw/zinc/56/10/11/351561011.db2.gz SOERJEWHBAPJQJ-INIZCTEOSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000131231410 366033744 /nfs/dbraw/zinc/03/37/44/366033744.db2.gz XENPDRVZIHVZDN-CJNGLKHVSA-N 2 1 274.408 2.094 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1F ZINC000131565323 366066091 /nfs/dbraw/zinc/06/60/91/366066091.db2.gz WVIUHNBZMAGBAA-JQWIXIFHSA-N 2 1 252.333 2.003 20 0 CEADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1F ZINC000131565323 366066095 /nfs/dbraw/zinc/06/60/95/366066095.db2.gz WVIUHNBZMAGBAA-JQWIXIFHSA-N 2 1 252.333 2.003 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000131552173 366064653 /nfs/dbraw/zinc/06/46/53/366064653.db2.gz WMNQNLXLTPGMIZ-DZGCQCFKSA-N 2 1 270.380 2.041 20 0 CEADMP CCOc1ccccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291731770 198072860 /nfs/dbraw/zinc/07/28/60/198072860.db2.gz NWXWSEFHOCJQNH-CYBMUJFWSA-N 2 1 250.386 2.373 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cn1 ZINC000291742373 198077485 /nfs/dbraw/zinc/07/74/85/198077485.db2.gz OZTREXSJZOUISM-CQSZACIVSA-N 2 1 278.444 2.214 20 0 CEADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000291777066 198089236 /nfs/dbraw/zinc/08/92/36/198089236.db2.gz UMBLPJZWWQTQGH-OIISXLGYSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000291777066 198089238 /nfs/dbraw/zinc/08/92/38/198089238.db2.gz UMBLPJZWWQTQGH-OIISXLGYSA-N 2 1 276.424 2.400 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000124170644 187124859 /nfs/dbraw/zinc/12/48/59/187124859.db2.gz GETDBRBIMPYNMT-KRWDZBQOSA-N 2 1 298.434 2.363 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000124170644 187124860 /nfs/dbraw/zinc/12/48/60/187124860.db2.gz GETDBRBIMPYNMT-KRWDZBQOSA-N 2 1 298.434 2.363 20 0 CEADMP Cc1cc(C)c(/C=C/C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(C)c1 ZINC000631112929 351969700 /nfs/dbraw/zinc/96/97/00/351969700.db2.gz SEBMQPOBOWHJGH-DUMMIQTOSA-N 2 1 288.435 2.281 20 0 CEADMP Cc1cc(C)c(/C=C/C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(C)c1 ZINC000631112929 351969702 /nfs/dbraw/zinc/96/97/02/351969702.db2.gz SEBMQPOBOWHJGH-DUMMIQTOSA-N 2 1 288.435 2.281 20 0 CEADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H](O)C(F)(F)F ZINC000631232782 352029298 /nfs/dbraw/zinc/02/92/98/352029298.db2.gz VOJDNQDITRKOFR-RNJOBUHISA-N 2 1 294.361 2.151 20 0 CEADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](O)C(F)(F)F ZINC000631232782 352029301 /nfs/dbraw/zinc/02/93/01/352029301.db2.gz VOJDNQDITRKOFR-RNJOBUHISA-N 2 1 294.361 2.151 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000291995696 198129239 /nfs/dbraw/zinc/12/92/39/198129239.db2.gz AKEKLQILKNATLX-KBPBESRZSA-N 2 1 291.439 2.379 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000071297815 363109763 /nfs/dbraw/zinc/10/97/63/363109763.db2.gz KTIWMGZDCSJPFL-CQSZACIVSA-N 2 1 270.417 2.313 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000072858008 363171411 /nfs/dbraw/zinc/17/14/11/363171411.db2.gz YSIFPBFPIRPGGP-CQSZACIVSA-N 2 1 299.418 2.302 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000072858008 363171412 /nfs/dbraw/zinc/17/14/12/363171412.db2.gz YSIFPBFPIRPGGP-CQSZACIVSA-N 2 1 299.418 2.302 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000072858008 363171414 /nfs/dbraw/zinc/17/14/14/363171414.db2.gz YSIFPBFPIRPGGP-CQSZACIVSA-N 2 1 299.418 2.302 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000072858008 363171415 /nfs/dbraw/zinc/17/14/15/363171415.db2.gz YSIFPBFPIRPGGP-CQSZACIVSA-N 2 1 299.418 2.302 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](O)c1cccc(F)c1 ZINC000271542986 191202827 /nfs/dbraw/zinc/20/28/27/191202827.db2.gz UQEMWUVZPNDDNJ-NOXHYTERSA-N 2 1 280.387 2.320 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](O)c1cccc(F)c1 ZINC000271542986 191202830 /nfs/dbraw/zinc/20/28/30/191202830.db2.gz UQEMWUVZPNDDNJ-NOXHYTERSA-N 2 1 280.387 2.320 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000252697879 539894157 /nfs/dbraw/zinc/89/41/57/539894157.db2.gz JYRARIUKTPZUQK-HUUCEWRRSA-N 2 1 274.408 2.484 20 0 CEADMP C[C@H](c1cccnc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000271616913 191241353 /nfs/dbraw/zinc/24/13/53/191241353.db2.gz DFIVBTYIYPLSCA-OAHLLOKOSA-N 2 1 290.455 2.100 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000292147846 198180894 /nfs/dbraw/zinc/18/08/94/198180894.db2.gz NDVQZXDRLOGNPQ-SFHVURJKSA-N 2 1 296.418 2.400 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000292147846 198180896 /nfs/dbraw/zinc/18/08/96/198180896.db2.gz NDVQZXDRLOGNPQ-SFHVURJKSA-N 2 1 296.418 2.400 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000292147846 198180904 /nfs/dbraw/zinc/18/09/04/198180904.db2.gz NDVQZXDRLOGNPQ-SFHVURJKSA-N 3 1 296.418 2.400 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000152286530 188007236 /nfs/dbraw/zinc/00/72/36/188007236.db2.gz MQPJKHCFFMPWIO-HRCADAONSA-N 2 1 273.424 2.338 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3)C2)CC[N@H+]1C ZINC000152286530 188007237 /nfs/dbraw/zinc/00/72/37/188007237.db2.gz MQPJKHCFFMPWIO-HRCADAONSA-N 2 1 273.424 2.338 20 0 CEADMP CN(C[C@H](O)c1ccc(F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152503043 188024351 /nfs/dbraw/zinc/02/43/51/188024351.db2.gz IGOSPUJEXSGEGB-CJNGLKHVSA-N 2 1 280.387 2.133 20 0 CEADMP C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152503043 188024352 /nfs/dbraw/zinc/02/43/52/188024352.db2.gz IGOSPUJEXSGEGB-CJNGLKHVSA-N 2 1 280.387 2.133 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152503043 188024354 /nfs/dbraw/zinc/02/43/54/188024354.db2.gz IGOSPUJEXSGEGB-CJNGLKHVSA-N 2 1 280.387 2.133 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000153751166 188100643 /nfs/dbraw/zinc/10/06/43/188100643.db2.gz OMRKLBPYNSRTLH-RHSMWYFYSA-N 2 1 276.424 2.478 20 0 CEADMP C[C@@H]1C[C@@H](Nc2cnn(-c3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000679128564 539978074 /nfs/dbraw/zinc/97/80/74/539978074.db2.gz WGTXVACTQZHMMM-OLZOCXBDSA-N 2 1 271.368 2.162 20 0 CEADMP COc1cccc(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000154958826 188173175 /nfs/dbraw/zinc/17/31/75/188173175.db2.gz DMICPNKLIZQNKW-CABCVRRESA-N 2 1 292.423 2.489 20 0 CEADMP COc1cccc(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000154958826 188173176 /nfs/dbraw/zinc/17/31/76/188173176.db2.gz DMICPNKLIZQNKW-CABCVRRESA-N 2 1 292.423 2.489 20 0 CEADMP COc1cccc(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000154958826 188173177 /nfs/dbraw/zinc/17/31/77/188173177.db2.gz DMICPNKLIZQNKW-CABCVRRESA-N 2 1 292.423 2.489 20 0 CEADMP COc1cccc(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000154958826 188173179 /nfs/dbraw/zinc/17/31/79/188173179.db2.gz DMICPNKLIZQNKW-CABCVRRESA-N 2 1 292.423 2.489 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(O)c3)CC[C@@H]21 ZINC000156094824 188242365 /nfs/dbraw/zinc/24/23/65/188242365.db2.gz TVUBQAKTWMDRJZ-HOCLYGCPSA-N 2 1 260.381 2.308 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(O)c3)CC[C@@H]21 ZINC000156094824 188242366 /nfs/dbraw/zinc/24/23/66/188242366.db2.gz TVUBQAKTWMDRJZ-HOCLYGCPSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(O)c3)CC[C@@H]21 ZINC000156094824 188242367 /nfs/dbraw/zinc/24/23/67/188242367.db2.gz TVUBQAKTWMDRJZ-HOCLYGCPSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(O)c3)CC[C@@H]21 ZINC000156094824 188242369 /nfs/dbraw/zinc/24/23/69/188242369.db2.gz TVUBQAKTWMDRJZ-HOCLYGCPSA-N 2 1 260.381 2.308 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1O ZINC000252419001 540003065 /nfs/dbraw/zinc/00/30/65/540003065.db2.gz XRZLJLCQWRRDPF-HUUCEWRRSA-N 2 1 290.407 2.365 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1O ZINC000252419001 540003067 /nfs/dbraw/zinc/00/30/67/540003067.db2.gz XRZLJLCQWRRDPF-HUUCEWRRSA-N 2 1 290.407 2.365 20 0 CEADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccccn2)CC1 ZINC000158627070 188386607 /nfs/dbraw/zinc/38/66/07/188386607.db2.gz MZVUAEWYLZGODZ-MRXNPFEDSA-N 2 1 290.455 2.150 20 0 CEADMP FC(F)O[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337563378 366163874 /nfs/dbraw/zinc/16/38/74/366163874.db2.gz WTWWIOPTKREZJF-ZDEQEGDKSA-N 2 1 274.355 2.363 20 0 CEADMP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](CC)CC ZINC000356329756 370662087 /nfs/dbraw/zinc/66/20/87/370662087.db2.gz BAWFVNYEIABNHG-RRFJBIMHSA-N 2 1 283.460 2.048 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000495376624 291034802 /nfs/dbraw/zinc/03/48/02/291034802.db2.gz FXJAHUBVMXAXAM-MQYQWHSLSA-N 2 1 299.459 2.218 20 0 CEADMP CO[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1C ZINC000451579390 283040265 /nfs/dbraw/zinc/04/02/65/283040265.db2.gz YOTGDWIJXMUVPF-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000495459773 291039726 /nfs/dbraw/zinc/03/97/26/291039726.db2.gz UZXQPISHTKDUHW-BFHYXJOUSA-N 2 1 299.459 2.220 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000162083637 540147266 /nfs/dbraw/zinc/14/72/66/540147266.db2.gz QGNMZOOZVLEEJH-IHRRRGAJSA-N 2 1 260.381 2.222 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(O)CCCCC2)[C@H]2CCC[C@@H]21 ZINC000367519760 283134144 /nfs/dbraw/zinc/13/41/44/283134144.db2.gz QPKMEVSABDQPTR-ILXRZTDVSA-N 2 1 266.429 2.144 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cn1 ZINC000451893648 283136421 /nfs/dbraw/zinc/13/64/21/283136421.db2.gz XZORGSFMGWEPEB-TZMCWYRMSA-N 2 1 250.390 2.038 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cn1 ZINC000451893648 283136425 /nfs/dbraw/zinc/13/64/25/283136425.db2.gz XZORGSFMGWEPEB-TZMCWYRMSA-N 2 1 250.390 2.038 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccccc1C ZINC000576766452 314309216 /nfs/dbraw/zinc/30/92/16/314309216.db2.gz RNDZPYSYYORIJX-CQSZACIVSA-N 2 1 264.413 2.132 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccccc1C ZINC000576766452 314309218 /nfs/dbraw/zinc/30/92/18/314309218.db2.gz RNDZPYSYYORIJX-CQSZACIVSA-N 2 1 264.413 2.132 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C1CCCCC1 ZINC000385204765 540225379 /nfs/dbraw/zinc/22/53/79/540225379.db2.gz VQOFUUNHBSJEBV-LSDHHAIUSA-N 2 1 256.434 2.248 20 0 CEADMP Cn1cnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000414122546 540236543 /nfs/dbraw/zinc/23/65/43/540236543.db2.gz IULNXOWATLIFBK-AEFFLSMTSA-N 2 1 298.434 2.388 20 0 CEADMP Cn1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000414122546 540236547 /nfs/dbraw/zinc/23/65/47/540236547.db2.gz IULNXOWATLIFBK-AEFFLSMTSA-N 2 1 298.434 2.388 20 0 CEADMP [NH3+]CCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000414760300 540245848 /nfs/dbraw/zinc/24/58/48/540245848.db2.gz YCGFTRACJALRHM-UHFFFAOYSA-N 3 1 287.451 2.323 20 0 CEADMP CCCCC[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338275480 366264309 /nfs/dbraw/zinc/26/43/09/366264309.db2.gz IVZJDSGBFFWZIR-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCCCC[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338275480 366264315 /nfs/dbraw/zinc/26/43/15/366264315.db2.gz IVZJDSGBFFWZIR-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@]1(C)CCCO ZINC000338279792 366269158 /nfs/dbraw/zinc/26/91/58/366269158.db2.gz GGKPXBALVYZDQH-HNNXBMFYSA-N 2 1 256.434 2.345 20 0 CEADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CCC(C)(C)CC1 ZINC000338284810 366273957 /nfs/dbraw/zinc/27/39/57/366273957.db2.gz JLTQQFJANQXCQR-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CCC(C)(C)CC1 ZINC000338284810 366273966 /nfs/dbraw/zinc/27/39/66/366273966.db2.gz JLTQQFJANQXCQR-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCC[C@H]1C ZINC000386160517 540248343 /nfs/dbraw/zinc/24/83/43/540248343.db2.gz QMDDHZDYOHRZBW-ILXRZTDVSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000386160517 540248344 /nfs/dbraw/zinc/24/83/44/540248344.db2.gz QMDDHZDYOHRZBW-ILXRZTDVSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000386160517 540248346 /nfs/dbraw/zinc/24/83/46/540248346.db2.gz QMDDHZDYOHRZBW-ILXRZTDVSA-N 2 1 256.434 2.198 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2scnc2C2CC2)CC[NH2+]1 ZINC000414947304 540248368 /nfs/dbraw/zinc/24/83/68/540248368.db2.gz KPRBCMHCYVQCSW-MWLCHTKSSA-N 2 1 251.399 2.251 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2scnc2C2CC2)CC[NH2+]1 ZINC000414947305 540248458 /nfs/dbraw/zinc/24/84/58/540248458.db2.gz KPRBCMHCYVQCSW-ONGXEEELSA-N 2 1 251.399 2.251 20 0 CEADMP CCC[C@]1(C)CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338313507 366289303 /nfs/dbraw/zinc/28/93/03/366289303.db2.gz KRKPSQFSPZZVRZ-QGZVFWFLSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[C@]1(C)CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338313507 366289309 /nfs/dbraw/zinc/28/93/09/366289309.db2.gz KRKPSQFSPZZVRZ-QGZVFWFLSA-N 2 1 295.471 2.053 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1CCOCC1 ZINC000075859893 363494620 /nfs/dbraw/zinc/49/46/20/363494620.db2.gz VSEMLIYJOHJFMF-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1CCOCC1 ZINC000075859893 363494625 /nfs/dbraw/zinc/49/46/25/363494625.db2.gz VSEMLIYJOHJFMF-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1CCOCC1 ZINC000075859893 363494627 /nfs/dbraw/zinc/49/46/27/363494627.db2.gz VSEMLIYJOHJFMF-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452116081 283192923 /nfs/dbraw/zinc/19/29/23/283192923.db2.gz LNVNQLRVGLGPIK-CABCVRRESA-N 2 1 277.412 2.329 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452116081 283192925 /nfs/dbraw/zinc/19/29/25/283192925.db2.gz LNVNQLRVGLGPIK-CABCVRRESA-N 2 1 277.412 2.329 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452174829 283214533 /nfs/dbraw/zinc/21/45/33/283214533.db2.gz RESBFNPCZHBLEO-KGLIPLIRSA-N 2 1 295.471 2.096 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000575755344 366357133 /nfs/dbraw/zinc/35/71/33/366357133.db2.gz KWALHMOWDUNNIP-ZJIFWQFVSA-N 2 1 266.429 2.002 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOc1ccccc1)C2 ZINC000394013199 538755473 /nfs/dbraw/zinc/75/54/73/538755473.db2.gz CGWWTPRVBGCTAH-HOCLYGCPSA-N 2 1 260.381 2.126 20 0 CEADMP CCCN(CC[C@@H]1CCC[N@H+]1C)CC[NH+]1CCCC1 ZINC000352888190 283266983 /nfs/dbraw/zinc/26/69/83/283266983.db2.gz NCAXMVSAFPNPLP-INIZCTEOSA-N 2 1 267.461 2.279 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCC(C(F)(F)F)CC1 ZINC000433128215 538896048 /nfs/dbraw/zinc/89/60/48/538896048.db2.gz WGVGDRUVYPHOCN-IKWCTNDRSA-N 2 1 296.377 2.256 20 0 CEADMP CC(C)[C@H]1CC[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000353585547 540317176 /nfs/dbraw/zinc/31/71/76/540317176.db2.gz UHYUQQZUEVTPDL-HUUCEWRRSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OC)c2F)C1 ZINC000165806683 540325829 /nfs/dbraw/zinc/32/58/29/540325829.db2.gz CXSSKHYCXQZZGZ-GFCCVEGCSA-N 2 1 266.360 2.266 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OC)c2F)C1 ZINC000165806683 540325832 /nfs/dbraw/zinc/32/58/32/540325832.db2.gz CXSSKHYCXQZZGZ-GFCCVEGCSA-N 2 1 266.360 2.266 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000570630416 299268720 /nfs/dbraw/zinc/26/87/20/299268720.db2.gz ICKSMUGKVHCGRJ-KURKYZTESA-N 2 1 290.451 2.300 20 0 CEADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]CCC2CCCCC2)C1 ZINC000361576364 283319380 /nfs/dbraw/zinc/31/93/80/283319380.db2.gz GHJMMOWSSCQNMS-MRXNPFEDSA-N 2 1 295.471 2.134 20 0 CEADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cn(-c2ccccc2)nn1 ZINC000570827077 299279517 /nfs/dbraw/zinc/27/95/17/299279517.db2.gz OKJTVTVHGCSPMD-IHRRRGAJSA-N 2 1 285.395 2.188 20 0 CEADMP Cc1ncc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)n1C ZINC000570828053 299280570 /nfs/dbraw/zinc/28/05/70/299280570.db2.gz UDRQMGBKANRBTJ-AWEZNQCLSA-N 2 1 278.444 2.473 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000570832008 299280691 /nfs/dbraw/zinc/28/06/91/299280691.db2.gz OKBFELIYFZSVQD-ZBFHGGJFSA-N 2 1 276.428 2.295 20 0 CEADMP CCC[NH2+][C@@H](C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000294930332 199256155 /nfs/dbraw/zinc/25/61/55/199256155.db2.gz BDOGACPJUYOAJZ-CABCVRRESA-N 2 1 291.439 2.011 20 0 CEADMP CCOC(=O)N1CCC([NH2+][C@H](C[NH3+])C2CCCCC2)CC1 ZINC000496614528 291155377 /nfs/dbraw/zinc/15/53/77/291155377.db2.gz BQPMYXOSKFHSSS-OAHLLOKOSA-N 2 1 297.443 2.105 20 0 CEADMP CC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000578271791 366469993 /nfs/dbraw/zinc/46/99/93/366469993.db2.gz GTXMGPCEOKWTRC-CVEARBPZSA-N 2 1 267.461 2.182 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)no1 ZINC000136092246 366494110 /nfs/dbraw/zinc/49/41/10/366494110.db2.gz SWJDNASWQPQBIO-BXUZGUMPSA-N 2 1 260.341 2.263 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)no1 ZINC000136092246 366494113 /nfs/dbraw/zinc/49/41/13/366494113.db2.gz SWJDNASWQPQBIO-BXUZGUMPSA-N 2 1 260.341 2.263 20 0 CEADMP CC[C@H]1CC[C@@H](C)[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000136185555 366501497 /nfs/dbraw/zinc/50/14/97/366501497.db2.gz PKHQWZCOURFBQP-ZJUUUORDSA-N 2 1 252.362 2.026 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC000136279033 366506758 /nfs/dbraw/zinc/50/67/58/366506758.db2.gz MMCFBJNRHGXPJZ-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1nccn1CCC[N@H+](C)CC(=O)N(C(C)C)C(C)C ZINC000136302814 366508207 /nfs/dbraw/zinc/50/82/07/366508207.db2.gz KRWMVHYJUHULCG-UHFFFAOYSA-N 2 1 294.443 2.159 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C(C)C)C(C)C ZINC000136302814 366508210 /nfs/dbraw/zinc/50/82/10/366508210.db2.gz KRWMVHYJUHULCG-UHFFFAOYSA-N 2 1 294.443 2.159 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C(C)C)C(C)C ZINC000136302814 366508213 /nfs/dbraw/zinc/50/82/13/366508213.db2.gz KRWMVHYJUHULCG-UHFFFAOYSA-N 2 1 294.443 2.159 20 0 CEADMP C[N@H+]1CCC[C@H]2CN(Cc3ccnn3CC3CC3)CC[C@@H]21 ZINC000667705530 540522657 /nfs/dbraw/zinc/52/26/57/540522657.db2.gz FWUYRWDTLYVZBI-RDJZCZTQSA-N 2 1 288.439 2.209 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000080476343 363663412 /nfs/dbraw/zinc/66/34/12/363663412.db2.gz KYKCGSZXEGCDCP-MRXNPFEDSA-N 2 1 297.487 2.486 20 0 CEADMP COCc1csc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000668188638 540581723 /nfs/dbraw/zinc/58/17/23/540581723.db2.gz KJWHKMGNRFFUNB-OAHLLOKOSA-N 2 1 280.437 2.422 20 0 CEADMP COCc1csc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000668188638 540581730 /nfs/dbraw/zinc/58/17/30/540581730.db2.gz KJWHKMGNRFFUNB-OAHLLOKOSA-N 2 1 280.437 2.422 20 0 CEADMP COCc1csc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000668188638 540581733 /nfs/dbraw/zinc/58/17/33/540581733.db2.gz KJWHKMGNRFFUNB-OAHLLOKOSA-N 2 1 280.437 2.422 20 0 CEADMP COCc1csc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000668188638 540581737 /nfs/dbraw/zinc/58/17/37/540581737.db2.gz KJWHKMGNRFFUNB-OAHLLOKOSA-N 2 1 280.437 2.422 20 0 CEADMP COCc1csc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000668188638 540581741 /nfs/dbraw/zinc/58/17/41/540581741.db2.gz KJWHKMGNRFFUNB-OAHLLOKOSA-N 2 1 280.437 2.422 20 0 CEADMP COC1([C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CCOCC1 ZINC000453084188 283468049 /nfs/dbraw/zinc/46/80/49/283468049.db2.gz NVJIRLUCOUSBCI-CVEARBPZSA-N 2 1 298.471 2.281 20 0 CEADMP CCOc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1O ZINC000297287498 200135727 /nfs/dbraw/zinc/13/57/27/200135727.db2.gz AFICDFPTAYUHFH-UHFFFAOYSA-N 2 1 276.380 2.142 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000297467378 200201306 /nfs/dbraw/zinc/20/13/06/200201306.db2.gz YJJMDCLCJIJIKH-KFZJALRRSA-N 2 1 294.414 2.047 20 0 CEADMP c1[nH+]cn2cc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc12 ZINC000297632897 200247778 /nfs/dbraw/zinc/24/77/78/200247778.db2.gz WSGDDYHIQFHIRF-LSDHHAIUSA-N 2 1 270.380 2.051 20 0 CEADMP CC[N@H+]1CCCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000297879900 200297915 /nfs/dbraw/zinc/29/79/15/200297915.db2.gz QGLQBQZRGXWBGD-SFHVURJKSA-N 2 1 287.451 2.289 20 0 CEADMP CC[NH+]1CCCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000297879900 200297916 /nfs/dbraw/zinc/29/79/16/200297916.db2.gz QGLQBQZRGXWBGD-SFHVURJKSA-N 2 1 287.451 2.289 20 0 CEADMP CC[NH+]1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000297879900 200297917 /nfs/dbraw/zinc/29/79/17/200297917.db2.gz QGLQBQZRGXWBGD-SFHVURJKSA-N 2 1 287.451 2.289 20 0 CEADMP c1cc(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccn1 ZINC000150813304 366598095 /nfs/dbraw/zinc/59/80/95/366598095.db2.gz HXZXRJHOJJDRMU-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C1CCCCC1 ZINC000579340393 366629057 /nfs/dbraw/zinc/62/90/57/366629057.db2.gz DWDZEBISCSYQGR-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1[nH]nc2ncc(CN3CCC[C@H]4C[N@@H+](C)CC[C@H]43)cc12 ZINC000579647339 366676246 /nfs/dbraw/zinc/67/62/46/366676246.db2.gz KVWJJDCESVTYSL-GOEBONIOSA-N 2 1 299.422 2.182 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C1(c2nccs2)CCCC1 ZINC000298252876 200372360 /nfs/dbraw/zinc/37/23/60/200372360.db2.gz DQGFYHPDMKFOCI-UHFFFAOYSA-N 2 1 276.409 2.478 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OC)c2C)C1 ZINC000342058433 216204160 /nfs/dbraw/zinc/20/41/60/216204160.db2.gz IMHSMTNMHBMTDH-AWEZNQCLSA-N 2 1 292.423 2.444 20 0 CEADMP COCC[N@H+](C)CCCNc1[nH+]ccc2ccc(C)cc21 ZINC000571636831 299319361 /nfs/dbraw/zinc/31/93/61/299319361.db2.gz QRXOVGYOGBGECH-UHFFFAOYSA-N 2 1 287.407 2.345 20 0 CEADMP COCC[N@@H+](C)CCCNc1[nH+]ccc2ccc(C)cc21 ZINC000571636831 299319365 /nfs/dbraw/zinc/31/93/65/299319365.db2.gz QRXOVGYOGBGECH-UHFFFAOYSA-N 2 1 287.407 2.345 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000342316380 216307550 /nfs/dbraw/zinc/30/75/50/216307550.db2.gz BXXYTFWNMOFMTO-CQSZACIVSA-N 2 1 275.400 2.302 20 0 CEADMP CSCC[NH+](C)[C@@H](C)CC[N@H+](C)CCSC ZINC000153687906 366736176 /nfs/dbraw/zinc/73/61/76/366736176.db2.gz NLYBUVIZNPKIOO-LBPRGKRZSA-N 2 1 264.504 2.355 20 0 CEADMP CSCC[NH+](C)CC[C@H](C)[N@H+](C)CCSC ZINC000153687906 366736178 /nfs/dbraw/zinc/73/61/78/366736178.db2.gz NLYBUVIZNPKIOO-LBPRGKRZSA-N 2 1 264.504 2.355 20 0 CEADMP CSCC[NH+](C)CC[C@H](C)[N@@H+](C)CCSC ZINC000153687906 366736180 /nfs/dbraw/zinc/73/61/80/366736180.db2.gz NLYBUVIZNPKIOO-LBPRGKRZSA-N 2 1 264.504 2.355 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638674525 370678613 /nfs/dbraw/zinc/67/86/13/370678613.db2.gz MAZSOUDHVLILRC-ZFWWWQNUSA-N 2 1 292.427 2.009 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCC[NH2+]C)C1 ZINC000237037346 370681691 /nfs/dbraw/zinc/68/16/91/370681691.db2.gz UWUMHXAMYLWSKZ-AWEZNQCLSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@@H](Cc1cnccn1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000638700357 370694985 /nfs/dbraw/zinc/69/49/85/370694985.db2.gz GGZQRGBWEDWVDZ-WYQXTGKHSA-N 2 1 274.412 2.013 20 0 CEADMP C[C@@H](Cc1cnccn1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000638700357 370694989 /nfs/dbraw/zinc/69/49/89/370694989.db2.gz GGZQRGBWEDWVDZ-WYQXTGKHSA-N 2 1 274.412 2.013 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(C[NH3+])cc1 ZINC000237078967 370687829 /nfs/dbraw/zinc/68/78/29/370687829.db2.gz NMAOGYRXHBMRLT-INIZCTEOSA-N 2 1 289.423 2.092 20 0 CEADMP Cc1cc(F)ccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182290386 189318955 /nfs/dbraw/zinc/31/89/55/189318955.db2.gz ZRUXNXLRJLUGDW-UHFFFAOYSA-N 2 1 293.430 2.203 20 0 CEADMP CCCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1 ZINC000154374624 366771041 /nfs/dbraw/zinc/77/10/41/366771041.db2.gz IYHXCMGHZFPQGH-HOTGVXAUSA-N 2 1 264.413 2.430 20 0 CEADMP COC(C)(C)[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000340205316 366803356 /nfs/dbraw/zinc/80/33/56/366803356.db2.gz GVBSAQVPJYDZPF-ZNMIVQPWSA-N 2 1 286.460 2.279 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2ccc(O)cc2CC1 ZINC000678079557 541078201 /nfs/dbraw/zinc/07/82/01/541078201.db2.gz REPQPAACKCTPMH-MRXNPFEDSA-N 2 1 274.408 2.277 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000678079557 541078204 /nfs/dbraw/zinc/07/82/04/541078204.db2.gz REPQPAACKCTPMH-MRXNPFEDSA-N 2 1 274.408 2.277 20 0 CEADMP C[C@H](C[NH2+]Cc1cc(O)cc(F)c1)C[NH+]1CCCC1 ZINC000184142506 189377400 /nfs/dbraw/zinc/37/74/00/189377400.db2.gz OJXZKFBUIHIWKI-GFCCVEGCSA-N 2 1 266.360 2.353 20 0 CEADMP COc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1O ZINC000019905698 361565754 /nfs/dbraw/zinc/56/57/54/361565754.db2.gz KKVSZBVCGVUUOB-UHFFFAOYSA-N 2 1 266.385 2.078 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2-n2cncn2)CC[N@@H+]1C ZINC000678278107 541110303 /nfs/dbraw/zinc/11/03/03/541110303.db2.gz MNBMWSKTVJWSKN-GOEBONIOSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2-n2cncn2)CC[N@H+]1C ZINC000678278107 541110307 /nfs/dbraw/zinc/11/03/07/541110307.db2.gz MNBMWSKTVJWSKN-GOEBONIOSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2-n2cncn2)CC[NH+]1C ZINC000678278107 541110309 /nfs/dbraw/zinc/11/03/09/541110309.db2.gz MNBMWSKTVJWSKN-GOEBONIOSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2-n2cncn2)CC[NH+]1C ZINC000678278107 541110314 /nfs/dbraw/zinc/11/03/14/541110314.db2.gz MNBMWSKTVJWSKN-GOEBONIOSA-N 2 1 299.422 2.182 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c(C)n1 ZINC000678415129 541131065 /nfs/dbraw/zinc/13/10/65/541131065.db2.gz YMJZFLPOTSOYJY-CQSZACIVSA-N 2 1 291.439 2.196 20 0 CEADMP CC(C)n1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000085167804 363831813 /nfs/dbraw/zinc/83/18/13/363831813.db2.gz XMHZQHITHWKJQM-ZDUSSCGKSA-N 2 1 250.390 2.025 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cn(C)nc2C)CC1 ZINC000087407142 363852584 /nfs/dbraw/zinc/85/25/84/363852584.db2.gz YOPVIBVOROLQLS-LBPRGKRZSA-N 2 1 264.417 2.254 20 0 CEADMP CC(C)C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])N(C)C ZINC000089140648 363936680 /nfs/dbraw/zinc/93/66/80/363936680.db2.gz IFFBIKVGEXMCJK-KFWWJZLASA-N 2 1 255.450 2.070 20 0 CEADMP Cc1nc(C)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000088868370 363925394 /nfs/dbraw/zinc/92/53/94/363925394.db2.gz VGKBBWGTMVMYDY-FUNVUKJBSA-N 2 1 265.426 2.475 20 0 CEADMP Cc1nc(C)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000088868370 363925399 /nfs/dbraw/zinc/92/53/99/363925399.db2.gz VGKBBWGTMVMYDY-FUNVUKJBSA-N 2 1 265.426 2.475 20 0 CEADMP CC(C)n1cncc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000090207650 364049362 /nfs/dbraw/zinc/04/93/62/364049362.db2.gz VOHSJZLEHDCQDB-UHFFFAOYSA-N 2 1 264.417 2.430 20 0 CEADMP C[N@H+](Cc1cccc2c[nH]nc21)CC1CC[NH+](C)CC1 ZINC000093088877 364140196 /nfs/dbraw/zinc/14/01/96/364140196.db2.gz PLHJBAAFIKMQOF-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000092629485 364090540 /nfs/dbraw/zinc/09/05/40/364090540.db2.gz YDIOREXLZOYIQJ-HOTGVXAUSA-N 2 1 289.423 2.019 20 0 CEADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237639517 370741094 /nfs/dbraw/zinc/74/10/94/370741094.db2.gz DPYLUJIBCXTNTM-QWHCGFSZSA-N 2 1 299.378 2.032 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000334819570 364274184 /nfs/dbraw/zinc/27/41/84/364274184.db2.gz IWLAAFSIBYRPET-YOEHRIQHSA-N 2 1 273.424 2.386 20 0 CEADMP C[NH+](C)[C@@H](C(=O)N1CCCCC[C@H]([NH3+])C1)c1ccccc1 ZINC000638818927 370773466 /nfs/dbraw/zinc/77/34/66/370773466.db2.gz FXXMYRXTVOLKDJ-JKSUJKDBSA-N 2 1 289.423 2.019 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000094338854 364265870 /nfs/dbraw/zinc/26/58/70/364265870.db2.gz JPOKQVSAHVBQFF-BBRMVZONSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000094338854 364265876 /nfs/dbraw/zinc/26/58/76/364265876.db2.gz JPOKQVSAHVBQFF-BBRMVZONSA-N 2 1 270.380 2.041 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000094370888 364271531 /nfs/dbraw/zinc/27/15/31/364271531.db2.gz VBZRLSRICHXCDS-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP Nc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000334978809 364302297 /nfs/dbraw/zinc/30/22/97/364302297.db2.gz AJLZHAKFKZKBLQ-GJZGRUSLSA-N 2 1 259.397 2.090 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CC[S@](=O)C(C)(C)CC1 ZINC000335039450 364387805 /nfs/dbraw/zinc/38/78/05/364387805.db2.gz DRWKNJTYYVGBAU-KUHUBIRLSA-N 2 1 286.485 2.094 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CC1(O)CCC1 ZINC000581998205 366846843 /nfs/dbraw/zinc/84/68/43/366846843.db2.gz ZWUNEUAMSZUBJL-AWEZNQCLSA-N 2 1 254.418 2.146 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CC1(O)CCC1 ZINC000581998206 366846954 /nfs/dbraw/zinc/84/69/54/366846954.db2.gz ZWUNEUAMSZUBJL-CQSZACIVSA-N 2 1 254.418 2.146 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cncs3)C2)CC1 ZINC000335149159 364544093 /nfs/dbraw/zinc/54/40/93/364544093.db2.gz ILGJEOVGZJQKMD-ZDUSSCGKSA-N 2 1 265.426 2.307 20 0 CEADMP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H]1CCCC[C@@H]1O ZINC000582066336 366857550 /nfs/dbraw/zinc/85/75/50/366857550.db2.gz YGQXDLLXIKAPOH-PMPSAXMXSA-N 2 1 277.412 2.207 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000102423195 364594805 /nfs/dbraw/zinc/59/48/05/364594805.db2.gz DCHCCGMFHGFNIA-CQSZACIVSA-N 2 1 272.392 2.394 20 0 CEADMP C[C@@H](C(=O)NCC[NH+]1CCCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101639588 364568596 /nfs/dbraw/zinc/56/85/96/364568596.db2.gz IDGKOSAERDUJJP-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1ccc(NC(=O)CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000104097899 364677118 /nfs/dbraw/zinc/67/71/18/364677118.db2.gz GEJOKDWQNZNQHY-HNNXBMFYSA-N 2 1 289.423 2.207 20 0 CEADMP C[N@@H+](CCOc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000104095448 364677283 /nfs/dbraw/zinc/67/72/83/364677283.db2.gz QVIPRUNLIQQVQT-HNNXBMFYSA-N 2 1 262.397 2.339 20 0 CEADMP CCn1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)cn1 ZINC000112095702 364773161 /nfs/dbraw/zinc/77/31/61/364773161.db2.gz YZQYQDVSESBRAV-UHFFFAOYSA-N 2 1 264.417 2.115 20 0 CEADMP Oc1cc(F)cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335636044 212351268 /nfs/dbraw/zinc/35/12/68/212351268.db2.gz UKSZHIALEAKCNI-KBPBESRZSA-N 2 1 278.371 2.353 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000335640323 364817319 /nfs/dbraw/zinc/81/73/19/364817319.db2.gz YFUNUYQIUHTELO-ZFWWWQNUSA-N 2 1 266.429 2.313 20 0 CEADMP Cc1ncccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335631348 212345496 /nfs/dbraw/zinc/34/54/96/212345496.db2.gz BBHOWYBGSONEKY-GDBMZVCRSA-N 2 1 259.397 2.212 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000113513478 364901757 /nfs/dbraw/zinc/90/17/57/364901757.db2.gz YTYLSGXJNIYQLF-OAHLLOKOSA-N 2 1 275.396 2.029 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000113513478 364901763 /nfs/dbraw/zinc/90/17/63/364901763.db2.gz YTYLSGXJNIYQLF-OAHLLOKOSA-N 2 1 275.396 2.029 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000113514263 364903878 /nfs/dbraw/zinc/90/38/78/364903878.db2.gz XKFSDJUGOARXKK-ZDUSSCGKSA-N 2 1 266.360 2.088 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000113514263 364903887 /nfs/dbraw/zinc/90/38/87/364903887.db2.gz XKFSDJUGOARXKK-ZDUSSCGKSA-N 2 1 266.360 2.088 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000335786524 364981760 /nfs/dbraw/zinc/98/17/60/364981760.db2.gz VBKLMBHMMSXKAI-XJKSGUPXSA-N 2 1 284.407 2.256 20 0 CEADMP COc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000275338525 193003933 /nfs/dbraw/zinc/00/39/33/193003933.db2.gz WPACZQFKLGSRKN-DZGCQCFKSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000275338525 193003934 /nfs/dbraw/zinc/00/39/34/193003934.db2.gz WPACZQFKLGSRKN-DZGCQCFKSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000275338525 193003936 /nfs/dbraw/zinc/00/39/36/193003936.db2.gz WPACZQFKLGSRKN-DZGCQCFKSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000275338525 193003937 /nfs/dbraw/zinc/00/39/37/193003937.db2.gz WPACZQFKLGSRKN-DZGCQCFKSA-N 2 1 262.397 2.467 20 0 CEADMP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638836552 370786321 /nfs/dbraw/zinc/78/63/21/370786321.db2.gz ICUIPHRQQJEJSX-AWEZNQCLSA-N 2 1 291.439 2.276 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000356931524 370801243 /nfs/dbraw/zinc/80/12/43/370801243.db2.gz YCFQUJCKMFKDLS-WMLDXEAASA-N 3 1 275.440 2.178 20 0 CEADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000356931524 370801247 /nfs/dbraw/zinc/80/12/47/370801247.db2.gz YCFQUJCKMFKDLS-WMLDXEAASA-N 2 1 275.440 2.178 20 0 CEADMP C[C@@H](Cc1ccsc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000582277366 366887629 /nfs/dbraw/zinc/88/76/29/366887629.db2.gz SXNAEQUZIYSQMF-FPMFFAJLSA-N 2 1 250.411 2.173 20 0 CEADMP C[C@H]1C[C@H](C[NH2+]Cc2cncn2C)C[N@@H+]1Cc1ccccc1 ZINC000120289463 365401958 /nfs/dbraw/zinc/40/19/58/365401958.db2.gz ANRIRDRSCYNSRW-DOTOQJQBSA-N 2 1 298.434 2.420 20 0 CEADMP C[C@H]1C[C@H](C[NH2+]Cc2cncn2C)C[N@H+]1Cc1ccccc1 ZINC000120289463 365401968 /nfs/dbraw/zinc/40/19/68/365401968.db2.gz ANRIRDRSCYNSRW-DOTOQJQBSA-N 2 1 298.434 2.420 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(Cc3cnn(C(C)(C)C)c3)C2)C1 ZINC000336113234 365425121 /nfs/dbraw/zinc/42/51/21/365425121.db2.gz PYMZGDPRHFWAKQ-INIZCTEOSA-N 2 1 276.428 2.166 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@]1(C)CCCO1 ZINC000340509035 366913279 /nfs/dbraw/zinc/91/32/79/366913279.db2.gz JQYFVJAZLGMSSX-PMPSAXMXSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@]1(C)CCCO1 ZINC000340509035 366913282 /nfs/dbraw/zinc/91/32/82/366913282.db2.gz JQYFVJAZLGMSSX-PMPSAXMXSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)[C@H]1C ZINC000582601699 366932255 /nfs/dbraw/zinc/93/22/55/366932255.db2.gz TXEOCYINCVSAMI-CTASWTNQSA-N 2 1 268.445 2.103 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)[C@H]1C ZINC000582601699 366932263 /nfs/dbraw/zinc/93/22/63/366932263.db2.gz TXEOCYINCVSAMI-CTASWTNQSA-N 2 1 268.445 2.103 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccccc1 ZINC000582763719 366955277 /nfs/dbraw/zinc/95/52/77/366955277.db2.gz ZEYPPZZKWABKTO-JKSUJKDBSA-N 2 1 262.397 2.136 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccccc1 ZINC000582763719 366955281 /nfs/dbraw/zinc/95/52/81/366955281.db2.gz ZEYPPZZKWABKTO-JKSUJKDBSA-N 2 1 262.397 2.136 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000582763719 366955285 /nfs/dbraw/zinc/95/52/85/366955285.db2.gz ZEYPPZZKWABKTO-JKSUJKDBSA-N 2 1 262.397 2.136 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000582763719 366955288 /nfs/dbraw/zinc/95/52/88/366955288.db2.gz ZEYPPZZKWABKTO-JKSUJKDBSA-N 2 1 262.397 2.136 20 0 CEADMP C[N@H+](CCOc1cccc(Cl)c1)[C@@H](CN)C1CC1 ZINC000160039737 366967442 /nfs/dbraw/zinc/96/74/42/366967442.db2.gz RRNFWICNCFJZPN-AWEZNQCLSA-N 2 1 268.788 2.388 20 0 CEADMP C[N@@H+](CCOc1cccc(Cl)c1)[C@@H](CN)C1CC1 ZINC000160039737 366967448 /nfs/dbraw/zinc/96/74/48/366967448.db2.gz RRNFWICNCFJZPN-AWEZNQCLSA-N 2 1 268.788 2.388 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000582972437 366985462 /nfs/dbraw/zinc/98/54/62/366985462.db2.gz JJRPBTDPQPAPSF-SZMVWBNQSA-N 2 1 290.451 2.485 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000582972437 366985467 /nfs/dbraw/zinc/98/54/67/366985467.db2.gz JJRPBTDPQPAPSF-SZMVWBNQSA-N 2 1 290.451 2.485 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000582972437 366985470 /nfs/dbraw/zinc/98/54/70/366985470.db2.gz JJRPBTDPQPAPSF-SZMVWBNQSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cncnc1C ZINC000583214929 367018009 /nfs/dbraw/zinc/01/80/09/367018009.db2.gz WBXTZTAOXVUQDE-NEPJUHHUSA-N 2 1 273.384 2.277 20 0 CEADMP c1cnn(-c2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)cc2)c1 ZINC000335561686 212269657 /nfs/dbraw/zinc/26/96/57/212269657.db2.gz PAQVLZKDJLPATC-UHFFFAOYSA-N 2 1 282.391 2.200 20 0 CEADMP CC(C)c1nc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)no1 ZINC000583928932 367116104 /nfs/dbraw/zinc/11/61/04/367116104.db2.gz FFJICRGOYFRYKQ-GFCCVEGCSA-N 2 1 278.400 2.157 20 0 CEADMP CC(C)c1nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)no1 ZINC000583928932 367116108 /nfs/dbraw/zinc/11/61/08/367116108.db2.gz FFJICRGOYFRYKQ-GFCCVEGCSA-N 2 1 278.400 2.157 20 0 CEADMP C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000583993159 367126105 /nfs/dbraw/zinc/12/61/05/367126105.db2.gz BEEMBCNLLHKMFD-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP COCC[N@@H+](CCn1ccnc1)Cc1ccccc1 ZINC000162224832 367146576 /nfs/dbraw/zinc/14/65/76/367146576.db2.gz CTZFSSGQQPFHBJ-UHFFFAOYSA-N 2 1 259.353 2.032 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2)c2ccccc21 ZINC000584345180 367147804 /nfs/dbraw/zinc/14/78/04/367147804.db2.gz NOUNCUKLHOTWPM-XWIAVFTESA-N 2 1 298.386 2.161 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341060447 367152351 /nfs/dbraw/zinc/15/23/51/367152351.db2.gz NTVASELHUXACAR-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000162963439 367207390 /nfs/dbraw/zinc/20/73/90/367207390.db2.gz WYILQOHCILTOBZ-DOMZBBRYSA-N 2 1 250.361 2.298 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000341247832 367244087 /nfs/dbraw/zinc/24/40/87/367244087.db2.gz UKYPYCUPWWCSAI-KCQAQPDRSA-N 2 1 277.412 2.094 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000341247832 367244092 /nfs/dbraw/zinc/24/40/92/367244092.db2.gz UKYPYCUPWWCSAI-KCQAQPDRSA-N 2 1 277.412 2.094 20 0 CEADMP CC(C)[NH2+]CCC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000165110633 367304127 /nfs/dbraw/zinc/30/41/27/367304127.db2.gz SHWOHUKUTOPSJS-HNNXBMFYSA-N 2 1 283.460 2.145 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC000342135981 367385985 /nfs/dbraw/zinc/38/59/85/367385985.db2.gz UWNJEERQWFQDGP-DOTOQJQBSA-N 2 1 296.455 2.384 20 0 CEADMP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000631566118 367406965 /nfs/dbraw/zinc/40/69/65/367406965.db2.gz LJOUVJNGBAWSDW-BVUBDWEXSA-N 2 1 276.424 2.018 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631576948 367412778 /nfs/dbraw/zinc/41/27/78/367412778.db2.gz DUVVHLBUAHPEFT-AJNGGQMLSA-N 2 1 266.429 2.264 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000631579024 367415890 /nfs/dbraw/zinc/41/58/90/367415890.db2.gz CTZXYVVAOHAFTD-HZPDHXFCSA-N 2 1 266.429 2.408 20 0 CEADMP CCc1nc(NC2CCC(C[NH+](C)C)CC2)cc(C)[nH+]1 ZINC000342781182 367532191 /nfs/dbraw/zinc/53/21/91/367532191.db2.gz MXIYBMVHKKRNBV-UHFFFAOYSA-N 2 1 276.428 2.302 20 0 CEADMP C[C@@H]1C[N@H+](CCc2cccc3c2OC(F)(F)O3)CC[C@@H]1[NH3+] ZINC000631821546 367559335 /nfs/dbraw/zinc/55/93/35/367559335.db2.gz AYHBAVHICZZGDP-PWSUYJOCSA-N 2 1 298.333 2.220 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2cccc3c2OC(F)(F)O3)CC[C@@H]1[NH3+] ZINC000631821546 367559336 /nfs/dbraw/zinc/55/93/36/367559336.db2.gz AYHBAVHICZZGDP-PWSUYJOCSA-N 2 1 298.333 2.220 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000631821665 367559884 /nfs/dbraw/zinc/55/98/84/367559884.db2.gz FQBNIJOUGFSVKP-KBPBESRZSA-N 2 1 274.408 2.319 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000631753201 367524633 /nfs/dbraw/zinc/52/46/33/367524633.db2.gz GVXYLSFHGFEXCE-YNEHKIRRSA-N 2 1 292.345 2.170 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1C[NH3+] ZINC000631838444 367579151 /nfs/dbraw/zinc/57/91/51/367579151.db2.gz OGVOTMLYELTKAJ-UKRRQHHQSA-N 2 1 254.418 2.110 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1cccc(O)c1)CC[NH2+]CC2 ZINC000335542378 212241325 /nfs/dbraw/zinc/24/13/25/212241325.db2.gz BZTLBPKULBPANS-ZDUSSCGKSA-N 2 1 260.381 2.356 20 0 CEADMP Fc1ccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631888194 367609227 /nfs/dbraw/zinc/60/92/27/367609227.db2.gz XCSADCMEVHMTJC-BBRMVZONSA-N 2 1 278.371 2.278 20 0 CEADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)c2)c1 ZINC000631891063 367612314 /nfs/dbraw/zinc/61/23/14/367612314.db2.gz VRMBGBOXFUXLER-FUHWJXTLSA-N 2 1 296.418 2.446 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccncc2C)C1 ZINC000572515267 299376147 /nfs/dbraw/zinc/37/61/47/299376147.db2.gz VCGHORMINXDFAH-HNNXBMFYSA-N 2 1 261.413 2.206 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccncc2C)C1 ZINC000572515267 299376151 /nfs/dbraw/zinc/37/61/51/299376151.db2.gz VCGHORMINXDFAH-HNNXBMFYSA-N 2 1 261.413 2.206 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccncc2C)C1 ZINC000572515267 299376154 /nfs/dbraw/zinc/37/61/54/299376154.db2.gz VCGHORMINXDFAH-HNNXBMFYSA-N 2 1 261.413 2.206 20 0 CEADMP Cc1ncc([C@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)c(C)n1 ZINC000682070824 541626994 /nfs/dbraw/zinc/62/69/94/541626994.db2.gz AXROTDWBXQZKLQ-ZDUSSCGKSA-N 2 1 276.428 2.428 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2ccccc2)C1 ZINC000172197942 367697074 /nfs/dbraw/zinc/69/70/74/367697074.db2.gz OEFXQSBOOSGFHD-HNNXBMFYSA-N 2 1 262.397 2.339 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000245876145 370881760 /nfs/dbraw/zinc/88/17/60/370881760.db2.gz KFUBVWQCGHWZGM-MIGQKNRLSA-N 2 1 289.423 2.375 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)CC2CCCC2)CC[N@H+]1C ZINC000343597497 367906015 /nfs/dbraw/zinc/90/60/15/367906015.db2.gz KUNAUFAIVUNRNL-VNQPRFMTSA-N 2 1 268.445 2.248 20 0 CEADMP c1[nH]nc2c1cccc2C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000343615823 367917640 /nfs/dbraw/zinc/91/76/40/367917640.db2.gz KYRXYZSQCXCZLI-LSDHHAIUSA-N 2 1 270.380 2.279 20 0 CEADMP CN(CCc1cccnc1)CC[C@H]1CCCC[N@H+]1C ZINC000173637334 367928882 /nfs/dbraw/zinc/92/88/82/367928882.db2.gz SXTSECWIIDNZCW-MRXNPFEDSA-N 2 1 261.413 2.430 20 0 CEADMP C[N@@H+](CCc1cccnc1)CC[C@H]1CCCC[NH+]1C ZINC000173637334 367928895 /nfs/dbraw/zinc/92/88/95/367928895.db2.gz SXTSECWIIDNZCW-MRXNPFEDSA-N 2 1 261.413 2.430 20 0 CEADMP C[N@H+](CCc1cccnc1)CC[C@H]1CCCC[NH+]1C ZINC000173637334 367928900 /nfs/dbraw/zinc/92/89/00/367928900.db2.gz SXTSECWIIDNZCW-MRXNPFEDSA-N 2 1 261.413 2.430 20 0 CEADMP CC1CC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000343864952 368046085 /nfs/dbraw/zinc/04/60/85/368046085.db2.gz RHZWGCNQEJRWOH-PREGVCBESA-N 2 1 274.408 2.012 20 0 CEADMP CC1CC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000343864952 368046094 /nfs/dbraw/zinc/04/60/94/368046094.db2.gz RHZWGCNQEJRWOH-PREGVCBESA-N 2 1 274.408 2.012 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000343882820 368057000 /nfs/dbraw/zinc/05/70/00/368057000.db2.gz QWDYOYLZGATVKF-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccc(N2CCC([NH2+]Cc3cnc(C)nc3)CC2)[nH+]c1 ZINC000344515952 368127941 /nfs/dbraw/zinc/12/79/41/368127941.db2.gz FBCJLDWKMIUYPZ-UHFFFAOYSA-N 2 1 297.406 2.247 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccncc2)C1 ZINC000174950211 368083246 /nfs/dbraw/zinc/08/32/46/368083246.db2.gz FVJOPJRLYKDGRA-INIZCTEOSA-N 2 1 261.413 2.288 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccncc2)C1 ZINC000174950211 368083252 /nfs/dbraw/zinc/08/32/52/368083252.db2.gz FVJOPJRLYKDGRA-INIZCTEOSA-N 2 1 261.413 2.288 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccncc2)C1 ZINC000174950211 368083256 /nfs/dbraw/zinc/08/32/56/368083256.db2.gz FVJOPJRLYKDGRA-INIZCTEOSA-N 2 1 261.413 2.288 20 0 CEADMP C[N@H+]1CC=C(C[NH2+]Cc2nccn2Cc2ccccc2)CC1 ZINC000345165849 368177571 /nfs/dbraw/zinc/17/75/71/368177571.db2.gz AEQGLEKUJFJITD-UHFFFAOYSA-N 2 1 296.418 2.283 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2nccn2Cc2ccccc2)CC1 ZINC000345165849 368177574 /nfs/dbraw/zinc/17/75/74/368177574.db2.gz AEQGLEKUJFJITD-UHFFFAOYSA-N 2 1 296.418 2.283 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000175404025 368133563 /nfs/dbraw/zinc/13/35/63/368133563.db2.gz XWTLQODDUJLEML-XUWVNRHRSA-N 2 1 295.471 2.190 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@]1(C)CCCO ZINC000345952481 368493935 /nfs/dbraw/zinc/49/39/35/368493935.db2.gz NSBIPUOQXVNKHQ-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP COC[C@H](C)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346130467 368552994 /nfs/dbraw/zinc/55/29/94/368552994.db2.gz IKKZSANANMOTHW-LBPRGKRZSA-N 2 1 274.368 2.042 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1nccn1C ZINC000182233282 368540077 /nfs/dbraw/zinc/54/00/77/368540077.db2.gz VLMRZYTYNLTXFO-ZDUSSCGKSA-N 2 1 272.396 2.333 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000346093379 368543101 /nfs/dbraw/zinc/54/31/01/368543101.db2.gz HPMFOVMPJBVMRZ-RCCFBDPRSA-N 2 1 288.435 2.461 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000346093379 368543113 /nfs/dbraw/zinc/54/31/13/368543113.db2.gz HPMFOVMPJBVMRZ-RCCFBDPRSA-N 2 1 288.435 2.461 20 0 CEADMP COCCC[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346167937 368572258 /nfs/dbraw/zinc/57/22/58/368572258.db2.gz HEEYAKOMJWSALT-UHFFFAOYSA-N 2 1 274.368 2.044 20 0 CEADMP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000183483088 368628881 /nfs/dbraw/zinc/62/88/81/368628881.db2.gz XKBMWDJGNZYJPX-DOMZBBRYSA-N 2 1 278.444 2.042 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346310651 368630583 /nfs/dbraw/zinc/63/05/83/368630583.db2.gz NEHKGSRYCHBRSN-ZIAGYGMSSA-N 2 1 265.401 2.327 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346310651 368630588 /nfs/dbraw/zinc/63/05/88/368630588.db2.gz NEHKGSRYCHBRSN-ZIAGYGMSSA-N 2 1 265.401 2.327 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@H]2CCCO2)C1 ZINC000346413726 368667230 /nfs/dbraw/zinc/66/72/30/368667230.db2.gz NWQFWGPOKRLZGJ-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000346413726 368667235 /nfs/dbraw/zinc/66/72/35/368667235.db2.gz NWQFWGPOKRLZGJ-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000346413726 368667242 /nfs/dbraw/zinc/66/72/42/368667242.db2.gz NWQFWGPOKRLZGJ-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CCC[C@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000346621499 368739215 /nfs/dbraw/zinc/73/92/15/368739215.db2.gz MIERLAORKZZSLO-HOTGVXAUSA-N 2 1 297.487 2.297 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000185197657 368765726 /nfs/dbraw/zinc/76/57/26/368765726.db2.gz STKRQABKAIOVLZ-HUUCEWRRSA-N 2 1 286.460 2.136 20 0 CEADMP CCOc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1OC ZINC000346693330 368775861 /nfs/dbraw/zinc/77/58/61/368775861.db2.gz MKMSVZQEHHYHDU-GXTWGEPZSA-N 2 1 278.396 2.263 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000185223106 368771450 /nfs/dbraw/zinc/77/14/50/368771450.db2.gz APQIMAMAEFEYKD-SFHVURJKSA-N 2 1 297.402 2.071 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000346692349 368774796 /nfs/dbraw/zinc/77/47/96/368774796.db2.gz YIFFYFSNCULNFE-NWDGAFQWSA-N 2 1 282.457 2.158 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000346692349 368774797 /nfs/dbraw/zinc/77/47/97/368774797.db2.gz YIFFYFSNCULNFE-NWDGAFQWSA-N 2 1 282.457 2.158 20 0 CEADMP C[C@H](CO)[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCCC1 ZINC000347247506 368803845 /nfs/dbraw/zinc/80/38/45/368803845.db2.gz KSLROCLUKBGHGQ-KGLIPLIRSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](CO)[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000347247506 368803851 /nfs/dbraw/zinc/80/38/51/368803851.db2.gz KSLROCLUKBGHGQ-KGLIPLIRSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](CO)[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000347247506 368803854 /nfs/dbraw/zinc/80/38/54/368803854.db2.gz KSLROCLUKBGHGQ-KGLIPLIRSA-N 2 1 254.418 2.096 20 0 CEADMP COC1CC([NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000347431570 368809791 /nfs/dbraw/zinc/80/97/91/368809791.db2.gz OUCYPDUCJAYHEU-UHFFFAOYSA-N 2 1 275.396 2.126 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634685155 368813891 /nfs/dbraw/zinc/81/38/91/368813891.db2.gz IDUIZRDDYZBTCT-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000185565833 368824298 /nfs/dbraw/zinc/82/42/98/368824298.db2.gz YAUNLAYFALBARE-UONOGXRCSA-N 2 1 266.360 2.494 20 0 CEADMP CC(F)(F)CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715783 368835476 /nfs/dbraw/zinc/83/54/76/368835476.db2.gz JVERWPIGXQRNCK-INIZCTEOSA-N 2 1 298.377 2.258 20 0 CEADMP CC(F)(F)CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715783 368835483 /nfs/dbraw/zinc/83/54/83/368835483.db2.gz JVERWPIGXQRNCK-INIZCTEOSA-N 2 1 298.377 2.258 20 0 CEADMP Cc1cc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc[nH+]1 ZINC000185648751 368835961 /nfs/dbraw/zinc/83/59/61/368835961.db2.gz RHCXTAWRIGSWPS-HNNXBMFYSA-N 2 1 263.385 2.159 20 0 CEADMP C[C@@H]1C[C@@H](C)[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634647607 368794750 /nfs/dbraw/zinc/79/47/50/368794750.db2.gz BLIYNGAFHQYIKK-INMHGKMJSA-N 2 1 274.408 2.106 20 0 CEADMP C[C@@H]1C[C@@H](C)[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634647607 368794754 /nfs/dbraw/zinc/79/47/54/368794754.db2.gz BLIYNGAFHQYIKK-INMHGKMJSA-N 2 1 274.408 2.106 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCC[NH2+]C2)C1(C)C ZINC000346985410 368795114 /nfs/dbraw/zinc/79/51/14/368795114.db2.gz PJEGVYVGIWOEMK-MELADBBJSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000348174430 368934054 /nfs/dbraw/zinc/93/40/54/368934054.db2.gz XOMFOVDVXJQLBM-LSDHHAIUSA-N 2 1 265.401 2.112 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1(C)C ZINC000348312721 368997894 /nfs/dbraw/zinc/99/78/94/368997894.db2.gz REVZICVUXKJAFV-CABCVRRESA-N 2 1 281.488 2.427 20 0 CEADMP C[C@](CO)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000348327814 369006015 /nfs/dbraw/zinc/00/60/15/369006015.db2.gz FLLKADSBDGOHQS-FGTMMUONSA-N 2 1 288.435 2.153 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cncn1C ZINC000348362952 369018661 /nfs/dbraw/zinc/01/86/61/369018661.db2.gz DFTFXBQTGGVFJF-GDBMZVCRSA-N 2 1 278.444 2.410 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634990801 369020134 /nfs/dbraw/zinc/02/01/34/369020134.db2.gz CWLSGFZIXQBKPE-AWEZNQCLSA-N 2 1 296.418 2.372 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634990801 369020139 /nfs/dbraw/zinc/02/01/39/369020139.db2.gz CWLSGFZIXQBKPE-AWEZNQCLSA-N 2 1 296.418 2.372 20 0 CEADMP Cc1cc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)ccc1-n1cncn1 ZINC000634997101 369026280 /nfs/dbraw/zinc/02/62/80/369026280.db2.gz CWSCRYWYCWZMIR-INIZCTEOSA-N 2 1 299.422 2.279 20 0 CEADMP Cc1cc(C[N@H+]2CCCCC[C@H]([NH3+])C2)ccc1-n1cncn1 ZINC000634997101 369026284 /nfs/dbraw/zinc/02/62/84/369026284.db2.gz CWSCRYWYCWZMIR-INIZCTEOSA-N 2 1 299.422 2.279 20 0 CEADMP CCn1nc(C)c(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000634997917 369027871 /nfs/dbraw/zinc/02/78/71/369027871.db2.gz WDEIQCNURUSQRT-SWLSCSKDSA-N 2 1 278.444 2.340 20 0 CEADMP COc1ccc(C[NH+]2C[C@@H]3C[NH+](C)C[C@H]3C2)c(C)c1OC ZINC000348413840 369039104 /nfs/dbraw/zinc/03/91/04/369039104.db2.gz WMSUYMRBWFOHGV-GJZGRUSLSA-N 2 1 290.407 2.006 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CNc2ccccc21 ZINC000635003941 369040226 /nfs/dbraw/zinc/04/02/26/369040226.db2.gz BZBHPLROQCKWGO-DVOMOZLQSA-N 2 1 259.397 2.173 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000635011015 369048858 /nfs/dbraw/zinc/04/88/58/369048858.db2.gz CHYFGNSELQYVQX-SQNIBIBYSA-N 2 1 287.451 2.429 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H]3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000635011015 369048861 /nfs/dbraw/zinc/04/88/61/369048861.db2.gz CHYFGNSELQYVQX-SQNIBIBYSA-N 2 1 287.451 2.429 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000186510105 368986054 /nfs/dbraw/zinc/98/60/54/368986054.db2.gz JZJGGFXIIXXOKD-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000348297766 368990575 /nfs/dbraw/zinc/99/05/75/368990575.db2.gz CHUXRSWFQFWGKJ-UXLLHSPISA-N 2 1 275.440 2.047 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000348297766 368990581 /nfs/dbraw/zinc/99/05/81/368990581.db2.gz CHUXRSWFQFWGKJ-UXLLHSPISA-N 2 1 275.440 2.047 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1nccn1C ZINC000635012397 369050571 /nfs/dbraw/zinc/05/05/71/369050571.db2.gz TYFATHBYXBEHPX-OLZOCXBDSA-N 2 1 264.417 2.239 20 0 CEADMP C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)[C@@H]1CCCC[NH2+]1 ZINC000635014329 369055058 /nfs/dbraw/zinc/05/50/58/369055058.db2.gz PWZLRKWYWJEQNX-QWRGUYRKSA-N 2 1 290.333 2.022 20 0 CEADMP COC[C@H](C)C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000187673108 369200208 /nfs/dbraw/zinc/20/02/08/369200208.db2.gz WARNHUZLQKZVKB-QLFBSQMISA-N 2 1 256.434 2.227 20 0 CEADMP CC(C)C[C@H](CNC(=O)[C@H]1CC[N@H+]1C1CCCC1)[NH+](C)C ZINC000635556435 369218388 /nfs/dbraw/zinc/21/83/88/369218388.db2.gz OQHZRZAKBDWCTB-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000348951935 369207611 /nfs/dbraw/zinc/20/76/11/369207611.db2.gz SZIIVHAFLPYCNZ-INIZCTEOSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000348951935 369207613 /nfs/dbraw/zinc/20/76/13/369207613.db2.gz SZIIVHAFLPYCNZ-INIZCTEOSA-N 2 1 277.412 2.473 20 0 CEADMP COCC[N@@H+](CCC[NH+](C)C)C[C@H]1CC=CCC1 ZINC000349064769 369233953 /nfs/dbraw/zinc/23/39/53/369233953.db2.gz WJXKFDDGONXGTI-HNNXBMFYSA-N 2 1 254.418 2.243 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358225226 370959350 /nfs/dbraw/zinc/95/93/50/370959350.db2.gz CEMCOHNVJUZFQB-CVEARBPZSA-N 2 1 262.397 2.184 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358225226 370959356 /nfs/dbraw/zinc/95/93/56/370959356.db2.gz CEMCOHNVJUZFQB-CVEARBPZSA-N 2 1 262.397 2.184 20 0 CEADMP COc1cccc(COCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000358225748 370959533 /nfs/dbraw/zinc/95/95/33/370959533.db2.gz MGCIWPKXBMDYSM-GOEBONIOSA-N 2 1 292.423 2.284 20 0 CEADMP Cc1ncc([C@H](C)N(C)C[C@@H]2CC[N@@H+](C)C2)c(C)n1 ZINC000639079932 370952828 /nfs/dbraw/zinc/95/28/28/370952828.db2.gz HIOTXPBLLCPWPK-GXTWGEPZSA-N 2 1 262.401 2.038 20 0 CEADMP C[N@H+]1CC[C@H](CC(=O)NCc2ccc(-c3c[nH]cn3)cc2)C1 ZINC000636060734 369488923 /nfs/dbraw/zinc/48/89/23/369488923.db2.gz WLJBRLNSTVCVAW-CQSZACIVSA-N 2 1 298.390 2.035 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)[C@H](C)C1 ZINC000358258778 370977821 /nfs/dbraw/zinc/97/78/21/370977821.db2.gz VQOJYHFUZKYKAD-CZUORRHYSA-N 2 1 288.439 2.216 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000351861376 369654498 /nfs/dbraw/zinc/65/44/98/369654498.db2.gz LAWZZGAWWIRVRS-BYNSBNAKSA-N 2 1 254.418 2.251 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)c1ccsc1 ZINC000352018699 369661030 /nfs/dbraw/zinc/66/10/30/369661030.db2.gz BENXTKWSEBXQMJ-CQSZACIVSA-N 2 1 279.409 2.356 20 0 CEADMP CCCC[N@H+](C)CCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000352369124 369694730 /nfs/dbraw/zinc/69/47/30/369694730.db2.gz NEMNZEJUHCLMTG-UHFFFAOYSA-N 2 1 291.443 2.033 20 0 CEADMP CCCC[N@@H+](C)CCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000352369124 369694732 /nfs/dbraw/zinc/69/47/32/369694732.db2.gz NEMNZEJUHCLMTG-UHFFFAOYSA-N 2 1 291.443 2.033 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@](CC)(CO)C1 ZINC000191841197 369746256 /nfs/dbraw/zinc/74/62/56/369746256.db2.gz SKZAUCITGDHIKN-OAHLLOKOSA-N 2 1 256.434 2.203 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000352525393 369772740 /nfs/dbraw/zinc/77/27/40/369772740.db2.gz GGYGPAVMWKMMOH-KRWDZBQOSA-N 2 1 290.407 2.279 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000352525393 369772744 /nfs/dbraw/zinc/77/27/44/369772744.db2.gz GGYGPAVMWKMMOH-KRWDZBQOSA-N 2 1 290.407 2.279 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc2c1OCCO2 ZINC000352494769 369757068 /nfs/dbraw/zinc/75/70/68/369757068.db2.gz FOGWQSZPBBYYLZ-CQSZACIVSA-N 2 1 276.380 2.161 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc2c1OCCO2 ZINC000352494769 369757072 /nfs/dbraw/zinc/75/70/72/369757072.db2.gz FOGWQSZPBBYYLZ-CQSZACIVSA-N 2 1 276.380 2.161 20 0 CEADMP CN(C)C(=O)c1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000352511869 369767548 /nfs/dbraw/zinc/76/75/48/369767548.db2.gz TZSZFSQYVDSWJN-INIZCTEOSA-N 2 1 289.423 2.092 20 0 CEADMP Cc1ccn2c(C[N@@H+]3CCCC[C@H]3CC[NH3+])cnc2c1 ZINC000352525831 369773770 /nfs/dbraw/zinc/77/37/70/369773770.db2.gz IWNGCODJHQKVIA-AWEZNQCLSA-N 2 1 272.396 2.346 20 0 CEADMP Cc1ccn2c(C[N@H+]3CCCC[C@H]3CC[NH3+])cnc2c1 ZINC000352525831 369773774 /nfs/dbraw/zinc/77/37/74/369773774.db2.gz IWNGCODJHQKVIA-AWEZNQCLSA-N 2 1 272.396 2.346 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c(cccc3OC)C2)C1 ZINC000192439555 369812466 /nfs/dbraw/zinc/81/24/66/369812466.db2.gz QBPPANMLZUWPCH-GOEBONIOSA-N 2 1 288.435 2.484 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CCO1 ZINC000352692352 369839135 /nfs/dbraw/zinc/83/91/35/369839135.db2.gz FOAMCOKTZKFGEL-ZBFHGGJFSA-N 2 1 291.439 2.490 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000352745380 369864432 /nfs/dbraw/zinc/86/44/32/369864432.db2.gz JEFIDPBPCHHNGT-OCABDXPQSA-N 2 1 293.499 2.425 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000352745380 369864436 /nfs/dbraw/zinc/86/44/36/369864436.db2.gz JEFIDPBPCHHNGT-OCABDXPQSA-N 2 1 293.499 2.425 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352745380 369864442 /nfs/dbraw/zinc/86/44/42/369864442.db2.gz JEFIDPBPCHHNGT-OCABDXPQSA-N 2 1 293.499 2.425 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352745380 369864449 /nfs/dbraw/zinc/86/44/49/369864449.db2.gz JEFIDPBPCHHNGT-OCABDXPQSA-N 2 1 293.499 2.425 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000352913341 369946464 /nfs/dbraw/zinc/94/64/64/369946464.db2.gz HBIDSBYRNSCRMA-SEEARECTSA-N 2 1 294.826 2.242 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000352913341 369946466 /nfs/dbraw/zinc/94/64/66/369946466.db2.gz HBIDSBYRNSCRMA-SEEARECTSA-N 2 1 294.826 2.242 20 0 CEADMP C[N@@H+](C[C@H](O)CC1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353156922 370045393 /nfs/dbraw/zinc/04/53/93/370045393.db2.gz UJVHVDVLBITGIZ-FCLJQHQZSA-N 2 1 280.456 2.485 20 0 CEADMP C[NH+](C[C@H](O)CC1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353156922 370045398 /nfs/dbraw/zinc/04/53/98/370045398.db2.gz UJVHVDVLBITGIZ-FCLJQHQZSA-N 2 1 280.456 2.485 20 0 CEADMP C[NH+](C[C@H](O)CC1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353156922 370045400 /nfs/dbraw/zinc/04/54/00/370045400.db2.gz UJVHVDVLBITGIZ-FCLJQHQZSA-N 2 1 280.456 2.485 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC1CCOCC1 ZINC000353076889 370009945 /nfs/dbraw/zinc/00/99/45/370009945.db2.gz CKHSXUXTMUDUHF-UHFFFAOYSA-N 2 1 263.385 2.054 20 0 CEADMP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000194390826 370033344 /nfs/dbraw/zinc/03/33/44/370033344.db2.gz UOUYGHHKYWLXQZ-HNNXBMFYSA-N 2 1 276.428 2.441 20 0 CEADMP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000194390826 370033350 /nfs/dbraw/zinc/03/33/50/370033350.db2.gz UOUYGHHKYWLXQZ-HNNXBMFYSA-N 2 1 276.428 2.441 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C(C)C ZINC000353521155 370115410 /nfs/dbraw/zinc/11/54/10/370115410.db2.gz PGDONSDTGRUWFB-LJISPDSOSA-N 2 1 254.418 2.120 20 0 CEADMP CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)[NH+]1CCCC1 ZINC000353434500 370111966 /nfs/dbraw/zinc/11/19/66/370111966.db2.gz JLGIJVQMVIJSEK-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP CSC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+](C)CC1 ZINC000353649735 370120849 /nfs/dbraw/zinc/12/08/49/370120849.db2.gz OGUKTWAQNCBKSQ-GJZGRUSLSA-N 3 1 297.512 2.030 20 0 CEADMP C[C@H]1COCC[C@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000354134397 370229639 /nfs/dbraw/zinc/22/96/39/370229639.db2.gz SIMLUAWKIPMQDS-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1COCC[C@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000354134397 370229642 /nfs/dbraw/zinc/22/96/42/370229642.db2.gz SIMLUAWKIPMQDS-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000354332195 370319554 /nfs/dbraw/zinc/31/95/54/370319554.db2.gz ULRLXWFLSPRAIK-GBJTYRQASA-N 2 1 284.444 2.284 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000354332195 370319557 /nfs/dbraw/zinc/31/95/57/370319557.db2.gz ULRLXWFLSPRAIK-GBJTYRQASA-N 2 1 284.444 2.284 20 0 CEADMP CCC[C@H](C[N@H+]1CC[C@@H](C[NH+](C)CCC)C1)OC ZINC000638128228 370323728 /nfs/dbraw/zinc/32/37/28/370323728.db2.gz QSUCHTZORSQQFA-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@@H](C[N@H+](C)CCC)C1)OC ZINC000638128228 370323732 /nfs/dbraw/zinc/32/37/32/370323732.db2.gz QSUCHTZORSQQFA-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1)OC ZINC000638128228 370323737 /nfs/dbraw/zinc/32/37/37/370323737.db2.gz QSUCHTZORSQQFA-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP C[N@@H+](CCCN[C@H]1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000222884017 370258697 /nfs/dbraw/zinc/25/86/97/370258697.db2.gz SGIDENLHQQOGLZ-SJORKVTESA-N 2 1 275.440 2.368 20 0 CEADMP C[N@H+](CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000222884017 370258702 /nfs/dbraw/zinc/25/87/02/370258702.db2.gz SGIDENLHQQOGLZ-SJORKVTESA-N 3 1 275.440 2.368 20 0 CEADMP C[N@@H+](CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000222884017 370258707 /nfs/dbraw/zinc/25/87/07/370258707.db2.gz SGIDENLHQQOGLZ-SJORKVTESA-N 3 1 275.440 2.368 20 0 CEADMP CC[NH2+][C@H](C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000638076472 370283523 /nfs/dbraw/zinc/28/35/23/370283523.db2.gz QDZXQLOJHOOQQF-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)[NH2+]CC)c2C1 ZINC000638090797 370292646 /nfs/dbraw/zinc/29/26/46/370292646.db2.gz YYOOKRIHGHERMJ-LBPRGKRZSA-N 2 1 275.396 2.349 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)[NH2+]CC)c2C1 ZINC000638090797 370292649 /nfs/dbraw/zinc/29/26/49/370292649.db2.gz YYOOKRIHGHERMJ-LBPRGKRZSA-N 2 1 275.396 2.349 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc(OC)s2)C[C@@H]1C ZINC000638112585 370309661 /nfs/dbraw/zinc/30/96/61/370309661.db2.gz YZGZKBNTUCAOHZ-NWDGAFQWSA-N 2 1 283.441 2.456 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000226829420 370353588 /nfs/dbraw/zinc/35/35/88/370353588.db2.gz UJVRLAXTAJGESZ-PPWQZUPISA-N 2 1 282.428 2.181 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000226829420 370353591 /nfs/dbraw/zinc/35/35/91/370353591.db2.gz UJVRLAXTAJGESZ-PPWQZUPISA-N 2 1 282.428 2.181 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC000638133393 370328173 /nfs/dbraw/zinc/32/81/73/370328173.db2.gz JPODMVFRXSJNFF-CYBMUJFWSA-N 2 1 283.441 2.076 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC000638133393 370328174 /nfs/dbraw/zinc/32/81/74/370328174.db2.gz JPODMVFRXSJNFF-CYBMUJFWSA-N 2 1 283.441 2.076 20 0 CEADMP CC[N@@H+]1CC[C@@H](N(C)c2[nH+]cnc3[nH]ccc32)C[C@@H]1C ZINC000354355925 370329865 /nfs/dbraw/zinc/32/98/65/370329865.db2.gz YKNWBFWWLOIJAH-NWDGAFQWSA-N 2 1 273.384 2.267 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)c2[nH+]cnc3[nH]ccc32)C[C@@H]1C ZINC000354355925 370329870 /nfs/dbraw/zinc/32/98/70/370329870.db2.gz YKNWBFWWLOIJAH-NWDGAFQWSA-N 2 1 273.384 2.267 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(F)c1N ZINC000638299053 370431957 /nfs/dbraw/zinc/43/19/57/370431957.db2.gz HHKOXROGEBRYCX-UHFFFAOYSA-N 2 1 253.365 2.085 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000354517777 370395355 /nfs/dbraw/zinc/39/53/55/370395355.db2.gz XIUUOWJMJROFJB-CYBMUJFWSA-N 2 1 278.400 2.253 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638360088 370469477 /nfs/dbraw/zinc/46/94/77/370469477.db2.gz ODJHYPUERCNYPD-BJWYYQGGSA-N 2 1 279.472 2.040 20 0 CEADMP C[C@@H](C[NH2+]CCC[C@H]1CCO1)[N@@H+]1CCCC[C@H]1C ZINC000638362017 370470709 /nfs/dbraw/zinc/47/07/09/370470709.db2.gz XOJDNQJSOLQQET-ILXRZTDVSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H](C[NH2+]CCC[C@H]1CCO1)[N@H+]1CCCC[C@H]1C ZINC000638362017 370470713 /nfs/dbraw/zinc/47/07/13/370470713.db2.gz XOJDNQJSOLQQET-ILXRZTDVSA-N 2 1 254.418 2.408 20 0 CEADMP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000638367663 370476420 /nfs/dbraw/zinc/47/64/20/370476420.db2.gz GCDSBCAEBIOYJM-NEXFUWMNSA-N 2 1 252.402 2.018 20 0 CEADMP CCOC1CC(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000638367663 370476425 /nfs/dbraw/zinc/47/64/25/370476425.db2.gz GCDSBCAEBIOYJM-NEXFUWMNSA-N 2 1 252.402 2.018 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2N)C1 ZINC000638408499 370508128 /nfs/dbraw/zinc/50/81/28/370508128.db2.gz CGZUSZCAHSNBRN-GFCCVEGCSA-N 2 1 265.376 2.229 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2N)C1 ZINC000638408499 370508132 /nfs/dbraw/zinc/50/81/32/370508132.db2.gz CGZUSZCAHSNBRN-GFCCVEGCSA-N 2 1 265.376 2.229 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000355122577 370512128 /nfs/dbraw/zinc/51/21/28/370512128.db2.gz MONXMZRVUKJOSV-IKGGRYGDSA-N 2 1 298.471 2.282 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000355122577 370512132 /nfs/dbraw/zinc/51/21/32/370512132.db2.gz MONXMZRVUKJOSV-IKGGRYGDSA-N 2 1 298.471 2.282 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC2CCSCC2)C1 ZINC000638450820 370539994 /nfs/dbraw/zinc/53/99/94/370539994.db2.gz INPIKQMGAZBGDO-AWEZNQCLSA-N 2 1 256.459 2.451 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000638450257 370540064 /nfs/dbraw/zinc/54/00/64/370540064.db2.gz CZQFTEBVBXEPMK-MRXNPFEDSA-N 2 1 262.397 2.000 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000355333597 370553144 /nfs/dbraw/zinc/55/31/44/370553144.db2.gz MYGWVSHJBZEFAD-CYBMUJFWSA-N 2 1 293.386 2.038 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000356270937 370636471 /nfs/dbraw/zinc/63/64/71/370636471.db2.gz ALXKIHHFGVJEQW-UONOGXRCSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2COc3ccccc3O2)CC[N@H+]1C ZINC000358288050 370994026 /nfs/dbraw/zinc/99/40/26/370994026.db2.gz JKITVGHZGBFHPI-KFWWJZLASA-N 2 1 290.407 2.289 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CC1(F)F ZINC000639125209 371003520 /nfs/dbraw/zinc/00/35/20/371003520.db2.gz XZBWYSOBCVBIRU-UPJWGTAASA-N 2 1 276.371 2.121 20 0 CEADMP CC1CCC(NC(=O)CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246796224 371011462 /nfs/dbraw/zinc/01/14/62/371011462.db2.gz PGSPSMDPXOCEAK-GRAKBVBRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000358344189 371025957 /nfs/dbraw/zinc/02/59/57/371025957.db2.gz VILMNTMWOJTQFZ-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000358344189 371025962 /nfs/dbraw/zinc/02/59/62/371025962.db2.gz VILMNTMWOJTQFZ-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358344189 371025967 /nfs/dbraw/zinc/02/59/67/371025967.db2.gz VILMNTMWOJTQFZ-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP CC[C@H](C)[C@@H](C[N@H+]1CC[C@H](c2nccn2C)C1)OC ZINC000639176677 371053820 /nfs/dbraw/zinc/05/38/20/371053820.db2.gz IYSWNVWWIKFAPS-MELADBBJSA-N 2 1 265.401 2.271 20 0 CEADMP COc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1O ZINC000247042112 371054409 /nfs/dbraw/zinc/05/44/09/371054409.db2.gz OHTXEEQTVAWQLI-SGMGOOAPSA-N 2 1 278.396 2.219 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1O ZINC000247042112 371054412 /nfs/dbraw/zinc/05/44/12/371054412.db2.gz OHTXEEQTVAWQLI-SGMGOOAPSA-N 2 1 278.396 2.219 20 0 CEADMP CO[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)C1CCCC1 ZINC000639179406 371059882 /nfs/dbraw/zinc/05/98/82/371059882.db2.gz SRHQCGJVOFJGFO-CWRNSKLLSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)C1CCCC1 ZINC000639179406 371059885 /nfs/dbraw/zinc/05/98/85/371059885.db2.gz SRHQCGJVOFJGFO-CWRNSKLLSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C)C1CCCC1 ZINC000639179406 371059888 /nfs/dbraw/zinc/05/98/88/371059888.db2.gz SRHQCGJVOFJGFO-CWRNSKLLSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C)C1CCCC1 ZINC000639179406 371059892 /nfs/dbraw/zinc/05/98/92/371059892.db2.gz SRHQCGJVOFJGFO-CWRNSKLLSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000247085403 371061743 /nfs/dbraw/zinc/06/17/43/371061743.db2.gz RFBHKLRBKFTPRL-ARFHVFGLSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)CC[N@H+]1C ZINC000639236506 371130042 /nfs/dbraw/zinc/13/00/42/371130042.db2.gz SOGOARREMIJHBY-FVQBIDKESA-N 2 1 299.422 2.009 20 0 CEADMP CC(C)OCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247957027 371150590 /nfs/dbraw/zinc/15/05/90/371150590.db2.gz FQVQEEYWWVFGOD-GJZGRUSLSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CC(C)C ZINC000639256783 371155978 /nfs/dbraw/zinc/15/59/78/371155978.db2.gz FUJOPLYWDZTURB-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP FC(F)C(F)(F)COCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000683693683 541844482 /nfs/dbraw/zinc/84/44/82/541844482.db2.gz AZHPQVMZABNIBH-WDEREUQCSA-N 2 1 298.324 2.120 20 0 CEADMP CC[N@@H+](CCC[NH2+]C[C@@]1(OC)CCOC1)C1CCCCC1 ZINC000639289600 371191581 /nfs/dbraw/zinc/19/15/81/371191581.db2.gz BWUCYZTYYPOFKX-KRWDZBQOSA-N 2 1 298.471 2.426 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000248422908 371192929 /nfs/dbraw/zinc/19/29/29/371192929.db2.gz YUQYOKBYXZPATL-KKUMJFAQSA-N 2 1 254.418 2.266 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000358749321 371204387 /nfs/dbraw/zinc/20/43/87/371204387.db2.gz KMMRKXAKDVYXQT-GUTXKFCHSA-N 2 1 276.428 2.260 20 0 CEADMP CC[C@]1(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000248712205 371237060 /nfs/dbraw/zinc/23/70/60/371237060.db2.gz JOSWAJYAWXJSOT-NVXWUHKLSA-N 2 1 295.471 2.147 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)OC ZINC000639334243 371242681 /nfs/dbraw/zinc/24/26/81/371242681.db2.gz AZERWNQAWFREDN-JYJNAYRXSA-N 2 1 286.460 2.090 20 0 CEADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)sn1 ZINC000639338761 371250703 /nfs/dbraw/zinc/25/07/03/371250703.db2.gz VVCIYQDJEJUKKV-ZDUSSCGKSA-N 2 1 295.452 2.363 20 0 CEADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)sn1 ZINC000639338761 371250708 /nfs/dbraw/zinc/25/07/08/371250708.db2.gz VVCIYQDJEJUKKV-ZDUSSCGKSA-N 2 1 295.452 2.363 20 0 CEADMP C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)O[C@H]1CCCCO1 ZINC000248855036 371257190 /nfs/dbraw/zinc/25/71/90/371257190.db2.gz YKTMWTIVQBRJDD-SJORKVTESA-N 2 1 296.455 2.337 20 0 CEADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)O[C@H]1CCCCO1 ZINC000248855036 371257194 /nfs/dbraw/zinc/25/71/94/371257194.db2.gz YKTMWTIVQBRJDD-SJORKVTESA-N 2 1 296.455 2.337 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000358943224 371275631 /nfs/dbraw/zinc/27/56/31/371275631.db2.gz OEOYXNSRUVGYEC-OAHLLOKOSA-N 2 1 276.428 2.263 20 0 CEADMP C[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000249279169 371308722 /nfs/dbraw/zinc/30/87/22/371308722.db2.gz MYUQDEZGABCTOG-HLLBOEOZSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000249279169 371308726 /nfs/dbraw/zinc/30/87/26/371308726.db2.gz MYUQDEZGABCTOG-HLLBOEOZSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000249279169 371308729 /nfs/dbraw/zinc/30/87/29/371308729.db2.gz MYUQDEZGABCTOG-HLLBOEOZSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000249279169 371308734 /nfs/dbraw/zinc/30/87/34/371308734.db2.gz MYUQDEZGABCTOG-HLLBOEOZSA-N 2 1 276.424 2.352 20 0 CEADMP CC(C)(C)CCN1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359227585 371386001 /nfs/dbraw/zinc/38/60/01/371386001.db2.gz WSHGKTYNPSEHLZ-UHFFFAOYSA-N 2 1 281.488 2.430 20 0 CEADMP c1ccc([C@@H]2COCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359228689 371386369 /nfs/dbraw/zinc/38/63/69/371386369.db2.gz XFBUHXLCZVMUCA-KRWDZBQOSA-N 2 1 274.408 2.450 20 0 CEADMP COc1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250578956 371386643 /nfs/dbraw/zinc/38/66/43/371386643.db2.gz MDSMAOHNPZBFBV-GJZGRUSLSA-N 2 1 290.407 2.290 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1(C)C ZINC000250564634 371386792 /nfs/dbraw/zinc/38/67/92/371386792.db2.gz UUDNZSJZPQGXKQ-ZQDZILKHSA-N 2 1 266.429 2.406 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1(C)C ZINC000250564634 371386795 /nfs/dbraw/zinc/38/67/95/371386795.db2.gz UUDNZSJZPQGXKQ-ZQDZILKHSA-N 2 1 266.429 2.406 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)s1 ZINC000250842431 371392834 /nfs/dbraw/zinc/39/28/34/371392834.db2.gz WGPMCLXKJHLZGJ-GIPNMCIBSA-N 2 1 253.415 2.270 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)s1 ZINC000250842431 371392840 /nfs/dbraw/zinc/39/28/40/371392840.db2.gz WGPMCLXKJHLZGJ-GIPNMCIBSA-N 2 1 253.415 2.270 20 0 CEADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1c(C)noc1C ZINC000639578548 371418344 /nfs/dbraw/zinc/41/83/44/371418344.db2.gz BBWFRLCGVBFGLY-CYBMUJFWSA-N 2 1 262.357 2.308 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639511624 371374353 /nfs/dbraw/zinc/37/43/53/371374353.db2.gz QJOIRFLUELTQEI-UONOGXRCSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC2CC[NH2+]CC2)C1 ZINC000359206186 371374921 /nfs/dbraw/zinc/37/49/21/371374921.db2.gz HDZKSJFJJRJXEW-INIZCTEOSA-N 3 1 267.461 2.040 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359206186 371374925 /nfs/dbraw/zinc/37/49/25/371374925.db2.gz HDZKSJFJJRJXEW-INIZCTEOSA-N 3 1 267.461 2.040 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359206186 371374931 /nfs/dbraw/zinc/37/49/31/371374931.db2.gz HDZKSJFJJRJXEW-INIZCTEOSA-N 3 1 267.461 2.040 20 0 CEADMP CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250402320 371383427 /nfs/dbraw/zinc/38/34/27/371383427.db2.gz LUQDWTCTWKUPPZ-HZPDHXFCSA-N 2 1 295.471 2.003 20 0 CEADMP COc1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252869944 371485567 /nfs/dbraw/zinc/48/55/67/371485567.db2.gz SBZKAVZDDNEBGN-AEGPPILISA-N 2 1 260.381 2.254 20 0 CEADMP COc1ccccc1OCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252880033 371486782 /nfs/dbraw/zinc/48/67/82/371486782.db2.gz YDLMVVAMPTWABT-KKUMJFAQSA-N 2 1 290.407 2.133 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000252894887 371488076 /nfs/dbraw/zinc/48/80/76/371488076.db2.gz XGBJLVMSXVNVKZ-QMTHXVAHSA-N 2 1 254.324 2.395 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000252894887 371488081 /nfs/dbraw/zinc/48/80/81/371488081.db2.gz XGBJLVMSXVNVKZ-QMTHXVAHSA-N 2 1 254.324 2.395 20 0 CEADMP CO[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)CC[C@H]1C ZINC000252004883 371429242 /nfs/dbraw/zinc/42/92/42/371429242.db2.gz WYMGTBJDCMHNMG-HIFRSBDPSA-N 2 1 265.401 2.329 20 0 CEADMP CO[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CC[C@H]1C ZINC000252004883 371429248 /nfs/dbraw/zinc/42/92/48/371429248.db2.gz WYMGTBJDCMHNMG-HIFRSBDPSA-N 2 1 265.401 2.329 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000252223526 371434475 /nfs/dbraw/zinc/43/44/75/371434475.db2.gz ZRJZEIWMFOWBIR-IKGGRYGDSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252223526 371434480 /nfs/dbraw/zinc/43/44/80/371434480.db2.gz ZRJZEIWMFOWBIR-IKGGRYGDSA-N 3 1 279.472 2.467 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252223526 371434488 /nfs/dbraw/zinc/43/44/88/371434488.db2.gz ZRJZEIWMFOWBIR-IKGGRYGDSA-N 3 1 279.472 2.467 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc[nH]c(=O)c1 ZINC000639613031 371441621 /nfs/dbraw/zinc/44/16/21/371441621.db2.gz PLIMMGYMKUFKQJ-UHFFFAOYSA-N 2 1 288.395 2.458 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc[nH]c(=O)c1 ZINC000639613031 371441626 /nfs/dbraw/zinc/44/16/26/371441626.db2.gz PLIMMGYMKUFKQJ-UHFFFAOYSA-N 2 1 288.395 2.458 20 0 CEADMP Cc1cc(C)cc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252668026 371465399 /nfs/dbraw/zinc/46/53/99/371465399.db2.gz RCHUKEDTYBKEAA-IRXDYDNUSA-N 2 1 274.408 2.256 20 0 CEADMP Cc1cc(C)cc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252668026 371465401 /nfs/dbraw/zinc/46/54/01/371465401.db2.gz RCHUKEDTYBKEAA-IRXDYDNUSA-N 2 1 274.408 2.256 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CCOc2ccccc21 ZINC000252715471 371472885 /nfs/dbraw/zinc/47/28/85/371472885.db2.gz VRQBZGUZLOXXIE-YUELXQCFSA-N 2 1 260.381 2.440 20 0 CEADMP C[C@@H]1CN(C)CC[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000252715471 371472893 /nfs/dbraw/zinc/47/28/93/371472893.db2.gz VRQBZGUZLOXXIE-YUELXQCFSA-N 2 1 260.381 2.440 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000252715471 371472900 /nfs/dbraw/zinc/47/29/00/371472900.db2.gz VRQBZGUZLOXXIE-YUELXQCFSA-N 2 1 260.381 2.440 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000252715471 371472907 /nfs/dbraw/zinc/47/29/07/371472907.db2.gz VRQBZGUZLOXXIE-YUELXQCFSA-N 2 1 260.381 2.440 20 0 CEADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C(C)(C)C)n1 ZINC000252837831 371480553 /nfs/dbraw/zinc/48/05/53/371480553.db2.gz ABUBOTNOLOJLMO-QEJZJMRPSA-N 2 1 290.455 2.277 20 0 CEADMP Cc1nc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c2n1CCCC2 ZINC000360062333 371501233 /nfs/dbraw/zinc/50/12/33/371501233.db2.gz VKSJZBCUMLNKLR-VNHYZAJKSA-N 2 1 290.455 2.346 20 0 CEADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+](CC)CC ZINC000360121707 371505576 /nfs/dbraw/zinc/50/55/76/371505576.db2.gz ASAUCUIENSIWGL-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP c1csc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639701834 371507385 /nfs/dbraw/zinc/50/73/85/371507385.db2.gz CLPLHQOOEFPQJL-UHFFFAOYSA-N 2 1 274.393 2.250 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1C ZINC000360885684 371538818 /nfs/dbraw/zinc/53/88/18/371538818.db2.gz BYFZHBAMWXPBQL-ILXRZTDVSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1C ZINC000360885684 371538823 /nfs/dbraw/zinc/53/88/23/371538823.db2.gz BYFZHBAMWXPBQL-ILXRZTDVSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1C ZINC000360885684 371538828 /nfs/dbraw/zinc/53/88/28/371538828.db2.gz BYFZHBAMWXPBQL-ILXRZTDVSA-N 2 1 265.445 2.076 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756605 371546604 /nfs/dbraw/zinc/54/66/04/371546604.db2.gz YMIDBKBUVQWWDZ-UHFFFAOYSA-N 3 1 267.461 2.136 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759712 371548933 /nfs/dbraw/zinc/54/89/33/371548933.db2.gz HKIAGLCQVWZKKC-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639760592 371549137 /nfs/dbraw/zinc/54/91/37/371549137.db2.gz GWGGIOUGLJCSON-WBVHZDCISA-N 2 1 276.424 2.445 20 0 CEADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639760592 371549138 /nfs/dbraw/zinc/54/91/38/371549138.db2.gz GWGGIOUGLJCSON-WBVHZDCISA-N 2 1 276.424 2.445 20 0 CEADMP Cc1ccc(C)c(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639762172 371550899 /nfs/dbraw/zinc/55/08/99/371550899.db2.gz HHIKTZRCKBRWOC-KRWDZBQOSA-N 2 1 276.424 2.192 20 0 CEADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639762172 371550902 /nfs/dbraw/zinc/55/09/02/371550902.db2.gz HHIKTZRCKBRWOC-KRWDZBQOSA-N 2 1 276.424 2.192 20 0 CEADMP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764613 371553254 /nfs/dbraw/zinc/55/32/54/371553254.db2.gz VWXGMUGPLFPOCO-HOCLYGCPSA-N 2 1 262.397 2.136 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764613 371553257 /nfs/dbraw/zinc/55/32/57/371553257.db2.gz VWXGMUGPLFPOCO-HOCLYGCPSA-N 2 1 262.397 2.136 20 0 CEADMP Cc1ccnc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639683079 371493672 /nfs/dbraw/zinc/49/36/72/371493672.db2.gz GNRGULTXRWLWEU-UHFFFAOYSA-N 2 1 282.391 2.497 20 0 CEADMP c1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)sn1 ZINC000639684012 371493924 /nfs/dbraw/zinc/49/39/24/371493924.db2.gz QEGUVTQIIROPBV-UHFFFAOYSA-N 2 1 274.393 2.250 20 0 CEADMP Cn1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(C(F)F)n1 ZINC000360957320 371561268 /nfs/dbraw/zinc/56/12/68/371561268.db2.gz YYKRSYBYHVWGSL-RYUDHWBXSA-N 2 1 286.370 2.320 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000360987696 371583254 /nfs/dbraw/zinc/58/32/54/371583254.db2.gz SNEFOMGSGFANNM-CQSZACIVSA-N 2 1 276.428 2.346 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000360987696 371583263 /nfs/dbraw/zinc/58/32/63/371583263.db2.gz SNEFOMGSGFANNM-CQSZACIVSA-N 2 1 276.428 2.346 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2c3c(nn2C)CCCC3)[C@H](C)C1 ZINC000361005306 371592569 /nfs/dbraw/zinc/59/25/69/371592569.db2.gz URQSLZRSIBHYLJ-HIFRSBDPSA-N 2 1 290.455 2.119 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2c3c(nn2C)CCCC3)[C@H](C)C1 ZINC000361005306 371592575 /nfs/dbraw/zinc/59/25/75/371592575.db2.gz URQSLZRSIBHYLJ-HIFRSBDPSA-N 2 1 290.455 2.119 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c3c(nn2C)CCCC3)[C@H](C)C1 ZINC000361005306 371592580 /nfs/dbraw/zinc/59/25/80/371592580.db2.gz URQSLZRSIBHYLJ-HIFRSBDPSA-N 2 1 290.455 2.119 20 0 CEADMP CCOC(=O)[C@H]1CCCCCN1CC[C@H]1CCC[N@H+]1C ZINC000259968540 371630652 /nfs/dbraw/zinc/63/06/52/371630652.db2.gz JUPHKJDICKMOHM-HUUCEWRRSA-N 2 1 282.428 2.278 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@H](COc3ccccc3)C2)CC[NH2+]C1 ZINC000261695139 371703822 /nfs/dbraw/zinc/70/38/22/371703822.db2.gz BRZSUBLZPWONPB-RDJZCZTQSA-N 2 1 274.408 2.387 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1scnc1C1CC1 ZINC000261755722 371722609 /nfs/dbraw/zinc/72/26/09/371722609.db2.gz CNUHBDVSBJVQEZ-UWVGGRQHSA-N 2 1 251.399 2.190 20 0 CEADMP COc1ccc2nc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)sc2c1 ZINC000261764358 371723611 /nfs/dbraw/zinc/72/36/11/371723611.db2.gz DEKBVWYUMNNQFT-WDEREUQCSA-N 2 1 291.420 2.474 20 0 CEADMP COc1ccc2nc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)sc2c1 ZINC000261764358 371723616 /nfs/dbraw/zinc/72/36/16/371723616.db2.gz DEKBVWYUMNNQFT-WDEREUQCSA-N 2 1 291.420 2.474 20 0 CEADMP CCC[N@@H+](C[C@H]1CCCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000261776786 371728659 /nfs/dbraw/zinc/72/86/59/371728659.db2.gz NMTXXDUJWJUFJI-HUUCEWRRSA-N 2 1 254.418 2.267 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000261780297 371730100 /nfs/dbraw/zinc/73/01/00/371730100.db2.gz FJPZDEUHCXMTQN-DZGCQCFKSA-N 2 1 276.428 2.095 20 0 CEADMP C[C@]1(C[N@H+]2CCS[C@H]3CCCC[C@H]32)CC[NH2+]C1 ZINC000261894743 371765185 /nfs/dbraw/zinc/76/51/85/371765185.db2.gz UQWQDEFGRIOHDR-RDBSUJKOSA-N 2 1 254.443 2.346 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000261914623 371769258 /nfs/dbraw/zinc/76/92/58/371769258.db2.gz JQTWDASHROJHSK-CYBMUJFWSA-N 2 1 262.397 2.428 20 0 CEADMP COCC[C@H]1CCCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262005478 371797437 /nfs/dbraw/zinc/79/74/37/371797437.db2.gz LUBXHPRYTIQSNM-HUUCEWRRSA-N 2 1 254.418 2.125 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000262105705 371825779 /nfs/dbraw/zinc/82/57/79/371825779.db2.gz FJRJWHRCULQDIX-ZBFHGGJFSA-N 2 1 283.460 2.132 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000262635605 371889765 /nfs/dbraw/zinc/88/97/65/371889765.db2.gz HQAYLUKZTFZARX-HOCLYGCPSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@@H+](CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])C1CCCCC1 ZINC000262998561 371927918 /nfs/dbraw/zinc/92/79/18/371927918.db2.gz OLEZSGPWSUABBB-WBVHZDCISA-N 2 1 295.471 2.275 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263089805 371929981 /nfs/dbraw/zinc/92/99/81/371929981.db2.gz YGTZKCOQSBJJPA-JYYAWHABSA-N 2 1 295.471 2.273 20 0 CEADMP CCN(CC)C(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532638 372021313 /nfs/dbraw/zinc/02/13/13/372021313.db2.gz UREBCPYQYMFGQR-UHFFFAOYSA-N 2 1 283.460 2.053 20 0 CEADMP Cn1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000640530124 372021611 /nfs/dbraw/zinc/02/16/11/372021611.db2.gz AHDPTJUSZZUUIR-UHFFFAOYSA-N 2 1 264.417 2.118 20 0 CEADMP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000361731132 372044739 /nfs/dbraw/zinc/04/47/39/372044739.db2.gz FPYPZPHOOMXEMW-JJRVBVJISA-N 2 1 292.423 2.392 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccnc2)[C@@H](C)C1 ZINC000361866887 372106487 /nfs/dbraw/zinc/10/64/87/372106487.db2.gz CRNCFHVIIUKCFK-GOEBONIOSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccnc2)[C@@H](C)C1 ZINC000361866887 372106491 /nfs/dbraw/zinc/10/64/91/372106491.db2.gz CRNCFHVIIUKCFK-GOEBONIOSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccnc2)[C@@H](C)C1 ZINC000361866887 372106496 /nfs/dbraw/zinc/10/64/96/372106496.db2.gz CRNCFHVIIUKCFK-GOEBONIOSA-N 2 1 261.413 2.286 20 0 CEADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)[C@@H]1CCOC1 ZINC000361828668 372087257 /nfs/dbraw/zinc/08/72/57/372087257.db2.gz LXSATHLBQPPPEB-MRXNPFEDSA-N 2 1 271.364 2.401 20 0 CEADMP COC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000361925438 372132473 /nfs/dbraw/zinc/13/24/73/372132473.db2.gz ORCUDGAVVLCOBS-FGZQJIAISA-N 2 1 254.418 2.264 20 0 CEADMP CCN1CCC([N@@H+](CCOC(C)C)C2CC2)CC1 ZINC000361955382 372143898 /nfs/dbraw/zinc/14/38/98/372143898.db2.gz OWLBZGSNCIDTIF-UHFFFAOYSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CCC([N@H+](CCOC(C)C)C2CC2)CC1 ZINC000361955382 372143904 /nfs/dbraw/zinc/14/39/04/372143904.db2.gz OWLBZGSNCIDTIF-UHFFFAOYSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CCC([N@@H+](CCOC(C)C)C2CC2)CC1 ZINC000361955382 372143909 /nfs/dbraw/zinc/14/39/09/372143909.db2.gz OWLBZGSNCIDTIF-UHFFFAOYSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C(F)F ZINC000361967344 372149647 /nfs/dbraw/zinc/14/96/47/372149647.db2.gz SHBKPULLJOMIDT-YUELXQCFSA-N 2 1 298.377 2.113 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C(F)F ZINC000361967344 372149651 /nfs/dbraw/zinc/14/96/51/372149651.db2.gz SHBKPULLJOMIDT-YUELXQCFSA-N 2 1 298.377 2.113 20 0 CEADMP COc1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)ccn1 ZINC000362104585 372223493 /nfs/dbraw/zinc/22/34/93/372223493.db2.gz YRXPPULLQFPSDM-BZUAXINKSA-N 2 1 287.407 2.006 20 0 CEADMP COc1cccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000268923247 372288933 /nfs/dbraw/zinc/28/89/33/372288933.db2.gz PHQYSYQERVGPAJ-DLTLXFJOSA-N 2 1 292.423 2.047 20 0 CEADMP COCC[N@@H+](CCCn1ccnc1)[C@H]1CC[C@H](C)C1 ZINC000362154492 372247058 /nfs/dbraw/zinc/24/70/58/372247058.db2.gz HQELPVMUBMNRJN-GJZGRUSLSA-N 2 1 265.401 2.410 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2n[nH]cc2c1 ZINC000362325373 372313453 /nfs/dbraw/zinc/31/34/53/372313453.db2.gz RZXYOTYEQRYAOW-NSHDSACASA-N 2 1 269.352 2.190 20 0 CEADMP CO[C@H](C)[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000269107724 372343868 /nfs/dbraw/zinc/34/38/68/372343868.db2.gz VGTMIGOTJFMPIO-QWHCGFSZSA-N 2 1 292.427 2.075 20 0 CEADMP C[C@@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)[C@H]([NH3+])c1ccccc1 ZINC000269263065 372400494 /nfs/dbraw/zinc/40/04/94/372400494.db2.gz NYDZRALUXOMPTE-WBMJQRKESA-N 2 1 298.390 2.422 20 0 CEADMP CC[C@H]1C[N@H+](CCNc2cc(C)[nH+]c3ccccc23)CCO1 ZINC000362662318 372477231 /nfs/dbraw/zinc/47/72/31/372477231.db2.gz HOCWZFBQQSXGCS-HNNXBMFYSA-N 2 1 299.418 2.488 20 0 CEADMP CC[C@H]1C[N@@H+](CCNc2cc(C)[nH+]c3ccccc23)CCO1 ZINC000362662318 372477237 /nfs/dbraw/zinc/47/72/37/372477237.db2.gz HOCWZFBQQSXGCS-HNNXBMFYSA-N 2 1 299.418 2.488 20 0 CEADMP CSc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)o1 ZINC000641720699 372656896 /nfs/dbraw/zinc/65/68/96/372656896.db2.gz OIHCUBJVKDCHNV-CYBMUJFWSA-N 2 1 298.452 2.328 20 0 CEADMP COC[C@@H]1CCCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000364126018 372672855 /nfs/dbraw/zinc/67/28/55/372672855.db2.gz KXEZASSVVXXSJE-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP CSc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)o1 ZINC000641774412 372717930 /nfs/dbraw/zinc/71/79/30/372717930.db2.gz DFYJNJGMMBEVSF-UHFFFAOYSA-N 2 1 297.468 2.071 20 0 CEADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C3C[NH2+]C3)c2C1 ZINC000364250932 372707301 /nfs/dbraw/zinc/70/73/01/372707301.db2.gz OBLIGXFKSHPSEE-UHFFFAOYSA-N 2 1 287.407 2.206 20 0 CEADMP CCc1ccc(C[NH2+][C@H](CO)CC[NH+](CC)CC)cc1 ZINC000641772818 372716118 /nfs/dbraw/zinc/71/61/18/372716118.db2.gz SQSWUAPDFWDGAO-KRWDZBQOSA-N 2 1 278.440 2.431 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(F)c(F)c1 ZINC000641803125 372748647 /nfs/dbraw/zinc/74/86/47/372748647.db2.gz FGKKSPDXVRNRPG-CKLFPEKLSA-N 2 1 297.349 2.007 20 0 CEADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000641796781 372736028 /nfs/dbraw/zinc/73/60/28/372736028.db2.gz KLVJJUQSOUJDII-ZDUSSCGKSA-N 2 1 271.364 2.431 20 0 CEADMP C(C[N@H+]1CC[C@H]([C@H]2CCOC2)C1)C[NH+]1CCCCC1 ZINC000364599723 372767780 /nfs/dbraw/zinc/76/77/80/372767780.db2.gz AJPWDGSEBFXKEZ-HOTGVXAUSA-N 2 1 266.429 2.221 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cn3ccccc3n2)[C@@H]2CCC[C@H]21 ZINC000353452275 220091937 /nfs/dbraw/zinc/09/19/37/220091937.db2.gz ZNAWKXMSYJXQLT-HRCADAONSA-N 2 1 284.407 2.297 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn3ccccc3n2)[C@@H]2CCC[C@H]21 ZINC000353452275 220091939 /nfs/dbraw/zinc/09/19/39/220091939.db2.gz ZNAWKXMSYJXQLT-HRCADAONSA-N 2 1 284.407 2.297 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)C(C)C ZINC000365400798 372849658 /nfs/dbraw/zinc/84/96/58/372849658.db2.gz BCDJARFAOXRLKC-JKSUJKDBSA-N 2 1 297.487 2.436 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C(C)C ZINC000365400798 372849664 /nfs/dbraw/zinc/84/96/64/372849664.db2.gz BCDJARFAOXRLKC-JKSUJKDBSA-N 2 1 297.487 2.436 20 0 CEADMP c1ccc(O[C@@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)nc1 ZINC000270572348 372850469 /nfs/dbraw/zinc/85/04/69/372850469.db2.gz GXWYFGPCWSHNJR-OAHLLOKOSA-N 2 1 275.396 2.021 20 0 CEADMP c1ccc(O[C@@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)nc1 ZINC000270572348 372850473 /nfs/dbraw/zinc/85/04/73/372850473.db2.gz GXWYFGPCWSHNJR-OAHLLOKOSA-N 2 1 275.396 2.021 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000344655537 217265386 /nfs/dbraw/zinc/26/53/86/217265386.db2.gz GJZSHIFARWSBRF-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344655537 217265389 /nfs/dbraw/zinc/26/53/89/217265389.db2.gz GJZSHIFARWSBRF-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344655537 217265392 /nfs/dbraw/zinc/26/53/92/217265392.db2.gz GJZSHIFARWSBRF-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000353489388 220113320 /nfs/dbraw/zinc/11/33/20/220113320.db2.gz JBEHQTWUWGBHMA-SOUVJXGZSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000353489388 220113322 /nfs/dbraw/zinc/11/33/22/220113322.db2.gz JBEHQTWUWGBHMA-SOUVJXGZSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000353489388 220113325 /nfs/dbraw/zinc/11/33/25/220113325.db2.gz JBEHQTWUWGBHMA-SOUVJXGZSA-N 2 1 255.450 2.037 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCn2cnc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000353506455 220124699 /nfs/dbraw/zinc/12/46/99/220124699.db2.gz YNRIQSRVBDOPMM-ZOBUZTSGSA-N 2 1 298.434 2.499 20 0 CEADMP Cc1ccc2c(C)cc(N3CCC(O)(C[NH3+])CC3)[nH+]c2c1 ZINC000643053530 372936235 /nfs/dbraw/zinc/93/62/35/372936235.db2.gz XQBSVFGYFHOTOS-UHFFFAOYSA-N 2 1 285.391 2.142 20 0 CEADMP COc1cccc(C[N@H+](C)CCn2cc[nH+]c2C)c1 ZINC000270809335 372961504 /nfs/dbraw/zinc/96/15/04/372961504.db2.gz HCWSEAJSVARNAN-UHFFFAOYSA-N 2 1 259.353 2.332 20 0 CEADMP COc1cccc(C[N@@H+](C)CCn2cc[nH+]c2C)c1 ZINC000270809335 372961515 /nfs/dbraw/zinc/96/15/15/372961515.db2.gz HCWSEAJSVARNAN-UHFFFAOYSA-N 2 1 259.353 2.332 20 0 CEADMP CN(C[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000643256327 373002500 /nfs/dbraw/zinc/00/25/00/373002500.db2.gz QPGGAYBZJBJUSN-QZTJIDSGSA-N 2 1 287.451 2.287 20 0 CEADMP CN(C[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643256327 373002510 /nfs/dbraw/zinc/00/25/10/373002510.db2.gz QPGGAYBZJBJUSN-QZTJIDSGSA-N 2 1 287.451 2.287 20 0 CEADMP CN(C[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643256327 373002514 /nfs/dbraw/zinc/00/25/14/373002514.db2.gz QPGGAYBZJBJUSN-QZTJIDSGSA-N 2 1 287.451 2.287 20 0 CEADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353531148 220139532 /nfs/dbraw/zinc/13/95/32/220139532.db2.gz VCZCCLXYURSEGW-ZJIFWQFVSA-N 2 1 268.445 2.246 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000366472977 373061902 /nfs/dbraw/zinc/06/19/02/373061902.db2.gz VTZXGURFTQVRNB-HUUCEWRRSA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000366472977 373061910 /nfs/dbraw/zinc/06/19/10/373061910.db2.gz VTZXGURFTQVRNB-HUUCEWRRSA-N 2 1 263.385 2.225 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccnn1C ZINC000643484232 373150377 /nfs/dbraw/zinc/15/03/77/373150377.db2.gz JXFBIRNJTWEVOB-QLFBSQMISA-N 2 1 278.444 2.280 20 0 CEADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC[NH2+]C1CC1 ZINC000643506131 373164216 /nfs/dbraw/zinc/16/42/16/373164216.db2.gz LJGGULOFISYMML-LBPRGKRZSA-N 2 1 250.361 2.488 20 0 CEADMP c1n[nH]c2c1[C@H]([NH2+]CCCC[NH+]1CCCC1)CCC2 ZINC000367588644 373165232 /nfs/dbraw/zinc/16/52/32/373165232.db2.gz MUJBDOHEARNQKB-CQSZACIVSA-N 2 1 262.401 2.253 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462798 373129528 /nfs/dbraw/zinc/12/95/28/373129528.db2.gz OPQBAHIXNQQZAK-DJIMGWMZSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000643463001 373133060 /nfs/dbraw/zinc/13/30/60/373133060.db2.gz YJMYWDFWBUVJHT-NJZAAPMLSA-N 2 1 295.377 2.274 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000643463003 373133107 /nfs/dbraw/zinc/13/31/07/373133107.db2.gz YJMYWDFWBUVJHT-UXIGCNINSA-N 2 1 295.377 2.274 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)[C@H]1C ZINC000353567617 220161492 /nfs/dbraw/zinc/16/14/92/220161492.db2.gz HAHPCLGGWLMHLY-QPSCCSFWSA-N 2 1 284.444 2.283 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)[C@H]1C ZINC000353567617 220161493 /nfs/dbraw/zinc/16/14/93/220161493.db2.gz HAHPCLGGWLMHLY-QPSCCSFWSA-N 2 1 284.444 2.283 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CCCc3cccnc32)CCC[NH2+]C1 ZINC000643518711 373175705 /nfs/dbraw/zinc/17/57/05/373175705.db2.gz PEOOZICERXKWFF-ZBFHGGJFSA-N 2 1 259.397 2.438 20 0 CEADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000643526055 373182297 /nfs/dbraw/zinc/18/22/97/373182297.db2.gz OIDVZRYRIZFGGG-RKDXNWHRSA-N 2 1 257.175 2.447 20 0 CEADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000643525981 373183144 /nfs/dbraw/zinc/18/31/44/373183144.db2.gz LHTCVERUZGWMBL-RKDXNWHRSA-N 2 1 257.175 2.447 20 0 CEADMP COCCC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(F)cc1 ZINC000643527885 373184998 /nfs/dbraw/zinc/18/49/98/373184998.db2.gz UPWMJWLISJTTLU-SMDDNHRTSA-N 2 1 254.349 2.230 20 0 CEADMP c1c[nH]c([C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2ccccc2)n1 ZINC000643535073 373191220 /nfs/dbraw/zinc/19/12/20/373191220.db2.gz IPLHGFZLKHUFDR-CABCVRRESA-N 2 1 282.391 2.231 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000271909133 373209067 /nfs/dbraw/zinc/20/90/67/373209067.db2.gz XMANEDQSFCKSTR-CQSZACIVSA-N 2 1 297.406 2.180 20 0 CEADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1)C2 ZINC000368846416 373273890 /nfs/dbraw/zinc/27/38/90/373273890.db2.gz QQKXIOZVZDOJOA-UKRRQHHQSA-N 2 1 298.390 2.123 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1cnc3ccccn13)CC[NH2+]CC2 ZINC000643973781 373317024 /nfs/dbraw/zinc/31/70/24/373317024.db2.gz NADPHYQZMACONF-CQSZACIVSA-N 2 1 284.407 2.298 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000369397260 373406859 /nfs/dbraw/zinc/40/68/59/373406859.db2.gz FIVNZQGZAKUSFO-SFHVURJKSA-N 2 1 287.451 2.287 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)[nH]n1 ZINC000353622867 220198957 /nfs/dbraw/zinc/19/89/57/220198957.db2.gz OTRGGJYOTSNFLK-KSYCFECVSA-N 2 1 276.428 2.112 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n[nH]1 ZINC000353622867 220198961 /nfs/dbraw/zinc/19/89/61/220198961.db2.gz OTRGGJYOTSNFLK-KSYCFECVSA-N 2 1 276.428 2.112 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n[nH]1 ZINC000353622867 220198962 /nfs/dbraw/zinc/19/89/62/220198962.db2.gz OTRGGJYOTSNFLK-KSYCFECVSA-N 2 1 276.428 2.112 20 0 CEADMP Cn1cncc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000369542047 373448213 /nfs/dbraw/zinc/44/82/13/373448213.db2.gz XSWUGJHROJMWJS-WFASDCNBSA-N 2 1 290.436 2.264 20 0 CEADMP Cn1cncc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369542047 373448221 /nfs/dbraw/zinc/44/82/21/373448221.db2.gz XSWUGJHROJMWJS-WFASDCNBSA-N 2 1 290.436 2.264 20 0 CEADMP COC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(C)o1 ZINC000573621884 299445972 /nfs/dbraw/zinc/44/59/72/299445972.db2.gz PLWQBXKLRNYABI-CQSZACIVSA-N 2 1 277.368 2.231 20 0 CEADMP Cc1noc(C2CCC([NH2+]C[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000644533683 373518346 /nfs/dbraw/zinc/51/83/46/373518346.db2.gz JFRRFKDQOQUZAT-YMAMQOFZSA-N 2 1 292.427 2.334 20 0 CEADMP CC(C)[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000132638715 220206223 /nfs/dbraw/zinc/20/62/23/220206223.db2.gz FDDUDYLNVPPFQR-UKRRQHHQSA-N 2 1 265.445 2.074 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000644664854 373592964 /nfs/dbraw/zinc/59/29/64/373592964.db2.gz FZTKXPHAZBKUCG-UKRRQHHQSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000644664854 373592969 /nfs/dbraw/zinc/59/29/69/373592969.db2.gz FZTKXPHAZBKUCG-UKRRQHHQSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(n2cccn2)CC1 ZINC000370487170 373667005 /nfs/dbraw/zinc/66/70/05/373667005.db2.gz AEYQHAOCKHSWBY-OAHLLOKOSA-N 2 1 276.428 2.394 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000370622597 373700460 /nfs/dbraw/zinc/70/04/60/373700460.db2.gz PNPWTHYHJKBCCZ-OAHLLOKOSA-N 2 1 278.444 2.016 20 0 CEADMP CCC[C@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)[NH+](C)C ZINC000371307856 373836885 /nfs/dbraw/zinc/83/68/85/373836885.db2.gz ISKAIDZPUZXLFD-GDBMZVCRSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCO1 ZINC000371427725 373880121 /nfs/dbraw/zinc/88/01/21/373880121.db2.gz YQVNUNZEYKNPCY-CVEARBPZSA-N 2 1 296.455 2.179 20 0 CEADMP CCC[N@H+](CC)CC[NH2+]C1CCN(c2nccs2)CC1 ZINC000371579517 373926669 /nfs/dbraw/zinc/92/66/69/373926669.db2.gz KRRARBPHOPIPCE-UHFFFAOYSA-N 2 1 296.484 2.433 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+]C1CCN(c2nccs2)CC1 ZINC000371579517 373926670 /nfs/dbraw/zinc/92/66/70/373926670.db2.gz KRRARBPHOPIPCE-UHFFFAOYSA-N 2 1 296.484 2.433 20 0 CEADMP Cc1nc(C)c(C)c(NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000372010217 374020350 /nfs/dbraw/zinc/02/03/50/374020350.db2.gz NDKVHOIZXPDISP-GOOCMWNKSA-N 2 1 274.412 2.108 20 0 CEADMP Cc1nc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c(C)[nH+]1 ZINC000372010217 374020359 /nfs/dbraw/zinc/02/03/59/374020359.db2.gz NDKVHOIZXPDISP-GOOCMWNKSA-N 2 1 274.412 2.108 20 0 CEADMP Cc1nc(NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c(C)[nH+]1 ZINC000372010217 374020369 /nfs/dbraw/zinc/02/03/69/374020369.db2.gz NDKVHOIZXPDISP-GOOCMWNKSA-N 2 1 274.412 2.108 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000371749276 373966979 /nfs/dbraw/zinc/96/69/79/373966979.db2.gz YOYASQYBJRGPLI-GJZGRUSLSA-N 2 1 263.385 2.129 20 0 CEADMP CC[N@@H+](C)CCN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274972280 374110395 /nfs/dbraw/zinc/11/03/95/374110395.db2.gz YDTQWIHBBOXLHV-SJLPKXTDSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+](C)CCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972280 374110399 /nfs/dbraw/zinc/11/03/99/374110399.db2.gz YDTQWIHBBOXLHV-SJLPKXTDSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+](C)CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972280 374110404 /nfs/dbraw/zinc/11/04/04/374110404.db2.gz YDTQWIHBBOXLHV-SJLPKXTDSA-N 2 1 289.467 2.438 20 0 CEADMP CCN(C)CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972280 374110409 /nfs/dbraw/zinc/11/04/09/374110409.db2.gz YDTQWIHBBOXLHV-SJLPKXTDSA-N 2 1 289.467 2.438 20 0 CEADMP CCN(C)CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972280 374110416 /nfs/dbraw/zinc/11/04/16/374110416.db2.gz YDTQWIHBBOXLHV-SJLPKXTDSA-N 2 1 289.467 2.438 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@H]2CCOC2)[C@@H](C)C1 ZINC000645830309 374211776 /nfs/dbraw/zinc/21/17/76/374211776.db2.gz LZBUVRFCCGQXRX-JYJNAYRXSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC[C@H]2CCOC2)[C@@H](C)C1 ZINC000645830309 374211779 /nfs/dbraw/zinc/21/17/79/374211779.db2.gz LZBUVRFCCGQXRX-JYJNAYRXSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC[C@H]2CCOC2)[C@@H](C)C1 ZINC000645830309 374211780 /nfs/dbraw/zinc/21/17/80/374211780.db2.gz LZBUVRFCCGQXRX-JYJNAYRXSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCn2cc[nH+]c2C)C12CCC2 ZINC000373225653 374298956 /nfs/dbraw/zinc/29/89/56/374298956.db2.gz BXXYDMVFHGDULW-BPLDGKMQSA-N 2 1 277.412 2.375 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645963908 374315393 /nfs/dbraw/zinc/31/53/93/374315393.db2.gz CWUWKDDZSANASC-ZIAGYGMSSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)CCNC(=O)[C@H](C)N1CCC(c2c[nH]cn2)CC1 ZINC000374200850 374510564 /nfs/dbraw/zinc/51/05/64/374510564.db2.gz RWQGKKBLKGYHNQ-ZDUSSCGKSA-N 2 1 292.427 2.140 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1cncnc1)CC2)C1CC1 ZINC000374282985 374531510 /nfs/dbraw/zinc/53/15/10/374531510.db2.gz KJZUJOZGROVNEX-HNNXBMFYSA-N 2 1 286.423 2.173 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000374324871 374541324 /nfs/dbraw/zinc/54/13/24/374541324.db2.gz AWBHZYNWSUZXGG-GJZGRUSLSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCO ZINC000278390283 374801688 /nfs/dbraw/zinc/80/16/88/374801688.db2.gz AEYQHMSUBPJOKV-DOTOQJQBSA-N 2 1 276.424 2.259 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCO ZINC000278390283 374801692 /nfs/dbraw/zinc/80/16/92/374801692.db2.gz AEYQHMSUBPJOKV-DOTOQJQBSA-N 2 1 276.424 2.259 20 0 CEADMP Cc1cc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc[nH+]1 ZINC000278286183 374769728 /nfs/dbraw/zinc/76/97/28/374769728.db2.gz CGEIMUHBPKEJRE-CQSZACIVSA-N 2 1 275.396 2.080 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280359867 375182647 /nfs/dbraw/zinc/18/26/47/375182647.db2.gz TUDNDIJPAJBGAV-QGZVFWFLSA-N 2 1 291.439 2.481 20 0 CEADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000382892381 375195167 /nfs/dbraw/zinc/19/51/67/375195167.db2.gz PXEWDOSMDQIASK-BFHYXJOUSA-N 2 1 299.459 2.220 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000387715639 375278926 /nfs/dbraw/zinc/27/89/26/375278926.db2.gz ZSJOGFCTJZITEL-JALIKCBVSA-N 2 1 295.471 2.142 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000387645317 375279954 /nfs/dbraw/zinc/27/99/54/375279954.db2.gz YMKKHSSLAJADNA-HUUCEWRRSA-N 2 1 297.487 2.391 20 0 CEADMP CC(C)CC(C)(C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000391144229 375316004 /nfs/dbraw/zinc/31/60/04/375316004.db2.gz SOEGJGNJECKVGI-AWEZNQCLSA-N 2 1 256.434 2.103 20 0 CEADMP CC(C)CC(C)(C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000391144229 375316008 /nfs/dbraw/zinc/31/60/08/375316008.db2.gz SOEGJGNJECKVGI-AWEZNQCLSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@H]([NH2+]CCc1ccccc1F)[C@H]1CCCC[NH2+]1 ZINC000386614078 375263775 /nfs/dbraw/zinc/26/37/75/375263775.db2.gz XDUBADMDDASBBY-SWLSCSKDSA-N 2 1 250.361 2.488 20 0 CEADMP C[N@@H+](CCNc1cc[nH+]c2c(O)cccc12)C1CC1 ZINC000684569609 542035217 /nfs/dbraw/zinc/03/52/17/542035217.db2.gz DVKAISMLVZUODW-UHFFFAOYSA-N 2 1 257.337 2.447 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)OCC2CC2)CC[N@H+]1C ZINC000414261921 375808546 /nfs/dbraw/zinc/80/85/46/375808546.db2.gz JMDIWDLEAZXDPX-JSGCOSHPSA-N 2 1 254.418 2.264 20 0 CEADMP C[NH2+][C@H](C)Cc1noc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000414644359 375896224 /nfs/dbraw/zinc/89/62/24/375896224.db2.gz MEZFCYOVSQRVAE-DGCLKSJQSA-N 2 1 278.400 2.300 20 0 CEADMP C[C@H](CCc1ccccc1F)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414796398 375980914 /nfs/dbraw/zinc/98/09/14/375980914.db2.gz AGOWWYJQJMLIDN-IAQYHMDHSA-N 2 1 250.361 2.474 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787161 375968889 /nfs/dbraw/zinc/96/88/89/375968889.db2.gz VCPKHJDWHRMSTH-GJZGRUSLSA-N 2 1 276.428 2.286 20 0 CEADMP CCc1nc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cs1 ZINC000414788024 375971076 /nfs/dbraw/zinc/97/10/76/375971076.db2.gz MQEMTTHHVNYGOU-HIFRSBDPSA-N 2 1 295.452 2.034 20 0 CEADMP [NH3+]CCC[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000414697167 375924719 /nfs/dbraw/zinc/92/47/19/375924719.db2.gz BQCQWVJLMAUFBM-CYBMUJFWSA-N 2 1 254.761 2.142 20 0 CEADMP COc1cccc(C[N@@H+](CCC[NH3+])C[C@@H]2CCCO2)c1 ZINC000414697927 375925845 /nfs/dbraw/zinc/92/58/45/375925845.db2.gz WXRBPXLTULBWGK-INIZCTEOSA-N 2 1 278.396 2.025 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCS1 ZINC000414714081 375937218 /nfs/dbraw/zinc/93/72/18/375937218.db2.gz WZBSENFVSGDMLT-RDBSUJKOSA-N 2 1 256.459 2.448 20 0 CEADMP CCN1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)[C@@H](C)C1 ZINC000286403470 375942268 /nfs/dbraw/zinc/94/22/68/375942268.db2.gz HPAHKWIQAGGTSD-HNNXBMFYSA-N 2 1 284.407 2.398 20 0 CEADMP CCN1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)[C@@H](C)C1 ZINC000286403470 375942273 /nfs/dbraw/zinc/94/22/73/375942273.db2.gz HPAHKWIQAGGTSD-HNNXBMFYSA-N 2 1 284.407 2.398 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCC2(CCOCC2)C1 ZINC000414746783 375947322 /nfs/dbraw/zinc/94/73/22/375947322.db2.gz SVHDPLLGDPREHO-CQSZACIVSA-N 2 1 254.418 2.252 20 0 CEADMP COc1cc(C[NH2+]CC(C)(C)[NH3+])cc(Cl)c1OC ZINC000414806038 375991874 /nfs/dbraw/zinc/99/18/74/375991874.db2.gz PNIUXMLKAPRFRO-UHFFFAOYSA-N 2 1 272.776 2.184 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(COC)c1 ZINC000414817755 376004042 /nfs/dbraw/zinc/00/40/42/376004042.db2.gz SXQPLFMKBJOKPN-HNNXBMFYSA-N 2 1 250.386 2.440 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2c(Cl)cnn2C)cc1 ZINC000414819431 376006589 /nfs/dbraw/zinc/00/65/89/376006589.db2.gz YSYSBGWRCMPLRM-SNVBAGLBSA-N 2 1 278.787 2.383 20 0 CEADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000414999931 376014956 /nfs/dbraw/zinc/01/49/56/376014956.db2.gz KWHIPJOZKSXLTL-UPJWGTAASA-N 2 1 258.356 2.400 20 0 CEADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000415979949 376030935 /nfs/dbraw/zinc/03/09/35/376030935.db2.gz FKOBGKINBDAJIP-IUODEOHRSA-N 2 1 290.411 2.010 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000414800624 375984147 /nfs/dbraw/zinc/98/41/47/375984147.db2.gz SGVWRPAIJAVGGW-OAHLLOKOSA-N 2 1 272.396 2.458 20 0 CEADMP CCOc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1OCC ZINC000414800899 375984643 /nfs/dbraw/zinc/98/46/43/375984643.db2.gz LOOVJIMPKYAYJZ-CQSZACIVSA-N 2 1 278.396 2.311 20 0 CEADMP CCCOc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1OC ZINC000414802568 375986518 /nfs/dbraw/zinc/98/65/18/375986518.db2.gz KNOPDZJKJGXLGD-UHFFFAOYSA-N 2 1 266.385 2.311 20 0 CEADMP C[C@@H]1COc2ccccc2C[N@H+]1CC1CC[NH2+]CC1 ZINC000261803586 190044738 /nfs/dbraw/zinc/04/47/38/190044738.db2.gz HCXRGECUDOAVRJ-CYBMUJFWSA-N 2 1 260.381 2.269 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)NC(C)(C)C[NH3+])cc1)C(C)C ZINC000262541103 190057024 /nfs/dbraw/zinc/05/70/24/190057024.db2.gz GAPYXXZGNBRCDB-UHFFFAOYSA-N 2 1 291.439 2.384 20 0 CEADMP CCc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000287656785 376286028 /nfs/dbraw/zinc/28/60/28/376286028.db2.gz VEYORRWZIJBRLO-FGTMMUONSA-N 2 1 288.435 2.499 20 0 CEADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C(N)=O)cc1 ZINC000289560485 376402912 /nfs/dbraw/zinc/40/29/12/376402912.db2.gz YPJYDDVOACWCLL-UHFFFAOYSA-N 2 1 289.423 2.093 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C(N)=O)cc1 ZINC000289560485 376402918 /nfs/dbraw/zinc/40/29/18/376402918.db2.gz YPJYDDVOACWCLL-UHFFFAOYSA-N 2 1 289.423 2.093 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419257596 376416283 /nfs/dbraw/zinc/41/62/83/376416283.db2.gz ADTFFGBSXPPVNY-ZIAGYGMSSA-N 2 1 295.471 2.286 20 0 CEADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C[NH+]1CCCCCC1 ZINC000556753110 376477473 /nfs/dbraw/zinc/47/74/73/376477473.db2.gz DUOSBOTUNLZJRC-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000263815689 190080466 /nfs/dbraw/zinc/08/04/66/190080466.db2.gz VXYBOZKLXIHMMP-GFCCVEGCSA-N 2 1 273.384 2.490 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000263815689 190080467 /nfs/dbraw/zinc/08/04/67/190080467.db2.gz VXYBOZKLXIHMMP-GFCCVEGCSA-N 2 1 273.384 2.490 20 0 CEADMP CCc1ccc([C@H](CO)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000305769229 376484077 /nfs/dbraw/zinc/48/40/77/376484077.db2.gz MABIXYWDQCOZCU-BZSNNMDCSA-N 2 1 288.435 2.499 20 0 CEADMP CCc1ccc([C@H](CO)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000305769229 376484083 /nfs/dbraw/zinc/48/40/83/376484083.db2.gz MABIXYWDQCOZCU-BZSNNMDCSA-N 2 1 288.435 2.499 20 0 CEADMP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000289896895 376550702 /nfs/dbraw/zinc/55/07/02/376550702.db2.gz MUODZUBDQXQWEV-FHLIZLRMSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000289896895 376550705 /nfs/dbraw/zinc/55/07/05/376550705.db2.gz MUODZUBDQXQWEV-FHLIZLRMSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1[C@H](c2ccccc2)CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289896895 376550707 /nfs/dbraw/zinc/55/07/07/376550707.db2.gz MUODZUBDQXQWEV-FHLIZLRMSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1[C@H](c2ccccc2)CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289896895 376550710 /nfs/dbraw/zinc/55/07/10/376550710.db2.gz MUODZUBDQXQWEV-FHLIZLRMSA-N 2 1 288.435 2.320 20 0 CEADMP Cc1[nH+]ccc(N[C@@H]2CCn3cc[nH+]c3C2)c1Cl ZINC000334300475 206332475 /nfs/dbraw/zinc/33/24/75/206332475.db2.gz UQJFHKMJGUYTKE-SNVBAGLBSA-N 2 1 262.744 2.089 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(O)c2)C1 ZINC000289859239 376532031 /nfs/dbraw/zinc/53/20/31/376532031.db2.gz RNRNHAWYHJQZKI-STQMWFEESA-N 2 1 278.396 2.393 20 0 CEADMP C[NH2+]CC1CCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000420185026 376597942 /nfs/dbraw/zinc/59/79/42/376597942.db2.gz JEPLDVMLAMUWRX-UHFFFAOYSA-N 2 1 291.443 2.102 20 0 CEADMP Cn1c(N[C@H]2CCCC[C@@H]2C[NH3+])[nH+]c2cccc(F)c21 ZINC000420186709 376598960 /nfs/dbraw/zinc/59/89/60/376598960.db2.gz AWARCLUSYSJJCZ-PWSUYJOCSA-N 2 1 276.359 2.064 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000558293320 376599379 /nfs/dbraw/zinc/59/93/79/376599379.db2.gz IYLHRWYEMBEYFK-IBEHDNSVSA-N 2 1 268.445 2.103 20 0 CEADMP CC[N@@H+](CCc1cncn1C)Cc1ccc2c(c1)OCO2 ZINC000290062987 376625261 /nfs/dbraw/zinc/62/52/61/376625261.db2.gz PMBARHZRSMHQQH-UHFFFAOYSA-N 2 1 287.363 2.213 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCOCC1 ZINC000558769968 376644891 /nfs/dbraw/zinc/64/48/91/376644891.db2.gz ONQXHTHALFLWRC-CZUORRHYSA-N 2 1 266.429 2.266 20 0 CEADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000310981539 376647678 /nfs/dbraw/zinc/64/76/78/376647678.db2.gz TYQHQAKVKVIKPK-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000312556544 376719188 /nfs/dbraw/zinc/71/91/88/376719188.db2.gz HJIXVUPLEZGFSL-LOWVWBTDSA-N 2 1 292.345 2.170 20 0 CEADMP CC(C)c1cc(N2CC[C@H](C)C[C@H]2C[NH3+])nc(N(C)C)[nH+]1 ZINC000420263525 376673589 /nfs/dbraw/zinc/67/35/89/376673589.db2.gz TWGXKMCAAPFKNH-STQMWFEESA-N 2 1 291.443 2.230 20 0 CEADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420383494 376683939 /nfs/dbraw/zinc/68/39/39/376683939.db2.gz QUGOZWKCSZIHEJ-PBHICJAKSA-N 2 1 299.422 2.443 20 0 CEADMP C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)CC1CCOCC1 ZINC000312096134 376702818 /nfs/dbraw/zinc/70/28/18/376702818.db2.gz FGUVZDBCDGLHOG-CVEARBPZSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C[C@H](C)O1 ZINC000560127382 376714585 /nfs/dbraw/zinc/71/45/85/376714585.db2.gz MMVUTYIXKPFTGJ-BTTYYORXSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C[C@H](C)O1 ZINC000560127382 376714594 /nfs/dbraw/zinc/71/45/94/376714594.db2.gz MMVUTYIXKPFTGJ-BTTYYORXSA-N 2 1 254.418 2.406 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)c1ncc[nH]1)c1ccccc1 ZINC000560698764 376778515 /nfs/dbraw/zinc/77/85/15/376778515.db2.gz VBGKCMKNZBGSRQ-OCCSQVGLSA-N 2 1 286.379 2.280 20 0 CEADMP CCN(C)[C@H](C(=O)N[C@H](C)c1ncc[nH]1)c1ccccc1 ZINC000560698764 376778523 /nfs/dbraw/zinc/77/85/23/376778523.db2.gz VBGKCMKNZBGSRQ-OCCSQVGLSA-N 2 1 286.379 2.280 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000290440313 376778808 /nfs/dbraw/zinc/77/88/08/376778808.db2.gz LTQGKPHFHIJECK-GUYCJALGSA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290440313 376778825 /nfs/dbraw/zinc/77/88/25/376778825.db2.gz LTQGKPHFHIJECK-GUYCJALGSA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290440313 376778832 /nfs/dbraw/zinc/77/88/32/376778832.db2.gz LTQGKPHFHIJECK-GUYCJALGSA-N 2 1 289.423 2.417 20 0 CEADMP COCC[NH+]1CCC(N[C@H]2CCCc3cccnc32)CC1 ZINC000684955304 542096654 /nfs/dbraw/zinc/09/66/54/542096654.db2.gz JSTLBLZUXKAOQY-INIZCTEOSA-N 2 1 289.423 2.159 20 0 CEADMP Cc1ccncc1CCCN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000290554367 376831306 /nfs/dbraw/zinc/83/13/06/376831306.db2.gz ZGEBTOYDADFAPW-RDJZCZTQSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccncc1CCCN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000290554367 376831309 /nfs/dbraw/zinc/83/13/09/376831309.db2.gz ZGEBTOYDADFAPW-RDJZCZTQSA-N 2 1 273.424 2.349 20 0 CEADMP CC[C@@H]([NH2+]CCOc1ccccc1C)[C@@H]1CCC[NH2+]1 ZINC000422938601 376868205 /nfs/dbraw/zinc/86/82/05/376868205.db2.gz HJDSUNNKZNRLBU-CABCVRRESA-N 2 1 262.397 2.494 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)n1 ZINC000422942951 376870752 /nfs/dbraw/zinc/87/07/52/376870752.db2.gz XGGJGOFDGRYPNM-OLZOCXBDSA-N 2 1 280.416 2.246 20 0 CEADMP COc1cccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422950152 376873103 /nfs/dbraw/zinc/87/31/03/376873103.db2.gz XDTATCRZJCWBJT-XJKSGUPXSA-N 2 1 262.397 2.215 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422998170 376914664 /nfs/dbraw/zinc/91/46/64/376914664.db2.gz CKZDRVOTZOKRRM-RDBSUJKOSA-N 2 1 256.434 2.150 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422998167 376914750 /nfs/dbraw/zinc/91/47/50/376914750.db2.gz CKZDRVOTZOKRRM-MELADBBJSA-N 2 1 256.434 2.150 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422997336 376915328 /nfs/dbraw/zinc/91/53/28/376915328.db2.gz NPKJEQUGGOOLOB-GJZGRUSLSA-N 3 1 255.450 2.214 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422997336 376915333 /nfs/dbraw/zinc/91/53/33/376915333.db2.gz NPKJEQUGGOOLOB-GJZGRUSLSA-N 3 1 255.450 2.214 20 0 CEADMP Cc1cnc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000423015467 376928670 /nfs/dbraw/zinc/92/86/70/376928670.db2.gz RAKFNWMKNJVIBI-IRXDYDNUSA-N 2 1 296.418 2.410 20 0 CEADMP Cc1csc([C@@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)n1 ZINC000423035728 376943481 /nfs/dbraw/zinc/94/34/81/376943481.db2.gz JVZBSBVSAGOJCJ-WCQGTBRESA-N 2 1 253.415 2.285 20 0 CEADMP CC1=CC[N@H+](CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423042571 376948242 /nfs/dbraw/zinc/94/82/42/376948242.db2.gz ZTAOGSVCCOUMPK-GVDBMIGSSA-N 2 1 277.456 2.149 20 0 CEADMP CC1=CC[N@@H+](CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423042571 376948246 /nfs/dbraw/zinc/94/82/46/376948246.db2.gz ZTAOGSVCCOUMPK-GVDBMIGSSA-N 2 1 277.456 2.149 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000423056211 376950189 /nfs/dbraw/zinc/95/01/89/376950189.db2.gz FOCBOAOPVCYULU-DZGCQCFKSA-N 2 1 285.391 2.057 20 0 CEADMP CC[C@H]([NH2+][C@@H](CO)Cc1ccccc1C)[C@@H]1CCC[NH2+]1 ZINC000423057694 376952291 /nfs/dbraw/zinc/95/22/91/376952291.db2.gz HZCPGIFENTVSLU-IKGGRYGDSA-N 2 1 276.424 2.019 20 0 CEADMP Cc1ccc2c(C)cc(N3CCC([NH2+]CCO)CC3)[nH+]c2c1 ZINC000290880313 376966000 /nfs/dbraw/zinc/96/60/00/376966000.db2.gz BUVVPWCMCUMLHT-UHFFFAOYSA-N 2 1 299.418 2.402 20 0 CEADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000423122238 377016841 /nfs/dbraw/zinc/01/68/41/377016841.db2.gz BYHUADDHOROEET-KCQAQPDRSA-N 2 1 277.387 2.135 20 0 CEADMP COc1cccc(C2(C[NH2+][C@@H]3C[NH2+]CC[C@H]3C)CC2)c1 ZINC000423128662 377027705 /nfs/dbraw/zinc/02/77/05/377027705.db2.gz WCXGDIXXGHRPAT-CZUORRHYSA-N 2 1 274.408 2.314 20 0 CEADMP CSc1ccc([C@@H](C[NH2+][C@H](C)C2C[NH2+]C2)N(C)C)cc1 ZINC000423145590 377045243 /nfs/dbraw/zinc/04/52/43/377045243.db2.gz LMRILESCUDGTED-MLGOLLRUSA-N 2 1 293.480 2.209 20 0 CEADMP COC[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423091915 376984724 /nfs/dbraw/zinc/98/47/24/376984724.db2.gz ZPDFGANSFYZRBC-QMTHXVAHSA-N 2 1 268.788 2.225 20 0 CEADMP COc1ccc([C@H](CN(C)C)[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000423099166 376991569 /nfs/dbraw/zinc/99/15/69/376991569.db2.gz FBIXNLYUJHNLNR-IOASZLSFSA-N 2 1 279.428 2.013 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423149295 377050153 /nfs/dbraw/zinc/05/01/53/377050153.db2.gz AMNVSJRJXNWLET-OLZOCXBDSA-N 2 1 272.751 2.327 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423106697 377001016 /nfs/dbraw/zinc/00/10/16/377001016.db2.gz OTIOEPMOLYWAJA-VXGBXAGGSA-N 2 1 285.338 2.433 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CN(C)C)c1ccc(F)cc1 ZINC000423115541 377009370 /nfs/dbraw/zinc/00/93/70/377009370.db2.gz YEXZDZMIBFCTNG-ZOWXZIJZSA-N 2 1 267.392 2.144 20 0 CEADMP C[C@H](NC1CC[NH2+]CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423194709 377110934 /nfs/dbraw/zinc/11/09/34/377110934.db2.gz YHKMIZUBKREZTH-AWEZNQCLSA-N 2 1 291.439 2.030 20 0 CEADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423152862 377054233 /nfs/dbraw/zinc/05/42/33/377054233.db2.gz FTECPBILZRPBND-XLNGHYISSA-N 2 1 274.408 2.230 20 0 CEADMP Cc1nc(C)c(C[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000685564091 542157097 /nfs/dbraw/zinc/15/70/97/542157097.db2.gz FLKPJOSZEANMMM-UHFFFAOYSA-N 2 1 251.374 2.065 20 0 CEADMP C[NH2+]CCC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423207011 377124800 /nfs/dbraw/zinc/12/48/00/377124800.db2.gz XOLFWQRARNZEQN-INIZCTEOSA-N 2 1 284.407 2.449 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000423269998 377189923 /nfs/dbraw/zinc/18/99/23/377189923.db2.gz WFHHPORYLPEERL-DGCLKSJQSA-N 2 1 291.395 2.042 20 0 CEADMP C[N@H+](CCCNC(=O)C[NH+]1CC(C)(C)C1)C1CCCCC1 ZINC000563371409 377192128 /nfs/dbraw/zinc/19/21/28/377192128.db2.gz MMDCEGTZWKJXJJ-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+](CCCNC(=O)C[NH+]1CC(C)(C)C1)C1CCCCC1 ZINC000563371409 377192138 /nfs/dbraw/zinc/19/21/38/377192138.db2.gz MMDCEGTZWKJXJJ-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC)CCC[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000264753458 190132913 /nfs/dbraw/zinc/13/29/13/190132913.db2.gz XFVUXNJWHZTOSW-QGZVFWFLSA-N 2 1 278.440 2.254 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000264753458 190132914 /nfs/dbraw/zinc/13/29/14/190132914.db2.gz XFVUXNJWHZTOSW-QGZVFWFLSA-N 2 1 278.440 2.254 20 0 CEADMP N[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2O)C[C@H]1c1ccccc1F ZINC000563271220 377149611 /nfs/dbraw/zinc/14/96/11/377149611.db2.gz NHPONQJBKFIDMT-SDNTUTLCSA-N 2 1 292.398 2.103 20 0 CEADMP N[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2O)C[C@H]1c1ccccc1F ZINC000563271220 377149623 /nfs/dbraw/zinc/14/96/23/377149623.db2.gz NHPONQJBKFIDMT-SDNTUTLCSA-N 2 1 292.398 2.103 20 0 CEADMP CC(C)C[C@H](C[NH3+])N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423261689 377178677 /nfs/dbraw/zinc/17/86/77/377178677.db2.gz KMVOAJUJMCVDJI-JQHSSLGASA-N 2 1 289.467 2.470 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CN)C1CCCCC1 ZINC000423262384 377181894 /nfs/dbraw/zinc/18/18/94/377181894.db2.gz MHAYYHPEOKGBSV-SUMWQHHRSA-N 2 1 290.455 2.407 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CN)C1CCCCC1 ZINC000423262381 377182495 /nfs/dbraw/zinc/18/24/95/377182495.db2.gz MHAYYHPEOKGBSV-CXAGYDPISA-N 2 1 290.455 2.407 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000563445097 377227293 /nfs/dbraw/zinc/22/72/93/377227293.db2.gz WVVQOIYRJAZMLW-JYJNAYRXSA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000423297437 377228424 /nfs/dbraw/zinc/22/84/24/377228424.db2.gz KGSFQIRFNZZAMI-HIFRSBDPSA-N 2 1 287.411 2.435 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000423336941 377268402 /nfs/dbraw/zinc/26/84/02/377268402.db2.gz UTDGFTMWYVMRMK-RKDXNWHRSA-N 2 1 289.192 2.456 20 0 CEADMP CC(C)(C)[N@H+]1CCCN(c2cc(NC3CC3)ncn2)CC1 ZINC000563517784 377239901 /nfs/dbraw/zinc/23/99/01/377239901.db2.gz GLPHPVNTTIJVJE-UHFFFAOYSA-N 2 1 289.427 2.362 20 0 CEADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423313576 377243368 /nfs/dbraw/zinc/24/33/68/377243368.db2.gz FWXSSFYKMHYCMS-SUMWQHHRSA-N 3 1 291.439 2.015 20 0 CEADMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccccc1 ZINC000563535789 377244752 /nfs/dbraw/zinc/24/47/52/377244752.db2.gz WAGQUHSYKYORNZ-QGZVFWFLSA-N 2 1 287.407 2.091 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423318179 377248336 /nfs/dbraw/zinc/24/83/36/377248336.db2.gz CVBGAIOOWVOPRT-BPLDGKMQSA-N 2 1 262.397 2.307 20 0 CEADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423322133 377251669 /nfs/dbraw/zinc/25/16/69/377251669.db2.gz NPWNNUKBATXLHQ-CHWSQXEVSA-N 2 1 264.344 2.149 20 0 CEADMP C[C@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423320847 377253083 /nfs/dbraw/zinc/25/30/83/377253083.db2.gz GUKFZHWANFQSAB-VDHUWJSZSA-N 2 1 287.451 2.366 20 0 CEADMP [NH3+]C1CCC(NCC[NH2+]C2CCCCCC2)CC1 ZINC000331947271 377495683 /nfs/dbraw/zinc/49/56/83/377495683.db2.gz IZSPJXGNZISABS-UHFFFAOYSA-N 2 1 253.434 2.158 20 0 CEADMP [NH3+]C1CCC([NH2+]CCNC2CCCCCC2)CC1 ZINC000331947271 377495690 /nfs/dbraw/zinc/49/56/90/377495690.db2.gz IZSPJXGNZISABS-UHFFFAOYSA-N 2 1 253.434 2.158 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000430644120 377531788 /nfs/dbraw/zinc/53/17/88/377531788.db2.gz SZOOOMQUZJQJGU-OAHLLOKOSA-N 2 1 275.396 2.076 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000430644120 377531794 /nfs/dbraw/zinc/53/17/94/377531794.db2.gz SZOOOMQUZJQJGU-OAHLLOKOSA-N 2 1 275.396 2.076 20 0 CEADMP C[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)[N@H+]1CCCC[C@@H]1C ZINC000430766782 377548788 /nfs/dbraw/zinc/54/87/88/377548788.db2.gz YRGVDOGVRKNAKL-KBPBESRZSA-N 2 1 289.423 2.138 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NC2CCCCCC2)C[C@H]1C[NH3+] ZINC000332269154 377555550 /nfs/dbraw/zinc/55/55/50/377555550.db2.gz FXXRZRGPBHAVCD-RBSFLKMASA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NC2CCCCCC2)C[C@H]1C[NH3+] ZINC000332269154 377555554 /nfs/dbraw/zinc/55/55/54/377555554.db2.gz FXXRZRGPBHAVCD-RBSFLKMASA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CCCC[C@@H]2C)CC[C@@H]1[NH3+] ZINC000430956055 377573828 /nfs/dbraw/zinc/57/38/28/377573828.db2.gz JRTOFUOMEGUOMT-LJISPDSOSA-N 2 1 254.418 2.251 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](O)CN(C)CC ZINC000565157497 377576782 /nfs/dbraw/zinc/57/67/82/377576782.db2.gz NHLVGCNTMHSFLE-QLFBSQMISA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000565157497 377576785 /nfs/dbraw/zinc/57/67/85/377576785.db2.gz NHLVGCNTMHSFLE-QLFBSQMISA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000565157497 377576787 /nfs/dbraw/zinc/57/67/87/377576787.db2.gz NHLVGCNTMHSFLE-QLFBSQMISA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000565157497 377576791 /nfs/dbraw/zinc/57/67/91/377576791.db2.gz NHLVGCNTMHSFLE-QLFBSQMISA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000565157497 377576794 /nfs/dbraw/zinc/57/67/94/377576794.db2.gz NHLVGCNTMHSFLE-QLFBSQMISA-N 2 1 256.434 2.200 20 0 CEADMP CC(C)(C)[C@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431073653 377594144 /nfs/dbraw/zinc/59/41/44/377594144.db2.gz ZMXNVIJGKASREC-SNVBAGLBSA-N 2 1 266.389 2.274 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC000566040312 377711334 /nfs/dbraw/zinc/71/13/34/377711334.db2.gz FOGRTKGJFWRAEN-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP CN(CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000566303683 377754431 /nfs/dbraw/zinc/75/44/31/377754431.db2.gz FOWDCFQISFSDNH-KRWDZBQOSA-N 2 1 273.424 2.198 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(F)c2)CC[N@H+]1C ZINC000567161294 377806206 /nfs/dbraw/zinc/80/62/06/377806206.db2.gz SBTFCGXYZGMXPP-TZMCWYRMSA-N 2 1 293.386 2.227 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000435877560 377812511 /nfs/dbraw/zinc/81/25/11/377812511.db2.gz SBQMVMDDGIJQPH-HNNXBMFYSA-N 2 1 250.361 2.442 20 0 CEADMP C(C[N@H+]1CCC[C@H]1CN1CCCCC1)[C@@H]1CCOC1 ZINC000437583881 377851766 /nfs/dbraw/zinc/85/17/66/377851766.db2.gz YGIQIBNTOPVECN-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C[C@@H]1CCCC[C@H]1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441359271 377938787 /nfs/dbraw/zinc/93/87/87/377938787.db2.gz WGVBUKNHEHCGCW-CVEARBPZSA-N 2 1 281.488 2.428 20 0 CEADMP CCC(C)(C)CC[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000441466789 377945588 /nfs/dbraw/zinc/94/55/88/377945588.db2.gz NWTKCMYAJOHTMP-HNNXBMFYSA-N 2 1 268.445 2.467 20 0 CEADMP Cc1cc(C[C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n[nH]1 ZINC000294348049 377982873 /nfs/dbraw/zinc/98/28/73/377982873.db2.gz ZAAIZLOHHGWPLP-CYBMUJFWSA-N 2 1 299.422 2.303 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000442787978 377995542 /nfs/dbraw/zinc/99/55/42/377995542.db2.gz YXNJFHZIHHNMQP-SJPCQFCGSA-N 2 1 287.407 2.360 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000442787978 377995548 /nfs/dbraw/zinc/99/55/48/377995548.db2.gz YXNJFHZIHHNMQP-SJPCQFCGSA-N 2 1 287.407 2.360 20 0 CEADMP C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060182 378031118 /nfs/dbraw/zinc/03/11/18/378031118.db2.gz OLQZLRGVTPGWFU-CABCVRRESA-N 2 1 289.423 2.099 20 0 CEADMP CC(C)c1noc([C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000443062707 378032137 /nfs/dbraw/zinc/03/21/37/378032137.db2.gz VDJUQKGOYWENIS-NEPJUHHUSA-N 2 1 266.389 2.315 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CS1 ZINC000443066809 378033858 /nfs/dbraw/zinc/03/38/58/378033858.db2.gz HZPQYIQXQMWAJU-GJZGRUSLSA-N 2 1 299.528 2.132 20 0 CEADMP CC[NH+](CC)CCN(CC(C)C)c1cc[nH+]c(N(C)C)n1 ZINC000443513266 378058661 /nfs/dbraw/zinc/05/86/61/378058661.db2.gz AUCRXVXKVBOFSK-UHFFFAOYSA-N 2 1 293.459 2.347 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c2ccccc21 ZINC000447532605 378113492 /nfs/dbraw/zinc/11/34/92/378113492.db2.gz WOKITXYEJABEOP-RRQGHBQHSA-N 2 1 276.424 2.383 20 0 CEADMP CC[C@H](COCC(F)(F)F)[NH2+]C1CC[NH+](C)CC1 ZINC000449381264 378207863 /nfs/dbraw/zinc/20/78/63/378207863.db2.gz RIFKQBTWMFZYLV-SNVBAGLBSA-N 2 1 268.323 2.028 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(CO)c1 ZINC000296078405 378410719 /nfs/dbraw/zinc/41/07/19/378410719.db2.gz XCUVQNIONXDFPF-FCLXEUQJSA-N 2 1 274.408 2.455 20 0 CEADMP C[N@@H+](CCO)C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450370972 378380211 /nfs/dbraw/zinc/38/02/11/378380211.db2.gz CREQIQYSEZPXQG-ZDUSSCGKSA-N 2 1 290.398 2.200 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC[NH+](C)Cc1ccccc1 ZINC000450656963 378521756 /nfs/dbraw/zinc/52/17/56/378521756.db2.gz WPCFIPREYXTBAB-HZPDHXFCSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)CN1CC[N@H+](C)Cc1ccccc1 ZINC000450656963 378521760 /nfs/dbraw/zinc/52/17/60/378521760.db2.gz WPCFIPREYXTBAB-HZPDHXFCSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)CN1CC[N@@H+](C)Cc1ccccc1 ZINC000450656963 378521762 /nfs/dbraw/zinc/52/17/62/378521762.db2.gz WPCFIPREYXTBAB-HZPDHXFCSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC[NH+](C)Cc1ccccc1 ZINC000450656962 378522075 /nfs/dbraw/zinc/52/20/75/378522075.db2.gz WPCFIPREYXTBAB-HOTGVXAUSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@H]1C[NH+](C)[C@@H](C)CN1CC[N@H+](C)Cc1ccccc1 ZINC000450656962 378522082 /nfs/dbraw/zinc/52/20/82/378522082.db2.gz WPCFIPREYXTBAB-HOTGVXAUSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@H]1C[NH+](C)[C@@H](C)CN1CC[N@@H+](C)Cc1ccccc1 ZINC000450656962 378522088 /nfs/dbraw/zinc/52/20/88/378522088.db2.gz WPCFIPREYXTBAB-HOTGVXAUSA-N 2 1 275.440 2.143 20 0 CEADMP CC(C)C[C@@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000450630337 378507432 /nfs/dbraw/zinc/50/74/32/378507432.db2.gz VBJKRRZXVOPUAM-OAHLLOKOSA-N 2 1 269.477 2.379 20 0 CEADMP CCc1cc(CCC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)on1 ZINC000451057784 378691704 /nfs/dbraw/zinc/69/17/04/378691704.db2.gz FJBKPRVBKNWUSS-INIZCTEOSA-N 2 1 277.412 2.197 20 0 CEADMP CCc1cc(CCC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)on1 ZINC000451057784 378691714 /nfs/dbraw/zinc/69/17/14/378691714.db2.gz FJBKPRVBKNWUSS-INIZCTEOSA-N 2 1 277.412 2.197 20 0 CEADMP CCc1cc(CCC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)on1 ZINC000451057784 378691718 /nfs/dbraw/zinc/69/17/18/378691718.db2.gz FJBKPRVBKNWUSS-INIZCTEOSA-N 2 1 277.412 2.197 20 0 CEADMP CCc1cc(CCC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)on1 ZINC000451057784 378691721 /nfs/dbraw/zinc/69/17/21/378691721.db2.gz FJBKPRVBKNWUSS-INIZCTEOSA-N 2 1 277.412 2.197 20 0 CEADMP Cc1cc(NC(=O)N[C@H](C)CC[NH+](C)C)cn2cc[nH+]c12 ZINC000296794409 378651319 /nfs/dbraw/zinc/65/13/19/378651319.db2.gz HBGZPMMLJLQUJV-GFCCVEGCSA-N 2 1 289.383 2.104 20 0 CEADMP C[C@H](Cc1cnccn1)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000453055118 378787501 /nfs/dbraw/zinc/78/75/01/378787501.db2.gz DGHLWSYVCSMFRZ-OWCLPIDISA-N 2 1 290.455 2.365 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C)n1 ZINC000346842550 218032837 /nfs/dbraw/zinc/03/28/37/218032837.db2.gz IGEGVIHUKIZNHK-IMJJTQAJSA-N 2 1 289.423 2.266 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346839137 218032860 /nfs/dbraw/zinc/03/28/60/218032860.db2.gz YGWGXHFPNAPNPZ-CQMQOEFUSA-N 2 1 272.392 2.378 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cnn(Cc4ccccc4)c3)C[C@H]12 ZINC000346844734 218033904 /nfs/dbraw/zinc/03/39/04/218033904.db2.gz JVIZCVMTYDGRJR-OKZBNKHCSA-N 2 1 296.418 2.101 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CCOCC1 ZINC000453103354 378804827 /nfs/dbraw/zinc/80/48/27/378804827.db2.gz CBWXXTAQEVHXCP-HOTGVXAUSA-N 2 1 298.471 2.281 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cnc([C@H]4CCCO4)s3)C[C@@H]12 ZINC000346818989 218023281 /nfs/dbraw/zinc/02/32/81/218023281.db2.gz DKPDDWDSRZSTTO-FMKGYKFTSA-N 2 1 293.436 2.164 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc([C@H]4CCCO4)s3)C[C@@H]12 ZINC000346818989 218023282 /nfs/dbraw/zinc/02/32/82/218023282.db2.gz DKPDDWDSRZSTTO-FMKGYKFTSA-N 2 1 293.436 2.164 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453143762 378818018 /nfs/dbraw/zinc/81/80/18/378818018.db2.gz MOCAMZDKRPTXQW-HPBDAGMYSA-N 2 1 288.435 2.400 20 0 CEADMP CC[N@H+]1C[C@H](N[C@@H](CC(C)C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000453257677 378844332 /nfs/dbraw/zinc/84/43/32/378844332.db2.gz NXOAICZFFALVHO-ULQDDVLXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+]1C[C@H](N[C@@H](CC(C)C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000453257677 378844338 /nfs/dbraw/zinc/84/43/38/378844338.db2.gz NXOAICZFFALVHO-ULQDDVLXSA-N 2 1 281.488 2.427 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnn(Cc4ccccc4)c3)C[C@H]12 ZINC000346844732 218034999 /nfs/dbraw/zinc/03/49/99/218034999.db2.gz JVIZCVMTYDGRJR-FGTMMUONSA-N 2 1 296.418 2.101 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccnc3)C[C@@H]21 ZINC000346846852 218035034 /nfs/dbraw/zinc/03/50/34/218035034.db2.gz CMAHSUQXDBDQNE-CWRNSKLLSA-N 2 1 297.406 2.031 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c[nH]nc43)C[C@@H]21 ZINC000346853061 218038374 /nfs/dbraw/zinc/03/83/74/218038374.db2.gz XPLYQYCUQOEKNQ-AEGPPILISA-N 2 1 270.380 2.122 20 0 CEADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453324866 378862721 /nfs/dbraw/zinc/86/27/21/378862721.db2.gz LMXABBDBLJETBW-BZUAXINKSA-N 2 1 259.397 2.352 20 0 CEADMP CCc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000346864746 218041111 /nfs/dbraw/zinc/04/11/11/218041111.db2.gz YZLKPVBYFKRCHA-WCFLWFBJSA-N 2 1 265.426 2.265 20 0 CEADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1(C(=O)OC)CCC1 ZINC000453343782 378868058 /nfs/dbraw/zinc/86/80/58/378868058.db2.gz IVYBTMHUNAPXJP-JALIKCBVSA-N 2 1 294.439 2.323 20 0 CEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)OC ZINC000453240927 378836668 /nfs/dbraw/zinc/83/66/68/378836668.db2.gz CPXOGYDXVYMVDQ-LXTVHRRPSA-N 2 1 254.418 2.264 20 0 CEADMP CCn1ccnc1[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000453375515 378877464 /nfs/dbraw/zinc/87/74/64/378877464.db2.gz XUWDIRCUNXSDAD-YIYPIFLZSA-N 2 1 264.417 2.282 20 0 CEADMP CC(C)[N@@H+](CCc1nccs1)CC1CC[NH2+]CC1 ZINC000346985581 218079203 /nfs/dbraw/zinc/07/92/03/218079203.db2.gz PIVHSPSOHWZQGU-UHFFFAOYSA-N 2 1 267.442 2.396 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnc(-c3ccccn3)s2)CC[C@H]1[NH3+] ZINC000347036534 218101017 /nfs/dbraw/zinc/10/10/17/218101017.db2.gz GZJZMKRMTBBQKY-DGCLKSJQSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccn3)s2)CC[C@H]1[NH3+] ZINC000347036534 218101019 /nfs/dbraw/zinc/10/10/19/218101019.db2.gz GZJZMKRMTBBQKY-DGCLKSJQSA-N 2 1 288.420 2.374 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000347053528 218106172 /nfs/dbraw/zinc/10/61/72/218106172.db2.gz SJLHUKOJQDFFLY-ZDUSSCGKSA-N 2 1 270.380 2.118 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000347053528 218106175 /nfs/dbraw/zinc/10/61/75/218106175.db2.gz SJLHUKOJQDFFLY-ZDUSSCGKSA-N 2 1 270.380 2.118 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000347056617 218107982 /nfs/dbraw/zinc/10/79/82/218107982.db2.gz VPBZDFRGSUYDMH-ZDUSSCGKSA-N 2 1 270.380 2.166 20 0 CEADMP Cn1cnc2cc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)ccc21 ZINC000347063619 218109299 /nfs/dbraw/zinc/10/92/99/218109299.db2.gz CECOOAINHFWFBH-YIONKMFJSA-N 2 1 284.407 2.288 20 0 CEADMP CCC[N@H+](Cc1ccc(C(=O)OCC)o1)C1CC[NH2+]CC1 ZINC000347020812 218094093 /nfs/dbraw/zinc/09/40/93/218094093.db2.gz MXYQYXUIZDNTMD-UHFFFAOYSA-N 2 1 294.395 2.420 20 0 CEADMP CCC[N@@H+](Cc1ccc(C(=O)OCC)o1)C1CC[NH2+]CC1 ZINC000347020812 218094095 /nfs/dbraw/zinc/09/40/95/218094095.db2.gz MXYQYXUIZDNTMD-UHFFFAOYSA-N 2 1 294.395 2.420 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1C ZINC000347104109 218123429 /nfs/dbraw/zinc/12/34/29/218123429.db2.gz LABWYHKRSMGXDM-XHDPSFHLSA-N 2 1 264.417 2.079 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1C ZINC000347104109 218123431 /nfs/dbraw/zinc/12/34/31/218123431.db2.gz LABWYHKRSMGXDM-XHDPSFHLSA-N 2 1 264.417 2.079 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(OCCOC)c2)C1 ZINC000347175467 218145679 /nfs/dbraw/zinc/14/56/79/218145679.db2.gz POAMAROPOMEDIH-MRXNPFEDSA-N 2 1 292.423 2.143 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(OCCOC)c2)C1 ZINC000347175467 218145681 /nfs/dbraw/zinc/14/56/81/218145681.db2.gz POAMAROPOMEDIH-MRXNPFEDSA-N 2 1 292.423 2.143 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000347307210 218185164 /nfs/dbraw/zinc/18/51/64/218185164.db2.gz AYPULUWHKIORQV-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H](CC)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497073960 379043556 /nfs/dbraw/zinc/04/35/56/379043556.db2.gz SNZVGRYWUYQVAL-UONOGXRCSA-N 2 1 299.459 2.364 20 0 CEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000497087806 379047025 /nfs/dbraw/zinc/04/70/25/379047025.db2.gz HNZILDRSCOWKIF-ABAIWWIYSA-N 2 1 289.379 2.031 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC[N@@H+]1C ZINC000503853484 379071585 /nfs/dbraw/zinc/07/15/85/379071585.db2.gz DKHFVLNTMUAFPG-WRWGMCAJSA-N 2 1 262.344 2.219 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC[N@H+]1C ZINC000503853484 379071587 /nfs/dbraw/zinc/07/15/87/379071587.db2.gz DKHFVLNTMUAFPG-WRWGMCAJSA-N 2 1 262.344 2.219 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000515068877 379184457 /nfs/dbraw/zinc/18/44/57/379184457.db2.gz OPPQMUXBRVUDFU-JONQDZQNSA-N 2 1 268.445 2.200 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000515068877 379184465 /nfs/dbraw/zinc/18/44/65/379184465.db2.gz OPPQMUXBRVUDFU-JONQDZQNSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000515068877 379184470 /nfs/dbraw/zinc/18/44/70/379184470.db2.gz OPPQMUXBRVUDFU-JONQDZQNSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000515068877 379184473 /nfs/dbraw/zinc/18/44/73/379184473.db2.gz OPPQMUXBRVUDFU-JONQDZQNSA-N 2 1 268.445 2.200 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000300424708 379173491 /nfs/dbraw/zinc/17/34/91/379173491.db2.gz ICRVTJLNOFQEEO-OLMTUDMXSA-N 2 1 266.429 2.405 20 0 CEADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000516562018 379292094 /nfs/dbraw/zinc/29/20/94/379292094.db2.gz HASJLHOKHBUMJM-WFASDCNBSA-N 2 1 275.396 2.039 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000516861350 379315144 /nfs/dbraw/zinc/31/51/44/379315144.db2.gz SCFSDNXKTAIYAM-RISCZKNCSA-N 2 1 284.350 2.418 20 0 CEADMP OC[C@@H]1CCCN1C[C@H]1CCC[N@H+]1CC1CCCC1 ZINC000304902761 379600716 /nfs/dbraw/zinc/60/07/16/379600716.db2.gz UHOPLBOFRBPQQR-CVEARBPZSA-N 2 1 266.429 2.098 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)CCC(C)C)[C@@H](C)C1 ZINC000305132966 379652221 /nfs/dbraw/zinc/65/22/21/379652221.db2.gz KHPIHNXAIUAYER-HRCADAONSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](CCO)c1ccccc1 ZINC000305158686 379666986 /nfs/dbraw/zinc/66/69/86/379666986.db2.gz WNGUCQSDIKTKLX-PVAVHDDUSA-N 2 1 276.424 2.082 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CCC(CO)CC1 ZINC000305626381 379721614 /nfs/dbraw/zinc/72/16/14/379721614.db2.gz KNIPRYNWUYJTJE-UHFFFAOYSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CCC(CO)CC1 ZINC000305626381 379721620 /nfs/dbraw/zinc/72/16/20/379721620.db2.gz KNIPRYNWUYJTJE-UHFFFAOYSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000305649546 379724217 /nfs/dbraw/zinc/72/42/17/379724217.db2.gz TXFWNRQJTKXGMA-DZGCQCFKSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000305649546 379724224 /nfs/dbraw/zinc/72/42/24/379724224.db2.gz TXFWNRQJTKXGMA-DZGCQCFKSA-N 2 1 265.401 2.207 20 0 CEADMP CCc1cc(CCC[NH+]2CC[C@H](C[N@@H+](C)CC)C2)on1 ZINC000347732204 218337866 /nfs/dbraw/zinc/33/78/66/218337866.db2.gz BIHULRPGAUVFQB-CQSZACIVSA-N 2 1 279.428 2.443 20 0 CEADMP CCc1cc(CCC[NH+]2CC[C@H](C[N@H+](C)CC)C2)on1 ZINC000347732204 218337867 /nfs/dbraw/zinc/33/78/67/218337867.db2.gz BIHULRPGAUVFQB-CQSZACIVSA-N 2 1 279.428 2.443 20 0 CEADMP CCc1cc(CCC[N@H+]2CC[C@H](C[NH+](C)CC)C2)on1 ZINC000347732204 218337868 /nfs/dbraw/zinc/33/78/68/218337868.db2.gz BIHULRPGAUVFQB-CQSZACIVSA-N 2 1 279.428 2.443 20 0 CEADMP CCc1cc(CCC[N@@H+]2CC[C@H](C[NH+](C)CC)C2)on1 ZINC000347732204 218337870 /nfs/dbraw/zinc/33/78/70/218337870.db2.gz BIHULRPGAUVFQB-CQSZACIVSA-N 2 1 279.428 2.443 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC000267534404 190336444 /nfs/dbraw/zinc/33/64/44/190336444.db2.gz UUVFAWDESQTWDM-HOCLYGCPSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC000267534404 190336445 /nfs/dbraw/zinc/33/64/45/190336445.db2.gz UUVFAWDESQTWDM-HOCLYGCPSA-N 2 1 276.424 2.400 20 0 CEADMP CC[NH+]1CCC(NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000528015907 379878575 /nfs/dbraw/zinc/87/85/75/379878575.db2.gz ZXXDRQFDEHEKMQ-INIZCTEOSA-N 2 1 265.445 2.077 20 0 CEADMP C/C(Cl)=C\C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000528421433 379966752 /nfs/dbraw/zinc/96/67/52/379966752.db2.gz ODVVDDCTTFAAAW-DPWWTYLGSA-N 2 1 272.820 2.313 20 0 CEADMP C/C(Cl)=C\C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000528421433 379966756 /nfs/dbraw/zinc/96/67/56/379966756.db2.gz ODVVDDCTTFAAAW-DPWWTYLGSA-N 2 1 272.820 2.313 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528594278 380026854 /nfs/dbraw/zinc/02/68/54/380026854.db2.gz LMIFHDANNMDANL-UHFFFAOYSA-N 2 1 299.422 2.337 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528594278 380026861 /nfs/dbraw/zinc/02/68/61/380026861.db2.gz LMIFHDANNMDANL-UHFFFAOYSA-N 2 1 299.422 2.337 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000347917624 218399230 /nfs/dbraw/zinc/39/92/30/218399230.db2.gz QACYJGLZAQFVRZ-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CO)C1CCCCC1 ZINC000542912472 380322139 /nfs/dbraw/zinc/32/21/39/380322139.db2.gz LMOIABDHLMTKOH-OAHLLOKOSA-N 2 1 265.401 2.112 20 0 CEADMP C[N@H+]1CCC[C@@]2(CCN(Cc3cnc4ccccn34)C2)C1 ZINC000334344946 380276593 /nfs/dbraw/zinc/27/65/93/380276593.db2.gz TXFIOYJOBUKNAY-QGZVFWFLSA-N 2 1 284.407 2.252 20 0 CEADMP C[N@@H+](CCC(=O)NC[C@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000546723378 380416306 /nfs/dbraw/zinc/41/63/06/380416306.db2.gz PWDLZITVVOJMOW-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](CCC(=O)NC[C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000546723378 380416310 /nfs/dbraw/zinc/41/63/10/380416310.db2.gz PWDLZITVVOJMOW-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](CCC(=O)NC[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000546723378 380416314 /nfs/dbraw/zinc/41/63/14/380416314.db2.gz PWDLZITVVOJMOW-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547733014 380462364 /nfs/dbraw/zinc/46/23/64/380462364.db2.gz JRKPJGPCNLCGCT-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000334530020 380539647 /nfs/dbraw/zinc/53/96/47/380539647.db2.gz FXTSWILFCKPEKL-INIZCTEOSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000334530020 380539654 /nfs/dbraw/zinc/53/96/54/380539654.db2.gz FXTSWILFCKPEKL-INIZCTEOSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H](O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551086996 380635937 /nfs/dbraw/zinc/63/59/37/380635937.db2.gz JOEFKXJEZHBIMS-KBMXLJTQSA-N 2 1 262.397 2.182 20 0 CEADMP C[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551086996 380635945 /nfs/dbraw/zinc/63/59/45/380635945.db2.gz JOEFKXJEZHBIMS-KBMXLJTQSA-N 2 1 262.397 2.182 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000549840613 380612416 /nfs/dbraw/zinc/61/24/16/380612416.db2.gz LWQRTHDFQYKPSK-IAGOWNOFSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC[C@@]2(CCN(CC[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000549840613 380612423 /nfs/dbraw/zinc/61/24/23/380612423.db2.gz LWQRTHDFQYKPSK-IAGOWNOFSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC[C@@]2(CCN(CC[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000549840613 380612432 /nfs/dbraw/zinc/61/24/32/380612432.db2.gz LWQRTHDFQYKPSK-IAGOWNOFSA-N 2 1 279.472 2.279 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCCC[NH+](C)C ZINC000552115488 380684321 /nfs/dbraw/zinc/68/43/21/380684321.db2.gz CJGBFWXIPBTQHR-INIZCTEOSA-N 2 1 297.487 2.489 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOCC(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000552227659 380696086 /nfs/dbraw/zinc/69/60/86/380696086.db2.gz ZESVZDAJJNEZLU-AGIUHOORSA-N 2 1 294.361 2.418 20 0 CEADMP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000552248741 380697570 /nfs/dbraw/zinc/69/75/70/380697570.db2.gz RERAQIGDYYKVFH-YNEHKIRRSA-N 2 1 265.426 2.414 20 0 CEADMP Cc1cnc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000552248741 380697574 /nfs/dbraw/zinc/69/75/74/380697574.db2.gz RERAQIGDYYKVFH-YNEHKIRRSA-N 2 1 265.426 2.414 20 0 CEADMP C[NH+](C)CCCCC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000552370187 380701191 /nfs/dbraw/zinc/70/11/91/380701191.db2.gz VSUKUJXDWAPUGH-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000556049107 380864512 /nfs/dbraw/zinc/86/45/12/380864512.db2.gz UXNKTGSXJOAQCO-CQSZACIVSA-N 2 1 272.396 2.383 20 0 CEADMP C[N@@H+]1CC=C(CNCc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000556090234 380870539 /nfs/dbraw/zinc/87/05/39/380870539.db2.gz NGKBAZFIDUMPOW-UHFFFAOYSA-N 2 1 282.391 2.428 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000556090234 380870559 /nfs/dbraw/zinc/87/05/59/380870559.db2.gz NGKBAZFIDUMPOW-UHFFFAOYSA-N 2 1 282.391 2.428 20 0 CEADMP Cn1cncc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556177823 380880662 /nfs/dbraw/zinc/88/06/62/380880662.db2.gz NSCWGPDAEXWXAZ-FUHWJXTLSA-N 2 1 298.434 2.388 20 0 CEADMP Cn1cncc1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556177823 380880673 /nfs/dbraw/zinc/88/06/73/380880673.db2.gz NSCWGPDAEXWXAZ-FUHWJXTLSA-N 2 1 298.434 2.388 20 0 CEADMP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)CC(C)C ZINC000493339978 380934389 /nfs/dbraw/zinc/93/43/89/380934389.db2.gz YMLIZMALANLIHX-QLFBSQMISA-N 2 1 299.459 2.077 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000353750894 220304878 /nfs/dbraw/zinc/30/48/78/220304878.db2.gz ORRRKQKMZBUQTQ-CJNGLKHVSA-N 2 1 289.423 2.090 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000353750894 220304880 /nfs/dbraw/zinc/30/48/80/220304880.db2.gz ORRRKQKMZBUQTQ-CJNGLKHVSA-N 2 1 289.423 2.090 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000353750894 220304882 /nfs/dbraw/zinc/30/48/82/220304882.db2.gz ORRRKQKMZBUQTQ-CJNGLKHVSA-N 2 1 289.423 2.090 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000353750894 220304885 /nfs/dbraw/zinc/30/48/85/220304885.db2.gz ORRRKQKMZBUQTQ-CJNGLKHVSA-N 2 1 289.423 2.090 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(N)=O)c2)C[C@H]1C ZINC000353753669 220305177 /nfs/dbraw/zinc/30/51/77/220305177.db2.gz XJVYVSIUXPDTAA-CZUORRHYSA-N 2 1 289.423 2.090 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(N)=O)c2)C[C@H]1C ZINC000353753669 220305182 /nfs/dbraw/zinc/30/51/82/220305182.db2.gz XJVYVSIUXPDTAA-CZUORRHYSA-N 2 1 289.423 2.090 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(N)=O)c2)C[C@H]1C ZINC000353753669 220305184 /nfs/dbraw/zinc/30/51/84/220305184.db2.gz XJVYVSIUXPDTAA-CZUORRHYSA-N 2 1 289.423 2.090 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(N)=O)c2)C[C@H]1C ZINC000353753669 220305189 /nfs/dbraw/zinc/30/51/89/220305189.db2.gz XJVYVSIUXPDTAA-CZUORRHYSA-N 2 1 289.423 2.090 20 0 CEADMP COC(=O)[C@@]1(C)CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000412079918 533116191 /nfs/dbraw/zinc/11/61/91/533116191.db2.gz VKLPGXXJACCSQY-INIZCTEOSA-N 2 1 293.411 2.247 20 0 CEADMP COC(=O)[C@@]1(C)CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000412079918 533116193 /nfs/dbraw/zinc/11/61/93/533116193.db2.gz VKLPGXXJACCSQY-INIZCTEOSA-N 2 1 293.411 2.247 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000311676814 285192407 /nfs/dbraw/zinc/19/24/07/285192407.db2.gz BRJSCQGPCZYKTJ-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC000246485761 285238526 /nfs/dbraw/zinc/23/85/26/285238526.db2.gz RPIYCIUVOMFJKE-GDBMZVCRSA-N 2 1 268.445 2.369 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1(C)CC1 ZINC000345786132 285243067 /nfs/dbraw/zinc/24/30/67/285243067.db2.gz ZMCVRYRGYRVQKR-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131910571 285262044 /nfs/dbraw/zinc/26/20/44/285262044.db2.gz NGOPHNSWOZEWNR-UHOFOFEASA-N 2 1 259.397 2.205 20 0 CEADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCC[NH+](C)C ZINC000281256584 195170123 /nfs/dbraw/zinc/17/01/23/195170123.db2.gz OHXPPWWVRJNNKK-AWEZNQCLSA-N 2 1 266.360 2.363 20 0 CEADMP OC[C@]1([NH2+]CCC[NH+]2CCCCC2)CCc2ccccc21 ZINC000161965293 285297109 /nfs/dbraw/zinc/29/71/09/285297109.db2.gz QCULMPNHGYTXRE-GOSISDBHSA-N 2 1 288.435 2.286 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)C(C)(C)C)C[C@H]1C ZINC000336787159 285397070 /nfs/dbraw/zinc/39/70/70/285397070.db2.gz KUSLBMPVZQZCDS-RDBSUJKOSA-N 2 1 256.434 2.198 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)C(C)(C)C)C[C@H]1C ZINC000336787159 285397071 /nfs/dbraw/zinc/39/70/71/285397071.db2.gz KUSLBMPVZQZCDS-RDBSUJKOSA-N 2 1 256.434 2.198 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)C(C)(C)C)C[C@H]1C ZINC000336787159 285397073 /nfs/dbraw/zinc/39/70/73/285397073.db2.gz KUSLBMPVZQZCDS-RDBSUJKOSA-N 2 1 256.434 2.198 20 0 CEADMP CCC(CC)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000221976452 394462649 /nfs/dbraw/zinc/46/26/49/394462649.db2.gz ABXGBJWSZLYPPX-IMJJTQAJSA-N 2 1 269.477 2.425 20 0 CEADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC[NH3+] ZINC000237519634 394491758 /nfs/dbraw/zinc/49/17/58/394491758.db2.gz SHGSOVITRQSEOI-AWEZNQCLSA-N 2 1 289.423 2.026 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000305142771 394495499 /nfs/dbraw/zinc/49/54/99/394495499.db2.gz QRSBWNQFPPWNAN-LXTVHRRPSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000305759265 394512178 /nfs/dbraw/zinc/51/21/78/394512178.db2.gz IEHJZDASWCKFTC-ZFWWWQNUSA-N 2 1 295.402 2.108 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000070356260 394586561 /nfs/dbraw/zinc/58/65/61/394586561.db2.gz VJBBSSFGXXAGDN-HOCLYGCPSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCOC(C)(C)C)CC[C@H]21 ZINC000248181497 394537891 /nfs/dbraw/zinc/53/78/91/394537891.db2.gz WNIUIXDWLJBWHH-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCOC(C)(C)C)CC[C@H]21 ZINC000248181497 394537892 /nfs/dbraw/zinc/53/78/92/394537892.db2.gz WNIUIXDWLJBWHH-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOC(C)(C)C)CC[C@H]21 ZINC000248181497 394537895 /nfs/dbraw/zinc/53/78/95/394537895.db2.gz WNIUIXDWLJBWHH-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP Fc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1F ZINC000311690956 394538406 /nfs/dbraw/zinc/53/84/06/394538406.db2.gz KIDXCNPCEWNDLF-TXEJJXNPSA-N 2 1 266.335 2.396 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421819694 394604871 /nfs/dbraw/zinc/60/48/71/394604871.db2.gz IMPVLKMIYWJREM-ZBFHGGJFSA-N 2 1 273.424 2.260 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000356782656 394612107 /nfs/dbraw/zinc/61/21/07/394612107.db2.gz TWMVQSOCMBAXIT-LSDHHAIUSA-N 2 1 283.460 2.096 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422708144 394730775 /nfs/dbraw/zinc/73/07/75/394730775.db2.gz XCAACSDHUPVOKX-KKUMJFAQSA-N 2 1 254.418 2.048 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422712351 394734101 /nfs/dbraw/zinc/73/41/01/394734101.db2.gz OAKSMUHQJIXSAX-HOTGVXAUSA-N 3 1 269.477 2.476 20 0 CEADMP COc1cccc(N2CC[C@H]([NH2+][C@@H](C)[C@H]3CCC[NH2+]3)C2)c1 ZINC000422715103 394736329 /nfs/dbraw/zinc/73/63/29/394736329.db2.gz RPMOYROMQAWFRI-GRDNDAEWSA-N 2 1 289.423 2.004 20 0 CEADMP CC[N@@H+](C)CCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422721427 394740410 /nfs/dbraw/zinc/74/04/10/394740410.db2.gz VJYOHMGNPSEMGW-JKSUJKDBSA-N 2 1 261.413 2.021 20 0 CEADMP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422722844 394740546 /nfs/dbraw/zinc/74/05/46/394740546.db2.gz PXGHLCOTXRSPRU-BZSNNMDCSA-N 3 1 291.483 2.371 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2Cc3ccccc3C2)CC[N@H+]1C ZINC000334319779 394673995 /nfs/dbraw/zinc/67/39/95/394673995.db2.gz UWORCHVNGAKVHC-DYVFJYSZSA-N 2 1 258.409 2.474 20 0 CEADMP CN(C)C(=O)CC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000358068810 394709080 /nfs/dbraw/zinc/70/90/80/394709080.db2.gz WWLJPLWEUSCBLJ-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCOc3c(F)cccc3C2)CC[NH2+]1 ZINC000334817811 394713051 /nfs/dbraw/zinc/71/30/51/394713051.db2.gz KAWJUVXJMFYQKU-QWHCGFSZSA-N 2 1 278.371 2.408 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)c2ccccc21 ZINC000358250246 394713531 /nfs/dbraw/zinc/71/35/31/394713531.db2.gz LERNNWZEFAHYLP-XYPHTWIQSA-N 2 1 274.408 2.281 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c2ccccc21 ZINC000358250246 394713532 /nfs/dbraw/zinc/71/35/32/394713532.db2.gz LERNNWZEFAHYLP-XYPHTWIQSA-N 2 1 274.408 2.281 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000414160762 394719637 /nfs/dbraw/zinc/71/96/37/394719637.db2.gz ZZKZVXPXKCJNIZ-ZIAGYGMSSA-N 2 1 279.428 2.341 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000414693168 394747892 /nfs/dbraw/zinc/74/78/92/394747892.db2.gz DWUZFBTVYDISJO-OAGGEKHMSA-N 2 1 267.461 2.307 20 0 CEADMP c1cn2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)nc2s1 ZINC000422702594 394727752 /nfs/dbraw/zinc/72/77/52/394727752.db2.gz LEJLMCXIQZBTBN-BFHYXJOUSA-N 2 1 290.436 2.406 20 0 CEADMP CN(C)Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1F ZINC000422739935 394750667 /nfs/dbraw/zinc/75/06/67/394750667.db2.gz AUGDRGBCFMGGFG-RHSMWYFYSA-N 2 1 293.430 2.494 20 0 CEADMP C[C@H]1C[C@@H](C[NH+]2CCN(C3CCCCC3)CC2)CC[NH2+]1 ZINC000335248623 394752899 /nfs/dbraw/zinc/75/28/99/394752899.db2.gz LNCUCHXZLXDYBF-HOTGVXAUSA-N 2 1 279.472 2.325 20 0 CEADMP COc1ccc(OC)c(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000414823074 394753446 /nfs/dbraw/zinc/75/34/46/394753446.db2.gz ARSIABZRSZVBRZ-STQMWFEESA-N 2 1 278.396 2.182 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)cc2F)CC12CCOCC2 ZINC000335254512 394753935 /nfs/dbraw/zinc/75/39/35/394753935.db2.gz XASHAMXDQUCJCB-CYBMUJFWSA-N 2 1 296.361 2.152 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)CC12CCOCC2 ZINC000335254512 394753938 /nfs/dbraw/zinc/75/39/38/394753938.db2.gz XASHAMXDQUCJCB-CYBMUJFWSA-N 2 1 296.361 2.152 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422747617 394756723 /nfs/dbraw/zinc/75/67/23/394756723.db2.gz ZBWPVFHYYKHDNH-OAGGEKHMSA-N 2 1 267.461 2.358 20 0 CEADMP CCCCNC(=O)CC[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000116279750 394757417 /nfs/dbraw/zinc/75/74/17/394757417.db2.gz UQPYRBXAEBLVNF-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP CCOc1c(OC)cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1OC ZINC000422838498 394822425 /nfs/dbraw/zinc/82/24/25/394822425.db2.gz OPLYGVQFGOLBJF-CHWSQXEVSA-N 2 1 294.395 2.072 20 0 CEADMP C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422751508 394758713 /nfs/dbraw/zinc/75/87/13/394758713.db2.gz CUOSERRVWZBJMC-NXHRZFHOSA-N 2 1 287.451 2.381 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414835340 394760957 /nfs/dbraw/zinc/76/09/57/394760957.db2.gz IJULUHJEAJQCAX-UXLLHSPISA-N 2 1 275.440 2.267 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000414835340 394760961 /nfs/dbraw/zinc/76/09/61/394760961.db2.gz IJULUHJEAJQCAX-UXLLHSPISA-N 2 1 275.440 2.267 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414835344 394761021 /nfs/dbraw/zinc/76/10/21/394761021.db2.gz IJULUHJEAJQCAX-ZMSDIMECSA-N 2 1 275.440 2.267 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000414835344 394761025 /nfs/dbraw/zinc/76/10/25/394761025.db2.gz IJULUHJEAJQCAX-ZMSDIMECSA-N 2 1 275.440 2.267 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)C1CCCCC1 ZINC000414836281 394762645 /nfs/dbraw/zinc/76/26/45/394762645.db2.gz IKCJHTVDQIBORO-KRWDZBQOSA-N 2 1 299.422 2.265 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1CCC[NH2+]1 ZINC000414840709 394764325 /nfs/dbraw/zinc/76/43/25/394764325.db2.gz HCCPCRLUJQWITN-KRWDZBQOSA-N 2 1 289.467 2.486 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000414846248 394767700 /nfs/dbraw/zinc/76/77/00/394767700.db2.gz ULMQUBTYNCKYQV-SNVBAGLBSA-N 2 1 255.431 2.386 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000414852958 394771652 /nfs/dbraw/zinc/77/16/52/394771652.db2.gz XAZYNUNNWJSDRZ-ZDUSSCGKSA-N 2 1 250.386 2.215 20 0 CEADMP COc1ccc(Cl)cc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422773327 394774332 /nfs/dbraw/zinc/77/43/32/394774332.db2.gz YIZVZKBLHQVKNT-SECBINFHSA-N 2 1 254.761 2.046 20 0 CEADMP Cc1ccc([C@H](CN[C@@H](C)C[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000422778373 394777626 /nfs/dbraw/zinc/77/76/26/394777626.db2.gz HIJQTBIFPAUPQB-YCPHGPKFSA-N 2 1 263.429 2.313 20 0 CEADMP COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422779117 394778605 /nfs/dbraw/zinc/77/86/05/394778605.db2.gz BLEWJRDNIJFPNW-BFHYXJOUSA-N 2 1 278.396 2.193 20 0 CEADMP C[C@@H]([NH2+]CCCOc1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000422782059 394780976 /nfs/dbraw/zinc/78/09/76/394780976.db2.gz MOTIRMRKQGHBGV-IUODEOHRSA-N 2 1 266.360 2.325 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422784210 394783027 /nfs/dbraw/zinc/78/30/27/394783027.db2.gz NSNNRNZXQWNHOM-CABCVRRESA-N 3 1 264.417 2.079 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000360034273 394784287 /nfs/dbraw/zinc/78/42/87/394784287.db2.gz BSBGQAKAHOULRS-LTIDMASMSA-N 2 1 296.455 2.035 20 0 CEADMP COc1ccc(O[C@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422795782 394792593 /nfs/dbraw/zinc/79/25/93/394792593.db2.gz WPWSSJABVNMDAB-IOASZLSFSA-N 2 1 278.396 2.193 20 0 CEADMP COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422796910 394793655 /nfs/dbraw/zinc/79/36/55/394793655.db2.gz ZJEJNURMDWEPQT-HEHGZKQESA-N 2 1 278.396 2.193 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1ccc(F)c2cccnc12)C1CC1 ZINC000414895328 394794045 /nfs/dbraw/zinc/79/40/45/394794045.db2.gz NCFDAZGAGZPESD-AWEZNQCLSA-N 2 1 259.328 2.201 20 0 CEADMP C[C@@]1(C[NH2+]Cc2ccc(F)c(F)c2)CCC[NH2+]C1 ZINC000414899102 394794604 /nfs/dbraw/zinc/79/46/04/394794604.db2.gz GWDPZODEZBRAFJ-CQSZACIVSA-N 2 1 254.324 2.444 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(C)C ZINC000121620223 394802270 /nfs/dbraw/zinc/80/22/70/394802270.db2.gz QZSOZLFINWXXNK-ZNMIVQPWSA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(C)C ZINC000121620223 394802271 /nfs/dbraw/zinc/80/22/71/394802271.db2.gz QZSOZLFINWXXNK-ZNMIVQPWSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000422810440 394802960 /nfs/dbraw/zinc/80/29/60/394802960.db2.gz UDMOUBFMUGXDMG-HOCLYGCPSA-N 2 1 267.461 2.229 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000422813172 394804983 /nfs/dbraw/zinc/80/49/83/394804983.db2.gz XQOZWINQZFHXMZ-FUHWJXTLSA-N 2 1 287.451 2.152 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000422813172 394804989 /nfs/dbraw/zinc/80/49/89/394804989.db2.gz XQOZWINQZFHXMZ-FUHWJXTLSA-N 2 1 287.451 2.152 20 0 CEADMP C[C@H]([NH2+]CC1(CCO)CCCC1)c1c[nH+]ccc1N ZINC000422815132 394806507 /nfs/dbraw/zinc/80/65/07/394806507.db2.gz WYILPLLMFAWMMA-LBPRGKRZSA-N 2 1 263.385 2.088 20 0 CEADMP CC1([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[NH2+]CC1 ZINC000414932239 394809632 /nfs/dbraw/zinc/80/96/32/394809632.db2.gz COWWWCIULDCWAV-UHFFFAOYSA-N 2 1 296.798 2.343 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414942003 394814293 /nfs/dbraw/zinc/81/42/93/394814293.db2.gz DGYTXTLRIAGDRS-RISCZKNCSA-N 2 1 278.444 2.485 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2ccccc2)CC[NH2+]1 ZINC000414947057 394817004 /nfs/dbraw/zinc/81/70/04/394817004.db2.gz KITSEARRPXJXFF-ZIAGYGMSSA-N 2 1 270.380 2.102 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414947406 394817950 /nfs/dbraw/zinc/81/79/50/394817950.db2.gz KTUWUXVCBMQESC-FZMZJTMJSA-N 2 1 250.390 2.003 20 0 CEADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000414951352 394820060 /nfs/dbraw/zinc/82/00/60/394820060.db2.gz PTIYFVILIXLASJ-TZMCWYRMSA-N 2 1 278.396 2.324 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414952411 394821941 /nfs/dbraw/zinc/82/19/41/394821941.db2.gz QRSNBXASZGQQNB-AHCXZYCDSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414952411 394821942 /nfs/dbraw/zinc/82/19/42/394821942.db2.gz QRSNBXASZGQQNB-AHCXZYCDSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOCC(F)(F)F ZINC000422927173 394864140 /nfs/dbraw/zinc/86/41/40/394864140.db2.gz FXGSCQIESSEQBR-WCQYABFASA-N 2 1 290.329 2.113 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000129442067 394866245 /nfs/dbraw/zinc/86/62/45/394866245.db2.gz HQYZBDDEBHFDHM-DZGCQCFKSA-N 2 1 292.423 2.319 20 0 CEADMP CC(C)n1cc2c(n1)C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)CC2 ZINC000422945390 394867340 /nfs/dbraw/zinc/86/73/40/394867340.db2.gz UJXUCYVCJGWQFH-VHDGCEQUSA-N 2 1 276.428 2.051 20 0 CEADMP COc1ccc(Br)cc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422945151 394867767 /nfs/dbraw/zinc/86/77/67/394867767.db2.gz MPSIGLMZOSTKIB-VIFPVBQESA-N 2 1 299.212 2.155 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000422969740 394870312 /nfs/dbraw/zinc/87/03/12/394870312.db2.gz DMICKKREKAOGSU-KBAYOESNSA-N 2 1 289.467 2.266 20 0 CEADMP C[C@H]1C[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000129758461 394872723 /nfs/dbraw/zinc/87/27/23/394872723.db2.gz QQUUCFGPNHCADR-QWHCGFSZSA-N 2 1 267.461 2.368 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCN1C ZINC000129758461 394872727 /nfs/dbraw/zinc/87/27/27/394872727.db2.gz QQUUCFGPNHCADR-QWHCGFSZSA-N 2 1 267.461 2.368 20 0 CEADMP C[C@@H]1C[C@H](NCCC[N@@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000129773999 394872894 /nfs/dbraw/zinc/87/28/94/394872894.db2.gz LUXLAPRAZLSFKN-ARFHVFGLSA-N 3 1 267.461 2.323 20 0 CEADMP C[C@@H]1C[C@H](NCCC[NH+]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000129773999 394872901 /nfs/dbraw/zinc/87/29/01/394872901.db2.gz LUXLAPRAZLSFKN-ARFHVFGLSA-N 3 1 267.461 2.323 20 0 CEADMP C[C@@H]1C[C@H](NCCC[NH+]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000129773999 394872908 /nfs/dbraw/zinc/87/29/08/394872908.db2.gz LUXLAPRAZLSFKN-ARFHVFGLSA-N 3 1 267.461 2.323 20 0 CEADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc(OC)c1O ZINC000415069352 394873355 /nfs/dbraw/zinc/87/33/55/394873355.db2.gz SFMUAXCJJKHKAP-ZDUSSCGKSA-N 2 1 294.395 2.017 20 0 CEADMP C[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1c[nH+]ccc1N ZINC000422989935 394875307 /nfs/dbraw/zinc/87/53/07/394875307.db2.gz MQCLYWCVSRAFNO-WOSRLPQWSA-N 2 1 277.412 2.476 20 0 CEADMP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CCC[C@@H]2[NH3+])n1 ZINC000422991621 394876507 /nfs/dbraw/zinc/87/65/07/394876507.db2.gz PWOWPOHZZNTJDS-GJZGRUSLSA-N 2 1 270.380 2.150 20 0 CEADMP CCOc1cccc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422993555 394877408 /nfs/dbraw/zinc/87/74/08/394877408.db2.gz GACOAWWZPMIKCF-BBRMVZONSA-N 2 1 262.397 2.215 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422992744 394877468 /nfs/dbraw/zinc/87/74/68/394877468.db2.gz DJJYZYNLZVVDHY-OAGGEKHMSA-N 2 1 267.461 2.085 20 0 CEADMP CCc1nc(NCC[N@H+](C)C2CCCC2)cc(C)[nH+]1 ZINC000336806476 394878102 /nfs/dbraw/zinc/87/81/02/394878102.db2.gz AGZNHOVKHDDKML-UHFFFAOYSA-N 2 1 262.401 2.056 20 0 CEADMP CCc1nc(NCC[N@@H+](C)C2CCCC2)cc(C)[nH+]1 ZINC000336806476 394878104 /nfs/dbraw/zinc/87/81/04/394878104.db2.gz AGZNHOVKHDDKML-UHFFFAOYSA-N 2 1 262.401 2.056 20 0 CEADMP COc1ccccc1N1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000415081723 394880021 /nfs/dbraw/zinc/88/00/21/394880021.db2.gz KVXCIJZGLBJIOI-HNNXBMFYSA-N 2 1 289.423 2.006 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423012130 394881657 /nfs/dbraw/zinc/88/16/57/394881657.db2.gz JZLBINRWWTUJFS-QMCVQRASSA-N 2 1 273.424 2.162 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423012126 394881668 /nfs/dbraw/zinc/88/16/68/394881668.db2.gz JZLBINRWWTUJFS-HJWJTTGWSA-N 2 1 273.424 2.162 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000422847280 394826559 /nfs/dbraw/zinc/82/65/59/394826559.db2.gz RBXSGWMPLUFPKC-CVEARBPZSA-N 2 1 289.467 2.409 20 0 CEADMP Cn1nccc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000361405672 394826862 /nfs/dbraw/zinc/82/68/62/394826862.db2.gz RMPAGGMDWHWCKE-DOTOQJQBSA-N 2 1 284.407 2.203 20 0 CEADMP Cn1nccc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000361405672 394826863 /nfs/dbraw/zinc/82/68/63/394826863.db2.gz RMPAGGMDWHWCKE-DOTOQJQBSA-N 2 1 284.407 2.203 20 0 CEADMP C[C@@H](CN[C@@H](C)c1cnccc1N)[N@@H+]1CCCC[C@@H]1C ZINC000422852718 394829375 /nfs/dbraw/zinc/82/93/75/394829375.db2.gz BBGPHBFDWKEVOO-IHRRRGAJSA-N 2 1 276.428 2.408 20 0 CEADMP C[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)N(C)c1ccccc1 ZINC000422854826 394830730 /nfs/dbraw/zinc/83/07/30/394830730.db2.gz DEIDGJWUATWRAI-IIAWOOMASA-N 2 1 261.413 2.241 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)N(C)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422854828 394830759 /nfs/dbraw/zinc/83/07/59/394830759.db2.gz DEIDGJWUATWRAI-LZWOXQAQSA-N 2 1 261.413 2.241 20 0 CEADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000361511253 394831160 /nfs/dbraw/zinc/83/11/60/394831160.db2.gz QAEPWACAGLFTKC-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361511253 394831162 /nfs/dbraw/zinc/83/11/62/394831162.db2.gz QAEPWACAGLFTKC-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361511253 394831165 /nfs/dbraw/zinc/83/11/65/394831165.db2.gz QAEPWACAGLFTKC-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000422855214 394831368 /nfs/dbraw/zinc/83/13/68/394831368.db2.gz DSROEFKXPDXVRT-KLHDSHLOSA-N 2 1 267.461 2.499 20 0 CEADMP COc1ccc(C)cc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000414972103 394832541 /nfs/dbraw/zinc/83/25/41/394832541.db2.gz LYZQMQHALXUYLX-HNNXBMFYSA-N 2 1 262.397 2.481 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cn1 ZINC000414976431 394833457 /nfs/dbraw/zinc/83/34/57/394833457.db2.gz QAKWKVSENSPOOJ-CQSZACIVSA-N 2 1 276.428 2.015 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1cccc(C)c1 ZINC000414979795 394834563 /nfs/dbraw/zinc/83/45/63/394834563.db2.gz OOBBOXGGMIDARY-CQSZACIVSA-N 2 1 258.369 2.212 20 0 CEADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414979882 394835514 /nfs/dbraw/zinc/83/55/14/394835514.db2.gz VBNGTXIRAJUIQQ-XHSDSOJGSA-N 2 1 267.461 2.085 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccnc(N)c1 ZINC000278832267 394836788 /nfs/dbraw/zinc/83/67/88/394836788.db2.gz JXQODVYUYHVINK-UHFFFAOYSA-N 2 1 287.411 2.335 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccnc(N)c1 ZINC000278832267 394836795 /nfs/dbraw/zinc/83/67/95/394836795.db2.gz JXQODVYUYHVINK-UHFFFAOYSA-N 2 1 287.411 2.335 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422866014 394838055 /nfs/dbraw/zinc/83/80/55/394838055.db2.gz ZVYTYXXWTIBOOH-UONOGXRCSA-N 3 1 253.434 2.110 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000422866014 394838058 /nfs/dbraw/zinc/83/80/58/394838058.db2.gz ZVYTYXXWTIBOOH-UONOGXRCSA-N 3 1 253.434 2.110 20 0 CEADMP C[C@H]([NH2+]C[C@]1(C)CCCS1)c1c[nH+]ccc1N ZINC000422869910 394840533 /nfs/dbraw/zinc/84/05/33/394840533.db2.gz BAOPLBIXSPSZNI-GWCFXTLKSA-N 2 1 251.399 2.430 20 0 CEADMP CCCOc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1OC ZINC000415005624 394845485 /nfs/dbraw/zinc/84/54/85/394845485.db2.gz JGKKPHWTXXMMHR-VXGBXAGGSA-N 2 1 266.385 2.309 20 0 CEADMP C[C@H](O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000280935552 394852147 /nfs/dbraw/zinc/85/21/47/394852147.db2.gz HLPQXKNQGYUXBF-OOHWJJMZSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000422895435 394853779 /nfs/dbraw/zinc/85/37/79/394853779.db2.gz VZHYXVNEKQJZOB-PVAVHDDUSA-N 2 1 281.488 2.475 20 0 CEADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C(C)C ZINC000128487874 394854616 /nfs/dbraw/zinc/85/46/16/394854616.db2.gz BSYBGPCVMWNKRU-HNNXBMFYSA-N 2 1 255.450 2.038 20 0 CEADMP CC(C)Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415029804 394854932 /nfs/dbraw/zinc/85/49/32/394854932.db2.gz BPHVNCRZSXSDPX-QGZVFWFLSA-N 2 1 276.424 2.353 20 0 CEADMP CC(C)C[C@@H](C)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000337135876 394884467 /nfs/dbraw/zinc/88/44/67/394884467.db2.gz CBZASMYFFHXBMQ-OAHLLOKOSA-N 2 1 270.461 2.447 20 0 CEADMP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415038943 394859584 /nfs/dbraw/zinc/85/95/84/394859584.db2.gz MOICLYFIYQEQTF-AWEZNQCLSA-N 2 1 282.815 2.425 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCNc1ccccc1F ZINC000423026420 394884544 /nfs/dbraw/zinc/88/45/44/394884544.db2.gz BECTYPKDPCWXMW-WFASDCNBSA-N 2 1 265.376 2.215 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000415088661 394884586 /nfs/dbraw/zinc/88/45/86/394884586.db2.gz WPBUTVGIURDDLY-KRWDZBQOSA-N 2 1 286.423 2.394 20 0 CEADMP c1cncc(C[NH2+]CCC[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000423190653 394887386 /nfs/dbraw/zinc/88/73/86/394887386.db2.gz RHCHVWICFONPJV-CVEARBPZSA-N 2 1 259.397 2.340 20 0 CEADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CCOCC3)CC[NH2+]2)cc1 ZINC000415097758 394888888 /nfs/dbraw/zinc/88/88/88/394888888.db2.gz DISSVWUJHOPRSW-IAGOWNOFSA-N 2 1 274.408 2.496 20 0 CEADMP CCCCOc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415103614 394891632 /nfs/dbraw/zinc/89/16/32/394891632.db2.gz CODNPQZZWMMEDY-QGZVFWFLSA-N 2 1 292.423 2.415 20 0 CEADMP CCCCOc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415103614 394891634 /nfs/dbraw/zinc/89/16/34/394891634.db2.gz CODNPQZZWMMEDY-QGZVFWFLSA-N 2 1 292.423 2.415 20 0 CEADMP CCCc1cccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000415106120 394892095 /nfs/dbraw/zinc/89/20/95/394892095.db2.gz JGBPTSQMMHHJSX-MRXNPFEDSA-N 2 1 262.397 2.189 20 0 CEADMP CCCc1cccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000415106120 394892099 /nfs/dbraw/zinc/89/20/99/394892099.db2.gz JGBPTSQMMHHJSX-MRXNPFEDSA-N 2 1 262.397 2.189 20 0 CEADMP O=C1CC[C@@H]([NH2+]CCC[NH2+]C2CC2)c2cc(F)ccc2N1 ZINC000423570892 394953548 /nfs/dbraw/zinc/95/35/48/394953548.db2.gz XGZDDUUGJVJVDP-CQSZACIVSA-N 2 1 291.370 2.331 20 0 CEADMP Cc1cc(C)cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415124324 394897673 /nfs/dbraw/zinc/89/76/73/394897673.db2.gz KCZWFNBTXMZRMY-KRWDZBQOSA-N 2 1 299.422 2.191 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000415128231 394898976 /nfs/dbraw/zinc/89/89/76/394898976.db2.gz SPGFJNJJOQURJK-SRABZTEZSA-N 2 1 274.408 2.182 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1O ZINC000423365256 394902375 /nfs/dbraw/zinc/90/23/75/394902375.db2.gz WIQQIUIGHZOUQQ-WCQYABFASA-N 2 1 264.369 2.194 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000415140318 394902374 /nfs/dbraw/zinc/90/23/74/394902374.db2.gz YQWYCFDTPIUETB-UHFFFAOYSA-N 2 1 272.339 2.372 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000415140318 394902377 /nfs/dbraw/zinc/90/23/77/394902377.db2.gz YQWYCFDTPIUETB-UHFFFAOYSA-N 2 1 272.339 2.372 20 0 CEADMP CCOCCO[C@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000131130030 394903062 /nfs/dbraw/zinc/90/30/62/394903062.db2.gz CDWSSWDTQVMJDK-INIZCTEOSA-N 2 1 295.427 2.099 20 0 CEADMP CCOCCO[C@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000131130030 394903066 /nfs/dbraw/zinc/90/30/66/394903066.db2.gz CDWSSWDTQVMJDK-INIZCTEOSA-N 2 1 295.427 2.099 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000364476421 394907722 /nfs/dbraw/zinc/90/77/22/394907722.db2.gz DRDNRRHZYGPIMI-CVEARBPZSA-N 2 1 295.471 2.003 20 0 CEADMP CCC(C)(C)[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338269031 394909612 /nfs/dbraw/zinc/90/96/12/394909612.db2.gz CJHBFZKAXDFRNR-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC(C)(C)[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338269031 394909616 /nfs/dbraw/zinc/90/96/16/394909616.db2.gz CJHBFZKAXDFRNR-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)s1 ZINC000423387301 394910108 /nfs/dbraw/zinc/91/01/08/394910108.db2.gz RWVRSKKPLOCYRW-NTZNESFSSA-N 2 1 297.468 2.432 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cn1 ZINC000423391847 394911070 /nfs/dbraw/zinc/91/10/70/394911070.db2.gz LENHZQMTLXECFV-OBJOEFQTSA-N 2 1 250.390 2.113 20 0 CEADMP CCC(CC)[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(C)C ZINC000338311435 394913594 /nfs/dbraw/zinc/91/35/94/394913594.db2.gz CZXSVFMJXFJPLM-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP CCC(CC)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(C)C ZINC000338311435 394913596 /nfs/dbraw/zinc/91/35/96/394913596.db2.gz CZXSVFMJXFJPLM-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C12CCC2 ZINC000423398755 394914624 /nfs/dbraw/zinc/91/46/24/394914624.db2.gz VLUPDILOLMYVHN-XDQVBPFNSA-N 2 1 252.402 2.064 20 0 CEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)c(Br)c1 ZINC000423430214 394920606 /nfs/dbraw/zinc/92/06/06/394920606.db2.gz KRTWCMOJWVAJDO-UFAOYGAJSA-N 2 1 299.187 2.457 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423484643 394931236 /nfs/dbraw/zinc/93/12/36/394931236.db2.gz AFAZRBSIIDHEBJ-JKSUJKDBSA-N 2 1 262.397 2.496 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1C ZINC000423500072 394937245 /nfs/dbraw/zinc/93/72/45/394937245.db2.gz CSRQUOMJFHDLAP-HOCLYGCPSA-N 2 1 262.397 2.333 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1 ZINC000423500159 394937464 /nfs/dbraw/zinc/93/74/64/394937464.db2.gz CUDDDEFPNIKLPT-SMDDNHRTSA-N 2 1 268.788 2.369 20 0 CEADMP CCc1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)o1 ZINC000132808510 394937883 /nfs/dbraw/zinc/93/78/83/394937883.db2.gz VRZBEIANYVERSG-UHFFFAOYSA-N 2 1 293.455 2.205 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C[C@@]1(C)C[NH3+] ZINC000423505245 394939639 /nfs/dbraw/zinc/93/96/39/394939639.db2.gz GWRYQCFYVWCWKP-DGADGQDISA-N 2 1 278.440 2.251 20 0 CEADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@H]1CC1(C)C ZINC000423506262 394939653 /nfs/dbraw/zinc/93/96/53/394939653.db2.gz IAORNFCKHXCKTE-PRLABOORSA-N 2 1 279.472 2.227 20 0 CEADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423506525 394940301 /nfs/dbraw/zinc/94/03/01/394940301.db2.gz HBTOYTFZXMDSOL-WBVHZDCISA-N 2 1 290.407 2.041 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCC2 ZINC000423522909 394943812 /nfs/dbraw/zinc/94/38/12/394943812.db2.gz RXMXUMRZBKBKOU-RDJZCZTQSA-N 2 1 290.407 2.041 20 0 CEADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C[N@H+](C)C(C)C)cc1 ZINC000151940079 394982063 /nfs/dbraw/zinc/98/20/63/394982063.db2.gz DOKJVTPHJZDHIE-INIZCTEOSA-N 2 1 291.439 2.266 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)C[C@@H]1c1ccccc1 ZINC000340397788 394985126 /nfs/dbraw/zinc/98/51/26/394985126.db2.gz VTKYEUVGPKHLAX-DLBZAZTESA-N 2 1 284.407 2.377 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)C[C@@H]1c1ccccc1 ZINC000340397788 394985132 /nfs/dbraw/zinc/98/51/32/394985132.db2.gz VTKYEUVGPKHLAX-DLBZAZTESA-N 2 1 284.407 2.377 20 0 CEADMP CC(C)SCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000368485610 394987205 /nfs/dbraw/zinc/98/72/05/394987205.db2.gz WUTSCLLRTSILHB-QLFBSQMISA-N 2 1 286.485 2.312 20 0 CEADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369020636 394994683 /nfs/dbraw/zinc/99/46/83/394994683.db2.gz ZOHHPBHDIWSFCA-MWDXBVQZSA-N 2 1 278.440 2.432 20 0 CEADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369020636 394994689 /nfs/dbraw/zinc/99/46/89/394994689.db2.gz ZOHHPBHDIWSFCA-MWDXBVQZSA-N 2 1 278.440 2.432 20 0 CEADMP CN(CC(=O)N(C)C1CCCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152397372 394996255 /nfs/dbraw/zinc/99/62/55/394996255.db2.gz NWQKYPUCBGFLCJ-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000371403563 395028494 /nfs/dbraw/zinc/02/84/94/395028494.db2.gz UMHHPYOGMAYTNJ-GJZGRUSLSA-N 2 1 274.408 2.436 20 0 CEADMP CC1(C[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)COC1 ZINC000370566876 395009438 /nfs/dbraw/zinc/00/94/38/395009438.db2.gz BRSQTMSCYRJKMB-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C)c1 ZINC000286084746 395010336 /nfs/dbraw/zinc/01/03/36/395010336.db2.gz MLNDFVHVELVOBE-IRXDYDNUSA-N 2 1 276.424 2.492 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000343937716 395046703 /nfs/dbraw/zinc/04/67/03/395046703.db2.gz QAYVMZCWQHJGGA-OFQRWUPVSA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000343937716 395046706 /nfs/dbraw/zinc/04/67/06/395046706.db2.gz QAYVMZCWQHJGGA-OFQRWUPVSA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000343937716 395046710 /nfs/dbraw/zinc/04/67/10/395046710.db2.gz QAYVMZCWQHJGGA-OFQRWUPVSA-N 2 1 267.461 2.179 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)C2CCCCC2)CC1 ZINC000372992830 395051185 /nfs/dbraw/zinc/05/11/85/395051185.db2.gz ZLXPAJKIAMBZOE-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1(C)C ZINC000344328743 395053895 /nfs/dbraw/zinc/05/38/95/395053895.db2.gz MJBFEJNUJDBJRS-ZIAGYGMSSA-N 2 1 252.402 2.042 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158822977 395054647 /nfs/dbraw/zinc/05/46/47/395054647.db2.gz SCIZWJMVBCKQAS-CZUORRHYSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158822977 395054649 /nfs/dbraw/zinc/05/46/49/395054649.db2.gz SCIZWJMVBCKQAS-CZUORRHYSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1noc(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158822977 395054651 /nfs/dbraw/zinc/05/46/51/395054651.db2.gz SCIZWJMVBCKQAS-CZUORRHYSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1noc(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158822977 395054655 /nfs/dbraw/zinc/05/46/55/395054655.db2.gz SCIZWJMVBCKQAS-CZUORRHYSA-N 2 1 277.412 2.462 20 0 CEADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C2 ZINC000425926998 395069808 /nfs/dbraw/zinc/06/98/08/395069808.db2.gz PUOZSEMXBORKMS-NVXWUHKLSA-N 2 1 288.435 2.482 20 0 CEADMP CCCCNC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374177862 395075991 /nfs/dbraw/zinc/07/59/91/395075991.db2.gz OCVXYYZWYNNGQU-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426914328 395085616 /nfs/dbraw/zinc/08/56/16/395085616.db2.gz PDOKLBNHDIQHAG-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1ncsc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158124662 395038659 /nfs/dbraw/zinc/03/86/59/395038659.db2.gz VJGQYHIEPKAQGN-PWSUYJOCSA-N 2 1 253.415 2.066 20 0 CEADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccco1 ZINC000343920983 395046246 /nfs/dbraw/zinc/04/62/46/395046246.db2.gz DMCNRBWTNQUZLN-CYBMUJFWSA-N 2 1 289.379 2.466 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291781527 395158538 /nfs/dbraw/zinc/15/85/38/395158538.db2.gz MGNVDIMOBWNVJO-SFHVURJKSA-N 2 1 299.418 2.218 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291781527 395158545 /nfs/dbraw/zinc/15/85/45/395158545.db2.gz MGNVDIMOBWNVJO-SFHVURJKSA-N 2 1 299.418 2.218 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000182442309 395241790 /nfs/dbraw/zinc/24/17/90/395241790.db2.gz WGWHZYWRDAJPJY-QZTJIDSGSA-N 2 1 290.451 2.254 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182442309 395241792 /nfs/dbraw/zinc/24/17/92/395241792.db2.gz WGWHZYWRDAJPJY-QZTJIDSGSA-N 2 1 290.451 2.254 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182442309 395241795 /nfs/dbraw/zinc/24/17/95/395241795.db2.gz WGWHZYWRDAJPJY-QZTJIDSGSA-N 2 1 290.451 2.254 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000352177441 395245928 /nfs/dbraw/zinc/24/59/28/395245928.db2.gz BRIBVYWNRNMUMS-OAGGEKHMSA-N 2 1 297.487 2.390 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000399792383 395248189 /nfs/dbraw/zinc/24/81/89/395248189.db2.gz QUARTXXOZRJHEM-CVEARBPZSA-N 2 1 259.397 2.149 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccccc2)C1 ZINC000383774594 395187151 /nfs/dbraw/zinc/18/71/51/395187151.db2.gz RQYBNGNXROEFHH-DLBZAZTESA-N 2 1 276.424 2.177 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccccc2)C1 ZINC000383774594 395187155 /nfs/dbraw/zinc/18/71/55/395187155.db2.gz RQYBNGNXROEFHH-DLBZAZTESA-N 2 1 276.424 2.177 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000383774594 395187160 /nfs/dbraw/zinc/18/71/60/395187160.db2.gz RQYBNGNXROEFHH-DLBZAZTESA-N 2 1 276.424 2.177 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000383774594 395187162 /nfs/dbraw/zinc/18/71/62/395187162.db2.gz RQYBNGNXROEFHH-DLBZAZTESA-N 2 1 276.424 2.177 20 0 CEADMP C[N@@H+]1CC[C@@]2(CCN(c3cc[nH+]cc3Br)C2)C1 ZINC000292417057 395194344 /nfs/dbraw/zinc/19/43/44/395194344.db2.gz WEHFDENUXZBMAP-CYBMUJFWSA-N 2 1 296.212 2.376 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(c3cc[nH+]cc3Br)C2)C1 ZINC000292417057 395194348 /nfs/dbraw/zinc/19/43/48/395194348.db2.gz WEHFDENUXZBMAP-CYBMUJFWSA-N 2 1 296.212 2.376 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C[NH3+])C(C)C)C1 ZINC000433158104 395206674 /nfs/dbraw/zinc/20/66/74/395206674.db2.gz IRDSQCJBIZFUGF-CABCVRRESA-N 2 1 297.487 2.234 20 0 CEADMP O[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C12CCCC2 ZINC000292818305 395206957 /nfs/dbraw/zinc/20/69/57/395206957.db2.gz SNBSNWOMHPACFO-OAHLLOKOSA-N 2 1 298.390 2.147 20 0 CEADMP C[C@H](NCCC[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000400440791 395252680 /nfs/dbraw/zinc/25/26/80/395252680.db2.gz ODDWZNZAMIPHSM-GOEBONIOSA-N 2 1 267.461 2.371 20 0 CEADMP CCc1cc(N2CCC[C@@H](C)[C@@H]2CC[NH3+])nc(C)[nH+]1 ZINC000404351769 395282730 /nfs/dbraw/zinc/28/27/30/395282730.db2.gz JQUCOEOOOCQXNH-RISCZKNCSA-N 2 1 262.401 2.301 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCO2)[C@@H]2CCC[C@@H]21 ZINC000353391260 395297369 /nfs/dbraw/zinc/29/73/69/395297369.db2.gz BRLQRJDPMSSVKH-AJNGGQMLSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353447364 395298234 /nfs/dbraw/zinc/29/82/34/395298234.db2.gz LBPLVSXMIASWRZ-OAGGEKHMSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353447364 395298238 /nfs/dbraw/zinc/29/82/38/395298238.db2.gz LBPLVSXMIASWRZ-OAGGEKHMSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353447364 395298244 /nfs/dbraw/zinc/29/82/44/395298244.db2.gz LBPLVSXMIASWRZ-OAGGEKHMSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353447364 395298248 /nfs/dbraw/zinc/29/82/48/395298248.db2.gz LBPLVSXMIASWRZ-OAGGEKHMSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353447364 395298252 /nfs/dbraw/zinc/29/82/52/395298252.db2.gz LBPLVSXMIASWRZ-OAGGEKHMSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353447364 395298258 /nfs/dbraw/zinc/29/82/58/395298258.db2.gz LBPLVSXMIASWRZ-OAGGEKHMSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353447364 395298263 /nfs/dbraw/zinc/29/82/63/395298263.db2.gz LBPLVSXMIASWRZ-OAGGEKHMSA-N 3 1 267.461 2.179 20 0 CEADMP CCOC(=O)CCCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000420295096 395300527 /nfs/dbraw/zinc/30/05/27/395300527.db2.gz UTMDZHFZSXUHAL-UHFFFAOYSA-N 2 1 282.428 2.184 20 0 CEADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420323881 395326319 /nfs/dbraw/zinc/32/63/19/395326319.db2.gz UNYASBCQZOPSIB-GJZGRUSLSA-N 2 1 299.422 2.260 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@](C)([NH3+])CCC ZINC000353601187 395303638 /nfs/dbraw/zinc/30/36/38/395303638.db2.gz ZSRLQRWANBHNKB-HOCLYGCPSA-N 2 1 283.460 2.275 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc2c(c1)OCO2 ZINC000420300572 395305652 /nfs/dbraw/zinc/30/56/52/395305652.db2.gz IBVPMHADHLGGGI-CYBMUJFWSA-N 2 1 276.380 2.237 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@@H]21 ZINC000420304043 395309483 /nfs/dbraw/zinc/30/94/83/395309483.db2.gz IJPNIWVMMLCFKW-CBBWQLFWSA-N 2 1 252.402 2.005 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CSC[C@H]2C)cn1 ZINC000296241927 395312239 /nfs/dbraw/zinc/31/22/39/395312239.db2.gz CRDVGEAGWRHFQN-RISCZKNCSA-N 2 1 288.420 2.417 20 0 CEADMP CCOC[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420307662 395313197 /nfs/dbraw/zinc/31/31/97/395313197.db2.gz RQJJFQYXZQNKGN-LSDHHAIUSA-N 2 1 254.418 2.125 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000420325506 395327798 /nfs/dbraw/zinc/32/77/98/395327798.db2.gz WQFONBIUUGESTP-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP Fc1ccccc1[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000420311499 395314778 /nfs/dbraw/zinc/31/47/78/395314778.db2.gz WBKRJNKFOXIEOG-XJKSGUPXSA-N 2 1 278.371 2.199 20 0 CEADMP Fc1ccccc1[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000420311499 395314784 /nfs/dbraw/zinc/31/47/84/395314784.db2.gz WBKRJNKFOXIEOG-XJKSGUPXSA-N 2 1 278.371 2.199 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000440472508 395317570 /nfs/dbraw/zinc/31/75/70/395317570.db2.gz USSDBEDSKTUZFD-KRWDZBQOSA-N 2 1 285.391 2.005 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C[C@H](C)O1 ZINC000420315324 395319594 /nfs/dbraw/zinc/31/95/94/395319594.db2.gz LREXSGHHGPRVEM-NUEKZKHPSA-N 2 1 292.423 2.237 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C[C@H](C)O1 ZINC000420315324 395319603 /nfs/dbraw/zinc/31/96/03/395319603.db2.gz LREXSGHHGPRVEM-NUEKZKHPSA-N 2 1 292.423 2.237 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000420325506 395327800 /nfs/dbraw/zinc/32/78/00/395327800.db2.gz WQFONBIUUGESTP-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000420319490 395321520 /nfs/dbraw/zinc/32/15/20/395321520.db2.gz PPVFBSJEMWAJOG-GJZGRUSLSA-N 2 1 290.407 2.148 20 0 CEADMP CO[C@@H](CC(C)C)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000419292574 395255416 /nfs/dbraw/zinc/25/54/16/395255416.db2.gz TVXCRQGEXDYDIN-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@@H](CC(C)C)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000419292574 395255421 /nfs/dbraw/zinc/25/54/21/395255421.db2.gz TVXCRQGEXDYDIN-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@@H](CC(C)C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000419292574 395255425 /nfs/dbraw/zinc/25/54/25/395255425.db2.gz TVXCRQGEXDYDIN-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000401879823 395263328 /nfs/dbraw/zinc/26/33/28/395263328.db2.gz NNFBQMLMTDWEHI-WMLDXEAASA-N 2 1 274.408 2.418 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)[C@H](C)[C@@H]2C)CC1 ZINC000419359740 395264265 /nfs/dbraw/zinc/26/42/65/395264265.db2.gz RNPVNUGFRIWZSO-IKGGRYGDSA-N 2 1 281.488 2.379 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)[C@@H](C)[C@@H]2C)CC1 ZINC000419359742 395264547 /nfs/dbraw/zinc/26/45/47/395264547.db2.gz RNPVNUGFRIWZSO-ZACQAIPSSA-N 2 1 281.488 2.379 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320655 395323682 /nfs/dbraw/zinc/32/36/82/395323682.db2.gz BNZQXKVMOZWQFJ-ZIAGYGMSSA-N 2 1 277.412 2.367 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000352749181 395267879 /nfs/dbraw/zinc/26/78/79/395267879.db2.gz PZMAZFMHXBVLMP-PNBKFKSVSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000352749181 395267883 /nfs/dbraw/zinc/26/78/83/395267883.db2.gz PZMAZFMHXBVLMP-PNBKFKSVSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352749181 395267885 /nfs/dbraw/zinc/26/78/85/395267885.db2.gz PZMAZFMHXBVLMP-PNBKFKSVSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352749181 395267888 /nfs/dbraw/zinc/26/78/88/395267888.db2.gz PZMAZFMHXBVLMP-PNBKFKSVSA-N 2 1 279.472 2.179 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CC2(CC(=O)OC)CC2)CC1 ZINC000440778707 395353439 /nfs/dbraw/zinc/35/34/39/395353439.db2.gz BKKHQWNEPWLKKE-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP Cc1cc(C2CC[NH+](CCC3CC[NH2+]CC3)CC2)n[nH]1 ZINC000420366231 395353951 /nfs/dbraw/zinc/35/39/51/395353951.db2.gz FWBNNXXKPPVPKI-UHFFFAOYSA-N 2 1 276.428 2.287 20 0 CEADMP Fc1cccc(OCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420372901 395358753 /nfs/dbraw/zinc/35/87/53/395358753.db2.gz MLXCUMNVIYJTQK-MRXNPFEDSA-N 2 1 278.371 2.280 20 0 CEADMP Fc1cccc(OCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420372901 395358755 /nfs/dbraw/zinc/35/87/55/395358755.db2.gz MLXCUMNVIYJTQK-MRXNPFEDSA-N 2 1 278.371 2.280 20 0 CEADMP [NH3+]C[C@H]([NH2+]CCOCC(F)(F)F)C1CCCCC1 ZINC000420373998 395360822 /nfs/dbraw/zinc/36/08/22/395360822.db2.gz RQOUHPBGGIMIMG-NSHDSACASA-N 2 1 268.323 2.063 20 0 CEADMP CC[N@@H+](CCC1CCN(C[C@H](C)[NH3+])CC1)CC(C)C ZINC000420375878 395361991 /nfs/dbraw/zinc/36/19/91/395361991.db2.gz QAKQVGFKVNHWFY-HNNXBMFYSA-N 2 1 269.477 2.414 20 0 CEADMP CC[N@H+](CCC1CC[NH+](C[C@H](C)[NH3+])CC1)CC(C)C ZINC000420375878 395361994 /nfs/dbraw/zinc/36/19/94/395361994.db2.gz QAKQVGFKVNHWFY-HNNXBMFYSA-N 3 1 269.477 2.414 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](C[C@H](C)[NH3+])CC1)CC(C)C ZINC000420375878 395361996 /nfs/dbraw/zinc/36/19/96/395361996.db2.gz QAKQVGFKVNHWFY-HNNXBMFYSA-N 3 1 269.477 2.414 20 0 CEADMP CC[N@H+](CCC1CC[NH+](C[C@H](C)N)CC1)CC(C)C ZINC000420375878 395362000 /nfs/dbraw/zinc/36/20/00/395362000.db2.gz QAKQVGFKVNHWFY-HNNXBMFYSA-N 2 1 269.477 2.414 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](C[C@H](C)N)CC1)CC(C)C ZINC000420375878 395362002 /nfs/dbraw/zinc/36/20/02/395362002.db2.gz QAKQVGFKVNHWFY-HNNXBMFYSA-N 2 1 269.477 2.414 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1F ZINC000420379722 395363856 /nfs/dbraw/zinc/36/38/56/395363856.db2.gz YAMMLADDWZDTMQ-HSMVNMDESA-N 2 1 293.386 2.130 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCOCCOc1ccccc1 ZINC000420377766 395364465 /nfs/dbraw/zinc/36/44/65/395364465.db2.gz WOOHUFYFVHXHRF-HLLBOEOZSA-N 2 1 292.423 2.058 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](CCCOc2cccc(Cl)c2)CCCO1 ZINC000420380059 395365563 /nfs/dbraw/zinc/36/55/63/395365563.db2.gz BQIOXRHTWLMCIL-OAHLLOKOSA-N 2 1 298.814 2.159 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCCOc2cccc(Cl)c2)CCCO1 ZINC000420380059 395365568 /nfs/dbraw/zinc/36/55/68/395365568.db2.gz BQIOXRHTWLMCIL-OAHLLOKOSA-N 2 1 298.814 2.159 20 0 CEADMP COc1ccc2c(c1)OCC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000420381558 395366204 /nfs/dbraw/zinc/36/62/04/395366204.db2.gz XWDDOIASLILSBR-CQSZACIVSA-N 2 1 290.407 2.279 20 0 CEADMP COc1ccccc1OCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420381051 395366378 /nfs/dbraw/zinc/36/63/78/395366378.db2.gz RRGHNMGQYIMAPQ-QGZVFWFLSA-N 2 1 290.407 2.150 20 0 CEADMP COc1ccccc1OCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420381051 395366383 /nfs/dbraw/zinc/36/63/83/395366383.db2.gz RRGHNMGQYIMAPQ-QGZVFWFLSA-N 2 1 290.407 2.150 20 0 CEADMP C[C@@H]1CC[N@@H+](CCO[C@@H]2CCCC[C@@H]2C)C[C@@H]1C[NH3+] ZINC000420404169 395373096 /nfs/dbraw/zinc/37/30/96/395373096.db2.gz LTLOZPIDCAMIQA-FXUDXRNXSA-N 2 1 268.445 2.498 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420413821 395374570 /nfs/dbraw/zinc/37/45/70/395374570.db2.gz TWNICDAZYUHJSV-DOMZBBRYSA-N 2 1 275.396 2.062 20 0 CEADMP C[C@@H]1CC[N@@H+](CCOc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000420416782 395375344 /nfs/dbraw/zinc/37/53/44/395375344.db2.gz VWAGNUWGJXQOOM-CHWSQXEVSA-N 2 1 266.360 2.121 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Cl)o2)CC1(C)C ZINC000441338307 395386912 /nfs/dbraw/zinc/38/69/12/395386912.db2.gz WIXBGHSZPIGJHG-UHFFFAOYSA-N 2 1 285.819 2.049 20 0 CEADMP C[C@@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000192744560 395391690 /nfs/dbraw/zinc/39/16/90/395391690.db2.gz WIQWQMLIPNXLHV-LSDHHAIUSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1nc2c(c(N(C)C[C@H]3CCC[N@H+]3C)n1)CCCC2 ZINC000420635898 395395371 /nfs/dbraw/zinc/39/53/71/395395371.db2.gz MSQJZXMGPRUZPV-CYBMUJFWSA-N 2 1 274.412 2.194 20 0 CEADMP C(CN1CCC[N@H+](C2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000420328274 395329115 /nfs/dbraw/zinc/32/91/15/395329115.db2.gz ZVCFSPLSWKERDM-MRXNPFEDSA-N 2 1 279.472 2.326 20 0 CEADMP C(C[N@@H+]1CCCN(C2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000420328274 395329117 /nfs/dbraw/zinc/32/91/17/395329117.db2.gz ZVCFSPLSWKERDM-MRXNPFEDSA-N 2 1 279.472 2.326 20 0 CEADMP C(C[N@H+]1CCCN(C2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000420328274 395329118 /nfs/dbraw/zinc/32/91/18/395329118.db2.gz ZVCFSPLSWKERDM-MRXNPFEDSA-N 2 1 279.472 2.326 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327599 395329738 /nfs/dbraw/zinc/32/97/38/395329738.db2.gz LOAJIGGLCUIRCP-JKSUJKDBSA-N 2 1 296.455 2.431 20 0 CEADMP CC(C)n1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420329180 395331215 /nfs/dbraw/zinc/33/12/15/395331215.db2.gz NTZWJWLTQHDCGL-LSDHHAIUSA-N 2 1 276.428 2.286 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345290 395338517 /nfs/dbraw/zinc/33/85/17/395338517.db2.gz VSUFFNYIORPJAK-ARFHVFGLSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420351018 395339983 /nfs/dbraw/zinc/33/99/83/395339983.db2.gz ITUWYSFDDASXIX-OLZOCXBDSA-N 2 1 256.777 2.043 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCN(C)c1ccccc1 ZINC000420353571 395340788 /nfs/dbraw/zinc/34/07/88/395340788.db2.gz AOWFUHLMBSRMKA-YCPHGPKFSA-N 2 1 261.413 2.099 20 0 CEADMP COc1ccc(OCC[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000420357325 395344934 /nfs/dbraw/zinc/34/49/34/395344934.db2.gz HIGUQXSLTVIMMV-CQSZACIVSA-N 2 1 266.385 2.037 20 0 CEADMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+]1CCCCC1 ZINC000354888584 395346742 /nfs/dbraw/zinc/34/67/42/395346742.db2.gz RSPPNVXCOYQGNF-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)(C)c1ccc2c(c1)C[N@H+](CCOCC[NH3+])CC2 ZINC000420362113 395348254 /nfs/dbraw/zinc/34/82/54/395348254.db2.gz AHHAHSCVFSAYOW-UHFFFAOYSA-N 2 1 276.424 2.318 20 0 CEADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCC[NH3+])C3)nc2c1 ZINC000420364040 395350503 /nfs/dbraw/zinc/35/05/03/395350503.db2.gz QLMZYRXNBSLNOH-CYBMUJFWSA-N 2 1 272.396 2.400 20 0 CEADMP Cc1ccc2nc([C@@H]3CCC[N@H+](CCC[NH3+])C3)[nH]c2c1 ZINC000420364040 395350508 /nfs/dbraw/zinc/35/05/08/395350508.db2.gz QLMZYRXNBSLNOH-CYBMUJFWSA-N 2 1 272.396 2.400 20 0 CEADMP Cc1ccc2nc([C@@H]3CCC[N@@H+](CCC[NH3+])C3)[nH]c2c1 ZINC000420364040 395350514 /nfs/dbraw/zinc/35/05/14/395350514.db2.gz QLMZYRXNBSLNOH-CYBMUJFWSA-N 2 1 272.396 2.400 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444716041 395448368 /nfs/dbraw/zinc/44/83/68/395448368.db2.gz IRVBUFKKRSTBIF-UPJWGTAASA-N 2 1 294.361 2.106 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444716041 395448373 /nfs/dbraw/zinc/44/83/73/395448373.db2.gz IRVBUFKKRSTBIF-UPJWGTAASA-N 2 1 294.361 2.106 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444716041 395448376 /nfs/dbraw/zinc/44/83/76/395448376.db2.gz IRVBUFKKRSTBIF-UPJWGTAASA-N 2 1 294.361 2.106 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444716041 395448377 /nfs/dbraw/zinc/44/83/77/395448377.db2.gz IRVBUFKKRSTBIF-UPJWGTAASA-N 2 1 294.361 2.106 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCOCC2CCC2)CC[N@@H+]1C ZINC000445430948 395463787 /nfs/dbraw/zinc/46/37/87/395463787.db2.gz LVBAOZFWYBGNHE-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCOCC2CCC2)CC[N@H+]1C ZINC000445430948 395463789 /nfs/dbraw/zinc/46/37/89/395463789.db2.gz LVBAOZFWYBGNHE-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCOCC2CCC2)CC[NH+]1C ZINC000445430948 395463791 /nfs/dbraw/zinc/46/37/91/395463791.db2.gz LVBAOZFWYBGNHE-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCOCC2CCC2)CC[NH+]1C ZINC000445430948 395463792 /nfs/dbraw/zinc/46/37/92/395463792.db2.gz LVBAOZFWYBGNHE-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)CC1 ZINC000355357789 395419828 /nfs/dbraw/zinc/41/98/28/395419828.db2.gz OTYLTDIVTYENGY-IACUBPJLSA-N 2 1 254.418 2.120 20 0 CEADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH+]1CCCC1 ZINC000420907781 395435155 /nfs/dbraw/zinc/43/51/55/395435155.db2.gz VUXIILMALHAHGV-UHFFFAOYSA-N 2 1 260.381 2.115 20 0 CEADMP Cc1[nH+]cc(CNC[C@@]2([NH+](C)C)CCC[C@H](C)C2)n1C ZINC000566496580 395530992 /nfs/dbraw/zinc/53/09/92/395530992.db2.gz JOYCXEZJNMTUIM-XJKSGUPXSA-N 2 1 278.444 2.329 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000567897035 395540394 /nfs/dbraw/zinc/54/03/94/395540394.db2.gz AQMZKJCQNUKXFE-CVEARBPZSA-N 2 1 289.423 2.066 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc3c(n2)CCC3)C1 ZINC000565760685 395483575 /nfs/dbraw/zinc/48/35/75/395483575.db2.gz HECLDGDJMLLTTM-AWEZNQCLSA-N 2 1 273.424 2.344 20 0 CEADMP COC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCCC1 ZINC000446820760 395499313 /nfs/dbraw/zinc/49/93/13/395499313.db2.gz HKIHDFLOOOJPKG-DLBZAZTESA-N 2 1 298.471 2.018 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451419854 395615875 /nfs/dbraw/zinc/61/58/75/395615875.db2.gz LZYWKLDANHWSSI-XHSDSOJGSA-N 2 1 268.445 2.344 20 0 CEADMP C[N@@H+](CCC(=O)N1CC[NH+](C)C(C)(C)C1)C1CCCCC1 ZINC000568218416 395550734 /nfs/dbraw/zinc/55/07/34/395550734.db2.gz QSTPHZXULGXROP-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449487063 395550871 /nfs/dbraw/zinc/55/08/71/395550871.db2.gz WQXUWTLWDOWFGP-MNOVXSKESA-N 2 1 253.415 2.340 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(-n2cncn2)cc1 ZINC000568446146 395560055 /nfs/dbraw/zinc/56/00/55/395560055.db2.gz GFLBDCVLXXRTJW-RHSMWYFYSA-N 2 1 299.422 2.039 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000568446146 395560057 /nfs/dbraw/zinc/56/00/57/395560057.db2.gz GFLBDCVLXXRTJW-RHSMWYFYSA-N 2 1 299.422 2.039 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000568446146 395560058 /nfs/dbraw/zinc/56/00/58/395560058.db2.gz GFLBDCVLXXRTJW-RHSMWYFYSA-N 2 1 299.422 2.039 20 0 CEADMP [NH3+]C[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C1CC1 ZINC000568499465 395562857 /nfs/dbraw/zinc/56/28/57/395562857.db2.gz CRWWXISWWMMCMN-MNQCNDSGSA-N 2 1 299.418 2.146 20 0 CEADMP CCc1cc(N2CC[NH+](Cc3ccccn3)CC2)cc[nH+]1 ZINC000450228233 395569381 /nfs/dbraw/zinc/56/93/81/395569381.db2.gz LETIOJSSUGUISN-UHFFFAOYSA-N 2 1 282.391 2.361 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000574327383 395627955 /nfs/dbraw/zinc/62/79/55/395627955.db2.gz KSPPFFWFCTUONU-HOTGVXAUSA-N 2 1 295.471 2.289 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2COc3cc(F)ccc3C2)CC1 ZINC000574339307 395628543 /nfs/dbraw/zinc/62/85/43/395628543.db2.gz DTCLNCOYRBCHAQ-HNNXBMFYSA-N 2 1 278.371 2.203 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2COc3ccc(F)cc32)C1 ZINC000574584648 395633008 /nfs/dbraw/zinc/63/30/08/395633008.db2.gz JDWLRRPUDDVLBK-MDZLAQPJSA-N 2 1 250.317 2.119 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000574754652 395636522 /nfs/dbraw/zinc/63/65/22/395636522.db2.gz GXNJHNJVGPOZGH-RRFJBIMHSA-N 2 1 298.475 2.066 20 0 CEADMP C[C@H](CCc1ccccc1)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647493294 395721169 /nfs/dbraw/zinc/72/11/69/395721169.db2.gz ZQLQSOPZJORPKL-QGZVFWFLSA-N 2 1 289.467 2.092 20 0 CEADMP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)nc1 ZINC000647496524 395721687 /nfs/dbraw/zinc/72/16/87/395721687.db2.gz QVGLQPXRRYZSII-OLZOCXBDSA-N 2 1 263.385 2.040 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)nc1 ZINC000647496524 395721689 /nfs/dbraw/zinc/72/16/89/395721689.db2.gz QVGLQPXRRYZSII-OLZOCXBDSA-N 2 1 263.385 2.040 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccc(N(C)CC)nc2)CC[C@@H]1[NH3+] ZINC000647497332 395721898 /nfs/dbraw/zinc/72/18/98/395721898.db2.gz CVXDPUFVXKEWIN-GJZGRUSLSA-N 2 1 276.428 2.097 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(N(C)CC)nc2)CC[C@@H]1[NH3+] ZINC000647497332 395721899 /nfs/dbraw/zinc/72/18/99/395721899.db2.gz CVXDPUFVXKEWIN-GJZGRUSLSA-N 2 1 276.428 2.097 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCCOC)cc2)CC[C@H]1[NH3+] ZINC000647499110 395722856 /nfs/dbraw/zinc/72/28/56/395722856.db2.gz ZSSXFGZXAFOHHC-NVXWUHKLSA-N 2 1 292.423 2.271 20 0 CEADMP CCOc1ccccc1CC[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647548940 395732788 /nfs/dbraw/zinc/73/27/88/395732788.db2.gz BJWYDXPOEJNUEF-DZGCQCFKSA-N 2 1 262.397 2.215 20 0 CEADMP COc1cc(C[NH+]2CCC(C)([NH3+])CC2)cc(OC)c1 ZINC000647531242 395727210 /nfs/dbraw/zinc/72/72/10/395727210.db2.gz JGZWZRBUYQVBNU-UHFFFAOYSA-N 2 1 264.369 2.017 20 0 CEADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000647549194 395732924 /nfs/dbraw/zinc/73/29/24/395732924.db2.gz MTUSWILVSHIKFH-BXUZGUMPSA-N 2 1 252.789 2.470 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000647535776 395728872 /nfs/dbraw/zinc/72/88/72/395728872.db2.gz LGMJOUDRTRTYOF-NSHDSACASA-N 2 1 265.426 2.193 20 0 CEADMP Fc1cccc(O[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647538194 395729517 /nfs/dbraw/zinc/72/95/17/395729517.db2.gz IPLYVJDOKMUBSM-CZUORRHYSA-N 2 1 278.371 2.278 20 0 CEADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543988 395731241 /nfs/dbraw/zinc/73/12/41/395731241.db2.gz VHVMOUCCTDLNFF-LSDHHAIUSA-N 3 1 267.461 2.086 20 0 CEADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543988 395731243 /nfs/dbraw/zinc/73/12/43/395731243.db2.gz VHVMOUCCTDLNFF-LSDHHAIUSA-N 3 1 267.461 2.086 20 0 CEADMP C(C1CCOCC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543853 395731293 /nfs/dbraw/zinc/73/12/93/395731293.db2.gz SXQVXVVFIFUWRN-CVEARBPZSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nc2c(s1)CCCC2 ZINC000647552271 395734295 /nfs/dbraw/zinc/73/42/95/395734295.db2.gz OPHFQZKGFCKVFY-NXEZZACHSA-N 2 1 253.415 2.237 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@H]([C@@H](C)[NH3+])C3)c2c1C ZINC000647704948 395746869 /nfs/dbraw/zinc/74/68/69/395746869.db2.gz PPKSXMIQDUGNHT-PWSUYJOCSA-N 2 1 273.384 2.138 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647789753 395755024 /nfs/dbraw/zinc/75/50/24/395755024.db2.gz KMKZROIYUBNUJA-CWQOZTLDSA-N 3 1 293.499 2.332 20 0 CEADMP c1n[nH]c2cc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc12 ZINC000647796493 395756699 /nfs/dbraw/zinc/75/66/99/395756699.db2.gz AZTNIYXSSOCYAR-FVQBIDKESA-N 2 1 284.407 2.083 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647936832 395779464 /nfs/dbraw/zinc/77/94/64/395779464.db2.gz MARVSJCTYZCBLN-AAEUAGOBSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647936832 395779466 /nfs/dbraw/zinc/77/94/66/395779466.db2.gz MARVSJCTYZCBLN-AAEUAGOBSA-N 2 1 251.374 2.105 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC2CCCCC2)CC[C@H]1[NH3+] ZINC000647940241 395780909 /nfs/dbraw/zinc/78/09/09/395780909.db2.gz QKRKKLTZUKXRFV-FVQBIDKESA-N 2 1 295.471 2.131 20 0 CEADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NCC2CCCCC2)CC[C@H]1[NH3+] ZINC000647940241 395780911 /nfs/dbraw/zinc/78/09/11/395780911.db2.gz QKRKKLTZUKXRFV-FVQBIDKESA-N 2 1 295.471 2.131 20 0 CEADMP COc1ccccc1OCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815184 395759869 /nfs/dbraw/zinc/75/98/69/395759869.db2.gz SSJDIJIXUDLINZ-UHFFFAOYSA-N 2 1 290.407 2.290 20 0 CEADMP C[C@H]1CCC[C@H](CC[N@@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000647835861 395762037 /nfs/dbraw/zinc/76/20/37/395762037.db2.gz SAPNFSOTMWCFQP-JKSUJKDBSA-N 2 1 267.461 2.040 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000647872265 395766344 /nfs/dbraw/zinc/76/63/44/395766344.db2.gz PSGXBIHHURJYFJ-HUUCEWRRSA-N 2 1 290.407 2.148 20 0 CEADMP Cc1ccccc1OCCC[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647881215 395768417 /nfs/dbraw/zinc/76/84/17/395768417.db2.gz UGGZVLKQNAFEOH-OAHLLOKOSA-N 2 1 262.397 2.305 20 0 CEADMP O[C@H]([C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1)C(F)(F)F ZINC000647884527 395769104 /nfs/dbraw/zinc/76/91/04/395769104.db2.gz BGBFFVVHNYUCOT-CHWSQXEVSA-N 2 1 294.361 2.154 20 0 CEADMP COc1cc2ccccc2cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000648385259 395899246 /nfs/dbraw/zinc/89/92/46/395899246.db2.gz XNVOURMKZKYKJV-IRXDYDNUSA-N 2 1 282.387 2.500 20 0 CEADMP CC[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)[C@H](C)CO1 ZINC000649734763 396245235 /nfs/dbraw/zinc/24/52/35/396245235.db2.gz AGHWBMXXTXXMPI-UKRRQHHQSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)[C@H](C)CO1 ZINC000649734763 396245238 /nfs/dbraw/zinc/24/52/38/396245238.db2.gz AGHWBMXXTXXMPI-UKRRQHHQSA-N 2 1 265.401 2.471 20 0 CEADMP CC(C)O[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000649702386 396232945 /nfs/dbraw/zinc/23/29/45/396232945.db2.gz COZMPBIRUMRSRU-HUUCEWRRSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)O[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000649702386 396232947 /nfs/dbraw/zinc/23/29/47/396232947.db2.gz COZMPBIRUMRSRU-HUUCEWRRSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)O[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000649702386 396232950 /nfs/dbraw/zinc/23/29/50/396232950.db2.gz COZMPBIRUMRSRU-HUUCEWRRSA-N 2 1 254.418 2.360 20 0 CEADMP Cc1ccc(F)c(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646106603 396294766 /nfs/dbraw/zinc/29/47/66/396294766.db2.gz DFUDCRWOBSBEOT-UHFFFAOYSA-N 2 1 292.398 2.431 20 0 CEADMP Cc1ccc(F)c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646106603 396294768 /nfs/dbraw/zinc/29/47/68/396294768.db2.gz DFUDCRWOBSBEOT-UHFFFAOYSA-N 2 1 292.398 2.431 20 0 CEADMP COCC1(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000647227078 396445025 /nfs/dbraw/zinc/44/50/25/396445025.db2.gz RGEZNSHUJYXXTH-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP COCC1(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000647227079 396445336 /nfs/dbraw/zinc/44/53/36/396445336.db2.gz RGEZNSHUJYXXTH-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccnn1CC(C)C ZINC000647179581 396431032 /nfs/dbraw/zinc/43/10/32/396431032.db2.gz FNMZQMNSUMKBBX-CQSZACIVSA-N 2 1 289.427 2.470 20 0 CEADMP C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000647200270 396438421 /nfs/dbraw/zinc/43/84/21/396438421.db2.gz VJKNGBOUPFKTCG-QPSCCSFWSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000335061851 296575743 /nfs/dbraw/zinc/57/57/43/296575743.db2.gz YJSLTWXDIFWUAC-HIFRSBDPSA-N 3 1 267.461 2.227 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000218920067 400309461 /nfs/dbraw/zinc/30/94/61/400309461.db2.gz JBOZRQSRCAQTKV-HZPDHXFCSA-N 2 1 295.471 2.083 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccnn2C(C)C)CC[C@H]1[NH3+] ZINC000394659472 400551524 /nfs/dbraw/zinc/55/15/24/400551524.db2.gz ZLMUYSWDWHJODB-GXTWGEPZSA-N 2 1 250.390 2.023 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccnn2C(C)C)CC[C@H]1[NH3+] ZINC000394659472 400551527 /nfs/dbraw/zinc/55/15/27/400551527.db2.gz ZLMUYSWDWHJODB-GXTWGEPZSA-N 2 1 250.390 2.023 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCCC[C@@H]2O)CC1 ZINC000574360046 400606217 /nfs/dbraw/zinc/60/62/17/400606217.db2.gz VVSGTBXCZQGCPT-ZBFHGGJFSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@H](C[NH2+]CCCc1cnn(C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000638363713 400691552 /nfs/dbraw/zinc/69/15/52/400691552.db2.gz PSUBUORUNVCFIN-LSDHHAIUSA-N 2 1 278.444 2.063 20 0 CEADMP C[C@H](C[NH2+]CCCc1cnn(C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000638363713 400691556 /nfs/dbraw/zinc/69/15/56/400691556.db2.gz PSUBUORUNVCFIN-LSDHHAIUSA-N 2 1 278.444 2.063 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707739 400997550 /nfs/dbraw/zinc/99/75/50/400997550.db2.gz MENLVHDADXBGJH-RRFJBIMHSA-N 2 1 254.418 2.251 20 0 CEADMP Cc1cccnc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707575 400998193 /nfs/dbraw/zinc/99/81/93/400998193.db2.gz IVWUFLZVFAQZPE-ZOBUZTSGSA-N 2 1 289.423 2.108 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])n1 ZINC000650711067 401002114 /nfs/dbraw/zinc/00/21/14/401002114.db2.gz HNBUCWKORBDVPH-HIFRSBDPSA-N 2 1 277.412 2.430 20 0 CEADMP Cc1ncccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723552 401011239 /nfs/dbraw/zinc/01/12/39/401011239.db2.gz QDVNKAPBGFBECE-ZACQAIPSSA-N 2 1 289.423 2.251 20 0 CEADMP CC[C@H](NCCC[N@@H+](C)CC(C)C)[C@@H]1CCC[NH2+]1 ZINC000650740916 401016361 /nfs/dbraw/zinc/01/63/61/401016361.db2.gz UHJKADQWRZXERY-GJZGRUSLSA-N 2 1 255.450 2.085 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000359965265 155180006 /nfs/dbraw/zinc/18/00/06/155180006.db2.gz YBFTUPSYPUYICI-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000359965265 155180008 /nfs/dbraw/zinc/18/00/08/155180008.db2.gz YBFTUPSYPUYICI-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000359965265 155180014 /nfs/dbraw/zinc/18/00/14/155180014.db2.gz YBFTUPSYPUYICI-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C(C)C ZINC000353521153 286013325 /nfs/dbraw/zinc/01/33/25/286013325.db2.gz PGDONSDTGRUWFB-GBJTYRQASA-N 2 1 254.418 2.120 20 0 CEADMP c1c2cnccc2oc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000651675932 401370290 /nfs/dbraw/zinc/37/02/90/401370290.db2.gz IWDHFXCEIOYLQS-GFCCVEGCSA-N 2 1 271.364 2.402 20 0 CEADMP c1c2cnccc2oc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000651675932 401370293 /nfs/dbraw/zinc/37/02/93/401370293.db2.gz IWDHFXCEIOYLQS-GFCCVEGCSA-N 2 1 271.364 2.402 20 0 CEADMP CC(=O)NC1CCC([NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000651865771 401405885 /nfs/dbraw/zinc/40/58/85/401405885.db2.gz HGDLTPYSWHRYEX-UHFFFAOYSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000651866065 401405979 /nfs/dbraw/zinc/40/59/79/401405979.db2.gz SQPYESBIIDPFQU-HUUCEWRRSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000651866065 401405982 /nfs/dbraw/zinc/40/59/82/401405982.db2.gz SQPYESBIIDPFQU-HUUCEWRRSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000651866065 401405985 /nfs/dbraw/zinc/40/59/85/401405985.db2.gz SQPYESBIIDPFQU-HUUCEWRRSA-N 2 1 267.461 2.179 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(O)CC2)[C@H](C)C1 ZINC000151356461 286058500 /nfs/dbraw/zinc/05/85/00/286058500.db2.gz RXCBXJHRZWRNEO-RDHHWEPZSA-N 2 1 298.471 2.017 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000652222003 401466629 /nfs/dbraw/zinc/46/66/29/401466629.db2.gz CHJDQBULLVSKMO-HNNXBMFYSA-N 3 1 269.477 2.284 20 0 CEADMP CC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)[C@@H]1CCOC1 ZINC000652222459 401466920 /nfs/dbraw/zinc/46/69/20/401466920.db2.gz PCNOBUUGCAEXIV-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC[C@H]3CCCCO3)C2)C1 ZINC000652350389 401491609 /nfs/dbraw/zinc/49/16/09/401491609.db2.gz WVYFLPVYLZFLPI-HZMVEIRTSA-N 2 1 296.455 2.164 20 0 CEADMP CC(C)CN(C(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+])C1CC1 ZINC000652354880 401492149 /nfs/dbraw/zinc/49/21/49/401492149.db2.gz KGCISJORNNJZDG-GOEBONIOSA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)CN(C(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+])C1CC1 ZINC000652354880 401492154 /nfs/dbraw/zinc/49/21/54/401492154.db2.gz KGCISJORNNJZDG-GOEBONIOSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@H]1CC[NH3+] ZINC000652356083 401492773 /nfs/dbraw/zinc/49/27/73/401492773.db2.gz RRPWOXZCLAUEQC-KSSFIOAISA-N 3 1 287.451 2.282 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](COC)CC(C)C)C1 ZINC000360241918 155251526 /nfs/dbraw/zinc/25/15/26/155251526.db2.gz MCHPUINLXPRMCN-LSDHHAIUSA-N 2 1 256.434 2.369 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)C1CCOCC1 ZINC000360241090 155251630 /nfs/dbraw/zinc/25/16/30/155251630.db2.gz YMKLDMACBJYPJL-OAHLLOKOSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](CO)CC(C)C ZINC000360481100 155311315 /nfs/dbraw/zinc/31/13/15/155311315.db2.gz CSENRJRZIKRGHA-OAHLLOKOSA-N 2 1 267.417 2.311 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](CO)CC(C)C ZINC000360481100 155311316 /nfs/dbraw/zinc/31/13/16/155311316.db2.gz CSENRJRZIKRGHA-OAHLLOKOSA-N 2 1 267.417 2.311 20 0 CEADMP COc1ccc(OCC[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414674227 286346371 /nfs/dbraw/zinc/34/63/71/286346371.db2.gz DIXVVWWCVLHQOC-LSDHHAIUSA-N 2 1 292.423 2.394 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C2CCCCC2)CC[N@H+]1C ZINC000188660802 153065540 /nfs/dbraw/zinc/06/55/40/153065540.db2.gz CVLZMOKNKWBASZ-BMFZPTHFSA-N 2 1 268.445 2.390 20 0 CEADMP CCC(=O)CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000190210252 153121987 /nfs/dbraw/zinc/12/19/87/153121987.db2.gz FXEWCDBLIBCKTE-GASCZTMLSA-N 2 1 296.455 2.177 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cn1 ZINC000190793875 153141181 /nfs/dbraw/zinc/14/11/81/153141181.db2.gz CHNRZUFBFPHFOB-HNNXBMFYSA-N 2 1 290.455 2.359 20 0 CEADMP C[NH+](C)CCC1CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191266989 153164869 /nfs/dbraw/zinc/16/48/69/153164869.db2.gz HHJAAILTTDNPRL-UHFFFAOYSA-N 2 1 293.459 2.197 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000191471541 153176246 /nfs/dbraw/zinc/17/62/46/153176246.db2.gz MKVITEMMIPHHBA-MRXNPFEDSA-N 2 1 297.487 2.203 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000191471541 153176249 /nfs/dbraw/zinc/17/62/49/153176249.db2.gz MKVITEMMIPHHBA-MRXNPFEDSA-N 2 1 297.487 2.203 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193048826 153226759 /nfs/dbraw/zinc/22/67/59/153226759.db2.gz FRIOFWLUDOYVAM-DKUMPPAJSA-N 2 1 268.445 2.244 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000216156733 153292872 /nfs/dbraw/zinc/29/28/72/153292872.db2.gz BRLXYTBKFYYZSM-STQMWFEESA-N 2 1 278.396 2.181 20 0 CEADMP COc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000221841730 153311076 /nfs/dbraw/zinc/31/10/76/153311076.db2.gz RPBPEODAFIEWAO-XJKSGUPXSA-N 2 1 278.396 2.004 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000221917840 153312302 /nfs/dbraw/zinc/31/23/02/153312302.db2.gz PVJNTWKXCFEMCR-GFCCVEGCSA-N 2 1 252.406 2.109 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000221917840 153312307 /nfs/dbraw/zinc/31/23/07/153312307.db2.gz PVJNTWKXCFEMCR-GFCCVEGCSA-N 2 1 252.406 2.109 20 0 CEADMP CC(C)n1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000226240949 153330950 /nfs/dbraw/zinc/33/09/50/153330950.db2.gz OBYPMSPYVLUCSB-ZDUSSCGKSA-N 2 1 262.401 2.038 20 0 CEADMP CC(C)n1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000226240949 153330953 /nfs/dbraw/zinc/33/09/53/153330953.db2.gz OBYPMSPYVLUCSB-ZDUSSCGKSA-N 2 1 262.401 2.038 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNCc1c(C)nc2ccccn21 ZINC000228031925 153354084 /nfs/dbraw/zinc/35/40/84/153354084.db2.gz DEONUSLIZKVBAE-ZDUSSCGKSA-N 2 1 274.412 2.463 20 0 CEADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261754377 153829971 /nfs/dbraw/zinc/82/99/71/153829971.db2.gz NFPVNLQXWFPROI-BBRMVZONSA-N 2 1 293.842 2.381 20 0 CEADMP Clc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC000334832501 154234963 /nfs/dbraw/zinc/23/49/63/154234963.db2.gz DIHSYMZWVASSBC-GDGBQDQQSA-N 2 1 257.164 2.301 20 0 CEADMP COc1ccc([C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000346816386 154301108 /nfs/dbraw/zinc/30/11/08/154301108.db2.gz ARRHMCMJCPJALT-GOEBONIOSA-N 2 1 274.408 2.484 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@@H+]1C ZINC000352786687 154334653 /nfs/dbraw/zinc/33/46/53/154334653.db2.gz AIGJBDPJCDLSGJ-IWMBGFJWSA-N 2 1 254.418 2.405 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@H+]1C ZINC000352786687 154334658 /nfs/dbraw/zinc/33/46/58/154334658.db2.gz AIGJBDPJCDLSGJ-IWMBGFJWSA-N 2 1 254.418 2.405 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000359661219 155101283 /nfs/dbraw/zinc/10/12/83/155101283.db2.gz MZIGPXSPDKCLCQ-NJAFHUGGSA-N 2 1 287.451 2.363 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000359661219 155101286 /nfs/dbraw/zinc/10/12/86/155101286.db2.gz MZIGPXSPDKCLCQ-NJAFHUGGSA-N 2 1 287.451 2.363 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000359742868 155124426 /nfs/dbraw/zinc/12/44/26/155124426.db2.gz LFZNPYZJDXKKDD-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000359742868 155124428 /nfs/dbraw/zinc/12/44/28/155124428.db2.gz LFZNPYZJDXKKDD-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000359742868 155124429 /nfs/dbraw/zinc/12/44/29/155124429.db2.gz LFZNPYZJDXKKDD-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)[NH+](CC)CC ZINC000359803081 155129690 /nfs/dbraw/zinc/12/96/90/155129690.db2.gz USFCWEHUXLYFCX-OWCLPIDISA-N 2 1 297.487 2.438 20 0 CEADMP CO[C@](C)(C[NH2+]Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000361147777 155467300 /nfs/dbraw/zinc/46/73/00/155467300.db2.gz WESUHZRIKVKVPU-CQSZACIVSA-N 2 1 283.441 2.109 20 0 CEADMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)ccn1 ZINC000366863417 156091801 /nfs/dbraw/zinc/09/18/01/156091801.db2.gz GFQVEKGCKBSSCY-UHFFFAOYSA-N 2 1 289.423 2.398 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367600108 156215045 /nfs/dbraw/zinc/21/50/45/156215045.db2.gz YIKSRAKOSVFOSZ-SMDDNHRTSA-N 2 1 273.384 2.218 20 0 CEADMP COCCSCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375740907 157136854 /nfs/dbraw/zinc/13/68/54/157136854.db2.gz HDBCPNUXACXVHX-YIONKMFJSA-N 2 1 286.485 2.313 20 0 CEADMP COCCSCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375740907 157136858 /nfs/dbraw/zinc/13/68/58/157136858.db2.gz HDBCPNUXACXVHX-YIONKMFJSA-N 2 1 286.485 2.313 20 0 CEADMP COCCSCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375740907 157136862 /nfs/dbraw/zinc/13/68/62/157136862.db2.gz HDBCPNUXACXVHX-YIONKMFJSA-N 2 1 286.485 2.313 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000532446154 298144519 /nfs/dbraw/zinc/14/45/19/298144519.db2.gz ZIPWTPYJADFTEW-ARFHVFGLSA-N 2 1 266.429 2.408 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]3CCC[NH2+]3)c2C1 ZINC000166720917 162355047 /nfs/dbraw/zinc/35/50/47/162355047.db2.gz CIXFSGZRIPPTSF-AWEZNQCLSA-N 2 1 287.407 2.493 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H]3CCC[NH2+]3)c2C1 ZINC000166720917 162355052 /nfs/dbraw/zinc/35/50/52/162355052.db2.gz CIXFSGZRIPPTSF-AWEZNQCLSA-N 2 1 287.407 2.493 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000167675017 162360742 /nfs/dbraw/zinc/36/07/42/162360742.db2.gz LCFAVNXCPNIRFH-NSHDSACASA-N 2 1 298.228 2.405 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000167675017 162360745 /nfs/dbraw/zinc/36/07/45/162360745.db2.gz LCFAVNXCPNIRFH-NSHDSACASA-N 2 1 298.228 2.405 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000360224077 287007302 /nfs/dbraw/zinc/00/73/02/287007302.db2.gz GAKXETSEVSCKPO-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000360224077 287007304 /nfs/dbraw/zinc/00/73/04/287007304.db2.gz GAKXETSEVSCKPO-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000360224077 287007305 /nfs/dbraw/zinc/00/73/05/287007305.db2.gz GAKXETSEVSCKPO-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccnn1C ZINC000235592179 287024548 /nfs/dbraw/zinc/02/45/48/287024548.db2.gz BFALTZCBVIRZFJ-UONOGXRCSA-N 2 1 264.417 2.335 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccnn1C ZINC000235592179 287024549 /nfs/dbraw/zinc/02/45/49/287024549.db2.gz BFALTZCBVIRZFJ-UONOGXRCSA-N 2 1 264.417 2.335 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351628418 287043878 /nfs/dbraw/zinc/04/38/78/287043878.db2.gz MCGRFULXUOMBMJ-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351628418 287043879 /nfs/dbraw/zinc/04/38/79/287043879.db2.gz MCGRFULXUOMBMJ-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351628418 287043880 /nfs/dbraw/zinc/04/38/80/287043880.db2.gz MCGRFULXUOMBMJ-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351628418 287043881 /nfs/dbraw/zinc/04/38/81/287043881.db2.gz MCGRFULXUOMBMJ-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC000173920725 165086365 /nfs/dbraw/zinc/08/63/65/165086365.db2.gz PTHROAKTSBVTLB-AWEZNQCLSA-N 2 1 280.387 2.478 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC000173920725 165086367 /nfs/dbraw/zinc/08/63/67/165086367.db2.gz PTHROAKTSBVTLB-AWEZNQCLSA-N 2 1 280.387 2.478 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000173920725 165086370 /nfs/dbraw/zinc/08/63/70/165086370.db2.gz PTHROAKTSBVTLB-AWEZNQCLSA-N 2 1 280.387 2.478 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000173920725 165086371 /nfs/dbraw/zinc/08/63/71/165086371.db2.gz PTHROAKTSBVTLB-AWEZNQCLSA-N 2 1 280.387 2.478 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCCCC1 ZINC000177245322 165191968 /nfs/dbraw/zinc/19/19/68/165191968.db2.gz BJMYXFHELFLWLD-CQSZACIVSA-N 2 1 268.445 2.392 20 0 CEADMP Cc1nc(C[C@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)no1 ZINC000179268959 165276016 /nfs/dbraw/zinc/27/60/16/165276016.db2.gz FPSUIXNNQRKRLZ-OAHLLOKOSA-N 2 1 292.427 2.118 20 0 CEADMP Cc1nc(C[C@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)no1 ZINC000179268959 165276017 /nfs/dbraw/zinc/27/60/17/165276017.db2.gz FPSUIXNNQRKRLZ-OAHLLOKOSA-N 2 1 292.427 2.118 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CCSC1)CC[NH2+]CC2 ZINC000335545186 287237398 /nfs/dbraw/zinc/23/73/98/287237398.db2.gz XSQXEYLAOWWVIA-CHWSQXEVSA-N 2 1 254.443 2.204 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)nc2)CC1 ZINC000020186032 171049529 /nfs/dbraw/zinc/04/95/29/171049529.db2.gz AAGHLOPWEFWNFB-UHFFFAOYSA-N 2 1 263.385 2.054 20 0 CEADMP c1cc2c(cc1C[NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)OCCO2 ZINC000037408212 173183723 /nfs/dbraw/zinc/18/37/23/173183723.db2.gz YOQZRAIURTTZNL-AWEZNQCLSA-N 2 1 288.391 2.032 20 0 CEADMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1O ZINC000040746556 174391354 /nfs/dbraw/zinc/39/13/54/174391354.db2.gz JUBDGGUEPWPOKL-PBWFPOADSA-N 2 1 276.380 2.116 20 0 CEADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1O ZINC000040746556 174391355 /nfs/dbraw/zinc/39/13/55/174391355.db2.gz JUBDGGUEPWPOKL-PBWFPOADSA-N 2 1 276.380 2.116 20 0 CEADMP CCCCN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401028026 414750460 /nfs/dbraw/zinc/75/04/60/414750460.db2.gz OLBFJGVQFDWMIS-YQQAZPJKSA-N 2 1 279.472 2.229 20 0 CEADMP c1cncc(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000063223635 414763177 /nfs/dbraw/zinc/76/31/77/414763177.db2.gz JMBXNNVRTREXRY-HOTGVXAUSA-N 2 1 259.397 2.088 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CCC(F)(F)CC1 ZINC000653872205 414764306 /nfs/dbraw/zinc/76/43/06/414764306.db2.gz RCJCRKUHTRFAEH-SMDDNHRTSA-N 2 1 290.398 2.245 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CCC(F)(F)CC1 ZINC000653872205 414764311 /nfs/dbraw/zinc/76/43/11/414764311.db2.gz RCJCRKUHTRFAEH-SMDDNHRTSA-N 2 1 290.398 2.245 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662834398 414766726 /nfs/dbraw/zinc/76/67/26/414766726.db2.gz GLKWRZRWBLGTGH-ZNMIVQPWSA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404341062 414780849 /nfs/dbraw/zinc/78/08/49/414780849.db2.gz DUXQEJLTZGTTRG-OAGGEKHMSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccccc2)[C@@H]1CC[NH3+] ZINC000404398750 414782591 /nfs/dbraw/zinc/78/25/91/414782591.db2.gz QAIPEWWKZIYZHA-GDBMZVCRSA-N 2 1 289.423 2.099 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccccc2)[C@@H]1CC[NH3+] ZINC000404398750 414782595 /nfs/dbraw/zinc/78/25/95/414782595.db2.gz QAIPEWWKZIYZHA-GDBMZVCRSA-N 2 1 289.423 2.099 20 0 CEADMP C[NH+](C)C(C)(C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000120967490 414785814 /nfs/dbraw/zinc/78/58/14/414785814.db2.gz UHXQEKNSIFWPIR-IHRRRGAJSA-N 2 1 266.429 2.264 20 0 CEADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000405297195 414792938 /nfs/dbraw/zinc/79/29/38/414792938.db2.gz LLLXBZFLDPPTAH-BYNSBNAKSA-N 2 1 254.418 2.108 20 0 CEADMP Cc1oc2ccccc2c1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000123577799 414793996 /nfs/dbraw/zinc/79/39/96/414793996.db2.gz PGMSQOQXYBRAAM-UHFFFAOYSA-N 2 1 287.407 2.078 20 0 CEADMP CCO[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000405414318 414793977 /nfs/dbraw/zinc/79/39/77/414793977.db2.gz BGPRFFKWOINPNH-IUODEOHRSA-N 2 1 298.814 2.014 20 0 CEADMP CCO[C@@H]1C[N@H+]([C@H](CC)c2ccccc2)C[C@H]1C[NH3+] ZINC000405550990 414797125 /nfs/dbraw/zinc/79/71/25/414797125.db2.gz YTJMZHJOWVFKRV-BZUAXINKSA-N 2 1 262.397 2.433 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cn3cccc(F)c3n2)C1 ZINC000657182618 414797685 /nfs/dbraw/zinc/79/76/85/414797685.db2.gz BUJLBNKYMWBZCZ-ZDUSSCGKSA-N 2 1 290.386 2.295 20 0 CEADMP Cc1cccc2c1CN(C[C@H](O)C[N@H+](C)C(C)C)CC2 ZINC000660416091 414809608 /nfs/dbraw/zinc/80/96/08/414809608.db2.gz CGZRYBGEAQJLKV-MRXNPFEDSA-N 2 1 276.424 2.054 20 0 CEADMP CC[NH+]1CCC(NCc2cc(COC)cs2)CC1 ZINC000657292551 414835698 /nfs/dbraw/zinc/83/56/98/414835698.db2.gz MTYNMVVPXRRKLI-UHFFFAOYSA-N 2 1 268.426 2.468 20 0 CEADMP Cc1nc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)[nH]c1C ZINC000657300970 414842149 /nfs/dbraw/zinc/84/21/49/414842149.db2.gz WNJIHTMBNXMPEL-UHFFFAOYSA-N 2 1 272.396 2.378 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000657306874 414848919 /nfs/dbraw/zinc/84/89/19/414848919.db2.gz ASQYUKBNVVEGQS-CYBMUJFWSA-N 2 1 288.439 2.262 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000657306874 414848925 /nfs/dbraw/zinc/84/89/25/414848925.db2.gz ASQYUKBNVVEGQS-CYBMUJFWSA-N 2 1 288.439 2.262 20 0 CEADMP CCCn1nccc1C[NH2+]C[C@H]1CC[N@H+](CCC)C1 ZINC000657324530 414859859 /nfs/dbraw/zinc/85/98/59/414859859.db2.gz CRBGGJYCIMVXEH-CQSZACIVSA-N 2 1 264.417 2.115 20 0 CEADMP CCCn1nccc1C[NH2+]C[C@H]1CC[N@@H+](CCC)C1 ZINC000657324530 414859865 /nfs/dbraw/zinc/85/98/65/414859865.db2.gz CRBGGJYCIMVXEH-CQSZACIVSA-N 2 1 264.417 2.115 20 0 CEADMP c1nc2n(c1C[NH2+]Cc1cccc3c1OCCCO3)CCC2 ZINC000657403239 414914472 /nfs/dbraw/zinc/91/44/72/414914472.db2.gz VJVHZESXNNVGRH-UHFFFAOYSA-N 2 1 299.374 2.280 20 0 CEADMP COCC(C)(C)C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343871 414921256 /nfs/dbraw/zinc/92/12/56/414921256.db2.gz IHAOUYQZCXKHNT-HNNXBMFYSA-N 2 1 268.445 2.371 20 0 CEADMP CC[N@H+]1CCC[C@@H](CNCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657336962 414869291 /nfs/dbraw/zinc/86/92/91/414869291.db2.gz BWJCVDJCLVXNKL-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP Cc1noc(C)c1[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000314455488 414870806 /nfs/dbraw/zinc/87/08/06/414870806.db2.gz GQXJEGFNGJOQJP-SNVBAGLBSA-N 2 1 262.357 2.308 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+]Cc1cnn2c1CCC2 ZINC000657346145 414873610 /nfs/dbraw/zinc/87/36/10/414873610.db2.gz YJXJKRNGNMIONE-UHFFFAOYSA-N 2 1 278.444 2.431 20 0 CEADMP CC[C@H]1CCC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000657346787 414874533 /nfs/dbraw/zinc/87/45/33/414874533.db2.gz OEACLYBACBVUDR-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000653037055 414878045 /nfs/dbraw/zinc/87/80/45/414878045.db2.gz SJRQMEQFYWCVPX-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000653037055 414878049 /nfs/dbraw/zinc/87/80/49/414878049.db2.gz SJRQMEQFYWCVPX-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000653037055 414878052 /nfs/dbraw/zinc/87/80/52/414878052.db2.gz SJRQMEQFYWCVPX-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000663186783 414881627 /nfs/dbraw/zinc/88/16/27/414881627.db2.gz AAMHVRLZTCYUBP-QWHCGFSZSA-N 2 1 276.428 2.040 20 0 CEADMP CN(c1ccccc1)[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000663499550 414971238 /nfs/dbraw/zinc/97/12/38/414971238.db2.gz CQRUNPSWEQXJFP-DLBZAZTESA-N 2 1 273.424 2.197 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000657491440 414971975 /nfs/dbraw/zinc/97/19/75/414971975.db2.gz GFCRPCKOBDKYFK-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CC(C)[C@H]([NH3+])CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000663500731 414972496 /nfs/dbraw/zinc/97/24/96/414972496.db2.gz UWENPINLMIGGRH-CYBMUJFWSA-N 2 1 295.393 2.366 20 0 CEADMP CC[C@H](COCC1CC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657563407 415001577 /nfs/dbraw/zinc/00/15/77/415001577.db2.gz SWKVLBFLDAJTRW-PMPSAXMXSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N(C)CC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000660760258 414963496 /nfs/dbraw/zinc/96/34/96/414963496.db2.gz NRYZKUMXHUEVGT-BRWVUGGUSA-N 2 1 281.488 2.379 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467493 414963986 /nfs/dbraw/zinc/96/39/86/414963986.db2.gz GDTQYJLSEWGXLR-DOMZBBRYSA-N 2 1 276.428 2.491 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467493 414963992 /nfs/dbraw/zinc/96/39/92/414963992.db2.gz GDTQYJLSEWGXLR-DOMZBBRYSA-N 2 1 276.428 2.491 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCOC1 ZINC000663470618 414964925 /nfs/dbraw/zinc/96/49/25/414964925.db2.gz VMTWUGREVYHWMG-BPUTZDHNSA-N 2 1 266.429 2.123 20 0 CEADMP COCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663472212 414965152 /nfs/dbraw/zinc/96/51/52/414965152.db2.gz ZTAUGGSEWKZFHO-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000653605469 415051651 /nfs/dbraw/zinc/05/16/51/415051651.db2.gz YPZBPWKLGSJTLU-DLBZAZTESA-N 2 1 276.424 2.430 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000653612766 415053159 /nfs/dbraw/zinc/05/31/59/415053159.db2.gz DYFPZOVPYFUZHE-HNNXBMFYSA-N 2 1 277.412 2.101 20 0 CEADMP CC(C)c1ncc(C[N@H+](C)CCCc2c[nH+]cn2C)cn1 ZINC000653661114 415067549 /nfs/dbraw/zinc/06/75/49/415067549.db2.gz AFDINSGYHAHRTF-UHFFFAOYSA-N 2 1 287.411 2.398 20 0 CEADMP CC(C)c1ncc(C[N@@H+](C)CCCc2c[nH+]cn2C)cn1 ZINC000653661114 415067552 /nfs/dbraw/zinc/06/75/52/415067552.db2.gz AFDINSGYHAHRTF-UHFFFAOYSA-N 2 1 287.411 2.398 20 0 CEADMP OC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC(F)(F)CC1 ZINC000657778683 415077043 /nfs/dbraw/zinc/07/70/43/415077043.db2.gz ULGKUKJLUBHARZ-CHWSQXEVSA-N 2 1 288.382 2.143 20 0 CEADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000657795635 415084215 /nfs/dbraw/zinc/08/42/15/415084215.db2.gz MHYGFUHOQABPMO-KSSFIOAISA-N 2 1 299.418 2.402 20 0 CEADMP Cc1ccc(C[N@@H+](C)CCCc2c[nH+]cn2C)nc1 ZINC000653732046 415086987 /nfs/dbraw/zinc/08/69/87/415086987.db2.gz SZGDFYYYGFCQOX-UHFFFAOYSA-N 2 1 258.369 2.188 20 0 CEADMP Cc1ccc(C[N@H+](C)CCCc2c[nH+]cn2C)nc1 ZINC000653732046 415086992 /nfs/dbraw/zinc/08/69/92/415086992.db2.gz SZGDFYYYGFCQOX-UHFFFAOYSA-N 2 1 258.369 2.188 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000657809001 415087733 /nfs/dbraw/zinc/08/77/33/415087733.db2.gz RQDJKKSVKMKBJT-ORQFMDKSSA-N 2 1 274.408 2.152 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000657809001 415087736 /nfs/dbraw/zinc/08/77/36/415087736.db2.gz RQDJKKSVKMKBJT-ORQFMDKSSA-N 2 1 274.408 2.152 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661090399 415091177 /nfs/dbraw/zinc/09/11/77/415091177.db2.gz CXAWWGCOUSEXMC-QGZVFWFLSA-N 2 1 287.407 2.117 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661090399 415091182 /nfs/dbraw/zinc/09/11/82/415091182.db2.gz CXAWWGCOUSEXMC-QGZVFWFLSA-N 2 1 287.407 2.117 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000653776346 415099895 /nfs/dbraw/zinc/09/98/95/415099895.db2.gz AMDRQPPYLSAETE-SDDRHHMPSA-N 2 1 282.350 2.010 20 0 CEADMP c1cc2n(n1)CCC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000657842239 415103815 /nfs/dbraw/zinc/10/38/15/415103815.db2.gz ADDXVYJYPUUJME-OAHLLOKOSA-N 2 1 274.412 2.182 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCn2nccc21 ZINC000657869729 415108730 /nfs/dbraw/zinc/10/87/30/415108730.db2.gz LFHJXTKQYNRANI-OCCSQVGLSA-N 2 1 273.384 2.149 20 0 CEADMP COC1([C@@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)CCC1 ZINC000657874741 415110117 /nfs/dbraw/zinc/11/01/17/415110117.db2.gz ZMZVTLCOEHPHFM-OAHLLOKOSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(C)(C)C(F)F ZINC000657878194 415113153 /nfs/dbraw/zinc/11/31/53/415113153.db2.gz FDASMRPRLPSHGI-CHWSQXEVSA-N 2 1 292.414 2.493 20 0 CEADMP CCOC1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000657892781 415116805 /nfs/dbraw/zinc/11/68/05/415116805.db2.gz YLINZPLXKCLXQH-JLVJUDLZSA-N 2 1 254.418 2.406 20 0 CEADMP CCOC1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000657892781 415116807 /nfs/dbraw/zinc/11/68/07/415116807.db2.gz YLINZPLXKCLXQH-JLVJUDLZSA-N 2 1 254.418 2.406 20 0 CEADMP FC(F)(F)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000043326931 175008576 /nfs/dbraw/zinc/00/85/76/175008576.db2.gz FGQXDNCMOPSETP-HBNTYKKESA-N 2 1 250.308 2.449 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1CCCn2nccc21)C1CC1 ZINC000658031008 415165308 /nfs/dbraw/zinc/16/53/08/415165308.db2.gz INWRDHZGKCQKPL-AWEZNQCLSA-N 2 1 262.401 2.182 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229930 415263949 /nfs/dbraw/zinc/26/39/49/415263949.db2.gz VAZPMKHWFIYSNV-YCPHGPKFSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229930 415263956 /nfs/dbraw/zinc/26/39/56/415263956.db2.gz VAZPMKHWFIYSNV-YCPHGPKFSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000658229739 415264414 /nfs/dbraw/zinc/26/44/14/415264414.db2.gz TZGRFZHEXFAULL-VKJFTORMSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000658229739 415264422 /nfs/dbraw/zinc/26/44/22/415264422.db2.gz TZGRFZHEXFAULL-VKJFTORMSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229739 415264426 /nfs/dbraw/zinc/26/44/26/415264426.db2.gz TZGRFZHEXFAULL-VKJFTORMSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229739 415264431 /nfs/dbraw/zinc/26/44/31/415264431.db2.gz TZGRFZHEXFAULL-VKJFTORMSA-N 2 1 291.483 2.466 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661439713 415264836 /nfs/dbraw/zinc/26/48/36/415264836.db2.gz BIHMOSQGMIHKSC-HUUCEWRRSA-N 2 1 256.434 2.201 20 0 CEADMP OC1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000658228298 415264854 /nfs/dbraw/zinc/26/48/54/415264854.db2.gz HESXVWAKOGEUOC-NPCAHTBFSA-N 2 1 266.429 2.287 20 0 CEADMP OC1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000658228298 415264858 /nfs/dbraw/zinc/26/48/58/415264858.db2.gz HESXVWAKOGEUOC-NPCAHTBFSA-N 2 1 266.429 2.287 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229927 415265397 /nfs/dbraw/zinc/26/53/97/415265397.db2.gz VAZPMKHWFIYSNV-FMKPAKJESA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229927 415265400 /nfs/dbraw/zinc/26/54/00/415265400.db2.gz VAZPMKHWFIYSNV-FMKPAKJESA-N 2 1 266.429 2.408 20 0 CEADMP COC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(OC)c1 ZINC000661469123 415275149 /nfs/dbraw/zinc/27/51/49/415275149.db2.gz FRAZKLXEOLAZNO-MRXNPFEDSA-N 2 1 289.379 2.177 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1[nH+]ccc2[nH]ccc21 ZINC000664196402 415220904 /nfs/dbraw/zinc/22/09/04/415220904.db2.gz SDGGJBQUKFVSSP-ZDUSSCGKSA-N 3 1 289.427 2.247 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1[nH+]ccc2[nH]ccc21 ZINC000664196402 415220917 /nfs/dbraw/zinc/22/09/17/415220917.db2.gz SDGGJBQUKFVSSP-ZDUSSCGKSA-N 3 1 289.427 2.247 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C=C/CO ZINC000658132313 415224977 /nfs/dbraw/zinc/22/49/77/415224977.db2.gz GZUQDHCLWAMBBT-AMFYOEQGSA-N 2 1 274.408 2.035 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661490525 415289380 /nfs/dbraw/zinc/28/93/80/415289380.db2.gz NJOLQBNHEJCUGW-IYBDPMFKSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661490525 415289385 /nfs/dbraw/zinc/28/93/85/415289385.db2.gz NJOLQBNHEJCUGW-IYBDPMFKSA-N 2 1 277.412 2.330 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000658354936 415337575 /nfs/dbraw/zinc/33/75/75/415337575.db2.gz GKBYQUKBYLUZQR-CRAIPNDOSA-N 3 1 293.499 2.428 20 0 CEADMP CCN1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000658354936 415337585 /nfs/dbraw/zinc/33/75/85/415337585.db2.gz GKBYQUKBYLUZQR-CRAIPNDOSA-N 2 1 293.499 2.428 20 0 CEADMP Cc1ccsc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655700879 415396963 /nfs/dbraw/zinc/39/69/63/415396963.db2.gz PMZMBZRYIYKUIZ-CQSZACIVSA-N 2 1 280.437 2.399 20 0 CEADMP C(COC1CCCCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655702347 415397268 /nfs/dbraw/zinc/39/72/68/415397268.db2.gz UMUFVCSLGWHCFN-INIZCTEOSA-N 2 1 296.455 2.179 20 0 CEADMP C1=CC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655700541 415397909 /nfs/dbraw/zinc/39/79/09/415397909.db2.gz MIYUOPIRFIASCY-GOEBONIOSA-N 2 1 264.413 2.186 20 0 CEADMP CC(C)(CO)CCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655714758 415403859 /nfs/dbraw/zinc/40/38/59/415403859.db2.gz CKJNCAHTPJEYMK-MRXNPFEDSA-N 2 1 298.471 2.018 20 0 CEADMP CC(C)(C)OCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655742357 415430013 /nfs/dbraw/zinc/43/00/13/415430013.db2.gz QTTJDRHDMUDSFS-OAHLLOKOSA-N 2 1 284.444 2.035 20 0 CEADMP CCC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCOCC1 ZINC000655719105 415408564 /nfs/dbraw/zinc/40/85/64/415408564.db2.gz QJKOQMQBYKQLTE-INIZCTEOSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@@H](O)CC(C)(C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655728772 415419029 /nfs/dbraw/zinc/41/90/29/415419029.db2.gz CLSYBSJNPSHIOQ-GDBMZVCRSA-N 2 1 298.471 2.017 20 0 CEADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1(C2CC2)CC1 ZINC000655736320 415421779 /nfs/dbraw/zinc/42/17/79/415421779.db2.gz DDYWCZYEAPMQEF-HNNXBMFYSA-N 2 1 264.413 2.020 20 0 CEADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C12CCC(CC1)C2 ZINC000655736368 415422064 /nfs/dbraw/zinc/42/20/64/415422064.db2.gz GAHFMLHSNCCUSY-WIHSUSGWSA-N 2 1 278.440 2.410 20 0 CEADMP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000655692050 415388529 /nfs/dbraw/zinc/38/85/29/415388529.db2.gz CSIIEOKOSNOLNY-MRXNPFEDSA-N 2 1 292.398 2.477 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH2+]C)c2)C1 ZINC000659017743 415389213 /nfs/dbraw/zinc/38/92/13/415389213.db2.gz BEMUCNHNZBLUNY-HNNXBMFYSA-N 2 1 290.411 2.012 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661858238 415501179 /nfs/dbraw/zinc/50/11/79/415501179.db2.gz QILNCKKMEIBTOO-KGLIPLIRSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661858238 415501185 /nfs/dbraw/zinc/50/11/85/415501185.db2.gz QILNCKKMEIBTOO-KGLIPLIRSA-N 2 1 265.401 2.471 20 0 CEADMP C(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C[C@@H]1CCCCO1 ZINC000655755282 415438747 /nfs/dbraw/zinc/43/87/47/415438747.db2.gz WAAMCGGYAQPWAY-SJORKVTESA-N 2 1 296.455 2.179 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCCSC1 ZINC000655768623 415447161 /nfs/dbraw/zinc/44/71/61/415447161.db2.gz KMWUNBUGUPRQCT-ZBFHGGJFSA-N 2 1 298.496 2.363 20 0 CEADMP C(COCC1CCCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655774962 415456266 /nfs/dbraw/zinc/45/62/66/415456266.db2.gz NJDIKRPGASKRTG-KRWDZBQOSA-N 2 1 296.455 2.036 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000655793195 415471521 /nfs/dbraw/zinc/47/15/21/415471521.db2.gz VYVOMMLYBZLZFN-SRABZTEZSA-N 2 1 278.440 2.408 20 0 CEADMP CC[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000661863393 415505352 /nfs/dbraw/zinc/50/53/52/415505352.db2.gz NRHMVNLPINYSGI-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C1C[C@@H]2C[C@H](N[C@H]3CCC[NH+]4CCCC[C@@H]34)CC[N@H+]2C1 ZINC000655849037 415517280 /nfs/dbraw/zinc/51/72/80/415517280.db2.gz PDAHXXMDCXEHKB-NCOADZHNSA-N 2 1 277.456 2.220 20 0 CEADMP C1C[C@@H]2C[C@H](N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC[NH+]2C1 ZINC000655849037 415517285 /nfs/dbraw/zinc/51/72/85/415517285.db2.gz PDAHXXMDCXEHKB-NCOADZHNSA-N 2 1 277.456 2.220 20 0 CEADMP C1C[C@@H]2C[C@H](N[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC[NH+]2C1 ZINC000655849037 415517291 /nfs/dbraw/zinc/51/72/91/415517291.db2.gz PDAHXXMDCXEHKB-NCOADZHNSA-N 2 1 277.456 2.220 20 0 CEADMP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCCN4CCCC[C@@H]34)CC[N@@H+]2C1 ZINC000655849037 415517296 /nfs/dbraw/zinc/51/72/96/415517296.db2.gz PDAHXXMDCXEHKB-NCOADZHNSA-N 3 1 277.456 2.220 20 0 CEADMP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCCN4CCCC[C@@H]34)CC[N@H+]2C1 ZINC000655849037 415517301 /nfs/dbraw/zinc/51/73/01/415517301.db2.gz PDAHXXMDCXEHKB-NCOADZHNSA-N 3 1 277.456 2.220 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCc1noc3ccccc31)C2 ZINC000655942624 415558717 /nfs/dbraw/zinc/55/87/17/415558717.db2.gz WBCFMRUPLLFAPL-GUYCJALGSA-N 2 1 285.391 2.431 20 0 CEADMP C(C[N@H+]1CCC[C@@H](OC2CCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000655947651 415559361 /nfs/dbraw/zinc/55/93/61/415559361.db2.gz USAZEFHPRLMRQH-DZGCQCFKSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)(CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000655939398 415560552 /nfs/dbraw/zinc/56/05/52/415560552.db2.gz PGFGDBLKNRAXEK-HNNXBMFYSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)(CC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CC1 ZINC000655941600 415560584 /nfs/dbraw/zinc/56/05/84/415560584.db2.gz XWTQRRBFPMOHRK-OAHLLOKOSA-N 2 1 280.456 2.500 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662064541 415604638 /nfs/dbraw/zinc/60/46/38/415604638.db2.gz SMXFHWWSXNJQFT-MRXNPFEDSA-N 2 1 271.364 2.345 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662064541 415604642 /nfs/dbraw/zinc/60/46/42/415604642.db2.gz SMXFHWWSXNJQFT-MRXNPFEDSA-N 2 1 271.364 2.345 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](OC3CCC3)C2)CC[NH2+]1 ZINC000656193712 415629207 /nfs/dbraw/zinc/62/92/07/415629207.db2.gz PZOUWLWZZRNULF-FMKPAKJESA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)C[C@@H](CN1CCCC1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656199075 415634237 /nfs/dbraw/zinc/63/42/37/415634237.db2.gz JXGORWKWTSAMHR-PMPSAXMXSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@H]([NH2+]CCc1noc2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000665232567 415635139 /nfs/dbraw/zinc/63/51/39/415635139.db2.gz PHXIGKJVSCJDRY-AAEUAGOBSA-N 2 1 259.353 2.100 20 0 CEADMP CCc1nc(C)cc(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000656210158 415643162 /nfs/dbraw/zinc/64/31/62/415643162.db2.gz AWDWLINPSLBQGD-MELADBBJSA-N 2 1 292.427 2.257 20 0 CEADMP Cc1cccnc1[C@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000665242453 415645808 /nfs/dbraw/zinc/64/58/08/415645808.db2.gz YMPAMINFHBOAID-KKUMJFAQSA-N 2 1 259.397 2.368 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254667 415654534 /nfs/dbraw/zinc/65/45/34/415654534.db2.gz WMWREUVQSIUQIR-BASLNEPJSA-N 2 1 292.398 2.286 20 0 CEADMP Cc1cc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(C)s1 ZINC000662151199 415657231 /nfs/dbraw/zinc/65/72/31/415657231.db2.gz GAQZMZCXQWBHJR-MRXNPFEDSA-N 2 1 294.464 2.396 20 0 CEADMP Cc1cc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C)s1 ZINC000662151199 415657236 /nfs/dbraw/zinc/65/72/36/415657236.db2.gz GAQZMZCXQWBHJR-MRXNPFEDSA-N 2 1 294.464 2.396 20 0 CEADMP Cc1cc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(C)s1 ZINC000662151199 415657241 /nfs/dbraw/zinc/65/72/41/415657241.db2.gz GAQZMZCXQWBHJR-MRXNPFEDSA-N 2 1 294.464 2.396 20 0 CEADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000665274997 415665979 /nfs/dbraw/zinc/66/59/79/415665979.db2.gz AJUMCNWVKOJZSC-BPLDGKMQSA-N 2 1 254.418 2.312 20 0 CEADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000665281979 415673651 /nfs/dbraw/zinc/67/36/51/415673651.db2.gz NVPNNKFSNHXVCX-ZJIFWQFVSA-N 3 1 267.461 2.260 20 0 CEADMP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000665291021 415681124 /nfs/dbraw/zinc/68/11/24/415681124.db2.gz RTBZKXGYLUCGMT-GFCCVEGCSA-N 2 1 286.379 2.109 20 0 CEADMP [NH3+]CC1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000665299200 415684380 /nfs/dbraw/zinc/68/43/80/415684380.db2.gz IJEFWVLAGQZFIO-WIHSUSGWSA-N 3 1 279.472 2.216 20 0 CEADMP C[N@@H+](CCNC(=O)C[C@@H]([NH3+])c1ccccc1)C1CCCC1 ZINC000071378676 176143830 /nfs/dbraw/zinc/14/38/30/176143830.db2.gz PHIXJZZFABBQCC-MRXNPFEDSA-N 2 1 289.423 2.067 20 0 CEADMP CCC1(CC)CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255396 415718577 /nfs/dbraw/zinc/71/85/77/415718577.db2.gz OYXQZOKYVJLFKL-CYBMUJFWSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662253995 415721996 /nfs/dbraw/zinc/72/19/96/415721996.db2.gz DFCYKLUJLXUSJP-LSDHHAIUSA-N 2 1 266.429 2.266 20 0 CEADMP C[NH2+][C@@H](C)c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468643 415726296 /nfs/dbraw/zinc/72/62/96/415726296.db2.gz PZVVIPWXKOKDQY-HOCLYGCPSA-N 2 1 299.422 2.081 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+])C1CCCC1 ZINC000662235342 415698617 /nfs/dbraw/zinc/69/86/17/415698617.db2.gz QVFCKRSRIOGMJD-AEGPPILISA-N 2 1 254.418 2.393 20 0 CEADMP c1ccc(COCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000662236198 415701160 /nfs/dbraw/zinc/70/11/60/415701160.db2.gz VKIKJMJNGOTEOH-UHFFFAOYSA-N 2 1 274.408 2.420 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)C1CCCCC1 ZINC000662242617 415704514 /nfs/dbraw/zinc/70/45/14/415704514.db2.gz CTXSXIFVNXTWEN-VHDGCEQUSA-N 2 1 254.418 2.251 20 0 CEADMP C[N@@H+](CCCc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250435 415711424 /nfs/dbraw/zinc/71/14/24/415711424.db2.gz HWAJOXCKWAOCAL-MRXNPFEDSA-N 2 1 274.408 2.072 20 0 CEADMP CCC(CC)C[N@@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251284 415714414 /nfs/dbraw/zinc/71/44/14/415714414.db2.gz CHSDUHJJVJRADV-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP FC1(F)C[C@@H]1OCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662273569 415739320 /nfs/dbraw/zinc/73/93/20/415739320.db2.gz OLQMMMLSKWIYDF-RDBSUJKOSA-N 2 1 288.382 2.122 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2c(c1)C[NH2+]CC2 ZINC000662275084 415742913 /nfs/dbraw/zinc/74/29/13/415742913.db2.gz RJSGWALCSKSOBQ-RDJZCZTQSA-N 3 1 299.462 2.154 20 0 CEADMP CC[C@H](CC(F)F)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000662274842 415743168 /nfs/dbraw/zinc/74/31/68/415743168.db2.gz XPFRNNGZDFHEQM-OLZOCXBDSA-N 2 1 290.398 2.355 20 0 CEADMP c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c2c(c1)C[NH2+]CC2 ZINC000662277959 415746198 /nfs/dbraw/zinc/74/61/98/415746198.db2.gz YMIFNCXWDAAPQC-VQIMIIECSA-N 3 1 299.462 2.296 20 0 CEADMP c1cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c2c(c1)C[NH2+]CC2 ZINC000662277959 415746204 /nfs/dbraw/zinc/74/62/04/415746204.db2.gz YMIFNCXWDAAPQC-VQIMIIECSA-N 2 1 299.462 2.296 20 0 CEADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000662282482 415747604 /nfs/dbraw/zinc/74/76/04/415747604.db2.gz VTRUWITZEJVQAP-ZIAGYGMSSA-N 2 1 254.418 2.252 20 0 CEADMP CCc1nocc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000662283440 415747685 /nfs/dbraw/zinc/74/76/85/415747685.db2.gz OHGTZYIZKWGJCX-SRVKXCTJSA-N 2 1 251.374 2.042 20 0 CEADMP CCc1nocc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000662283440 415747693 /nfs/dbraw/zinc/74/76/93/415747693.db2.gz OHGTZYIZKWGJCX-SRVKXCTJSA-N 2 1 251.374 2.042 20 0 CEADMP c1c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)onc1C1CC1 ZINC000662274089 415738265 /nfs/dbraw/zinc/73/82/65/415738265.db2.gz RAMSSQXFSMRUEK-UONOGXRCSA-N 2 1 275.396 2.374 20 0 CEADMP C(c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298893 415762028 /nfs/dbraw/zinc/76/20/28/415762028.db2.gz XZIPRZVEFBDBMY-CQSZACIVSA-N 2 1 290.411 2.159 20 0 CEADMP COc1ccc(OCCC[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000662298507 415762616 /nfs/dbraw/zinc/76/26/16/415762616.db2.gz ZBWJRZPXWKSUMF-UHFFFAOYSA-N 2 1 266.385 2.133 20 0 CEADMP COc1ccc(OCCC[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000662298507 415762619 /nfs/dbraw/zinc/76/26/19/415762619.db2.gz ZBWJRZPXWKSUMF-UHFFFAOYSA-N 2 1 266.385 2.133 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])ncn1 ZINC000662313172 415774159 /nfs/dbraw/zinc/77/41/59/415774159.db2.gz KMLYQFSBLPKFBS-IUODEOHRSA-N 2 1 262.401 2.124 20 0 CEADMP C[C@@H]1[C@@H](C(F)(F)F)OCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000662315945 415774829 /nfs/dbraw/zinc/77/48/29/415774829.db2.gz QVFWRIFGPDCQCF-WOPDTQHZSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1[C@@H](C(F)(F)F)OCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000662315945 415774834 /nfs/dbraw/zinc/77/48/34/415774834.db2.gz QVFWRIFGPDCQCF-WOPDTQHZSA-N 2 1 280.334 2.028 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)s1 ZINC000662319978 415776276 /nfs/dbraw/zinc/77/62/76/415776276.db2.gz NUUUGVXFQACVCJ-AWEZNQCLSA-N 2 1 297.468 2.303 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)s1 ZINC000662319978 415776283 /nfs/dbraw/zinc/77/62/83/415776283.db2.gz NUUUGVXFQACVCJ-AWEZNQCLSA-N 2 1 297.468 2.303 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C[NH3+] ZINC000662284070 415753651 /nfs/dbraw/zinc/75/36/51/415753651.db2.gz SQXARBCYNUNDOF-CPUCHLNUSA-N 3 1 287.451 2.138 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCC3CCC3)C2)C1 ZINC000662286545 415756686 /nfs/dbraw/zinc/75/66/86/415756686.db2.gz QDXAKPFUBUDLJO-XHSDSOJGSA-N 2 1 266.429 2.395 20 0 CEADMP CO[C@H](C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)[C@H]1CCOC1 ZINC000659876674 415757065 /nfs/dbraw/zinc/75/70/65/415757065.db2.gz LCYVJJVOZQQQFV-DLBZAZTESA-N 2 1 298.471 2.090 20 0 CEADMP C[C@H](c1cnccn1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292208 415757177 /nfs/dbraw/zinc/75/71/77/415757177.db2.gz CCQRCIRLNSOMQE-HIFRSBDPSA-N 2 1 274.412 2.249 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)no1 ZINC000662295587 415757896 /nfs/dbraw/zinc/75/78/96/415757896.db2.gz VLHGUJDKOPZYON-CQSZACIVSA-N 2 1 263.385 2.195 20 0 CEADMP CCc1nnc([C@@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)[nH]1 ZINC000662295617 415758061 /nfs/dbraw/zinc/75/80/61/415758061.db2.gz VSUCIPGAYDNFIQ-TZMCWYRMSA-N 2 1 291.443 2.140 20 0 CEADMP CC/C=C\CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325806 415781187 /nfs/dbraw/zinc/78/11/87/415781187.db2.gz PYYWLTAYFKEBPT-YVACAVLKSA-N 2 1 254.418 2.385 20 0 CEADMP O[C@]1(C(F)(F)F)CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000656630566 415790739 /nfs/dbraw/zinc/79/07/39/415790739.db2.gz YMGNGTZPWGVOQB-WCQYABFASA-N 2 1 292.345 2.049 20 0 CEADMP COCC1([NH2+]CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC000662341667 415791890 /nfs/dbraw/zinc/79/18/90/415791890.db2.gz RZRNQQXTTVYZTD-AWEZNQCLSA-N 2 1 254.418 2.410 20 0 CEADMP C[N@@H+](CCOCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000659949295 415801999 /nfs/dbraw/zinc/80/19/99/415801999.db2.gz SMBACDJAURZYRC-KRWDZBQOSA-N 2 1 276.424 2.477 20 0 CEADMP C[NH+](CCOCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000659949295 415802003 /nfs/dbraw/zinc/80/20/03/415802003.db2.gz SMBACDJAURZYRC-KRWDZBQOSA-N 2 1 276.424 2.477 20 0 CEADMP C[NH+](CCOCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000659949295 415802006 /nfs/dbraw/zinc/80/20/06/415802006.db2.gz SMBACDJAURZYRC-KRWDZBQOSA-N 2 1 276.424 2.477 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2COC(C)(C)C2)C1 ZINC000659975533 415817470 /nfs/dbraw/zinc/81/74/70/415817470.db2.gz XDDJRDDAJTWRFR-CABCVRRESA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659975533 415817474 /nfs/dbraw/zinc/81/74/74/415817474.db2.gz XDDJRDDAJTWRFR-CABCVRRESA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659975533 415817475 /nfs/dbraw/zinc/81/74/75/415817475.db2.gz XDDJRDDAJTWRFR-CABCVRRESA-N 2 1 266.429 2.218 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@H](O)C2)C[C@H]1C ZINC000659983637 415824822 /nfs/dbraw/zinc/82/48/22/415824822.db2.gz RMNMOAWPNRFVCX-WCVJEAGWSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC[C@H](O)C2)C[C@H]1C ZINC000659983637 415824826 /nfs/dbraw/zinc/82/48/26/415824826.db2.gz RMNMOAWPNRFVCX-WCVJEAGWSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC[C@H](O)C2)C[C@H]1C ZINC000659983637 415824828 /nfs/dbraw/zinc/82/48/28/415824828.db2.gz RMNMOAWPNRFVCX-WCVJEAGWSA-N 2 1 268.445 2.342 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)C1 ZINC000660074318 415872381 /nfs/dbraw/zinc/87/23/81/415872381.db2.gz MQSBXDIVQNRQNT-BDXSIMOUSA-N 2 1 291.483 2.134 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)CCO1 ZINC000660112632 415883976 /nfs/dbraw/zinc/88/39/76/415883976.db2.gz KCBMFQKIVLMZEL-YJNKXOJESA-N 2 1 263.385 2.334 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000660122518 415889930 /nfs/dbraw/zinc/88/99/30/415889930.db2.gz WWFHCCYTBCHKQC-RBSFLKMASA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000660122518 415889934 /nfs/dbraw/zinc/88/99/34/415889934.db2.gz WWFHCCYTBCHKQC-RBSFLKMASA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000660122518 415889938 /nfs/dbraw/zinc/88/99/38/415889938.db2.gz WWFHCCYTBCHKQC-RBSFLKMASA-N 2 1 256.434 2.056 20 0 CEADMP CC[NH+]1C[C@H](C)N(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000660152981 415905948 /nfs/dbraw/zinc/90/59/48/415905948.db2.gz CKJKDQYZQZSMJD-YVSFHVDLSA-N 2 1 281.488 2.379 20 0 CEADMP CC[NH+]1C[C@H](C)N(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000660152981 415905951 /nfs/dbraw/zinc/90/59/51/415905951.db2.gz CKJKDQYZQZSMJD-YVSFHVDLSA-N 2 1 281.488 2.379 20 0 CEADMP C[C@@H]1C[N@@H+](CCC2CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660155209 415907353 /nfs/dbraw/zinc/90/73/53/415907353.db2.gz MRKKHJDYXRHMGE-NVXWUHKLSA-N 2 1 279.472 2.134 20 0 CEADMP CCc1nnc([C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)[nH]1 ZINC000660155276 415907653 /nfs/dbraw/zinc/90/76/53/415907653.db2.gz ALWFXAAAUTWENI-CYBMUJFWSA-N 2 1 293.459 2.482 20 0 CEADMP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)C1CC[NH2+]CC1 ZINC000662623633 415908725 /nfs/dbraw/zinc/90/87/25/415908725.db2.gz ZLQFSRNRSRMRKA-UKRRQHHQSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC[NH2+]1 ZINC000656783310 415858972 /nfs/dbraw/zinc/85/89/72/415858972.db2.gz OWCRJOXPTZAGFJ-HLLBOEOZSA-N 3 1 279.472 2.086 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC[NH2+]1 ZINC000656783312 415860347 /nfs/dbraw/zinc/86/03/47/415860347.db2.gz OWCRJOXPTZAGFJ-VYDXJSESSA-N 3 1 279.472 2.086 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CCCC1 ZINC000656788305 415862036 /nfs/dbraw/zinc/86/20/36/415862036.db2.gz IRKVQVYPOWSMAA-UHFFFAOYSA-N 2 1 296.798 2.472 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662682980 415931086 /nfs/dbraw/zinc/93/10/86/415931086.db2.gz MFRMWDCBEWPCIC-GJZGRUSLSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cocn2)C1 ZINC000192286685 287347661 /nfs/dbraw/zinc/34/76/61/287347661.db2.gz QQYIMOPYGLHSQZ-CYBMUJFWSA-N 2 1 251.374 2.276 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cocn2)C1 ZINC000192286685 287347664 /nfs/dbraw/zinc/34/76/64/287347664.db2.gz QQYIMOPYGLHSQZ-CYBMUJFWSA-N 2 1 251.374 2.276 20 0 CEADMP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1F ZINC000666762276 419421849 /nfs/dbraw/zinc/42/18/49/419421849.db2.gz MEKCRIHSJAXRNP-FUNVUKJBSA-N 2 1 264.344 2.207 20 0 CEADMP COC[C@@]1(C[NH2+]CC(C)(C)c2ccccc2)CCC[NH2+]1 ZINC000666889964 419458754 /nfs/dbraw/zinc/45/87/54/419458754.db2.gz VPMKCSPJLXIMGJ-KRWDZBQOSA-N 2 1 276.424 2.322 20 0 CEADMP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nc1 ZINC000666968906 419498051 /nfs/dbraw/zinc/49/80/51/419498051.db2.gz AZYJNGWGZWRDEQ-RHSMWYFYSA-N 2 1 289.423 2.444 20 0 CEADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nc1 ZINC000666968906 419498056 /nfs/dbraw/zinc/49/80/56/419498056.db2.gz AZYJNGWGZWRDEQ-RHSMWYFYSA-N 2 1 289.423 2.444 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@H]1NCc1cccc2c1OC(F)(F)O2 ZINC000666285416 419612728 /nfs/dbraw/zinc/61/27/28/419612728.db2.gz HXKQSJFPHBUZQL-MWLCHTKSSA-N 2 1 284.306 2.048 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCc1cccc2c1OC(F)(F)O2 ZINC000666285416 419612735 /nfs/dbraw/zinc/61/27/35/419612735.db2.gz HXKQSJFPHBUZQL-MWLCHTKSSA-N 2 1 284.306 2.048 20 0 CEADMP COCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CCCC1 ZINC000666624771 419753234 /nfs/dbraw/zinc/75/32/34/419753234.db2.gz LOZLUQKYDMSNLD-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667665038 419765635 /nfs/dbraw/zinc/76/56/35/419765635.db2.gz XBQPIIORBOFUMS-CHWSQXEVSA-N 2 1 256.353 2.498 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667665038 419765637 /nfs/dbraw/zinc/76/56/37/419765637.db2.gz XBQPIIORBOFUMS-CHWSQXEVSA-N 2 1 256.353 2.498 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000449101672 260218559 /nfs/dbraw/zinc/21/85/59/260218559.db2.gz VBTNNAVOQFXRML-SOUVJXGZSA-N 2 1 297.487 2.247 20 0 CEADMP C[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000390557704 262217381 /nfs/dbraw/zinc/21/73/81/262217381.db2.gz JCTVEDZQZSANGT-OIISXLGYSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000390557704 262217383 /nfs/dbraw/zinc/21/73/83/262217383.db2.gz JCTVEDZQZSANGT-OIISXLGYSA-N 2 1 275.440 2.224 20 0 CEADMP COC[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000452075131 263034384 /nfs/dbraw/zinc/03/43/84/263034384.db2.gz ANTJSXWVRGUIFB-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000452075131 263034385 /nfs/dbraw/zinc/03/43/85/263034385.db2.gz ANTJSXWVRGUIFB-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000452075131 263034386 /nfs/dbraw/zinc/03/43/86/263034386.db2.gz ANTJSXWVRGUIFB-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](Cn2cccn2)C(C)C)C1 ZINC000453103918 263189340 /nfs/dbraw/zinc/18/93/40/263189340.db2.gz XXSNJIADKOEIQW-HZPDHXFCSA-N 2 1 278.444 2.229 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cn2cccn2)C(C)C)C1 ZINC000453103917 263189428 /nfs/dbraw/zinc/18/94/28/263189428.db2.gz XXSNJIADKOEIQW-HOTGVXAUSA-N 2 1 278.444 2.229 20 0 CEADMP CC(C)OCCOC1CC[NH+]([C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000453361028 263249408 /nfs/dbraw/zinc/24/94/08/263249408.db2.gz NFEAINITOGDDIM-CVEARBPZSA-N 2 1 298.471 2.375 20 0 CEADMP CC(C)OCCOC1CC[NH+]([C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000453361028 263249409 /nfs/dbraw/zinc/24/94/09/263249409.db2.gz NFEAINITOGDDIM-CVEARBPZSA-N 2 1 298.471 2.375 20 0 CEADMP CCC(O)(CC)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000471787561 263263733 /nfs/dbraw/zinc/26/37/33/263263733.db2.gz MUDIBUIECDSPMQ-MELADBBJSA-N 2 1 256.434 2.246 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C1CC1 ZINC000425415509 264292911 /nfs/dbraw/zinc/29/29/11/264292911.db2.gz GRHYUFQQWIAGMU-GDBMZVCRSA-N 2 1 266.429 2.075 20 0 CEADMP CO[C@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CC1 ZINC000425415509 264292912 /nfs/dbraw/zinc/29/29/12/264292912.db2.gz GRHYUFQQWIAGMU-GDBMZVCRSA-N 2 1 266.429 2.075 20 0 CEADMP CO[C@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CC1 ZINC000425415509 264292913 /nfs/dbraw/zinc/29/29/13/264292913.db2.gz GRHYUFQQWIAGMU-GDBMZVCRSA-N 2 1 266.429 2.075 20 0 CEADMP Cc1c[nH+]ccc1NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000191978018 270276071 /nfs/dbraw/zinc/27/60/71/270276071.db2.gz WLGKCQZSQZNDIO-OKILXGFUSA-N 2 1 263.385 2.301 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192766431 270280367 /nfs/dbraw/zinc/28/03/67/270280367.db2.gz WZEUGORTLUNUKF-OAHLLOKOSA-N 2 1 255.450 2.133 20 0 CEADMP CCC(CC)[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000221976558 270308325 /nfs/dbraw/zinc/30/83/25/270308325.db2.gz ABXGBJWSZLYPPX-BPUTZDHNSA-N 2 1 269.477 2.425 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395158285 270345652 /nfs/dbraw/zinc/34/56/52/270345652.db2.gz HBQMJBUWGJTWAN-ZFWWWQNUSA-N 2 1 286.423 2.465 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421018068 270583625 /nfs/dbraw/zinc/58/36/25/270583625.db2.gz NVDRRDRDALASJD-MRXNPFEDSA-N 2 1 279.428 2.456 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421018068 270583627 /nfs/dbraw/zinc/58/36/27/270583627.db2.gz NVDRRDRDALASJD-MRXNPFEDSA-N 2 1 279.428 2.456 20 0 CEADMP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422722856 270741113 /nfs/dbraw/zinc/74/11/13/270741113.db2.gz PXGHLCOTXRSPRU-FGTMMUONSA-N 3 1 291.483 2.371 20 0 CEADMP COc1cccc([C@H](CN[C@H](C)C[C@H](C)[NH3+])[NH+](C)C)c1 ZINC000422733332 270745003 /nfs/dbraw/zinc/74/50/03/270745003.db2.gz QTSBBFCZBHGEGX-ZENOOKHLSA-N 2 1 279.428 2.013 20 0 CEADMP C[C@H](NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422758122 270755367 /nfs/dbraw/zinc/75/53/67/270755367.db2.gz KHXFZBKZJPPMMB-XUWVNRHRSA-N 2 1 281.488 2.473 20 0 CEADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000423041067 270823840 /nfs/dbraw/zinc/82/38/40/270823840.db2.gz INQSTEQEQIOZSC-GBJTYRQASA-N 2 1 254.418 2.168 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)CC2 ZINC000423067896 270826630 /nfs/dbraw/zinc/82/66/30/270826630.db2.gz ANVAOXDSMYNQEZ-CFVMTHIKSA-N 2 1 276.428 2.051 20 0 CEADMP CC(C)(C[C@@H]1CCC[N@H+](C2CCC(C[NH3+])CC2)C1)C(N)=O ZINC000423154998 270853811 /nfs/dbraw/zinc/85/38/11/270853811.db2.gz IMNCSZDBLMJLES-SLTAFYQDSA-N 2 1 295.471 2.118 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CC(F)(F)F ZINC000423195072 270867589 /nfs/dbraw/zinc/86/75/89/270867589.db2.gz XLHKOEQNLQARPV-WUHRBBMRSA-N 2 1 294.361 2.322 20 0 CEADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423212866 270872120 /nfs/dbraw/zinc/87/21/20/270872120.db2.gz KKMCGSFMRVAZNX-UIBBOPPKSA-N 2 1 260.381 2.139 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCCS2 ZINC000423443108 270912574 /nfs/dbraw/zinc/91/25/74/270912574.db2.gz VLBJLORJWGNRHK-KNCOVGOOSA-N 2 1 290.432 2.430 20 0 CEADMP CC(C)COCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424282795 271038928 /nfs/dbraw/zinc/03/89/28/271038928.db2.gz ANUUSEXNANOAKG-CQSZACIVSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](C1CCC1)C1CCCCC1 ZINC000424325562 271045018 /nfs/dbraw/zinc/04/50/18/271045018.db2.gz XOZXSERJMVWHIB-HZPDHXFCSA-N 2 1 268.445 2.248 20 0 CEADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000424365719 271051186 /nfs/dbraw/zinc/05/11/86/271051186.db2.gz HRYBIXLVSXGJNI-HUUCEWRRSA-N 2 1 274.412 2.041 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000426313682 271211012 /nfs/dbraw/zinc/21/10/12/271211012.db2.gz NOHKXSHKWWSHOE-YCPHGPKFSA-N 2 1 291.414 2.334 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000426313682 271211016 /nfs/dbraw/zinc/21/10/16/271211016.db2.gz NOHKXSHKWWSHOE-YCPHGPKFSA-N 2 1 291.414 2.334 20 0 CEADMP COCC(C)(C)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000426394892 271218331 /nfs/dbraw/zinc/21/83/31/271218331.db2.gz KSWNAZUQKHFLNO-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP COCC(C)(C)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000426394892 271218325 /nfs/dbraw/zinc/21/83/25/271218325.db2.gz KSWNAZUQKHFLNO-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP COCC(C)(C)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000426394892 271218328 /nfs/dbraw/zinc/21/83/28/271218328.db2.gz KSWNAZUQKHFLNO-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP COCC(C)(C)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000426394891 271218545 /nfs/dbraw/zinc/21/85/45/271218545.db2.gz KSWNAZUQKHFLNO-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP COCC(C)(C)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000426394891 271218547 /nfs/dbraw/zinc/21/85/47/271218547.db2.gz KSWNAZUQKHFLNO-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP COCC(C)(C)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000426394891 271218550 /nfs/dbraw/zinc/21/85/50/271218550.db2.gz KSWNAZUQKHFLNO-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP CCc1ccc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428040430 271240535 /nfs/dbraw/zinc/24/05/35/271240535.db2.gz WGUFVZTXVQFUIL-IAGOWNOFSA-N 2 1 258.409 2.475 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC[C@H]2CCCCO2)CC1 ZINC000429528810 271336383 /nfs/dbraw/zinc/33/63/83/271336383.db2.gz NKKZKQHUZWOTGR-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000430577469 271394112 /nfs/dbraw/zinc/39/41/12/271394112.db2.gz NSRRRQGKHZMRIS-CABCVRRESA-N 2 1 285.476 2.326 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000430577469 271394115 /nfs/dbraw/zinc/39/41/15/271394115.db2.gz NSRRRQGKHZMRIS-CABCVRRESA-N 2 1 285.476 2.326 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430583829 271394630 /nfs/dbraw/zinc/39/46/30/271394630.db2.gz NMBCIFMJXTYOIK-ZIAGYGMSSA-N 2 1 283.460 2.083 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430583829 271394633 /nfs/dbraw/zinc/39/46/33/271394633.db2.gz NMBCIFMJXTYOIK-ZIAGYGMSSA-N 2 1 283.460 2.083 20 0 CEADMP C[C@@](C[NH3+])([NH2+]CCCOCCc1ccccc1)C1CC1 ZINC000430594749 271395915 /nfs/dbraw/zinc/39/59/15/271395915.db2.gz VZWUGQPOWNGPLJ-KRWDZBQOSA-N 2 1 276.424 2.353 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NCc1cccs1 ZINC000430594269 271396306 /nfs/dbraw/zinc/39/63/06/271396306.db2.gz QIRYEDIEJMCDRL-OCCSQVGLSA-N 2 1 297.468 2.058 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NCc1cccs1 ZINC000430594269 271396310 /nfs/dbraw/zinc/39/63/10/271396310.db2.gz QIRYEDIEJMCDRL-OCCSQVGLSA-N 2 1 297.468 2.058 20 0 CEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1nc2ccccc2n1C ZINC000430588540 271397049 /nfs/dbraw/zinc/39/70/49/271397049.db2.gz ZUPOVVDNFOVMBC-MRXNPFEDSA-N 2 1 274.412 2.079 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000442922645 271843489 /nfs/dbraw/zinc/84/34/89/271843489.db2.gz PJDXTJYODRYVCY-OAHLLOKOSA-N 2 1 284.407 2.433 20 0 CEADMP CC(C)n1ccnc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443056256 271848862 /nfs/dbraw/zinc/84/88/62/271848862.db2.gz CLXVCLUGXPQELR-CYBMUJFWSA-N 2 1 250.390 2.025 20 0 CEADMP Cc1cc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)n(C)n1 ZINC000417930570 533688658 /nfs/dbraw/zinc/68/86/58/533688658.db2.gz KAYCSAKAYBTBRJ-UHFFFAOYSA-N 2 1 299.422 2.191 20 0 CEADMP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])c2cc(N)ccc2O1 ZINC000332066073 273590010 /nfs/dbraw/zinc/59/00/10/273590010.db2.gz SBMBLJGYOGBLMZ-IHRRRGAJSA-N 2 1 275.396 2.340 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc3OC2)CC[N@@H+]1C ZINC000338010616 274394745 /nfs/dbraw/zinc/39/47/45/274394745.db2.gz ZLQNSNUOGRTMBV-KBMXLJTQSA-N 2 1 274.408 2.453 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc3OC2)CC[N@H+]1C ZINC000338010616 274394746 /nfs/dbraw/zinc/39/47/46/274394746.db2.gz ZLQNSNUOGRTMBV-KBMXLJTQSA-N 2 1 274.408 2.453 20 0 CEADMP C([C@@H]1CCCOC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000342925775 275396853 /nfs/dbraw/zinc/39/68/53/275396853.db2.gz KFGFIEAPNNQNTQ-YQQAZPJKSA-N 2 1 278.440 2.362 20 0 CEADMP C([C@@H]1CCCOC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000342925775 275396854 /nfs/dbraw/zinc/39/68/54/275396854.db2.gz KFGFIEAPNNQNTQ-YQQAZPJKSA-N 2 1 278.440 2.362 20 0 CEADMP C([C@@H]1CCCOC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000342925775 275396855 /nfs/dbraw/zinc/39/68/55/275396855.db2.gz KFGFIEAPNNQNTQ-YQQAZPJKSA-N 2 1 278.440 2.362 20 0 CEADMP C([C@@H]1CCSC1)[N@@H+]1C[C@H]2[C@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000365880973 275397247 /nfs/dbraw/zinc/39/72/47/275397247.db2.gz YTUPLLAXCSOQML-AJNGGQMLSA-N 2 1 266.454 2.156 20 0 CEADMP C([C@@H]1CCSC1)[NH+]1C[C@H]2[C@@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000365880973 275397248 /nfs/dbraw/zinc/39/72/48/275397248.db2.gz YTUPLLAXCSOQML-AJNGGQMLSA-N 2 1 266.454 2.156 20 0 CEADMP C([C@@H]1CCSC1)[NH+]1C[C@H]2[C@@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000365880973 275397249 /nfs/dbraw/zinc/39/72/49/275397249.db2.gz YTUPLLAXCSOQML-AJNGGQMLSA-N 2 1 266.454 2.156 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCCCCC1 ZINC000354319576 276006570 /nfs/dbraw/zinc/00/65/70/276006570.db2.gz PZFZQVQCZCVGPH-MRXNPFEDSA-N 2 1 295.471 2.243 20 0 CEADMP CC1(C)OCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000334283880 276156704 /nfs/dbraw/zinc/15/67/04/276156704.db2.gz ZNNRPLTZQLVATD-JXQTWKCFSA-N 2 1 252.402 2.160 20 0 CEADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)[C@@H]2CCCO[C@H]21 ZINC000366733000 276163558 /nfs/dbraw/zinc/16/35/58/276163558.db2.gz YYCHCNWBKKULCP-WMHQRMGPSA-N 2 1 289.423 2.239 20 0 CEADMP CC1CCC(O)(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000369612601 276192438 /nfs/dbraw/zinc/19/24/38/276192438.db2.gz BRCPRKMOAOHJKI-FQBRJNOBSA-N 2 1 292.467 2.344 20 0 CEADMP CC1CCC(O)(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000369612601 276192440 /nfs/dbraw/zinc/19/24/40/276192440.db2.gz BRCPRKMOAOHJKI-FQBRJNOBSA-N 2 1 292.467 2.344 20 0 CEADMP CC1CCC(O)(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000369612601 276192441 /nfs/dbraw/zinc/19/24/41/276192441.db2.gz BRCPRKMOAOHJKI-FQBRJNOBSA-N 2 1 292.467 2.344 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CC2CCC(=O)CC2)C1 ZINC000347756194 276307887 /nfs/dbraw/zinc/30/78/87/276307887.db2.gz YUUCPLUFRTVRGE-CQSZACIVSA-N 2 1 252.402 2.019 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2CCC(=O)CC2)C1 ZINC000347756194 276307889 /nfs/dbraw/zinc/30/78/89/276307889.db2.gz YUUCPLUFRTVRGE-CQSZACIVSA-N 2 1 252.402 2.019 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2CCC(=O)CC2)C1 ZINC000347756194 276307891 /nfs/dbraw/zinc/30/78/91/276307891.db2.gz YUUCPLUFRTVRGE-CQSZACIVSA-N 2 1 252.402 2.019 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2CCC(=O)CC2)C1 ZINC000347756194 276307893 /nfs/dbraw/zinc/30/78/93/276307893.db2.gz YUUCPLUFRTVRGE-CQSZACIVSA-N 2 1 252.402 2.019 20 0 CEADMP CCO[C@H](C[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000193436088 276358373 /nfs/dbraw/zinc/35/83/73/276358373.db2.gz CHHLNQBLRSQGHS-MRXNPFEDSA-N 2 1 262.397 2.448 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000288526092 276892492 /nfs/dbraw/zinc/89/24/92/276892492.db2.gz JWOAABSWWNVGFA-CQSZACIVSA-N 2 1 283.375 2.413 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000345166815 277023265 /nfs/dbraw/zinc/02/32/65/277023265.db2.gz CHICNLNOJAKCHH-UHFFFAOYSA-N 2 1 262.401 2.059 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000341380814 277023341 /nfs/dbraw/zinc/02/33/41/277023341.db2.gz OZTKGOKIRDCNCO-YESZJQIVSA-N 2 1 278.440 2.433 20 0 CEADMP C[NH+]1CCC(CC[NH2+][C@@H]2C[C@H](N)c3ccccc32)CC1 ZINC000229937349 277026353 /nfs/dbraw/zinc/02/63/53/277026353.db2.gz NPBLZYCKIMACGZ-DLBZAZTESA-N 2 1 273.424 2.453 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000347040714 277031811 /nfs/dbraw/zinc/03/18/11/277031811.db2.gz IBMNVSWPKYTBDZ-CQSZACIVSA-N 2 1 261.413 2.184 20 0 CEADMP CC(=O)NCC[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000347645308 277033590 /nfs/dbraw/zinc/03/35/90/277033590.db2.gz OAVCWZYXFFQQPE-DLBZAZTESA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCC[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000347645308 277033592 /nfs/dbraw/zinc/03/35/92/277033592.db2.gz OAVCWZYXFFQQPE-DLBZAZTESA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCC[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000347645308 277033593 /nfs/dbraw/zinc/03/35/93/277033593.db2.gz OAVCWZYXFFQQPE-DLBZAZTESA-N 2 1 295.471 2.099 20 0 CEADMP CN1CC[N@@H+](CCC2CC[NH2+]CC2)Cc2ccccc21 ZINC000359213131 277104620 /nfs/dbraw/zinc/10/46/20/277104620.db2.gz HLOUVRLQJPGQBZ-UHFFFAOYSA-N 2 1 273.424 2.328 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC3CCCC3)C2)CC1 ZINC000174875303 277110610 /nfs/dbraw/zinc/11/06/10/277110610.db2.gz CALVCCBHIHEGAE-QGZVFWFLSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC3CCCC3)C2)CC1 ZINC000174875303 277110612 /nfs/dbraw/zinc/11/06/12/277110612.db2.gz CALVCCBHIHEGAE-QGZVFWFLSA-N 2 1 279.472 2.279 20 0 CEADMP COC1(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCC1 ZINC000340440157 277183409 /nfs/dbraw/zinc/18/34/09/277183409.db2.gz GWXKCPBZGWFELN-RBSFLKMASA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+]1Cc2ccccc2[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000366699759 277213263 /nfs/dbraw/zinc/21/32/63/277213263.db2.gz VTSYXXVOQAPNEP-SOLBZPMBSA-N 2 1 285.435 2.390 20 0 CEADMP C[N@@H+]1Cc2ccccc2[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000366699759 277213264 /nfs/dbraw/zinc/21/32/64/277213264.db2.gz VTSYXXVOQAPNEP-SOLBZPMBSA-N 2 1 285.435 2.390 20 0 CEADMP C[NH+]1Cc2ccccc2[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000366699759 277213265 /nfs/dbraw/zinc/21/32/65/277213265.db2.gz VTSYXXVOQAPNEP-SOLBZPMBSA-N 2 1 285.435 2.390 20 0 CEADMP C[NH+]1Cc2ccccc2[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000366699759 277213268 /nfs/dbraw/zinc/21/32/68/277213268.db2.gz VTSYXXVOQAPNEP-SOLBZPMBSA-N 2 1 285.435 2.390 20 0 CEADMP CC(C)CCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368928222 277351212 /nfs/dbraw/zinc/35/12/12/277351212.db2.gz CPIJLHIYBUBESI-IAGOWNOFSA-N 2 1 281.488 2.380 20 0 CEADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C12CCC2 ZINC000373554915 277697043 /nfs/dbraw/zinc/69/70/43/277697043.db2.gz NLFQSWBSYXTNTA-OCVGTWLNSA-N 2 1 289.423 2.239 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)CC[NH2+]1 ZINC000414705578 278011344 /nfs/dbraw/zinc/01/13/44/278011344.db2.gz KQCJMRHEJJXSDD-WCVJEAGWSA-N 2 1 266.429 2.123 20 0 CEADMP CC1(C)CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000346552064 278269121 /nfs/dbraw/zinc/26/91/21/278269121.db2.gz IBIOUMLYJKMOHU-CABCVRRESA-N 2 1 268.445 2.392 20 0 CEADMP C[C@@H](C[C@@H]1CCCO1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000156733000 278294433 /nfs/dbraw/zinc/29/44/33/278294433.db2.gz JTTBRGMRGFWDHK-SEBNEYGDSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000336409653 278313367 /nfs/dbraw/zinc/31/33/67/278313367.db2.gz GJRPJZPTVNPWNG-TZMCWYRMSA-N 2 1 285.391 2.500 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCCC1 ZINC000168342605 278340543 /nfs/dbraw/zinc/34/05/43/278340543.db2.gz ODXZKJKSCSIPOK-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)[C@H]1CCC[NH2+]1 ZINC000331988617 278383139 /nfs/dbraw/zinc/38/31/39/278383139.db2.gz UMKPNIITKCSREW-LYRGGWFBSA-N 2 1 259.397 2.376 20 0 CEADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000366232483 279021831 /nfs/dbraw/zinc/02/18/31/279021831.db2.gz GTHVEMABOASAOF-GFOCRRMGSA-N 2 1 286.419 2.373 20 0 CEADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000366232483 279021832 /nfs/dbraw/zinc/02/18/32/279021832.db2.gz GTHVEMABOASAOF-GFOCRRMGSA-N 2 1 286.419 2.373 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CCCCO2)C1 ZINC000347467304 279039732 /nfs/dbraw/zinc/03/97/32/279039732.db2.gz QQVQYBKIBWBHPL-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000347467304 279039734 /nfs/dbraw/zinc/03/97/34/279039734.db2.gz QQVQYBKIBWBHPL-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000347467304 279039736 /nfs/dbraw/zinc/03/97/36/279039736.db2.gz QQVQYBKIBWBHPL-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC[NH+](C)C1CCCC1 ZINC000071376903 288102423 /nfs/dbraw/zinc/10/24/23/288102423.db2.gz DBESVJLBQBXBIV-YCPHGPKFSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NCC[N@H+](C)C1CCCC1 ZINC000071376903 288102425 /nfs/dbraw/zinc/10/24/25/288102425.db2.gz DBESVJLBQBXBIV-YCPHGPKFSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NCC[N@@H+](C)C1CCCC1 ZINC000071376903 288102427 /nfs/dbraw/zinc/10/24/27/288102427.db2.gz DBESVJLBQBXBIV-YCPHGPKFSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000341902327 288107692 /nfs/dbraw/zinc/10/76/92/288107692.db2.gz SWKSBKQLYRXONL-PNBKFKSVSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000341902327 288107694 /nfs/dbraw/zinc/10/76/94/288107694.db2.gz SWKSBKQLYRXONL-PNBKFKSVSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000341902327 288107695 /nfs/dbraw/zinc/10/76/95/288107695.db2.gz SWKSBKQLYRXONL-PNBKFKSVSA-N 2 1 279.472 2.322 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000365650481 279094873 /nfs/dbraw/zinc/09/48/73/279094873.db2.gz RPTZUMWKVQTMDC-HNNXBMFYSA-N 2 1 278.444 2.331 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000365650481 279094876 /nfs/dbraw/zinc/09/48/76/279094876.db2.gz RPTZUMWKVQTMDC-HNNXBMFYSA-N 2 1 278.444 2.331 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000355326779 279160838 /nfs/dbraw/zinc/16/08/38/279160838.db2.gz DINVOYWTXCZCAG-AAVRWANBSA-N 2 1 256.434 2.366 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCOC[C@@H]1C ZINC000248818491 279306061 /nfs/dbraw/zinc/30/60/61/279306061.db2.gz BAFSLKNVUIUYGI-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@@H]2CCCCN2C1=O ZINC000415096749 279367650 /nfs/dbraw/zinc/36/76/50/279367650.db2.gz QNNHHFDJGGZQMN-UGUYLWEFSA-N 2 1 293.455 2.040 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)CCO1 ZINC000070345375 279966025 /nfs/dbraw/zinc/96/60/25/279966025.db2.gz ARPSPKDOZVOPDG-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000134176263 280014498 /nfs/dbraw/zinc/01/44/98/280014498.db2.gz RIOUNBLTAWAJPE-UHFFFAOYSA-N 2 1 264.417 2.354 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000134176263 280014500 /nfs/dbraw/zinc/01/45/00/280014500.db2.gz RIOUNBLTAWAJPE-UHFFFAOYSA-N 2 1 264.417 2.354 20 0 CEADMP CCSCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000365568922 280037534 /nfs/dbraw/zinc/03/75/34/280037534.db2.gz HEGXNZKEGYHISF-MCIONIFRSA-N 2 1 254.443 2.156 20 0 CEADMP CCSCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365568922 280037537 /nfs/dbraw/zinc/03/75/37/280037537.db2.gz HEGXNZKEGYHISF-MCIONIFRSA-N 2 1 254.443 2.156 20 0 CEADMP CCSCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365568922 280037539 /nfs/dbraw/zinc/03/75/39/280037539.db2.gz HEGXNZKEGYHISF-MCIONIFRSA-N 2 1 254.443 2.156 20 0 CEADMP CC[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)[NH+](CC)CC ZINC000344987342 280076586 /nfs/dbraw/zinc/07/65/86/280076586.db2.gz UQIUGXGXWWLZRT-INIZCTEOSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000414702374 280172991 /nfs/dbraw/zinc/17/29/91/280172991.db2.gz BDJZKASGMYADJG-ZACQAIPSSA-N 2 1 274.408 2.156 20 0 CEADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000414702374 280172993 /nfs/dbraw/zinc/17/29/93/280172993.db2.gz BDJZKASGMYADJG-ZACQAIPSSA-N 2 1 274.408 2.156 20 0 CEADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000223082345 280212475 /nfs/dbraw/zinc/21/24/75/280212475.db2.gz FWVQNWFNFFNFGX-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000336833294 280270259 /nfs/dbraw/zinc/27/02/59/280270259.db2.gz YAJADXUUFXWJHO-HNNXBMFYSA-N 2 1 278.444 2.372 20 0 CEADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246067876 280271954 /nfs/dbraw/zinc/27/19/54/280271954.db2.gz SIGYULSJJBNYFW-PBFPGSCMSA-N 2 1 292.471 2.288 20 0 CEADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246534747 280299887 /nfs/dbraw/zinc/29/98/87/280299887.db2.gz VMSFSHXIGPLEET-SUNKGSAMSA-N 2 1 265.401 2.467 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)C(C)(C)C)[C@@H](C)C1 ZINC000247080380 280320033 /nfs/dbraw/zinc/32/00/33/280320033.db2.gz NNNKWCCKZWJBBD-IHRRRGAJSA-N 2 1 256.434 2.367 20 0 CEADMP CCOc1ncccc1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000247140849 280321421 /nfs/dbraw/zinc/32/14/21/280321421.db2.gz SIMBTHCDHCKTRB-VNHYZAJKSA-N 2 1 277.412 2.299 20 0 CEADMP C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247199253 280322658 /nfs/dbraw/zinc/32/26/58/280322658.db2.gz WYJNNHZBKFGCGG-JKJDWNRSSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@@H](CN1CCSC[C@@H]1C)C[N@H+]1CCSC[C@H]1C ZINC000247220141 280323414 /nfs/dbraw/zinc/32/34/14/280323414.db2.gz XPAZTAYTEZRSOG-ZSOGYDGISA-N 2 1 288.526 2.497 20 0 CEADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000247583638 280334742 /nfs/dbraw/zinc/33/47/42/280334742.db2.gz ZBYUCBNJPOBKOO-MELADBBJSA-N 2 1 285.476 2.246 20 0 CEADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(N)=O ZINC000248373602 280345015 /nfs/dbraw/zinc/34/50/15/280345015.db2.gz JYWPTOFVNBDHNC-ZIAGYGMSSA-N 2 1 289.423 2.024 20 0 CEADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000248833589 280367156 /nfs/dbraw/zinc/36/71/56/280367156.db2.gz LUWOPMCBKHJLSG-BURFUSLBSA-N 2 1 290.451 2.217 20 0 CEADMP COC[C@@H](C)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000249185837 280387842 /nfs/dbraw/zinc/38/78/42/280387842.db2.gz KRBDIZDWMLIKMR-HRCADAONSA-N 2 1 298.471 2.090 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422829806 280928630 /nfs/dbraw/zinc/92/86/30/280928630.db2.gz CBBHSGJVKFIHSA-CHWSQXEVSA-N 3 1 253.434 2.109 20 0 CEADMP C(=C/c1ccccc1)\C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000422982670 280981883 /nfs/dbraw/zinc/98/18/83/280981883.db2.gz XLWPWFXRDHPQMW-YQBWCRNHSA-N 2 1 286.419 2.447 20 0 CEADMP C[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)[C@H]1CCC[NH2+]1 ZINC000423009783 280991298 /nfs/dbraw/zinc/99/12/98/280991298.db2.gz DWNRKGNHRIOVJA-SUMWQHHRSA-N 2 1 284.407 2.317 20 0 CEADMP CC[C@H]([NH2+][C@H]1COc2cc(OC)ccc2C1)[C@@H]1CCC[NH2+]1 ZINC000423023719 280996212 /nfs/dbraw/zinc/99/62/12/280996212.db2.gz KHXUBVJWOUYISF-KBMXLJTQSA-N 2 1 290.407 2.119 20 0 CEADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1c[nH+]ccc1N)C2 ZINC000423030801 281001206 /nfs/dbraw/zinc/00/12/06/281001206.db2.gz WIJRAGXCSPTPOF-DGCLKSJQSA-N 2 1 299.374 2.157 20 0 CEADMP C[C@@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000423058972 281013993 /nfs/dbraw/zinc/01/39/93/281013993.db2.gz DOJMHMQPKBKDLB-CRAIPNDOSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000423061692 281016291 /nfs/dbraw/zinc/01/62/91/281016291.db2.gz RFMVLOHVFJTCGJ-YCPHGPKFSA-N 2 1 273.424 2.025 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc(OC)c1OC ZINC000423331834 281024925 /nfs/dbraw/zinc/02/49/25/281024925.db2.gz UXBKALZHAOXYAS-GXFFZTMASA-N 2 1 294.395 2.100 20 0 CEADMP COC[C@]1(C[NH2+][C@H](c2ccccc2)C2CC2)CCC[NH2+]1 ZINC000423415157 281034660 /nfs/dbraw/zinc/03/46/60/281034660.db2.gz OSTHNYHEAISRHT-IAGOWNOFSA-N 2 1 274.408 2.496 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CSCCc2ccccc21 ZINC000423439140 281042966 /nfs/dbraw/zinc/04/29/66/281042966.db2.gz HMKPFQGGGNLCLD-COPLHBTASA-N 2 1 250.411 2.342 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000423440088 281043590 /nfs/dbraw/zinc/04/35/90/281043590.db2.gz ALGXAJUCHGTIBO-CHWSQXEVSA-N 2 1 266.385 2.482 20 0 CEADMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1C[C@@H]1C ZINC000423514918 281059926 /nfs/dbraw/zinc/05/99/26/281059926.db2.gz UNUDIZSFKLQHOC-WMUVLYSMSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000423727484 281084069 /nfs/dbraw/zinc/08/40/69/281084069.db2.gz LEBXWFMKAOZLBE-ZNMIVQPWSA-N 2 1 293.455 2.122 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000423768584 281087011 /nfs/dbraw/zinc/08/70/11/281087011.db2.gz BKVGINUCCRUBGA-GJZGRUSLSA-N 2 1 295.471 2.084 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H]2O)cc1 ZINC000424316075 281149030 /nfs/dbraw/zinc/14/90/30/281149030.db2.gz MREWMLWSJOEMLH-HFBAOOFYSA-N 2 1 271.364 2.355 20 0 CEADMP COC1(C[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CCC1 ZINC000429534514 281240584 /nfs/dbraw/zinc/24/05/84/281240584.db2.gz FGNLHMRJOUUOBF-HZPDHXFCSA-N 2 1 298.471 2.161 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000430925549 281280699 /nfs/dbraw/zinc/28/06/99/281280699.db2.gz DKQOISCXBLOKNF-JTQLQIEISA-N 2 1 299.777 2.088 20 0 CEADMP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(F)c1 ZINC000430937347 281283430 /nfs/dbraw/zinc/28/34/30/281283430.db2.gz BDNRMANMQPVZKA-GFCCVEGCSA-N 2 1 293.386 2.132 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430942630 281284285 /nfs/dbraw/zinc/28/42/85/281284285.db2.gz MMMJPJXSUUPDSV-MRXNPFEDSA-N 2 1 297.402 2.441 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000431572133 281308895 /nfs/dbraw/zinc/30/88/95/281308895.db2.gz SKLGZBYXJRUODQ-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431739654 281316042 /nfs/dbraw/zinc/31/60/42/281316042.db2.gz DLAXQBAVVXDPRY-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1CCCC[NH+]1CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431739654 281316044 /nfs/dbraw/zinc/31/60/44/281316044.db2.gz DLAXQBAVVXDPRY-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1CCCC[NH+]1CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431739654 281316046 /nfs/dbraw/zinc/31/60/46/281316046.db2.gz DLAXQBAVVXDPRY-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)OC1CC([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000433023744 281360717 /nfs/dbraw/zinc/36/07/17/281360717.db2.gz SXONOMXSWBOCGZ-QQFBHYJXSA-N 2 1 284.444 2.033 20 0 CEADMP CC(C)OC1CC([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000433023744 281360719 /nfs/dbraw/zinc/36/07/19/281360719.db2.gz SXONOMXSWBOCGZ-QQFBHYJXSA-N 2 1 284.444 2.033 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435383353 281387068 /nfs/dbraw/zinc/38/70/68/281387068.db2.gz HOOAELONZNRJQU-MRXNPFEDSA-N 2 1 290.407 2.437 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000236701681 282072852 /nfs/dbraw/zinc/07/28/52/282072852.db2.gz PJYLXDLEGMZGDC-QLFBSQMISA-N 2 1 297.487 2.234 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C)C2CCCC2)CC1 ZINC000154880077 289157190 /nfs/dbraw/zinc/15/71/90/289157190.db2.gz CLUPYYMBIQEQJR-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN2CCCCCC2=O)[C@H](C)C1 ZINC000155500429 289175932 /nfs/dbraw/zinc/17/59/32/289175932.db2.gz IQKDGGBHADVMRA-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000314478253 289283663 /nfs/dbraw/zinc/28/36/63/289283663.db2.gz BUSDHWJEEDIXEC-GVDBMIGSSA-N 2 1 291.439 2.368 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000314478253 289283665 /nfs/dbraw/zinc/28/36/65/289283665.db2.gz BUSDHWJEEDIXEC-GVDBMIGSSA-N 2 1 291.439 2.368 20 0 CEADMP CC(C)CO[C@@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)C1(C)C ZINC000401846055 289289094 /nfs/dbraw/zinc/28/90/94/289289094.db2.gz QLLKMGMQQKNAGP-LSDHHAIUSA-N 2 1 279.428 2.392 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc2c(c1)OCO2 ZINC000332657331 290005860 /nfs/dbraw/zinc/00/58/60/290005860.db2.gz OWJKYLZUVCUVCW-CYZMBNFOSA-N 2 1 262.353 2.336 20 0 CEADMP C[N@@H+](CCOCC1CCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000459344473 290122503 /nfs/dbraw/zinc/12/25/03/290122503.db2.gz RMISZSNWXWFEGI-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP C[NH+](CCOCC1CCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000459344473 290122507 /nfs/dbraw/zinc/12/25/07/290122507.db2.gz RMISZSNWXWFEGI-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP C[NH+](CCOCC1CCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000459344473 290122509 /nfs/dbraw/zinc/12/25/09/290122509.db2.gz RMISZSNWXWFEGI-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CCc1nc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cs1 ZINC000459394740 290135977 /nfs/dbraw/zinc/13/59/77/290135977.db2.gz HHXFLVIMNYKQHP-UHFFFAOYSA-N 2 1 279.453 2.464 20 0 CEADMP C[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCO[C@H]1C1CC1 ZINC000459527795 290170866 /nfs/dbraw/zinc/17/08/66/290170866.db2.gz LBDOPPOVZDTUPB-IRXDYDNUSA-N 2 1 278.440 2.408 20 0 CEADMP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459562741 290180460 /nfs/dbraw/zinc/18/04/60/290180460.db2.gz PCPAIAZUXLCXEH-HUUCEWRRSA-N 2 1 252.402 2.160 20 0 CEADMP COCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC1 ZINC000459566044 290181040 /nfs/dbraw/zinc/18/10/40/290181040.db2.gz VKZYQPOKWIMKOM-UHFFFAOYSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000353527423 290217126 /nfs/dbraw/zinc/21/71/26/290217126.db2.gz DDBBWOBASCLUFO-GARJFASQSA-N 2 1 250.308 2.401 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOC(F)F)[C@@H]2CCC[C@H]21 ZINC000367620113 290217359 /nfs/dbraw/zinc/21/73/59/290217359.db2.gz XRCJBWIVTQFWER-SDDRHHMPSA-N 2 1 262.344 2.078 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000459722490 290217397 /nfs/dbraw/zinc/21/73/97/290217397.db2.gz BLXVGVLENZUDJS-AWEZNQCLSA-N 2 1 290.407 2.279 20 0 CEADMP CC(C)n1nccc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459732435 290220568 /nfs/dbraw/zinc/22/05/68/290220568.db2.gz FYCLDGNRCMSFAN-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP Cc1cccc2ncc(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)n21 ZINC000459734998 290221490 /nfs/dbraw/zinc/22/14/90/290221490.db2.gz PGWRTSMWXBEQFF-OAHLLOKOSA-N 2 1 286.423 2.464 20 0 CEADMP COCC[N@H+]1CC[C@@H](Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000459744823 290224670 /nfs/dbraw/zinc/22/46/70/290224670.db2.gz DTIMMBWIUHDNPR-QGZVFWFLSA-N 2 1 291.439 2.189 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccn(C)n1 ZINC000459745396 290225389 /nfs/dbraw/zinc/22/53/89/290225389.db2.gz INCFPLVYDJIZCI-ZDUSSCGKSA-N 2 1 272.396 2.333 20 0 CEADMP CCCC[N@@H+](C)CCNc1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000462848451 290260204 /nfs/dbraw/zinc/26/02/04/290260204.db2.gz RAPQBCYQEDTBFT-UHFFFAOYSA-N 2 1 293.459 2.232 20 0 CEADMP C(=C\c1ccncc1)\C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000486949319 290322918 /nfs/dbraw/zinc/32/29/18/290322918.db2.gz ZTOBQNIGSJWVSF-GCMXGRHNSA-N 2 1 257.381 2.311 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1CCSC1 ZINC000486966283 290324513 /nfs/dbraw/zinc/32/45/13/290324513.db2.gz FUJGSHDPNXDYFN-RDBSUJKOSA-N 2 1 256.459 2.450 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1CCSC1 ZINC000486966283 290324517 /nfs/dbraw/zinc/32/45/17/290324517.db2.gz FUJGSHDPNXDYFN-RDBSUJKOSA-N 2 1 256.459 2.450 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C/C=C\c2ccncc2)CCCO1 ZINC000487173639 290334832 /nfs/dbraw/zinc/33/48/32/290334832.db2.gz OQMXGRIHBBTXBR-ASKPUQFJSA-N 2 1 289.423 2.185 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000487276372 290339180 /nfs/dbraw/zinc/33/91/80/290339180.db2.gz QCVLUNOFBQFQDH-UONOGXRCSA-N 2 1 256.459 2.450 20 0 CEADMP COCC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCC[C@H]1C ZINC000487949521 290369089 /nfs/dbraw/zinc/36/90/89/290369089.db2.gz FTHQYVNTIJSKLM-UKRRQHHQSA-N 2 1 265.401 2.329 20 0 CEADMP COCC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCC[C@H]1C ZINC000487949521 290369091 /nfs/dbraw/zinc/36/90/91/290369091.db2.gz FTHQYVNTIJSKLM-UKRRQHHQSA-N 2 1 265.401 2.329 20 0 CEADMP CC(C)[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000488197487 290382992 /nfs/dbraw/zinc/38/29/92/290382992.db2.gz HBLQEPLKFBUNQN-HOTGVXAUSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[C@@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000488197487 290382995 /nfs/dbraw/zinc/38/29/95/290382995.db2.gz HBLQEPLKFBUNQN-HOTGVXAUSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[C@@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000488197487 290382998 /nfs/dbraw/zinc/38/29/98/290382998.db2.gz HBLQEPLKFBUNQN-HOTGVXAUSA-N 2 1 267.461 2.133 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000411967869 294108107 /nfs/dbraw/zinc/10/81/07/294108107.db2.gz IWBBKXVGXJQCRO-CFVMTHIKSA-N 2 1 254.418 2.264 20 0 CEADMP COc1cc(C)[nH+]c(CN(CC[NH+](C)C)CC(C)C)c1 ZINC000348938756 294971828 /nfs/dbraw/zinc/97/18/28/294971828.db2.gz ZWAIQXSFYZFMEP-UHFFFAOYSA-N 2 1 279.428 2.418 20 0 CEADMP C[C@H]1CCCC[C@@H]1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000518396406 297629563 /nfs/dbraw/zinc/62/95/63/297629563.db2.gz DMQLCAAZSIOYCC-LSDHHAIUSA-N 2 1 268.445 2.249 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC[C@@H]2CC=CCC2)CC1 ZINC000527987229 297772571 /nfs/dbraw/zinc/77/25/71/297772571.db2.gz RXQNFUCLYVIXDA-OAHLLOKOSA-N 2 1 266.429 2.433 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000530212458 298051259 /nfs/dbraw/zinc/05/12/59/298051259.db2.gz SEBJCBMXTOGAQS-WBVHZDCISA-N 2 1 294.414 2.315 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C[C@@H]1OC ZINC000530216216 298052826 /nfs/dbraw/zinc/05/28/26/298052826.db2.gz OBAFONPPJJEYBR-MJBXVCDLSA-N 2 1 266.429 2.454 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000530220618 298054956 /nfs/dbraw/zinc/05/49/56/298054956.db2.gz BFIXGQMKPMRYJL-UHOFOFEASA-N 2 1 280.387 2.195 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000532446154 298144518 /nfs/dbraw/zinc/14/45/18/298144518.db2.gz ZIPWTPYJADFTEW-ARFHVFGLSA-N 2 1 266.429 2.408 20 0 CEADMP CCc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000533560285 298167182 /nfs/dbraw/zinc/16/71/82/298167182.db2.gz BLHMTUUNBPZTFY-AWEZNQCLSA-N 2 1 299.418 2.352 20 0 CEADMP CCc1cc(NCC[N@H+]2CCO[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000533560285 298167184 /nfs/dbraw/zinc/16/71/84/298167184.db2.gz BLHMTUUNBPZTFY-AWEZNQCLSA-N 2 1 299.418 2.352 20 0 CEADMP CN(CCC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000539416577 298247506 /nfs/dbraw/zinc/24/75/06/298247506.db2.gz TXXBIQSFTJLGOP-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)C1CC1 ZINC000566556882 299002092 /nfs/dbraw/zinc/00/20/92/299002092.db2.gz UEBGWILBLHMVEW-QRTARXTBSA-N 2 1 292.398 2.116 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)C1CC1 ZINC000566556882 299002094 /nfs/dbraw/zinc/00/20/94/299002094.db2.gz UEBGWILBLHMVEW-QRTARXTBSA-N 2 1 292.398 2.116 20 0 CEADMP COc1ccc(C[N@H+](C)CCC[NH3+])c(OC(F)F)c1 ZINC000567235042 299044393 /nfs/dbraw/zinc/04/43/93/299044393.db2.gz YERQCEGQTDJSMW-UHFFFAOYSA-N 2 1 274.311 2.077 20 0 CEADMP COc1ccc(C[N@@H+](C)CCC[NH3+])c(OC(F)F)c1 ZINC000567235042 299044397 /nfs/dbraw/zinc/04/43/97/299044397.db2.gz YERQCEGQTDJSMW-UHFFFAOYSA-N 2 1 274.311 2.077 20 0 CEADMP CCC[N@@H+](CC)CCNC1CC[NH+](C(C)C)CC1 ZINC000156820153 527977512 /nfs/dbraw/zinc/97/75/12/527977512.db2.gz ZHAOBYXPNYBIQI-UHFFFAOYSA-N 2 1 255.450 2.181 20 0 CEADMP Cc1cnn(C)c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367356171 302391701 /nfs/dbraw/zinc/39/17/01/302391701.db2.gz KGYREPDMMAMGMS-UHFFFAOYSA-N 2 1 276.428 2.036 20 0 CEADMP N[C@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000332367910 303429259 /nfs/dbraw/zinc/42/92/59/303429259.db2.gz VGFMLFCGOSJVJT-AJNGGQMLSA-N 2 1 253.434 2.001 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000516412033 313088154 /nfs/dbraw/zinc/08/81/54/313088154.db2.gz ULYROWIIIBCQNS-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)ccn1 ZINC000527539361 313183283 /nfs/dbraw/zinc/18/32/83/313183283.db2.gz NEJPYYXDDQWCGK-MRXNPFEDSA-N 2 1 269.348 2.438 20 0 CEADMP Cc1cc(CN2CC[C@@H](Oc3ccncc3)C2)ccn1 ZINC000527539361 313183288 /nfs/dbraw/zinc/18/32/88/313183288.db2.gz NEJPYYXDDQWCGK-MRXNPFEDSA-N 2 1 269.348 2.438 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CC12CC2 ZINC000527899696 313213995 /nfs/dbraw/zinc/21/39/95/313213995.db2.gz WKRBJSXHEOWCDW-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CC12CC2 ZINC000527899696 313213997 /nfs/dbraw/zinc/21/39/97/313213997.db2.gz WKRBJSXHEOWCDW-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000530227231 313285959 /nfs/dbraw/zinc/28/59/59/313285959.db2.gz WHRRHYGEWHVWLT-UKPHBRMFSA-N 2 1 294.414 2.300 20 0 CEADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000531936095 313333469 /nfs/dbraw/zinc/33/34/69/313333469.db2.gz BDZGEXDJBOGCIS-XJKSGUPXSA-N 2 1 289.423 2.465 20 0 CEADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000531936095 313333472 /nfs/dbraw/zinc/33/34/72/313333472.db2.gz BDZGEXDJBOGCIS-XJKSGUPXSA-N 2 1 289.423 2.465 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000564721744 313773860 /nfs/dbraw/zinc/77/38/60/313773860.db2.gz DJIBRIFXNGSGNC-IBGZPJMESA-N 2 1 298.430 2.427 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)C1CCCCC1 ZINC000569700104 314010925 /nfs/dbraw/zinc/01/09/25/314010925.db2.gz GGBRNNBZBZGHEZ-ILXRZTDVSA-N 2 1 254.418 2.035 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NC4C[NH2+]C4)[C@H]3C2)cc1 ZINC000570035734 314023962 /nfs/dbraw/zinc/02/39/62/314023962.db2.gz OTGZGYCGFNBCAX-WDSOQIARSA-N 2 1 299.462 2.239 20 0 CEADMP Cn1ccnc1[C@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000570461182 314042264 /nfs/dbraw/zinc/04/22/64/314042264.db2.gz NFPGYRWUGSGXKK-STQMWFEESA-N 2 1 263.385 2.167 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCCC(F)(F)C1)C1CC1 ZINC000571198896 314078056 /nfs/dbraw/zinc/07/80/56/314078056.db2.gz DYPKKVNHRKGKOA-TZMCWYRMSA-N 2 1 290.398 2.247 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCCC(F)(F)C1)C1CC1 ZINC000571198896 314078058 /nfs/dbraw/zinc/07/80/58/314078058.db2.gz DYPKKVNHRKGKOA-TZMCWYRMSA-N 2 1 290.398 2.247 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000572234325 314125359 /nfs/dbraw/zinc/12/53/59/314125359.db2.gz SIICSPPTZOXKKZ-NWDGAFQWSA-N 2 1 266.360 2.312 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000576647157 314297980 /nfs/dbraw/zinc/29/79/80/314297980.db2.gz BCVINDHYYHKCSU-WCXIOVBPSA-N 2 1 273.424 2.291 20 0 CEADMP CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000576647157 314297981 /nfs/dbraw/zinc/29/79/81/314297981.db2.gz BCVINDHYYHKCSU-WCXIOVBPSA-N 2 1 273.424 2.291 20 0 CEADMP [NH3+]Cc1ccc(-c2noc([C@@H]3CCn4cc[nH+]c4C3)n2)cc1 ZINC000580193627 321921279 /nfs/dbraw/zinc/92/12/79/321921279.db2.gz LQAZBIYVXQHSNG-CYBMUJFWSA-N 2 1 295.346 2.122 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC000580401514 322314960 /nfs/dbraw/zinc/31/49/60/322314960.db2.gz HTKLZHNEZBFLGN-QKPAOTATSA-N 2 1 284.444 2.033 20 0 CEADMP CC(C)CO[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000580960316 322358072 /nfs/dbraw/zinc/35/80/72/322358072.db2.gz KAUJNZWUTVLMQP-OAHLLOKOSA-N 2 1 265.401 2.100 20 0 CEADMP CC(C)CO[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000580960316 322358075 /nfs/dbraw/zinc/35/80/75/322358075.db2.gz KAUJNZWUTVLMQP-OAHLLOKOSA-N 2 1 265.401 2.100 20 0 CEADMP CCN(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000581456672 322397589 /nfs/dbraw/zinc/39/75/89/322397589.db2.gz PISYGDBBNDQSRW-ZBFHGGJFSA-N 2 1 290.455 2.310 20 0 CEADMP CCN(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000581456672 322397591 /nfs/dbraw/zinc/39/75/91/322397591.db2.gz PISYGDBBNDQSRW-ZBFHGGJFSA-N 2 1 290.455 2.310 20 0 CEADMP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000581456672 322397593 /nfs/dbraw/zinc/39/75/93/322397593.db2.gz PISYGDBBNDQSRW-ZBFHGGJFSA-N 2 1 290.455 2.310 20 0 CEADMP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000581456672 322397595 /nfs/dbraw/zinc/39/75/95/322397595.db2.gz PISYGDBBNDQSRW-ZBFHGGJFSA-N 2 1 290.455 2.310 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000157327727 521976116 /nfs/dbraw/zinc/97/61/16/521976116.db2.gz TVBLMYPAFWINTF-UHFFFAOYSA-N 2 1 298.228 2.276 20 0 CEADMP C[C@H]([NH2+]CCc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]1 ZINC000400428433 533867925 /nfs/dbraw/zinc/86/79/25/533867925.db2.gz ZXSQMQLVKHVWRL-IINYFYTJSA-N 2 1 254.324 2.237 20 0 CEADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CC[NH2+]C1 ZINC000415066705 534248437 /nfs/dbraw/zinc/24/84/37/534248437.db2.gz AMYGBFFWRDOBSI-JQWIXIFHSA-N 2 1 283.213 2.332 20 0 CEADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370578427 519764612 /nfs/dbraw/zinc/76/46/12/519764612.db2.gz XXDADWNUXPATGV-GVDBMIGSSA-N 2 1 298.471 2.281 20 0 CEADMP Cn1cc(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)cn1 ZINC000374311352 523100475 /nfs/dbraw/zinc/10/04/75/523100475.db2.gz OULHAYSVFPBKIB-OAHLLOKOSA-N 2 1 288.439 2.116 20 0 CEADMP COc1ccc(C)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163824400 523809892 /nfs/dbraw/zinc/80/98/92/523809892.db2.gz REOKVSRRUOMHND-DZGCQCFKSA-N 2 1 262.397 2.420 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2ccncn2)C1 ZINC000363458759 523849031 /nfs/dbraw/zinc/84/90/31/523849031.db2.gz AXSDIOUSCWFKBL-GJZGRUSLSA-N 2 1 274.412 2.140 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2ccncn2)C1 ZINC000363458759 523849040 /nfs/dbraw/zinc/84/90/40/523849040.db2.gz AXSDIOUSCWFKBL-GJZGRUSLSA-N 2 1 274.412 2.140 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000363458759 523849042 /nfs/dbraw/zinc/84/90/42/523849042.db2.gz AXSDIOUSCWFKBL-GJZGRUSLSA-N 2 1 274.412 2.140 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000363458759 523849043 /nfs/dbraw/zinc/84/90/43/523849043.db2.gz AXSDIOUSCWFKBL-GJZGRUSLSA-N 2 1 274.412 2.140 20 0 CEADMP Cc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000374234137 524461560 /nfs/dbraw/zinc/46/15/60/524461560.db2.gz IABLBPXSVMXVAK-GOSISDBHSA-N 2 1 287.451 2.207 20 0 CEADMP Cc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000374234137 524461570 /nfs/dbraw/zinc/46/15/70/524461570.db2.gz IABLBPXSVMXVAK-GOSISDBHSA-N 2 1 287.451 2.207 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000368974466 527683224 /nfs/dbraw/zinc/68/32/24/527683224.db2.gz PKUMBULFKVPLDL-TVFCKZIOSA-N 2 1 292.467 2.344 20 0 CEADMP O[C@H](CC1CCCC1)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000368974466 527683226 /nfs/dbraw/zinc/68/32/26/527683226.db2.gz PKUMBULFKVPLDL-TVFCKZIOSA-N 2 1 292.467 2.344 20 0 CEADMP O[C@H](CC1CCCC1)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000368974466 527683228 /nfs/dbraw/zinc/68/32/28/527683228.db2.gz PKUMBULFKVPLDL-TVFCKZIOSA-N 2 1 292.467 2.344 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000178838506 527813996 /nfs/dbraw/zinc/81/39/96/527813996.db2.gz CSYQMBQXIYLBPW-XHSDSOJGSA-N 2 1 295.471 2.084 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OC(F)(F)O3)C1 ZINC000414315710 527815289 /nfs/dbraw/zinc/81/52/89/527815289.db2.gz SKGAXJWFJTUDPO-LLVKDONJSA-N 2 1 298.333 2.440 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OC(F)(F)O3)C1 ZINC000414315710 527815291 /nfs/dbraw/zinc/81/52/91/527815291.db2.gz SKGAXJWFJTUDPO-LLVKDONJSA-N 2 1 298.333 2.440 20 0 CEADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(C)n(C)n2)c1 ZINC000414338042 527846223 /nfs/dbraw/zinc/84/62/23/527846223.db2.gz YATCBXYWUROMFR-UHFFFAOYSA-N 2 1 286.423 2.470 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C)n(C)n2)c1 ZINC000414338042 527846227 /nfs/dbraw/zinc/84/62/27/527846227.db2.gz YATCBXYWUROMFR-UHFFFAOYSA-N 2 1 286.423 2.470 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@@H](NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000357845339 527933130 /nfs/dbraw/zinc/93/31/30/527933130.db2.gz HLLAXDCWOLWRTI-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP CCN1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000357845339 527933135 /nfs/dbraw/zinc/93/31/35/527933135.db2.gz HLLAXDCWOLWRTI-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357419365 528054280 /nfs/dbraw/zinc/05/42/80/528054280.db2.gz RBUOGQAMOFAVNY-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+]1CCC([N@H+](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000177514879 528194060 /nfs/dbraw/zinc/19/40/60/528194060.db2.gz QKCCZULVKZNHIU-UHFFFAOYSA-N 2 1 299.459 2.317 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000177514879 528194064 /nfs/dbraw/zinc/19/40/64/528194064.db2.gz QKCCZULVKZNHIU-UHFFFAOYSA-N 2 1 299.459 2.317 20 0 CEADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)OC)CC1)CC1CC1 ZINC000357091887 528431131 /nfs/dbraw/zinc/43/11/31/528431131.db2.gz XGSWAAMUCBLMJN-AWEZNQCLSA-N 2 1 296.455 2.382 20 0 CEADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)OC)CC1)CC1CC1 ZINC000357091887 528431133 /nfs/dbraw/zinc/43/11/33/528431133.db2.gz XGSWAAMUCBLMJN-AWEZNQCLSA-N 2 1 296.455 2.382 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000357560676 528563418 /nfs/dbraw/zinc/56/34/18/528563418.db2.gz FLQNLTXLCJRRAQ-AWEZNQCLSA-N 2 1 295.471 2.240 20 0 CEADMP CCOC[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](COCC)C2)C1 ZINC000176345647 528939748 /nfs/dbraw/zinc/93/97/48/528939748.db2.gz QLHUGTFDLXXQOI-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP CCOC[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](COCC)C2)C1 ZINC000176345647 528939754 /nfs/dbraw/zinc/93/97/54/528939754.db2.gz QLHUGTFDLXXQOI-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP CCOC[C@@H]1CC[N@H+](CCC[NH+]2CC[C@H](COCC)C2)C1 ZINC000176345647 528939755 /nfs/dbraw/zinc/93/97/55/528939755.db2.gz QLHUGTFDLXXQOI-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC([NH3+])(CC)CC ZINC000417710842 529272557 /nfs/dbraw/zinc/27/25/57/529272557.db2.gz XXQMSEFGYHNCLU-CQSZACIVSA-N 2 1 298.475 2.068 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729545576 574489340 /nfs/dbraw/zinc/48/93/40/574489340.db2.gz WCTLMVQJBHCTRO-SQWLQELKSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729545576 574489341 /nfs/dbraw/zinc/48/93/41/574489341.db2.gz WCTLMVQJBHCTRO-SQWLQELKSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000741811244 574706672 /nfs/dbraw/zinc/70/66/72/574706672.db2.gz MXKYZYCKVBHQOT-QZTJIDSGSA-N 2 1 290.451 2.396 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000741811244 574706674 /nfs/dbraw/zinc/70/66/74/574706674.db2.gz MXKYZYCKVBHQOT-QZTJIDSGSA-N 2 1 290.451 2.396 20 0 CEADMP Cc1ccccc1[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000741796034 574998915 /nfs/dbraw/zinc/99/89/15/574998915.db2.gz QWJBLKLSFZAEQN-FUHWJXTLSA-N 2 1 288.435 2.446 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH+]1CCC[C@@H]1C ZINC000744427162 575120930 /nfs/dbraw/zinc/12/09/30/575120930.db2.gz SVBVIPXBVPNNCE-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000744427162 575120931 /nfs/dbraw/zinc/12/09/31/575120931.db2.gz SVBVIPXBVPNNCE-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000744427162 575120932 /nfs/dbraw/zinc/12/09/32/575120932.db2.gz SVBVIPXBVPNNCE-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CC(C)[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000749071397 575204640 /nfs/dbraw/zinc/20/46/40/575204640.db2.gz XKMWRMHHVNNUJL-INIZCTEOSA-N 2 1 268.445 2.486 20 0 CEADMP CC(C)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000749071397 575204642 /nfs/dbraw/zinc/20/46/42/575204642.db2.gz XKMWRMHHVNNUJL-INIZCTEOSA-N 2 1 268.445 2.486 20 0 CEADMP CC(C)([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000749261380 575211275 /nfs/dbraw/zinc/21/12/75/575211275.db2.gz GGGXWUPOXMKNTO-HNNXBMFYSA-N 2 1 280.387 2.107 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCCO)C[C@H]1C ZINC000750186067 575253939 /nfs/dbraw/zinc/25/39/39/575253939.db2.gz YDCXKFOOXCOFHN-CABCVRRESA-N 2 1 256.434 2.344 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCCO)C[C@H]1C ZINC000750186067 575253941 /nfs/dbraw/zinc/25/39/41/575253941.db2.gz YDCXKFOOXCOFHN-CABCVRRESA-N 2 1 256.434 2.344 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCCO)C[C@H]1C ZINC000750186067 575253943 /nfs/dbraw/zinc/25/39/43/575253943.db2.gz YDCXKFOOXCOFHN-CABCVRRESA-N 2 1 256.434 2.344 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C(C)C)CC1 ZINC000981525403 614093430 /nfs/dbraw/zinc/09/34/30/614093430.db2.gz NCVQPKAZTOXVEC-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000981525403 614093432 /nfs/dbraw/zinc/09/34/32/614093432.db2.gz NCVQPKAZTOXVEC-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000981525403 614093434 /nfs/dbraw/zinc/09/34/34/614093434.db2.gz NCVQPKAZTOXVEC-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000972484520 614281688 /nfs/dbraw/zinc/28/16/88/614281688.db2.gz CTMZUGFACHFQCQ-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000972484520 614281691 /nfs/dbraw/zinc/28/16/91/614281691.db2.gz CTMZUGFACHFQCQ-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972484520 614281693 /nfs/dbraw/zinc/28/16/93/614281693.db2.gz CTMZUGFACHFQCQ-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000972484518 614332273 /nfs/dbraw/zinc/33/22/73/614332273.db2.gz CTMZUGFACHFQCQ-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000972484518 614332274 /nfs/dbraw/zinc/33/22/74/614332274.db2.gz CTMZUGFACHFQCQ-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972484518 614332276 /nfs/dbraw/zinc/33/22/76/614332276.db2.gz CTMZUGFACHFQCQ-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033806 614374155 /nfs/dbraw/zinc/37/41/55/614374155.db2.gz VPTZEKALRREFAG-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033806 614374157 /nfs/dbraw/zinc/37/41/57/614374157.db2.gz VPTZEKALRREFAG-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033806 614374159 /nfs/dbraw/zinc/37/41/59/614374159.db2.gz VPTZEKALRREFAG-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CC)C1 ZINC000960818036 614647847 /nfs/dbraw/zinc/64/78/47/614647847.db2.gz MNARHJOVOGHCDI-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[N@H+](C)CC)C1 ZINC000960818036 614647850 /nfs/dbraw/zinc/64/78/50/614647850.db2.gz MNARHJOVOGHCDI-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CC)C1 ZINC000960818036 614647853 /nfs/dbraw/zinc/64/78/53/614647853.db2.gz MNARHJOVOGHCDI-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC)CC1 ZINC000948424452 614676789 /nfs/dbraw/zinc/67/67/89/614676789.db2.gz IRNZSLXGNPHVLT-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC)CC1 ZINC000948424452 614676792 /nfs/dbraw/zinc/67/67/92/614676792.db2.gz IRNZSLXGNPHVLT-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC)CC1 ZINC000948424452 614676796 /nfs/dbraw/zinc/67/67/96/614676796.db2.gz IRNZSLXGNPHVLT-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](C)CC)CC1 ZINC000948634059 614677521 /nfs/dbraw/zinc/67/75/21/614677521.db2.gz LSYKLZIELQUGFW-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000950063058 614962957 /nfs/dbraw/zinc/96/29/57/614962957.db2.gz CQIBSNUUORAOJF-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000950063058 614962959 /nfs/dbraw/zinc/96/29/59/614962959.db2.gz CQIBSNUUORAOJF-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000981282590 614985176 /nfs/dbraw/zinc/98/51/76/614985176.db2.gz DVAINALSKGZNLS-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000981282590 614985179 /nfs/dbraw/zinc/98/51/79/614985179.db2.gz DVAINALSKGZNLS-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000981282590 614985181 /nfs/dbraw/zinc/98/51/81/614985181.db2.gz DVAINALSKGZNLS-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](C(C)C)CC1(C)C ZINC000977656296 615114621 /nfs/dbraw/zinc/11/46/21/615114621.db2.gz PJLXWQFEZIKNMH-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)CC1(C)C ZINC000977656296 615114622 /nfs/dbraw/zinc/11/46/22/615114622.db2.gz PJLXWQFEZIKNMH-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)CC1(C)C ZINC000977656296 615114624 /nfs/dbraw/zinc/11/46/24/615114624.db2.gz PJLXWQFEZIKNMH-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H](C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000950628324 615649035 /nfs/dbraw/zinc/64/90/35/615649035.db2.gz UNTGQBIANKQIFK-HOCLYGCPSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCN(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309723736 625294475 /nfs/dbraw/zinc/29/44/75/625294475.db2.gz OUQNWXCDRARZNQ-CGTJXYLNSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H](N[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000309723736 625294486 /nfs/dbraw/zinc/29/44/86/625294486.db2.gz OUQNWXCDRARZNQ-CGTJXYLNSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000309723736 625294495 /nfs/dbraw/zinc/29/44/95/625294495.db2.gz OUQNWXCDRARZNQ-CGTJXYLNSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H](N[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309723736 625294503 /nfs/dbraw/zinc/29/45/03/625294503.db2.gz OUQNWXCDRARZNQ-CGTJXYLNSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H](N[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309723736 625294514 /nfs/dbraw/zinc/29/45/14/625294514.db2.gz OUQNWXCDRARZNQ-CGTJXYLNSA-N 2 1 287.451 2.191 20 0 CEADMP Cc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)cnc1F ZINC000892447155 625478473 /nfs/dbraw/zinc/47/84/73/625478473.db2.gz OQOSNSAORKUBSV-UHFFFAOYSA-N 2 1 253.365 2.207 20 0 CEADMP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001024365781 625533980 /nfs/dbraw/zinc/53/39/80/625533980.db2.gz HRMPKIRFTLNEFS-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001024365781 625533987 /nfs/dbraw/zinc/53/39/87/625533987.db2.gz HRMPKIRFTLNEFS-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001020502108 622660885 /nfs/dbraw/zinc/66/08/85/622660885.db2.gz CKTPRLHPDKRHFA-DZKIICNBSA-N 2 1 293.455 2.040 20 0 CEADMP CCC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310560389 625597838 /nfs/dbraw/zinc/59/78/38/625597838.db2.gz JPLVZVFOWDTELW-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP CCC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310560389 625597848 /nfs/dbraw/zinc/59/78/48/625597848.db2.gz JPLVZVFOWDTELW-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP CC/C=C(/C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000725717029 623474524 /nfs/dbraw/zinc/47/45/24/623474524.db2.gz DMCZWPOBXGBZRA-TYWAAFNRSA-N 2 1 295.471 2.217 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308379331 623677355 /nfs/dbraw/zinc/67/73/55/623677355.db2.gz VIADLRKMJPOWOE-IHRRRGAJSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CCCCCC[NH3+] ZINC000891538912 623770783 /nfs/dbraw/zinc/77/07/83/623770783.db2.gz WQDPDNJHVRDPDM-OAHLLOKOSA-N 2 1 298.475 2.021 20 0 CEADMP CO[C@@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933732562 623981823 /nfs/dbraw/zinc/98/18/23/623981823.db2.gz SIPAFBCQTFEYIY-YESZJQIVSA-N 2 1 274.408 2.258 20 0 CEADMP CO[C@@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933732562 623981826 /nfs/dbraw/zinc/98/18/26/623981826.db2.gz SIPAFBCQTFEYIY-YESZJQIVSA-N 2 1 274.408 2.258 20 0 CEADMP CO[C@@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933732562 623981828 /nfs/dbraw/zinc/98/18/28/623981828.db2.gz SIPAFBCQTFEYIY-YESZJQIVSA-N 2 1 274.408 2.258 20 0 CEADMP CO[C@@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933732562 623981831 /nfs/dbraw/zinc/98/18/31/623981831.db2.gz SIPAFBCQTFEYIY-YESZJQIVSA-N 2 1 274.408 2.258 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H](N3CCCC3)C2)CC1 ZINC000891872423 624049289 /nfs/dbraw/zinc/04/92/89/624049289.db2.gz QFVFZEUYTMRFNM-KRWDZBQOSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC(CN2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000891872423 624049294 /nfs/dbraw/zinc/04/92/94/624049294.db2.gz QFVFZEUYTMRFNM-KRWDZBQOSA-N 2 1 279.472 2.279 20 0 CEADMP COC(=O)C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC000934030223 624174423 /nfs/dbraw/zinc/17/44/23/624174423.db2.gz BSTXPGJQIJLZBU-CHWSQXEVSA-N 2 1 270.417 2.038 20 0 CEADMP CN(C)c1cc(NCC[N@@H+](C)Cc2ccccc2)ncn1 ZINC000891964590 624198307 /nfs/dbraw/zinc/19/83/07/624198307.db2.gz UEWRTWXGVVAKMO-UHFFFAOYSA-N 2 1 285.395 2.087 20 0 CEADMP CCn1cc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)n1 ZINC000892142875 624349634 /nfs/dbraw/zinc/34/96/34/624349634.db2.gz GGBHJCRGXOGVPP-INIZCTEOSA-N 2 1 290.455 2.375 20 0 CEADMP C[NH+]1CCC(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000892237434 624443971 /nfs/dbraw/zinc/44/39/71/624443971.db2.gz YTQQODFKTBBGPS-FUHWJXTLSA-N 2 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000892237434 624443972 /nfs/dbraw/zinc/44/39/72/624443972.db2.gz YTQQODFKTBBGPS-FUHWJXTLSA-N 3 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000892237434 624443973 /nfs/dbraw/zinc/44/39/73/624443973.db2.gz YTQQODFKTBBGPS-FUHWJXTLSA-N 3 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000892237434 624443974 /nfs/dbraw/zinc/44/39/74/624443974.db2.gz YTQQODFKTBBGPS-FUHWJXTLSA-N 3 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000892237434 624443975 /nfs/dbraw/zinc/44/39/75/624443975.db2.gz YTQQODFKTBBGPS-FUHWJXTLSA-N 3 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000892237434 624443976 /nfs/dbraw/zinc/44/39/76/624443976.db2.gz YTQQODFKTBBGPS-FUHWJXTLSA-N 2 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000892237434 624443977 /nfs/dbraw/zinc/44/39/77/624443977.db2.gz YTQQODFKTBBGPS-FUHWJXTLSA-N 2 1 291.483 2.277 20 0 CEADMP CNc1ccccc1C[NH2+]CCCn1cc[nH+]c1C ZINC000902079480 634451925 /nfs/dbraw/zinc/45/19/25/634451925.db2.gz XSVMIDDALCTKRB-UHFFFAOYSA-N 2 1 258.369 2.413 20 0 CEADMP CNc1ccccc1CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000902067623 634461656 /nfs/dbraw/zinc/46/16/56/634461656.db2.gz ZHHWNQBCILAQAZ-HZPDHXFCSA-N 2 1 259.397 2.445 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[nH]n1 ZINC000820822369 634541392 /nfs/dbraw/zinc/54/13/92/634541392.db2.gz IYUVINYJBYFRDA-DIRZVSNBSA-N 2 1 288.439 2.397 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)n[nH]1 ZINC000820822369 634541396 /nfs/dbraw/zinc/54/13/96/634541396.db2.gz IYUVINYJBYFRDA-DIRZVSNBSA-N 2 1 288.439 2.397 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)n[nH]1 ZINC000820822369 634541400 /nfs/dbraw/zinc/54/14/00/634541400.db2.gz IYUVINYJBYFRDA-DIRZVSNBSA-N 2 1 288.439 2.397 20 0 CEADMP C(CN[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C[NH+]1CCCCC1 ZINC000924578984 627313057 /nfs/dbraw/zinc/31/30/57/627313057.db2.gz SITNLVARXJMESK-SJORKVTESA-N 2 1 279.472 2.469 20 0 CEADMP C(C[NH2+][C@@H]1CCCN2CCCC[C@@H]12)C[NH+]1CCCCC1 ZINC000924578984 627313059 /nfs/dbraw/zinc/31/30/59/627313059.db2.gz SITNLVARXJMESK-SJORKVTESA-N 2 1 279.472 2.469 20 0 CEADMP Cc1cc([C@](C)(O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)o1 ZINC000164081229 627368433 /nfs/dbraw/zinc/36/84/33/627368433.db2.gz YHCJUTZVAMAKPK-DJSGYFEHSA-N 2 1 280.412 2.176 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902320530 634569180 /nfs/dbraw/zinc/56/91/80/634569180.db2.gz QCFMWSSJWRPDSU-AWEZNQCLSA-N 3 1 255.450 2.086 20 0 CEADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]CC1CC[NH+](C)CC1 ZINC000892675021 627392645 /nfs/dbraw/zinc/39/26/45/627392645.db2.gz NFUIVOIZYYTZHA-OWCLPIDISA-N 3 1 281.488 2.284 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]CC1CC[NH+](C)CC1 ZINC000892675021 627392648 /nfs/dbraw/zinc/39/26/48/627392648.db2.gz NFUIVOIZYYTZHA-OWCLPIDISA-N 3 1 281.488 2.284 20 0 CEADMP CC1CCN(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902340258 634581507 /nfs/dbraw/zinc/58/15/07/634581507.db2.gz UZDUYPJERVQLFL-HNNXBMFYSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902335895 634597424 /nfs/dbraw/zinc/59/74/24/634597424.db2.gz CPBQCTQLMDYESQ-HUUCEWRRSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902335895 634597431 /nfs/dbraw/zinc/59/74/31/634597431.db2.gz CPBQCTQLMDYESQ-HUUCEWRRSA-N 2 1 267.461 2.229 20 0 CEADMP CCn1cc(CNCc2cccc(C[N@@H+](C)CC)c2)nn1 ZINC000892937970 627866707 /nfs/dbraw/zinc/86/67/07/627866707.db2.gz JTSUQYNSMXKCBT-UHFFFAOYSA-N 2 1 287.411 2.040 20 0 CEADMP CCc1nc(C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cs1 ZINC000328496843 627890434 /nfs/dbraw/zinc/89/04/34/627890434.db2.gz VEFVVBHPEIAROC-MNOVXSKESA-N 2 1 253.415 2.265 20 0 CEADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH3+])CC1 ZINC000902408148 634623292 /nfs/dbraw/zinc/62/32/92/634623292.db2.gz XHAVTGVYQUKKQI-JTQLQIEISA-N 2 1 283.213 2.461 20 0 CEADMP Cc1[nH+]ccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1Cl ZINC000312063289 628089948 /nfs/dbraw/zinc/08/99/48/628089948.db2.gz JMBFJMXAAOKREN-NWDGAFQWSA-N 2 1 281.787 2.319 20 0 CEADMP C[NH+](C)[C@H](CN[C@H]1CC[NH2+]C1(C)C)c1ccsc1 ZINC000925527042 628111603 /nfs/dbraw/zinc/11/16/03/628111603.db2.gz OEHJZQMPLHVKPW-OLZOCXBDSA-N 2 1 267.442 2.081 20 0 CEADMP C[C@H]([NH3+])[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000925538122 628152880 /nfs/dbraw/zinc/15/28/80/628152880.db2.gz RKTWJUPMMHXEDA-ZQIUZPCESA-N 2 1 273.424 2.149 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000925543683 628178506 /nfs/dbraw/zinc/17/85/06/628178506.db2.gz NQENSDVAOCOFRD-WBVHZDCISA-N 2 1 288.435 2.465 20 0 CEADMP c1ccc2c(c1)cncc2C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000312216411 628191524 /nfs/dbraw/zinc/19/15/24/628191524.db2.gz BTFDQAAXPNJQQJ-KRWDZBQOSA-N 2 1 267.376 2.420 20 0 CEADMP C[N@@H+]1CCN(C(=O)CCCCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000312346940 628240097 /nfs/dbraw/zinc/24/00/97/628240097.db2.gz AFAOWOXQASADJP-MRXNPFEDSA-N 2 1 289.423 2.021 20 0 CEADMP C[N@H+]1CCN(C(=O)CCCCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000312346940 628240100 /nfs/dbraw/zinc/24/01/00/628240100.db2.gz AFAOWOXQASADJP-MRXNPFEDSA-N 2 1 289.423 2.021 20 0 CEADMP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2CCCc3c[nH]nc32)C1 ZINC000925592823 628273260 /nfs/dbraw/zinc/27/32/60/628273260.db2.gz HXXZAXVBUOVAEL-JHJVBQTASA-N 2 1 262.401 2.283 20 0 CEADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC000925592823 628273264 /nfs/dbraw/zinc/27/32/64/628273264.db2.gz HXXZAXVBUOVAEL-JHJVBQTASA-N 2 1 262.401 2.283 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CCC(C)(C)CO1 ZINC000902429677 634651375 /nfs/dbraw/zinc/65/13/75/634651375.db2.gz MZABWCRLZJGITE-MGPQQGTHSA-N 2 1 254.418 2.169 20 0 CEADMP CC(C)(C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccn1 ZINC000925678876 628472724 /nfs/dbraw/zinc/47/27/24/628472724.db2.gz HKIPPJDFUNVYNS-AWEZNQCLSA-N 2 1 259.397 2.233 20 0 CEADMP CC(C)(C[NH2+][C@H]1CC[NH2+]C12CCC2)C1(O)CCCC1 ZINC000925692320 628510538 /nfs/dbraw/zinc/51/05/38/628510538.db2.gz OMLPOBYYKXRFPG-ZDUSSCGKSA-N 2 1 266.429 2.192 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925701687 628541091 /nfs/dbraw/zinc/54/10/91/628541091.db2.gz DEJGUKGMPNKEEH-IKGGRYGDSA-N 3 1 287.451 2.272 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000925704595 628548555 /nfs/dbraw/zinc/54/85/55/628548555.db2.gz YYQLQMVBFZFFPZ-MIGQKNRLSA-N 2 1 275.396 2.032 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C12CCCC2 ZINC000902473911 634665787 /nfs/dbraw/zinc/66/57/87/634665787.db2.gz AMUDCFRAOBRCLS-SEBNEYGDSA-N 2 1 264.413 2.207 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](N[C@@H]3CC[NH2+]C3(C)C)C2)cc1 ZINC000925721872 628589765 /nfs/dbraw/zinc/58/97/65/628589765.db2.gz HNNRCXWRHCRBDF-IAGOWNOFSA-N 2 1 287.451 2.299 20 0 CEADMP Fc1cccc(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000257660811 628598994 /nfs/dbraw/zinc/59/89/94/628598994.db2.gz GFLQRQYFCNEJCW-UHFFFAOYSA-N 2 1 262.372 2.444 20 0 CEADMP CC1(C)C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)C[C@@H]([NH3+])C1 ZINC000925726577 628642094 /nfs/dbraw/zinc/64/20/94/628642094.db2.gz UELRIWYQUULRDL-ZACQAIPSSA-N 3 1 289.467 2.442 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCCc3cccnc3)CC[C@@H]21 ZINC000931546525 628687660 /nfs/dbraw/zinc/68/76/60/628687660.db2.gz LLBIFEZDNFERBX-HOTGVXAUSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCCc3cccnc3)CC[C@@H]21 ZINC000931546525 628687662 /nfs/dbraw/zinc/68/76/62/628687662.db2.gz LLBIFEZDNFERBX-HOTGVXAUSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCc3cccnc3)CC[C@@H]21 ZINC000931546525 628687665 /nfs/dbraw/zinc/68/76/65/628687665.db2.gz LLBIFEZDNFERBX-HOTGVXAUSA-N 2 1 259.397 2.040 20 0 CEADMP CC1(C)[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925735536 628694238 /nfs/dbraw/zinc/69/42/38/628694238.db2.gz VPMMFYKTUXYBFW-MVCUBJFGSA-N 2 1 262.319 2.303 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H]1c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000258192285 628696347 /nfs/dbraw/zinc/69/63/47/628696347.db2.gz YRUONIWBVIQOLS-NEPJUHHUSA-N 2 1 264.373 2.082 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000258192285 628696350 /nfs/dbraw/zinc/69/63/50/628696350.db2.gz YRUONIWBVIQOLS-NEPJUHHUSA-N 2 1 264.373 2.082 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c(OC)c1 ZINC000925788857 628830287 /nfs/dbraw/zinc/83/02/87/628830287.db2.gz CHVHBBYCYQSXSM-AGIUHOORSA-N 2 1 278.396 2.210 20 0 CEADMP Cn1cncc1CC[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931912439 628897417 /nfs/dbraw/zinc/89/74/17/628897417.db2.gz XGURZTZZUKXMFO-NSHDSACASA-N 2 1 291.292 2.329 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc[nH]1 ZINC000902502921 634693373 /nfs/dbraw/zinc/69/33/73/634693373.db2.gz VQSJLMHSUCVGRO-JDFRZJQESA-N 2 1 298.390 2.316 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000925834414 628930505 /nfs/dbraw/zinc/93/05/05/628930505.db2.gz HBBMQSWEUCWZRL-AVGNSLFASA-N 2 1 293.377 2.133 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261567690 628940266 /nfs/dbraw/zinc/94/02/66/628940266.db2.gz ILSDDHUEZLIXEE-JKSUJKDBSA-N 2 1 261.413 2.453 20 0 CEADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cncc(F)c1 ZINC000925842362 628945627 /nfs/dbraw/zinc/94/56/27/628945627.db2.gz JFLNWNKFOQKJFC-NILFDRSVSA-N 2 1 263.360 2.404 20 0 CEADMP CC[C@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925843576 628946163 /nfs/dbraw/zinc/94/61/63/628946163.db2.gz FMFYNERGBHNEHX-HOTGVXAUSA-N 2 1 267.461 2.230 20 0 CEADMP Cn1ncc(Cl)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261640497 628956608 /nfs/dbraw/zinc/95/66/08/628956608.db2.gz AGLWKMVXLRTBKS-CYBMUJFWSA-N 2 1 282.819 2.038 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCS1 ZINC000925861797 628961882 /nfs/dbraw/zinc/96/18/82/628961882.db2.gz SMTBECMRGYINNP-QMIVOQANSA-N 2 1 284.469 2.017 20 0 CEADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2nc3c(s2)COCC3)C1 ZINC000925879652 628978806 /nfs/dbraw/zinc/97/88/06/628978806.db2.gz BIHMNHYXFRZZCF-GHMZBOCLSA-N 2 1 295.452 2.211 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CC[N@@H+]1C ZINC000925889191 628984996 /nfs/dbraw/zinc/98/49/96/628984996.db2.gz ZWJNPKRPHMUNOV-LEUOFYLZSA-N 3 1 287.451 2.118 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CC[N@H+]1C ZINC000925889191 628984998 /nfs/dbraw/zinc/98/49/98/628984998.db2.gz ZWJNPKRPHMUNOV-LEUOFYLZSA-N 3 1 287.451 2.118 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)Nc1cc(NC)[nH+]cn1 ZINC000893923692 629047591 /nfs/dbraw/zinc/04/75/91/629047591.db2.gz PAHLOKNOAPNPBS-LLVKDONJSA-N 2 1 251.378 2.051 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)Nc1cc(NC)[nH+]cn1 ZINC000893923692 629047595 /nfs/dbraw/zinc/04/75/95/629047595.db2.gz PAHLOKNOAPNPBS-LLVKDONJSA-N 2 1 251.378 2.051 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902488117 634703798 /nfs/dbraw/zinc/70/37/98/634703798.db2.gz KKLSJQYQAFPEJB-DKIMLUQUSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902488117 634703803 /nfs/dbraw/zinc/70/38/03/634703803.db2.gz KKLSJQYQAFPEJB-DKIMLUQUSA-N 3 1 287.451 2.224 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858115706 629062417 /nfs/dbraw/zinc/06/24/17/629062417.db2.gz FXFPGFSJSFUPPG-CYBMUJFWSA-N 2 1 251.349 2.042 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858115706 629062419 /nfs/dbraw/zinc/06/24/19/629062419.db2.gz FXFPGFSJSFUPPG-CYBMUJFWSA-N 2 1 251.349 2.042 20 0 CEADMP Cc1coc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000894093419 629120698 /nfs/dbraw/zinc/12/06/98/629120698.db2.gz FIKIGQSUMYVTJX-FVQBIDKESA-N 2 1 278.396 2.272 20 0 CEADMP Cc1coc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000894093419 629120699 /nfs/dbraw/zinc/12/06/99/629120699.db2.gz FIKIGQSUMYVTJX-FVQBIDKESA-N 2 1 278.396 2.272 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000878104471 629221356 /nfs/dbraw/zinc/22/13/56/629221356.db2.gz LYOZTAKSYHKHDB-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CC(F)(F)C1 ZINC000894376951 629407933 /nfs/dbraw/zinc/40/79/33/629407933.db2.gz XEBVBSUNAGRSRM-ZDUSSCGKSA-N 2 1 289.414 2.037 20 0 CEADMP CC(C)C[N@H+](C)CCCNc1nccn2c[nH+]cc12 ZINC000894377367 629408828 /nfs/dbraw/zinc/40/88/28/629408828.db2.gz MURFRUINOCFIKI-UHFFFAOYSA-N 2 1 261.373 2.119 20 0 CEADMP CC(C)C[N@@H+](C)CCCNc1nccn2c[nH+]cc12 ZINC000894377367 629408833 /nfs/dbraw/zinc/40/88/33/629408833.db2.gz MURFRUINOCFIKI-UHFFFAOYSA-N 2 1 261.373 2.119 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000894377826 629409622 /nfs/dbraw/zinc/40/96/22/629409622.db2.gz HZDCGGJHAHETLR-MRXNPFEDSA-N 2 1 269.477 2.286 20 0 CEADMP Cc1cc[nH+]c(N)c1CNc1cc(N(C)C)cc[nH+]1 ZINC000894444700 629465012 /nfs/dbraw/zinc/46/50/12/629465012.db2.gz JMHRJBSXIAREAB-UHFFFAOYSA-N 2 1 257.341 2.045 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000894445490 629465685 /nfs/dbraw/zinc/46/56/85/629465685.db2.gz PCIUWQMDYCOZFY-CQSZACIVSA-N 2 1 276.428 2.326 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000894455125 629472360 /nfs/dbraw/zinc/47/23/60/629472360.db2.gz FIADRXJWIATBMY-ZIAGYGMSSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnn(CCF)c3)C2)CC1 ZINC000894476173 629483658 /nfs/dbraw/zinc/48/36/58/629483658.db2.gz CHYRVNBETQFNKL-INIZCTEOSA-N 2 1 294.418 2.016 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000894526448 629512427 /nfs/dbraw/zinc/51/24/27/629512427.db2.gz DPLIRQRHYAFMNJ-AWEZNQCLSA-N 3 1 255.450 2.038 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000894526448 629512431 /nfs/dbraw/zinc/51/24/31/629512431.db2.gz DPLIRQRHYAFMNJ-AWEZNQCLSA-N 3 1 255.450 2.038 20 0 CEADMP Cc1cc(C[NH2+]CCc2c[nH+]cn2C)c2c(n1)CCCC2 ZINC000902621289 634748525 /nfs/dbraw/zinc/74/85/25/634748525.db2.gz DGPUJGYFNBTNNS-UHFFFAOYSA-N 2 1 284.407 2.335 20 0 CEADMP CO[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C12CCC2 ZINC000894753088 629621660 /nfs/dbraw/zinc/62/16/60/629621660.db2.gz ITJANQLPVOLEHL-LSDHHAIUSA-N 2 1 266.429 2.218 20 0 CEADMP Cc1n[nH]c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1C ZINC000894780200 629637826 /nfs/dbraw/zinc/63/78/26/629637826.db2.gz ZLIXFJUIQHMKKB-OAHLLOKOSA-N 2 1 276.428 2.190 20 0 CEADMP Cn1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C2CC2)n1 ZINC000894861056 629698478 /nfs/dbraw/zinc/69/84/78/629698478.db2.gz OLZZVNPIZOOQSC-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP C([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCC2(CC1)OCCO2 ZINC000795900975 629705644 /nfs/dbraw/zinc/70/56/44/629705644.db2.gz ZPXDRARLAVXDDP-HZPDHXFCSA-N 2 1 294.439 2.136 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCC2(CC1)OCCO2 ZINC000795900975 629705646 /nfs/dbraw/zinc/70/56/46/629705646.db2.gz ZPXDRARLAVXDDP-HZPDHXFCSA-N 2 1 294.439 2.136 20 0 CEADMP C[NH+]1CCC(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)CC1 ZINC000894899918 629741017 /nfs/dbraw/zinc/74/10/17/629741017.db2.gz CLJOWRQUEZYITM-SJORKVTESA-N 2 1 274.408 2.136 20 0 CEADMP CC(C)[C@H]1[N@@H+](CC2CC[NH+](C)CC2)CC12CCOCC2 ZINC000894919717 629753683 /nfs/dbraw/zinc/75/36/83/629753683.db2.gz LAHGIDGWYXWYNA-MRXNPFEDSA-N 2 1 280.456 2.465 20 0 CEADMP COC(=O)c1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)cs1 ZINC000894968272 629772793 /nfs/dbraw/zinc/77/27/93/629772793.db2.gz UDDBGKRCOWKYCW-UHFFFAOYSA-N 2 1 296.436 2.499 20 0 CEADMP CCc1cccc(NC(=O)CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000895038513 629809003 /nfs/dbraw/zinc/80/90/03/629809003.db2.gz RNRDIZXMCQTTMR-DZGCQCFKSA-N 2 1 289.423 2.260 20 0 CEADMP CCNC(NCC(C)(C)[N@H+]1CCC[C@H](C)C1)=[NH+]CC ZINC000066244614 629922541 /nfs/dbraw/zinc/92/25/41/629922541.db2.gz KJUDXBGGQFIALF-ZDUSSCGKSA-N 2 1 268.449 2.072 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000262145357 629935621 /nfs/dbraw/zinc/93/56/21/629935621.db2.gz QIOAYTVUOXDQLP-WBVHZDCISA-N 2 1 290.407 2.025 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC[N@@H+]1C ZINC000895204128 630031614 /nfs/dbraw/zinc/03/16/14/630031614.db2.gz FWICWHAVYPJECI-TZMCWYRMSA-N 2 1 285.391 2.100 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC[N@H+]1C ZINC000895204128 630031622 /nfs/dbraw/zinc/03/16/22/630031622.db2.gz FWICWHAVYPJECI-TZMCWYRMSA-N 2 1 285.391 2.100 20 0 CEADMP C[C@H](CC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)[NH+](C)C ZINC000895292647 630084829 /nfs/dbraw/zinc/08/48/29/630084829.db2.gz SVMGFILNLNYVJB-RHSMWYFYSA-N 2 1 292.423 2.284 20 0 CEADMP COCCOc1cccc(C[NH2+]CC[C@H](C)[NH+](C)C)c1 ZINC000895298972 630087517 /nfs/dbraw/zinc/08/75/17/630087517.db2.gz DKWQTQDWOQEFDT-AWEZNQCLSA-N 2 1 280.412 2.142 20 0 CEADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895377554 630148775 /nfs/dbraw/zinc/14/87/75/630148775.db2.gz MCXXBYJUQOYPRT-DOMZBBRYSA-N 2 1 264.417 2.270 20 0 CEADMP Cc1n[nH]cc1C[N@@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895377554 630148778 /nfs/dbraw/zinc/14/87/78/630148778.db2.gz MCXXBYJUQOYPRT-DOMZBBRYSA-N 2 1 264.417 2.270 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC000895451413 630198450 /nfs/dbraw/zinc/19/84/50/630198450.db2.gz YFSXNNYGCWSBGS-QGZVFWFLSA-N 2 1 274.408 2.482 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC=CO2)CCN1c1cc[nH+]cc1 ZINC000895556937 630248354 /nfs/dbraw/zinc/24/83/54/630248354.db2.gz NOMSMHFMERCHSH-GDBMZVCRSA-N 2 1 273.380 2.285 20 0 CEADMP Cc1ncoc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895557160 630248556 /nfs/dbraw/zinc/24/85/56/630248556.db2.gz NNCPIGLWRQOEPW-LBPRGKRZSA-N 2 1 272.352 2.089 20 0 CEADMP Cc1ncoc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895557160 630248558 /nfs/dbraw/zinc/24/85/58/630248558.db2.gz NNCPIGLWRQOEPW-LBPRGKRZSA-N 2 1 272.352 2.089 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902735990 634802389 /nfs/dbraw/zinc/80/23/89/634802389.db2.gz MQBUUQWOEJXGFO-AALSBFMBSA-N 2 1 266.429 2.120 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000895798652 630353139 /nfs/dbraw/zinc/35/31/39/630353139.db2.gz IVLTVIPXGAETDF-CQSZACIVSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000895937380 630411906 /nfs/dbraw/zinc/41/19/06/630411906.db2.gz PYUNAYIUAVRAIC-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000895937380 630411908 /nfs/dbraw/zinc/41/19/08/630411908.db2.gz PYUNAYIUAVRAIC-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@@H+](CCc1ccc2c(c1)OCO2)CC1CC[NH+](C)CC1 ZINC000896068026 630456840 /nfs/dbraw/zinc/45/68/40/630456840.db2.gz GSGYGDROHCWBDP-UHFFFAOYSA-N 2 1 290.407 2.231 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000896694080 630640502 /nfs/dbraw/zinc/64/05/02/630640502.db2.gz SGQKXYSFBJLMCH-HUUCEWRRSA-N 2 1 295.471 2.192 20 0 CEADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000896694080 630640505 /nfs/dbraw/zinc/64/05/05/630640505.db2.gz SGQKXYSFBJLMCH-HUUCEWRRSA-N 2 1 295.471 2.192 20 0 CEADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000896694080 630640507 /nfs/dbraw/zinc/64/05/07/630640507.db2.gz SGQKXYSFBJLMCH-HUUCEWRRSA-N 2 1 295.471 2.192 20 0 CEADMP C[N@@H+](CCC[NH2+]CC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000054239773 630695812 /nfs/dbraw/zinc/69/58/12/630695812.db2.gz BIVGKIATYCFQMK-UHFFFAOYSA-N 3 1 289.467 2.440 20 0 CEADMP CN(CCC[NH2+]CC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000054239773 630695813 /nfs/dbraw/zinc/69/58/13/630695813.db2.gz BIVGKIATYCFQMK-UHFFFAOYSA-N 2 1 289.467 2.440 20 0 CEADMP CCO[C@H](C[NH2+]CCc1ccc(F)c(F)c1)C[NH+](C)C ZINC000896879043 630698731 /nfs/dbraw/zinc/69/87/31/630698731.db2.gz YACGVZZOFNDPOB-CYBMUJFWSA-N 2 1 286.366 2.064 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C[C@H]1CCc2ccccc21 ZINC000798227673 630841396 /nfs/dbraw/zinc/84/13/96/630841396.db2.gz OGKNZXBCMKJBBE-MRXNPFEDSA-N 2 1 276.424 2.274 20 0 CEADMP CC(C)C[C@H]1COCC[N@@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904320460 635566169 /nfs/dbraw/zinc/56/61/69/635566169.db2.gz ICMSTSKQYWEOCM-GJZGRUSLSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)C[C@H]1COCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904320460 635566183 /nfs/dbraw/zinc/56/61/83/635566183.db2.gz ICMSTSKQYWEOCM-GJZGRUSLSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@@H+](C[C@]1(C)CCC[NH2+]C1)[C@@H](CCO)c1ccccc1 ZINC000904322428 635569589 /nfs/dbraw/zinc/56/95/89/635569589.db2.gz YBPJZRMRLGEXMC-DLBZAZTESA-N 2 1 276.424 2.432 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCc2c(F)cc(O)cc2F)CC[N@H+]1C ZINC000897304560 631068968 /nfs/dbraw/zinc/06/89/68/631068968.db2.gz GMPIQDXTQNZXKP-MNOVXSKESA-N 2 1 284.350 2.285 20 0 CEADMP C[C@@H]1CN(C[C@@H]([NH3+])CCC(C)(C)C)[C@@H](C)C[N@H+]1C ZINC000904341172 635579157 /nfs/dbraw/zinc/57/91/57/635579157.db2.gz JVPVGASPTAAYKI-RDBSUJKOSA-N 2 1 255.450 2.164 20 0 CEADMP CC[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)[C@H]1CCCOC1 ZINC000872025998 631229676 /nfs/dbraw/zinc/22/96/76/631229676.db2.gz XOEZMPCNHXQLDW-SOUVJXGZSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H](C1CCCCC1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000801600428 631299009 /nfs/dbraw/zinc/29/90/09/631299009.db2.gz GIBKRAJDSZJTPZ-GDBMZVCRSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@H](C1CCCCC1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000801600428 631299013 /nfs/dbraw/zinc/29/90/13/631299013.db2.gz GIBKRAJDSZJTPZ-GDBMZVCRSA-N 2 1 268.445 2.344 20 0 CEADMP CCC(CC)NC(=[NH2+])NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000864460742 631674018 /nfs/dbraw/zinc/67/40/18/631674018.db2.gz ZYFFZDYULXMWKM-ZDUSSCGKSA-N 2 1 268.449 2.267 20 0 CEADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000806137988 631718572 /nfs/dbraw/zinc/71/85/72/631718572.db2.gz PYBWNHYUQLDLNC-YJNKXOJESA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000806137988 631718577 /nfs/dbraw/zinc/71/85/77/631718577.db2.gz PYBWNHYUQLDLNC-YJNKXOJESA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000806137987 631718732 /nfs/dbraw/zinc/71/87/32/631718732.db2.gz PYBWNHYUQLDLNC-XQLPTFJDSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000806137987 631718737 /nfs/dbraw/zinc/71/87/37/631718737.db2.gz PYBWNHYUQLDLNC-XQLPTFJDSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cn(C)cn2)C1 ZINC000808379251 631952618 /nfs/dbraw/zinc/95/26/18/631952618.db2.gz JRQORKDZARSODM-GASCZTMLSA-N 2 1 278.444 2.268 20 0 CEADMP CC[C@@](C)([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000809971880 632163100 /nfs/dbraw/zinc/16/31/00/632163100.db2.gz NFWYAPUZSBPCGM-DLBZAZTESA-N 2 1 276.424 2.357 20 0 CEADMP CC[C@@](C)([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000809971880 632163103 /nfs/dbraw/zinc/16/31/03/632163103.db2.gz NFWYAPUZSBPCGM-DLBZAZTESA-N 2 1 276.424 2.357 20 0 CEADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cncs1 ZINC000322642802 632234294 /nfs/dbraw/zinc/23/42/94/632234294.db2.gz YNDXWJNMXBTTMH-WAAKLRNESA-N 2 1 251.399 2.419 20 0 CEADMP C(C[N@H+]1CC[C@@H]2CSC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000866703117 632341596 /nfs/dbraw/zinc/34/15/96/632341596.db2.gz FMAJWOMWBHKPAK-BFHYXJOUSA-N 2 1 254.443 2.061 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)OCCC[NH+]1CCCCC1 ZINC000923887058 632366690 /nfs/dbraw/zinc/36/66/90/632366690.db2.gz CSWCMBGZCXOEAO-HNNXBMFYSA-N 2 1 282.428 2.278 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1(Br)CC1 ZINC000924647385 632387850 /nfs/dbraw/zinc/38/78/50/632387850.db2.gz JKYGTNPCUPQXSK-QWRGUYRKSA-N 2 1 287.245 2.376 20 0 CEADMP CCO[C@H](C[NH2+][C@@H](C)Cc1cccs1)C[NH+](C)C ZINC000926965060 632391035 /nfs/dbraw/zinc/39/10/35/632391035.db2.gz OMBNSMMECNNUOK-QWHCGFSZSA-N 2 1 270.442 2.235 20 0 CEADMP CCO[C@H](C[NH2+][C@H](C1CC1)C(C)(C)C)C[NH+](C)C ZINC000926963202 632391622 /nfs/dbraw/zinc/39/16/22/632391622.db2.gz SYCZWUDMICELMS-ZIAGYGMSSA-N 2 1 256.434 2.367 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC23CCCCC3)C1 ZINC000924706133 632441178 /nfs/dbraw/zinc/44/11/78/632441178.db2.gz OJWJIXUSOPAOMX-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC000924711796 632450099 /nfs/dbraw/zinc/45/00/99/632450099.db2.gz DSIBNOSVSBAXLY-GFCCVEGCSA-N 2 1 276.388 2.105 20 0 CEADMP C[C@H](NC(=[NH2+])NCC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000899266745 632765355 /nfs/dbraw/zinc/76/53/55/632765355.db2.gz XBERVRNFJRNABS-LBPRGKRZSA-N 2 1 266.433 2.163 20 0 CEADMP C[N@H+]1CCC[C@@]2(CCN(C[C@@H](O)c3cccc(F)c3)C2)C1 ZINC000815144457 632971114 /nfs/dbraw/zinc/97/11/14/632971114.db2.gz ZXLKQEOKEKPRKK-IAGOWNOFSA-N 2 1 292.398 2.277 20 0 CEADMP C[NH+](C)C1CCC(Nc2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000817124343 633588757 /nfs/dbraw/zinc/58/87/57/633588757.db2.gz FGEYSKVQWFMPKB-UHFFFAOYSA-N 2 1 289.427 2.362 20 0 CEADMP Cc1noc(C)c1CCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000817899803 633760684 /nfs/dbraw/zinc/76/06/84/633760684.db2.gz QCDYKKANYRPWHC-SNVBAGLBSA-N 2 1 274.368 2.382 20 0 CEADMP O[C@H](C[NH2+]C1CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000817905499 633764793 /nfs/dbraw/zinc/76/47/93/633764793.db2.gz IVVRMKDNBGNKSV-GFCCVEGCSA-N 2 1 289.206 2.368 20 0 CEADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000817906068 633766334 /nfs/dbraw/zinc/76/63/34/633766334.db2.gz XJCOYRIWVVNCCK-VRKREXBASA-N 2 1 262.397 2.229 20 0 CEADMP C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000817906066 633766666 /nfs/dbraw/zinc/76/66/66/633766666.db2.gz XJCOYRIWVVNCCK-RRCSTGOVSA-N 2 1 262.397 2.229 20 0 CEADMP CC[C@H]([NH2+]C[C@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817913689 633771832 /nfs/dbraw/zinc/77/18/32/633771832.db2.gz QRVYCKNOGBFEGE-JYJNAYRXSA-N 2 1 262.397 2.014 20 0 CEADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000817913431 633772159 /nfs/dbraw/zinc/77/21/59/633772159.db2.gz PFPRBIJEVGBCNS-LPWJVIDDSA-N 2 1 268.426 2.290 20 0 CEADMP CC[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)[C@@H]1CCC[NH2+]1 ZINC000817913678 633772238 /nfs/dbraw/zinc/77/22/38/633772238.db2.gz QOGUOXBIXIQECK-MELADBBJSA-N 2 1 268.426 2.076 20 0 CEADMP C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1c[nH+]ccc1N ZINC000817913980 633772270 /nfs/dbraw/zinc/77/22/70/633772270.db2.gz SOILAOODAAGGME-YGRLFVJLSA-N 2 1 277.393 2.114 20 0 CEADMP CC[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817924799 633781214 /nfs/dbraw/zinc/78/12/14/633781214.db2.gz YPZCDHYFDZSHQV-IXDOHACOSA-N 2 1 276.424 2.404 20 0 CEADMP CC[C@H]([NH2+][C@H](CCO)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817927539 633782307 /nfs/dbraw/zinc/78/23/07/633782307.db2.gz GSMSWIYDMLCRHA-IKGGRYGDSA-N 2 1 276.424 2.100 20 0 CEADMP C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000817928362 633783485 /nfs/dbraw/zinc/78/34/85/633783485.db2.gz WCQRBZYAYOYOQA-HYVNUMGLSA-N 2 1 276.424 2.100 20 0 CEADMP CCc1ccc([C@H](O)C[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)cc1 ZINC000817928924 633783613 /nfs/dbraw/zinc/78/36/13/633783613.db2.gz IIADACAJELMPQL-IXDOHACOSA-N 2 1 276.424 2.403 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc2c(c1)CCO2 ZINC000817966057 633807613 /nfs/dbraw/zinc/80/76/13/633807613.db2.gz ZVUHCGKMZGWQQG-LSDHHAIUSA-N 2 1 260.381 2.400 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccnc(Cl)c1 ZINC000817970700 633813672 /nfs/dbraw/zinc/81/36/72/633813672.db2.gz CMNVWTLFBQBADZ-JBLDHEPKSA-N 2 1 253.777 2.384 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000817978505 633821821 /nfs/dbraw/zinc/82/18/21/633821821.db2.gz BXFVPLHOTFGEMD-GXTWGEPZSA-N 2 1 275.396 2.201 20 0 CEADMP C[NH2+]C[C@H]1CCCCN1Cc1[nH+]cc(C)c(OC)c1C ZINC000042407851 633949772 /nfs/dbraw/zinc/94/97/72/633949772.db2.gz FQNPYPMOEWFQAB-CQSZACIVSA-N 2 1 277.412 2.281 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)C1CC1 ZINC000818959561 634017879 /nfs/dbraw/zinc/01/78/79/634017879.db2.gz NWTIOPZWPHCSDE-ZFWWWQNUSA-N 2 1 254.418 2.002 20 0 CEADMP Cc1cc(C)cc([C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000818971725 634023496 /nfs/dbraw/zinc/02/34/96/634023496.db2.gz CLZCJNCKPQZNOS-YJBOKZPZSA-N 2 1 288.435 2.411 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000818981449 634027910 /nfs/dbraw/zinc/02/79/10/634027910.db2.gz UFPQRBRNZZXHBC-WFASDCNBSA-N 2 1 298.377 2.320 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000818981449 634027913 /nfs/dbraw/zinc/02/79/13/634027913.db2.gz UFPQRBRNZZXHBC-WFASDCNBSA-N 2 1 298.377 2.320 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000818984317 634029552 /nfs/dbraw/zinc/02/95/52/634029552.db2.gz DOHPSQZAXWVXMF-RDJZCZTQSA-N 2 1 276.424 2.430 20 0 CEADMP C[C@@H](CC[NH2+]C[C@H](O)c1ccc(F)cn1)[NH+]1CCCCC1 ZINC000819230657 634111022 /nfs/dbraw/zinc/11/10/22/634111022.db2.gz KODFRWGRYODQLU-BBRMVZONSA-N 2 1 295.402 2.108 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@H](O)c1ccc(F)c(F)c1)C1CC1 ZINC000819362730 634155301 /nfs/dbraw/zinc/15/53/01/634155301.db2.gz QSYWTAIQFVLVQU-INIZCTEOSA-N 2 1 298.377 2.462 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2cccc(F)c2)C1 ZINC000819366142 634157481 /nfs/dbraw/zinc/15/74/81/634157481.db2.gz KALABCLOSYBNHI-BBRMVZONSA-N 2 1 280.387 2.181 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000819366289 634157545 /nfs/dbraw/zinc/15/75/45/634157545.db2.gz MSWWAOHSRYNHNR-MLGOLLRUSA-N 2 1 298.377 2.320 20 0 CEADMP C[C@H](Cc1cnccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903083198 634960997 /nfs/dbraw/zinc/96/09/97/634960997.db2.gz BGNHQJNOTTULCK-KZWSWKJNSA-N 2 1 286.423 2.155 20 0 CEADMP C1=CO[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903152787 634990729 /nfs/dbraw/zinc/99/07/29/634990729.db2.gz IGFUVCKVMPNXHT-WDVRLDOZSA-N 2 1 262.397 2.427 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)[C@@H](C)C1 ZINC000903181442 635001721 /nfs/dbraw/zinc/00/17/21/635001721.db2.gz PZFJLIFWHZCXCN-ZDEQEGDKSA-N 2 1 294.361 2.416 20 0 CEADMP C[NH+]1CCC([NH2+]CCc2ccc3ncccc3c2)CC1 ZINC000903194832 635005502 /nfs/dbraw/zinc/00/55/02/635005502.db2.gz LCBKDXHPVWRAPX-UHFFFAOYSA-N 2 1 269.392 2.461 20 0 CEADMP COC(=O)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903219176 635021593 /nfs/dbraw/zinc/02/15/93/635021593.db2.gz GNSYLKSPMRZSGY-WYIYSYCWSA-N 2 1 292.423 2.076 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)[C@H]2CCC[C@@H]21 ZINC000903261550 635034025 /nfs/dbraw/zinc/03/40/25/635034025.db2.gz ZYVFGLZMJGVMLA-LEOABGAYSA-N 2 1 264.413 2.016 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](CO)CCc2ccccc2)[C@@H](C)C1 ZINC000903290474 635053964 /nfs/dbraw/zinc/05/39/64/635053964.db2.gz WTECYHNJZWQXLW-SZMVWBNQSA-N 2 1 290.451 2.300 20 0 CEADMP CC1(C)CC[N@@H+](CCNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903343892 635070941 /nfs/dbraw/zinc/07/09/41/635070941.db2.gz KIADDYFBLIDAAJ-ZXFUBFMLSA-N 2 1 291.483 2.466 20 0 CEADMP CC1(C)CC[NH+](CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903343892 635070943 /nfs/dbraw/zinc/07/09/43/635070943.db2.gz KIADDYFBLIDAAJ-ZXFUBFMLSA-N 2 1 291.483 2.466 20 0 CEADMP CC1(C)CC[NH+](CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903343892 635070946 /nfs/dbraw/zinc/07/09/46/635070946.db2.gz KIADDYFBLIDAAJ-ZXFUBFMLSA-N 2 1 291.483 2.466 20 0 CEADMP CC(C)O[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCOC1 ZINC000903357189 635084355 /nfs/dbraw/zinc/08/43/55/635084355.db2.gz KNWZFJSKTBZUEB-NCOADZHNSA-N 2 1 296.455 2.033 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000903436715 635116712 /nfs/dbraw/zinc/11/67/12/635116712.db2.gz AFXRRYQSUCEPFT-COXVUDFISA-N 2 1 258.409 2.331 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000903439287 635117663 /nfs/dbraw/zinc/11/76/63/635117663.db2.gz DPPYATSVJANBPK-ZOBORPQBSA-N 2 1 254.443 2.202 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000903439287 635117665 /nfs/dbraw/zinc/11/76/65/635117665.db2.gz DPPYATSVJANBPK-ZOBORPQBSA-N 2 1 254.443 2.202 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@H](c3ccsc3)C2)C1 ZINC000903439568 635118556 /nfs/dbraw/zinc/11/85/56/635118556.db2.gz KWIXWYIFSLUNSB-YUTCNCBUSA-N 2 1 266.410 2.249 20 0 CEADMP CC(C)(C)c1ncc2c(n1)CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903464426 635124486 /nfs/dbraw/zinc/12/44/86/635124486.db2.gz MXIGDOLEYQAUJS-OCCSQVGLSA-N 2 1 288.439 2.260 20 0 CEADMP c1cc2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)cc2[nH]1 ZINC000903460160 635125841 /nfs/dbraw/zinc/12/58/41/635125841.db2.gz YMTDOKHVSMYGEN-UHFFFAOYSA-N 2 1 255.365 2.496 20 0 CEADMP C[C@@H](c1ncccn1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000903463723 635127144 /nfs/dbraw/zinc/12/71/44/635127144.db2.gz KHMVYONARYLWFG-DZGCQCFKSA-N 2 1 274.412 2.249 20 0 CEADMP Cc1ccc(N2CCC[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)cc1 ZINC000903442629 635129543 /nfs/dbraw/zinc/12/95/43/635129543.db2.gz VFOUBBULWOJXSP-SJORKVTESA-N 2 1 287.451 2.363 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000903454851 635138188 /nfs/dbraw/zinc/13/81/88/635138188.db2.gz KYGZKFJLGSSYTG-LDMBFOFVSA-N 2 1 280.334 2.072 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC2(CCCC2)O1 ZINC000903472653 635143083 /nfs/dbraw/zinc/14/30/83/635143083.db2.gz UGMGPFSCAXRCCB-KBPBESRZSA-N 2 1 264.413 2.352 20 0 CEADMP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)C[C@@H]21 ZINC000903476281 635145413 /nfs/dbraw/zinc/14/54/13/635145413.db2.gz SUKVUXIDBLGUGZ-XGFWRYKXSA-N 2 1 270.367 2.352 20 0 CEADMP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)C[C@@H]21 ZINC000903476281 635145415 /nfs/dbraw/zinc/14/54/15/635145415.db2.gz SUKVUXIDBLGUGZ-XGFWRYKXSA-N 2 1 270.367 2.352 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H](C(F)(F)F)O1 ZINC000903479032 635148805 /nfs/dbraw/zinc/14/88/05/635148805.db2.gz QMYJAPMKALRMPC-USZNOCQGSA-N 2 1 280.334 2.156 20 0 CEADMP CC1(C)CC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)OC1 ZINC000903482242 635149460 /nfs/dbraw/zinc/14/94/60/635149460.db2.gz ZSWGJGNYNDNECT-KBPBESRZSA-N 2 1 266.429 2.456 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000903482638 635151040 /nfs/dbraw/zinc/15/10/40/635151040.db2.gz NOQBRPIFHQZKJE-LMSBXDPUSA-N 3 1 293.499 2.462 20 0 CEADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@H](OC)C1CCCC1 ZINC000903529367 635162213 /nfs/dbraw/zinc/16/22/13/635162213.db2.gz ZCAWSNGOJIJUIU-GJZGRUSLSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@H](OC)C1CCCC1 ZINC000903529367 635162217 /nfs/dbraw/zinc/16/22/17/635162217.db2.gz ZCAWSNGOJIJUIU-GJZGRUSLSA-N 2 1 254.418 2.266 20 0 CEADMP CC1(C)C[N@H+](Cc2cccc3ncccc23)C[C@H]1N ZINC000903559853 635163396 /nfs/dbraw/zinc/16/33/96/635163396.db2.gz KCJRAHXEGWBYBU-OAHLLOKOSA-N 2 1 255.365 2.404 20 0 CEADMP CC1(C)C[N@@H+](Cc2cccc3ncccc23)C[C@H]1N ZINC000903559853 635163401 /nfs/dbraw/zinc/16/34/01/635163401.db2.gz KCJRAHXEGWBYBU-OAHLLOKOSA-N 2 1 255.365 2.404 20 0 CEADMP C[N@@H+](CCC[NH3+])CCOc1ccc(F)c(Cl)c1 ZINC000903717207 635232734 /nfs/dbraw/zinc/23/27/34/635232734.db2.gz JXEVDXAHJHUFJV-UHFFFAOYSA-N 2 1 260.740 2.139 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCCC[NH2+]C1 ZINC000903719103 635233943 /nfs/dbraw/zinc/23/39/43/635233943.db2.gz VQVIHRGOTSPAOI-AWEZNQCLSA-N 2 1 276.380 2.237 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCCC[NH2+]C1 ZINC000903719103 635233945 /nfs/dbraw/zinc/23/39/45/635233945.db2.gz VQVIHRGOTSPAOI-AWEZNQCLSA-N 2 1 276.380 2.237 20 0 CEADMP C[N@@H+](C[C@H]1CCCC[NH2+]C1)C1Cc2ccccc2C1 ZINC000903722303 635236157 /nfs/dbraw/zinc/23/61/57/635236157.db2.gz KIRDVUUHWCVJEP-AWEZNQCLSA-N 2 1 258.409 2.475 20 0 CEADMP CC[N@@H+](CCC(F)(F)F)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725627 635238297 /nfs/dbraw/zinc/23/82/97/635238297.db2.gz DWNILKVMJYDJMW-GFCCVEGCSA-N 2 1 294.361 2.419 20 0 CEADMP c1cc2c(s1)CC[N@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903725164 635238489 /nfs/dbraw/zinc/23/84/89/635238489.db2.gz XMMNVSNTSYREOZ-CQSZACIVSA-N 2 1 292.448 2.265 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903725590 635238766 /nfs/dbraw/zinc/23/87/66/635238766.db2.gz DEANOLZQOQFXBP-JKSUJKDBSA-N 2 1 295.471 2.004 20 0 CEADMP Cc1cccc(C[N@@H+](C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903724930 635238800 /nfs/dbraw/zinc/23/88/00/635238800.db2.gz SKAYYSQJUABJMV-IRXDYDNUSA-N 2 1 274.408 2.195 20 0 CEADMP CC(C)C[C@@H]1COCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903729633 635240333 /nfs/dbraw/zinc/24/03/33/635240333.db2.gz PQWCUKLSJAGZIM-HUUCEWRRSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)C[C@@H]1COCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903729633 635240337 /nfs/dbraw/zinc/24/03/37/635240337.db2.gz PQWCUKLSJAGZIM-HUUCEWRRSA-N 2 1 254.418 2.123 20 0 CEADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000903730067 635241953 /nfs/dbraw/zinc/24/19/53/635241953.db2.gz TXCBLTBQCWTLOJ-QLFBSQMISA-N 2 1 264.413 2.162 20 0 CEADMP CC[C@]1(C)CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903730129 635242393 /nfs/dbraw/zinc/24/23/93/635242393.db2.gz UKFPEKRTDDEQLC-ARFHVFGLSA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903712979 635244230 /nfs/dbraw/zinc/24/42/30/635244230.db2.gz CSCFFZFMAORGOP-SRVKXCTJSA-N 2 1 280.334 2.157 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903712979 635244236 /nfs/dbraw/zinc/24/42/36/635244236.db2.gz CSCFFZFMAORGOP-SRVKXCTJSA-N 2 1 280.334 2.157 20 0 CEADMP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903747735 635246626 /nfs/dbraw/zinc/24/66/26/635246626.db2.gz WATFXSZWXJNJRW-QGZVFWFLSA-N 3 1 275.440 2.227 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903747735 635246629 /nfs/dbraw/zinc/24/66/29/635246629.db2.gz WATFXSZWXJNJRW-QGZVFWFLSA-N 3 1 275.440 2.227 20 0 CEADMP C[N@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@H](CN)C1CC1 ZINC000903749402 635248311 /nfs/dbraw/zinc/24/83/11/635248311.db2.gz KQGIAPUNYGXMKF-TUAOUCFPSA-N 2 1 280.334 2.156 20 0 CEADMP C[N@@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@H](CN)C1CC1 ZINC000903749402 635248313 /nfs/dbraw/zinc/24/83/13/635248313.db2.gz KQGIAPUNYGXMKF-TUAOUCFPSA-N 2 1 280.334 2.156 20 0 CEADMP C[N@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@H](C[NH3+])C1CC1 ZINC000903749402 635248315 /nfs/dbraw/zinc/24/83/15/635248315.db2.gz KQGIAPUNYGXMKF-TUAOUCFPSA-N 2 1 280.334 2.156 20 0 CEADMP C[N@@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@H](C[NH3+])C1CC1 ZINC000903749402 635248319 /nfs/dbraw/zinc/24/83/19/635248319.db2.gz KQGIAPUNYGXMKF-TUAOUCFPSA-N 2 1 280.334 2.156 20 0 CEADMP CC[C@@]1(C)CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903734488 635250296 /nfs/dbraw/zinc/25/02/96/635250296.db2.gz RNMUQJNEZKMKHJ-CABCVRRESA-N 2 1 266.429 2.267 20 0 CEADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903757042 635260920 /nfs/dbraw/zinc/26/09/20/635260920.db2.gz AXACIFIGVDDASJ-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903781704 635267492 /nfs/dbraw/zinc/26/74/92/635267492.db2.gz UZRQGJOMKMBAIB-AEFFLSMTSA-N 2 1 299.418 2.368 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812146 635285883 /nfs/dbraw/zinc/28/58/83/635285883.db2.gz QWWMLQBAMPPUGI-OAHLLOKOSA-N 3 1 267.461 2.489 20 0 CEADMP NCC1([C@H]2CCCC[N@@H+]2CCCCCC[NH3+])CCC1 ZINC000903812146 635285889 /nfs/dbraw/zinc/28/58/89/635285889.db2.gz QWWMLQBAMPPUGI-OAHLLOKOSA-N 2 1 267.461 2.489 20 0 CEADMP NCC1([C@H]2CCCC[N@H+]2CCCCCC[NH3+])CCC1 ZINC000903812146 635285897 /nfs/dbraw/zinc/28/58/97/635285897.db2.gz QWWMLQBAMPPUGI-OAHLLOKOSA-N 2 1 267.461 2.489 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000903823929 635292321 /nfs/dbraw/zinc/29/23/21/635292321.db2.gz LNAXDVICIYWZQO-HZPDHXFCSA-N 2 1 284.444 2.023 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCN(c2ccccc2)[C@H](C)C1 ZINC000903832410 635296688 /nfs/dbraw/zinc/29/66/88/635296688.db2.gz REBATVDGAGACID-OAGGEKHMSA-N 2 1 273.424 2.053 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000903843830 635302004 /nfs/dbraw/zinc/30/20/04/635302004.db2.gz UNAGVEKJSNKGFE-UXLLHSPISA-N 2 1 282.391 2.184 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCCOCCc1ccccc1 ZINC000903855757 635305973 /nfs/dbraw/zinc/30/59/73/635305973.db2.gz OZZMTHXUHLCKDX-ROUUACIJSA-N 2 1 288.435 2.449 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCCOCCc1ccccc1 ZINC000903855757 635305981 /nfs/dbraw/zinc/30/59/81/635305981.db2.gz OZZMTHXUHLCKDX-ROUUACIJSA-N 2 1 288.435 2.449 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903864711 635315293 /nfs/dbraw/zinc/31/52/93/635315293.db2.gz VYRYVZXNDOURKO-UJPOAAIJSA-N 2 1 256.340 2.091 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903864711 635315298 /nfs/dbraw/zinc/31/52/98/635315298.db2.gz VYRYVZXNDOURKO-UJPOAAIJSA-N 2 1 256.340 2.091 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCNCC12CCCCC2 ZINC000903873349 635320787 /nfs/dbraw/zinc/32/07/87/635320787.db2.gz HNSIDIDUACWJQZ-MQVJKMGUSA-N 2 1 277.456 2.125 20 0 CEADMP CC[C@H](C)C[N@@H+](CC)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903900059 635334989 /nfs/dbraw/zinc/33/49/89/635334989.db2.gz ZKWMMSMXWDBKEU-KBPBESRZSA-N 2 1 279.432 2.071 20 0 CEADMP CC[C@H](C)C[N@@H+](CC)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899861 635335571 /nfs/dbraw/zinc/33/55/71/635335571.db2.gz XUOMMZQRRYJWGM-DZGCQCFKSA-N 2 1 280.460 2.214 20 0 CEADMP C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1n1ccnc1 ZINC000903900145 635335639 /nfs/dbraw/zinc/33/56/39/635335639.db2.gz ZOZGZUWQVIBESK-ZCRFILTFSA-N 2 1 288.439 2.297 20 0 CEADMP CC(C)[C@H]1CN(C)CC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903901975 635338149 /nfs/dbraw/zinc/33/81/49/635338149.db2.gz CDYZKPDEGRIPMW-GOSISDBHSA-N 2 1 287.451 2.104 20 0 CEADMP CC(C)[C@H]1C[N@H+](C)CCN1Cc1cccc2c1CC[NH2+]C2 ZINC000903901975 635338154 /nfs/dbraw/zinc/33/81/54/635338154.db2.gz CDYZKPDEGRIPMW-GOSISDBHSA-N 2 1 287.451 2.104 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C)CCN1Cc1cccc2c1CC[NH2+]C2 ZINC000903901975 635338157 /nfs/dbraw/zinc/33/81/57/635338157.db2.gz CDYZKPDEGRIPMW-GOSISDBHSA-N 2 1 287.451 2.104 20 0 CEADMP C[N@H+]1CC=C(C[NH2+]Cc2ccnc(Cl)c2F)CC1 ZINC000824073003 635340209 /nfs/dbraw/zinc/34/02/09/635340209.db2.gz BCCFIXXJMWOPHM-UHFFFAOYSA-N 2 1 269.751 2.226 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccnc(Cl)c2F)CC1 ZINC000824073003 635340214 /nfs/dbraw/zinc/34/02/14/635340214.db2.gz BCCFIXXJMWOPHM-UHFFFAOYSA-N 2 1 269.751 2.226 20 0 CEADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903911193 635344623 /nfs/dbraw/zinc/34/46/23/635344623.db2.gz YPFKPVQTXNLCKF-LBTNJELSSA-N 2 1 288.435 2.314 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000903930253 635357074 /nfs/dbraw/zinc/35/70/74/635357074.db2.gz VUWFHGLVKYCVNS-QPBSCJPLSA-N 2 1 278.440 2.408 20 0 CEADMP Cn1nccc1[C@@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918176 635366523 /nfs/dbraw/zinc/36/65/23/635366523.db2.gz UIFFDIRPFCKWRU-BTFYYFJDSA-N 2 1 288.439 2.478 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000903960509 635370797 /nfs/dbraw/zinc/37/07/97/635370797.db2.gz NJJKMAMVRRSWFQ-NVXWUHKLSA-N 2 1 289.467 2.342 20 0 CEADMP c1c(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)sc2c1C[NH2+]CC2 ZINC000903954785 635387314 /nfs/dbraw/zinc/38/73/14/635387314.db2.gz VQOVBXKUWDBHCX-DOMZBBRYSA-N 2 1 292.448 2.395 20 0 CEADMP C[C@@H](CC1CCC1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971402 635390224 /nfs/dbraw/zinc/39/02/24/635390224.db2.gz AUZHUEHSHZXFKI-DZGCQCFKSA-N 2 1 266.429 2.313 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc3c(s2)CCCC3)C[C@H]1CC[NH3+] ZINC000903977062 635394787 /nfs/dbraw/zinc/39/47/87/635394787.db2.gz IIOAIADMFYZGBK-VXGBXAGGSA-N 2 1 279.453 2.439 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000903968340 635400510 /nfs/dbraw/zinc/40/05/10/635400510.db2.gz TWRQFEYCHYCXFJ-CBZIJGRNSA-N 3 1 293.499 2.475 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904299710 635552244 /nfs/dbraw/zinc/55/22/44/635552244.db2.gz MFEPUVBJYXTZMG-HNNXBMFYSA-N 2 1 274.408 2.443 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904299710 635552248 /nfs/dbraw/zinc/55/22/48/635552248.db2.gz MFEPUVBJYXTZMG-HNNXBMFYSA-N 2 1 274.408 2.443 20 0 CEADMP COc1ccc(CCC[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904312128 635560526 /nfs/dbraw/zinc/56/05/26/635560526.db2.gz GXBIVTJIMABKDA-GASCZTMLSA-N 2 1 262.397 2.297 20 0 CEADMP C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904331180 635576153 /nfs/dbraw/zinc/57/61/53/635576153.db2.gz DQLYEFKFSZZFPE-XWLWVQCSSA-N 2 1 250.308 2.387 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@H]2C2CCOCC2)CCC[NH2+]C1 ZINC000904345851 635581532 /nfs/dbraw/zinc/58/15/32/635581532.db2.gz KCAPSODZNNGRPE-JKSUJKDBSA-N 2 1 266.429 2.267 20 0 CEADMP c1cn(C2CC2)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000904350063 635583808 /nfs/dbraw/zinc/58/38/08/635583808.db2.gz GTMOUCLEODCJEA-KBPBESRZSA-N 2 1 274.412 2.040 20 0 CEADMP c1cc2c(cc1C[N@@H+]1CC[C@@H]3[NH2+]CC[C@H]3C1)CCCO2 ZINC000904351094 635585337 /nfs/dbraw/zinc/58/53/37/635585337.db2.gz UWFDUVUFVGBDAA-HOTGVXAUSA-N 2 1 272.392 2.195 20 0 CEADMP c1cc2c(cc1C[N@H+]1CC[C@@H]3[NH2+]CC[C@H]3C1)CCCO2 ZINC000904351094 635585342 /nfs/dbraw/zinc/58/53/42/635585342.db2.gz UWFDUVUFVGBDAA-HOTGVXAUSA-N 2 1 272.392 2.195 20 0 CEADMP [NH3+]Cc1ccc(CN[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000904353802 635585601 /nfs/dbraw/zinc/58/56/01/635585601.db2.gz RMINKDVESAGXDG-INIZCTEOSA-N 2 1 261.413 2.143 20 0 CEADMP [NH3+]Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000904353802 635585606 /nfs/dbraw/zinc/58/56/06/635585606.db2.gz RMINKDVESAGXDG-INIZCTEOSA-N 3 1 261.413 2.143 20 0 CEADMP [NH3+]C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000904355748 635587807 /nfs/dbraw/zinc/58/78/07/635587807.db2.gz RJAUDNJKVGPINB-OAUYIBNBSA-N 2 1 269.392 2.167 20 0 CEADMP CC(C)(C)CC[C@H](N)C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000904355606 635588142 /nfs/dbraw/zinc/58/81/42/635588142.db2.gz URPIDWFBRUOMOY-KBPBESRZSA-N 2 1 255.450 2.262 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C[C@H]1C[NH3+] ZINC000904371552 635593998 /nfs/dbraw/zinc/59/39/98/635593998.db2.gz QIFBIWVZJABVNZ-CZUORRHYSA-N 2 1 274.408 2.428 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CCC[NH2+]C1 ZINC000904371351 635594238 /nfs/dbraw/zinc/59/42/38/635594238.db2.gz NGLYKSJIMUPVHL-GVDBMIGSSA-N 2 1 280.456 2.249 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(C[NH3+])cc1)CC[NH2+]CC2 ZINC000904374557 635595339 /nfs/dbraw/zinc/59/53/39/635595339.db2.gz UDGCZESODKNBBT-CQSZACIVSA-N 3 1 273.424 2.109 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000904389187 635598062 /nfs/dbraw/zinc/59/80/62/635598062.db2.gz STWYOTQFNDGAJZ-KXUCPTDWSA-N 2 1 266.282 2.090 20 0 CEADMP C[C@]1(CN2CCC([C@H]3CCC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000904377510 635603498 /nfs/dbraw/zinc/60/34/98/635603498.db2.gz RLYHGTGFWORUNV-IRXDYDNUSA-N 2 1 279.472 2.088 20 0 CEADMP Nc1ccc2c(c1)OCC[N@H+](Cc1ccc(C[NH3+])cc1)C2 ZINC000904383660 635605830 /nfs/dbraw/zinc/60/58/30/635605830.db2.gz BTVHKXISPSLEAW-UHFFFAOYSA-N 2 1 283.375 2.122 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@@H]1C[NH3+] ZINC000904411202 635619374 /nfs/dbraw/zinc/61/93/74/635619374.db2.gz JQIHLKVXTRMDFX-UKRRQHHQSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc3c(s2)CCC3)CC[C@@H]1C[NH3+] ZINC000904412814 635620444 /nfs/dbraw/zinc/62/04/44/635620444.db2.gz ZOGLMYXSSMECEL-GHMZBOCLSA-N 2 1 265.426 2.049 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416072 635621058 /nfs/dbraw/zinc/62/10/58/635621058.db2.gz GEPWJTOPTDXVLY-DOTOQJQBSA-N 2 1 281.488 2.462 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@H](Cc3nccs3)C2)CCC[NH2+]C1 ZINC000904470443 635647537 /nfs/dbraw/zinc/64/75/37/635647537.db2.gz WZHXEMWOEMETFH-UKRRQHHQSA-N 2 1 279.453 2.397 20 0 CEADMP C[C@]12CSC[C@H]1C[N@@H+](C[C@]1(C)CCC[NH2+]C1)C2 ZINC000904473776 635648341 /nfs/dbraw/zinc/64/83/41/635648341.db2.gz CTDNQNHXTZJVCE-MCIONIFRSA-N 2 1 254.443 2.061 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@](C)(O)C(F)F)C1 ZINC000905047989 635787287 /nfs/dbraw/zinc/78/72/87/635787287.db2.gz WFVXRUVJOQVTCW-GUTXKFCHSA-N 2 1 292.414 2.350 20 0 CEADMP C[NH+](C)CCCCC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826718729 635828753 /nfs/dbraw/zinc/82/87/53/635828753.db2.gz ZYZQHZLKGOXBPR-MRXNPFEDSA-N 2 1 289.423 2.021 20 0 CEADMP C[NH+](C)CCCCC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826718729 635828757 /nfs/dbraw/zinc/82/87/57/635828757.db2.gz ZYZQHZLKGOXBPR-MRXNPFEDSA-N 2 1 289.423 2.021 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000906517789 636765179 /nfs/dbraw/zinc/76/51/79/636765179.db2.gz RAMDWWNYXUSZPG-KYZUINATSA-N 2 1 262.250 2.424 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@@H+](C(C)C)CC2)C1 ZINC000906546351 636781945 /nfs/dbraw/zinc/78/19/45/636781945.db2.gz PSEABNLIENAAJR-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@H+](C(C)C)CC2)C1 ZINC000906546351 636781953 /nfs/dbraw/zinc/78/19/53/636781953.db2.gz PSEABNLIENAAJR-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000906713250 636827305 /nfs/dbraw/zinc/82/73/05/636827305.db2.gz YTPIECFVXCPDFC-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000830943813 637202500 /nfs/dbraw/zinc/20/25/00/637202500.db2.gz MFKSYUQEVVQPGJ-INIZCTEOSA-N 2 1 295.471 2.086 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000908250982 637274702 /nfs/dbraw/zinc/27/47/02/637274702.db2.gz SNEMGPDPWHOGAP-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000908250982 637274703 /nfs/dbraw/zinc/27/47/03/637274703.db2.gz SNEMGPDPWHOGAP-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000908250982 637274706 /nfs/dbraw/zinc/27/47/06/637274706.db2.gz SNEMGPDPWHOGAP-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000908259104 637276688 /nfs/dbraw/zinc/27/66/88/637276688.db2.gz SNEMGPDPWHOGAP-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000908259104 637276700 /nfs/dbraw/zinc/27/67/00/637276700.db2.gz SNEMGPDPWHOGAP-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000908259104 637276703 /nfs/dbraw/zinc/27/67/03/637276703.db2.gz SNEMGPDPWHOGAP-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000908306366 637296512 /nfs/dbraw/zinc/29/65/12/637296512.db2.gz NOWJVAWYVPGRCM-ARFHVFGLSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908306366 637296517 /nfs/dbraw/zinc/29/65/17/637296517.db2.gz NOWJVAWYVPGRCM-ARFHVFGLSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908306366 637296521 /nfs/dbraw/zinc/29/65/21/637296521.db2.gz NOWJVAWYVPGRCM-ARFHVFGLSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908502936 637386865 /nfs/dbraw/zinc/38/68/65/637386865.db2.gz UHANMMNKEXBOTJ-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[N@H+]1CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000831970341 637473504 /nfs/dbraw/zinc/47/35/04/637473504.db2.gz DNTPFSSUCPUZFJ-HOCLYGCPSA-N 2 1 289.423 2.067 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC3(C)CCCC3)CC2)C1 ZINC000876716362 650408897 /nfs/dbraw/zinc/40/88/97/650408897.db2.gz YXMWNHMGJRVVCW-MRXNPFEDSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000911682017 638354001 /nfs/dbraw/zinc/35/40/01/638354001.db2.gz FWANTDQTJPSOQQ-AWEZNQCLSA-N 2 1 298.390 2.112 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)c1csc([C@H](C)[NH3+])n1 ZINC000911683529 638355654 /nfs/dbraw/zinc/35/56/54/638355654.db2.gz ZERIJXRYSUBLHY-VIFPVBQESA-N 2 1 290.392 2.135 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC000837186019 639100682 /nfs/dbraw/zinc/10/06/82/639100682.db2.gz MEZKCWSROUGFBW-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CN1CCCC[C@@H]1C(=O)OCC[N@@H+](C)Cc1ccccc1 ZINC000837538696 639271960 /nfs/dbraw/zinc/27/19/60/639271960.db2.gz QKIIBNYVOCLLLS-MRXNPFEDSA-N 2 1 290.407 2.146 20 0 CEADMP C[N@@H+](CCOC(=O)[C@H]1CCCC[NH+]1C)Cc1ccccc1 ZINC000837538696 639271975 /nfs/dbraw/zinc/27/19/75/639271975.db2.gz QKIIBNYVOCLLLS-MRXNPFEDSA-N 2 1 290.407 2.146 20 0 CEADMP C[NH+](CCOC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000837538696 639271977 /nfs/dbraw/zinc/27/19/77/639271977.db2.gz QKIIBNYVOCLLLS-MRXNPFEDSA-N 2 1 290.407 2.146 20 0 CEADMP C[NH+](CCOC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000837538696 639271982 /nfs/dbraw/zinc/27/19/82/639271982.db2.gz QKIIBNYVOCLLLS-MRXNPFEDSA-N 2 1 290.407 2.146 20 0 CEADMP C[C@@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000164978782 639409302 /nfs/dbraw/zinc/40/93/02/639409302.db2.gz TZCLSYFEHLQYCF-QXSJWSMHSA-N 2 1 295.471 2.131 20 0 CEADMP CCC[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)OC ZINC000876950939 650501719 /nfs/dbraw/zinc/50/17/19/650501719.db2.gz BIVBDELJFZXDNE-OAHLLOKOSA-N 2 1 288.395 2.480 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CCc2cccnc21)C[NH+]1CCCC1 ZINC000226820005 639565224 /nfs/dbraw/zinc/56/52/24/639565224.db2.gz OVEZYKBRUHEINJ-DZGCQCFKSA-N 2 1 259.397 2.390 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841031455 639623851 /nfs/dbraw/zinc/62/38/51/639623851.db2.gz SFIFMRJDNRORMA-CQSZACIVSA-N 2 1 262.397 2.473 20 0 CEADMP C([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)[C@H]1CCCC[NH2+]1 ZINC000841033576 639624804 /nfs/dbraw/zinc/62/48/04/639624804.db2.gz WAUPDJDYOICWOZ-LPWJVIDDSA-N 2 1 272.483 2.098 20 0 CEADMP [NH3+]CCc1ccc(CNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000841033644 639625074 /nfs/dbraw/zinc/62/50/74/639625074.db2.gz QPBCGQFXSGEPAB-UHFFFAOYSA-N 2 1 287.451 2.152 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@H](C)C1 ZINC000841032745 639625467 /nfs/dbraw/zinc/62/54/67/639625467.db2.gz GEFFDOQXEDHUAL-PBHICJAKSA-N 3 1 275.440 2.008 20 0 CEADMP CCN1CC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@H](C)C1 ZINC000841032745 639625469 /nfs/dbraw/zinc/62/54/69/639625469.db2.gz GEFFDOQXEDHUAL-PBHICJAKSA-N 2 1 275.440 2.008 20 0 CEADMP CC[N@@H+]1CC[C@H](NCc2ccc(CC[NH3+])cc2)[C@H](C)C1 ZINC000841032745 639625471 /nfs/dbraw/zinc/62/54/71/639625471.db2.gz GEFFDOQXEDHUAL-PBHICJAKSA-N 2 1 275.440 2.008 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2ccc(CC[NH3+])cc2)[C@H](C)C1 ZINC000841032745 639625475 /nfs/dbraw/zinc/62/54/75/639625475.db2.gz GEFFDOQXEDHUAL-PBHICJAKSA-N 2 1 275.440 2.008 20 0 CEADMP Cc1cc(C[NH2+][C@@H](C)C[NH3+])cc(C)c1OC(F)F ZINC000841063555 639639811 /nfs/dbraw/zinc/63/98/11/639639811.db2.gz NBUPVYXBGCMFHU-JTQLQIEISA-N 2 1 258.312 2.342 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)C1CCCC1 ZINC000841086107 639651780 /nfs/dbraw/zinc/65/17/80/639651780.db2.gz CUDNHCTZPMHCNB-RFGFWPKPSA-N 2 1 286.510 2.473 20 0 CEADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229085177 639675442 /nfs/dbraw/zinc/67/54/42/639675442.db2.gz REOKVSRRUOMHND-HIFRSBDPSA-N 2 1 262.397 2.420 20 0 CEADMP Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000229622296 639711953 /nfs/dbraw/zinc/71/19/53/639711953.db2.gz RBLAKTJYAFKPNR-CHWSQXEVSA-N 2 1 264.344 2.248 20 0 CEADMP Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000229622296 639711961 /nfs/dbraw/zinc/71/19/61/639711961.db2.gz RBLAKTJYAFKPNR-CHWSQXEVSA-N 2 1 264.344 2.248 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000842471911 640071171 /nfs/dbraw/zinc/07/11/71/640071171.db2.gz GLWQPZXSBYEAGJ-AWEZNQCLSA-N 2 1 264.417 2.498 20 0 CEADMP [NH3+]CCCCCCC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000842471911 640071176 /nfs/dbraw/zinc/07/11/76/640071176.db2.gz GLWQPZXSBYEAGJ-AWEZNQCLSA-N 2 1 264.417 2.498 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000842471911 640071182 /nfs/dbraw/zinc/07/11/82/640071182.db2.gz GLWQPZXSBYEAGJ-AWEZNQCLSA-N 2 1 264.417 2.498 20 0 CEADMP OCCCCCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000842474164 640074079 /nfs/dbraw/zinc/07/40/79/640074079.db2.gz HLRUZGIOCMBZDJ-CABCVRRESA-N 2 1 254.418 2.003 20 0 CEADMP CCN1C[C@H](C)[N@@H+](CCCCCCC[NH3+])C[C@@H]1C ZINC000842476220 640075732 /nfs/dbraw/zinc/07/57/32/640075732.db2.gz JMJXCDOKALQXQK-GJZGRUSLSA-N 2 1 255.450 2.310 20 0 CEADMP CC[N@@H+]1C[C@H](C)N(CCCCCCC[NH3+])C[C@@H]1C ZINC000842476220 640075738 /nfs/dbraw/zinc/07/57/38/640075738.db2.gz JMJXCDOKALQXQK-GJZGRUSLSA-N 2 1 255.450 2.310 20 0 CEADMP CC[N@H+]1C[C@H](C)N(CCCCCCC[NH3+])C[C@@H]1C ZINC000842476220 640075739 /nfs/dbraw/zinc/07/57/39/640075739.db2.gz JMJXCDOKALQXQK-GJZGRUSLSA-N 2 1 255.450 2.310 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000929781349 640190182 /nfs/dbraw/zinc/19/01/82/640190182.db2.gz VVBBPGWHQWXISQ-GOEBONIOSA-N 2 1 296.455 2.382 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000929781349 640190184 /nfs/dbraw/zinc/19/01/84/640190184.db2.gz VVBBPGWHQWXISQ-GOEBONIOSA-N 2 1 296.455 2.382 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@@H]21 ZINC000843059179 640261351 /nfs/dbraw/zinc/26/13/51/640261351.db2.gz FLSOLRLSYYTTCG-RRQGHBQHSA-N 2 1 272.392 2.276 20 0 CEADMP Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843127958 640294597 /nfs/dbraw/zinc/29/45/97/640294597.db2.gz USSRLBFZMVGKOE-CHWSQXEVSA-N 2 1 296.846 2.285 20 0 CEADMP Cn1c(Cl)cnc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843127958 640294604 /nfs/dbraw/zinc/29/46/04/640294604.db2.gz USSRLBFZMVGKOE-CHWSQXEVSA-N 2 1 296.846 2.285 20 0 CEADMP CCCCOC(=O)[C@@H](C)[NH+]1CCC(C[NH2+]CC)CC1 ZINC000843353361 640400628 /nfs/dbraw/zinc/40/06/28/640400628.db2.gz YUQGOIBCNVYEQB-CYBMUJFWSA-N 2 1 270.417 2.040 20 0 CEADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000843358192 640402643 /nfs/dbraw/zinc/40/26/43/640402643.db2.gz AXWGPXUJFAEJGV-JKSUJKDBSA-N 2 1 262.397 2.184 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843363300 640405811 /nfs/dbraw/zinc/40/58/11/640405811.db2.gz VSFPTFCNBUPJAF-HOTGVXAUSA-N 3 1 267.461 2.360 20 0 CEADMP Cc1ccc2c(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc(=O)oc2c1C ZINC000843378264 640411033 /nfs/dbraw/zinc/41/10/33/640411033.db2.gz YJULBNDCMBQZNN-GASCZTMLSA-N 2 1 298.386 2.061 20 0 CEADMP Cc1ccc2c(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc(=O)oc2c1C ZINC000843378264 640411038 /nfs/dbraw/zinc/41/10/38/640411038.db2.gz YJULBNDCMBQZNN-GASCZTMLSA-N 2 1 298.386 2.061 20 0 CEADMP COC[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C(C)C ZINC000929849306 640470171 /nfs/dbraw/zinc/47/01/71/640470171.db2.gz XEONQTLMCHTUOO-OWCLPIDISA-N 2 1 268.445 2.321 20 0 CEADMP COC[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C(C)C ZINC000929849306 640470174 /nfs/dbraw/zinc/47/01/74/640470174.db2.gz XEONQTLMCHTUOO-OWCLPIDISA-N 2 1 268.445 2.321 20 0 CEADMP COC[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C(C)C ZINC000929849306 640470182 /nfs/dbraw/zinc/47/01/82/640470182.db2.gz XEONQTLMCHTUOO-OWCLPIDISA-N 2 1 268.445 2.321 20 0 CEADMP C[C@@H](CNC(=O)c1cccc(C[NH3+])c1)[N@H+]1CCCC[C@@H]1C ZINC000844171465 640623247 /nfs/dbraw/zinc/62/32/47/640623247.db2.gz JAADYJPOUQVREL-KBPBESRZSA-N 2 1 289.423 2.138 20 0 CEADMP CCCC[N@@H+](C)CCN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925479665 641141289 /nfs/dbraw/zinc/14/12/89/641141289.db2.gz COMQXDIEPVBNFF-ZBFHGGJFSA-N 2 1 263.429 2.396 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@](C)(O)c1ccccc1 ZINC000846190208 641217912 /nfs/dbraw/zinc/21/79/12/641217912.db2.gz TYAAXAZBQDSYCG-WTTBNOFXSA-N 2 1 276.424 2.355 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@](C)(O)c1ccccc1 ZINC000846190208 641217915 /nfs/dbraw/zinc/21/79/15/641217915.db2.gz TYAAXAZBQDSYCG-WTTBNOFXSA-N 2 1 276.424 2.355 20 0 CEADMP CC[C@H]1C[N@@H+](CCCCCC[NH3+])[C@@H](CC)CN1C(C)=O ZINC000846219340 641226637 /nfs/dbraw/zinc/22/66/37/641226637.db2.gz OTTAAUJRQGZALV-HOTGVXAUSA-N 2 1 283.460 2.227 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCNCC12CCCCC2 ZINC000846220480 641229321 /nfs/dbraw/zinc/22/93/21/641229321.db2.gz QNVMQTUGKPBSES-UHFFFAOYSA-N 2 1 253.434 2.114 20 0 CEADMP [NH3+]CCCCCCN1CC[NH2+]CC12CCCCC2 ZINC000846220480 641229328 /nfs/dbraw/zinc/22/93/28/641229328.db2.gz QNVMQTUGKPBSES-UHFFFAOYSA-N 2 1 253.434 2.114 20 0 CEADMP COc1ccccc1[C@H]1CNCC[N@@H+]1CCCCCC[NH3+] ZINC000846220610 641229349 /nfs/dbraw/zinc/22/93/49/641229349.db2.gz RMBMSLCNRRVQCP-MRXNPFEDSA-N 2 1 291.439 2.161 20 0 CEADMP COc1ccccc1[C@H]1CNCC[N@H+]1CCCCCC[NH3+] ZINC000846220610 641229354 /nfs/dbraw/zinc/22/93/54/641229354.db2.gz RMBMSLCNRRVQCP-MRXNPFEDSA-N 2 1 291.439 2.161 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCC[NH3+])C[C@H]1C ZINC000846220885 641229573 /nfs/dbraw/zinc/22/95/73/641229573.db2.gz XCBKUNIYHZWLBI-HUUCEWRRSA-N 3 1 255.450 2.310 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCC[NH3+])C[C@H]1C ZINC000846220885 641229584 /nfs/dbraw/zinc/22/95/84/641229584.db2.gz XCBKUNIYHZWLBI-HUUCEWRRSA-N 2 1 255.450 2.310 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCC[NH3+])C[C@H]1C ZINC000846220885 641229589 /nfs/dbraw/zinc/22/95/89/641229589.db2.gz XCBKUNIYHZWLBI-HUUCEWRRSA-N 2 1 255.450 2.310 20 0 CEADMP CCN1CC[C@@H]([N@H+](C)CCCCCC[NH3+])C[C@H]1C ZINC000846220885 641229597 /nfs/dbraw/zinc/22/95/97/641229597.db2.gz XCBKUNIYHZWLBI-HUUCEWRRSA-N 2 1 255.450 2.310 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CCCCCC[NH3+])C[C@H]1C ZINC000846220885 641229605 /nfs/dbraw/zinc/22/96/05/641229605.db2.gz XCBKUNIYHZWLBI-HUUCEWRRSA-N 2 1 255.450 2.310 20 0 CEADMP NC[C@@H]1c2ccccc2CC[N@H+]1CCCCCC[NH3+] ZINC000846224502 641232797 /nfs/dbraw/zinc/23/27/97/641232797.db2.gz YSBLAGCRLXPLRW-MRXNPFEDSA-N 2 1 261.413 2.064 20 0 CEADMP NC[C@@H]1c2ccccc2CC[N@@H+]1CCCCCC[NH3+] ZINC000846224502 641232803 /nfs/dbraw/zinc/23/28/03/641232803.db2.gz YSBLAGCRLXPLRW-MRXNPFEDSA-N 2 1 261.413 2.064 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000252551128 641579760 /nfs/dbraw/zinc/57/97/60/641579760.db2.gz PKCZRYMVHKEYQN-FXUDXRNXSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000252551128 641579762 /nfs/dbraw/zinc/57/97/62/641579762.db2.gz PKCZRYMVHKEYQN-FXUDXRNXSA-N 2 1 266.429 2.408 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000070148653 641637090 /nfs/dbraw/zinc/63/70/90/641637090.db2.gz VGUDYHJTCXPVNH-OAHLLOKOSA-N 2 1 260.381 2.325 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc[nH]1 ZINC000848536038 642040406 /nfs/dbraw/zinc/04/04/06/642040406.db2.gz JLTACNPTAUNUKA-ZFWWWQNUSA-N 2 1 277.412 2.309 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC1(F)F ZINC000848552996 642049571 /nfs/dbraw/zinc/04/95/71/642049571.db2.gz HFGNLKXEWZVYDL-IACUBPJLSA-N 2 1 288.382 2.263 20 0 CEADMP [NH2+]=C(NCCC[N@H+]1CCc2ccccc2C1)NC1CCC1 ZINC000848988036 642210382 /nfs/dbraw/zinc/21/03/82/642210382.db2.gz ALGHCTRJRUFQRT-UHFFFAOYSA-N 2 1 286.423 2.101 20 0 CEADMP Cc1ccc(CNC(=[NH2+])NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000848987777 642210451 /nfs/dbraw/zinc/21/04/51/642210451.db2.gz ZSAXUBIKVMZARZ-OAHLLOKOSA-N 2 1 288.439 2.341 20 0 CEADMP C[C@H]1C[C@H](CCNC(=[NH2+])N(C)C)C[N@H+]1Cc1ccccc1 ZINC000848990093 642210984 /nfs/dbraw/zinc/21/09/84/642210984.db2.gz YKKOOXHFXLCPSY-HOCLYGCPSA-N 2 1 288.439 2.373 20 0 CEADMP C[C@@H](CCNC(=[NH2+])N1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000849003242 642221371 /nfs/dbraw/zinc/22/13/71/642221371.db2.gz ZVHZCGWVFSOJHD-AWEZNQCLSA-N 2 1 274.412 2.127 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000849023859 642237638 /nfs/dbraw/zinc/23/76/38/642237638.db2.gz IKYHUOSGRGGPDZ-LBPRGKRZSA-N 2 1 275.400 2.138 20 0 CEADMP C[C@@H]1CCCN(C(=[NH2+])NCCCC[N@@H+](C)C2CC2)C1 ZINC000849039629 642250666 /nfs/dbraw/zinc/25/06/66/642250666.db2.gz KSCFBSWTZCJJBS-CYBMUJFWSA-N 2 1 266.433 2.117 20 0 CEADMP CS[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000921584958 642251021 /nfs/dbraw/zinc/25/10/21/642251021.db2.gz BGYRLANOEIDYPT-HIFRSBDPSA-N 2 1 286.485 2.097 20 0 CEADMP CC(C)[NH2+]C1CC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998901611 642448169 /nfs/dbraw/zinc/44/81/69/642448169.db2.gz PHBPVPUKLDBVPB-HWOWSKLDSA-N 2 1 295.471 2.237 20 0 CEADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999351160 642482078 /nfs/dbraw/zinc/48/20/78/642482078.db2.gz DCTMJHIQWANKLH-HOTGVXAUSA-N 2 1 295.471 2.238 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(=O)[nH]c2)cc1 ZINC000877524651 650766272 /nfs/dbraw/zinc/76/62/72/650766272.db2.gz AJSMUHNXNSSHFN-UHFFFAOYSA-N 2 1 285.391 2.481 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC1SCCS1 ZINC000850407027 642702572 /nfs/dbraw/zinc/70/25/72/642702572.db2.gz GNZNPTJHTASEJN-UHFFFAOYSA-N 2 1 283.466 2.433 20 0 CEADMP CON(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000850480177 642726466 /nfs/dbraw/zinc/72/64/66/642726466.db2.gz MCPNIBBOFBSEJX-RDJZCZTQSA-N 2 1 291.439 2.122 20 0 CEADMP CON(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000850480177 642726468 /nfs/dbraw/zinc/72/64/68/642726468.db2.gz MCPNIBBOFBSEJX-RDJZCZTQSA-N 2 1 291.439 2.122 20 0 CEADMP COC1CC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000850483098 642729108 /nfs/dbraw/zinc/72/91/08/642729108.db2.gz WVJPQZJJJHLJLO-QRFUTXMCSA-N 2 1 252.402 2.016 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)c3ccccc32)[C@@H](C)C1 ZINC000850528313 642742093 /nfs/dbraw/zinc/74/20/93/642742093.db2.gz GXKSQYCQRQGWQH-SJWGOKEGSA-N 2 1 274.408 2.485 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)c3ccccc32)[C@@H](C)C1 ZINC000850528313 642742096 /nfs/dbraw/zinc/74/20/96/642742096.db2.gz GXKSQYCQRQGWQH-SJWGOKEGSA-N 2 1 274.408 2.485 20 0 CEADMP CCc1[nH]nc(Cl)c1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000922023287 642844477 /nfs/dbraw/zinc/84/44/77/642844477.db2.gz BTPDPAXMPTVMEH-JTQLQIEISA-N 2 1 293.802 2.174 20 0 CEADMP CCc1[nH]nc(Cl)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000922181709 642940198 /nfs/dbraw/zinc/94/01/98/642940198.db2.gz XRDFYEQUVYOXPH-NSHDSACASA-N 2 1 284.835 2.447 20 0 CEADMP CS[C@H]1CCC[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000922214907 642960806 /nfs/dbraw/zinc/96/08/06/642960806.db2.gz WAGJKHACVXREMY-KGLIPLIRSA-N 2 1 286.485 2.097 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(OC)cc1C ZINC000922222425 642966159 /nfs/dbraw/zinc/96/61/59/642966159.db2.gz PTKSUOZURZJPOU-INIZCTEOSA-N 2 1 294.439 2.186 20 0 CEADMP Cc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)o1 ZINC000922385773 643057177 /nfs/dbraw/zinc/05/71/77/643057177.db2.gz DBPCZEBQWUSIDF-VQHPVUNQSA-N 2 1 292.423 2.157 20 0 CEADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(C)C)C2)[C@@H]1C(C)C ZINC000922391299 643058430 /nfs/dbraw/zinc/05/84/30/643058430.db2.gz BIIVMCIKOGPOSZ-LVQVYYBASA-N 2 1 268.445 2.102 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H](CO)CCc1ccccc1 ZINC000922544050 643118177 /nfs/dbraw/zinc/11/81/77/643118177.db2.gz LOJVNRNXMLZCAH-KRWDZBQOSA-N 2 1 299.418 2.231 20 0 CEADMP C[NH+](CC[C@@H]1COC(C)(C)O1)CC[C@H]1CCCC[N@@H+]1C ZINC000851787142 643162208 /nfs/dbraw/zinc/16/22/08/643162208.db2.gz PBHAFWXSUDTQQD-HUUCEWRRSA-N 2 1 284.444 2.334 20 0 CEADMP C[NH+](CC[C@@H]1COC(C)(C)O1)CC[C@H]1CCCC[N@H+]1C ZINC000851787142 643162212 /nfs/dbraw/zinc/16/22/12/643162212.db2.gz PBHAFWXSUDTQQD-HUUCEWRRSA-N 2 1 284.444 2.334 20 0 CEADMP CO[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000851795606 643167486 /nfs/dbraw/zinc/16/74/86/643167486.db2.gz GJWVCYJWGFSCMD-ARFHVFGLSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@@H]1CC[C@@H]([NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000851795606 643167488 /nfs/dbraw/zinc/16/74/88/643167488.db2.gz GJWVCYJWGFSCMD-ARFHVFGLSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@@H]1CC[C@@H]([NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000851795606 643167490 /nfs/dbraw/zinc/16/74/90/643167490.db2.gz GJWVCYJWGFSCMD-ARFHVFGLSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](C)CC[C@@H](NCc1c[nH+]c2n1CCC2)c1cccnc1 ZINC000922634052 643172449 /nfs/dbraw/zinc/17/24/49/643172449.db2.gz WNFCYUYLTABJEA-MRXNPFEDSA-N 2 1 299.422 2.007 20 0 CEADMP CCO[C@@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)C[NH+](C)C ZINC000922753301 643243394 /nfs/dbraw/zinc/24/33/94/643243394.db2.gz NYUVDYDCLMUXHZ-HOTGVXAUSA-N 2 1 298.471 2.425 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)C[NH+](C)C ZINC000922753859 643244833 /nfs/dbraw/zinc/24/48/33/643244833.db2.gz RUPDUZLCIHJJEM-CABCVRRESA-N 2 1 284.444 2.035 20 0 CEADMP CCO[C@H](C[NH2+]C/C=C/c1ccccc1OC)CN(C)C ZINC000922756064 643246414 /nfs/dbraw/zinc/24/64/14/643246414.db2.gz DSEYGVGWHAENEU-XAVKZTDYSA-N 2 1 292.423 2.265 20 0 CEADMP CCO[C@@H](C[NH2+]C[C@H](C)c1ccc(F)cc1)C[NH+](C)C ZINC000922758034 643247790 /nfs/dbraw/zinc/24/77/90/643247790.db2.gz OUIMBKAQBWYXDQ-BBRMVZONSA-N 2 1 282.403 2.486 20 0 CEADMP CCCCOC(=O)CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852108486 643312079 /nfs/dbraw/zinc/31/20/79/643312079.db2.gz FYKXHZPPKYPHJP-INIZCTEOSA-N 2 1 282.428 2.138 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852108486 643312086 /nfs/dbraw/zinc/31/20/86/643312086.db2.gz FYKXHZPPKYPHJP-INIZCTEOSA-N 2 1 282.428 2.138 20 0 CEADMP CCCCOC(=O)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000852108486 643312091 /nfs/dbraw/zinc/31/20/91/643312091.db2.gz FYKXHZPPKYPHJP-INIZCTEOSA-N 2 1 282.428 2.138 20 0 CEADMP CCCCOC(=O)CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000852108486 643312095 /nfs/dbraw/zinc/31/20/95/643312095.db2.gz FYKXHZPPKYPHJP-INIZCTEOSA-N 2 1 282.428 2.138 20 0 CEADMP COC[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000922946561 643472272 /nfs/dbraw/zinc/47/22/72/643472272.db2.gz KWHYQSOYMYJEHN-KGLIPLIRSA-N 2 1 256.434 2.367 20 0 CEADMP CCC(CC)CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669516 650842676 /nfs/dbraw/zinc/84/26/76/650842676.db2.gz MWAJPDRHPMAQSY-HZPDHXFCSA-N 2 1 269.477 2.094 20 0 CEADMP Cc1ccc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000852762179 643542480 /nfs/dbraw/zinc/54/24/80/643542480.db2.gz IKIZXXJBDNXJPG-INIZCTEOSA-N 2 1 273.424 2.035 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC1SCCS1 ZINC000853022984 643624609 /nfs/dbraw/zinc/62/46/09/643624609.db2.gz JIWRAGNFWMIOPP-LLVKDONJSA-N 2 1 260.472 2.386 20 0 CEADMP C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923280772 643636891 /nfs/dbraw/zinc/63/68/91/643636891.db2.gz ICXDDSUHRFTLHA-GOOCMWNKSA-N 3 1 277.456 2.124 20 0 CEADMP C(C[N@H+](C1CC1)C1CCNCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923280772 643636893 /nfs/dbraw/zinc/63/68/93/643636893.db2.gz ICXDDSUHRFTLHA-GOOCMWNKSA-N 2 1 277.456 2.124 20 0 CEADMP C(C[N@@H+](C1CC1)C1CCNCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923280772 643636896 /nfs/dbraw/zinc/63/68/96/643636896.db2.gz ICXDDSUHRFTLHA-GOOCMWNKSA-N 2 1 277.456 2.124 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000923282882 643638354 /nfs/dbraw/zinc/63/83/54/643638354.db2.gz YAVJIZRCKQEPPJ-ZWNOBZJWSA-N 2 1 288.313 2.019 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000923282882 643638362 /nfs/dbraw/zinc/63/83/62/643638362.db2.gz YAVJIZRCKQEPPJ-ZWNOBZJWSA-N 2 1 288.313 2.019 20 0 CEADMP C[N@@H+](CCC[NH3+])C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000923290142 643642986 /nfs/dbraw/zinc/64/29/86/643642986.db2.gz CYZXPUSRMYWZBY-KRWDZBQOSA-N 2 1 272.392 2.024 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301364 643649376 /nfs/dbraw/zinc/64/93/76/643649376.db2.gz GAQLEBYZPAZNIZ-UKRRQHHQSA-N 2 1 260.381 2.058 20 0 CEADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCCCCC1 ZINC000923302041 643650789 /nfs/dbraw/zinc/65/07/89/643650789.db2.gz PPIRPEOLEWANDW-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)[N@H+](Cc1ccccc1F)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303671 643652161 /nfs/dbraw/zinc/65/21/61/643652161.db2.gz PWJNRDCILYKBNY-HNNXBMFYSA-N 2 1 292.398 2.415 20 0 CEADMP CC[N@@H+](CCC[NH2+]C1CC1)C[C@H](O)c1ccc(C)cc1 ZINC000923314369 643653611 /nfs/dbraw/zinc/65/36/11/643653611.db2.gz UWKGQJZXDUCGRL-KRWDZBQOSA-N 2 1 276.424 2.492 20 0 CEADMP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923315121 643654494 /nfs/dbraw/zinc/65/44/94/643654494.db2.gz FSSFTDHEZSXNNX-RDJZCZTQSA-N 2 1 288.435 2.236 20 0 CEADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCCC3(C2)CCCCCC3)C1 ZINC000923317477 643656258 /nfs/dbraw/zinc/65/62/58/643656258.db2.gz SSBBHSNPJJYAGW-KKUMJFAQSA-N 2 1 266.429 2.273 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1)c1ccccc1 ZINC000923311953 643658968 /nfs/dbraw/zinc/65/89/68/643658968.db2.gz COMSDLKOLUGIBC-GOEBONIOSA-N 2 1 274.408 2.100 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](O)CC1CCCC1 ZINC000923330188 643661347 /nfs/dbraw/zinc/66/13/47/643661347.db2.gz ZKEURSKHQJCJLX-WTXIUTQJSA-N 2 1 266.429 2.272 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000923363536 643679912 /nfs/dbraw/zinc/67/99/12/643679912.db2.gz ZWMJDMAWNJLHLH-OLZOCXBDSA-N 2 1 263.385 2.059 20 0 CEADMP C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923365051 643681064 /nfs/dbraw/zinc/68/10/64/643681064.db2.gz RSBPKBOROMPJDF-BXEXHWSDSA-N 3 1 291.483 2.371 20 0 CEADMP Cc1cc(C)cc(C[N@@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923372550 643684361 /nfs/dbraw/zinc/68/43/61/643684361.db2.gz GWZNGEZTDKBWFS-MRXNPFEDSA-N 2 1 274.408 2.114 20 0 CEADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923384975 643689517 /nfs/dbraw/zinc/68/95/17/643689517.db2.gz RFQCGFCZTVIKCF-GJZGRUSLSA-N 2 1 266.429 2.266 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000923409818 643699712 /nfs/dbraw/zinc/69/97/12/643699712.db2.gz GCKYQKFPWACDHN-SJORKVTESA-N 2 1 276.424 2.183 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H](O)Cc2ccccc2)[C@@H]1C ZINC000923421881 643703184 /nfs/dbraw/zinc/70/31/84/643703184.db2.gz FNBPXMWQSMIRJD-SRABZTEZSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H](O)Cc2ccccc2)[C@@H]1C ZINC000923421881 643703188 /nfs/dbraw/zinc/70/31/88/643703188.db2.gz FNBPXMWQSMIRJD-SRABZTEZSA-N 2 1 276.424 2.038 20 0 CEADMP O[C@H](C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000923428301 643706958 /nfs/dbraw/zinc/70/69/58/643706958.db2.gz OIJIJFPMOMSESC-SJORKVTESA-N 2 1 274.408 2.186 20 0 CEADMP O[C@H](C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000923429182 643708267 /nfs/dbraw/zinc/70/82/67/643708267.db2.gz XFANHODHDIJMPB-SJORKVTESA-N 2 1 292.398 2.325 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487103 643729884 /nfs/dbraw/zinc/72/98/84/643729884.db2.gz WXPBFFNFFUFRAO-RBSFLKMASA-N 2 1 254.418 2.252 20 0 CEADMP COc1cccc(SCC[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000923481990 643731754 /nfs/dbraw/zinc/73/17/54/643731754.db2.gz VWMWKTDLSAZQRP-CYBMUJFWSA-N 2 1 280.437 2.458 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923495484 643733678 /nfs/dbraw/zinc/73/36/78/643733678.db2.gz WFZZVJOKAJHBLF-CJNGLKHVSA-N 2 1 262.397 2.250 20 0 CEADMP C[C@H]1C[N@@H+](CCN(C)c2ccccc2)CC[C@H]1C[NH3+] ZINC000923496542 643733968 /nfs/dbraw/zinc/73/39/68/643733968.db2.gz AOGSJBIJOXSLCR-GJZGRUSLSA-N 2 1 261.413 2.040 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@@H]1C[NH3+] ZINC000923496153 643733975 /nfs/dbraw/zinc/73/39/75/643733975.db2.gz HGSFNUWEZPFEBX-GDBMZVCRSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cncc(Cl)c2)CC[C@H]1C[NH3+] ZINC000923490383 643735228 /nfs/dbraw/zinc/73/52/28/643735228.db2.gz NFAIVNYQUKLTDE-PWSUYJOCSA-N 2 1 253.777 2.152 20 0 CEADMP CC(C)c1cnc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923500379 643741063 /nfs/dbraw/zinc/74/10/63/643741063.db2.gz OCFSCTQWWMYWTA-RYUDHWBXSA-N 2 1 251.374 2.215 20 0 CEADMP CO[C@H](C)c1nc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923499777 643741081 /nfs/dbraw/zinc/74/10/81/643741081.db2.gz MAGDLNOHZWACOL-QJPTWQEYSA-N 2 1 283.441 2.267 20 0 CEADMP CO[C@H](C)c1nc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923499777 643741086 /nfs/dbraw/zinc/74/10/86/643741086.db2.gz MAGDLNOHZWACOL-QJPTWQEYSA-N 2 1 283.441 2.267 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2F)CC[C@@H]1C[NH3+] ZINC000923501830 643742547 /nfs/dbraw/zinc/74/25/47/643742547.db2.gz WCRYFRBPJJPCAQ-GHMZBOCLSA-N 2 1 254.324 2.382 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923505063 643743449 /nfs/dbraw/zinc/74/34/49/643743449.db2.gz XFKYRPSHXPCKKU-LSDHHAIUSA-N 2 1 262.397 2.291 20 0 CEADMP CO[C@@H](C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C1CCCC1 ZINC000923534509 643751941 /nfs/dbraw/zinc/75/19/41/643751941.db2.gz UUZSBAZHFMWRKY-JKSUJKDBSA-N 2 1 266.429 2.410 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C1CCCC1 ZINC000923534509 643751945 /nfs/dbraw/zinc/75/19/45/643751945.db2.gz UUZSBAZHFMWRKY-JKSUJKDBSA-N 2 1 266.429 2.410 20 0 CEADMP OC[C@@H]1CCCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923532111 643752777 /nfs/dbraw/zinc/75/27/77/643752777.db2.gz ZCQMPCMUYXGPSR-UYTSQGDYSA-N 2 1 266.429 2.144 20 0 CEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923549044 643757393 /nfs/dbraw/zinc/75/73/93/643757393.db2.gz FCFYHUCVFQBUAI-HOCLYGCPSA-N 2 1 266.429 2.125 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000111564278 643897237 /nfs/dbraw/zinc/89/72/37/643897237.db2.gz VROHMZADDRGTGB-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000111564278 643897239 /nfs/dbraw/zinc/89/72/39/643897239.db2.gz VROHMZADDRGTGB-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000111564278 643897241 /nfs/dbraw/zinc/89/72/41/643897241.db2.gz VROHMZADDRGTGB-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccccc3F)CC[C@H]21 ZINC000877739790 650882653 /nfs/dbraw/zinc/88/26/53/650882653.db2.gz HGTRZWHKLILSBB-GDBMZVCRSA-N 2 1 262.372 2.394 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccccc3F)CC[C@H]21 ZINC000877739790 650882655 /nfs/dbraw/zinc/88/26/55/650882655.db2.gz HGTRZWHKLILSBB-GDBMZVCRSA-N 2 1 262.372 2.394 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccccc3F)CC[C@H]21 ZINC000877739790 650882657 /nfs/dbraw/zinc/88/26/57/650882657.db2.gz HGTRZWHKLILSBB-GDBMZVCRSA-N 2 1 262.372 2.394 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccccc3F)CC[C@H]21 ZINC000877739790 650882659 /nfs/dbraw/zinc/88/26/59/650882659.db2.gz HGTRZWHKLILSBB-GDBMZVCRSA-N 2 1 262.372 2.394 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877741296 650884650 /nfs/dbraw/zinc/88/46/50/650884650.db2.gz AKVGCAPFTBTUGI-HOCLYGCPSA-N 2 1 260.381 2.221 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877741296 650884654 /nfs/dbraw/zinc/88/46/54/650884654.db2.gz AKVGCAPFTBTUGI-HOCLYGCPSA-N 2 1 260.381 2.221 20 0 CEADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877741296 650884657 /nfs/dbraw/zinc/88/46/57/650884657.db2.gz AKVGCAPFTBTUGI-HOCLYGCPSA-N 2 1 260.381 2.221 20 0 CEADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877741296 650884660 /nfs/dbraw/zinc/88/46/60/650884660.db2.gz AKVGCAPFTBTUGI-HOCLYGCPSA-N 2 1 260.381 2.221 20 0 CEADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877742045 650885968 /nfs/dbraw/zinc/88/59/68/650885968.db2.gz OCCPYMAWMRIOBS-KSZLIROESA-N 2 1 288.435 2.270 20 0 CEADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877742045 650885969 /nfs/dbraw/zinc/88/59/69/650885969.db2.gz OCCPYMAWMRIOBS-KSZLIROESA-N 2 1 288.435 2.270 20 0 CEADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877742045 650885970 /nfs/dbraw/zinc/88/59/70/650885970.db2.gz OCCPYMAWMRIOBS-KSZLIROESA-N 2 1 288.435 2.270 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000839181417 644181228 /nfs/dbraw/zinc/18/12/28/644181228.db2.gz ICRQZBKUMUOGJG-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP CC(C)C[N@H+](Cc1ccn(C)n1)CC1CC[NH+](C)CC1 ZINC000877767617 650903332 /nfs/dbraw/zinc/90/33/32/650903332.db2.gz PTNVNFHJYORRAA-UHFFFAOYSA-N 2 1 278.444 2.220 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CCCN[C@H]1C)N1CCc2ccccc21 ZINC000925489860 644597182 /nfs/dbraw/zinc/59/71/82/644597182.db2.gz FXUVJWLFGZMFLF-DZKIICNBSA-N 2 1 273.424 2.168 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)N1CCc2ccccc21 ZINC000925489860 644597184 /nfs/dbraw/zinc/59/71/84/644597184.db2.gz FXUVJWLFGZMFLF-DZKIICNBSA-N 2 1 273.424 2.168 20 0 CEADMP COC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000858128692 645070060 /nfs/dbraw/zinc/07/00/60/645070060.db2.gz YVBDENDIAVJPHT-JXQTWKCFSA-N 2 1 282.428 2.181 20 0 CEADMP C[C@@H](CNc1cc[nH+]c(CO)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000858350365 645128269 /nfs/dbraw/zinc/12/82/69/645128269.db2.gz TZUZNFNQOCGDNG-OLZOCXBDSA-N 2 1 263.385 2.106 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000858490065 645180120 /nfs/dbraw/zinc/18/01/20/645180120.db2.gz AEUDTZMKKHSWJJ-HUUCEWRRSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC[NH+]2CCCC2)C1 ZINC000760854642 645201715 /nfs/dbraw/zinc/20/17/15/645201715.db2.gz BMPGFUUOTWBYCP-BBWFWOEESA-N 2 1 279.472 2.419 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2C[C@H]3CCC[C@H]3O2)CC[N@@H+]1C ZINC000878163574 651019889 /nfs/dbraw/zinc/01/98/89/651019889.db2.gz USJOJODHYWZSGQ-DGXTUMSLSA-N 2 1 266.429 2.359 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2C[C@H]3CCC[C@H]3O2)CC[N@H+]1C ZINC000878163574 651019892 /nfs/dbraw/zinc/01/98/92/651019892.db2.gz USJOJODHYWZSGQ-DGXTUMSLSA-N 2 1 266.429 2.359 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2C[C@H]3CCC[C@H]3O2)CC[NH+]1C ZINC000878163574 651019894 /nfs/dbraw/zinc/01/98/94/651019894.db2.gz USJOJODHYWZSGQ-DGXTUMSLSA-N 2 1 266.429 2.359 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2C[C@H]3CCC[C@H]3O2)CC[NH+]1C ZINC000878163574 651019895 /nfs/dbraw/zinc/01/98/95/651019895.db2.gz USJOJODHYWZSGQ-DGXTUMSLSA-N 2 1 266.429 2.359 20 0 CEADMP CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000767881007 646050863 /nfs/dbraw/zinc/05/08/63/646050863.db2.gz FBQFDHBKACDOSZ-ROUUACIJSA-N 2 1 288.435 2.280 20 0 CEADMP CC[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000767881007 646050867 /nfs/dbraw/zinc/05/08/67/646050867.db2.gz FBQFDHBKACDOSZ-ROUUACIJSA-N 2 1 288.435 2.280 20 0 CEADMP C[C@@H]1COCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000769457226 646270064 /nfs/dbraw/zinc/27/00/64/646270064.db2.gz RUUYDFBBLZJRHE-HNNXBMFYSA-N 2 1 292.423 2.095 20 0 CEADMP COc1cccc2cc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)oc21 ZINC000770395098 646386873 /nfs/dbraw/zinc/38/68/73/646386873.db2.gz OQYQYZGSDYKGPG-STQMWFEESA-N 2 1 272.348 2.093 20 0 CEADMP Cc1ncc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000773084393 646704901 /nfs/dbraw/zinc/70/49/01/646704901.db2.gz YWMHMWWKHFVTNO-PWSUYJOCSA-N 2 1 253.415 2.066 20 0 CEADMP CO[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(F)(F)F ZINC000774376419 646839870 /nfs/dbraw/zinc/83/98/70/646839870.db2.gz XUJWFKPEQXYXOQ-FGNRJIRKSA-N 2 1 280.334 2.169 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)C1CC1 ZINC000775379517 646946971 /nfs/dbraw/zinc/94/69/71/646946971.db2.gz SLPUMYQIEHKAIS-MQYQWHSLSA-N 2 1 286.510 2.296 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)C1CC1 ZINC000775379516 646947336 /nfs/dbraw/zinc/94/73/36/646947336.db2.gz SLPUMYQIEHKAIS-AAVRWANBSA-N 2 1 286.510 2.296 20 0 CEADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000864457366 647012699 /nfs/dbraw/zinc/01/26/99/647012699.db2.gz RUCGRWNOFYVHEE-UPJWGTAASA-N 2 1 266.433 2.019 20 0 CEADMP CC(C)OC1CC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000779166694 647293565 /nfs/dbraw/zinc/29/35/65/647293565.db2.gz TYTCVINYQQDQMZ-RYTJFDOTSA-N 2 1 298.471 2.421 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000779342073 647314553 /nfs/dbraw/zinc/31/45/53/647314553.db2.gz SNEXMPUSSSIVNS-GDBMZVCRSA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)[N@@H+](C)CCNc1cc[nH+]cc1C(F)(F)F ZINC000865500743 647328319 /nfs/dbraw/zinc/32/83/19/647328319.db2.gz ZWSVNQMSCWVPJT-UHFFFAOYSA-N 2 1 261.291 2.274 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@H]2CCSC2)s1 ZINC000865651812 647407187 /nfs/dbraw/zinc/40/71/87/647407187.db2.gz GGZCTZKIYSKULC-NSHDSACASA-N 2 1 285.482 2.438 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)CC[C@H]2O)CC1(C)C ZINC000865699889 647430317 /nfs/dbraw/zinc/43/03/17/647430317.db2.gz LOIYFVPZDUVSQU-BFHYXJOUSA-N 2 1 268.445 2.388 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccnc(N(C)C)c2)C1 ZINC000782177410 647595634 /nfs/dbraw/zinc/59/56/34/647595634.db2.gz SCTKCNJTBSFXOI-INIZCTEOSA-N 2 1 290.455 2.311 20 0 CEADMP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000866228893 647682642 /nfs/dbraw/zinc/68/26/42/647682642.db2.gz LZKVDDJWWJLGBN-ZBFHGGJFSA-N 2 1 273.424 2.477 20 0 CEADMP C[C@@H]1CC[C@H]1[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000783216902 647695732 /nfs/dbraw/zinc/69/57/32/647695732.db2.gz VUXYSKVKEYFAFX-KFWWJZLASA-N 2 1 293.480 2.425 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1Cc1cccc2c1CCOC2 ZINC000866697670 647872599 /nfs/dbraw/zinc/87/25/99/647872599.db2.gz UZKVRBDUKCHYLT-UHFFFAOYSA-N 2 1 274.408 2.333 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1Cc1cccc2c1CCOC2 ZINC000866697670 647872601 /nfs/dbraw/zinc/87/26/01/647872601.db2.gz UZKVRBDUKCHYLT-UHFFFAOYSA-N 2 1 274.408 2.333 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000866705786 647876659 /nfs/dbraw/zinc/87/66/59/647876659.db2.gz BFNDFDYDFNKNNJ-INIZCTEOSA-N 3 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@]1(CN)CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000866705786 647876661 /nfs/dbraw/zinc/87/66/61/647876661.db2.gz BFNDFDYDFNKNNJ-INIZCTEOSA-N 2 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@]1(CN)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000866705786 647876664 /nfs/dbraw/zinc/87/66/64/647876664.db2.gz BFNDFDYDFNKNNJ-INIZCTEOSA-N 2 1 267.461 2.073 20 0 CEADMP Cc1nocc1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707481 647878521 /nfs/dbraw/zinc/87/85/21/647878521.db2.gz OYFHOOFADZKZMJ-AWEZNQCLSA-N 2 1 251.374 2.180 20 0 CEADMP C[NH+]1CCC(C[N@@H+](CCCO)CC(C)(C)C)CC1 ZINC000788482201 648192735 /nfs/dbraw/zinc/19/27/35/648192735.db2.gz JZHNTZOMUIMHKF-UHFFFAOYSA-N 2 1 256.434 2.059 20 0 CEADMP CCOC(=O)C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000792194659 648623282 /nfs/dbraw/zinc/62/32/82/648623282.db2.gz FJIWVQKJMLOBEO-CABCVRRESA-N 2 1 294.439 2.326 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)nn2C)C1 ZINC000793525561 648770104 /nfs/dbraw/zinc/77/01/04/648770104.db2.gz VZKJMNWQQFYJSE-KBPBESRZSA-N 2 1 264.417 2.111 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)nn2C)C1 ZINC000793525561 648770108 /nfs/dbraw/zinc/77/01/08/648770108.db2.gz VZKJMNWQQFYJSE-KBPBESRZSA-N 2 1 264.417 2.111 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870990916 648972304 /nfs/dbraw/zinc/97/23/04/648972304.db2.gz HHYCYTAPTGTTIN-WMLDXEAASA-N 2 1 295.471 2.084 20 0 CEADMP Cc1ccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000871784570 649184590 /nfs/dbraw/zinc/18/45/90/649184590.db2.gz HMAMFWUEWZNAQI-GOOCMWNKSA-N 2 1 288.395 2.261 20 0 CEADMP Cc1ccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000871784570 649184592 /nfs/dbraw/zinc/18/45/92/649184592.db2.gz HMAMFWUEWZNAQI-GOOCMWNKSA-N 2 1 288.395 2.261 20 0 CEADMP CCc1cnc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000871785962 649185389 /nfs/dbraw/zinc/18/53/89/649185389.db2.gz PIAOWEMTSKWHRF-YOGCLGLASA-N 2 1 292.383 2.108 20 0 CEADMP CCc1cnc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000871785962 649185391 /nfs/dbraw/zinc/18/53/91/649185391.db2.gz PIAOWEMTSKWHRF-YOGCLGLASA-N 2 1 292.383 2.108 20 0 CEADMP C([C@H]1CC2(CCC2)CO1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000872143571 649292837 /nfs/dbraw/zinc/29/28/37/649292837.db2.gz SWOVFEQPCNMBKD-GDBMZVCRSA-N 2 1 264.413 2.021 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C1CCCCC1 ZINC000872144980 649294946 /nfs/dbraw/zinc/29/49/46/649294946.db2.gz LJQGUWADIUPYFK-VGWMRTNUSA-N 2 1 266.429 2.441 20 0 CEADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)[nH]n1 ZINC000872146265 649296604 /nfs/dbraw/zinc/29/66/04/649296604.db2.gz JAXKGJJEALZNCI-ZIAGYGMSSA-N 2 1 276.428 2.322 20 0 CEADMP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000872146265 649296607 /nfs/dbraw/zinc/29/66/07/649296607.db2.gz JAXKGJJEALZNCI-ZIAGYGMSSA-N 2 1 276.428 2.322 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccncc2)C[C@H]1C(F)(F)F ZINC000872150642 649297736 /nfs/dbraw/zinc/29/77/36/649297736.db2.gz YIWWQKBOGARMOL-QWHCGFSZSA-N 2 1 287.329 2.083 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CC2(CCC2)CO1 ZINC000872156080 649299269 /nfs/dbraw/zinc/29/92/69/649299269.db2.gz DNMDAPGZWXTKJT-AWEZNQCLSA-N 2 1 254.418 2.397 20 0 CEADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157161 649299515 /nfs/dbraw/zinc/29/95/15/649299515.db2.gz NFLVANBGPCAWLU-IJEWVQPXSA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)NC(=O)C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157868 649300198 /nfs/dbraw/zinc/30/01/98/649300198.db2.gz SVAGEYXEDOGPPD-HOCLYGCPSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000872219377 649320047 /nfs/dbraw/zinc/32/00/47/649320047.db2.gz ZBABOYFERWQXQJ-JLSDUUJJSA-N 2 1 288.435 2.115 20 0 CEADMP CCCC[C@H](CN)[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211094 649591819 /nfs/dbraw/zinc/59/18/19/649591819.db2.gz VBFCXCKXDWBHCY-GFCCVEGCSA-N 2 1 267.442 2.001 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211094 649591824 /nfs/dbraw/zinc/59/18/24/649591824.db2.gz VBFCXCKXDWBHCY-GFCCVEGCSA-N 3 1 267.442 2.001 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3[C@H]4C[C@H]5CO[C@H]3[C@H]5C4)CC[NH2+]2)cc1 ZINC000873215965 649592923 /nfs/dbraw/zinc/59/29/23/649592923.db2.gz HOJUZCRXWWYPOD-DSEYRMEUSA-N 2 1 298.430 2.493 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)CC[NH2+]1 ZINC000873228273 649599136 /nfs/dbraw/zinc/59/91/36/649599136.db2.gz BTTHJZQTDDLRCR-XQHKEYJVSA-N 2 1 294.361 2.416 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1C(F)(F)F ZINC000873227774 649599402 /nfs/dbraw/zinc/59/94/02/649599402.db2.gz NHGDPGYLHIXAFI-VXGBXAGGSA-N 2 1 298.312 2.132 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1C(F)(F)F ZINC000873227774 649599404 /nfs/dbraw/zinc/59/94/04/649599404.db2.gz NHGDPGYLHIXAFI-VXGBXAGGSA-N 2 1 298.312 2.132 20 0 CEADMP CC(C)(C)NCC[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873231071 649602833 /nfs/dbraw/zinc/60/28/33/649602833.db2.gz GBKIJLRZAIOAPM-AWEZNQCLSA-N 2 1 267.461 2.277 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC(C)(C)C[NH2+]2)[C@H](C)C1 ZINC000873235302 649604237 /nfs/dbraw/zinc/60/42/37/649604237.db2.gz NLSVEKAKYNSQNH-ILXRZTDVSA-N 2 1 267.461 2.085 20 0 CEADMP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCCC[C@H]2N)CC1 ZINC000873248540 649608458 /nfs/dbraw/zinc/60/84/58/649608458.db2.gz GEDDUCSZHKRIIW-LVDPKSTMSA-N 2 1 267.461 2.499 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[C@@H](N)c2ccccc21)C1CC[NH2+]CC1 ZINC000873269835 649619647 /nfs/dbraw/zinc/61/96/47/649619647.db2.gz LMXKRBDGXZQXOW-HFBAOOFYSA-N 2 1 259.397 2.109 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(N)cc(F)c2)[C@H]2CCC[C@@H]21 ZINC000873289658 649628463 /nfs/dbraw/zinc/62/84/63/649628463.db2.gz WMKKPJNASAWVHX-PMPSAXMXSA-N 2 1 277.387 2.370 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020088823 649724133 /nfs/dbraw/zinc/72/41/33/649724133.db2.gz JFQAMPUYOFDPMM-ZDUSSCGKSA-N 2 1 278.444 2.391 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000020088823 649724136 /nfs/dbraw/zinc/72/41/36/649724136.db2.gz JFQAMPUYOFDPMM-ZDUSSCGKSA-N 2 1 278.444 2.391 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000878511023 651117161 /nfs/dbraw/zinc/11/71/61/651117161.db2.gz HBEZGWHOLMWJHR-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H]3CCCC(C)(C)O3)C2)C1 ZINC000878646330 651150632 /nfs/dbraw/zinc/15/06/32/651150632.db2.gz ZKHVXWPXVWBQBS-ZBFHGGJFSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3CCCC(C)(C)O3)C2)C1 ZINC000878646330 651150634 /nfs/dbraw/zinc/15/06/34/651150634.db2.gz ZKHVXWPXVWBQBS-ZBFHGGJFSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CCCC(C)(C)O3)C2)C1 ZINC000878646330 651150639 /nfs/dbraw/zinc/15/06/39/651150639.db2.gz ZKHVXWPXVWBQBS-ZBFHGGJFSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)c3cccc(F)c3)C2)CC1 ZINC000878864558 651200270 /nfs/dbraw/zinc/20/02/70/651200270.db2.gz GLGLDYFPUNAKKC-INIZCTEOSA-N 2 1 292.398 2.277 20 0 CEADMP COCC[N@@H+](CCCOC(C)C)CC1CC[NH+](C)CC1 ZINC000879124799 651246868 /nfs/dbraw/zinc/24/68/68/651246868.db2.gz DINBLFPLKGGTKZ-UHFFFAOYSA-N 2 1 286.460 2.092 20 0 CEADMP COCC[N@@H+](CC1CCC1)CC1CC[NH+](C)CC1 ZINC000879125337 651247224 /nfs/dbraw/zinc/24/72/24/651247224.db2.gz ZEOQIJMTPLTHIT-UHFFFAOYSA-N 2 1 254.418 2.077 20 0 CEADMP Cc1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000879574276 651324471 /nfs/dbraw/zinc/32/44/71/651324471.db2.gz YXWQHJGBDDFTPH-GVDBMIGSSA-N 2 1 274.408 2.054 20 0 CEADMP Cc1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000879574276 651324472 /nfs/dbraw/zinc/32/44/72/651324472.db2.gz YXWQHJGBDDFTPH-GVDBMIGSSA-N 2 1 274.408 2.054 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879574276 651324474 /nfs/dbraw/zinc/32/44/74/651324474.db2.gz YXWQHJGBDDFTPH-GVDBMIGSSA-N 2 1 274.408 2.054 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879574276 651324476 /nfs/dbraw/zinc/32/44/76/651324476.db2.gz YXWQHJGBDDFTPH-GVDBMIGSSA-N 2 1 274.408 2.054 20 0 CEADMP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579303 651325519 /nfs/dbraw/zinc/32/55/19/651325519.db2.gz ZDYDPCZZUQMNRR-GOEBONIOSA-N 2 1 298.434 2.142 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579303 651325521 /nfs/dbraw/zinc/32/55/21/651325521.db2.gz ZDYDPCZZUQMNRR-GOEBONIOSA-N 2 1 298.434 2.142 20 0 CEADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579303 651325523 /nfs/dbraw/zinc/32/55/23/651325523.db2.gz ZDYDPCZZUQMNRR-GOEBONIOSA-N 2 1 298.434 2.142 20 0 CEADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579303 651325525 /nfs/dbraw/zinc/32/55/25/651325525.db2.gz ZDYDPCZZUQMNRR-GOEBONIOSA-N 2 1 298.434 2.142 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCC(C)(C)O3)CC[C@@H]21 ZINC000879580092 651326819 /nfs/dbraw/zinc/32/68/19/651326819.db2.gz RJHIDWZBRJVJFI-ILXRZTDVSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCCC(C)(C)O3)CC[C@@H]21 ZINC000879580092 651326820 /nfs/dbraw/zinc/32/68/20/651326820.db2.gz RJHIDWZBRJVJFI-ILXRZTDVSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCC(C)(C)O3)CC[C@@H]21 ZINC000879580092 651326822 /nfs/dbraw/zinc/32/68/22/651326822.db2.gz RJHIDWZBRJVJFI-ILXRZTDVSA-N 2 1 266.429 2.360 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879582239 651327352 /nfs/dbraw/zinc/32/73/52/651327352.db2.gz QVVCIGHMWWOORD-ZIAGYGMSSA-N 2 1 282.428 2.134 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879582239 651327354 /nfs/dbraw/zinc/32/73/54/651327354.db2.gz QVVCIGHMWWOORD-ZIAGYGMSSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879582239 651327356 /nfs/dbraw/zinc/32/73/56/651327356.db2.gz QVVCIGHMWWOORD-ZIAGYGMSSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879582239 651327360 /nfs/dbraw/zinc/32/73/60/651327360.db2.gz QVVCIGHMWWOORD-ZIAGYGMSSA-N 2 1 282.428 2.134 20 0 CEADMP CC(C)CNC(=O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702095 651341274 /nfs/dbraw/zinc/34/12/74/651341274.db2.gz FXPCGBNUXLBTFQ-UHFFFAOYSA-N 2 1 297.487 2.058 20 0 CEADMP CCc1noc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)n1 ZINC000879701833 651341319 /nfs/dbraw/zinc/34/13/19/651341319.db2.gz CDUXBRUYALCCIO-UHFFFAOYSA-N 2 1 294.443 2.432 20 0 CEADMP CCC[C@H](O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703132 651341445 /nfs/dbraw/zinc/34/14/45/651341445.db2.gz DPPWGIKGYCHYOT-INIZCTEOSA-N 2 1 270.461 2.447 20 0 CEADMP CC(C)C[N@H+](Cc1ccnc(N)c1)CC1CC[NH+](C)CC1 ZINC000879703956 651341540 /nfs/dbraw/zinc/34/15/40/651341540.db2.gz HGEPXYQKLNKMMG-UHFFFAOYSA-N 2 1 290.455 2.464 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000880138182 651390130 /nfs/dbraw/zinc/39/01/30/651390130.db2.gz RUXDHIQLPCUNHO-HZPDHXFCSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000880138182 651390131 /nfs/dbraw/zinc/39/01/31/651390131.db2.gz RUXDHIQLPCUNHO-HZPDHXFCSA-N 2 1 276.428 2.140 20 0 CEADMP C(C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1CCC1 ZINC000880201683 651400540 /nfs/dbraw/zinc/40/05/40/651400540.db2.gz RDPNTUUNVAPRQY-MRXNPFEDSA-N 2 1 266.429 2.410 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1CCC1 ZINC000880201683 651400541 /nfs/dbraw/zinc/40/05/41/651400541.db2.gz RDPNTUUNVAPRQY-MRXNPFEDSA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@@H](C)C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203884 651400789 /nfs/dbraw/zinc/40/07/89/651400789.db2.gz OWUPLZZKYFDGRG-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203884 651400790 /nfs/dbraw/zinc/40/07/90/651400790.db2.gz OWUPLZZKYFDGRG-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CCO1 ZINC000880205552 651401051 /nfs/dbraw/zinc/40/10/51/651401051.db2.gz SEODZSJECCIJGI-VYDXJSESSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CCO1 ZINC000880205552 651401052 /nfs/dbraw/zinc/40/10/52/651401052.db2.gz SEODZSJECCIJGI-VYDXJSESSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@H](c1ccccc1)[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000880251230 651410228 /nfs/dbraw/zinc/41/02/28/651410228.db2.gz PZKIENQKNBNYHX-SJLPKXTDSA-N 2 1 287.451 2.459 20 0 CEADMP CCNC(=O)CC[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880257242 651410954 /nfs/dbraw/zinc/41/09/54/651410954.db2.gz URQVCYIXUGEMIX-UHFFFAOYSA-N 2 1 295.471 2.243 20 0 CEADMP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)ccn1 ZINC000880258296 651411295 /nfs/dbraw/zinc/41/12/95/651411295.db2.gz FGWNOKIZQARPPG-HNNXBMFYSA-N 2 1 282.391 2.496 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(N)c2)CCN1c1cc[nH+]cc1 ZINC000880259456 651411695 /nfs/dbraw/zinc/41/16/95/651411695.db2.gz TXACDPKBCBUHRD-CQSZACIVSA-N 2 1 282.391 2.375 20 0 CEADMP CCOC1CC(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000880261279 651412155 /nfs/dbraw/zinc/41/21/55/651412155.db2.gz UGNXBLQUWXHOKQ-HPUBIQBYSA-N 2 1 289.423 2.407 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccn2)CCN1c1cc[nH+]cc1 ZINC000880263669 651412501 /nfs/dbraw/zinc/41/25/01/651412501.db2.gz ZUNBUNGDGXBVMA-CQSZACIVSA-N 2 1 268.364 2.187 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CCN1c1cc[nH+]cc1 ZINC000880263669 651412502 /nfs/dbraw/zinc/41/25/02/651412502.db2.gz ZUNBUNGDGXBVMA-CQSZACIVSA-N 2 1 268.364 2.187 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)o1 ZINC000880261690 651412598 /nfs/dbraw/zinc/41/25/98/651412598.db2.gz YJOJJCYADAKOKA-LBPRGKRZSA-N 2 1 286.379 2.397 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)o1 ZINC000880261690 651412600 /nfs/dbraw/zinc/41/26/00/651412600.db2.gz YJOJJCYADAKOKA-LBPRGKRZSA-N 2 1 286.379 2.397 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ncccn2)CCC1 ZINC000880365945 651430226 /nfs/dbraw/zinc/43/02/26/651430226.db2.gz STOKEJDLWFDLNL-UHFFFAOYSA-N 2 1 271.368 2.041 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000882878253 652245239 /nfs/dbraw/zinc/24/52/39/652245239.db2.gz VWXLYMGKWGHNIQ-UHFFFAOYSA-N 2 1 278.352 2.208 20 0 CEADMP O=c1oc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2o1 ZINC000882897542 652257918 /nfs/dbraw/zinc/25/79/18/652257918.db2.gz LTPXLRHJHMQGBV-QWHCGFSZSA-N 2 1 288.347 2.102 20 0 CEADMP O=c1oc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2o1 ZINC000882897542 652257923 /nfs/dbraw/zinc/25/79/23/652257923.db2.gz LTPXLRHJHMQGBV-QWHCGFSZSA-N 2 1 288.347 2.102 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCC3(COC3)CC2)CC[N@@H+]1C ZINC000883379050 652449513 /nfs/dbraw/zinc/44/95/13/652449513.db2.gz KZNRFQPRBUGPJW-GXTWGEPZSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCC3(COC3)CC2)CC[N@H+]1C ZINC000883379050 652449517 /nfs/dbraw/zinc/44/95/17/652449517.db2.gz KZNRFQPRBUGPJW-GXTWGEPZSA-N 2 1 252.402 2.018 20 0 CEADMP c1ccc2c(c1)C[N@@H+](CC1CC[NH2+]CC1)C[C@H]1CCCN21 ZINC000883412630 652460756 /nfs/dbraw/zinc/46/07/56/652460756.db2.gz KHQLLJTXRAMAMS-QGZVFWFLSA-N 2 1 285.435 2.471 20 0 CEADMP CN(CC[N@H+]1CC[NH2+]CCC12CCC2)c1ccccc1 ZINC000883458916 652476666 /nfs/dbraw/zinc/47/66/66/652476666.db2.gz BGVSJILGMPEKIR-UHFFFAOYSA-N 2 1 273.424 2.341 20 0 CEADMP C[NH2+][C@@H](CC(C)C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000884190739 652747007 /nfs/dbraw/zinc/74/70/07/652747007.db2.gz LFJWUYXATFQLOK-CVEARBPZSA-N 2 1 297.487 2.391 20 0 CEADMP CCc1nc(N(C)CC2CC[NH+](C)CC2)cc(C)[nH+]1 ZINC000341979930 721937059 /nfs/dbraw/zinc/93/70/59/721937059.db2.gz YXFCRBWPKJYSDF-UHFFFAOYSA-N 2 1 262.401 2.125 20 0 CEADMP CN1CC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@H]21 ZINC001167994474 805597822 /nfs/dbraw/zinc/59/78/22/805597822.db2.gz FZKAISPQSYZRLL-HVVXOQGOSA-N 2 1 289.467 2.028 20 0 CEADMP CN1CC[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@H]21 ZINC001167994474 805597832 /nfs/dbraw/zinc/59/78/32/805597832.db2.gz FZKAISPQSYZRLL-HVVXOQGOSA-N 2 1 289.467 2.028 20 0 CEADMP CN1CC[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@H]21 ZINC001167994474 805597837 /nfs/dbraw/zinc/59/78/37/805597837.db2.gz FZKAISPQSYZRLL-HVVXOQGOSA-N 2 1 289.467 2.028 20 0 CEADMP C[N@@H+]1CC[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@H]21 ZINC001167994474 805597845 /nfs/dbraw/zinc/59/78/45/805597845.db2.gz FZKAISPQSYZRLL-HVVXOQGOSA-N 2 1 289.467 2.028 20 0 CEADMP C[N@H+]1CC[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@H]21 ZINC001167994474 805597847 /nfs/dbraw/zinc/59/78/47/805597847.db2.gz FZKAISPQSYZRLL-HVVXOQGOSA-N 2 1 289.467 2.028 20 0 CEADMP C[NH+]1CC[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@H]21 ZINC001167994474 805597856 /nfs/dbraw/zinc/59/78/56/805597856.db2.gz FZKAISPQSYZRLL-HVVXOQGOSA-N 2 1 289.467 2.028 20 0 CEADMP C[NH+]1CC[C@H]2CN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@H]21 ZINC001167994474 805597858 /nfs/dbraw/zinc/59/78/58/805597858.db2.gz FZKAISPQSYZRLL-HVVXOQGOSA-N 2 1 289.467 2.028 20 0 CEADMP COC[C@@H]1CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001491 805633980 /nfs/dbraw/zinc/63/39/80/805633980.db2.gz CDIUOKPTHNVHSG-QGPPMGRFSA-N 2 1 264.413 2.113 20 0 CEADMP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)C(C)(F)F ZINC000696586419 805672154 /nfs/dbraw/zinc/67/21/54/805672154.db2.gz LXOQEVMQWCFEJB-QWRGUYRKSA-N 2 1 264.360 2.024 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[C@@H]([NH3+])C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011256 805697894 /nfs/dbraw/zinc/69/78/94/805697894.db2.gz MZKZXYCDBVKDFM-CYGHRXIMSA-N 2 1 287.451 2.461 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](CCc2cccnc2OC(C)C)C1 ZINC001205001050 805825008 /nfs/dbraw/zinc/82/50/08/805825008.db2.gz NHMCEMAFCNFLPX-OAHLLOKOSA-N 2 1 291.439 2.343 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2cccnc2OC(C)C)C1 ZINC001205001050 805825018 /nfs/dbraw/zinc/82/50/18/805825018.db2.gz NHMCEMAFCNFLPX-OAHLLOKOSA-N 2 1 291.439 2.343 20 0 CEADMP CCC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001271207454 805896139 /nfs/dbraw/zinc/89/61/39/805896139.db2.gz MXMCASRLSCXQBH-APPUJDCNSA-N 2 1 295.471 2.121 20 0 CEADMP CC(C)=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001271887159 806129682 /nfs/dbraw/zinc/12/96/82/806129682.db2.gz YONVWGBCIOACNR-CVEARBPZSA-N 2 1 295.471 2.167 20 0 CEADMP CC(C)=CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001271904284 806137017 /nfs/dbraw/zinc/13/70/17/806137017.db2.gz ZLOGWCVTTHBMBB-JKSUJKDBSA-N 2 1 295.471 2.025 20 0 CEADMP CCCCCC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203213467 806354501 /nfs/dbraw/zinc/35/45/01/806354501.db2.gz AFFQEKRUZCYZBU-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCc3c(cc[nH]c3=O)C2)CC1 ZINC001168328449 806658283 /nfs/dbraw/zinc/65/82/83/806658283.db2.gz GWGUHYUXZSUFAR-UHFFFAOYSA-N 2 1 275.396 2.018 20 0 CEADMP CC(C)[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCO1 ZINC001168329207 806658424 /nfs/dbraw/zinc/65/84/24/806658424.db2.gz PWWLLEHRPHECMV-NRXISQOPSA-N 2 1 254.418 2.216 20 0 CEADMP CCCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168344508 806667066 /nfs/dbraw/zinc/66/70/66/806667066.db2.gz CWYDFGWYTHXSMN-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000348329730 806961258 /nfs/dbraw/zinc/96/12/58/806961258.db2.gz RGBAUYGVBVRAGC-WBTNSWJXSA-N 2 1 276.424 2.398 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000348329730 806961261 /nfs/dbraw/zinc/96/12/61/806961261.db2.gz RGBAUYGVBVRAGC-WBTNSWJXSA-N 2 1 276.424 2.398 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H](C)O ZINC000348391326 806964586 /nfs/dbraw/zinc/96/45/86/806964586.db2.gz IEHRJUHGXSLWAY-CABCVRRESA-N 2 1 276.424 2.052 20 0 CEADMP CCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266246858 802315769 /nfs/dbraw/zinc/31/57/69/802315769.db2.gz XSNYYNSXYZOOSR-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CC[N@H+](CC(=O)OC(C)(C)C)CC1(C)CC[NH+](C)CC1 ZINC001208108676 802341545 /nfs/dbraw/zinc/34/15/45/802341545.db2.gz GKUWIUPPWLMKEP-UHFFFAOYSA-N 2 1 284.444 2.382 20 0 CEADMP CC[N@@H+](CC(=O)OC(C)(C)C)CC1(C)CC[NH+](C)CC1 ZINC001208108676 802341555 /nfs/dbraw/zinc/34/15/55/802341555.db2.gz GKUWIUPPWLMKEP-UHFFFAOYSA-N 2 1 284.444 2.382 20 0 CEADMP C[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)CC[C@@]1(C)O ZINC001208108340 802342312 /nfs/dbraw/zinc/34/23/12/802342312.db2.gz TVKQLXQUWCHPTD-GDBMZVCRSA-N 2 1 268.445 2.201 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2Cc2ccccn2)C1 ZINC001208608315 802388901 /nfs/dbraw/zinc/38/89/01/802388901.db2.gz GXFNWKSHGOWYEF-WBVHZDCISA-N 2 1 273.424 2.430 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H]2Cc2ccccn2)C1 ZINC001208608315 802388908 /nfs/dbraw/zinc/38/89/08/802388908.db2.gz GXFNWKSHGOWYEF-WBVHZDCISA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H]2Cc2ccccn2)C1 ZINC001208608315 802388917 /nfs/dbraw/zinc/38/89/17/802388917.db2.gz GXFNWKSHGOWYEF-WBVHZDCISA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H]2Cc2ccccn2)C1 ZINC001208608315 802388923 /nfs/dbraw/zinc/38/89/23/802388923.db2.gz GXFNWKSHGOWYEF-WBVHZDCISA-N 2 1 273.424 2.430 20 0 CEADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC001209421035 802518418 /nfs/dbraw/zinc/51/84/18/802518418.db2.gz HNHUFFKLBXFEMC-YCPHGPKFSA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)Oc1cc[nH+]c(N2CCc3[nH+]ccn3CC2)c1 ZINC001167182754 802563384 /nfs/dbraw/zinc/56/33/84/802563384.db2.gz SHEAQZSSITVPKT-UHFFFAOYSA-N 2 1 272.352 2.128 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)CC[C@H]1[NH3+] ZINC000721420823 802587805 /nfs/dbraw/zinc/58/78/05/802587805.db2.gz BQBVHTHBPLTDIR-WRWGMCAJSA-N 2 1 280.334 2.156 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)CC[C@H]1[NH3+] ZINC000721420823 802587809 /nfs/dbraw/zinc/58/78/09/802587809.db2.gz BQBVHTHBPLTDIR-WRWGMCAJSA-N 2 1 280.334 2.156 20 0 CEADMP C[C@H]1C[C@@H](NCc2cccc3c2OCC3)CC[N@H+]1C ZINC000693128306 802659243 /nfs/dbraw/zinc/65/92/43/802659243.db2.gz SDFNXJRUPVPVRT-WFASDCNBSA-N 2 1 260.381 2.194 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2OCC3)CCN1C ZINC000693128306 802659247 /nfs/dbraw/zinc/65/92/47/802659247.db2.gz SDFNXJRUPVPVRT-WFASDCNBSA-N 2 1 260.381 2.194 20 0 CEADMP C[N@H+]1CCC[C@@H](N[C@@H]2[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC1 ZINC000398311875 802825229 /nfs/dbraw/zinc/82/52/29/802825229.db2.gz TYGYJTZYNOHWMO-YRXWBPOGSA-N 2 1 299.462 2.191 20 0 CEADMP C[NH+]1CCC[C@@H](N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000398311875 802825235 /nfs/dbraw/zinc/82/52/35/802825235.db2.gz TYGYJTZYNOHWMO-YRXWBPOGSA-N 2 1 299.462 2.191 20 0 CEADMP C[NH+]1CCC[C@@H](N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000398311875 802825241 /nfs/dbraw/zinc/82/52/41/802825241.db2.gz TYGYJTZYNOHWMO-YRXWBPOGSA-N 2 1 299.462 2.191 20 0 CEADMP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108802445 811766557 /nfs/dbraw/zinc/76/65/57/811766557.db2.gz AWLSWSCQIYWDMJ-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167472402 802888712 /nfs/dbraw/zinc/88/87/12/802888712.db2.gz XJPFCGIKYKRVMT-AWEZNQCLSA-N 2 1 294.443 2.149 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000398966130 802929290 /nfs/dbraw/zinc/92/92/90/802929290.db2.gz RBMRDNVMUFLXFN-SOUVJXGZSA-N 3 1 255.450 2.227 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCCOCc2ccccc2)C[NH2+]1 ZINC000399025128 802936305 /nfs/dbraw/zinc/93/63/05/802936305.db2.gz GXTGMSABNMWVRY-ZBFHGGJFSA-N 2 1 262.397 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)C[C@H]1CC[NH3+] ZINC000723886241 802964409 /nfs/dbraw/zinc/96/44/09/802964409.db2.gz IKQSJVNKSRAGLD-WYUUTHIRSA-N 2 1 280.334 2.013 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)C[C@H]1CC[NH3+] ZINC000723882777 802964485 /nfs/dbraw/zinc/96/44/85/802964485.db2.gz KVDSCXJWDQWVLU-GHMZBOCLSA-N 2 1 254.324 2.382 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000723951870 802973626 /nfs/dbraw/zinc/97/36/26/802973626.db2.gz POKSYWFJEPVDEK-YJNKXOJESA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000723951870 802973629 /nfs/dbraw/zinc/97/36/29/802973629.db2.gz POKSYWFJEPVDEK-YJNKXOJESA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC[N@@H+]1C ZINC000723999952 802992066 /nfs/dbraw/zinc/99/20/66/802992066.db2.gz PMZKPHSZHJOEJK-MIGQKNRLSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC[N@H+]1C ZINC000723999952 802992070 /nfs/dbraw/zinc/99/20/70/802992070.db2.gz PMZKPHSZHJOEJK-MIGQKNRLSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCOC1 ZINC000724013409 803003881 /nfs/dbraw/zinc/00/38/81/803003881.db2.gz QJEYZLBVIVKUCM-WCVJEAGWSA-N 2 1 266.429 2.408 20 0 CEADMP CCCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001267136049 803156338 /nfs/dbraw/zinc/15/63/38/803156338.db2.gz SFQSAGOZOKAKQY-LSDHHAIUSA-N 2 1 283.460 2.145 20 0 CEADMP CCCCC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267142829 803160343 /nfs/dbraw/zinc/16/03/43/803160343.db2.gz XCVLXDQWYXQUPB-PMPSAXMXSA-N 2 1 297.487 2.391 20 0 CEADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCC1=CCCCC1 ZINC001267188998 803211119 /nfs/dbraw/zinc/21/11/19/803211119.db2.gz PMJZGYUBIMZPFR-INIZCTEOSA-N 2 1 293.455 2.019 20 0 CEADMP CC[C@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167626952 803216581 /nfs/dbraw/zinc/21/65/81/803216581.db2.gz IEUBREHCSHNWEI-HOTGVXAUSA-N 2 1 297.487 2.391 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCOC(C)(C)C3)C[C@@H]2C1 ZINC001207362604 803269944 /nfs/dbraw/zinc/26/99/44/803269944.db2.gz CQNQSWDEZVHJCZ-OAGGEKHMSA-N 2 1 280.456 2.465 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCOC(C)(C)C3)C[C@@H]2C1 ZINC001207362604 803269950 /nfs/dbraw/zinc/26/99/50/803269950.db2.gz CQNQSWDEZVHJCZ-OAGGEKHMSA-N 2 1 280.456 2.465 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCOC(C)(C)C3)C[C@@H]2C1 ZINC001207362604 803269953 /nfs/dbraw/zinc/26/99/53/803269953.db2.gz CQNQSWDEZVHJCZ-OAGGEKHMSA-N 2 1 280.456 2.465 20 0 CEADMP C(CC1SCCS1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000693791924 803319974 /nfs/dbraw/zinc/31/99/74/803319974.db2.gz SOUMSJNBHSBPFM-NEPJUHHUSA-N 2 1 272.483 2.399 20 0 CEADMP CCN1CC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000712583500 814755074 /nfs/dbraw/zinc/75/50/74/814755074.db2.gz ZRGNCGKJJXASBW-GOSISDBHSA-N 2 1 287.451 2.335 20 0 CEADMP C[C@@]1(C(F)(F)F)C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000712720846 814767827 /nfs/dbraw/zinc/76/78/27/814767827.db2.gz NBKGXWVSNJJSKC-NEPJUHHUSA-N 2 1 280.334 2.029 20 0 CEADMP C[C@@]1(C(F)(F)F)C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000712720846 814767829 /nfs/dbraw/zinc/76/78/29/814767829.db2.gz NBKGXWVSNJJSKC-NEPJUHHUSA-N 2 1 280.334 2.029 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cn[nH]c1C ZINC000036901489 814940513 /nfs/dbraw/zinc/94/05/13/814940513.db2.gz PDXJBYLIHPXHRB-LBPRGKRZSA-N 2 1 252.406 2.318 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC(C)C ZINC001038329339 803622184 /nfs/dbraw/zinc/62/21/84/803622184.db2.gz PSGJHPRTYXACHU-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP COc1ccccc1CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001207452257 803646965 /nfs/dbraw/zinc/64/69/65/803646965.db2.gz JXFCBTDUXQWJBF-CVEARBPZSA-N 2 1 274.408 2.121 20 0 CEADMP COc1ccccc1CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001207452257 803646969 /nfs/dbraw/zinc/64/69/69/803646969.db2.gz JXFCBTDUXQWJBF-CVEARBPZSA-N 2 1 274.408 2.121 20 0 CEADMP COc1ccccc1CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001207452257 803646972 /nfs/dbraw/zinc/64/69/72/803646972.db2.gz JXFCBTDUXQWJBF-CVEARBPZSA-N 2 1 274.408 2.121 20 0 CEADMP C[NH2+]CCNc1nccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001167722854 803668048 /nfs/dbraw/zinc/66/80/48/803668048.db2.gz DDYMAGNUKQHDJN-UHFFFAOYSA-N 2 1 296.418 2.271 20 0 CEADMP CCCCCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267732475 803682004 /nfs/dbraw/zinc/68/20/04/803682004.db2.gz RGSHXBNMZFWIHY-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267732475 803682007 /nfs/dbraw/zinc/68/20/07/803682007.db2.gz RGSHXBNMZFWIHY-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267732475 803682010 /nfs/dbraw/zinc/68/20/10/803682010.db2.gz RGSHXBNMZFWIHY-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP c1ccc2c(c1)CC[N@H+](CCCN[C@@H]1CC[NH2+]C13CCC3)C2 ZINC000925529556 803702186 /nfs/dbraw/zinc/70/21/86/803702186.db2.gz ZLZBAZVSZJFXKP-GOSISDBHSA-N 2 1 299.462 2.309 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000715478727 814958892 /nfs/dbraw/zinc/95/88/92/814958892.db2.gz FCTMPUZYLWEPRJ-PMOUVXMZSA-N 2 1 252.402 2.146 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000715478727 814958897 /nfs/dbraw/zinc/95/88/97/814958897.db2.gz FCTMPUZYLWEPRJ-PMOUVXMZSA-N 2 1 252.402 2.146 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](C[C@@H](O)c2ccccc2)[C@H]1C ZINC000692628846 803737266 /nfs/dbraw/zinc/73/72/66/803737266.db2.gz URXZLRGOASYZHX-BFJAYTPKSA-N 2 1 262.397 2.168 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](C[C@@H](O)c2ccccc2)[C@H]1C ZINC000692628846 803737270 /nfs/dbraw/zinc/73/72/70/803737270.db2.gz URXZLRGOASYZHX-BFJAYTPKSA-N 2 1 262.397 2.168 20 0 CEADMP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001267794990 803738011 /nfs/dbraw/zinc/73/80/11/803738011.db2.gz UNGXTLUZZIMBHE-INIZCTEOSA-N 2 1 295.471 2.216 20 0 CEADMP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001267794991 803738167 /nfs/dbraw/zinc/73/81/67/803738167.db2.gz UNGXTLUZZIMBHE-MRXNPFEDSA-N 2 1 295.471 2.216 20 0 CEADMP CCCC[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001267932264 803827880 /nfs/dbraw/zinc/82/78/80/803827880.db2.gz GZRSLCXHHNWLBO-SHTZXODSSA-N 2 1 292.427 2.009 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000709358554 803828245 /nfs/dbraw/zinc/82/82/45/803828245.db2.gz XUUWBXYVZLJZMZ-NJAFHUGGSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000709358554 803828255 /nfs/dbraw/zinc/82/82/55/803828255.db2.gz XUUWBXYVZLJZMZ-NJAFHUGGSA-N 3 1 287.451 2.239 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000709358554 803828265 /nfs/dbraw/zinc/82/82/65/803828265.db2.gz XUUWBXYVZLJZMZ-NJAFHUGGSA-N 3 1 287.451 2.239 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCCNc1c[nH+]c2c(c1)CCCN2 ZINC001167754518 803840046 /nfs/dbraw/zinc/84/00/46/803840046.db2.gz RWVOCOBIDHNOFR-CQSZACIVSA-N 2 1 288.439 2.404 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNc1c[nH+]c2c(c1)CCCN2 ZINC001167754518 803840057 /nfs/dbraw/zinc/84/00/57/803840057.db2.gz RWVOCOBIDHNOFR-CQSZACIVSA-N 2 1 288.439 2.404 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715516019 814970612 /nfs/dbraw/zinc/97/06/12/814970612.db2.gz CCFMLYIKQMGMJM-QEJZJMRPSA-N 2 1 252.402 2.005 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[C@@H](C4CC4)O3)C[C@H]21 ZINC000715536604 814973786 /nfs/dbraw/zinc/97/37/86/814973786.db2.gz SKCRNXGTOHFMKM-JKJDWNRSSA-N 2 1 264.413 2.003 20 0 CEADMP COc1cncc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000715561359 814978658 /nfs/dbraw/zinc/97/86/58/814978658.db2.gz JTFLWPOYCROJGX-KBPBESRZSA-N 2 1 263.385 2.053 20 0 CEADMP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@@H]1CCCCN1 ZINC000715553486 814978995 /nfs/dbraw/zinc/97/89/95/814978995.db2.gz RUDPLGQTWAJKKC-UIDBIOKJSA-N 2 1 267.461 2.370 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cs1 ZINC000715577461 814980316 /nfs/dbraw/zinc/98/03/16/814980316.db2.gz BKNFXGHIMXIUJM-QWHCGFSZSA-N 2 1 296.436 2.497 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC)C1 ZINC001027163801 803966167 /nfs/dbraw/zinc/96/61/67/803966167.db2.gz KYHAGWPSRVSSJP-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001027441266 804075359 /nfs/dbraw/zinc/07/53/59/804075359.db2.gz CGHYEPZCSFNSOF-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001027441266 804075369 /nfs/dbraw/zinc/07/53/69/804075369.db2.gz CGHYEPZCSFNSOF-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027441266 804075381 /nfs/dbraw/zinc/07/53/81/804075381.db2.gz CGHYEPZCSFNSOF-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027440469 804076480 /nfs/dbraw/zinc/07/64/80/804076480.db2.gz HEEFCYAECSZVAM-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001027452556 804079461 /nfs/dbraw/zinc/07/94/61/804079461.db2.gz QREPODLJQLWJQH-CVEARBPZSA-N 2 1 297.487 2.151 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CCc2ccc(F)cc2F)C1 ZINC001118242269 814997535 /nfs/dbraw/zinc/99/75/35/814997535.db2.gz DCJUSJRHJMPGOA-CQSZACIVSA-N 2 1 254.324 2.178 20 0 CEADMP CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001027919651 804342701 /nfs/dbraw/zinc/34/27/01/804342701.db2.gz ZFAMRDQIPSTEQM-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001027919651 804342710 /nfs/dbraw/zinc/34/27/10/804342710.db2.gz ZFAMRDQIPSTEQM-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001027919651 804342719 /nfs/dbraw/zinc/34/27/19/804342719.db2.gz ZFAMRDQIPSTEQM-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP COc1ccc(NC(=[NH2+])SCC[NH3+])c2[nH]ccc21 ZINC001167914279 804354601 /nfs/dbraw/zinc/35/46/01/804354601.db2.gz JKRJZLCTOBYESE-UHFFFAOYSA-N 2 1 264.354 2.215 20 0 CEADMP CCOC(=O)CC[N@@H+](C)[C@H](C)CCC[NH+](CC)CC ZINC001167825942 804387159 /nfs/dbraw/zinc/38/71/59/804387159.db2.gz LTMHACIESGRBBK-CQSZACIVSA-N 2 1 272.433 2.382 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(N2CCCC2)C1 ZINC001167827504 804391401 /nfs/dbraw/zinc/39/14/01/804391401.db2.gz XAWHRVLAWVGUBT-HNNXBMFYSA-N 2 1 267.461 2.277 20 0 CEADMP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268086978 804398409 /nfs/dbraw/zinc/39/84/09/804398409.db2.gz NQNYWIVKLKORPU-HOTGVXAUSA-N 2 1 297.487 2.486 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(C)=O)C1 ZINC001167840723 804442062 /nfs/dbraw/zinc/44/20/62/804442062.db2.gz IAGGGMXVFOBQFQ-NVXWUHKLSA-N 2 1 297.487 2.440 20 0 CEADMP C[C@H](CC[NH2+]CC1CCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268394971 804650037 /nfs/dbraw/zinc/65/00/37/804650037.db2.gz OKHGCHAVWNUCFL-YCPHGPKFSA-N 2 1 295.471 2.001 20 0 CEADMP CCN(CC[NH2+]CCCC(C)C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001268471781 804717422 /nfs/dbraw/zinc/71/74/22/804717422.db2.gz JITMVMFDKDXIGD-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP O[C@]1(CF)CCCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168374290 806981379 /nfs/dbraw/zinc/98/13/79/806981379.db2.gz YLTBRDBDBRZGHQ-INIZCTEOSA-N 2 1 284.419 2.047 20 0 CEADMP CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC1=CCCCC1)[NH+](C)C ZINC001268754009 804959709 /nfs/dbraw/zinc/95/97/09/804959709.db2.gz YUWUHBJCFBJJAD-GDBMZVCRSA-N 2 1 295.471 2.264 20 0 CEADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC001168387846 807047039 /nfs/dbraw/zinc/04/70/39/807047039.db2.gz VZMNATVXWRRJND-CZUORRHYSA-N 2 1 294.439 2.134 20 0 CEADMP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001269411908 805157302 /nfs/dbraw/zinc/15/73/02/805157302.db2.gz XKZVWABRQOPHRE-HNNXBMFYSA-N 2 1 295.471 2.288 20 0 CEADMP CCC[N@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001269739988 805242186 /nfs/dbraw/zinc/24/21/86/805242186.db2.gz AYLGLWCTSQLMTH-KRWDZBQOSA-N 2 1 295.471 2.053 20 0 CEADMP O[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167961292 805350103 /nfs/dbraw/zinc/35/01/03/805350103.db2.gz HLDWZQGQQJQVJT-AKBNIOSXSA-N 2 1 278.440 2.285 20 0 CEADMP CC/C=C\CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001270486259 805448514 /nfs/dbraw/zinc/44/85/14/805448514.db2.gz JTXQACUCMHUMQD-XFCCUVRLSA-N 2 1 295.471 2.169 20 0 CEADMP CCOC(=O)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964481 805449501 /nfs/dbraw/zinc/44/95/01/805449501.db2.gz QXUHEEXGAOAIEO-OHRKKDJYSA-N 2 1 294.439 2.323 20 0 CEADMP O[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@@H]1F ZINC001167983313 805519265 /nfs/dbraw/zinc/51/92/65/805519265.db2.gz FQUWLAWBQGMXKF-BFZKSOEOSA-N 2 1 296.430 2.187 20 0 CEADMP O[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@@H]1F ZINC001167983313 805519271 /nfs/dbraw/zinc/51/92/71/805519271.db2.gz FQUWLAWBQGMXKF-BFZKSOEOSA-N 2 1 296.430 2.187 20 0 CEADMP O[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@@H]1F ZINC001167983313 805519277 /nfs/dbraw/zinc/51/92/77/805519277.db2.gz FQUWLAWBQGMXKF-BFZKSOEOSA-N 2 1 296.430 2.187 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC001168394742 807072575 /nfs/dbraw/zinc/07/25/75/807072575.db2.gz FOJMKEIQJCUPCQ-IAGOWNOFSA-N 3 1 291.483 2.134 20 0 CEADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC[C@@H]2CO)c1 ZINC001232145807 807222708 /nfs/dbraw/zinc/22/27/08/807222708.db2.gz YXHUDCIPEZBHJK-MRXNPFEDSA-N 2 1 280.387 2.234 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1ncc[nH]1 ZINC001089169003 807393844 /nfs/dbraw/zinc/39/38/44/807393844.db2.gz CNDILNHXFRIBLS-AWEZNQCLSA-N 2 1 292.427 2.064 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC ZINC001099130907 807413964 /nfs/dbraw/zinc/41/39/64/807413964.db2.gz USDCDLZYEBSYQH-AWEZNQCLSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099130907 807413970 /nfs/dbraw/zinc/41/39/70/807413970.db2.gz USDCDLZYEBSYQH-AWEZNQCLSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC ZINC001099130907 807413973 /nfs/dbraw/zinc/41/39/73/807413973.db2.gz USDCDLZYEBSYQH-AWEZNQCLSA-N 2 1 297.487 2.343 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171448221 815126314 /nfs/dbraw/zinc/12/63/14/815126314.db2.gz KKZGKSYCLLEOMV-FZMZJTMJSA-N 2 1 280.362 2.363 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@H]([NH3+])CC1)OCc1ccccc1 ZINC001205094396 807578128 /nfs/dbraw/zinc/57/81/28/807578128.db2.gz LVPFAXRTQGWORC-HOCLYGCPSA-N 2 1 262.397 2.405 20 0 CEADMP [NH3+][C@H]1CCCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001205095449 807590586 /nfs/dbraw/zinc/59/05/86/807590586.db2.gz XRLFRXFCHWPUTN-ROUUACIJSA-N 2 1 287.451 2.322 20 0 CEADMP COc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)ccc1F ZINC001205095465 807594041 /nfs/dbraw/zinc/59/40/41/807594041.db2.gz XTHMJVRAPTXTKX-LBPRGKRZSA-N 2 1 252.333 2.148 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)ccc1F ZINC001205095465 807594044 /nfs/dbraw/zinc/59/40/44/807594044.db2.gz XTHMJVRAPTXTKX-LBPRGKRZSA-N 2 1 252.333 2.148 20 0 CEADMP CC[C@H](C)C[NH+]1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001031044839 807617512 /nfs/dbraw/zinc/61/75/12/807617512.db2.gz FNINNDKDCGPZHI-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCOCC12CCCC2 ZINC000699208678 807646787 /nfs/dbraw/zinc/64/67/87/807646787.db2.gz GAIMSJUXFFPQIY-GOOCMWNKSA-N 2 1 264.413 2.162 20 0 CEADMP CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492386 808010068 /nfs/dbraw/zinc/01/00/68/808010068.db2.gz IVQUFOSDGPWNAP-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492386 808010073 /nfs/dbraw/zinc/01/00/73/808010073.db2.gz IVQUFOSDGPWNAP-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492386 808010080 /nfs/dbraw/zinc/01/00/80/808010080.db2.gz IVQUFOSDGPWNAP-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@H]1C[C@@]1(C)Br ZINC001120053731 815192996 /nfs/dbraw/zinc/19/29/96/815192996.db2.gz NHNUQJCNVOJSPG-FVCCEPFGSA-N 2 1 289.261 2.432 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@H]1C[C@@]1(C)Br ZINC001120053731 815192999 /nfs/dbraw/zinc/19/29/99/815192999.db2.gz NHNUQJCNVOJSPG-FVCCEPFGSA-N 2 1 289.261 2.432 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@H]1C[C@@]1(C)Br ZINC001120053731 815193001 /nfs/dbraw/zinc/19/30/01/815193001.db2.gz NHNUQJCNVOJSPG-FVCCEPFGSA-N 2 1 289.261 2.432 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@H]1C[C@@]1(C)Br ZINC001120053731 815193003 /nfs/dbraw/zinc/19/30/03/815193003.db2.gz NHNUQJCNVOJSPG-FVCCEPFGSA-N 2 1 289.261 2.432 20 0 CEADMP Cc1cccc2c1CC[C@@H]([NH+]1C[C@H]3C[N@@H+](C)C[C@H]3C1)C2 ZINC001171573187 815199559 /nfs/dbraw/zinc/19/95/59/815199559.db2.gz HECQUALFKYFBSR-IXDOHACOSA-N 2 1 270.420 2.346 20 0 CEADMP CN1CCC([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171614076 815203991 /nfs/dbraw/zinc/20/39/91/815203991.db2.gz VBESZUZYJBYVEA-UHFFFAOYSA-N 2 1 267.461 2.322 20 0 CEADMP CCN1CCC([N@@H+](C)Cc2ccnc3[nH]ccc32)CC1 ZINC001142879067 808526291 /nfs/dbraw/zinc/52/62/91/808526291.db2.gz HCOMWSOXTVJCHM-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2ccnc3[nH]ccc32)CC1 ZINC001142879067 808526296 /nfs/dbraw/zinc/52/62/96/808526296.db2.gz HCOMWSOXTVJCHM-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC(=O)N1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001171641168 815215421 /nfs/dbraw/zinc/21/54/21/815215421.db2.gz FLXOTXUPLZKIMW-ZDUSSCGKSA-N 2 1 295.471 2.190 20 0 CEADMP CC(=O)N1CC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001171641168 815215424 /nfs/dbraw/zinc/21/54/24/815215424.db2.gz FLXOTXUPLZKIMW-ZDUSSCGKSA-N 2 1 295.471 2.190 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@@H+](CCCc2cccc(Cl)c2)CC1 ZINC001205210871 808564961 /nfs/dbraw/zinc/56/49/61/808564961.db2.gz SERGQNVJYMJTMK-MRXNPFEDSA-N 2 1 296.842 2.448 20 0 CEADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@](O)(C[NH3+])CC2)o1 ZINC001205212348 808575249 /nfs/dbraw/zinc/57/52/49/808575249.db2.gz ZFOCXZRNXDZEOZ-XJKSGUPXSA-N 2 1 280.412 2.257 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC1CCCCC1 ZINC001171732160 815219554 /nfs/dbraw/zinc/21/95/54/815219554.db2.gz XZAOPVLWUAKUGP-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP COc1ccc([C@@H]2C[C@H]([NH2+]C(C)(C)C[NH3+])CCO2)cc1 ZINC001168583131 808669242 /nfs/dbraw/zinc/66/92/42/808669242.db2.gz INEZZUUMHAPMBK-HIFRSBDPSA-N 2 1 278.396 2.242 20 0 CEADMP C[C@H]1C[C@@H](N2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC001171762315 815226659 /nfs/dbraw/zinc/22/66/59/815226659.db2.gz IYZMTXHSOOBCLZ-LZLYRXPVSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@H]1C[C@@H](N2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC001171762315 815226661 /nfs/dbraw/zinc/22/66/61/815226661.db2.gz IYZMTXHSOOBCLZ-LZLYRXPVSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@H]1C[C@@H](N2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC001171762315 815226664 /nfs/dbraw/zinc/22/66/64/815226664.db2.gz IYZMTXHSOOBCLZ-LZLYRXPVSA-N 2 1 287.451 2.285 20 0 CEADMP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc[nH+]c(N2CCCC2)n1 ZINC001168596235 808692854 /nfs/dbraw/zinc/69/28/54/808692854.db2.gz HFBCWAIRILBOJH-KBPBESRZSA-N 2 1 289.427 2.362 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CCCC ZINC001168606930 808700583 /nfs/dbraw/zinc/70/05/83/808700583.db2.gz OQBIRHNLHRYNRV-UHFFFAOYSA-N 2 1 285.476 2.395 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171776449 815230935 /nfs/dbraw/zinc/23/09/35/815230935.db2.gz WXTQPQUVRFGDDN-GXTWGEPZSA-N 2 1 262.372 2.224 20 0 CEADMP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2)C1(C)C ZINC001120607742 815245588 /nfs/dbraw/zinc/24/55/88/815245588.db2.gz HHIBDIWUMXPYCK-SOUVJXGZSA-N 2 1 262.397 2.038 20 0 CEADMP CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033198417 809231166 /nfs/dbraw/zinc/23/11/66/809231166.db2.gz LEVOEZVFRZKWOG-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033198417 809231170 /nfs/dbraw/zinc/23/11/70/809231170.db2.gz LEVOEZVFRZKWOG-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033198417 809231174 /nfs/dbraw/zinc/23/11/74/809231174.db2.gz LEVOEZVFRZKWOG-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000700827889 809359694 /nfs/dbraw/zinc/35/96/94/809359694.db2.gz ZSJUKFHXFMQKCN-UPJWGTAASA-N 2 1 294.361 2.418 20 0 CEADMP CN1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172065651 815285883 /nfs/dbraw/zinc/28/58/83/815285883.db2.gz PVEVFWYNZMFRMJ-LUPIEILUSA-N 2 1 299.462 2.476 20 0 CEADMP CN1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065651 815285888 /nfs/dbraw/zinc/28/58/88/815285888.db2.gz PVEVFWYNZMFRMJ-LUPIEILUSA-N 2 1 299.462 2.476 20 0 CEADMP CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033834424 809430705 /nfs/dbraw/zinc/43/07/05/809430705.db2.gz FXQVQAOIPVLOOV-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033834424 809430710 /nfs/dbraw/zinc/43/07/10/809430710.db2.gz FXQVQAOIPVLOOV-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033834424 809430713 /nfs/dbraw/zinc/43/07/13/809430713.db2.gz FXQVQAOIPVLOOV-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+]([C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1CCCOC1 ZINC001172132041 815290482 /nfs/dbraw/zinc/29/04/82/815290482.db2.gz JOMYKVRBRKKPSN-LJISPDSOSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@H+]([C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1CCCOC1 ZINC001172132041 815290484 /nfs/dbraw/zinc/29/04/84/815290484.db2.gz JOMYKVRBRKKPSN-LJISPDSOSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]([C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCCOC1 ZINC001172132041 815290486 /nfs/dbraw/zinc/29/04/86/815290486.db2.gz JOMYKVRBRKKPSN-LJISPDSOSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]([C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCCOC1 ZINC001172132041 815290488 /nfs/dbraw/zinc/29/04/88/815290488.db2.gz JOMYKVRBRKKPSN-LJISPDSOSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@H+]([C@@H]1CCC2(C1)OCCO2)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131453 815291240 /nfs/dbraw/zinc/29/12/40/815291240.db2.gz XCBGAIYJQXSKQA-QXSJWSMHSA-N 2 1 294.439 2.229 20 0 CEADMP C[N@@H+]([C@@H]1CCC2(C1)OCCO2)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131453 815291243 /nfs/dbraw/zinc/29/12/43/815291243.db2.gz XCBGAIYJQXSKQA-QXSJWSMHSA-N 2 1 294.439 2.229 20 0 CEADMP C[NH+]([C@@H]1CCC2(C1)OCCO2)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131453 815291245 /nfs/dbraw/zinc/29/12/45/815291245.db2.gz XCBGAIYJQXSKQA-QXSJWSMHSA-N 2 1 294.439 2.229 20 0 CEADMP C[NH+]([C@@H]1CCC2(C1)OCCO2)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131453 815291248 /nfs/dbraw/zinc/29/12/48/815291248.db2.gz XCBGAIYJQXSKQA-QXSJWSMHSA-N 2 1 294.439 2.229 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(CO)cc1)C2 ZINC001172101957 815293596 /nfs/dbraw/zinc/29/35/96/815293596.db2.gz IKXJAEVSQKQIEE-OSYLJGHBSA-N 2 1 274.408 2.284 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1Cc3ccccc3NC1=O)C2 ZINC001172103897 815294215 /nfs/dbraw/zinc/29/42/15/815294215.db2.gz XUHSFJBGUTVLOX-JYYAWHABSA-N 2 1 299.418 2.155 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1Cc3ccccc3NC1=O)C2 ZINC001172103897 815294218 /nfs/dbraw/zinc/29/42/18/815294218.db2.gz XUHSFJBGUTVLOX-JYYAWHABSA-N 2 1 299.418 2.155 20 0 CEADMP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105073 815295318 /nfs/dbraw/zinc/29/53/18/815295318.db2.gz GGZQRGBWEDWVDZ-DARAHFNDSA-N 2 1 274.412 2.013 20 0 CEADMP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105073 815295322 /nfs/dbraw/zinc/29/53/22/815295322.db2.gz GGZQRGBWEDWVDZ-DARAHFNDSA-N 2 1 274.412 2.013 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@]1(C)CCC[N@H+](C)C1)C2 ZINC001172108676 815297958 /nfs/dbraw/zinc/29/79/58/815297958.db2.gz CXDOVTPNJANJQJ-FZKCQIBNSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCC[C@](C)(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172108676 815297963 /nfs/dbraw/zinc/29/79/63/815297963.db2.gz CXDOVTPNJANJQJ-FZKCQIBNSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCC[C@](C)(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172108676 815297966 /nfs/dbraw/zinc/29/79/66/815297966.db2.gz CXDOVTPNJANJQJ-FZKCQIBNSA-N 2 1 265.445 2.076 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034216484 809552832 /nfs/dbraw/zinc/55/28/32/809552832.db2.gz HFISVNRMUGAEEV-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034216484 809552836 /nfs/dbraw/zinc/55/28/36/809552836.db2.gz HFISVNRMUGAEEV-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034216484 809552841 /nfs/dbraw/zinc/55/28/41/809552841.db2.gz HFISVNRMUGAEEV-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC13CC[NH+](CC1)CC3)C2 ZINC001172112431 815299909 /nfs/dbraw/zinc/29/99/09/815299909.db2.gz WNMUPGPJNMHDPX-PHZGNYQRSA-N 3 1 277.456 2.077 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC13CC[NH+](CC1)CC3)C2 ZINC001172112431 815299916 /nfs/dbraw/zinc/29/99/16/815299916.db2.gz WNMUPGPJNMHDPX-PHZGNYQRSA-N 2 1 277.456 2.077 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)Nc1cc(CO)cc(C)[nH+]1 ZINC001120954986 815301076 /nfs/dbraw/zinc/30/10/76/815301076.db2.gz GYQAOINXLWABMZ-GFCCVEGCSA-N 2 1 265.401 2.415 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1c3ccccc3NC1=O)C2 ZINC001172111819 815301751 /nfs/dbraw/zinc/30/17/51/815301751.db2.gz WNOOZIMJVXZAON-AYDFFVQHSA-N 2 1 299.418 2.327 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172114070 815303723 /nfs/dbraw/zinc/30/37/23/815303723.db2.gz OTCDGLPVUKRPMC-DGXTUMSLSA-N 2 1 294.439 2.323 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172114070 815303729 /nfs/dbraw/zinc/30/37/29/815303729.db2.gz OTCDGLPVUKRPMC-DGXTUMSLSA-N 2 1 294.439 2.323 20 0 CEADMP CCC[N@H+](CCOC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113754 815304337 /nfs/dbraw/zinc/30/43/37/815304337.db2.gz LHWWJQCIMXMFKW-QDMKHBRRSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529074 809625093 /nfs/dbraw/zinc/62/50/93/809625093.db2.gz WCQJAKHXRZNJAC-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@@H+](CCOC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113754 815304343 /nfs/dbraw/zinc/30/43/43/815304343.db2.gz LHWWJQCIMXMFKW-QDMKHBRRSA-N 2 1 254.418 2.360 20 0 CEADMP CCC[NH+](CCOC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113754 815304350 /nfs/dbraw/zinc/30/43/50/815304350.db2.gz LHWWJQCIMXMFKW-QDMKHBRRSA-N 2 1 254.418 2.360 20 0 CEADMP CCC[NH+](CCOC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113754 815304355 /nfs/dbraw/zinc/30/43/55/815304355.db2.gz LHWWJQCIMXMFKW-QDMKHBRRSA-N 2 1 254.418 2.360 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1F ZINC001117953864 809664892 /nfs/dbraw/zinc/66/48/92/809664892.db2.gz SDDZQNNNBIBPGS-JQWIXIFHSA-N 2 1 252.333 2.064 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@]3(CCOC3)C1)C2 ZINC001172122237 815311629 /nfs/dbraw/zinc/31/16/29/815311629.db2.gz YCGWPVMTLKOUFC-FZKCQIBNSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@]3(CCOC3)C1)C2 ZINC001172122237 815311636 /nfs/dbraw/zinc/31/16/36/815311636.db2.gz YCGWPVMTLKOUFC-FZKCQIBNSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@]3(CCOC3)C1)C2 ZINC001172122237 815311642 /nfs/dbraw/zinc/31/16/42/815311642.db2.gz YCGWPVMTLKOUFC-FZKCQIBNSA-N 2 1 264.413 2.114 20 0 CEADMP CSC1CC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000706776182 809850948 /nfs/dbraw/zinc/85/09/48/809850948.db2.gz QVEHBNZKMSTLTG-LJZITESISA-N 2 1 254.443 2.485 20 0 CEADMP CSC1CC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000706776182 809850953 /nfs/dbraw/zinc/85/09/53/809850953.db2.gz QVEHBNZKMSTLTG-LJZITESISA-N 2 1 254.443 2.485 20 0 CEADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172162678 815325487 /nfs/dbraw/zinc/32/54/87/815325487.db2.gz YQGPFZCOCPFUCJ-FPCVCCKLSA-N 2 1 293.455 2.120 20 0 CEADMP CC(C)(C)[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000708915331 809938824 /nfs/dbraw/zinc/93/88/24/809938824.db2.gz XLFJCDXJXWRCFB-JALIKCBVSA-N 2 1 266.429 2.264 20 0 CEADMP CC1(C)C[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C(C)(C)O1 ZINC000709703527 809953927 /nfs/dbraw/zinc/95/39/27/809953927.db2.gz VEHFHTVOTMLZHX-BFHYXJOUSA-N 2 1 266.429 2.264 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C(C)(C)O1 ZINC000709703527 809953928 /nfs/dbraw/zinc/95/39/28/809953928.db2.gz VEHFHTVOTMLZHX-BFHYXJOUSA-N 2 1 266.429 2.264 20 0 CEADMP CCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001121318938 815330415 /nfs/dbraw/zinc/33/04/15/815330415.db2.gz RLBZUIPKSOUTPB-UHFFFAOYSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@@H](c3nccs3)C2)CCC[NH2+]C1 ZINC000710498199 809989089 /nfs/dbraw/zinc/98/90/89/809989089.db2.gz HKZYRDTZMWJVRZ-TZMCWYRMSA-N 2 1 265.426 2.322 20 0 CEADMP Cc1ncsc1CC[N@@H+](C)CCCCCC[NH3+] ZINC000710757570 809991845 /nfs/dbraw/zinc/99/18/45/809991845.db2.gz GWOJMHHJQCPZME-UHFFFAOYSA-N 2 1 255.431 2.445 20 0 CEADMP CO[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000710906108 809999794 /nfs/dbraw/zinc/99/97/94/809999794.db2.gz IUPBCJUGMLERSG-GFCCVEGCSA-N 2 1 266.410 2.005 20 0 CEADMP Fc1cccc(C[NH+]2CCN(CCC[NH2+]C3CC3)CC2)c1 ZINC000923371522 810088501 /nfs/dbraw/zinc/08/85/01/810088501.db2.gz BPSJXQRNQOJGHJ-UHFFFAOYSA-N 2 1 291.414 2.085 20 0 CEADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCCC2(CCCC2)C1 ZINC000923372651 810089331 /nfs/dbraw/zinc/08/93/31/810089331.db2.gz HJSGGJFOKTVGAE-CQSZACIVSA-N 2 1 264.413 2.021 20 0 CEADMP CCc1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)o1 ZINC000923383588 810089998 /nfs/dbraw/zinc/08/99/98/810089998.db2.gz UITYJJJLLXCIAO-UTUOFQBUSA-N 2 1 251.374 2.042 20 0 CEADMP CCc1ncc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)o1 ZINC000923383588 810090001 /nfs/dbraw/zinc/09/00/01/810090001.db2.gz UITYJJJLLXCIAO-UTUOFQBUSA-N 2 1 251.374 2.042 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@@H](O)CC1CCCC1)CC[NH2+]CC2 ZINC000923383900 810090068 /nfs/dbraw/zinc/09/00/68/810090068.db2.gz OBYATLVXXJFQQE-HOCLYGCPSA-N 2 1 280.456 2.392 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)no2)CC[C@@H]1C[NH3+] ZINC000923503655 810105795 /nfs/dbraw/zinc/10/57/95/810105795.db2.gz KHQHREMKMUPTCT-TZMCWYRMSA-N 2 1 286.379 2.153 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1O ZINC001206163460 815349942 /nfs/dbraw/zinc/34/99/42/815349942.db2.gz CIKTZQLIXFZJAH-CHWSQXEVSA-N 2 1 282.359 2.052 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1O ZINC001206163460 815349949 /nfs/dbraw/zinc/34/99/49/815349949.db2.gz CIKTZQLIXFZJAH-CHWSQXEVSA-N 2 1 282.359 2.052 20 0 CEADMP Cc1ccc[nH+]c1N1CCC([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172232405 815344514 /nfs/dbraw/zinc/34/45/14/815344514.db2.gz IDNSUQBXQAWWLI-ALOPSCKCSA-N 2 1 299.418 2.434 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001172249214 815357781 /nfs/dbraw/zinc/35/77/81/815357781.db2.gz GOYQIVRISNLHFO-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](C)C2)CC1 ZINC001172249214 815357787 /nfs/dbraw/zinc/35/77/87/815357787.db2.gz GOYQIVRISNLHFO-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCCC[C@@H](F)C2)CC1 ZINC001172252206 815359150 /nfs/dbraw/zinc/35/91/50/815359150.db2.gz IQIBOGFLSZOURT-CQSZACIVSA-N 2 1 272.408 2.311 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCCC[C@@H](F)C2)CC1 ZINC001172252206 815359157 /nfs/dbraw/zinc/35/91/57/815359157.db2.gz IQIBOGFLSZOURT-CQSZACIVSA-N 2 1 272.408 2.311 20 0 CEADMP O[C@]1(C[NH2+]C/C=C\C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001119003441 810395402 /nfs/dbraw/zinc/39/54/02/810395402.db2.gz MFLHESZGWRNKHC-GINYUPMKSA-N 2 1 286.419 2.179 20 0 CEADMP O[C@]1(C[NH2+]C/C=C\C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001119003441 810395406 /nfs/dbraw/zinc/39/54/06/810395406.db2.gz MFLHESZGWRNKHC-GINYUPMKSA-N 2 1 286.419 2.179 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001172334015 815393961 /nfs/dbraw/zinc/39/39/61/815393961.db2.gz BRVRZFUNZCOQFH-LTIDMASMSA-N 2 1 298.471 2.233 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001172334015 815393968 /nfs/dbraw/zinc/39/39/68/815393968.db2.gz BRVRZFUNZCOQFH-LTIDMASMSA-N 2 1 298.471 2.233 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001172334015 815393973 /nfs/dbraw/zinc/39/39/73/815393973.db2.gz BRVRZFUNZCOQFH-LTIDMASMSA-N 2 1 298.471 2.233 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001172334015 815393980 /nfs/dbraw/zinc/39/39/80/815393980.db2.gz BRVRZFUNZCOQFH-LTIDMASMSA-N 2 1 298.471 2.233 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H](O)CC[C@H]1C ZINC001258907618 810686890 /nfs/dbraw/zinc/68/68/90/810686890.db2.gz LKTFYEXMIGFYIJ-KFWWJZLASA-N 2 1 256.434 2.342 20 0 CEADMP CC[C@@H](C)OCC[C@H](C)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001172334023 815393587 /nfs/dbraw/zinc/39/35/87/815393587.db2.gz BRVRZFUNZCOQFH-VVLHAWIVSA-N 2 1 298.471 2.233 20 0 CEADMP CC[C@@H](C)OCC[C@H](C)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001172334023 815393594 /nfs/dbraw/zinc/39/35/94/815393594.db2.gz BRVRZFUNZCOQFH-VVLHAWIVSA-N 2 1 298.471 2.233 20 0 CEADMP CC[C@@H](C)OCC[C@H](C)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001172334023 815393600 /nfs/dbraw/zinc/39/36/00/815393600.db2.gz BRVRZFUNZCOQFH-VVLHAWIVSA-N 2 1 298.471 2.233 20 0 CEADMP CC[C@@H](C)OCC[C@H](C)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001172334023 815393606 /nfs/dbraw/zinc/39/36/06/815393606.db2.gz BRVRZFUNZCOQFH-VVLHAWIVSA-N 2 1 298.471 2.233 20 0 CEADMP C[N@H+]1CC=C(C[NH2+]Cc2occc2Br)CC1 ZINC000381708762 810815453 /nfs/dbraw/zinc/81/54/53/810815453.db2.gz JWZXJPQSRCETMD-UHFFFAOYSA-N 2 1 285.185 2.394 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2occc2Br)CC1 ZINC000381708762 810815459 /nfs/dbraw/zinc/81/54/59/810815459.db2.gz JWZXJPQSRCETMD-UHFFFAOYSA-N 2 1 285.185 2.394 20 0 CEADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172352708 815400310 /nfs/dbraw/zinc/40/03/10/815400310.db2.gz ILQWOCCBIHEANM-ZQDZILKHSA-N 2 1 254.418 2.074 20 0 CEADMP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001172352708 815400311 /nfs/dbraw/zinc/40/03/11/815400311.db2.gz ILQWOCCBIHEANM-ZQDZILKHSA-N 2 1 254.418 2.074 20 0 CEADMP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001172352708 815400313 /nfs/dbraw/zinc/40/03/13/815400313.db2.gz ILQWOCCBIHEANM-ZQDZILKHSA-N 2 1 254.418 2.074 20 0 CEADMP CC(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001085672629 810872310 /nfs/dbraw/zinc/87/23/10/810872310.db2.gz CLFDFLNSQUSOKN-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001085672629 810872314 /nfs/dbraw/zinc/87/23/14/810872314.db2.gz CLFDFLNSQUSOKN-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001085672629 810872323 /nfs/dbraw/zinc/87/23/23/810872323.db2.gz CLFDFLNSQUSOKN-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001085988147 810993578 /nfs/dbraw/zinc/99/35/78/810993578.db2.gz WQLVQFAQQBUSBQ-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001085988147 810993585 /nfs/dbraw/zinc/99/35/85/810993585.db2.gz WQLVQFAQQBUSBQ-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001085988147 810993591 /nfs/dbraw/zinc/99/35/91/810993591.db2.gz WQLVQFAQQBUSBQ-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155237882 811023908 /nfs/dbraw/zinc/02/39/08/811023908.db2.gz OLCRHPJAIDZLCI-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155237882 811023913 /nfs/dbraw/zinc/02/39/13/811023913.db2.gz OLCRHPJAIDZLCI-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155237882 811023918 /nfs/dbraw/zinc/02/39/18/811023918.db2.gz OLCRHPJAIDZLCI-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328483 811083366 /nfs/dbraw/zinc/08/33/66/811083366.db2.gz PWDHQJLIDOIESA-INIZCTEOSA-N 2 1 297.487 2.250 20 0 CEADMP CC(C)CCC[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273425357 811118727 /nfs/dbraw/zinc/11/87/27/811118727.db2.gz UDYYUMQJCWBTJQ-QGZVFWFLSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000379633422 811122043 /nfs/dbraw/zinc/12/20/43/811122043.db2.gz UKNGVDLNGXFQEB-KBAYOESNSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379633422 811122045 /nfs/dbraw/zinc/12/20/45/811122045.db2.gz UKNGVDLNGXFQEB-KBAYOESNSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379633422 811122048 /nfs/dbraw/zinc/12/20/48/811122048.db2.gz UKNGVDLNGXFQEB-KBAYOESNSA-N 2 1 287.451 2.333 20 0 CEADMP CC(C)COCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001172479310 815432155 /nfs/dbraw/zinc/43/21/55/815432155.db2.gz CEOGTVUDXDYHEH-HRCADAONSA-N 2 1 268.445 2.464 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168804072 811250485 /nfs/dbraw/zinc/25/04/85/811250485.db2.gz DBUVQDMZWRVXHS-ZIAGYGMSSA-N 2 1 299.459 2.445 20 0 CEADMP CC(=O)Oc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001205994373 811285554 /nfs/dbraw/zinc/28/55/54/811285554.db2.gz LEBOALBTNUBQDK-XJKSGUPXSA-N 2 1 290.407 2.419 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1COc3ccccc3O1)C2 ZINC001169095711 811366283 /nfs/dbraw/zinc/36/62/83/811366283.db2.gz RWXCJDJGSMHFOK-APIJFGDWSA-N 2 1 288.391 2.041 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1COc3ccccc3O1)C2 ZINC001169095711 811366290 /nfs/dbraw/zinc/36/62/90/811366290.db2.gz RWXCJDJGSMHFOK-APIJFGDWSA-N 2 1 288.391 2.041 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)C2 ZINC001169094054 811366604 /nfs/dbraw/zinc/36/66/04/811366604.db2.gz KGRHZHOXTGKUMQ-ZSOGYDGISA-N 2 1 297.443 2.116 20 0 CEADMP COc1cc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1O ZINC001169096408 811367144 /nfs/dbraw/zinc/36/71/44/811367144.db2.gz WCENMSLZKSVGSV-QDMKHBRRSA-N 2 1 290.407 2.158 20 0 CEADMP Cn1ncc2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc21 ZINC001169123057 811388593 /nfs/dbraw/zinc/38/85/93/811388593.db2.gz IJHVVAYADZVYBC-PHZGNYQRSA-N 2 1 284.407 2.288 20 0 CEADMP Cn1ncc2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc21 ZINC001169123056 811388822 /nfs/dbraw/zinc/38/88/22/811388822.db2.gz IJHVVAYADZVYBC-MUJYYYPQSA-N 2 1 284.407 2.288 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCC[C@@]1(C)O ZINC001169125635 811393453 /nfs/dbraw/zinc/39/34/53/811393453.db2.gz KGWLFBNUMWABJL-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC[C@@]1(C)O ZINC001169125635 811393454 /nfs/dbraw/zinc/39/34/54/811393454.db2.gz KGWLFBNUMWABJL-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC[C@@]1(C)O ZINC001169125635 811393467 /nfs/dbraw/zinc/39/34/67/811393467.db2.gz KGWLFBNUMWABJL-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP CCO[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169140979 811405205 /nfs/dbraw/zinc/40/52/05/811405205.db2.gz NJOPIFZHUBIAEC-YJNKXOJESA-N 2 1 252.402 2.113 20 0 CEADMP CCO[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169140979 811405209 /nfs/dbraw/zinc/40/52/09/811405209.db2.gz NJOPIFZHUBIAEC-YJNKXOJESA-N 2 1 252.402 2.113 20 0 CEADMP CCO[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169140979 811405213 /nfs/dbraw/zinc/40/52/13/811405213.db2.gz NJOPIFZHUBIAEC-YJNKXOJESA-N 2 1 252.402 2.113 20 0 CEADMP CCN1CCC([NH2+]CC2CC[NH+](C(C)C)CC2)CC1 ZINC001169224191 811437727 /nfs/dbraw/zinc/43/77/27/811437727.db2.gz BXCTUJMFKYDJKP-UHFFFAOYSA-N 2 1 267.461 2.181 20 0 CEADMP CCOC(=O)C[C@@H]1CC[N@@H+](C2CC[NH+](CC)CC2)C[C@@H]1C ZINC001169267939 811475315 /nfs/dbraw/zinc/47/53/15/811475315.db2.gz CQIBQVASMMDIBO-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)C[C@@H]1CC[N@H+](C2CC[NH+](CC)CC2)C[C@@H]1C ZINC001169267939 811475318 /nfs/dbraw/zinc/47/53/18/811475318.db2.gz CQIBQVASMMDIBO-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP CCCn1cnc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206011437 811509219 /nfs/dbraw/zinc/50/92/19/811509219.db2.gz CFXOEWFGYIPHAW-ZIAGYGMSSA-N 2 1 264.417 2.100 20 0 CEADMP CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100320803 811514269 /nfs/dbraw/zinc/51/42/69/811514269.db2.gz TZSJJFWXNXXMPH-UYSNPLJNSA-N 2 1 295.471 2.144 20 0 CEADMP CCCNc1nc(NCC[C@H]2CCC[NH2+]2)[nH+]cc1C ZINC001169561178 811566504 /nfs/dbraw/zinc/56/65/04/811566504.db2.gz GNTKLKWYSJBALQ-GFCCVEGCSA-N 2 1 263.389 2.161 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2c3cc[nH]c3ncc2Cl)CC[C@H]1F ZINC001206165063 815459006 /nfs/dbraw/zinc/45/90/06/815459006.db2.gz MBIHZNJDMQIBEB-CHWSQXEVSA-N 2 1 296.777 2.429 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2c3cc[nH]c3ncc2Cl)CC[C@H]1F ZINC001206165063 815459010 /nfs/dbraw/zinc/45/90/10/815459010.db2.gz MBIHZNJDMQIBEB-CHWSQXEVSA-N 2 1 296.777 2.429 20 0 CEADMP CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001045444562 811613051 /nfs/dbraw/zinc/61/30/51/811613051.db2.gz PHDHHYPKKSPUOO-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccc(-n2cc(CC[NH3+])c3ncccc32)c1F ZINC001169710013 811636796 /nfs/dbraw/zinc/63/67/96/811636796.db2.gz VBXXEOLTWCUITQ-UHFFFAOYSA-N 2 1 270.311 2.369 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(NC(C)(C)CC[NH+](C)C)nn1 ZINC001169716068 811640453 /nfs/dbraw/zinc/64/04/53/811640453.db2.gz PIXRKMAVYIGVIX-UHFFFAOYSA-N 2 1 288.399 2.113 20 0 CEADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCCC4(C3)OCCO4)C2)CC1 ZINC001169955079 811724780 /nfs/dbraw/zinc/72/47/80/811724780.db2.gz HYNYDDATUFBYQP-OAHLLOKOSA-N 2 1 294.439 2.090 20 0 CEADMP COC(=O)[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172605642 815471298 /nfs/dbraw/zinc/47/12/98/815471298.db2.gz ZOANUUYWGXIFET-UVPYHEFZSA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172605642 815471300 /nfs/dbraw/zinc/47/13/00/815471300.db2.gz ZOANUUYWGXIFET-UVPYHEFZSA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([N@H+](C)C3CC3)CC2)C1 ZINC001172623242 815486465 /nfs/dbraw/zinc/48/64/65/815486465.db2.gz ODLFQYHJAOPKAD-CJNGLKHVSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)C1 ZINC001172623242 815486466 /nfs/dbraw/zinc/48/64/66/815486466.db2.gz ODLFQYHJAOPKAD-CJNGLKHVSA-N 2 1 294.439 2.277 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc3cccc(O)c3n2)CC[C@H]1F ZINC001206174766 815493674 /nfs/dbraw/zinc/49/36/74/815493674.db2.gz PHTNNEYAJQXYFO-ZIAGYGMSSA-N 2 1 289.354 2.202 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3cccc(O)c3n2)CC[C@H]1F ZINC001206174766 815493678 /nfs/dbraw/zinc/49/36/78/815493678.db2.gz PHTNNEYAJQXYFO-ZIAGYGMSSA-N 2 1 289.354 2.202 20 0 CEADMP CCC1(CC)CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000689223172 812040474 /nfs/dbraw/zinc/04/04/74/812040474.db2.gz RJOGAAYTDYUDPV-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049548073 812164925 /nfs/dbraw/zinc/16/49/25/812164925.db2.gz BSFAUSAAJMZFLY-PMPSAXMXSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CCO1 ZINC001170176288 812324808 /nfs/dbraw/zinc/32/48/08/812324808.db2.gz VHIBKKMWECZGQE-QPSCCSFWSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001206572216 812363209 /nfs/dbraw/zinc/36/32/09/812363209.db2.gz CBYPSDBDAJTQPH-MRXNPFEDSA-N 3 1 261.413 2.096 20 0 CEADMP C[C@]1(C[NH3+])CCCCN(Cc2cccc(C[NH3+])c2)C1 ZINC001206572216 812363214 /nfs/dbraw/zinc/36/32/14/812363214.db2.gz CBYPSDBDAJTQPH-MRXNPFEDSA-N 2 1 261.413 2.096 20 0 CEADMP C[C@H](Cc1ccccc1Cl)[NH+]1CCN(CCC[NH3+])CC1 ZINC001170256964 812363753 /nfs/dbraw/zinc/36/37/53/812363753.db2.gz PKOOCADDTSKQFL-CQSZACIVSA-N 2 1 295.858 2.237 20 0 CEADMP CCCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680144 812443781 /nfs/dbraw/zinc/44/37/81/812443781.db2.gz GIFBQZAQLOMSFX-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](C2CCC(Cc3ccccc3)CC2)CCO1 ZINC001172818774 815527403 /nfs/dbraw/zinc/52/74/03/815527403.db2.gz RVXVUCCYSINAAJ-ABHNRTSZSA-N 2 1 288.435 2.447 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](C2CCC(Cc3ccccc3)CC2)CCO1 ZINC001172818774 815527405 /nfs/dbraw/zinc/52/74/05/815527405.db2.gz RVXVUCCYSINAAJ-ABHNRTSZSA-N 2 1 288.435 2.447 20 0 CEADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1(C[NH3+])CC1 ZINC001172865548 815534002 /nfs/dbraw/zinc/53/40/02/815534002.db2.gz OMVLGOUYCAMJEQ-VIFPVBQESA-N 2 1 256.752 2.491 20 0 CEADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCC1CCCCC1 ZINC001130297971 812554430 /nfs/dbraw/zinc/55/44/30/812554430.db2.gz URJSMESFJMVJSO-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP CC1CCC(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001130300416 812554630 /nfs/dbraw/zinc/55/46/30/812554630.db2.gz OXTFPLZOOZJLHV-GPANFISMSA-N 2 1 295.471 2.003 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130427604 812566629 /nfs/dbraw/zinc/56/66/29/812566629.db2.gz OBWFYKBQLOFOHS-UHFFFAOYSA-N 2 1 271.449 2.003 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001172919207 815544709 /nfs/dbraw/zinc/54/47/09/815544709.db2.gz OAYQWHHJLPQSQX-KBXIAJHMSA-N 2 1 254.418 2.406 20 0 CEADMP Cc1cc[nH+]c2cc(N[C@H](C)[C@@H]3C[NH2+]CCO3)ccc12 ZINC001170566571 812685390 /nfs/dbraw/zinc/68/53/90/812685390.db2.gz BDWJHTNXMCKKFE-WBMJQRKESA-N 2 1 271.364 2.332 20 0 CEADMP CC(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132111604 812790139 /nfs/dbraw/zinc/79/01/39/812790139.db2.gz UADNGLNFTKYASV-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132111604 812790143 /nfs/dbraw/zinc/79/01/43/812790143.db2.gz UADNGLNFTKYASV-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132111604 812790144 /nfs/dbraw/zinc/79/01/44/812790144.db2.gz UADNGLNFTKYASV-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152898 812792660 /nfs/dbraw/zinc/79/26/60/812792660.db2.gz KNFKZFVORWBOCP-UONOGXRCSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132152898 812792667 /nfs/dbraw/zinc/79/26/67/812792667.db2.gz KNFKZFVORWBOCP-UONOGXRCSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132152898 812792675 /nfs/dbraw/zinc/79/26/75/812792675.db2.gz KNFKZFVORWBOCP-UONOGXRCSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC1CCC1 ZINC001132249462 812811658 /nfs/dbraw/zinc/81/16/58/812811658.db2.gz PDSZSKPHIXFONY-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132376708 812837359 /nfs/dbraw/zinc/83/73/59/812837359.db2.gz PQTKTJGCCJGVCY-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132518915 812871841 /nfs/dbraw/zinc/87/18/41/812871841.db2.gz QBGFTOMZDYEHHG-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2CC2)C1 ZINC001132518915 812871853 /nfs/dbraw/zinc/87/18/53/812871853.db2.gz QBGFTOMZDYEHHG-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132795734 812947867 /nfs/dbraw/zinc/94/78/67/812947867.db2.gz XHBKTGBQEGDTRQ-INIZCTEOSA-N 2 1 295.471 2.289 20 0 CEADMP Cc1cccc(F)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206185358 815566997 /nfs/dbraw/zinc/56/69/97/815566997.db2.gz MXMZXOFXBUDWEV-ZIAGYGMSSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1cccc(F)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206185358 815566999 /nfs/dbraw/zinc/56/69/99/815566999.db2.gz MXMZXOFXBUDWEV-ZIAGYGMSSA-N 2 1 254.324 2.395 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173039948 815567550 /nfs/dbraw/zinc/56/75/50/815567550.db2.gz VVIRMIAJFFCMSR-AWEZNQCLSA-N 2 1 266.429 2.267 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(C)C)C1 ZINC001133253267 813020503 /nfs/dbraw/zinc/02/05/03/813020503.db2.gz FBDNLBYFUIMRFL-CVEARBPZSA-N 2 1 297.487 2.058 20 0 CEADMP CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133345320 813033473 /nfs/dbraw/zinc/03/34/73/813033473.db2.gz AAHLYVYXNIXSIY-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP C[N@@H+]1CC[C@H](NC(=[NH2+])c2ccc(F)c(Cl)c2)C1 ZINC001255423608 813129526 /nfs/dbraw/zinc/12/95/26/813129526.db2.gz XPZVGIQCSNYATM-VIFPVBQESA-N 2 1 255.724 2.098 20 0 CEADMP C[N@H+]1CC[C@H](NC(=[NH2+])c2ccc(F)c(Cl)c2)C1 ZINC001255423608 813129530 /nfs/dbraw/zinc/12/95/30/813129530.db2.gz XPZVGIQCSNYATM-VIFPVBQESA-N 2 1 255.724 2.098 20 0 CEADMP COc1cc(N2CCC3(C[NH2+]C3)CC2)[nH+]c2ccccc21 ZINC001159042284 813194696 /nfs/dbraw/zinc/19/46/96/813194696.db2.gz CJUHRDWVPAJMMP-UHFFFAOYSA-N 2 1 283.375 2.433 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCc2ncsc2C1 ZINC001173142506 815602154 /nfs/dbraw/zinc/60/21/54/815602154.db2.gz WGAKAALVJJVVSD-LBPRGKRZSA-N 2 1 267.442 2.274 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCCC(C)(C)[NH3+] ZINC000389857933 813256567 /nfs/dbraw/zinc/25/65/67/813256567.db2.gz CUPFKGCTSORVHC-GOEBONIOSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCCC(C)(C)[NH3+] ZINC000389857933 813256572 /nfs/dbraw/zinc/25/65/72/813256572.db2.gz CUPFKGCTSORVHC-GOEBONIOSA-N 2 1 275.440 2.224 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CC(C)C1 ZINC001134767027 813323717 /nfs/dbraw/zinc/32/37/17/813323717.db2.gz PYHPMTIMBARPMR-UYSNPLJNSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000395014922 813473792 /nfs/dbraw/zinc/47/37/92/813473792.db2.gz KTCXWGYDYIWYGS-RDBSUJKOSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000395014922 813473794 /nfs/dbraw/zinc/47/37/94/813473794.db2.gz KTCXWGYDYIWYGS-RDBSUJKOSA-N 2 1 254.418 2.264 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071796646 813485543 /nfs/dbraw/zinc/48/55/43/813485543.db2.gz VGLCKXLQTZFPPB-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(C)C ZINC001135980633 813577130 /nfs/dbraw/zinc/57/71/30/813577130.db2.gz QWPOOXCOKZRROV-LSDHHAIUSA-N 2 1 285.476 2.247 20 0 CEADMP Cc1cc([NH+]2CCCCC2)ccc1N[C@H]([NH3+])CCC[NH3+] ZINC001170902898 813627752 /nfs/dbraw/zinc/62/77/52/813627752.db2.gz HDWABWBRRBNACL-INIZCTEOSA-N 3 1 276.428 2.421 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccc(F)c3C2)C1 ZINC001170949532 813674154 /nfs/dbraw/zinc/67/41/54/813674154.db2.gz OTVASMCQIAAQRB-JSGCOSHPSA-N 2 1 262.372 2.224 20 0 CEADMP CC[C@@H]1CC([NH2+][C@]2(C)CCC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246111592 813704632 /nfs/dbraw/zinc/70/46/32/813704632.db2.gz JDSXXGXISFNXRY-IIAWOOMASA-N 3 1 267.461 2.417 20 0 CEADMP CCCCCC[C@H](CC)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246133384 813711193 /nfs/dbraw/zinc/71/11/93/813711193.db2.gz IRDHZUFOAKWPPH-GBJTYRQASA-N 2 1 254.418 2.312 20 0 CEADMP CC[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@]23C[NH2+]CCO3)C1 ZINC001246159895 813717116 /nfs/dbraw/zinc/71/71/16/813717116.db2.gz LLDMSKPYHODYNN-YHUYYLMFSA-N 2 1 266.429 2.456 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCCC[NH2+]C2)C1 ZINC001246171893 813718708 /nfs/dbraw/zinc/71/87/08/813718708.db2.gz UEKHJXLCXFVWQJ-OWCLPIDISA-N 2 1 267.461 2.086 20 0 CEADMP CCN1CCC([N@@H+](C)C2CCC3(CC2)OCCO3)CC1 ZINC001255627102 813801254 /nfs/dbraw/zinc/80/12/54/813801254.db2.gz OMQZWJVYFIWFBE-UHFFFAOYSA-N 2 1 282.428 2.088 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C2CCC3(CC2)OCCO3)CC1 ZINC001255627102 813801261 /nfs/dbraw/zinc/80/12/61/813801261.db2.gz OMQZWJVYFIWFBE-UHFFFAOYSA-N 2 1 282.428 2.088 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C2CCC3(CC2)OCCO3)CC1 ZINC001255627102 813801269 /nfs/dbraw/zinc/80/12/69/813801269.db2.gz OMQZWJVYFIWFBE-UHFFFAOYSA-N 2 1 282.428 2.088 20 0 CEADMP COc1ncc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1C ZINC001137006200 813824315 /nfs/dbraw/zinc/82/43/15/813824315.db2.gz INFNPRANEIDVFQ-UHFFFAOYSA-N 2 1 289.423 2.316 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171094017 813857566 /nfs/dbraw/zinc/85/75/66/813857566.db2.gz JPWKTJBNKBHCCB-ZIAGYGMSSA-N 2 1 250.773 2.230 20 0 CEADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171094017 813857577 /nfs/dbraw/zinc/85/75/77/813857577.db2.gz JPWKTJBNKBHCCB-ZIAGYGMSSA-N 2 1 250.773 2.230 20 0 CEADMP CCOC(=O)N1CCC[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246550006 814003383 /nfs/dbraw/zinc/00/33/83/814003383.db2.gz IXJWTNLFUCTFNZ-HOCLYGCPSA-N 2 1 297.443 2.201 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](C)[C@@H](N)C2)CC1 ZINC001246564274 814057983 /nfs/dbraw/zinc/05/79/83/814057983.db2.gz MFCMUQASRVBSAY-LMPOIIKSSA-N 2 1 267.461 2.309 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](C)[C@@H](N)C2)CC1 ZINC001246564274 814057989 /nfs/dbraw/zinc/05/79/89/814057989.db2.gz MFCMUQASRVBSAY-LMPOIIKSSA-N 2 1 267.461 2.309 20 0 CEADMP CC(C)[N@H+](C)[C@H]1CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144625193 814126383 /nfs/dbraw/zinc/12/63/83/814126383.db2.gz HOXRZDAZTSMFKM-AWEZNQCLSA-N 2 1 272.396 2.249 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144625193 814126388 /nfs/dbraw/zinc/12/63/88/814126388.db2.gz HOXRZDAZTSMFKM-AWEZNQCLSA-N 2 1 272.396 2.249 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@H+](C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246579336 814144758 /nfs/dbraw/zinc/14/47/58/814144758.db2.gz UPJWSVNMDHLHGU-XEZPLFJOSA-N 2 1 264.413 2.195 20 0 CEADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CCCC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246588521 814181234 /nfs/dbraw/zinc/18/12/34/814181234.db2.gz ZUEGOKFBPGAVKS-PMPSAXMXSA-N 3 1 267.461 2.214 20 0 CEADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246588521 814181238 /nfs/dbraw/zinc/18/12/38/814181238.db2.gz ZUEGOKFBPGAVKS-PMPSAXMXSA-N 3 1 267.461 2.214 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171227309 814192872 /nfs/dbraw/zinc/19/28/72/814192872.db2.gz NNVPLDLPXUESNO-HZPDHXFCSA-N 2 1 297.487 2.106 20 0 CEADMP C1C[C@@]2(CCC[NH2+]C2)[N@@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246608129 814205854 /nfs/dbraw/zinc/20/58/54/814205854.db2.gz WHPUQOCONLESOL-QGZVFWFLSA-N 3 1 277.456 2.127 20 0 CEADMP C1C[C@@]2(CCC[NH2+]C2)[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246608129 814205860 /nfs/dbraw/zinc/20/58/60/814205860.db2.gz WHPUQOCONLESOL-QGZVFWFLSA-N 3 1 277.456 2.127 20 0 CEADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246619962 814216832 /nfs/dbraw/zinc/21/68/32/814216832.db2.gz VFLKQWPRQDTIOZ-YVSFHVDLSA-N 2 1 281.488 2.473 20 0 CEADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001146590819 814298171 /nfs/dbraw/zinc/29/81/71/814298171.db2.gz BMJQIFJNNYSRLE-CABCVRRESA-N 2 1 297.487 2.390 20 0 CEADMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001102473700 814389586 /nfs/dbraw/zinc/38/95/86/814389586.db2.gz LGSSWWABLCDZSP-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380434 814494946 /nfs/dbraw/zinc/49/49/46/814494946.db2.gz WLRKRWKZFVWOQC-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398194 814498350 /nfs/dbraw/zinc/49/83/50/814498350.db2.gz HHHPVBBVCIKELI-ARFHVFGLSA-N 2 1 297.487 2.058 20 0 CEADMP CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](C(C)C)C2)[NH+](CC)CC ZINC001148286735 814551960 /nfs/dbraw/zinc/55/19/60/814551960.db2.gz XTHZBLRWPCJGNV-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171330802 814557232 /nfs/dbraw/zinc/55/72/32/814557232.db2.gz VFPYKIRRQMYKOS-GJZGRUSLSA-N 2 1 283.460 2.145 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CCCC1CCCC1 ZINC001148570741 814581583 /nfs/dbraw/zinc/58/15/83/814581583.db2.gz KSBMWRIJOXUEID-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148577810 814590332 /nfs/dbraw/zinc/59/03/32/814590332.db2.gz DWFIFGJIWALAER-UHFFFAOYSA-N 2 1 271.449 2.004 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC001148656234 814595285 /nfs/dbraw/zinc/59/52/85/814595285.db2.gz XUPGYHWSHUPJQF-CVEARBPZSA-N 2 1 297.487 2.250 20 0 CEADMP CCCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001148657550 814602578 /nfs/dbraw/zinc/60/25/78/814602578.db2.gz WZWOWSVMRGWCNQ-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCCC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001148657550 814602580 /nfs/dbraw/zinc/60/25/80/814602580.db2.gz WZWOWSVMRGWCNQ-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCCC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001148657550 814602582 /nfs/dbraw/zinc/60/25/82/814602582.db2.gz WZWOWSVMRGWCNQ-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCCCC[N@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148844529 814618241 /nfs/dbraw/zinc/61/82/41/814618241.db2.gz PMFWTDANFFSVSI-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000697042260 814645191 /nfs/dbraw/zinc/64/51/91/814645191.db2.gz OINRYRNJAKERHL-GOEBONIOSA-N 2 1 266.429 2.410 20 0 CEADMP COc1cc(Cl)cc(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)c1 ZINC001247507230 814685898 /nfs/dbraw/zinc/68/58/98/814685898.db2.gz JVLNIYVEYMFOGZ-NSHDSACASA-N 2 1 296.758 2.137 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)O2)C[C@@H]1C[NH3+] ZINC000712452124 814748953 /nfs/dbraw/zinc/74/89/53/814748953.db2.gz MFDKYSTZHQPYBJ-HZSPNIEDSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCC3(CCC3)O2)C[C@@H]1C[NH3+] ZINC000712504955 814752043 /nfs/dbraw/zinc/75/20/43/814752043.db2.gz SZPCCBCOFBZQOT-QPSCCSFWSA-N 2 1 266.429 2.393 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ncsc3C2)CC1 ZINC001173126863 815588826 /nfs/dbraw/zinc/58/88/26/815588826.db2.gz RPOJTUCASXWABW-VXGBXAGGSA-N 2 1 265.426 2.074 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCOC(F)(F)F)C[C@@H]1C[NH3+] ZINC000713420508 814851647 /nfs/dbraw/zinc/85/16/47/814851647.db2.gz IFSWEQRPQDWVMM-MXWKQRLJSA-N 2 1 268.323 2.218 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H]1CCC(C)(C)CO1)C2 ZINC000713590080 814866463 /nfs/dbraw/zinc/86/64/63/814866463.db2.gz AIWWAUHNNMURML-CWRNSKLLSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CCC(C)(C)CO1)C2 ZINC000713590080 814866469 /nfs/dbraw/zinc/86/64/69/814866469.db2.gz AIWWAUHNNMURML-CWRNSKLLSA-N 2 1 266.429 2.123 20 0 CEADMP CC1(C)CC[C@@H](C[N@@H+]2CC[NH2+]CCC2(C)C)OC1 ZINC000713586740 814866582 /nfs/dbraw/zinc/86/65/82/814866582.db2.gz NBLXUEMYJVWPOX-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP CC1(C)CC[C@@H](C[N@H+]2CC[NH2+]CCC2(C)C)OC1 ZINC000713586740 814866590 /nfs/dbraw/zinc/86/65/90/814866590.db2.gz NBLXUEMYJVWPOX-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+](C[C@H]1CCC(C)(C)CO1)C1CCC([NH3+])CC1 ZINC000713596861 814867685 /nfs/dbraw/zinc/86/76/85/814867685.db2.gz PZZQCQMCXWVERI-JXQTWKCFSA-N 2 1 254.418 2.393 20 0 CEADMP CC[NH+](CC)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001116742529 814878757 /nfs/dbraw/zinc/87/87/57/814878757.db2.gz VJKOOEYRTRNCTA-OAHLLOKOSA-N 2 1 254.418 2.362 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1C(F)(F)F ZINC000714805660 814915664 /nfs/dbraw/zinc/91/56/64/814915664.db2.gz ZMBAUCSJBAKJMH-NDBYEHHHSA-N 2 1 276.346 2.492 20 0 CEADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2CCO[C@@H](C)C2)CC1 ZINC001173173510 815615477 /nfs/dbraw/zinc/61/54/77/815615477.db2.gz KIYZBTUCTHTQTI-BHYGNILZSA-N 2 1 296.455 2.129 20 0 CEADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC001173171235 815622491 /nfs/dbraw/zinc/62/24/91/815622491.db2.gz IWIPRSDSQMWGHN-BARDWOONSA-N 2 1 254.418 2.262 20 0 CEADMP CC[N@H+]1CC[C@@H](N[C@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001173349443 815685368 /nfs/dbraw/zinc/68/53/68/815685368.db2.gz GIQKSACJQVWDOY-IAGOWNOFSA-N 2 1 275.440 2.363 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(OC(C)=O)c1 ZINC001138045234 815722372 /nfs/dbraw/zinc/72/23/72/815722372.db2.gz IWZVVWMRFOFXKF-UHFFFAOYSA-N 2 1 278.396 2.386 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(OC(C)=O)c1 ZINC001138045234 815722377 /nfs/dbraw/zinc/72/23/77/815722377.db2.gz IWZVVWMRFOFXKF-UHFFFAOYSA-N 2 1 278.396 2.386 20 0 CEADMP COC(=O)CCCC[C@@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001173459113 815739076 /nfs/dbraw/zinc/73/90/76/815739076.db2.gz MDYULPYXTWNVMT-CQSZACIVSA-N 2 1 282.428 2.278 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173623347 815766874 /nfs/dbraw/zinc/76/68/74/815766874.db2.gz SAFITYJNDOUPJY-KBPBESRZSA-N 2 1 270.417 2.169 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H](n2cc[nH+]c2CCC[NH3+])C1 ZINC001173651954 815792985 /nfs/dbraw/zinc/79/29/85/815792985.db2.gz PNQONSWYERQVPQ-OLZOCXBDSA-N 2 1 279.384 2.069 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001138769005 815892268 /nfs/dbraw/zinc/89/22/68/815892268.db2.gz HOSHJZHPUYYVOC-BHYGNILZSA-N 2 1 292.398 2.417 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001138769005 815892276 /nfs/dbraw/zinc/89/22/76/815892276.db2.gz HOSHJZHPUYYVOC-BHYGNILZSA-N 2 1 292.398 2.417 20 0 CEADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc2ccccc2o1 ZINC001139064777 815952419 /nfs/dbraw/zinc/95/24/19/815952419.db2.gz JQSIFSLJLBAHOF-UHFFFAOYSA-N 2 1 287.407 2.112 20 0 CEADMP CN(c1ccc(C[NH+]2CCOCC2)cc1)c1cc(N)cc[nH+]1 ZINC001174445412 816003194 /nfs/dbraw/zinc/00/31/94/816003194.db2.gz HJDCLSOBXNOLPB-UHFFFAOYSA-N 2 1 298.390 2.264 20 0 CEADMP CC(=O)C[N@@H+](C)Cc1ccccc1-n1ccnc1C ZINC001140020774 816167715 /nfs/dbraw/zinc/16/77/15/816167715.db2.gz CSKDQLMTRMLHDU-UHFFFAOYSA-N 2 1 257.337 2.202 20 0 CEADMP CC(=O)C[N@H+](C)Cc1ccccc1-n1ccnc1C ZINC001140020774 816167716 /nfs/dbraw/zinc/16/77/16/816167716.db2.gz CSKDQLMTRMLHDU-UHFFFAOYSA-N 2 1 257.337 2.202 20 0 CEADMP Cc1nccn1-c1ccccc1C[N@@H+]1CCCN(C)CC1 ZINC001140023450 816169540 /nfs/dbraw/zinc/16/95/40/816169540.db2.gz OXQXTBNRARUOQA-UHFFFAOYSA-N 2 1 284.407 2.318 20 0 CEADMP C[NH+](C)CCOc1cc(F)ccc1NC1=CCC[N@@H+](C)C1 ZINC001175583053 816225854 /nfs/dbraw/zinc/22/58/54/816225854.db2.gz YBEVLZUICKSHGE-UHFFFAOYSA-N 2 1 293.386 2.397 20 0 CEADMP Cc1[nH+]cc(Nc2cccc(C[NH+]3CCOCC3)c2)n1C ZINC001175857687 816297566 /nfs/dbraw/zinc/29/75/66/816297566.db2.gz MYOGZNAWMKLFIU-UHFFFAOYSA-N 2 1 286.379 2.304 20 0 CEADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC2CCCCCC2)C1 ZINC001176056352 816343893 /nfs/dbraw/zinc/34/38/93/816343893.db2.gz GVLHCHDPHLQNDH-MRXNPFEDSA-N 2 1 295.471 2.004 20 0 CEADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176167336 816358710 /nfs/dbraw/zinc/35/87/10/816358710.db2.gz YDTVELRGRKSAOD-CVEARBPZSA-N 2 1 297.487 2.249 20 0 CEADMP CC(C)(O)[C@H]1CCC[N@H+]1Cc1c[nH]c2ccncc12 ZINC001140804986 816361061 /nfs/dbraw/zinc/36/10/61/816361061.db2.gz MWVUKRXZAULSJW-CQSZACIVSA-N 2 1 259.353 2.298 20 0 CEADMP CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cnc2cc[nH]cc1-2 ZINC001140804986 816361069 /nfs/dbraw/zinc/36/10/69/816361069.db2.gz MWVUKRXZAULSJW-CQSZACIVSA-N 2 1 259.353 2.298 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(OC)c(N)c3)C[C@@H]2C1 ZINC001140902050 816406209 /nfs/dbraw/zinc/40/62/09/816406209.db2.gz SVUUHAQBTSTTDI-GJZGRUSLSA-N 2 1 289.423 2.051 20 0 CEADMP CC[N@@H+](Cc1ccccc1N1CC[NH+](C)CC1)C1CC1 ZINC001140968159 816425348 /nfs/dbraw/zinc/42/53/48/816425348.db2.gz HTPOGNRUXLQGEH-UHFFFAOYSA-N 2 1 273.424 2.423 20 0 CEADMP C[NH+](C)CCO[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001206288469 816502967 /nfs/dbraw/zinc/50/29/67/816502967.db2.gz XUNJCGFUUVXVFK-OAHLLOKOSA-N 2 1 280.387 2.368 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CCCC1CCC1 ZINC001176975245 816503471 /nfs/dbraw/zinc/50/34/71/816503471.db2.gz NKEHFKUJSYPDES-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP Cc1cc(Cl)ccc1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001141229603 816507876 /nfs/dbraw/zinc/50/78/76/816507876.db2.gz IJRYEKPAKAIRDK-UHFFFAOYSA-N 2 1 295.858 2.328 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccnn2C)C1 ZINC001177298878 816539837 /nfs/dbraw/zinc/53/98/37/816539837.db2.gz HJYBUGXJIWOBTB-AWEZNQCLSA-N 2 1 264.417 2.022 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001178472534 816750292 /nfs/dbraw/zinc/75/02/92/816750292.db2.gz XYAXYZJIGWIKFS-HNNXBMFYSA-N 2 1 283.460 2.145 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178483469 816752561 /nfs/dbraw/zinc/75/25/61/816752561.db2.gz BCQDSWAVCAPJBU-HOTGVXAUSA-N 2 1 295.471 2.147 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178811092 816797141 /nfs/dbraw/zinc/79/71/41/816797141.db2.gz QGZHSZYTGKAZIO-HZPDHXFCSA-N 2 1 295.471 2.289 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(Cc3scc4c3OCCO4)C2)C1 ZINC001143191232 816806089 /nfs/dbraw/zinc/80/60/89/816806089.db2.gz XWQUVMRDFAVCJT-OAHLLOKOSA-N 2 1 294.420 2.047 20 0 CEADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001179590246 816881014 /nfs/dbraw/zinc/88/10/14/816881014.db2.gz FOLXFRVUSYDALS-CVEARBPZSA-N 2 1 297.487 2.106 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000601267803 346807061 /nfs/dbraw/zinc/80/70/61/346807061.db2.gz VCDRZZRMSVWLDW-YGONEPDPSA-N 2 1 293.411 2.149 20 0 CEADMP CCCC[C@@H](C)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000337486768 214112799 /nfs/dbraw/zinc/11/27/99/214112799.db2.gz ADRWUPYUZZLYDK-OAHLLOKOSA-N 2 1 297.487 2.297 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449106006 282102101 /nfs/dbraw/zinc/10/21/01/282102101.db2.gz JZIBHUHJJVOVDF-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000336525832 365597117 /nfs/dbraw/zinc/59/71/17/365597117.db2.gz HPPQACUEYBBVCD-LRDDRELGSA-N 2 1 272.396 2.335 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c[nH]nc2c1 ZINC000336525832 365597120 /nfs/dbraw/zinc/59/71/20/365597120.db2.gz HPPQACUEYBBVCD-LRDDRELGSA-N 2 1 272.396 2.335 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c[nH]nc2c1 ZINC000336525832 365597126 /nfs/dbraw/zinc/59/71/26/365597126.db2.gz HPPQACUEYBBVCD-LRDDRELGSA-N 2 1 272.396 2.335 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000336525832 365597130 /nfs/dbraw/zinc/59/71/30/365597130.db2.gz HPPQACUEYBBVCD-LRDDRELGSA-N 2 1 272.396 2.335 20 0 CEADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000336525833 365597751 /nfs/dbraw/zinc/59/77/51/365597751.db2.gz HPPQACUEYBBVCD-MLGOLLRUSA-N 2 1 272.396 2.335 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c[nH]nc2c1 ZINC000336525833 365597754 /nfs/dbraw/zinc/59/77/54/365597754.db2.gz HPPQACUEYBBVCD-MLGOLLRUSA-N 2 1 272.396 2.335 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c[nH]nc2c1 ZINC000336525833 365597757 /nfs/dbraw/zinc/59/77/57/365597757.db2.gz HPPQACUEYBBVCD-MLGOLLRUSA-N 2 1 272.396 2.335 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000336525833 365597759 /nfs/dbraw/zinc/59/77/59/365597759.db2.gz HPPQACUEYBBVCD-MLGOLLRUSA-N 2 1 272.396 2.335 20 0 CEADMP COC[C@H]([NH2+]CCC[NH2+]C(C)C)c1ccccc1 ZINC000567639495 299069715 /nfs/dbraw/zinc/06/97/15/299069715.db2.gz UUHBEVVVOGXUEB-HNNXBMFYSA-N 2 1 250.386 2.352 20 0 CEADMP CCC[NH2+][C@@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000449127022 282110766 /nfs/dbraw/zinc/11/07/66/282110766.db2.gz WADHSBCQZOGTGD-GJZGRUSLSA-N 2 1 297.487 2.391 20 0 CEADMP Cc1ncc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000336555081 365639805 /nfs/dbraw/zinc/63/98/05/365639805.db2.gz XOQGJSMKNKHCFU-TZMCWYRMSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)s1 ZINC000336555081 365639811 /nfs/dbraw/zinc/63/98/11/365639811.db2.gz XOQGJSMKNKHCFU-TZMCWYRMSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)s1 ZINC000336555081 365639815 /nfs/dbraw/zinc/63/98/15/365639815.db2.gz XOQGJSMKNKHCFU-TZMCWYRMSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)s1 ZINC000336555081 365639818 /nfs/dbraw/zinc/63/98/18/365639818.db2.gz XOQGJSMKNKHCFU-TZMCWYRMSA-N 2 1 265.426 2.368 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C)(CC)CC2)CC1 ZINC000337689912 214217528 /nfs/dbraw/zinc/21/75/28/214217528.db2.gz NKKFXTCMECWDQW-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCOc1cncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000621330110 349563395 /nfs/dbraw/zinc/56/33/95/349563395.db2.gz ZKBRPOVWAHKPIN-GJZGRUSLSA-N 2 1 275.396 2.197 20 0 CEADMP CCOc1cncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000621330110 349563398 /nfs/dbraw/zinc/56/33/98/349563398.db2.gz ZKBRPOVWAHKPIN-GJZGRUSLSA-N 2 1 275.396 2.197 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCOCC1CC1 ZINC000125210409 187175023 /nfs/dbraw/zinc/17/50/23/187175023.db2.gz PWLCIJNJNHJFBH-UHFFFAOYSA-N 2 1 265.401 2.330 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCOCC1CC1 ZINC000125210409 187175024 /nfs/dbraw/zinc/17/50/24/187175024.db2.gz PWLCIJNJNHJFBH-UHFFFAOYSA-N 2 1 265.401 2.330 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1CO ZINC000621369233 349581668 /nfs/dbraw/zinc/58/16/68/349581668.db2.gz KDEXFOHCTYBCES-HOCLYGCPSA-N 2 1 285.391 2.323 20 0 CEADMP Cc1cc(C)cc(C[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000567691087 299076625 /nfs/dbraw/zinc/07/66/25/299076625.db2.gz OZBMKJNVRJRQNU-QAPCUYQASA-N 2 1 290.451 2.279 20 0 CEADMP Cc1cc(C)cc(C[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000567691087 299076627 /nfs/dbraw/zinc/07/66/27/299076627.db2.gz OZBMKJNVRJRQNU-QAPCUYQASA-N 2 1 290.451 2.279 20 0 CEADMP CC(C)(C)n1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000037649459 361917977 /nfs/dbraw/zinc/91/79/77/361917977.db2.gz HOXGQYOPODIMTG-CYBMUJFWSA-N 2 1 276.428 2.212 20 0 CEADMP CC(C)(C)n1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000037649459 361917979 /nfs/dbraw/zinc/91/79/79/361917979.db2.gz HOXGQYOPODIMTG-CYBMUJFWSA-N 2 1 276.428 2.212 20 0 CEADMP CCN(C)c1ccc(C[NH2+]CCCn2cc[nH+]c2C)cn1 ZINC000337947902 214327591 /nfs/dbraw/zinc/32/75/91/214327591.db2.gz GDZFXXHWHZENHI-UHFFFAOYSA-N 2 1 287.411 2.223 20 0 CEADMP CC1CC[NH+](CCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000040771920 361997321 /nfs/dbraw/zinc/99/73/21/361997321.db2.gz OTRQIZTYPARYIU-HRCADAONSA-N 2 1 267.461 2.037 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000040771920 361997325 /nfs/dbraw/zinc/99/73/25/361997325.db2.gz OTRQIZTYPARYIU-HRCADAONSA-N 2 1 267.461 2.037 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000040771920 361997327 /nfs/dbraw/zinc/99/73/27/361997327.db2.gz OTRQIZTYPARYIU-HRCADAONSA-N 2 1 267.461 2.037 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2C)C1(C)C ZINC000338010072 214359305 /nfs/dbraw/zinc/35/93/05/214359305.db2.gz DIJSTDJNXYSBIF-KBPBESRZSA-N 2 1 265.401 2.375 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621648878 349650145 /nfs/dbraw/zinc/65/01/45/349650145.db2.gz AZZXSCDETFGNJW-JKSUJKDBSA-N 2 1 295.471 2.147 20 0 CEADMP CCCc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000621720122 349676266 /nfs/dbraw/zinc/67/62/66/349676266.db2.gz LAGVNHJKLLNERL-TXEJJXNPSA-N 2 1 250.411 2.352 20 0 CEADMP C[NH+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000357199128 282183017 /nfs/dbraw/zinc/18/30/17/282183017.db2.gz PHKDRSFLBJHFEV-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@@H+](CCC[NH2+][C@H]1CCCOC1)Cc1ccccc1 ZINC000070463752 539174511 /nfs/dbraw/zinc/17/45/11/539174511.db2.gz RBNGJUPRFFYCGZ-INIZCTEOSA-N 2 1 262.397 2.277 20 0 CEADMP C[N@@H+](CCC[NH2+][C@@H]1CCCOC1)C1CCCCC1 ZINC000070464837 539174719 /nfs/dbraw/zinc/17/47/19/539174719.db2.gz STFPKWKSPDPXAY-CQSZACIVSA-N 2 1 254.418 2.410 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCCC[C@@H]1O ZINC000125818318 187201544 /nfs/dbraw/zinc/20/15/44/187201544.db2.gz XKXJGVIABINCOM-KFWWJZLASA-N 2 1 254.418 2.096 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCCC[C@@H]1O ZINC000125818318 187201545 /nfs/dbraw/zinc/20/15/45/187201545.db2.gz XKXJGVIABINCOM-KFWWJZLASA-N 2 1 254.418 2.096 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCCC[C@@H]1O ZINC000125818318 187201546 /nfs/dbraw/zinc/20/15/46/187201546.db2.gz XKXJGVIABINCOM-KFWWJZLASA-N 2 1 254.418 2.096 20 0 CEADMP Cc1nn(C)cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000125936655 365692020 /nfs/dbraw/zinc/69/20/20/365692020.db2.gz OFHHQZNMIFCHQP-UHFFFAOYSA-N 2 1 264.417 2.127 20 0 CEADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cnn(C)c1 ZINC000125915470 187204906 /nfs/dbraw/zinc/20/49/06/187204906.db2.gz BMZWNTBAWDCJRM-TZMCWYRMSA-N 2 1 266.433 2.437 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cn1 ZINC000621776392 349698438 /nfs/dbraw/zinc/69/84/38/349698438.db2.gz KHVAPFMCQPUAKB-AWEZNQCLSA-N 2 1 263.385 2.087 20 0 CEADMP CCc1nn(C)cc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000092368570 539231370 /nfs/dbraw/zinc/23/13/70/539231370.db2.gz RLLQHJHPIWNPNU-UHFFFAOYSA-N 2 1 278.444 2.193 20 0 CEADMP Cc1noc(C)c1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166539087 539247539 /nfs/dbraw/zinc/24/75/39/539247539.db2.gz ZOPOREXEFTWAFU-UONOGXRCSA-N 2 1 263.385 2.050 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CC[C@H]4COC[C@H]4C3)n21 ZINC000668706588 539242613 /nfs/dbraw/zinc/24/26/13/539242613.db2.gz SXQUXBXJWPJQQE-UONOGXRCSA-N 2 1 271.364 2.111 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc3c1CCC3)C2 ZINC000622004168 349764659 /nfs/dbraw/zinc/76/46/59/349764659.db2.gz LNOBNVNLKUSGHO-NVXWUHKLSA-N 2 1 256.393 2.489 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc3c1CCC3)C2 ZINC000622004168 349764663 /nfs/dbraw/zinc/76/46/63/349764663.db2.gz LNOBNVNLKUSGHO-NVXWUHKLSA-N 2 1 256.393 2.489 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000567752425 299085921 /nfs/dbraw/zinc/08/59/21/299085921.db2.gz KJKQWWRAGMUSAK-HUUCEWRRSA-N 3 1 255.450 2.358 20 0 CEADMP c1ccc(C[NH+]2CCC([NH2+]C3CSC3)CC2)cc1 ZINC000307663630 539264675 /nfs/dbraw/zinc/26/46/75/539264675.db2.gz XPGHQIHNTYLMLG-UHFFFAOYSA-N 2 1 262.422 2.356 20 0 CEADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668820673 539278252 /nfs/dbraw/zinc/27/82/52/539278252.db2.gz XHXDDZSSAGKJFR-YUELXQCFSA-N 2 1 268.470 2.450 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000312064236 539287199 /nfs/dbraw/zinc/28/71/99/539287199.db2.gz JYGMHHONWOFROK-HZPDHXFCSA-N 2 1 268.445 2.390 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCCC1 ZINC000312064236 539287200 /nfs/dbraw/zinc/28/72/00/539287200.db2.gz JYGMHHONWOFROK-HZPDHXFCSA-N 2 1 268.445 2.390 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000226544174 539289158 /nfs/dbraw/zinc/28/91/58/539289158.db2.gz OHEBXMZVGQTOKT-UKRRQHHQSA-N 2 1 254.418 2.408 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000226544174 539289160 /nfs/dbraw/zinc/28/91/60/539289160.db2.gz OHEBXMZVGQTOKT-UKRRQHHQSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)CCOCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000045094127 362158082 /nfs/dbraw/zinc/15/80/82/362158082.db2.gz YLYNXBMQPGXADV-RBSFLKMASA-N 2 1 256.434 2.367 20 0 CEADMP C[NH+](C)[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])c1cccs1 ZINC000089140475 282249459 /nfs/dbraw/zinc/24/94/59/282249459.db2.gz ZLMGBTZAIXPGEQ-HZSPNIEDSA-N 2 1 281.469 2.458 20 0 CEADMP CCCCCNC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047968831 362236136 /nfs/dbraw/zinc/23/61/36/362236136.db2.gz SNISSYQBCCIVMF-UHFFFAOYSA-N 2 1 295.471 2.101 20 0 CEADMP CCC(CC)[C@H](CN[C@@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000343268799 282276680 /nfs/dbraw/zinc/27/66/80/282276680.db2.gz GOVZPBJMJUKYSS-OIISXLGYSA-N 2 1 281.488 2.427 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@@H]1CN(C)C[C@H]1C)[NH+]1CCCC1 ZINC000343268799 282276683 /nfs/dbraw/zinc/27/66/83/282276683.db2.gz GOVZPBJMJUKYSS-OIISXLGYSA-N 2 1 281.488 2.427 20 0 CEADMP C[N@@H+](CCN[C@@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCC1 ZINC000128037501 365773040 /nfs/dbraw/zinc/77/30/40/365773040.db2.gz RSMPBMDSEKHIOW-GDBMZVCRSA-N 2 1 265.445 2.077 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000128037501 365773045 /nfs/dbraw/zinc/77/30/45/365773045.db2.gz RSMPBMDSEKHIOW-GDBMZVCRSA-N 2 1 265.445 2.077 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000128037501 365773049 /nfs/dbraw/zinc/77/30/49/365773049.db2.gz RSMPBMDSEKHIOW-GDBMZVCRSA-N 2 1 265.445 2.077 20 0 CEADMP CO[C@H](C)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336721780 365785452 /nfs/dbraw/zinc/78/54/52/365785452.db2.gz UWAKHIYPATWLLI-BPQIPLTHSA-N 2 1 288.435 2.475 20 0 CEADMP CO[C@H](C)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336721780 365785455 /nfs/dbraw/zinc/78/54/55/365785455.db2.gz UWAKHIYPATWLLI-BPQIPLTHSA-N 2 1 288.435 2.475 20 0 CEADMP CO[C@H](C)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336721798 365785187 /nfs/dbraw/zinc/78/51/87/365785187.db2.gz UWAKHIYPATWLLI-NXHRZFHOSA-N 2 1 288.435 2.475 20 0 CEADMP CO[C@H](C)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336721798 365785195 /nfs/dbraw/zinc/78/51/95/365785195.db2.gz UWAKHIYPATWLLI-NXHRZFHOSA-N 2 1 288.435 2.475 20 0 CEADMP CO[C@H](C)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336721798 365785201 /nfs/dbraw/zinc/78/52/01/365785201.db2.gz UWAKHIYPATWLLI-NXHRZFHOSA-N 2 1 288.435 2.475 20 0 CEADMP CO[C@H](C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336721780 365785460 /nfs/dbraw/zinc/78/54/60/365785460.db2.gz UWAKHIYPATWLLI-BPQIPLTHSA-N 2 1 288.435 2.475 20 0 CEADMP C[C@@H](NC[C@H](C)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449558644 282283144 /nfs/dbraw/zinc/28/31/44/282283144.db2.gz YTHQAHJLZRWMTM-JZXOWHBKSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449558644 282283147 /nfs/dbraw/zinc/28/31/47/282283147.db2.gz YTHQAHJLZRWMTM-JZXOWHBKSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449558644 282283149 /nfs/dbraw/zinc/28/31/49/282283149.db2.gz YTHQAHJLZRWMTM-JZXOWHBKSA-N 2 1 289.467 2.437 20 0 CEADMP COc1cccc(C[NH2+]CCCn2cc[nH+]c2C)c1OC ZINC000069753965 343790693 /nfs/dbraw/zinc/79/06/93/343790693.db2.gz GQFMVUFAEDHJSJ-UHFFFAOYSA-N 2 1 289.379 2.389 20 0 CEADMP C[N@@H+](CCCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411695557 529893856 /nfs/dbraw/zinc/89/38/56/529893856.db2.gz OZMQPLPLUFGUCT-UHFFFAOYSA-N 2 1 276.424 2.487 20 0 CEADMP CC(C)C[N@H+](C[C@H](O)C[NH+](C)C1CC1)CC(C)(C)C ZINC000351543574 219121118 /nfs/dbraw/zinc/12/11/18/219121118.db2.gz SJURWUMPZJGEAX-OAHLLOKOSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)C[N@@H+](C[C@H](O)C[NH+](C)C1CC1)CC(C)(C)C ZINC000351543574 219121120 /nfs/dbraw/zinc/12/11/20/219121120.db2.gz SJURWUMPZJGEAX-OAHLLOKOSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)C[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC(C)(C)C ZINC000351543574 219121122 /nfs/dbraw/zinc/12/11/22/219121122.db2.gz SJURWUMPZJGEAX-OAHLLOKOSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC(C)(C)C ZINC000351543574 219121125 /nfs/dbraw/zinc/12/11/25/219121125.db2.gz SJURWUMPZJGEAX-OAHLLOKOSA-N 2 1 270.461 2.446 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081632300 344060907 /nfs/dbraw/zinc/06/09/07/344060907.db2.gz UJCPINOONOLOCL-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CCOCCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081632300 344060909 /nfs/dbraw/zinc/06/09/09/344060909.db2.gz UJCPINOONOLOCL-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CCOCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081632300 344060910 /nfs/dbraw/zinc/06/09/10/344060910.db2.gz UJCPINOONOLOCL-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP COCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000092043089 344176272 /nfs/dbraw/zinc/17/62/72/344176272.db2.gz MWFDJDYEVWSPSA-BBRMVZONSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000092043089 344176275 /nfs/dbraw/zinc/17/62/75/344176275.db2.gz MWFDJDYEVWSPSA-BBRMVZONSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)o1 ZINC000092043089 344176277 /nfs/dbraw/zinc/17/62/77/344176277.db2.gz MWFDJDYEVWSPSA-BBRMVZONSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)o1 ZINC000092043089 344176281 /nfs/dbraw/zinc/17/62/81/344176281.db2.gz MWFDJDYEVWSPSA-BBRMVZONSA-N 2 1 278.396 2.342 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000090972110 344147847 /nfs/dbraw/zinc/14/78/47/344147847.db2.gz HWPCNLQTTPVYSB-ABAIWWIYSA-N 2 1 266.360 2.264 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000090972110 344147849 /nfs/dbraw/zinc/14/78/49/344147849.db2.gz HWPCNLQTTPVYSB-ABAIWWIYSA-N 2 1 266.360 2.264 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)cc12 ZINC000351590561 219138021 /nfs/dbraw/zinc/13/80/21/219138021.db2.gz WWTLTIAUUBGQOU-CYBMUJFWSA-N 2 1 287.411 2.040 20 0 CEADMP Cc1[nH]nc2ncc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)cc12 ZINC000351590561 219138023 /nfs/dbraw/zinc/13/80/23/219138023.db2.gz WWTLTIAUUBGQOU-CYBMUJFWSA-N 2 1 287.411 2.040 20 0 CEADMP Cc1[nH]nc2ncc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)cc12 ZINC000351590561 219138026 /nfs/dbraw/zinc/13/80/26/219138026.db2.gz WWTLTIAUUBGQOU-CYBMUJFWSA-N 2 1 287.411 2.040 20 0 CEADMP Cc1[nH]nc2ncc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)cc12 ZINC000351590561 219138028 /nfs/dbraw/zinc/13/80/28/219138028.db2.gz WWTLTIAUUBGQOU-CYBMUJFWSA-N 2 1 287.411 2.040 20 0 CEADMP C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000151007560 344419403 /nfs/dbraw/zinc/41/94/03/344419403.db2.gz MWNWRXJEAJFASL-ZDUSSCGKSA-N 2 1 284.444 2.380 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246989179 344619023 /nfs/dbraw/zinc/61/90/23/344619023.db2.gz JIBBSXGQCCMXEM-LJIZCISZSA-N 2 1 267.461 2.178 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246989179 344619025 /nfs/dbraw/zinc/61/90/25/344619025.db2.gz JIBBSXGQCCMXEM-LJIZCISZSA-N 3 1 267.461 2.178 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246989179 344619028 /nfs/dbraw/zinc/61/90/28/344619028.db2.gz JIBBSXGQCCMXEM-LJIZCISZSA-N 3 1 267.461 2.178 20 0 CEADMP COC(=O)c1cc(C[NH2+]CCC[NH+]2CCCCC2)[nH]c1C ZINC000602515797 347063418 /nfs/dbraw/zinc/06/34/18/347063418.db2.gz ZUTJPJLQVBBQTR-UHFFFAOYSA-N 2 1 293.411 2.075 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2occc21 ZINC000248749408 344625117 /nfs/dbraw/zinc/62/51/17/344625117.db2.gz BOXRVENKXKAFMD-HOCLYGCPSA-N 2 1 292.423 2.484 20 0 CEADMP C[C@@H]1C[C@H](N2CCC[C@@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000307691331 344724312 /nfs/dbraw/zinc/72/43/12/344724312.db2.gz PEIVLPYTZYARDB-OIISXLGYSA-N 2 1 273.424 2.073 20 0 CEADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000341999447 344771605 /nfs/dbraw/zinc/77/16/05/344771605.db2.gz JLZNKNBRBOJQLZ-JKJDWNRSSA-N 2 1 268.445 2.366 20 0 CEADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550681392 539416320 /nfs/dbraw/zinc/41/63/20/539416320.db2.gz ZARUBWCWTXVABP-BRWVUGGUSA-N 2 1 276.424 2.428 20 0 CEADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550681392 539416322 /nfs/dbraw/zinc/41/63/22/539416322.db2.gz ZARUBWCWTXVABP-BRWVUGGUSA-N 2 1 276.424 2.428 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000584662682 344974995 /nfs/dbraw/zinc/97/49/95/344974995.db2.gz HJYWHJQJSDWVEG-XJKSGUPXSA-N 2 1 284.407 2.492 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000584662682 344974996 /nfs/dbraw/zinc/97/49/96/344974996.db2.gz HJYWHJQJSDWVEG-XJKSGUPXSA-N 2 1 284.407 2.492 20 0 CEADMP CC(C)COc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000588671595 345051035 /nfs/dbraw/zinc/05/10/35/345051035.db2.gz QBWUGVLATZTWHI-IYBDPMFKSA-N 2 1 274.408 2.373 20 0 CEADMP CC(C)COc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000588671595 345051038 /nfs/dbraw/zinc/05/10/38/345051038.db2.gz QBWUGVLATZTWHI-IYBDPMFKSA-N 2 1 274.408 2.373 20 0 CEADMP COC[C@@]1(C)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668203477 539441556 /nfs/dbraw/zinc/44/15/56/539441556.db2.gz JVCNJENJWGNYDP-INIZCTEOSA-N 2 1 286.379 2.126 20 0 CEADMP COC[C@@]1(C)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668203477 539441558 /nfs/dbraw/zinc/44/15/58/539441558.db2.gz JVCNJENJWGNYDP-INIZCTEOSA-N 2 1 286.379 2.126 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000589642790 345091545 /nfs/dbraw/zinc/09/15/45/345091545.db2.gz MKSNSWWTMVMCGM-UHFFFAOYSA-N 2 1 269.352 2.248 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000589642790 345091548 /nfs/dbraw/zinc/09/15/48/345091548.db2.gz MKSNSWWTMVMCGM-UHFFFAOYSA-N 2 1 269.352 2.248 20 0 CEADMP c1ccc2c(c1)n[nH]c2C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000589641816 345091770 /nfs/dbraw/zinc/09/17/70/345091770.db2.gz SCFZWAIDTKERAB-QWHCGFSZSA-N 2 1 270.380 2.279 20 0 CEADMP c1ccc2c(c1)n[nH]c2C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000589641816 345091771 /nfs/dbraw/zinc/09/17/71/345091771.db2.gz SCFZWAIDTKERAB-QWHCGFSZSA-N 2 1 270.380 2.279 20 0 CEADMP CS[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](SC)C2)C1 ZINC000590750042 345173651 /nfs/dbraw/zinc/17/36/51/345173651.db2.gz PYTACVXRMWQPEY-LSMGEYOZSA-N 2 1 286.510 2.417 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)[C@@H]1SC ZINC000592395124 345349508 /nfs/dbraw/zinc/34/95/08/345349508.db2.gz PEMQOPZVFNKCKT-RYPNDVFKSA-N 2 1 286.485 2.215 20 0 CEADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000592430640 345352500 /nfs/dbraw/zinc/35/25/00/345352500.db2.gz ZSTKVJGPHCNORF-AWEZNQCLSA-N 2 1 282.428 2.041 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000568168924 299119310 /nfs/dbraw/zinc/11/93/10/299119310.db2.gz WPKCNWWGKQRCNZ-UHFFFAOYSA-N 2 1 268.364 2.356 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000568168924 299119312 /nfs/dbraw/zinc/11/93/12/299119312.db2.gz WPKCNWWGKQRCNZ-UHFFFAOYSA-N 2 1 268.364 2.356 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cc(C(=O)OC)sc2C)CC[C@@H]1[NH3+] ZINC000592488232 345359563 /nfs/dbraw/zinc/35/95/63/345359563.db2.gz HICXDWROOUZUQE-YPMHNXCESA-N 2 1 296.436 2.402 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cc(C(=O)OC)sc2C)CC[C@@H]1[NH3+] ZINC000592488232 345359565 /nfs/dbraw/zinc/35/95/65/345359565.db2.gz HICXDWROOUZUQE-YPMHNXCESA-N 2 1 296.436 2.402 20 0 CEADMP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492325 345360353 /nfs/dbraw/zinc/36/03/53/345360353.db2.gz YJCHMKPVCDEALZ-HRCADAONSA-N 2 1 296.455 2.430 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229333461 539464005 /nfs/dbraw/zinc/46/40/05/539464005.db2.gz FTSYXOPBUYKTPD-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)O2 ZINC000127993565 232210321 /nfs/dbraw/zinc/21/03/21/232210321.db2.gz HBPYKMBXAXXPMO-BZUAXINKSA-N 2 1 272.392 2.207 20 0 CEADMP CC(C)(C)[C@H](CCO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594499604 345638899 /nfs/dbraw/zinc/63/88/99/345638899.db2.gz HLYWFHNENWIDKZ-HOTGVXAUSA-N 2 1 298.471 2.017 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000623087056 349934665 /nfs/dbraw/zinc/93/46/65/349934665.db2.gz ZYOZSFYYWRFNIC-UHFFFAOYSA-N 2 1 295.390 2.451 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC)[NH+](C)C ZINC000594914468 345700184 /nfs/dbraw/zinc/70/01/84/345700184.db2.gz IPUFYWWWYVKIOL-BEAPCOKYSA-N 2 1 284.444 2.140 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000594927194 345705057 /nfs/dbraw/zinc/70/50/57/345705057.db2.gz ZDPYBIQWWAHRHR-KLHDSHLOSA-N 2 1 296.455 2.286 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000597242768 346159989 /nfs/dbraw/zinc/15/99/89/346159989.db2.gz WLSXNFPDNFHTOA-ZBFHGGJFSA-N 2 1 282.428 2.182 20 0 CEADMP CCOC1(C)CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000336788198 365808543 /nfs/dbraw/zinc/80/85/43/365808543.db2.gz GNKHBIKJNGYGEG-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP COc1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000295123879 199358295 /nfs/dbraw/zinc/35/82/95/199358295.db2.gz XPZWEKOTDAUXOB-CHWSQXEVSA-N 2 1 295.814 2.460 20 0 CEADMP COc1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000295123879 199358296 /nfs/dbraw/zinc/35/82/96/199358296.db2.gz XPZWEKOTDAUXOB-CHWSQXEVSA-N 2 1 295.814 2.460 20 0 CEADMP CC(C)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1CCCC1 ZINC000128909156 365809400 /nfs/dbraw/zinc/80/94/00/365809400.db2.gz VUOWTESUAWAEES-UXLLHSPISA-N 2 1 279.472 2.322 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc([S@@](C)=O)cc2)CC1(C)C ZINC000598964979 346438574 /nfs/dbraw/zinc/43/85/74/346438574.db2.gz IWFKXQQOPWEDMQ-VBKZILBWSA-N 2 1 294.464 2.386 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc([S@@](C)=O)cc2)CC1(C)C ZINC000598964979 346438575 /nfs/dbraw/zinc/43/85/75/346438575.db2.gz IWFKXQQOPWEDMQ-VBKZILBWSA-N 2 1 294.464 2.386 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000599045831 346451651 /nfs/dbraw/zinc/45/16/51/346451651.db2.gz CYSCPQJCRRBYGU-NFOMZHRRSA-N 2 1 284.444 2.427 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000599045831 346451652 /nfs/dbraw/zinc/45/16/52/346451652.db2.gz CYSCPQJCRRBYGU-NFOMZHRRSA-N 2 1 284.444 2.427 20 0 CEADMP COC(=O)CCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000599333906 346500876 /nfs/dbraw/zinc/50/08/76/346500876.db2.gz BQNKEHHZDHVIIA-ZBFHGGJFSA-N 2 1 294.439 2.278 20 0 CEADMP COC(=O)CCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000599333906 346500881 /nfs/dbraw/zinc/50/08/81/346500881.db2.gz BQNKEHHZDHVIIA-ZBFHGGJFSA-N 2 1 294.439 2.278 20 0 CEADMP COC(=O)CCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000599333906 346500886 /nfs/dbraw/zinc/50/08/86/346500886.db2.gz BQNKEHHZDHVIIA-ZBFHGGJFSA-N 2 1 294.439 2.278 20 0 CEADMP CC(C)c1noc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000063200859 362760936 /nfs/dbraw/zinc/76/09/36/362760936.db2.gz HHAFQBQYTGLSAW-ZDUSSCGKSA-N 2 1 278.400 2.157 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccccc1F ZINC000128416300 187369510 /nfs/dbraw/zinc/36/95/10/187369510.db2.gz FZGDCGCSWNNANE-CQSZACIVSA-N 2 1 295.402 2.460 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCCCO2)C1 ZINC000336800332 365827806 /nfs/dbraw/zinc/82/78/06/365827806.db2.gz LUKIGAUSRRTOQI-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000336800332 365827809 /nfs/dbraw/zinc/82/78/09/365827809.db2.gz LUKIGAUSRRTOQI-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000336800332 365827813 /nfs/dbraw/zinc/82/78/13/365827813.db2.gz LUKIGAUSRRTOQI-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000600162135 346610549 /nfs/dbraw/zinc/61/05/49/346610549.db2.gz TVQYVSGRSQRZRL-OAHLLOKOSA-N 2 1 290.407 2.436 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000600162135 346610551 /nfs/dbraw/zinc/61/05/51/346610551.db2.gz TVQYVSGRSQRZRL-OAHLLOKOSA-N 2 1 290.407 2.436 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000063582839 362770778 /nfs/dbraw/zinc/77/07/78/362770778.db2.gz KTYNHACWZYVZFQ-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)C2 ZINC000334821521 282516616 /nfs/dbraw/zinc/51/66/16/282516616.db2.gz PQZVAEGJJGEZNL-KBPBESRZSA-N 2 1 250.773 2.149 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000129577391 365874147 /nfs/dbraw/zinc/87/41/47/365874147.db2.gz AEAIJENPPZAKJX-QAPCUYQASA-N 2 1 298.434 2.345 20 0 CEADMP COC(=O)c1csc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000602723025 347171728 /nfs/dbraw/zinc/17/17/28/347171728.db2.gz KPQGTWCJGZFTOJ-GFCCVEGCSA-N 2 1 296.436 2.356 20 0 CEADMP COC(=O)c1csc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000602723025 347171731 /nfs/dbraw/zinc/17/17/31/347171731.db2.gz KPQGTWCJGZFTOJ-GFCCVEGCSA-N 2 1 296.436 2.356 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877824 347234808 /nfs/dbraw/zinc/23/48/08/347234808.db2.gz RQGYARHWJHETER-UHFFFAOYSA-N 2 1 282.428 2.138 20 0 CEADMP CC(C)CC[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128486912 187373148 /nfs/dbraw/zinc/37/31/48/187373148.db2.gz ZZYKBTPDPFRBBO-MRXNPFEDSA-N 2 1 269.477 2.428 20 0 CEADMP COC(=O)CCCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602954039 347256252 /nfs/dbraw/zinc/25/62/52/347256252.db2.gz GQLZETZARGHTNR-UHFFFAOYSA-N 2 1 282.428 2.280 20 0 CEADMP c1ccc(CSCCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000611185736 347749270 /nfs/dbraw/zinc/74/92/70/347749270.db2.gz YVEFTQIYACJOCX-IYBDPMFKSA-N 2 1 276.449 2.461 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334350316 539590225 /nfs/dbraw/zinc/59/02/25/539590225.db2.gz FEEVRSJDAASXFH-KRWDZBQOSA-N 2 1 284.407 2.218 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334350316 539590228 /nfs/dbraw/zinc/59/02/28/539590228.db2.gz FEEVRSJDAASXFH-KRWDZBQOSA-N 2 1 284.407 2.218 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC000130416770 365954050 /nfs/dbraw/zinc/95/40/50/365954050.db2.gz KLGYTACWCFCWBF-QGZVFWFLSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])CC(F)F)n2)cc1 ZINC000339357767 215118911 /nfs/dbraw/zinc/11/89/11/215118911.db2.gz LZZSMDOYZLAKQR-NSHDSACASA-N 2 1 296.321 2.453 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000339415787 215156565 /nfs/dbraw/zinc/15/65/65/215156565.db2.gz UXZXPJYQOJIOHT-GDBMZVCRSA-N 2 1 261.413 2.382 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000614335127 348181975 /nfs/dbraw/zinc/18/19/75/348181975.db2.gz MAZCBNHOBGEKJC-LVQVYYBASA-N 2 1 295.471 2.190 20 0 CEADMP CCOC1CC(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000339441752 215175737 /nfs/dbraw/zinc/17/57/37/215175737.db2.gz SOGFWZQJWDERKJ-GPANFISMSA-N 2 1 266.429 2.219 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000339441752 215175740 /nfs/dbraw/zinc/17/57/40/215175740.db2.gz SOGFWZQJWDERKJ-GPANFISMSA-N 2 1 266.429 2.219 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000339441752 215175743 /nfs/dbraw/zinc/17/57/43/215175743.db2.gz SOGFWZQJWDERKJ-GPANFISMSA-N 2 1 266.429 2.219 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623350691 349994966 /nfs/dbraw/zinc/99/49/66/349994966.db2.gz POBAVVYAWIHQBX-ZDUSSCGKSA-N 2 1 263.385 2.053 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623350691 349994968 /nfs/dbraw/zinc/99/49/68/349994968.db2.gz POBAVVYAWIHQBX-ZDUSSCGKSA-N 2 1 263.385 2.053 20 0 CEADMP CC(C)C[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000623353233 349995708 /nfs/dbraw/zinc/99/57/08/349995708.db2.gz FJJFABZYLCMPTF-HUUCEWRRSA-N 2 1 269.477 2.425 20 0 CEADMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623355462 349996822 /nfs/dbraw/zinc/99/68/22/349996822.db2.gz NQSUFRNMWCKZDA-CQSZACIVSA-N 2 1 276.428 2.110 20 0 CEADMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623355462 349996825 /nfs/dbraw/zinc/99/68/25/349996825.db2.gz NQSUFRNMWCKZDA-CQSZACIVSA-N 2 1 276.428 2.110 20 0 CEADMP Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C2 ZINC000623354276 349997069 /nfs/dbraw/zinc/99/70/69/349997069.db2.gz LQVDANYCKJFUHN-CABCVRRESA-N 2 1 288.439 2.105 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC1(C)C ZINC000623361112 349999249 /nfs/dbraw/zinc/99/92/49/349999249.db2.gz NOBQNISWQFYTAO-ILXRZTDVSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1(C)C ZINC000623361112 349999251 /nfs/dbraw/zinc/99/92/51/349999251.db2.gz NOBQNISWQFYTAO-ILXRZTDVSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1(C)C ZINC000623361112 349999252 /nfs/dbraw/zinc/99/92/52/349999252.db2.gz NOBQNISWQFYTAO-ILXRZTDVSA-N 2 1 265.445 2.076 20 0 CEADMP CN(CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CC(F)(F)F ZINC000339069912 539659399 /nfs/dbraw/zinc/65/93/99/539659399.db2.gz YRWDRAGVSKZLLE-STQMWFEESA-N 2 1 293.377 2.087 20 0 CEADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+](CC)CC ZINC000617349343 348686008 /nfs/dbraw/zinc/68/60/08/348686008.db2.gz MWORZUTYWQAYPN-ZIAGYGMSSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCCCCC1 ZINC000617349741 348686553 /nfs/dbraw/zinc/68/65/53/348686553.db2.gz VZZGRIRQPWYICZ-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCCCCC1 ZINC000617349742 348686605 /nfs/dbraw/zinc/68/66/05/348686605.db2.gz VZZGRIRQPWYICZ-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]CCc2ccc(C(C)(C)C)cc2)C1 ZINC000356428168 539685277 /nfs/dbraw/zinc/68/52/77/539685277.db2.gz YYCJQRCGONCOLJ-SFHVURJKSA-N 2 1 290.451 2.183 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]CCc2ccc(C(C)(C)C)cc2)C1 ZINC000356428168 539685281 /nfs/dbraw/zinc/68/52/81/539685281.db2.gz YYCJQRCGONCOLJ-SFHVURJKSA-N 2 1 290.451 2.183 20 0 CEADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCO1 ZINC000352040512 219299639 /nfs/dbraw/zinc/29/96/39/219299639.db2.gz PCFKCIYPBOOECF-WCVJEAGWSA-N 2 1 268.445 2.367 20 0 CEADMP CCCCOCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339664812 215290542 /nfs/dbraw/zinc/29/05/42/215290542.db2.gz GNKLOXPGBJFZBF-SJPCQFCGSA-N 2 1 298.471 2.377 20 0 CEADMP CCCCOCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339664812 215290543 /nfs/dbraw/zinc/29/05/43/215290543.db2.gz GNKLOXPGBJFZBF-SJPCQFCGSA-N 2 1 298.471 2.377 20 0 CEADMP CCCCOCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339664812 215290546 /nfs/dbraw/zinc/29/05/46/215290546.db2.gz GNKLOXPGBJFZBF-SJPCQFCGSA-N 2 1 298.471 2.377 20 0 CEADMP CC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623402741 350010442 /nfs/dbraw/zinc/01/04/42/350010442.db2.gz XTYGYQGINBNVMV-ZIAGYGMSSA-N 2 1 255.450 2.179 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cccc3n[nH]cc32)CC[N@H+]1C ZINC000623430865 350018366 /nfs/dbraw/zinc/01/83/66/350018366.db2.gz JNNNMQQOSLFOHT-WCQYABFASA-N 2 1 258.369 2.135 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)C2CCCCC2)CC1(C)C ZINC000623437368 350020374 /nfs/dbraw/zinc/02/03/74/350020374.db2.gz CTDFPPQMPZKFBI-CABCVRRESA-N 2 1 268.445 2.390 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ncccc2F)CC1(C)C ZINC000623469602 350028004 /nfs/dbraw/zinc/02/80/04/350028004.db2.gz HWARSSXFUDFTKC-GFCCVEGCSA-N 2 1 281.375 2.062 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCCO1 ZINC000623473638 350029092 /nfs/dbraw/zinc/02/90/92/350029092.db2.gz CBXZSOGWKSZYRP-RDBSUJKOSA-N 2 1 254.418 2.406 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc3nccn32)C1 ZINC000623656649 350076541 /nfs/dbraw/zinc/07/65/41/350076541.db2.gz ZDVAJKSUAJDESU-CQSZACIVSA-N 3 1 272.396 2.156 20 0 CEADMP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1N(C)C)C[NH+](C)C ZINC000623529826 350042190 /nfs/dbraw/zinc/04/21/90/350042190.db2.gz ASUSADGSAXATRV-LLVKDONJSA-N 2 1 285.382 2.318 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@]2(O)CCCC2(C)C)CC1(C)C ZINC000623532979 350043617 /nfs/dbraw/zinc/04/36/17/350043617.db2.gz ODRCSOMUHKWXLU-CZUORRHYSA-N 2 1 268.445 2.390 20 0 CEADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623563638 350052487 /nfs/dbraw/zinc/05/24/87/350052487.db2.gz FLXVXTBIMDUQIL-OAHLLOKOSA-N 2 1 261.413 2.395 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2CC(F)F)CC1(C)C ZINC000623624307 350068502 /nfs/dbraw/zinc/06/85/02/350068502.db2.gz BGQYUHOAQCBGSA-QWHCGFSZSA-N 2 1 289.414 2.178 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1COC1 ZINC000623763071 350105837 /nfs/dbraw/zinc/10/58/37/350105837.db2.gz SWRCKCXBELHSPP-UHFFFAOYSA-N 2 1 276.424 2.381 20 0 CEADMP CC1(C)CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000090714996 180029181 /nfs/dbraw/zinc/02/91/81/180029181.db2.gz REZUMESBNVUXAZ-HUUCEWRRSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000090714996 180029182 /nfs/dbraw/zinc/02/91/82/180029182.db2.gz REZUMESBNVUXAZ-HUUCEWRRSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cnc3cnccn23)C[C@H]1n1ccnc1 ZINC000271234928 191019865 /nfs/dbraw/zinc/01/98/65/191019865.db2.gz DFLKDDFFPITHKI-UKRRQHHQSA-N 2 1 296.378 2.009 20 0 CEADMP C[C@@H]1CCN(Cc2cnc3cnccn23)C[C@H]1n1ccnc1 ZINC000271234928 191019867 /nfs/dbraw/zinc/01/98/67/191019867.db2.gz DFLKDDFFPITHKI-UKRRQHHQSA-N 2 1 296.378 2.009 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623886671 350134500 /nfs/dbraw/zinc/13/45/00/350134500.db2.gz IFNUMEGMRMCMCA-UMVBOHGHSA-N 2 1 265.401 2.375 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CCCCO1 ZINC000623971289 350159285 /nfs/dbraw/zinc/15/92/85/350159285.db2.gz PVSNNYURXZJGQM-PMPSAXMXSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CCCCO1 ZINC000623971289 350159288 /nfs/dbraw/zinc/15/92/88/350159288.db2.gz PVSNNYURXZJGQM-PMPSAXMXSA-N 2 1 284.444 2.035 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc2nccn21 ZINC000271286341 191052105 /nfs/dbraw/zinc/05/21/05/191052105.db2.gz RCSUJVMYSFPANG-UHFFFAOYSA-N 2 1 269.352 2.019 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121001 350198388 /nfs/dbraw/zinc/19/83/88/350198388.db2.gz LLHBCYIQHYSDLQ-UKRRQHHQSA-N 2 1 276.428 2.119 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CCC1 ZINC000624124164 350201183 /nfs/dbraw/zinc/20/11/83/350201183.db2.gz YUIKQKJLEQDHHA-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCCO1 ZINC000624123204 350201441 /nfs/dbraw/zinc/20/14/41/350201441.db2.gz IBRPHVNWOKQEFP-KKUMJFAQSA-N 2 1 254.418 2.266 20 0 CEADMP c1ccc(C2CC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC000091666579 180222466 /nfs/dbraw/zinc/22/24/66/180222466.db2.gz APZHUIFXSJCUNT-OPQOLIRYSA-N 2 1 286.419 2.385 20 0 CEADMP c1ccc(C2CC([NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC000091666579 180222467 /nfs/dbraw/zinc/22/24/67/180222467.db2.gz APZHUIFXSJCUNT-OPQOLIRYSA-N 2 1 286.419 2.385 20 0 CEADMP C[C@@H](C(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412136969 233348549 /nfs/dbraw/zinc/34/85/49/233348549.db2.gz VPXKYRFDRLKYNI-OWYFMNJBSA-N 2 1 295.471 2.046 20 0 CEADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412136969 233348550 /nfs/dbraw/zinc/34/85/50/233348550.db2.gz VPXKYRFDRLKYNI-OWYFMNJBSA-N 2 1 295.471 2.046 20 0 CEADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412136969 233348552 /nfs/dbraw/zinc/34/85/52/233348552.db2.gz VPXKYRFDRLKYNI-OWYFMNJBSA-N 2 1 295.471 2.046 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](OC)C2)[C@@H](C)C1 ZINC000624309275 350257516 /nfs/dbraw/zinc/25/75/16/350257516.db2.gz IZVRBMJYUAHBAA-MWDXBVQZSA-N 2 1 298.471 2.138 20 0 CEADMP COc1ccc(OC)c(C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000091844639 180269525 /nfs/dbraw/zinc/26/95/25/180269525.db2.gz IZNNRUZYFUXKKG-UHFFFAOYSA-N 2 1 278.396 2.406 20 0 CEADMP Cc1cc(NCC[N@H+]2CC[C@H](O)C2)c2cccc(F)c2n1 ZINC000624772678 350357758 /nfs/dbraw/zinc/35/77/58/350357758.db2.gz BZLHOYRFSJTMJJ-LBPRGKRZSA-N 2 1 289.354 2.161 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCCC[C@@H]1CCO ZINC000342068669 539794525 /nfs/dbraw/zinc/79/45/25/539794525.db2.gz UCOWXBHBXFEMIJ-OAHLLOKOSA-N 2 1 265.401 2.209 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCCC[C@@H]1CCO ZINC000342068669 539794528 /nfs/dbraw/zinc/79/45/28/539794528.db2.gz UCOWXBHBXFEMIJ-OAHLLOKOSA-N 2 1 265.401 2.209 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000352177829 219346747 /nfs/dbraw/zinc/34/67/47/219346747.db2.gz GPQZGQBJVFIFFD-CVEARBPZSA-N 2 1 297.487 2.390 20 0 CEADMP CC[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000151718356 539798158 /nfs/dbraw/zinc/79/81/58/539798158.db2.gz ABPPDZDXBNZSQG-ZBFHGGJFSA-N 3 1 267.461 2.181 20 0 CEADMP CC[C@H]1C[N@@H+](CCOc2ccc(OC)cc2)CC[C@@H]1[NH3+] ZINC000147469623 539798942 /nfs/dbraw/zinc/79/89/42/539798942.db2.gz PJGAHURPVGQVNG-BBRMVZONSA-N 2 1 278.396 2.133 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000107349489 186170154 /nfs/dbraw/zinc/17/01/54/186170154.db2.gz VRIDFKCPHUNMGW-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000568977396 299171469 /nfs/dbraw/zinc/17/14/69/299171469.db2.gz YDZYXPWSVXTIND-QAPCUYQASA-N 2 1 288.435 2.220 20 0 CEADMP COc1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)C2CC2)cn1 ZINC000626180773 350679901 /nfs/dbraw/zinc/67/99/01/350679901.db2.gz GBTXIKHMQFDBES-INIZCTEOSA-N 2 1 286.379 2.107 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)Cc2ccccc2)CC1 ZINC000111240735 186374154 /nfs/dbraw/zinc/37/41/54/186374154.db2.gz GAYHUJKEVYCVTG-GOSISDBHSA-N 2 1 290.451 2.396 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCCCO2)CC1 ZINC000111240583 186374570 /nfs/dbraw/zinc/37/45/70/186374570.db2.gz KMAOQGYGUSQKQX-OAHLLOKOSA-N 2 1 254.418 2.362 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@]1(C)CCCS1 ZINC000628190573 350998051 /nfs/dbraw/zinc/99/80/51/350998051.db2.gz KAMKYKNOKDIHCZ-FPCVCCKLSA-N 2 1 298.496 2.456 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@]1(C)CCCS1 ZINC000628205604 351004784 /nfs/dbraw/zinc/00/47/84/351004784.db2.gz WJIUTRJBXQFGGU-ZDUSSCGKSA-N 2 1 253.415 2.457 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@]2(C)CCCS2)CCCO1 ZINC000628253173 351028722 /nfs/dbraw/zinc/02/87/22/351028722.db2.gz WZLVUMVFORXAAO-CABCVRRESA-N 2 1 286.485 2.363 20 0 CEADMP C[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000629544116 351404877 /nfs/dbraw/zinc/40/48/77/351404877.db2.gz GUJWHDNNRFRFEA-SSDOTTSWSA-N 2 1 264.316 2.464 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2ccncc2Br)CC1 ZINC000629510046 351381892 /nfs/dbraw/zinc/38/18/92/351381892.db2.gz FHGOQFYLDCIQPK-UHFFFAOYSA-N 2 1 298.228 2.276 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cs1 ZINC000629518642 351385201 /nfs/dbraw/zinc/38/52/01/351385201.db2.gz ALQBNOBXRZHGHL-LLVKDONJSA-N 2 1 254.399 2.215 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2CC(F)F)c2ccccc21 ZINC000629519718 351386235 /nfs/dbraw/zinc/38/62/35/351386235.db2.gz QIZJGTIPSZUVIF-KCPJHIHWSA-N 2 1 295.377 2.450 20 0 CEADMP CCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629522384 351389389 /nfs/dbraw/zinc/38/93/89/351389389.db2.gz YUGXMFCRNICPSY-ZDUSSCGKSA-N 2 1 278.396 2.244 20 0 CEADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629408322 351354528 /nfs/dbraw/zinc/35/45/28/351354528.db2.gz TURUEUWYZRIIAX-MBNYWOFBSA-N 2 1 272.396 2.224 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1F ZINC000070074225 363027584 /nfs/dbraw/zinc/02/75/84/363027584.db2.gz CCXPQUFJBWTQLF-GFCCVEGCSA-N 2 1 266.360 2.395 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCOc3ccccc32)C[NH2+]1 ZINC000629419348 351357357 /nfs/dbraw/zinc/35/73/57/351357357.db2.gz XYNGWUZAVWZDCO-RDBSUJKOSA-N 2 1 260.381 2.283 20 0 CEADMP CCO[C@H](C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)C1CC1 ZINC000629542067 351404286 /nfs/dbraw/zinc/40/42/86/351404286.db2.gz XTVQFKYNEAQKEO-PAPYEOQZSA-N 2 1 254.418 2.107 20 0 CEADMP CC[N@H+](Cc1ccc(COC)o1)[C@@H]1CCC[NH2+]CC1 ZINC000629647417 351446019 /nfs/dbraw/zinc/44/60/19/351446019.db2.gz UIPZRPNJOWNBOC-CYBMUJFWSA-N 2 1 266.385 2.390 20 0 CEADMP CC[N@@H+](Cc1ccc(COC)o1)[C@@H]1CCC[NH2+]CC1 ZINC000629647417 351446022 /nfs/dbraw/zinc/44/60/22/351446022.db2.gz UIPZRPNJOWNBOC-CYBMUJFWSA-N 2 1 266.385 2.390 20 0 CEADMP [NH3+]C1(C[NH2+]CC2=Cc3ccccc3OC2)CCCC1 ZINC000629650604 351448517 /nfs/dbraw/zinc/44/85/17/351448517.db2.gz XWYBKFMWQTUKJJ-UHFFFAOYSA-N 2 1 258.365 2.324 20 0 CEADMP COCC(C)(C)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629652457 351449881 /nfs/dbraw/zinc/44/98/81/351449881.db2.gz ATNVHKCXWQIOCJ-GHMZBOCLSA-N 2 1 282.350 2.118 20 0 CEADMP Cc1cnccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000629549154 351408144 /nfs/dbraw/zinc/40/81/44/351408144.db2.gz QTDJLBFCANPJPJ-BRWVUGGUSA-N 2 1 289.423 2.251 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000629551420 351409751 /nfs/dbraw/zinc/40/97/51/351409751.db2.gz VFWNNSAXKFWWBO-ZDUSSCGKSA-N 2 1 284.350 2.120 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000629570177 351417953 /nfs/dbraw/zinc/41/79/53/351417953.db2.gz ITUBGRPLIPXAJT-UHFFFAOYSA-N 2 1 274.767 2.147 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000629571950 351418610 /nfs/dbraw/zinc/41/86/10/351418610.db2.gz UOZHOWPDSYJAGQ-NSHDSACASA-N 2 1 272.339 2.194 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000629571950 351418615 /nfs/dbraw/zinc/41/86/15/351418615.db2.gz UOZHOWPDSYJAGQ-NSHDSACASA-N 2 1 272.339 2.194 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1c(Cl)ccc2cccnc21 ZINC000629579182 351420928 /nfs/dbraw/zinc/42/09/28/351420928.db2.gz ZVXDVBFIWMBJGB-UHFFFAOYSA-N 2 1 293.798 2.295 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000070148509 363036422 /nfs/dbraw/zinc/03/64/22/363036422.db2.gz WXKVBFBBOVFKFW-CQSZACIVSA-N 2 1 276.380 2.161 20 0 CEADMP C[NH+](CCCNC(=O)C[N@H+](C)C1CCC1)C1CCCCC1 ZINC000629946598 351547296 /nfs/dbraw/zinc/54/72/96/351547296.db2.gz CAPUJECOTRLGEA-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CC(=O)NCCC[N@H+](C)C1CCCCC1)C1CCC1 ZINC000629946598 351547300 /nfs/dbraw/zinc/54/73/00/351547300.db2.gz CAPUJECOTRLGEA-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CC(=O)NCCC[N@@H+](C)C1CCCCC1)C1CCC1 ZINC000629946598 351547304 /nfs/dbraw/zinc/54/73/04/351547304.db2.gz CAPUJECOTRLGEA-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP Brc1cncc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000124263951 187129337 /nfs/dbraw/zinc/12/93/37/187129337.db2.gz KMCWNMJLYGYRJG-UHFFFAOYSA-N 2 1 298.228 2.420 20 0 CEADMP COCCc1ncc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)s1 ZINC000631044953 351936665 /nfs/dbraw/zinc/93/66/65/351936665.db2.gz ZAJFOYNQOIHGQM-CYBMUJFWSA-N 2 1 297.468 2.154 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCCC[C@H]2CC)CC[N@H+]1C ZINC000631285474 352053653 /nfs/dbraw/zinc/05/36/53/352053653.db2.gz CUCNZWPQKIJDKY-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]2CCCC[C@H]2CC)CC[NH+]1C ZINC000631285474 352053658 /nfs/dbraw/zinc/05/36/58/352053658.db2.gz CUCNZWPQKIJDKY-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]2CCCC[C@H]2CC)CC[NH+]1C ZINC000631285474 352053660 /nfs/dbraw/zinc/05/36/60/352053660.db2.gz CUCNZWPQKIJDKY-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2c(c1)COCC2 ZINC000631243815 352035154 /nfs/dbraw/zinc/03/51/54/352035154.db2.gz PVRYJGOEYXGUOJ-SJORKVTESA-N 2 1 286.419 2.476 20 0 CEADMP C[C@@H]1C[C@H](NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1C ZINC000152654888 539935345 /nfs/dbraw/zinc/93/53/45/539935345.db2.gz DBHXDYZZRVNJDK-HUUCEWRRSA-N 2 1 267.461 2.323 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)CCc3ccccc3)C2)C1 ZINC000292205017 198201808 /nfs/dbraw/zinc/20/18/08/198201808.db2.gz SRADVGQBRCZXLS-ROUUACIJSA-N 2 1 288.435 2.008 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)CCc3ccccc3)C2)C1 ZINC000292205017 198201811 /nfs/dbraw/zinc/20/18/11/198201811.db2.gz SRADVGQBRCZXLS-ROUUACIJSA-N 2 1 288.435 2.008 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)CCc3ccccc3)C2)C1 ZINC000292205017 198201813 /nfs/dbraw/zinc/20/18/13/198201813.db2.gz SRADVGQBRCZXLS-ROUUACIJSA-N 2 1 288.435 2.008 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000250242232 539964419 /nfs/dbraw/zinc/96/44/19/539964419.db2.gz MIARCDBWBDWOAF-ZIAGYGMSSA-N 2 1 278.396 2.276 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000250242232 539964421 /nfs/dbraw/zinc/96/44/21/539964421.db2.gz MIARCDBWBDWOAF-ZIAGYGMSSA-N 2 1 278.396 2.276 20 0 CEADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250009346 539963378 /nfs/dbraw/zinc/96/33/78/539963378.db2.gz GYUUEZSWCVOUHH-VYDXJSESSA-N 2 1 271.408 2.473 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000152286328 188007276 /nfs/dbraw/zinc/00/72/76/188007276.db2.gz MQPJKHCFFMPWIO-ARFHVFGLSA-N 2 1 273.424 2.338 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3)C2)CC[N@H+]1C ZINC000152286328 188007277 /nfs/dbraw/zinc/00/72/77/188007277.db2.gz MQPJKHCFFMPWIO-ARFHVFGLSA-N 2 1 273.424 2.338 20 0 CEADMP COC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000153503380 188086273 /nfs/dbraw/zinc/08/62/73/188086273.db2.gz AUZJBLTVGDJVPJ-GJZGRUSLSA-N 2 1 292.423 2.032 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000569378429 299199148 /nfs/dbraw/zinc/19/91/48/299199148.db2.gz RCHAJAOQXKBCDG-QLFBSQMISA-N 2 1 253.434 2.110 20 0 CEADMP CC[C@@H]1CCCCN1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000569378429 299199152 /nfs/dbraw/zinc/19/91/52/299199152.db2.gz RCHAJAOQXKBCDG-QLFBSQMISA-N 3 1 253.434 2.110 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccc(Cl)cc1 ZINC000131776021 366086612 /nfs/dbraw/zinc/08/66/12/366086612.db2.gz KQKAARVKNSXMHI-NEPJUHHUSA-N 2 1 268.788 2.388 20 0 CEADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2)[C@H]1C[NH3+] ZINC000252214654 540002661 /nfs/dbraw/zinc/00/26/61/540002661.db2.gz XIHKPCJDLRUHIT-HIFRSBDPSA-N 2 1 275.396 2.074 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)[C@H]1C[NH3+] ZINC000252214654 540002665 /nfs/dbraw/zinc/00/26/65/540002665.db2.gz XIHKPCJDLRUHIT-HIFRSBDPSA-N 2 1 275.396 2.074 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3)CC[C@@H]21 ZINC000158577742 188383534 /nfs/dbraw/zinc/38/35/34/188383534.db2.gz IDMNFQXGIBLQCN-RDJZCZTQSA-N 2 1 274.408 2.482 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccccc3)CC[C@@H]21 ZINC000158577742 188383536 /nfs/dbraw/zinc/38/35/36/188383536.db2.gz IDMNFQXGIBLQCN-RDJZCZTQSA-N 2 1 274.408 2.482 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccccc3)CC[C@@H]21 ZINC000158577742 188383538 /nfs/dbraw/zinc/38/35/38/188383538.db2.gz IDMNFQXGIBLQCN-RDJZCZTQSA-N 2 1 274.408 2.482 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000569495140 299206295 /nfs/dbraw/zinc/20/62/95/299206295.db2.gz BVWVRQGZVMNJTJ-SMDDNHRTSA-N 2 1 271.364 2.252 20 0 CEADMP C[N@@H+](CCC[NH2+][C@H]1CCC(=O)NC1(C)C)C1CCCCC1 ZINC000494878564 291002880 /nfs/dbraw/zinc/00/28/80/291002880.db2.gz MHVRJROTWUBZOV-HNNXBMFYSA-N 2 1 295.471 2.288 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)CC1CCCC1 ZINC000337243344 366101750 /nfs/dbraw/zinc/10/17/50/366101750.db2.gz HSOQVDCCLUKJPT-MRXNPFEDSA-N 2 1 268.445 2.345 20 0 CEADMP C[N@@H+](CCC[NH3+])CCOc1ccc(Br)cc1 ZINC000133221300 366205492 /nfs/dbraw/zinc/20/54/92/366205492.db2.gz WEQMOGMUIYEDPK-UHFFFAOYSA-N 2 1 287.201 2.109 20 0 CEADMP CC(C)[C@H](CO)[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000451601706 283047339 /nfs/dbraw/zinc/04/73/39/283047339.db2.gz UXRQXILRSLTZFH-JYJNAYRXSA-N 2 1 270.461 2.349 20 0 CEADMP CO[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000669927837 540047861 /nfs/dbraw/zinc/04/78/61/540047861.db2.gz YLVPDCOCZGOGPL-KCQAQPDRSA-N 2 1 280.799 2.179 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)ncn3C)CC[N@@H+]1C ZINC000271815426 191343713 /nfs/dbraw/zinc/34/37/13/191343713.db2.gz MQNKQKSMIOMALY-HIFRSBDPSA-N 2 1 286.423 2.488 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)ncn3C)CC[N@H+]1C ZINC000271815426 191343716 /nfs/dbraw/zinc/34/37/16/191343716.db2.gz MQNKQKSMIOMALY-HIFRSBDPSA-N 2 1 286.423 2.488 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)ncn3C)CC[NH+]1C ZINC000271815426 191343719 /nfs/dbraw/zinc/34/37/19/191343719.db2.gz MQNKQKSMIOMALY-HIFRSBDPSA-N 2 1 286.423 2.488 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)ncn3C)CC[NH+]1C ZINC000271815426 191343721 /nfs/dbraw/zinc/34/37/21/191343721.db2.gz MQNKQKSMIOMALY-HIFRSBDPSA-N 2 1 286.423 2.488 20 0 CEADMP C[C@@H](C(=O)Nc1cc(N(C)C)ccn1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000153223287 540132567 /nfs/dbraw/zinc/13/25/67/540132567.db2.gz YLOIRTPJTOZDGQ-XQQFMLRXSA-N 2 1 290.411 2.347 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000271861194 191373819 /nfs/dbraw/zinc/37/38/19/191373819.db2.gz FALHJWOOPIXYMR-LBPRGKRZSA-N 2 1 259.353 2.035 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000539066789 540198533 /nfs/dbraw/zinc/19/85/33/540198533.db2.gz QINUPMBAGQLXHL-CZUORRHYSA-N 2 1 262.397 2.433 20 0 CEADMP C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCC[NH+]1C1CC1 ZINC000683695087 540201516 /nfs/dbraw/zinc/20/15/16/540201516.db2.gz ZKGLAFXOYUPEBU-UAGQMJEPSA-N 2 1 277.456 2.220 20 0 CEADMP C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000683695087 540201517 /nfs/dbraw/zinc/20/15/17/540201517.db2.gz ZKGLAFXOYUPEBU-UAGQMJEPSA-N 2 1 277.456 2.220 20 0 CEADMP C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000683695087 540201519 /nfs/dbraw/zinc/20/15/19/540201519.db2.gz ZKGLAFXOYUPEBU-UAGQMJEPSA-N 2 1 277.456 2.220 20 0 CEADMP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCCN1C1CC1 ZINC000683695087 540201521 /nfs/dbraw/zinc/20/15/21/540201521.db2.gz ZKGLAFXOYUPEBU-UAGQMJEPSA-N 2 1 277.456 2.220 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)[C@H]2CCC[C@H]21 ZINC000353436040 283133189 /nfs/dbraw/zinc/13/31/89/283133189.db2.gz AUOUSYNWYILYTN-IXDOHACOSA-N 2 1 277.456 2.076 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000353527570 283134583 /nfs/dbraw/zinc/13/45/83/283134583.db2.gz DDBBWOBASCLUFO-VWYCJHECSA-N 2 1 250.308 2.401 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOC2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000367598283 283135619 /nfs/dbraw/zinc/13/56/19/283135619.db2.gz QHYHOEXBBAXDLG-YESZJQIVSA-N 2 1 296.455 2.035 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CSC2(C)C)[C@H]2CCC[C@H]21 ZINC000353604168 283142335 /nfs/dbraw/zinc/14/23/35/283142335.db2.gz IQULRCWACODOEV-YVECIDJPSA-N 2 1 254.443 2.343 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccco2)[C@@H]2CCC[C@@H]21 ZINC000353683317 283142434 /nfs/dbraw/zinc/14/24/34/283142434.db2.gz FCHMYJYAGOAXPQ-XQLPTFJDSA-N 2 1 278.396 2.166 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccco2)[C@@H]2CCC[C@@H]21 ZINC000353683317 283142436 /nfs/dbraw/zinc/14/24/36/283142436.db2.gz FCHMYJYAGOAXPQ-XQLPTFJDSA-N 2 1 278.396 2.166 20 0 CEADMP COc1ccc(C[N@@H+](CCC[NH3+])CCc2ccccn2)cc1 ZINC000414737219 540245163 /nfs/dbraw/zinc/24/51/63/540245163.db2.gz AFLHNMWZQRZCCU-UHFFFAOYSA-N 2 1 299.418 2.484 20 0 CEADMP CCC[C@H]1[C@H](C)CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338280068 366268487 /nfs/dbraw/zinc/26/84/87/366268487.db2.gz PAOMZAVHGXTUHW-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@H]1[C@H](C)CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338280068 366268493 /nfs/dbraw/zinc/26/84/93/366268493.db2.gz PAOMZAVHGXTUHW-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338280144 366269248 /nfs/dbraw/zinc/26/92/48/366269248.db2.gz QOMPREBRIXEQMP-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338280144 366269252 /nfs/dbraw/zinc/26/92/52/366269252.db2.gz QOMPREBRIXEQMP-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000338283402 366270274 /nfs/dbraw/zinc/27/02/74/366270274.db2.gz QCNOQJPYWVRJGP-INIZCTEOSA-N 2 1 284.444 2.382 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCO[C@H]2CCCCO2)CC[N@@H+]1C ZINC000338305242 366284018 /nfs/dbraw/zinc/28/40/18/366284018.db2.gz LFPPXTSYYSQTEB-OAGGEKHMSA-N 2 1 284.444 2.334 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCO[C@H]2CCCCO2)CC[N@H+]1C ZINC000338305242 366284021 /nfs/dbraw/zinc/28/40/21/366284021.db2.gz LFPPXTSYYSQTEB-OAGGEKHMSA-N 2 1 284.444 2.334 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCCO[C@H]2CCCCO2)CC[NH+]1C ZINC000338305242 366284026 /nfs/dbraw/zinc/28/40/26/366284026.db2.gz LFPPXTSYYSQTEB-OAGGEKHMSA-N 2 1 284.444 2.334 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCCO[C@H]2CCCCO2)CC[NH+]1C ZINC000338305242 366284032 /nfs/dbraw/zinc/28/40/32/366284032.db2.gz LFPPXTSYYSQTEB-OAGGEKHMSA-N 2 1 284.444 2.334 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000353494982 283186665 /nfs/dbraw/zinc/18/66/65/283186665.db2.gz ZESIWFRAJVBUDD-XHSDSOJGSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353494982 283186666 /nfs/dbraw/zinc/18/66/66/283186666.db2.gz ZESIWFRAJVBUDD-XHSDSOJGSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353494982 283186667 /nfs/dbraw/zinc/18/66/67/283186667.db2.gz ZESIWFRAJVBUDD-XHSDSOJGSA-N 2 1 267.461 2.323 20 0 CEADMP CCOC(=O)CCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834954 363491863 /nfs/dbraw/zinc/49/18/63/363491863.db2.gz JAFZGTJGUYCMTA-OAHLLOKOSA-N 2 1 282.428 2.138 20 0 CEADMP CCOC(=O)CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834954 363491864 /nfs/dbraw/zinc/49/18/64/363491864.db2.gz JAFZGTJGUYCMTA-OAHLLOKOSA-N 2 1 282.428 2.138 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000076004311 363507322 /nfs/dbraw/zinc/50/73/22/363507322.db2.gz ZQYCVVUDCYYFOK-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348099598 538845362 /nfs/dbraw/zinc/84/53/62/538845362.db2.gz BWXMFEFAENQNLA-SJORKVTESA-N 2 1 279.472 2.038 20 0 CEADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(C)(C)C ZINC000670267786 540261410 /nfs/dbraw/zinc/26/14/10/540261410.db2.gz UEYHWVYCXADWJG-LSDHHAIUSA-N 2 1 270.461 2.495 20 0 CEADMP Cc1csc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000156094625 540320337 /nfs/dbraw/zinc/32/03/37/540320337.db2.gz XJLGSFSNQXNPSL-CHWSQXEVSA-N 2 1 265.426 2.210 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@](C)(CO)Cc1ccccc1 ZINC000357791477 540368440 /nfs/dbraw/zinc/36/84/40/540368440.db2.gz OFNUAKZTJYGFCU-NJAFHUGGSA-N 2 1 290.451 2.158 20 0 CEADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000158942292 540395019 /nfs/dbraw/zinc/39/50/19/540395019.db2.gz NEEZACXBOBNXMR-DZGCQCFKSA-N 2 1 262.397 2.310 20 0 CEADMP CCn1nccc1CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000338545751 366406123 /nfs/dbraw/zinc/40/61/23/366406123.db2.gz JGFWQKREJCXPLB-INIZCTEOSA-N 2 1 290.455 2.109 20 0 CEADMP CCn1nccc1CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000338545751 366406124 /nfs/dbraw/zinc/40/61/24/366406124.db2.gz JGFWQKREJCXPLB-INIZCTEOSA-N 2 1 290.455 2.109 20 0 CEADMP CCn1nccc1CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000338545751 366406126 /nfs/dbraw/zinc/40/61/26/366406126.db2.gz JGFWQKREJCXPLB-INIZCTEOSA-N 2 1 290.455 2.109 20 0 CEADMP CCn1nccc1CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000338545751 366406128 /nfs/dbraw/zinc/40/61/28/366406128.db2.gz JGFWQKREJCXPLB-INIZCTEOSA-N 2 1 290.455 2.109 20 0 CEADMP C[N@@H+](CCC[NH2+]CC1(C)COC1)C1CCCCC1 ZINC000079473766 363605269 /nfs/dbraw/zinc/60/52/69/363605269.db2.gz RBZSOWMDFNHZRK-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1 ZINC000578284903 366470374 /nfs/dbraw/zinc/47/03/74/366470374.db2.gz KEPBSBONZJINEO-SJORKVTESA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000578284903 366470375 /nfs/dbraw/zinc/47/03/75/366470375.db2.gz KEPBSBONZJINEO-SJORKVTESA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000578284903 366470377 /nfs/dbraw/zinc/47/03/77/366470377.db2.gz KEPBSBONZJINEO-SJORKVTESA-N 2 1 276.424 2.006 20 0 CEADMP C[N@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000578334767 366478645 /nfs/dbraw/zinc/47/86/45/366478645.db2.gz XEEUSGQDLRISIE-QGZVFWFLSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000578334767 366478649 /nfs/dbraw/zinc/47/86/49/366478649.db2.gz XEEUSGQDLRISIE-QGZVFWFLSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000578334767 366478657 /nfs/dbraw/zinc/47/86/57/366478657.db2.gz XEEUSGQDLRISIE-QGZVFWFLSA-N 2 1 287.451 2.287 20 0 CEADMP C/C(=C\c1ccccc1)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000338710380 366482818 /nfs/dbraw/zinc/48/28/18/366482818.db2.gz GVHDPAMYPQAYNS-GSPCDJLXSA-N 2 1 274.408 2.136 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000338771159 366515013 /nfs/dbraw/zinc/51/50/13/366515013.db2.gz FSTMUVANAGUGQD-GJZGRUSLSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000578649879 366527876 /nfs/dbraw/zinc/52/78/76/366527876.db2.gz QANWIKVJLKHOEX-HNNXBMFYSA-N 2 1 275.396 2.347 20 0 CEADMP CC(C)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000311465735 540456431 /nfs/dbraw/zinc/45/64/31/540456431.db2.gz NBXOUVXFWJSIRN-HOTGVXAUSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000311465735 540456436 /nfs/dbraw/zinc/45/64/36/540456436.db2.gz NBXOUVXFWJSIRN-HOTGVXAUSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000311465735 540456438 /nfs/dbraw/zinc/45/64/38/540456438.db2.gz NBXOUVXFWJSIRN-HOTGVXAUSA-N 2 1 270.461 2.446 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000312988579 540463154 /nfs/dbraw/zinc/46/31/54/540463154.db2.gz OYEDPAOTSYKSPF-HUUCEWRRSA-N 2 1 268.445 2.392 20 0 CEADMP CC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC000311049885 540454070 /nfs/dbraw/zinc/45/40/70/540454070.db2.gz QMVZPJGURGQFDK-LSDHHAIUSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000311049885 540454073 /nfs/dbraw/zinc/45/40/73/540454073.db2.gz QMVZPJGURGQFDK-LSDHHAIUSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000311049885 540454074 /nfs/dbraw/zinc/45/40/74/540454074.db2.gz QMVZPJGURGQFDK-LSDHHAIUSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000311104688 540454464 /nfs/dbraw/zinc/45/44/64/540454464.db2.gz CZRMNCPVCAKPCG-CABCVRRESA-N 2 1 256.434 2.342 20 0 CEADMP CC[C@@H]1CCCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000311104688 540454468 /nfs/dbraw/zinc/45/44/68/540454468.db2.gz CZRMNCPVCAKPCG-CABCVRRESA-N 2 1 256.434 2.342 20 0 CEADMP CC[C@@H]1CCCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000311104688 540454472 /nfs/dbraw/zinc/45/44/72/540454472.db2.gz CZRMNCPVCAKPCG-CABCVRRESA-N 2 1 256.434 2.342 20 0 CEADMP c1cc(C[N@@H+]2CC[C@@H](C3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667681325 540518886 /nfs/dbraw/zinc/51/88/86/540518886.db2.gz FZWDDKKVZBSNLH-CQSZACIVSA-N 2 1 268.364 2.499 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H](C3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667681325 540518888 /nfs/dbraw/zinc/51/88/88/540518888.db2.gz FZWDDKKVZBSNLH-CQSZACIVSA-N 2 1 268.364 2.499 20 0 CEADMP Fc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc(F)c1F ZINC000666855481 540510051 /nfs/dbraw/zinc/51/00/51/540510051.db2.gz UWQZCBIPASLZEN-JTQLQIEISA-N 2 1 258.287 2.336 20 0 CEADMP CC[NH+](CC)CCNC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000296884317 200024940 /nfs/dbraw/zinc/02/49/40/200024940.db2.gz MKAAFUCTSQEFJV-UHFFFAOYSA-N 2 1 289.383 2.106 20 0 CEADMP Cn1ncc(C2CC2)c1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000668084525 540565101 /nfs/dbraw/zinc/56/51/01/540565101.db2.gz NTLUOYPSRNOWTH-OAHLLOKOSA-N 2 1 298.390 2.346 20 0 CEADMP Cn1ncc(C2CC2)c1CN1CC[C@@H](Oc2ccncc2)C1 ZINC000668084525 540565102 /nfs/dbraw/zinc/56/51/02/540565102.db2.gz NTLUOYPSRNOWTH-OAHLLOKOSA-N 2 1 298.390 2.346 20 0 CEADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551177404 540571619 /nfs/dbraw/zinc/57/16/19/540571619.db2.gz YZGNKHUBSAPZKE-HRCADAONSA-N 2 1 262.397 2.182 20 0 CEADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551177404 540571623 /nfs/dbraw/zinc/57/16/23/540571623.db2.gz YZGNKHUBSAPZKE-HRCADAONSA-N 2 1 262.397 2.182 20 0 CEADMP CC(C)[C@H]1CN(Cc2cnc3n2CCC3)CCCO1 ZINC000668199553 540584938 /nfs/dbraw/zinc/58/49/38/540584938.db2.gz YFKABNTXFZMYKU-CQSZACIVSA-N 2 1 263.385 2.076 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C1CC(OC(C)C)C1 ZINC000338953048 366588479 /nfs/dbraw/zinc/58/84/79/366588479.db2.gz BZULWINVCZJXCK-UHFFFAOYSA-N 2 1 251.374 2.127 20 0 CEADMP C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCC[C@H]1C ZINC000339065809 366639037 /nfs/dbraw/zinc/63/90/37/366639037.db2.gz HODQNJOWVFSRNW-NCOADZHNSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+]1CCCC[C@H]1C ZINC000339065809 366639041 /nfs/dbraw/zinc/63/90/41/366639041.db2.gz HODQNJOWVFSRNW-NCOADZHNSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+]2CCC[C@H]2C1)[N@H+]1CCCC[C@H]1C ZINC000339065809 366639048 /nfs/dbraw/zinc/63/90/48/366639048.db2.gz HODQNJOWVFSRNW-NCOADZHNSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc(F)c1F)[C@@H]1CCC[NH2+]C1 ZINC000579567764 366665186 /nfs/dbraw/zinc/66/51/86/366665186.db2.gz CXLUSEFGRHRMAG-GHMZBOCLSA-N 2 1 254.324 2.443 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(N2CCCC2=O)cc1 ZINC000151954100 366679149 /nfs/dbraw/zinc/67/91/49/366679149.db2.gz BHCSBPPNYWXSRG-CQSZACIVSA-N 2 1 289.423 2.416 20 0 CEADMP OCC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000298399507 200417035 /nfs/dbraw/zinc/41/70/35/200417035.db2.gz LSEPBMQGVNBJOE-MRXNPFEDSA-N 2 1 288.435 2.369 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2OC)[C@H](C)C1 ZINC000341878660 216136261 /nfs/dbraw/zinc/13/62/61/216136261.db2.gz SEAOAVIEPQISPN-CBBWQLFWSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@@H]3CCCOC3)C2)c1 ZINC000674301110 540742353 /nfs/dbraw/zinc/74/23/53/540742353.db2.gz NESXUUWVYIOHNR-HUUCEWRRSA-N 2 1 275.396 2.303 20 0 CEADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@@H]3CCCOC3)C2)c1 ZINC000674301110 540742357 /nfs/dbraw/zinc/74/23/57/540742357.db2.gz NESXUUWVYIOHNR-HUUCEWRRSA-N 2 1 275.396 2.303 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000178320579 189107135 /nfs/dbraw/zinc/10/71/35/189107135.db2.gz QRFBOGSNCLNAED-IJEWVQPXSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000178320579 189107136 /nfs/dbraw/zinc/10/71/36/189107136.db2.gz QRFBOGSNCLNAED-IJEWVQPXSA-N 2 1 299.422 2.401 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cn1 ZINC000178702363 189138586 /nfs/dbraw/zinc/13/85/86/189138586.db2.gz OYPCWIRKJPYGBF-QWHCGFSZSA-N 2 1 275.400 2.395 20 0 CEADMP CCc1noc(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342101460 216217630 /nfs/dbraw/zinc/21/76/30/216217630.db2.gz KVYQLBWDHWOLHG-IACUBPJLSA-N 2 1 263.385 2.105 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cc(F)cc3cccnc32)CCC1 ZINC000342137205 216234737 /nfs/dbraw/zinc/23/47/37/216234737.db2.gz MPMHDBXWIREGAT-UHFFFAOYSA-N 2 1 259.328 2.345 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@H]21 ZINC000342142545 216236480 /nfs/dbraw/zinc/23/64/80/216236480.db2.gz VNXPDBGHGUGYRT-DAXOMENPSA-N 2 1 278.371 2.264 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000675752434 540871242 /nfs/dbraw/zinc/87/12/42/540871242.db2.gz VCZADWPSSRMTLU-LXTVHRRPSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(CC(F)F)CC2)[C@@H](C)C1 ZINC000675792720 540874760 /nfs/dbraw/zinc/87/47/60/540874760.db2.gz SAEQQTMOBULBFR-GXTWGEPZSA-N 2 1 289.414 2.036 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000675724556 540868549 /nfs/dbraw/zinc/86/85/49/540868549.db2.gz VQJDZHDKCPMOAP-NXHRZFHOSA-N 2 1 289.467 2.232 20 0 CEADMP C[C@H](C[C@H]1CCOC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675883082 540878654 /nfs/dbraw/zinc/87/86/54/540878654.db2.gz WGWRRCYQCBBNCG-BFYDXBDKSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H](C(=O)Nc1ccccc1C[NH+](C)C)[NH+]1CC(C)C1 ZINC000579975179 366733520 /nfs/dbraw/zinc/73/35/20/366733520.db2.gz KNQWQRWQBFMZRC-ZDUSSCGKSA-N 2 1 275.396 2.027 20 0 CEADMP COc1c(C)nc(C2CC2)nc1N1CCN(C(C)C)CC1 ZINC000571694659 299324132 /nfs/dbraw/zinc/32/41/32/299324132.db2.gz MEGXXDGBDDIBFN-UHFFFAOYSA-N 2 1 290.411 2.201 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000638675217 370678670 /nfs/dbraw/zinc/67/86/70/370678670.db2.gz QDPFMFHACZFUKA-YPMHNXCESA-N 2 1 253.415 2.455 20 0 CEADMP COCC[NH+]1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000237122622 370692255 /nfs/dbraw/zinc/69/22/55/370692255.db2.gz SUBYKLYUPRKAFH-UHFFFAOYSA-N 2 1 287.407 2.368 20 0 CEADMP C[C@H](Cc1cnccn1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000638700355 370695370 /nfs/dbraw/zinc/69/53/70/370695370.db2.gz GGZQRGBWEDWVDZ-WPXLMEDKSA-N 2 1 274.412 2.013 20 0 CEADMP C[C@H](Cc1cnccn1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000638700355 370695372 /nfs/dbraw/zinc/69/53/72/370695372.db2.gz GGZQRGBWEDWVDZ-WPXLMEDKSA-N 2 1 274.412 2.013 20 0 CEADMP C(COCC1CCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000571761956 299327146 /nfs/dbraw/zinc/32/71/46/299327146.db2.gz IGUULRQFNZSZFG-UHFFFAOYSA-N 2 1 252.402 2.020 20 0 CEADMP c1cn(-c2ccc(C[NH2+]CCC[NH+]3CCC3)cc2)cn1 ZINC000581736073 366818866 /nfs/dbraw/zinc/81/88/66/366818866.db2.gz KRRCCXVHOSQDEC-UHFFFAOYSA-N 2 1 270.380 2.058 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@](C)(CO)c1ccccc1 ZINC000678076273 541077424 /nfs/dbraw/zinc/07/74/24/541077424.db2.gz OQOFLOWCPYAHCU-KRWDZBQOSA-N 2 1 287.407 2.469 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1noc2ccccc12 ZINC000571820673 299330112 /nfs/dbraw/zinc/33/01/12/299330112.db2.gz HJVNXEMBDRVXJE-YPMHNXCESA-N 2 1 259.353 2.306 20 0 CEADMP CCOCC(C)(C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000342461077 216359464 /nfs/dbraw/zinc/35/94/64/216359464.db2.gz WDSPUCTVIHQFTB-UHFFFAOYSA-N 2 1 285.457 2.357 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)C1CC[NH+](C)CC1 ZINC000678598698 541156391 /nfs/dbraw/zinc/15/63/91/541156391.db2.gz MFFGRHRKEJLUMZ-SMDDNHRTSA-N 2 1 262.401 2.107 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CCCCO ZINC000679344242 541260562 /nfs/dbraw/zinc/26/05/62/541260562.db2.gz OOGRDFHAQQDBDQ-CYBMUJFWSA-N 2 1 253.390 2.112 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CCCCO ZINC000679341483 541260177 /nfs/dbraw/zinc/26/01/77/541260177.db2.gz HSNHMXFOYHQBQR-HUUCEWRRSA-N 2 1 256.434 2.392 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CCCCO ZINC000679341483 541260180 /nfs/dbraw/zinc/26/01/80/541260180.db2.gz HSNHMXFOYHQBQR-HUUCEWRRSA-N 2 1 256.434 2.392 20 0 CEADMP COc1ccccc1C[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000088204420 363882221 /nfs/dbraw/zinc/88/22/21/363882221.db2.gz JANUKHMPPNUIJO-GFCCVEGCSA-N 2 1 250.386 2.295 20 0 CEADMP COc1ccccc1C[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000088204420 363882223 /nfs/dbraw/zinc/88/22/23/363882223.db2.gz JANUKHMPPNUIJO-GFCCVEGCSA-N 2 1 250.386 2.295 20 0 CEADMP COc1ccccc1OCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000088413734 363895123 /nfs/dbraw/zinc/89/51/23/363895123.db2.gz DSMXASRPLFVVPR-AWEZNQCLSA-N 2 1 278.396 2.277 20 0 CEADMP O[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000089160419 363940113 /nfs/dbraw/zinc/94/01/13/363940113.db2.gz DGNNPPJJWZDMLH-FUHWJXTLSA-N 2 1 288.435 2.402 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](OC(F)F)C1 ZINC000679678381 541308000 /nfs/dbraw/zinc/30/80/00/541308000.db2.gz AKWSXHCAHNYOTR-NEPJUHHUSA-N 2 1 262.344 2.174 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](OC(F)F)C1 ZINC000679678381 541308004 /nfs/dbraw/zinc/30/80/04/541308004.db2.gz AKWSXHCAHNYOTR-NEPJUHHUSA-N 2 1 262.344 2.174 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679678381 541308006 /nfs/dbraw/zinc/30/80/06/541308006.db2.gz AKWSXHCAHNYOTR-NEPJUHHUSA-N 2 1 262.344 2.174 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000679678381 541308007 /nfs/dbraw/zinc/30/80/07/541308007.db2.gz AKWSXHCAHNYOTR-NEPJUHHUSA-N 2 1 262.344 2.174 20 0 CEADMP COc1ccc(OC)c(C[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000093861250 364235108 /nfs/dbraw/zinc/23/51/08/364235108.db2.gz ULIROBRAROASGE-UHFFFAOYSA-N 2 1 266.385 2.121 20 0 CEADMP COc1ccc(OC)c(C[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000093861250 364235111 /nfs/dbraw/zinc/23/51/11/364235111.db2.gz ULIROBRAROASGE-UHFFFAOYSA-N 2 1 266.385 2.121 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000334993375 364321893 /nfs/dbraw/zinc/32/18/93/364321893.db2.gz PXDUWWYNARECGB-INIZCTEOSA-N 2 1 259.397 2.274 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000334993375 364321897 /nfs/dbraw/zinc/32/18/97/364321897.db2.gz PXDUWWYNARECGB-INIZCTEOSA-N 2 1 259.397 2.274 20 0 CEADMP Cc1c(Cl)c(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)nn1C ZINC000334996385 364326816 /nfs/dbraw/zinc/32/68/16/364326816.db2.gz XOYRKOXSJDMGMB-LLVKDONJSA-N 2 1 293.802 2.485 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334969673 364297514 /nfs/dbraw/zinc/29/75/14/364297514.db2.gz XGYOFFCUQOGBMV-ZFWWWQNUSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334969673 364297522 /nfs/dbraw/zinc/29/75/22/364297522.db2.gz XGYOFFCUQOGBMV-ZFWWWQNUSA-N 2 1 263.385 2.255 20 0 CEADMP C[C@H](CCCO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000094942553 364311122 /nfs/dbraw/zinc/31/11/22/364311122.db2.gz WRNOKABKFDDMLC-MRXNPFEDSA-N 2 1 290.451 2.444 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C2CC2)CC1 ZINC000340288612 366836493 /nfs/dbraw/zinc/83/64/93/366836493.db2.gz OZCWBCPSUORKGX-MRXNPFEDSA-N 2 1 265.445 2.029 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C2CC2)CC1 ZINC000340288612 366836495 /nfs/dbraw/zinc/83/64/95/366836495.db2.gz OZCWBCPSUORKGX-MRXNPFEDSA-N 2 1 265.445 2.029 20 0 CEADMP FC1(F)CC[C@@H](C[N@H+]2CC[C@H](CN3CCOCC3)C2)C1 ZINC000340292351 366838006 /nfs/dbraw/zinc/83/80/06/366838006.db2.gz UAUFZEBZBALOPB-ZIAGYGMSSA-N 2 1 288.382 2.076 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000102422077 364595441 /nfs/dbraw/zinc/59/54/41/364595441.db2.gz HECXVAABTLWUKA-UHFFFAOYSA-N 2 1 290.407 2.020 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@H]1CCSC1)CC[NH2+]CC2 ZINC000335545188 364801396 /nfs/dbraw/zinc/80/13/96/364801396.db2.gz XSQXEYLAOWWVIA-QWHCGFSZSA-N 2 1 254.443 2.204 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000111696073 364753023 /nfs/dbraw/zinc/75/30/23/364753023.db2.gz SPZMXMDGXAGRBX-QWRGUYRKSA-N 2 1 268.323 2.015 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000335467745 364774043 /nfs/dbraw/zinc/77/40/43/364774043.db2.gz DNZZZAQGTIIPEH-PELKAZGASA-N 2 1 269.186 2.373 20 0 CEADMP c1cc2c(c(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c1)NCC2 ZINC000335632539 364817350 /nfs/dbraw/zinc/81/73/50/364817350.db2.gz HCEBHEDYNQMWMS-JKSUJKDBSA-N 2 1 285.435 2.476 20 0 CEADMP c1[nH]nc2c1cccc2C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335631320 212345364 /nfs/dbraw/zinc/34/53/64/212345364.db2.gz AHOTUZIOBZGNSZ-ZFWWWQNUSA-N 2 1 284.407 2.384 20 0 CEADMP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C)c(C[NH+](C)C)c1 ZINC000114076607 364925532 /nfs/dbraw/zinc/92/55/32/364925532.db2.gz DFSNXXFOUHVWPU-OAHLLOKOSA-N 2 1 275.396 2.089 20 0 CEADMP Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C)c(C[NH+](C)C)c1 ZINC000114076607 364925540 /nfs/dbraw/zinc/92/55/40/364925540.db2.gz DFSNXXFOUHVWPU-OAHLLOKOSA-N 2 1 275.396 2.089 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccccc2C)C1 ZINC000572253893 299354263 /nfs/dbraw/zinc/35/42/63/299354263.db2.gz DUQNTYKOGMFWII-HZPDHXFCSA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000572253893 299354266 /nfs/dbraw/zinc/35/42/66/299354266.db2.gz DUQNTYKOGMFWII-HZPDHXFCSA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000572253893 299354268 /nfs/dbraw/zinc/35/42/68/299354268.db2.gz DUQNTYKOGMFWII-HZPDHXFCSA-N 2 1 276.424 2.097 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000335866361 365089653 /nfs/dbraw/zinc/08/96/53/365089653.db2.gz XHBGXXHLORVDCI-GUYCJALGSA-N 2 1 284.407 2.350 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000335866361 365089659 /nfs/dbraw/zinc/08/96/59/365089659.db2.gz XHBGXXHLORVDCI-GUYCJALGSA-N 2 1 284.407 2.350 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2ccnc2)c1 ZINC000117746255 365122436 /nfs/dbraw/zinc/12/24/36/365122436.db2.gz JDLSNTGMQODZEL-MRXNPFEDSA-N 2 1 298.390 2.086 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1N(C)C ZINC000356909330 370800587 /nfs/dbraw/zinc/80/05/87/370800587.db2.gz BXJWYPRGORFHAS-DZGCQCFKSA-N 2 1 261.413 2.182 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1N(C)C ZINC000356909338 370800999 /nfs/dbraw/zinc/80/09/99/370800999.db2.gz BXJWYPRGORFHAS-ZFWWWQNUSA-N 2 1 261.413 2.182 20 0 CEADMP C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C[NH+]1CCCC1 ZINC000245401421 370812928 /nfs/dbraw/zinc/81/29/28/370812928.db2.gz ZUDLNWMISOZCCK-FXUDXRNXSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)C[NH+]1CCCC1 ZINC000245401421 370812932 /nfs/dbraw/zinc/81/29/32/370812932.db2.gz ZUDLNWMISOZCCK-FXUDXRNXSA-N 3 1 267.461 2.037 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C[NH+]1CCCC1 ZINC000245401421 370812933 /nfs/dbraw/zinc/81/29/33/370812933.db2.gz ZUDLNWMISOZCCK-FXUDXRNXSA-N 3 1 267.461 2.037 20 0 CEADMP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000119834911 365332272 /nfs/dbraw/zinc/33/22/72/365332272.db2.gz HNAZGIRLUCPSMH-DZGCQCFKSA-N 2 1 262.397 2.433 20 0 CEADMP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000119834911 365332278 /nfs/dbraw/zinc/33/22/78/365332278.db2.gz HNAZGIRLUCPSMH-DZGCQCFKSA-N 2 1 262.397 2.433 20 0 CEADMP c1cnn(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)c1 ZINC000336106489 365415794 /nfs/dbraw/zinc/41/57/94/365415794.db2.gz ROBJUTCZKMOFKT-NVXWUHKLSA-N 2 1 282.391 2.056 20 0 CEADMP c1cnn(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)c1 ZINC000336106489 365415798 /nfs/dbraw/zinc/41/57/98/365415798.db2.gz ROBJUTCZKMOFKT-NVXWUHKLSA-N 2 1 282.391 2.056 20 0 CEADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)C(C)C ZINC000120230812 365392760 /nfs/dbraw/zinc/39/27/60/365392760.db2.gz AVDLEXXBHQKLKL-OAHLLOKOSA-N 2 1 297.487 2.342 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN(CCC1CCCCC1)CC(N)=O ZINC000120687058 365460576 /nfs/dbraw/zinc/46/05/76/365460576.db2.gz KGBIIJYDKFVCNQ-INIZCTEOSA-N 2 1 295.471 2.228 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000340469802 366896960 /nfs/dbraw/zinc/89/69/60/366896960.db2.gz MCQNVRYEFAPUJZ-KRWDZBQOSA-N 2 1 292.423 2.328 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cn[nH]c1 ZINC000340473043 366898676 /nfs/dbraw/zinc/89/86/76/366898676.db2.gz GCAJFWPGWUMXLP-MJBXVCDLSA-N 2 1 264.417 2.428 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cn[nH]c1 ZINC000340473043 366898683 /nfs/dbraw/zinc/89/86/83/366898683.db2.gz GCAJFWPGWUMXLP-MJBXVCDLSA-N 2 1 264.417 2.428 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000582677633 366944682 /nfs/dbraw/zinc/94/46/82/366944682.db2.gz SXKXTCLZOIJQMJ-NPJQDHAYSA-N 2 1 267.461 2.212 20 0 CEADMP CC[C@H](CSC)[N@H+](C)CCCc1c[nH+]cn1C ZINC000582853423 366967315 /nfs/dbraw/zinc/96/73/15/366967315.db2.gz DBBSDLOPCLEXLA-GFCCVEGCSA-N 2 1 255.431 2.426 20 0 CEADMP CC[C@H](CSC)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000582853423 366967319 /nfs/dbraw/zinc/96/73/19/366967319.db2.gz DBBSDLOPCLEXLA-GFCCVEGCSA-N 2 1 255.431 2.426 20 0 CEADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000582912735 366976231 /nfs/dbraw/zinc/97/62/31/366976231.db2.gz GUQUFDFCOIDPCH-ILXRZTDVSA-N 2 1 256.434 2.248 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000340715680 367000284 /nfs/dbraw/zinc/00/02/84/367000284.db2.gz XIJUTGBITUWFKX-ZOBUZTSGSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H](C[N@H+]1CC[C@@H](c2nccn2C)C1)C(F)(F)F ZINC000583330217 367033912 /nfs/dbraw/zinc/03/39/12/367033912.db2.gz QPEWNCWRHNKSJK-VHSXEESVSA-N 2 1 261.291 2.408 20 0 CEADMP Cc1cccc(NC(=O)C[N@H+](C)CCn2ccnc2)c1C ZINC000162230152 367146495 /nfs/dbraw/zinc/14/64/95/367146495.db2.gz ZCZUYFNDJHUBSW-UHFFFAOYSA-N 2 1 286.379 2.070 20 0 CEADMP Cc1cccc(NC(=O)C[N@@H+](C)CCn2ccnc2)c1C ZINC000162230152 367146506 /nfs/dbraw/zinc/14/65/06/367146506.db2.gz ZCZUYFNDJHUBSW-UHFFFAOYSA-N 2 1 286.379 2.070 20 0 CEADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000162731789 367185845 /nfs/dbraw/zinc/18/58/45/367185845.db2.gz FPNRRCREPBHYML-ZMSDIMECSA-N 2 1 287.451 2.367 20 0 CEADMP Cn1ccnc1C[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245637383 370853063 /nfs/dbraw/zinc/85/30/63/370853063.db2.gz RQRCDLVBIVYQNW-HZPDHXFCSA-N 3 1 290.455 2.159 20 0 CEADMP Cn1ccnc1C[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245637383 370853069 /nfs/dbraw/zinc/85/30/69/370853069.db2.gz RQRCDLVBIVYQNW-HZPDHXFCSA-N 3 1 290.455 2.159 20 0 CEADMP Cn1ccnc1C[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245637383 370853074 /nfs/dbraw/zinc/85/30/74/370853074.db2.gz RQRCDLVBIVYQNW-HZPDHXFCSA-N 3 1 290.455 2.159 20 0 CEADMP Cn1cc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)cn1 ZINC000162932755 367204791 /nfs/dbraw/zinc/20/47/91/367204791.db2.gz YGLFQRXTDIOUFI-LSDHHAIUSA-N 2 1 262.401 2.041 20 0 CEADMP Cn1cc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)cn1 ZINC000162932755 367204793 /nfs/dbraw/zinc/20/47/93/367204793.db2.gz YGLFQRXTDIOUFI-LSDHHAIUSA-N 2 1 262.401 2.041 20 0 CEADMP Cn1cc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cn1 ZINC000162932755 367204795 /nfs/dbraw/zinc/20/47/95/367204795.db2.gz YGLFQRXTDIOUFI-LSDHHAIUSA-N 2 1 262.401 2.041 20 0 CEADMP Cn1cc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)cn1 ZINC000162932755 367204798 /nfs/dbraw/zinc/20/47/98/367204798.db2.gz YGLFQRXTDIOUFI-LSDHHAIUSA-N 2 1 262.401 2.041 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCNc1ccccn1 ZINC000163819287 367266402 /nfs/dbraw/zinc/26/64/02/367266402.db2.gz TWNOVOXBWDQYLD-ILXRZTDVSA-N 2 1 276.428 2.202 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000163240144 367226358 /nfs/dbraw/zinc/22/63/58/367226358.db2.gz ZNCLJZMACRLNEU-NEPJUHHUSA-N 2 1 268.788 2.388 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2nccn2CC(C)C)[C@H](C)C1 ZINC000164782705 367296582 /nfs/dbraw/zinc/29/65/82/367296582.db2.gz JHYUWMKTGSUGRJ-HUUCEWRRSA-N 2 1 278.444 2.359 20 0 CEADMP COc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000631564208 367404069 /nfs/dbraw/zinc/40/40/69/367404069.db2.gz FIPGWGHJNLVDQH-MRXNPFEDSA-N 2 1 260.381 2.366 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631669740 367475238 /nfs/dbraw/zinc/47/52/38/367475238.db2.gz KFFZNFMUCQXDLU-LEUOFYLZSA-N 2 1 288.435 2.258 20 0 CEADMP CC1(C)CC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000342708629 367493192 /nfs/dbraw/zinc/49/31/92/367493192.db2.gz LLQJMPMOEYEDIY-UONOGXRCSA-N 2 1 254.418 2.002 20 0 CEADMP COc1ccc2c(c1)CC[C@H]2[NH2+]CCc1c[nH+]cn1C ZINC000631622218 367444728 /nfs/dbraw/zinc/44/47/28/367444728.db2.gz OHZYVMOPIYRYMX-MRXNPFEDSA-N 2 1 271.364 2.248 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](CC)CC1 ZINC000342785121 367535177 /nfs/dbraw/zinc/53/51/77/367535177.db2.gz TVAQPNLTKWOFRX-UHFFFAOYSA-N 2 1 283.460 2.053 20 0 CEADMP C(c1nc(C2CCC2)no1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000631826456 367563663 /nfs/dbraw/zinc/56/36/63/367563663.db2.gz NMTZCKDIVHGWND-CQSZACIVSA-N 2 1 290.411 2.159 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000631829372 367567340 /nfs/dbraw/zinc/56/73/40/367567340.db2.gz OXKRBHZAZMBVJI-CBBWQLFWSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000631826145 367564567 /nfs/dbraw/zinc/56/45/67/367564567.db2.gz FZMAPWRYNPDVAR-DZGCQCFKSA-N 2 1 254.418 2.252 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000631752971 367522674 /nfs/dbraw/zinc/52/26/74/367522674.db2.gz AMWVMSQRBBWAFG-MJDLHHQISA-N 2 1 262.319 2.400 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc3c1CCOC3)C2 ZINC000631829635 367567739 /nfs/dbraw/zinc/56/77/39/367567739.db2.gz WMHOWGAREIUCOG-WMZOPIPTSA-N 2 1 286.419 2.320 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](NCC[NH+](C(C)C)C(C)C)C1 ZINC000342865337 367578257 /nfs/dbraw/zinc/57/82/57/367578257.db2.gz FJCHFTMRGWHVQP-HUUCEWRRSA-N 2 1 255.450 2.035 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000631843079 367585882 /nfs/dbraw/zinc/58/58/82/367585882.db2.gz JDOLHCJQPWLNSV-ZYHUDNBSSA-N 2 1 296.798 2.138 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000631843079 367585885 /nfs/dbraw/zinc/58/58/85/367585885.db2.gz JDOLHCJQPWLNSV-ZYHUDNBSSA-N 2 1 296.798 2.138 20 0 CEADMP COc1ccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631888209 367610149 /nfs/dbraw/zinc/61/01/49/367610149.db2.gz XHGSURLSNIZEOD-YOEHRIQHSA-N 2 1 290.407 2.148 20 0 CEADMP c1cn([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)cn1 ZINC000682028203 541621275 /nfs/dbraw/zinc/62/12/75/541621275.db2.gz YDDAPFMRFOQBOV-MRXNPFEDSA-N 2 1 276.428 2.396 20 0 CEADMP c1cn([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)cn1 ZINC000682028203 541621280 /nfs/dbraw/zinc/62/12/80/541621280.db2.gz YDDAPFMRFOQBOV-MRXNPFEDSA-N 2 1 276.428 2.396 20 0 CEADMP CC(C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000343251936 367726850 /nfs/dbraw/zinc/72/68/50/367726850.db2.gz NKURYRKECKKMPE-ZNMIVQPWSA-N 2 1 254.418 2.169 20 0 CEADMP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCO[C@@]4(CCSC4)C3)CC[N@H+]2C1 ZINC000245920360 370888744 /nfs/dbraw/zinc/88/87/44/370888744.db2.gz GRZVGFPTSZYLDL-QXSJWSMHSA-N 2 1 296.480 2.258 20 0 CEADMP COc1ccc(C)cc1CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000358063248 370890997 /nfs/dbraw/zinc/89/09/97/370890997.db2.gz OEURVMVHJWMDPQ-ZBFHGGJFSA-N 2 1 276.424 2.476 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000173790125 367945080 /nfs/dbraw/zinc/94/50/80/367945080.db2.gz IENMUWWLHHITCV-QZTJIDSGSA-N 2 1 290.451 2.254 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000343783637 368001126 /nfs/dbraw/zinc/00/11/26/368001126.db2.gz MTCIDRLMCFNSJJ-DOTOQJQBSA-N 2 1 295.471 2.289 20 0 CEADMP CC[N@H+]1C[C@H](NC[C@@H](C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000343902872 368067854 /nfs/dbraw/zinc/06/78/54/368067854.db2.gz TWERRHGVPWJXHE-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@@H+]1C[C@H](NC[C@@H](C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000343902872 368067856 /nfs/dbraw/zinc/06/78/56/368067856.db2.gz TWERRHGVPWJXHE-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP Cc1ncsc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000174350206 368014014 /nfs/dbraw/zinc/01/40/14/368014014.db2.gz CQHKZUUXAIYYLF-SNVBAGLBSA-N 2 1 264.398 2.382 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C12CCC2 ZINC000344175016 368111914 /nfs/dbraw/zinc/11/19/14/368111914.db2.gz SFCFHTIZOXYNED-ARILJUKYSA-N 2 1 266.429 2.262 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C12CCC2 ZINC000344175016 368111920 /nfs/dbraw/zinc/11/19/20/368111920.db2.gz SFCFHTIZOXYNED-ARILJUKYSA-N 2 1 266.429 2.262 20 0 CEADMP C[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCC[C@H]1C ZINC000344637718 368130549 /nfs/dbraw/zinc/13/05/49/368130549.db2.gz FYMGKZYTQSKXFU-LVQVYYBASA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000344637718 368130555 /nfs/dbraw/zinc/13/05/55/368130555.db2.gz FYMGKZYTQSKXFU-LVQVYYBASA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[N@H+]1CCCC[C@H]1C ZINC000344637718 368130559 /nfs/dbraw/zinc/13/05/59/368130559.db2.gz FYMGKZYTQSKXFU-LVQVYYBASA-N 2 1 295.471 2.238 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccccn2)[C@H](C)C1 ZINC000175728650 368169214 /nfs/dbraw/zinc/16/92/14/368169214.db2.gz BWKFZWGIAIRMLI-ZBFHGGJFSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccccn2)[C@H](C)C1 ZINC000175728650 368169220 /nfs/dbraw/zinc/16/92/20/368169220.db2.gz BWKFZWGIAIRMLI-ZBFHGGJFSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccccn2)[C@H](C)C1 ZINC000175728650 368169224 /nfs/dbraw/zinc/16/92/24/368169224.db2.gz BWKFZWGIAIRMLI-ZBFHGGJFSA-N 2 1 261.413 2.286 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2)[C@@H](C)C1 ZINC000345160235 368174597 /nfs/dbraw/zinc/17/45/97/368174597.db2.gz PKVQNTANOSLJJD-JQHSSLGASA-N 2 1 290.451 2.158 20 0 CEADMP C[C@H]1[C@H](NC(=O)c2sccc2C[NH+](C)C)CCC[N@@H+]1C ZINC000345323900 368236594 /nfs/dbraw/zinc/23/65/94/368236594.db2.gz PYSIPKJZNSDSJW-WCQYABFASA-N 2 1 295.452 2.022 20 0 CEADMP C[C@H]1[C@H](NC(=O)c2sccc2C[NH+](C)C)CCC[N@H+]1C ZINC000345323900 368236597 /nfs/dbraw/zinc/23/65/97/368236597.db2.gz PYSIPKJZNSDSJW-WCQYABFASA-N 2 1 295.452 2.022 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCOCC(F)(F)F ZINC000177920531 368283448 /nfs/dbraw/zinc/28/34/48/368283448.db2.gz YISFFBPJBYELLP-WOPDTQHZSA-N 2 1 282.350 2.274 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cncs2)C[C@H](C)O1 ZINC000178619686 368306043 /nfs/dbraw/zinc/30/60/43/368306043.db2.gz BNOCRLKQZZHDFX-BETUJISGSA-N 2 1 283.441 2.122 20 0 CEADMP CCC(CC)(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C(=O)OC ZINC000181162756 368426955 /nfs/dbraw/zinc/42/69/55/368426955.db2.gz XURIVUZNCBJMEV-BFHYXJOUSA-N 2 1 284.444 2.284 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)c(C)n1 ZINC000682648445 541692555 /nfs/dbraw/zinc/69/25/55/541692555.db2.gz STLZYKZBZSJNER-GFCCVEGCSA-N 2 1 258.369 2.325 20 0 CEADMP CCC[N@@H+](CCn1ccnc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000346313398 368631557 /nfs/dbraw/zinc/63/15/57/368631557.db2.gz PYHFHQNYNPXVLI-RRFJBIMHSA-N 2 1 277.412 2.409 20 0 CEADMP COCCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000183945527 368659636 /nfs/dbraw/zinc/65/96/36/368659636.db2.gz DSXIJLKLMZVRNQ-MGPQQGTHSA-N 2 1 256.434 2.367 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000358088031 370899051 /nfs/dbraw/zinc/89/90/51/370899051.db2.gz ZDKNQOVTJSHZAL-OLZOCXBDSA-N 2 1 280.416 2.055 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000246014180 370900197 /nfs/dbraw/zinc/90/01/97/370900197.db2.gz LLWIJLGGWJYWAI-HOCLYGCPSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000246014180 370900199 /nfs/dbraw/zinc/90/01/99/370900199.db2.gz LLWIJLGGWJYWAI-HOCLYGCPSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@@H]1C[C@@H](N(CCC[NH3+])c2cccc(F)c2)CC[N@H+]1C ZINC000639037218 370916510 /nfs/dbraw/zinc/91/65/10/370916510.db2.gz GUADMAKWEHVZKG-CJNGLKHVSA-N 2 1 279.403 2.464 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000346655457 368754740 /nfs/dbraw/zinc/75/47/40/368754740.db2.gz RVCOPFMLGWSZHQ-ZFWWWQNUSA-N 2 1 270.380 2.041 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000346660954 368757651 /nfs/dbraw/zinc/75/76/51/368757651.db2.gz AOQXQHDBHCYDTM-IPYPFGDCSA-N 2 1 262.397 2.468 20 0 CEADMP CC(C)CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688193 368843444 /nfs/dbraw/zinc/84/34/44/368843444.db2.gz COJIVHRUANDHHQ-LSDHHAIUSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185688193 368843447 /nfs/dbraw/zinc/84/34/47/368843447.db2.gz COJIVHRUANDHHQ-LSDHHAIUSA-N 2 1 295.471 2.001 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634678709 368808113 /nfs/dbraw/zinc/80/81/13/368808113.db2.gz BKIUHUZZEBZRNN-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP O[C@@]1(C[NH2+]CCC2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634706692 368831773 /nfs/dbraw/zinc/83/17/73/368831773.db2.gz TXGPBSPUSJXCEK-QGZVFWFLSA-N 2 1 274.408 2.013 20 0 CEADMP O[C@@]1(C[NH2+]CCC2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634706692 368831779 /nfs/dbraw/zinc/83/17/79/368831779.db2.gz TXGPBSPUSJXCEK-QGZVFWFLSA-N 2 1 274.408 2.013 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347955251 368839430 /nfs/dbraw/zinc/83/94/30/368839430.db2.gz LWUUMNIFMDGRNC-DZKIICNBSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@]1(C)C1CCCCC1 ZINC000634652623 368799102 /nfs/dbraw/zinc/79/91/02/368799102.db2.gz VWOGCOBOBZERLJ-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@]1(C)C1CCCCC1 ZINC000634652623 368799108 /nfs/dbraw/zinc/79/91/08/368799108.db2.gz VWOGCOBOBZERLJ-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@]1(C)C1CCCCC1 ZINC000634652623 368799111 /nfs/dbraw/zinc/79/91/11/368799111.db2.gz VWOGCOBOBZERLJ-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H]1CO[C@@H](C)C[N@H+]1CCCCn1ccnc1C ZINC000348036970 368867034 /nfs/dbraw/zinc/86/70/34/368867034.db2.gz AZCPMCNPQZPQJH-ZFWWWQNUSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@H]1CO[C@@H](C)C[N@H+]1CCCCn1cc[nH+]c1C ZINC000348036970 368867047 /nfs/dbraw/zinc/86/70/47/368867047.db2.gz AZCPMCNPQZPQJH-ZFWWWQNUSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1ccncc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000348055241 368876707 /nfs/dbraw/zinc/87/67/07/368876707.db2.gz ZAICFXBUVAJDGC-GDBMZVCRSA-N 2 1 261.413 2.395 20 0 CEADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000348127443 368910412 /nfs/dbraw/zinc/91/04/12/368910412.db2.gz RYLKOVKRXWIXIB-KZNAEPCWSA-N 2 1 288.435 2.402 20 0 CEADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000348127443 368910417 /nfs/dbraw/zinc/91/04/17/368910417.db2.gz RYLKOVKRXWIXIB-KZNAEPCWSA-N 2 1 288.435 2.402 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000348001479 368853449 /nfs/dbraw/zinc/85/34/49/368853449.db2.gz LJVUYORIFRIPEA-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000348001479 368853456 /nfs/dbraw/zinc/85/34/56/368853456.db2.gz LJVUYORIFRIPEA-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC000348311851 368996490 /nfs/dbraw/zinc/99/64/90/368996490.db2.gz KAXJRROFVPHZLF-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)[C@@H]1CCC[NH2+]1 ZINC000635010862 369046816 /nfs/dbraw/zinc/04/68/16/369046816.db2.gz BNRACNLZQSHLLN-QWRGUYRKSA-N 2 1 290.333 2.022 20 0 CEADMP OCC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)c(F)c1 ZINC000634997615 369028132 /nfs/dbraw/zinc/02/81/32/369028132.db2.gz PCHIWWUWIOVRDX-AWEZNQCLSA-N 2 1 286.778 2.244 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1C[NH3+] ZINC000634998268 369029917 /nfs/dbraw/zinc/02/99/17/369029917.db2.gz CTJQEYNPJNDTHK-TZMCWYRMSA-N 2 1 288.370 2.038 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CCC[C@H]3C[NH3+])C2)cc1 ZINC000635012062 369050349 /nfs/dbraw/zinc/05/03/49/369050349.db2.gz IYGKFHKAYOYZJQ-BZSNNMDCSA-N 2 1 287.451 2.286 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H]3CCC[C@H]3C[NH3+])C2)cc1 ZINC000635012062 369050351 /nfs/dbraw/zinc/05/03/51/369050351.db2.gz IYGKFHKAYOYZJQ-BZSNNMDCSA-N 2 1 287.451 2.286 20 0 CEADMP COCC[NH+]1CCC([NH2+]C2CC(C(F)(F)F)C2)CC1 ZINC000348677089 369118797 /nfs/dbraw/zinc/11/87/97/369118797.db2.gz FFQHWPVZFWVDOZ-UHFFFAOYSA-N 2 1 280.334 2.028 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](CO)C2)[C@H]2CCC[C@@H]21 ZINC000348693652 369123071 /nfs/dbraw/zinc/12/30/71/369123071.db2.gz HDTZVIUACFWVTO-ALYAQQCSSA-N 2 1 280.456 2.248 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635326186 369140182 /nfs/dbraw/zinc/14/01/82/369140182.db2.gz VFUFOHDVQPITPJ-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP COC[C@@H](C)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000187643713 369192901 /nfs/dbraw/zinc/19/29/01/369192901.db2.gz RZQDERNEJKIVKC-HNNXBMFYSA-N 2 1 276.424 2.307 20 0 CEADMP COC[C@@H](C)C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000187643713 369192906 /nfs/dbraw/zinc/19/29/06/369192906.db2.gz RZQDERNEJKIVKC-HNNXBMFYSA-N 2 1 276.424 2.307 20 0 CEADMP CC[NH+](CC)CCCCNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635555507 369216654 /nfs/dbraw/zinc/21/66/54/369216654.db2.gz DJBWITDOPLJRTQ-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@H]1CCSC1 ZINC000349069958 369234846 /nfs/dbraw/zinc/23/48/46/369234846.db2.gz AASLIANOFRZWPG-CVEARBPZSA-N 2 1 299.528 2.087 20 0 CEADMP C[C@@H](N[C@H]1C[N@H+](C)C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000349428285 369326571 /nfs/dbraw/zinc/32/65/71/369326571.db2.gz YFCVTULIKPYDRC-TXCZRRACSA-N 2 1 275.440 2.218 20 0 CEADMP C[C@@H](N[C@H]1C[N@@H+](C)C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000349428285 369326576 /nfs/dbraw/zinc/32/65/76/369326576.db2.gz YFCVTULIKPYDRC-TXCZRRACSA-N 2 1 275.440 2.218 20 0 CEADMP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ncc(Cl)s1 ZINC000349656845 369362102 /nfs/dbraw/zinc/36/21/02/369362102.db2.gz REUGFIZAYRDKGM-JTQLQIEISA-N 2 1 291.848 2.243 20 0 CEADMP CCCN(CC[NH+]1CCCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635920923 369404853 /nfs/dbraw/zinc/40/48/53/369404853.db2.gz DZZGPEJNSYUSPU-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP CN(C(=O)C[NH+](C)CC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000635922327 369406565 /nfs/dbraw/zinc/40/65/65/369406565.db2.gz PZECXTIHCBPIBQ-YIONKMFJSA-N 2 1 295.471 2.048 20 0 CEADMP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000635922327 369406568 /nfs/dbraw/zinc/40/65/68/369406568.db2.gz PZECXTIHCBPIBQ-YIONKMFJSA-N 2 1 295.471 2.048 20 0 CEADMP CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000635922327 369406575 /nfs/dbraw/zinc/40/65/75/369406575.db2.gz PZECXTIHCBPIBQ-YIONKMFJSA-N 2 1 295.471 2.048 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000635938592 369413806 /nfs/dbraw/zinc/41/38/06/369413806.db2.gz SDSWPTLRMLKGCD-AWEZNQCLSA-N 2 1 294.443 2.243 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000635938592 369413809 /nfs/dbraw/zinc/41/38/09/369413809.db2.gz SDSWPTLRMLKGCD-AWEZNQCLSA-N 2 1 294.443 2.243 20 0 CEADMP C[C@@H](O)[C@](C)(C[NH2+]C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000188900685 369425933 /nfs/dbraw/zinc/42/59/33/369425933.db2.gz ATRYWYDGRCFFLY-QAPCUYQASA-N 2 1 290.451 2.300 20 0 CEADMP CCc1ccccc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000189037324 369446863 /nfs/dbraw/zinc/44/68/63/369446863.db2.gz LSDPOPOLMDCKDD-MRXNPFEDSA-N 2 1 288.435 2.403 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000358248327 370970080 /nfs/dbraw/zinc/97/00/80/370970080.db2.gz GOIHQEAYUOCQMU-SQNIBIBYSA-N 2 1 288.435 2.054 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000358248327 370970086 /nfs/dbraw/zinc/97/00/86/370970086.db2.gz GOIHQEAYUOCQMU-SQNIBIBYSA-N 2 1 288.435 2.054 20 0 CEADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358250262 370972074 /nfs/dbraw/zinc/97/20/74/370972074.db2.gz LEYGWZVGIBEMJP-HOCLYGCPSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000358250262 370972076 /nfs/dbraw/zinc/97/20/76/370972076.db2.gz LEYGWZVGIBEMJP-HOCLYGCPSA-N 2 1 262.397 2.021 20 0 CEADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358253174 370974762 /nfs/dbraw/zinc/97/47/62/370974762.db2.gz NPHKFXGSFOATRU-RBSFLKMASA-N 2 1 254.418 2.002 20 0 CEADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358253174 370974765 /nfs/dbraw/zinc/97/47/65/370974765.db2.gz NPHKFXGSFOATRU-RBSFLKMASA-N 2 1 254.418 2.002 20 0 CEADMP CCC[C@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358257049 370975937 /nfs/dbraw/zinc/97/59/37/370975937.db2.gz RYRSVTMXQMWNBD-MSOLQXFVSA-N 2 1 290.451 2.444 20 0 CEADMP CCC[C@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358257049 370975941 /nfs/dbraw/zinc/97/59/41/370975941.db2.gz RYRSVTMXQMWNBD-MSOLQXFVSA-N 2 1 290.451 2.444 20 0 CEADMP C[C@@H](C[NH2+]CC1=CC[N@@H+](C)CC1)CC1CCOCC1 ZINC000350038504 369489479 /nfs/dbraw/zinc/48/94/79/369489479.db2.gz PEYWKQVVHVRXKN-CQSZACIVSA-N 2 1 266.429 2.291 20 0 CEADMP C[C@H](C[NH2+]CC1=CC[N@@H+](C)CC1)CC1CCOCC1 ZINC000350038502 369489692 /nfs/dbraw/zinc/48/96/92/369489692.db2.gz PEYWKQVVHVRXKN-AWEZNQCLSA-N 2 1 266.429 2.291 20 0 CEADMP CCCc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358261819 370980264 /nfs/dbraw/zinc/98/02/64/370980264.db2.gz WPXBRPVMTWGEAU-WMLDXEAASA-N 2 1 276.424 2.356 20 0 CEADMP CCCc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358261819 370980267 /nfs/dbraw/zinc/98/02/67/370980267.db2.gz WPXBRPVMTWGEAU-WMLDXEAASA-N 2 1 276.424 2.356 20 0 CEADMP CC(C)[N@H+]1CCCN(CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000351548942 369639959 /nfs/dbraw/zinc/63/99/59/369639959.db2.gz WCTIRCCLGBZKGZ-INIZCTEOSA-N 2 1 267.461 2.277 20 0 CEADMP CC(C)[NH+]1CCCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351548942 369639964 /nfs/dbraw/zinc/63/99/64/369639964.db2.gz WCTIRCCLGBZKGZ-INIZCTEOSA-N 2 1 267.461 2.277 20 0 CEADMP CC(C)[NH+]1CCCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351548942 369639968 /nfs/dbraw/zinc/63/99/68/369639968.db2.gz WCTIRCCLGBZKGZ-INIZCTEOSA-N 2 1 267.461 2.277 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCOc1cccc(F)c1 ZINC000352517670 369770267 /nfs/dbraw/zinc/77/02/67/369770267.db2.gz FHEBRKVICIMEDX-AWEZNQCLSA-N 2 1 266.360 2.408 20 0 CEADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000191612768 369726160 /nfs/dbraw/zinc/72/61/60/369726160.db2.gz ORXFJUJKDHFCLA-CWLKWCNXSA-N 2 1 290.451 2.217 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCO[C@@H](C)C1 ZINC000352618406 369809621 /nfs/dbraw/zinc/80/96/21/369809621.db2.gz QAFCGVLUUOUWAG-JJXSEGSLSA-N 2 1 266.429 2.360 20 0 CEADMP CCc1ncc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000352534300 369776416 /nfs/dbraw/zinc/77/64/16/369776416.db2.gz FGCONBSYNGWDFC-LLVKDONJSA-N 2 1 253.415 2.409 20 0 CEADMP CCc1ncc(C[N@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000352534300 369776419 /nfs/dbraw/zinc/77/64/19/369776419.db2.gz FGCONBSYNGWDFC-LLVKDONJSA-N 2 1 253.415 2.409 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352545883 369781846 /nfs/dbraw/zinc/78/18/46/369781846.db2.gz MTNZCWIVUFOIPK-ZDUSSCGKSA-N 2 1 278.444 2.248 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352744183 369865386 /nfs/dbraw/zinc/86/53/86/369865386.db2.gz YYKOWXRJPMVRRG-JSGCOSHPSA-N 2 1 297.468 2.498 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(C)cnn2C)c1 ZINC000352754468 369868023 /nfs/dbraw/zinc/86/80/23/369868023.db2.gz IOFNHVOEDSAJPY-UHFFFAOYSA-N 2 1 286.423 2.470 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC[C@@H]1CCC[N@H+]1C ZINC000352789606 369878904 /nfs/dbraw/zinc/87/89/04/369878904.db2.gz CIHLRRMXCZQXDV-PMPSAXMXSA-N 2 1 265.445 2.029 20 0 CEADMP Cc1cnn(C)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000352819520 369894860 /nfs/dbraw/zinc/89/48/60/369894860.db2.gz PJUYTFHOUZWSTN-CQSZACIVSA-N 2 1 278.444 2.330 20 0 CEADMP Cc1cn[nH]c1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000352827275 369900280 /nfs/dbraw/zinc/90/02/80/369900280.db2.gz XYMWCONNRKPRSP-AWEZNQCLSA-N 2 1 264.417 2.462 20 0 CEADMP Cc1c[nH]nc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000352827275 369900285 /nfs/dbraw/zinc/90/02/85/369900285.db2.gz XYMWCONNRKPRSP-AWEZNQCLSA-N 2 1 264.417 2.462 20 0 CEADMP Cc1c[nH]nc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000352827275 369900290 /nfs/dbraw/zinc/90/02/90/369900290.db2.gz XYMWCONNRKPRSP-AWEZNQCLSA-N 2 1 264.417 2.462 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C)c(OC)c2)C1 ZINC000194227554 370016738 /nfs/dbraw/zinc/01/67/38/370016738.db2.gz GCMRWTSTBYNWNB-OAHLLOKOSA-N 2 1 262.397 2.435 20 0 CEADMP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000194293233 370022828 /nfs/dbraw/zinc/02/28/28/370022828.db2.gz CKOVYEJDAKBBPG-AWEZNQCLSA-N 2 1 262.401 2.194 20 0 CEADMP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000194293233 370022829 /nfs/dbraw/zinc/02/28/29/370022829.db2.gz CKOVYEJDAKBBPG-AWEZNQCLSA-N 2 1 262.401 2.194 20 0 CEADMP C=Cn1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cn1 ZINC000194415672 370037137 /nfs/dbraw/zinc/03/71/37/370037137.db2.gz CBEORUJBYMOHHJ-AWEZNQCLSA-N 2 1 262.401 2.338 20 0 CEADMP C[C@@H]1CC[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)O1 ZINC000353155696 370044404 /nfs/dbraw/zinc/04/44/04/370044404.db2.gz PLFJCHXVZYVURH-MQAAVTGUSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@@H]1CC[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)O1 ZINC000353155696 370044409 /nfs/dbraw/zinc/04/44/09/370044409.db2.gz PLFJCHXVZYVURH-MQAAVTGUSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@@H]1CC[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)O1 ZINC000353155696 370044411 /nfs/dbraw/zinc/04/44/11/370044411.db2.gz PLFJCHXVZYVURH-MQAAVTGUSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C[N@H+]1C1CC1 ZINC000353535255 370116443 /nfs/dbraw/zinc/11/64/43/370116443.db2.gz VQRUMNJPMSRQPE-IEHFGQBSSA-N 2 1 277.456 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C[NH+]1C1CC1 ZINC000353535255 370116446 /nfs/dbraw/zinc/11/64/46/370116446.db2.gz VQRUMNJPMSRQPE-IEHFGQBSSA-N 2 1 277.456 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C[NH+]1C1CC1 ZINC000353535255 370116451 /nfs/dbraw/zinc/11/64/51/370116451.db2.gz VQRUMNJPMSRQPE-IEHFGQBSSA-N 2 1 277.456 2.074 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CN1C1CC1 ZINC000353535255 370116458 /nfs/dbraw/zinc/11/64/58/370116458.db2.gz VQRUMNJPMSRQPE-IEHFGQBSSA-N 2 1 277.456 2.074 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+](C)CC1 ZINC000353649734 370121035 /nfs/dbraw/zinc/12/10/35/370121035.db2.gz OGUKTWAQNCBKSQ-CABCVRRESA-N 3 1 297.512 2.030 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353929501 370141967 /nfs/dbraw/zinc/14/19/67/370141967.db2.gz MUUXWYFOHCUNQG-JONQDZQNSA-N 2 1 266.429 2.408 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000211112118 370161490 /nfs/dbraw/zinc/16/14/90/370161490.db2.gz PCSQARZIJBYMKG-ZDUSSCGKSA-N 2 1 262.397 2.397 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000221711603 370243170 /nfs/dbraw/zinc/24/31/70/370243170.db2.gz UPHQUGIOBQPBDK-JKSUJKDBSA-N 2 1 289.423 2.067 20 0 CEADMP C[N@H+](Cc1ccnn1CC1CCC1)CC1CC[NH+](C)CC1 ZINC000638028188 370252407 /nfs/dbraw/zinc/25/24/07/370252407.db2.gz AOFMCVXVGJYPDJ-UHFFFAOYSA-N 2 1 290.455 2.457 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2nc(CCC(C)C)no2)CC1 ZINC000354281393 370294110 /nfs/dbraw/zinc/29/41/10/370294110.db2.gz JVVMBSJPZJTUFO-UHFFFAOYSA-N 2 1 294.443 2.480 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1oc(C[NH3+])cc1C ZINC000638117829 370315569 /nfs/dbraw/zinc/31/55/69/370315569.db2.gz YBECPBKKEQGSNF-ZDUSSCGKSA-N 2 1 293.411 2.041 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227074297 370356999 /nfs/dbraw/zinc/35/69/99/370356999.db2.gz PXIZWZWQTHVDQV-KBPBESRZSA-N 2 1 278.396 2.133 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227074297 370357003 /nfs/dbraw/zinc/35/70/03/370357003.db2.gz PXIZWZWQTHVDQV-KBPBESRZSA-N 2 1 278.396 2.133 20 0 CEADMP CC[N@H+]1CC[C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000227538526 370372029 /nfs/dbraw/zinc/37/20/29/370372029.db2.gz PCRJVADIPKOMES-DAXOMENPSA-N 3 1 259.397 2.063 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000226434979 370342150 /nfs/dbraw/zinc/34/21/50/370342150.db2.gz QGWNTHWSROYSDH-CQSZACIVSA-N 2 1 292.423 2.444 20 0 CEADMP COc1ccc(OCC[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000226434889 370342297 /nfs/dbraw/zinc/34/22/97/370342297.db2.gz DPTQRXOZTGWPCL-CQSZACIVSA-N 2 1 278.396 2.005 20 0 CEADMP Cc1cccc(OCC[N@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC000226435280 370342535 /nfs/dbraw/zinc/34/25/35/370342535.db2.gz IURQNBZLYRYXGE-HNNXBMFYSA-N 2 1 262.397 2.305 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000229093080 370418677 /nfs/dbraw/zinc/41/86/77/370418677.db2.gz HFXSEINEJNRLFS-WFASDCNBSA-N 2 1 292.423 2.429 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000229093069 370419141 /nfs/dbraw/zinc/41/91/41/370419141.db2.gz HFXSEINEJNRLFS-DOMZBBRYSA-N 2 1 292.423 2.429 20 0 CEADMP COCC1(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CCC1 ZINC000638334625 370452187 /nfs/dbraw/zinc/45/21/87/370452187.db2.gz CAIMFIJUFMIQOB-CYBMUJFWSA-N 2 1 265.401 2.234 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(F)c1N ZINC000638338181 370453936 /nfs/dbraw/zinc/45/39/36/370453936.db2.gz SSNMKYRYKDXFKU-UHFFFAOYSA-N 2 1 253.365 2.228 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(F)c1N ZINC000638338181 370453940 /nfs/dbraw/zinc/45/39/40/370453940.db2.gz SSNMKYRYKDXFKU-UHFFFAOYSA-N 2 1 253.365 2.228 20 0 CEADMP C[C@H](C[NH2+]CCCc1cnn(C)c1)[N@@H+]1CCCC[C@H]1C ZINC000638361535 370471149 /nfs/dbraw/zinc/47/11/49/370471149.db2.gz QLFIMFAUZGMZKB-HUUCEWRRSA-N 2 1 278.444 2.205 20 0 CEADMP C[C@H](C[NH2+]CCCc1cnn(C)c1)[N@H+]1CCCC[C@H]1C ZINC000638361535 370471153 /nfs/dbraw/zinc/47/11/53/370471153.db2.gz QLFIMFAUZGMZKB-HUUCEWRRSA-N 2 1 278.444 2.205 20 0 CEADMP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000638415631 370514754 /nfs/dbraw/zinc/51/47/54/370514754.db2.gz OLFXZELCRWNGSS-ZBFHGGJFSA-N 2 1 295.471 2.273 20 0 CEADMP CC[N@@H+](CCCNC(=O)C1=CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000638383267 370488561 /nfs/dbraw/zinc/48/85/61/370488561.db2.gz GBJPWHPPSKIASZ-HNNXBMFYSA-N 2 1 293.455 2.195 20 0 CEADMP C[NH2+]Cc1ccccc1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000638384264 370489220 /nfs/dbraw/zinc/48/92/20/370489220.db2.gz CCQLVKYISNUJHG-UHFFFAOYSA-N 2 1 291.439 2.000 20 0 CEADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000638437594 370530920 /nfs/dbraw/zinc/53/09/20/370530920.db2.gz OXWGSUHNJLRMMM-HUUCEWRRSA-N 2 1 295.471 2.288 20 0 CEADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000638437594 370530923 /nfs/dbraw/zinc/53/09/23/370530923.db2.gz OXWGSUHNJLRMMM-HUUCEWRRSA-N 2 1 295.471 2.288 20 0 CEADMP CCC[C@H](C[N@H+](C)CCCn1cc[nH+]c1C)OC ZINC000639175246 371049744 /nfs/dbraw/zinc/04/97/44/371049744.db2.gz JZRGCBAEAWMQCH-CQSZACIVSA-N 2 1 253.390 2.329 20 0 CEADMP CCC[C@H](C[N@@H+](C)CCCn1cc[nH+]c1C)OC ZINC000639175246 371049746 /nfs/dbraw/zinc/04/97/46/371049746.db2.gz JZRGCBAEAWMQCH-CQSZACIVSA-N 2 1 253.390 2.329 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000246886858 371025900 /nfs/dbraw/zinc/02/59/00/371025900.db2.gz DRAXVEGLKLNXQP-KFWWJZLASA-N 2 1 264.417 2.334 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000246915350 371030834 /nfs/dbraw/zinc/03/08/34/371030834.db2.gz FVGPWBSPKGGKRI-NVXWUHKLSA-N 3 1 281.488 2.428 20 0 CEADMP CCN1CC[C@@H]([NH2+]CCC2CC[NH+](CC)CC2)[C@H](C)C1 ZINC000246915350 371030837 /nfs/dbraw/zinc/03/08/37/371030837.db2.gz FVGPWBSPKGGKRI-NVXWUHKLSA-N 2 1 281.488 2.428 20 0 CEADMP CCC[C@H](C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21)OC ZINC000639177291 371055290 /nfs/dbraw/zinc/05/52/90/371055290.db2.gz CFOXIKUQOXMMMK-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@H](C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21)OC ZINC000639177291 371055297 /nfs/dbraw/zinc/05/52/97/371055297.db2.gz CFOXIKUQOXMMMK-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@H](C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)OC ZINC000639177291 371055301 /nfs/dbraw/zinc/05/53/01/371055301.db2.gz CFOXIKUQOXMMMK-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cncc(F)c2)C1 ZINC000247066970 371057468 /nfs/dbraw/zinc/05/74/68/371057468.db2.gz OBQRVWXZTNLQOF-VXGBXAGGSA-N 2 1 251.349 2.213 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cncc(F)c2)C1 ZINC000247066970 371057477 /nfs/dbraw/zinc/05/74/77/371057477.db2.gz OBQRVWXZTNLQOF-VXGBXAGGSA-N 2 1 251.349 2.213 20 0 CEADMP C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000247101398 371064505 /nfs/dbraw/zinc/06/45/05/371064505.db2.gz SHOCRGKGZLDZNQ-YYIAUSFCSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N1CCC(C)CC1 ZINC000247101398 371064508 /nfs/dbraw/zinc/06/45/08/371064508.db2.gz SHOCRGKGZLDZNQ-YYIAUSFCSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N1CCC(C)CC1 ZINC000247101398 371064512 /nfs/dbraw/zinc/06/45/12/371064512.db2.gz SHOCRGKGZLDZNQ-YYIAUSFCSA-N 2 1 281.488 2.425 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)ccn1 ZINC000639192397 371074482 /nfs/dbraw/zinc/07/44/82/371074482.db2.gz TZGFOIJNSDCPQI-UONOGXRCSA-N 2 1 279.428 2.340 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)ccn1 ZINC000639192397 371074485 /nfs/dbraw/zinc/07/44/85/371074485.db2.gz TZGFOIJNSDCPQI-UONOGXRCSA-N 2 1 279.428 2.340 20 0 CEADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CC(n2cccn2)C1 ZINC000639241070 371135937 /nfs/dbraw/zinc/13/59/37/371135937.db2.gz BFVMUOBHMUEWDE-UHFFFAOYSA-N 2 1 262.401 2.051 20 0 CEADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CC(n2cccn2)C1 ZINC000639241070 371135943 /nfs/dbraw/zinc/13/59/43/371135943.db2.gz BFVMUOBHMUEWDE-UHFFFAOYSA-N 2 1 262.401 2.051 20 0 CEADMP Cc1noc(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247944648 371148100 /nfs/dbraw/zinc/14/81/00/371148100.db2.gz DKUKRTOOYCFPFC-DZGCQCFKSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1noc(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247944648 371148106 /nfs/dbraw/zinc/14/81/06/371148106.db2.gz DKUKRTOOYCFPFC-DZGCQCFKSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247944648 371148113 /nfs/dbraw/zinc/14/81/13/371148113.db2.gz DKUKRTOOYCFPFC-DZGCQCFKSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247944648 371148115 /nfs/dbraw/zinc/14/81/15/371148115.db2.gz DKUKRTOOYCFPFC-DZGCQCFKSA-N 2 1 263.385 2.208 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCC1 ZINC000247962017 371150634 /nfs/dbraw/zinc/15/06/34/371150634.db2.gz GJIHYYFXVWBOEQ-HIFRSBDPSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+]CCC[C@@H]2CCO2)[C@H](c2ccccc2)C1 ZINC000639285436 371186476 /nfs/dbraw/zinc/18/64/76/371186476.db2.gz FWFKGVAEMVGMRA-KURKYZTESA-N 2 1 288.435 2.491 20 0 CEADMP CO[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CC(C)C ZINC000639347095 371259951 /nfs/dbraw/zinc/25/99/51/371259951.db2.gz MQQCTLAWHGYWFC-LSDHHAIUSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000248825037 371249816 /nfs/dbraw/zinc/24/98/16/371249816.db2.gz COVXWXBUQVNLDR-QXSJWSMHSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H](C[C@@H](O)c1ccco1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248825439 371251790 /nfs/dbraw/zinc/25/17/90/371251790.db2.gz GAFARXKOMHCLLA-LUGNKYPNSA-N 2 1 278.396 2.306 20 0 CEADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000248843627 371254316 /nfs/dbraw/zinc/25/43/16/371254316.db2.gz ORXFJUJKDHFCLA-BURFUSLBSA-N 2 1 290.451 2.217 20 0 CEADMP C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@H](C)[NH3+] ZINC000249076598 371291861 /nfs/dbraw/zinc/29/18/61/371291861.db2.gz RCFWKUNTOUGLOQ-UHIISALHSA-N 2 1 297.830 2.042 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248918037 371270292 /nfs/dbraw/zinc/27/02/92/371270292.db2.gz WGWJLPJVGAUPTC-LKAFINOVSA-N 2 1 266.429 2.262 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+](C)CC[C@H]2CCCC[NH+]2C)O1 ZINC000248974122 371277811 /nfs/dbraw/zinc/27/78/11/371277811.db2.gz SZWPRSCKBXFFES-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1CC[C@H](C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)O1 ZINC000248974122 371277815 /nfs/dbraw/zinc/27/78/15/371277815.db2.gz SZWPRSCKBXFFES-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1CC[C@H](C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)O1 ZINC000248974122 371277818 /nfs/dbraw/zinc/27/78/18/371277818.db2.gz SZWPRSCKBXFFES-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1CC[C@H](C[NH+](C)CC[C@H]2CCCC[N@H+]2C)O1 ZINC000248974122 371277823 /nfs/dbraw/zinc/27/78/23/371277823.db2.gz SZWPRSCKBXFFES-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000639502748 371368181 /nfs/dbraw/zinc/36/81/81/371368181.db2.gz HVEAZQGSEUGAQM-NUJGCVRESA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000639502748 371368184 /nfs/dbraw/zinc/36/81/84/371368184.db2.gz HVEAZQGSEUGAQM-NUJGCVRESA-N 2 1 288.435 2.211 20 0 CEADMP CC1(C)CO[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000639494679 371360764 /nfs/dbraw/zinc/36/07/64/371360764.db2.gz KFLNUFXBJQNGJQ-LSDHHAIUSA-N 2 1 266.429 2.219 20 0 CEADMP COC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000249786075 371363205 /nfs/dbraw/zinc/36/32/05/371363205.db2.gz MEBWRXJSKGVPGU-GJZGRUSLSA-N 2 1 256.434 2.227 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000639543929 371395684 /nfs/dbraw/zinc/39/56/84/371395684.db2.gz RAKFIVYJRXCNAY-CQSZACIVSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000639543929 371395689 /nfs/dbraw/zinc/39/56/89/371395689.db2.gz RAKFIVYJRXCNAY-CQSZACIVSA-N 2 1 265.401 2.329 20 0 CEADMP CC1=CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000639571089 371414490 /nfs/dbraw/zinc/41/44/90/371414490.db2.gz VTYCEKQJWHBJNJ-SFHVURJKSA-N 2 1 286.419 2.275 20 0 CEADMP CC1=CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000639571089 371414494 /nfs/dbraw/zinc/41/44/94/371414494.db2.gz VTYCEKQJWHBJNJ-SFHVURJKSA-N 2 1 286.419 2.275 20 0 CEADMP CC1=CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639571089 371414495 /nfs/dbraw/zinc/41/44/95/371414495.db2.gz VTYCEKQJWHBJNJ-SFHVURJKSA-N 2 1 286.419 2.275 20 0 CEADMP CC1=CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639571089 371414499 /nfs/dbraw/zinc/41/44/99/371414499.db2.gz VTYCEKQJWHBJNJ-SFHVURJKSA-N 2 1 286.419 2.275 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252858990 371483525 /nfs/dbraw/zinc/48/35/25/371483525.db2.gz MFGKZHRKTGBBLO-BFJAYTPKSA-N 2 1 287.407 2.073 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252858990 371483530 /nfs/dbraw/zinc/48/35/30/371483530.db2.gz MFGKZHRKTGBBLO-BFJAYTPKSA-N 2 1 287.407 2.073 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252864995 371483575 /nfs/dbraw/zinc/48/35/75/371483575.db2.gz PNWKMPDHCGRGIS-HRCADAONSA-N 2 1 288.391 2.032 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000359375532 371452755 /nfs/dbraw/zinc/45/27/55/371452755.db2.gz GXXMINLUBSMUNT-BZUAXINKSA-N 2 1 291.439 2.346 20 0 CEADMP O[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CC1)C[NH+]1CCCC1 ZINC000359378072 371453622 /nfs/dbraw/zinc/45/36/22/371453622.db2.gz ZXJJKCBPVACGOW-DLBZAZTESA-N 2 1 292.398 2.323 20 0 CEADMP Clc1ccccc1CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252667524 371465080 /nfs/dbraw/zinc/46/50/80/371465080.db2.gz KWMHHSGVGJMVSN-UONOGXRCSA-N 2 1 280.799 2.293 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000252713381 371472463 /nfs/dbraw/zinc/47/24/63/371472463.db2.gz OZXIYKKEGPITCD-GOEBONIOSA-N 2 1 262.397 2.385 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC(=O)Nc1ccc(Cl)cc1 ZINC000252715475 371472528 /nfs/dbraw/zinc/47/25/28/371472528.db2.gz VRZROKKENPWZMN-SMDDNHRTSA-N 2 1 295.814 2.208 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252714691 371473014 /nfs/dbraw/zinc/47/30/14/371473014.db2.gz SQFCATANAPWUFZ-QLFBSQMISA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252714691 371473017 /nfs/dbraw/zinc/47/30/17/371473017.db2.gz SQFCATANAPWUFZ-QLFBSQMISA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000639768767 371556969 /nfs/dbraw/zinc/55/69/69/371556969.db2.gz UOPHIQBRHNCZST-SJORKVTESA-N 2 1 274.408 2.062 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000639768767 371556975 /nfs/dbraw/zinc/55/69/75/371556975.db2.gz UOPHIQBRHNCZST-SJORKVTESA-N 2 1 274.408 2.062 20 0 CEADMP C[NH+]1CCC2(CC[N@H+](Cc3nnc(C4CC4)s3)C2)CC1 ZINC000639757526 371547183 /nfs/dbraw/zinc/54/71/83/371547183.db2.gz LLVLUKTYEJGGGK-UHFFFAOYSA-N 2 1 292.452 2.333 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3nnc(C4CC4)s3)C2)CC1 ZINC000639757526 371547185 /nfs/dbraw/zinc/54/71/85/371547185.db2.gz LLVLUKTYEJGGGK-UHFFFAOYSA-N 2 1 292.452 2.333 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCCc3ccncc3)C2)CC1 ZINC000639758448 371549066 /nfs/dbraw/zinc/54/90/66/371549066.db2.gz TVGLPSQEEFGFDG-UHFFFAOYSA-N 2 1 273.424 2.432 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000639766725 371554404 /nfs/dbraw/zinc/55/44/04/371554404.db2.gz ONYVPRLZOCDXEB-PMQIGOLDSA-N 2 1 288.435 2.478 20 0 CEADMP CCc1cnc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)o1 ZINC000639683446 371492898 /nfs/dbraw/zinc/49/28/98/371492898.db2.gz ZIBYNBIZYUPDNS-UHFFFAOYSA-N 2 1 286.379 2.344 20 0 CEADMP CCc1cnc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)o1 ZINC000639683446 371492901 /nfs/dbraw/zinc/49/29/01/371492901.db2.gz ZIBYNBIZYUPDNS-UHFFFAOYSA-N 2 1 286.379 2.344 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+]CC2(C)CC2)C[C@H](C)O1 ZINC000683766950 541855875 /nfs/dbraw/zinc/85/58/75/541855875.db2.gz ADEIAQVQNIKKIJ-OKILXGFUSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778194 371561319 /nfs/dbraw/zinc/56/13/19/371561319.db2.gz QOXFXXCXGCYYBO-CQSZACIVSA-N 2 1 259.357 2.142 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778194 371561324 /nfs/dbraw/zinc/56/13/24/371561324.db2.gz QOXFXXCXGCYYBO-CQSZACIVSA-N 2 1 259.357 2.142 20 0 CEADMP C[C@H](N[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539123 371639907 /nfs/dbraw/zinc/63/99/07/371639907.db2.gz BPYNFRVXFBANBL-SZMVWBNQSA-N 2 1 287.451 2.239 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261615031 371679137 /nfs/dbraw/zinc/67/91/37/371679137.db2.gz FNLCXKBDDCWXPU-QGZVFWFLSA-N 2 1 290.407 2.150 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261615031 371679152 /nfs/dbraw/zinc/67/91/52/371679152.db2.gz FNLCXKBDDCWXPU-QGZVFWFLSA-N 2 1 290.407 2.150 20 0 CEADMP CCCCOC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983403 371711597 /nfs/dbraw/zinc/71/15/97/371711597.db2.gz GSRAZUXBXYRLIV-INIZCTEOSA-N 2 1 298.471 2.114 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](CCCCO)CC1 ZINC000639987904 371715857 /nfs/dbraw/zinc/71/58/57/371715857.db2.gz JQFOZQZOHWQSHZ-UHFFFAOYSA-N 2 1 254.418 2.099 20 0 CEADMP O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261747479 371718050 /nfs/dbraw/zinc/71/80/50/371718050.db2.gz BXEOYATUJUTVIK-OWCLPIDISA-N 2 1 266.429 2.002 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261783149 371730305 /nfs/dbraw/zinc/73/03/05/371730305.db2.gz PTDOLDQCKFQHOF-HOTGVXAUSA-N 2 1 274.408 2.366 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261783149 371730319 /nfs/dbraw/zinc/73/03/19/371730319.db2.gz PTDOLDQCKFQHOF-HOTGVXAUSA-N 2 1 274.408 2.366 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](CCc2ccncc2)CC1 ZINC000640016109 371736762 /nfs/dbraw/zinc/73/67/62/371736762.db2.gz UJFXFBJKEUXKIP-UHFFFAOYSA-N 2 1 261.413 2.430 20 0 CEADMP c1cnc2c(c1)cccc2C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261627197 371683890 /nfs/dbraw/zinc/68/38/90/371683890.db2.gz AVZGHGUSNJRQGN-KRWDZBQOSA-N 2 1 267.376 2.420 20 0 CEADMP FC(F)Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261641975 371688366 /nfs/dbraw/zinc/68/83/66/371688366.db2.gz CKPNGZTZRQRXKR-JSGCOSHPSA-N 2 1 282.334 2.472 20 0 CEADMP FC(F)Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261641975 371688375 /nfs/dbraw/zinc/68/83/75/371688375.db2.gz CKPNGZTZRQRXKR-JSGCOSHPSA-N 2 1 282.334 2.472 20 0 CEADMP Cc1cccc([C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000261669477 371697789 /nfs/dbraw/zinc/69/77/89/371697789.db2.gz FUCBQNDGOINFKS-RDJZCZTQSA-N 2 1 273.424 2.036 20 0 CEADMP COCCNc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000361183745 371702965 /nfs/dbraw/zinc/70/29/65/371702965.db2.gz CBRMTSWGYCKIOD-RHSMWYFYSA-N 2 1 291.439 2.175 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261840147 371747773 /nfs/dbraw/zinc/74/77/73/371747773.db2.gz QOODJBFHWJUHCE-QGZVFWFLSA-N 2 1 284.407 2.351 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261840147 371747785 /nfs/dbraw/zinc/74/77/85/371747785.db2.gz QOODJBFHWJUHCE-QGZVFWFLSA-N 2 1 284.407 2.351 20 0 CEADMP C[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000261870570 371754662 /nfs/dbraw/zinc/75/46/62/371754662.db2.gz ORRLBDITAPSRRF-CABCVRRESA-N 2 1 280.460 2.363 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261943929 371779854 /nfs/dbraw/zinc/77/98/54/371779854.db2.gz NCMNDEMAPJPVAZ-CABCVRRESA-N 2 1 284.407 2.350 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261943929 371779860 /nfs/dbraw/zinc/77/98/60/371779860.db2.gz NCMNDEMAPJPVAZ-CABCVRRESA-N 2 1 284.407 2.350 20 0 CEADMP COc1cc(C[N@H+](C)C[C@]2(C)CC[NH2+]C2)cc(OC)c1 ZINC000262038235 371808362 /nfs/dbraw/zinc/80/83/62/371808362.db2.gz OWAIJQSNNGNRLN-MRXNPFEDSA-N 2 1 278.396 2.135 20 0 CEADMP COc1cc(C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)cc(OC)c1 ZINC000262038235 371808373 /nfs/dbraw/zinc/80/83/73/371808373.db2.gz OWAIJQSNNGNRLN-MRXNPFEDSA-N 2 1 278.396 2.135 20 0 CEADMP C[C@@H]1COc2ccccc2C[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262041040 371808867 /nfs/dbraw/zinc/80/88/67/371808867.db2.gz PCQKCBYJNPNVAR-CJNGLKHVSA-N 2 1 260.381 2.269 20 0 CEADMP C[C@@H]1COc2ccccc2C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262041040 371808868 /nfs/dbraw/zinc/80/88/68/371808868.db2.gz PCQKCBYJNPNVAR-CJNGLKHVSA-N 2 1 260.381 2.269 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000353345827 220037528 /nfs/dbraw/zinc/03/75/28/220037528.db2.gz LLZPJGQCULGYBG-RDBSUJKOSA-N 2 1 282.428 2.323 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000353345827 220037530 /nfs/dbraw/zinc/03/75/30/220037530.db2.gz LLZPJGQCULGYBG-RDBSUJKOSA-N 2 1 282.428 2.323 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C2CCC2)CC1 ZINC000640106513 371818087 /nfs/dbraw/zinc/81/80/87/371818087.db2.gz IBCREZCRCLTKTE-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000640106513 371818091 /nfs/dbraw/zinc/81/80/91/371818091.db2.gz IBCREZCRCLTKTE-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000640106513 371818097 /nfs/dbraw/zinc/81/80/97/371818097.db2.gz IBCREZCRCLTKTE-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cnc(N)s1 ZINC000262079575 371819673 /nfs/dbraw/zinc/81/96/73/371819673.db2.gz SWRDBLWJVAEZFD-NSHDSACASA-N 2 1 268.430 2.032 20 0 CEADMP C(=C/c1ccncc1)\C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000344065346 217035390 /nfs/dbraw/zinc/03/53/90/217035390.db2.gz PAIAKVZSFOMOJM-YLSAJCSVSA-N 2 1 268.364 2.144 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](CC1CCC1)[C@@H](C)CO ZINC000361492471 371874522 /nfs/dbraw/zinc/87/45/22/371874522.db2.gz ILUDCWCEJKVIDA-AWEZNQCLSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000361492471 371874527 /nfs/dbraw/zinc/87/45/27/371874527.db2.gz ILUDCWCEJKVIDA-AWEZNQCLSA-N 2 1 279.428 2.455 20 0 CEADMP C[C@@H](CO)[N@@H+](CCC[NH+]1CCCCC1)CC1CCC1 ZINC000361496015 371877717 /nfs/dbraw/zinc/87/77/17/371877717.db2.gz IKTZODKKEROTCP-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP CCc1nc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000262201713 371837177 /nfs/dbraw/zinc/83/71/77/371837177.db2.gz KMAOQCWTVSKDQD-PWSUYJOCSA-N 2 1 253.415 2.313 20 0 CEADMP CCN(CC[NH3+])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262913261 371922080 /nfs/dbraw/zinc/92/20/80/371922080.db2.gz FZPIMBOOYBOTGE-ZBFHGGJFSA-N 2 1 261.413 2.103 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccoc1 ZINC000344130991 217066653 /nfs/dbraw/zinc/06/66/53/217066653.db2.gz MYWHCMGFILGYID-UHFFFAOYSA-N 2 1 268.320 2.459 20 0 CEADMP CCCCNC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530161 372020839 /nfs/dbraw/zinc/02/08/39/372020839.db2.gz AJAOYWNMQNPTQY-MRXNPFEDSA-N 2 1 297.487 2.489 20 0 CEADMP CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530653 372022386 /nfs/dbraw/zinc/02/23/86/372022386.db2.gz FWMXHEWYVRVUKH-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)CCc1ccccc1O ZINC000344153716 217077235 /nfs/dbraw/zinc/07/72/35/217077235.db2.gz REIVOCRKKOOWIX-UHFFFAOYSA-N 2 1 259.353 2.072 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)CCc1ccccc1O ZINC000344153716 217077237 /nfs/dbraw/zinc/07/72/37/217077237.db2.gz REIVOCRKKOOWIX-UHFFFAOYSA-N 2 1 259.353 2.072 20 0 CEADMP COc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)nn1 ZINC000640534247 372024579 /nfs/dbraw/zinc/02/45/79/372024579.db2.gz OFIQSMQUGWJZOI-UHFFFAOYSA-N 2 1 292.427 2.183 20 0 CEADMP Cc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1C ZINC000361799604 372078159 /nfs/dbraw/zinc/07/81/59/372078159.db2.gz QIWNRSQKBLQSOQ-UHFFFAOYSA-N 2 1 276.424 2.240 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(O)cc2)[C@@H](C)C1 ZINC000268808255 372232566 /nfs/dbraw/zinc/23/25/66/372232566.db2.gz MZBJHTFYNUSUCD-BBRMVZONSA-N 2 1 262.397 2.255 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCn2cnc3ccccc32)[C@H](C)C1 ZINC000268811872 372236529 /nfs/dbraw/zinc/23/65/29/372236529.db2.gz JBENJJNDCNXJIA-HUUCEWRRSA-N 2 1 286.423 2.356 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccsc2)[C@H](C)C1 ZINC000268943570 372298155 /nfs/dbraw/zinc/29/81/55/372298155.db2.gz AVWZRJFEDNNLNL-SNPRPXQTSA-N 2 1 282.453 2.276 20 0 CEADMP C(C[NH+]1CCCC1)C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000362176676 372259161 /nfs/dbraw/zinc/25/91/61/372259161.db2.gz GEVOPQXSRKSEIN-HUUCEWRRSA-N 2 1 252.402 2.116 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3cncn3)c2)[C@@H](C)C1 ZINC000268878350 372269904 /nfs/dbraw/zinc/26/99/04/372269904.db2.gz HKQCGAVSQXWGIO-WMLDXEAASA-N 2 1 299.422 2.087 20 0 CEADMP CCC[C@@H]([NH3+])c1cn(Cc2c(C)cc(C)[nH+]c2C)nn1 ZINC000641187702 372378980 /nfs/dbraw/zinc/37/89/80/372378980.db2.gz QYRUJXZCQFSYPD-CQSZACIVSA-N 2 1 273.384 2.447 20 0 CEADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CC(C)C ZINC000362763032 372516254 /nfs/dbraw/zinc/51/62/54/372516254.db2.gz OSPRXXOAFOBXFY-JYJNAYRXSA-N 2 1 297.487 2.057 20 0 CEADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC[C@H]1CCC[NH+]1C ZINC000363459320 372639097 /nfs/dbraw/zinc/63/90/97/372639097.db2.gz KCYZQNKBQREGIQ-BRWVUGGUSA-N 2 1 279.472 2.419 20 0 CEADMP CC[C@@H]1C[NH+]2CCCC[C@@H]2CN1CC[C@H]1CCC[N@@H+]1C ZINC000363459320 372639103 /nfs/dbraw/zinc/63/91/03/372639103.db2.gz KCYZQNKBQREGIQ-BRWVUGGUSA-N 2 1 279.472 2.419 20 0 CEADMP CC[C@@H]1C[NH+]2CCCC[C@@H]2CN1CC[C@H]1CCC[N@H+]1C ZINC000363459320 372639108 /nfs/dbraw/zinc/63/91/08/372639108.db2.gz KCYZQNKBQREGIQ-BRWVUGGUSA-N 2 1 279.472 2.419 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccncc2N)C1 ZINC000641707202 372641801 /nfs/dbraw/zinc/64/18/01/372641801.db2.gz CAEHSZJUUODGEE-OKILXGFUSA-N 2 1 276.428 2.121 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccncc2N)C1 ZINC000641707202 372641806 /nfs/dbraw/zinc/64/18/06/372641806.db2.gz CAEHSZJUUODGEE-OKILXGFUSA-N 2 1 276.428 2.121 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(C)o1 ZINC000353400156 220063823 /nfs/dbraw/zinc/06/38/23/220063823.db2.gz DNIRGSGJGPYBHJ-NUEKZKHPSA-N 2 1 277.412 2.296 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc(C)s2)[C@@H](C)C1 ZINC000344528173 217222889 /nfs/dbraw/zinc/22/28/89/217222889.db2.gz BJPWTECZRSAGQY-GXFFZTMASA-N 2 1 253.415 2.271 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnc(C)s2)[C@@H](C)C1 ZINC000344528173 217222891 /nfs/dbraw/zinc/22/28/91/217222891.db2.gz BJPWTECZRSAGQY-GXFFZTMASA-N 2 1 253.415 2.271 20 0 CEADMP CCc1cccc(C)c1NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641804790 372749546 /nfs/dbraw/zinc/74/95/46/372749546.db2.gz JTTSXZAAHMWCOL-KGLIPLIRSA-N 2 1 289.423 2.211 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)NCCCC1CCCCC1 ZINC000641804768 372750694 /nfs/dbraw/zinc/75/06/94/372750694.db2.gz LIJVWTYCEVTEHD-HUUCEWRRSA-N 2 1 295.471 2.179 20 0 CEADMP Cc1nc(-c2ccccc2)oc1C[N@H+](C)CCC[NH3+] ZINC000641797113 372735721 /nfs/dbraw/zinc/73/57/21/372735721.db2.gz UWSCNGQQRFHUPF-UHFFFAOYSA-N 2 1 259.353 2.431 20 0 CEADMP Cc1nc(-c2ccccc2)oc1C[N@@H+](C)CCC[NH3+] ZINC000641797113 372735727 /nfs/dbraw/zinc/73/57/27/372735727.db2.gz UWSCNGQQRFHUPF-UHFFFAOYSA-N 2 1 259.353 2.431 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)CC[C@H]1[NH3+] ZINC000641797183 372735947 /nfs/dbraw/zinc/73/59/47/372735947.db2.gz XCBWZMWERAPREL-GXSJLCMTSA-N 2 1 284.306 2.177 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)CC[C@H]1[NH3+] ZINC000641797183 372735957 /nfs/dbraw/zinc/73/59/57/372735957.db2.gz XCBWZMWERAPREL-GXSJLCMTSA-N 2 1 284.306 2.177 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000641797395 372737438 /nfs/dbraw/zinc/73/74/38/372737438.db2.gz BTSDAYHBAPQUHK-ZYHUDNBSSA-N 2 1 251.374 2.105 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000641797395 372737446 /nfs/dbraw/zinc/73/74/46/372737446.db2.gz BTSDAYHBAPQUHK-ZYHUDNBSSA-N 2 1 251.374 2.105 20 0 CEADMP OCCCCC[N@H+]1CCC[C@H]1CN1CCCCCC1 ZINC000364623044 372775835 /nfs/dbraw/zinc/77/58/35/372775835.db2.gz LQLPZQXDZRQUJL-INIZCTEOSA-N 2 1 268.445 2.489 20 0 CEADMP Cc1csc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000333181632 205096798 /nfs/dbraw/zinc/09/67/98/205096798.db2.gz SBRDLGAXOBHAJA-HIFRSBDPSA-N 2 1 295.452 2.170 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccncc2)CC[N@H+]1C ZINC000344610768 217247017 /nfs/dbraw/zinc/24/70/17/217247017.db2.gz BBMGITZXISXZQC-CZUORRHYSA-N 2 1 299.422 2.054 20 0 CEADMP COC(=O)c1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000270572417 372849729 /nfs/dbraw/zinc/84/97/29/372849729.db2.gz HABHYDWDCSSBQZ-UHFFFAOYSA-N 2 1 290.407 2.391 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000270572417 372849738 /nfs/dbraw/zinc/84/97/38/372849738.db2.gz HABHYDWDCSSBQZ-UHFFFAOYSA-N 2 1 290.407 2.391 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000353473144 220102399 /nfs/dbraw/zinc/10/23/99/220102399.db2.gz UMCPSEPRSXVVQZ-PMPSAXMXSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H](C(F)(F)F)O1 ZINC000643058124 372938781 /nfs/dbraw/zinc/93/87/81/372938781.db2.gz DGILGALSUXXHFZ-WOPDTQHZSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H](C(F)(F)F)O1 ZINC000643058124 372938787 /nfs/dbraw/zinc/93/87/87/372938787.db2.gz DGILGALSUXXHFZ-WOPDTQHZSA-N 2 1 280.334 2.028 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000353499719 220121380 /nfs/dbraw/zinc/12/13/80/220121380.db2.gz HCCAYERQVRHDCC-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000353499719 220121381 /nfs/dbraw/zinc/12/13/81/220121381.db2.gz HCCAYERQVRHDCC-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000353499719 220121383 /nfs/dbraw/zinc/12/13/83/220121383.db2.gz HCCAYERQVRHDCC-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353517344 220133071 /nfs/dbraw/zinc/13/30/71/220133071.db2.gz KIXNJNVAOWUITL-BDXSIMOUSA-N 2 1 288.435 2.225 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn(C)c1 ZINC000366258171 373018048 /nfs/dbraw/zinc/01/80/48/373018048.db2.gz HPHFSSVBSGPPCI-KKUMJFAQSA-N 2 1 262.401 2.088 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cnn(C)c1 ZINC000366258171 373018051 /nfs/dbraw/zinc/01/80/51/373018051.db2.gz HPHFSSVBSGPPCI-KKUMJFAQSA-N 2 1 262.401 2.088 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](Cc2nc3c(s2)CCC3)C[C@H]1C[NH3+] ZINC000643427638 373115060 /nfs/dbraw/zinc/11/50/60/373115060.db2.gz HAWLFXAXEZFSDQ-GRYCIOLGSA-N 2 1 279.453 2.437 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc3c(s2)CCC3)C[C@H]1C[NH3+] ZINC000643427638 373115067 /nfs/dbraw/zinc/11/50/67/373115067.db2.gz HAWLFXAXEZFSDQ-GRYCIOLGSA-N 2 1 279.453 2.437 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000643483926 373150770 /nfs/dbraw/zinc/15/07/70/373150770.db2.gz RAGPYPAAYIMGLF-QMTHXVAHSA-N 2 1 254.324 2.095 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000643498122 373157279 /nfs/dbraw/zinc/15/72/79/373157279.db2.gz DRVOSQRPBPKKHV-HZPDHXFCSA-N 2 1 277.412 2.109 20 0 CEADMP C([NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000643502655 373161739 /nfs/dbraw/zinc/16/17/39/373161739.db2.gz MWSIUQQIZNBIOA-LVQVYYBASA-N 2 1 266.429 2.313 20 0 CEADMP COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)C2 ZINC000643451929 373122112 /nfs/dbraw/zinc/12/21/12/373122112.db2.gz APGVBWNPYSFITK-AAEUAGOBSA-N 2 1 299.374 2.157 20 0 CEADMP CC[C@H]([NH2+][C@H]1COc2c(cccc2OC)C1)[C@@H]1CCC[NH2+]1 ZINC000643452065 373123884 /nfs/dbraw/zinc/12/38/84/373123884.db2.gz VHQQDHCBMYPDHC-ILXRZTDVSA-N 2 1 290.407 2.119 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])c(C)c1OC ZINC000643526768 373183305 /nfs/dbraw/zinc/18/33/05/373183305.db2.gz GBGBVLGWIMHJLT-GXSJLCMTSA-N 2 1 252.358 2.010 20 0 CEADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000643527784 373185046 /nfs/dbraw/zinc/18/50/46/373185046.db2.gz SOUCQWUFTSZPCO-PRHODGIISA-N 2 1 269.186 2.373 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000271295069 373187956 /nfs/dbraw/zinc/18/79/56/373187956.db2.gz RDICLSBRXJLXTC-SFHVURJKSA-N 2 1 285.435 2.041 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000271295069 373187963 /nfs/dbraw/zinc/18/79/63/373187963.db2.gz RDICLSBRXJLXTC-SFHVURJKSA-N 2 1 285.435 2.041 20 0 CEADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000643542241 373200741 /nfs/dbraw/zinc/20/07/41/373200741.db2.gz GFSACNFSIOCGKK-IRXDYDNUSA-N 2 1 273.424 2.021 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545998 373203009 /nfs/dbraw/zinc/20/30/09/373203009.db2.gz GXDLCVSNRIHVAD-OCCSQVGLSA-N 2 1 274.412 2.062 20 0 CEADMP CC(C)CN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000643548047 373205796 /nfs/dbraw/zinc/20/57/96/373205796.db2.gz MHRIJUHJZZWFLQ-HLLBOEOZSA-N 2 1 279.472 2.085 20 0 CEADMP CC(C)CCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368928223 373292907 /nfs/dbraw/zinc/29/29/07/373292907.db2.gz CPIJLHIYBUBESI-IRXDYDNUSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000643911135 373301613 /nfs/dbraw/zinc/30/16/13/373301613.db2.gz ABEFMKGWYKJISY-UAGQMJEPSA-N 2 1 274.408 2.276 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000643911135 373301617 /nfs/dbraw/zinc/30/16/17/373301617.db2.gz ABEFMKGWYKJISY-UAGQMJEPSA-N 2 1 274.408 2.276 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000272399242 373464472 /nfs/dbraw/zinc/46/44/72/373464472.db2.gz JRYIDKNAHYDSER-ZFWWWQNUSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000272399242 373464481 /nfs/dbraw/zinc/46/44/81/373464481.db2.gz JRYIDKNAHYDSER-ZFWWWQNUSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000272399242 373464490 /nfs/dbraw/zinc/46/44/90/373464490.db2.gz JRYIDKNAHYDSER-ZFWWWQNUSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000272399242 373464496 /nfs/dbraw/zinc/46/44/96/373464496.db2.gz JRYIDKNAHYDSER-ZFWWWQNUSA-N 2 1 290.407 2.317 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC1(F)CCC1 ZINC000644647196 373581169 /nfs/dbraw/zinc/58/11/69/373581169.db2.gz GVEVTHWQSMQJCZ-MRXNPFEDSA-N 2 1 294.414 2.351 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC1(F)CCC1 ZINC000644647196 373581172 /nfs/dbraw/zinc/58/11/72/373581172.db2.gz GVEVTHWQSMQJCZ-MRXNPFEDSA-N 2 1 294.414 2.351 20 0 CEADMP CC(C)CC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000644619052 373563174 /nfs/dbraw/zinc/56/31/74/373563174.db2.gz NTPKLGQKTSDEBN-ZFWWWQNUSA-N 2 1 254.418 2.024 20 0 CEADMP CC(C)=CCC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644631161 373571576 /nfs/dbraw/zinc/57/15/76/373571576.db2.gz HVWXEPIZUPSDGS-KRWDZBQOSA-N 2 1 276.424 2.425 20 0 CEADMP CC(C)=CCC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644631161 373571581 /nfs/dbraw/zinc/57/15/81/373571581.db2.gz HVWXEPIZUPSDGS-KRWDZBQOSA-N 2 1 276.424 2.425 20 0 CEADMP C[NH+]1CCC([NH2+]CC2(c3ccccn3)CCC2)CC1 ZINC000370736452 373731275 /nfs/dbraw/zinc/73/12/75/373731275.db2.gz FUIFHKRXTPHWCM-UHFFFAOYSA-N 2 1 259.397 2.187 20 0 CEADMP CCCC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371095656 373788272 /nfs/dbraw/zinc/78/82/72/373788272.db2.gz WZHZOCAUHRBUKX-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)CC1 ZINC000371337134 373845448 /nfs/dbraw/zinc/84/54/48/373845448.db2.gz SJXDEWPKZHZUSS-ZWKOTPCHSA-N 2 1 291.483 2.443 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@@H](C)CC[NH+](C)C)c2c1C ZINC000645139871 373873049 /nfs/dbraw/zinc/87/30/49/373873049.db2.gz CPEMOQFTFYWPHM-VIFPVBQESA-N 2 1 261.373 2.327 20 0 CEADMP Cc1cccc(C(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000289503294 197379398 /nfs/dbraw/zinc/37/93/98/197379398.db2.gz KVZUIJFHQRRREC-MRXNPFEDSA-N 2 1 276.424 2.275 20 0 CEADMP Cc1cccc(C(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000289503294 197379400 /nfs/dbraw/zinc/37/94/00/197379400.db2.gz KVZUIJFHQRRREC-MRXNPFEDSA-N 2 1 276.424 2.275 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccco2)[C@H]2CCC[C@@H]21 ZINC000353683313 220252246 /nfs/dbraw/zinc/25/22/46/220252246.db2.gz FCHMYJYAGOAXPQ-BARDWOONSA-N 2 1 278.396 2.166 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccco2)[C@H]2CCC[C@@H]21 ZINC000353683313 220252249 /nfs/dbraw/zinc/25/22/49/220252249.db2.gz FCHMYJYAGOAXPQ-BARDWOONSA-N 2 1 278.396 2.166 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000645693055 374140641 /nfs/dbraw/zinc/14/06/41/374140641.db2.gz BUUWVWPBYPYZMY-ZFWWWQNUSA-N 2 1 289.423 2.066 20 0 CEADMP COC(=O)c1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)oc1C ZINC000275120719 374160358 /nfs/dbraw/zinc/16/03/58/374160358.db2.gz VGLOCVPIBQKBIU-IAQYHMDHSA-N 2 1 294.395 2.147 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@@H]2CCOC2)[C@H](C)C1 ZINC000645830310 374212081 /nfs/dbraw/zinc/21/20/81/374212081.db2.gz LZBUVRFCCGQXRX-OAGGEKHMSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC[C@@H]2CCOC2)[C@H](C)C1 ZINC000645830310 374212086 /nfs/dbraw/zinc/21/20/86/374212086.db2.gz LZBUVRFCCGQXRX-OAGGEKHMSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC[C@@H]2CCOC2)[C@H](C)C1 ZINC000645830310 374212087 /nfs/dbraw/zinc/21/20/87/374212087.db2.gz LZBUVRFCCGQXRX-OAGGEKHMSA-N 2 1 268.445 2.465 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC1=CCCC1 ZINC000645837978 374215416 /nfs/dbraw/zinc/21/54/16/374215416.db2.gz XGYZNHBPJMOYCM-BZUAXINKSA-N 2 1 264.413 2.280 20 0 CEADMP C[C@H]1CCC[N@H+]1C1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000372749925 374190859 /nfs/dbraw/zinc/19/08/59/374190859.db2.gz MTJUQJUPRXJYPB-AAEUAGOBSA-N 2 1 294.361 2.248 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC[C@@H]3CCOC3)C2)C1 ZINC000645922864 374288023 /nfs/dbraw/zinc/28/80/23/374288023.db2.gz ZJDFFZGQXKXUGD-HZPDHXFCSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC[C@@H]3CCOC3)C2)C1 ZINC000645922864 374288028 /nfs/dbraw/zinc/28/80/28/374288028.db2.gz ZJDFFZGQXKXUGD-HZPDHXFCSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC[C@@H]3CCOC3)C2)C1 ZINC000645922864 374288032 /nfs/dbraw/zinc/28/80/32/374288032.db2.gz ZJDFFZGQXKXUGD-HZPDHXFCSA-N 2 1 266.429 2.221 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000276853225 374324652 /nfs/dbraw/zinc/32/46/52/374324652.db2.gz FDLHDVFCYWIPTC-CVEARBPZSA-N 2 1 271.364 2.311 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)[nH]1 ZINC000276880340 374334454 /nfs/dbraw/zinc/33/44/54/374334454.db2.gz ZZFYIEMIARMRDV-UHFFFAOYSA-N 2 1 293.411 2.013 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C2 ZINC000276965956 374363005 /nfs/dbraw/zinc/36/30/05/374363005.db2.gz BNHZTRZAZCIFGY-INIZCTEOSA-N 2 1 286.419 2.404 20 0 CEADMP COc1cccc2c1CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C2 ZINC000276965961 374363287 /nfs/dbraw/zinc/36/32/87/374363287.db2.gz BNHZTRZAZCIFGY-MRXNPFEDSA-N 2 1 286.419 2.404 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000373647836 374398867 /nfs/dbraw/zinc/39/88/67/374398867.db2.gz NXXBMOOUOZQATO-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C12CCC2 ZINC000373554914 374378155 /nfs/dbraw/zinc/37/81/55/374378155.db2.gz NLFQSWBSYXTNTA-LUYZLQTOSA-N 2 1 289.423 2.239 20 0 CEADMP COc1ccc(OCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277152476 374418559 /nfs/dbraw/zinc/41/85/59/374418559.db2.gz JROWPWCVBMYIQC-HNNXBMFYSA-N 2 1 292.423 2.490 20 0 CEADMP COc1ccc(OCC[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277152476 374418565 /nfs/dbraw/zinc/41/85/65/374418565.db2.gz JROWPWCVBMYIQC-HNNXBMFYSA-N 2 1 292.423 2.490 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](CCOc2ccccc2)CC1 ZINC000277164224 374423723 /nfs/dbraw/zinc/42/37/23/374423723.db2.gz KINALDNSGCYAJM-HNNXBMFYSA-N 2 1 262.397 2.482 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2ccccc2)CC1 ZINC000277164224 374423729 /nfs/dbraw/zinc/42/37/29/374423729.db2.gz KINALDNSGCYAJM-HNNXBMFYSA-N 2 1 262.397 2.482 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)no1 ZINC000374172720 374506842 /nfs/dbraw/zinc/50/68/42/374506842.db2.gz GIRQRTBSAZCRIO-UHFFFAOYSA-N 2 1 263.385 2.291 20 0 CEADMP CO[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000374578596 374604740 /nfs/dbraw/zinc/60/47/40/374604740.db2.gz WBIGFIKZJHWMEJ-KGLIPLIRSA-N 2 1 277.412 2.372 20 0 CEADMP COc1cccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000277979022 374699207 /nfs/dbraw/zinc/69/92/07/374699207.db2.gz TYCFSTUHFHWDPO-OAHLLOKOSA-N 2 1 292.423 2.286 20 0 CEADMP Cc1cc(C)n(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000375835882 374681490 /nfs/dbraw/zinc/68/14/90/374681490.db2.gz AAKXGRXLZKOGHD-BRWVUGGUSA-N 2 1 290.455 2.352 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000375892366 374689550 /nfs/dbraw/zinc/68/95/50/374689550.db2.gz YMJLZHZHOYKCDG-ARFHVFGLSA-N 3 1 279.472 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)[C@@H]2CCC[C@H]21 ZINC000375892366 374689554 /nfs/dbraw/zinc/68/95/54/374689554.db2.gz YMJLZHZHOYKCDG-ARFHVFGLSA-N 2 1 279.472 2.181 20 0 CEADMP C([C@H]1CCCO1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000334247148 206251126 /nfs/dbraw/zinc/25/11/26/206251126.db2.gz VHPQWOQRAMWPBC-OAHLLOKOSA-N 2 1 252.402 2.116 20 0 CEADMP O[C@]1(C(F)(F)F)CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000376663567 374714118 /nfs/dbraw/zinc/71/41/18/374714118.db2.gz KZZQLFZYEIUSND-CYBMUJFWSA-N 2 1 294.361 2.252 20 0 CEADMP O[C@]1(C(F)(F)F)CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000376663567 374714123 /nfs/dbraw/zinc/71/41/23/374714123.db2.gz KZZQLFZYEIUSND-CYBMUJFWSA-N 2 1 294.361 2.252 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCO ZINC000278390285 374802272 /nfs/dbraw/zinc/80/22/72/374802272.db2.gz AEYQHMSUBPJOKV-NVXWUHKLSA-N 2 1 276.424 2.259 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCO ZINC000278390285 374802277 /nfs/dbraw/zinc/80/22/77/374802277.db2.gz AEYQHMSUBPJOKV-NVXWUHKLSA-N 2 1 276.424 2.259 20 0 CEADMP C[N@@H+](Cc1ccsc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377620503 374902287 /nfs/dbraw/zinc/90/22/87/374902287.db2.gz DTNVHDKYZOCYBX-MRXNPFEDSA-N 2 1 293.480 2.348 20 0 CEADMP Cn1ccnc1CNC[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000377757633 374944139 /nfs/dbraw/zinc/94/41/39/374944139.db2.gz ADJXGLXNDLBNQN-WBVHZDCISA-N 2 1 284.407 2.203 20 0 CEADMP Cn1ccnc1CNC[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000377757630 374944624 /nfs/dbraw/zinc/94/46/24/374944624.db2.gz ADJXGLXNDLBNQN-NVXWUHKLSA-N 2 1 284.407 2.203 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C12CCC2 ZINC000378456514 375104999 /nfs/dbraw/zinc/10/49/99/375104999.db2.gz OOKYRMIQDMWSFU-GJZGRUSLSA-N 2 1 264.413 2.186 20 0 CEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@H]3CCCC[C@@H]3O)C2)c1 ZINC000378321695 375068926 /nfs/dbraw/zinc/06/89/26/375068926.db2.gz BHXCFATUZGKADV-JYJNAYRXSA-N 2 1 289.423 2.427 20 0 CEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@H]3CCCC[C@@H]3O)C2)c1 ZINC000378321695 375068930 /nfs/dbraw/zinc/06/89/30/375068930.db2.gz BHXCFATUZGKADV-JYJNAYRXSA-N 2 1 289.423 2.427 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000387529760 375277368 /nfs/dbraw/zinc/27/73/68/375277368.db2.gz MAHURCSGCBNVFU-AWEZNQCLSA-N 2 1 283.460 2.001 20 0 CEADMP CCc1nc(N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc(C)[nH+]1 ZINC000397253403 375339317 /nfs/dbraw/zinc/33/93/17/375339317.db2.gz FKYDVRDRHPZMHJ-WXHSDQCUSA-N 2 1 262.401 2.157 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000282488056 375496690 /nfs/dbraw/zinc/49/66/90/375496690.db2.gz QVHQWZOCTMLLQZ-HYVNUMGLSA-N 2 1 276.424 2.409 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000412415941 375552657 /nfs/dbraw/zinc/55/26/57/375552657.db2.gz IJIZUNIHFZIBEI-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCC[C@@H](CCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000412415941 375552664 /nfs/dbraw/zinc/55/26/64/375552664.db2.gz IJIZUNIHFZIBEI-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCC[C@@H](CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000412415941 375552668 /nfs/dbraw/zinc/55/26/68/375552668.db2.gz IJIZUNIHFZIBEI-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP COC1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000414184530 375800796 /nfs/dbraw/zinc/80/07/96/375800796.db2.gz ORRBZSOJYTVTLA-APSKQVOWSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)OCC1CC1 ZINC000414278003 375817839 /nfs/dbraw/zinc/81/78/39/375817839.db2.gz XRJRPJRSIYRRQB-GXTWGEPZSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@@H+](CC[C@@H](O)c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000286276941 375895747 /nfs/dbraw/zinc/89/57/47/375895747.db2.gz FIUCUVZSDHTHBY-DOTOQJQBSA-N 2 1 276.424 2.384 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@]1(CO)CC(C)C ZINC000414759537 375953188 /nfs/dbraw/zinc/95/31/88/375953188.db2.gz OSVZYOJBIMSUGS-HUUCEWRRSA-N 2 1 256.434 2.233 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCO1 ZINC000414762779 375955248 /nfs/dbraw/zinc/95/52/48/375955248.db2.gz BBVZLIOIMKZVPS-LVQVYYBASA-N 2 1 266.429 2.123 20 0 CEADMP C[N@H+](Cc1cccc(OC(F)F)c1)C1CC([NH3+])C1 ZINC000414781210 375966091 /nfs/dbraw/zinc/96/60/91/375966091.db2.gz VOGMFGYYEZNCQE-UHFFFAOYSA-N 2 1 256.296 2.210 20 0 CEADMP C[N@@H+](Cc1cccc(OC(F)F)c1)C1CC([NH3+])C1 ZINC000414781210 375966096 /nfs/dbraw/zinc/96/60/96/375966096.db2.gz VOGMFGYYEZNCQE-UHFFFAOYSA-N 2 1 256.296 2.210 20 0 CEADMP CCC[C@@H](C)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414783709 375966914 /nfs/dbraw/zinc/96/69/14/375966914.db2.gz QLCXCPZAZJHBRW-KGLIPLIRSA-N 2 1 254.418 2.110 20 0 CEADMP COc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc(OC)c1O ZINC000414789009 375970963 /nfs/dbraw/zinc/97/09/63/375970963.db2.gz OEFLPFFHCCKMAM-CYBMUJFWSA-N 2 1 294.395 2.113 20 0 CEADMP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc(OC)c1O ZINC000414789009 375970970 /nfs/dbraw/zinc/97/09/70/375970970.db2.gz OEFLPFFHCCKMAM-CYBMUJFWSA-N 2 1 294.395 2.113 20 0 CEADMP c1cc2c(c(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c1)OCO2 ZINC000414788898 375971890 /nfs/dbraw/zinc/97/18/90/375971890.db2.gz XLZQCMKBRWVYEM-KGLIPLIRSA-N 2 1 288.391 2.237 20 0 CEADMP COc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1OC(F)F ZINC000414793397 375975178 /nfs/dbraw/zinc/97/51/78/375975178.db2.gz KKYHDSNLZAPSCY-NSHDSACASA-N 2 1 288.338 2.370 20 0 CEADMP COc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1OC(F)F ZINC000414793892 375977582 /nfs/dbraw/zinc/97/75/82/375977582.db2.gz USAALYKQQKNXHD-UHFFFAOYSA-N 2 1 286.322 2.138 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000414689641 375919466 /nfs/dbraw/zinc/91/94/66/375919466.db2.gz LJTUTHXOGSWOPM-HNNXBMFYSA-N 3 1 255.450 2.024 20 0 CEADMP COC1CCC([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414698375 375927251 /nfs/dbraw/zinc/92/72/51/375927251.db2.gz QRDHTWMZXMJNCO-LMRVLLHPSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)CC[NH2+]1 ZINC000414702026 375927802 /nfs/dbraw/zinc/92/78/02/375927802.db2.gz WVYOSLGAMREYDR-HZSPNIEDSA-N 2 1 262.401 2.325 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC[NH2+]C(C)(C)C)C[C@H]1C ZINC000414743745 375947010 /nfs/dbraw/zinc/94/70/10/375947010.db2.gz OQNNZCNJIWVDSC-KGLIPLIRSA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000414808181 375992854 /nfs/dbraw/zinc/99/28/54/375992854.db2.gz DPLKJJUCZQRYMB-AWEZNQCLSA-N 2 1 264.369 2.080 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1cc(Br)cs1)C1CC1 ZINC000414809455 375995940 /nfs/dbraw/zinc/99/59/40/375995940.db2.gz UFBUSEYSNRLCDS-JTQLQIEISA-N 2 1 275.215 2.338 20 0 CEADMP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414812513 375998953 /nfs/dbraw/zinc/99/89/53/375998953.db2.gz PKNJJRRAAYSXQB-XHDPSFHLSA-N 2 1 250.361 2.474 20 0 CEADMP [NH3+]C[C@H]([NH2+]CCSCc1ccccc1)C1CC1 ZINC000414814823 376002264 /nfs/dbraw/zinc/00/22/64/376002264.db2.gz SIZUMLDBCRRHLM-AWEZNQCLSA-N 2 1 250.411 2.247 20 0 CEADMP COc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1SC ZINC000414804229 375989320 /nfs/dbraw/zinc/98/93/20/375989320.db2.gz NQHYHEQFQSFUAW-UHFFFAOYSA-N 2 1 254.399 2.244 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000305769704 376482734 /nfs/dbraw/zinc/48/27/34/376482734.db2.gz NDXWCUFNJGTWTM-WCVJEAGWSA-N 2 1 268.445 2.248 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@]2(C)OCCc3sccc32)CC1 ZINC000289732183 376470355 /nfs/dbraw/zinc/47/03/55/376470355.db2.gz GUSRVGUNGKLEPO-HNNXBMFYSA-N 2 1 280.437 2.220 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1Cc2ccccc2[C@H]1O ZINC000305774500 376485826 /nfs/dbraw/zinc/48/58/26/376485826.db2.gz JFWXYOFMGKFUQT-DLBZAZTESA-N 2 1 285.391 2.172 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1Cc2ccccc2[C@H]1O ZINC000305774500 376485837 /nfs/dbraw/zinc/48/58/37/376485837.db2.gz JFWXYOFMGKFUQT-DLBZAZTESA-N 2 1 285.391 2.172 20 0 CEADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000305781185 376487722 /nfs/dbraw/zinc/48/77/22/376487722.db2.gz OSGQMQZHAOYVDN-GDBMZVCRSA-N 2 1 278.440 2.255 20 0 CEADMP O[C@H](C[NH2+][C@H]1CCCc2ccc(F)cc21)C[NH+]1CCCC1 ZINC000305781556 376488576 /nfs/dbraw/zinc/48/85/76/376488576.db2.gz PBFALMVYLIKYAK-WBVHZDCISA-N 2 1 292.398 2.249 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000290020213 376605435 /nfs/dbraw/zinc/60/54/35/376605435.db2.gz PHMZACZUUMOKRL-HFTRVMKXSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000290020213 376605439 /nfs/dbraw/zinc/60/54/39/376605439.db2.gz PHMZACZUUMOKRL-HFTRVMKXSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000290020213 376605441 /nfs/dbraw/zinc/60/54/41/376605441.db2.gz PHMZACZUUMOKRL-HFTRVMKXSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290020213 376605449 /nfs/dbraw/zinc/60/54/49/376605449.db2.gz PHMZACZUUMOKRL-HFTRVMKXSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290020213 376605454 /nfs/dbraw/zinc/60/54/54/376605454.db2.gz PHMZACZUUMOKRL-HFTRVMKXSA-N 2 1 288.435 2.320 20 0 CEADMP CCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000307970554 376574992 /nfs/dbraw/zinc/57/49/92/376574992.db2.gz GRVXPEUMBSOPOK-IMJJTQAJSA-N 2 1 276.428 2.079 20 0 CEADMP [NH3+]C1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000334318833 206360665 /nfs/dbraw/zinc/36/06/65/206360665.db2.gz WZQBRTGHNURKNL-UHFFFAOYSA-N 2 1 274.343 2.139 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000310018474 376613478 /nfs/dbraw/zinc/61/34/78/376613478.db2.gz PTUHHHJRZFOOEY-INIZCTEOSA-N 2 1 262.397 2.264 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCCC1CCOCC1 ZINC000310617315 376628354 /nfs/dbraw/zinc/62/83/54/376628354.db2.gz IPBUWNRDEXWJHG-HNNXBMFYSA-N 2 1 254.418 2.267 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCCC1CCOCC1 ZINC000310617315 376628357 /nfs/dbraw/zinc/62/83/57/376628357.db2.gz IPBUWNRDEXWJHG-HNNXBMFYSA-N 2 1 254.418 2.267 20 0 CEADMP CCOCC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310981533 376647774 /nfs/dbraw/zinc/64/77/74/376647774.db2.gz TYQHQAKVKVIKPK-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CCc1nc(N2CCC([C@H]3CC[NH2+]C3)CC2)cc(C)[nH+]1 ZINC000420254765 376665158 /nfs/dbraw/zinc/66/51/58/376665158.db2.gz HAGRCPOKGRJHGX-AWEZNQCLSA-N 2 1 274.412 2.173 20 0 CEADMP c1cc2[nH+]ccc(N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2s1 ZINC000420264813 376676040 /nfs/dbraw/zinc/67/60/40/376676040.db2.gz UUKXCEKUQCWAPO-WDEREUQCSA-N 2 1 259.378 2.342 20 0 CEADMP c1cc2[nH+]ccc(N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2s1 ZINC000420264807 376676253 /nfs/dbraw/zinc/67/62/53/376676253.db2.gz UUKXCEKUQCWAPO-GHMZBOCLSA-N 2 1 259.378 2.342 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000420383539 376684349 /nfs/dbraw/zinc/68/43/49/376684349.db2.gz BSSNZXPDHYNLIW-UHFFFAOYSA-N 2 1 288.395 2.211 20 0 CEADMP Cc1ccc(SCC[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1C ZINC000420385671 376684570 /nfs/dbraw/zinc/68/45/70/376684570.db2.gz HTJVVOZLEICEIR-HNNXBMFYSA-N 2 1 294.464 2.445 20 0 CEADMP Cc1ccc(SCC[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1C ZINC000420385671 376684575 /nfs/dbraw/zinc/68/45/75/376684575.db2.gz HTJVVOZLEICEIR-HNNXBMFYSA-N 2 1 294.464 2.445 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](CCc2ccc3ccccc3c2)CCCO1 ZINC000420389664 376686589 /nfs/dbraw/zinc/68/65/89/376686589.db2.gz MHTZPBCTLDPNPI-SFHVURJKSA-N 2 1 284.403 2.432 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CCc2ccc3ccccc3c2)CCCO1 ZINC000420389664 376686593 /nfs/dbraw/zinc/68/65/93/376686593.db2.gz MHTZPBCTLDPNPI-SFHVURJKSA-N 2 1 284.403 2.432 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)ccn1 ZINC000559893624 376698966 /nfs/dbraw/zinc/69/89/66/376698966.db2.gz HKNJFSNKPYUFEX-KBPBESRZSA-N 2 1 277.412 2.473 20 0 CEADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(F)cn1 ZINC000312015206 376698896 /nfs/dbraw/zinc/69/88/96/376698896.db2.gz UZJGJLCLNIKUDI-ZDUSSCGKSA-N 2 1 262.332 2.467 20 0 CEADMP CCO[C@H]1C[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000559949909 376701700 /nfs/dbraw/zinc/70/17/00/376701700.db2.gz SBHZULDRCCZZET-CABCVRRESA-N 2 1 252.402 2.160 20 0 CEADMP CCO[C@H]1C[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000559949917 376701904 /nfs/dbraw/zinc/70/19/04/376701904.db2.gz SBHZULDRCCZZET-GJZGRUSLSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@]1(c2ccccc2)C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000560125051 376713544 /nfs/dbraw/zinc/71/35/44/376713544.db2.gz NFSNKPOKBIPPFW-QGZVFWFLSA-N 2 1 274.408 2.234 20 0 CEADMP Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1c[nH]c2nccnc12 ZINC000290349707 376742367 /nfs/dbraw/zinc/74/23/67/376742367.db2.gz FJNIWVDYPXQNKC-AWEZNQCLSA-N 2 1 296.378 2.127 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@]1(C)C[NH3+] ZINC000560966834 376786606 /nfs/dbraw/zinc/78/66/06/376786606.db2.gz VQAJGUTXLOETCJ-RHSMWYFYSA-N 2 1 284.407 2.289 20 0 CEADMP Cc1c(Cl)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)nn1C ZINC000421390100 376806889 /nfs/dbraw/zinc/80/68/89/376806889.db2.gz ZMSTXDZTOTZCML-LBPRGKRZSA-N 2 1 284.835 2.203 20 0 CEADMP Cc1c(Cl)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)nn1C ZINC000421390100 376806894 /nfs/dbraw/zinc/80/68/94/376806894.db2.gz ZMSTXDZTOTZCML-LBPRGKRZSA-N 2 1 284.835 2.203 20 0 CEADMP Cc1nc(F)ccc1C[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000290585255 376844766 /nfs/dbraw/zinc/84/47/66/376844766.db2.gz UVWBZBPOEGMVKR-SMDDNHRTSA-N 2 1 265.376 2.301 20 0 CEADMP Cc1nc(F)ccc1C[N@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000290585255 376844775 /nfs/dbraw/zinc/84/47/75/376844775.db2.gz UVWBZBPOEGMVKR-SMDDNHRTSA-N 2 1 265.376 2.301 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422901779 376859182 /nfs/dbraw/zinc/85/91/82/376859182.db2.gz CGUUTSRLBSNPCL-ZMSDIMECSA-N 2 1 277.456 2.265 20 0 CEADMP CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000422979252 376902717 /nfs/dbraw/zinc/90/27/17/376902717.db2.gz MHSMACWVHJRQEM-YIONKMFJSA-N 2 1 275.396 2.243 20 0 CEADMP CC1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000562328554 376868430 /nfs/dbraw/zinc/86/84/30/376868430.db2.gz MKOSUGXVTDCPQL-KRWDZBQOSA-N 2 1 274.408 2.013 20 0 CEADMP CC1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000562328554 376868432 /nfs/dbraw/zinc/86/84/32/376868432.db2.gz MKOSUGXVTDCPQL-KRWDZBQOSA-N 2 1 274.408 2.013 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423087690 376979949 /nfs/dbraw/zinc/97/99/49/376979949.db2.gz OQMMIPPONMYCAI-YKWDICOMSA-N 2 1 288.435 2.130 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422994834 376909368 /nfs/dbraw/zinc/90/93/68/376909368.db2.gz IPVMMYNOIXOULM-ZACQAIPSSA-N 3 1 281.488 2.462 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422994834 376909377 /nfs/dbraw/zinc/90/93/77/376909377.db2.gz IPVMMYNOIXOULM-ZACQAIPSSA-N 2 1 281.488 2.462 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422994834 376909382 /nfs/dbraw/zinc/90/93/82/376909382.db2.gz IPVMMYNOIXOULM-ZACQAIPSSA-N 2 1 281.488 2.462 20 0 CEADMP COc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c2ccccc2n1 ZINC000423003825 376922471 /nfs/dbraw/zinc/92/24/71/376922471.db2.gz IVUAYDIAGOKVHY-ZFWWWQNUSA-N 2 1 271.364 2.213 20 0 CEADMP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423023570 376939569 /nfs/dbraw/zinc/93/95/69/376939569.db2.gz KANSWBVTJKBCSO-ILXRZTDVSA-N 2 1 292.423 2.298 20 0 CEADMP C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1c[nH+]ccc1N ZINC000423036428 376942793 /nfs/dbraw/zinc/94/27/93/376942793.db2.gz LAYCVKZGKXQIRY-OLZOCXBDSA-N 2 1 263.385 2.494 20 0 CEADMP C[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423042568 376947911 /nfs/dbraw/zinc/94/79/11/376947911.db2.gz LESSYYUPUYKYJB-ZANVPECISA-N 2 1 272.314 2.377 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000423064571 376952744 /nfs/dbraw/zinc/95/27/44/376952744.db2.gz RTKZWUFZRARIJE-RNJOBUHISA-N 2 1 294.361 2.200 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423075713 376969149 /nfs/dbraw/zinc/96/91/49/376969149.db2.gz XQTWLQUJCNKLDB-AAEUAGOBSA-N 2 1 284.350 2.418 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423124755 377022709 /nfs/dbraw/zinc/02/27/09/377022709.db2.gz PAFOBXXXLVYBOK-NFOMZHRRSA-N 3 1 255.450 2.214 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423124755 377022712 /nfs/dbraw/zinc/02/27/12/377022712.db2.gz PAFOBXXXLVYBOK-NFOMZHRRSA-N 3 1 255.450 2.214 20 0 CEADMP Cc1cccnc1C(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423133790 377033344 /nfs/dbraw/zinc/03/33/44/377033344.db2.gz CXEXNDWUQCLVDX-ZIAGYGMSSA-N 2 1 261.413 2.398 20 0 CEADMP CC[C@@H]([NH2+][C@@H]1COc2c(C)cccc2C1)[C@@H]1CCC[NH2+]1 ZINC000423140008 377038904 /nfs/dbraw/zinc/03/89/04/377038904.db2.gz LXANSOHTOOSIAS-XHSDSOJGSA-N 2 1 274.408 2.419 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423143302 377041504 /nfs/dbraw/zinc/04/15/04/377041504.db2.gz WXHCHGAGZDKOAC-SOUVJXGZSA-N 2 1 255.450 2.356 20 0 CEADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423091030 376985746 /nfs/dbraw/zinc/98/57/46/376985746.db2.gz YZXRNVZLYZOCSF-ILXRZTDVSA-N 2 1 267.461 2.214 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423091030 376985759 /nfs/dbraw/zinc/98/57/59/376985759.db2.gz YZXRNVZLYZOCSF-ILXRZTDVSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1c[nH+]ccc1N ZINC000423095573 376989281 /nfs/dbraw/zinc/98/92/81/376989281.db2.gz FNHPBTQIRMWPFC-JSGCOSHPSA-N 2 1 277.412 2.334 20 0 CEADMP Cc1cc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)n(C)n1 ZINC000423108046 377000790 /nfs/dbraw/zinc/00/07/90/377000790.db2.gz QQRWELSAGACHFN-JSGCOSHPSA-N 2 1 264.417 2.129 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000423113020 377008521 /nfs/dbraw/zinc/00/85/21/377008521.db2.gz YBPDOWXSXNXQDK-WBMJQRKESA-N 2 1 257.381 2.298 20 0 CEADMP C[C@H]([NH2+]CC1(c2ccccn2)CCC1)[C@H]1CCC[NH2+]1 ZINC000423114759 377010504 /nfs/dbraw/zinc/01/05/04/377010504.db2.gz WGEBDBAMUXERPL-UONOGXRCSA-N 2 1 259.397 2.233 20 0 CEADMP C[C@@H]([NH2+]C[C@@](C)(CO)c1ccccc1)c1c[nH+]ccc1N ZINC000423116084 377011244 /nfs/dbraw/zinc/01/12/44/377011244.db2.gz ZLCFGRHNHHIADQ-DYVFJYSZSA-N 2 1 285.391 2.095 20 0 CEADMP C[C@H]([NH2+]CCC[NH3+])c1nc2ccc(Cl)cc2n1C ZINC000423196544 377110894 /nfs/dbraw/zinc/11/08/94/377110894.db2.gz VMIJPROGPISKAF-VIFPVBQESA-N 2 1 266.776 2.226 20 0 CEADMP C[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423200740 377115785 /nfs/dbraw/zinc/11/57/85/377115785.db2.gz MZJIHSBNVPXKQC-DOTOQJQBSA-N 3 1 275.440 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423200740 377115789 /nfs/dbraw/zinc/11/57/89/377115789.db2.gz MZJIHSBNVPXKQC-DOTOQJQBSA-N 3 1 275.440 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423200740 377115792 /nfs/dbraw/zinc/11/57/92/377115792.db2.gz MZJIHSBNVPXKQC-DOTOQJQBSA-N 3 1 275.440 2.096 20 0 CEADMP C[NH2+]CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423200743 377117253 /nfs/dbraw/zinc/11/72/53/377117253.db2.gz MZJIHSBNVPXKQC-WBVHZDCISA-N 2 1 275.440 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423200743 377117260 /nfs/dbraw/zinc/11/72/60/377117260.db2.gz MZJIHSBNVPXKQC-WBVHZDCISA-N 3 1 275.440 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423200743 377117264 /nfs/dbraw/zinc/11/72/64/377117264.db2.gz MZJIHSBNVPXKQC-WBVHZDCISA-N 3 1 275.440 2.096 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCN1C[C@H]1CCCC[NH+]1C(C)C ZINC000563024030 377064927 /nfs/dbraw/zinc/06/49/27/377064927.db2.gz XHVGTOVFHQHWKI-HZPDHXFCSA-N 2 1 267.461 2.275 20 0 CEADMP CC[C@@H]1C[NH+](C)CCN1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000563024030 377064936 /nfs/dbraw/zinc/06/49/36/377064936.db2.gz XHVGTOVFHQHWKI-HZPDHXFCSA-N 2 1 267.461 2.275 20 0 CEADMP CC[C@@H]1C[NH+](C)CCN1C[C@H]1CCCC[N@H+]1C(C)C ZINC000563024030 377064943 /nfs/dbraw/zinc/06/49/43/377064943.db2.gz XHVGTOVFHQHWKI-HZPDHXFCSA-N 2 1 267.461 2.275 20 0 CEADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000423168633 377075178 /nfs/dbraw/zinc/07/51/78/377075178.db2.gz UWXPCPDVSLDMFI-OZVIIMIRSA-N 2 1 280.387 2.495 20 0 CEADMP CC[C@@H]([NH2+][C@H]1Cc2cccc(OC)c2C1)[C@@H]1CCC[NH2+]1 ZINC000423171815 377079145 /nfs/dbraw/zinc/07/91/45/377079145.db2.gz QBNLLDGKWJNPBW-IMJJTQAJSA-N 2 1 274.408 2.283 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cn1 ZINC000423207068 377124125 /nfs/dbraw/zinc/12/41/25/377124125.db2.gz GOAPYAZWMWVJEX-OLZOCXBDSA-N 2 1 250.390 2.114 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1c[nH+]ccc1N ZINC000423174040 377082133 /nfs/dbraw/zinc/08/21/33/377082133.db2.gz BAYBYMRSKXGJAQ-YPMHNXCESA-N 2 1 289.354 2.060 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C12CCC2 ZINC000423173055 377082555 /nfs/dbraw/zinc/08/25/55/377082555.db2.gz WUAZWEMRSQAWQC-AAVRWANBSA-N 2 1 252.402 2.064 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423173629 377082851 /nfs/dbraw/zinc/08/28/51/377082851.db2.gz ZLVGNSOBXZDMTK-JQHSSLGASA-N 3 1 289.467 2.266 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423173629 377082859 /nfs/dbraw/zinc/08/28/59/377082859.db2.gz ZLVGNSOBXZDMTK-JQHSSLGASA-N 2 1 289.467 2.266 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423173629 377082865 /nfs/dbraw/zinc/08/28/65/377082865.db2.gz ZLVGNSOBXZDMTK-JQHSSLGASA-N 2 1 289.467 2.266 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000423183273 377096553 /nfs/dbraw/zinc/09/65/53/377096553.db2.gz HPEQIJKGSRUPDF-SOUVJXGZSA-N 2 1 266.429 2.456 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000423183272 377096995 /nfs/dbraw/zinc/09/69/95/377096995.db2.gz HPEQIJKGSRUPDF-RRFJBIMHSA-N 2 1 266.429 2.456 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423269545 377189934 /nfs/dbraw/zinc/18/99/34/377189934.db2.gz HEBJBUPPGRCOJB-GJZGRUSLSA-N 2 1 286.423 2.438 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](NCC[NH2+]C2CCCCCC2)C1 ZINC000423270539 377190010 /nfs/dbraw/zinc/19/00/10/377190010.db2.gz GQFRIJZAFNAUDY-GDBMZVCRSA-N 2 1 267.461 2.229 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423272054 377191512 /nfs/dbraw/zinc/19/15/12/377191512.db2.gz JPQQJKHKEBLTQU-BQFCYCMXSA-N 2 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423272054 377191524 /nfs/dbraw/zinc/19/15/24/377191524.db2.gz JPQQJKHKEBLTQU-BQFCYCMXSA-N 3 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423272054 377191534 /nfs/dbraw/zinc/19/15/34/377191534.db2.gz JPQQJKHKEBLTQU-BQFCYCMXSA-N 3 1 289.467 2.342 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)[C@H]1CCC[NH2+]C1 ZINC000423213670 377128740 /nfs/dbraw/zinc/12/87/40/377128740.db2.gz KJOUMOZUMPIQTJ-WOPDTQHZSA-N 2 1 251.349 2.259 20 0 CEADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CC[NH2+]C2)C3)cc1 ZINC000423216706 377134689 /nfs/dbraw/zinc/13/46/89/377134689.db2.gz QNVLNYVWCAASLA-ZJPYXAASSA-N 2 1 285.435 2.134 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C12CCCC2 ZINC000423245175 377164657 /nfs/dbraw/zinc/16/46/57/377164657.db2.gz YGXAFKRPMJOFDV-MELADBBJSA-N 2 1 252.402 2.066 20 0 CEADMP C[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423250566 377169859 /nfs/dbraw/zinc/16/98/59/377169859.db2.gz UNBWFQNDQVYWOO-KZNAEPCWSA-N 2 1 287.451 2.239 20 0 CEADMP CC[NH2+]CC[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000423251831 377172879 /nfs/dbraw/zinc/17/28/79/377172879.db2.gz XCLOEIUTWRMKPN-MRXNPFEDSA-N 2 1 262.397 2.215 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423263323 377182049 /nfs/dbraw/zinc/18/20/49/377182049.db2.gz AXAUJPVLNMXBPO-KBAYOESNSA-N 2 1 289.467 2.470 20 0 CEADMP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423265468 377184435 /nfs/dbraw/zinc/18/44/35/377184435.db2.gz AXUMIFSAHSLQJR-OLZOCXBDSA-N 2 1 264.344 2.149 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc2c(c1)OCCO2 ZINC000423266930 377185109 /nfs/dbraw/zinc/18/51/09/377185109.db2.gz DZFDDHPFBXFZLM-ZIAGYGMSSA-N 2 1 278.396 2.482 20 0 CEADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1F ZINC000423281350 377208941 /nfs/dbraw/zinc/20/89/41/377208941.db2.gz UIAPDASSAYXMMG-RNCFNFMXSA-N 2 1 252.333 2.222 20 0 CEADMP C[C@@H]([NH2+][C@@H](CN)C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423283030 377209850 /nfs/dbraw/zinc/20/98/50/377209850.db2.gz VRBVBELLPUONJN-DYVFJYSZSA-N 2 1 291.439 2.015 20 0 CEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423283030 377209859 /nfs/dbraw/zinc/20/98/59/377209859.db2.gz VRBVBELLPUONJN-DYVFJYSZSA-N 3 1 291.439 2.015 20 0 CEADMP C[C@H]1CC([NH2+]C2(CCO)CC[NH+](C)CC2)C[C@H](C)C1 ZINC000563414894 377213614 /nfs/dbraw/zinc/21/36/14/377213614.db2.gz ATJNFJFAWZSMFV-ZIAGYGMSSA-N 2 1 268.445 2.248 20 0 CEADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423292475 377221413 /nfs/dbraw/zinc/22/14/13/377221413.db2.gz NDTAMKBDURWSFL-NSHDSACASA-N 3 1 264.417 2.017 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000423294954 377221590 /nfs/dbraw/zinc/22/15/90/377221590.db2.gz VVIJWQZHVKAQKM-RCBQFDQVSA-N 3 1 261.413 2.456 20 0 CEADMP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH3+])nnn1-c1ccc(C)cc1 ZINC000423294204 377222894 /nfs/dbraw/zinc/22/28/94/377222894.db2.gz BHIUYUAJXZKTTF-STQMWFEESA-N 2 1 287.411 2.130 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000563444536 377227788 /nfs/dbraw/zinc/22/77/88/377227788.db2.gz OGBRDZBEVVFELK-BHTHQVBYSA-N 2 1 292.398 2.448 20 0 CEADMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(C(=O)OC)cc1 ZINC000423311297 377240591 /nfs/dbraw/zinc/24/05/91/377240591.db2.gz BSZFUUFCVJXSOW-GJZGRUSLSA-N 2 1 276.380 2.251 20 0 CEADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423311932 377241178 /nfs/dbraw/zinc/24/11/78/377241178.db2.gz CGSQPVJEAKRYRB-IRXDYDNUSA-N 2 1 299.422 2.045 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH3+])CCC1 ZINC000423315848 377246397 /nfs/dbraw/zinc/24/63/97/377246397.db2.gz BCAXDNUPIVXYIY-WBVHZDCISA-N 2 1 287.451 2.368 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423323192 377254997 /nfs/dbraw/zinc/25/49/97/377254997.db2.gz ACQWROHBICTFAG-BXUZGUMPSA-N 2 1 251.349 2.261 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc2c(c1)OCCO2 ZINC000423326143 377258054 /nfs/dbraw/zinc/25/80/54/377258054.db2.gz QOPNURUCCQKSRJ-ZIAGYGMSSA-N 2 1 276.380 2.236 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]([NH3+])C1CC1 ZINC000423327330 377260860 /nfs/dbraw/zinc/26/08/60/377260860.db2.gz RHVRUUBGKYHJQZ-OLMNPRSZSA-N 2 1 287.451 2.224 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c(c3)CCO4)C2)C1 ZINC000292897994 377339796 /nfs/dbraw/zinc/33/97/96/377339796.db2.gz ZQTBDJLJJKHSHB-QGZVFWFLSA-N 2 1 272.392 2.149 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c(c3)CCO4)C2)C1 ZINC000292897994 377339805 /nfs/dbraw/zinc/33/98/05/377339805.db2.gz ZQTBDJLJJKHSHB-QGZVFWFLSA-N 2 1 272.392 2.149 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)CCO4)C2)C1 ZINC000292897994 377339807 /nfs/dbraw/zinc/33/98/07/377339807.db2.gz ZQTBDJLJJKHSHB-QGZVFWFLSA-N 2 1 272.392 2.149 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)CCO4)C2)C1 ZINC000292897994 377339813 /nfs/dbraw/zinc/33/98/13/377339813.db2.gz ZQTBDJLJJKHSHB-QGZVFWFLSA-N 2 1 272.392 2.149 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000563980699 377334638 /nfs/dbraw/zinc/33/46/38/377334638.db2.gz PFJUBGRWCPMMNK-MOPGFXCFSA-N 2 1 299.462 2.431 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCc3ccncc3)C2)C1 ZINC000292893599 377337622 /nfs/dbraw/zinc/33/76/22/377337622.db2.gz GCTIKMCQEUUJHO-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCc3ccncc3)C2)C1 ZINC000292893599 377337624 /nfs/dbraw/zinc/33/76/24/377337624.db2.gz GCTIKMCQEUUJHO-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3ccncc3)C2)C1 ZINC000292893599 377337629 /nfs/dbraw/zinc/33/76/29/377337629.db2.gz GCTIKMCQEUUJHO-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCCc2ccccc21 ZINC000564384000 377383951 /nfs/dbraw/zinc/38/39/51/377383951.db2.gz FVICQRDDIRJYNN-WMZOPIPTSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCCc2ccccc21 ZINC000564384000 377383959 /nfs/dbraw/zinc/38/39/59/377383959.db2.gz FVICQRDDIRJYNN-WMZOPIPTSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)[C@H]1CCCc2ccccc21)C1CC1 ZINC000564384000 377383966 /nfs/dbraw/zinc/38/39/66/377383966.db2.gz FVICQRDDIRJYNN-WMZOPIPTSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)[C@H]1CCCc2ccccc21)C1CC1 ZINC000564384000 377383969 /nfs/dbraw/zinc/38/39/69/377383969.db2.gz FVICQRDDIRJYNN-WMZOPIPTSA-N 2 1 288.435 2.451 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000564422645 377389558 /nfs/dbraw/zinc/38/95/58/377389558.db2.gz ZMNXQBOYAPGNJI-UHFFFAOYSA-N 2 1 285.391 2.258 20 0 CEADMP Cc1ccccc1C1(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000564849043 377475430 /nfs/dbraw/zinc/47/54/30/377475430.db2.gz PUHKPZZBTZWUAX-MRXNPFEDSA-N 2 1 288.435 2.071 20 0 CEADMP Cc1ccccc1C1(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000564849043 377475437 /nfs/dbraw/zinc/47/54/37/377475437.db2.gz PUHKPZZBTZWUAX-MRXNPFEDSA-N 2 1 288.435 2.071 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H](O)Cc1ccccc1 ZINC000293367849 377539518 /nfs/dbraw/zinc/53/95/18/377539518.db2.gz OUZQBIBDAKFPKN-IAGOWNOFSA-N 2 1 276.424 2.006 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H](O)Cc1ccccc1 ZINC000293367849 377539523 /nfs/dbraw/zinc/53/95/23/377539523.db2.gz OUZQBIBDAKFPKN-IAGOWNOFSA-N 2 1 276.424 2.006 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H](O)Cc1ccccc1 ZINC000293367849 377539529 /nfs/dbraw/zinc/53/95/29/377539529.db2.gz OUZQBIBDAKFPKN-IAGOWNOFSA-N 2 1 276.424 2.006 20 0 CEADMP CC[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000565004451 377528971 /nfs/dbraw/zinc/52/89/71/377528971.db2.gz ORSZOOMHPNPUEW-OFQRWUPVSA-N 2 1 291.439 2.139 20 0 CEADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430948836 377569941 /nfs/dbraw/zinc/56/99/41/377569941.db2.gz AHTLAOZXKZDVRH-GFCCVEGCSA-N 2 1 293.436 2.018 20 0 CEADMP Cn1cncc1CCC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000565158579 377575403 /nfs/dbraw/zinc/57/54/03/377575403.db2.gz TVOCSTKFAXNZAZ-SFHVURJKSA-N 2 1 297.402 2.484 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000565158579 377575409 /nfs/dbraw/zinc/57/54/09/377575409.db2.gz TVOCSTKFAXNZAZ-SFHVURJKSA-N 2 1 297.402 2.484 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000431051843 377591478 /nfs/dbraw/zinc/59/14/78/377591478.db2.gz RFHUZPLALLXBPW-LSDHHAIUSA-N 2 1 283.460 2.132 20 0 CEADMP CCS[C@H]1CCCCN(Cc2nc(C(C)(C)N)no2)C1 ZINC000431074025 377593745 /nfs/dbraw/zinc/59/37/45/377593745.db2.gz OXPXWBFPTSWTFI-NSHDSACASA-N 2 1 298.456 2.371 20 0 CEADMP CCS[C@H]1CCCC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431074025 377593750 /nfs/dbraw/zinc/59/37/50/377593750.db2.gz OXPXWBFPTSWTFI-NSHDSACASA-N 2 1 298.456 2.371 20 0 CEADMP CCS[C@H]1CCCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431074025 377593756 /nfs/dbraw/zinc/59/37/56/377593756.db2.gz OXPXWBFPTSWTFI-NSHDSACASA-N 2 1 298.456 2.371 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cccn2C)C1 ZINC000161666088 249321338 /nfs/dbraw/zinc/32/13/38/249321338.db2.gz LLQKPLYXHZKEDJ-GASCZTMLSA-N 2 1 263.429 2.483 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cccn2C)C1 ZINC000161666088 249321341 /nfs/dbraw/zinc/32/13/41/249321341.db2.gz LLQKPLYXHZKEDJ-GASCZTMLSA-N 2 1 263.429 2.483 20 0 CEADMP CC[C@H]1C[NH+](C)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000565264998 377628449 /nfs/dbraw/zinc/62/84/49/377628449.db2.gz BRKLZROXLAMHBT-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[NH+](C)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000565264998 377628458 /nfs/dbraw/zinc/62/84/58/377628458.db2.gz BRKLZROXLAMHBT-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+]1CCC(C[NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000565321948 377641339 /nfs/dbraw/zinc/64/13/39/377641339.db2.gz OREYPLDEICBBGY-UHFFFAOYSA-N 2 1 272.396 2.384 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000565627557 377682390 /nfs/dbraw/zinc/68/23/90/377682390.db2.gz UZYWOPKYCMWXNF-UHFFFAOYSA-N 2 1 276.424 2.438 20 0 CEADMP CCCC[C@@H](COC)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432418574 377759195 /nfs/dbraw/zinc/75/91/95/377759195.db2.gz STQHSOHBCLNIDP-HOTGVXAUSA-N 2 1 286.460 2.282 20 0 CEADMP CCCC[C@@H](COC)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432418574 377759200 /nfs/dbraw/zinc/75/92/00/377759200.db2.gz STQHSOHBCLNIDP-HOTGVXAUSA-N 2 1 286.460 2.282 20 0 CEADMP C[C@@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[NH+](C)C ZINC000566924113 377784821 /nfs/dbraw/zinc/78/48/21/377784821.db2.gz MQQMCFFJXILECA-SMDDNHRTSA-N 2 1 297.830 2.009 20 0 CEADMP CCC[N@@H+](CCC[NH2+]C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000435877908 377813292 /nfs/dbraw/zinc/81/32/92/377813292.db2.gz WDUOAWXTZSCVDV-MGPQQGTHSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]1CCC[C@H](C)C1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442875198 378011000 /nfs/dbraw/zinc/01/10/00/378011000.db2.gz ONQAZSKJERKIEZ-GJZGRUSLSA-N 2 1 281.488 2.427 20 0 CEADMP C[N@H+](Cc1cc(C(F)(F)F)n[nH]1)CC1CC[NH+](C)CC1 ZINC000442883867 378012672 /nfs/dbraw/zinc/01/26/72/378012672.db2.gz WPHBVHLUJUAWSH-UHFFFAOYSA-N 2 1 290.333 2.202 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000442917087 378017308 /nfs/dbraw/zinc/01/73/08/378017308.db2.gz CAVMCMWKMKTOMW-OAHLLOKOSA-N 2 1 288.439 2.243 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000442918179 378017508 /nfs/dbraw/zinc/01/75/08/378017508.db2.gz CDCXJQFGWFGLSO-AWEZNQCLSA-N 2 1 290.407 2.409 20 0 CEADMP CSc1ccc(OCC[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442758035 377990651 /nfs/dbraw/zinc/99/06/51/377990651.db2.gz IEKOCYWTZQKRSD-STQMWFEESA-N 2 1 280.437 2.456 20 0 CEADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000442812936 378001512 /nfs/dbraw/zinc/00/15/12/378001512.db2.gz SCMFAVILFIBSEB-AJNGGQMLSA-N 2 1 252.402 2.160 20 0 CEADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(F)c1 ZINC000443059083 378031538 /nfs/dbraw/zinc/03/15/38/378031538.db2.gz LYKXWZPNVOIZJW-ZDUSSCGKSA-N 2 1 293.386 2.133 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(F)c1 ZINC000443059083 378031543 /nfs/dbraw/zinc/03/15/43/378031543.db2.gz LYKXWZPNVOIZJW-ZDUSSCGKSA-N 2 1 293.386 2.133 20 0 CEADMP CN(CC1CCCCC1)C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057893 378031803 /nfs/dbraw/zinc/03/18/03/378031803.db2.gz LKMLHABDTZCKNI-INIZCTEOSA-N 2 1 295.471 2.086 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CS1 ZINC000443066808 378033083 /nfs/dbraw/zinc/03/30/83/378033083.db2.gz HZPQYIQXQMWAJU-CABCVRRESA-N 2 1 299.528 2.132 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443079420 378035677 /nfs/dbraw/zinc/03/56/77/378035677.db2.gz ZMHGFKGVPAXHCN-AWEZNQCLSA-N 2 1 284.407 2.499 20 0 CEADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000443314662 378044758 /nfs/dbraw/zinc/04/47/58/378044758.db2.gz ZOJZIOQUMSGJRB-OAGGEKHMSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449361263 378205008 /nfs/dbraw/zinc/20/50/08/378205008.db2.gz JBFMTDWOQHANCH-XHSDSOJGSA-N 2 1 295.471 2.084 20 0 CEADMP C[N@@H+](CCO)C1CCN(CCc2ccc(Cl)cc2)CC1 ZINC000450375742 378381453 /nfs/dbraw/zinc/38/14/53/378381453.db2.gz ZDXDCKXQZYGQFC-UHFFFAOYSA-N 2 1 296.842 2.271 20 0 CEADMP C[N@@H+](CCO)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000450375742 378381465 /nfs/dbraw/zinc/38/14/65/378381465.db2.gz ZDXDCKXQZYGQFC-UHFFFAOYSA-N 2 1 296.842 2.271 20 0 CEADMP CCc1cc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc[nH+]1 ZINC000450379692 378383411 /nfs/dbraw/zinc/38/34/11/378383411.db2.gz ONRXYPXUVHKYPP-AWEZNQCLSA-N 2 1 261.413 2.456 20 0 CEADMP CN(CC[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000450397036 378392492 /nfs/dbraw/zinc/39/24/92/378392492.db2.gz YGWCFROIGVPHMT-GOSISDBHSA-N 2 1 287.451 2.287 20 0 CEADMP CN(CC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000450397036 378392499 /nfs/dbraw/zinc/39/24/99/378392499.db2.gz YGWCFROIGVPHMT-GOSISDBHSA-N 2 1 287.451 2.287 20 0 CEADMP CN(CC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000450397036 378392503 /nfs/dbraw/zinc/39/25/03/378392503.db2.gz YGWCFROIGVPHMT-GOSISDBHSA-N 2 1 287.451 2.287 20 0 CEADMP Cc1cccnc1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000296323868 378492037 /nfs/dbraw/zinc/49/20/37/378492037.db2.gz GYTMOZVMCOUOSN-SQWLQELKSA-N 2 1 261.413 2.251 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000450646278 378516399 /nfs/dbraw/zinc/51/63/99/378516399.db2.gz HNTZFGFUHMOPGQ-BZUAXINKSA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000450646278 378516404 /nfs/dbraw/zinc/51/64/04/378516404.db2.gz HNTZFGFUHMOPGQ-BZUAXINKSA-N 2 1 267.461 2.274 20 0 CEADMP COCC[N@H+]1CC[C@H](Nc2ccc3c[nH+]ccc3c2)C1 ZINC000296470618 378542755 /nfs/dbraw/zinc/54/27/55/378542755.db2.gz HOANHDCWWDWUFR-INIZCTEOSA-N 2 1 271.364 2.367 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000451065350 378696664 /nfs/dbraw/zinc/69/66/64/378696664.db2.gz VBWBKHADQBMBEC-BPQIPLTHSA-N 2 1 288.435 2.179 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000451065350 378696670 /nfs/dbraw/zinc/69/66/70/378696670.db2.gz VBWBKHADQBMBEC-BPQIPLTHSA-N 2 1 288.435 2.179 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000451065350 378696678 /nfs/dbraw/zinc/69/66/78/378696678.db2.gz VBWBKHADQBMBEC-BPQIPLTHSA-N 2 1 288.435 2.179 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000346692350 217989567 /nfs/dbraw/zinc/98/95/67/217989567.db2.gz YIFFYFSNCULNFE-RYUDHWBXSA-N 2 1 282.457 2.158 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000346692350 217989570 /nfs/dbraw/zinc/98/95/70/217989570.db2.gz YIFFYFSNCULNFE-RYUDHWBXSA-N 2 1 282.457 2.158 20 0 CEADMP O=C(CC[NH2+]C1CC[NH+](C2CC2)CC1)Nc1ccccc1 ZINC000298556591 378764439 /nfs/dbraw/zinc/76/44/39/378764439.db2.gz VMCRVTCZVUCFCJ-UHFFFAOYSA-N 2 1 287.407 2.232 20 0 CEADMP CC(C)[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@H]1C(C)C ZINC000453035427 378780975 /nfs/dbraw/zinc/78/09/75/378780975.db2.gz KBSNDPSXQKLOIK-JYJNAYRXSA-N 2 1 268.445 2.054 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@H]1C(C)C ZINC000453035427 378780981 /nfs/dbraw/zinc/78/09/81/378780981.db2.gz KBSNDPSXQKLOIK-JYJNAYRXSA-N 2 1 268.445 2.054 20 0 CEADMP CC(C)[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@H]1C(C)C ZINC000453035427 378780985 /nfs/dbraw/zinc/78/09/85/378780985.db2.gz KBSNDPSXQKLOIK-JYJNAYRXSA-N 2 1 268.445 2.054 20 0 CEADMP CC(C)[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@H]1C(C)C ZINC000453035427 378780990 /nfs/dbraw/zinc/78/09/90/378780990.db2.gz KBSNDPSXQKLOIK-JYJNAYRXSA-N 2 1 268.445 2.054 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453070893 378792889 /nfs/dbraw/zinc/79/28/89/378792889.db2.gz NOBJFICCKNIBLV-INIZCTEOSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccccc1F ZINC000346840735 218032481 /nfs/dbraw/zinc/03/24/81/218032481.db2.gz UNKPVFIRYLYUDO-NEPJUHHUSA-N 2 1 288.370 2.385 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccncn3)CC2)[nH+]1 ZINC000453119635 378809735 /nfs/dbraw/zinc/80/97/35/378809735.db2.gz KRSIZICYJOBGER-AWEZNQCLSA-N 2 1 297.406 2.500 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC)C23CCC3)[C@@H](C)C1 ZINC000453121219 378811500 /nfs/dbraw/zinc/81/15/00/378811500.db2.gz ODJKJZUWJKKYDE-BYNSBNAKSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1ncc(C[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000298716846 378812408 /nfs/dbraw/zinc/81/24/08/378812408.db2.gz XVHAIHLCDWKMLQ-UHFFFAOYSA-N 2 1 250.371 2.136 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278508614 194017838 /nfs/dbraw/zinc/01/78/38/194017838.db2.gz PKCFMCCAEFZQRQ-UHFFFAOYSA-N 3 1 288.439 2.112 20 0 CEADMP CC[N@@H+]1C[C@@H](C)[C@H](N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000453257675 378844164 /nfs/dbraw/zinc/84/41/64/378844164.db2.gz NXOAICZFFALVHO-IXDOHACOSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000453257675 378844171 /nfs/dbraw/zinc/84/41/71/378844171.db2.gz NXOAICZFFALVHO-IXDOHACOSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000344662151 284721439 /nfs/dbraw/zinc/72/14/39/284721439.db2.gz FNMAPZGIEKUIJF-GOEBONIOSA-N 2 1 291.439 2.136 20 0 CEADMP C[C@@H](CCN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000346864245 218041572 /nfs/dbraw/zinc/04/15/72/218041572.db2.gz FSAODYLIVGLADF-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H](CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000346864245 218041573 /nfs/dbraw/zinc/04/15/73/218041573.db2.gz FSAODYLIVGLADF-PMPSAXMXSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H](CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000346864245 218041574 /nfs/dbraw/zinc/04/15/74/218041574.db2.gz FSAODYLIVGLADF-PMPSAXMXSA-N 3 1 267.461 2.181 20 0 CEADMP CCc1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000346864736 218041837 /nfs/dbraw/zinc/04/18/37/218041837.db2.gz YZLKPVBYFKRCHA-DRZSPHRISA-N 2 1 265.426 2.265 20 0 CEADMP C[C@H]1CCN(CC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000346957811 218068455 /nfs/dbraw/zinc/06/84/55/218068455.db2.gz DBPYOSFSOANDLM-HNNXBMFYSA-N 2 1 275.440 2.320 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@]1(C)CCCO1 ZINC000453398197 378886849 /nfs/dbraw/zinc/88/68/49/378886849.db2.gz KIUXJYHEKMJMOG-UKRRQHHQSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@]1(C)CCCO1 ZINC000453398194 378887167 /nfs/dbraw/zinc/88/71/67/378887167.db2.gz KIUXJYHEKMJMOG-DZGCQCFKSA-N 2 1 254.418 2.408 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)cn2)[C@H](C)C1 ZINC000453419823 378897480 /nfs/dbraw/zinc/89/74/80/378897480.db2.gz JUEBMLCTPRLWNV-GDBMZVCRSA-N 2 1 261.413 2.252 20 0 CEADMP COCC[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453375552 378878507 /nfs/dbraw/zinc/87/85/07/378878507.db2.gz XWRINJYKXUSWEH-MOTUXRJWSA-N 2 1 266.429 2.406 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453597019 378916545 /nfs/dbraw/zinc/91/65/45/378916545.db2.gz MVBCEVQVABVVON-UHFFFAOYSA-N 2 1 264.417 2.001 20 0 CEADMP COc1ccccc1/C=C\C[N@H+](C)C1CC[NH2+]CC1 ZINC000347093057 218119967 /nfs/dbraw/zinc/11/99/67/218119967.db2.gz GPKFGXFMDXYELS-ALCCZGGFSA-N 2 1 260.381 2.392 20 0 CEADMP COc1ccccc1/C=C\C[N@@H+](C)C1CC[NH2+]CC1 ZINC000347093057 218119970 /nfs/dbraw/zinc/11/99/70/218119970.db2.gz GPKFGXFMDXYELS-ALCCZGGFSA-N 2 1 260.381 2.392 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000347101693 218121394 /nfs/dbraw/zinc/12/13/94/218121394.db2.gz LEOSWGCQDNRYGX-CQSZACIVSA-N 2 1 272.396 2.005 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000347101693 218121397 /nfs/dbraw/zinc/12/13/97/218121397.db2.gz LEOSWGCQDNRYGX-CQSZACIVSA-N 2 1 272.396 2.005 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2cn(-c3ccncc3)nc2C)CC1 ZINC000347105331 218122338 /nfs/dbraw/zinc/12/23/38/218122338.db2.gz MXMOPCYQPBISAV-UHFFFAOYSA-N 2 1 299.422 2.007 20 0 CEADMP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H](C[NH3+])C3)cnc21 ZINC000347111906 218125926 /nfs/dbraw/zinc/12/59/26/218125926.db2.gz QHQJWKORDIGCCF-CYBMUJFWSA-N 2 1 287.411 2.183 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H](C[NH3+])C3)cnc21 ZINC000347111906 218125928 /nfs/dbraw/zinc/12/59/28/218125928.db2.gz QHQJWKORDIGCCF-CYBMUJFWSA-N 2 1 287.411 2.183 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)c(C)c2)C1 ZINC000347117497 218128107 /nfs/dbraw/zinc/12/81/07/218128107.db2.gz UQJGVXJZVXGBRH-INIZCTEOSA-N 2 1 299.422 2.007 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000180174728 542261604 /nfs/dbraw/zinc/26/16/04/542261604.db2.gz KGMKSCGABUSFKI-OLZOCXBDSA-N 2 1 264.417 2.491 20 0 CEADMP CC[N@@H+]1C[C@@H](C)N(C(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000515014738 379174618 /nfs/dbraw/zinc/17/46/18/379174618.db2.gz QVMKPZXORSPAAM-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000515196937 379193627 /nfs/dbraw/zinc/19/36/27/379193627.db2.gz FQVORACTYILFKT-BBRMVZONSA-N 2 1 273.380 2.328 20 0 CEADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000515356221 379209294 /nfs/dbraw/zinc/20/92/94/379209294.db2.gz UGYNWFSCHHWYJQ-CQSZACIVSA-N 2 1 289.423 2.071 20 0 CEADMP c1cn(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC000278873022 194191129 /nfs/dbraw/zinc/19/11/29/194191129.db2.gz MFZWGGRMNHWEFZ-UHFFFAOYSA-N 2 1 299.422 2.296 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cncc(F)c1 ZINC000278930146 194217643 /nfs/dbraw/zinc/21/76/43/194217643.db2.gz IZGZZUSAZMNXRR-RYUDHWBXSA-N 2 1 274.343 2.330 20 0 CEADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000519382476 379410172 /nfs/dbraw/zinc/41/01/72/379410172.db2.gz DIJGZQDFGRFFQM-NOLJZWGESA-N 2 1 280.387 2.491 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)c(C)n1 ZINC000521992983 379552284 /nfs/dbraw/zinc/55/22/84/379552284.db2.gz IMBSFVSXTFONBI-LLVKDONJSA-N 2 1 250.390 2.132 20 0 CEADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000520795502 379505294 /nfs/dbraw/zinc/50/52/94/379505294.db2.gz FXHONAVNDLMKEZ-VXGBXAGGSA-N 2 1 282.771 2.428 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCO)C1 ZINC000304010511 379511916 /nfs/dbraw/zinc/51/19/16/379511916.db2.gz MWEQIICVNLDWFU-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCO)C1 ZINC000304010511 379511922 /nfs/dbraw/zinc/51/19/22/379511922.db2.gz MWEQIICVNLDWFU-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCO)C1 ZINC000304010511 379511931 /nfs/dbraw/zinc/51/19/31/379511931.db2.gz MWEQIICVNLDWFU-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP CCc1ccc([C@H](CC)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000305125953 379650824 /nfs/dbraw/zinc/65/08/24/379650824.db2.gz LDTZJACRACAHJW-CVEARBPZSA-N 2 1 264.413 2.212 20 0 CEADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000305224367 379689437 /nfs/dbraw/zinc/68/94/37/379689437.db2.gz NPRTVSNTTGQZAS-SFHVURJKSA-N 2 1 299.418 2.151 20 0 CEADMP CN(C)c1cc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc[nH+]1 ZINC000267213642 190312109 /nfs/dbraw/zinc/31/21/09/190312109.db2.gz HNMNKDUJYDENSZ-UHFFFAOYSA-N 2 1 298.390 2.462 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCC[C@@H]2O)[C@@H](C)C1 ZINC000305197446 379680840 /nfs/dbraw/zinc/68/08/40/379680840.db2.gz ZOSWJQLBBSAGGR-VGWMRTNUSA-N 2 1 268.445 2.248 20 0 CEADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000526106459 379702107 /nfs/dbraw/zinc/70/21/07/379702107.db2.gz ZIHRGSDOHHHDBX-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC34CCC(CC3)C4)C2)CC1 ZINC000347738994 218339988 /nfs/dbraw/zinc/33/99/88/218339988.db2.gz SNLPORIVWQKKFG-LXPRWKDFSA-N 2 1 291.483 2.279 20 0 CEADMP COCCC1CC[NH+]([C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000527938066 379851182 /nfs/dbraw/zinc/85/11/82/379851182.db2.gz YBRDZZMFTJKDCC-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP COCCC1CC[NH+]([C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000527938066 379851187 /nfs/dbraw/zinc/85/11/87/379851187.db2.gz YBRDZZMFTJKDCC-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)nc2)C[C@H]1C ZINC000267719767 190350062 /nfs/dbraw/zinc/35/00/62/190350062.db2.gz AJOHWQBDHKHIBM-BETUJISGSA-N 2 1 256.353 2.355 20 0 CEADMP C[C@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCCCCC1 ZINC000458159313 380025096 /nfs/dbraw/zinc/02/50/96/380025096.db2.gz DZGRCLIEZQDNJD-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CC1CC[NH+](CCN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000489914620 380222223 /nfs/dbraw/zinc/22/22/23/380222223.db2.gz SOTFJMIWAYCWQL-SFHVURJKSA-N 2 1 293.499 2.382 20 0 CEADMP Cc1nn(C)cc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000536653014 380231476 /nfs/dbraw/zinc/23/14/76/380231476.db2.gz RHBSPOZGFGKKEU-UHFFFAOYSA-N 2 1 278.444 2.281 20 0 CEADMP Cc1nc2c(c(NC[C@@H]3CC[N@H+](C(C)C)C3)n1)CCCC2 ZINC000542949324 380325622 /nfs/dbraw/zinc/32/56/22/380325622.db2.gz XJEZBNSMBUWDHV-AWEZNQCLSA-N 2 1 288.439 2.228 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)/C=C\C[NH+](C)C)C1 ZINC000491884763 380371043 /nfs/dbraw/zinc/37/10/43/380371043.db2.gz NNCMPKAGMZBTQQ-WWRUEGTHSA-N 2 1 295.471 2.121 20 0 CEADMP CCc1nc(C)c(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)o1 ZINC000334392417 380346569 /nfs/dbraw/zinc/34/65/69/380346569.db2.gz XQIFNQGYCAKGCE-INIZCTEOSA-N 2 1 277.412 2.463 20 0 CEADMP Cn1cnc2cc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)ccc21 ZINC000334491733 380481880 /nfs/dbraw/zinc/48/18/80/380481880.db2.gz DQMXCCJBMJQHDR-AWEZNQCLSA-N 2 1 272.396 2.147 20 0 CEADMP C[NH+]1CCCC[C@H]1CCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000549840609 380612968 /nfs/dbraw/zinc/61/29/68/380612968.db2.gz LWQRTHDFQYKPSK-DLBZAZTESA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC[C@@]2(CCN(CC[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000549840609 380612972 /nfs/dbraw/zinc/61/29/72/380612972.db2.gz LWQRTHDFQYKPSK-DLBZAZTESA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC[C@@]2(CCN(CC[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000549840609 380612975 /nfs/dbraw/zinc/61/29/75/380612975.db2.gz LWQRTHDFQYKPSK-DLBZAZTESA-N 2 1 279.472 2.279 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC000552865167 380715315 /nfs/dbraw/zinc/71/53/15/380715315.db2.gz DLLOECJUKCHBKR-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000552865167 380715318 /nfs/dbraw/zinc/71/53/18/380715318.db2.gz DLLOECJUKCHBKR-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000552865167 380715323 /nfs/dbraw/zinc/71/53/23/380715323.db2.gz DLLOECJUKCHBKR-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000554560966 380783085 /nfs/dbraw/zinc/78/30/85/380783085.db2.gz MJBZEPYKYFGJBK-KKUMJFAQSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000037221682 542279380 /nfs/dbraw/zinc/27/93/80/542279380.db2.gz BLLFNQRNJLRMJY-WBVHZDCISA-N 3 1 281.488 2.427 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCCC(C)(C)COC)CC1 ZINC000348324035 218574872 /nfs/dbraw/zinc/57/48/72/218574872.db2.gz KNTMWAUCGZFRGU-UHFFFAOYSA-N 2 1 286.460 2.140 20 0 CEADMP Cc1ccn2c(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cnc2c1 ZINC000334818835 207130626 /nfs/dbraw/zinc/13/06/26/207130626.db2.gz GLQBQBIFVOYMEQ-ZIAGYGMSSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1ccn2c(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cnc2c1 ZINC000334818835 207130630 /nfs/dbraw/zinc/13/06/30/207130630.db2.gz GLQBQBIFVOYMEQ-ZIAGYGMSSA-N 2 1 272.396 2.059 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cccc3c2NCC3)C[C@@H]1C[NH3+] ZINC000334822935 207139723 /nfs/dbraw/zinc/13/97/23/207139723.db2.gz ZDZSQPHPNIVXHZ-WFASDCNBSA-N 2 1 259.397 2.071 20 0 CEADMP Cc1ccn2c(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cnc2c1 ZINC000334818830 207131403 /nfs/dbraw/zinc/13/14/03/207131403.db2.gz GLQBQBIFVOYMEQ-KBPBESRZSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1ccn2c(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cnc2c1 ZINC000334818830 207131407 /nfs/dbraw/zinc/13/14/07/207131407.db2.gz GLQBQBIFVOYMEQ-KBPBESRZSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1occc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334860234 207202205 /nfs/dbraw/zinc/20/22/05/207202205.db2.gz SSCNIDVYYOFCGY-WMLDXEAASA-N 2 1 291.439 2.046 20 0 CEADMP Cc1occc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334860234 207202208 /nfs/dbraw/zinc/20/22/08/207202208.db2.gz SSCNIDVYYOFCGY-WMLDXEAASA-N 2 1 291.439 2.046 20 0 CEADMP Cc1cc(C)cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000335252215 208030769 /nfs/dbraw/zinc/03/07/69/208030769.db2.gz DPTAMTWFTCKMOR-KRWDZBQOSA-N 2 1 288.435 2.491 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(F)c2)CC12CCOCC2 ZINC000335252098 208032573 /nfs/dbraw/zinc/03/25/73/208032573.db2.gz IRQBZOZVRZFCEU-AWEZNQCLSA-N 2 1 278.371 2.013 20 0 CEADMP Cc1ccccc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000335253217 208033650 /nfs/dbraw/zinc/03/36/50/208033650.db2.gz ROIBNJKTJMWDTE-MRXNPFEDSA-N 2 1 274.408 2.182 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2)CC12CCOCC2 ZINC000335256343 208037332 /nfs/dbraw/zinc/03/73/32/208037332.db2.gz OCAIIRGRVJIAOG-ZDUSSCGKSA-N 2 1 296.361 2.152 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC12CCOCC2 ZINC000335256343 208037339 /nfs/dbraw/zinc/03/73/39/208037339.db2.gz OCAIIRGRVJIAOG-ZDUSSCGKSA-N 2 1 296.361 2.152 20 0 CEADMP CCc1cnc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000335270975 208071515 /nfs/dbraw/zinc/07/15/15/208071515.db2.gz WIASDMFVTLJQQJ-TXEJJXNPSA-N 2 1 265.426 2.137 20 0 CEADMP Cc1ncccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000335353670 208260715 /nfs/dbraw/zinc/26/07/15/208260715.db2.gz PSXFXBVRMFMNCI-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ncccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000335353670 208260722 /nfs/dbraw/zinc/26/07/22/208260722.db2.gz PSXFXBVRMFMNCI-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ncccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335353670 208260725 /nfs/dbraw/zinc/26/07/25/208260725.db2.gz PSXFXBVRMFMNCI-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ncccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335353670 208260730 /nfs/dbraw/zinc/26/07/30/208260730.db2.gz PSXFXBVRMFMNCI-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cnccc1CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000335367913 208293111 /nfs/dbraw/zinc/29/31/11/208293111.db2.gz ZUDAVHJIHGVGEN-QGZVFWFLSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1cnccc1CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335367913 208293117 /nfs/dbraw/zinc/29/31/17/208293117.db2.gz ZUDAVHJIHGVGEN-QGZVFWFLSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1cnccc1CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335367913 208293120 /nfs/dbraw/zinc/29/31/20/208293120.db2.gz ZUDAVHJIHGVGEN-QGZVFWFLSA-N 2 1 273.424 2.350 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C(C)C)C2CCCC2)CC1 ZINC000362470620 285187960 /nfs/dbraw/zinc/18/79/60/285187960.db2.gz WVAXPAMZQSRMLS-UHFFFAOYSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000281569030 195291931 /nfs/dbraw/zinc/29/19/31/195291931.db2.gz DUSGSZRANKLSFG-BHYGNILZSA-N 2 1 276.424 2.258 20 0 CEADMP CO[C@](C)([C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000414505024 533347147 /nfs/dbraw/zinc/34/71/47/533347147.db2.gz UCGPMKZMPPLHBX-IAQYHMDHSA-N 2 1 297.468 2.498 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccnc2ccccc12 ZINC000216073558 394450883 /nfs/dbraw/zinc/45/08/83/394450883.db2.gz LMKRYYWZSVNBLU-STQMWFEESA-N 2 1 255.365 2.404 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@@H+](CC[C@@H](C)F)CC2)CC1 ZINC000420975348 394461354 /nfs/dbraw/zinc/46/13/54/394461354.db2.gz FROSIBGVBWMMGL-OAHLLOKOSA-N 2 1 285.451 2.227 20 0 CEADMP CCCC[C@@H](C[NH3+])NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000236836828 394487765 /nfs/dbraw/zinc/48/77/65/394487765.db2.gz PLICVELQPLADMX-HOTGVXAUSA-N 2 1 291.439 2.313 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)NCC(C)(C)[NH3+])cc1)C(C)C ZINC000236923201 394490450 /nfs/dbraw/zinc/49/04/50/394490450.db2.gz MRNFRNDKDWGDPT-UHFFFAOYSA-N 2 1 291.439 2.384 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(CO)c1 ZINC000305624802 394507863 /nfs/dbraw/zinc/50/78/63/394507863.db2.gz BHGCSUXDXXMBQA-DZGCQCFKSA-N 2 1 262.397 2.171 20 0 CEADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000355706542 394509009 /nfs/dbraw/zinc/50/90/09/394509009.db2.gz UMUDMFNZOCDGJJ-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000305769700 394511767 /nfs/dbraw/zinc/51/17/67/394511767.db2.gz NDXWCUFNJGTWTM-FXUDXRNXSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)(C)[NH+]1CCC(N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000061983661 394569091 /nfs/dbraw/zinc/56/90/91/394569091.db2.gz XFFKQNSOODXJSJ-CQSZACIVSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000061983661 394569093 /nfs/dbraw/zinc/56/90/93/394569093.db2.gz XFFKQNSOODXJSJ-CQSZACIVSA-N 2 1 265.445 2.076 20 0 CEADMP Cc1cc(N2CCC[N@@H+](CCO)CC2)c2ccccc2[nH+]1 ZINC000071349585 394589340 /nfs/dbraw/zinc/58/93/40/394589340.db2.gz PJMOTAOSYMFTQU-UHFFFAOYSA-N 2 1 285.391 2.048 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2cccn2)CC[N@@H+]1C ZINC000246926847 394523605 /nfs/dbraw/zinc/52/36/05/394523605.db2.gz GHLOKCRZMXGSRB-LVQVYYBASA-N 2 1 276.428 2.439 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2cccn2)CC[N@H+]1C ZINC000246926847 394523607 /nfs/dbraw/zinc/52/36/07/394523607.db2.gz GHLOKCRZMXGSRB-LVQVYYBASA-N 2 1 276.428 2.439 20 0 CEADMP CC[C@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000247980612 394536428 /nfs/dbraw/zinc/53/64/28/394536428.db2.gz MKRVDCJOSVXLAQ-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP COC(=O)C1CCC([NH2+][C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000311725117 394538099 /nfs/dbraw/zinc/53/80/99/394538099.db2.gz PSGZIUOCHSLHII-IYXRBSQSSA-N 2 1 270.417 2.037 20 0 CEADMP COC(=O)C1CCC([NH2+][C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000311725117 394538101 /nfs/dbraw/zinc/53/81/01/394538101.db2.gz PSGZIUOCHSLHII-IYXRBSQSSA-N 2 1 270.417 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)C[C@@]1(C)C[NH3+] ZINC000311957987 394539140 /nfs/dbraw/zinc/53/91/40/394539140.db2.gz ISBWPQKCWSQOMV-MLGOLLRUSA-N 2 1 260.381 2.038 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248390348 394539536 /nfs/dbraw/zinc/53/95/36/394539536.db2.gz HZCIYJAODSEQCE-GMXVVIOVSA-N 2 1 294.361 2.152 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248390348 394539540 /nfs/dbraw/zinc/53/95/40/394539540.db2.gz HZCIYJAODSEQCE-GMXVVIOVSA-N 2 1 294.361 2.152 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC000248996663 394550908 /nfs/dbraw/zinc/55/09/08/394550908.db2.gz ZTUIAKXYKXNYDA-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC[C@H](C)O2)C1 ZINC000248996663 394550912 /nfs/dbraw/zinc/55/09/12/394550912.db2.gz ZTUIAKXYKXNYDA-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](C)O2)C1 ZINC000248996663 394550916 /nfs/dbraw/zinc/55/09/16/394550916.db2.gz ZTUIAKXYKXNYDA-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP N[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc21 ZINC000333886618 394655053 /nfs/dbraw/zinc/65/50/53/394655053.db2.gz XIMUGYJFJXGUCZ-HNKZQRQQSA-N 2 1 271.408 2.109 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000334198875 394662867 /nfs/dbraw/zinc/66/28/67/394662867.db2.gz MFHOUHZSJAQGCD-WMLDXEAASA-N 3 1 279.472 2.323 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000258979248 394599952 /nfs/dbraw/zinc/59/99/52/394599952.db2.gz LWZOQIGJBRVSBF-RYUDHWBXSA-N 2 1 269.186 2.419 20 0 CEADMP Cc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])c(-c2cnn(C)c2)c1 ZINC000262006534 394611285 /nfs/dbraw/zinc/61/12/85/394611285.db2.gz URQJPEHFYJIQIG-CYBMUJFWSA-N 2 1 272.396 2.175 20 0 CEADMP Cc1ccc(C[N@H+](C)[C@H](C)C[NH3+])c(-c2cnn(C)c2)c1 ZINC000262006534 394611286 /nfs/dbraw/zinc/61/12/86/394611286.db2.gz URQJPEHFYJIQIG-CYBMUJFWSA-N 2 1 272.396 2.175 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCOC2)C1 ZINC000356877123 394640077 /nfs/dbraw/zinc/64/00/77/394640077.db2.gz RYJXHNDHCDQKRB-RRFJBIMHSA-N 2 1 254.418 2.123 20 0 CEADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422724880 394740960 /nfs/dbraw/zinc/74/09/60/394740960.db2.gz WWTQZMNXBMRYIA-CZUORRHYSA-N 2 1 295.471 2.001 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000422724447 394741239 /nfs/dbraw/zinc/74/12/39/394741239.db2.gz VRSZOTGDLIXVNW-UONOGXRCSA-N 3 1 290.455 2.231 20 0 CEADMP COc1ccc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422730531 394745247 /nfs/dbraw/zinc/74/52/47/394745247.db2.gz MCPTZRBERHGOHN-GFCCVEGCSA-N 2 1 271.364 2.396 20 0 CEADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@H]1CC1(C)C ZINC000414085936 394698957 /nfs/dbraw/zinc/69/89/57/394698957.db2.gz ZAJGOEKRTIMMQL-HUUCEWRRSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000358017027 394707636 /nfs/dbraw/zinc/70/76/36/394707636.db2.gz NWFSFZIVMHPMJA-VYDXJSESSA-N 2 1 287.451 2.367 20 0 CEADMP C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1=CC[N@@H+](C)CC1 ZINC000358128567 394709826 /nfs/dbraw/zinc/70/98/26/394709826.db2.gz QKEWKXBGVQQVQU-GJZGRUSLSA-N 2 1 293.455 2.018 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000358182510 394711949 /nfs/dbraw/zinc/71/19/49/394711949.db2.gz CGEDRGNZCNCTII-UHOFOFEASA-N 2 1 280.387 2.443 20 0 CEADMP CC(C)C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccs1 ZINC000358227211 394712627 /nfs/dbraw/zinc/71/26/27/394712627.db2.gz AKZMSVIUZNGMKY-UKRRQHHQSA-N 2 1 282.453 2.492 20 0 CEADMP CC(C)C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccs1 ZINC000358227211 394712631 /nfs/dbraw/zinc/71/26/31/394712631.db2.gz AKZMSVIUZNGMKY-UKRRQHHQSA-N 2 1 282.453 2.492 20 0 CEADMP CCOc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422563878 394712906 /nfs/dbraw/zinc/71/29/06/394712906.db2.gz USBHKWJNKKRCFN-UHFFFAOYSA-N 2 1 260.381 2.413 20 0 CEADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358264175 394714748 /nfs/dbraw/zinc/71/47/48/394714748.db2.gz YOLBQEBBKGLBGP-RRFJBIMHSA-N 2 1 256.434 2.103 20 0 CEADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358264175 394714751 /nfs/dbraw/zinc/71/47/51/394714751.db2.gz YOLBQEBBKGLBGP-RRFJBIMHSA-N 2 1 256.434 2.103 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422735004 394747299 /nfs/dbraw/zinc/74/72/99/394747299.db2.gz UCYPIPFMYDLKTN-QXULXFAOSA-N 2 1 265.445 2.124 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]CC2CCCCC2)CC1(C)C ZINC000104140348 394717901 /nfs/dbraw/zinc/71/79/01/394717901.db2.gz NLFXPLBHWYDPCS-UHFFFAOYSA-N 2 1 267.461 2.182 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422635697 394722361 /nfs/dbraw/zinc/72/23/61/394722361.db2.gz LYUZDXKSRONAMO-YDHLFZDLSA-N 2 1 286.423 2.448 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@H]1C[NH2+]CC[C@H]1C ZINC000422736864 394748199 /nfs/dbraw/zinc/74/81/99/394748199.db2.gz HFLPHGINYHCBIB-OAGGEKHMSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CCC[NH+](C)C1 ZINC000414192928 394728196 /nfs/dbraw/zinc/72/81/96/394728196.db2.gz TZKGXZCZMUYBAM-FPCVCCKLSA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414192928 394728201 /nfs/dbraw/zinc/72/82/01/394728201.db2.gz TZKGXZCZMUYBAM-FPCVCCKLSA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414192928 394728205 /nfs/dbraw/zinc/72/82/05/394728205.db2.gz TZKGXZCZMUYBAM-FPCVCCKLSA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414192928 394728209 /nfs/dbraw/zinc/72/82/09/394728209.db2.gz TZKGXZCZMUYBAM-FPCVCCKLSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414192928 394728213 /nfs/dbraw/zinc/72/82/13/394728213.db2.gz TZKGXZCZMUYBAM-FPCVCCKLSA-N 2 1 267.461 2.037 20 0 CEADMP [NH3+]C[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)C1CC1 ZINC000414806253 394751874 /nfs/dbraw/zinc/75/18/74/394751874.db2.gz MSORFAFVDIPYJP-UONOGXRCSA-N 2 1 250.773 2.134 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](C)C2C[NH2+]C2)C1 ZINC000422741510 394752486 /nfs/dbraw/zinc/75/24/86/394752486.db2.gz OQJWNICMJGVIDR-JJRVBVJISA-N 2 1 273.424 2.019 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1 ZINC000422741510 394752490 /nfs/dbraw/zinc/75/24/90/394752490.db2.gz OQJWNICMJGVIDR-JJRVBVJISA-N 2 1 273.424 2.019 20 0 CEADMP c1nc([C@H]2CCCO2)sc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414824985 394755212 /nfs/dbraw/zinc/75/52/12/394755212.db2.gz GLGFGZFTFPFLAH-WCQYABFASA-N 2 1 281.425 2.084 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(COC)CCC2)[C@@H](C)C1 ZINC000361316868 394822243 /nfs/dbraw/zinc/82/22/43/394822243.db2.gz WLDYFQWXEDFIRB-GJZGRUSLSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(COC)CCC2)[C@@H](C)C1 ZINC000361316868 394822246 /nfs/dbraw/zinc/82/22/46/394822246.db2.gz WLDYFQWXEDFIRB-GJZGRUSLSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(COC)CCC2)[C@@H](C)C1 ZINC000361316868 394822247 /nfs/dbraw/zinc/82/22/47/394822247.db2.gz WLDYFQWXEDFIRB-GJZGRUSLSA-N 2 1 268.445 2.465 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+]CC[C@H]3CCC[NH2+]C3)CC[NH2+]2)cc1 ZINC000414835226 394761382 /nfs/dbraw/zinc/76/13/82/394761382.db2.gz ICCJZPQJOZYIOZ-NXHRZFHOSA-N 3 1 287.451 2.459 20 0 CEADMP Cc1ncsc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414836186 394762493 /nfs/dbraw/zinc/76/24/93/394762493.db2.gz IFVLMQRXZWFBTI-GFCCVEGCSA-N 2 1 253.415 2.449 20 0 CEADMP COc1cc(C)c(C[NH2+][C@H](C[NH3+])CC(C)C)cc1OC ZINC000414836717 394762573 /nfs/dbraw/zinc/76/25/73/394762573.db2.gz IXOUTGRXWHEJFL-AWEZNQCLSA-N 2 1 280.412 2.475 20 0 CEADMP Cc1cc(C)n(CCC[NH2+][C@@H](C)c2c[nH+]ccc2N)n1 ZINC000422757869 394762947 /nfs/dbraw/zinc/76/29/47/394762947.db2.gz NFGRUYMXHZHIAL-ZDUSSCGKSA-N 2 1 273.384 2.048 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1c[nH+]ccc1N ZINC000422761637 394765117 /nfs/dbraw/zinc/76/51/17/394765117.db2.gz RIDQRIVKTQIFLW-GFCCVEGCSA-N 2 1 299.374 2.159 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000414843494 394765789 /nfs/dbraw/zinc/76/57/89/394765789.db2.gz PYSLKQGBNZILSV-SNVBAGLBSA-N 2 1 278.425 2.218 20 0 CEADMP C[N@H+]1CC[C@@H](NC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000335453438 394767455 /nfs/dbraw/zinc/76/74/55/394767455.db2.gz UQDNFWSYJXGUDY-SJORKVTESA-N 2 1 273.424 2.164 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(CO)cc2)CC1 ZINC000272387572 394772680 /nfs/dbraw/zinc/77/26/80/394772680.db2.gz XDIPCIXOVMCQKJ-UHFFFAOYSA-N 2 1 276.424 2.485 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1(COC)CCC1 ZINC000361320179 394823346 /nfs/dbraw/zinc/82/33/46/394823346.db2.gz YRWWUQPXBSTWMA-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP C[NH2+]CCCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414859750 394774475 /nfs/dbraw/zinc/77/44/75/394774475.db2.gz NNKVALABFDKFMR-OKZBNKHCSA-N 2 1 287.451 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000414859750 394774481 /nfs/dbraw/zinc/77/44/81/394774481.db2.gz NNKVALABFDKFMR-OKZBNKHCSA-N 3 1 287.451 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414859750 394774487 /nfs/dbraw/zinc/77/44/87/394774487.db2.gz NNKVALABFDKFMR-OKZBNKHCSA-N 3 1 287.451 2.096 20 0 CEADMP [NH3+]CC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000335566394 394775913 /nfs/dbraw/zinc/77/59/13/394775913.db2.gz UBLWECYVONWINB-GFCCVEGCSA-N 2 1 269.186 2.375 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422776906 394776475 /nfs/dbraw/zinc/77/64/75/394776475.db2.gz FFIUNWPXZWGQQE-BRWVUGGUSA-N 3 1 290.455 2.482 20 0 CEADMP COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422779123 394778524 /nfs/dbraw/zinc/77/85/24/394778524.db2.gz BLEWJRDNIJFPNW-MJBXVCDLSA-N 2 1 278.396 2.193 20 0 CEADMP CCC[NH2+]CC[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000414868851 394780008 /nfs/dbraw/zinc/78/00/08/394780008.db2.gz KRTIBSAOHUGDFC-CYBMUJFWSA-N 2 1 280.412 2.311 20 0 CEADMP Fc1cccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000414870760 394780121 /nfs/dbraw/zinc/78/01/21/394780121.db2.gz CTGFBIPWQKNORJ-UHFFFAOYSA-N 2 1 273.355 2.490 20 0 CEADMP C[C@H]([NH2+]CCCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422782061 394780403 /nfs/dbraw/zinc/78/04/03/394780403.db2.gz MOTIRMRKQGHBGV-WFASDCNBSA-N 2 1 266.360 2.325 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414872093 394781083 /nfs/dbraw/zinc/78/10/83/394781083.db2.gz FFCSFHDQIMAWEQ-CQSZACIVSA-N 2 1 293.430 2.017 20 0 CEADMP C[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000422782642 394781993 /nfs/dbraw/zinc/78/19/93/394781993.db2.gz GTSVPJSHMBJWFO-YRGRVCCFSA-N 2 1 266.360 2.323 20 0 CEADMP C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422785969 394783858 /nfs/dbraw/zinc/78/38/58/394783858.db2.gz PWNKAXBJZNPSKH-UAGQMJEPSA-N 2 1 276.424 2.273 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C12CCC2 ZINC000422786527 394784789 /nfs/dbraw/zinc/78/47/89/394784789.db2.gz SKFVWFMPMLHRRP-CBBWQLFWSA-N 2 1 266.429 2.454 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1F ZINC000422787371 394785703 /nfs/dbraw/zinc/78/57/03/394785703.db2.gz QBJGFQJHDFMHHB-UWVGGRQHSA-N 2 1 252.333 2.093 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@H]([NH3+])C2CC2)C1 ZINC000414887241 394789614 /nfs/dbraw/zinc/78/96/14/394789614.db2.gz IAYMGRMAIGEZQG-XYPHTWIQSA-N 2 1 273.424 2.149 20 0 CEADMP C[C@@H](CC[NH3+])[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000414895327 394793558 /nfs/dbraw/zinc/79/35/58/394793558.db2.gz NAYIECYXLLKORY-QMMMGPOBSA-N 2 1 253.346 2.262 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1ccc(OCC(F)(F)F)cc1)C1CC1 ZINC000414896048 394793729 /nfs/dbraw/zinc/79/37/29/394793729.db2.gz NXSKYGNNDYSUEY-CYBMUJFWSA-N 2 1 288.313 2.455 20 0 CEADMP C[C@H](NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422800898 394796014 /nfs/dbraw/zinc/79/60/14/394796014.db2.gz DFGIUUMZDDERIQ-CFVMTHIKSA-N 2 1 281.469 2.471 20 0 CEADMP c1nc(-c2ccncc2)sc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414900615 394796065 /nfs/dbraw/zinc/79/60/65/394796065.db2.gz DSYAQFWYWDXAGN-CYBMUJFWSA-N 2 1 288.420 2.437 20 0 CEADMP C[C@H](NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422801227 394796605 /nfs/dbraw/zinc/79/66/05/394796605.db2.gz BKZOCBYIPMTQPC-YJBOKZPZSA-N 2 1 287.451 2.165 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414905853 394797479 /nfs/dbraw/zinc/79/74/79/394797479.db2.gz PAWMJCXOCVIAPL-INIZCTEOSA-N 2 1 278.444 2.024 20 0 CEADMP C[C@@H](NCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422803224 394797569 /nfs/dbraw/zinc/79/75/69/394797569.db2.gz IOCYNZCYYPPJMN-QAPCUYQASA-N 2 1 287.451 2.165 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+][C@H](c1nccn1C)c1ccccc1F ZINC000422806013 394799487 /nfs/dbraw/zinc/79/94/87/394799487.db2.gz HPGIGCDIBIFTFO-DOMZBBRYSA-N 2 1 290.386 2.366 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCCC[NH3+] ZINC000414914939 394801918 /nfs/dbraw/zinc/80/19/18/394801918.db2.gz YMWZWDTZOINTMO-UHFFFAOYSA-N 3 1 277.456 2.473 20 0 CEADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]CCCC[NH3+] ZINC000414914939 394801922 /nfs/dbraw/zinc/80/19/22/394801922.db2.gz YMWZWDTZOINTMO-UHFFFAOYSA-N 2 1 277.456 2.473 20 0 CEADMP CC[C@H](CN[C@@H]1CCC[C@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422810660 394803328 /nfs/dbraw/zinc/80/33/28/394803328.db2.gz SCTSSBWAESTVDC-KZNAEPCWSA-N 2 1 287.451 2.293 20 0 CEADMP CC[C@H](CN[C@@H]1CCC[C@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422810660 394803329 /nfs/dbraw/zinc/80/33/29/394803329.db2.gz SCTSSBWAESTVDC-KZNAEPCWSA-N 2 1 287.451 2.293 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H](CC(C)C)[NH+](C)C ZINC000422815482 394807036 /nfs/dbraw/zinc/80/70/36/394807036.db2.gz BWVJYODNWKOWLH-CJNGLKHVSA-N 2 1 292.471 2.476 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414940302 394813196 /nfs/dbraw/zinc/81/31/96/394813196.db2.gz XOBKZKWMAJNZIP-BBRMVZONSA-N 2 1 274.408 2.142 20 0 CEADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414943034 394814040 /nfs/dbraw/zinc/81/40/40/394814040.db2.gz KZBNGKOGFAARHE-STQMWFEESA-N 2 1 277.412 2.464 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414945207 394815408 /nfs/dbraw/zinc/81/54/08/394815408.db2.gz IBOMSTIHUWUQDY-CABCVRRESA-N 2 1 284.407 2.411 20 0 CEADMP N[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422827576 394816281 /nfs/dbraw/zinc/81/62/81/394816281.db2.gz NGHPKDHJDAIFNT-JKSUJKDBSA-N 2 1 293.480 2.430 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422830137 394816544 /nfs/dbraw/zinc/81/65/44/394816544.db2.gz IDDVBISFZHHYTB-BBWFWOEESA-N 2 1 273.424 2.120 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422830137 394816547 /nfs/dbraw/zinc/81/65/47/394816547.db2.gz IDDVBISFZHHYTB-BBWFWOEESA-N 2 1 273.424 2.120 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414945793 394817041 /nfs/dbraw/zinc/81/70/41/394817041.db2.gz SDYQQIHEFGXLIH-GXSJLCMTSA-N 2 1 284.306 2.096 20 0 CEADMP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414952533 394821418 /nfs/dbraw/zinc/82/14/18/394821418.db2.gz QWTNFFISEBAUNC-TZMCWYRMSA-N 2 1 278.396 2.324 20 0 CEADMP C([C@@H]1CCSC1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414779979 394750538 /nfs/dbraw/zinc/75/05/38/394750538.db2.gz KZRVABKDEHQARJ-IHRRRGAJSA-N 2 1 254.443 2.061 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ncc(Cl)n1C ZINC000281852243 394862474 /nfs/dbraw/zinc/86/24/74/394862474.db2.gz ZIWFYUIIIYDVHK-UHFFFAOYSA-N 2 1 281.791 2.148 20 0 CEADMP CCCCOc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415047240 394863022 /nfs/dbraw/zinc/86/30/22/394863022.db2.gz VWHBZIYTSUUNPX-QGZVFWFLSA-N 2 1 292.423 2.334 20 0 CEADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422920589 394863481 /nfs/dbraw/zinc/86/34/81/394863481.db2.gz NCRBRQFPNINBBK-XGUBFFRZSA-N 2 1 254.418 2.025 20 0 CEADMP CC(C)(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415051065 394864587 /nfs/dbraw/zinc/86/45/87/394864587.db2.gz ZJXBBPZYAXOCRM-INIZCTEOSA-N 2 1 276.424 2.452 20 0 CEADMP CC[C@H]([NH2+]CCOc1cccc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000422928720 394865120 /nfs/dbraw/zinc/86/51/20/394865120.db2.gz MGBMJMBCEACUEQ-HOTGVXAUSA-N 2 1 262.397 2.494 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000336702898 394871411 /nfs/dbraw/zinc/87/14/11/394871411.db2.gz IFIJYCVZIDNCAZ-GJZGRUSLSA-N 2 1 254.418 2.077 20 0 CEADMP C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCOC1)[C@H]1CCC[NH2+]1 ZINC000422985469 394873941 /nfs/dbraw/zinc/87/39/41/394873941.db2.gz DYJNOXCOETZXLY-QMCVQRASSA-N 2 1 274.408 2.494 20 0 CEADMP COc1ccc(OCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000129852652 394876059 /nfs/dbraw/zinc/87/60/59/394876059.db2.gz VHTTZLKCPKDYDP-KBPBESRZSA-N 2 1 278.396 2.146 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422993742 394877309 /nfs/dbraw/zinc/87/73/09/394877309.db2.gz GBRXJEOELZZRTR-SOUVJXGZSA-N 2 1 255.450 2.070 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422993742 394877312 /nfs/dbraw/zinc/87/73/12/394877312.db2.gz GBRXJEOELZZRTR-SOUVJXGZSA-N 3 1 255.450 2.070 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422993742 394877315 /nfs/dbraw/zinc/87/73/15/394877315.db2.gz GBRXJEOELZZRTR-SOUVJXGZSA-N 3 1 255.450 2.070 20 0 CEADMP CO[C@@]1(C)CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000336804143 394877282 /nfs/dbraw/zinc/87/72/82/394877282.db2.gz LDLYJZPPLMNLFL-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP CO[C@@]1(C)CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000336804143 394877286 /nfs/dbraw/zinc/87/72/86/394877286.db2.gz LDLYJZPPLMNLFL-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP C[C@H](O)C[C@H]1CCCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000336810779 394878271 /nfs/dbraw/zinc/87/82/71/394878271.db2.gz JIFFWZDKFVNLAQ-ARFHVFGLSA-N 2 1 268.445 2.486 20 0 CEADMP C[C@H](O)C[C@H]1CCCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000336810779 394878274 /nfs/dbraw/zinc/87/82/74/394878274.db2.gz JIFFWZDKFVNLAQ-ARFHVFGLSA-N 2 1 268.445 2.486 20 0 CEADMP C[C@H](O)C[C@H]1CCCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000336810779 394878279 /nfs/dbraw/zinc/87/82/79/394878279.db2.gz JIFFWZDKFVNLAQ-ARFHVFGLSA-N 2 1 268.445 2.486 20 0 CEADMP CC[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)[C@@H]1CCC[NH2+]1 ZINC000423013097 394882134 /nfs/dbraw/zinc/88/21/34/394882134.db2.gz MBHDJUCQGWOTJZ-CABCVRRESA-N 2 1 274.412 2.017 20 0 CEADMP Cn1nccc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000361405674 394826845 /nfs/dbraw/zinc/82/68/45/394826845.db2.gz RMPAGGMDWHWCKE-RDJZCZTQSA-N 2 1 284.407 2.203 20 0 CEADMP Cn1nccc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000361405674 394826848 /nfs/dbraw/zinc/82/68/48/394826848.db2.gz RMPAGGMDWHWCKE-RDJZCZTQSA-N 2 1 284.407 2.203 20 0 CEADMP CCCCN(CC)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361669740 394834382 /nfs/dbraw/zinc/83/43/82/394834382.db2.gz DKUQFVGTLJKXQT-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCN(CC)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361669740 394834384 /nfs/dbraw/zinc/83/43/84/394834384.db2.gz DKUQFVGTLJKXQT-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCN(CC)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000361669740 394834385 /nfs/dbraw/zinc/83/43/85/394834385.db2.gz DKUQFVGTLJKXQT-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCN(CC)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361669740 394834387 /nfs/dbraw/zinc/83/43/87/394834387.db2.gz DKUQFVGTLJKXQT-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1ccc(OCCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422863212 394836160 /nfs/dbraw/zinc/83/61/60/394836160.db2.gz RGPRMAQZSNHGQR-GOEBONIOSA-N 2 1 262.397 2.494 20 0 CEADMP C[C@@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422868747 394839378 /nfs/dbraw/zinc/83/93/78/394839378.db2.gz VUWNCASBNRUTJN-HZSPNIEDSA-N 2 1 276.428 2.265 20 0 CEADMP C[C@@H]([NH2+]Cc1csc(Br)c1)C1C[NH2+]C1 ZINC000422869235 394840436 /nfs/dbraw/zinc/84/04/36/394840436.db2.gz WZJSUIKSUVPXIG-SSDOTTSWSA-N 2 1 275.215 2.208 20 0 CEADMP CC[C@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422874224 394842355 /nfs/dbraw/zinc/84/23/55/394842355.db2.gz CHYLLJYCLRLAJS-YVSFHVDLSA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)[C@@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)[NH+](C)C ZINC000125230602 394842740 /nfs/dbraw/zinc/84/27/40/394842740.db2.gz KXYBSCNMKIJPQT-ZBFHGGJFSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@H](N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422873249 394842688 /nfs/dbraw/zinc/84/26/88/394842688.db2.gz KRFDVEOTPKCVGI-FZCLSBEQSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422873429 394842882 /nfs/dbraw/zinc/84/28/82/394842882.db2.gz AFSVUUNRNSYDLK-VQHPVUNQSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000422875217 394843454 /nfs/dbraw/zinc/84/34/54/394843454.db2.gz OOCUXAKIASVBOW-IDCJVQTKSA-N 2 1 287.451 2.017 20 0 CEADMP Cc1ccc([C@H](CN[C@@H]2CCC[C@H]2C[NH3+])[NH+]2CCCC2)o1 ZINC000422878221 394844600 /nfs/dbraw/zinc/84/46/00/394844600.db2.gz JNYMRQIKFMUUHH-XHSDSOJGSA-N 2 1 291.439 2.442 20 0 CEADMP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1ccon1)CC2)C1CC1 ZINC000362106813 394844873 /nfs/dbraw/zinc/84/48/73/394844873.db2.gz QRJTXFACGLYPDT-ZDUSSCGKSA-N 2 1 275.396 2.371 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1ccon1)CC2)C1CC1 ZINC000362106813 394844874 /nfs/dbraw/zinc/84/48/74/394844874.db2.gz QRJTXFACGLYPDT-ZDUSSCGKSA-N 2 1 275.396 2.371 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422877331 394844940 /nfs/dbraw/zinc/84/49/40/394844940.db2.gz HRCIVRUWLQVOFK-OAGGEKHMSA-N 3 1 267.461 2.371 20 0 CEADMP C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422877331 394844941 /nfs/dbraw/zinc/84/49/41/394844941.db2.gz HRCIVRUWLQVOFK-OAGGEKHMSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422877331 394844942 /nfs/dbraw/zinc/84/49/42/394844942.db2.gz HRCIVRUWLQVOFK-OAGGEKHMSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000415012592 394848515 /nfs/dbraw/zinc/84/85/15/394848515.db2.gz SUHUYPXFGOCRHE-BDAKNGLRSA-N 2 1 262.275 2.411 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000423025047 394883859 /nfs/dbraw/zinc/88/38/59/394883859.db2.gz NHHLILZZVVRWEA-WCQYABFASA-N 2 1 299.365 2.203 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000415014774 394849693 /nfs/dbraw/zinc/84/96/93/394849693.db2.gz XLRXUIOQHOCAQN-KGLIPLIRSA-N 2 1 285.391 2.486 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000422887802 394850917 /nfs/dbraw/zinc/85/09/17/394850917.db2.gz ZNVGPORJAYKLNZ-IAOVAPTHSA-N 2 1 288.439 2.126 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000422887802 394850919 /nfs/dbraw/zinc/85/09/19/394850919.db2.gz ZNVGPORJAYKLNZ-IAOVAPTHSA-N 2 1 288.439 2.126 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000422887804 394851273 /nfs/dbraw/zinc/85/12/73/394851273.db2.gz ZNVGPORJAYKLNZ-RRQGHBQHSA-N 2 1 288.439 2.126 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000422887804 394851278 /nfs/dbraw/zinc/85/12/78/394851278.db2.gz ZNVGPORJAYKLNZ-RRQGHBQHSA-N 2 1 288.439 2.126 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423025818 394883984 /nfs/dbraw/zinc/88/39/84/394883984.db2.gz ACBIBFORWMHDLC-XIRDDKMYSA-N 2 1 276.424 2.100 20 0 CEADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]2CCO[C@@H]21 ZINC000128096712 394853827 /nfs/dbraw/zinc/85/38/27/394853827.db2.gz NYHLEMWAMJSIFK-QMIVOQANSA-N 2 1 264.413 2.016 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CC[C@H]3CCCCO3)C2)C1 ZINC000336438913 394855500 /nfs/dbraw/zinc/85/55/00/394855500.db2.gz GHJYYDUWMXRCNJ-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CC[C@H]3CCCCO3)C2)C1 ZINC000336438913 394855503 /nfs/dbraw/zinc/85/55/03/394855503.db2.gz GHJYYDUWMXRCNJ-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC[C@H]3CCCCO3)C2)C1 ZINC000336438913 394855505 /nfs/dbraw/zinc/85/55/05/394855505.db2.gz GHJYYDUWMXRCNJ-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cncs1 ZINC000128981065 394856538 /nfs/dbraw/zinc/85/65/38/394856538.db2.gz PQEALVWCDPEPNW-GHMZBOCLSA-N 2 1 251.399 2.278 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cncs1 ZINC000128981065 394856540 /nfs/dbraw/zinc/85/65/40/394856540.db2.gz PQEALVWCDPEPNW-GHMZBOCLSA-N 2 1 251.399 2.278 20 0 CEADMP Clc1cc2cccnc2c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415036432 394857669 /nfs/dbraw/zinc/85/76/69/394857669.db2.gz LTWYKLKNVLYCJQ-NHAGDIPZSA-N 2 1 273.767 2.196 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)C1CCCC1 ZINC000415035661 394857715 /nfs/dbraw/zinc/85/77/15/394857715.db2.gz DZSXBHOWVZRSNA-QGZVFWFLSA-N 2 1 284.407 2.479 20 0 CEADMP CC[C@H](C[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000415105127 394891596 /nfs/dbraw/zinc/89/15/96/394891596.db2.gz HXTNMIZJWGWGAD-GDBMZVCRSA-N 2 1 262.397 2.230 20 0 CEADMP COc1ccsc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415120398 394896472 /nfs/dbraw/zinc/89/64/72/394896472.db2.gz FWOZLCNEJBAQKN-MNOVXSKESA-N 2 1 254.399 2.173 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423356335 394899439 /nfs/dbraw/zinc/89/94/39/394899439.db2.gz GNNDTYQTPOVLLJ-UBDQQSCGSA-N 2 1 287.451 2.410 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1C[NH3+] ZINC000415138929 394902252 /nfs/dbraw/zinc/90/22/52/394902252.db2.gz ZJBIXRYSQCNXQQ-HOCLYGCPSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@H]1C[NH3+] ZINC000415139422 394902809 /nfs/dbraw/zinc/90/28/09/394902809.db2.gz ZQNPSYHPAURZHQ-UKRRQHHQSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@H]1C[NH3+] ZINC000415139422 394902812 /nfs/dbraw/zinc/90/28/12/394902812.db2.gz ZQNPSYHPAURZHQ-UKRRQHHQSA-N 2 1 284.407 2.493 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCc3nn(C)cc32)CC1 ZINC000338008921 394903363 /nfs/dbraw/zinc/90/33/63/394903363.db2.gz CIZOXVWRTBTNPM-OAHLLOKOSA-N 2 1 276.428 2.262 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CCSCC1 ZINC000131166857 394904196 /nfs/dbraw/zinc/90/41/96/394904196.db2.gz QDHBQWNFCPMANV-DYEKYZERSA-N 2 1 256.459 2.448 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423371335 394904767 /nfs/dbraw/zinc/90/47/67/394904767.db2.gz VCTJAEZSSWAGFM-ILTLLKDXSA-N 2 1 282.428 2.086 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000364465078 394907334 /nfs/dbraw/zinc/90/73/34/394907334.db2.gz ZUBBPDJNHIBAMQ-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423385646 394909322 /nfs/dbraw/zinc/90/93/22/394909322.db2.gz GUKFZHWANFQSAB-HPBDAGMYSA-N 2 1 287.451 2.366 20 0 CEADMP COC[C@]1(C[NH2+][C@H]2c3ccccc3C[C@@H]2C)CCC[NH2+]1 ZINC000423427816 394920107 /nfs/dbraw/zinc/92/01/07/394920107.db2.gz NVCSBEXQPYMDTD-IAOVAPTHSA-N 2 1 274.408 2.278 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccsc1 ZINC000423492608 394935340 /nfs/dbraw/zinc/93/53/40/394935340.db2.gz NWQGKUKCNCUQOO-STQMWFEESA-N 2 1 254.399 2.167 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc(C)c1F ZINC000423509177 394941606 /nfs/dbraw/zinc/94/16/06/394941606.db2.gz IVEXKTSFIPPNOF-DZGCQCFKSA-N 2 1 280.387 2.472 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCC2 ZINC000423522907 394943756 /nfs/dbraw/zinc/94/37/56/394943756.db2.gz RXMXUMRZBKBKOU-NVXWUHKLSA-N 2 1 290.407 2.041 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340361064 394984070 /nfs/dbraw/zinc/98/40/70/394984070.db2.gz YZGNKHUBSAPZKE-BZUAXINKSA-N 2 1 262.397 2.182 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340361064 394984072 /nfs/dbraw/zinc/98/40/72/394984072.db2.gz YZGNKHUBSAPZKE-BZUAXINKSA-N 2 1 262.397 2.182 20 0 CEADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000152076084 394986223 /nfs/dbraw/zinc/98/62/23/394986223.db2.gz CGPQIWGYVCJUIN-MISXGVKJSA-N 2 1 265.401 2.295 20 0 CEADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152076084 394986226 /nfs/dbraw/zinc/98/62/26/394986226.db2.gz CGPQIWGYVCJUIN-MISXGVKJSA-N 2 1 265.401 2.295 20 0 CEADMP CC(C)OCC[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285883065 394977849 /nfs/dbraw/zinc/97/78/49/394977849.db2.gz ZPSBIHRYIGXOIW-UHFFFAOYSA-N 2 1 268.401 2.458 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000423764302 394979880 /nfs/dbraw/zinc/97/98/80/394979880.db2.gz SMYQTXLXVQYIQU-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C)CC12CCCCC2 ZINC000162114786 395070200 /nfs/dbraw/zinc/07/02/00/395070200.db2.gz FAGYICUTHSWYAS-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP C[NH+]1CCC[C@H]1CCN1CC[N@H+](C)CC12CCCCC2 ZINC000162114786 395070206 /nfs/dbraw/zinc/07/02/06/395070206.db2.gz FAGYICUTHSWYAS-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP C[NH+]1CCC[C@H]1CCN1CC[N@@H+](C)CC12CCCCC2 ZINC000162114786 395070211 /nfs/dbraw/zinc/07/02/11/395070211.db2.gz FAGYICUTHSWYAS-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000162240467 395071533 /nfs/dbraw/zinc/07/15/33/395071533.db2.gz MPKAGWXDBYWYNW-DZGCQCFKSA-N 2 1 286.423 2.275 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000345723485 395074406 /nfs/dbraw/zinc/07/44/06/395074406.db2.gz QJZVCBQKXBYUOL-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000426788984 395079215 /nfs/dbraw/zinc/07/92/15/395079215.db2.gz QRCIWMDJQGYCLK-GJZGRUSLSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000426788984 395079219 /nfs/dbraw/zinc/07/92/19/395079219.db2.gz QRCIWMDJQGYCLK-GJZGRUSLSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000426788984 395079221 /nfs/dbraw/zinc/07/92/21/395079221.db2.gz QRCIWMDJQGYCLK-GJZGRUSLSA-N 2 1 283.460 2.096 20 0 CEADMP CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000376957467 395131891 /nfs/dbraw/zinc/13/18/91/395131891.db2.gz KHRBVVAYHOUHTQ-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000376738587 395128204 /nfs/dbraw/zinc/12/82/04/395128204.db2.gz FUKZWBRDLRSULL-SOUVJXGZSA-N 2 1 277.412 2.240 20 0 CEADMP CCCN(CCC[NH+](C)C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000347911297 395131466 /nfs/dbraw/zinc/13/14/66/395131466.db2.gz JUAMVDYBRNWTSG-GASCZTMLSA-N 2 1 283.460 2.050 20 0 CEADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000346860163 395110742 /nfs/dbraw/zinc/11/07/42/395110742.db2.gz IVEFWECWCBQROF-YJNKXOJESA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2COc3cccc(F)c32)CC[N@H+]1C ZINC000378630970 395157853 /nfs/dbraw/zinc/15/78/53/395157853.db2.gz IWISCLYRNCQGFH-WZRBSPASSA-N 2 1 264.344 2.332 20 0 CEADMP C([C@@H]1CCC2(CCCC2)O1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000382228930 395180641 /nfs/dbraw/zinc/18/06/41/395180641.db2.gz XXPUKMZSQVBQJS-LSDHHAIUSA-N 2 1 264.413 2.164 20 0 CEADMP CCn1cncc1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000418012626 395168103 /nfs/dbraw/zinc/16/81/03/395168103.db2.gz WABLPMKCKWNNOQ-CQSZACIVSA-N 2 1 264.417 2.257 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[NH2+]1 ZINC000398232037 395231384 /nfs/dbraw/zinc/23/13/84/395231384.db2.gz XDIHJFHQNPEGPL-BPQIPLTHSA-N 2 1 287.451 2.239 20 0 CEADMP CO[C@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000182102505 395232877 /nfs/dbraw/zinc/23/28/77/395232877.db2.gz OGJDMXSLWVGCIC-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP CN(C[C@H]1CC[NH2+]C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382762043 395183886 /nfs/dbraw/zinc/18/38/86/395183886.db2.gz KWQJTNVUDXZOLB-ROUUACIJSA-N 2 1 287.451 2.050 20 0 CEADMP C[NH+](C)CCC1CCN(Cc2n[nH]c(C(C)(C)C)n2)CC1 ZINC000432935212 395186921 /nfs/dbraw/zinc/18/69/21/395186921.db2.gz CBEGICXAFBMZNR-UHFFFAOYSA-N 2 1 293.459 2.266 20 0 CEADMP CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000433149075 395204019 /nfs/dbraw/zinc/20/40/19/395204019.db2.gz COZUHQJYJUYLBB-ZDUSSCGKSA-N 2 1 295.452 2.024 20 0 CEADMP CC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000433149075 395204025 /nfs/dbraw/zinc/20/40/25/395204025.db2.gz COZUHQJYJUYLBB-ZDUSSCGKSA-N 2 1 295.452 2.024 20 0 CEADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394635091 395207359 /nfs/dbraw/zinc/20/73/59/395207359.db2.gz SDCFCHPVULMFHN-MRXNPFEDSA-N 2 1 295.471 2.134 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000519702752 395211043 /nfs/dbraw/zinc/21/10/43/395211043.db2.gz DHMDTNNUDLFZQL-GXSJLCMTSA-N 2 1 251.399 2.190 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000519702752 395211044 /nfs/dbraw/zinc/21/10/44/395211044.db2.gz DHMDTNNUDLFZQL-GXSJLCMTSA-N 2 1 251.399 2.190 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)sn1 ZINC000404453058 395284421 /nfs/dbraw/zinc/28/44/21/395284421.db2.gz HRDXHLXXBPYCSV-GFCCVEGCSA-N 2 1 253.415 2.271 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)sn1 ZINC000404453058 395284423 /nfs/dbraw/zinc/28/44/23/395284423.db2.gz HRDXHLXXBPYCSV-GFCCVEGCSA-N 2 1 253.415 2.271 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000353055111 395286819 /nfs/dbraw/zinc/28/68/19/395286819.db2.gz CLEIIWXWGZVZRY-CEXWTWQISA-N 2 1 299.462 2.254 20 0 CEADMP [NH3+]CCC[N@@H+](CC[C@H]1CCCO1)CC1CCCC1 ZINC000420324089 395325721 /nfs/dbraw/zinc/32/57/21/395325721.db2.gz YYAXSDLPMXMBQB-OAHLLOKOSA-N 2 1 254.418 2.397 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000186738694 395294569 /nfs/dbraw/zinc/29/45/69/395294569.db2.gz HKXRTTIKYXPNNO-JYJNAYRXSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000353483413 395298275 /nfs/dbraw/zinc/29/82/75/395298275.db2.gz WRBZEITZDDQWBM-MTSZKFMLSA-N 2 1 282.472 2.303 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000420294360 395300657 /nfs/dbraw/zinc/30/06/57/395300657.db2.gz SNVDJQWILBIUAD-QWRGUYRKSA-N 2 1 282.409 2.094 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000420294360 395300661 /nfs/dbraw/zinc/30/06/61/395300661.db2.gz SNVDJQWILBIUAD-QWRGUYRKSA-N 2 1 282.409 2.094 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420295313 395300836 /nfs/dbraw/zinc/30/08/36/395300836.db2.gz CEJNPCZOTMVIQW-FZCLSBEQSA-N 2 1 290.451 2.428 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420295313 395300840 /nfs/dbraw/zinc/30/08/40/395300840.db2.gz CEJNPCZOTMVIQW-FZCLSBEQSA-N 2 1 290.451 2.428 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420295313 395300844 /nfs/dbraw/zinc/30/08/44/395300844.db2.gz CEJNPCZOTMVIQW-FZCLSBEQSA-N 2 1 290.451 2.428 20 0 CEADMP CSC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC[NH+](C)CC1 ZINC000353612177 395303673 /nfs/dbraw/zinc/30/36/73/395303673.db2.gz QYWPVQPLNGHQJT-SOUVJXGZSA-N 3 1 299.528 2.132 20 0 CEADMP CSC1(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)CC[NH+](C)CC1 ZINC000353612177 395303676 /nfs/dbraw/zinc/30/36/76/395303676.db2.gz QYWPVQPLNGHQJT-SOUVJXGZSA-N 2 1 299.528 2.132 20 0 CEADMP C[C@@H]([NH3+])C[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000420303606 395307476 /nfs/dbraw/zinc/30/74/76/395307476.db2.gz KUIHZURINOZIFN-LLVKDONJSA-N 2 1 256.777 2.388 20 0 CEADMP C[C@@H]([NH3+])C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000420303606 395307482 /nfs/dbraw/zinc/30/74/82/395307482.db2.gz KUIHZURINOZIFN-LLVKDONJSA-N 2 1 256.777 2.388 20 0 CEADMP OCC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000420304384 395309175 /nfs/dbraw/zinc/30/91/75/395309175.db2.gz OJGCKUYQHHAYEZ-CRAIPNDOSA-N 2 1 288.435 2.358 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@H]21 ZINC000420304044 395309296 /nfs/dbraw/zinc/30/92/96/395309296.db2.gz IJPNIWVMMLCFKW-KBUPBQIOSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000420305909 395310735 /nfs/dbraw/zinc/31/07/35/395310735.db2.gz QDETYEMQXMAJDO-RHSMWYFYSA-N 2 1 291.414 2.114 20 0 CEADMP COC(=O)c1ccc(F)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000420305622 395311231 /nfs/dbraw/zinc/31/12/31/395311231.db2.gz GTIURVPZNWOPQE-GFCCVEGCSA-N 2 1 294.370 2.173 20 0 CEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](F)CC)[C@@H](C)C1 ZINC000440539749 395326892 /nfs/dbraw/zinc/32/68/92/395326892.db2.gz VHUVUQHRKNWRTL-KKUMJFAQSA-N 2 1 274.424 2.461 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](F)CC)[C@@H](C)C1 ZINC000440539749 395326897 /nfs/dbraw/zinc/32/68/97/395326897.db2.gz VHUVUQHRKNWRTL-KKUMJFAQSA-N 2 1 274.424 2.461 20 0 CEADMP COCCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000420306400 395311496 /nfs/dbraw/zinc/31/14/96/395311496.db2.gz HIAJZWJZHNFTQW-ZDUSSCGKSA-N 2 1 295.452 2.124 20 0 CEADMP COCCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000420306400 395311498 /nfs/dbraw/zinc/31/14/98/395311498.db2.gz HIAJZWJZHNFTQW-ZDUSSCGKSA-N 2 1 295.452 2.124 20 0 CEADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353986754 395312711 /nfs/dbraw/zinc/31/27/11/395312711.db2.gz LAFKOEUIDPEDRG-IBEHDNSVSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@H]1CC[C@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420309070 395313176 /nfs/dbraw/zinc/31/31/76/395313176.db2.gz SWIFILJMOGWCPD-OTRWWLKZSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@H]1CC[C@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420309070 395313179 /nfs/dbraw/zinc/31/31/79/395313179.db2.gz SWIFILJMOGWCPD-OTRWWLKZSA-N 2 1 276.424 2.038 20 0 CEADMP C(C[NH+]1CCN(CC2CCCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000420310001 395314131 /nfs/dbraw/zinc/31/41/31/395314131.db2.gz URCAEXMXDZLHGL-INIZCTEOSA-N 2 1 279.472 2.184 20 0 CEADMP COC1CCC([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420310005 395314510 /nfs/dbraw/zinc/31/45/10/395314510.db2.gz URNGKRVDOAVQDC-NFOMZHRRSA-N 2 1 254.418 2.266 20 0 CEADMP C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000420312030 395316196 /nfs/dbraw/zinc/31/61/96/395316196.db2.gz HPIWIOBYSOCBFY-SJORKVTESA-N 3 1 279.472 2.326 20 0 CEADMP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC[C@@H]1c1ccccc1 ZINC000420312783 395316506 /nfs/dbraw/zinc/31/65/06/395316506.db2.gz XGRWEHXOTNJEQM-WMZOPIPTSA-N 2 1 287.451 2.017 20 0 CEADMP c1n[nH]cc1[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420314273 395318587 /nfs/dbraw/zinc/31/85/87/395318587.db2.gz JVJRVSZKPNTRIS-HIFRSBDPSA-N 2 1 262.401 2.326 20 0 CEADMP FCCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000420316499 395320141 /nfs/dbraw/zinc/32/01/41/395320141.db2.gz SVEWCIYVKNGXSB-LBPRGKRZSA-N 2 1 283.416 2.447 20 0 CEADMP FCCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000420316499 395320143 /nfs/dbraw/zinc/32/01/43/395320143.db2.gz SVEWCIYVKNGXSB-LBPRGKRZSA-N 2 1 283.416 2.447 20 0 CEADMP CC[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1Cl ZINC000420317699 395320254 /nfs/dbraw/zinc/32/02/54/395320254.db2.gz NTHOSCVDWGUOJF-UHFFFAOYSA-N 2 1 281.831 2.067 20 0 CEADMP Cc1ncsc1C[N@H+](CCCF)C[C@@H]1CC[NH2+]C1 ZINC000420319225 395322205 /nfs/dbraw/zinc/32/22/05/395322205.db2.gz XNTDXJVEZLZWNE-GFCCVEGCSA-N 2 1 271.405 2.223 20 0 CEADMP Cc1ncsc1C[N@@H+](CCCF)C[C@@H]1CC[NH2+]C1 ZINC000420319225 395322211 /nfs/dbraw/zinc/32/22/11/395322211.db2.gz XNTDXJVEZLZWNE-GFCCVEGCSA-N 2 1 271.405 2.223 20 0 CEADMP CO[C@@H](CC(C)C)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000419319795 395257806 /nfs/dbraw/zinc/25/78/06/395257806.db2.gz ZWGKXBYPKYRGLX-GJZGRUSLSA-N 2 1 256.434 2.464 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2CC[NH3+])CCO1 ZINC000352533841 395261481 /nfs/dbraw/zinc/26/14/81/395261481.db2.gz ADETYUVDIHRALH-QLFBSQMISA-N 2 1 254.418 2.395 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CO1 ZINC000401826781 395263355 /nfs/dbraw/zinc/26/33/55/395263355.db2.gz MGLYKWYITVYAOD-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP CCc1cccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420320328 395323594 /nfs/dbraw/zinc/32/35/94/395323594.db2.gz BILCROUKBPKAFL-QGZVFWFLSA-N 2 1 288.435 2.436 20 0 CEADMP CC[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc(Cl)c1 ZINC000420321800 395323751 /nfs/dbraw/zinc/32/37/51/395323751.db2.gz RVYQMQGSQIFRQL-UHFFFAOYSA-N 2 1 281.831 2.067 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2ccccn2)CC1 ZINC000183841258 395265435 /nfs/dbraw/zinc/26/54/35/395265435.db2.gz UYFAMRNETFMLQU-MRXNPFEDSA-N 2 1 288.439 2.078 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183841258 395265438 /nfs/dbraw/zinc/26/54/38/395265438.db2.gz UYFAMRNETFMLQU-MRXNPFEDSA-N 2 1 288.439 2.078 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183841258 395265443 /nfs/dbraw/zinc/26/54/43/395265443.db2.gz UYFAMRNETFMLQU-MRXNPFEDSA-N 2 1 288.439 2.078 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CCCO1 ZINC000439479020 395268255 /nfs/dbraw/zinc/26/82/55/395268255.db2.gz POACTWGLOZHKQC-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC000439479020 395268262 /nfs/dbraw/zinc/26/82/62/395268262.db2.gz POACTWGLOZHKQC-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CCCO1 ZINC000439479020 395268266 /nfs/dbraw/zinc/26/82/66/395268266.db2.gz POACTWGLOZHKQC-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CCN(C[C@H](C)[NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000420320783 395323984 /nfs/dbraw/zinc/32/39/84/395323984.db2.gz QGZYITCPZIAPMT-ZOBUZTSGSA-N 2 1 275.440 2.491 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2cccnc2)cc1 ZINC000420368381 395355761 /nfs/dbraw/zinc/35/57/61/395355761.db2.gz WTUIIVIAAYOSRQ-INIZCTEOSA-N 2 1 285.391 2.265 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2cccnc2)cc1 ZINC000420368381 395355764 /nfs/dbraw/zinc/35/57/64/395355764.db2.gz WTUIIVIAAYOSRQ-INIZCTEOSA-N 2 1 285.391 2.265 20 0 CEADMP C[C@H](C[NH2+]Cc1cc(C(F)(F)F)n[nH]1)C[NH+]1CCCC1 ZINC000440807903 395358845 /nfs/dbraw/zinc/35/88/45/395358845.db2.gz IYVPDPDENUXANO-SNVBAGLBSA-N 2 1 290.333 2.250 20 0 CEADMP COc1ccc(OCC[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420372658 395359276 /nfs/dbraw/zinc/35/92/76/395359276.db2.gz QIBDVAVPPVCRBW-HEHGZKQESA-N 2 1 278.396 2.050 20 0 CEADMP Cc1cc(C2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)n[nH]1 ZINC000420375043 395360335 /nfs/dbraw/zinc/36/03/35/395360335.db2.gz OSXAYWSMYWDNNI-CQSZACIVSA-N 2 1 276.428 2.287 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(c2ccncn2)CC1 ZINC000298538143 395362593 /nfs/dbraw/zinc/36/25/93/395362593.db2.gz XERKNMHQKXQSBU-UHFFFAOYSA-N 2 1 276.428 2.388 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000420379429 395363821 /nfs/dbraw/zinc/36/38/21/395363821.db2.gz QYTTYNAEYLZPIU-DOTOQJQBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000420379429 395363825 /nfs/dbraw/zinc/36/38/25/395363825.db2.gz QYTTYNAEYLZPIU-DOTOQJQBSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCOCCOc1ccccc1 ZINC000420377768 395363903 /nfs/dbraw/zinc/36/39/03/395363903.db2.gz WOOHUFYFVHXHRF-VYDXJSESSA-N 2 1 292.423 2.058 20 0 CEADMP c1csc(C[N@H+](CC2CC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435431848 395366815 /nfs/dbraw/zinc/36/68/15/395366815.db2.gz GHNSMKGXWSOMNP-ZDUSSCGKSA-N 2 1 277.437 2.497 20 0 CEADMP CC(C)COCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420393114 395367771 /nfs/dbraw/zinc/36/77/71/395367771.db2.gz JNJUXKRSQTWTRG-HUUCEWRRSA-N 2 1 254.418 2.123 20 0 CEADMP COCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420393936 395369356 /nfs/dbraw/zinc/36/93/56/395369356.db2.gz KFGFAGMFNKCDMO-HUUCEWRRSA-N 2 1 254.418 2.267 20 0 CEADMP Cc1ccoc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000355213794 395369485 /nfs/dbraw/zinc/36/94/85/395369485.db2.gz RMUPIOGCCGWZPG-RRFJBIMHSA-N 2 1 278.396 2.272 20 0 CEADMP Cc1ccoc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000355213794 395369488 /nfs/dbraw/zinc/36/94/88/395369488.db2.gz RMUPIOGCCGWZPG-RRFJBIMHSA-N 2 1 278.396 2.272 20 0 CEADMP c1cncc(CC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420402465 395370440 /nfs/dbraw/zinc/37/04/40/395370440.db2.gz QKXHJEMDIRUNRE-CVEARBPZSA-N 2 1 259.397 2.088 20 0 CEADMP CCCN(CCC)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420413059 395374454 /nfs/dbraw/zinc/37/44/54/395374454.db2.gz ZMHNJRBPPHKMLW-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420413059 395374459 /nfs/dbraw/zinc/37/44/59/395374459.db2.gz ZMHNJRBPPHKMLW-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP COC(=O)C1CCC([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000192437883 395382872 /nfs/dbraw/zinc/38/28/72/395382872.db2.gz MCLKXKHLEDTIPZ-UHFFFAOYSA-N 2 1 284.444 2.427 20 0 CEADMP C[C@H]1COCC[C@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000192461735 395384214 /nfs/dbraw/zinc/38/42/14/395384214.db2.gz MWKXZANABBOZQL-MAUKXSAKSA-N 2 1 288.435 2.449 20 0 CEADMP C[C@H]1COCC[C@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000192461735 395384215 /nfs/dbraw/zinc/38/42/15/395384215.db2.gz MWKXZANABBOZQL-MAUKXSAKSA-N 2 1 288.435 2.449 20 0 CEADMP C[NH2+]CCC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000435879675 395394143 /nfs/dbraw/zinc/39/41/43/395394143.db2.gz DUPRJRKSJNUUAC-MRXNPFEDSA-N 2 1 262.397 2.277 20 0 CEADMP C[NH2+]CCC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000435879675 395394145 /nfs/dbraw/zinc/39/41/45/395394145.db2.gz DUPRJRKSJNUUAC-MRXNPFEDSA-N 2 1 262.397 2.277 20 0 CEADMP C[NH2+]CCCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000435883754 395394533 /nfs/dbraw/zinc/39/45/33/395394533.db2.gz MSJJOJOWIBIONL-JKSUJKDBSA-N 2 1 267.461 2.182 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442782536 395394852 /nfs/dbraw/zinc/39/48/52/395394852.db2.gz OHDNIZUZCCXEKK-YDHLFZDLSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442782536 395394855 /nfs/dbraw/zinc/39/48/55/395394855.db2.gz OHDNIZUZCCXEKK-YDHLFZDLSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1ccc([C@H]2CNCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420324132 395327865 /nfs/dbraw/zinc/32/78/65/395327865.db2.gz ZGDLXSLHRWIDDG-FUHWJXTLSA-N 2 1 287.451 2.195 20 0 CEADMP CCc1ccc([C@H]2C[NH2+]CCN2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420324132 395327868 /nfs/dbraw/zinc/32/78/68/395327868.db2.gz ZGDLXSLHRWIDDG-FUHWJXTLSA-N 2 1 287.451 2.195 20 0 CEADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420326820 395329304 /nfs/dbraw/zinc/32/93/04/395329304.db2.gz XSIPSSQJITWUJG-DLBZAZTESA-N 3 1 279.472 2.184 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327595 395329837 /nfs/dbraw/zinc/32/98/37/395329837.db2.gz LOAJIGGLCUIRCP-HOTGVXAUSA-N 2 1 296.455 2.431 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334251 395332411 /nfs/dbraw/zinc/33/24/11/395332411.db2.gz UBHVOYFCBWKCQF-MRVWCRGKSA-N 2 1 290.411 2.330 20 0 CEADMP CC(C)(C)c1noc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420336137 395335089 /nfs/dbraw/zinc/33/50/89/395335089.db2.gz VKZBPSDVFUCKTI-STQMWFEESA-N 2 1 292.427 2.189 20 0 CEADMP CC(C)(C)c1noc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420336137 395335093 /nfs/dbraw/zinc/33/50/93/395335093.db2.gz VKZBPSDVFUCKTI-STQMWFEESA-N 2 1 292.427 2.189 20 0 CEADMP c1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420343798 395338209 /nfs/dbraw/zinc/33/82/09/395338209.db2.gz RIGUKQCUBJRNSW-JKSUJKDBSA-N 2 1 274.408 2.387 20 0 CEADMP C(C[NH+]1CCN(C2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000420352335 395341011 /nfs/dbraw/zinc/34/10/11/395341011.db2.gz AEZKEZPJKIMYFI-INIZCTEOSA-N 2 1 279.472 2.326 20 0 CEADMP COc1cccc2c1CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000420354204 395343175 /nfs/dbraw/zinc/34/31/75/395343175.db2.gz CMPAAJCIFXQNTR-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000420363153 395349506 /nfs/dbraw/zinc/34/95/06/395349506.db2.gz BGKLGUKSBPTJDF-QGZVFWFLSA-N 2 1 296.455 2.287 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420362811 395349996 /nfs/dbraw/zinc/34/99/96/395349996.db2.gz IWDKMPVUDXKNRL-DVOMOZLQSA-N 2 1 262.397 2.214 20 0 CEADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420364409 395352219 /nfs/dbraw/zinc/35/22/19/395352219.db2.gz CVOWDVZGDFFPBP-DLBZAZTESA-N 2 1 276.424 2.176 20 0 CEADMP O[C@H](C[NH+]1CC[C@H]2CCC[C@H]21)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000447269048 395504797 /nfs/dbraw/zinc/50/47/97/395504797.db2.gz YRFSFRYVSHKQJX-XABIJQAGSA-N 2 1 278.440 2.096 20 0 CEADMP O[C@@H](C[NH+]1CC[C@@H]2CCC[C@@H]21)C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000447269048 395504800 /nfs/dbraw/zinc/50/48/00/395504800.db2.gz YRFSFRYVSHKQJX-XABIJQAGSA-N 2 1 278.440 2.096 20 0 CEADMP O[C@@H](C[NH+]1CC[C@@H]2CCC[C@@H]21)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000447269048 395504804 /nfs/dbraw/zinc/50/48/04/395504804.db2.gz YRFSFRYVSHKQJX-XABIJQAGSA-N 2 1 278.440 2.096 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000566219498 395506476 /nfs/dbraw/zinc/50/64/76/395506476.db2.gz DJNQCEWGZOXEPX-HZSPNIEDSA-N 2 1 292.448 2.470 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000566230140 395507212 /nfs/dbraw/zinc/50/72/12/395507212.db2.gz LABXYOCYEKSGGH-QGZVFWFLSA-N 2 1 273.424 2.398 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1[NH+](C)CCCC1(C)C ZINC000448021636 395507346 /nfs/dbraw/zinc/50/73/46/395507346.db2.gz JSJATGCUEBGWLB-RBSFLKMASA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448021636 395507348 /nfs/dbraw/zinc/50/73/48/395507348.db2.gz JSJATGCUEBGWLB-RBSFLKMASA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448021636 395507350 /nfs/dbraw/zinc/50/73/50/395507350.db2.gz JSJATGCUEBGWLB-RBSFLKMASA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000448021636 395507351 /nfs/dbraw/zinc/50/73/51/395507351.db2.gz JSJATGCUEBGWLB-RBSFLKMASA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000448021636 395507353 /nfs/dbraw/zinc/50/73/53/395507353.db2.gz JSJATGCUEBGWLB-RBSFLKMASA-N 2 1 267.461 2.037 20 0 CEADMP CC[C@H]1[C@@H](CO)CC[N@H+]1CCCCn1ccnc1C ZINC000448549449 395514574 /nfs/dbraw/zinc/51/45/74/395514574.db2.gz WLBWVJYVERODNQ-CABCVRRESA-N 2 1 265.401 2.065 20 0 CEADMP CC[C@H]1[C@@H](CO)CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000448549449 395514575 /nfs/dbraw/zinc/51/45/75/395514575.db2.gz WLBWVJYVERODNQ-CABCVRRESA-N 2 1 265.401 2.065 20 0 CEADMP CC[C@H]1[C@@H](CO)CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000448549449 395514576 /nfs/dbraw/zinc/51/45/76/395514576.db2.gz WLBWVJYVERODNQ-CABCVRRESA-N 2 1 265.401 2.065 20 0 CEADMP CC[C@H]1[C@H](CO)CC[N@H+]1CCCCn1ccnc1C ZINC000448549450 395514593 /nfs/dbraw/zinc/51/45/93/395514593.db2.gz WLBWVJYVERODNQ-GJZGRUSLSA-N 2 1 265.401 2.065 20 0 CEADMP CC[C@H]1[C@H](CO)CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000448549450 395514595 /nfs/dbraw/zinc/51/45/95/395514595.db2.gz WLBWVJYVERODNQ-GJZGRUSLSA-N 2 1 265.401 2.065 20 0 CEADMP CC[C@H]1[C@H](CO)CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000448549450 395514596 /nfs/dbraw/zinc/51/45/96/395514596.db2.gz WLBWVJYVERODNQ-GJZGRUSLSA-N 2 1 265.401 2.065 20 0 CEADMP CCC1([NH2+]C2CC[NH+](C3CC3)CC2)CCOCC1 ZINC000448552717 395515193 /nfs/dbraw/zinc/51/51/93/395515193.db2.gz QYMWAXRYGVBYEX-UHFFFAOYSA-N 2 1 252.402 2.162 20 0 CEADMP CCn1c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])nc2ccccc21 ZINC000565596608 395477530 /nfs/dbraw/zinc/47/75/30/395477530.db2.gz FQDSLEKZDHATRD-NEPJUHHUSA-N 2 1 260.385 2.272 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000568103847 395548704 /nfs/dbraw/zinc/54/87/04/395548704.db2.gz NYBSIUYFHKELLN-UKRRQHHQSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C1CCCCC1 ZINC000568103847 395548706 /nfs/dbraw/zinc/54/87/06/395548706.db2.gz NYBSIUYFHKELLN-UKRRQHHQSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C1CCCCC1 ZINC000568103847 395548707 /nfs/dbraw/zinc/54/87/07/395548707.db2.gz NYBSIUYFHKELLN-UKRRQHHQSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)C1CCCCC1 ZINC000568103847 395548710 /nfs/dbraw/zinc/54/87/10/395548710.db2.gz NYBSIUYFHKELLN-UKRRQHHQSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000568103847 395548712 /nfs/dbraw/zinc/54/87/12/395548712.db2.gz NYBSIUYFHKELLN-UKRRQHHQSA-N 2 1 256.434 2.200 20 0 CEADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCC12CCOCC2)C1CCCC1 ZINC000568380890 395556630 /nfs/dbraw/zinc/55/66/30/395556630.db2.gz CSAXFFIQJZYLSN-ZIAGYGMSSA-N 2 1 252.402 2.053 20 0 CEADMP CC(C)C[C@H](C)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568659549 395565670 /nfs/dbraw/zinc/56/56/70/395565670.db2.gz CVPRHJBPMLUUPS-ZDUSSCGKSA-N 2 1 250.390 2.214 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CC2(O)CCC2)C1 ZINC000573794447 395618296 /nfs/dbraw/zinc/61/82/96/395618296.db2.gz MSJLZZDZKNTJJV-AWEZNQCLSA-N 2 1 254.418 2.003 20 0 CEADMP C[C@H]1CC[N@@H+](CCCc2cncn2C)CCS1 ZINC000573860234 395621671 /nfs/dbraw/zinc/62/16/71/395621671.db2.gz PQXJZOMUWIFLAB-LBPRGKRZSA-N 2 1 253.415 2.180 20 0 CEADMP C[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)CCS1 ZINC000573860234 395621673 /nfs/dbraw/zinc/62/16/73/395621673.db2.gz PQXJZOMUWIFLAB-LBPRGKRZSA-N 2 1 253.415 2.180 20 0 CEADMP C[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)CCS1 ZINC000573860234 395621675 /nfs/dbraw/zinc/62/16/75/395621675.db2.gz PQXJZOMUWIFLAB-LBPRGKRZSA-N 2 1 253.415 2.180 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C(C)C)C1CCCCC1 ZINC000574096695 395626570 /nfs/dbraw/zinc/62/65/70/395626570.db2.gz FQUXMLCVGBTIBA-HNNXBMFYSA-N 2 1 256.434 2.342 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C(C)C)C1CCCCC1 ZINC000574096695 395626571 /nfs/dbraw/zinc/62/65/71/395626571.db2.gz FQUXMLCVGBTIBA-HNNXBMFYSA-N 2 1 256.434 2.342 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C(C)C)C1CCCCC1 ZINC000574096695 395626572 /nfs/dbraw/zinc/62/65/72/395626572.db2.gz FQUXMLCVGBTIBA-HNNXBMFYSA-N 2 1 256.434 2.342 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C(C)C)C1CCCCC1 ZINC000574096695 395626573 /nfs/dbraw/zinc/62/65/73/395626573.db2.gz FQUXMLCVGBTIBA-HNNXBMFYSA-N 2 1 256.434 2.342 20 0 CEADMP Cc1c(CN(C)CC[C@H]2CCCC[N@H+]2C)cnn1C ZINC000575010203 395643825 /nfs/dbraw/zinc/64/38/25/395643825.db2.gz HFRBRLOEUHJYGJ-OAHLLOKOSA-N 2 1 264.417 2.035 20 0 CEADMP Cc1ccccc1C(C)(C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000575377223 395661661 /nfs/dbraw/zinc/66/16/61/395661661.db2.gz INBMRSSZPHLGPG-MRXNPFEDSA-N 2 1 290.451 2.317 20 0 CEADMP Cc1ccccc1C(C)(C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000575377223 395661663 /nfs/dbraw/zinc/66/16/63/395661663.db2.gz INBMRSSZPHLGPG-MRXNPFEDSA-N 2 1 290.451 2.317 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@@H+]1C ZINC000493916118 395677967 /nfs/dbraw/zinc/67/79/67/395677967.db2.gz GWECLKRUULOXGW-ARILJUKYSA-N 2 1 264.413 2.016 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@H+]1C ZINC000493916118 395677968 /nfs/dbraw/zinc/67/79/68/395677968.db2.gz GWECLKRUULOXGW-ARILJUKYSA-N 2 1 264.413 2.016 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000647509944 395724359 /nfs/dbraw/zinc/72/43/59/395724359.db2.gz GZEBLNVWDRGUDP-CHWSQXEVSA-N 2 1 288.395 2.158 20 0 CEADMP COc1cc(C)[nH+]c(CN(C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482497 395720290 /nfs/dbraw/zinc/72/02/90/395720290.db2.gz JWCFOEAIWVCPLE-UHFFFAOYSA-N 2 1 275.396 2.115 20 0 CEADMP COc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647483053 395720756 /nfs/dbraw/zinc/72/07/56/395720756.db2.gz VNLROONWPHRGMK-UHFFFAOYSA-N 2 1 290.407 2.420 20 0 CEADMP COc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647483053 395720758 /nfs/dbraw/zinc/72/07/58/395720758.db2.gz VNLROONWPHRGMK-UHFFFAOYSA-N 2 1 290.407 2.420 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3cnccc3c2)CC[C@H]1[NH3+] ZINC000647496343 395721866 /nfs/dbraw/zinc/72/18/66/395721866.db2.gz VIXFLVPDCHPLEA-MLGOLLRUSA-N 2 1 255.365 2.404 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cccc3c2OCCCO3)CC[C@@H]1[NH3+] ZINC000647498965 395722611 /nfs/dbraw/zinc/72/26/11/395722611.db2.gz VHHGUOSQEVHZAQ-HIFRSBDPSA-N 2 1 290.407 2.407 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc3c2OCCCO3)CC[C@@H]1[NH3+] ZINC000647498965 395722612 /nfs/dbraw/zinc/72/26/12/395722612.db2.gz VHHGUOSQEVHZAQ-HIFRSBDPSA-N 2 1 290.407 2.407 20 0 CEADMP CCOc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)nc1 ZINC000647506091 395723093 /nfs/dbraw/zinc/72/30/93/395723093.db2.gz FMPBIVFCAFDSQI-OAHLLOKOSA-N 2 1 265.401 2.286 20 0 CEADMP CCOc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)nc1 ZINC000647506091 395723095 /nfs/dbraw/zinc/72/30/95/395723095.db2.gz FMPBIVFCAFDSQI-OAHLLOKOSA-N 2 1 265.401 2.286 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647514263 395724899 /nfs/dbraw/zinc/72/48/99/395724899.db2.gz VNOQAZFWERTKIH-UHFFFAOYSA-N 2 1 276.428 2.046 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000647517280 395725282 /nfs/dbraw/zinc/72/52/82/395725282.db2.gz BXIPRYFOCDUBEO-MSOLQXFVSA-N 2 1 287.451 2.192 20 0 CEADMP Cc1ccccc1OCCC[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000647549149 395732832 /nfs/dbraw/zinc/73/28/32/395732832.db2.gz KDPXIQANSLIUHT-UKRRQHHQSA-N 2 1 262.397 2.352 20 0 CEADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC000647548630 395732888 /nfs/dbraw/zinc/73/28/88/395732888.db2.gz LNFRCVFSEZOMHU-WFASDCNBSA-N 2 1 250.361 2.346 20 0 CEADMP Fc1cccc(O[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000647537995 395729432 /nfs/dbraw/zinc/72/94/32/395729432.db2.gz BMXHHAOASAKDIX-INIZCTEOSA-N 2 1 278.371 2.278 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC[NH2+]C1 ZINC000647538403 395729578 /nfs/dbraw/zinc/72/95/78/395729578.db2.gz QEXJCAKZZHQBPI-HOTGVXAUSA-N 2 1 278.371 2.278 20 0 CEADMP FC(F)n1ccnc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542771 395730799 /nfs/dbraw/zinc/73/07/99/395730799.db2.gz BOZOAULXSVOMRT-QWHCGFSZSA-N 2 1 298.381 2.490 20 0 CEADMP FC(F)n1ccnc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542771 395730800 /nfs/dbraw/zinc/73/08/00/395730800.db2.gz BOZOAULXSVOMRT-QWHCGFSZSA-N 2 1 298.381 2.490 20 0 CEADMP c1cc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)ccc2cn1 ZINC000647542280 395730904 /nfs/dbraw/zinc/73/09/04/395730904.db2.gz CWGVWMBXRRZXFE-IRXDYDNUSA-N 2 1 267.376 2.419 20 0 CEADMP c1cc2cc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)ccc2cn1 ZINC000647542280 395730907 /nfs/dbraw/zinc/73/09/07/395730907.db2.gz CWGVWMBXRRZXFE-IRXDYDNUSA-N 2 1 267.376 2.419 20 0 CEADMP CCc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000647545497 395731227 /nfs/dbraw/zinc/73/12/27/395731227.db2.gz YVTPGZFCEXLUBL-CYBMUJFWSA-N 2 1 294.464 2.498 20 0 CEADMP C(C1CCOCC1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543854 395731538 /nfs/dbraw/zinc/73/15/38/395731538.db2.gz SXQVXVVFIFUWRN-HOTGVXAUSA-N 2 1 266.429 2.125 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000647545814 395731841 /nfs/dbraw/zinc/73/18/41/395731841.db2.gz YOLMKAJWMZAGMD-LSDHHAIUSA-N 2 1 289.423 2.302 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1)c1cccnc1 ZINC000647549691 395733273 /nfs/dbraw/zinc/73/32/73/395733273.db2.gz NGOYBMJGDVRTNW-NUEKZKHPSA-N 2 1 261.413 2.409 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1)CCOCC2 ZINC000647553171 395734442 /nfs/dbraw/zinc/73/44/42/395734442.db2.gz FUTAAKYWNNLTKQ-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ncccc1C(F)(F)F ZINC000647552329 395734462 /nfs/dbraw/zinc/73/44/62/395734462.db2.gz RUDGNODHVZSGHZ-BDAKNGLRSA-N 2 1 261.291 2.316 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000647788007 395754389 /nfs/dbraw/zinc/75/43/89/395754389.db2.gz BONDOGTUGUHFPH-UHDSXZAQSA-N 3 1 279.472 2.085 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000647788007 395754391 /nfs/dbraw/zinc/75/43/91/395754391.db2.gz BONDOGTUGUHFPH-UHDSXZAQSA-N 3 1 279.472 2.085 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798613 395756906 /nfs/dbraw/zinc/75/69/06/395756906.db2.gz UHHVSHVFAJEJMS-XUWVNRHRSA-N 3 1 267.461 2.085 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798613 395756908 /nfs/dbraw/zinc/75/69/08/395756908.db2.gz UHHVSHVFAJEJMS-XUWVNRHRSA-N 3 1 267.461 2.085 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)CC[C@@H]1[NH3+] ZINC000647936411 395779574 /nfs/dbraw/zinc/77/95/74/395779574.db2.gz DCXMIMPKDKDYGJ-ZBFHGGJFSA-N 2 1 275.396 2.204 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000647951257 395782590 /nfs/dbraw/zinc/78/25/90/395782590.db2.gz QZKHLQPDTXLBEU-GFCCVEGCSA-N 2 1 263.385 2.114 20 0 CEADMP CCC[C@@H](NC(=O)[C@H](C)[N@H+](C)CCC[NH3+])c1ccccc1 ZINC000647849224 395763282 /nfs/dbraw/zinc/76/32/82/395763282.db2.gz LYFRSBSYCUKQMM-GOEBONIOSA-N 2 1 291.439 2.313 20 0 CEADMP CCC[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+])c1ccccc1 ZINC000647849224 395763284 /nfs/dbraw/zinc/76/32/84/395763284.db2.gz LYFRSBSYCUKQMM-GOEBONIOSA-N 2 1 291.439 2.313 20 0 CEADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)CCC[NH3+] ZINC000647849464 395763519 /nfs/dbraw/zinc/76/35/19/395763519.db2.gz UYHYWTFPCOXPHN-CHWSQXEVSA-N 2 1 295.452 2.081 20 0 CEADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)CCC[NH3+] ZINC000647849464 395763521 /nfs/dbraw/zinc/76/35/21/395763521.db2.gz UYHYWTFPCOXPHN-CHWSQXEVSA-N 2 1 295.452 2.081 20 0 CEADMP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)CCC[NH3+] ZINC000647849466 395763675 /nfs/dbraw/zinc/76/36/75/395763675.db2.gz UYHYWTFPCOXPHN-QWHCGFSZSA-N 2 1 295.452 2.081 20 0 CEADMP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)CCC[NH3+] ZINC000647849466 395763676 /nfs/dbraw/zinc/76/36/76/395763676.db2.gz UYHYWTFPCOXPHN-QWHCGFSZSA-N 2 1 295.452 2.081 20 0 CEADMP CCCC[C@@H](C[NH3+])NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000647875043 395767114 /nfs/dbraw/zinc/76/71/14/395767114.db2.gz SRJDELPOFCAXPF-OLZOCXBDSA-N 2 1 280.416 2.030 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)[C@H]1CCCCO1 ZINC000647903750 395770729 /nfs/dbraw/zinc/77/07/29/395770729.db2.gz PAUFYQKUXZEOAQ-XHSDSOJGSA-N 2 1 266.429 2.410 20 0 CEADMP CCC(CC)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071674 395825930 /nfs/dbraw/zinc/82/59/30/395825930.db2.gz OGODXGHCRKBMAI-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)COCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977378 395793553 /nfs/dbraw/zinc/79/35/53/395793553.db2.gz AKEJZBYXMGRPLO-CVEARBPZSA-N 2 1 268.445 2.371 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)[C@@H]1CCCO1 ZINC000647978228 395794278 /nfs/dbraw/zinc/79/42/78/395794278.db2.gz OUFSMDOXVKLHHW-JYJNAYRXSA-N 2 1 266.429 2.267 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000647987765 395796626 /nfs/dbraw/zinc/79/66/26/395796626.db2.gz YEXWVFODCNSCSD-IAGOWNOFSA-N 3 1 279.472 2.230 20 0 CEADMP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647988433 395796813 /nfs/dbraw/zinc/79/68/13/395796813.db2.gz IYFCQZPMMJNZHM-GJZGRUSLSA-N 2 1 291.414 2.114 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000648437130 395908653 /nfs/dbraw/zinc/90/86/53/395908653.db2.gz BGFIDPTXEBVPCI-YYIAUSFCSA-N 2 1 298.471 2.423 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000648583346 395932661 /nfs/dbraw/zinc/93/26/61/395932661.db2.gz LPBJMTKUDQRITP-SOUVJXGZSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000648583346 395932662 /nfs/dbraw/zinc/93/26/62/395932662.db2.gz LPBJMTKUDQRITP-SOUVJXGZSA-N 2 1 254.418 2.408 20 0 CEADMP CC[N@H+]1CCN(C[C@H]2CCCC[NH+]2C(C)C)C[C@@H]1C ZINC000649396040 396140746 /nfs/dbraw/zinc/14/07/46/396140746.db2.gz WRJNQKRDMKQVMG-JKSUJKDBSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1C ZINC000649396040 396140749 /nfs/dbraw/zinc/14/07/49/396140749.db2.gz WRJNQKRDMKQVMG-JKSUJKDBSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)C[C@@H]1C ZINC000649396040 396140752 /nfs/dbraw/zinc/14/07/52/396140752.db2.gz WRJNQKRDMKQVMG-JKSUJKDBSA-N 2 1 267.461 2.275 20 0 CEADMP c1c[nH]c([C@@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000649411949 396146284 /nfs/dbraw/zinc/14/62/84/396146284.db2.gz XSJYEJXSMDWDJD-OAHLLOKOSA-N 2 1 276.428 2.369 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000649413910 396147617 /nfs/dbraw/zinc/14/76/17/396147617.db2.gz RMVWWBZNYKCMNO-WBVHZDCISA-N 3 1 281.488 2.428 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000649413910 396147620 /nfs/dbraw/zinc/14/76/20/396147620.db2.gz RMVWWBZNYKCMNO-WBVHZDCISA-N 3 1 281.488 2.428 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000649413910 396147624 /nfs/dbraw/zinc/14/76/24/396147624.db2.gz RMVWWBZNYKCMNO-WBVHZDCISA-N 3 1 281.488 2.428 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CCCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000649413910 396147628 /nfs/dbraw/zinc/14/76/28/396147628.db2.gz RMVWWBZNYKCMNO-WBVHZDCISA-N 2 1 281.488 2.428 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CCCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000649413910 396147631 /nfs/dbraw/zinc/14/76/31/396147631.db2.gz RMVWWBZNYKCMNO-WBVHZDCISA-N 2 1 281.488 2.428 20 0 CEADMP Cc1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000649418284 396149352 /nfs/dbraw/zinc/14/93/52/396149352.db2.gz VTEBZEDFHRVBSV-ZIAGYGMSSA-N 2 1 263.385 2.195 20 0 CEADMP CC1CCC([NH+]2CCN(C[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000649533736 396180022 /nfs/dbraw/zinc/18/00/22/396180022.db2.gz QGRYBWQRSUBDQE-OFLPRAFFSA-N 2 1 279.472 2.277 20 0 CEADMP CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCCn1cc[nH+]c1C ZINC000649719669 396239919 /nfs/dbraw/zinc/23/99/19/396239919.db2.gz VHXCVJXCHNKBDI-CABCVRRESA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@@H]1CO[C@@H](CC)C[N@H+]1CCCn1cc[nH+]c1C ZINC000649719669 396239921 /nfs/dbraw/zinc/23/99/21/396239921.db2.gz VHXCVJXCHNKBDI-CABCVRRESA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@@H]1C[N@H+](CCCn2cc[nH+]c2C)[C@@H](CC)CO1 ZINC000649719672 396240193 /nfs/dbraw/zinc/24/01/93/396240193.db2.gz VHXCVJXCHNKBDI-LSDHHAIUSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)[C@@H](CC)CO1 ZINC000649719672 396240194 /nfs/dbraw/zinc/24/01/94/396240194.db2.gz VHXCVJXCHNKBDI-LSDHHAIUSA-N 2 1 265.401 2.471 20 0 CEADMP C[C@@H](CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647174670 396429787 /nfs/dbraw/zinc/42/97/87/396429787.db2.gz INZZRHLFASCTHB-WBVHZDCISA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H](CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647174670 396429789 /nfs/dbraw/zinc/42/97/89/396429789.db2.gz INZZRHLFASCTHB-WBVHZDCISA-N 2 1 288.435 2.402 20 0 CEADMP Cc1ccccc1-n1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cn1 ZINC000647212678 396441893 /nfs/dbraw/zinc/44/18/93/396441893.db2.gz OHFBGHVNXODLSC-CQSZACIVSA-N 2 1 286.423 2.468 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1ccnn1-c1ccccn1)C1CC1 ZINC000647216357 396442701 /nfs/dbraw/zinc/44/27/01/396442701.db2.gz FOWOJZLTEKKVJC-UHFFFAOYSA-N 2 1 299.422 2.231 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1O ZINC000037916286 400122120 /nfs/dbraw/zinc/12/21/20/400122120.db2.gz XRZLJLCQWRRDPF-CABCVRRESA-N 2 1 290.407 2.365 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1O ZINC000037916286 400122123 /nfs/dbraw/zinc/12/21/23/400122123.db2.gz XRZLJLCQWRRDPF-CABCVRRESA-N 2 1 290.407 2.365 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCCOCC(F)(F)F ZINC000063196391 400242390 /nfs/dbraw/zinc/24/23/90/400242390.db2.gz XKCGHADMBDEHCX-GHMZBOCLSA-N 2 1 268.323 2.157 20 0 CEADMP C([C@H]1CCSC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000300272765 400327005 /nfs/dbraw/zinc/32/70/05/400327005.db2.gz RHGZHNMLNSLENA-RDBSUJKOSA-N 2 1 254.443 2.204 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000309843447 400341570 /nfs/dbraw/zinc/34/15/70/400341570.db2.gz XDWBVGPHDUNBOD-CYBMUJFWSA-N 2 1 287.448 2.220 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000309843447 400341573 /nfs/dbraw/zinc/34/15/73/400341573.db2.gz XDWBVGPHDUNBOD-CYBMUJFWSA-N 2 1 287.448 2.220 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2([C@@H](O)C(C)C)CC2)[C@H](C)C1 ZINC000344309430 400367295 /nfs/dbraw/zinc/36/72/95/400367295.db2.gz ZIICJYSKAJVTLT-ILXRZTDVSA-N 2 1 268.445 2.103 20 0 CEADMP COC1([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000414292894 292149576 /nfs/dbraw/zinc/14/95/76/292149576.db2.gz BAZWGBTZGJAGBF-IHRRRGAJSA-N 2 1 252.402 2.160 20 0 CEADMP CO[C@@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000385894547 400523204 /nfs/dbraw/zinc/52/32/04/400523204.db2.gz DWAJHNJKOXLOTC-DKUMPPAJSA-N 2 1 252.402 2.016 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccnn2C(C)C)CC[C@H]1[NH3+] ZINC000394659478 400551538 /nfs/dbraw/zinc/55/15/38/400551538.db2.gz ZLMUYSWDWHJODB-TZMCWYRMSA-N 2 1 250.390 2.023 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccnn2C(C)C)CC[C@H]1[NH3+] ZINC000394659478 400551543 /nfs/dbraw/zinc/55/15/43/400551543.db2.gz ZLMUYSWDWHJODB-TZMCWYRMSA-N 2 1 250.390 2.023 20 0 CEADMP CC(C)C[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC000636119942 400687909 /nfs/dbraw/zinc/68/79/09/400687909.db2.gz UJIGJBLNWYCTPJ-UHFFFAOYSA-N 2 1 294.443 2.101 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC000636119942 400687910 /nfs/dbraw/zinc/68/79/10/400687910.db2.gz UJIGJBLNWYCTPJ-UHFFFAOYSA-N 2 1 294.443 2.101 20 0 CEADMP FCCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683059 400696915 /nfs/dbraw/zinc/69/69/15/400696915.db2.gz FLAZMOCTKWEAJN-UHFFFAOYSA-N 2 1 251.349 2.343 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H](C)c1cnccn1 ZINC000650130340 400809682 /nfs/dbraw/zinc/80/96/82/400809682.db2.gz QEFSOOZIAGSIOC-CYBMUJFWSA-N 2 1 250.390 2.105 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709112 401000105 /nfs/dbraw/zinc/00/01/05/401000105.db2.gz CAXMIMCQWKVGLR-BBRMVZONSA-N 2 1 276.428 2.268 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2ccc(C[NH3+])cc2F)[C@H](C)C1 ZINC000650717984 401007712 /nfs/dbraw/zinc/00/77/12/401007712.db2.gz SVYSZNNRWZLRDU-MLGOLLRUSA-N 2 1 279.403 2.104 20 0 CEADMP Cc1csc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)n1 ZINC000650723633 401010800 /nfs/dbraw/zinc/01/08/00/401010800.db2.gz RCNLKMNTQNMKAU-MGPQQGTHSA-N 2 1 295.452 2.312 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CNc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000650747542 401024250 /nfs/dbraw/zinc/02/42/50/401024250.db2.gz BYIYCWWOASVTFM-DZKIICNBSA-N 2 1 259.397 2.143 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)[C@H]1CCCC[NH2+]1 ZINC000650752645 401029291 /nfs/dbraw/zinc/02/92/91/401029291.db2.gz WPVJYWRWLPEKPQ-DZUCGIPZSA-N 2 1 289.423 2.422 20 0 CEADMP CC[C@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccn(C)n1 ZINC000650756564 401032609 /nfs/dbraw/zinc/03/26/09/401032609.db2.gz DUCYNOVXHZFDLJ-HNNXBMFYSA-N 2 1 272.396 2.380 20 0 CEADMP Cc1nc(NCCC[N@@H+](C)CC(C)C)c(C)c(C)[nH+]1 ZINC000651363825 401322005 /nfs/dbraw/zinc/32/20/05/401322005.db2.gz JLLXPACASHHDBP-UHFFFAOYSA-N 2 1 264.417 2.214 20 0 CEADMP Cc1nc(NCCC[N@H+](C)CC(C)C)c(C)c(C)[nH+]1 ZINC000651363825 401322008 /nfs/dbraw/zinc/32/20/08/401322008.db2.gz JLLXPACASHHDBP-UHFFFAOYSA-N 2 1 264.417 2.214 20 0 CEADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H](CO)CCF ZINC000652017882 401434074 /nfs/dbraw/zinc/43/40/74/401434074.db2.gz FMIKYDLGYDUAGZ-MRXNPFEDSA-N 2 1 296.430 2.455 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H](CO)CCF ZINC000652017882 401434076 /nfs/dbraw/zinc/43/40/76/401434076.db2.gz FMIKYDLGYDUAGZ-MRXNPFEDSA-N 2 1 296.430 2.455 20 0 CEADMP COC[C@@H](CC(C)(C)C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000652150529 401457573 /nfs/dbraw/zinc/45/75/73/401457573.db2.gz ZDKUEKXXRCMQGP-MRXNPFEDSA-N 2 1 299.503 2.055 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](COC)C2CC2)[C@H](C)C1 ZINC000122352875 286063637 /nfs/dbraw/zinc/06/36/37/286063637.db2.gz IWVJMEWTAVLSQX-PVAVHDDUSA-N 2 1 298.471 2.138 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2C)[C@H](C)C1 ZINC000195036908 286064243 /nfs/dbraw/zinc/06/42/43/286064243.db2.gz ALPDIYHXNQPSEX-LTIDMASMSA-N 2 1 298.471 2.138 20 0 CEADMP CCOCCC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328151109 286065118 /nfs/dbraw/zinc/06/51/18/286065118.db2.gz DLQMWFREPQWGKQ-CVEARBPZSA-N 2 1 262.397 2.087 20 0 CEADMP Fc1ccc2c(c1F)C[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000652343771 401490783 /nfs/dbraw/zinc/49/07/83/401490783.db2.gz WYTYBNAUZMTKSH-NSHDSACASA-N 2 1 266.335 2.323 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCCCF)C2)C1 ZINC000652349177 401491566 /nfs/dbraw/zinc/49/15/66/401491566.db2.gz DXSXKNGXRJGRBT-KFWWJZLASA-N 2 1 272.408 2.345 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCc2ccncc2)[C@H]1CC[NH3+] ZINC000652356201 401493006 /nfs/dbraw/zinc/49/30/06/401493006.db2.gz WGVHMIBXMZEJOG-ZBFHGGJFSA-N 2 1 261.413 2.464 20 0 CEADMP CCc1cnc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000652364059 401495016 /nfs/dbraw/zinc/49/50/16/401495016.db2.gz WHAMCMWOOUFVSX-CFVMTHIKSA-N 2 1 293.411 2.098 20 0 CEADMP CCc1cnc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000652364059 401495021 /nfs/dbraw/zinc/49/50/21/401495021.db2.gz WHAMCMWOOUFVSX-CFVMTHIKSA-N 2 1 293.411 2.098 20 0 CEADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000360240602 155252660 /nfs/dbraw/zinc/25/26/60/155252660.db2.gz GIWQKUSZSMIRJU-VMGRFDJRSA-N 2 1 292.398 2.105 20 0 CEADMP CO[C@]1(C)C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C1(C)C ZINC000178976832 286166968 /nfs/dbraw/zinc/16/69/68/286166968.db2.gz DCGNTYCKRJBEGY-DZGCQCFKSA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1cc(C)sc1C ZINC000310779607 289279352 /nfs/dbraw/zinc/27/93/52/289279352.db2.gz RGSNNTXWPHLKFR-WCQYABFASA-N 2 1 270.442 2.328 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360567866 155329129 /nfs/dbraw/zinc/32/91/29/155329129.db2.gz HRHYTBCERQOBCH-QGZVFWFLSA-N 2 1 274.408 2.313 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)C2CCCCC2)CC[N@H+]1C ZINC000188660850 153068020 /nfs/dbraw/zinc/06/80/20/153068020.db2.gz CVLZMOKNKWBASZ-KBMXLJTQSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)CC2CCCC2)CC[N@@H+]1C ZINC000190633254 153137614 /nfs/dbraw/zinc/13/76/14/153137614.db2.gz VOTIRIPTPOZUJX-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)CC2CCCC2)CC[N@H+]1C ZINC000190633254 153137621 /nfs/dbraw/zinc/13/76/21/153137621.db2.gz VOTIRIPTPOZUJX-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)C[C@H](O)CC2CCCC2)CC[NH+]1C ZINC000190633254 153137624 /nfs/dbraw/zinc/13/76/24/153137624.db2.gz VOTIRIPTPOZUJX-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)C[C@H](O)CC2CCCC2)CC[NH+]1C ZINC000190633254 153137632 /nfs/dbraw/zinc/13/76/32/153137632.db2.gz VOTIRIPTPOZUJX-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCS[C@H](C)[C@H]2C)CC1 ZINC000191500630 153177109 /nfs/dbraw/zinc/17/71/09/153177109.db2.gz ACNLCTYNUVQZQZ-HZPDHXFCSA-N 2 1 299.528 2.228 20 0 CEADMP C[NH+]1CCC(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192934449 153221960 /nfs/dbraw/zinc/22/19/60/153221960.db2.gz YGXYQPBKTMRBGM-KRWDZBQOSA-N 2 1 287.451 2.192 20 0 CEADMP CSC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC000193008673 153224296 /nfs/dbraw/zinc/22/42/96/153224296.db2.gz VIEVTGFOWHHSBT-AGUYFDCRSA-N 2 1 284.469 2.113 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000216156778 153292144 /nfs/dbraw/zinc/29/21/44/153292144.db2.gz BRLXYTBKFYYZSM-QWHCGFSZSA-N 2 1 278.396 2.181 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnn(C(C)C)c1 ZINC000220326317 153308555 /nfs/dbraw/zinc/30/85/55/153308555.db2.gz JDFQYVNBWCFXGM-AWEZNQCLSA-N 2 1 252.406 2.269 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnn(C(C)C)c1 ZINC000220326317 153308559 /nfs/dbraw/zinc/30/85/59/153308559.db2.gz JDFQYVNBWCFXGM-AWEZNQCLSA-N 2 1 252.406 2.269 20 0 CEADMP OC[C@]1(c2ccccc2)CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261728978 153821147 /nfs/dbraw/zinc/82/11/47/153821147.db2.gz KBYZGCIUMUOTKH-SFHVURJKSA-N 2 1 288.435 2.012 20 0 CEADMP CCc1ncc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)s1 ZINC000336480334 154255613 /nfs/dbraw/zinc/25/56/13/154255613.db2.gz JOQULZJGFLCQFS-YPMHNXCESA-N 2 1 265.426 2.232 20 0 CEADMP C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)CC(C)(C)C[NH3+] ZINC000346694884 154294064 /nfs/dbraw/zinc/29/40/64/154294064.db2.gz WVNFZEIKVPGPEL-UHFFFAOYSA-N 2 1 290.386 2.428 20 0 CEADMP C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)CC(C)(C)C[NH3+] ZINC000346694884 154294068 /nfs/dbraw/zinc/29/40/68/154294068.db2.gz WVNFZEIKVPGPEL-UHFFFAOYSA-N 2 1 290.386 2.428 20 0 CEADMP COCCCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000347086359 154301587 /nfs/dbraw/zinc/30/15/87/154301587.db2.gz DUVDEFUQWXMRHI-WMLDXEAASA-N 2 1 292.423 2.271 20 0 CEADMP CCc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cn1 ZINC000352774930 154335059 /nfs/dbraw/zinc/33/50/59/154335059.db2.gz YQVYWNWEPMDJOM-AWEZNQCLSA-N 2 1 261.413 2.466 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCOCC[NH3+] ZINC000357073518 154371636 /nfs/dbraw/zinc/37/16/36/154371636.db2.gz LZKWLEKJFZLPQA-INIZCTEOSA-N 2 1 264.413 2.305 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357084519 154376198 /nfs/dbraw/zinc/37/61/98/154376198.db2.gz QRBRPNMSQIFJHY-CVEARBPZSA-N 2 1 274.408 2.169 20 0 CEADMP CC(C)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358852766 154800301 /nfs/dbraw/zinc/80/03/01/154800301.db2.gz LRKOQORDDFFBMF-HZPDHXFCSA-N 2 1 298.471 2.233 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000359684276 155110743 /nfs/dbraw/zinc/11/07/43/155110743.db2.gz ZMVIIRYAIDSURM-QAPCUYQASA-N 2 1 298.434 2.361 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000363182515 156008701 /nfs/dbraw/zinc/00/87/01/156008701.db2.gz ZBWIYRWWIZXSFV-JYJNAYRXSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H](c1ccccc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363218296 156015389 /nfs/dbraw/zinc/01/53/89/156015389.db2.gz HLOAKRNKNCPULM-SJLPKXTDSA-N 2 1 287.451 2.459 20 0 CEADMP C[NH+]1CCC[C@@H]1[C@H]1CCCN1CC[C@H]1CCC[N@@H+]1C ZINC000363451900 156026684 /nfs/dbraw/zinc/02/66/84/156026684.db2.gz YLPQFVMYNIQRMN-BZUAXINKSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000363451900 156026690 /nfs/dbraw/zinc/02/66/90/156026690.db2.gz YLPQFVMYNIQRMN-BZUAXINKSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000363451900 156026695 /nfs/dbraw/zinc/02/66/95/156026695.db2.gz YLPQFVMYNIQRMN-BZUAXINKSA-N 2 1 265.445 2.029 20 0 CEADMP CO[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000363938182 156053293 /nfs/dbraw/zinc/05/32/93/156053293.db2.gz JTXZIWPTARYTLR-OAHLLOKOSA-N 2 1 254.418 2.363 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NC[C@H]1[NH+](C)CCCC1(C)C)C2 ZINC000363992317 156059672 /nfs/dbraw/zinc/05/96/72/156059672.db2.gz FRXAESGTPQEVHB-WTXIUTQJSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1[N@H+](C)CCCC1(C)C)C2 ZINC000363992317 156059674 /nfs/dbraw/zinc/05/96/74/156059674.db2.gz FRXAESGTPQEVHB-WTXIUTQJSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1[N@@H+](C)CCCC1(C)C)C2 ZINC000363992317 156059677 /nfs/dbraw/zinc/05/96/77/156059677.db2.gz FRXAESGTPQEVHB-WTXIUTQJSA-N 2 1 279.472 2.322 20 0 CEADMP CN1CCCC(C)(C)[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000363992317 156059682 /nfs/dbraw/zinc/05/96/82/156059682.db2.gz FRXAESGTPQEVHB-WTXIUTQJSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccccn3)C2)CC[N@@H+]1C ZINC000367396251 156180506 /nfs/dbraw/zinc/18/05/06/156180506.db2.gz HZICPPVSAFPXSG-OAGGEKHMSA-N 2 1 288.439 2.123 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccccn3)C2)CC[N@H+]1C ZINC000367396251 156180507 /nfs/dbraw/zinc/18/05/07/156180507.db2.gz HZICPPVSAFPXSG-OAGGEKHMSA-N 2 1 288.439 2.123 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CCCc2n[nH]cc21)C[NH+]1CCCC1 ZINC000367593612 156208204 /nfs/dbraw/zinc/20/82/04/156208204.db2.gz HZZMZIPOMNYTCN-JSGCOSHPSA-N 2 1 262.401 2.109 20 0 CEADMP COc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367612656 156212108 /nfs/dbraw/zinc/21/21/08/156212108.db2.gz DSOAPSCQYMIXNX-RRFJBIMHSA-N 2 1 275.396 2.053 20 0 CEADMP COc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367612656 156212110 /nfs/dbraw/zinc/21/21/10/156212110.db2.gz DSOAPSCQYMIXNX-RRFJBIMHSA-N 2 1 275.396 2.053 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccsc2)[C@H]2CCC[C@@H]21 ZINC000367611624 156214886 /nfs/dbraw/zinc/21/48/86/156214886.db2.gz CIVSJMYXVHIPJF-QPSCCSFWSA-N 2 1 280.437 2.244 20 0 CEADMP CCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367625812 156219600 /nfs/dbraw/zinc/21/96/00/156219600.db2.gz ZAYBXEDWHMWXQJ-BZUAXINKSA-N 2 1 289.423 2.443 20 0 CEADMP CCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367625812 156219602 /nfs/dbraw/zinc/21/96/02/156219602.db2.gz ZAYBXEDWHMWXQJ-BZUAXINKSA-N 2 1 289.423 2.443 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C3CC3)C2)CC1 ZINC000375601294 157113963 /nfs/dbraw/zinc/11/39/63/157113963.db2.gz XVCSENBTLASVDB-QGZVFWFLSA-N 2 1 279.472 2.134 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000375783913 157145401 /nfs/dbraw/zinc/14/54/01/157145401.db2.gz GCXFEGOUYVSBSA-BRSBDYLESA-N 2 1 288.435 2.491 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nccn2C(F)F)[C@H]2CCC[C@@H]21 ZINC000375897187 157158303 /nfs/dbraw/zinc/15/83/03/157158303.db2.gz DZNHODYSOIWPGX-WOPDTQHZSA-N 2 1 284.354 2.241 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2nccn2C(F)F)[C@H]2CCC[C@@H]21 ZINC000375897187 157158304 /nfs/dbraw/zinc/15/83/04/157158304.db2.gz DZNHODYSOIWPGX-WOPDTQHZSA-N 2 1 284.354 2.241 20 0 CEADMP CC[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677748 298115836 /nfs/dbraw/zinc/11/58/36/298115836.db2.gz RGJGNSIOGRYBHH-ZIAGYGMSSA-N 2 1 281.469 2.425 20 0 CEADMP CO[C@]1(C)C[C@@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1(C)C ZINC000155147675 162307568 /nfs/dbraw/zinc/30/75/68/162307568.db2.gz HUBJBGWGNSLSLY-RMRHIDDWSA-N 2 1 254.418 2.120 20 0 CEADMP CO[C@]1(C)C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1(C)C ZINC000155147675 162307572 /nfs/dbraw/zinc/30/75/72/162307572.db2.gz HUBJBGWGNSLSLY-RMRHIDDWSA-N 2 1 254.418 2.120 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)COC)CC1 ZINC000173549938 165074265 /nfs/dbraw/zinc/07/42/65/165074265.db2.gz PMUNXHRSAVGCQM-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173617956 165076884 /nfs/dbraw/zinc/07/68/84/165076884.db2.gz OVQCXDLEFIITLJ-ZDUSSCGKSA-N 2 1 283.460 2.142 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cnn(C)c1 ZINC000180406187 165308715 /nfs/dbraw/zinc/30/87/15/165308715.db2.gz AUXMTXREBDQESD-HNNXBMFYSA-N 2 1 264.417 2.334 20 0 CEADMP OCC1([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000182425915 165373329 /nfs/dbraw/zinc/37/33/29/165373329.db2.gz SCAYSXVSPGPWSS-UHFFFAOYSA-N 2 1 274.408 2.156 20 0 CEADMP FC(F)Oc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000284313183 196027289 /nfs/dbraw/zinc/02/72/89/196027289.db2.gz JNAAORBDSQCXHR-QWHCGFSZSA-N 2 1 297.349 2.399 20 0 CEADMP FC(F)Oc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000284313183 196027291 /nfs/dbraw/zinc/02/72/91/196027291.db2.gz JNAAORBDSQCXHR-QWHCGFSZSA-N 2 1 297.349 2.399 20 0 CEADMP Cc1[nH+]ccn1CCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000284347981 196036146 /nfs/dbraw/zinc/03/61/46/196036146.db2.gz MSZXGWOHMIDHQR-UHFFFAOYSA-N 2 1 297.362 2.049 20 0 CEADMP C[N@@H+](CCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285420270 196279000 /nfs/dbraw/zinc/27/90/00/196279000.db2.gz GOZLVQHLHRVUDO-XYPWUTKMSA-N 2 1 259.397 2.181 20 0 CEADMP C[NH+](CCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285420270 196279001 /nfs/dbraw/zinc/27/90/01/196279001.db2.gz GOZLVQHLHRVUDO-XYPWUTKMSA-N 2 1 259.397 2.181 20 0 CEADMP C[NH+](CCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285420270 196279003 /nfs/dbraw/zinc/27/90/03/196279003.db2.gz GOZLVQHLHRVUDO-XYPWUTKMSA-N 2 1 259.397 2.181 20 0 CEADMP C[N@@H+](CCc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285484630 196300715 /nfs/dbraw/zinc/30/07/15/196300715.db2.gz LREFSZQDFQZXAZ-XYPWUTKMSA-N 2 1 259.397 2.181 20 0 CEADMP C[NH+](CCc1ccncc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285484630 196300717 /nfs/dbraw/zinc/30/07/17/196300717.db2.gz LREFSZQDFQZXAZ-XYPWUTKMSA-N 2 1 259.397 2.181 20 0 CEADMP C[NH+](CCc1ccncc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285484630 196300719 /nfs/dbraw/zinc/30/07/19/196300719.db2.gz LREFSZQDFQZXAZ-XYPWUTKMSA-N 2 1 259.397 2.181 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000037267134 173077772 /nfs/dbraw/zinc/07/77/72/173077772.db2.gz KLCOWZMUYDUERP-LLVKDONJSA-N 2 1 262.353 2.160 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@@H]([NH3+])C(C)(C)C)C1CCCCC1 ZINC000040468861 174277732 /nfs/dbraw/zinc/27/77/32/174277732.db2.gz GTNVZFMQNLDWOY-CQSZACIVSA-N 2 1 283.460 2.131 20 0 CEADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)([NH+](C)C)C1 ZINC000401122116 414750557 /nfs/dbraw/zinc/75/05/57/414750557.db2.gz KFWFXNNORHKPOF-ICUGJSFKSA-N 3 1 293.499 2.475 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](CC)CO1 ZINC000403778237 414767718 /nfs/dbraw/zinc/76/77/18/414767718.db2.gz FQBSNBQNJWTUGP-GBJTYRQASA-N 2 1 254.418 2.264 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@@H](C)[C@@H]2C[NH3+])c1C ZINC000070178238 414767912 /nfs/dbraw/zinc/76/79/12/414767912.db2.gz SXWFRJNUSVQRNE-ABAIWWIYSA-N 2 1 277.412 2.266 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@H](C)[C@@H]2C[NH3+])c1C ZINC000070178237 414768147 /nfs/dbraw/zinc/76/81/47/414768147.db2.gz SXWFRJNUSVQRNE-NHYWBVRUSA-N 2 1 277.412 2.266 20 0 CEADMP C[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)[C@@H]1C[NH3+] ZINC000070177768 414769278 /nfs/dbraw/zinc/76/92/78/414769278.db2.gz XJUIJBOPFXMSNF-WMLDXEAASA-N 2 1 284.407 2.432 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)[C@@H]1C[NH3+] ZINC000070177768 414769280 /nfs/dbraw/zinc/76/92/80/414769280.db2.gz XJUIJBOPFXMSNF-WMLDXEAASA-N 2 1 284.407 2.432 20 0 CEADMP C[C@H]([NH3+])CN1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404306356 414777692 /nfs/dbraw/zinc/77/76/92/414777692.db2.gz FRFARHKHNHOIQA-CAOSSQGBSA-N 2 1 275.440 2.317 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CC1CCCC1)C1CC1 ZINC000653892615 414778124 /nfs/dbraw/zinc/77/81/24/414778124.db2.gz KWJLENYMJKQVBR-SJORKVTESA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CC1CCCC1)C1CC1 ZINC000653892615 414778128 /nfs/dbraw/zinc/77/81/28/414778128.db2.gz KWJLENYMJKQVBR-SJORKVTESA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1CC1CCCC1)C1CC1 ZINC000653892615 414778132 /nfs/dbraw/zinc/77/81/32/414778132.db2.gz KWJLENYMJKQVBR-SJORKVTESA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1CC1CCCC1)C1CC1 ZINC000653892615 414778136 /nfs/dbraw/zinc/77/81/36/414778136.db2.gz KWJLENYMJKQVBR-SJORKVTESA-N 2 1 280.456 2.486 20 0 CEADMP CC[C@@]1(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCC[NH2+]1 ZINC000662878117 414784445 /nfs/dbraw/zinc/78/44/45/414784445.db2.gz NUQYTSXSEMTTCR-YOEHRIQHSA-N 2 1 293.455 2.042 20 0 CEADMP CC(C)[NH+](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(C)C ZINC000400921944 414748339 /nfs/dbraw/zinc/74/83/39/414748339.db2.gz FZUVJBFSVAYSJW-OWCLPIDISA-N 3 1 267.461 2.083 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2c(C)cccc2C)C[C@H]1C[NH3+] ZINC000405721139 414797138 /nfs/dbraw/zinc/79/71/38/414797138.db2.gz UIMCBZQNNPMPMW-GDBMZVCRSA-N 2 1 262.397 2.099 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000312347953 414865192 /nfs/dbraw/zinc/86/51/92/414865192.db2.gz HPCUZKWILPFAKV-OAHLLOKOSA-N 2 1 293.842 2.128 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C[NH2+]C)cc1 ZINC000662966720 414813339 /nfs/dbraw/zinc/81/33/39/414813339.db2.gz UYPDIWLNQATNOH-AWEZNQCLSA-N 2 1 291.439 2.256 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC(C)(C)C1 ZINC000660452197 414826405 /nfs/dbraw/zinc/82/64/05/414826405.db2.gz CNZFXWXIYDAAQC-KGLIPLIRSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000660452197 414826409 /nfs/dbraw/zinc/82/64/09/414826409.db2.gz CNZFXWXIYDAAQC-KGLIPLIRSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000660452197 414826414 /nfs/dbraw/zinc/82/64/14/414826414.db2.gz CNZFXWXIYDAAQC-KGLIPLIRSA-N 2 1 256.434 2.198 20 0 CEADMP c1cc(CNCCC[NH+]2CCCCC2)n(-c2ccncc2)n1 ZINC000657296473 414840868 /nfs/dbraw/zinc/84/08/68/414840868.db2.gz VIIPTIOMTDSTDR-UHFFFAOYSA-N 3 1 299.422 2.233 20 0 CEADMP CCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1C ZINC000307977421 414854944 /nfs/dbraw/zinc/85/49/44/414854944.db2.gz YMCRRYBKUSEBSC-HOCLYGCPSA-N 2 1 276.428 2.081 20 0 CEADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657314234 414855469 /nfs/dbraw/zinc/85/54/69/414855469.db2.gz YMZWLLZUHYUPGO-GJZGRUSLSA-N 2 1 290.455 2.287 20 0 CEADMP CCC[N@H+]1CC[C@H](CNCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657324929 414860268 /nfs/dbraw/zinc/86/02/68/414860268.db2.gz IDVWVUNFACMMKN-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000312216434 414862444 /nfs/dbraw/zinc/86/24/44/414862444.db2.gz BTTRWIFSLROPMM-PBHICJAKSA-N 2 1 272.392 2.238 20 0 CEADMP c1ccc2c(c1)OCC[C@H]2C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000312216636 414863165 /nfs/dbraw/zinc/86/31/65/414863165.db2.gz BTTRWIFSLROPMM-WMLDXEAASA-N 2 1 272.392 2.238 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653110666 414908887 /nfs/dbraw/zinc/90/88/87/414908887.db2.gz QHGBRLDRQWCJHW-HOTGVXAUSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000660638786 414911336 /nfs/dbraw/zinc/91/13/36/414911336.db2.gz DHZUKFJJDKRYLI-KURKYZTESA-N 2 1 293.499 2.382 20 0 CEADMP COc1ccc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)nc1 ZINC000660656907 414919494 /nfs/dbraw/zinc/91/94/94/414919494.db2.gz BDVZOGMFJABQLP-MRXNPFEDSA-N 2 1 275.396 2.008 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)Cc1ccccc1)C2 ZINC000660663001 414923248 /nfs/dbraw/zinc/92/32/48/414923248.db2.gz MKWDXKLVKIYCNQ-MSOLQXFVSA-N 2 1 288.435 2.008 20 0 CEADMP CCC[NH+]1CCC(Nc2cc(CO)cc(C)[nH+]2)CC1 ZINC000663349859 414925068 /nfs/dbraw/zinc/92/50/68/414925068.db2.gz SYOMQLLUSAQIEB-UHFFFAOYSA-N 2 1 263.385 2.169 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)C1CCCCC1)C2 ZINC000660665488 414928479 /nfs/dbraw/zinc/92/84/79/414928479.db2.gz WLRKNFJPBXELCN-IRXDYDNUSA-N 2 1 280.456 2.345 20 0 CEADMP Cc1noc(C)c1[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000314455479 414870685 /nfs/dbraw/zinc/87/06/85/414870685.db2.gz GQXJEGFNGJOQJP-JTQLQIEISA-N 2 1 262.357 2.308 20 0 CEADMP C[NH+](C)CC[C@H]([NH2+]Cc1cnn2c1CCC2)C(C)(C)C ZINC000657364180 414886580 /nfs/dbraw/zinc/88/65/80/414886580.db2.gz WALHSVPGJXGUJF-HNNXBMFYSA-N 2 1 278.444 2.285 20 0 CEADMP CCCC[N@@H+](C)CCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657369303 414890079 /nfs/dbraw/zinc/89/00/79/414890079.db2.gz CSOUOMBFKJDNAD-UHFFFAOYSA-N 2 1 287.411 2.089 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657491105 414970242 /nfs/dbraw/zinc/97/02/42/414970242.db2.gz BUAOZRRMOCYRBD-CQSZACIVSA-N 2 1 276.428 2.115 20 0 CEADMP C[C@H](Nc1[nH+]ccc2[nH]ccc21)[C@H](C)[NH+]1CCOCC1 ZINC000663547319 414986538 /nfs/dbraw/zinc/98/65/38/414986538.db2.gz RPVMESXFZORMDA-RYUDHWBXSA-N 2 1 274.368 2.084 20 0 CEADMP CC[C@H](COCC1CC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657563405 415003268 /nfs/dbraw/zinc/00/32/68/415003268.db2.gz SWKVLBFLDAJTRW-OWCLPIDISA-N 2 1 266.429 2.408 20 0 CEADMP COCC[N@H+](CCCc1c[nH+]cn1C)C1CCCC1 ZINC000653505057 415017463 /nfs/dbraw/zinc/01/74/63/415017463.db2.gz WZAJYZCRFIUFKA-UHFFFAOYSA-N 2 1 265.401 2.244 20 0 CEADMP COCC[N@@H+](CCCc1c[nH+]cn1C)C1CCCC1 ZINC000653505057 415017467 /nfs/dbraw/zinc/01/74/67/415017467.db2.gz WZAJYZCRFIUFKA-UHFFFAOYSA-N 2 1 265.401 2.244 20 0 CEADMP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463599 414961246 /nfs/dbraw/zinc/96/12/46/414961246.db2.gz AJRAILCLZVVQGN-CABCVRRESA-N 2 1 266.429 2.266 20 0 CEADMP C([NH2+][C@@H]1CCCOCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470271 414965676 /nfs/dbraw/zinc/96/56/76/414965676.db2.gz UHYLVPNZKVYGJK-JKSUJKDBSA-N 2 1 266.429 2.267 20 0 CEADMP COCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663472213 414966669 /nfs/dbraw/zinc/96/66/69/414966669.db2.gz ZTAUGGSEWKZFHO-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000653597295 415049811 /nfs/dbraw/zinc/04/98/11/415049811.db2.gz KDUOHYIGFAALET-CVEARBPZSA-N 2 1 291.439 2.491 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000653597295 415049816 /nfs/dbraw/zinc/04/98/16/415049816.db2.gz KDUOHYIGFAALET-CVEARBPZSA-N 2 1 291.439 2.491 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCn2nccc21 ZINC000657830256 415096423 /nfs/dbraw/zinc/09/64/23/415096423.db2.gz GCCYJYZHTZDVBP-CYBMUJFWSA-N 2 1 250.390 2.038 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCn2nccc21 ZINC000657830256 415096426 /nfs/dbraw/zinc/09/64/26/415096426.db2.gz GCCYJYZHTZDVBP-CYBMUJFWSA-N 2 1 250.390 2.038 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C(C)(C)c1ccccc1 ZINC000653664596 415069491 /nfs/dbraw/zinc/06/94/91/415069491.db2.gz JLQZSZPHFKNLRZ-HNNXBMFYSA-N 2 1 264.413 2.166 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)(C)c1ccccc1 ZINC000653664596 415069493 /nfs/dbraw/zinc/06/94/93/415069493.db2.gz JLQZSZPHFKNLRZ-HNNXBMFYSA-N 2 1 264.413 2.166 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C(C)(C)c1ccccc1 ZINC000653664596 415069496 /nfs/dbraw/zinc/06/94/96/415069496.db2.gz JLQZSZPHFKNLRZ-HNNXBMFYSA-N 2 1 264.413 2.166 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)(C)c1ccccc1 ZINC000653664596 415069498 /nfs/dbraw/zinc/06/94/98/415069498.db2.gz JLQZSZPHFKNLRZ-HNNXBMFYSA-N 2 1 264.413 2.166 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000657776225 415075429 /nfs/dbraw/zinc/07/54/29/415075429.db2.gz BAMXUVMTUWDVJH-UHFFFAOYSA-N 2 1 299.365 2.178 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000657822957 415095209 /nfs/dbraw/zinc/09/52/09/415095209.db2.gz FPBCWDJNYDGSRZ-CQSZACIVSA-N 2 1 262.401 2.182 20 0 CEADMP CC[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)CN(C)CC ZINC000653556775 415031874 /nfs/dbraw/zinc/03/18/74/415031874.db2.gz ITQVOAKHGJXLNX-WBVHZDCISA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)CN(C)CC ZINC000653556775 415031877 /nfs/dbraw/zinc/03/18/77/415031877.db2.gz ITQVOAKHGJXLNX-WBVHZDCISA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000653556775 415031882 /nfs/dbraw/zinc/03/18/82/415031882.db2.gz ITQVOAKHGJXLNX-WBVHZDCISA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000653556775 415031887 /nfs/dbraw/zinc/03/18/87/415031887.db2.gz ITQVOAKHGJXLNX-WBVHZDCISA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@H]1c2ccccc2CC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000653556775 415031891 /nfs/dbraw/zinc/03/18/91/415031891.db2.gz ITQVOAKHGJXLNX-WBVHZDCISA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@H]1c2ccccc2CC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000653556775 415031895 /nfs/dbraw/zinc/03/18/95/415031895.db2.gz ITQVOAKHGJXLNX-WBVHZDCISA-N 2 1 276.424 2.308 20 0 CEADMP CCCCC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000653570988 415039682 /nfs/dbraw/zinc/03/96/82/415039682.db2.gz NTDHGBLZGCNQSX-LSDHHAIUSA-N 2 1 256.434 2.344 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2(OC)CCC2)C1 ZINC000657845303 415102723 /nfs/dbraw/zinc/10/27/23/415102723.db2.gz MWTWGTBZVPSCQA-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP COC1([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CCC1 ZINC000657993049 415145750 /nfs/dbraw/zinc/14/57/50/415145750.db2.gz VQGWVUJABNOXJX-LSDHHAIUSA-N 2 1 284.444 2.035 20 0 CEADMP COC1([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CCC1 ZINC000657993049 415145758 /nfs/dbraw/zinc/14/57/58/415145758.db2.gz VQGWVUJABNOXJX-LSDHHAIUSA-N 2 1 284.444 2.035 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000655273723 415166571 /nfs/dbraw/zinc/16/65/71/415166571.db2.gz MPOGTOFXNCQCJF-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000658063441 415184422 /nfs/dbraw/zinc/18/44/22/415184422.db2.gz VPFYIZQDBQWHBG-FZKCQIBNSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000658063441 415184429 /nfs/dbraw/zinc/18/44/29/415184429.db2.gz VPFYIZQDBQWHBG-FZKCQIBNSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000658063441 415184440 /nfs/dbraw/zinc/18/44/40/415184440.db2.gz VPFYIZQDBQWHBG-FZKCQIBNSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000658063441 415184447 /nfs/dbraw/zinc/18/44/47/415184447.db2.gz VPFYIZQDBQWHBG-FZKCQIBNSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000658063441 415184455 /nfs/dbraw/zinc/18/44/55/415184455.db2.gz VPFYIZQDBQWHBG-FZKCQIBNSA-N 2 1 279.472 2.322 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cn1 ZINC000044494418 175181906 /nfs/dbraw/zinc/18/19/06/175181906.db2.gz YCVHWSZGRLVHNH-LBPRGKRZSA-N 2 1 252.406 2.141 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(F)F)[C@H]2CCC[C@@H]21 ZINC000658222489 415261337 /nfs/dbraw/zinc/26/13/37/415261337.db2.gz OTFLVRAPHIVOEE-VOAKCMCISA-N 2 1 258.356 2.494 20 0 CEADMP CO[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCC1 ZINC000658318763 415316630 /nfs/dbraw/zinc/31/66/30/415316630.db2.gz WLCSCTHXBHHCTH-DLBZAZTESA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C[NH2+]C)C2)CCO1 ZINC000347017074 287303242 /nfs/dbraw/zinc/30/32/42/287303242.db2.gz DGVPFEHVZDCGKL-QLFBSQMISA-N 2 1 254.418 2.123 20 0 CEADMP Cc1cccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655713393 415403556 /nfs/dbraw/zinc/40/35/56/415403556.db2.gz LBQXKEIFMFPGIV-GOSISDBHSA-N 2 1 288.435 2.380 20 0 CEADMP CC(C)(C)C[C@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655728490 415416219 /nfs/dbraw/zinc/41/62/19/415416219.db2.gz VLTMVGXVMGQDMP-JKSUJKDBSA-N 2 1 298.471 2.017 20 0 CEADMP CC(C)(C)C[C@@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655735799 415423236 /nfs/dbraw/zinc/42/32/36/415423236.db2.gz YQANICMOSUASTK-JKSUJKDBSA-N 2 1 298.471 2.017 20 0 CEADMP Cc1cc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc[nH+]1 ZINC000664677595 415449057 /nfs/dbraw/zinc/44/90/57/415449057.db2.gz BVVLLZWIOFSIPK-OAHLLOKOSA-N 2 1 259.397 2.346 20 0 CEADMP Cc1c[nH+]ccc1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664679284 415450310 /nfs/dbraw/zinc/45/03/10/415450310.db2.gz VLQJYMHCFNXOLC-HNNXBMFYSA-N 2 1 259.397 2.346 20 0 CEADMP CC(F)(F)CCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655771449 415452540 /nfs/dbraw/zinc/45/25/40/415452540.db2.gz LFWRGIYYJJRZAO-ZDUSSCGKSA-N 2 1 276.371 2.265 20 0 CEADMP CCC1([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655772376 415452582 /nfs/dbraw/zinc/45/25/82/415452582.db2.gz FNGXALDWHLPNJV-CQSZACIVSA-N 2 1 252.402 2.162 20 0 CEADMP CCC[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)OC ZINC000655771854 415452916 /nfs/dbraw/zinc/45/29/16/415452916.db2.gz PMNRHJVHXMVQIG-HZPDHXFCSA-N 2 1 284.444 2.035 20 0 CEADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1C1CCC1 ZINC000655776344 415456735 /nfs/dbraw/zinc/45/67/35/415456735.db2.gz GQXKUNIGIXHVMO-UAGQMJEPSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H](C)O1 ZINC000655777064 415458398 /nfs/dbraw/zinc/45/83/98/415458398.db2.gz QXNDRVIINSJNHZ-KCYZZUKISA-N 2 1 296.455 2.033 20 0 CEADMP c1nc2ccccn2c1C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000664862020 415502721 /nfs/dbraw/zinc/50/27/21/415502721.db2.gz ITUAEIGJEXBNKQ-UHFFFAOYSA-N 2 1 267.336 2.006 20 0 CEADMP c1nc2ccccn2c1C[N@H+]1CCCc2n[nH]cc2C1 ZINC000664862020 415502723 /nfs/dbraw/zinc/50/27/23/415502723.db2.gz ITUAEIGJEXBNKQ-UHFFFAOYSA-N 2 1 267.336 2.006 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655848182 415514904 /nfs/dbraw/zinc/51/49/04/415514904.db2.gz GQCOEIMJMRIYNJ-SJORKVTESA-N 2 1 279.472 2.467 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCCCO1 ZINC000655850652 415520776 /nfs/dbraw/zinc/52/07/76/415520776.db2.gz YGWZQEKSHPIHSO-LJISPDSOSA-N 2 1 254.418 2.406 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCCCO1 ZINC000655850652 415520784 /nfs/dbraw/zinc/52/07/84/415520784.db2.gz YGWZQEKSHPIHSO-LJISPDSOSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H]1CC[N@@H+](CCc2noc3ccccc32)C[C@H]1C[NH3+] ZINC000655940088 415558367 /nfs/dbraw/zinc/55/83/67/415558367.db2.gz PBCWIRQYSDWPRL-CHWSQXEVSA-N 2 1 273.380 2.287 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2ccccc2F)C1 ZINC000070174681 175878706 /nfs/dbraw/zinc/87/87/06/175878706.db2.gz QDTXCZISHNOYDK-QWHCGFSZSA-N 2 1 266.360 2.264 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccccc2F)C1 ZINC000070174681 175878707 /nfs/dbraw/zinc/87/87/07/175878707.db2.gz QDTXCZISHNOYDK-QWHCGFSZSA-N 2 1 266.360 2.264 20 0 CEADMP Cc1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)nc2c1 ZINC000656193040 415625402 /nfs/dbraw/zinc/62/54/02/415625402.db2.gz JWPRZDNZRFSVQT-NWDGAFQWSA-N 2 1 258.369 2.231 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)[nH]c2c1 ZINC000656193040 415625409 /nfs/dbraw/zinc/62/54/09/415625409.db2.gz JWPRZDNZRFSVQT-NWDGAFQWSA-N 2 1 258.369 2.231 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc2c(c1)OCO2 ZINC000665249325 415648420 /nfs/dbraw/zinc/64/84/20/415648420.db2.gz NMHFNJOUEVUXDP-NSHDSACASA-N 2 1 262.353 2.337 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCO1 ZINC000665251204 415649720 /nfs/dbraw/zinc/64/97/20/415649720.db2.gz JXFPFTLLONAQJU-MWQQHZPXSA-N 2 1 274.408 2.289 20 0 CEADMP C[C@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000665251646 415650051 /nfs/dbraw/zinc/65/00/51/415650051.db2.gz VIVWLRLFMVOFLE-IAAVTCLWSA-N 2 1 299.462 2.347 20 0 CEADMP C[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254668 415654375 /nfs/dbraw/zinc/65/43/75/415654375.db2.gz WMWREUVQSIUQIR-NKKGCODLSA-N 2 1 292.398 2.286 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CC1CCC1 ZINC000662157524 415662621 /nfs/dbraw/zinc/66/26/21/415662621.db2.gz PSXSNRHFASWILW-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000662157524 415662624 /nfs/dbraw/zinc/66/26/24/415662624.db2.gz PSXSNRHFASWILW-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000662157524 415662628 /nfs/dbraw/zinc/66/26/28/415662628.db2.gz PSXSNRHFASWILW-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP CO[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)C1CCCC1 ZINC000665275287 415667566 /nfs/dbraw/zinc/66/75/66/415667566.db2.gz GOBSRJZIAGRRNH-IAQYHMDHSA-N 2 1 263.385 2.350 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)n1C ZINC000656270751 415669526 /nfs/dbraw/zinc/66/95/26/415669526.db2.gz HYKVZQAZGKSBQW-OAHLLOKOSA-N 2 1 292.427 2.020 20 0 CEADMP CN(C)c1ncc(CN2CCC[C@@H](OC3CCC3)C2)n1C ZINC000656270751 415669532 /nfs/dbraw/zinc/66/95/32/415669532.db2.gz HYKVZQAZGKSBQW-OAHLLOKOSA-N 2 1 292.427 2.020 20 0 CEADMP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662261770 415729877 /nfs/dbraw/zinc/72/98/77/415729877.db2.gz AOEQFLHYFGLPFE-INIZCTEOSA-N 3 1 299.462 2.250 20 0 CEADMP c1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662261770 415729882 /nfs/dbraw/zinc/72/98/82/415729882.db2.gz AOEQFLHYFGLPFE-INIZCTEOSA-N 2 1 299.462 2.250 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000662266823 415732163 /nfs/dbraw/zinc/73/21/63/415732163.db2.gz PIGQDHAAVRRBME-JKSUJKDBSA-N 2 1 266.429 2.267 20 0 CEADMP C[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249863 415709343 /nfs/dbraw/zinc/70/93/43/415709343.db2.gz SSLOTJJNMJMSPJ-AWEZNQCLSA-N 2 1 280.799 2.293 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2CCCCC2(C)C)CCO1 ZINC000662248092 415709790 /nfs/dbraw/zinc/70/97/90/415709790.db2.gz SRWLMLPQYUQLIP-MJBXVCDLSA-N 2 1 254.418 2.251 20 0 CEADMP CCCCC[N@@H+](CCO)Cc1cccc2c1CC[NH2+]C2 ZINC000662248909 415710257 /nfs/dbraw/zinc/71/02/57/415710257.db2.gz LNPZHIWJFRYDGI-UHFFFAOYSA-N 2 1 276.424 2.317 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC2CC=CC2)CC1 ZINC000659862950 415740014 /nfs/dbraw/zinc/74/00/14/415740014.db2.gz GISMQJBZOVLTFO-CALCHBBNSA-N 2 1 291.483 2.443 20 0 CEADMP CC(C)=CCC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000662274372 415740211 /nfs/dbraw/zinc/74/02/11/415740211.db2.gz SLIWOQGTBUMLBQ-AWEZNQCLSA-N 2 1 252.402 2.030 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)C1CCCCC1 ZINC000662274602 415742327 /nfs/dbraw/zinc/74/23/27/415742327.db2.gz XRJPTEQCUXNVOO-HUUCEWRRSA-N 2 1 254.418 2.252 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)C1CCCCC1 ZINC000662274601 415742962 /nfs/dbraw/zinc/74/29/62/415742962.db2.gz XRJPTEQCUXNVOO-GJZGRUSLSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000656499975 415743495 /nfs/dbraw/zinc/74/34/95/415743495.db2.gz LUTLWGRGYOMQFE-RDTXWAMCSA-N 2 1 288.435 2.367 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCOCc1ccccc1 ZINC000662278482 415746443 /nfs/dbraw/zinc/74/64/43/415746443.db2.gz YEGILCQALCLFRB-YCPHGPKFSA-N 2 1 262.397 2.179 20 0 CEADMP c1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c2c(c1)C[NH2+]CC2 ZINC000662277954 415746590 /nfs/dbraw/zinc/74/65/90/415746590.db2.gz YMIFNCXWDAAPQC-LPHOPBHVSA-N 3 1 299.462 2.296 20 0 CEADMP c1cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c2c(c1)C[NH2+]CC2 ZINC000662277954 415746594 /nfs/dbraw/zinc/74/65/94/415746594.db2.gz YMIFNCXWDAAPQC-LPHOPBHVSA-N 2 1 299.462 2.296 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000662278196 415746911 /nfs/dbraw/zinc/74/69/11/415746911.db2.gz XNHCDYNCFGBSKI-IRXDYDNUSA-N 2 1 274.408 2.450 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC000659868362 415748515 /nfs/dbraw/zinc/74/85/15/415748515.db2.gz ZWFSJAWBGDZFKV-SJORKVTESA-N 2 1 298.471 2.092 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662271994 415738490 /nfs/dbraw/zinc/73/84/90/415738490.db2.gz AYHDMIBBSZLCOS-HOTGVXAUSA-N 2 1 290.455 2.064 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662271994 415738496 /nfs/dbraw/zinc/73/84/96/415738496.db2.gz AYHDMIBBSZLCOS-HOTGVXAUSA-N 3 1 290.455 2.064 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662271994 415738499 /nfs/dbraw/zinc/73/84/99/415738499.db2.gz AYHDMIBBSZLCOS-HOTGVXAUSA-N 3 1 290.455 2.064 20 0 CEADMP C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000662301282 415765746 /nfs/dbraw/zinc/76/57/46/415765746.db2.gz QOTNIRKDJWMQSF-HOCLYGCPSA-N 2 1 268.445 2.249 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000662310061 415771807 /nfs/dbraw/zinc/77/18/07/415771807.db2.gz GSUBDIYIILCCHH-ZDUSSCGKSA-N 2 1 260.381 2.053 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310364 415772820 /nfs/dbraw/zinc/77/28/20/415772820.db2.gz RFYSZURKFXZWPC-CALCHBBNSA-N 2 1 289.423 2.245 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310364 415772824 /nfs/dbraw/zinc/77/28/24/415772824.db2.gz RFYSZURKFXZWPC-CALCHBBNSA-N 2 1 289.423 2.245 20 0 CEADMP Cc1noc([C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662290321 415754888 /nfs/dbraw/zinc/75/48/88/415754888.db2.gz CCGACIROVZYHOZ-RISCZKNCSA-N 2 1 278.400 2.151 20 0 CEADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000662296897 415758908 /nfs/dbraw/zinc/75/89/08/415758908.db2.gz WLEQVZKMWWHAJF-HNNXBMFYSA-N 2 1 262.397 2.416 20 0 CEADMP c1c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nn2c1CCC2 ZINC000662294620 415759486 /nfs/dbraw/zinc/75/94/86/415759486.db2.gz RIYLSOBZWXOPGO-OAHLLOKOSA-N 2 1 288.439 2.041 20 0 CEADMP CCC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000659999799 415841091 /nfs/dbraw/zinc/84/10/91/415841091.db2.gz HMQCHLZGGKQSCB-LSDHHAIUSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000659999799 415841094 /nfs/dbraw/zinc/84/10/94/415841094.db2.gz HMQCHLZGGKQSCB-LSDHHAIUSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000659999799 415841098 /nfs/dbraw/zinc/84/10/98/415841098.db2.gz HMQCHLZGGKQSCB-LSDHHAIUSA-N 2 1 256.434 2.200 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000659949291 415800932 /nfs/dbraw/zinc/80/09/32/415800932.db2.gz SIFYFWSZLMLQOI-IXDOHACOSA-N 2 1 281.488 2.238 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN(C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000659949291 415800938 /nfs/dbraw/zinc/80/09/38/415800938.db2.gz SIFYFWSZLMLQOI-IXDOHACOSA-N 2 1 281.488 2.238 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN(C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000659949291 415800943 /nfs/dbraw/zinc/80/09/43/415800943.db2.gz SIFYFWSZLMLQOI-IXDOHACOSA-N 2 1 281.488 2.238 20 0 CEADMP CO[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CCC1 ZINC000659946133 415801595 /nfs/dbraw/zinc/80/15/95/415801595.db2.gz DJRABGXISSLYNX-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C1CCC1 ZINC000659946133 415801602 /nfs/dbraw/zinc/80/16/02/415801602.db2.gz DJRABGXISSLYNX-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000659946133 415801607 /nfs/dbraw/zinc/80/16/07/415801607.db2.gz DJRABGXISSLYNX-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)C1 ZINC000660074321 415871879 /nfs/dbraw/zinc/87/18/79/415871879.db2.gz MQSBXDIVQNRQNT-XDNAFOTISA-N 2 1 291.483 2.134 20 0 CEADMP c1cc(C[NH+]2CCCCC2)ccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000662517479 415872285 /nfs/dbraw/zinc/87/22/85/415872285.db2.gz GMASRDBKHLJHSO-RTBURBONSA-N 2 1 299.462 2.324 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000662592260 415896572 /nfs/dbraw/zinc/89/65/72/415896572.db2.gz INAKRFPMYQJKLM-CPUCHLNUSA-N 2 1 295.471 2.131 20 0 CEADMP CO[C@H](C[NH+]1CCC2(CCC[N@H+]2C)CC1)C1CCC1 ZINC000660167231 415912322 /nfs/dbraw/zinc/91/23/22/415912322.db2.gz MZUGIZOELSJANY-OAHLLOKOSA-N 2 1 266.429 2.362 20 0 CEADMP Cc1[nH+]ccn1CCCCNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662472666 415855624 /nfs/dbraw/zinc/85/56/24/415855624.db2.gz CSEUPHRHIQPJQD-HNNXBMFYSA-N 2 1 294.443 2.099 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662731832 415947323 /nfs/dbraw/zinc/94/73/23/415947323.db2.gz CKHCYROPWSHUDZ-AWEZNQCLSA-N 2 1 293.455 2.029 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccnn3C)CC2)[nH+]c1 ZINC000192894934 227343536 /nfs/dbraw/zinc/34/35/36/227343536.db2.gz XKCMAEKANXYSSZ-AWEZNQCLSA-N 2 1 299.422 2.443 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC000666770388 419425197 /nfs/dbraw/zinc/42/51/97/419425197.db2.gz XVFHTHUFTMYFEJ-HOTGVXAUSA-N 2 1 274.408 2.284 20 0 CEADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CCC[NH2+]CC3)CCN2)cc1 ZINC000666858950 419451221 /nfs/dbraw/zinc/45/12/21/419451221.db2.gz MTASHLNBSNWVSS-ULQDDVLXSA-N 2 1 273.424 2.211 20 0 CEADMP c1ccc(C2CC2)c(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000666965287 419496589 /nfs/dbraw/zinc/49/65/89/419496589.db2.gz LWKCQPPWKYKNRK-HNNXBMFYSA-N 2 1 260.381 2.032 20 0 CEADMP CCCn1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000666996756 419505676 /nfs/dbraw/zinc/50/56/76/419505676.db2.gz DHGOKWMONVTKED-CQSZACIVSA-N 2 1 262.401 2.057 20 0 CEADMP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H]1CCSC1 ZINC000667499721 419699976 /nfs/dbraw/zinc/69/99/76/419699976.db2.gz SWNCZGGAHYVTCJ-AWEZNQCLSA-N 2 1 274.393 2.205 20 0 CEADMP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CCSC1 ZINC000667499722 419700710 /nfs/dbraw/zinc/70/07/10/419700710.db2.gz SWNCZGGAHYVTCJ-CQSZACIVSA-N 2 1 274.393 2.205 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCc3ccc(O)cc3CC2)CC[NH2+]1 ZINC000666689625 419778220 /nfs/dbraw/zinc/77/82/20/419778220.db2.gz WRQTWETXLMERBV-UONOGXRCSA-N 2 1 274.408 2.181 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000666689555 419778598 /nfs/dbraw/zinc/77/85/98/419778598.db2.gz BPGQIOJWDMLEOV-OAHLLOKOSA-N 2 1 262.397 2.166 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000666689555 419778606 /nfs/dbraw/zinc/77/86/06/419778606.db2.gz BPGQIOJWDMLEOV-OAHLLOKOSA-N 2 1 262.397 2.166 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cccc(C[NH3+])c2)C[C@H]1C ZINC000667724014 419782181 /nfs/dbraw/zinc/78/21/81/419782181.db2.gz SCFBYHWEJHSWHA-CHWSQXEVSA-N 2 1 290.411 2.092 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2cccc(C[NH3+])c2)C[C@@H]1C ZINC000667724017 419783491 /nfs/dbraw/zinc/78/34/91/419783491.db2.gz SCFBYHWEJHSWHA-STQMWFEESA-N 2 1 290.411 2.092 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000449131804 260237353 /nfs/dbraw/zinc/23/73/53/260237353.db2.gz PSFJITCCGYYJHN-HZSPNIEDSA-N 2 1 256.459 2.448 20 0 CEADMP COc1cc(C)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000449034204 261116094 /nfs/dbraw/zinc/11/60/94/261116094.db2.gz IQKNNMQDNYSTCM-AWEZNQCLSA-N 2 1 262.397 2.387 20 0 CEADMP COc1cc(C)ccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000449034204 261116095 /nfs/dbraw/zinc/11/60/95/261116095.db2.gz IQKNNMQDNYSTCM-AWEZNQCLSA-N 2 1 262.397 2.387 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC([NH+]2CCCC2)CC1 ZINC000161647690 261255369 /nfs/dbraw/zinc/25/53/69/261255369.db2.gz BNQKPKGMOMSIMJ-HNNXBMFYSA-N 2 1 265.445 2.031 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390521463 262205834 /nfs/dbraw/zinc/20/58/34/262205834.db2.gz GQRPZMJCVMPESJ-BZSNNMDCSA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390521463 262205836 /nfs/dbraw/zinc/20/58/36/262205836.db2.gz GQRPZMJCVMPESJ-BZSNNMDCSA-N 2 1 287.451 2.368 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(CF)CCOCC1 ZINC000453313050 263228470 /nfs/dbraw/zinc/22/84/70/263228470.db2.gz RSXSZHLTRJSJHL-MGPQQGTHSA-N 2 1 272.408 2.071 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(CF)CCOCC1 ZINC000453313590 263228474 /nfs/dbraw/zinc/22/84/74/263228474.db2.gz RSXSZHLTRJSJHL-RDBSUJKOSA-N 2 1 272.408 2.071 20 0 CEADMP CCOC[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000453418664 263272068 /nfs/dbraw/zinc/27/20/68/263272068.db2.gz ZPZLHPIVEVJCJC-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CCOC[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000453418664 263272069 /nfs/dbraw/zinc/27/20/69/263272069.db2.gz ZPZLHPIVEVJCJC-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CCOC[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000453418664 263272072 /nfs/dbraw/zinc/27/20/72/263272072.db2.gz ZPZLHPIVEVJCJC-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000430585288 263327831 /nfs/dbraw/zinc/32/78/31/263327831.db2.gz QIKJWONNKAOFSQ-QXSJWSMHSA-N 2 1 297.487 2.185 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000430585288 263327834 /nfs/dbraw/zinc/32/78/34/263327834.db2.gz QIKJWONNKAOFSQ-QXSJWSMHSA-N 2 1 297.487 2.185 20 0 CEADMP CO[C@H](C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)C1CC1 ZINC000425424306 264313582 /nfs/dbraw/zinc/31/35/82/264313582.db2.gz WSAQKPUQRDRCEQ-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@H](C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000425424306 264313583 /nfs/dbraw/zinc/31/35/83/264313583.db2.gz WSAQKPUQRDRCEQ-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@H](C[NH+](C)CC[C@H]1CCCC[N@H+]1C)C1CC1 ZINC000425424306 264313584 /nfs/dbraw/zinc/31/35/84/264313584.db2.gz WSAQKPUQRDRCEQ-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP CCN(C(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)C1CCCCC1 ZINC000163847417 270238466 /nfs/dbraw/zinc/23/84/66/270238466.db2.gz PZAYHJHWZFYNON-HUUCEWRRSA-N 2 1 295.471 2.084 20 0 CEADMP CCN(C(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)C1CCCCC1 ZINC000163847417 270238468 /nfs/dbraw/zinc/23/84/68/270238468.db2.gz PZAYHJHWZFYNON-HUUCEWRRSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000397411524 270354372 /nfs/dbraw/zinc/35/43/72/270354372.db2.gz WAOQZCWHINAVGC-KFWWJZLASA-N 2 1 262.397 2.371 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CCC[C@H]2[NH3+])C1 ZINC000422735188 270745518 /nfs/dbraw/zinc/74/55/18/270745518.db2.gz DMTDRXKZCBCAKF-XBVQOTNRSA-N 2 1 273.424 2.291 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000422735188 270745520 /nfs/dbraw/zinc/74/55/20/270745520.db2.gz DMTDRXKZCBCAKF-XBVQOTNRSA-N 2 1 273.424 2.291 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422762582 270756764 /nfs/dbraw/zinc/75/67/64/270756764.db2.gz IJENSSWBVMQIPI-PMPSAXMXSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422762582 270756765 /nfs/dbraw/zinc/75/67/65/270756765.db2.gz IJENSSWBVMQIPI-PMPSAXMXSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422762582 270756766 /nfs/dbraw/zinc/75/67/66/270756766.db2.gz IJENSSWBVMQIPI-PMPSAXMXSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000422868105 270795383 /nfs/dbraw/zinc/79/53/83/270795383.db2.gz UKUIMDXTHXARAG-WCVJEAGWSA-N 2 1 267.461 2.227 20 0 CEADMP CC[NH+](CC)[C@H](CN[C@H](C)C[C@H](C)[NH3+])c1ccco1 ZINC000422975366 270811510 /nfs/dbraw/zinc/81/15/10/270811510.db2.gz SPWNYAKDCJHBRE-BFHYXJOUSA-N 2 1 267.417 2.378 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000423015031 270819487 /nfs/dbraw/zinc/81/94/87/270819487.db2.gz QFCIBLBHOYRYMR-GRYCIOLGSA-N 2 1 282.350 2.200 20 0 CEADMP C1CC12CCC([NH2+][C@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CC2 ZINC000423070795 270827954 /nfs/dbraw/zinc/82/79/54/270827954.db2.gz DMKQPTKGFXOTAN-OWCLPIDISA-N 2 1 278.440 2.456 20 0 CEADMP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423118561 270841106 /nfs/dbraw/zinc/84/11/06/270841106.db2.gz BELOVHGPCYBFMU-JVLSTEMRSA-N 2 1 264.344 2.379 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423261142 270883652 /nfs/dbraw/zinc/88/36/52/270883652.db2.gz JFUQDRQTNRRXEQ-CABCVRRESA-N 2 1 276.428 2.295 20 0 CEADMP C[C@@H]1C[C@H](N(C)C[C@H](C[NH3+])c2ccc(F)cc2)CC[N@H+]1C ZINC000424305480 271042270 /nfs/dbraw/zinc/04/22/70/271042270.db2.gz SLAVYTDBRFLMRU-UKPHBRMFSA-N 2 1 293.430 2.283 20 0 CEADMP COC(=O)CC1CC([NH2+]CC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000424321555 271044399 /nfs/dbraw/zinc/04/43/99/271044399.db2.gz UMMZVUPNPUBSBD-LMRVLLHPSA-N 2 1 282.428 2.181 20 0 CEADMP CCN(CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CCC(F)(F)F ZINC000426062398 271196723 /nfs/dbraw/zinc/19/67/23/271196723.db2.gz PKSOVRNYORIEIF-OLZOCXBDSA-N 2 1 295.393 2.333 20 0 CEADMP COCC(C)(C)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000426395716 271218082 /nfs/dbraw/zinc/21/80/82/271218082.db2.gz KSQSFQAPNJLRFQ-OAHLLOKOSA-N 2 1 268.445 2.467 20 0 CEADMP COCC(C)(C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000426409849 271219606 /nfs/dbraw/zinc/21/96/06/271219606.db2.gz GTQDXORTRUNEPW-UONOGXRCSA-N 2 1 254.418 2.075 20 0 CEADMP COCC(C)(C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000426409849 271219611 /nfs/dbraw/zinc/21/96/11/271219611.db2.gz GTQDXORTRUNEPW-UONOGXRCSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)NCC1CCCCC1 ZINC000430572830 271392068 /nfs/dbraw/zinc/39/20/68/271392068.db2.gz PCQZFUNJTCFORG-INIZCTEOSA-N 2 1 297.487 2.378 20 0 CEADMP CO[C@H](C)C[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000348836790 274074120 /nfs/dbraw/zinc/07/41/20/274074120.db2.gz YCNLJMUYNUAFBI-GFCCVEGCSA-N 2 1 274.368 2.042 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000290249402 274340729 /nfs/dbraw/zinc/34/07/29/274340729.db2.gz JTXVBNMJPPGQFY-HGTKMLMNSA-N 2 1 274.408 2.481 20 0 CEADMP O[C@@H](C[NH2+][C@H]1CCc2cc(Cl)ccc21)C[NH+]1CCCC1 ZINC000299161376 275052598 /nfs/dbraw/zinc/05/25/98/275052598.db2.gz LBRZHSVGTQYOIN-HOCLYGCPSA-N 2 1 294.826 2.374 20 0 CEADMP c1ccc2c(c1)CC([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000130202937 275069258 /nfs/dbraw/zinc/06/92/58/275069258.db2.gz GYGFLJLDXUMKFU-NVXWUHKLSA-N 2 1 256.393 2.370 20 0 CEADMP C([NH2+][C@@H]1CCCC12CCOCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000312412961 275395146 /nfs/dbraw/zinc/39/51/46/275395146.db2.gz NWTWXJNRMMTHES-GOEBONIOSA-N 2 1 278.440 2.410 20 0 CEADMP C([C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1)[NH+]1CCCCC1 ZINC000336799847 275396736 /nfs/dbraw/zinc/39/67/36/275396736.db2.gz KFGAACROOAJZDT-JKSUJKDBSA-N 2 1 266.429 2.221 20 0 CEADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CCC[C@H]3N)CC2)CC1 ZINC000335018342 275935976 /nfs/dbraw/zinc/93/59/76/275935976.db2.gz FSMJFCCABOERNY-BACDZXNISA-N 2 1 279.472 2.499 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1(C)C ZINC000185204670 275971918 /nfs/dbraw/zinc/97/19/18/275971918.db2.gz PVNCACOHBJBSRJ-HZPDHXFCSA-N 2 1 298.471 2.015 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000349142752 276009750 /nfs/dbraw/zinc/00/97/50/276009750.db2.gz KHCYACFLGBWZJM-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+](CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1)C1CC1 ZINC000261573186 276131700 /nfs/dbraw/zinc/13/17/00/276131700.db2.gz UYWWVJVRUZPHTC-LSDHHAIUSA-N 2 1 267.461 2.371 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000252782191 276175345 /nfs/dbraw/zinc/17/53/45/276175345.db2.gz NGOPHNSWOZEWNR-KCXAZCMYSA-N 2 1 259.397 2.205 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000188557810 276248027 /nfs/dbraw/zinc/24/80/27/276248027.db2.gz ZTUIAKXYKXNYDA-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000188557810 276248028 /nfs/dbraw/zinc/24/80/28/276248028.db2.gz ZTUIAKXYKXNYDA-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000188557810 276248029 /nfs/dbraw/zinc/24/80/29/276248029.db2.gz ZTUIAKXYKXNYDA-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000019914738 276325884 /nfs/dbraw/zinc/32/58/84/276325884.db2.gz ILJTWGMTMVIOBB-CQSZACIVSA-N 3 1 255.450 2.181 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000188557587 276332348 /nfs/dbraw/zinc/33/23/48/276332348.db2.gz JHCQYVOIDKRHSS-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(NC(C)=O)cc1 ZINC000289556813 276343286 /nfs/dbraw/zinc/34/32/86/276343286.db2.gz YFYDTGSPMCLAOX-UHFFFAOYSA-N 2 1 277.412 2.419 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(NC(C)=O)cc1 ZINC000289556813 276343287 /nfs/dbraw/zinc/34/32/87/276343287.db2.gz YFYDTGSPMCLAOX-UHFFFAOYSA-N 2 1 277.412 2.419 20 0 CEADMP CCN(CCC[NH+]1CCCC1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000351789965 276343598 /nfs/dbraw/zinc/34/35/98/276343598.db2.gz MWJNTOMEORQFCV-IYBDPMFKSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC(C)C)[C@@H](C)C1 ZINC000336783581 276394060 /nfs/dbraw/zinc/39/40/60/276394060.db2.gz BTYHGLJCSQTCLL-LSDHHAIUSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC(C)C)[C@@H](C)C1 ZINC000336783581 276394062 /nfs/dbraw/zinc/39/40/62/276394062.db2.gz BTYHGLJCSQTCLL-LSDHHAIUSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC(C)C)[C@@H](C)C1 ZINC000336783581 276394063 /nfs/dbraw/zinc/39/40/63/276394063.db2.gz BTYHGLJCSQTCLL-LSDHHAIUSA-N 2 1 256.434 2.321 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000360964680 277031246 /nfs/dbraw/zinc/03/12/46/277031246.db2.gz WSEAKDSNDKJKJI-OFQRWUPVSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000368783044 277061467 /nfs/dbraw/zinc/06/14/67/277061467.db2.gz IEALWJQFLDPAGT-KDOFPFPSSA-N 2 1 299.418 2.067 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000368783044 277061468 /nfs/dbraw/zinc/06/14/68/277061468.db2.gz IEALWJQFLDPAGT-KDOFPFPSSA-N 2 1 299.418 2.067 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000368783044 277061469 /nfs/dbraw/zinc/06/14/69/277061469.db2.gz IEALWJQFLDPAGT-KDOFPFPSSA-N 2 1 299.418 2.067 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@@H]1C ZINC000353927397 277065897 /nfs/dbraw/zinc/06/58/97/277065897.db2.gz INFHUGJZERSCOX-CWVYHPPDSA-N 2 1 294.439 2.181 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H]1C ZINC000353927397 277065899 /nfs/dbraw/zinc/06/58/99/277065899.db2.gz INFHUGJZERSCOX-CWVYHPPDSA-N 2 1 294.439 2.181 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@@H+]([C@@H]3C=CCCC3)C2)CC1 ZINC000245525449 277111826 /nfs/dbraw/zinc/11/18/26/277111826.db2.gz OGKSMMCSNXUSRG-SJORKVTESA-N 2 1 277.456 2.197 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@H+]([C@@H]3C=CCCC3)C2)CC1 ZINC000245525449 277111827 /nfs/dbraw/zinc/11/18/27/277111827.db2.gz OGKSMMCSNXUSRG-SJORKVTESA-N 2 1 277.456 2.197 20 0 CEADMP COC1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000129984827 277193233 /nfs/dbraw/zinc/19/32/33/277193233.db2.gz PWPAUMQBPSCLIK-UHFFFAOYSA-N 2 1 252.402 2.160 20 0 CEADMP COCC1(CC[NH2+]Cc2c[nH+]ccc2N(C)C)CCC1 ZINC000339456780 277198570 /nfs/dbraw/zinc/19/85/70/277198570.db2.gz DLFHNEPQWHBDCI-UHFFFAOYSA-N 2 1 277.412 2.444 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000347120891 277283331 /nfs/dbraw/zinc/28/33/31/277283331.db2.gz ZAEOCDSWIGTKPF-CYBMUJFWSA-N 2 1 285.391 2.372 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1(C)C ZINC000353533950 277312473 /nfs/dbraw/zinc/31/24/73/277312473.db2.gz YIMDMMPRQSBZQI-VYDRJRHOSA-N 2 1 266.429 2.262 20 0 CEADMP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000361007913 277323761 /nfs/dbraw/zinc/32/37/61/277323761.db2.gz IZRPLGPFRGCNGW-CVEARBPZSA-N 2 1 268.445 2.415 20 0 CEADMP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000361007913 277323762 /nfs/dbraw/zinc/32/37/62/277323762.db2.gz IZRPLGPFRGCNGW-CVEARBPZSA-N 2 1 268.445 2.415 20 0 CEADMP CC(C)=CC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375891338 277325162 /nfs/dbraw/zinc/32/51/62/277325162.db2.gz QGKIBYRNIBBLGW-INIZCTEOSA-N 2 1 265.445 2.053 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000248549597 278188984 /nfs/dbraw/zinc/18/89/84/278188984.db2.gz HKXRTTIKYXPNNO-PMPSAXMXSA-N 2 1 279.472 2.466 20 0 CEADMP CC[C@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1CCOC1 ZINC000310706630 288037313 /nfs/dbraw/zinc/03/73/13/288037313.db2.gz INXAULMNDVBKIX-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000366232491 279021813 /nfs/dbraw/zinc/02/18/13/279021813.db2.gz GTHVEMABOASAOF-NOVWEMISSA-N 2 1 286.419 2.373 20 0 CEADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000366232491 279021815 /nfs/dbraw/zinc/02/18/15/279021815.db2.gz GTHVEMABOASAOF-NOVWEMISSA-N 2 1 286.419 2.373 20 0 CEADMP Cc1[nH+]ccc(N2CCN(c3[nH]cc[nH+]3)CC2)c1Cl ZINC000357684177 279165383 /nfs/dbraw/zinc/16/53/83/279165383.db2.gz WGVDHUQRGNZULT-UHFFFAOYSA-N 2 1 277.759 2.093 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346825856 279252780 /nfs/dbraw/zinc/25/27/80/279252780.db2.gz GWVQQDBHHKQYJH-IWCQGFGOSA-N 2 1 280.456 2.498 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000121716030 279257070 /nfs/dbraw/zinc/25/70/70/279257070.db2.gz GSIUYEFMQOGGEU-ZMSDIMECSA-N 3 1 281.488 2.427 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)CC1 ZINC000121716030 279257074 /nfs/dbraw/zinc/25/70/74/279257074.db2.gz GSIUYEFMQOGGEU-ZMSDIMECSA-N 2 1 281.488 2.427 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000336082919 279353649 /nfs/dbraw/zinc/35/36/49/279353649.db2.gz OJUKYOPRJVMBDE-INIZCTEOSA-N 2 1 288.439 2.404 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC2(C)C)CC1 ZINC000342610800 279356610 /nfs/dbraw/zinc/35/66/10/279356610.db2.gz CDICHIJAILLZNN-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000333236640 279372206 /nfs/dbraw/zinc/37/22/06/279372206.db2.gz DCRUJYCKHJAJGS-MGPQQGTHSA-N 2 1 276.428 2.167 20 0 CEADMP CC[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OC ZINC000412975698 280141484 /nfs/dbraw/zinc/14/14/84/280141484.db2.gz GQEBEIPIQFGGBU-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000224447408 280213922 /nfs/dbraw/zinc/21/39/22/280213922.db2.gz VGYKFAKHERRGLH-BARDWOONSA-N 2 1 266.429 2.121 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000245626528 280253809 /nfs/dbraw/zinc/25/38/09/280253809.db2.gz YPBDOSSULGNSHQ-QMIVOQANSA-N 2 1 254.418 2.262 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000245626524 280253822 /nfs/dbraw/zinc/25/38/22/280253822.db2.gz YPBDOSSULGNSHQ-OSFYFWSMSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC[N@H+]1C ZINC000246211981 280280594 /nfs/dbraw/zinc/28/05/94/280280594.db2.gz FUWWADVPETVVTQ-WCVJEAGWSA-N 2 1 295.471 2.225 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000247033815 280318457 /nfs/dbraw/zinc/31/84/57/280318457.db2.gz MJCDEQZWFGCEDG-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000247033815 280318459 /nfs/dbraw/zinc/31/84/59/280318459.db2.gz MJCDEQZWFGCEDG-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000247033815 280318461 /nfs/dbraw/zinc/31/84/61/280318461.db2.gz MJCDEQZWFGCEDG-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000247033815 280318462 /nfs/dbraw/zinc/31/84/62/280318462.db2.gz MJCDEQZWFGCEDG-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000247033815 280318465 /nfs/dbraw/zinc/31/84/65/280318465.db2.gz MJCDEQZWFGCEDG-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000247033815 280318467 /nfs/dbraw/zinc/31/84/67/280318467.db2.gz MJCDEQZWFGCEDG-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000247033815 280318468 /nfs/dbraw/zinc/31/84/68/280318468.db2.gz MJCDEQZWFGCEDG-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247234984 280323868 /nfs/dbraw/zinc/32/38/68/280323868.db2.gz XFHXNNNZTRYHQZ-RBSFLKMASA-N 2 1 256.434 2.105 20 0 CEADMP C[N@@H+]1CCN(CC[NH+]2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000248402529 280345725 /nfs/dbraw/zinc/34/57/25/280345725.db2.gz NGUFLELMVXOXQZ-GOSISDBHSA-N 2 1 287.451 2.461 20 0 CEADMP C[N@H+]1CCN(CC[NH+]2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000248402529 280345726 /nfs/dbraw/zinc/34/57/26/280345726.db2.gz NGUFLELMVXOXQZ-GOSISDBHSA-N 2 1 287.451 2.461 20 0 CEADMP OC(C[NH+]1CCCC12CCC2)C[N@H+]1CCCC12CCC2 ZINC000373180406 280398430 /nfs/dbraw/zinc/39/84/30/280398430.db2.gz OQBDNQGRXXESOO-UHFFFAOYSA-N 2 1 278.440 2.384 20 0 CEADMP CN1CC[NH2+]C[C@H]1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000394775118 280669847 /nfs/dbraw/zinc/66/98/47/280669847.db2.gz HJFVRTPIDBIHDK-LBPRGKRZSA-N 2 1 290.798 2.204 20 0 CEADMP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422635148 280925477 /nfs/dbraw/zinc/92/54/77/280925477.db2.gz LAHBMLZXTGLEMG-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP CN(C)c1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422852416 280936418 /nfs/dbraw/zinc/93/64/18/280936418.db2.gz AMPRLXJGXJNNKE-ARFHVFGLSA-N 2 1 288.439 2.158 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422870355 280940679 /nfs/dbraw/zinc/94/06/79/280940679.db2.gz YPMWEBMSQUJJFM-HOTGVXAUSA-N 2 1 275.396 2.395 20 0 CEADMP C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C1C[NH2+]C1 ZINC000422928605 280969692 /nfs/dbraw/zinc/96/96/92/280969692.db2.gz LQVQQMULJQYKIB-SNVBAGLBSA-N 2 1 296.798 2.199 20 0 CEADMP CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422982672 280982329 /nfs/dbraw/zinc/98/23/29/280982329.db2.gz XMIRBYZDNRABCF-IUODEOHRSA-N 2 1 265.401 2.332 20 0 CEADMP CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423054433 281013157 /nfs/dbraw/zinc/01/31/57/281013157.db2.gz UKJKIVFOGKJPJW-BARDWOONSA-N 2 1 254.418 2.310 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000423060180 281015184 /nfs/dbraw/zinc/01/51/84/281015184.db2.gz HNNJIEUHIMCXBI-UWVGGRQHSA-N 2 1 280.803 2.442 20 0 CEADMP C[C@H]([NH2+]C[C@H]1Cc2ccccc2N(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423061294 281015501 /nfs/dbraw/zinc/01/55/01/281015501.db2.gz QLZZXEBRFIYGCT-UXLLHSPISA-N 2 1 287.451 2.415 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)OC ZINC000423162146 281020715 /nfs/dbraw/zinc/02/07/15/281020715.db2.gz SUOAPRLKYYLPPE-COPLHBTASA-N 2 1 251.374 2.206 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000423407736 281032300 /nfs/dbraw/zinc/03/23/00/281032300.db2.gz NDTGITQXONBUIR-UKRRQHHQSA-N 2 1 295.471 2.131 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)c(F)c1 ZINC000423435985 281041253 /nfs/dbraw/zinc/04/12/53/281041253.db2.gz PCZHACOZKLBRHS-IDTSFGKNSA-N 2 1 266.335 2.469 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)c(OC)c1 ZINC000423518896 281061721 /nfs/dbraw/zinc/06/17/21/281061721.db2.gz CQVAASVYCYGNDV-GFCCVEGCSA-N 2 1 278.396 2.497 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423573733 281066929 /nfs/dbraw/zinc/06/69/29/281066929.db2.gz ZKWUZEREOLOSRV-BPQIPLTHSA-N 2 1 287.451 2.239 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423722373 281082921 /nfs/dbraw/zinc/08/29/21/281082921.db2.gz CYNQPKGQBAFGHK-QXSJWSMHSA-N 2 1 295.471 2.368 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000423773535 281091228 /nfs/dbraw/zinc/09/12/28/281091228.db2.gz MWQZCAZAXWLMQZ-KKUMJFAQSA-N 2 1 283.460 2.131 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCC2 ZINC000335489924 281120542 /nfs/dbraw/zinc/12/05/42/281120542.db2.gz YXIRIYFLWYVLKA-NVXWUHKLSA-N 2 1 274.408 2.341 20 0 CEADMP COCC(C)(C)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424376241 281153209 /nfs/dbraw/zinc/15/32/09/281153209.db2.gz KRXDFZUVEKNFFP-ZDUSSCGKSA-N 2 1 254.418 2.123 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424386866 281155435 /nfs/dbraw/zinc/15/54/35/281155435.db2.gz XSKJXWAFMNJWFP-HUUCEWRRSA-N 2 1 261.369 2.005 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cocn1 ZINC000428876913 281205706 /nfs/dbraw/zinc/20/57/06/281205706.db2.gz QDJYFTQQQYISHN-CYBMUJFWSA-N 2 1 251.374 2.419 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cocn1 ZINC000428876913 281205708 /nfs/dbraw/zinc/20/57/08/281205708.db2.gz QDJYFTQQQYISHN-CYBMUJFWSA-N 2 1 251.374 2.419 20 0 CEADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000430706441 281274330 /nfs/dbraw/zinc/27/43/30/281274330.db2.gz UYELDNXXZHTIPZ-LVQVYYBASA-N 2 1 293.455 2.027 20 0 CEADMP C[NH2+]C1CC[NH+](CCCOc2ccc(OC)cc2)CC1 ZINC000430930057 281281830 /nfs/dbraw/zinc/28/18/30/281281830.db2.gz RJVWJARMCKUJKB-UHFFFAOYSA-N 2 1 278.396 2.148 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430937897 281283247 /nfs/dbraw/zinc/28/32/47/281283247.db2.gz GCDXOYDTFDOTTE-BBRMVZONSA-N 2 1 278.396 2.133 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000432357055 281324801 /nfs/dbraw/zinc/32/48/01/281324801.db2.gz KIWOUENPKDRLCT-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000432357055 281324802 /nfs/dbraw/zinc/32/48/02/281324802.db2.gz KIWOUENPKDRLCT-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@@H+]2CCC[C@@H]2C[NH3+])cc1F ZINC000435378291 281385794 /nfs/dbraw/zinc/38/57/94/281385794.db2.gz IAACXIRLXFGPNT-TZMCWYRMSA-N 2 1 280.387 2.436 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@@H]2C[NH3+])cc1F ZINC000435378291 281385796 /nfs/dbraw/zinc/38/57/96/281385796.db2.gz IAACXIRLXFGPNT-TZMCWYRMSA-N 2 1 280.387 2.436 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000435868401 281398875 /nfs/dbraw/zinc/39/88/75/281398875.db2.gz FGMANKPVBBKFEM-HNNXBMFYSA-N 2 1 262.397 2.312 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCNC(=O)CC2CCCC2)[C@H](C)C1 ZINC000153646300 289118927 /nfs/dbraw/zinc/11/89/27/289118927.db2.gz HUPKWISFPUZGHN-ZBFHGGJFSA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCN2CCCCCC2=O)[C@H](C)C1 ZINC000155500316 289176038 /nfs/dbraw/zinc/17/60/38/289176038.db2.gz IQKDGGBHADVMRA-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](CCC[N@H+](C)CC1CCOCC1)CC1CCOCC1 ZINC000155704426 289180920 /nfs/dbraw/zinc/18/09/20/289180920.db2.gz HMMMNBZTZLHCOP-UHFFFAOYSA-N 2 1 298.471 2.093 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)nc2)[C@@H](C)C1 ZINC000267904067 289263057 /nfs/dbraw/zinc/26/30/57/289263057.db2.gz CLXSZOSZASOVPP-ZFWWWQNUSA-N 2 1 277.412 2.252 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)nc2)[C@@H](C)C1 ZINC000267904067 289263055 /nfs/dbraw/zinc/26/30/55/289263055.db2.gz CLXSZOSZASOVPP-ZFWWWQNUSA-N 2 1 277.412 2.252 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)nc2)[C@@H](C)C1 ZINC000267904067 289263059 /nfs/dbraw/zinc/26/30/59/289263059.db2.gz CLXSZOSZASOVPP-ZFWWWQNUSA-N 2 1 277.412 2.252 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)nc2)[C@@H](C)C1 ZINC000267904067 289263060 /nfs/dbraw/zinc/26/30/60/289263060.db2.gz CLXSZOSZASOVPP-ZFWWWQNUSA-N 2 1 277.412 2.252 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2c1cccc2F ZINC000401718760 289288445 /nfs/dbraw/zinc/28/84/45/289288445.db2.gz IIDKAAIGVGTBIA-OAHLLOKOSA-N 2 1 259.328 2.379 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)c(OC)c1 ZINC000401768429 289288508 /nfs/dbraw/zinc/28/85/08/289288508.db2.gz MZEXUHLABHMVPQ-LBPRGKRZSA-N 2 1 289.379 2.331 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353525760 289309142 /nfs/dbraw/zinc/30/91/42/289309142.db2.gz ZAJGQIICKKNFFN-DMRKSPOLSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353525760 289309145 /nfs/dbraw/zinc/30/91/45/289309145.db2.gz ZAJGQIICKKNFFN-DMRKSPOLSA-N 3 1 279.472 2.322 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353525760 289309148 /nfs/dbraw/zinc/30/91/48/289309148.db2.gz ZAJGQIICKKNFFN-DMRKSPOLSA-N 3 1 279.472 2.322 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000415096745 289728732 /nfs/dbraw/zinc/72/87/32/289728732.db2.gz QNNHHFDJGGZQMN-FXUDXRNXSA-N 2 1 293.455 2.040 20 0 CEADMP COC(=O)C[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CCCCC1 ZINC000459397435 290136946 /nfs/dbraw/zinc/13/69/46/290136946.db2.gz DPVLVDCEINMVID-OAHLLOKOSA-N 2 1 293.411 2.064 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](O)Cc1ccccc1 ZINC000459445344 290150887 /nfs/dbraw/zinc/15/08/87/290150887.db2.gz GVHGVPXHZNZGGP-KSSFIOAISA-N 2 1 288.435 2.195 20 0 CEADMP C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000459509703 290168072 /nfs/dbraw/zinc/16/80/72/290168072.db2.gz OKTGUCURXNTSTD-KRWDZBQOSA-N 2 1 277.456 2.220 20 0 CEADMP c1cn2c(cccc2C[N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)n1 ZINC000459717207 290216528 /nfs/dbraw/zinc/21/65/28/290216528.db2.gz MITUOTTXZCTLJI-CABCVRRESA-N 2 1 283.375 2.335 20 0 CEADMP CC[NH+](CC)C[C@@H](C)Nc1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000462372750 290258751 /nfs/dbraw/zinc/25/87/51/290258751.db2.gz ZBNQWCPJXOLIEX-CYBMUJFWSA-N 2 1 293.459 2.230 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](OC)C2)[C@@H](C)C1 ZINC000471784503 290282509 /nfs/dbraw/zinc/28/25/09/290282509.db2.gz AHNFJCZCCUORRH-HZMVEIRTSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000484816671 290316673 /nfs/dbraw/zinc/31/66/73/290316673.db2.gz DEMQZFUIKJFNNO-TUVASFSCSA-N 2 1 254.418 2.025 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H]1CCSC1 ZINC000487269703 290338825 /nfs/dbraw/zinc/33/88/25/290338825.db2.gz SVSJRYWZEGUXCC-DGCLKSJQSA-N 2 1 253.415 2.170 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000488421628 290397738 /nfs/dbraw/zinc/39/77/38/290397738.db2.gz SXEPFLZXINXQPT-KBPBESRZSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1cc(N2CCC([NH2+]C[C@H]3C[C@H]3C)CC2)nc(C)[nH+]1 ZINC000488558689 290409495 /nfs/dbraw/zinc/40/94/95/290409495.db2.gz NDGQJYOLQLVGMP-BXUZGUMPSA-N 2 1 274.412 2.308 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)CC[N@H+]1C ZINC000184241106 297256694 /nfs/dbraw/zinc/25/66/94/297256694.db2.gz FASDOISJPXEMJV-CABCVRRESA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)C2CCCCC2)CC[N@@H+]1C ZINC000120440864 297285624 /nfs/dbraw/zinc/28/56/24/297285624.db2.gz MNHGBOPWQDPSMK-KBMXLJTQSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)C2CCCCC2)CC[N@H+]1C ZINC000120440864 297285625 /nfs/dbraw/zinc/28/56/25/297285625.db2.gz MNHGBOPWQDPSMK-KBMXLJTQSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)CCN(C)c2ccccc2)CC[NH2+]1 ZINC000414689186 297395955 /nfs/dbraw/zinc/39/59/55/297395955.db2.gz FLZVJOLQJSDGSB-HZPDHXFCSA-N 2 1 275.440 2.443 20 0 CEADMP C(C[C@@H]1CCCOC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000527925765 297763233 /nfs/dbraw/zinc/76/32/33/297763233.db2.gz NKELLDDJVMVIQY-ZDUSSCGKSA-N 2 1 252.402 2.020 20 0 CEADMP CCc1cccnc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530407302 298068917 /nfs/dbraw/zinc/06/89/17/298068917.db2.gz OCIIUXYAVFTPKS-LBPRGKRZSA-N 2 1 258.369 2.271 20 0 CEADMP COc1cccc2c1CC[C@H]2[NH2+]CCc1c[nH+]cn1C ZINC000530513099 298075534 /nfs/dbraw/zinc/07/55/34/298075534.db2.gz BHGMIXZQCUIGFV-OAHLLOKOSA-N 2 1 271.364 2.248 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCOCC1 ZINC000531970056 298127430 /nfs/dbraw/zinc/12/74/30/298127430.db2.gz FHOSNSQWTMLVOO-SJORKVTESA-N 2 1 298.471 2.018 20 0 CEADMP COc1ccccc1OCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000532460394 298145059 /nfs/dbraw/zinc/14/50/59/298145059.db2.gz PPKQBJMOBSMQFK-QLFBSQMISA-N 2 1 292.423 2.392 20 0 CEADMP C[C@@H](O)C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000534314729 298172721 /nfs/dbraw/zinc/17/27/21/298172721.db2.gz BJEIFIJMKVPLMG-WBVHZDCISA-N 2 1 276.424 2.354 20 0 CEADMP C[C@@H](O)C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000534314729 298172722 /nfs/dbraw/zinc/17/27/22/298172722.db2.gz BJEIFIJMKVPLMG-WBVHZDCISA-N 2 1 276.424 2.354 20 0 CEADMP C[C@@H](O)C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000534314729 298172725 /nfs/dbraw/zinc/17/27/25/298172725.db2.gz BJEIFIJMKVPLMG-WBVHZDCISA-N 2 1 276.424 2.354 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000541056053 298274973 /nfs/dbraw/zinc/27/49/73/298274973.db2.gz WZFGKQRXUCGWGL-HOCLYGCPSA-N 2 1 262.397 2.102 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000541056053 298274975 /nfs/dbraw/zinc/27/49/75/298274975.db2.gz WZFGKQRXUCGWGL-HOCLYGCPSA-N 2 1 262.397 2.102 20 0 CEADMP Cc1cccc2c(NCC[N@@H+]3CCO[C@@H](C)C3)c(C)c[nH+]c12 ZINC000545196118 298330014 /nfs/dbraw/zinc/33/00/14/298330014.db2.gz ZWZPSTUJSJDVKL-HNNXBMFYSA-N 2 1 299.418 2.406 20 0 CEADMP Cc1cccc2c(NCC[N@H+]3CCO[C@@H](C)C3)c(C)c[nH+]c12 ZINC000545196118 298330016 /nfs/dbraw/zinc/33/00/16/298330016.db2.gz ZWZPSTUJSJDVKL-HNNXBMFYSA-N 2 1 299.418 2.406 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000547277135 298360238 /nfs/dbraw/zinc/36/02/38/298360238.db2.gz UCXXIDGKWHHMKX-DLBZAZTESA-N 2 1 274.408 2.184 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000547277135 298360242 /nfs/dbraw/zinc/36/02/42/298360242.db2.gz UCXXIDGKWHHMKX-DLBZAZTESA-N 2 1 274.408 2.184 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCO[C@H]1c1ccccc1 ZINC000565164819 298883311 /nfs/dbraw/zinc/88/33/11/298883311.db2.gz OCBVHJWFYJVKPT-IRXDYDNUSA-N 2 1 285.391 2.473 20 0 CEADMP C(C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000566559070 299003152 /nfs/dbraw/zinc/00/31/52/299003152.db2.gz SQWQZNCQCFCMAA-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000567350851 299055289 /nfs/dbraw/zinc/05/52/89/299055289.db2.gz ARFRLRZLBMLVLD-HZPDHXFCSA-N 2 1 295.471 2.275 20 0 CEADMP CCn1nc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c2ccccc21 ZINC000567352666 299056159 /nfs/dbraw/zinc/05/61/59/299056159.db2.gz KDSTZFRKHOZGKC-NWDGAFQWSA-N 2 1 260.385 2.272 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCCO)[C@H](C)C1 ZINC000357840657 527799814 /nfs/dbraw/zinc/79/98/14/527799814.db2.gz LYODYGIEVRXKII-ZIAGYGMSSA-N 2 1 256.434 2.105 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000515654191 313075308 /nfs/dbraw/zinc/07/53/08/313075308.db2.gz IEWDQASLOTYVTA-FZKCQIBNSA-N 2 1 295.471 2.001 20 0 CEADMP COc1nccnc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000521969990 313136997 /nfs/dbraw/zinc/13/69/97/313136997.db2.gz XYVQINDUUAFLJB-UHFFFAOYSA-N 2 1 292.427 2.037 20 0 CEADMP COc1nccnc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000521969990 313136999 /nfs/dbraw/zinc/13/69/99/313136999.db2.gz XYVQINDUUAFLJB-UHFFFAOYSA-N 2 1 292.427 2.037 20 0 CEADMP Cn1cncc1CCC[N@@H+](C)Cc1cccc(O)c1 ZINC000522011046 313139977 /nfs/dbraw/zinc/13/99/77/313139977.db2.gz KTYWFXWGOPEVTD-UHFFFAOYSA-N 2 1 259.353 2.190 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1cccc(O)c1 ZINC000522011046 313139979 /nfs/dbraw/zinc/13/99/79/313139979.db2.gz KTYWFXWGOPEVTD-UHFFFAOYSA-N 2 1 259.353 2.190 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cccc(O)c1 ZINC000522011046 313139982 /nfs/dbraw/zinc/13/99/82/313139982.db2.gz KTYWFXWGOPEVTD-UHFFFAOYSA-N 2 1 259.353 2.190 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000527930726 313216050 /nfs/dbraw/zinc/21/60/50/313216050.db2.gz SQINEQHVUJPDNX-APIJFGDWSA-N 2 1 254.418 2.121 20 0 CEADMP CC[NH+]1CCC([NH+]2CCC(CCOC)CC2)CC1 ZINC000527936261 313216851 /nfs/dbraw/zinc/21/68/51/313216851.db2.gz PQNAYRMQHWYABY-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+](CC3CC(C)(C)C3)CC2)C1 ZINC000528417188 313251844 /nfs/dbraw/zinc/25/18/44/313251844.db2.gz POQHEXMCVIAHAV-INIZCTEOSA-N 2 1 279.472 2.134 20 0 CEADMP Cc1cnccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000530225634 313284924 /nfs/dbraw/zinc/28/49/24/313284924.db2.gz UYAGEWKANWEEBC-GDBMZVCRSA-N 2 1 259.397 2.354 20 0 CEADMP CC[C@H]1CCC[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000532481347 313349305 /nfs/dbraw/zinc/34/93/05/313349305.db2.gz AVQGKHNCJJKLNG-IRXDYDNUSA-N 2 1 281.488 2.428 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000535763734 313396708 /nfs/dbraw/zinc/39/67/08/313396708.db2.gz NLMWNKGEVGKKJE-INIZCTEOSA-N 2 1 288.439 2.442 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(OC(C)C)CC1 ZINC000536476326 313403399 /nfs/dbraw/zinc/40/33/99/313403399.db2.gz UFMDABDCAPGJIE-UHFFFAOYSA-N 2 1 265.401 2.471 20 0 CEADMP CC(C)OC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000564736997 313775072 /nfs/dbraw/zinc/77/50/72/313775072.db2.gz VQSYHZKPSSUTRY-UHFFFAOYSA-N 2 1 265.401 2.242 20 0 CEADMP CCC1CCC([NH2+]C2(CCO)CC[NH+](C)CC2)CC1 ZINC000570107413 314026856 /nfs/dbraw/zinc/02/68/56/314026856.db2.gz VNYQVLVAIPSPQE-UHFFFAOYSA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000573005262 314135843 /nfs/dbraw/zinc/13/58/43/314135843.db2.gz JOYUAFULUDRLHA-INIZCTEOSA-N 3 1 281.488 2.428 20 0 CEADMP C[N@@H+]1CC[C@H]2CC[NH+](CC3Cc4ccccc4C3)[C@H]2C1 ZINC000577431782 314376472 /nfs/dbraw/zinc/37/64/72/314376472.db2.gz BRYSCNORURLQSS-YJBOKZPZSA-N 2 1 270.420 2.427 20 0 CEADMP C[N@H+]1CC[C@H]2CC[NH+](CC3Cc4ccccc4C3)[C@H]2C1 ZINC000577431782 314376475 /nfs/dbraw/zinc/37/64/75/314376475.db2.gz BRYSCNORURLQSS-YJBOKZPZSA-N 2 1 270.420 2.427 20 0 CEADMP C[NH+]1CC[C@H]2CC[N@H+](CC3Cc4ccccc4C3)[C@H]2C1 ZINC000577431782 314376477 /nfs/dbraw/zinc/37/64/77/314376477.db2.gz BRYSCNORURLQSS-YJBOKZPZSA-N 2 1 270.420 2.427 20 0 CEADMP C[NH+]1CC[C@H]2CC[N@@H+](CC3Cc4ccccc4C3)[C@H]2C1 ZINC000577431782 314376479 /nfs/dbraw/zinc/37/64/79/314376479.db2.gz BRYSCNORURLQSS-YJBOKZPZSA-N 2 1 270.420 2.427 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H](C)O ZINC000577602609 314394080 /nfs/dbraw/zinc/39/40/80/314394080.db2.gz HCWVJORSDPIOSF-HZSPNIEDSA-N 2 1 282.453 2.319 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H](C)O ZINC000577602609 314394083 /nfs/dbraw/zinc/39/40/83/314394083.db2.gz HCWVJORSDPIOSF-HZSPNIEDSA-N 2 1 282.453 2.319 20 0 CEADMP c1ccc(-c2ncc(C[NH2+]CC[C@H]3CCC[NH2+]3)cn2)cc1 ZINC000579567832 314600794 /nfs/dbraw/zinc/60/07/94/314600794.db2.gz RSDOZGPFJWBPID-MRXNPFEDSA-N 2 1 282.391 2.375 20 0 CEADMP CC(C)CC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000580710315 322337417 /nfs/dbraw/zinc/33/74/17/322337417.db2.gz ZJAMCNXTVXEUPI-GJZGRUSLSA-N 2 1 256.434 2.105 20 0 CEADMP COc1cc(F)c(C[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000580318322 322310183 /nfs/dbraw/zinc/31/01/83/322310183.db2.gz XGOBMGSTACFANI-UHFFFAOYSA-N 2 1 293.342 2.138 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cnccn3)C2)[nH+]1 ZINC000580404965 322315366 /nfs/dbraw/zinc/31/53/66/322315366.db2.gz MOBUJVRHOYLUFE-CQSZACIVSA-N 2 1 283.379 2.114 20 0 CEADMP COCCC1(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCCCC1 ZINC000580555419 322326355 /nfs/dbraw/zinc/32/63/55/322326355.db2.gz RVWQGKLUSGFWIV-MRXNPFEDSA-N 2 1 298.471 2.018 20 0 CEADMP COCCC1(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCCCC1 ZINC000580555419 322326358 /nfs/dbraw/zinc/32/63/58/322326358.db2.gz RVWQGKLUSGFWIV-MRXNPFEDSA-N 2 1 298.471 2.018 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000581141330 322373035 /nfs/dbraw/zinc/37/30/35/322373035.db2.gz YYWLMPCNGKMEEW-DLBZAZTESA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000581141330 322373036 /nfs/dbraw/zinc/37/30/36/322373036.db2.gz YYWLMPCNGKMEEW-DLBZAZTESA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000581141330 322373039 /nfs/dbraw/zinc/37/30/39/322373039.db2.gz YYWLMPCNGKMEEW-DLBZAZTESA-N 2 1 276.424 2.097 20 0 CEADMP C[C@@H](O)C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000581300959 322384805 /nfs/dbraw/zinc/38/48/05/322384805.db2.gz NKYHQWLBLUVGIP-HZPDHXFCSA-N 2 1 276.424 2.259 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OC(F)(F)O3)C1 ZINC000581357138 322389359 /nfs/dbraw/zinc/38/93/59/322389359.db2.gz BWVULZNFXHUBAL-NSHDSACASA-N 2 1 298.333 2.440 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OC(F)(F)O3)C1 ZINC000581357138 322389362 /nfs/dbraw/zinc/38/93/62/322389362.db2.gz BWVULZNFXHUBAL-NSHDSACASA-N 2 1 298.333 2.440 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000581380462 322392465 /nfs/dbraw/zinc/39/24/65/322392465.db2.gz UZBJCJMWXXNGHN-XGUBFFRZSA-N 2 1 253.434 2.109 20 0 CEADMP C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000581380462 322392466 /nfs/dbraw/zinc/39/24/66/322392466.db2.gz UZBJCJMWXXNGHN-XGUBFFRZSA-N 2 1 253.434 2.109 20 0 CEADMP CCN(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000581456669 322397626 /nfs/dbraw/zinc/39/76/26/322397626.db2.gz PISYGDBBNDQSRW-GDBMZVCRSA-N 2 1 290.455 2.310 20 0 CEADMP CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000581456669 322397627 /nfs/dbraw/zinc/39/76/27/322397627.db2.gz PISYGDBBNDQSRW-GDBMZVCRSA-N 2 1 290.455 2.310 20 0 CEADMP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000581456669 322397630 /nfs/dbraw/zinc/39/76/30/322397630.db2.gz PISYGDBBNDQSRW-GDBMZVCRSA-N 2 1 290.455 2.310 20 0 CEADMP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000581456669 322397632 /nfs/dbraw/zinc/39/76/32/322397632.db2.gz PISYGDBBNDQSRW-GDBMZVCRSA-N 2 1 290.455 2.310 20 0 CEADMP CO[C@]1(C)C[C@H]([N@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000584239608 327106541 /nfs/dbraw/zinc/10/65/41/327106541.db2.gz GWMMODLUJRSUJK-GOEBONIOSA-N 2 1 279.428 2.488 20 0 CEADMP CO[C@]1(C)C[C@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000584239608 327106542 /nfs/dbraw/zinc/10/65/42/327106542.db2.gz GWMMODLUJRSUJK-GOEBONIOSA-N 2 1 279.428 2.488 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC23CCOCC3)CC[N@@H+]1C ZINC000558619000 327108806 /nfs/dbraw/zinc/10/88/06/327108806.db2.gz ZHMHKAGJVSZPMV-MGPQQGTHSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC23CCOCC3)CC[N@H+]1C ZINC000558619000 327108807 /nfs/dbraw/zinc/10/88/07/327108807.db2.gz ZHMHKAGJVSZPMV-MGPQQGTHSA-N 2 1 252.402 2.018 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000394374327 329115017 /nfs/dbraw/zinc/11/50/17/329115017.db2.gz JTRLVRGYOIOSHW-MOPGFXCFSA-N 2 1 299.462 2.391 20 0 CEADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000394374327 329115019 /nfs/dbraw/zinc/11/50/19/329115019.db2.gz JTRLVRGYOIOSHW-MOPGFXCFSA-N 2 1 299.462 2.391 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000394374327 329115020 /nfs/dbraw/zinc/11/50/20/329115020.db2.gz JTRLVRGYOIOSHW-MOPGFXCFSA-N 2 1 299.462 2.391 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccnn1C ZINC000192678834 533852707 /nfs/dbraw/zinc/85/27/07/533852707.db2.gz HDTNEFBDWSJFFB-ZNMIVQPWSA-N 2 1 278.444 2.439 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccnn1C ZINC000192678834 533852713 /nfs/dbraw/zinc/85/27/13/533852713.db2.gz HDTNEFBDWSJFFB-ZNMIVQPWSA-N 2 1 278.444 2.439 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CS1 ZINC000414493535 533956573 /nfs/dbraw/zinc/95/65/73/533956573.db2.gz CDLXQXIXINKSLW-PWSUYJOCSA-N 2 1 251.399 2.131 20 0 CEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000193126264 534146713 /nfs/dbraw/zinc/14/67/13/534146713.db2.gz VQQQICJOZMGIJQ-HIFRSBDPSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000414942085 534147921 /nfs/dbraw/zinc/14/79/21/534147921.db2.gz JQHXSRMZIUZMPV-QWRGUYRKSA-N 2 1 283.803 2.302 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000157764115 519750946 /nfs/dbraw/zinc/75/09/46/519750946.db2.gz TWAORBYZRQWSNU-DOMZBBRYSA-N 2 1 275.396 2.217 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157764115 519750948 /nfs/dbraw/zinc/75/09/48/519750948.db2.gz TWAORBYZRQWSNU-DOMZBBRYSA-N 2 1 275.396 2.217 20 0 CEADMP CC(=O)Oc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000366533972 519759038 /nfs/dbraw/zinc/75/90/38/519759038.db2.gz JOTUEDYDDIPCIW-QGZVFWFLSA-N 2 1 288.391 2.140 20 0 CEADMP CC(=O)Oc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000366533972 519759040 /nfs/dbraw/zinc/75/90/40/519759040.db2.gz JOTUEDYDDIPCIW-QGZVFWFLSA-N 2 1 288.391 2.140 20 0 CEADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000366533972 519759042 /nfs/dbraw/zinc/75/90/42/519759042.db2.gz JOTUEDYDDIPCIW-QGZVFWFLSA-N 2 1 288.391 2.140 20 0 CEADMP CC(=O)Oc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000366533972 519759043 /nfs/dbraw/zinc/75/90/43/519759043.db2.gz JOTUEDYDDIPCIW-QGZVFWFLSA-N 2 1 288.391 2.140 20 0 CEADMP CCOC(=O)CCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157085894 520637196 /nfs/dbraw/zinc/63/71/96/520637196.db2.gz YKJJBDFMEZCDGY-OAHLLOKOSA-N 2 1 282.428 2.280 20 0 CEADMP CCOC(=O)CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157085894 520637202 /nfs/dbraw/zinc/63/72/02/520637202.db2.gz YKJJBDFMEZCDGY-OAHLLOKOSA-N 2 1 282.428 2.280 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[NH+](CC(C)C)CC2)c1C ZINC000067226421 521811427 /nfs/dbraw/zinc/81/14/27/521811427.db2.gz KXNZWLZXJBPYOQ-UHFFFAOYSA-N 2 1 291.439 2.481 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[NH2+]C[C@H]2C(C)C)c1C ZINC000068695805 521813069 /nfs/dbraw/zinc/81/30/69/521813069.db2.gz VNLNJBKEZVNFSM-HNNXBMFYSA-N 2 1 277.412 2.137 20 0 CEADMP C[N@H+](Cc1cc[nH]n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000368814039 523193593 /nfs/dbraw/zinc/19/35/93/523193593.db2.gz NOEBRBKCCJKELS-UHFFFAOYSA-N 2 1 285.395 2.153 20 0 CEADMP COc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000158034841 524070648 /nfs/dbraw/zinc/07/06/48/524070648.db2.gz DBJZPGQGTKKGPE-UHFFFAOYSA-N 2 1 263.385 2.056 20 0 CEADMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000358226226 524332036 /nfs/dbraw/zinc/33/20/36/524332036.db2.gz CVAXVVYFZBIRLC-NVXWUHKLSA-N 2 1 276.424 2.329 20 0 CEADMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC000358226226 524332041 /nfs/dbraw/zinc/33/20/41/524332041.db2.gz CVAXVVYFZBIRLC-NVXWUHKLSA-N 2 1 276.424 2.329 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000151140635 524562989 /nfs/dbraw/zinc/56/29/89/524562989.db2.gz FDCMJEULUMJUBA-UAGQMJEPSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000151140635 524562998 /nfs/dbraw/zinc/56/29/98/524562998.db2.gz FDCMJEULUMJUBA-UAGQMJEPSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000151140635 524563003 /nfs/dbraw/zinc/56/30/03/524563003.db2.gz FDCMJEULUMJUBA-UAGQMJEPSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccn1C ZINC000363415293 524976994 /nfs/dbraw/zinc/97/69/94/524976994.db2.gz DWQLGIPLILMQCW-DJIMGWMZSA-N 2 1 291.439 2.004 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccn1C ZINC000363415293 524976998 /nfs/dbraw/zinc/97/69/98/524976998.db2.gz DWQLGIPLILMQCW-DJIMGWMZSA-N 2 1 291.439 2.004 20 0 CEADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCC[NH+]1CCCC1 ZINC000363448418 525083557 /nfs/dbraw/zinc/08/35/57/525083557.db2.gz FZHDWXICALMSHS-HZPDHXFCSA-N 2 1 265.445 2.031 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3CC[C@H]2CO)CC[N@@H+]1C ZINC000365156089 525447645 /nfs/dbraw/zinc/44/76/45/525447645.db2.gz LPFMYANBYZQKLR-VUNQQRPYSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3CC[C@H]2CO)CC[N@H+]1C ZINC000365156089 525447653 /nfs/dbraw/zinc/44/76/53/525447653.db2.gz LPFMYANBYZQKLR-VUNQQRPYSA-N 2 1 288.435 2.355 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414802160 527256529 /nfs/dbraw/zinc/25/65/29/527256529.db2.gz KCQJUYRIURSZLR-UHFFFAOYSA-N 2 1 275.165 2.415 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000363472612 527397813 /nfs/dbraw/zinc/39/78/13/527397813.db2.gz SAAXHPIXYDXPSE-CVEARBPZSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000363472612 527397816 /nfs/dbraw/zinc/39/78/16/527397816.db2.gz SAAXHPIXYDXPSE-CVEARBPZSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000363459743 527413741 /nfs/dbraw/zinc/41/37/41/527413741.db2.gz RBOQHVDBOOJCMQ-HNNXBMFYSA-N 2 1 285.395 2.251 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000363459743 527413745 /nfs/dbraw/zinc/41/37/45/527413745.db2.gz RBOQHVDBOOJCMQ-HNNXBMFYSA-N 2 1 285.395 2.251 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2(O)CCC2)C[C@H]1C ZINC000411115719 527753081 /nfs/dbraw/zinc/75/30/81/527753081.db2.gz FTEKFKXJBDFZJX-ZIAGYGMSSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2(O)CCC2)C[C@H]1C ZINC000411115719 527753084 /nfs/dbraw/zinc/75/30/84/527753084.db2.gz FTEKFKXJBDFZJX-ZIAGYGMSSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2(O)CCC2)C[C@H]1C ZINC000411115719 527753088 /nfs/dbraw/zinc/75/30/88/527753088.db2.gz FTEKFKXJBDFZJX-ZIAGYGMSSA-N 2 1 254.418 2.096 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000174651720 527977029 /nfs/dbraw/zinc/97/70/29/527977029.db2.gz QHBBHUPNRKAXHD-UHFFFAOYSA-N 2 1 291.439 2.210 20 0 CEADMP CCC[N@@H+](CC)CCNC1CC[NH+](CCC)CC1 ZINC000156771364 527977809 /nfs/dbraw/zinc/97/78/09/527977809.db2.gz DEFMIWLSBNXQQY-UHFFFAOYSA-N 2 1 255.450 2.182 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CCN(c2cccc(C)[nH+]2)C1 ZINC000354844346 528146387 /nfs/dbraw/zinc/14/63/87/528146387.db2.gz WFWZNCCAKSWUGC-OAHLLOKOSA-N 2 1 277.412 2.327 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCc2cncs2)C1 ZINC000411310185 528146834 /nfs/dbraw/zinc/14/68/34/528146834.db2.gz UDYLOUYACWDLNB-CQSZACIVSA-N 2 1 297.468 2.118 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000418204568 528350666 /nfs/dbraw/zinc/35/06/66/528350666.db2.gz XRZLRKUHUXZUJH-QLFBSQMISA-N 2 1 298.475 2.018 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])C(C)C ZINC000167201622 528502134 /nfs/dbraw/zinc/50/21/34/528502134.db2.gz HDBQKVAKBBZNHU-GJZGRUSLSA-N 2 1 283.460 2.131 20 0 CEADMP CC[N@H+](CCNc1cncc(-n2cc[nH+]c2C)n1)C(C)C ZINC000357269199 528518875 /nfs/dbraw/zinc/51/88/75/528518875.db2.gz ZJSKLZLPAVQWNZ-UHFFFAOYSA-N 2 1 288.399 2.113 20 0 CEADMP CC[N@@H+](CCNc1cncc(-n2cc[nH+]c2C)n1)C(C)C ZINC000357269199 528518881 /nfs/dbraw/zinc/51/88/81/528518881.db2.gz ZJSKLZLPAVQWNZ-UHFFFAOYSA-N 2 1 288.399 2.113 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000357148981 528567734 /nfs/dbraw/zinc/56/77/34/528567734.db2.gz OTHDNQXQJXZPQQ-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@@H+](CCOCC[NH3+])Cc1ccccc1F ZINC000357069178 528910071 /nfs/dbraw/zinc/91/00/71/528910071.db2.gz HLURZOAIAAIINT-UHFFFAOYSA-N 2 1 254.349 2.011 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000729683462 574490836 /nfs/dbraw/zinc/49/08/36/574490836.db2.gz QEFXWAFWINXMFM-UHFFFAOYSA-N 2 1 295.858 2.457 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000732271622 574616704 /nfs/dbraw/zinc/61/67/04/574616704.db2.gz LXSAUEDBLZJSBU-MRXNPFEDSA-N 2 1 297.487 2.489 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000756073065 574796717 /nfs/dbraw/zinc/79/67/17/574796717.db2.gz UZXQPISHTKDUHW-MELADBBJSA-N 2 1 299.459 2.220 20 0 CEADMP C[N@H+](C[C@@H]1CC1(Cl)Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000741386959 574983956 /nfs/dbraw/zinc/98/39/56/574983956.db2.gz NUBGPTLWFQAOBL-MNOVXSKESA-N 2 1 265.228 2.454 20 0 CEADMP C[N@@H+](C[C@@H]1CC1(Cl)Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000741386959 574983958 /nfs/dbraw/zinc/98/39/58/574983958.db2.gz NUBGPTLWFQAOBL-MNOVXSKESA-N 2 1 265.228 2.454 20 0 CEADMP C[NH+](C[C@@H]1CC1(Cl)Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000741386959 574983961 /nfs/dbraw/zinc/98/39/61/574983961.db2.gz NUBGPTLWFQAOBL-MNOVXSKESA-N 2 1 265.228 2.454 20 0 CEADMP C[NH+](C[C@@H]1CC1(Cl)Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741386959 574983963 /nfs/dbraw/zinc/98/39/63/574983963.db2.gz NUBGPTLWFQAOBL-MNOVXSKESA-N 2 1 265.228 2.454 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](Cn2cc[nH]c2=S)CC1 ZINC000743363381 575050894 /nfs/dbraw/zinc/05/08/94/575050894.db2.gz GFLOSRKAGIVYGL-UHFFFAOYSA-N 2 1 282.457 2.183 20 0 CEADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948040269 614037979 /nfs/dbraw/zinc/03/79/79/614037979.db2.gz OHZNQFRZUOJDAB-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000972479175 614281962 /nfs/dbraw/zinc/28/19/62/614281962.db2.gz SKFFPSZZWCGPPZ-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000971683693 614356046 /nfs/dbraw/zinc/35/60/46/614356046.db2.gz XYHKJLZMPCZKAA-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971683693 614356049 /nfs/dbraw/zinc/35/60/49/614356049.db2.gz XYHKJLZMPCZKAA-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971683693 614356051 /nfs/dbraw/zinc/35/60/51/614356051.db2.gz XYHKJLZMPCZKAA-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CCC(CC)C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000950490667 614558316 /nfs/dbraw/zinc/55/83/16/614558316.db2.gz COBRVOAUQMZLLE-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014407 614629889 /nfs/dbraw/zinc/62/98/89/614629889.db2.gz ZXRBGFWCRRVAEZ-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC)CC1(C)C ZINC000940786450 614679307 /nfs/dbraw/zinc/67/93/07/614679307.db2.gz WISJHXAEDFMHAH-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC)CC1(C)C ZINC000940786450 614679310 /nfs/dbraw/zinc/67/93/10/614679310.db2.gz WISJHXAEDFMHAH-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC)CC1(C)C ZINC000940786450 614679313 /nfs/dbraw/zinc/67/93/13/614679313.db2.gz WISJHXAEDFMHAH-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707561 614739299 /nfs/dbraw/zinc/73/92/99/614739299.db2.gz JJQBNFBQFFXPPF-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC)C1 ZINC000970719898 614981170 /nfs/dbraw/zinc/98/11/70/614981170.db2.gz WSFZWXGZENCQGT-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C(C)C ZINC000961032880 615110730 /nfs/dbraw/zinc/11/07/30/615110730.db2.gz UVZCWEWXRUCEJD-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)C(C)C ZINC000961032880 615110732 /nfs/dbraw/zinc/11/07/32/615110732.db2.gz UVZCWEWXRUCEJD-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)C(C)C ZINC000961032880 615110733 /nfs/dbraw/zinc/11/07/33/615110733.db2.gz UVZCWEWXRUCEJD-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000981363253 615134373 /nfs/dbraw/zinc/13/43/73/615134373.db2.gz GAPIPJNUFIYDKR-KBPBESRZSA-N 2 1 292.427 2.043 20 0 CEADMP CC[C@H](C)C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000948855148 615655429 /nfs/dbraw/zinc/65/54/29/615655429.db2.gz YTJUQHFYRLMIOU-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001024186307 625462027 /nfs/dbraw/zinc/46/20/27/625462027.db2.gz OYYBSYPJZNVRTL-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC1CCCCCC1 ZINC000092276842 622581134 /nfs/dbraw/zinc/58/11/34/622581134.db2.gz XAKMTDGLBSNZGT-AWEZNQCLSA-N 2 1 266.433 2.098 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(C[NH+](C)C)c1 ZINC000924539148 625637150 /nfs/dbraw/zinc/63/71/50/625637150.db2.gz IBZYGGZFXLYLKN-CQSZACIVSA-N 3 1 263.429 2.351 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000050247667 623372790 /nfs/dbraw/zinc/37/27/90/623372790.db2.gz OGARXMFGOQHQHO-GFCCVEGCSA-N 2 1 257.337 2.122 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000050247667 623372796 /nfs/dbraw/zinc/37/27/96/623372796.db2.gz OGARXMFGOQHQHO-GFCCVEGCSA-N 2 1 257.337 2.122 20 0 CEADMP CN(CC[NH2+]C(C)(C)C)CC[C@H]1CCCC[N@H+]1C ZINC000234283583 623492411 /nfs/dbraw/zinc/49/24/11/623492411.db2.gz TYVHJBHQORNIDR-CQSZACIVSA-N 2 1 255.450 2.181 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)CCC1CC[NH2+]CC1 ZINC000050939626 623532237 /nfs/dbraw/zinc/53/22/37/623532237.db2.gz WRATXWJDXFCEHJ-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP CC[N@H+](CCCCn1cc[nH+]c1C)C(C)(C)C(=O)OC ZINC000933192936 623533107 /nfs/dbraw/zinc/53/31/07/623533107.db2.gz GMAYYUJIXSADMV-UHFFFAOYSA-N 2 1 281.400 2.245 20 0 CEADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C(C)(C)C(=O)OC ZINC000933192936 623533112 /nfs/dbraw/zinc/53/31/12/623533112.db2.gz GMAYYUJIXSADMV-UHFFFAOYSA-N 2 1 281.400 2.245 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000161000391 623693568 /nfs/dbraw/zinc/69/35/68/623693568.db2.gz NOFAFXWDLPESQL-JKSUJKDBSA-N 3 1 267.461 2.323 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000891495169 623744714 /nfs/dbraw/zinc/74/47/14/623744714.db2.gz WSJAUQLCMQWQRR-CQSZACIVSA-N 2 1 298.475 2.020 20 0 CEADMP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001022201975 623833747 /nfs/dbraw/zinc/83/37/47/623833747.db2.gz OZKBYYCIDMCNOV-IJEWVQPXSA-N 2 1 293.455 2.040 20 0 CEADMP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001022200986 623833873 /nfs/dbraw/zinc/83/38/73/623833873.db2.gz BYMQOJAEUWGUPW-XHSDSOJGSA-N 2 1 295.471 2.142 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CCOCC3CCCC3)C[C@]2(C)C1 ZINC000933733333 623983371 /nfs/dbraw/zinc/98/33/71/623983371.db2.gz INGXVLPHPLCWSQ-CVEARBPZSA-N 2 1 266.429 2.077 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](CCOCC3CCCC3)C[C@]2(C)C1 ZINC000933733333 623983377 /nfs/dbraw/zinc/98/33/77/623983377.db2.gz INGXVLPHPLCWSQ-CVEARBPZSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCOCC3CCCC3)C[C@]2(C)C1 ZINC000933733333 623983378 /nfs/dbraw/zinc/98/33/78/623983378.db2.gz INGXVLPHPLCWSQ-CVEARBPZSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCOCC3CCCC3)C[C@]2(C)C1 ZINC000933733333 623983380 /nfs/dbraw/zinc/98/33/80/623983380.db2.gz INGXVLPHPLCWSQ-CVEARBPZSA-N 2 1 266.429 2.077 20 0 CEADMP OC[C@H]1CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000934018137 624167698 /nfs/dbraw/zinc/16/76/98/624167698.db2.gz JNTASTIPVAYZFS-QGZVFWFLSA-N 2 1 274.408 2.239 20 0 CEADMP C[NH+]1CCC(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000892237433 624443948 /nfs/dbraw/zinc/44/39/48/624443948.db2.gz YTQQODFKTBBGPS-AEFFLSMTSA-N 2 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000892237433 624443949 /nfs/dbraw/zinc/44/39/49/624443949.db2.gz YTQQODFKTBBGPS-AEFFLSMTSA-N 3 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000892237433 624443950 /nfs/dbraw/zinc/44/39/50/624443950.db2.gz YTQQODFKTBBGPS-AEFFLSMTSA-N 3 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000892237433 624443951 /nfs/dbraw/zinc/44/39/51/624443951.db2.gz YTQQODFKTBBGPS-AEFFLSMTSA-N 3 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000892237433 624443952 /nfs/dbraw/zinc/44/39/52/624443952.db2.gz YTQQODFKTBBGPS-AEFFLSMTSA-N 3 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000892237433 624443953 /nfs/dbraw/zinc/44/39/53/624443953.db2.gz YTQQODFKTBBGPS-AEFFLSMTSA-N 2 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000892237433 624443954 /nfs/dbraw/zinc/44/39/54/624443954.db2.gz YTQQODFKTBBGPS-AEFFLSMTSA-N 2 1 291.483 2.277 20 0 CEADMP CC(C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000052382317 624936601 /nfs/dbraw/zinc/93/66/01/624936601.db2.gz OBBCTGOQYITLIM-AWEZNQCLSA-N 2 1 262.397 2.405 20 0 CEADMP CC(C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000052382317 624936605 /nfs/dbraw/zinc/93/66/05/624936605.db2.gz OBBCTGOQYITLIM-AWEZNQCLSA-N 2 1 262.397 2.405 20 0 CEADMP C[C@@H]1CC2(CC([NH2+]CC[C@H]3CCC[N@@H+](C)C3)C2)CO1 ZINC000926571835 625136368 /nfs/dbraw/zinc/13/63/68/625136368.db2.gz DLHQDOZJGPWDAO-WXLSXGNJSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000892510542 625742621 /nfs/dbraw/zinc/74/26/21/625742621.db2.gz MPRLTQYFHVJCAM-GFCCVEGCSA-N 2 1 287.411 2.228 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000892510543 625742929 /nfs/dbraw/zinc/74/29/29/625742929.db2.gz MPRLTQYFHVJCAM-LBPRGKRZSA-N 2 1 287.411 2.228 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C(C)(C)CO ZINC000924572563 625933613 /nfs/dbraw/zinc/93/36/13/625933613.db2.gz LELIIDFKDDQUPC-ZIAGYGMSSA-N 2 1 256.434 2.248 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)C[C@H]2CC[N@@H+](C)C2)cc1F ZINC000820597449 634467949 /nfs/dbraw/zinc/46/79/49/634467949.db2.gz UEEVSGZOVVLCDK-GFCCVEGCSA-N 2 1 293.386 2.168 20 0 CEADMP CCn1cnc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000902199662 634521901 /nfs/dbraw/zinc/52/19/01/634521901.db2.gz WTFOTRPFFHSWJD-AWEZNQCLSA-N 2 1 264.417 2.113 20 0 CEADMP CCNc1ccccc1CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902200543 634521919 /nfs/dbraw/zinc/52/19/19/634521919.db2.gz FYZGRKXMMVYYRQ-JKSUJKDBSA-N 2 1 289.423 2.071 20 0 CEADMP OC[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000820812286 634537793 /nfs/dbraw/zinc/53/77/93/634537793.db2.gz HSENKGLKQDKAFB-LWPACVMZSA-N 2 1 278.440 2.285 20 0 CEADMP Cc1nnc(CNCCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000892585223 627291804 /nfs/dbraw/zinc/29/18/04/627291804.db2.gz RNWYUTGFXHECAA-LBPRGKRZSA-N 2 1 282.457 2.448 20 0 CEADMP Cc1nnc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)s1 ZINC000892585223 627291810 /nfs/dbraw/zinc/29/18/10/627291810.db2.gz RNWYUTGFXHECAA-LBPRGKRZSA-N 2 1 282.457 2.448 20 0 CEADMP Cc1nnc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000892585223 627291811 /nfs/dbraw/zinc/29/18/11/627291811.db2.gz RNWYUTGFXHECAA-LBPRGKRZSA-N 2 1 282.457 2.448 20 0 CEADMP C[NH+](C)[C@@H](C[NH2+]CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000892598333 627299790 /nfs/dbraw/zinc/29/97/90/627299790.db2.gz YNFXKDZLGSXSBI-KRWDZBQOSA-N 3 1 281.488 2.428 20 0 CEADMP Cn1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(C2CC2)n1 ZINC000892621841 627318392 /nfs/dbraw/zinc/31/83/92/627318392.db2.gz GQJCRJCOIKAWIW-UHFFFAOYSA-N 2 1 288.439 2.262 20 0 CEADMP CCn1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c(C)n1 ZINC000892632133 627330847 /nfs/dbraw/zinc/33/08/47/627330847.db2.gz KCNLLLAMBIRSIH-CQSZACIVSA-N 2 1 278.444 2.423 20 0 CEADMP Cc1cc(C)cc(OCCC[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000310984064 627335988 /nfs/dbraw/zinc/33/59/88/627335988.db2.gz GKZIDCTUUBHWDB-AWEZNQCLSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1cc(C)cc(OCCC[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000310984064 627335991 /nfs/dbraw/zinc/33/59/91/627335991.db2.gz GKZIDCTUUBHWDB-AWEZNQCLSA-N 2 1 250.386 2.351 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)(C)O ZINC000393968823 627339784 /nfs/dbraw/zinc/33/97/84/627339784.db2.gz CFGIXPDDJLSRJK-HNNXBMFYSA-N 2 1 290.451 2.443 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2C2CC2)C1 ZINC000892744686 627745524 /nfs/dbraw/zinc/74/55/24/627745524.db2.gz CUILGBYMCVTDRC-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2C2CC2)C1 ZINC000892744686 627745530 /nfs/dbraw/zinc/74/55/30/627745530.db2.gz CUILGBYMCVTDRC-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@]2(C)Br)C1 ZINC000892946789 627878036 /nfs/dbraw/zinc/87/80/36/627878036.db2.gz NYDIJDKFLPXYIU-WOPDTQHZSA-N 2 1 275.234 2.091 20 0 CEADMP CCc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)s1 ZINC000328559494 627891166 /nfs/dbraw/zinc/89/11/66/627891166.db2.gz DRYXYZYIZSQGCQ-WDZICOIVSA-N 2 1 262.422 2.397 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(C)nc1C1CC1 ZINC000893028586 627954124 /nfs/dbraw/zinc/95/41/24/627954124.db2.gz GYQMXGJFKCOKBT-UHFFFAOYSA-N 2 1 287.411 2.372 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C12CCC2 ZINC000925515341 628053448 /nfs/dbraw/zinc/05/34/48/628053448.db2.gz HSLCLYARSRKAMH-RWMBFGLXSA-N 2 1 252.402 2.064 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000902393389 634632425 /nfs/dbraw/zinc/63/24/25/634632425.db2.gz QMKDJNZNRWINFG-HRCADAONSA-N 2 1 279.472 2.371 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000902393389 634632427 /nfs/dbraw/zinc/63/24/27/634632427.db2.gz QMKDJNZNRWINFG-HRCADAONSA-N 2 1 279.472 2.371 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000902392894 634632712 /nfs/dbraw/zinc/63/27/12/634632712.db2.gz LVKHXQUMHFCOGV-ZIAGYGMSSA-N 3 1 265.445 2.029 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925542756 628174937 /nfs/dbraw/zinc/17/49/37/628174937.db2.gz OXXHEQCQSVFLHU-NVXWUHKLSA-N 3 1 281.488 2.475 20 0 CEADMP Clc1cccc(OCC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000925587370 628266053 /nfs/dbraw/zinc/26/60/53/628266053.db2.gz YLNPCEXWISNXQP-QYPKEOEOSA-N 2 1 292.810 2.305 20 0 CEADMP COCCCC1(C[NH2+]CC2=CC[N@@H+](C)CC2)CCC1 ZINC000893302029 628276781 /nfs/dbraw/zinc/27/67/81/628276781.db2.gz BXGXKCGLNFPTHC-UHFFFAOYSA-N 2 1 266.429 2.435 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925608168 628289571 /nfs/dbraw/zinc/28/95/71/628289571.db2.gz ZYAMDYXFBWXDKC-KBPBESRZSA-N 3 1 255.450 2.212 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925608168 628289574 /nfs/dbraw/zinc/28/95/74/628289574.db2.gz ZYAMDYXFBWXDKC-KBPBESRZSA-N 3 1 255.450 2.212 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CC2([NH3+])CC2)ccc1OC(F)F ZINC000902417705 634643619 /nfs/dbraw/zinc/64/36/19/634643619.db2.gz ZBLKGQSWDBGUIY-SECBINFHSA-N 2 1 286.322 2.439 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc2c1NCCC2 ZINC000312484445 628286005 /nfs/dbraw/zinc/28/60/05/628286005.db2.gz UUMIDGKNTSGFKC-UHFFFAOYSA-N 2 1 270.380 2.339 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925608168 628289569 /nfs/dbraw/zinc/28/95/69/628289569.db2.gz ZYAMDYXFBWXDKC-KBPBESRZSA-N 2 1 255.450 2.212 20 0 CEADMP Cc1ncc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)s1 ZINC000925615720 628299894 /nfs/dbraw/zinc/29/98/94/628299894.db2.gz HYLPJOACAIYNNH-CYBMUJFWSA-N 2 1 265.426 2.258 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+]CCC[C@H](C)CO)c1ccccc1 ZINC000925627494 628321164 /nfs/dbraw/zinc/32/11/64/628321164.db2.gz AWZBCMUBLDTIII-YDHLFZDLSA-N 2 1 250.386 2.073 20 0 CEADMP C[C@@H]([NH3+])[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000925630458 628325552 /nfs/dbraw/zinc/32/55/52/628325552.db2.gz BTAHHLSSGIZCCB-ZBFHGGJFSA-N 3 1 275.440 2.396 20 0 CEADMP C[C@@H]([NH3+])[C@H](NCC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000925630458 628325556 /nfs/dbraw/zinc/32/55/56/628325556.db2.gz BTAHHLSSGIZCCB-ZBFHGGJFSA-N 2 1 275.440 2.396 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@H]1COC2(CCCCC2)O1 ZINC000925635814 628334114 /nfs/dbraw/zinc/33/41/14/628334114.db2.gz PEEQZSXYZREDEB-GJZGRUSLSA-N 2 1 294.439 2.327 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccccc1 ZINC000925645764 628345666 /nfs/dbraw/zinc/34/56/66/628345666.db2.gz RCFWZCVHUDWIQV-XNISGKROSA-N 2 1 262.397 2.216 20 0 CEADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925649987 628354182 /nfs/dbraw/zinc/35/41/82/628354182.db2.gz QMAISKQZUOAOEO-CYBMUJFWSA-N 2 1 254.418 2.192 20 0 CEADMP CC(C)C[NH2+]C1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001026560689 628357858 /nfs/dbraw/zinc/35/78/58/628357858.db2.gz BPINADAHWOXOCK-QQFBHYJXSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000925676622 628464954 /nfs/dbraw/zinc/46/49/54/628464954.db2.gz KPGRQJFBHXFHKZ-MFKMUULPSA-N 2 1 287.329 2.373 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000925676624 628465211 /nfs/dbraw/zinc/46/52/11/628465211.db2.gz KPGRQJFBHXFHKZ-ZWNOBZJWSA-N 2 1 287.329 2.373 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC2(CC1)OCCO2 ZINC000193374773 628474847 /nfs/dbraw/zinc/47/48/47/628474847.db2.gz SKZIZQSNURTZBN-HZPDHXFCSA-N 2 1 294.439 2.136 20 0 CEADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1(O)CCCC1 ZINC000925692317 628510474 /nfs/dbraw/zinc/51/04/74/628510474.db2.gz OMLPOBYYKXRFPG-CYBMUJFWSA-N 2 1 266.429 2.192 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)C[C@H](C)O1 ZINC000931315974 628516287 /nfs/dbraw/zinc/51/62/87/628516287.db2.gz FFDOMHBQZRSGBA-BIVLZKPYSA-N 2 1 280.456 2.464 20 0 CEADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1([NH3+])CC1)CC3 ZINC000902414585 634663202 /nfs/dbraw/zinc/66/32/02/634663202.db2.gz XVYKSRMAUHPGIA-GFCCVEGCSA-N 2 1 269.392 2.415 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000925706044 628552575 /nfs/dbraw/zinc/55/25/75/628552575.db2.gz DVUTZYLNEYELRZ-BSWAZPDLSA-N 2 1 274.408 2.289 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCCO1 ZINC000925714635 628572582 /nfs/dbraw/zinc/57/25/82/628572582.db2.gz SYKDJKYWWIODEX-MELADBBJSA-N 2 1 252.402 2.208 20 0 CEADMP C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902475365 634666561 /nfs/dbraw/zinc/66/65/61/634666561.db2.gz JSVZFTLQJUXZSE-SXXASDTRSA-N 2 1 299.462 2.380 20 0 CEADMP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902446838 634670120 /nfs/dbraw/zinc/67/01/20/634670120.db2.gz VLCCCCLIITYQCD-FZMZJTMJSA-N 2 1 250.361 2.344 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000902479414 634669655 /nfs/dbraw/zinc/66/96/55/634669655.db2.gz XMFPICOMXIDUGK-ZFWWWQNUSA-N 2 1 277.412 2.143 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000902448390 634671134 /nfs/dbraw/zinc/67/11/34/634671134.db2.gz FPJHNJCSJUOMAQ-OIISXLGYSA-N 2 1 287.451 2.410 20 0 CEADMP CC1(C)C[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000902448133 634671478 /nfs/dbraw/zinc/67/14/78/634671478.db2.gz CPBDNYIPEJHZQT-INIZCTEOSA-N 2 1 273.424 2.243 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH+]2CCN(c3cccc(F)c3)CC2)C12CCC2 ZINC000925727405 628646554 /nfs/dbraw/zinc/64/65/54/628646554.db2.gz OZOYBICRYCMRAZ-JKSUJKDBSA-N 2 1 289.398 2.218 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000902452089 634674485 /nfs/dbraw/zinc/67/44/85/634674485.db2.gz ZMXUPNUDXYFMFY-OIISXLGYSA-N 2 1 287.451 2.237 20 0 CEADMP CC1(C)CC[N@@H+](CCN[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902458985 634680100 /nfs/dbraw/zinc/68/01/00/634680100.db2.gz ZURPAPWXFUPROL-AWEZNQCLSA-N 2 1 267.461 2.086 20 0 CEADMP CC1(C)CCN(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902458985 634680105 /nfs/dbraw/zinc/68/01/05/634680105.db2.gz ZURPAPWXFUPROL-AWEZNQCLSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cscc1Cl ZINC000925772652 628778181 /nfs/dbraw/zinc/77/81/81/628778181.db2.gz TUZPIQQPJGENJQ-PTOFAABTSA-N 2 1 274.817 2.243 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000893602841 628780910 /nfs/dbraw/zinc/78/09/10/628780910.db2.gz RPVRNHLBRDENRE-MRXNPFEDSA-N 2 1 288.435 2.153 20 0 CEADMP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925780942 628807168 /nfs/dbraw/zinc/80/71/68/628807168.db2.gz CEXUTCOAYHOIFG-AAVRWANBSA-N 2 1 254.418 2.024 20 0 CEADMP CNc1ccc(C)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000902470420 634686562 /nfs/dbraw/zinc/68/65/62/634686562.db2.gz WWVJQSKOYDNPNU-UHFFFAOYSA-N 2 1 259.397 2.388 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(CC)CC ZINC000902471003 634687744 /nfs/dbraw/zinc/68/77/44/634687744.db2.gz IWNUZJNMEZAXAU-JARUQAPTSA-N 2 1 266.429 2.453 20 0 CEADMP C1CC1[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CCC1 ZINC000925792585 628838082 /nfs/dbraw/zinc/83/80/82/628838082.db2.gz AXVFFCYJFNQPEL-JKSUJKDBSA-N 2 1 278.440 2.313 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925824713 628894118 /nfs/dbraw/zinc/89/41/18/628894118.db2.gz UNTFETQGODQALF-SOEBMCCKSA-N 3 1 279.472 2.371 20 0 CEADMP Cc1cc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)nn1C ZINC000925831118 628925295 /nfs/dbraw/zinc/92/52/95/628925295.db2.gz CFNBRYQQZNVQBH-SJLPKXTDSA-N 2 1 298.434 2.354 20 0 CEADMP C[C@H]([NH2+]CCN1CCc2ccccc21)c1c[nH+]ccc1N ZINC000925836697 628934258 /nfs/dbraw/zinc/93/42/58/628934258.db2.gz LTIUHHYGAOPLNK-ZDUSSCGKSA-N 2 1 282.391 2.207 20 0 CEADMP c1cc2c(o1)CCC[C@H]2[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925848104 628951912 /nfs/dbraw/zinc/95/19/12/628951912.db2.gz ZZTJXNKUUYUHDR-MRXNPFEDSA-N 2 1 291.439 2.322 20 0 CEADMP Cc1cc(F)c(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(F)c1 ZINC000925873576 628972662 /nfs/dbraw/zinc/97/26/62/628972662.db2.gz CBUMKGNUSKERIA-IINYFYTJSA-N 2 1 254.324 2.490 20 0 CEADMP Cc1noc2ncc(C[N@@H+](C)CC3CC[NH+](C)CC3)cc12 ZINC000894001196 629082540 /nfs/dbraw/zinc/08/25/40/629082540.db2.gz DTUBZCMKFQUZHN-UHFFFAOYSA-N 2 1 288.395 2.305 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2n[nH]c(C)c2C)[C@@H](C)C1 ZINC000894050045 629102965 /nfs/dbraw/zinc/10/29/65/629102965.db2.gz LCOTYNHDVCVNNA-XHDPSFHLSA-N 2 1 264.417 2.189 20 0 CEADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261804482 629248221 /nfs/dbraw/zinc/24/82/21/629248221.db2.gz ZCLKOQDBEDPEQK-DLBZAZTESA-N 2 1 291.414 2.256 20 0 CEADMP COc1ccc2c(c1)OCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC000894277268 629296524 /nfs/dbraw/zinc/29/65/24/629296524.db2.gz HBDVVDTZOHTALZ-UHFFFAOYSA-N 2 1 290.407 2.231 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000925009971 629349100 /nfs/dbraw/zinc/34/91/00/629349100.db2.gz JWAXFAYRWDVMQE-XJKSGUPXSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc2c1OCO2 ZINC000925013263 629354024 /nfs/dbraw/zinc/35/40/24/629354024.db2.gz ZTLPHGANHSHFLE-STQMWFEESA-N 2 1 276.380 2.408 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc2c1OCO2 ZINC000925013263 629354030 /nfs/dbraw/zinc/35/40/30/629354030.db2.gz ZTLPHGANHSHFLE-STQMWFEESA-N 2 1 276.380 2.408 20 0 CEADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000795087243 629432246 /nfs/dbraw/zinc/43/22/46/629432246.db2.gz SJSQYBWGCMIRFI-YJBOKZPZSA-N 2 1 297.402 2.326 20 0 CEADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000795087238 629433735 /nfs/dbraw/zinc/43/37/35/629433735.db2.gz SJSQYBWGCMIRFI-CRAIPNDOSA-N 2 1 297.402 2.326 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000894455123 629472719 /nfs/dbraw/zinc/47/27/19/629472719.db2.gz FIADRXJWIATBMY-KGLIPLIRSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)CCCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000894465603 629477329 /nfs/dbraw/zinc/47/73/29/629477329.db2.gz OIDAVPNRXOUNED-UHFFFAOYSA-N 2 1 269.477 2.382 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc[nH]c(=O)c1 ZINC000894471611 629480027 /nfs/dbraw/zinc/48/00/27/629480027.db2.gz LMSFDKRXUXKJBP-UHFFFAOYSA-N 2 1 265.401 2.341 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000894553474 629531104 /nfs/dbraw/zinc/53/11/04/629531104.db2.gz QPUCCBDLZZXRTP-HOTGVXAUSA-N 2 1 278.440 2.362 20 0 CEADMP CO[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C12CCC2 ZINC000894753086 629621455 /nfs/dbraw/zinc/62/14/55/629621455.db2.gz ITJANQLPVOLEHL-HUUCEWRRSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](C)CCC[N@H+](C)Cc1cccc2c1CCOC2 ZINC000894764862 629630863 /nfs/dbraw/zinc/63/08/63/629630863.db2.gz VWHWGURJXBSJDH-UHFFFAOYSA-N 2 1 262.397 2.143 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc2c1CCOC2 ZINC000894764862 629630867 /nfs/dbraw/zinc/63/08/67/629630867.db2.gz VWHWGURJXBSJDH-UHFFFAOYSA-N 2 1 262.397 2.143 20 0 CEADMP COC(=O)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC(C)C ZINC000894790702 629636930 /nfs/dbraw/zinc/63/69/30/629636930.db2.gz LKJCYPGESACLAG-RRFJBIMHSA-N 2 1 282.428 2.038 20 0 CEADMP CC[C@@H](C[NH2+]CC1CCC2(CC1)OCCO2)[NH+]1CCCC1 ZINC000795894627 629700255 /nfs/dbraw/zinc/70/02/55/629700255.db2.gz QCNRLBYFGLVMMD-INIZCTEOSA-N 2 1 296.455 2.384 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795895056 629700345 /nfs/dbraw/zinc/70/03/45/629700345.db2.gz HPILBASVALDPKH-UHFFFAOYSA-N 2 1 284.444 2.240 20 0 CEADMP C[N@@H+](C[C@H](O)CN1CCCC1)C(C)(C)c1ccccc1 ZINC000792924304 629732568 /nfs/dbraw/zinc/73/25/68/629732568.db2.gz ICLDOFBWCZYDKJ-INIZCTEOSA-N 2 1 276.424 2.310 20 0 CEADMP CN(C[C@H](O)C[NH+]1CCCC1)C(C)(C)c1ccccc1 ZINC000792924304 629732573 /nfs/dbraw/zinc/73/25/73/629732573.db2.gz ICLDOFBWCZYDKJ-INIZCTEOSA-N 2 1 276.424 2.310 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C(C)(C)c1ccccc1 ZINC000792924304 629732578 /nfs/dbraw/zinc/73/25/78/629732578.db2.gz ICLDOFBWCZYDKJ-INIZCTEOSA-N 2 1 276.424 2.310 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C(C)(C)c1ccccc1 ZINC000792924304 629732581 /nfs/dbraw/zinc/73/25/81/629732581.db2.gz ICLDOFBWCZYDKJ-INIZCTEOSA-N 2 1 276.424 2.310 20 0 CEADMP C[C@H](CC[NH2+]Cc1ccc(N2CCCC2)nc1)[NH+](C)C ZINC000895298433 630087399 /nfs/dbraw/zinc/08/73/99/630087399.db2.gz VSWXZXHXZIYEKN-CQSZACIVSA-N 2 1 276.428 2.112 20 0 CEADMP C[C@H](CC[NH2+]Cc1ccc2c(c1)ncn2C)[NH+](C)C ZINC000895297507 630090218 /nfs/dbraw/zinc/09/02/18/630090218.db2.gz YABHYPBIKQWEAO-GFCCVEGCSA-N 2 1 260.385 2.003 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000895463623 630205661 /nfs/dbraw/zinc/20/56/61/630205661.db2.gz YNRCEIQMLIUSSR-JKLZFGKPSA-N 2 1 294.439 2.323 20 0 CEADMP CC1(O)CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000895479180 630214300 /nfs/dbraw/zinc/21/43/00/630214300.db2.gz LKYCDVZTFRSZIZ-KLAILNCOSA-N 2 1 280.456 2.392 20 0 CEADMP CO[C@@](C)(C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C1CC1 ZINC000895556493 630247668 /nfs/dbraw/zinc/24/76/68/630247668.db2.gz JAADTCOGUFQQNS-YOEHRIQHSA-N 2 1 289.423 2.407 20 0 CEADMP C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1CC1CC[NH+](C)CC1 ZINC000895815725 630359641 /nfs/dbraw/zinc/35/96/41/630359641.db2.gz FHZJZCHADWBUNJ-CYBMUJFWSA-N 2 1 287.407 2.171 20 0 CEADMP C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000895815725 630359646 /nfs/dbraw/zinc/35/96/46/630359646.db2.gz FHZJZCHADWBUNJ-CYBMUJFWSA-N 2 1 287.407 2.171 20 0 CEADMP FC(F)(F)OCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000883428875 630590203 /nfs/dbraw/zinc/59/02/03/630590203.db2.gz FRAGTGUTVFYWES-RYUDHWBXSA-N 2 1 280.334 2.234 20 0 CEADMP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000984887766 630686937 /nfs/dbraw/zinc/68/69/37/630686937.db2.gz NECXFFVBODXYQW-BZUAXINKSA-N 2 1 295.471 2.142 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CS[C@H](C(C)C)C1)C[NH+](C)C ZINC000896880018 630699124 /nfs/dbraw/zinc/69/91/24/630699124.db2.gz LFBDJWJOWWKPFH-MCIONIFRSA-N 2 1 274.474 2.073 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925137779 630754273 /nfs/dbraw/zinc/75/42/73/630754273.db2.gz ALXMMGFQELOXBD-IJEWVQPXSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925137779 630754276 /nfs/dbraw/zinc/75/42/76/630754276.db2.gz ALXMMGFQELOXBD-IJEWVQPXSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]1CCC[C@@](C[NH2+]CC2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000054243458 630754996 /nfs/dbraw/zinc/75/49/96/630754996.db2.gz OIQXMFKUDIRAMG-DOTOQJQBSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000904323104 635569160 /nfs/dbraw/zinc/56/91/60/635569160.db2.gz MNLUKQPLTQWSLJ-MPTQWLOMSA-N 2 1 278.371 2.325 20 0 CEADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000800971280 631155597 /nfs/dbraw/zinc/15/55/97/631155597.db2.gz IUDGCXLEKQMYBA-SVGFKBNWSA-N 2 1 278.440 2.408 20 0 CEADMP O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262574190 631158099 /nfs/dbraw/zinc/15/80/99/631158099.db2.gz XUVLLBNWCRXNTP-INIZCTEOSA-N 2 1 299.418 2.015 20 0 CEADMP CC[N@@H+](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000985734178 631178529 /nfs/dbraw/zinc/17/85/29/631178529.db2.gz HBQKBPCYJGGCMT-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897535540 631686735 /nfs/dbraw/zinc/68/67/35/631686735.db2.gz AGAYUINMAMKSOT-FXUDXRNXSA-N 2 1 266.429 2.144 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806161556 631722078 /nfs/dbraw/zinc/72/20/78/631722078.db2.gz ZXMNGUABNHVCNB-GFCCVEGCSA-N 2 1 276.771 2.288 20 0 CEADMP C[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000806539352 631751151 /nfs/dbraw/zinc/75/11/51/631751151.db2.gz AOAOPCUKZNDUON-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000897582120 631795757 /nfs/dbraw/zinc/79/57/57/631795757.db2.gz ZADDKGCWXKOAPZ-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000897582120 631795762 /nfs/dbraw/zinc/79/57/62/631795762.db2.gz ZADDKGCWXKOAPZ-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000897582120 631795765 /nfs/dbraw/zinc/79/57/65/631795765.db2.gz ZADDKGCWXKOAPZ-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](Cc1cccnc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000897967837 631995425 /nfs/dbraw/zinc/99/54/25/631995425.db2.gz ZHGJZYJAUQXCLW-CYBMUJFWSA-N 2 1 259.397 2.229 20 0 CEADMP COc1cncc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000808756797 632013979 /nfs/dbraw/zinc/01/39/79/632013979.db2.gz XJCHAGCIYXXTMM-UHFFFAOYSA-N 2 1 289.423 2.398 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc([C@@H](C)O)s2)C1 ZINC000809610385 632109655 /nfs/dbraw/zinc/10/96/55/632109655.db2.gz ZBPDMGRZFXNUKE-NEPJUHHUSA-N 2 1 283.441 2.018 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc([C@@H](C)O)s2)C1 ZINC000809610385 632109658 /nfs/dbraw/zinc/10/96/58/632109658.db2.gz ZBPDMGRZFXNUKE-NEPJUHHUSA-N 2 1 283.441 2.018 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cncnc2)cc1 ZINC000809738740 632135423 /nfs/dbraw/zinc/13/54/23/632135423.db2.gz HERCALJIHOPTAJ-UHFFFAOYSA-N 2 1 270.380 2.170 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cncnc2)cc1 ZINC000809738740 632135428 /nfs/dbraw/zinc/13/54/28/632135428.db2.gz HERCALJIHOPTAJ-UHFFFAOYSA-N 2 1 270.380 2.170 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(F)nc1 ZINC000809752534 632140809 /nfs/dbraw/zinc/14/08/09/632140809.db2.gz FPFSBLRPFNCKKA-UHFFFAOYSA-N 2 1 262.332 2.248 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(F)nc1 ZINC000809752534 632140815 /nfs/dbraw/zinc/14/08/15/632140815.db2.gz FPFSBLRPFNCKKA-UHFFFAOYSA-N 2 1 262.332 2.248 20 0 CEADMP CON1CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000323054761 632272428 /nfs/dbraw/zinc/27/24/28/632272428.db2.gz ISUWWOQOXOHJAX-GOEBONIOSA-N 2 1 283.460 2.112 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]1C(C)C)C[NH+](C)C ZINC000926959209 632387014 /nfs/dbraw/zinc/38/70/14/632387014.db2.gz ACENIGNYMSNPQB-RBSFLKMASA-N 2 1 256.434 2.367 20 0 CEADMP CCO[C@H](C[NH2+][C@@H](C)Cc1ccc(OC)cc1)C[NH+](C)C ZINC000926960681 632388240 /nfs/dbraw/zinc/38/82/40/632388240.db2.gz GMEHYNUKENDTLZ-WMLDXEAASA-N 2 1 294.439 2.183 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CC3(O)CCCCC3)C2)C1 ZINC000815143122 632970985 /nfs/dbraw/zinc/97/09/85/632970985.db2.gz FCTZOQAEMWJNFG-HNNXBMFYSA-N 2 1 266.429 2.099 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC3(O)CCCCC3)C2)C1 ZINC000815143122 632970986 /nfs/dbraw/zinc/97/09/86/632970986.db2.gz FCTZOQAEMWJNFG-HNNXBMFYSA-N 2 1 266.429 2.099 20 0 CEADMP [NH3+]C1(c2noc(-c3ccc(C[NH+]4CCCCC4)o3)n2)CC1 ZINC000900017270 633178507 /nfs/dbraw/zinc/17/85/07/633178507.db2.gz AQIDBQYYEQTFRH-UHFFFAOYSA-N 2 1 288.351 2.263 20 0 CEADMP Cc1cc(N[C@@H]2Cc3ccccc3[C@H]2[NH3+])nc(C)[nH+]1 ZINC000900021540 633185393 /nfs/dbraw/zinc/18/53/93/633185393.db2.gz XIQFDJBWOBVNAS-UKRRQHHQSA-N 2 1 254.337 2.130 20 0 CEADMP CCc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[nH]n1 ZINC000817892824 633755284 /nfs/dbraw/zinc/75/52/84/633755284.db2.gz QCPMAPPYXWTAAP-ARFHVFGLSA-N 2 1 276.428 2.373 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1c[nH+]ccc1N ZINC000817913847 633772101 /nfs/dbraw/zinc/77/21/01/633772101.db2.gz NASWOYJJOOAESL-SCLBCKFNSA-N 2 1 297.402 2.369 20 0 CEADMP C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000817913433 633772284 /nfs/dbraw/zinc/77/22/84/633772284.db2.gz PFPRBIJEVGBCNS-MROQNXINSA-N 2 1 268.426 2.290 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@H+]1CCC[C@H]1C ZINC000817914395 633773418 /nfs/dbraw/zinc/77/34/18/633773418.db2.gz WALCVAHSNDWSDE-VYDXJSESSA-N 2 1 275.440 2.019 20 0 CEADMP CC[C@@H]([NH2+]C[C@](C)(O)c1cccs1)[C@@H]1CCC[NH2+]1 ZINC000817914702 633774048 /nfs/dbraw/zinc/77/40/48/633774048.db2.gz XVOJXWALZXYHSK-DYEKYZERSA-N 2 1 268.426 2.076 20 0 CEADMP CC(C)C[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)[NH+](C)C ZINC000900684285 633808043 /nfs/dbraw/zinc/80/80/43/633808043.db2.gz LZGPBWNZYCTESA-XHSDSOJGSA-N 2 1 295.471 2.096 20 0 CEADMP CCOc1cccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000817980022 633823479 /nfs/dbraw/zinc/82/34/79/633823479.db2.gz HPAZOCFCKBNPOH-CZUORRHYSA-N 2 1 278.396 2.114 20 0 CEADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1C ZINC000817981714 633824314 /nfs/dbraw/zinc/82/43/14/633824314.db2.gz NAXHKFRANYICDW-HUUCEWRRSA-N 2 1 292.423 2.341 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)C1CC1 ZINC000818959559 634017914 /nfs/dbraw/zinc/01/79/14/634017914.db2.gz NWTIOPZWPHCSDE-HIFRSBDPSA-N 2 1 254.418 2.002 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)c1ccc(F)cc1C ZINC000818968334 634022103 /nfs/dbraw/zinc/02/21/03/634022103.db2.gz RAROQSIXXXUKCU-MRXNPFEDSA-N 2 1 291.370 2.352 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000818973131 634022534 /nfs/dbraw/zinc/02/25/34/634022534.db2.gz RWNUYATUUJTORH-DYVFJYSZSA-N 2 1 292.398 2.241 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000818989849 634031172 /nfs/dbraw/zinc/03/11/72/634031172.db2.gz VHLGUEVIFGYREX-AWEZNQCLSA-N 2 1 297.761 2.307 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)C2CC2)[C@H]1c1cccs1 ZINC000819101022 634069040 /nfs/dbraw/zinc/06/90/40/634069040.db2.gz KZETVEVDLJIGES-YCPHGPKFSA-N 2 1 294.464 2.492 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)C2CC2)[C@H]1c1cccs1 ZINC000819101022 634069043 /nfs/dbraw/zinc/06/90/43/634069043.db2.gz KZETVEVDLJIGES-YCPHGPKFSA-N 2 1 294.464 2.492 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000819151939 634086329 /nfs/dbraw/zinc/08/63/29/634086329.db2.gz IOZWZIIVNFYYBL-YOEHRIQHSA-N 2 1 294.414 2.427 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000819151936 634086810 /nfs/dbraw/zinc/08/68/10/634086810.db2.gz IOZWZIIVNFYYBL-PBHICJAKSA-N 2 1 294.414 2.427 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C1=CC[N@@H+](C)CC1 ZINC000819219430 634108574 /nfs/dbraw/zinc/10/85/74/634108574.db2.gz DNVFOYGEHKLUNS-BLLLJJGKSA-N 2 1 278.371 2.099 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000819309105 634135077 /nfs/dbraw/zinc/13/50/77/634135077.db2.gz KXASILSQJCHNFI-HZPDHXFCSA-N 2 1 276.424 2.258 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000819309105 634135078 /nfs/dbraw/zinc/13/50/78/634135078.db2.gz KXASILSQJCHNFI-HZPDHXFCSA-N 2 1 276.424 2.258 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC000819366030 634156525 /nfs/dbraw/zinc/15/65/25/634156525.db2.gz HFPNJNJDCOCLOX-XJKSGUPXSA-N 2 1 280.387 2.181 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000819365788 634157327 /nfs/dbraw/zinc/15/73/27/634157327.db2.gz ANDIUOMFDQJVSE-GDBMZVCRSA-N 2 1 262.397 2.042 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902799152 634838476 /nfs/dbraw/zinc/83/84/76/634838476.db2.gz AGHRROYZJPWCEI-YVSFHVDLSA-N 2 1 280.456 2.392 20 0 CEADMP CCO[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000902799944 634839321 /nfs/dbraw/zinc/83/93/21/634839321.db2.gz ICMDGRULGNBDME-IXDOHACOSA-N 2 1 298.471 2.161 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000251741528 634981520 /nfs/dbraw/zinc/98/15/20/634981520.db2.gz TYBUOOYESDLZPQ-VNHYZAJKSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1nccnc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903178627 635000485 /nfs/dbraw/zinc/00/04/85/635000485.db2.gz XTZCNLSTYGRJMS-VHRNVKJDSA-N 2 1 286.423 2.075 20 0 CEADMP COC[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903221838 635022231 /nfs/dbraw/zinc/02/22/31/635022231.db2.gz UQZWMJQBHSCTSK-PBJJAMBFSA-N 2 1 264.413 2.159 20 0 CEADMP CO[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCSC1 ZINC000903224116 635023916 /nfs/dbraw/zinc/02/39/16/635023916.db2.gz QBGLUDGCJAIJEH-WDVRLDOZSA-N 2 1 296.480 2.256 20 0 CEADMP CCC[C@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903228826 635027846 /nfs/dbraw/zinc/02/78/46/635027846.db2.gz XJGGXDAQCACUJG-WDVRLDOZSA-N 2 1 266.429 2.285 20 0 CEADMP CC/C(C)=C\C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000822952776 635033899 /nfs/dbraw/zinc/03/38/99/635033899.db2.gz YCSYOKGTPPEBGY-UGEDRFTOSA-N 2 1 295.471 2.217 20 0 CEADMP C[C@H]1[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1C ZINC000903302030 635049025 /nfs/dbraw/zinc/04/90/25/635049025.db2.gz XJMHQJNENSCKKG-YOEHRIQHSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H]1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1C ZINC000903302030 635049028 /nfs/dbraw/zinc/04/90/28/635049028.db2.gz XJMHQJNENSCKKG-YOEHRIQHSA-N 2 1 279.472 2.466 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@H](CO)CCc2ccccc2)[C@@H](C)C1 ZINC000903290473 635053992 /nfs/dbraw/zinc/05/39/92/635053992.db2.gz WTECYHNJZWQXLW-RYQLBKOJSA-N 2 1 290.451 2.300 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCN1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000903321334 635055114 /nfs/dbraw/zinc/05/51/14/635055114.db2.gz CCYXZOODDIGWPE-RYQLBKOJSA-N 2 1 287.451 2.191 20 0 CEADMP CC[C@@H](C[NH2+]C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000903354244 635082420 /nfs/dbraw/zinc/08/24/20/635082420.db2.gz KNWHSRPUDYMYGY-LBPRGKRZSA-N 2 1 270.417 2.038 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](CCO)[C@@H]2CCc3ccccc32)C1 ZINC000903438505 635117488 /nfs/dbraw/zinc/11/74/88/635117488.db2.gz WUXFXRDWMVJMJA-YSVLISHTSA-N 2 1 274.408 2.096 20 0 CEADMP C[C@]1(c2ccccc2)C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903438306 635117903 /nfs/dbraw/zinc/11/79/03/635117903.db2.gz UIZARSARRYEHAS-HYVNUMGLSA-N 2 1 274.408 2.361 20 0 CEADMP CCS[C@H]1CC[C@@H]([N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903441464 635120762 /nfs/dbraw/zinc/12/07/62/635120762.db2.gz TXGWMJQLCCCADF-RQJABVFESA-N 2 1 256.459 2.448 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000903443832 635129573 /nfs/dbraw/zinc/12/95/73/635129573.db2.gz JJUMTQNJIPMGOK-NJAFHUGGSA-N 2 1 287.451 2.048 20 0 CEADMP Cc1nc(C(C)(C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)sc1C ZINC000903444928 635130560 /nfs/dbraw/zinc/13/05/60/635130560.db2.gz FHMLWGKMFVJHSL-SKDRFNHKSA-N 2 1 267.442 2.440 20 0 CEADMP C[N@H+](Cc1cc(Cl)cc2ccccc21)C[C@H](O)C[NH3+] ZINC000903453710 635136966 /nfs/dbraw/zinc/13/69/66/635136966.db2.gz JBDIGMWMKQWRHZ-CQSZACIVSA-N 2 1 278.783 2.245 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000903457079 635140378 /nfs/dbraw/zinc/14/03/78/635140378.db2.gz MQURMZJXTOGPQR-VYDXJSESSA-N 2 1 273.424 2.418 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000903471994 635143131 /nfs/dbraw/zinc/14/31/31/635143131.db2.gz ONSYLQCWKXSXKC-ZIAGYGMSSA-N 2 1 252.402 2.066 20 0 CEADMP CC(C)C[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)CC1CC[NH+](C)CC1 ZINC000903476121 635144802 /nfs/dbraw/zinc/14/48/02/635144802.db2.gz OACWNTZMCYEQPA-WBVHZDCISA-N 3 1 281.488 2.142 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494875 635157627 /nfs/dbraw/zinc/15/76/27/635157627.db2.gz OHZGJGOCDZOZGY-HZPDHXFCSA-N 2 1 297.487 2.044 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496430 635158045 /nfs/dbraw/zinc/15/80/45/635158045.db2.gz NJKJEIWBKDHUOF-HZPDHXFCSA-N 2 1 297.487 2.332 20 0 CEADMP Cc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903511072 635158580 /nfs/dbraw/zinc/15/85/80/635158580.db2.gz NELVAIRSCBDBMR-KDURUIRLSA-N 2 1 299.462 2.396 20 0 CEADMP Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903511072 635158585 /nfs/dbraw/zinc/15/85/85/635158585.db2.gz NELVAIRSCBDBMR-KDURUIRLSA-N 2 1 299.462 2.396 20 0 CEADMP Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903511072 635158589 /nfs/dbraw/zinc/15/85/89/635158589.db2.gz NELVAIRSCBDBMR-KDURUIRLSA-N 2 1 299.462 2.396 20 0 CEADMP CCC(CC)[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903721971 635234805 /nfs/dbraw/zinc/23/48/05/635234805.db2.gz GOWACYAGNDLTLK-HZPDHXFCSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722423 635236188 /nfs/dbraw/zinc/23/61/88/635236188.db2.gz AOCNRHGKAGNJPA-JYJNAYRXSA-N 2 1 266.429 2.266 20 0 CEADMP COc1cc(C[N@@H+](C)C[C@H]2CCCC[NH2+]C2)ccc1O ZINC000903723887 635237367 /nfs/dbraw/zinc/23/73/67/635237367.db2.gz JFTZBTRENVWICC-AWEZNQCLSA-N 2 1 278.396 2.222 20 0 CEADMP Cc1cccc(C[N@@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903724931 635238397 /nfs/dbraw/zinc/23/83/97/635238397.db2.gz SKAYYSQJUABJMV-SJORKVTESA-N 2 1 274.408 2.195 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1)c1ccccc1 ZINC000903729860 635242354 /nfs/dbraw/zinc/24/23/54/635242354.db2.gz RPPMQJLMZBMYBQ-NXHRZFHOSA-N 2 1 288.435 2.491 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000903712774 635244496 /nfs/dbraw/zinc/24/44/96/635244496.db2.gz SAMMNLHIDGILGV-HOTGVXAUSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@@H]1Cc2ccccc2C[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903734177 635250485 /nfs/dbraw/zinc/25/04/85/635250485.db2.gz PMBGWNXALGPNRF-ZTFGCOKTSA-N 2 1 286.419 2.202 20 0 CEADMP CC(C)CO[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903734392 635250669 /nfs/dbraw/zinc/25/06/69/635250669.db2.gz YTNXCOIRYPKADB-LSDHHAIUSA-N 2 1 254.418 2.123 20 0 CEADMP OCCC[N@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903762872 635257069 /nfs/dbraw/zinc/25/70/69/635257069.db2.gz GAERCHIXNIZNTK-QGZVFWFLSA-N 2 1 276.424 2.261 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](CC)CO1 ZINC000903762630 635257373 /nfs/dbraw/zinc/25/73/73/635257373.db2.gz BORUSZPDIINPDL-XHSDSOJGSA-N 2 1 296.455 2.035 20 0 CEADMP CC1CC(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000903769563 635259619 /nfs/dbraw/zinc/25/96/19/635259619.db2.gz JFTBXAPWXZCZIA-QQFIATSDSA-N 2 1 264.335 2.492 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903757419 635260690 /nfs/dbraw/zinc/26/06/90/635260690.db2.gz ZRXBXLQHJBNZAD-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903774903 635264690 /nfs/dbraw/zinc/26/46/90/635264690.db2.gz BHQFWSDOIAYZSW-YEDUIURYSA-N 2 1 278.440 2.433 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2ccc(F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000903777027 635265023 /nfs/dbraw/zinc/26/50/23/635265023.db2.gz ZDTQOVCQCQFYPK-GHMZBOCLSA-N 2 1 286.778 2.385 20 0 CEADMP FC(F)(F)[C@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903777800 635266026 /nfs/dbraw/zinc/26/60/26/635266026.db2.gz GAWLOLNAQIJZOM-RWMBFGLXSA-N 2 1 292.345 2.029 20 0 CEADMP C[N@@H+](CCc1ccc2c(c1)OCO2)C[C@@H]1CCCC[NH2+]C1 ZINC000903784005 635268965 /nfs/dbraw/zinc/26/89/65/635268965.db2.gz ISFNRAASQMTOSL-OAHLLOKOSA-N 2 1 290.407 2.279 20 0 CEADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000903789019 635271088 /nfs/dbraw/zinc/27/10/88/635271088.db2.gz STERWJQJJCCFKM-TVFCKZIOSA-N 2 1 290.451 2.266 20 0 CEADMP COCCCC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903814466 635272619 /nfs/dbraw/zinc/27/26/19/635272619.db2.gz LXOLNMGZVLAXNX-AWEZNQCLSA-N 2 1 254.418 2.397 20 0 CEADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903816344 635273234 /nfs/dbraw/zinc/27/32/34/635273234.db2.gz YOFUVJOVCHIXQL-GJZGRUSLSA-N 2 1 295.471 2.131 20 0 CEADMP CC(C)[C@H](C)NC(=O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903816344 635273235 /nfs/dbraw/zinc/27/32/35/635273235.db2.gz YOFUVJOVCHIXQL-GJZGRUSLSA-N 2 1 295.471 2.131 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2CCc1ccc2c(c1)CCO2 ZINC000903797406 635275159 /nfs/dbraw/zinc/27/51/59/635275159.db2.gz HIEQEHNNVMZKKG-SJLPKXTDSA-N 2 1 286.419 2.367 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CCc1ccc2c(c1)CCO2 ZINC000903797406 635275165 /nfs/dbraw/zinc/27/51/65/635275165.db2.gz HIEQEHNNVMZKKG-SJLPKXTDSA-N 2 1 286.419 2.367 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2C[C@H]2CCOC2)CCC1 ZINC000903810574 635284228 /nfs/dbraw/zinc/28/42/28/635284228.db2.gz FGKSVXBXEMBYBP-ZIAGYGMSSA-N 2 1 252.402 2.006 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@@H]2CCOC2)CCC1 ZINC000903810571 635285354 /nfs/dbraw/zinc/28/53/54/635285354.db2.gz FGKSVXBXEMBYBP-KBPBESRZSA-N 2 1 252.402 2.006 20 0 CEADMP Cc1cccc(C)c1C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903825682 635293389 /nfs/dbraw/zinc/29/33/89/635293389.db2.gz CLIYPMOLMBLTAH-OAHLLOKOSA-N 2 1 274.408 2.256 20 0 CEADMP Cn1cc([C@H]2CSCCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000903829431 635295544 /nfs/dbraw/zinc/29/55/44/635295544.db2.gz GRQBOAPLLGVFNA-VHDGCEQUSA-N 2 1 294.468 2.028 20 0 CEADMP c1csc(C[C@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000903832864 635296856 /nfs/dbraw/zinc/29/68/56/635296856.db2.gz SDNDCNNQTLTWKV-GFCCVEGCSA-N 2 1 265.426 2.150 20 0 CEADMP c1csc(C[C@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000903832864 635296860 /nfs/dbraw/zinc/29/68/60/635296860.db2.gz SDNDCNNQTLTWKV-GFCCVEGCSA-N 2 1 265.426 2.150 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@]23CC[NH2+]C3)c1C ZINC000903868572 635301212 /nfs/dbraw/zinc/30/12/12/635301212.db2.gz ZZYBMFATKRLTNN-MRXNPFEDSA-N 2 1 275.396 2.035 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccncc1Cl)C2 ZINC000903843907 635302745 /nfs/dbraw/zinc/30/27/45/635302745.db2.gz WQRXFGDRJOTINW-DLOVCJGASA-N 2 1 251.761 2.047 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccncc1Cl)C2 ZINC000903843907 635302750 /nfs/dbraw/zinc/30/27/50/635302750.db2.gz WQRXFGDRJOTINW-DLOVCJGASA-N 2 1 251.761 2.047 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC000903850425 635303970 /nfs/dbraw/zinc/30/39/70/635303970.db2.gz QQGOWOFQKDAKMI-KRWDZBQOSA-N 2 1 298.471 2.413 20 0 CEADMP COc1cccc(CCC[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903857396 635308220 /nfs/dbraw/zinc/30/82/20/635308220.db2.gz UVXCMRSCHXDUGF-WBVHZDCISA-N 2 1 274.408 2.441 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903857396 635308223 /nfs/dbraw/zinc/30/82/23/635308223.db2.gz UVXCMRSCHXDUGF-WBVHZDCISA-N 2 1 274.408 2.441 20 0 CEADMP C(C[N@@H+]1CCC[C@@]12CC[NH2+]C2)C1SCCS1 ZINC000903870318 635319316 /nfs/dbraw/zinc/31/93/16/635319316.db2.gz MUXAYMPTJMEGAA-LBPRGKRZSA-N 2 1 258.456 2.011 20 0 CEADMP C(C[N@H+]1CCC[C@@]12CC[NH2+]C2)C1SCCS1 ZINC000903870318 635319324 /nfs/dbraw/zinc/31/93/24/635319324.db2.gz MUXAYMPTJMEGAA-LBPRGKRZSA-N 2 1 258.456 2.011 20 0 CEADMP CO[C@H](C[N@@H+]1CCC[C@@]12CC[NH2+]C2)C1CCCC1 ZINC000903871894 635320005 /nfs/dbraw/zinc/32/00/05/635320005.db2.gz WTNBSTGYZTXWMD-CABCVRRESA-N 2 1 252.402 2.020 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@]12CC[NH2+]C2)C1CCCC1 ZINC000903871894 635320010 /nfs/dbraw/zinc/32/00/10/635320010.db2.gz WTNBSTGYZTXWMD-CABCVRRESA-N 2 1 252.402 2.020 20 0 CEADMP C[C@]1(C2CC2)COCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903883066 635326082 /nfs/dbraw/zinc/32/60/82/635326082.db2.gz UEOLAKHECJPNMM-GOSISDBHSA-N 2 1 286.419 2.333 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](CC(C)C)C2)cnn1C ZINC000903893098 635329121 /nfs/dbraw/zinc/32/91/21/635329121.db2.gz QGWIUXNDHNGVIL-JKSUJKDBSA-N 2 1 292.471 2.214 20 0 CEADMP [NH3+][C@@H](CC(F)F)C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000903893216 635329205 /nfs/dbraw/zinc/32/92/05/635329205.db2.gz SMYOXZZAOOGHES-DZGCQCFKSA-N 2 1 298.377 2.341 20 0 CEADMP [NH3+][C@@H](CC(F)F)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000903893216 635329207 /nfs/dbraw/zinc/32/92/07/635329207.db2.gz SMYOXZZAOOGHES-DZGCQCFKSA-N 2 1 298.377 2.341 20 0 CEADMP COC1CCC([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903893686 635330943 /nfs/dbraw/zinc/33/09/43/635330943.db2.gz YMDVMIXVVNNWAH-KDJGIRDZSA-N 2 1 266.429 2.406 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000903895664 635332679 /nfs/dbraw/zinc/33/26/79/635332679.db2.gz PQACMRLPPWJYBS-UCHQMPSGSA-N 3 1 279.472 2.179 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000903895664 635332686 /nfs/dbraw/zinc/33/26/86/635332686.db2.gz PQACMRLPPWJYBS-UCHQMPSGSA-N 3 1 279.472 2.179 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000903895664 635332692 /nfs/dbraw/zinc/33/26/92/635332692.db2.gz PQACMRLPPWJYBS-UCHQMPSGSA-N 3 1 279.472 2.179 20 0 CEADMP CCN1CC[C@@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000903895664 635332697 /nfs/dbraw/zinc/33/26/97/635332697.db2.gz PQACMRLPPWJYBS-UCHQMPSGSA-N 2 1 279.472 2.179 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000903895664 635332703 /nfs/dbraw/zinc/33/27/03/635332703.db2.gz PQACMRLPPWJYBS-UCHQMPSGSA-N 2 1 279.472 2.179 20 0 CEADMP [NH3+][C@H](CC(F)F)C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000903905693 635340338 /nfs/dbraw/zinc/34/03/38/635340338.db2.gz LRYQSUNXMARROF-HUUCEWRRSA-N 2 1 298.377 2.242 20 0 CEADMP [NH3+][C@H](CC(F)F)C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000903905693 635340340 /nfs/dbraw/zinc/34/03/40/635340340.db2.gz LRYQSUNXMARROF-HUUCEWRRSA-N 2 1 298.377 2.242 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000903915526 635340461 /nfs/dbraw/zinc/34/04/61/635340461.db2.gz OSBMGKJXXWNGCA-UONOGXRCSA-N 2 1 291.443 2.071 20 0 CEADMP CC[C@@]1(CO)CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903908552 635342846 /nfs/dbraw/zinc/34/28/46/635342846.db2.gz KVZLFAPOOPPSBH-KRWDZBQOSA-N 2 1 274.408 2.069 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000903909399 635343543 /nfs/dbraw/zinc/34/35/43/635343543.db2.gz UMQJKHBDGFKAAG-KBPBESRZSA-N 2 1 291.443 2.071 20 0 CEADMP CCC[C@@H]1CCCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903908486 635343670 /nfs/dbraw/zinc/34/36/70/635343670.db2.gz JWNJNPYZYOEMTQ-HUUCEWRRSA-N 2 1 291.443 2.357 20 0 CEADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C2CC2)O1 ZINC000903909566 635344968 /nfs/dbraw/zinc/34/49/68/635344968.db2.gz FQTMPQXCKASKSO-UJHCDMDASA-N 2 1 264.413 2.016 20 0 CEADMP CC[C@@]1(CO)CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903913289 635347636 /nfs/dbraw/zinc/34/76/36/635347636.db2.gz CGPKSWOKRVYBPL-GOSISDBHSA-N 2 1 288.435 2.317 20 0 CEADMP C[N@@H+](CCNCc1cccc2c1CC[NH2+]C2)C1CCCC1 ZINC000903923046 635350982 /nfs/dbraw/zinc/35/09/82/635350982.db2.gz KESCDCNACYJUIH-UHFFFAOYSA-N 2 1 287.451 2.296 20 0 CEADMP CN(CC[NH2+]Cc1cccc2c1CC[NH2+]C2)C1CCCC1 ZINC000903923046 635350984 /nfs/dbraw/zinc/35/09/84/635350984.db2.gz KESCDCNACYJUIH-UHFFFAOYSA-N 2 1 287.451 2.296 20 0 CEADMP c1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c2c(c1)C[NH2+]CC2 ZINC000903930289 635356534 /nfs/dbraw/zinc/35/65/34/635356534.db2.gz WLJVUUVSBFMQJH-KBPBESRZSA-N 2 1 260.406 2.022 20 0 CEADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]CC1=Cc2ccccc2OC1 ZINC000903957938 635368031 /nfs/dbraw/zinc/36/80/31/635368031.db2.gz UQUGOQYTDFSOGB-CQSZACIVSA-N 2 1 294.345 2.297 20 0 CEADMP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903954224 635388188 /nfs/dbraw/zinc/38/81/88/635388188.db2.gz ARCZWVIRSHEYED-ZDUSSCGKSA-N 2 1 254.324 2.329 20 0 CEADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)C(C)(C)C ZINC000903970357 635390842 /nfs/dbraw/zinc/39/08/42/635390842.db2.gz VWZSRDSZXRRVHP-ZIAGYGMSSA-N 2 1 268.445 2.417 20 0 CEADMP C[C@H](Cc1ccsc1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973134 635391506 /nfs/dbraw/zinc/39/15/06/635391506.db2.gz OXIHNOBXRXFIGL-UKRRQHHQSA-N 2 1 294.464 2.427 20 0 CEADMP CCCC[C@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974004 635392050 /nfs/dbraw/zinc/39/20/50/635392050.db2.gz SBRLSAPOEWFNRP-UONOGXRCSA-N 2 1 254.418 2.313 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000903963894 635398126 /nfs/dbraw/zinc/39/81/26/635398126.db2.gz IVOLOXAACMMSLH-JOCBIADPSA-N 2 1 287.451 2.237 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)C1 ZINC000904315883 635552559 /nfs/dbraw/zinc/55/25/59/635552559.db2.gz GCKLCPWJBKPCPW-ORQFMDKSSA-N 2 1 274.408 2.312 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904299586 635552876 /nfs/dbraw/zinc/55/28/76/635552876.db2.gz ISSMJUFXTAEOKX-CQSZACIVSA-N 2 1 260.381 2.182 20 0 CEADMP CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303791 635555448 /nfs/dbraw/zinc/55/54/48/635555448.db2.gz HLZULSYAIDPBAI-OKILXGFUSA-N 2 1 278.396 2.263 20 0 CEADMP COCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](C)c1ccccc1 ZINC000904309172 635558646 /nfs/dbraw/zinc/55/86/46/635558646.db2.gz BNPHVAYTIOCCGJ-FMKPAKJESA-N 2 1 262.397 2.433 20 0 CEADMP Cc1ccccc1OCCC[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312373 635560348 /nfs/dbraw/zinc/56/03/48/635560348.db2.gz IUVGRXZNMQPKSG-GASCZTMLSA-N 2 1 262.397 2.433 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314403 635561502 /nfs/dbraw/zinc/56/15/02/635561502.db2.gz WDQHJPXJDDVJDT-LUKYLMHMSA-N 3 1 279.472 2.310 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314403 635561508 /nfs/dbraw/zinc/56/15/08/635561508.db2.gz WDQHJPXJDDVJDT-LUKYLMHMSA-N 3 1 279.472 2.310 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314403 635561512 /nfs/dbraw/zinc/56/15/12/635561512.db2.gz WDQHJPXJDDVJDT-LUKYLMHMSA-N 3 1 279.472 2.310 20 0 CEADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314403 635561514 /nfs/dbraw/zinc/56/15/14/635561514.db2.gz WDQHJPXJDDVJDT-LUKYLMHMSA-N 2 1 279.472 2.310 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314403 635561515 /nfs/dbraw/zinc/56/15/15/635561515.db2.gz WDQHJPXJDDVJDT-LUKYLMHMSA-N 2 1 279.472 2.310 20 0 CEADMP Cc1ccccc1[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)CO1 ZINC000904324423 635570269 /nfs/dbraw/zinc/57/02/69/635570269.db2.gz XQOGQKCHNSFXJH-AIANPOQGSA-N 2 1 274.408 2.494 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)C1 ZINC000904324910 635570334 /nfs/dbraw/zinc/57/03/34/635570334.db2.gz MLRJHNLXHCNDHZ-UWWQBHOKSA-N 2 1 288.435 2.486 20 0 CEADMP CCOC[C@@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904326464 635572380 /nfs/dbraw/zinc/57/23/80/635572380.db2.gz KEIOIJLPCFKUET-ZIAGYGMSSA-N 2 1 256.434 2.498 20 0 CEADMP CCOC[C@@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904326464 635572382 /nfs/dbraw/zinc/57/23/82/635572382.db2.gz KEIOIJLPCFKUET-ZIAGYGMSSA-N 2 1 256.434 2.498 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)C1 ZINC000904328303 635573702 /nfs/dbraw/zinc/57/37/02/635573702.db2.gz NEABUHNSCQEAGU-NKKGCODLSA-N 2 1 292.398 2.451 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC000904329395 635574763 /nfs/dbraw/zinc/57/47/63/635574763.db2.gz YIQHWTITGADHGA-XJFOESAGSA-N 2 1 252.402 2.003 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CN1Cc1ccccc1 ZINC000904341836 635580661 /nfs/dbraw/zinc/58/06/61/635580661.db2.gz WYVJGLJVBFEFEQ-UOVPBQLFSA-N 2 1 287.451 2.319 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904347149 635583094 /nfs/dbraw/zinc/58/30/94/635583094.db2.gz CYABBEFCHHIKPO-DLBZAZTESA-N 2 1 296.455 2.287 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000904354441 635587073 /nfs/dbraw/zinc/58/70/73/635587073.db2.gz YHNNHAXUFDGMPB-MRXNPFEDSA-N 3 1 277.456 2.431 20 0 CEADMP C[C@H](CO)C1CC[NH+](C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904375636 635600282 /nfs/dbraw/zinc/60/02/82/635600282.db2.gz CXJOLQCBDMUPLN-UKRRQHHQSA-N 2 1 270.461 2.480 20 0 CEADMP C[C@@H](CO)C1CC[NH+](C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904375634 635600395 /nfs/dbraw/zinc/60/03/95/635600395.db2.gz CXJOLQCBDMUPLN-DZGCQCFKSA-N 2 1 270.461 2.480 20 0 CEADMP COc1ccc2c(c1)CC[N@@H+](C[C@]1(C)CCC[NH2+]C1)C2 ZINC000904379978 635604626 /nfs/dbraw/zinc/60/46/26/635604626.db2.gz YTOOOAVKOGPEDY-QGZVFWFLSA-N 2 1 274.408 2.443 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@]1(C)CCC[NH2+]C1)C2 ZINC000904379978 635604631 /nfs/dbraw/zinc/60/46/31/635604631.db2.gz YTOOOAVKOGPEDY-QGZVFWFLSA-N 2 1 274.408 2.443 20 0 CEADMP CC(C)c1cnc(C[N@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000904404608 635610961 /nfs/dbraw/zinc/61/09/61/635610961.db2.gz AITCQGHDTGZRBO-NSHDSACASA-N 2 1 253.415 2.437 20 0 CEADMP COc1ccc2nc(C[N@H+]3CC[C@H](CC[NH3+])C3)sc2c1 ZINC000904404752 635611316 /nfs/dbraw/zinc/61/13/16/635611316.db2.gz FLDCOJXQPMOCKH-NSHDSACASA-N 2 1 291.420 2.476 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)CC[C@@H]1C[NH3+] ZINC000904410057 635614704 /nfs/dbraw/zinc/61/47/04/635614704.db2.gz CEEJGCXJQMHMMW-BZPMIXESSA-N 2 1 295.452 2.411 20 0 CEADMP C[C@H]1C[N@@H+](Cc2scnc2C2CC2)CC[C@@H]1C[NH3+] ZINC000904409813 635615209 /nfs/dbraw/zinc/61/52/09/635615209.db2.gz JAXUUYKYHAYVBP-CMPLNLGQSA-N 2 1 265.426 2.437 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccnn2-c2ccccc2)CC[C@H]1C[NH3+] ZINC000904410979 635619583 /nfs/dbraw/zinc/61/95/83/635619583.db2.gz RZZCQBQSVPGNHJ-GJZGRUSLSA-N 2 1 284.407 2.289 20 0 CEADMP COc1ccc2oc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2c1 ZINC000904420308 635631426 /nfs/dbraw/zinc/63/14/26/635631426.db2.gz KBPDLLXUFHVYFM-GXTWGEPZSA-N 2 1 286.375 2.483 20 0 CEADMP Fc1ccc(/C=C/C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420321 635631584 /nfs/dbraw/zinc/63/15/84/635631584.db2.gz KMJUTHJMTQFSTQ-VAMSJOSJSA-N 2 1 260.356 2.380 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000904443374 635639255 /nfs/dbraw/zinc/63/92/55/635639255.db2.gz HMLVENWMJJZMAL-AWEZNQCLSA-N 2 1 255.450 2.057 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000904449049 635640563 /nfs/dbraw/zinc/64/05/63/635640563.db2.gz DZBLBEMDUPGYDW-UHFFFAOYSA-N 2 1 253.349 2.330 20 0 CEADMP COc1ccc(C[NH2+]CC2([NH3+])CC2)cc1OCC(C)C ZINC000904449769 635640578 /nfs/dbraw/zinc/64/05/78/635640578.db2.gz MMQUYVKQHIXCSH-UHFFFAOYSA-N 2 1 278.396 2.311 20 0 CEADMP C[N@H+]1C[C@@H]2CN(C[C@H]([NH3+])CCC(C)(C)C)C[C@]2(C)C1 ZINC000904468912 635647432 /nfs/dbraw/zinc/64/74/32/635647432.db2.gz GSOHYBPUOWXKRY-FMKPAKJESA-N 2 1 267.461 2.024 20 0 CEADMP CC[C@@](O)(C[NH2+]CCCCn1cc[nH+]c1C)C(F)(F)F ZINC000905131138 635837428 /nfs/dbraw/zinc/83/74/28/635837428.db2.gz CLYPTPXBKIPHQE-GFCCVEGCSA-N 2 1 293.333 2.265 20 0 CEADMP CC[C@@](O)(C[NH2+]C[C@@H]1CC[N@@H+](CC(C)C)C1)C(F)(F)F ZINC000905161181 635862839 /nfs/dbraw/zinc/86/28/39/635862839.db2.gz UYRPBMGPRNWWNR-QWHCGFSZSA-N 2 1 296.377 2.257 20 0 CEADMP CC[C@@](O)(C[NH2+]C1CC[NH+](C2CCC2)CC1)C(F)(F)F ZINC000905282248 636208035 /nfs/dbraw/zinc/20/80/35/636208035.db2.gz XPHMBDMKJRPFBX-CYBMUJFWSA-N 2 1 294.361 2.296 20 0 CEADMP [NH3+]C1(c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)CC1 ZINC000905319730 636218031 /nfs/dbraw/zinc/21/80/31/636218031.db2.gz NOTKEIBCLGAUFI-UHFFFAOYSA-N 2 1 284.363 2.280 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@](O)(CC)C(F)(F)F)C[C@H]1C ZINC000905936903 636533699 /nfs/dbraw/zinc/53/36/99/636533699.db2.gz ZGJFACFZNVFZNQ-FRRDWIJNSA-N 2 1 296.377 2.494 20 0 CEADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906507538 636757292 /nfs/dbraw/zinc/75/72/92/636757292.db2.gz AAQOWDQFVHZMON-HDJSIYSDSA-N 2 1 270.380 2.068 20 0 CEADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1CC([NH3+])C1 ZINC000906509513 636760833 /nfs/dbraw/zinc/76/08/33/636760833.db2.gz GZPJLXGREFLYKW-UHFFFAOYSA-N 2 1 284.407 2.128 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000906508767 636760970 /nfs/dbraw/zinc/76/09/70/636760970.db2.gz ZENCQVSAOJPSAP-JOCQHMNTSA-N 2 1 276.771 2.105 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(CF)cc1)CCO2 ZINC000830646967 637122811 /nfs/dbraw/zinc/12/28/11/637122811.db2.gz DSOJJJCUXNLZJU-UHFFFAOYSA-N 2 1 292.398 2.453 20 0 CEADMP CC(C)C[C@@]1(C)CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000830798310 637164246 /nfs/dbraw/zinc/16/42/46/637164246.db2.gz HFWSZLHJXDKJPM-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)C[C@@]1(C)CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000830798310 637164252 /nfs/dbraw/zinc/16/42/52/637164252.db2.gz HFWSZLHJXDKJPM-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000908306369 637296307 /nfs/dbraw/zinc/29/63/07/637296307.db2.gz NOWJVAWYVPGRCM-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908306369 637296309 /nfs/dbraw/zinc/29/63/09/637296309.db2.gz NOWJVAWYVPGRCM-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908306369 637296312 /nfs/dbraw/zinc/29/63/12/637296312.db2.gz NOWJVAWYVPGRCM-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000832630450 637625339 /nfs/dbraw/zinc/62/53/39/637625339.db2.gz JZMXPBZUBZBDIV-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000832750100 637659178 /nfs/dbraw/zinc/65/91/78/637659178.db2.gz JJFOCLUIIKNHQL-GJZGRUSLSA-N 2 1 283.460 2.084 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000832750630 637659385 /nfs/dbraw/zinc/65/93/85/637659385.db2.gz VYWSDUKUDJDWNH-LSDHHAIUSA-N 2 1 283.460 2.084 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@@H](C)CC)CC2)C1 ZINC000909263054 637664349 /nfs/dbraw/zinc/66/43/49/637664349.db2.gz YGFHLDRCCCYAGL-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000834703578 637923934 /nfs/dbraw/zinc/92/39/34/637923934.db2.gz NOCWZDKNLYOIGN-OAHLLOKOSA-N 2 1 283.460 2.086 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCc2cc(C)nc(C)c2)C1 ZINC000911167629 638252207 /nfs/dbraw/zinc/25/22/07/638252207.db2.gz IDAQSXMBQFBVOL-INIZCTEOSA-N 2 1 289.423 2.437 20 0 CEADMP C[N@@H+]1CC[C@@H](C(=O)Nc2c[nH+]ccc2Nc2ccccc2)C1 ZINC000911738574 638386811 /nfs/dbraw/zinc/38/68/11/638386811.db2.gz DWVALOPFQVWEGM-CYBMUJFWSA-N 2 1 296.374 2.137 20 0 CEADMP C[N@H+]1CC[C@@H](C(=O)Nc2c[nH+]ccc2Nc2ccccc2)C1 ZINC000911738574 638386815 /nfs/dbraw/zinc/38/68/15/638386815.db2.gz DWVALOPFQVWEGM-CYBMUJFWSA-N 2 1 296.374 2.137 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000911856324 638446128 /nfs/dbraw/zinc/44/61/28/638446128.db2.gz PHCKPVJRBIYBPK-XJKSGUPXSA-N 2 1 289.423 2.195 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000912281730 638628974 /nfs/dbraw/zinc/62/89/74/638628974.db2.gz BYQMLGAGIRSWGY-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000912281730 638628977 /nfs/dbraw/zinc/62/89/77/638628977.db2.gz BYQMLGAGIRSWGY-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000912281730 638628978 /nfs/dbraw/zinc/62/89/78/638628978.db2.gz BYQMLGAGIRSWGY-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924851493 639063260 /nfs/dbraw/zinc/06/32/60/639063260.db2.gz FKBSYCKQRZWHSO-LSDHHAIUSA-N 2 1 297.487 2.390 20 0 CEADMP [NH3+][C@@H](CC(F)F)CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323785781 639207540 /nfs/dbraw/zinc/20/75/40/639207540.db2.gz FJXZNGJREPPLOI-HNNXBMFYSA-N 2 1 297.393 2.177 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000226396705 639542600 /nfs/dbraw/zinc/54/26/00/639542600.db2.gz DIUZHWBLUFPMHO-HNNXBMFYSA-N 2 1 284.444 2.035 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC000228474393 639636130 /nfs/dbraw/zinc/63/61/30/639636130.db2.gz TVFHNCYFTLKEEP-JHJVBQTASA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC000228474393 639636131 /nfs/dbraw/zinc/63/61/31/639636131.db2.gz TVFHNCYFTLKEEP-JHJVBQTASA-N 2 1 265.788 2.294 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)CC[C@@H]1C[NH3+] ZINC000229331746 639693151 /nfs/dbraw/zinc/69/31/51/639693151.db2.gz UNHYJWJMYKQJPC-KFWWJZLASA-N 2 1 266.429 2.395 20 0 CEADMP C[C@@H](C[NH2+]C[C@@H](O)c1c(F)cccc1F)C[NH+]1CCCC1 ZINC000062071666 639735712 /nfs/dbraw/zinc/73/57/12/639735712.db2.gz BIYWAGJORUUMTF-SWLSCSKDSA-N 2 1 298.377 2.320 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)CCO1 ZINC000843051120 640254826 /nfs/dbraw/zinc/25/48/26/640254826.db2.gz ALBJEDMMQOFDPL-KBUPBQIOSA-N 2 1 254.418 2.251 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc2c[nH]nc2c1 ZINC000843054409 640257838 /nfs/dbraw/zinc/25/78/38/640257838.db2.gz XOENXBOTLMGMAV-GOOCMWNKSA-N 2 1 270.380 2.407 20 0 CEADMP Cc1nn2c(C[N@H+](C)C3CCC([NH3+])CC3)c(C)nc2s1 ZINC000843055734 640259041 /nfs/dbraw/zinc/25/90/41/640259041.db2.gz MHZMLQIPBQNGBD-UHFFFAOYSA-N 2 1 293.440 2.109 20 0 CEADMP C[N@@H+](Cc1cccc2c1OCCO2)C1CCC([NH3+])CC1 ZINC000843056064 640259093 /nfs/dbraw/zinc/25/90/93/640259093.db2.gz WWRDAWNBKFAKTM-UHFFFAOYSA-N 2 1 276.380 2.160 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000843351357 640399507 /nfs/dbraw/zinc/39/95/07/640399507.db2.gz PPGFMNXCKQWGSR-UHFFFAOYSA-N 2 1 286.375 2.062 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000843351357 640399518 /nfs/dbraw/zinc/39/95/18/640399518.db2.gz PPGFMNXCKQWGSR-UHFFFAOYSA-N 2 1 286.375 2.062 20 0 CEADMP CCCCC[C@@H](C)NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364025 640405695 /nfs/dbraw/zinc/40/56/95/640405695.db2.gz LGIDVDUOPWVREO-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001015597580 640505113 /nfs/dbraw/zinc/50/51/13/640505113.db2.gz VKUQWGHMHCVGMR-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001015597580 640505114 /nfs/dbraw/zinc/50/51/14/640505114.db2.gz VKUQWGHMHCVGMR-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597580 640505117 /nfs/dbraw/zinc/50/51/17/640505117.db2.gz VKUQWGHMHCVGMR-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(O)c(F)c2)CC1 ZINC000153481856 640515385 /nfs/dbraw/zinc/51/53/85/640515385.db2.gz PKXJNDXDPFJRCR-UHFFFAOYSA-N 2 1 266.360 2.494 20 0 CEADMP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CCC1(C)C ZINC000877207086 650627384 /nfs/dbraw/zinc/62/73/84/650627384.db2.gz YRKCZYSUNBEOJO-HNNXBMFYSA-N 2 1 295.471 2.227 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C[C@@H]([NH3+])C1 ZINC000925475501 641103536 /nfs/dbraw/zinc/10/35/36/641103536.db2.gz UOVCFVQIFRUVMI-ZBFHGGJFSA-N 3 1 279.472 2.356 20 0 CEADMP Cc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c(C)c1 ZINC000925477671 641115024 /nfs/dbraw/zinc/11/50/24/641115024.db2.gz GCDYMOJBTJNZPV-SMLCLMEVSA-N 2 1 256.393 2.389 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925479661 641141481 /nfs/dbraw/zinc/14/14/81/641141481.db2.gz COMQXDIEPVBNFF-GOEBONIOSA-N 2 1 263.429 2.396 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000846217766 641226218 /nfs/dbraw/zinc/22/62/18/641226218.db2.gz AFJOZSWWVCVFBX-ZDUSSCGKSA-N 2 1 250.390 2.108 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000846217766 641226223 /nfs/dbraw/zinc/22/62/23/641226223.db2.gz AFJOZSWWVCVFBX-ZDUSSCGKSA-N 2 1 250.390 2.108 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000846217766 641226231 /nfs/dbraw/zinc/22/62/31/641226231.db2.gz AFJOZSWWVCVFBX-ZDUSSCGKSA-N 2 1 250.390 2.108 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000921471091 641289069 /nfs/dbraw/zinc/28/90/69/641289069.db2.gz UQTSUESBNQMEKC-UHFFFAOYSA-N 2 1 278.444 2.361 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(CC[NH3+])CC1 ZINC000846694778 641398368 /nfs/dbraw/zinc/39/83/68/641398368.db2.gz BYZFZZUXSRIVDG-UHFFFAOYSA-N 2 1 283.460 2.086 20 0 CEADMP CC(C)[NH2+]C1(CO)CC[NH+](CCSC(C)(C)C)CC1 ZINC000846936452 641490291 /nfs/dbraw/zinc/49/02/91/641490291.db2.gz IAAQAEQFBLPVAR-UHFFFAOYSA-N 2 1 288.501 2.343 20 0 CEADMP CCCCC[C@@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149777 641636914 /nfs/dbraw/zinc/63/69/14/641636914.db2.gz HMHKVLRKKSEGIW-HUUCEWRRSA-N 2 1 283.460 2.275 20 0 CEADMP CCCCC[C@@H](C)NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149777 641636920 /nfs/dbraw/zinc/63/69/20/641636920.db2.gz HMHKVLRKKSEGIW-HUUCEWRRSA-N 2 1 283.460 2.275 20 0 CEADMP CC(C)[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000995107221 641687445 /nfs/dbraw/zinc/68/74/45/641687445.db2.gz PNZFWAXVCUGQDT-LSDHHAIUSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H]1C[C@@H]1C(N)=[NH+]OCC[N@H+](C)Cc1ccccc1 ZINC000848518083 642025104 /nfs/dbraw/zinc/02/51/04/642025104.db2.gz GSECKLJMZKUKBY-JSGCOSHPSA-N 2 1 261.369 2.273 20 0 CEADMP C[C@H]1C[C@@H]1C(N)=[NH+]OCC[N@@H+](C)Cc1ccccc1 ZINC000848518083 642025108 /nfs/dbraw/zinc/02/51/08/642025108.db2.gz GSECKLJMZKUKBY-JSGCOSHPSA-N 2 1 261.369 2.273 20 0 CEADMP CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996677597 642127399 /nfs/dbraw/zinc/12/73/99/642127399.db2.gz WANCZGFAHZLQRS-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000996981860 642167490 /nfs/dbraw/zinc/16/74/90/642167490.db2.gz YCXHWNMAMJDEHV-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=[NH2+])N1CCC1 ZINC000848985394 642207307 /nfs/dbraw/zinc/20/73/07/642207307.db2.gz MUOUNZSXRHKXHQ-UHFFFAOYSA-N 2 1 274.412 2.257 20 0 CEADMP C[C@@H](CNC(=[NH2+])Nc1ccccn1)[N@H+]1CCCC[C@H]1C ZINC000848987161 642208982 /nfs/dbraw/zinc/20/89/82/642208982.db2.gz KQMRVOYLQUYQTL-OLZOCXBDSA-N 2 1 275.400 2.281 20 0 CEADMP CC[C@H](CNC(=[NH2+])N1CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000848987236 642209406 /nfs/dbraw/zinc/20/94/06/642209406.db2.gz UGHWVPYBSDZCHZ-MRXNPFEDSA-N 2 1 286.423 2.053 20 0 CEADMP CC[C@H](CNC(=[NH2+])N1CCC1)[N@H+]1CCc2ccccc2C1 ZINC000848987236 642209408 /nfs/dbraw/zinc/20/94/08/642209408.db2.gz UGHWVPYBSDZCHZ-MRXNPFEDSA-N 2 1 286.423 2.053 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000848997631 642216731 /nfs/dbraw/zinc/21/67/31/642216731.db2.gz VQEOZUGHAJANEJ-ZDUSSCGKSA-N 2 1 294.468 2.136 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921547008 642228352 /nfs/dbraw/zinc/22/83/52/642228352.db2.gz KHJZQVGGRVOJDY-CYBMUJFWSA-N 2 1 262.401 2.040 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921547008 642228360 /nfs/dbraw/zinc/22/83/60/642228360.db2.gz KHJZQVGGRVOJDY-CYBMUJFWSA-N 2 1 262.401 2.040 20 0 CEADMP c1nn(CC2CCC2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000921547258 642228636 /nfs/dbraw/zinc/22/86/36/642228636.db2.gz JGUKMNCMPZMLJO-DLBZAZTESA-N 2 1 288.439 2.400 20 0 CEADMP c1nn(CC2CCC2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000921547258 642228639 /nfs/dbraw/zinc/22/86/39/642228639.db2.gz JGUKMNCMPZMLJO-DLBZAZTESA-N 2 1 288.439 2.400 20 0 CEADMP CC1(C)CCC[N@@H+](CCNC(=[NH2+])Nc2ccccn2)C1 ZINC000849022865 642236492 /nfs/dbraw/zinc/23/64/92/642236492.db2.gz GVWUYLCNKAXFGB-UHFFFAOYSA-N 2 1 275.400 2.140 20 0 CEADMP CCCCNC(=[NH2+])NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000849046185 642255716 /nfs/dbraw/zinc/25/57/16/642255716.db2.gz OAXIEMSYHWYUPL-CVEARBPZSA-N 2 1 288.439 2.246 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000921625151 642285897 /nfs/dbraw/zinc/28/58/97/642285897.db2.gz RIPGSSOERFBWGO-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000921625151 642285905 /nfs/dbraw/zinc/28/59/05/642285905.db2.gz RIPGSSOERFBWGO-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](C(C)C)CC1 ZINC000997947758 642345933 /nfs/dbraw/zinc/34/59/33/642345933.db2.gz FBAWTBPVXHXLMO-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](C(C)C)CC1 ZINC000997947758 642345937 /nfs/dbraw/zinc/34/59/37/642345937.db2.gz FBAWTBPVXHXLMO-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](CC)CC1 ZINC000998105637 642367091 /nfs/dbraw/zinc/36/70/91/642367091.db2.gz ZVKHISJBFYTWNK-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](CC)CC1 ZINC000998105637 642367096 /nfs/dbraw/zinc/36/70/96/642367096.db2.gz ZVKHISJBFYTWNK-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](CC)CC1 ZINC000998105637 642367101 /nfs/dbraw/zinc/36/71/01/642367101.db2.gz ZVKHISJBFYTWNK-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCOC(=O)N1CCC(C)(C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000877523054 650764554 /nfs/dbraw/zinc/76/45/54/650764554.db2.gz VUCWPBXRYLJKEJ-UHFFFAOYSA-N 2 1 299.459 2.129 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cc2c(cc[nH]c2=O)o1 ZINC000877532610 650771727 /nfs/dbraw/zinc/77/17/27/650771727.db2.gz VRYJVGJYKFXLNN-FZMZJTMJSA-N 2 1 289.379 2.305 20 0 CEADMP CC(C)[N@@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001000949893 642666375 /nfs/dbraw/zinc/66/63/75/642666375.db2.gz HMJWMIISYJJNKR-UHFFFAOYSA-N 2 1 298.390 2.105 20 0 CEADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccoc3)cc2)C1 ZINC000850357456 642681054 /nfs/dbraw/zinc/68/10/54/642681054.db2.gz KDZDBWDMQLEZRH-KRWDZBQOSA-N 2 1 286.375 2.136 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2SCCS2)[C@H]2CCC[C@@H]21 ZINC000850561619 642753617 /nfs/dbraw/zinc/75/36/17/642753617.db2.gz POPJSGWLPWYNSW-WOPDTQHZSA-N 2 1 272.483 2.255 20 0 CEADMP Cc1nn(C)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1Cl ZINC000922180838 642939128 /nfs/dbraw/zinc/93/91/28/642939128.db2.gz HUGJNAIOASYLLQ-GFCCVEGCSA-N 2 1 284.835 2.203 20 0 CEADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccoc3)C2)[C@H]1C(C)C ZINC000922394284 643059364 /nfs/dbraw/zinc/05/93/64/643059364.db2.gz PQFICUJCJFGAAX-VQHPVUNQSA-N 2 1 292.423 2.239 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccn2)CC1 ZINC000851751270 643146434 /nfs/dbraw/zinc/14/64/34/643146434.db2.gz PXFDLNHAXBDRPM-QGZVFWFLSA-N 2 1 291.439 2.167 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851791134 643163400 /nfs/dbraw/zinc/16/34/00/643163400.db2.gz UHEDLHBVDZWJCH-HUUCEWRRSA-N 2 1 284.444 2.192 20 0 CEADMP CCO[C@H](CNCc1ccnc2ccccc12)C[NH+](C)C ZINC000922755783 643247175 /nfs/dbraw/zinc/24/71/75/643247175.db2.gz ALHOVDCIZYQTNL-OAHLLOKOSA-N 2 1 287.407 2.291 20 0 CEADMP CCO[C@H](C[NH2+]Cc1cccc2cnccc21)C[NH+](C)C ZINC000922757210 643247884 /nfs/dbraw/zinc/24/78/84/643247884.db2.gz CQYSQOVXWHABKL-MRXNPFEDSA-N 2 1 287.407 2.291 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H]1CCc2ccccc2C1)C[NH+](C)C ZINC000922762126 643249880 /nfs/dbraw/zinc/24/98/80/643249880.db2.gz UHKXOUJQBGCVTF-SJORKVTESA-N 2 1 276.424 2.100 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000110371142 643285643 /nfs/dbraw/zinc/28/56/43/643285643.db2.gz GMIMGAUTYUCYLT-INIZCTEOSA-N 2 1 267.461 2.456 20 0 CEADMP [NH3+]CCCCCCCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000110371142 643285646 /nfs/dbraw/zinc/28/56/46/643285646.db2.gz GMIMGAUTYUCYLT-INIZCTEOSA-N 2 1 267.461 2.456 20 0 CEADMP CC(C)[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004874282 643360315 /nfs/dbraw/zinc/36/03/15/643360315.db2.gz CFFHIXOGJAOXPP-HOCLYGCPSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC001005475567 643409106 /nfs/dbraw/zinc/40/91/06/643409106.db2.gz JQZMZBRZZPIGEL-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP COCC[N@H+](Cc1occc1C)CC1CC[NH+](C)CC1 ZINC000877665207 650840936 /nfs/dbraw/zinc/84/09/36/650840936.db2.gz LMZBESCCDNBFSU-UHFFFAOYSA-N 2 1 280.412 2.378 20 0 CEADMP C[NH+](C)C[C@@H]1CN(C[C@@H]2CC=CCC2)C[C@H]1C[NH+](C)C ZINC000877669724 650842540 /nfs/dbraw/zinc/84/25/40/650842540.db2.gz WPLIKANFHSLKHN-BRWVUGGUSA-N 2 1 279.472 2.014 20 0 CEADMP OC[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000923008599 643510630 /nfs/dbraw/zinc/51/06/30/643510630.db2.gz QWJUHOCLXRCCQS-JCNLHEQBSA-N 2 1 274.408 2.012 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000852744083 643528709 /nfs/dbraw/zinc/52/87/09/643528709.db2.gz REVHVXGPIDAZHF-GFCCVEGCSA-N 2 1 298.333 2.221 20 0 CEADMP [NH3+]CCC[N@@H+](CCOC(F)F)Cc1ccccc1 ZINC000852748262 643533751 /nfs/dbraw/zinc/53/37/51/643533751.db2.gz OXIZSYFZSMPHQE-UHFFFAOYSA-N 2 1 258.312 2.077 20 0 CEADMP C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCCCCC[NH3+] ZINC000852759275 643541057 /nfs/dbraw/zinc/54/10/57/643541057.db2.gz MWFLMJOWCXCPOI-GHMZBOCLSA-N 2 1 268.323 2.157 20 0 CEADMP C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCCCCC[NH3+] ZINC000852759275 643541059 /nfs/dbraw/zinc/54/10/59/643541059.db2.gz MWFLMJOWCXCPOI-GHMZBOCLSA-N 2 1 268.323 2.157 20 0 CEADMP C[N@@H+](CCCNC[C@@H](O)c1ccccn1)C1CCCCC1 ZINC000853062624 643641857 /nfs/dbraw/zinc/64/18/57/643641857.db2.gz REEVKEJCHMATPM-QGZVFWFLSA-N 2 1 291.439 2.359 20 0 CEADMP C[N@H+](CCC[NH2+]C[C@@H](O)c1ccccn1)C1CCCCC1 ZINC000853062624 643641862 /nfs/dbraw/zinc/64/18/62/643641862.db2.gz REEVKEJCHMATPM-QGZVFWFLSA-N 2 1 291.439 2.359 20 0 CEADMP C[N@@H+](CCC[NH2+]C[C@@H](O)c1ccccn1)C1CCCCC1 ZINC000853062624 643641867 /nfs/dbraw/zinc/64/18/67/643641867.db2.gz REEVKEJCHMATPM-QGZVFWFLSA-N 2 1 291.439 2.359 20 0 CEADMP C[C@H](c1ccccc1F)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303555 643650247 /nfs/dbraw/zinc/65/02/47/643650247.db2.gz GXJSBXSFZPGYDP-CHWSQXEVSA-N 2 1 278.371 2.197 20 0 CEADMP C[C@@H](c1ccccc1F)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303557 643650829 /nfs/dbraw/zinc/65/08/29/643650829.db2.gz GXJSBXSFZPGYDP-QWHCGFSZSA-N 2 1 278.371 2.197 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCC[NH2+]C2CC2)C1(C)C ZINC000923314821 643654275 /nfs/dbraw/zinc/65/42/75/643654275.db2.gz YYSZDPNMICGWHR-ZIAGYGMSSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@@H+](CCC[NH2+]C1CC1)[C@H](CCO)c1ccccc1 ZINC000923316073 643654459 /nfs/dbraw/zinc/65/44/59/643654459.db2.gz QANJUGWDDPOMAQ-MRXNPFEDSA-N 2 1 262.397 2.184 20 0 CEADMP OCC[N@@H+](CCC[NH2+]C1CC1)[C@H]1CCc2ccccc21 ZINC000923315908 643655065 /nfs/dbraw/zinc/65/50/65/643655065.db2.gz NTQUCVPXPYNWCS-KRWDZBQOSA-N 2 1 274.408 2.110 20 0 CEADMP C(C[NH2+]C1CC1)C[N@H+]1CCCC2(CCOCC2)C1 ZINC000923315888 643655194 /nfs/dbraw/zinc/65/51/94/643655194.db2.gz MCNMVDAVXTXRSK-UHFFFAOYSA-N 2 1 252.402 2.021 20 0 CEADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923310671 643658440 /nfs/dbraw/zinc/65/84/40/643658440.db2.gz WMFFKKOZTMBYOD-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP Cn1cc([C@@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cn1 ZINC000923324413 643663267 /nfs/dbraw/zinc/66/32/67/643663267.db2.gz HBHMWPCRPDYLOT-MDKVJWTPSA-N 2 1 288.439 2.130 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3cccc(F)c3)C[C@@H]21 ZINC000923331286 643663302 /nfs/dbraw/zinc/66/33/02/643663302.db2.gz FQSQLGWXQBLZLO-VNQPRFMTSA-N 2 1 262.372 2.427 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000923333121 643665972 /nfs/dbraw/zinc/66/59/72/643665972.db2.gz UGAQYKAVKUWBSM-RBZYPMLTSA-N 2 1 286.778 2.182 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000923333121 643665975 /nfs/dbraw/zinc/66/59/75/643665975.db2.gz UGAQYKAVKUWBSM-RBZYPMLTSA-N 2 1 286.778 2.182 20 0 CEADMP CC[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000923334994 643667312 /nfs/dbraw/zinc/66/73/12/643667312.db2.gz HSKHSLTWZQUPMQ-BBRMVZONSA-N 2 1 298.377 2.462 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H](O)CCc3ccccc3)C[C@@H]21 ZINC000923331673 643671687 /nfs/dbraw/zinc/67/16/87/643671687.db2.gz HTTDXJVBNJIRGL-ZJPYXAASSA-N 2 1 288.435 2.039 20 0 CEADMP CCc1ncc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)o1 ZINC000923350015 643673437 /nfs/dbraw/zinc/67/34/37/643673437.db2.gz HRDJRKFOOILXQA-ZBFHGGJFSA-N 2 1 285.391 2.411 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C)cc2)CC[C@@H]1[NH3+] ZINC000923342943 643675177 /nfs/dbraw/zinc/67/51/77/643675177.db2.gz AAQUHJNKWQTHSD-VNQPRFMTSA-N 2 1 262.397 2.088 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923358524 643676819 /nfs/dbraw/zinc/67/68/19/643676819.db2.gz HXHQVIRGDFSDFC-ILXRZTDVSA-N 2 1 254.418 2.002 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)sn1 ZINC000923357959 643676942 /nfs/dbraw/zinc/67/69/42/643676942.db2.gz BVCJAZUECQREDG-OLZOCXBDSA-N 2 1 295.452 2.363 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000923358670 643677261 /nfs/dbraw/zinc/67/72/61/643677261.db2.gz KBKWCVCXCGADJH-UONOGXRCSA-N 2 1 277.412 2.449 20 0 CEADMP [NH3+]CCC[N@@H+](C[C@H](O)CC(F)(F)F)CC1CCCC1 ZINC000923353918 643678530 /nfs/dbraw/zinc/67/85/30/643678530.db2.gz NYCGIPHGHHVAEW-GFCCVEGCSA-N 2 1 282.350 2.141 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923363149 643684090 /nfs/dbraw/zinc/68/40/90/643684090.db2.gz VMHGSPNEEGAZST-XHSDSOJGSA-N 2 1 268.445 2.105 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)Cc2ccccc2)[C@H]1CC[NH3+] ZINC000923386894 643692249 /nfs/dbraw/zinc/69/22/49/643692249.db2.gz KWOINICHUANLON-PVAVHDDUSA-N 2 1 276.424 2.039 20 0 CEADMP [NH3+]CC[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000923487188 643730169 /nfs/dbraw/zinc/73/01/69/643730169.db2.gz AODXXTMZIRPHLP-JTQLQIEISA-N 2 1 299.777 2.088 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000923487188 643730171 /nfs/dbraw/zinc/73/01/71/643730171.db2.gz AODXXTMZIRPHLP-JTQLQIEISA-N 2 1 299.777 2.088 20 0 CEADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923485296 643732820 /nfs/dbraw/zinc/73/28/20/643732820.db2.gz HBHGELQGBSFPSO-STQMWFEESA-N 2 1 293.386 2.132 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923485936 643733209 /nfs/dbraw/zinc/73/32/09/643733209.db2.gz ZIUZQVBSJGEERF-KBPBESRZSA-N 2 1 289.423 2.247 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)s1 ZINC000923496511 643734224 /nfs/dbraw/zinc/73/42/24/643734224.db2.gz AHIFNRHBDKAHRH-JOYOIKCWSA-N 2 1 253.415 2.177 20 0 CEADMP Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000923494167 643738752 /nfs/dbraw/zinc/73/87/52/643738752.db2.gz WETXEEGMAOOVHD-OAHLLOKOSA-N 2 1 289.423 2.221 20 0 CEADMP CCc1nc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cs1 ZINC000923500221 643741385 /nfs/dbraw/zinc/74/13/85/643741385.db2.gz VOXADLCVMHLVSH-GHMZBOCLSA-N 2 1 253.415 2.122 20 0 CEADMP C[C@H]1C[N@H+](CC(=O)Nc2ccccc2Cl)CC[C@@H]1C[NH3+] ZINC000923510360 643746236 /nfs/dbraw/zinc/74/62/36/643746236.db2.gz SOCPGAGCOUOIRN-NWDGAFQWSA-N 2 1 295.814 2.195 20 0 CEADMP C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2Cl)CC[C@@H]1C[NH3+] ZINC000923510360 643746239 /nfs/dbraw/zinc/74/62/39/643746239.db2.gz SOCPGAGCOUOIRN-NWDGAFQWSA-N 2 1 295.814 2.195 20 0 CEADMP CO[C@@H](C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)C1CCCC1 ZINC000923534505 643752307 /nfs/dbraw/zinc/75/23/07/643752307.db2.gz UUZSBAZHFMWRKY-HOTGVXAUSA-N 2 1 266.429 2.410 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)C1CCCC1 ZINC000923534505 643752310 /nfs/dbraw/zinc/75/23/10/643752310.db2.gz UUZSBAZHFMWRKY-HOTGVXAUSA-N 2 1 266.429 2.410 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000111597134 643900597 /nfs/dbraw/zinc/90/05/97/643900597.db2.gz IXMKWNVXEMVYGF-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000838795247 644013845 /nfs/dbraw/zinc/01/38/45/644013845.db2.gz XOBKYQQIMAKPMV-AWEZNQCLSA-N 2 1 284.444 2.239 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000838795247 644013849 /nfs/dbraw/zinc/01/38/49/644013849.db2.gz XOBKYQQIMAKPMV-AWEZNQCLSA-N 2 1 284.444 2.239 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000838795247 644013851 /nfs/dbraw/zinc/01/38/51/644013851.db2.gz XOBKYQQIMAKPMV-AWEZNQCLSA-N 2 1 284.444 2.239 20 0 CEADMP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000854232499 644018972 /nfs/dbraw/zinc/01/89/72/644018972.db2.gz RJDTZIPWENZDIS-BFHYXJOUSA-N 2 1 299.459 2.362 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000838903794 644062369 /nfs/dbraw/zinc/06/23/69/644062369.db2.gz BZCOJZTXCGHRCE-ZIAGYGMSSA-N 2 1 282.428 2.182 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744751 650891663 /nfs/dbraw/zinc/89/16/63/650891663.db2.gz XQAVTAYMWJFUQB-DOTOQJQBSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744751 650891667 /nfs/dbraw/zinc/89/16/67/650891667.db2.gz XQAVTAYMWJFUQB-DOTOQJQBSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1ccccc1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877744751 650891672 /nfs/dbraw/zinc/89/16/72/650891672.db2.gz XQAVTAYMWJFUQB-DOTOQJQBSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1ccccc1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877744751 650891675 /nfs/dbraw/zinc/89/16/75/650891675.db2.gz XQAVTAYMWJFUQB-DOTOQJQBSA-N 2 1 273.424 2.279 20 0 CEADMP C(CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)CC[NH+]1CCCCC1 ZINC000925488971 644368869 /nfs/dbraw/zinc/36/88/69/644368869.db2.gz WQQYOQFGQOHQPL-NNPSNHGLSA-N 2 1 291.483 2.229 20 0 CEADMP CCN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000855491855 644370149 /nfs/dbraw/zinc/37/01/49/644370149.db2.gz UQTQNAZVZKHOBR-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000878511311 651117226 /nfs/dbraw/zinc/11/72/26/651117226.db2.gz IOTZHIYGWRXERA-XUWVNRHRSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925490921 644742945 /nfs/dbraw/zinc/74/29/45/644742945.db2.gz PGVKJLSHQJDNAZ-RRFJBIMHSA-N 2 1 269.477 2.458 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CCC2=O)CC1 ZINC000857234364 644865210 /nfs/dbraw/zinc/86/52/10/644865210.db2.gz JNNJKYRDEWVQAP-HNNXBMFYSA-N 2 1 293.455 2.153 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CCC2=O)CC1 ZINC000857234364 644865215 /nfs/dbraw/zinc/86/52/15/644865215.db2.gz JNNJKYRDEWVQAP-HNNXBMFYSA-N 2 1 293.455 2.153 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CCO)Cc2ccccc2)CC1(C)C ZINC000858161600 645078734 /nfs/dbraw/zinc/07/87/34/645078734.db2.gz BTFBKKFSDNHRAA-IRXDYDNUSA-N 2 1 290.451 2.443 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCCCCCO)CC1 ZINC000759966476 645097748 /nfs/dbraw/zinc/09/77/48/645097748.db2.gz LJRLBUWKEJKCDS-OAHLLOKOSA-N 2 1 256.434 2.345 20 0 CEADMP C[C@H](O)c1ncc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)s1 ZINC000858245393 645097940 /nfs/dbraw/zinc/09/79/40/645097940.db2.gz GKZBCWAMKBWZHT-NWDGAFQWSA-N 2 1 283.441 2.018 20 0 CEADMP C[C@H](O)c1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000858245393 645097941 /nfs/dbraw/zinc/09/79/41/645097941.db2.gz GKZBCWAMKBWZHT-NWDGAFQWSA-N 2 1 283.441 2.018 20 0 CEADMP C[C@H](O)c1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)s1 ZINC000858245394 645098067 /nfs/dbraw/zinc/09/80/67/645098067.db2.gz GKZBCWAMKBWZHT-RYUDHWBXSA-N 2 1 283.441 2.018 20 0 CEADMP C[C@H](O)c1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000858245394 645098069 /nfs/dbraw/zinc/09/80/69/645098069.db2.gz GKZBCWAMKBWZHT-RYUDHWBXSA-N 2 1 283.441 2.018 20 0 CEADMP C[N@@H+](CCNc1cc[nH+]c(CO)c1)Cc1ccc(F)cc1 ZINC000858435567 645158787 /nfs/dbraw/zinc/15/87/87/645158787.db2.gz LZHUOVLBBAJRKW-UHFFFAOYSA-N 2 1 289.354 2.257 20 0 CEADMP C[N@H+]1CC[C@H](Nc2cc[nH+]c(CO)c2)[C@H]1c1ccccc1 ZINC000858459780 645168523 /nfs/dbraw/zinc/16/85/23/645168523.db2.gz KQZKAJVLOLVLGN-DLBZAZTESA-N 2 1 283.375 2.431 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000878104931 650999329 /nfs/dbraw/zinc/99/93/29/650999329.db2.gz RUFQMFBVIJXOFY-ZIAGYGMSSA-N 2 1 254.418 2.075 20 0 CEADMP COC(=O)C1(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859212461 645421543 /nfs/dbraw/zinc/42/15/43/645421543.db2.gz LDTLROUEAWCVED-UHFFFAOYSA-N 2 1 290.407 2.133 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCc2cn[nH]c2)cc1 ZINC000859212398 645422306 /nfs/dbraw/zinc/42/23/06/645422306.db2.gz IUCRNIGVZAQBHQ-UHFFFAOYSA-N 2 1 272.396 2.146 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1([NH+](C)C)CCC1 ZINC000762975983 645486239 /nfs/dbraw/zinc/48/62/39/645486239.db2.gz ZTOWQXDNSQFAGG-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)[C@H](O)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000878156846 651016853 /nfs/dbraw/zinc/01/68/53/651016853.db2.gz QILKTVJDCDAHAD-HZPDHXFCSA-N 2 1 268.445 2.057 20 0 CEADMP CC(C)[C@H](O)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000878156846 651016855 /nfs/dbraw/zinc/01/68/55/651016855.db2.gz QILKTVJDCDAHAD-HZPDHXFCSA-N 2 1 268.445 2.057 20 0 CEADMP CC(C)[C@H](O)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000878156846 651016858 /nfs/dbraw/zinc/01/68/58/651016858.db2.gz QILKTVJDCDAHAD-HZPDHXFCSA-N 2 1 268.445 2.057 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc(F)c3)CC[C@H]21 ZINC000764683034 645674449 /nfs/dbraw/zinc/67/44/49/645674449.db2.gz KOOQVLZEJNCRAC-DJIMGWMZSA-N 2 1 292.398 2.275 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc(F)c3)CC[C@H]21 ZINC000764683034 645674451 /nfs/dbraw/zinc/67/44/51/645674451.db2.gz KOOQVLZEJNCRAC-DJIMGWMZSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3cccc(F)c3)CC[C@H]21 ZINC000764683034 645674453 /nfs/dbraw/zinc/67/44/53/645674453.db2.gz KOOQVLZEJNCRAC-DJIMGWMZSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc(F)c3)CC[C@H]21 ZINC000764683034 645674459 /nfs/dbraw/zinc/67/44/59/645674459.db2.gz KOOQVLZEJNCRAC-DJIMGWMZSA-N 2 1 292.398 2.275 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC4(CCC4)CO3)CC[C@H]21 ZINC000878197857 651034172 /nfs/dbraw/zinc/03/41/72/651034172.db2.gz QYKLLPLLQOXZAS-OWCLPIDISA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CC4(CCC4)CO3)CC[C@H]21 ZINC000878197857 651034173 /nfs/dbraw/zinc/03/41/73/651034173.db2.gz QYKLLPLLQOXZAS-OWCLPIDISA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC4(CCC4)CO3)CC[C@H]21 ZINC000878197857 651034175 /nfs/dbraw/zinc/03/41/75/651034175.db2.gz QYKLLPLLQOXZAS-OWCLPIDISA-N 2 1 278.440 2.362 20 0 CEADMP CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878201250 651035405 /nfs/dbraw/zinc/03/54/05/651035405.db2.gz ZVTPLZSHIGLQIM-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCN2CCc3ccccc32)[C@H](C)C1 ZINC000765415550 645766088 /nfs/dbraw/zinc/76/60/88/645766088.db2.gz FYGJSNLAWYAJGG-NVXWUHKLSA-N 2 1 287.451 2.369 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCNc2ccccc2)[C@@H](C)C1 ZINC000766514120 645897297 /nfs/dbraw/zinc/89/72/97/645897297.db2.gz FWHOSNDTTNHMQV-GOEBONIOSA-N 2 1 261.413 2.418 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000767451167 645993511 /nfs/dbraw/zinc/99/35/11/645993511.db2.gz WYJYZWCUAMPMEA-MRXNPFEDSA-N 2 1 291.370 2.386 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000767451167 645993512 /nfs/dbraw/zinc/99/35/12/645993512.db2.gz WYJYZWCUAMPMEA-MRXNPFEDSA-N 2 1 291.370 2.386 20 0 CEADMP C[C@@H]1CCC[C@@H](C[NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000768595335 646142232 /nfs/dbraw/zinc/14/22/32/646142232.db2.gz OVPYYUXFQDPHRO-IAGOWNOFSA-N 2 1 281.488 2.430 20 0 CEADMP Cc1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccnc1F ZINC000862273558 646388145 /nfs/dbraw/zinc/38/81/45/646388145.db2.gz KOBVIZLEICHGKK-UONOGXRCSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccnc1F ZINC000862273558 646388151 /nfs/dbraw/zinc/38/81/51/646388151.db2.gz KOBVIZLEICHGKK-UONOGXRCSA-N 2 1 263.360 2.246 20 0 CEADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CC(F)(F)C1 ZINC000862279365 646392092 /nfs/dbraw/zinc/39/20/92/646392092.db2.gz QXEISPBAVNXDMS-NSHDSACASA-N 2 1 276.371 2.121 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccnc(F)c2)CC1 ZINC000862335098 646403398 /nfs/dbraw/zinc/40/33/98/646403398.db2.gz XXUHNNOUDALHBR-UHFFFAOYSA-N 2 1 263.360 2.281 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccnc(F)c2)CC1 ZINC000862335098 646403402 /nfs/dbraw/zinc/40/34/02/646403402.db2.gz XXUHNNOUDALHBR-UHFFFAOYSA-N 2 1 263.360 2.281 20 0 CEADMP CCc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)[nH]n1 ZINC000925492777 646404382 /nfs/dbraw/zinc/40/43/82/646404382.db2.gz ZRBDFCHGYPDDBQ-HZPDHXFCSA-N 2 1 276.428 2.230 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccnc(F)c3)C2)CC1 ZINC000862367832 646417485 /nfs/dbraw/zinc/41/74/85/646417485.db2.gz WILXDNAPSVMGSH-HNNXBMFYSA-N 2 1 277.387 2.384 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cnc(C)s2)[C@@H](C)C1 ZINC000773079851 646704251 /nfs/dbraw/zinc/70/42/51/646704251.db2.gz DOCKVXRDOOBJQF-FZMZJTMJSA-N 2 1 267.442 2.314 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCC=CO2)CC1 ZINC000774828360 646900583 /nfs/dbraw/zinc/90/05/83/646900583.db2.gz YFJPDZYPZKLFRX-HNNXBMFYSA-N 2 1 252.402 2.484 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865409793 647279735 /nfs/dbraw/zinc/27/97/35/647279735.db2.gz UVGORRWDESTURM-IUDNXUCKSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@@H]1C[C@H](Nc2cc[nH+]cc2C(F)(F)F)CC[N@H+]1C ZINC000865557939 647359656 /nfs/dbraw/zinc/35/96/56/647359656.db2.gz OCUCNXYCZCITJJ-NXEZZACHSA-N 2 1 273.302 2.417 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)C1 ZINC000866239600 647687735 /nfs/dbraw/zinc/68/77/35/647687735.db2.gz YIWTWWSEDWGEKG-VNQPRFMTSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866250879 647694946 /nfs/dbraw/zinc/69/49/46/647694946.db2.gz JLDUAVRKVYOAGD-CABCVRRESA-N 2 1 263.385 2.129 20 0 CEADMP C(C[C@@H]1CCCS1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000866480945 647799976 /nfs/dbraw/zinc/79/99/76/647799976.db2.gz MTBWYUSZZLRZAJ-CABCVRRESA-N 2 1 284.469 2.115 20 0 CEADMP C(C[N@H+]1CCC[C@@H](OC2CCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000866697377 647872586 /nfs/dbraw/zinc/87/25/86/647872586.db2.gz OAXHXAXQGIIVQR-GDBMZVCRSA-N 2 1 266.429 2.410 20 0 CEADMP C([C@H]1CC[NH2+]C1)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000866702803 647875058 /nfs/dbraw/zinc/87/50/58/647875058.db2.gz AXJFYSIFQPJGQX-LBPRGKRZSA-N 2 1 290.411 2.126 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCc2cccnc2)C1 ZINC000866705791 647876739 /nfs/dbraw/zinc/87/67/39/647876739.db2.gz BGKLEYSBIIAKQW-MRXNPFEDSA-N 2 1 261.413 2.321 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCCCCCO)C1 ZINC000866705266 647876872 /nfs/dbraw/zinc/87/68/72/647876872.db2.gz WOEORROAXZEMSU-HNNXBMFYSA-N 2 1 256.434 2.236 20 0 CEADMP COC(=O)CCCC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866710255 647879122 /nfs/dbraw/zinc/87/91/22/647879122.db2.gz WUIQLXYJIZSFCX-HNNXBMFYSA-N 2 1 270.417 2.027 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000866709649 647879538 /nfs/dbraw/zinc/87/95/38/647879538.db2.gz UCRLZNWWZWTHKO-MRXNPFEDSA-N 2 1 277.412 2.287 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000869236687 648383475 /nfs/dbraw/zinc/38/34/75/648383475.db2.gz GUTYSGABBUHXBO-RRFJBIMHSA-N 2 1 297.487 2.057 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000869236687 648383479 /nfs/dbraw/zinc/38/34/79/648383479.db2.gz GUTYSGABBUHXBO-RRFJBIMHSA-N 2 1 297.487 2.057 20 0 CEADMP Cc1cccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000871785815 649185427 /nfs/dbraw/zinc/18/54/27/649185427.db2.gz XFGWQKQWYBSLKO-LQDVMPOASA-N 2 1 288.395 2.261 20 0 CEADMP Cc1cccc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000871785815 649185429 /nfs/dbraw/zinc/18/54/29/649185429.db2.gz XFGWQKQWYBSLKO-LQDVMPOASA-N 2 1 288.395 2.261 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)[C@@H]2CCC[C@@H]21 ZINC000872105083 649278737 /nfs/dbraw/zinc/27/87/37/649278737.db2.gz AHOHTPPABIKDQQ-AJNGGQMLSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)OC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000872115576 649282293 /nfs/dbraw/zinc/28/22/93/649282293.db2.gz DDZAEPWMEINBTA-UONOGXRCSA-N 2 1 254.418 2.406 20 0 CEADMP O=c1[nH]c2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2o1 ZINC000872123243 649284267 /nfs/dbraw/zinc/28/42/67/649284267.db2.gz NPYHZDQWBLDUKV-CHWSQXEVSA-N 2 1 287.363 2.250 20 0 CEADMP O=c1[nH]c2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2o1 ZINC000872123243 649284270 /nfs/dbraw/zinc/28/42/70/649284270.db2.gz NPYHZDQWBLDUKV-CHWSQXEVSA-N 2 1 287.363 2.250 20 0 CEADMP C([C@@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000872142025 649291557 /nfs/dbraw/zinc/29/15/57/649291557.db2.gz HEOSWKONRRZTTM-KCXAZCMYSA-N 2 1 264.413 2.160 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)C1CCCCC1 ZINC000872144088 649293806 /nfs/dbraw/zinc/29/38/06/649293806.db2.gz BXJXMECVXBNXTA-GJZGRUSLSA-N 2 1 266.429 2.443 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000872145188 649295438 /nfs/dbraw/zinc/29/54/38/649295438.db2.gz PRHRPMUOGZPBRY-QXSJWSMHSA-N 2 1 296.455 2.162 20 0 CEADMP CC(C)c1cc([C@H]2CCC[N@@H+](CCC[NH3+])C2)[nH]n1 ZINC000872146056 649296302 /nfs/dbraw/zinc/29/63/02/649296302.db2.gz CXHQCZAAXSQCCS-LBPRGKRZSA-N 2 1 250.390 2.061 20 0 CEADMP CC(C)c1cc([C@H]2CCC[N@H+](CCC[NH3+])C2)n[nH]1 ZINC000872146056 649296305 /nfs/dbraw/zinc/29/63/05/649296305.db2.gz CXHQCZAAXSQCCS-LBPRGKRZSA-N 2 1 250.390 2.061 20 0 CEADMP C[NH2+]CCC[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000872146341 649296401 /nfs/dbraw/zinc/29/64/01/649296401.db2.gz LPJFUMXXTDZZMQ-UHFFFAOYSA-N 2 1 283.803 2.188 20 0 CEADMP c1ccc2c(c1)CC[C@]21CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000872146334 649296639 /nfs/dbraw/zinc/29/66/39/649296639.db2.gz LMFCIMTVEUGHPB-FUHWJXTLSA-N 2 1 298.430 2.097 20 0 CEADMP Fc1ccc(O[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000872146271 649296689 /nfs/dbraw/zinc/29/66/89/649296689.db2.gz JEQSUMKAALPEPX-INIZCTEOSA-N 2 1 278.371 2.278 20 0 CEADMP Cc1ccc(CNC(=O)C[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000872155404 649298140 /nfs/dbraw/zinc/29/81/40/649298140.db2.gz RCGFHNDPUDQJMS-UHFFFAOYSA-N 2 1 291.439 2.062 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OC2CCC2)CC1 ZINC000872282224 649342815 /nfs/dbraw/zinc/34/28/15/649342815.db2.gz DWPHXINLWJMTDG-WBVHZDCISA-N 2 1 298.471 2.111 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OC2CCC2)CC1 ZINC000872282224 649342817 /nfs/dbraw/zinc/34/28/17/649342817.db2.gz DWPHXINLWJMTDG-WBVHZDCISA-N 2 1 298.471 2.111 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872282224 649342820 /nfs/dbraw/zinc/34/28/20/649342820.db2.gz DWPHXINLWJMTDG-WBVHZDCISA-N 2 1 298.471 2.111 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872282224 649342823 /nfs/dbraw/zinc/34/28/23/649342823.db2.gz DWPHXINLWJMTDG-WBVHZDCISA-N 2 1 298.471 2.111 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000872305675 649351574 /nfs/dbraw/zinc/35/15/74/649351574.db2.gz LUZKRRMCXUEDGW-FZKCQIBNSA-N 2 1 293.455 2.027 20 0 CEADMP C[C@@H]1C[C@H](Nc2cc[nH+]cc2C2CC2)C[N@H+]1C1CC1 ZINC000872476857 649400597 /nfs/dbraw/zinc/40/05/97/649400597.db2.gz ARUSDVFWHDLTSI-YPMHNXCESA-N 2 1 257.381 2.418 20 0 CEADMP CCc1nn(C)cc1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000873223169 649596896 /nfs/dbraw/zinc/59/68/96/649596896.db2.gz ILWJPGFECKOLAG-INIZCTEOSA-N 2 1 278.444 2.179 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000873223866 649597583 /nfs/dbraw/zinc/59/75/83/649597583.db2.gz UBAVAVBFSAJBHH-HIFRSBDPSA-N 2 1 254.418 2.110 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1C(F)(F)F ZINC000873227770 649599120 /nfs/dbraw/zinc/59/91/20/649599120.db2.gz NHGDPGYLHIXAFI-NWDGAFQWSA-N 2 1 298.312 2.132 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1C(F)(F)F ZINC000873227770 649599125 /nfs/dbraw/zinc/59/91/25/649599125.db2.gz NHGDPGYLHIXAFI-NWDGAFQWSA-N 2 1 298.312 2.132 20 0 CEADMP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000873229193 649600672 /nfs/dbraw/zinc/60/06/72/649600672.db2.gz OUUFQLCKWXNSCQ-GRYCIOLGSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000873229193 649600676 /nfs/dbraw/zinc/60/06/76/649600676.db2.gz OUUFQLCKWXNSCQ-GRYCIOLGSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)C1CCOCC1 ZINC000873236109 649604176 /nfs/dbraw/zinc/60/41/76/649604176.db2.gz XJXKBHQDTBEXDX-OCCSQVGLSA-N 2 1 254.418 2.169 20 0 CEADMP C[C@@H]([NH2+]CCSCCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000873253417 649611185 /nfs/dbraw/zinc/61/11/85/649611185.db2.gz XKDBKYIZIMGZHE-NXEZZACHSA-N 2 1 270.364 2.402 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1noc2cc(F)ccc21 ZINC000873274908 649620938 /nfs/dbraw/zinc/62/09/38/649620938.db2.gz HKIPGJWXNJQUKE-RKDXNWHRSA-N 2 1 251.305 2.182 20 0 CEADMP COc1ccccc1OCCN(C)CC[C@@H]1CCC[N@H+]1C ZINC000124970685 649767151 /nfs/dbraw/zinc/76/71/51/649767151.db2.gz WJJDHYDHHBTZKM-HNNXBMFYSA-N 2 1 292.423 2.490 20 0 CEADMP COc1ccccc1OCC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124970685 649767155 /nfs/dbraw/zinc/76/71/55/649767155.db2.gz WJJDHYDHHBTZKM-HNNXBMFYSA-N 2 1 292.423 2.490 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124970685 649767157 /nfs/dbraw/zinc/76/71/57/649767157.db2.gz WJJDHYDHHBTZKM-HNNXBMFYSA-N 2 1 292.423 2.490 20 0 CEADMP COc1ccccc1OCC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000124970685 649767161 /nfs/dbraw/zinc/76/71/61/649767161.db2.gz WJJDHYDHHBTZKM-HNNXBMFYSA-N 2 1 292.423 2.490 20 0 CEADMP COc1ccccc1OCC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000124970685 649767165 /nfs/dbraw/zinc/76/71/65/649767165.db2.gz WJJDHYDHHBTZKM-HNNXBMFYSA-N 2 1 292.423 2.490 20 0 CEADMP CCO[C@H](C[N@@H+](CCOC)CC1CC[NH+](C)CC1)C1CC1 ZINC000879127047 651247318 /nfs/dbraw/zinc/24/73/18/651247318.db2.gz QGLSAONPAZELGV-QGZVFWFLSA-N 2 1 298.471 2.092 20 0 CEADMP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H](O)CN1CCCC1 ZINC000879386258 651296074 /nfs/dbraw/zinc/29/60/74/651296074.db2.gz CMAQIZXXZOQVJZ-HZPDHXFCSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H](O)CN1CCCC1 ZINC000879386258 651296075 /nfs/dbraw/zinc/29/60/75/651296075.db2.gz CMAQIZXXZOQVJZ-HZPDHXFCSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000879386258 651296078 /nfs/dbraw/zinc/29/60/78/651296078.db2.gz CMAQIZXXZOQVJZ-HZPDHXFCSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000879386258 651296081 /nfs/dbraw/zinc/29/60/81/651296081.db2.gz CMAQIZXXZOQVJZ-HZPDHXFCSA-N 2 1 276.424 2.445 20 0 CEADMP CN(C)c1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879572453 651323900 /nfs/dbraw/zinc/32/39/00/651323900.db2.gz HNPXTJCPDBCJGY-DOTOQJQBSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1cccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879572453 651323902 /nfs/dbraw/zinc/32/39/02/651323902.db2.gz HNPXTJCPDBCJGY-DOTOQJQBSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000879572453 651323904 /nfs/dbraw/zinc/32/39/04/651323904.db2.gz HNPXTJCPDBCJGY-DOTOQJQBSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000879572453 651323905 /nfs/dbraw/zinc/32/39/05/651323905.db2.gz HNPXTJCPDBCJGY-DOTOQJQBSA-N 2 1 273.424 2.279 20 0 CEADMP Cc1ncsc1CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573055 651324918 /nfs/dbraw/zinc/32/49/18/651324918.db2.gz LKFHQUCVMAVLLM-OLZOCXBDSA-N 2 1 265.426 2.020 20 0 CEADMP Cc1ncsc1CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573055 651324919 /nfs/dbraw/zinc/32/49/19/651324919.db2.gz LKFHQUCVMAVLLM-OLZOCXBDSA-N 2 1 265.426 2.020 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573055 651324920 /nfs/dbraw/zinc/32/49/20/651324920.db2.gz LKFHQUCVMAVLLM-OLZOCXBDSA-N 2 1 265.426 2.020 20 0 CEADMP Cc1ncsc1CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573055 651324921 /nfs/dbraw/zinc/32/49/21/651324921.db2.gz LKFHQUCVMAVLLM-OLZOCXBDSA-N 2 1 265.426 2.020 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOCC3CCCC3)CC[C@@H]21 ZINC000879579306 651326035 /nfs/dbraw/zinc/32/60/35/651326035.db2.gz KUZLJVNHZMFQBH-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCOCC3CCCC3)CC[C@@H]21 ZINC000879579306 651326039 /nfs/dbraw/zinc/32/60/39/651326039.db2.gz KUZLJVNHZMFQBH-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCOCC3CCCC3)CC[C@@H]21 ZINC000879579306 651326041 /nfs/dbraw/zinc/32/60/41/651326041.db2.gz KUZLJVNHZMFQBH-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOCC3CCCC3)CC[C@@H]21 ZINC000879579306 651326043 /nfs/dbraw/zinc/32/60/43/651326043.db2.gz KUZLJVNHZMFQBH-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1nsc(C)c1CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879581104 651326361 /nfs/dbraw/zinc/32/63/61/651326361.db2.gz WIZPIKTUJNCWLC-OCCSQVGLSA-N 2 1 265.426 2.286 20 0 CEADMP CCOC(=O)CC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879704650 651341555 /nfs/dbraw/zinc/34/15/55/651341555.db2.gz REEJZEKHBZXHFQ-UHFFFAOYSA-N 2 1 284.444 2.239 20 0 CEADMP O[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000128116127 651365994 /nfs/dbraw/zinc/36/59/94/651365994.db2.gz QYJNLKKNORXPCF-YWPYICTPSA-N 2 1 296.361 2.215 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000128116127 651365995 /nfs/dbraw/zinc/36/59/95/651365995.db2.gz QYJNLKKNORXPCF-YWPYICTPSA-N 2 1 296.361 2.215 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000128116127 651365996 /nfs/dbraw/zinc/36/59/96/651365996.db2.gz QYJNLKKNORXPCF-YWPYICTPSA-N 2 1 296.361 2.215 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880143145 651391462 /nfs/dbraw/zinc/39/14/62/651391462.db2.gz YJNJRWUIBGCMFD-ZACQAIPSSA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880143145 651391463 /nfs/dbraw/zinc/39/14/63/651391463.db2.gz YJNJRWUIBGCMFD-ZACQAIPSSA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880143145 651391464 /nfs/dbraw/zinc/39/14/64/651391464.db2.gz YJNJRWUIBGCMFD-ZACQAIPSSA-N 2 1 279.472 2.418 20 0 CEADMP O[C@]1(C[NH+]2CCC(F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000880238411 651406770 /nfs/dbraw/zinc/40/67/70/651406770.db2.gz FKBVVHSJXUWQID-KRWDZBQOSA-N 2 1 292.398 2.057 20 0 CEADMP O[C@]1(C[NH+]2CCC(F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000880238411 651406771 /nfs/dbraw/zinc/40/67/71/651406771.db2.gz FKBVVHSJXUWQID-KRWDZBQOSA-N 2 1 292.398 2.057 20 0 CEADMP CCC1([NH+]2CCCCC2)CC[NH+](CC[C@H](C)O)CC1 ZINC000880254999 651410542 /nfs/dbraw/zinc/41/05/42/651410542.db2.gz WGZPLDAWNVBJDM-HNNXBMFYSA-N 2 1 268.445 2.488 20 0 CEADMP CC[C@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)OC ZINC000880258148 651411081 /nfs/dbraw/zinc/41/10/81/651411081.db2.gz DHTBYOXZSJVIST-DZGCQCFKSA-N 2 1 263.385 2.017 20 0 CEADMP C[C@H]1C[N@H+](CCO[C@H]2CC2(F)F)CCN1c1cc[nH+]cc1 ZINC000880259490 651411532 /nfs/dbraw/zinc/41/15/32/651411532.db2.gz UNMMSLCLYNGITI-JSGCOSHPSA-N 2 1 297.349 2.016 20 0 CEADMP C[C@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CCN1c1cc[nH+]cc1 ZINC000880259490 651411533 /nfs/dbraw/zinc/41/15/33/651411533.db2.gz UNMMSLCLYNGITI-JSGCOSHPSA-N 2 1 297.349 2.016 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259758 651411610 /nfs/dbraw/zinc/41/16/10/651411610.db2.gz IBOKBSHMDFLZKX-HNNXBMFYSA-N 2 1 299.422 2.187 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259758 651411612 /nfs/dbraw/zinc/41/16/12/651411612.db2.gz IBOKBSHMDFLZKX-HNNXBMFYSA-N 3 1 299.422 2.187 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259758 651411613 /nfs/dbraw/zinc/41/16/13/651411613.db2.gz IBOKBSHMDFLZKX-HNNXBMFYSA-N 3 1 299.422 2.187 20 0 CEADMP COc1cccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)n1 ZINC000880261374 651412165 /nfs/dbraw/zinc/41/21/65/651412165.db2.gz JIUFKSZJNIBPHR-AWEZNQCLSA-N 2 1 298.390 2.196 20 0 CEADMP COc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)n1 ZINC000880261374 651412167 /nfs/dbraw/zinc/41/21/67/651412167.db2.gz JIUFKSZJNIBPHR-AWEZNQCLSA-N 2 1 298.390 2.196 20 0 CEADMP CC[N@H+](CCn1cc[nH+]c1C)[C@@H](CO)c1ccccc1 ZINC000880461828 651445441 /nfs/dbraw/zinc/44/54/41/651445441.db2.gz JXZFCJUQFNTSMW-INIZCTEOSA-N 2 1 273.380 2.247 20 0 CEADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@@H](CO)c1ccccc1 ZINC000880461828 651445442 /nfs/dbraw/zinc/44/54/42/651445442.db2.gz JXZFCJUQFNTSMW-INIZCTEOSA-N 2 1 273.380 2.247 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nnc(C(C)(C)C)o1 ZINC000882581179 652145047 /nfs/dbraw/zinc/14/50/47/652145047.db2.gz POXYBJVHEALYQV-LBPRGKRZSA-N 2 1 297.447 2.051 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nnc(C(C)(C)C)o1 ZINC000882581179 652145051 /nfs/dbraw/zinc/14/50/51/652145051.db2.gz POXYBJVHEALYQV-LBPRGKRZSA-N 2 1 297.447 2.051 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000882991291 652310359 /nfs/dbraw/zinc/31/03/59/652310359.db2.gz UALKFOSXYNKRJD-HZMVEIRTSA-N 2 1 280.456 2.392 20 0 CEADMP COC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCCOC1 ZINC000883167266 652386685 /nfs/dbraw/zinc/38/66/85/652386685.db2.gz UGBNPIZNRFESQA-ULQDDVLXSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(CCOCC2)CO1 ZINC000883416213 652461929 /nfs/dbraw/zinc/46/19/29/652461929.db2.gz PFFNDNLNVFWDII-XHSDSOJGSA-N 2 1 296.455 2.164 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(CCOCC2)CO1 ZINC000883416213 652461930 /nfs/dbraw/zinc/46/19/30/652461930.db2.gz PFFNDNLNVFWDII-XHSDSOJGSA-N 2 1 296.455 2.164 20 0 CEADMP CC1(C)CCC[C@H](C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)O1 ZINC000883437674 652469596 /nfs/dbraw/zinc/46/95/96/652469596.db2.gz XZEKFXCXSBGHFZ-NFAWXSAZSA-N 2 1 252.402 2.147 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)O1 ZINC000883437674 652469600 /nfs/dbraw/zinc/46/96/00/652469600.db2.gz XZEKFXCXSBGHFZ-NFAWXSAZSA-N 2 1 252.402 2.147 20 0 CEADMP CC1(C)CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)O1 ZINC000883437672 652469767 /nfs/dbraw/zinc/46/97/67/652469767.db2.gz XZEKFXCXSBGHFZ-GUTXKFCHSA-N 2 1 252.402 2.147 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)O1 ZINC000883437672 652469768 /nfs/dbraw/zinc/46/97/68/652469768.db2.gz XZEKFXCXSBGHFZ-GUTXKFCHSA-N 2 1 252.402 2.147 20 0 CEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc2ccccc2c1 ZINC000883442909 652471387 /nfs/dbraw/zinc/47/13/87/652471387.db2.gz VVRDPFAFXCHMDQ-HOTGVXAUSA-N 2 1 297.402 2.494 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H]2CC3(CCC3)CO2)[C@@H]1C ZINC000883445618 652472715 /nfs/dbraw/zinc/47/27/15/652472715.db2.gz GWWMQLCFOZEIHL-KBUPBQIOSA-N 2 1 266.429 2.393 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H]2CC3(CCC3)CO2)[C@@H]1C ZINC000883445618 652472719 /nfs/dbraw/zinc/47/27/19/652472719.db2.gz GWWMQLCFOZEIHL-KBUPBQIOSA-N 2 1 266.429 2.393 20 0 CEADMP CO[C@@]1(C(F)(F)F)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000883447504 652473308 /nfs/dbraw/zinc/47/33/08/652473308.db2.gz DCZBFZFLLYDNCJ-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP c1cc(C[N@@H+]2CC[NH2+]CCC23CCC3)c2c(c1)COCC2 ZINC000883459924 652477292 /nfs/dbraw/zinc/47/72/92/652477292.db2.gz KWNFIEYALHRJTF-UHFFFAOYSA-N 2 1 286.419 2.477 20 0 CEADMP c1ccc2c(c1)C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCCN21 ZINC000883462718 652477857 /nfs/dbraw/zinc/47/78/57/652477857.db2.gz YCAUTKOJTKCHKK-HOCLYGCPSA-N 2 1 271.408 2.081 20 0 CEADMP c1ccc2c(c1)C[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCCN21 ZINC000883461881 652478202 /nfs/dbraw/zinc/47/82/02/652478202.db2.gz FSKNDEVBCIJUMA-DOTOQJQBSA-N 2 1 285.435 2.471 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925482133 652614389 /nfs/dbraw/zinc/61/43/89/652614389.db2.gz LLJOQIKVLZEMNO-UONOGXRCSA-N 2 1 255.450 2.214 20 0 CEADMP CCCCN(C)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925482133 652614390 /nfs/dbraw/zinc/61/43/90/652614390.db2.gz LLJOQIKVLZEMNO-UONOGXRCSA-N 2 1 255.450 2.214 20 0 CEADMP C[NH2+][C@@H](CC(C)C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000884190740 652747124 /nfs/dbraw/zinc/74/71/24/652747124.db2.gz LFJWUYXATFQLOK-HOTGVXAUSA-N 2 1 297.487 2.391 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884220898 652756570 /nfs/dbraw/zinc/75/65/70/652756570.db2.gz DWXLYSVCFSGJLN-HUUCEWRRSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@@H](C)C[N@H+]1C ZINC001164635806 719253756 /nfs/dbraw/zinc/25/37/56/719253756.db2.gz QNWURWHLQNDCDG-CABCVRRESA-N 2 1 288.439 2.206 20 0 CEADMP C[C@@H]1CC([NH2+]C2CN(C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012768 805713340 /nfs/dbraw/zinc/71/33/40/805713340.db2.gz DWLKVMJISKRWEJ-HUUCEWRRSA-N 2 1 287.451 2.332 20 0 CEADMP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001271103017 805740503 /nfs/dbraw/zinc/74/05/03/805740503.db2.gz TZLWEENNMLVAFC-ZWOPJXCPSA-N 2 1 295.471 2.121 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001087578993 805755533 /nfs/dbraw/zinc/75/55/33/805755533.db2.gz BJGUXXCSLILCDH-CAOSSQGBSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1CC ZINC001087578993 805755536 /nfs/dbraw/zinc/75/55/36/805755536.db2.gz BJGUXXCSLILCDH-CAOSSQGBSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1CC ZINC001087578993 805755543 /nfs/dbraw/zinc/75/55/43/805755543.db2.gz BJGUXXCSLILCDH-CAOSSQGBSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1CC ZINC001087712359 805777296 /nfs/dbraw/zinc/77/72/96/805777296.db2.gz DQMKXSHFCGHUAG-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CCC(C)C)C1 ZINC001271681791 806019484 /nfs/dbraw/zinc/01/94/84/806019484.db2.gz AVHTUXMLUPEQHL-JKSUJKDBSA-N 2 1 297.487 2.058 20 0 CEADMP C[NH+]1CCC2(C[NH+](Cc3[nH]cnc3C(C)(C)C)C2)CC1 ZINC001142235191 806227116 /nfs/dbraw/zinc/22/71/16/806227116.db2.gz QMBSCCMTEOGKFM-UHFFFAOYSA-N 2 1 276.428 2.235 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)C(C)C)C1 ZINC001029910298 806285902 /nfs/dbraw/zinc/28/59/02/806285902.db2.gz DJESCROXTKATRT-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)C(C)C)C1 ZINC001029910298 806285908 /nfs/dbraw/zinc/28/59/08/806285908.db2.gz DJESCROXTKATRT-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)C(C)C)C1 ZINC001029910298 806285917 /nfs/dbraw/zinc/28/59/17/806285917.db2.gz DJESCROXTKATRT-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCCCC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203213698 806446758 /nfs/dbraw/zinc/44/67/58/806446758.db2.gz FBNSWJDERLSSHF-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP COC(=O)[C@]1(C)CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168324386 806653207 /nfs/dbraw/zinc/65/32/07/806653207.db2.gz NIDYXOBNFJFDMN-ZBCRRDGASA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@]3(CCC(=O)O3)C2)CC1 ZINC001168328443 806658208 /nfs/dbraw/zinc/65/82/08/806658208.db2.gz GTPYRIFHPJGONQ-XUJLQICISA-N 2 1 280.412 2.031 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@]3(CCO3)C2)CC1 ZINC001168328182 806658824 /nfs/dbraw/zinc/65/88/24/806658824.db2.gz YSKHRWPAWYGYMF-YMAMQOFZSA-N 2 1 252.402 2.114 20 0 CEADMP CNc1cc(NCC[NH+](C(C)C)C(C)C)nc[nH+]1 ZINC000128329945 806729997 /nfs/dbraw/zinc/72/99/97/806729997.db2.gz PASFVTYAWCSZFY-UHFFFAOYSA-N 2 1 251.378 2.049 20 0 CEADMP C[C@@H](CC[NH2+]Cc1cc2ccccc2[nH]c1=O)[NH+](C)C ZINC000697935325 806789274 /nfs/dbraw/zinc/78/92/74/806789274.db2.gz JOIHOIGPGKNWLJ-LBPRGKRZSA-N 2 1 273.380 2.370 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000081292797 806810230 /nfs/dbraw/zinc/81/02/30/806810230.db2.gz BCAIXHMISNBBPA-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000081292797 806810238 /nfs/dbraw/zinc/81/02/38/806810238.db2.gz BCAIXHMISNBBPA-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000081292797 806810247 /nfs/dbraw/zinc/81/02/47/806810247.db2.gz BCAIXHMISNBBPA-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)CC[C@@]1(C)O ZINC001208108341 802342003 /nfs/dbraw/zinc/34/20/03/802342003.db2.gz TVKQLXQUWCHPTD-GOEBONIOSA-N 2 1 268.445 2.201 20 0 CEADMP Cn1ccc2c1cc[nH+]c2-n1ccnc1[C@H]1CCC[NH2+]C1 ZINC001167057234 802354946 /nfs/dbraw/zinc/35/49/46/802354946.db2.gz SPQJLIFMZYIWRD-LBPRGKRZSA-N 2 1 281.363 2.226 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208185699 802377873 /nfs/dbraw/zinc/37/78/73/802377873.db2.gz IDYWJDNEILIIJR-HUUCEWRRSA-N 2 1 296.455 2.239 20 0 CEADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)CC1 ZINC001208603485 802387285 /nfs/dbraw/zinc/38/72/85/802387285.db2.gz CXADJMWMAUPWIB-CABCVRRESA-N 2 1 264.413 2.019 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000724500832 802436289 /nfs/dbraw/zinc/43/62/89/802436289.db2.gz FPHFGNBGJDWAIB-YVECIDJPSA-N 2 1 276.371 2.106 20 0 CEADMP CC[N@H+](CC=C(C)C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001266390628 802516055 /nfs/dbraw/zinc/51/60/55/802516055.db2.gz FNJGTPSSVMHPQR-MRXNPFEDSA-N 2 1 295.471 2.264 20 0 CEADMP CC[NH+](CC=C(C)C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266390628 802516058 /nfs/dbraw/zinc/51/60/58/802516058.db2.gz FNJGTPSSVMHPQR-MRXNPFEDSA-N 2 1 295.471 2.264 20 0 CEADMP CC[NH+](CC=C(C)C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001266390628 802516061 /nfs/dbraw/zinc/51/60/61/802516061.db2.gz FNJGTPSSVMHPQR-MRXNPFEDSA-N 2 1 295.471 2.264 20 0 CEADMP Cc1ccc(C[NH+]2CCN(CC[NH3+])CC2)c(C)c1Cl ZINC001210029068 802619065 /nfs/dbraw/zinc/61/90/65/802619065.db2.gz QNYZTKPDZUNWRN-UHFFFAOYSA-N 2 1 281.831 2.033 20 0 CEADMP C[N@H+]1CC[C@H](Nc2cc(C[NH+]3CCCCC3)ccn2)C1 ZINC001167273193 802621646 /nfs/dbraw/zinc/62/16/46/802621646.db2.gz WLMZSBRWPWDEHO-HNNXBMFYSA-N 2 1 274.412 2.184 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000721427550 802627731 /nfs/dbraw/zinc/62/77/31/802627731.db2.gz QNWFDQZBJSQRDJ-USZNOCQGSA-N 2 1 280.334 2.156 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000721427550 802627736 /nfs/dbraw/zinc/62/77/36/802627736.db2.gz QNWFDQZBJSQRDJ-USZNOCQGSA-N 2 1 280.334 2.156 20 0 CEADMP C[C@@H]1C[C@H](NCc2cccc3c2OCC3)CC[N@H+]1C ZINC000693128302 802659493 /nfs/dbraw/zinc/65/94/93/802659493.db2.gz SDFNXJRUPVPVRT-IUODEOHRSA-N 2 1 260.381 2.194 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2OCC3)CCN1C ZINC000693128302 802659496 /nfs/dbraw/zinc/65/94/96/802659496.db2.gz SDFNXJRUPVPVRT-IUODEOHRSA-N 2 1 260.381 2.194 20 0 CEADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001266514896 802663604 /nfs/dbraw/zinc/66/36/04/802663604.db2.gz IZKRJVNDXMGVJB-DKLOGILVSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000711818032 810098579 /nfs/dbraw/zinc/09/85/79/810098579.db2.gz QGQIRZIKBADVJW-UHFFFAOYSA-N 2 1 262.401 2.040 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1OC ZINC000723688829 802925118 /nfs/dbraw/zinc/92/51/18/802925118.db2.gz AAULOCXFKFKAHJ-ZDUSSCGKSA-N 2 1 278.396 2.183 20 0 CEADMP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723696434 802925591 /nfs/dbraw/zinc/92/55/91/802925591.db2.gz VHZGUAPCGXNZKV-LBPRGKRZSA-N 2 1 295.814 2.258 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCCN(C)c2ccccc2)C[NH2+]1 ZINC000399118418 802951131 /nfs/dbraw/zinc/95/11/31/802951131.db2.gz NRCRAZCPCDZEBS-HUUCEWRRSA-N 2 1 261.413 2.243 20 0 CEADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399189829 802978527 /nfs/dbraw/zinc/97/85/27/802978527.db2.gz PIDVZNKSRHWWNH-ZDUSSCGKSA-N 2 1 296.842 2.317 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCOC1 ZINC000723985187 802985068 /nfs/dbraw/zinc/98/50/68/802985068.db2.gz CPZPFXBURMFINZ-KFWWJZLASA-N 2 1 254.418 2.123 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000723997353 802990697 /nfs/dbraw/zinc/99/06/97/802990697.db2.gz FNURUZLPLQNSPH-KBMXLJTQSA-N 2 1 266.429 2.123 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000723997355 802990790 /nfs/dbraw/zinc/99/07/90/802990790.db2.gz FNURUZLPLQNSPH-VNQPRFMTSA-N 2 1 266.429 2.123 20 0 CEADMP CC(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001038238024 803123631 /nfs/dbraw/zinc/12/36/31/803123631.db2.gz DTQMCUCARBMQCZ-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001038238024 803123636 /nfs/dbraw/zinc/12/36/36/803123636.db2.gz DTQMCUCARBMQCZ-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP COCC[C@@H]1CCCC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207285743 803133230 /nfs/dbraw/zinc/13/32/30/803133230.db2.gz NLDXSEHWRVWJLT-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCC1=CCCCC1 ZINC001267188999 803211065 /nfs/dbraw/zinc/21/10/65/803211065.db2.gz PMJZGYUBIMZPFR-MRXNPFEDSA-N 2 1 293.455 2.019 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CCC1 ZINC001167634343 803221817 /nfs/dbraw/zinc/22/18/17/803221817.db2.gz IAXVXWUAUWIHAI-INIZCTEOSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[C@H](O)c2ccccc2)CC[N@H+]1C ZINC000721364716 803294197 /nfs/dbraw/zinc/29/41/97/803294197.db2.gz NUKVPOBNQBJARV-BMFZPTHFSA-N 2 1 262.397 2.182 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721555408 803333103 /nfs/dbraw/zinc/33/31/03/803333103.db2.gz MLIHLIZBTKHQHI-OCCSQVGLSA-N 2 1 265.401 2.146 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CCC(C)C)C1 ZINC001267416710 803461735 /nfs/dbraw/zinc/46/17/35/803461735.db2.gz XLJWGVJBHKNWFI-INIZCTEOSA-N 2 1 297.487 2.203 20 0 CEADMP c1ccc2c(c1)CC[N@H+](CCCN[C@H]1CC[NH2+]C13CCC3)C2 ZINC000925529558 803703291 /nfs/dbraw/zinc/70/32/91/803703291.db2.gz ZLZBAZVSZJFXKP-SFHVURJKSA-N 2 1 299.462 2.309 20 0 CEADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000893301738 803765278 /nfs/dbraw/zinc/76/52/78/803765278.db2.gz ACKQHAPTBGVAEE-UHFFFAOYSA-N 2 1 276.428 2.432 20 0 CEADMP C[C@@H]([NH3+])[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccccc1 ZINC000925607989 803777551 /nfs/dbraw/zinc/77/75/51/803777551.db2.gz SJYJKWOKYHVPDU-LUYZLQTOSA-N 2 1 262.397 2.216 20 0 CEADMP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)CC1 ZINC001207487261 803809182 /nfs/dbraw/zinc/80/91/82/803809182.db2.gz VQZPWFLCBMNLRE-AVGNSLFASA-N 2 1 292.345 2.122 20 0 CEADMP C[NH+]1CCC(CC[N@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)CC1 ZINC001207487261 803809191 /nfs/dbraw/zinc/80/91/91/803809191.db2.gz VQZPWFLCBMNLRE-AVGNSLFASA-N 2 1 292.345 2.122 20 0 CEADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc(OC)ccc1OC(F)F ZINC001117953176 814969267 /nfs/dbraw/zinc/96/92/67/814969267.db2.gz BVIBITFVMSSKKM-SNVBAGLBSA-N 2 1 288.338 2.384 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715516012 814970391 /nfs/dbraw/zinc/97/03/91/814970391.db2.gz CCFMLYIKQMGMJM-AEGPPILISA-N 2 1 252.402 2.005 20 0 CEADMP CCC[N@@H+](C[C@H]1CC[C@H](C2CC2)O1)C1CC[NH2+]CC1 ZINC000715528184 814972601 /nfs/dbraw/zinc/97/26/01/814972601.db2.gz ANOXOELCAFIGFY-HZPDHXFCSA-N 2 1 266.429 2.408 20 0 CEADMP [NH3+]CC1(F)CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC001222533133 803895058 /nfs/dbraw/zinc/89/50/58/803895058.db2.gz TWKIMAQUKYEATF-UHFFFAOYSA-N 2 1 258.287 2.228 20 0 CEADMP CC(C)[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001026886792 803912826 /nfs/dbraw/zinc/91/28/26/803912826.db2.gz FRVGWRRSBUBGRL-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001027410883 804064571 /nfs/dbraw/zinc/06/45/71/804064571.db2.gz HZVUWMWHIHIJOK-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)C(C)C)C2)CC[N@H+]1C ZINC001027418069 804065363 /nfs/dbraw/zinc/06/53/63/804065363.db2.gz QHHOPRSYPBTPMV-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@H+](C)C(C)C)C2)CC[NH+]1C ZINC001027418069 804065370 /nfs/dbraw/zinc/06/53/70/804065370.db2.gz QHHOPRSYPBTPMV-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)C(C)C)C2)CC[NH+]1C ZINC001027418069 804065380 /nfs/dbraw/zinc/06/53/80/804065380.db2.gz QHHOPRSYPBTPMV-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001027601610 804147300 /nfs/dbraw/zinc/14/73/00/804147300.db2.gz FQEHWPHMIBXTJC-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCCc3[nH]ncc32)CC1 ZINC000423429844 804162123 /nfs/dbraw/zinc/16/21/23/804162123.db2.gz SXVPWPIOAONYLR-OBJOEFQTSA-N 2 1 262.401 2.142 20 0 CEADMP CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027795373 804261978 /nfs/dbraw/zinc/26/19/78/804261978.db2.gz UFAHYZFDOODTEA-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc(OC)cc2)C1 ZINC001118351206 815005318 /nfs/dbraw/zinc/00/53/18/815005318.db2.gz YJSGYSKKXGBOMV-CYBMUJFWSA-N 2 1 290.411 2.363 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC2CC2)CC1 ZINC001167812677 804358383 /nfs/dbraw/zinc/35/83/83/804358383.db2.gz SWWRMRQXEJEFMC-UHFFFAOYSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716028125 815015263 /nfs/dbraw/zinc/01/52/63/815015263.db2.gz ZKFYUTIEQYQLCF-APYLGABCSA-N 2 1 254.443 2.391 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]12CCOC2 ZINC001167833696 804412597 /nfs/dbraw/zinc/41/25/97/804412597.db2.gz DHFOBFXCERMDKL-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CCNC(=O)[C@@H]1CCC[N@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167834811 804420603 /nfs/dbraw/zinc/42/06/03/804420603.db2.gz MUVJLYGSTJBYJT-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001167837931 804433076 /nfs/dbraw/zinc/43/30/76/804433076.db2.gz OGLVTBQTVTTXOV-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127078867 807009747 /nfs/dbraw/zinc/00/97/47/807009747.db2.gz UHXSFNQFBPBIRQ-HNNXBMFYSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)[N@@H+](C)Cc1nn([C@@H]2C[C@H]3C[C@H]3C2)c2c1CC[NH2+]C2 ZINC001167928892 804852016 /nfs/dbraw/zinc/85/20/16/804852016.db2.gz UVSJDZHJTQUMBK-BTTYYORXSA-N 2 1 288.439 2.340 20 0 CEADMP c1cc(N2CC[C@@]3(C2)CCC[NH2+]C3)[nH+]c2c1CCC2 ZINC000710029008 804908743 /nfs/dbraw/zinc/90/87/43/804908743.db2.gz CEWOIBQIRQXACX-INIZCTEOSA-N 2 1 257.381 2.150 20 0 CEADMP CCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001269262515 805104585 /nfs/dbraw/zinc/10/45/85/805104585.db2.gz IJPLYLIWROZUNU-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001269262515 805104592 /nfs/dbraw/zinc/10/45/92/805104592.db2.gz IJPLYLIWROZUNU-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001269262515 805104600 /nfs/dbraw/zinc/10/46/00/805104600.db2.gz IJPLYLIWROZUNU-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCC/C=C\CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001269269185 805105381 /nfs/dbraw/zinc/10/53/81/805105381.db2.gz VGQVXLWNKOOMCL-XITLMJRVSA-N 2 1 295.471 2.217 20 0 CEADMP C[N@@H+](CCc1ccncc1)C1CC[NH+](CC2CC2)CC1 ZINC001168390498 807052981 /nfs/dbraw/zinc/05/29/81/807052981.db2.gz IIMSSRJKYCHWQE-UHFFFAOYSA-N 2 1 273.424 2.430 20 0 CEADMP CC(C)C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959824 805313981 /nfs/dbraw/zinc/31/39/81/805313981.db2.gz SOLOGXWQMONRJW-IFFAKLHKSA-N 2 1 280.456 2.388 20 0 CEADMP CC1(C)OCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CO1 ZINC001167968325 805491701 /nfs/dbraw/zinc/49/17/01/805491701.db2.gz PEPRHLYOGKJVQD-VHRNVKJDSA-N 2 1 294.439 2.133 20 0 CEADMP CC1(C)OCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CO1 ZINC001167968325 805491704 /nfs/dbraw/zinc/49/17/04/805491704.db2.gz PEPRHLYOGKJVQD-VHRNVKJDSA-N 2 1 294.439 2.133 20 0 CEADMP CC1(C)OC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)O1 ZINC001167968226 805491875 /nfs/dbraw/zinc/49/18/75/805491875.db2.gz OCDTXGBWLJCADC-WTXIUTQJSA-N 2 1 294.439 2.133 20 0 CEADMP CC/C=C/CC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001270643352 805502058 /nfs/dbraw/zinc/50/20/58/805502058.db2.gz WMPALTMEKBYJAH-IWAYRVGRSA-N 2 1 295.471 2.265 20 0 CEADMP CC/C=C/CC[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001270643352 805502064 /nfs/dbraw/zinc/50/20/64/805502064.db2.gz WMPALTMEKBYJAH-IWAYRVGRSA-N 2 1 295.471 2.265 20 0 CEADMP CC/C=C/CC[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001270643352 805502070 /nfs/dbraw/zinc/50/20/70/805502070.db2.gz WMPALTMEKBYJAH-IWAYRVGRSA-N 2 1 295.471 2.265 20 0 CEADMP C[N@H+]1CCC[C@](C)(NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167977860 805513099 /nfs/dbraw/zinc/51/30/99/805513099.db2.gz GVNBBLNQPQXNNY-FBVQUNGASA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@](C)(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167977860 805513105 /nfs/dbraw/zinc/51/31/05/805513105.db2.gz GVNBBLNQPQXNNY-FBVQUNGASA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@](C)(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167977860 805513109 /nfs/dbraw/zinc/51/31/09/805513109.db2.gz GVNBBLNQPQXNNY-FBVQUNGASA-N 2 1 291.483 2.466 20 0 CEADMP CN1CCC[C@](C)([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167977860 805513113 /nfs/dbraw/zinc/51/31/13/805513113.db2.gz GVNBBLNQPQXNNY-FBVQUNGASA-N 2 1 291.483 2.466 20 0 CEADMP CN1CCC[C@](C)([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167977860 805513117 /nfs/dbraw/zinc/51/31/17/805513117.db2.gz GVNBBLNQPQXNNY-FBVQUNGASA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+](C)C1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167982127 805516370 /nfs/dbraw/zinc/51/63/70/805516370.db2.gz XQTKSOUXJAFYIT-JWTNVVGKSA-N 2 1 291.483 2.418 20 0 CEADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@H]1O ZINC001167984706 805537199 /nfs/dbraw/zinc/53/71/99/805537199.db2.gz PVSRFWIKXGHJSK-SCBLWJDOSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@H]1O ZINC001167984706 805537204 /nfs/dbraw/zinc/53/72/04/805537204.db2.gz PVSRFWIKXGHJSK-SCBLWJDOSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@H]1O ZINC001167984706 805537208 /nfs/dbraw/zinc/53/72/08/805537208.db2.gz PVSRFWIKXGHJSK-SCBLWJDOSA-N 2 1 292.467 2.485 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCC1CCC1 ZINC001127078124 807008821 /nfs/dbraw/zinc/00/88/21/807008821.db2.gz MJAVXDJHRPRAQG-MRXNPFEDSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCC(C)(C)C)C1 ZINC001030302223 807140362 /nfs/dbraw/zinc/14/03/62/807140362.db2.gz XXZZODGNOMLVSQ-OAHLLOKOSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCC(C)(C)C)C1 ZINC001030302223 807140365 /nfs/dbraw/zinc/14/03/65/807140365.db2.gz XXZZODGNOMLVSQ-OAHLLOKOSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[NH+]1CC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030444984 807190904 /nfs/dbraw/zinc/19/09/04/807190904.db2.gz RAXUVNPISWHUMR-INIZCTEOSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000716224732 815107853 /nfs/dbraw/zinc/10/78/53/815107853.db2.gz CMFOWKHRXIHSIV-LYAPFXNSSA-N 2 1 274.408 2.464 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CCC3)CO2)CC[N@H+]1C ZINC000716292390 815111405 /nfs/dbraw/zinc/11/14/05/815111405.db2.gz YZWDSGLRJNYNJF-QLFBSQMISA-N 2 1 266.429 2.408 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716303927 815112463 /nfs/dbraw/zinc/11/24/63/815112463.db2.gz XXAXAAALKZPWIB-GJZGRUSLSA-N 2 1 266.429 2.267 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H]1CCC2(CCC2)CO1 ZINC000716321625 815114527 /nfs/dbraw/zinc/11/45/27/815114527.db2.gz ZQRVPPZUFLFYQD-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H]1CCC2(CCC2)CO1 ZINC000716321625 815114528 /nfs/dbraw/zinc/11/45/28/815114528.db2.gz ZQRVPPZUFLFYQD-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP CCCCC[N@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001272470558 807512646 /nfs/dbraw/zinc/51/26/46/807512646.db2.gz IOIQNYYOCZYEPT-QGZVFWFLSA-N 2 1 295.471 2.195 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCC[NH2+]C)C1 ZINC001121923895 807533570 /nfs/dbraw/zinc/53/35/70/807533570.db2.gz UMXYHDNRIBRNLL-OAHLLOKOSA-N 2 1 297.487 2.393 20 0 CEADMP CCOc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)ccc1O ZINC001205094004 807575612 /nfs/dbraw/zinc/57/56/12/807575612.db2.gz IPERICNZIPWEHN-ZDUSSCGKSA-N 2 1 264.369 2.104 20 0 CEADMP Cn1ccc2ccc(C[N@H+]3CCC[C@@H]([NH3+])CC3)cc21 ZINC001205102875 807637827 /nfs/dbraw/zinc/63/78/27/807637827.db2.gz VMIJFFZYBKBHFP-OAHLLOKOSA-N 2 1 257.381 2.492 20 0 CEADMP CC1(C)C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCS1 ZINC000699224649 807655111 /nfs/dbraw/zinc/65/51/11/807655111.db2.gz AJMLWVWTDWDOKU-YHWZYXNKSA-N 2 1 254.443 2.344 20 0 CEADMP CCOc1cc(OC)ccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205130506 807734633 /nfs/dbraw/zinc/73/46/33/807734633.db2.gz GVWCVDRLXCYXKV-AWEZNQCLSA-N 2 1 278.396 2.407 20 0 CEADMP CCOc1cc(OC)ccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205130506 807734637 /nfs/dbraw/zinc/73/46/37/807734637.db2.gz GVWCVDRLXCYXKV-AWEZNQCLSA-N 2 1 278.396 2.407 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1c2c(nn1C)CCC2 ZINC000921495933 808059916 /nfs/dbraw/zinc/05/99/16/808059916.db2.gz JRAZQHDDYMQTIM-CQSZACIVSA-N 2 1 290.455 2.263 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1c2c(nn1C)CCC2 ZINC000921495933 808059923 /nfs/dbraw/zinc/05/99/23/808059923.db2.gz JRAZQHDDYMQTIM-CQSZACIVSA-N 2 1 290.455 2.263 20 0 CEADMP COc1ccoc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001237875200 808263331 /nfs/dbraw/zinc/26/33/31/808263331.db2.gz SVMQKCLGRCPNRF-UHFFFAOYSA-N 2 1 264.369 2.206 20 0 CEADMP Cc1cc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)n(C)n1 ZINC001171621052 815205366 /nfs/dbraw/zinc/20/53/66/815205366.db2.gz HHBHKIMEXWNDKY-UHFFFAOYSA-N 2 1 278.444 2.470 20 0 CEADMP C[NH+]1C(C)(C)CC([NH2+]C2COC(C)(C)OC2)CC1(C)C ZINC001171622991 815206424 /nfs/dbraw/zinc/20/64/24/815206424.db2.gz GEWPQJSZNSXPQU-UHFFFAOYSA-N 2 1 284.444 2.379 20 0 CEADMP CCC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524106 808456169 /nfs/dbraw/zinc/45/61/69/808456169.db2.gz IBBQOGYZSNGRKV-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[C@H](Nc2nccnc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171732841 815220655 /nfs/dbraw/zinc/22/06/55/815220655.db2.gz GEDOPZCRHVYJQL-HIFRSBDPSA-N 2 1 297.406 2.010 20 0 CEADMP C[C@H]1C[C@@H](N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171758866 815225291 /nfs/dbraw/zinc/22/52/91/815225291.db2.gz CAOISRZVQDSMEP-GDAAHCPNSA-N 2 1 299.462 2.285 20 0 CEADMP C[C@H]1C[C@@H](N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171758866 815225297 /nfs/dbraw/zinc/22/52/97/815225297.db2.gz CAOISRZVQDSMEP-GDAAHCPNSA-N 2 1 299.462 2.285 20 0 CEADMP C[C@H]1C[C@@H](N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171758866 815225302 /nfs/dbraw/zinc/22/53/02/815225302.db2.gz CAOISRZVQDSMEP-GDAAHCPNSA-N 2 1 299.462 2.285 20 0 CEADMP CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120469548 815225776 /nfs/dbraw/zinc/22/57/76/815225776.db2.gz JLKRAPCLYLYTBX-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120469548 815225781 /nfs/dbraw/zinc/22/57/81/815225781.db2.gz JLKRAPCLYLYTBX-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120469548 815225784 /nfs/dbraw/zinc/22/57/84/815225784.db2.gz JLKRAPCLYLYTBX-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001171762369 815227199 /nfs/dbraw/zinc/22/71/99/815227199.db2.gz BGLLEFQFAYTLGJ-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC001120480711 815227548 /nfs/dbraw/zinc/22/75/48/815227548.db2.gz BCUBPHUBBCAUGH-GFCCVEGCSA-N 2 1 295.814 2.210 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC001120480712 815227590 /nfs/dbraw/zinc/22/75/90/815227590.db2.gz BCUBPHUBBCAUGH-LBPRGKRZSA-N 2 1 295.814 2.210 20 0 CEADMP C[C@@H]1C[C@H](N2CC[NH+]3CC[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171767309 815228918 /nfs/dbraw/zinc/22/89/18/815228918.db2.gz MWYCRIKSQQACAQ-NJAFHUGGSA-N 2 1 285.435 2.039 20 0 CEADMP C[C@@H]1C[C@H](N2CC[N@@H+]3CC[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171767309 815228921 /nfs/dbraw/zinc/22/89/21/815228921.db2.gz MWYCRIKSQQACAQ-NJAFHUGGSA-N 2 1 285.435 2.039 20 0 CEADMP C[C@@H]1C[C@H](N2CC[N@H+]3CC[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171767309 815228925 /nfs/dbraw/zinc/22/89/25/815228925.db2.gz MWYCRIKSQQACAQ-NJAFHUGGSA-N 2 1 285.435 2.039 20 0 CEADMP CCN(C1C[NH+](C)C1)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171768833 815228979 /nfs/dbraw/zinc/22/89/79/815228979.db2.gz XFDSHCZWOQPUOA-NVXWUHKLSA-N 2 1 287.451 2.285 20 0 CEADMP CCN(C1C[NH+](C)C1)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171768833 815228982 /nfs/dbraw/zinc/22/89/82/815228982.db2.gz XFDSHCZWOQPUOA-NVXWUHKLSA-N 2 1 287.451 2.285 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CC(C)C ZINC001168614139 808723182 /nfs/dbraw/zinc/72/31/82/808723182.db2.gz ANBOUAIFDZIZCS-UHFFFAOYSA-N 2 1 285.476 2.250 20 0 CEADMP C[C@H](Nc1[nH+]cccc1N1CC[NH2+]CC1)C(C)(C)C ZINC001168683459 808958115 /nfs/dbraw/zinc/95/81/15/808958115.db2.gz KROQPLFEFDSPSR-LBPRGKRZSA-N 2 1 262.401 2.338 20 0 CEADMP CN(OCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982064 815265711 /nfs/dbraw/zinc/26/57/11/815265711.db2.gz GXOUMYOIRKXPBA-MRXNPFEDSA-N 2 1 291.439 2.252 20 0 CEADMP COc1cncc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000700051646 809275330 /nfs/dbraw/zinc/27/53/30/809275330.db2.gz ZAOHHVFFBCJCIC-UHFFFAOYSA-N 2 1 277.412 2.489 20 0 CEADMP CCOC(=O)CCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156378 815282551 /nfs/dbraw/zinc/28/25/51/815282551.db2.gz QIXDYULJOTXQHL-UONOGXRCSA-N 2 1 288.407 2.261 20 0 CEADMP CCOC(=O)CCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156378 815282553 /nfs/dbraw/zinc/28/25/53/815282553.db2.gz QIXDYULJOTXQHL-UONOGXRCSA-N 2 1 288.407 2.261 20 0 CEADMP Cc1cc(C)n(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172100463 815283852 /nfs/dbraw/zinc/28/38/52/815283852.db2.gz QXZBVBLLSUHHGE-PHZGNYQRSA-N 2 1 276.428 2.105 20 0 CEADMP CC(C)N(CCC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100499 815284008 /nfs/dbraw/zinc/28/40/08/815284008.db2.gz CUGQUMKOGRLZDO-FICVDOATSA-N 2 1 253.434 2.061 20 0 CEADMP CC(C)[N@H+](CCC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172100499 815284012 /nfs/dbraw/zinc/28/40/12/815284012.db2.gz CUGQUMKOGRLZDO-FICVDOATSA-N 3 1 253.434 2.061 20 0 CEADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172100499 815284018 /nfs/dbraw/zinc/28/40/18/815284018.db2.gz CUGQUMKOGRLZDO-FICVDOATSA-N 3 1 253.434 2.061 20 0 CEADMP C[N@@H+](C1CC1)[C@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172126997 815287674 /nfs/dbraw/zinc/28/76/74/815287674.db2.gz FPMHQDUOIMNFEX-YVSFHVDLSA-N 2 1 277.456 2.170 20 0 CEADMP C[NH+](C1CC1)[C@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172126997 815287675 /nfs/dbraw/zinc/28/76/75/815287675.db2.gz FPMHQDUOIMNFEX-YVSFHVDLSA-N 2 1 277.456 2.170 20 0 CEADMP C[NH+](C1CC1)[C@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172126997 815287679 /nfs/dbraw/zinc/28/76/79/815287679.db2.gz FPMHQDUOIMNFEX-YVSFHVDLSA-N 2 1 277.456 2.170 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cn3ccccc3n1)C2 ZINC001172100235 815284921 /nfs/dbraw/zinc/28/49/21/815284921.db2.gz BTKSGVLOHPJLRE-RBVVOMGSSA-N 2 1 284.407 2.439 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cn3ccccc3n1)C2 ZINC001172100235 815284922 /nfs/dbraw/zinc/28/49/22/815284922.db2.gz BTKSGVLOHPJLRE-RBVVOMGSSA-N 2 1 284.407 2.439 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cn3ccccc3n1)C2 ZINC001172100235 815284925 /nfs/dbraw/zinc/28/49/25/815284925.db2.gz BTKSGVLOHPJLRE-RBVVOMGSSA-N 2 1 284.407 2.439 20 0 CEADMP Cc1ncc(C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cn1 ZINC001172127775 815286524 /nfs/dbraw/zinc/28/65/24/815286524.db2.gz LJOMHTLZRJPKHL-ZSHCYNCHSA-N 2 1 274.412 2.232 20 0 CEADMP Cc1ncc(C[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cn1 ZINC001172127775 815286527 /nfs/dbraw/zinc/28/65/27/815286527.db2.gz LJOMHTLZRJPKHL-ZSHCYNCHSA-N 2 1 274.412 2.232 20 0 CEADMP Cc1ncc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cn1 ZINC001172127775 815286531 /nfs/dbraw/zinc/28/65/31/815286531.db2.gz LJOMHTLZRJPKHL-ZSHCYNCHSA-N 2 1 274.412 2.232 20 0 CEADMP Cc1ncc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC001172127775 815286537 /nfs/dbraw/zinc/28/65/37/815286537.db2.gz LJOMHTLZRJPKHL-ZSHCYNCHSA-N 2 1 274.412 2.232 20 0 CEADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001033935237 809458728 /nfs/dbraw/zinc/45/87/28/809458728.db2.gz FEQDAMHGGRIGAF-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](C(C)C)C1 ZINC001033935237 809458736 /nfs/dbraw/zinc/45/87/36/809458736.db2.gz FEQDAMHGGRIGAF-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](C(C)C)C1 ZINC001033935237 809458739 /nfs/dbraw/zinc/45/87/39/809458739.db2.gz FEQDAMHGGRIGAF-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP C[N@H+]([C@H]1CCC2(C1)OCCO2)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131455 815290509 /nfs/dbraw/zinc/29/05/09/815290509.db2.gz XCBGAIYJQXSKQA-XUWVNRHRSA-N 2 1 294.439 2.229 20 0 CEADMP C[N@@H+]([C@H]1CCC2(C1)OCCO2)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131455 815290512 /nfs/dbraw/zinc/29/05/12/815290512.db2.gz XCBGAIYJQXSKQA-XUWVNRHRSA-N 2 1 294.439 2.229 20 0 CEADMP C[NH+]([C@H]1CCC2(C1)OCCO2)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131455 815290515 /nfs/dbraw/zinc/29/05/15/815290515.db2.gz XCBGAIYJQXSKQA-XUWVNRHRSA-N 2 1 294.439 2.229 20 0 CEADMP C[NH+]([C@H]1CCC2(C1)OCCO2)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131455 815290518 /nfs/dbraw/zinc/29/05/18/815290518.db2.gz XCBGAIYJQXSKQA-XUWVNRHRSA-N 2 1 294.439 2.229 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(O)cc1)C2 ZINC001172102322 815293977 /nfs/dbraw/zinc/29/39/77/815293977.db2.gz LZRUPHLGNHVIAZ-QDMKHBRRSA-N 2 1 260.381 2.497 20 0 CEADMP CC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702087685 809505862 /nfs/dbraw/zinc/50/58/62/809505862.db2.gz ADJAHQLMUBIRFU-OKZBNKHCSA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@H](O)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702087685 809505867 /nfs/dbraw/zinc/50/58/67/809505867.db2.gz ADJAHQLMUBIRFU-OKZBNKHCSA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702087685 809505870 /nfs/dbraw/zinc/50/58/70/809505870.db2.gz ADJAHQLMUBIRFU-OKZBNKHCSA-N 2 1 288.435 2.211 20 0 CEADMP COCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1 ZINC001172107706 815295507 /nfs/dbraw/zinc/29/55/07/815295507.db2.gz JZPRRAHBWNXXAZ-BTTYYORXSA-N 2 1 252.402 2.160 20 0 CEADMP COCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001172107706 815295511 /nfs/dbraw/zinc/29/55/11/815295511.db2.gz JZPRRAHBWNXXAZ-BTTYYORXSA-N 2 1 252.402 2.160 20 0 CEADMP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034129128 809526926 /nfs/dbraw/zinc/52/69/26/809526926.db2.gz AHPOLBPCMVYYTR-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034129128 809526929 /nfs/dbraw/zinc/52/69/29/809526929.db2.gz AHPOLBPCMVYYTR-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034129128 809526933 /nfs/dbraw/zinc/52/69/33/809526933.db2.gz AHPOLBPCMVYYTR-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP C[NH+](C)CC(C)(C)CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105941 815296449 /nfs/dbraw/zinc/29/64/49/815296449.db2.gz LMBJFZVSLZWCCP-QDMKHBRRSA-N 2 1 267.461 2.179 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccc(CO)cc1)C2 ZINC001172110862 815299665 /nfs/dbraw/zinc/29/96/65/815299665.db2.gz QDZSETMOOZRWNO-NNZMDNLPSA-N 2 1 288.435 2.326 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[NH+](CC)C2)C1 ZINC001034367760 809587831 /nfs/dbraw/zinc/58/78/31/809587831.db2.gz HQVDWHCIJNSQFP-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCCC[N@H+](CC)C2)C1 ZINC001034367760 809587837 /nfs/dbraw/zinc/58/78/37/809587837.db2.gz HQVDWHCIJNSQFP-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC)C2)C1 ZINC001034367760 809587839 /nfs/dbraw/zinc/58/78/39/809587839.db2.gz HQVDWHCIJNSQFP-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1C[C@@H]2CC[C@@H](Nc3cc[nH+]c4ccccc34)[C@@H]2C1 ZINC001121008813 815304783 /nfs/dbraw/zinc/30/47/83/815304783.db2.gz SJOHAIDCDXHMKM-JGGQBBKZSA-N 2 1 267.376 2.409 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCSc1ccc(F)cc1)C2 ZINC000703539176 809659912 /nfs/dbraw/zinc/65/99/12/809659912.db2.gz ZTTDWXATAWFXEV-SWLSCSKDSA-N 2 1 280.412 2.459 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCSc1ccc(F)cc1)C2 ZINC000703539176 809659916 /nfs/dbraw/zinc/65/99/16/809659916.db2.gz ZTTDWXATAWFXEV-SWLSCSKDSA-N 2 1 280.412 2.459 20 0 CEADMP [NH3+]Cc1ccnn1-c1cc[nH+]cc1-c1ccccc1 ZINC001162597439 809682776 /nfs/dbraw/zinc/68/27/76/809682776.db2.gz FYABMDKVPGSHJK-UHFFFAOYSA-N 2 1 250.305 2.393 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3(C1)CCCOC3)C2 ZINC001172122189 815311868 /nfs/dbraw/zinc/31/18/68/815311868.db2.gz XJLNJAPSRRGKRZ-QDMKHBRRSA-N 2 1 264.413 2.114 20 0 CEADMP CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035228837 809766987 /nfs/dbraw/zinc/76/69/87/809766987.db2.gz CFCZRELNJPTEQY-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@]1(C)COCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000707333202 809896425 /nfs/dbraw/zinc/89/64/25/809896425.db2.gz SNEXQLRLBZTSEH-OAHLLOKOSA-N 2 1 280.437 2.395 20 0 CEADMP CC[C@]1(C)COCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000707333202 809896430 /nfs/dbraw/zinc/89/64/30/809896430.db2.gz SNEXQLRLBZTSEH-OAHLLOKOSA-N 2 1 280.437 2.395 20 0 CEADMP CCOC[C@@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000708270403 809925058 /nfs/dbraw/zinc/92/50/58/809925058.db2.gz KCWSMULWHLUAOT-GFCCVEGCSA-N 2 1 280.437 2.252 20 0 CEADMP C[N@@H+](C[C@H]1CC(C)(C)CO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000708342063 809927428 /nfs/dbraw/zinc/92/74/28/809927428.db2.gz XVUUGYVQJDNGPG-QNMSZWNNSA-N 2 1 252.402 2.016 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)C[C@H]2CCOC2)C1 ZINC000709670574 809950474 /nfs/dbraw/zinc/95/04/74/809950474.db2.gz BEQDMVDCCLDWKL-KFWWJZLASA-N 2 1 254.418 2.121 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000709688965 809952318 /nfs/dbraw/zinc/95/23/18/809952318.db2.gz URNVMPOMUDLFDN-QWHCGFSZSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000709701370 809953118 /nfs/dbraw/zinc/95/31/18/809953118.db2.gz DOTBXGLSLHWHNL-XQQFMLRXSA-N 2 1 254.418 2.249 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C(C)(C)O1 ZINC000709702345 809954563 /nfs/dbraw/zinc/95/45/63/809954563.db2.gz MWYVTMXYRQXGSQ-CJNGLKHVSA-N 2 1 266.429 2.266 20 0 CEADMP C[NH+](C)C1(C)CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000709797160 809970595 /nfs/dbraw/zinc/97/05/95/809970595.db2.gz POLLGGFNGHNTHB-HNNXBMFYSA-N 2 1 268.445 2.344 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCCC2CC2)C[C@H]1C(F)(F)F ZINC000709854632 809973217 /nfs/dbraw/zinc/97/32/17/809973217.db2.gz OLZJSKVXNWUSTC-GHMZBOCLSA-N 2 1 250.308 2.246 20 0 CEADMP CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000710694798 809990217 /nfs/dbraw/zinc/99/02/17/809990217.db2.gz RBHZVVIOYMNJFV-HNNXBMFYSA-N 2 1 283.460 2.228 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)CC[C@@H]1F ZINC001206163146 815334646 /nfs/dbraw/zinc/33/46/46/815334646.db2.gz AEXRUSVEAOSUGJ-LSDHHAIUSA-N 2 1 278.371 2.273 20 0 CEADMP CC1(C)C[C@H](C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C(C)(C)O1 ZINC000711223561 810050132 /nfs/dbraw/zinc/05/01/32/810050132.db2.gz IWIVESLBBSLIGQ-HZSPNIEDSA-N 2 1 266.429 2.406 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C(C)(C)O1 ZINC000711223561 810050135 /nfs/dbraw/zinc/05/01/35/810050135.db2.gz IWIVESLBBSLIGQ-HZSPNIEDSA-N 2 1 266.429 2.406 20 0 CEADMP COCCCN1CCC([N@H+]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001172254193 815360740 /nfs/dbraw/zinc/36/07/40/815360740.db2.gz AZNHASSCKUNHIA-LBPRGKRZSA-N 2 1 294.361 2.372 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001172254193 815360745 /nfs/dbraw/zinc/36/07/45/815360745.db2.gz AZNHASSCKUNHIA-LBPRGKRZSA-N 2 1 294.361 2.372 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001172254193 815360751 /nfs/dbraw/zinc/36/07/51/815360751.db2.gz AZNHASSCKUNHIA-LBPRGKRZSA-N 2 1 294.361 2.372 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015706202 810339470 /nfs/dbraw/zinc/33/94/70/810339470.db2.gz OYQCDKWPECKBIA-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001015706202 810339474 /nfs/dbraw/zinc/33/94/74/810339474.db2.gz OYQCDKWPECKBIA-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015706202 810339481 /nfs/dbraw/zinc/33/94/81/810339481.db2.gz OYQCDKWPECKBIA-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC1(C)C[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172279274 815373781 /nfs/dbraw/zinc/37/37/81/815373781.db2.gz BVZFUBVZDFHXBM-IIAWOOMASA-N 2 1 296.455 2.305 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2COC(C)(C)C2)[C@H](C)C1 ZINC001172280202 815374558 /nfs/dbraw/zinc/37/45/58/815374558.db2.gz OHSNJDFSNRUOPR-MGPQQGTHSA-N 2 1 254.418 2.262 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](O)CC[C@H]1C ZINC001258907621 810682757 /nfs/dbraw/zinc/68/27/57/810682757.db2.gz LKTFYEXMIGFYIJ-ZNMIVQPWSA-N 2 1 256.434 2.342 20 0 CEADMP COC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000721887623 810851333 /nfs/dbraw/zinc/85/13/33/810851333.db2.gz AKKRTNSTMHEGSG-ZNMIVQPWSA-N 2 1 254.418 2.121 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000723141204 811019242 /nfs/dbraw/zinc/01/92/42/811019242.db2.gz CACRODABOMCEGQ-VPOLOUISSA-N 2 1 250.308 2.102 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@H]1CC[NH3+] ZINC000723891089 811032289 /nfs/dbraw/zinc/03/22/89/811032289.db2.gz KSDMZJPQYIOUBH-ZYHUDNBSSA-N 2 1 296.798 2.485 20 0 CEADMP CC[C@@H](C(=O)N1CCC([N@@H+](CC)CC2CC2)CC1)[NH+](C)C ZINC001039489154 811040727 /nfs/dbraw/zinc/04/07/27/811040727.db2.gz NNRORBJSCXOREF-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCOCC[C@H](C)[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001172424827 815418028 /nfs/dbraw/zinc/41/80/28/815418028.db2.gz AZCJFFUDTVQMQX-RDJZCZTQSA-N 2 1 298.471 2.377 20 0 CEADMP CCOCC[C@H](C)[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001172424827 815418032 /nfs/dbraw/zinc/41/80/32/815418032.db2.gz AZCJFFUDTVQMQX-RDJZCZTQSA-N 2 1 298.471 2.377 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ncccc2F)CCC[C@H]1C[NH3+] ZINC001205996369 811344558 /nfs/dbraw/zinc/34/45/58/811344558.db2.gz WOEQUHBGIMZTCJ-RYUDHWBXSA-N 2 1 251.349 2.028 20 0 CEADMP CC[NH+](CC)CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169094887 811365974 /nfs/dbraw/zinc/36/59/74/811365974.db2.gz MTBBCXNUQYFSKE-MUJYYYPQSA-N 3 1 267.461 2.323 20 0 CEADMP CC[NH+](CC)CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169094887 811365978 /nfs/dbraw/zinc/36/59/78/811365978.db2.gz MTBBCXNUQYFSKE-MUJYYYPQSA-N 2 1 267.461 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccccc3nc1C[NH3+])C2 ZINC001169078341 811375756 /nfs/dbraw/zinc/37/57/56/811375756.db2.gz DFVJALOVLMCNTK-ITGUQSILSA-N 2 1 270.380 2.293 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)C2 ZINC001169081558 811375796 /nfs/dbraw/zinc/37/57/96/811375796.db2.gz SVHBWVJBYFQODS-YYIAUSFCSA-N 2 1 274.408 2.109 20 0 CEADMP CN(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169092413 811384404 /nfs/dbraw/zinc/38/44/04/811384404.db2.gz BVMBZOITLUYBND-XGBSXSJOSA-N 2 1 273.424 2.338 20 0 CEADMP CC[N@@H+](C1CCOCC1)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169139937 811387475 /nfs/dbraw/zinc/38/74/75/811387475.db2.gz GHXVTNOUBGIZLC-FICVDOATSA-N 2 1 252.402 2.113 20 0 CEADMP CC[N@H+](C1CCOCC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139937 811387485 /nfs/dbraw/zinc/38/74/85/811387485.db2.gz GHXVTNOUBGIZLC-FICVDOATSA-N 2 1 252.402 2.113 20 0 CEADMP CC[N@@H+](C1CCOCC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139937 811387496 /nfs/dbraw/zinc/38/74/96/811387496.db2.gz GHXVTNOUBGIZLC-FICVDOATSA-N 2 1 252.402 2.113 20 0 CEADMP CC[NH+](C1CCOCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139937 811387502 /nfs/dbraw/zinc/38/75/02/811387502.db2.gz GHXVTNOUBGIZLC-FICVDOATSA-N 2 1 252.402 2.113 20 0 CEADMP CC[NH+](C1CCOCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139937 811387512 /nfs/dbraw/zinc/38/75/12/811387512.db2.gz GHXVTNOUBGIZLC-FICVDOATSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@@]1(C)O ZINC001169126470 811395716 /nfs/dbraw/zinc/39/57/16/811395716.db2.gz UKTLZXWRBSVVJH-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[C@@]1(C)O ZINC001169126470 811395724 /nfs/dbraw/zinc/39/57/24/811395724.db2.gz UKTLZXWRBSVVJH-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[C@@]1(C)O ZINC001169126470 811395728 /nfs/dbraw/zinc/39/57/28/811395728.db2.gz UKTLZXWRBSVVJH-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@H]3[C@H](CC3(F)F)C1)C2 ZINC001169129599 811399389 /nfs/dbraw/zinc/39/93/89/811399389.db2.gz JZSCNVOYQPRVOA-LBELIVKGSA-N 2 1 256.340 2.199 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@H]3[C@H](CC3(F)F)C1)C2 ZINC001169129599 811399395 /nfs/dbraw/zinc/39/93/95/811399395.db2.gz JZSCNVOYQPRVOA-LBELIVKGSA-N 2 1 256.340 2.199 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@H]3[C@H](CC3(F)F)C1)C2 ZINC001169129599 811399402 /nfs/dbraw/zinc/39/94/02/811399402.db2.gz JZSCNVOYQPRVOA-LBELIVKGSA-N 2 1 256.340 2.199 20 0 CEADMP Cc1ccccc1C[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169114762 811405482 /nfs/dbraw/zinc/40/54/82/811405482.db2.gz YCXXIDPFXWYCTJ-XLAORIBOSA-N 2 1 288.435 2.113 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169152301 811414533 /nfs/dbraw/zinc/41/45/33/811414533.db2.gz BUOSGBAAASYGBI-XUWVNRHRSA-N 2 1 265.445 2.026 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169152301 811414536 /nfs/dbraw/zinc/41/45/36/811414536.db2.gz BUOSGBAAASYGBI-XUWVNRHRSA-N 2 1 265.445 2.026 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169152301 811414540 /nfs/dbraw/zinc/41/45/40/811414540.db2.gz BUOSGBAAASYGBI-XUWVNRHRSA-N 2 1 265.445 2.026 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169152230 811415259 /nfs/dbraw/zinc/41/52/59/811415259.db2.gz BKSIVDZILKWHSX-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169152230 811415265 /nfs/dbraw/zinc/41/52/65/811415265.db2.gz BKSIVDZILKWHSX-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169152230 811415272 /nfs/dbraw/zinc/41/52/72/811415272.db2.gz BKSIVDZILKWHSX-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP CCCN(CCC[NH+](C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169152366 811415410 /nfs/dbraw/zinc/41/54/10/811415410.db2.gz BRJXRZLCWMHDBO-ZSHCYNCHSA-N 2 1 267.461 2.275 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(n3cccn3)CC1)C2 ZINC001169155325 811416851 /nfs/dbraw/zinc/41/68/51/811416851.db2.gz NBYBSXJYPKSWHX-ZSHCYNCHSA-N 2 1 274.412 2.145 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](CO)Cc2ccc(Cl)cc2)CC1 ZINC001169224290 811437683 /nfs/dbraw/zinc/43/76/83/811437683.db2.gz HOFLUTVHHKHQEY-INIZCTEOSA-N 2 1 296.842 2.317 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](CO)Cc2ccccc2Cl)CC1 ZINC001169229615 811441727 /nfs/dbraw/zinc/44/17/27/811441727.db2.gz FHLXECXSOIQOEG-HNNXBMFYSA-N 2 1 296.842 2.317 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCc3ccccc3[C@@H]2O)CC1 ZINC001169229565 811442313 /nfs/dbraw/zinc/44/23/13/811442313.db2.gz BIHTWCXXIVEPMC-IRXDYDNUSA-N 2 1 274.408 2.109 20 0 CEADMP CC[NH+]1CCC([NH+]2CCC(N(C)C(=O)C(C)C)CC2)CC1 ZINC001169264688 811453402 /nfs/dbraw/zinc/45/34/02/811453402.db2.gz QTYMRRBBBUYAGT-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]([NH3+])c1ccn(-c2ccc([C@H]3CC[N@@H+](C)C3)cc2)n1 ZINC001169237551 811456860 /nfs/dbraw/zinc/45/68/60/811456860.db2.gz NZYFRQGSEBXUHG-OCCSQVGLSA-N 2 1 270.380 2.311 20 0 CEADMP c1nc(CNc2ccc(C3CC3)c[nH+]2)c2n1CCC[NH2+]C2 ZINC001169242347 811459092 /nfs/dbraw/zinc/45/90/92/811459092.db2.gz IJNKACQFHFILKN-UHFFFAOYSA-N 2 1 283.379 2.261 20 0 CEADMP CC[NH+]1CCC([NH+]2CCC(OC(C)C)CC2)CC1 ZINC001169258223 811468248 /nfs/dbraw/zinc/46/82/48/811468248.db2.gz HEBOOPSMKIDSSY-UHFFFAOYSA-N 2 1 254.418 2.360 20 0 CEADMP Cc1cc(N(C)C)[nH+]cc1N1CCCc2ccc(C[NH3+])nc21 ZINC001169592155 811579997 /nfs/dbraw/zinc/57/99/97/811579997.db2.gz HWWYFBWFVOGLOA-UHFFFAOYSA-N 2 1 297.406 2.394 20 0 CEADMP [NH3+][C@@H](CO)Cc1c[nH+]cn1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172552574 815460101 /nfs/dbraw/zinc/46/01/01/815460101.db2.gz GOJOKVVDSSUDSV-BZUAXINKSA-N 2 1 285.391 2.254 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)nc2)CCC[C@H]1C[NH3+] ZINC001206014968 811607259 /nfs/dbraw/zinc/60/72/59/811607259.db2.gz YSUXMZFUIKWDMR-AAEUAGOBSA-N 2 1 299.365 2.490 20 0 CEADMP Cc1ccc2c(NC[C@@H]3COCC[N@H+]3C)cc[nH+]c2c1 ZINC001169661052 811612504 /nfs/dbraw/zinc/61/25/04/811612504.db2.gz SKTLFQQKFQLDLW-CYBMUJFWSA-N 2 1 271.364 2.286 20 0 CEADMP Cc1ccc2c(NC[C@@H]3COCC[N@@H+]3C)cc[nH+]c2c1 ZINC001169661052 811612507 /nfs/dbraw/zinc/61/25/07/811612507.db2.gz SKTLFQQKFQLDLW-CYBMUJFWSA-N 2 1 271.364 2.286 20 0 CEADMP [NH3+]Cc1ccn(-c2c[nH+]c3cccc(Br)n32)c1 ZINC001169726701 811628524 /nfs/dbraw/zinc/62/85/24/811628524.db2.gz YLLSGHUBHIZYAY-UHFFFAOYSA-N 2 1 291.152 2.346 20 0 CEADMP COc1cc2[nH+]ccn2cc1NC(C)(C)CC[NH+](C)C ZINC001169717373 811640324 /nfs/dbraw/zinc/64/03/24/811640324.db2.gz CTENJNJIHDTHDG-UHFFFAOYSA-N 2 1 276.384 2.485 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3c2OCC3)CCC[C@@H]1C[NH3+] ZINC001206022277 811686354 /nfs/dbraw/zinc/68/63/54/811686354.db2.gz BRNZXRTZFYXRRJ-DZGCQCFKSA-N 2 1 274.408 2.428 20 0 CEADMP Cc1cnc(F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206025657 811717440 /nfs/dbraw/zinc/71/74/40/811717440.db2.gz ORISVMFIVXLOGG-CHWSQXEVSA-N 2 1 265.376 2.336 20 0 CEADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001172613972 815474079 /nfs/dbraw/zinc/47/40/79/815474079.db2.gz BGTBSGMTGGKOMK-ZFWWWQNUSA-N 2 1 282.428 2.134 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001172613972 815474081 /nfs/dbraw/zinc/47/40/81/815474081.db2.gz BGTBSGMTGGKOMK-ZFWWWQNUSA-N 2 1 282.428 2.134 20 0 CEADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001172584805 815476661 /nfs/dbraw/zinc/47/66/61/815476661.db2.gz ARDRORQIVCBDAL-LSDHHAIUSA-N 2 1 284.444 2.430 20 0 CEADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001172584805 815476664 /nfs/dbraw/zinc/47/66/64/815476664.db2.gz ARDRORQIVCBDAL-LSDHHAIUSA-N 2 1 284.444 2.430 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2N)CCC[C@@H]1C[NH3+] ZINC001206027849 811885153 /nfs/dbraw/zinc/88/51/53/811885153.db2.gz WXRMMLUWTJRSGL-NWDGAFQWSA-N 2 1 265.376 2.215 20 0 CEADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653871 811923729 /nfs/dbraw/zinc/92/37/29/811923729.db2.gz KGZCIKKGXLMVFG-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)CCC[C@H](C)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001170063517 812022435 /nfs/dbraw/zinc/02/24/35/812022435.db2.gz DGJIFJFZTCZQSC-HOCLYGCPSA-N 2 1 267.461 2.214 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001112966029 812128240 /nfs/dbraw/zinc/12/82/40/812128240.db2.gz SCFUQRCNOAQWSS-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441831 812241276 /nfs/dbraw/zinc/24/12/76/812241276.db2.gz WQFHDCOAYNUFSW-MRXNPFEDSA-N 2 1 297.487 2.297 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001113499385 812262719 /nfs/dbraw/zinc/26/27/19/812262719.db2.gz WTEOKHHLYBADAG-INIZCTEOSA-N 2 1 297.487 2.155 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CCO1 ZINC001170181920 812326775 /nfs/dbraw/zinc/32/67/75/812326775.db2.gz KPYANCQCTBTARY-HUUCEWRRSA-N 3 1 299.503 2.419 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172807452 815526095 /nfs/dbraw/zinc/52/60/95/815526095.db2.gz NHRLDJFFXRUOGU-GJZGRUSLSA-N 2 1 284.444 2.382 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccccc2OCCO)C1 ZINC001206572867 812387786 /nfs/dbraw/zinc/38/77/86/812387786.db2.gz GJKZTLTYKGSFSR-QGZVFWFLSA-N 2 1 292.423 2.009 20 0 CEADMP CC[C@@H](Cc1ccc2c(c1)OCO2)n1c[nH+]cc1CC[NH3+] ZINC001170406228 812406557 /nfs/dbraw/zinc/40/65/57/812406557.db2.gz UBRBSRCJQDNLNA-ZDUSSCGKSA-N 2 1 287.363 2.307 20 0 CEADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001170418828 812413640 /nfs/dbraw/zinc/41/36/40/812413640.db2.gz BKFFTQUNQSDMGW-TZMCWYRMSA-N 2 1 278.396 2.263 20 0 CEADMP CCOC(=O)C[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254518692 812434969 /nfs/dbraw/zinc/43/49/69/812434969.db2.gz DAPUATJIZFSJPK-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)C[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254518692 812434974 /nfs/dbraw/zinc/43/49/74/812434974.db2.gz DAPUATJIZFSJPK-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)C[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254518692 812434977 /nfs/dbraw/zinc/43/49/77/812434977.db2.gz DAPUATJIZFSJPK-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP CCCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052715400 812450805 /nfs/dbraw/zinc/45/08/05/812450805.db2.gz CJFUQFWSDQKTHP-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001052715400 812450808 /nfs/dbraw/zinc/45/08/08/812450808.db2.gz CJFUQFWSDQKTHP-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001052715400 812450810 /nfs/dbraw/zinc/45/08/10/812450810.db2.gz CJFUQFWSDQKTHP-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001172801199 815532386 /nfs/dbraw/zinc/53/23/86/815532386.db2.gz FUDIRHUKWSRHQV-HUUCEWRRSA-N 2 1 294.439 2.278 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@H](C)CC(C)C ZINC001130425244 812566284 /nfs/dbraw/zinc/56/62/84/812566284.db2.gz PRMVDHRUMOPDBE-CQSZACIVSA-N 2 1 285.476 2.105 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C1 ZINC001172926273 815548254 /nfs/dbraw/zinc/54/82/54/815548254.db2.gz PCWDCTZMWXQHNG-BRWVUGGUSA-N 2 1 296.455 2.035 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C1 ZINC001172926273 815548258 /nfs/dbraw/zinc/54/82/58/815548258.db2.gz PCWDCTZMWXQHNG-BRWVUGGUSA-N 2 1 296.455 2.035 20 0 CEADMP CC(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132111603 812789254 /nfs/dbraw/zinc/78/92/54/812789254.db2.gz UADNGLNFTKYASV-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132111603 812789260 /nfs/dbraw/zinc/78/92/60/812789260.db2.gz UADNGLNFTKYASV-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132111603 812789263 /nfs/dbraw/zinc/78/92/63/812789263.db2.gz UADNGLNFTKYASV-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132249143 812810082 /nfs/dbraw/zinc/81/00/82/812810082.db2.gz MDTPGJCNVGDXNU-JKSUJKDBSA-N 2 1 295.471 2.264 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2CC2)C1 ZINC001132376744 812836007 /nfs/dbraw/zinc/83/60/07/812836007.db2.gz QDRALIYNDYJMQW-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC(C)C)C1 ZINC001132409700 812843732 /nfs/dbraw/zinc/84/37/32/812843732.db2.gz CYTMLKYRKWVJKC-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC(C)C)C1 ZINC001132409700 812843742 /nfs/dbraw/zinc/84/37/42/812843742.db2.gz CYTMLKYRKWVJKC-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC(C)C)C1 ZINC001132409700 812843751 /nfs/dbraw/zinc/84/37/51/812843751.db2.gz CYTMLKYRKWVJKC-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CCC2)C1 ZINC001132410869 812844055 /nfs/dbraw/zinc/84/40/55/812844055.db2.gz PHCDYDCGWFTEKC-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132410869 812844065 /nfs/dbraw/zinc/84/40/65/812844065.db2.gz PHCDYDCGWFTEKC-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCC2)C1 ZINC001132410869 812844075 /nfs/dbraw/zinc/84/40/75/812844075.db2.gz PHCDYDCGWFTEKC-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3nccc(Cl)c23)CC[C@H]1F ZINC001206184687 815563497 /nfs/dbraw/zinc/56/34/97/815563497.db2.gz JQDVISHONLFTDT-NEPJUHHUSA-N 2 1 296.777 2.478 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3nccc(Cl)c23)CC[C@H]1F ZINC001206184687 815563500 /nfs/dbraw/zinc/56/35/00/815563500.db2.gz JQDVISHONLFTDT-NEPJUHHUSA-N 2 1 296.777 2.478 20 0 CEADMP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001086694468 812945604 /nfs/dbraw/zinc/94/56/04/812945604.db2.gz UCYKMUXGOCJBFO-ARFHVFGLSA-N 2 1 295.471 2.144 20 0 CEADMP CCCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132795735 812947653 /nfs/dbraw/zinc/94/76/53/812947653.db2.gz XHBKTGBQEGDTRQ-MRXNPFEDSA-N 2 1 295.471 2.289 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052394235 812986148 /nfs/dbraw/zinc/98/61/48/812986148.db2.gz BXJIRJIOTFXVCR-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001052394235 812986154 /nfs/dbraw/zinc/98/61/54/812986154.db2.gz BXJIRJIOTFXVCR-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001052394235 812986159 /nfs/dbraw/zinc/98/61/59/812986159.db2.gz BXJIRJIOTFXVCR-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133230290 813014074 /nfs/dbraw/zinc/01/40/74/813014074.db2.gz VAYQBSFPKYMSPB-HOTGVXAUSA-N 2 1 297.487 2.203 20 0 CEADMP CCCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133230289 813014191 /nfs/dbraw/zinc/01/41/91/813014191.db2.gz VAYQBSFPKYMSPB-CVEARBPZSA-N 2 1 297.487 2.203 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000388387658 813236296 /nfs/dbraw/zinc/23/62/96/813236296.db2.gz UUWVPSPICGHERJ-INIZCTEOSA-N 2 1 255.365 2.406 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000388387659 813237030 /nfs/dbraw/zinc/23/70/30/813237030.db2.gz UUWVPSPICGHERJ-MRXNPFEDSA-N 2 1 255.365 2.406 20 0 CEADMP [NH3+]CCC1CC[NH+](Cc2ncccc2Br)CC1 ZINC000393835920 813331180 /nfs/dbraw/zinc/33/11/80/813331180.db2.gz BXIFIWIDPYKJFC-UHFFFAOYSA-N 2 1 298.228 2.405 20 0 CEADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(C)C ZINC001135007007 813352455 /nfs/dbraw/zinc/35/24/55/813352455.db2.gz BQBVOPWDNPHSSM-UONOGXRCSA-N 2 1 294.443 2.111 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000394224910 813365647 /nfs/dbraw/zinc/36/56/47/813365647.db2.gz ONDGUTVORRONPL-OAHLLOKOSA-N 2 1 276.424 2.345 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+]CCC(C)(C)C ZINC001135306989 813402663 /nfs/dbraw/zinc/40/26/63/813402663.db2.gz KPCJGPYSTLTRAF-UHFFFAOYSA-N 2 1 294.443 2.114 20 0 CEADMP CC(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477399 813446794 /nfs/dbraw/zinc/44/67/94/813446794.db2.gz UYRBESDUFMGUOE-CABCVRRESA-N 2 1 297.487 2.247 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071930075 813514797 /nfs/dbraw/zinc/51/47/97/813514797.db2.gz BNLFHXVYLRAHER-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC=C(C)C ZINC001135979545 813577207 /nfs/dbraw/zinc/57/72/07/813577207.db2.gz HGAGEDJQTWCZEU-CABCVRRESA-N 2 1 283.460 2.167 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC=C(C)C ZINC001135979548 813578336 /nfs/dbraw/zinc/57/83/36/813578336.db2.gz HGAGEDJQTWCZEU-LSDHHAIUSA-N 2 1 283.460 2.167 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2)CC[C@@H]1C[NH3+] ZINC001246024863 813664215 /nfs/dbraw/zinc/66/42/15/813664215.db2.gz WGYOJRGMCWFBNL-BMFZPTHFSA-N 2 1 262.397 2.027 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001246109620 813702151 /nfs/dbraw/zinc/70/21/51/813702151.db2.gz KIEMWCXEAIJRHI-ZIAGYGMSSA-N 3 1 267.461 2.227 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2cccc(F)c2C1 ZINC001170970138 813708943 /nfs/dbraw/zinc/70/89/43/813708943.db2.gz KPIBTXUBDGUHHE-WCQYABFASA-N 2 1 250.361 2.210 20 0 CEADMP CCOC(=O)C[C@]1([NH2+][C@H]2CCCC(C)(C)C2)CC[NH2+]C1 ZINC001246133943 813710720 /nfs/dbraw/zinc/71/07/20/813710720.db2.gz WWGGDFMOFGOONM-XJKSGUPXSA-N 2 1 282.428 2.230 20 0 CEADMP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@]23C[NH2+]CCO3)C1 ZINC001246159890 813716394 /nfs/dbraw/zinc/71/63/94/813716394.db2.gz LLDMSKPYHODYNN-QKPAOTATSA-N 2 1 266.429 2.456 20 0 CEADMP COc1ccc(C2([NH2+][C@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC001246359371 813800066 /nfs/dbraw/zinc/80/00/66/813800066.db2.gz AFVLEIWNZINMEK-OCCSQVGLSA-N 2 1 260.381 2.414 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001074063006 813800456 /nfs/dbraw/zinc/80/04/56/813800456.db2.gz DNVMVTXGWMVGPX-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001074063006 813800464 /nfs/dbraw/zinc/80/04/64/813800464.db2.gz DNVMVTXGWMVGPX-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001074063006 813800471 /nfs/dbraw/zinc/80/04/71/813800471.db2.gz DNVMVTXGWMVGPX-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246369591 813804585 /nfs/dbraw/zinc/80/45/85/813804585.db2.gz CEZJIHZXIQYJOK-KFWWJZLASA-N 3 1 267.461 2.275 20 0 CEADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@]1(C)CCC[NH2+]1 ZINC001246454603 813829773 /nfs/dbraw/zinc/82/97/73/813829773.db2.gz CXGAKWWMGKXCDS-SWLSCSKDSA-N 2 1 250.361 2.488 20 0 CEADMP CC[C@@]1(C[NH2+][C@H]2Cc3cccc(F)c3C2)CCC[NH2+]1 ZINC001246457833 813832924 /nfs/dbraw/zinc/83/29/24/813832924.db2.gz VMMXWIUCMUKJFF-BBRMVZONSA-N 2 1 262.372 2.415 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000156369800 813840685 /nfs/dbraw/zinc/84/06/85/813840685.db2.gz HHXZWNVXBQRQME-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000156369800 813840692 /nfs/dbraw/zinc/84/06/92/813840692.db2.gz HHXZWNVXBQRQME-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000156369800 813840701 /nfs/dbraw/zinc/84/07/01/813840701.db2.gz HHXZWNVXBQRQME-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC1CCC([N@H+]2CCC[C@](O)(C[NH3+])CC2)CC1 ZINC001246539876 813950334 /nfs/dbraw/zinc/95/03/34/813950334.db2.gz CBEZGYRSUXZVRI-YMAMQOFZSA-N 2 1 254.418 2.131 20 0 CEADMP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]([NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246542487 813957276 /nfs/dbraw/zinc/95/72/76/813957276.db2.gz PPFCPPZMQCMYCM-BYNSBNAKSA-N 3 1 253.434 2.109 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H]([NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246542487 813957280 /nfs/dbraw/zinc/95/72/80/813957280.db2.gz PPFCPPZMQCMYCM-BYNSBNAKSA-N 3 1 253.434 2.109 20 0 CEADMP COc1ccccc1C[C@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246550334 814000702 /nfs/dbraw/zinc/00/07/02/814000702.db2.gz XRSZKCDXTFFGIR-ZFWWWQNUSA-N 2 1 262.397 2.439 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH3+])N(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001246555779 814030270 /nfs/dbraw/zinc/03/02/70/814030270.db2.gz HTKFRIRVKDTVSU-WHWZVRATSA-N 2 1 265.445 2.061 20 0 CEADMP C[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)CC[C@@H]1C[NH3+] ZINC001246562664 814050978 /nfs/dbraw/zinc/05/09/78/814050978.db2.gz VZNAXHZZRKECNQ-WXLSXGNJSA-N 3 1 267.461 2.166 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H](CO)CC1 ZINC001255955726 814059204 /nfs/dbraw/zinc/05/92/04/814059204.db2.gz DAXDILCUDJSNGH-HUUCEWRRSA-N 2 1 256.434 2.201 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246568402 814072565 /nfs/dbraw/zinc/07/25/65/814072565.db2.gz OAMGLSFHNCNTDT-PMPSAXMXSA-N 3 1 269.477 2.414 20 0 CEADMP CCOC(=O)N1CCC[C@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC001246581389 814153633 /nfs/dbraw/zinc/15/36/33/814153633.db2.gz JUFUVJMHDLKMSY-GJZGRUSLSA-N 2 1 297.443 2.058 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001171236060 814206644 /nfs/dbraw/zinc/20/66/44/814206644.db2.gz KTISGKQBHSAXIS-CVEARBPZSA-N 2 1 297.487 2.249 20 0 CEADMP CCCCCC[C@@H](CC)[N@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246625809 814224650 /nfs/dbraw/zinc/22/46/50/814224650.db2.gz HLGBCDCIYHDXKJ-OAHLLOKOSA-N 2 1 295.471 2.289 20 0 CEADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(C)C ZINC001146333088 814274422 /nfs/dbraw/zinc/27/44/22/814274422.db2.gz MAGZFPJWVJJTJR-KGLIPLIRSA-N 2 1 294.443 2.111 20 0 CEADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@H]1CSc3ccccc3C1)C2 ZINC001246853267 814290387 /nfs/dbraw/zinc/29/03/87/814290387.db2.gz LOEXHUTTYJFZDE-NFAWXSAZSA-N 2 1 260.406 2.127 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC(C)(C)C1 ZINC001246858265 814296604 /nfs/dbraw/zinc/29/66/04/814296604.db2.gz DRAYIGUIKBCAET-HHHGZCDHSA-N 2 1 266.429 2.107 20 0 CEADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001146590822 814297609 /nfs/dbraw/zinc/29/76/09/814297609.db2.gz BMJQIFJNNYSRLE-LSDHHAIUSA-N 2 1 297.487 2.390 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCC(C)C ZINC001147358907 814426915 /nfs/dbraw/zinc/42/69/15/814426915.db2.gz INSMFHQWQDRKKD-INIZCTEOSA-N 2 1 297.487 2.393 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)CC ZINC001147359143 814428568 /nfs/dbraw/zinc/42/85/68/814428568.db2.gz MALXWGPRSCQHRI-CVEARBPZSA-N 2 1 297.487 2.393 20 0 CEADMP CC(C)[C@H]1C[C@H]([N@H+](C2CCC2)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246972559 814475591 /nfs/dbraw/zinc/47/55/91/814475591.db2.gz CPVMRHWGFSPYFO-IAGOWNOFSA-N 3 1 279.472 2.370 20 0 CEADMP CC(C)[C@H]1C[C@H]([N@@H+](C2CCC2)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246972559 814475595 /nfs/dbraw/zinc/47/55/95/814475595.db2.gz CPVMRHWGFSPYFO-IAGOWNOFSA-N 3 1 279.472 2.370 20 0 CEADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103443903 814501987 /nfs/dbraw/zinc/50/19/87/814501987.db2.gz QUPIBQFCQJCKHT-OAGGEKHMSA-N 2 1 297.487 2.201 20 0 CEADMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103550368 814509294 /nfs/dbraw/zinc/50/92/94/814509294.db2.gz MKRYCKHYDJFJRI-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111788924 814608210 /nfs/dbraw/zinc/60/82/10/814608210.db2.gz PHYVIQRLNOWEGI-UXLLHSPISA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171336200 814609854 /nfs/dbraw/zinc/60/98/54/814609854.db2.gz FCHDNMXWUPYPSO-SMDDNHRTSA-N 2 1 280.362 2.363 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000693009605 814615634 /nfs/dbraw/zinc/61/56/34/814615634.db2.gz AWTQSYZHAIGERB-AWEZNQCLSA-N 2 1 254.418 2.003 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000694056113 814633385 /nfs/dbraw/zinc/63/33/85/814633385.db2.gz PTNQVNFEEYUGMO-BMFZPTHFSA-N 2 1 259.397 2.229 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171352734 814654839 /nfs/dbraw/zinc/65/48/39/814654839.db2.gz AITRBFASKRXKBN-GXFFZTMASA-N 2 1 268.351 2.349 20 0 CEADMP Cc1ccc(Cl)cc1-c1noc([C@@H]([NH3+])CCC[NH3+])n1 ZINC001247510228 814684737 /nfs/dbraw/zinc/68/47/37/814684737.db2.gz YQJONAFWMUOMET-NSHDSACASA-N 2 1 280.759 2.437 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001173108384 815582445 /nfs/dbraw/zinc/58/24/45/815582445.db2.gz DLJWLESUYPFFQQ-PJPHBNEVSA-N 2 1 266.429 2.218 20 0 CEADMP CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001115544775 814721323 /nfs/dbraw/zinc/72/13/23/814721323.db2.gz AQOKUXHPFZZFKM-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCc3ncncc3C2)CC1 ZINC001173114371 815583967 /nfs/dbraw/zinc/58/39/67/815583967.db2.gz IFWLVWAUUWPEIP-UHFFFAOYSA-N 2 1 288.439 2.488 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](N(C)C(C)=O)C2)CC1 ZINC001173113981 815584323 /nfs/dbraw/zinc/58/43/23/815584323.db2.gz QSKHWXRIJRIHED-OFLPRAFFSA-N 2 1 295.471 2.192 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)O1 ZINC000714380603 814893376 /nfs/dbraw/zinc/89/33/76/814893376.db2.gz JDZIPQMHQRSBEC-YJNKXOJESA-N 2 1 266.429 2.393 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)O1 ZINC000714330445 814894795 /nfs/dbraw/zinc/89/47/95/814894795.db2.gz KSGVFLFYMMJUMJ-LZWOXQAQSA-N 2 1 266.429 2.395 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@H]1COc2cccc(OC)c2C1 ZINC001173149507 815607277 /nfs/dbraw/zinc/60/72/77/815607277.db2.gz UHHOWSGTQQGQRW-CYBMUJFWSA-N 2 1 278.396 2.060 20 0 CEADMP N[C@@H]1CC[N@@H+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001173197125 815617778 /nfs/dbraw/zinc/61/77/78/815617778.db2.gz BZDGGKUKYWFASB-VQCLRJIVSA-N 2 1 260.381 2.410 20 0 CEADMP N[C@@H]1CC[N@H+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001173197125 815617781 /nfs/dbraw/zinc/61/77/81/815617781.db2.gz BZDGGKUKYWFASB-VQCLRJIVSA-N 2 1 260.381 2.410 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001173197125 815617785 /nfs/dbraw/zinc/61/77/85/815617785.db2.gz BZDGGKUKYWFASB-VQCLRJIVSA-N 2 1 260.381 2.410 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001173197125 815617787 /nfs/dbraw/zinc/61/77/87/815617787.db2.gz BZDGGKUKYWFASB-VQCLRJIVSA-N 2 1 260.381 2.410 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cscn3)C2)CC1 ZINC001137597137 815651016 /nfs/dbraw/zinc/65/10/16/815651016.db2.gz PVCAGRSFTPARMP-UHFFFAOYSA-N 2 1 251.399 2.061 20 0 CEADMP CC[C@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C1 ZINC001173280441 815668451 /nfs/dbraw/zinc/66/84/51/815668451.db2.gz PAKYJUNQJVHZOX-LUKYLMHMSA-N 2 1 279.472 2.275 20 0 CEADMP CC[N@H+]1CC[C@H](n2c3ccccc3c3c2C[C@H]([NH3+])C3)C1 ZINC001173354681 815696274 /nfs/dbraw/zinc/69/62/74/815696274.db2.gz IXKPAHRCYOSUBK-OLZOCXBDSA-N 2 1 269.392 2.334 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CCCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001173359831 815700705 /nfs/dbraw/zinc/70/07/05/815700705.db2.gz AXTQOCNFQFIXCC-HZPDHXFCSA-N 2 1 265.445 2.031 20 0 CEADMP CC[N@H+]1CC[C@@H](N(c2ccc(C)cn2)C2CC[NH2+]CC2)C1 ZINC001173374809 815709200 /nfs/dbraw/zinc/70/92/00/815709200.db2.gz OLRTUGQIJJCWQP-MRXNPFEDSA-N 2 1 288.439 2.043 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173479744 815725876 /nfs/dbraw/zinc/72/58/76/815725876.db2.gz MGFDGEIRKWMUQH-QLJPJBMISA-N 2 1 280.362 2.362 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173479744 815725883 /nfs/dbraw/zinc/72/58/83/815725883.db2.gz MGFDGEIRKWMUQH-QLJPJBMISA-N 2 1 280.362 2.362 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001173449972 815734327 /nfs/dbraw/zinc/73/43/27/815734327.db2.gz XALIBSSPUBTFEN-HZSPNIEDSA-N 2 1 270.417 2.038 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001173449972 815734335 /nfs/dbraw/zinc/73/43/35/815734335.db2.gz XALIBSSPUBTFEN-HZSPNIEDSA-N 2 1 270.417 2.038 20 0 CEADMP COC(=O)c1ccc(C[C@@H](C)[N@@H+](CCC[NH3+])C(C)C)cc1 ZINC001173709661 815798528 /nfs/dbraw/zinc/79/85/28/815798528.db2.gz PTLVVWNAQLYROR-CQSZACIVSA-N 2 1 292.423 2.463 20 0 CEADMP CCC[N@@H+](CCOC)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138768823 815892021 /nfs/dbraw/zinc/89/20/21/815892021.db2.gz CQNKYAUHEIOWHA-UHFFFAOYSA-N 2 1 294.439 2.485 20 0 CEADMP O[C@@H]1CCCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC001139356460 816010332 /nfs/dbraw/zinc/01/03/32/816010332.db2.gz MEZPCJBHMNREQZ-MRXNPFEDSA-N 2 1 271.364 2.219 20 0 CEADMP C[NH+]1CC2(C1)CC[NH+](Cc1cn3c(cccc3F)n1)CC2 ZINC001139574468 816054964 /nfs/dbraw/zinc/05/49/64/816054964.db2.gz TTYHXVOLPHOSOG-UHFFFAOYSA-N 2 1 288.370 2.001 20 0 CEADMP Cn1ncc2cc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)ccc21 ZINC001139952290 816148896 /nfs/dbraw/zinc/14/88/96/816148896.db2.gz GFMDJHMEPVUXPK-QGZVFWFLSA-N 2 1 284.407 2.101 20 0 CEADMP Cn1ncc2cc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)ccc21 ZINC001139952290 816148897 /nfs/dbraw/zinc/14/88/97/816148897.db2.gz GFMDJHMEPVUXPK-QGZVFWFLSA-N 2 1 284.407 2.101 20 0 CEADMP Cn1ncc2cc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)ccc21 ZINC001139952290 816148899 /nfs/dbraw/zinc/14/88/99/816148899.db2.gz GFMDJHMEPVUXPK-QGZVFWFLSA-N 2 1 284.407 2.101 20 0 CEADMP Cn1ncc2cc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)ccc21 ZINC001139952290 816148901 /nfs/dbraw/zinc/14/89/01/816148901.db2.gz GFMDJHMEPVUXPK-QGZVFWFLSA-N 2 1 284.407 2.101 20 0 CEADMP CN(Cc1ccnnc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139983871 816156966 /nfs/dbraw/zinc/15/69/66/816156966.db2.gz OADLSZDOMNHRTQ-SFHVURJKSA-N 2 1 296.418 2.431 20 0 CEADMP C[N@H+](Cc1cc(O)ccc1F)CC1CC[NH+](C)CC1 ZINC001140048739 816175065 /nfs/dbraw/zinc/17/50/65/816175065.db2.gz NIFGRFNOMVOCII-UHFFFAOYSA-N 2 1 266.360 2.305 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4n[nH]cc4c3)C[C@@H]2C1 ZINC001140388715 816248958 /nfs/dbraw/zinc/24/89/58/816248958.db2.gz DCHSOXIERBVWDL-HOTGVXAUSA-N 2 1 284.407 2.337 20 0 CEADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1O ZINC001140579560 816289520 /nfs/dbraw/zinc/28/95/20/816289520.db2.gz YCGWTRNKOACSMW-UHFFFAOYSA-N 2 1 262.397 2.474 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176033540 816331481 /nfs/dbraw/zinc/33/14/81/816331481.db2.gz RMZOMXLJBAGVTH-AWEZNQCLSA-N 2 1 271.449 2.003 20 0 CEADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176166561 816358920 /nfs/dbraw/zinc/35/89/20/816358920.db2.gz SEILWLHJQOORHW-HOTGVXAUSA-N 2 1 297.487 2.393 20 0 CEADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176166564 816359419 /nfs/dbraw/zinc/35/94/19/816359419.db2.gz SEILWLHJQOORHW-HZPDHXFCSA-N 2 1 297.487 2.393 20 0 CEADMP CN(CC[NH+]1CCCC1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805015 816362608 /nfs/dbraw/zinc/36/26/08/816362608.db2.gz OKPSRFWWDCQIGK-UHFFFAOYSA-N 2 1 258.369 2.091 20 0 CEADMP C[N@H+](Cc1c[nH]c2ccncc12)CC1CC[NH+](C)CC1 ZINC001140803220 816363259 /nfs/dbraw/zinc/36/32/59/816363259.db2.gz LUHJDNLZNSQWCM-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP C[N@@H+](Cc1cnc2cc[nH]cc1-2)CC1CC[NH+](C)CC1 ZINC001140803220 816363266 /nfs/dbraw/zinc/36/32/66/816363266.db2.gz LUHJDNLZNSQWCM-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP C[N@H+](Cc1cnc2cc[nH]cc1-2)CC1CC[NH+](C)CC1 ZINC001140803220 816363274 /nfs/dbraw/zinc/36/32/74/816363274.db2.gz LUHJDNLZNSQWCM-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)CC1CC[NH+](C)CC1 ZINC001140803220 816363281 /nfs/dbraw/zinc/36/32/81/816363281.db2.gz LUHJDNLZNSQWCM-UHFFFAOYSA-N 3 1 272.396 2.337 20 0 CEADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)CC1CC[NH+](C)CC1 ZINC001140803220 816363288 /nfs/dbraw/zinc/36/32/88/816363288.db2.gz LUHJDNLZNSQWCM-UHFFFAOYSA-N 3 1 272.396 2.337 20 0 CEADMP CC[NH+](CC)[C@H]1CCN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140804764 816364237 /nfs/dbraw/zinc/36/42/37/816364237.db2.gz DIOLMRMXEMKPMV-AWEZNQCLSA-N 2 1 272.396 2.479 20 0 CEADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176165412 816367459 /nfs/dbraw/zinc/36/74/59/816367459.db2.gz KTSZKEJULBFTBS-CABCVRRESA-N 2 1 283.460 2.003 20 0 CEADMP CCC[NH+]1CCN(Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140807058 816367544 /nfs/dbraw/zinc/36/75/44/816367544.db2.gz JUJARZDOESCOEP-UHFFFAOYSA-N 2 1 258.369 2.091 20 0 CEADMP C[N@@H+]1C[C@@H]2CCCN(Cc3cnc4cc[nH]cc3-4)[C@@H]2C1 ZINC001140807134 816370395 /nfs/dbraw/zinc/37/03/95/816370395.db2.gz NLHGCDASHICHBU-BLLLJJGKSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@H+]1C[C@@H]2CCCN(Cc3cnc4cc[nH]cc3-4)[C@@H]2C1 ZINC001140807134 816370400 /nfs/dbraw/zinc/37/04/00/816370400.db2.gz NLHGCDASHICHBU-BLLLJJGKSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@@H+]1C[C@@H]2CCCN(Cc3c[nH]c4cc[nH+]cc34)[C@@H]2C1 ZINC001140807134 816370408 /nfs/dbraw/zinc/37/04/08/816370408.db2.gz NLHGCDASHICHBU-BLLLJJGKSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@H+]1C[C@@H]2CCCN(Cc3c[nH]c4cc[nH+]cc34)[C@@H]2C1 ZINC001140807134 816370416 /nfs/dbraw/zinc/37/04/16/816370416.db2.gz NLHGCDASHICHBU-BLLLJJGKSA-N 2 1 270.380 2.089 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3c(N)cccc3F)C2)CC1 ZINC001140877436 816395868 /nfs/dbraw/zinc/39/58/68/816395868.db2.gz ONSAEJZPJNYLPB-UHFFFAOYSA-N 2 1 277.387 2.326 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OC)c(N)c3)C[C@H]2C1 ZINC001140902051 816406500 /nfs/dbraw/zinc/40/65/00/816406500.db2.gz SVUUHAQBTSTTDI-HUUCEWRRSA-N 2 1 289.423 2.051 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176760389 816474878 /nfs/dbraw/zinc/47/48/78/816474878.db2.gz WKYWBLYAQJDVMA-LSDHHAIUSA-N 2 1 283.460 2.145 20 0 CEADMP COc1ccsc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001141318429 816521134 /nfs/dbraw/zinc/52/11/34/816521134.db2.gz IFCNKWGQAYDPCB-UHFFFAOYSA-N 2 1 289.404 2.474 20 0 CEADMP Cc1ncc(CC[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000838978855 816560806 /nfs/dbraw/zinc/56/08/06/816560806.db2.gz FQIVFIZNKFFOAQ-UHFFFAOYSA-N 2 1 265.426 2.210 20 0 CEADMP CCC[N@@H+](C)CC(=O)N(CCC[NH2+]CC)CC1CCCC1 ZINC001177466977 816562277 /nfs/dbraw/zinc/56/22/77/816562277.db2.gz NYRWIZPYKILAGQ-UHFFFAOYSA-N 2 1 297.487 2.347 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cccn4ccnc34)C[C@@H]2C1 ZINC001142960257 816763053 /nfs/dbraw/zinc/76/30/53/816763053.db2.gz MEJINUMHZPDGCR-HOTGVXAUSA-N 2 1 284.407 2.108 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]C(C)C ZINC001178854189 816804206 /nfs/dbraw/zinc/80/42/06/816804206.db2.gz XTPPQNQUIWZNBW-UHFFFAOYSA-N 2 1 285.476 2.391 20 0 CEADMP C[N@H+](Cc1cc2cccnc2[nH]1)CC1CC[NH+](C)CC1 ZINC001143220770 816813517 /nfs/dbraw/zinc/81/35/17/816813517.db2.gz RNKPKWLEEZFQOZ-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179587116 816880951 /nfs/dbraw/zinc/88/09/51/816880951.db2.gz WGVGKJNSKAAIBV-HNNXBMFYSA-N 2 1 283.460 2.004 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000337438422 214083529 /nfs/dbraw/zinc/08/35/29/214083529.db2.gz DYKHLVUKOWKHEE-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CCn1nnc(C)c1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000449081948 282092749 /nfs/dbraw/zinc/09/27/49/282092749.db2.gz JDQAKTJOTHDGDD-CQSZACIVSA-N 2 1 293.459 2.208 20 0 CEADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)C1CC1 ZINC000449087316 282094842 /nfs/dbraw/zinc/09/48/42/282094842.db2.gz FVYFCWPTBBQXQC-KGLIPLIRSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000121300853 365548715 /nfs/dbraw/zinc/54/87/15/365548715.db2.gz KALAZFXLWJPOBA-QXSJWSMHSA-N 2 1 278.440 2.266 20 0 CEADMP CC1CC[NH+](CCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000127774161 187331873 /nfs/dbraw/zinc/33/18/73/187331873.db2.gz FSPAQPLLFYQYCY-IAGOWNOFSA-N 2 1 279.472 2.325 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)o1 ZINC000567639962 299070028 /nfs/dbraw/zinc/07/00/28/299070028.db2.gz NJWNYKKXNQMWQJ-BFHYXJOUSA-N 2 1 263.385 2.247 20 0 CEADMP c1ccc2c(c1)CC([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000037648892 361917517 /nfs/dbraw/zinc/91/75/17/361917517.db2.gz YTIMZLYWWYKFHL-CYBMUJFWSA-N 2 1 256.393 2.228 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc2c[nH]nc21 ZINC000337949599 214327986 /nfs/dbraw/zinc/32/79/86/214327986.db2.gz MTWRQGHPSRUBRU-UHFFFAOYSA-N 2 1 269.352 2.248 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621642249 349650216 /nfs/dbraw/zinc/65/02/16/349650216.db2.gz IYHDVYWEKCPSJQ-JKSUJKDBSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@H](C)O1 ZINC000449298013 282177339 /nfs/dbraw/zinc/17/73/39/282177339.db2.gz ILLJJDZAGAPPPJ-ANLGBYQQSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H](CC(C)(C)C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000449300726 282178739 /nfs/dbraw/zinc/17/87/39/282178739.db2.gz FGTLNYWCIHNYTL-CQSZACIVSA-N 2 1 269.477 2.427 20 0 CEADMP Cc1nccnc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000621719798 349676120 /nfs/dbraw/zinc/67/61/20/349676120.db2.gz WSSXSKZXRBPYDU-YOEHRIQHSA-N 2 1 286.423 2.234 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC(C)(C)O1 ZINC000123953811 539179792 /nfs/dbraw/zinc/17/97/92/539179792.db2.gz ABNRAQUBDGHWTP-CYBMUJFWSA-N 2 1 274.408 2.332 20 0 CEADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CC1CN(C)C1 ZINC000668537228 539192184 /nfs/dbraw/zinc/19/21/84/539192184.db2.gz BTNPBZLWEOFENZ-UHFFFAOYSA-N 2 1 298.434 2.483 20 0 CEADMP CCCOc1ccc(C[N@@H+](C)CC2CN(C)C2)cc1 ZINC000668537268 539192427 /nfs/dbraw/zinc/19/24/27/539192427.db2.gz DBPDBZXXMKIWKA-UHFFFAOYSA-N 2 1 262.397 2.469 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCN(C)c2ccccc2)CC[N@H+]1C ZINC000125866827 187203252 /nfs/dbraw/zinc/20/32/52/187203252.db2.gz RNCYNAROVPVWBF-GJZGRUSLSA-N 2 1 261.413 2.195 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000621784476 349702008 /nfs/dbraw/zinc/70/20/08/349702008.db2.gz PNFMFXWZJYZANB-WBVHZDCISA-N 2 1 282.391 2.186 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000621784476 349702013 /nfs/dbraw/zinc/70/20/13/349702013.db2.gz PNFMFXWZJYZANB-WBVHZDCISA-N 2 1 282.391 2.186 20 0 CEADMP CC[C@@H](CSC)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352741770 529531854 /nfs/dbraw/zinc/53/18/54/529531854.db2.gz INNDMGIPIUIXGF-JTQLQIEISA-N 2 1 273.471 2.436 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCCC2)[C@H](C)C1 ZINC000449345262 282194682 /nfs/dbraw/zinc/19/46/82/282194682.db2.gz HLPZCZFMXYEGGW-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CC[C@@H]4COC[C@@H]4C3)n21 ZINC000668706587 539242493 /nfs/dbraw/zinc/24/24/93/539242493.db2.gz SXQUXBXJWPJQQE-KGLIPLIRSA-N 2 1 271.364 2.111 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CC[C@@H]4COC[C@H]4C3)n21 ZINC000668706589 539242581 /nfs/dbraw/zinc/24/25/81/539242581.db2.gz SXQUXBXJWPJQQE-ZIAGYGMSSA-N 2 1 271.364 2.111 20 0 CEADMP CC1CC(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000622017530 349772150 /nfs/dbraw/zinc/77/21/50/349772150.db2.gz VFXPNPWMZPOGHA-PREGVCBESA-N 2 1 276.424 2.115 20 0 CEADMP CC1CC(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000622017530 349772155 /nfs/dbraw/zinc/77/21/55/349772155.db2.gz VFXPNPWMZPOGHA-PREGVCBESA-N 2 1 276.424 2.115 20 0 CEADMP C[NH+](C)CCN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749379 539266729 /nfs/dbraw/zinc/26/67/29/539266729.db2.gz ZMSVEGIQOTVXBS-INIZCTEOSA-N 2 1 275.440 2.191 20 0 CEADMP C[NH+](C)CCN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749379 539266731 /nfs/dbraw/zinc/26/67/31/539266731.db2.gz ZMSVEGIQOTVXBS-INIZCTEOSA-N 2 1 275.440 2.191 20 0 CEADMP CO[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC[C@H]1C ZINC000300007868 539277463 /nfs/dbraw/zinc/27/74/63/539277463.db2.gz MZVTVSJMXAVRAU-DYVFJYSZSA-N 2 1 274.408 2.189 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCCO1 ZINC000311244311 539282723 /nfs/dbraw/zinc/28/27/23/539282723.db2.gz ZKEHFACXTGQRMU-VAQLIOGMSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCCO1 ZINC000311244311 539282724 /nfs/dbraw/zinc/28/27/24/539282724.db2.gz ZKEHFACXTGQRMU-VAQLIOGMSA-N 2 1 252.402 2.159 20 0 CEADMP Cc1cc(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)n1C ZINC000042395415 362091354 /nfs/dbraw/zinc/09/13/54/362091354.db2.gz XBCFXAWTEWFCQR-UHFFFAOYSA-N 2 1 291.439 2.098 20 0 CEADMP Cc1cc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)nc(C)[nH+]1 ZINC000436450117 539302409 /nfs/dbraw/zinc/30/24/09/539302409.db2.gz HCANEHUGKKFULG-OAHLLOKOSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1cc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)nc(C)[nH+]1 ZINC000436450117 539302412 /nfs/dbraw/zinc/30/24/12/539302412.db2.gz HCANEHUGKKFULG-OAHLLOKOSA-N 2 1 274.412 2.262 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCCc2ncccc2C)CC1 ZINC000449483101 282254357 /nfs/dbraw/zinc/25/43/57/282254357.db2.gz GHCFEJMAOIYBFQ-UHFFFAOYSA-N 2 1 291.439 2.023 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CF)CCOCC2)[C@H](C)C1 ZINC000449489372 282256271 /nfs/dbraw/zinc/25/62/71/282256271.db2.gz RBPYCHRVZZKTHK-ZIAGYGMSSA-N 2 1 272.408 2.073 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449510716 282264607 /nfs/dbraw/zinc/26/46/07/282264607.db2.gz LVWFSQXYIMJSKK-FPCVCCKLSA-N 2 1 294.439 2.325 20 0 CEADMP COCC(COC)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449534467 282275785 /nfs/dbraw/zinc/27/57/85/282275785.db2.gz CIEXFSLBEXSYPE-PBHICJAKSA-N 2 1 298.471 2.281 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(C)no2)CC1 ZINC000052209863 343558635 /nfs/dbraw/zinc/55/86/35/343558635.db2.gz GARRBBKXJZVGSQ-UHFFFAOYSA-N 2 1 280.416 2.322 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(C)no2)CC1 ZINC000052209863 343558637 /nfs/dbraw/zinc/55/86/37/343558637.db2.gz GARRBBKXJZVGSQ-UHFFFAOYSA-N 2 1 280.416 2.322 20 0 CEADMP CCOc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000449557745 282282322 /nfs/dbraw/zinc/28/23/22/282282322.db2.gz STHZDGADPCINSL-GOOCMWNKSA-N 2 1 275.396 2.195 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCCOC1 ZINC000336711369 365775131 /nfs/dbraw/zinc/77/51/31/365775131.db2.gz NIHBRGJBJZHQID-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCCOC1 ZINC000336711369 365775135 /nfs/dbraw/zinc/77/51/35/365775135.db2.gz NIHBRGJBJZHQID-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCCOC1 ZINC000336711369 365775137 /nfs/dbraw/zinc/77/51/37/365775137.db2.gz NIHBRGJBJZHQID-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CSCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336712060 365776348 /nfs/dbraw/zinc/77/63/48/365776348.db2.gz SNPHNHGKISJXRZ-UHFFFAOYSA-N 2 1 259.444 2.047 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000414361260 529756615 /nfs/dbraw/zinc/75/66/15/529756615.db2.gz HUZKALGHTIAHGS-ZIAGYGMSSA-N 2 1 262.401 2.001 20 0 CEADMP Cc1cc(C)n(CC[N@@H+](C)C2CC[NH+](C(C)C)CC2)n1 ZINC000068817766 343774464 /nfs/dbraw/zinc/77/44/64/343774464.db2.gz SFWSJZPLELONIU-UHFFFAOYSA-N 2 1 278.444 2.305 20 0 CEADMP Cc1cc(C)n(CC[N@H+](C)C2CC[NH+](C(C)C)CC2)n1 ZINC000068817766 343774466 /nfs/dbraw/zinc/77/44/66/343774466.db2.gz SFWSJZPLELONIU-UHFFFAOYSA-N 2 1 278.444 2.305 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccncc2)C[C@H]1C ZINC000351518189 219112895 /nfs/dbraw/zinc/11/28/95/219112895.db2.gz LRTWZRWLZXQLFX-ZBFHGGJFSA-N 2 1 261.413 2.429 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccncc2)C[C@H]1C ZINC000351518189 219112896 /nfs/dbraw/zinc/11/28/96/219112896.db2.gz LRTWZRWLZXQLFX-ZBFHGGJFSA-N 2 1 261.413 2.429 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccncc2)C[C@H]1C ZINC000351518189 219112898 /nfs/dbraw/zinc/11/28/98/219112898.db2.gz LRTWZRWLZXQLFX-ZBFHGGJFSA-N 2 1 261.413 2.429 20 0 CEADMP CCC[C@H](C)[C@@H](CC)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128112250 187352374 /nfs/dbraw/zinc/35/23/74/187352374.db2.gz ULEAVDPORSYUTP-HRCADAONSA-N 2 1 297.487 2.378 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)N2CCC[C@H]2C)CC1 ZINC000075681795 343862334 /nfs/dbraw/zinc/86/23/34/343862334.db2.gz JUDZRRJZGRVKEP-OAHLLOKOSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC(C)(C)CC2)CC1 ZINC000127032745 187277768 /nfs/dbraw/zinc/27/77/68/187277768.db2.gz XZCBVVVDQXKTOI-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCCO2)C1 ZINC000081533336 344056039 /nfs/dbraw/zinc/05/60/39/344056039.db2.gz OVIANKHOZDWJPR-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000081533336 344056041 /nfs/dbraw/zinc/05/60/41/344056041.db2.gz OVIANKHOZDWJPR-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000081533336 344056044 /nfs/dbraw/zinc/05/60/44/344056044.db2.gz OVIANKHOZDWJPR-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000084021652 344080811 /nfs/dbraw/zinc/08/08/11/344080811.db2.gz VKSMSGQJAAPDME-GFCCVEGCSA-N 2 1 283.379 2.494 20 0 CEADMP COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000093298421 344218992 /nfs/dbraw/zinc/21/89/92/344218992.db2.gz KLEGWXWDIZLRDQ-CQSZACIVSA-N 2 1 293.411 2.103 20 0 CEADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000093298421 344218993 /nfs/dbraw/zinc/21/89/93/344218993.db2.gz KLEGWXWDIZLRDQ-CQSZACIVSA-N 2 1 293.411 2.103 20 0 CEADMP C[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000092457093 344189925 /nfs/dbraw/zinc/18/99/25/344189925.db2.gz OUBZOONRFXYOAX-MRXNPFEDSA-N 2 1 289.467 2.438 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)CC1CCCC1 ZINC000300072153 260211148 /nfs/dbraw/zinc/21/11/48/260211148.db2.gz KBDGFMUSIPTSHJ-HRCADAONSA-N 2 1 266.429 2.144 20 0 CEADMP COc1cc(C[NH2+][C@H](C)CC[NH+](C)C)cc(OC)c1 ZINC000049553534 362371763 /nfs/dbraw/zinc/37/17/63/362371763.db2.gz VAOGECDUXQSMDB-GFCCVEGCSA-N 2 1 266.385 2.134 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2c(F)cccc2F)CC1 ZINC000105476990 344256654 /nfs/dbraw/zinc/25/66/54/344256654.db2.gz QJKKDTRDKXDXAC-UHFFFAOYSA-N 2 1 297.393 2.082 20 0 CEADMP COc1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)cn1 ZINC000230007181 344569793 /nfs/dbraw/zinc/56/97/93/344569793.db2.gz GOQHBOLSGNBKSD-UHFFFAOYSA-N 2 1 285.391 2.441 20 0 CEADMP COc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cn1 ZINC000230007181 344569796 /nfs/dbraw/zinc/56/97/96/344569796.db2.gz GOQHBOLSGNBKSD-UHFFFAOYSA-N 2 1 285.391 2.441 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000050248969 362412894 /nfs/dbraw/zinc/41/28/94/362412894.db2.gz RTRNCARZEJPDJB-LLVKDONJSA-N 2 1 292.408 2.011 20 0 CEADMP COC[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000053172164 362485492 /nfs/dbraw/zinc/48/54/92/362485492.db2.gz JTSSDSRWRGEVMT-CQSZACIVSA-N 2 1 250.386 2.133 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCCC1CCOCC1 ZINC000302301735 344703303 /nfs/dbraw/zinc/70/33/03/344703303.db2.gz ZSMDRMXTRXTGNR-HIFRSBDPSA-N 2 1 254.418 2.395 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H](C)O1 ZINC000568050831 299113666 /nfs/dbraw/zinc/11/36/66/299113666.db2.gz IDIPSDSVKSJEKT-CXAGYDPISA-N 2 1 274.408 2.332 20 0 CEADMP C1CC1[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CO1 ZINC000668095422 539413461 /nfs/dbraw/zinc/41/34/61/539413461.db2.gz IVYYJSQSYIQEEU-GRAKBVBRSA-N 2 1 264.413 2.160 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000401766896 344869790 /nfs/dbraw/zinc/86/97/90/344869790.db2.gz YWUNHLKXAKNIFY-CYBMUJFWSA-N 2 1 271.364 2.119 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000584593943 344960460 /nfs/dbraw/zinc/96/04/60/344960460.db2.gz PGKCSEBAZVQLQA-LBPRGKRZSA-N 2 1 288.370 2.387 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000584593943 344960463 /nfs/dbraw/zinc/96/04/63/344960463.db2.gz PGKCSEBAZVQLQA-LBPRGKRZSA-N 2 1 288.370 2.387 20 0 CEADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000591272395 345236803 /nfs/dbraw/zinc/23/68/03/345236803.db2.gz HKVKARABDDMYFQ-RBSFLKMASA-N 2 1 296.455 2.286 20 0 CEADMP c1[nH]nc2c1cccc2C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597404 232184059 /nfs/dbraw/zinc/18/40/59/232184059.db2.gz OJQQXJVVMHQVDG-CQSZACIVSA-N 2 1 284.407 2.481 20 0 CEADMP COC(=O)c1coc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000593317714 345466137 /nfs/dbraw/zinc/46/61/37/345466137.db2.gz VMVNNEYQDFUBDX-RISCZKNCSA-N 2 1 280.368 2.016 20 0 CEADMP COC(=O)c1coc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000593317714 345466139 /nfs/dbraw/zinc/46/61/39/345466139.db2.gz VMVNNEYQDFUBDX-RISCZKNCSA-N 2 1 280.368 2.016 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000593730813 345528663 /nfs/dbraw/zinc/52/86/63/345528663.db2.gz HKAOSDSYSKPSQE-YPMHNXCESA-N 2 1 296.436 2.484 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000593730813 345528664 /nfs/dbraw/zinc/52/86/64/345528664.db2.gz HKAOSDSYSKPSQE-YPMHNXCESA-N 2 1 296.436 2.484 20 0 CEADMP CCOC(=O)CC[N@H+](CCCn1cc[nH+]c1C)C(C)C ZINC000594053670 345574631 /nfs/dbraw/zinc/57/46/31/345574631.db2.gz NEUYROUONJEDPV-UHFFFAOYSA-N 2 1 281.400 2.245 20 0 CEADMP CCOC(=O)CC[N@@H+](CCCn1cc[nH+]c1C)C(C)C ZINC000594053670 345574634 /nfs/dbraw/zinc/57/46/34/345574634.db2.gz NEUYROUONJEDPV-UHFFFAOYSA-N 2 1 281.400 2.245 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000594915734 345700829 /nfs/dbraw/zinc/70/08/29/345700829.db2.gz BSHQQVXNEMROKX-MGPQQGTHSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000594917072 345700936 /nfs/dbraw/zinc/70/09/36/345700936.db2.gz GTXHJGQIFDGPNG-YTQIUSBHSA-N 2 1 296.455 2.140 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CSCCF ZINC000595003392 345724629 /nfs/dbraw/zinc/72/46/29/345724629.db2.gz FJAVVNLMPYWPIM-GFCCVEGCSA-N 2 1 250.427 2.398 20 0 CEADMP C[C@H](CSCCF)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000595052586 345735417 /nfs/dbraw/zinc/73/54/17/345735417.db2.gz SCCOVRHCZIDRRW-CHWSQXEVSA-N 2 1 262.438 2.399 20 0 CEADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000595428756 345780506 /nfs/dbraw/zinc/78/05/06/345780506.db2.gz KCMIXMCGSCWNBZ-XQLPTFJDSA-N 2 1 284.444 2.142 20 0 CEADMP CCC[C@@H](C(=O)OCC)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507423 345798252 /nfs/dbraw/zinc/79/82/52/345798252.db2.gz MWGIIFJBCAKDCL-GOEBONIOSA-N 2 1 282.428 2.136 20 0 CEADMP CCC[C@H](C(=O)OCC)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507422 345798486 /nfs/dbraw/zinc/79/84/86/345798486.db2.gz MWGIIFJBCAKDCL-GDBMZVCRSA-N 2 1 282.428 2.136 20 0 CEADMP CCc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000247127092 539491389 /nfs/dbraw/zinc/49/13/89/539491389.db2.gz QARJPBMFUDPIKY-NWDGAFQWSA-N 2 1 267.442 2.320 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)C(C)(C)C)CC1 ZINC000336788831 365809284 /nfs/dbraw/zinc/80/92/84/365809284.db2.gz RBQPWNSGPHVSHT-AWEZNQCLSA-N 2 1 256.434 2.200 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000128903756 365809289 /nfs/dbraw/zinc/80/92/89/365809289.db2.gz JOEDKWMPPPKOLH-KFWWJZLASA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H](O)C[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000336790866 365812417 /nfs/dbraw/zinc/81/24/17/365812417.db2.gz YMWUZRAYUHEFOM-ZNMIVQPWSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](O)C[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000336790866 365812419 /nfs/dbraw/zinc/81/24/19/365812419.db2.gz YMWUZRAYUHEFOM-ZNMIVQPWSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](O)C[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000336790866 365812421 /nfs/dbraw/zinc/81/24/21/365812421.db2.gz YMWUZRAYUHEFOM-ZNMIVQPWSA-N 2 1 254.418 2.096 20 0 CEADMP C(C1CCCC1)[N@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000459435219 290148289 /nfs/dbraw/zinc/14/82/89/290148289.db2.gz WZLBVIZBURKUBF-KRWDZBQOSA-N 2 1 291.483 2.467 20 0 CEADMP CC(C)[NH+]1CCC(N(C)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000336801000 365830866 /nfs/dbraw/zinc/83/08/66/365830866.db2.gz OMYYXLMLSZSBQG-OAHLLOKOSA-N 3 1 267.461 2.275 20 0 CEADMP COC(=O)CCCCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600161362 346609893 /nfs/dbraw/zinc/60/98/93/346609893.db2.gz LPHOMDFMVYCILF-ZDUSSCGKSA-N 2 1 270.417 2.182 20 0 CEADMP CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000129346429 365848895 /nfs/dbraw/zinc/84/88/95/365848895.db2.gz TVFUZENPRCVFGP-SOUVJXGZSA-N 2 1 293.411 2.498 20 0 CEADMP CCC[C@@H](C(=O)OCC)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000129346429 365848901 /nfs/dbraw/zinc/84/89/01/365848901.db2.gz TVFUZENPRCVFGP-SOUVJXGZSA-N 2 1 293.411 2.498 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000600964100 346721225 /nfs/dbraw/zinc/72/12/25/346721225.db2.gz UTXQSIPKDTUOPD-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP C[N@H+]1CCCC[C@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000601026206 346735062 /nfs/dbraw/zinc/73/50/62/346735062.db2.gz FROAYYIRVRKFMY-INIZCTEOSA-N 2 1 295.471 2.243 20 0 CEADMP CCC(CC)Nc1cc[nH+]cc1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000568291954 299136238 /nfs/dbraw/zinc/13/62/38/299136238.db2.gz ZCOLYQSGQCHACH-HNNXBMFYSA-N 2 1 290.411 2.137 20 0 CEADMP CCC(CC)Nc1cc[nH+]cc1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000568291954 299136241 /nfs/dbraw/zinc/13/62/41/299136241.db2.gz ZCOLYQSGQCHACH-HNNXBMFYSA-N 2 1 290.411 2.137 20 0 CEADMP COC(=O)c1csc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000602687961 347147553 /nfs/dbraw/zinc/14/75/53/347147553.db2.gz SDRJAJNZFAPAKA-GFCCVEGCSA-N 2 1 296.436 2.356 20 0 CEADMP Cc1cc(N2CCC(C[NH+]3CCCC3)CC2)nc(C)[nH+]1 ZINC000301123631 136696645 /nfs/dbraw/zinc/69/66/45/136696645.db2.gz YTNMKALLQFCRRS-UHFFFAOYSA-N 2 1 274.412 2.406 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000527930731 313215904 /nfs/dbraw/zinc/21/59/04/313215904.db2.gz SQINEQHVUJPDNX-KBXIAJHMSA-N 2 1 254.418 2.121 20 0 CEADMP CSC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000602923695 347248792 /nfs/dbraw/zinc/24/87/92/347248792.db2.gz VAMKTMUOQZOEHK-UHFFFAOYSA-N 2 1 253.415 2.409 20 0 CEADMP COC(=O)C12CCC(CC1)[N@@H+]2CCCCn1cc[nH+]c1C ZINC000602986017 347268096 /nfs/dbraw/zinc/26/80/96/347268096.db2.gz RAESSKWRETXUHV-UHFFFAOYSA-N 2 1 291.395 2.142 20 0 CEADMP COC(=O)C12CCC(CC1)[N@H+]2CCCCn1cc[nH+]c1C ZINC000602986017 347268099 /nfs/dbraw/zinc/26/80/99/347268099.db2.gz RAESSKWRETXUHV-UHFFFAOYSA-N 2 1 291.395 2.142 20 0 CEADMP Cc1noc(CCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)n1 ZINC000336823767 365878733 /nfs/dbraw/zinc/87/87/33/365878733.db2.gz RDWZSOTYIJDFEQ-AWEZNQCLSA-N 2 1 280.416 2.117 20 0 CEADMP Cc1noc(CCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000336823767 365878737 /nfs/dbraw/zinc/87/87/37/365878737.db2.gz RDWZSOTYIJDFEQ-AWEZNQCLSA-N 2 1 280.416 2.117 20 0 CEADMP Cc1noc(CCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000336823767 365878741 /nfs/dbraw/zinc/87/87/41/365878741.db2.gz RDWZSOTYIJDFEQ-AWEZNQCLSA-N 2 1 280.416 2.117 20 0 CEADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)CC(C)C ZINC000606371346 347467792 /nfs/dbraw/zinc/46/77/92/347467792.db2.gz NEOAZKQAHIPVAN-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000336825835 365887848 /nfs/dbraw/zinc/88/78/48/365887848.db2.gz ZWWRPAQYEVNOSL-OAHLLOKOSA-N 2 1 277.412 2.101 20 0 CEADMP Fc1ccc(OCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000336830591 365895378 /nfs/dbraw/zinc/89/53/78/365895378.db2.gz GXHMSSBZWPBUKG-CJNGLKHVSA-N 2 1 278.371 2.278 20 0 CEADMP C[C@@H](F)CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000351843749 219224098 /nfs/dbraw/zinc/22/40/98/219224098.db2.gz HJYFAOXYSHXQBG-OAGGEKHMSA-N 2 1 285.451 2.225 20 0 CEADMP COC(=O)c1oc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1C ZINC000610001398 347657338 /nfs/dbraw/zinc/65/73/38/347657338.db2.gz BWDGHCQXMWMFDJ-UHFFFAOYSA-N 2 1 294.395 2.148 20 0 CEADMP COC1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000129997798 365914744 /nfs/dbraw/zinc/91/47/44/365914744.db2.gz ABKRXXOHJJSINC-OPFPJEHXSA-N 2 1 252.402 2.018 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000351860178 219228618 /nfs/dbraw/zinc/22/86/18/219228618.db2.gz HTDDYNMMGMTXRG-UKRRQHHQSA-N 2 1 262.397 2.297 20 0 CEADMP c1cnn(-c2cccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2)c1 ZINC000334428168 539592497 /nfs/dbraw/zinc/59/24/97/539592497.db2.gz HVFXJDRHSWAIIS-GOSISDBHSA-N 2 1 296.418 2.448 20 0 CEADMP C[NH+](C)Cc1ccc(-c2noc([C@H]([NH3+])CC(F)F)n2)cc1 ZINC000339357766 215119806 /nfs/dbraw/zinc/11/98/06/215119806.db2.gz LZZSMDOYZLAKQR-LLVKDONJSA-N 2 1 296.321 2.453 20 0 CEADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000614331095 348179579 /nfs/dbraw/zinc/17/95/79/348179579.db2.gz OBGGUSDMCDUTNF-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP [NH3+]CCC[N@@H+](CC[C@@H]1CCOC1)Cc1ccccc1 ZINC000339405473 215150378 /nfs/dbraw/zinc/15/03/78/215150378.db2.gz AJUMDSRVQOMKRM-MRXNPFEDSA-N 2 1 262.397 2.264 20 0 CEADMP c1nc(-c2ccccc2)sc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613994729 348131527 /nfs/dbraw/zinc/13/15/27/348131527.db2.gz AVUWBTVXFSORBU-ZIAGYGMSSA-N 2 1 285.416 2.461 20 0 CEADMP C[NH+]1CCC([NH2+]CCc2cccc(C(F)(F)F)n2)CC1 ZINC000339409935 215154272 /nfs/dbraw/zinc/15/42/72/215154272.db2.gz CSUIUFDPPKZSOW-UHFFFAOYSA-N 2 1 287.329 2.327 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(F)c(F)cc2F)C1 ZINC000334847931 539610539 /nfs/dbraw/zinc/61/05/39/539610539.db2.gz YGQUNRGYKOUJMV-UWVGGRQHSA-N 2 1 258.287 2.463 20 0 CEADMP C[C@H]1C[C@@H](N[C@@H](Cc2ccccc2)C[NH+](C)C)CC[N@H+]1C ZINC000128835505 187393303 /nfs/dbraw/zinc/39/33/03/187393303.db2.gz JIDQMWCCGXOLMF-SZMVWBNQSA-N 2 1 289.467 2.232 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623350690 349994705 /nfs/dbraw/zinc/99/47/05/349994705.db2.gz POBAVVYAWIHQBX-CYBMUJFWSA-N 2 1 263.385 2.053 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623350690 349994707 /nfs/dbraw/zinc/99/47/07/349994707.db2.gz POBAVVYAWIHQBX-CYBMUJFWSA-N 2 1 263.385 2.053 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCC[C@H]2C)C1 ZINC000457100562 539656863 /nfs/dbraw/zinc/65/68/63/539656863.db2.gz WTJIIMJIKBHXSK-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+]2CCCC[C@H]2C)C1 ZINC000457100562 539656867 /nfs/dbraw/zinc/65/68/67/539656867.db2.gz WTJIIMJIKBHXSK-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+]2CCCC[C@H]2C)C1 ZINC000457100562 539656870 /nfs/dbraw/zinc/65/68/70/539656870.db2.gz WTJIIMJIKBHXSK-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1C=CCCC1 ZINC000617507276 348718952 /nfs/dbraw/zinc/71/89/52/348718952.db2.gz PGJGDAXYEPWQMS-HOTGVXAUSA-N 2 1 295.471 2.121 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1C=CCCC1 ZINC000617507276 348718953 /nfs/dbraw/zinc/71/89/53/348718953.db2.gz PGJGDAXYEPWQMS-HOTGVXAUSA-N 2 1 295.471 2.121 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000617339819 348680882 /nfs/dbraw/zinc/68/08/82/348680882.db2.gz NIXMCBUYBHBVQQ-HNNXBMFYSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000458233075 539672320 /nfs/dbraw/zinc/67/23/20/539672320.db2.gz WWWNPGWLRGOUGV-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCCC[NH+]1CCC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458233075 539672324 /nfs/dbraw/zinc/67/23/24/539672324.db2.gz WWWNPGWLRGOUGV-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCCC[NH+]1CCC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458233075 539672327 /nfs/dbraw/zinc/67/23/27/539672327.db2.gz WWWNPGWLRGOUGV-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H](Nc1cc[nH+]c(N(C)C)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000357663897 233119313 /nfs/dbraw/zinc/11/93/13/233119313.db2.gz SKQHNLYAGCSZBJ-XJKSGUPXSA-N 2 1 299.422 2.068 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(C)o1 ZINC000357780188 233142432 /nfs/dbraw/zinc/14/24/32/233142432.db2.gz UUZUEEZEQNMTKW-JRPNMDOOSA-N 2 1 265.401 2.152 20 0 CEADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)C ZINC000618662397 349012323 /nfs/dbraw/zinc/01/23/23/349012323.db2.gz XUHXLGVTFCFUNK-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000618990640 349088631 /nfs/dbraw/zinc/08/86/31/349088631.db2.gz MNRSKLXZEQWVAM-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCc1nocc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459793298 290242102 /nfs/dbraw/zinc/24/21/02/290242102.db2.gz TYBYPBBTWJANRH-GFCCVEGCSA-N 2 1 251.374 2.059 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2CO)CC1(C)C ZINC000623374054 350003365 /nfs/dbraw/zinc/00/33/65/350003365.db2.gz UWXLENUBBWSBIQ-OAHLLOKOSA-N 2 1 262.397 2.141 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2CO)CC1(C)C ZINC000623374054 350003369 /nfs/dbraw/zinc/00/33/69/350003369.db2.gz UWXLENUBBWSBIQ-OAHLLOKOSA-N 2 1 262.397 2.141 20 0 CEADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)N1CCCC1 ZINC000623419635 350015954 /nfs/dbraw/zinc/01/59/54/350015954.db2.gz QUMUNRWFJXOFAY-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCCOC1 ZINC000623487642 350032410 /nfs/dbraw/zinc/03/24/10/350032410.db2.gz LAWMEGXXQUGLAR-MELADBBJSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccnc(C)c1 ZINC000623429707 350018392 /nfs/dbraw/zinc/01/83/92/350018392.db2.gz NDTOQAPKEISEFW-UHFFFAOYSA-N 2 1 258.369 2.465 20 0 CEADMP CCC[C@@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623436501 350020194 /nfs/dbraw/zinc/02/01/94/350020194.db2.gz VEFBTURLXNHMFM-UONOGXRCSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623481250 350030467 /nfs/dbraw/zinc/03/04/67/350030467.db2.gz VXLOYYLXDSOPBM-RDBSUJKOSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623484082 350031400 /nfs/dbraw/zinc/03/14/00/350031400.db2.gz CTDOYQMOSQNSPG-KBPBESRZSA-N 2 1 268.445 2.246 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+](C)C2)CC1(C)C ZINC000623657532 350076814 /nfs/dbraw/zinc/07/68/14/350076814.db2.gz TUEBRHQCVWEPLS-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+](C)C2)CC1(C)C ZINC000623657532 350076815 /nfs/dbraw/zinc/07/68/15/350076815.db2.gz TUEBRHQCVWEPLS-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+](C)C2)CC1(C)C ZINC000623657532 350076818 /nfs/dbraw/zinc/07/68/18/350076818.db2.gz TUEBRHQCVWEPLS-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](C)C2)CC1(C)C ZINC000623657532 350076819 /nfs/dbraw/zinc/07/68/19/350076819.db2.gz TUEBRHQCVWEPLS-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](C)C2)CC1(C)C ZINC000623657532 350076825 /nfs/dbraw/zinc/07/68/25/350076825.db2.gz TUEBRHQCVWEPLS-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC1(C)C ZINC000623657532 350076827 /nfs/dbraw/zinc/07/68/27/350076827.db2.gz TUEBRHQCVWEPLS-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1(C)C ZINC000623657532 350076829 /nfs/dbraw/zinc/07/68/29/350076829.db2.gz TUEBRHQCVWEPLS-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOC(F)F)CC1(C)C ZINC000623515777 350039289 /nfs/dbraw/zinc/03/92/89/350039289.db2.gz PGGMTDAQXFNLRL-JTQLQIEISA-N 2 1 250.333 2.078 20 0 CEADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623528737 350041353 /nfs/dbraw/zinc/04/13/53/350041353.db2.gz AHBVXKLUGDQPRS-UKRRQHHQSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)CC1(C)C ZINC000623550420 350047471 /nfs/dbraw/zinc/04/74/71/350047471.db2.gz NPJFVVHCUPQCBF-GDBMZVCRSA-N 2 1 294.414 2.364 20 0 CEADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623547693 350047942 /nfs/dbraw/zinc/04/79/42/350047942.db2.gz YGPCWMWCRBCMKF-ROKHWSDSSA-N 2 1 254.418 2.406 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)CC1(C)C ZINC000623550423 350048111 /nfs/dbraw/zinc/04/81/11/350048111.db2.gz NPJFVVHCUPQCBF-ZBFHGGJFSA-N 2 1 294.414 2.364 20 0 CEADMP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623562886 350051784 /nfs/dbraw/zinc/05/17/84/350051784.db2.gz GWMYXWDYWGGWLR-JJXSEGSLSA-N 2 1 298.471 2.015 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623570283 350053474 /nfs/dbraw/zinc/05/34/74/350053474.db2.gz NQSUEPGYNOYMFA-ZDUSSCGKSA-N 2 1 276.428 2.260 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623570283 350053478 /nfs/dbraw/zinc/05/34/78/350053478.db2.gz NQSUEPGYNOYMFA-ZDUSSCGKSA-N 2 1 276.428 2.260 20 0 CEADMP CC1CCC(O)(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623575172 350055007 /nfs/dbraw/zinc/05/50/07/350055007.db2.gz OJCVPQUFGLAFNS-BBBYJDLNSA-N 2 1 268.445 2.390 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CC(N)=O)CCCCC2)CC1(C)C ZINC000623574667 350055405 /nfs/dbraw/zinc/05/54/05/350055405.db2.gz TYICNEIXKBSLON-AWEZNQCLSA-N 2 1 295.471 2.275 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000352060217 219306852 /nfs/dbraw/zinc/30/68/52/219306852.db2.gz SUERYGWAHCDIQD-HNNXBMFYSA-N 2 1 294.443 2.207 20 0 CEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCCO1 ZINC000623999208 350166386 /nfs/dbraw/zinc/16/63/86/350166386.db2.gz NPMZZFKYVOSPMY-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000624121617 350199734 /nfs/dbraw/zinc/19/97/34/350199734.db2.gz YYVICEAXUULENJ-ZNMIVQPWSA-N 2 1 254.418 2.123 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000624123251 350201196 /nfs/dbraw/zinc/20/11/96/350201196.db2.gz ISMPALLRIYVOMG-GOEBONIOSA-N 2 1 291.439 2.343 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000352167400 219343289 /nfs/dbraw/zinc/34/32/89/219343289.db2.gz AUAQYDLSYPXQEA-LSDHHAIUSA-N 2 1 283.460 2.144 20 0 CEADMP CCO[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000625186748 350424475 /nfs/dbraw/zinc/42/44/75/350424475.db2.gz XYYJBQMGJGQHRI-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CCO[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000625186748 350424477 /nfs/dbraw/zinc/42/44/77/350424477.db2.gz XYYJBQMGJGQHRI-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CCO[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000625186748 350424480 /nfs/dbraw/zinc/42/44/80/350424480.db2.gz XYYJBQMGJGQHRI-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1(CO)CCC1 ZINC000339736510 215319136 /nfs/dbraw/zinc/31/91/36/215319136.db2.gz FDPFMFTYAFHVEZ-HUUCEWRRSA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000151718209 539798438 /nfs/dbraw/zinc/79/84/38/539798438.db2.gz ABPPDZDXBNZSQG-HOCLYGCPSA-N 3 1 267.461 2.181 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335634045 212349013 /nfs/dbraw/zinc/34/90/13/212349013.db2.gz LTFFNAPRYAVJGH-KGLIPLIRSA-N 2 1 263.385 2.113 20 0 CEADMP C[N@@H+](Cc1cccc(Cl)n1)C1CCC([NH3+])CC1 ZINC000092366948 180369436 /nfs/dbraw/zinc/36/94/36/180369436.db2.gz GFUWBYZEZQNVPD-UHFFFAOYSA-N 2 1 253.777 2.437 20 0 CEADMP Fc1ccc(SCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107574511 186179761 /nfs/dbraw/zinc/17/97/61/186179761.db2.gz NZUIBXYXRLBUCM-VXGBXAGGSA-N 2 1 266.385 2.069 20 0 CEADMP CCCC[C@@H](C(=O)OC)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130531644 365966482 /nfs/dbraw/zinc/96/64/82/365966482.db2.gz YXKLYUHPRVXFSZ-AWEZNQCLSA-N 2 1 281.400 2.245 20 0 CEADMP CCCC[C@@H](C(=O)OC)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130531644 365966485 /nfs/dbraw/zinc/96/64/85/365966485.db2.gz YXKLYUHPRVXFSZ-AWEZNQCLSA-N 2 1 281.400 2.245 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c[nH]nc3c2)CC[N@@H+]1C ZINC000130632709 365975133 /nfs/dbraw/zinc/97/51/33/365975133.db2.gz OHHBAFMMZBDULX-IUODEOHRSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c[nH]nc3c2)CC[N@H+]1C ZINC000130632709 365975134 /nfs/dbraw/zinc/97/51/34/365975134.db2.gz OHHBAFMMZBDULX-IUODEOHRSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c[nH]nc3c2)CC[NH+]1C ZINC000130632709 365975135 /nfs/dbraw/zinc/97/51/35/365975135.db2.gz OHHBAFMMZBDULX-IUODEOHRSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c[nH]nc3c2)CC[NH+]1C ZINC000130632709 365975136 /nfs/dbraw/zinc/97/51/36/365975136.db2.gz OHHBAFMMZBDULX-IUODEOHRSA-N 2 1 272.396 2.477 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625776608 350566931 /nfs/dbraw/zinc/56/69/31/350566931.db2.gz KUGPTYUWKUHOTD-OLZOCXBDSA-N 2 1 251.399 2.161 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625776608 350566934 /nfs/dbraw/zinc/56/69/34/350566934.db2.gz KUGPTYUWKUHOTD-OLZOCXBDSA-N 2 1 251.399 2.161 20 0 CEADMP Cc1ccccc1OCC[N@H+](C)CCn1ccnc1 ZINC000130896992 366001365 /nfs/dbraw/zinc/00/13/65/366001365.db2.gz OYNRHLHNUIGZSJ-UHFFFAOYSA-N 2 1 259.353 2.202 20 0 CEADMP CC(C)OCCC[N@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337080294 366010171 /nfs/dbraw/zinc/01/01/71/366010171.db2.gz VFGVLNCQFFCVFJ-IAGOWNOFSA-N 2 1 276.424 2.476 20 0 CEADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(C3CC3)o2)C1 ZINC000628281421 351040199 /nfs/dbraw/zinc/04/01/99/351040199.db2.gz XSNAOLLHDGBCBM-ZFWWWQNUSA-N 2 1 275.396 2.468 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(C3CC3)o2)C1 ZINC000628281421 351040202 /nfs/dbraw/zinc/04/02/02/351040202.db2.gz XSNAOLLHDGBCBM-ZFWWWQNUSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnc(C3CC3)o2)C1 ZINC000628281421 351040204 /nfs/dbraw/zinc/04/02/04/351040204.db2.gz XSNAOLLHDGBCBM-ZFWWWQNUSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnc(C3CC3)o2)C1 ZINC000628281421 351040207 /nfs/dbraw/zinc/04/02/07/351040207.db2.gz XSNAOLLHDGBCBM-ZFWWWQNUSA-N 2 1 275.396 2.468 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C12CCCC2 ZINC000629543548 351405182 /nfs/dbraw/zinc/40/51/82/351405182.db2.gz BUYYXRDKNRAVGU-RFQIPJPRSA-N 2 1 252.402 2.064 20 0 CEADMP [NH3+]C1(C[NH2+][C@@H]2CCSc3ccccc32)CCOCC1 ZINC000629523876 351388829 /nfs/dbraw/zinc/38/88/29/351388829.db2.gz KPYFRMYKMMAORW-CYBMUJFWSA-N 2 1 278.421 2.321 20 0 CEADMP CCC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccnc1 ZINC000629525591 351390658 /nfs/dbraw/zinc/39/06/58/351390658.db2.gz XHGLOLWKXNCYME-AWEZNQCLSA-N 2 1 263.385 2.020 20 0 CEADMP CCO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C1CC1 ZINC000629533943 351397391 /nfs/dbraw/zinc/39/73/91/351397391.db2.gz FCYMLCLOVCZALL-ARFHVFGLSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1cc(C[NH2+]CC2([NH3+])CCOCC2)cc2cccnc12 ZINC000629388757 351347030 /nfs/dbraw/zinc/34/70/30/351347030.db2.gz SOSYEFBTGIOETJ-UHFFFAOYSA-N 2 1 285.391 2.141 20 0 CEADMP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1OC ZINC000070074062 363027142 /nfs/dbraw/zinc/02/71/42/363027142.db2.gz GMQRIZIKWLFLLA-AWEZNQCLSA-N 2 1 278.396 2.407 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000070074089 363027285 /nfs/dbraw/zinc/02/72/85/363027285.db2.gz NRPKCAHRAZFLAT-CYBMUJFWSA-N 2 1 278.396 2.265 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629647345 351445719 /nfs/dbraw/zinc/44/57/19/351445719.db2.gz RCNMVIIXGOVMSY-SWLSCSKDSA-N 2 1 258.365 2.132 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2=Cc3ccccc3OC2)CC[NH2+]1 ZINC000629648888 351447638 /nfs/dbraw/zinc/44/76/38/351447638.db2.gz BNCXCSNXESIWHH-WFASDCNBSA-N 2 1 258.365 2.193 20 0 CEADMP c1ccc2c(c1)C=C(C[N@@H+]1CC[C@]3(CC[NH2+]C3)C1)CO2 ZINC000629653940 351450711 /nfs/dbraw/zinc/45/07/11/351450711.db2.gz NMEOCEAGHHTAFS-KRWDZBQOSA-N 2 1 270.376 2.148 20 0 CEADMP c1ccc2c(c1)C=C(C[N@H+]1CC[C@]3(CC[NH2+]C3)C1)CO2 ZINC000629653940 351450714 /nfs/dbraw/zinc/45/07/14/351450714.db2.gz NMEOCEAGHHTAFS-KRWDZBQOSA-N 2 1 270.376 2.148 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000629655021 351452397 /nfs/dbraw/zinc/45/23/97/351452397.db2.gz VZWGVWQWQRMNSZ-JKSUJKDBSA-N 2 1 274.408 2.284 20 0 CEADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000629549517 351408127 /nfs/dbraw/zinc/40/81/27/351408127.db2.gz XYLSODPHBYFOBA-CYGHRXIMSA-N 2 1 287.451 2.237 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000629569307 351417822 /nfs/dbraw/zinc/41/78/22/351417822.db2.gz ZNOLKWJWPPIFTG-UHFFFAOYSA-N 2 1 290.329 2.373 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)CC[C@@H]1CCC[C@H](C)C1 ZINC000629571449 351419099 /nfs/dbraw/zinc/41/90/99/351419099.db2.gz MDSCLSDXUVUVAR-GJZGRUSLSA-N 2 1 256.434 2.371 20 0 CEADMP O[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000629582279 351422789 /nfs/dbraw/zinc/42/27/89/351422789.db2.gz QZBMWOCWBBJXJF-KCPJHIHWSA-N 2 1 280.799 2.057 20 0 CEADMP O[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000629582279 351422791 /nfs/dbraw/zinc/42/27/91/351422791.db2.gz QZBMWOCWBBJXJF-KCPJHIHWSA-N 2 1 280.799 2.057 20 0 CEADMP COc1ccc([C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1F ZINC000629588863 351424905 /nfs/dbraw/zinc/42/49/05/351424905.db2.gz MQUNDWGATIFIKQ-GXTWGEPZSA-N 2 1 278.371 2.233 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CCCC1 ZINC000629592358 351425657 /nfs/dbraw/zinc/42/56/57/351425657.db2.gz AXIZXNAPYGBLGW-OAGGEKHMSA-N 2 1 266.429 2.123 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000070148334 363037200 /nfs/dbraw/zinc/03/72/00/363037200.db2.gz RIKUBFKZVGINNA-OAHLLOKOSA-N 2 1 276.380 2.177 20 0 CEADMP Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070170708 363043490 /nfs/dbraw/zinc/04/34/90/363043490.db2.gz YPXUBRXWLQUQRR-OAHLLOKOSA-N 2 1 289.423 2.303 20 0 CEADMP COc1ccc(OC)c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171702 363044400 /nfs/dbraw/zinc/04/44/00/363044400.db2.gz FZJITGGMWKMYAL-OLZOCXBDSA-N 2 1 278.396 2.263 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171702 363044404 /nfs/dbraw/zinc/04/44/04/363044404.db2.gz FZJITGGMWKMYAL-OLZOCXBDSA-N 2 1 278.396 2.263 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(OC)c1 ZINC000070171548 363044628 /nfs/dbraw/zinc/04/46/28/363044628.db2.gz RUXYEOXKFYSIEQ-CHWSQXEVSA-N 2 1 278.396 2.263 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(OC)c1 ZINC000070171548 363044630 /nfs/dbraw/zinc/04/46/30/363044630.db2.gz RUXYEOXKFYSIEQ-CHWSQXEVSA-N 2 1 278.396 2.263 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC000070189763 363051928 /nfs/dbraw/zinc/05/19/28/363051928.db2.gz WFMLUOVKESMCJL-UHFFFAOYSA-N 2 1 290.367 2.151 20 0 CEADMP CCN(C(=O)CC[C@H]1CCCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000630006426 351583140 /nfs/dbraw/zinc/58/31/40/351583140.db2.gz SCRZAUPFBKDOIB-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CCO1 ZINC000569103485 299179340 /nfs/dbraw/zinc/17/93/40/299179340.db2.gz IVANBWFGPVGJLW-BZUAXINKSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000131605008 366069962 /nfs/dbraw/zinc/06/99/62/366069962.db2.gz PPPCUODNDJRWQG-NEPJUHHUSA-N 2 1 295.814 2.338 20 0 CEADMP COc1ccc(CC[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070534430 363093925 /nfs/dbraw/zinc/09/39/25/363093925.db2.gz VMHQAOLORKQRBX-OAHLLOKOSA-N 2 1 262.397 2.299 20 0 CEADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccon2)CC1 ZINC000122050425 187012134 /nfs/dbraw/zinc/01/21/34/187012134.db2.gz AGCFYQBXRGPFFS-UHFFFAOYSA-N 2 1 295.427 2.245 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccon2)CC1 ZINC000122050425 187012135 /nfs/dbraw/zinc/01/21/35/187012135.db2.gz AGCFYQBXRGPFFS-UHFFFAOYSA-N 2 1 295.427 2.245 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+](C(C)C)CC1 ZINC000122140464 187017299 /nfs/dbraw/zinc/01/72/99/187017299.db2.gz HLXDVFCRPJRBEE-UHFFFAOYSA-N 2 1 256.434 2.465 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000630636534 351815354 /nfs/dbraw/zinc/81/53/54/351815354.db2.gz OTPGPCDCAVCJBX-UONOGXRCSA-N 2 1 295.471 2.142 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCCCn2cccn2)CC[N@@H+]1C ZINC000123403062 187090041 /nfs/dbraw/zinc/09/00/41/187090041.db2.gz GLYQIVRVECUMKD-HZPDHXFCSA-N 2 1 278.444 2.468 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCCCn2cccn2)CC[N@H+]1C ZINC000123403062 187090042 /nfs/dbraw/zinc/09/00/42/187090042.db2.gz GLYQIVRVECUMKD-HZPDHXFCSA-N 2 1 278.444 2.468 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCCCCn2cccn2)CC[NH+]1C ZINC000123403062 187090043 /nfs/dbraw/zinc/09/00/43/187090043.db2.gz GLYQIVRVECUMKD-HZPDHXFCSA-N 2 1 278.444 2.468 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCCn2cccn2)CC[NH+]1C ZINC000123403062 187090044 /nfs/dbraw/zinc/09/00/44/187090044.db2.gz GLYQIVRVECUMKD-HZPDHXFCSA-N 2 1 278.444 2.468 20 0 CEADMP COCCc1ncc(C[NH2+]CC(C)(C)C[NH+](C)C)s1 ZINC000631030511 351928814 /nfs/dbraw/zinc/92/88/14/351928814.db2.gz SYAQQSFLRQSPNF-UHFFFAOYSA-N 2 1 285.457 2.009 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631055936 351941065 /nfs/dbraw/zinc/94/10/65/351941065.db2.gz BCOBBQUABULWCP-AWEZNQCLSA-N 2 1 290.455 2.120 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631055936 351941068 /nfs/dbraw/zinc/94/10/68/351941068.db2.gz BCOBBQUABULWCP-AWEZNQCLSA-N 2 1 290.455 2.120 20 0 CEADMP CC(C)[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000131280293 187554519 /nfs/dbraw/zinc/55/45/19/187554519.db2.gz OVJDPRAXKIQUOE-GOSISDBHSA-N 2 1 290.451 2.300 20 0 CEADMP C[N@H+]1CCC[C@@H](CNCc2ccnn2CC2CCC2)C1 ZINC000631068276 351946756 /nfs/dbraw/zinc/94/67/56/351946756.db2.gz HCFHATHDQUFLMD-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC000631068276 351946767 /nfs/dbraw/zinc/94/67/67/351946767.db2.gz HCFHATHDQUFLMD-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)COC3)CC[N@H+]1C ZINC000336473289 213343351 /nfs/dbraw/zinc/34/33/51/213343351.db2.gz CDEJVIYAKUFBPT-BLLLJJGKSA-N 2 1 260.381 2.289 20 0 CEADMP Cc1cccc(OCC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292113223 198167233 /nfs/dbraw/zinc/16/72/33/198167233.db2.gz JFYKTUNNKZYCDB-KRWDZBQOSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1cccc(OCC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292113223 198167234 /nfs/dbraw/zinc/16/72/34/198167234.db2.gz JFYKTUNNKZYCDB-KRWDZBQOSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292113223 198167236 /nfs/dbraw/zinc/16/72/36/198167236.db2.gz JFYKTUNNKZYCDB-KRWDZBQOSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292113223 198167238 /nfs/dbraw/zinc/16/72/38/198167238.db2.gz JFYKTUNNKZYCDB-KRWDZBQOSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2c(c1)ncn2C ZINC000271622441 191245710 /nfs/dbraw/zinc/24/57/10/191245710.db2.gz DGUAOHPMAIXQAZ-UHFFFAOYSA-N 2 1 283.379 2.258 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292241754 198213818 /nfs/dbraw/zinc/21/38/18/198213818.db2.gz WVAMFTLCMIHHFZ-SJORKVTESA-N 2 1 274.408 2.402 20 0 CEADMP CO[C@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292241754 198213820 /nfs/dbraw/zinc/21/38/20/198213820.db2.gz WVAMFTLCMIHHFZ-SJORKVTESA-N 2 1 274.408 2.402 20 0 CEADMP CO[C@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292241754 198213821 /nfs/dbraw/zinc/21/38/21/198213821.db2.gz WVAMFTLCMIHHFZ-SJORKVTESA-N 2 1 274.408 2.402 20 0 CEADMP CC[N@@H+](CC(=O)Nc1cc(C[NH+](C)C)ccc1C)C1CC1 ZINC000153360538 188077978 /nfs/dbraw/zinc/07/79/78/188077978.db2.gz MJBWQTZTRWQITN-UHFFFAOYSA-N 2 1 289.423 2.479 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1F ZINC000153722374 188099747 /nfs/dbraw/zinc/09/97/47/188099747.db2.gz YBSIBEACGNSBPQ-ZDUSSCGKSA-N 2 1 268.376 2.445 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1F ZINC000153722374 188099749 /nfs/dbraw/zinc/09/97/49/188099749.db2.gz YBSIBEACGNSBPQ-ZDUSSCGKSA-N 2 1 268.376 2.445 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000236939050 370660598 /nfs/dbraw/zinc/66/05/98/370660598.db2.gz MRXFMPNWNHBKMX-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccncc1 ZINC000156673350 188275354 /nfs/dbraw/zinc/27/53/54/188275354.db2.gz JBLDCXWIBBZUSZ-LSDHHAIUSA-N 2 1 289.423 2.233 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cn(C)nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000251927722 539994650 /nfs/dbraw/zinc/99/46/50/539994650.db2.gz YYUKZZLESUOSDZ-TZMCWYRMSA-N 2 1 278.444 2.277 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cn(C)nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000251927722 539994651 /nfs/dbraw/zinc/99/46/51/539994651.db2.gz YYUKZZLESUOSDZ-TZMCWYRMSA-N 2 1 278.444 2.277 20 0 CEADMP c1ccc2c(c1)CCN2CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000292608912 198349933 /nfs/dbraw/zinc/34/99/33/198349933.db2.gz WUCDROKKJWEBNK-QGZVFWFLSA-N 2 1 299.462 2.467 20 0 CEADMP c1ccc2c(c1)OC[C@@H]2C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158037633 188354121 /nfs/dbraw/zinc/35/41/21/188354121.db2.gz ACGZMHOXLIMWCC-SOUVJXGZSA-N 2 1 272.392 2.379 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000131816993 366089012 /nfs/dbraw/zinc/08/90/12/366089012.db2.gz XFXHXXUDMGKXJG-KGLIPLIRSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000131816993 366089018 /nfs/dbraw/zinc/08/90/18/366089018.db2.gz XFXHXXUDMGKXJG-KGLIPLIRSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000131816993 366089021 /nfs/dbraw/zinc/08/90/21/366089021.db2.gz XFXHXXUDMGKXJG-KGLIPLIRSA-N 2 1 282.428 2.134 20 0 CEADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2CCC(=O)NC2(C)C)([NH+](C)C)C1 ZINC000494890694 291003422 /nfs/dbraw/zinc/00/34/22/291003422.db2.gz OANNPVIJOKNRMB-KEYYUXOJSA-N 2 1 295.471 2.144 20 0 CEADMP Cn1cnc2cc(C[N@@H+](C)CC3CC[NH+](C)CC3)ccc21 ZINC000271706658 191283413 /nfs/dbraw/zinc/28/34/13/191283413.db2.gz FUCXWPXJRLTZII-UHFFFAOYSA-N 2 1 286.423 2.347 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC2(C)C)CC1 ZINC000337240316 366098324 /nfs/dbraw/zinc/09/83/24/366098324.db2.gz FCMAOOYVNQQBFS-UHFFFAOYSA-N 2 1 267.461 2.277 20 0 CEADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCC1 ZINC000337258573 366110826 /nfs/dbraw/zinc/11/08/26/366110826.db2.gz VBWVRKYOOJVUSJ-UHFFFAOYSA-N 2 1 267.461 2.277 20 0 CEADMP Fc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CO2 ZINC000290456724 283000197 /nfs/dbraw/zinc/00/01/97/283000197.db2.gz WGWFERTYNGHKGN-OWCLPIDISA-N 2 1 290.382 2.346 20 0 CEADMP Fc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CO2 ZINC000290456722 283000277 /nfs/dbraw/zinc/00/02/77/283000277.db2.gz WGWFERTYNGHKGN-JYJNAYRXSA-N 2 1 290.382 2.346 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000666853964 540023992 /nfs/dbraw/zinc/02/39/92/540023992.db2.gz UZELIYAEFWAJST-UONOGXRCSA-N 2 1 270.380 2.232 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000271757854 191308072 /nfs/dbraw/zinc/30/80/72/191308072.db2.gz SKTGQGZEVVKQLY-GFCCVEGCSA-N 2 1 283.379 2.429 20 0 CEADMP CCCCOCC[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000570939866 314064196 /nfs/dbraw/zinc/06/41/96/314064196.db2.gz NOGVVWCAHJPTFW-CYBMUJFWSA-N 2 1 251.374 2.026 20 0 CEADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000401091171 540076002 /nfs/dbraw/zinc/07/60/02/540076002.db2.gz VQKRGCDKOIFVBY-HZPDHXFCSA-N 2 1 273.424 2.457 20 0 CEADMP Cc1[nH+]ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000379936759 540122587 /nfs/dbraw/zinc/12/25/87/540122587.db2.gz WGCLDMIOYZZUGL-SNVBAGLBSA-N 2 1 251.761 2.114 20 0 CEADMP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2)[C@H](C[NH3+])C1 ZINC000261640061 540149690 /nfs/dbraw/zinc/14/96/90/540149690.db2.gz JKSPYFIMYKQRNW-HIFRSBDPSA-N 2 1 275.396 2.074 20 0 CEADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2)[C@H](C[NH3+])C1 ZINC000261640061 540149692 /nfs/dbraw/zinc/14/96/92/540149692.db2.gz JKSPYFIMYKQRNW-HIFRSBDPSA-N 2 1 275.396 2.074 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451784817 283104531 /nfs/dbraw/zinc/10/45/31/283104531.db2.gz FHCLUQAGXGGJCM-CQSZACIVSA-N 2 1 258.450 2.447 20 0 CEADMP CO[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CCC[NH+]2C)C12CCC2 ZINC000451862965 283128590 /nfs/dbraw/zinc/12/85/90/283128590.db2.gz YMFJEJPYVTYVPC-SOUVJXGZSA-N 2 1 266.429 2.360 20 0 CEADMP CO[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCC[N@@H+]2C)C12CCC2 ZINC000451862965 283128594 /nfs/dbraw/zinc/12/85/94/283128594.db2.gz YMFJEJPYVTYVPC-SOUVJXGZSA-N 2 1 266.429 2.360 20 0 CEADMP CO[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCC[N@H+]2C)C12CCC2 ZINC000451862965 283128596 /nfs/dbraw/zinc/12/85/96/283128596.db2.gz YMFJEJPYVTYVPC-SOUVJXGZSA-N 2 1 266.429 2.360 20 0 CEADMP Cc1nnc([C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)s1 ZINC000338233571 366245701 /nfs/dbraw/zinc/24/57/01/366245701.db2.gz DEQUWILQPZISQS-SNVBAGLBSA-N 2 1 268.430 2.181 20 0 CEADMP CCC1(C)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000385930125 540243541 /nfs/dbraw/zinc/24/35/41/540243541.db2.gz KPMUTACBWUNELZ-CQSZACIVSA-N 2 1 256.434 2.200 20 0 CEADMP [NH3+]CCC[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000414760057 540245856 /nfs/dbraw/zinc/24/58/56/540245856.db2.gz XPEOGOIVCRDQHC-UHFFFAOYSA-N 2 1 254.324 2.493 20 0 CEADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414935416 540248203 /nfs/dbraw/zinc/24/82/03/540248203.db2.gz VPAHRWAIGIPROY-SECBINFHSA-N 2 1 294.196 2.434 20 0 CEADMP Cc1noc(C)c1CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000452100382 283187096 /nfs/dbraw/zinc/18/70/96/283187096.db2.gz ZQQONQMSBHTFSY-UHFFFAOYSA-N 2 1 265.401 2.298 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)CCC[NH+]2CCCCC2)C1 ZINC000452124828 283196132 /nfs/dbraw/zinc/19/61/32/283196132.db2.gz XBMRTJKQOTWDEV-INIZCTEOSA-N 2 1 267.461 2.277 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cn[nH]c2)C[C@H]1c1ccccc1 ZINC000340397794 215565669 /nfs/dbraw/zinc/56/56/69/215565669.db2.gz VTKYEUVGPKHLAX-SJORKVTESA-N 2 1 284.407 2.377 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cn[nH]c2)C[C@H]1c1ccccc1 ZINC000340397794 215565671 /nfs/dbraw/zinc/56/56/71/215565671.db2.gz VTKYEUVGPKHLAX-SJORKVTESA-N 2 1 284.407 2.377 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](O)CC(C)(C)C1 ZINC000336235850 213067695 /nfs/dbraw/zinc/06/76/95/213067695.db2.gz PTJDGBMCTBICND-HUUCEWRRSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000336235850 213067698 /nfs/dbraw/zinc/06/76/98/213067698.db2.gz PTJDGBMCTBICND-HUUCEWRRSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000336235850 213067700 /nfs/dbraw/zinc/06/77/00/213067700.db2.gz PTJDGBMCTBICND-HUUCEWRRSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCNC(=O)OC(C)(C)C)CC1 ZINC000496323245 291128402 /nfs/dbraw/zinc/12/84/02/291128402.db2.gz HSCAVBXRWZSZEW-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(CO)Cc2ccccc2)CC[N@H+]1C ZINC000358044770 540371497 /nfs/dbraw/zinc/37/14/97/540371497.db2.gz GEYMGBRTKZXZRB-KBAYOESNSA-N 2 1 290.451 2.300 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccncc1C ZINC000294723660 199152434 /nfs/dbraw/zinc/15/24/34/199152434.db2.gz IGSXISWGMSRFBE-LBPRGKRZSA-N 2 1 258.369 2.321 20 0 CEADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000294728951 199155797 /nfs/dbraw/zinc/15/57/97/199155797.db2.gz BMCFQCLUAIUVKA-QXDIGNSFSA-N 2 1 286.419 2.010 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2c(Cl)cnn2C)cc1 ZINC000414819429 236499752 /nfs/dbraw/zinc/49/97/52/236499752.db2.gz YSYSBGWRCMPLRM-JTQLQIEISA-N 2 1 278.787 2.383 20 0 CEADMP CC[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000135191690 366406684 /nfs/dbraw/zinc/40/66/84/366406684.db2.gz YHWBMSKUTGVHNC-MRXNPFEDSA-N 2 1 276.424 2.402 20 0 CEADMP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000294930335 199256002 /nfs/dbraw/zinc/25/60/02/199256002.db2.gz BDOGACPJUYOAJZ-GJZGRUSLSA-N 2 1 291.439 2.011 20 0 CEADMP CCOC(=O)N1CCC([NH2+][C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000496614527 291155401 /nfs/dbraw/zinc/15/54/01/291155401.db2.gz BQPMYXOSKFHSSS-HNNXBMFYSA-N 2 1 297.443 2.105 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000578248211 366468795 /nfs/dbraw/zinc/46/87/95/366468795.db2.gz YWDCUKCRVPCNGC-SJORKVTESA-N 3 1 275.440 2.498 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671755229 540502275 /nfs/dbraw/zinc/50/22/75/540502275.db2.gz FQWOAQJULVZVHQ-LLVKDONJSA-N 2 1 287.363 2.446 20 0 CEADMP CO[C@@]1(C(F)(F)F)CCCN(Cc2c[nH+]c(C)n2C)C1 ZINC000668030294 540555980 /nfs/dbraw/zinc/55/59/80/540555980.db2.gz OQOHHUQGBOWART-LBPRGKRZSA-N 2 1 291.317 2.272 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000672824609 540640411 /nfs/dbraw/zinc/64/04/11/540640411.db2.gz IGIFXTOBYJFQGA-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CC)c1ccccc1 ZINC000578783626 366548880 /nfs/dbraw/zinc/54/88/80/366548880.db2.gz CJCPKTYLOUJCNM-JKSUJKDBSA-N 2 1 264.413 2.430 20 0 CEADMP CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000578783626 366548889 /nfs/dbraw/zinc/54/88/89/366548889.db2.gz CJCPKTYLOUJCNM-JKSUJKDBSA-N 2 1 264.413 2.430 20 0 CEADMP Cn1c2cc(F)ccc2nc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000571236172 299300751 /nfs/dbraw/zinc/30/07/51/299300751.db2.gz UPDLZYSBBGJGCP-NSHDSACASA-N 2 1 288.370 2.031 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+]CCCc2c[nH+]cn2C)C12CCC2 ZINC000579124274 366598391 /nfs/dbraw/zinc/59/83/91/366598391.db2.gz HZNXMEPKOLZVIN-GJZGRUSLSA-N 2 1 277.412 2.290 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C1CCCCC1 ZINC000579340396 366629295 /nfs/dbraw/zinc/62/92/95/366629295.db2.gz DWDZEBISCSYQGR-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2cccc(C)n2)C1 ZINC000579348116 366630800 /nfs/dbraw/zinc/63/08/00/366630800.db2.gz VIMJDLJROKBCAN-HNNXBMFYSA-N 2 1 261.413 2.206 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cccc(C)n2)C1 ZINC000579348116 366630804 /nfs/dbraw/zinc/63/08/04/366630804.db2.gz VIMJDLJROKBCAN-HNNXBMFYSA-N 2 1 261.413 2.206 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2cccc(C)n2)C1 ZINC000579348116 366630810 /nfs/dbraw/zinc/63/08/10/366630810.db2.gz VIMJDLJROKBCAN-HNNXBMFYSA-N 2 1 261.413 2.206 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cccc(C)n2)C1 ZINC000579348116 366630818 /nfs/dbraw/zinc/63/08/18/366630818.db2.gz VIMJDLJROKBCAN-HNNXBMFYSA-N 2 1 261.413 2.206 20 0 CEADMP Cn1cc([C@@H](NC[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)cn1 ZINC000579550637 366660139 /nfs/dbraw/zinc/66/01/39/366660139.db2.gz DFEVEILMYBEVDM-YJBOKZPZSA-N 2 1 298.434 2.441 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCOc2cccc(F)c2)CC[N@@H+]1C ZINC000178473293 189119657 /nfs/dbraw/zinc/11/96/57/189119657.db2.gz VTXHKKZPHDMYMS-JSGCOSHPSA-N 2 1 266.360 2.277 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCOc2cccc(F)c2)CC[N@H+]1C ZINC000178473293 189119658 /nfs/dbraw/zinc/11/96/58/189119658.db2.gz VTXHKKZPHDMYMS-JSGCOSHPSA-N 2 1 266.360 2.277 20 0 CEADMP [NH3+]C1(C[NH2+]CCOc2ccc(Cl)cc2)CCC1 ZINC000342115237 216223623 /nfs/dbraw/zinc/22/36/23/216223623.db2.gz CXXKXDFHPJRWRH-UHFFFAOYSA-N 2 1 254.761 2.190 20 0 CEADMP Cc1nc(C)c(C)c(NC[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000675548072 540852112 /nfs/dbraw/zinc/85/21/12/540852112.db2.gz CHKKDXDKOGWOKA-CYBMUJFWSA-N 2 1 260.385 2.298 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000675821593 540876473 /nfs/dbraw/zinc/87/64/73/540876473.db2.gz LCZQIMXWIXWENW-CVEARBPZSA-N 3 1 281.488 2.427 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000179633660 189208897 /nfs/dbraw/zinc/20/88/97/189208897.db2.gz UFODPXCUUFFADS-OAHLLOKOSA-N 2 1 275.396 2.029 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000179633660 189208898 /nfs/dbraw/zinc/20/88/98/189208898.db2.gz UFODPXCUUFFADS-OAHLLOKOSA-N 2 1 275.396 2.029 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000571603967 299317996 /nfs/dbraw/zinc/31/79/96/299317996.db2.gz ULIOXPUKNPCOEY-IXDOHACOSA-N 2 1 276.424 2.225 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000342258737 216281473 /nfs/dbraw/zinc/28/14/73/216281473.db2.gz ZBTFMKQHQNCCKC-UONOGXRCSA-N 2 1 277.412 2.036 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000677440503 541015140 /nfs/dbraw/zinc/01/51/40/541015140.db2.gz LGXILLSEMKKIMO-AWEZNQCLSA-N 2 1 277.412 2.361 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CCc1ccccc1 ZINC000579727799 366693168 /nfs/dbraw/zinc/69/31/68/366693168.db2.gz YBNIHFVBPVYOBJ-ZWKOTPCHSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000579727799 366693172 /nfs/dbraw/zinc/69/31/72/366693172.db2.gz YBNIHFVBPVYOBJ-ZWKOTPCHSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000579727799 366693177 /nfs/dbraw/zinc/69/31/77/366693177.db2.gz YBNIHFVBPVYOBJ-ZWKOTPCHSA-N 2 1 290.451 2.396 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)cn2)CC[N@@H+]1C ZINC000181324276 189293855 /nfs/dbraw/zinc/29/38/55/189293855.db2.gz SADZCUDFNKQPEU-YPMHNXCESA-N 2 1 283.803 2.186 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)cn2)CC[N@H+]1C ZINC000181324276 189293856 /nfs/dbraw/zinc/29/38/56/189293856.db2.gz SADZCUDFNKQPEU-YPMHNXCESA-N 2 1 283.803 2.186 20 0 CEADMP CCCC[N@@H+](CCCO)CC[C@@H]1CCCC[NH+]1C ZINC000342299320 216299873 /nfs/dbraw/zinc/29/98/73/216299873.db2.gz WGCJGFAULSJULB-HNNXBMFYSA-N 2 1 256.434 2.345 20 0 CEADMP CCCC[NH+](CCCO)CC[C@@H]1CCCC[N@@H+]1C ZINC000342299320 216299875 /nfs/dbraw/zinc/29/98/75/216299875.db2.gz WGCJGFAULSJULB-HNNXBMFYSA-N 2 1 256.434 2.345 20 0 CEADMP CCCC[NH+](CCCO)CC[C@@H]1CCCC[N@H+]1C ZINC000342299320 216299878 /nfs/dbraw/zinc/29/98/78/216299878.db2.gz WGCJGFAULSJULB-HNNXBMFYSA-N 2 1 256.434 2.345 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccc(F)cc2)CC[N@H+]1C ZINC000181793158 189306422 /nfs/dbraw/zinc/30/64/22/189306422.db2.gz DWFMXXIGPRCQLD-WQVCFCJDSA-N 2 1 280.387 2.106 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CCC1CC[NH2+]CC1 ZINC000237075464 370687192 /nfs/dbraw/zinc/68/71/92/370687192.db2.gz OUZXCVDJOARSHE-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+]1CCC(CC[NH2+]Cc2ncc(C)o2)CC1 ZINC000638692282 370689188 /nfs/dbraw/zinc/68/91/88/370689188.db2.gz GBQDLWUJJWWFDP-UHFFFAOYSA-N 2 1 251.374 2.195 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCN(C)c1ccccc1 ZINC000154370276 366770261 /nfs/dbraw/zinc/77/02/61/366770261.db2.gz CBNXHELSCVONIX-RDJZCZTQSA-N 2 1 275.440 2.443 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000580289587 366775862 /nfs/dbraw/zinc/77/58/62/366775862.db2.gz MRGNOTZAXPQAIG-OAHLLOKOSA-N 2 1 272.396 2.479 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000340238432 366814813 /nfs/dbraw/zinc/81/48/13/366814813.db2.gz IWPCAUTUPSYQMI-HOCLYGCPSA-N 2 1 296.842 2.173 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)NCc1ncc(C[NH+](C)C)s1 ZINC000342424234 216349364 /nfs/dbraw/zinc/34/93/64/216349364.db2.gz FVHBSKFNTRKWHH-ZDUSSCGKSA-N 2 1 298.500 2.415 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NCc1ncc(C[NH+](C)C)s1 ZINC000342424234 216349365 /nfs/dbraw/zinc/34/93/65/216349365.db2.gz FVHBSKFNTRKWHH-ZDUSSCGKSA-N 2 1 298.500 2.415 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCc1cccc(F)c1 ZINC000019933391 361569102 /nfs/dbraw/zinc/56/91/02/361569102.db2.gz KRRVZDRQDHGBIJ-HNNXBMFYSA-N 2 1 250.361 2.442 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCc1cccc(F)c1 ZINC000019933391 361569108 /nfs/dbraw/zinc/56/91/08/361569108.db2.gz KRRVZDRQDHGBIJ-HNNXBMFYSA-N 2 1 250.361 2.442 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(OC)c(O)c1 ZINC000019942795 361569200 /nfs/dbraw/zinc/56/92/00/361569200.db2.gz MNUHHVOYJRUDIA-UHFFFAOYSA-N 2 1 266.385 2.222 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1O ZINC000237167190 370696395 /nfs/dbraw/zinc/69/63/95/370696395.db2.gz STTJAKSLWMWBNS-GFCCVEGCSA-N 2 1 289.379 2.332 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccn1 ZINC000638710431 370701829 /nfs/dbraw/zinc/70/18/29/370701829.db2.gz VXYVSTBWPCSMNE-KCQAQPDRSA-N 2 1 277.412 2.094 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccn1 ZINC000638710431 370701831 /nfs/dbraw/zinc/70/18/31/370701831.db2.gz VXYVSTBWPCSMNE-KCQAQPDRSA-N 2 1 277.412 2.094 20 0 CEADMP Cn1ncc2c1CCCN(CC[C@@H]1CCCC[N@H+]1C)C2 ZINC000334643538 364124828 /nfs/dbraw/zinc/12/48/28/364124828.db2.gz FHQPPDLUVVFLFJ-HNNXBMFYSA-N 2 1 276.428 2.043 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516084 364194890 /nfs/dbraw/zinc/19/48/90/364194890.db2.gz KZGHOUWTTNFZGF-ILXRZTDVSA-N 3 1 255.450 2.227 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000093513760 364194944 /nfs/dbraw/zinc/19/49/44/364194944.db2.gz YPTRDALAPXTVJJ-ZFWWWQNUSA-N 2 1 277.412 2.491 20 0 CEADMP C[NH+](C)CC[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C(C)(C)C ZINC000572014016 299340894 /nfs/dbraw/zinc/34/08/94/299340894.db2.gz OUJBYWKSZCLWHM-AWEZNQCLSA-N 2 1 297.487 2.201 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093770249 364225212 /nfs/dbraw/zinc/22/52/12/364225212.db2.gz BAQSEJAIPRXMKO-INIZCTEOSA-N 2 1 289.423 2.419 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093770249 364225213 /nfs/dbraw/zinc/22/52/13/364225213.db2.gz BAQSEJAIPRXMKO-INIZCTEOSA-N 2 1 289.423 2.419 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093770249 364225214 /nfs/dbraw/zinc/22/52/14/364225214.db2.gz BAQSEJAIPRXMKO-INIZCTEOSA-N 2 1 289.423 2.419 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093770249 364225216 /nfs/dbraw/zinc/22/52/16/364225216.db2.gz BAQSEJAIPRXMKO-INIZCTEOSA-N 2 1 289.423 2.419 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334995026 364324741 /nfs/dbraw/zinc/32/47/41/364324741.db2.gz XWDXKCKDACITNW-AWEZNQCLSA-N 2 1 265.426 2.070 20 0 CEADMP Cc1ccncc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334867390 364278826 /nfs/dbraw/zinc/27/88/26/364278826.db2.gz DLJPPQCMEYAXFW-ZBFHGGJFSA-N 2 1 259.397 2.354 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-n2cccn2)CC[N@H+]1C ZINC000094627624 364284371 /nfs/dbraw/zinc/28/43/71/364284371.db2.gz YIQUHUCPPJTJGC-GOEBONIOSA-N 2 1 284.407 2.445 20 0 CEADMP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000334975175 364300153 /nfs/dbraw/zinc/30/01/53/364300153.db2.gz QIKRMUNEVALHGC-CMPLNLGQSA-N 2 1 276.359 2.064 20 0 CEADMP C[C@@H](CCCO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000094942552 364311274 /nfs/dbraw/zinc/31/12/74/364311274.db2.gz WRNOKABKFDDMLC-INIZCTEOSA-N 2 1 290.451 2.444 20 0 CEADMP c1ccc2c(c1)SCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000335029431 364375145 /nfs/dbraw/zinc/37/51/45/364375145.db2.gz KPNJJVKOIQPVMW-JSGCOSHPSA-N 2 1 278.421 2.192 20 0 CEADMP C[N@@H+](CCc1cscn1)CC[C@H]1CCCC[NH+]1C ZINC000340277854 366829535 /nfs/dbraw/zinc/82/95/35/366829535.db2.gz MEORDDFGTGDCIY-CQSZACIVSA-N 2 1 267.442 2.492 20 0 CEADMP C[N@H+](CCc1cscn1)CC[C@H]1CCCC[NH+]1C ZINC000340277854 366829542 /nfs/dbraw/zinc/82/95/42/366829542.db2.gz MEORDDFGTGDCIY-CQSZACIVSA-N 2 1 267.442 2.492 20 0 CEADMP C[NH+](CCc1cscn1)CC[C@H]1CCCC[N@@H+]1C ZINC000340277854 366829545 /nfs/dbraw/zinc/82/95/45/366829545.db2.gz MEORDDFGTGDCIY-CQSZACIVSA-N 2 1 267.442 2.492 20 0 CEADMP C[NH+](CCc1cscn1)CC[C@H]1CCCC[N@H+]1C ZINC000340277854 366829549 /nfs/dbraw/zinc/82/95/49/366829549.db2.gz MEORDDFGTGDCIY-CQSZACIVSA-N 2 1 267.442 2.492 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNC2CC[NH+](CC3CC3)CC2)C1 ZINC000582030143 366852703 /nfs/dbraw/zinc/85/27/03/366852703.db2.gz DJJCTXMHFWSNPD-INIZCTEOSA-N 2 1 279.472 2.181 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000582030143 366852711 /nfs/dbraw/zinc/85/27/11/366852711.db2.gz DJJCTXMHFWSNPD-INIZCTEOSA-N 3 1 279.472 2.181 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000582030143 366852718 /nfs/dbraw/zinc/85/27/18/366852718.db2.gz DJJCTXMHFWSNPD-INIZCTEOSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@H](CCO)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000097439907 364500732 /nfs/dbraw/zinc/50/07/32/364500732.db2.gz VYAVRHMBCAHDOK-MRXNPFEDSA-N 2 1 290.451 2.302 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC[NH+](C)C1CCCCC1 ZINC000157430770 366843647 /nfs/dbraw/zinc/84/36/47/366843647.db2.gz XHBZCUDSQUGZQX-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1NCC[N@H+](C)C1CCCCC1 ZINC000157430770 366843648 /nfs/dbraw/zinc/84/36/48/366843648.db2.gz XHBZCUDSQUGZQX-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1NCC[N@@H+](C)C1CCCCC1 ZINC000157430770 366843651 /nfs/dbraw/zinc/84/36/51/366843651.db2.gz XHBZCUDSQUGZQX-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000103826432 364669692 /nfs/dbraw/zinc/66/96/92/364669692.db2.gz FBRCGOWFGLHOGS-AWEZNQCLSA-N 2 1 292.423 2.444 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000103826432 364669699 /nfs/dbraw/zinc/66/96/99/364669699.db2.gz FBRCGOWFGLHOGS-AWEZNQCLSA-N 2 1 292.423 2.444 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2c1 ZINC000335634520 212348899 /nfs/dbraw/zinc/34/88/99/212348899.db2.gz PGXOLXGKRHLRNU-HOTGVXAUSA-N 2 1 298.434 2.464 20 0 CEADMP Oc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335637109 212352229 /nfs/dbraw/zinc/35/22/29/212352229.db2.gz WDVAZPNSKZRUHK-HUUCEWRRSA-N 2 1 260.381 2.214 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n21 ZINC000335634583 212349541 /nfs/dbraw/zinc/34/95/41/212349541.db2.gz PWKRUTZPYIRMRH-CVEARBPZSA-N 2 1 298.434 2.464 20 0 CEADMP Cn1c2ccccc2cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1=O ZINC000335608919 212320735 /nfs/dbraw/zinc/32/07/35/212320735.db2.gz DDXKSSPFZMMERO-CVEARBPZSA-N 2 1 299.418 2.288 20 0 CEADMP COc1ccc(OCC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000118843198 365184870 /nfs/dbraw/zinc/18/48/70/365184870.db2.gz LWXKIGNKWWHJGJ-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP COc1ccc(OCC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000118843198 365184874 /nfs/dbraw/zinc/18/48/74/365184874.db2.gz LWXKIGNKWWHJGJ-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP COc1ccc(OCC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000118843198 365184878 /nfs/dbraw/zinc/18/48/78/365184878.db2.gz LWXKIGNKWWHJGJ-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000245224744 370806849 /nfs/dbraw/zinc/80/68/49/370806849.db2.gz CQNLRBNMBFCTNE-LTIDMASMSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000245224744 370806850 /nfs/dbraw/zinc/80/68/50/370806850.db2.gz CQNLRBNMBFCTNE-LTIDMASMSA-N 3 1 281.488 2.427 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C)[C@@H]1CO ZINC000119143486 365224287 /nfs/dbraw/zinc/22/42/87/365224287.db2.gz MZRDDJUGSYRJLK-ZFWWWQNUSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C)[C@@H]1CO ZINC000119143486 365224292 /nfs/dbraw/zinc/22/42/92/365224292.db2.gz MZRDDJUGSYRJLK-ZFWWWQNUSA-N 2 1 265.401 2.065 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000245224818 370806968 /nfs/dbraw/zinc/80/69/68/370806968.db2.gz FTZSDNCEGOWZGK-XOUADPBQSA-N 2 1 274.408 2.308 20 0 CEADMP C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000245224744 370806848 /nfs/dbraw/zinc/80/68/48/370806848.db2.gz CQNLRBNMBFCTNE-LTIDMASMSA-N 2 1 281.488 2.427 20 0 CEADMP c1nc2c(n1-c1ccccc1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000336054900 365345634 /nfs/dbraw/zinc/34/56/34/365345634.db2.gz TVVLEUUYUQJOKY-UHFFFAOYSA-N 2 1 296.418 2.230 20 0 CEADMP Cc1cnccc1NC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000120302939 365403821 /nfs/dbraw/zinc/40/38/21/365403821.db2.gz GLYHUKANMCHVDN-ZDUSSCGKSA-N 2 1 288.351 2.407 20 0 CEADMP Cc1cnccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000120473376 365429852 /nfs/dbraw/zinc/42/98/52/365429852.db2.gz WYQARCXKGDJEGJ-OLZOCXBDSA-N 2 1 274.368 2.090 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc[nH]c(=O)c1 ZINC000340450255 366889495 /nfs/dbraw/zinc/88/94/95/366889495.db2.gz QBPMGQJNELRZEH-UBHSHLNASA-N 2 1 261.369 2.065 20 0 CEADMP C[C@@H]([NH2+]Cc1ccncc1OCC(F)F)[C@H]1CCC[NH2+]C1 ZINC000582600268 366931259 /nfs/dbraw/zinc/93/12/59/366931259.db2.gz KXSNBRMHZAOYSM-NEPJUHHUSA-N 2 1 299.365 2.203 20 0 CEADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000342964113 216617695 /nfs/dbraw/zinc/61/76/95/216617695.db2.gz WGKDHKKRHPNVKM-CVEARBPZSA-N 2 1 297.487 2.011 20 0 CEADMP C(COCC1CCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000680935827 541476696 /nfs/dbraw/zinc/47/66/96/541476696.db2.gz JQWXCWNBCTWTLQ-LSDHHAIUSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000680993978 541485239 /nfs/dbraw/zinc/48/52/39/541485239.db2.gz ROMSLVLYVKZOHI-PBHICJAKSA-N 2 1 287.407 2.336 20 0 CEADMP CC(C)OC1CC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000582873096 366970370 /nfs/dbraw/zinc/97/03/70/366970370.db2.gz NDYNTYWTWSRPEB-NFOMZHRRSA-N 2 1 254.418 2.262 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000340682732 366984729 /nfs/dbraw/zinc/98/47/29/366984729.db2.gz OFMUOGDKHMDCME-INIZCTEOSA-N 2 1 259.397 2.008 20 0 CEADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000583494041 367057591 /nfs/dbraw/zinc/05/75/91/367057591.db2.gz FUPPBWGPKIRPOX-XJKSGUPXSA-N 2 1 290.407 2.041 20 0 CEADMP Cc1cnc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)n1C ZINC000341097506 367172468 /nfs/dbraw/zinc/17/24/68/367172468.db2.gz WOLYKMRHGZPIIO-CQSZACIVSA-N 2 1 278.444 2.330 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C[C@@H]1C ZINC000357578958 370822386 /nfs/dbraw/zinc/82/23/86/370822386.db2.gz GFBILZGQQFYOMV-MELADBBJSA-N 2 1 283.460 2.094 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000245629675 370851922 /nfs/dbraw/zinc/85/19/22/370851922.db2.gz PQQPQUCMEAJHGQ-ZWKOTPCHSA-N 2 1 287.451 2.459 20 0 CEADMP C[NH+]1CCC[C@H]1CCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000245629675 370851925 /nfs/dbraw/zinc/85/19/25/370851925.db2.gz PQQPQUCMEAJHGQ-ZWKOTPCHSA-N 2 1 287.451 2.459 20 0 CEADMP C[NH+]1CCC[C@H]1CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000245629675 370851928 /nfs/dbraw/zinc/85/19/28/370851928.db2.gz PQQPQUCMEAJHGQ-ZWKOTPCHSA-N 2 1 287.451 2.459 20 0 CEADMP C[C@@H](CC1CCCCC1)C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000357958257 370852496 /nfs/dbraw/zinc/85/24/96/370852496.db2.gz JNEVTLNROYSHGN-ZFWWWQNUSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@H](CC1CCCCC1)C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000357958257 370852499 /nfs/dbraw/zinc/85/24/99/370852499.db2.gz JNEVTLNROYSHGN-ZFWWWQNUSA-N 2 1 254.418 2.252 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](C)[C@H]1C ZINC000245703057 370860773 /nfs/dbraw/zinc/86/07/73/370860773.db2.gz XYBFHRGFKOTMEW-CHWSQXEVSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000245703057 370860777 /nfs/dbraw/zinc/86/07/77/370860777.db2.gz XYBFHRGFKOTMEW-CHWSQXEVSA-N 2 1 251.374 2.081 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C[NH+](C)C ZINC000341294663 367273130 /nfs/dbraw/zinc/27/31/30/367273130.db2.gz IBPPHMFQMUQGNU-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000163234698 367225311 /nfs/dbraw/zinc/22/53/11/367225311.db2.gz UZZSTNBBSJUDAV-GXTWGEPZSA-N 2 1 255.365 2.404 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCOCC(C)C)[C@H](C)C1 ZINC000163290508 367229023 /nfs/dbraw/zinc/22/90/23/367229023.db2.gz ACBFUKYHKHIYSY-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1ccc(Br)cc1OC ZINC000163316950 367231546 /nfs/dbraw/zinc/23/15/46/367231546.db2.gz FVMUIGQDRKGDDP-UHFFFAOYSA-N 2 1 287.201 2.157 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000163477590 367243819 /nfs/dbraw/zinc/24/38/19/367243819.db2.gz PWXQTHUUOGJQQX-JOYOIKCWSA-N 2 1 253.415 2.177 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000166049451 367317768 /nfs/dbraw/zinc/31/77/68/367317768.db2.gz VAGZORDMVRAHAY-ZNMIVQPWSA-N 2 1 295.471 2.001 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCCC1 ZINC000631564555 367403805 /nfs/dbraw/zinc/40/38/05/367403805.db2.gz TUUPEPHTBGFGRU-KKUMJFAQSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631669756 367475121 /nfs/dbraw/zinc/47/51/21/367475121.db2.gz NCSRVIAAUWKPTM-NRSFXHEJSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631669756 367475128 /nfs/dbraw/zinc/47/51/28/367475128.db2.gz NCSRVIAAUWKPTM-NRSFXHEJSA-N 2 1 288.435 2.258 20 0 CEADMP CCC1CC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000342672346 367477394 /nfs/dbraw/zinc/47/73/94/367477394.db2.gz CEGLAZWJNFTJGT-VJFUWPCTSA-N 2 1 288.435 2.402 20 0 CEADMP CCC1CC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000342672346 367477399 /nfs/dbraw/zinc/47/73/99/367477399.db2.gz CEGLAZWJNFTJGT-VJFUWPCTSA-N 2 1 288.435 2.402 20 0 CEADMP COCc1cnc(C[NH+]2CCC(CC[NH+](C)C)CC2)s1 ZINC000342634568 367462130 /nfs/dbraw/zinc/46/21/30/367462130.db2.gz KRFHCWQVWCKSCA-UHFFFAOYSA-N 2 1 297.468 2.453 20 0 CEADMP Cc1cc(C)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)n1 ZINC000631827977 367565995 /nfs/dbraw/zinc/56/59/95/367565995.db2.gz BGCJLKJLDXWMRJ-NHYWBVRUSA-N 2 1 261.413 2.424 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1cccc2c1OC(F)(F)O2 ZINC000631822529 367561538 /nfs/dbraw/zinc/56/15/38/367561538.db2.gz HGKVGXIPJDNAPU-QWRGUYRKSA-N 2 1 298.333 2.220 20 0 CEADMP c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c2c(c1)COCC2 ZINC000631733214 367508475 /nfs/dbraw/zinc/50/84/75/367508475.db2.gz ZVJBWJOMWBQGAA-UHFFFAOYSA-N 2 1 286.419 2.476 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000631755639 367524832 /nfs/dbraw/zinc/52/48/32/367524832.db2.gz DQHIVOSQTJMABK-LNFKQOIKSA-N 2 1 250.308 2.257 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000631755639 367524838 /nfs/dbraw/zinc/52/48/38/367524838.db2.gz DQHIVOSQTJMABK-LNFKQOIKSA-N 2 1 250.308 2.257 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1cccc3c1CCOC3)C2 ZINC000631830263 367568967 /nfs/dbraw/zinc/56/89/67/367568967.db2.gz NZUYNAAOZNMSBM-DOTOQJQBSA-N 2 1 272.392 2.073 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1cccc3c1CCOC3)C2 ZINC000631830263 367568971 /nfs/dbraw/zinc/56/89/71/367568971.db2.gz NZUYNAAOZNMSBM-DOTOQJQBSA-N 2 1 272.392 2.073 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000631832682 367571700 /nfs/dbraw/zinc/57/17/00/367571700.db2.gz LEEWRJGFJWXHSX-CQSZACIVSA-N 2 1 293.386 2.358 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000631832682 367571705 /nfs/dbraw/zinc/57/17/05/367571705.db2.gz LEEWRJGFJWXHSX-CQSZACIVSA-N 2 1 293.386 2.358 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CC[C@@H]1C(F)(F)F ZINC000631830520 367568726 /nfs/dbraw/zinc/56/87/26/367568726.db2.gz UQAIDGLLKZIFDF-WOPDTQHZSA-N 2 1 280.334 2.015 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CC[C@@H]1C(F)(F)F ZINC000631830520 367568735 /nfs/dbraw/zinc/56/87/35/367568735.db2.gz UQAIDGLLKZIFDF-WOPDTQHZSA-N 2 1 280.334 2.015 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1C[NH3+] ZINC000631841224 367582931 /nfs/dbraw/zinc/58/29/31/367582931.db2.gz ZVQNJLZWQDDZII-IUODEOHRSA-N 2 1 255.365 2.261 20 0 CEADMP C[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631842620 367583615 /nfs/dbraw/zinc/58/36/15/367583615.db2.gz CTTDDKRSKVHHFW-CHWSQXEVSA-N 2 1 266.360 2.121 20 0 CEADMP C[C@H]1C[N@@H+](CCCc2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC000631837039 367576623 /nfs/dbraw/zinc/57/66/23/367576623.db2.gz LXZDQDYZVCQWOH-RYUDHWBXSA-N 2 1 268.351 2.424 20 0 CEADMP COc1ccc(OCCC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000631868918 367602732 /nfs/dbraw/zinc/60/27/32/367602732.db2.gz CMHLVLWVRBIVCX-PBHICJAKSA-N 2 1 290.407 2.196 20 0 CEADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCOCCc1ccccc1 ZINC000631858787 367595228 /nfs/dbraw/zinc/59/52/28/367595228.db2.gz DMHBKPJIARSTNJ-HOCLYGCPSA-N 2 1 262.397 2.057 20 0 CEADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCOCCc1ccccc1 ZINC000631858787 367595236 /nfs/dbraw/zinc/59/52/36/367595236.db2.gz DMHBKPJIARSTNJ-HOCLYGCPSA-N 2 1 262.397 2.057 20 0 CEADMP CC[N@H+]1C[C@H](N[C@H](CCO)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000343102471 367670231 /nfs/dbraw/zinc/67/02/31/367670231.db2.gz LCFHAEVRHKTHFP-XKQJLSEDSA-N 2 1 292.423 2.049 20 0 CEADMP CC[N@@H+]1C[C@H](N[C@H](CCO)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000343102471 367670237 /nfs/dbraw/zinc/67/02/37/367670237.db2.gz LCFHAEVRHKTHFP-XKQJLSEDSA-N 2 1 292.423 2.049 20 0 CEADMP CC[N@@H+]1C[C@H](NCCC[NH+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000343112048 367673162 /nfs/dbraw/zinc/67/31/62/367673162.db2.gz WEXJPXMYECHNEZ-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1C[C@H](NCCC[N@@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000343112048 367673168 /nfs/dbraw/zinc/67/31/68/367673168.db2.gz WEXJPXMYECHNEZ-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1C[C@H](NCCC[N@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000343112048 367673174 /nfs/dbraw/zinc/67/31/74/367673174.db2.gz WEXJPXMYECHNEZ-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP c1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000343255161 367727675 /nfs/dbraw/zinc/72/76/75/367727675.db2.gz WLAQGKYFHXTBGL-KURKYZTESA-N 2 1 288.435 2.366 20 0 CEADMP Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)o1 ZINC000245745951 370868585 /nfs/dbraw/zinc/86/85/85/370868585.db2.gz XYJJGXVMQYLCAM-NTZNESFSSA-N 2 1 275.356 2.219 20 0 CEADMP Cc1nnc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)o1 ZINC000245745951 370868590 /nfs/dbraw/zinc/86/85/90/370868590.db2.gz XYJJGXVMQYLCAM-NTZNESFSSA-N 2 1 275.356 2.219 20 0 CEADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC1CCCC1 ZINC000343505978 367850890 /nfs/dbraw/zinc/85/08/90/367850890.db2.gz FQRMNSMBRZTDIC-GVDBMIGSSA-N 2 1 280.456 2.392 20 0 CEADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000343464319 367829268 /nfs/dbraw/zinc/82/92/68/367829268.db2.gz UHNAHPYUBIIYSS-OWCLPIDISA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000174223349 367999577 /nfs/dbraw/zinc/99/95/77/367999577.db2.gz IAHARTXSBTVADT-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000173885933 367954815 /nfs/dbraw/zinc/95/48/15/367954815.db2.gz XOHONSDNKMMPQQ-OAHLLOKOSA-N 2 1 290.407 2.231 20 0 CEADMP CC[C@]1(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000343836956 368032194 /nfs/dbraw/zinc/03/21/94/368032194.db2.gz VSYJXZQCQWILHG-NVXWUHKLSA-N 2 1 295.471 2.289 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000344227126 368115558 /nfs/dbraw/zinc/11/55/58/368115558.db2.gz VDZBTMPETHRBAX-YHUYYLMFSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000344227126 368115559 /nfs/dbraw/zinc/11/55/59/368115559.db2.gz VDZBTMPETHRBAX-YHUYYLMFSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000345331749 368237979 /nfs/dbraw/zinc/23/79/79/368237979.db2.gz YBPOPYWXUQMZBH-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179244070 368329250 /nfs/dbraw/zinc/32/92/50/368329250.db2.gz TVTSDBZRDYIJPR-HZPDHXFCSA-N 2 1 265.445 2.031 20 0 CEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(-n2ccnn2)cc1 ZINC000182056125 368519700 /nfs/dbraw/zinc/51/97/00/368519700.db2.gz RSPZNPZAZYOEIB-GDBMZVCRSA-N 2 1 299.422 2.402 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@H]1CCOC1 ZINC000346198219 368588010 /nfs/dbraw/zinc/58/80/10/368588010.db2.gz GAFBMYQKTJIVON-CQSZACIVSA-N 2 1 286.379 2.044 20 0 CEADMP C[C@@H](c1cnccn1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000184526761 368701404 /nfs/dbraw/zinc/70/14/04/368701404.db2.gz XXEVRUAJORZLII-ZDUSSCGKSA-N 2 1 285.395 2.226 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)C1CCOCC1 ZINC000358087036 370898843 /nfs/dbraw/zinc/89/88/43/370898843.db2.gz XFBSCDGIZPISIL-STQMWFEESA-N 2 1 265.401 2.232 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000346631891 368742264 /nfs/dbraw/zinc/74/22/64/368742264.db2.gz DBCZCBUCUSQWIE-MNOVXSKESA-N 2 1 276.409 2.307 20 0 CEADMP COc1ccc([C@@H](CCO)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000246122250 370912019 /nfs/dbraw/zinc/91/20/19/370912019.db2.gz QSTLSRAYQIQFPT-NVXWUHKLSA-N 2 1 292.423 2.193 20 0 CEADMP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC000358125977 370915345 /nfs/dbraw/zinc/91/53/45/370915345.db2.gz ZOMZBCULRSKYAJ-VGWMRTNUSA-N 2 1 268.445 2.103 20 0 CEADMP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC000358125977 370915348 /nfs/dbraw/zinc/91/53/48/370915348.db2.gz ZOMZBCULRSKYAJ-VGWMRTNUSA-N 2 1 268.445 2.103 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000246325234 370946510 /nfs/dbraw/zinc/94/65/10/370946510.db2.gz FRRGTZMVORYVMI-RDBSUJKOSA-N 2 1 254.418 2.264 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000346690351 368773226 /nfs/dbraw/zinc/77/32/26/368773226.db2.gz SPHKFYJDMHOBPC-UHFFFAOYSA-N 2 1 270.380 2.247 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346640143 368746875 /nfs/dbraw/zinc/74/68/75/368746875.db2.gz AHWRSHYSLUZECE-DZGCQCFKSA-N 2 1 284.407 2.350 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000346651132 368752359 /nfs/dbraw/zinc/75/23/59/368752359.db2.gz GYQGESDYCFRVMM-YPMHNXCESA-N 2 1 288.370 2.385 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC2([NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000347189980 368803271 /nfs/dbraw/zinc/80/32/71/368803271.db2.gz AXNZQRYKZQUCSD-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC000634680820 368810730 /nfs/dbraw/zinc/81/07/30/368810730.db2.gz BUSTYLIOBVYQLZ-XHSDSOJGSA-N 2 1 298.471 2.423 20 0 CEADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634684114 368812523 /nfs/dbraw/zinc/81/25/23/368812523.db2.gz ICBSGMGLQWLPMQ-CYBMUJFWSA-N 2 1 254.418 2.408 20 0 CEADMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634684114 368812526 /nfs/dbraw/zinc/81/25/26/368812526.db2.gz ICBSGMGLQWLPMQ-CYBMUJFWSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634685158 368814066 /nfs/dbraw/zinc/81/40/66/368814066.db2.gz IDUIZRDDYZBTCT-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cccc3ncccc23)C[C@H]1C[NH3+] ZINC000634688077 368816809 /nfs/dbraw/zinc/81/68/09/368816809.db2.gz HQYJGUITWAAZGY-RHSMWYFYSA-N 2 1 285.391 2.030 20 0 CEADMP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1)[NH+](CC)CC ZINC000347928818 368828184 /nfs/dbraw/zinc/82/81/84/368828184.db2.gz JDDMLRJCIIZFAA-CABCVRRESA-N 2 1 283.460 2.096 20 0 CEADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634644423 368793280 /nfs/dbraw/zinc/79/32/80/368793280.db2.gz VCRJTGSNSOFNEP-QAPCUYQASA-N 2 1 288.435 2.259 20 0 CEADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634644423 368793284 /nfs/dbraw/zinc/79/32/84/368793284.db2.gz VCRJTGSNSOFNEP-QAPCUYQASA-N 2 1 288.435 2.259 20 0 CEADMP C[C@H](CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OCc1ccccc1 ZINC000682755552 541709677 /nfs/dbraw/zinc/70/96/77/541709677.db2.gz RYJROJBUFSCHOL-OIISXLGYSA-N 2 1 274.408 2.133 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(-n2ccnn2)c1 ZINC000348107222 368900858 /nfs/dbraw/zinc/90/08/58/368900858.db2.gz VKJDHEBTIMNFEQ-ZDUSSCGKSA-N 2 1 285.395 2.012 20 0 CEADMP OC[C@H](C1CC1)[N@H+](Cc1ccccc1)CC12CC(C1)C[NH2+]2 ZINC000634993773 369022786 /nfs/dbraw/zinc/02/27/86/369022786.db2.gz GECUCBXKHPBASG-IIIMJFFVSA-N 2 1 286.419 2.012 20 0 CEADMP OC[C@H](C1CC1)[N@@H+](Cc1ccccc1)CC12CC(C1)C[NH2+]2 ZINC000634993773 369022792 /nfs/dbraw/zinc/02/27/92/369022792.db2.gz GECUCBXKHPBASG-IIIMJFFVSA-N 2 1 286.419 2.012 20 0 CEADMP C[C@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)CCc2ccccc21 ZINC000634996961 369026743 /nfs/dbraw/zinc/02/67/43/369026743.db2.gz ZWQPXSKZJAKZMX-CBCUQQMYSA-N 2 1 256.393 2.400 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)C[C@H]1C[NH3+] ZINC000634998185 369029309 /nfs/dbraw/zinc/02/93/09/369029309.db2.gz BZPPMWQSQGZIJI-WDEREUQCSA-N 2 1 276.409 2.165 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnc(C(C)(C)C)s2)C[C@H]1C[NH3+] ZINC000634999350 369033542 /nfs/dbraw/zinc/03/35/42/369033542.db2.gz SUFNUIADWCCXRU-GHMZBOCLSA-N 2 1 267.442 2.467 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(C(C)(C)C)s2)C[C@H]1C[NH3+] ZINC000634999350 369033549 /nfs/dbraw/zinc/03/35/49/369033549.db2.gz SUFNUIADWCCXRU-GHMZBOCLSA-N 2 1 267.442 2.467 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2C2CCCCC2)C[C@H]1C[NH3+] ZINC000634999360 369034089 /nfs/dbraw/zinc/03/40/89/369034089.db2.gz SYYUQDFOHCNBTN-UKRRQHHQSA-N 2 1 290.455 2.494 20 0 CEADMP CCCNC(=O)C[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000348412958 369039099 /nfs/dbraw/zinc/03/90/99/369039099.db2.gz ZZLGIHXKGDTMNL-CABCVRRESA-N 2 1 283.460 2.003 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008205 369044564 /nfs/dbraw/zinc/04/45/64/369044564.db2.gz RWWFVZUIHYNZDJ-OCCSQVGLSA-N 2 1 290.455 2.278 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(CO)c2ccccc2)[C@H](C)C1 ZINC000348288784 368986902 /nfs/dbraw/zinc/98/69/02/368986902.db2.gz KAOUCIWUWBINOH-BPQIPLTHSA-N 2 1 290.451 2.257 20 0 CEADMP Cc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)n1 ZINC000187074686 369097509 /nfs/dbraw/zinc/09/75/09/369097509.db2.gz ISVNJSPTQHMNSE-OAHLLOKOSA-N 2 1 261.413 2.472 20 0 CEADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)n1 ZINC000187074686 369097512 /nfs/dbraw/zinc/09/75/12/369097512.db2.gz ISVNJSPTQHMNSE-OAHLLOKOSA-N 2 1 261.413 2.472 20 0 CEADMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000187074686 369097516 /nfs/dbraw/zinc/09/75/16/369097516.db2.gz ISVNJSPTQHMNSE-OAHLLOKOSA-N 2 1 261.413 2.472 20 0 CEADMP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000187074686 369097519 /nfs/dbraw/zinc/09/75/19/369097519.db2.gz ISVNJSPTQHMNSE-OAHLLOKOSA-N 2 1 261.413 2.472 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@@H]2CCC[C@H]21 ZINC000635011831 369049764 /nfs/dbraw/zinc/04/97/64/369049764.db2.gz PKNMLFKKVRVHIP-FXUDXRNXSA-N 3 1 279.472 2.227 20 0 CEADMP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)[C@@H]2CCC[C@H]21 ZINC000635011831 369049770 /nfs/dbraw/zinc/04/97/70/369049770.db2.gz PKNMLFKKVRVHIP-FXUDXRNXSA-N 2 1 279.472 2.227 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)[C@@H]2CCC[C@H]21 ZINC000635011831 369049774 /nfs/dbraw/zinc/04/97/74/369049774.db2.gz PKNMLFKKVRVHIP-FXUDXRNXSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)c2nccn21 ZINC000635011996 369050242 /nfs/dbraw/zinc/05/02/42/369050242.db2.gz SBUVJALCYBQGNF-BLLLJJGKSA-N 2 1 282.391 2.324 20 0 CEADMP COC[C@H](C)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000187371000 369147077 /nfs/dbraw/zinc/14/70/77/369147077.db2.gz WLNPSDPMNFDYIJ-HUUCEWRRSA-N 2 1 254.418 2.077 20 0 CEADMP [NH3+]CCC[N@@H+](CCOCC(F)F)Cc1ccccc1 ZINC000348756380 369143862 /nfs/dbraw/zinc/14/38/62/369143862.db2.gz OAQRZTKCLSLHAH-UHFFFAOYSA-N 2 1 272.339 2.119 20 0 CEADMP C[NH+](C)CCc1ccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000635488993 369191280 /nfs/dbraw/zinc/19/12/80/369191280.db2.gz IHQULVKCGDYJTA-HNNXBMFYSA-N 2 1 289.423 2.071 20 0 CEADMP C[N@H+](C/C=C\c1ccccc1)CCCN1CC[NH+](C)CC1 ZINC000349289626 369288963 /nfs/dbraw/zinc/28/89/63/369288963.db2.gz WNQKISOORTXABV-POHAHGRESA-N 2 1 287.451 2.269 20 0 CEADMP C[N@@H+](CCCNC(=O)c1c[nH+]ccc1N)C1CCCCC1 ZINC000188074578 369291140 /nfs/dbraw/zinc/29/11/40/369291140.db2.gz NXMSSYCDXJRQAP-UHFFFAOYSA-N 2 1 290.411 2.048 20 0 CEADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000349664518 369364835 /nfs/dbraw/zinc/36/48/35/369364835.db2.gz MEAUSXAMFHWQIH-NTZNESFSSA-N 2 1 267.442 2.485 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000349958254 369465248 /nfs/dbraw/zinc/46/52/48/369465248.db2.gz ARGNVJLOHGGCAY-GOEBONIOSA-N 2 1 268.445 2.323 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(SC)CCOCC2)[C@@H](C)C1 ZINC000246373555 370952427 /nfs/dbraw/zinc/95/24/27/370952427.db2.gz JMXJHGOAXDOLKQ-KBPBESRZSA-N 2 1 286.485 2.219 20 0 CEADMP O[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCc2ccccc21 ZINC000246412553 370957679 /nfs/dbraw/zinc/95/76/79/370957679.db2.gz MNKHRZAQQQQLIC-BQFCYCMXSA-N 2 1 286.419 2.037 20 0 CEADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358247082 370970058 /nfs/dbraw/zinc/97/00/58/370970058.db2.gz CZDHQBUZJHVTLI-SJORKVTESA-N 2 1 294.414 2.049 20 0 CEADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358247082 370970063 /nfs/dbraw/zinc/97/00/63/370970063.db2.gz CZDHQBUZJHVTLI-SJORKVTESA-N 2 1 294.414 2.049 20 0 CEADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358247715 370970479 /nfs/dbraw/zinc/97/04/79/370970479.db2.gz FMFGASZACLSQPC-FRFSOERESA-N 2 1 274.408 2.200 20 0 CEADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358247715 370970485 /nfs/dbraw/zinc/97/04/85/370970485.db2.gz FMFGASZACLSQPC-FRFSOERESA-N 2 1 274.408 2.200 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc(C)c1F ZINC000358254382 370974389 /nfs/dbraw/zinc/97/43/89/370974389.db2.gz PKSYXXXNFDCUPD-XJKSGUPXSA-N 2 1 280.387 2.160 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc(C)c1F ZINC000358254382 370974393 /nfs/dbraw/zinc/97/43/93/370974393.db2.gz PKSYXXXNFDCUPD-XJKSGUPXSA-N 2 1 280.387 2.160 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000358254440 370975162 /nfs/dbraw/zinc/97/51/62/370975162.db2.gz PPDHKXOYKUWRHC-IIPZCPRCSA-N 2 1 292.467 2.248 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000358254440 370975166 /nfs/dbraw/zinc/97/51/66/370975166.db2.gz PPDHKXOYKUWRHC-IIPZCPRCSA-N 2 1 292.467 2.248 20 0 CEADMP COCCOCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246455077 370963373 /nfs/dbraw/zinc/96/33/73/370963373.db2.gz FPWSQGMJPGANBP-IRXDYDNUSA-N 2 1 298.471 2.236 20 0 CEADMP COCCOCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246455077 370963379 /nfs/dbraw/zinc/96/33/79/370963379.db2.gz FPWSQGMJPGANBP-IRXDYDNUSA-N 2 1 298.471 2.236 20 0 CEADMP COCCOCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246455077 370963380 /nfs/dbraw/zinc/96/33/80/370963380.db2.gz FPWSQGMJPGANBP-IRXDYDNUSA-N 2 1 298.471 2.236 20 0 CEADMP COCCOCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000246455077 370963382 /nfs/dbraw/zinc/96/33/82/370963382.db2.gz FPWSQGMJPGANBP-IRXDYDNUSA-N 2 1 298.471 2.236 20 0 CEADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358265618 370982460 /nfs/dbraw/zinc/98/24/60/370982460.db2.gz ZZWNSCPFBWSSNT-CRAIPNDOSA-N 2 1 290.451 2.399 20 0 CEADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358265618 370982463 /nfs/dbraw/zinc/98/24/63/370982463.db2.gz ZZWNSCPFBWSSNT-CRAIPNDOSA-N 2 1 290.451 2.399 20 0 CEADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358259406 370978790 /nfs/dbraw/zinc/97/87/90/370978790.db2.gz WWVANHKDENTBIH-DLBZAZTESA-N 2 1 276.424 2.054 20 0 CEADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358259406 370978794 /nfs/dbraw/zinc/97/87/94/370978794.db2.gz WWVANHKDENTBIH-DLBZAZTESA-N 2 1 276.424 2.054 20 0 CEADMP Cc1ccc(C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C(C)C)cc1 ZINC000358261888 370980303 /nfs/dbraw/zinc/98/03/03/370980303.db2.gz ZWAFOXGBXGEMJS-ROUUACIJSA-N 2 1 290.451 2.218 20 0 CEADMP Cc1ccc(C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C(C)C)cc1 ZINC000358261888 370980305 /nfs/dbraw/zinc/98/03/05/370980305.db2.gz ZWAFOXGBXGEMJS-ROUUACIJSA-N 2 1 290.451 2.218 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC(OC(C)C)C1 ZINC000189515550 369529442 /nfs/dbraw/zinc/52/94/42/369529442.db2.gz WOAKEHYINMJBSY-GRTSSRMGSA-N 2 1 265.401 2.373 20 0 CEADMP CC[N@@H+](Cc1cccc2nccn21)C[C@H](O)C(F)(F)F ZINC000189873982 369574221 /nfs/dbraw/zinc/57/42/21/369574221.db2.gz CTIJWKDAOZWEAA-NSHDSACASA-N 2 1 287.285 2.079 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1C1CCCCC1)C1CC1 ZINC000351391081 369635197 /nfs/dbraw/zinc/63/51/97/369635197.db2.gz WHSPYMLDUJEQIU-DLBZAZTESA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1C1CCCCC1)C1CC1 ZINC000351391081 369635201 /nfs/dbraw/zinc/63/52/01/369635201.db2.gz WHSPYMLDUJEQIU-DLBZAZTESA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCCCC1)C1CC1 ZINC000351391081 369635205 /nfs/dbraw/zinc/63/52/05/369635205.db2.gz WHSPYMLDUJEQIU-DLBZAZTESA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1C1CCCCC1)C1CC1 ZINC000351391081 369635207 /nfs/dbraw/zinc/63/52/07/369635207.db2.gz WHSPYMLDUJEQIU-DLBZAZTESA-N 2 1 280.456 2.486 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351494296 369636513 /nfs/dbraw/zinc/63/65/13/369636513.db2.gz YFRFGYZCKFZANW-ZENOOKHLSA-N 2 1 268.445 2.341 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351494296 369636515 /nfs/dbraw/zinc/63/65/15/369636515.db2.gz YFRFGYZCKFZANW-ZENOOKHLSA-N 2 1 268.445 2.341 20 0 CEADMP CC[C@H](C)[C@@H](C)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000351494296 369636517 /nfs/dbraw/zinc/63/65/17/369636517.db2.gz YFRFGYZCKFZANW-ZENOOKHLSA-N 2 1 268.445 2.341 20 0 CEADMP CC[C@H](C)[C@@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351494296 369636519 /nfs/dbraw/zinc/63/65/19/369636519.db2.gz YFRFGYZCKFZANW-ZENOOKHLSA-N 2 1 268.445 2.341 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)c1ccsc1 ZINC000352018698 369661434 /nfs/dbraw/zinc/66/14/34/369661434.db2.gz BENXTKWSEBXQMJ-AWEZNQCLSA-N 2 1 279.409 2.356 20 0 CEADMP CC[NH+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC000352383176 369701461 /nfs/dbraw/zinc/70/14/61/369701461.db2.gz UVYOJVNROBGDGW-CQSZACIVSA-N 2 1 294.443 2.243 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCOCCOc1ccccc1 ZINC000352503549 369762198 /nfs/dbraw/zinc/76/21/98/369762198.db2.gz HMAFGMZVQNLNSP-INIZCTEOSA-N 2 1 292.423 2.285 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000352608825 369805225 /nfs/dbraw/zinc/80/52/25/369805225.db2.gz PAXHYCXFRBYZJM-DJIMGWMZSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)CCO1 ZINC000352608825 369805229 /nfs/dbraw/zinc/80/52/29/369805229.db2.gz PAXHYCXFRBYZJM-DJIMGWMZSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCO1 ZINC000352608825 369805234 /nfs/dbraw/zinc/80/52/34/369805234.db2.gz PAXHYCXFRBYZJM-DJIMGWMZSA-N 2 1 280.456 2.465 20 0 CEADMP CCn1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)cn1 ZINC000352535833 369776006 /nfs/dbraw/zinc/77/60/06/369776006.db2.gz VZNZITPMXYSBOU-UHFFFAOYSA-N 2 1 264.417 2.244 20 0 CEADMP CC(C)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352713064 369851146 /nfs/dbraw/zinc/85/11/46/369851146.db2.gz GQRJPSDBHJHIIC-UHFFFAOYSA-N 2 1 289.467 2.392 20 0 CEADMP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000352727720 369857645 /nfs/dbraw/zinc/85/76/45/369857645.db2.gz SZEHVFZXRJRYEK-GOEBONIOSA-N 2 1 296.480 2.315 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2occc21 ZINC000192851267 369862800 /nfs/dbraw/zinc/86/28/00/369862800.db2.gz BOXRVENKXKAFMD-GDBMZVCRSA-N 2 1 292.423 2.484 20 0 CEADMP C[C@H]1C[C@H](CC[NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352741969 369863966 /nfs/dbraw/zinc/86/39/66/369863966.db2.gz KLDBFJCLTLSXBU-QWHCGFSZSA-N 2 1 297.468 2.500 20 0 CEADMP COC[C@@H](C)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918882 369872034 /nfs/dbraw/zinc/87/20/34/369872034.db2.gz IGJANPYEOWQLNG-RDJZCZTQSA-N 2 1 276.424 2.381 20 0 CEADMP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000352813082 369890844 /nfs/dbraw/zinc/89/08/44/369890844.db2.gz JHIPFGDBLHIOOG-HZPDHXFCSA-N 2 1 259.397 2.360 20 0 CEADMP CCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000352813082 369890848 /nfs/dbraw/zinc/89/08/48/369890848.db2.gz JHIPFGDBLHIOOG-HZPDHXFCSA-N 2 1 259.397 2.360 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921261 369949784 /nfs/dbraw/zinc/94/97/84/369949784.db2.gz HLHVODWUDRLMAS-IXXDHKBRSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](CC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921261 369949790 /nfs/dbraw/zinc/94/97/90/369949790.db2.gz HLHVODWUDRLMAS-IXXDHKBRSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](CC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921261 369949795 /nfs/dbraw/zinc/94/97/95/369949795.db2.gz HLHVODWUDRLMAS-IXXDHKBRSA-N 2 1 252.402 2.113 20 0 CEADMP Cc1[nH+]ccc(N2CCC([N@@H+](C)CCCO)CC2)c1Cl ZINC000352851626 369913358 /nfs/dbraw/zinc/91/33/58/369913358.db2.gz XNWHQUDSSFWFLZ-UHFFFAOYSA-N 2 1 297.830 2.326 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000352912159 369946561 /nfs/dbraw/zinc/94/65/61/369946561.db2.gz RQTANVZIDVAUDP-DOTOQJQBSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@H]1CSC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000353014796 369982519 /nfs/dbraw/zinc/98/25/19/369982519.db2.gz FBGHWFQWOKXZAA-ONGXEEELSA-N 2 1 271.455 2.046 20 0 CEADMP CO[C@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1(C)C ZINC000353181100 370057413 /nfs/dbraw/zinc/05/74/13/370057413.db2.gz MGDYXSZSDUGHBM-KBPBESRZSA-N 2 1 263.385 2.051 20 0 CEADMP C[N@H+](Cc1ccc2nccnc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000637928989 370177277 /nfs/dbraw/zinc/17/72/77/370177277.db2.gz GQNFCRNHXRTXFA-HNNXBMFYSA-N 2 1 284.407 2.403 20 0 CEADMP C[NH+](Cc1ccc2nccnc2c1)C[C@H]1CCC[N@H+](C)C1 ZINC000637928989 370177281 /nfs/dbraw/zinc/17/72/81/370177281.db2.gz GQNFCRNHXRTXFA-HNNXBMFYSA-N 2 1 284.407 2.403 20 0 CEADMP C[NH+](Cc1ccc2nccnc2c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000637928989 370177283 /nfs/dbraw/zinc/17/72/83/370177283.db2.gz GQNFCRNHXRTXFA-HNNXBMFYSA-N 2 1 284.407 2.403 20 0 CEADMP CO[C@](C)(C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000637930949 370179232 /nfs/dbraw/zinc/17/92/32/370179232.db2.gz WMNJHGSUYDMMAL-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@](C)(C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000637930949 370179235 /nfs/dbraw/zinc/17/92/35/370179235.db2.gz WMNJHGSUYDMMAL-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353673022 370121992 /nfs/dbraw/zinc/12/19/92/370121992.db2.gz QVCXSVJVSAXHSD-XPABHHOTSA-N 2 1 252.402 2.016 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@@H]1C ZINC000353909434 370131753 /nfs/dbraw/zinc/13/17/53/370131753.db2.gz AUEIAZAPSWNIOW-QLFBSQMISA-N 2 1 284.444 2.284 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000195557207 370140895 /nfs/dbraw/zinc/14/08/95/370140895.db2.gz JTPIPHFYWWHHNE-NRSFXHEJSA-N 2 1 288.435 2.258 20 0 CEADMP CC[C@@H](C)[C@H](C[N@H+](C)C1CC[NH+](CC)CC1)OC ZINC000637887502 370147863 /nfs/dbraw/zinc/14/78/63/370147863.db2.gz TZCHJIZMZRINMA-HIFRSBDPSA-N 2 1 256.434 2.464 20 0 CEADMP CC[C@@H](C)[C@H](C[N@@H+](C)C1CC[NH+](CC)CC1)OC ZINC000637887502 370147865 /nfs/dbraw/zinc/14/78/65/370147865.db2.gz TZCHJIZMZRINMA-HIFRSBDPSA-N 2 1 256.434 2.464 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000353975477 370159842 /nfs/dbraw/zinc/15/98/42/370159842.db2.gz UZECOZIWDBDEGX-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000353975477 370159846 /nfs/dbraw/zinc/15/98/46/370159846.db2.gz UZECOZIWDBDEGX-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000353975477 370159850 /nfs/dbraw/zinc/15/98/50/370159850.db2.gz UZECOZIWDBDEGX-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CC2)CC[N@H+]1C ZINC000353974841 370159903 /nfs/dbraw/zinc/15/99/03/370159903.db2.gz SQNJWFOVSOVGQQ-ZJUUUORDSA-N 2 1 250.308 2.401 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000353986232 370164174 /nfs/dbraw/zinc/16/41/74/370164174.db2.gz HRWWMRPLKAQIFH-HRCADAONSA-N 2 1 265.445 2.077 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353986232 370164177 /nfs/dbraw/zinc/16/41/77/370164177.db2.gz HRWWMRPLKAQIFH-HRCADAONSA-N 2 1 265.445 2.077 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353986232 370164181 /nfs/dbraw/zinc/16/41/81/370164181.db2.gz HRWWMRPLKAQIFH-HRCADAONSA-N 2 1 265.445 2.077 20 0 CEADMP Cn1nc2c(c1C[N@@H+](C)CC1CC[NH+](C)CC1)CCCC2 ZINC000638029679 370254045 /nfs/dbraw/zinc/25/40/45/370254045.db2.gz RQDLQXPRNMAMAE-UHFFFAOYSA-N 2 1 290.455 2.073 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000223118705 370261385 /nfs/dbraw/zinc/26/13/85/370261385.db2.gz CTRBHNDWCQFEBO-GFCCVEGCSA-N 2 1 266.360 2.351 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000223118705 370261387 /nfs/dbraw/zinc/26/13/87/370261387.db2.gz CTRBHNDWCQFEBO-GFCCVEGCSA-N 2 1 266.360 2.351 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000354332198 370320552 /nfs/dbraw/zinc/32/05/52/370320552.db2.gz ULRLXWFLSPRAIK-ZQDZILKHSA-N 2 1 284.444 2.284 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000354332198 370320557 /nfs/dbraw/zinc/32/05/57/370320557.db2.gz ULRLXWFLSPRAIK-ZQDZILKHSA-N 2 1 284.444 2.284 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C1CCOCC1 ZINC000223842412 370271968 /nfs/dbraw/zinc/27/19/68/370271968.db2.gz LWYZQYTZVXFPPI-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000638068124 370277953 /nfs/dbraw/zinc/27/79/53/370277953.db2.gz BCCOWJAVIDXZGC-HNNXBMFYSA-N 2 1 283.460 2.131 20 0 CEADMP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000638070431 370280372 /nfs/dbraw/zinc/28/03/72/370280372.db2.gz XGJNGMURWNVWIH-ZNMIVQPWSA-N 2 1 283.460 2.129 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)[NH2+]CC)c2C1 ZINC000638090796 370292274 /nfs/dbraw/zinc/29/22/74/370292274.db2.gz YYOOKRIHGHERMJ-GFCCVEGCSA-N 2 1 275.396 2.349 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)[NH2+]CC)c2C1 ZINC000638090796 370292276 /nfs/dbraw/zinc/29/22/76/370292276.db2.gz YYOOKRIHGHERMJ-GFCCVEGCSA-N 2 1 275.396 2.349 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC[C@H]2CCO2)C1 ZINC000638128664 370323882 /nfs/dbraw/zinc/32/38/82/370323882.db2.gz WHQMJRQTDXCDIQ-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC[C@H]2CCO2)C1 ZINC000638128664 370323889 /nfs/dbraw/zinc/32/38/89/370323889.db2.gz WHQMJRQTDXCDIQ-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC[C@H]2CCO2)C1 ZINC000638128664 370323894 /nfs/dbraw/zinc/32/38/94/370323894.db2.gz WHQMJRQTDXCDIQ-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638110523 370306567 /nfs/dbraw/zinc/30/65/67/370306567.db2.gz GCERFTVHVLATKX-UKRRQHHQSA-N 2 1 293.455 2.051 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)n1 ZINC000228015789 370393279 /nfs/dbraw/zinc/39/32/79/370393279.db2.gz GMXSZXBGLQHOIU-WDEREUQCSA-N 2 1 264.373 2.028 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)n1 ZINC000228015789 370393283 /nfs/dbraw/zinc/39/32/83/370393283.db2.gz GMXSZXBGLQHOIU-WDEREUQCSA-N 2 1 264.373 2.028 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000354502973 370389724 /nfs/dbraw/zinc/38/97/24/370389724.db2.gz NTQFWXRKGFZRPD-OAHLLOKOSA-N 2 1 296.455 2.430 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000354502973 370389727 /nfs/dbraw/zinc/38/97/27/370389727.db2.gz NTQFWXRKGFZRPD-OAHLLOKOSA-N 2 1 296.455 2.430 20 0 CEADMP OCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638288930 370425207 /nfs/dbraw/zinc/42/52/07/370425207.db2.gz GBELUHZYNUSRFW-RDJZCZTQSA-N 2 1 274.408 2.327 20 0 CEADMP OCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638288930 370425210 /nfs/dbraw/zinc/42/52/10/370425210.db2.gz GBELUHZYNUSRFW-RDJZCZTQSA-N 2 1 274.408 2.327 20 0 CEADMP OCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638288928 370425224 /nfs/dbraw/zinc/42/52/24/370425224.db2.gz GBELUHZYNUSRFW-DOTOQJQBSA-N 2 1 274.408 2.327 20 0 CEADMP OCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638288928 370425227 /nfs/dbraw/zinc/42/52/27/370425227.db2.gz GBELUHZYNUSRFW-DOTOQJQBSA-N 2 1 274.408 2.327 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CCC[C@H]1CCO1 ZINC000638301705 370433296 /nfs/dbraw/zinc/43/32/96/370433296.db2.gz DLNUQYMFRDXWOB-GJZGRUSLSA-N 2 1 254.418 2.410 20 0 CEADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000355123944 370511073 /nfs/dbraw/zinc/51/10/73/370511073.db2.gz BNOVMLMATQIMKE-QGZVFWFLSA-N 2 1 296.418 2.397 20 0 CEADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000355123944 370511077 /nfs/dbraw/zinc/51/10/77/370511077.db2.gz BNOVMLMATQIMKE-QGZVFWFLSA-N 2 1 296.418 2.397 20 0 CEADMP C[N@H+](Cc1cc(O)cc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231460337 370480868 /nfs/dbraw/zinc/48/08/68/370480868.db2.gz JCTDWORMDUVNPW-ZDUSSCGKSA-N 2 1 252.333 2.105 20 0 CEADMP C[N@@H+](Cc1cc(O)cc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231460337 370480873 /nfs/dbraw/zinc/48/08/73/370480873.db2.gz JCTDWORMDUVNPW-ZDUSSCGKSA-N 2 1 252.333 2.105 20 0 CEADMP Cc1cc(C[NH2+]CCCn2cc[nH+]c2C)sn1 ZINC000638387849 370491886 /nfs/dbraw/zinc/49/18/86/370491886.db2.gz YXTZZVLRFPVADL-UHFFFAOYSA-N 2 1 250.371 2.136 20 0 CEADMP CC[C@H](C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1)[NH+](C)C ZINC000354888047 370497434 /nfs/dbraw/zinc/49/74/34/370497434.db2.gz RKJRCITVJAPXBL-OAHLLOKOSA-N 2 1 295.471 2.121 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)[C@@]12CCCO2 ZINC000354982974 370498465 /nfs/dbraw/zinc/49/84/65/370498465.db2.gz NATRLVWBJIAMES-NYXISSTPSA-N 2 1 296.455 2.031 20 0 CEADMP C([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638560265 370605718 /nfs/dbraw/zinc/60/57/18/370605718.db2.gz WGNITUIGLFORRF-MUJYYYPQSA-N 2 1 278.440 2.267 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000355582416 370605955 /nfs/dbraw/zinc/60/59/55/370605955.db2.gz JXQNLSSPBZVOPJ-LYSZQXJVSA-N 2 1 277.456 2.076 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]CCCc1cnn(C)c1 ZINC000638579250 370617294 /nfs/dbraw/zinc/61/72/94/370617294.db2.gz NVDYPUVWVWPXFI-GASCZTMLSA-N 2 1 278.444 2.205 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]CCCc1cnn(C)c1 ZINC000638579250 370617299 /nfs/dbraw/zinc/61/72/99/370617299.db2.gz NVDYPUVWVWPXFI-GASCZTMLSA-N 2 1 278.444 2.205 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000236754070 370620048 /nfs/dbraw/zinc/62/00/48/370620048.db2.gz FACHKKUHEDJLEX-GJZGRUSLSA-N 2 1 283.460 2.131 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCO2)[C@@H](C)C1 ZINC000638594257 370625181 /nfs/dbraw/zinc/62/51/81/370625181.db2.gz FCVPPRYBKCCPLV-ULQDDVLXSA-N 2 1 298.471 2.282 20 0 CEADMP COc1c[nH+]ccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000355644977 370609327 /nfs/dbraw/zinc/60/93/27/370609327.db2.gz CEJASMPPZQWIRQ-UHFFFAOYSA-N 2 1 289.404 2.474 20 0 CEADMP CO[C@@](C)(C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000639176007 371051126 /nfs/dbraw/zinc/05/11/26/371051126.db2.gz CCXODBNAKHYGOE-RDJZCZTQSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ncccc23)CC[N@H+]1C ZINC000358342046 371024277 /nfs/dbraw/zinc/02/42/77/371024277.db2.gz PFLOXKNPWLNMTB-GXTWGEPZSA-N 2 1 272.396 2.178 20 0 CEADMP C[C@@H]1CSCC[NH+]1C/C=C/C[N@@H+]1CCSC[C@H]1C ZINC000247006656 371045279 /nfs/dbraw/zinc/04/52/79/371045279.db2.gz ITQIDVQZONFQRF-LSMGEYOZSA-N 2 1 286.510 2.417 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H](C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000247105949 371064989 /nfs/dbraw/zinc/06/49/89/371064989.db2.gz SSYCNHBWIHBVMM-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCOC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358482278 371085288 /nfs/dbraw/zinc/08/52/88/371085288.db2.gz ISZXQWSQBRZHEY-SOUVJXGZSA-N 2 1 266.429 2.266 20 0 CEADMP CC1(C)CCC[N@@H+]1CC[NH2+]CCC1CCOCC1 ZINC000639243386 371138631 /nfs/dbraw/zinc/13/86/31/371138631.db2.gz WCLOMTMWGYWRQF-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP CC1(C)CCC[N@H+]1CC[NH2+]CCC1CCOCC1 ZINC000639243386 371138634 /nfs/dbraw/zinc/13/86/34/371138634.db2.gz WCLOMTMWGYWRQF-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP c1ccc(-c2nc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)no2)cc1 ZINC000358519021 371101382 /nfs/dbraw/zinc/10/13/82/371101382.db2.gz SEQPZOQMHGQSGR-UHFFFAOYSA-N 2 1 298.390 2.312 20 0 CEADMP c1ccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)no2)cc1 ZINC000358519021 371101389 /nfs/dbraw/zinc/10/13/89/371101389.db2.gz SEQPZOQMHGQSGR-UHFFFAOYSA-N 2 1 298.390 2.312 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccccc3)CC[C@H]21 ZINC000247979211 371152471 /nfs/dbraw/zinc/15/24/71/371152471.db2.gz IDMNFQXGIBLQCN-NVXWUHKLSA-N 2 1 274.408 2.482 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccccc3)CC[C@H]21 ZINC000247979211 371152473 /nfs/dbraw/zinc/15/24/73/371152473.db2.gz IDMNFQXGIBLQCN-NVXWUHKLSA-N 2 1 274.408 2.482 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccccc3)CC[C@H]21 ZINC000247979211 371152478 /nfs/dbraw/zinc/15/24/78/371152478.db2.gz IDMNFQXGIBLQCN-NVXWUHKLSA-N 2 1 274.408 2.482 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@](C)(O)c3ccccc3)CC[C@@H]21 ZINC000248024810 371155660 /nfs/dbraw/zinc/15/56/60/371155660.db2.gz ORUKBSRMDUBWCA-NJAFHUGGSA-N 2 1 288.435 2.310 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@](C)(O)c3ccccc3)CC[C@@H]21 ZINC000248024810 371155661 /nfs/dbraw/zinc/15/56/61/371155661.db2.gz ORUKBSRMDUBWCA-NJAFHUGGSA-N 2 1 288.435 2.310 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@](C)(O)c3ccccc3)CC[C@@H]21 ZINC000248024810 371155663 /nfs/dbraw/zinc/15/56/63/371155663.db2.gz ORUKBSRMDUBWCA-NJAFHUGGSA-N 2 1 288.435 2.310 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCCn3cccn3)CC[C@H]21 ZINC000248163627 371166986 /nfs/dbraw/zinc/16/69/86/371166986.db2.gz SNWWCFPUBDMBNU-IAGOWNOFSA-N 2 1 290.455 2.470 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCCn3cccn3)CC[C@H]21 ZINC000248163627 371166990 /nfs/dbraw/zinc/16/69/90/371166990.db2.gz SNWWCFPUBDMBNU-IAGOWNOFSA-N 2 1 290.455 2.470 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCCn3cccn3)CC[C@H]21 ZINC000248163627 371166996 /nfs/dbraw/zinc/16/69/96/371166996.db2.gz SNWWCFPUBDMBNU-IAGOWNOFSA-N 2 1 290.455 2.470 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000164709106 541847942 /nfs/dbraw/zinc/84/79/42/541847942.db2.gz BNUHXXCGORNWRH-CQSZACIVSA-N 3 1 278.444 2.292 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCC(C)(C)O2)CC[N@@H+]1C ZINC000248557317 371211775 /nfs/dbraw/zinc/21/17/75/371211775.db2.gz CPZMYEFOZKYQII-HZSPNIEDSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCC(C)(C)O2)CC[N@H+]1C ZINC000248557317 371211779 /nfs/dbraw/zinc/21/17/79/371211779.db2.gz CPZMYEFOZKYQII-HZSPNIEDSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCC(C)(C)O2)CC[NH+]1C ZINC000248557317 371211781 /nfs/dbraw/zinc/21/17/81/371211781.db2.gz CPZMYEFOZKYQII-HZSPNIEDSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCC(C)(C)O2)CC[NH+]1C ZINC000248557317 371211786 /nfs/dbraw/zinc/21/17/86/371211786.db2.gz CPZMYEFOZKYQII-HZSPNIEDSA-N 2 1 254.418 2.359 20 0 CEADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC ZINC000248865921 371258517 /nfs/dbraw/zinc/25/85/17/371258517.db2.gz HQNOEVIAOHNGKH-QWHCGFSZSA-N 2 1 270.417 2.038 20 0 CEADMP CO[C@](C)(C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000639345920 371258537 /nfs/dbraw/zinc/25/85/37/371258537.db2.gz CTHDXBOPIYOYHT-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCCO[C@@H]2CCCCO2)CC1 ZINC000358829558 371238966 /nfs/dbraw/zinc/23/89/66/371238966.db2.gz MOSKYDZFVHEMEO-MRXNPFEDSA-N 2 1 284.444 2.336 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCCO[C@@H]2CCCCO2)CC1 ZINC000358829558 371238971 /nfs/dbraw/zinc/23/89/71/371238971.db2.gz MOSKYDZFVHEMEO-MRXNPFEDSA-N 2 1 284.444 2.336 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2cccc(C)c2)[C@@H](C)C1 ZINC000248810863 371248136 /nfs/dbraw/zinc/24/81/36/371248136.db2.gz HPGXSPCUSJQPMS-JQHSSLGASA-N 2 1 290.451 2.218 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000248827652 371251702 /nfs/dbraw/zinc/25/17/02/371251702.db2.gz GRTGIRPZBIFUSI-YNBOMUFVSA-N 2 1 279.472 2.466 20 0 CEADMP CC[C@H]1CCCC[NH+]1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248827652 371251707 /nfs/dbraw/zinc/25/17/07/371251707.db2.gz GRTGIRPZBIFUSI-YNBOMUFVSA-N 2 1 279.472 2.466 20 0 CEADMP CC[C@H]1CCCC[NH+]1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248827652 371251714 /nfs/dbraw/zinc/25/17/14/371251714.db2.gz GRTGIRPZBIFUSI-YNBOMUFVSA-N 2 1 279.472 2.466 20 0 CEADMP CCN(C)c1ccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cn1 ZINC000248837827 371254473 /nfs/dbraw/zinc/25/44/73/371254473.db2.gz KLMSOUMTGJFINE-ZBFHGGJFSA-N 2 1 290.455 2.452 20 0 CEADMP CCN(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cn1 ZINC000248837827 371254476 /nfs/dbraw/zinc/25/44/76/371254476.db2.gz KLMSOUMTGJFINE-ZBFHGGJFSA-N 2 1 290.455 2.452 20 0 CEADMP CCOC1CC(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000249054185 371287244 /nfs/dbraw/zinc/28/72/44/371287244.db2.gz IMENCXNKUANYGC-LQULJDIASA-N 2 1 254.418 2.264 20 0 CEADMP CCOC1CC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000249054182 371287774 /nfs/dbraw/zinc/28/77/74/371287774.db2.gz IMENCXNKUANYGC-FGZQJIAISA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000249106044 371294367 /nfs/dbraw/zinc/29/43/67/371294367.db2.gz PJJFJOCRVWMWNF-KBMXLJTQSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000249106044 371294375 /nfs/dbraw/zinc/29/43/75/371294375.db2.gz PJJFJOCRVWMWNF-KBMXLJTQSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000248976024 371278105 /nfs/dbraw/zinc/27/81/05/371278105.db2.gz DXIHPINBDXHCTC-VGWMRTNUSA-N 2 1 295.471 2.083 20 0 CEADMP C[N@H+](Cc1cc(F)cc(F)c1)[C@H]1CN2CCC1CC2 ZINC000639395568 371306529 /nfs/dbraw/zinc/30/65/29/371306529.db2.gz CHCJSIRIXBXZLK-HNNXBMFYSA-N 2 1 266.335 2.491 20 0 CEADMP C[N@@H+](Cc1cc(F)cc(F)c1)[C@H]1CN2CCC1CC2 ZINC000639395568 371306536 /nfs/dbraw/zinc/30/65/36/371306536.db2.gz CHCJSIRIXBXZLK-HNNXBMFYSA-N 2 1 266.335 2.491 20 0 CEADMP CC[N@@H+](CC1CC1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000639487653 371356697 /nfs/dbraw/zinc/35/66/97/371356697.db2.gz REWBBVRUHFNTEI-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP CC[N@H+](CC1CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639487653 371356700 /nfs/dbraw/zinc/35/67/00/371356700.db2.gz REWBBVRUHFNTEI-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP CC[N@@H+](CC1CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639487653 371356703 /nfs/dbraw/zinc/35/67/03/371356703.db2.gz REWBBVRUHFNTEI-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP CC[NH+](CC1CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639487653 371356705 /nfs/dbraw/zinc/35/67/05/371356705.db2.gz REWBBVRUHFNTEI-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP CC[NH+](CC1CC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639487653 371356709 /nfs/dbraw/zinc/35/67/09/371356709.db2.gz REWBBVRUHFNTEI-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000249811502 371364568 /nfs/dbraw/zinc/36/45/68/371364568.db2.gz CIBXIVYLIVHASX-HOTGVXAUSA-N 2 1 297.487 2.474 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000249811502 371364576 /nfs/dbraw/zinc/36/45/76/371364576.db2.gz CIBXIVYLIVHASX-HOTGVXAUSA-N 2 1 297.487 2.474 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000249600782 371344920 /nfs/dbraw/zinc/34/49/20/371344920.db2.gz YCXMYQRHDWTPKG-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)O2 ZINC000250843673 371392706 /nfs/dbraw/zinc/39/27/06/371392706.db2.gz HBPYKMBXAXXPMO-OWCLPIDISA-N 2 1 272.392 2.207 20 0 CEADMP CC(C)C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])N(C)C ZINC000251383871 371400368 /nfs/dbraw/zinc/40/03/68/371400368.db2.gz IFFBIKVGEXMCJK-RRFJBIMHSA-N 2 1 255.450 2.070 20 0 CEADMP FC(F)(F)[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000251333906 371400780 /nfs/dbraw/zinc/40/07/80/371400780.db2.gz PKEFWOHKLITUSZ-GHMZBOCLSA-N 2 1 250.308 2.260 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC[N@@H+]1C ZINC000251740180 371415055 /nfs/dbraw/zinc/41/50/55/371415055.db2.gz CTAGHJMKELVVFL-UXXRCYHCSA-N 2 1 266.429 2.262 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC[N@H+]1C ZINC000251740180 371415062 /nfs/dbraw/zinc/41/50/62/371415062.db2.gz CTAGHJMKELVVFL-UXXRCYHCSA-N 2 1 266.429 2.262 20 0 CEADMP COC[C@H](C)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000249937033 371371802 /nfs/dbraw/zinc/37/18/02/371371802.db2.gz SIDCLVQAMPGJLW-FMKPAKJESA-N 2 1 266.429 2.218 20 0 CEADMP COC[C@H](C)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000249937033 371371806 /nfs/dbraw/zinc/37/18/06/371371806.db2.gz SIDCLVQAMPGJLW-FMKPAKJESA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)c1nc2c(n1C)CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000359198774 371372337 /nfs/dbraw/zinc/37/23/37/371372337.db2.gz WUQHMUIGNMNZPK-UHFFFAOYSA-N 2 1 290.455 2.291 20 0 CEADMP C[N@@H+](CCN[C@H]1CC[NH+]2CCC[C@H]2C1)C1CCCC1 ZINC000250002338 371374762 /nfs/dbraw/zinc/37/47/62/371374762.db2.gz RSMPBMDSEKHIOW-HOCLYGCPSA-N 2 1 265.445 2.077 20 0 CEADMP C[NH+](CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000250002338 371374767 /nfs/dbraw/zinc/37/47/67/371374767.db2.gz RSMPBMDSEKHIOW-HOCLYGCPSA-N 2 1 265.445 2.077 20 0 CEADMP C[NH+](CCN[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000250002338 371374773 /nfs/dbraw/zinc/37/47/73/371374773.db2.gz RSMPBMDSEKHIOW-HOCLYGCPSA-N 2 1 265.445 2.077 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CC[NH2+]CC2)C[C@H]1C ZINC000359209811 371377134 /nfs/dbraw/zinc/37/71/34/371377134.db2.gz LHADMAFJOCQFLX-GDBMZVCRSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)C[C@H]1C ZINC000359209811 371377139 /nfs/dbraw/zinc/37/71/39/371377139.db2.gz LHADMAFJOCQFLX-GDBMZVCRSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)C[C@H]1C ZINC000359209811 371377142 /nfs/dbraw/zinc/37/71/42/371377142.db2.gz LHADMAFJOCQFLX-GDBMZVCRSA-N 3 1 267.461 2.181 20 0 CEADMP CCN1CC[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)C[C@H]1C ZINC000359209811 371377146 /nfs/dbraw/zinc/37/71/46/371377146.db2.gz LHADMAFJOCQFLX-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)C[C@H]1C ZINC000359209811 371377149 /nfs/dbraw/zinc/37/71/49/371377149.db2.gz LHADMAFJOCQFLX-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000252854990 371484103 /nfs/dbraw/zinc/48/41/03/371484103.db2.gz JYRREUKVWKXBFD-AVGNSLFASA-N 2 1 265.426 2.319 20 0 CEADMP COc1ccccc1OCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252880034 371487340 /nfs/dbraw/zinc/48/73/40/371487340.db2.gz YDLMVVAMPTWABT-SOUVJXGZSA-N 2 1 290.407 2.133 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H]1CCO[C@H](C)C1)[NH+]1CCCC1 ZINC000252139787 371433085 /nfs/dbraw/zinc/43/30/85/371433085.db2.gz NAOWORWKBCEWIY-QLFBSQMISA-N 2 1 254.418 2.264 20 0 CEADMP c1ccc(C2CC([NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cc1 ZINC000252538500 371455389 /nfs/dbraw/zinc/45/53/89/371455389.db2.gz APZHUIFXSJCUNT-FOIPXRHGSA-N 2 1 286.419 2.385 20 0 CEADMP c1ccc(C2CC([NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)cc1 ZINC000252538500 371455396 /nfs/dbraw/zinc/45/53/96/371455396.db2.gz APZHUIFXSJCUNT-FOIPXRHGSA-N 2 1 286.419 2.385 20 0 CEADMP CCc1nc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000252667328 371465195 /nfs/dbraw/zinc/46/51/95/371465195.db2.gz IUXMHGVWADJMQE-AAEUAGOBSA-N 2 1 265.426 2.422 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc4c3CCOC4)C2)C1 ZINC000639653549 371470134 /nfs/dbraw/zinc/47/01/34/371470134.db2.gz DVLFOVYGIALVKD-SFHVURJKSA-N 2 1 286.419 2.287 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc4c3CCOC4)C2)C1 ZINC000639653549 371470140 /nfs/dbraw/zinc/47/01/40/371470140.db2.gz DVLFOVYGIALVKD-SFHVURJKSA-N 2 1 286.419 2.287 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc4c3CCOC4)C2)C1 ZINC000639653549 371470146 /nfs/dbraw/zinc/47/01/46/371470146.db2.gz DVLFOVYGIALVKD-SFHVURJKSA-N 2 1 286.419 2.287 20 0 CEADMP Cc1cccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639682693 371491552 /nfs/dbraw/zinc/49/15/52/371491552.db2.gz JQUOZNDVZIJBQX-UHFFFAOYSA-N 2 1 282.391 2.497 20 0 CEADMP COc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1 ZINC000639703683 371507117 /nfs/dbraw/zinc/50/71/17/371507117.db2.gz LARGYIFWBSSEHH-UHFFFAOYSA-N 2 1 298.390 2.198 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C)[C@@H](C(C)(C)C)C1 ZINC000639747187 371537710 /nfs/dbraw/zinc/53/77/10/371537710.db2.gz QYQRKNVJKOTGNV-LSDHHAIUSA-N 2 1 267.461 2.133 20 0 CEADMP C[NH+]1CCC[C@H]1CCN1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000639747187 371537715 /nfs/dbraw/zinc/53/77/15/371537715.db2.gz QYQRKNVJKOTGNV-LSDHHAIUSA-N 2 1 267.461 2.133 20 0 CEADMP C[NH+]1CCC[C@H]1CCN1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000639747187 371537723 /nfs/dbraw/zinc/53/77/23/371537723.db2.gz QYQRKNVJKOTGNV-LSDHHAIUSA-N 2 1 267.461 2.133 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccns3)C2)CC1 ZINC000639754587 371544505 /nfs/dbraw/zinc/54/45/05/371544505.db2.gz CUVIXZFFWISWAV-UHFFFAOYSA-N 2 1 251.399 2.061 20 0 CEADMP C[C@@H](c1csnn1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755136 371545263 /nfs/dbraw/zinc/54/52/63/371545263.db2.gz GRTPOLZFLSSJEP-NSHDSACASA-N 2 1 266.414 2.017 20 0 CEADMP C[C@@H](c1csnn1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755136 371545269 /nfs/dbraw/zinc/54/52/69/371545269.db2.gz GRTPOLZFLSSJEP-NSHDSACASA-N 2 1 266.414 2.017 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757362 371546981 /nfs/dbraw/zinc/54/69/81/371546981.db2.gz HEYFTIAVFDMSQF-GFCCVEGCSA-N 2 1 290.411 2.426 20 0 CEADMP C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCCCO1 ZINC000257682771 371614748 /nfs/dbraw/zinc/61/47/48/371614748.db2.gz LMFAVRQADDTYCR-HUUCEWRRSA-N 2 1 252.402 2.021 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000360987695 371583328 /nfs/dbraw/zinc/58/33/28/371583328.db2.gz SNEFOMGSGFANNM-AWEZNQCLSA-N 2 1 276.428 2.346 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000360987695 371583334 /nfs/dbraw/zinc/58/33/34/371583334.db2.gz SNEFOMGSGFANNM-AWEZNQCLSA-N 2 1 276.428 2.346 20 0 CEADMP CCn1nc(C)c(CN(C)CC[C@H]2CCC[N@H+]2C)c1C ZINC000639923423 371671982 /nfs/dbraw/zinc/67/19/82/371671982.db2.gz QILWXZMOSARGHK-OAHLLOKOSA-N 2 1 278.444 2.436 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000259225047 371624487 /nfs/dbraw/zinc/62/44/87/371624487.db2.gz XSMXVDKJBUQXMC-DTWKUNHWSA-N 2 1 275.215 2.480 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261585403 371663031 /nfs/dbraw/zinc/66/30/31/371663031.db2.gz IKLZOJSQXXBIMX-GOEBONIOSA-N 2 1 260.381 2.269 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261585403 371663038 /nfs/dbraw/zinc/66/30/38/371663038.db2.gz IKLZOJSQXXBIMX-GOEBONIOSA-N 2 1 260.381 2.269 20 0 CEADMP CCOCCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982182 371711427 /nfs/dbraw/zinc/71/14/27/371711427.db2.gz IIXVWJZLAGIRAO-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261736817 371714135 /nfs/dbraw/zinc/71/41/35/371714135.db2.gz LQKXXVMRNYZPPB-INIZCTEOSA-N 2 1 293.842 2.128 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261811049 371739441 /nfs/dbraw/zinc/73/94/41/371739441.db2.gz WWQAVEROBIIADG-ILXRZTDVSA-N 2 1 254.418 2.252 20 0 CEADMP COCC[N@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261754493 371721260 /nfs/dbraw/zinc/72/12/60/371721260.db2.gz KOYKUWBUVQBQSS-INIZCTEOSA-N 2 1 262.397 2.135 20 0 CEADMP COCC[N@@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261754493 371721272 /nfs/dbraw/zinc/72/12/72/371721272.db2.gz KOYKUWBUVQBQSS-INIZCTEOSA-N 2 1 262.397 2.135 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@H]21 ZINC000261813929 371740208 /nfs/dbraw/zinc/74/02/08/371740208.db2.gz AGBNRUCEIASUSM-KBAYOESNSA-N 2 1 296.418 2.432 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261648068 371691497 /nfs/dbraw/zinc/69/14/97/371691497.db2.gz CYRXQALBOMNRAQ-KRWDZBQOSA-N 2 1 274.408 2.368 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261648068 371691508 /nfs/dbraw/zinc/69/15/08/371691508.db2.gz CYRXQALBOMNRAQ-KRWDZBQOSA-N 2 1 274.408 2.368 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261657564 371694199 /nfs/dbraw/zinc/69/41/99/371694199.db2.gz DUOTXWDKHUBXKG-ZFWWWQNUSA-N 2 1 283.460 2.131 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261823105 371743101 /nfs/dbraw/zinc/74/31/01/371743101.db2.gz UEMQIHVMLMASKQ-HOTGVXAUSA-N 2 1 274.408 2.224 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000353328854 220030084 /nfs/dbraw/zinc/03/00/84/220030084.db2.gz QMMPTSCMEMSFSL-ZBFHGGJFSA-N 2 1 295.471 2.286 20 0 CEADMP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@]1(C)CC[NH2+]C1 ZINC000261953012 371784335 /nfs/dbraw/zinc/78/43/35/371784335.db2.gz GGMXQYFRQBBZST-UCMJJCQDSA-N 2 1 288.439 2.130 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000262026692 371802545 /nfs/dbraw/zinc/80/25/45/371802545.db2.gz WRDIEMTYBGSRFI-CHWSQXEVSA-N 2 1 262.397 2.427 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000262050303 371813865 /nfs/dbraw/zinc/81/38/65/371813865.db2.gz ZOAHUMMJCBGKTR-CYBMUJFWSA-N 2 1 251.399 2.191 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000262050303 371813871 /nfs/dbraw/zinc/81/38/71/371813871.db2.gz ZOAHUMMJCBGKTR-CYBMUJFWSA-N 2 1 251.399 2.191 20 0 CEADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000262082628 371819437 /nfs/dbraw/zinc/81/94/37/371819437.db2.gz TZOJCHHFRBUJED-DLBZAZTESA-N 2 1 258.409 2.475 20 0 CEADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000361491806 371874790 /nfs/dbraw/zinc/87/47/90/371874790.db2.gz AMIXBDLZACSRLK-LVQVYYBASA-N 2 1 295.471 2.142 20 0 CEADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000361491806 371874797 /nfs/dbraw/zinc/87/47/97/371874797.db2.gz AMIXBDLZACSRLK-LVQVYYBASA-N 2 1 295.471 2.142 20 0 CEADMP Cc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)nc(C)[nH+]1 ZINC000277764673 541862526 /nfs/dbraw/zinc/86/25/26/541862526.db2.gz VSVRPGWZAQLHMU-ZDUSSCGKSA-N 2 1 278.400 2.006 20 0 CEADMP Cc1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)nc(C)[nH+]1 ZINC000277764673 541862532 /nfs/dbraw/zinc/86/25/32/541862532.db2.gz VSVRPGWZAQLHMU-ZDUSSCGKSA-N 2 1 278.400 2.006 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCc4ccccc4C3)C[C@@H]2C1 ZINC000683790666 541861260 /nfs/dbraw/zinc/86/12/60/541861260.db2.gz PJIWRXAUHCIHJR-OLMNPRSZSA-N 2 1 270.420 2.285 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc4C3)C[C@@H]2C1 ZINC000683790666 541861265 /nfs/dbraw/zinc/86/12/65/541861265.db2.gz PJIWRXAUHCIHJR-OLMNPRSZSA-N 2 1 270.420 2.285 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCc4ccccc4C3)C[C@@H]2C1 ZINC000683790666 541861266 /nfs/dbraw/zinc/86/12/66/541861266.db2.gz PJIWRXAUHCIHJR-OLMNPRSZSA-N 2 1 270.420 2.285 20 0 CEADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000263184166 371931279 /nfs/dbraw/zinc/93/12/79/371931279.db2.gz HCNDOSQKFBQADF-QRTARXTBSA-N 2 1 293.455 2.027 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](n2cccn2)C1 ZINC000361591263 371959106 /nfs/dbraw/zinc/95/91/06/371959106.db2.gz MEWVNMNDHHPLKY-GJZGRUSLSA-N 2 1 262.401 2.004 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000361591263 371959114 /nfs/dbraw/zinc/95/91/14/371959114.db2.gz MEWVNMNDHHPLKY-GJZGRUSLSA-N 2 1 262.401 2.004 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](n2cccn2)C1 ZINC000361591263 371959118 /nfs/dbraw/zinc/95/91/18/371959118.db2.gz MEWVNMNDHHPLKY-GJZGRUSLSA-N 2 1 262.401 2.004 20 0 CEADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530918 372022178 /nfs/dbraw/zinc/02/21/78/372022178.db2.gz IKTJYKGAMSSVJM-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP Cc1nn(C)cc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534037 372024425 /nfs/dbraw/zinc/02/44/25/372024425.db2.gz JFVNHDXBHIVALS-UHFFFAOYSA-N 2 1 278.444 2.426 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1(C)C ZINC000344159815 217079910 /nfs/dbraw/zinc/07/99/10/217079910.db2.gz DBNWXVVGFYESRT-ZUWCUPBKSA-N 2 1 254.418 2.118 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1(C)C ZINC000344159815 217079912 /nfs/dbraw/zinc/07/99/12/217079912.db2.gz DBNWXVVGFYESRT-ZUWCUPBKSA-N 2 1 254.418 2.118 20 0 CEADMP CCC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361888461 372115795 /nfs/dbraw/zinc/11/57/95/372115795.db2.gz JNAAEGVZVXJTCM-DOTOQJQBSA-N 2 1 276.424 2.402 20 0 CEADMP CCC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361888461 372115799 /nfs/dbraw/zinc/11/57/99/372115799.db2.gz JNAAEGVZVXJTCM-DOTOQJQBSA-N 2 1 276.424 2.402 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000361804728 372078975 /nfs/dbraw/zinc/07/89/75/372078975.db2.gz OKQNFRWWQHQLGS-MGPQQGTHSA-N 2 1 284.444 2.427 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)sc1C ZINC000361946589 372141494 /nfs/dbraw/zinc/14/14/94/372141494.db2.gz PFKJTZYYWNKHGL-ZWNOBZJWSA-N 2 1 267.442 2.232 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000268801667 372227828 /nfs/dbraw/zinc/22/78/28/372227828.db2.gz JPSTXVSKQNPLOW-UHFFFAOYSA-N 2 1 284.407 2.450 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(O)cc2)[C@H](C)C1 ZINC000268808259 372231947 /nfs/dbraw/zinc/23/19/47/372231947.db2.gz MZBJHTFYNUSUCD-CJNGLKHVSA-N 2 1 262.397 2.255 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCO)CC[N@@H+]1Cc1ccccc1 ZINC000268699125 372185797 /nfs/dbraw/zinc/18/57/97/372185797.db2.gz DQGNYCANQDLPRR-HOCLYGCPSA-N 2 1 262.397 2.012 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCO)CC[N@H+]1Cc1ccccc1 ZINC000268699125 372185800 /nfs/dbraw/zinc/18/58/00/372185800.db2.gz DQGNYCANQDLPRR-HOCLYGCPSA-N 2 1 262.397 2.012 20 0 CEADMP CC[C@H](NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(F)cc1F ZINC000268936239 372294564 /nfs/dbraw/zinc/29/45/64/372294564.db2.gz RSQPDCDNBQQKLM-CJNGLKHVSA-N 2 1 297.393 2.251 20 0 CEADMP COc1ccnc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000362189007 372263320 /nfs/dbraw/zinc/26/33/20/372263320.db2.gz UJSMCXYFJRZRFK-TZMCWYRMSA-N 2 1 263.385 2.005 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@](C)(O)c1ccccc1 ZINC000268884059 372271651 /nfs/dbraw/zinc/27/16/51/372271651.db2.gz MIDJCWGRVWASSI-SRABZTEZSA-N 2 1 276.424 2.212 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000344343166 217160567 /nfs/dbraw/zinc/16/05/67/217160567.db2.gz FMYRNGYGSIOROO-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000344343166 217160569 /nfs/dbraw/zinc/16/05/69/217160569.db2.gz FMYRNGYGSIOROO-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP C[N@H+]1CCCN(Cc2cnc3ccc(Cl)cn23)CC1 ZINC000269376915 372435359 /nfs/dbraw/zinc/43/53/59/372435359.db2.gz VZCQJCLFGFYJPG-UHFFFAOYSA-N 2 1 278.787 2.125 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000269722315 372546913 /nfs/dbraw/zinc/54/69/13/372546913.db2.gz UTUONHPLFLKLDX-UHFFFAOYSA-N 2 1 294.443 2.162 20 0 CEADMP CCCN(CCC)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000269722315 372546919 /nfs/dbraw/zinc/54/69/19/372546919.db2.gz UTUONHPLFLKLDX-UHFFFAOYSA-N 2 1 294.443 2.162 20 0 CEADMP Fc1cnccc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000641673053 372619890 /nfs/dbraw/zinc/61/98/90/372619890.db2.gz JWAIGKFIMALGCD-CYBMUJFWSA-N 2 1 263.360 2.177 20 0 CEADMP C[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC000641709838 372646432 /nfs/dbraw/zinc/64/64/32/372646432.db2.gz IYRVIUMLGIPWGT-GJZGRUSLSA-N 2 1 268.445 2.392 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2scnc2C)[C@@H](C)C1 ZINC000344516986 217218569 /nfs/dbraw/zinc/21/85/69/217218569.db2.gz PXXXJTQUHGHYHE-CMPLNLGQSA-N 2 1 253.415 2.271 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2scnc2C)[C@@H](C)C1 ZINC000344516986 217218570 /nfs/dbraw/zinc/21/85/70/217218570.db2.gz PXXXJTQUHGHYHE-CMPLNLGQSA-N 2 1 253.415 2.271 20 0 CEADMP C[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000364324315 372726822 /nfs/dbraw/zinc/72/68/22/372726822.db2.gz MHAZDCBBTBERAW-CGTJXYLNSA-N 2 1 288.435 2.318 20 0 CEADMP C[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000364324315 372726827 /nfs/dbraw/zinc/72/68/27/372726827.db2.gz MHAZDCBBTBERAW-CGTJXYLNSA-N 2 1 288.435 2.318 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000270272145 372727760 /nfs/dbraw/zinc/72/77/60/372727760.db2.gz LJKDGSZHQDQRRF-RHSMWYFYSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000270272145 372727766 /nfs/dbraw/zinc/72/77/66/372727766.db2.gz LJKDGSZHQDQRRF-RHSMWYFYSA-N 2 1 289.423 2.315 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000641801514 372743829 /nfs/dbraw/zinc/74/38/29/372743829.db2.gz ROXAKAWHEHDCOT-NEPJUHHUSA-N 2 1 299.777 2.133 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000641803179 372748354 /nfs/dbraw/zinc/74/83/54/372748354.db2.gz AXYXKRDYQZJDJE-XDTLVQLUSA-N 2 1 295.814 2.382 20 0 CEADMP Cc1c(Cl)cccc1NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641804805 372749910 /nfs/dbraw/zinc/74/99/10/372749910.db2.gz JYQMXZMNBCQNAK-OLZOCXBDSA-N 2 1 295.814 2.302 20 0 CEADMP Cc1ccc(NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c(Cl)c1 ZINC000641808692 372757202 /nfs/dbraw/zinc/75/72/02/372757202.db2.gz ZSGNCLHYGLJOLO-QWHCGFSZSA-N 2 1 295.814 2.302 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000333190578 205102796 /nfs/dbraw/zinc/10/27/96/205102796.db2.gz UWKWLJQDSPZAJQ-LVQVYYBASA-N 3 1 267.461 2.404 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccco1 ZINC000353456729 220093465 /nfs/dbraw/zinc/09/34/65/220093465.db2.gz WSNITJZGEKSUQN-KLHDSHLOSA-N 2 1 291.439 2.345 20 0 CEADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344655538 217264334 /nfs/dbraw/zinc/26/43/34/217264334.db2.gz GJZSHIFARWSBRF-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000365553963 372889991 /nfs/dbraw/zinc/88/99/91/372889991.db2.gz IQROYEJFFPOIGW-CJNGLKHVSA-N 2 1 277.412 2.471 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000365553963 372889994 /nfs/dbraw/zinc/88/99/94/372889994.db2.gz IQROYEJFFPOIGW-CJNGLKHVSA-N 2 1 277.412 2.471 20 0 CEADMP COc1ccccc1[C@H]([NH3+])CNc1cc(NC2CC2)[nH+]cn1 ZINC000642991164 372905351 /nfs/dbraw/zinc/90/53/51/372905351.db2.gz MFLPQUSNUWYPQI-CYBMUJFWSA-N 2 1 299.378 2.171 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2nccs2)[C@H]2CCC[C@H]21 ZINC000353491104 220114093 /nfs/dbraw/zinc/11/40/93/220114093.db2.gz IUYQKITTWGJOEB-FRRDWIJNSA-N 2 1 265.426 2.148 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000353521116 220134813 /nfs/dbraw/zinc/13/48/13/220134813.db2.gz OZOMAERFSAKTBW-TWMKSMIVSA-N 3 1 279.472 2.181 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000353521116 220134818 /nfs/dbraw/zinc/13/48/18/220134818.db2.gz OZOMAERFSAKTBW-TWMKSMIVSA-N 3 1 279.472 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353521116 220134820 /nfs/dbraw/zinc/13/48/20/220134820.db2.gz OZOMAERFSAKTBW-TWMKSMIVSA-N 3 1 279.472 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353521116 220134822 /nfs/dbraw/zinc/13/48/22/220134822.db2.gz OZOMAERFSAKTBW-TWMKSMIVSA-N 3 1 279.472 2.181 20 0 CEADMP Cc1ccc([C@@H]2COCCN2CCn2cc[nH+]c2C)o1 ZINC000270886483 372998057 /nfs/dbraw/zinc/99/80/57/372998057.db2.gz OFZPIACTSUEYPG-AWEZNQCLSA-N 2 1 275.352 2.166 20 0 CEADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000353526437 220136392 /nfs/dbraw/zinc/13/63/92/220136392.db2.gz AOVWOLHXLHDXAS-BZUAXINKSA-N 2 1 289.423 2.095 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000353521116 220134807 /nfs/dbraw/zinc/13/48/07/220134807.db2.gz OZOMAERFSAKTBW-TWMKSMIVSA-N 2 1 279.472 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353521116 220134810 /nfs/dbraw/zinc/13/48/10/220134810.db2.gz OZOMAERFSAKTBW-TWMKSMIVSA-N 2 1 279.472 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353521116 220134811 /nfs/dbraw/zinc/13/48/11/220134811.db2.gz OZOMAERFSAKTBW-TWMKSMIVSA-N 2 1 279.472 2.181 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccnn1C ZINC000643484130 373150400 /nfs/dbraw/zinc/15/04/00/373150400.db2.gz APHRMCPVOLGFMI-QWHCGFSZSA-N 2 1 287.411 2.318 20 0 CEADMP C[N@@H+](CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21)C1CCCC1 ZINC000367604371 373165278 /nfs/dbraw/zinc/16/52/78/373165278.db2.gz BDIAUOVLSWPAPZ-BBWFWOEESA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C1CCCC1 ZINC000367604371 373165281 /nfs/dbraw/zinc/16/52/81/373165281.db2.gz BDIAUOVLSWPAPZ-BBWFWOEESA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C1CCCC1 ZINC000367604371 373165283 /nfs/dbraw/zinc/16/52/83/373165283.db2.gz BDIAUOVLSWPAPZ-BBWFWOEESA-N 2 1 279.472 2.323 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1COc2ccccc2O1 ZINC000643455745 373124534 /nfs/dbraw/zinc/12/45/34/373124534.db2.gz LKGXLTHBDWFPQD-MJBXVCDLSA-N 2 1 276.380 2.076 20 0 CEADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366865579 373126253 /nfs/dbraw/zinc/12/62/53/373126253.db2.gz CZOKLHKZGCSDCX-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000643463005 373133599 /nfs/dbraw/zinc/13/35/99/373133599.db2.gz YJMYWDFWBUVJHT-ZLDLUXBVSA-N 2 1 295.377 2.274 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CCO2)CC1 ZINC000367098452 373137873 /nfs/dbraw/zinc/13/78/73/373137873.db2.gz GOSPVDZFBIGRNO-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CCO2)CC1 ZINC000367098452 373137878 /nfs/dbraw/zinc/13/78/78/373137878.db2.gz GOSPVDZFBIGRNO-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1nc2ccccc2n1C ZINC000643521767 373177643 /nfs/dbraw/zinc/17/76/43/373177643.db2.gz BIEMAVALOMMONE-QWHCGFSZSA-N 2 1 272.396 2.366 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000643527704 373185350 /nfs/dbraw/zinc/18/53/50/373185350.db2.gz RGFZGWRZKNMODB-YWPYICTPSA-N 2 1 266.360 2.230 20 0 CEADMP CCOC1CC2(C1)CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C2 ZINC000368605600 373249231 /nfs/dbraw/zinc/24/92/31/373249231.db2.gz BOVPXXMQFSXDEN-FHERZECASA-N 2 1 266.429 2.362 20 0 CEADMP CCOC1CC2(C1)CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C2 ZINC000368605600 373249238 /nfs/dbraw/zinc/24/92/38/373249238.db2.gz BOVPXXMQFSXDEN-FHERZECASA-N 2 1 266.429 2.362 20 0 CEADMP CCOC1CC2(C1)CC[NH+](CC[C@@H]1CCC[N@H+]1C)C2 ZINC000368605600 373249241 /nfs/dbraw/zinc/24/92/41/373249241.db2.gz BOVPXXMQFSXDEN-FHERZECASA-N 2 1 266.429 2.362 20 0 CEADMP COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCCn1cc[nH+]c1C ZINC000272061161 373287335 /nfs/dbraw/zinc/28/73/35/373287335.db2.gz SAKDGZWGRGODOE-HOCLYGCPSA-N 2 1 293.411 2.293 20 0 CEADMP CCc1nn(C)c(Cl)c1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369376940 373401783 /nfs/dbraw/zinc/40/17/83/373401783.db2.gz BSUYQEYNAMDCPX-NEPJUHHUSA-N 2 1 296.846 2.352 20 0 CEADMP CCCCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000369404395 373408490 /nfs/dbraw/zinc/40/84/90/373408490.db2.gz ZMYSTGOVXRTULU-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP C[C@@H](CC(=O)N(C)C)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000369721895 373497607 /nfs/dbraw/zinc/49/76/07/373497607.db2.gz PCIRLEDLPGQTSV-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000369721895 373497612 /nfs/dbraw/zinc/49/76/12/373497612.db2.gz PCIRLEDLPGQTSV-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2COCCOC2)CC1 ZINC000644553495 373527198 /nfs/dbraw/zinc/52/71/98/373527198.db2.gz SHODMOCJNVVVEQ-YOEHRIQHSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272668799 373608892 /nfs/dbraw/zinc/60/88/92/373608892.db2.gz JTPIPHFYWWHHNE-BZZMCLGOSA-N 2 1 288.435 2.258 20 0 CEADMP CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371154069 373803478 /nfs/dbraw/zinc/80/34/78/373803478.db2.gz DBQFENCXEHGBGO-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371154069 373803481 /nfs/dbraw/zinc/80/34/81/373803481.db2.gz DBQFENCXEHGBGO-UHFFFAOYSA-N 3 1 267.461 2.134 20 0 CEADMP CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371154069 373803488 /nfs/dbraw/zinc/80/34/88/373803488.db2.gz DBQFENCXEHGBGO-UHFFFAOYSA-N 3 1 267.461 2.134 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000371196057 373808904 /nfs/dbraw/zinc/80/89/04/373808904.db2.gz BPNIMNSHBCWLJB-INIZCTEOSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000371196057 373808911 /nfs/dbraw/zinc/80/89/11/373808911.db2.gz BPNIMNSHBCWLJB-INIZCTEOSA-N 2 1 277.412 2.330 20 0 CEADMP C[C@@H]1CN(c2cc[nH+]c3c(O)cccc23)C[C@H](C)[N@@H+]1C ZINC000645055599 373838391 /nfs/dbraw/zinc/83/83/91/373838391.db2.gz SUCDDBOJEFTQAH-TXEJJXNPSA-N 2 1 271.364 2.469 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(C)(C)C ZINC000371471033 373893440 /nfs/dbraw/zinc/89/34/40/373893440.db2.gz QIUOHAXIXADFFZ-RDBSUJKOSA-N 2 1 254.418 2.216 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccs1 ZINC000371470666 373894515 /nfs/dbraw/zinc/89/45/15/373894515.db2.gz NKMSODYNNIEYAW-BPLDGKMQSA-N 2 1 280.437 2.432 20 0 CEADMP COC1(CC[N@H+]2CCC[C@H](n3ccnc3)C2)CCC1 ZINC000645083391 373842260 /nfs/dbraw/zinc/84/22/60/373842260.db2.gz VPZOFGUFIXBFMS-AWEZNQCLSA-N 2 1 263.385 2.479 20 0 CEADMP CO[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000372064624 374035720 /nfs/dbraw/zinc/03/57/20/374035720.db2.gz GUTAXJVVARSXLU-GJZGRUSLSA-N 2 1 291.439 2.102 20 0 CEADMP Cn1cncc1C[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC000372348901 374104629 /nfs/dbraw/zinc/10/46/29/374104629.db2.gz NVDZTWDPECDEKG-OAHLLOKOSA-N 2 1 275.327 2.213 20 0 CEADMP CC(C)CCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000372676875 374175020 /nfs/dbraw/zinc/17/50/20/374175020.db2.gz RVGKCMJYRQKBEX-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000275255337 374199332 /nfs/dbraw/zinc/19/93/32/374199332.db2.gz JBAWECHPQNPSMZ-CJNGLKHVSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000275255337 374199339 /nfs/dbraw/zinc/19/93/39/374199339.db2.gz JBAWECHPQNPSMZ-CJNGLKHVSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000275255337 374199344 /nfs/dbraw/zinc/19/93/44/374199344.db2.gz JBAWECHPQNPSMZ-CJNGLKHVSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000275255337 374199350 /nfs/dbraw/zinc/19/93/50/374199350.db2.gz JBAWECHPQNPSMZ-CJNGLKHVSA-N 2 1 262.397 2.467 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)OCCO2 ZINC000275314118 374214251 /nfs/dbraw/zinc/21/42/51/374214251.db2.gz RTDOJMMHFHDSBZ-HIFRSBDPSA-N 2 1 290.407 2.230 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)OCCO2 ZINC000275314118 374214257 /nfs/dbraw/zinc/21/42/57/374214257.db2.gz RTDOJMMHFHDSBZ-HIFRSBDPSA-N 2 1 290.407 2.230 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000275314118 374214262 /nfs/dbraw/zinc/21/42/62/374214262.db2.gz RTDOJMMHFHDSBZ-HIFRSBDPSA-N 2 1 290.407 2.230 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000275314118 374214268 /nfs/dbraw/zinc/21/42/68/374214268.db2.gz RTDOJMMHFHDSBZ-HIFRSBDPSA-N 2 1 290.407 2.230 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000372931872 374225029 /nfs/dbraw/zinc/22/50/29/374225029.db2.gz XAIOGGMKKBTAQC-HOTGVXAUSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ncc[nH]1 ZINC000373342778 374331756 /nfs/dbraw/zinc/33/17/56/374331756.db2.gz CPQXVEZTMWPERA-OFQRWUPVSA-N 2 1 299.422 2.366 20 0 CEADMP CCCC[C@@H](COC)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000373555104 374379247 /nfs/dbraw/zinc/37/92/47/374379247.db2.gz OMVQWPZVEKANNZ-KBPBESRZSA-N 2 1 265.401 2.240 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000277114498 374408629 /nfs/dbraw/zinc/40/86/29/374408629.db2.gz HIQOZLLKTAMNMO-CVEARBPZSA-N 2 1 280.387 2.275 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000277114498 374408636 /nfs/dbraw/zinc/40/86/36/374408636.db2.gz HIQOZLLKTAMNMO-CVEARBPZSA-N 2 1 280.387 2.275 20 0 CEADMP CCOC1CC(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000377155369 374805435 /nfs/dbraw/zinc/80/54/35/374805435.db2.gz QNRFOLRDJSUFGO-FHERZECASA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+](CC)CC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000377315079 374834225 /nfs/dbraw/zinc/83/42/25/374834225.db2.gz ABBOZMVRJMTQNP-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccsc3)C2)CC1 ZINC000377687755 374922541 /nfs/dbraw/zinc/92/25/41/374922541.db2.gz AVVQRVKYPLRGON-INIZCTEOSA-N 2 1 293.480 2.350 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccsc3)C2)CC1 ZINC000377687755 374922547 /nfs/dbraw/zinc/92/25/47/374922547.db2.gz AVVQRVKYPLRGON-INIZCTEOSA-N 2 1 293.480 2.350 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2C)[C@H]1C ZINC000279811626 374996394 /nfs/dbraw/zinc/99/63/94/374996394.db2.gz FRSOYLHXRXATIM-QEJZJMRPSA-N 2 1 293.411 2.149 20 0 CEADMP Cc1n[nH]cc1C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000378351820 375079174 /nfs/dbraw/zinc/07/91/74/375079174.db2.gz UFCWWDKTIJJWLV-CQSZACIVSA-N 2 1 285.395 2.356 20 0 CEADMP Cc1n[nH]cc1C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000378351820 375079182 /nfs/dbraw/zinc/07/91/82/375079182.db2.gz UFCWWDKTIJJWLV-CQSZACIVSA-N 2 1 285.395 2.356 20 0 CEADMP CCOC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000378357000 375081241 /nfs/dbraw/zinc/08/12/41/375081241.db2.gz UYHODPQPPUEMEO-ZIAGYGMSSA-N 2 1 294.439 2.134 20 0 CEADMP C[C@@H]1C[C@@H](NCC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379657167 375155793 /nfs/dbraw/zinc/15/57/93/375155793.db2.gz RWTMNOYCSFMGCE-ZBFHGGJFSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H](C[NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658511 375156539 /nfs/dbraw/zinc/15/65/39/375156539.db2.gz WNVIQEMDHFBEEN-BFYDXBDKSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379658511 375156545 /nfs/dbraw/zinc/15/65/45/375156545.db2.gz WNVIQEMDHFBEEN-BFYDXBDKSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658511 375156548 /nfs/dbraw/zinc/15/65/48/375156548.db2.gz WNVIQEMDHFBEEN-BFYDXBDKSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658511 375156551 /nfs/dbraw/zinc/15/65/51/375156551.db2.gz WNVIQEMDHFBEEN-BFYDXBDKSA-N 3 1 275.440 2.224 20 0 CEADMP c1cc2nccc(NCC[N@@H+]3CC=CCC3)c2cn1 ZINC000280317498 375167436 /nfs/dbraw/zinc/16/74/36/375167436.db2.gz SUQJNDJNEJWVGG-UHFFFAOYSA-N 2 1 254.337 2.304 20 0 CEADMP COc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1Cl ZINC000384958538 375222108 /nfs/dbraw/zinc/22/21/08/375222108.db2.gz HAWZRKWEWHTING-UHFFFAOYSA-N 2 1 254.761 2.270 20 0 CEADMP COc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1Cl ZINC000384958538 375222114 /nfs/dbraw/zinc/22/21/14/375222114.db2.gz HAWZRKWEWHTING-UHFFFAOYSA-N 2 1 254.761 2.270 20 0 CEADMP C[C@H]([N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1(C)CC1 ZINC000385424292 375232582 /nfs/dbraw/zinc/23/25/82/375232582.db2.gz BUUGGBHSSMODHV-BPUTZDHNSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@H]([N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1(C)CC1 ZINC000385424292 375232589 /nfs/dbraw/zinc/23/25/89/375232589.db2.gz BUUGGBHSSMODHV-BPUTZDHNSA-N 2 1 276.424 2.038 20 0 CEADMP FCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280609356 375259934 /nfs/dbraw/zinc/25/99/34/375259934.db2.gz XMUYNMXVWJFPOJ-IYBDPMFKSA-N 2 1 262.372 2.410 20 0 CEADMP FCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280609356 375259940 /nfs/dbraw/zinc/25/99/40/375259940.db2.gz XMUYNMXVWJFPOJ-IYBDPMFKSA-N 2 1 262.372 2.410 20 0 CEADMP FCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280609356 375259947 /nfs/dbraw/zinc/25/99/47/375259947.db2.gz XMUYNMXVWJFPOJ-IYBDPMFKSA-N 2 1 262.372 2.410 20 0 CEADMP C[C@H]([NH2+]CCc1cccc(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000386554439 375261577 /nfs/dbraw/zinc/26/15/77/375261577.db2.gz HOZUAHXYLFVFGR-WFASDCNBSA-N 2 1 250.361 2.488 20 0 CEADMP C[NH+]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)[C@@H]2CCC[C@@H]21 ZINC000414194031 375802512 /nfs/dbraw/zinc/80/25/12/375802512.db2.gz UIIYEIMRJLARCU-TWMKSMIVSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000414194031 375802515 /nfs/dbraw/zinc/80/25/15/375802515.db2.gz UIIYEIMRJLARCU-TWMKSMIVSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000414194031 375802521 /nfs/dbraw/zinc/80/25/21/375802521.db2.gz UIIYEIMRJLARCU-TWMKSMIVSA-N 3 1 279.472 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)[C@@H]2CCC[C@@H]21 ZINC000414194031 375802528 /nfs/dbraw/zinc/80/25/28/375802528.db2.gz UIIYEIMRJLARCU-TWMKSMIVSA-N 2 1 279.472 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@@H]2CCC[C@@H]21 ZINC000414194031 375802533 /nfs/dbraw/zinc/80/25/33/375802533.db2.gz UIIYEIMRJLARCU-TWMKSMIVSA-N 2 1 279.472 2.181 20 0 CEADMP CCOC(=O)CC(C)(C)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414763957 375955297 /nfs/dbraw/zinc/95/52/97/375955297.db2.gz YIOYNDSEZKPOKX-CHWSQXEVSA-N 2 1 270.417 2.038 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000414783302 375967697 /nfs/dbraw/zinc/96/76/97/375967697.db2.gz PTXJQWIZFUZXPJ-GJZGRUSLSA-N 2 1 289.423 2.302 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)C1CC1 ZINC000414793771 375974959 /nfs/dbraw/zinc/97/49/59/375974959.db2.gz DXNFHLMBWHIVBC-ZDUSSCGKSA-N 2 1 270.323 2.157 20 0 CEADMP COC(=O)c1cc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)oc1C ZINC000414682167 375915034 /nfs/dbraw/zinc/91/50/34/375915034.db2.gz QVTIBRVAXASOBI-YPMHNXCESA-N 2 1 294.395 2.195 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCC[NH3+])C12CCCCC2 ZINC000414691928 375921329 /nfs/dbraw/zinc/92/13/29/375921329.db2.gz CEVDQIWASXXIFR-ZIAGYGMSSA-N 2 1 254.418 2.395 20 0 CEADMP C[N@H+](CCC[NH3+])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000414747348 375949335 /nfs/dbraw/zinc/94/93/35/375949335.db2.gz MUZZYBWOMGWNLY-QWHCGFSZSA-N 2 1 289.206 2.232 20 0 CEADMP C[N@@H+](CCC[NH3+])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000414747348 375949338 /nfs/dbraw/zinc/94/93/38/375949338.db2.gz MUZZYBWOMGWNLY-QWHCGFSZSA-N 2 1 289.206 2.232 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000414805451 375991945 /nfs/dbraw/zinc/99/19/45/375991945.db2.gz YMXKYQWDBKNBOB-NSHDSACASA-N 2 1 264.398 2.211 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000414811551 375997419 /nfs/dbraw/zinc/99/74/19/375997419.db2.gz JNOVKMRPQBPGFK-ZDUSSCGKSA-N 2 1 266.385 2.311 20 0 CEADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414812556 376000719 /nfs/dbraw/zinc/00/07/19/376000719.db2.gz XLACKMXGQQVFCG-MLGOLLRUSA-N 2 1 289.423 2.293 20 0 CEADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414816474 376002782 /nfs/dbraw/zinc/00/27/82/376002782.db2.gz XCWSMJUFAACWCY-LSDHHAIUSA-N 2 1 292.423 2.352 20 0 CEADMP c1nn(-c2ccccc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414817926 376004533 /nfs/dbraw/zinc/00/45/33/376004533.db2.gz UIEYVYNNJLODCV-XYPWUTKMSA-N 2 1 282.391 2.245 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000684825424 542073290 /nfs/dbraw/zinc/07/32/90/542073290.db2.gz OWDJRKAUORJXKU-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP c1c(C[NH2+]C[C@@H]2CCC[NH2+]C2)[nH]nc1-c1ccccc1 ZINC000414821310 376009307 /nfs/dbraw/zinc/00/93/07/376009307.db2.gz BAFKTXVRXVZXOW-CYBMUJFWSA-N 2 1 270.380 2.166 20 0 CEADMP CC(C)C[N@H+](Cc1cnn(C)c1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415090654 376019836 /nfs/dbraw/zinc/01/98/36/376019836.db2.gz AXZHABPJTZTVOU-GJZGRUSLSA-N 2 1 278.444 2.266 20 0 CEADMP C[C@H]1CC[N@H+](Cc2cccc3c2OCCCO3)C[C@@H]1C[NH3+] ZINC000415137680 376022197 /nfs/dbraw/zinc/02/21/97/376022197.db2.gz YFKZQRMVUYEVSC-ZFWWWQNUSA-N 2 1 290.407 2.265 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C[C@@H]1C[NH3+] ZINC000415137680 376022201 /nfs/dbraw/zinc/02/22/01/376022201.db2.gz YFKZQRMVUYEVSC-ZFWWWQNUSA-N 2 1 290.407 2.265 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000414804240 375990039 /nfs/dbraw/zinc/99/00/39/375990039.db2.gz OLFMRXKAPPJCHQ-CJNGLKHVSA-N 2 1 270.380 2.089 20 0 CEADMP C[NH+]1CCC(CCNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000263755278 190076533 /nfs/dbraw/zinc/07/65/33/190076533.db2.gz HHWNKRANLAMEIR-UHFFFAOYSA-N 2 1 259.357 2.102 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000262698532 190060704 /nfs/dbraw/zinc/06/07/04/190060704.db2.gz GFBYPWSNDREEFO-CZUORRHYSA-N 2 1 292.427 2.127 20 0 CEADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cn[nH]c1 ZINC000306052061 376535064 /nfs/dbraw/zinc/53/50/64/376535064.db2.gz SSOIDBCEPYMZPW-ZDUSSCGKSA-N 2 1 250.390 2.182 20 0 CEADMP CCN1CC[N@H+](CCCc2cnccc2C)C(C)(C)C1=O ZINC000289884500 376544281 /nfs/dbraw/zinc/54/42/81/376544281.db2.gz WTKLUOXWHKGOGM-UHFFFAOYSA-N 2 1 289.423 2.265 20 0 CEADMP CCN1CC[N@@H+](CCCc2cnccc2C)C(C)(C)C1=O ZINC000289884500 376544288 /nfs/dbraw/zinc/54/42/88/376544288.db2.gz WTKLUOXWHKGOGM-UHFFFAOYSA-N 2 1 289.423 2.265 20 0 CEADMP C[C@H]1[C@H](NCc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000309746889 376602769 /nfs/dbraw/zinc/60/27/69/376602769.db2.gz USBMXHANHGFDAK-WMLDXEAASA-N 2 1 284.407 2.173 20 0 CEADMP C[C@H]1[C@H](NCc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000309746889 376602774 /nfs/dbraw/zinc/60/27/74/376602774.db2.gz USBMXHANHGFDAK-WMLDXEAASA-N 2 1 284.407 2.173 20 0 CEADMP Cn1c(NCC2([NH3+])CCCCC2)[nH+]c2cccc(F)c21 ZINC000420139336 376579779 /nfs/dbraw/zinc/57/97/79/376579779.db2.gz GBEUOUQCTCRCQG-UHFFFAOYSA-N 2 1 276.359 2.208 20 0 CEADMP Cn1c[nH+]cc1CCN1CCO[C@H](c2ccsc2)C1 ZINC000289984631 376587508 /nfs/dbraw/zinc/58/75/08/376587508.db2.gz JYOCYRFICNVVLZ-AWEZNQCLSA-N 2 1 277.393 2.098 20 0 CEADMP C[C@@H]([NH3+])C[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000310235801 376617203 /nfs/dbraw/zinc/61/72/03/376617203.db2.gz AUNRJKKUSXFXSR-LLVKDONJSA-N 2 1 256.777 2.388 20 0 CEADMP C[C@@H]([NH3+])C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000310235801 376617209 /nfs/dbraw/zinc/61/72/09/376617209.db2.gz AUNRJKKUSXFXSR-LLVKDONJSA-N 2 1 256.777 2.388 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000264543815 190117123 /nfs/dbraw/zinc/11/71/23/190117123.db2.gz SWEFQFLAMSHKEC-UHFFFAOYSA-N 2 1 269.352 2.248 20 0 CEADMP OC[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000311890253 376694419 /nfs/dbraw/zinc/69/44/19/376694419.db2.gz YCAJCOZMLJKRMU-XUWVNRHRSA-N 2 1 266.429 2.002 20 0 CEADMP Cc1cc(C)c(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1C ZINC000313395656 376744053 /nfs/dbraw/zinc/74/40/53/376744053.db2.gz PSMRGYJYCGOKPH-INIZCTEOSA-N 2 1 262.397 2.161 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC000560601889 376765582 /nfs/dbraw/zinc/76/55/82/376765582.db2.gz LMBYKFCLSXMRQR-INIZCTEOSA-N 2 1 297.487 2.489 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H](O)c2ccccc2)CC1 ZINC000290454026 376786026 /nfs/dbraw/zinc/78/60/26/376786026.db2.gz WDJBVSZRCOJJCI-BBRMVZONSA-N 2 1 262.397 2.182 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC(C)C2)c(C[NH+](C)C)c1 ZINC000561246919 376805188 /nfs/dbraw/zinc/80/51/88/376805188.db2.gz JZGVGPPEGOHJGJ-AWEZNQCLSA-N 2 1 289.423 2.335 20 0 CEADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000280472213 542132330 /nfs/dbraw/zinc/13/23/30/542132330.db2.gz CTCSTTUWOBUMPT-HZPDHXFCSA-N 2 1 259.397 2.149 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)Nc1ccccc1C[NH+](C)C ZINC000561403745 376807417 /nfs/dbraw/zinc/80/74/17/376807417.db2.gz ILRSVKVHTYDHJW-UHFFFAOYSA-N 2 1 263.385 2.027 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422975323 376897617 /nfs/dbraw/zinc/89/76/17/376897617.db2.gz SKXHMQFXTPGODT-XYPHTWIQSA-N 3 1 273.424 2.453 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422974111 376898691 /nfs/dbraw/zinc/89/86/91/376898691.db2.gz QLZWOZDARQGFOG-WCXIOVBPSA-N 2 1 279.472 2.229 20 0 CEADMP CCC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422974111 376898699 /nfs/dbraw/zinc/89/86/99/376898699.db2.gz QLZWOZDARQGFOG-WCXIOVBPSA-N 2 1 279.472 2.229 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422974111 376898708 /nfs/dbraw/zinc/89/87/08/376898708.db2.gz QLZWOZDARQGFOG-WCXIOVBPSA-N 2 1 279.472 2.229 20 0 CEADMP CCc1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000561986227 376837339 /nfs/dbraw/zinc/83/73/39/376837339.db2.gz QFLZXVBATWWDNH-UHFFFAOYSA-N 2 1 281.444 2.157 20 0 CEADMP CC(C)c1csc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000422893357 376856354 /nfs/dbraw/zinc/85/63/54/376856354.db2.gz QFOSXEQFPTZRCL-GHMZBOCLSA-N 2 1 253.415 2.484 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422940336 376868960 /nfs/dbraw/zinc/86/89/60/376868960.db2.gz GYIHCQHIGMMACR-QWHCGFSZSA-N 2 1 270.323 2.300 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422961392 376887339 /nfs/dbraw/zinc/88/73/39/376887339.db2.gz BPYWWUGJACOMFA-NVXWUHKLSA-N 2 1 277.456 2.265 20 0 CEADMP CC[C@@H](CN[C@@H](C)c1ccc(C[NH3+])nc1C)[NH+]1CCCC1 ZINC000422963791 376891334 /nfs/dbraw/zinc/89/13/34/376891334.db2.gz JNTSODYNTGWXPO-BBRMVZONSA-N 2 1 290.455 2.374 20 0 CEADMP Cn1cc(-c2cccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])c2)cn1 ZINC000422966412 376895169 /nfs/dbraw/zinc/89/51/69/376895169.db2.gz RJKVPKZFESRGLP-CVEARBPZSA-N 2 1 270.380 2.057 20 0 CEADMP C[C@@H](NC[C@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000423082265 376974977 /nfs/dbraw/zinc/97/49/77/376974977.db2.gz CURPALAVNFZWDL-QLFBSQMISA-N 2 1 267.461 2.227 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422997037 376914975 /nfs/dbraw/zinc/91/49/75/376914975.db2.gz NDJKQNCOPFTVIG-OWCLPIDISA-N 2 1 267.461 2.227 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c2ccccc2n1 ZINC000423003822 376921937 /nfs/dbraw/zinc/92/19/37/376921937.db2.gz IVUAYDIAGOKVHY-DZGCQCFKSA-N 2 1 271.364 2.213 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423082810 376976762 /nfs/dbraw/zinc/97/67/62/376976762.db2.gz XTRSDLZKWWJTKX-PQEBFOHHSA-N 2 1 274.408 2.352 20 0 CEADMP C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)[C@H]1CCCC[NH2+]1 ZINC000423057306 376952316 /nfs/dbraw/zinc/95/23/16/376952316.db2.gz ZGCBMOVDXNGRQM-UKRRQHHQSA-N 2 1 286.423 2.236 20 0 CEADMP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1F ZINC000423117106 377013183 /nfs/dbraw/zinc/01/31/83/377013183.db2.gz SZQVPPPOQOXZIK-JHJVBQTASA-N 2 1 264.344 2.032 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CSc2ccccc21 ZINC000423144930 377045335 /nfs/dbraw/zinc/04/53/35/377045335.db2.gz IJMBVGRIRHOOCE-BZPMIXESSA-N 2 1 262.422 2.464 20 0 CEADMP FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423096764 376991320 /nfs/dbraw/zinc/99/13/20/376991320.db2.gz PTKHRQLCAHXMJO-DGAVXFQQSA-N 2 1 288.382 2.169 20 0 CEADMP Cc1cc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)n(C)n1 ZINC000423108048 376999706 /nfs/dbraw/zinc/99/97/06/376999706.db2.gz QQRWELSAGACHFN-TZMCWYRMSA-N 2 1 264.417 2.129 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000423164124 377067332 /nfs/dbraw/zinc/06/73/32/377067332.db2.gz NZPPNGRCSRNGQV-LSDHHAIUSA-N 3 1 253.434 2.110 20 0 CEADMP C[N@H+](CCCC[NH2+][C@@H]1CCCCC[C@@H]1N)C1CC1 ZINC000423164124 377067339 /nfs/dbraw/zinc/06/73/39/377067339.db2.gz NZPPNGRCSRNGQV-LSDHHAIUSA-N 2 1 253.434 2.110 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCCC[C@@H]1N)C1CC1 ZINC000423164124 377067348 /nfs/dbraw/zinc/06/73/48/377067348.db2.gz NZPPNGRCSRNGQV-LSDHHAIUSA-N 2 1 253.434 2.110 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@H](C)c1c[nH+]ccc1N)C2 ZINC000423164849 377070527 /nfs/dbraw/zinc/07/05/27/377070527.db2.gz AKVYLNVWDQRRBL-DGCLKSJQSA-N 2 1 283.375 2.321 20 0 CEADMP c1[nH+]cn2cc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccc12 ZINC000423170720 377076364 /nfs/dbraw/zinc/07/63/64/377076364.db2.gz MURBOHZJWBFCEY-GVDBMIGSSA-N 2 1 284.407 2.345 20 0 CEADMP COCC[C@H]1CCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423189313 377102003 /nfs/dbraw/zinc/10/20/03/377102003.db2.gz PCCCRGMMYAGKRN-IAGOWNOFSA-N 2 1 291.439 2.356 20 0 CEADMP COC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCCC1 ZINC000423191246 377104322 /nfs/dbraw/zinc/10/43/22/377104322.db2.gz SLWPAIFXVIUTOP-KRWDZBQOSA-N 2 1 291.439 2.356 20 0 CEADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1OC ZINC000423216780 377134305 /nfs/dbraw/zinc/13/43/05/377134305.db2.gz QXDLGSNSOWGSIC-YRGRVCCFSA-N 2 1 278.396 2.147 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1(CC)CC ZINC000423237857 377156912 /nfs/dbraw/zinc/15/69/12/377156912.db2.gz QGBPKBSNFHDCGO-BFHYXJOUSA-N 2 1 254.418 2.312 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000423243322 377162181 /nfs/dbraw/zinc/16/21/81/377162181.db2.gz WEPZZBKLHSCLIS-ZIAGYGMSSA-N 2 1 270.417 2.088 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000423249223 377170689 /nfs/dbraw/zinc/17/06/89/377170689.db2.gz RYYWRNGNDINGRH-STQMWFEESA-N 2 1 280.412 2.395 20 0 CEADMP CC[NH2+]CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423253743 377175111 /nfs/dbraw/zinc/17/51/11/377175111.db2.gz ZNZSEOOXJPZPRL-NNZMDNLPSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)[C@@H]1CCCOC1 ZINC000423266811 377184892 /nfs/dbraw/zinc/18/48/92/377184892.db2.gz SHFKPIMLKPHLNE-NWANDNLSSA-N 2 1 254.418 2.299 20 0 CEADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]([NH3+])C(C)C ZINC000423268179 377186127 /nfs/dbraw/zinc/18/61/27/377186127.db2.gz GHUCFZVNYOGRRW-STQMWFEESA-N 2 1 266.360 2.395 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(C(=O)OC)cs1 ZINC000423267813 377186197 /nfs/dbraw/zinc/18/61/97/377186197.db2.gz FGUMMROCTAYBMT-ZJUUUORDSA-N 2 1 270.398 2.041 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(-n2ccnc2)cc1 ZINC000423281830 377208982 /nfs/dbraw/zinc/20/89/82/377208982.db2.gz BYQYAYRJIOSJAI-LBPRGKRZSA-N 2 1 258.369 2.260 20 0 CEADMP C[C@H]([NH2+][C@H](CN)C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423283032 377210068 /nfs/dbraw/zinc/21/00/68/377210068.db2.gz VRBVBELLPUONJN-SUMWQHHRSA-N 2 1 291.439 2.015 20 0 CEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423283032 377210079 /nfs/dbraw/zinc/21/00/79/377210079.db2.gz VRBVBELLPUONJN-SUMWQHHRSA-N 3 1 291.439 2.015 20 0 CEADMP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423286037 377214382 /nfs/dbraw/zinc/21/43/82/377214382.db2.gz ZGNZUHNLBKVHFN-MEBBXXQBSA-N 2 1 261.369 2.033 20 0 CEADMP COCCOc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1OC ZINC000423286966 377216246 /nfs/dbraw/zinc/21/62/46/377216246.db2.gz JSDYTYSRWNYZOM-LBPRGKRZSA-N 2 1 296.411 2.108 20 0 CEADMP CCOCCC[N@H+]1CC[C@H](NCC([NH3+])(CC)CC)[C@H](C)C1 ZINC000423287287 377216348 /nfs/dbraw/zinc/21/63/48/377216348.db2.gz LGMLQAQCYFNNDA-CVEARBPZSA-N 2 1 299.503 2.231 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423298080 377226874 /nfs/dbraw/zinc/22/68/74/377226874.db2.gz NBNJXIFIQDLUHH-SWLSCSKDSA-N 2 1 250.386 2.347 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ncc(-c2ccccc2)n1C ZINC000423302648 377232208 /nfs/dbraw/zinc/23/22/08/377232208.db2.gz HPWMKDKSJRMRNO-QWHCGFSZSA-N 2 1 272.396 2.333 20 0 CEADMP CC(C)[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](C)[NH3+] ZINC000423337055 377268608 /nfs/dbraw/zinc/26/86/08/377268608.db2.gz SWRKLNQJTOFVKI-QXSJWSMHSA-N 2 1 297.487 2.090 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(C(=O)OC)cc1 ZINC000423311296 377240483 /nfs/dbraw/zinc/24/04/83/377240483.db2.gz BSZFUUFCVJXSOW-CABCVRRESA-N 2 1 276.380 2.251 20 0 CEADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423323829 377255027 /nfs/dbraw/zinc/25/50/27/377255027.db2.gz OXAWZVTXBBYMPF-DYVFJYSZSA-N 3 1 291.439 2.015 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423337991 377269612 /nfs/dbraw/zinc/26/96/12/377269612.db2.gz HWXGDPWBZRLYRT-VQIMIIECSA-N 3 1 299.462 2.406 20 0 CEADMP COc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000564324435 377375466 /nfs/dbraw/zinc/37/54/66/377375466.db2.gz GHZKERHCCBKWIS-CZUORRHYSA-N 2 1 262.397 2.467 20 0 CEADMP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000564324435 377375469 /nfs/dbraw/zinc/37/54/69/377375469.db2.gz GHZKERHCCBKWIS-CZUORRHYSA-N 2 1 262.397 2.467 20 0 CEADMP COc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000564324435 377375478 /nfs/dbraw/zinc/37/54/78/377375478.db2.gz GHZKERHCCBKWIS-CZUORRHYSA-N 2 1 262.397 2.467 20 0 CEADMP COc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000564324435 377375481 /nfs/dbraw/zinc/37/54/81/377375481.db2.gz GHZKERHCCBKWIS-CZUORRHYSA-N 2 1 262.397 2.467 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000564085317 377345038 /nfs/dbraw/zinc/34/50/38/377345038.db2.gz KWSQHHXCZHVFNK-QLFBSQMISA-N 2 1 295.471 2.286 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000564913186 377501027 /nfs/dbraw/zinc/50/10/27/377501027.db2.gz CYHIIZHHWFBTTO-PMPSAXMXSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@H]1C[N@@H+](CCCOCCc2ccccc2)CC[C@H]1[NH3+] ZINC000430921908 377564966 /nfs/dbraw/zinc/56/49/66/377564966.db2.gz VSGBNPKTDTXUNS-DOTOQJQBSA-N 2 1 276.424 2.305 20 0 CEADMP C[NH+](C)[C@H](CNC(=O)C(C)(C)C[NH3+])c1ccccc1Cl ZINC000430837362 377554715 /nfs/dbraw/zinc/55/47/15/377554715.db2.gz JRNODRILDQJZNQ-CYBMUJFWSA-N 2 1 297.830 2.044 20 0 CEADMP c1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCO2 ZINC000166018597 542181325 /nfs/dbraw/zinc/18/13/25/542181325.db2.gz LEZGFSOUBHEXMZ-LSDHHAIUSA-N 2 1 288.391 2.174 20 0 CEADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CCCC[C@@H]2C)CC[C@H]1[NH3+] ZINC000430956052 377573189 /nfs/dbraw/zinc/57/31/89/377573189.db2.gz JRTOFUOMEGUOMT-GBJTYRQASA-N 2 1 254.418 2.251 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000430967051 377578493 /nfs/dbraw/zinc/57/84/93/377578493.db2.gz QIEQZAWEIRMVRW-RRFJBIMHSA-N 2 1 283.460 2.080 20 0 CEADMP Cn1c[nH+]cc1CCCN1CCO[C@@H](c2ccsc2)C1 ZINC000565158573 377575447 /nfs/dbraw/zinc/57/54/47/377575447.db2.gz SZXICBMYMGKZLA-OAHLLOKOSA-N 2 1 291.420 2.488 20 0 CEADMP CC[C@@]1(C)CCCN(Cc2nc(C(C)(C)N)no2)C1 ZINC000431073994 377594170 /nfs/dbraw/zinc/59/41/70/377594170.db2.gz OOCVDPKDGONXRT-AWEZNQCLSA-N 2 1 266.389 2.276 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C[C@H]1C ZINC000565218449 377614008 /nfs/dbraw/zinc/61/40/08/377614008.db2.gz OCUIFGIBXVWGOC-RBSFLKMASA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[NH+](C)C ZINC000566924111 377783438 /nfs/dbraw/zinc/78/34/38/377783438.db2.gz MQQMCFFJXILECA-FZMZJTMJSA-N 2 1 297.830 2.009 20 0 CEADMP C[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432366301 377754936 /nfs/dbraw/zinc/75/49/36/377754936.db2.gz DWEGUDQGEWITDY-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432366301 377754941 /nfs/dbraw/zinc/75/49/41/377754941.db2.gz DWEGUDQGEWITDY-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000441347034 377936831 /nfs/dbraw/zinc/93/68/31/377936831.db2.gz KKCTVMNQWOCYBG-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)[C@@H]1C ZINC000442878065 378012125 /nfs/dbraw/zinc/01/21/25/378012125.db2.gz SEIZFOYYQWHMEA-OAGGEKHMSA-N 2 1 281.488 2.427 20 0 CEADMP COc1cccc(CCC[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000442763234 377993599 /nfs/dbraw/zinc/99/35/99/377993599.db2.gz AXYSICPAMVDGOC-UKRRQHHQSA-N 2 1 262.397 2.297 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000442788708 377996003 /nfs/dbraw/zinc/99/60/03/377996003.db2.gz IVEGMRGGIFKEHD-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000442788708 377996006 /nfs/dbraw/zinc/99/60/06/377996006.db2.gz IVEGMRGGIFKEHD-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP CO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000443064915 378033136 /nfs/dbraw/zinc/03/31/36/378033136.db2.gz ZBLDNRLSDNHFTF-NEPJUHHUSA-N 2 1 283.441 2.411 20 0 CEADMP CO[C@H](C)c1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000443064915 378033139 /nfs/dbraw/zinc/03/31/39/378033139.db2.gz ZBLDNRLSDNHFTF-NEPJUHHUSA-N 2 1 283.441 2.411 20 0 CEADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443071963 378035776 /nfs/dbraw/zinc/03/57/76/378035776.db2.gz NDUYUTDMYXZDRD-OAGGEKHMSA-N 2 1 295.471 2.084 20 0 CEADMP CCc1ccc2[nH+]ccc(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2c1 ZINC000450386112 378386868 /nfs/dbraw/zinc/38/68/68/378386868.db2.gz GLPHGGCXTOBNJT-ZWKOTPCHSA-N 2 1 297.402 2.316 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1([NH3+])CCC1 ZINC000296198516 378449272 /nfs/dbraw/zinc/44/92/72/378449272.db2.gz ZAFIGXKCWDLXKU-UHFFFAOYSA-N 2 1 289.423 2.024 20 0 CEADMP CCC[NH+]1CCC([N@H+](C)CCc2cscn2)CC1 ZINC000450468560 378434537 /nfs/dbraw/zinc/43/45/37/378434537.db2.gz OMOZMUMWYXRFDB-UHFFFAOYSA-N 2 1 267.442 2.492 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCc2cscn2)CC1 ZINC000450468560 378434539 /nfs/dbraw/zinc/43/45/39/378434539.db2.gz OMOZMUMWYXRFDB-UHFFFAOYSA-N 2 1 267.442 2.492 20 0 CEADMP CCc1cc(N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)cc[nH+]1 ZINC000450476905 378438659 /nfs/dbraw/zinc/43/86/59/378438659.db2.gz SNJCUJKUNMAGDO-MRXNPFEDSA-N 2 1 297.406 2.145 20 0 CEADMP CCc1cc(N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)cc[nH+]1 ZINC000450476905 378438661 /nfs/dbraw/zinc/43/86/61/378438661.db2.gz SNJCUJKUNMAGDO-MRXNPFEDSA-N 2 1 297.406 2.145 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cscn2)[C@H](C)C1 ZINC000450563592 378477606 /nfs/dbraw/zinc/47/76/06/378477606.db2.gz ISYNUVFESKSDDK-TZMCWYRMSA-N 2 1 267.442 2.348 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cscn2)[C@H](C)C1 ZINC000450563592 378477612 /nfs/dbraw/zinc/47/76/12/378477612.db2.gz ISYNUVFESKSDDK-TZMCWYRMSA-N 2 1 267.442 2.348 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cscn2)[C@H](C)C1 ZINC000450563592 378477618 /nfs/dbraw/zinc/47/76/18/378477618.db2.gz ISYNUVFESKSDDK-TZMCWYRMSA-N 2 1 267.442 2.348 20 0 CEADMP C[C@@H](O)CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450636254 378511146 /nfs/dbraw/zinc/51/11/46/378511146.db2.gz DDBJABISRTTYIM-CQSZACIVSA-N 2 1 277.412 2.001 20 0 CEADMP COC(=O)C1(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000450722709 378548814 /nfs/dbraw/zinc/54/88/14/378548814.db2.gz AKKDRQQDIDGBPL-UONOGXRCSA-N 2 1 294.439 2.182 20 0 CEADMP c1cc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc2c1OCC2 ZINC000298478636 378739766 /nfs/dbraw/zinc/73/97/66/378739766.db2.gz PIZVCIPCRSUDHO-UHFFFAOYSA-N 2 1 286.419 2.380 20 0 CEADMP Fc1ccccc1OCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298369318 378707719 /nfs/dbraw/zinc/70/77/19/378707719.db2.gz KNADFIAZBLRDQE-UHFFFAOYSA-N 2 1 278.371 2.421 20 0 CEADMP c1cc2c(nc[nH+]c2N2CC[C@H](C[NH+]3CCCCC3)C2)[nH]1 ZINC000266208010 190240109 /nfs/dbraw/zinc/24/01/09/190240109.db2.gz FNMMNCYUSMDMIM-CYBMUJFWSA-N 2 1 285.395 2.270 20 0 CEADMP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1F ZINC000298543678 378762052 /nfs/dbraw/zinc/76/20/52/378762052.db2.gz TYBFSNYLBXTMPE-MRXNPFEDSA-N 2 1 278.371 2.076 20 0 CEADMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCC1 ZINC000453090280 378798345 /nfs/dbraw/zinc/79/83/45/378798345.db2.gz CBMISXFGYKZHOJ-HOTGVXAUSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1CCc2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)sc2C1 ZINC000346819398 218022750 /nfs/dbraw/zinc/02/27/50/218022750.db2.gz BRHIJRNQQHIFPA-YVECIDJPSA-N 2 1 291.464 2.437 20 0 CEADMP C[C@@H]1CCc2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)sc2C1 ZINC000346819398 218022752 /nfs/dbraw/zinc/02/27/52/218022752.db2.gz BRHIJRNQQHIFPA-YVECIDJPSA-N 2 1 291.464 2.437 20 0 CEADMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(-c2ccccc2)n1 ZINC000346821525 218023898 /nfs/dbraw/zinc/02/38/98/218023898.db2.gz IJZNFVICJLZCMH-XIRDDKMYSA-N 2 1 296.418 2.256 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3NCC4)C[C@@H]21 ZINC000346833769 218027579 /nfs/dbraw/zinc/02/75/79/218027579.db2.gz MOEIGPZKRHJNIW-VNQPRFMTSA-N 2 1 271.408 2.214 20 0 CEADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000453307363 378858689 /nfs/dbraw/zinc/85/86/89/378858689.db2.gz KLQKXGYBJIIXNH-UAGQMJEPSA-N 2 1 273.424 2.395 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H]2CCC[C@@H]21 ZINC000453337946 378866335 /nfs/dbraw/zinc/86/63/35/378866335.db2.gz BWGWAJJFLISSTA-IHRRRGAJSA-N 2 1 268.445 2.246 20 0 CEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)OC ZINC000453240925 378837163 /nfs/dbraw/zinc/83/71/63/378837163.db2.gz CPXOGYDXVYMVDQ-KBUPBQIOSA-N 2 1 254.418 2.264 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cn1 ZINC000453394816 378885251 /nfs/dbraw/zinc/88/52/51/378885251.db2.gz HFPCUCJXACKDRC-ZDUSSCGKSA-N 2 1 264.417 2.428 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC[NH+](C)C1CC1 ZINC000453416337 378896087 /nfs/dbraw/zinc/89/60/87/378896087.db2.gz XGLXIUINXCTQFT-YCPHGPKFSA-N 3 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453416337 378896093 /nfs/dbraw/zinc/89/60/93/378896093.db2.gz XGLXIUINXCTQFT-YCPHGPKFSA-N 3 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453416337 378896096 /nfs/dbraw/zinc/89/60/96/378896096.db2.gz XGLXIUINXCTQFT-YCPHGPKFSA-N 3 1 267.461 2.179 20 0 CEADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453416337 378896100 /nfs/dbraw/zinc/89/61/00/378896100.db2.gz XGLXIUINXCTQFT-YCPHGPKFSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453416337 378896106 /nfs/dbraw/zinc/89/61/06/378896106.db2.gz XGLXIUINXCTQFT-YCPHGPKFSA-N 2 1 267.461 2.179 20 0 CEADMP COC1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453417609 378896798 /nfs/dbraw/zinc/89/67/98/378896798.db2.gz XVXOFBAPWQADTO-UHFFFAOYSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)nc1 ZINC000453424137 378899927 /nfs/dbraw/zinc/89/99/27/378899927.db2.gz MYSGJCBPGGLQFP-IIAWOOMASA-N 2 1 261.413 2.251 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000453373165 378878376 /nfs/dbraw/zinc/87/83/76/378878376.db2.gz WULZXWKJYLIAOL-YJNKXOJESA-N 2 1 276.428 2.426 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000453373165 378878380 /nfs/dbraw/zinc/87/83/80/378878380.db2.gz WULZXWKJYLIAOL-YJNKXOJESA-N 2 1 276.428 2.426 20 0 CEADMP CCC[N@H+](Cc1cc(C(=O)OC)co1)C1CC[NH2+]CC1 ZINC000347008722 218091277 /nfs/dbraw/zinc/09/12/77/218091277.db2.gz SACDWMFHJOFHTA-UHFFFAOYSA-N 2 1 280.368 2.030 20 0 CEADMP CCC[N@@H+](Cc1cc(C(=O)OC)co1)C1CC[NH2+]CC1 ZINC000347008722 218091279 /nfs/dbraw/zinc/09/12/79/218091279.db2.gz SACDWMFHJOFHTA-UHFFFAOYSA-N 2 1 280.368 2.030 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000346998516 218085488 /nfs/dbraw/zinc/08/54/88/218085488.db2.gz DBTLPWKZGZUMAK-JSGCOSHPSA-N 2 1 278.396 2.263 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000346998516 218085489 /nfs/dbraw/zinc/08/54/89/218085489.db2.gz DBTLPWKZGZUMAK-JSGCOSHPSA-N 2 1 278.396 2.263 20 0 CEADMP Cn1ncc(Cl)c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453604330 378920581 /nfs/dbraw/zinc/92/05/81/378920581.db2.gz ZGPWDOTYGQYYKS-UHFFFAOYSA-N 2 1 270.808 2.038 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000347033860 218099000 /nfs/dbraw/zinc/09/90/00/218099000.db2.gz BBNPIAGQYWOCLZ-GFCCVEGCSA-N 2 1 288.313 2.408 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000347036988 218099837 /nfs/dbraw/zinc/09/98/37/218099837.db2.gz FGXVTYHIVHMTBZ-CQSZACIVSA-N 2 1 284.407 2.128 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347043361 218102734 /nfs/dbraw/zinc/10/27/34/218102734.db2.gz MEJNDCZSTPOYGY-CYBMUJFWSA-N 2 1 264.417 2.036 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347043361 218102735 /nfs/dbraw/zinc/10/27/35/218102735.db2.gz MEJNDCZSTPOYGY-CYBMUJFWSA-N 2 1 264.417 2.036 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000347088610 218117857 /nfs/dbraw/zinc/11/78/57/218117857.db2.gz FLNFTEPUKPWQPS-LLVKDONJSA-N 2 1 288.313 2.408 20 0 CEADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH3+])C3)s2)o1 ZINC000347115304 218126719 /nfs/dbraw/zinc/12/67/19/218126719.db2.gz SZHWMUAAQMOEKA-NSHDSACASA-N 2 1 277.393 2.492 20 0 CEADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](C[NH3+])C3)s2)o1 ZINC000347115304 218126720 /nfs/dbraw/zinc/12/67/20/218126720.db2.gz SZHWMUAAQMOEKA-NSHDSACASA-N 2 1 277.393 2.492 20 0 CEADMP COC1CC([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000347383677 218215590 /nfs/dbraw/zinc/21/55/90/218215590.db2.gz YSHVJMNZZNYZME-AOCRQIFASA-N 2 1 288.435 2.318 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC2CCOCC2)[C@H](C)C1 ZINC000347434737 218234390 /nfs/dbraw/zinc/23/43/90/218234390.db2.gz UHLIHEWHPKMLJZ-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180312741 542263141 /nfs/dbraw/zinc/26/31/41/542263141.db2.gz WTLGGSNHUDJUOK-HZSPNIEDSA-N 2 1 294.443 2.258 20 0 CEADMP CCCn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000300046092 379152783 /nfs/dbraw/zinc/15/27/83/379152783.db2.gz VXQICFONHVKAAY-GJZGRUSLSA-N 2 1 262.401 2.010 20 0 CEADMP CCCn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000300046092 379152788 /nfs/dbraw/zinc/15/27/88/379152788.db2.gz VXQICFONHVKAAY-GJZGRUSLSA-N 2 1 262.401 2.010 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000180458865 542264698 /nfs/dbraw/zinc/26/46/98/542264698.db2.gz SNNXSRRTQLEEAC-GXTWGEPZSA-N 2 1 264.417 2.489 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000180458865 542264700 /nfs/dbraw/zinc/26/47/00/542264700.db2.gz SNNXSRRTQLEEAC-GXTWGEPZSA-N 2 1 264.417 2.489 20 0 CEADMP COCCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000300413857 379169452 /nfs/dbraw/zinc/16/94/52/379169452.db2.gz GWWIICOQYQSWKI-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@](C)(O)CC1 ZINC000300428545 379173886 /nfs/dbraw/zinc/17/38/86/379173886.db2.gz YCQHHJLNQZDLNX-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@](C)(O)CC1 ZINC000300428545 379173895 /nfs/dbraw/zinc/17/38/95/379173895.db2.gz YCQHHJLNQZDLNX-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@](C)(O)CC1 ZINC000300428545 379173904 /nfs/dbraw/zinc/17/39/04/379173904.db2.gz YCQHHJLNQZDLNX-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1C(C)C ZINC000515433496 379219406 /nfs/dbraw/zinc/21/94/06/379219406.db2.gz YJNYTRKPKGXXKH-PMPSAXMXSA-N 2 1 270.461 2.300 20 0 CEADMP CC(C)[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H]1C(C)C ZINC000515433496 379219412 /nfs/dbraw/zinc/21/94/12/379219412.db2.gz YJNYTRKPKGXXKH-PMPSAXMXSA-N 2 1 270.461 2.300 20 0 CEADMP CC(C)[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H]1C(C)C ZINC000515433496 379219418 /nfs/dbraw/zinc/21/94/18/379219418.db2.gz YJNYTRKPKGXXKH-PMPSAXMXSA-N 2 1 270.461 2.300 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccnc(OC)c2)C1 ZINC000515500446 379227738 /nfs/dbraw/zinc/22/77/38/379227738.db2.gz VWLKHMTUDODIEJ-ZIAGYGMSSA-N 2 1 277.412 2.473 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccnc(OC)c2)C1 ZINC000515500446 379227744 /nfs/dbraw/zinc/22/77/44/379227744.db2.gz VWLKHMTUDODIEJ-ZIAGYGMSSA-N 2 1 277.412 2.473 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000517033280 379338476 /nfs/dbraw/zinc/33/84/76/379338476.db2.gz QFTYDLLHFVIHRA-ZIAGYGMSSA-N 2 1 289.423 2.120 20 0 CEADMP Cc1cc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000302385071 379366121 /nfs/dbraw/zinc/36/61/21/379366121.db2.gz FAJZVSDVLFGCIQ-ZWKOTPCHSA-N 2 1 297.402 2.437 20 0 CEADMP CC[N@@H+]1C[C@@H](C)N(CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000347706267 218328894 /nfs/dbraw/zinc/32/88/94/218328894.db2.gz NVNKFTOXQJMCCI-IYBDPMFKSA-N 2 1 267.461 2.277 20 0 CEADMP CCC(CC)(CCO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000305151582 379662795 /nfs/dbraw/zinc/66/27/95/379662795.db2.gz OWUVAELEZBYQAZ-QLFBSQMISA-N 2 1 270.461 2.494 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCC(C)(C)CO ZINC000305177379 379673476 /nfs/dbraw/zinc/67/34/76/379673476.db2.gz VNTNUCNJGLZNEP-HZSPNIEDSA-N 2 1 256.434 2.103 20 0 CEADMP O[C@@H]1CCCC[C@@H]1[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000305645577 379723213 /nfs/dbraw/zinc/72/32/13/379723213.db2.gz ANEHOPDDAIZIKO-HRCADAONSA-N 2 1 266.429 2.240 20 0 CEADMP CCC(=O)CCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000347755764 218346717 /nfs/dbraw/zinc/34/67/17/218346717.db2.gz XUBOKYLEBGQWPO-UHFFFAOYSA-N 2 1 277.412 2.434 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527660398 379786874 /nfs/dbraw/zinc/78/68/74/379786874.db2.gz PPKONGMECOQVGD-SNPRPXQTSA-N 2 1 266.429 2.121 20 0 CEADMP C/C(Cl)=C/C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000528421434 379966038 /nfs/dbraw/zinc/96/60/38/379966038.db2.gz ODVVDDCTTFAAAW-FKWOOBLNSA-N 2 1 272.820 2.313 20 0 CEADMP C/C(Cl)=C/C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000528421434 379966043 /nfs/dbraw/zinc/96/60/43/379966043.db2.gz ODVVDDCTTFAAAW-FKWOOBLNSA-N 2 1 272.820 2.313 20 0 CEADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000528753627 380078742 /nfs/dbraw/zinc/07/87/42/380078742.db2.gz HBFVOMZZMRXIGJ-SBJFKYEJSA-N 2 1 254.418 2.262 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCSCCOC)C1 ZINC000488461051 380098428 /nfs/dbraw/zinc/09/84/28/380098428.db2.gz NKUWPUYQXXIGJA-AWEZNQCLSA-N 2 1 274.474 2.030 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCSCCOC)C1 ZINC000488461051 380098441 /nfs/dbraw/zinc/09/84/41/380098441.db2.gz NKUWPUYQXXIGJA-AWEZNQCLSA-N 2 1 274.474 2.030 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCSCCOC)C1 ZINC000488461051 380098451 /nfs/dbraw/zinc/09/84/51/380098451.db2.gz NKUWPUYQXXIGJA-AWEZNQCLSA-N 2 1 274.474 2.030 20 0 CEADMP c1cn2c([nH+]1)C[C@H](Nc1cc[nH+]c3ccccc13)CC2 ZINC000489940864 380224303 /nfs/dbraw/zinc/22/43/03/380224303.db2.gz WDVJDBJOLBJYAI-GFCCVEGCSA-N 2 1 264.332 2.280 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)/C=C/C[NH+](C)C)C1 ZINC000491884760 380371863 /nfs/dbraw/zinc/37/18/63/380371863.db2.gz NNCMPKAGMZBTQQ-HQPKTYMTSA-N 2 1 295.471 2.121 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)C1CCCCC1 ZINC000543840582 380348378 /nfs/dbraw/zinc/34/83/78/380348378.db2.gz UVFAROVRHFSKTP-HUUCEWRRSA-N 2 1 254.418 2.002 20 0 CEADMP Cc1ncsc1CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334463375 380448956 /nfs/dbraw/zinc/44/89/56/380448956.db2.gz ZAKBCQWKEHXXSB-OAHLLOKOSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1ncsc1CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334463375 380448960 /nfs/dbraw/zinc/44/89/60/380448960.db2.gz ZAKBCQWKEHXXSB-OAHLLOKOSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334463375 380448967 /nfs/dbraw/zinc/44/89/67/380448967.db2.gz ZAKBCQWKEHXXSB-OAHLLOKOSA-N 2 1 279.453 2.412 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000552097482 380684355 /nfs/dbraw/zinc/68/43/55/380684355.db2.gz CYIOZVNZHVKUBC-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000552097482 380684357 /nfs/dbraw/zinc/68/43/57/380684357.db2.gz CYIOZVNZHVKUBC-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)[C@@H](C)C1 ZINC000554117463 380758397 /nfs/dbraw/zinc/75/83/97/380758397.db2.gz GGMUNSMIRHWKNV-JONQDZQNSA-N 2 1 268.445 2.105 20 0 CEADMP CC[C@@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000552820150 380714508 /nfs/dbraw/zinc/71/45/08/380714508.db2.gz AIEPDQONUHLSIF-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CN(C[C@H](O)C[N@@H+]1CCc2ccccc2C1(C)C)C1CC1 ZINC000554936190 380803680 /nfs/dbraw/zinc/80/36/80/380803680.db2.gz PHHWBTCAXDAFHA-INIZCTEOSA-N 2 1 288.435 2.235 20 0 CEADMP CN(C[C@H](O)C[N@H+]1CCc2ccccc2C1(C)C)C1CC1 ZINC000554936190 380803688 /nfs/dbraw/zinc/80/36/88/380803688.db2.gz PHHWBTCAXDAFHA-INIZCTEOSA-N 2 1 288.435 2.235 20 0 CEADMP CCC[NH+]1CCC(NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000556045158 380864275 /nfs/dbraw/zinc/86/42/75/380864275.db2.gz ACUFDRLGVSGIOG-KRWDZBQOSA-N 2 1 279.472 2.467 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCCN2C2CC2)CC1 ZINC000556045158 380864281 /nfs/dbraw/zinc/86/42/81/380864281.db2.gz ACUFDRLGVSGIOG-KRWDZBQOSA-N 2 1 279.472 2.467 20 0 CEADMP CC1=CC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000556257095 380888768 /nfs/dbraw/zinc/88/87/68/380888768.db2.gz VCDWMYDTJPEZDA-HNNXBMFYSA-N 2 1 265.445 2.101 20 0 CEADMP C[C@H]1C[C@H](CN2CC[N@@H+](C)CC23CCCCC3)CC[NH2+]1 ZINC000334858242 207198279 /nfs/dbraw/zinc/19/82/79/207198279.db2.gz CDWYNWXETGDDKN-JKSUJKDBSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000334856362 207192948 /nfs/dbraw/zinc/19/29/48/207192948.db2.gz HXLPYZJURJESCO-YGRLFVJLSA-N 2 1 280.799 2.363 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000581318566 322386552 /nfs/dbraw/zinc/38/65/52/322386552.db2.gz ZICGBAOJXZGVRG-BFHYXJOUSA-N 2 1 256.434 2.103 20 0 CEADMP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000334975177 207399692 /nfs/dbraw/zinc/39/96/92/207399692.db2.gz QIKRMUNEVALHGC-PWSUYJOCSA-N 2 1 276.359 2.064 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000335004407 207448869 /nfs/dbraw/zinc/44/88/69/207448869.db2.gz XXQIAXYPGYQQPQ-JSGCOSHPSA-N 2 1 272.396 2.202 20 0 CEADMP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000335029925 207501587 /nfs/dbraw/zinc/50/15/87/207501587.db2.gz LHXNJMJJHFYVFV-ZFWWWQNUSA-N 2 1 280.799 2.295 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCO[C@H]2CC(C)C)CC1 ZINC000360044209 285012912 /nfs/dbraw/zinc/01/29/12/285012912.db2.gz CEIPKHGCRMQJDN-SJORKVTESA-N 2 1 298.471 2.281 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289411891 197334091 /nfs/dbraw/zinc/33/40/91/197334091.db2.gz HYGYUNVSLFRZEY-JCGIZDLHSA-N 2 1 288.435 2.258 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(N)=O)c2)C[C@@H]1C ZINC000353753670 220305266 /nfs/dbraw/zinc/30/52/66/220305266.db2.gz XJVYVSIUXPDTAA-XJKSGUPXSA-N 2 1 289.423 2.090 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(N)=O)c2)C[C@@H]1C ZINC000353753670 220305268 /nfs/dbraw/zinc/30/52/68/220305268.db2.gz XJVYVSIUXPDTAA-XJKSGUPXSA-N 2 1 289.423 2.090 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(N)=O)c2)C[C@@H]1C ZINC000353753670 220305271 /nfs/dbraw/zinc/30/52/71/220305271.db2.gz XJVYVSIUXPDTAA-XJKSGUPXSA-N 2 1 289.423 2.090 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(N)=O)c2)C[C@@H]1C ZINC000353753670 220305275 /nfs/dbraw/zinc/30/52/75/220305275.db2.gz XJVYVSIUXPDTAA-XJKSGUPXSA-N 2 1 289.423 2.090 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](C)c1ccccc1 ZINC000289304095 197290348 /nfs/dbraw/zinc/29/03/48/197290348.db2.gz BWGFBECOYCETSF-JKIFEVAISA-N 2 1 276.424 2.223 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](C)c1ccccc1 ZINC000289304095 197290349 /nfs/dbraw/zinc/29/03/49/197290349.db2.gz BWGFBECOYCETSF-JKIFEVAISA-N 2 1 276.424 2.223 20 0 CEADMP Cc1ccncc1CCC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000289280663 197284169 /nfs/dbraw/zinc/28/41/69/197284169.db2.gz OPQLTTRLNJROKN-HNNXBMFYSA-N 2 1 273.424 2.397 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000355509435 285201865 /nfs/dbraw/zinc/20/18/65/285201865.db2.gz PKDVTDYZPVHXAD-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1ccnc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000287500485 196869852 /nfs/dbraw/zinc/86/98/52/196869852.db2.gz NSANZZVCEYKJDA-HNNXBMFYSA-N 2 1 290.455 2.067 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281290489 195183510 /nfs/dbraw/zinc/18/35/10/195183510.db2.gz QKLJXTHUPQUQDE-INIZCTEOSA-N 2 1 295.402 2.230 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281290489 195183511 /nfs/dbraw/zinc/18/35/11/195183511.db2.gz QKLJXTHUPQUQDE-INIZCTEOSA-N 2 1 295.402 2.230 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ncc(Cl)n1C ZINC000281602375 195304840 /nfs/dbraw/zinc/30/48/40/195304840.db2.gz FYQUEHIPIQVHPP-SNVBAGLBSA-N 2 1 281.791 2.004 20 0 CEADMP COC(=O)[C@]1(C)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000412060714 533586913 /nfs/dbraw/zinc/58/69/13/533586913.db2.gz GRNGWSHDVXTKCA-MRXNPFEDSA-N 2 1 282.428 2.138 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNc1nccc(N(C)C)n1 ZINC000301739414 394464738 /nfs/dbraw/zinc/46/47/38/394464738.db2.gz SXZHMVWHUPYMMX-ZDUSSCGKSA-N 2 1 277.416 2.219 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCCNc1nc(N(C)C)cc[nH+]1 ZINC000301739414 394464742 /nfs/dbraw/zinc/46/47/42/394464742.db2.gz SXZHMVWHUPYMMX-ZDUSSCGKSA-N 2 1 277.416 2.219 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNc1nc(N(C)C)cc[nH+]1 ZINC000301739414 394464745 /nfs/dbraw/zinc/46/47/45/394464745.db2.gz SXZHMVWHUPYMMX-ZDUSSCGKSA-N 2 1 277.416 2.219 20 0 CEADMP CC(C)[N@H+](C)CCNc1cc(NCC2CC2)[nH+]cn1 ZINC000301838688 394465759 /nfs/dbraw/zinc/46/57/59/394465759.db2.gz WYJZKWYPRQOCTD-UHFFFAOYSA-N 2 1 263.389 2.051 20 0 CEADMP CC(C)[N@@H+](C)CCNc1cc(NCC2CC2)[nH+]cn1 ZINC000301838688 394465768 /nfs/dbraw/zinc/46/57/68/394465768.db2.gz WYJZKWYPRQOCTD-UHFFFAOYSA-N 2 1 263.389 2.051 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000305107964 394492892 /nfs/dbraw/zinc/49/28/92/394492892.db2.gz BVTPISIVTXHMSQ-ZNMIVQPWSA-N 2 1 256.434 2.103 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000305734321 394510968 /nfs/dbraw/zinc/51/09/68/394510968.db2.gz WJHAFRNNCFRIOT-WBAXXEDZSA-N 2 1 288.435 2.308 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@]1(CO)CC(C)C ZINC000355738661 394517238 /nfs/dbraw/zinc/51/72/38/394517238.db2.gz YYSLIHMLAOKYSL-MRXNPFEDSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@]1(CO)CC(C)C ZINC000355738661 394517240 /nfs/dbraw/zinc/51/72/40/394517240.db2.gz YYSLIHMLAOKYSL-MRXNPFEDSA-N 2 1 279.428 2.455 20 0 CEADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000248976022 394550265 /nfs/dbraw/zinc/55/02/65/394550265.db2.gz DXIHPINBDXHCTC-FXUDXRNXSA-N 2 1 295.471 2.083 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000249091843 394552109 /nfs/dbraw/zinc/55/21/09/394552109.db2.gz OATKPPCFEQEDOS-INIZCTEOSA-N 2 1 279.472 2.326 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000091666200 394657824 /nfs/dbraw/zinc/65/78/24/394657824.db2.gz XHEDWFSAIJPEEN-IMJJTQAJSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000091666200 394657827 /nfs/dbraw/zinc/65/78/27/394657827.db2.gz XHEDWFSAIJPEEN-IMJJTQAJSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCOC1 ZINC000356768785 394608125 /nfs/dbraw/zinc/60/81/25/394608125.db2.gz HWORMQJUKJTFGR-BYNSBNAKSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1cc(F)cc2c1C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000262006355 394610915 /nfs/dbraw/zinc/61/09/15/394610915.db2.gz UPXFMKFJMYDCAE-UHFFFAOYSA-N 2 1 262.372 2.492 20 0 CEADMP COC1([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCCC1 ZINC000421850164 394615432 /nfs/dbraw/zinc/61/54/32/394615432.db2.gz CZQVZUZLLAMBSQ-HZPDHXFCSA-N 2 1 298.471 2.425 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCOC2)CC1 ZINC000356863689 394634383 /nfs/dbraw/zinc/63/43/83/394634383.db2.gz BNAZIYQOPFEWFT-HZPDHXFCSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)[C@@H](C[NH2+]C[C@H]1CCCOC1)[NH+]1CCCC1 ZINC000111318093 394739298 /nfs/dbraw/zinc/73/92/98/394739298.db2.gz HGHLASLNGIWZBV-HUUCEWRRSA-N 2 1 254.418 2.123 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000422727486 394743534 /nfs/dbraw/zinc/74/35/34/394743534.db2.gz CPTMQGNHJOORCF-UONOGXRCSA-N 2 1 278.396 2.453 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414709782 394749462 /nfs/dbraw/zinc/74/94/62/394749462.db2.gz QBICPCLWFIJTCQ-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414709782 394749466 /nfs/dbraw/zinc/74/94/66/394749466.db2.gz QBICPCLWFIJTCQ-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414709782 394749469 /nfs/dbraw/zinc/74/94/69/394749469.db2.gz QBICPCLWFIJTCQ-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)[C@H]1CC1(C)C ZINC000414068986 394692779 /nfs/dbraw/zinc/69/27/79/394692779.db2.gz RDCJFOCJJLWYFS-ZIAGYGMSSA-N 2 1 256.434 2.369 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@H]1C[C@H]1C ZINC000414127666 394710313 /nfs/dbraw/zinc/71/03/13/394710313.db2.gz SIUPUADPAULUBD-WCVJEAGWSA-N 2 1 268.445 2.248 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000414135497 394713597 /nfs/dbraw/zinc/71/35/97/394713597.db2.gz CKGBAGAVJDRLKN-WWTUQBGBSA-N 2 1 289.423 2.236 20 0 CEADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000358326411 394717994 /nfs/dbraw/zinc/71/79/94/394717994.db2.gz GSIRERGMCHDEEW-JTNHKYCSSA-N 2 1 265.401 2.325 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422734816 394747616 /nfs/dbraw/zinc/74/76/16/394747616.db2.gz CZMXCQXWZABQLA-WMLDXEAASA-N 2 1 275.440 2.226 20 0 CEADMP C[C@H]1CCC[C@H]([NH+]2CCC(NCC[NH+]3CCC3)CC2)C1 ZINC000358339693 394718584 /nfs/dbraw/zinc/71/85/84/394718584.db2.gz JUKMCCUROGYOCJ-RDJZCZTQSA-N 2 1 279.472 2.325 20 0 CEADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000414182222 394724480 /nfs/dbraw/zinc/72/44/80/394724480.db2.gz MZXNRHQXONIENI-KKUMJFAQSA-N 2 1 254.418 2.123 20 0 CEADMP Cn1ccnc1[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1CC1 ZINC000414185451 394725544 /nfs/dbraw/zinc/72/55/44/394725544.db2.gz OSGCYNZJXUWMHD-HNNXBMFYSA-N 2 1 281.363 2.309 20 0 CEADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000422698421 394725838 /nfs/dbraw/zinc/72/58/38/394725838.db2.gz ZFHNGVASIUSIRS-SJORKVTESA-N 3 1 275.440 2.498 20 0 CEADMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000335022381 394727638 /nfs/dbraw/zinc/72/76/38/394727638.db2.gz LBGQEFXJQFMMLJ-ZIAGYGMSSA-N 2 1 257.381 2.456 20 0 CEADMP CCC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1nnc2ccccn21 ZINC000422740514 394750765 /nfs/dbraw/zinc/75/07/65/394750765.db2.gz MWLFBZZYSLDJDU-AGIUHOORSA-N 2 1 275.400 2.286 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@@H](C)C1 ZINC000414818214 394751763 /nfs/dbraw/zinc/75/17/63/394751763.db2.gz VBEIDZJMUJENSJ-YJNKXOJESA-N 2 1 284.444 2.461 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCCC[C@H]2N)CC1 ZINC000422741557 394752308 /nfs/dbraw/zinc/75/23/08/394752308.db2.gz OVYRBCARCYSENU-HZPDHXFCSA-N 2 1 267.461 2.358 20 0 CEADMP C[C@H]([NH3+])CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000414826415 394756181 /nfs/dbraw/zinc/75/61/81/394756181.db2.gz VVGFIUMBGNLVJQ-YCPHGPKFSA-N 3 1 267.461 2.356 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000414837360 394762418 /nfs/dbraw/zinc/76/24/18/394762418.db2.gz GYTZGUGQUWHWAJ-UHFFFAOYSA-N 2 1 275.396 2.396 20 0 CEADMP COc1ccc2c(c1)CCN(Cc1c[nH]cn1)CC2 ZINC000335373853 394762944 /nfs/dbraw/zinc/76/29/44/394762944.db2.gz PADOUBIQSVXSAL-UHFFFAOYSA-N 2 1 257.337 2.019 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414839474 394763267 /nfs/dbraw/zinc/76/32/67/394763267.db2.gz XOHVMUNZFANYHZ-NFEZDNKESA-N 2 1 299.462 2.380 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414839474 394763270 /nfs/dbraw/zinc/76/32/70/394763270.db2.gz XOHVMUNZFANYHZ-NFEZDNKESA-N 2 1 299.462 2.380 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422768443 394770869 /nfs/dbraw/zinc/77/08/69/394770869.db2.gz SZUDIJPFZWUFQH-LJISPDSOSA-N 2 1 269.477 2.458 20 0 CEADMP C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422768839 394771237 /nfs/dbraw/zinc/77/12/37/394771237.db2.gz OEKBXXRSNMUARU-OAGGEKHMSA-N 2 1 267.461 2.371 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000414852758 394771787 /nfs/dbraw/zinc/77/17/87/394771787.db2.gz RNQQCROPQMMYRB-GFCCVEGCSA-N 2 1 278.425 2.397 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422769978 394772232 /nfs/dbraw/zinc/77/22/32/394772232.db2.gz VUXUNHDCOLEOJH-FZKCQIBNSA-N 2 1 281.488 2.460 20 0 CEADMP C[C@H](NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422771259 394773101 /nfs/dbraw/zinc/77/31/01/394773101.db2.gz XHEFWJPNZMQPQJ-SOUVJXGZSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H](NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422771260 394773518 /nfs/dbraw/zinc/77/35/18/394773518.db2.gz XHEFWJPNZMQPQJ-ZNMIVQPWSA-N 2 1 267.461 2.227 20 0 CEADMP C[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414857260 394773888 /nfs/dbraw/zinc/77/38/88/394773888.db2.gz CGJORPRZFWZVJO-DOTOQJQBSA-N 2 1 275.440 2.239 20 0 CEADMP C[C@@H]([NH2+]CCOC1CCCCCC1)[C@H]1CCC[NH2+]1 ZINC000422772580 394774136 /nfs/dbraw/zinc/77/41/36/394774136.db2.gz ZLGTZZMQFIURAE-UKRRQHHQSA-N 2 1 254.418 2.456 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000414858457 394774563 /nfs/dbraw/zinc/77/45/63/394774563.db2.gz JKXZXKAVTMKWID-UHFFFAOYSA-N 2 1 276.302 2.327 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C12CCC2 ZINC000422775895 394775351 /nfs/dbraw/zinc/77/53/51/394775351.db2.gz BRYDIFGVCHPMQH-TUKIKUTGSA-N 2 1 275.396 2.492 20 0 CEADMP C[C@@H](CCc1cccc(F)c1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414862728 394777095 /nfs/dbraw/zinc/77/70/95/394777095.db2.gz HNZCQUVSYYJYQD-WFASDCNBSA-N 2 1 250.361 2.488 20 0 CEADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422778163 394777325 /nfs/dbraw/zinc/77/73/25/394777325.db2.gz AHBFQNYRJKFNRX-CYBMUJFWSA-N 2 1 298.434 2.246 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000422778000 394777508 /nfs/dbraw/zinc/77/75/08/394777508.db2.gz DHMHIAVUGZYFCR-WMZOPIPTSA-N 2 1 289.467 2.486 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000422778000 394777510 /nfs/dbraw/zinc/77/75/10/394777510.db2.gz DHMHIAVUGZYFCR-WMZOPIPTSA-N 3 1 289.467 2.486 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000422778000 394777513 /nfs/dbraw/zinc/77/75/13/394777513.db2.gz DHMHIAVUGZYFCR-WMZOPIPTSA-N 3 1 289.467 2.486 20 0 CEADMP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCC[NH2+]C2)cc1F ZINC000414870854 394781040 /nfs/dbraw/zinc/78/10/40/394781040.db2.gz SXPUAOFQJHXWOF-TZMCWYRMSA-N 2 1 280.387 2.355 20 0 CEADMP CCC[NH2+]CC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000414876416 394782869 /nfs/dbraw/zinc/78/28/69/394782869.db2.gz VUDZCHVHQHIMLK-AWEZNQCLSA-N 2 1 262.397 2.142 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])N1CCC(C)CC1 ZINC000422786805 394785126 /nfs/dbraw/zinc/78/51/26/394785126.db2.gz QWROSVCMIFUBHH-OAGGEKHMSA-N 2 1 267.461 2.356 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C12CCC2 ZINC000422786531 394785146 /nfs/dbraw/zinc/78/51/46/394785146.db2.gz SKFVWFMPMLHRRP-LXTVHRRPSA-N 2 1 266.429 2.454 20 0 CEADMP COCC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CCC1 ZINC000361319011 394824187 /nfs/dbraw/zinc/82/41/87/394824187.db2.gz SQJLMEKPDPVGCD-GJZGRUSLSA-N 2 1 266.429 2.219 20 0 CEADMP COCC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CCC1 ZINC000361319011 394824188 /nfs/dbraw/zinc/82/41/88/394824188.db2.gz SQJLMEKPDPVGCD-GJZGRUSLSA-N 2 1 266.429 2.219 20 0 CEADMP COCC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CCC1 ZINC000361319011 394824190 /nfs/dbraw/zinc/82/41/90/394824190.db2.gz SQJLMEKPDPVGCD-GJZGRUSLSA-N 2 1 266.429 2.219 20 0 CEADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@H]2C[C@H]2C)cc1 ZINC000414886905 394789485 /nfs/dbraw/zinc/78/94/85/394789485.db2.gz QCBCOTVPKCBCQP-IRWJRLHMSA-N 2 1 274.408 2.386 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(N)c2)[C@@H](C)C1 ZINC000414959984 394826344 /nfs/dbraw/zinc/82/63/44/394826344.db2.gz GMPRQQTYKSXFLK-BBRMVZONSA-N 2 1 261.413 2.397 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000414893412 394792637 /nfs/dbraw/zinc/79/26/37/394792637.db2.gz YHKXSDMOYXQRLA-GFCCVEGCSA-N 2 1 265.376 2.110 20 0 CEADMP C[C@@H](N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1c[nH+]ccc1N ZINC000422796767 394793520 /nfs/dbraw/zinc/79/35/20/394793520.db2.gz KMEIAUIYFCGJEU-UKRRQHHQSA-N 2 1 288.439 2.409 20 0 CEADMP Fc1ccc(-n2cc(C[NH2+]CC[C@H]3CCC[NH2+]3)cn2)cc1 ZINC000414904496 394798106 /nfs/dbraw/zinc/79/81/06/394798106.db2.gz LTJQYEXNFCDDCF-OAHLLOKOSA-N 2 1 288.370 2.243 20 0 CEADMP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3CC[NH2+]C3)s2)o1 ZINC000414908072 394799116 /nfs/dbraw/zinc/79/91/16/394799116.db2.gz NUPJDZYKWNFGAY-NSHDSACASA-N 2 1 277.393 2.411 20 0 CEADMP c1nc(-c2ccccn2)sc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414909145 394800053 /nfs/dbraw/zinc/80/00/53/394800053.db2.gz SSRZJDWQBHMBNS-GFCCVEGCSA-N 2 1 288.420 2.437 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000414912542 394801191 /nfs/dbraw/zinc/80/11/91/394801191.db2.gz YLLRUBBFMJIQSJ-NXHRZFHOSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414912542 394801193 /nfs/dbraw/zinc/80/11/93/394801193.db2.gz YLLRUBBFMJIQSJ-NXHRZFHOSA-N 2 1 287.451 2.239 20 0 CEADMP CC[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422810656 394803105 /nfs/dbraw/zinc/80/31/05/394803105.db2.gz SCTSSBWAESTVDC-FGTMMUONSA-N 2 1 287.451 2.293 20 0 CEADMP CC[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422810656 394803109 /nfs/dbraw/zinc/80/31/09/394803109.db2.gz SCTSSBWAESTVDC-FGTMMUONSA-N 2 1 287.451 2.293 20 0 CEADMP Cc1csc(N2CCC([NH2+][C@H]3C[NH2+]CC[C@H]3C)CC2)n1 ZINC000414923375 394805006 /nfs/dbraw/zinc/80/50/06/394805006.db2.gz GZGAXAOTJPZVMO-RISCZKNCSA-N 2 1 294.468 2.008 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000360686555 394805698 /nfs/dbraw/zinc/80/56/98/394805698.db2.gz XITSGEIKXCUNHS-HRCADAONSA-N 2 1 268.445 2.200 20 0 CEADMP CCC(CC)(CCO)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422815780 394807172 /nfs/dbraw/zinc/80/71/72/394807172.db2.gz YJVLAKUZGJSOFW-LBPRGKRZSA-N 2 1 265.401 2.334 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414928455 394807362 /nfs/dbraw/zinc/80/73/62/394807362.db2.gz NGEFYDDPNREVBQ-RKDXNWHRSA-N 2 1 289.192 2.456 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)CC1CCOCC1 ZINC000414927687 394807793 /nfs/dbraw/zinc/80/77/93/394807793.db2.gz MICJZLINVXTWLQ-GZBFAFLISA-N 2 1 254.418 2.027 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422822862 394812626 /nfs/dbraw/zinc/81/26/26/394812626.db2.gz KYHLZQVUXOHENA-RDJZCZTQSA-N 2 1 277.456 2.266 20 0 CEADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414945041 394815401 /nfs/dbraw/zinc/81/54/01/394815401.db2.gz PQDUWSHYZXDXTF-VIFPVBQESA-N 2 1 262.275 2.065 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CC[NH2+]1 ZINC000414944650 394815413 /nfs/dbraw/zinc/81/54/13/394815413.db2.gz HGMGTSVDZHEJTE-DZGCQCFKSA-N 2 1 270.380 2.102 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2ccccc2)CC[NH2+]1 ZINC000414947052 394816586 /nfs/dbraw/zinc/81/65/86/394816586.db2.gz KITSEARRPXJXFF-KBPBESRZSA-N 2 1 270.380 2.102 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422830139 394816780 /nfs/dbraw/zinc/81/67/80/394816780.db2.gz IDDVBISFZHHYTB-GVDBMIGSSA-N 2 1 273.424 2.120 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422830139 394816787 /nfs/dbraw/zinc/81/67/87/394816787.db2.gz IDDVBISFZHHYTB-GVDBMIGSSA-N 2 1 273.424 2.120 20 0 CEADMP CC(C)c1ncc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)s1 ZINC000414960428 394826406 /nfs/dbraw/zinc/82/64/06/394826406.db2.gz QSMBYUFCVXKRFJ-PWSUYJOCSA-N 2 1 253.415 2.354 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[NH2+]1 ZINC000414949151 394818951 /nfs/dbraw/zinc/81/89/51/394818951.db2.gz NCJOKLRNXZIRKT-ZYHUDNBSSA-N 2 1 296.798 2.341 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422836918 394821109 /nfs/dbraw/zinc/82/11/09/394821109.db2.gz KZCMTIGGRSFQHY-BMFZPTHFSA-N 2 1 293.480 2.430 20 0 CEADMP CCCC[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415059984 394868402 /nfs/dbraw/zinc/86/84/02/394868402.db2.gz VSJKCJBZAUTIME-FHERZECASA-N 2 1 267.461 2.371 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)o1 ZINC000415058669 394868625 /nfs/dbraw/zinc/86/86/25/394868625.db2.gz VXJJBQCMUJZONC-JSGCOSHPSA-N 2 1 292.379 2.030 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)o1 ZINC000415058669 394868628 /nfs/dbraw/zinc/86/86/28/394868628.db2.gz VXJJBQCMUJZONC-JSGCOSHPSA-N 2 1 292.379 2.030 20 0 CEADMP CCc1ncc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000415059732 394868706 /nfs/dbraw/zinc/86/87/06/394868706.db2.gz YTEFCJAFKGNWOW-ZWNOBZJWSA-N 2 1 253.415 2.122 20 0 CEADMP CCc1ncc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000415059732 394868709 /nfs/dbraw/zinc/86/87/09/394868709.db2.gz YTEFCJAFKGNWOW-ZWNOBZJWSA-N 2 1 253.415 2.122 20 0 CEADMP COC[C@@H](CCC[NH3+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000422967550 394869087 /nfs/dbraw/zinc/86/90/87/394869087.db2.gz TWIGUCJCYLDIJF-SJORKVTESA-N 2 1 299.503 2.231 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000415069403 394873217 /nfs/dbraw/zinc/87/32/17/394873217.db2.gz SLTGVPLWNTZXBP-OAHLLOKOSA-N 2 1 276.380 2.080 20 0 CEADMP CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000336803110 394873763 /nfs/dbraw/zinc/87/37/63/394873763.db2.gz XCKWYTMLUMWFFZ-LSDHHAIUSA-N 2 1 265.401 2.207 20 0 CEADMP CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000336803110 394873765 /nfs/dbraw/zinc/87/37/65/394873765.db2.gz XCKWYTMLUMWFFZ-LSDHHAIUSA-N 2 1 265.401 2.207 20 0 CEADMP CSCC[C@H](CO)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422992569 394876196 /nfs/dbraw/zinc/87/61/96/394876196.db2.gz RKNCQNSEPUJNFT-ARFHVFGLSA-N 2 1 294.464 2.183 20 0 CEADMP CC(C)[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCC1 ZINC000129991778 394877782 /nfs/dbraw/zinc/87/77/82/394877782.db2.gz WSLHTZHWZOHYCV-PMPSAXMXSA-N 2 1 267.461 2.179 20 0 CEADMP COc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415078104 394877988 /nfs/dbraw/zinc/87/79/88/394877988.db2.gz IHQBNVDWVKLQKH-LLVKDONJSA-N 2 1 268.788 2.438 20 0 CEADMP COc1ccccc1N1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000415081726 394880835 /nfs/dbraw/zinc/88/08/35/394880835.db2.gz KVXCIJZGLBJIOI-OAHLLOKOSA-N 2 1 289.423 2.006 20 0 CEADMP CC[C@H](NC[C@H](C)[N@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422855405 394831453 /nfs/dbraw/zinc/83/14/53/394831453.db2.gz DTHFDVRABHTPFH-VGWMRTNUSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000422855218 394831641 /nfs/dbraw/zinc/83/16/41/394831641.db2.gz DSROEFKXPDXVRT-WCVJEAGWSA-N 2 1 267.461 2.499 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000422854965 394831681 /nfs/dbraw/zinc/83/16/81/394831681.db2.gz BNMWQOFITVSJQE-OFQRWUPVSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000336195679 394833211 /nfs/dbraw/zinc/83/32/11/394833211.db2.gz IEKXPBIZMOBGQV-NWDGAFQWSA-N 2 1 271.364 2.110 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C[N@H+]1C1CC1 ZINC000422858912 394833485 /nfs/dbraw/zinc/83/34/85/394833485.db2.gz GRDLWLSRWQZCCC-AWBCAMRRSA-N 2 1 271.408 2.346 20 0 CEADMP Cc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)c(OCC2CC2)c1 ZINC000422862671 394836379 /nfs/dbraw/zinc/83/63/79/394836379.db2.gz KQOCHOXTEDVKED-CYBMUJFWSA-N 2 1 274.408 2.481 20 0 CEADMP CC(C)C[C@@H](C[NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000414983111 394836823 /nfs/dbraw/zinc/83/68/23/394836823.db2.gz ZWGHOEXZTRUUKZ-ROUUACIJSA-N 2 1 289.467 2.310 20 0 CEADMP CCCOc1cc(C[NH2+]C[C@H]([NH3+])CC)ccc1OC ZINC000414987863 394837786 /nfs/dbraw/zinc/83/77/86/394837786.db2.gz ZGOVTGKNXXEKKK-CYBMUJFWSA-N 2 1 266.385 2.311 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422866012 394838109 /nfs/dbraw/zinc/83/81/09/394838109.db2.gz ZVYTYXXWTIBOOH-KBPBESRZSA-N 3 1 253.434 2.110 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000422866012 394838114 /nfs/dbraw/zinc/83/81/14/394838114.db2.gz ZVYTYXXWTIBOOH-KBPBESRZSA-N 3 1 253.434 2.110 20 0 CEADMP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CC[NH2+]C1 ZINC000415087772 394883533 /nfs/dbraw/zinc/88/35/33/394883533.db2.gz WRNMFSKGYYIIOH-OLZOCXBDSA-N 2 1 280.437 2.375 20 0 CEADMP CC[N@@H+](CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000422884401 394849218 /nfs/dbraw/zinc/84/92/18/394849218.db2.gz WSJDEJHYBYRTHP-OAGGEKHMSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CNCC[C@@H]2C)C1 ZINC000422885317 394849466 /nfs/dbraw/zinc/84/94/66/394849466.db2.gz UECRKNBTCUCSAS-OWCLPIDISA-N 2 1 267.461 2.086 20 0 CEADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422885317 394849468 /nfs/dbraw/zinc/84/94/68/394849468.db2.gz UECRKNBTCUCSAS-OWCLPIDISA-N 3 1 267.461 2.086 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422885317 394849469 /nfs/dbraw/zinc/84/94/69/394849469.db2.gz UECRKNBTCUCSAS-OWCLPIDISA-N 3 1 267.461 2.086 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000415014776 394849678 /nfs/dbraw/zinc/84/96/78/394849678.db2.gz XLRXUIOQHOCAQN-ZIAGYGMSSA-N 2 1 285.391 2.486 20 0 CEADMP FC(F)(F)c1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415030658 394854774 /nfs/dbraw/zinc/85/47/74/394854774.db2.gz FGMZHPMGPDEYIB-GDNZZTSVSA-N 2 1 256.271 2.013 20 0 CEADMP Cc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cn1 ZINC000422896646 394855099 /nfs/dbraw/zinc/85/50/99/394855099.db2.gz YKWJCHHMUAKTBI-RHSMWYFYSA-N 2 1 269.392 2.438 20 0 CEADMP c1cc2c(c(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c1)OCO2 ZINC000415033227 394856717 /nfs/dbraw/zinc/85/67/17/394856717.db2.gz BIVRSEYNXUJLAU-HIFRSBDPSA-N 2 1 288.391 2.379 20 0 CEADMP c1cc2c(c(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c1)OCO2 ZINC000415033227 394856720 /nfs/dbraw/zinc/85/67/20/394856720.db2.gz BIVRSEYNXUJLAU-HIFRSBDPSA-N 2 1 288.391 2.379 20 0 CEADMP C[C@@H](NC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422910528 394859717 /nfs/dbraw/zinc/85/97/17/394859717.db2.gz QYJBOHVOYTYWKE-ZMSDIMECSA-N 2 1 275.440 2.237 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H](C[NH3+])C2CC2)C[C@@H]1c1ccccc1 ZINC000423272422 394889234 /nfs/dbraw/zinc/88/92/34/394889234.db2.gz HYORBIDEZSFUOG-GVDBMIGSSA-N 2 1 273.424 2.149 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CCCC[NH3+])C[C@H]1c1ccccc1 ZINC000423322823 394889748 /nfs/dbraw/zinc/88/97/48/394889748.db2.gz ISWSAOPEWKRVND-CVEARBPZSA-N 3 1 261.413 2.150 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCC[NH3+])C[C@H]1c1ccccc1 ZINC000423322823 394889750 /nfs/dbraw/zinc/88/97/50/394889750.db2.gz ISWSAOPEWKRVND-CVEARBPZSA-N 3 1 261.413 2.150 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1C ZINC000415101367 394890104 /nfs/dbraw/zinc/89/01/04/394890104.db2.gz BGNKGIJIUBYZTE-SWLSCSKDSA-N 2 1 278.444 2.327 20 0 CEADMP CC(C)[C@@H](C[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000415114616 394894614 /nfs/dbraw/zinc/89/46/14/394894614.db2.gz WDYXWJKCYXERMG-IAGOWNOFSA-N 2 1 276.424 2.476 20 0 CEADMP Cc1ccc(C)c(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415119990 394897034 /nfs/dbraw/zinc/89/70/34/394897034.db2.gz FQCNYSSMDAKXFW-KRWDZBQOSA-N 2 1 299.422 2.191 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423350592 394897137 /nfs/dbraw/zinc/89/71/37/394897137.db2.gz ZVBIDECSRXXRJV-APWZRJJASA-N 3 1 299.462 2.406 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423350592 394897140 /nfs/dbraw/zinc/89/71/40/394897140.db2.gz ZVBIDECSRXXRJV-APWZRJJASA-N 2 1 299.462 2.406 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000415131464 394900095 /nfs/dbraw/zinc/90/00/95/394900095.db2.gz SHNOHASDTCOYBO-ZBFHGGJFSA-N 2 1 290.455 2.343 20 0 CEADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423368425 394903645 /nfs/dbraw/zinc/90/36/45/394903645.db2.gz RXNXSRYJVRYZJN-YHUYYLMFSA-N 2 1 296.455 2.476 20 0 CEADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000415145918 394903758 /nfs/dbraw/zinc/90/37/58/394903758.db2.gz XCPSNLGVCKDXOD-YWPYICTPSA-N 2 1 250.361 2.487 20 0 CEADMP C[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)[C@@H]1CCC[NH2+]1 ZINC000423370634 394904496 /nfs/dbraw/zinc/90/44/96/394904496.db2.gz UMKPNIITKCSREW-UVBJJODRSA-N 2 1 259.397 2.376 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000423373050 394906037 /nfs/dbraw/zinc/90/60/37/394906037.db2.gz GZSVVSUXDDQZED-DGXTUMSLSA-N 3 1 265.445 2.027 20 0 CEADMP CSC[C@H](O)C[N@H+]1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000364484090 394908883 /nfs/dbraw/zinc/90/88/83/394908883.db2.gz FNLGXGMXEXUVDM-ZIAGYGMSSA-N 2 1 297.468 2.367 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423386083 394909385 /nfs/dbraw/zinc/90/93/85/394909385.db2.gz RDKOILMYDGHLIW-ZNMIVQPWSA-N 2 1 295.471 2.144 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)[C@@H]1C ZINC000423385898 394909484 /nfs/dbraw/zinc/90/94/84/394909484.db2.gz KZGBUTPYYVVAKO-QPSCCSFWSA-N 2 1 296.455 2.332 20 0 CEADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cnn1C(C)C ZINC000423395800 394913705 /nfs/dbraw/zinc/91/37/05/394913705.db2.gz NOHDIVIUMSCTLA-SLEUVZQESA-N 2 1 264.417 2.421 20 0 CEADMP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000423443867 394922034 /nfs/dbraw/zinc/92/20/34/394922034.db2.gz KWAFYNUIOPUCIJ-GVXVVHGQSA-N 2 1 266.385 2.480 20 0 CEADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]([NH3+])CC)CCC2 ZINC000423460048 394926787 /nfs/dbraw/zinc/92/67/87/394926787.db2.gz IMLHLBMHYUUYNJ-VHSXEESVSA-N 2 1 253.415 2.410 20 0 CEADMP CC[N@@H+](CC(=O)N1CCC(CCC[NH+](C)C)CC1)C1CC1 ZINC000132303308 394928247 /nfs/dbraw/zinc/92/82/47/394928247.db2.gz RYJOUQLMJPVAGB-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c2ccccc21 ZINC000423483475 394931062 /nfs/dbraw/zinc/93/10/62/394931062.db2.gz XWEMYUKLXZIIRZ-BHTHQVBYSA-N 2 1 290.407 2.494 20 0 CEADMP c1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CC2)cc1 ZINC000423484700 394931303 /nfs/dbraw/zinc/93/13/03/394931303.db2.gz ABSSDDLIGXIBKK-HZPDHXFCSA-N 2 1 260.381 2.106 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccncc1F ZINC000423486504 394932707 /nfs/dbraw/zinc/93/27/07/394932707.db2.gz ULARXIWFZRLOGL-VHSXEESVSA-N 2 1 273.302 2.116 20 0 CEADMP CCOC[C@H]1CCC[C@@H]1[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423506310 394938982 /nfs/dbraw/zinc/93/89/82/394938982.db2.gz IDRGLSQXOMTHKA-APIJFGDWSA-N 2 1 254.418 2.108 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2CCO[C@H](C(F)(F)F)C2)C[C@@]1(C)C[NH3+] ZINC000423504706 394939325 /nfs/dbraw/zinc/93/93/25/394939325.db2.gz GFMQLRAACLRNKS-NOOOWODRSA-N 2 1 280.334 2.013 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000423521729 394944266 /nfs/dbraw/zinc/94/42/66/394944266.db2.gz REIUHHOPSRAXQL-ZACQAIPSSA-N 2 1 287.451 2.062 20 0 CEADMP C[NH+]1CCC([NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)CC1 ZINC000151919774 394981034 /nfs/dbraw/zinc/98/10/34/394981034.db2.gz TWWMBCPBQRBSAB-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000415938957 394984023 /nfs/dbraw/zinc/98/40/23/394984023.db2.gz ZMKCCLZOKKPRCK-ZDUSSCGKSA-N 2 1 292.427 2.256 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415995375 394994657 /nfs/dbraw/zinc/99/46/57/394994657.db2.gz KRQJGIKFQQGCRO-UHFFFAOYSA-N 2 1 290.411 2.143 20 0 CEADMP COC(=O)c1csc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)c1 ZINC000286107630 395013695 /nfs/dbraw/zinc/01/36/95/395013695.db2.gz NLTMKUGTHAARJP-SNVBAGLBSA-N 2 1 293.392 2.390 20 0 CEADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)OC(C)(C)C)C2)C1 ZINC000339431340 394959963 /nfs/dbraw/zinc/95/99/63/394959963.db2.gz ZYJYGCPBDXIEMZ-MRXNPFEDSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)OC(C)(C)C)C2)C1 ZINC000339431340 394959966 /nfs/dbraw/zinc/95/99/66/394959966.db2.gz ZYJYGCPBDXIEMZ-MRXNPFEDSA-N 2 1 282.428 2.136 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)OC(C)(C)C)C2)C1 ZINC000339431340 394959970 /nfs/dbraw/zinc/95/99/70/394959970.db2.gz ZYJYGCPBDXIEMZ-MRXNPFEDSA-N 2 1 282.428 2.136 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)OC(C)(C)C)C2)C1 ZINC000339431340 394959973 /nfs/dbraw/zinc/95/99/73/394959973.db2.gz ZYJYGCPBDXIEMZ-MRXNPFEDSA-N 2 1 282.428 2.136 20 0 CEADMP COC(C)(C)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339437804 394960773 /nfs/dbraw/zinc/96/07/73/394960773.db2.gz MLVGOLHOHVGYBU-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP COC(C)(C)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339437804 394960777 /nfs/dbraw/zinc/96/07/77/394960777.db2.gz MLVGOLHOHVGYBU-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP COC(C)(C)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339437804 394960780 /nfs/dbraw/zinc/96/07/80/394960780.db2.gz MLVGOLHOHVGYBU-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP CN(C(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000367812153 394971707 /nfs/dbraw/zinc/97/17/07/394971707.db2.gz WTNGNPQZPAPOHT-FZMZJTMJSA-N 2 1 292.452 2.359 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000423752560 394975888 /nfs/dbraw/zinc/97/58/88/394975888.db2.gz AVFCTDMMSOIXRW-KBPBESRZSA-N 2 1 285.476 2.247 20 0 CEADMP COCCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340168178 394979526 /nfs/dbraw/zinc/97/95/26/394979526.db2.gz QJPUOPZDRFHZHH-HOTGVXAUSA-N 2 1 262.397 2.448 20 0 CEADMP COCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340168178 394979529 /nfs/dbraw/zinc/97/95/29/394979529.db2.gz QJPUOPZDRFHZHH-HOTGVXAUSA-N 2 1 262.397 2.448 20 0 CEADMP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000158657705 395051637 /nfs/dbraw/zinc/05/16/37/395051637.db2.gz KSDXZNKMYGWXNA-KKUMJFAQSA-N 2 1 278.444 2.439 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC[NH+]1CCCC1 ZINC000162203352 395071589 /nfs/dbraw/zinc/07/15/89/395071589.db2.gz ALADBNRXJPPWHB-CVEARBPZSA-N 2 1 265.445 2.031 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374170627 395075449 /nfs/dbraw/zinc/07/54/49/395075449.db2.gz HAVDEXSYKIAKLC-MRXNPFEDSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374170627 395075452 /nfs/dbraw/zinc/07/54/52/395075452.db2.gz HAVDEXSYKIAKLC-MRXNPFEDSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374170627 395075456 /nfs/dbraw/zinc/07/54/56/395075456.db2.gz HAVDEXSYKIAKLC-MRXNPFEDSA-N 3 1 279.472 2.279 20 0 CEADMP CN1CCC[C@@H]1CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374170627 395075460 /nfs/dbraw/zinc/07/54/60/395075460.db2.gz HAVDEXSYKIAKLC-MRXNPFEDSA-N 2 1 279.472 2.279 20 0 CEADMP CN1CCC[C@@H]1CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374170627 395075462 /nfs/dbraw/zinc/07/54/62/395075462.db2.gz HAVDEXSYKIAKLC-MRXNPFEDSA-N 2 1 279.472 2.279 20 0 CEADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCC2)C[C@@H]1n1ccnc1 ZINC000163286486 395083514 /nfs/dbraw/zinc/08/35/14/395083514.db2.gz OTYKIMJDHGKQMS-CVEARBPZSA-N 3 1 276.428 2.252 20 0 CEADMP C[C@@H]1CCN(CCC[NH+]2CCCC2)C[C@@H]1n1ccnc1 ZINC000163286486 395083519 /nfs/dbraw/zinc/08/35/19/395083519.db2.gz OTYKIMJDHGKQMS-CVEARBPZSA-N 3 1 276.428 2.252 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163901692 395085659 /nfs/dbraw/zinc/08/56/59/395085659.db2.gz STZPPWUGRHODFL-JKSUJKDBSA-N 2 1 297.487 2.332 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163901692 395085663 /nfs/dbraw/zinc/08/56/63/395085663.db2.gz STZPPWUGRHODFL-JKSUJKDBSA-N 2 1 297.487 2.332 20 0 CEADMP O=c1[nH]c2ccccc2cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427133829 395093342 /nfs/dbraw/zinc/09/33/42/395093342.db2.gz SDXAHDGIPUOGKI-ZFWWWQNUSA-N 2 1 283.375 2.124 20 0 CEADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427133829 395093343 /nfs/dbraw/zinc/09/33/43/395093343.db2.gz SDXAHDGIPUOGKI-ZFWWWQNUSA-N 2 1 283.375 2.124 20 0 CEADMP C[C@@H](C[S@](C)=O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000346362891 395095995 /nfs/dbraw/zinc/09/59/95/395095995.db2.gz LMXYERCTBLQMBV-DJJJIMSYSA-N 2 1 286.485 2.140 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000157786306 395035645 /nfs/dbraw/zinc/03/56/45/395035645.db2.gz WGWJLPJVGAUPTC-HPCJDURASA-N 2 1 266.429 2.262 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000347061135 395118984 /nfs/dbraw/zinc/11/89/84/395118984.db2.gz YMRKYAIUTDJDEQ-APIJFGDWSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000347061135 395118985 /nfs/dbraw/zinc/11/89/85/395118985.db2.gz YMRKYAIUTDJDEQ-APIJFGDWSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494651008 395131212 /nfs/dbraw/zinc/13/12/12/395131212.db2.gz AEBIBYGBBWIRRL-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000436273681 395104673 /nfs/dbraw/zinc/10/46/73/395104673.db2.gz WPTJELPREGQBOM-UHFFFAOYSA-N 2 1 276.409 2.322 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000494682802 395135467 /nfs/dbraw/zinc/13/54/67/395135467.db2.gz SGMSLVQWJQTRFH-HZPDHXFCSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000494682803 395135565 /nfs/dbraw/zinc/13/55/65/395135565.db2.gz SGMSLVQWJQTRFH-JKSUJKDBSA-N 2 1 295.471 2.147 20 0 CEADMP CCn1nncc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000417871840 395154316 /nfs/dbraw/zinc/15/43/16/395154316.db2.gz MQABTZULBPNOQY-AWEZNQCLSA-N 2 1 279.432 2.042 20 0 CEADMP CCC[NH+](C)CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000348954891 395155234 /nfs/dbraw/zinc/15/52/34/395155234.db2.gz GUZLCRNVLZMPJD-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+](C)CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000348954891 395155237 /nfs/dbraw/zinc/15/52/37/395155237.db2.gz GUZLCRNVLZMPJD-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CCO[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C1(C)C ZINC000178974723 395176477 /nfs/dbraw/zinc/17/64/77/395176477.db2.gz MVMDRQQCDNFEET-KGLIPLIRSA-N 2 1 254.418 2.121 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000352157173 395246133 /nfs/dbraw/zinc/24/61/33/395246133.db2.gz SJRCMQZTOFHVED-JYJNAYRXSA-N 2 1 297.487 2.390 20 0 CEADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000399792926 395247537 /nfs/dbraw/zinc/24/75/37/395247537.db2.gz QUARTXXOZRJHEM-JKSUJKDBSA-N 2 1 259.397 2.149 20 0 CEADMP CC(C)[NH2+]C1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000182890774 395249452 /nfs/dbraw/zinc/24/94/52/395249452.db2.gz AOQGWDDAJFFQOC-SJORKVTESA-N 2 1 274.408 2.107 20 0 CEADMP C[NH2+]CCCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382765715 395183643 /nfs/dbraw/zinc/18/36/43/395183643.db2.gz SUGZAEUXYOIAEV-QGZVFWFLSA-N 2 1 275.440 2.050 20 0 CEADMP C[N@@H+]1CC[C@]2(CCN(c3cc[nH+]cc3Cl)C2)C1 ZINC000292447435 395195190 /nfs/dbraw/zinc/19/51/90/395195190.db2.gz YWYSEAVOMMJUTR-ZDUSSCGKSA-N 2 1 251.761 2.267 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(c3cc[nH+]cc3Cl)C2)C1 ZINC000292447435 395195194 /nfs/dbraw/zinc/19/51/94/395195194.db2.gz YWYSEAVOMMJUTR-ZDUSSCGKSA-N 2 1 251.761 2.267 20 0 CEADMP C[NH2+]CC1CC[NH+]([C@H](C(=O)OC)c2ccccc2C)CC1 ZINC000420285639 395294437 /nfs/dbraw/zinc/29/44/37/395294437.db2.gz DNRJOSVXEXHZJY-INIZCTEOSA-N 2 1 290.407 2.141 20 0 CEADMP COC(=O)c1ccccc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420295336 395301058 /nfs/dbraw/zinc/30/10/58/395301058.db2.gz VGVOGYLRWNHBDF-STQMWFEESA-N 2 1 276.380 2.032 20 0 CEADMP COC(=O)c1ccccc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420295336 395301059 /nfs/dbraw/zinc/30/10/59/395301059.db2.gz VGVOGYLRWNHBDF-STQMWFEESA-N 2 1 276.380 2.032 20 0 CEADMP CC[C@]1(C)CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420297134 395302434 /nfs/dbraw/zinc/30/24/34/395302434.db2.gz FNPMJUORTQQHEW-OKZBNKHCSA-N 2 1 290.451 2.429 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC(C)(C)C2)cc1 ZINC000420298177 395303812 /nfs/dbraw/zinc/30/38/12/395303812.db2.gz GYGMUDKCOSNSFO-AWEZNQCLSA-N 2 1 262.397 2.469 20 0 CEADMP Cc1cccc(OCC[N@H+](C)CC[C@H]2CC[NH2+]C2)c1 ZINC000420302884 395307578 /nfs/dbraw/zinc/30/75/78/395307578.db2.gz JVNSQTXUSVTAIL-OAHLLOKOSA-N 2 1 262.397 2.305 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000353940164 395311328 /nfs/dbraw/zinc/31/13/28/395311328.db2.gz BECSBPFANLYSJD-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP CCOC(=O)CC1([NH2+]CC[C@@H]2CCC[N@H+]2C)CCCC1 ZINC000434613673 395313290 /nfs/dbraw/zinc/31/32/90/395313290.db2.gz DYUAGALOTJOUTN-AWEZNQCLSA-N 2 1 282.428 2.326 20 0 CEADMP C[C@@H](O)C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000420312828 395316798 /nfs/dbraw/zinc/31/67/98/395316798.db2.gz XIXPOOMHKBDUKI-ZIAGYGMSSA-N 2 1 254.418 2.002 20 0 CEADMP FC(F)(F)CCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420315666 395320303 /nfs/dbraw/zinc/32/03/03/395320303.db2.gz XCIGILKTNVVCSF-LLVKDONJSA-N 2 1 250.308 2.404 20 0 CEADMP FC(F)(F)CCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420315666 395320308 /nfs/dbraw/zinc/32/03/08/395320308.db2.gz XCIGILKTNVVCSF-LLVKDONJSA-N 2 1 250.308 2.404 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000420319161 395321920 /nfs/dbraw/zinc/32/19/20/395321920.db2.gz RGDZBFIJZYKGRK-NSHDSACASA-N 2 1 282.409 2.238 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000420319161 395321924 /nfs/dbraw/zinc/32/19/24/395321924.db2.gz RGDZBFIJZYKGRK-NSHDSACASA-N 2 1 282.409 2.238 20 0 CEADMP Fc1ccc([C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420318770 395322380 /nfs/dbraw/zinc/32/23/80/395322380.db2.gz OVVMUXTWVFWRQM-XJKSGUPXSA-N 2 1 278.371 2.199 20 0 CEADMP COc1ccc2c(c1)C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420324993 395327611 /nfs/dbraw/zinc/32/76/11/395327611.db2.gz VWYKGMQDJBFWKK-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP c1csc([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420320898 395323227 /nfs/dbraw/zinc/32/32/27/395323227.db2.gz QSQIMIGSOYTJNH-OLZOCXBDSA-N 2 1 265.426 2.322 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000419319796 395257663 /nfs/dbraw/zinc/25/76/63/395257663.db2.gz ZWGKXBYPKYRGLX-HUUCEWRRSA-N 2 1 256.434 2.464 20 0 CEADMP Cc1ccc(CC(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000419334404 395258918 /nfs/dbraw/zinc/25/89/18/395258918.db2.gz NJZQBYCVTYSIFH-KRWDZBQOSA-N 2 1 290.451 2.361 20 0 CEADMP Cc1ccc(CC(C)(C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000419334404 395258925 /nfs/dbraw/zinc/25/89/25/395258925.db2.gz NJZQBYCVTYSIFH-KRWDZBQOSA-N 2 1 290.451 2.361 20 0 CEADMP Fc1ccc(OCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420369467 395355182 /nfs/dbraw/zinc/35/51/82/395355182.db2.gz KZIUOUKOOFBVEJ-INIZCTEOSA-N 2 1 278.371 2.280 20 0 CEADMP Fc1ccc(OCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420369467 395355187 /nfs/dbraw/zinc/35/51/87/395355187.db2.gz KZIUOUKOOFBVEJ-INIZCTEOSA-N 2 1 278.371 2.280 20 0 CEADMP COC(=O)CC1(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000440795000 395357074 /nfs/dbraw/zinc/35/70/74/395357074.db2.gz SJNDDYJFMFKXFD-OAHLLOKOSA-N 2 1 294.439 2.138 20 0 CEADMP COC(=O)CC1(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000440795000 395357078 /nfs/dbraw/zinc/35/70/78/395357078.db2.gz SJNDDYJFMFKXFD-OAHLLOKOSA-N 2 1 294.439 2.138 20 0 CEADMP COc1ccc(OCC[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420372656 395359118 /nfs/dbraw/zinc/35/91/18/395359118.db2.gz QIBDVAVPPVCRBW-DVOMOZLQSA-N 2 1 278.396 2.050 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000420376545 395362152 /nfs/dbraw/zinc/36/21/52/395362152.db2.gz VFBHEKREHQYTBP-IJEWVQPXSA-N 2 1 262.397 2.432 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000420376276 395362551 /nfs/dbraw/zinc/36/25/51/395362551.db2.gz QFXTZKREMNFWBD-AWEZNQCLSA-N 2 1 276.428 2.008 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000420376276 395362554 /nfs/dbraw/zinc/36/25/54/395362554.db2.gz QFXTZKREMNFWBD-AWEZNQCLSA-N 2 1 276.428 2.008 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1F ZINC000420379724 395364690 /nfs/dbraw/zinc/36/46/90/395364690.db2.gz YAMMLADDWZDTMQ-WQGACYEGSA-N 2 1 293.386 2.130 20 0 CEADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)nc1 ZINC000355218450 395370612 /nfs/dbraw/zinc/37/06/12/395370612.db2.gz IQSMYNMZGIUYGX-YESZJQIVSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)nc1 ZINC000355218450 395370617 /nfs/dbraw/zinc/37/06/17/395370617.db2.gz IQSMYNMZGIUYGX-YESZJQIVSA-N 2 1 289.423 2.074 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000334388933 289066266 /nfs/dbraw/zinc/06/62/66/289066266.db2.gz REIFWVNAVCFDGT-BHDPWAOGSA-N 3 1 265.445 2.076 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1)C1CCCC1 ZINC000420408519 395374191 /nfs/dbraw/zinc/37/41/91/395374191.db2.gz PICSREBRDVZYOK-LSDHHAIUSA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)C1CCCC1 ZINC000420408519 395374197 /nfs/dbraw/zinc/37/41/97/395374197.db2.gz PICSREBRDVZYOK-LSDHHAIUSA-N 2 1 295.471 2.083 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CC2(C)COC2)CC1 ZINC000441217566 395380888 /nfs/dbraw/zinc/38/08/88/395380888.db2.gz IZEJOEVOFMTELH-UHFFFAOYSA-N 2 1 268.445 2.467 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000435884941 395393701 /nfs/dbraw/zinc/39/37/01/395393701.db2.gz YXMUCDIWBDWULT-SNVBAGLBSA-N 2 1 290.333 2.217 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000435884941 395393703 /nfs/dbraw/zinc/39/37/03/395393703.db2.gz YXMUCDIWBDWULT-SNVBAGLBSA-N 2 1 290.333 2.217 20 0 CEADMP C[NH2+]CCC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000435882209 395394246 /nfs/dbraw/zinc/39/42/46/395394246.db2.gz SHCHUQHRKJIQNK-KRWDZBQOSA-N 2 1 276.424 2.358 20 0 CEADMP C[N@@H+](CCOc1ccc(Cl)c(F)c1)C1CC([NH3+])C1 ZINC000420326961 395329686 /nfs/dbraw/zinc/32/96/86/395329686.db2.gz FSVQKMBLDLDPJG-UHFFFAOYSA-N 2 1 272.751 2.279 20 0 CEADMP CC(C)N(C)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514811 395330404 /nfs/dbraw/zinc/33/04/04/395330404.db2.gz GVJSTYJKSYQZSL-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514811 395330409 /nfs/dbraw/zinc/33/04/09/395330409.db2.gz GVJSTYJKSYQZSL-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CCCCc1noc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420330481 395331022 /nfs/dbraw/zinc/33/10/22/395331022.db2.gz PVIFYWUZFXNLAM-KGLIPLIRSA-N 2 1 292.427 2.234 20 0 CEADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420348935 395339962 /nfs/dbraw/zinc/33/99/62/395339962.db2.gz BFEBSDSDWYVSLC-DOMZBBRYSA-N 2 1 250.386 2.122 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCN(C)c1ccccc1 ZINC000420353564 395340679 /nfs/dbraw/zinc/34/06/79/395340679.db2.gz AOWFUHLMBSRMKA-FMKPAKJESA-N 2 1 261.413 2.099 20 0 CEADMP CC(C)c1cc(N(C)C[C@H]2CCC[N@@H+]2C)nc(N(C)C)[nH+]1 ZINC000420637901 395396964 /nfs/dbraw/zinc/39/69/64/395396964.db2.gz PNIMOLUNVVBKEF-CYBMUJFWSA-N 2 1 291.443 2.196 20 0 CEADMP CC(C)c1cc(N(C)C[C@H]2CCC[N@H+]2C)nc(N(C)C)[nH+]1 ZINC000420637901 395396968 /nfs/dbraw/zinc/39/69/68/395396968.db2.gz PNIMOLUNVVBKEF-CYBMUJFWSA-N 2 1 291.443 2.196 20 0 CEADMP C[C@H](C[N@@H+](C)CC[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000420359442 395346131 /nfs/dbraw/zinc/34/61/31/395346131.db2.gz KONUWBUYQXDZBZ-NEPJUHHUSA-N 2 1 253.415 2.178 20 0 CEADMP C[N@@H+](CCCOc1cccc(C(C)(C)C)c1)C[C@H](O)C[NH3+] ZINC000420359930 395346314 /nfs/dbraw/zinc/34/63/14/395346314.db2.gz WJSMKMUSCRQMNG-OAHLLOKOSA-N 2 1 294.439 2.004 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000297632666 395346668 /nfs/dbraw/zinc/34/66/68/395346668.db2.gz MCJKOXDPEBFPDC-CVEARBPZSA-N 2 1 271.364 2.082 20 0 CEADMP COc1ccc(OCCC[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1 ZINC000420362847 395349926 /nfs/dbraw/zinc/34/99/26/395349926.db2.gz IZRVCUNFYQSHPJ-JJRVBVJISA-N 2 1 292.423 2.440 20 0 CEADMP CCOc1ccccc1OCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420363843 395350055 /nfs/dbraw/zinc/35/00/55/395350055.db2.gz OHHGNJHVGDESCK-HNNXBMFYSA-N 2 1 280.412 2.427 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191190024 395351226 /nfs/dbraw/zinc/35/12/26/395351226.db2.gz VQYCKBBJXLTQDT-STQMWFEESA-N 2 1 265.401 2.205 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)Cc1ccc(C)cc1 ZINC000565489089 395473462 /nfs/dbraw/zinc/47/34/62/395473462.db2.gz LTEZWWHDRYTCTD-MRXNPFEDSA-N 2 1 278.440 2.218 20 0 CEADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000355291143 395400346 /nfs/dbraw/zinc/40/03/46/395400346.db2.gz MIOUKWILLJZUMY-AWEZNQCLSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CC(F)(F)C1 ZINC000529557067 395404557 /nfs/dbraw/zinc/40/45/57/395404557.db2.gz OWYCPKBLKZHLFB-GFCCVEGCSA-N 2 1 289.414 2.036 20 0 CEADMP CC(=O)NC1CCC([N@@H+](C)CCC[NH+]2CCCCC2)CC1 ZINC000444616816 395440673 /nfs/dbraw/zinc/44/06/73/395440673.db2.gz POFBQAXLKDVBBJ-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000566418170 395520762 /nfs/dbraw/zinc/52/07/62/395520762.db2.gz CJFDXCFXJSCNNR-PVAVHDDUSA-N 2 1 276.424 2.177 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000566418170 395520765 /nfs/dbraw/zinc/52/07/65/395520765.db2.gz CJFDXCFXJSCNNR-PVAVHDDUSA-N 2 1 276.424 2.177 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000566418170 395520768 /nfs/dbraw/zinc/52/07/68/395520768.db2.gz CJFDXCFXJSCNNR-PVAVHDDUSA-N 2 1 276.424 2.177 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)NCc1c[nH+]ccc1N(C)C ZINC000566500700 395531841 /nfs/dbraw/zinc/53/18/41/395531841.db2.gz PXEMXGURNVOQQI-HNNXBMFYSA-N 2 1 290.455 2.358 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000567870513 395537762 /nfs/dbraw/zinc/53/77/62/395537762.db2.gz FRNOKFDALGKWET-QWRGUYRKSA-N 2 1 276.409 2.421 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000567897036 395540386 /nfs/dbraw/zinc/54/03/86/395540386.db2.gz AQMZKJCQNUKXFE-HOTGVXAUSA-N 2 1 289.423 2.066 20 0 CEADMP Cn1cncc1CCC[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000565841785 395486902 /nfs/dbraw/zinc/48/69/02/395486902.db2.gz LCGAUTSLRPWZNJ-CQSZACIVSA-N 2 1 267.417 2.082 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000565841785 395486905 /nfs/dbraw/zinc/48/69/05/395486905.db2.gz LCGAUTSLRPWZNJ-CQSZACIVSA-N 2 1 267.417 2.082 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000565841785 395486906 /nfs/dbraw/zinc/48/69/06/395486906.db2.gz LCGAUTSLRPWZNJ-CQSZACIVSA-N 2 1 267.417 2.082 20 0 CEADMP Cc1cccc([C@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000566114611 395499767 /nfs/dbraw/zinc/49/97/67/395499767.db2.gz CHGUEJIJIISZFJ-PBHICJAKSA-N 2 1 276.424 2.143 20 0 CEADMP Cc1cccc([C@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000566114611 395499770 /nfs/dbraw/zinc/49/97/70/395499770.db2.gz CHGUEJIJIISZFJ-PBHICJAKSA-N 2 1 276.424 2.143 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1sccc1C[NH+](C)C ZINC000446963921 395503351 /nfs/dbraw/zinc/50/33/51/395503351.db2.gz DSGAARRKERVTPD-LBPRGKRZSA-N 2 1 297.468 2.270 20 0 CEADMP Cc1cccc2oc(CC[NH2+][C@H]3CNCC[C@H]3C)nc21 ZINC000573355110 395606348 /nfs/dbraw/zinc/60/63/48/395606348.db2.gz MLIFXSJTRYHVAF-YPMHNXCESA-N 2 1 273.380 2.266 20 0 CEADMP CC[C@@H](C)[NH+]1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000449626142 395557704 /nfs/dbraw/zinc/55/77/04/395557704.db2.gz DAFNLVMWHGJRPS-CYBMUJFWSA-N 2 1 296.484 2.121 20 0 CEADMP CC(C)CC1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCC1 ZINC000573794752 395618058 /nfs/dbraw/zinc/61/80/58/395618058.db2.gz DMDBRPCSXPKOMM-HNNXBMFYSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)CC1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCC1 ZINC000573794752 395618059 /nfs/dbraw/zinc/61/80/59/395618059.db2.gz DMDBRPCSXPKOMM-HNNXBMFYSA-N 2 1 268.445 2.248 20 0 CEADMP CO[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)CC1(C)C ZINC000451564701 395622975 /nfs/dbraw/zinc/62/29/75/395622975.db2.gz MGUZZURMHFNTSE-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000451564701 395622976 /nfs/dbraw/zinc/62/29/76/395622976.db2.gz MGUZZURMHFNTSE-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000451564701 395622977 /nfs/dbraw/zinc/62/29/77/395622977.db2.gz MGUZZURMHFNTSE-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1cc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)ccc1C[NH+](C)C ZINC000458272605 395640931 /nfs/dbraw/zinc/64/09/31/395640931.db2.gz WJOARRIZAGHKIA-BBRMVZONSA-N 2 1 289.423 2.193 20 0 CEADMP Fc1ccc([C@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)c(F)c1 ZINC000574917270 395641055 /nfs/dbraw/zinc/64/10/55/395641055.db2.gz ZRUDZPIVGSUUOC-MRXNPFEDSA-N 2 1 296.361 2.338 20 0 CEADMP Fc1ccc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)c(F)c1 ZINC000574917270 395641056 /nfs/dbraw/zinc/64/10/56/395641056.db2.gz ZRUDZPIVGSUUOC-MRXNPFEDSA-N 2 1 296.361 2.338 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccn(C3CCCC3)n2)C1 ZINC000575002338 395643973 /nfs/dbraw/zinc/64/39/73/395643973.db2.gz GGBHHLMIGZKKNR-QWHCGFSZSA-N 2 1 262.401 2.358 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)[C@@H]2CCC[C@H]21 ZINC000647322296 395702650 /nfs/dbraw/zinc/70/26/50/395702650.db2.gz PTUCUPMRWDNWGW-YESZJQIVSA-N 2 1 274.408 2.141 20 0 CEADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000647336107 395704832 /nfs/dbraw/zinc/70/48/32/395704832.db2.gz MGWYTYOIKGDLGW-GBJTYRQASA-N 2 1 256.434 2.103 20 0 CEADMP CO[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343925 395706807 /nfs/dbraw/zinc/70/68/07/395706807.db2.gz FXCGCNUCTMEIFE-WTTBNOFXSA-N 2 1 276.424 2.345 20 0 CEADMP C[C@@H](CCCCO)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343792 395707136 /nfs/dbraw/zinc/70/71/36/395707136.db2.gz CDSYHKVGJUPRIT-JQHSSLGASA-N 2 1 290.451 2.473 20 0 CEADMP C[N@H+](Cc1nccc2ccccc21)C1CC[NH2+]CC1 ZINC000647484165 395720760 /nfs/dbraw/zinc/72/07/60/395720760.db2.gz BZWGTDSRHOVERB-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP C[N@@H+](Cc1nccc2ccccc21)C1CC[NH2+]CC1 ZINC000647484165 395720761 /nfs/dbraw/zinc/72/07/61/395720761.db2.gz BZWGTDSRHOVERB-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc2ccccc2s1 ZINC000647493064 395721290 /nfs/dbraw/zinc/72/12/90/395721290.db2.gz SISAVQFDZNSNLH-UHFFFAOYSA-N 2 1 289.448 2.238 20 0 CEADMP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)nc1 ZINC000647496525 395721469 /nfs/dbraw/zinc/72/14/69/395721469.db2.gz QVGLQPXRRYZSII-QWHCGFSZSA-N 2 1 263.385 2.040 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)nc1 ZINC000647496525 395721471 /nfs/dbraw/zinc/72/14/71/395721471.db2.gz QVGLQPXRRYZSII-QWHCGFSZSA-N 2 1 263.385 2.040 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc(OCCOC)c2)CC[C@@H]1[NH3+] ZINC000647498098 395721785 /nfs/dbraw/zinc/72/17/85/395721785.db2.gz ADDMADKJHJTEBC-WBVHZDCISA-N 2 1 292.423 2.271 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(-n3cncn3)c(C)c2)CC[C@@H]1[NH3+] ZINC000647498489 395722147 /nfs/dbraw/zinc/72/21/47/395722147.db2.gz IQUNYWBZYKKKRS-HOTGVXAUSA-N 2 1 299.422 2.135 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(OCCOC)cc2)CC[C@H]1[NH3+] ZINC000647499109 395722849 /nfs/dbraw/zinc/72/28/49/395722849.db2.gz ZSSXFGZXAFOHHC-DOTOQJQBSA-N 2 1 292.423 2.271 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2CCCC(C)(C)C2)CCO1 ZINC000647506680 395723085 /nfs/dbraw/zinc/72/30/85/395723085.db2.gz AEOBPIUUPKZOGM-MJBXVCDLSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)C2)CCO1 ZINC000647506680 395723087 /nfs/dbraw/zinc/72/30/87/395723087.db2.gz AEOBPIUUPKZOGM-MJBXVCDLSA-N 2 1 254.418 2.251 20 0 CEADMP Cn1ncc(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544010 395731643 /nfs/dbraw/zinc/73/16/43/395731643.db2.gz VNLCPQZNVWPTIZ-OLZOCXBDSA-N 2 1 296.846 2.285 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000647650953 395739979 /nfs/dbraw/zinc/73/99/79/395739979.db2.gz BKZKTOKZWYJSQC-MGPQQGTHSA-N 2 1 292.427 2.125 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@@]4(CC[NH2+]C4)C3)c2c1C ZINC000647708546 395747209 /nfs/dbraw/zinc/74/72/09/395747209.db2.gz PIWQYSYHYAAJMM-INIZCTEOSA-N 2 1 285.395 2.155 20 0 CEADMP C[NH2+]C[C@@H]1CCCN(c2[nH+]cnc3[nH]c(C)c(C)c32)C1 ZINC000647703813 395746409 /nfs/dbraw/zinc/74/64/09/395746409.db2.gz CCDYQSAHAFAEAC-LBPRGKRZSA-N 2 1 273.384 2.011 20 0 CEADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647786344 395754519 /nfs/dbraw/zinc/75/45/19/395754519.db2.gz NBEDMKIJNVSRPJ-WCXIOVBPSA-N 3 1 293.499 2.475 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647786344 395754520 /nfs/dbraw/zinc/75/45/20/395754520.db2.gz NBEDMKIJNVSRPJ-WCXIOVBPSA-N 3 1 293.499 2.475 20 0 CEADMP COc1ccccc1C1([NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000647802919 395757947 /nfs/dbraw/zinc/75/79/47/395757947.db2.gz ZDYVININPOUOJO-QWHCGFSZSA-N 2 1 260.381 2.272 20 0 CEADMP c1cc2c(cc1[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1)OCCO2 ZINC000647872822 395766192 /nfs/dbraw/zinc/76/61/92/395766192.db2.gz ZPCXZKPJIWFOBG-DZGCQCFKSA-N 2 1 288.391 2.204 20 0 CEADMP COc1ccc([C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647883319 395768760 /nfs/dbraw/zinc/76/87/60/395768760.db2.gz DGOPENSUPZIRCY-HIFRSBDPSA-N 2 1 260.381 2.094 20 0 CEADMP O[C@@H]([C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1)C(F)(F)F ZINC000647884528 395769398 /nfs/dbraw/zinc/76/93/98/395769398.db2.gz BGBFFVVHNYUCOT-OLZOCXBDSA-N 2 1 294.361 2.154 20 0 CEADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cccs2)CC1 ZINC000647908769 395771290 /nfs/dbraw/zinc/77/12/90/395771290.db2.gz GOVKEOZHPFYHFC-UHFFFAOYSA-N 2 1 268.426 2.073 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H]1CC=CCC1)CCO2 ZINC000648071502 395825810 /nfs/dbraw/zinc/82/58/10/395825810.db2.gz FWQCOPGWDHRZAP-HNNXBMFYSA-N 2 1 264.413 2.139 20 0 CEADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)s1 ZINC000648071689 395825960 /nfs/dbraw/zinc/82/59/60/395825960.db2.gz OWIQVIQBRQLDFJ-UHFFFAOYSA-N 2 1 280.437 2.353 20 0 CEADMP CCc1noc([C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647976066 395793465 /nfs/dbraw/zinc/79/34/65/395793465.db2.gz JSMOVIONZUHCLO-BFHYXJOUSA-N 2 1 292.427 2.405 20 0 CEADMP CCCc1noc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647975804 395793578 /nfs/dbraw/zinc/79/35/78/395793578.db2.gz GDBNNLWHGYGDEE-ZIAGYGMSSA-N 2 1 292.427 2.234 20 0 CEADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976836 395793611 /nfs/dbraw/zinc/79/36/11/395793611.db2.gz UUGBLAWMBKDHFL-KFWWJZLASA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)c1noc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647976963 395793792 /nfs/dbraw/zinc/79/37/92/395793792.db2.gz WJJSELVPAFXHJC-KGLIPLIRSA-N 2 1 292.427 2.405 20 0 CEADMP C(c1noc2c1CCCC2)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647986889 395795793 /nfs/dbraw/zinc/79/57/93/395795793.db2.gz JSTMGUSYLZXWFP-KGLIPLIRSA-N 2 1 289.423 2.375 20 0 CEADMP CO[C@@H]1CC[C@H]2OCC[N@@H+](CCCC3CC[NH2+]CC3)[C@H]2C1 ZINC000647990913 395797659 /nfs/dbraw/zinc/79/76/59/395797659.db2.gz ULFZYGGWURVJLC-IXDOHACOSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CCCC1CC[NH2+]CC1)CC[NH2+]CC2 ZINC000647995426 395798357 /nfs/dbraw/zinc/79/83/57/395798357.db2.gz WZXZQEGJELSWHV-OAHLLOKOSA-N 3 1 279.472 2.230 20 0 CEADMP COc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc2ccccc21 ZINC000648385200 395899184 /nfs/dbraw/zinc/89/91/84/395899184.db2.gz KFSOGDPPQDJFGP-HZPDHXFCSA-N 2 1 282.387 2.500 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000648429284 395907250 /nfs/dbraw/zinc/90/72/50/395907250.db2.gz NVXKFKXJHWRVCL-DABQJJPHSA-N 2 1 251.374 2.127 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)CCO1 ZINC000648438447 395908700 /nfs/dbraw/zinc/90/87/00/395908700.db2.gz JMFURLDKDNHONM-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CCO1 ZINC000648447806 395910541 /nfs/dbraw/zinc/91/05/41/395910541.db2.gz DKDNBBWKFFJOMR-JKSUJKDBSA-N 2 1 296.455 2.179 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(CC)CCC[NH+](C)C ZINC000648875495 396007992 /nfs/dbraw/zinc/00/79/92/396007992.db2.gz RPUYAJVWAXGINB-CQSZACIVSA-N 2 1 294.443 2.197 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649295548 396115501 /nfs/dbraw/zinc/11/55/01/396115501.db2.gz XYERAAQPLLSLDY-CQSZACIVSA-N 2 1 283.460 2.132 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(=O)N2)cc1 ZINC000649576410 396196226 /nfs/dbraw/zinc/19/62/26/396196226.db2.gz YAVOKKPZJFZHPG-DOMZBBRYSA-N 2 1 298.390 2.110 20 0 CEADMP Cc1[nH+]ccn1CC[NH+]1CCC2(CC2(F)F)CC1 ZINC000649773879 396256417 /nfs/dbraw/zinc/25/64/17/396256417.db2.gz JHXLEMPRERKJDS-UHFFFAOYSA-N 2 1 255.312 2.313 20 0 CEADMP COCC1(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000647227080 396444899 /nfs/dbraw/zinc/44/48/99/396444899.db2.gz RGEZNSHUJYXXTH-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP c1cc(C[NH2+]CCC[NH+]2CCCCC2)n(-c2ccccn2)n1 ZINC000647168600 396427065 /nfs/dbraw/zinc/42/70/65/396427065.db2.gz CNVQJYNITIFGRQ-UHFFFAOYSA-N 2 1 299.422 2.233 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CCCCCC1 ZINC000386289171 400525417 /nfs/dbraw/zinc/52/54/17/400525417.db2.gz CJLMYBKKGIBIDF-HNNXBMFYSA-N 2 1 256.434 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C1CCCCCC1 ZINC000386289171 400525422 /nfs/dbraw/zinc/52/54/22/400525422.db2.gz CJLMYBKKGIBIDF-HNNXBMFYSA-N 2 1 256.434 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CCCCCC1 ZINC000386289171 400525429 /nfs/dbraw/zinc/52/54/29/400525429.db2.gz CJLMYBKKGIBIDF-HNNXBMFYSA-N 2 1 256.434 2.342 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000650707313 400997630 /nfs/dbraw/zinc/99/76/30/400997630.db2.gz CRVUVWJKIAWCOW-GVDBMIGSSA-N 2 1 289.423 2.108 20 0 CEADMP Cc1ncccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650706852 400997810 /nfs/dbraw/zinc/99/78/10/400997810.db2.gz UHZNNUCZCLGDLG-BBWFWOEESA-N 2 1 289.423 2.108 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000650705504 400998292 /nfs/dbraw/zinc/99/82/92/400998292.db2.gz JXOSIOHKNYSULX-GUTXKFCHSA-N 2 1 295.452 2.170 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650706652 400998789 /nfs/dbraw/zinc/99/87/89/400998789.db2.gz PEDSSROGARYQMQ-GZBFAFLISA-N 2 1 295.452 2.170 20 0 CEADMP Cc1ccncc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708088 400999617 /nfs/dbraw/zinc/99/96/17/400999617.db2.gz SWUGUTCASGXWOG-USXIJHARSA-N 2 1 289.423 2.108 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1C ZINC000650709284 400999692 /nfs/dbraw/zinc/99/96/92/400999692.db2.gz OUXYPTWCHUDYDX-RDJZCZTQSA-N 2 1 290.455 2.471 20 0 CEADMP CC[N@@H+](CCCNCC(C)(C)[NH3+])C1CCCCC1 ZINC000650710075 400999898 /nfs/dbraw/zinc/99/98/98/400999898.db2.gz BNNMGSOYVKRTNR-UHFFFAOYSA-N 2 1 255.450 2.358 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2cccc3c2OCCO3)[C@@H]1CC[NH3+] ZINC000650711310 401001664 /nfs/dbraw/zinc/00/16/64/401001664.db2.gz PFTSOPGPWWZRJO-DZGCQCFKSA-N 2 1 290.407 2.407 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)[C@H]1CC[NH3+] ZINC000650710911 401001906 /nfs/dbraw/zinc/00/19/06/401001906.db2.gz CKCXLEVLYPJHCN-YOEHRIQHSA-N 2 1 299.422 2.217 20 0 CEADMP [NH3+]CC1(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000650713877 401004565 /nfs/dbraw/zinc/00/45/65/401004565.db2.gz HNPWCTHZUURAED-HOTGVXAUSA-N 3 1 273.424 2.198 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cc(C)c(OC)c(C)c2)C[C@H]1C[NH3+] ZINC000650715048 401004785 /nfs/dbraw/zinc/00/47/85/401004785.db2.gz MWKODJUTXDLDQH-HZPDHXFCSA-N 2 1 292.423 2.108 20 0 CEADMP Cc1ncsc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650722985 401011716 /nfs/dbraw/zinc/01/17/16/401011716.db2.gz FRHFQSIEHICEBA-MJBXVCDLSA-N 2 1 295.452 2.312 20 0 CEADMP Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650722149 401012122 /nfs/dbraw/zinc/01/21/22/401012122.db2.gz MJOWVSIHNDBHRL-BPLDGKMQSA-N 2 1 295.452 2.312 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000650740581 401016884 /nfs/dbraw/zinc/01/68/84/401016884.db2.gz MZMRXRYDCUKBCO-GJZGRUSLSA-N 2 1 255.450 2.085 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H](C)c1c[nH+]ccc1N ZINC000650739919 401017082 /nfs/dbraw/zinc/01/70/82/401017082.db2.gz BNKOMYLZCLYHHY-ZDUSSCGKSA-N 2 1 264.417 2.123 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000247123641 286014375 /nfs/dbraw/zinc/01/43/75/286014375.db2.gz RGQJKTOYRVWJMT-CWRNSKLLSA-N 2 1 262.397 2.446 20 0 CEADMP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000651482235 401347598 /nfs/dbraw/zinc/34/75/98/401347598.db2.gz IJFSZCQXMGZTRG-CQSZACIVSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000651482235 401347601 /nfs/dbraw/zinc/34/76/01/401347601.db2.gz IJFSZCQXMGZTRG-CQSZACIVSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1CCCCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000651707127 401375082 /nfs/dbraw/zinc/37/50/82/401375082.db2.gz ZVRAFFXTEBDSBT-OWCLPIDISA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC1CC[NH+](C(C)C)CC1 ZINC000651865693 401406318 /nfs/dbraw/zinc/40/63/18/401406318.db2.gz DXFQSQIONANIST-UHFFFAOYSA-N 2 1 269.477 2.427 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)[C@H]1CCOC1 ZINC000652222462 401466963 /nfs/dbraw/zinc/46/69/63/401466963.db2.gz PCNOBUUGCAEXIV-LSDHHAIUSA-N 2 1 256.434 2.369 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000652358484 401492922 /nfs/dbraw/zinc/49/29/22/401492922.db2.gz JMDBMPGXINHTKQ-HNNXBMFYSA-N 2 1 280.387 2.198 20 0 CEADMP CC(C)CCOCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652362823 401494537 /nfs/dbraw/zinc/49/45/37/401494537.db2.gz QZBBXDQKRDUXBH-BBWFWOEESA-N 2 1 298.471 2.410 20 0 CEADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000311127449 286146455 /nfs/dbraw/zinc/14/64/55/286146455.db2.gz IKLQCXFQUBPVAW-QLFBSQMISA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](Cc3nccn3C)C2)O1 ZINC000188585808 153060749 /nfs/dbraw/zinc/06/07/49/153060749.db2.gz VWENGEDDRNSZOV-RBSFLKMASA-N 2 1 277.412 2.242 20 0 CEADMP CCC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000190251962 153120044 /nfs/dbraw/zinc/12/00/44/153120044.db2.gz IMYODHHLUFYGMC-CQSZACIVSA-N 2 1 252.402 2.163 20 0 CEADMP CCC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000190251962 153120050 /nfs/dbraw/zinc/12/00/50/153120050.db2.gz IMYODHHLUFYGMC-CQSZACIVSA-N 2 1 252.402 2.163 20 0 CEADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cs1 ZINC000360817736 155379417 /nfs/dbraw/zinc/37/94/17/155379417.db2.gz DOBLKSBINFIGCB-DGCLKSJQSA-N 2 1 267.442 2.178 20 0 CEADMP CCc1nc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cs1 ZINC000192804633 153221102 /nfs/dbraw/zinc/22/11/02/153221102.db2.gz IWOUKXFQLCCPHP-AGUYFDCRSA-N 2 1 279.453 2.463 20 0 CEADMP CCOC1CC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000193348305 153231868 /nfs/dbraw/zinc/23/18/68/153231868.db2.gz PHTHNGUBTNIIEO-OZEOOWDWSA-N 2 1 266.429 2.406 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)ccc1O ZINC000194991630 153272685 /nfs/dbraw/zinc/27/26/85/153272685.db2.gz USTLPDZKPZFMOK-CQSZACIVSA-N 2 1 287.363 2.262 20 0 CEADMP CCCC[NH+]1CCC(N[C@@H]2C[N@@H+](CC)C[C@@H]2C)CC1 ZINC000360862530 155387741 /nfs/dbraw/zinc/38/77/41/155387741.db2.gz WBXZYDRJCJQOLZ-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000221911850 153312488 /nfs/dbraw/zinc/31/24/88/153312488.db2.gz JRSKJHCCDADPRP-UHFFFAOYSA-N 2 1 295.393 2.333 20 0 CEADMP CC(C)(CCCO)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000221609683 153313397 /nfs/dbraw/zinc/31/33/97/153313397.db2.gz IXBVQDAIUPIXRB-UONOGXRCSA-N 2 1 254.418 2.002 20 0 CEADMP C(C[C@H]1CCCCO1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000227504981 153342523 /nfs/dbraw/zinc/34/25/23/153342523.db2.gz HNDBLNFAACPEBE-RRFJBIMHSA-N 2 1 252.402 2.162 20 0 CEADMP Cc1cncc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000248716558 153654748 /nfs/dbraw/zinc/65/47/48/153654748.db2.gz KTIQREIYDRUUHH-RDJZCZTQSA-N 2 1 291.439 2.278 20 0 CEADMP c1cnc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000261630802 153794812 /nfs/dbraw/zinc/79/48/12/153794812.db2.gz BEQFHHRDRQFGFL-JKSUJKDBSA-N 2 1 267.376 2.276 20 0 CEADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])C1CCCCC1 ZINC000262998560 154005353 /nfs/dbraw/zinc/00/53/53/154005353.db2.gz OLEZSGPWSUABBB-RDJZCZTQSA-N 2 1 295.471 2.275 20 0 CEADMP C(C[NH+]1CC[C@H](C2CC2)C1)OCC[N@H+]1CC[C@H](C2CC2)C1 ZINC000344001077 154264687 /nfs/dbraw/zinc/26/46/87/154264687.db2.gz GRPZQDKXBJUPMV-ROUUACIJSA-N 2 1 292.467 2.467 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@@H+]1C ZINC000352786689 154335763 /nfs/dbraw/zinc/33/57/63/154335763.db2.gz AIGJBDPJCDLSGJ-MRFVTOPCSA-N 2 1 254.418 2.405 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@H+]1C ZINC000352786689 154335765 /nfs/dbraw/zinc/33/57/65/154335765.db2.gz AIGJBDPJCDLSGJ-MRFVTOPCSA-N 2 1 254.418 2.405 20 0 CEADMP C[C@H](C[C@H]1CCCO1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352783078 154336376 /nfs/dbraw/zinc/33/63/76/154336376.db2.gz WZHQHWBSTXNFIY-VXGBXAGGSA-N 2 1 283.441 2.252 20 0 CEADMP COc1ccc2oc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000357073647 154373265 /nfs/dbraw/zinc/37/32/65/154373265.db2.gz HZOIRTVOQPFWCJ-JSGCOSHPSA-N 2 1 286.375 2.483 20 0 CEADMP COc1ccc2oc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000357073647 154373269 /nfs/dbraw/zinc/37/32/69/154373269.db2.gz HZOIRTVOQPFWCJ-JSGCOSHPSA-N 2 1 286.375 2.483 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000357072417 154373671 /nfs/dbraw/zinc/37/36/71/154373671.db2.gz HGUIIUAXAPKPCA-LSDHHAIUSA-N 2 1 290.407 2.135 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000357072417 154373676 /nfs/dbraw/zinc/37/36/76/154373676.db2.gz HGUIIUAXAPKPCA-LSDHHAIUSA-N 2 1 290.407 2.135 20 0 CEADMP [NH3+]CCOCC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000357099694 154378337 /nfs/dbraw/zinc/37/83/37/154378337.db2.gz CVKVMCBJWSRAET-INIZCTEOSA-N 2 1 260.381 2.114 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357863645 154391472 /nfs/dbraw/zinc/39/14/72/154391472.db2.gz ZOCIGVVQHYSUAD-ZBFHGGJFSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357863645 154391479 /nfs/dbraw/zinc/39/14/79/154391479.db2.gz ZOCIGVVQHYSUAD-ZBFHGGJFSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cnn(C)c1 ZINC000357860420 154392841 /nfs/dbraw/zinc/39/28/41/154392841.db2.gz XBDFRJJWLFUHJN-ZDUSSCGKSA-N 2 1 264.417 2.193 20 0 CEADMP CCCOc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000359471462 155025378 /nfs/dbraw/zinc/02/53/78/155025378.db2.gz IOBSOCXDXUTPOC-HUUCEWRRSA-N 2 1 290.407 2.135 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCN(C)c1ccccc1 ZINC000359578775 155058291 /nfs/dbraw/zinc/05/82/91/155058291.db2.gz CBNXHELSCVONIX-DOTOQJQBSA-N 2 1 275.440 2.443 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000359695646 155115381 /nfs/dbraw/zinc/11/53/81/155115381.db2.gz MDSRCCXUAMMGGT-GOEBONIOSA-N 2 1 288.439 2.112 20 0 CEADMP Cn1cccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000363242999 156014328 /nfs/dbraw/zinc/01/43/28/156014328.db2.gz PZCJFWCSHHLKCT-KRWDZBQOSA-N 2 1 298.434 2.422 20 0 CEADMP Cn1cccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000363242999 156014333 /nfs/dbraw/zinc/01/43/33/156014333.db2.gz PZCJFWCSHHLKCT-KRWDZBQOSA-N 2 1 298.434 2.422 20 0 CEADMP CCCCOC(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363559557 156029608 /nfs/dbraw/zinc/02/96/08/156029608.db2.gz FOPAGQXNZOZZKP-OWCLPIDISA-N 2 1 294.439 2.136 20 0 CEADMP CCCCOC(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363559557 156029611 /nfs/dbraw/zinc/02/96/11/156029611.db2.gz FOPAGQXNZOZZKP-OWCLPIDISA-N 2 1 294.439 2.136 20 0 CEADMP CCCCOC(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363559557 156029615 /nfs/dbraw/zinc/02/96/15/156029615.db2.gz FOPAGQXNZOZZKP-OWCLPIDISA-N 2 1 294.439 2.136 20 0 CEADMP Cn1cncc1C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367310146 156167868 /nfs/dbraw/zinc/16/78/68/156167868.db2.gz NDRODNWNBZXJDH-CQSZACIVSA-N 3 1 288.439 2.116 20 0 CEADMP CN(C(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000367812155 156242955 /nfs/dbraw/zinc/24/29/55/156242955.db2.gz WTNGNPQZPAPOHT-RISCZKNCSA-N 2 1 292.452 2.359 20 0 CEADMP C[C@@H]1C[N@@H+](CC(C)(C)C)CCN1C1CC[NH+](C)CC1 ZINC000368052896 156275600 /nfs/dbraw/zinc/27/56/00/156275600.db2.gz ZVLHCOLCPDXEGE-CQSZACIVSA-N 2 1 267.461 2.133 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C/C=C/Cl ZINC000368418301 156344033 /nfs/dbraw/zinc/34/40/33/156344033.db2.gz WQSVEKJKCLCHGL-QCIPMWLWSA-N 2 1 272.820 2.218 20 0 CEADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCCCCF)C2)CC1 ZINC000368500613 156353128 /nfs/dbraw/zinc/35/31/28/156353128.db2.gz XLSOXUCBGSQKDN-MRXNPFEDSA-N 2 1 285.451 2.086 20 0 CEADMP C[N@@H+](CCC(C)(C)O)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374842070 157018847 /nfs/dbraw/zinc/01/88/47/157018847.db2.gz RNWFAVRRJNVEKR-UHFFFAOYSA-N 2 1 291.439 2.391 20 0 CEADMP C[C@H](O)C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375608732 157115502 /nfs/dbraw/zinc/11/55/02/157115502.db2.gz SOKQMHJFIVAGIB-DOTOQJQBSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@H](O)C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000375608732 157115503 /nfs/dbraw/zinc/11/55/03/157115503.db2.gz SOKQMHJFIVAGIB-DOTOQJQBSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@H](O)C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000375608732 157115506 /nfs/dbraw/zinc/11/55/06/157115506.db2.gz SOKQMHJFIVAGIB-DOTOQJQBSA-N 2 1 276.424 2.354 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(c2cnccn2)CC1 ZINC000375703677 157130399 /nfs/dbraw/zinc/13/03/99/157130399.db2.gz YKEUZHBOYZVPMJ-UHFFFAOYSA-N 2 1 276.428 2.388 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC000376442249 157223315 /nfs/dbraw/zinc/22/33/15/157223315.db2.gz MLDOQCZVYWGQGD-OLZOCXBDSA-N 2 1 273.384 2.013 20 0 CEADMP Cc1[nH+]ccn1CCCN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000376537716 157239736 /nfs/dbraw/zinc/23/97/36/157239736.db2.gz YSLQUUZLQKKIKX-ZBFHGGJFSA-N 2 1 276.428 2.140 20 0 CEADMP C[C@@H](O)CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547505443 298367856 /nfs/dbraw/zinc/36/78/56/298367856.db2.gz PIXFZKNVGHMFEN-VYDXJSESSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCCCCC[NH3+])C1 ZINC000165012752 162340034 /nfs/dbraw/zinc/34/00/34/162340034.db2.gz JKIICMZMDMMBSN-IYBDPMFKSA-N 2 1 297.487 2.380 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H]3CCC[NH2+]3)c2C1 ZINC000166721011 162354358 /nfs/dbraw/zinc/35/43/58/162354358.db2.gz CIXFSGZRIPPTSF-CQSZACIVSA-N 2 1 287.407 2.493 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H]3CCC[NH2+]3)c2C1 ZINC000166721011 162354361 /nfs/dbraw/zinc/35/43/61/162354361.db2.gz CIXFSGZRIPPTSF-CQSZACIVSA-N 2 1 287.407 2.493 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(C)nn(C)c2C)C1 ZINC000174213106 165098541 /nfs/dbraw/zinc/09/85/41/165098541.db2.gz FYNAVKKSHLTTQN-OAHLLOKOSA-N 2 1 278.444 2.201 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(C)nn(C)c2C)C1 ZINC000174213106 165098545 /nfs/dbraw/zinc/09/85/45/165098545.db2.gz FYNAVKKSHLTTQN-OAHLLOKOSA-N 2 1 278.444 2.201 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000174354502 165105987 /nfs/dbraw/zinc/10/59/87/165105987.db2.gz CGYXELVYRSKEPH-CVEARBPZSA-N 2 1 267.461 2.182 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOCCC(C)C)C1 ZINC000177839629 165208920 /nfs/dbraw/zinc/20/89/20/165208920.db2.gz KKTNGPXPELUOTF-OAHLLOKOSA-N 2 1 256.434 2.323 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C2CC2)cn1 ZINC000177233071 165190293 /nfs/dbraw/zinc/19/02/93/165190293.db2.gz MENCEYYEHPRAIJ-LLVKDONJSA-N 2 1 256.353 2.464 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOCCC(C)C)C1 ZINC000177839629 165208916 /nfs/dbraw/zinc/20/89/16/165208916.db2.gz KKTNGPXPELUOTF-OAHLLOKOSA-N 2 1 256.434 2.323 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOCCC(C)C)C1 ZINC000177839629 165208917 /nfs/dbraw/zinc/20/89/17/165208917.db2.gz KKTNGPXPELUOTF-OAHLLOKOSA-N 2 1 256.434 2.323 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOCCC(C)C)C1 ZINC000177839629 165208918 /nfs/dbraw/zinc/20/89/18/165208918.db2.gz KKTNGPXPELUOTF-OAHLLOKOSA-N 2 1 256.434 2.323 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000178593679 165249039 /nfs/dbraw/zinc/24/90/39/165249039.db2.gz HWXNMCLQSVAVEX-TZMCWYRMSA-N 2 1 280.387 2.449 20 0 CEADMP C[N@H+](Cc1nc2c(s1)CCCC2)CC1CC[NH2+]CC1 ZINC000178981221 165266463 /nfs/dbraw/zinc/26/64/63/165266463.db2.gz QATRDWGJOGDOBE-UHFFFAOYSA-N 2 1 279.453 2.453 20 0 CEADMP COc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1OC ZINC000020128912 171016620 /nfs/dbraw/zinc/01/66/20/171016620.db2.gz BLIAURYYCKOMIS-UHFFFAOYSA-N 2 1 278.396 2.279 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000020190085 171056898 /nfs/dbraw/zinc/05/68/98/171056898.db2.gz WAJOSBSWQZHXIT-UHFFFAOYSA-N 2 1 290.407 2.422 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000040599109 174350233 /nfs/dbraw/zinc/35/02/33/174350233.db2.gz MLYYFDBBPNWROW-OAHLLOKOSA-N 2 1 262.397 2.387 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[NH+](C)C ZINC000401019148 414750352 /nfs/dbraw/zinc/75/03/52/414750352.db2.gz JYYVYQGRBULNNI-NXOAAHMSSA-N 3 1 281.488 2.331 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000070087820 414766512 /nfs/dbraw/zinc/76/65/12/414766512.db2.gz PRNSSJMKCBBMSP-UHFFFAOYSA-N 2 1 297.487 2.474 20 0 CEADMP C[C@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CCc2ccccc21 ZINC000404728364 414789318 /nfs/dbraw/zinc/78/93/18/414789318.db2.gz GGSQTLLSKLDBJS-WMLDXEAASA-N 2 1 288.435 2.103 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CCc2ccccc21 ZINC000404728364 414789322 /nfs/dbraw/zinc/78/93/22/414789322.db2.gz GGSQTLLSKLDBJS-WMLDXEAASA-N 2 1 288.435 2.103 20 0 CEADMP C[C@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CCc2ccccc21 ZINC000404728364 414789324 /nfs/dbraw/zinc/78/93/24/414789324.db2.gz GGSQTLLSKLDBJS-WMLDXEAASA-N 2 1 288.435 2.103 20 0 CEADMP C[C@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CCc2ccccc21 ZINC000404728364 414789328 /nfs/dbraw/zinc/78/93/28/414789328.db2.gz GGSQTLLSKLDBJS-WMLDXEAASA-N 2 1 288.435 2.103 20 0 CEADMP C[C@@H]1CCC[N@H+](CC(=O)NC2CCCCCC2)[C@H]1CC[NH3+] ZINC000404340477 414780914 /nfs/dbraw/zinc/78/09/14/414780914.db2.gz DPPYUCKWAIFNDN-ZBFHGGJFSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCCC2)[C@H]1CC[NH3+] ZINC000404340477 414780918 /nfs/dbraw/zinc/78/09/18/414780918.db2.gz DPPYUCKWAIFNDN-ZBFHGGJFSA-N 2 1 295.471 2.275 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404353507 414781311 /nfs/dbraw/zinc/78/13/11/414781311.db2.gz KMAYBGOVZRJDEB-IINYFYTJSA-N 2 1 251.374 2.241 20 0 CEADMP Clc1cccc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000051889902 414747507 /nfs/dbraw/zinc/74/75/07/414747507.db2.gz PUPGXQDHYHIMER-CYBMUJFWSA-N 2 1 279.815 2.072 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000129056442 414812015 /nfs/dbraw/zinc/81/20/15/414812015.db2.gz MIARCDBWBDWOAF-KBPBESRZSA-N 2 1 278.396 2.276 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000129056442 414812021 /nfs/dbraw/zinc/81/20/21/414812021.db2.gz MIARCDBWBDWOAF-KBPBESRZSA-N 2 1 278.396 2.276 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+]C1CCN(C2CC2)CC1 ZINC000657295365 414840997 /nfs/dbraw/zinc/84/09/97/414840997.db2.gz OJZYEFZAALYHQV-UHFFFAOYSA-N 2 1 274.412 2.014 20 0 CEADMP C[C@@H](C[NH2+]Cc1c(C2CC2)cnn1C)C[NH+]1CCCC1 ZINC000657319119 414858991 /nfs/dbraw/zinc/85/89/91/414858991.db2.gz SJKPSQYDTXYLBK-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000660638782 414910051 /nfs/dbraw/zinc/91/00/51/414910051.db2.gz DHZUKFJJDKRYLI-FGTMMUONSA-N 2 1 293.499 2.382 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000660638782 414910057 /nfs/dbraw/zinc/91/00/57/414910057.db2.gz DHZUKFJJDKRYLI-FGTMMUONSA-N 2 1 293.499 2.382 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000660638782 414910061 /nfs/dbraw/zinc/91/00/61/414910061.db2.gz DHZUKFJJDKRYLI-FGTMMUONSA-N 2 1 293.499 2.382 20 0 CEADMP Cc1ncsc1CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660494 414919603 /nfs/dbraw/zinc/91/96/03/414919603.db2.gz WFWRZOXVOBBFSP-HNNXBMFYSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660494 414919608 /nfs/dbraw/zinc/91/96/08/414919608.db2.gz WFWRZOXVOBBFSP-HNNXBMFYSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660494 414919614 /nfs/dbraw/zinc/91/96/14/414919614.db2.gz WFWRZOXVOBBFSP-HNNXBMFYSA-N 2 1 279.453 2.412 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCO1 ZINC000663345589 414920815 /nfs/dbraw/zinc/92/08/15/414920815.db2.gz LIEASUVSJFTXRD-FVQBIDKESA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCO1 ZINC000663345590 414922157 /nfs/dbraw/zinc/92/21/57/414922157.db2.gz LIEASUVSJFTXRD-KBMXLJTQSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCCN(CCc1cscn1)C2 ZINC000660662644 414925018 /nfs/dbraw/zinc/92/50/18/414925018.db2.gz KHYCFAGWFQQFCP-AWEZNQCLSA-N 2 1 265.426 2.103 20 0 CEADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1cscn1)C2 ZINC000660662644 414925025 /nfs/dbraw/zinc/92/50/25/414925025.db2.gz KHYCFAGWFQQFCP-AWEZNQCLSA-N 2 1 265.426 2.103 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1cscn1)C2 ZINC000660662644 414925031 /nfs/dbraw/zinc/92/50/31/414925031.db2.gz KHYCFAGWFQQFCP-AWEZNQCLSA-N 2 1 265.426 2.103 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1cscn1)C2 ZINC000660662644 414925037 /nfs/dbraw/zinc/92/50/37/414925037.db2.gz KHYCFAGWFQQFCP-AWEZNQCLSA-N 2 1 265.426 2.103 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1cscn1)C2 ZINC000660662644 414925043 /nfs/dbraw/zinc/92/50/43/414925043.db2.gz KHYCFAGWFQQFCP-AWEZNQCLSA-N 2 1 265.426 2.103 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CO1 ZINC000657347684 414876798 /nfs/dbraw/zinc/87/67/98/414876798.db2.gz DWFNKKPCSSJBPC-SOUVJXGZSA-N 2 1 254.418 2.264 20 0 CEADMP COCc1csc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000657355703 414883379 /nfs/dbraw/zinc/88/33/79/414883379.db2.gz ZWUMAHBSQDKETI-GFCCVEGCSA-N 2 1 268.426 2.326 20 0 CEADMP CC[N@H+]1CCCN(CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000660787168 414973262 /nfs/dbraw/zinc/97/32/62/414973262.db2.gz OHKXPPRCQYNYDH-MRXNPFEDSA-N 2 1 267.461 2.279 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)CC[NH2+]1 ZINC000663514993 414978713 /nfs/dbraw/zinc/97/87/13/414978713.db2.gz XPZRDNMBXVBQBR-HKUMRIAESA-N 2 1 276.371 2.119 20 0 CEADMP CCn1nccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000663514917 414979130 /nfs/dbraw/zinc/97/91/30/414979130.db2.gz WCZSKOCKDQSMPG-DOTOQJQBSA-N 2 1 284.407 2.486 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000657563998 415001250 /nfs/dbraw/zinc/00/12/50/415001250.db2.gz RILGVIVXSSTDAP-SOUVJXGZSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[NH+]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000657563998 415001254 /nfs/dbraw/zinc/00/12/54/415001254.db2.gz RILGVIVXSSTDAP-SOUVJXGZSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[NH+]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000657563998 415001258 /nfs/dbraw/zinc/00/12/58/415001258.db2.gz RILGVIVXSSTDAP-SOUVJXGZSA-N 2 1 265.445 2.076 20 0 CEADMP Cc1ccncc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657589427 415012561 /nfs/dbraw/zinc/01/25/61/415012561.db2.gz ZFHIULYYGOUVNF-HOTGVXAUSA-N 2 1 259.397 2.149 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCOc2ccccc2C1 ZINC000653502375 415016568 /nfs/dbraw/zinc/01/65/68/415016568.db2.gz BFXJEKIZGOVHAU-UHFFFAOYSA-N 2 1 271.364 2.247 20 0 CEADMP COc1ccc(C(C)C)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000653501784 415018055 /nfs/dbraw/zinc/01/80/55/415018055.db2.gz IHKRXZIOJBJMAM-IYBDPMFKSA-N 2 1 274.408 2.470 20 0 CEADMP COc1ccc(C(C)C)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000653501784 415018057 /nfs/dbraw/zinc/01/80/57/415018057.db2.gz IHKRXZIOJBJMAM-IYBDPMFKSA-N 2 1 274.408 2.470 20 0 CEADMP C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnccn1 ZINC000663469830 414964872 /nfs/dbraw/zinc/96/48/72/414964872.db2.gz RAAZQFWEWSDMJM-ZFWWWQNUSA-N 2 1 274.412 2.249 20 0 CEADMP c1cc2c(cc[nH+]c2N[C@@H]2CCn3cc[nH+]c3C2)[nH]1 ZINC000663819552 415059355 /nfs/dbraw/zinc/05/93/55/415059355.db2.gz DEQWTQUGJFPFIE-SNVBAGLBSA-N 2 1 253.309 2.186 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000653685301 415072812 /nfs/dbraw/zinc/07/28/12/415072812.db2.gz XSRZUVYGHZQSMX-AWEZNQCLSA-N 2 1 293.802 2.150 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000653685301 415072815 /nfs/dbraw/zinc/07/28/15/415072815.db2.gz XSRZUVYGHZQSMX-AWEZNQCLSA-N 2 1 293.802 2.150 20 0 CEADMP Cc1cc(CO)cc(N[C@@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC000663749245 415037660 /nfs/dbraw/zinc/03/76/60/415037660.db2.gz PSTCBKUFKSVIBA-MRXNPFEDSA-N 2 1 283.375 2.481 20 0 CEADMP Cc1cc(CO)cc(N[C@@H]2CN(C)Cc3ccccc32)n1 ZINC000663749245 415037665 /nfs/dbraw/zinc/03/76/65/415037665.db2.gz PSTCBKUFKSVIBA-MRXNPFEDSA-N 2 1 283.375 2.481 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CNC1(c2ccc(F)cc2)CCC1 ZINC000653577113 415040587 /nfs/dbraw/zinc/04/05/87/415040587.db2.gz CBWRBGUTPCMXIF-HNNXBMFYSA-N 2 1 280.387 2.107 20 0 CEADMP FCC1(CF)CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000657840132 415100432 /nfs/dbraw/zinc/10/04/32/415100432.db2.gz MJNXKDQNRMVKQL-AAEUAGOBSA-N 2 1 258.356 2.291 20 0 CEADMP FCC1(CF)CC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000657835810 415101552 /nfs/dbraw/zinc/10/15/52/415101552.db2.gz RDWHRUQXUXXBGE-NSHDSACASA-N 2 1 258.356 2.148 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657843665 415103133 /nfs/dbraw/zinc/10/31/33/415103133.db2.gz FWUOGIYHSCBOJK-UONOGXRCSA-N 2 1 262.401 2.040 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657843665 415103136 /nfs/dbraw/zinc/10/31/36/415103136.db2.gz FWUOGIYHSCBOJK-UONOGXRCSA-N 2 1 262.401 2.040 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661169492 415119069 /nfs/dbraw/zinc/11/90/69/415119069.db2.gz UVMBEILJYDREHC-OAHLLOKOSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661169492 415119071 /nfs/dbraw/zinc/11/90/71/415119071.db2.gz UVMBEILJYDREHC-OAHLLOKOSA-N 2 1 263.385 2.083 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC23CC3)CCCO1 ZINC000657993172 415146614 /nfs/dbraw/zinc/14/66/14/415146614.db2.gz XIZJWXYSFKZEFW-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC23CC3)CCCO1 ZINC000657993172 415146617 /nfs/dbraw/zinc/14/66/17/415146617.db2.gz XIZJWXYSFKZEFW-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000658033870 415167970 /nfs/dbraw/zinc/16/79/70/415167970.db2.gz BKQVYKFUCMYYNT-SJORKVTESA-N 2 1 298.471 2.140 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccnc2ccncc21 ZINC000664143307 415192280 /nfs/dbraw/zinc/19/22/80/415192280.db2.gz UKLIRGZLENMQKY-GFCCVEGCSA-N 2 1 270.380 2.336 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C(C)(C)C)[C@H]2CCC[C@H]21 ZINC000658063443 415184815 /nfs/dbraw/zinc/18/48/15/415184815.db2.gz VPFYIZQDBQWHBG-XUWVNRHRSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C(C)(C)C)[C@H]2CCC[C@H]21 ZINC000658063443 415184823 /nfs/dbraw/zinc/18/48/23/415184823.db2.gz VPFYIZQDBQWHBG-XUWVNRHRSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C(C)(C)C)[C@H]2CCC[C@H]21 ZINC000658063443 415184828 /nfs/dbraw/zinc/18/48/28/415184828.db2.gz VPFYIZQDBQWHBG-XUWVNRHRSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)[C@H]2CCC[C@H]21 ZINC000658063443 415184836 /nfs/dbraw/zinc/18/48/36/415184836.db2.gz VPFYIZQDBQWHBG-XUWVNRHRSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)[C@H]2CCC[C@H]21 ZINC000658063443 415184842 /nfs/dbraw/zinc/18/48/42/415184842.db2.gz VPFYIZQDBQWHBG-XUWVNRHRSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cnn(C)c1 ZINC000044495301 175182414 /nfs/dbraw/zinc/18/24/14/175182414.db2.gz FNMZLNMFXSZFIS-LLVKDONJSA-N 2 1 264.417 2.380 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC000658094616 415205511 /nfs/dbraw/zinc/20/55/11/415205511.db2.gz ZFWCKPBHTJYRAC-ILXRZTDVSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC000658094616 415205518 /nfs/dbraw/zinc/20/55/18/415205518.db2.gz ZFWCKPBHTJYRAC-ILXRZTDVSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC000658094616 415205523 /nfs/dbraw/zinc/20/55/23/415205523.db2.gz ZFWCKPBHTJYRAC-ILXRZTDVSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H]2C2CCCC2)n1 ZINC000045074063 175302720 /nfs/dbraw/zinc/30/27/20/175302720.db2.gz RFQKKWGMEQDIOV-GFCCVEGCSA-N 2 1 278.400 2.418 20 0 CEADMP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)O1 ZINC000658215223 415258120 /nfs/dbraw/zinc/25/81/20/415258120.db2.gz GDGYMXDECDOVPE-HYVNUMGLSA-N 2 1 296.455 2.177 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)O1 ZINC000658216851 415258481 /nfs/dbraw/zinc/25/84/81/415258481.db2.gz VHBKECOHMYLZSM-IBEHDNSVSA-N 2 1 266.429 2.406 20 0 CEADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000658123060 415220459 /nfs/dbraw/zinc/22/04/59/415220459.db2.gz IXNVKJQVJOKYJG-BRWVUGGUSA-N 2 1 273.424 2.395 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(C2CCC2)CC1 ZINC000661373702 415226851 /nfs/dbraw/zinc/22/68/51/415226851.db2.gz DURZYZSXXDNYET-INIZCTEOSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C2CCC2)CC1 ZINC000661373702 415226857 /nfs/dbraw/zinc/22/68/57/415226857.db2.gz DURZYZSXXDNYET-INIZCTEOSA-N 2 1 268.445 2.200 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661545860 415322697 /nfs/dbraw/zinc/32/26/97/415322697.db2.gz HQIOFJGWGKULLG-CHWSQXEVSA-N 2 1 263.385 2.129 20 0 CEADMP Cn1cncc1CC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661670000 415392369 /nfs/dbraw/zinc/39/23/69/415392369.db2.gz YWVQUHVERIHOSJ-FUHWJXTLSA-N 2 1 299.418 2.061 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CS1 ZINC000655697946 415394790 /nfs/dbraw/zinc/39/47/90/415394790.db2.gz SFBNXWQZNSDUTJ-WCQYABFASA-N 2 1 254.443 2.487 20 0 CEADMP CCC[C@@H](CCO)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655717508 415408217 /nfs/dbraw/zinc/40/82/17/415408217.db2.gz DURHSCLMVVNGNQ-RDJZCZTQSA-N 2 1 298.471 2.018 20 0 CEADMP CCC(CC)(CCO)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655719861 415411499 /nfs/dbraw/zinc/41/14/99/415411499.db2.gz ZBDQRZCPKIMHLD-INIZCTEOSA-N 2 1 298.471 2.018 20 0 CEADMP CC1(C)C[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655741112 415428042 /nfs/dbraw/zinc/42/80/42/415428042.db2.gz FIXIRSAUNFRLIH-UONOGXRCSA-N 2 1 252.402 2.018 20 0 CEADMP CCOC1CC(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655759934 415440011 /nfs/dbraw/zinc/44/00/11/415440011.db2.gz IJWMVNFWXFDDKX-ARWYELJZSA-N 2 1 296.455 2.035 20 0 CEADMP CC/C=C\C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772443 415450391 /nfs/dbraw/zinc/45/03/91/415450391.db2.gz IOGHNFHVPADUHE-JZIMQPMSSA-N 2 1 252.402 2.186 20 0 CEADMP CN(CC(C)(C)[NH3+])C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000659435310 415573826 /nfs/dbraw/zinc/57/38/26/415573826.db2.gz XQSIMECAZLBYFA-UHFFFAOYSA-N 2 1 298.475 2.020 20 0 CEADMP Cc1cnc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000656199979 415632477 /nfs/dbraw/zinc/63/24/77/415632477.db2.gz HVXHFCNZGKWUTR-GOEBONIOSA-N 2 1 261.413 2.361 20 0 CEADMP CC(C)NC(=O)[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000662113969 415633690 /nfs/dbraw/zinc/63/36/90/415633690.db2.gz RMAVDOSQBYNHRL-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)NC(=O)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000662113969 415633696 /nfs/dbraw/zinc/63/36/96/415633696.db2.gz RMAVDOSQBYNHRL-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)NC(=O)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000662113969 415633698 /nfs/dbraw/zinc/63/36/98/415633698.db2.gz RMAVDOSQBYNHRL-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]([NH2+]CCc1noc2ccccc12)[C@H]1CCCC[NH2+]1 ZINC000665231981 415634836 /nfs/dbraw/zinc/63/48/36/415634836.db2.gz CJUXLQLJVBNPGC-TZMCWYRMSA-N 2 1 273.380 2.491 20 0 CEADMP C[C@@H]([NH2+]CCc1noc2ccccc12)[C@H]1CCC[NH2+]1 ZINC000665232568 415634903 /nfs/dbraw/zinc/63/49/03/415634903.db2.gz PHXIGKJVSCJDRY-DGCLKSJQSA-N 2 1 259.353 2.100 20 0 CEADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCCOCC2)cc1 ZINC000665257287 415652607 /nfs/dbraw/zinc/65/26/07/415652607.db2.gz FGIDPNOJDPJMFA-IKGGRYGDSA-N 2 1 292.398 2.430 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@@]1(C)CO ZINC000662148843 415659392 /nfs/dbraw/zinc/65/93/92/415659392.db2.gz LIFSIMXIIMTRFZ-YOEHRIQHSA-N 2 1 285.391 2.323 20 0 CEADMP O[C@H]1CC[N@H+](C2CC[NH+](CCC3CCCC3)CC2)C1 ZINC000662154904 415661880 /nfs/dbraw/zinc/66/18/80/415661880.db2.gz HJLUFKGHFGFOFA-INIZCTEOSA-N 2 1 266.429 2.098 20 0 CEADMP Cc1ccccc1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154726 415662070 /nfs/dbraw/zinc/66/20/70/415662070.db2.gz CAUKQJJPNNOMRN-QGZVFWFLSA-N 2 1 274.408 2.026 20 0 CEADMP Cc1ccccc1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154726 415662073 /nfs/dbraw/zinc/66/20/73/415662073.db2.gz CAUKQJJPNNOMRN-QGZVFWFLSA-N 2 1 274.408 2.026 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1C ZINC000665289449 415679527 /nfs/dbraw/zinc/67/95/27/415679527.db2.gz OKFPXCHFYZSHAT-GFCCVEGCSA-N 2 1 286.379 2.109 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000071147379 176043670 /nfs/dbraw/zinc/04/36/70/176043670.db2.gz BTSCARMUXUSRCW-GFCCVEGCSA-N 2 1 268.788 2.260 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000071147379 176043672 /nfs/dbraw/zinc/04/36/72/176043672.db2.gz BTSCARMUXUSRCW-GFCCVEGCSA-N 2 1 268.788 2.260 20 0 CEADMP O=c1cc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)nc(C2CC2)[nH]1 ZINC000656433080 415694478 /nfs/dbraw/zinc/69/44/78/415694478.db2.gz CRAFBQNQMRSKQC-CQSZACIVSA-N 2 1 299.378 2.093 20 0 CEADMP O=c1cc(CN2CCC[C@@H](n3ccnc3)C2)nc(C2CC2)[nH]1 ZINC000656433080 415694484 /nfs/dbraw/zinc/69/44/84/415694484.db2.gz CRAFBQNQMRSKQC-CQSZACIVSA-N 2 1 299.378 2.093 20 0 CEADMP c1cn([C@H]2CCC[N@H+](Cc3cnc(C4CC4)nc3)C2)cn1 ZINC000656431527 415694546 /nfs/dbraw/zinc/69/45/46/415694546.db2.gz GZADYAVZEZHUDZ-HNNXBMFYSA-N 2 1 283.379 2.388 20 0 CEADMP c1cn([C@H]2CCCN(Cc3cnc(C4CC4)nc3)C2)cn1 ZINC000656431527 415694555 /nfs/dbraw/zinc/69/45/55/415694555.db2.gz GZADYAVZEZHUDZ-HNNXBMFYSA-N 2 1 283.379 2.388 20 0 CEADMP Cc1ccc(CN(C[C@H](O)C[N@H+](C)C(C)C)C2CC2)o1 ZINC000659846770 415729880 /nfs/dbraw/zinc/72/98/80/415729880.db2.gz WWDPSDUXVTXHGU-OAHLLOKOSA-N 2 1 280.412 2.254 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC[C@@H]2CCc3ccccc32)CCO1 ZINC000662247273 415707863 /nfs/dbraw/zinc/70/78/63/415707863.db2.gz DTDCGJBSISLFRS-QRTARXTBSA-N 2 1 274.408 2.155 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)CCO1 ZINC000662247273 415707867 /nfs/dbraw/zinc/70/78/67/415707867.db2.gz DTDCGJBSISLFRS-QRTARXTBSA-N 2 1 274.408 2.155 20 0 CEADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCCCC1 ZINC000662248937 415709995 /nfs/dbraw/zinc/70/99/95/415709995.db2.gz LZOQMCYLPUHKKA-AWEZNQCLSA-N 2 1 252.402 2.162 20 0 CEADMP Fc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248454 415710208 /nfs/dbraw/zinc/71/02/08/415710208.db2.gz CADOTQSPBJKAPI-CVEARBPZSA-N 2 1 290.382 2.484 20 0 CEADMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249459 415711501 /nfs/dbraw/zinc/71/15/01/415711501.db2.gz NZWUEXIPBHNTHC-HNNXBMFYSA-N 2 1 260.381 2.030 20 0 CEADMP CCc1nocc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662273240 415740342 /nfs/dbraw/zinc/74/03/42/415740342.db2.gz KSARYJBHAQMGHK-KGLIPLIRSA-N 2 1 277.412 2.449 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)C1CCCC1 ZINC000662280162 415747058 /nfs/dbraw/zinc/74/70/58/415747058.db2.gz CYXRSGAKNGNPOD-VHDGCEQUSA-N 2 1 254.418 2.108 20 0 CEADMP [NH3+]CCC[N@@H+](CCO[C@H]1CC1(F)F)CC1CCCC1 ZINC000662271919 415736465 /nfs/dbraw/zinc/73/64/65/415736465.db2.gz BPGCPGLXVZQBIS-ZDUSSCGKSA-N 2 1 276.371 2.252 20 0 CEADMP C(c1nc(C2CC2)no1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298892 415762836 /nfs/dbraw/zinc/76/28/36/415762836.db2.gz XZIPRZVEFBDBMY-AWEZNQCLSA-N 2 1 290.411 2.159 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H]1CCO ZINC000662303553 415765856 /nfs/dbraw/zinc/76/58/56/415765856.db2.gz WWVWQUROXFKXNK-KSSFIOAISA-N 2 1 288.435 2.315 20 0 CEADMP c1cc2c(cc1C[N@H+]1CC[C@@]3(C1)CCCOC3)C[NH2+]CC2 ZINC000662314746 415774284 /nfs/dbraw/zinc/77/42/84/415774284.db2.gz GMIAPERUKWNBIS-GOSISDBHSA-N 2 1 286.419 2.335 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662284175 415750984 /nfs/dbraw/zinc/75/09/84/415750984.db2.gz LXOZFJUEHADRRU-GGGWTEGZSA-N 2 1 278.440 2.393 20 0 CEADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662285450 415752942 /nfs/dbraw/zinc/75/29/42/415752942.db2.gz KARFUBIQVWDQMM-GJZGRUSLSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000659874888 415753390 /nfs/dbraw/zinc/75/33/90/415753390.db2.gz UAJLADCRNKPPDF-IXDOHACOSA-N 2 1 279.472 2.134 20 0 CEADMP CC(C)NC(=O)[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000662318320 415777548 /nfs/dbraw/zinc/77/75/48/415777548.db2.gz YXYVUDFFHDOITI-INIZCTEOSA-N 2 1 295.471 2.003 20 0 CEADMP C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000662292340 415755418 /nfs/dbraw/zinc/75/54/18/415755418.db2.gz DVLWBLFGFZUISV-WBVHZDCISA-N 3 1 279.472 2.088 20 0 CEADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662317806 415779121 /nfs/dbraw/zinc/77/91/21/415779121.db2.gz SSZLTGINBODNSD-CABCVRRESA-N 2 1 264.413 2.020 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCOCC2CCCC2)CCO1 ZINC000662325903 415780925 /nfs/dbraw/zinc/78/09/25/415780925.db2.gz KXNWZFYCNIGFRF-QGZVFWFLSA-N 2 1 298.471 2.236 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCOCC2CCCC2)CCO1 ZINC000662325903 415780932 /nfs/dbraw/zinc/78/09/32/415780932.db2.gz KXNWZFYCNIGFRF-QGZVFWFLSA-N 2 1 298.471 2.236 20 0 CEADMP CO[C@H](C[N@@H+](C)CC1CC[NH+](C)CC1)C1CCCC1 ZINC000659921722 415781237 /nfs/dbraw/zinc/78/12/37/415781237.db2.gz XQNOVIFFYFCNEL-MRXNPFEDSA-N 2 1 268.445 2.465 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCCCF)CCO1 ZINC000662322899 415781432 /nfs/dbraw/zinc/78/14/32/415781432.db2.gz JKSZCFYWHXMFOK-AWEZNQCLSA-N 2 1 260.397 2.169 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325424 415782544 /nfs/dbraw/zinc/78/25/44/415782544.db2.gz GFBKALFSIFPOBX-JKSUJKDBSA-N 2 1 286.460 2.090 20 0 CEADMP c1cc2c(nc[nH+]c2N2CCC[C@@H](C3CC[NH2+]CC3)C2)[nH]1 ZINC000656609948 415784113 /nfs/dbraw/zinc/78/41/13/415784113.db2.gz XCIAIRVCXAMUDK-CYBMUJFWSA-N 2 1 285.395 2.174 20 0 CEADMP O[C@@]1(C(F)(F)F)CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000656630564 415790240 /nfs/dbraw/zinc/79/02/40/415790240.db2.gz YMGNGTZPWGVOQB-AAEUAGOBSA-N 2 1 292.345 2.049 20 0 CEADMP CC[C@H]([NH2+]C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000662454003 415850735 /nfs/dbraw/zinc/85/07/35/415850735.db2.gz FAJCVPIHVXFGKF-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCO[C@@H]2CC2(F)F)CC1 ZINC000659983819 415825337 /nfs/dbraw/zinc/82/53/37/415825337.db2.gz WODMMAUBFXNXLV-CYBMUJFWSA-N 2 1 276.371 2.217 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC1CCC1 ZINC000660117105 415886543 /nfs/dbraw/zinc/88/65/43/415886543.db2.gz MBOYSMCOUUMVSC-OAGGEKHMSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000662622727 415908634 /nfs/dbraw/zinc/90/86/34/415908634.db2.gz TVHLJCYATSECQF-CABCVRRESA-N 2 1 289.423 2.066 20 0 CEADMP FC(F)n1ccnc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785114 415859227 /nfs/dbraw/zinc/85/92/27/415859227.db2.gz ITUTUGUIWZRUOR-CYBMUJFWSA-N 2 1 298.381 2.490 20 0 CEADMP FC(F)n1ccnc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785114 415859230 /nfs/dbraw/zinc/85/92/30/415859230.db2.gz ITUTUGUIWZRUOR-CYBMUJFWSA-N 2 1 298.381 2.490 20 0 CEADMP C([C@@H]1CCSC1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783290 415860158 /nfs/dbraw/zinc/86/01/58/415860158.db2.gz OOYDMOFEADUSLV-DZGCQCFKSA-N 2 1 268.470 2.451 20 0 CEADMP Clc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[NH2+]C2)C1 ZINC000656787874 415861025 /nfs/dbraw/zinc/86/10/25/415861025.db2.gz XZAZRTGZHAWFOO-OLZOCXBDSA-N 2 1 279.815 2.118 20 0 CEADMP CCn1ccnc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656785975 415861796 /nfs/dbraw/zinc/86/17/96/415861796.db2.gz OQGVCOSNVQPDDO-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787321 415861844 /nfs/dbraw/zinc/86/18/44/415861844.db2.gz XHDGJCZSFYEJRT-JKSUJKDBSA-N 3 1 267.461 2.071 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)CCCCCC1 ZINC000656786576 415861904 /nfs/dbraw/zinc/86/19/04/415861904.db2.gz NTTLCKAMMDMOKP-UHFFFAOYSA-N 3 1 287.451 2.474 20 0 CEADMP CCSc1cccc(C[NH2+]C[C@@H](O)CN(C)C2CC2)c1 ZINC000566733389 299018345 /nfs/dbraw/zinc/01/83/45/299018345.db2.gz RXFMBHCIKAYZHR-OAHLLOKOSA-N 2 1 294.464 2.343 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442931634 227230400 /nfs/dbraw/zinc/23/04/00/227230400.db2.gz WJDWBSDBQCQTBP-AWEZNQCLSA-N 2 1 272.396 2.204 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1nccn1Cc1ccccc1 ZINC000666743864 419411475 /nfs/dbraw/zinc/41/14/75/419411475.db2.gz IJGLPVLCTAVUPV-HZPDHXFCSA-N 2 1 284.407 2.148 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1nccn1Cc1ccccc1 ZINC000666743865 419412316 /nfs/dbraw/zinc/41/23/16/419412316.db2.gz IJGLPVLCTAVUPV-JKSUJKDBSA-N 2 1 284.407 2.148 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666805806 419434238 /nfs/dbraw/zinc/43/42/38/419434238.db2.gz FOPMGJZUFILROW-UHFFFAOYSA-N 2 1 292.814 2.284 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCC[NH2+]CC3)CCN2)cc1 ZINC000666858948 419448574 /nfs/dbraw/zinc/44/85/74/419448574.db2.gz MTASHLNBSNWVSS-BBWFWOEESA-N 2 1 273.424 2.211 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858934 419450392 /nfs/dbraw/zinc/45/03/92/419450392.db2.gz IXIIQMFTSWHBOM-KFWWJZLASA-N 3 1 253.434 2.029 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1nccc2ccccc21 ZINC000666879616 419455441 /nfs/dbraw/zinc/45/54/41/419455441.db2.gz GLCSYJKBFFRELP-SWLSCSKDSA-N 2 1 255.365 2.322 20 0 CEADMP C[C@H]([NH2+]Cc1ccc2cncn2c1)C1CC[NH+](C)CC1 ZINC000666152635 419556925 /nfs/dbraw/zinc/55/69/25/419556925.db2.gz CJPWFXSYCGESAP-ZDUSSCGKSA-N 2 1 272.396 2.154 20 0 CEADMP CC[N@@H+]1CC[C@@H](N(C)Cc2c[nH+]c(C)n2C)C[C@H]1C ZINC000667664689 419763041 /nfs/dbraw/zinc/76/30/41/419763041.db2.gz QSGJLHJIVZRTCO-TZMCWYRMSA-N 2 1 264.417 2.033 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2c[nH+]c(C)n2C)C[C@H]1C ZINC000667664689 419763047 /nfs/dbraw/zinc/76/30/47/419763047.db2.gz QSGJLHJIVZRTCO-TZMCWYRMSA-N 2 1 264.417 2.033 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@H]2CCCc3c2cnn3C)CC[NH2+]1 ZINC000666649577 419762981 /nfs/dbraw/zinc/76/29/81/419762981.db2.gz DNWMDHWEWKSPNF-IPYPFGDCSA-N 2 1 276.428 2.117 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](OC(F)F)C2)CC[NH2+]1 ZINC000666654576 419764798 /nfs/dbraw/zinc/76/47/98/419764798.db2.gz YACFMDXKDCPBGQ-GRYCIOLGSA-N 2 1 262.344 2.078 20 0 CEADMP COc1ccc(-c2cc(C[N@H+](C)CCC[NH3+])on2)cc1 ZINC000666686247 419775841 /nfs/dbraw/zinc/77/58/41/419775841.db2.gz UTRWQXNRNOGPHF-UHFFFAOYSA-N 2 1 275.352 2.131 20 0 CEADMP COc1ccc(-c2cc(C[N@@H+](C)CCC[NH3+])on2)cc1 ZINC000666686247 419775848 /nfs/dbraw/zinc/77/58/48/419775848.db2.gz UTRWQXNRNOGPHF-UHFFFAOYSA-N 2 1 275.352 2.131 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCOCC3(CCCC3)C2)CC[NH2+]1 ZINC000666705410 419779503 /nfs/dbraw/zinc/77/95/03/419779503.db2.gz PMWCOAWOJHTKBK-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000037887370 260165541 /nfs/dbraw/zinc/16/55/41/260165541.db2.gz AWXVAGXLZZXXNO-CQSZACIVSA-N 2 1 268.788 2.057 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)C1(C)C ZINC000300619877 260221095 /nfs/dbraw/zinc/22/10/95/260221095.db2.gz BBECVAKMYYBWMW-HZSPNIEDSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@]1(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CCC[NH2+]1 ZINC000214481006 260367417 /nfs/dbraw/zinc/36/74/17/260367417.db2.gz GKRLCVJDOSDBHN-QGZVFWFLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@]1(C[NH2+]Cc2cnn(Cc3ccccc3)c2)CCC[NH2+]C1 ZINC000390322929 262178736 /nfs/dbraw/zinc/17/87/36/262178736.db2.gz IUIRRTFQWDDXPS-GOSISDBHSA-N 2 1 298.434 2.411 20 0 CEADMP COC[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000452075130 263034331 /nfs/dbraw/zinc/03/43/31/263034331.db2.gz ANTJSXWVRGUIFB-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000452075130 263034332 /nfs/dbraw/zinc/03/43/32/263034332.db2.gz ANTJSXWVRGUIFB-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000452075130 263034333 /nfs/dbraw/zinc/03/43/33/263034333.db2.gz ANTJSXWVRGUIFB-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)cc2)[C@@H]1C[NH3+] ZINC000430551397 263262575 /nfs/dbraw/zinc/26/25/75/263262575.db2.gz HXIKIKVHDFEBDS-IUODEOHRSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)[C@@H]1C[NH3+] ZINC000430551397 263262577 /nfs/dbraw/zinc/26/25/77/263262577.db2.gz HXIKIKVHDFEBDS-IUODEOHRSA-N 2 1 293.386 2.214 20 0 CEADMP CCC(O)(CC)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000471787559 263262814 /nfs/dbraw/zinc/26/28/14/263262814.db2.gz MUDIBUIECDSPMQ-BFHYXJOUSA-N 2 1 256.434 2.246 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C1CC1 ZINC000453396369 263263310 /nfs/dbraw/zinc/26/33/10/263263310.db2.gz ILLPTDIAFXDMJT-RRFJBIMHSA-N 2 1 266.429 2.264 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CC1 ZINC000453396370 263263525 /nfs/dbraw/zinc/26/35/25/263263525.db2.gz ILLPTDIAFXDMJT-ZNMIVQPWSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1cc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)nn1C ZINC000414389804 533687475 /nfs/dbraw/zinc/68/74/75/533687475.db2.gz GWPKUWJFWUWLOE-UHFFFAOYSA-N 2 1 299.422 2.191 20 0 CEADMP CC[C@H](C)C[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192738255 270279392 /nfs/dbraw/zinc/27/93/92/270279392.db2.gz BVOBQUBTYXOCMA-INIZCTEOSA-N 2 1 269.477 2.380 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000192748987 270279612 /nfs/dbraw/zinc/27/96/12/270279612.db2.gz KCKDSDFQXOSILR-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000236753182 270317441 /nfs/dbraw/zinc/31/74/41/270317441.db2.gz DBGOJOSEQQWPLN-HNNXBMFYSA-N 2 1 295.471 2.276 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000397236469 270352454 /nfs/dbraw/zinc/35/24/54/270352454.db2.gz BOPCLHUEEMJFPA-VNHYZAJKSA-N 2 1 290.407 2.263 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000398140524 270356701 /nfs/dbraw/zinc/35/67/01/270356701.db2.gz WFOXCUXCVMWKNJ-KBAYOESNSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000398140524 270356703 /nfs/dbraw/zinc/35/67/03/270356703.db2.gz WFOXCUXCVMWKNJ-KBAYOESNSA-N 2 1 287.451 2.239 20 0 CEADMP CC(C)(C)CCNC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420405820 270537369 /nfs/dbraw/zinc/53/73/69/270537369.db2.gz UCVYAUOQKFLATJ-GJZGRUSLSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)(C)CCNC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420405820 270537371 /nfs/dbraw/zinc/53/73/71/270537371.db2.gz UCVYAUOQKFLATJ-GJZGRUSLSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422735543 270745014 /nfs/dbraw/zinc/74/50/14/270745014.db2.gz FEACFVCHAFEKNV-GJZGRUSLSA-N 3 1 255.450 2.214 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422866015 270794459 /nfs/dbraw/zinc/79/44/59/270794459.db2.gz ZVYTYXXWTIBOOH-ZIAGYGMSSA-N 3 1 253.434 2.110 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000422866015 270794462 /nfs/dbraw/zinc/79/44/62/270794462.db2.gz ZVYTYXXWTIBOOH-ZIAGYGMSSA-N 3 1 253.434 2.110 20 0 CEADMP CC(C)c1csc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000422893360 270800229 /nfs/dbraw/zinc/80/02/29/270800229.db2.gz QFOSXEQFPTZRCL-WDEREUQCSA-N 2 1 253.415 2.484 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423304977 270892508 /nfs/dbraw/zinc/89/25/08/270892508.db2.gz ZUXDZJBOKBSJFZ-REWJHTLYSA-N 2 1 252.402 2.051 20 0 CEADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)CCC2 ZINC000423311262 270894332 /nfs/dbraw/zinc/89/43/32/270894332.db2.gz BNSCEYKSCDDHSE-MNOVXSKESA-N 2 1 251.399 2.156 20 0 CEADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423322136 270896510 /nfs/dbraw/zinc/89/65/10/270896510.db2.gz NPWNNUKBATXLHQ-STQMWFEESA-N 2 1 264.344 2.149 20 0 CEADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423492536 270917519 /nfs/dbraw/zinc/91/75/19/270917519.db2.gz NLSQKHWIMRASGM-WPGHFRTFSA-N 2 1 278.371 2.027 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cn1 ZINC000423503110 270919018 /nfs/dbraw/zinc/91/90/18/270919018.db2.gz MOJIQWKEENRIHF-WFASDCNBSA-N 2 1 277.412 2.128 20 0 CEADMP C[C@@H]1C[N@H+](C)CCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424137766 271020435 /nfs/dbraw/zinc/02/04/35/271020435.db2.gz CKTWEYACOQNKQX-ZBFHGGJFSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424137766 271020439 /nfs/dbraw/zinc/02/04/39/271020439.db2.gz CKTWEYACOQNKQX-ZBFHGGJFSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1C[N@H+](C)CCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424137760 271021525 /nfs/dbraw/zinc/02/15/25/271021525.db2.gz CKTWEYACOQNKQX-GDBMZVCRSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424137760 271021527 /nfs/dbraw/zinc/02/15/27/271021527.db2.gz CKTWEYACOQNKQX-GDBMZVCRSA-N 2 1 295.471 2.227 20 0 CEADMP [NH3+][C@@H](Cc1ccccc1)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424342361 271048925 /nfs/dbraw/zinc/04/89/25/271048925.db2.gz XURUEZRPICTTOZ-ZDUSSCGKSA-N 2 1 286.379 2.430 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)n1 ZINC000424369342 271050685 /nfs/dbraw/zinc/05/06/85/271050685.db2.gz BGIBCRYIPQRRIR-ZDUSSCGKSA-N 2 1 275.396 2.060 20 0 CEADMP CN(C)c1ncc(CN2CC[C@@H](Nc3ccccc3)C2)n1C ZINC000425321309 271155592 /nfs/dbraw/zinc/15/55/92/271155592.db2.gz FGBNGCYJJDDQHQ-OAHLLOKOSA-N 2 1 299.422 2.173 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000426313681 271210875 /nfs/dbraw/zinc/21/08/75/271210875.db2.gz NOHKXSHKWWSHOE-IJEWVQPXSA-N 2 1 291.414 2.334 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000426313681 271210878 /nfs/dbraw/zinc/21/08/78/271210878.db2.gz NOHKXSHKWWSHOE-IJEWVQPXSA-N 2 1 291.414 2.334 20 0 CEADMP COC1(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000429517693 271336761 /nfs/dbraw/zinc/33/67/61/271336761.db2.gz NWDSKXVRNAUZPW-UONOGXRCSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H](CO)[N@H+](CCC[NH+]1CCCCC1)C1CCCC1 ZINC000429622246 271337154 /nfs/dbraw/zinc/33/71/54/271337154.db2.gz DYNNFWFCBVKTLI-HNNXBMFYSA-N 2 1 268.445 2.488 20 0 CEADMP C[C@@H](CO)[N@@H+](CCC[NH+]1CCCCC1)C1CCCC1 ZINC000429622246 271337158 /nfs/dbraw/zinc/33/71/58/271337158.db2.gz DYNNFWFCBVKTLI-HNNXBMFYSA-N 2 1 268.445 2.488 20 0 CEADMP C[NH+](C)C1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000429986381 271350112 /nfs/dbraw/zinc/35/01/12/271350112.db2.gz BTRYYWKBDNNZJQ-UHFFFAOYSA-N 3 1 265.445 2.076 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000430569004 271391718 /nfs/dbraw/zinc/39/17/18/271391718.db2.gz DMLWEXDYLNMWHW-STQMWFEESA-N 2 1 266.360 2.264 20 0 CEADMP OCCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690462 271601288 /nfs/dbraw/zinc/60/12/88/271601288.db2.gz HKRMULHZNFCBBO-UHFFFAOYSA-N 2 1 277.412 2.171 20 0 CEADMP CC(C)C[NH+]1CCC(Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000263773077 273511159 /nfs/dbraw/zinc/51/11/59/273511159.db2.gz KJXKPLGGUGKOLZ-UHFFFAOYSA-N 2 1 273.384 2.490 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261958722 274151592 /nfs/dbraw/zinc/15/15/92/274151592.db2.gz OZUUJIMAOFLRHD-AWEZNQCLSA-N 2 1 274.408 2.095 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000252715407 274335407 /nfs/dbraw/zinc/33/54/07/274335407.db2.gz VMHSBJYKLAVCRV-COXVUDFISA-N 2 1 258.409 2.474 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000252715407 274335410 /nfs/dbraw/zinc/33/54/10/274335410.db2.gz VMHSBJYKLAVCRV-COXVUDFISA-N 2 1 258.409 2.474 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000360053288 274340990 /nfs/dbraw/zinc/34/09/90/274340990.db2.gz CZKUCKBBTYCPJF-DTTOXWODSA-N 2 1 287.451 2.491 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000360053288 274340992 /nfs/dbraw/zinc/34/09/92/274340992.db2.gz CZKUCKBBTYCPJF-DTTOXWODSA-N 2 1 287.451 2.491 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000360053288 274340993 /nfs/dbraw/zinc/34/09/93/274340993.db2.gz CZKUCKBBTYCPJF-DTTOXWODSA-N 2 1 287.451 2.491 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000360053288 274340995 /nfs/dbraw/zinc/34/09/95/274340995.db2.gz CZKUCKBBTYCPJF-DTTOXWODSA-N 2 1 287.451 2.491 20 0 CEADMP c1cc2c(nc[nH+]c2N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[nH]1 ZINC000269458455 275065099 /nfs/dbraw/zinc/06/50/99/275065099.db2.gz XNRKUTSKDFJKRP-SWLSCSKDSA-N 2 1 297.406 2.411 20 0 CEADMP c1cc2c(nc[nH+]c2N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[nH]1 ZINC000269458455 275065100 /nfs/dbraw/zinc/06/51/00/275065100.db2.gz XNRKUTSKDFJKRP-SWLSCSKDSA-N 2 1 297.406 2.411 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C1CCSCC1 ZINC000310259772 275394656 /nfs/dbraw/zinc/39/46/56/275394656.db2.gz LRVVSVFYGDDXHX-UHFFFAOYSA-N 2 1 254.443 2.346 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414903902 275539540 /nfs/dbraw/zinc/53/95/40/275539540.db2.gz MQVSUTIDLKZRBC-HNNXBMFYSA-N 2 1 264.417 2.187 20 0 CEADMP CC(C)C[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000347353679 275920664 /nfs/dbraw/zinc/92/06/64/275920664.db2.gz ZPMWVXTXMBMJEU-CABCVRRESA-N 2 1 254.418 2.264 20 0 CEADMP CCC[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414978717 276041835 /nfs/dbraw/zinc/04/18/35/276041835.db2.gz SHLOPOZIOKJXFP-QZTJIDSGSA-N 2 1 289.467 2.281 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2(O)CCC(C)CC2)C1 ZINC000304752303 276072708 /nfs/dbraw/zinc/07/27/08/276072708.db2.gz XWFODAICPBYGMT-PCKAHOCUSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2(O)CCC(C)CC2)C1 ZINC000304752303 276072710 /nfs/dbraw/zinc/07/27/10/276072710.db2.gz XWFODAICPBYGMT-PCKAHOCUSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2(O)CCC(C)CC2)C1 ZINC000304752303 276072711 /nfs/dbraw/zinc/07/27/11/276072711.db2.gz XWFODAICPBYGMT-PCKAHOCUSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@@H](C)C2)C1 ZINC000352618061 276106396 /nfs/dbraw/zinc/10/63/96/276106396.db2.gz LOIMDJDNBYROCI-JYJNAYRXSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCSC(C)(C)C)C2)CC1 ZINC000376764386 276200964 /nfs/dbraw/zinc/20/09/64/276200964.db2.gz LMJMNKKCNNVTTI-HNNXBMFYSA-N 2 1 299.528 2.230 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCOC2)C[C@@H]1C ZINC000336724359 276224898 /nfs/dbraw/zinc/22/48/98/276224898.db2.gz ZXHOXAMIEAGIOC-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCOC2)C[C@@H]1C ZINC000336724359 276224899 /nfs/dbraw/zinc/22/48/99/276224899.db2.gz ZXHOXAMIEAGIOC-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCOC2)C[C@@H]1C ZINC000336724359 276224900 /nfs/dbraw/zinc/22/49/00/276224900.db2.gz ZXHOXAMIEAGIOC-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(OC)CC2)[C@H](C)C1 ZINC000346424513 276227835 /nfs/dbraw/zinc/22/78/35/276227835.db2.gz LBKPEPDFZLPVDT-URGYJCLVSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CC(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000358383467 276228245 /nfs/dbraw/zinc/22/82/45/276228245.db2.gz OXRJONIYFZOSAR-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000358383467 276228247 /nfs/dbraw/zinc/22/82/47/276228247.db2.gz OXRJONIYFZOSAR-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)C1CC[NH2+]CC1 ZINC000252425018 276249444 /nfs/dbraw/zinc/24/94/44/276249444.db2.gz KUZZEDDHXDWGSQ-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)C1CC[NH2+]CC1 ZINC000252425018 276249447 /nfs/dbraw/zinc/24/94/47/276249447.db2.gz KUZZEDDHXDWGSQ-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CCCO[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346840555 276267436 /nfs/dbraw/zinc/26/74/36/276267436.db2.gz GIECPDOAIMYGSL-GJZGRUSLSA-N 2 1 254.418 2.267 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000104287889 276364962 /nfs/dbraw/zinc/36/49/62/276364962.db2.gz IEYPCNLINCNVAI-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCOCC2)[C@H](C)C1 ZINC000174775200 276394043 /nfs/dbraw/zinc/39/40/43/276394043.db2.gz OUEIKHHWGVMISB-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCOCC2)[C@H](C)C1 ZINC000174775200 276394044 /nfs/dbraw/zinc/39/40/44/276394044.db2.gz OUEIKHHWGVMISB-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCOCC2)[C@H](C)C1 ZINC000174775200 276394045 /nfs/dbraw/zinc/39/40/45/276394045.db2.gz OUEIKHHWGVMISB-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CCSCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000365568924 276394929 /nfs/dbraw/zinc/39/49/29/276394929.db2.gz HEGXNZKEGYHISF-RDBSUJKOSA-N 2 1 254.443 2.156 20 0 CEADMP CCSCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365568924 276394931 /nfs/dbraw/zinc/39/49/31/276394931.db2.gz HEGXNZKEGYHISF-RDBSUJKOSA-N 2 1 254.443 2.156 20 0 CEADMP CCSCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365568924 276394932 /nfs/dbraw/zinc/39/49/32/276394932.db2.gz HEGXNZKEGYHISF-RDBSUJKOSA-N 2 1 254.443 2.156 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3cccnc3CC2)CC1 ZINC000335257404 277023579 /nfs/dbraw/zinc/02/35/79/277023579.db2.gz HUZBKODQRLDQPS-INIZCTEOSA-N 2 1 271.408 2.181 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000149414680 277031408 /nfs/dbraw/zinc/03/14/08/277031408.db2.gz NAMXIFLKHNAOAR-OAHLLOKOSA-N 2 1 264.800 2.491 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@]2(C1)CCCOC2 ZINC000341990053 277044782 /nfs/dbraw/zinc/04/47/82/277044782.db2.gz LKNNJWJHHZIXOT-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341990053 277044783 /nfs/dbraw/zinc/04/47/83/277044783.db2.gz LKNNJWJHHZIXOT-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000341990053 277044784 /nfs/dbraw/zinc/04/47/84/277044784.db2.gz LKNNJWJHHZIXOT-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@]2(CCOC2)C1 ZINC000334822204 277045902 /nfs/dbraw/zinc/04/59/02/277045902.db2.gz VMVNNGCYMGTOPP-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000334822204 277045903 /nfs/dbraw/zinc/04/59/03/277045903.db2.gz VMVNNGCYMGTOPP-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000334822204 277045905 /nfs/dbraw/zinc/04/59/05/277045905.db2.gz VMVNNGCYMGTOPP-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000351178275 277045947 /nfs/dbraw/zinc/04/59/47/277045947.db2.gz AAEJKOOPDLPVEW-GJZGRUSLSA-N 2 1 276.428 2.464 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000351178275 277045950 /nfs/dbraw/zinc/04/59/50/277045950.db2.gz AAEJKOOPDLPVEW-GJZGRUSLSA-N 2 1 276.428 2.464 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000351178275 277045951 /nfs/dbraw/zinc/04/59/51/277045951.db2.gz AAEJKOOPDLPVEW-GJZGRUSLSA-N 2 1 276.428 2.464 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC2)[C@H]1c1ccccc1 ZINC000364024103 277163327 /nfs/dbraw/zinc/16/33/27/277163327.db2.gz UUPHIKQBFDJHCK-OWCLPIDISA-N 2 1 260.381 2.058 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)CO)[C@H]2CCC[C@@H]21 ZINC000367615814 277170499 /nfs/dbraw/zinc/17/04/99/277170499.db2.gz MGKJPKQSEARGDU-ILXRZTDVSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000367526933 277172661 /nfs/dbraw/zinc/17/26/61/277172661.db2.gz KUHAMNHIOGGYHE-VSZNYVQBSA-N 2 1 288.435 2.052 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000347084356 277275747 /nfs/dbraw/zinc/27/57/47/277275747.db2.gz BZJREUZDMGFEJM-AWEZNQCLSA-N 2 1 272.396 2.074 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)nc3ccccn32)C1 ZINC000347084356 277275748 /nfs/dbraw/zinc/27/57/48/277275748.db2.gz BZJREUZDMGFEJM-AWEZNQCLSA-N 2 1 272.396 2.074 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000308337394 277312082 /nfs/dbraw/zinc/31/20/82/277312082.db2.gz FBHARHCJDPIIDI-LSDHHAIUSA-N 2 1 264.413 2.160 20 0 CEADMP CC(C)=CC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378436524 277324582 /nfs/dbraw/zinc/32/45/82/277324582.db2.gz ZVABXNJQTMEYGB-INIZCTEOSA-N 2 1 265.445 2.053 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000247123682 277332741 /nfs/dbraw/zinc/33/27/41/277332741.db2.gz RGQJKTOYRVWJMT-VNQPRFMTSA-N 2 1 262.397 2.446 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CCO1 ZINC000352611426 278011852 /nfs/dbraw/zinc/01/18/52/278011852.db2.gz HNGUFLKKRSDFKU-LVQVYYBASA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CCO1 ZINC000352611426 278011854 /nfs/dbraw/zinc/01/18/54/278011854.db2.gz HNGUFLKKRSDFKU-LVQVYYBASA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CCO1 ZINC000352611426 278011857 /nfs/dbraw/zinc/01/18/57/278011857.db2.gz HNGUFLKKRSDFKU-LVQVYYBASA-N 2 1 266.429 2.218 20 0 CEADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000193131266 278324693 /nfs/dbraw/zinc/32/46/93/278324693.db2.gz JRHNBOHGNQPKQE-HOTGVXAUSA-N 2 1 281.488 2.428 20 0 CEADMP CC(C)(C)N1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401028589 278342114 /nfs/dbraw/zinc/34/21/14/278342114.db2.gz ONKWFWILBQUPLN-IJEWVQPXSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)[C@H]1CCC[NH2+]1 ZINC000331988606 278371501 /nfs/dbraw/zinc/37/15/01/278371501.db2.gz UMKPNIITKCSREW-HFBAOOFYSA-N 2 1 259.397 2.376 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000302164334 278853936 /nfs/dbraw/zinc/85/39/36/278853936.db2.gz NKXQJTRCJFPCEX-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[N@@H+](C)CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250486266 279360164 /nfs/dbraw/zinc/36/01/64/279360164.db2.gz FCJGMHMZNGSWEK-ARFHVFGLSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414825043 279367740 /nfs/dbraw/zinc/36/77/40/279367740.db2.gz RUUXYDWSLNVXHL-WCVJEAGWSA-N 3 1 267.461 2.275 20 0 CEADMP C[C@H]1[N@@H+](CC[C@H]2CCC[NH+]2C)CCC12CCOCC2 ZINC000335998130 280037895 /nfs/dbraw/zinc/03/78/95/280037895.db2.gz NHGRLSURBJLPKV-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]1[NH+](CC[C@H]2CCC[N@@H+]2C)CCC12CCOCC2 ZINC000335998130 280037898 /nfs/dbraw/zinc/03/78/98/280037898.db2.gz NHGRLSURBJLPKV-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]1[NH+](CC[C@H]2CCC[N@H+]2C)CCC12CCOCC2 ZINC000335998130 280037902 /nfs/dbraw/zinc/03/79/02/280037902.db2.gz NHGRLSURBJLPKV-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP CC[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1)[NH+](C)C ZINC000247945213 280075356 /nfs/dbraw/zinc/07/53/56/280075356.db2.gz HHALLJQRKAAPDU-GJZGRUSLSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCS1 ZINC000250779035 280158758 /nfs/dbraw/zinc/15/87/58/280158758.db2.gz BOPYRIMCXMKTKZ-HZSPNIEDSA-N 2 1 254.443 2.489 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)NC2CCCC2)C1 ZINC000245418588 280238736 /nfs/dbraw/zinc/23/87/36/280238736.db2.gz GQCUCSCJPVETLK-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCOC(=O)CCCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000245434691 280239796 /nfs/dbraw/zinc/23/97/96/280239796.db2.gz PXUNYJWIDWHOAG-GJZGRUSLSA-N 2 1 284.444 2.382 20 0 CEADMP CCOC(=O)CCCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245434691 280239799 /nfs/dbraw/zinc/23/97/99/280239799.db2.gz PXUNYJWIDWHOAG-GJZGRUSLSA-N 2 1 284.444 2.382 20 0 CEADMP CCOC(=O)CCCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245434691 280239803 /nfs/dbraw/zinc/23/98/03/280239803.db2.gz PXUNYJWIDWHOAG-GJZGRUSLSA-N 2 1 284.444 2.382 20 0 CEADMP Cc1c([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)cnn1C ZINC000360776905 280254197 /nfs/dbraw/zinc/25/41/97/280254197.db2.gz HXAPZUNZPANSSI-ZBFHGGJFSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1c([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cnn1C ZINC000360776905 280254198 /nfs/dbraw/zinc/25/41/98/280254198.db2.gz HXAPZUNZPANSSI-ZBFHGGJFSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1c([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)cnn1C ZINC000360776905 280254199 /nfs/dbraw/zinc/25/41/99/280254199.db2.gz HXAPZUNZPANSSI-ZBFHGGJFSA-N 2 1 276.428 2.350 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCCO2)[C@@H](C)C1 ZINC000246465488 280295626 /nfs/dbraw/zinc/29/56/26/280295626.db2.gz GLBLNWGZPKWMCL-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCCO2)[C@@H](C)C1 ZINC000246465488 280295630 /nfs/dbraw/zinc/29/56/30/280295630.db2.gz GLBLNWGZPKWMCL-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCCO2)[C@@H](C)C1 ZINC000246465488 280295633 /nfs/dbraw/zinc/29/56/33/280295633.db2.gz GLBLNWGZPKWMCL-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)C1CC1 ZINC000246832285 280311267 /nfs/dbraw/zinc/31/12/67/280311267.db2.gz ODZSGXPVDLGNAT-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000246832285 280311268 /nfs/dbraw/zinc/31/12/68/280311268.db2.gz ODZSGXPVDLGNAT-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000246832285 280311269 /nfs/dbraw/zinc/31/12/69/280311269.db2.gz ODZSGXPVDLGNAT-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCn2ccnc2C)[C@@H](C)C1 ZINC000248183215 280343110 /nfs/dbraw/zinc/34/31/10/280343110.db2.gz WUQLDARMBJGLLQ-GOEBONIOSA-N 2 1 278.444 2.292 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000248183215 280343111 /nfs/dbraw/zinc/34/31/11/280343111.db2.gz WUQLDARMBJGLLQ-GOEBONIOSA-N 3 1 278.444 2.292 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000248183215 280343112 /nfs/dbraw/zinc/34/31/12/280343112.db2.gz WUQLDARMBJGLLQ-GOEBONIOSA-N 3 1 278.444 2.292 20 0 CEADMP CCCOc1ncccc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422973652 280981114 /nfs/dbraw/zinc/98/11/14/280981114.db2.gz PENZGSXIPXXKCX-ZFWWWQNUSA-N 2 1 277.412 2.348 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C)C(C)C ZINC000422989636 280984921 /nfs/dbraw/zinc/98/49/21/280984921.db2.gz AYORRKFFAUWNCI-CVEARBPZSA-N 3 1 269.477 2.473 20 0 CEADMP CCC(CC)(C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C(=O)OC ZINC000423031446 281001963 /nfs/dbraw/zinc/00/19/63/281001963.db2.gz DJBXNYOSVVNXSL-STQMWFEESA-N 2 1 270.417 2.086 20 0 CEADMP C[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)C1C[NH2+]C1 ZINC000423036907 281003736 /nfs/dbraw/zinc/00/37/36/281003736.db2.gz AVLSJAXKOYGOIU-CQSZACIVSA-N 2 1 273.424 2.374 20 0 CEADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423054434 281013053 /nfs/dbraw/zinc/01/30/53/281013053.db2.gz UKJKIVFOGKJPJW-KBXIAJHMSA-N 2 1 254.418 2.310 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000423162628 281020698 /nfs/dbraw/zinc/02/06/98/281020698.db2.gz UHNOUUBSMQTRST-RKDXNWHRSA-N 2 1 261.291 2.316 20 0 CEADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000423380250 281026474 /nfs/dbraw/zinc/02/64/74/281026474.db2.gz NMIGSQUKDROCQF-RWMBFGLXSA-N 2 1 278.396 2.495 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423402474 281028802 /nfs/dbraw/zinc/02/88/02/281028802.db2.gz XRWSASZYMHISKW-PGOFDVKTSA-N 2 1 282.428 2.229 20 0 CEADMP CSc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000423419567 281036818 /nfs/dbraw/zinc/03/68/18/281036818.db2.gz BBMIRYQTHAVZHO-GJTWSCIVSA-N 2 1 266.385 2.416 20 0 CEADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423446377 281044923 /nfs/dbraw/zinc/04/49/23/281044923.db2.gz YRMBBDIZSFJHPM-CTASWTNQSA-N 2 1 258.365 2.016 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000423446857 281045001 /nfs/dbraw/zinc/04/50/01/281045001.db2.gz ZFZDLLKSDKAOKU-DTDBQYNISA-N 2 1 287.451 2.192 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c2ccccc21 ZINC000423464012 281047640 /nfs/dbraw/zinc/04/76/40/281047640.db2.gz LSGIECMKJJNLTC-APHBMKBZSA-N 2 1 290.407 2.495 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000423496456 281056112 /nfs/dbraw/zinc/05/61/12/281056112.db2.gz DWVWXYVFORNIQO-XKQJLSEDSA-N 2 1 275.440 2.179 20 0 CEADMP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423723333 281082730 /nfs/dbraw/zinc/08/27/30/281082730.db2.gz FHEDUPASVOIYJO-FZKCQIBNSA-N 2 1 295.471 2.224 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000424264439 281140715 /nfs/dbraw/zinc/14/07/15/281140715.db2.gz IKLQXTXUDJDITA-ZUJMUWTESA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000424264439 281140718 /nfs/dbraw/zinc/14/07/18/281140718.db2.gz IKLQXTXUDJDITA-ZUJMUWTESA-N 2 1 282.428 2.038 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424274784 281141647 /nfs/dbraw/zinc/14/16/47/281141647.db2.gz ACKZDLVPINXVTC-HOCLYGCPSA-N 2 1 293.430 2.142 20 0 CEADMP CN(C[C@@H](C[NH3+])c1ccc(F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000424277989 281143149 /nfs/dbraw/zinc/14/31/49/281143149.db2.gz COEKNCLWRWIPTJ-GOEBONIOSA-N 2 1 293.430 2.142 20 0 CEADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C[C@H]2C1 ZINC000424351867 281152023 /nfs/dbraw/zinc/15/20/23/281152023.db2.gz PLFZKHGCRDBKRE-TZYAQLOTSA-N 2 1 278.440 2.405 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424375468 281153138 /nfs/dbraw/zinc/15/31/38/281153138.db2.gz JVYKDCKLNJEVBL-CYBMUJFWSA-N 2 1 282.428 2.040 20 0 CEADMP COc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1O ZINC000424389029 281155801 /nfs/dbraw/zinc/15/58/01/281155801.db2.gz ZVJNUXRJJYCCTP-ZDUSSCGKSA-N 2 1 290.407 2.365 20 0 CEADMP C[C@H]1C[C@H]1[N@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C[C@@H](C)C1 ZINC000429003995 281214935 /nfs/dbraw/zinc/21/49/35/281214935.db2.gz ZCBYVRJINSTOJU-LTIDMASMSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@H]1C[C@H]1[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H](C)C1 ZINC000429003995 281214940 /nfs/dbraw/zinc/21/49/40/281214940.db2.gz ZCBYVRJINSTOJU-LTIDMASMSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@H]1C[C@H]1[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@@H](C)C1 ZINC000429003995 281214941 /nfs/dbraw/zinc/21/49/41/281214941.db2.gz ZCBYVRJINSTOJU-LTIDMASMSA-N 2 1 279.472 2.133 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430926735 281281192 /nfs/dbraw/zinc/28/11/92/281281192.db2.gz GYCIKZPXKLWRSJ-GFCCVEGCSA-N 2 1 295.814 2.210 20 0 CEADMP Cc1ccccc1N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000335688943 281347316 /nfs/dbraw/zinc/34/73/16/281347316.db2.gz RCFCEGVJVPQUKQ-MRXNPFEDSA-N 2 1 273.424 2.117 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CC[NH2+]CC2)o1 ZINC000435373599 281385856 /nfs/dbraw/zinc/38/58/56/281385856.db2.gz FJSBZMDOKJJBPB-UHFFFAOYSA-N 2 1 274.368 2.162 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2CC[NH2+]CC2)o1 ZINC000435373599 281385858 /nfs/dbraw/zinc/38/58/58/281385858.db2.gz FJSBZMDOKJJBPB-UHFFFAOYSA-N 2 1 274.368 2.162 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435383352 281386838 /nfs/dbraw/zinc/38/68/38/281386838.db2.gz HOOAELONZNRJQU-INIZCTEOSA-N 2 1 290.407 2.437 20 0 CEADMP COc1ccsc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435440091 281390158 /nfs/dbraw/zinc/39/01/58/281390158.db2.gz ZGNRTWXCLVGHBU-LLVKDONJSA-N 2 1 254.399 2.331 20 0 CEADMP COc1ccsc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435440091 281390160 /nfs/dbraw/zinc/39/01/60/281390160.db2.gz ZGNRTWXCLVGHBU-LLVKDONJSA-N 2 1 254.399 2.331 20 0 CEADMP CCOc1cccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)n1 ZINC000435438574 281390214 /nfs/dbraw/zinc/39/02/14/281390214.db2.gz QHADPBFACYJAEQ-AWEZNQCLSA-N 2 1 263.385 2.054 20 0 CEADMP CCOc1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)n1 ZINC000435438574 281390216 /nfs/dbraw/zinc/39/02/16/281390216.db2.gz QHADPBFACYJAEQ-AWEZNQCLSA-N 2 1 263.385 2.054 20 0 CEADMP CCC(C)(C)[C@@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414714647 282035046 /nfs/dbraw/zinc/03/50/46/282035046.db2.gz XTFLMAFRGNMCIT-CABCVRRESA-N 2 1 295.471 2.084 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000155978372 289187055 /nfs/dbraw/zinc/18/70/55/289187055.db2.gz JRSPRPWVJGJLRH-HRCADAONSA-N 2 1 297.487 2.343 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000155978372 289187056 /nfs/dbraw/zinc/18/70/56/289187056.db2.gz JRSPRPWVJGJLRH-HRCADAONSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2(O)CCC(C)(C)CC2)CC[N@H+]1C ZINC000156117826 289189814 /nfs/dbraw/zinc/18/98/14/289189814.db2.gz XKJRNZZFKPWQNP-ZIAGYGMSSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H](Cc1ccccc1F)[NH2+]CCc1c[nH+]cn1C ZINC000401707695 289288433 /nfs/dbraw/zinc/28/84/33/289288433.db2.gz FRNUEFNLQKSMHX-LBPRGKRZSA-N 2 1 261.344 2.323 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000401770991 289288442 /nfs/dbraw/zinc/28/84/42/289288442.db2.gz OICCDNFVTIILAQ-HNNXBMFYSA-N 2 1 255.365 2.110 20 0 CEADMP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCc2c[nH+]cn2C)C1 ZINC000459380714 290132724 /nfs/dbraw/zinc/13/27/24/290132724.db2.gz QSIXHJYCTGYOKG-CZUORRHYSA-N 2 1 279.428 2.130 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]1SC ZINC000459399117 290136863 /nfs/dbraw/zinc/13/68/63/290136863.db2.gz YLAAKKNDCUGLHG-GZBLMMOJSA-N 2 1 284.469 2.112 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC2CC[NH+](C3CC3)CC2)C1 ZINC000459424682 290144327 /nfs/dbraw/zinc/14/43/27/290144327.db2.gz JHUSKTAWNRYBSV-HNNXBMFYSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000459424682 290144330 /nfs/dbraw/zinc/14/43/30/290144330.db2.gz JHUSKTAWNRYBSV-HNNXBMFYSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000459424682 290144331 /nfs/dbraw/zinc/14/43/31/290144331.db2.gz JHUSKTAWNRYBSV-HNNXBMFYSA-N 2 1 279.472 2.323 20 0 CEADMP c1c(CC[NH2+]C2CC[NH+](C3CC3)CC2)nc2ccccn12 ZINC000459444798 290150411 /nfs/dbraw/zinc/15/04/11/290150411.db2.gz AXAMWORDSZWJJP-UHFFFAOYSA-N 2 1 284.407 2.093 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC1CC[NH+](C2CC2)CC1 ZINC000459464161 290156826 /nfs/dbraw/zinc/15/68/26/290156826.db2.gz IDFJBIMZILYYPM-CABCVRRESA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cnn(C)c1 ZINC000459601764 290192075 /nfs/dbraw/zinc/19/20/75/290192075.db2.gz ZFJYLFCMKHREIB-INIZCTEOSA-N 2 1 278.444 2.362 20 0 CEADMP CC(C)C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cnn(C)c1 ZINC000459601764 290192077 /nfs/dbraw/zinc/19/20/77/290192077.db2.gz ZFJYLFCMKHREIB-INIZCTEOSA-N 2 1 278.444 2.362 20 0 CEADMP CC(C)C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cnn(C)c1 ZINC000459601764 290192078 /nfs/dbraw/zinc/19/20/78/290192078.db2.gz ZFJYLFCMKHREIB-INIZCTEOSA-N 2 1 278.444 2.362 20 0 CEADMP CC(C)C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cnn(C)c1 ZINC000459601764 290192080 /nfs/dbraw/zinc/19/20/80/290192080.db2.gz ZFJYLFCMKHREIB-INIZCTEOSA-N 2 1 278.444 2.362 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000459730591 290220146 /nfs/dbraw/zinc/22/01/46/290220146.db2.gz DWVYZPPXACNYPF-QXSJWSMHSA-N 2 1 278.440 2.266 20 0 CEADMP CCN(C)c1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000459735091 290221367 /nfs/dbraw/zinc/22/13/67/290221367.db2.gz HOEHDBGSEHOHMC-HNNXBMFYSA-N 2 1 290.455 2.359 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459739657 290222758 /nfs/dbraw/zinc/22/27/58/290222758.db2.gz TWBHCQUKOGXTBC-AWEZNQCLSA-N 2 1 292.471 2.366 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000459744804 290224750 /nfs/dbraw/zinc/22/47/50/290224750.db2.gz XWXVJOYOOFQPSW-LXTVHRRPSA-N 2 1 266.429 2.121 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC(O)(CC)CC)[C@H](C)C1 ZINC000471761648 290281945 /nfs/dbraw/zinc/28/19/45/290281945.db2.gz UVFHOUXWTRECPH-KGLIPLIRSA-N 2 1 256.434 2.248 20 0 CEADMP CCCCNC(=O)C[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000482133641 290313550 /nfs/dbraw/zinc/31/35/50/290313550.db2.gz DFQKHJFCRVOEQC-HOTGVXAUSA-N 2 1 297.487 2.393 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C/C=C\c2ccncc2)C1 ZINC000486989413 290326889 /nfs/dbraw/zinc/32/68/89/290326889.db2.gz MBLLOHJIAHWZHU-QGZUEGPWSA-N 2 1 259.397 2.416 20 0 CEADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1CC1(C)C ZINC000487329652 290342990 /nfs/dbraw/zinc/34/29/90/290342990.db2.gz YNAMNRQHSAIBJD-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@@H]1CCSC1)CC[NH2+]CC2 ZINC000335545189 290363621 /nfs/dbraw/zinc/36/36/21/290363621.db2.gz XSQXEYLAOWWVIA-STQMWFEESA-N 2 1 254.443 2.204 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CC[C@@H]1CCCO1)CC[NH2+]CC2 ZINC000335281799 290363883 /nfs/dbraw/zinc/36/38/83/290363883.db2.gz YLHCYVIXFKTDPN-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488412560 290396457 /nfs/dbraw/zinc/39/64/57/290396457.db2.gz OOKUBQUJZWNPCV-LSDHHAIUSA-N 2 1 286.485 2.217 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000246570800 297357521 /nfs/dbraw/zinc/35/75/21/297357521.db2.gz UYPBISAFCMXQJZ-OWCLPIDISA-N 2 1 295.471 2.003 20 0 CEADMP C[NH2+]C1CC[NH+](C[C@@H](Cc2ccc(F)cc2)OC)CC1 ZINC000530211507 298051073 /nfs/dbraw/zinc/05/10/73/298051073.db2.gz NVBFNWDYWZGKOU-MRXNPFEDSA-N 2 1 280.387 2.067 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H](Cc2ccc(F)cc2)OC)CC[C@H]1[NH3+] ZINC000530217949 298053874 /nfs/dbraw/zinc/05/38/74/298053874.db2.gz JNZVPTQOHKEKAE-DJIMGWMZSA-N 2 1 294.414 2.442 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H](Cc2ccc(F)cc2)OC)CC[C@@H]1[NH3+] ZINC000530217953 298053928 /nfs/dbraw/zinc/05/39/28/298053928.db2.gz JNZVPTQOHKEKAE-OIISXLGYSA-N 2 1 294.414 2.442 20 0 CEADMP Cn1cc2ccc(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])cc2n1 ZINC000530218731 298054311 /nfs/dbraw/zinc/05/43/11/298054311.db2.gz NDGHRFVUDAVDNT-GJZGRUSLSA-N 2 1 272.396 2.323 20 0 CEADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000530219224 298054426 /nfs/dbraw/zinc/05/44/26/298054426.db2.gz OQNWSZZNWHHGPS-HOTGVXAUSA-N 2 1 280.387 2.054 20 0 CEADMP C[NH2+]CCC[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000530220724 298055168 /nfs/dbraw/zinc/05/51/68/298055168.db2.gz CIUXOZVHQSPQNX-UHFFFAOYSA-N 2 1 266.360 2.278 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000530221016 298055354 /nfs/dbraw/zinc/05/53/54/298055354.db2.gz VUCUGVAUFQJLSO-NVXWUHKLSA-N 2 1 294.414 2.444 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2(O)CCCC2)CC1 ZINC000533332107 298162174 /nfs/dbraw/zinc/16/21/74/298162174.db2.gz NACGKQJDGXMYQW-UHFFFAOYSA-N 2 1 268.445 2.344 20 0 CEADMP c1nc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2[nH]1 ZINC000537616352 298215646 /nfs/dbraw/zinc/21/56/46/298215646.db2.gz OKEJNVWCGCWORC-OAHLLOKOSA-N 2 1 284.407 2.481 20 0 CEADMP c1nc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc2[nH]1 ZINC000537616352 298215648 /nfs/dbraw/zinc/21/56/48/298215648.db2.gz OKEJNVWCGCWORC-OAHLLOKOSA-N 2 1 284.407 2.481 20 0 CEADMP c1nc2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2[nH]1 ZINC000537616352 298215651 /nfs/dbraw/zinc/21/56/51/298215651.db2.gz OKEJNVWCGCWORC-OAHLLOKOSA-N 2 1 284.407 2.481 20 0 CEADMP c1nc2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2[nH]1 ZINC000537616352 298215655 /nfs/dbraw/zinc/21/56/55/298215655.db2.gz OKEJNVWCGCWORC-OAHLLOKOSA-N 2 1 284.407 2.481 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000537863272 298220793 /nfs/dbraw/zinc/22/07/93/298220793.db2.gz DRJRKJYGQNBHOR-INIZCTEOSA-N 2 1 265.445 2.029 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000539849362 298258351 /nfs/dbraw/zinc/25/83/51/298258351.db2.gz SOFIVKRBUCOJHJ-AWEZNQCLSA-N 2 1 272.396 2.337 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000539849362 298258355 /nfs/dbraw/zinc/25/83/55/298258355.db2.gz SOFIVKRBUCOJHJ-AWEZNQCLSA-N 2 1 272.396 2.337 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000539849362 298258358 /nfs/dbraw/zinc/25/83/58/298258358.db2.gz SOFIVKRBUCOJHJ-AWEZNQCLSA-N 2 1 272.396 2.337 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000539849362 298258360 /nfs/dbraw/zinc/25/83/60/298258360.db2.gz SOFIVKRBUCOJHJ-AWEZNQCLSA-N 2 1 272.396 2.337 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000542560614 298293822 /nfs/dbraw/zinc/29/38/22/298293822.db2.gz HQOYYSNLXCOKAA-HZPDHXFCSA-N 2 1 295.471 2.275 20 0 CEADMP CCC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000558722131 298602361 /nfs/dbraw/zinc/60/23/61/298602361.db2.gz YZWJJZDWSMDMIE-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000558722128 298602573 /nfs/dbraw/zinc/60/25/73/298602573.db2.gz YZWJJZDWSMDMIE-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1nc(CNCCC[N@@H+]2CCCC[C@@H]2C)[nH]c1C ZINC000566984668 299034070 /nfs/dbraw/zinc/03/40/70/299034070.db2.gz PEJSINGFSRCGLM-LBPRGKRZSA-N 2 1 264.417 2.381 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nccn2CCc2ccccc2)C1 ZINC000567291233 299050158 /nfs/dbraw/zinc/05/01/58/299050158.db2.gz VBAFUOHNFAFQQE-DLBZAZTESA-N 2 1 298.434 2.485 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000352534391 303389518 /nfs/dbraw/zinc/38/95/18/303389518.db2.gz GBQGKDAWGHXQOU-MRXNPFEDSA-N 2 1 288.439 2.385 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000515305871 313067176 /nfs/dbraw/zinc/06/71/76/313067176.db2.gz KCVBDQQGGJUYCK-HIFRSBDPSA-N 2 1 256.434 2.105 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(CO)ccc1F)CC[NH2+]CC2 ZINC000530224863 313285225 /nfs/dbraw/zinc/28/52/25/313285225.db2.gz MZINHEBUWJHYHX-CYBMUJFWSA-N 2 1 292.398 2.282 20 0 CEADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000530227259 313285918 /nfs/dbraw/zinc/28/59/18/313285918.db2.gz WRVJCOUDPKGXIX-JYJNAYRXSA-N 2 1 287.407 2.063 20 0 CEADMP c1cc(CCC[NH2+][C@H]2CC[NH2+]C23CCC3)cc2c1OCC2 ZINC000530245303 313288224 /nfs/dbraw/zinc/28/82/24/313288224.db2.gz VZCULWNJMMYXFW-KRWDZBQOSA-N 2 1 286.419 2.428 20 0 CEADMP Cc1n[nH]cc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535082918 313387714 /nfs/dbraw/zinc/38/77/14/313387714.db2.gz FXNQIWWIKYDAKJ-UHFFFAOYSA-N 2 1 264.417 2.270 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000567160386 313887589 /nfs/dbraw/zinc/88/75/89/313887589.db2.gz FMNYWXYKFLAXRL-BBRMVZONSA-N 2 1 279.428 2.358 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC12CCOCC2)C1CCCC1 ZINC000568380889 313948409 /nfs/dbraw/zinc/94/84/09/313948409.db2.gz CSAXFFIQJZYLSN-UONOGXRCSA-N 2 1 252.402 2.053 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000569603589 314003194 /nfs/dbraw/zinc/00/31/94/314003194.db2.gz SMQFRWYXRLWRCC-OAHLLOKOSA-N 2 1 275.396 2.219 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000571053395 314070440 /nfs/dbraw/zinc/07/04/40/314070440.db2.gz JPKHGXQNLDVITJ-KRWDZBQOSA-N 3 1 273.424 2.036 20 0 CEADMP [NH3+]CC[C@@H]1CCCCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000571053395 314070444 /nfs/dbraw/zinc/07/04/44/314070444.db2.gz JPKHGXQNLDVITJ-KRWDZBQOSA-N 2 1 273.424 2.036 20 0 CEADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C[NH+](C)C)C1 ZINC000573336528 314153142 /nfs/dbraw/zinc/15/31/42/314153142.db2.gz SRAXQTQMSAIKOB-CYBMUJFWSA-N 2 1 275.396 2.029 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C1CC[NH+](C)CC1 ZINC000573953498 314186844 /nfs/dbraw/zinc/18/68/44/314186844.db2.gz ASPQLVMFTUMPSN-UHFFFAOYSA-N 2 1 293.386 2.147 20 0 CEADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000576487947 314281626 /nfs/dbraw/zinc/28/16/26/314281626.db2.gz GLKHDOZICMXSMH-AHIWAGSCSA-N 2 1 286.423 2.472 20 0 CEADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000576576570 314289590 /nfs/dbraw/zinc/28/95/90/314289590.db2.gz GWKXLWPQEMXTND-RDJZCZTQSA-N 2 1 276.424 2.052 20 0 CEADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000576576570 314289592 /nfs/dbraw/zinc/28/95/92/314289592.db2.gz GWKXLWPQEMXTND-RDJZCZTQSA-N 2 1 276.424 2.052 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000576696084 314301803 /nfs/dbraw/zinc/30/18/03/314301803.db2.gz CNYGVHPHGMSLTQ-ZWKOTPCHSA-N 2 1 290.451 2.158 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)CC1(C)CC1 ZINC000576742247 314306557 /nfs/dbraw/zinc/30/65/57/314306557.db2.gz FVEIZBDTVUHISW-OAHLLOKOSA-N 2 1 267.461 2.134 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000577214355 314353218 /nfs/dbraw/zinc/35/32/18/314353218.db2.gz DYZYSARMJHWLBY-LBPRGKRZSA-N 2 1 293.411 2.304 20 0 CEADMP C[N@@H+]1CC[C@H]2CC[NH+](CC3Cc4ccccc4C3)[C@@H]2C1 ZINC000577431779 314376351 /nfs/dbraw/zinc/37/63/51/314376351.db2.gz BRYSCNORURLQSS-MAUKXSAKSA-N 2 1 270.420 2.427 20 0 CEADMP C[N@H+]1CC[C@H]2CC[NH+](CC3Cc4ccccc4C3)[C@@H]2C1 ZINC000577431779 314376353 /nfs/dbraw/zinc/37/63/53/314376353.db2.gz BRYSCNORURLQSS-MAUKXSAKSA-N 2 1 270.420 2.427 20 0 CEADMP C[NH+]1CC[C@H]2CC[N@H+](CC3Cc4ccccc4C3)[C@@H]2C1 ZINC000577431779 314376356 /nfs/dbraw/zinc/37/63/56/314376356.db2.gz BRYSCNORURLQSS-MAUKXSAKSA-N 2 1 270.420 2.427 20 0 CEADMP C[NH+]1CC[C@H]2CC[N@@H+](CC3Cc4ccccc4C3)[C@@H]2C1 ZINC000577431779 314376359 /nfs/dbraw/zinc/37/63/59/314376359.db2.gz BRYSCNORURLQSS-MAUKXSAKSA-N 2 1 270.420 2.427 20 0 CEADMP CCOC1(C)CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000579254695 314567446 /nfs/dbraw/zinc/56/74/46/314567446.db2.gz RZLKTNYNVBUROH-UHFFFAOYSA-N 2 1 265.401 2.244 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1nccn1C ZINC000183020747 321706775 /nfs/dbraw/zinc/70/67/75/321706775.db2.gz VFKNMXWZOMBEAQ-GFCCVEGCSA-N 2 1 261.373 2.056 20 0 CEADMP C[C@H](CC[NH2+][C@H](C)c1ccnn1C)[NH+]1CCCCC1 ZINC000193281275 321800916 /nfs/dbraw/zinc/80/09/16/321800916.db2.gz JOOOMIPYPDXFMD-ZIAGYGMSSA-N 2 1 264.417 2.335 20 0 CEADMP C[C@@H]([NH2+]CCCOCC(F)(F)F)c1c[nH+]ccc1N ZINC000580421355 322316176 /nfs/dbraw/zinc/31/61/76/322316176.db2.gz QIWPKYAWWVCOCR-SECBINFHSA-N 2 1 277.290 2.114 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CS1 ZINC000580510718 322322053 /nfs/dbraw/zinc/32/20/53/322322053.db2.gz RCRUFKLUNDPPKQ-MCIONIFRSA-N 2 1 256.459 2.448 20 0 CEADMP [NH3+]CCC1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000580574556 322328164 /nfs/dbraw/zinc/32/81/64/322328164.db2.gz APBBPAAZDMPRBD-UHFFFAOYSA-N 2 1 278.400 2.288 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C[C@@H]1C[NH3+] ZINC000580880700 322351133 /nfs/dbraw/zinc/35/11/33/322351133.db2.gz CHNMZFMWTDYQEN-PWSUYJOCSA-N 2 1 265.426 2.437 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C[C@@H]1C[NH3+] ZINC000580880700 322351135 /nfs/dbraw/zinc/35/11/35/322351135.db2.gz CHNMZFMWTDYQEN-PWSUYJOCSA-N 2 1 265.426 2.437 20 0 CEADMP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000581201316 322377941 /nfs/dbraw/zinc/37/79/41/322377941.db2.gz YFGCVZYPSSKMEG-AGIUHOORSA-N 2 1 277.416 2.096 20 0 CEADMP COc1ccc2c(c1)CCC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000581360637 322389928 /nfs/dbraw/zinc/38/99/28/322389928.db2.gz QYYGXZRQUVBVLX-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP C[NH+](C)CCCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000584300260 327230148 /nfs/dbraw/zinc/23/01/48/327230148.db2.gz LXJKWCLIZUOJLJ-CQSZACIVSA-N 2 1 297.830 2.011 20 0 CEADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000155641230 521948482 /nfs/dbraw/zinc/94/84/82/521948482.db2.gz KLLJFXQTJNEJEC-KKUMJFAQSA-N 2 1 283.460 2.131 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414695309 534095568 /nfs/dbraw/zinc/09/55/68/534095568.db2.gz FHLZNSSAJUOBGP-HIFRSBDPSA-N 2 1 290.407 2.293 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000278649408 520253150 /nfs/dbraw/zinc/25/31/50/520253150.db2.gz PSKQZECIHYWDBT-GOSISDBHSA-N 2 1 289.467 2.392 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(CC[NH+](C)Cc2ccccc2)C1 ZINC000278649408 520253139 /nfs/dbraw/zinc/25/31/39/520253139.db2.gz PSKQZECIHYWDBT-GOSISDBHSA-N 2 1 289.467 2.392 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(CC[N@@H+](C)Cc2ccccc2)C1 ZINC000278649408 520253159 /nfs/dbraw/zinc/25/31/59/520253159.db2.gz PSKQZECIHYWDBT-GOSISDBHSA-N 2 1 289.467 2.392 20 0 CEADMP CCCC[C@H](COC)[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000364599594 521199112 /nfs/dbraw/zinc/19/91/12/521199112.db2.gz AJPBSLWWCLKEPS-UONOGXRCSA-N 2 1 265.401 2.240 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[NH+](C(C)C)CC2)c1C ZINC000067226737 521813478 /nfs/dbraw/zinc/81/34/78/521813478.db2.gz ZHLLMHDMQUDZGD-UHFFFAOYSA-N 2 1 277.412 2.233 20 0 CEADMP Cn1cncc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367883496 523503268 /nfs/dbraw/zinc/50/32/68/523503268.db2.gz BZBYMPDNXZKTNY-UHFFFAOYSA-N 2 1 299.422 2.164 20 0 CEADMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1CCC[NH+]1CCCC1 ZINC000363448416 524683096 /nfs/dbraw/zinc/68/30/96/524683096.db2.gz FZHDWXICALMSHS-HOTGVXAUSA-N 2 1 265.445 2.031 20 0 CEADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cnn1C ZINC000156013959 525921682 /nfs/dbraw/zinc/92/16/82/525921682.db2.gz QTPFEYDUCKMTFI-IACUBPJLSA-N 2 1 262.401 2.006 20 0 CEADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cnn1C ZINC000156013959 525921691 /nfs/dbraw/zinc/92/16/91/525921691.db2.gz QTPFEYDUCKMTFI-IACUBPJLSA-N 2 1 262.401 2.006 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414802691 527256641 /nfs/dbraw/zinc/25/66/41/527256641.db2.gz LFQVEAGARAAEIB-HNNXBMFYSA-N 2 1 278.396 2.071 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000365192281 527404867 /nfs/dbraw/zinc/40/48/67/527404867.db2.gz PSGFDUKWKXGPCY-CABCVRRESA-N 2 1 263.385 2.129 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cncs2)[C@H](C)C1 ZINC000411397110 527756892 /nfs/dbraw/zinc/75/68/92/527756892.db2.gz YBYDUDCQKJKEGU-TZMCWYRMSA-N 2 1 267.442 2.348 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cncs2)[C@H](C)C1 ZINC000411397110 527756896 /nfs/dbraw/zinc/75/68/96/527756896.db2.gz YBYDUDCQKJKEGU-TZMCWYRMSA-N 2 1 267.442 2.348 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cncs2)[C@H](C)C1 ZINC000411397110 527756904 /nfs/dbraw/zinc/75/69/04/527756904.db2.gz YBYDUDCQKJKEGU-TZMCWYRMSA-N 2 1 267.442 2.348 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000415047241 527792826 /nfs/dbraw/zinc/79/28/26/527792826.db2.gz VWUQIEFMPRYZIR-INIZCTEOSA-N 2 1 274.408 2.284 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000418207995 527983199 /nfs/dbraw/zinc/98/31/99/527983199.db2.gz VIIBERGIRJJYEP-KFWWJZLASA-N 2 1 298.475 2.018 20 0 CEADMP CCCC[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000156168947 528462171 /nfs/dbraw/zinc/46/21/71/528462171.db2.gz LOPJQHPWVAZMOR-ZBFHGGJFSA-N 2 1 267.461 2.323 20 0 CEADMP CC[N@@H+](CCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411226903 528554874 /nfs/dbraw/zinc/55/48/74/528554874.db2.gz PVSIHTOWWXWERW-UHFFFAOYSA-N 2 1 276.424 2.487 20 0 CEADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000414932402 528779752 /nfs/dbraw/zinc/77/97/52/528779752.db2.gz RAMXRUOWPRNYAI-TUVASFSCSA-N 2 1 254.418 2.025 20 0 CEADMP CC[C@@H](C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1)[NH+](C)C ZINC000354888046 529282493 /nfs/dbraw/zinc/28/24/93/529282493.db2.gz RKJRCITVJAPXBL-HNNXBMFYSA-N 2 1 295.471 2.121 20 0 CEADMP Cc1ccc(C)c(C[N@H+](C)C[C@H](O)C[NH+]2CCCC2)c1 ZINC000759632665 574516623 /nfs/dbraw/zinc/51/66/23/574516623.db2.gz SBYZKOPJXWUPQJ-KRWDZBQOSA-N 2 1 276.424 2.192 20 0 CEADMP Cc1ccc(C)c(C[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)c1 ZINC000759632665 574516624 /nfs/dbraw/zinc/51/66/24/574516624.db2.gz SBYZKOPJXWUPQJ-KRWDZBQOSA-N 2 1 276.424 2.192 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000732272684 574616820 /nfs/dbraw/zinc/61/68/20/574616820.db2.gz MKKFWEDBTZIDJB-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000732272684 574616821 /nfs/dbraw/zinc/61/68/21/574616821.db2.gz MKKFWEDBTZIDJB-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000732272684 574616822 /nfs/dbraw/zinc/61/68/22/574616822.db2.gz MKKFWEDBTZIDJB-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000732412297 574621230 /nfs/dbraw/zinc/62/12/30/574621230.db2.gz GQGVZADBTWEVMJ-INIZCTEOSA-N 2 1 280.456 2.489 20 0 CEADMP C[N@H+](C[C@H]1CC1(Cl)Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000741386952 574983980 /nfs/dbraw/zinc/98/39/80/574983980.db2.gz NUBGPTLWFQAOBL-GHMZBOCLSA-N 2 1 265.228 2.454 20 0 CEADMP C[N@@H+](C[C@H]1CC1(Cl)Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000741386952 574983982 /nfs/dbraw/zinc/98/39/82/574983982.db2.gz NUBGPTLWFQAOBL-GHMZBOCLSA-N 2 1 265.228 2.454 20 0 CEADMP C[NH+](C[C@H]1CC1(Cl)Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000741386952 574983984 /nfs/dbraw/zinc/98/39/84/574983984.db2.gz NUBGPTLWFQAOBL-GHMZBOCLSA-N 2 1 265.228 2.454 20 0 CEADMP C[NH+](C[C@H]1CC1(Cl)Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741386952 574983986 /nfs/dbraw/zinc/98/39/86/574983986.db2.gz NUBGPTLWFQAOBL-GHMZBOCLSA-N 2 1 265.228 2.454 20 0 CEADMP OCCCCCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000743851169 575110848 /nfs/dbraw/zinc/11/08/48/575110848.db2.gz MQQAXTOKAFDVJK-INIZCTEOSA-N 2 1 268.445 2.347 20 0 CEADMP CCC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000746652451 575162033 /nfs/dbraw/zinc/16/20/33/575162033.db2.gz NHUCYRWXRBUCRO-QGZVFWFLSA-N 2 1 294.414 2.494 20 0 CEADMP CCC[N@H+](Cc1ccc(F)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000746652451 575162034 /nfs/dbraw/zinc/16/20/34/575162034.db2.gz NHUCYRWXRBUCRO-QGZVFWFLSA-N 2 1 294.414 2.494 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@]3(C)Br)CC[C@H]21 ZINC000895843213 630366449 /nfs/dbraw/zinc/36/64/49/630366449.db2.gz NXPFFDBCHVMGPF-XQHKEYJVSA-N 2 1 287.245 2.186 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@]3(C)Br)CC[C@H]21 ZINC000895843213 630366451 /nfs/dbraw/zinc/36/64/51/630366451.db2.gz NXPFFDBCHVMGPF-XQHKEYJVSA-N 2 1 287.245 2.186 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3C[C@]3(C)Br)CC[C@H]21 ZINC000895843213 630366456 /nfs/dbraw/zinc/36/64/56/630366456.db2.gz NXPFFDBCHVMGPF-XQHKEYJVSA-N 2 1 287.245 2.186 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3C[C@]3(C)Br)CC[C@H]21 ZINC000895843213 630366459 /nfs/dbraw/zinc/36/64/59/630366459.db2.gz NXPFFDBCHVMGPF-XQHKEYJVSA-N 2 1 287.245 2.186 20 0 CEADMP CC(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC000971719622 614068622 /nfs/dbraw/zinc/06/86/22/614068622.db2.gz KTGSLQAQGUXLBS-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000971719622 614068624 /nfs/dbraw/zinc/06/86/24/614068624.db2.gz KTGSLQAQGUXLBS-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000971719622 614068625 /nfs/dbraw/zinc/06/86/25/614068625.db2.gz KTGSLQAQGUXLBS-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972074093 614072421 /nfs/dbraw/zinc/07/24/21/614072421.db2.gz WSPJEAPPCHZQIW-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000961029329 614265015 /nfs/dbraw/zinc/26/50/15/614265015.db2.gz VNGRGYDKEQWWCO-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975045484 614401688 /nfs/dbraw/zinc/40/16/88/614401688.db2.gz AUEYATTTZJODKQ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975045484 614401689 /nfs/dbraw/zinc/40/16/89/614401689.db2.gz AUEYATTTZJODKQ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975045484 614401692 /nfs/dbraw/zinc/40/16/92/614401692.db2.gz AUEYATTTZJODKQ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970528612 614606390 /nfs/dbraw/zinc/60/63/90/614606390.db2.gz HKRZRAAHMGADCY-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)C(C)C ZINC000960662591 614660100 /nfs/dbraw/zinc/66/01/00/614660100.db2.gz CFTUVZWQYPZJGP-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)C(C)C ZINC000960662591 614660101 /nfs/dbraw/zinc/66/01/01/614660101.db2.gz CFTUVZWQYPZJGP-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)C(C)C ZINC000960662591 614660105 /nfs/dbraw/zinc/66/01/05/614660105.db2.gz CFTUVZWQYPZJGP-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC000972156554 614667917 /nfs/dbraw/zinc/66/79/17/614667917.db2.gz NWFBJFZARASEME-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000972156554 614667918 /nfs/dbraw/zinc/66/79/18/614667918.db2.gz NWFBJFZARASEME-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972156554 614667921 /nfs/dbraw/zinc/66/79/21/614667921.db2.gz NWFBJFZARASEME-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942558664 614746044 /nfs/dbraw/zinc/74/60/44/614746044.db2.gz ZNAXWGUMMYUWQI-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CC)C1 ZINC000972704150 614980037 /nfs/dbraw/zinc/98/00/37/614980037.db2.gz OBTBWLUAQVSRDY-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC000972704150 614980039 /nfs/dbraw/zinc/98/00/39/614980039.db2.gz OBTBWLUAQVSRDY-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC000972704150 614980040 /nfs/dbraw/zinc/98/00/40/614980040.db2.gz OBTBWLUAQVSRDY-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC ZINC000969156634 615114150 /nfs/dbraw/zinc/11/41/50/615114150.db2.gz YONCZAHLVFJPIM-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC ZINC000969156634 615114151 /nfs/dbraw/zinc/11/41/51/615114151.db2.gz YONCZAHLVFJPIM-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC ZINC000969156634 615114152 /nfs/dbraw/zinc/11/41/52/615114152.db2.gz YONCZAHLVFJPIM-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP COc1cccc([C@H](CN[C@H]2CCC[C@@H]2C[NH3+])[NH+](C)C)c1 ZINC000089147117 625286310 /nfs/dbraw/zinc/28/63/10/625286310.db2.gz SHKLYSGNFFIPOY-PVAVHDDUSA-N 2 1 291.439 2.015 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309800952 625318840 /nfs/dbraw/zinc/31/88/40/625318840.db2.gz JXKLIUPTZOJYRW-IRXDYDNUSA-N 2 1 276.424 2.259 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C(C)C)C1 ZINC001024278968 625496744 /nfs/dbraw/zinc/49/67/44/625496744.db2.gz WGYOFADJAHXNND-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCn1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)c(C)n1 ZINC000892460213 625521138 /nfs/dbraw/zinc/52/11/38/625521138.db2.gz OPHNCIZJBZKPLS-UHFFFAOYSA-N 2 1 278.444 2.423 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(O)c(F)c3)CC[C@@H]21 ZINC000234368012 622555938 /nfs/dbraw/zinc/55/59/38/622555938.db2.gz VFZGYCWIEWSRCW-ZFWWWQNUSA-N 2 1 278.371 2.447 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(O)c(F)c3)CC[C@@H]21 ZINC000234368012 622555940 /nfs/dbraw/zinc/55/59/40/622555940.db2.gz VFZGYCWIEWSRCW-ZFWWWQNUSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(O)c(F)c3)CC[C@@H]21 ZINC000234368012 622555944 /nfs/dbraw/zinc/55/59/44/622555944.db2.gz VFZGYCWIEWSRCW-ZFWWWQNUSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(O)c(F)c3)CC[C@@H]21 ZINC000234368012 622555946 /nfs/dbraw/zinc/55/59/46/622555946.db2.gz VFZGYCWIEWSRCW-ZFWWWQNUSA-N 2 1 278.371 2.447 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC000804779036 622961236 /nfs/dbraw/zinc/96/12/36/622961236.db2.gz OUOYIOZEFMPPDP-INIZCTEOSA-N 2 1 295.471 2.243 20 0 CEADMP CC(C)[NH+](CC[NH2+]C1CCC2(CC1)OCCO2)C(C)C ZINC000084523737 623262285 /nfs/dbraw/zinc/26/22/85/623262285.db2.gz ZSZBRUPDBKUCJM-UHFFFAOYSA-N 2 1 284.444 2.381 20 0 CEADMP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123921181 623553304 /nfs/dbraw/zinc/55/33/04/623553304.db2.gz DPAFHISLJIYHCB-CJNGLKHVSA-N 2 1 274.408 2.332 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C12CCC2 ZINC000308384599 623675312 /nfs/dbraw/zinc/67/53/12/623675312.db2.gz ZHTLEGICICDQSJ-ZIAGYGMSSA-N 2 1 254.418 2.264 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC([NH3+])(CC)CC1 ZINC000891904220 624085187 /nfs/dbraw/zinc/08/51/87/624085187.db2.gz IUCLDYFWHJBGSH-CQSZACIVSA-N 2 1 298.475 2.020 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC([NH3+])(CC)CC1 ZINC000891909823 624091110 /nfs/dbraw/zinc/09/11/10/624091110.db2.gz MKJLKNVTHDTHMC-AWEZNQCLSA-N 2 1 298.475 2.020 20 0 CEADMP C[N@H+](Cc1cccc2[nH]c(=O)oc21)CC1CC[NH+](C)CC1 ZINC000891933155 624114622 /nfs/dbraw/zinc/11/46/22/624114622.db2.gz DDUWPOJFVDHNTM-UHFFFAOYSA-N 2 1 289.379 2.307 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNc2nc(N)cc(C)[nH+]2)c1 ZINC000891965631 624199644 /nfs/dbraw/zinc/19/96/44/624199644.db2.gz RDBVEUYZIROWQU-UHFFFAOYSA-N 2 1 285.395 2.431 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@]2(C)Br)C1 ZINC000892032929 624263232 /nfs/dbraw/zinc/26/32/32/624263232.db2.gz AKHDNZRTIQLYBQ-QJPTWQEYSA-N 2 1 275.234 2.043 20 0 CEADMP COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000262161704 624639961 /nfs/dbraw/zinc/63/99/61/624639961.db2.gz SSUQDDRVILUZPW-JTQLQIEISA-N 2 1 254.761 2.129 20 0 CEADMP COc1ccc(Cl)c(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000262161704 624639962 /nfs/dbraw/zinc/63/99/62/624639962.db2.gz SSUQDDRVILUZPW-JTQLQIEISA-N 2 1 254.761 2.129 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2CCCO)CC1 ZINC000924571785 625929098 /nfs/dbraw/zinc/92/90/98/625929098.db2.gz WFOPBYAWBYZAFD-GDBMZVCRSA-N 2 1 268.445 2.392 20 0 CEADMP Cc1cc(NC(=O)CC[NH2+]C(C)(C)C)cn2cc[nH+]c12 ZINC000820592663 634465011 /nfs/dbraw/zinc/46/50/11/634465011.db2.gz NRBCEPVPOLZNNH-UHFFFAOYSA-N 2 1 274.368 2.359 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1F ZINC000820597450 634467847 /nfs/dbraw/zinc/46/78/47/634467847.db2.gz UEEVSGZOVVLCDK-LBPRGKRZSA-N 2 1 293.386 2.168 20 0 CEADMP CCNc1ccccc1CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000902200540 634521753 /nfs/dbraw/zinc/52/17/53/634521753.db2.gz FYZGRKXMMVYYRQ-CVEARBPZSA-N 2 1 289.423 2.071 20 0 CEADMP CC[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820811107 634537047 /nfs/dbraw/zinc/53/70/47/634537047.db2.gz KZKCJPOJNGGQPQ-YPRXJGMQSA-N 2 1 252.402 2.159 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)[C@H]1OC ZINC000892583320 627290100 /nfs/dbraw/zinc/29/01/00/627290100.db2.gz CDAPQRZZYMTXIK-YLFCFFPRSA-N 2 1 298.471 2.281 20 0 CEADMP CC[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)[NH+]1CCCC1 ZINC000161273657 627302796 /nfs/dbraw/zinc/30/27/96/627302796.db2.gz DWKDAVJCYAIACL-HNNXBMFYSA-N 2 1 282.428 2.136 20 0 CEADMP c1cn2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)sc2n1 ZINC000892606368 627305536 /nfs/dbraw/zinc/30/55/36/627305536.db2.gz AGLOHCYZJAHZAJ-VXGBXAGGSA-N 2 1 276.409 2.112 20 0 CEADMP c1cn2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)sc2n1 ZINC000892606368 627305541 /nfs/dbraw/zinc/30/55/41/627305541.db2.gz AGLOHCYZJAHZAJ-VXGBXAGGSA-N 2 1 276.409 2.112 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]C(C)C ZINC001025168675 627365929 /nfs/dbraw/zinc/36/59/29/627365929.db2.gz SPMSFSQXCMZUMD-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCc1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)on1 ZINC000902328760 634590278 /nfs/dbraw/zinc/59/02/78/634590278.db2.gz NATRDTNXOXJMEH-GFCCVEGCSA-N 2 1 251.374 2.105 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CC[C@H](OC)C2)C1 ZINC000851790409 627719797 /nfs/dbraw/zinc/71/97/97/627719797.db2.gz KIVYRPWQPCYRGB-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2C2CC2)C1 ZINC000892744685 627745323 /nfs/dbraw/zinc/74/53/23/627745323.db2.gz CUILGBYMCVTDRC-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2C2CC2)C1 ZINC000892744685 627745326 /nfs/dbraw/zinc/74/53/26/627745326.db2.gz CUILGBYMCVTDRC-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000902352282 634609642 /nfs/dbraw/zinc/60/96/42/634609642.db2.gz KAJROKFBUNDTIF-STQMWFEESA-N 2 1 262.401 2.155 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000902352282 634609644 /nfs/dbraw/zinc/60/96/44/634609644.db2.gz KAJROKFBUNDTIF-STQMWFEESA-N 2 1 262.401 2.155 20 0 CEADMP CNc1cc(N[C@@H]2CN(C)Cc3ccccc32)ncn1 ZINC000892995040 627928597 /nfs/dbraw/zinc/92/85/97/627928597.db2.gz ODIUFUJLNJMVMC-CYBMUJFWSA-N 2 1 269.352 2.117 20 0 CEADMP CCn1cc(C[NH2+]CCCCn2cc[nH+]c2C)c(C)n1 ZINC000893031336 627956482 /nfs/dbraw/zinc/95/64/82/627956482.db2.gz WAEVVMMQNRKBCS-UHFFFAOYSA-N 2 1 275.400 2.286 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](CO)c2ccc(F)cc2)C1 ZINC000902361897 634617085 /nfs/dbraw/zinc/61/70/85/634617085.db2.gz NSVYQXGCEVBYSX-LSDHHAIUSA-N 2 1 280.387 2.227 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH2+]C12CCC2 ZINC000925512149 628043907 /nfs/dbraw/zinc/04/39/07/628043907.db2.gz ABNPABXTTZKYNN-GJZGRUSLSA-N 2 1 265.445 2.125 20 0 CEADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000925518656 628067926 /nfs/dbraw/zinc/06/79/26/628067926.db2.gz JSRJBMYTDVVDOY-HUUCEWRRSA-N 3 1 267.461 2.358 20 0 CEADMP CCc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)on1 ZINC000925519868 628069962 /nfs/dbraw/zinc/06/99/62/628069962.db2.gz DFANOUFOGOUFHZ-ZYHUDNBSSA-N 2 1 251.374 2.233 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)CC[S@@](C)=O)CC1 ZINC000925522101 628079178 /nfs/dbraw/zinc/07/91/78/628079178.db2.gz QZTQSPZGIAQFPJ-IFXJQAMLSA-N 2 1 288.501 2.244 20 0 CEADMP C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902400326 634637421 /nfs/dbraw/zinc/63/74/21/634637421.db2.gz QBNKAHHVPCQLOP-JKSUJKDBSA-N 2 1 281.488 2.475 20 0 CEADMP CSc1ccccc1C[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902403679 634639237 /nfs/dbraw/zinc/63/92/37/634639237.db2.gz AMOPQCPIFNLXFM-NSHDSACASA-N 2 1 250.411 2.420 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925558729 628224735 /nfs/dbraw/zinc/22/47/35/628224735.db2.gz QUDJBILBXOIDCI-QKPAOTATSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@H]([NH3+])[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000925561042 628229528 /nfs/dbraw/zinc/22/95/28/628229528.db2.gz IJQMVKJHTROOAF-SVGFKBNWSA-N 2 1 273.424 2.291 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1C ZINC000893302520 628275869 /nfs/dbraw/zinc/27/58/69/628275869.db2.gz FQVQMQQZTDHECU-UHFFFAOYSA-N 2 1 288.391 2.133 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC000893309756 628288825 /nfs/dbraw/zinc/28/88/25/628288825.db2.gz HTEUCHCMBBAPBG-SFHVURJKSA-N 2 1 288.435 2.272 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000893310939 628289404 /nfs/dbraw/zinc/28/94/04/628289404.db2.gz UNEVNJCYEZNEND-GJZGRUSLSA-N 2 1 268.445 2.057 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925616200 628301480 /nfs/dbraw/zinc/30/14/80/628301480.db2.gz KXDKJZBMNSXPIW-HZPDHXFCSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925617166 628304158 /nfs/dbraw/zinc/30/41/58/628304158.db2.gz VPHLYOYEQVOTRP-VOAKCMCISA-N 2 1 268.426 2.290 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccccc1 ZINC000925627517 628321571 /nfs/dbraw/zinc/32/15/71/628321571.db2.gz BESBZMXDDKMHLD-BBWFWOEESA-N 2 1 285.435 2.306 20 0 CEADMP COc1ccc(OC)c(CCC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925629027 628324156 /nfs/dbraw/zinc/32/41/56/628324156.db2.gz JWRASUVNQRZLSX-CZUORRHYSA-N 2 1 292.423 2.367 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1c[nH+]ccc1N ZINC000902428471 634649112 /nfs/dbraw/zinc/64/91/12/634649112.db2.gz DCCPICXMAIICDY-WBIUFABUSA-N 2 1 261.369 2.102 20 0 CEADMP C[C@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000925631796 628325838 /nfs/dbraw/zinc/32/58/38/628325838.db2.gz KMHKAZFRHWPMIA-HDEZJCGLSA-N 2 1 291.483 2.499 20 0 CEADMP CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001026519779 628346821 /nfs/dbraw/zinc/34/68/21/628346821.db2.gz VEZFAMFQIDFZGH-GPANFISMSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001026549619 628355818 /nfs/dbraw/zinc/35/58/18/628355818.db2.gz ZBNBGXJGTZIMER-FXQLRMTLSA-N 2 1 295.471 2.142 20 0 CEADMP CC[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001026569767 628362330 /nfs/dbraw/zinc/36/23/30/628362330.db2.gz HDFAPXBFPRVCPX-UHFFFAOYSA-N 2 1 292.427 2.043 20 0 CEADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C2 ZINC000925668657 628386911 /nfs/dbraw/zinc/38/69/11/628386911.db2.gz JIYVZIZRWICLGE-QLFBSQMISA-N 2 1 288.439 2.025 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])[C@@H]2CCC[C@@H]21 ZINC000902436189 634656679 /nfs/dbraw/zinc/65/66/79/634656679.db2.gz XVUIJUDVPYZQQT-IECFSIQFSA-N 2 1 285.435 2.074 20 0 CEADMP COc1c(C)cccc1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925701784 628541018 /nfs/dbraw/zinc/54/10/18/628541018.db2.gz FMYSLJZNGRDOHY-KBPBESRZSA-N 2 1 260.381 2.363 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000925706053 628552487 /nfs/dbraw/zinc/55/24/87/628552487.db2.gz DVUTZYLNEYELRZ-QSPRXWTASA-N 2 1 274.408 2.289 20 0 CEADMP FCCn1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000902446595 634669132 /nfs/dbraw/zinc/66/91/32/634669132.db2.gz PJQJCQMPGQWNQK-HOTGVXAUSA-N 2 1 294.418 2.111 20 0 CEADMP COCCOC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488479 628649140 /nfs/dbraw/zinc/64/91/40/628649140.db2.gz RJMIXEIWTAPORB-HRCADAONSA-N 2 1 298.471 2.281 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000253192095 628652156 /nfs/dbraw/zinc/65/21/56/628652156.db2.gz MUZCPZOOVSZWNF-TZMCWYRMSA-N 2 1 278.396 2.121 20 0 CEADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902448684 634672185 /nfs/dbraw/zinc/67/21/85/634672185.db2.gz GVUWSNSRQKXSOO-LRDDRELGSA-N 2 1 286.423 2.472 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902451003 634673422 /nfs/dbraw/zinc/67/34/22/634673422.db2.gz VNMFVUBXYYSLOZ-HYVNUMGLSA-N 2 1 287.451 2.095 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCc3cccnc3)CC[C@H]21 ZINC000931546526 628687559 /nfs/dbraw/zinc/68/75/59/628687559.db2.gz LLBIFEZDNFERBX-HZPDHXFCSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCc3cccnc3)CC[C@H]21 ZINC000931546526 628687563 /nfs/dbraw/zinc/68/75/63/628687563.db2.gz LLBIFEZDNFERBX-HZPDHXFCSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCc3cccnc3)CC[C@H]21 ZINC000931546526 628687565 /nfs/dbraw/zinc/68/75/65/628687565.db2.gz LLBIFEZDNFERBX-HZPDHXFCSA-N 2 1 259.397 2.040 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)O1)[C@H]1CCCC[NH2+]1 ZINC000902459032 634679650 /nfs/dbraw/zinc/67/96/50/634679650.db2.gz AQSAPENGVNXTKL-MGPQQGTHSA-N 2 1 254.418 2.454 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)[C@H]1CCCC[NH2+]1 ZINC000925773217 628782025 /nfs/dbraw/zinc/78/20/25/628782025.db2.gz MNKBKUONPAPRSQ-MGPQQGTHSA-N 2 1 252.402 2.066 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)[C@H]1CCCC[NH2+]1 ZINC000925773212 628782174 /nfs/dbraw/zinc/78/21/74/628782174.db2.gz MNKBKUONPAPRSQ-BFHYXJOUSA-N 2 1 252.402 2.066 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(C)C ZINC000902466961 634684715 /nfs/dbraw/zinc/68/47/15/634684715.db2.gz JUCBUNCZMBHHOZ-MQLXINIDSA-N 2 1 252.402 2.061 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000094368096 628813093 /nfs/dbraw/zinc/81/30/93/628813093.db2.gz RHMUGOBCFNSMAM-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]([NH2+]CCc1ccnn1-c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000925805930 628856875 /nfs/dbraw/zinc/85/68/75/628856875.db2.gz XARCKLCKFLEINT-YOEHRIQHSA-N 2 1 284.407 2.145 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000925880732 628980267 /nfs/dbraw/zinc/98/02/67/628980267.db2.gz NZBAFHXDDLLABC-CVEARBPZSA-N 2 1 274.408 2.421 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902486647 634702668 /nfs/dbraw/zinc/70/26/68/634702668.db2.gz RIOFZKQVBTXFQU-DKIMLUQUSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000902486647 634702674 /nfs/dbraw/zinc/70/26/74/634702674.db2.gz RIOFZKQVBTXFQU-DKIMLUQUSA-N 2 1 287.451 2.224 20 0 CEADMP CC(C)CCCC[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000894253132 629261928 /nfs/dbraw/zinc/26/19/28/629261928.db2.gz GMMITIFDIIIAMD-UHFFFAOYSA-N 2 1 269.477 2.428 20 0 CEADMP CC(C)n1nccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261835872 629265955 /nfs/dbraw/zinc/26/59/55/629265955.db2.gz JKVHNBHKMISALZ-QEJZJMRPSA-N 2 1 262.401 2.023 20 0 CEADMP [NH3+][C@@H]1C[N@H+](C[C@@H]2CCSC2)C[C@H]1c1ccccc1 ZINC000261941731 629361909 /nfs/dbraw/zinc/36/19/09/629361909.db2.gz MSJAGYUPNOKVFP-AEGPPILISA-N 2 1 262.422 2.166 20 0 CEADMP [NH3+][C@@H]1C[N@@H+](C[C@@H]2CCSC2)C[C@H]1c1ccccc1 ZINC000261941731 629361911 /nfs/dbraw/zinc/36/19/11/629361911.db2.gz MSJAGYUPNOKVFP-AEGPPILISA-N 2 1 262.422 2.166 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925023637 629370877 /nfs/dbraw/zinc/37/08/77/629370877.db2.gz NPGXNDDEAAFNAZ-YLFCFFPRSA-N 2 1 278.440 2.168 20 0 CEADMP C[C@H]1Cc2cc(C[N@H+](C)CCC[NH+](C)C)ccc2O1 ZINC000894450474 629468797 /nfs/dbraw/zinc/46/87/97/629468797.db2.gz VUAFVEISUOZPKY-ZDUSSCGKSA-N 2 1 262.397 2.394 20 0 CEADMP C[C@H]1Cc2cc(C[N@@H+](C)CCC[NH+](C)C)ccc2O1 ZINC000894450474 629468803 /nfs/dbraw/zinc/46/88/03/629468803.db2.gz VUAFVEISUOZPKY-ZDUSSCGKSA-N 2 1 262.397 2.394 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000894472880 629476146 /nfs/dbraw/zinc/47/61/46/629476146.db2.gz VXDVZQCFNSTTOQ-HNNXBMFYSA-N 2 1 296.455 2.382 20 0 CEADMP CSC[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000894599609 629556967 /nfs/dbraw/zinc/55/69/67/629556967.db2.gz ZUVMWSQWVSWKAB-AWEZNQCLSA-N 2 1 256.459 2.403 20 0 CEADMP CNc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000902621359 634748672 /nfs/dbraw/zinc/74/86/72/634748672.db2.gz GMEOQTIFWDLFFY-MRXNPFEDSA-N 2 1 289.423 2.071 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H](CO)CC(C)(C)C ZINC000894746248 629615546 /nfs/dbraw/zinc/61/55/46/629615546.db2.gz VTIOOPUDHOUXHY-AWEZNQCLSA-N 2 1 256.434 2.057 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894783579 629640253 /nfs/dbraw/zinc/64/02/53/629640253.db2.gz VZPQPMSYZPMHPK-ABAIWWIYSA-N 2 1 288.395 2.041 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894783579 629640255 /nfs/dbraw/zinc/64/02/55/629640255.db2.gz VZPQPMSYZPMHPK-ABAIWWIYSA-N 2 1 288.395 2.041 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894783579 629640260 /nfs/dbraw/zinc/64/02/60/629640260.db2.gz VZPQPMSYZPMHPK-ABAIWWIYSA-N 2 1 288.395 2.041 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894783579 629640262 /nfs/dbraw/zinc/64/02/62/629640262.db2.gz VZPQPMSYZPMHPK-ABAIWWIYSA-N 2 1 288.395 2.041 20 0 CEADMP COCc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262065840 629664809 /nfs/dbraw/zinc/66/48/09/629664809.db2.gz RNVKLYLMWSXYDO-UHFFFAOYSA-N 2 1 274.408 2.409 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000895089302 629880733 /nfs/dbraw/zinc/88/07/33/629880733.db2.gz YFSXNNYGCWSBGS-KRWDZBQOSA-N 2 1 274.408 2.482 20 0 CEADMP COc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)c(C)c1OC ZINC000895292070 630082288 /nfs/dbraw/zinc/08/22/88/630082288.db2.gz DICGHEBSMJHBJC-LBPRGKRZSA-N 2 1 280.412 2.442 20 0 CEADMP C[C@@H](CC[NH2+]Cc1cccc2c1CCOC2)[NH+](C)C ZINC000895290533 630083423 /nfs/dbraw/zinc/08/34/23/630083423.db2.gz KWWCMOHGOVLTPD-ZDUSSCGKSA-N 2 1 262.397 2.189 20 0 CEADMP CC1(C)COC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895360096 630138878 /nfs/dbraw/zinc/13/88/78/630138878.db2.gz NBAATCUUGWZBPC-CABCVRRESA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(CO)o1 ZINC000895380048 630150718 /nfs/dbraw/zinc/15/07/18/630150718.db2.gz XEPHYGQYUOJTOW-BBRMVZONSA-N 2 1 280.412 2.324 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(CO)o1 ZINC000895380048 630150719 /nfs/dbraw/zinc/15/07/19/630150719.db2.gz XEPHYGQYUOJTOW-BBRMVZONSA-N 2 1 280.412 2.324 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@H](CC(F)(F)F)O1 ZINC000895470529 630209244 /nfs/dbraw/zinc/20/92/44/630209244.db2.gz WIWIZWKIYRKJRQ-YPMHNXCESA-N 2 1 294.361 2.370 20 0 CEADMP Cc1ncc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)o1 ZINC000895555826 630247314 /nfs/dbraw/zinc/24/73/14/630247314.db2.gz BYPGUALIGQPPPG-LBPRGKRZSA-N 2 1 272.352 2.089 20 0 CEADMP Cc1ncc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)o1 ZINC000895555826 630247315 /nfs/dbraw/zinc/24/73/15/630247315.db2.gz BYPGUALIGQPPPG-LBPRGKRZSA-N 2 1 272.352 2.089 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cn(C)nn1 ZINC000902729606 634799049 /nfs/dbraw/zinc/79/90/49/634799049.db2.gz JQQUXDAHDQXGJM-AWEZNQCLSA-N 2 1 299.422 2.262 20 0 CEADMP C[C@H]1C[N@@H+](CCC[C@H]2CCO2)CCN1c1cc[nH+]cc1 ZINC000895557413 630248216 /nfs/dbraw/zinc/24/82/16/630248216.db2.gz PJIOSQHJDONGEV-HOCLYGCPSA-N 2 1 275.396 2.161 20 0 CEADMP CSC1(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC000895558646 630249852 /nfs/dbraw/zinc/24/98/52/630249852.db2.gz YMBTZILAKLZFTR-CYBMUJFWSA-N 2 1 277.437 2.488 20 0 CEADMP C1C[C@@H]2[C@H](O1)[C@H]1CC[C@@H]([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000902747061 634807221 /nfs/dbraw/zinc/80/72/21/634807221.db2.gz BWFJRGYWVUCGPM-HZLIJHQHSA-N 2 1 276.424 2.016 20 0 CEADMP C1C[C@@H]2[C@H](O1)[C@H]1CC[C@@H]([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000902747061 634807226 /nfs/dbraw/zinc/80/72/26/634807226.db2.gz BWFJRGYWVUCGPM-HZLIJHQHSA-N 2 1 276.424 2.016 20 0 CEADMP CN(C)Cc1cnc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)s1 ZINC000895848801 630375751 /nfs/dbraw/zinc/37/57/51/630375751.db2.gz ULXVKGNLSGBSJZ-TZMCWYRMSA-N 2 1 295.452 2.206 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902779739 634824625 /nfs/dbraw/zinc/82/46/25/634824625.db2.gz ZVRDMUQVGWLOCA-VCCANDMLSA-N 2 1 278.440 2.121 20 0 CEADMP CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896679491 630636438 /nfs/dbraw/zinc/63/64/38/630636438.db2.gz KJGPYLJQMRSTCW-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CCSCC[NH2+][C@H](CCN(C)C)c1cccnc1 ZINC000896720745 630644165 /nfs/dbraw/zinc/64/41/65/630644165.db2.gz KCPFJBOZOCMITR-CQSZACIVSA-N 2 1 267.442 2.417 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CCCOC3)C2)CC1 ZINC000798956878 630956206 /nfs/dbraw/zinc/95/62/06/630956206.db2.gz GLNMEXHDZWVOHH-OAHLLOKOSA-N 2 1 266.429 2.221 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000799175462 630991766 /nfs/dbraw/zinc/99/17/66/630991766.db2.gz ZHVOWJIKVIUNLD-MRXNPFEDSA-N 2 1 298.377 2.416 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000799175462 630991768 /nfs/dbraw/zinc/99/17/68/630991768.db2.gz ZHVOWJIKVIUNLD-MRXNPFEDSA-N 2 1 298.377 2.416 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)C1 ZINC000904317466 635564509 /nfs/dbraw/zinc/56/45/09/635564509.db2.gz YVJMRNRPSODDQL-ZOWXZIJZSA-N 2 1 280.799 2.451 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)C1 ZINC000904317466 635564513 /nfs/dbraw/zinc/56/45/13/635564513.db2.gz YVJMRNRPSODDQL-ZOWXZIJZSA-N 2 1 280.799 2.451 20 0 CEADMP CCCCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904316745 635565276 /nfs/dbraw/zinc/56/52/76/635565276.db2.gz RQNUNTCNMBOFNI-OAGGEKHMSA-N 2 1 295.471 2.132 20 0 CEADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000909598267 631094043 /nfs/dbraw/zinc/09/40/43/631094043.db2.gz OASMMDWPOAAZLU-OAHLLOKOSA-N 2 1 275.396 2.089 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2cccc3c2NCCC3)CC1 ZINC000163298901 631180057 /nfs/dbraw/zinc/18/00/57/631180057.db2.gz QKKFBRFGFSOGDU-UHFFFAOYSA-N 2 1 259.397 2.229 20 0 CEADMP C[C@H](CCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCCCC1 ZINC000897376570 631252484 /nfs/dbraw/zinc/25/24/84/631252484.db2.gz ZLKXUBKACRCLPY-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCC([NH2+]CC[C@@H]2CCC(C)(C)CO2)CC1 ZINC000897478094 631550238 /nfs/dbraw/zinc/55/02/38/631550238.db2.gz KOVSJCFPRXSBJH-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP CCc1cccc(F)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420920 635633326 /nfs/dbraw/zinc/63/33/26/635633326.db2.gz YMTFREMRXDFEMA-UONOGXRCSA-N 2 1 262.372 2.429 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)OCCC[NH+]1CCCC1 ZINC000803858632 631619029 /nfs/dbraw/zinc/61/90/29/631619029.db2.gz IHENBYMHZHDJTH-HNNXBMFYSA-N 2 1 282.428 2.280 20 0 CEADMP C[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)CO1 ZINC000251755513 631663799 /nfs/dbraw/zinc/66/37/99/631663799.db2.gz STNDJQKVJKGIPZ-UUQIVFDPSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C)cn2)C1 ZINC000808378156 631952734 /nfs/dbraw/zinc/95/27/34/631952734.db2.gz GAHHKCZEXVQJCF-CQSZACIVSA-N 2 1 264.417 2.022 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@H](CCO)C2CCCC2)s1 ZINC000897882677 631959752 /nfs/dbraw/zinc/95/97/52/631959752.db2.gz OEXAZZZYLZCUMM-CQSZACIVSA-N 2 1 297.468 2.236 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@@H]1CCC=CO1 ZINC000809738548 632135743 /nfs/dbraw/zinc/13/57/43/632135743.db2.gz YXKZSHDKOVAPDK-IRXDYDNUSA-N 2 1 295.471 2.027 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H](c3nccn3C)C2)o1 ZINC000809989461 632164643 /nfs/dbraw/zinc/16/46/43/632164643.db2.gz ABQDZAIZTIPNGF-ZDUSSCGKSA-N 2 1 274.368 2.405 20 0 CEADMP COC(C)(C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322933566 632253314 /nfs/dbraw/zinc/25/33/14/632253314.db2.gz OWXHKLARJSNJRU-FUDCBSFHSA-N 2 1 254.418 2.405 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000924645812 632386146 /nfs/dbraw/zinc/38/61/46/632386146.db2.gz ANOBWUTXGYJAFS-VLFFPSDRSA-N 2 1 299.462 2.443 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C[NH+](C)C ZINC000926963928 632391125 /nfs/dbraw/zinc/39/11/25/632391125.db2.gz VZGIOXUQQUIRGQ-LXTVHRRPSA-N 2 1 254.418 2.121 20 0 CEADMP CCO[C@@H](C[NH2+][C@H](C)Cc1ccsc1)C[NH+](C)C ZINC000926965099 632394099 /nfs/dbraw/zinc/39/40/99/632394099.db2.gz OVGOBBKJQCNLIO-OCCSQVGLSA-N 2 1 270.442 2.235 20 0 CEADMP C[C@@]1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCCO1 ZINC000927012077 632416548 /nfs/dbraw/zinc/41/65/48/632416548.db2.gz GUMDPZCMKFZJOC-IRXDYDNUSA-N 2 1 296.455 2.179 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000924704250 632438550 /nfs/dbraw/zinc/43/85/50/632438550.db2.gz CEOHPULBYRDKGS-CABCVRRESA-N 2 1 299.422 2.260 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cccc(OC)n1 ZINC000924707291 632441679 /nfs/dbraw/zinc/44/16/79/632441679.db2.gz UAKQVEJWUABGMC-KBPBESRZSA-N 2 1 277.412 2.473 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(OC)n1 ZINC000924707291 632441685 /nfs/dbraw/zinc/44/16/85/632441685.db2.gz UAKQVEJWUABGMC-KBPBESRZSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)cn1 ZINC000924725841 632469289 /nfs/dbraw/zinc/46/92/89/632469289.db2.gz ZMMXEKYSWPRJDJ-YWPYICTPSA-N 2 1 286.379 2.089 20 0 CEADMP C[NH+](C)C1(C)CCC(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000899175158 632729193 /nfs/dbraw/zinc/72/91/93/632729193.db2.gz TYUWUUNMKJAMLY-XOYHFGRZSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924752655 632741402 /nfs/dbraw/zinc/74/14/02/632741402.db2.gz OIYAMOSBCYIQLY-OLZOCXBDSA-N 2 1 263.385 2.170 20 0 CEADMP CN(CCCC[NH+]1CCCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000899230670 632746276 /nfs/dbraw/zinc/74/62/76/632746276.db2.gz OMHHYCHAUOTIDH-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP COc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)nc1 ZINC000815143663 632970808 /nfs/dbraw/zinc/97/08/08/632970808.db2.gz NFOHFVDHBINWGS-INIZCTEOSA-N 2 1 275.396 2.008 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCCCn3cccn3)C2)C1 ZINC000815144358 632971049 /nfs/dbraw/zinc/97/10/49/632971049.db2.gz GOIBQNOVFIGONJ-QGZVFWFLSA-N 2 1 290.455 2.471 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCCCn3cccn3)C2)C1 ZINC000815144358 632971050 /nfs/dbraw/zinc/97/10/50/632971050.db2.gz GOIBQNOVFIGONJ-QGZVFWFLSA-N 2 1 290.455 2.471 20 0 CEADMP CC[N@H+](Cc1nc(-c2ccc(C[NH3+])cc2F)no1)C1CC1 ZINC000817864377 633746676 /nfs/dbraw/zinc/74/66/76/633746676.db2.gz FKAOQVPICWSEDV-UHFFFAOYSA-N 2 1 290.342 2.319 20 0 CEADMP CC[N@@H+](Cc1nc(-c2ccc(C[NH3+])cc2F)no1)C1CC1 ZINC000817864377 633746681 /nfs/dbraw/zinc/74/66/81/633746681.db2.gz FKAOQVPICWSEDV-UHFFFAOYSA-N 2 1 290.342 2.319 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)c1cccc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000817910011 633768220 /nfs/dbraw/zinc/76/82/20/633768220.db2.gz HHARSJZWERJLGH-JYJNAYRXSA-N 2 1 262.397 2.149 20 0 CEADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000817911986 633769329 /nfs/dbraw/zinc/76/93/29/633769329.db2.gz DAGDVWPEPOHVKM-QBPKDAKJSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000817911986 633769332 /nfs/dbraw/zinc/76/93/32/633769332.db2.gz DAGDVWPEPOHVKM-QBPKDAKJSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cnn(-c2ccccc2)c1 ZINC000817936946 633787850 /nfs/dbraw/zinc/78/78/50/633787850.db2.gz SMKBZVAYJUGVDI-CYBMUJFWSA-N 2 1 270.380 2.275 20 0 CEADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)nn1C ZINC000817949722 633794744 /nfs/dbraw/zinc/79/47/44/633794744.db2.gz UEKJIVGSZPOMDB-ZDUSSCGKSA-N 2 1 272.396 2.081 20 0 CEADMP COCc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)ccc1OC ZINC000817964561 633806609 /nfs/dbraw/zinc/80/66/09/633806609.db2.gz CLOYCSIERNRBGI-XHDPSFHLSA-N 2 1 278.396 2.230 20 0 CEADMP C[C@H](O)c1ncc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000818431974 633920777 /nfs/dbraw/zinc/92/07/77/633920777.db2.gz YRRUUYIPMAMGQY-NEPJUHHUSA-N 2 1 295.452 2.160 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000818968373 634020982 /nfs/dbraw/zinc/02/09/82/634020982.db2.gz SAGQOZOKVROAQV-AWEZNQCLSA-N 2 1 295.333 2.183 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000818968374 634021275 /nfs/dbraw/zinc/02/12/75/634021275.db2.gz SAGQOZOKVROAQV-CQSZACIVSA-N 2 1 295.333 2.183 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2c(F)cccc2F)C1 ZINC000818981447 634028467 /nfs/dbraw/zinc/02/84/67/634028467.db2.gz UFPQRBRNZZXHBC-SWLSCSKDSA-N 2 1 298.377 2.320 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2c(F)cccc2F)C1 ZINC000818981447 634028471 /nfs/dbraw/zinc/02/84/71/634028471.db2.gz UFPQRBRNZZXHBC-SWLSCSKDSA-N 2 1 298.377 2.320 20 0 CEADMP CO[C@@H]1CCC[C@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000903121255 634980645 /nfs/dbraw/zinc/98/06/45/634980645.db2.gz PXCANKHZQDDNLJ-QKPAOTATSA-N 2 1 284.444 2.033 20 0 CEADMP COCC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000924788134 634989249 /nfs/dbraw/zinc/98/92/49/634989249.db2.gz LMCYBTAMLWTZNG-GOOCMWNKSA-N 2 1 284.469 2.113 20 0 CEADMP OCC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903154843 634991548 /nfs/dbraw/zinc/99/15/48/634991548.db2.gz VTKUTGGUXQJYKH-PPHJYPGKSA-N 2 1 278.440 2.285 20 0 CEADMP C[C@@H](CCCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903178615 635000526 /nfs/dbraw/zinc/00/05/26/635000526.db2.gz XLQAWHIUINXYLK-WYQXTGKHSA-N 2 1 266.429 2.142 20 0 CEADMP C[C@@H]1COCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903171034 635004767 /nfs/dbraw/zinc/00/47/67/635004767.db2.gz MCOODXFBOGENPS-VGWXVEKNSA-N 2 1 278.440 2.406 20 0 CEADMP OC1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903204357 635012191 /nfs/dbraw/zinc/01/21/91/635012191.db2.gz SHBQOVVMBCLRGQ-FHFCWBRESA-N 2 1 278.440 2.285 20 0 CEADMP CCO[C@@]1(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903205510 635015351 /nfs/dbraw/zinc/01/53/51/635015351.db2.gz CELLWDVGXKQAQM-HJGRSGLPSA-N 2 1 264.413 2.301 20 0 CEADMP CN1CC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000903318346 635065266 /nfs/dbraw/zinc/06/52/66/635065266.db2.gz ZNKWOZHSJWZLKM-MSOLQXFVSA-N 2 1 299.462 2.477 20 0 CEADMP CN1CC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000903318346 635065271 /nfs/dbraw/zinc/06/52/71/635065271.db2.gz ZNKWOZHSJWZLKM-MSOLQXFVSA-N 2 1 299.462 2.477 20 0 CEADMP COc1ccc2c(c1)C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC2 ZINC000903432492 635114937 /nfs/dbraw/zinc/11/49/37/635114937.db2.gz CQVGSVPYABHRID-DOMZBBRYSA-N 2 1 260.381 2.181 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)C1 ZINC000903435127 635117136 /nfs/dbraw/zinc/11/71/36/635117136.db2.gz PHVMCVRFPMCEIO-APHBMKBZSA-N 2 1 278.371 2.326 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903420597 635121704 /nfs/dbraw/zinc/12/17/04/635121704.db2.gz DNMZJUPIOSONHE-IEECTRCBSA-N 2 1 258.356 2.479 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903420597 635121708 /nfs/dbraw/zinc/12/17/08/635121708.db2.gz DNMZJUPIOSONHE-IEECTRCBSA-N 2 1 258.356 2.479 20 0 CEADMP COC[C@@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)C(C)C ZINC000903422317 635123191 /nfs/dbraw/zinc/12/31/91/635123191.db2.gz XZDPXPSIJAFHOJ-CYBMUJFWSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H](c1ccsc1)[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903457559 635124460 /nfs/dbraw/zinc/12/44/60/635124460.db2.gz WYLYBUBJEDNVBF-UKRRQHHQSA-N 2 1 279.453 2.179 20 0 CEADMP Cc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)nn1 ZINC000903459993 635125815 /nfs/dbraw/zinc/12/58/15/635125815.db2.gz SWNDISTYPNUISD-ZDUSSCGKSA-N 2 1 274.412 2.057 20 0 CEADMP CN(Cc1ccccc1)[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903444057 635130166 /nfs/dbraw/zinc/13/01/66/635130166.db2.gz OLIMKTJADVNUSH-FGTMMUONSA-N 2 1 287.451 2.320 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000903450531 635134971 /nfs/dbraw/zinc/13/49/71/635134971.db2.gz IJYCGCBUENUCBL-CWVYHPPDSA-N 2 1 294.439 2.181 20 0 CEADMP C[C@@H](c1ncccn1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000903454031 635138166 /nfs/dbraw/zinc/13/81/66/635138166.db2.gz RVQDHQHSYPXWOC-GXTWGEPZSA-N 2 1 260.385 2.002 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C(C)C ZINC000903454045 635138399 /nfs/dbraw/zinc/13/83/99/635138399.db2.gz SKASPAZPHAQGHJ-PMPSAXMXSA-N 2 1 268.445 2.227 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903476272 635145077 /nfs/dbraw/zinc/14/50/77/635145077.db2.gz SROHRPQXDCVOFS-ZSBIGDGJSA-N 2 1 258.356 2.352 20 0 CEADMP c1ccc2c(c1)CC[C@]21CC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903477855 635147186 /nfs/dbraw/zinc/14/71/86/635147186.db2.gz AHYWKVPOKSWQRP-NVXWUHKLSA-N 2 1 256.393 2.328 20 0 CEADMP c1ccc2c(c1)CC[C@]21CC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903477855 635147190 /nfs/dbraw/zinc/14/71/90/635147190.db2.gz AHYWKVPOKSWQRP-NVXWUHKLSA-N 2 1 256.393 2.328 20 0 CEADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)OC1 ZINC000903482245 635149718 /nfs/dbraw/zinc/14/97/18/635149718.db2.gz ZSWGJGNYNDNECT-ZIAGYGMSSA-N 2 1 266.429 2.456 20 0 CEADMP c1cc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc2c1OCC2 ZINC000903485052 635151590 /nfs/dbraw/zinc/15/15/90/635151590.db2.gz ZNDIKQLVQXUMAG-QGZVFWFLSA-N 2 1 286.419 2.428 20 0 CEADMP CC(C)(C)OC[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903563459 635163662 /nfs/dbraw/zinc/16/36/62/635163662.db2.gz CZGXEMLUJQUVAJ-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP Cn1nccc1[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000903566630 635164005 /nfs/dbraw/zinc/16/40/05/635164005.db2.gz WUMAJUYXPUTSBQ-CQSZACIVSA-N 2 1 250.390 2.076 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)Cc2ccccc21 ZINC000903718234 635233433 /nfs/dbraw/zinc/23/34/33/635233433.db2.gz JAJJDXNFHKFZKE-UWWQBHOKSA-N 2 1 286.419 2.374 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903718049 635233501 /nfs/dbraw/zinc/23/35/01/635233501.db2.gz YQFCNHCVYVTHLL-ZNMIVQPWSA-N 2 1 266.429 2.123 20 0 CEADMP C[N@@H+](CCOc1ccccc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903718374 635234002 /nfs/dbraw/zinc/23/40/02/635234002.db2.gz LMVKQVOLMYHRTP-OAHLLOKOSA-N 2 1 262.397 2.387 20 0 CEADMP CCC(CC)[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903721973 635235137 /nfs/dbraw/zinc/23/51/37/635235137.db2.gz GOWACYAGNDLTLK-JKSUJKDBSA-N 2 1 266.429 2.408 20 0 CEADMP c1ccc(C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903722626 635235888 /nfs/dbraw/zinc/23/58/88/635235888.db2.gz BUOLWZIAPUHEFH-ZWKOTPCHSA-N 2 1 286.419 2.420 20 0 CEADMP CC[N@@H+](CCc1cccs1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722711 635236448 /nfs/dbraw/zinc/23/64/48/635236448.db2.gz NZSYZQGYDJCNGF-GDBMZVCRSA-N 2 1 294.464 2.381 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CCc2ccccc21 ZINC000903724155 635237017 /nfs/dbraw/zinc/23/70/17/635237017.db2.gz LLAVOGRQKBRDML-RYQLBKOJSA-N 2 1 286.419 2.374 20 0 CEADMP C[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)CC1CCCCC1 ZINC000903724513 635237591 /nfs/dbraw/zinc/23/75/91/635237591.db2.gz OFGZYSDYBFLFIN-CVEARBPZSA-N 2 1 266.429 2.267 20 0 CEADMP C[N@@H+](Cc1ccc(F)cc1F)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725172 635238640 /nfs/dbraw/zinc/23/86/40/635238640.db2.gz XOOYRKXWPYFOMX-GOEBONIOSA-N 2 1 296.361 2.165 20 0 CEADMP C[N@H+](Cc1ccc(F)cc1F)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725172 635238643 /nfs/dbraw/zinc/23/86/43/635238643.db2.gz XOOYRKXWPYFOMX-GOEBONIOSA-N 2 1 296.361 2.165 20 0 CEADMP CC[C@H](C)C[N@@H+](CC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903733417 635239693 /nfs/dbraw/zinc/23/96/93/635239693.db2.gz JYCHZZVWLPNTKV-SOUVJXGZSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903732874 635243110 /nfs/dbraw/zinc/24/31/10/635243110.db2.gz HGJXMQHVHFZBKP-OWCLPIDISA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)c1ccccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000903751188 635247901 /nfs/dbraw/zinc/24/79/01/635247901.db2.gz FCHUJFHXPJVZCI-KRWDZBQOSA-N 2 1 287.451 2.290 20 0 CEADMP c1ccc([C@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)nc1 ZINC000903751515 635248959 /nfs/dbraw/zinc/24/89/59/635248959.db2.gz GBKFQUAVGNGVEL-CABCVRRESA-N 2 1 259.397 2.261 20 0 CEADMP CC[C@]1(C)CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903734491 635250198 /nfs/dbraw/zinc/25/01/98/635250198.db2.gz RNMUQJNEZKMKHJ-HUUCEWRRSA-N 2 1 266.429 2.267 20 0 CEADMP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903765924 635258225 /nfs/dbraw/zinc/25/82/25/635258225.db2.gz NACOWGHDKYLRDG-FPCVCCKLSA-N 2 1 266.429 2.266 20 0 CEADMP c1ccc(C23CC(C2)C[N@@H+]3C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903767077 635258454 /nfs/dbraw/zinc/25/84/54/635258454.db2.gz TURSCVKMQTUHOI-KNCVXQGMSA-N 2 1 298.430 2.376 20 0 CEADMP CC1CC(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000903769561 635259630 /nfs/dbraw/zinc/25/96/30/635259630.db2.gz JFTBXAPWXZCZIA-KIDURHIOSA-N 2 1 264.335 2.492 20 0 CEADMP Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903758156 635262438 /nfs/dbraw/zinc/26/24/38/635262438.db2.gz IVSINFZLKQJQFR-ZBFHGGJFSA-N 2 1 276.428 2.337 20 0 CEADMP Cn1nccc1[C@@H]1CCCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903758156 635262443 /nfs/dbraw/zinc/26/24/43/635262443.db2.gz IVSINFZLKQJQFR-ZBFHGGJFSA-N 2 1 276.428 2.337 20 0 CEADMP C[C@H]1CCC(C)(C)[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903781972 635267237 /nfs/dbraw/zinc/26/72/37/635267237.db2.gz CIBWXFQSFRZVOA-KBPBESRZSA-N 2 1 266.429 2.408 20 0 CEADMP CCOCCC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903815541 635272054 /nfs/dbraw/zinc/27/20/54/635272054.db2.gz RMWVWZXCTNIGAX-AWEZNQCLSA-N 2 1 254.418 2.397 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CC[C@H]2CCC[NH2+]C2)CCC1 ZINC000903811580 635284582 /nfs/dbraw/zinc/28/45/82/635284582.db2.gz NLPDHOIPQJFEDR-CVEARBPZSA-N 2 1 279.472 2.360 20 0 CEADMP NCC1([C@@H]2CCCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)CCC1 ZINC000903811580 635284589 /nfs/dbraw/zinc/28/45/89/635284589.db2.gz NLPDHOIPQJFEDR-CVEARBPZSA-N 2 1 279.472 2.360 20 0 CEADMP NCC1([C@@H]2CCCC[N@H+]2CC[C@H]2CCC[NH2+]C2)CCC1 ZINC000903811580 635284595 /nfs/dbraw/zinc/28/45/95/635284595.db2.gz NLPDHOIPQJFEDR-CVEARBPZSA-N 2 1 279.472 2.360 20 0 CEADMP COC(=O)CC1(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)CC1 ZINC000903811090 635285218 /nfs/dbraw/zinc/28/52/18/635285218.db2.gz JNMQRQWPOZWWPZ-CQSZACIVSA-N 2 1 294.439 2.313 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810319 635285236 /nfs/dbraw/zinc/28/52/36/635285236.db2.gz ASUTZXLTNPUQBD-MRXNPFEDSA-N 2 1 290.455 2.336 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2cnn(CCF)c2)CCC1 ZINC000903811818 635286712 /nfs/dbraw/zinc/28/67/12/635286712.db2.gz NUIHQZDJMYWKLV-HNNXBMFYSA-N 2 1 294.418 2.336 20 0 CEADMP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818420 635287829 /nfs/dbraw/zinc/28/78/29/635287829.db2.gz KUJIYBJAJJIASD-OAGGEKHMSA-N 2 1 278.440 2.267 20 0 CEADMP Cn1cc([C@H]2CSCCC[N@H+]2CCCCCC[NH3+])cn1 ZINC000903829161 635295264 /nfs/dbraw/zinc/29/52/64/635295264.db2.gz AZEKFHVAJZAVLK-OAHLLOKOSA-N 2 1 296.484 2.419 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](Cc3nccs3)C2)C1 ZINC000903832892 635296360 /nfs/dbraw/zinc/29/63/60/635296360.db2.gz SJVQYNVGEZZTMB-YNEHKIRRSA-N 2 1 265.426 2.135 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1CCC2(CCCC2)O1 ZINC000903857924 635309450 /nfs/dbraw/zinc/30/94/50/635309450.db2.gz GRLIWGKJIWJMIY-IJEWVQPXSA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1CCC2(CCCC2)O1 ZINC000903857924 635309456 /nfs/dbraw/zinc/30/94/56/635309456.db2.gz GRLIWGKJIWJMIY-IJEWVQPXSA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903864709 635314683 /nfs/dbraw/zinc/31/46/83/635314683.db2.gz VYRYVZXNDOURKO-IEECTRCBSA-N 2 1 256.340 2.091 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903864709 635314687 /nfs/dbraw/zinc/31/46/87/635314687.db2.gz VYRYVZXNDOURKO-IEECTRCBSA-N 2 1 256.340 2.091 20 0 CEADMP C(C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1)[C@@H]1CC[NH2+]C1 ZINC000903874531 635322211 /nfs/dbraw/zinc/32/22/11/635322211.db2.gz CNHJAAHTDZHSBJ-JYJNAYRXSA-N 2 1 266.429 2.125 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OCO2)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878176 635323157 /nfs/dbraw/zinc/32/31/57/635323157.db2.gz SAMPHPRWHVUZMY-GOOCMWNKSA-N 2 1 288.391 2.378 20 0 CEADMP C([C@H]1CCOC1)[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903879867 635324745 /nfs/dbraw/zinc/32/47/45/635324745.db2.gz KZJXEAQHEJMGCB-FFHGMXDLSA-N 2 1 264.413 2.018 20 0 CEADMP CCC(CC)C[N@@H+](CC)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903883784 635325991 /nfs/dbraw/zinc/32/59/91/635325991.db2.gz KCQONNUYBYSSFJ-HNNXBMFYSA-N 2 1 293.459 2.461 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000903953170 635385925 /nfs/dbraw/zinc/38/59/25/635385925.db2.gz BOUCJORECVFYNJ-KMVIYXDESA-N 2 1 264.413 2.018 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903968462 635401255 /nfs/dbraw/zinc/40/12/55/635401255.db2.gz WPBUPAUHRGLXLK-MXSMSXNCSA-N 2 1 287.451 2.267 20 0 CEADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903968462 635401257 /nfs/dbraw/zinc/40/12/57/635401257.db2.gz WPBUPAUHRGLXLK-MXSMSXNCSA-N 2 1 287.451 2.267 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@]1(C)CCC[NH2+]C1 ZINC000904303689 635554844 /nfs/dbraw/zinc/55/48/44/635554844.db2.gz CZWISLZPCZZKHN-KRWDZBQOSA-N 2 1 290.407 2.279 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@@]1(C)CCC[NH2+]C1 ZINC000904303689 635554845 /nfs/dbraw/zinc/55/48/45/635554845.db2.gz CZWISLZPCZZKHN-KRWDZBQOSA-N 2 1 290.407 2.279 20 0 CEADMP CN(C[C@H]([NH3+])CCC(C)(C)C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000904316208 635555270 /nfs/dbraw/zinc/55/52/70/635555270.db2.gz LZGJWGMDMVBSIE-HIFRSBDPSA-N 2 1 267.461 2.309 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC000904306057 635557369 /nfs/dbraw/zinc/55/73/69/635557369.db2.gz ZFBHNLHWOPTKNV-WOVMCDHWSA-N 2 1 291.414 2.071 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)C1 ZINC000904324909 635570232 /nfs/dbraw/zinc/57/02/32/635570232.db2.gz MLRJHNLXHCNDHZ-LESCRADOSA-N 2 1 288.435 2.486 20 0 CEADMP CC(C)CO[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904327244 635573873 /nfs/dbraw/zinc/57/38/73/635573873.db2.gz AGLRYEWMQHMPKY-HUUCEWRRSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000904334262 635577096 /nfs/dbraw/zinc/57/70/96/635577096.db2.gz QMPUHYCONXKUDP-KBPBESRZSA-N 3 1 255.450 2.201 20 0 CEADMP C[C@]1(C[N@@H+]2CCC[C@@H](OC(F)F)C2)CCC[NH2+]C1 ZINC000904332519 635576352 /nfs/dbraw/zinc/57/63/52/635576352.db2.gz QOHBKIVGUDTKPE-YPMHNXCESA-N 2 1 262.344 2.080 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@H](OC(F)F)C2)CCC[NH2+]C1 ZINC000904332519 635576354 /nfs/dbraw/zinc/57/63/54/635576354.db2.gz QOHBKIVGUDTKPE-YPMHNXCESA-N 2 1 262.344 2.080 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000904334262 635577101 /nfs/dbraw/zinc/57/71/01/635577101.db2.gz QMPUHYCONXKUDP-KBPBESRZSA-N 3 1 255.450 2.201 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@@H]([NH3+])CCC(C)(C)C ZINC000904341170 635578517 /nfs/dbraw/zinc/57/85/17/635578517.db2.gz JVPVGASPTAAYKI-MCIONIFRSA-N 2 1 255.450 2.164 20 0 CEADMP CC(C)(C)CC[C@@H](N)C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000904354275 635585795 /nfs/dbraw/zinc/58/57/95/635585795.db2.gz DBVVNPFTVCNZEX-RBSFLKMASA-N 2 1 269.477 2.495 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904385528 635608415 /nfs/dbraw/zinc/60/84/15/635608415.db2.gz ZXOZATAMZLWOBA-HZPDHXFCSA-N 3 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904385528 635608418 /nfs/dbraw/zinc/60/84/18/635608418.db2.gz ZXOZATAMZLWOBA-HZPDHXFCSA-N 3 1 267.461 2.073 20 0 CEADMP CCC1([NH+]2CCCCC2)CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904386149 635608429 /nfs/dbraw/zinc/60/84/29/635608429.db2.gz QOJICMIUCFIFLA-IYBDPMFKSA-N 2 1 279.472 2.454 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nccn2-c2ccccc2)CC[C@H]1C[NH3+] ZINC000904410052 635615441 /nfs/dbraw/zinc/61/54/41/635615441.db2.gz LYIJGQCZHTUHAX-CABCVRRESA-N 2 1 284.407 2.289 20 0 CEADMP C[C@H]1C[N@@H+](CC2=Cc3ccccc3OC2)CC[C@H]1C[NH3+] ZINC000904409655 635615484 /nfs/dbraw/zinc/61/54/84/635615484.db2.gz FPOKWCXLRUPUJH-BBRMVZONSA-N 2 1 272.392 2.379 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@H]1C[NH3+] ZINC000904411203 635619589 /nfs/dbraw/zinc/61/95/89/635619589.db2.gz JQIHLKVXTRMDFX-ZFWWWQNUSA-N 2 1 284.407 2.493 20 0 CEADMP Cc1csc(C[C@@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000904434049 635628262 /nfs/dbraw/zinc/62/82/62/635628262.db2.gz SWDAQFZIYDUZQM-ZFWWWQNUSA-N 2 1 279.453 2.316 20 0 CEADMP Cc1csc(C[C@H]2CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n1 ZINC000904434637 635628776 /nfs/dbraw/zinc/62/87/76/635628776.db2.gz WTTPYIZEBMJJDP-UPJWGTAASA-N 2 1 265.426 2.053 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCN1c1ccccc1 ZINC000904469626 635647232 /nfs/dbraw/zinc/64/72/32/635647232.db2.gz NZMFVKSTPKUMOG-WBVHZDCISA-N 2 1 273.424 2.197 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCN1c1ccccc1 ZINC000904469626 635647237 /nfs/dbraw/zinc/64/72/37/635647237.db2.gz NZMFVKSTPKUMOG-WBVHZDCISA-N 2 1 273.424 2.197 20 0 CEADMP CC[C@@](O)(C[NH2+]C[C@H](C)C[NH+]1CCCC1)C(F)(F)F ZINC000905055992 635803260 /nfs/dbraw/zinc/80/32/60/635803260.db2.gz VKMDEYBZWDKASP-NWDGAFQWSA-N 2 1 282.350 2.011 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@](O)(CC)C(F)(F)F)C1 ZINC000905067429 635810370 /nfs/dbraw/zinc/81/03/70/635810370.db2.gz XUUINJSAFZRBLM-NEPJUHHUSA-N 2 1 282.350 2.011 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000827318773 636292065 /nfs/dbraw/zinc/29/20/65/636292065.db2.gz JCCULIRWFPINKX-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@](O)(CC)C(F)(F)F)C[C@@H]1C ZINC000905936904 636533543 /nfs/dbraw/zinc/53/35/43/636533543.db2.gz ZGJFACFZNVFZNQ-RWMBFGLXSA-N 2 1 296.377 2.494 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)C1 ZINC000906508048 636759502 /nfs/dbraw/zinc/75/95/02/636759502.db2.gz JAEVPHFMBMLRMG-KYZUINATSA-N 2 1 265.407 2.451 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2c(Cl)ccc3cccnc32)C1 ZINC000906518365 636765719 /nfs/dbraw/zinc/76/57/19/636765719.db2.gz XIWYAAHLVQUGMF-XYPYZODXSA-N 2 1 261.756 2.468 20 0 CEADMP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000907657758 637082658 /nfs/dbraw/zinc/08/26/58/637082658.db2.gz PXMOFVYVMCVZBE-CQSZACIVSA-N 2 1 283.460 2.050 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](CCc1cccs1)CCO2 ZINC000830637092 637120047 /nfs/dbraw/zinc/12/00/47/637120047.db2.gz HWEBUECYPPMMCA-UHFFFAOYSA-N 2 1 280.437 2.087 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCCCC[NH3+])C1 ZINC000831860408 637448919 /nfs/dbraw/zinc/44/89/19/637448919.db2.gz QWPNIFNUZYNKLG-OWCLPIDISA-N 2 1 295.471 2.369 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCCCC[NH3+] ZINC000155545155 637516592 /nfs/dbraw/zinc/51/65/92/637516592.db2.gz RSNVEDYZKQQZTD-HNNXBMFYSA-N 2 1 283.460 2.276 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000832497702 637600205 /nfs/dbraw/zinc/60/02/05/637600205.db2.gz JOORPGYSJVYEOU-CABCVRRESA-N 2 1 283.460 2.003 20 0 CEADMP C([NH2+][C@H](C1CC1)C1CCCC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000834566985 637870895 /nfs/dbraw/zinc/87/08/95/637870895.db2.gz WLTSIBOXHCRQBR-ZACQAIPSSA-N 2 1 278.440 2.408 20 0 CEADMP C([NH2+][C@H](C1CC1)C1CCCC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000834566985 637870902 /nfs/dbraw/zinc/87/09/02/637870902.db2.gz WLTSIBOXHCRQBR-ZACQAIPSSA-N 2 1 278.440 2.408 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000911864665 638436773 /nfs/dbraw/zinc/43/67/73/638436773.db2.gz MMHRRTUISQBVTH-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000911864665 638436776 /nfs/dbraw/zinc/43/67/76/638436776.db2.gz MMHRRTUISQBVTH-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000911864665 638436781 /nfs/dbraw/zinc/43/67/81/638436781.db2.gz MMHRRTUISQBVTH-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]([NH3+])c1nc(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)cs1 ZINC000911846905 638442359 /nfs/dbraw/zinc/44/23/59/638442359.db2.gz PUUPBQNVYXZUIX-DTWKUNHWSA-N 2 1 290.392 2.435 20 0 CEADMP Cc1sc(C[NH3+])nc1C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000911848153 638443470 /nfs/dbraw/zinc/44/34/70/638443470.db2.gz UUCAWOIPBNWYGE-MRVPVSSYSA-N 2 1 290.392 2.182 20 0 CEADMP Cc1sc(C[NH3+])nc1C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000911848154 638443759 /nfs/dbraw/zinc/44/37/59/638443759.db2.gz UUCAWOIPBNWYGE-QMMMGPOBSA-N 2 1 290.392 2.182 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)N1CCc2ccccc21 ZINC000925485290 639437482 /nfs/dbraw/zinc/43/74/82/639437482.db2.gz AEBGYAUHGPQYKI-CJNGLKHVSA-N 2 1 273.424 2.168 20 0 CEADMP CCc1ncc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000840942540 639595570 /nfs/dbraw/zinc/59/55/70/639595570.db2.gz DAINNWVNLXYXPJ-UHFFFAOYSA-N 2 1 288.439 2.347 20 0 CEADMP Cc1noc(C)c1C[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841006950 639616119 /nfs/dbraw/zinc/61/61/19/639616119.db2.gz JCHIIQZVDHCVJX-GWCFXTLKSA-N 2 1 251.374 2.111 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841038761 639629067 /nfs/dbraw/zinc/62/90/67/639629067.db2.gz PQTDMUQNHXTDGK-FDYHWXHSSA-N 2 1 274.499 2.329 20 0 CEADMP CC[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991860248 639681044 /nfs/dbraw/zinc/68/10/44/639681044.db2.gz KEPWDPALDXSFQW-RDJZCZTQSA-N 2 1 298.390 2.081 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229261611 639688759 /nfs/dbraw/zinc/68/87/59/639688759.db2.gz HKNGQKLCNYULMF-KGLIPLIRSA-N 2 1 252.402 2.149 20 0 CEADMP Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000229622308 639711932 /nfs/dbraw/zinc/71/19/32/639711932.db2.gz RBLAKTJYAFKPNR-QWHCGFSZSA-N 2 1 264.344 2.248 20 0 CEADMP Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000229622308 639711941 /nfs/dbraw/zinc/71/19/41/639711941.db2.gz RBLAKTJYAFKPNR-QWHCGFSZSA-N 2 1 264.344 2.248 20 0 CEADMP C[N@H+]1CCN(C[C@]2(C)CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000062861672 639789225 /nfs/dbraw/zinc/78/92/25/639789225.db2.gz RVHKUDLAMBKIOS-QZTJIDSGSA-N 2 1 287.451 2.365 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015108758 640013613 /nfs/dbraw/zinc/01/36/13/640013613.db2.gz CYOOYQMLIGCDQS-HNNXBMFYSA-N 2 1 298.390 2.105 20 0 CEADMP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCCCCCC[NH3+] ZINC000842476935 640076652 /nfs/dbraw/zinc/07/66/52/640076652.db2.gz XQSUEVNDBPORDG-ILXRZTDVSA-N 2 1 282.428 2.169 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000842478664 640077792 /nfs/dbraw/zinc/07/77/92/640077792.db2.gz LKSUEDKSJOJRQX-PMPSAXMXSA-N 2 1 297.487 2.378 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000842478664 640077797 /nfs/dbraw/zinc/07/77/97/640077797.db2.gz LKSUEDKSJOJRQX-PMPSAXMXSA-N 2 1 297.487 2.378 20 0 CEADMP CC(C)Cn1nccc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000842673511 640146106 /nfs/dbraw/zinc/14/61/06/640146106.db2.gz OQJKUCREZMSWIL-OAHLLOKOSA-N 2 1 278.444 2.359 20 0 CEADMP CC(C)Cn1nccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000842673511 640146110 /nfs/dbraw/zinc/14/61/10/640146110.db2.gz OQJKUCREZMSWIL-OAHLLOKOSA-N 2 1 278.444 2.359 20 0 CEADMP CCc1nn(C)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000843059900 640262429 /nfs/dbraw/zinc/26/24/29/640262429.db2.gz UDCLNDMZKDWMIN-LOWVWBTDSA-N 2 1 296.846 2.195 20 0 CEADMP CCc1nn(C)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000843059900 640262431 /nfs/dbraw/zinc/26/24/31/640262431.db2.gz UDCLNDMZKDWMIN-LOWVWBTDSA-N 2 1 296.846 2.195 20 0 CEADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000843358189 640402491 /nfs/dbraw/zinc/40/24/91/640402491.db2.gz AXWGPXUJFAEJGV-CVEARBPZSA-N 2 1 262.397 2.184 20 0 CEADMP CCCCCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000843358847 640402564 /nfs/dbraw/zinc/40/25/64/640402564.db2.gz VKYCSQOTXGLGOI-CVEARBPZSA-N 2 1 295.471 2.004 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877136643 650589817 /nfs/dbraw/zinc/58/98/17/650589817.db2.gz KPNCIXXTVQPHIV-JKSUJKDBSA-N 2 1 298.390 2.425 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc(C[NH3+])c1 ZINC000844188727 640627621 /nfs/dbraw/zinc/62/76/21/640627621.db2.gz YQOHTHQQOJGIAG-MRXNPFEDSA-N 2 1 289.423 2.092 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000844200392 640629978 /nfs/dbraw/zinc/62/99/78/640629978.db2.gz RZTFUNWMOYZYSM-UHFFFAOYSA-N 2 1 291.439 2.274 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000844221321 640635707 /nfs/dbraw/zinc/63/57/07/640635707.db2.gz CNTOIHZROPLBRP-UHFFFAOYSA-N 2 1 295.393 2.466 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000844221827 640636039 /nfs/dbraw/zinc/63/60/39/640636039.db2.gz MULKZMVRVXNDMO-MRXNPFEDSA-N 2 1 267.461 2.456 20 0 CEADMP [NH3+]CCCCCCCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000844221827 640636044 /nfs/dbraw/zinc/63/60/44/640636044.db2.gz MULKZMVRVXNDMO-MRXNPFEDSA-N 2 1 267.461 2.456 20 0 CEADMP CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994133982 640696649 /nfs/dbraw/zinc/69/66/49/640696649.db2.gz NQBHTRKYBOCWHM-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000846218114 641227272 /nfs/dbraw/zinc/22/72/72/641227272.db2.gz JKBXJANHUBGMFM-UHFFFAOYSA-N 2 1 262.397 2.312 20 0 CEADMP C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCCCCC[NH3+])C[C@@H](C)O1 ZINC000846221179 641231314 /nfs/dbraw/zinc/23/13/14/641231314.db2.gz HUKBKJJLAPAYNE-ZACQAIPSSA-N 2 1 297.487 2.079 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000846221481 641231385 /nfs/dbraw/zinc/23/13/85/641231385.db2.gz ZCJYFDJTYQLLKO-AWEZNQCLSA-N 2 1 291.443 2.381 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000846221481 641231395 /nfs/dbraw/zinc/23/13/95/641231395.db2.gz ZCJYFDJTYQLLKO-AWEZNQCLSA-N 2 1 291.443 2.381 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000846221481 641231401 /nfs/dbraw/zinc/23/14/01/641231401.db2.gz ZCJYFDJTYQLLKO-AWEZNQCLSA-N 2 1 291.443 2.381 20 0 CEADMP Cc1cc([C@H]2CCC[N@@H+]2CCCc2cncn2C)no1 ZINC000846766525 641416211 /nfs/dbraw/zinc/41/62/11/641416211.db2.gz SWTQYDATQXARTC-OAHLLOKOSA-N 2 1 274.368 2.486 20 0 CEADMP Cc1cc([C@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)no1 ZINC000846766525 641416219 /nfs/dbraw/zinc/41/62/19/641416219.db2.gz SWTQYDATQXARTC-OAHLLOKOSA-N 2 1 274.368 2.486 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](CC3(Br)CC3)CC[C@H]21 ZINC000846816344 641437279 /nfs/dbraw/zinc/43/72/79/641437279.db2.gz FUNGFDVRNKFKEC-NWDGAFQWSA-N 2 1 287.245 2.330 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CC3(Br)CC3)CC[C@H]21 ZINC000846816344 641437295 /nfs/dbraw/zinc/43/72/95/641437295.db2.gz FUNGFDVRNKFKEC-NWDGAFQWSA-N 2 1 287.245 2.330 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CC3(Br)CC3)CC[C@H]21 ZINC000846816344 641437297 /nfs/dbraw/zinc/43/72/97/641437297.db2.gz FUNGFDVRNKFKEC-NWDGAFQWSA-N 2 1 287.245 2.330 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3(Br)CC3)CC[C@H]21 ZINC000846816344 641437299 /nfs/dbraw/zinc/43/72/99/641437299.db2.gz FUNGFDVRNKFKEC-NWDGAFQWSA-N 2 1 287.245 2.330 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000070173998 641641499 /nfs/dbraw/zinc/64/14/99/641641499.db2.gz JMSZCJQTMOVQRD-HOCLYGCPSA-N 3 1 284.407 2.432 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])NCCc2cccs2)C1 ZINC000848987494 642209130 /nfs/dbraw/zinc/20/91/30/642209130.db2.gz AXRNXRYBWFWKLY-CYBMUJFWSA-N 2 1 294.468 2.136 20 0 CEADMP Cc1ccc(CNC(=[NH2+])NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000848987743 642210016 /nfs/dbraw/zinc/21/00/16/642210016.db2.gz XKUOVGKFBVHDFC-HNNXBMFYSA-N 2 1 288.439 2.483 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NCCc1cccs1 ZINC000849001072 642219272 /nfs/dbraw/zinc/21/92/72/642219272.db2.gz ZEZZLCXUHQTLJI-LBPRGKRZSA-N 2 1 282.457 2.135 20 0 CEADMP CC(C)[N@@H+](C)CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000849001022 642219463 /nfs/dbraw/zinc/21/94/63/642219463.db2.gz PMAMYXHCIXWCDN-UHFFFAOYSA-N 2 1 270.327 2.241 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)cc1 ZINC000849006056 642222621 /nfs/dbraw/zinc/22/26/21/642222621.db2.gz PNRVANVJFDKTGO-MRXNPFEDSA-N 2 1 288.439 2.483 20 0 CEADMP CC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCCC(C)(C)C1 ZINC000849023041 642236924 /nfs/dbraw/zinc/23/69/24/642236924.db2.gz HGJUBDCKTYXWSU-LBPRGKRZSA-N 2 1 254.422 2.021 20 0 CEADMP CCCCNC(=[NH2+])NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000849024227 642237647 /nfs/dbraw/zinc/23/76/47/642237647.db2.gz ROOPNVPXTSEMDU-LBPRGKRZSA-N 2 1 254.422 2.021 20 0 CEADMP CC1CCN(C(=[NH2+])NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000849023861 642237689 /nfs/dbraw/zinc/23/76/89/642237689.db2.gz IMXZXGDVSLUERC-CQSZACIVSA-N 2 1 280.460 2.363 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000849028008 642240840 /nfs/dbraw/zinc/24/08/40/642240840.db2.gz VHFSQHRDNCZLPI-AWEZNQCLSA-N 2 1 260.385 2.497 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921580572 642249126 /nfs/dbraw/zinc/24/91/26/642249126.db2.gz BVMGWUGXHNBIPO-GFCCVEGCSA-N 2 1 289.379 2.355 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921580572 642249130 /nfs/dbraw/zinc/24/91/30/642249130.db2.gz BVMGWUGXHNBIPO-GFCCVEGCSA-N 2 1 289.379 2.355 20 0 CEADMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])NCCc2cccs2)C1 ZINC000849041083 642251276 /nfs/dbraw/zinc/25/12/76/642251276.db2.gz JVNVXYAAJNWCDW-ZDUSSCGKSA-N 2 1 294.468 2.136 20 0 CEADMP Cc1ccc(CNC(=[NH2+])NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000849041880 642252196 /nfs/dbraw/zinc/25/21/96/642252196.db2.gz ZAYPDRMDZHBLDW-INIZCTEOSA-N 2 1 288.439 2.341 20 0 CEADMP C(NC1=[NH+]CCCCN1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000849216896 642286779 /nfs/dbraw/zinc/28/67/79/642286779.db2.gz REWFSWLBBFUPJF-HNNXBMFYSA-N 2 1 278.444 2.113 20 0 CEADMP C[C@H]1Cc2cc(C[NH2+][C@H]3CCc4[nH+]ccn4C3)ccc2O1 ZINC000921633768 642290445 /nfs/dbraw/zinc/29/04/45/642290445.db2.gz RGGWQOIKKWEQLS-WFASDCNBSA-N 2 1 283.375 2.311 20 0 CEADMP CC(C)[NH2+]CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000998284434 642381586 /nfs/dbraw/zinc/38/15/86/642381586.db2.gz CJJHOCRSEGMXIH-GASCZTMLSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999290268 642477465 /nfs/dbraw/zinc/47/74/65/642477465.db2.gz KLLBTYOMRUUBSF-FHERZECASA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999351164 642482129 /nfs/dbraw/zinc/48/21/29/642482129.db2.gz DCTMJHIQWANKLH-JKSUJKDBSA-N 2 1 295.471 2.238 20 0 CEADMP CCCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001001535247 642728918 /nfs/dbraw/zinc/72/89/18/642728918.db2.gz SNAGBKJTNLOKEN-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC001003012450 642891233 /nfs/dbraw/zinc/89/12/33/642891233.db2.gz VMWOPEPOWLCEIK-INIZCTEOSA-N 2 1 295.471 2.238 20 0 CEADMP COc1cccc(C)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000922138520 642899363 /nfs/dbraw/zinc/89/93/63/642899363.db2.gz AMLMKTVFEKUFDK-LBPRGKRZSA-N 2 1 250.386 2.291 20 0 CEADMP COC(OC)[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000922313130 643023492 /nfs/dbraw/zinc/02/34/92/643023492.db2.gz LMOLTWZFRJMWJU-ZDUSSCGKSA-N 2 1 284.444 2.381 20 0 CEADMP Cc1occc1C[NH2+][C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922390424 643058165 /nfs/dbraw/zinc/05/81/65/643058165.db2.gz MJHSHYAZZAMKTK-QBPKDAKJSA-N 2 1 292.423 2.157 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccsc1)C2 ZINC000922390083 643058235 /nfs/dbraw/zinc/05/82/35/643058235.db2.gz XFURJJWYDHZCTD-LVQVYYBASA-N 2 1 294.464 2.317 20 0 CEADMP CC[C@@](C)(CC(=O)OC)[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000851852467 643192063 /nfs/dbraw/zinc/19/20/63/643192063.db2.gz DACZCLJABISVIH-LZWOXQAQSA-N 2 1 284.444 2.286 20 0 CEADMP CC[C@@](C)(CC(=O)OC)[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000851852467 643192065 /nfs/dbraw/zinc/19/20/65/643192065.db2.gz DACZCLJABISVIH-LZWOXQAQSA-N 2 1 284.444 2.286 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CCC[C@@H](SC)C1)C[NH+](C)C ZINC000922754432 643244878 /nfs/dbraw/zinc/24/48/78/643244878.db2.gz XEDCLQCXYHYGQW-BFHYXJOUSA-N 2 1 274.474 2.217 20 0 CEADMP CCO[C@@H](C[NH2+]C/C=C\c1ccccc1OC)CN(C)C ZINC000922756065 643246804 /nfs/dbraw/zinc/24/68/04/643246804.db2.gz DSEYGVGWHAENEU-YHWKNFMLSA-N 2 1 292.423 2.265 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCCO2)CC1(C)C ZINC000922818414 643281476 /nfs/dbraw/zinc/28/14/76/643281476.db2.gz ROOKIVLSNCMRPJ-DZGCQCFKSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCS1 ZINC000922839274 643291296 /nfs/dbraw/zinc/29/12/96/643291296.db2.gz RPIAJKCLOHPHIY-AAVRWANBSA-N 2 1 254.443 2.487 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@@](C)(OC)C1CC1 ZINC000877664111 650839552 /nfs/dbraw/zinc/83/95/52/650839552.db2.gz HJOIRXUZWLYQGV-QGZVFWFLSA-N 2 1 298.471 2.092 20 0 CEADMP CCCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001005995780 643618178 /nfs/dbraw/zinc/61/81/78/643618178.db2.gz IQZXDXUGAQTGER-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000923279029 643636253 /nfs/dbraw/zinc/63/62/53/643636253.db2.gz AYCXXHIGQACIDB-LJQANCHMSA-N 2 1 298.430 2.427 20 0 CEADMP c1ccc(C[C@@H]2CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923300108 643645126 /nfs/dbraw/zinc/64/51/26/643645126.db2.gz ACDMIUSRVAOHFO-DLBZAZTESA-N 2 1 286.419 2.072 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000923294463 643646356 /nfs/dbraw/zinc/64/63/56/643646356.db2.gz LXZPQTRFFFLTOB-LSDHHAIUSA-N 2 1 268.376 2.164 20 0 CEADMP Cc1ccccc1OC[C@H](O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000923296095 643647208 /nfs/dbraw/zinc/64/72/08/643647208.db2.gz CAUBOZGWNHBGOU-CVEARBPZSA-N 2 1 294.439 2.040 20 0 CEADMP c1ccc([C@H]2CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923301731 643648952 /nfs/dbraw/zinc/64/89/52/643648952.db2.gz NQNJXTAZMZKAEN-HZPDHXFCSA-N 2 1 272.392 2.202 20 0 CEADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301684 643649048 /nfs/dbraw/zinc/64/90/48/643649048.db2.gz LGKZYOBSKRNQLK-SWLSCSKDSA-N 2 1 278.371 2.197 20 0 CEADMP Cn1c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cnc1Cl ZINC000853092734 643650297 /nfs/dbraw/zinc/65/02/97/643650297.db2.gz KMUZWLIWNBWDNE-ZDUSSCGKSA-N 2 1 296.846 2.285 20 0 CEADMP Cn1c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cnc1Cl ZINC000853092734 643650303 /nfs/dbraw/zinc/65/03/03/643650303.db2.gz KMUZWLIWNBWDNE-ZDUSSCGKSA-N 2 1 296.846 2.285 20 0 CEADMP C[C@H]1c2ccc(F)cc2CC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923313291 643653047 /nfs/dbraw/zinc/65/30/47/643653047.db2.gz DFDJZELQUBFQFS-SWLSCSKDSA-N 2 1 290.382 2.123 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccccn1 ZINC000853099272 643653419 /nfs/dbraw/zinc/65/34/19/643653419.db2.gz PMPUTXNJGORECW-WBVHZDCISA-N 2 1 291.439 2.359 20 0 CEADMP C[C@H]1c2c(F)cccc2CC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315271 643654816 /nfs/dbraw/zinc/65/48/16/643654816.db2.gz FCEBPQPOKCBWHU-GXTWGEPZSA-N 2 1 290.382 2.123 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923310271 643658597 /nfs/dbraw/zinc/65/85/97/643658597.db2.gz CWKWPFRPUQTTHC-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923311824 643658770 /nfs/dbraw/zinc/65/87/70/643658770.db2.gz YEOSPAZFNKLNEN-KCQAQPDRSA-N 2 1 266.429 2.264 20 0 CEADMP O[C@@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(F)c(F)c1 ZINC000923327999 643659637 /nfs/dbraw/zinc/65/96/37/643659637.db2.gz RHMYKGVLGFDIMZ-HNNXBMFYSA-N 2 1 296.361 2.074 20 0 CEADMP c1csc([C@H]2CCCC[N@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923323189 643662700 /nfs/dbraw/zinc/66/27/00/643662700.db2.gz FLMSUFSPSZIXAO-CHWSQXEVSA-N 2 1 293.436 2.049 20 0 CEADMP c1csc([C@H]2CCCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923323189 643662705 /nfs/dbraw/zinc/66/27/05/643662705.db2.gz FLMSUFSPSZIXAO-CHWSQXEVSA-N 2 1 293.436 2.049 20 0 CEADMP C(C[NH2+]C1CC1)CN1CCC[N@H+](C2CCCC2)CC1 ZINC000923324024 643663298 /nfs/dbraw/zinc/66/32/98/643663298.db2.gz PCVNOEWULOMCHZ-UHFFFAOYSA-N 2 1 265.445 2.079 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000923332255 643664612 /nfs/dbraw/zinc/66/46/12/643664612.db2.gz KPRIGWJSYCSLEB-YLFCFFPRSA-N 2 1 274.408 2.088 20 0 CEADMP CC[N@@H+](C[C@H](O)CC1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000923335676 643668276 /nfs/dbraw/zinc/66/82/76/643668276.db2.gz OEZCFXAEAMKDLA-HZPDHXFCSA-N 2 1 268.445 2.392 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000923332253 643671653 /nfs/dbraw/zinc/67/16/53/643671653.db2.gz KPRIGWJSYCSLEB-VVLHAWIVSA-N 2 1 274.408 2.088 20 0 CEADMP CC[C@H](O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923341533 643674237 /nfs/dbraw/zinc/67/42/37/643674237.db2.gz MBARUUVLZBLDAT-GJZGRUSLSA-N 2 1 294.464 2.463 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C)cc2)CC[C@H]1[NH3+] ZINC000923342941 643675348 /nfs/dbraw/zinc/67/53/48/643675348.db2.gz AAQUHJNKWQTHSD-FVQBIDKESA-N 2 1 262.397 2.088 20 0 CEADMP C[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C1CC([NH3+])C1 ZINC000923363376 643679672 /nfs/dbraw/zinc/67/96/72/643679672.db2.gz VCGKQKWPJBKZHO-ZPPKWKGLSA-N 2 1 289.206 2.448 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C1CC([NH3+])C1 ZINC000923363376 643679675 /nfs/dbraw/zinc/67/96/75/643679675.db2.gz VCGKQKWPJBKZHO-ZPPKWKGLSA-N 2 1 289.206 2.448 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923356804 643680081 /nfs/dbraw/zinc/68/00/81/643680081.db2.gz URLAMZWWNSECTE-OALUTQOASA-N 2 1 298.430 2.414 20 0 CEADMP C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923370781 643683028 /nfs/dbraw/zinc/68/30/28/643683028.db2.gz KDQQNTXPFVLKHT-LBPRGKRZSA-N 2 1 298.789 2.289 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)C1CCCCC1 ZINC000923373876 643683958 /nfs/dbraw/zinc/68/39/58/643683958.db2.gz PSTPMGLAEWHBJZ-GJZGRUSLSA-N 2 1 290.407 2.324 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)C1CCCCC1 ZINC000923375225 643685354 /nfs/dbraw/zinc/68/53/54/643685354.db2.gz ZSYIEUPRZYUXAM-DLBZAZTESA-N 2 1 276.424 2.087 20 0 CEADMP Cc1cc(C)c2c(c1)C[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923376115 643686445 /nfs/dbraw/zinc/68/64/45/643686445.db2.gz IIMZLUKNEMKSJG-MRXNPFEDSA-N 2 1 286.419 2.040 20 0 CEADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000923388281 643693586 /nfs/dbraw/zinc/69/35/86/643693586.db2.gz HNPAKZZEYQJDCL-HOCLYGCPSA-N 2 1 266.429 2.410 20 0 CEADMP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923398697 643696682 /nfs/dbraw/zinc/69/66/82/643696682.db2.gz NHNXAORWVZNEQJ-SXBYAPGRSA-N 2 1 298.377 2.017 20 0 CEADMP CO[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)[C@@](C)(C[NH3+])C1 ZINC000923410447 643699888 /nfs/dbraw/zinc/69/98/88/643699888.db2.gz HPZFYIPGZGOKRU-LSDHHAIUSA-N 2 1 266.429 2.395 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923413054 643701090 /nfs/dbraw/zinc/70/10/90/643701090.db2.gz CJJUMJXFVMXTFE-GOEBONIOSA-N 2 1 270.461 2.480 20 0 CEADMP N[C@H]1CCCCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923413643 643702346 /nfs/dbraw/zinc/70/23/46/643702346.db2.gz WWAORUKLSBCXJJ-PNRVRQOCSA-N 2 1 265.445 2.110 20 0 CEADMP N[C@H]1CCCCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923413643 643702349 /nfs/dbraw/zinc/70/23/49/643702349.db2.gz WWAORUKLSBCXJJ-PNRVRQOCSA-N 2 1 265.445 2.110 20 0 CEADMP CCOC[C@H](O)C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000923423341 643702989 /nfs/dbraw/zinc/70/29/89/643702989.db2.gz AZIIZSDIYAMULA-DJIMGWMZSA-N 2 1 298.471 2.003 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@@H]1c1ccccc1 ZINC000923424369 643704378 /nfs/dbraw/zinc/70/43/78/643704378.db2.gz FXDQQBSBSXFBNP-OIISXLGYSA-N 2 1 286.419 2.448 20 0 CEADMP O[C@@H](CC1CCCC1)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923426406 643705938 /nfs/dbraw/zinc/70/59/38/643705938.db2.gz CYEUJSMADFADMY-DLBZAZTESA-N 2 1 280.456 2.393 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479802 643730959 /nfs/dbraw/zinc/73/09/59/643730959.db2.gz STDXNQPQRSTPIV-GDBMZVCRSA-N 2 1 289.423 2.383 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)C1CCCC1 ZINC000923488081 643735214 /nfs/dbraw/zinc/73/52/14/643735214.db2.gz DAIKQYLSFUMBHK-NWANDNLSSA-N 2 1 254.418 2.108 20 0 CEADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)cc1F ZINC000923488139 643735320 /nfs/dbraw/zinc/73/53/20/643735320.db2.gz QFZZVBYTUBOBAG-CHWSQXEVSA-N 2 1 293.386 2.132 20 0 CEADMP C[C@@H]1C[N@@H+](CCSC(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923492262 643735873 /nfs/dbraw/zinc/73/58/73/643735873.db2.gz MLTJSYBSXNAWTA-RKDXNWHRSA-N 2 1 256.337 2.156 20 0 CEADMP CSc1cccc(NC(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000923491353 643736022 /nfs/dbraw/zinc/73/60/22/643736022.db2.gz INIHJVLMGAJXAG-LBPRGKRZSA-N 2 1 293.436 2.018 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502134 643738255 /nfs/dbraw/zinc/73/82/55/643738255.db2.gz YXJHOBCEZUAIKB-HZPDHXFCSA-N 2 1 297.487 2.332 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)CO2)CC[C@@H]1C[NH3+] ZINC000923494599 643738307 /nfs/dbraw/zinc/73/83/07/643738307.db2.gz ZALHDLXHPIMDIK-RBSFLKMASA-N 2 1 266.429 2.252 20 0 CEADMP Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)c(C)c1 ZINC000923494163 643738723 /nfs/dbraw/zinc/73/87/23/643738723.db2.gz WETXEEGMAOOVHD-HNNXBMFYSA-N 2 1 289.423 2.221 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC[C@H]1C[NH3+] ZINC000923497809 643739993 /nfs/dbraw/zinc/73/99/93/643739993.db2.gz MKXLFQKIVUKXOC-NEPJUHHUSA-N 2 1 292.814 2.404 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2F)CC[C@@H]1C[NH3+] ZINC000923500942 643741800 /nfs/dbraw/zinc/74/18/00/643741800.db2.gz SGNOFTFWVLIJMN-WDEREUQCSA-N 2 1 254.324 2.382 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)CC[C@H]1C[NH3+] ZINC000923501883 643742236 /nfs/dbraw/zinc/74/22/36/643742236.db2.gz WLSKDDGJIVFAJV-JQWIXIFHSA-N 2 1 254.324 2.382 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1F ZINC000923504867 643743437 /nfs/dbraw/zinc/74/34/37/643743437.db2.gz VEPNDRYYYKGSAP-AAEUAGOBSA-N 2 1 266.360 2.251 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(F)cc1 ZINC000923515998 643747558 /nfs/dbraw/zinc/74/75/58/643747558.db2.gz QBCQDPSVJZYYSY-SQWLQELKSA-N 2 1 278.371 2.055 20 0 CEADMP Fc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000923517385 643748597 /nfs/dbraw/zinc/74/85/97/643748597.db2.gz KRBYPYPSJCQXFE-GXTWGEPZSA-N 2 1 285.366 2.415 20 0 CEADMP CC1(C)C[C@@H](c2ccccc2)C[N@H+]1CCOCC[NH3+] ZINC000923525636 643750386 /nfs/dbraw/zinc/75/03/86/643750386.db2.gz IPPSOTDXDTZVIC-OAHLLOKOSA-N 2 1 262.397 2.230 20 0 CEADMP Cc1csc(C[C@H]2CC[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)n1 ZINC000923550547 643760773 /nfs/dbraw/zinc/76/07/73/643760773.db2.gz DITBVWWAHMXKHX-MCIONIFRSA-N 2 1 279.453 2.443 20 0 CEADMP Cc1cc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)nc(N)[nH+]1 ZINC000853849527 643921134 /nfs/dbraw/zinc/92/11/34/643921134.db2.gz CEPKZIHCUXFVCL-GFCCVEGCSA-N 2 1 275.400 2.186 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)CC[C@H]21 ZINC000877741352 650885963 /nfs/dbraw/zinc/88/59/63/650885963.db2.gz AQGNXLIXLAXTGS-RHSMWYFYSA-N 2 1 272.392 2.243 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)CC[C@H]21 ZINC000877741352 650885964 /nfs/dbraw/zinc/88/59/64/650885964.db2.gz AQGNXLIXLAXTGS-RHSMWYFYSA-N 2 1 272.392 2.243 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)CC[C@H]21 ZINC000877741352 650885965 /nfs/dbraw/zinc/88/59/65/650885965.db2.gz AQGNXLIXLAXTGS-RHSMWYFYSA-N 2 1 272.392 2.243 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)CC[C@H]21 ZINC000877741352 650885966 /nfs/dbraw/zinc/88/59/66/650885966.db2.gz AQGNXLIXLAXTGS-RHSMWYFYSA-N 2 1 272.392 2.243 20 0 CEADMP C[N@@H+](C[C@H](O)C1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000838859555 644051255 /nfs/dbraw/zinc/05/12/55/644051255.db2.gz LISXPYMAEFUHJV-WMZOPIPTSA-N 2 1 288.435 2.211 20 0 CEADMP CSC1(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CCC1 ZINC000877742692 650887805 /nfs/dbraw/zinc/88/78/05/650887805.db2.gz QQFPCNYYFZRIPS-CHWSQXEVSA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CCC1 ZINC000877742692 650887808 /nfs/dbraw/zinc/88/78/08/650887808.db2.gz QQFPCNYYFZRIPS-CHWSQXEVSA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CCC1 ZINC000877742692 650887811 /nfs/dbraw/zinc/88/78/11/650887811.db2.gz QQFPCNYYFZRIPS-CHWSQXEVSA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CCC1 ZINC000877742692 650887814 /nfs/dbraw/zinc/88/78/14/650887814.db2.gz QQFPCNYYFZRIPS-CHWSQXEVSA-N 2 1 254.443 2.298 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000838901393 644077723 /nfs/dbraw/zinc/07/77/23/644077723.db2.gz TXAJIVYYKNZNSR-ZDUSSCGKSA-N 2 1 295.427 2.397 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877744752 650891472 /nfs/dbraw/zinc/89/14/72/650891472.db2.gz XQAVTAYMWJFUQB-NVXWUHKLSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877744752 650891474 /nfs/dbraw/zinc/89/14/74/650891474.db2.gz XQAVTAYMWJFUQB-NVXWUHKLSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1ccccc1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877744752 650891479 /nfs/dbraw/zinc/89/14/79/650891479.db2.gz XQAVTAYMWJFUQB-NVXWUHKLSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1ccccc1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877744752 650891481 /nfs/dbraw/zinc/89/14/81/650891481.db2.gz XQAVTAYMWJFUQB-NVXWUHKLSA-N 2 1 273.424 2.279 20 0 CEADMP CC(C)OC1CC([N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000839025159 644127446 /nfs/dbraw/zinc/12/74/46/644127446.db2.gz GUAHHLQCUBAMBD-GPANFISMSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)OC1CC([NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000839025159 644127450 /nfs/dbraw/zinc/12/74/50/644127450.db2.gz GUAHHLQCUBAMBD-GPANFISMSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)OC1CC([NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000839025159 644127452 /nfs/dbraw/zinc/12/74/52/644127452.db2.gz GUAHHLQCUBAMBD-GPANFISMSA-N 2 1 266.429 2.360 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnn(-c3ccccc3)n2)C1 ZINC000839183200 644182795 /nfs/dbraw/zinc/18/27/95/644182795.db2.gz UVCMJRIIDLVJKD-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP C[C@@H](Cc1cccc(F)c1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000839195375 644189697 /nfs/dbraw/zinc/18/96/97/644189697.db2.gz HZEPJXKQJLKDAN-YOEHRIQHSA-N 2 1 294.414 2.145 20 0 CEADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000839195375 644189702 /nfs/dbraw/zinc/18/97/02/644189702.db2.gz HZEPJXKQJLKDAN-YOEHRIQHSA-N 2 1 294.414 2.145 20 0 CEADMP CO[C@H](C)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767860 650903311 /nfs/dbraw/zinc/90/33/11/650903311.db2.gz XKPNHKRLHVTBDV-CQSZACIVSA-N 2 1 256.434 2.321 20 0 CEADMP CC[N@@H+]1CCC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925489885 644597067 /nfs/dbraw/zinc/59/70/67/644597067.db2.gz AUOZLNLOFVIASK-YESZJQIVSA-N 2 1 279.472 2.229 20 0 CEADMP CC[N@H+]1CCC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925489885 644597069 /nfs/dbraw/zinc/59/70/69/644597069.db2.gz AUOZLNLOFVIASK-YESZJQIVSA-N 2 1 279.472 2.229 20 0 CEADMP CC(C)(C)C1=CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000759264183 645005547 /nfs/dbraw/zinc/00/55/47/645005547.db2.gz SRWUVTBZQWHQLA-HNNXBMFYSA-N 2 1 266.429 2.121 20 0 CEADMP CC(C)(C)C1=CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000759264183 645005550 /nfs/dbraw/zinc/00/55/50/645005550.db2.gz SRWUVTBZQWHQLA-HNNXBMFYSA-N 2 1 266.429 2.121 20 0 CEADMP Cc1ccc(O[C@@H]2CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)nc1 ZINC000858041258 645051205 /nfs/dbraw/zinc/05/12/05/645051205.db2.gz JFNBYBRORQQSBI-JKSUJKDBSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ccc(O[C@@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000858041258 645051209 /nfs/dbraw/zinc/05/12/09/645051209.db2.gz JFNBYBRORQQSBI-JKSUJKDBSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ccc(O[C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)nc1 ZINC000858041258 645051215 /nfs/dbraw/zinc/05/12/15/645051215.db2.gz JFNBYBRORQQSBI-JKSUJKDBSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ccc(O[C@@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)nc1 ZINC000858041258 645051217 /nfs/dbraw/zinc/05/12/17/645051217.db2.gz JFNBYBRORQQSBI-JKSUJKDBSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000858041639 645051468 /nfs/dbraw/zinc/05/14/68/645051468.db2.gz LLZRTJMVDPZFOJ-OAHLLOKOSA-N 2 1 286.379 2.048 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000858041639 645051473 /nfs/dbraw/zinc/05/14/73/645051473.db2.gz LLZRTJMVDPZFOJ-OAHLLOKOSA-N 2 1 286.379 2.048 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2cccs2)CC1(C)C ZINC000858142917 645073037 /nfs/dbraw/zinc/07/30/37/645073037.db2.gz QYCLBQIZCDLMMP-WFASDCNBSA-N 2 1 282.453 2.418 20 0 CEADMP C[NH+](C[C@H]1CCC2(CCC2)O1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878124398 651006680 /nfs/dbraw/zinc/00/66/80/651006680.db2.gz HIXAZRNUPZPNGO-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@@H](O)C(C)C)C1 ZINC000878148535 651012957 /nfs/dbraw/zinc/01/29/57/651012957.db2.gz ORORZYUPBBGAHH-LSDHHAIUSA-N 2 1 256.434 2.057 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C[C@H]1CCC[NH+](C)C1 ZINC000878126816 651008576 /nfs/dbraw/zinc/00/85/76/651008576.db2.gz YGEBETDJWZJKLR-VGWMRTNUSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C[C@H]1CCC[N@H+](C)C1 ZINC000878126816 651008584 /nfs/dbraw/zinc/00/85/84/651008584.db2.gz YGEBETDJWZJKLR-VGWMRTNUSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C[C@H]1CCC[N@@H+](C)C1 ZINC000878126816 651008585 /nfs/dbraw/zinc/00/85/85/651008585.db2.gz YGEBETDJWZJKLR-VGWMRTNUSA-N 2 1 266.429 2.218 20 0 CEADMP CC1(C)CCC(C)(C)[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000859471273 645492346 /nfs/dbraw/zinc/49/23/46/645492346.db2.gz AMSKALWWNSXZLH-AWEZNQCLSA-N 2 1 268.445 2.344 20 0 CEADMP CC1(C)CCC(C)(C)[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000859471273 645492353 /nfs/dbraw/zinc/49/23/53/645492353.db2.gz AMSKALWWNSXZLH-AWEZNQCLSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCN2CCc3ccccc32)[C@H](C)C1 ZINC000765415552 645766006 /nfs/dbraw/zinc/76/60/06/645766006.db2.gz FYGJSNLAWYAJGG-WBVHZDCISA-N 2 1 287.451 2.369 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000765758337 645804288 /nfs/dbraw/zinc/80/42/88/645804288.db2.gz JLEUOCNVHPJSPS-IPYPFGDCSA-N 2 1 265.401 2.232 20 0 CEADMP COCCC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765973731 645830021 /nfs/dbraw/zinc/83/00/21/645830021.db2.gz DVUWXWJWIDNFHA-GOEBONIOSA-N 2 1 284.444 2.035 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)C2CC2)C1 ZINC000767415722 645989146 /nfs/dbraw/zinc/98/91/46/645989146.db2.gz PFNHNLWXDNJLED-ZDUSSCGKSA-N 2 1 252.402 2.019 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)C2CC2)C1 ZINC000767415722 645989147 /nfs/dbraw/zinc/98/91/47/645989147.db2.gz PFNHNLWXDNJLED-ZDUSSCGKSA-N 2 1 252.402 2.019 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)C2CC2)C1 ZINC000767415722 645989149 /nfs/dbraw/zinc/98/91/49/645989149.db2.gz PFNHNLWXDNJLED-ZDUSSCGKSA-N 2 1 252.402 2.019 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)C2CC2)C1 ZINC000767415722 645989150 /nfs/dbraw/zinc/98/91/50/645989150.db2.gz PFNHNLWXDNJLED-ZDUSSCGKSA-N 2 1 252.402 2.019 20 0 CEADMP Cc1nc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)[nH]c1C ZINC000862353208 646408682 /nfs/dbraw/zinc/40/86/82/646408682.db2.gz WQQVDLISCHDVCO-UHFFFAOYSA-N 2 1 276.428 2.334 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000862482404 646474497 /nfs/dbraw/zinc/47/44/97/646474497.db2.gz HUKXHWJWFIYXSF-MRXNPFEDSA-N 2 1 296.455 2.241 20 0 CEADMP CC1([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)OCCO1 ZINC000119069323 646554306 /nfs/dbraw/zinc/55/43/06/646554306.db2.gz HWKXJKZKHWFDIP-MRXNPFEDSA-N 2 1 296.455 2.337 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC[N@@H+]1C ZINC000773134463 646709960 /nfs/dbraw/zinc/70/99/60/646709960.db2.gz JMUJUMGWYYOJHI-KSTCHIGDSA-N 2 1 286.510 2.438 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC[N@H+]1C ZINC000773134463 646709964 /nfs/dbraw/zinc/70/99/64/646709964.db2.gz JMUJUMGWYYOJHI-KSTCHIGDSA-N 2 1 286.510 2.438 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000863481435 646739647 /nfs/dbraw/zinc/73/96/47/646739647.db2.gz DFLIGIWVTHEMBG-IRXDYDNUSA-N 2 1 285.435 2.135 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H](N[C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000863481436 646739763 /nfs/dbraw/zinc/73/97/63/646739763.db2.gz DFLIGIWVTHEMBG-SJORKVTESA-N 2 1 285.435 2.135 20 0 CEADMP CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccnn1C ZINC000774380646 646840469 /nfs/dbraw/zinc/84/04/69/646840469.db2.gz JTPFERZBCZJQNY-UYTSQGDYSA-N 2 1 290.455 2.375 20 0 CEADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000864457360 647012293 /nfs/dbraw/zinc/01/22/93/647012293.db2.gz RUCGRWNOFYVHEE-AGIUHOORSA-N 2 1 266.433 2.019 20 0 CEADMP [NH3+]CCCCn1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000864622631 647068139 /nfs/dbraw/zinc/06/81/39/647068139.db2.gz CDFCPFNSKUYDCH-KRWDZBQOSA-N 2 1 299.422 2.184 20 0 CEADMP C[NH+](C)CCn1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000864624165 647069764 /nfs/dbraw/zinc/06/97/64/647069764.db2.gz UPMNUBUFYVCXGV-KRWDZBQOSA-N 2 1 299.422 2.007 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(c2ccsc2)CC1 ZINC000776882105 647096142 /nfs/dbraw/zinc/09/61/42/647096142.db2.gz LFCKRROHMQZQNP-INIZCTEOSA-N 2 1 294.464 2.384 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCOC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805612420 647251730 /nfs/dbraw/zinc/25/17/30/647251730.db2.gz PPIJLOHRDKIQFV-CQSZACIVSA-N 2 1 282.428 2.278 20 0 CEADMP CC(=O)NCC1CCC([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000865401925 647275381 /nfs/dbraw/zinc/27/53/81/647275381.db2.gz DTIKUJYCJQMMGU-UHFFFAOYSA-N 2 1 297.487 2.390 20 0 CEADMP Cc1c(Cl)cccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000865427595 647288619 /nfs/dbraw/zinc/28/86/19/647288619.db2.gz WSBVRJHSKWANAZ-CQSZACIVSA-N 2 1 282.815 2.195 20 0 CEADMP C[C@H]1CCC[N@H+]1CCNc1cc[nH+]cc1C(F)(F)F ZINC000865565034 647362426 /nfs/dbraw/zinc/36/24/26/647362426.db2.gz SCIVBMYRDCTAIB-JTQLQIEISA-N 2 1 273.302 2.419 20 0 CEADMP Cc1c[nH]nc1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865773925 647458879 /nfs/dbraw/zinc/45/88/79/647458879.db2.gz CLVHGEVHBPZKKI-UHFFFAOYSA-N 2 1 298.434 2.471 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000865783065 647462927 /nfs/dbraw/zinc/46/29/27/647462927.db2.gz FZZOMZNNUHGSMF-HOCLYGCPSA-N 2 1 289.423 2.300 20 0 CEADMP FCC[N@@H+]1CCC[C@@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865928076 647540098 /nfs/dbraw/zinc/54/00/98/647540098.db2.gz PTCRRBSXXNODLQ-SNVBAGLBSA-N 2 1 291.292 2.368 20 0 CEADMP FCC[N@H+]1CCC[C@@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865928076 647540101 /nfs/dbraw/zinc/54/01/01/647540101.db2.gz PTCRRBSXXNODLQ-SNVBAGLBSA-N 2 1 291.292 2.368 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000782183328 647597418 /nfs/dbraw/zinc/59/74/18/647597418.db2.gz KEYCQUYZCUONEE-GDBMZVCRSA-N 3 1 267.461 2.133 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000782183328 647597422 /nfs/dbraw/zinc/59/74/22/647597422.db2.gz KEYCQUYZCUONEE-GDBMZVCRSA-N 3 1 267.461 2.133 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000782183328 647597427 /nfs/dbraw/zinc/59/74/27/647597427.db2.gz KEYCQUYZCUONEE-GDBMZVCRSA-N 3 1 267.461 2.133 20 0 CEADMP CCN1CC[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000782183328 647597432 /nfs/dbraw/zinc/59/74/32/647597432.db2.gz KEYCQUYZCUONEE-GDBMZVCRSA-N 2 1 267.461 2.133 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000782183328 647597436 /nfs/dbraw/zinc/59/74/36/647597436.db2.gz KEYCQUYZCUONEE-GDBMZVCRSA-N 2 1 267.461 2.133 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866316385 647734240 /nfs/dbraw/zinc/73/42/40/647734240.db2.gz YVCWTLIDSCVILP-HOTGVXAUSA-N 2 1 264.413 2.186 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2c3ccccc3CN2C)CC[N@H+]1C ZINC000866563542 647826235 /nfs/dbraw/zinc/82/62/35/647826235.db2.gz NEOMFYZRJYMEAT-UNEWFSDZSA-N 2 1 273.424 2.245 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000866661205 647859390 /nfs/dbraw/zinc/85/93/90/647859390.db2.gz QDEBDNPUBTWZQO-IIAWOOMASA-N 2 1 289.423 2.381 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000866661205 647859396 /nfs/dbraw/zinc/85/93/96/647859396.db2.gz QDEBDNPUBTWZQO-IIAWOOMASA-N 2 1 289.423 2.381 20 0 CEADMP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c2c(c1)COCC2 ZINC000866664781 647861032 /nfs/dbraw/zinc/86/10/32/647861032.db2.gz MOWGUWBJYHJPHD-GOSISDBHSA-N 2 1 286.419 2.335 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)OC1 ZINC000866666778 647861409 /nfs/dbraw/zinc/86/14/09/647861409.db2.gz WFGZDHIBWXBROR-GDBMZVCRSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)CC(C)(C)C ZINC000866665573 647861846 /nfs/dbraw/zinc/86/18/46/647861846.db2.gz FIRPKRMOIHYUTB-HIFRSBDPSA-N 2 1 293.459 2.446 20 0 CEADMP COc1ccccc1[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000866703968 647875999 /nfs/dbraw/zinc/87/59/99/647875999.db2.gz QRJJHJYQTQNEGC-RHSMWYFYSA-N 2 1 290.407 2.068 20 0 CEADMP CC(C)CCNC(=O)[C@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704621 647876042 /nfs/dbraw/zinc/87/60/42/647876042.db2.gz OWZWIZFTQQXLNS-YOEHRIQHSA-N 2 1 297.487 2.234 20 0 CEADMP COc1ccc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000866703398 647876070 /nfs/dbraw/zinc/87/60/70/647876070.db2.gz LXVNCOUYDLPKJA-KRWDZBQOSA-N 2 1 290.407 2.068 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1)C1CCC1 ZINC000866708669 647878276 /nfs/dbraw/zinc/87/82/76/647878276.db2.gz SQTDHQKTXDQEND-ZBFHGGJFSA-N 2 1 268.445 2.498 20 0 CEADMP COc1ccc([C@@H]2COCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000866717376 647880555 /nfs/dbraw/zinc/88/05/55/647880555.db2.gz CWQXOPOGIRTTTC-KRWDZBQOSA-N 2 1 290.407 2.068 20 0 CEADMP CCOC(CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)OCC ZINC000786970693 648062096 /nfs/dbraw/zinc/06/20/96/648062096.db2.gz MRRCYQSVAKGMKZ-UONOGXRCSA-N 2 1 272.433 2.096 20 0 CEADMP CCOC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000790748595 648443809 /nfs/dbraw/zinc/44/38/09/648443809.db2.gz ZOSRBDOHVRBKPK-XSCHDIRWSA-N 2 1 297.443 2.116 20 0 CEADMP CCOC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000790748595 648443813 /nfs/dbraw/zinc/44/38/13/648443813.db2.gz ZOSRBDOHVRBKPK-XSCHDIRWSA-N 2 1 297.443 2.116 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(C)nn1C ZINC000793513556 648767738 /nfs/dbraw/zinc/76/77/38/648767738.db2.gz CSQSMMOLEDFNGK-ZDUSSCGKSA-N 2 1 252.406 2.111 20 0 CEADMP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)n(C)n1 ZINC000793533158 648772092 /nfs/dbraw/zinc/77/20/92/648772092.db2.gz MQWOOZLDSJGYSG-MJBXVCDLSA-N 2 1 264.417 2.252 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870876643 648940595 /nfs/dbraw/zinc/94/05/95/648940595.db2.gz HUPKCCNSZURVKA-JYJNAYRXSA-N 2 1 295.471 2.275 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC2CCC(C)([NH+](C)C)CC2)CC[N@H+]1C ZINC000871362425 649072515 /nfs/dbraw/zinc/07/25/15/649072515.db2.gz VTQCCLVEPUCALO-KRIMKBQASA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)=CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784995 649184693 /nfs/dbraw/zinc/18/46/93/649184693.db2.gz NOZLZUPHKWXSDW-YHWZYXNKSA-N 2 1 251.374 2.324 20 0 CEADMP CC(C)=CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784995 649184695 /nfs/dbraw/zinc/18/46/95/649184695.db2.gz NOZLZUPHKWXSDW-YHWZYXNKSA-N 2 1 251.374 2.324 20 0 CEADMP CC[C@H](C)[C@H]([NH3+])c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871792216 649188000 /nfs/dbraw/zinc/18/80/00/649188000.db2.gz RGLDMUPUXCZIOG-AZWZAMPBSA-N 2 1 264.373 2.114 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000872128281 649285933 /nfs/dbraw/zinc/28/59/33/649285933.db2.gz IDTZUJGLENGLIV-MQMHXKEQSA-N 2 1 282.428 2.181 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC000872141671 649290880 /nfs/dbraw/zinc/29/08/80/649290880.db2.gz NGHWNVRIKLWPEE-ZIAGYGMSSA-N 2 1 254.418 2.251 20 0 CEADMP Clc1ncsc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000872142996 649291983 /nfs/dbraw/zinc/29/19/83/649291983.db2.gz HIFFLKOCYMDYQB-UHFFFAOYSA-N 2 1 271.817 2.372 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000872142819 649292410 /nfs/dbraw/zinc/29/24/10/649292410.db2.gz FDTTUMBFBUUTNL-ZIAGYGMSSA-N 2 1 252.402 2.149 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000872143612 649292963 /nfs/dbraw/zinc/29/29/63/649292963.db2.gz UQISVBCSIPSFAF-KKUMJFAQSA-N 2 1 266.429 2.266 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000872144084 649294174 /nfs/dbraw/zinc/29/41/74/649294174.db2.gz BRWGNAXKUYOEPF-KEPFICHZSA-N 2 1 264.413 2.147 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000872144084 649294179 /nfs/dbraw/zinc/29/41/79/649294179.db2.gz BRWGNAXKUYOEPF-KEPFICHZSA-N 2 1 264.413 2.147 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCOCC3)[C@H]1CC[NH3+] ZINC000872145372 649295331 /nfs/dbraw/zinc/29/53/31/649295331.db2.gz RRMYAFUIXHWXOG-PMPSAXMXSA-N 2 1 296.455 2.021 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1C[C@H]3CCC[C@H]3O1)CC[NH2+]CC2 ZINC000872145248 649295809 /nfs/dbraw/zinc/29/58/09/649295809.db2.gz QKGXUDYNAVAZCC-LVQVYYBASA-N 2 1 278.440 2.408 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCOCC3)[C@@H]1CC[NH3+] ZINC000872145370 649295843 /nfs/dbraw/zinc/29/58/43/649295843.db2.gz RRMYAFUIXHWXOG-OWCLPIDISA-N 2 1 296.455 2.021 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCc1ccsc1)C2 ZINC000872153806 649297726 /nfs/dbraw/zinc/29/77/26/649297726.db2.gz HPKPZVHPCWRASZ-UONOGXRCSA-N 2 1 250.411 2.222 20 0 CEADMP Cc1ccccc1CCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153230 649297843 /nfs/dbraw/zinc/29/78/43/649297843.db2.gz CTKGBQVPUIVLSJ-DLBZAZTESA-N 2 1 258.409 2.469 20 0 CEADMP CC(=O)Nc1ccc2c(c1)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000872154170 649298560 /nfs/dbraw/zinc/29/85/60/649298560.db2.gz MKZYIIOMGWLDTN-AWEZNQCLSA-N 2 1 287.407 2.003 20 0 CEADMP CC(=O)Nc1ccc2c(c1)C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000872154170 649298561 /nfs/dbraw/zinc/29/85/61/649298561.db2.gz MKZYIIOMGWLDTN-AWEZNQCLSA-N 2 1 287.407 2.003 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)nc1 ZINC000872154874 649298640 /nfs/dbraw/zinc/29/86/40/649298640.db2.gz CXHWLYMLOPRDID-UWVGGRQHSA-N 2 1 273.302 2.361 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000872154562 649298694 /nfs/dbraw/zinc/29/86/94/649298694.db2.gz SZDZBDWHRMFFBC-AGIUHOORSA-N 2 1 294.361 2.418 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CC(=O)Nc1cc(F)ccc1F ZINC000872155672 649299228 /nfs/dbraw/zinc/29/92/28/649299228.db2.gz YGLVSSILWZXMHS-UHFFFAOYSA-N 2 1 299.365 2.354 20 0 CEADMP Cc1cccc(CNC(=O)C[N@@H+](C)CCCCCC[NH3+])c1 ZINC000872155338 649299237 /nfs/dbraw/zinc/29/92/37/649299237.db2.gz JIWTWAXJRGGLKI-UHFFFAOYSA-N 2 1 291.439 2.062 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1nc(-c2ccccn2)no1 ZINC000872155345 649299258 /nfs/dbraw/zinc/29/92/58/649299258.db2.gz JRKXQHUECLFPPO-UHFFFAOYSA-N 2 1 289.383 2.083 20 0 CEADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000872157018 649299873 /nfs/dbraw/zinc/29/98/73/649299873.db2.gz GUPSXJWCYOHDFJ-QZTJIDSGSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1cccc2c1CC[NH2+]C2 ZINC000872157018 649299875 /nfs/dbraw/zinc/29/98/75/649299875.db2.gz GUPSXJWCYOHDFJ-QZTJIDSGSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2Cc1cccc2c1CC[NH2+]C2 ZINC000872157018 649299878 /nfs/dbraw/zinc/29/98/78/649299878.db2.gz GUPSXJWCYOHDFJ-QZTJIDSGSA-N 3 1 285.435 2.001 20 0 CEADMP C[C@@H](O)c1ncc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000872253842 649329570 /nfs/dbraw/zinc/32/95/70/649329570.db2.gz KUDCPTDSVGLHKE-MNOVXSKESA-N 2 1 283.441 2.064 20 0 CEADMP C[C@H](CO)[N@H+](Cc1cc2c(s1)CC[NH2+]C2)CC1CCC1 ZINC000873210976 649590748 /nfs/dbraw/zinc/59/07/48/649590748.db2.gz FTYFYUOJIRDHGW-GFCCVEGCSA-N 2 1 294.464 2.377 20 0 CEADMP c1c(C[N@H+]2CCOCC3(CCC3)C2)sc2c1C[NH2+]CC2 ZINC000873211267 649591896 /nfs/dbraw/zinc/59/18/96/649591896.db2.gz XKHJXKWJRDFSTA-UHFFFAOYSA-N 2 1 292.448 2.396 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ccnn1C ZINC000873223185 649596929 /nfs/dbraw/zinc/59/69/29/649596929.db2.gz LKSUNZPSTDIMEF-MCIONIFRSA-N 2 1 264.417 2.382 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000873228327 649599838 /nfs/dbraw/zinc/59/98/38/649599838.db2.gz CRKLQGJTLPXGEH-ZIAGYGMSSA-N 2 1 270.417 2.025 20 0 CEADMP COc1cc(C[N@@H+](C)CCCCCC[NH3+])cc(OC)c1O ZINC000873231572 649602387 /nfs/dbraw/zinc/60/23/87/649602387.db2.gz PARXZSLMZGIQMT-UHFFFAOYSA-N 2 1 296.411 2.360 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC(C)(C)C[NH2+]2)[C@@H](C)C1 ZINC000873235308 649604243 /nfs/dbraw/zinc/60/42/43/649604243.db2.gz NLSVEKAKYNSQNH-ZNMIVQPWSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCSCCC(F)(F)F ZINC000873251167 649609212 /nfs/dbraw/zinc/60/92/12/649609212.db2.gz JPUBALPVFHHRPI-NXEZZACHSA-N 2 1 270.364 2.260 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H](N)c2ccccc21)C1CC[NH2+]CC1 ZINC000873271708 649620288 /nfs/dbraw/zinc/62/02/88/649620288.db2.gz LMXKRBDGXZQXOW-UVBJJODRSA-N 2 1 259.397 2.109 20 0 CEADMP C[C@H]([NH2+]C1CC(Nc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000873296234 649631371 /nfs/dbraw/zinc/63/13/71/649631371.db2.gz VXZANCXKMRODTP-HOJRLLLISA-N 2 1 259.397 2.360 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878549525 651127317 /nfs/dbraw/zinc/12/73/17/651127317.db2.gz HDMKRHZGPOBUGB-INIZCTEOSA-N 2 1 296.455 2.132 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878549525 651127319 /nfs/dbraw/zinc/12/73/19/651127319.db2.gz HDMKRHZGPOBUGB-INIZCTEOSA-N 2 1 296.455 2.132 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCCC(C)(C)O3)C2)C1 ZINC000878646329 651150578 /nfs/dbraw/zinc/15/05/78/651150578.db2.gz ZKHVXWPXVWBQBS-HOCLYGCPSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CCCC(C)(C)O3)C2)C1 ZINC000878646329 651150582 /nfs/dbraw/zinc/15/05/82/651150582.db2.gz ZKHVXWPXVWBQBS-HOCLYGCPSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CCCC(C)(C)O3)C2)C1 ZINC000878646329 651150585 /nfs/dbraw/zinc/15/05/85/651150585.db2.gz ZKHVXWPXVWBQBS-HOCLYGCPSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)CCO1 ZINC000879000747 651226129 /nfs/dbraw/zinc/22/61/29/651226129.db2.gz IVNMDSIVDXWKCP-HOTGVXAUSA-N 2 1 298.471 2.377 20 0 CEADMP COCC[N@@H+](C/C=C/Cl)CC1CC[NH+](C)CC1 ZINC000879121800 651246962 /nfs/dbraw/zinc/24/69/62/651246962.db2.gz GLEPZMOQXNPTFH-ZZXKWVIFSA-N 2 1 260.809 2.029 20 0 CEADMP COCC[N@@H+](CCC1(OC)CCC1)CC1CC[NH+](C)CC1 ZINC000879126583 651247289 /nfs/dbraw/zinc/24/72/89/651247289.db2.gz JYUCHFMROJYLOK-UHFFFAOYSA-N 2 1 298.471 2.236 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879566799 651323052 /nfs/dbraw/zinc/32/30/52/651323052.db2.gz YOSQYDYQKWQRKU-ZIAGYGMSSA-N 2 1 256.459 2.403 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879566799 651323053 /nfs/dbraw/zinc/32/30/53/651323053.db2.gz YOSQYDYQKWQRKU-ZIAGYGMSSA-N 2 1 256.459 2.403 20 0 CEADMP Cc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000879570442 651323673 /nfs/dbraw/zinc/32/36/73/651323673.db2.gz ZEIKZYAQIIYOCV-NVXWUHKLSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000879570442 651323675 /nfs/dbraw/zinc/32/36/75/651323675.db2.gz ZEIKZYAQIIYOCV-NVXWUHKLSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879570442 651323677 /nfs/dbraw/zinc/32/36/77/651323677.db2.gz ZEIKZYAQIIYOCV-NVXWUHKLSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879570442 651323679 /nfs/dbraw/zinc/32/36/79/651323679.db2.gz ZEIKZYAQIIYOCV-NVXWUHKLSA-N 2 1 274.408 2.400 20 0 CEADMP COc1ccc(CC[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879570108 651323683 /nfs/dbraw/zinc/32/36/83/651323683.db2.gz AAHBDKYJKAXOJH-RDJZCZTQSA-N 2 1 274.408 2.264 20 0 CEADMP COc1ccc(CC[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000879570108 651323685 /nfs/dbraw/zinc/32/36/85/651323685.db2.gz AAHBDKYJKAXOJH-RDJZCZTQSA-N 2 1 274.408 2.264 20 0 CEADMP COc1ccc(CC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000879570108 651323687 /nfs/dbraw/zinc/32/36/87/651323687.db2.gz AAHBDKYJKAXOJH-RDJZCZTQSA-N 2 1 274.408 2.264 20 0 CEADMP Cc1ccc(OCC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000879570445 651323760 /nfs/dbraw/zinc/32/37/60/651323760.db2.gz ZEIKZYAQIIYOCV-WBVHZDCISA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccc(OCC[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000879570445 651323761 /nfs/dbraw/zinc/32/37/61/651323761.db2.gz ZEIKZYAQIIYOCV-WBVHZDCISA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879570445 651323762 /nfs/dbraw/zinc/32/37/62/651323762.db2.gz ZEIKZYAQIIYOCV-WBVHZDCISA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879570445 651323763 /nfs/dbraw/zinc/32/37/63/651323763.db2.gz ZEIKZYAQIIYOCV-WBVHZDCISA-N 2 1 274.408 2.400 20 0 CEADMP CN(C)c1cccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879572457 651323968 /nfs/dbraw/zinc/32/39/68/651323968.db2.gz HNPXTJCPDBCJGY-RDJZCZTQSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1cccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879572457 651323970 /nfs/dbraw/zinc/32/39/70/651323970.db2.gz HNPXTJCPDBCJGY-RDJZCZTQSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000879572457 651323971 /nfs/dbraw/zinc/32/39/71/651323971.db2.gz HNPXTJCPDBCJGY-RDJZCZTQSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000879572457 651323973 /nfs/dbraw/zinc/32/39/73/651323973.db2.gz HNPXTJCPDBCJGY-RDJZCZTQSA-N 2 1 273.424 2.279 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCOc3ccccc3)CC[C@@H]21 ZINC000879572952 651324899 /nfs/dbraw/zinc/32/48/99/651324899.db2.gz SKQXBQOGGVPKLF-HOCLYGCPSA-N 2 1 260.381 2.091 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCOc3ccccc3)CC[C@@H]21 ZINC000879572952 651324900 /nfs/dbraw/zinc/32/49/00/651324900.db2.gz SKQXBQOGGVPKLF-HOCLYGCPSA-N 2 1 260.381 2.091 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCOc3ccccc3)CC[C@@H]21 ZINC000879572952 651324901 /nfs/dbraw/zinc/32/49/01/651324901.db2.gz SKQXBQOGGVPKLF-HOCLYGCPSA-N 2 1 260.381 2.091 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCOc3ccccc3)CC[C@@H]21 ZINC000879572952 651324902 /nfs/dbraw/zinc/32/49/02/651324902.db2.gz SKQXBQOGGVPKLF-HOCLYGCPSA-N 2 1 260.381 2.091 20 0 CEADMP C[N@@H+](CCN1CC[C@H]2[C@H](CC[NH+]2C)C1)Cc1ccccc1 ZINC000879579378 651325831 /nfs/dbraw/zinc/32/58/31/651325831.db2.gz KVITYJUOOAYMNA-MSOLQXFVSA-N 2 1 287.451 2.144 20 0 CEADMP C[NH+](CCN1CC[C@H]2[C@H](CC[N@@H+]2C)C1)Cc1ccccc1 ZINC000879579378 651325832 /nfs/dbraw/zinc/32/58/32/651325832.db2.gz KVITYJUOOAYMNA-MSOLQXFVSA-N 2 1 287.451 2.144 20 0 CEADMP C[NH+](CCN1CC[C@H]2[C@H](CC[N@H+]2C)C1)Cc1ccccc1 ZINC000879579378 651325836 /nfs/dbraw/zinc/32/58/36/651325836.db2.gz KVITYJUOOAYMNA-MSOLQXFVSA-N 2 1 287.451 2.144 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879623458 651331967 /nfs/dbraw/zinc/33/19/67/651331967.db2.gz VVTILYXMTMTUEJ-CQSZACIVSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879623458 651331968 /nfs/dbraw/zinc/33/19/68/651331968.db2.gz VVTILYXMTMTUEJ-CQSZACIVSA-N 2 1 265.401 2.065 20 0 CEADMP CC(C)C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000879702087 651341175 /nfs/dbraw/zinc/34/11/75/651341175.db2.gz FQBGWIWYICJCNQ-INIZCTEOSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)C[N@@H+](CCc1cnn(C)c1)CC1CC[NH+](C)CC1 ZINC000879702630 651341515 /nfs/dbraw/zinc/34/15/15/651341515.db2.gz SJHJCMMXQZQFPT-UHFFFAOYSA-N 2 1 292.471 2.262 20 0 CEADMP CC(C)C[N@@H+](CCn1ccnc1)CC1CC[NH+](C)CC1 ZINC000879703878 651341584 /nfs/dbraw/zinc/34/15/84/651341584.db2.gz DYFQAOJCUWKURU-UHFFFAOYSA-N 2 1 278.444 2.183 20 0 CEADMP CC(C)C[N@@H+](CC[C@@H]1CCOC1=O)CC1CC[NH+](C)CC1 ZINC000879704086 651341712 /nfs/dbraw/zinc/34/17/12/651341712.db2.gz KQWMUJIWJYRYAH-MRXNPFEDSA-N 2 1 296.455 2.239 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2Cl)CC[N@@H+]1C ZINC000128139205 651375639 /nfs/dbraw/zinc/37/56/39/651375639.db2.gz IPGUOBBHRRVKNE-ZOWXZIJZSA-N 2 1 282.815 2.446 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2Cl)CC[N@H+]1C ZINC000128139205 651375641 /nfs/dbraw/zinc/37/56/41/651375641.db2.gz IPGUOBBHRRVKNE-ZOWXZIJZSA-N 2 1 282.815 2.446 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@@H]3[C@@H]2CCC[NH+]3C)C1 ZINC000880143204 651391582 /nfs/dbraw/zinc/39/15/82/651391582.db2.gz ZXMKCNRJGNPUMA-TWMKSMIVSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC000880143204 651391583 /nfs/dbraw/zinc/39/15/83/651391583.db2.gz ZXMKCNRJGNPUMA-TWMKSMIVSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC000880143204 651391585 /nfs/dbraw/zinc/39/15/85/651391585.db2.gz ZXMKCNRJGNPUMA-TWMKSMIVSA-N 2 1 279.472 2.133 20 0 CEADMP CSCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260985 651412349 /nfs/dbraw/zinc/41/23/49/651412349.db2.gz HFNOAXKKOUZJPX-CYBMUJFWSA-N 2 1 265.426 2.345 20 0 CEADMP C[C@H](CC[N@H+]1CC[C@@H](CF)C1)[NH+]1CC[C@@H](CF)C1 ZINC000880296635 651418275 /nfs/dbraw/zinc/41/82/75/651418275.db2.gz FLHUAJDKBJEKRO-RDBSUJKOSA-N 2 1 260.372 2.348 20 0 CEADMP C[C@H](CC[NH+]1CC[C@@H](CF)C1)[N@@H+]1CC[C@@H](CF)C1 ZINC000880296635 651418278 /nfs/dbraw/zinc/41/82/78/651418278.db2.gz FLHUAJDKBJEKRO-RDBSUJKOSA-N 2 1 260.372 2.348 20 0 CEADMP C[C@H](CC[NH+]1CC[C@@H](CF)C1)[N@H+]1CC[C@@H](CF)C1 ZINC000880296635 651418279 /nfs/dbraw/zinc/41/82/79/651418279.db2.gz FLHUAJDKBJEKRO-RDBSUJKOSA-N 2 1 260.372 2.348 20 0 CEADMP CC(C)(C)OCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472155 651443633 /nfs/dbraw/zinc/44/36/33/651443633.db2.gz FPZYHSZICIVDSR-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP Cc1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)n(C)n1 ZINC000880516892 651454309 /nfs/dbraw/zinc/45/43/09/651454309.db2.gz CDSPUQBSVFWSCS-UHFFFAOYSA-N 2 1 278.444 2.426 20 0 CEADMP CC1(C)C[C@@]1(C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000883259883 652416690 /nfs/dbraw/zinc/41/66/90/652416690.db2.gz BZZNIPYMENWGQW-ZBFHGGJFSA-N 2 1 266.429 2.266 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](OC)C2)[C@H](C)C1 ZINC000883270238 652419731 /nfs/dbraw/zinc/41/97/31/652419731.db2.gz IZVRBMJYUAHBAA-VQHPVUNQSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@@H]1C[C@H](NCc2ccnc(-c3ccccn3)n2)CC[N@H+]1C ZINC000883292206 652425100 /nfs/dbraw/zinc/42/51/00/652425100.db2.gz GXBUYGHTQSHQER-ZIAGYGMSSA-N 2 1 297.406 2.111 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](CCc2ccccc2Br)C1 ZINC000883416720 652461996 /nfs/dbraw/zinc/46/19/96/652461996.db2.gz CIGKMFLTAOVIPE-LLVKDONJSA-N 2 1 283.213 2.272 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCc2ccccc2Br)C1 ZINC000883416720 652462000 /nfs/dbraw/zinc/46/20/00/652462000.db2.gz CIGKMFLTAOVIPE-LLVKDONJSA-N 2 1 283.213 2.272 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)CC[C@H]1[NH3+] ZINC000883427334 652466000 /nfs/dbraw/zinc/46/60/00/652466000.db2.gz OGSLAVJWTCJDON-OWCLPIDISA-N 2 1 296.455 2.021 20 0 CEADMP [NH3+]CCN1CCC[C@H](c2cc(-c3ccccc3)[nH]n2)C1 ZINC000883447649 652473484 /nfs/dbraw/zinc/47/34/84/652473484.db2.gz HUZPACIKYYRVGF-AWEZNQCLSA-N 2 1 270.380 2.215 20 0 CEADMP CO[C@@]1(C(F)(F)F)CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000883447459 652473516 /nfs/dbraw/zinc/47/35/16/652473516.db2.gz CCMWJYTVLDPLQC-ZDUSSCGKSA-N 2 1 294.361 2.419 20 0 CEADMP c1cc2c(cc1C[N@@H+]1CC[NH2+]CCC13CCC3)C[NH2+]CC2 ZINC000883459995 652477241 /nfs/dbraw/zinc/47/72/41/652477241.db2.gz MQLOFFWMCJOMAZ-UHFFFAOYSA-N 3 1 285.435 2.050 20 0 CEADMP c1cc2c(cc1C[N@H+]1CC[NH2+]CCC13CCC3)C[NH2+]CC2 ZINC000883459995 652477242 /nfs/dbraw/zinc/47/72/42/652477242.db2.gz MQLOFFWMCJOMAZ-UHFFFAOYSA-N 3 1 285.435 2.050 20 0 CEADMP CCO[C@@H](C[N@H+]1CC[NH2+]CCC12CCC2)C1CC1 ZINC000883460190 652477338 /nfs/dbraw/zinc/47/73/38/652477338.db2.gz RMFLRPGXBGLPNW-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000884179782 652744032 /nfs/dbraw/zinc/74/40/32/652744032.db2.gz ANTUHRQALTYUNS-GJZGRUSLSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884191279 652747020 /nfs/dbraw/zinc/74/70/20/652747020.db2.gz ZPRTYSKDAXALGR-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000884314730 652791165 /nfs/dbraw/zinc/79/11/65/652791165.db2.gz UDWGMDYNJCYGNN-PMPSAXMXSA-N 2 1 295.471 2.094 20 0 CEADMP CC[C@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)[NH+]1CCCC1 ZINC000885920842 653068912 /nfs/dbraw/zinc/06/89/12/653068912.db2.gz IUNACMIJADYGSD-JKSUJKDBSA-N 2 1 296.455 2.179 20 0 CEADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)nc1 ZINC001164441181 718987190 /nfs/dbraw/zinc/98/71/90/718987190.db2.gz XCQRATAHRMJWFL-QSJFSLAZSA-N 2 1 286.423 2.022 20 0 CEADMP C[C@H]1CC([N@H+]2CC[C@@H](O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039857 805865806 /nfs/dbraw/zinc/86/58/06/805865806.db2.gz IBEIKNYGSAZJRD-RLFYNMQTSA-N 2 1 288.435 2.495 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]CC=C(C)C)C1 ZINC001271539400 805987718 /nfs/dbraw/zinc/98/77/18/805987718.db2.gz ISDLJVMVAOPTJR-HOTGVXAUSA-N 2 1 295.471 2.121 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)C(C)C)C1 ZINC001029751382 806062744 /nfs/dbraw/zinc/06/27/44/806062744.db2.gz SXJVDWPDKGVPNQ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)C(C)C)C1 ZINC001029751382 806062753 /nfs/dbraw/zinc/06/27/53/806062753.db2.gz SXJVDWPDKGVPNQ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)C(C)C)C1 ZINC001029751382 806062763 /nfs/dbraw/zinc/06/27/63/806062763.db2.gz SXJVDWPDKGVPNQ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001088312256 806109400 /nfs/dbraw/zinc/10/94/00/806109400.db2.gz SDUSWUPFUWZKHH-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001088312255 806109521 /nfs/dbraw/zinc/10/95/21/806109521.db2.gz SDUSWUPFUWZKHH-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H](Cc1ccc(Cl)cc1)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001168155261 806324709 /nfs/dbraw/zinc/32/47/09/806324709.db2.gz QHFGCWIXLPIKOR-SMDDNHRTSA-N 2 1 293.798 2.202 20 0 CEADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)C1CCC(C)CC1 ZINC001168218624 806418036 /nfs/dbraw/zinc/41/80/36/806418036.db2.gz ZHAWHLWPPZYDLZ-UHFFFAOYSA-N 2 1 284.444 2.382 20 0 CEADMP [NH3+]Cc1cnn(-c2ccc3c(c2)[nH]c2cc[nH+]cc23)c1 ZINC001168258817 806449393 /nfs/dbraw/zinc/44/93/93/806449393.db2.gz BJRIZUINGXBAKC-UHFFFAOYSA-N 2 1 263.304 2.361 20 0 CEADMP C[NH+](C)C1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001168294687 806632432 /nfs/dbraw/zinc/63/24/32/806632432.db2.gz BHAUTPVCHQBFFG-QQFBHYJXSA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)Cc2cncs2)CC1 ZINC001168329513 806658187 /nfs/dbraw/zinc/65/81/87/806658187.db2.gz WGXMZXYJXVFFQM-UHFFFAOYSA-N 2 1 253.415 2.448 20 0 CEADMP CO[C@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)[C@H](C)C1 ZINC001208115742 802342633 /nfs/dbraw/zinc/34/26/33/802342633.db2.gz MHFLTBVYNDCMHG-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2Cc2ccccn2)C1 ZINC001208608308 802389409 /nfs/dbraw/zinc/38/94/09/802389409.db2.gz GXFNWKSHGOWYEF-NVXWUHKLSA-N 2 1 273.424 2.430 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H]2Cc2ccccn2)C1 ZINC001208608308 802389419 /nfs/dbraw/zinc/38/94/19/802389419.db2.gz GXFNWKSHGOWYEF-NVXWUHKLSA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2Cc2ccccn2)C1 ZINC001208608308 802389429 /nfs/dbraw/zinc/38/94/29/802389429.db2.gz GXFNWKSHGOWYEF-NVXWUHKLSA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H]2Cc2ccccn2)C1 ZINC001208608308 802389436 /nfs/dbraw/zinc/38/94/36/802389436.db2.gz GXFNWKSHGOWYEF-NVXWUHKLSA-N 2 1 273.424 2.430 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@](O)(C(F)(F)F)C2)C1 ZINC001208606083 802389808 /nfs/dbraw/zinc/38/98/08/802389808.db2.gz DTFZSCDESBJGSA-STQMWFEESA-N 2 1 294.361 2.108 20 0 CEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)C1 ZINC001208606083 802389818 /nfs/dbraw/zinc/38/98/18/802389818.db2.gz DTFZSCDESBJGSA-STQMWFEESA-N 2 1 294.361 2.108 20 0 CEADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)C1 ZINC001208606083 802389828 /nfs/dbraw/zinc/38/98/28/802389828.db2.gz DTFZSCDESBJGSA-STQMWFEESA-N 2 1 294.361 2.108 20 0 CEADMP C[N@H+]1CC=C(Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001208844251 802420409 /nfs/dbraw/zinc/42/04/09/802420409.db2.gz PJDOXQGYGCHVLS-UHFFFAOYSA-N 2 1 287.407 2.150 20 0 CEADMP C[N@@H+]1CC=C(Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001208844251 802420414 /nfs/dbraw/zinc/42/04/14/802420414.db2.gz PJDOXQGYGCHVLS-UHFFFAOYSA-N 2 1 287.407 2.150 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC[C@H]1[NH3+] ZINC000721420813 802588809 /nfs/dbraw/zinc/58/88/09/802588809.db2.gz BQBVHTHBPLTDIR-KXNHARMFSA-N 2 1 280.334 2.156 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC[C@H]1[NH3+] ZINC000721420813 802588813 /nfs/dbraw/zinc/58/88/13/802588813.db2.gz BQBVHTHBPLTDIR-KXNHARMFSA-N 2 1 280.334 2.156 20 0 CEADMP CCC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001167240934 802598282 /nfs/dbraw/zinc/59/82/82/802598282.db2.gz WFLFWEJDECGADF-UHFFFAOYSA-N 2 1 295.471 2.004 20 0 CEADMP c1cc2c(c(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)c1)OCC2 ZINC000693111058 802653582 /nfs/dbraw/zinc/65/35/82/802653582.db2.gz DRHPAOAWNJECIU-CYBMUJFWSA-N 2 1 272.392 2.195 20 0 CEADMP c1cc2c(c(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c1)OCC2 ZINC000693111058 802653585 /nfs/dbraw/zinc/65/35/85/802653585.db2.gz DRHPAOAWNJECIU-CYBMUJFWSA-N 2 1 272.392 2.195 20 0 CEADMP FC(F)(F)[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000687575156 802704445 /nfs/dbraw/zinc/70/44/45/802704445.db2.gz BCDKREPYNHYJPR-NWDGAFQWSA-N 2 1 280.334 2.029 20 0 CEADMP CCCNc1cc[nH+]c(NCC(C)(C)C[NH+](C)C)n1 ZINC001168762620 810074555 /nfs/dbraw/zinc/07/45/55/810074555.db2.gz KTPCRSOQTGUFPS-UHFFFAOYSA-N 2 1 265.405 2.298 20 0 CEADMP CC(C)=CC[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266741014 802874286 /nfs/dbraw/zinc/87/42/86/802874286.db2.gz HLHJEGSWEIXQHJ-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP C([NH2+][C@H]1CCCC2(CC2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000723567855 802889868 /nfs/dbraw/zinc/88/98/68/802889868.db2.gz FZSYZKYEOVNRNK-RRFJBIMHSA-N 2 1 264.413 2.162 20 0 CEADMP C([NH2+][C@H]1CCCC2(CC2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000723567855 802889873 /nfs/dbraw/zinc/88/98/73/802889873.db2.gz FZSYZKYEOVNRNK-RRFJBIMHSA-N 2 1 264.413 2.162 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)CCO1 ZINC001170195888 812343290 /nfs/dbraw/zinc/34/32/90/812343290.db2.gz LIGQMHWWNNFVGQ-BRWVUGGUSA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)CCO1 ZINC001170195888 812343299 /nfs/dbraw/zinc/34/32/99/812343299.db2.gz LIGQMHWWNNFVGQ-BRWVUGGUSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cn2)C[C@H]1CC[NH3+] ZINC000723899890 802966667 /nfs/dbraw/zinc/96/66/67/802966667.db2.gz HRAFMKFZIODRJD-GHMZBOCLSA-N 2 1 253.777 2.152 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000724000447 802992942 /nfs/dbraw/zinc/99/29/42/802992942.db2.gz RRHZHRVUQRPHID-ZBFHGGJFSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC[N@@H+]1C ZINC000403689404 803081912 /nfs/dbraw/zinc/08/19/12/803081912.db2.gz LEQWNDHNOOLQRI-YJBUHQLJSA-N 2 1 254.443 2.485 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC[N@H+]1C ZINC000403689404 803081918 /nfs/dbraw/zinc/08/19/18/803081918.db2.gz LEQWNDHNOOLQRI-YJBUHQLJSA-N 2 1 254.443 2.485 20 0 CEADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCC1CCCCC1 ZINC001133819985 813159622 /nfs/dbraw/zinc/15/96/22/813159622.db2.gz ULDYSRQMPHYDCZ-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000690737442 803114778 /nfs/dbraw/zinc/11/47/78/803114778.db2.gz FEDXNZVLQAOAQG-LLVKDONJSA-N 2 1 261.394 2.467 20 0 CEADMP COC[C@]12CCCO[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001207280436 803120367 /nfs/dbraw/zinc/12/03/67/803120367.db2.gz SCNSDTXEMWTICM-NVXWUHKLSA-N 2 1 298.471 2.092 20 0 CEADMP Cc1noc(C2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)n1 ZINC001207282330 803123682 /nfs/dbraw/zinc/12/36/82/803123682.db2.gz IGTXOROSUDXDLM-UHFFFAOYSA-N 2 1 280.416 2.145 20 0 CEADMP CCC/C=C\CC[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896846 813173712 /nfs/dbraw/zinc/17/37/12/813173712.db2.gz RIYIOTREOHMHMB-SREVYHEPSA-N 2 1 295.471 2.171 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCC1CC1 ZINC001167627160 803215868 /nfs/dbraw/zinc/21/58/68/803215868.db2.gz KYTQEOPDWMBSNZ-INIZCTEOSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@H](C)C[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167640801 803228522 /nfs/dbraw/zinc/22/85/22/803228522.db2.gz RPBTWRWOODRIDY-HNNXBMFYSA-N 2 1 297.487 2.250 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCOC(C)(C)C1 ZINC001207359479 803257590 /nfs/dbraw/zinc/25/75/90/803257590.db2.gz WKNBONHJEYKAAM-OAHLLOKOSA-N 2 1 268.445 2.465 20 0 CEADMP C[N@@H+](CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CCCC1 ZINC000693740911 803263089 /nfs/dbraw/zinc/26/30/89/803263089.db2.gz YTNVGEBFDOFXQW-OWCLPIDISA-N 2 1 279.472 2.227 20 0 CEADMP CCC1([NH+](C)C)CCN(Cc2[nH]c(C)[nH+]c2C)CC1 ZINC000724791451 803294723 /nfs/dbraw/zinc/29/47/23/803294723.db2.gz IQVBWYAIRJQJEH-UHFFFAOYSA-N 2 1 264.417 2.333 20 0 CEADMP CC(C)[C@H]1C[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246800208 814261797 /nfs/dbraw/zinc/26/17/97/814261797.db2.gz WLFZELHJKLNAJX-HZPDHXFCSA-N 2 1 267.461 2.085 20 0 CEADMP Cc1cccc(-c2nnc([C@@H]([NH3+])CCCC[NH3+])o2)c1 ZINC001217700090 803411080 /nfs/dbraw/zinc/41/10/80/803411080.db2.gz XICIAYAWJZPTAE-LBPRGKRZSA-N 2 1 260.341 2.174 20 0 CEADMP CC(C)c1nc(CC[N@@H+](C)CC2CC[NH+](C)CC2)no1 ZINC001207391595 803455799 /nfs/dbraw/zinc/45/57/99/803455799.db2.gz IIJIFDMXSUUUQS-UHFFFAOYSA-N 2 1 280.416 2.009 20 0 CEADMP CC(C)=CC[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001267589175 803574291 /nfs/dbraw/zinc/57/42/91/803574291.db2.gz LWFHRTWMQAFSJD-MRXNPFEDSA-N 2 1 295.471 2.075 20 0 CEADMP FC1(F)[C@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C[C@H]21 ZINC000715400012 814952640 /nfs/dbraw/zinc/95/26/40/814952640.db2.gz GPIVSHVWRTTWOV-OKILXGFUSA-N 2 1 264.319 2.029 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)[C@@H]1CC[NH3+] ZINC000715396581 814952942 /nfs/dbraw/zinc/95/29/42/814952942.db2.gz VJSRGKWBPPLCNQ-BVUBDWEXSA-N 2 1 266.429 2.393 20 0 CEADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2ccc(CC[NH3+])n2)nc1 ZINC001167728318 803686274 /nfs/dbraw/zinc/68/62/74/803686274.db2.gz PLIVZLNTXQILHA-CQSZACIVSA-N 2 1 299.422 2.143 20 0 CEADMP C([C@H]1CC[C@H](C2CC2)O1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000715383054 814961807 /nfs/dbraw/zinc/96/18/07/814961807.db2.gz GFTIOHFGABCAGR-HUUCEWRRSA-N 2 1 264.413 2.020 20 0 CEADMP Cc1ccsc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925629596 803807803 /nfs/dbraw/zinc/80/78/03/803807803.db2.gz KOSMLKLUTDIXIP-CYBMUJFWSA-N 2 1 250.411 2.473 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027447988 804077181 /nfs/dbraw/zinc/07/71/81/804077181.db2.gz DFXXTOWWIPTXEV-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027447988 804077189 /nfs/dbraw/zinc/07/71/89/804077189.db2.gz DFXXTOWWIPTXEV-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027447988 804077200 /nfs/dbraw/zinc/07/72/00/804077200.db2.gz DFXXTOWWIPTXEV-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP [NH3+]CCCCCCc1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001118171463 814989788 /nfs/dbraw/zinc/98/97/88/814989788.db2.gz BKHQHKZBNIRUAL-AWEZNQCLSA-N 2 1 274.368 2.179 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001027694689 804197854 /nfs/dbraw/zinc/19/78/54/804197854.db2.gz HTNAMMRFPSTFDZ-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001027694689 804197861 /nfs/dbraw/zinc/19/78/61/804197861.db2.gz HTNAMMRFPSTFDZ-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001027694689 804197866 /nfs/dbraw/zinc/19/78/66/804197866.db2.gz HTNAMMRFPSTFDZ-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)C(C)C)C1 ZINC001027695480 804199593 /nfs/dbraw/zinc/19/95/93/804199593.db2.gz WKYWLYGFXUSUEU-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)C(C)C)C1 ZINC001027695480 804199597 /nfs/dbraw/zinc/19/95/97/804199597.db2.gz WKYWLYGFXUSUEU-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001027695480 804199601 /nfs/dbraw/zinc/19/96/01/804199601.db2.gz WKYWLYGFXUSUEU-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001027892966 804324800 /nfs/dbraw/zinc/32/48/00/804324800.db2.gz INXXQAJJRPVPNQ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027892966 804324808 /nfs/dbraw/zinc/32/48/08/804324808.db2.gz INXXQAJJRPVPNQ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001027892966 804324815 /nfs/dbraw/zinc/32/48/15/804324815.db2.gz INXXQAJJRPVPNQ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccc(NC(=[NH2+])NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC001118411213 815012252 /nfs/dbraw/zinc/01/22/52/815012252.db2.gz WAKGANHTLFZKTK-OAHLLOKOSA-N 2 1 292.452 2.369 20 0 CEADMP c1ccn(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)c1 ZINC001204667350 804382369 /nfs/dbraw/zinc/38/23/69/804382369.db2.gz IVNROVATTSCHDM-UHFFFAOYSA-N 2 1 255.365 2.273 20 0 CEADMP c1ccn(-c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)c1 ZINC001204667350 804382376 /nfs/dbraw/zinc/38/23/76/804382376.db2.gz IVNROVATTSCHDM-UHFFFAOYSA-N 2 1 255.365 2.273 20 0 CEADMP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268086355 804398297 /nfs/dbraw/zinc/39/82/97/804398297.db2.gz LULKONCGSQVJPV-HUUCEWRRSA-N 2 1 297.487 2.201 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001167833440 804409058 /nfs/dbraw/zinc/40/90/58/804409058.db2.gz BEWNUUULJZQEEQ-ZBFHGGJFSA-N 2 1 297.443 2.071 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001167835906 804428641 /nfs/dbraw/zinc/42/86/41/804428641.db2.gz VVTYSNZOHWTXDL-HOTGVXAUSA-N 2 1 293.459 2.426 20 0 CEADMP CO[C@@H](C[N@H+]1CCCC2(CC[NH2+]CC2)C1)C1CCC1 ZINC001118505238 815020957 /nfs/dbraw/zinc/02/09/57/815020957.db2.gz ADBDRISFTJESPK-HNNXBMFYSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H](O)CC1CCCC1 ZINC000300072107 804618948 /nfs/dbraw/zinc/61/89/48/804618948.db2.gz JBFOKGGRKOGNAC-HUUCEWRRSA-N 2 1 256.434 2.233 20 0 CEADMP COc1cnc2cc(NC(=[NH2+])SCC[NH3+])ccc2c1 ZINC001167912291 804695432 /nfs/dbraw/zinc/69/54/32/804695432.db2.gz MGHWDYZKCMOEIA-UHFFFAOYSA-N 2 1 276.365 2.282 20 0 CEADMP CCN(CC[NH2+]CC1CCC1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001268458819 804703072 /nfs/dbraw/zinc/70/30/72/804703072.db2.gz JIBULJHLOLKYGN-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP COc1ccc(NC(=[NH2+])SCC[NH3+])c2ccncc12 ZINC001167914969 804703852 /nfs/dbraw/zinc/70/38/52/804703852.db2.gz CAZXUUUBAWMQKD-UHFFFAOYSA-N 2 1 276.365 2.282 20 0 CEADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001028334638 804718857 /nfs/dbraw/zinc/71/88/57/804718857.db2.gz FIATWQABCDNNME-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001028334638 804718860 /nfs/dbraw/zinc/71/88/60/804718860.db2.gz FIATWQABCDNNME-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+]1CC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001268482937 804740220 /nfs/dbraw/zinc/74/02/20/804740220.db2.gz BQFZFILUHPCNRH-GASCZTMLSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[NH+]1CC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001268482937 804740224 /nfs/dbraw/zinc/74/02/24/804740224.db2.gz BQFZFILUHPCNRH-GASCZTMLSA-N 2 1 295.471 2.240 20 0 CEADMP N=C(Nc1ccc([C@@H]2CCC[NH2+]C2)cc1)SCC[NH3+] ZINC001167916646 804751144 /nfs/dbraw/zinc/75/11/44/804751144.db2.gz VFVVGNMWBNNNOQ-GFCCVEGCSA-N 2 1 278.425 2.192 20 0 CEADMP CC1(C)Cc2c(NC(=[NH2+])SCC[NH3+])cccc2NC1=O ZINC001167916754 804751889 /nfs/dbraw/zinc/75/18/89/804751889.db2.gz WWSDYFTURXLHHV-UHFFFAOYSA-N 2 1 292.408 2.246 20 0 CEADMP C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268683746 804926699 /nfs/dbraw/zinc/92/66/99/804926699.db2.gz ZCOJCGFMZUGVBS-GOEBONIOSA-N 2 1 293.455 2.065 20 0 CEADMP CC[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167963913 805443799 /nfs/dbraw/zinc/44/37/99/805443799.db2.gz IAZQIACBVFDDQZ-AYHJJNSGSA-N 2 1 291.483 2.466 20 0 CEADMP CO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167965311 805463225 /nfs/dbraw/zinc/46/32/25/805463225.db2.gz AMNOJBOEOURQAD-ZFNDRPHDSA-N 2 1 264.413 2.159 20 0 CEADMP CC(C)(C)[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965914 805470654 /nfs/dbraw/zinc/47/06/54/805470654.db2.gz PYUDDSPOPWONGC-UYTSQGDYSA-N 2 1 280.456 2.388 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981937 805515672 /nfs/dbraw/zinc/51/56/72/805515672.db2.gz QFZBZZWTEKWDPW-AVAUJXNBSA-N 2 1 291.483 2.322 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981937 805515676 /nfs/dbraw/zinc/51/56/76/805515676.db2.gz QFZBZZWTEKWDPW-AVAUJXNBSA-N 2 1 291.483 2.322 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981937 805515680 /nfs/dbraw/zinc/51/56/80/805515680.db2.gz QFZBZZWTEKWDPW-AVAUJXNBSA-N 2 1 291.483 2.322 20 0 CEADMP C[C@H]1CN(C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981937 805515686 /nfs/dbraw/zinc/51/56/86/805515686.db2.gz QFZBZZWTEKWDPW-AVAUJXNBSA-N 3 1 291.483 2.322 20 0 CEADMP C[C@H]1CN(C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981937 805515691 /nfs/dbraw/zinc/51/56/91/805515691.db2.gz QFZBZZWTEKWDPW-AVAUJXNBSA-N 3 1 291.483 2.322 20 0 CEADMP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001029112226 805543180 /nfs/dbraw/zinc/54/31/80/805543180.db2.gz YEVDHAFGKFXHEG-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP COC[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167985740 805543254 /nfs/dbraw/zinc/54/32/54/805543254.db2.gz ZKECEQNGQZJEJS-PMRDEQMMSA-N 2 1 278.440 2.360 20 0 CEADMP COC[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167985740 805543256 /nfs/dbraw/zinc/54/32/56/805543256.db2.gz ZKECEQNGQZJEJS-PMRDEQMMSA-N 2 1 278.440 2.360 20 0 CEADMP COC[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167985740 805543257 /nfs/dbraw/zinc/54/32/57/805543257.db2.gz ZKECEQNGQZJEJS-PMRDEQMMSA-N 2 1 278.440 2.360 20 0 CEADMP c1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)sn1 ZINC001119290116 815084678 /nfs/dbraw/zinc/08/46/78/815084678.db2.gz OQWZVQGFIHBXCN-UHFFFAOYSA-N 2 1 251.399 2.109 20 0 CEADMP COC(=O)[C@H]1CC[C@@H](C)[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168393271 807066362 /nfs/dbraw/zinc/06/63/62/807066362.db2.gz ZVIYOZPZLGPHNN-HIFRSBDPSA-N 2 1 294.439 2.134 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168400232 807096513 /nfs/dbraw/zinc/09/65/13/807096513.db2.gz JZKJQHOHXZMKBY-MRXNPFEDSA-N 2 1 273.355 2.478 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)C(C)(C)[NH3+])cc1Cl ZINC001119381359 815102002 /nfs/dbraw/zinc/10/20/02/815102002.db2.gz RZBWVVIRCSJEQF-UHFFFAOYSA-N 2 1 269.776 2.077 20 0 CEADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171447769 815128920 /nfs/dbraw/zinc/12/89/20/815128920.db2.gz GRMSYOJKBBJQRB-LLVKDONJSA-N 2 1 254.324 2.149 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2CCCC[C@@]23CC[NH2+]C3)CCO1 ZINC001235124342 807781135 /nfs/dbraw/zinc/78/11/35/807781135.db2.gz MTUYTYXPFHJPTG-HOCLYGCPSA-N 2 1 266.429 2.410 20 0 CEADMP CCOC(=O)c1ccc(CCC[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001205171471 807906974 /nfs/dbraw/zinc/90/69/74/807906974.db2.gz TWDNMDHCRKSEHA-CZUORRHYSA-N 2 1 290.407 2.217 20 0 CEADMP CCOC(=O)c1ccc(CCC[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001205171471 807906979 /nfs/dbraw/zinc/90/69/79/807906979.db2.gz TWDNMDHCRKSEHA-CZUORRHYSA-N 2 1 290.407 2.217 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2[C@H](C)COC[C@H]2C)C[C@H](C)O1 ZINC000925438754 807942980 /nfs/dbraw/zinc/94/29/80/807942980.db2.gz DUIDVMZEAKBDAC-FPCVCCKLSA-N 2 1 298.471 2.136 20 0 CEADMP C[C@H]([NH3+])CN1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001236213156 808016683 /nfs/dbraw/zinc/01/66/83/808016683.db2.gz NTFFUMFNAIHKGD-ZDUSSCGKSA-N 2 1 279.403 2.069 20 0 CEADMP Cc1cnc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(C)c1 ZINC001236321368 808068345 /nfs/dbraw/zinc/06/83/45/808068345.db2.gz LUBGZOGDSIYWQJ-GASCZTMLSA-N 2 1 259.397 2.130 20 0 CEADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnc(Cl)cn1)CC2 ZINC000691936321 808269782 /nfs/dbraw/zinc/26/97/82/808269782.db2.gz IFIHXGQYBZGFNV-UHFFFAOYSA-N 2 1 294.830 2.438 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC)C1 ZINC001032119789 808294357 /nfs/dbraw/zinc/29/43/57/808294357.db2.gz ZHFHBHSVPKWCHD-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120129869 815199781 /nfs/dbraw/zinc/19/97/81/815199781.db2.gz PVRYYWXDYYSVFN-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H](O)CC2)CC1(C)C ZINC001171631510 815201599 /nfs/dbraw/zinc/20/15/99/815201599.db2.gz KIEFAKKTAGUBQT-AWEZNQCLSA-N 2 1 268.445 2.485 20 0 CEADMP CN(C)[C@H]1CC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171628838 815200204 /nfs/dbraw/zinc/20/02/04/815200204.db2.gz IOUSFIPLNFZVAX-ZDUSSCGKSA-N 2 1 267.461 2.274 20 0 CEADMP CN(C)[C@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171628838 815200209 /nfs/dbraw/zinc/20/02/09/815200209.db2.gz IOUSFIPLNFZVAX-ZDUSSCGKSA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCC1CC1 ZINC001272774840 808649166 /nfs/dbraw/zinc/64/91/66/808649166.db2.gz ZNCMYWMOHMVYIQ-GDBMZVCRSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H]1C[C@H](N2C[C@@H]3C[C@H]2C[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC001171758908 815226133 /nfs/dbraw/zinc/22/61/33/815226133.db2.gz CMCRBHXYKFZTBB-UBDQQSCGSA-N 2 1 285.435 2.038 20 0 CEADMP C[C@@H]1C[C@H](N2C[C@@H]3C[C@H]2C[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171758908 815226137 /nfs/dbraw/zinc/22/61/37/815226137.db2.gz CMCRBHXYKFZTBB-UBDQQSCGSA-N 2 1 285.435 2.038 20 0 CEADMP C[C@@H]1C[C@H](N2C[C@@H]3C[C@H]2C[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171758908 815226142 /nfs/dbraw/zinc/22/61/42/815226142.db2.gz CMCRBHXYKFZTBB-UBDQQSCGSA-N 2 1 285.435 2.038 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171776097 815230834 /nfs/dbraw/zinc/23/08/34/815230834.db2.gz OIGYEIITCOAFSD-UONOGXRCSA-N 2 1 262.372 2.367 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H]1C[C@H](OC)C12CCC2)C(C)C ZINC000453090367 809036603 /nfs/dbraw/zinc/03/66/03/809036603.db2.gz KKJQBAXKVRGSPC-KGLIPLIRSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H]1C[C@H](OC)C12CCC2)C(C)C ZINC000453090367 809036608 /nfs/dbraw/zinc/03/66/08/809036608.db2.gz KKJQBAXKVRGSPC-KGLIPLIRSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168706241 809052032 /nfs/dbraw/zinc/05/20/32/809052032.db2.gz ZXWKJORMMDHFST-ZYHUDNBSSA-N 2 1 252.789 2.334 20 0 CEADMP Cc1cc(Br)cnc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205047147 809075767 /nfs/dbraw/zinc/07/57/67/809075767.db2.gz PIFZWBTTYSEESB-UHFFFAOYSA-N 2 1 298.228 2.323 20 0 CEADMP C[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)Oc1ccccc1 ZINC000700363101 809301158 /nfs/dbraw/zinc/30/11/58/809301158.db2.gz NXXVKFXTCVEMOT-IJVGXZNQSA-N 2 1 272.392 2.040 20 0 CEADMP CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033467345 809311579 /nfs/dbraw/zinc/31/15/79/809311579.db2.gz NICVKADUPHGOBL-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP COc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1F ZINC000700455437 809318438 /nfs/dbraw/zinc/31/84/38/809318438.db2.gz RCOSNHRIPYEJLF-NSHDSACASA-N 2 1 254.349 2.264 20 0 CEADMP CCOC(=O)CC(C)(C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099424 815281985 /nfs/dbraw/zinc/28/19/85/815281985.db2.gz KZELTACSMHZWFC-BTTYYORXSA-N 2 1 282.428 2.323 20 0 CEADMP CCOC(=O)CC(C)(C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099424 815281989 /nfs/dbraw/zinc/28/19/89/815281989.db2.gz KZELTACSMHZWFC-BTTYYORXSA-N 2 1 282.428 2.323 20 0 CEADMP COC(=O)C[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172127965 815287655 /nfs/dbraw/zinc/28/76/55/815287655.db2.gz MIDHRTBEFWSQRK-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)C[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172127965 815287657 /nfs/dbraw/zinc/28/76/57/815287657.db2.gz MIDHRTBEFWSQRK-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)C[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172127965 815287659 /nfs/dbraw/zinc/28/76/59/815287659.db2.gz MIDHRTBEFWSQRK-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)C[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172127965 815287663 /nfs/dbraw/zinc/28/76/63/815287663.db2.gz MIDHRTBEFWSQRK-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000701035734 809382433 /nfs/dbraw/zinc/38/24/33/809382433.db2.gz QOIPLNRTXXSIHC-FFRQTHGESA-N 2 1 252.402 2.013 20 0 CEADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033926477 809450480 /nfs/dbraw/zinc/45/04/80/809450480.db2.gz CWACNZJAGLZTAI-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CC(C)C)C1 ZINC001033926477 809450484 /nfs/dbraw/zinc/45/04/84/809450484.db2.gz CWACNZJAGLZTAI-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CC(C)C)C1 ZINC001033926477 809450489 /nfs/dbraw/zinc/45/04/89/809450489.db2.gz CWACNZJAGLZTAI-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)CC(C)C ZINC001128783568 809457209 /nfs/dbraw/zinc/45/72/09/809457209.db2.gz ICUGEWVZHJKZRB-HOTGVXAUSA-N 2 1 297.487 2.249 20 0 CEADMP C[NH2+]Cc1ccc2c(ccn2C2C[C@@H]3COC[C@H](C2)[N@H+]3C)c1 ZINC001172136260 815292045 /nfs/dbraw/zinc/29/20/45/815292045.db2.gz ZQTVARVJFXUSFK-ALOPSCKCSA-N 2 1 299.418 2.395 20 0 CEADMP COC(=O)CCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101818 815294014 /nfs/dbraw/zinc/29/40/14/815294014.db2.gz BLKQZKXADQWQNL-QKDCVEJESA-N 2 1 282.428 2.325 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1ccc(O)cc1)C2 ZINC001172107903 815296400 /nfs/dbraw/zinc/29/64/00/815296400.db2.gz LLACQJMOPQAKRP-IVSAIRAKSA-N 2 1 290.407 2.031 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOc1ccccn1)C2 ZINC001172104550 815296914 /nfs/dbraw/zinc/29/69/14/815296914.db2.gz CRLZBTJPVFHMTG-QDMKHBRRSA-N 2 1 275.396 2.065 20 0 CEADMP C[NH+](C)CC(C)(C)CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105942 815297053 /nfs/dbraw/zinc/29/70/53/815297053.db2.gz LMBJFZVSLZWCCP-QKDCVEJESA-N 2 1 267.461 2.179 20 0 CEADMP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172109078 815297831 /nfs/dbraw/zinc/29/78/31/815297831.db2.gz GLJSHWXLDNQTOY-FHORWPOSSA-N 3 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172109078 815297835 /nfs/dbraw/zinc/29/78/35/815297835.db2.gz GLJSHWXLDNQTOY-FHORWPOSSA-N 3 1 279.472 2.464 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC001172108860 815297944 /nfs/dbraw/zinc/29/79/44/815297944.db2.gz HADDAGWDRXKEOG-MUJYYYPQSA-N 2 1 289.423 2.238 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)C(C)(C)O)C2 ZINC001172109488 815298040 /nfs/dbraw/zinc/29/80/40/815298040.db2.gz DLGNQLDQPNYCAP-XYYAHUGASA-N 2 1 254.418 2.141 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)C(C)(C)O)C2 ZINC001172109488 815298045 /nfs/dbraw/zinc/29/80/45/815298045.db2.gz DLGNQLDQPNYCAP-XYYAHUGASA-N 2 1 254.418 2.141 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccncc1F)C2 ZINC001172108309 815299117 /nfs/dbraw/zinc/29/91/17/815299117.db2.gz UDLMKVSETHKUNT-ZSOGYDGISA-N 2 1 263.360 2.326 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccncc1F)C2 ZINC001172108309 815299120 /nfs/dbraw/zinc/29/91/20/815299120.db2.gz UDLMKVSETHKUNT-ZSOGYDGISA-N 2 1 263.360 2.326 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cccc3cccnc31)C2 ZINC000703557556 809661714 /nfs/dbraw/zinc/66/17/14/809661714.db2.gz ASUQDHDJYGEGCL-DOTOQJQBSA-N 2 1 267.376 2.276 20 0 CEADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@]1(C)O ZINC001172117469 815307671 /nfs/dbraw/zinc/30/76/71/815307671.db2.gz HFLUGSSUHMUWMP-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@]1(C)O ZINC001172117469 815307677 /nfs/dbraw/zinc/30/76/77/815307677.db2.gz HFLUGSSUHMUWMP-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@]1(C)O ZINC001172117469 815307683 /nfs/dbraw/zinc/30/76/83/815307683.db2.gz HFLUGSSUHMUWMP-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@]1(C)O ZINC001172117469 815307690 /nfs/dbraw/zinc/30/76/90/815307690.db2.gz HFLUGSSUHMUWMP-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP COCC[NH+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121950 815313062 /nfs/dbraw/zinc/31/30/62/815313062.db2.gz NWDBHGREBBRVJW-FICVDOATSA-N 2 1 254.418 2.359 20 0 CEADMP COCC[NH+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121950 815313070 /nfs/dbraw/zinc/31/30/70/815313070.db2.gz NWDBHGREBBRVJW-FICVDOATSA-N 2 1 254.418 2.359 20 0 CEADMP COCC[N@@H+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121950 815313056 /nfs/dbraw/zinc/31/30/56/815313056.db2.gz NWDBHGREBBRVJW-FICVDOATSA-N 2 1 254.418 2.359 20 0 CEADMP C[NH+](C)[C@@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121531 815312390 /nfs/dbraw/zinc/31/23/90/815312390.db2.gz KLPACMRKFLZMCD-QXSJWSMHSA-N 2 1 265.445 2.028 20 0 CEADMP COCC[N@H+](C(C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121950 815313049 /nfs/dbraw/zinc/31/30/49/815313049.db2.gz NWDBHGREBBRVJW-FICVDOATSA-N 2 1 254.418 2.359 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@]3(CCO3)C1)C2 ZINC001172124101 815314267 /nfs/dbraw/zinc/31/42/67/815314267.db2.gz JJZDTIJMSVWMBC-QKPAOTATSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@]3(CCO3)C1)C2 ZINC001172124101 815314274 /nfs/dbraw/zinc/31/42/74/815314274.db2.gz JJZDTIJMSVWMBC-QKPAOTATSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@]3(CCO3)C1)C2 ZINC001172124101 815314281 /nfs/dbraw/zinc/31/42/81/815314281.db2.gz JJZDTIJMSVWMBC-QKPAOTATSA-N 2 1 264.413 2.257 20 0 CEADMP C(C[C@@H]1CCSC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000704897325 809763561 /nfs/dbraw/zinc/76/35/61/809763561.db2.gz OYTVCBQCTRZDSW-GFCCVEGCSA-N 2 1 254.443 2.346 20 0 CEADMP COC(=O)[C@@H]1C[C@H](C)C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172124334 815314884 /nfs/dbraw/zinc/31/48/84/815314884.db2.gz KQTNGOOWBYTNFF-ZVDSWSACSA-N 2 1 294.439 2.133 20 0 CEADMP COC(=O)[C@@H]1C[C@H](C)C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172124334 815314890 /nfs/dbraw/zinc/31/48/90/815314890.db2.gz KQTNGOOWBYTNFF-ZVDSWSACSA-N 2 1 294.439 2.133 20 0 CEADMP COC(=O)[C@@H]1C[C@H](C)C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172124334 815314896 /nfs/dbraw/zinc/31/48/96/815314896.db2.gz KQTNGOOWBYTNFF-ZVDSWSACSA-N 2 1 294.439 2.133 20 0 CEADMP COC(=O)[C@@H]1C[C@H](C)C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172124334 815314903 /nfs/dbraw/zinc/31/49/03/815314903.db2.gz KQTNGOOWBYTNFF-ZVDSWSACSA-N 2 1 294.439 2.133 20 0 CEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H]1CCC[NH+](C)C1 ZINC000705137146 809769928 /nfs/dbraw/zinc/76/99/28/809769928.db2.gz SMWZBNISZXTKAZ-YNBOMUFVSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H]1CCC[N@H+](C)C1 ZINC000705137146 809769930 /nfs/dbraw/zinc/76/99/30/809769930.db2.gz SMWZBNISZXTKAZ-YNBOMUFVSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H]1CCC[N@@H+](C)C1 ZINC000705137146 809769932 /nfs/dbraw/zinc/76/99/32/809769932.db2.gz SMWZBNISZXTKAZ-YNBOMUFVSA-N 3 1 279.472 2.181 20 0 CEADMP CN1CCC[C@H](C[N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000705137146 809769936 /nfs/dbraw/zinc/76/99/36/809769936.db2.gz SMWZBNISZXTKAZ-YNBOMUFVSA-N 2 1 279.472 2.181 20 0 CEADMP CN1CCC[C@H](C[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000705137146 809769940 /nfs/dbraw/zinc/76/99/40/809769940.db2.gz SMWZBNISZXTKAZ-YNBOMUFVSA-N 2 1 279.472 2.181 20 0 CEADMP Cc1ncccc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000705527018 809783363 /nfs/dbraw/zinc/78/33/63/809783363.db2.gz FLILAFASALSROP-QLFBSQMISA-N 2 1 259.397 2.256 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708850049 809936764 /nfs/dbraw/zinc/93/67/64/809936764.db2.gz NCIPBZRUMSPNLR-SJORKVTESA-N 2 1 280.456 2.345 20 0 CEADMP CC(C)[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000709043877 809940682 /nfs/dbraw/zinc/94/06/82/809940682.db2.gz SDZGEPFUPJCASQ-WTXIUTQJSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)C[C@H]2CCOC2)C1 ZINC000709670576 809950352 /nfs/dbraw/zinc/95/03/52/809950352.db2.gz BEQDMVDCCLDWKL-RBSFLKMASA-N 2 1 254.418 2.121 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC[C@](C)(C[NH3+])C2)C(C)(C)O1 ZINC000709702964 809954130 /nfs/dbraw/zinc/95/41/30/809954130.db2.gz QINRFFUTLWJGNA-IUODEOHRSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000709829290 809971272 /nfs/dbraw/zinc/97/12/72/809971272.db2.gz UHJZHCZUPZSIRQ-SJORKVTESA-N 2 1 274.408 2.450 20 0 CEADMP CCc1cc(N(C)CCCCCC[NH3+])nc(C)[nH+]1 ZINC000710692259 809989126 /nfs/dbraw/zinc/98/91/26/809989126.db2.gz DCWMHCUXJMNTQV-UHFFFAOYSA-N 2 1 250.390 2.303 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(C)c1 ZINC000923505961 810103784 /nfs/dbraw/zinc/10/37/84/810103784.db2.gz DPDIMCRSBMACGE-GJZGRUSLSA-N 2 1 289.423 2.159 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)[C@H](C)C1 ZINC001172226448 815341137 /nfs/dbraw/zinc/34/11/37/815341137.db2.gz ZYUJNEVPOWWAPJ-MOTUXRJWSA-N 2 1 266.429 2.405 20 0 CEADMP c1[nH+]cn(C2C[C@H]3CC[C@@H](C2)O3)c1C1CC[NH2+]CC1 ZINC001172232108 815344853 /nfs/dbraw/zinc/34/48/53/815344853.db2.gz ZFOSNMJKORYRDT-AGUYFDCRSA-N 2 1 261.369 2.233 20 0 CEADMP COCCC[NH+]1CCC([NH2+]Cc2ccnc(Cl)c2)CC1 ZINC001172243134 815355104 /nfs/dbraw/zinc/35/51/04/815355104.db2.gz BQEOYJJJAXQMBB-UHFFFAOYSA-N 2 1 297.830 2.326 20 0 CEADMP COCCC[NH+]1CCC([NH+]2CCC(C)(F)CC2)CC1 ZINC001172252787 815360210 /nfs/dbraw/zinc/36/02/10/815360210.db2.gz UVJCNUPZYCJXQY-UHFFFAOYSA-N 2 1 272.408 2.311 20 0 CEADMP COCCCN1CCC([N@@H+](CC2CC2)C2CC2)CC1 ZINC001172253974 815360604 /nfs/dbraw/zinc/36/06/04/815360604.db2.gz FKEOHEQLUVPWPU-UHFFFAOYSA-N 2 1 266.429 2.362 20 0 CEADMP COCCC[NH+]1CCC([N@H+](CC2CC2)C2CC2)CC1 ZINC001172253974 815360607 /nfs/dbraw/zinc/36/06/07/815360607.db2.gz FKEOHEQLUVPWPU-UHFFFAOYSA-N 2 1 266.429 2.362 20 0 CEADMP COCCC[NH+]1CCC([N@@H+](CC2CC2)C2CC2)CC1 ZINC001172253974 815360612 /nfs/dbraw/zinc/36/06/12/815360612.db2.gz FKEOHEQLUVPWPU-UHFFFAOYSA-N 2 1 266.429 2.362 20 0 CEADMP CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001080998908 810320280 /nfs/dbraw/zinc/32/02/80/810320280.db2.gz SOHQCHOAVXRIMQ-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001080998908 810320287 /nfs/dbraw/zinc/32/02/87/810320287.db2.gz SOHQCHOAVXRIMQ-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001017266658 810503354 /nfs/dbraw/zinc/50/33/54/810503354.db2.gz MDYJESWQCYEHRR-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001017266658 810503358 /nfs/dbraw/zinc/50/33/58/810503358.db2.gz MDYJESWQCYEHRR-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001017266658 810503363 /nfs/dbraw/zinc/50/33/63/810503363.db2.gz MDYJESWQCYEHRR-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC001172285958 815378142 /nfs/dbraw/zinc/37/81/42/815378142.db2.gz WHWBLPJCRHCQBZ-AWEZNQCLSA-N 2 1 289.423 2.496 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000691408950 810719601 /nfs/dbraw/zinc/71/96/01/810719601.db2.gz YFNSYHDJCPOOGC-BRWVUGGUSA-N 2 1 280.456 2.344 20 0 CEADMP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001085332095 810724639 /nfs/dbraw/zinc/72/46/39/810724639.db2.gz KVIRDBRBIGYUTD-ARFHVFGLSA-N 2 1 295.471 2.001 20 0 CEADMP CC[C@@H](C)OCC[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001172334757 815393684 /nfs/dbraw/zinc/39/36/84/815393684.db2.gz IKUDMVIOLKDHNJ-LSDHHAIUSA-N 2 1 286.460 2.281 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCS[C@@H](C(F)(F)F)C2)C1 ZINC000721387379 810800103 /nfs/dbraw/zinc/80/01/03/810800103.db2.gz AYEQUPFJMJIPGC-IVZWLZJFSA-N 2 1 268.348 2.094 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+]C[C@H]2CCN2Cc2ccccc2)CC1 ZINC000716241111 810772636 /nfs/dbraw/zinc/77/26/36/810772636.db2.gz YFJXZSQYZSNLDE-ZWKOTPCHSA-N 2 1 287.451 2.335 20 0 CEADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172359468 815402660 /nfs/dbraw/zinc/40/26/60/815402660.db2.gz NEFYGZFYLPQIAB-AAVRWANBSA-N 2 1 270.417 2.071 20 0 CEADMP Cc1c[nH+]c(N[C@H]2CCC[C@H]([NH3+])C2)nc1NC(C)C ZINC001154977553 810873735 /nfs/dbraw/zinc/87/37/35/810873735.db2.gz OIHDAQOICZYPHN-RYUDHWBXSA-N 2 1 263.389 2.287 20 0 CEADMP COC(=O)c1c(C)cc(C)[nH+]c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001154986383 810883900 /nfs/dbraw/zinc/88/39/00/810883900.db2.gz SDEZGTWNQCXKBI-VXGBXAGGSA-N 2 1 277.368 2.167 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC(C)C ZINC001085987977 810992463 /nfs/dbraw/zinc/99/24/63/810992463.db2.gz SYOUCAKGGSGCBU-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC(C)C ZINC001085987977 810992467 /nfs/dbraw/zinc/99/24/67/810992467.db2.gz SYOUCAKGGSGCBU-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC(C)C ZINC001085987977 810992468 /nfs/dbraw/zinc/99/24/68/810992468.db2.gz SYOUCAKGGSGCBU-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086175333 811052069 /nfs/dbraw/zinc/05/20/69/811052069.db2.gz RKPZRTXXITZWNY-OAGGEKHMSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C(C)C)[NH+](C)C ZINC001039898277 811067100 /nfs/dbraw/zinc/06/71/00/811067100.db2.gz BULFFUIPLLMZTI-OWCLPIDISA-N 2 1 295.471 2.046 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C/C=C\CNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000381910665 811101657 /nfs/dbraw/zinc/10/16/57/811101657.db2.gz ZTNBNQFKXNWTFK-WJDZFGBRSA-N 2 1 297.443 2.140 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1CO[C@H](C)[C@H]1C)[NH+]1CCCC1 ZINC000405655995 811103254 /nfs/dbraw/zinc/10/32/54/811103254.db2.gz MTSLJELUDJIOKS-TUVASFSCSA-N 2 1 254.418 2.120 20 0 CEADMP CCOCC[C@@H](C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001172434080 815422788 /nfs/dbraw/zinc/42/27/88/815422788.db2.gz UWPUWKOQWMTJDG-OAHLLOKOSA-N 2 1 298.471 2.377 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCc2ccsc2[C@H]1C ZINC000712302385 811182476 /nfs/dbraw/zinc/18/24/76/811182476.db2.gz XODBQWMRJGQMCM-TZMCWYRMSA-N 2 1 282.453 2.368 20 0 CEADMP CC(C)COCC[C@H](C)[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001172479306 815432499 /nfs/dbraw/zinc/43/24/99/815432499.db2.gz CEOGTVUDXDYHEH-ARFHVFGLSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3nccnc23)CCC[C@@H]1C[NH3+] ZINC001205995551 811290905 /nfs/dbraw/zinc/29/09/05/811290905.db2.gz PADXJOALRNGYFA-ZIAGYGMSSA-N 2 1 284.407 2.437 20 0 CEADMP CC(C)OCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[N@@H+](C1)[C@@H]2C ZINC001172443468 815438373 /nfs/dbraw/zinc/43/83/73/815438373.db2.gz PRCIYZQFHYDKLZ-KBUPBQIOSA-N 2 1 254.418 2.262 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000382183164 811362806 /nfs/dbraw/zinc/36/28/06/811362806.db2.gz MDQPYTYACJEBLZ-MRXNPFEDSA-N 2 1 260.381 2.059 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC[C@@H]1CCCCO1)C2 ZINC001169092695 811363669 /nfs/dbraw/zinc/36/36/69/811363669.db2.gz CKRWVCZQUJURJO-XGUBFFRZSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](CCO)c1ccccc1)C2 ZINC001169092739 811364432 /nfs/dbraw/zinc/36/44/32/811364432.db2.gz CMTGCDAWOKWOSI-WCXIOVBPSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cccc(O)c1)C2 ZINC001169093872 811364985 /nfs/dbraw/zinc/36/49/85/811364985.db2.gz JQRPYTMNWBTMSR-QDMKHBRRSA-N 2 1 260.381 2.150 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cccc(O)c1)C2 ZINC001169093876 811367049 /nfs/dbraw/zinc/36/70/49/811367049.db2.gz JQRPYTMNWBTMSR-QKDCVEJESA-N 2 1 260.381 2.150 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCC[NH+]1CCCCCC1)C2 ZINC001169094567 811367093 /nfs/dbraw/zinc/36/70/93/811367093.db2.gz MQXIIONGLLHPRL-MUJYYYPQSA-N 2 1 265.445 2.077 20 0 CEADMP CO[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169099916 811373991 /nfs/dbraw/zinc/37/39/91/811373991.db2.gz WRZHYIYSNMHALQ-JYTFJORESA-N 2 1 252.402 2.159 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)C2 ZINC001169100661 811374618 /nfs/dbraw/zinc/37/46/18/811374618.db2.gz KZBBYKUDFUIVSR-FZKCQIBNSA-N 2 1 266.429 2.142 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC001169079145 811378786 /nfs/dbraw/zinc/37/87/86/811378786.db2.gz JCRBXWFYNLZYOT-OSYLJGHBSA-N 2 1 256.393 2.369 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CCSCC1)C2 ZINC001169119811 811386821 /nfs/dbraw/zinc/38/68/21/811386821.db2.gz WNIKPJCZJPHIAH-BTTYYORXSA-N 2 1 254.443 2.344 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCC[C@]1(C)O ZINC001169125636 811392542 /nfs/dbraw/zinc/39/25/42/811392542.db2.gz KGWLFBNUMWABJL-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC[C@]1(C)O ZINC001169125636 811392554 /nfs/dbraw/zinc/39/25/54/811392554.db2.gz KGWLFBNUMWABJL-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC[C@]1(C)O ZINC001169125636 811392565 /nfs/dbraw/zinc/39/25/65/811392565.db2.gz KGWLFBNUMWABJL-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC1CCC(O)CC1)C2 ZINC001169108874 811403944 /nfs/dbraw/zinc/40/39/44/811403944.db2.gz DPRKGGRGCDIOJF-ADHHOBDDSA-N 2 1 266.429 2.142 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC(C)(C)N(O)C1(C)C)C2 ZINC001169108936 811404699 /nfs/dbraw/zinc/40/46/99/811404699.db2.gz WQVKOFKUYORMNZ-FQUUOJAGSA-N 2 1 281.444 2.222 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169108892 811404753 /nfs/dbraw/zinc/40/47/53/811404753.db2.gz DVVIEKCCAXGKPX-QCODTGAPSA-N 2 1 265.445 2.074 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169108892 811404758 /nfs/dbraw/zinc/40/47/58/811404758.db2.gz DVVIEKCCAXGKPX-QCODTGAPSA-N 3 1 265.445 2.074 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169108892 811404760 /nfs/dbraw/zinc/40/47/60/811404760.db2.gz DVVIEKCCAXGKPX-QCODTGAPSA-N 3 1 265.445 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CC[NH+](CC3CCC3)C1)C2 ZINC001169113860 811405447 /nfs/dbraw/zinc/40/54/47/811405447.db2.gz VCEULTOVSUSQAA-LUKYLMHMSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001169113860 811405451 /nfs/dbraw/zinc/40/54/51/811405451.db2.gz VCEULTOVSUSQAA-LUKYLMHMSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001169113860 811405454 /nfs/dbraw/zinc/40/54/54/811405454.db2.gz VCEULTOVSUSQAA-LUKYLMHMSA-N 2 1 277.456 2.076 20 0 CEADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1O ZINC001169115010 811405920 /nfs/dbraw/zinc/40/59/20/811405920.db2.gz GODWRDCBZOWSBD-BTTYYORXSA-N 2 1 276.380 2.116 20 0 CEADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1O ZINC001169115010 811405923 /nfs/dbraw/zinc/40/59/23/811405923.db2.gz GODWRDCBZOWSBD-BTTYYORXSA-N 2 1 276.380 2.116 20 0 CEADMP CN(C)c1nc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc[nH+]1 ZINC001169140991 811406162 /nfs/dbraw/zinc/40/61/62/811406162.db2.gz IFGYHTCRYWLSGY-BLLLJJGKSA-N 2 1 291.443 2.498 20 0 CEADMP Cc1nc(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)no1 ZINC001169143193 811407624 /nfs/dbraw/zinc/40/76/24/811407624.db2.gz YWMMMPDVBBCJIR-FICVDOATSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nc(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)no1 ZINC001169143193 811407634 /nfs/dbraw/zinc/40/76/34/811407634.db2.gz YWMMMPDVBBCJIR-FICVDOATSA-N 2 1 290.411 2.183 20 0 CEADMP CCCO[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169141401 811407883 /nfs/dbraw/zinc/40/78/83/811407883.db2.gz QHPOYEZAMIMZFJ-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP CCCO[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169141401 811407888 /nfs/dbraw/zinc/40/78/88/811407888.db2.gz QHPOYEZAMIMZFJ-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP CCCO[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169141401 811407892 /nfs/dbraw/zinc/40/78/92/811407892.db2.gz QHPOYEZAMIMZFJ-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)CCOCC(C)C ZINC001172458037 815445820 /nfs/dbraw/zinc/44/58/20/815445820.db2.gz VTDZALWQXULSKZ-GFCCVEGCSA-N 2 1 253.390 2.316 20 0 CEADMP Cc1ncccc1CN(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155021 811415096 /nfs/dbraw/zinc/41/50/96/811415096.db2.gz WCHLQHUSWRPXCZ-ZSHCYNCHSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1ncccc1C[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155021 811415103 /nfs/dbraw/zinc/41/51/03/811415103.db2.gz WCHLQHUSWRPXCZ-ZSHCYNCHSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1ncccc1C[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155021 811415112 /nfs/dbraw/zinc/41/51/12/811415112.db2.gz WCHLQHUSWRPXCZ-ZSHCYNCHSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1ncccc1C[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155021 811415121 /nfs/dbraw/zinc/41/51/21/811415121.db2.gz WCHLQHUSWRPXCZ-ZSHCYNCHSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1ncccc1C[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155021 811415128 /nfs/dbraw/zinc/41/51/28/811415128.db2.gz WCHLQHUSWRPXCZ-ZSHCYNCHSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1nnc([C@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)o1 ZINC001169155243 811416779 /nfs/dbraw/zinc/41/67/79/811416779.db2.gz LPENVAHXDISTQC-BYNSBNAKSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nnc([C@H]2CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)o1 ZINC001169155243 811416783 /nfs/dbraw/zinc/41/67/83/811416783.db2.gz LPENVAHXDISTQC-BYNSBNAKSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nnc([C@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)o1 ZINC001169155243 811416787 /nfs/dbraw/zinc/41/67/87/811416787.db2.gz LPENVAHXDISTQC-BYNSBNAKSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nnc([C@@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)o1 ZINC001169155244 811417504 /nfs/dbraw/zinc/41/75/04/811417504.db2.gz LPENVAHXDISTQC-KBXIAJHMSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nnc([C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)o1 ZINC001169155244 811417509 /nfs/dbraw/zinc/41/75/09/811417509.db2.gz LPENVAHXDISTQC-KBXIAJHMSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nnc([C@@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)o1 ZINC001169155244 811417514 /nfs/dbraw/zinc/41/75/14/811417514.db2.gz LPENVAHXDISTQC-KBXIAJHMSA-N 2 1 290.411 2.183 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3ccncc23)CCC[C@H]1C[NH3+] ZINC001206003947 811429144 /nfs/dbraw/zinc/42/91/44/811429144.db2.gz NXSHELDPJLJMND-OLZOCXBDSA-N 2 1 272.396 2.370 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnc3cc[nH]cc2-3)CCC[C@H]1C[NH3+] ZINC001206003947 811429150 /nfs/dbraw/zinc/42/91/50/811429150.db2.gz NXSHELDPJLJMND-OLZOCXBDSA-N 2 1 272.396 2.370 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc3cc[nH]cc2-3)CCC[C@H]1C[NH3+] ZINC001206003947 811429155 /nfs/dbraw/zinc/42/91/55/811429155.db2.gz NXSHELDPJLJMND-OLZOCXBDSA-N 3 1 272.396 2.370 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3[C@@H]2O)CC1 ZINC001169229566 811441852 /nfs/dbraw/zinc/44/18/52/811441852.db2.gz BIHTWCXXIVEPMC-SJORKVTESA-N 2 1 274.408 2.109 20 0 CEADMP CCN1CCC([NH2+]CCCC2CC[NH+](C)CC2)CC1 ZINC001169238666 811456686 /nfs/dbraw/zinc/45/66/86/811456686.db2.gz KSZMHBWMTBQKBF-UHFFFAOYSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@H]([NH3+])c1ccn(-c2ccc([C@H]3CC[N@@H+](C)C3)cc2)n1 ZINC001169237550 811456737 /nfs/dbraw/zinc/45/67/37/811456737.db2.gz NZYFRQGSEBXUHG-JSGCOSHPSA-N 2 1 270.380 2.311 20 0 CEADMP C[C@H]([NH3+])c1ccn(-c2ccc([C@@H]3CC[N@@H+](C)C3)cc2)n1 ZINC001169237549 811457082 /nfs/dbraw/zinc/45/70/82/811457082.db2.gz NZYFRQGSEBXUHG-GXTWGEPZSA-N 2 1 270.380 2.311 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)nc2F)CCC[C@@H]1C[NH3+] ZINC001206013095 811576363 /nfs/dbraw/zinc/57/63/63/811576363.db2.gz PEURIYXKWIQYHW-QWHCGFSZSA-N 2 1 294.418 2.094 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3ncc(Cl)cc23)CC[C@H]1F ZINC001206165209 815458970 /nfs/dbraw/zinc/45/89/70/815458970.db2.gz MLPKTHKHYUIIDG-OLZOCXBDSA-N 2 1 296.777 2.478 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)CC[C@H]1F ZINC001206165209 815458975 /nfs/dbraw/zinc/45/89/75/815458975.db2.gz MLPKTHKHYUIIDG-OLZOCXBDSA-N 2 1 296.777 2.478 20 0 CEADMP C[C@H]1C[N@H+](Cc2cc(F)c(O)cc2F)CCC[C@@H]1C[NH3+] ZINC001206013264 811590877 /nfs/dbraw/zinc/59/08/77/811590877.db2.gz QXKOTVDVTKILLJ-WDEREUQCSA-N 2 1 284.350 2.477 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(F)c(O)cc2F)CCC[C@@H]1C[NH3+] ZINC001206013264 811590882 /nfs/dbraw/zinc/59/08/82/811590882.db2.gz QXKOTVDVTKILLJ-WDEREUQCSA-N 2 1 284.350 2.477 20 0 CEADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CCCN(C(C)=O)C2)CC1 ZINC001169634177 811598423 /nfs/dbraw/zinc/59/84/23/811598423.db2.gz KUGIFEKSMDQXLO-KRWDZBQOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001045390620 811606192 /nfs/dbraw/zinc/60/61/92/811606192.db2.gz SDADUMMWZMENEA-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)CCC(C)(C)Nc1cc[nH+]c(N2CCCC2)n1 ZINC001169715941 811639620 /nfs/dbraw/zinc/63/96/20/811639620.db2.gz LNTPAUMQUNYGGL-UHFFFAOYSA-N 2 1 277.416 2.219 20 0 CEADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172593641 815466949 /nfs/dbraw/zinc/46/69/49/815466949.db2.gz YMAJAORWLHYXAA-GJZGRUSLSA-N 2 1 284.444 2.430 20 0 CEADMP c1cc2cc[nH+]c(NCC34CC[NH+](CC3)CC4)c2[nH]1 ZINC001169801759 811665961 /nfs/dbraw/zinc/66/59/61/811665961.db2.gz HXOQPXYNZRNUDJ-UHFFFAOYSA-N 2 1 256.353 2.461 20 0 CEADMP CC[C@@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CC)C2)C1)[NH+](C)C ZINC001045964986 811670623 /nfs/dbraw/zinc/67/06/23/811670623.db2.gz BASOUUDRVRIRMY-DOTOQJQBSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(O)cc(F)c2)CCC[C@@H]1C[NH3+] ZINC001206024378 811711559 /nfs/dbraw/zinc/71/15/59/811711559.db2.gz JDMOSWLGQSUOHQ-DGCLKSJQSA-N 2 1 266.360 2.338 20 0 CEADMP CCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046317138 811736178 /nfs/dbraw/zinc/73/61/78/811736178.db2.gz SGGWWTIECUSIAG-RDJZCZTQSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046317138 811736185 /nfs/dbraw/zinc/73/61/85/811736185.db2.gz SGGWWTIECUSIAG-RDJZCZTQSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046317138 811736192 /nfs/dbraw/zinc/73/61/92/811736192.db2.gz SGGWWTIECUSIAG-RDJZCZTQSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108832628 811771627 /nfs/dbraw/zinc/77/16/27/811771627.db2.gz VSNZQMWWIGTOSO-JYJNAYRXSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)CCO1 ZINC001204090839 815476643 /nfs/dbraw/zinc/47/66/43/815476643.db2.gz YJVDCJUZADTDIT-GCSSGZNBSA-N 2 1 266.429 2.120 20 0 CEADMP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001048610293 811994980 /nfs/dbraw/zinc/99/49/80/811994980.db2.gz FQNHHGLCYNQAJX-BZUAXINKSA-N 2 1 295.471 2.003 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001113032926 812149507 /nfs/dbraw/zinc/14/95/07/812149507.db2.gz PBNLWKQOWZHGME-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001113032926 812149511 /nfs/dbraw/zinc/14/95/11/812149511.db2.gz PBNLWKQOWZHGME-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CCC(CC)C[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001113035106 812149600 /nfs/dbraw/zinc/14/96/00/812149600.db2.gz KEURHMPBDXZREJ-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2[NH3+])C1 ZINC001170126280 812176275 /nfs/dbraw/zinc/17/62/75/812176275.db2.gz UVHOYXCVNJGZOM-RQJABVFESA-N 2 1 297.443 2.101 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CCC(=O)OC(C)C)C[C@@H]2C1 ZINC001172763337 815511433 /nfs/dbraw/zinc/51/14/33/815511433.db2.gz YTKUHPCRFYUTQH-OAGGEKHMSA-N 2 1 296.455 2.380 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CCC(=O)OC(C)C)C[C@@H]2C1 ZINC001172763337 815511439 /nfs/dbraw/zinc/51/14/39/815511439.db2.gz YTKUHPCRFYUTQH-OAGGEKHMSA-N 2 1 296.455 2.380 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CCC(=O)OC(C)C)C[C@@H]2C1 ZINC001172763337 815511442 /nfs/dbraw/zinc/51/14/42/815511442.db2.gz YTKUHPCRFYUTQH-OAGGEKHMSA-N 2 1 296.455 2.380 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCC2CCCC2)CC1 ZINC001113570162 812279479 /nfs/dbraw/zinc/27/94/79/812279479.db2.gz LNRNUNAOYXSOEE-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP C[NH+]1CC(CNc2ccc([C@H]3CCCC[N@H+]3C)cn2)C1 ZINC001170254209 812373570 /nfs/dbraw/zinc/37/35/70/812373570.db2.gz XIWPRKVRHPJSTB-OAHLLOKOSA-N 2 1 274.412 2.212 20 0 CEADMP [NH3+]CCCC[NH+]1CCN(C2CCC3(CC3)CC2)CC1 ZINC001254440661 812401255 /nfs/dbraw/zinc/40/12/55/812401255.db2.gz YEALBNNTKXKPFU-UHFFFAOYSA-N 2 1 265.445 2.066 20 0 CEADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001170410713 812407534 /nfs/dbraw/zinc/40/75/34/812407534.db2.gz GKBWFTHUGMUEPX-GJZGRUSLSA-N 2 1 290.407 2.278 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052821363 812464569 /nfs/dbraw/zinc/46/45/69/812464569.db2.gz YGQVOUIDGANQDF-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)C1 ZINC001172932161 815551214 /nfs/dbraw/zinc/55/12/14/815551214.db2.gz BECQUCODUUWQMK-CVEARBPZSA-N 2 1 278.440 2.362 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001172932161 815551216 /nfs/dbraw/zinc/55/12/16/815551216.db2.gz BECQUCODUUWQMK-CVEARBPZSA-N 2 1 278.440 2.362 20 0 CEADMP CCCCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132278030 812817784 /nfs/dbraw/zinc/81/77/84/812817784.db2.gz LIOGGBZPWQDFJW-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132377442 812837660 /nfs/dbraw/zinc/83/76/60/812837660.db2.gz XNKMLPNPQNWVND-HZPDHXFCSA-N 2 1 295.471 2.264 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2CC2)C1 ZINC001132411439 812846502 /nfs/dbraw/zinc/84/65/02/812846502.db2.gz ZKBUCJLOVYSZFZ-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132411439 812846511 /nfs/dbraw/zinc/84/65/11/812846511.db2.gz ZKBUCJLOVYSZFZ-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2CC2)C1 ZINC001132411439 812846515 /nfs/dbraw/zinc/84/65/15/812846515.db2.gz ZKBUCJLOVYSZFZ-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132432358 812848378 /nfs/dbraw/zinc/84/83/78/812848378.db2.gz CQQXTBVCMZEBGQ-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132518897 812871565 /nfs/dbraw/zinc/87/15/65/812871565.db2.gz PYHBMDOTXFULPD-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132519116 812873565 /nfs/dbraw/zinc/87/35/65/812873565.db2.gz SQAWLIOCUYBJCK-CVEARBPZSA-N 2 1 297.487 2.486 20 0 CEADMP CCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132519116 812873575 /nfs/dbraw/zinc/87/35/75/812873575.db2.gz SQAWLIOCUYBJCK-CVEARBPZSA-N 2 1 297.487 2.486 20 0 CEADMP CCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132519116 812873585 /nfs/dbraw/zinc/87/35/85/812873585.db2.gz SQAWLIOCUYBJCK-CVEARBPZSA-N 2 1 297.487 2.486 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886469 812956915 /nfs/dbraw/zinc/95/69/15/812956915.db2.gz NUCDGADTVOTHIO-JYJNAYRXSA-N 2 1 297.487 2.105 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751549 812964923 /nfs/dbraw/zinc/96/49/23/812964923.db2.gz XHZRDTYNVYSCMY-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001158751549 812964924 /nfs/dbraw/zinc/96/49/24/812964924.db2.gz XHZRDTYNVYSCMY-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001158751549 812964934 /nfs/dbraw/zinc/96/49/34/812964934.db2.gz XHZRDTYNVYSCMY-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP COc1cccc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206187066 815567208 /nfs/dbraw/zinc/56/72/08/815567208.db2.gz SQGAEKSROWTQKL-ZIAGYGMSSA-N 2 1 266.360 2.265 20 0 CEADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052498577 812997965 /nfs/dbraw/zinc/99/79/65/812997965.db2.gz IJNLQTIVNORHRH-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001052498577 812997974 /nfs/dbraw/zinc/99/79/74/812997974.db2.gz IJNLQTIVNORHRH-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001052498577 812997977 /nfs/dbraw/zinc/99/79/77/812997977.db2.gz IJNLQTIVNORHRH-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC)CC2)C1 ZINC001052651884 813020240 /nfs/dbraw/zinc/02/02/40/813020240.db2.gz OHRVOQLQSMZFHF-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC)CC2)C1 ZINC001052651884 813020246 /nfs/dbraw/zinc/02/02/46/813020246.db2.gz OHRVOQLQSMZFHF-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC)CC2)C1 ZINC001052651884 813020252 /nfs/dbraw/zinc/02/02/52/813020252.db2.gz OHRVOQLQSMZFHF-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133275351 813022551 /nfs/dbraw/zinc/02/25/51/813022551.db2.gz RPYIAMMFJZEUSV-JKSUJKDBSA-N 2 1 297.487 2.203 20 0 CEADMP COCc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)o1 ZINC000382745982 813091330 /nfs/dbraw/zinc/09/13/30/813091330.db2.gz NNYAAHZACLKFFF-UHFFFAOYSA-N 2 1 252.358 2.128 20 0 CEADMP C[N@H+]1CC[C@@H](Nc2ccc(C[NH3+])c(C(F)(F)F)c2)C1 ZINC001255418775 813092660 /nfs/dbraw/zinc/09/26/60/813092660.db2.gz DKPGIAVHSISHJP-LLVKDONJSA-N 2 1 273.302 2.280 20 0 CEADMP CC[NH+]1CCC([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000387359691 813206808 /nfs/dbraw/zinc/20/68/08/813206808.db2.gz JZTRPGGTOZZGET-CQSZACIVSA-N 2 1 284.350 2.072 20 0 CEADMP C[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[N@@H+](C)Cc1ccccc1 ZINC000390654185 813266798 /nfs/dbraw/zinc/26/67/98/813266798.db2.gz OISSAOSFFADCCQ-OPIBAUODSA-N 2 1 299.462 2.093 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000392834299 813308221 /nfs/dbraw/zinc/30/82/21/813308221.db2.gz RNEMNEIMJKUXLZ-HNNXBMFYSA-N 2 1 264.413 2.330 20 0 CEADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC001170797720 813375710 /nfs/dbraw/zinc/37/57/10/813375710.db2.gz YGOWXBYNQMCJSZ-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC001170797720 813375717 /nfs/dbraw/zinc/37/57/17/813375717.db2.gz YGOWXBYNQMCJSZ-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001135861660 813549888 /nfs/dbraw/zinc/54/98/88/813549888.db2.gz VEWNXFNHFDDCNF-HUUCEWRRSA-N 2 1 297.487 2.391 20 0 CEADMP [NH3+]CC1([NH2+][C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170867176 813564754 /nfs/dbraw/zinc/56/47/54/813564754.db2.gz GTFKLKYJKCADMN-ZDUSSCGKSA-N 2 1 295.224 2.387 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000396669188 813579638 /nfs/dbraw/zinc/57/96/38/813579638.db2.gz PVOHNFXWZTZVEX-WFASDCNBSA-N 2 1 257.381 2.441 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000397287077 813609598 /nfs/dbraw/zinc/60/95/98/813609598.db2.gz VJHLCCPNNLOPOQ-OCVGTWLNSA-N 2 1 262.397 2.025 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)CC[C@H]1C[NH3+] ZINC001246024895 813664913 /nfs/dbraw/zinc/66/49/13/813664913.db2.gz WGYOJRGMCWFBNL-VNQPRFMTSA-N 2 1 262.397 2.027 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246091188 813680095 /nfs/dbraw/zinc/68/00/95/813680095.db2.gz GZBSTTHTSIMPEQ-QLFBSQMISA-N 3 1 255.450 2.085 20 0 CEADMP CC[C@@H]1CC([NH2+]C[C@@H]2CC[C@@H](C)[NH2+]C2)C[C@@H](CC)[NH2+]1 ZINC001246089245 813679058 /nfs/dbraw/zinc/67/90/58/813679058.db2.gz CERBULWLCKJDFL-KBUPBQIOSA-N 3 1 267.461 2.273 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246093843 813683176 /nfs/dbraw/zinc/68/31/76/813683176.db2.gz XGPZIFOGYOLFFA-RQJABVFESA-N 3 1 253.434 2.013 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246113120 813704325 /nfs/dbraw/zinc/70/43/25/813704325.db2.gz RZUXXGOAUGCDQP-ZNMIVQPWSA-N 3 1 267.461 2.132 20 0 CEADMP CC[C@@H]1CC([NH2+]CC[C@H]2CCC[NH2+]2)C[C@@H](CC)[NH2+]1 ZINC001246272454 813756556 /nfs/dbraw/zinc/75/65/56/813756556.db2.gz LHIGHLREGDIRBV-MGPQQGTHSA-N 3 1 253.434 2.027 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001074087238 813802909 /nfs/dbraw/zinc/80/29/09/813802909.db2.gz ZXZHZQLKTKWOBG-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@]1([NH2+][C@H](C)Cc2ccccc2F)CC[NH2+]C1 ZINC001246467150 813854840 /nfs/dbraw/zinc/85/48/40/813854840.db2.gz YWAOVFZAQXJNPL-IUODEOHRSA-N 2 1 250.361 2.488 20 0 CEADMP COc1ccccc1[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246539688 813947047 /nfs/dbraw/zinc/94/70/47/813947047.db2.gz RYEMZRGIJWWAHU-CYBMUJFWSA-N 2 1 260.381 2.237 20 0 CEADMP COC(=O)CCCC[C@@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246551020 814009295 /nfs/dbraw/zinc/00/92/95/814009295.db2.gz JUPKFUOPXASCSK-HIFRSBDPSA-N 2 1 270.417 2.312 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246551019 814009991 /nfs/dbraw/zinc/00/99/91/814009991.db2.gz JUPKFUOPXASCSK-DZGCQCFKSA-N 2 1 270.417 2.312 20 0 CEADMP CC[C@@H]1CC([N@@H+]2CC[C@@](N)(C(F)(F)F)C2)C[C@@H](CC)[NH2+]1 ZINC001246570318 814082679 /nfs/dbraw/zinc/08/26/79/814082679.db2.gz PARVJUKLMBYSBZ-WZRBSPASSA-N 2 1 293.377 2.261 20 0 CEADMP CC[C@@H]1CC([N@H+]2CC[C@@](N)(C(F)(F)F)C2)C[C@@H](CC)[NH2+]1 ZINC001246570318 814082683 /nfs/dbraw/zinc/08/26/83/814082683.db2.gz PARVJUKLMBYSBZ-WZRBSPASSA-N 2 1 293.377 2.261 20 0 CEADMP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@](N)(C(F)(F)F)C2)C[C@H](CC)[NH2+]1 ZINC001246570320 814083256 /nfs/dbraw/zinc/08/32/56/814083256.db2.gz PARVJUKLMBYSBZ-YVECIDJPSA-N 2 1 293.377 2.261 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@](N)(C(F)(F)F)C2)C[C@H](CC)[NH2+]1 ZINC001246570320 814083265 /nfs/dbraw/zinc/08/32/65/814083265.db2.gz PARVJUKLMBYSBZ-YVECIDJPSA-N 2 1 293.377 2.261 20 0 CEADMP CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001100383094 814105679 /nfs/dbraw/zinc/10/56/79/814105679.db2.gz LDNHUPALANHNOH-GPANFISMSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)[N@@H+]1CCN(Cc2[nH+]cn3ccccc23)C[C@@H]1C ZINC001144627222 814126326 /nfs/dbraw/zinc/12/63/26/814126326.db2.gz KCNOVPVNZUBKAG-AWEZNQCLSA-N 2 1 272.396 2.249 20 0 CEADMP CC(C)[N@H+]1CCN(Cc2[nH+]cn3ccccc23)C[C@@H]1C ZINC001144627222 814126327 /nfs/dbraw/zinc/12/63/27/814126327.db2.gz KCNOVPVNZUBKAG-AWEZNQCLSA-N 2 1 272.396 2.249 20 0 CEADMP c1[nH+]c(CN2CC[C@H]([NH+]3CCCCC3)C2)c2ccccn12 ZINC001144623454 814132300 /nfs/dbraw/zinc/13/23/00/814132300.db2.gz WRGPRAWVLMBQAD-HNNXBMFYSA-N 2 1 284.407 2.395 20 0 CEADMP CC1(C)C[C@H]([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CCO1 ZINC001246584571 814164607 /nfs/dbraw/zinc/16/46/07/814164607.db2.gz XMPYHXXOXYJMIY-TZMCWYRMSA-N 2 1 258.381 2.097 20 0 CEADMP CC1(C)C[C@H]([N@H+]2CCCC[C@@](F)(C[NH3+])C2)CCO1 ZINC001246584571 814164612 /nfs/dbraw/zinc/16/46/12/814164612.db2.gz XMPYHXXOXYJMIY-TZMCWYRMSA-N 2 1 258.381 2.097 20 0 CEADMP [NH3+][C@@H]1CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)CC[C@H]1F ZINC001246589067 814179182 /nfs/dbraw/zinc/17/91/82/814179182.db2.gz RCGJUQQXXYCBAE-BZUAXINKSA-N 2 1 283.435 2.155 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CC)C1 ZINC001100764748 814183075 /nfs/dbraw/zinc/18/30/75/814183075.db2.gz CRLRJHOHFXEKCW-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246601522 814200845 /nfs/dbraw/zinc/20/08/45/814200845.db2.gz JRJHZOZBIPINSO-JKSUJKDBSA-N 2 1 281.488 2.475 20 0 CEADMP C[N@@H+]([C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCCC[C@@H]1N ZINC001246921859 814412431 /nfs/dbraw/zinc/41/24/31/814412431.db2.gz SWQJKBANMNLYII-UGUYLWEFSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CCOC3(C)C)CC2)C[NH2+]1 ZINC001246946384 814463400 /nfs/dbraw/zinc/46/34/00/814463400.db2.gz POYOWSCFYAACAO-ZIAGYGMSSA-N 2 1 266.429 2.408 20 0 CEADMP CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103113283 814471183 /nfs/dbraw/zinc/47/11/83/814471183.db2.gz DLKVWODWEDYIGL-OAGGEKHMSA-N 2 1 297.487 2.057 20 0 CEADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103140170 814474319 /nfs/dbraw/zinc/47/43/19/814474319.db2.gz QUPIBQFCQJCKHT-BZUAXINKSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC1CCC(C)CC1 ZINC001148573525 814588768 /nfs/dbraw/zinc/58/87/68/814588768.db2.gz STPDLCQLKFQYGI-UHFFFAOYSA-N 2 1 297.487 2.250 20 0 CEADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864219 814622000 /nfs/dbraw/zinc/62/20/00/814622000.db2.gz GCASORDPHOCWJT-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171352733 814653976 /nfs/dbraw/zinc/65/39/76/814653976.db2.gz AITRBFASKRXKBN-GWCFXTLKSA-N 2 1 268.351 2.349 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000698969261 814661774 /nfs/dbraw/zinc/66/17/74/814661774.db2.gz VLCZRPXQGKPINX-BDAKNGLRSA-N 2 1 256.337 2.012 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]2C(=O)OC)CC1 ZINC001173104415 815581661 /nfs/dbraw/zinc/58/16/61/815581661.db2.gz OAEAAZULQREYNI-NRXISQOPSA-N 2 1 282.428 2.277 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC001173108393 815582695 /nfs/dbraw/zinc/58/26/95/815582695.db2.gz JCPHUSAFOJKEKY-YMAMQOFZSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H](O)C[C@H]2C)CC1 ZINC001173109968 815582776 /nfs/dbraw/zinc/58/27/76/815582776.db2.gz MCNWOVDIIQZJHQ-XSCHDIRWSA-N 2 1 254.418 2.095 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCn3cncc3C2)CC1 ZINC001173115228 815583631 /nfs/dbraw/zinc/58/36/31/815583631.db2.gz ZQCWQRACJHIUEO-UHFFFAOYSA-N 2 1 276.428 2.352 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](C)[C@@H](C)C(=O)OC)CC1 ZINC001173112469 815584156 /nfs/dbraw/zinc/58/41/56/815584156.db2.gz BPFTYMOCRVMRGB-HSBZDZAISA-N 2 1 270.417 2.133 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCC4)O3)C[C@@H]21 ZINC000712462556 814750108 /nfs/dbraw/zinc/75/01/08/814750108.db2.gz IVVHJYBMKANGJG-CBBWQLFWSA-N 2 1 264.413 2.147 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000712586958 814753957 /nfs/dbraw/zinc/75/39/57/814753957.db2.gz FIBNEELEFJHNIP-UHFFFAOYSA-N 2 1 275.396 2.089 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CCCC[C@H]2CC[NH3+])OC1 ZINC000713597374 814867082 /nfs/dbraw/zinc/86/70/82/814867082.db2.gz SXIGOJVLUUPOAC-UONOGXRCSA-N 2 1 254.418 2.395 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713597066 814867224 /nfs/dbraw/zinc/86/72/24/814867224.db2.gz QEYXWFGWMPWZAL-IHRRRGAJSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000713597068 814867616 /nfs/dbraw/zinc/86/76/16/814867616.db2.gz QEYXWFGWMPWZAL-MELADBBJSA-N 2 1 254.418 2.251 20 0 CEADMP CCc1ccc(C[C@H](C)n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1 ZINC001173245609 815638560 /nfs/dbraw/zinc/63/85/60/815638560.db2.gz SXLAJXIDNOCWRH-XJKSGUPXSA-N 2 1 287.407 2.111 20 0 CEADMP CC[N@H+]1CC[C@@H](N(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173354969 815696213 /nfs/dbraw/zinc/69/62/13/815696213.db2.gz VVBPEYWPUQLYDQ-BZUAXINKSA-N 2 1 288.439 2.252 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001173440086 815716735 /nfs/dbraw/zinc/71/67/35/815716735.db2.gz DDHHSYZWCLSYLH-UONOGXRCSA-N 2 1 270.417 2.182 20 0 CEADMP C[NH+]1CCC([NH2+]C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173473359 815722990 /nfs/dbraw/zinc/72/29/90/815722990.db2.gz WSQDMLPJGIKUBO-UHFFFAOYSA-N 2 1 266.335 2.116 20 0 CEADMP Cc1noc2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)cc12 ZINC001206214230 815821271 /nfs/dbraw/zinc/82/12/71/815821271.db2.gz XWYFBABOXAFARX-ZIAGYGMSSA-N 2 1 277.343 2.397 20 0 CEADMP Cc1noc2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)cc12 ZINC001206214230 815821275 /nfs/dbraw/zinc/82/12/75/815821275.db2.gz XWYFBABOXAFARX-ZIAGYGMSSA-N 2 1 277.343 2.397 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)cc1 ZINC001138545006 815824026 /nfs/dbraw/zinc/82/40/26/815824026.db2.gz QGHWQCNTKBSLLU-DYVFJYSZSA-N 2 1 285.391 2.383 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)cc1 ZINC001138545006 815824032 /nfs/dbraw/zinc/82/40/32/815824032.db2.gz QGHWQCNTKBSLLU-DYVFJYSZSA-N 2 1 285.391 2.383 20 0 CEADMP COc1cc(O)ccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001139142961 815968521 /nfs/dbraw/zinc/96/85/21/815968521.db2.gz CIKCMFJDYSKFMZ-UHFFFAOYSA-N 2 1 290.407 2.319 20 0 CEADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnc(N)s2)CC1 ZINC001139228743 815992730 /nfs/dbraw/zinc/99/27/30/815992730.db2.gz OPYMIVYZGDNLED-UHFFFAOYSA-N 2 1 282.457 2.278 20 0 CEADMP C[NH+]1CCN(c2ncc(C[NH+]3C4CCC3CC4)s2)CC1 ZINC001139324644 816004090 /nfs/dbraw/zinc/00/40/90/816004090.db2.gz JYCGKKYQOJXQIH-UHFFFAOYSA-N 2 1 292.452 2.022 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4n[nH]cc4c3)C2)C1 ZINC001140388108 816249543 /nfs/dbraw/zinc/24/95/43/816249543.db2.gz JPPIVAAOTRACDK-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4n[nH]cc4c3)C2)C1 ZINC001140388108 816249547 /nfs/dbraw/zinc/24/95/47/816249547.db2.gz JPPIVAAOTRACDK-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4n[nH]cc4c3)C2)C1 ZINC001140388108 816249553 /nfs/dbraw/zinc/24/95/53/816249553.db2.gz JPPIVAAOTRACDK-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4n[nH]cc4c3)C2)C1 ZINC001140388108 816249557 /nfs/dbraw/zinc/24/95/57/816249557.db2.gz JPPIVAAOTRACDK-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001176022574 816327090 /nfs/dbraw/zinc/32/70/90/816327090.db2.gz BVHCCKFDNAEWND-OAHLLOKOSA-N 2 1 297.487 2.393 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC(C)C ZINC001176033574 816331564 /nfs/dbraw/zinc/33/15/64/816331564.db2.gz SEUYLRFAUONWOK-OAHLLOKOSA-N 2 1 285.476 2.249 20 0 CEADMP CCC/C=C/CC[NH2+]CCCNC(=O)Cn1cc[nH+]c1C ZINC001176132938 816345570 /nfs/dbraw/zinc/34/55/70/816345570.db2.gz LPCCTJUMARRCBL-AATRIKPKSA-N 2 1 292.427 2.034 20 0 CEADMP OC[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1C(F)(F)F ZINC001140801199 816358916 /nfs/dbraw/zinc/35/89/16/816358916.db2.gz FDMKVQVXKWJIPT-PWSUYJOCSA-N 2 1 299.296 2.166 20 0 CEADMP OC[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1C(F)(F)F ZINC001140801199 816358922 /nfs/dbraw/zinc/35/89/22/816358922.db2.gz FDMKVQVXKWJIPT-PWSUYJOCSA-N 2 1 299.296 2.166 20 0 CEADMP C[N@@H+](Cc1c[nH]c2ccncc12)[C@@H]1CCC2(C1)OCCO2 ZINC001140806041 816368882 /nfs/dbraw/zinc/36/88/82/816368882.db2.gz UZQYQWDEVBXRHV-CYBMUJFWSA-N 2 1 287.363 2.290 20 0 CEADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)[C@@H]1CCC2(C1)OCCO2 ZINC001140806041 816368904 /nfs/dbraw/zinc/36/89/04/816368904.db2.gz UZQYQWDEVBXRHV-CYBMUJFWSA-N 2 1 287.363 2.290 20 0 CEADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)[C@@H]1CCC2(C1)OCCO2 ZINC001140806041 816368912 /nfs/dbraw/zinc/36/89/12/816368912.db2.gz UZQYQWDEVBXRHV-CYBMUJFWSA-N 2 1 287.363 2.290 20 0 CEADMP COC(=O)CC[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140807179 816371873 /nfs/dbraw/zinc/37/18/73/816371873.db2.gz PORJSZARJZJTAQ-GFCCVEGCSA-N 2 1 287.363 2.338 20 0 CEADMP COC(=O)CC[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140807179 816371879 /nfs/dbraw/zinc/37/18/79/816371879.db2.gz PORJSZARJZJTAQ-GFCCVEGCSA-N 2 1 287.363 2.338 20 0 CEADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2c[nH]c3cccc(O)c23)C1 ZINC001206623202 816385448 /nfs/dbraw/zinc/38/54/48/816385448.db2.gz KAZZMBMCDIPBIR-GFCCVEGCSA-N 2 1 273.380 2.434 20 0 CEADMP Cc1cc[nH+]c(C)c1Nc1cnn(CC[NH+](C)C)c1 ZINC001176445223 816411760 /nfs/dbraw/zinc/41/17/60/816411760.db2.gz DDFNQVFZQNXGHB-UHFFFAOYSA-N 2 1 259.357 2.200 20 0 CEADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CCCC[NH2+]CC(C)C ZINC001176600769 816450272 /nfs/dbraw/zinc/45/02/72/816450272.db2.gz PMBSYVKEUOQUMG-AWEZNQCLSA-N 2 1 294.443 2.112 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccn2ccnc2c1 ZINC001141049435 816461217 /nfs/dbraw/zinc/46/12/17/816461217.db2.gz HNWGEGHBJLJLMY-UHFFFAOYSA-N 2 1 260.385 2.108 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccn2ccnc2c1 ZINC001141049435 816461218 /nfs/dbraw/zinc/46/12/18/816461218.db2.gz HNWGEGHBJLJLMY-UHFFFAOYSA-N 2 1 260.385 2.108 20 0 CEADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc3c(c2)NCCC3)C1 ZINC001206284311 816475062 /nfs/dbraw/zinc/47/50/62/816475062.db2.gz BNYATTPNHJKPQY-ZDUSSCGKSA-N 2 1 259.397 2.086 20 0 CEADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc3c(c2)NCCC3)C1 ZINC001206284311 816475066 /nfs/dbraw/zinc/47/50/66/816475066.db2.gz BNYATTPNHJKPQY-ZDUSSCGKSA-N 2 1 259.397 2.086 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCCC(C)C ZINC001176992388 816505404 /nfs/dbraw/zinc/50/54/04/816505404.db2.gz NPVFUXUIPIYNFZ-INIZCTEOSA-N 2 1 297.487 2.393 20 0 CEADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001177266862 816542798 /nfs/dbraw/zinc/54/27/98/816542798.db2.gz LMXRCSRHPGWIGS-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP [NH3+]C[C@]1(F)CCCC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206334874 816765193 /nfs/dbraw/zinc/76/51/93/816765193.db2.gz AHTFQOPGWPETSW-GBJTYRQASA-N 2 1 252.377 2.352 20 0 CEADMP [NH3+]C[C@]1(F)CCCC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206334874 816765197 /nfs/dbraw/zinc/76/51/97/816765197.db2.gz AHTFQOPGWPETSW-GBJTYRQASA-N 2 1 252.377 2.352 20 0 CEADMP CC(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001179534904 816870411 /nfs/dbraw/zinc/87/04/11/816870411.db2.gz XISYHBZCRJPYFZ-JYJNAYRXSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H](C)[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124336923 187133145 /nfs/dbraw/zinc/13/31/45/187133145.db2.gz VKOXWYJKAJQTRQ-HUUCEWRRSA-N 2 1 269.477 2.284 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261776379 282084741 /nfs/dbraw/zinc/08/47/41/282084741.db2.gz MSVAFHFQHDFEJR-MRXNPFEDSA-N 2 1 270.380 2.109 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261776379 282084742 /nfs/dbraw/zinc/08/47/42/282084742.db2.gz MSVAFHFQHDFEJR-MRXNPFEDSA-N 2 1 270.380 2.109 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC1([NH+](C)C)CCCCC1 ZINC000359599864 300220544 /nfs/dbraw/zinc/22/05/44/300220544.db2.gz UWWBIULCUKHAAR-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449076544 282090359 /nfs/dbraw/zinc/09/03/59/282090359.db2.gz UCJOFMDVSICJFJ-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000449087499 282095070 /nfs/dbraw/zinc/09/50/70/282095070.db2.gz WAPXBQPFPRLYBG-RBSFLKMASA-N 2 1 297.487 2.247 20 0 CEADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000336285369 365546709 /nfs/dbraw/zinc/54/67/09/365546709.db2.gz LHMDWAYOWWKFOI-AWEZNQCLSA-N 2 1 262.401 2.163 20 0 CEADMP C(C[NH+]1CCCSCC1)C[N@H+]1CCCSCC1 ZINC000121519607 365578559 /nfs/dbraw/zinc/57/85/59/365578559.db2.gz IJQOORYQBFUTIG-UHFFFAOYSA-N 2 1 274.499 2.254 20 0 CEADMP CC(C)CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000127767077 187331485 /nfs/dbraw/zinc/33/14/85/187331485.db2.gz YMEQHIKLXRTZMF-CVEARBPZSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000449127020 282110795 /nfs/dbraw/zinc/11/07/95/282110795.db2.gz WADHSBCQZOGTGD-CABCVRRESA-N 2 1 297.487 2.391 20 0 CEADMP COCC1CCC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000449137171 282115161 /nfs/dbraw/zinc/11/51/61/282115161.db2.gz XEVWHGGORCDULS-PPWQZUPISA-N 2 1 254.418 2.121 20 0 CEADMP COCC1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000449137171 282115164 /nfs/dbraw/zinc/11/51/64/282115164.db2.gz XEVWHGGORCDULS-PPWQZUPISA-N 2 1 254.418 2.121 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(F)c2cccnc12 ZINC000124962394 187163149 /nfs/dbraw/zinc/16/31/49/187163149.db2.gz MBGQGCFFRLNHJK-UHFFFAOYSA-N 2 1 261.344 2.415 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(F)c2cccnc12 ZINC000124962394 187163150 /nfs/dbraw/zinc/16/31/50/187163150.db2.gz MBGQGCFFRLNHJK-UHFFFAOYSA-N 2 1 261.344 2.415 20 0 CEADMP CCc1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000336558281 365643215 /nfs/dbraw/zinc/64/32/15/365643215.db2.gz UGFPJHXMBLTNQX-HOCLYGCPSA-N 2 1 259.397 2.170 20 0 CEADMP COCC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000449174745 282131015 /nfs/dbraw/zinc/13/10/15/282131015.db2.gz QASKQWYRTABEPJ-VXGQWTEUSA-N 2 1 254.418 2.264 20 0 CEADMP COCC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000449174745 282131020 /nfs/dbraw/zinc/13/10/20/282131020.db2.gz QASKQWYRTABEPJ-VXGQWTEUSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000125771275 365685312 /nfs/dbraw/zinc/68/53/12/365685312.db2.gz JEMWPXGKKZSOKN-ZIAGYGMSSA-N 2 1 284.444 2.380 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000125771275 365685314 /nfs/dbraw/zinc/68/53/14/365685314.db2.gz JEMWPXGKKZSOKN-ZIAGYGMSSA-N 2 1 284.444 2.380 20 0 CEADMP COc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1F ZINC000036300594 361839906 /nfs/dbraw/zinc/83/99/06/361839906.db2.gz UAYUYBOICRTHHY-UHFFFAOYSA-N 2 1 252.333 2.018 20 0 CEADMP COc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1F ZINC000036300594 361839908 /nfs/dbraw/zinc/83/99/08/361839908.db2.gz UAYUYBOICRTHHY-UHFFFAOYSA-N 2 1 252.333 2.018 20 0 CEADMP Cc1ccc(NCCC[NH2+]C[C@@H](O)CC2CCCC2)[nH+]c1 ZINC000567685015 299075529 /nfs/dbraw/zinc/07/55/29/299075529.db2.gz TYUGYDMYNWLZSX-INIZCTEOSA-N 2 1 291.439 2.145 20 0 CEADMP CC(C)C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000036908393 361870094 /nfs/dbraw/zinc/87/00/94/361870094.db2.gz JFVZCQVMRHALPS-QKPAOTATSA-N 2 1 269.477 2.281 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649279 361916913 /nfs/dbraw/zinc/91/69/13/361916913.db2.gz MACFKCQBYIRMBY-AWEZNQCLSA-N 2 1 288.391 2.047 20 0 CEADMP CC[C@H]([NH2+]CC[NH3+])c1ccc(Br)cc1 ZINC000037712481 361923097 /nfs/dbraw/zinc/92/30/97/361923097.db2.gz IYRIVXKSRDKWRV-NSHDSACASA-N 2 1 257.175 2.449 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000037786503 361938170 /nfs/dbraw/zinc/93/81/70/361938170.db2.gz VGVOVCQTMHSUIB-UHFFFAOYSA-N 2 1 264.417 2.379 20 0 CEADMP CC(C)N1CCC([NH2+]CCC2CC[NH+](C)CC2)CC1 ZINC000125471876 187186846 /nfs/dbraw/zinc/18/68/46/187186846.db2.gz AGEQPEXMORSMTB-UHFFFAOYSA-N 2 1 267.461 2.181 20 0 CEADMP c1cc2c(s1)CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000038076076 361985657 /nfs/dbraw/zinc/98/56/57/361985657.db2.gz VOQSIVNGRIIFTQ-UHFFFAOYSA-N 2 1 250.411 2.496 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000037981978 361970240 /nfs/dbraw/zinc/97/02/40/361970240.db2.gz KOBZOELISSQLFE-SWLSCSKDSA-N 2 1 282.815 2.447 20 0 CEADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338079299 214391332 /nfs/dbraw/zinc/39/13/32/214391332.db2.gz GABPMBXLMZFBDY-XUWVNRHRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCC[C@H](CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338079299 214391334 /nfs/dbraw/zinc/39/13/34/214391334.db2.gz GABPMBXLMZFBDY-XUWVNRHRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCC[C@H](CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338079299 214391336 /nfs/dbraw/zinc/39/13/36/214391336.db2.gz GABPMBXLMZFBDY-XUWVNRHRSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000621642124 349650389 /nfs/dbraw/zinc/65/03/89/349650389.db2.gz FEUUGMRNLJBOOT-PMPSAXMXSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000449307489 282181124 /nfs/dbraw/zinc/18/11/24/282181124.db2.gz ZWOQWLYNBJIJLM-BZUAXINKSA-N 2 1 281.488 2.427 20 0 CEADMP CCc1noc(C)c1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000567723969 299082145 /nfs/dbraw/zinc/08/21/45/299082145.db2.gz KLBNUJVIRMHWGV-PWSUYJOCSA-N 2 1 251.374 2.023 20 0 CEADMP C(C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668586207 539204365 /nfs/dbraw/zinc/20/43/65/539204365.db2.gz BEAPWRLGPMGNLK-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP C(C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668586207 539204367 /nfs/dbraw/zinc/20/43/67/539204367.db2.gz BEAPWRLGPMGNLK-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000354549028 282188630 /nfs/dbraw/zinc/18/86/30/282188630.db2.gz JOWKCUXWSSPSOV-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449347660 282195652 /nfs/dbraw/zinc/19/56/52/282195652.db2.gz DCGYAAMVSKPRAK-BZUAXINKSA-N 2 1 295.471 2.275 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCCC2)[C@@H](C)C1 ZINC000449345259 282194200 /nfs/dbraw/zinc/19/42/00/282194200.db2.gz HLPZCZFMXYEGGW-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP COC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC000126069195 187214786 /nfs/dbraw/zinc/21/47/86/187214786.db2.gz CAGFPURPNFILBW-GJZGRUSLSA-N 2 1 256.434 2.367 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CC[C@@H]4COC[C@@H]4C3)n2c1 ZINC000668706527 539242749 /nfs/dbraw/zinc/24/27/49/539242749.db2.gz SSJKQYYHQBIJAG-KGLIPLIRSA-N 2 1 271.364 2.111 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)(C)C)[NH2+]C)C[C@H]1C ZINC000449365985 282202287 /nfs/dbraw/zinc/20/22/87/282202287.db2.gz QOALTJALZVAQMX-QLFBSQMISA-N 2 1 297.487 2.342 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(CO)cc2)[C@@H](C)C1 ZINC000305775648 539255964 /nfs/dbraw/zinc/25/59/64/539255964.db2.gz KBPFDJJAFOIQAZ-WMLDXEAASA-N 2 1 276.424 2.041 20 0 CEADMP COC1CC([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000449382567 282207814 /nfs/dbraw/zinc/20/78/14/282207814.db2.gz CRHBCMMPZNKBGV-SLTAFYQDSA-N 2 1 254.418 2.264 20 0 CEADMP CCc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cn1 ZINC000352705662 529651628 /nfs/dbraw/zinc/65/16/28/529651628.db2.gz MILKAIQFGXQZTL-HNNXBMFYSA-N 2 1 291.439 2.235 20 0 CEADMP CCc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cn1 ZINC000352705662 529651632 /nfs/dbraw/zinc/65/16/32/529651632.db2.gz MILKAIQFGXQZTL-HNNXBMFYSA-N 2 1 291.439 2.235 20 0 CEADMP CC[C@H](C)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000357381478 529667789 /nfs/dbraw/zinc/66/77/89/529667789.db2.gz ZVTZPNQOVMSOPN-DOTOQJQBSA-N 2 1 276.424 2.259 20 0 CEADMP CC[C@H](C)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000357381478 529667790 /nfs/dbraw/zinc/66/77/90/529667790.db2.gz ZVTZPNQOVMSOPN-DOTOQJQBSA-N 2 1 276.424 2.259 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000311378881 539283468 /nfs/dbraw/zinc/28/34/68/539283468.db2.gz WUCQJVCUXWSNIB-SRVKXCTJSA-N 2 1 282.350 2.416 20 0 CEADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000042341531 362085106 /nfs/dbraw/zinc/08/51/06/362085106.db2.gz NBTZACRQLKCNJK-HUUCEWRRSA-N 2 1 262.397 2.102 20 0 CEADMP CN(CC[N@@H+](C)C1CC1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000567826593 299095314 /nfs/dbraw/zinc/09/53/14/299095314.db2.gz HLZNCOXRPACFCX-MRXNPFEDSA-N 2 1 289.423 2.019 20 0 CEADMP C[C@H](C[NH3+])CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000336656261 365751702 /nfs/dbraw/zinc/75/17/02/365751702.db2.gz LXVPFIFZZZKHSG-BZZMCLGOSA-N 2 1 287.451 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000336656261 365751704 /nfs/dbraw/zinc/75/17/04/365751704.db2.gz LXVPFIFZZZKHSG-BZZMCLGOSA-N 3 1 287.451 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000336656261 365751707 /nfs/dbraw/zinc/75/17/07/365751707.db2.gz LXVPFIFZZZKHSG-BZZMCLGOSA-N 3 1 287.451 2.081 20 0 CEADMP C[C@H](C[NH3+])CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654609 365751957 /nfs/dbraw/zinc/75/19/57/365751957.db2.gz CLKDKOVUZPYWQP-INMHGKMJSA-N 2 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654609 365751960 /nfs/dbraw/zinc/75/19/60/365751960.db2.gz CLKDKOVUZPYWQP-INMHGKMJSA-N 3 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654609 365751963 /nfs/dbraw/zinc/75/19/63/365751963.db2.gz CLKDKOVUZPYWQP-INMHGKMJSA-N 3 1 275.440 2.081 20 0 CEADMP CC[NH+](CC)[C@H](C)CN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000127532257 365752485 /nfs/dbraw/zinc/75/24/85/365752485.db2.gz GWTVHDPWADARTL-KFWWJZLASA-N 3 1 255.450 2.037 20 0 CEADMP CCc1nc(C)c(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)o1 ZINC000333787622 529725513 /nfs/dbraw/zinc/72/55/13/529725513.db2.gz FQANZRNMTMSPOL-CMPLNLGQSA-N 2 1 251.374 2.023 20 0 CEADMP CC1CCC([N@H+](C[C@H](O)C[NH+](C)C2CC2)C2CC2)CC1 ZINC000351334426 219091889 /nfs/dbraw/zinc/09/18/89/219091889.db2.gz DXPRXRNPAKVACW-PUJMQQBBSA-N 2 1 280.456 2.485 20 0 CEADMP CC1CCC([N@@H+](C[C@H](O)C[NH+](C)C2CC2)C2CC2)CC1 ZINC000351334426 219091890 /nfs/dbraw/zinc/09/18/90/219091890.db2.gz DXPRXRNPAKVACW-PUJMQQBBSA-N 2 1 280.456 2.485 20 0 CEADMP CC1CCC([NH+](C[C@H](O)C[N@H+](C)C2CC2)C2CC2)CC1 ZINC000351334426 219091893 /nfs/dbraw/zinc/09/18/93/219091893.db2.gz DXPRXRNPAKVACW-PUJMQQBBSA-N 2 1 280.456 2.485 20 0 CEADMP CC1CCC([NH+](C[C@H](O)C[N@@H+](C)C2CC2)C2CC2)CC1 ZINC000351334426 219091895 /nfs/dbraw/zinc/09/18/95/219091895.db2.gz DXPRXRNPAKVACW-PUJMQQBBSA-N 2 1 280.456 2.485 20 0 CEADMP CCc1ncc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000414397277 529757240 /nfs/dbraw/zinc/75/72/40/529757240.db2.gz UDQMOJYSLNDHTK-CQSZACIVSA-N 2 1 278.444 2.495 20 0 CEADMP Cc1nocc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000351485323 219103225 /nfs/dbraw/zinc/10/32/25/219103225.db2.gz YYFMNDKERNHFMA-UHFFFAOYSA-N 2 1 274.368 2.171 20 0 CEADMP CSc1ccc(OCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000351500322 219107313 /nfs/dbraw/zinc/10/73/13/219107313.db2.gz XBGDDEYRPKZREU-MAZHCROVSA-N 2 1 292.448 2.456 20 0 CEADMP CCC[C@]1(C)CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351511363 219108649 /nfs/dbraw/zinc/10/86/49/219108649.db2.gz BXWBOZAGNWQKHB-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@]1(C)CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351511363 219108651 /nfs/dbraw/zinc/10/86/51/219108651.db2.gz BXWBOZAGNWQKHB-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@]1(C)CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351511363 219108653 /nfs/dbraw/zinc/10/86/53/219108653.db2.gz BXWBOZAGNWQKHB-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@]1(C)CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351511363 219108656 /nfs/dbraw/zinc/10/86/56/219108656.db2.gz BXWBOZAGNWQKHB-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000449623533 282307116 /nfs/dbraw/zinc/30/71/16/282307116.db2.gz JMUGRKFKMOINMD-HNNXBMFYSA-N 2 1 275.396 2.219 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000270345285 190654336 /nfs/dbraw/zinc/65/43/36/190654336.db2.gz VHOWQLCOJQJWHM-HNNXBMFYSA-N 2 1 289.423 2.316 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCCO2)C1 ZINC000081533343 344056253 /nfs/dbraw/zinc/05/62/53/344056253.db2.gz OVIANKHOZDWJPR-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000081533343 344056254 /nfs/dbraw/zinc/05/62/54/344056254.db2.gz OVIANKHOZDWJPR-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000081533343 344056255 /nfs/dbraw/zinc/05/62/55/344056255.db2.gz OVIANKHOZDWJPR-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP COCCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633931 344060237 /nfs/dbraw/zinc/06/02/37/344060237.db2.gz ADAMBNGFXZFTLO-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP COCCCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081633931 344060238 /nfs/dbraw/zinc/06/02/38/344060238.db2.gz ADAMBNGFXZFTLO-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP COCCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633931 344060240 /nfs/dbraw/zinc/06/02/40/344060240.db2.gz ADAMBNGFXZFTLO-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4c[nH]nc43)CC[C@@H]21 ZINC000092043274 344176093 /nfs/dbraw/zinc/17/60/93/344176093.db2.gz KBMSVDLJXUQHKU-HOCLYGCPSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4c[nH]nc43)CC[C@@H]21 ZINC000092043274 344176096 /nfs/dbraw/zinc/17/60/96/344176096.db2.gz KBMSVDLJXUQHKU-HOCLYGCPSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4c[nH]nc43)CC[C@@H]21 ZINC000092043274 344176098 /nfs/dbraw/zinc/17/60/98/344176098.db2.gz KBMSVDLJXUQHKU-HOCLYGCPSA-N 2 1 284.407 2.479 20 0 CEADMP Cc1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)ccc1F ZINC000105476275 344256762 /nfs/dbraw/zinc/25/67/62/344256762.db2.gz WIOUOJJXZQOADG-UHFFFAOYSA-N 2 1 293.430 2.251 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCCc2cnn(C)c2)CC1 ZINC000111241211 344270768 /nfs/dbraw/zinc/27/07/68/344270768.db2.gz HJPRHUDYQFDUMN-UHFFFAOYSA-N 2 1 278.444 2.159 20 0 CEADMP COCC[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000127774526 344331813 /nfs/dbraw/zinc/33/18/13/344331813.db2.gz NGJZFSQAULJHAX-UHFFFAOYSA-N 2 1 254.418 2.410 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000129097352 344340608 /nfs/dbraw/zinc/34/06/08/344340608.db2.gz ZUOGVAJDYNZZPH-RYUDHWBXSA-N 2 1 295.814 2.480 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C(C)C)C2CC2)CC1 ZINC000154538362 344434863 /nfs/dbraw/zinc/43/48/63/344434863.db2.gz HNOFSLBUBNHVPJ-QGZVFWFLSA-N 2 1 281.488 2.428 20 0 CEADMP CC(C)[NH2+]CCC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000166044008 344475407 /nfs/dbraw/zinc/47/54/07/344475407.db2.gz XURTWHWZCIVURN-GASCZTMLSA-N 2 1 297.487 2.247 20 0 CEADMP C[N@@H+](CCc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000169168354 344481536 /nfs/dbraw/zinc/48/15/36/344481536.db2.gz XBRVPXAYAKHCAT-OALUTQOASA-N 2 1 298.430 2.092 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000261595981 344653319 /nfs/dbraw/zinc/65/33/19/344653319.db2.gz JMZFLEVPAIKDSQ-DZKIICNBSA-N 2 1 291.439 2.169 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)c1nccs1 ZINC000314374692 344745105 /nfs/dbraw/zinc/74/51/05/344745105.db2.gz QFBSPBPMFVFTJV-UHFFFAOYSA-N 2 1 264.398 2.334 20 0 CEADMP COC(=O)C1CCC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000380396797 344822567 /nfs/dbraw/zinc/82/25/67/344822567.db2.gz PGXGPZRZFZDTRH-NFOMZHRRSA-N 2 1 282.428 2.038 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000401755079 344869679 /nfs/dbraw/zinc/86/96/79/344869679.db2.gz DFNZTIVFEIZFBA-UHFFFAOYSA-N 2 1 285.391 2.466 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000351622828 219150316 /nfs/dbraw/zinc/15/03/16/219150316.db2.gz SRAXOTOJOWHUEO-KZNAEPCWSA-N 2 1 288.435 2.367 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000351622828 219150317 /nfs/dbraw/zinc/15/03/17/219150317.db2.gz SRAXOTOJOWHUEO-KZNAEPCWSA-N 2 1 288.435 2.367 20 0 CEADMP CCOC(=O)C1CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000054243234 362519784 /nfs/dbraw/zinc/51/97/84/362519784.db2.gz JOZAMJRSVLNSPO-WLYUNCDWSA-N 2 1 282.428 2.040 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000568164938 299118251 /nfs/dbraw/zinc/11/82/51/299118251.db2.gz DFMUVRDRXQBLSO-RRFJBIMHSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000568164938 299118253 /nfs/dbraw/zinc/11/82/53/299118253.db2.gz DFMUVRDRXQBLSO-RRFJBIMHSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000568164938 299118255 /nfs/dbraw/zinc/11/82/55/299118255.db2.gz DFMUVRDRXQBLSO-RRFJBIMHSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000568164938 299118258 /nfs/dbraw/zinc/11/82/58/299118258.db2.gz DFMUVRDRXQBLSO-RRFJBIMHSA-N 2 1 256.434 2.200 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592433619 345352624 /nfs/dbraw/zinc/35/26/24/345352624.db2.gz MIUAODTYTFXXKM-HUUCEWRRSA-N 2 1 296.455 2.287 20 0 CEADMP CCOC(=O)CCCCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471149 345358291 /nfs/dbraw/zinc/35/82/91/345358291.db2.gz BHODBBJABIBCLS-UHFFFAOYSA-N 2 1 282.428 2.326 20 0 CEADMP C[N@@H+](CCC[NH3+])CCOc1ccc(OC(F)(F)F)cc1 ZINC000592473770 345358398 /nfs/dbraw/zinc/35/83/98/345358398.db2.gz NIIANNMYZLOCSW-UHFFFAOYSA-N 2 1 292.301 2.245 20 0 CEADMP CCSCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592494017 345360108 /nfs/dbraw/zinc/36/01/08/345360108.db2.gz ZKDZVIIRKYNHCN-KBPBESRZSA-N 2 1 256.459 2.451 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593314934 345465468 /nfs/dbraw/zinc/46/54/68/345465468.db2.gz HVGARWWJQAOQBA-STQMWFEESA-N 2 1 270.417 2.025 20 0 CEADMP COC(=O)c1coc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000593317716 345465930 /nfs/dbraw/zinc/46/59/30/345465930.db2.gz VMVNNEYQDFUBDX-SMDDNHRTSA-N 2 1 280.368 2.016 20 0 CEADMP COC(=O)c1coc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000593317716 345465932 /nfs/dbraw/zinc/46/59/32/345465932.db2.gz VMVNNEYQDFUBDX-SMDDNHRTSA-N 2 1 280.368 2.016 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CSCCF)C1 ZINC000595012125 345726570 /nfs/dbraw/zinc/72/65/70/345726570.db2.gz DTXJDZQTZDKBLC-OLZOCXBDSA-N 2 1 262.438 2.399 20 0 CEADMP COc1ccc2c(c1)CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000568260649 299131114 /nfs/dbraw/zinc/13/11/14/299131114.db2.gz XFOBVZCADUXUEL-CYBMUJFWSA-N 2 1 260.381 2.053 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000568260649 299131115 /nfs/dbraw/zinc/13/11/15/299131115.db2.gz XFOBVZCADUXUEL-CYBMUJFWSA-N 2 1 260.381 2.053 20 0 CEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000568269838 299131558 /nfs/dbraw/zinc/13/15/58/299131558.db2.gz ZOURBRYJQLAMNY-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000063195130 362759019 /nfs/dbraw/zinc/75/90/19/362759019.db2.gz WDASHKKTKOEZOD-UKRRQHHQSA-N 2 1 275.396 2.217 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000063195130 362759022 /nfs/dbraw/zinc/75/90/22/362759022.db2.gz WDASHKKTKOEZOD-UKRRQHHQSA-N 2 1 275.396 2.217 20 0 CEADMP Cc1[nH+]cc(CNC2CC[NH+](C(C)(C)C)CC2)n1C ZINC000568273177 299133202 /nfs/dbraw/zinc/13/32/02/299133202.db2.gz LVYYALCOVISRQH-UHFFFAOYSA-N 2 1 264.417 2.081 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC[C@@H]2CCC[NH+]2C)C[C@@H]1C ZINC000336799560 365826601 /nfs/dbraw/zinc/82/66/01/365826601.db2.gz JBIYUCQJBRXTQH-JYJNAYRXSA-N 3 1 267.461 2.275 20 0 CEADMP CC[NH+]1CC[C@H](N(C)CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000336799560 365826604 /nfs/dbraw/zinc/82/66/04/365826604.db2.gz JBIYUCQJBRXTQH-JYJNAYRXSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CC[C@H](N(C)CC[C@@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000336799560 365826606 /nfs/dbraw/zinc/82/66/06/365826606.db2.gz JBIYUCQJBRXTQH-JYJNAYRXSA-N 2 1 267.461 2.275 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@@H]1SC ZINC000600191584 346620134 /nfs/dbraw/zinc/62/01/34/346620134.db2.gz RAYWOYJIJYTPGT-BARDWOONSA-N 2 1 286.485 2.217 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129201722 365834867 /nfs/dbraw/zinc/83/48/67/365834867.db2.gz ANHIODCUMQVIPB-HZPDHXFCSA-N 2 1 274.408 2.402 20 0 CEADMP C(=C/c1ccccc1)\C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129200552 365835796 /nfs/dbraw/zinc/83/57/96/365835796.db2.gz KDTMWDSWNONUHD-UKTKYZJWSA-N 2 1 286.419 2.354 20 0 CEADMP CCSCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600729701 346679516 /nfs/dbraw/zinc/67/95/16/346679516.db2.gz ZXRQJOBBRDGVAP-UWVGGRQHSA-N 2 1 270.364 2.199 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCc1ccc2c(c1)CCO2 ZINC000128438876 187370344 /nfs/dbraw/zinc/37/03/44/187370344.db2.gz JAQOPWWWDWFAGK-INIZCTEOSA-N 2 1 276.424 2.469 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000129479854 365863082 /nfs/dbraw/zinc/86/30/82/365863082.db2.gz BWOOAYZASLYNJY-HIFRSBDPSA-N 2 1 262.397 2.310 20 0 CEADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+]C2CCSCC2)CC1 ZINC000603517383 347377342 /nfs/dbraw/zinc/37/73/42/347377342.db2.gz SVPKNNNTIHWZTE-OAHLLOKOSA-N 2 1 284.469 2.115 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000336825168 365884296 /nfs/dbraw/zinc/88/42/96/365884296.db2.gz XJIRKSQGTWURNW-HZPDHXFCSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000336825168 365884301 /nfs/dbraw/zinc/88/43/01/365884301.db2.gz XJIRKSQGTWURNW-HZPDHXFCSA-N 2 1 277.412 2.330 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCOc3ccc(F)cc3)C[C@H]12 ZINC000336834433 365902531 /nfs/dbraw/zinc/90/25/31/365902531.db2.gz RHXZYADWPPXTKG-UHOFOFEASA-N 2 1 278.371 2.264 20 0 CEADMP Cc1ccccc1OCCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351852367 219226410 /nfs/dbraw/zinc/22/64/10/219226410.db2.gz NEXTVGRBAYXONX-HUUCEWRRSA-N 2 1 262.397 2.433 20 0 CEADMP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000130137478 365926523 /nfs/dbraw/zinc/92/65/23/365926523.db2.gz FJAOEUBQZWYACJ-AEGPPILISA-N 2 1 262.401 2.180 20 0 CEADMP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000130137478 365926528 /nfs/dbraw/zinc/92/65/28/365926528.db2.gz FJAOEUBQZWYACJ-AEGPPILISA-N 2 1 262.401 2.180 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339414476 215156936 /nfs/dbraw/zinc/15/69/36/215156936.db2.gz CCPUKOPINNCHML-MRXNPFEDSA-N 2 1 288.435 2.486 20 0 CEADMP c1nc2ccccn2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000614329350 348180021 /nfs/dbraw/zinc/18/00/21/348180021.db2.gz GASLAXVGKVGHFV-UONOGXRCSA-N 2 1 270.380 2.051 20 0 CEADMP c1nc2ccccn2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000614329350 348180024 /nfs/dbraw/zinc/18/00/24/348180024.db2.gz GASLAXVGKVGHFV-UONOGXRCSA-N 2 1 270.380 2.051 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC(C)(C)CCC[NH+](C)C ZINC000456160727 539626106 /nfs/dbraw/zinc/62/61/06/539626106.db2.gz CIYYYKRPKDKVFV-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCCC[C@H]23)CC1(C)C ZINC000623358451 349998495 /nfs/dbraw/zinc/99/84/95/349998495.db2.gz AWLFKVTUUOWLSQ-RRFJBIMHSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1(C)C ZINC000623358451 349998496 /nfs/dbraw/zinc/99/84/96/349998496.db2.gz AWLFKVTUUOWLSQ-RRFJBIMHSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1(C)C ZINC000623358451 349998499 /nfs/dbraw/zinc/99/84/99/349998499.db2.gz AWLFKVTUUOWLSQ-RRFJBIMHSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)C[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000623353234 349995770 /nfs/dbraw/zinc/99/57/70/349995770.db2.gz FJJFABZYLCMPTF-LSDHHAIUSA-N 2 1 269.477 2.425 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NC(N)=O)cc2)CC1(C)C ZINC000623352968 349996056 /nfs/dbraw/zinc/99/60/56/349996056.db2.gz VTVKYLSKXZSKSL-AWEZNQCLSA-N 2 1 290.411 2.140 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(N)=O)cc2)CC1(C)C ZINC000623352968 349996057 /nfs/dbraw/zinc/99/60/57/349996057.db2.gz VTVKYLSKXZSKSL-AWEZNQCLSA-N 2 1 290.411 2.140 20 0 CEADMP CC[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCCC1 ZINC000623354749 349996782 /nfs/dbraw/zinc/99/67/82/349996782.db2.gz FBEBWWKHJLIMST-LSDHHAIUSA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+](CC)CC ZINC000616995633 348602355 /nfs/dbraw/zinc/60/23/55/348602355.db2.gz VSWULWZMOAKKOS-LSDHHAIUSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCC[C@@H]2C)C1 ZINC000457100561 539657195 /nfs/dbraw/zinc/65/71/95/539657195.db2.gz WTJIIMJIKBHXSK-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000457100561 539657201 /nfs/dbraw/zinc/65/72/01/539657201.db2.gz WTJIIMJIKBHXSK-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000457100561 539657207 /nfs/dbraw/zinc/65/72/07/539657207.db2.gz WTJIIMJIKBHXSK-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339073846 539658028 /nfs/dbraw/zinc/65/80/28/539658028.db2.gz FUTQKCCXWQRSFT-RCBQFDQVSA-N 2 1 290.455 2.184 20 0 CEADMP CCc1cnc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000339069094 539659156 /nfs/dbraw/zinc/65/91/56/539659156.db2.gz QWRFLWDYXNCHGF-OLZOCXBDSA-N 2 1 279.453 2.464 20 0 CEADMP C[C@H](CC(C)(C)C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507449 348718163 /nfs/dbraw/zinc/71/81/63/348718163.db2.gz XEUYHHWBVJHLOS-CABCVRRESA-N 2 1 299.503 2.447 20 0 CEADMP C[C@H](CC(C)(C)C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507449 348718167 /nfs/dbraw/zinc/71/81/67/348718167.db2.gz XEUYHHWBVJHLOS-CABCVRRESA-N 2 1 299.503 2.447 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(C)CC=CCC1 ZINC000617503767 348718255 /nfs/dbraw/zinc/71/82/55/348718255.db2.gz YGDQQDFBPPXGAJ-DOTOQJQBSA-N 2 1 295.471 2.121 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(C)CC=CCC1 ZINC000617503767 348718257 /nfs/dbraw/zinc/71/82/57/348718257.db2.gz YGDQQDFBPPXGAJ-DOTOQJQBSA-N 2 1 295.471 2.121 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CC1CC(C)(C)C1 ZINC000617507894 348718483 /nfs/dbraw/zinc/71/84/83/348718483.db2.gz NVEBGSRRIZWMPJ-AWEZNQCLSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CC1CC(C)(C)C1 ZINC000617507894 348718486 /nfs/dbraw/zinc/71/84/86/348718486.db2.gz NVEBGSRRIZWMPJ-AWEZNQCLSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CC1CCCCC1 ZINC000617503629 348718849 /nfs/dbraw/zinc/71/88/49/348718849.db2.gz REETXQJKBYAVPT-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CC1CCCCC1 ZINC000617503629 348718850 /nfs/dbraw/zinc/71/88/50/348718850.db2.gz REETXQJKBYAVPT-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[NH+](C)C ZINC000617757937 348782059 /nfs/dbraw/zinc/78/20/59/348782059.db2.gz DKFHSFDPURIEJP-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCOC1 ZINC000459794314 290242795 /nfs/dbraw/zinc/24/27/95/290242795.db2.gz UIQWGYNKXWSGCC-SOUVJXGZSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000620623936 349407047 /nfs/dbraw/zinc/40/70/47/349407047.db2.gz IWWSWOKWSVNSPZ-ZIAGYGMSSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623383868 350005294 /nfs/dbraw/zinc/00/52/94/350005294.db2.gz DVYGHSCCYDYNOZ-GJZGRUSLSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CC[C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623383868 350005298 /nfs/dbraw/zinc/00/52/98/350005298.db2.gz DVYGHSCCYDYNOZ-GJZGRUSLSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CC[C@@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623383868 350005300 /nfs/dbraw/zinc/00/53/00/350005300.db2.gz DVYGHSCCYDYNOZ-GJZGRUSLSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623383868 350005303 /nfs/dbraw/zinc/00/53/03/350005303.db2.gz DVYGHSCCYDYNOZ-GJZGRUSLSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623383868 350005305 /nfs/dbraw/zinc/00/53/05/350005305.db2.gz DVYGHSCCYDYNOZ-GJZGRUSLSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CC[C@@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623383868 350005309 /nfs/dbraw/zinc/00/53/09/350005309.db2.gz DVYGHSCCYDYNOZ-GJZGRUSLSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623383868 350005313 /nfs/dbraw/zinc/00/53/13/350005313.db2.gz DVYGHSCCYDYNOZ-GJZGRUSLSA-N 3 1 267.461 2.179 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(CC(F)F)CC2)CC1(C)C ZINC000623386018 350006172 /nfs/dbraw/zinc/00/61/72/350006172.db2.gz HLVFGRQPDPYPOA-CYBMUJFWSA-N 2 1 289.414 2.178 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)CC1(C)C ZINC000623421747 350015535 /nfs/dbraw/zinc/01/55/35/350015535.db2.gz YQRVFBNWIHPEAI-JKSUJKDBSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc3n[nH]cc32)CC[N@H+]1C ZINC000623430864 350018383 /nfs/dbraw/zinc/01/83/83/350018383.db2.gz JNNNMQQOSLFOHT-DGCLKSJQSA-N 2 1 258.369 2.135 20 0 CEADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623436502 350020401 /nfs/dbraw/zinc/02/04/01/350020401.db2.gz VEFBTURLXNHMFM-ZIAGYGMSSA-N 2 1 256.434 2.248 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccccc2)CC1(C)C ZINC000623440713 350020923 /nfs/dbraw/zinc/02/09/23/350020923.db2.gz HPPINFPYTUYPIW-CVEARBPZSA-N 2 1 276.424 2.225 20 0 CEADMP CC(C)n1cc(CNC[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623656064 350075719 /nfs/dbraw/zinc/07/57/19/350075719.db2.gz MELPMKKNDXDPSZ-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP CC(C)n1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000623656064 350075722 /nfs/dbraw/zinc/07/57/22/350075722.db2.gz MELPMKKNDXDPSZ-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP CC(C)n1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623656064 350075725 /nfs/dbraw/zinc/07/57/25/350075725.db2.gz MELPMKKNDXDPSZ-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623504589 350036107 /nfs/dbraw/zinc/03/61/07/350036107.db2.gz VICBAOPRICRISZ-DLBZAZTESA-N 2 1 290.451 2.361 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623524239 350040519 /nfs/dbraw/zinc/04/05/19/350040519.db2.gz JYOSKEGWQJBQIH-GJZGRUSLSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623524239 350040521 /nfs/dbraw/zinc/04/05/21/350040521.db2.gz JYOSKEGWQJBQIH-GJZGRUSLSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623524239 350040525 /nfs/dbraw/zinc/04/05/25/350040525.db2.gz JYOSKEGWQJBQIH-GJZGRUSLSA-N 2 1 267.461 2.323 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC1(C)C ZINC000623561105 350051406 /nfs/dbraw/zinc/05/14/06/350051406.db2.gz BGMRJYXPVIYTMT-KBMXLJTQSA-N 2 1 274.408 2.107 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC1(C)C ZINC000623561105 350051409 /nfs/dbraw/zinc/05/14/09/350051409.db2.gz BGMRJYXPVIYTMT-KBMXLJTQSA-N 2 1 274.408 2.107 20 0 CEADMP C(=C\C[N@H+]1CCCSCC1)\C[NH+]1CCCSCC1 ZINC000340781982 539749988 /nfs/dbraw/zinc/74/99/88/539749988.db2.gz UMUXAVMDSDDUSY-UPHRSURJSA-N 2 1 286.510 2.420 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cnc3cnccn23)C[C@H]1n1ccnc1 ZINC000271234927 191019007 /nfs/dbraw/zinc/01/90/07/191019007.db2.gz DFLKDDFFPITHKI-DZGCQCFKSA-N 2 1 296.378 2.009 20 0 CEADMP C[C@H]1CCN(Cc2cnc3cnccn23)C[C@H]1n1ccnc1 ZINC000271234927 191019009 /nfs/dbraw/zinc/01/90/09/191019009.db2.gz DFLKDDFFPITHKI-DZGCQCFKSA-N 2 1 296.378 2.009 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCCO2)CC1 ZINC000623903065 350138873 /nfs/dbraw/zinc/13/88/73/350138873.db2.gz YIQTTZWONYFZPM-NVXWUHKLSA-N 2 1 298.471 2.423 20 0 CEADMP Cc1csc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623977896 350160154 /nfs/dbraw/zinc/16/01/54/350160154.db2.gz DGKNPVXKNZIRLG-CYBMUJFWSA-N 2 1 296.484 2.128 20 0 CEADMP CCC[NH+]1CCC(NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624119808 350198600 /nfs/dbraw/zinc/19/86/00/350198600.db2.gz KCQMNWGTOAJLKW-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000624119808 350198603 /nfs/dbraw/zinc/19/86/03/350198603.db2.gz KCQMNWGTOAJLKW-OAHLLOKOSA-N 3 1 267.461 2.182 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624119808 350198606 /nfs/dbraw/zinc/19/86/06/350198606.db2.gz KCQMNWGTOAJLKW-OAHLLOKOSA-N 3 1 267.461 2.182 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C)n1 ZINC000624121199 350198706 /nfs/dbraw/zinc/19/87/06/350198706.db2.gz PYGADUXFTGHIMB-SWLSCSKDSA-N 2 1 276.428 2.476 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)n1 ZINC000624121199 350198710 /nfs/dbraw/zinc/19/87/10/350198710.db2.gz PYGADUXFTGHIMB-SWLSCSKDSA-N 2 1 276.428 2.476 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121997 350199862 /nfs/dbraw/zinc/19/98/62/350199862.db2.gz HOEQHXTUCPBKSY-DGCLKSJQSA-N 2 1 250.390 2.101 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121997 350199865 /nfs/dbraw/zinc/19/98/65/350199865.db2.gz HOEQHXTUCPBKSY-DGCLKSJQSA-N 2 1 250.390 2.101 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCOC1 ZINC000624122282 350200090 /nfs/dbraw/zinc/20/00/90/350200090.db2.gz NRBMEBIQWIJBKP-RRFJBIMHSA-N 2 1 254.418 2.123 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188533 350223180 /nfs/dbraw/zinc/22/31/80/350223180.db2.gz UHZNNXLEVNOFKQ-GDBMZVCRSA-N 2 1 288.439 2.404 20 0 CEADMP CC(C)n1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)n1 ZINC000091847345 180271340 /nfs/dbraw/zinc/27/13/40/180271340.db2.gz QGVXPWHKOVXAOE-UHFFFAOYSA-N 2 1 250.390 2.166 20 0 CEADMP O[C@@H]1CC[N@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000624685826 350340457 /nfs/dbraw/zinc/34/04/57/350340457.db2.gz XASFMVLUOZIXKJ-GFCCVEGCSA-N 2 1 291.782 2.367 20 0 CEADMP O[C@@H]1CC[N@@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000624685826 350340460 /nfs/dbraw/zinc/34/04/60/350340460.db2.gz XASFMVLUOZIXKJ-GFCCVEGCSA-N 2 1 291.782 2.367 20 0 CEADMP CCc1nn(C)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000092409507 180380164 /nfs/dbraw/zinc/38/01/64/180380164.db2.gz AXZDQXVYUKMYNH-GOOCMWNKSA-N 2 1 276.428 2.087 20 0 CEADMP CCO[C@H](C[N@@H+](C)CCC[NH+]1CCCC1)C1CC1 ZINC000625388421 350487336 /nfs/dbraw/zinc/48/73/36/350487336.db2.gz PCRJOSFXBRVXSY-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccccc2CO)CC1 ZINC000151770213 539799126 /nfs/dbraw/zinc/79/91/26/539799126.db2.gz MLIWSZFRNQUTHQ-UHFFFAOYSA-N 2 1 262.397 2.143 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000107368683 186171770 /nfs/dbraw/zinc/17/17/70/186171770.db2.gz MCHOJSWLXQMZFS-QGZVFWFLSA-N 2 1 291.414 2.038 20 0 CEADMP CC[C@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)CC[C@@H]1[NH3+] ZINC000147489307 539800463 /nfs/dbraw/zinc/80/04/63/539800463.db2.gz JTVPXLVHANOGAO-HOCLYGCPSA-N 2 1 274.408 2.223 20 0 CEADMP CCO[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000625425026 350494941 /nfs/dbraw/zinc/49/49/41/350494941.db2.gz ZSBGTDQELJQZQC-VFSICIBPSA-N 2 1 266.429 2.359 20 0 CEADMP CCO[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000625425026 350494945 /nfs/dbraw/zinc/49/49/45/350494945.db2.gz ZSBGTDQELJQZQC-VFSICIBPSA-N 2 1 266.429 2.359 20 0 CEADMP CCO[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000625425026 350494950 /nfs/dbraw/zinc/49/49/50/350494950.db2.gz ZSBGTDQELJQZQC-VFSICIBPSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)Oc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107578073 186179073 /nfs/dbraw/zinc/17/90/73/186179073.db2.gz LBSDREHIHDLFRB-GASCZTMLSA-N 2 1 260.381 2.125 20 0 CEADMP CC(C)Oc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107578073 186179075 /nfs/dbraw/zinc/17/90/75/186179075.db2.gz LBSDREHIHDLFRB-GASCZTMLSA-N 2 1 260.381 2.125 20 0 CEADMP Cc1cc(C)cc(OCCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107578956 186181197 /nfs/dbraw/zinc/18/11/97/186181197.db2.gz QIXSODWJHMHMFW-IYBDPMFKSA-N 2 1 274.408 2.224 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC1 ZINC000151823850 539802307 /nfs/dbraw/zinc/80/23/07/539802307.db2.gz UXOLVRZOZTUUHC-DLBZAZTESA-N 2 1 274.408 2.109 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000108370219 186213859 /nfs/dbraw/zinc/21/38/59/186213859.db2.gz MOUKESLDKMIKIA-QGZVFWFLSA-N 2 1 276.424 2.052 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000360964681 282711565 /nfs/dbraw/zinc/71/15/65/282711565.db2.gz WSEAKDSNDKJKJI-SQWLQELKSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1ccc(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1F ZINC000110649853 186310140 /nfs/dbraw/zinc/31/01/40/186310140.db2.gz RPQRQBVEVWSZOT-LBPRGKRZSA-N 2 1 293.386 2.132 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3n[nH]cc32)CC[N@@H+]1C ZINC000628183688 350995047 /nfs/dbraw/zinc/99/50/47/350995047.db2.gz KEEVHZVKHIMGLB-TZMCWYRMSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3n[nH]cc32)CC[N@H+]1C ZINC000628183688 350995049 /nfs/dbraw/zinc/99/50/49/350995049.db2.gz KEEVHZVKHIMGLB-TZMCWYRMSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc3n[nH]cc32)CC[NH+]1C ZINC000628183688 350995051 /nfs/dbraw/zinc/99/50/51/350995051.db2.gz KEEVHZVKHIMGLB-TZMCWYRMSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3n[nH]cc32)CC[NH+]1C ZINC000628183688 350995053 /nfs/dbraw/zinc/99/50/53/350995053.db2.gz KEEVHZVKHIMGLB-TZMCWYRMSA-N 2 1 272.396 2.477 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@]1(C)CCCS1 ZINC000628190574 350998043 /nfs/dbraw/zinc/99/80/43/350998043.db2.gz KAMKYKNOKDIHCZ-KLHDSHLOSA-N 2 1 298.496 2.456 20 0 CEADMP CN(CC[N@@H+](C)C[C@@]1(C)CCCS1)C1CC[NH+](C)CC1 ZINC000628277702 351037677 /nfs/dbraw/zinc/03/76/77/351037677.db2.gz FFSSXANJYVAFHQ-MRXNPFEDSA-N 2 1 299.528 2.230 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc4n[nH]cc43)C2)C1 ZINC000628292578 351045068 /nfs/dbraw/zinc/04/50/68/351045068.db2.gz KNIXWKRFSATUQH-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc4n[nH]cc43)C2)C1 ZINC000628292578 351045071 /nfs/dbraw/zinc/04/50/71/351045071.db2.gz KNIXWKRFSATUQH-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc4n[nH]cc43)C2)C1 ZINC000628292578 351045073 /nfs/dbraw/zinc/04/50/73/351045073.db2.gz KNIXWKRFSATUQH-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@]3(C)CCCS3)C2)C1 ZINC000628292784 351045888 /nfs/dbraw/zinc/04/58/88/351045888.db2.gz UBPCXYCWQQFYBB-UONOGXRCSA-N 2 1 254.443 2.300 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@]3(C)CCCS3)C2)C1 ZINC000628292784 351045891 /nfs/dbraw/zinc/04/58/91/351045891.db2.gz UBPCXYCWQQFYBB-UONOGXRCSA-N 2 1 254.443 2.300 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@]3(C)CCCS3)C2)C1 ZINC000628292784 351045892 /nfs/dbraw/zinc/04/58/92/351045892.db2.gz UBPCXYCWQQFYBB-UONOGXRCSA-N 2 1 254.443 2.300 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000628308628 351054855 /nfs/dbraw/zinc/05/48/55/351054855.db2.gz AGDWDDBUOLJSLS-AWEZNQCLSA-N 2 1 284.407 2.451 20 0 CEADMP C[C@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)[NH+]1CCCCCC1 ZINC000628753366 351183742 /nfs/dbraw/zinc/18/37/42/351183742.db2.gz XRAKAYLRLQFCEY-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3sccc32)CCOCC1 ZINC000629521356 351387814 /nfs/dbraw/zinc/38/78/14/351387814.db2.gz NFFJOXJITOVNOC-GFCCVEGCSA-N 2 1 266.410 2.223 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000629545142 351406146 /nfs/dbraw/zinc/40/61/46/351406146.db2.gz CBTBDJLJBCAFQF-NKKGCODLSA-N 2 1 274.408 2.102 20 0 CEADMP CCO[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000629533799 351397380 /nfs/dbraw/zinc/39/73/80/351397380.db2.gz WLQPZCYNKXEZAX-ARFHVFGLSA-N 2 1 266.429 2.408 20 0 CEADMP CCO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000629533799 351397382 /nfs/dbraw/zinc/39/73/82/351397382.db2.gz WLQPZCYNKXEZAX-ARFHVFGLSA-N 2 1 266.429 2.408 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C[C@H]1OC ZINC000629534708 351398472 /nfs/dbraw/zinc/39/84/72/351398472.db2.gz AVKXBZJJPCUOPI-AAVRWANBSA-N 2 1 254.418 2.310 20 0 CEADMP CO[C@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)c1ccc(F)cc1 ZINC000629537043 351399391 /nfs/dbraw/zinc/39/93/91/351399391.db2.gz MZBLTEWNYPRNEE-ZIAGYGMSSA-N 2 1 268.376 2.476 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])C1CC1 ZINC000629541266 351402451 /nfs/dbraw/zinc/40/24/51/351402451.db2.gz XMFVTGUYKUBIKF-AEGPPILISA-N 2 1 254.418 2.251 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000629391074 351348496 /nfs/dbraw/zinc/34/84/96/351348496.db2.gz UJUAOAMQZIVODD-BHYGNILZSA-N 2 1 274.408 2.283 20 0 CEADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629408433 351354587 /nfs/dbraw/zinc/35/45/87/351354587.db2.gz VETFWYRVYNGZSW-VBNZEHGJSA-N 2 1 280.387 2.113 20 0 CEADMP CCc1noc(C2CCC([NH2+][C@H]3CC[C@@H](C)[NH2+]C3)CC2)n1 ZINC000629415794 351356768 /nfs/dbraw/zinc/35/67/68/351356768.db2.gz SGZUXAKHVORKPN-RYSNWHEDSA-N 2 1 292.427 2.388 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1(C)C ZINC000629542984 351403806 /nfs/dbraw/zinc/40/38/06/351403806.db2.gz QJQKSLJTEVJIJN-XJFOESAGSA-N 2 1 254.418 2.309 20 0 CEADMP CO[C@H](C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629594030 351427142 /nfs/dbraw/zinc/42/71/42/351427142.db2.gz JIQKLJGEDFHBBC-ZACQAIPSSA-N 2 1 274.408 2.306 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629594030 351427146 /nfs/dbraw/zinc/42/71/46/351427146.db2.gz JIQKLJGEDFHBBC-ZACQAIPSSA-N 2 1 274.408 2.306 20 0 CEADMP C1=C(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)COCC1 ZINC000629653448 351450835 /nfs/dbraw/zinc/45/08/35/351450835.db2.gz IYIANMRCIMBVNZ-HOTGVXAUSA-N 2 1 264.413 2.045 20 0 CEADMP COCc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000629652943 351450926 /nfs/dbraw/zinc/45/09/26/351450926.db2.gz FYBZXOSJMKIYMK-KBPBESRZSA-N 2 1 278.396 2.248 20 0 CEADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)CCOCC[NH2+]C)C1 ZINC000629654392 351452685 /nfs/dbraw/zinc/45/26/85/351452685.db2.gz QPOGXWMAGDPJNI-CABCVRRESA-N 2 1 256.434 2.371 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc3c(c1)CCO3)C2 ZINC000629666450 351457690 /nfs/dbraw/zinc/45/76/90/351457690.db2.gz PFXBVVIEAUYYSU-CALCHBBNSA-N 2 1 272.392 2.053 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc3c(c1)CCO3)C2 ZINC000629666450 351457694 /nfs/dbraw/zinc/45/76/94/351457694.db2.gz PFXBVVIEAUYYSU-CALCHBBNSA-N 2 1 272.392 2.053 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)c2ccccc21 ZINC000629550377 351409529 /nfs/dbraw/zinc/40/95/29/351409529.db2.gz XZNMSMKSQVJVGT-MWNCTCPHSA-N 2 1 258.365 2.288 20 0 CEADMP CC[C@H](C)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564255 351415565 /nfs/dbraw/zinc/41/55/65/351415565.db2.gz SERRKSRCMRCZHG-AXFHLTTASA-N 2 1 252.324 2.492 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1cc(OC)ccc1Cl ZINC000629571573 351419626 /nfs/dbraw/zinc/41/96/26/351419626.db2.gz WZJXGRRSUPWVFV-UHFFFAOYSA-N 2 1 286.803 2.016 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(OC)ccc1Cl ZINC000629571573 351419630 /nfs/dbraw/zinc/41/96/30/351419630.db2.gz WZJXGRRSUPWVFV-UHFFFAOYSA-N 2 1 286.803 2.016 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(C(F)F)cc1 ZINC000629578120 351420203 /nfs/dbraw/zinc/42/02/03/351420203.db2.gz MODNMAPAQPZZFU-UHFFFAOYSA-N 2 1 258.312 2.031 20 0 CEADMP C[N@@H+](CCOCC[NH3+])CCc1ccc2ccccc2c1 ZINC000629578707 351420760 /nfs/dbraw/zinc/42/07/60/351420760.db2.gz LTRGTMANGURGOY-UHFFFAOYSA-N 2 1 272.392 2.289 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149663 363036668 /nfs/dbraw/zinc/03/66/68/363036668.db2.gz MTLBJQIBVQHSBW-MRXNPFEDSA-N 2 1 297.487 2.330 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149663 363036674 /nfs/dbraw/zinc/03/66/74/363036674.db2.gz MTLBJQIBVQHSBW-MRXNPFEDSA-N 2 1 297.487 2.330 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000070170650 363043892 /nfs/dbraw/zinc/04/38/92/363043892.db2.gz GXCDXAQTIVLUBW-CQSZACIVSA-N 2 1 275.396 2.076 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1F ZINC000070171113 363045421 /nfs/dbraw/zinc/04/54/21/363045421.db2.gz XESLVESKMHENMF-ZDUSSCGKSA-N 2 1 293.386 2.133 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000070173992 363047115 /nfs/dbraw/zinc/04/71/15/363047115.db2.gz NMEKIFSRDDBBPG-GOEBONIOSA-N 2 1 284.407 2.432 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000630022480 351588449 /nfs/dbraw/zinc/58/84/49/351588449.db2.gz HWXUHSDOXRGSIE-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000630022480 351588453 /nfs/dbraw/zinc/58/84/53/351588453.db2.gz HWXUHSDOXRGSIE-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000630022480 351588458 /nfs/dbraw/zinc/58/84/58/351588458.db2.gz HWXUHSDOXRGSIE-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000131417676 366051179 /nfs/dbraw/zinc/05/11/79/366051179.db2.gz RCIHUSXTHQOUII-GFCCVEGCSA-N 2 1 264.417 2.476 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000569117803 299181709 /nfs/dbraw/zinc/18/17/09/299181709.db2.gz QPUVYLVCOYXCQI-JYJNAYRXSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+](C)C ZINC000291704845 198065040 /nfs/dbraw/zinc/06/50/40/198065040.db2.gz KPOCUNWUQOWAGU-RYRKJORJSA-N 2 1 289.467 2.294 20 0 CEADMP C[C@H](C[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C)C[NH+](C)C ZINC000291704845 198065042 /nfs/dbraw/zinc/06/50/42/198065042.db2.gz KPOCUNWUQOWAGU-RYRKJORJSA-N 2 1 289.467 2.294 20 0 CEADMP COc1ccccc1OCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123356644 187086891 /nfs/dbraw/zinc/08/68/91/187086891.db2.gz ADCARAVNCYKCTM-HUUCEWRRSA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123356644 187086892 /nfs/dbraw/zinc/08/68/92/187086892.db2.gz ADCARAVNCYKCTM-HUUCEWRRSA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccccc1OCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123356644 187086893 /nfs/dbraw/zinc/08/68/93/187086893.db2.gz ADCARAVNCYKCTM-HUUCEWRRSA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccccc1OCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123356644 187086894 /nfs/dbraw/zinc/08/68/94/187086894.db2.gz ADCARAVNCYKCTM-HUUCEWRRSA-N 2 1 292.423 2.489 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000123478434 187094628 /nfs/dbraw/zinc/09/46/28/187094628.db2.gz PUVDDZAMMYIPAM-BMFZPTHFSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccccc2)CC[N@H+]1C ZINC000123478434 187094629 /nfs/dbraw/zinc/09/46/29/187094629.db2.gz PUVDDZAMMYIPAM-BMFZPTHFSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccccc2)CC[NH+]1C ZINC000123478434 187094630 /nfs/dbraw/zinc/09/46/30/187094630.db2.gz PUVDDZAMMYIPAM-BMFZPTHFSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccccc2)CC[NH+]1C ZINC000123478434 187094631 /nfs/dbraw/zinc/09/46/31/187094631.db2.gz PUVDDZAMMYIPAM-BMFZPTHFSA-N 2 1 262.397 2.135 20 0 CEADMP c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)n(CC2CCC2)n1 ZINC000631039407 351933033 /nfs/dbraw/zinc/93/30/33/351933033.db2.gz IWIRXZUIIYBUSU-HNNXBMFYSA-N 2 1 288.439 2.257 20 0 CEADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)n(CC2CCC2)n1 ZINC000631039407 351933035 /nfs/dbraw/zinc/93/30/35/351933035.db2.gz IWIRXZUIIYBUSU-HNNXBMFYSA-N 2 1 288.439 2.257 20 0 CEADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@H]2CC)CC1 ZINC000631190332 352008902 /nfs/dbraw/zinc/00/89/02/352008902.db2.gz YWGQKISQMVUEOA-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC000631196233 352010848 /nfs/dbraw/zinc/01/08/48/352010848.db2.gz PGOYPZWWJLKCFQ-QAPCUYQASA-N 2 1 298.434 2.278 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC000631196233 352010850 /nfs/dbraw/zinc/01/08/50/352010850.db2.gz PGOYPZWWJLKCFQ-QAPCUYQASA-N 2 1 298.434 2.278 20 0 CEADMP CC(C)n1ncnc1CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000631178936 352002702 /nfs/dbraw/zinc/00/27/02/352002702.db2.gz NLNMQWOQVGUUCB-OAHLLOKOSA-N 2 1 291.443 2.071 20 0 CEADMP C[NH+](C)[C@@H]1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000271468328 191155113 /nfs/dbraw/zinc/15/51/13/191155113.db2.gz YILIVFQPJNIJOT-MSOLQXFVSA-N 2 1 287.451 2.287 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCC[C@H]1C ZINC000343623492 539855232 /nfs/dbraw/zinc/85/52/32/539855232.db2.gz JAEFFDBZXHVENQ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000343623492 539855239 /nfs/dbraw/zinc/85/52/39/539855239.db2.gz JAEFFDBZXHVENQ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000343623492 539855245 /nfs/dbraw/zinc/85/52/45/539855245.db2.gz JAEFFDBZXHVENQ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CO)CCCCC2)[C@H](C)C1 ZINC000678595511 539893160 /nfs/dbraw/zinc/89/31/60/539893160.db2.gz BACUBGLVBPOWMD-HUUCEWRRSA-N 2 1 268.445 2.249 20 0 CEADMP CC[C@@H]1C[N@H+](CC(=O)N(CC)C2CCCCC2)CC[C@H]1[NH3+] ZINC000251563026 539978433 /nfs/dbraw/zinc/97/84/33/539978433.db2.gz BOOBJVXEOVGQHT-GDBMZVCRSA-N 2 1 295.471 2.227 20 0 CEADMP CC[C@@H]1C[N@@H+](CC(=O)N(CC)C2CCCCC2)CC[C@H]1[NH3+] ZINC000251563026 539978436 /nfs/dbraw/zinc/97/84/36/539978436.db2.gz BOOBJVXEOVGQHT-GDBMZVCRSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C[C@@H]1C ZINC000565218444 313809276 /nfs/dbraw/zinc/80/92/76/313809276.db2.gz OCUIFGIBXVWGOC-ILXRZTDVSA-N 2 1 268.445 2.248 20 0 CEADMP CC1CCC(O)(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000251892356 539994046 /nfs/dbraw/zinc/99/40/46/539994046.db2.gz RXFOYGCIHPIVKB-PYBGIAKNSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3[nH]c(=O)ccc32)CC[N@@H+]1C ZINC000253619654 540001192 /nfs/dbraw/zinc/00/11/92/540001192.db2.gz UVVZMUSZTXTPTN-BZPMIXESSA-N 2 1 275.396 2.237 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3[nH]c(=O)ccc32)CC[N@H+]1C ZINC000253619654 540001194 /nfs/dbraw/zinc/00/11/94/540001194.db2.gz UVVZMUSZTXTPTN-BZPMIXESSA-N 2 1 275.396 2.237 20 0 CEADMP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000158718862 188391245 /nfs/dbraw/zinc/39/12/45/188391245.db2.gz YDYUYVLJVHNBRA-CYBMUJFWSA-N 2 1 298.452 2.083 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000494921943 291004976 /nfs/dbraw/zinc/00/49/76/291004976.db2.gz JZNQXVKVULNTBJ-ARFHVFGLSA-N 2 1 267.461 2.038 20 0 CEADMP CCOC(=O)CCCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000132912040 366180510 /nfs/dbraw/zinc/18/05/10/366180510.db2.gz JOZQTUHDKXYYAS-UHFFFAOYSA-N 2 1 270.417 2.182 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000338011760 366190117 /nfs/dbraw/zinc/19/01/17/366190117.db2.gz OPMGXMSTHBKDQR-INIZCTEOSA-N 2 1 288.439 2.262 20 0 CEADMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CC2)[C@H]1c1cccs1 ZINC000361943288 283041599 /nfs/dbraw/zinc/04/15/99/283041599.db2.gz KRCZTXAVWGWRET-GWCFXTLKSA-N 2 1 278.425 2.017 20 0 CEADMP CO[C@@H](C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000402761273 540110422 /nfs/dbraw/zinc/11/04/22/540110422.db2.gz FXCNUPQWRISLQF-ULQDDVLXSA-N 2 1 274.408 2.435 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000569928376 299227094 /nfs/dbraw/zinc/22/70/94/299227094.db2.gz NNRIZIJNVVIQPP-TUAOUCFPSA-N 2 1 264.394 2.009 20 0 CEADMP CC[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379651441 540119184 /nfs/dbraw/zinc/11/91/84/540119184.db2.gz UMBLPJZWWQTQGH-BHYGNILZSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379651441 540119187 /nfs/dbraw/zinc/11/91/87/540119187.db2.gz UMBLPJZWWQTQGH-BHYGNILZSA-N 2 1 276.424 2.400 20 0 CEADMP COCc1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000271837668 191358955 /nfs/dbraw/zinc/35/89/55/191358955.db2.gz QDFHINONPRDWPJ-UHFFFAOYSA-N 2 1 260.381 2.185 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccnn2C)C(C)C)[C@H](C)C1 ZINC000682647363 540130755 /nfs/dbraw/zinc/13/07/55/540130755.db2.gz PZDDHFXXZWHYPN-PMPSAXMXSA-N 2 1 292.471 2.480 20 0 CEADMP Cn1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(-c2ccccc2)n1 ZINC000271870436 191380741 /nfs/dbraw/zinc/38/07/41/191380741.db2.gz KIEPFHRZLSJHTK-UHFFFAOYSA-N 2 1 296.418 2.439 20 0 CEADMP COc1cccc(C[NH2+]CCn2cc[nH+]c2C)c1F ZINC000382016328 540145460 /nfs/dbraw/zinc/14/54/60/540145460.db2.gz OEPBNYOQKJJSDZ-UHFFFAOYSA-N 2 1 263.316 2.129 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H](CO)CC(C)(C)C ZINC000451776987 283102227 /nfs/dbraw/zinc/10/22/27/283102227.db2.gz AXFOHLXDDDYZIF-KBPBESRZSA-N 2 1 256.434 2.200 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](CO)CC(C)(C)C ZINC000451776987 283102229 /nfs/dbraw/zinc/10/22/29/283102229.db2.gz AXFOHLXDDDYZIF-KBPBESRZSA-N 2 1 256.434 2.200 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](CO)CC(C)(C)C ZINC000451776987 283102233 /nfs/dbraw/zinc/10/22/33/283102233.db2.gz AXFOHLXDDDYZIF-KBPBESRZSA-N 2 1 256.434 2.200 20 0 CEADMP CC(C)[N@H+](C)CC1CC[NH+](CCC[C@@H](C)O)CC1 ZINC000574251297 314200584 /nfs/dbraw/zinc/20/05/84/314200584.db2.gz DECVKCOCHZNREF-CQSZACIVSA-N 2 1 256.434 2.200 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCOCC2)[C@H]2CCC[C@H]21 ZINC000353616994 283134135 /nfs/dbraw/zinc/13/41/35/283134135.db2.gz CKPOFIAXUIMCLU-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP COC[C@H]1CCCC[NH+]1CCC[N@@H+]1CCCC[C@@H]1COC ZINC000452046744 283170796 /nfs/dbraw/zinc/17/07/96/283170796.db2.gz YXMZFUWTJSMNIS-IAGOWNOFSA-N 2 1 298.471 2.378 20 0 CEADMP CCC1(C)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000385930124 540243647 /nfs/dbraw/zinc/24/36/47/540243647.db2.gz KPMUTACBWUNELZ-AWEZNQCLSA-N 2 1 256.434 2.200 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1scnc1C1CC1 ZINC000414933266 540248126 /nfs/dbraw/zinc/24/81/26/540248126.db2.gz DLEWWRLENRFIOB-GXSJLCMTSA-N 2 1 251.399 2.108 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cnn(C)c1C ZINC000338292826 366277962 /nfs/dbraw/zinc/27/79/62/366277962.db2.gz RJBVBYVOTQGBCI-GFCCVEGCSA-N 2 1 252.406 2.111 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC[C@@H](C)C1 ZINC000386384089 540252807 /nfs/dbraw/zinc/25/28/07/540252807.db2.gz UJRNAAOTWSWIQW-ILXRZTDVSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000386384089 540252810 /nfs/dbraw/zinc/25/28/10/540252810.db2.gz UJRNAAOTWSWIQW-ILXRZTDVSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000386384089 540252813 /nfs/dbraw/zinc/25/28/13/540252813.db2.gz UJRNAAOTWSWIQW-ILXRZTDVSA-N 2 1 256.434 2.198 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCO[C@H]2CCCCO2)CC[N@@H+]1C ZINC000338305247 366284611 /nfs/dbraw/zinc/28/46/11/366284611.db2.gz LFPPXTSYYSQTEB-PMPSAXMXSA-N 2 1 284.444 2.334 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCO[C@H]2CCCCO2)CC[N@H+]1C ZINC000338305247 366284613 /nfs/dbraw/zinc/28/46/13/366284613.db2.gz LFPPXTSYYSQTEB-PMPSAXMXSA-N 2 1 284.444 2.334 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCCO[C@H]2CCCCO2)CC[NH+]1C ZINC000338305247 366284618 /nfs/dbraw/zinc/28/46/18/366284618.db2.gz LFPPXTSYYSQTEB-PMPSAXMXSA-N 2 1 284.444 2.334 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCO[C@H]2CCCCO2)CC[NH+]1C ZINC000338305247 366284625 /nfs/dbraw/zinc/28/46/25/366284625.db2.gz LFPPXTSYYSQTEB-PMPSAXMXSA-N 2 1 284.444 2.334 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000496125277 291109726 /nfs/dbraw/zinc/10/97/26/291109726.db2.gz QWKGMZNDVPNPMQ-AWEZNQCLSA-N 2 1 299.459 2.223 20 0 CEADMP CCNC(=O)OC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000496134722 291110690 /nfs/dbraw/zinc/11/06/90/291110690.db2.gz SWILWRCDUDSCTF-LSDHHAIUSA-N 2 1 297.443 2.071 20 0 CEADMP CCNC(=O)OC[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000496134722 291110694 /nfs/dbraw/zinc/11/06/94/291110694.db2.gz SWILWRCDUDSCTF-LSDHHAIUSA-N 2 1 297.443 2.071 20 0 CEADMP CCNC(=O)OC[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000496134722 291110696 /nfs/dbraw/zinc/11/06/96/291110696.db2.gz SWILWRCDUDSCTF-LSDHHAIUSA-N 2 1 297.443 2.071 20 0 CEADMP CCNC(=O)OC[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000496134722 291110699 /nfs/dbraw/zinc/11/06/99/291110699.db2.gz SWILWRCDUDSCTF-LSDHHAIUSA-N 2 1 297.443 2.071 20 0 CEADMP CCOc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)c1O ZINC000076275307 363532572 /nfs/dbraw/zinc/53/25/72/363532572.db2.gz HYGVWUSJRZBZGT-UHFFFAOYSA-N 2 1 286.803 2.486 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2C2CC2)[C@@H](C)C1 ZINC000570273788 299250643 /nfs/dbraw/zinc/25/06/43/299250643.db2.gz XIQWGFFZDWXSBH-XIRDDKMYSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@@H](C)C1 ZINC000570273788 299250646 /nfs/dbraw/zinc/25/06/46/299250646.db2.gz XIQWGFFZDWXSBH-XIRDDKMYSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+]2C2CC2)[C@@H](C)C1 ZINC000570273788 299250647 /nfs/dbraw/zinc/25/06/47/299250647.db2.gz XIQWGFFZDWXSBH-XIRDDKMYSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)[C@@H](C)C1 ZINC000570273788 299250650 /nfs/dbraw/zinc/25/06/50/299250650.db2.gz XIQWGFFZDWXSBH-XIRDDKMYSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)[C@@H](C)C1 ZINC000570273788 299250651 /nfs/dbraw/zinc/25/06/51/299250651.db2.gz XIQWGFFZDWXSBH-XIRDDKMYSA-N 2 1 279.472 2.323 20 0 CEADMP CCOc1c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(C)nn1CC(C)C ZINC000570332401 299254244 /nfs/dbraw/zinc/25/42/44/299254244.db2.gz POSSRTMFHMFWCE-CHWSQXEVSA-N 2 1 296.459 2.462 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1CO[C@H](C2CC2)C1)C1CC1 ZINC000668229585 538749555 /nfs/dbraw/zinc/74/95/55/538749555.db2.gz MWTIDRNBCCYKOS-HIFRSBDPSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)(C)O ZINC000087817283 538807172 /nfs/dbraw/zinc/80/71/72/538807172.db2.gz LZUVPTWKRDXFIU-AWEZNQCLSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@H](Nc1cc[nH+]c2ccccc12)[C@H]1C[N@H+](C)CCO1 ZINC000154846322 540277819 /nfs/dbraw/zinc/27/78/19/540277819.db2.gz GUZGAOWNBYBMQB-BLLLJJGKSA-N 2 1 271.364 2.366 20 0 CEADMP C[C@H](Nc1cc[nH+]c2ccccc12)[C@H]1C[N@@H+](C)CCO1 ZINC000154846322 540277821 /nfs/dbraw/zinc/27/78/21/540277821.db2.gz GUZGAOWNBYBMQB-BLLLJJGKSA-N 2 1 271.364 2.366 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](CCO)CC2CCCCC2)CC[NH2+]1 ZINC000414732983 291121352 /nfs/dbraw/zinc/12/13/52/291121352.db2.gz CAINZORCJITSCB-GOEBONIOSA-N 2 1 268.445 2.249 20 0 CEADMP CC(C)(C)OC(=O)NCCC[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000496314299 291127965 /nfs/dbraw/zinc/12/79/65/291127965.db2.gz ZKUNMIDYQFLTTI-UHFFFAOYSA-N 2 1 299.459 2.365 20 0 CEADMP CC(C)(C)OC(=O)NCCC[NH2+]CC[N@H+]1CCCC1(C)C ZINC000496314299 291127967 /nfs/dbraw/zinc/12/79/67/291127967.db2.gz ZKUNMIDYQFLTTI-UHFFFAOYSA-N 2 1 299.459 2.365 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000336224198 213051714 /nfs/dbraw/zinc/05/17/14/213051714.db2.gz KHLVZAFMAXBEJZ-AAEUAGOBSA-N 2 1 258.369 2.122 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000414346481 236340339 /nfs/dbraw/zinc/34/03/39/236340339.db2.gz MEIPZDYBSKKOGR-KBMXLJTQSA-N 2 1 291.414 2.477 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000414346481 236340342 /nfs/dbraw/zinc/34/03/42/236340342.db2.gz MEIPZDYBSKKOGR-KBMXLJTQSA-N 2 1 291.414 2.477 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC(C(F)F)CC1 ZINC000570694739 299273031 /nfs/dbraw/zinc/27/30/31/299273031.db2.gz NEPQZOFHWARFFS-UHFFFAOYSA-N 2 1 257.328 2.330 20 0 CEADMP CCc1nc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000166453347 540388633 /nfs/dbraw/zinc/38/86/33/540388633.db2.gz RVXOOKBBOHONIV-GXTWGEPZSA-N 2 1 279.453 2.464 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)CC(C)C ZINC000577766258 366395631 /nfs/dbraw/zinc/39/56/31/366395631.db2.gz XXTICPQCSDQWCE-KRWDZBQOSA-N 2 1 278.440 2.457 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)CC(C)C ZINC000577766258 366395642 /nfs/dbraw/zinc/39/56/42/366395642.db2.gz XXTICPQCSDQWCE-KRWDZBQOSA-N 2 1 278.440 2.457 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1)CC(C)C ZINC000577766258 366395648 /nfs/dbraw/zinc/39/56/48/366395648.db2.gz XXTICPQCSDQWCE-KRWDZBQOSA-N 2 1 278.440 2.457 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1)CC(C)C ZINC000577766258 366395652 /nfs/dbraw/zinc/39/56/52/366395652.db2.gz XXTICPQCSDQWCE-KRWDZBQOSA-N 2 1 278.440 2.457 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)cc1 ZINC000294832541 199203520 /nfs/dbraw/zinc/20/35/20/199203520.db2.gz LQWGJIFBVCNGEA-HZUKXOBISA-N 2 1 271.364 2.355 20 0 CEADMP CCn1nccc1CC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000338565395 366415327 /nfs/dbraw/zinc/41/53/27/366415327.db2.gz AHHYTSNHQMVPFB-GDBMZVCRSA-N 2 1 278.444 2.108 20 0 CEADMP CCn1nccc1CC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000338565395 366415330 /nfs/dbraw/zinc/41/53/30/366415330.db2.gz AHHYTSNHQMVPFB-GDBMZVCRSA-N 2 1 278.444 2.108 20 0 CEADMP CCn1nccc1CC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000338565395 366415333 /nfs/dbraw/zinc/41/53/33/366415333.db2.gz AHHYTSNHQMVPFB-GDBMZVCRSA-N 2 1 278.444 2.108 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)C(=O)OC)C[C@H]1C ZINC000338544631 366404482 /nfs/dbraw/zinc/40/44/82/366404482.db2.gz CSXHITMBYARFPE-ZIAGYGMSSA-N 2 1 284.444 2.380 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(C)(C)C(=O)OC)C[C@H]1C ZINC000338544631 366404489 /nfs/dbraw/zinc/40/44/89/366404489.db2.gz CSXHITMBYARFPE-ZIAGYGMSSA-N 2 1 284.444 2.380 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(C)(C)C(=O)OC)C[C@H]1C ZINC000338544631 366404491 /nfs/dbraw/zinc/40/44/91/366404491.db2.gz CSXHITMBYARFPE-ZIAGYGMSSA-N 2 1 284.444 2.380 20 0 CEADMP Cc1cnc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)o1 ZINC000136095315 366493232 /nfs/dbraw/zinc/49/32/32/366493232.db2.gz DNCVJRPNTFQXEA-DGCLKSJQSA-N 2 1 260.341 2.263 20 0 CEADMP Cc1cnc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)o1 ZINC000136095315 366493236 /nfs/dbraw/zinc/49/32/36/366493236.db2.gz DNCVJRPNTFQXEA-DGCLKSJQSA-N 2 1 260.341 2.263 20 0 CEADMP C[C@@H](C[N@H+](C)CCCc1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC000578450496 366495919 /nfs/dbraw/zinc/49/59/19/366495919.db2.gz CFLUDMLHXGJEIS-ZDUSSCGKSA-N 2 1 295.427 2.262 20 0 CEADMP C[C@@H](C[N@@H+](C)CCCc1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC000578450496 366495923 /nfs/dbraw/zinc/49/59/23/366495923.db2.gz CFLUDMLHXGJEIS-ZDUSSCGKSA-N 2 1 295.427 2.262 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccncc1F ZINC000340240720 299289835 /nfs/dbraw/zinc/28/98/35/299289835.db2.gz WWQKKGQALMHLHQ-KBPBESRZSA-N 2 1 295.402 2.108 20 0 CEADMP CC[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000311179954 540455256 /nfs/dbraw/zinc/45/52/56/540455256.db2.gz YBCTWYSYHPFACE-RRFJBIMHSA-N 2 1 256.434 2.198 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671744894 540497868 /nfs/dbraw/zinc/49/78/68/540497868.db2.gz AWSNLLMXNXZPSV-SNVBAGLBSA-N 2 1 286.335 2.389 20 0 CEADMP c1nc(-c2ccccn2)sc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856376 540509958 /nfs/dbraw/zinc/50/99/58/540509958.db2.gz FGXOWVJCNIANGH-GFCCVEGCSA-N 2 1 288.420 2.437 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000336224199 213051766 /nfs/dbraw/zinc/05/17/66/213051766.db2.gz KHLVZAFMAXBEJZ-DGCLKSJQSA-N 2 1 258.369 2.122 20 0 CEADMP CC[NH+](CC)[C@@H](CNC(=O)Cn1cc[nH+]c1C)CC(C)C ZINC000296934062 200039276 /nfs/dbraw/zinc/03/92/76/200039276.db2.gz ADUSEVFHDXYIET-OAHLLOKOSA-N 2 1 294.443 2.064 20 0 CEADMP CCCN(CC[NH+](CC)CC)Cc1c[nH+]c(C)n1C ZINC000667991621 540548591 /nfs/dbraw/zinc/54/85/91/540548591.db2.gz VOILXEWVUFXIJN-UHFFFAOYSA-N 2 1 266.433 2.282 20 0 CEADMP C[C@H]1CSCC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000668057890 540561294 /nfs/dbraw/zinc/56/12/94/540561294.db2.gz AEIMJXKBMLCTPZ-LLVKDONJSA-N 2 1 251.399 2.014 20 0 CEADMP C[C@@H](CCCc1cccnc1)[NH2+]C1CC[NH+](C)CC1 ZINC000453076388 283465665 /nfs/dbraw/zinc/46/56/65/283465665.db2.gz HQYJDAKBGXIEJT-AWEZNQCLSA-N 2 1 261.413 2.477 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000297617820 200242896 /nfs/dbraw/zinc/24/28/96/200242896.db2.gz LEKFHBXDWXLCJM-HNNXBMFYSA-N 2 1 293.798 2.329 20 0 CEADMP CCS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000579110972 366595160 /nfs/dbraw/zinc/59/51/60/366595160.db2.gz NUYQVNFLFCZNIV-NWANDNLSSA-N 2 1 286.485 2.095 20 0 CEADMP CCS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000579110972 366595163 /nfs/dbraw/zinc/59/51/63/366595163.db2.gz NUYQVNFLFCZNIV-NWANDNLSSA-N 2 1 286.485 2.095 20 0 CEADMP COC1(CC[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)CCC1 ZINC000339009720 366611542 /nfs/dbraw/zinc/61/15/42/366611542.db2.gz GXYIOQFWWIEWFS-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(CC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CCC1 ZINC000339009720 366611546 /nfs/dbraw/zinc/61/15/46/366611546.db2.gz GXYIOQFWWIEWFS-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(CC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CCC1 ZINC000339009720 366611550 /nfs/dbraw/zinc/61/15/50/366611550.db2.gz GXYIOQFWWIEWFS-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(CC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000339009720 366611554 /nfs/dbraw/zinc/61/15/54/366611554.db2.gz GXYIOQFWWIEWFS-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(CC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000339009720 366611558 /nfs/dbraw/zinc/61/15/58/366611558.db2.gz GXYIOQFWWIEWFS-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000579229378 366613238 /nfs/dbraw/zinc/61/32/38/366613238.db2.gz VFWKJOVTCXGVDD-MPGHIAIKSA-N 2 1 288.435 2.391 20 0 CEADMP COC1(CC[N@@H+](C)CCC[NH+]2CCCC2)CCC1 ZINC000339156088 366680363 /nfs/dbraw/zinc/68/03/63/366680363.db2.gz URRZWKQQGQNFAI-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP CCn1cc(C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cn1 ZINC000571411252 299308995 /nfs/dbraw/zinc/30/89/95/299308995.db2.gz WKTHMRPZTYRYKM-UHFFFAOYSA-N 2 1 284.407 2.181 20 0 CEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@@H]3CCCOC3)C2)c1 ZINC000674301111 540741827 /nfs/dbraw/zinc/74/18/27/540741827.db2.gz NESXUUWVYIOHNR-LSDHHAIUSA-N 2 1 275.396 2.303 20 0 CEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@@H]3CCCOC3)C2)c1 ZINC000674301111 540741832 /nfs/dbraw/zinc/74/18/32/540741832.db2.gz NESXUUWVYIOHNR-LSDHHAIUSA-N 2 1 275.396 2.303 20 0 CEADMP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1n[nH]c2ccccc21 ZINC000674711070 540770462 /nfs/dbraw/zinc/77/04/62/540770462.db2.gz NRWXHNTWMAKWQY-CYBMUJFWSA-N 2 1 290.411 2.009 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342088515 216214164 /nfs/dbraw/zinc/21/41/64/216214164.db2.gz RAWMCNONRWGMLX-NUEKZKHPSA-N 2 1 273.424 2.312 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCN2Cc3ccccc3C2)CC[N@H+]1C ZINC000675780608 540873255 /nfs/dbraw/zinc/87/32/55/540873255.db2.gz RSVFQQRQIIIUAG-PBHICJAKSA-N 2 1 273.424 2.075 20 0 CEADMP COc1cccc(C[N@H+](C)CCCn2cc[nH+]c2C)n1 ZINC000179501271 189198216 /nfs/dbraw/zinc/19/82/16/189198216.db2.gz HNLIUTPIDNKASX-UHFFFAOYSA-N 2 1 274.368 2.117 20 0 CEADMP COc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)n1 ZINC000179501271 189198217 /nfs/dbraw/zinc/19/82/17/189198217.db2.gz HNLIUTPIDNKASX-UHFFFAOYSA-N 2 1 274.368 2.117 20 0 CEADMP CCOC(=O)C[C@](C)([NH2+]CCCc1c[nH+]cn1C)C(C)C ZINC000571653534 299321609 /nfs/dbraw/zinc/32/16/09/299321609.db2.gz ULKNRPPZSHXSCE-INIZCTEOSA-N 2 1 295.427 2.310 20 0 CEADMP COCC[NH2+]C1CC[NH+](Cc2ccc(C)s2)CC1 ZINC000579718681 366691511 /nfs/dbraw/zinc/69/15/11/366691511.db2.gz LFIVFASPZIQEGI-UHFFFAOYSA-N 2 1 268.426 2.257 20 0 CEADMP CC1CC[NH+](CCCNc2nc(N(C)C)cc[nH+]2)CC1 ZINC000301709752 201153059 /nfs/dbraw/zinc/15/30/59/201153059.db2.gz XEQOUCHPIRTLCP-UHFFFAOYSA-N 2 1 277.416 2.077 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc2c(c1)OCCCO2 ZINC000019959030 361570868 /nfs/dbraw/zinc/57/08/68/361570868.db2.gz FIKAXRXCFGZYKP-CYBMUJFWSA-N 2 1 278.396 2.450 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000020047994 361575932 /nfs/dbraw/zinc/57/59/32/361575932.db2.gz RLSFIZFGANGTAS-AWEZNQCLSA-N 2 1 289.423 2.140 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000020047994 361575934 /nfs/dbraw/zinc/57/59/34/361575934.db2.gz RLSFIZFGANGTAS-AWEZNQCLSA-N 2 1 289.423 2.140 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)cn1 ZINC000031995025 361724277 /nfs/dbraw/zinc/72/42/77/361724277.db2.gz COHJDAPUMMKLSO-QGZVFWFLSA-N 2 1 282.391 2.058 20 0 CEADMP COc1c(C)cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC000084197021 363801530 /nfs/dbraw/zinc/80/15/30/363801530.db2.gz CNOMEQJEHXSJRZ-QGZVFWFLSA-N 2 1 274.408 2.497 20 0 CEADMP C[C@H](CCCCO)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000679331867 541257439 /nfs/dbraw/zinc/25/74/39/541257439.db2.gz CHNHODGSKAMQGD-RBSFLKMASA-N 2 1 256.434 2.390 20 0 CEADMP C[C@H](CCCCO)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000679331867 541257441 /nfs/dbraw/zinc/25/74/41/541257441.db2.gz CHNHODGSKAMQGD-RBSFLKMASA-N 2 1 256.434 2.390 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](OC(F)F)C1 ZINC000679678382 541308037 /nfs/dbraw/zinc/30/80/37/541308037.db2.gz AKWSXHCAHNYOTR-NWDGAFQWSA-N 2 1 262.344 2.174 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](OC(F)F)C1 ZINC000679678382 541308039 /nfs/dbraw/zinc/30/80/39/541308039.db2.gz AKWSXHCAHNYOTR-NWDGAFQWSA-N 2 1 262.344 2.174 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679678382 541308041 /nfs/dbraw/zinc/30/80/41/541308041.db2.gz AKWSXHCAHNYOTR-NWDGAFQWSA-N 2 1 262.344 2.174 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679678382 541308042 /nfs/dbraw/zinc/30/80/42/541308042.db2.gz AKWSXHCAHNYOTR-NWDGAFQWSA-N 2 1 262.344 2.174 20 0 CEADMP CCc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000088760219 363922057 /nfs/dbraw/zinc/92/20/57/363922057.db2.gz KQRPTAUNOXVTBW-CYBMUJFWSA-N 2 1 262.401 2.490 20 0 CEADMP CCc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000088760219 363922058 /nfs/dbraw/zinc/92/20/58/363922058.db2.gz KQRPTAUNOXVTBW-CYBMUJFWSA-N 2 1 262.401 2.490 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000090811124 364064899 /nfs/dbraw/zinc/06/48/99/364064899.db2.gz JLRGRCRMESQVGT-APIJFGDWSA-N 2 1 270.461 2.348 20 0 CEADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc2c(n1)CCC2 ZINC000334646541 364128729 /nfs/dbraw/zinc/12/87/29/364128729.db2.gz YDOBISGQYFJEBQ-SUMWQHHRSA-N 2 1 273.424 2.342 20 0 CEADMP C[NH2+]CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000237293148 370707321 /nfs/dbraw/zinc/70/73/21/370707321.db2.gz SNHRNWODHKXGPQ-ZDUSSCGKSA-N 2 1 275.396 2.076 20 0 CEADMP CCOc1ccc(OCC[N@@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000093873825 364237214 /nfs/dbraw/zinc/23/72/14/364237214.db2.gz PCKXEPNDCKJXAS-UHFFFAOYSA-N 2 1 280.412 2.381 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638815534 370770935 /nfs/dbraw/zinc/77/09/35/370770935.db2.gz IXSDJHFUXALNAU-KGLIPLIRSA-N 2 1 292.427 2.127 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000094341658 364269393 /nfs/dbraw/zinc/26/93/93/364269393.db2.gz TZEXWRJGETZXRF-RISCZKNCSA-N 2 1 295.814 2.338 20 0 CEADMP C1CC1[NH+]1CCC([N@@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000334880705 364282801 /nfs/dbraw/zinc/28/28/01/364282801.db2.gz DNYCAHGVBUVPOJ-MRXNPFEDSA-N 2 1 264.413 2.116 20 0 CEADMP C1CC1[NH+]1CCC([N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000334880705 364282807 /nfs/dbraw/zinc/28/28/07/364282807.db2.gz DNYCAHGVBUVPOJ-MRXNPFEDSA-N 2 1 264.413 2.116 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000335035233 364383329 /nfs/dbraw/zinc/38/33/29/364383329.db2.gz SGSUYRLCHACDGS-CVEARBPZSA-N 2 1 260.381 2.466 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000335052502 364405436 /nfs/dbraw/zinc/40/54/36/364405436.db2.gz LQYCUCWRUZPYEV-BBRMVZONSA-N 2 1 273.424 2.475 20 0 CEADMP C[NH+](C)C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000340288972 366837389 /nfs/dbraw/zinc/83/73/89/366837389.db2.gz OEVZBZYFCNRPAF-GOSISDBHSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2ccccc2)CCCC1 ZINC000581998154 366846853 /nfs/dbraw/zinc/84/68/53/366846853.db2.gz XRFZFSSAHKJZLE-UHFFFAOYSA-N 2 1 289.423 2.479 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CCC(F)(F)F)CC2 ZINC000335107862 364487132 /nfs/dbraw/zinc/48/71/32/364487132.db2.gz MNIAKYKSGCROFL-UHFFFAOYSA-N 2 1 250.308 2.499 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CCC(F)(F)F)CC2 ZINC000335107862 364487137 /nfs/dbraw/zinc/48/71/37/364487137.db2.gz MNIAKYKSGCROFL-UHFFFAOYSA-N 2 1 250.308 2.499 20 0 CEADMP Cc1ccncc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335634426 212348468 /nfs/dbraw/zinc/34/84/68/212348468.db2.gz OGRCSDRCVIDLIU-GJZGRUSLSA-N 2 1 259.397 2.212 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC000112918444 364856373 /nfs/dbraw/zinc/85/63/73/364856373.db2.gz XKEVZIYZCDYRJN-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP CCCC[NH+](C)CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000112918444 364856377 /nfs/dbraw/zinc/85/63/77/364856377.db2.gz XKEVZIYZCDYRJN-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP CCCC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000112918444 364856386 /nfs/dbraw/zinc/85/63/86/364856386.db2.gz XKEVZIYZCDYRJN-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)[C@@H](C)C1 ZINC000342815427 216554693 /nfs/dbraw/zinc/55/46/93/216554693.db2.gz ZUDHBHWOQJNMBX-BBRMVZONSA-N 2 1 286.423 2.425 20 0 CEADMP Cc1ncsc1C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000113641809 364907872 /nfs/dbraw/zinc/90/78/72/364907872.db2.gz MKYCNNNYXMKWIC-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP C[N@H+]1CC[C@@H]2CCN(Cc3ccc(-c4cc[nH]n4)o3)[C@H]2C1 ZINC000335731053 364898665 /nfs/dbraw/zinc/89/86/65/364898665.db2.gz XBCNTJDRJBFVRM-DOMZBBRYSA-N 2 1 286.379 2.196 20 0 CEADMP CN1CC[C@@H]2CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)[C@H]2C1 ZINC000335731053 364898673 /nfs/dbraw/zinc/89/86/73/364898673.db2.gz XBCNTJDRJBFVRM-DOMZBBRYSA-N 2 1 286.379 2.196 20 0 CEADMP CN1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)[C@H]2C1 ZINC000335731053 364898678 /nfs/dbraw/zinc/89/86/78/364898678.db2.gz XBCNTJDRJBFVRM-DOMZBBRYSA-N 2 1 286.379 2.196 20 0 CEADMP C[N@H+](CCCCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480655 364947219 /nfs/dbraw/zinc/94/72/19/364947219.db2.gz OAXRNMZXKPEWCL-UHFFFAOYSA-N 2 1 276.424 2.355 20 0 CEADMP C[N@@H+](CCCCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480655 364947227 /nfs/dbraw/zinc/94/72/27/364947227.db2.gz OAXRNMZXKPEWCL-UHFFFAOYSA-N 2 1 276.424 2.355 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnc3n2CCCC3)[C@@H]2CCC[C@@H]21 ZINC000572186136 299351673 /nfs/dbraw/zinc/35/16/73/299351673.db2.gz OSNXQBINTSPFOC-JYJNAYRXSA-N 2 1 288.439 2.182 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000572181384 299351102 /nfs/dbraw/zinc/35/11/02/299351102.db2.gz AUGXMDWYYRHOCM-CAOSSQGBSA-N 2 1 266.429 2.002 20 0 CEADMP CCc1cc(NC[C@]2([NH+](C)C)CCSC2)nc(C)[nH+]1 ZINC000272910636 541426514 /nfs/dbraw/zinc/42/65/14/541426514.db2.gz RGTDLZRPAJHHSC-CQSZACIVSA-N 2 1 280.441 2.197 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000335804675 365006804 /nfs/dbraw/zinc/00/68/04/365006804.db2.gz JJSUOYLVQWGBRN-UHFFFAOYSA-N 2 1 261.344 2.491 20 0 CEADMP COCC[N@@H+](C)CCCNc1cc(C)nc(C2CC2)n1 ZINC000116260006 365046280 /nfs/dbraw/zinc/04/62/80/365046280.db2.gz GTILLQIPIDWULU-UHFFFAOYSA-N 2 1 278.400 2.043 20 0 CEADMP COC(=O)c1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000118843066 365185205 /nfs/dbraw/zinc/18/52/05/365185205.db2.gz NWWJBXOHFZGUAU-HNNXBMFYSA-N 2 1 290.407 2.247 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000118843066 365185208 /nfs/dbraw/zinc/18/52/08/365185208.db2.gz NWWJBXOHFZGUAU-HNNXBMFYSA-N 2 1 290.407 2.247 20 0 CEADMP COC(=O)c1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000118843066 365185212 /nfs/dbraw/zinc/18/52/12/365185212.db2.gz NWWJBXOHFZGUAU-HNNXBMFYSA-N 2 1 290.407 2.247 20 0 CEADMP COC(=O)c1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000118843066 365185217 /nfs/dbraw/zinc/18/52/17/365185217.db2.gz NWWJBXOHFZGUAU-HNNXBMFYSA-N 2 1 290.407 2.247 20 0 CEADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000335959743 365220108 /nfs/dbraw/zinc/22/01/08/365220108.db2.gz YBCROSVWBRXBER-PBHICJAKSA-N 2 1 279.472 2.323 20 0 CEADMP Cc1c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000572286924 299356232 /nfs/dbraw/zinc/35/62/32/299356232.db2.gz MDBBEKCRHHENHD-MRXNPFEDSA-N 2 1 289.379 2.479 20 0 CEADMP Cc1c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000572286924 299356234 /nfs/dbraw/zinc/35/62/34/299356234.db2.gz MDBBEKCRHHENHD-MRXNPFEDSA-N 2 1 289.379 2.479 20 0 CEADMP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCOCC[NH3+])C1 ZINC000357094538 370805240 /nfs/dbraw/zinc/80/52/40/370805240.db2.gz YRIDUCFDRCUTFC-CABCVRRESA-N 2 1 262.397 2.148 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000119616078 365300394 /nfs/dbraw/zinc/30/03/94/365300394.db2.gz PTQOFYKKXKYDRZ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000119616078 365300398 /nfs/dbraw/zinc/30/03/98/365300398.db2.gz PTQOFYKKXKYDRZ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000119616078 365300402 /nfs/dbraw/zinc/30/04/02/365300402.db2.gz PTQOFYKKXKYDRZ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2(OC)CCC2)[C@H](C)C1 ZINC000340440748 366887031 /nfs/dbraw/zinc/88/70/31/366887031.db2.gz JTAGLYHRZRWWGM-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120490260 365432405 /nfs/dbraw/zinc/43/24/05/365432405.db2.gz KNFXVGIUYOBVAM-ZOWXZIJZSA-N 2 1 278.444 2.040 20 0 CEADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000120490260 365432407 /nfs/dbraw/zinc/43/24/07/365432407.db2.gz KNFXVGIUYOBVAM-ZOWXZIJZSA-N 2 1 278.444 2.040 20 0 CEADMP CC(C)CC[C@@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000159348302 366904490 /nfs/dbraw/zinc/90/44/90/366904490.db2.gz RJBFJXZHENTSPG-RRFJBIMHSA-N 2 1 256.434 2.246 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000340517935 366917690 /nfs/dbraw/zinc/91/76/90/366917690.db2.gz IESDOARSPFNNMU-FPCVCCKLSA-N 2 1 278.440 2.266 20 0 CEADMP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000340524535 366920475 /nfs/dbraw/zinc/92/04/75/366920475.db2.gz JJXYLQBUVQXOBB-HOTGVXAUSA-N 2 1 293.459 2.014 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3Cc4ccccc4C3)C2)C1 ZINC000582523374 366921206 /nfs/dbraw/zinc/92/12/06/366921206.db2.gz LBGXORQPVRECNY-GOSISDBHSA-N 2 1 270.420 2.429 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CC3Cc4ccccc4C3)C2)C1 ZINC000582523374 366921209 /nfs/dbraw/zinc/92/12/09/366921209.db2.gz LBGXORQPVRECNY-GOSISDBHSA-N 2 1 270.420 2.429 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3Cc4ccccc4C3)C2)C1 ZINC000582523374 366921215 /nfs/dbraw/zinc/92/12/15/366921215.db2.gz LBGXORQPVRECNY-GOSISDBHSA-N 2 1 270.420 2.429 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CCC1 ZINC000572374255 299362052 /nfs/dbraw/zinc/36/20/52/299362052.db2.gz VTIBAQNCIRATFO-UHFFFAOYSA-N 2 1 262.382 2.109 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000680989894 541484542 /nfs/dbraw/zinc/48/45/42/541484542.db2.gz GVJMUINHNUTXJW-DJIMGWMZSA-N 2 1 276.424 2.225 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000680993995 541485564 /nfs/dbraw/zinc/48/55/64/541485564.db2.gz ROMSLVLYVKZOHI-YOEHRIQHSA-N 2 1 287.407 2.336 20 0 CEADMP C[NH2+][C@H]1CCC[N@H+](C[C@H](C)CC2CCOCC2)C1 ZINC000340671375 366978539 /nfs/dbraw/zinc/97/85/39/366978539.db2.gz NBWMIYAVGVHAKJ-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH2+][C@H]1CCC[N@@H+](C[C@H](C)CC2CCOCC2)C1 ZINC000340671375 366978543 /nfs/dbraw/zinc/97/85/43/366978543.db2.gz NBWMIYAVGVHAKJ-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000583078121 366997612 /nfs/dbraw/zinc/99/76/12/366997612.db2.gz MNVFPWVCJWULJR-HOCLYGCPSA-N 2 1 273.424 2.260 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000583125483 367002896 /nfs/dbraw/zinc/00/28/96/367002896.db2.gz ZVONYDXYIWNRLW-KFWWJZLASA-N 2 1 282.428 2.182 20 0 CEADMP Cc1[nH+]cc(CN[C@@H](c2nnc3ccccn32)C(C)C)n1C ZINC000583946363 367120836 /nfs/dbraw/zinc/12/08/36/367120836.db2.gz YKOCHSXNJOGQRY-OAHLLOKOSA-N 2 1 298.394 2.258 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H]1c1ccccc1 ZINC000583945637 367121055 /nfs/dbraw/zinc/12/10/55/367121055.db2.gz BLJUVNLAVNXGKZ-HZPDHXFCSA-N 2 1 262.397 2.135 20 0 CEADMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1O ZINC000161970925 367126917 /nfs/dbraw/zinc/12/69/17/367126917.db2.gz UBIDIDYCPAYBNL-AWEZNQCLSA-N 2 1 278.396 2.174 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1O ZINC000161970925 367126924 /nfs/dbraw/zinc/12/69/24/367126924.db2.gz UBIDIDYCPAYBNL-AWEZNQCLSA-N 2 1 278.396 2.174 20 0 CEADMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1O ZINC000161970925 367126927 /nfs/dbraw/zinc/12/69/27/367126927.db2.gz UBIDIDYCPAYBNL-AWEZNQCLSA-N 2 1 278.396 2.174 20 0 CEADMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1O ZINC000161970925 367126932 /nfs/dbraw/zinc/12/69/32/367126932.db2.gz UBIDIDYCPAYBNL-AWEZNQCLSA-N 2 1 278.396 2.174 20 0 CEADMP C[C@H](Cc1ccsc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000162146837 367140428 /nfs/dbraw/zinc/14/04/28/367140428.db2.gz QJUCZMDQNXVKGZ-OAHLLOKOSA-N 2 1 295.496 2.248 20 0 CEADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245680491 370857199 /nfs/dbraw/zinc/85/71/99/370857199.db2.gz PBWKOSMYASNGLL-QLFBSQMISA-N 2 1 292.427 2.071 20 0 CEADMP Cc1nc(C[C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)no1 ZINC000245691020 370859021 /nfs/dbraw/zinc/85/90/21/370859021.db2.gz VXRNOHUMFLKTDJ-LSDHHAIUSA-N 2 1 292.427 2.117 20 0 CEADMP Cc1nc(C[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)no1 ZINC000245691020 370859024 /nfs/dbraw/zinc/85/90/24/370859024.db2.gz VXRNOHUMFLKTDJ-LSDHHAIUSA-N 2 1 292.427 2.117 20 0 CEADMP Cc1nc(C[C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)no1 ZINC000245691020 370859030 /nfs/dbraw/zinc/85/90/30/370859030.db2.gz VXRNOHUMFLKTDJ-LSDHHAIUSA-N 2 1 292.427 2.117 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCNc1ccccn1 ZINC000163819524 367266168 /nfs/dbraw/zinc/26/61/68/367266168.db2.gz TWNOVOXBWDQYLD-QLFBSQMISA-N 2 1 276.428 2.202 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000163308408 367230393 /nfs/dbraw/zinc/23/03/93/367230393.db2.gz YYVIXEJUBFYQAK-GJZGRUSLSA-N 2 1 299.422 2.260 20 0 CEADMP Cc1cc(NCC[N@@H+]2CCC[C@H](C)C2)nc(C2CC2)n1 ZINC000341485430 367352129 /nfs/dbraw/zinc/35/21/29/367352129.db2.gz PERNUCSPKKVURB-LBPRGKRZSA-N 2 1 274.412 2.228 20 0 CEADMP C[C@@H]([NH2+]CC1(CO)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681390935 541545118 /nfs/dbraw/zinc/54/51/18/541545118.db2.gz RGRVQGYYUAPKDK-NVXWUHKLSA-N 2 1 288.435 2.259 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CCCC[C@]2(C(=O)OC)C1 ZINC000342135983 367385554 /nfs/dbraw/zinc/38/55/54/367385554.db2.gz UWNJEERQWFQDGP-RDJZCZTQSA-N 2 1 296.455 2.384 20 0 CEADMP CC[NH+](CC)Cc1cccc(NC(=O)C[NH+](C)C)c1 ZINC000170754325 367406734 /nfs/dbraw/zinc/40/67/34/367406734.db2.gz DHYMQCBFFJEUAF-UHFFFAOYSA-N 2 1 263.385 2.029 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000357987989 370861704 /nfs/dbraw/zinc/86/17/04/370861704.db2.gz FAQWINIZWQFIQP-SWLSCSKDSA-N 2 1 266.360 2.134 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342809411 367550138 /nfs/dbraw/zinc/55/01/38/367550138.db2.gz JQOVNGGNQJTTGX-DVOMOZLQSA-N 2 1 286.423 2.424 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCc2cccc3c2OC(F)(F)O3)C1 ZINC000631823291 367561237 /nfs/dbraw/zinc/56/12/37/367561237.db2.gz AMUWLTZBWWWTBQ-CMPLNLGQSA-N 2 1 298.333 2.220 20 0 CEADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](O)C(F)(F)F ZINC000631715261 367499290 /nfs/dbraw/zinc/49/92/90/367499290.db2.gz QFKPFRMNYSGBNK-BJDJZHNGSA-N 2 1 282.350 2.007 20 0 CEADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](O)C(F)(F)F ZINC000631715261 367499291 /nfs/dbraw/zinc/49/92/91/367499291.db2.gz QFKPFRMNYSGBNK-BJDJZHNGSA-N 2 1 282.350 2.007 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCCCC[C@@H]([NH3+])C2)c1C ZINC000631833628 367571493 /nfs/dbraw/zinc/57/14/93/367571493.db2.gz DZFWHFHLFBQXET-CQSZACIVSA-N 2 1 277.412 2.410 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@@H]1CCCCO1)CC[NH2+]CC2 ZINC000631829039 367567682 /nfs/dbraw/zinc/56/76/82/367567682.db2.gz FEVHKAQVNBIARG-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@@H](NCC[NH+](C(C)C)C(C)C)C1 ZINC000342865335 367577963 /nfs/dbraw/zinc/57/79/63/367577963.db2.gz FJCHFTMRGWHVQP-CABCVRRESA-N 2 1 255.450 2.035 20 0 CEADMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCCn1cc[nH+]c1C ZINC000342858514 367574147 /nfs/dbraw/zinc/57/41/47/367574147.db2.gz AATLVOKFSZBZIQ-GXTWGEPZSA-N 2 1 251.374 2.081 20 0 CEADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CCCn1cc[nH+]c1C ZINC000342858514 367574152 /nfs/dbraw/zinc/57/41/52/367574152.db2.gz AATLVOKFSZBZIQ-GXTWGEPZSA-N 2 1 251.374 2.081 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000631843131 367586330 /nfs/dbraw/zinc/58/63/30/367586330.db2.gz JNZPMSNPASYRFN-VXGBXAGGSA-N 2 1 268.788 2.245 20 0 CEADMP [NH3+][C@H]1CCCCC[N@H+](CCOCc2ccccc2)C1 ZINC000631835788 367575328 /nfs/dbraw/zinc/57/53/28/367575328.db2.gz XTOXRDINQNDGDF-INIZCTEOSA-N 2 1 262.397 2.407 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](CCOCc2ccccc2)C1 ZINC000631835788 367575336 /nfs/dbraw/zinc/57/53/36/367575336.db2.gz XTOXRDINQNDGDF-INIZCTEOSA-N 2 1 262.397 2.407 20 0 CEADMP Fc1ccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631888197 367611368 /nfs/dbraw/zinc/61/13/68/367611368.db2.gz XCSADCMEVHMTJC-XJKSGUPXSA-N 2 1 278.371 2.278 20 0 CEADMP C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)COC1CCCC1 ZINC000343242958 367720302 /nfs/dbraw/zinc/72/03/02/367720302.db2.gz ATTJLWZKQFZNMA-BBWFWOEESA-N 2 1 296.455 2.082 20 0 CEADMP COc1cc2c(cc1CN[C@@H]1C[N@@H+](C)C[C@@H]1C)O[C@@H](C)C2 ZINC000343265911 367732503 /nfs/dbraw/zinc/73/25/03/367732503.db2.gz PCLMDAFPOBECPD-SLEUVZQESA-N 2 1 290.407 2.058 20 0 CEADMP OCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245726985 370865532 /nfs/dbraw/zinc/86/55/32/370865532.db2.gz PQSWCFJNMZBLCB-BJWYYQGGSA-N 2 1 274.408 2.154 20 0 CEADMP CO[C@@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@H](OC)C2)C1 ZINC000172654650 367794417 /nfs/dbraw/zinc/79/44/17/367794417.db2.gz CQCSHFSULFEQRO-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CO[C@@H]1CCC[N@@H+](CCCCC[NH+]2CCC[C@H](OC)C2)C1 ZINC000172654650 367794423 /nfs/dbraw/zinc/79/44/23/367794423.db2.gz CQCSHFSULFEQRO-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CO[C@@H]1CCC[N@H+](CCCCC[NH+]2CCC[C@H](OC)C2)C1 ZINC000172654650 367794429 /nfs/dbraw/zinc/79/44/29/367794429.db2.gz CQCSHFSULFEQRO-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000245944648 370892097 /nfs/dbraw/zinc/89/20/97/370892097.db2.gz WANKXGHTGYTUDK-AEFFLSMTSA-N 2 1 287.451 2.459 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000343643599 367935240 /nfs/dbraw/zinc/93/52/40/367935240.db2.gz QSGWPRIUCLGMFL-MWDXBVQZSA-N 2 1 281.488 2.427 20 0 CEADMP CCOC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000343571264 367891297 /nfs/dbraw/zinc/89/12/97/367891297.db2.gz IORTXGPJKFSHEF-UONOGXRCSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000343571264 367891303 /nfs/dbraw/zinc/89/13/03/367891303.db2.gz IORTXGPJKFSHEF-UONOGXRCSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000343571264 367891309 /nfs/dbraw/zinc/89/13/09/367891309.db2.gz IORTXGPJKFSHEF-UONOGXRCSA-N 2 1 270.417 2.134 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000343581237 367897626 /nfs/dbraw/zinc/89/76/26/367897626.db2.gz WRCDKTGWRYBICF-KBPBESRZSA-N 2 1 283.460 2.144 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC000343764769 367994179 /nfs/dbraw/zinc/99/41/79/367994179.db2.gz WQIDJAUMTBVRPJ-HNNXBMFYSA-N 2 1 254.418 2.385 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn2ccccc2n1 ZINC000174350186 368013056 /nfs/dbraw/zinc/01/30/56/368013056.db2.gz DTTSYZYDGQAZIL-CYBMUJFWSA-N 2 1 283.379 2.265 20 0 CEADMP c1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000343255163 216705325 /nfs/dbraw/zinc/70/53/25/216705325.db2.gz WLAQGKYFHXTBGL-RCCFBDPRSA-N 2 1 288.435 2.366 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccccn2)[C@H](C)C1 ZINC000175728673 368169155 /nfs/dbraw/zinc/16/91/55/368169155.db2.gz BWKFZWGIAIRMLI-GDBMZVCRSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccccn2)[C@H](C)C1 ZINC000175728673 368169164 /nfs/dbraw/zinc/16/91/64/368169164.db2.gz BWKFZWGIAIRMLI-GDBMZVCRSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccccn2)[C@H](C)C1 ZINC000175728673 368169169 /nfs/dbraw/zinc/16/91/69/368169169.db2.gz BWKFZWGIAIRMLI-GDBMZVCRSA-N 2 1 261.413 2.286 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178970074 368318763 /nfs/dbraw/zinc/31/87/63/368318763.db2.gz VNYOTPKNEPFHQL-GDBMZVCRSA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOCC(F)(F)F)[C@H](C)C1 ZINC000177920066 368283504 /nfs/dbraw/zinc/28/35/04/368283504.db2.gz AHMQZFQQWPQSFY-VXGBXAGGSA-N 2 1 282.350 2.275 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CCSC[C@@H]1C ZINC000179249739 368328700 /nfs/dbraw/zinc/32/87/00/368328700.db2.gz OSSVPYKTGVYXMT-LBPRGKRZSA-N 2 1 253.415 2.409 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCSC[C@@H]1C ZINC000179249739 368328704 /nfs/dbraw/zinc/32/87/04/368328704.db2.gz OSSVPYKTGVYXMT-LBPRGKRZSA-N 2 1 253.415 2.409 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCSC[C@@H]1C ZINC000179249739 368328710 /nfs/dbraw/zinc/32/87/10/368328710.db2.gz OSSVPYKTGVYXMT-LBPRGKRZSA-N 2 1 253.415 2.409 20 0 CEADMP CCC[NH+](CCC)CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000345956752 368495934 /nfs/dbraw/zinc/49/59/34/368495934.db2.gz OEPJIOHQQBGLJU-IYBDPMFKSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(N)=O ZINC000183031543 368606450 /nfs/dbraw/zinc/60/64/50/368606450.db2.gz JYWPTOFVNBDHNC-KGLIPLIRSA-N 2 1 289.423 2.024 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000346259134 368610576 /nfs/dbraw/zinc/61/05/76/368610576.db2.gz IWAPAYSDLCNTOP-BHYGNILZSA-N 2 1 279.472 2.181 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000346259134 368610579 /nfs/dbraw/zinc/61/05/79/368610579.db2.gz IWAPAYSDLCNTOP-BHYGNILZSA-N 2 1 279.472 2.181 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000346259134 368610584 /nfs/dbraw/zinc/61/05/84/368610584.db2.gz IWAPAYSDLCNTOP-BHYGNILZSA-N 2 1 279.472 2.181 20 0 CEADMP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CCn1ccnc1 ZINC000184020746 368665189 /nfs/dbraw/zinc/66/51/89/368665189.db2.gz ORROOMHEAQDKEC-MRXNPFEDSA-N 2 1 284.407 2.484 20 0 CEADMP CC(C)[C@H]1CN(C(=O)CC2(C[NH3+])CCCCC2)CC[N@H+]1C ZINC000634300916 368625050 /nfs/dbraw/zinc/62/50/50/368625050.db2.gz PGSGPZAIYUQEKS-OAHLLOKOSA-N 2 1 295.471 2.084 20 0 CEADMP CCC[N@@H+](CCn1ccnc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000346313395 368631995 /nfs/dbraw/zinc/63/19/95/368631995.db2.gz PYHFHQNYNPXVLI-RBSFLKMASA-N 2 1 277.412 2.409 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C[C@@H]1C ZINC000346343900 368643690 /nfs/dbraw/zinc/64/36/90/368643690.db2.gz TWHBGTHXLXPPTG-WCVJEAGWSA-N 2 1 295.471 2.190 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)C1CCOCC1 ZINC000358087035 370898732 /nfs/dbraw/zinc/89/87/32/370898732.db2.gz XFBSCDGIZPISIL-QWHCGFSZSA-N 2 1 265.401 2.232 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CC(F)(F)F)C[C@@H]1C ZINC000346440491 368675286 /nfs/dbraw/zinc/67/52/86/368675286.db2.gz ANUWDGXOJXICFX-SDDRHHMPSA-N 2 1 282.350 2.104 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CC(F)(F)F)C[C@@H]1C ZINC000346440491 368675294 /nfs/dbraw/zinc/67/52/94/368675294.db2.gz ANUWDGXOJXICFX-SDDRHHMPSA-N 2 1 282.350 2.104 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CC(F)(F)F)C[C@@H]1C ZINC000346440491 368675300 /nfs/dbraw/zinc/67/53/00/368675300.db2.gz ANUWDGXOJXICFX-SDDRHHMPSA-N 2 1 282.350 2.104 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCO1 ZINC000346473170 368688837 /nfs/dbraw/zinc/68/88/37/368688837.db2.gz AHQQGKPKVPSROY-QKPAOTATSA-N 2 1 284.444 2.033 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000246193868 370925703 /nfs/dbraw/zinc/92/57/03/370925703.db2.gz UMJSRGRMICMLKS-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2csc3ccccc23)C1 ZINC000358161252 370930157 /nfs/dbraw/zinc/93/01/57/370930157.db2.gz FIUMYEWBALMVDI-HNNXBMFYSA-N 2 1 276.405 2.058 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2csc3ccccc23)C1 ZINC000358161252 370930163 /nfs/dbraw/zinc/93/01/63/370930163.db2.gz FIUMYEWBALMVDI-HNNXBMFYSA-N 2 1 276.405 2.058 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](O)Cc1ccccc1 ZINC000246280385 370940506 /nfs/dbraw/zinc/94/05/06/370940506.db2.gz BMSBAXUWGUOEEY-WTTBNOFXSA-N 2 1 276.424 2.051 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](O)Cc1ccccc1 ZINC000246280385 370940512 /nfs/dbraw/zinc/94/05/12/370940512.db2.gz BMSBAXUWGUOEEY-WTTBNOFXSA-N 2 1 276.424 2.051 20 0 CEADMP CC(C)c1ncc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000346680909 368766733 /nfs/dbraw/zinc/76/67/33/368766733.db2.gz NLIYLWQXBSGCFW-MNOVXSKESA-N 2 1 253.415 2.436 20 0 CEADMP CC(C)c1ncc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000346680909 368766741 /nfs/dbraw/zinc/76/67/41/368766741.db2.gz NLIYLWQXBSGCFW-MNOVXSKESA-N 2 1 253.415 2.436 20 0 CEADMP CO[C@]1(C)C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1(C)C ZINC000185208876 368766902 /nfs/dbraw/zinc/76/69/02/368766902.db2.gz HBAYKSDOVQFJKP-GDBMZVCRSA-N 2 1 277.412 2.441 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnc(N(C)C)s1 ZINC000346692697 368774847 /nfs/dbraw/zinc/77/48/47/368774847.db2.gz IJKWEMFMOBCZTQ-GFCCVEGCSA-N 2 1 270.446 2.014 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnc(N(C)C)s1 ZINC000346692697 368774848 /nfs/dbraw/zinc/77/48/48/368774848.db2.gz IJKWEMFMOBCZTQ-GFCCVEGCSA-N 2 1 270.446 2.014 20 0 CEADMP COc1cc2c(c(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)c1)O[C@H](C)C2 ZINC000346650634 368751474 /nfs/dbraw/zinc/75/14/74/368751474.db2.gz PTXIBCJHWIWPJN-UPJWGTAASA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(c(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)c1)O[C@H](C)C2 ZINC000346650634 368751481 /nfs/dbraw/zinc/75/14/81/368751481.db2.gz PTXIBCJHWIWPJN-UPJWGTAASA-N 2 1 290.407 2.188 20 0 CEADMP CC(C)c1ncc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)s1 ZINC000346657931 368755895 /nfs/dbraw/zinc/75/58/95/368755895.db2.gz HIVNMFKMQFZXTN-MNOVXSKESA-N 2 1 253.415 2.436 20 0 CEADMP CC(C)c1ncc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)s1 ZINC000346657931 368755897 /nfs/dbraw/zinc/75/58/97/368755897.db2.gz HIVNMFKMQFZXTN-MNOVXSKESA-N 2 1 253.415 2.436 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)O1 ZINC000634688603 368816902 /nfs/dbraw/zinc/81/69/02/368816902.db2.gz XLXCYGHOIQAXCP-KBMXLJTQSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347955254 368839337 /nfs/dbraw/zinc/83/93/37/368839337.db2.gz LWUUMNIFMDGRNC-SQWLQELKSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCCC12CC2 ZINC000634724042 368840515 /nfs/dbraw/zinc/84/05/15/368840515.db2.gz IQSHOMHIOBXNJP-DLBZAZTESA-N 2 1 288.435 2.402 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCCC12CC2 ZINC000634724042 368840519 /nfs/dbraw/zinc/84/05/19/368840519.db2.gz IQSHOMHIOBXNJP-DLBZAZTESA-N 2 1 288.435 2.402 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCCC12CC2 ZINC000634724045 368840825 /nfs/dbraw/zinc/84/08/25/368840825.db2.gz IQSHOMHIOBXNJP-SJORKVTESA-N 2 1 288.435 2.402 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCCC12CC2 ZINC000634724045 368840830 /nfs/dbraw/zinc/84/08/30/368840830.db2.gz IQSHOMHIOBXNJP-SJORKVTESA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC1(O)CCC1 ZINC000634724825 368840964 /nfs/dbraw/zinc/84/09/64/368840964.db2.gz YGZKCLAVTQQYGN-RDJZCZTQSA-N 2 1 288.435 2.259 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000346694515 368778010 /nfs/dbraw/zinc/77/80/10/368778010.db2.gz UQOGCYTWPOHZDO-DGCLKSJQSA-N 2 1 284.350 2.500 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCSCC)[C@H](C)C1 ZINC000185289722 368781789 /nfs/dbraw/zinc/78/17/89/368781789.db2.gz CXEGMNIJBOWQAM-HUUCEWRRSA-N 2 1 288.501 2.466 20 0 CEADMP Cc1cccc2c1[nH+]cc(C)c2N1CCC[N@@H+](CCO)CC1 ZINC000185296657 368782305 /nfs/dbraw/zinc/78/23/05/368782305.db2.gz XXFBUVJWXDIIHR-UHFFFAOYSA-N 2 1 299.418 2.356 20 0 CEADMP OCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000347000851 368794314 /nfs/dbraw/zinc/79/43/14/368794314.db2.gz ZPVSAKNTCNSVIN-QAPCUYQASA-N 2 1 288.435 2.358 20 0 CEADMP Cc1ncn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000634646849 368794408 /nfs/dbraw/zinc/79/44/08/368794408.db2.gz MJMRPOUTDVHENU-QGZVFWFLSA-N 2 1 285.391 2.137 20 0 CEADMP c1ccc(CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]2CCOC2)cc1 ZINC000346985415 368794710 /nfs/dbraw/zinc/79/47/10/368794710.db2.gz PJENURUFGAJHLK-MSOLQXFVSA-N 2 1 288.435 2.320 20 0 CEADMP O[C@]1(C[N@@H+]2CC[C@@H]2C2CC2)CC[NH+](Cc2ccccc2)C1 ZINC000634648485 368795529 /nfs/dbraw/zinc/79/55/29/368795529.db2.gz RRZGAMNQHDVUPC-QZTJIDSGSA-N 2 1 286.419 2.108 20 0 CEADMP O[C@]1(C[N@H+]2CC[C@@H]2C2CC2)CC[NH+](Cc2ccccc2)C1 ZINC000634648485 368795533 /nfs/dbraw/zinc/79/55/33/368795533.db2.gz RRZGAMNQHDVUPC-QZTJIDSGSA-N 2 1 286.419 2.108 20 0 CEADMP O[C@]1(C[NH+]2CC[C@@H]2C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634648485 368795542 /nfs/dbraw/zinc/79/55/42/368795542.db2.gz RRZGAMNQHDVUPC-QZTJIDSGSA-N 2 1 286.419 2.108 20 0 CEADMP O[C@]1(C[NH+]2CC[C@@H]2C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634648485 368795545 /nfs/dbraw/zinc/79/55/45/368795545.db2.gz RRZGAMNQHDVUPC-QZTJIDSGSA-N 2 1 286.419 2.108 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000347017387 368796788 /nfs/dbraw/zinc/79/67/88/368796788.db2.gz DMTSQZJPQSHLFH-ZIAGYGMSSA-N 2 1 262.397 2.340 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000347046655 368798404 /nfs/dbraw/zinc/79/84/04/368798404.db2.gz OWQKBMRZDIAZHW-UONOGXRCSA-N 2 1 290.407 2.407 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000347046655 368798405 /nfs/dbraw/zinc/79/84/05/368798405.db2.gz OWQKBMRZDIAZHW-UONOGXRCSA-N 2 1 290.407 2.407 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000348109556 368901744 /nfs/dbraw/zinc/90/17/44/368901744.db2.gz LXFRFQFACIPZBP-JKSUJKDBSA-N 2 1 281.488 2.428 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000348109553 368901888 /nfs/dbraw/zinc/90/18/88/368901888.db2.gz LXFRFQFACIPZBP-HZPDHXFCSA-N 2 1 281.488 2.428 20 0 CEADMP Cc1ccccc1C[N@H+]1CCCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991547 369019585 /nfs/dbraw/zinc/01/95/85/369019585.db2.gz INDOFMKMVLSIFG-UHFFFAOYSA-N 2 1 299.462 2.255 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)CC[C@@H]1[NH3+] ZINC000634990818 369019766 /nfs/dbraw/zinc/01/97/66/369019766.db2.gz DTQILPVPAVXXJG-DYVFJYSZSA-N 2 1 296.418 2.500 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)CC[C@@H]1[NH3+] ZINC000634990818 369019770 /nfs/dbraw/zinc/01/97/70/369019770.db2.gz DTQILPVPAVXXJG-DYVFJYSZSA-N 2 1 296.418 2.500 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC12CC(C1)C[NH2+]2 ZINC000634993088 369022492 /nfs/dbraw/zinc/02/24/92/369022492.db2.gz KXMKPKZMNWQBFQ-IPJUCJBFSA-N 2 1 299.462 2.335 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)C[C@H]1C[NH3+] ZINC000634998361 369029903 /nfs/dbraw/zinc/02/99/03/369029903.db2.gz DSKNEFBMTNRGQZ-DGCLKSJQSA-N 2 1 284.350 2.357 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@H](N[C@H](C)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000635010939 369048755 /nfs/dbraw/zinc/04/87/55/369048755.db2.gz BWEXRPWHCLZYEW-NXHRZFHOSA-N 2 1 287.451 2.299 20 0 CEADMP C[C@@H]1C[C@H](NCC[C@H]([NH3+])Cc2ccccc2)CC[N@H+]1C ZINC000635004666 369039893 /nfs/dbraw/zinc/03/98/93/369039893.db2.gz FWUMICKMWNQIRT-HYVNUMGLSA-N 2 1 275.440 2.019 20 0 CEADMP N[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2ccccc21 ZINC000635005861 369042957 /nfs/dbraw/zinc/04/29/57/369042957.db2.gz PSGFQLOJXPHJKR-GVAFMPQTSA-N 2 1 259.397 2.238 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000348292929 368988141 /nfs/dbraw/zinc/98/81/41/368988141.db2.gz NQKWBRWHYZKBHL-JHJVBQTASA-N 2 1 294.361 2.248 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000348292929 368988147 /nfs/dbraw/zinc/98/81/47/368988147.db2.gz NQKWBRWHYZKBHL-JHJVBQTASA-N 2 1 294.361 2.248 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000348292929 368988148 /nfs/dbraw/zinc/98/81/48/368988148.db2.gz NQKWBRWHYZKBHL-JHJVBQTASA-N 2 1 294.361 2.248 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000348292929 368988154 /nfs/dbraw/zinc/98/81/54/368988154.db2.gz NQKWBRWHYZKBHL-JHJVBQTASA-N 2 1 294.361 2.248 20 0 CEADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000635138165 369088928 /nfs/dbraw/zinc/08/89/28/369088928.db2.gz UFYWDDBUQHNZLM-UHFFFAOYSA-N 2 1 294.443 2.242 20 0 CEADMP Cc1ncccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000348796413 369161071 /nfs/dbraw/zinc/16/10/71/369161071.db2.gz LVVCFQLRSAMGHL-UHFFFAOYSA-N 2 1 259.397 2.497 20 0 CEADMP C[N@@H+](CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)CC(C)(C)C ZINC000635534207 369208267 /nfs/dbraw/zinc/20/82/67/369208267.db2.gz DPOPZUJRAAHJNF-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)[C@H](C)C1 ZINC000187868295 369241196 /nfs/dbraw/zinc/24/11/96/369241196.db2.gz JUTLWWVRMRUURY-RDBSUJKOSA-N 2 1 254.418 2.264 20 0 CEADMP CC[NH+]1CCC(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635610029 369244591 /nfs/dbraw/zinc/24/45/91/369244591.db2.gz UEMANGRKAZHFDT-UHFFFAOYSA-N 2 1 297.487 2.203 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC[C@](C)(O)c2ccccc2)CC[N@H+]1C ZINC000187892373 369245002 /nfs/dbraw/zinc/24/50/02/369245002.db2.gz WXOHQEFWKJZQLD-UAGQMJEPSA-N 2 1 276.424 2.357 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@](C)(O)c2ccccc2)CC[N@H+]1C ZINC000187892396 369245192 /nfs/dbraw/zinc/24/51/92/369245192.db2.gz WXOHQEFWKJZQLD-PVAVHDDUSA-N 2 1 276.424 2.357 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](CC[C@@H]3CCOC3)C2)CC1 ZINC000349128881 369247881 /nfs/dbraw/zinc/24/78/81/369247881.db2.gz LJFUHNQALLWVJQ-ZBFHGGJFSA-N 2 1 266.429 2.077 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CC[C@H](c3nccn3C)C2)c1C ZINC000349148190 369252925 /nfs/dbraw/zinc/25/29/25/369252925.db2.gz JHKJJQYGANIZMB-AWEZNQCLSA-N 2 1 287.411 2.243 20 0 CEADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C1CCOCC1 ZINC000187964577 369262482 /nfs/dbraw/zinc/26/24/82/369262482.db2.gz UJMBKOMBJVBVCU-WBVHZDCISA-N 2 1 298.471 2.138 20 0 CEADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCN2C2CCCC2)c2nccn21 ZINC000635995061 369449651 /nfs/dbraw/zinc/44/96/51/369449651.db2.gz LFJNMWDBHAOGCQ-BNOWGMLFSA-N 2 1 288.395 2.022 20 0 CEADMP CC[C@]1(CO)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000189245966 369483239 /nfs/dbraw/zinc/48/32/39/369483239.db2.gz OHYSTXDJMVXVTD-INIZCTEOSA-N 2 1 268.445 2.347 20 0 CEADMP CCC[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000358211337 370952439 /nfs/dbraw/zinc/95/24/39/370952439.db2.gz QNFOGKDLNRGTOM-AWEZNQCLSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000358229288 370962459 /nfs/dbraw/zinc/96/24/59/370962459.db2.gz GITGSVKOHGGICO-IRXDYDNUSA-N 2 1 292.423 2.193 20 0 CEADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000358229288 370962463 /nfs/dbraw/zinc/96/24/63/370962463.db2.gz GITGSVKOHGGICO-IRXDYDNUSA-N 2 1 292.423 2.193 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000358234501 370964183 /nfs/dbraw/zinc/96/41/83/370964183.db2.gz GFGSXWLZAGRCNE-HZPDHXFCSA-N 2 1 298.471 2.281 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000350179885 369521231 /nfs/dbraw/zinc/52/12/31/369521231.db2.gz ABACPNKDCMNBKP-KRWDZBQOSA-N 2 1 291.439 2.057 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000358264650 370981767 /nfs/dbraw/zinc/98/17/67/370981767.db2.gz YQKVASLWSDDPJH-ULQDDVLXSA-N 2 1 292.398 2.118 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000358264650 370981770 /nfs/dbraw/zinc/98/17/70/370981770.db2.gz YQKVASLWSDDPJH-ULQDDVLXSA-N 2 1 292.398 2.118 20 0 CEADMP CC[C@H](C)[C@H](C)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351494293 369636897 /nfs/dbraw/zinc/63/68/97/369636897.db2.gz YFRFGYZCKFZANW-HEHGZKQESA-N 2 1 268.445 2.341 20 0 CEADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351494293 369636900 /nfs/dbraw/zinc/63/69/00/369636900.db2.gz YFRFGYZCKFZANW-HEHGZKQESA-N 2 1 268.445 2.341 20 0 CEADMP CC[C@H](C)[C@H](C)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000351494293 369636903 /nfs/dbraw/zinc/63/69/03/369636903.db2.gz YFRFGYZCKFZANW-HEHGZKQESA-N 2 1 268.445 2.341 20 0 CEADMP CC[C@H](C)[C@H](C)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351494293 369636910 /nfs/dbraw/zinc/63/69/10/369636910.db2.gz YFRFGYZCKFZANW-HEHGZKQESA-N 2 1 268.445 2.341 20 0 CEADMP Cc1ccccc1C[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000352342879 369680872 /nfs/dbraw/zinc/68/08/72/369680872.db2.gz ZROGSYULWSJTJC-QAPCUYQASA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccccc1C[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000352342879 369680877 /nfs/dbraw/zinc/68/08/77/369680877.db2.gz ZROGSYULWSJTJC-QAPCUYQASA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccccc1C[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000352342879 369680884 /nfs/dbraw/zinc/68/08/84/369680884.db2.gz ZROGSYULWSJTJC-QAPCUYQASA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccccc1C[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352342879 369680886 /nfs/dbraw/zinc/68/08/86/369680886.db2.gz ZROGSYULWSJTJC-QAPCUYQASA-N 2 1 290.451 2.313 20 0 CEADMP [NH3+]CCC[N@@H+](CCOCC(F)F)CC1CCCC1 ZINC000352511589 369765692 /nfs/dbraw/zinc/76/56/92/369765692.db2.gz SNBRGOWWUUNYEF-UHFFFAOYSA-N 2 1 264.360 2.109 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)cn1 ZINC000192487896 369819175 /nfs/dbraw/zinc/81/91/75/369819175.db2.gz ZALFYRVZPNYIEF-IUODEOHRSA-N 2 1 286.379 2.090 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352535773 369776058 /nfs/dbraw/zinc/77/60/58/369776058.db2.gz VJMBTBTZJGEIPB-QGZVFWFLSA-N 2 1 288.391 2.049 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352535773 369776060 /nfs/dbraw/zinc/77/60/60/369776060.db2.gz VJMBTBTZJGEIPB-QGZVFWFLSA-N 2 1 288.391 2.049 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000352534471 369776237 /nfs/dbraw/zinc/77/62/37/369776237.db2.gz GVQNJGVYATVYLX-LBPRGKRZSA-N 2 1 290.333 2.149 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000352534471 369776239 /nfs/dbraw/zinc/77/62/39/369776239.db2.gz GVQNJGVYATVYLX-LBPRGKRZSA-N 2 1 290.333 2.149 20 0 CEADMP CC[NH+](CC)[C@H](C)CNCc1ncc(C[NH+](C)C)s1 ZINC000352710039 369849850 /nfs/dbraw/zinc/84/98/50/369849850.db2.gz GXOQDEPRKDIVKQ-GFCCVEGCSA-N 2 1 284.473 2.025 20 0 CEADMP COC1CC[NH+](C2(C[NH2+]CC3(C)COC3)CCCC2)CC1 ZINC000352747654 369865145 /nfs/dbraw/zinc/86/51/45/369865145.db2.gz FQEFAKZIFIICKU-UHFFFAOYSA-N 2 1 296.455 2.036 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCCS2)s1 ZINC000352748059 369866559 /nfs/dbraw/zinc/86/65/59/369866559.db2.gz GWAKNWGVUUBMSF-JTQLQIEISA-N 2 1 271.455 2.190 20 0 CEADMP CC[N@@H+]1CCC[C@H](CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352760377 369871705 /nfs/dbraw/zinc/87/17/05/369871705.db2.gz PCMJIWSOCOPQKO-CYBMUJFWSA-N 2 1 296.484 2.026 20 0 CEADMP CC[N@H+]1CCC[C@H](CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352760377 369871711 /nfs/dbraw/zinc/87/17/11/369871711.db2.gz PCMJIWSOCOPQKO-CYBMUJFWSA-N 2 1 296.484 2.026 20 0 CEADMP Cc1cnn(C)c1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000352819519 369895521 /nfs/dbraw/zinc/89/55/21/369895521.db2.gz PJUYTFHOUZWSTN-AWEZNQCLSA-N 2 1 278.444 2.330 20 0 CEADMP CSC1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000193652933 369968087 /nfs/dbraw/zinc/96/80/87/369968087.db2.gz IVLBGLHFGGSXIM-UHFFFAOYSA-N 2 1 251.399 2.133 20 0 CEADMP CN(CC1CC[NH+](C)CC1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000353071961 370007347 /nfs/dbraw/zinc/00/73/47/370007347.db2.gz BBZNXJWIGGWNHW-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000353124228 370028448 /nfs/dbraw/zinc/02/84/48/370028448.db2.gz YSAMWZDFBGCQLL-QKPAOTATSA-N 2 1 296.455 2.428 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000353124228 370028451 /nfs/dbraw/zinc/02/84/51/370028451.db2.gz YSAMWZDFBGCQLL-QKPAOTATSA-N 2 1 296.455 2.428 20 0 CEADMP COCC[NH+](CCOC)C1CC[NH+](CCC(C)C)CC1 ZINC000353028307 369989910 /nfs/dbraw/zinc/98/99/10/369989910.db2.gz ZRARDAIPXSAXQV-UHFFFAOYSA-N 2 1 286.460 2.092 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C[NH+]1CCCC1 ZINC000353439743 370113738 /nfs/dbraw/zinc/11/37/38/370113738.db2.gz INSYRPRVYDOBRO-TWMKSMIVSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C[NH+]1CCCC1 ZINC000353439743 370113741 /nfs/dbraw/zinc/11/37/41/370113741.db2.gz INSYRPRVYDOBRO-TWMKSMIVSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C[NH+]1CCCC1 ZINC000353439743 370113745 /nfs/dbraw/zinc/11/37/45/370113745.db2.gz INSYRPRVYDOBRO-TWMKSMIVSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCOC[C@H]1C ZINC000195121719 370107725 /nfs/dbraw/zinc/10/77/25/370107725.db2.gz BAFSLKNVUIUYGI-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+](CC(=O)Nc1ccc2c(c1)C[NH2+]CC2)CC(C)(C)C ZINC000637841698 370110116 /nfs/dbraw/zinc/11/01/16/370110116.db2.gz LFNLGNCGDBCBGO-UHFFFAOYSA-N 2 1 289.423 2.249 20 0 CEADMP C[C@@H](Cc1ccccc1)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194542574 370050333 /nfs/dbraw/zinc/05/03/33/370050333.db2.gz UUMVWHJIGSORPX-BHYGNILZSA-N 2 1 258.409 2.359 20 0 CEADMP C[C@@H](Cc1ccccc1)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194542574 370050337 /nfs/dbraw/zinc/05/03/37/370050337.db2.gz UUMVWHJIGSORPX-BHYGNILZSA-N 2 1 258.409 2.359 20 0 CEADMP C[C@@H](Cc1ccccc1)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194542574 370050343 /nfs/dbraw/zinc/05/03/43/370050343.db2.gz UUMVWHJIGSORPX-BHYGNILZSA-N 2 1 258.409 2.359 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC(F)F)cc3)C[C@@H]2C1 ZINC000194542362 370050840 /nfs/dbraw/zinc/05/08/40/370050840.db2.gz ACTRNXQGRJNPCL-OKILXGFUSA-N 2 1 296.361 2.324 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC(F)F)cc3)C[C@@H]2C1 ZINC000194542362 370050845 /nfs/dbraw/zinc/05/08/45/370050845.db2.gz ACTRNXQGRJNPCL-OKILXGFUSA-N 2 1 296.361 2.324 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)C[C@@H]2C1 ZINC000194542362 370050849 /nfs/dbraw/zinc/05/08/49/370050849.db2.gz ACTRNXQGRJNPCL-OKILXGFUSA-N 2 1 296.361 2.324 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCC(F)F)cc3)C[C@@H]2C1 ZINC000194542362 370050855 /nfs/dbraw/zinc/05/08/55/370050855.db2.gz ACTRNXQGRJNPCL-OKILXGFUSA-N 2 1 296.361 2.324 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCO1 ZINC000353628281 370119936 /nfs/dbraw/zinc/11/99/36/370119936.db2.gz AYWOYMTZLORPEM-QMIVOQANSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]([NH3+])c1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC000637859330 370127394 /nfs/dbraw/zinc/12/73/94/370127394.db2.gz FCECSYQFSUFHMF-CYBMUJFWSA-N 2 1 291.439 2.300 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000353926882 370140641 /nfs/dbraw/zinc/14/06/41/370140641.db2.gz HGOPSYPPRGFAOY-UONOGXRCSA-N 2 1 284.444 2.286 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000353926882 370140646 /nfs/dbraw/zinc/14/06/46/370140646.db2.gz HGOPSYPPRGFAOY-UONOGXRCSA-N 2 1 284.444 2.286 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000353986231 370164022 /nfs/dbraw/zinc/16/40/22/370164022.db2.gz HRWWMRPLKAQIFH-BZUAXINKSA-N 2 1 265.445 2.077 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353986231 370164025 /nfs/dbraw/zinc/16/40/25/370164025.db2.gz HRWWMRPLKAQIFH-BZUAXINKSA-N 2 1 265.445 2.077 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353986231 370164028 /nfs/dbraw/zinc/16/40/28/370164028.db2.gz HRWWMRPLKAQIFH-BZUAXINKSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000221858008 370245893 /nfs/dbraw/zinc/24/58/93/370245893.db2.gz UQEJMLABWKREAT-KCPJHIHWSA-N 2 1 282.815 2.446 20 0 CEADMP C[N@H+](Cc1cccn(C(F)F)c1=O)CC1CC[NH+](C)CC1 ZINC000638028674 370251954 /nfs/dbraw/zinc/25/19/54/370251954.db2.gz HELAQKOVIWQBJH-UHFFFAOYSA-N 2 1 299.365 2.017 20 0 CEADMP CC(C)COCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000217936912 370203126 /nfs/dbraw/zinc/20/31/26/370203126.db2.gz UZNQYTDJBTZHFO-SOUVJXGZSA-N 2 1 256.434 2.367 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccnc2)C[C@@H]1C ZINC000354222982 370267687 /nfs/dbraw/zinc/26/76/87/370267687.db2.gz KKTCERYDSAHYSQ-GOEBONIOSA-N 2 1 261.413 2.429 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CCOCC2)[C@H](C)C1 ZINC000638113959 370310737 /nfs/dbraw/zinc/31/07/37/370310737.db2.gz ROVRPGCJAFVQIJ-PVAVHDDUSA-N 2 1 298.471 2.090 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)C2CCOCC2)[C@H](C)C1 ZINC000638113959 370310740 /nfs/dbraw/zinc/31/07/40/370310740.db2.gz ROVRPGCJAFVQIJ-PVAVHDDUSA-N 2 1 298.471 2.090 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)C2CCOCC2)[C@H](C)C1 ZINC000638113959 370310745 /nfs/dbraw/zinc/31/07/45/370310745.db2.gz ROVRPGCJAFVQIJ-PVAVHDDUSA-N 2 1 298.471 2.090 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccn(C(F)F)c2=O)CC[N@@H+]1C ZINC000638115213 370312744 /nfs/dbraw/zinc/31/27/44/370312744.db2.gz BSVSIQKKIAYPCX-AAEUAGOBSA-N 2 1 299.365 2.158 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccn(C(F)F)c2=O)CC[N@H+]1C ZINC000638115213 370312747 /nfs/dbraw/zinc/31/27/47/370312747.db2.gz BSVSIQKKIAYPCX-AAEUAGOBSA-N 2 1 299.365 2.158 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccn(C(F)F)c2=O)CC[NH+]1C ZINC000638115213 370312751 /nfs/dbraw/zinc/31/27/51/370312751.db2.gz BSVSIQKKIAYPCX-AAEUAGOBSA-N 2 1 299.365 2.158 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccn(C(F)F)c2=O)CC[NH+]1C ZINC000638115213 370312753 /nfs/dbraw/zinc/31/27/53/370312753.db2.gz BSVSIQKKIAYPCX-AAEUAGOBSA-N 2 1 299.365 2.158 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000227189969 370363314 /nfs/dbraw/zinc/36/33/14/370363314.db2.gz YHHSZRUITHUKMJ-LSDHHAIUSA-N 2 1 262.397 2.433 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000227900341 370389427 /nfs/dbraw/zinc/38/94/27/370389427.db2.gz MSSHMEFQQGOSEH-CKUJCDMFSA-N 2 1 294.439 2.325 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000227900341 370389429 /nfs/dbraw/zinc/38/94/29/370389429.db2.gz MSSHMEFQQGOSEH-CKUJCDMFSA-N 2 1 294.439 2.325 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCC1 ZINC000354347080 370326288 /nfs/dbraw/zinc/32/62/88/370326288.db2.gz JMUNNAQSDKUVLI-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP OCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638288931 370425005 /nfs/dbraw/zinc/42/50/05/370425005.db2.gz GBELUHZYNUSRFW-WBVHZDCISA-N 2 1 274.408 2.327 20 0 CEADMP OCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638288931 370425006 /nfs/dbraw/zinc/42/50/06/370425006.db2.gz GBELUHZYNUSRFW-WBVHZDCISA-N 2 1 274.408 2.327 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000354513707 370394876 /nfs/dbraw/zinc/39/48/76/370394876.db2.gz RVPNJARYVSEONC-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCC[NH+](CC)CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000354513707 370394881 /nfs/dbraw/zinc/39/48/81/370394881.db2.gz RVPNJARYVSEONC-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCC[NH+](CC)CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000354513707 370394884 /nfs/dbraw/zinc/39/48/84/370394884.db2.gz RVPNJARYVSEONC-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP Cc1ccc2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cn2c1 ZINC000228472267 370402901 /nfs/dbraw/zinc/40/29/01/370402901.db2.gz HYSVXCMYFQASDN-NUEKZKHPSA-N 2 1 284.407 2.202 20 0 CEADMP Cc1ccc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cn2c1 ZINC000228472267 370402903 /nfs/dbraw/zinc/40/29/03/370402903.db2.gz HYSVXCMYFQASDN-NUEKZKHPSA-N 2 1 284.407 2.202 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3)C[C@H]21 ZINC000228472956 370403054 /nfs/dbraw/zinc/40/30/54/370403054.db2.gz IMUMXVNOXLDLHL-FVQBIDKESA-N 2 1 287.407 2.074 20 0 CEADMP Cc1csc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000228546727 370406942 /nfs/dbraw/zinc/40/69/42/370406942.db2.gz LHNPTQYPRKKJIE-QJPTWQEYSA-N 2 1 251.399 2.011 20 0 CEADMP Cc1csc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000228546727 370406949 /nfs/dbraw/zinc/40/69/49/370406949.db2.gz LHNPTQYPRKKJIE-QJPTWQEYSA-N 2 1 251.399 2.011 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccns1 ZINC000638335044 370453474 /nfs/dbraw/zinc/45/34/74/370453474.db2.gz IUPHKXOXSOQPPS-JTQLQIEISA-N 2 1 250.371 2.074 20 0 CEADMP CC[C@@H](C[NH2+][C@@H](C)Cc1ccnc(OC)c1)[NH+]1CCCC1 ZINC000638354841 370464240 /nfs/dbraw/zinc/46/42/40/370464240.db2.gz VTWDLRREUXLVJT-HOCLYGCPSA-N 2 1 291.439 2.485 20 0 CEADMP CO[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000638359089 370467879 /nfs/dbraw/zinc/46/78/79/370467879.db2.gz MHRVKLXXGAQSIC-CZUORRHYSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OCC)[C@@]23CCCO3)C1 ZINC000638408990 370508441 /nfs/dbraw/zinc/50/84/41/370508441.db2.gz HDLXPJLKEAITFL-QBPKDAKJSA-N 2 1 296.455 2.035 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000355202168 370547384 /nfs/dbraw/zinc/54/73/84/370547384.db2.gz BTNMBXMEKMHTNQ-HOCLYGCPSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000355202168 370547389 /nfs/dbraw/zinc/54/73/89/370547389.db2.gz BTNMBXMEKMHTNQ-HOCLYGCPSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000355202168 370547390 /nfs/dbraw/zinc/54/73/90/370547390.db2.gz BTNMBXMEKMHTNQ-HOCLYGCPSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000355202168 370547394 /nfs/dbraw/zinc/54/73/94/370547394.db2.gz BTNMBXMEKMHTNQ-HOCLYGCPSA-N 2 1 289.423 2.396 20 0 CEADMP C[N@H+](CC[NH2+]CCC[C@@H]1CCO1)C1CCCCC1 ZINC000638437534 370530529 /nfs/dbraw/zinc/53/05/29/370530529.db2.gz NECFYDCWEIYARW-OAHLLOKOSA-N 2 1 254.418 2.410 20 0 CEADMP C[N@@H+](CC[NH2+]CCC[C@@H]1CCO1)C1CCCCC1 ZINC000638437534 370530537 /nfs/dbraw/zinc/53/05/37/370530537.db2.gz NECFYDCWEIYARW-OAHLLOKOSA-N 2 1 254.418 2.410 20 0 CEADMP C[N@@H+](CCC1CC[NH2+]CC1)CC[C@@H]1CCCC[NH+]1C ZINC000234266278 370531436 /nfs/dbraw/zinc/53/14/36/370531436.db2.gz RPLXHLFDORGVKC-INIZCTEOSA-N 3 1 267.461 2.182 20 0 CEADMP C[NH+](CCC1CC[NH2+]CC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000234266278 370531440 /nfs/dbraw/zinc/53/14/40/370531440.db2.gz RPLXHLFDORGVKC-INIZCTEOSA-N 3 1 267.461 2.182 20 0 CEADMP C[NH+](CCC1CC[NH2+]CC1)CC[C@@H]1CCCC[N@H+]1C ZINC000234266278 370531446 /nfs/dbraw/zinc/53/14/46/370531446.db2.gz RPLXHLFDORGVKC-INIZCTEOSA-N 3 1 267.461 2.182 20 0 CEADMP CN1CCCC[C@H]1CC[N@H+](C)CCC1CC[NH2+]CC1 ZINC000234266278 370531451 /nfs/dbraw/zinc/53/14/51/370531451.db2.gz RPLXHLFDORGVKC-INIZCTEOSA-N 2 1 267.461 2.182 20 0 CEADMP CN1CCCC[C@H]1CC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000234266278 370531456 /nfs/dbraw/zinc/53/14/56/370531456.db2.gz RPLXHLFDORGVKC-INIZCTEOSA-N 2 1 267.461 2.182 20 0 CEADMP CCc1cnc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000234255577 370531483 /nfs/dbraw/zinc/53/14/83/370531483.db2.gz YCOZNHRBKNMURT-JQWIXIFHSA-N 2 1 253.415 2.313 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638566726 370609231 /nfs/dbraw/zinc/60/92/31/370609231.db2.gz OKYPOYIQPVVAQT-GJZGRUSLSA-N 2 1 254.418 2.266 20 0 CEADMP COc1c[nH+]ccc1N1CC[NH+](Cc2occc2C)CC1 ZINC000355658440 370610219 /nfs/dbraw/zinc/61/02/19/370610219.db2.gz XGVLPYKUAHHQRJ-UHFFFAOYSA-N 2 1 287.363 2.314 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCSCC(F)(F)F)CC[N@H+]1C ZINC000358302078 371002654 /nfs/dbraw/zinc/00/26/54/371002654.db2.gz SGBRUSZJKNXYQR-NXEZZACHSA-N 2 1 270.364 2.354 20 0 CEADMP CO[C@](C)(C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000639176003 371050700 /nfs/dbraw/zinc/05/07/00/371050700.db2.gz CCXODBNAKHYGOE-DOTOQJQBSA-N 2 1 280.456 2.465 20 0 CEADMP Cc1cnc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000246793967 371011630 /nfs/dbraw/zinc/01/16/30/371011630.db2.gz MLTFYNYDRYJSMY-ZFWWWQNUSA-N 2 1 275.396 2.432 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000358349374 371027981 /nfs/dbraw/zinc/02/79/81/371027981.db2.gz XSQZNWKUYRYGFC-RRFJBIMHSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000358349374 371027983 /nfs/dbraw/zinc/02/79/83/371027983.db2.gz XSQZNWKUYRYGFC-RRFJBIMHSA-N 2 1 254.418 2.264 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](CCC3CCOCC3)C2)CC1 ZINC000639177446 371055086 /nfs/dbraw/zinc/05/50/86/371055086.db2.gz TYTBUXUUUGWTEE-KRWDZBQOSA-N 2 1 280.456 2.467 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)OC ZINC000639178803 371056987 /nfs/dbraw/zinc/05/69/87/371056987.db2.gz OZFOMGULACINDW-XQLPTFJDSA-N 2 1 256.434 2.320 20 0 CEADMP CC[C@H](C)[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)OC ZINC000639178803 371056991 /nfs/dbraw/zinc/05/69/91/371056991.db2.gz OZFOMGULACINDW-XQLPTFJDSA-N 2 1 256.434 2.320 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C)OC ZINC000639178803 371056993 /nfs/dbraw/zinc/05/69/93/371056993.db2.gz OZFOMGULACINDW-XQLPTFJDSA-N 2 1 256.434 2.320 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)OC ZINC000639178803 371056995 /nfs/dbraw/zinc/05/69/95/371056995.db2.gz OZFOMGULACINDW-XQLPTFJDSA-N 2 1 256.434 2.320 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)OC ZINC000639178801 371057346 /nfs/dbraw/zinc/05/73/46/371057346.db2.gz OZFOMGULACINDW-AJNGGQMLSA-N 2 1 256.434 2.320 20 0 CEADMP CC[C@H](C)[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)OC ZINC000639178801 371057348 /nfs/dbraw/zinc/05/73/48/371057348.db2.gz OZFOMGULACINDW-AJNGGQMLSA-N 2 1 256.434 2.320 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C)OC ZINC000639178801 371057354 /nfs/dbraw/zinc/05/73/54/371057354.db2.gz OZFOMGULACINDW-AJNGGQMLSA-N 2 1 256.434 2.320 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C)OC ZINC000639178801 371057357 /nfs/dbraw/zinc/05/73/57/371057357.db2.gz OZFOMGULACINDW-AJNGGQMLSA-N 2 1 256.434 2.320 20 0 CEADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(C3CC3)no2)C1 ZINC000639179355 371057723 /nfs/dbraw/zinc/05/77/23/371057723.db2.gz SFTNBPZDMJVZNO-CJNGLKHVSA-N 2 1 275.396 2.468 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(C3CC3)no2)C1 ZINC000639179355 371057727 /nfs/dbraw/zinc/05/77/27/371057727.db2.gz SFTNBPZDMJVZNO-CJNGLKHVSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(C3CC3)no2)C1 ZINC000639179355 371057732 /nfs/dbraw/zinc/05/77/32/371057732.db2.gz SFTNBPZDMJVZNO-CJNGLKHVSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(C3CC3)no2)C1 ZINC000639179355 371057741 /nfs/dbraw/zinc/05/77/41/371057741.db2.gz SFTNBPZDMJVZNO-CJNGLKHVSA-N 2 1 275.396 2.468 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000639179103 371058148 /nfs/dbraw/zinc/05/81/48/371058148.db2.gz RQHAQZARWIDREE-BZUAXINKSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000639179103 371058153 /nfs/dbraw/zinc/05/81/53/371058153.db2.gz RQHAQZARWIDREE-BZUAXINKSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000639179103 371058157 /nfs/dbraw/zinc/05/81/57/371058157.db2.gz RQHAQZARWIDREE-BZUAXINKSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247124616 371068074 /nfs/dbraw/zinc/06/80/74/371068074.db2.gz RJPGLWJSENSOBK-FXUDXRNXSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247124616 371068079 /nfs/dbraw/zinc/06/80/79/371068079.db2.gz RJPGLWJSENSOBK-FXUDXRNXSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247124616 371068085 /nfs/dbraw/zinc/06/80/85/371068085.db2.gz RJPGLWJSENSOBK-FXUDXRNXSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000639197353 371080281 /nfs/dbraw/zinc/08/02/81/371080281.db2.gz ICRRASJZUUGUTD-AWEZNQCLSA-N 2 1 266.433 2.063 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000639197353 371080290 /nfs/dbraw/zinc/08/02/90/371080290.db2.gz ICRRASJZUUGUTD-AWEZNQCLSA-N 2 1 266.433 2.063 20 0 CEADMP CN(CC[C@H]1CCC[N@H+]1C)CC[C@@H]1CCCC[NH+]1C ZINC000247316851 371092666 /nfs/dbraw/zinc/09/26/66/371092666.db2.gz RXCARGBCMFZTHP-JKSUJKDBSA-N 3 1 267.461 2.277 20 0 CEADMP CN(CC[C@H]1CCC[NH+]1C)CC[C@@H]1CCCC[N@@H+]1C ZINC000247316851 371092669 /nfs/dbraw/zinc/09/26/69/371092669.db2.gz RXCARGBCMFZTHP-JKSUJKDBSA-N 2 1 267.461 2.277 20 0 CEADMP CN(CC[C@H]1CCC[NH+]1C)CC[C@@H]1CCCC[N@H+]1C ZINC000247316851 371092675 /nfs/dbraw/zinc/09/26/75/371092675.db2.gz RXCARGBCMFZTHP-JKSUJKDBSA-N 2 1 267.461 2.277 20 0 CEADMP C[N@H+]1CCC[C@H]2CN(Cc3cn4ccsc4n3)CC[C@H]21 ZINC000247965506 371150680 /nfs/dbraw/zinc/15/06/80/371150680.db2.gz GTVDOLSJWOVQQQ-GXTWGEPZSA-N 2 1 290.436 2.312 20 0 CEADMP C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCC[NH+]1C1CC1 ZINC000683695084 541845297 /nfs/dbraw/zinc/84/52/97/541845297.db2.gz ZKGLAFXOYUPEBU-OIISXLGYSA-N 2 1 277.456 2.220 20 0 CEADMP C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000683695084 541845300 /nfs/dbraw/zinc/84/53/00/541845300.db2.gz ZKGLAFXOYUPEBU-OIISXLGYSA-N 2 1 277.456 2.220 20 0 CEADMP C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000683695084 541845303 /nfs/dbraw/zinc/84/53/03/541845303.db2.gz ZKGLAFXOYUPEBU-OIISXLGYSA-N 2 1 277.456 2.220 20 0 CEADMP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCCN1C1CC1 ZINC000683695084 541845307 /nfs/dbraw/zinc/84/53/07/541845307.db2.gz ZKGLAFXOYUPEBU-OIISXLGYSA-N 2 1 277.456 2.220 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCCN1C1CC1 ZINC000683695084 541845314 /nfs/dbraw/zinc/84/53/14/541845314.db2.gz ZKGLAFXOYUPEBU-OIISXLGYSA-N 2 1 277.456 2.220 20 0 CEADMP C[C@@H]1C[C@@H](N(CC[NH3+])c2ccc3ccccc3n2)CC[N@H+]1C ZINC000639261801 371162573 /nfs/dbraw/zinc/16/25/73/371162573.db2.gz NPMKAYFHNQNGFI-ZBFHGGJFSA-N 2 1 298.434 2.483 20 0 CEADMP COCC1(C[NH2+]CCC[N@@H+](C)CC(C)C)CCC1 ZINC000639288396 371190090 /nfs/dbraw/zinc/19/00/90/371190090.db2.gz HCJSLHADDYLDNF-UHFFFAOYSA-N 2 1 256.434 2.371 20 0 CEADMP CC[C@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248428757 371192324 /nfs/dbraw/zinc/19/23/24/371192324.db2.gz AVZBIKQNTFHFHA-WMLDXEAASA-N 2 1 276.424 2.389 20 0 CEADMP Cn1cc(CCC[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000639320186 371226850 /nfs/dbraw/zinc/22/68/50/371226850.db2.gz JJQOSQYSLMRSCZ-MRXNPFEDSA-N 2 1 290.455 2.349 20 0 CEADMP Cn1cc(CCC[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000639320186 371226853 /nfs/dbraw/zinc/22/68/53/371226853.db2.gz JJQOSQYSLMRSCZ-MRXNPFEDSA-N 2 1 290.455 2.349 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)C2CCCCC2)CC[N@@H+]1C ZINC000249031435 371283924 /nfs/dbraw/zinc/28/39/24/371283924.db2.gz FGVAFCYKACXKGU-VNQPRFMTSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)C2CCCCC2)CC[N@H+]1C ZINC000249031435 371283926 /nfs/dbraw/zinc/28/39/26/371283926.db2.gz FGVAFCYKACXKGU-VNQPRFMTSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)C2CCCCC2)CC[NH+]1C ZINC000249031435 371283930 /nfs/dbraw/zinc/28/39/30/371283930.db2.gz FGVAFCYKACXKGU-VNQPRFMTSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)C2CCCCC2)CC[NH+]1C ZINC000249031435 371283933 /nfs/dbraw/zinc/28/39/33/371283933.db2.gz FGVAFCYKACXKGU-VNQPRFMTSA-N 2 1 268.445 2.342 20 0 CEADMP CCN(C)c1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cn1 ZINC000248909816 371269266 /nfs/dbraw/zinc/26/92/66/371269266.db2.gz XTLIVHATWVOBKG-INIZCTEOSA-N 2 1 290.455 2.311 20 0 CEADMP CCN(C)c1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cn1 ZINC000248909816 371269273 /nfs/dbraw/zinc/26/92/73/371269273.db2.gz XTLIVHATWVOBKG-INIZCTEOSA-N 2 1 290.455 2.311 20 0 CEADMP CCN(C)c1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000248909816 371269279 /nfs/dbraw/zinc/26/92/79/371269279.db2.gz XTLIVHATWVOBKG-INIZCTEOSA-N 2 1 290.455 2.311 20 0 CEADMP CCN(C)c1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000248909816 371269285 /nfs/dbraw/zinc/26/92/85/371269285.db2.gz XTLIVHATWVOBKG-INIZCTEOSA-N 2 1 290.455 2.311 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCO3)C1 ZINC000249373083 371317122 /nfs/dbraw/zinc/31/71/22/371317122.db2.gz FEAYZQUOHJWNJR-CHWSQXEVSA-N 2 1 276.380 2.408 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000359153831 371356326 /nfs/dbraw/zinc/35/63/26/371356326.db2.gz LZIVXKWQSYSQHS-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP C1CC2(C1)C[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CCO2 ZINC000250818401 371391800 /nfs/dbraw/zinc/39/18/00/371391800.db2.gz FSGYRDRKQQOHEF-QLFBSQMISA-N 2 1 264.413 2.305 20 0 CEADMP C1CC2(C1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CCO2 ZINC000250818401 371391804 /nfs/dbraw/zinc/39/18/04/371391804.db2.gz FSGYRDRKQQOHEF-QLFBSQMISA-N 2 1 264.413 2.305 20 0 CEADMP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000250810589 371391820 /nfs/dbraw/zinc/39/18/20/371391820.db2.gz DHKJSFHQMAHCIO-BZZMCLGOSA-N 3 1 291.483 2.371 20 0 CEADMP C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000250810589 371391825 /nfs/dbraw/zinc/39/18/25/371391825.db2.gz DHKJSFHQMAHCIO-BZZMCLGOSA-N 2 1 291.483 2.371 20 0 CEADMP C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000250810589 371391831 /nfs/dbraw/zinc/39/18/31/371391831.db2.gz DHKJSFHQMAHCIO-BZZMCLGOSA-N 2 1 291.483 2.371 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000359245688 371393319 /nfs/dbraw/zinc/39/33/19/371393319.db2.gz QOTYNHUWIAGKGS-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250947217 371394727 /nfs/dbraw/zinc/39/47/27/371394727.db2.gz CMKJFXIUUHQNIK-BPLDGKMQSA-N 2 1 263.385 2.302 20 0 CEADMP C[C@H]1C[N@@H+](CCOc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000251684725 371412174 /nfs/dbraw/zinc/41/21/74/371412174.db2.gz HZMYCFSWKQCZEM-SMDDNHRTSA-N 2 1 268.788 2.388 20 0 CEADMP CC(C)Oc1ccccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359297579 371416855 /nfs/dbraw/zinc/41/68/55/371416855.db2.gz DNFWZYYNHYEOFA-GJZGRUSLSA-N 2 1 260.381 2.125 20 0 CEADMP Cc1cnn([C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000359191937 371369192 /nfs/dbraw/zinc/36/91/92/371369192.db2.gz PBTSHHKORKYHQU-INIZCTEOSA-N 2 1 276.428 2.218 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639509183 371371737 /nfs/dbraw/zinc/37/17/37/371371737.db2.gz YSXVAUXOESVQAH-HOTGVXAUSA-N 2 1 298.471 2.234 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC(C)(C)CO2)CC[N@@H+]1C ZINC000639509894 371373165 /nfs/dbraw/zinc/37/31/65/371373165.db2.gz PJTWNENBTHJBOH-MCIONIFRSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC(C)(C)CO2)CC[N@H+]1C ZINC000639509894 371373168 /nfs/dbraw/zinc/37/31/68/371373168.db2.gz PJTWNENBTHJBOH-MCIONIFRSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC(C)(C)CO2)CC[NH+]1C ZINC000639509894 371373170 /nfs/dbraw/zinc/37/31/70/371373170.db2.gz PJTWNENBTHJBOH-MCIONIFRSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC(C)(C)CO2)CC[NH+]1C ZINC000639509894 371373171 /nfs/dbraw/zinc/37/31/71/371373171.db2.gz PJTWNENBTHJBOH-MCIONIFRSA-N 2 1 254.418 2.216 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC2CC[NH2+]CC2)C1 ZINC000359212905 371377837 /nfs/dbraw/zinc/37/78/37/371377837.db2.gz NXBRUKZXEHUYFQ-QGZVFWFLSA-N 3 1 279.472 2.040 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359212905 371377843 /nfs/dbraw/zinc/37/78/43/371377843.db2.gz NXBRUKZXEHUYFQ-QGZVFWFLSA-N 3 1 279.472 2.040 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359212905 371377850 /nfs/dbraw/zinc/37/78/50/371377850.db2.gz NXBRUKZXEHUYFQ-QGZVFWFLSA-N 3 1 279.472 2.040 20 0 CEADMP CC[C@@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639514549 371378148 /nfs/dbraw/zinc/37/81/48/371378148.db2.gz RPNCDODYUBBXKX-AEFFLSMTSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639514549 371378152 /nfs/dbraw/zinc/37/81/52/371378152.db2.gz RPNCDODYUBBXKX-AEFFLSMTSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@@H]1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639514549 371378156 /nfs/dbraw/zinc/37/81/56/371378156.db2.gz RPNCDODYUBBXKX-AEFFLSMTSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639514549 371378161 /nfs/dbraw/zinc/37/81/61/371378161.db2.gz RPNCDODYUBBXKX-AEFFLSMTSA-N 2 1 288.435 2.355 20 0 CEADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250474156 371384903 /nfs/dbraw/zinc/38/49/03/371384903.db2.gz SCMFAVILFIBSEB-ZQDZILKHSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000359897455 371492312 /nfs/dbraw/zinc/49/23/12/371492312.db2.gz KFIXHSPPDFPXTI-UHFFFAOYSA-N 3 1 277.456 2.245 20 0 CEADMP C[N@H+]1CC=C(CNC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000359897455 371492313 /nfs/dbraw/zinc/49/23/13/371492313.db2.gz KFIXHSPPDFPXTI-UHFFFAOYSA-N 2 1 277.456 2.245 20 0 CEADMP C[N@@H+]1CC=C(CNC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000359897455 371492315 /nfs/dbraw/zinc/49/23/15/371492315.db2.gz KFIXHSPPDFPXTI-UHFFFAOYSA-N 2 1 277.456 2.245 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H]2C)[C@H](C)C1 ZINC000639589296 371427508 /nfs/dbraw/zinc/42/75/08/371427508.db2.gz LMZVTGTWOOCQOX-QZWWFDLISA-N 2 1 298.471 2.138 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1F ZINC000252894954 371488945 /nfs/dbraw/zinc/48/89/45/371488945.db2.gz XKCRWQXSGAGXPX-BXUZGUMPSA-N 2 1 266.360 2.264 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1F ZINC000252894954 371488949 /nfs/dbraw/zinc/48/89/49/371488949.db2.gz XKCRWQXSGAGXPX-BXUZGUMPSA-N 2 1 266.360 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CS1 ZINC000252102883 371431648 /nfs/dbraw/zinc/43/16/48/371431648.db2.gz IOZXQVGYBJYUNH-IUKMKKQMSA-N 2 1 254.443 2.485 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CS1 ZINC000252102883 371431654 /nfs/dbraw/zinc/43/16/54/371431654.db2.gz IOZXQVGYBJYUNH-IUKMKKQMSA-N 2 1 254.443 2.485 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000252210205 371434552 /nfs/dbraw/zinc/43/45/52/371434552.db2.gz WCWZSSXIFAQAHE-PVAVHDDUSA-N 2 1 276.424 2.039 20 0 CEADMP C[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000252547268 371455524 /nfs/dbraw/zinc/45/55/24/371455524.db2.gz LHWKUKGNNURFIJ-HYVNUMGLSA-N 2 1 274.408 2.243 20 0 CEADMP C[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000252547268 371455531 /nfs/dbraw/zinc/45/55/31/371455531.db2.gz LHWKUKGNNURFIJ-HYVNUMGLSA-N 2 1 274.408 2.243 20 0 CEADMP Cc1n[nH]c(C)c1C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000359459432 371463046 /nfs/dbraw/zinc/46/30/46/371463046.db2.gz OSMZWKKGHJJLOG-UHFFFAOYSA-N 2 1 272.396 2.378 20 0 CEADMP Cc1n[nH]c(C)c1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000359459432 371463051 /nfs/dbraw/zinc/46/30/51/371463051.db2.gz OSMZWKKGHJJLOG-UHFFFAOYSA-N 2 1 272.396 2.378 20 0 CEADMP C[C@@H](c1cnccn1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682863 371491150 /nfs/dbraw/zinc/49/11/50/371491150.db2.gz BPJZUIATODKNOS-AWEZNQCLSA-N 2 1 283.379 2.145 20 0 CEADMP Cc1nnc([C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)s1 ZINC000639757102 371545965 /nfs/dbraw/zinc/54/59/65/371545965.db2.gz FLOKMDHPGOJZLD-LLVKDONJSA-N 2 1 280.441 2.325 20 0 CEADMP Cc1nnc([C@@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)s1 ZINC000639757102 371545970 /nfs/dbraw/zinc/54/59/70/371545970.db2.gz FLOKMDHPGOJZLD-LLVKDONJSA-N 2 1 280.441 2.325 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000639763376 371551302 /nfs/dbraw/zinc/55/13/02/371551302.db2.gz RGKOGQNECVDLQR-MSOLQXFVSA-N 2 1 288.435 2.453 20 0 CEADMP Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cn1 ZINC000639683893 371493480 /nfs/dbraw/zinc/49/34/80/371493480.db2.gz NNDQVXBYGVOMMJ-UHFFFAOYSA-N 2 1 282.391 2.497 20 0 CEADMP c1cc(N2CCC[N@H+](C[C@@H]3CCCOC3)CC2)cc[nH+]1 ZINC000639683338 371493826 /nfs/dbraw/zinc/49/38/26/371493826.db2.gz XLYCPKZAHTVEOU-HNNXBMFYSA-N 2 1 275.396 2.020 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000359940809 371494405 /nfs/dbraw/zinc/49/44/05/371494405.db2.gz IKLHWGJGNNVYNH-KLHDSHLOSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+](C)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000359940809 371494407 /nfs/dbraw/zinc/49/44/07/371494407.db2.gz IKLHWGJGNNVYNH-KLHDSHLOSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+](C)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000359940809 371494409 /nfs/dbraw/zinc/49/44/09/371494409.db2.gz IKLHWGJGNNVYNH-KLHDSHLOSA-N 2 1 267.461 2.037 20 0 CEADMP C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCCCO1 ZINC000257682766 371614953 /nfs/dbraw/zinc/61/49/53/371614953.db2.gz LMFAVRQADDTYCR-CABCVRRESA-N 2 1 252.402 2.021 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000261538962 371639484 /nfs/dbraw/zinc/63/94/84/371639484.db2.gz BFQBXSCFWLPEHR-MANSERQUSA-N 2 1 299.462 2.239 20 0 CEADMP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261542494 371639624 /nfs/dbraw/zinc/63/96/24/371639624.db2.gz OUGQHBJRHDXKDB-PWSUYJOCSA-N 2 1 253.415 2.271 20 0 CEADMP COc1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1OC ZINC000361107487 371652224 /nfs/dbraw/zinc/65/22/24/371652224.db2.gz PXQPTEHIRBQWOS-HUUCEWRRSA-N 2 1 290.407 2.230 20 0 CEADMP C[N@@H+](CCOc1ccc(F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261703459 371706721 /nfs/dbraw/zinc/70/67/21/371706721.db2.gz CQEJVZKRPDFZTO-OAHLLOKOSA-N 2 1 266.360 2.136 20 0 CEADMP CC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000639982007 371710914 /nfs/dbraw/zinc/71/09/14/371710914.db2.gz XXIBCQSDZWOSFD-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1C ZINC000261739178 371716351 /nfs/dbraw/zinc/71/63/51/371716351.db2.gz KICAONPQADHRKZ-OAHLLOKOSA-N 2 1 264.417 2.081 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1C ZINC000261739178 371716358 /nfs/dbraw/zinc/71/63/58/371716358.db2.gz KICAONPQADHRKZ-OAHLLOKOSA-N 2 1 264.417 2.081 20 0 CEADMP Nc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000261748600 371720262 /nfs/dbraw/zinc/72/02/62/371720262.db2.gz WBAOQZDCOKXWFV-OAHLLOKOSA-N 2 1 259.397 2.187 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000261780300 371730032 /nfs/dbraw/zinc/73/00/32/371730032.db2.gz FJPZDEUHCXMTQN-ZFWWWQNUSA-N 2 1 276.428 2.095 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261653718 371694393 /nfs/dbraw/zinc/69/43/93/371694393.db2.gz YMKWJWJEJCSELI-INIZCTEOSA-N 2 1 262.397 2.353 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cn(C)nc2C(F)F)C1 ZINC000361185315 371703483 /nfs/dbraw/zinc/70/34/83/371703483.db2.gz BAKDCJXNQWVITI-NSHDSACASA-N 2 1 286.370 2.131 20 0 CEADMP Cc1ncc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)n1-c1ccccc1 ZINC000261833485 371746459 /nfs/dbraw/zinc/74/64/59/371746459.db2.gz YZSMSBOOAOYCOZ-KRWDZBQOSA-N 2 1 284.407 2.351 20 0 CEADMP Cc1ncc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)n1-c1ccccc1 ZINC000261833485 371746465 /nfs/dbraw/zinc/74/64/65/371746465.db2.gz YZSMSBOOAOYCOZ-KRWDZBQOSA-N 2 1 284.407 2.351 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCO[C@H]3CCCCO3)CC[C@@H]21 ZINC000361265937 371750208 /nfs/dbraw/zinc/75/02/08/371750208.db2.gz LRKFNABQOPNBTG-IKGGRYGDSA-N 2 1 296.455 2.336 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCO[C@H]3CCCCO3)CC[C@@H]21 ZINC000361265937 371750214 /nfs/dbraw/zinc/75/02/14/371750214.db2.gz LRKFNABQOPNBTG-IKGGRYGDSA-N 2 1 296.455 2.336 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCO[C@H]3CCCCO3)CC[C@@H]21 ZINC000361265937 371750221 /nfs/dbraw/zinc/75/02/21/371750221.db2.gz LRKFNABQOPNBTG-IKGGRYGDSA-N 2 1 296.455 2.336 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)CCC(C)C)C1 ZINC000361297783 371766725 /nfs/dbraw/zinc/76/67/25/371766725.db2.gz AMBGHFVSVABUPL-CVEARBPZSA-N 2 1 270.461 2.447 20 0 CEADMP C[N@@H+](CCOCc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261956048 371784136 /nfs/dbraw/zinc/78/41/36/371784136.db2.gz GQXYNNYKNJPXNY-MRXNPFEDSA-N 2 1 262.397 2.135 20 0 CEADMP Fc1cc(F)cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261988655 371790642 /nfs/dbraw/zinc/79/06/42/371790642.db2.gz SLXPYQOSWQNACT-OAGGEKHMSA-N 2 1 296.361 2.212 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2c(C)cccc2C)C1 ZINC000262164982 371833332 /nfs/dbraw/zinc/83/33/32/371833332.db2.gz UBXIGCVINGYYKU-OAHLLOKOSA-N 2 1 262.397 2.224 20 0 CEADMP c1csc([C@@H]2CSCC[N@@H+]2CC2CC[NH2+]CC2)n1 ZINC000262014890 371799299 /nfs/dbraw/zinc/79/92/99/371799299.db2.gz VNOZUBZVDAQAAX-LBPRGKRZSA-N 2 1 283.466 2.233 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262025202 371802883 /nfs/dbraw/zinc/80/28/83/371802883.db2.gz NLMBMLUOWXJVGM-GOSISDBHSA-N 2 1 296.418 2.366 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262025202 371802889 /nfs/dbraw/zinc/80/28/89/371802889.db2.gz NLMBMLUOWXJVGM-GOSISDBHSA-N 2 1 296.418 2.366 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262046619 371810717 /nfs/dbraw/zinc/81/07/17/371810717.db2.gz ZBJXXDZQORCMHR-CABCVRRESA-N 2 1 284.407 2.432 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262046619 371810727 /nfs/dbraw/zinc/81/07/27/371810727.db2.gz ZBJXXDZQORCMHR-CABCVRRESA-N 2 1 284.407 2.432 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nccn3-c3ccccc3)C[C@@H]21 ZINC000262048715 371812398 /nfs/dbraw/zinc/81/23/98/371812398.db2.gz ZIOUPQVVIILREC-BHYGNILZSA-N 2 1 296.418 2.432 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nccn3-c3ccccc3)C[C@@H]21 ZINC000262048715 371812407 /nfs/dbraw/zinc/81/24/07/371812407.db2.gz ZIOUPQVVIILREC-BHYGNILZSA-N 2 1 296.418 2.432 20 0 CEADMP COc1ccc([C@@H]2CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000262075230 371819899 /nfs/dbraw/zinc/81/98/99/371819899.db2.gz SLQHHAPDYATAMV-NVXWUHKLSA-N 2 1 274.408 2.484 20 0 CEADMP C(=C\c1ccncc1)\C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000344065344 217034602 /nfs/dbraw/zinc/03/46/02/217034602.db2.gz PAIAKVZSFOMOJM-DJYNDVHFSA-N 2 1 268.364 2.144 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000262193286 371836245 /nfs/dbraw/zinc/83/62/45/371836245.db2.gz YZZLYXRWTBZXFJ-LSDHHAIUSA-N 2 1 262.397 2.351 20 0 CEADMP Clc1ccccc1[C@@H]1CNCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262229844 371840173 /nfs/dbraw/zinc/84/01/73/371840173.db2.gz NUEZLYMXGNBECD-INIZCTEOSA-N 2 1 293.842 2.286 20 0 CEADMP Clc1ccccc1[C@@H]1CNCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262229844 371840178 /nfs/dbraw/zinc/84/01/78/371840178.db2.gz NUEZLYMXGNBECD-INIZCTEOSA-N 2 1 293.842 2.286 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](n2cccn2)C1 ZINC000361591265 371958942 /nfs/dbraw/zinc/95/89/42/371958942.db2.gz MEWVNMNDHHPLKY-LSDHHAIUSA-N 2 1 262.401 2.004 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000361591265 371958950 /nfs/dbraw/zinc/95/89/50/371958950.db2.gz MEWVNMNDHHPLKY-LSDHHAIUSA-N 2 1 262.401 2.004 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000361591265 371958958 /nfs/dbraw/zinc/95/89/58/371958958.db2.gz MEWVNMNDHHPLKY-LSDHHAIUSA-N 2 1 262.401 2.004 20 0 CEADMP CC(C)[C@H](O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534620 372023499 /nfs/dbraw/zinc/02/34/99/372023499.db2.gz QQWFGJMPMAEKAR-OAHLLOKOSA-N 2 1 256.434 2.201 20 0 CEADMP CO[C@@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000361749627 372052007 /nfs/dbraw/zinc/05/20/07/372052007.db2.gz KWOFXHHJTOULOD-ZIAGYGMSSA-N 2 1 251.374 2.129 20 0 CEADMP CC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361893878 372119420 /nfs/dbraw/zinc/11/94/20/372119420.db2.gz SCSRGNOHALVKMW-GOEBONIOSA-N 2 1 262.397 2.012 20 0 CEADMP CC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361893878 372119426 /nfs/dbraw/zinc/11/94/26/372119426.db2.gz SCSRGNOHALVKMW-GOEBONIOSA-N 2 1 262.397 2.012 20 0 CEADMP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000361807349 372079083 /nfs/dbraw/zinc/07/90/83/372079083.db2.gz XFGKMRPXUXAFIE-KGLIPLIRSA-N 2 1 256.434 2.105 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CN(C)C[C@@H]2C)c1 ZINC000344208307 217098208 /nfs/dbraw/zinc/09/82/08/217098208.db2.gz GMRCSOCFSDSNMY-YOEHRIQHSA-N 2 1 275.440 2.178 20 0 CEADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000361972472 372151623 /nfs/dbraw/zinc/15/16/23/372151623.db2.gz QZCXBUNPNQKLNS-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000362016619 372173617 /nfs/dbraw/zinc/17/36/17/372173617.db2.gz ASYYMOMTGLBXSB-LSDHHAIUSA-N 2 1 273.384 2.162 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C)cc2)[C@@H](C)C1 ZINC000268814368 372236367 /nfs/dbraw/zinc/23/63/67/372236367.db2.gz VGSPWQOGBNNBON-BHYGNILZSA-N 2 1 276.424 2.348 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2ccsc2)[C@H](C)C1 ZINC000268943572 372298012 /nfs/dbraw/zinc/29/80/12/372298012.db2.gz AVWZRJFEDNNLNL-VHDGCEQUSA-N 2 1 282.453 2.276 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cn1 ZINC000268843104 372252030 /nfs/dbraw/zinc/25/20/30/372252030.db2.gz IEPZHENGDOWPMB-LBPRGKRZSA-N 2 1 261.373 2.149 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCOCCC(C)C)CC1 ZINC000362181432 372261193 /nfs/dbraw/zinc/26/11/93/372261193.db2.gz AVEBHRPRKATSIA-UHFFFAOYSA-N 2 1 256.434 2.465 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCOCCC(C)C)CC1 ZINC000362181432 372261199 /nfs/dbraw/zinc/26/11/99/372261199.db2.gz AVEBHRPRKATSIA-UHFFFAOYSA-N 2 1 256.434 2.465 20 0 CEADMP COCC[N@H+](CCn1cc[nH+]c1C)C[C@H]1CC=CCC1 ZINC000362246074 372283976 /nfs/dbraw/zinc/28/39/76/372283976.db2.gz XDKQDXPGTWAMRC-INIZCTEOSA-N 2 1 277.412 2.496 20 0 CEADMP COCC[N@@H+](CCn1cc[nH+]c1C)C[C@H]1CC=CCC1 ZINC000362246074 372283982 /nfs/dbraw/zinc/28/39/82/372283982.db2.gz XDKQDXPGTWAMRC-INIZCTEOSA-N 2 1 277.412 2.496 20 0 CEADMP C[C@H](CC[NH+](C)C)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269003804 372312711 /nfs/dbraw/zinc/31/27/11/372312711.db2.gz MGGMOFUKDXSLLS-LZLYRXPVSA-N 2 1 289.467 2.437 20 0 CEADMP CCC[C@@H]([NH3+])c1cn(CCCCn2cc[nH+]c2C)nn1 ZINC000641150606 372348709 /nfs/dbraw/zinc/34/87/09/372348709.db2.gz NIHJEFJKQOADET-CYBMUJFWSA-N 2 1 276.388 2.063 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000269125722 372349181 /nfs/dbraw/zinc/34/91/81/372349181.db2.gz CROUEAPNDFBWRP-INIZCTEOSA-N 2 1 289.423 2.010 20 0 CEADMP Cc1cc(C)c(Cn2cc(C3CC[NH2+]CC3)nn2)c(C)[nH+]1 ZINC000641186973 372379570 /nfs/dbraw/zinc/37/95/70/372379570.db2.gz AHHVGDZTHWAQTG-UHFFFAOYSA-N 2 1 285.395 2.114 20 0 CEADMP CCc1cnc(C[NH2+]CC2=CC[N@H+](C)CC2)s1 ZINC000344359711 217168396 /nfs/dbraw/zinc/16/83/96/217168396.db2.gz QBUXURZVERNYJK-UHFFFAOYSA-N 2 1 251.399 2.057 20 0 CEADMP CCc1cnc(C[NH2+]CC2=CC[N@@H+](C)CC2)s1 ZINC000344359711 217168399 /nfs/dbraw/zinc/16/83/99/217168399.db2.gz QBUXURZVERNYJK-UHFFFAOYSA-N 2 1 251.399 2.057 20 0 CEADMP c1cn2c(cccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000362652275 372472841 /nfs/dbraw/zinc/47/28/41/372472841.db2.gz DAICDNBNSBQNHT-KGLIPLIRSA-N 2 1 270.380 2.051 20 0 CEADMP c1cn2c(cccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000362652275 372472844 /nfs/dbraw/zinc/47/28/44/372472844.db2.gz DAICDNBNSBQNHT-KGLIPLIRSA-N 2 1 270.380 2.051 20 0 CEADMP CCOC(=O)CC[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362614278 372458490 /nfs/dbraw/zinc/45/84/90/372458490.db2.gz FZVWGWVQGDVLQZ-CQSZACIVSA-N 2 1 294.439 2.136 20 0 CEADMP C[NH+](C)C[C@](C)(O)CNc1cc[nH+]c2ccsc21 ZINC000269837901 372574719 /nfs/dbraw/zinc/57/47/19/372574719.db2.gz GXRCSKBCIFUNSN-CYBMUJFWSA-N 2 1 265.382 2.021 20 0 CEADMP C[C@@H]1[C@H](C(=O)N(C)CCCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000641664664 372616244 /nfs/dbraw/zinc/61/62/44/372616244.db2.gz KHKFYEPSNZLKSK-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC1(C)CC([NH2+]Cc2ccncc2N)CC(C)(C)[NH2+]1 ZINC000641703534 372637933 /nfs/dbraw/zinc/63/79/33/372637933.db2.gz VLQUQPOMUSUPFG-UHFFFAOYSA-N 2 1 262.401 2.063 20 0 CEADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccncc2N)C1 ZINC000641707201 372642397 /nfs/dbraw/zinc/64/23/97/372642397.db2.gz CAEHSZJUUODGEE-KBPBESRZSA-N 2 1 276.428 2.121 20 0 CEADMP O=c1[nH]c2ccc(C[NH2+]CCC[NH+]3CCCCC3)cc2[nH]1 ZINC000641707816 372644290 /nfs/dbraw/zinc/64/42/90/372644290.db2.gz MTAGTTSGOPKPRA-UHFFFAOYSA-N 2 1 288.395 2.234 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cn3ccsc3n2)[C@H]2CCC[C@@H]21 ZINC000353394254 220061766 /nfs/dbraw/zinc/06/17/66/220061766.db2.gz MDWCHRNIARJRQA-RDBSUJKOSA-N 2 1 290.436 2.358 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn3ccsc3n2)[C@H]2CCC[C@@H]21 ZINC000353394254 220061769 /nfs/dbraw/zinc/06/17/69/220061769.db2.gz MDWCHRNIARJRQA-RDBSUJKOSA-N 2 1 290.436 2.358 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]C/C=C\c1ccccc1 ZINC000641771416 372714047 /nfs/dbraw/zinc/71/40/47/372714047.db2.gz HUEQNECPYXPHRV-SDMNGIDPSA-N 2 1 276.424 2.382 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(C)c(C)c1 ZINC000641772557 372716387 /nfs/dbraw/zinc/71/63/87/372716387.db2.gz RDBLGPINIWRKFT-QGZVFWFLSA-N 2 1 278.440 2.486 20 0 CEADMP CSc1cccc(NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641806883 372752790 /nfs/dbraw/zinc/75/27/90/372752790.db2.gz RXEOAQHWRXBTHS-OLZOCXBDSA-N 2 1 293.436 2.062 20 0 CEADMP Cc1ccc(NC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c(Cl)c1 ZINC000641808693 372757122 /nfs/dbraw/zinc/75/71/22/372757122.db2.gz ZSGNCLHYGLJOLO-STQMWFEESA-N 2 1 295.814 2.302 20 0 CEADMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000353435813 220080766 /nfs/dbraw/zinc/08/07/66/220080766.db2.gz GMCIOFSTSCBELM-IMJJTQAJSA-N 2 1 289.423 2.066 20 0 CEADMP CC1(C)COCC[N@H+]1CCNc1nc2ccccc2[nH]1 ZINC000270555389 372841468 /nfs/dbraw/zinc/84/14/68/372841468.db2.gz HRHLUMISKWRBNU-UHFFFAOYSA-N 2 1 274.368 2.086 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cs1 ZINC000353455040 220092654 /nfs/dbraw/zinc/09/26/54/220092654.db2.gz NRPUSCJWPZQDLX-RBSFLKMASA-N 2 1 279.453 2.456 20 0 CEADMP CCCCOC(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365401976 372849947 /nfs/dbraw/zinc/84/99/47/372849947.db2.gz HRKBJUNGBPPGMG-CQSZACIVSA-N 2 1 270.417 2.136 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365401976 372849953 /nfs/dbraw/zinc/84/99/53/372849953.db2.gz HRKBJUNGBPPGMG-CQSZACIVSA-N 2 1 270.417 2.136 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344639901 217259146 /nfs/dbraw/zinc/25/91/46/217259146.db2.gz HQUQABFUSMSWAX-UONOGXRCSA-N 2 1 297.487 2.390 20 0 CEADMP CC[C@@H](C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)[NH+](CC)CC ZINC000344651732 217263547 /nfs/dbraw/zinc/26/35/47/217263547.db2.gz ZXTFMRVMTONZME-LSDHHAIUSA-N 2 1 297.487 2.343 20 0 CEADMP COCCCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000365549009 372889998 /nfs/dbraw/zinc/88/99/98/372889998.db2.gz QQBZJFFLCLXGTB-OAGGEKHMSA-N 2 1 266.429 2.219 20 0 CEADMP COCCCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365549009 372890000 /nfs/dbraw/zinc/89/00/00/372890000.db2.gz QQBZJFFLCLXGTB-OAGGEKHMSA-N 2 1 266.429 2.219 20 0 CEADMP COCCCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365549009 372890001 /nfs/dbraw/zinc/89/00/01/372890001.db2.gz QQBZJFFLCLXGTB-OAGGEKHMSA-N 2 1 266.429 2.219 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC1CC[NH+](CC)CC1 ZINC000353479173 220105020 /nfs/dbraw/zinc/10/50/20/220105020.db2.gz HAGVNOBSFGOBRB-AWEZNQCLSA-N 2 1 255.450 2.181 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@@H]3CCC[NH2+][C@@H]3C)CC2)n1 ZINC000333340529 205233643 /nfs/dbraw/zinc/23/36/43/205233643.db2.gz XYLGYOHXQCMROL-WKIYYKSKSA-N 2 1 278.400 2.134 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCOC[C@@H](C2CCC2)C1 ZINC000366496998 373070467 /nfs/dbraw/zinc/07/04/67/373070467.db2.gz KZULXRKCRAQSFR-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP c1n[nH]c2c1[C@@H]([NH2+]CCCC[NH+]1CCCC1)CCC2 ZINC000367588643 373165652 /nfs/dbraw/zinc/16/56/52/373165652.db2.gz MUJBDOHEARNQKB-AWEZNQCLSA-N 2 1 262.401 2.253 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC[NH2+]C2CC2)C1 ZINC000643506472 373166696 /nfs/dbraw/zinc/16/66/96/373166696.db2.gz YCYXANOVKBPIJO-PBHICJAKSA-N 2 1 273.424 2.164 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1c[nH+]ccc1N ZINC000643453737 373123825 /nfs/dbraw/zinc/12/38/25/373123825.db2.gz WAIVESHTKIWVNB-YPMHNXCESA-N 2 1 253.349 2.485 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CCCCO3)C2)CC1 ZINC000366885899 373126427 /nfs/dbraw/zinc/12/64/27/373126427.db2.gz QDDQHJPXIQQEJU-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000643529560 373186945 /nfs/dbraw/zinc/18/69/45/373186945.db2.gz BAQSTMSAVVUSQD-NILFDRSVSA-N 2 1 282.815 2.367 20 0 CEADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CCC[N@@H+](C)C3)C[C@H]2C1 ZINC000643882869 373292140 /nfs/dbraw/zinc/29/21/40/373292140.db2.gz CKVLZQYDNHICPE-OWYFMNJBSA-N 2 1 266.429 2.121 20 0 CEADMP CC(C)c1noc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)n1 ZINC000643895313 373298882 /nfs/dbraw/zinc/29/88/82/373298882.db2.gz WOQANFDEPMOOFP-LBPRGKRZSA-N 2 1 278.400 2.157 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000353595327 220181056 /nfs/dbraw/zinc/18/10/56/220181056.db2.gz JLJIZRARCCCXLD-QAPCUYQASA-N 2 1 298.434 2.361 20 0 CEADMP CC(C)SCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369505006 373439790 /nfs/dbraw/zinc/43/97/90/373439790.db2.gz WMJVQEFWNNOUKO-MRXNPFEDSA-N 2 1 299.528 2.228 20 0 CEADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353629865 220206205 /nfs/dbraw/zinc/20/62/05/220206205.db2.gz GGBIDPNHIDUQSW-ZACQAIPSSA-N 2 1 273.424 2.395 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000370670241 373710561 /nfs/dbraw/zinc/71/05/61/373710561.db2.gz YODPKBJVPRSVLA-YCPHGPKFSA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000370670241 373710574 /nfs/dbraw/zinc/71/05/74/373710574.db2.gz YODPKBJVPRSVLA-YCPHGPKFSA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(-n2ccnc2)c1 ZINC000370653653 373707484 /nfs/dbraw/zinc/70/74/84/373707484.db2.gz TWXXMYBAKVHEAW-FMKPAKJESA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000370705729 373721542 /nfs/dbraw/zinc/72/15/42/373721542.db2.gz IOLZHHYCVJFURL-XUWVNRHRSA-N 2 1 295.471 2.190 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(n2cccn2)CC1 ZINC000371203836 373810997 /nfs/dbraw/zinc/81/09/97/373810997.db2.gz DNNAFZRFFFQHOV-UHFFFAOYSA-N 2 1 273.384 2.115 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCO1 ZINC000371427726 373880450 /nfs/dbraw/zinc/88/04/50/373880450.db2.gz YQVNUNZEYKNPCY-HOTGVXAUSA-N 2 1 296.455 2.179 20 0 CEADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)o1 ZINC000371468286 373893557 /nfs/dbraw/zinc/89/35/57/373893557.db2.gz ANOAWRPUHSOFOX-CWRNSKLLSA-N 2 1 278.396 2.272 20 0 CEADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)o1 ZINC000371468286 373893566 /nfs/dbraw/zinc/89/35/66/373893566.db2.gz ANOAWRPUHSOFOX-CWRNSKLLSA-N 2 1 278.396 2.272 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)[C@@H]2CCC[C@@H]21 ZINC000353671029 220244818 /nfs/dbraw/zinc/24/48/18/220244818.db2.gz CBIJBAJGDCUABV-VGWMRTNUSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1ccnc(C2CC[NH+](CCC[NH+]3CCCC3)CC2)n1 ZINC000371821788 373984939 /nfs/dbraw/zinc/98/49/39/373984939.db2.gz DENFBSSXUDHIKF-UHFFFAOYSA-N 2 1 288.439 2.450 20 0 CEADMP CCc1ccc([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)o1 ZINC000372064689 374036109 /nfs/dbraw/zinc/03/61/09/374036109.db2.gz IBHYHBGVUPAPSW-KCQAQPDRSA-N 2 1 278.396 2.356 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCF ZINC000274799937 374051856 /nfs/dbraw/zinc/05/18/56/374051856.db2.gz FBHWUJSMBNEMJD-HIFRSBDPSA-N 2 1 250.361 2.456 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCF ZINC000274799937 374051866 /nfs/dbraw/zinc/05/18/66/374051866.db2.gz FBHWUJSMBNEMJD-HIFRSBDPSA-N 2 1 250.361 2.456 20 0 CEADMP CC1CC[NH+](CC2CC[NH+](Cc3cc[nH]n3)CC2)CC1 ZINC000372391424 374116013 /nfs/dbraw/zinc/11/60/13/374116013.db2.gz IXLRDFBIQYPBKF-UHFFFAOYSA-N 2 1 276.428 2.354 20 0 CEADMP c1ccc(O[C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000372468220 374135112 /nfs/dbraw/zinc/13/51/12/374135112.db2.gz DICMWSUIQHEHKU-INIZCTEOSA-N 2 1 289.423 2.411 20 0 CEADMP c1ccc(O[C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000372468220 374135122 /nfs/dbraw/zinc/13/51/22/374135122.db2.gz DICMWSUIQHEHKU-INIZCTEOSA-N 2 1 289.423 2.411 20 0 CEADMP CC/C=C/CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000372520503 374148184 /nfs/dbraw/zinc/14/81/84/374148184.db2.gz FXIVVQXVKFBNEP-APHBUQMISA-N 2 1 265.445 2.055 20 0 CEADMP Cc1ccncc1CCCN1CCCC2(C1)OCCO2 ZINC000275241216 374195906 /nfs/dbraw/zinc/19/59/06/374195906.db2.gz NEHFLPIPTWSUOB-UHFFFAOYSA-N 2 1 276.380 2.162 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645810856 374197693 /nfs/dbraw/zinc/19/76/93/374197693.db2.gz CJRXORWHUQOMHQ-JKSUJKDBSA-N 2 1 268.445 2.467 20 0 CEADMP C[C@@H]1C[N@@H+](CC2=CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000645842906 374219162 /nfs/dbraw/zinc/21/91/62/374219162.db2.gz ZBODZDZQJHBISW-WBVHZDCISA-N 2 1 277.456 2.055 20 0 CEADMP CC[NH+]1CCC([N@H+](CCO[C@@H]2CCCCO2)C2CC2)CC1 ZINC000373116555 374270205 /nfs/dbraw/zinc/27/02/05/374270205.db2.gz XLLUAKBQRTXVSF-QGZVFWFLSA-N 2 1 296.455 2.478 20 0 CEADMP CC[NH+]1CCC([N@@H+](CCO[C@@H]2CCCCO2)C2CC2)CC1 ZINC000373116555 374270217 /nfs/dbraw/zinc/27/02/17/374270217.db2.gz XLLUAKBQRTXVSF-QGZVFWFLSA-N 2 1 296.455 2.478 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000373232237 374301786 /nfs/dbraw/zinc/30/17/86/374301786.db2.gz ZUCMMQJDAFQDOF-RRFJBIMHSA-N 2 1 277.412 2.375 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000373499323 374366770 /nfs/dbraw/zinc/36/67/70/374366770.db2.gz XBCLPLCMAKMJSJ-IUODEOHRSA-N 2 1 263.385 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000373499323 374366773 /nfs/dbraw/zinc/36/67/73/374366773.db2.gz XBCLPLCMAKMJSJ-IUODEOHRSA-N 2 1 263.385 2.081 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000373699566 374405843 /nfs/dbraw/zinc/40/58/43/374405843.db2.gz YFKQSYQVGNOJPK-NUEKZKHPSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H](C)N1CCC(c2c[nH]cn2)CC1 ZINC000374201975 374510514 /nfs/dbraw/zinc/51/05/14/374510514.db2.gz YFHWAYAMSQLXMC-QWHCGFSZSA-N 2 1 292.427 2.282 20 0 CEADMP Cc1nc(C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)no1 ZINC000374533906 374591288 /nfs/dbraw/zinc/59/12/88/374591288.db2.gz JQNBMZINGDYUNF-OAHLLOKOSA-N 2 1 292.427 2.432 20 0 CEADMP Cc1nc(C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000374533906 374591292 /nfs/dbraw/zinc/59/12/92/374591292.db2.gz JQNBMZINGDYUNF-OAHLLOKOSA-N 2 1 292.427 2.432 20 0 CEADMP CCCCOC(=O)[C@H](C)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000377262116 374825923 /nfs/dbraw/zinc/82/59/23/374825923.db2.gz NFHVYVJPIQLFFV-UONOGXRCSA-N 2 1 293.411 2.331 20 0 CEADMP OCCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377319462 374836252 /nfs/dbraw/zinc/83/62/52/374836252.db2.gz XLIZOSICFJXDLP-ROUUACIJSA-N 2 1 288.435 2.213 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000377694330 374925549 /nfs/dbraw/zinc/92/55/49/374925549.db2.gz INXLVMCGTDDUGV-MSOLQXFVSA-N 2 1 291.483 2.445 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000377694330 374925556 /nfs/dbraw/zinc/92/55/56/374925556.db2.gz INXLVMCGTDDUGV-MSOLQXFVSA-N 2 1 291.483 2.445 20 0 CEADMP Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000377702220 374928786 /nfs/dbraw/zinc/92/87/86/374928786.db2.gz PWQKMEBICRKHBM-ZIAGYGMSSA-N 2 1 270.380 2.500 20 0 CEADMP Cc1ncccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000378366756 375082756 /nfs/dbraw/zinc/08/27/56/375082756.db2.gz BPPIZHOTSRRBFT-YESZJQIVSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ncccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000378366756 375082764 /nfs/dbraw/zinc/08/27/64/375082764.db2.gz BPPIZHOTSRRBFT-YESZJQIVSA-N 2 1 289.423 2.074 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382407932 375184086 /nfs/dbraw/zinc/18/40/86/375184086.db2.gz SOWXVVUNALTZBA-UBDQQSCGSA-N 2 1 288.435 2.400 20 0 CEADMP Cc1ccc(C)c(OCCC[N@@H+](C)[C@@H](C)C[NH3+])c1 ZINC000383025372 375197887 /nfs/dbraw/zinc/19/78/87/375197887.db2.gz YJYCUMITFHPLEM-AWEZNQCLSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1ccc(C)c(OCCC[N@H+](C)[C@@H](C)C[NH3+])c1 ZINC000383025372 375197892 /nfs/dbraw/zinc/19/78/92/375197892.db2.gz YJYCUMITFHPLEM-AWEZNQCLSA-N 2 1 250.386 2.351 20 0 CEADMP C[N@@H+](CCCc1nc(-c2cccs2)no1)C1CC([NH3+])C1 ZINC000384829715 375219248 /nfs/dbraw/zinc/21/92/48/375219248.db2.gz GQIILSJLHJWCCC-UHFFFAOYSA-N 2 1 292.408 2.152 20 0 CEADMP C[C@@H]([NH2+]CCc1cccc(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000386554433 375262641 /nfs/dbraw/zinc/26/26/41/375262641.db2.gz HOZUAHXYLFVFGR-DOMZBBRYSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@@H]([NH2+]CCc1ccccc1F)[C@@H]1CCCC[NH2+]1 ZINC000386614075 375264035 /nfs/dbraw/zinc/26/40/35/375264035.db2.gz XDUBADMDDASBBY-DOMZBBRYSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccsc1 ZINC000282387473 375472797 /nfs/dbraw/zinc/47/27/97/375472797.db2.gz QZHYHYHQXHSVKA-CYBMUJFWSA-N 2 1 281.469 2.425 20 0 CEADMP Cc1nnc([C@@H](C)N2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000408189416 375425475 /nfs/dbraw/zinc/42/54/75/375425475.db2.gz NYXZMBUQRODNDZ-SECBINFHSA-N 2 1 261.329 2.042 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C12CCC2 ZINC000414176454 375800339 /nfs/dbraw/zinc/80/03/39/375800339.db2.gz IDUINIQLOVCFRA-VYDRJRHOSA-N 2 1 266.429 2.262 20 0 CEADMP COC1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000414184536 375801199 /nfs/dbraw/zinc/80/11/99/375801199.db2.gz ORRBZSOJYTVTLA-MMFDQKDXSA-N 2 1 254.418 2.262 20 0 CEADMP Cc1cc(CNCCC[N@@H+]2CCCC[C@H]2C)nn1C ZINC000414260922 375808003 /nfs/dbraw/zinc/80/80/03/375808003.db2.gz NIAROBQHJMRFKS-CYBMUJFWSA-N 2 1 264.417 2.083 20 0 CEADMP CCc1ncc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000414356951 375834093 /nfs/dbraw/zinc/83/40/93/375834093.db2.gz AVQSTLRAPFZJMY-OAHLLOKOSA-N 2 1 290.455 2.497 20 0 CEADMP CCc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000414356951 375834109 /nfs/dbraw/zinc/83/41/09/375834109.db2.gz AVQSTLRAPFZJMY-OAHLLOKOSA-N 2 1 290.455 2.497 20 0 CEADMP CC(C)C[C@H]([NH3+])c1noc([C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000414610853 375875109 /nfs/dbraw/zinc/87/51/09/375875109.db2.gz BMSWAQLKSBHOOD-SRVKXCTJSA-N 2 1 266.389 2.313 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](C)CC(=O)Nc2cccc(F)c2)CC[NH2+]1 ZINC000414672894 375911912 /nfs/dbraw/zinc/91/19/12/375911912.db2.gz IEAWZQJRAMEAKX-STQMWFEESA-N 2 1 293.386 2.084 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C[C@H]12 ZINC000414663577 375908165 /nfs/dbraw/zinc/90/81/65/375908165.db2.gz BKWIQJOJGQRZRG-QUSNUVHPSA-N 2 1 256.393 2.459 20 0 CEADMP COc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1SC ZINC000414777858 375964215 /nfs/dbraw/zinc/96/42/15/375964215.db2.gz OZIRCBJQJWVXHO-UHFFFAOYSA-N 2 1 266.410 2.339 20 0 CEADMP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1SC ZINC000414777858 375964221 /nfs/dbraw/zinc/96/42/21/375964221.db2.gz OZIRCBJQJWVXHO-UHFFFAOYSA-N 2 1 266.410 2.339 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc12 ZINC000414787183 375969508 /nfs/dbraw/zinc/96/95/08/375969508.db2.gz VGZFOPYAJSLPIH-CABCVRRESA-N 2 1 299.422 2.088 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc12 ZINC000414787185 375969542 /nfs/dbraw/zinc/96/95/42/375969542.db2.gz VGZFOPYAJSLPIH-HUUCEWRRSA-N 2 1 299.422 2.088 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccn1CC(F)(F)F ZINC000414794505 375977312 /nfs/dbraw/zinc/97/73/12/375977312.db2.gz FVIPLUNPGSLIQM-QWRGUYRKSA-N 2 1 290.333 2.053 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2nccn2C(F)F)CC[NH2+]1 ZINC000414678394 375913401 /nfs/dbraw/zinc/91/34/01/375913401.db2.gz QRBXAFBZGZGAEQ-QWRGUYRKSA-N 2 1 272.343 2.098 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1Cl ZINC000414794816 375978263 /nfs/dbraw/zinc/97/82/63/375978263.db2.gz MFUBOJBRLZZGLP-GFCCVEGCSA-N 2 1 256.777 2.422 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)C1CC1 ZINC000414795302 375978853 /nfs/dbraw/zinc/97/88/53/375978853.db2.gz GMVSSYVVJVIIIA-GOSISDBHSA-N 2 1 297.402 2.488 20 0 CEADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000414701935 375928029 /nfs/dbraw/zinc/92/80/29/375928029.db2.gz HDVOJIUUEJGFKU-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000414701935 375928032 /nfs/dbraw/zinc/92/80/32/375928032.db2.gz HDVOJIUUEJGFKU-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](C)CCc2ccccc2O)CC[NH2+]1 ZINC000414713292 375937114 /nfs/dbraw/zinc/93/71/14/375937114.db2.gz ONQXRAJKCHWZCE-KBPBESRZSA-N 2 1 262.397 2.255 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC000414713840 375937301 /nfs/dbraw/zinc/93/73/01/375937301.db2.gz UOOLWGFFGKVKHD-NXHRZFHOSA-N 2 1 288.435 2.318 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414728552 375941213 /nfs/dbraw/zinc/94/12/13/375941213.db2.gz CHEFNLHZUDCKGU-AHCXZYCDSA-N 3 1 287.451 2.049 20 0 CEADMP CC[NH2+]CCN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414835506 376009365 /nfs/dbraw/zinc/00/93/65/376009365.db2.gz UXDBDDARYMYMRK-GDBMZVCRSA-N 2 1 261.413 2.021 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000414880532 376011728 /nfs/dbraw/zinc/01/17/28/376011728.db2.gz QYKDWJPLULPUBW-IJEWVQPXSA-N 3 1 267.461 2.214 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)C1CCCC1 ZINC000415071622 376020032 /nfs/dbraw/zinc/02/00/32/376020032.db2.gz WTLLAUBIOKVDSI-INIZCTEOSA-N 2 1 288.439 2.289 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000417984038 376223551 /nfs/dbraw/zinc/22/35/51/376223551.db2.gz GFEZWYZWGQSLPW-DLBZAZTESA-N 2 1 288.435 2.227 20 0 CEADMP CCc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000287616595 376276757 /nfs/dbraw/zinc/27/67/57/376276757.db2.gz SSPWYFHOLVGZMJ-XOKHGSTOSA-N 2 1 276.424 2.355 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000419210840 376396284 /nfs/dbraw/zinc/39/62/84/376396284.db2.gz VZTBSSYMBBXXJX-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](O)C[NH+](C)C ZINC000305735969 376464700 /nfs/dbraw/zinc/46/47/00/376464700.db2.gz SLUBSVVMECDNCC-IPYPFGDCSA-N 2 1 262.397 2.055 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1Cc2ccccc2[C@H]1O ZINC000305774501 376484991 /nfs/dbraw/zinc/48/49/91/376484991.db2.gz JFWXYOFMGKFUQT-IAGOWNOFSA-N 2 1 285.391 2.172 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1Cc2ccccc2[C@H]1O ZINC000305774501 376484995 /nfs/dbraw/zinc/48/49/95/376484995.db2.gz JFWXYOFMGKFUQT-IAGOWNOFSA-N 2 1 285.391 2.172 20 0 CEADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000305772073 376485397 /nfs/dbraw/zinc/48/53/97/376485397.db2.gz SLZRJQIIRFIWKA-RFQIPJPRSA-N 2 1 256.434 2.102 20 0 CEADMP FC(F)(F)CO[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000557333366 376551631 /nfs/dbraw/zinc/55/16/31/376551631.db2.gz ARHVJXJUWWASHT-NEPJUHHUSA-N 2 1 280.334 2.029 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000307965860 376574833 /nfs/dbraw/zinc/57/48/33/376574833.db2.gz MOLRTSFXQOPPFQ-SMDDNHRTSA-N 2 1 264.417 2.079 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000289978129 376585737 /nfs/dbraw/zinc/58/57/37/376585737.db2.gz XSOQMYXMKKEKEH-QAPCUYQASA-N 2 1 298.434 2.452 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000289978129 376585745 /nfs/dbraw/zinc/58/57/45/376585745.db2.gz XSOQMYXMKKEKEH-QAPCUYQASA-N 2 1 298.434 2.452 20 0 CEADMP Cn1cncc1CC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000290093820 376639791 /nfs/dbraw/zinc/63/97/91/376639791.db2.gz RKWUQLIYRRBKCO-SFHVURJKSA-N 2 1 299.418 2.296 20 0 CEADMP Cn1cncc1CCN1CCO[C@@H](CCc2ccccc2)C1 ZINC000290093820 376639805 /nfs/dbraw/zinc/63/98/05/376639805.db2.gz RKWUQLIYRRBKCO-SFHVURJKSA-N 2 1 299.418 2.296 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCCc1cccc(OC)c1 ZINC000420389175 376687526 /nfs/dbraw/zinc/68/75/26/376687526.db2.gz NQJFLYKBQGIPMI-UHFFFAOYSA-N 2 1 250.386 2.169 20 0 CEADMP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000311890251 376692803 /nfs/dbraw/zinc/69/28/03/376692803.db2.gz YCAJCOZMLJKRMU-JJXSEGSLSA-N 2 1 266.429 2.002 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000312398755 376712915 /nfs/dbraw/zinc/71/29/15/376712915.db2.gz URTRHLCBCHSZEF-PMPSAXMXSA-N 2 1 276.428 2.124 20 0 CEADMP CCSCC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420985929 376757305 /nfs/dbraw/zinc/75/73/05/376757305.db2.gz XHKSNSZODKCJNG-UHFFFAOYSA-N 2 1 299.528 2.232 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ncccc2F)[C@@H]2CCC[C@H]21 ZINC000560537863 376761457 /nfs/dbraw/zinc/76/14/57/376761457.db2.gz URDBXTDNCIFDNO-CORIIIEPSA-N 2 1 263.360 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ncccc2F)[C@@H]2CCC[C@H]21 ZINC000560537863 376761461 /nfs/dbraw/zinc/76/14/61/376761461.db2.gz URDBXTDNCIFDNO-CORIIIEPSA-N 2 1 263.360 2.183 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cn1 ZINC000560540132 376761997 /nfs/dbraw/zinc/76/19/97/376761997.db2.gz QGWGAELKGBRXNT-BRWVUGGUSA-N 2 1 273.424 2.395 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c[nH]c3nccnc23)C1 ZINC000290440971 376778702 /nfs/dbraw/zinc/77/87/02/376778702.db2.gz NVLZYRBKSQUTOA-CYBMUJFWSA-N 2 1 287.411 2.122 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c[nH]c3nccnc23)C1 ZINC000290440971 376778707 /nfs/dbraw/zinc/77/87/07/376778707.db2.gz NVLZYRBKSQUTOA-CYBMUJFWSA-N 2 1 287.411 2.122 20 0 CEADMP COc1ccccc1OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000314848842 376786312 /nfs/dbraw/zinc/78/63/12/376786312.db2.gz ZSGDBELJQUKNBQ-GASCZTMLSA-N 2 1 290.407 2.005 20 0 CEADMP C[N@@H+](CCCNC(=O)CC[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000315210779 376795290 /nfs/dbraw/zinc/79/52/90/376795290.db2.gz MUEZIMRWFAWGOW-HNNXBMFYSA-N 2 1 295.471 2.289 20 0 CEADMP COCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280388592 542131250 /nfs/dbraw/zinc/13/12/50/542131250.db2.gz KGMPKJWWTXWHOG-NXHRZFHOSA-N 2 1 288.435 2.475 20 0 CEADMP COCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280388592 542131255 /nfs/dbraw/zinc/13/12/55/542131255.db2.gz KGMPKJWWTXWHOG-NXHRZFHOSA-N 2 1 288.435 2.475 20 0 CEADMP CC(C)[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000322393786 376829294 /nfs/dbraw/zinc/82/92/94/376829294.db2.gz RGVQXONGDDMABO-NIOBXDJOSA-N 2 1 266.429 2.405 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)CCO2 ZINC000290635401 376862750 /nfs/dbraw/zinc/86/27/50/376862750.db2.gz YFSDLPKLLCELKD-BBRMVZONSA-N 2 1 274.408 2.394 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)CCO2 ZINC000290635401 376862754 /nfs/dbraw/zinc/86/27/54/376862754.db2.gz YFSDLPKLLCELKD-BBRMVZONSA-N 2 1 274.408 2.394 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000290635401 376862759 /nfs/dbraw/zinc/86/27/59/376862759.db2.gz YFSDLPKLLCELKD-BBRMVZONSA-N 2 1 274.408 2.394 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000290635401 376862764 /nfs/dbraw/zinc/86/27/64/376862764.db2.gz YFSDLPKLLCELKD-BBRMVZONSA-N 2 1 274.408 2.394 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000422949475 376874046 /nfs/dbraw/zinc/87/40/46/376874046.db2.gz VEPYPOFBSJKKDL-STQMWFEESA-N 2 1 299.212 2.297 20 0 CEADMP CC[C@H]([NH2+]Cc1ccc(NCCOC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422963006 376888797 /nfs/dbraw/zinc/88/87/97/376888797.db2.gz FAADLOJYOWGCFG-IRXDYDNUSA-N 2 1 291.439 2.365 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000423078814 376972050 /nfs/dbraw/zinc/97/20/50/376972050.db2.gz WUYSUCUPDOWTML-NUEKZKHPSA-N 2 1 265.445 2.110 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000423078814 376972052 /nfs/dbraw/zinc/97/20/52/376972052.db2.gz WUYSUCUPDOWTML-NUEKZKHPSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1c[nH+]ccc1N ZINC000423083397 376976371 /nfs/dbraw/zinc/97/63/71/376976371.db2.gz YURJSVZKIKMZDF-LRDDRELGSA-N 2 1 277.412 2.476 20 0 CEADMP CC(C)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000562525233 376919895 /nfs/dbraw/zinc/91/98/95/376919895.db2.gz SSXXCHWIYAAZMN-HNNXBMFYSA-N 2 1 267.461 2.037 20 0 CEADMP c1[nH]c2nccnc2c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000290797064 376930627 /nfs/dbraw/zinc/93/06/27/376930627.db2.gz DSWUENBLDJFOBB-UHFFFAOYSA-N 2 1 299.422 2.455 20 0 CEADMP CCOC(=O)c1cnccc1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000290802565 376933094 /nfs/dbraw/zinc/93/30/94/376933094.db2.gz PYMFCSGYUFCINH-NEPJUHHUSA-N 2 1 289.379 2.295 20 0 CEADMP CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423086793 376978999 /nfs/dbraw/zinc/97/89/99/376978999.db2.gz ODMTWCXGYLJVEZ-OLZOCXBDSA-N 2 1 278.444 2.230 20 0 CEADMP C[C@H]([NH2+]C[C@H](CO)c1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000423120766 377017942 /nfs/dbraw/zinc/01/79/42/377017942.db2.gz HMEZBXSZQUOOGT-ZOWXZIJZSA-N 2 1 282.815 2.146 20 0 CEADMP C[C@H]([NH2+]C[C@@H](CO)c1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000423120759 377018158 /nfs/dbraw/zinc/01/81/58/377018158.db2.gz HMEZBXSZQUOOGT-HUBLWGQQSA-N 2 1 282.815 2.146 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423132172 377032275 /nfs/dbraw/zinc/03/22/75/377032275.db2.gz BRSYJQMDISQING-SOUVJXGZSA-N 2 1 255.450 2.085 20 0 CEADMP COC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423089898 376981193 /nfs/dbraw/zinc/98/11/93/376981193.db2.gz UECGYEIVIFDZRS-AWEZNQCLSA-N 2 1 268.788 2.369 20 0 CEADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423091033 376984332 /nfs/dbraw/zinc/98/43/32/376984332.db2.gz YZXRNVZLYZOCSF-ZNMIVQPWSA-N 2 1 267.461 2.214 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423091033 376984340 /nfs/dbraw/zinc/98/43/40/376984340.db2.gz YZXRNVZLYZOCSF-ZNMIVQPWSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)[C@@H]1CCC[NH2+]1 ZINC000423114899 377010164 /nfs/dbraw/zinc/01/01/64/377010164.db2.gz MLWYBSPKJDGRBG-NNYUYHANSA-N 2 1 262.344 2.267 20 0 CEADMP C[C@H]([NH2+]CC1(c2ccccn2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423114757 377011280 /nfs/dbraw/zinc/01/12/80/377011280.db2.gz WGEBDBAMUXERPL-KBPBESRZSA-N 2 1 259.397 2.233 20 0 CEADMP COc1cccc2c1C[C@@H]([NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C2 ZINC000423166769 377072052 /nfs/dbraw/zinc/07/20/52/377072052.db2.gz DECXAUHXJICPNL-INWMFGNUSA-N 2 1 274.408 2.283 20 0 CEADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC[NH3+] ZINC000423179237 377089945 /nfs/dbraw/zinc/08/99/45/377089945.db2.gz JJLHHQOYJJPSHV-MRVPVSSYSA-N 2 1 275.165 2.068 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cn1 ZINC000423207070 377124920 /nfs/dbraw/zinc/12/49/20/377124920.db2.gz GOAPYAZWMWVJEX-STQMWFEESA-N 2 1 250.390 2.114 20 0 CEADMP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423221084 377136894 /nfs/dbraw/zinc/13/68/94/377136894.db2.gz ZEZUXZJYUMPTRW-WDEREUQCSA-N 2 1 254.399 2.407 20 0 CEADMP C[NH2+]CCN[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000423228216 377145118 /nfs/dbraw/zinc/14/51/18/377145118.db2.gz YTSDYXKVDQZULM-LBPRGKRZSA-N 2 1 258.369 2.051 20 0 CEADMP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1OC ZINC000423239072 377157190 /nfs/dbraw/zinc/15/71/90/377157190.db2.gz RSYJMQVMOKGSDB-ZFWWWQNUSA-N 2 1 292.423 2.285 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000563352105 377179738 /nfs/dbraw/zinc/17/97/38/377179738.db2.gz BUJYRWXVYYVHQT-ZWKOTPCHSA-N 2 1 298.434 2.388 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000423259727 377179671 /nfs/dbraw/zinc/17/96/71/377179671.db2.gz FRZDCSIREKEMPD-HIFRSBDPSA-N 2 1 287.411 2.291 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000423268157 377186052 /nfs/dbraw/zinc/18/60/52/377186052.db2.gz GFIIBVMBTQUOTQ-WFASDCNBSA-N 2 1 277.412 2.022 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000423270049 377189177 /nfs/dbraw/zinc/18/91/77/377189177.db2.gz WKBPVNWXDHNBHF-BBRMVZONSA-N 2 1 291.439 2.412 20 0 CEADMP CCc1nc2c(s1)[C@H]([NH2+]CC(C)(C)[NH3+])CCC2 ZINC000423286379 377215588 /nfs/dbraw/zinc/21/55/88/377215588.db2.gz GXPLIYYFLJKORN-SECBINFHSA-N 2 1 253.415 2.410 20 0 CEADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(Br)s1 ZINC000423301235 377230219 /nfs/dbraw/zinc/23/02/19/377230219.db2.gz GRTYIBJSVASISX-ZETCQYMHSA-N 2 1 275.215 2.381 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c(C)c1OC ZINC000423335999 377268287 /nfs/dbraw/zinc/26/82/87/377268287.db2.gz XNXPZIGZBCFWPG-RISCZKNCSA-N 2 1 278.396 2.400 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423304982 377235214 /nfs/dbraw/zinc/23/52/14/377235214.db2.gz ZUXDZJBOKBSJFZ-YIYPIFLZSA-N 2 1 252.402 2.051 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CC2C[NH2+]C2)ccc1SC ZINC000423308736 377236260 /nfs/dbraw/zinc/23/62/60/377236260.db2.gz YFEMBAFTPOUUNS-SNVBAGLBSA-N 2 1 266.410 2.287 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000563530676 377242641 /nfs/dbraw/zinc/24/26/41/377242641.db2.gz UXDUGSMVZPQJIT-FMKPAKJESA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000563530676 377242647 /nfs/dbraw/zinc/24/26/47/377242647.db2.gz UXDUGSMVZPQJIT-FMKPAKJESA-N 2 1 268.445 2.248 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423319296 377250056 /nfs/dbraw/zinc/25/00/56/377250056.db2.gz FBWPXFOLXSQSMY-KCPJHIHWSA-N 2 1 282.815 2.367 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)CCC2 ZINC000423320251 377250288 /nfs/dbraw/zinc/25/02/88/377250288.db2.gz MGFVDAJVMYNNEA-HOTGVXAUSA-N 2 1 260.381 2.400 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423323195 377254683 /nfs/dbraw/zinc/25/46/83/377254683.db2.gz ACQWROHBICTFAG-RISCZKNCSA-N 2 1 251.349 2.261 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(-n2cccn2)cc1 ZINC000423334519 377265599 /nfs/dbraw/zinc/26/55/99/377265599.db2.gz WPEFJVNSDHAPGV-MLGOLLRUSA-N 2 1 270.380 2.260 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000423276391 377200591 /nfs/dbraw/zinc/20/05/91/377200591.db2.gz OJKSJWIJCWPNIT-GXTWGEPZSA-N 2 1 264.417 2.476 20 0 CEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423279645 377204497 /nfs/dbraw/zinc/20/44/97/377204497.db2.gz RWDJDXNNZWHZKG-BMIGLBTASA-N 2 1 287.407 2.304 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C(C)C)C1CC(C)(C)C1 ZINC000563971255 377332004 /nfs/dbraw/zinc/33/20/04/377332004.db2.gz NWJWGNSPOARAQB-AWEZNQCLSA-N 2 1 256.434 2.198 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C(C)C)C1CC(C)(C)C1 ZINC000563971255 377332010 /nfs/dbraw/zinc/33/20/10/377332010.db2.gz NWJWGNSPOARAQB-AWEZNQCLSA-N 2 1 256.434 2.198 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C(C)C)C1CC(C)(C)C1 ZINC000563971255 377332018 /nfs/dbraw/zinc/33/20/18/377332018.db2.gz NWJWGNSPOARAQB-AWEZNQCLSA-N 2 1 256.434 2.198 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C(C)C)C1CC(C)(C)C1 ZINC000563971255 377332023 /nfs/dbraw/zinc/33/20/23/377332023.db2.gz NWJWGNSPOARAQB-AWEZNQCLSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000292772407 377273411 /nfs/dbraw/zinc/27/34/11/377273411.db2.gz JTMQQHPSFFAFFH-KRWDZBQOSA-N 2 1 294.414 2.192 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000564777324 377453028 /nfs/dbraw/zinc/45/30/28/377453028.db2.gz DSTLTGRPWHFRPV-WDNDVIMCSA-N 2 1 254.418 2.406 20 0 CEADMP Cc1c[nH+]ccc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000427987785 377479165 /nfs/dbraw/zinc/47/91/65/377479165.db2.gz CGLRQSBUKWLRBQ-UHFFFAOYSA-N 2 1 297.402 2.256 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCN(C(=O)CC)CC1 ZINC000685634134 542171334 /nfs/dbraw/zinc/17/13/34/542171334.db2.gz MGLLFYJHQCKHPW-AWEZNQCLSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCN(C(=O)CC)CC1 ZINC000685634134 542171338 /nfs/dbraw/zinc/17/13/38/542171338.db2.gz MGLLFYJHQCKHPW-AWEZNQCLSA-N 2 1 283.460 2.097 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](CCOc2cccc(F)c2)C1 ZINC000430645537 377532675 /nfs/dbraw/zinc/53/26/75/377532675.db2.gz VAGSKHNLDVUMQL-CYBMUJFWSA-N 2 1 266.360 2.136 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000430645537 377532680 /nfs/dbraw/zinc/53/26/80/377532680.db2.gz VAGSKHNLDVUMQL-CYBMUJFWSA-N 2 1 266.360 2.136 20 0 CEADMP C[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000430743382 377546626 /nfs/dbraw/zinc/54/66/26/377546626.db2.gz OHCQKEYQCGQPBF-YCPHGPKFSA-N 2 1 289.423 2.066 20 0 CEADMP C[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000430743382 377546632 /nfs/dbraw/zinc/54/66/32/377546632.db2.gz OHCQKEYQCGQPBF-YCPHGPKFSA-N 2 1 289.423 2.066 20 0 CEADMP Cc1ccccc1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000265265284 190170572 /nfs/dbraw/zinc/17/05/72/190170572.db2.gz ZBAAQTHLTGOFBC-UHFFFAOYSA-N 2 1 276.424 2.274 20 0 CEADMP Cc1ccccc1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000265265284 190170573 /nfs/dbraw/zinc/17/05/73/190170573.db2.gz ZBAAQTHLTGOFBC-UHFFFAOYSA-N 2 1 276.424 2.274 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccnn1-c1ccccc1 ZINC000281200932 542186385 /nfs/dbraw/zinc/18/63/85/542186385.db2.gz KGJXMKWVKCSMME-AWEZNQCLSA-N 2 1 272.396 2.475 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000431552799 377652036 /nfs/dbraw/zinc/65/20/36/377652036.db2.gz KTITVQOAFAGFDP-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(SC)cc1 ZINC000566922482 377783905 /nfs/dbraw/zinc/78/39/05/377783905.db2.gz KSWYRAQHPIUBNI-JSGCOSHPSA-N 2 1 282.453 2.372 20 0 CEADMP CCN(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000566922482 377783913 /nfs/dbraw/zinc/78/39/13/377783913.db2.gz KSWYRAQHPIUBNI-JSGCOSHPSA-N 2 1 282.453 2.372 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)CC1CCCC1 ZINC000567160388 377805500 /nfs/dbraw/zinc/80/55/00/377805500.db2.gz FMNYWXYKFLAXRL-CZUORRHYSA-N 2 1 279.428 2.358 20 0 CEADMP C[NH2+]CCC[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000435876779 377812175 /nfs/dbraw/zinc/81/21/75/377812175.db2.gz KLKAXRJICWQZLV-LBPRGKRZSA-N 2 1 253.415 2.370 20 0 CEADMP C[NH2+]CCC[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000435876779 377812185 /nfs/dbraw/zinc/81/21/85/377812185.db2.gz KLKAXRJICWQZLV-LBPRGKRZSA-N 2 1 253.415 2.370 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000437097094 377840287 /nfs/dbraw/zinc/84/02/87/377840287.db2.gz MXJNDBCWSNOIQP-HLLBOEOZSA-N 2 1 287.451 2.225 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CC[C@H]2CCOC2)C1 ZINC000438071498 377879863 /nfs/dbraw/zinc/87/98/63/377879863.db2.gz KBFISVRELVQPDR-XHSDSOJGSA-N 2 1 268.445 2.371 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@H]2CCOC2)C1 ZINC000438097884 377884164 /nfs/dbraw/zinc/88/41/64/377884164.db2.gz UVCUUOWJIAGAKQ-JKSUJKDBSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000438097884 377884166 /nfs/dbraw/zinc/88/41/66/377884166.db2.gz UVCUUOWJIAGAKQ-JKSUJKDBSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000438097884 377884172 /nfs/dbraw/zinc/88/41/72/377884172.db2.gz UVCUUOWJIAGAKQ-JKSUJKDBSA-N 2 1 266.429 2.077 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438540880 377906805 /nfs/dbraw/zinc/90/68/05/377906805.db2.gz MBBOFTBISNEVDG-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438540880 377906808 /nfs/dbraw/zinc/90/68/08/377906808.db2.gz MBBOFTBISNEVDG-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438540880 377906811 /nfs/dbraw/zinc/90/68/11/377906811.db2.gz MBBOFTBISNEVDG-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)n21 ZINC000442919431 378017792 /nfs/dbraw/zinc/01/77/92/378017792.db2.gz FHLHVMHBELEEJQ-AWEZNQCLSA-N 2 1 272.396 2.204 20 0 CEADMP O=C1CCN1c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000442819113 378003419 /nfs/dbraw/zinc/00/34/19/378003419.db2.gz HRAFNPGJOFOKSV-JKSUJKDBSA-N 2 1 299.418 2.140 20 0 CEADMP O=C1CCN1c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000442819113 378003424 /nfs/dbraw/zinc/00/34/24/378003424.db2.gz HRAFNPGJOFOKSV-JKSUJKDBSA-N 2 1 299.418 2.140 20 0 CEADMP Cc1cccc2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cn21 ZINC000443078233 378035883 /nfs/dbraw/zinc/03/58/83/378035883.db2.gz WENZNDBDNZRCGD-AWEZNQCLSA-N 2 1 272.396 2.204 20 0 CEADMP c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)n(-c2ccccc2)n1 ZINC000447945704 378163506 /nfs/dbraw/zinc/16/35/06/378163506.db2.gz XQDDBFDBRQLPKT-HNNXBMFYSA-N 2 1 296.418 2.446 20 0 CEADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)n(-c2ccccc2)n1 ZINC000447945704 378163508 /nfs/dbraw/zinc/16/35/08/378163508.db2.gz XQDDBFDBRQLPKT-HNNXBMFYSA-N 2 1 296.418 2.446 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000450428113 378412004 /nfs/dbraw/zinc/41/20/04/378412004.db2.gz GXMUCUKIRVJLHH-JFIYKMOQSA-N 2 1 290.451 2.425 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000450428113 378412012 /nfs/dbraw/zinc/41/20/12/378412012.db2.gz GXMUCUKIRVJLHH-JFIYKMOQSA-N 2 1 290.451 2.425 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000450428113 378412016 /nfs/dbraw/zinc/41/20/16/378412016.db2.gz GXMUCUKIRVJLHH-JFIYKMOQSA-N 2 1 290.451 2.425 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000450395657 378392122 /nfs/dbraw/zinc/39/21/22/378392122.db2.gz VFRMCJWZGWBYAG-DLBZAZTESA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000450395657 378392125 /nfs/dbraw/zinc/39/21/25/378392125.db2.gz VFRMCJWZGWBYAG-DLBZAZTESA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000450395657 378392131 /nfs/dbraw/zinc/39/21/31/378392131.db2.gz VFRMCJWZGWBYAG-DLBZAZTESA-N 2 1 279.472 2.418 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CCc2cscn2)C[C@H]1C ZINC000450467139 378432027 /nfs/dbraw/zinc/43/20/27/378432027.db2.gz KMZPWDCLBNKWDQ-OCCSQVGLSA-N 2 1 267.442 2.490 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2cscn2)C[C@H]1C ZINC000450467139 378432032 /nfs/dbraw/zinc/43/20/32/378432032.db2.gz KMZPWDCLBNKWDQ-OCCSQVGLSA-N 2 1 267.442 2.490 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cscn2)C[C@H]1C ZINC000450467139 378432036 /nfs/dbraw/zinc/43/20/36/378432036.db2.gz KMZPWDCLBNKWDQ-OCCSQVGLSA-N 2 1 267.442 2.490 20 0 CEADMP C[C@H](O)CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450730756 378552068 /nfs/dbraw/zinc/55/20/68/378552068.db2.gz XNCIJEVTEAOMSZ-SOUVJXGZSA-N 2 1 268.445 2.390 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4ccccc43)C[C@@H]21 ZINC000450776319 378573427 /nfs/dbraw/zinc/57/34/27/378573427.db2.gz HMIMAKKGECBEOX-WBMJQRKESA-N 2 1 253.349 2.375 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)CC1CCC(=O)CC1 ZINC000450901905 378637449 /nfs/dbraw/zinc/63/74/49/378637449.db2.gz JAMZIZSBFHBOIW-UHFFFAOYSA-N 2 1 252.402 2.163 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)CC1CCC(=O)CC1 ZINC000450901905 378637454 /nfs/dbraw/zinc/63/74/54/378637454.db2.gz JAMZIZSBFHBOIW-UHFFFAOYSA-N 2 1 252.402 2.163 20 0 CEADMP CCc1ccc2[nH+]ccc(N3CC[N@@H+](CCO)C[C@H]3C)c2c1 ZINC000450954237 378659124 /nfs/dbraw/zinc/65/91/24/378659124.db2.gz NAQATIAGQKWXJC-CQSZACIVSA-N 2 1 299.418 2.300 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn2ccccc2n1 ZINC000266169245 190236691 /nfs/dbraw/zinc/23/66/91/190236691.db2.gz BTLFCSZHOVMAOM-UHFFFAOYSA-N 2 1 269.352 2.019 20 0 CEADMP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453093543 378800059 /nfs/dbraw/zinc/80/00/59/378800059.db2.gz MOCAMZDKRPTXQW-VDHUWJSZSA-N 2 1 288.435 2.400 20 0 CEADMP Oc1ccccc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298598000 378775927 /nfs/dbraw/zinc/77/59/27/378775927.db2.gz YYPBAGSHRIDQHT-UHFFFAOYSA-N 2 1 260.381 2.151 20 0 CEADMP CC(C)[C@H]1[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC12CCCC2 ZINC000453035414 378781322 /nfs/dbraw/zinc/78/13/22/378781322.db2.gz JYYOYULMJBUNAG-JKSUJKDBSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@H]1[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC12CCCC2 ZINC000453035414 378781325 /nfs/dbraw/zinc/78/13/25/378781325.db2.gz JYYOYULMJBUNAG-JKSUJKDBSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@H]1[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC12CCCC2 ZINC000453035414 378781330 /nfs/dbraw/zinc/78/13/30/378781330.db2.gz JYYOYULMJBUNAG-JKSUJKDBSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@H]1[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC12CCCC2 ZINC000453035414 378781336 /nfs/dbraw/zinc/78/13/36/378781336.db2.gz JYYOYULMJBUNAG-JKSUJKDBSA-N 2 1 280.456 2.342 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)C[C@H]12 ZINC000346842425 218031992 /nfs/dbraw/zinc/03/19/92/218031992.db2.gz HQRMDNKTGAHHJY-TUKIKUTGSA-N 2 1 288.420 2.103 20 0 CEADMP C[C@@H](Cc1cnccn1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000453112509 378807123 /nfs/dbraw/zinc/80/71/23/378807123.db2.gz DCHBEJUQDZKRMJ-HOCLYGCPSA-N 2 1 288.439 2.262 20 0 CEADMP C[C@@H](Cc1cnccn1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000453112509 378807128 /nfs/dbraw/zinc/80/71/28/378807128.db2.gz DCHBEJUQDZKRMJ-HOCLYGCPSA-N 2 1 288.439 2.262 20 0 CEADMP COc1ccsc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346823058 218024179 /nfs/dbraw/zinc/02/41/79/218024179.db2.gz KCWMDUAOVQYRKY-SRVKXCTJSA-N 2 1 266.410 2.316 20 0 CEADMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccccc2)n1 ZINC000346821524 218024262 /nfs/dbraw/zinc/02/42/62/218024262.db2.gz IJZNFVICJLZCMH-USXIJHARSA-N 2 1 296.418 2.256 20 0 CEADMP CC[NH+]1CCC([NH+]2CCC(OCCOC(C)C)CC2)CC1 ZINC000453344643 378867719 /nfs/dbraw/zinc/86/77/19/378867719.db2.gz DXRHYFOGFFPUCC-UHFFFAOYSA-N 2 1 298.471 2.377 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453400390 378888532 /nfs/dbraw/zinc/88/85/32/378888532.db2.gz LZQFSWOSAIFTGP-INIZCTEOSA-N 2 1 278.444 2.372 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CN1C1CC1 ZINC000453405308 378890042 /nfs/dbraw/zinc/89/00/42/378890042.db2.gz QIDIZJALARLKHA-KBPBESRZSA-N 2 1 265.445 2.076 20 0 CEADMP CC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346977899 218076587 /nfs/dbraw/zinc/07/65/87/218076587.db2.gz NFQIUDDVIGVLMV-DLBZAZTESA-N 2 1 276.424 2.259 20 0 CEADMP CC(C)([NH3+])C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000346988371 218082085 /nfs/dbraw/zinc/08/20/85/218082085.db2.gz QYXPFWQXLUDGKX-MRXNPFEDSA-N 2 1 276.424 2.486 20 0 CEADMP CN(C)Cc1cnc(C[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000453596945 378916214 /nfs/dbraw/zinc/91/62/14/378916214.db2.gz MJUVNGCIOQWOBT-UHFFFAOYSA-N 2 1 296.484 2.169 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CCCC[N@H+](C)C2CC2)s1 ZINC000453596945 378916216 /nfs/dbraw/zinc/91/62/16/378916216.db2.gz MJUVNGCIOQWOBT-UHFFFAOYSA-N 3 1 296.484 2.169 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000453596945 378916219 /nfs/dbraw/zinc/91/62/19/378916219.db2.gz MJUVNGCIOQWOBT-UHFFFAOYSA-N 3 1 296.484 2.169 20 0 CEADMP COc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cn1 ZINC000453598152 378916592 /nfs/dbraw/zinc/91/65/92/378916592.db2.gz PFQDLESCIUQBJY-UHFFFAOYSA-N 2 1 263.385 2.054 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CCc2cc(Cl)ccc21)C[NH+]1CCCC1 ZINC000299160409 378920792 /nfs/dbraw/zinc/92/07/92/378920792.db2.gz LBRZHSVGTQYOIN-GDBMZVCRSA-N 2 1 294.826 2.374 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2csc(COC)n2)CC1 ZINC000347039498 218100762 /nfs/dbraw/zinc/10/07/62/218100762.db2.gz HEBCFOYQTICOFI-UHFFFAOYSA-N 2 1 283.441 2.111 20 0 CEADMP COc1cc2c(c(C[N@@H+]3CCC[C@@H](C[NH3+])C3)c1)O[C@H](C)C2 ZINC000347022402 218095125 /nfs/dbraw/zinc/09/51/25/218095125.db2.gz OEEGDYRQOIVXSO-OLZOCXBDSA-N 2 1 290.407 2.189 20 0 CEADMP COc1cc2c(c(C[N@H+]3CCC[C@@H](C[NH3+])C3)c1)O[C@H](C)C2 ZINC000347022402 218095128 /nfs/dbraw/zinc/09/51/28/218095128.db2.gz OEEGDYRQOIVXSO-OLZOCXBDSA-N 2 1 290.407 2.189 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000347029530 218096751 /nfs/dbraw/zinc/09/67/51/218096751.db2.gz WLJLMHMPDBIVLT-OAHLLOKOSA-N 2 1 298.434 2.491 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1C ZINC000347104108 218122458 /nfs/dbraw/zinc/12/24/58/218122458.db2.gz LABWYHKRSMGXDM-NHYWBVRUSA-N 2 1 264.417 2.079 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1C ZINC000347104108 218122459 /nfs/dbraw/zinc/12/24/59/218122459.db2.gz LABWYHKRSMGXDM-NHYWBVRUSA-N 2 1 264.417 2.079 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347106766 218123515 /nfs/dbraw/zinc/12/35/15/218123515.db2.gz MAJDZTQMBRQEJR-OLZOCXBDSA-N 2 1 278.444 2.104 20 0 CEADMP Cn1cc(C[N@H+](C)C2CC[NH2+]CC2)c(-c2ccccc2)n1 ZINC000347115626 218126124 /nfs/dbraw/zinc/12/61/24/218126124.db2.gz TZVBPBNEQLLRTP-UHFFFAOYSA-N 2 1 284.407 2.271 20 0 CEADMP Cn1cc(C[N@@H+](C)C2CC[NH2+]CC2)c(-c2ccccc2)n1 ZINC000347115626 218126125 /nfs/dbraw/zinc/12/61/25/218126125.db2.gz TZVBPBNEQLLRTP-UHFFFAOYSA-N 2 1 284.407 2.271 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC[N@@H+]1C ZINC000503853482 379071627 /nfs/dbraw/zinc/07/16/27/379071627.db2.gz DKHFVLNTMUAFPG-IRCOFANPSA-N 2 1 262.344 2.219 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC[N@H+]1C ZINC000503853482 379071629 /nfs/dbraw/zinc/07/16/29/379071629.db2.gz DKHFVLNTMUAFPG-IRCOFANPSA-N 2 1 262.344 2.219 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000347463540 218243473 /nfs/dbraw/zinc/24/34/73/218243473.db2.gz HTXNECDFQHKOGI-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000347463540 218243474 /nfs/dbraw/zinc/24/34/74/218243474.db2.gz HTXNECDFQHKOGI-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000347463540 218243476 /nfs/dbraw/zinc/24/34/76/218243476.db2.gz HTXNECDFQHKOGI-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(F)c1 ZINC000299931274 379146263 /nfs/dbraw/zinc/14/62/63/379146263.db2.gz ARWZCDHJKALHFW-HZUKXOBISA-N 2 1 278.371 2.394 20 0 CEADMP COCC[NH+]1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000301336264 379259851 /nfs/dbraw/zinc/25/98/51/379259851.db2.gz DDVHETQKKMQBBZ-UHFFFAOYSA-N 2 1 289.354 2.142 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cscn1 ZINC000278967134 194234533 /nfs/dbraw/zinc/23/45/33/194234533.db2.gz NBXKHOHLXYZFOL-MNOVXSKESA-N 2 1 262.382 2.253 20 0 CEADMP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000525986389 379689301 /nfs/dbraw/zinc/68/93/01/379689301.db2.gz BCMBDXUCNWEEFD-INIZCTEOSA-N 3 1 261.413 2.254 20 0 CEADMP Cc1ccc(CCC[NH2+]C[C@@H]2CCCN(C)C2)cn1 ZINC000525986389 379689307 /nfs/dbraw/zinc/68/93/07/379689307.db2.gz BCMBDXUCNWEEFD-INIZCTEOSA-N 3 1 261.413 2.254 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000305643372 379722929 /nfs/dbraw/zinc/72/29/29/379722929.db2.gz RDKGPZKVCCNHED-HZPDHXFCSA-N 2 1 277.412 2.209 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000305643372 379722935 /nfs/dbraw/zinc/72/29/35/379722935.db2.gz RDKGPZKVCCNHED-HZPDHXFCSA-N 2 1 277.412 2.209 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]CC3(F)CC3)c2)CCO1 ZINC000527520500 379764247 /nfs/dbraw/zinc/76/42/47/379764247.db2.gz GNXHYACHLDYNNA-CQSZACIVSA-N 2 1 292.398 2.499 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]CC3(F)CC3)c2)CCO1 ZINC000527520500 379764259 /nfs/dbraw/zinc/76/42/59/379764259.db2.gz GNXHYACHLDYNNA-CQSZACIVSA-N 2 1 292.398 2.499 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC[C@H]2CC=CCC2)CC1 ZINC000527987228 379868094 /nfs/dbraw/zinc/86/80/94/379868094.db2.gz RXQNFUCLYVIXDA-HNNXBMFYSA-N 2 1 266.429 2.433 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2COC2)CC[N@@H+]1Cc1ccccc1 ZINC000527822494 379823712 /nfs/dbraw/zinc/82/37/12/379823712.db2.gz WXQTZAUEKRHHRO-YOEHRIQHSA-N 2 1 274.408 2.276 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2COC2)CC[N@H+]1Cc1ccccc1 ZINC000527822494 379823716 /nfs/dbraw/zinc/82/37/16/379823716.db2.gz WXQTZAUEKRHHRO-YOEHRIQHSA-N 2 1 274.408 2.276 20 0 CEADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000528005823 379875484 /nfs/dbraw/zinc/87/54/84/379875484.db2.gz VMIFJCUJVDVZMF-KRWDZBQOSA-N 2 1 299.418 2.030 20 0 CEADMP CN1C(=O)c2ccccc2[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000528005827 379875994 /nfs/dbraw/zinc/87/59/94/379875994.db2.gz VMIFJCUJVDVZMF-QGZVFWFLSA-N 2 1 299.418 2.030 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528763085 380084601 /nfs/dbraw/zinc/08/46/01/380084601.db2.gz MGRDPHLVAWPAGC-ABHRYQDASA-N 2 1 265.401 2.373 20 0 CEADMP Cc1cc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)nc(C)[nH+]1 ZINC000268217427 190386847 /nfs/dbraw/zinc/38/68/47/190386847.db2.gz JBDBTCIZPGSHDY-AWEZNQCLSA-N 2 1 262.401 2.483 20 0 CEADMP Cc1cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)nc(C)[nH+]1 ZINC000268217427 190386848 /nfs/dbraw/zinc/38/68/48/190386848.db2.gz JBDBTCIZPGSHDY-AWEZNQCLSA-N 2 1 262.401 2.483 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)o1 ZINC000333803230 380151268 /nfs/dbraw/zinc/15/12/68/380151268.db2.gz YNTBUIRNBZNCJN-RRFJBIMHSA-N 2 1 263.385 2.383 20 0 CEADMP CCc1cc(N2CCC[N@H+](C(C)C)CC2)nc(C)n1 ZINC000542949801 380325194 /nfs/dbraw/zinc/32/51/94/380325194.db2.gz YHNCETDVRIEJHI-UHFFFAOYSA-N 2 1 262.401 2.268 20 0 CEADMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cnn1C ZINC000544480908 380355393 /nfs/dbraw/zinc/35/53/93/380355393.db2.gz BNOHEPPHWMLRBM-GXTWGEPZSA-N 2 1 264.417 2.254 20 0 CEADMP Cc1c([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cnn1C ZINC000544480908 380355396 /nfs/dbraw/zinc/35/53/96/380355396.db2.gz BNOHEPPHWMLRBM-GXTWGEPZSA-N 2 1 264.417 2.254 20 0 CEADMP Cc1cc(F)cc2c1C[N@@H+](CCc1cncn1C)CC2 ZINC000334554816 380582699 /nfs/dbraw/zinc/58/26/99/380582699.db2.gz NLTVWWFEBMMWEB-UHFFFAOYSA-N 2 1 273.355 2.468 20 0 CEADMP COc1ncc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1Cl ZINC000551517757 380645635 /nfs/dbraw/zinc/64/56/35/380645635.db2.gz ROMWAFZWSZKUAV-SNVBAGLBSA-N 2 1 294.786 2.370 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000552098984 380684786 /nfs/dbraw/zinc/68/47/86/380684786.db2.gz VIUMSCBLBYLEKZ-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000552098984 380684791 /nfs/dbraw/zinc/68/47/91/380684791.db2.gz VIUMSCBLBYLEKZ-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000554071752 380756534 /nfs/dbraw/zinc/75/65/34/380756534.db2.gz ODEURDZKACOETP-HUUCEWRRSA-N 2 1 299.422 2.260 20 0 CEADMP CC(C)[NH2+]CCC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000554302125 380764076 /nfs/dbraw/zinc/76/40/76/380764076.db2.gz AJVLMCBFNPKGCR-OAHLLOKOSA-N 2 1 283.460 2.003 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)ccn1 ZINC000554403452 380767632 /nfs/dbraw/zinc/76/76/32/380767632.db2.gz SLNNZHVHFVUXHI-DYEKYZERSA-N 2 1 263.385 2.224 20 0 CEADMP C[C@@H](CNC(=O)/C=C/c1ncc[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000493144623 380817897 /nfs/dbraw/zinc/81/78/97/380817897.db2.gz FBBRHXUOWDWAAY-VFNNOXKTSA-N 2 1 298.390 2.060 20 0 CEADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccco1 ZINC000288703524 197148964 /nfs/dbraw/zinc/14/89/64/197148964.db2.gz YUDBFNBAVWRGHG-UHFFFAOYSA-N 2 1 289.379 2.295 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289351950 197307948 /nfs/dbraw/zinc/30/79/48/197307948.db2.gz LEADHTSVAPBKJO-BBRMVZONSA-N 2 1 262.397 2.101 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000289351950 197307950 /nfs/dbraw/zinc/30/79/50/197307950.db2.gz LEADHTSVAPBKJO-BBRMVZONSA-N 2 1 262.397 2.101 20 0 CEADMP CCC[NH+]1CCC(N(C)c2cc(C)[nH+]c(C)n2)CC1 ZINC000189289595 542330249 /nfs/dbraw/zinc/33/02/49/542330249.db2.gz NVUSXDPYTQTDJG-UHFFFAOYSA-N 2 1 262.401 2.404 20 0 CEADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000335253222 208035098 /nfs/dbraw/zinc/03/50/98/208035098.db2.gz RSGSPFQVTIASAO-ZDUSSCGKSA-N 2 1 280.437 2.244 20 0 CEADMP Cc1nc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cs1 ZINC000335276558 208084233 /nfs/dbraw/zinc/08/42/33/208084233.db2.gz GCVUHSDBLNMOQB-NSHDSACASA-N 2 1 265.426 2.416 20 0 CEADMP CN(CCC[N@@H+](C)Cc1ccc(Cl)nc1)CC[NH+](C)C ZINC000289426181 197341590 /nfs/dbraw/zinc/34/15/90/197341590.db2.gz NCEGUIGAOQOTLR-UHFFFAOYSA-N 2 1 298.862 2.050 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1nc(C2CC2)cs1 ZINC000575794089 299569688 /nfs/dbraw/zinc/56/96/88/299569688.db2.gz HYKFQORFYZVQLD-WDEREUQCSA-N 2 1 251.399 2.238 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000289350916 197307684 /nfs/dbraw/zinc/30/76/84/197307684.db2.gz HFVXARXRTZJSEF-DLBZAZTESA-N 2 1 284.407 2.227 20 0 CEADMP COCC[C@H]1CCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000337471607 285178333 /nfs/dbraw/zinc/17/83/33/285178333.db2.gz NUTJEENKMYTZLU-CABCVRRESA-N 2 1 252.402 2.043 20 0 CEADMP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414928846 285219312 /nfs/dbraw/zinc/21/93/12/285219312.db2.gz NNLVJMXXMHKBTD-KGLIPLIRSA-N 2 1 256.434 2.415 20 0 CEADMP OC1(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000411402048 285233586 /nfs/dbraw/zinc/23/35/86/285233586.db2.gz RRNPKBHKEOSCQU-GDBMZVCRSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000411402048 285233590 /nfs/dbraw/zinc/23/35/90/285233590.db2.gz RRNPKBHKEOSCQU-GDBMZVCRSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000411402048 285233592 /nfs/dbraw/zinc/23/35/92/285233592.db2.gz RRNPKBHKEOSCQU-GDBMZVCRSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000411402048 285233595 /nfs/dbraw/zinc/23/35/95/285233595.db2.gz RRNPKBHKEOSCQU-GDBMZVCRSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCCC1 ZINC000156119718 285241186 /nfs/dbraw/zinc/24/11/86/285241186.db2.gz SGYDYBASKRNCMI-LSDHHAIUSA-N 2 1 266.429 2.288 20 0 CEADMP O[C@@H]1CCCC[C@@H]1[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000305645578 285311004 /nfs/dbraw/zinc/31/10/04/285311004.db2.gz ANEHOPDDAIZIKO-OWCLPIDISA-N 2 1 266.429 2.240 20 0 CEADMP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360027794 285372517 /nfs/dbraw/zinc/37/25/17/285372517.db2.gz AHRFSTRZXBTEEE-SOUVJXGZSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246436057 394515500 /nfs/dbraw/zinc/51/55/00/394515500.db2.gz CUVAIQIBUVQEPH-HOCLYGCPSA-N 2 1 294.439 2.277 20 0 CEADMP CC(C)OC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246436057 394515501 /nfs/dbraw/zinc/51/55/01/394515501.db2.gz CUVAIQIBUVQEPH-HOCLYGCPSA-N 2 1 294.439 2.277 20 0 CEADMP CC(C)OC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246436057 394515503 /nfs/dbraw/zinc/51/55/03/394515503.db2.gz CUVAIQIBUVQEPH-HOCLYGCPSA-N 2 1 294.439 2.277 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CCO)c1ccccc1 ZINC000305132663 394494706 /nfs/dbraw/zinc/49/47/06/394494706.db2.gz NLMHLFRQVPNSLX-XYVMCAHJSA-N 2 1 290.451 2.471 20 0 CEADMP CC(C)[NH+]1CCC(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000036908340 394496078 /nfs/dbraw/zinc/49/60/78/394496078.db2.gz CUMPQRMUCGLVGT-IJEWVQPXSA-N 2 1 267.461 2.178 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2COC3(CCCCC3)O2)CC[N@H+]1C ZINC000245831952 394505099 /nfs/dbraw/zinc/50/50/99/394505099.db2.gz BWAJCOSVUOCPIM-KFWWJZLASA-N 2 1 282.428 2.135 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000044534909 394506789 /nfs/dbraw/zinc/50/67/89/394506789.db2.gz HJCOHMUJOIIGQJ-KGLIPLIRSA-N 2 1 290.407 2.450 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252870237 394574705 /nfs/dbraw/zinc/57/47/05/394574705.db2.gz SGVGZSRPXSZGSG-RCBQFDQVSA-N 2 1 290.407 2.263 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3C[C@H]3C)CC2)CC1 ZINC000421378507 394517167 /nfs/dbraw/zinc/51/71/67/394517167.db2.gz SXERBPDWAPDSOB-CVEARBPZSA-N 2 1 279.472 2.134 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000246952465 394524329 /nfs/dbraw/zinc/52/43/29/394524329.db2.gz IEYFMTABWVFUMO-CBBWQLFWSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000246952465 394524334 /nfs/dbraw/zinc/52/43/34/394524334.db2.gz IEYFMTABWVFUMO-CBBWQLFWSA-N 2 1 254.418 2.121 20 0 CEADMP COC1(CC[NH2+]C(C)(C)C[NH+]2CCCC2)CCC1 ZINC000308632895 394529035 /nfs/dbraw/zinc/52/90/35/394529035.db2.gz HHCGRFYNRCKQEK-UHFFFAOYSA-N 2 1 254.418 2.410 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000309951357 394533576 /nfs/dbraw/zinc/53/35/76/394533576.db2.gz GHEBWRPPPKGYIR-UHFFFAOYSA-N 2 1 296.415 2.084 20 0 CEADMP COc1cc(F)cc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000312290905 394541642 /nfs/dbraw/zinc/54/16/42/394541642.db2.gz YAIURTBGGFSHAY-UHFFFAOYSA-N 2 1 266.360 2.410 20 0 CEADMP Cc1ccc2[nH+]ccc(N3CC[N@H+](C[C@H](C)O)C[C@H]3C)c2c1 ZINC000248676241 394545262 /nfs/dbraw/zinc/54/52/62/394545262.db2.gz YTZJSYYNDFHABS-CABCVRRESA-N 2 1 299.418 2.435 20 0 CEADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCc2ccccc2C1 ZINC000094010778 394670449 /nfs/dbraw/zinc/67/04/49/394670449.db2.gz HFUNXFCOEMIDCW-KRWDZBQOSA-N 2 1 258.409 2.475 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000257723673 394597000 /nfs/dbraw/zinc/59/70/00/394597000.db2.gz VZXGWSHTPVVLFM-AWEZNQCLSA-N 2 1 265.426 2.335 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000257723673 394597003 /nfs/dbraw/zinc/59/70/03/394597003.db2.gz VZXGWSHTPVVLFM-AWEZNQCLSA-N 2 1 265.426 2.335 20 0 CEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(F)c(F)c1 ZINC000258888723 394598928 /nfs/dbraw/zinc/59/89/28/394598928.db2.gz CKYFSCPLEYLCRB-LLVKDONJSA-N 2 1 254.324 2.396 20 0 CEADMP C[C@@H]1CCC[C@H](C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000262118848 394613813 /nfs/dbraw/zinc/61/38/13/394613813.db2.gz XCNJBGDVSYQFMF-PMPSAXMXSA-N 2 1 295.471 2.132 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCC2(O)CCC2)[C@H]2CCC[C@H]21 ZINC000421854444 394617535 /nfs/dbraw/zinc/61/75/35/394617535.db2.gz KOIDMXULPYCISI-QLFBSQMISA-N 2 1 266.429 2.144 20 0 CEADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000263184168 394627355 /nfs/dbraw/zinc/62/73/55/394627355.db2.gz HCNDOSQKFBQADF-UNEWFSDZSA-N 2 1 293.455 2.027 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2nc(C)ccc2O)C1 ZINC000093692970 394669178 /nfs/dbraw/zinc/66/91/78/394669178.db2.gz HEXVURKINXRXNX-AWEZNQCLSA-N 2 1 277.412 2.259 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2nc(C)ccc2O)C1 ZINC000093692970 394669183 /nfs/dbraw/zinc/66/91/83/394669183.db2.gz HEXVURKINXRXNX-AWEZNQCLSA-N 2 1 277.412 2.259 20 0 CEADMP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(N2CCCC2=O)c1 ZINC000422706049 394729934 /nfs/dbraw/zinc/72/99/34/394729934.db2.gz SSNCLFKFDDHVAT-STQMWFEESA-N 2 1 287.407 2.072 20 0 CEADMP C[C@@H]([NH2+]CCCCNc1ccccn1)c1c[nH+]ccc1N ZINC000422708461 394730828 /nfs/dbraw/zinc/73/08/28/394730828.db2.gz XRJHSOSTSMVPGW-CYBMUJFWSA-N 2 1 285.395 2.432 20 0 CEADMP CCCC[N@@H+](C)CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422708818 394731971 /nfs/dbraw/zinc/73/19/71/394731971.db2.gz JKZVYZHCAZLMJP-HOTGVXAUSA-N 2 1 261.413 2.453 20 0 CEADMP CC[C@@H]([NH2+]Cc1cccc(N(C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000422710835 394733126 /nfs/dbraw/zinc/73/31/26/394733126.db2.gz GEOBRTFCNOGHPE-CVEARBPZSA-N 2 1 261.413 2.373 20 0 CEADMP N[C@@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422710556 394733140 /nfs/dbraw/zinc/73/31/40/394733140.db2.gz GBTRMBFMGIIVNV-CABCVRRESA-N 2 1 253.434 2.112 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422717197 394737134 /nfs/dbraw/zinc/73/71/34/394737134.db2.gz VVSNTXYDSBSTJR-ARFHVFGLSA-N 2 1 267.461 2.229 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422717198 394737204 /nfs/dbraw/zinc/73/72/04/394737204.db2.gz VVSNTXYDSBSTJR-BZUAXINKSA-N 2 1 267.461 2.229 20 0 CEADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422724881 394741387 /nfs/dbraw/zinc/74/13/87/394741387.db2.gz WWTQZMNXBMRYIA-XJKSGUPXSA-N 2 1 295.471 2.001 20 0 CEADMP CCc1oc2ccccc2c1C[N@@H+](C)CCOCC[NH3+] ZINC000357030618 394686524 /nfs/dbraw/zinc/68/65/24/394686524.db2.gz OVIHJTAAVDGOQN-UHFFFAOYSA-N 2 1 276.380 2.402 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000414070424 394693720 /nfs/dbraw/zinc/69/37/20/394693720.db2.gz JWNHCUQXPULBAG-KGLIPLIRSA-N 2 1 279.428 2.341 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000414070424 394693722 /nfs/dbraw/zinc/69/37/22/394693722.db2.gz JWNHCUQXPULBAG-KGLIPLIRSA-N 2 1 279.428 2.341 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000268858189 394700702 /nfs/dbraw/zinc/70/07/02/394700702.db2.gz RLHVMMFYKWAGQL-DOTOQJQBSA-N 2 1 274.408 2.029 20 0 CEADMP Fc1ccc(F)c(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422733289 394746309 /nfs/dbraw/zinc/74/63/09/394746309.db2.gz AVWDKRVQDBLBEC-NUEKZKHPSA-N 2 1 296.361 2.212 20 0 CEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000268942206 394703242 /nfs/dbraw/zinc/70/32/42/394703242.db2.gz AMXAPVCDYGJSOK-BHYGNILZSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000268942206 394703244 /nfs/dbraw/zinc/70/32/44/394703244.db2.gz AMXAPVCDYGJSOK-BHYGNILZSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C[NH3+] ZINC000334819968 394713819 /nfs/dbraw/zinc/71/38/19/394713819.db2.gz KRUUSDYXTHEUQU-DOMZBBRYSA-N 2 1 285.391 2.357 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000422735425 394747551 /nfs/dbraw/zinc/74/75/51/394747551.db2.gz URTPYVLUGOQWSK-HUUCEWRRSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000358329866 394718150 /nfs/dbraw/zinc/71/81/50/394718150.db2.gz PRTCIOLSLWVWEX-AEFFLSMTSA-N 2 1 287.451 2.335 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000358329866 394718152 /nfs/dbraw/zinc/71/81/52/394718152.db2.gz PRTCIOLSLWVWEX-AEFFLSMTSA-N 2 1 287.451 2.335 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422735491 394747574 /nfs/dbraw/zinc/74/75/74/394747574.db2.gz DWVCFENWIDGKLE-KGLIPLIRSA-N 3 1 263.429 2.354 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000414169219 394721379 /nfs/dbraw/zinc/72/13/79/394721379.db2.gz AUYOLTBJMHAZIO-UONOGXRCSA-N 2 1 264.417 2.286 20 0 CEADMP COC(=O)c1ccccc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422638230 394722338 /nfs/dbraw/zinc/72/23/38/394722338.db2.gz PZNZEWBDZJWSBF-IPYPFGDCSA-N 2 1 290.407 2.278 20 0 CEADMP COC(=O)c1ccccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422638230 394722340 /nfs/dbraw/zinc/72/23/40/394722340.db2.gz PZNZEWBDZJWSBF-IPYPFGDCSA-N 2 1 290.407 2.278 20 0 CEADMP CC(C)CN(C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)C(C)C ZINC000422637408 394722545 /nfs/dbraw/zinc/72/25/45/394722545.db2.gz OOXGQOSIMBIZNV-PMPSAXMXSA-N 2 1 297.487 2.185 20 0 CEADMP CC(C)CN(C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)C(C)C ZINC000422637408 394722551 /nfs/dbraw/zinc/72/25/51/394722551.db2.gz OOXGQOSIMBIZNV-PMPSAXMXSA-N 2 1 297.487 2.185 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422736863 394748172 /nfs/dbraw/zinc/74/81/72/394748172.db2.gz HFLPHGINYHCBIB-BZUAXINKSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1CCC[NH+](C)C1 ZINC000414193449 394727448 /nfs/dbraw/zinc/72/74/48/394727448.db2.gz TZKGXZCZMUYBAM-WCVJEAGWSA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414193449 394727450 /nfs/dbraw/zinc/72/74/50/394727450.db2.gz TZKGXZCZMUYBAM-WCVJEAGWSA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414193449 394727452 /nfs/dbraw/zinc/72/74/52/394727452.db2.gz TZKGXZCZMUYBAM-WCVJEAGWSA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414193449 394727454 /nfs/dbraw/zinc/72/74/54/394727454.db2.gz TZKGXZCZMUYBAM-WCVJEAGWSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414193449 394727456 /nfs/dbraw/zinc/72/74/56/394727456.db2.gz TZKGXZCZMUYBAM-WCVJEAGWSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414776786 394750991 /nfs/dbraw/zinc/75/09/91/394750991.db2.gz HSZUSKKWPBIAGN-HUUCEWRRSA-N 2 1 268.445 2.356 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2C2CCOCC2)CC[NH2+]1 ZINC000414759121 394751345 /nfs/dbraw/zinc/75/13/45/394751345.db2.gz NUAKOAKWWQJISF-IJEWVQPXSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000422748073 394756612 /nfs/dbraw/zinc/75/66/12/394756612.db2.gz RTZBZSURCCFALD-LBPRGKRZSA-N 2 1 267.392 2.104 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1cccs1)[NH+](C)C ZINC000422751026 394758503 /nfs/dbraw/zinc/75/85/03/394758503.db2.gz BUUBREZOTLQZPE-RDBSUJKOSA-N 2 1 281.469 2.329 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NCC[N@H+](C)Cc1ccccc1 ZINC000422750466 394758622 /nfs/dbraw/zinc/75/86/22/394758622.db2.gz AYWAHXAKVXOFRP-WBVHZDCISA-N 2 1 275.440 2.096 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NCC[N@@H+](C)Cc1ccccc1 ZINC000422750466 394758625 /nfs/dbraw/zinc/75/86/25/394758625.db2.gz AYWAHXAKVXOFRP-WBVHZDCISA-N 2 1 275.440 2.096 20 0 CEADMP C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422751507 394758954 /nfs/dbraw/zinc/75/89/54/394758954.db2.gz CUOSERRVWZBJMC-NJAFHUGGSA-N 2 1 287.451 2.381 20 0 CEADMP COc1cc2c(c(C[NH2+]C[C@H]3CCC[NH2+]C3)c1)O[C@@H](C)C2 ZINC000414830554 394759006 /nfs/dbraw/zinc/75/90/06/394759006.db2.gz OTIYHDMZQLHLKB-STQMWFEESA-N 2 1 290.407 2.108 20 0 CEADMP COCC1(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)CCC1 ZINC000361311009 394822686 /nfs/dbraw/zinc/82/26/86/394822686.db2.gz VXEGAZGEUYOZBR-OAHLLOKOSA-N 2 1 277.412 2.473 20 0 CEADMP FC1(F)Oc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2O1 ZINC000414835487 394761428 /nfs/dbraw/zinc/76/14/28/394761428.db2.gz UFZDTUXTXDCOAD-FOSCPWQOSA-N 2 1 296.317 2.381 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCN(c2ccccn2)CC1 ZINC000414835184 394761638 /nfs/dbraw/zinc/76/16/38/394761638.db2.gz HGZRLYFWXJHBFP-OAHLLOKOSA-N 2 1 276.428 2.013 20 0 CEADMP Cc1ncsc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414836189 394762307 /nfs/dbraw/zinc/76/23/07/394762307.db2.gz IFVLMQRXZWFBTI-LBPRGKRZSA-N 2 1 253.415 2.449 20 0 CEADMP CC(C)c1ncc(C[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000414838431 394763717 /nfs/dbraw/zinc/76/37/17/394763717.db2.gz WRCGEBIGDANGRN-NSHDSACASA-N 2 1 253.415 2.356 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000414840358 394764467 /nfs/dbraw/zinc/76/44/67/394764467.db2.gz NDZFZPJEKOFGSR-JTQLQIEISA-N 2 1 268.788 2.220 20 0 CEADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414842607 394766091 /nfs/dbraw/zinc/76/60/91/394766091.db2.gz IVCBVRREXCTNMT-ZFWWWQNUSA-N 2 1 289.423 2.308 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422762580 394766869 /nfs/dbraw/zinc/76/68/69/394766869.db2.gz IJENSSWBVMQIPI-OWCLPIDISA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422762580 394766872 /nfs/dbraw/zinc/76/68/72/394766872.db2.gz IJENSSWBVMQIPI-OWCLPIDISA-N 3 1 267.461 2.229 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422762580 394766876 /nfs/dbraw/zinc/76/68/76/394766876.db2.gz IJENSSWBVMQIPI-OWCLPIDISA-N 3 1 267.461 2.229 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H](C)C[C@H](C)[NH3+])CC2)[nH+]1 ZINC000422764355 394767633 /nfs/dbraw/zinc/76/76/33/394767633.db2.gz PYDOVYMJBOSUMW-JSGCOSHPSA-N 3 1 276.428 2.074 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422767419 394770323 /nfs/dbraw/zinc/77/03/23/394770323.db2.gz SBZBESUKKXMDHR-QLFBSQMISA-N 2 1 267.461 2.214 20 0 CEADMP Cc1cc2c(cc1C)[C@H]([NH2+]CC1C[NH2+]C1)CCCO2 ZINC000335551231 394774909 /nfs/dbraw/zinc/77/49/09/394774909.db2.gz CFXVOWVWDYTLAU-OAHLLOKOSA-N 2 1 260.381 2.326 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C12CCC2 ZINC000422775664 394775271 /nfs/dbraw/zinc/77/52/71/394775271.db2.gz BBLDLFZKJPBIIN-AAVRWANBSA-N 2 1 252.402 2.064 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422776907 394776696 /nfs/dbraw/zinc/77/66/96/394776696.db2.gz FFIUNWPXZWGQQE-GVDBMIGSSA-N 3 1 290.455 2.482 20 0 CEADMP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)[NH+](CC)CC ZINC000359803079 394777137 /nfs/dbraw/zinc/77/71/37/394777137.db2.gz USFCWEHUXLYFCX-BZUAXINKSA-N 2 1 297.487 2.438 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000120260182 394777369 /nfs/dbraw/zinc/77/73/69/394777369.db2.gz JDHNJWXQQIAIRV-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)Oc1ccc(F)cc1 ZINC000422779521 394778514 /nfs/dbraw/zinc/77/85/14/394778514.db2.gz BWOOZUOAXKTFFA-HUBLWGQQSA-N 2 1 266.360 2.323 20 0 CEADMP CCC[NH2+]CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000414876285 394782768 /nfs/dbraw/zinc/78/27/68/394782768.db2.gz VQIWZZZDBNYREF-AWEZNQCLSA-N 2 1 252.789 2.396 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000335636643 394784452 /nfs/dbraw/zinc/78/44/52/394784452.db2.gz NKUXPRBPYVWHGU-YOEHRIQHSA-N 2 1 273.424 2.243 20 0 CEADMP COc1cc2c(c(C[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)c1)O[C@H](C)C2 ZINC000414956237 394824131 /nfs/dbraw/zinc/82/41/31/394824131.db2.gz VBFYFMFTJPJFSR-YWPYICTPSA-N 2 1 290.407 2.249 20 0 CEADMP CCOc1c(C[NH2+][C@@H](C)CC[NH3+])c(C)nn1CC(C)C ZINC000414884397 394787405 /nfs/dbraw/zinc/78/74/05/394787405.db2.gz NZBDWYNKIGFZAD-LBPRGKRZSA-N 2 1 282.432 2.073 20 0 CEADMP COc1ccccc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414884194 394787734 /nfs/dbraw/zinc/78/77/34/394787734.db2.gz UTWNFKUQIHXRQF-UHFFFAOYSA-N 2 1 285.391 2.360 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])N1CCC(C)CC1 ZINC000422790019 394787970 /nfs/dbraw/zinc/78/79/70/394787970.db2.gz UMOYLSJZYLJBJW-OAGGEKHMSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000422791964 394789341 /nfs/dbraw/zinc/78/93/41/394789341.db2.gz YWWDSCAKGSTYPM-SWLSCSKDSA-N 2 1 266.360 2.182 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000422791965 394789373 /nfs/dbraw/zinc/78/93/73/394789373.db2.gz YWWDSCAKGSTYPM-WFASDCNBSA-N 2 1 266.360 2.182 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@@H](C)CCCC[NH3+])CC2)[nH+]c1 ZINC000422793458 394790565 /nfs/dbraw/zinc/79/05/65/394790565.db2.gz YEUOXIJSRJDCQP-HNNXBMFYSA-N 3 1 290.455 2.466 20 0 CEADMP CC(C)COCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422794061 394791337 /nfs/dbraw/zinc/79/13/37/394791337.db2.gz YESAWHYZAAKXGX-LBPRGKRZSA-N 2 1 251.374 2.207 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000414899356 394794540 /nfs/dbraw/zinc/79/45/40/394794540.db2.gz FQKAHCHHHBBFOH-WBVHZDCISA-N 3 1 275.440 2.368 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000414899356 394794543 /nfs/dbraw/zinc/79/45/43/394794543.db2.gz FQKAHCHHHBBFOH-WBVHZDCISA-N 3 1 275.440 2.368 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000422843588 394824591 /nfs/dbraw/zinc/82/45/91/394824591.db2.gz IVHKJDCSBSOOED-HUUCEWRRSA-N 2 1 297.512 2.065 20 0 CEADMP COc1ccc2nc(C[NH2+][C@H](C)CC[NH3+])sc2c1 ZINC000414899279 394794966 /nfs/dbraw/zinc/79/49/66/394794966.db2.gz UPRDDFJKGBZFOX-SECBINFHSA-N 2 1 265.382 2.132 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422809742 394801883 /nfs/dbraw/zinc/80/18/83/394801883.db2.gz QKJPYRLNXYWBPQ-IAGOWNOFSA-N 3 1 273.424 2.252 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000414923470 394804964 /nfs/dbraw/zinc/80/49/64/394804964.db2.gz HGSPEQJTDOLRBJ-AHCXZYCDSA-N 2 1 287.451 2.410 20 0 CEADMP Cc1csc(N2CCC([NH2+][C@@H]3C[NH2+]CC[C@@H]3C)CC2)n1 ZINC000414923376 394804992 /nfs/dbraw/zinc/80/49/92/394804992.db2.gz GZGAXAOTJPZVMO-SMDDNHRTSA-N 2 1 294.468 2.008 20 0 CEADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414925036 394805944 /nfs/dbraw/zinc/80/59/44/394805944.db2.gz HNMPCKQDAMLQPN-CYBMUJFWSA-N 2 1 271.364 2.097 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1OC(F)F ZINC000422814545 394806672 /nfs/dbraw/zinc/80/66/72/394806672.db2.gz VIMJSEHWIWXNME-QWRGUYRKSA-N 2 1 286.322 2.266 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000414928206 394806921 /nfs/dbraw/zinc/80/69/21/394806921.db2.gz MQGRWQGATZTYLA-XGWLTEMNSA-N 2 1 274.408 2.140 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414930567 394808238 /nfs/dbraw/zinc/80/82/38/394808238.db2.gz QADYFAARQSHICB-DTWKUNHWSA-N 2 1 289.192 2.456 20 0 CEADMP C[C@@H](CCN[C@@H](C)C1C[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000422817925 394809884 /nfs/dbraw/zinc/80/98/84/394809884.db2.gz FHGMCGFRMYCZBC-GJZGRUSLSA-N 2 1 275.440 2.095 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422844687 394825668 /nfs/dbraw/zinc/82/56/68/394825668.db2.gz MRZCIMOLIWDWDC-RDJZCZTQSA-N 2 1 288.435 2.322 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000361005769 394812868 /nfs/dbraw/zinc/81/28/68/394812868.db2.gz XHYDZOHNLHRWRP-DVOMOZLQSA-N 2 1 290.455 2.117 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000361005769 394812872 /nfs/dbraw/zinc/81/28/72/394812872.db2.gz XHYDZOHNLHRWRP-DVOMOZLQSA-N 2 1 290.455 2.117 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2[NH2+]CCc3ccccc32)[C@H](C)C1 ZINC000414943092 394814494 /nfs/dbraw/zinc/81/44/94/394814494.db2.gz CNAHMRYBSPGQIF-JLSDUUJJSA-N 2 1 287.451 2.193 20 0 CEADMP C[C@H]([NH2+]CCCNc1ccccn1)c1c[nH+]ccc1N ZINC000422827379 394816256 /nfs/dbraw/zinc/81/62/56/394816256.db2.gz DKHBNJOROCGEJY-LBPRGKRZSA-N 2 1 271.368 2.042 20 0 CEADMP C[C@H](CCN[C@H]1CCC[C@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422832503 394818031 /nfs/dbraw/zinc/81/80/31/394818031.db2.gz XTZLJUPQLWBMMH-OIISXLGYSA-N 2 1 275.440 2.366 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)n1-c1ccccc1 ZINC000414951601 394820446 /nfs/dbraw/zinc/82/04/46/394820446.db2.gz HPQPJKGSSNZRMW-SUMWQHHRSA-N 2 1 284.407 2.268 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCO)CC1CCCCC1 ZINC000362590654 394865274 /nfs/dbraw/zinc/86/52/74/394865274.db2.gz JZOFEFRIRHWTHS-MRXNPFEDSA-N 2 1 268.445 2.345 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCO)CC1CCCCC1 ZINC000362590654 394865278 /nfs/dbraw/zinc/86/52/78/394865278.db2.gz JZOFEFRIRHWTHS-MRXNPFEDSA-N 2 1 268.445 2.345 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCO)CC1CCCCC1 ZINC000362590654 394865281 /nfs/dbraw/zinc/86/52/81/394865281.db2.gz JZOFEFRIRHWTHS-MRXNPFEDSA-N 2 1 268.445 2.345 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000129442503 394866541 /nfs/dbraw/zinc/86/65/41/394866541.db2.gz HQYZBDDEBHFDHM-ZFWWWQNUSA-N 2 1 292.423 2.319 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C[C@@H]1OC ZINC000422944118 394867901 /nfs/dbraw/zinc/86/79/01/394867901.db2.gz RQKDNLBWBZHEMZ-DGAVXFQQSA-N 2 1 254.418 2.168 20 0 CEADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc(OC)c1 ZINC000415060152 394868255 /nfs/dbraw/zinc/86/82/55/394868255.db2.gz YDVUTDUGTYAPBF-MRXNPFEDSA-N 2 1 278.396 2.311 20 0 CEADMP COCCOc1ccccc1C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415074383 394875630 /nfs/dbraw/zinc/87/56/30/394875630.db2.gz CLJKZOJBTBRAFZ-GOEBONIOSA-N 2 1 292.423 2.332 20 0 CEADMP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130183536 394882688 /nfs/dbraw/zinc/88/26/88/394882688.db2.gz NXJSNMHYUFBOOF-BFHYXJOUSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000422855212 394831904 /nfs/dbraw/zinc/83/19/04/394831904.db2.gz DSROEFKXPDXVRT-FPCVCCKLSA-N 2 1 267.461 2.499 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422860503 394834522 /nfs/dbraw/zinc/83/45/22/394834522.db2.gz MOZCOUXBJIXSOH-XOKHGSTOSA-N 2 1 273.424 2.453 20 0 CEADMP CCOC(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)OCC ZINC000125137562 394841091 /nfs/dbraw/zinc/84/10/91/394841091.db2.gz AROSGALKUHIMKI-ZBFHGGJFSA-N 2 1 296.455 2.334 20 0 CEADMP CCOC(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OCC ZINC000125137562 394841094 /nfs/dbraw/zinc/84/10/94/394841094.db2.gz AROSGALKUHIMKI-ZBFHGGJFSA-N 2 1 296.455 2.334 20 0 CEADMP CCOC(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)OCC ZINC000125137562 394841096 /nfs/dbraw/zinc/84/10/96/394841096.db2.gz AROSGALKUHIMKI-ZBFHGGJFSA-N 2 1 296.455 2.334 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000125359363 394841898 /nfs/dbraw/zinc/84/18/98/394841898.db2.gz MQNOWWLXRHYZCV-YCPHGPKFSA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000125359363 394841902 /nfs/dbraw/zinc/84/19/02/394841902.db2.gz MQNOWWLXRHYZCV-YCPHGPKFSA-N 2 1 267.461 2.037 20 0 CEADMP COc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1OC(C)C ZINC000415005611 394845047 /nfs/dbraw/zinc/84/50/47/394845047.db2.gz JGGVCLRYXAEKLC-RYUDHWBXSA-N 2 1 266.385 2.308 20 0 CEADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422878401 394846182 /nfs/dbraw/zinc/84/61/82/394846182.db2.gz SXIWXNRWRYEAPK-XNJHUCFUSA-N 2 1 291.483 2.370 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422878401 394846187 /nfs/dbraw/zinc/84/61/87/394846187.db2.gz SXIWXNRWRYEAPK-XNJHUCFUSA-N 2 1 291.483 2.370 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422882045 394847276 /nfs/dbraw/zinc/84/72/76/394847276.db2.gz OVMYPAAQAQMVQE-KBXIAJHMSA-N 3 1 255.450 2.070 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422886770 394850493 /nfs/dbraw/zinc/85/04/93/394850493.db2.gz XNQNAPWEYQNLMT-QLFBSQMISA-N 3 1 255.450 2.071 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000422889698 394851874 /nfs/dbraw/zinc/85/18/74/394851874.db2.gz QFBCSHUCGQUBJC-SOUVJXGZSA-N 3 1 255.450 2.356 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000422889698 394851875 /nfs/dbraw/zinc/85/18/75/394851875.db2.gz QFBCSHUCGQUBJC-SOUVJXGZSA-N 3 1 255.450 2.356 20 0 CEADMP CCc1nc(CC[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)cs1 ZINC000422902753 394856034 /nfs/dbraw/zinc/85/60/34/394856034.db2.gz NKRPBYJUAFMJMU-STQMWFEESA-N 2 1 267.442 2.368 20 0 CEADMP CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422903144 394856314 /nfs/dbraw/zinc/85/63/14/394856314.db2.gz FCIOCFGQRLWPDG-XJKSGUPXSA-N 2 1 290.455 2.374 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cncs1 ZINC000128980374 394856678 /nfs/dbraw/zinc/85/66/78/394856678.db2.gz PQEALVWCDPEPNW-QWRGUYRKSA-N 2 1 251.399 2.278 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cncs1 ZINC000128980374 394856680 /nfs/dbraw/zinc/85/66/80/394856680.db2.gz PQEALVWCDPEPNW-QWRGUYRKSA-N 2 1 251.399 2.278 20 0 CEADMP COC(=O)C1(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000415093964 394887799 /nfs/dbraw/zinc/88/77/99/394887799.db2.gz DACFNMRPTHRHCK-GJZGRUSLSA-N 2 1 288.391 2.023 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccccc1Cn1cccn1 ZINC000415109521 394893333 /nfs/dbraw/zinc/89/33/33/394893333.db2.gz PQLGTQDJHYTRIA-QGZVFWFLSA-N 2 1 286.423 2.394 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000415130309 394900450 /nfs/dbraw/zinc/90/04/50/394900450.db2.gz WWZFPWSBOZGSKZ-UHFFFAOYSA-N 2 1 278.425 2.190 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000415130309 394900453 /nfs/dbraw/zinc/90/04/53/394900453.db2.gz WWZFPWSBOZGSKZ-UHFFFAOYSA-N 2 1 278.425 2.190 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000415135807 394901593 /nfs/dbraw/zinc/90/15/93/394901593.db2.gz QSPPLPWWMMIBLN-UHFFFAOYSA-N 2 1 288.395 2.127 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000415135807 394901596 /nfs/dbraw/zinc/90/15/96/394901596.db2.gz QSPPLPWWMMIBLN-UHFFFAOYSA-N 2 1 288.395 2.127 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000423377724 394906612 /nfs/dbraw/zinc/90/66/12/394906612.db2.gz KGZTWXYKRGFEPJ-MCIONIFRSA-N 2 1 256.434 2.414 20 0 CEADMP CSC[C@H](O)C[N@H+]1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000364484089 394909416 /nfs/dbraw/zinc/90/94/16/394909416.db2.gz FNLGXGMXEXUVDM-UONOGXRCSA-N 2 1 297.468 2.367 20 0 CEADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cnn1C(C)C ZINC000423395802 394913979 /nfs/dbraw/zinc/91/39/79/394913979.db2.gz NOHDIVIUMSCTLA-TYNCELHUSA-N 2 1 264.417 2.421 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423420683 394917834 /nfs/dbraw/zinc/91/78/34/394917834.db2.gz JOWJQWFTIJMJSN-JKJDWNRSSA-N 3 1 267.461 2.070 20 0 CEADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423420683 394917841 /nfs/dbraw/zinc/91/78/41/394917841.db2.gz JOWJQWFTIJMJSN-JKJDWNRSSA-N 2 1 267.461 2.070 20 0 CEADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@]2(COC)CCC[NH2+]2)C1(C)C ZINC000423422860 394919101 /nfs/dbraw/zinc/91/91/01/394919101.db2.gz ZIERLIZYOVZLJE-ZMSDIMECSA-N 2 1 298.471 2.328 20 0 CEADMP CC[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423458365 394925837 /nfs/dbraw/zinc/92/58/37/394925837.db2.gz GTXLBPTVBRAOLY-ARFHVFGLSA-N 2 1 261.413 2.149 20 0 CEADMP CCC[NH2+]CCNC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000423474194 394928220 /nfs/dbraw/zinc/92/82/20/394928220.db2.gz YRXVBDDWNOPTSH-MRXNPFEDSA-N 2 1 291.439 2.013 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCC2 ZINC000423522910 394943538 /nfs/dbraw/zinc/94/35/38/394943538.db2.gz RXMXUMRZBKBKOU-WBVHZDCISA-N 2 1 290.407 2.041 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340227708 394982130 /nfs/dbraw/zinc/98/21/30/394982130.db2.gz CHVXFDKUUWBGEU-UONOGXRCSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C(C)(C)n2cncn2)C1 ZINC000340473869 394986251 /nfs/dbraw/zinc/98/62/51/394986251.db2.gz HOMRSTLGRZHGGY-GJZGRUSLSA-N 2 1 293.459 2.112 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000340514082 394986968 /nfs/dbraw/zinc/98/69/68/394986968.db2.gz GRIXNNLMDYGNOJ-KFWWJZLASA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CS1 ZINC000368466631 394987396 /nfs/dbraw/zinc/98/73/96/394987396.db2.gz RKWYYFOJUICKIU-AJNGGQMLSA-N 2 1 298.496 2.359 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CS1 ZINC000368466631 394987398 /nfs/dbraw/zinc/98/73/98/394987398.db2.gz RKWYYFOJUICKIU-AJNGGQMLSA-N 2 1 298.496 2.359 20 0 CEADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340195823 394980062 /nfs/dbraw/zinc/98/00/62/394980062.db2.gz HIPMDBLOFXZTBZ-SJORKVTESA-N 2 1 275.440 2.363 20 0 CEADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340195823 394980066 /nfs/dbraw/zinc/98/00/66/394980066.db2.gz HIPMDBLOFXZTBZ-SJORKVTESA-N 2 1 275.440 2.363 20 0 CEADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340195823 394980070 /nfs/dbraw/zinc/98/00/70/394980070.db2.gz HIPMDBLOFXZTBZ-SJORKVTESA-N 2 1 275.440 2.363 20 0 CEADMP Cc1noc(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158503269 395046644 /nfs/dbraw/zinc/04/66/44/395046644.db2.gz DKUKRTOOYCFPFC-UKRRQHHQSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1noc(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158503269 395046646 /nfs/dbraw/zinc/04/66/46/395046646.db2.gz DKUKRTOOYCFPFC-UKRRQHHQSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158503269 395046652 /nfs/dbraw/zinc/04/66/52/395046652.db2.gz DKUKRTOOYCFPFC-UKRRQHHQSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158503269 395046656 /nfs/dbraw/zinc/04/66/56/395046656.db2.gz DKUKRTOOYCFPFC-UKRRQHHQSA-N 2 1 263.385 2.208 20 0 CEADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C12CCC2 ZINC000373554916 395063011 /nfs/dbraw/zinc/06/30/11/395063011.db2.gz NLFQSWBSYXTNTA-RRCSTGOVSA-N 2 1 289.423 2.239 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427101056 395092296 /nfs/dbraw/zinc/09/22/96/395092296.db2.gz ARSWRZALHIBEMG-KBMXLJTQSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427101056 395092299 /nfs/dbraw/zinc/09/22/99/395092299.db2.gz ARSWRZALHIBEMG-KBMXLJTQSA-N 2 1 266.429 2.123 20 0 CEADMP FC(F)Oc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427136734 395094424 /nfs/dbraw/zinc/09/44/24/395094424.db2.gz OWOLQQAJDDWKQW-JSGCOSHPSA-N 2 1 282.334 2.472 20 0 CEADMP FC(F)Oc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427136734 395094427 /nfs/dbraw/zinc/09/44/27/395094427.db2.gz OWOLQQAJDDWKQW-JSGCOSHPSA-N 2 1 282.334 2.472 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+]CC2(C)COC2)[C@H]1c1ccccc1 ZINC000375749030 395096990 /nfs/dbraw/zinc/09/69/90/395096990.db2.gz AZBXCPJBJLQBDL-HZPDHXFCSA-N 2 1 274.408 2.306 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423968484 395037959 /nfs/dbraw/zinc/03/79/59/395037959.db2.gz UVIWFPBMNUVCBI-AWEZNQCLSA-N 2 1 292.427 2.030 20 0 CEADMP CCCC[C@H](C)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000343504939 395040498 /nfs/dbraw/zinc/04/04/98/395040498.db2.gz CXFODYZONZOXCI-JYJNAYRXSA-N 2 1 297.487 2.378 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2COc3ccc(F)cc3C2)CC[N@@H+]1C ZINC000290322842 395099412 /nfs/dbraw/zinc/09/94/12/395099412.db2.gz OKKPJKGKUYIVNN-KCPJHIHWSA-N 2 1 278.371 2.202 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2COc3ccc(F)cc3C2)CC[N@H+]1C ZINC000290322842 395099414 /nfs/dbraw/zinc/09/94/14/395099414.db2.gz OKKPJKGKUYIVNN-KCPJHIHWSA-N 2 1 278.371 2.202 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436405569 395113849 /nfs/dbraw/zinc/11/38/49/395113849.db2.gz BWDSMYZFYYVUIV-SQNIBIBYSA-N 2 1 288.435 2.054 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436405569 395113851 /nfs/dbraw/zinc/11/38/51/395113851.db2.gz BWDSMYZFYYVUIV-SQNIBIBYSA-N 2 1 288.435 2.054 20 0 CEADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000376413211 395119627 /nfs/dbraw/zinc/11/96/27/395119627.db2.gz UORXGVPAUYMLOG-ZOFXXKQRSA-N 2 1 296.455 2.033 20 0 CEADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000376413211 395119631 /nfs/dbraw/zinc/11/96/31/395119631.db2.gz UORXGVPAUYMLOG-ZOFXXKQRSA-N 2 1 296.455 2.033 20 0 CEADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCO1 ZINC000346874635 395111915 /nfs/dbraw/zinc/11/19/15/395111915.db2.gz PAECCJWADAYENS-KBUPBQIOSA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)C(C)C ZINC000348122639 395135353 /nfs/dbraw/zinc/13/53/53/395135353.db2.gz KSPFVLRFODUUMT-VXGBXAGGSA-N 2 1 282.350 2.416 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)C(C)C ZINC000348122639 395135356 /nfs/dbraw/zinc/13/53/56/395135356.db2.gz KSPFVLRFODUUMT-VXGBXAGGSA-N 2 1 282.350 2.416 20 0 CEADMP C([NH2+][C@@H]1CCC12CCOCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000377121763 395133847 /nfs/dbraw/zinc/13/38/47/395133847.db2.gz YDGQYTRVRPZFGX-DZGCQCFKSA-N 2 1 264.413 2.020 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCCO1 ZINC000379202377 395161689 /nfs/dbraw/zinc/16/16/89/395161689.db2.gz ZEXFCCUREUKDGU-LJISPDSOSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCCCO1 ZINC000379202377 395161693 /nfs/dbraw/zinc/16/16/93/395161693.db2.gz ZEXFCCUREUKDGU-LJISPDSOSA-N 2 1 252.402 2.160 20 0 CEADMP CCC(C)(C)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351712803 395230247 /nfs/dbraw/zinc/23/02/47/395230247.db2.gz RGKZEQBOBIFLOU-CABCVRRESA-N 2 1 268.445 2.342 20 0 CEADMP CCC(C)(C)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351712803 395230251 /nfs/dbraw/zinc/23/02/51/395230251.db2.gz RGKZEQBOBIFLOU-CABCVRRESA-N 2 1 268.445 2.342 20 0 CEADMP CCC(C)(C)[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351712803 395230254 /nfs/dbraw/zinc/23/02/54/395230254.db2.gz RGKZEQBOBIFLOU-CABCVRRESA-N 2 1 268.445 2.342 20 0 CEADMP CCC(C)(C)[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351712803 395230257 /nfs/dbraw/zinc/23/02/57/395230257.db2.gz RGKZEQBOBIFLOU-CABCVRRESA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[NH2+]1 ZINC000398232042 395230512 /nfs/dbraw/zinc/23/05/12/395230512.db2.gz XDIHJFHQNPEGPL-NXHRZFHOSA-N 2 1 287.451 2.239 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3cn[nH]c3)CC2)[nH+]1 ZINC000438835937 395230553 /nfs/dbraw/zinc/23/05/53/395230553.db2.gz MMYRXNZHXWVMDD-CYBMUJFWSA-N 2 1 285.395 2.433 20 0 CEADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398225768 395231286 /nfs/dbraw/zinc/23/12/86/395231286.db2.gz XUFIWFJEBHTLII-WBTNSWJXSA-N 2 1 275.440 2.222 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000520219783 395238595 /nfs/dbraw/zinc/23/85/95/395238595.db2.gz LKTSSNKCZXQRKM-TXCZRRACSA-N 2 1 276.424 2.223 20 0 CEADMP c1ccc(COC[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000384055895 395189031 /nfs/dbraw/zinc/18/90/31/395189031.db2.gz XJVYHDKAWBJRAJ-DLBZAZTESA-N 2 1 274.408 2.135 20 0 CEADMP C[N@@H+]1CC[C@@]2(CCN(c3cc[nH+]cc3Cl)C2)C1 ZINC000292447432 395195533 /nfs/dbraw/zinc/19/55/33/395195533.db2.gz YWYSEAVOMMJUTR-CYBMUJFWSA-N 2 1 251.761 2.267 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(c3cc[nH+]cc3Cl)C2)C1 ZINC000292447432 395195536 /nfs/dbraw/zinc/19/55/36/395195536.db2.gz YWYSEAVOMMJUTR-CYBMUJFWSA-N 2 1 251.761 2.267 20 0 CEADMP C[N@H+](Cc1ccc2c(n1)CCC2)CC1CC[NH+](C)CC1 ZINC000520750505 395251698 /nfs/dbraw/zinc/25/16/98/395251698.db2.gz PEQIKVSFVKOMOT-UHFFFAOYSA-N 2 1 273.424 2.344 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CNCC1([NH+](C)C)CCC1 ZINC000438348762 395216972 /nfs/dbraw/zinc/21/69/72/395216972.db2.gz YUZUUPBWYKEVNZ-UHFFFAOYSA-N 2 1 299.422 2.150 20 0 CEADMP CCCn1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cn1 ZINC000397298968 395220995 /nfs/dbraw/zinc/22/09/95/395220995.db2.gz CMMHDRQSILLDBF-IPYPFGDCSA-N 2 1 264.417 2.098 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)C[C@@H]1C[NH3+] ZINC000397316578 395223053 /nfs/dbraw/zinc/22/30/53/395223053.db2.gz RFSJCGIMVZAYIL-OWYFMNJBSA-N 2 1 295.471 2.081 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)C[C@@H]1C[NH3+] ZINC000397316578 395223058 /nfs/dbraw/zinc/22/30/58/395223058.db2.gz RFSJCGIMVZAYIL-OWYFMNJBSA-N 2 1 295.471 2.081 20 0 CEADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420287680 395296087 /nfs/dbraw/zinc/29/60/87/395296087.db2.gz IITQFTLUFQPHHP-ZNMIVQPWSA-N 2 1 295.471 2.225 20 0 CEADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420287680 395296090 /nfs/dbraw/zinc/29/60/90/395296090.db2.gz IITQFTLUFQPHHP-ZNMIVQPWSA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000353454339 395298774 /nfs/dbraw/zinc/29/87/74/395298774.db2.gz UVOKSNYXNVABJQ-HOTGVXAUSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1ccnc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000353516760 395300774 /nfs/dbraw/zinc/30/07/74/395300774.db2.gz JUEQESBCFIJWBS-HZPDHXFCSA-N 2 1 291.439 2.278 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000420294385 395301151 /nfs/dbraw/zinc/30/11/51/395301151.db2.gz SPAIXXUOXPXLQL-GDBMZVCRSA-N 2 1 297.487 2.471 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000420294385 395301154 /nfs/dbraw/zinc/30/11/54/395301154.db2.gz SPAIXXUOXPXLQL-GDBMZVCRSA-N 2 1 297.487 2.471 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1(C(=O)OC)CCC1 ZINC000353545324 395302006 /nfs/dbraw/zinc/30/20/06/395302006.db2.gz SHTGBEPQRSMDEQ-ZFWWWQNUSA-N 2 1 294.439 2.182 20 0 CEADMP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)CC1CC1 ZINC000420295638 395302055 /nfs/dbraw/zinc/30/20/55/395302055.db2.gz CINXMTXUCJZACU-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000420300959 395305538 /nfs/dbraw/zinc/30/55/38/395305538.db2.gz IEWPTGPRUVBUGE-HIFRSBDPSA-N 2 1 292.423 2.237 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000420300959 395305542 /nfs/dbraw/zinc/30/55/42/395305542.db2.gz IEWPTGPRUVBUGE-HIFRSBDPSA-N 2 1 292.423 2.237 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353929497 395311166 /nfs/dbraw/zinc/31/11/66/395311166.db2.gz MUUXWYFOHCUNQG-FZKCQIBNSA-N 2 1 266.429 2.408 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cs1 ZINC000420306778 395311273 /nfs/dbraw/zinc/31/12/73/395311273.db2.gz BISYTHIEPANLIU-ZIAGYGMSSA-N 2 1 250.411 2.365 20 0 CEADMP C[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H]1C ZINC000420309443 395312217 /nfs/dbraw/zinc/31/22/17/395312217.db2.gz TXUYOYPNDOGORF-OTRWWLKZSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H]1C ZINC000420309443 395312223 /nfs/dbraw/zinc/31/22/23/395312223.db2.gz TXUYOYPNDOGORF-OTRWWLKZSA-N 2 1 276.424 2.038 20 0 CEADMP COC(=O)CC1(C[N@@H+](CCC[NH3+])CC2CCCC2)CC1 ZINC000420309319 395313186 /nfs/dbraw/zinc/31/31/86/395313186.db2.gz DXZLRXQFLJDDLS-UHFFFAOYSA-N 2 1 282.428 2.171 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000354089330 395314560 /nfs/dbraw/zinc/31/45/60/395314560.db2.gz CQPXJRKIQXMFQD-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000354089330 395314564 /nfs/dbraw/zinc/31/45/64/395314564.db2.gz CQPXJRKIQXMFQD-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000354089330 395314569 /nfs/dbraw/zinc/31/45/69/395314569.db2.gz CQPXJRKIQXMFQD-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP C(c1nc(C2CCCC2)no1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420311312 395315043 /nfs/dbraw/zinc/31/50/43/395315043.db2.gz QVROKCCBSZEZEZ-UHFFFAOYSA-N 2 1 290.411 2.303 20 0 CEADMP C(c1nc(C2CCCC2)no1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420311312 395315048 /nfs/dbraw/zinc/31/50/48/395315048.db2.gz QVROKCCBSZEZEZ-UHFFFAOYSA-N 2 1 290.411 2.303 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420315630 395320393 /nfs/dbraw/zinc/32/03/93/395320393.db2.gz LAHKGLYEROORKS-HOTGVXAUSA-N 3 1 267.461 2.040 20 0 CEADMP CO[C@@H](CC(C)C)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000419319794 395257886 /nfs/dbraw/zinc/25/78/86/395257886.db2.gz ZWGKXBYPKYRGLX-CABCVRRESA-N 2 1 256.434 2.464 20 0 CEADMP CC[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(Cl)cc1 ZINC000420321788 395323305 /nfs/dbraw/zinc/32/33/05/395323305.db2.gz RTTAHKORGPEFLA-UHFFFAOYSA-N 2 1 281.831 2.067 20 0 CEADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc2c(c1)OCO2 ZINC000420320462 395323415 /nfs/dbraw/zinc/32/34/15/395323415.db2.gz QGJGXIKGHHNPGB-CYBMUJFWSA-N 2 1 276.380 2.237 20 0 CEADMP C[C@H]1C[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000352716922 395266625 /nfs/dbraw/zinc/26/66/25/395266625.db2.gz IKYANZFODIHJME-QWHCGFSZSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCc1nc2ccccc2n1C ZINC000420371742 395357117 /nfs/dbraw/zinc/35/71/17/395357117.db2.gz PQFXSOHGELFFMC-IGCXYCKISA-N 2 1 286.423 2.092 20 0 CEADMP CN(C)c1cccc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)c1 ZINC000420375724 395360125 /nfs/dbraw/zinc/36/01/25/395360125.db2.gz PPJHRETXZXBGIL-CQSZACIVSA-N 2 1 261.413 2.184 20 0 CEADMP CC[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)OC ZINC000412974497 395372386 /nfs/dbraw/zinc/37/23/86/395372386.db2.gz BAJKFZDMCBQJPL-GJZGRUSLSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)OC ZINC000412974497 395372390 /nfs/dbraw/zinc/37/23/90/395372390.db2.gz BAJKFZDMCBQJPL-GJZGRUSLSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)OC ZINC000412974497 395372397 /nfs/dbraw/zinc/37/23/97/395372397.db2.gz BAJKFZDMCBQJPL-GJZGRUSLSA-N 2 1 254.418 2.075 20 0 CEADMP CC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435628919 395380335 /nfs/dbraw/zinc/38/03/35/395380335.db2.gz WIRJVJJWSUKRFI-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435628919 395380339 /nfs/dbraw/zinc/38/03/39/395380339.db2.gz WIRJVJJWSUKRFI-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CCCCN(CC)C(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435628124 395380460 /nfs/dbraw/zinc/38/04/60/395380460.db2.gz PTVCUPYEEJVGEC-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCN(CC)C(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435628124 395380463 /nfs/dbraw/zinc/38/04/63/395380463.db2.gz PTVCUPYEEJVGEC-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCOc1ccc(C[N@H+](C)CCC[NH2+]C)cc1OC ZINC000435879942 395393720 /nfs/dbraw/zinc/39/37/20/395393720.db2.gz MOKVEWONNQZSCB-UHFFFAOYSA-N 2 1 266.385 2.135 20 0 CEADMP CCOc1ccc(C[N@@H+](C)CCC[NH2+]C)cc1OC ZINC000435879942 395393723 /nfs/dbraw/zinc/39/37/23/395393723.db2.gz MOKVEWONNQZSCB-UHFFFAOYSA-N 2 1 266.385 2.135 20 0 CEADMP C[NH2+]CCC[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000435879715 395393811 /nfs/dbraw/zinc/39/38/11/395393811.db2.gz LNFRCQYDPVRHOQ-UHFFFAOYSA-N 2 1 274.408 2.499 20 0 CEADMP CC(C)n1nccc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000354509840 395335865 /nfs/dbraw/zinc/33/58/65/395335865.db2.gz LGTUTKDMGLNKLG-KBPBESRZSA-N 2 1 264.417 2.426 20 0 CEADMP COc1cccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420346673 395337622 /nfs/dbraw/zinc/33/76/22/395337622.db2.gz XDMZPXIWFMBACH-GASCZTMLSA-N 2 1 290.407 2.005 20 0 CEADMP c1ccc(OCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420343794 395338463 /nfs/dbraw/zinc/33/84/63/395338463.db2.gz RIGUKQCUBJRNSW-HOTGVXAUSA-N 2 1 274.408 2.387 20 0 CEADMP C[C@H](O)CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000354697690 395338573 /nfs/dbraw/zinc/33/85/73/395338573.db2.gz BEWYNUCIUJWGTL-DZKIICNBSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@H](O)CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000354697690 395338576 /nfs/dbraw/zinc/33/85/76/395338576.db2.gz BEWYNUCIUJWGTL-DZKIICNBSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@H](O)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000354697690 395338578 /nfs/dbraw/zinc/33/85/78/395338578.db2.gz BEWYNUCIUJWGTL-DZKIICNBSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@H](O)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000354697690 395338580 /nfs/dbraw/zinc/33/85/80/395338580.db2.gz BEWYNUCIUJWGTL-DZKIICNBSA-N 2 1 266.429 2.096 20 0 CEADMP COc1cccc2c1CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000420354202 395343015 /nfs/dbraw/zinc/34/30/15/395343015.db2.gz CMPAAJCIFXQNTR-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)c1 ZINC000420357570 395344876 /nfs/dbraw/zinc/34/48/76/395344876.db2.gz IHFSUNHAFSPOLS-SFHVURJKSA-N 2 1 287.451 2.346 20 0 CEADMP CC(C)N(C(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)C1CCCC1 ZINC000420356814 395345098 /nfs/dbraw/zinc/34/50/98/395345098.db2.gz GPLMAHBPKVATOQ-OAHLLOKOSA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@@H](F)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000440707641 395347725 /nfs/dbraw/zinc/34/77/25/395347725.db2.gz VWZLBLUADXOMJG-CYBMUJFWSA-N 2 1 253.365 2.423 20 0 CEADMP CC(=O)c1ccc2c(c1)CC[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420363215 395349772 /nfs/dbraw/zinc/34/97/72/395349772.db2.gz BKNPIDIMIZPKIM-HNNXBMFYSA-N 2 1 286.419 2.289 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000354978495 395351619 /nfs/dbraw/zinc/35/16/19/395351619.db2.gz YHXODLGRVMHMMV-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CC(F)(F)C1 ZINC000529557068 395404327 /nfs/dbraw/zinc/40/43/27/395404327.db2.gz OWYCPKBLKZHLFB-LBPRGKRZSA-N 2 1 289.414 2.036 20 0 CEADMP C[C@H](Nc1[nH+]cnc2[nH]ccc21)C(C)(C)C[NH+](C)C ZINC000444083605 395412610 /nfs/dbraw/zinc/41/26/10/395412610.db2.gz QBOXLTRLGNVVJE-JTQLQIEISA-N 2 1 261.373 2.346 20 0 CEADMP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000355359961 395421400 /nfs/dbraw/zinc/42/14/00/395421400.db2.gz AKIFKEAVIQXNTL-AWEZNQCLSA-N 2 1 287.411 2.215 20 0 CEADMP C=Cn1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000194214705 395428709 /nfs/dbraw/zinc/42/87/09/395428709.db2.gz LCUFSQBDCKEAGV-GJZGRUSLSA-N 2 1 276.428 2.441 20 0 CEADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[NH+](C)C ZINC000529716929 395436839 /nfs/dbraw/zinc/43/68/39/395436839.db2.gz FBOODXGLUSUMQS-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCC[C@H]1O ZINC000444635854 395442124 /nfs/dbraw/zinc/44/21/24/395442124.db2.gz LZCGSRNIFLRSSP-HUUCEWRRSA-N 2 1 254.418 2.098 20 0 CEADMP CC[NH+]1CCC(NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000448033231 395508715 /nfs/dbraw/zinc/50/87/15/395508715.db2.gz YGUWQCOMSABVRE-OAHLLOKOSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC([NH2+]C[C@H]2N(C)CCCC2(C)C)CC1 ZINC000448033231 395508717 /nfs/dbraw/zinc/50/87/17/395508717.db2.gz YGUWQCOMSABVRE-OAHLLOKOSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000448552977 395515199 /nfs/dbraw/zinc/51/51/99/395515199.db2.gz OFTSNZVBSHTYGK-HNNXBMFYSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000448552977 395515201 /nfs/dbraw/zinc/51/52/01/395515201.db2.gz OFTSNZVBSHTYGK-HNNXBMFYSA-N 2 1 279.428 2.455 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H](CO)c1ccccc1 ZINC000566418239 395520936 /nfs/dbraw/zinc/52/09/36/395520936.db2.gz DEQDIGBNXMFFKH-MRXNPFEDSA-N 2 1 273.380 2.018 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000566418239 395520938 /nfs/dbraw/zinc/52/09/38/395520938.db2.gz DEQDIGBNXMFFKH-MRXNPFEDSA-N 2 1 273.380 2.018 20 0 CEADMP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000446838871 395500143 /nfs/dbraw/zinc/50/01/43/395500143.db2.gz MYHOQCWFSFWJGP-QEJZJMRPSA-N 2 1 254.418 2.264 20 0 CEADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000446838871 395500145 /nfs/dbraw/zinc/50/01/45/395500145.db2.gz MYHOQCWFSFWJGP-QEJZJMRPSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1ccc2c(c1)[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)CCC2 ZINC000573598653 395611034 /nfs/dbraw/zinc/61/10/34/395611034.db2.gz DGQZOZBDVZPLPA-AEFFLSMTSA-N 2 1 288.435 2.417 20 0 CEADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)CCC2 ZINC000573598653 395611037 /nfs/dbraw/zinc/61/10/37/395611037.db2.gz DGQZOZBDVZPLPA-AEFFLSMTSA-N 2 1 288.435 2.417 20 0 CEADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)CCC2 ZINC000573598653 395611038 /nfs/dbraw/zinc/61/10/38/395611038.db2.gz DGQZOZBDVZPLPA-AEFFLSMTSA-N 2 1 288.435 2.417 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000573694629 395615790 /nfs/dbraw/zinc/61/57/90/395615790.db2.gz FZYJUZHHHVVGHJ-XJKSGUPXSA-N 2 1 282.403 2.001 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000573694629 395615792 /nfs/dbraw/zinc/61/57/92/395615792.db2.gz FZYJUZHHHVVGHJ-XJKSGUPXSA-N 2 1 282.403 2.001 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000573694629 395615795 /nfs/dbraw/zinc/61/57/95/395615795.db2.gz FZYJUZHHHVVGHJ-XJKSGUPXSA-N 2 1 282.403 2.001 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000573694629 395615797 /nfs/dbraw/zinc/61/57/97/395615797.db2.gz FZYJUZHHHVVGHJ-XJKSGUPXSA-N 2 1 282.403 2.001 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451419851 395616011 /nfs/dbraw/zinc/61/60/11/395616011.db2.gz LZYWKLDANHWSSI-ARFHVFGLSA-N 2 1 268.445 2.344 20 0 CEADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000451423889 395616922 /nfs/dbraw/zinc/61/69/22/395616922.db2.gz RXVYFADISAWPIW-IXDOHACOSA-N 2 1 280.456 2.488 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(-n2cncn2)cc1 ZINC000568446147 395559945 /nfs/dbraw/zinc/55/99/45/395559945.db2.gz GFLBDCVLXXRTJW-WMLDXEAASA-N 2 1 299.422 2.039 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000568446147 395559946 /nfs/dbraw/zinc/55/99/46/395559946.db2.gz GFLBDCVLXXRTJW-WMLDXEAASA-N 2 1 299.422 2.039 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000568446147 395559947 /nfs/dbraw/zinc/55/99/47/395559947.db2.gz GFLBDCVLXXRTJW-WMLDXEAASA-N 2 1 299.422 2.039 20 0 CEADMP CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000451440699 395618678 /nfs/dbraw/zinc/61/86/78/395618678.db2.gz QGDQYKGMWORFQH-UONOGXRCSA-N 2 1 256.434 2.246 20 0 CEADMP CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000451440699 395618679 /nfs/dbraw/zinc/61/86/79/395618679.db2.gz QGDQYKGMWORFQH-UONOGXRCSA-N 2 1 256.434 2.246 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000569449849 395578327 /nfs/dbraw/zinc/57/83/27/395578327.db2.gz PRQMBBVBPNZZAI-CYBMUJFWSA-N 2 1 290.329 2.151 20 0 CEADMP COC[C@]1(C)CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000451184998 395590037 /nfs/dbraw/zinc/59/00/37/395590037.db2.gz BUKAFJDDLKJPJR-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@]1(C)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000451184998 395590039 /nfs/dbraw/zinc/59/00/39/395590039.db2.gz BUKAFJDDLKJPJR-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@]1(C)CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000451184998 395590040 /nfs/dbraw/zinc/59/00/40/395590040.db2.gz BUKAFJDDLKJPJR-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000573970220 395623268 /nfs/dbraw/zinc/62/32/68/395623268.db2.gz BYTVVAXYQIKGDF-TUKIKUTGSA-N 2 1 298.390 2.095 20 0 CEADMP COc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C)O[C@@H](C)C2 ZINC000574381689 395628823 /nfs/dbraw/zinc/62/88/23/395628823.db2.gz CHSGYCRBLCSKTP-SLEUVZQESA-N 2 1 290.407 2.106 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000574544219 395632243 /nfs/dbraw/zinc/63/22/43/395632243.db2.gz AQYOEBDSCOFUDF-XJKSGUPXSA-N 2 1 282.391 2.231 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000574754653 395636550 /nfs/dbraw/zinc/63/65/50/395636550.db2.gz GXNJHNJVGPOZGH-SOUVJXGZSA-N 2 1 298.475 2.066 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccn(C3CCCC3)n2)C1 ZINC000575002339 395643986 /nfs/dbraw/zinc/64/39/86/395643986.db2.gz GGBHHLMIGZKKNR-STQMWFEESA-N 2 1 262.401 2.358 20 0 CEADMP c1cncc([C@@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000575046824 395644766 /nfs/dbraw/zinc/64/47/66/395644766.db2.gz JCUSUNVFCDMXSH-GDBMZVCRSA-N 2 1 259.397 2.261 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000647344601 395707128 /nfs/dbraw/zinc/70/71/28/395707128.db2.gz VINGWCLBHKNDBR-DDBAPUKQSA-N 2 1 288.435 2.346 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647513791 395724552 /nfs/dbraw/zinc/72/45/52/395724552.db2.gz DMSWCVNGBKJNQE-UHFFFAOYSA-N 2 1 290.455 2.438 20 0 CEADMP c1cc2c(c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c1)OCO2 ZINC000647480940 395720467 /nfs/dbraw/zinc/72/04/67/395720467.db2.gz DYQNUZDMCGHPEV-HIFRSBDPSA-N 2 1 288.391 2.379 20 0 CEADMP c1cc2c(c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c1)OCO2 ZINC000647480940 395720469 /nfs/dbraw/zinc/72/04/69/395720469.db2.gz DYQNUZDMCGHPEV-HIFRSBDPSA-N 2 1 288.391 2.379 20 0 CEADMP C[N@@H+](Cc1cccc2cnccc21)C1CC[NH2+]CC1 ZINC000647484077 395720727 /nfs/dbraw/zinc/72/07/27/395720727.db2.gz YSNMYJAPJWPXPY-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)nc1 ZINC000647498585 395722181 /nfs/dbraw/zinc/72/21/81/395722181.db2.gz KTYAAGZIEMFDIY-IUODEOHRSA-N 2 1 263.385 2.040 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)nc1 ZINC000647498585 395722182 /nfs/dbraw/zinc/72/21/82/395722182.db2.gz KTYAAGZIEMFDIY-IUODEOHRSA-N 2 1 263.385 2.040 20 0 CEADMP CC(C)[C@H](C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000647506765 395722992 /nfs/dbraw/zinc/72/29/92/395722992.db2.gz BVQFMCLJKVIYCY-XIRDDKMYSA-N 2 1 276.424 2.474 20 0 CEADMP CC(C)[C@H](C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000647506765 395722994 /nfs/dbraw/zinc/72/29/94/395722994.db2.gz BVQFMCLJKVIYCY-XIRDDKMYSA-N 2 1 276.424 2.474 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000647545813 395732168 /nfs/dbraw/zinc/73/21/68/395732168.db2.gz YOLMKAJWMZAGMD-HUUCEWRRSA-N 2 1 289.423 2.302 20 0 CEADMP Cn1cc(C[NH+]2CCC(C)([NH3+])CC2)c(-c2ccccc2)n1 ZINC000647530928 395727115 /nfs/dbraw/zinc/72/71/15/395727115.db2.gz PISXZVJMLGFRCB-UHFFFAOYSA-N 2 1 284.407 2.400 20 0 CEADMP c1cncc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647544131 395731247 /nfs/dbraw/zinc/73/12/47/395731247.db2.gz XDNLSVTXFRJXLM-HZPDHXFCSA-N 2 1 259.397 2.293 20 0 CEADMP Nc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000647549476 395733514 /nfs/dbraw/zinc/73/35/14/395733514.db2.gz CGYYQCHCADTJHZ-UHFFFAOYSA-N 2 1 296.418 2.248 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000647549478 395733540 /nfs/dbraw/zinc/73/35/40/395733540.db2.gz CRDUAFDOBAVBGN-ARFHVFGLSA-N 2 1 273.424 2.101 20 0 CEADMP [NH3+][C@H]1CCC[C@@H](Nc2[nH+]ccc3cc(F)ccc32)C1 ZINC000647707397 395747365 /nfs/dbraw/zinc/74/73/65/395747365.db2.gz KDPODHRACWGDES-QWHCGFSZSA-N 2 1 259.328 2.478 20 0 CEADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647786345 395754372 /nfs/dbraw/zinc/75/43/72/395754372.db2.gz NBEDMKIJNVSRPJ-YYIAUSFCSA-N 3 1 293.499 2.475 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647786345 395754374 /nfs/dbraw/zinc/75/43/74/395754374.db2.gz NBEDMKIJNVSRPJ-YYIAUSFCSA-N 3 1 293.499 2.475 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647786508 395754416 /nfs/dbraw/zinc/75/44/16/395754416.db2.gz QXVOKFATPOAXAX-JSRQGNBESA-N 3 1 279.472 2.085 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647786508 395754417 /nfs/dbraw/zinc/75/44/17/395754417.db2.gz QXVOKFATPOAXAX-JSRQGNBESA-N 3 1 279.472 2.085 20 0 CEADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+](C)CCC[NH3+] ZINC000647849566 395763255 /nfs/dbraw/zinc/76/32/55/395763255.db2.gz YJBDMNWCMKCRLI-NWDGAFQWSA-N 2 1 297.830 2.186 20 0 CEADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CCC[NH3+] ZINC000647849566 395763257 /nfs/dbraw/zinc/76/32/57/395763257.db2.gz YJBDMNWCMKCRLI-NWDGAFQWSA-N 2 1 297.830 2.186 20 0 CEADMP c1ccc([C@H]2CSCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647874756 395766665 /nfs/dbraw/zinc/76/66/65/395766665.db2.gz VOCHSYCMKWLPIP-DZGCQCFKSA-N 2 1 262.422 2.386 20 0 CEADMP c1ccc([C@H]2CSCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647874756 395766667 /nfs/dbraw/zinc/76/66/67/395766667.db2.gz VOCHSYCMKWLPIP-DZGCQCFKSA-N 2 1 262.422 2.386 20 0 CEADMP C[N@@H+](CCOc1ccccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000647873486 395766925 /nfs/dbraw/zinc/76/69/25/395766925.db2.gz PPYKUULSWSFEGK-GFCCVEGCSA-N 2 1 268.788 2.260 20 0 CEADMP Oc1ccc2c(c1)CC[N@H+](CCC1CC[NH2+]CC1)CC2 ZINC000647882980 395768898 /nfs/dbraw/zinc/76/88/98/395768898.db2.gz VJNVIIXSAQCDLT-UHFFFAOYSA-N 2 1 274.408 2.183 20 0 CEADMP OCCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000647890087 395770122 /nfs/dbraw/zinc/77/01/22/395770122.db2.gz PATYXGLNZYXCND-QAPCUYQASA-N 2 1 288.435 2.358 20 0 CEADMP CCOc1ccccc1OCC[NH+]1CCC(C)([NH3+])CC1 ZINC000647925773 395776291 /nfs/dbraw/zinc/77/62/91/395776291.db2.gz WYTLQNPDQQYALQ-UHFFFAOYSA-N 2 1 278.396 2.277 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000647936716 395779278 /nfs/dbraw/zinc/77/92/78/395779278.db2.gz KHDWPOXNKBRUPN-DOMZBBRYSA-N 2 1 293.386 2.214 20 0 CEADMP CC(C)OCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976758 395793417 /nfs/dbraw/zinc/79/34/17/395793417.db2.gz TVJKXMCFKKBHGS-HUUCEWRRSA-N 2 1 254.418 2.123 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)OCC1CC1 ZINC000647978500 395794222 /nfs/dbraw/zinc/79/42/22/395794222.db2.gz SWGXQAIPDNIMDF-CVEARBPZSA-N 2 1 266.429 2.125 20 0 CEADMP CCCCNC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978349 395794307 /nfs/dbraw/zinc/79/43/07/395794307.db2.gz QFNJRYITEWCAPD-JKSUJKDBSA-N 2 1 295.471 2.004 20 0 CEADMP c1nc2ccccc2n1C[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647989940 395796426 /nfs/dbraw/zinc/79/64/26/395796426.db2.gz GOVRZNJEGJJJPY-HUUCEWRRSA-N 2 1 284.407 2.110 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647989124 395796580 /nfs/dbraw/zinc/79/65/80/395796580.db2.gz NAZKHQIKKPFRJN-HNNXBMFYSA-N 2 1 254.418 2.123 20 0 CEADMP CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000647995252 395798391 /nfs/dbraw/zinc/79/83/91/395798391.db2.gz JFILIDXNYLIICI-HOTGVXAUSA-N 2 1 279.472 2.040 20 0 CEADMP C[N@H+](Cc1ccccc1N1CCCC1)C[C@H]1CC[NH2+]C1 ZINC000649411408 396146455 /nfs/dbraw/zinc/14/64/55/396146455.db2.gz UHUIKJZILIXJTL-HNNXBMFYSA-N 2 1 273.424 2.328 20 0 CEADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000649411626 396146480 /nfs/dbraw/zinc/14/64/80/396146480.db2.gz MAFFDBVXFIMODE-INIZCTEOSA-N 3 1 267.461 2.040 20 0 CEADMP C[NH+](CCCC1CC[NH2+]CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000649411626 396146483 /nfs/dbraw/zinc/14/64/83/396146483.db2.gz MAFFDBVXFIMODE-INIZCTEOSA-N 3 1 267.461 2.040 20 0 CEADMP C[NH+](CCCC1CC[NH2+]CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000649411626 396146485 /nfs/dbraw/zinc/14/64/85/396146485.db2.gz MAFFDBVXFIMODE-INIZCTEOSA-N 3 1 267.461 2.040 20 0 CEADMP CN1CCC[C@@H](C[N@H+](C)CCCC2CC[NH2+]CC2)C1 ZINC000649411626 396146486 /nfs/dbraw/zinc/14/64/86/396146486.db2.gz MAFFDBVXFIMODE-INIZCTEOSA-N 2 1 267.461 2.040 20 0 CEADMP CN1CCC[C@@H](C[N@@H+](C)CCCC2CC[NH2+]CC2)C1 ZINC000649411626 396146488 /nfs/dbraw/zinc/14/64/88/396146488.db2.gz MAFFDBVXFIMODE-INIZCTEOSA-N 2 1 267.461 2.040 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000649412168 396147525 /nfs/dbraw/zinc/14/75/25/396147525.db2.gz QDDMIYAABIZWKJ-BRWVUGGUSA-N 2 1 279.472 2.182 20 0 CEADMP CCC[NH+]1CCC([N@H+](C)CCc2cncc(C)n2)CC1 ZINC000649547269 396184523 /nfs/dbraw/zinc/18/45/23/396184523.db2.gz PXXBRDUIWCDAHR-UHFFFAOYSA-N 2 1 276.428 2.134 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCc2cncc(C)n2)CC1 ZINC000649547269 396184526 /nfs/dbraw/zinc/18/45/26/396184526.db2.gz PXXBRDUIWCDAHR-UHFFFAOYSA-N 2 1 276.428 2.134 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000649822557 396267040 /nfs/dbraw/zinc/26/70/40/396267040.db2.gz JRDAOVBXLMLJCT-CYBMUJFWSA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000649822557 396267041 /nfs/dbraw/zinc/26/70/41/396267041.db2.gz JRDAOVBXLMLJCT-CYBMUJFWSA-N 2 1 263.385 2.225 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000646188247 396310153 /nfs/dbraw/zinc/31/01/53/396310153.db2.gz QEKIEAJGLIZAPW-RBSFLKMASA-N 2 1 298.475 2.066 20 0 CEADMP CCC[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000152914912 289101079 /nfs/dbraw/zinc/10/10/79/289101079.db2.gz JRIDWTSQUFJALL-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP CCC[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000152914912 289101082 /nfs/dbraw/zinc/10/10/82/289101082.db2.gz JRIDWTSQUFJALL-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CO1 ZINC000647171174 396427472 /nfs/dbraw/zinc/42/74/72/396427472.db2.gz BTYRSQPCMHHWRK-RBSFLKMASA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CO1 ZINC000647171535 396428595 /nfs/dbraw/zinc/42/85/95/396428595.db2.gz MZJFJZZWHLUAMN-BARDWOONSA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CO[C@H](C)C2)c1 ZINC000647179856 396431660 /nfs/dbraw/zinc/43/16/60/396431660.db2.gz SHMFJMDASNQDTJ-CJNGLKHVSA-N 2 1 262.397 2.405 20 0 CEADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)C(C)C ZINC000154514163 289148217 /nfs/dbraw/zinc/14/82/17/289148217.db2.gz AAAZDYPSOWYFHQ-INIZCTEOSA-N 2 1 269.477 2.428 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916075 400122312 /nfs/dbraw/zinc/12/23/12/400122312.db2.gz XPDHDIOZFAJGAP-HIFRSBDPSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916075 400122316 /nfs/dbraw/zinc/12/23/16/400122316.db2.gz XPDHDIOZFAJGAP-HIFRSBDPSA-N 2 1 263.385 2.255 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2([C@@H](O)C(C)C)CC2)[C@@H](C)C1 ZINC000344309431 400367063 /nfs/dbraw/zinc/36/70/63/400367063.db2.gz ZIICJYSKAJVTLT-KKUMJFAQSA-N 2 1 268.445 2.103 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2(O)CCC(C)(C)CC2)CC[N@H+]1C ZINC000156118171 289189730 /nfs/dbraw/zinc/18/97/30/289189730.db2.gz XKJRNZZFKPWQNP-KBPBESRZSA-N 2 1 268.445 2.390 20 0 CEADMP COCC1(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000386544516 400526548 /nfs/dbraw/zinc/52/65/48/400526548.db2.gz RWCROLKBUADAQI-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP COCC1(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000386544516 400526552 /nfs/dbraw/zinc/52/65/52/400526552.db2.gz RWCROLKBUADAQI-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP CCC[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)OC ZINC000386423880 400526795 /nfs/dbraw/zinc/52/67/95/400526795.db2.gz KPDIWZCRVDPZKM-DKUMPPAJSA-N 2 1 254.418 2.406 20 0 CEADMP CN(C[C@@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388612693 400533089 /nfs/dbraw/zinc/53/30/89/400533089.db2.gz YGBHWVSDLFRLMQ-MSOLQXFVSA-N 2 1 287.451 2.192 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000393556987 400546169 /nfs/dbraw/zinc/54/61/69/400546169.db2.gz MGZJSFLXLCUUIN-ZNMIVQPWSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000393556987 400546170 /nfs/dbraw/zinc/54/61/70/400546170.db2.gz MGZJSFLXLCUUIN-ZNMIVQPWSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000393556987 400546175 /nfs/dbraw/zinc/54/61/75/400546175.db2.gz MGZJSFLXLCUUIN-ZNMIVQPWSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000650181854 400829630 /nfs/dbraw/zinc/82/96/30/400829630.db2.gz BJYURDJLEUOJCY-UHFFFAOYSA-N 2 1 288.395 2.042 20 0 CEADMP COCC[NH2+]C1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000650704544 400998243 /nfs/dbraw/zinc/99/82/43/400998243.db2.gz GEKYPRGZCGCBCS-UHFFFAOYSA-N 2 1 299.418 2.435 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)n21 ZINC000650709134 400999923 /nfs/dbraw/zinc/99/99/23/400999923.db2.gz FKORBPUKUZPSHK-YOEHRIQHSA-N 2 1 284.407 2.204 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cnc(N(C)C)s2)[C@@H]1CC[NH3+] ZINC000650711625 401001208 /nfs/dbraw/zinc/00/12/08/401001208.db2.gz ZSPHVZVLDRUZBO-DGCLKSJQSA-N 2 1 282.457 2.158 20 0 CEADMP CCO[C@@H]1C[N@@H+](CC(C)(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000650714401 401003889 /nfs/dbraw/zinc/00/38/89/401003889.db2.gz AOLLBZPMYGVNDQ-GDBMZVCRSA-N 2 1 276.424 2.260 20 0 CEADMP C[NH+]1CCC([NH2+]CC[C@@H]2CCc3ccccc3N2)CC1 ZINC000650721119 401011196 /nfs/dbraw/zinc/01/11/96/401011196.db2.gz QWVCAUOBPHBMDO-INIZCTEOSA-N 2 1 273.424 2.487 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cscn2)C1 ZINC000650722058 401011277 /nfs/dbraw/zinc/01/12/77/401011277.db2.gz JVJWQBOVBYLSIK-KWCYVHTRSA-N 2 1 281.425 2.004 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cscn2)C1 ZINC000650722058 401011284 /nfs/dbraw/zinc/01/12/84/401011284.db2.gz JVJWQBOVBYLSIK-KWCYVHTRSA-N 2 1 281.425 2.004 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000650740334 401017030 /nfs/dbraw/zinc/01/70/30/401017030.db2.gz KXOWAGLCQVPFQD-BRWVUGGUSA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000650740334 401017034 /nfs/dbraw/zinc/01/70/34/401017034.db2.gz KXOWAGLCQVPFQD-BRWVUGGUSA-N 3 1 281.488 2.475 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000650740334 401017037 /nfs/dbraw/zinc/01/70/37/401017037.db2.gz KXOWAGLCQVPFQD-BRWVUGGUSA-N 3 1 281.488 2.475 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+]CCC3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC000650762050 401036386 /nfs/dbraw/zinc/03/63/86/401036386.db2.gz RJSXEWKEVJYJTE-MSOLQXFVSA-N 3 1 287.451 2.459 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000359965264 155181162 /nfs/dbraw/zinc/18/11/62/155181162.db2.gz YBFTUPSYPUYICI-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000359965264 155181167 /nfs/dbraw/zinc/18/11/67/155181167.db2.gz YBFTUPSYPUYICI-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000359965264 155181170 /nfs/dbraw/zinc/18/11/70/155181170.db2.gz YBFTUPSYPUYICI-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000651651734 401367586 /nfs/dbraw/zinc/36/75/86/401367586.db2.gz IFANUNJKVCXMBQ-HZPDHXFCSA-N 2 1 296.418 2.140 20 0 CEADMP CC[NH+]1CCC(NCCC[N@@H+](C)CC(C)C)CC1 ZINC000651866144 401407010 /nfs/dbraw/zinc/40/70/10/401407010.db2.gz WUKOKQKGPRFLNB-UHFFFAOYSA-N 2 1 255.450 2.038 20 0 CEADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H](CO)CCF ZINC000652017881 401434028 /nfs/dbraw/zinc/43/40/28/401434028.db2.gz FMIKYDLGYDUAGZ-INIZCTEOSA-N 2 1 296.430 2.455 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H](CO)CCF ZINC000652017881 401434031 /nfs/dbraw/zinc/43/40/31/401434031.db2.gz FMIKYDLGYDUAGZ-INIZCTEOSA-N 2 1 296.430 2.455 20 0 CEADMP C[C@@]1(c2cccc(F)c2)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000652350310 401491460 /nfs/dbraw/zinc/49/14/60/401491460.db2.gz RJZLNFIXSVIYCT-CZUORRHYSA-N 2 1 262.372 2.399 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352328 401492438 /nfs/dbraw/zinc/49/24/38/401492438.db2.gz DPIFJDZYOUIJRN-KSSFIOAISA-N 2 1 298.434 2.177 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc2c(s1)CCC2 ZINC000360239111 155249237 /nfs/dbraw/zinc/24/92/37/155249237.db2.gz AOEFLQBQIDAKGN-OCCSQVGLSA-N 2 1 294.464 2.344 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnc(C)nc2C)C1 ZINC000360418008 155294998 /nfs/dbraw/zinc/29/49/98/155294998.db2.gz WJXSWMSJFJYHOT-BXUZGUMPSA-N 2 1 262.401 2.086 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnc(C)nc2C)C1 ZINC000360418008 155294999 /nfs/dbraw/zinc/29/49/99/155294999.db2.gz WJXSWMSJFJYHOT-BXUZGUMPSA-N 2 1 262.401 2.086 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)o1 ZINC000268911014 292246578 /nfs/dbraw/zinc/24/65/78/292246578.db2.gz MVORMSPMQITKOU-LSDHHAIUSA-N 2 1 280.412 2.476 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360542656 155324766 /nfs/dbraw/zinc/32/47/66/155324766.db2.gz DFRBQPYXTWZJGI-QGZVFWFLSA-N 2 1 274.408 2.313 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC[NH2+]C2)C12CCC2 ZINC000346974394 286333162 /nfs/dbraw/zinc/33/31/62/286333162.db2.gz LMQOUKAPFKWLMA-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP C(CN1CCC[N@H+](C2CC2)CC1)C[NH+]1CCCCC1 ZINC000188982893 153073103 /nfs/dbraw/zinc/07/31/03/153073103.db2.gz ULMMPQCKSZTOSQ-UHFFFAOYSA-N 2 1 265.445 2.033 20 0 CEADMP CCOC1CC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000189248615 153087114 /nfs/dbraw/zinc/08/71/14/153087114.db2.gz IMENCXNKUANYGC-FEWQNLEASA-N 2 1 254.418 2.264 20 0 CEADMP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC000189425588 153094349 /nfs/dbraw/zinc/09/43/49/153094349.db2.gz PNGNNAZNRUYTIS-QWHCGFSZSA-N 2 1 294.361 2.108 20 0 CEADMP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC000189425588 153094352 /nfs/dbraw/zinc/09/43/52/153094352.db2.gz PNGNNAZNRUYTIS-QWHCGFSZSA-N 2 1 294.361 2.108 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)C2CCCCC2)CC[N@@H+]1C ZINC000190633360 153137968 /nfs/dbraw/zinc/13/79/68/153137968.db2.gz FGVAFCYKACXKGU-BMFZPTHFSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)C2CCCCC2)CC[N@H+]1C ZINC000190633360 153137971 /nfs/dbraw/zinc/13/79/71/153137971.db2.gz FGVAFCYKACXKGU-BMFZPTHFSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)C2CCCCC2)CC[NH+]1C ZINC000190633360 153137973 /nfs/dbraw/zinc/13/79/73/153137973.db2.gz FGVAFCYKACXKGU-BMFZPTHFSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)C2CCCCC2)CC[NH+]1C ZINC000190633360 153137976 /nfs/dbraw/zinc/13/79/76/153137976.db2.gz FGVAFCYKACXKGU-BMFZPTHFSA-N 2 1 268.445 2.342 20 0 CEADMP CCN(C)c1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cn1 ZINC000190667216 153139780 /nfs/dbraw/zinc/13/97/80/153139780.db2.gz YUNXFEWYDPHVNI-UHFFFAOYSA-N 2 1 278.444 2.215 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000191407869 153171113 /nfs/dbraw/zinc/17/11/13/153171113.db2.gz WNDMXFSUZKQATJ-MRXNPFEDSA-N 2 1 267.461 2.277 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(n2ccnc2)CC1 ZINC000191537363 153175274 /nfs/dbraw/zinc/17/52/74/153175274.db2.gz DQBNRXDPQZJFKF-UHFFFAOYSA-N 2 1 264.417 2.252 20 0 CEADMP Cc1nccn1C[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192823956 153218549 /nfs/dbraw/zinc/21/85/49/153218549.db2.gz IYJIYTHECNOSHR-WWTUQBGBSA-N 2 1 276.428 2.042 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192823956 153218555 /nfs/dbraw/zinc/21/85/55/153218555.db2.gz IYJIYTHECNOSHR-WWTUQBGBSA-N 3 1 276.428 2.042 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192823956 153218558 /nfs/dbraw/zinc/21/85/58/153218558.db2.gz IYJIYTHECNOSHR-WWTUQBGBSA-N 3 1 276.428 2.042 20 0 CEADMP Cc1ccccc1[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192858030 153219982 /nfs/dbraw/zinc/21/99/82/153219982.db2.gz RYJNETRPIWOQNL-BTFYYFJDSA-N 2 1 274.408 2.243 20 0 CEADMP Cn1nccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192920416 153225557 /nfs/dbraw/zinc/22/55/57/153225557.db2.gz LLEXCDARBFQQGR-MRXNPFEDSA-N 2 1 284.407 2.032 20 0 CEADMP Cn1nccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192920416 153225559 /nfs/dbraw/zinc/22/55/59/153225559.db2.gz LLEXCDARBFQQGR-MRXNPFEDSA-N 2 1 284.407 2.032 20 0 CEADMP Cc1ccccc1CCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193646743 153236415 /nfs/dbraw/zinc/23/64/15/153236415.db2.gz KBEGBOKXTMYGSW-CALCHBBNSA-N 2 1 258.409 2.421 20 0 CEADMP Cc1ccccc1CCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193646743 153236417 /nfs/dbraw/zinc/23/64/17/153236417.db2.gz KBEGBOKXTMYGSW-CALCHBBNSA-N 2 1 258.409 2.421 20 0 CEADMP Cc1ccccc1CCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193646743 153236420 /nfs/dbraw/zinc/23/64/20/153236420.db2.gz KBEGBOKXTMYGSW-CALCHBBNSA-N 2 1 258.409 2.421 20 0 CEADMP CSC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000193803028 153241893 /nfs/dbraw/zinc/24/18/93/153241893.db2.gz LVEPKSAFUSCKFG-YHWZYXNKSA-N 2 1 254.443 2.487 20 0 CEADMP COCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000229265276 153372562 /nfs/dbraw/zinc/37/25/62/153372562.db2.gz UZXSXZOLROTZPD-XJKSGUPXSA-N 2 1 262.397 2.263 20 0 CEADMP COc1ccc([C@H](CO)[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414707220 286373827 /nfs/dbraw/zinc/37/38/27/286373827.db2.gz YQBZYTDJFGQCEB-ZQIUZPCESA-N 2 1 292.423 2.049 20 0 CEADMP C[C@H]1C[N@@H+](CCOCC[NH3+])CC[C@H]1c1ccccc1 ZINC000357078641 154372292 /nfs/dbraw/zinc/37/22/92/154372292.db2.gz LQYTVPWIASCYDC-GOEBONIOSA-N 2 1 262.397 2.087 20 0 CEADMP CC(C)n1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000357082927 154377156 /nfs/dbraw/zinc/37/71/56/154377156.db2.gz PRTAYJGZQAQQOC-OAHLLOKOSA-N 2 1 276.428 2.286 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC(=O)NC2)cc1 ZINC000358101398 154468829 /nfs/dbraw/zinc/46/88/29/154468829.db2.gz UMNXSLZWSJEFOL-WFASDCNBSA-N 2 1 298.390 2.110 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000359555957 155054252 /nfs/dbraw/zinc/05/42/52/155054252.db2.gz LIGPIQUAMQAMRY-ZIAGYGMSSA-N 2 1 295.427 2.167 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)cn1 ZINC000359697632 155113870 /nfs/dbraw/zinc/11/38/70/155113870.db2.gz SYUFOYFRUWOYEW-MRXNPFEDSA-N 2 1 290.455 2.359 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)cn1 ZINC000359697632 155113877 /nfs/dbraw/zinc/11/38/77/155113877.db2.gz SYUFOYFRUWOYEW-MRXNPFEDSA-N 2 1 290.455 2.359 20 0 CEADMP c1cc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)ccn1 ZINC000363260439 156020049 /nfs/dbraw/zinc/02/00/49/156020049.db2.gz WGACAYNAYHCVCY-ZACQAIPSSA-N 2 1 271.408 2.040 20 0 CEADMP c1cc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)ccn1 ZINC000363260439 156020053 /nfs/dbraw/zinc/02/00/53/156020053.db2.gz WGACAYNAYHCVCY-ZACQAIPSSA-N 2 1 271.408 2.040 20 0 CEADMP c1cc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)ccn1 ZINC000363260439 156020061 /nfs/dbraw/zinc/02/00/61/156020061.db2.gz WGACAYNAYHCVCY-ZACQAIPSSA-N 2 1 271.408 2.040 20 0 CEADMP CCCCOC(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363559558 156027512 /nfs/dbraw/zinc/02/75/12/156027512.db2.gz FOPAGQXNZOZZKP-PMPSAXMXSA-N 2 1 294.439 2.136 20 0 CEADMP CCCCOC(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363559558 156027514 /nfs/dbraw/zinc/02/75/14/156027514.db2.gz FOPAGQXNZOZZKP-PMPSAXMXSA-N 2 1 294.439 2.136 20 0 CEADMP CCCCOC(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363559558 156027516 /nfs/dbraw/zinc/02/75/16/156027516.db2.gz FOPAGQXNZOZZKP-PMPSAXMXSA-N 2 1 294.439 2.136 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1(C)C ZINC000363951478 156053936 /nfs/dbraw/zinc/05/39/36/156053936.db2.gz HCSHJNWTIUBCPZ-XUWVNRHRSA-N 2 1 296.455 2.031 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1(C)C ZINC000363951478 156053937 /nfs/dbraw/zinc/05/39/37/156053937.db2.gz HCSHJNWTIUBCPZ-XUWVNRHRSA-N 2 1 296.455 2.031 20 0 CEADMP CC1CC[NH+](CC2CC[NH+](Cc3cncnc3)CC2)CC1 ZINC000367227923 156150534 /nfs/dbraw/zinc/15/05/34/156150534.db2.gz BCXCMORMVKXHDF-UHFFFAOYSA-N 2 1 288.439 2.421 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccsc2)[C@H]2CCC[C@@H]21 ZINC000367611631 156215655 /nfs/dbraw/zinc/21/56/55/156215655.db2.gz CLLDDURPGXFUMS-UGUYLWEFSA-N 2 1 294.464 2.418 20 0 CEADMP Cc1c[nH]nc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367940874 156261946 /nfs/dbraw/zinc/26/19/46/156261946.db2.gz DXFZRMZNSONQCP-UHFFFAOYSA-N 2 1 299.422 2.462 20 0 CEADMP Cc1cn[nH]c1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367940874 156261949 /nfs/dbraw/zinc/26/19/49/156261949.db2.gz DXFZRMZNSONQCP-UHFFFAOYSA-N 2 1 299.422 2.462 20 0 CEADMP Cc1cn[nH]c1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367940874 156261955 /nfs/dbraw/zinc/26/19/55/156261955.db2.gz DXFZRMZNSONQCP-UHFFFAOYSA-N 2 1 299.422 2.462 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc2c(c1)OCO2 ZINC000368106024 156288622 /nfs/dbraw/zinc/28/86/22/156288622.db2.gz ZVXXQWAJUWAHCE-ZYHUDNBSSA-N 2 1 285.347 2.347 20 0 CEADMP CCCCOCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000368561707 156364411 /nfs/dbraw/zinc/36/44/11/156364411.db2.gz AYDOBZINQUEYGN-IXDOHACOSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@H](O)c1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000368575216 156367473 /nfs/dbraw/zinc/36/74/73/156367473.db2.gz ISKIUUPZQORPOV-WODVXLOZSA-N 2 1 295.452 2.301 20 0 CEADMP C[C@H](O)c1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC000368575216 156367474 /nfs/dbraw/zinc/36/74/74/156367474.db2.gz ISKIUUPZQORPOV-WODVXLOZSA-N 2 1 295.452 2.301 20 0 CEADMP CCn1nccc1CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000374772830 157013406 /nfs/dbraw/zinc/01/34/06/157013406.db2.gz BZAYQGZHCRHSOA-INIZCTEOSA-N 2 1 290.455 2.396 20 0 CEADMP C[C@H]([NH2+]Cc1cnn(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374895397 157027385 /nfs/dbraw/zinc/02/73/85/157027385.db2.gz MWCTUSJDWXJCGD-YJBOKZPZSA-N 2 1 298.434 2.420 20 0 CEADMP Cc1cnn(C)c1C[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000375793514 157146697 /nfs/dbraw/zinc/14/66/97/157146697.db2.gz SYBYRTSBXSJSLB-UHFFFAOYSA-N 2 1 299.422 2.191 20 0 CEADMP C[N@@H+](CCn1cccn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376167672 157192663 /nfs/dbraw/zinc/19/26/63/157192663.db2.gz SEAXYGPMFRCKIU-UHFFFAOYSA-N 2 1 299.422 2.127 20 0 CEADMP Cn1nccc1[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000376404533 157217283 /nfs/dbraw/zinc/21/72/83/157217283.db2.gz AGVFCSNBZPIHDT-INIZCTEOSA-N 2 1 290.455 2.476 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCCCCO ZINC000376549369 157245928 /nfs/dbraw/zinc/24/59/28/157245928.db2.gz XGZFYIANAPNKCM-ZACQAIPSSA-N 2 1 298.471 2.018 20 0 CEADMP COC(=O)CC1([NH2+]CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC000534315530 298173049 /nfs/dbraw/zinc/17/30/49/298173049.db2.gz SELUBEVYJAEIJC-AWEZNQCLSA-N 2 1 282.428 2.326 20 0 CEADMP [NH3+]CCCCCCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000167716161 162360091 /nfs/dbraw/zinc/36/00/91/162360091.db2.gz CDSOHHHLJKWYMN-AWEZNQCLSA-N 2 1 281.444 2.029 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168649904 162369443 /nfs/dbraw/zinc/36/94/43/162369443.db2.gz KIXSMXRGOFTEPP-ZIAGYGMSSA-N 2 1 278.396 2.133 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCOC1 ZINC000356839637 287022836 /nfs/dbraw/zinc/02/28/36/287022836.db2.gz JAKGCMLEGFZMJR-TWMKSMIVSA-N 2 1 298.471 2.281 20 0 CEADMP CC[C@@H]1C[NH+](CCCCC[N@H+]2CCO[C@@H](CC)C2)CCO1 ZINC000172649527 165062967 /nfs/dbraw/zinc/06/29/67/165062967.db2.gz VDTHDEMOHZTDNP-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CC[C@@H]1C[N@H+](CCCCC[NH+]2CCO[C@@H](CC)C2)CCO1 ZINC000172649527 165062969 /nfs/dbraw/zinc/06/29/69/165062969.db2.gz VDTHDEMOHZTDNP-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCCC[NH+]2CCO[C@@H](CC)C2)CCO1 ZINC000172649527 165062971 /nfs/dbraw/zinc/06/29/71/165062971.db2.gz VDTHDEMOHZTDNP-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP Cc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cn1 ZINC000560603789 298657185 /nfs/dbraw/zinc/65/71/85/298657185.db2.gz CCSKZGMAEOQUJC-UHFFFAOYSA-N 2 1 259.397 2.149 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOCC(F)(F)F)C1 ZINC000173890901 165088615 /nfs/dbraw/zinc/08/86/15/165088615.db2.gz QMWFALADKISXJF-LBPRGKRZSA-N 2 1 282.350 2.229 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOCC(F)(F)F)C1 ZINC000173890901 165088620 /nfs/dbraw/zinc/08/86/20/165088620.db2.gz QMWFALADKISXJF-LBPRGKRZSA-N 2 1 282.350 2.229 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000173890901 165088623 /nfs/dbraw/zinc/08/86/23/165088623.db2.gz QMWFALADKISXJF-LBPRGKRZSA-N 2 1 282.350 2.229 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(C)nn(C)c2C)C1 ZINC000174213093 165097330 /nfs/dbraw/zinc/09/73/30/165097330.db2.gz FYNAVKKSHLTTQN-HNNXBMFYSA-N 2 1 278.444 2.201 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C)nn(C)c2C)C1 ZINC000174213093 165097334 /nfs/dbraw/zinc/09/73/34/165097334.db2.gz FYNAVKKSHLTTQN-HNNXBMFYSA-N 2 1 278.444 2.201 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)NC2CCCC2)C1 ZINC000176284084 165161062 /nfs/dbraw/zinc/16/10/62/165161062.db2.gz ZFNIJZBCJZRNLR-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000176284084 165161067 /nfs/dbraw/zinc/16/10/67/165161067.db2.gz ZFNIJZBCJZRNLR-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000176284084 165161074 /nfs/dbraw/zinc/16/10/74/165161074.db2.gz ZFNIJZBCJZRNLR-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOCCC(C)C)C1 ZINC000177839620 165208775 /nfs/dbraw/zinc/20/87/75/165208775.db2.gz KKTNGPXPELUOTF-HNNXBMFYSA-N 2 1 256.434 2.323 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOCCC(C)C)C1 ZINC000177839620 165208778 /nfs/dbraw/zinc/20/87/78/165208778.db2.gz KKTNGPXPELUOTF-HNNXBMFYSA-N 2 1 256.434 2.323 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOCCC(C)C)C1 ZINC000177839620 165208781 /nfs/dbraw/zinc/20/87/81/165208781.db2.gz KKTNGPXPELUOTF-HNNXBMFYSA-N 2 1 256.434 2.323 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOCCC(C)C)C1 ZINC000177839620 165208783 /nfs/dbraw/zinc/20/87/83/165208783.db2.gz KKTNGPXPELUOTF-HNNXBMFYSA-N 2 1 256.434 2.323 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2nccs2)CC1 ZINC000178443577 165241495 /nfs/dbraw/zinc/24/14/95/165241495.db2.gz IROUKYHOTNGMKV-CQSZACIVSA-N 2 1 294.468 2.140 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2nccs2)CC1 ZINC000178443577 165241496 /nfs/dbraw/zinc/24/14/96/165241496.db2.gz IROUKYHOTNGMKV-CQSZACIVSA-N 2 1 294.468 2.140 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(c2nccs2)CC1 ZINC000178443577 165241497 /nfs/dbraw/zinc/24/14/97/165241497.db2.gz IROUKYHOTNGMKV-CQSZACIVSA-N 2 1 294.468 2.140 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(c2nccs2)CC1 ZINC000178443577 165241498 /nfs/dbraw/zinc/24/14/98/165241498.db2.gz IROUKYHOTNGMKV-CQSZACIVSA-N 2 1 294.468 2.140 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H](NCc2cc(C)on2)[C@H](C)C1 ZINC000178617377 165252228 /nfs/dbraw/zinc/25/22/28/165252228.db2.gz GHITUKANJOJPCO-CZUORRHYSA-N 2 1 295.427 2.210 20 0 CEADMP COC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C(C)C ZINC000178704693 165255766 /nfs/dbraw/zinc/25/57/66/165255766.db2.gz ZRQSQDSWCWJZEI-OCCSQVGLSA-N 2 1 253.390 2.088 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000178975608 165267402 /nfs/dbraw/zinc/26/74/02/165267402.db2.gz VHUYHYFCHYTWBS-UONOGXRCSA-N 2 1 254.443 2.346 20 0 CEADMP c1cc([C@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n[nH]1 ZINC000179267958 165274934 /nfs/dbraw/zinc/27/49/34/165274934.db2.gz LLUPFMBNVZKFMN-AWEZNQCLSA-N 2 1 262.401 2.075 20 0 CEADMP c1cc([C@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)n[nH]1 ZINC000179267958 165274939 /nfs/dbraw/zinc/27/49/39/165274939.db2.gz LLUPFMBNVZKFMN-AWEZNQCLSA-N 2 1 262.401 2.075 20 0 CEADMP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261657060 287129055 /nfs/dbraw/zinc/12/90/55/287129055.db2.gz KECBOTVFZSXBSI-STQMWFEESA-N 2 1 295.377 2.005 20 0 CEADMP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261657060 287129057 /nfs/dbraw/zinc/12/90/57/287129057.db2.gz KECBOTVFZSXBSI-STQMWFEESA-N 2 1 295.377 2.005 20 0 CEADMP FC(F)Oc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000284313175 196027894 /nfs/dbraw/zinc/02/78/94/196027894.db2.gz JNAAORBDSQCXHR-CHWSQXEVSA-N 2 1 297.349 2.399 20 0 CEADMP FC(F)Oc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000284313175 196027895 /nfs/dbraw/zinc/02/78/95/196027895.db2.gz JNAAORBDSQCXHR-CHWSQXEVSA-N 2 1 297.349 2.399 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000020248455 171102300 /nfs/dbraw/zinc/10/23/00/171102300.db2.gz KTOVUUVYLHNVES-AWEZNQCLSA-N 2 1 255.365 2.406 20 0 CEADMP COc1cccc(OC)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000285482679 196298540 /nfs/dbraw/zinc/29/85/40/196298540.db2.gz ORIORFFORCYQPP-UHFFFAOYSA-N 2 1 289.379 2.389 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000037267024 173077147 /nfs/dbraw/zinc/07/71/47/173077147.db2.gz DXRITPMMYBEYAO-ZDUSSCGKSA-N 2 1 292.423 2.319 20 0 CEADMP CCC[N@H+](CCC[NH3+])[C@H](C)C(=O)Nc1ccccc1 ZINC000037299552 173104317 /nfs/dbraw/zinc/10/43/17/173104317.db2.gz WLWGRXIFKJABGM-CYBMUJFWSA-N 2 1 263.385 2.074 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@H](C)C(=O)Nc1ccccc1 ZINC000037299552 173104318 /nfs/dbraw/zinc/10/43/18/173104318.db2.gz WLWGRXIFKJABGM-CYBMUJFWSA-N 2 1 263.385 2.074 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNC2CC[NH+](C(C)C)CC2)C1 ZINC000040620926 174354905 /nfs/dbraw/zinc/35/49/05/174354905.db2.gz VYWLZEPNHWHFNE-HNNXBMFYSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000040620926 174354907 /nfs/dbraw/zinc/35/49/07/174354907.db2.gz VYWLZEPNHWHFNE-HNNXBMFYSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000040620926 174354908 /nfs/dbraw/zinc/35/49/08/174354908.db2.gz VYWLZEPNHWHFNE-HNNXBMFYSA-N 3 1 267.461 2.179 20 0 CEADMP C[N@@H+](CCOc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746877 174392057 /nfs/dbraw/zinc/39/20/57/174392057.db2.gz ROODGQCXMPWNBP-PBWFPOADSA-N 2 1 278.371 2.419 20 0 CEADMP CC[N@@H+](CCCC1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000402624853 414757931 /nfs/dbraw/zinc/75/79/31/414757931.db2.gz WWCTZSVWDPRDCH-HNNXBMFYSA-N 2 1 254.418 2.267 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000070356989 414771646 /nfs/dbraw/zinc/77/16/46/414771646.db2.gz DINJDUHFMGLRFJ-STQMWFEESA-N 2 1 252.402 2.018 20 0 CEADMP Cc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404365948 414781591 /nfs/dbraw/zinc/78/15/91/414781591.db2.gz HHRWWZCPKXMIOS-GDBMZVCRSA-N 2 1 289.423 2.383 20 0 CEADMP Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404365948 414781598 /nfs/dbraw/zinc/78/15/98/414781598.db2.gz HHRWWZCPKXMIOS-GDBMZVCRSA-N 2 1 289.423 2.383 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000121301021 414784706 /nfs/dbraw/zinc/78/47/06/414784706.db2.gz KALAZFXLWJPOBA-JONQDZQNSA-N 2 1 278.440 2.266 20 0 CEADMP CC(C)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660371254 414787327 /nfs/dbraw/zinc/78/73/27/414787327.db2.gz OWQKLLWXGWNILW-LSDHHAIUSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)O[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000404504789 414787389 /nfs/dbraw/zinc/78/73/89/414787389.db2.gz AWLGHAJOHULAIH-ILXRZTDVSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000660371254 414787335 /nfs/dbraw/zinc/78/73/35/414787335.db2.gz OWQKLLWXGWNILW-LSDHHAIUSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660371254 414787341 /nfs/dbraw/zinc/78/73/41/414787341.db2.gz OWQKLLWXGWNILW-LSDHHAIUSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CCc2ccccc21 ZINC000404728362 414788236 /nfs/dbraw/zinc/78/82/36/414788236.db2.gz GGSQTLLSKLDBJS-RHSMWYFYSA-N 2 1 288.435 2.103 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CCc2ccccc21 ZINC000404728362 414788242 /nfs/dbraw/zinc/78/82/42/414788242.db2.gz GGSQTLLSKLDBJS-RHSMWYFYSA-N 2 1 288.435 2.103 20 0 CEADMP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CCc2ccccc21 ZINC000404728362 414788248 /nfs/dbraw/zinc/78/82/48/414788248.db2.gz GGSQTLLSKLDBJS-RHSMWYFYSA-N 2 1 288.435 2.103 20 0 CEADMP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CCc2ccccc21 ZINC000404728362 414788251 /nfs/dbraw/zinc/78/82/51/414788251.db2.gz GGSQTLLSKLDBJS-RHSMWYFYSA-N 2 1 288.435 2.103 20 0 CEADMP CCO[C@@H]1C[N@H+](Cc2ccc(SC)cc2)C[C@H]1C[NH3+] ZINC000405519165 414796390 /nfs/dbraw/zinc/79/63/90/414796390.db2.gz IMDMSRNELHRSAR-UKRRQHHQSA-N 2 1 280.437 2.204 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccc(SC)cc2)C[C@H]1C[NH3+] ZINC000405519165 414796397 /nfs/dbraw/zinc/79/63/97/414796397.db2.gz IMDMSRNELHRSAR-UKRRQHHQSA-N 2 1 280.437 2.204 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C1CCC1 ZINC000660416847 414808698 /nfs/dbraw/zinc/80/86/98/414808698.db2.gz XTBJBBWOMZZIFO-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(CO)cc1 ZINC000133020612 414827865 /nfs/dbraw/zinc/82/78/65/414827865.db2.gz MUUMVXJQRLIYCF-UHFFFAOYSA-N 2 1 250.386 2.000 20 0 CEADMP C[C@H](NCc1cnc2n1CCC2)c1ccc2c(c1)OCCO2 ZINC000657291336 414836587 /nfs/dbraw/zinc/83/65/87/414836587.db2.gz YJBYBDYXMLVPJR-LBPRGKRZSA-N 2 1 299.374 2.451 20 0 CEADMP Cn1ncc(C2CCC2)c1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657313031 414854726 /nfs/dbraw/zinc/85/47/26/414854726.db2.gz GEBYXRFSVKGBJD-GJZGRUSLSA-N 2 1 288.439 2.404 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657313031 414854730 /nfs/dbraw/zinc/85/47/30/414854730.db2.gz GEBYXRFSVKGBJD-GJZGRUSLSA-N 2 1 288.439 2.404 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657313031 414854735 /nfs/dbraw/zinc/85/47/35/414854735.db2.gz GEBYXRFSVKGBJD-GJZGRUSLSA-N 2 1 288.439 2.404 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000657319182 414856916 /nfs/dbraw/zinc/85/69/16/414856916.db2.gz USTBVFDMURVSBP-UHFFFAOYSA-N 2 1 288.439 2.262 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1cccnc1)C(C)(C)CO ZINC000660637777 414908155 /nfs/dbraw/zinc/90/81/55/414908155.db2.gz IVSVLQVOWUOBOD-CVEARBPZSA-N 2 1 291.439 2.215 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1cccnc1)C(C)(C)CO ZINC000660637777 414908158 /nfs/dbraw/zinc/90/81/58/414908158.db2.gz IVSVLQVOWUOBOD-CVEARBPZSA-N 2 1 291.439 2.215 20 0 CEADMP Cc1ccccc1CC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660647132 414913993 /nfs/dbraw/zinc/91/39/93/414913993.db2.gz CFXHXMPTGGRUJL-KRWDZBQOSA-N 2 1 278.440 2.170 20 0 CEADMP Cc1ccccc1CC[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000660647132 414913998 /nfs/dbraw/zinc/91/39/98/414913998.db2.gz CFXHXMPTGGRUJL-KRWDZBQOSA-N 2 1 278.440 2.170 20 0 CEADMP Cc1ccccc1CC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000660647132 414914001 /nfs/dbraw/zinc/91/40/01/414914001.db2.gz CFXHXMPTGGRUJL-KRWDZBQOSA-N 2 1 278.440 2.170 20 0 CEADMP Cc1ccccc1CC[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000660647132 414914005 /nfs/dbraw/zinc/91/40/05/414914005.db2.gz CFXHXMPTGGRUJL-KRWDZBQOSA-N 2 1 278.440 2.170 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCCN(CC[C@H]1CCCC[NH+]1C)C2 ZINC000660654113 414918341 /nfs/dbraw/zinc/91/83/41/414918341.db2.gz CVXFMGMKZWJQPB-SJORKVTESA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCCN(CC[C@H]1CCCC[N@@H+]1C)C2 ZINC000660654113 414918346 /nfs/dbraw/zinc/91/83/46/414918346.db2.gz CVXFMGMKZWJQPB-SJORKVTESA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCCN(CC[C@H]1CCCC[N@H+]1C)C2 ZINC000660654113 414918350 /nfs/dbraw/zinc/91/83/50/414918350.db2.gz CVXFMGMKZWJQPB-SJORKVTESA-N 2 1 279.472 2.279 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)[C@@H](C)O1 ZINC000663344122 414921570 /nfs/dbraw/zinc/92/15/70/414921570.db2.gz OMELPFWMYUOJGD-XOUADPBQSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1nc(CC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cs1 ZINC000660661784 414923179 /nfs/dbraw/zinc/92/31/79/414923179.db2.gz GOSNHDHBFGDLDZ-OAHLLOKOSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1nc(CC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cs1 ZINC000660661784 414923184 /nfs/dbraw/zinc/92/31/84/414923184.db2.gz GOSNHDHBFGDLDZ-OAHLLOKOSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1nc(CC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cs1 ZINC000660661784 414923187 /nfs/dbraw/zinc/92/31/87/414923187.db2.gz GOSNHDHBFGDLDZ-OAHLLOKOSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1nc(CC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cs1 ZINC000660661784 414923191 /nfs/dbraw/zinc/92/31/91/414923191.db2.gz GOSNHDHBFGDLDZ-OAHLLOKOSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347469 414924425 /nfs/dbraw/zinc/92/44/25/414924425.db2.gz LPTKQHFMBQMYGO-OAHLLOKOSA-N 2 1 276.428 2.238 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347469 414924426 /nfs/dbraw/zinc/92/44/26/414924426.db2.gz LPTKQHFMBQMYGO-OAHLLOKOSA-N 2 1 276.428 2.238 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657337574 414869647 /nfs/dbraw/zinc/86/96/47/414869647.db2.gz ZXKBHNXOCLXRCW-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657337574 414869651 /nfs/dbraw/zinc/86/96/51/414869651.db2.gz ZXKBHNXOCLXRCW-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CCC(F)(F)CC1 ZINC000660558357 414875352 /nfs/dbraw/zinc/87/53/52/414875352.db2.gz RDXHRIGYSIBZPL-ZDUSSCGKSA-N 2 1 278.387 2.197 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C1CCC(F)(F)CC1 ZINC000660558357 414875360 /nfs/dbraw/zinc/87/53/60/414875360.db2.gz RDXHRIGYSIBZPL-ZDUSSCGKSA-N 2 1 278.387 2.197 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000660558357 414875364 /nfs/dbraw/zinc/87/53/64/414875364.db2.gz RDXHRIGYSIBZPL-ZDUSSCGKSA-N 2 1 278.387 2.197 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000653037054 414876970 /nfs/dbraw/zinc/87/69/70/414876970.db2.gz SJRQMEQFYWCVPX-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000653037054 414876976 /nfs/dbraw/zinc/87/69/76/414876976.db2.gz SJRQMEQFYWCVPX-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000653037054 414876980 /nfs/dbraw/zinc/87/69/80/414876980.db2.gz SJRQMEQFYWCVPX-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)[C@@H](C)Cc1cccc(F)c1 ZINC000660781807 414971035 /nfs/dbraw/zinc/97/10/35/414971035.db2.gz WVBWGHGBEHDAKA-WMLDXEAASA-N 2 1 296.430 2.390 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000660781807 414971037 /nfs/dbraw/zinc/97/10/37/414971037.db2.gz WVBWGHGBEHDAKA-WMLDXEAASA-N 2 1 296.430 2.390 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000660781807 414971042 /nfs/dbraw/zinc/97/10/42/414971042.db2.gz WVBWGHGBEHDAKA-WMLDXEAASA-N 2 1 296.430 2.390 20 0 CEADMP CCC(CC)CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000663501518 414973369 /nfs/dbraw/zinc/97/33/69/414973369.db2.gz XGOLHZXYNODSAB-MRXNPFEDSA-N 2 1 297.487 2.332 20 0 CEADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000663504302 414974870 /nfs/dbraw/zinc/97/48/70/414974870.db2.gz YRWSBUPBPINCLP-RRFJBIMHSA-N 3 1 255.450 2.260 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+]CCCCCOc1ccccc1 ZINC000663514842 414979034 /nfs/dbraw/zinc/97/90/34/414979034.db2.gz UQYYWFUNHMOXMN-AWEZNQCLSA-N 2 1 250.386 2.433 20 0 CEADMP Cc1ccncc1CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000657588598 415012812 /nfs/dbraw/zinc/01/28/12/415012812.db2.gz LITFQBVYFOKIDO-UHFFFAOYSA-N 2 1 270.380 2.183 20 0 CEADMP Cc1nccc([C@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000653499562 415014894 /nfs/dbraw/zinc/01/48/94/415014894.db2.gz SFTHAJUVVWEJAS-HNNXBMFYSA-N 2 1 299.422 2.331 20 0 CEADMP Cc1nccc([C@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000653499562 415014899 /nfs/dbraw/zinc/01/48/99/415014899.db2.gz SFTHAJUVVWEJAS-HNNXBMFYSA-N 2 1 299.422 2.331 20 0 CEADMP CC1(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000657597598 415017408 /nfs/dbraw/zinc/01/74/08/415017408.db2.gz VJIFMROJAOAAHE-INIZCTEOSA-N 2 1 274.408 2.143 20 0 CEADMP Cc1cc(CO)cc(NC[C@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000663451158 414956473 /nfs/dbraw/zinc/95/64/73/414956473.db2.gz PFKZNQBAUVZRSI-CYBMUJFWSA-N 2 1 263.385 2.025 20 0 CEADMP Cc1cc(CO)cc(NC[C@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000663451158 414956476 /nfs/dbraw/zinc/95/64/76/414956476.db2.gz PFKZNQBAUVZRSI-CYBMUJFWSA-N 2 1 263.385 2.025 20 0 CEADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CO1 ZINC000663466075 414963609 /nfs/dbraw/zinc/96/36/09/414963609.db2.gz NWYZCFAEAUQERH-GJZGRUSLSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000653608587 415051701 /nfs/dbraw/zinc/05/17/01/415051701.db2.gz XPCVSUSBHYYMCO-KLHDSHLOSA-N 2 1 270.461 2.349 20 0 CEADMP CC1(C)[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1(F)F ZINC000657738960 415066893 /nfs/dbraw/zinc/06/68/93/415066893.db2.gz OXPSSNZWUURPCT-SRVKXCTJSA-N 2 1 258.356 2.494 20 0 CEADMP CC[C@H](c1cccc(OC)c1)[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000653675812 415070178 /nfs/dbraw/zinc/07/01/78/415070178.db2.gz SPNCQHQQYOOINA-NVXWUHKLSA-N 2 1 294.439 2.391 20 0 CEADMP CC[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000653675812 415070183 /nfs/dbraw/zinc/07/01/83/415070183.db2.gz SPNCQHQQYOOINA-NVXWUHKLSA-N 2 1 294.439 2.391 20 0 CEADMP CC[C@H](c1cccc(OC)c1)[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000653675812 415070186 /nfs/dbraw/zinc/07/01/86/415070186.db2.gz SPNCQHQQYOOINA-NVXWUHKLSA-N 2 1 294.439 2.391 20 0 CEADMP CC[C@H](c1cccc(OC)c1)[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000653675812 415070192 /nfs/dbraw/zinc/07/01/92/415070192.db2.gz SPNCQHQQYOOINA-NVXWUHKLSA-N 2 1 294.439 2.391 20 0 CEADMP CC[C@@H](c1cccc(OC)c1)[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000653675813 415071148 /nfs/dbraw/zinc/07/11/48/415071148.db2.gz SPNCQHQQYOOINA-RDJZCZTQSA-N 2 1 294.439 2.391 20 0 CEADMP CC[C@@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000653675813 415071150 /nfs/dbraw/zinc/07/11/50/415071150.db2.gz SPNCQHQQYOOINA-RDJZCZTQSA-N 2 1 294.439 2.391 20 0 CEADMP CC[C@@H](c1cccc(OC)c1)[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000653675813 415071153 /nfs/dbraw/zinc/07/11/53/415071153.db2.gz SPNCQHQQYOOINA-RDJZCZTQSA-N 2 1 294.439 2.391 20 0 CEADMP CC[C@@H](c1cccc(OC)c1)[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000653675813 415071156 /nfs/dbraw/zinc/07/11/56/415071156.db2.gz SPNCQHQQYOOINA-RDJZCZTQSA-N 2 1 294.439 2.391 20 0 CEADMP C[C@@H](c1ccncc1)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000653688260 415075944 /nfs/dbraw/zinc/07/59/44/415075944.db2.gz QGDYSJZJQGXXLT-GJZGRUSLSA-N 2 1 289.423 2.328 20 0 CEADMP NC(=O)CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000657799051 415084829 /nfs/dbraw/zinc/08/48/29/415084829.db2.gz UTBJXPXFXSVPGN-HUUCEWRRSA-N 2 1 293.455 2.029 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC[NH+](CC2CC2)CC1 ZINC000657815224 415092207 /nfs/dbraw/zinc/09/22/07/415092207.db2.gz NFJAVBJFICVCLD-QZTJIDSGSA-N 3 1 291.483 2.325 20 0 CEADMP CO[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)CC1(C)C ZINC000653748640 415093011 /nfs/dbraw/zinc/09/30/11/415093011.db2.gz XZVIAOMLFWFCMK-CQSZACIVSA-N 2 1 265.401 2.100 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)CC1(C)C ZINC000653748640 415093016 /nfs/dbraw/zinc/09/30/16/415093016.db2.gz XZVIAOMLFWFCMK-CQSZACIVSA-N 2 1 265.401 2.100 20 0 CEADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C(F)F ZINC000658001186 415149616 /nfs/dbraw/zinc/14/96/16/415149616.db2.gz CHTIGKDVMLROKU-LBPRGKRZSA-N 2 1 291.430 2.282 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCSCC1 ZINC000657879951 415112287 /nfs/dbraw/zinc/11/22/87/415112287.db2.gz NKWSLKXZSIABHF-LSDHHAIUSA-N 2 1 286.485 2.099 20 0 CEADMP Clc1cnccc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000664011850 415122358 /nfs/dbraw/zinc/12/23/58/415122358.db2.gz UABBTEHXOSSYEK-UHFFFAOYSA-N 2 1 295.814 2.426 20 0 CEADMP Clc1c[nH+]ccc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000664011850 415122366 /nfs/dbraw/zinc/12/23/66/415122366.db2.gz UABBTEHXOSSYEK-UHFFFAOYSA-N 2 1 295.814 2.426 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cnn(C)c1 ZINC000044499879 175185494 /nfs/dbraw/zinc/18/54/94/175185494.db2.gz VHKAHRWNQWHVAD-UONOGXRCSA-N 2 1 264.417 2.193 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000044529578 175194016 /nfs/dbraw/zinc/19/40/16/175194016.db2.gz WQBGBOXLBAEZGJ-HNNXBMFYSA-N 2 1 262.397 2.353 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C(C)(C)C)C2)[C@@H](C)C1 ZINC000658094618 415205877 /nfs/dbraw/zinc/20/58/77/415205877.db2.gz ZFWCKPBHTJYRAC-KKUMJFAQSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C(C)(C)C)C2)[C@@H](C)C1 ZINC000658094618 415205882 /nfs/dbraw/zinc/20/58/82/415205882.db2.gz ZFWCKPBHTJYRAC-KKUMJFAQSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C(C)(C)C)C2)[C@@H](C)C1 ZINC000658094618 415205892 /nfs/dbraw/zinc/20/58/92/415205892.db2.gz ZFWCKPBHTJYRAC-KKUMJFAQSA-N 2 1 267.461 2.179 20 0 CEADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000658123061 415219704 /nfs/dbraw/zinc/21/97/04/415219704.db2.gz IXNVKJQVJOKYJG-GVDBMIGSSA-N 2 1 273.424 2.395 20 0 CEADMP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000658227430 415263193 /nfs/dbraw/zinc/26/31/93/415263193.db2.gz WVXYNUZYTSZLIC-MRXNPFEDSA-N 2 1 279.472 2.467 20 0 CEADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229214 415265299 /nfs/dbraw/zinc/26/52/99/415265299.db2.gz PMEORWCTJJCCGC-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229214 415265303 /nfs/dbraw/zinc/26/53/03/415265303.db2.gz PMEORWCTJJCCGC-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000661440427 415266568 /nfs/dbraw/zinc/26/65/68/415266568.db2.gz CQHWEVWNNJEOFK-ZFWWWQNUSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000661440427 415266576 /nfs/dbraw/zinc/26/65/76/415266576.db2.gz CQHWEVWNNJEOFK-ZFWWWQNUSA-N 2 1 265.401 2.065 20 0 CEADMP c1coc(CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000658325145 415317833 /nfs/dbraw/zinc/31/78/33/415317833.db2.gz KMARJNVVGHELHV-KRWDZBQOSA-N 2 1 292.423 2.445 20 0 CEADMP CC1(C)OCC[C@@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658326520 415318123 /nfs/dbraw/zinc/31/81/23/415318123.db2.gz CWQKLICQPYCAKR-ZBFHGGJFSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658348561 415328741 /nfs/dbraw/zinc/32/87/41/415328741.db2.gz BYRCGVITTICSKM-MWQQHZPXSA-N 2 1 274.408 2.010 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658348561 415328748 /nfs/dbraw/zinc/32/87/48/415328748.db2.gz BYRCGVITTICSKM-MWQQHZPXSA-N 2 1 274.408 2.010 20 0 CEADMP CCOCCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655695099 415395031 /nfs/dbraw/zinc/39/50/31/415395031.db2.gz QMRXFGPWXXBREA-MRXNPFEDSA-N 2 1 284.444 2.036 20 0 CEADMP CCCCOCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655702914 415397640 /nfs/dbraw/zinc/39/76/40/415397640.db2.gz FXHSSEZMURSESO-MRXNPFEDSA-N 2 1 284.444 2.036 20 0 CEADMP CCC(CC)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655713292 415404707 /nfs/dbraw/zinc/40/47/07/415404707.db2.gz XGIGUTMRPXOLPX-HNNXBMFYSA-N 2 1 254.418 2.266 20 0 CEADMP CCC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000655721172 415411824 /nfs/dbraw/zinc/41/18/24/415411824.db2.gz MGRKBZDIYRBERT-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@H+](CCC[NH+]1CCCCC1)CC1=CCCOC1 ZINC000661654738 415386858 /nfs/dbraw/zinc/38/68/58/415386858.db2.gz MVIABPCPJKGUIY-UHFFFAOYSA-N 2 1 252.402 2.141 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)CC1=CCCOC1 ZINC000661654738 415386862 /nfs/dbraw/zinc/38/68/62/415386862.db2.gz MVIABPCPJKGUIY-UHFFFAOYSA-N 2 1 252.402 2.141 20 0 CEADMP CC1(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655764581 415443900 /nfs/dbraw/zinc/44/39/00/415443900.db2.gz LDOTYNTYNSCNJP-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C[C@@H]1CCOC1 ZINC000655774505 415454576 /nfs/dbraw/zinc/45/45/76/415454576.db2.gz VBTGNQCPZZSVHG-WBVHZDCISA-N 2 1 296.455 2.036 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000655776386 415455949 /nfs/dbraw/zinc/45/59/49/415455949.db2.gz IUDGCXLEKQMYBA-BSWAZPDLSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@@H]1COC2(CCCC2)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000661979474 415554432 /nfs/dbraw/zinc/55/44/32/415554432.db2.gz XUIRXKWBDHDCGO-CQSZACIVSA-N 2 1 277.412 2.386 20 0 CEADMP C[C@@H]1COC2(CCCC2)C[N@H+]1CCCc1c[nH+]cn1C ZINC000661979474 415554437 /nfs/dbraw/zinc/55/44/37/415554437.db2.gz XUIRXKWBDHDCGO-CQSZACIVSA-N 2 1 277.412 2.386 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000655938237 415558279 /nfs/dbraw/zinc/55/82/79/415558279.db2.gz PNHNZGAXHVZPQG-GFCCVEGCSA-N 2 1 268.351 2.439 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCCc2c(F)cccc2F)C1 ZINC000655938237 415558285 /nfs/dbraw/zinc/55/82/85/415558285.db2.gz PNHNZGAXHVZPQG-GFCCVEGCSA-N 2 1 268.351 2.439 20 0 CEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000655949520 415562575 /nfs/dbraw/zinc/56/25/75/415562575.db2.gz WTCUVUMTUPGATG-LLVKDONJSA-N 2 1 298.333 2.440 20 0 CEADMP Cc1noc([C@H](C)[N@H+](C)CCCC2CC[NH2+]CC2)n1 ZINC000655949515 415562817 /nfs/dbraw/zinc/56/28/17/415562817.db2.gz WRGDIFKHEWEZTR-NSHDSACASA-N 2 1 266.389 2.151 20 0 CEADMP Cc1noc([C@H](C)[N@@H+](C)CCCC2CC[NH2+]CC2)n1 ZINC000655949515 415562829 /nfs/dbraw/zinc/56/28/29/415562829.db2.gz WRGDIFKHEWEZTR-NSHDSACASA-N 2 1 266.389 2.151 20 0 CEADMP CCC(C)(C)[NH+]1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000656193735 415628497 /nfs/dbraw/zinc/62/84/97/415628497.db2.gz QTRMOFDJEZMZJY-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP CCC(C)(C)[NH+]1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000656193737 415629401 /nfs/dbraw/zinc/62/94/01/415629401.db2.gz QTRMOFDJEZMZJY-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1cnc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000656199980 415633365 /nfs/dbraw/zinc/63/33/65/415633365.db2.gz HVXHFCNZGKWUTR-HOCLYGCPSA-N 2 1 261.413 2.361 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000665236080 415637347 /nfs/dbraw/zinc/63/73/47/415637347.db2.gz GZBIABHGUXWJKY-XUWVNRHRSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1c[nH+]ccc1N ZINC000665236376 415637631 /nfs/dbraw/zinc/63/76/31/415637631.db2.gz LLISNDRCHUBVRS-NEPJUHHUSA-N 2 1 262.401 2.018 20 0 CEADMP COc1cccc(OC)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000665238404 415642534 /nfs/dbraw/zinc/64/25/34/415642534.db2.gz XTUBXDBPSFWKBF-NWDGAFQWSA-N 2 1 264.369 2.063 20 0 CEADMP Cc1cccc(NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000656210478 415644403 /nfs/dbraw/zinc/64/44/03/415644403.db2.gz DCCWFZRRJATPJM-MCIONIFRSA-N 2 1 263.385 2.300 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000662155184 415660575 /nfs/dbraw/zinc/66/05/75/415660575.db2.gz DPPPEDGYZSPNFH-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(C)c1 ZINC000665292953 415678485 /nfs/dbraw/zinc/67/84/85/415678485.db2.gz NECHMJUFGVKDLG-CQSZACIVSA-N 2 1 286.379 2.190 20 0 CEADMP CCC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccsc1 ZINC000665293090 415679504 /nfs/dbraw/zinc/67/95/04/415679504.db2.gz RCFSQQYMKFBXMY-GFCCVEGCSA-N 2 1 292.408 2.333 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299325 415684299 /nfs/dbraw/zinc/68/42/99/415684299.db2.gz KQLWCRXUJQSHCG-BBWFWOEESA-N 3 1 279.472 2.358 20 0 CEADMP C[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000665299097 415684915 /nfs/dbraw/zinc/68/49/15/415684915.db2.gz GFVKEORWVPBLDU-HYVNUMGLSA-N 3 1 279.472 2.229 20 0 CEADMP C[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnccc1N ZINC000665298857 415685078 /nfs/dbraw/zinc/68/50/78/415685078.db2.gz AZMGAFWADKFAPB-ZFWWWQNUSA-N 3 1 288.439 2.267 20 0 CEADMP C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnccc1N ZINC000665298857 415685086 /nfs/dbraw/zinc/68/50/86/415685086.db2.gz AZMGAFWADKFAPB-ZFWWWQNUSA-N 3 1 288.439 2.267 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299326 415685131 /nfs/dbraw/zinc/68/51/31/415685131.db2.gz KQLWCRXUJQSHCG-BRWVUGGUSA-N 3 1 279.472 2.358 20 0 CEADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccco1 ZINC000070944381 176016689 /nfs/dbraw/zinc/01/66/89/176016689.db2.gz GNWORFFQLKRMRX-CQSZACIVSA-N 2 1 295.427 2.119 20 0 CEADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148691 176044697 /nfs/dbraw/zinc/04/46/97/176044697.db2.gz IKKCQPRFUIGZPD-GFCCVEGCSA-N 2 1 299.821 2.377 20 0 CEADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000071212302 176084188 /nfs/dbraw/zinc/08/41/88/176084188.db2.gz NICSZALPHTUCGD-YOGCLGLASA-N 2 1 251.399 2.166 20 0 CEADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000071212302 176084189 /nfs/dbraw/zinc/08/41/89/176084189.db2.gz NICSZALPHTUCGD-YOGCLGLASA-N 2 1 251.399 2.166 20 0 CEADMP c1cc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cs1 ZINC000662251130 415717153 /nfs/dbraw/zinc/71/71/53/415717153.db2.gz ZNRRGGVROJVZNC-UONOGXRCSA-N 2 1 278.421 2.406 20 0 CEADMP C[N@@H+](CCCCc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251176 415717598 /nfs/dbraw/zinc/71/75/98/415717598.db2.gz AMVWLCPRECAGMN-KRWDZBQOSA-N 2 1 288.435 2.462 20 0 CEADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662255864 415721598 /nfs/dbraw/zinc/72/15/98/415721598.db2.gz FNOUQHXQGUNRCT-KCQAQPDRSA-N 2 1 266.429 2.406 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256870 415725151 /nfs/dbraw/zinc/72/51/51/415725151.db2.gz LYYBFDJYYVXITF-SJORKVTESA-N 2 1 288.435 2.461 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256868 415725527 /nfs/dbraw/zinc/72/55/27/415725527.db2.gz LYYBFDJYYVXITF-IAGOWNOFSA-N 2 1 288.435 2.461 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1)c1ccccc1 ZINC000662258475 415725741 /nfs/dbraw/zinc/72/57/41/415725741.db2.gz VBAGLGDBTRUHKB-GOEBONIOSA-N 2 1 274.408 2.243 20 0 CEADMP CO[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000662266410 415732538 /nfs/dbraw/zinc/73/25/38/415732538.db2.gz YDOYSQTWCHAJFE-IZGVIRRGSA-N 2 1 252.402 2.016 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](OC)C2CCCC2)C1 ZINC000662236602 415702046 /nfs/dbraw/zinc/70/20/46/415702046.db2.gz FYLGZFMHVDBMJQ-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@H]1[NH3+] ZINC000662244394 415708088 /nfs/dbraw/zinc/70/80/88/415708088.db2.gz NSVUKLAUNBGBQE-ZYHUDNBSSA-N 2 1 298.333 2.220 20 0 CEADMP CCc1ccc(C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248717 415710111 /nfs/dbraw/zinc/71/01/11/415710111.db2.gz BSAZQWQNZTUASY-MRXNPFEDSA-N 2 1 274.408 2.202 20 0 CEADMP C[NH2+]C(C)(C)c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455303 415715652 /nfs/dbraw/zinc/71/56/52/415715652.db2.gz CGHYOEZPAFCBMF-HNNXBMFYSA-N 2 1 299.422 2.180 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)C1CCCC1 ZINC000662273702 415740768 /nfs/dbraw/zinc/74/07/68/415740768.db2.gz YRZIRCBQLXKJAV-UKRRQHHQSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662279112 415744709 /nfs/dbraw/zinc/74/47/09/415744709.db2.gz QJAWJDHZWALVQC-ZFWWWQNUSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662277798 415746559 /nfs/dbraw/zinc/74/65/59/415746559.db2.gz UKEFBZPJBYQKDC-HZSPNIEDSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662279405 415747269 /nfs/dbraw/zinc/74/72/69/415747269.db2.gz UDDWYZODEVLAQT-LBPRGKRZSA-N 2 1 298.789 2.432 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CCC1 ZINC000662271475 415735075 /nfs/dbraw/zinc/73/50/75/415735075.db2.gz HKBFQPBPIGWITL-FGTMMUONSA-N 2 1 288.435 2.476 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc(C)n1 ZINC000662272582 415737550 /nfs/dbraw/zinc/73/75/50/415737550.db2.gz GHWRYHITTCKLPW-CVEARBPZSA-N 2 1 288.439 2.305 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662272274 415738544 /nfs/dbraw/zinc/73/85/44/415738544.db2.gz DEBODFFXUBAQLK-INIZCTEOSA-N 3 1 273.424 2.036 20 0 CEADMP C[NH2+]C[C@](C)(O)C[NH2+][C@H](c1ccccc1F)C(C)C ZINC000662302272 415766250 /nfs/dbraw/zinc/76/62/50/415766250.db2.gz LRBOOZAEEAJKCM-GJZGRUSLSA-N 2 1 268.376 2.083 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCOCC(F)F)[C@@H]1CCC[NH3+] ZINC000662316736 415774465 /nfs/dbraw/zinc/77/44/65/415774465.db2.gz MVYFKRMCGJXZKK-VXGBXAGGSA-N 2 1 264.360 2.108 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])no1 ZINC000662315660 415775450 /nfs/dbraw/zinc/77/54/50/415775450.db2.gz RUPBDHVWKNWSHF-BXUZGUMPSA-N 2 1 251.374 2.322 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@H+]([C@H]2C=CCCC2)CCO1 ZINC000662318911 415777188 /nfs/dbraw/zinc/77/71/88/415777188.db2.gz AWPFMBWXJKFAGR-GJZGRUSLSA-N 2 1 252.402 2.138 20 0 CEADMP CCc1nocc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000662285196 415752284 /nfs/dbraw/zinc/75/22/84/415752284.db2.gz ZHHJUCLUMBWIBD-FVQBIDKESA-N 2 1 293.411 2.098 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000662284865 415752626 /nfs/dbraw/zinc/75/26/26/415752626.db2.gz QDRVRURGRGXZCY-UHFFFAOYSA-N 3 1 285.435 2.036 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000662284865 415752634 /nfs/dbraw/zinc/75/26/34/415752634.db2.gz QDRVRURGRGXZCY-UHFFFAOYSA-N 3 1 285.435 2.036 20 0 CEADMP NCC12CCC(CC1)C[N@@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000662284865 415752656 /nfs/dbraw/zinc/75/26/56/415752656.db2.gz QDRVRURGRGXZCY-UHFFFAOYSA-N 2 1 285.435 2.036 20 0 CEADMP NCC12CCC(CC1)C[N@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000662284865 415752660 /nfs/dbraw/zinc/75/26/60/415752660.db2.gz QDRVRURGRGXZCY-UHFFFAOYSA-N 2 1 285.435 2.036 20 0 CEADMP CCc1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)o1 ZINC000662293409 415755033 /nfs/dbraw/zinc/75/50/33/415755033.db2.gz RTJOKQNAOXPUKO-AWEZNQCLSA-N 2 1 277.412 2.449 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H]1CC[NH3+] ZINC000662287142 415755644 /nfs/dbraw/zinc/75/56/44/415755644.db2.gz WTVMQHXEZOZUEM-RDTXWAMCSA-N 3 1 287.451 2.282 20 0 CEADMP CCC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000659999798 415842277 /nfs/dbraw/zinc/84/22/77/415842277.db2.gz HMQCHLZGGKQSCB-HUUCEWRRSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000659999798 415842281 /nfs/dbraw/zinc/84/22/81/415842281.db2.gz HMQCHLZGGKQSCB-HUUCEWRRSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000659999798 415842286 /nfs/dbraw/zinc/84/22/86/415842286.db2.gz HMQCHLZGGKQSCB-HUUCEWRRSA-N 2 1 256.434 2.200 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)OC ZINC000659927731 415788267 /nfs/dbraw/zinc/78/82/67/415788267.db2.gz IKBANVRJAKJUGR-BBWFWOEESA-N 2 1 298.471 2.234 20 0 CEADMP COC[C@H](C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)OC ZINC000659927731 415788271 /nfs/dbraw/zinc/78/82/71/415788271.db2.gz IKBANVRJAKJUGR-BBWFWOEESA-N 2 1 298.471 2.234 20 0 CEADMP COC[C@H](C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)OC ZINC000659927731 415788273 /nfs/dbraw/zinc/78/82/73/415788273.db2.gz IKBANVRJAKJUGR-BBWFWOEESA-N 2 1 298.471 2.234 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000656693816 415815016 /nfs/dbraw/zinc/81/50/16/415815016.db2.gz ITJPDVCJGNEDIE-HIFRSBDPSA-N 2 1 282.453 2.490 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000656693816 415815021 /nfs/dbraw/zinc/81/50/21/415815021.db2.gz ITJPDVCJGNEDIE-HIFRSBDPSA-N 2 1 282.453 2.490 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCCc1ccccc1 ZINC000656696235 415818006 /nfs/dbraw/zinc/81/80/06/415818006.db2.gz ZFTJVLWIXWFUMW-QGZVFWFLSA-N 2 1 278.440 2.252 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCCc1ccccc1 ZINC000656696235 415818009 /nfs/dbraw/zinc/81/80/09/415818009.db2.gz ZFTJVLWIXWFUMW-QGZVFWFLSA-N 2 1 278.440 2.252 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCCc1ccccc1 ZINC000656696235 415818013 /nfs/dbraw/zinc/81/80/13/415818013.db2.gz ZFTJVLWIXWFUMW-QGZVFWFLSA-N 2 1 278.440 2.252 20 0 CEADMP Cc1cc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)nc(C)n1 ZINC000659978060 415822979 /nfs/dbraw/zinc/82/29/79/415822979.db2.gz KVDDQTPMILZDOY-MRXNPFEDSA-N 2 1 288.439 2.257 20 0 CEADMP CC(C)C[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000656698785 415823043 /nfs/dbraw/zinc/82/30/43/415823043.db2.gz OGHBFNUWPCOHDZ-CVEARBPZSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)C[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000656698785 415823047 /nfs/dbraw/zinc/82/30/47/415823047.db2.gz OGHBFNUWPCOHDZ-CVEARBPZSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)C[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000656698785 415823054 /nfs/dbraw/zinc/82/30/54/415823054.db2.gz OGHBFNUWPCOHDZ-CVEARBPZSA-N 2 1 270.461 2.446 20 0 CEADMP Cc1nc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)co1 ZINC000660115425 415888020 /nfs/dbraw/zinc/88/80/20/415888020.db2.gz NCCYDQUCDZUATJ-XJKSGUPXSA-N 2 1 275.396 2.432 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000662593281 415896131 /nfs/dbraw/zinc/89/61/31/415896131.db2.gz NEOZXBXKISUSAA-HNNXBMFYSA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)NCC1([NH3+])CCCC1)c1ccccc1 ZINC000662652507 415920199 /nfs/dbraw/zinc/92/01/99/415920199.db2.gz LPMRVAQCIVMUGO-OAHLLOKOSA-N 2 1 289.423 2.067 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CC2(C)COC2)C1 ZINC000352834511 287347924 /nfs/dbraw/zinc/34/79/24/287347924.db2.gz XGMGVJAHMNQVMK-CQSZACIVSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@@H]1CCC[N@H+]1C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000305700470 287367642 /nfs/dbraw/zinc/36/76/42/287367642.db2.gz WBSDMKGXWCMIIZ-VNQPRFMTSA-N 2 1 266.429 2.239 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1c[nH]c2nccnc12 ZINC000356128882 228133083 /nfs/dbraw/zinc/13/30/83/228133083.db2.gz ZENHPFQUJJBHLT-CYBMUJFWSA-N 2 1 287.411 2.264 20 0 CEADMP c1[nH]c(-c2ccccc2)nc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952339 419490245 /nfs/dbraw/zinc/49/02/45/419490245.db2.gz RVCOWDVPWCZDAU-HNNXBMFYSA-N 2 1 282.391 2.308 20 0 CEADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770614 419425323 /nfs/dbraw/zinc/42/53/23/419425323.db2.gz MXRHZVQGSITIDQ-ZFWWWQNUSA-N 2 1 290.407 2.468 20 0 CEADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770443 419425399 /nfs/dbraw/zinc/42/53/99/419425399.db2.gz AGTVOFWAXOCRIV-GXTWGEPZSA-N 2 1 250.361 2.488 20 0 CEADMP CC(C)C[C@H](CN)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000666798843 419435464 /nfs/dbraw/zinc/43/54/64/419435464.db2.gz GHXLLKRNTYOOQO-MRXNPFEDSA-N 2 1 293.455 2.090 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000666798843 419435467 /nfs/dbraw/zinc/43/54/67/419435467.db2.gz GHXLLKRNTYOOQO-MRXNPFEDSA-N 3 1 293.455 2.090 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)Nc2c(C)ccnc2C)C1 ZINC000667060790 419530944 /nfs/dbraw/zinc/53/09/44/419530944.db2.gz AJURVTQLIRBXIF-ZDUSSCGKSA-N 2 1 276.384 2.304 20 0 CEADMP C[C@@H](O)C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000666127360 419547712 /nfs/dbraw/zinc/54/77/12/419547712.db2.gz PTLJDXYTPJCNRA-LSDHHAIUSA-N 2 1 276.424 2.389 20 0 CEADMP C1CC2(C1)C[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC[NH2+]2 ZINC000666993900 419505351 /nfs/dbraw/zinc/50/53/51/419505351.db2.gz RXCAXZPOWFQRGJ-YHUYYLMFSA-N 3 1 277.456 2.171 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c(C2CC2)cnn1C ZINC000667695709 419771918 /nfs/dbraw/zinc/77/19/18/419771918.db2.gz ZXQBSNSQTRTHPU-CABCVRRESA-N 2 1 288.439 2.356 20 0 CEADMP COC(C)(C)C[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667700093 419772306 /nfs/dbraw/zinc/77/23/06/419772306.db2.gz RHZFTGMYXSIMGD-UHFFFAOYSA-N 2 1 274.368 2.124 20 0 CEADMP C[N@@H+](CCC1CC1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667708542 419775601 /nfs/dbraw/zinc/77/56/01/419775601.db2.gz FYSZBVRZAIAGEA-UHFFFAOYSA-N 2 1 256.353 2.499 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667784534 419802685 /nfs/dbraw/zinc/80/26/85/419802685.db2.gz RJCMIHQWXXBDMO-IKGGRYGDSA-N 2 1 279.472 2.182 20 0 CEADMP COc1ccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000517937037 260321318 /nfs/dbraw/zinc/32/13/18/260321318.db2.gz JVUZQAWLSJFLLT-KRWDZBQOSA-N 2 1 290.407 2.150 20 0 CEADMP C[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000390557703 262217394 /nfs/dbraw/zinc/21/73/94/262217394.db2.gz JCTVEDZQZSANGT-HYVNUMGLSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000390557703 262217397 /nfs/dbraw/zinc/21/73/97/262217397.db2.gz JCTVEDZQZSANGT-HYVNUMGLSA-N 2 1 275.440 2.224 20 0 CEADMP C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@H]1CCOC1 ZINC000438117659 263044435 /nfs/dbraw/zinc/04/44/35/263044435.db2.gz GMXLYOCATHWYJS-UXLLHSPISA-N 2 1 278.440 2.362 20 0 CEADMP C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@H]1CCOC1 ZINC000438117659 263044436 /nfs/dbraw/zinc/04/44/36/263044436.db2.gz GMXLYOCATHWYJS-UXLLHSPISA-N 2 1 278.440 2.362 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000414775749 263044557 /nfs/dbraw/zinc/04/45/57/263044557.db2.gz GQOAAZSQHRFJAG-HZPDHXFCSA-N 2 1 290.455 2.341 20 0 CEADMP CC[C@@H](C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)[NH+](CC)CC ZINC000452575544 263116003 /nfs/dbraw/zinc/11/60/03/263116003.db2.gz YBYTWZNUMBUAKG-ZBFHGGJFSA-N 2 1 295.471 2.050 20 0 CEADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCCC1 ZINC000453359590 263249947 /nfs/dbraw/zinc/24/99/47/263249947.db2.gz AMHHKWCBRYTGGA-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP CS[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000425363212 264136047 /nfs/dbraw/zinc/13/60/47/264136047.db2.gz WEWFGLSFRFHLCD-GJZGRUSLSA-N 2 1 286.485 2.359 20 0 CEADMP CCN(CCC[NH+](CC)CC)Cc1c[nH+]c(N(C)C)n1C ZINC000425387699 264221586 /nfs/dbraw/zinc/22/15/86/264221586.db2.gz VMGNIHGCFXMFOW-UHFFFAOYSA-N 2 1 295.475 2.040 20 0 CEADMP COc1ccc(OCCC[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442791019 265000974 /nfs/dbraw/zinc/00/09/74/265000974.db2.gz MYZYIJVCDLXZIY-UONOGXRCSA-N 2 1 278.396 2.133 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000189714286 270263709 /nfs/dbraw/zinc/26/37/09/270263709.db2.gz KJUMEXLFFFYLPC-CYBMUJFWSA-N 2 1 263.385 2.195 20 0 CEADMP CC[C@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000192835094 270280778 /nfs/dbraw/zinc/28/07/78/270280778.db2.gz RWXZQQXOYVQFEX-DOTOQJQBSA-N 2 1 276.424 2.354 20 0 CEADMP CC[C@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000192835094 270280780 /nfs/dbraw/zinc/28/07/80/270280780.db2.gz RWXZQQXOYVQFEX-DOTOQJQBSA-N 2 1 276.424 2.354 20 0 CEADMP CC[C@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000192835094 270280782 /nfs/dbraw/zinc/28/07/82/270280782.db2.gz RWXZQQXOYVQFEX-DOTOQJQBSA-N 2 1 276.424 2.354 20 0 CEADMP CC[C@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000192835094 270280783 /nfs/dbraw/zinc/28/07/83/270280783.db2.gz RWXZQQXOYVQFEX-DOTOQJQBSA-N 2 1 276.424 2.354 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000236712495 270316796 /nfs/dbraw/zinc/31/67/96/270316796.db2.gz RFHUZPLALLXBPW-CABCVRRESA-N 2 1 283.460 2.132 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH3+])CCCCCC1 ZINC000236764119 270317362 /nfs/dbraw/zinc/31/73/62/270317362.db2.gz GAKHRHRLLCZPRM-CQSZACIVSA-N 2 1 281.444 2.029 20 0 CEADMP C[N@@H+](CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])C1CCCC1 ZINC000237143851 270319898 /nfs/dbraw/zinc/31/98/98/270319898.db2.gz ITWHIMJLWZAARO-CVEARBPZSA-N 2 1 295.471 2.275 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)oc1C ZINC000397249404 270352602 /nfs/dbraw/zinc/35/26/02/270352602.db2.gz BZQCVVCWCZJNQG-WZRBSPASSA-N 2 1 294.395 2.180 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)oc1C ZINC000397249404 270352604 /nfs/dbraw/zinc/35/26/04/270352604.db2.gz BZQCVVCWCZJNQG-WZRBSPASSA-N 2 1 294.395 2.180 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+][C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000398030483 270356352 /nfs/dbraw/zinc/35/63/52/270356352.db2.gz NGTIWYIDNGAXRU-ATLSCFEFSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000398096486 270356390 /nfs/dbraw/zinc/35/63/90/270356390.db2.gz KPEARTCZFNXLLH-AHCXZYCDSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)CN1Cc1ccccc1 ZINC000398096486 270356392 /nfs/dbraw/zinc/35/63/92/270356392.db2.gz KPEARTCZFNXLLH-AHCXZYCDSA-N 2 1 287.451 2.237 20 0 CEADMP C[NH2+]CCNc1cc[nH+]c2ccc(Br)cc12 ZINC000420158106 270473764 /nfs/dbraw/zinc/47/37/64/270473764.db2.gz QANSDJAXVPOURM-UHFFFAOYSA-N 2 1 280.169 2.051 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1nccs1 ZINC000423041151 270823325 /nfs/dbraw/zinc/82/33/25/270823325.db2.gz WFOWEQHZMIYJRX-ZJUUUORDSA-N 2 1 262.382 2.405 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000423056060 270824881 /nfs/dbraw/zinc/82/48/81/270824881.db2.gz WWXLXYMTBRIVJV-MKBNYLNASA-N 2 1 290.386 2.364 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1COc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000423121875 270841968 /nfs/dbraw/zinc/84/19/68/270841968.db2.gz JMZCLSRVAAQAOU-GZBFAFLISA-N 2 1 260.381 2.283 20 0 CEADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423322134 270896573 /nfs/dbraw/zinc/89/65/73/270896573.db2.gz NPWNNUKBATXLHQ-OLZOCXBDSA-N 2 1 264.344 2.149 20 0 CEADMP COCCCCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424285149 271040082 /nfs/dbraw/zinc/04/00/82/271040082.db2.gz FHJYVQLUUCJQMY-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP [NH3+]C1(c2noc([C@@H]3CCCC[NH2+]3)n2)CCCCC1 ZINC000424338026 271048104 /nfs/dbraw/zinc/04/81/04/271048104.db2.gz MLEYYXXFDGHYMF-JTQLQIEISA-N 2 1 250.346 2.002 20 0 CEADMP CC[C@@H](C)[C@H]([NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424342101 271049580 /nfs/dbraw/zinc/04/95/80/271049580.db2.gz XBQDFSRMGBXDKT-ZJUUUORDSA-N 2 1 252.362 2.234 20 0 CEADMP COCC(C)(C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000426415495 271219710 /nfs/dbraw/zinc/21/97/10/271219710.db2.gz DMRLWIPBQGCLNI-AWEZNQCLSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000427862955 271239176 /nfs/dbraw/zinc/23/91/76/271239176.db2.gz HSYNXWHFNLOVQY-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000427862955 271239179 /nfs/dbraw/zinc/23/91/79/271239179.db2.gz HSYNXWHFNLOVQY-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000427862955 271239183 /nfs/dbraw/zinc/23/91/83/271239183.db2.gz HSYNXWHFNLOVQY-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCc1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428040431 271240614 /nfs/dbraw/zinc/24/06/14/271240614.db2.gz WGUFVZTXVQFUIL-IRXDYDNUSA-N 2 1 258.409 2.475 20 0 CEADMP C[C@H]1C[C@H]1[N@H+]1CCN(CC[NH+]2CCC(C)CC2)C[C@H](C)C1 ZINC000428999585 271304501 /nfs/dbraw/zinc/30/45/01/271304501.db2.gz SHQAKJADBBEZLZ-OKZBNKHCSA-N 2 1 293.499 2.380 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1(O)CCCC1 ZINC000429251019 271317057 /nfs/dbraw/zinc/31/70/57/271317057.db2.gz BTDVTIAMALQUIV-UHFFFAOYSA-N 2 1 279.428 2.463 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1(O)CCCC1 ZINC000429251019 271317059 /nfs/dbraw/zinc/31/70/59/271317059.db2.gz BTDVTIAMALQUIV-UHFFFAOYSA-N 2 1 279.428 2.463 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)CC1 ZINC000429528809 271336496 /nfs/dbraw/zinc/33/64/96/271336496.db2.gz NKKZKQHUZWOTGR-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000430541207 271387362 /nfs/dbraw/zinc/38/73/62/271387362.db2.gz AZLCSSUXEWILDO-INIZCTEOSA-N 2 1 291.439 2.194 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000430541207 271387363 /nfs/dbraw/zinc/38/73/63/271387363.db2.gz AZLCSSUXEWILDO-INIZCTEOSA-N 2 1 291.439 2.194 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430545673 271387733 /nfs/dbraw/zinc/38/77/33/271387733.db2.gz IKEWRUPSZCYAPD-INIZCTEOSA-N 2 1 293.386 2.180 20 0 CEADMP C[C@@](C[NH3+])([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C1CC1 ZINC000430570829 271392110 /nfs/dbraw/zinc/39/21/10/271392110.db2.gz CHUZSWINNGRETF-HNNXBMFYSA-N 2 1 296.798 2.328 20 0 CEADMP Cc1ccccc1OCCC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430580053 271394026 /nfs/dbraw/zinc/39/40/26/271394026.db2.gz HDMIETQDTHTAIT-INIZCTEOSA-N 2 1 262.397 2.481 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NCc1cccs1 ZINC000430594268 271396752 /nfs/dbraw/zinc/39/67/52/271396752.db2.gz QIRYEDIEJMCDRL-JSGCOSHPSA-N 2 1 297.468 2.058 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NCc1cccs1 ZINC000430594268 271396754 /nfs/dbraw/zinc/39/67/54/271396754.db2.gz QIRYEDIEJMCDRL-JSGCOSHPSA-N 2 1 297.468 2.058 20 0 CEADMP CCOC(=O)CC1([NH2+]CC[C@H]2CCC[N@H+]2C)CCCC1 ZINC000434613674 271597022 /nfs/dbraw/zinc/59/70/22/271597022.db2.gz DYUAGALOTJOUTN-CQSZACIVSA-N 2 1 282.428 2.326 20 0 CEADMP CC(C)[NH2+]C1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000182890811 273539685 /nfs/dbraw/zinc/53/96/85/273539685.db2.gz AOQGWDDAJFFQOC-IAGOWNOFSA-N 2 1 274.408 2.107 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C2 ZINC000414180531 274154275 /nfs/dbraw/zinc/15/42/75/274154275.db2.gz LLKWKPMIVMRFDX-GKLJAUDBSA-N 2 1 288.435 2.481 20 0 CEADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)OC1CCCCCC1 ZINC000357083800 275393458 /nfs/dbraw/zinc/39/34/58/275393458.db2.gz QHMBBHCCYTXAFV-GJZGRUSLSA-N 2 1 266.429 2.267 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCCS1 ZINC000250876904 275395567 /nfs/dbraw/zinc/39/55/67/275395567.db2.gz UICPBKZDGRCAFJ-HZSPNIEDSA-N 2 1 254.443 2.489 20 0 CEADMP CCC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000343616247 276044464 /nfs/dbraw/zinc/04/44/64/276044464.db2.gz URRZUQXSMHSXKZ-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000338290211 276096530 /nfs/dbraw/zinc/09/65/30/276096530.db2.gz LHAJAUCDLQYFIE-HUUCEWRRSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000338290211 276096531 /nfs/dbraw/zinc/09/65/31/276096531.db2.gz LHAJAUCDLQYFIE-HUUCEWRRSA-N 2 1 270.461 2.447 20 0 CEADMP CC1(C)CCCC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000094279918 276103736 /nfs/dbraw/zinc/10/37/36/276103736.db2.gz SMLBBQILPUDEAF-ILXRZTDVSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CCCC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000094279918 276103739 /nfs/dbraw/zinc/10/37/39/276103739.db2.gz SMLBBQILPUDEAF-ILXRZTDVSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000094309091 276109648 /nfs/dbraw/zinc/10/96/48/276109648.db2.gz VJEOSIXYAGSBFX-MCIONIFRSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000094309091 276109650 /nfs/dbraw/zinc/10/96/50/276109650.db2.gz VJEOSIXYAGSBFX-MCIONIFRSA-N 2 1 252.402 2.018 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000121691110 276148714 /nfs/dbraw/zinc/14/87/14/276148714.db2.gz FVGPWBSPKGGKRI-RDJZCZTQSA-N 3 1 281.488 2.428 20 0 CEADMP CCN1CC[C@H]([NH2+]CCC2CC[NH+](CC)CC2)[C@@H](C)C1 ZINC000121691110 276148716 /nfs/dbraw/zinc/14/87/16/276148716.db2.gz FVGPWBSPKGGKRI-RDJZCZTQSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(O)CCCCCC2)[C@@H](C)C1 ZINC000305168986 276228239 /nfs/dbraw/zinc/22/82/39/276228239.db2.gz ZFFYRTOJORARMH-GJZGRUSLSA-N 2 1 268.445 2.392 20 0 CEADMP CCC[N@@H+](CCOCC[NH3+])[C@H]1CCc2ccccc21 ZINC000357105898 276254359 /nfs/dbraw/zinc/25/43/59/276254359.db2.gz OMVHMRUOYBYHBQ-INIZCTEOSA-N 2 1 262.397 2.361 20 0 CEADMP CCC[NH+]1CCC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000355406182 276257281 /nfs/dbraw/zinc/25/72/81/276257281.db2.gz DJSPGSMZWVCMKY-GASCZTMLSA-N 2 1 295.471 2.097 20 0 CEADMP CCOC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000336796583 276308786 /nfs/dbraw/zinc/30/87/86/276308786.db2.gz UIAIUJDAIPVRAC-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)C12CCC2 ZINC000087710465 276344264 /nfs/dbraw/zinc/34/42/64/276344264.db2.gz ZITICZDGAPBRBE-HUUCEWRRSA-N 2 1 266.429 2.408 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C1(C)C ZINC000368451642 276345138 /nfs/dbraw/zinc/34/51/38/276345138.db2.gz XFKQALFDXDNOAX-BFHYXJOUSA-N 2 1 277.412 2.239 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C12CCC2 ZINC000156553781 276353519 /nfs/dbraw/zinc/35/35/19/276353519.db2.gz PLIPFZVHKXTYIY-APIJFGDWSA-N 2 1 266.429 2.406 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C12CCC2 ZINC000156553781 276353520 /nfs/dbraw/zinc/35/35/20/276353520.db2.gz PLIPFZVHKXTYIY-APIJFGDWSA-N 2 1 266.429 2.406 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)C12CCCC2 ZINC000401838825 276490458 /nfs/dbraw/zinc/49/04/58/276490458.db2.gz MLLHYKOQIJOLEE-GJZGRUSLSA-N 2 1 277.412 2.290 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000338322878 277062260 /nfs/dbraw/zinc/06/22/60/277062260.db2.gz KULDFMBRMWIPSP-JKSUJKDBSA-N 2 1 274.408 2.454 20 0 CEADMP COCC1(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000340445721 277198465 /nfs/dbraw/zinc/19/84/65/277198465.db2.gz ZAILIWZKYYQJAI-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378367115 277354185 /nfs/dbraw/zinc/35/41/85/277354185.db2.gz DDCNUHBUICRFRF-HNNXBMFYSA-N 2 1 267.461 2.133 20 0 CEADMP COC(=O)[C@@]1(C)CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000412118904 277376705 /nfs/dbraw/zinc/37/67/05/277376705.db2.gz ZUTHDCUJVKPRNT-HOCLYGCPSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)[C@@]1(C)CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000412118904 277376706 /nfs/dbraw/zinc/37/67/06/277376706.db2.gz ZUTHDCUJVKPRNT-HOCLYGCPSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)[C@@]1(C)CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000412118904 277376708 /nfs/dbraw/zinc/37/67/08/277376708.db2.gz ZUTHDCUJVKPRNT-HOCLYGCPSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000336810926 278028855 /nfs/dbraw/zinc/02/88/55/278028855.db2.gz KBWUJYJVVHXVKL-KKOKHZNYSA-N 2 1 280.334 2.169 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000336810926 278028857 /nfs/dbraw/zinc/02/88/57/278028857.db2.gz KBWUJYJVVHXVKL-KKOKHZNYSA-N 2 1 280.334 2.169 20 0 CEADMP C[C@@H](CC[NH3+])[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC000414891641 278230913 /nfs/dbraw/zinc/23/09/13/278230913.db2.gz VWFNVALVGVWPCL-ZJUUUORDSA-N 2 1 253.415 2.095 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089145260 278341966 /nfs/dbraw/zinc/34/19/66/278341966.db2.gz UCKZTYLNCKMQGH-HIFRSBDPSA-N 3 1 267.461 2.356 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357846708 288076304 /nfs/dbraw/zinc/07/63/04/288076304.db2.gz IFGHAVGMBLDYDC-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357846708 288076305 /nfs/dbraw/zinc/07/63/05/288076305.db2.gz IFGHAVGMBLDYDC-CABCVRRESA-N 3 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357846708 288076307 /nfs/dbraw/zinc/07/63/07/288076307.db2.gz IFGHAVGMBLDYDC-CABCVRRESA-N 3 1 267.461 2.038 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CC2CCCC2)C1 ZINC000249063819 279036560 /nfs/dbraw/zinc/03/65/60/279036560.db2.gz JXXCJFQHXULHSS-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000249063819 279036562 /nfs/dbraw/zinc/03/65/62/279036562.db2.gz JXXCJFQHXULHSS-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000249063819 279036564 /nfs/dbraw/zinc/03/65/64/279036564.db2.gz JXXCJFQHXULHSS-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP Cc1n[nH]cc1C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000375395552 279060516 /nfs/dbraw/zinc/06/05/16/279060516.db2.gz XNIUTQINHPBICT-HNNXBMFYSA-N 2 1 276.428 2.382 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC1(C[NH+](C)C)CCCC1 ZINC000183955952 288103288 /nfs/dbraw/zinc/10/32/88/288103288.db2.gz UJLDGFLYTKZJBL-OAGGEKHMSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183955952 288103291 /nfs/dbraw/zinc/10/32/91/288103291.db2.gz UJLDGFLYTKZJBL-OAGGEKHMSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183955952 288103294 /nfs/dbraw/zinc/10/32/94/288103294.db2.gz UJLDGFLYTKZJBL-OAGGEKHMSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305282253 279121544 /nfs/dbraw/zinc/12/15/44/279121544.db2.gz CEWVOWYGVJKWKE-HRCADAONSA-N 2 1 268.445 2.248 20 0 CEADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353594623 279161165 /nfs/dbraw/zinc/16/11/65/279161165.db2.gz NIYYTGUUJORGEL-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](C[C@H]1CCCO1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000359673401 279372555 /nfs/dbraw/zinc/37/25/55/279372555.db2.gz ITAVOTNFODGMTF-IUODEOHRSA-N 2 1 252.402 2.160 20 0 CEADMP FC(F)(F)[C@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000414898893 279441618 /nfs/dbraw/zinc/44/16/18/279441618.db2.gz FGQXDNCMOPSETP-DCAQKATOSA-N 2 1 250.308 2.449 20 0 CEADMP C[C@@H](Cn1cccn1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000137960064 280070081 /nfs/dbraw/zinc/07/00/81/280070081.db2.gz VOMMNCFSHRKTGD-LSDHHAIUSA-N 2 1 264.417 2.126 20 0 CEADMP CCCC[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000222899833 280212135 /nfs/dbraw/zinc/21/21/35/280212135.db2.gz LOPJQHPWVAZMOR-HOCLYGCPSA-N 3 1 267.461 2.323 20 0 CEADMP C[C@@H]1CC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C[C@@H](C)O1 ZINC000245583361 280251667 /nfs/dbraw/zinc/25/16/67/280251667.db2.gz IJCSMLYLFRNKJQ-WPLOAARJSA-N 2 1 254.418 2.261 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246532368 280299249 /nfs/dbraw/zinc/29/92/49/280299249.db2.gz VLVOLUZBMAROFH-MCIONIFRSA-N 2 1 256.434 2.102 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000247033795 280318511 /nfs/dbraw/zinc/31/85/11/280318511.db2.gz MJCDEQZWFGCEDG-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000247033795 280318515 /nfs/dbraw/zinc/31/85/15/280318515.db2.gz MJCDEQZWFGCEDG-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000247033795 280318516 /nfs/dbraw/zinc/31/85/16/280318516.db2.gz MJCDEQZWFGCEDG-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000247033795 280318517 /nfs/dbraw/zinc/31/85/17/280318517.db2.gz MJCDEQZWFGCEDG-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000247033795 280318519 /nfs/dbraw/zinc/31/85/19/280318519.db2.gz MJCDEQZWFGCEDG-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000247033795 280318521 /nfs/dbraw/zinc/31/85/21/280318521.db2.gz MJCDEQZWFGCEDG-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000247033795 280318523 /nfs/dbraw/zinc/31/85/23/280318523.db2.gz MJCDEQZWFGCEDG-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247110203 280320557 /nfs/dbraw/zinc/32/05/57/280320557.db2.gz TUDIKTFFNQDYDM-QBPKDAKJSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247110203 280320558 /nfs/dbraw/zinc/32/05/58/280320558.db2.gz TUDIKTFFNQDYDM-QBPKDAKJSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247110203 280320559 /nfs/dbraw/zinc/32/05/59/280320559.db2.gz TUDIKTFFNQDYDM-QBPKDAKJSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247110203 280320560 /nfs/dbraw/zinc/32/05/60/280320560.db2.gz TUDIKTFFNQDYDM-QBPKDAKJSA-N 3 1 281.488 2.425 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247110203 280320561 /nfs/dbraw/zinc/32/05/61/280320561.db2.gz TUDIKTFFNQDYDM-QBPKDAKJSA-N 3 1 281.488 2.425 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247110203 280320562 /nfs/dbraw/zinc/32/05/62/280320562.db2.gz TUDIKTFFNQDYDM-QBPKDAKJSA-N 3 1 281.488 2.425 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247110203 280320563 /nfs/dbraw/zinc/32/05/63/280320563.db2.gz TUDIKTFFNQDYDM-QBPKDAKJSA-N 3 1 281.488 2.425 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247185978 280322482 /nfs/dbraw/zinc/32/24/82/280322482.db2.gz ZQAXZANZPZVFOZ-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000249105394 280384761 /nfs/dbraw/zinc/38/47/61/280384761.db2.gz PEUZHFYJIYYXLD-OIYCOIKZSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000249105394 280384762 /nfs/dbraw/zinc/38/47/62/280384762.db2.gz PEUZHFYJIYYXLD-OIYCOIKZSA-N 2 1 252.402 2.016 20 0 CEADMP CN1CC[NH2+]C[C@@H]1CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000394775113 280669852 /nfs/dbraw/zinc/66/98/52/280669852.db2.gz HJFVRTPIDBIHDK-GFCCVEGCSA-N 2 1 290.798 2.204 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1c[nH+]ccc1N ZINC000422869913 280940642 /nfs/dbraw/zinc/94/06/42/280940642.db2.gz BAOPLBIXSPSZNI-ZWNOBZJWSA-N 2 1 251.399 2.430 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)[C@@H]1CCC[NH2+]1 ZINC000423032975 281003672 /nfs/dbraw/zinc/00/36/72/281003672.db2.gz NWDRUAALETZZSL-SKDRFNHKSA-N 2 1 272.314 2.377 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000423141689 281019760 /nfs/dbraw/zinc/01/97/60/281019760.db2.gz RIQAZPZCTSBIQY-ILXRZTDVSA-N 2 1 255.450 2.214 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000423330553 281023730 /nfs/dbraw/zinc/02/37/30/281023730.db2.gz CDDQGBIUITXARK-MAZHCROVSA-N 2 1 287.407 2.063 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1(C)C ZINC000423405621 281031139 /nfs/dbraw/zinc/03/11/39/281031139.db2.gz ZVLIIJWPBBQRBT-ZOBORPQBSA-N 2 1 254.418 2.309 20 0 CEADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](C)C[NH3+] ZINC000423406490 281031669 /nfs/dbraw/zinc/03/16/69/281031669.db2.gz UTDGFTMWYVMRMK-BDAKNGLRSA-N 2 1 289.192 2.456 20 0 CEADMP COC[C@]1(C[NH2+][C@@H]2CCCc3ccccc32)CCC[NH2+]1 ZINC000423415598 281034865 /nfs/dbraw/zinc/03/48/65/281034865.db2.gz DVLKUGMATBLXHO-IAGOWNOFSA-N 2 1 274.408 2.422 20 0 CEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)c(Cl)c1 ZINC000423420545 281036805 /nfs/dbraw/zinc/03/68/05/281036805.db2.gz BNKMOOWXYRLLNV-PZWLIILKSA-N 2 1 254.736 2.348 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423465659 281049168 /nfs/dbraw/zinc/04/91/68/281049168.db2.gz MXIMDPIMKCFMSG-CVEARBPZSA-N 2 1 287.411 2.045 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c(C)c1 ZINC000423511911 281057022 /nfs/dbraw/zinc/05/70/22/281057022.db2.gz KODBSDPKPZJHSX-GJZGRUSLSA-N 2 1 262.397 2.333 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000423768585 281086984 /nfs/dbraw/zinc/08/69/84/281086984.db2.gz BKVGINUCCRUBGA-HUUCEWRRSA-N 2 1 295.471 2.084 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000424274432 281141681 /nfs/dbraw/zinc/14/16/81/281141681.db2.gz YWYOORCMYJZPMI-YMAMQOFZSA-N 2 1 282.428 2.038 20 0 CEADMP CC(C)CCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000429050225 281220870 /nfs/dbraw/zinc/22/08/70/281220870.db2.gz RXMXVUHCUZRWCR-UHFFFAOYSA-N 2 1 256.434 2.201 20 0 CEADMP C[N@@H+](CCCNC(=O)C1CCC1)CC[C@@H]1CCCC[NH+]1C ZINC000429532562 281240557 /nfs/dbraw/zinc/24/05/57/281240557.db2.gz UURDHCMKJBQJHI-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](CCCNC(=O)C1CCC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000429532562 281240558 /nfs/dbraw/zinc/24/05/58/281240558.db2.gz UURDHCMKJBQJHI-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](CCCNC(=O)C1CCC1)CC[C@@H]1CCCC[N@H+]1C ZINC000429532562 281240560 /nfs/dbraw/zinc/24/05/60/281240560.db2.gz UURDHCMKJBQJHI-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430926736 281281141 /nfs/dbraw/zinc/28/11/41/281281141.db2.gz GYCIKZPXKLWRSJ-LBPRGKRZSA-N 2 1 295.814 2.210 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)[C@@H]1CCCSC1 ZINC000433181981 281374291 /nfs/dbraw/zinc/37/42/91/281374291.db2.gz LKEXIBZOSDORII-OAHLLOKOSA-N 2 1 297.468 2.162 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000433181981 281374292 /nfs/dbraw/zinc/37/42/92/281374292.db2.gz LKEXIBZOSDORII-OAHLLOKOSA-N 2 1 297.468 2.162 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)NC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435387521 281387031 /nfs/dbraw/zinc/38/70/31/281387031.db2.gz ANMOCJHJQRASFB-MRXNPFEDSA-N 2 1 289.423 2.010 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000435396326 281388390 /nfs/dbraw/zinc/38/83/90/281388390.db2.gz YBTXPWXPJARCNE-CYBMUJFWSA-N 2 1 288.395 2.410 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000435396326 281388392 /nfs/dbraw/zinc/38/83/92/281388392.db2.gz YBTXPWXPJARCNE-CYBMUJFWSA-N 2 1 288.395 2.410 20 0 CEADMP CCn1ccnc1C[N@@H+](CC1CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435428079 281389635 /nfs/dbraw/zinc/38/96/35/281389635.db2.gz QBFOIFLFZQIJSF-HNNXBMFYSA-N 2 1 288.439 2.257 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000347511848 282014727 /nfs/dbraw/zinc/01/47/27/282014727.db2.gz CKDIHCWCWCKCDH-MJBXVCDLSA-N 2 1 283.460 2.094 20 0 CEADMP C[NH+](C)C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000125888116 282045204 /nfs/dbraw/zinc/04/52/04/282045204.db2.gz ZWYMGYWVJNRUGG-HUUCEWRRSA-N 2 1 265.445 2.077 20 0 CEADMP Cc1[nH+]c2ccccc2c(N2CC[N@@H+](CCO)[C@@H](C)C2)c1C ZINC000302488987 282073026 /nfs/dbraw/zinc/07/30/26/282073026.db2.gz ZDPVINDYRVGVPT-ZDUSSCGKSA-N 2 1 299.418 2.354 20 0 CEADMP C[NH+](C)C1(CN[C@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCCC1 ZINC000353452183 289062673 /nfs/dbraw/zinc/06/26/73/289062673.db2.gz YLCCXHOQPFMRHU-OWCLPIDISA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000158241879 289230510 /nfs/dbraw/zinc/23/05/10/289230510.db2.gz KTENCPRTBNMCMY-ZIAGYGMSSA-N 2 1 264.417 2.456 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000158241879 289230511 /nfs/dbraw/zinc/23/05/11/289230511.db2.gz KTENCPRTBNMCMY-ZIAGYGMSSA-N 2 1 264.417 2.456 20 0 CEADMP COCC[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158681093 289238503 /nfs/dbraw/zinc/23/85/03/289238503.db2.gz QCGDRQSHUYEBKS-ZNMIVQPWSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCCCCC1 ZINC000346195180 289251972 /nfs/dbraw/zinc/25/19/72/289251972.db2.gz VTYIIBUXINHHSF-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(=O)N(C)C ZINC000357845284 289939805 /nfs/dbraw/zinc/93/98/05/289939805.db2.gz HFFGMAGIUPXSCE-IJEWVQPXSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCCO1 ZINC000356696381 290019568 /nfs/dbraw/zinc/01/95/68/290019568.db2.gz LWTUISWJRISYEB-GBJTYRQASA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]([NH2+]CCc1cn[nH]c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459405814 290138984 /nfs/dbraw/zinc/13/89/84/290138984.db2.gz NRGOSGKDLJHYNY-DZGCQCFKSA-N 2 1 276.428 2.195 20 0 CEADMP C[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC[C@@H]1O ZINC000459432623 290147567 /nfs/dbraw/zinc/14/75/67/290147567.db2.gz SIGMFUCDMHXDRR-JKSUJKDBSA-N 2 1 266.429 2.144 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000459656152 290205619 /nfs/dbraw/zinc/20/56/19/290205619.db2.gz FPVUYZXALHROCF-XJKSGUPXSA-N 2 1 272.396 2.154 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)CO)[C@H]2CCC[C@H]21 ZINC000367615816 290217275 /nfs/dbraw/zinc/21/72/75/290217275.db2.gz MGKJPKQSEARGDU-QLFBSQMISA-N 2 1 268.445 2.248 20 0 CEADMP COc1cc(C)nc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459725162 290218559 /nfs/dbraw/zinc/21/85/59/290218559.db2.gz FQGXEEWHNRQFMB-AWEZNQCLSA-N 2 1 277.412 2.220 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnn3ccccc23)C1 ZINC000459727949 290219156 /nfs/dbraw/zinc/21/91/56/290219156.db2.gz HTVONXPHQPDMOC-AWEZNQCLSA-N 2 1 272.396 2.156 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000459734925 290221404 /nfs/dbraw/zinc/22/14/04/290221404.db2.gz OYHLVFLLGJHFNT-ZDUSSCGKSA-N 2 1 272.396 2.384 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@H]1SC ZINC000459771349 290234025 /nfs/dbraw/zinc/23/40/25/290234025.db2.gz IIEBPHZSMBNNEU-BYNSBNAKSA-N 2 1 286.485 2.217 20 0 CEADMP CCC1(CC)[C@@H]([NH2+]CCc2c[nH+]cn2C)C[C@@H]1OC ZINC000471761810 290282200 /nfs/dbraw/zinc/28/22/00/290282200.db2.gz RQURDYZFIGTZEY-KBPBESRZSA-N 2 1 265.401 2.146 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000488418171 290396985 /nfs/dbraw/zinc/39/69/85/290396985.db2.gz MYMOSFNHMPCEQM-OLZOCXBDSA-N 2 1 253.415 2.311 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2CN2CCCCC2)CC[NH2+]1 ZINC000414685908 297251924 /nfs/dbraw/zinc/25/19/24/297251924.db2.gz DZNNVFCYVJSPCM-IXDOHACOSA-N 2 1 279.472 2.325 20 0 CEADMP FC(F)(F)COCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000521978833 297652416 /nfs/dbraw/zinc/65/24/16/297652416.db2.gz AVXHQHWBHXTJST-UHFFFAOYSA-N 2 1 280.334 2.172 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000530212053 298051084 /nfs/dbraw/zinc/05/10/84/298051084.db2.gz ODSLJSISOAYWNS-UTUOFQBUSA-N 2 1 290.333 2.236 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCOc2ccccc21 ZINC000530407271 298069080 /nfs/dbraw/zinc/06/90/80/298069080.db2.gz JWUBZRAUAFXMBC-HNNXBMFYSA-N 2 1 271.364 2.466 20 0 CEADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000530407441 298069111 /nfs/dbraw/zinc/06/91/11/298069111.db2.gz HZBLWDTZHIMLTB-LBPRGKRZSA-N 2 1 286.379 2.272 20 0 CEADMP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000531486269 298108059 /nfs/dbraw/zinc/10/80/59/298108059.db2.gz ADDZKENCSFUJJI-AWEZNQCLSA-N 2 1 290.411 2.009 20 0 CEADMP O[C@@H](C[NH2+][C@H]1CCc2c1cccc2Cl)C[NH+]1CCCC1 ZINC000532212292 298136209 /nfs/dbraw/zinc/13/62/09/298136209.db2.gz GBSZNHSMCYTDQH-LRDDRELGSA-N 2 1 294.826 2.374 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000540432100 298265284 /nfs/dbraw/zinc/26/52/84/298265284.db2.gz DHNLUXUCZWRNDY-CYBMUJFWSA-N 2 1 296.378 2.123 20 0 CEADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000563381374 298767955 /nfs/dbraw/zinc/76/79/55/298767955.db2.gz OGVNCENUVDKDIR-CQSZACIVSA-N 2 1 289.423 2.335 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000566828134 299025610 /nfs/dbraw/zinc/02/56/10/299025610.db2.gz MJIHEUDTDBCZBB-CQSZACIVSA-N 2 1 258.409 2.333 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000567315521 299051852 /nfs/dbraw/zinc/05/18/52/299051852.db2.gz XQRDWWSRJXNCFM-ILXRZTDVSA-N 2 1 255.450 2.179 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000567315521 299051856 /nfs/dbraw/zinc/05/18/56/299051856.db2.gz XQRDWWSRJXNCFM-ILXRZTDVSA-N 2 1 255.450 2.179 20 0 CEADMP Cc1cccc(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000567381107 299059043 /nfs/dbraw/zinc/05/90/43/299059043.db2.gz JMPSGGHNZUNAFK-MRXNPFEDSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1cccc(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000567381107 299059045 /nfs/dbraw/zinc/05/90/45/299059045.db2.gz JMPSGGHNZUNAFK-MRXNPFEDSA-N 2 1 273.424 2.350 20 0 CEADMP CC1CCC(O)(C[NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000567378524 299059121 /nfs/dbraw/zinc/05/91/21/299059121.db2.gz ITESKTYHQBLTIU-UHFFFAOYSA-N 2 1 268.445 2.392 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000514870439 313060595 /nfs/dbraw/zinc/06/05/95/313060595.db2.gz KLPIPFQWUGEVBO-BPQIPLTHSA-N 2 1 290.451 2.425 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000516272756 313085851 /nfs/dbraw/zinc/08/58/51/313085851.db2.gz GBTBOHRCTRWBCZ-FVQBIDKESA-N 2 1 287.407 2.042 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CCC(C)C)CC1 ZINC000517168260 313105181 /nfs/dbraw/zinc/10/51/81/313105181.db2.gz WORYUVOLVPEIHJ-INIZCTEOSA-N 2 1 270.461 2.447 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000527644444 313190468 /nfs/dbraw/zinc/19/04/68/313190468.db2.gz DPDSSPNOKACABU-RCBQFDQVSA-N 2 1 266.429 2.121 20 0 CEADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)OC)c1 ZINC000527918777 313214926 /nfs/dbraw/zinc/21/49/26/313214926.db2.gz HLLFUGRWISNLKJ-XKQJLSEDSA-N 2 1 292.423 2.313 20 0 CEADMP C(C[C@H]1CCCOC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000527928971 313216124 /nfs/dbraw/zinc/21/61/24/313216124.db2.gz VIAHXAARMKUFES-WBVHZDCISA-N 2 1 296.455 2.036 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000533573046 313370090 /nfs/dbraw/zinc/37/00/90/313370090.db2.gz DZNHCQWXRZWWMO-CQSZACIVSA-N 2 1 272.396 2.384 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000533573046 313370092 /nfs/dbraw/zinc/37/00/92/313370092.db2.gz DZNHCQWXRZWWMO-CQSZACIVSA-N 2 1 272.396 2.384 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000533573046 313370096 /nfs/dbraw/zinc/37/00/96/313370096.db2.gz DZNHCQWXRZWWMO-CQSZACIVSA-N 2 1 272.396 2.384 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C1CCc2ccccc2CC1 ZINC000567015493 313880344 /nfs/dbraw/zinc/88/03/44/313880344.db2.gz PJHYSSWTWVIXFZ-UHFFFAOYSA-N 2 1 269.392 2.500 20 0 CEADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)CC(C)C ZINC000567486024 313898120 /nfs/dbraw/zinc/89/81/20/313898120.db2.gz XXLDAWZSELPUFA-CVEARBPZSA-N 2 1 297.487 2.199 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)Cc1ccccc1 ZINC000569475626 313997528 /nfs/dbraw/zinc/99/75/28/313997528.db2.gz KMGZASHBMYRTOS-QGZVFWFLSA-N 2 1 287.407 2.165 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)C1CCCCC1 ZINC000569700105 314011014 /nfs/dbraw/zinc/01/10/14/314011014.db2.gz GGBRNNBZBZGHEZ-KKUMJFAQSA-N 2 1 254.418 2.035 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NC4C[NH2+]C4)[C@@H]3C2)cc1 ZINC000570035732 314024268 /nfs/dbraw/zinc/02/42/68/314024268.db2.gz OTGZGYCGFNBCAX-QXAKKESOSA-N 2 1 299.462 2.239 20 0 CEADMP CCCCOCC[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000570939867 314064360 /nfs/dbraw/zinc/06/43/60/314064360.db2.gz NOGVVWCAHJPTFW-ZDUSSCGKSA-N 2 1 251.374 2.026 20 0 CEADMP CO[C@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000571844645 314107571 /nfs/dbraw/zinc/10/75/71/314107571.db2.gz LTOLYGAOJOOFCF-KKUMJFAQSA-N 2 1 254.418 2.408 20 0 CEADMP CCc1noc(CC)c1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000571908327 314110422 /nfs/dbraw/zinc/11/04/22/314110422.db2.gz XPPXVBYEFLAPTE-BXUZGUMPSA-N 2 1 265.401 2.277 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1C ZINC000572140508 314121130 /nfs/dbraw/zinc/12/11/30/314121130.db2.gz MXDPYQMNOQKHIB-DJIMGWMZSA-N 2 1 290.455 2.482 20 0 CEADMP COCCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000573016420 314136553 /nfs/dbraw/zinc/13/65/53/314136553.db2.gz RCIXPAQBBIWXAY-DZGCQCFKSA-N 2 1 278.396 2.023 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2cncn2C)[C@@H](C)C1 ZINC000573574092 314169971 /nfs/dbraw/zinc/16/99/71/314169971.db2.gz JRPATJQGLJNHTE-HOCLYGCPSA-N 2 1 278.444 2.015 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2cncn2C)[C@@H](C)C1 ZINC000573574092 314169973 /nfs/dbraw/zinc/16/99/73/314169973.db2.gz JRPATJQGLJNHTE-HOCLYGCPSA-N 2 1 278.444 2.015 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2cncn2C)[C@@H](C)C1 ZINC000573574092 314169975 /nfs/dbraw/zinc/16/99/75/314169975.db2.gz JRPATJQGLJNHTE-HOCLYGCPSA-N 2 1 278.444 2.015 20 0 CEADMP CCC[C@H](C)[C@H](CO)[NH2+]CCCCn1cc[nH+]c1C ZINC000574210273 314197208 /nfs/dbraw/zinc/19/72/08/314197208.db2.gz QTRLWNQDDVOGLV-ZFWWWQNUSA-N 2 1 267.417 2.358 20 0 CEADMP COc1ccc2c(c1)CCC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000576107944 314242032 /nfs/dbraw/zinc/24/20/32/314242032.db2.gz FEBOIPHARUUPNM-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP Cc1ccccc1CCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000576466072 314278626 /nfs/dbraw/zinc/27/86/26/314278626.db2.gz NDIGMOPHFNNOED-DLBZAZTESA-N 2 1 258.409 2.469 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)CC1(C)CC1 ZINC000576742246 314306265 /nfs/dbraw/zinc/30/62/65/314306265.db2.gz FVEIZBDTVUHISW-HNNXBMFYSA-N 2 1 267.461 2.134 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)C1 ZINC000389951204 321893231 /nfs/dbraw/zinc/89/32/31/321893231.db2.gz XIWFMMUHJIVNRP-CVEARBPZSA-N 2 1 284.407 2.291 20 0 CEADMP CC[C@@H]1C[N@H+](C)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000580366981 322313578 /nfs/dbraw/zinc/31/35/78/322313578.db2.gz QQWVHEGFLZVJQD-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000580366981 322313579 /nfs/dbraw/zinc/31/35/79/322313579.db2.gz QQWVHEGFLZVJQD-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H]1C[N@H+](C)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000580366979 322313764 /nfs/dbraw/zinc/31/37/64/322313764.db2.gz QQWVHEGFLZVJQD-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000580366979 322313766 /nfs/dbraw/zinc/31/37/66/322313766.db2.gz QQWVHEGFLZVJQD-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000580506697 322321333 /nfs/dbraw/zinc/32/13/33/322321333.db2.gz VBKPKUXNTNZBEI-IUODEOHRSA-N 2 1 272.396 2.003 20 0 CEADMP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000580952491 322357047 /nfs/dbraw/zinc/35/70/47/322357047.db2.gz HECHQZTYROUYIB-YESZJQIVSA-N 2 1 273.424 2.156 20 0 CEADMP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000580952488 322357164 /nfs/dbraw/zinc/35/71/64/322357164.db2.gz HECHQZTYROUYIB-BRWVUGGUSA-N 2 1 273.424 2.156 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)C(C)C ZINC000581251341 322381273 /nfs/dbraw/zinc/38/12/73/322381273.db2.gz OFRCKMQZDKPNGN-DOTOQJQBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)C(C)C ZINC000581251341 322381275 /nfs/dbraw/zinc/38/12/75/322381275.db2.gz OFRCKMQZDKPNGN-DOTOQJQBSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)cn1 ZINC000581602021 322409505 /nfs/dbraw/zinc/40/95/05/322409505.db2.gz OBDSNQOWBAONQQ-LBPRGKRZSA-N 2 1 256.353 2.091 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](C)O)C2)s1 ZINC000584176105 327058718 /nfs/dbraw/zinc/05/87/18/327058718.db2.gz WIXWWGCYWDLNTO-TZMCWYRMSA-N 2 1 282.453 2.191 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](C)O)C2)s1 ZINC000584176105 327058720 /nfs/dbraw/zinc/05/87/20/327058720.db2.gz WIXWWGCYWDLNTO-TZMCWYRMSA-N 2 1 282.453 2.191 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](C)O)C2)s1 ZINC000584176105 327058722 /nfs/dbraw/zinc/05/87/22/327058722.db2.gz WIXWWGCYWDLNTO-TZMCWYRMSA-N 2 1 282.453 2.191 20 0 CEADMP CSc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccn1 ZINC000357845952 534169525 /nfs/dbraw/zinc/16/95/25/534169525.db2.gz CAWGQCDBQJBRRO-YPMHNXCESA-N 2 1 265.426 2.376 20 0 CEADMP CSc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccn1 ZINC000357845952 534169530 /nfs/dbraw/zinc/16/95/30/534169530.db2.gz CAWGQCDBQJBRRO-YPMHNXCESA-N 2 1 265.426 2.376 20 0 CEADMP CCSCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000119235860 517746539 /nfs/dbraw/zinc/74/65/39/517746539.db2.gz JZPRCZUVZRZDCQ-UHFFFAOYSA-N 2 1 267.442 2.428 20 0 CEADMP CC(C)[NH+](CCN[C@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000156243359 519648551 /nfs/dbraw/zinc/64/85/51/519648551.db2.gz QKUMVQOLNOVMAY-GJZGRUSLSA-N 2 1 255.450 2.035 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1Cn1nc(C)nc1C ZINC000365188330 520606702 /nfs/dbraw/zinc/60/67/02/520606702.db2.gz BQJWTLFFZFGADV-MRXNPFEDSA-N 2 1 293.459 2.091 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1Cn1nc(C)nc1C ZINC000365188330 520606712 /nfs/dbraw/zinc/60/67/12/520606712.db2.gz BQJWTLFFZFGADV-MRXNPFEDSA-N 2 1 293.459 2.091 20 0 CEADMP CC[C@@H](C(=O)Nc1cccc2c1CC[N@@H+](CC)C2)[NH+](C)C ZINC000366342014 521872450 /nfs/dbraw/zinc/87/24/50/521872450.db2.gz ZISGQFLXOPGPIH-INIZCTEOSA-N 2 1 289.423 2.343 20 0 CEADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)sc1C ZINC000155694602 522283539 /nfs/dbraw/zinc/28/35/39/522283539.db2.gz QLUIWXSJHRQNMO-SMDDNHRTSA-N 2 1 281.469 2.486 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000365872860 523747172 /nfs/dbraw/zinc/74/71/72/523747172.db2.gz WTKQVISHBGKITH-OWCLPIDISA-N 2 1 276.424 2.186 20 0 CEADMP Cc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000374234138 524461889 /nfs/dbraw/zinc/46/18/89/524461889.db2.gz IABLBPXSVMXVAK-SFHVURJKSA-N 2 1 287.451 2.207 20 0 CEADMP Cc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000374234138 524461893 /nfs/dbraw/zinc/46/18/93/524461893.db2.gz IABLBPXSVMXVAK-SFHVURJKSA-N 2 1 287.451 2.207 20 0 CEADMP COc1ccncc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000340402422 524859707 /nfs/dbraw/zinc/85/97/07/524859707.db2.gz GABVZQVMVXQHAL-ZNMIVQPWSA-N 2 1 275.396 2.053 20 0 CEADMP COc1ccncc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000340402422 524859713 /nfs/dbraw/zinc/85/97/13/524859713.db2.gz GABVZQVMVXQHAL-ZNMIVQPWSA-N 2 1 275.396 2.053 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCc1cncs1 ZINC000411865549 527081090 /nfs/dbraw/zinc/08/10/90/527081090.db2.gz HNYBFLSKCVTVBT-UHFFFAOYSA-N 2 1 253.415 2.150 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(F)cc1F ZINC000050973961 527431830 /nfs/dbraw/zinc/43/18/30/527431830.db2.gz FEAWXJOBLXBLSA-UHFFFAOYSA-N 2 1 251.280 2.260 20 0 CEADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)C(=O)OCC ZINC000411651810 528073579 /nfs/dbraw/zinc/07/35/79/528073579.db2.gz UAPMSFBPAHMTHQ-ZDUSSCGKSA-N 2 1 281.400 2.245 20 0 CEADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@@H](C)C(=O)OCC ZINC000411651810 528073584 /nfs/dbraw/zinc/07/35/84/528073584.db2.gz UAPMSFBPAHMTHQ-ZDUSSCGKSA-N 2 1 281.400 2.245 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412053896 528104074 /nfs/dbraw/zinc/10/40/74/528104074.db2.gz GUKCVJXDOYPRKM-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC000357331261 528149121 /nfs/dbraw/zinc/14/91/21/528149121.db2.gz IOPZJJAWQRZPDG-AWEZNQCLSA-N 2 1 297.468 2.384 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC000357331261 528149124 /nfs/dbraw/zinc/14/91/24/528149124.db2.gz IOPZJJAWQRZPDG-AWEZNQCLSA-N 2 1 297.468 2.384 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000357486564 528209249 /nfs/dbraw/zinc/20/92/49/528209249.db2.gz MWRUICWRAFMLNQ-GJZGRUSLSA-N 2 1 297.487 2.390 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)CCC[NH3+] ZINC000417557758 528468173 /nfs/dbraw/zinc/46/81/73/528468173.db2.gz SJVRHSOUVQTBFL-HUUCEWRRSA-N 2 1 298.475 2.068 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CCCO1 ZINC000411636873 528862973 /nfs/dbraw/zinc/86/29/73/528862973.db2.gz YBTSFFLDDNQSCI-CQSZACIVSA-N 2 1 265.401 2.337 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CCCO1 ZINC000411636873 528862977 /nfs/dbraw/zinc/86/29/77/528862977.db2.gz YBTSFFLDDNQSCI-CQSZACIVSA-N 2 1 265.401 2.337 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCC[NH+](C)C ZINC000729281928 574484257 /nfs/dbraw/zinc/48/42/57/574484257.db2.gz HNVXWZCAGNOCBD-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP OCC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000754795763 574605358 /nfs/dbraw/zinc/60/53/58/574605358.db2.gz OQKQHWSNJWFPFK-RDBSUJKOSA-N 2 1 280.437 2.388 20 0 CEADMP OCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccs1 ZINC000754795763 574605359 /nfs/dbraw/zinc/60/53/59/574605359.db2.gz OQKQHWSNJWFPFK-RDBSUJKOSA-N 2 1 280.437 2.388 20 0 CEADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000754795763 574605360 /nfs/dbraw/zinc/60/53/60/574605360.db2.gz OQKQHWSNJWFPFK-RDBSUJKOSA-N 2 1 280.437 2.388 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000733870527 574688930 /nfs/dbraw/zinc/68/89/30/574688930.db2.gz SHSRBUMJNSGCSE-INIZCTEOSA-N 2 1 295.471 2.243 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000734058625 574699506 /nfs/dbraw/zinc/69/95/06/574699506.db2.gz VJGRCFKQGXHPBY-DLBZAZTESA-N 2 1 278.440 2.265 20 0 CEADMP Cc1ccc(C[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000738882397 574883597 /nfs/dbraw/zinc/88/35/97/574883597.db2.gz SHBODGJNCJJLGV-SJLPKXTDSA-N 2 1 290.451 2.315 20 0 CEADMP Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000738882397 574883598 /nfs/dbraw/zinc/88/35/98/574883598.db2.gz SHBODGJNCJJLGV-SJLPKXTDSA-N 2 1 290.451 2.315 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000742197564 575010018 /nfs/dbraw/zinc/01/00/18/575010018.db2.gz SISDJSFREOMWJU-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000742197564 575010019 /nfs/dbraw/zinc/01/00/19/575010019.db2.gz SISDJSFREOMWJU-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000742197565 575010075 /nfs/dbraw/zinc/01/00/75/575010075.db2.gz SISDJSFREOMWJU-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000742197565 575010076 /nfs/dbraw/zinc/01/00/76/575010076.db2.gz SISDJSFREOMWJU-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CC(C)([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000749261385 575211076 /nfs/dbraw/zinc/21/10/76/575211076.db2.gz GGGXWUPOXMKNTO-OAHLLOKOSA-N 2 1 280.387 2.107 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@@]2(C)Br)C1 ZINC000892668618 627375808 /nfs/dbraw/zinc/37/58/08/627375808.db2.gz OUPUWZSJLUVRHR-JHJVBQTASA-N 2 1 289.261 2.481 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000960913141 614857663 /nfs/dbraw/zinc/85/76/63/614857663.db2.gz GDVOSRMIGJOZEU-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000969152321 614891408 /nfs/dbraw/zinc/89/14/08/614891408.db2.gz MLEDWRJYMWJZPL-CQSZACIVSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980485093 614892186 /nfs/dbraw/zinc/89/21/86/614892186.db2.gz FYVLYJJXGARQEU-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000957782847 614993436 /nfs/dbraw/zinc/99/34/36/614993436.db2.gz WHXPLTWAXXFFLM-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947310040 615276494 /nfs/dbraw/zinc/27/64/94/615276494.db2.gz KOUAVOKXNZRXGW-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CC[NH2+]C(C)(C)C ZINC000932757043 623108952 /nfs/dbraw/zinc/10/89/52/623108952.db2.gz QYKXJMGVZQJOHL-CQSZACIVSA-N 2 1 283.460 2.145 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308362907 623674017 /nfs/dbraw/zinc/67/40/17/623674017.db2.gz IDERPVXDOATZLA-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308362907 623674020 /nfs/dbraw/zinc/67/40/20/623674020.db2.gz IDERPVXDOATZLA-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CCN1CCC([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000093678153 623698894 /nfs/dbraw/zinc/69/88/94/623698894.db2.gz QDECHNREFGNTOG-MQVJKMGUSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000093678153 623698900 /nfs/dbraw/zinc/69/89/00/623698900.db2.gz QDECHNREFGNTOG-MQVJKMGUSA-N 3 1 279.472 2.323 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000093678153 623698904 /nfs/dbraw/zinc/69/89/04/623698904.db2.gz QDECHNREFGNTOG-MQVJKMGUSA-N 3 1 279.472 2.323 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000926671868 625676124 /nfs/dbraw/zinc/67/61/24/625676124.db2.gz FKRCEEXHZQWPKR-QGPPMGRFSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H]1CCCC[C@@H]1OCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743154 623989996 /nfs/dbraw/zinc/98/99/96/623989996.db2.gz LIVRTTHCWBBQHX-LUKYLMHMSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H]1CCCC[C@@H]1OCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743154 623989997 /nfs/dbraw/zinc/98/99/97/623989997.db2.gz LIVRTTHCWBBQHX-LUKYLMHMSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H]1CCCC[C@@H]1OCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933743154 623989999 /nfs/dbraw/zinc/98/99/99/623989999.db2.gz LIVRTTHCWBBQHX-LUKYLMHMSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H]1CCCC[C@@H]1OCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933743154 623990003 /nfs/dbraw/zinc/99/00/03/623990003.db2.gz LIVRTTHCWBBQHX-LUKYLMHMSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H]1CCC[N@@H+](CCNc2cc(N)[nH+]cc2Cl)C1 ZINC000891837482 624011416 /nfs/dbraw/zinc/01/14/16/624011416.db2.gz GWAADIVSLWWXOJ-JTQLQIEISA-N 2 1 268.792 2.461 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000891908004 624089924 /nfs/dbraw/zinc/08/99/24/624089924.db2.gz AMXJYYOBNMJOLU-LSDHHAIUSA-N 2 1 298.475 2.020 20 0 CEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1CCCO1 ZINC000093678109 624133296 /nfs/dbraw/zinc/13/32/96/624133296.db2.gz GTTJJCIDADOVDP-DKUMPPAJSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cc1cccnc1 ZINC000934234756 624349230 /nfs/dbraw/zinc/34/92/30/624349230.db2.gz QMDVQPVRAFISSF-CYBMUJFWSA-N 2 1 258.369 2.197 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892223402 624435378 /nfs/dbraw/zinc/43/53/78/624435378.db2.gz IEVWHHHHHZMFRB-INIZCTEOSA-N 2 1 276.428 2.207 20 0 CEADMP CSC1(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000235069187 624577113 /nfs/dbraw/zinc/57/71/13/624577113.db2.gz FXEOQJWFFBAGHZ-UONOGXRCSA-N 2 1 286.485 2.409 20 0 CEADMP CCCCCCNC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849041646 624721195 /nfs/dbraw/zinc/72/11/95/624721195.db2.gz UOEHPGFUHLWXSI-AWEZNQCLSA-N 2 1 268.449 2.413 20 0 CEADMP CC(C)CNC(=[NH2+])NCCC[N@H+]1CCCC[C@@H]1C ZINC000052041128 624739919 /nfs/dbraw/zinc/73/99/19/624739919.db2.gz GGHLMGVXRJBLGJ-ZDUSSCGKSA-N 2 1 254.422 2.021 20 0 CEADMP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(OC)n1 ZINC000926476154 624871161 /nfs/dbraw/zinc/87/11/61/624871161.db2.gz ZAMLMIFUXDSNPQ-STQMWFEESA-N 2 1 265.401 2.329 20 0 CEADMP c1[nH]nc2c1C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CC2 ZINC000820825086 634542076 /nfs/dbraw/zinc/54/20/76/634542076.db2.gz XNXICJYYRFAJFN-WPXLMEDKSA-N 2 1 286.423 2.014 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000892583228 627289675 /nfs/dbraw/zinc/28/96/75/627289675.db2.gz ARZZHUKSDZQEGT-MRXNPFEDSA-N 3 1 281.488 2.430 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000892669130 627378900 /nfs/dbraw/zinc/37/89/00/627378900.db2.gz VXLAVXGRRZFILG-LBPRGKRZSA-N 2 1 278.425 2.217 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000892669130 627378907 /nfs/dbraw/zinc/37/89/07/627378907.db2.gz VXLAVXGRRZFILG-LBPRGKRZSA-N 2 1 278.425 2.217 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C)(O)CC1 ZINC000892669982 627381281 /nfs/dbraw/zinc/38/12/81/627381281.db2.gz YTQKNBDXBQHALL-QVOMUQBLSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C)(O)CC1 ZINC000892669982 627381284 /nfs/dbraw/zinc/38/12/84/627381284.db2.gz YTQKNBDXBQHALL-QVOMUQBLSA-N 2 1 268.445 2.390 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346412 634585884 /nfs/dbraw/zinc/58/58/84/634585884.db2.gz LPSAPCSHCUQQKN-CABCVRRESA-N 2 1 267.461 2.229 20 0 CEADMP CCN1CCCC[C@H]1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346412 634585888 /nfs/dbraw/zinc/58/58/88/634585888.db2.gz LPSAPCSHCUQQKN-CABCVRRESA-N 2 1 267.461 2.229 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC000892946662 627879087 /nfs/dbraw/zinc/87/90/87/627879087.db2.gz JPLHJSZUPCFIIW-NSHDSACASA-N 2 1 268.788 2.477 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC000892946662 627879091 /nfs/dbraw/zinc/87/90/91/627879091.db2.gz JPLHJSZUPCFIIW-NSHDSACASA-N 2 1 268.788 2.477 20 0 CEADMP C[N@@H+](CCCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCCCC1 ZINC000328423918 627882073 /nfs/dbraw/zinc/88/20/73/627882073.db2.gz KXDDDNJRIRQBJT-GCDKYVQMSA-N 2 1 291.483 2.227 20 0 CEADMP Cc1ncc2c(n1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892949408 627884086 /nfs/dbraw/zinc/88/40/86/627884086.db2.gz UTRYKEYBFQYTKP-DSZSVDOYSA-N 2 1 286.423 2.377 20 0 CEADMP Cc1ncc2c(n1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892949408 627884089 /nfs/dbraw/zinc/88/40/89/627884089.db2.gz UTRYKEYBFQYTKP-DSZSVDOYSA-N 2 1 286.423 2.377 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000902358200 634614317 /nfs/dbraw/zinc/61/43/17/634614317.db2.gz BPSCDMKJVCMCNL-HNNXBMFYSA-N 3 1 279.472 2.371 20 0 CEADMP Cc1cc(C[C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)n[nH]1 ZINC000902359558 634616363 /nfs/dbraw/zinc/61/63/63/634616363.db2.gz DIWCQEUHDXDAAH-YPMHNXCESA-N 2 1 264.417 2.017 20 0 CEADMP C1CC1N1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925512719 628046625 /nfs/dbraw/zinc/04/66/25/628046625.db2.gz BJIQTDVYUZXRAL-ROUUACIJSA-N 2 1 291.483 2.371 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C12CCCC2 ZINC000925517315 628061944 /nfs/dbraw/zinc/06/19/44/628061944.db2.gz KNUAWOCSZHSMHG-MGPQQGTHSA-N 2 1 266.429 2.454 20 0 CEADMP Cc1cc(N)nc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000893194498 628117130 /nfs/dbraw/zinc/11/71/30/628117130.db2.gz HEHBWLVEIWUTCA-DOMZBBRYSA-N 2 1 297.406 2.300 20 0 CEADMP Cc1cc(N)nc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000893194498 628117132 /nfs/dbraw/zinc/11/71/32/628117132.db2.gz HEHBWLVEIWUTCA-DOMZBBRYSA-N 2 1 297.406 2.300 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000902392892 634632884 /nfs/dbraw/zinc/63/28/84/634632884.db2.gz LVKHXQUMHFCOGV-KGLIPLIRSA-N 3 1 265.445 2.029 20 0 CEADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCO1 ZINC000893255999 628191171 /nfs/dbraw/zinc/19/11/71/628191171.db2.gz PBIKFJDFTBGVKB-CHZLEKFTSA-N 2 1 252.402 2.159 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000309765645 628204194 /nfs/dbraw/zinc/20/41/94/628204194.db2.gz ZKVQZQNCVRMHGJ-CRAIPNDOSA-N 2 1 298.434 2.444 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)c(C)c1OC ZINC000902404362 634640101 /nfs/dbraw/zinc/64/01/01/634640101.db2.gz DWRKAYYUITWZMG-LLVKDONJSA-N 2 1 264.369 2.154 20 0 CEADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2([NH3+])CC2)c2ccccc21 ZINC000902404177 634640410 /nfs/dbraw/zinc/64/04/10/634640410.db2.gz COEOSSZXGGLOJC-LSDHHAIUSA-N 2 1 288.391 2.249 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000902403873 634640527 /nfs/dbraw/zinc/64/05/27/634640527.db2.gz TZFNNEYHMVVPCZ-GFCCVEGCSA-N 2 1 263.385 2.420 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000893310941 628289758 /nfs/dbraw/zinc/28/97/58/628289758.db2.gz UNEVNJCYEZNEND-HUUCEWRRSA-N 2 1 268.445 2.057 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925613442 628295425 /nfs/dbraw/zinc/29/54/25/628295425.db2.gz DAICVPPVGVSSEM-VNHYZAJKSA-N 2 1 278.396 2.356 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccccc1 ZINC000925616619 628302933 /nfs/dbraw/zinc/30/29/33/628302933.db2.gz SJYJKWOKYHVPDU-SDADXPQNSA-N 2 1 262.397 2.216 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)CC1 ZINC000893318177 628305978 /nfs/dbraw/zinc/30/59/78/628305978.db2.gz RWAGBNPIVCAJPN-QGZVFWFLSA-N 2 1 292.398 2.061 20 0 CEADMP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925639930 628338130 /nfs/dbraw/zinc/33/81/30/628338130.db2.gz OUEBFFWWHAPIHC-ZXZMWMBJSA-N 2 1 262.319 2.303 20 0 CEADMP C[NH+](C)CC1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCCC1 ZINC000925640951 628339662 /nfs/dbraw/zinc/33/96/62/628339662.db2.gz WIBCUAZSEWIVSP-PMPSAXMXSA-N 3 1 293.499 2.475 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]([NH+](C)C)[C@H]2C)c1C ZINC000931040902 628340974 /nfs/dbraw/zinc/34/09/74/628340974.db2.gz FQSKOJSDQMOMID-UKRRQHHQSA-N 2 1 277.412 2.231 20 0 CEADMP C[C@](O)(C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCCCC1 ZINC000925657023 628364821 /nfs/dbraw/zinc/36/48/21/628364821.db2.gz HNZZRMMTGICRSR-CABCVRRESA-N 2 1 266.429 2.192 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]C(C)C)CC1 ZINC001026610063 628373717 /nfs/dbraw/zinc/37/37/17/628373717.db2.gz BSEFCCAOUOVJTO-UYSNPLJNSA-N 2 1 295.471 2.286 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)C12CCC2 ZINC000925681361 628477972 /nfs/dbraw/zinc/47/79/72/628477972.db2.gz XLXLRZQYGSSWAG-GHMZBOCLSA-N 2 1 285.313 2.460 20 0 CEADMP CC(C)CO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(C)C ZINC000902472242 634664622 /nfs/dbraw/zinc/66/46/22/634664622.db2.gz ZKQGZZTWYLGLPF-JARUQAPTSA-N 2 1 266.429 2.309 20 0 CEADMP c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925711579 628561771 /nfs/dbraw/zinc/56/17/71/628561771.db2.gz TWDGQDNKJYTMEL-ZSNXKLHUSA-N 2 1 254.377 2.260 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931438503 628580139 /nfs/dbraw/zinc/58/01/39/628580139.db2.gz KSZVVPBHBSWTSI-YCPHGPKFSA-N 2 1 294.826 2.257 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931438503 628580142 /nfs/dbraw/zinc/58/01/42/628580142.db2.gz KSZVVPBHBSWTSI-YCPHGPKFSA-N 2 1 294.826 2.257 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931438503 628580144 /nfs/dbraw/zinc/58/01/44/628580144.db2.gz KSZVVPBHBSWTSI-YCPHGPKFSA-N 2 1 294.826 2.257 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000925721562 628588724 /nfs/dbraw/zinc/58/87/24/628588724.db2.gz FDBGQPCGVWTQGJ-XBVQOTNRSA-N 2 1 274.408 2.494 20 0 CEADMP C[C@@H]([NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000925727777 628647276 /nfs/dbraw/zinc/64/72/76/628647276.db2.gz HXJSLWPSJVLYAH-WOSRLPQWSA-N 3 1 261.413 2.053 20 0 CEADMP CC(=O)OC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488241 628649840 /nfs/dbraw/zinc/64/98/40/628649840.db2.gz QQXHLHLFYUGUIH-YDHLFZDLSA-N 2 1 282.428 2.181 20 0 CEADMP Cc1cc(C)cc([C@@H](O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000314049531 628701400 /nfs/dbraw/zinc/70/14/00/628701400.db2.gz TVXWTGJPRCWBLL-ZWKOTPCHSA-N 2 1 288.435 2.364 20 0 CEADMP Cc1cc(C)cc([C@@H](O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000314049531 628701403 /nfs/dbraw/zinc/70/14/03/628701403.db2.gz TVXWTGJPRCWBLL-ZWKOTPCHSA-N 2 1 288.435 2.364 20 0 CEADMP Cc1cc(C)cc([C@@H](O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000314049531 628701405 /nfs/dbraw/zinc/70/14/05/628701405.db2.gz TVXWTGJPRCWBLL-ZWKOTPCHSA-N 2 1 288.435 2.364 20 0 CEADMP Cc1cc(C)cc([C@@H](O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000314049531 628701407 /nfs/dbraw/zinc/70/14/07/628701407.db2.gz TVXWTGJPRCWBLL-ZWKOTPCHSA-N 2 1 288.435 2.364 20 0 CEADMP CC1(C)CC[N@@H+](CCN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000902458505 634679012 /nfs/dbraw/zinc/67/90/12/634679012.db2.gz YNVDQIQHBXLUGU-SJORKVTESA-N 2 1 293.499 2.476 20 0 CEADMP CC1(C)CCN(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000902458505 634679015 /nfs/dbraw/zinc/67/90/15/634679015.db2.gz YNVDQIQHBXLUGU-SJORKVTESA-N 2 1 293.499 2.476 20 0 CEADMP [NH3+]CCCOC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000094072828 628752995 /nfs/dbraw/zinc/75/29/95/628752995.db2.gz RLOMEZZIVQTVFI-UHFFFAOYSA-N 2 1 283.803 2.065 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)[C@H]1CCCC[NH2+]1 ZINC000925773213 628781824 /nfs/dbraw/zinc/78/18/24/628781824.db2.gz MNKBKUONPAPRSQ-HZSPNIEDSA-N 2 1 252.402 2.066 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)C2 ZINC000902464180 634683278 /nfs/dbraw/zinc/68/32/78/634683278.db2.gz AUGQNDGYUMFFMY-LQKXBSAESA-N 2 1 272.392 2.035 20 0 CEADMP Cc1cn(C)nc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000931704053 628802016 /nfs/dbraw/zinc/80/20/16/628802016.db2.gz PEFCPAIMJAODLR-UHFFFAOYSA-N 2 1 278.444 2.426 20 0 CEADMP Cc1cn(C)nc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000931704053 628802017 /nfs/dbraw/zinc/80/20/17/628802017.db2.gz PEFCPAIMJAODLR-UHFFFAOYSA-N 2 1 278.444 2.426 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@@H]1OC ZINC000902471284 634687509 /nfs/dbraw/zinc/68/75/09/634687509.db2.gz LZNSEXUAZDQSPH-MRTXSQPYSA-N 2 1 252.402 2.063 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000925791870 628838352 /nfs/dbraw/zinc/83/83/52/628838352.db2.gz SQIIIBCBKMPDMA-XUJVJEKNSA-N 2 1 278.371 2.485 20 0 CEADMP CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925798648 628845607 /nfs/dbraw/zinc/84/56/07/628845607.db2.gz RLCKJQKZJZNZOC-QLFBSQMISA-N 2 1 266.429 2.313 20 0 CEADMP C(C[C@@H]1CC[C@@H]2C[C@@H]21)[NH2+][C@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000925804478 628854484 /nfs/dbraw/zinc/85/44/84/628854484.db2.gz IISYQKMYFREJKS-NEXGVSGLSA-N 2 1 278.440 2.169 20 0 CEADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902465397 634683975 /nfs/dbraw/zinc/68/39/75/634683975.db2.gz FSYUNMBNODRBCW-SPWCGHHHSA-N 2 1 288.391 2.219 20 0 CEADMP CN(C)Cc1csc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925813668 628867108 /nfs/dbraw/zinc/86/71/08/628867108.db2.gz VICNMISRHTTWKK-RYUDHWBXSA-N 2 1 296.484 2.200 20 0 CEADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccnn1C1CCC1 ZINC000925814775 628870243 /nfs/dbraw/zinc/87/02/43/628870243.db2.gz PSIWJFSIZIVDAI-STQMWFEESA-N 2 1 285.395 2.470 20 0 CEADMP OCCC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925814992 628870371 /nfs/dbraw/zinc/87/03/71/628870371.db2.gz RTCIULSWQRIBBA-RRFJBIMHSA-N 2 1 277.412 2.119 20 0 CEADMP CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000925829058 628921055 /nfs/dbraw/zinc/92/10/55/628921055.db2.gz AKMDQZSLSPFOIJ-GJZGRUSLSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc2ccccc2c1 ZINC000261558706 628937896 /nfs/dbraw/zinc/93/78/96/628937896.db2.gz HYNVQGRPMLOWHQ-CHWSQXEVSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902488119 634703703 /nfs/dbraw/zinc/70/37/03/634703703.db2.gz KKLSJQYQAFPEJB-VDHUWJSZSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902488119 634703706 /nfs/dbraw/zinc/70/37/06/634703706.db2.gz KKLSJQYQAFPEJB-VDHUWJSZSA-N 3 1 287.451 2.224 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCCCCC[NH3+] ZINC000236910162 629123799 /nfs/dbraw/zinc/12/37/99/629123799.db2.gz LBQKRDBKHQIQNM-OAHLLOKOSA-N 2 1 283.460 2.276 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000178725967 629142510 /nfs/dbraw/zinc/14/25/10/629142510.db2.gz BSQRSFPVRUROMJ-CQSZACIVSA-N 2 1 280.460 2.411 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000894183268 629196226 /nfs/dbraw/zinc/19/62/26/629196226.db2.gz MEJAJHOBQMUUDH-ZIAGYGMSSA-N 2 1 290.455 2.430 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924915584 629252020 /nfs/dbraw/zinc/25/20/20/629252020.db2.gz HRRBKSLXBAVRMQ-DNDYEEKYSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924915584 629252024 /nfs/dbraw/zinc/25/20/24/629252024.db2.gz HRRBKSLXBAVRMQ-DNDYEEKYSA-N 2 1 254.418 2.264 20 0 CEADMP CCCCOC(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000047978363 629285895 /nfs/dbraw/zinc/28/58/95/629285895.db2.gz XEDRBWVEZIEUBP-UHFFFAOYSA-N 2 1 284.444 2.384 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnnc2)C1 ZINC000924959185 629297267 /nfs/dbraw/zinc/29/72/67/629297267.db2.gz IKLVEOYSVLHHEJ-KBPBESRZSA-N 2 1 262.401 2.248 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnnc2)C1 ZINC000924959185 629297271 /nfs/dbraw/zinc/29/72/71/629297271.db2.gz IKLVEOYSVLHHEJ-KBPBESRZSA-N 2 1 262.401 2.248 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000894472882 629476918 /nfs/dbraw/zinc/47/69/18/629476918.db2.gz VXDVZQCFNSTTOQ-OAHLLOKOSA-N 2 1 296.455 2.382 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc[nH]c(=O)c1 ZINC000894471530 629480249 /nfs/dbraw/zinc/48/02/49/629480249.db2.gz JNHLWTZTZMRDKU-UHFFFAOYSA-N 2 1 263.385 2.095 20 0 CEADMP COC(=O)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(C)C ZINC000894537392 629519521 /nfs/dbraw/zinc/51/95/21/629519521.db2.gz RZPRVDGKSHBNTL-FFHGMXDLSA-N 2 1 282.428 2.037 20 0 CEADMP CCNC(=O)[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)C(C)C ZINC000894613883 629559244 /nfs/dbraw/zinc/55/92/44/629559244.db2.gz UBUMOJAZLLKJHS-INIZCTEOSA-N 2 1 297.487 2.247 20 0 CEADMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](CO)C(C)C ZINC000894723537 629613687 /nfs/dbraw/zinc/61/36/87/629613687.db2.gz IEZSEXRYMJDHJQ-LDBYLJPUSA-N 2 1 282.472 2.490 20 0 CEADMP CO[C@](C)([C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000894903417 629743988 /nfs/dbraw/zinc/74/39/88/629743988.db2.gz KODUNUAJSGMZMU-KUJKOTJVSA-N 2 1 266.429 2.405 20 0 CEADMP CCC1(O)CCC([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000796346567 629863529 /nfs/dbraw/zinc/86/35/29/629863529.db2.gz PYCMSLSNUJNYHP-UHFFFAOYSA-N 2 1 297.468 2.378 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000262145355 629935376 /nfs/dbraw/zinc/93/53/76/629935376.db2.gz QIOAYTVUOXDQLP-NVXWUHKLSA-N 2 1 290.407 2.025 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@](C)(O)c1ccccc1 ZINC000895147762 629962891 /nfs/dbraw/zinc/96/28/91/629962891.db2.gz NURYQGRXNBVEIL-POGJWJPPSA-N 2 1 288.435 2.497 20 0 CEADMP C[C@H](CC[NH2+]Cc1ccc(C(=O)NC2CC2)cc1)[NH+](C)C ZINC000895298970 630087254 /nfs/dbraw/zinc/08/72/54/630087254.db2.gz DJUISJJPVISKLN-CYBMUJFWSA-N 2 1 289.423 2.009 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2F)[C@H]2CCC[C@@H]21 ZINC000796979150 630090631 /nfs/dbraw/zinc/09/06/31/630090631.db2.gz CDUCUAJKCKZWPJ-RDBSUJKOSA-N 2 1 263.360 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2F)[C@H]2CCC[C@@H]21 ZINC000796979150 630090636 /nfs/dbraw/zinc/09/06/36/630090636.db2.gz CDUCUAJKCKZWPJ-RDBSUJKOSA-N 2 1 263.360 2.183 20 0 CEADMP CCn1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cn1 ZINC000895377250 630149116 /nfs/dbraw/zinc/14/91/16/630149116.db2.gz MBEKTKZOZHFPNZ-GDBMZVCRSA-N 2 1 278.444 2.455 20 0 CEADMP CCn1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cn1 ZINC000895377250 630149122 /nfs/dbraw/zinc/14/91/22/630149122.db2.gz MBEKTKZOZHFPNZ-GDBMZVCRSA-N 2 1 278.444 2.455 20 0 CEADMP CC1=NO[C@@H](C[NH2+]C2CC[NH+](CCC(C)C)CC2)C1 ZINC000895428034 630179002 /nfs/dbraw/zinc/17/90/02/630179002.db2.gz FBXHOZMMIVQDOV-OAHLLOKOSA-N 2 1 267.417 2.251 20 0 CEADMP Cc1n[nH]cc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895684148 630305890 /nfs/dbraw/zinc/30/58/90/630305890.db2.gz ACFKPRQVTXCUEM-UHFFFAOYSA-N 2 1 264.417 2.416 20 0 CEADMP CCSCC[NH2+][C@@H](CCN(C)C)c1cccnc1 ZINC000896720744 630644367 /nfs/dbraw/zinc/64/43/67/630644367.db2.gz KCPFJBOZOCMITR-AWEZNQCLSA-N 2 1 267.442 2.417 20 0 CEADMP CCO[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000902804781 634830136 /nfs/dbraw/zinc/83/01/36/634830136.db2.gz VLMPOXAHNCCBSO-HUUCEWRRSA-N 2 1 284.444 2.035 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903977252 635395309 /nfs/dbraw/zinc/39/53/09/635395309.db2.gz MTZDBAKTOWMHCX-TZMCWYRMSA-N 2 1 275.396 2.062 20 0 CEADMP C[N@@H+](CCOc1ccccc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904301047 635554088 /nfs/dbraw/zinc/55/40/88/635554088.db2.gz FFZMHOWOSAREPD-INIZCTEOSA-N 2 1 262.397 2.387 20 0 CEADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)C[N@H+](C)C(C)C ZINC000909612523 631132534 /nfs/dbraw/zinc/13/25/34/631132534.db2.gz MFMOUQWNARKUNR-UHFFFAOYSA-N 2 1 277.412 2.335 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000800971278 631155923 /nfs/dbraw/zinc/15/59/23/631155923.db2.gz IUDGCXLEKQMYBA-LLLHUVSDSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925197357 631169404 /nfs/dbraw/zinc/16/94/04/631169404.db2.gz MBILVNQLXNKTAN-GJZGRUSLSA-N 2 1 299.422 2.260 20 0 CEADMP C[C@H](NCC[N@H+]1CC[C@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925197357 631169407 /nfs/dbraw/zinc/16/94/07/631169407.db2.gz MBILVNQLXNKTAN-GJZGRUSLSA-N 2 1 299.422 2.260 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000925204021 631173163 /nfs/dbraw/zinc/17/31/63/631173163.db2.gz JFTSNADAMTYVSI-SJORKVTESA-N 2 1 292.471 2.453 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000925204021 631173165 /nfs/dbraw/zinc/17/31/65/631173165.db2.gz JFTSNADAMTYVSI-SJORKVTESA-N 2 1 292.471 2.453 20 0 CEADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CC)C[C@H]1C ZINC000804380727 631674069 /nfs/dbraw/zinc/67/40/69/631674069.db2.gz XHEPOKHLEMILCS-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CC)C[C@H]1C ZINC000804380727 631674076 /nfs/dbraw/zinc/67/40/76/631674076.db2.gz XHEPOKHLEMILCS-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](CC)C[C@H]1C ZINC000804380727 631674082 /nfs/dbraw/zinc/67/40/82/631674082.db2.gz XHEPOKHLEMILCS-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000804380727 631674084 /nfs/dbraw/zinc/67/40/84/631674084.db2.gz XHEPOKHLEMILCS-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCc1nc(N2CCC[C@H](C[NH+](C)C)C2)cc(C)[nH+]1 ZINC000804400304 631678503 /nfs/dbraw/zinc/67/85/03/631678503.db2.gz QVZTXEQYBYHPKM-CYBMUJFWSA-N 2 1 262.401 2.125 20 0 CEADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccoc1 ZINC000808443261 631963660 /nfs/dbraw/zinc/96/36/60/631963660.db2.gz VSYBVLIEOWULTD-UHFFFAOYSA-N 2 1 289.379 2.295 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CCO)cc2)[C@@H](C)C1 ZINC000898170528 632079991 /nfs/dbraw/zinc/07/99/91/632079991.db2.gz HPILROQIVHYQLH-YOEHRIQHSA-N 2 1 276.424 2.041 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc([C@H](C)O)s2)C1 ZINC000809610388 632109882 /nfs/dbraw/zinc/10/98/82/632109882.db2.gz ZBPDMGRZFXNUKE-RYUDHWBXSA-N 2 1 283.441 2.018 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc([C@H](C)O)s2)C1 ZINC000809610388 632109887 /nfs/dbraw/zinc/10/98/87/632109887.db2.gz ZBPDMGRZFXNUKE-RYUDHWBXSA-N 2 1 283.441 2.018 20 0 CEADMP O=C(O[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC[NH+](C2CC2)CC1 ZINC000810838378 632284391 /nfs/dbraw/zinc/28/43/91/632284391.db2.gz PBOLUCDBDXPDHS-JKSUJKDBSA-N 2 1 292.423 2.031 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709945 632342625 /nfs/dbraw/zinc/34/26/25/632342625.db2.gz UFDCFNFKZAWWRQ-YDHLFZDLSA-N 2 1 254.418 2.108 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CCC[C@@H]1CCF)C[NH+](C)C ZINC000926957362 632383996 /nfs/dbraw/zinc/38/39/96/632383996.db2.gz AIZYJHZAAJPBSJ-MCIONIFRSA-N 2 1 260.397 2.071 20 0 CEADMP CCO[C@@H](C[NH2+][C@H]1CC2CCC1CC2)C[NH+](C)C ZINC000926958253 632385864 /nfs/dbraw/zinc/38/58/64/632385864.db2.gz FIQLBLRHNZGZIL-WUCCLRPBSA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)[C@H](C)C1 ZINC000926964122 632392680 /nfs/dbraw/zinc/39/26/80/632392680.db2.gz QHYCMYFPAXJXIS-FRRDWIJNSA-N 2 1 295.393 2.189 20 0 CEADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000924694774 632425289 /nfs/dbraw/zinc/42/52/89/632425289.db2.gz HAFGJLOUMVWFHC-UGUYLWEFSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C1(Br)CC1 ZINC000924712263 632450931 /nfs/dbraw/zinc/45/09/31/632450931.db2.gz HAHSROBVDPOWIV-SNVBAGLBSA-N 2 1 286.217 2.487 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)C1CC1 ZINC000924716223 632458206 /nfs/dbraw/zinc/45/82/06/632458206.db2.gz ITAIPTSIHSTNDK-ARFHVFGLSA-N 2 1 266.429 2.121 20 0 CEADMP COC(=O)C1(CCCC[NH2+]C2CC[NH+](C)CC2)CCC1 ZINC000898411586 632484076 /nfs/dbraw/zinc/48/40/76/632484076.db2.gz FASVCHXPJVJWOI-UHFFFAOYSA-N 2 1 282.428 2.184 20 0 CEADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000898786712 632597331 /nfs/dbraw/zinc/59/73/31/632597331.db2.gz ONLKMOHQFNRBLQ-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3(O)CCCCC3)C2)C1 ZINC000815143123 632970594 /nfs/dbraw/zinc/97/05/94/632970594.db2.gz FCTZOQAEMWJNFG-OAHLLOKOSA-N 2 1 266.429 2.099 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3(O)CCCCC3)C2)C1 ZINC000815143123 632970598 /nfs/dbraw/zinc/97/05/98/632970598.db2.gz FCTZOQAEMWJNFG-OAHLLOKOSA-N 2 1 266.429 2.099 20 0 CEADMP [NH3+][C@@H]1c2ccccc2C[C@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000900019687 633182494 /nfs/dbraw/zinc/18/24/94/633182494.db2.gz DVMGVLIOVSNVAP-RHSMWYFYSA-N 2 1 295.390 2.335 20 0 CEADMP Cc1nc(N[C@@H]2CC[NH2+]C3(CCC3)C2)c(C)c(C)[nH+]1 ZINC000900020506 633185646 /nfs/dbraw/zinc/18/56/46/633185646.db2.gz CJWUPJJUUFMYDG-CYBMUJFWSA-N 2 1 260.385 2.488 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC000817578897 633700768 /nfs/dbraw/zinc/70/07/68/633700768.db2.gz ZHWDHWRWBFIZRY-XHSDSOJGSA-N 2 1 296.455 2.177 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC000817578897 633700771 /nfs/dbraw/zinc/70/07/71/633700771.db2.gz ZHWDHWRWBFIZRY-XHSDSOJGSA-N 2 1 296.455 2.177 20 0 CEADMP COc1cc(C[NH2+][C@@H](C)C2C[NH2+]C2)ccc1OC(C)C ZINC000817899532 633760590 /nfs/dbraw/zinc/76/05/90/633760590.db2.gz GHZFGTLLDBQIOF-LBPRGKRZSA-N 2 1 278.396 2.180 20 0 CEADMP COc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])ccc1OC(C)C ZINC000817901145 633761250 /nfs/dbraw/zinc/76/12/50/633761250.db2.gz SMTZCSXVIKHWDF-KGLIPLIRSA-N 2 1 278.396 2.452 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])ccc1OC(C)C ZINC000817901148 633761295 /nfs/dbraw/zinc/76/12/95/633761295.db2.gz SMTZCSXVIKHWDF-ZIAGYGMSSA-N 2 1 278.396 2.452 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H](C)[NH+]1CCCCC1 ZINC000817914660 633773224 /nfs/dbraw/zinc/77/32/24/633773224.db2.gz XJPJRPZHDQFRGJ-KBPBESRZSA-N 2 1 290.455 2.374 20 0 CEADMP CC[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000817914141 633774078 /nfs/dbraw/zinc/77/40/78/633774078.db2.gz RLMORVPIJGSRTD-OKZBNKHCSA-N 2 1 288.435 2.331 20 0 CEADMP Cc1ncc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)s1 ZINC000817916224 633774950 /nfs/dbraw/zinc/77/49/50/633774950.db2.gz VQTXMGICCAIFPG-MFKMUULPSA-N 2 1 253.415 2.114 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(Br)nc1 ZINC000817970378 633813321 /nfs/dbraw/zinc/81/33/21/633813321.db2.gz SUZMRHSRGXTSAT-SCVCMEIPSA-N 2 1 298.228 2.493 20 0 CEADMP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2c(c1)CCCO2 ZINC000817977412 633820149 /nfs/dbraw/zinc/82/01/49/633820149.db2.gz JXEBLMXRUUBUOF-QSJFSLAZSA-N 2 1 272.392 2.270 20 0 CEADMP CCCCCCNC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000818339679 633911686 /nfs/dbraw/zinc/91/16/86/633911686.db2.gz CRWYYUPXOBWIHI-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000818965066 634018608 /nfs/dbraw/zinc/01/86/08/634018608.db2.gz CTRDSXNWWUPZJE-YOEHRIQHSA-N 2 1 287.407 2.459 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)c1ccccc1 ZINC000818966579 634020270 /nfs/dbraw/zinc/02/02/70/634020270.db2.gz SSJBFTXCIMONOT-BBRMVZONSA-N 2 1 273.380 2.151 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)c1ccccc1F ZINC000818968575 634021010 /nfs/dbraw/zinc/02/10/10/634021010.db2.gz VDIFTVJFKFATSY-OAHLLOKOSA-N 2 1 277.343 2.044 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000818968822 634021019 /nfs/dbraw/zinc/02/10/19/634021019.db2.gz YQZDAJPLSCEAOD-OAHLLOKOSA-N 2 1 277.343 2.044 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1ccccc1F ZINC000819099836 634068123 /nfs/dbraw/zinc/06/81/23/634068123.db2.gz CLMPXWJPPSAEEF-MRXNPFEDSA-N 2 1 291.370 2.434 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2cc(F)ccc2F)C1 ZINC000819366288 634156742 /nfs/dbraw/zinc/15/67/42/634156742.db2.gz MSWWAOHSRYNHNR-LRDDRELGSA-N 2 1 298.377 2.320 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000819366982 634158657 /nfs/dbraw/zinc/15/86/57/634158657.db2.gz VHIJTLBBZCSXIR-RHSMWYFYSA-N 2 1 294.414 2.489 20 0 CEADMP C[C@@H](O)CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000819444023 634183391 /nfs/dbraw/zinc/18/33/91/634183391.db2.gz DQJRHVRVIRRAAD-CQSZACIVSA-N 2 1 291.439 2.257 20 0 CEADMP CC[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903059273 634950128 /nfs/dbraw/zinc/95/01/28/634950128.db2.gz MGWGZZIJUYDINN-ZXFUBFMLSA-N 2 1 277.456 2.218 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000903069649 634965226 /nfs/dbraw/zinc/96/52/26/634965226.db2.gz IURIYDVDQCDESD-OVYBAWALSA-N 2 1 278.440 2.121 20 0 CEADMP C(COC1CCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903136546 634986581 /nfs/dbraw/zinc/98/65/81/634986581.db2.gz CLPRESXMOPGJBC-LQDVMPOASA-N 2 1 264.413 2.303 20 0 CEADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(F)(F)F ZINC000903138679 634987676 /nfs/dbraw/zinc/98/76/76/634987676.db2.gz ZSISEMOWDZNGKZ-PLKNYFGKSA-N 2 1 292.345 2.311 20 0 CEADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(F)(F)F ZINC000903138679 634987678 /nfs/dbraw/zinc/98/76/78/634987678.db2.gz ZSISEMOWDZNGKZ-PLKNYFGKSA-N 2 1 292.345 2.311 20 0 CEADMP CO[C@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903158109 634992955 /nfs/dbraw/zinc/99/29/55/634992955.db2.gz RDHSZQBREAONOZ-QGZQTAFBSA-N 2 1 252.402 2.157 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2CCCO)CC1 ZINC000924788378 634999099 /nfs/dbraw/zinc/99/90/99/634999099.db2.gz MSAWYMIDUMEEGZ-NVXWUHKLSA-N 2 1 298.471 2.018 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903182769 635001622 /nfs/dbraw/zinc/00/16/22/635001622.db2.gz GURWFVRIHOKODH-RHOBMCQOSA-N 2 1 264.413 2.301 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903185110 635002200 /nfs/dbraw/zinc/00/22/00/635002200.db2.gz HNZQBVOXCCDOIE-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccnn1C ZINC000903214394 635018421 /nfs/dbraw/zinc/01/84/21/635018421.db2.gz UMXDHLDSFVSIIE-YPRXJGMQSA-N 2 1 274.412 2.229 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccnn1C ZINC000903214394 635018425 /nfs/dbraw/zinc/01/84/25/635018425.db2.gz UMXDHLDSFVSIIE-YPRXJGMQSA-N 2 1 274.412 2.229 20 0 CEADMP CCC[N@H+](C)Cc1nc(-c2ccc(C[NH3+])cc2F)no1 ZINC000822900596 635024105 /nfs/dbraw/zinc/02/41/05/635024105.db2.gz HPITUWUXKGEBMY-UHFFFAOYSA-N 2 1 278.331 2.176 20 0 CEADMP CCC[N@@H+](C)Cc1nc(-c2ccc(C[NH3+])cc2F)no1 ZINC000822900596 635024117 /nfs/dbraw/zinc/02/41/17/635024117.db2.gz HPITUWUXKGEBMY-UHFFFAOYSA-N 2 1 278.331 2.176 20 0 CEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000903254484 635030043 /nfs/dbraw/zinc/03/00/43/635030043.db2.gz RPTHZICGPINLIY-LMLQULGWSA-N 2 1 278.440 2.264 20 0 CEADMP C[C@@H]1CC2(CC([NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)C2)CO1 ZINC000903281955 635042446 /nfs/dbraw/zinc/04/24/46/635042446.db2.gz JGSDZEYRJGNBBA-GGFBFQQLSA-N 2 1 278.440 2.406 20 0 CEADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903432624 635114889 /nfs/dbraw/zinc/11/48/89/635114889.db2.gz HKXBVGLAECRWTJ-FPCVCCKLSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000903438711 635117629 /nfs/dbraw/zinc/11/76/29/635117629.db2.gz ZWQCPNAVYOGWCG-UWWQBHOKSA-N 2 1 288.435 2.214 20 0 CEADMP CCS[C@H]1CCCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903437616 635118028 /nfs/dbraw/zinc/11/80/28/635118028.db2.gz KNAAFXMUMPUBJN-RDBSUJKOSA-N 2 1 256.459 2.450 20 0 CEADMP Cc1ccccc1[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903439360 635118699 /nfs/dbraw/zinc/11/86/99/635118699.db2.gz HDXOGPHNHGAMDK-HLLBOEOZSA-N 2 1 274.408 2.496 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)C1 ZINC000903441003 635120974 /nfs/dbraw/zinc/12/09/74/635120974.db2.gz GGWMXCARALYPFF-SOUVJXGZSA-N 2 1 299.422 2.036 20 0 CEADMP COCC[NH2+]C1CC[NH+](CCCC(C)(F)F)CC1 ZINC000903461254 635126377 /nfs/dbraw/zinc/12/63/77/635126377.db2.gz QTRLINWDZNXHEJ-UHFFFAOYSA-N 2 1 264.360 2.122 20 0 CEADMP COC[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C(C)C ZINC000903460859 635126527 /nfs/dbraw/zinc/12/65/27/635126527.db2.gz KFMOCPVGZBIQGA-YLFCFFPRSA-N 2 1 298.471 2.266 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903441843 635127868 /nfs/dbraw/zinc/12/78/68/635127868.db2.gz CDIARMMGQFHLQF-GVDBMIGSSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000903442218 635128009 /nfs/dbraw/zinc/12/80/09/635128009.db2.gz KZPHHPYDOLSOLE-XDNAFOTISA-N 2 1 293.499 2.428 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](CC(F)(F)F)O1 ZINC000903464582 635134925 /nfs/dbraw/zinc/13/49/25/635134925.db2.gz SMRVQPOMDYATKH-USZNOCQGSA-N 2 1 280.334 2.156 20 0 CEADMP c1cc(CC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)sn1 ZINC000903453557 635137203 /nfs/dbraw/zinc/13/72/03/635137203.db2.gz BMITWEQNOKEEAK-STQMWFEESA-N 2 1 265.426 2.007 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C(C)C ZINC000903454046 635138177 /nfs/dbraw/zinc/13/81/77/635138177.db2.gz SKASPAZPHAQGHJ-XHSDSOJGSA-N 2 1 268.445 2.227 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000903481424 635148309 /nfs/dbraw/zinc/14/83/09/635148309.db2.gz BMOSCAKENUEJSR-OIISXLGYSA-N 2 1 280.456 2.371 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccn(-c3ccccc3)n2)C[C@H]1CC[NH3+] ZINC000903497260 635158081 /nfs/dbraw/zinc/15/80/81/635158081.db2.gz RSIHOCHYMLUSPE-HUUCEWRRSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)no2)C[C@H]1CC[NH3+] ZINC000903495922 635158159 /nfs/dbraw/zinc/15/81/59/635158159.db2.gz CCPLJKJIKPMMKY-TZMCWYRMSA-N 2 1 286.379 2.153 20 0 CEADMP CC(C)C[N@H+](Cc1ccccn1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903575061 635169922 /nfs/dbraw/zinc/16/99/22/635169922.db2.gz FBUZMZODOZEKAQ-INIZCTEOSA-N 2 1 289.423 2.061 20 0 CEADMP Cc1ccc(C[N@@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903717431 635231913 /nfs/dbraw/zinc/23/19/13/635231913.db2.gz AHKLAFWDCBZDLS-SJORKVTESA-N 2 1 274.408 2.195 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCC[NH2+]C1 ZINC000903719104 635233819 /nfs/dbraw/zinc/23/38/19/635233819.db2.gz VQVIHRGOTSPAOI-CQSZACIVSA-N 2 1 276.380 2.237 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCC[NH2+]C1 ZINC000903719104 635233821 /nfs/dbraw/zinc/23/38/21/635233821.db2.gz VQVIHRGOTSPAOI-CQSZACIVSA-N 2 1 276.380 2.237 20 0 CEADMP C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)CC(C)(C)C ZINC000903721991 635234901 /nfs/dbraw/zinc/23/49/01/635234901.db2.gz GWFRHEQLFYNJHM-CYBMUJFWSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1CCC[C@H]([N@@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903725022 635238057 /nfs/dbraw/zinc/23/80/57/635238057.db2.gz VBSVCTCEKHQCTO-QXSJWSMHSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903725902 635238846 /nfs/dbraw/zinc/23/88/46/635238846.db2.gz IWWVSJAUDOCSJQ-GJZGRUSLSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@H](O)C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CCCCC1 ZINC000903726524 635239400 /nfs/dbraw/zinc/23/94/00/635239400.db2.gz MLUSKLYFHLYESY-LSDHHAIUSA-N 2 1 268.445 2.392 20 0 CEADMP CC1(C)CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903727172 635239828 /nfs/dbraw/zinc/23/98/28/635239828.db2.gz RROBLCWFOXZOBK-ZDUSSCGKSA-N 2 1 252.402 2.020 20 0 CEADMP c1cc2c(s1)CCC[N@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903728598 635240722 /nfs/dbraw/zinc/24/07/22/635240722.db2.gz CICBPDLKBQLDPA-HOCLYGCPSA-N 2 1 292.448 2.265 20 0 CEADMP CCC1(CC)CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903730805 635242338 /nfs/dbraw/zinc/24/23/38/635242338.db2.gz ZKPLQAXKSWTKLU-HOCLYGCPSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903734750 635251912 /nfs/dbraw/zinc/25/19/12/635251912.db2.gz VZMWNJWPAGPXFY-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903742583 635254263 /nfs/dbraw/zinc/25/42/63/635254263.db2.gz XQMZEQFLHWOXLR-GDBMZVCRSA-N 2 1 276.428 2.255 20 0 CEADMP CC(C)O[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903762821 635257305 /nfs/dbraw/zinc/25/73/05/635257305.db2.gz DUZYQWFNLQEEBS-HZPDHXFCSA-N 2 1 296.455 2.035 20 0 CEADMP CCC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903757420 635261750 /nfs/dbraw/zinc/26/17/50/635261750.db2.gz ZRXBXLQHJBNZAD-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903757523 635262054 /nfs/dbraw/zinc/26/20/54/635262054.db2.gz DGCRYTYQIOURHB-LJISPDSOSA-N 2 1 252.402 2.018 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903788322 635271200 /nfs/dbraw/zinc/27/12/00/635271200.db2.gz IORNWWVOCXYNEG-GRYCIOLGSA-N 2 1 280.334 2.157 20 0 CEADMP CC1(C)CO[C@H](C[N@@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000903800808 635277818 /nfs/dbraw/zinc/27/78/18/635277818.db2.gz IDSOGTRFEGXFAG-VNHYZAJKSA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000903800808 635277823 /nfs/dbraw/zinc/27/78/23/635277823.db2.gz IDSOGTRFEGXFAG-VNHYZAJKSA-N 2 1 252.402 2.005 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2C[C@@H]1CC2(CCC2)CO1 ZINC000903801091 635278225 /nfs/dbraw/zinc/27/82/25/635278225.db2.gz KWBNUBXQXCFAKN-IJEWVQPXSA-N 2 1 264.413 2.149 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2C[C@@H]1CC2(CCC2)CO1 ZINC000903801091 635278230 /nfs/dbraw/zinc/27/82/30/635278230.db2.gz KWBNUBXQXCFAKN-IJEWVQPXSA-N 2 1 264.413 2.149 20 0 CEADMP COc1cc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)on1 ZINC000903810780 635284418 /nfs/dbraw/zinc/28/44/18/635284418.db2.gz HUASVIZIAZHWAU-ZDUSSCGKSA-N 2 1 279.384 2.167 20 0 CEADMP COc1cc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)on1 ZINC000903810780 635284422 /nfs/dbraw/zinc/28/44/22/635284422.db2.gz HUASVIZIAZHWAU-ZDUSSCGKSA-N 2 1 279.384 2.167 20 0 CEADMP CC(C)OCC[C@@H](O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810342 635285435 /nfs/dbraw/zinc/28/54/35/635285435.db2.gz BGSAAMGIAYRPCT-CVEARBPZSA-N 2 1 298.471 2.146 20 0 CEADMP CCCCCNC(=O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903813202 635287727 /nfs/dbraw/zinc/28/77/27/635287727.db2.gz YXINJMRVHFBBBU-OAHLLOKOSA-N 2 1 295.471 2.276 20 0 CEADMP CCCCCNC(=O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903813202 635287730 /nfs/dbraw/zinc/28/77/30/635287730.db2.gz YXINJMRVHFBBBU-OAHLLOKOSA-N 2 1 295.471 2.276 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCN1c1ccccc1 ZINC000903831314 635295451 /nfs/dbraw/zinc/29/54/51/635295451.db2.gz HVNCHICEOUQJGC-CVEARBPZSA-N 2 1 273.424 2.197 20 0 CEADMP FCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903833442 635296306 /nfs/dbraw/zinc/29/63/06/635296306.db2.gz WRQXYLIDGRKNNK-QHEDDYRISA-N 2 1 296.430 2.358 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC000903841383 635299515 /nfs/dbraw/zinc/29/95/15/635299515.db2.gz XCFQHAZUQLECQA-CFVMTHIKSA-N 2 1 255.365 2.480 20 0 CEADMP CO[C@@H](C[N@H+]1CC[NH2+]CCC12CCOCC2)C1CCCC1 ZINC000903818343 635299827 /nfs/dbraw/zinc/29/98/27/635299827.db2.gz HMGXNCCBKQZZBS-INIZCTEOSA-N 2 1 296.455 2.036 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cn3cc(Cl)ccc3n1)C2 ZINC000903843563 635302311 /nfs/dbraw/zinc/30/23/11/635302311.db2.gz NBZLUUDDESNRLE-SUHUHFCYSA-N 2 1 290.798 2.299 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cn3cc(Cl)ccc3n1)C2 ZINC000903843563 635302316 /nfs/dbraw/zinc/30/23/16/635302316.db2.gz NBZLUUDDESNRLE-SUHUHFCYSA-N 2 1 290.798 2.299 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@@H]1CCC2(CCC2)CO1 ZINC000903857291 635308207 /nfs/dbraw/zinc/30/82/07/635308207.db2.gz DBPPTFBHGMNCBY-OFQRWUPVSA-N 2 1 264.413 2.149 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@@H]1CCC2(CCC2)CO1 ZINC000903857291 635308210 /nfs/dbraw/zinc/30/82/10/635308210.db2.gz DBPPTFBHGMNCBY-OFQRWUPVSA-N 2 1 264.413 2.149 20 0 CEADMP Cc1c(Cl)cccc1N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000903863152 635313957 /nfs/dbraw/zinc/31/39/57/635313957.db2.gz JMFHXNDDCPHJPS-CQSZACIVSA-N 2 1 293.842 2.380 20 0 CEADMP CCCC[N@@H+](CCOC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903891981 635318062 /nfs/dbraw/zinc/31/80/62/635318062.db2.gz FEMSLSNWSXSBPX-GOOCMWNKSA-N 2 1 254.418 2.266 20 0 CEADMP CO[C@H](C[N@@H+]1CCC[C@]12CC[NH2+]C2)C1CCCC1 ZINC000903871896 635320165 /nfs/dbraw/zinc/32/01/65/635320165.db2.gz WTNBSTGYZTXWMD-HUUCEWRRSA-N 2 1 252.402 2.020 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@]12CC[NH2+]C2)C1CCCC1 ZINC000903871896 635320168 /nfs/dbraw/zinc/32/01/68/635320168.db2.gz WTNBSTGYZTXWMD-HUUCEWRRSA-N 2 1 252.402 2.020 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC([NH+]2CCCCC2)CC1 ZINC000903878629 635324116 /nfs/dbraw/zinc/32/41/16/635324116.db2.gz JWWDSKNELONIEV-ALOPSCKCSA-N 2 1 291.483 2.467 20 0 CEADMP C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903879619 635325328 /nfs/dbraw/zinc/32/53/28/635325328.db2.gz FWNLAZMOMCDGAQ-KFWWJZLASA-N 2 1 291.443 2.213 20 0 CEADMP COCC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000903884604 635328052 /nfs/dbraw/zinc/32/80/52/635328052.db2.gz DSWFAZJBBRLVSB-GOOCMWNKSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H]1CCCCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903895069 635330823 /nfs/dbraw/zinc/33/08/23/635330823.db2.gz KNFYWSBFDQFILB-LSDHHAIUSA-N 2 1 291.443 2.357 20 0 CEADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903895830 635332664 /nfs/dbraw/zinc/33/26/64/635332664.db2.gz QEVGWRWRBQZKPD-CJNGLKHVSA-N 2 1 274.408 2.068 20 0 CEADMP [NH3+][C@H](C[NH2+]C1(c2ccccc2)CCOCC1)CC(F)F ZINC000903898911 635335626 /nfs/dbraw/zinc/33/56/26/635335626.db2.gz PFOJUNQLFOTTLI-ZDUSSCGKSA-N 2 1 284.350 2.264 20 0 CEADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCCC[C@@H]1O ZINC000903903063 635339215 /nfs/dbraw/zinc/33/92/15/635339215.db2.gz RJSRTSAMMGBYOW-AEFFLSMTSA-N 2 1 288.435 2.315 20 0 CEADMP [NH3+][C@@H](CC(F)F)C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000903905694 635340429 /nfs/dbraw/zinc/34/04/29/635340429.db2.gz LRYQSUNXMARROF-LSDHHAIUSA-N 2 1 298.377 2.242 20 0 CEADMP [NH3+][C@@H](CC(F)F)C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000903905694 635340434 /nfs/dbraw/zinc/34/04/34/635340434.db2.gz LRYQSUNXMARROF-LSDHHAIUSA-N 2 1 298.377 2.242 20 0 CEADMP C[C@@H](C[NH2+]C[C@H]([NH3+])CC(F)F)Cc1cccs1 ZINC000903925991 635353237 /nfs/dbraw/zinc/35/32/37/635353237.db2.gz QNIVGAFRANAKFN-NXEZZACHSA-N 2 1 262.369 2.499 20 0 CEADMP Cn1c2cc(Cl)ccc2nc1C[NH2+]CCC(C)(C)[NH3+] ZINC000903939358 635364106 /nfs/dbraw/zinc/36/41/06/635364106.db2.gz XPZKEHAFMQSOBJ-UHFFFAOYSA-N 2 1 280.803 2.444 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC3(CCC3)C[C@@H]2C)cnn1C ZINC000903916978 635364721 /nfs/dbraw/zinc/36/47/21/635364721.db2.gz IZYSKXHLUUBFDM-DZGCQCFKSA-N 2 1 290.455 2.110 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(F)c(F)cc1F ZINC000903964839 635398549 /nfs/dbraw/zinc/39/85/49/635398549.db2.gz SDWILSMTEQUHGF-SCZZXKLOSA-N 2 1 258.287 2.049 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000903968710 635400832 /nfs/dbraw/zinc/40/08/32/635400832.db2.gz ZUWDKQPGLRGELO-MFKMUULPSA-N 2 1 280.799 2.220 20 0 CEADMP CCn1nc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c2ccccc21 ZINC000903968464 635400855 /nfs/dbraw/zinc/40/08/55/635400855.db2.gz WQDKAVLZLZWSIS-OLZOCXBDSA-N 2 1 272.396 2.001 20 0 CEADMP C[C@H]1C[NH2+]C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000903986251 635405041 /nfs/dbraw/zinc/40/50/41/635405041.db2.gz IHRPFEBHQPABFH-KZYLPZIUSA-N 3 1 279.472 2.371 20 0 CEADMP CN(C[C@@H]([NH3+])CCC(C)(C)C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000904316212 635555046 /nfs/dbraw/zinc/55/50/46/635555046.db2.gz LZGJWGMDMVBSIE-ZFWWWQNUSA-N 2 1 267.461 2.309 20 0 CEADMP C[C@@]1(CN2CCC[N@H+](C3CCCC3)CC2)CCC[NH2+]C1 ZINC000904315951 635557099 /nfs/dbraw/zinc/55/70/99/635557099.db2.gz GUGBZXQPKQSNPE-QGZVFWFLSA-N 2 1 279.472 2.326 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)CC1 ZINC000904314497 635561697 /nfs/dbraw/zinc/56/16/97/635561697.db2.gz ZNFIYOHTWNXCHQ-YESZJQIVSA-N 3 1 279.472 2.168 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1n1ccnc1 ZINC000904327309 635573111 /nfs/dbraw/zinc/57/31/11/635573111.db2.gz CRANYKNXGOOKPD-OAGGEKHMSA-N 2 1 276.428 2.156 20 0 CEADMP CCOC(=O)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](C)c1ccccc1 ZINC000904328148 635573657 /nfs/dbraw/zinc/57/36/57/635573657.db2.gz ASDSAWFXMLKXCO-FMKPAKJESA-N 2 1 290.407 2.350 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904326763 635573720 /nfs/dbraw/zinc/57/37/20/635573720.db2.gz RXRWEDZPBCTUOZ-HUUCEWRRSA-N 2 1 269.477 2.414 20 0 CEADMP C[C@H](O)[C@H]1CCC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904329706 635575237 /nfs/dbraw/zinc/57/52/37/635575237.db2.gz RKNNKCXDRHKUIS-MELADBBJSA-N 2 1 256.434 2.233 20 0 CEADMP C[C@H](O)[C@H]1CCC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904329706 635575238 /nfs/dbraw/zinc/57/52/38/635575238.db2.gz RKNNKCXDRHKUIS-MELADBBJSA-N 2 1 256.434 2.233 20 0 CEADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC000904334244 635577311 /nfs/dbraw/zinc/57/73/11/635577311.db2.gz QEECEFAMZXNYNQ-UHFFFAOYSA-N 3 1 283.419 2.496 20 0 CEADMP [NH3+]CCCN(Cc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC000904334244 635577315 /nfs/dbraw/zinc/57/73/15/635577315.db2.gz QEECEFAMZXNYNQ-UHFFFAOYSA-N 2 1 283.419 2.496 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)CCC[NH2+]C1 ZINC000904341990 635580647 /nfs/dbraw/zinc/58/06/47/635580647.db2.gz TVXJCALUVYZNML-IRXDYDNUSA-N 2 1 273.424 2.336 20 0 CEADMP CC(C)(C)CC[C@H](N)C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000904354274 635585465 /nfs/dbraw/zinc/58/54/65/635585465.db2.gz DBVVNPFTVCNZEX-KKUMJFAQSA-N 2 1 269.477 2.495 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@H](c3cccnc3)C2)CCC[NH2+]C1 ZINC000904373093 635594479 /nfs/dbraw/zinc/59/44/79/635594479.db2.gz ATOQKACGKAFFPO-HOTGVXAUSA-N 2 1 259.397 2.261 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](Cc3nccs3)C2)C1 ZINC000904388951 635597841 /nfs/dbraw/zinc/59/78/41/635597841.db2.gz QOOFDQAZCULIQE-UPJWGTAASA-N 2 1 265.426 2.135 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000904405002 635612262 /nfs/dbraw/zinc/61/22/62/635612262.db2.gz GMPFTMUYULSSPI-CQSZACIVSA-N 2 1 270.380 2.043 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000904405631 635612339 /nfs/dbraw/zinc/61/23/39/635612339.db2.gz LQXYYAPHWAFDRP-NSHDSACASA-N 2 1 278.787 2.158 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1C ZINC000904405662 635612499 /nfs/dbraw/zinc/61/24/99/635612499.db2.gz MGRCJGINASZGPK-CQSZACIVSA-N 2 1 264.417 2.081 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000904406177 635614201 /nfs/dbraw/zinc/61/42/01/635614201.db2.gz SUHVFJDSYUMXML-CYBMUJFWSA-N 2 1 288.370 2.182 20 0 CEADMP CCOCc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)ccc1OC ZINC000904406132 635614237 /nfs/dbraw/zinc/61/42/37/635614237.db2.gz QDDKVOIIQVTCKJ-AWEZNQCLSA-N 2 1 292.423 2.402 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cnc1Cl ZINC000904410851 635616168 /nfs/dbraw/zinc/61/61/68/635616168.db2.gz JHEIEUSCBODOKR-WCQYABFASA-N 2 1 267.804 2.460 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)s1 ZINC000904410674 635616820 /nfs/dbraw/zinc/61/68/20/635616820.db2.gz FCDMVBICIIPCJJ-STQMWFEESA-N 2 1 296.484 2.406 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000904412846 635620506 /nfs/dbraw/zinc/62/05/06/635620506.db2.gz XUGXFGKEZUNJCO-IUODEOHRSA-N 2 1 275.396 2.062 20 0 CEADMP CCc1onc(C)c1C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000904433312 635626985 /nfs/dbraw/zinc/62/69/85/635626985.db2.gz LEYCYMCWUQVILM-CMPLNLGQSA-N 2 1 251.374 2.166 20 0 CEADMP CCc1onc(C)c1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904434591 635628667 /nfs/dbraw/zinc/62/86/67/635628667.db2.gz WKHMZSHOKOLLKA-AWEZNQCLSA-N 2 1 251.374 2.025 20 0 CEADMP CC1(C)C[NH2+]C[C@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000904460598 635644791 /nfs/dbraw/zinc/64/47/91/635644791.db2.gz AJSRYNUDVBHWPV-MRXNPFEDSA-N 2 1 274.408 2.142 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)CC[NH2+]1 ZINC000904475465 635649475 /nfs/dbraw/zinc/64/94/75/635649475.db2.gz JYGBYLUFGQRTPS-DGAVXFQQSA-N 2 1 254.443 2.059 20 0 CEADMP CC[C@](O)(C[NH2+]C[C@H](C)C[NH+]1CCCCC1)C(F)(F)F ZINC000905054996 635780074 /nfs/dbraw/zinc/78/00/74/635780074.db2.gz MIKFRADNTCZRRT-STQMWFEESA-N 2 1 296.377 2.401 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000905044311 635785894 /nfs/dbraw/zinc/78/58/94/635785894.db2.gz CEKCMSZNYWMQAO-GXTWGEPZSA-N 2 1 278.387 2.104 20 0 CEADMP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000905318314 636217080 /nfs/dbraw/zinc/21/70/80/636217080.db2.gz BEUZTFQXCYSPSH-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H](O)C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905709506 636399966 /nfs/dbraw/zinc/39/99/66/636399966.db2.gz MKMTUCSIYUUIJZ-RANZSIQMSA-N 2 1 288.435 2.258 20 0 CEADMP CC(C)[NH2+]Cc1cn(C[C@@H]2CCCC[N@H+]2C(C)C)nn1 ZINC000905813673 636483258 /nfs/dbraw/zinc/48/32/58/636483258.db2.gz UTGZKDCYGSXYLT-HNNXBMFYSA-N 2 1 279.432 2.039 20 0 CEADMP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000907657194 637082475 /nfs/dbraw/zinc/08/24/75/637082475.db2.gz DTAFJQKNNZAYBB-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000909020856 637581976 /nfs/dbraw/zinc/58/19/76/637581976.db2.gz QUSRYZKKKGSXTL-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000832591745 637618366 /nfs/dbraw/zinc/61/83/66/637618366.db2.gz JQYNHWJYOKDIFL-AWEZNQCLSA-N 2 1 283.460 2.084 20 0 CEADMP CC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000910268782 637964957 /nfs/dbraw/zinc/96/49/57/637964957.db2.gz HGUSKNKRIWMAPS-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP COCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1 ZINC000834905005 637984091 /nfs/dbraw/zinc/98/40/91/637984091.db2.gz DSDPPVDBXHWQPG-GOOCMWNKSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)s1 ZINC000057994533 639475982 /nfs/dbraw/zinc/47/59/82/639475982.db2.gz WHVUCOFWKJDUFA-LLVKDONJSA-N 2 1 253.415 2.273 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000841023680 639619387 /nfs/dbraw/zinc/61/93/87/639619387.db2.gz YZPQNZUEHNIEOJ-HNNXBMFYSA-N 3 1 267.461 2.168 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000841023680 639619391 /nfs/dbraw/zinc/61/93/91/639619391.db2.gz YZPQNZUEHNIEOJ-HNNXBMFYSA-N 2 1 267.461 2.168 20 0 CEADMP CC(C)C[C@H](N)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000841023680 639619394 /nfs/dbraw/zinc/61/93/94/639619394.db2.gz YZPQNZUEHNIEOJ-HNNXBMFYSA-N 2 1 267.461 2.168 20 0 CEADMP CC(C)C[C@H](N)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000841023680 639619397 /nfs/dbraw/zinc/61/93/97/639619397.db2.gz YZPQNZUEHNIEOJ-HNNXBMFYSA-N 2 1 267.461 2.168 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841029598 639620198 /nfs/dbraw/zinc/62/01/98/639620198.db2.gz GJZZBKHULWHSCK-FDYHWXHSSA-N 2 1 274.499 2.473 20 0 CEADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cnc1Cl ZINC000841031202 639622347 /nfs/dbraw/zinc/62/23/47/639622347.db2.gz VJXQBYVGRBGGCV-FUNVUKJBSA-N 2 1 265.788 2.416 20 0 CEADMP C[C@@H]([NH2+]Cc1cccnc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000841033507 639625324 /nfs/dbraw/zinc/62/53/24/639625324.db2.gz PQYZNONOZFOFCB-GHMZBOCLSA-N 2 1 253.777 2.213 20 0 CEADMP COc1ccc(Cl)cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000841062987 639638442 /nfs/dbraw/zinc/63/84/42/639638442.db2.gz FCQIUEBVTHMJFZ-MFKMUULPSA-N 2 1 268.788 2.436 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1C[NH3+] ZINC000841101163 639658374 /nfs/dbraw/zinc/65/83/74/639658374.db2.gz QFQVEFPQRZXWSH-WBMJQRKESA-N 2 1 260.381 2.134 20 0 CEADMP CO[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000877022398 650534680 /nfs/dbraw/zinc/53/46/80/650534680.db2.gz MUQBYMWFXWSZDO-BRWVUGGUSA-N 2 1 296.455 2.035 20 0 CEADMP CO[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000877022398 650534681 /nfs/dbraw/zinc/53/46/81/650534681.db2.gz MUQBYMWFXWSZDO-BRWVUGGUSA-N 2 1 296.455 2.035 20 0 CEADMP CCCCOC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000842472660 640072538 /nfs/dbraw/zinc/07/25/38/640072538.db2.gz INDUHVZAIZFGOX-UKRRQHHQSA-N 2 1 282.428 2.182 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000842473549 640072903 /nfs/dbraw/zinc/07/29/03/640072903.db2.gz YYLZCZZIEFFESR-CABCVRRESA-N 2 1 254.418 2.397 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000842478662 640078251 /nfs/dbraw/zinc/07/82/51/640078251.db2.gz LKSUEDKSJOJRQX-JYJNAYRXSA-N 2 1 297.487 2.378 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000842478662 640078259 /nfs/dbraw/zinc/07/82/59/640078259.db2.gz LKSUEDKSJOJRQX-JYJNAYRXSA-N 2 1 297.487 2.378 20 0 CEADMP CC[C@@H](CO)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929754104 640085332 /nfs/dbraw/zinc/08/53/32/640085332.db2.gz JASMBBCCRVPMBI-IRXDYDNUSA-N 2 1 276.424 2.211 20 0 CEADMP CC[C@@H](CO)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000929754104 640085334 /nfs/dbraw/zinc/08/53/34/640085334.db2.gz JASMBBCCRVPMBI-IRXDYDNUSA-N 2 1 276.424 2.211 20 0 CEADMP CC[C@@H](CO)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000929754104 640085337 /nfs/dbraw/zinc/08/53/37/640085337.db2.gz JASMBBCCRVPMBI-IRXDYDNUSA-N 2 1 276.424 2.211 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C/C=C(\C)COC)C1 ZINC000929780566 640188022 /nfs/dbraw/zinc/18/80/22/640188022.db2.gz OXQYVTXRJMKBLY-SXSSENBOSA-N 2 1 254.418 2.243 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C(\C)COC)C1 ZINC000929780566 640188025 /nfs/dbraw/zinc/18/80/25/640188025.db2.gz OXQYVTXRJMKBLY-SXSSENBOSA-N 2 1 254.418 2.243 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C(\C)COC)C1 ZINC000929780566 640188029 /nfs/dbraw/zinc/18/80/29/640188029.db2.gz OXQYVTXRJMKBLY-SXSSENBOSA-N 2 1 254.418 2.243 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C(\C)COC)C1 ZINC000929780566 640188033 /nfs/dbraw/zinc/18/80/33/640188033.db2.gz OXQYVTXRJMKBLY-SXSSENBOSA-N 2 1 254.418 2.243 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C(\C)COC)C1 ZINC000929780566 640188040 /nfs/dbraw/zinc/18/80/40/640188040.db2.gz OXQYVTXRJMKBLY-SXSSENBOSA-N 2 1 254.418 2.243 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843051895 640254291 /nfs/dbraw/zinc/25/42/91/640254291.db2.gz MFGWSEAOXDDJCU-GXTWGEPZSA-N 2 1 260.381 2.276 20 0 CEADMP CCCCOC(=O)[C@H](C)[NH+]1CCC(C[NH2+]CC)CC1 ZINC000843353362 640400766 /nfs/dbraw/zinc/40/07/66/640400766.db2.gz YUQGOIBCNVYEQB-ZDUSSCGKSA-N 2 1 270.417 2.040 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000844222208 640636440 /nfs/dbraw/zinc/63/64/40/640636440.db2.gz ZVYSISLPVCIWDF-QGZVFWFLSA-N 2 1 297.487 2.082 20 0 CEADMP CCCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993758183 640674229 /nfs/dbraw/zinc/67/42/29/640674229.db2.gz ICGFABJULYIEGS-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](O)c1ncc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000844902033 640859992 /nfs/dbraw/zinc/85/99/92/640859992.db2.gz NCGQWCSNINTPPP-MDZLAQPJSA-N 2 1 283.441 2.146 20 0 CEADMP C[C@H](O)c1ncc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000844902033 640859995 /nfs/dbraw/zinc/85/99/95/640859995.db2.gz NCGQWCSNINTPPP-MDZLAQPJSA-N 2 1 283.441 2.146 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCO1 ZINC000844901628 640860176 /nfs/dbraw/zinc/86/01/76/640860176.db2.gz JAHKBCCQWDXMGL-QXSJWSMHSA-N 2 1 266.429 2.252 20 0 CEADMP C[N@@H+](CCOc1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000154828585 640995285 /nfs/dbraw/zinc/99/52/85/640995285.db2.gz ZWGZMMUTZQKXGB-UHFFFAOYSA-N 2 1 280.387 2.478 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@](C)(O)c1ccccc1 ZINC000846190209 641217257 /nfs/dbraw/zinc/21/72/57/641217257.db2.gz TYAAXAZBQDSYCG-YALNPMBYSA-N 2 1 276.424 2.355 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@](C)(O)c1ccccc1 ZINC000846190209 641217262 /nfs/dbraw/zinc/21/72/62/641217262.db2.gz TYAAXAZBQDSYCG-YALNPMBYSA-N 2 1 276.424 2.355 20 0 CEADMP Cc1noc([C@@H]2CCC[N@@H+](CCCCCC[NH3+])C2)n1 ZINC000846217782 641226200 /nfs/dbraw/zinc/22/62/00/641226200.db2.gz BFPHOCSSQHGWGY-CYBMUJFWSA-N 2 1 266.389 2.077 20 0 CEADMP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000068041906 641371641 /nfs/dbraw/zinc/37/16/41/641371641.db2.gz XDMFAMCRAIPWTC-HNNXBMFYSA-N 2 1 278.444 2.121 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4nonc4c3)CC[C@@H]21 ZINC000846818808 641438011 /nfs/dbraw/zinc/43/80/11/641438011.db2.gz SMKQJNAMDSDJCL-CJNGLKHVSA-N 2 1 286.379 2.139 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4nonc4c3)CC[C@@H]21 ZINC000846818808 641438013 /nfs/dbraw/zinc/43/80/13/641438013.db2.gz SMKQJNAMDSDJCL-CJNGLKHVSA-N 2 1 286.379 2.139 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)CC[C@@H]21 ZINC000846818808 641438015 /nfs/dbraw/zinc/43/80/15/641438015.db2.gz SMKQJNAMDSDJCL-CJNGLKHVSA-N 2 1 286.379 2.139 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2nonc2c1 ZINC000846889354 641470394 /nfs/dbraw/zinc/47/03/94/641470394.db2.gz BWKPLEYIIOWNRY-UHFFFAOYSA-N 2 1 274.368 2.141 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2nonc2c1 ZINC000846889354 641470395 /nfs/dbraw/zinc/47/03/95/641470395.db2.gz BWKPLEYIIOWNRY-UHFFFAOYSA-N 2 1 274.368 2.141 20 0 CEADMP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC([NH3+])CC2)[C@H]1C ZINC000252542280 641579953 /nfs/dbraw/zinc/57/99/53/641579953.db2.gz FTHGWPUDYRMXQK-AKZYDZMLSA-N 2 1 295.471 2.129 20 0 CEADMP CCC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996669642 642126730 /nfs/dbraw/zinc/12/67/30/642126730.db2.gz RKRDQMPSHQLOQF-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP Cn1c(C[NH+]2CCC(CC[NH+](C)C)CC2)cnc1Cl ZINC000848883002 642164508 /nfs/dbraw/zinc/16/45/08/642164508.db2.gz GSYACQWUBQWTNN-UHFFFAOYSA-N 2 1 284.835 2.237 20 0 CEADMP CC[C@@H](C)NC(=[NH2+])NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000848981615 642203952 /nfs/dbraw/zinc/20/39/52/642203952.db2.gz DTYOYSSTUVBJQZ-HIFRSBDPSA-N 2 1 276.428 2.072 20 0 CEADMP O=c1[nH]c2cccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)c2o1 ZINC000921527894 642207797 /nfs/dbraw/zinc/20/77/97/642207797.db2.gz PQERZRDXSMMSMJ-NSHDSACASA-N 2 1 287.363 2.107 20 0 CEADMP O=c1[nH]c2cccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)c2o1 ZINC000921527894 642207800 /nfs/dbraw/zinc/20/78/00/642207800.db2.gz PQERZRDXSMMSMJ-NSHDSACASA-N 2 1 287.363 2.107 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])NCCc1cccs1 ZINC000848987770 642210603 /nfs/dbraw/zinc/21/06/03/642210603.db2.gz YXWOSFZCANWYTG-UHFFFAOYSA-N 2 1 282.457 2.135 20 0 CEADMP CC[C@H](C)NC(=[NH2+])NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000848989215 642210863 /nfs/dbraw/zinc/21/08/63/642210863.db2.gz GQIRAXAABCGEPJ-KGLIPLIRSA-N 2 1 268.449 2.411 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NCc1ccc(C)cc1 ZINC000849000984 642219420 /nfs/dbraw/zinc/21/94/20/642219420.db2.gz LGOBETSKGBMYIB-AWEZNQCLSA-N 2 1 276.428 2.339 20 0 CEADMP CC[N@@H+](CCNC(=[NH2+])NCc1ccc(C)cc1)C(C)C ZINC000849000935 642219546 /nfs/dbraw/zinc/21/95/46/642219546.db2.gz FRNSCFLJZUUICK-UHFFFAOYSA-N 2 1 276.428 2.339 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921546937 642228292 /nfs/dbraw/zinc/22/82/92/642228292.db2.gz JLQAAFPCUVISOW-ZDUSSCGKSA-N 2 1 262.401 2.040 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921546937 642228294 /nfs/dbraw/zinc/22/82/94/642228294.db2.gz JLQAAFPCUVISOW-ZDUSSCGKSA-N 2 1 262.401 2.040 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1cccs1 ZINC000849015488 642231323 /nfs/dbraw/zinc/23/13/23/642231323.db2.gz UVQBKYUDVSGDIT-ZDUSSCGKSA-N 2 1 294.468 2.279 20 0 CEADMP CC(C)CCNC(=[NH2+])NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000849023882 642237564 /nfs/dbraw/zinc/23/75/64/642237564.db2.gz JFHMLSREGNTMHD-ZDUSSCGKSA-N 2 1 268.449 2.267 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC(C)(F)F ZINC000849033261 642245184 /nfs/dbraw/zinc/24/51/84/642245184.db2.gz ZOYSFLWSQLRBBG-LLVKDONJSA-N 2 1 276.375 2.020 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921583737 642251005 /nfs/dbraw/zinc/25/10/05/642251005.db2.gz ZKICPLPOESWOMK-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921583737 642251006 /nfs/dbraw/zinc/25/10/06/642251006.db2.gz ZKICPLPOESWOMK-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000921617923 642264588 /nfs/dbraw/zinc/26/45/88/642264588.db2.gz GRCYBDICCKVAKT-ZDUSSCGKSA-N 2 1 264.417 2.113 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921625123 642286360 /nfs/dbraw/zinc/28/63/60/642286360.db2.gz QNOFVEXLTGIWHJ-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921625123 642286363 /nfs/dbraw/zinc/28/63/63/642286363.db2.gz QNOFVEXLTGIWHJ-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997517258 642286424 /nfs/dbraw/zinc/28/64/24/642286424.db2.gz YCXHWNMAMJDEHV-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(C[NH2+]CC2([NH3+])CCCC2)cnc1Cl ZINC000849350276 642340549 /nfs/dbraw/zinc/34/05/49/642340549.db2.gz WPOZOBMANMWGMZ-UHFFFAOYSA-N 2 1 253.777 2.405 20 0 CEADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cnn(CCF)c1)C(C)(C)C ZINC000921748946 642576163 /nfs/dbraw/zinc/57/61/63/642576163.db2.gz LIFGUMYTFBCUPP-CQSZACIVSA-N 2 1 284.423 2.309 20 0 CEADMP COc1cncc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000850246700 642637893 /nfs/dbraw/zinc/63/78/93/642637893.db2.gz VYIRWUILKCWTNS-AWEZNQCLSA-N 2 1 277.412 2.444 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCC)CC1 ZINC001000758684 642648510 /nfs/dbraw/zinc/64/85/10/642648510.db2.gz YYDYHXFCOUVPKY-INIZCTEOSA-N 2 1 293.455 2.019 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCC)CC1 ZINC001000758684 642648515 /nfs/dbraw/zinc/64/85/15/642648515.db2.gz YYDYHXFCOUVPKY-INIZCTEOSA-N 2 1 293.455 2.019 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCC)CC1 ZINC001000758684 642648519 /nfs/dbraw/zinc/64/85/19/642648519.db2.gz YYDYHXFCOUVPKY-INIZCTEOSA-N 2 1 293.455 2.019 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(C)C)C1 ZINC001001010389 642675533 /nfs/dbraw/zinc/67/55/33/642675533.db2.gz STUPBXFSUPWLTI-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)[C@H](C)C1 ZINC000850439637 642713440 /nfs/dbraw/zinc/71/34/40/642713440.db2.gz QHIPZIKXYPUOAN-RDBSUJKOSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)[C@@H](C)C1 ZINC000850439633 642713718 /nfs/dbraw/zinc/71/37/18/642713718.db2.gz QHIPZIKXYPUOAN-IHRRRGAJSA-N 2 1 252.402 2.018 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1F ZINC000253197759 642773528 /nfs/dbraw/zinc/77/35/28/642773528.db2.gz VCLZOWYJOVOGAP-DGCLKSJQSA-N 2 1 266.360 2.251 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1F ZINC000253197759 642773534 /nfs/dbraw/zinc/77/35/34/642773534.db2.gz VCLZOWYJOVOGAP-DGCLKSJQSA-N 2 1 266.360 2.251 20 0 CEADMP Cn1nc2c(c1C[NH2+]CC(C)(C)C[NH+]1CCCC1)CCC2 ZINC000922054186 642857841 /nfs/dbraw/zinc/85/78/41/642857841.db2.gz YQZOINVDZMCQGA-UHFFFAOYSA-N 2 1 290.455 2.120 20 0 CEADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]Cc1cccc3c1OCC3)CC2 ZINC000922063157 642861864 /nfs/dbraw/zinc/86/18/64/642861864.db2.gz DOOFQAZCHBAOTP-ZDUSSCGKSA-N 2 1 283.375 2.170 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000922181634 642940410 /nfs/dbraw/zinc/94/04/10/642940410.db2.gz WGNVQEVNCZYRDE-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP Cc1cnc(Cl)c(C[NH2+]CCc2c[nH+]cn2C)c1 ZINC000922273788 642994898 /nfs/dbraw/zinc/99/48/98/642994898.db2.gz LCNLWYYVQALTGC-UHFFFAOYSA-N 2 1 264.760 2.109 20 0 CEADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCc1ccc(N)nc1 ZINC000922587331 643146316 /nfs/dbraw/zinc/14/63/16/643146316.db2.gz ZTLSDUMEMMFLIE-UHFFFAOYSA-N 2 1 291.395 2.360 20 0 CEADMP CC1(C)OC[C@H](CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000851778316 643156807 /nfs/dbraw/zinc/15/68/07/643156807.db2.gz GSRKNNYBGFVHJP-CVEARBPZSA-N 2 1 296.455 2.478 20 0 CEADMP CCCn1ccnc1CCC[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851985690 643253557 /nfs/dbraw/zinc/25/35/57/643253557.db2.gz POIBLAJNLWSKSD-AWEZNQCLSA-N 2 1 295.427 2.309 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851985690 643253562 /nfs/dbraw/zinc/25/35/62/643253562.db2.gz POIBLAJNLWSKSD-AWEZNQCLSA-N 2 1 295.427 2.309 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851985690 643253566 /nfs/dbraw/zinc/25/35/66/643253566.db2.gz POIBLAJNLWSKSD-AWEZNQCLSA-N 2 1 295.427 2.309 20 0 CEADMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)sn1 ZINC000852006652 643262622 /nfs/dbraw/zinc/26/26/22/643262622.db2.gz CLVSCLPFYFLDCH-UHFFFAOYSA-N 2 1 295.452 2.460 20 0 CEADMP CC(C)[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004874286 643360579 /nfs/dbraw/zinc/36/05/79/643360579.db2.gz CFFHIXOGJAOXPP-ZBFHGGJFSA-N 2 1 295.471 2.238 20 0 CEADMP CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001004935542 643364362 /nfs/dbraw/zinc/36/43/62/643364362.db2.gz DBOHIFCOBFDGLQ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[C@@H](CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000877669627 650842693 /nfs/dbraw/zinc/84/26/93/650842693.db2.gz RHBGQZNPSWYJSI-BRSBDYLESA-N 2 1 295.515 2.484 20 0 CEADMP OC[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000923005383 643509561 /nfs/dbraw/zinc/50/95/61/643509561.db2.gz SDWJSSKZVDCZRD-SAABIXHNSA-N 2 1 288.435 2.054 20 0 CEADMP CCCOC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000852753915 643537263 /nfs/dbraw/zinc/53/72/63/643537263.db2.gz KROIIIWBVSOUJV-UKRRQHHQSA-N 2 1 282.428 2.040 20 0 CEADMP CCCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001005995797 643617948 /nfs/dbraw/zinc/61/79/48/643617948.db2.gz IQZXDXUGAQTGER-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC2SCCS2)CC[C@@H]1[NH3+] ZINC000853022895 643624360 /nfs/dbraw/zinc/62/43/60/643624360.db2.gz GZQCQISEUBRRCD-MNOVXSKESA-N 2 1 260.472 2.242 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923289683 643642884 /nfs/dbraw/zinc/64/28/84/643642884.db2.gz JLUDKRXXEWROQC-APWZRJJASA-N 2 1 298.430 2.285 20 0 CEADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCCc2ccccc21 ZINC000923297799 643648221 /nfs/dbraw/zinc/64/82/21/643648221.db2.gz JWXVKPHJWLGJBT-NVXWUHKLSA-N 2 1 286.419 2.374 20 0 CEADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303516 643650745 /nfs/dbraw/zinc/65/07/45/643650745.db2.gz FGILADZALGHIED-GJZGRUSLSA-N 2 1 274.408 2.366 20 0 CEADMP CCCO[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)CC1 ZINC000923313540 643653528 /nfs/dbraw/zinc/65/35/28/643653528.db2.gz VHDMJAVHKDZXAH-HNNXBMFYSA-N 2 1 254.418 2.410 20 0 CEADMP CC[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1c1ccccc1 ZINC000923314441 643655223 /nfs/dbraw/zinc/65/52/23/643655223.db2.gz HNIQWIZKFHKKPW-WJNMYVKJSA-N 2 1 288.435 2.353 20 0 CEADMP CCC[C@@]1(C)CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923317679 643656272 /nfs/dbraw/zinc/65/62/72/643656272.db2.gz VJPFCYWTRVJKCK-CABCVRRESA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc(F)cc1 ZINC000923329979 643661443 /nfs/dbraw/zinc/66/14/43/643661443.db2.gz TXURBLSYMUARNP-UYTSQGDYSA-N 2 1 278.371 2.203 20 0 CEADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923324934 643663286 /nfs/dbraw/zinc/66/32/86/643663286.db2.gz NRKQSPFEXUIGBH-XFYFCPPXSA-N 2 1 291.483 2.325 20 0 CEADMP Cn1cc([C@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cn1 ZINC000923324412 643663582 /nfs/dbraw/zinc/66/35/82/643663582.db2.gz HBHMWPCRPDYLOT-AZZBFNOKSA-N 2 1 288.439 2.130 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3cccc(F)c3)C[C@H]21 ZINC000923331283 643663784 /nfs/dbraw/zinc/66/37/84/643663784.db2.gz FQSQLGWXQBLZLO-NUEKZKHPSA-N 2 1 262.372 2.427 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000923335247 643666791 /nfs/dbraw/zinc/66/67/91/643666791.db2.gz OGKNTFTUONZQHG-WFASDCNBSA-N 2 1 284.350 2.072 20 0 CEADMP CC[N@@H+](C[C@@H](O)Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000923334922 643667067 /nfs/dbraw/zinc/66/70/67/643667067.db2.gz HGVFTRBIZQTYBK-IRXDYDNUSA-N 2 1 276.424 2.054 20 0 CEADMP CC[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000923335055 643667237 /nfs/dbraw/zinc/66/72/37/643667237.db2.gz HSKHSLTWZQUPMQ-XJKSGUPXSA-N 2 1 298.377 2.462 20 0 CEADMP C[C@@H](O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923341528 643674371 /nfs/dbraw/zinc/67/43/71/643674371.db2.gz LYOANJVVIVUATM-TZMCWYRMSA-N 2 1 280.437 2.073 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)c(F)c2)CC[C@H]1[NH3+] ZINC000923345392 643676012 /nfs/dbraw/zinc/67/60/12/643676012.db2.gz KIXFSSLHCZUGHV-KMUNFCNLSA-N 2 1 284.350 2.057 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)CC[C@H]1[NH3+] ZINC000923345392 643676015 /nfs/dbraw/zinc/67/60/15/643676015.db2.gz KIXFSSLHCZUGHV-KMUNFCNLSA-N 2 1 284.350 2.057 20 0 CEADMP C[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)[C@@H](C[NH3+])C1CC1 ZINC000923356447 643678030 /nfs/dbraw/zinc/67/80/30/643678030.db2.gz INNNXDWNCUXRFX-OALUTQOASA-N 2 1 298.430 2.412 20 0 CEADMP C[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)[C@@H](C[NH3+])C1CC1 ZINC000923356447 643678035 /nfs/dbraw/zinc/67/80/35/643678035.db2.gz INNNXDWNCUXRFX-OALUTQOASA-N 2 1 298.430 2.412 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000923382628 643688643 /nfs/dbraw/zinc/68/86/43/643688643.db2.gz DRQLBPCPGGQKPW-CABCVRRESA-N 2 1 268.445 2.248 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C1CCCCC1 ZINC000923372834 643689213 /nfs/dbraw/zinc/68/92/13/643689213.db2.gz KCKLLZWZOZLNJU-JKSUJKDBSA-N 2 1 280.387 2.356 20 0 CEADMP C[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)CC(C)(C)[NH3+] ZINC000923386549 643692338 /nfs/dbraw/zinc/69/23/38/643692338.db2.gz OMNBOSRVLMOLQX-QGZVFWFLSA-N 2 1 286.419 2.412 20 0 CEADMP C[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)CC(C)(C)[NH3+] ZINC000923386549 643692340 /nfs/dbraw/zinc/69/23/40/643692340.db2.gz OMNBOSRVLMOLQX-QGZVFWFLSA-N 2 1 286.419 2.412 20 0 CEADMP c1ccc([C@H]2CCC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)cc1 ZINC000923386521 643692736 /nfs/dbraw/zinc/69/27/36/643692736.db2.gz GVVGJCUDXJGHFS-IRXDYDNUSA-N 2 1 286.419 2.245 20 0 CEADMP CCc1ncc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])o1 ZINC000923386968 643692793 /nfs/dbraw/zinc/69/27/93/643692793.db2.gz MBQAXFPKWONPQP-YPMHNXCESA-N 2 1 251.374 2.186 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])o1 ZINC000923386968 643692795 /nfs/dbraw/zinc/69/27/95/643692795.db2.gz MBQAXFPKWONPQP-YPMHNXCESA-N 2 1 251.374 2.186 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H](O)Cc2ccccc2)[C@@H]1CC[NH3+] ZINC000923386888 643692941 /nfs/dbraw/zinc/69/29/41/643692941.db2.gz KWOINICHUANLON-DJIMGWMZSA-N 2 1 276.424 2.039 20 0 CEADMP CCC[N@H+](Cc1ccccc1F)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923388845 643694037 /nfs/dbraw/zinc/69/40/37/643694037.db2.gz KAUKJPSCVJTROH-HNNXBMFYSA-N 2 1 292.398 2.416 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H](O)CCc1ccccc1 ZINC000923415053 643702055 /nfs/dbraw/zinc/70/20/55/643702055.db2.gz OJOLLOBMLGYGFW-MRXNPFEDSA-N 2 1 276.424 2.054 20 0 CEADMP O[C@H](CCc1ccccc1)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923415470 643702814 /nfs/dbraw/zinc/70/28/14/643702814.db2.gz RUOZPCJDHXWZAL-KZNAEPCWSA-N 2 1 288.435 2.054 20 0 CEADMP C[N@H+](C[C@@H](O)COc1ccccc1)C1(C[NH3+])CCCCC1 ZINC000923423066 643703213 /nfs/dbraw/zinc/70/32/13/643703213.db2.gz PTFADIJCGBFKKL-OAHLLOKOSA-N 2 1 292.423 2.020 20 0 CEADMP C[N@@H+](C[C@@H](O)COc1ccccc1)C1(C[NH3+])CCCCC1 ZINC000923423066 643703216 /nfs/dbraw/zinc/70/32/16/643703216.db2.gz PTFADIJCGBFKKL-OAHLLOKOSA-N 2 1 292.423 2.020 20 0 CEADMP O[C@H](CCc1ccccc1)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923415466 643703290 /nfs/dbraw/zinc/70/32/90/643703290.db2.gz RUOZPCJDHXWZAL-KSZLIROESA-N 2 1 288.435 2.054 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923426392 643706311 /nfs/dbraw/zinc/70/63/11/643706311.db2.gz CPRHMWJDJQFCOB-HZPDHXFCSA-N 2 1 268.445 2.249 20 0 CEADMP C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CC[NH2+]C12CCCC2 ZINC000923428385 643707236 /nfs/dbraw/zinc/70/72/36/643707236.db2.gz PHXXTUZJZRYBDP-UYTSQGDYSA-N 2 1 277.456 2.171 20 0 CEADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923485295 643732702 /nfs/dbraw/zinc/73/27/02/643732702.db2.gz HBHGELQGBSFPSO-QWHCGFSZSA-N 2 1 293.386 2.132 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2)CC[C@@H]1C[NH3+] ZINC000923495822 643734250 /nfs/dbraw/zinc/73/42/50/643734250.db2.gz FKXGHHSQQBXXKP-CHWSQXEVSA-N 2 1 293.386 2.071 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)ccc1C ZINC000923488129 643735530 /nfs/dbraw/zinc/73/55/30/643735530.db2.gz DNZHKUGJIHMFTA-UKRRQHHQSA-N 2 1 290.407 2.198 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923494192 643738189 /nfs/dbraw/zinc/73/81/89/643738189.db2.gz WGUMAOWCWUOTES-KFWWJZLASA-N 2 1 256.434 2.234 20 0 CEADMP Cc1cccc2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cn21 ZINC000923497451 643739167 /nfs/dbraw/zinc/73/91/67/643739167.db2.gz FKZQAKVLJPGMNA-JSGCOSHPSA-N 2 1 272.396 2.059 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnc(Cl)s2)CC[C@H]1C[NH3+] ZINC000923500879 643741947 /nfs/dbraw/zinc/74/19/47/643741947.db2.gz YSPJDUSTNWIERQ-BDAKNGLRSA-N 2 1 259.806 2.213 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)CC[C@H]1C[NH3+] ZINC000923500879 643741951 /nfs/dbraw/zinc/74/19/51/643741951.db2.gz YSPJDUSTNWIERQ-BDAKNGLRSA-N 2 1 259.806 2.213 20 0 CEADMP Cc1nnc([C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)[nH]1 ZINC000923505395 643743187 /nfs/dbraw/zinc/74/31/87/643743187.db2.gz ANWRRBYMURZWSU-OCCSQVGLSA-N 2 1 291.443 2.276 20 0 CEADMP Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923505506 643743534 /nfs/dbraw/zinc/74/35/34/643743534.db2.gz AIBUGKIZIYGILG-CABCVRRESA-N 2 1 289.423 2.159 20 0 CEADMP C[C@H]1CCCC[C@@H]1OCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520352 643748567 /nfs/dbraw/zinc/74/85/67/643748567.db2.gz WLJDDCLTSRKKHJ-JONQDZQNSA-N 2 1 266.429 2.123 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CC3(Cl)Cl)CC[C@@H]21 ZINC000877740410 650883137 /nfs/dbraw/zinc/88/31/37/650883137.db2.gz RNACOKZEFWLWTM-MXWKQRLJSA-N 2 1 263.212 2.206 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CC3(Cl)Cl)CC[C@@H]21 ZINC000877740410 650883141 /nfs/dbraw/zinc/88/31/41/650883141.db2.gz RNACOKZEFWLWTM-MXWKQRLJSA-N 2 1 263.212 2.206 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CC3(Cl)Cl)CC[C@@H]21 ZINC000877740410 650883143 /nfs/dbraw/zinc/88/31/43/650883143.db2.gz RNACOKZEFWLWTM-MXWKQRLJSA-N 2 1 263.212 2.206 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CC3(Cl)Cl)CC[C@@H]21 ZINC000877740410 650883146 /nfs/dbraw/zinc/88/31/46/650883146.db2.gz RNACOKZEFWLWTM-MXWKQRLJSA-N 2 1 263.212 2.206 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925488241 644049435 /nfs/dbraw/zinc/04/94/35/644049435.db2.gz IRKHRVQYMJPLTQ-IRXDYDNUSA-N 3 1 281.488 2.476 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000838973359 644103876 /nfs/dbraw/zinc/10/38/76/644103876.db2.gz YXEVPIBFHRTGRE-CHWSQXEVSA-N 2 1 270.417 2.038 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnc(N(C)C)c2)C[C@@H]1C ZINC000754050636 644316278 /nfs/dbraw/zinc/31/62/78/644316278.db2.gz PMAKUKAOSRECPN-HOCLYGCPSA-N 2 1 290.455 2.452 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnc(N(C)C)c2)C[C@@H]1C ZINC000754050636 644316279 /nfs/dbraw/zinc/31/62/79/644316279.db2.gz PMAKUKAOSRECPN-HOCLYGCPSA-N 2 1 290.455 2.452 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnc(N(C)C)c2)C[C@@H]1C ZINC000754050636 644316280 /nfs/dbraw/zinc/31/62/80/644316280.db2.gz PMAKUKAOSRECPN-HOCLYGCPSA-N 2 1 290.455 2.452 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnc(N(C)C)c2)C[C@@H]1C ZINC000754050636 644316282 /nfs/dbraw/zinc/31/62/82/644316282.db2.gz PMAKUKAOSRECPN-HOCLYGCPSA-N 2 1 290.455 2.452 20 0 CEADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCF)C2)ccn1 ZINC000856603384 644697674 /nfs/dbraw/zinc/69/76/74/644697674.db2.gz JELFFCSMKFTTGO-MRXNPFEDSA-N 2 1 295.402 2.344 20 0 CEADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCF)C2)ccn1 ZINC000856603384 644697687 /nfs/dbraw/zinc/69/76/87/644697687.db2.gz JELFFCSMKFTTGO-MRXNPFEDSA-N 2 1 295.402 2.344 20 0 CEADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCF)C2)ccn1 ZINC000856603384 644697691 /nfs/dbraw/zinc/69/76/91/644697691.db2.gz JELFFCSMKFTTGO-MRXNPFEDSA-N 2 1 295.402 2.344 20 0 CEADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCF)C2)ccn1 ZINC000856603384 644697696 /nfs/dbraw/zinc/69/76/96/644697696.db2.gz JELFFCSMKFTTGO-MRXNPFEDSA-N 2 1 295.402 2.344 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000756933552 644708772 /nfs/dbraw/zinc/70/87/72/644708772.db2.gz SYUAAUNNQHVQHZ-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cccc(F)c2)CC1(C)C ZINC000858110259 645064537 /nfs/dbraw/zinc/06/45/37/645064537.db2.gz OFACBJFLWOTDBQ-LSDHHAIUSA-N 2 1 280.387 2.322 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(F)c2)[C@@H](C)C1 ZINC000858147683 645075246 /nfs/dbraw/zinc/07/52/46/645075246.db2.gz XKWGQRWQLMODMO-WCQYABFASA-N 2 1 251.349 2.041 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(F)c2)[C@@H](C)C1 ZINC000858147683 645075251 /nfs/dbraw/zinc/07/52/51/645075251.db2.gz XKWGQRWQLMODMO-WCQYABFASA-N 2 1 251.349 2.041 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1ccnc(F)c1)C1CC1 ZINC000858174386 645080159 /nfs/dbraw/zinc/08/01/59/645080159.db2.gz DFQULTBKMOTQKB-UHFFFAOYSA-N 2 1 251.349 2.185 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)n(C)n1 ZINC000858490855 645179659 /nfs/dbraw/zinc/17/96/59/645179659.db2.gz QUOARTLVXATWNI-KBPBESRZSA-N 2 1 264.417 2.111 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)n(C)n1 ZINC000858490855 645179664 /nfs/dbraw/zinc/17/96/64/645179664.db2.gz QUOARTLVXATWNI-KBPBESRZSA-N 2 1 264.417 2.111 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000878104469 650998969 /nfs/dbraw/zinc/99/89/69/650998969.db2.gz LYOZTAKSYHKHDB-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)c2ccccn2)cc1 ZINC000859214052 645421584 /nfs/dbraw/zinc/42/15/84/645421584.db2.gz UPNKLEJGOYTYSC-GOSISDBHSA-N 2 1 299.418 2.309 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000860095603 645699427 /nfs/dbraw/zinc/69/94/27/645699427.db2.gz HAZINPFNKXNMOP-GFCCVEGCSA-N 2 1 296.415 2.037 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000860095603 645699430 /nfs/dbraw/zinc/69/94/30/645699430.db2.gz HAZINPFNKXNMOP-GFCCVEGCSA-N 2 1 296.415 2.037 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878201252 651035644 /nfs/dbraw/zinc/03/56/44/651035644.db2.gz ZVTPLZSHIGLQIM-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1noc(C)c1CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000766532340 645900423 /nfs/dbraw/zinc/90/04/23/645900423.db2.gz WXLZVHXJSSVASX-FZMZJTMJSA-N 2 1 265.401 2.296 20 0 CEADMP CCOC(C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)OCC ZINC000767771148 646038170 /nfs/dbraw/zinc/03/81/70/646038170.db2.gz MIUIDNCLVDVBQZ-UHFFFAOYSA-N 2 1 286.460 2.438 20 0 CEADMP CC(C)CC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000768161154 646092298 /nfs/dbraw/zinc/09/22/98/646092298.db2.gz HRQNITBWAMLCNL-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000768161154 646092299 /nfs/dbraw/zinc/09/22/99/646092299.db2.gz HRQNITBWAMLCNL-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1c(C[NH2+]CCC[NH+]2CCCCC2)ccnc1F ZINC000862264670 646385201 /nfs/dbraw/zinc/38/52/01/646385201.db2.gz ZTJUHBRCUZVUFF-UHFFFAOYSA-N 2 1 265.376 2.495 20 0 CEADMP OC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000773007828 646695626 /nfs/dbraw/zinc/69/56/26/646695626.db2.gz IISHAPNWTQKJSE-GOSISDBHSA-N 2 1 288.435 2.054 20 0 CEADMP Cc1cccc(C)c1OCCC[N@@H+](C)C[C@H](C)[NH3+] ZINC000863568967 646759357 /nfs/dbraw/zinc/75/93/57/646759357.db2.gz OFHXDBNNFZIYEJ-AWEZNQCLSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1cccc(C)c1OCCC[N@H+](C)C[C@H](C)[NH3+] ZINC000863568967 646759360 /nfs/dbraw/zinc/75/93/60/646759360.db2.gz OFHXDBNNFZIYEJ-AWEZNQCLSA-N 2 1 250.386 2.351 20 0 CEADMP C[C@@H](C1CCCCC1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000773974939 646791802 /nfs/dbraw/zinc/79/18/02/646791802.db2.gz GIBKRAJDSZJTPZ-GOEBONIOSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000773974939 646791814 /nfs/dbraw/zinc/79/18/14/646791814.db2.gz GIBKRAJDSZJTPZ-GOEBONIOSA-N 2 1 268.445 2.344 20 0 CEADMP C[N@H+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000774160779 646811970 /nfs/dbraw/zinc/81/19/70/646811970.db2.gz BAVHQORUYXVMHY-AKHDSKFASA-N 2 1 299.462 2.476 20 0 CEADMP C[NH+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000774160779 646811973 /nfs/dbraw/zinc/81/19/73/646811973.db2.gz BAVHQORUYXVMHY-AKHDSKFASA-N 2 1 299.462 2.476 20 0 CEADMP C[NH+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000774160779 646811976 /nfs/dbraw/zinc/81/19/76/646811976.db2.gz BAVHQORUYXVMHY-AKHDSKFASA-N 2 1 299.462 2.476 20 0 CEADMP CN1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000774160779 646811980 /nfs/dbraw/zinc/81/19/80/646811980.db2.gz BAVHQORUYXVMHY-AKHDSKFASA-N 2 1 299.462 2.476 20 0 CEADMP CN1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000774160779 646811983 /nfs/dbraw/zinc/81/19/83/646811983.db2.gz BAVHQORUYXVMHY-AKHDSKFASA-N 2 1 299.462 2.476 20 0 CEADMP C[NH+](C)Cc1ccc(-c2noc(CCc3[nH]cc[nH+]3)n2)cc1 ZINC000863950325 646857513 /nfs/dbraw/zinc/85/75/13/646857513.db2.gz MMPXLRRUTWCQBL-UHFFFAOYSA-N 2 1 297.362 2.307 20 0 CEADMP CC(C)([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(F)c1 ZINC000775444224 646955118 /nfs/dbraw/zinc/95/51/18/646955118.db2.gz JPOIEYISJSXOBO-HNNXBMFYSA-N 2 1 280.387 2.107 20 0 CEADMP C[C@H]1C[C@H]1NC(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000864453640 647009359 /nfs/dbraw/zinc/00/93/59/647009359.db2.gz YHEMABGZFNTFPF-GXTWGEPZSA-N 2 1 266.433 2.163 20 0 CEADMP CCC(CC)NC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000864455871 647010539 /nfs/dbraw/zinc/01/05/39/647010539.db2.gz ZRDSTTBQGFBFAA-GFCCVEGCSA-N 2 1 254.422 2.019 20 0 CEADMP CC(=O)NCC1CCC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000865435517 647291611 /nfs/dbraw/zinc/29/16/11/647291611.db2.gz JNJNRHFDSLCVOA-CGZBRXJRSA-N 2 1 295.471 2.001 20 0 CEADMP C[N@H+]1CCC[C@@H]1CNc1cc[nH+]cc1C(F)(F)F ZINC000865466803 647307711 /nfs/dbraw/zinc/30/77/11/647307711.db2.gz OKIGXOKKNIIDQH-SECBINFHSA-N 2 1 259.275 2.028 20 0 CEADMP C[C@@H](CNc1cc[nH+]cc1C(F)(F)F)[N@@H+](C)C1CC1 ZINC000865504560 647330132 /nfs/dbraw/zinc/33/01/32/647330132.db2.gz SHEQWJDELOOHNV-VIFPVBQESA-N 2 1 273.302 2.417 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cn(C2CC2)cn1)C1CC1 ZINC000865595328 647377481 /nfs/dbraw/zinc/37/74/81/647377481.db2.gz ILBNGFDMNZDPPA-UHFFFAOYSA-N 2 1 262.401 2.182 20 0 CEADMP Cc1[nH+]ccn1CCN[C@@H]1c2ccccc2OC[C@H]1F ZINC000866251046 647695128 /nfs/dbraw/zinc/69/51/28/647695128.db2.gz MBSXSVOPWUCMFW-UKRRQHHQSA-N 2 1 275.327 2.253 20 0 CEADMP C[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000783216915 647695774 /nfs/dbraw/zinc/69/57/74/647695774.db2.gz WDFUEULSXQJELW-YOEHRIQHSA-N 2 1 274.408 2.407 20 0 CEADMP Cc1cccc(C[C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000866261480 647702161 /nfs/dbraw/zinc/70/21/61/647702161.db2.gz UBNJEEGMSOCVCB-RYQLBKOJSA-N 2 1 288.435 2.379 20 0 CEADMP Cc1cccc(C[C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000866261480 647702167 /nfs/dbraw/zinc/70/21/67/647702167.db2.gz UBNJEEGMSOCVCB-RYQLBKOJSA-N 2 1 288.435 2.379 20 0 CEADMP C[C@@H](CCc1cccnc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000866266450 647705277 /nfs/dbraw/zinc/70/52/77/647705277.db2.gz GZGGIOSBQBSTTJ-HNNXBMFYSA-N 2 1 291.439 2.103 20 0 CEADMP CS[C@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000866488453 647802730 /nfs/dbraw/zinc/80/27/30/647802730.db2.gz NYXNQLDDUPRCHW-RBSFLKMASA-N 2 1 284.469 2.113 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000866524331 647815219 /nfs/dbraw/zinc/81/52/19/647815219.db2.gz CTJSBZYJEYZGED-XQLPTFJDSA-N 2 1 296.455 2.427 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC23CCOCC3)CC[N@H+]1C ZINC000866529336 647816837 /nfs/dbraw/zinc/81/68/37/647816837.db2.gz OUOYSUCSRKPTAV-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP C[NH+]1CCC([NH2+]C2([C@H]3CCCCO3)CCC2)CC1 ZINC000866623435 647846028 /nfs/dbraw/zinc/84/60/28/647846028.db2.gz UYGIJEMXCPWUKV-CQSZACIVSA-N 2 1 252.402 2.162 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000866659726 647858522 /nfs/dbraw/zinc/85/85/22/647858522.db2.gz SQUTWKDSWLTBID-GDBMZVCRSA-N 2 1 289.423 2.383 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000866659726 647858526 /nfs/dbraw/zinc/85/85/26/647858526.db2.gz SQUTWKDSWLTBID-GDBMZVCRSA-N 2 1 289.423 2.383 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCC3CC3)C2)C1 ZINC000866667748 647862362 /nfs/dbraw/zinc/86/23/62/647862362.db2.gz XPFDSHYIOGCKFZ-OAGGEKHMSA-N 2 1 266.429 2.395 20 0 CEADMP CC1(C)CC[C@H](C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)OC1 ZINC000866668344 647862734 /nfs/dbraw/zinc/86/27/34/647862734.db2.gz DFVLYDPRYJYORE-UMVBOHGHSA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)OC1 ZINC000866668344 647862736 /nfs/dbraw/zinc/86/27/36/647862736.db2.gz DFVLYDPRYJYORE-UMVBOHGHSA-N 2 1 252.402 2.005 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784574769 647863960 /nfs/dbraw/zinc/86/39/60/647863960.db2.gz JNWMHPVUUBGWKN-CVEARBPZSA-N 2 1 296.455 2.336 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784574769 647863963 /nfs/dbraw/zinc/86/39/63/647863963.db2.gz JNWMHPVUUBGWKN-CVEARBPZSA-N 2 1 296.455 2.336 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784574769 647863967 /nfs/dbraw/zinc/86/39/67/647863967.db2.gz JNWMHPVUUBGWKN-CVEARBPZSA-N 2 1 296.455 2.336 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](OC)CC[C@@H]2C)cc1 ZINC000866685256 647868491 /nfs/dbraw/zinc/86/84/91/647868491.db2.gz GOFAMCKMSSNBFO-LXZKKBNFSA-N 2 1 292.423 2.237 20 0 CEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866697101 647872673 /nfs/dbraw/zinc/87/26/73/647872673.db2.gz FTUPLSWTTVZHHU-HIFRSBDPSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000866706074 647876838 /nfs/dbraw/zinc/87/68/38/647876838.db2.gz LDMYWLHNZIFARB-QGZVFWFLSA-N 2 1 295.471 2.132 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1)C1CC1 ZINC000866709541 647878258 /nfs/dbraw/zinc/87/82/58/647878258.db2.gz RZEASBGVZJKLGZ-GDBMZVCRSA-N 2 1 268.445 2.498 20 0 CEADMP CCCCOC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121634322 647907649 /nfs/dbraw/zinc/90/76/49/647907649.db2.gz CZIUNTNNAXEKPR-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000785427218 647928003 /nfs/dbraw/zinc/92/80/03/647928003.db2.gz NSSBZFATMNJHBW-ZIAGYGMSSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000785427218 647928006 /nfs/dbraw/zinc/92/80/06/647928006.db2.gz NSSBZFATMNJHBW-ZIAGYGMSSA-N 2 1 263.360 2.246 20 0 CEADMP COCC[N@H+](Cc1ccc(C)o1)CC1CC[NH+](C)CC1 ZINC000788488254 648193656 /nfs/dbraw/zinc/19/36/56/648193656.db2.gz OBYUOSRLMBPNJT-UHFFFAOYSA-N 2 1 280.412 2.378 20 0 CEADMP CO[C@@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCC1 ZINC000871784333 649184623 /nfs/dbraw/zinc/18/46/23/649184623.db2.gz APNPCFUUSDVBDN-DKUMPPAJSA-N 2 1 295.427 2.173 20 0 CEADMP CO[C@@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCC1 ZINC000871784333 649184626 /nfs/dbraw/zinc/18/46/26/649184626.db2.gz APNPCFUUSDVBDN-DKUMPPAJSA-N 2 1 295.427 2.173 20 0 CEADMP C1CC1[N@@H+]1CCC[C@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871797750 649189377 /nfs/dbraw/zinc/18/93/77/649189377.db2.gz BFXNMYIVXLSXPM-CMGMYYOESA-N 2 1 288.395 2.367 20 0 CEADMP C1CC1[N@H+]1CCC[C@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871797750 649189381 /nfs/dbraw/zinc/18/93/81/649189381.db2.gz BFXNMYIVXLSXPM-CMGMYYOESA-N 2 1 288.395 2.367 20 0 CEADMP C[C@H](C1CC1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000871972978 649232950 /nfs/dbraw/zinc/23/29/50/649232950.db2.gz GMICIASRPBJJNY-CRAIPNDOSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@H](C1CC1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000871972978 649232951 /nfs/dbraw/zinc/23/29/51/649232951.db2.gz GMICIASRPBJJNY-CRAIPNDOSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@H](C1CC1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000871972978 649232952 /nfs/dbraw/zinc/23/29/52/649232952.db2.gz GMICIASRPBJJNY-CRAIPNDOSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@H](C1CC1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000871972978 649232954 /nfs/dbraw/zinc/23/29/54/649232954.db2.gz GMICIASRPBJJNY-CRAIPNDOSA-N 2 1 288.435 2.354 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)[C@@H](C)C1 ZINC000872122108 649283590 /nfs/dbraw/zinc/28/35/90/649283590.db2.gz BQSCQCFEFAWURC-WCQYABFASA-N 2 1 289.379 2.353 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)[C@@H](C)C1 ZINC000872122108 649283594 /nfs/dbraw/zinc/28/35/94/649283594.db2.gz BQSCQCFEFAWURC-WCQYABFASA-N 2 1 289.379 2.353 20 0 CEADMP O=c1[nH]c2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2o1 ZINC000872123246 649284433 /nfs/dbraw/zinc/28/44/33/649284433.db2.gz NPYHZDQWBLDUKV-STQMWFEESA-N 2 1 287.363 2.250 20 0 CEADMP O=c1[nH]c2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)ccc2o1 ZINC000872123246 649284436 /nfs/dbraw/zinc/28/44/36/649284436.db2.gz NPYHZDQWBLDUKV-STQMWFEESA-N 2 1 287.363 2.250 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872141462 649290575 /nfs/dbraw/zinc/29/05/75/649290575.db2.gz HFYZJZQDPBBIDS-BLSAQUIMSA-N 2 1 264.413 2.288 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C)c(C(=O)OC)c2)C1 ZINC000872142250 649291240 /nfs/dbraw/zinc/29/12/40/649291240.db2.gz PLAFYWBKJXJLDB-HNNXBMFYSA-N 2 1 290.407 2.213 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C(=O)OC)c2)C1 ZINC000872142250 649291243 /nfs/dbraw/zinc/29/12/43/649291243.db2.gz PLAFYWBKJXJLDB-HNNXBMFYSA-N 2 1 290.407 2.213 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000872143346 649293053 /nfs/dbraw/zinc/29/30/53/649293053.db2.gz PCRMHLVYZYSCHQ-KLHDSHLOSA-N 2 1 264.413 2.020 20 0 CEADMP COc1ccc(OCCC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872152369 649297218 /nfs/dbraw/zinc/29/72/18/649297218.db2.gz QCBBVKZQSJLPJH-WMLDXEAASA-N 2 1 290.407 2.005 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCc1c(F)cccc1F)C2 ZINC000872153642 649297885 /nfs/dbraw/zinc/29/78/85/649297885.db2.gz FSZQIKLCURFIEG-BLLLJJGKSA-N 2 1 280.362 2.439 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCc1c(F)cccc1F)C2 ZINC000872153642 649297887 /nfs/dbraw/zinc/29/78/87/649297887.db2.gz FSZQIKLCURFIEG-BLLLJJGKSA-N 2 1 280.362 2.439 20 0 CEADMP CSc1ccccc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153428 649297922 /nfs/dbraw/zinc/29/79/22/649297922.db2.gz AASTUXNCIIZTQJ-DZGCQCFKSA-N 2 1 262.422 2.450 20 0 CEADMP CSc1ccccc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153428 649297925 /nfs/dbraw/zinc/29/79/25/649297925.db2.gz AASTUXNCIIZTQJ-DZGCQCFKSA-N 2 1 262.422 2.450 20 0 CEADMP COCCOCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158916 649300671 /nfs/dbraw/zinc/30/06/71/649300671.db2.gz ZGSDQIWJKCOXFH-WBVHZDCISA-N 2 1 298.471 2.269 20 0 CEADMP [NH3+][C@@H](CNCc1cc2c(s1)CC[NH2+]C2)c1ccccc1 ZINC000873210377 649591009 /nfs/dbraw/zinc/59/10/09/649591009.db2.gz DLFVMGLXLPDHIU-HNNXBMFYSA-N 2 1 287.432 2.183 20 0 CEADMP c1c(C[N@@H+]2CCO[C@H](C3CCC3)C2)sc2c1C[NH2+]CC2 ZINC000873213790 649592143 /nfs/dbraw/zinc/59/21/43/649592143.db2.gz PQQPTQVRYKHJDB-HNNXBMFYSA-N 2 1 292.448 2.395 20 0 CEADMP c1c(C[N@H+]2CCO[C@H](C3CCC3)C2)sc2c1C[NH2+]CC2 ZINC000873213790 649592148 /nfs/dbraw/zinc/59/21/48/649592148.db2.gz PQQPTQVRYKHJDB-HNNXBMFYSA-N 2 1 292.448 2.395 20 0 CEADMP Cc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cnc1Cl ZINC000873216675 649594269 /nfs/dbraw/zinc/59/42/69/649594269.db2.gz QVUFXRZVELODPM-CMPLNLGQSA-N 2 1 253.777 2.070 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cnc1Cl ZINC000873216675 649594273 /nfs/dbraw/zinc/59/42/73/649594273.db2.gz QVUFXRZVELODPM-CMPLNLGQSA-N 2 1 253.777 2.070 20 0 CEADMP c1ccc2c(c1)CC[C@@]21CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000873227578 649599490 /nfs/dbraw/zinc/59/94/90/649599490.db2.gz LSJUSSCPVAPRNA-GMXGEUMGSA-N 2 1 268.404 2.328 20 0 CEADMP c1ccc2c(c1)CC[C@@]21CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000873227578 649599494 /nfs/dbraw/zinc/59/94/94/649599494.db2.gz LSJUSSCPVAPRNA-GMXGEUMGSA-N 2 1 268.404 2.328 20 0 CEADMP CC(C)C[C@H](N)C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232367 649603414 /nfs/dbraw/zinc/60/34/14/649603414.db2.gz XOHZSEQSZYDRIL-LSDHHAIUSA-N 2 1 267.461 2.262 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC(C)(C)C[NH2+]2)[C@H](C)C1 ZINC000873235304 649603968 /nfs/dbraw/zinc/60/39/68/649603968.db2.gz NLSVEKAKYNSQNH-KFWWJZLASA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1noc2cc(F)ccc21 ZINC000873274907 649620672 /nfs/dbraw/zinc/62/06/72/649620672.db2.gz HKIPGJWXNJQUKE-IUCAKERBSA-N 2 1 251.305 2.182 20 0 CEADMP C[C@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000873276339 649622095 /nfs/dbraw/zinc/62/20/95/649622095.db2.gz SMDYHLBQOZJAFQ-IHRRRGAJSA-N 2 1 252.402 2.208 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000873281958 649624154 /nfs/dbraw/zinc/62/41/54/649624154.db2.gz DDHJBNWZFIIEDW-QWRGUYRKSA-N 2 1 276.409 2.421 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc(N)cc(F)c1 ZINC000873290535 649629054 /nfs/dbraw/zinc/62/90/54/649629054.db2.gz REZVGXDGPINMER-PXAZEXFGSA-N 2 1 287.382 2.456 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2Cc3ccccc3C[NH2+]2)[C@@H](C)C1 ZINC000873292650 649630131 /nfs/dbraw/zinc/63/01/31/649630131.db2.gz CRNFKKYLEPGSQX-WBAXXEDZSA-N 2 1 287.451 2.021 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000020088821 649723999 /nfs/dbraw/zinc/72/39/99/649723999.db2.gz JFQAMPUYOFDPMM-CYBMUJFWSA-N 2 1 278.444 2.391 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000020088821 649724000 /nfs/dbraw/zinc/72/40/00/649724000.db2.gz JFQAMPUYOFDPMM-CYBMUJFWSA-N 2 1 278.444 2.391 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000873930654 649730691 /nfs/dbraw/zinc/73/06/91/649730691.db2.gz RWTZNCOSQATRFA-AWEZNQCLSA-N 2 1 275.396 2.029 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3C[C@H]4CCC[C@H]4O3)C2)C1 ZINC000878652386 651153275 /nfs/dbraw/zinc/15/32/75/651153275.db2.gz OXWOKKYYBPLJJK-TWMKSMIVSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3C[C@H]4CCC[C@H]4O3)C2)C1 ZINC000878652386 651153276 /nfs/dbraw/zinc/15/32/76/651153276.db2.gz OXWOKKYYBPLJJK-TWMKSMIVSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3C[C@H]4CCC[C@H]4O3)C2)C1 ZINC000878652386 651153277 /nfs/dbraw/zinc/15/32/77/651153277.db2.gz OXWOKKYYBPLJJK-TWMKSMIVSA-N 2 1 278.440 2.362 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC[C@H](C)C1 ZINC000879126968 651245828 /nfs/dbraw/zinc/24/58/28/651245828.db2.gz PIXGJOPDFPGZFC-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879565031 651322787 /nfs/dbraw/zinc/32/27/87/651322787.db2.gz KHBSQXPHLKBVFE-QWHCGFSZSA-N 2 1 265.426 2.038 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879565031 651322791 /nfs/dbraw/zinc/32/27/91/651322791.db2.gz KHBSQXPHLKBVFE-QWHCGFSZSA-N 2 1 265.426 2.038 20 0 CEADMP Cc1cnc(CCN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(C)c1 ZINC000879578086 651325137 /nfs/dbraw/zinc/32/51/37/651325137.db2.gz ATMIMBHZHPOWPZ-NVXWUHKLSA-N 2 1 273.424 2.267 20 0 CEADMP Cc1cnc(CC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(C)c1 ZINC000879578086 651325138 /nfs/dbraw/zinc/32/51/38/651325138.db2.gz ATMIMBHZHPOWPZ-NVXWUHKLSA-N 2 1 273.424 2.267 20 0 CEADMP Cc1cnc(CC[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(C)c1 ZINC000879578086 651325139 /nfs/dbraw/zinc/32/51/39/651325139.db2.gz ATMIMBHZHPOWPZ-NVXWUHKLSA-N 2 1 273.424 2.267 20 0 CEADMP Cc1cnc(CC[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c(C)c1 ZINC000879578086 651325140 /nfs/dbraw/zinc/32/51/40/651325140.db2.gz ATMIMBHZHPOWPZ-NVXWUHKLSA-N 2 1 273.424 2.267 20 0 CEADMP Cc1cnc(CC[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c(C)c1 ZINC000879578086 651325141 /nfs/dbraw/zinc/32/51/41/651325141.db2.gz ATMIMBHZHPOWPZ-NVXWUHKLSA-N 2 1 273.424 2.267 20 0 CEADMP CC(C)C[N@@H+](Cc1cnsn1)CC1CC[NH+](C)CC1 ZINC000879703129 651341705 /nfs/dbraw/zinc/34/17/05/651341705.db2.gz DLTVOUONQISBGI-UHFFFAOYSA-N 2 1 282.457 2.338 20 0 CEADMP CC(C)C[N@H+](Cc1cnsn1)CC1CC[NH+](C)CC1 ZINC000879703129 651341706 /nfs/dbraw/zinc/34/17/06/651341706.db2.gz DLTVOUONQISBGI-UHFFFAOYSA-N 2 1 282.457 2.338 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@]2(C(=O)OC)CCC[C@H]12 ZINC000880182844 651396415 /nfs/dbraw/zinc/39/64/15/651396415.db2.gz BZRRWLNURMQVGV-GOEBONIOSA-N 2 1 282.428 2.136 20 0 CEADMP O[C@@]1(C[NH+]2CCC(F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000880238412 651406718 /nfs/dbraw/zinc/40/67/18/651406718.db2.gz FKBVVHSJXUWQID-QGZVFWFLSA-N 2 1 292.398 2.057 20 0 CEADMP O[C@@]1(C[NH+]2CCC(F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000880238412 651406719 /nfs/dbraw/zinc/40/67/19/651406719.db2.gz FKBVVHSJXUWQID-QGZVFWFLSA-N 2 1 292.398 2.057 20 0 CEADMP CC[C@H](O)C[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880253855 651410605 /nfs/dbraw/zinc/41/06/05/651410605.db2.gz CNGRFGOHOCLBJE-HNNXBMFYSA-N 2 1 268.445 2.488 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CCC(=O)CC2)CCN1c1cc[nH+]cc1 ZINC000880258879 651411095 /nfs/dbraw/zinc/41/10/95/651411095.db2.gz DMIRQQOVNDDAKR-CQSZACIVSA-N 2 1 287.407 2.351 20 0 CEADMP C[C@H]1C[N@@H+](CCOC(C)(C)C)CCN1c1cc[nH+]cc1 ZINC000880259006 651411522 /nfs/dbraw/zinc/41/15/22/651411522.db2.gz GFQNSMDTKOITEA-AWEZNQCLSA-N 2 1 277.412 2.407 20 0 CEADMP CCn1cc(CC[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cn1 ZINC000880260252 651412146 /nfs/dbraw/zinc/41/21/46/651412146.db2.gz OWCWJWYZNJNXGL-OAHLLOKOSA-N 2 1 299.422 2.051 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880262664 651412461 /nfs/dbraw/zinc/41/24/61/651412461.db2.gz RPNQYTWBCDPUHA-CYBMUJFWSA-N 2 1 299.422 2.143 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)c1ccccc1 ZINC000880371864 651431369 /nfs/dbraw/zinc/43/13/69/651431369.db2.gz PABGNNLFTGGHCO-SJORKVTESA-N 2 1 276.424 2.310 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)c1ccccc1 ZINC000880371864 651431370 /nfs/dbraw/zinc/43/13/70/651431370.db2.gz PABGNNLFTGGHCO-SJORKVTESA-N 2 1 276.424 2.310 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)c1ccccc1 ZINC000880371864 651431373 /nfs/dbraw/zinc/43/13/73/651431373.db2.gz PABGNNLFTGGHCO-SJORKVTESA-N 2 1 276.424 2.310 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)c1ccccc1 ZINC000880371864 651431374 /nfs/dbraw/zinc/43/13/74/651431374.db2.gz PABGNNLFTGGHCO-SJORKVTESA-N 2 1 276.424 2.310 20 0 CEADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000130933358 652358269 /nfs/dbraw/zinc/35/82/69/652358269.db2.gz WYMPJKXUMFKNRR-STQMWFEESA-N 2 1 278.396 2.354 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883417392 652462266 /nfs/dbraw/zinc/46/22/66/652462266.db2.gz YUNAKUYXEUZGAS-BPUTZDHNSA-N 2 1 260.381 2.187 20 0 CEADMP C=C/C=C/CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000883434948 652469076 /nfs/dbraw/zinc/46/90/76/652469076.db2.gz FUKTZSWDVXBMPB-OUUQNZETSA-N 2 1 264.413 2.480 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C(C)(C)O1 ZINC000883437224 652469450 /nfs/dbraw/zinc/46/94/50/652469450.db2.gz MXWCWWZAVBANJJ-XJKCOSOUSA-N 2 1 266.429 2.393 20 0 CEADMP Cc1ccc2c(C[NH2+][C@H]3C[C@@H]([NH3+])C3(C)C)cc(=O)oc2c1 ZINC000883442445 652471557 /nfs/dbraw/zinc/47/15/57/652471557.db2.gz LNRXDNAEXGWLRZ-CABCVRRESA-N 2 1 286.375 2.317 20 0 CEADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CCN1c1cc[nH+]cc1 ZINC000883447622 652473109 /nfs/dbraw/zinc/47/31/09/652473109.db2.gz HDYRAQIRBMLJCZ-HNNXBMFYSA-N 2 1 276.428 2.111 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCSC(F)(F)F)CC[N@H+]1C ZINC000132462300 652522494 /nfs/dbraw/zinc/52/24/94/652522494.db2.gz FASPBWUSEVUQQV-RKDXNWHRSA-N 2 1 256.337 2.312 20 0 CEADMP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCCC13COC3)C2 ZINC001167995475 805599496 /nfs/dbraw/zinc/59/94/96/805599496.db2.gz GTDGVPMKHGZKJN-XYPWUTKMSA-N 2 1 276.424 2.257 20 0 CEADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCCC13COC3)C2 ZINC001167995475 805599503 /nfs/dbraw/zinc/59/95/03/805599503.db2.gz GTDGVPMKHGZKJN-XYPWUTKMSA-N 2 1 276.424 2.257 20 0 CEADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CCCC13COC3)C2 ZINC001167995475 805599506 /nfs/dbraw/zinc/59/95/06/805599506.db2.gz GTDGVPMKHGZKJN-XYPWUTKMSA-N 2 1 276.424 2.257 20 0 CEADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CCCC13COC3)C2 ZINC001167995475 805599512 /nfs/dbraw/zinc/59/95/12/805599512.db2.gz GTDGVPMKHGZKJN-XYPWUTKMSA-N 2 1 276.424 2.257 20 0 CEADMP CC[N@H+]1CCN(C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC001168395216 807071238 /nfs/dbraw/zinc/07/12/38/807071238.db2.gz QSLGADSHFHGAKE-UHFFFAOYSA-N 2 1 279.472 2.277 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC=C(C)C)C1 ZINC001271539402 805987945 /nfs/dbraw/zinc/98/79/45/805987945.db2.gz ISDLJVMVAOPTJR-JKSUJKDBSA-N 2 1 295.471 2.121 20 0 CEADMP C[C@@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)O1 ZINC000688883307 805990666 /nfs/dbraw/zinc/99/06/66/805990666.db2.gz KNGRXZCCKUSNDN-OIYCOIKZSA-N 2 1 252.402 2.159 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCC(C)C)C1 ZINC001271681789 806019971 /nfs/dbraw/zinc/01/99/71/806019971.db2.gz AVHTUXMLUPEQHL-HOTGVXAUSA-N 2 1 297.487 2.058 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001029758987 806063788 /nfs/dbraw/zinc/06/37/88/806063788.db2.gz ILXYIEDGBVTQHM-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001029758987 806063798 /nfs/dbraw/zinc/06/37/98/806063798.db2.gz ILXYIEDGBVTQHM-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001029758987 806063808 /nfs/dbraw/zinc/06/38/08/806063808.db2.gz ILXYIEDGBVTQHM-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001088336912 806134234 /nfs/dbraw/zinc/13/42/34/806134234.db2.gz PGLPBSKUZHEGRK-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001088382212 806174919 /nfs/dbraw/zinc/17/49/19/806174919.db2.gz WSSCUNRAWCRDFT-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CCC[NH+]1CCC1 ZINC000697435599 806371523 /nfs/dbraw/zinc/37/15/23/806371523.db2.gz CHOAPPBFTLPRAW-CQSZACIVSA-N 2 1 297.443 2.071 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001168231554 806428104 /nfs/dbraw/zinc/42/81/04/806428104.db2.gz RBCGYSOAZYNCEL-XJKSGUPXSA-N 2 1 274.408 2.094 20 0 CEADMP COc1ccc2c(c1)C[C@H]([N@H+]1CC[C@]3(CC[NH+](C)C3)C1)C2 ZINC001168282685 806606287 /nfs/dbraw/zinc/60/62/87/806606287.db2.gz LNXXXDKIPGPNRY-AEFFLSMTSA-N 2 1 286.419 2.190 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH+]1CC[C@]3(CC[N@H+](C)C3)C1)C2 ZINC001168282685 806606291 /nfs/dbraw/zinc/60/62/91/806606291.db2.gz LNXXXDKIPGPNRY-AEFFLSMTSA-N 2 1 286.419 2.190 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH+]1CC[C@]3(CC[N@@H+](C)C3)C1)C2 ZINC001168282685 806606295 /nfs/dbraw/zinc/60/62/95/806606295.db2.gz LNXXXDKIPGPNRY-AEFFLSMTSA-N 2 1 286.419 2.190 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC001168315885 806647140 /nfs/dbraw/zinc/64/71/40/806647140.db2.gz PPFDBFKVXJGSOZ-LMPOIIKSSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@](CO)(C(F)(F)F)C2)CC1 ZINC001168313432 806647844 /nfs/dbraw/zinc/64/78/44/806647844.db2.gz CSOGBSZPEWCQTN-BPCQOVAHSA-N 2 1 294.361 2.106 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](Oc3cccnc3)C2)CC1 ZINC001168322732 806653712 /nfs/dbraw/zinc/65/37/12/806653712.db2.gz GJHSNYRBXDYKIO-DQPZFDDXSA-N 2 1 289.423 2.408 20 0 CEADMP COC(=O)[C@@H]1CCC[N@@H+](C2CCC([NH+](C)C)CC2)[C@H]1C ZINC001168323711 806654508 /nfs/dbraw/zinc/65/45/08/806654508.db2.gz BCQHSUGOHQMWTE-VXGQWTEUSA-N 2 1 282.428 2.133 20 0 CEADMP COC(=O)C[C@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168326633 806656096 /nfs/dbraw/zinc/65/60/96/806656096.db2.gz CREHPMHJJRFKGR-WLYUNCDWSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCc3cccnc3C2)CC1 ZINC001168327970 806658013 /nfs/dbraw/zinc/65/80/13/806658013.db2.gz VTPAEIGPRAGSCP-UHFFFAOYSA-N 2 1 259.397 2.313 20 0 CEADMP C[NH+](C)C1CCC([N@@H+]2CCOC[C@@H]2c2cccnc2)CC1 ZINC001168328235 806658691 /nfs/dbraw/zinc/65/86/91/806658691.db2.gz AZTJBBGTJOUYOC-OFLPRAFFSA-N 2 1 289.423 2.328 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCOC[C@@H]2c2cccnc2)CC1 ZINC001168328235 806658694 /nfs/dbraw/zinc/65/86/94/806658694.db2.gz AZTJBBGTJOUYOC-OFLPRAFFSA-N 2 1 289.423 2.328 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001088792390 806723088 /nfs/dbraw/zinc/72/30/88/806723088.db2.gz LDPDGUXFYPYWEV-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP C[C@](CO)([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001168362991 806746615 /nfs/dbraw/zinc/74/66/15/806746615.db2.gz OSHXGNLMGGCKGV-GOSISDBHSA-N 2 1 288.435 2.358 20 0 CEADMP CC[C@@H](C)C[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC001168363556 806756671 /nfs/dbraw/zinc/75/66/71/806756671.db2.gz JKIMOUIPDGCVLZ-CQSZACIVSA-N 2 1 294.443 2.114 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CSCCS1 ZINC000159905885 806842893 /nfs/dbraw/zinc/84/28/93/806842893.db2.gz SXEGZIHFGMLVCH-JHJVBQTASA-N 2 1 272.483 2.051 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OC[C@H]1CCCC[NH+]1C)C2 ZINC001224702954 806905283 /nfs/dbraw/zinc/90/52/83/806905283.db2.gz PPALXGYBWGBCKX-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](OC[C@H]1CCCC[N@@H+]1C)C2 ZINC001224702954 806905285 /nfs/dbraw/zinc/90/52/85/806905285.db2.gz PPALXGYBWGBCKX-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](OC[C@H]1CCCC[N@H+]1C)C2 ZINC001224702954 806905287 /nfs/dbraw/zinc/90/52/87/806905287.db2.gz PPALXGYBWGBCKX-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP COC(=O)[C@H](C)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001208717160 802403315 /nfs/dbraw/zinc/40/33/15/802403315.db2.gz FDBGHXIMXKTKBD-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP CN1CCC([N@@H+](C)C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001208987871 802444528 /nfs/dbraw/zinc/44/45/28/802444528.db2.gz LMMJMJGWZBGWFG-AWEZNQCLSA-N 2 1 297.443 2.022 20 0 CEADMP CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001208987871 802444533 /nfs/dbraw/zinc/44/45/33/802444533.db2.gz LMMJMJGWZBGWFG-AWEZNQCLSA-N 2 1 297.443 2.022 20 0 CEADMP CC/C=C\CC[N@@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001266362820 802489942 /nfs/dbraw/zinc/48/99/42/802489942.db2.gz WHTLIAOGKPKNCT-JTUDCUDASA-N 2 1 295.471 2.264 20 0 CEADMP C(CC1OCCO1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001209303045 802496231 /nfs/dbraw/zinc/49/62/31/802496231.db2.gz FWDJFNQHPHAGAW-UHFFFAOYSA-N 2 1 282.428 2.090 20 0 CEADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)c(O)cc3C)C[C@H]2C1 ZINC001140204706 802692447 /nfs/dbraw/zinc/69/24/47/802692447.db2.gz ZPQTWFQDNKYTNI-HZPDHXFCSA-N 2 1 274.408 2.393 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001211278289 802807657 /nfs/dbraw/zinc/80/76/57/802807657.db2.gz RELBSJSXDYRFRD-OAHLLOKOSA-N 2 1 297.487 2.343 20 0 CEADMP C[N@H+](C1CC[NH+](C)CC1)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169987062 811842013 /nfs/dbraw/zinc/84/20/13/811842013.db2.gz CMYIGYQMVWGHEO-UHFFFAOYSA-N 2 1 283.460 2.423 20 0 CEADMP C[N@@H+](C1CC[NH+](C)CC1)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169987062 811842025 /nfs/dbraw/zinc/84/20/25/811842025.db2.gz CMYIGYQMVWGHEO-UHFFFAOYSA-N 2 1 283.460 2.423 20 0 CEADMP Cc1cc(C)nc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000723845202 802947704 /nfs/dbraw/zinc/94/77/04/802947704.db2.gz GDHWYIJYCKZYFF-INIZCTEOSA-N 2 1 259.397 2.274 20 0 CEADMP Cc1cc(C)nc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000723845202 802947711 /nfs/dbraw/zinc/94/77/11/802947711.db2.gz GDHWYIJYCKZYFF-INIZCTEOSA-N 2 1 259.397 2.274 20 0 CEADMP C[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000088715556 802977313 /nfs/dbraw/zinc/97/73/13/802977313.db2.gz BABPGAGXWMJFHA-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207287355 803135342 /nfs/dbraw/zinc/13/53/42/803135342.db2.gz BXFSDYMDVWWMFC-INIZCTEOSA-N 2 1 284.444 2.239 20 0 CEADMP CC[C@H](C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CC1)[NH+](C)C ZINC001267169536 803191040 /nfs/dbraw/zinc/19/10/40/803191040.db2.gz REKVNHHJIZDXIR-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(=O)CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001167630607 803219590 /nfs/dbraw/zinc/21/95/90/803219590.db2.gz XUFMHOITQPEKMR-CQSZACIVSA-N 2 1 286.379 2.352 20 0 CEADMP CCCC[NH2+][C@@H](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001267492165 803509172 /nfs/dbraw/zinc/50/91/72/803509172.db2.gz FXUZVFXRHFKLNQ-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001140807123 803559556 /nfs/dbraw/zinc/55/95/56/803559556.db2.gz MXGUDMCRWRTGQY-HNNXBMFYSA-N 2 1 257.337 2.318 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001140807123 803559560 /nfs/dbraw/zinc/55/95/60/803559560.db2.gz MXGUDMCRWRTGQY-HNNXBMFYSA-N 2 1 257.337 2.318 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1CCC(O)CC1 ZINC001117777363 814948224 /nfs/dbraw/zinc/94/82/24/814948224.db2.gz MLVJREWBIQTDOE-PCKAHOCUSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1CCC(O)CC1 ZINC001117777363 814948227 /nfs/dbraw/zinc/94/82/27/814948227.db2.gz MLVJREWBIQTDOE-PCKAHOCUSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1CCC(O)CC1 ZINC001117777363 814948231 /nfs/dbraw/zinc/94/82/31/814948231.db2.gz MLVJREWBIQTDOE-PCKAHOCUSA-N 2 1 268.445 2.344 20 0 CEADMP CC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267616253 803621135 /nfs/dbraw/zinc/62/11/35/803621135.db2.gz DYZJVFFSTVWNFE-FZZYSBJUSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267616253 803621139 /nfs/dbraw/zinc/62/11/39/803621139.db2.gz DYZJVFFSTVWNFE-FZZYSBJUSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267616253 803621143 /nfs/dbraw/zinc/62/11/43/803621143.db2.gz DYZJVFFSTVWNFE-FZZYSBJUSA-N 2 1 293.455 2.018 20 0 CEADMP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267732245 803682187 /nfs/dbraw/zinc/68/21/87/803682187.db2.gz KIDWIXOQVMFXJX-LWULTOEVSA-N 2 1 295.471 2.264 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+]CCOCc2ccccc2)CC1 ZINC000390204326 803780539 /nfs/dbraw/zinc/78/05/39/803780539.db2.gz RYRHROCVOPRQJI-INIZCTEOSA-N 2 1 262.397 2.277 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]CC(C)C)C1 ZINC001267897686 803807563 /nfs/dbraw/zinc/80/75/63/803807563.db2.gz YQOACVBOKZQNEW-MRXNPFEDSA-N 2 1 297.487 2.203 20 0 CEADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]CCC(C)(C)C ZINC001268000430 803902796 /nfs/dbraw/zinc/90/27/96/803902796.db2.gz KLNVRVRQPBUBHZ-CABCVRRESA-N 2 1 297.487 2.249 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)ccc1F ZINC001118015453 814976562 /nfs/dbraw/zinc/97/65/62/814976562.db2.gz ADQMFRRDRGXPTD-CQSZACIVSA-N 2 1 266.360 2.312 20 0 CEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC001118019054 814976770 /nfs/dbraw/zinc/97/67/70/814976770.db2.gz MGLKOFXEWAJUCD-NSHDSACASA-N 2 1 259.353 2.028 20 0 CEADMP Cc1[nH+]c(N)ccc1CNc1ccc2[nH]c(N)[nH+]c2c1 ZINC001167785944 804164596 /nfs/dbraw/zinc/16/45/96/804164596.db2.gz IFVUPOYPOAKXOG-UHFFFAOYSA-N 2 1 268.324 2.043 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722327209 804292874 /nfs/dbraw/zinc/29/28/74/804292874.db2.gz ZGUJDGBMWCWGQZ-GWONACJQSA-N 2 1 264.413 2.288 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001167814949 804360253 /nfs/dbraw/zinc/36/02/53/804360253.db2.gz KGODMTITIDZSJM-UHFFFAOYSA-N 2 1 295.471 2.004 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC001167824076 804377122 /nfs/dbraw/zinc/37/71/22/804377122.db2.gz BWDWMGSVHGMEOA-GOEBONIOSA-N 2 1 283.460 2.097 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C)C1 ZINC001167825162 804384431 /nfs/dbraw/zinc/38/44/31/804384431.db2.gz GKZDQCKSWLZFFL-HUUCEWRRSA-N 2 1 255.450 2.133 20 0 CEADMP COc1ccc(NC(=[NH2+])SCC[NH3+])c2cc[nH]c21 ZINC001167914350 804406249 /nfs/dbraw/zinc/40/62/49/804406249.db2.gz KTKTVKXUYJSDMS-UHFFFAOYSA-N 2 1 264.354 2.215 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](C(=O)OC)C2(CC2)C1 ZINC001167836172 804428243 /nfs/dbraw/zinc/42/82/43/804428243.db2.gz WTRJTEPEKDSPBJ-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC(=O)NC2(CCCC2)C1 ZINC001167836195 804429782 /nfs/dbraw/zinc/42/97/82/804429782.db2.gz XFLRLHKJNOCXEJ-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001167837930 804433558 /nfs/dbraw/zinc/43/35/58/804433558.db2.gz OGLVTBQTVTTXOV-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP CCCC[NH+]1CCC([NH2+]Cc2c[nH]nc2C)CC1 ZINC000037150497 815018250 /nfs/dbraw/zinc/01/82/50/815018250.db2.gz DLKGPTUJUZPEHR-UHFFFAOYSA-N 2 1 250.390 2.072 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)C1CN(C)C1 ZINC001167841726 804445668 /nfs/dbraw/zinc/44/56/68/804445668.db2.gz PQWXVYREJRMQNQ-AWEZNQCLSA-N 2 1 255.450 2.133 20 0 CEADMP CCC/C=C\CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001268256518 804579735 /nfs/dbraw/zinc/57/97/35/804579735.db2.gz IFQOPBNGHRHGRW-XITLMJRVSA-N 2 1 295.471 2.075 20 0 CEADMP CCC/C=C\CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268256518 804579741 /nfs/dbraw/zinc/57/97/41/804579741.db2.gz IFQOPBNGHRHGRW-XITLMJRVSA-N 2 1 295.471 2.075 20 0 CEADMP CCC/C=C\CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268256518 804579747 /nfs/dbraw/zinc/57/97/47/804579747.db2.gz IFQOPBNGHRHGRW-XITLMJRVSA-N 2 1 295.471 2.075 20 0 CEADMP CCCCC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001268332965 804613268 /nfs/dbraw/zinc/61/32/68/804613268.db2.gz XDBJKXPSBKJBQV-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001268332965 804613272 /nfs/dbraw/zinc/61/32/72/804613272.db2.gz XDBJKXPSBKJBQV-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+](C[C@@H](O)CC1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000300072254 804618861 /nfs/dbraw/zinc/61/88/61/804618861.db2.gz LQKJPXBWIQDTTA-QXULXFAOSA-N 2 1 266.429 2.142 20 0 CEADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CC[NH2+]CC1=CCCCC1 ZINC001268425350 804665335 /nfs/dbraw/zinc/66/53/35/804665335.db2.gz DLUISKARHZGLGH-OAHLLOKOSA-N 2 1 295.471 2.311 20 0 CEADMP c1cc(N2CC3(C2)CCC[NH2+]C3)[nH+]c2c1CCCC2 ZINC000709930357 804777056 /nfs/dbraw/zinc/77/70/56/804777056.db2.gz KVHMUXCTPAUIBI-UHFFFAOYSA-N 2 1 257.381 2.150 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000228511836 805296483 /nfs/dbraw/zinc/29/64/83/805296483.db2.gz LZEPPDRRNQTRST-ZIAGYGMSSA-N 2 1 283.460 2.131 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4[nH]cnc4c3)C2)CC1 ZINC001137047820 815064498 /nfs/dbraw/zinc/06/44/98/815064498.db2.gz NZDNQPCUFFPNNS-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC2(CC[N@H+](Cc3ccc4nc[nH]c4c3)C2)CC1 ZINC001137047820 815064504 /nfs/dbraw/zinc/06/45/04/815064504.db2.gz NZDNQPCUFFPNNS-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4nc[nH]c4c3)C2)CC1 ZINC001137047820 815064509 /nfs/dbraw/zinc/06/45/09/815064509.db2.gz NZDNQPCUFFPNNS-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)[C@H]1CCOC1 ZINC001167964278 805446113 /nfs/dbraw/zinc/44/61/13/805446113.db2.gz OIIFKQDAPYXUFS-WZYMTQMTSA-N 2 1 264.413 2.018 20 0 CEADMP O=C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167965312 805463265 /nfs/dbraw/zinc/46/32/65/805463265.db2.gz AQBJIKIFSCWXLZ-MQVJKMGUSA-N 2 1 276.424 2.493 20 0 CEADMP CC1([NH3+])CN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001204966479 805479407 /nfs/dbraw/zinc/47/94/07/805479407.db2.gz XATBKKGLNJARIX-INIZCTEOSA-N 2 1 273.424 2.074 20 0 CEADMP CCCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001270604284 805483210 /nfs/dbraw/zinc/48/32/10/805483210.db2.gz QCGZPNVAQWALKU-HUUCEWRRSA-N 2 1 283.460 2.003 20 0 CEADMP c1cnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)nc1 ZINC001167968562 805493361 /nfs/dbraw/zinc/49/33/61/805493361.db2.gz RMXHFMXKXQYJJU-MQVJKMGUSA-N 2 1 286.423 2.014 20 0 CEADMP CCCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C(N)=O ZINC001167979194 805513485 /nfs/dbraw/zinc/51/34/85/805513485.db2.gz XTUFZONKOYQPHM-UYTSQGDYSA-N 2 1 293.455 2.026 20 0 CEADMP CCCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(N)=O ZINC001167979194 805513492 /nfs/dbraw/zinc/51/34/92/805513492.db2.gz XTUFZONKOYQPHM-UYTSQGDYSA-N 2 1 293.455 2.026 20 0 CEADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@H]1O ZINC001167982795 805518218 /nfs/dbraw/zinc/51/82/18/805518218.db2.gz AOQFZBHQLMKRTH-SNGNKRRRSA-N 2 1 278.440 2.095 20 0 CEADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@H]1O ZINC001167982795 805518225 /nfs/dbraw/zinc/51/82/25/805518225.db2.gz AOQFZBHQLMKRTH-SNGNKRRRSA-N 2 1 278.440 2.095 20 0 CEADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@H]1O ZINC001167982795 805518228 /nfs/dbraw/zinc/51/82/28/805518228.db2.gz AOQFZBHQLMKRTH-SNGNKRRRSA-N 2 1 278.440 2.095 20 0 CEADMP O[C@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167985077 805540680 /nfs/dbraw/zinc/54/06/80/805540680.db2.gz ULDXVYYGJFBUHU-WFVVYAPDSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167985077 805540686 /nfs/dbraw/zinc/54/06/86/805540686.db2.gz ULDXVYYGJFBUHU-WFVVYAPDSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167985077 805540689 /nfs/dbraw/zinc/54/06/89/805540689.db2.gz ULDXVYYGJFBUHU-WFVVYAPDSA-N 2 1 278.440 2.239 20 0 CEADMP Fc1cccc2c1CC[C@@H]([N@H+]1CCc3[nH+]ccn3CC1)C2 ZINC001171438486 815088171 /nfs/dbraw/zinc/08/81/71/815088171.db2.gz SHPFSDNNUSGWSR-CQSZACIVSA-N 2 1 285.366 2.438 20 0 CEADMP Fc1cccc2c1CC[C@@H]([N@@H+]1CCc3[nH+]ccn3CC1)C2 ZINC001171438486 815088178 /nfs/dbraw/zinc/08/81/78/815088178.db2.gz SHPFSDNNUSGWSR-CQSZACIVSA-N 2 1 285.366 2.438 20 0 CEADMP CCOC(=O)CCCCCC[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064789 807196976 /nfs/dbraw/zinc/19/69/76/807196976.db2.gz VQOYKTTZZHYFLK-KBPBESRZSA-N 2 1 270.417 2.312 20 0 CEADMP CCOC(=O)CCCCCC[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064789 807196980 /nfs/dbraw/zinc/19/69/80/807196980.db2.gz VQOYKTTZZHYFLK-KBPBESRZSA-N 2 1 270.417 2.312 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430007 807206415 /nfs/dbraw/zinc/20/64/15/807206415.db2.gz GEMNWCQZUUCGDJ-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CCCO1 ZINC001232144301 807223251 /nfs/dbraw/zinc/22/32/51/807223251.db2.gz HIKSMBCGOWMXNM-ZDUSSCGKSA-N 2 1 280.387 2.498 20 0 CEADMP C[N@H+](Cc1nc2ccccc2o1)CC1CC[NH2+]CC1 ZINC000094024668 807289912 /nfs/dbraw/zinc/28/99/12/807289912.db2.gz AUGOLXYFMGTIRR-UHFFFAOYSA-N 2 1 259.353 2.259 20 0 CEADMP COC[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000721961219 807374187 /nfs/dbraw/zinc/37/41/87/807374187.db2.gz MAXLRYABVMPZHB-RDGKXADDSA-N 2 1 254.418 2.120 20 0 CEADMP COc1ccc2[nH+]ccc(NCC(C)(C)C[NH+](C)C)c2n1 ZINC001168767766 807401969 /nfs/dbraw/zinc/40/19/69/807401969.db2.gz ITMBWQFXAYNSPD-UHFFFAOYSA-N 2 1 288.395 2.060 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001089189058 807412183 /nfs/dbraw/zinc/41/21/83/807412183.db2.gz NEYQUPAYVDEECG-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001089189058 807412185 /nfs/dbraw/zinc/41/21/85/807412185.db2.gz NEYQUPAYVDEECG-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001089189058 807412191 /nfs/dbraw/zinc/41/21/91/807412191.db2.gz NEYQUPAYVDEECG-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1n[nH]c(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1C ZINC000716454346 815125240 /nfs/dbraw/zinc/12/52/40/815125240.db2.gz CHLXKDHIEWCIQV-UHFFFAOYSA-N 2 1 264.417 2.237 20 0 CEADMP CCOc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccc1O ZINC001205094003 807575698 /nfs/dbraw/zinc/57/56/98/807575698.db2.gz IPERICNZIPWEHN-CYBMUJFWSA-N 2 1 264.369 2.104 20 0 CEADMP CO[C@@H]([C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000388294461 807635847 /nfs/dbraw/zinc/63/58/47/807635847.db2.gz YYVLGEIMIJZFLR-MYLLAERPSA-N 2 1 252.402 2.015 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716628406 815137330 /nfs/dbraw/zinc/13/73/30/815137330.db2.gz WQLCWIKXFJLDQD-MLHJIOFPSA-N 2 1 288.435 2.400 20 0 CEADMP CCOc1ccc(OC)cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205116620 807700305 /nfs/dbraw/zinc/70/03/05/807700305.db2.gz FATVLBOARMJQEK-CQSZACIVSA-N 2 1 278.396 2.407 20 0 CEADMP CCOc1ccc(OC)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205116620 807700313 /nfs/dbraw/zinc/70/03/13/807700313.db2.gz FATVLBOARMJQEK-CQSZACIVSA-N 2 1 278.396 2.407 20 0 CEADMP C[C@H](CCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716727927 815144169 /nfs/dbraw/zinc/14/41/69/815144169.db2.gz NLJAKZDVQWUZOZ-UBDQQSCGSA-N 2 1 288.435 2.400 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)C1 ZINC001235232443 807800510 /nfs/dbraw/zinc/80/05/10/807800510.db2.gz IZHCYRIGUZBIRY-NVXWUHKLSA-N 3 1 279.472 2.182 20 0 CEADMP CN1CCC[C@@H](C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)C1 ZINC001235232443 807800518 /nfs/dbraw/zinc/80/05/18/807800518.db2.gz IZHCYRIGUZBIRY-NVXWUHKLSA-N 2 1 279.472 2.182 20 0 CEADMP CC[N@H+]1CCC[C@H](CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC001119699805 815151466 /nfs/dbraw/zinc/15/14/66/815151466.db2.gz ZGRAFLWDAJKBPJ-KFWWJZLASA-N 2 1 267.461 2.214 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC001119699805 815151469 /nfs/dbraw/zinc/15/14/69/815151469.db2.gz ZGRAFLWDAJKBPJ-KFWWJZLASA-N 3 1 267.461 2.214 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC001119699805 815151470 /nfs/dbraw/zinc/15/14/70/815151470.db2.gz ZGRAFLWDAJKBPJ-KFWWJZLASA-N 3 1 267.461 2.214 20 0 CEADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106839663 807887076 /nfs/dbraw/zinc/88/70/76/807887076.db2.gz NBXSUSANTDFOFY-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CSC1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCCCC1 ZINC000388432670 808012401 /nfs/dbraw/zinc/01/24/01/808012401.db2.gz VBCMEJQVQVPKCN-AWEZNQCLSA-N 2 1 286.485 2.097 20 0 CEADMP CSC1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCCCC1 ZINC000388432670 808012405 /nfs/dbraw/zinc/01/24/05/808012405.db2.gz VBCMEJQVQVPKCN-AWEZNQCLSA-N 2 1 286.485 2.097 20 0 CEADMP Cc1cccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)n1 ZINC000352698206 808018065 /nfs/dbraw/zinc/01/80/65/808018065.db2.gz OTQMFDWBKPGSGF-UHFFFAOYSA-N 2 1 290.436 2.240 20 0 CEADMP CC(C)(C[NH2+][C@@H]1CCCc2n[nH]cc21)C[NH+]1CCCC1 ZINC000353608426 808165463 /nfs/dbraw/zinc/16/54/63/808165463.db2.gz RLYPYCDUBQKAEE-CQSZACIVSA-N 2 1 276.428 2.499 20 0 CEADMP Cn1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001119990938 815183885 /nfs/dbraw/zinc/18/38/85/815183885.db2.gz ZUFYVYFPMNXIKG-ARFHVFGLSA-N 2 1 261.413 2.187 20 0 CEADMP Cc1cnc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC001238442112 808373744 /nfs/dbraw/zinc/37/37/44/808373744.db2.gz SDXLVYGLVQMSSN-MRXNPFEDSA-N 2 1 259.397 2.226 20 0 CEADMP Cc1cnc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC001238442112 808373753 /nfs/dbraw/zinc/37/37/53/808373753.db2.gz SDXLVYGLVQMSSN-MRXNPFEDSA-N 2 1 259.397 2.226 20 0 CEADMP Cc1cnc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC001238442112 808373762 /nfs/dbraw/zinc/37/37/62/808373762.db2.gz SDXLVYGLVQMSSN-MRXNPFEDSA-N 2 1 259.397 2.226 20 0 CEADMP Cc1cnc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC001238442112 808373771 /nfs/dbraw/zinc/37/37/71/808373771.db2.gz SDXLVYGLVQMSSN-MRXNPFEDSA-N 2 1 259.397 2.226 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC[C@@H]2CO)CC1(C)C ZINC001171629889 815201889 /nfs/dbraw/zinc/20/18/89/815201889.db2.gz YUAINGVYRYGMPA-CYBMUJFWSA-N 2 1 268.445 2.485 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H](O)[C@@H](F)CC2)CC1(C)C ZINC001171632189 815202287 /nfs/dbraw/zinc/20/22/87/815202287.db2.gz WKLUFNHWFOLILM-KBPBESRZSA-N 2 1 286.435 2.433 20 0 CEADMP C[NH+]1C(C)(C)CC([N@@H+]2C[C@H](F)C[C@@H](CO)C2)CC1(C)C ZINC001171630756 815202309 /nfs/dbraw/zinc/20/23/09/815202309.db2.gz AXOPLHWCUVADMW-CHWSQXEVSA-N 2 1 286.435 2.290 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@H](F)C[C@@H](CO)C2)CC1(C)C ZINC001171630756 815202311 /nfs/dbraw/zinc/20/23/11/815202311.db2.gz AXOPLHWCUVADMW-CHWSQXEVSA-N 2 1 286.435 2.290 20 0 CEADMP CC(C)C[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C(N)=O ZINC001171622883 815206600 /nfs/dbraw/zinc/20/66/00/815206600.db2.gz BJCUYDUVZFTPJK-CYBMUJFWSA-N 2 1 283.460 2.127 20 0 CEADMP C[C@H]1C[C@H](N(C)C(C)(C)C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171733513 815216323 /nfs/dbraw/zinc/21/63/23/815216323.db2.gz UMVHHEAVQJWYLR-HOCLYGCPSA-N 2 1 275.440 2.319 20 0 CEADMP C[NH+]1C(C)(C)CC(N2CC[N@H+]3CCC[C@@H]3C2)CC1(C)C ZINC001171637921 815214012 /nfs/dbraw/zinc/21/40/12/815214012.db2.gz SNNKCEBJXPHOLT-CQSZACIVSA-N 2 1 279.472 2.418 20 0 CEADMP C[C@H]1C[C@H](Nc2nccnc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171732843 815220859 /nfs/dbraw/zinc/22/08/59/815220859.db2.gz GEDOPZCRHVYJQL-ZFWWWQNUSA-N 2 1 297.406 2.010 20 0 CEADMP C[C@@H]1C[C@H](N2CC([NH+]3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171763781 815227346 /nfs/dbraw/zinc/22/73/46/815227346.db2.gz QUPXIUSQCZTWDY-AEFFLSMTSA-N 2 1 299.462 2.429 20 0 CEADMP C[C@H]1C[C@@H](N2CC[NH+]3CCC2CC3)C[N@H+]1Cc1ccccc1 ZINC001171760299 815227816 /nfs/dbraw/zinc/22/78/16/815227816.db2.gz SYDFNFPIPSUWQT-QFBILLFUSA-N 2 1 299.462 2.429 20 0 CEADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001120611990 815246145 /nfs/dbraw/zinc/24/61/45/815246145.db2.gz UJZWKFUCURDIMT-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963020 815253134 /nfs/dbraw/zinc/25/31/34/815253134.db2.gz GNKMJSMKYCPTND-ZBFHGGJFSA-N 2 1 276.424 2.400 20 0 CEADMP COc1cc(F)c(F)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205046334 809068631 /nfs/dbraw/zinc/06/86/31/809068631.db2.gz DYBRGJOXLHDNLB-UHFFFAOYSA-N 2 1 270.323 2.144 20 0 CEADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172003672 815260378 /nfs/dbraw/zinc/26/03/78/815260378.db2.gz BXMZZXUQBOPVPS-FVQBIDKESA-N 2 1 293.455 2.120 20 0 CEADMP COc1ccc(F)c(F)c1C[NH+]1CCC(C[NH3+])CC1 ZINC001205047454 809107764 /nfs/dbraw/zinc/10/77/64/809107764.db2.gz ULAPCXCLGHBIAW-UHFFFAOYSA-N 2 1 270.323 2.144 20 0 CEADMP CC1(C)C[C@H]([NH2+]C[C@@H](O)CF)CC[N@H+]1Cc1ccccc1 ZINC001171978030 815265687 /nfs/dbraw/zinc/26/56/87/815265687.db2.gz INFPTYPXZNEOFN-CVEARBPZSA-N 2 1 294.414 2.350 20 0 CEADMP CC1([NH3+])CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171981236 815265922 /nfs/dbraw/zinc/26/59/22/815265922.db2.gz ZWUSDONBILPOSH-INIZCTEOSA-N 2 1 287.451 2.463 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001033127546 809195555 /nfs/dbraw/zinc/19/55/55/809195555.db2.gz VOTRMCWXOCLXMR-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001033127546 809195558 /nfs/dbraw/zinc/19/55/58/809195558.db2.gz VOTRMCWXOCLXMR-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001033127546 809195560 /nfs/dbraw/zinc/19/55/60/809195560.db2.gz VOTRMCWXOCLXMR-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033424603 809299438 /nfs/dbraw/zinc/29/94/38/809299438.db2.gz TYXPYKRRYHUIDI-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001033424603 809299440 /nfs/dbraw/zinc/29/94/40/809299440.db2.gz TYXPYKRRYHUIDI-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033424603 809299443 /nfs/dbraw/zinc/29/94/43/809299443.db2.gz TYXPYKRRYHUIDI-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)Oc1ccccc1 ZINC000700363102 809302192 /nfs/dbraw/zinc/30/21/92/809302192.db2.gz NXXVKFXTCVEMOT-JTPDDLHWSA-N 2 1 272.392 2.040 20 0 CEADMP C[C@H](CC[NH2+]Cc1cccc2c1NCCC2)[NH+](C)C ZINC000700563013 809321203 /nfs/dbraw/zinc/32/12/03/809321203.db2.gz IDYLPNYYOOHKED-CYBMUJFWSA-N 2 1 261.413 2.475 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C)CCOCC1)C2 ZINC001172099338 815283497 /nfs/dbraw/zinc/28/34/97/815283497.db2.gz JKECFXLKHMVZBL-ZSOGYDGISA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C)CCOCC1)C2 ZINC001172099338 815283504 /nfs/dbraw/zinc/28/35/04/815283504.db2.gz JKECFXLKHMVZBL-ZSOGYDGISA-N 2 1 252.402 2.160 20 0 CEADMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033658204 809372135 /nfs/dbraw/zinc/37/21/35/809372135.db2.gz RQJSAFUKLQGYRF-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP COC(=O)[C@H]1CC[C@@H](C)[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172125924 815285926 /nfs/dbraw/zinc/28/59/26/815285926.db2.gz RUVRXXCUVBSITM-DGADGQDISA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@H]1CC[C@@H](C)[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172125924 815285932 /nfs/dbraw/zinc/28/59/32/815285932.db2.gz RUVRXXCUVBSITM-DGADGQDISA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@H]1CC[C@@H](C)[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172125924 815285935 /nfs/dbraw/zinc/28/59/35/815285935.db2.gz RUVRXXCUVBSITM-DGADGQDISA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@H]1CC[C@@H](C)[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172125924 815285942 /nfs/dbraw/zinc/28/59/42/815285942.db2.gz RUVRXXCUVBSITM-DGADGQDISA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)C[N@H+](C1CCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128066 815287925 /nfs/dbraw/zinc/28/79/25/815287925.db2.gz NWCPXABZOVUBEM-ZSHCYNCHSA-N 2 1 294.439 2.419 20 0 CEADMP COC(=O)C[N@@H+](C1CCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128066 815287930 /nfs/dbraw/zinc/28/79/30/815287930.db2.gz NWCPXABZOVUBEM-ZSHCYNCHSA-N 2 1 294.439 2.419 20 0 CEADMP COC(=O)C[NH+](C1CCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128066 815287932 /nfs/dbraw/zinc/28/79/32/815287932.db2.gz NWCPXABZOVUBEM-ZSHCYNCHSA-N 2 1 294.439 2.419 20 0 CEADMP COC(=O)C[NH+](C1CCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128066 815287938 /nfs/dbraw/zinc/28/79/38/815287938.db2.gz NWCPXABZOVUBEM-ZSHCYNCHSA-N 2 1 294.439 2.419 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H](C)CO1 ZINC001172129055 815289110 /nfs/dbraw/zinc/28/91/10/815289110.db2.gz VUYSHKPCFMXZPI-ZSAUSMIDSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)CO1 ZINC001172129055 815289113 /nfs/dbraw/zinc/28/91/13/815289113.db2.gz VUYSHKPCFMXZPI-ZSAUSMIDSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](C)CO1 ZINC001172129055 815289116 /nfs/dbraw/zinc/28/91/16/815289116.db2.gz VUYSHKPCFMXZPI-ZSAUSMIDSA-N 2 1 252.402 2.111 20 0 CEADMP CCC/C=C\CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128778724 809448468 /nfs/dbraw/zinc/44/84/68/809448468.db2.gz KWMVOHPESOPJSR-MWWKQMNYSA-N 2 1 295.471 2.313 20 0 CEADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1cc[nH+]cc1Cl ZINC001120906314 815294547 /nfs/dbraw/zinc/29/45/47/815294547.db2.gz HOOKXGZRDVBSOY-NOZJJQNGSA-N 2 1 251.761 2.052 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1cc[nH+]cc1Cl ZINC001120906314 815294552 /nfs/dbraw/zinc/29/45/52/815294552.db2.gz HOOKXGZRDVBSOY-NOZJJQNGSA-N 2 1 251.761 2.052 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CO)c1cccs1)C2 ZINC001172105448 815296513 /nfs/dbraw/zinc/29/65/13/815296513.db2.gz IHWXTRBVJPETAP-CRWXNKLISA-N 2 1 280.437 2.386 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)C2 ZINC001172105516 815296710 /nfs/dbraw/zinc/29/67/10/815296710.db2.gz IPLBNZUROYYBCG-YYIAUSFCSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)C2 ZINC001172105516 815296714 /nfs/dbraw/zinc/29/67/14/815296714.db2.gz IPLBNZUROYYBCG-YYIAUSFCSA-N 2 1 292.398 2.464 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](C(C)C)C1 ZINC001034238271 809561590 /nfs/dbraw/zinc/56/15/90/809561590.db2.gz BSDGMUHACNHDQL-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034238271 809561593 /nfs/dbraw/zinc/56/15/93/809561593.db2.gz BSDGMUHACNHDQL-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](C(C)C)C1 ZINC001034238271 809561595 /nfs/dbraw/zinc/56/15/95/809561595.db2.gz BSDGMUHACNHDQL-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034288339 809572950 /nfs/dbraw/zinc/57/29/50/809572950.db2.gz NPQALICPBACQGR-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034288339 809572955 /nfs/dbraw/zinc/57/29/55/809572955.db2.gz NPQALICPBACQGR-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034288339 809572960 /nfs/dbraw/zinc/57/29/60/809572960.db2.gz NPQALICPBACQGR-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702650768 809573697 /nfs/dbraw/zinc/57/36/97/809573697.db2.gz BCUZWFZHYFRTEY-PVAVHDDUSA-N 2 1 274.408 2.012 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702650768 809573701 /nfs/dbraw/zinc/57/37/01/809573701.db2.gz BCUZWFZHYFRTEY-PVAVHDDUSA-N 2 1 274.408 2.012 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702650763 809574331 /nfs/dbraw/zinc/57/43/31/809574331.db2.gz BCUZWFZHYFRTEY-HYVNUMGLSA-N 2 1 274.408 2.012 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702650763 809574335 /nfs/dbraw/zinc/57/43/35/809574335.db2.gz BCUZWFZHYFRTEY-HYVNUMGLSA-N 2 1 274.408 2.012 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CO)c1ccc(O)cc1)C2 ZINC001172111137 815299778 /nfs/dbraw/zinc/29/97/78/815299778.db2.gz SLMUCCZQGTVXIT-MPTYRVRUSA-N 2 1 290.407 2.031 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1Cc3ccccc3C[C@H]1C[NH3+])C2 ZINC001172110398 815301255 /nfs/dbraw/zinc/30/12/55/815301255.db2.gz MENHDSJEGOLPKN-MANSERQUSA-N 2 1 299.462 2.387 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@]13CCCOC3)C2 ZINC001172111883 815301288 /nfs/dbraw/zinc/30/12/88/815301288.db2.gz XTWXUINYYRUTCT-XFIYOXNOSA-N 2 1 264.413 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@]13CCCOC3)C2 ZINC001172111883 815301292 /nfs/dbraw/zinc/30/12/92/815301292.db2.gz XTWXUINYYRUTCT-XFIYOXNOSA-N 2 1 264.413 2.160 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034397743 809600056 /nfs/dbraw/zinc/60/00/56/809600056.db2.gz LCOURZRWCZZSFP-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034397743 809600060 /nfs/dbraw/zinc/60/00/60/809600060.db2.gz LCOURZRWCZZSFP-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034397743 809600063 /nfs/dbraw/zinc/60/00/63/809600063.db2.gz LCOURZRWCZZSFP-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+](CCOC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113753 815302327 /nfs/dbraw/zinc/30/23/27/815302327.db2.gz LHWWJQCIMXMFKW-FICVDOATSA-N 2 1 254.418 2.360 20 0 CEADMP CCC[N@@H+](CCOC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113753 815302334 /nfs/dbraw/zinc/30/23/34/815302334.db2.gz LHWWJQCIMXMFKW-FICVDOATSA-N 2 1 254.418 2.360 20 0 CEADMP CCC[NH+](CCOC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113753 815302339 /nfs/dbraw/zinc/30/23/39/815302339.db2.gz LHWWJQCIMXMFKW-FICVDOATSA-N 2 1 254.418 2.360 20 0 CEADMP CCC[NH+](CCOC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113753 815302346 /nfs/dbraw/zinc/30/23/46/815302346.db2.gz LHWWJQCIMXMFKW-FICVDOATSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc(Cl)cc(N)[nH+]1 ZINC001162452085 809605041 /nfs/dbraw/zinc/60/50/41/809605041.db2.gz AMCDRRWOEOMVKW-VHSXEESVSA-N 2 1 268.792 2.365 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(C[C@H]3CCO)CC1)C2 ZINC001172115819 815305224 /nfs/dbraw/zinc/30/52/24/815305224.db2.gz AGAWUOPFWXQOML-NCOADZHNSA-N 2 1 292.467 2.486 20 0 CEADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@H]1O ZINC001172116602 815305267 /nfs/dbraw/zinc/30/52/67/815305267.db2.gz BLWOELTXLVKZKG-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@H]1O ZINC001172116602 815305272 /nfs/dbraw/zinc/30/52/72/815305272.db2.gz BLWOELTXLVKZKG-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[C@H]1O ZINC001172116602 815305279 /nfs/dbraw/zinc/30/52/79/815305279.db2.gz BLWOELTXLVKZKG-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[C@H]1O ZINC001172116602 815305282 /nfs/dbraw/zinc/30/52/82/815305282.db2.gz BLWOELTXLVKZKG-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP COC1CC(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000703875315 809699405 /nfs/dbraw/zinc/69/94/05/809699405.db2.gz LFBOCRIIBFTMOK-OGVSOVDVSA-N 2 1 266.429 2.123 20 0 CEADMP CC(C)C[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172119486 815310718 /nfs/dbraw/zinc/31/07/18/815310718.db2.gz VRTQRJKMNFRIIU-BJWYYQGGSA-N 2 1 279.472 2.275 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(CC[NH3+])CC1)C2 ZINC001172119273 815311013 /nfs/dbraw/zinc/31/10/13/815311013.db2.gz XSCLIEZBKWGPJY-NWJOVSIXSA-N 3 1 279.472 2.499 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(CC[NH3+])CC1)C2 ZINC001172119273 815311019 /nfs/dbraw/zinc/31/10/19/815311019.db2.gz XSCLIEZBKWGPJY-NWJOVSIXSA-N 3 1 279.472 2.499 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@]3(CCOC3)C1)C2 ZINC001172122236 815312119 /nfs/dbraw/zinc/31/21/19/815312119.db2.gz YCGWPVMTLKOUFC-FXUDXRNXSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(CCOC3)C1)C2 ZINC001172122236 815312126 /nfs/dbraw/zinc/31/21/26/815312126.db2.gz YCGWPVMTLKOUFC-FXUDXRNXSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(CCOC3)C1)C2 ZINC001172122236 815312132 /nfs/dbraw/zinc/31/21/32/815312132.db2.gz YCGWPVMTLKOUFC-FXUDXRNXSA-N 2 1 264.413 2.114 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3(C1)CCCOC3)C2 ZINC001172122188 815312451 /nfs/dbraw/zinc/31/24/51/815312451.db2.gz XJLNJAPSRRGKRZ-FICVDOATSA-N 2 1 264.413 2.114 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC3=O)CC1)C2 ZINC001172123340 815315890 /nfs/dbraw/zinc/31/58/90/815315890.db2.gz BYGCCWOJQDGXHC-QDMKHBRRSA-N 2 1 292.423 2.031 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CSc2ccccc2C1 ZINC001172190295 815319266 /nfs/dbraw/zinc/31/92/66/815319266.db2.gz JPGLUNYSDOCASM-CQSZACIVSA-N 2 1 273.405 2.498 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H]2CC(C)(C)CO2)[C@H]1C ZINC000708358728 809927348 /nfs/dbraw/zinc/92/73/48/809927348.db2.gz HPSMARVWJXXONV-RQJABVFESA-N 2 1 254.418 2.249 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CC(C)(C)CO2)[C@H]1C ZINC000708358728 809927352 /nfs/dbraw/zinc/92/73/52/809927352.db2.gz HPSMARVWJXXONV-RQJABVFESA-N 2 1 254.418 2.249 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000708347225 809927437 /nfs/dbraw/zinc/92/74/37/809927437.db2.gz IMFZCCJZMMIYMY-XJFOESAGSA-N 2 1 254.418 2.107 20 0 CEADMP [NH3+][C@H]1CCCCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000708991338 809938231 /nfs/dbraw/zinc/93/82/31/809938231.db2.gz BSHSMOPPLMZFJO-GJZGRUSLSA-N 2 1 254.418 2.131 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000708991338 809938236 /nfs/dbraw/zinc/93/82/36/809938236.db2.gz BSHSMOPPLMZFJO-GJZGRUSLSA-N 2 1 254.418 2.131 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C[C@H]1C[NH3+] ZINC000709703942 809954015 /nfs/dbraw/zinc/95/40/15/809954015.db2.gz VJBUNMXKPAWWIU-UPJWGTAASA-N 2 1 254.418 2.107 20 0 CEADMP C[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000709549645 809963905 /nfs/dbraw/zinc/96/39/05/809963905.db2.gz BUNUWVVAUSPDSW-MNOVXSKESA-N 2 1 250.308 2.260 20 0 CEADMP C[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000709549643 809964015 /nfs/dbraw/zinc/96/40/15/809964015.db2.gz BUNUWVVAUSPDSW-GHMZBOCLSA-N 2 1 250.308 2.260 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CSc4ccccc4C3)C[C@@H]2C1 ZINC001172204777 815332300 /nfs/dbraw/zinc/33/23/00/815332300.db2.gz FDEGAQZKSYSJNG-ZNMIVQPWSA-N 2 1 274.433 2.197 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@H](c3nccs3)C2)CCC[NH2+]C1 ZINC000710498194 809989615 /nfs/dbraw/zinc/98/96/15/809989615.db2.gz HKZYRDTZMWJVRZ-GXTWGEPZSA-N 2 1 265.426 2.322 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC2(CCC2)O1 ZINC000711406548 810068495 /nfs/dbraw/zinc/06/84/95/810068495.db2.gz HYDHYJKAHMBQKO-KFWWJZLASA-N 2 1 264.413 2.305 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000711832638 810099379 /nfs/dbraw/zinc/09/93/79/810099379.db2.gz KHWNURAZWWSVJV-YOEHRIQHSA-N 2 1 278.440 2.408 20 0 CEADMP Cc1c[nH]c2nc(NCC(C)(C)C[NH+](C)C)[nH+]cc12 ZINC001168763514 810133838 /nfs/dbraw/zinc/13/38/38/810133838.db2.gz KNAYXBWETSOHEE-UHFFFAOYSA-N 2 1 261.373 2.218 20 0 CEADMP CCC1([NH2+]C2CC[NH+](CCCOC)CC2)CCOCC1 ZINC001172249068 815357707 /nfs/dbraw/zinc/35/77/07/815357707.db2.gz HDWTTWCBRATUSN-UHFFFAOYSA-N 2 1 284.444 2.036 20 0 CEADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)[C@@H](C)C1 ZINC001172239007 815353210 /nfs/dbraw/zinc/35/32/10/815353210.db2.gz ZUHQBMSWOKLIDM-IXIBIKRGSA-N 2 1 264.413 2.181 20 0 CEADMP COCCC[NH+]1CCC([NH2+]C(C)(C)c2ccncc2)CC1 ZINC001172247093 815358659 /nfs/dbraw/zinc/35/86/59/815358659.db2.gz DESQIHQXIGBJEI-UHFFFAOYSA-N 2 1 291.439 2.407 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCCC[C@@H]2C)CC1 ZINC001172250416 815359092 /nfs/dbraw/zinc/35/90/92/815359092.db2.gz RHUUKMUZKSNPJH-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCCC[C@@H]2C)CC1 ZINC001172250416 815359099 /nfs/dbraw/zinc/35/90/99/815359099.db2.gz RHUUKMUZKSNPJH-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP COCCC[NH+]1CCC([N@H+](C)C2CC(C)C2)CC1 ZINC001172252988 815361328 /nfs/dbraw/zinc/36/13/28/815361328.db2.gz YGRJIQHDLXRDJI-UHFFFAOYSA-N 2 1 254.418 2.218 20 0 CEADMP COCCC[NH+]1CCC([N@@H+](C)C2CC(C)C2)CC1 ZINC001172252988 815361334 /nfs/dbraw/zinc/36/13/34/815361334.db2.gz YGRJIQHDLXRDJI-UHFFFAOYSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001017141226 810494714 /nfs/dbraw/zinc/49/47/14/810494714.db2.gz CFFAWBVPBNBERQ-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001017144830 810495418 /nfs/dbraw/zinc/49/54/18/810495418.db2.gz AJWJPCQZJTYDKY-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001017144830 810495421 /nfs/dbraw/zinc/49/54/21/810495421.db2.gz AJWJPCQZJTYDKY-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001017144830 810495427 /nfs/dbraw/zinc/49/54/27/810495427.db2.gz AJWJPCQZJTYDKY-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001017154647 810496803 /nfs/dbraw/zinc/49/68/03/810496803.db2.gz WCZCTUAYHOTHQH-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001017154647 810496806 /nfs/dbraw/zinc/49/68/06/810496806.db2.gz WCZCTUAYHOTHQH-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001017154647 810496810 /nfs/dbraw/zinc/49/68/10/810496810.db2.gz WCZCTUAYHOTHQH-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC001172285959 815377824 /nfs/dbraw/zinc/37/78/24/815377824.db2.gz WHWBLPJCRHCQBZ-CQSZACIVSA-N 2 1 289.423 2.496 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H](O)CC[C@H]1C ZINC001258907619 810687773 /nfs/dbraw/zinc/68/77/73/810687773.db2.gz LKTFYEXMIGFYIJ-RBSFLKMASA-N 2 1 256.434 2.342 20 0 CEADMP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001085310904 810720554 /nfs/dbraw/zinc/72/05/54/810720554.db2.gz WIDKQHLYKSSBMD-CAOSSQGBSA-N 2 1 295.471 2.144 20 0 CEADMP CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001085350396 810728871 /nfs/dbraw/zinc/72/88/71/810728871.db2.gz FYXYSNONSUUGIL-ZIAGYGMSSA-N 2 1 292.427 2.043 20 0 CEADMP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001085432279 810748877 /nfs/dbraw/zinc/74/88/77/810748877.db2.gz QYGCWHJYFHOJRO-BZUAXINKSA-N 2 1 295.471 2.288 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2cccc3[nH]ccc32)CC[C@@H]1F ZINC001206164012 815393714 /nfs/dbraw/zinc/39/37/14/815393714.db2.gz IQWGYJXTJPTEQY-KBPBESRZSA-N 2 1 261.344 2.429 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)CC[C@@H]1F ZINC001206164012 815393719 /nfs/dbraw/zinc/39/37/19/815393719.db2.gz IQWGYJXTJPTEQY-KBPBESRZSA-N 2 1 261.344 2.429 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001085519271 810805343 /nfs/dbraw/zinc/80/53/43/810805343.db2.gz LNJNVVKCVCMBBK-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001085519271 810805349 /nfs/dbraw/zinc/80/53/49/810805349.db2.gz LNJNVVKCVCMBBK-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001085519271 810805358 /nfs/dbraw/zinc/80/53/58/810805358.db2.gz LNJNVVKCVCMBBK-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC1(C)C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC000381745521 810866386 /nfs/dbraw/zinc/86/63/86/810866386.db2.gz QBXFSGSOVAVDMB-GOOCMWNKSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@@H+](Cc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)nc1)C1CC1 ZINC001154987792 810884772 /nfs/dbraw/zinc/88/47/72/810884772.db2.gz OCHRBJMBFDHWCD-KBPBESRZSA-N 2 1 274.412 2.358 20 0 CEADMP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2)[NH+](C)C ZINC001040398848 811109652 /nfs/dbraw/zinc/10/96/52/811109652.db2.gz JXYUNIPLIATZJW-RDJZCZTQSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)[N@@H+](CCOC)C[C@@H]([NH3+])CC(F)F ZINC000379759188 811201858 /nfs/dbraw/zinc/20/18/58/811201858.db2.gz BQPOTGIPMIWZSH-JTQLQIEISA-N 2 1 252.349 2.106 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168804067 811251218 /nfs/dbraw/zinc/25/12/18/811251218.db2.gz DBUVQDMZWRVXHS-KBPBESRZSA-N 2 1 299.459 2.445 20 0 CEADMP CC(C)OCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001172437317 815436622 /nfs/dbraw/zinc/43/66/22/815436622.db2.gz GBPWGXPYJDTOGQ-XQLPTFJDSA-N 2 1 254.418 2.405 20 0 CEADMP CC(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042710608 811321904 /nfs/dbraw/zinc/32/19/04/811321904.db2.gz GSRGXVCWBDQZQU-INIZCTEOSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001042710608 811321914 /nfs/dbraw/zinc/32/19/14/811321914.db2.gz GSRGXVCWBDQZQU-INIZCTEOSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001169058397 811359275 /nfs/dbraw/zinc/35/92/75/811359275.db2.gz HGJNFWPZQQHGJL-IAGOWNOFSA-N 2 1 276.424 2.303 20 0 CEADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001169058397 811359283 /nfs/dbraw/zinc/35/92/83/811359283.db2.gz HGJNFWPZQQHGJL-IAGOWNOFSA-N 2 1 276.424 2.303 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC[C@H](O)c1ccccc1)C2 ZINC001169099470 811370014 /nfs/dbraw/zinc/37/00/14/811370014.db2.gz SQZWETSWNPCICG-NXOAAHMSSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccccc3NC1=O)C2 ZINC001169099532 811371206 /nfs/dbraw/zinc/37/12/06/811371206.db2.gz APJXBIMKQYQRGG-JYYAWHABSA-N 2 1 299.418 2.155 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccccc3NC1=O)C2 ZINC001169099532 811371217 /nfs/dbraw/zinc/37/12/17/811371217.db2.gz APJXBIMKQYQRGG-JYYAWHABSA-N 2 1 299.418 2.155 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC1CCOCC1)C2 ZINC001169082337 811381350 /nfs/dbraw/zinc/38/13/50/811381350.db2.gz YQVZLZYZDNYTPR-QKDCVEJESA-N 2 1 252.402 2.018 20 0 CEADMP CCC[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169092635 811381906 /nfs/dbraw/zinc/38/19/06/811381906.db2.gz BWEWEANOJGXPBO-MUJYYYPQSA-N 2 1 265.445 2.076 20 0 CEADMP CCc1nnc2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)cn21 ZINC001169116162 811382994 /nfs/dbraw/zinc/38/29/94/811382994.db2.gz ONRNUUDJLCCVNH-QKDCVEJESA-N 2 1 299.422 2.007 20 0 CEADMP CCc1nnc2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cn21 ZINC001169116162 811383001 /nfs/dbraw/zinc/38/30/01/811383001.db2.gz ONRNUUDJLCCVNH-QKDCVEJESA-N 2 1 299.422 2.007 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169092133 811385106 /nfs/dbraw/zinc/38/51/06/811385106.db2.gz YCODIFXITHVYJT-WCXIOVBPSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169092133 811385113 /nfs/dbraw/zinc/38/51/13/811385113.db2.gz YCODIFXITHVYJT-WCXIOVBPSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169092133 811385123 /nfs/dbraw/zinc/38/51/23/811385123.db2.gz YCODIFXITHVYJT-WCXIOVBPSA-N 2 1 279.472 2.466 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3c(O)cccc3C1)C2 ZINC001169126569 811396468 /nfs/dbraw/zinc/39/64/68/811396468.db2.gz WLYOXPPHTIGRJA-QDMKHBRRSA-N 2 1 272.392 2.376 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3c(O)cccc3C1)C2 ZINC001169126569 811396476 /nfs/dbraw/zinc/39/64/76/811396476.db2.gz WLYOXPPHTIGRJA-QDMKHBRRSA-N 2 1 272.392 2.376 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCc3c(O)cccc3C1)C2 ZINC001169126569 811396484 /nfs/dbraw/zinc/39/64/84/811396484.db2.gz WLYOXPPHTIGRJA-QDMKHBRRSA-N 2 1 272.392 2.376 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCc3c(O)cccc3C1)C2 ZINC001169126569 811396494 /nfs/dbraw/zinc/39/64/94/811396494.db2.gz WLYOXPPHTIGRJA-QDMKHBRRSA-N 2 1 272.392 2.376 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](O)c1cccc(O)c1 ZINC001169107645 811401548 /nfs/dbraw/zinc/40/15/48/811401548.db2.gz ISYDBFZZWWNHDZ-YIIZKNBGSA-N 2 1 290.407 2.029 20 0 CEADMP CC(C)OCC[C@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001172458367 815445291 /nfs/dbraw/zinc/44/52/91/815445291.db2.gz CZVMCJALXUWDMV-AWEZNQCLSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH2+]Cc1cccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169146143 811411018 /nfs/dbraw/zinc/41/10/18/811411018.db2.gz PAGNBNRLPOFSOD-MUJYYYPQSA-N 2 1 259.397 2.443 20 0 CEADMP CC[C@H](C)[C@@H](C(=O)OC)N(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153733 811414701 /nfs/dbraw/zinc/41/47/01/811414701.db2.gz LMPUKPOSPQRJBL-AHDPXTMNSA-N 2 1 282.428 2.131 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3(C1)C[C@@H](F)CS3)C2 ZINC001169156238 811417177 /nfs/dbraw/zinc/41/71/77/811417177.db2.gz WKNMVLSXCJNGQI-NDBYEHHHSA-N 2 1 270.417 2.141 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3(C1)C[C@@H](F)CS3)C2 ZINC001169156238 811417179 /nfs/dbraw/zinc/41/71/79/811417179.db2.gz WKNMVLSXCJNGQI-NDBYEHHHSA-N 2 1 270.417 2.141 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+](C)CC13CCCC3)C2 ZINC001169161099 811420461 /nfs/dbraw/zinc/42/04/61/811420461.db2.gz NYCKVQHJNZDNPB-MUJYYYPQSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC[N@H+](C)CC13CCCC3)C2 ZINC001169161099 811420465 /nfs/dbraw/zinc/42/04/65/811420465.db2.gz NYCKVQHJNZDNPB-MUJYYYPQSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC[N@@H+](C)CC13CCCC3)C2 ZINC001169161099 811420471 /nfs/dbraw/zinc/42/04/71/811420471.db2.gz NYCKVQHJNZDNPB-MUJYYYPQSA-N 2 1 277.456 2.172 20 0 CEADMP CC(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001044005489 811427263 /nfs/dbraw/zinc/42/72/63/811427263.db2.gz DLOCRTMAJZISDV-INIZCTEOSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001044005489 811427267 /nfs/dbraw/zinc/42/72/67/811427267.db2.gz DLOCRTMAJZISDV-INIZCTEOSA-N 2 1 295.471 2.048 20 0 CEADMP FC1(F)CCC[C@H](Nc2[nH+]cccc2N2CC[NH2+]CC2)C1 ZINC001169214876 811431915 /nfs/dbraw/zinc/43/19/15/811431915.db2.gz NEDQFWSTEORXSG-LBPRGKRZSA-N 2 1 296.365 2.481 20 0 CEADMP CC[NH+]1CCC(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)CC1 ZINC001169266161 811454957 /nfs/dbraw/zinc/45/49/57/811454957.db2.gz SSVMXYOSWSVBGJ-LJQANCHMSA-N 2 1 299.462 2.386 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CC[C@]3(C2)CCCCO3)CC1 ZINC001169245157 811461006 /nfs/dbraw/zinc/46/10/06/811461006.db2.gz ARYMPKSXKWALOK-HNNXBMFYSA-N 2 1 252.402 2.116 20 0 CEADMP CC[NH+]1CCC([N@H+]2CC[C@]3(C2)CCCCO3)CC1 ZINC001169245157 811461009 /nfs/dbraw/zinc/46/10/09/811461009.db2.gz ARYMPKSXKWALOK-HNNXBMFYSA-N 2 1 252.402 2.116 20 0 CEADMP CCC(CC)[N@@H+]([C@H]1CCN(C(C)=O)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169523207 811552358 /nfs/dbraw/zinc/55/23/58/811552358.db2.gz ZWKBPWUAOQIVNL-XIRDDKMYSA-N 2 1 295.471 2.368 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)CC[C@@H]1F ZINC001206165885 815459671 /nfs/dbraw/zinc/45/96/71/815459671.db2.gz PQLTUOKUACBEMS-LSDHHAIUSA-N 2 1 273.355 2.496 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3ccccc3n2)CC[C@@H]1F ZINC001206165885 815459673 /nfs/dbraw/zinc/45/96/73/815459673.db2.gz PQLTUOKUACBEMS-LSDHHAIUSA-N 2 1 273.355 2.496 20 0 CEADMP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169797211 811665587 /nfs/dbraw/zinc/66/55/87/811665587.db2.gz BTDGIEKWMRTQPD-ZBFHGGJFSA-N 2 1 295.471 2.145 20 0 CEADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172593640 815467015 /nfs/dbraw/zinc/46/70/15/815467015.db2.gz YMAJAORWLHYXAA-CABCVRRESA-N 2 1 284.444 2.430 20 0 CEADMP Cn1ccc2cc[nH+]c(NCC34CC[NH+](CC3)CC4)c21 ZINC001169795037 811674443 /nfs/dbraw/zinc/67/44/43/811674443.db2.gz CLFQPFQLLDTPPY-UHFFFAOYSA-N 2 1 270.380 2.471 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(O)cc(F)c2)CCC[C@H]1C[NH3+] ZINC001206024380 811711538 /nfs/dbraw/zinc/71/15/38/811711538.db2.gz JDMOSWLGQSUOHQ-YPMHNXCESA-N 2 1 266.360 2.338 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@H]2C)C1 ZINC001172612065 815473553 /nfs/dbraw/zinc/47/35/53/815473553.db2.gz RBEBUQOVQSBHCC-LVQVYYBASA-N 2 1 296.455 2.427 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@@H]1F ZINC001206173586 815487824 /nfs/dbraw/zinc/48/78/24/815487824.db2.gz IKWJTOWOJPHXAP-HOTGVXAUSA-N 2 1 288.370 2.134 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@@H]1F ZINC001206173586 815487827 /nfs/dbraw/zinc/48/78/27/815487827.db2.gz IKWJTOWOJPHXAP-HOTGVXAUSA-N 2 1 288.370 2.134 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2cc3ccccc3cn2)CC[C@@H]1F ZINC001206173446 815489876 /nfs/dbraw/zinc/48/98/76/815489876.db2.gz HLBVKUXQWWBPPZ-HOTGVXAUSA-N 2 1 273.355 2.496 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2cc3ccccc3cn2)CC[C@@H]1F ZINC001206173446 815489880 /nfs/dbraw/zinc/48/98/80/815489880.db2.gz HLBVKUXQWWBPPZ-HOTGVXAUSA-N 2 1 273.355 2.496 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cnc1F ZINC001206036702 812155917 /nfs/dbraw/zinc/15/59/17/812155917.db2.gz OLCBNCVTCXVINI-DGCLKSJQSA-N 2 1 281.375 2.036 20 0 CEADMP C[C@@H]1CC[C@@H]([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170119205 812166530 /nfs/dbraw/zinc/16/65/30/812166530.db2.gz WFYZIZVZMRNXKW-AAVRWANBSA-N 2 1 252.402 2.146 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001113341485 812224083 /nfs/dbraw/zinc/22/40/83/812224083.db2.gz YRPSJHYZWCGEPA-MRXNPFEDSA-N 2 1 297.487 2.441 20 0 CEADMP CCC/C=C/CC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001113445024 812244796 /nfs/dbraw/zinc/24/47/96/812244796.db2.gz XHNHXFMAFIZEAA-CMDGGOBGSA-N 2 1 295.471 2.219 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001113571348 812279632 /nfs/dbraw/zinc/27/96/32/812279632.db2.gz IXDSONFVVXOIRM-UHFFFAOYSA-N 2 1 297.487 2.443 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]C[C@H](C)CC(C)C ZINC001170221463 812341131 /nfs/dbraw/zinc/34/11/31/812341131.db2.gz ASCAFFPOKYZNGQ-OAHLLOKOSA-N 2 1 285.476 2.106 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+](C)C2CC[NH+](CC)CC2)CCO1 ZINC001170229599 812360937 /nfs/dbraw/zinc/36/09/37/812360937.db2.gz ZMWNKHBNBFBGAK-LSDHHAIUSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[C@@H]([N@@H+](C)C2CC[NH+](CC)CC2)CCO1 ZINC001170229599 812360941 /nfs/dbraw/zinc/36/09/41/812360941.db2.gz ZMWNKHBNBFBGAK-LSDHHAIUSA-N 2 1 254.418 2.360 20 0 CEADMP CN(C)c1ccc(CC[NH2+][C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC001254499533 812411456 /nfs/dbraw/zinc/41/14/56/812411456.db2.gz IPBBTCXCZTYSQC-MRXNPFEDSA-N 2 1 275.440 2.369 20 0 CEADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762686 812456712 /nfs/dbraw/zinc/45/67/12/812456712.db2.gz AOHYTUXKUCYDKA-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052762686 812456722 /nfs/dbraw/zinc/45/67/22/812456722.db2.gz AOHYTUXKUCYDKA-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052762686 812456726 /nfs/dbraw/zinc/45/67/26/812456726.db2.gz AOHYTUXKUCYDKA-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762688 812456790 /nfs/dbraw/zinc/45/67/90/812456790.db2.gz AOHYTUXKUCYDKA-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052762688 812456797 /nfs/dbraw/zinc/45/67/97/812456797.db2.gz AOHYTUXKUCYDKA-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052762688 812456801 /nfs/dbraw/zinc/45/68/01/812456801.db2.gz AOHYTUXKUCYDKA-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052821362 812464841 /nfs/dbraw/zinc/46/48/41/812464841.db2.gz YGQVOUIDGANQDF-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CCC(C)(C)C ZINC001129421833 812493335 /nfs/dbraw/zinc/49/33/35/812493335.db2.gz CYOMRXNIUVZBGO-OAHLLOKOSA-N 2 1 297.487 2.391 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC1CCCC1 ZINC001130708744 812599676 /nfs/dbraw/zinc/59/96/76/812599676.db2.gz GPOWXUDWNZZOQA-MRXNPFEDSA-N 2 1 295.471 2.003 20 0 CEADMP CC/C=C\CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130710784 812600241 /nfs/dbraw/zinc/60/02/41/812600241.db2.gz FBOYFTAFGVGXRK-KJPDOMRESA-N 2 1 295.471 2.169 20 0 CEADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C1 ZINC001170536360 812635120 /nfs/dbraw/zinc/63/51/20/812635120.db2.gz CTSMKCZTJMYUHF-ZNMIVQPWSA-N 2 1 282.428 2.169 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152741 812792042 /nfs/dbraw/zinc/79/20/42/812792042.db2.gz IIQDNPSQOBYKCE-GJZGRUSLSA-N 2 1 297.487 2.486 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132152741 812792049 /nfs/dbraw/zinc/79/20/49/812792049.db2.gz IIQDNPSQOBYKCE-GJZGRUSLSA-N 2 1 297.487 2.486 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132152741 812792054 /nfs/dbraw/zinc/79/20/54/812792054.db2.gz IIQDNPSQOBYKCE-GJZGRUSLSA-N 2 1 297.487 2.486 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC(C)C)C1 ZINC001132409701 812844140 /nfs/dbraw/zinc/84/41/40/812844140.db2.gz CYTMLKYRKWVJKC-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC(C)C)C1 ZINC001132409701 812844146 /nfs/dbraw/zinc/84/41/46/812844146.db2.gz CYTMLKYRKWVJKC-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC(C)C)C1 ZINC001132409701 812844160 /nfs/dbraw/zinc/84/41/60/812844160.db2.gz CYTMLKYRKWVJKC-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CC/C=C/CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001132737755 812935267 /nfs/dbraw/zinc/93/52/67/812935267.db2.gz PGIGNYIKWUDQLE-SQRWCISFSA-N 2 1 295.471 2.171 20 0 CEADMP Cc1n[nH]c(C)c1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206582952 813054989 /nfs/dbraw/zinc/05/49/89/813054989.db2.gz QWOWCGIANJCVMF-AWEZNQCLSA-N 2 1 264.417 2.379 20 0 CEADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC2CCCCCC2)C1 ZINC001133846007 813164868 /nfs/dbraw/zinc/16/48/68/813164868.db2.gz RNZCPLQVTPKNLK-OAHLLOKOSA-N 2 1 295.471 2.004 20 0 CEADMP C[NH+]1CCC[C@H]1C[C@H]1CCCCN1[C@@H]1CC[N@H+](C)C1 ZINC001255444780 813213535 /nfs/dbraw/zinc/21/35/35/813213535.db2.gz QKAOSRMLXWRULY-ARFHVFGLSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+]1CC[C@@H](N2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001255444780 813213539 /nfs/dbraw/zinc/21/35/39/813213539.db2.gz QKAOSRMLXWRULY-ARFHVFGLSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+]1CC[C@@H](N2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001255444780 813213544 /nfs/dbraw/zinc/21/35/44/813213544.db2.gz QKAOSRMLXWRULY-ARFHVFGLSA-N 2 1 265.445 2.029 20 0 CEADMP CC/C=C/CC[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134570793 813290104 /nfs/dbraw/zinc/29/01/04/813290104.db2.gz YUSJKSCWNQUYKR-AATRIKPKSA-N 2 1 292.427 2.069 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000394049732 813335096 /nfs/dbraw/zinc/33/50/96/813335096.db2.gz OFQGZNVPIKNBKG-AWEZNQCLSA-N 2 1 263.385 2.273 20 0 CEADMP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135007233 813351804 /nfs/dbraw/zinc/35/18/04/813351804.db2.gz GFPRWJCRFIQOMH-KBPBESRZSA-N 2 1 292.427 2.031 20 0 CEADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(C)C ZINC001135007006 813352348 /nfs/dbraw/zinc/35/23/48/813352348.db2.gz BQBVOPWDNPHSSM-KGLIPLIRSA-N 2 1 294.443 2.111 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]C(C)C ZINC001170785193 813354699 /nfs/dbraw/zinc/35/46/99/813354699.db2.gz PYDBUHRZOUMEMP-OAHLLOKOSA-N 2 1 283.460 2.145 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000395705000 813534853 /nfs/dbraw/zinc/53/48/53/813534853.db2.gz CRUUIOHGIARJST-OAHLLOKOSA-N 2 1 298.377 2.461 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CC1 ZINC001135860430 813548831 /nfs/dbraw/zinc/54/88/31/813548831.db2.gz BKBYGPAKYWXSMY-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860750 813549195 /nfs/dbraw/zinc/54/91/95/813549195.db2.gz HFALZDZVFLPHIM-KBPBESRZSA-N 2 1 271.449 2.001 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CC1 ZINC001135995653 813582973 /nfs/dbraw/zinc/58/29/73/813582973.db2.gz JCSLYRXGTOXBEO-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP C[N@@H+](CC(=O)NCCC[NH2+]CC1=CCCCC1)C1CCC1 ZINC001159997247 813715327 /nfs/dbraw/zinc/71/53/27/813715327.db2.gz KABDFSUUGILGSD-UHFFFAOYSA-N 2 1 293.455 2.067 20 0 CEADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](C)CCCC(C)C ZINC001246199589 813728335 /nfs/dbraw/zinc/72/83/35/813728335.db2.gz KTVBUOVYPYQGQX-RBSFLKMASA-N 2 1 284.444 2.332 20 0 CEADMP CCOC(=O)C1(C)CCC([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC001246539274 813943449 /nfs/dbraw/zinc/94/34/49/813943449.db2.gz GTGPXXCTRZVQJH-RNDNHVFHSA-N 2 1 282.428 2.025 20 0 CEADMP Cc1c(O)cccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001144116373 813959591 /nfs/dbraw/zinc/95/95/91/813959591.db2.gz LVNVAPGHCSQVOU-UHFFFAOYSA-N 2 1 262.397 2.474 20 0 CEADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099198748 813993292 /nfs/dbraw/zinc/99/32/92/813993292.db2.gz DZMSVUJEZPJCTM-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)C1 ZINC001246554537 814028936 /nfs/dbraw/zinc/02/89/36/814028936.db2.gz WGUNYQPREPRWDZ-FMKPAKJESA-N 2 1 282.428 2.312 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[NH2+]CC1Oc2ccccc2O1 ZINC001255952195 814039554 /nfs/dbraw/zinc/03/95/54/814039554.db2.gz UAHOBFKYTZSIQE-CYBMUJFWSA-N 2 1 278.396 2.494 20 0 CEADMP CO[C@@H]1CCC[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC001246563175 814051642 /nfs/dbraw/zinc/05/16/42/814051642.db2.gz PBRRAIJHKBQESF-LJISPDSOSA-N 2 1 254.418 2.251 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@](O)(CF)CC1 ZINC001255955816 814059390 /nfs/dbraw/zinc/05/93/90/814059390.db2.gz FCVIVPPQROCCNR-HUUCEWRRSA-N 2 1 274.424 2.293 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)CCC[C@@H]1C[NH3+] ZINC001246565665 814060654 /nfs/dbraw/zinc/06/06/54/814060654.db2.gz ICAAJBYTGKLHPM-FPCVCCKLSA-N 3 1 281.488 2.460 20 0 CEADMP CCOC(=O)CCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246568550 814068717 /nfs/dbraw/zinc/06/87/17/814068717.db2.gz PEVHZIDDEYEFNS-SOUVJXGZSA-N 2 1 284.444 2.415 20 0 CEADMP COC1CCC([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246570815 814089200 /nfs/dbraw/zinc/08/92/00/814089200.db2.gz VZKZOYMEKGWWAW-ZUJMUWTESA-N 2 1 254.418 2.251 20 0 CEADMP CCCCOC(=O)CC[C@@H](C)[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001246575886 814120528 /nfs/dbraw/zinc/12/05/28/814120528.db2.gz XVKYXTRICMMEHS-KGLIPLIRSA-N 2 1 270.417 2.182 20 0 CEADMP CCCCOC(=O)CC[C@@H](C)[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001246575886 814120533 /nfs/dbraw/zinc/12/05/33/814120533.db2.gz XVKYXTRICMMEHS-KGLIPLIRSA-N 2 1 270.417 2.182 20 0 CEADMP CCN(Cc1[nH+]cn2ccccc12)C1CC[NH+](C)CC1 ZINC001144622621 814131895 /nfs/dbraw/zinc/13/18/95/814131895.db2.gz LCIIGOPBTJSBJQ-UHFFFAOYSA-N 2 1 272.396 2.250 20 0 CEADMP CN(CCC[NH+]1CCCC1)Cc1[nH+]cn2ccccc12 ZINC001144622180 814131971 /nfs/dbraw/zinc/13/19/71/814131971.db2.gz FFXIUXHMCAPTHB-UHFFFAOYSA-N 2 1 272.396 2.252 20 0 CEADMP C[C@H]1CC[C@@H](N)C[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246826792 814268082 /nfs/dbraw/zinc/26/80/82/814268082.db2.gz YPSYNLDGYQEEBN-UONOGXRCSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@H]1CC[C@@H]([NH3+])CN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246826792 814268090 /nfs/dbraw/zinc/26/80/90/814268090.db2.gz YPSYNLDGYQEEBN-UONOGXRCSA-N 2 1 265.445 2.110 20 0 CEADMP Cc1cc2c(nc[nH+]c2NCC[C@H]2CCC[N@H+]2C)[nH]1 ZINC001160964843 814291173 /nfs/dbraw/zinc/29/11/73/814291173.db2.gz RHPXOXSUVPWDGM-LLVKDONJSA-N 2 1 259.357 2.163 20 0 CEADMP Cc1cc2c(nc[nH+]c2NCC[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001160964843 814291180 /nfs/dbraw/zinc/29/11/80/814291180.db2.gz RHPXOXSUVPWDGM-LLVKDONJSA-N 2 1 259.357 2.163 20 0 CEADMP C[N@H+](C1CCC2(CC[NH2+]CC2)CC1)[C@]1(C)CCCNC1 ZINC001246905918 814368136 /nfs/dbraw/zinc/36/81/36/814368136.db2.gz AUMQPKWPQIOVPJ-MRXNPFEDSA-N 2 1 279.472 2.373 20 0 CEADMP C[N@@H+](C1CCC2(CC[NH2+]CC2)CC1)[C@]1(C)CCCNC1 ZINC001246905918 814368138 /nfs/dbraw/zinc/36/81/38/814368138.db2.gz AUMQPKWPQIOVPJ-MRXNPFEDSA-N 2 1 279.472 2.373 20 0 CEADMP CN(CC[N@@H+](C)Cc1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC001246919803 814408039 /nfs/dbraw/zinc/40/80/39/814408039.db2.gz LDOANSHLHMLFCE-KRWDZBQOSA-N 2 1 275.440 2.192 20 0 CEADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1=CCCCC1 ZINC001161043027 814462005 /nfs/dbraw/zinc/46/20/05/814462005.db2.gz WPPNVGGNKVZBPZ-INIZCTEOSA-N 2 1 293.455 2.067 20 0 CEADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103612865 814512588 /nfs/dbraw/zinc/51/25/88/814512588.db2.gz YKAMNOZHAZROLZ-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001103612865 814512595 /nfs/dbraw/zinc/51/25/95/814512595.db2.gz YKAMNOZHAZROLZ-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103612865 814512600 /nfs/dbraw/zinc/51/26/00/814512600.db2.gz YKAMNOZHAZROLZ-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCCCC[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001148298999 814547227 /nfs/dbraw/zinc/54/72/27/814547227.db2.gz ZZXMRZFNNQTXEO-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]C[C@@H](C)CC(C)C ZINC001148572836 814588859 /nfs/dbraw/zinc/58/88/59/814588859.db2.gz NEVBRCVOCHMDKX-HNNXBMFYSA-N 2 1 285.476 2.106 20 0 CEADMP CC(C)O[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697027808 814645251 /nfs/dbraw/zinc/64/52/51/814645251.db2.gz IOJWGUHBQFJBOI-HUUCEWRRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+](CC)C1CCC(N(C(N)=[NH2+])c2cc(C)n[nH]2)CC1 ZINC001173108859 815582841 /nfs/dbraw/zinc/58/28/41/815582841.db2.gz SMQIAYOTTBHCPA-UHFFFAOYSA-N 2 1 292.431 2.071 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H](F)C[C@H]2CO)CC1 ZINC001173110103 815583075 /nfs/dbraw/zinc/58/30/75/815583075.db2.gz OUKJBEVJNFFCOF-PPWQZUPISA-N 2 1 272.408 2.044 20 0 CEADMP CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001115544826 814721106 /nfs/dbraw/zinc/72/11/06/814721106.db2.gz CSUANUXJFPFDPB-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000712451425 814748759 /nfs/dbraw/zinc/74/87/59/814748759.db2.gz KXNHCAGGPVOCLZ-ZIAGYGMSSA-N 2 1 252.402 2.291 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712454445 814748972 /nfs/dbraw/zinc/74/89/72/814748972.db2.gz WQGSDEVNBTZQKP-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP CCC[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001115806193 814757132 /nfs/dbraw/zinc/75/71/32/814757132.db2.gz PHYYANWLFCSECO-UHFFFAOYSA-N 2 1 283.460 2.147 20 0 CEADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCc2ncsc2C1 ZINC001173124529 815587926 /nfs/dbraw/zinc/58/79/26/815587926.db2.gz QHYJPVIZGZREKT-HTAVTVPLSA-N 2 1 265.426 2.202 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCOC(F)(F)F ZINC000713412779 814852393 /nfs/dbraw/zinc/85/23/93/814852393.db2.gz VDJGBJLRMGNFMV-JTQLQIEISA-N 2 1 256.312 2.218 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC(C)(C)CO2)CC[C@@H]1[NH3+] ZINC000713595996 814865675 /nfs/dbraw/zinc/86/56/75/814865675.db2.gz KHPXEEPHZBXZBB-MCIONIFRSA-N 2 1 254.418 2.251 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CCC[C@H](CC[NH3+])C2)OC1 ZINC000713596710 814866325 /nfs/dbraw/zinc/86/63/25/814866325.db2.gz NDRACZMFTLHBFI-ZIAGYGMSSA-N 2 1 254.418 2.252 20 0 CEADMP Cc1[nH+]ccn1CCOC(=O)c1ccc2c[nH+]cn2c1C ZINC001116601471 814867893 /nfs/dbraw/zinc/86/78/93/814867893.db2.gz GQPDIPNASVJNNZ-UHFFFAOYSA-N 2 1 284.319 2.005 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000714757798 814914474 /nfs/dbraw/zinc/91/44/74/814914474.db2.gz KIFFEULHWVUDLG-UHFFFAOYSA-N 2 1 260.381 2.325 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H]1COc2cccc(OC)c2C1 ZINC001173146754 815606002 /nfs/dbraw/zinc/60/60/02/815606002.db2.gz INQKCIICNKMHKN-CQSZACIVSA-N 2 1 292.423 2.320 20 0 CEADMP CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)C1 ZINC001173274435 815647280 /nfs/dbraw/zinc/64/72/80/815647280.db2.gz QFSMQXDFSPHIKP-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@@H](n2cc(CC[NH3+])c3cc(O)ccc32)C1 ZINC001173352658 815688371 /nfs/dbraw/zinc/68/83/71/815688371.db2.gz TWUIEMLNSXEJFZ-CYBMUJFWSA-N 2 1 273.380 2.115 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CCC([NH3+])(c3ccccc3)CC2)C1 ZINC001173354515 815693966 /nfs/dbraw/zinc/69/39/66/815693966.db2.gz OOCYOSYWTPYCDD-MRXNPFEDSA-N 2 1 273.424 2.031 20 0 CEADMP CC[N@H+]1CC[C@H](n2cc(C[NH3+])c3ccc(OC)cc32)C1 ZINC001173354929 815695846 /nfs/dbraw/zinc/69/58/46/815695846.db2.gz KYRGCCODVOTHJI-ZDUSSCGKSA-N 2 1 273.380 2.375 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC001173360956 815701664 /nfs/dbraw/zinc/70/16/64/815701664.db2.gz BCWLTZSXLHUTJJ-WMZOPIPTSA-N 2 1 287.451 2.459 20 0 CEADMP CCOC(=O)[C@H]1CC12CCC([NH2+]C1CC[NH+](C)CC1)CC2 ZINC001173598549 815756634 /nfs/dbraw/zinc/75/66/34/815756634.db2.gz CKCAPNBUHBSZIX-GNHJJJEISA-N 2 1 294.439 2.182 20 0 CEADMP CCOC(=O)[C@@H]1CC12CCC([NH2+]C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001173598459 815757010 /nfs/dbraw/zinc/75/70/10/815757010.db2.gz FSAUOUFSDHNHCL-BOLLXYOYSA-N 2 1 294.439 2.040 20 0 CEADMP COc1ccc2c(c1)c(C[N@H+]1C[C@H]3C[NH+](C)C[C@H]3C1)cn2C ZINC001139146761 815970224 /nfs/dbraw/zinc/97/02/24/815970224.db2.gz ATSZEMIYNVRYEG-OKILXGFUSA-N 2 1 299.418 2.180 20 0 CEADMP COc1ccc2c(c1)c(C[N@@H+]1C[C@H]3C[NH+](C)C[C@H]3C1)cn2C ZINC001139146761 815970227 /nfs/dbraw/zinc/97/02/27/815970227.db2.gz ATSZEMIYNVRYEG-OKILXGFUSA-N 2 1 299.418 2.180 20 0 CEADMP COc1ccc2c(c1)c(C[NH+]1C[C@H]3C[N@@H+](C)C[C@H]3C1)cn2C ZINC001139146761 815970230 /nfs/dbraw/zinc/97/02/30/815970230.db2.gz ATSZEMIYNVRYEG-OKILXGFUSA-N 2 1 299.418 2.180 20 0 CEADMP COc1ccc2c(c1)c(C[NH+]1C[C@H]3C[N@H+](C)C[C@H]3C1)cn2C ZINC001139146761 815970233 /nfs/dbraw/zinc/97/02/33/815970233.db2.gz ATSZEMIYNVRYEG-OKILXGFUSA-N 2 1 299.418 2.180 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256976 816163229 /nfs/dbraw/zinc/16/32/29/816163229.db2.gz RILPEZSMBZAPDG-GJZGRUSLSA-N 2 1 283.460 2.145 20 0 CEADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175265497 816165552 /nfs/dbraw/zinc/16/55/52/816165552.db2.gz YSEHRLQBHDWFSN-HOTGVXAUSA-N 2 1 297.487 2.249 20 0 CEADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)CC1COC1 ZINC001140026964 816168934 /nfs/dbraw/zinc/16/89/34/816168934.db2.gz RQJVRRUNPAAVGK-UHFFFAOYSA-N 2 1 271.364 2.259 20 0 CEADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)CC1COC1 ZINC001140026964 816168939 /nfs/dbraw/zinc/16/89/39/816168939.db2.gz RQJVRRUNPAAVGK-UHFFFAOYSA-N 2 1 271.364 2.259 20 0 CEADMP C[NH+](C)CCc1ccc(NC2=CCC[N@@H+](C)C2)cc1 ZINC001175578900 816242819 /nfs/dbraw/zinc/24/28/19/816242819.db2.gz QLURIKVZVQZTCP-UHFFFAOYSA-N 2 1 259.397 2.422 20 0 CEADMP CCCn1cncc1CNCCC[N@@H+](C)CC(C)C ZINC001203031277 816249258 /nfs/dbraw/zinc/24/92/58/816249258.db2.gz FTIKGIKZCVWODD-UHFFFAOYSA-N 2 1 266.433 2.361 20 0 CEADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCC2CCCCC2)C1 ZINC001176049138 816341237 /nfs/dbraw/zinc/34/12/37/816341237.db2.gz IFGMGMBLAVXEAL-MRXNPFEDSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176165782 816359090 /nfs/dbraw/zinc/35/90/90/816359090.db2.gz ORTADNUIDYYYIE-HOCLYGCPSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)CC1CCOCC1 ZINC001140802402 816363332 /nfs/dbraw/zinc/36/33/32/816363332.db2.gz UWDOEBCILROKKW-UHFFFAOYSA-N 2 1 259.353 2.421 20 0 CEADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)CC1CCOCC1 ZINC001140802402 816363342 /nfs/dbraw/zinc/36/33/42/816363342.db2.gz UWDOEBCILROKKW-UHFFFAOYSA-N 2 1 259.353 2.421 20 0 CEADMP C[NH+]1CC2(C1)CC[NH+](Cc1c[nH]c3ccncc13)CC2 ZINC001140804904 816363719 /nfs/dbraw/zinc/36/37/19/816363719.db2.gz JUPSBBNTMNSUME-UHFFFAOYSA-N 2 1 270.380 2.091 20 0 CEADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140805196 816368962 /nfs/dbraw/zinc/36/89/62/816368962.db2.gz WBCNQTNZVBCKKE-SCRDCRAPSA-N 2 1 299.374 2.336 20 0 CEADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140805196 816368966 /nfs/dbraw/zinc/36/89/66/816368966.db2.gz WBCNQTNZVBCKKE-SCRDCRAPSA-N 2 1 299.374 2.336 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]C(C)C ZINC001176267330 816384913 /nfs/dbraw/zinc/38/49/13/816384913.db2.gz BCVVWJCBZOOXGV-HNNXBMFYSA-N 2 1 285.476 2.391 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccn4ccnc4c3)C2)CC1 ZINC001141046453 816459273 /nfs/dbraw/zinc/45/92/73/816459273.db2.gz AUZCUTORAGIYOT-UHFFFAOYSA-N 2 1 284.407 2.252 20 0 CEADMP CCCCc1nc(CN2CC[C@@H]([N@@H+](C)C3CC3)C2)c[nH]1 ZINC001141073834 816470908 /nfs/dbraw/zinc/47/09/08/816470908.db2.gz LUMXNFNKBLVGHF-OAHLLOKOSA-N 2 1 276.428 2.421 20 0 CEADMP CCCCc1ncc(CN2CC[C@@H]([N@H+](C)C3CC3)C2)[nH]1 ZINC001141073834 816470913 /nfs/dbraw/zinc/47/09/13/816470913.db2.gz LUMXNFNKBLVGHF-OAHLLOKOSA-N 2 1 276.428 2.421 20 0 CEADMP CCCCc1ncc(CN2CC[C@@H]([N@@H+](C)C3CC3)C2)[nH]1 ZINC001141073834 816470914 /nfs/dbraw/zinc/47/09/14/816470914.db2.gz LUMXNFNKBLVGHF-OAHLLOKOSA-N 2 1 276.428 2.421 20 0 CEADMP CN(C)c1cccc(C[N@H+]2C[C@H]3CCCN(C)[C@H]3C2)c1 ZINC001141270491 816517855 /nfs/dbraw/zinc/51/78/55/816517855.db2.gz YTUHZTNNBGKHDU-WBVHZDCISA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1cccc(CN2C[C@H]3CCC[N@H+](C)[C@H]3C2)c1 ZINC001141270491 816517860 /nfs/dbraw/zinc/51/78/60/816517860.db2.gz YTUHZTNNBGKHDU-WBVHZDCISA-N 2 1 273.424 2.279 20 0 CEADMP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178361218 816732770 /nfs/dbraw/zinc/73/27/70/816732770.db2.gz VXRKPLRXQFAUKT-FCLICNRPSA-N 2 1 293.455 2.016 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360571751 282084676 /nfs/dbraw/zinc/08/46/76/282084676.db2.gz VVODYUMZSTYYBK-KRWDZBQOSA-N 2 1 282.391 2.124 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360571751 282084678 /nfs/dbraw/zinc/08/46/78/282084678.db2.gz VVODYUMZSTYYBK-KRWDZBQOSA-N 2 1 282.391 2.124 20 0 CEADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000124502011 187139891 /nfs/dbraw/zinc/13/98/91/187139891.db2.gz ULBPPBNELMCNOF-CQSZACIVSA-N 2 1 269.477 2.284 20 0 CEADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCCC1 ZINC000449094405 282098104 /nfs/dbraw/zinc/09/81/04/282098104.db2.gz RQRZVNYEPNDFMQ-INIZCTEOSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000124628001 187146573 /nfs/dbraw/zinc/14/65/73/187146573.db2.gz SKFVQXJCWSFWMD-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000121525719 365579770 /nfs/dbraw/zinc/57/97/70/365579770.db2.gz GNQPDMSHAUHMDT-IUODEOHRSA-N 2 1 287.411 2.228 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000449108229 282103278 /nfs/dbraw/zinc/10/32/78/282103278.db2.gz SWCGXMKNGDKUBF-AWEZNQCLSA-N 2 1 289.423 2.147 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+]2CCCC[C@H]2C1 ZINC000336524952 365595998 /nfs/dbraw/zinc/59/59/98/365595998.db2.gz ZUTJLQOSNIOCPE-CVEARBPZSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000336524952 365596003 /nfs/dbraw/zinc/59/60/03/365596003.db2.gz ZUTJLQOSNIOCPE-CVEARBPZSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000336524952 365596005 /nfs/dbraw/zinc/59/60/05/365596005.db2.gz ZUTJLQOSNIOCPE-CVEARBPZSA-N 2 1 265.445 2.031 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000449121450 282107788 /nfs/dbraw/zinc/10/77/88/282107788.db2.gz HRFFVVDQCSQBFZ-ZIAGYGMSSA-N 2 1 295.471 2.144 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH2+]CCC)CC1 ZINC000449130654 282111868 /nfs/dbraw/zinc/11/18/68/282111868.db2.gz ZXJKWBCKINSYBT-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP N[C@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccccc21 ZINC000567652913 299071385 /nfs/dbraw/zinc/07/13/85/299071385.db2.gz OVIJCUOQIUQPQQ-HOTGVXAUSA-N 2 1 257.381 2.031 20 0 CEADMP COc1c(C)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1C ZINC000336537782 365615697 /nfs/dbraw/zinc/61/56/97/365615697.db2.gz KPXFLNLABBQCRB-UKRRQHHQSA-N 2 1 262.397 2.481 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000122715013 365630871 /nfs/dbraw/zinc/63/08/71/365630871.db2.gz FIIVCWKBNPBCCJ-GOEBONIOSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)CC1 ZINC000122715013 365630877 /nfs/dbraw/zinc/63/08/77/365630877.db2.gz FIIVCWKBNPBCCJ-GOEBONIOSA-N 2 1 267.461 2.038 20 0 CEADMP Cc1cccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)n1 ZINC000336571173 365659538 /nfs/dbraw/zinc/65/95/38/365659538.db2.gz KBQPXSBRTQHANL-CYBMUJFWSA-N 2 1 256.353 2.493 20 0 CEADMP CN(CCC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000125212556 365669577 /nfs/dbraw/zinc/66/95/77/365669577.db2.gz KZRNBQBWFIELKT-INIZCTEOSA-N 3 1 267.461 2.136 20 0 CEADMP Cc1cccc(N2CCC([NH2+]Cc3ccn(C)c3)CC2)[nH+]1 ZINC000125638848 365680052 /nfs/dbraw/zinc/68/00/52/365680052.db2.gz MKPUDMNDAHMCHF-UHFFFAOYSA-N 2 1 284.407 2.487 20 0 CEADMP CCCc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)s1 ZINC000621330306 349563434 /nfs/dbraw/zinc/56/34/34/349563434.db2.gz GZWFWRBFKCILLG-CYBMUJFWSA-N 2 1 282.453 2.247 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000621333778 349564361 /nfs/dbraw/zinc/56/43/61/349564361.db2.gz QHVMZILIDLMMGQ-CYBMUJFWSA-N 2 1 288.395 2.411 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3c[nH]nc32)CC1 ZINC000125230363 187175115 /nfs/dbraw/zinc/17/51/15/187175115.db2.gz IFKSLQIUPRBLHX-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3c[nH]nc32)CC1 ZINC000125230363 187175116 /nfs/dbraw/zinc/17/51/16/187175116.db2.gz IFKSLQIUPRBLHX-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621381661 349589448 /nfs/dbraw/zinc/58/94/48/349589448.db2.gz YULAMEHJUJGGOB-CQSZACIVSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621381661 349589450 /nfs/dbraw/zinc/58/94/50/349589450.db2.gz YULAMEHJUJGGOB-CQSZACIVSA-N 2 1 265.401 2.065 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000037621745 361913757 /nfs/dbraw/zinc/91/37/57/361913757.db2.gz KGPKHQXNNSGAIV-OAHLLOKOSA-N 2 1 287.367 2.032 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(F)c2)CC1 ZINC000037979040 361969388 /nfs/dbraw/zinc/96/93/88/361969388.db2.gz NHYMESKDPDFADR-UHFFFAOYSA-N 2 1 266.360 2.408 20 0 CEADMP C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000621642121 349649594 /nfs/dbraw/zinc/64/95/94/349649594.db2.gz FEUUGMRNLJBOOT-BZUAXINKSA-N 2 1 295.471 2.003 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCOC(C)(C)C ZINC000676716689 539167906 /nfs/dbraw/zinc/16/79/06/539167906.db2.gz ANHMPTFBTNNFLO-OAGGEKHMSA-N 2 1 298.471 2.375 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000070326633 539173432 /nfs/dbraw/zinc/17/34/32/539173432.db2.gz DONVTKWGPYLJSG-KCQAQPDRSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)Cc2cccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)c2O1 ZINC000090320213 539182016 /nfs/dbraw/zinc/18/20/16/539182016.db2.gz VKRSPOBYUOZDFA-HUUCEWRRSA-N 2 1 272.392 2.051 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3O)CC[N@@H+]1C ZINC000130253040 539185700 /nfs/dbraw/zinc/18/57/00/539185700.db2.gz OGLVRSYMRSQFKD-LALPHHSUSA-N 2 1 260.381 2.452 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3O)CC[N@H+]1C ZINC000130253040 539185701 /nfs/dbraw/zinc/18/57/01/539185701.db2.gz OGLVRSYMRSQFKD-LALPHHSUSA-N 2 1 260.381 2.452 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000449319506 282186128 /nfs/dbraw/zinc/18/61/28/282186128.db2.gz KELIYCJUHSKQDM-QLFBSQMISA-N 2 1 297.487 2.390 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(N)c3)CC[C@@H]21 ZINC000125484312 539219046 /nfs/dbraw/zinc/21/90/46/539219046.db2.gz TWPBNUVZBRKRAN-HOCLYGCPSA-N 2 1 259.397 2.185 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000621782086 349700833 /nfs/dbraw/zinc/70/08/33/349700833.db2.gz MGKTYQJNQOVFSL-RDJZCZTQSA-N 2 1 282.391 2.186 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000621782086 349700837 /nfs/dbraw/zinc/70/08/37/349700837.db2.gz MGKTYQJNQOVFSL-RDJZCZTQSA-N 2 1 282.391 2.186 20 0 CEADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c2ccccc21 ZINC000621761685 349695283 /nfs/dbraw/zinc/69/52/83/349695283.db2.gz LDGDOLLZEVOGQI-CJNGLKHVSA-N 2 1 289.423 2.272 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]CC[C@@H]1CCOC1 ZINC000668617341 539215296 /nfs/dbraw/zinc/21/52/96/539215296.db2.gz YIIGGCAFIJFQKU-LSDHHAIUSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(CO)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000126344603 539229480 /nfs/dbraw/zinc/22/94/80/539229480.db2.gz SSVNLSQKJFXTTA-UHFFFAOYSA-N 2 1 276.424 2.259 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357105991 529567862 /nfs/dbraw/zinc/56/78/62/529567862.db2.gz OSIJNDFVQLKQAK-GOEBONIOSA-N 2 1 274.408 2.299 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)OC ZINC000449404548 282222770 /nfs/dbraw/zinc/22/27/70/282222770.db2.gz VBUGXJHYTGTSNC-XGUBFFRZSA-N 2 1 256.434 2.367 20 0 CEADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000041664377 362046019 /nfs/dbraw/zinc/04/60/19/362046019.db2.gz WPJJMWZZLCBOMV-YIONKMFJSA-N 2 1 260.381 2.410 20 0 CEADMP CCN(C(=O)CC[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000622146267 349803467 /nfs/dbraw/zinc/80/34/67/349803467.db2.gz MUWJSECGRGHWDI-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CC)C1 ZINC000622146267 349803470 /nfs/dbraw/zinc/80/34/70/349803470.db2.gz MUWJSECGRGHWDI-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)CC[C@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CC)C1 ZINC000622146267 349803473 /nfs/dbraw/zinc/80/34/73/349803473.db2.gz MUWJSECGRGHWDI-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H](C[C@@H]1CCOC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000675736138 539300305 /nfs/dbraw/zinc/30/03/05/539300305.db2.gz NUJXEAQDZVSBGI-STQMWFEESA-N 2 1 252.402 2.018 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)oc1C ZINC000601970546 346946297 /nfs/dbraw/zinc/94/62/97/346946297.db2.gz LUYLRVPAWCHMPK-LBPRGKRZSA-N 2 1 294.395 2.242 20 0 CEADMP CCc1ncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000414371270 529752968 /nfs/dbraw/zinc/75/29/68/529752968.db2.gz MTKVGQRZIUTVPD-UHFFFAOYSA-N 2 1 288.439 2.347 20 0 CEADMP CCc1ncc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)s1 ZINC000414913818 529756190 /nfs/dbraw/zinc/75/61/90/529756190.db2.gz WYOOXEIJOVCTEN-CYBMUJFWSA-N 2 1 253.415 2.185 20 0 CEADMP C[C@H](CCC[NH3+])NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000449573967 282288750 /nfs/dbraw/zinc/28/87/50/282288750.db2.gz UXDQSEWIFLPBNI-RISCZKNCSA-N 2 1 297.830 2.186 20 0 CEADMP CC[NH+](CC)[C@@H](C(=O)NCC[N@H+](C)CC)c1ccccc1 ZINC000067483163 343737316 /nfs/dbraw/zinc/73/73/16/343737316.db2.gz XCYMNYQMRWKVIK-MRXNPFEDSA-N 2 1 291.439 2.137 20 0 CEADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000295077500 199333381 /nfs/dbraw/zinc/33/33/81/199333381.db2.gz RREOQNVIHFLFLC-HUUCEWRRSA-N 2 1 259.397 2.149 20 0 CEADMP C[NH+](C)C1(C[NH2+]C2CCCCCC2)CCOCC1 ZINC000073008934 343818518 /nfs/dbraw/zinc/81/85/18/343818518.db2.gz DIAIUMXUKHQBPQ-UHFFFAOYSA-N 2 1 254.418 2.410 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000073225078 343825261 /nfs/dbraw/zinc/82/52/61/343825261.db2.gz PGESUWGFKAIJNF-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000622651359 349872659 /nfs/dbraw/zinc/87/26/59/349872659.db2.gz CIAVVNXHZFPOPL-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000622651359 349872660 /nfs/dbraw/zinc/87/26/60/349872660.db2.gz CIAVVNXHZFPOPL-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCN2CCc3ccccc32)CC1 ZINC000292894636 539374389 /nfs/dbraw/zinc/37/43/89/539374389.db2.gz QQBVIQCTPMUPJL-KRWDZBQOSA-N 2 1 287.451 2.465 20 0 CEADMP CC(C)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000048463042 362274753 /nfs/dbraw/zinc/27/47/53/362274753.db2.gz ZBDCJOPCZYGZBZ-UHFFFAOYSA-N 2 1 262.397 2.264 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC000081584580 344058868 /nfs/dbraw/zinc/05/88/68/344058868.db2.gz IVIUBWREVFGUOL-MRXNPFEDSA-N 2 1 278.444 2.164 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC000081584580 344058872 /nfs/dbraw/zinc/05/88/72/344058872.db2.gz IVIUBWREVFGUOL-MRXNPFEDSA-N 2 1 278.444 2.164 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCn2nc(C)cc2C)C1 ZINC000081584580 344058875 /nfs/dbraw/zinc/05/88/75/344058875.db2.gz IVIUBWREVFGUOL-MRXNPFEDSA-N 2 1 278.444 2.164 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCn2nc(C)cc2C)C1 ZINC000081584580 344058877 /nfs/dbraw/zinc/05/88/77/344058877.db2.gz IVIUBWREVFGUOL-MRXNPFEDSA-N 2 1 278.444 2.164 20 0 CEADMP COCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000088568317 344111844 /nfs/dbraw/zinc/11/18/44/344111844.db2.gz WMIMFDMNAKDQBF-INIZCTEOSA-N 2 1 262.397 2.264 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090809737 344143604 /nfs/dbraw/zinc/14/36/04/344143604.db2.gz WMHJIWIAUCDKPG-ZNMIVQPWSA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccnc1 ZINC000091306498 344161129 /nfs/dbraw/zinc/16/11/29/344161129.db2.gz PPJTWLCIVYVFCV-KRWDZBQOSA-N 2 1 291.439 2.215 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000135265106 344380768 /nfs/dbraw/zinc/38/07/68/344380768.db2.gz KSEAFKMOFIZABH-QWRGUYRKSA-N 2 1 264.373 2.028 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000233501399 344581884 /nfs/dbraw/zinc/58/18/84/344581884.db2.gz IXJQMMXZYQEMIJ-ZDUSSCGKSA-N 2 1 294.370 2.044 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000233501399 344581885 /nfs/dbraw/zinc/58/18/85/344581885.db2.gz IXJQMMXZYQEMIJ-ZDUSSCGKSA-N 2 1 294.370 2.044 20 0 CEADMP Cc1nccn1C[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246746178 539396988 /nfs/dbraw/zinc/39/69/88/539396988.db2.gz OKNOABVVFGUDSF-KBMXLJTQSA-N 2 1 276.428 2.044 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246746178 539396992 /nfs/dbraw/zinc/39/69/92/539396992.db2.gz OKNOABVVFGUDSF-KBMXLJTQSA-N 3 1 276.428 2.044 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246746178 539396996 /nfs/dbraw/zinc/39/69/96/539396996.db2.gz OKNOABVVFGUDSF-KBMXLJTQSA-N 3 1 276.428 2.044 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CCC[N@@H+](C)C1 ZINC000251184101 344635892 /nfs/dbraw/zinc/63/58/92/344635892.db2.gz HXSNPIHVXRZECA-BZUAXINKSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000251184101 344635894 /nfs/dbraw/zinc/63/58/94/344635894.db2.gz HXSNPIHVXRZECA-BZUAXINKSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000251184101 344635895 /nfs/dbraw/zinc/63/58/95/344635895.db2.gz HXSNPIHVXRZECA-BZUAXINKSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000252092472 344638514 /nfs/dbraw/zinc/63/85/14/344638514.db2.gz HIBQEYVIYKQDKF-XLWJZTARSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000252092472 344638516 /nfs/dbraw/zinc/63/85/16/344638516.db2.gz HIBQEYVIYKQDKF-XLWJZTARSA-N 2 1 252.402 2.159 20 0 CEADMP Cc1csc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)n1 ZINC000314250582 344745143 /nfs/dbraw/zinc/74/51/43/344745143.db2.gz ZDXKWSHHUJBUOL-LLVKDONJSA-N 2 1 264.398 2.468 20 0 CEADMP CC1CCC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000304368241 344707717 /nfs/dbraw/zinc/70/77/17/344707717.db2.gz ZFZCQPNUELSVNC-GPANFISMSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411926040 530056783 /nfs/dbraw/zinc/05/67/83/530056783.db2.gz OOUKYNHJXVNYOJ-IXDOHACOSA-N 2 1 274.408 2.279 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411926040 530056784 /nfs/dbraw/zinc/05/67/84/530056784.db2.gz OOUKYNHJXVNYOJ-IXDOHACOSA-N 2 1 274.408 2.279 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411926040 530056785 /nfs/dbraw/zinc/05/67/85/530056785.db2.gz OOUKYNHJXVNYOJ-IXDOHACOSA-N 2 1 274.408 2.279 20 0 CEADMP Cn1c(C[NH+]2CCC(CC[NH3+])CC2)nnc1-c1ccccc1 ZINC000568056891 299114453 /nfs/dbraw/zinc/11/44/53/299114453.db2.gz FNHZWUIIPLILTI-UHFFFAOYSA-N 2 1 299.422 2.043 20 0 CEADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668156653 539429758 /nfs/dbraw/zinc/42/97/58/539429758.db2.gz XFTXERXIIVQFCG-KRWDZBQOSA-N 2 1 292.423 2.238 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668156653 539429761 /nfs/dbraw/zinc/42/97/61/539429761.db2.gz XFTXERXIIVQFCG-KRWDZBQOSA-N 2 1 292.423 2.238 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC3=CCCC3)C2)CC1 ZINC000592070115 345318597 /nfs/dbraw/zinc/31/85/97/345318597.db2.gz HABUHRINLRUBGO-QGZVFWFLSA-N 2 1 277.456 2.197 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]C/C=C\c2ccccc2)CC1 ZINC000591718866 345274985 /nfs/dbraw/zinc/27/49/85/345274985.db2.gz IVMCLLDVDURPNY-YHYXMXQVSA-N 2 1 287.451 2.317 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1SC ZINC000592377484 345348166 /nfs/dbraw/zinc/34/81/66/345348166.db2.gz YLAAKKNDCUGLHG-JARUQAPTSA-N 2 1 284.469 2.112 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402290 232176481 /nfs/dbraw/zinc/17/64/81/232176481.db2.gz BDJCBMAHMURHGK-MNOVXSKESA-N 2 1 266.389 2.274 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@@H]1SC ZINC000592169886 345333840 /nfs/dbraw/zinc/33/38/40/345333840.db2.gz YOZBLTXZBVYTMW-TUVASFSCSA-N 2 1 286.485 2.359 20 0 CEADMP Cn1c[nH+]cc1CCN(CC(=O)OC(C)(C)C)CC1CC1 ZINC000593072431 345434261 /nfs/dbraw/zinc/43/42/61/345434261.db2.gz ZOKFNKVUJOSLOW-UHFFFAOYSA-N 2 1 293.411 2.016 20 0 CEADMP C[N@H+](C[C@H]1CCC2(CCCC2)O1)[C@@H](C[NH3+])C1CC1 ZINC000229371259 539465219 /nfs/dbraw/zinc/46/52/19/539465219.db2.gz JOGAJPIOYBNUCI-KGLIPLIRSA-N 2 1 252.402 2.147 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(CCCC2)O1)[C@@H](C[NH3+])C1CC1 ZINC000229371259 539465222 /nfs/dbraw/zinc/46/52/22/539465222.db2.gz JOGAJPIOYBNUCI-KGLIPLIRSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000229370877 539465238 /nfs/dbraw/zinc/46/52/38/539465238.db2.gz BNPJBCKJJZBELL-MCIONIFRSA-N 2 1 252.402 2.147 20 0 CEADMP COC(=O)c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593733956 345529299 /nfs/dbraw/zinc/52/92/99/345529299.db2.gz PAXUIZJNBLDREY-YOEHRIQHSA-N 2 1 288.391 2.034 20 0 CEADMP COC(=O)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593733956 345529300 /nfs/dbraw/zinc/52/93/00/345529300.db2.gz PAXUIZJNBLDREY-YOEHRIQHSA-N 2 1 288.391 2.034 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1C ZINC000125870467 232208739 /nfs/dbraw/zinc/20/87/39/232208739.db2.gz JVFLAKDWQCFOHH-KFWWJZLASA-N 2 1 269.477 2.425 20 0 CEADMP CC[NH+](CC)CC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000058832678 362640739 /nfs/dbraw/zinc/64/07/39/362640739.db2.gz XKBBOEYIEPPWGX-UHFFFAOYSA-N 2 1 291.439 2.096 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594921691 345702386 /nfs/dbraw/zinc/70/23/86/345702386.db2.gz RAOFBMXAGXYEJR-LVQVYYBASA-N 2 1 296.455 2.428 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594921691 345702388 /nfs/dbraw/zinc/70/23/88/345702388.db2.gz RAOFBMXAGXYEJR-LVQVYYBASA-N 2 1 296.455 2.428 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CSCCF)C1 ZINC000595012139 345726901 /nfs/dbraw/zinc/72/69/01/345726901.db2.gz DTXJDZQTZDKBLC-QWHCGFSZSA-N 2 1 262.438 2.399 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CC(C)(C)C)C1 ZINC000307849819 539490093 /nfs/dbraw/zinc/49/00/93/539490093.db2.gz ZWLRKJNYOONIFM-CABCVRRESA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000307849819 539490096 /nfs/dbraw/zinc/49/00/96/539490096.db2.gz ZWLRKJNYOONIFM-CABCVRRESA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000307849819 539490100 /nfs/dbraw/zinc/49/01/00/539490100.db2.gz ZWLRKJNYOONIFM-CABCVRRESA-N 2 1 270.461 2.446 20 0 CEADMP CC[C@@H](C)[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128254305 187360332 /nfs/dbraw/zinc/36/03/32/187360332.db2.gz GULLMXQMQYFVJD-HUUCEWRRSA-N 2 1 255.450 2.038 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000595887112 345905992 /nfs/dbraw/zinc/90/59/92/345905992.db2.gz ATDFCZUNOHIBIU-AVGNSLFASA-N 2 1 294.420 2.094 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000595887112 345905994 /nfs/dbraw/zinc/90/59/94/345905994.db2.gz ATDFCZUNOHIBIU-AVGNSLFASA-N 2 1 294.420 2.094 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cs1 ZINC000595892657 345907890 /nfs/dbraw/zinc/90/78/90/345907890.db2.gz NZLDOBPNDZQZJN-GFCCVEGCSA-N 2 1 282.409 2.012 20 0 CEADMP COC(=O)CC1(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000595900186 345910403 /nfs/dbraw/zinc/91/04/03/345910403.db2.gz AGZAJVVTGFYDLA-OAHLLOKOSA-N 2 1 294.439 2.041 20 0 CEADMP COc1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000295123881 199357952 /nfs/dbraw/zinc/35/79/52/199357952.db2.gz XPZWEKOTDAUXOB-OLZOCXBDSA-N 2 1 295.814 2.460 20 0 CEADMP COc1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000295123881 199357954 /nfs/dbraw/zinc/35/79/54/199357954.db2.gz XPZWEKOTDAUXOB-OLZOCXBDSA-N 2 1 295.814 2.460 20 0 CEADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000062014508 362701652 /nfs/dbraw/zinc/70/16/52/362701652.db2.gz GUFYTNYHPGJFMA-CYBMUJFWSA-N 2 1 281.831 2.238 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CCCc2c1cnn2C)C[NH+]1CCCC1 ZINC000062078311 362705122 /nfs/dbraw/zinc/70/51/22/362705122.db2.gz OVQKMSQXFAKGGP-DZGCQCFKSA-N 2 1 276.428 2.119 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000599023117 346447483 /nfs/dbraw/zinc/44/74/83/346447483.db2.gz BJTQYNYJCIZKPM-QDIHITRGSA-N 2 1 294.439 2.325 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000599023117 346447484 /nfs/dbraw/zinc/44/74/84/346447484.db2.gz BJTQYNYJCIZKPM-QDIHITRGSA-N 2 1 294.439 2.325 20 0 CEADMP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH+]1CCC(C)CC1 ZINC000063466970 362766887 /nfs/dbraw/zinc/76/68/87/362766887.db2.gz CXMHTYGTLGFTOO-MRXNPFEDSA-N 2 1 297.487 2.199 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000336799290 365825443 /nfs/dbraw/zinc/82/54/43/365825443.db2.gz ICKCODMCPBVJPP-JKSUJKDBSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000336799290 365825452 /nfs/dbraw/zinc/82/54/52/365825452.db2.gz ICKCODMCPBVJPP-JKSUJKDBSA-N 2 1 266.429 2.077 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CCCCO2)C1 ZINC000336800333 365828734 /nfs/dbraw/zinc/82/87/34/365828734.db2.gz LUKIGAUSRRTOQI-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000336800333 365828740 /nfs/dbraw/zinc/82/87/40/365828740.db2.gz LUKIGAUSRRTOQI-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000336800333 365828745 /nfs/dbraw/zinc/82/87/45/365828745.db2.gz LUKIGAUSRRTOQI-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CC1(C)[C@H](O)C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000129194270 365835458 /nfs/dbraw/zinc/83/54/58/365835458.db2.gz VSLILPFETIDYAO-IAGOWNOFSA-N 2 1 288.435 2.400 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+]C[C@H]2CCC[N@@H+](CC)C2)C1 ZINC000601264785 346805660 /nfs/dbraw/zinc/80/56/60/346805660.db2.gz HIQMIQYFGHDVBP-VQCLRJIVSA-N 2 1 282.428 2.040 20 0 CEADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000602678659 347140335 /nfs/dbraw/zinc/14/03/35/347140335.db2.gz MYHFKBKKBIVTGG-YJNKXOJESA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602678659 347140339 /nfs/dbraw/zinc/14/03/39/347140339.db2.gz MYHFKBKKBIVTGG-YJNKXOJESA-N 2 1 282.428 2.181 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000602685424 347144921 /nfs/dbraw/zinc/14/49/21/347144921.db2.gz OWJWXQBWBNBRJJ-TUVASFSCSA-N 2 1 282.428 2.181 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602685424 347144924 /nfs/dbraw/zinc/14/49/24/347144924.db2.gz OWJWXQBWBNBRJJ-TUVASFSCSA-N 2 1 282.428 2.181 20 0 CEADMP Cc1noc(CCC[N@H+](C)C2CC[NH+](C(C)C)CC2)n1 ZINC000336823354 365876734 /nfs/dbraw/zinc/87/67/34/365876734.db2.gz PDDPOSGGEUDSNQ-UHFFFAOYSA-N 2 1 280.416 2.115 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CC12CC2 ZINC000527899690 313214060 /nfs/dbraw/zinc/21/40/60/313214060.db2.gz WKRBJSXHEOWCDW-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CC12CC2 ZINC000527899690 313214064 /nfs/dbraw/zinc/21/40/64/313214064.db2.gz WKRBJSXHEOWCDW-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP CCN(C#N)CC[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000602917607 347246303 /nfs/dbraw/zinc/24/63/03/347246303.db2.gz OSCXCSOMAKMHLX-UHFFFAOYSA-N 2 1 288.439 2.373 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000128508700 187375665 /nfs/dbraw/zinc/37/56/65/187375665.db2.gz AZTYOCPVGMAZLS-CQSZACIVSA-N 2 1 280.412 2.379 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129798793 365895001 /nfs/dbraw/zinc/89/50/01/365895001.db2.gz DKGLHNLLCRTLLC-HIFRSBDPSA-N 2 1 286.423 2.417 20 0 CEADMP c1cnn(-c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)c1 ZINC000334413181 539591634 /nfs/dbraw/zinc/59/16/34/539591634.db2.gz LVBCNJXFBVELPT-GOSISDBHSA-N 2 1 296.418 2.448 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCc2cnn(-c3ccccc3)c2)CC[N@H+]1C ZINC000130362016 365948697 /nfs/dbraw/zinc/94/86/97/365948697.db2.gz AQSPMYAKBKOXGF-RDJZCZTQSA-N 2 1 298.434 2.487 20 0 CEADMP COc1ccc(OCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000128692107 187384227 /nfs/dbraw/zinc/38/42/27/187384227.db2.gz RPBPEODAFIEWAO-CJNGLKHVSA-N 2 1 278.396 2.004 20 0 CEADMP Cc1nccn1CCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339428628 215161280 /nfs/dbraw/zinc/16/12/80/215161280.db2.gz QZGKSKUWGLFVLB-QGZVFWFLSA-N 2 1 290.455 2.389 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428628 215161282 /nfs/dbraw/zinc/16/12/82/215161282.db2.gz QZGKSKUWGLFVLB-QGZVFWFLSA-N 2 1 290.455 2.389 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428628 215161283 /nfs/dbraw/zinc/16/12/83/215161283.db2.gz QZGKSKUWGLFVLB-QGZVFWFLSA-N 2 1 290.455 2.389 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)CC3CCCC3)C2)C1 ZINC000339441874 215174903 /nfs/dbraw/zinc/17/49/03/215174903.db2.gz RYELPARXKLLVOK-IRXDYDNUSA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)CC3CCCC3)C2)C1 ZINC000339441874 215174906 /nfs/dbraw/zinc/17/49/06/215174906.db2.gz RYELPARXKLLVOK-IRXDYDNUSA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)CC3CCCC3)C2)C1 ZINC000339441874 215174907 /nfs/dbraw/zinc/17/49/07/215174907.db2.gz RYELPARXKLLVOK-IRXDYDNUSA-N 2 1 280.456 2.345 20 0 CEADMP CCn1ccnc1[C@H](C)NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000456350449 539631878 /nfs/dbraw/zinc/63/18/78/539631878.db2.gz KAEWWTXBSPVKRG-KBPBESRZSA-N 2 1 292.427 2.345 20 0 CEADMP CN(C)[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccco1 ZINC000623337476 349991526 /nfs/dbraw/zinc/99/15/26/349991526.db2.gz MGQJOQLNMKEUDA-KBPBESRZSA-N 2 1 279.428 2.345 20 0 CEADMP CN(C)[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccco1 ZINC000623337476 349991529 /nfs/dbraw/zinc/99/15/29/349991529.db2.gz MGQJOQLNMKEUDA-KBPBESRZSA-N 2 1 279.428 2.345 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccco1 ZINC000623337479 349991700 /nfs/dbraw/zinc/99/17/00/349991700.db2.gz MGQJOQLNMKEUDA-ZIAGYGMSSA-N 2 1 279.428 2.345 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccco1 ZINC000623337479 349991704 /nfs/dbraw/zinc/99/17/04/349991704.db2.gz MGQJOQLNMKEUDA-ZIAGYGMSSA-N 2 1 279.428 2.345 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623351231 349995783 /nfs/dbraw/zinc/99/57/83/349995783.db2.gz IDEHBEANCHXNNC-CQSZACIVSA-N 2 1 255.450 2.179 20 0 CEADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623351231 349995786 /nfs/dbraw/zinc/99/57/86/349995786.db2.gz IDEHBEANCHXNNC-CQSZACIVSA-N 2 1 255.450 2.179 20 0 CEADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623351231 349995789 /nfs/dbraw/zinc/99/57/89/349995789.db2.gz IDEHBEANCHXNNC-CQSZACIVSA-N 2 1 255.450 2.179 20 0 CEADMP CN(CCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CC(F)(F)F ZINC000623358210 349997865 /nfs/dbraw/zinc/99/78/65/349997865.db2.gz TVCHXTJVYILHNW-GFCCVEGCSA-N 2 1 295.393 2.333 20 0 CEADMP Cc1noc(C)c1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339072799 539657963 /nfs/dbraw/zinc/65/79/63/539657963.db2.gz ZOPOREXEFTWAFU-KBPBESRZSA-N 2 1 263.385 2.050 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339073721 539658098 /nfs/dbraw/zinc/65/80/98/539658098.db2.gz DSTIUNKVSJSSMD-GVDBMIGSSA-N 2 1 279.472 2.467 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339073721 539658102 /nfs/dbraw/zinc/65/81/02/539658102.db2.gz DSTIUNKVSJSSMD-GVDBMIGSSA-N 2 1 279.472 2.467 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339073721 539658107 /nfs/dbraw/zinc/65/81/07/539658107.db2.gz DSTIUNKVSJSSMD-GVDBMIGSSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCC[C@H]1C ZINC000617502571 348717626 /nfs/dbraw/zinc/71/76/26/348717626.db2.gz UYFWMBCWMAWICI-PMPSAXMXSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCC[C@H]1C ZINC000617502571 348717628 /nfs/dbraw/zinc/71/76/28/348717628.db2.gz UYFWMBCWMAWICI-PMPSAXMXSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCC1CCCC1 ZINC000617503413 348718898 /nfs/dbraw/zinc/71/88/98/348718898.db2.gz IAVBHBACEDYRAA-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCC1CCCC1 ZINC000617503413 348718900 /nfs/dbraw/zinc/71/89/00/348718900.db2.gz IAVBHBACEDYRAA-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@H](C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000617351811 348687430 /nfs/dbraw/zinc/68/74/30/348687430.db2.gz PWNZVHQIXXMJIJ-LXTVHRRPSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000617351811 348687432 /nfs/dbraw/zinc/68/74/32/348687432.db2.gz PWNZVHQIXXMJIJ-LXTVHRRPSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000617351811 348687435 /nfs/dbraw/zinc/68/74/35/348687435.db2.gz PWNZVHQIXXMJIJ-LXTVHRRPSA-N 2 1 295.471 2.237 20 0 CEADMP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1)[NH+](CC)CC ZINC000617928685 348828175 /nfs/dbraw/zinc/82/81/75/348828175.db2.gz UIXAPPBCNSQMKF-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400587048 233178930 /nfs/dbraw/zinc/17/89/30/233178930.db2.gz SIUMGSNQRKXJME-CGTJXYLNSA-N 2 1 287.451 2.239 20 0 CEADMP CC(=O)N1CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c2ccccc21 ZINC000681090744 539719268 /nfs/dbraw/zinc/71/92/68/539719268.db2.gz QDNVXBNLMJMVLA-CZUORRHYSA-N 2 1 289.423 2.414 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCCn2ccnc2)CC1(C)C ZINC000623371859 350002540 /nfs/dbraw/zinc/00/25/40/350002540.db2.gz WIIPORITGSHDPH-AWEZNQCLSA-N 2 1 264.417 2.126 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC1(C)C ZINC000623373530 350002650 /nfs/dbraw/zinc/00/26/50/350002650.db2.gz BGMRJYXPVIYTMT-VNQPRFMTSA-N 2 1 274.408 2.107 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC1(C)C ZINC000623373530 350002653 /nfs/dbraw/zinc/00/26/53/350002653.db2.gz BGMRJYXPVIYTMT-VNQPRFMTSA-N 2 1 274.408 2.107 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000620622079 349406223 /nfs/dbraw/zinc/40/62/23/349406223.db2.gz CXXNUUYKDJERJX-CYBMUJFWSA-N 2 1 285.476 2.390 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000620623988 349407356 /nfs/dbraw/zinc/40/73/56/349407356.db2.gz KOGJHWXJMMVUFJ-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@H]([NH2+]CCCCO)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518833 233253754 /nfs/dbraw/zinc/25/37/54/233253754.db2.gz QLEGKTHNDKJEPQ-UONOGXRCSA-N 2 1 254.418 2.002 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623402400 350010376 /nfs/dbraw/zinc/01/03/76/350010376.db2.gz JCXKJWRVIBGTLX-AAEUAGOBSA-N 2 1 264.417 2.252 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623402400 350010381 /nfs/dbraw/zinc/01/03/81/350010381.db2.gz JCXKJWRVIBGTLX-AAEUAGOBSA-N 2 1 264.417 2.252 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623402403 350010456 /nfs/dbraw/zinc/01/04/56/350010456.db2.gz JCXKJWRVIBGTLX-YPMHNXCESA-N 2 1 264.417 2.252 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623402403 350010457 /nfs/dbraw/zinc/01/04/57/350010457.db2.gz JCXKJWRVIBGTLX-YPMHNXCESA-N 2 1 264.417 2.252 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)c2ccccc2)CC1(C)C ZINC000623420749 350015808 /nfs/dbraw/zinc/01/58/08/350015808.db2.gz NRIYBLLZGBGBJN-LSDHHAIUSA-N 2 1 262.397 2.182 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)c2ccccc2)CC1(C)C ZINC000623420749 350015812 /nfs/dbraw/zinc/01/58/12/350015812.db2.gz NRIYBLLZGBGBJN-LSDHHAIUSA-N 2 1 262.397 2.182 20 0 CEADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623431849 350019111 /nfs/dbraw/zinc/01/91/11/350019111.db2.gz UOXBBOIBLYETSS-WFASDCNBSA-N 2 1 292.471 2.430 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623436949 350020499 /nfs/dbraw/zinc/02/04/99/350020499.db2.gz LFLBQRACBBLZDK-LSDHHAIUSA-N 2 1 270.461 2.494 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656881 350076383 /nfs/dbraw/zinc/07/63/83/350076383.db2.gz DOLWRZOBZQHNRM-AWEZNQCLSA-N 2 1 292.471 2.366 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656881 350076387 /nfs/dbraw/zinc/07/63/87/350076387.db2.gz DOLWRZOBZQHNRM-AWEZNQCLSA-N 2 1 292.471 2.366 20 0 CEADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C(F)F)n1 ZINC000623657071 350076610 /nfs/dbraw/zinc/07/66/10/350076610.db2.gz JCZSWVZICYPVFG-LLVKDONJSA-N 2 1 286.370 2.179 20 0 CEADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C(F)F)n1 ZINC000623657071 350076613 /nfs/dbraw/zinc/07/66/13/350076613.db2.gz JCZSWVZICYPVFG-LLVKDONJSA-N 2 1 286.370 2.179 20 0 CEADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623538803 350044434 /nfs/dbraw/zinc/04/44/34/350044434.db2.gz VPVIVTFSIONMGE-GFCCVEGCSA-N 2 1 267.442 2.456 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2ccccc2[C@H]1CO ZINC000271215413 191006610 /nfs/dbraw/zinc/00/66/10/191006610.db2.gz IMVJALCOYQSXDW-NVXWUHKLSA-N 2 1 274.408 2.062 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2ccccc2[C@H]1CO ZINC000271215413 191006613 /nfs/dbraw/zinc/00/66/13/191006613.db2.gz IMVJALCOYQSXDW-NVXWUHKLSA-N 2 1 274.408 2.062 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000271215413 191006614 /nfs/dbraw/zinc/00/66/14/191006614.db2.gz IMVJALCOYQSXDW-NVXWUHKLSA-N 2 1 274.408 2.062 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2ccccc2[C@H]1CO ZINC000271215413 191006617 /nfs/dbraw/zinc/00/66/17/191006617.db2.gz IMVJALCOYQSXDW-NVXWUHKLSA-N 2 1 274.408 2.062 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000090962464 180077442 /nfs/dbraw/zinc/07/74/42/180077442.db2.gz HVBMBZLQASPKCC-CQSZACIVSA-N 2 1 275.396 2.076 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000090962464 180077445 /nfs/dbraw/zinc/07/74/45/180077445.db2.gz HVBMBZLQASPKCC-CQSZACIVSA-N 2 1 275.396 2.076 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCCO1 ZINC000623915640 350141654 /nfs/dbraw/zinc/14/16/54/350141654.db2.gz MEDNRYGOXQJNTQ-TWMKSMIVSA-N 2 1 298.471 2.423 20 0 CEADMP COC(=O)c1ccc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000271300525 191060811 /nfs/dbraw/zinc/06/08/11/191060811.db2.gz OMBOYHBFFSTIMO-MRXNPFEDSA-N 2 1 290.407 2.389 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000271300525 191060815 /nfs/dbraw/zinc/06/08/15/191060815.db2.gz OMBOYHBFFSTIMO-MRXNPFEDSA-N 2 1 290.407 2.389 20 0 CEADMP COC(=O)c1ccc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000271300525 191060817 /nfs/dbraw/zinc/06/08/17/191060817.db2.gz OMBOYHBFFSTIMO-MRXNPFEDSA-N 2 1 290.407 2.389 20 0 CEADMP COC(=O)c1ccc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000271300525 191060819 /nfs/dbraw/zinc/06/08/19/191060819.db2.gz OMBOYHBFFSTIMO-MRXNPFEDSA-N 2 1 290.407 2.389 20 0 CEADMP C[N@H+](CCC[NH2+]Cc1cn[nH]c1)C1CCCCC1 ZINC000624213320 350230801 /nfs/dbraw/zinc/23/08/01/350230801.db2.gz WFKALZGMMAXKPH-UHFFFAOYSA-N 2 1 250.390 2.154 20 0 CEADMP C[N@@H+](CCC[NH2+]Cc1cn[nH]c1)C1CCCCC1 ZINC000624213320 350230804 /nfs/dbraw/zinc/23/08/04/350230804.db2.gz WFKALZGMMAXKPH-UHFFFAOYSA-N 2 1 250.390 2.154 20 0 CEADMP CCn1nc(C)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1C ZINC000105442862 186056890 /nfs/dbraw/zinc/05/68/90/186056890.db2.gz SHWZHBVQHIPCHJ-LBPRGKRZSA-N 2 1 289.427 2.451 20 0 CEADMP CC[C@@H]1C[N@@H+](CCc2ccc(OC)cc2)CC[C@@H]1[NH3+] ZINC000147460449 539796778 /nfs/dbraw/zinc/79/67/78/539796778.db2.gz DZKURYXZMNYYOW-ZBFHGGJFSA-N 2 1 262.397 2.297 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@H](C[NH+](CC)CC)C1)C1CC1 ZINC000625200674 350427290 /nfs/dbraw/zinc/42/72/90/350427290.db2.gz RTAPUDYNAJMAOO-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1O ZINC000106868676 186144185 /nfs/dbraw/zinc/14/41/85/186144185.db2.gz NOLSRASIJDWHES-ZIAGYGMSSA-N 2 1 276.380 2.117 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1O ZINC000106868676 186144187 /nfs/dbraw/zinc/14/41/87/186144187.db2.gz NOLSRASIJDWHES-ZIAGYGMSSA-N 2 1 276.380 2.117 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000625450234 350502623 /nfs/dbraw/zinc/50/26/23/350502623.db2.gz LIFWPZADWMZZSE-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CCO[C@H](C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)C1CC1 ZINC000625450234 350502629 /nfs/dbraw/zinc/50/26/29/350502629.db2.gz LIFWPZADWMZZSE-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CCO[C@H](C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)C1CC1 ZINC000625450234 350502631 /nfs/dbraw/zinc/50/26/31/350502631.db2.gz LIFWPZADWMZZSE-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP Fc1ccccc1SCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574660 186179618 /nfs/dbraw/zinc/17/96/18/186179618.db2.gz WAXIPRWTWUXOIX-TXEJJXNPSA-N 2 1 266.385 2.069 20 0 CEADMP Fc1ccccc1SCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574660 186179620 /nfs/dbraw/zinc/17/96/20/186179620.db2.gz WAXIPRWTWUXOIX-TXEJJXNPSA-N 2 1 266.385 2.069 20 0 CEADMP CCN(CC)[C@@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000110370673 186294251 /nfs/dbraw/zinc/29/42/51/186294251.db2.gz PVWWORXFOQZIJJ-OAHLLOKOSA-N 2 1 255.450 2.312 20 0 CEADMP CCN(CC)[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000110370673 186294252 /nfs/dbraw/zinc/29/42/52/186294252.db2.gz PVWWORXFOQZIJJ-OAHLLOKOSA-N 2 1 255.450 2.312 20 0 CEADMP CCC(O)(CC)C[N@H+](C)CCCCn1cc[nH+]c1C ZINC000626111294 350656928 /nfs/dbraw/zinc/65/69/28/350656928.db2.gz KCFGDYSPMFDCOX-UHFFFAOYSA-N 2 1 267.417 2.455 20 0 CEADMP CCC(O)(CC)C[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000626111294 350656930 /nfs/dbraw/zinc/65/69/30/350656930.db2.gz KCFGDYSPMFDCOX-UHFFFAOYSA-N 2 1 267.417 2.455 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000130899688 366003456 /nfs/dbraw/zinc/00/34/56/366003456.db2.gz QSPRREOLNBFPGD-OLZOCXBDSA-N 2 1 278.396 2.354 20 0 CEADMP COC(=O)CCC[NH+]1CCC(Nc2cc(C)cc[nH+]2)CC1 ZINC000291183456 197945568 /nfs/dbraw/zinc/94/55/68/197945568.db2.gz LCOAHJCITRDMIK-UHFFFAOYSA-N 2 1 291.395 2.220 20 0 CEADMP CCC[NH+]1CCC([N@H+](C)CCc2ccccn2)CC1 ZINC000111240801 186374843 /nfs/dbraw/zinc/37/48/43/186374843.db2.gz VENVGWTUDLWDFT-UHFFFAOYSA-N 2 1 261.413 2.430 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCc2ccccn2)CC1 ZINC000111240801 186374845 /nfs/dbraw/zinc/37/48/45/186374845.db2.gz VENVGWTUDLWDFT-UHFFFAOYSA-N 2 1 261.413 2.430 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3n[nH]cc32)CC[N@@H+]1C ZINC000628183687 350994758 /nfs/dbraw/zinc/99/47/58/350994758.db2.gz KEEVHZVKHIMGLB-OCCSQVGLSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3n[nH]cc32)CC[N@H+]1C ZINC000628183687 350994761 /nfs/dbraw/zinc/99/47/61/350994761.db2.gz KEEVHZVKHIMGLB-OCCSQVGLSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3n[nH]cc32)CC[NH+]1C ZINC000628183687 350994762 /nfs/dbraw/zinc/99/47/62/350994762.db2.gz KEEVHZVKHIMGLB-OCCSQVGLSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3n[nH]cc32)CC[NH+]1C ZINC000628183687 350994765 /nfs/dbraw/zinc/99/47/65/350994765.db2.gz KEEVHZVKHIMGLB-OCCSQVGLSA-N 2 1 272.396 2.477 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CC=C(C)CC2)CC1 ZINC000551267259 313593089 /nfs/dbraw/zinc/59/30/89/313593089.db2.gz AJFIRHUXDZFQQG-CQSZACIVSA-N 2 1 252.402 2.186 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccncc1 ZINC000271432614 191133652 /nfs/dbraw/zinc/13/36/52/191133652.db2.gz BEYFXSRBXWBZBU-XKQJLSEDSA-N 2 1 289.423 2.110 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)C[NH2+]1 ZINC000629543330 351404925 /nfs/dbraw/zinc/40/49/25/351404925.db2.gz YRPQFUHSQUMEBU-BARDWOONSA-N 2 1 276.428 2.176 20 0 CEADMP CC[C@H]([NH2+][C@H]1COc2cccc(C)c2C1)[C@@H]1CCC[NH2+]1 ZINC000629515657 351385402 /nfs/dbraw/zinc/38/54/02/351385402.db2.gz VQRJVWBCHUWGRR-KBMXLJTQSA-N 2 1 274.408 2.419 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000629526832 351390993 /nfs/dbraw/zinc/39/09/93/351390993.db2.gz AQKDSHFRESVWCB-CWRNSKLLSA-N 2 1 274.408 2.283 20 0 CEADMP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000629528876 351392333 /nfs/dbraw/zinc/39/23/33/351392333.db2.gz LXZKQJVKIXHYNV-GASCZTMLSA-N 2 1 273.424 2.419 20 0 CEADMP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000629528876 351392336 /nfs/dbraw/zinc/39/23/36/351392336.db2.gz LXZKQJVKIXHYNV-GASCZTMLSA-N 2 1 273.424 2.419 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C[NH2+]1 ZINC000629396542 351349649 /nfs/dbraw/zinc/34/96/49/351349649.db2.gz MMYMPWQMQCWXMA-HIFRSBDPSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407236 351354540 /nfs/dbraw/zinc/35/45/40/351354540.db2.gz XVJSTXMILWLADG-MBNYWOFBSA-N 2 1 276.380 2.076 20 0 CEADMP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000629408517 351355015 /nfs/dbraw/zinc/35/50/15/351355015.db2.gz WGRZSGQINWSDDI-MXSMSXNCSA-N 2 1 287.451 2.380 20 0 CEADMP CCc1noc(C2CCC([NH2+][C@H]3CC[C@H](C)[NH2+]C3)CC2)n1 ZINC000629415788 351357395 /nfs/dbraw/zinc/35/73/95/351357395.db2.gz SGZUXAKHVORKPN-ABXWRUBCSA-N 2 1 292.427 2.388 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)C2 ZINC000629543315 351404250 /nfs/dbraw/zinc/40/42/50/351404250.db2.gz YLZKFEOBHWOFOV-AEGPPILISA-N 2 1 274.408 2.283 20 0 CEADMP Cc1ccc(-c2cc(C[N@@H+](C)CCOCC[NH3+])on2)cc1 ZINC000629579865 351420773 /nfs/dbraw/zinc/42/07/73/351420773.db2.gz WITQXGBVFMBHFS-UHFFFAOYSA-N 2 1 289.379 2.057 20 0 CEADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1C ZINC000070170460 363043222 /nfs/dbraw/zinc/04/32/22/363043222.db2.gz IYQZCYOLIWQRCH-HNNXBMFYSA-N 2 1 289.423 2.303 20 0 CEADMP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170804 363043785 /nfs/dbraw/zinc/04/37/85/363043785.db2.gz REVIZLMOZRBYKK-HZPDHXFCSA-N 2 1 297.487 2.378 20 0 CEADMP C[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271433253 191135661 /nfs/dbraw/zinc/13/56/61/191135661.db2.gz DLUXAMQMPYLYHX-FMKPAKJESA-N 2 1 262.397 2.010 20 0 CEADMP C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271433253 191135664 /nfs/dbraw/zinc/13/56/64/191135664.db2.gz DLUXAMQMPYLYHX-FMKPAKJESA-N 2 1 262.397 2.010 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)C2CCC(C)CC2)C1 ZINC000070174026 363047723 /nfs/dbraw/zinc/04/77/23/363047723.db2.gz RUENDNHORKUMDA-LVDPKSTMSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CCC(C)CC2)C1 ZINC000070174026 363047726 /nfs/dbraw/zinc/04/77/26/363047726.db2.gz RUENDNHORKUMDA-LVDPKSTMSA-N 2 1 295.471 2.083 20 0 CEADMP COc1cc(C)nc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000339822271 215352388 /nfs/dbraw/zinc/35/23/88/215352388.db2.gz POMBRUFGICDLHC-UHFFFAOYSA-N 2 1 277.412 2.172 20 0 CEADMP C[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000337133882 366033911 /nfs/dbraw/zinc/03/39/11/366033911.db2.gz BEMLTOBNPGAPKS-WMZOPIPTSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000337133882 366033918 /nfs/dbraw/zinc/03/39/18/366033918.db2.gz BEMLTOBNPGAPKS-WMZOPIPTSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000337133882 366033921 /nfs/dbraw/zinc/03/39/21/366033921.db2.gz BEMLTOBNPGAPKS-WMZOPIPTSA-N 2 1 288.435 2.355 20 0 CEADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1csc2ccccc12 ZINC000131407090 366050770 /nfs/dbraw/zinc/05/07/70/366050770.db2.gz CEFMWSXXWPUQTD-OAHLLOKOSA-N 2 1 278.421 2.304 20 0 CEADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1csc2ccccc12 ZINC000131407306 366050976 /nfs/dbraw/zinc/05/09/76/366050976.db2.gz CEFMWSXXWPUQTD-HNNXBMFYSA-N 2 1 278.421 2.304 20 0 CEADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)C(C)(C)C ZINC000630383167 351717522 /nfs/dbraw/zinc/71/75/22/351717522.db2.gz YNTUXDHOUPTMOT-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1F ZINC000131564936 366065973 /nfs/dbraw/zinc/06/59/73/366065973.db2.gz WVIUHNBZMAGBAA-CMPLNLGQSA-N 2 1 252.333 2.003 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1F ZINC000131564936 366065975 /nfs/dbraw/zinc/06/59/75/366065975.db2.gz WVIUHNBZMAGBAA-CMPLNLGQSA-N 2 1 252.333 2.003 20 0 CEADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000131432738 366054091 /nfs/dbraw/zinc/05/40/91/366054091.db2.gz FKFIMTZQPDGPDT-QGZVFWFLSA-N 2 1 278.440 2.386 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000131604570 366070291 /nfs/dbraw/zinc/07/02/91/366070291.db2.gz PPPCUODNDJRWQG-VXGBXAGGSA-N 2 1 295.814 2.338 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC000337199798 366071663 /nfs/dbraw/zinc/07/16/63/366071663.db2.gz ZDEKXIDJHFCKGR-IAGOWNOFSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)F)cc1 ZINC000131681031 366077251 /nfs/dbraw/zinc/07/72/51/366077251.db2.gz QLMNEYRAAJEJOK-PWSUYJOCSA-N 2 1 270.323 2.457 20 0 CEADMP C[C@@H]1C[C@H](N(C)C[C@H](O)c2ccc(F)cc2)CC[N@H+]1C ZINC000123326122 187084800 /nfs/dbraw/zinc/08/48/00/187084800.db2.gz PPCVVQZUPQMVNC-WQVCFCJDSA-N 2 1 280.387 2.274 20 0 CEADMP C[C@H]1C[C@H](N(C)C[C@H](O)c2ccc(F)cc2)CC[N@@H+]1C ZINC000123326336 187084868 /nfs/dbraw/zinc/08/48/68/187084868.db2.gz PPCVVQZUPQMVNC-MAZHCROVSA-N 2 1 280.387 2.274 20 0 CEADMP C[C@H]1C[C@H](N(C)C[C@H](O)c2ccc(F)cc2)CC[N@H+]1C ZINC000123326336 187084869 /nfs/dbraw/zinc/08/48/69/187084869.db2.gz PPCVVQZUPQMVNC-MAZHCROVSA-N 2 1 280.387 2.274 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCOCC(F)(F)F)CC[N@@H+]1C ZINC000123415265 187090446 /nfs/dbraw/zinc/09/04/46/187090446.db2.gz LSVFCUTYSWBURE-NEPJUHHUSA-N 2 1 282.350 2.370 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCOCC(F)(F)F)CC[N@H+]1C ZINC000123415265 187090447 /nfs/dbraw/zinc/09/04/47/187090447.db2.gz LSVFCUTYSWBURE-NEPJUHHUSA-N 2 1 282.350 2.370 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCCOCC(F)(F)F)CC[NH+]1C ZINC000123415265 187090448 /nfs/dbraw/zinc/09/04/48/187090448.db2.gz LSVFCUTYSWBURE-NEPJUHHUSA-N 2 1 282.350 2.370 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCOCC(F)(F)F)CC[NH+]1C ZINC000123415265 187090449 /nfs/dbraw/zinc/09/04/49/187090449.db2.gz LSVFCUTYSWBURE-NEPJUHHUSA-N 2 1 282.350 2.370 20 0 CEADMP COc1cncc(C[NH2+]CC(C)(C)C[NH+](C)C)c1C ZINC000631030063 351928596 /nfs/dbraw/zinc/92/85/96/351928596.db2.gz MEHBJLUKKLOXEE-UHFFFAOYSA-N 2 1 265.401 2.076 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(F)F)nc2)C1 ZINC000631044797 351935505 /nfs/dbraw/zinc/93/55/05/351935505.db2.gz NLMLLJPACTUIJM-GFCCVEGCSA-N 2 1 269.339 2.451 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(F)F)nc2)C1 ZINC000631044797 351935509 /nfs/dbraw/zinc/93/55/09/351935509.db2.gz NLMLLJPACTUIJM-GFCCVEGCSA-N 2 1 269.339 2.451 20 0 CEADMP CC(C)c1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000131465194 187568024 /nfs/dbraw/zinc/56/80/24/187568024.db2.gz WMGFRUQIEZBJLR-INIZCTEOSA-N 2 1 264.413 2.212 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000631196792 352011623 /nfs/dbraw/zinc/01/16/23/352011623.db2.gz AQOMZRISXVPILC-DZJNRPSUSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000631196792 352011625 /nfs/dbraw/zinc/01/16/25/352011625.db2.gz AQOMZRISXVPILC-DZJNRPSUSA-N 2 1 288.435 2.400 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)CC[N@H+]1C ZINC000631144663 351985130 /nfs/dbraw/zinc/98/51/30/351985130.db2.gz PHSSWSRABPBQSZ-XUWVNRHRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC[NH+]1C ZINC000631144663 351985132 /nfs/dbraw/zinc/98/51/32/351985132.db2.gz PHSSWSRABPBQSZ-XUWVNRHRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC[NH+]1C ZINC000631144663 351985134 /nfs/dbraw/zinc/98/51/34/351985134.db2.gz PHSSWSRABPBQSZ-XUWVNRHRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000631181194 352004527 /nfs/dbraw/zinc/00/45/27/352004527.db2.gz NCBMOXAZELESFL-MRXNPFEDSA-N 2 1 289.423 2.467 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000631181194 352004530 /nfs/dbraw/zinc/00/45/30/352004530.db2.gz NCBMOXAZELESFL-MRXNPFEDSA-N 2 1 289.423 2.467 20 0 CEADMP CC[NH+](CC)CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC000072794673 363166378 /nfs/dbraw/zinc/16/63/78/363166378.db2.gz ZVEYJPIODCGBOM-UHFFFAOYSA-N 2 1 294.443 2.245 20 0 CEADMP c1csc(C[NH+]2CCN(CC[NH+]3CCCCC3)CC2)c1 ZINC000072979838 363188284 /nfs/dbraw/zinc/18/82/84/363188284.db2.gz WKSNYOREAATLPG-UHFFFAOYSA-N 2 1 293.480 2.352 20 0 CEADMP c1ccc(COCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000309790418 539902394 /nfs/dbraw/zinc/90/23/94/539902394.db2.gz OPAHVVVQNBGOOJ-CALCHBBNSA-N 2 1 274.408 2.135 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(C)n1 ZINC000152413826 188017124 /nfs/dbraw/zinc/01/71/24/188017124.db2.gz HNJQUPSYAWRUKP-FZMZJTMJSA-N 2 1 274.412 2.228 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C)n1 ZINC000152413826 188017125 /nfs/dbraw/zinc/01/71/25/188017125.db2.gz HNJQUPSYAWRUKP-FZMZJTMJSA-N 2 1 274.412 2.228 20 0 CEADMP CC[C@H]1C[N@H+](CC(=O)N(CC)C2CCCCC2)CC[C@H]1[NH3+] ZINC000251563035 539978407 /nfs/dbraw/zinc/97/84/07/539978407.db2.gz BOOBJVXEOVGQHT-GOEBONIOSA-N 2 1 295.471 2.227 20 0 CEADMP CC[C@H]1C[N@@H+](CC(=O)N(CC)C2CCCCC2)CC[C@H]1[NH3+] ZINC000251563035 539978409 /nfs/dbraw/zinc/97/84/09/539978409.db2.gz BOOBJVXEOVGQHT-GOEBONIOSA-N 2 1 295.471 2.227 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOc2cccc(C)c2)CC[C@H]1[NH3+] ZINC000251699534 539989178 /nfs/dbraw/zinc/98/91/78/539989178.db2.gz IWQNFZYEEPWBHO-GDBMZVCRSA-N 2 1 262.397 2.433 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000155421752 188205791 /nfs/dbraw/zinc/20/57/91/188205791.db2.gz SNYDDPSVJRLJQM-WFASDCNBSA-N 2 1 275.396 2.217 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000155421752 188205793 /nfs/dbraw/zinc/20/57/93/188205793.db2.gz SNYDDPSVJRLJQM-WFASDCNBSA-N 2 1 275.396 2.217 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCCO)CCN1Cc1ccccc1 ZINC000156923409 188287914 /nfs/dbraw/zinc/28/79/14/188287914.db2.gz ATWFBYMTOQEELI-NVXWUHKLSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCO)CC[N@@H+]1Cc1ccccc1 ZINC000156923409 188287915 /nfs/dbraw/zinc/28/79/15/188287915.db2.gz ATWFBYMTOQEELI-NVXWUHKLSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCO)CC[N@H+]1Cc1ccccc1 ZINC000156923409 188287917 /nfs/dbraw/zinc/28/79/17/188287917.db2.gz ATWFBYMTOQEELI-NVXWUHKLSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCCO)CC[NH+]1Cc1ccccc1 ZINC000156923409 188287918 /nfs/dbraw/zinc/28/79/18/188287918.db2.gz ATWFBYMTOQEELI-NVXWUHKLSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCCO)CC[NH+]1Cc1ccccc1 ZINC000156923409 188287919 /nfs/dbraw/zinc/28/79/19/188287919.db2.gz ATWFBYMTOQEELI-NVXWUHKLSA-N 2 1 276.424 2.354 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CCn1cccn1 ZINC000158820234 188395470 /nfs/dbraw/zinc/39/54/70/188395470.db2.gz YEQHEZQXPVDMHN-KGLIPLIRSA-N 2 1 275.400 2.093 20 0 CEADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000337310585 366139382 /nfs/dbraw/zinc/13/93/82/366139382.db2.gz WCQMCGIAWXLFMR-WMLDXEAASA-N 2 1 292.423 2.142 20 0 CEADMP O[C@@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)C[NH+]1CCCC1 ZINC000271728084 191293242 /nfs/dbraw/zinc/29/32/42/191293242.db2.gz RSAHUBSMCABWPT-DOTOQJQBSA-N 2 1 292.398 2.249 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000133479794 366228038 /nfs/dbraw/zinc/22/80/38/366228038.db2.gz KLHRDLXOUFBCCD-UHFFFAOYSA-N 2 1 284.201 2.015 20 0 CEADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000569817532 299220941 /nfs/dbraw/zinc/22/09/41/299220941.db2.gz OQIAXCOPBBUWIU-MRXNPFEDSA-N 2 1 296.418 2.435 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000569928378 299227066 /nfs/dbraw/zinc/22/70/66/299227066.db2.gz NNRIZIJNVVIQPP-UTUOFQBUSA-N 2 1 264.394 2.009 20 0 CEADMP COc1c(C)cc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1C ZINC000258924617 540118653 /nfs/dbraw/zinc/11/86/53/540118653.db2.gz OTQMAFCUFKFBMF-CQSZACIVSA-N 2 1 262.397 2.353 20 0 CEADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379651442 540119161 /nfs/dbraw/zinc/11/91/61/540119161.db2.gz UMBLPJZWWQTQGH-DJIMGWMZSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379651442 540119164 /nfs/dbraw/zinc/11/91/64/540119164.db2.gz UMBLPJZWWQTQGH-DJIMGWMZSA-N 2 1 276.424 2.400 20 0 CEADMP c1cc(CNC[C@H]2CC[N@H+](C3CC3)C2)nc2c1CCC2 ZINC000569932751 299227697 /nfs/dbraw/zinc/22/76/97/299227697.db2.gz ZXTIAWMQPCGMGO-CYBMUJFWSA-N 2 1 271.408 2.144 20 0 CEADMP c1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)nc2c1CCC2 ZINC000569932751 299227700 /nfs/dbraw/zinc/22/77/00/299227700.db2.gz ZXTIAWMQPCGMGO-CYBMUJFWSA-N 2 1 271.408 2.144 20 0 CEADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)nc2c1CCC2 ZINC000569932751 299227702 /nfs/dbraw/zinc/22/77/02/299227702.db2.gz ZXTIAWMQPCGMGO-CYBMUJFWSA-N 2 1 271.408 2.144 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC000271869199 191379568 /nfs/dbraw/zinc/37/95/68/191379568.db2.gz KESPYJYVCLYTBD-UHFFFAOYSA-N 2 1 270.298 2.455 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCC[C@H]2CCOC2)CC[N@@H+]1C ZINC000682673011 540134383 /nfs/dbraw/zinc/13/43/83/540134383.db2.gz LPVJRTTXAFZYPZ-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCC[C@H]2CCOC2)CC[N@H+]1C ZINC000682673011 540134387 /nfs/dbraw/zinc/13/43/87/540134387.db2.gz LPVJRTTXAFZYPZ-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCC[C@H]2CCOC2)CC[NH+]1C ZINC000682673011 540134389 /nfs/dbraw/zinc/13/43/89/540134389.db2.gz LPVJRTTXAFZYPZ-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC[C@H]2CCOC2)CC[NH+]1C ZINC000682673011 540134392 /nfs/dbraw/zinc/13/43/92/540134392.db2.gz LPVJRTTXAFZYPZ-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP CCO[C@@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000452036621 283166408 /nfs/dbraw/zinc/16/64/08/283166408.db2.gz RIOKBQAXTCEKIE-ZIAGYGMSSA-N 2 1 251.374 2.129 20 0 CEADMP COC[C@H]1CCCC[N@H+]1CCC[NH+]1CCCC[C@H]1COC ZINC000452046742 283170827 /nfs/dbraw/zinc/17/08/27/283170827.db2.gz YXMZFUWTJSMNIS-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP COC[C@H]1CCCC[NH+]1CCC[N@@H+]1CCCC[C@H]1COC ZINC000452046742 283170828 /nfs/dbraw/zinc/17/08/28/283170828.db2.gz YXMZFUWTJSMNIS-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP COC[C@H]1CCCC[NH+]1CCC[N@H+]1CCCC[C@H]1COC ZINC000452046742 283170830 /nfs/dbraw/zinc/17/08/30/283170830.db2.gz YXMZFUWTJSMNIS-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC[NH3+])CC1 ZINC000414708020 540245313 /nfs/dbraw/zinc/24/53/13/540245313.db2.gz OLTFSMOJVABGAP-HNNXBMFYSA-N 3 1 267.461 2.312 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](OC)C2)C1 ZINC000684371369 540253754 /nfs/dbraw/zinc/25/37/54/540253754.db2.gz DHPWPTVOBAXSLJ-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP CCC[C@@]1(C)CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338313506 366289220 /nfs/dbraw/zinc/28/92/20/366289220.db2.gz KRKPSQFSPZZVRZ-KRWDZBQOSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[C@@]1(C)CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338313506 366289224 /nfs/dbraw/zinc/28/92/24/366289224.db2.gz KRKPSQFSPZZVRZ-KRWDZBQOSA-N 2 1 295.471 2.053 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H](O)C1CCCCC1 ZINC000452094382 283185014 /nfs/dbraw/zinc/18/50/14/283185014.db2.gz IPKNOHZMDDZLBF-HNNXBMFYSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(N)=O)cc1 ZINC000075860853 363493232 /nfs/dbraw/zinc/49/32/32/363493232.db2.gz CGBOYNFIJQCLQT-INIZCTEOSA-N 2 1 289.423 2.092 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C(N)=O)cc1 ZINC000075860853 363493239 /nfs/dbraw/zinc/49/32/39/363493239.db2.gz CGBOYNFIJQCLQT-INIZCTEOSA-N 2 1 289.423 2.092 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C(N)=O)cc1 ZINC000075860853 363493244 /nfs/dbraw/zinc/49/32/44/363493244.db2.gz CGBOYNFIJQCLQT-INIZCTEOSA-N 2 1 289.423 2.092 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C(N)=O)cc1 ZINC000075860853 363493251 /nfs/dbraw/zinc/49/32/51/363493251.db2.gz CGBOYNFIJQCLQT-INIZCTEOSA-N 2 1 289.423 2.092 20 0 CEADMP CC(C)OC(=O)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075859892 363494119 /nfs/dbraw/zinc/49/41/19/363494119.db2.gz BTQGKDCOWXSYHZ-CQSZACIVSA-N 2 1 270.417 2.134 20 0 CEADMP CC(C)OC(=O)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075859892 363494125 /nfs/dbraw/zinc/49/41/25/363494125.db2.gz BTQGKDCOWXSYHZ-CQSZACIVSA-N 2 1 270.417 2.134 20 0 CEADMP CC(C)OC(=O)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075859892 363494133 /nfs/dbraw/zinc/49/41/33/363494133.db2.gz BTQGKDCOWXSYHZ-CQSZACIVSA-N 2 1 270.417 2.134 20 0 CEADMP c1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668225343 538742540 /nfs/dbraw/zinc/74/25/40/538742540.db2.gz KLNAARFLGIPOAP-QGZVFWFLSA-N 2 1 298.390 2.270 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668225343 538742550 /nfs/dbraw/zinc/74/25/50/538742550.db2.gz KLNAARFLGIPOAP-QGZVFWFLSA-N 2 1 298.390 2.270 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC3CCOCC3)C2)C1 ZINC000336314416 213156440 /nfs/dbraw/zinc/15/64/40/213156440.db2.gz SKUHYOPHZXYVAY-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC3CCOCC3)C2)C1 ZINC000336314416 213156441 /nfs/dbraw/zinc/15/64/41/213156441.db2.gz SKUHYOPHZXYVAY-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC3CCOCC3)C2)C1 ZINC000336314416 213156444 /nfs/dbraw/zinc/15/64/44/213156444.db2.gz SKUHYOPHZXYVAY-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000079121744 363580473 /nfs/dbraw/zinc/58/04/73/363580473.db2.gz NGTZYAVDAIDGMH-UHFFFAOYSA-N 2 1 299.418 2.492 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000570507834 299260168 /nfs/dbraw/zinc/26/01/68/299260168.db2.gz DOZIFTHNJBFETQ-CMPLNLGQSA-N 2 1 264.398 2.003 20 0 CEADMP CCCN(CC[C@H]1CCC[N@H+]1C)CC[NH+]1CCCC1 ZINC000352888191 283267757 /nfs/dbraw/zinc/26/77/57/283267757.db2.gz NCAXMVSAFPNPLP-MRXNPFEDSA-N 2 1 267.461 2.279 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000336263925 213101481 /nfs/dbraw/zinc/10/14/81/213101481.db2.gz JFQVUTCNZAVHNG-OKILXGFUSA-N 2 1 264.800 2.376 20 0 CEADMP C[C@H](C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)C(C)(C)C ZINC000670267783 540261366 /nfs/dbraw/zinc/26/13/66/540261366.db2.gz UEYHWVYCXADWJG-CABCVRRESA-N 2 1 270.461 2.495 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000306729536 540298322 /nfs/dbraw/zinc/29/83/22/540298322.db2.gz DDCWJVVVXSNBGZ-BRWVUGGUSA-N 2 1 274.408 2.405 20 0 CEADMP C[C@H](NCC[N@H+]1CCCC(C)(C)C1)c1ncc[nH]1 ZINC000353597861 540317556 /nfs/dbraw/zinc/31/75/56/540317556.db2.gz URUNAXNSXFDAJV-LBPRGKRZSA-N 2 1 250.390 2.182 20 0 CEADMP C[C@H]([NH2+]CCN1CCCC(C)(C)C1)c1ncc[nH]1 ZINC000353597861 540317560 /nfs/dbraw/zinc/31/75/60/540317560.db2.gz URUNAXNSXFDAJV-LBPRGKRZSA-N 2 1 250.390 2.182 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@](C)(CO)Cc1ccccc1 ZINC000357791470 540368422 /nfs/dbraw/zinc/36/84/22/540368422.db2.gz OFNUAKZTJYGFCU-BPQIPLTHSA-N 2 1 290.451 2.158 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000358708130 540375437 /nfs/dbraw/zinc/37/54/37/540375437.db2.gz ASGAHCNISIVWCL-CYBMUJFWSA-N 2 1 296.484 2.432 20 0 CEADMP COc1ccccc1OCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157994212 540376544 /nfs/dbraw/zinc/37/65/44/540376544.db2.gz AZJGGXAUCHFAOY-LSDHHAIUSA-N 2 1 290.407 2.290 20 0 CEADMP CCc1nc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000166453241 540388548 /nfs/dbraw/zinc/38/85/48/540388548.db2.gz RVXOOKBBOHONIV-TZMCWYRMSA-N 2 1 279.453 2.464 20 0 CEADMP [NH3+]CCC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000414743345 236464535 /nfs/dbraw/zinc/46/45/35/236464535.db2.gz IPRJLOQOACZEEW-UHFFFAOYSA-N 2 1 282.334 2.208 20 0 CEADMP C[N@@H+](C[C@H](O)CN[C@H]1CCCc2c(F)cccc21)C1CC1 ZINC000577722592 366388197 /nfs/dbraw/zinc/38/81/97/366388197.db2.gz VICUNJOHHKGPER-DYVFJYSZSA-N 2 1 292.398 2.248 20 0 CEADMP CN(C[C@H](O)C[NH2+][C@H]1CCCc2c(F)cccc21)C1CC1 ZINC000577722592 366388200 /nfs/dbraw/zinc/38/82/00/366388200.db2.gz VICUNJOHHKGPER-DYVFJYSZSA-N 2 1 292.398 2.248 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000294839316 199206223 /nfs/dbraw/zinc/20/62/23/199206223.db2.gz SZLBRFXEKDHXMN-OAHLLOKOSA-N 2 1 291.439 2.013 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)C(=O)OC)[C@H](C)C1 ZINC000338568045 366416995 /nfs/dbraw/zinc/41/69/95/366416995.db2.gz MDMCZLSWLJCFSG-KGLIPLIRSA-N 2 1 284.444 2.238 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(C)(C)C(=O)OC)[C@H](C)C1 ZINC000338568045 366417000 /nfs/dbraw/zinc/41/70/00/366417000.db2.gz MDMCZLSWLJCFSG-KGLIPLIRSA-N 2 1 284.444 2.238 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(C)(C)C(=O)OC)[C@H](C)C1 ZINC000338568045 366417004 /nfs/dbraw/zinc/41/70/04/366417004.db2.gz MDMCZLSWLJCFSG-KGLIPLIRSA-N 2 1 284.444 2.238 20 0 CEADMP Cc1ncncc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000578026419 366433131 /nfs/dbraw/zinc/43/31/31/366433131.db2.gz SUQDXTDYXMAXRG-GFCCVEGCSA-N 2 1 262.401 2.310 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1F ZINC000414980912 236584940 /nfs/dbraw/zinc/58/49/40/236584940.db2.gz XHWBJEQUOLFTJV-CQSZACIVSA-N 2 1 266.360 2.312 20 0 CEADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccnn1C ZINC000193287462 299280287 /nfs/dbraw/zinc/28/02/87/299280287.db2.gz QRYRQUUXYMIZJI-ZDUSSCGKSA-N 2 1 264.417 2.193 20 0 CEADMP CCCc1nc(C)c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000578206323 366459961 /nfs/dbraw/zinc/45/99/61/366459961.db2.gz PAAMPJMXWYCXBW-RYUDHWBXSA-N 2 1 251.374 2.295 20 0 CEADMP COC(CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000136776470 366525825 /nfs/dbraw/zinc/52/58/25/366525825.db2.gz PVJSMFFJKKYZGZ-MRXNPFEDSA-N 2 1 292.423 2.059 20 0 CEADMP COC(C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)OC ZINC000136776470 366525830 /nfs/dbraw/zinc/52/58/30/366525830.db2.gz PVJSMFFJKKYZGZ-MRXNPFEDSA-N 2 1 292.423 2.059 20 0 CEADMP COC(C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)OC ZINC000136776470 366525832 /nfs/dbraw/zinc/52/58/32/366525832.db2.gz PVJSMFFJKKYZGZ-MRXNPFEDSA-N 2 1 292.423 2.059 20 0 CEADMP COC(C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000136776470 366525834 /nfs/dbraw/zinc/52/58/34/366525834.db2.gz PVJSMFFJKKYZGZ-MRXNPFEDSA-N 2 1 292.423 2.059 20 0 CEADMP COC(C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000136776470 366525840 /nfs/dbraw/zinc/52/58/40/366525840.db2.gz PVJSMFFJKKYZGZ-MRXNPFEDSA-N 2 1 292.423 2.059 20 0 CEADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000496844774 291176139 /nfs/dbraw/zinc/17/61/39/291176139.db2.gz HNBRXSZJFNSKCI-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCCNC(=O)OC(C)(C)C ZINC000496844774 291176142 /nfs/dbraw/zinc/17/61/42/291176142.db2.gz HNBRXSZJFNSKCI-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCCNC(=O)OC(C)(C)C ZINC000496844774 291176145 /nfs/dbraw/zinc/17/61/45/291176145.db2.gz HNBRXSZJFNSKCI-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000496844774 291176149 /nfs/dbraw/zinc/17/61/49/291176149.db2.gz HNBRXSZJFNSKCI-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000496844774 291176151 /nfs/dbraw/zinc/17/61/51/291176151.db2.gz HNBRXSZJFNSKCI-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(CO)cc2)[C@H]2CCC[C@@H]21 ZINC000671755370 540502150 /nfs/dbraw/zinc/50/21/50/540502150.db2.gz URIHCAHIZSUAEQ-SQNIBIBYSA-N 2 1 288.435 2.184 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCCC1)C[C@H]1CCOC1 ZINC000682028001 540487129 /nfs/dbraw/zinc/48/71/29/540487129.db2.gz OVKXKUJMJLZCPE-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP c1cc(C[N@@H+]2CCC3(C2)CCOCC3)n(-c2cc[nH+]cc2)n1 ZINC000667689845 540520855 /nfs/dbraw/zinc/52/08/55/540520855.db2.gz JNWNHMCSRRRRDO-UHFFFAOYSA-N 2 1 298.390 2.270 20 0 CEADMP c1cc(C[N@H+]2CCC3(C2)CCOCC3)n(-c2cc[nH+]cc2)n1 ZINC000667689845 540520859 /nfs/dbraw/zinc/52/08/59/540520859.db2.gz JNWNHMCSRRRRDO-UHFFFAOYSA-N 2 1 298.390 2.270 20 0 CEADMP CCn1c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)nc2ccccc21 ZINC000666852256 540508968 /nfs/dbraw/zinc/50/89/68/540508968.db2.gz VELIUVQSKICUER-STQMWFEESA-N 2 1 272.396 2.416 20 0 CEADMP COc1cc2c(c(C[NH2+][C@@H]3CCC[NH2+]CC3)c1)O[C@H](C)C2 ZINC000666855350 540510045 /nfs/dbraw/zinc/51/00/45/540510045.db2.gz NQWCDTUMLKXSNI-IUODEOHRSA-N 2 1 290.407 2.250 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667868589 540525533 /nfs/dbraw/zinc/52/55/33/540525533.db2.gz AUGXMDWYYRHOCM-UGUYLWEFSA-N 2 1 266.429 2.002 20 0 CEADMP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000668158789 540575064 /nfs/dbraw/zinc/57/50/64/540575064.db2.gz ABGIILUINPCJHG-DLBZAZTESA-N 2 1 298.471 2.138 20 0 CEADMP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000668158790 540575145 /nfs/dbraw/zinc/57/51/45/540575145.db2.gz ABGIILUINPCJHG-IAGOWNOFSA-N 2 1 298.471 2.138 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCCNC(=O)OC(C)(C)C ZINC000496996732 291190478 /nfs/dbraw/zinc/19/04/78/291190478.db2.gz UDIHUPMSFIOMMN-AWEZNQCLSA-N 2 1 299.459 2.365 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CCCNC(=O)OC(C)(C)C ZINC000496996732 291190481 /nfs/dbraw/zinc/19/04/81/291190481.db2.gz UDIHUPMSFIOMMN-AWEZNQCLSA-N 2 1 299.459 2.365 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000578717324 366535865 /nfs/dbraw/zinc/53/58/65/366535865.db2.gz CNPJBPBEURJNAZ-ZWKOTPCHSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000578717324 366535874 /nfs/dbraw/zinc/53/58/74/366535874.db2.gz CNPJBPBEURJNAZ-ZWKOTPCHSA-N 2 1 290.451 2.396 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000336263925 213101483 /nfs/dbraw/zinc/10/14/83/213101483.db2.gz JFQVUTCNZAVHNG-OKILXGFUSA-N 2 1 264.800 2.376 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000336263925 213101485 /nfs/dbraw/zinc/10/14/85/213101485.db2.gz JFQVUTCNZAVHNG-OKILXGFUSA-N 2 1 264.800 2.376 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)c1ccc(F)cc1)C1CC1 ZINC000571158066 299296650 /nfs/dbraw/zinc/29/66/50/299296650.db2.gz UBMGKQYHOVJJPS-MRXNPFEDSA-N 2 1 294.414 2.148 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)c1ccc(F)cc1)C1CC1 ZINC000571158066 299296652 /nfs/dbraw/zinc/29/66/52/299296652.db2.gz UBMGKQYHOVJJPS-MRXNPFEDSA-N 2 1 294.414 2.148 20 0 CEADMP CN(CCC[N@@H+](C)Cc1ncccc1O)Cc1ccco1 ZINC000578819332 366551485 /nfs/dbraw/zinc/55/14/85/366551485.db2.gz LOUWMSGFPNVZDE-UHFFFAOYSA-N 2 1 289.379 2.334 20 0 CEADMP CCO[C@H]1C[C@H]([N@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000579022570 366583427 /nfs/dbraw/zinc/58/34/27/366583427.db2.gz FPNFBPHKQLMAGJ-GJZGRUSLSA-N 2 1 279.428 2.488 20 0 CEADMP CCO[C@H]1C[C@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000579022570 366583434 /nfs/dbraw/zinc/58/34/34/366583434.db2.gz FPNFBPHKQLMAGJ-GJZGRUSLSA-N 2 1 279.428 2.488 20 0 CEADMP CCc1nc(NCCC[NH2+]C2CCCCC2)cc(C)[nH+]1 ZINC000341746853 216088811 /nfs/dbraw/zinc/08/88/11/216088811.db2.gz YUEBSNDXQTUGAK-UHFFFAOYSA-N 2 1 276.428 2.494 20 0 CEADMP Cc1ncncc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000578906469 366565651 /nfs/dbraw/zinc/56/56/51/366565651.db2.gz MNMOZXXKEYQWRD-CYBMUJFWSA-N 2 1 262.401 2.312 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000578903307 366565922 /nfs/dbraw/zinc/56/59/22/366565922.db2.gz CUEBOXVCSISSDK-WBVHZDCISA-N 2 1 294.414 2.487 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000578903307 366565925 /nfs/dbraw/zinc/56/59/25/366565925.db2.gz CUEBOXVCSISSDK-WBVHZDCISA-N 2 1 294.414 2.487 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(O)ccc1Br ZINC000579008930 366580061 /nfs/dbraw/zinc/58/00/61/366580061.db2.gz HAEHIJRCRMXIGK-RKDXNWHRSA-N 2 1 287.201 2.370 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@H]1CCCCC[NH2+]1)C1CCCCC1 ZINC000080997105 363695205 /nfs/dbraw/zinc/69/52/05/363695205.db2.gz OEKMDAPUPAKRMV-MRXNPFEDSA-N 2 1 295.471 2.289 20 0 CEADMP C[C@@H]1C[C@@H](NCC[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000151026691 366614000 /nfs/dbraw/zinc/61/40/00/366614000.db2.gz QZOJRYTXNBMMHF-WBVHZDCISA-N 2 1 275.440 2.191 20 0 CEADMP C[C@@H]1C[C@@H](NCC[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000151026691 366614004 /nfs/dbraw/zinc/61/40/04/366614004.db2.gz QZOJRYTXNBMMHF-WBVHZDCISA-N 2 1 275.440 2.191 20 0 CEADMP C[C@@H]1C[C@@H](NCC[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000151026691 366614005 /nfs/dbraw/zinc/61/40/05/366614005.db2.gz QZOJRYTXNBMMHF-WBVHZDCISA-N 2 1 275.440 2.191 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000151026691 366614008 /nfs/dbraw/zinc/61/40/08/366614008.db2.gz QZOJRYTXNBMMHF-WBVHZDCISA-N 2 1 275.440 2.191 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCN(C)Cc2ccccc2)CC[N@H+]1C ZINC000151026691 366614010 /nfs/dbraw/zinc/61/40/10/366614010.db2.gz QZOJRYTXNBMMHF-WBVHZDCISA-N 2 1 275.440 2.191 20 0 CEADMP COC[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000177284778 189041727 /nfs/dbraw/zinc/04/17/27/189041727.db2.gz IHMOVSJTGPCPJY-OAHLLOKOSA-N 2 1 286.379 2.126 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000675748280 540870886 /nfs/dbraw/zinc/87/08/86/540870886.db2.gz VGFSBNZWGCWXMW-OWCLPIDISA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000675748280 540870891 /nfs/dbraw/zinc/87/08/91/540870891.db2.gz VGFSBNZWGCWXMW-OWCLPIDISA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000675749111 540870966 /nfs/dbraw/zinc/87/09/66/540870966.db2.gz QTRZUWYKSJPZHM-QLFBSQMISA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000675749111 540870971 /nfs/dbraw/zinc/87/09/71/540870971.db2.gz QTRZUWYKSJPZHM-QLFBSQMISA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H](CC1CCC1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000675821067 540876428 /nfs/dbraw/zinc/87/64/28/540876428.db2.gz CLBKCLDMVFJSAI-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1OC ZINC000579837690 366711808 /nfs/dbraw/zinc/71/18/08/366711808.db2.gz MKHWQNRIKZDOMX-QGZVFWFLSA-N 2 1 290.407 2.279 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1OC ZINC000579837690 366711815 /nfs/dbraw/zinc/71/18/15/366711815.db2.gz MKHWQNRIKZDOMX-QGZVFWFLSA-N 2 1 290.407 2.279 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1)C1CC1 ZINC000580064401 366743848 /nfs/dbraw/zinc/74/38/48/366743848.db2.gz BIAZSJBIXFDJSI-KRWDZBQOSA-N 2 1 294.414 2.193 20 0 CEADMP CCC[N@@H+](Cc1ccc(F)cc1)C[C@@](C)(O)C[NH2+]C ZINC000579961041 366730533 /nfs/dbraw/zinc/73/05/33/366730533.db2.gz ZQTPJJQVAHUVTD-HNNXBMFYSA-N 2 1 268.376 2.008 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C1CC(n2cccn2)C1 ZINC000638675236 370677937 /nfs/dbraw/zinc/67/79/37/370677937.db2.gz QYYUCPNYSXFKSP-UHFFFAOYSA-N 2 1 273.384 2.162 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(C[NH3+])cc1 ZINC000237077376 370687729 /nfs/dbraw/zinc/68/77/29/370687729.db2.gz NMAOGYRXHBMRLT-MRXNPFEDSA-N 2 1 289.423 2.092 20 0 CEADMP COc1cc2c(cc1OC)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000011953439 361370422 /nfs/dbraw/zinc/37/04/22/361370422.db2.gz OQFDXNQGUSOSNG-UHFFFAOYSA-N 2 1 290.407 2.062 20 0 CEADMP COc1cccc(CCC[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000011888550 361367211 /nfs/dbraw/zinc/36/72/11/361367211.db2.gz NOGUXXJBEDUZIE-OAHLLOKOSA-N 2 1 262.397 2.299 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC000182822811 189336088 /nfs/dbraw/zinc/33/60/88/189336088.db2.gz MAJUSDNCRAKDMY-KRWDZBQOSA-N 2 1 276.424 2.343 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC000182822811 189336089 /nfs/dbraw/zinc/33/60/89/189336089.db2.gz MAJUSDNCRAKDMY-KRWDZBQOSA-N 2 1 276.424 2.343 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000182822811 189336090 /nfs/dbraw/zinc/33/60/90/189336090.db2.gz MAJUSDNCRAKDMY-KRWDZBQOSA-N 2 1 276.424 2.343 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000182822811 189336091 /nfs/dbraw/zinc/33/60/91/189336091.db2.gz MAJUSDNCRAKDMY-KRWDZBQOSA-N 2 1 276.424 2.343 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000340206032 366803228 /nfs/dbraw/zinc/80/32/28/366803228.db2.gz LCTWLXNRFMAJFH-HOTGVXAUSA-N 2 1 295.471 2.147 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000340206034 366803718 /nfs/dbraw/zinc/80/37/18/366803718.db2.gz LCTWLXNRFMAJFH-HZPDHXFCSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2cccnc2)CC1 ZINC000678170258 541090429 /nfs/dbraw/zinc/09/04/29/541090429.db2.gz JOCNQEGRDMMNIX-UHFFFAOYSA-N 2 1 270.380 2.466 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000019958695 361570505 /nfs/dbraw/zinc/57/05/05/361570505.db2.gz AYZYAKAPDGQHBC-NSHDSACASA-N 2 1 250.342 2.018 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2)CCN1C ZINC000678547120 541148083 /nfs/dbraw/zinc/14/80/83/541148083.db2.gz AWCMOQBVYFAVID-UGFHNGPFSA-N 2 1 282.815 2.446 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000678640856 541162199 /nfs/dbraw/zinc/16/21/99/541162199.db2.gz UPJFQRQFLVYLQC-JKSUJKDBSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000678640856 541162203 /nfs/dbraw/zinc/16/22/03/541162203.db2.gz UPJFQRQFLVYLQC-JKSUJKDBSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1nccc([C@@H]2CCC[N@@H+](CCCn3ccnc3)C2)n1 ZINC000678883670 541187824 /nfs/dbraw/zinc/18/78/24/541187824.db2.gz OQQMLEDXSYSEGN-OAHLLOKOSA-N 2 1 285.395 2.251 20 0 CEADMP C[C@@H](CCCCO)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000679329698 541256414 /nfs/dbraw/zinc/25/64/14/541256414.db2.gz RDSMSKPVDYDQLF-AWEZNQCLSA-N 2 1 256.434 2.392 20 0 CEADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000086727166 363839149 /nfs/dbraw/zinc/83/91/49/363839149.db2.gz BMVBGIJUIAATJE-MFKMUULPSA-N 2 1 283.213 2.332 20 0 CEADMP COCc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000088553532 363906056 /nfs/dbraw/zinc/90/60/56/363906056.db2.gz MJTUXUXFBBLECQ-INIZCTEOSA-N 2 1 274.408 2.407 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679676915 541307386 /nfs/dbraw/zinc/30/73/86/541307386.db2.gz PMSZDWMFLIOQGJ-LBPRGKRZSA-N 2 1 273.327 2.285 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000679676915 541307391 /nfs/dbraw/zinc/30/73/91/541307391.db2.gz PMSZDWMFLIOQGJ-LBPRGKRZSA-N 2 1 273.327 2.285 20 0 CEADMP Cc1ncsc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000088869676 363927478 /nfs/dbraw/zinc/92/74/78/363927478.db2.gz VJGDCBAFDYAXBY-LLVKDONJSA-N 2 1 251.399 2.025 20 0 CEADMP Cc1ncsc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000088869676 363927483 /nfs/dbraw/zinc/92/74/83/363927483.db2.gz VJGDCBAFDYAXBY-LLVKDONJSA-N 2 1 251.399 2.025 20 0 CEADMP CC[C@@H](C)C[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000093061533 364135517 /nfs/dbraw/zinc/13/55/17/364135517.db2.gz HUCWZKWPRPKHSK-OAHLLOKOSA-N 2 1 255.450 2.040 20 0 CEADMP C[N@H+](Cc1ccc([S@@](C)=O)cc1)CC1CC[NH+](C)CC1 ZINC000093089279 364140022 /nfs/dbraw/zinc/14/00/22/364140022.db2.gz FIMYFNIHIVUSJS-FQEVSTJZSA-N 2 1 294.464 2.198 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000237585401 370734534 /nfs/dbraw/zinc/73/45/34/370734534.db2.gz HLXAMBCWYDMEAE-FVQBIDKESA-N 2 1 289.423 2.018 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000237648572 370741273 /nfs/dbraw/zinc/74/12/73/370741273.db2.gz RXHNUVYNGOYEME-CHWSQXEVSA-N 2 1 299.378 2.032 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCCN(C(C)(C)C)CC2)CC[NH2+]1 ZINC000334837875 364275509 /nfs/dbraw/zinc/27/55/09/364275509.db2.gz CRMQRUCQSWWSPW-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@H](CN2CCC[N@@H+](C(C)(C)C)CC2)CC[NH2+]1 ZINC000334837875 364275510 /nfs/dbraw/zinc/27/55/10/364275510.db2.gz CRMQRUCQSWWSPW-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@H](CN2CCC[N@H+](C(C)(C)C)CC2)CC[NH2+]1 ZINC000334837875 364275513 /nfs/dbraw/zinc/27/55/13/364275513.db2.gz CRMQRUCQSWWSPW-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP c1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)on1 ZINC000334994697 364323502 /nfs/dbraw/zinc/32/35/02/364323502.db2.gz ZHTGJVBMFMAJRM-IUODEOHRSA-N 2 1 261.369 2.123 20 0 CEADMP c1ncc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000334868886 364280069 /nfs/dbraw/zinc/28/00/69/364280069.db2.gz MWIUXPKAJCREOD-YPMHNXCESA-N 2 1 251.399 2.107 20 0 CEADMP c1ncc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000334868886 364280075 /nfs/dbraw/zinc/28/00/75/364280075.db2.gz MWIUXPKAJCREOD-YPMHNXCESA-N 2 1 251.399 2.107 20 0 CEADMP CC(C)CC[N@@H+](CCN1CC[NH2+]CC1)C1CCCC1 ZINC000094848935 364303458 /nfs/dbraw/zinc/30/34/58/364303458.db2.gz AHOMRMUVSBLOHY-UHFFFAOYSA-N 2 1 267.461 2.182 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CC[S@@](=O)C(C)(C)CC1 ZINC000335039449 364387450 /nfs/dbraw/zinc/38/74/50/364387450.db2.gz DRWKNJTYYVGBAU-IFXJQAMLSA-N 2 1 286.485 2.094 20 0 CEADMP C[C@@H]1C[C@H](NCC2([NH3+])CCCCCC2)CC[N@H+]1C ZINC000335057490 364412094 /nfs/dbraw/zinc/41/20/94/364412094.db2.gz DFYKWQGKOSUCKO-ZIAGYGMSSA-N 3 1 253.434 2.110 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)CCOc1ccccc1 ZINC000582011267 366849687 /nfs/dbraw/zinc/84/96/87/366849687.db2.gz WBHZWMKDIWQVTB-UHFFFAOYSA-N 2 1 273.380 2.364 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCOc1ccccc1 ZINC000582011267 366849690 /nfs/dbraw/zinc/84/96/90/366849690.db2.gz WBHZWMKDIWQVTB-UHFFFAOYSA-N 2 1 273.380 2.364 20 0 CEADMP CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000104350208 364694716 /nfs/dbraw/zinc/69/47/16/364694716.db2.gz FRYDFMHJDKMDLV-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CC1 ZINC000111403405 364734234 /nfs/dbraw/zinc/73/42/34/364734234.db2.gz SVFHYHBNHGBPCC-UHFFFAOYSA-N 2 1 252.402 2.021 20 0 CEADMP Cc1cnccc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000335464933 364770961 /nfs/dbraw/zinc/77/09/61/364770961.db2.gz XUUUGHJLMHFUOL-IRXDYDNUSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1cnccc1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335464933 364770969 /nfs/dbraw/zinc/77/09/69/364770969.db2.gz XUUUGHJLMHFUOL-IRXDYDNUSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1cnccc1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335464933 364770975 /nfs/dbraw/zinc/77/09/75/364770975.db2.gz XUUUGHJLMHFUOL-IRXDYDNUSA-N 2 1 273.424 2.349 20 0 CEADMP CC(C)Oc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000112204706 364778666 /nfs/dbraw/zinc/77/86/66/364778666.db2.gz NKHIRENBYGOXFV-GASCZTMLSA-N 2 1 260.381 2.125 20 0 CEADMP CC(C)Oc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000112204706 364778675 /nfs/dbraw/zinc/77/86/75/364778675.db2.gz NKHIRENBYGOXFV-GASCZTMLSA-N 2 1 260.381 2.125 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000572181385 299350949 /nfs/dbraw/zinc/35/09/49/299350949.db2.gz AUGXMDWYYRHOCM-JJXSEGSLSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4c[nH]nc43)C2)C1 ZINC000335780462 364973201 /nfs/dbraw/zinc/97/32/01/364973201.db2.gz VIQAZSYVYOPMGI-QGZVFWFLSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc4c[nH]nc43)C2)C1 ZINC000335780462 364973205 /nfs/dbraw/zinc/97/32/05/364973205.db2.gz VIQAZSYVYOPMGI-QGZVFWFLSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc4c[nH]nc43)C2)C1 ZINC000335780462 364973210 /nfs/dbraw/zinc/97/32/10/364973210.db2.gz VIQAZSYVYOPMGI-QGZVFWFLSA-N 2 1 284.407 2.481 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2C)C1 ZINC000572253892 299354412 /nfs/dbraw/zinc/35/44/12/299354412.db2.gz DUQNTYKOGMFWII-HOTGVXAUSA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000572253892 299354413 /nfs/dbraw/zinc/35/44/13/299354413.db2.gz DUQNTYKOGMFWII-HOTGVXAUSA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000572253892 299354415 /nfs/dbraw/zinc/35/44/15/299354415.db2.gz DUQNTYKOGMFWII-HOTGVXAUSA-N 2 1 276.424 2.097 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000335866359 365090093 /nfs/dbraw/zinc/09/00/93/365090093.db2.gz XHBGXXHLORVDCI-CXAGYDPISA-N 2 1 284.407 2.350 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000335866359 365090094 /nfs/dbraw/zinc/09/00/94/365090094.db2.gz XHBGXXHLORVDCI-CXAGYDPISA-N 2 1 284.407 2.350 20 0 CEADMP Cc1nc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)sc1C ZINC000335917786 365160151 /nfs/dbraw/zinc/16/01/51/365160151.db2.gz LWDXKCLDUXYBLC-CQSZACIVSA-N 2 1 265.426 2.288 20 0 CEADMP C[C@@H]1CC[N@@H+](CCOCC[NH3+])[C@H]1c1cccc(F)c1 ZINC000357082444 370805279 /nfs/dbraw/zinc/80/52/79/370805279.db2.gz XAGSQHQOMYRKON-IUODEOHRSA-N 2 1 266.360 2.184 20 0 CEADMP Cc1cccc(CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000582178246 366873724 /nfs/dbraw/zinc/87/37/24/366873724.db2.gz QSAKYOPSIQNIIV-GDBMZVCRSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cccc(CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000582178246 366873725 /nfs/dbraw/zinc/87/37/25/366873725.db2.gz QSAKYOPSIQNIIV-GDBMZVCRSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cccc(CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000582178246 366873727 /nfs/dbraw/zinc/87/37/27/366873727.db2.gz QSAKYOPSIQNIIV-GDBMZVCRSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cccc(CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000582178246 366873728 /nfs/dbraw/zinc/87/37/28/366873728.db2.gz QSAKYOPSIQNIIV-GDBMZVCRSA-N 2 1 261.413 2.347 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000120247845 365395582 /nfs/dbraw/zinc/39/55/82/365395582.db2.gz XSBSRICMPOBDGE-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1(C(N)=O)CCCC1 ZINC000120160657 365381175 /nfs/dbraw/zinc/38/11/75/365381175.db2.gz TXVRVHAPXGIYQP-UHFFFAOYSA-N 2 1 298.390 2.102 20 0 CEADMP COc1ccccc1/C=C\C[NH2+]C1CC[NH+](C)CC1 ZINC000340471900 366896786 /nfs/dbraw/zinc/89/67/86/366896786.db2.gz KWQRQPWROACTDP-ALCCZGGFSA-N 2 1 260.381 2.392 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000572367362 299361612 /nfs/dbraw/zinc/36/16/12/299361612.db2.gz XGIMAHSJSOMVSB-UXLLHSPISA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN(CCc1cccc(F)c1)C1CC1 ZINC000582823781 366961958 /nfs/dbraw/zinc/96/19/58/366961958.db2.gz JBCFNIGLLKTZNT-QGZVFWFLSA-N 2 1 294.414 2.145 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000582823781 366961963 /nfs/dbraw/zinc/96/19/63/366961963.db2.gz JBCFNIGLLKTZNT-QGZVFWFLSA-N 2 1 294.414 2.145 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000582823781 366961967 /nfs/dbraw/zinc/96/19/67/366961967.db2.gz JBCFNIGLLKTZNT-QGZVFWFLSA-N 2 1 294.414 2.145 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](CCc1cccc(F)c1)C1CC1 ZINC000582823781 366961972 /nfs/dbraw/zinc/96/19/72/366961972.db2.gz JBCFNIGLLKTZNT-QGZVFWFLSA-N 2 1 294.414 2.145 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CCc1cccc(F)c1)C1CC1 ZINC000582823781 366961977 /nfs/dbraw/zinc/96/19/77/366961977.db2.gz JBCFNIGLLKTZNT-QGZVFWFLSA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000582823781 366961982 /nfs/dbraw/zinc/96/19/82/366961982.db2.gz JBCFNIGLLKTZNT-QGZVFWFLSA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000582823781 366961985 /nfs/dbraw/zinc/96/19/85/366961985.db2.gz JBCFNIGLLKTZNT-QGZVFWFLSA-N 2 1 294.414 2.145 20 0 CEADMP COC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000340701187 366996271 /nfs/dbraw/zinc/99/62/71/366996271.db2.gz KLMSYRUVXSYOQY-IRXDYDNUSA-N 2 1 276.424 2.176 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC[C@@H]1CCC[NH+]1C ZINC000162202548 367145462 /nfs/dbraw/zinc/14/54/62/367145462.db2.gz CHURXNSHALXRCX-XHSDSOJGSA-N 2 1 265.445 2.029 20 0 CEADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2CC[C@@H]1CCC[N@@H+]1C ZINC000162202548 367145464 /nfs/dbraw/zinc/14/54/64/367145464.db2.gz CHURXNSHALXRCX-XHSDSOJGSA-N 2 1 265.445 2.029 20 0 CEADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2CC[C@@H]1CCC[N@H+]1C ZINC000162202548 367145465 /nfs/dbraw/zinc/14/54/65/367145465.db2.gz CHURXNSHALXRCX-XHSDSOJGSA-N 2 1 265.445 2.029 20 0 CEADMP Cc1cc(Br)ccc1C[NH2+][C@H](C)C[NH3+] ZINC000162059936 367134464 /nfs/dbraw/zinc/13/44/64/367134464.db2.gz VEODKEQTGJLEDJ-SECBINFHSA-N 2 1 257.175 2.194 20 0 CEADMP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551588 212254493 /nfs/dbraw/zinc/25/44/93/212254493.db2.gz JZZDAAUIRCQQDR-ZDUSSCGKSA-N 2 1 299.187 2.385 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)Nc1cc(C)nc(CC)n1 ZINC000341140201 367192620 /nfs/dbraw/zinc/19/26/20/367192620.db2.gz NQPFMKUBEOXUIZ-CYBMUJFWSA-N 2 1 264.417 2.302 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)Nc1cc(C)[nH+]c(CC)n1 ZINC000341140201 367192625 /nfs/dbraw/zinc/19/26/25/367192625.db2.gz NQPFMKUBEOXUIZ-CYBMUJFWSA-N 2 1 264.417 2.302 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)Nc1cc(C)[nH+]c(CC)n1 ZINC000341140201 367192632 /nfs/dbraw/zinc/19/26/32/367192632.db2.gz NQPFMKUBEOXUIZ-CYBMUJFWSA-N 2 1 264.417 2.302 20 0 CEADMP Cc1nccn1C[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245579258 370843464 /nfs/dbraw/zinc/84/34/64/370843464.db2.gz BVAKATVOPWABCK-HZPDHXFCSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1nccn1C[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245579258 370843469 /nfs/dbraw/zinc/84/34/69/370843469.db2.gz BVAKATVOPWABCK-HZPDHXFCSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1nccn1C[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000245579258 370843472 /nfs/dbraw/zinc/84/34/72/370843472.db2.gz BVAKATVOPWABCK-HZPDHXFCSA-N 2 1 276.428 2.140 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(CC[C@H]2CCC[NH+]2C)C1 ZINC000245605569 370848302 /nfs/dbraw/zinc/84/83/02/370848302.db2.gz JZSHVRXIXMMDRM-JKSUJKDBSA-N 3 1 267.461 2.134 20 0 CEADMP CCC[NH+](C)C[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245605569 370848305 /nfs/dbraw/zinc/84/83/05/370848305.db2.gz JZSHVRXIXMMDRM-JKSUJKDBSA-N 3 1 267.461 2.134 20 0 CEADMP CCC[NH+](C)C[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000245605569 370848309 /nfs/dbraw/zinc/84/83/09/370848309.db2.gz JZSHVRXIXMMDRM-JKSUJKDBSA-N 3 1 267.461 2.134 20 0 CEADMP Cc1[nH+]ccn1CCCCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000245607022 370849259 /nfs/dbraw/zinc/84/92/59/370849259.db2.gz KFQRZDOFDXQSIX-GDBMZVCRSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1[nH+]ccn1CCCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000245607022 370849264 /nfs/dbraw/zinc/84/92/64/370849264.db2.gz KFQRZDOFDXQSIX-GDBMZVCRSA-N 2 1 276.428 2.140 20 0 CEADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000163339417 367233188 /nfs/dbraw/zinc/23/31/88/367233188.db2.gz JVGHHCMKFUGDAI-INIZCTEOSA-N 2 1 290.455 2.161 20 0 CEADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000163501837 367244919 /nfs/dbraw/zinc/24/49/19/367244919.db2.gz KXYCNYCNNXHYPO-GJZGRUSLSA-N 2 1 255.450 2.038 20 0 CEADMP CCCC[NH+](C)CCN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000163501837 367244921 /nfs/dbraw/zinc/24/49/21/367244921.db2.gz KXYCNYCNNXHYPO-GJZGRUSLSA-N 2 1 255.450 2.038 20 0 CEADMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000163501837 367244922 /nfs/dbraw/zinc/24/49/22/367244922.db2.gz KXYCNYCNNXHYPO-GJZGRUSLSA-N 2 1 255.450 2.038 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000164708516 367293527 /nfs/dbraw/zinc/29/35/27/367293527.db2.gz JYXQLOCJMIQZLI-OAHLLOKOSA-N 2 1 287.411 2.372 20 0 CEADMP COC[C@H]([NH2+]CCCCn1cc[nH+]c1C)C(C)C ZINC000164679922 367293677 /nfs/dbraw/zinc/29/36/77/367293677.db2.gz MRBMVHJTLHBLAT-AWEZNQCLSA-N 2 1 253.390 2.232 20 0 CEADMP CC(C)[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000165996601 367317036 /nfs/dbraw/zinc/31/70/36/367317036.db2.gz DGMIVNJLQJQXLA-MRXNPFEDSA-N 2 1 291.439 2.126 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC)[C@@H](C)C2)CC[N@H+]1C ZINC000631440993 367319139 /nfs/dbraw/zinc/31/91/39/367319139.db2.gz FJYRJLSVSKEGPW-YHUYYLMFSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)CC[NH+]1C ZINC000631440993 367319143 /nfs/dbraw/zinc/31/91/43/367319143.db2.gz FJYRJLSVSKEGPW-YHUYYLMFSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)CC[NH+]1C ZINC000631440993 367319150 /nfs/dbraw/zinc/31/91/50/367319150.db2.gz FJYRJLSVSKEGPW-YHUYYLMFSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000631579022 367415733 /nfs/dbraw/zinc/41/57/33/367415733.db2.gz CTZXYVVAOHAFTD-CVEARBPZSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631669757 367474066 /nfs/dbraw/zinc/47/40/66/367474066.db2.gz NCSRVIAAUWKPTM-OWLYRPNTSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631669757 367474070 /nfs/dbraw/zinc/47/40/70/367474070.db2.gz NCSRVIAAUWKPTM-OWLYRPNTSA-N 2 1 288.435 2.258 20 0 CEADMP Cc1cnc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)n1C ZINC000342775223 367528716 /nfs/dbraw/zinc/52/87/16/367528716.db2.gz FACNYQAVANRLEC-INIZCTEOSA-N 2 1 284.407 2.217 20 0 CEADMP Cc1cnc(CN2CCN(C)C[C@H]2c2ccccc2)n1C ZINC000342775223 367528724 /nfs/dbraw/zinc/52/87/24/367528724.db2.gz FACNYQAVANRLEC-INIZCTEOSA-N 2 1 284.407 2.217 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2(O)CCC2)[C@@H](C)C1 ZINC000342808321 367550164 /nfs/dbraw/zinc/55/01/64/367550164.db2.gz BNCURDBJAWMKFB-HOTGVXAUSA-N 2 1 298.471 2.018 20 0 CEADMP Cc1c(Cl)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)nn1C ZINC000335543972 212244083 /nfs/dbraw/zinc/24/40/83/212244083.db2.gz OKNPGSDXDQBQRU-NSHDSACASA-N 2 1 296.846 2.346 20 0 CEADMP Cc1c(Cl)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)nn1C ZINC000335543972 212244086 /nfs/dbraw/zinc/24/40/86/212244086.db2.gz OKNPGSDXDQBQRU-NSHDSACASA-N 2 1 296.846 2.346 20 0 CEADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000631872609 367604409 /nfs/dbraw/zinc/60/44/09/367604409.db2.gz CWQYMQSSQSCQHW-HOTGVXAUSA-N 2 1 278.440 2.410 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000335532977 212228173 /nfs/dbraw/zinc/22/81/73/212228173.db2.gz LBHFBSOCGYVZBK-GXTWGEPZSA-N 2 1 290.411 2.058 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)c1C ZINC000631889114 367610563 /nfs/dbraw/zinc/61/05/63/367610563.db2.gz FXPKJQOAKSNRFK-HOCLYGCPSA-N 2 1 289.423 2.281 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000343042333 367642444 /nfs/dbraw/zinc/64/24/44/367642444.db2.gz AHHXMDIRUQPQGA-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3CCc4ccccc43)CC2)C1 ZINC000682069181 541626212 /nfs/dbraw/zinc/62/62/12/541626212.db2.gz CQYSAPHWISIHGR-IEBWSBKVSA-N 2 1 299.462 2.386 20 0 CEADMP C[C@@H]1CSCC[NH+]1C/C=C/C[N@@H+]1CCSC[C@@H]1C ZINC000172595474 367785394 /nfs/dbraw/zinc/78/53/94/367785394.db2.gz ITQIDVQZONFQRF-ISANGGDFSA-N 2 1 286.510 2.417 20 0 CEADMP C[C@@H]1CSCC[N@H+]1C/C=C/C[NH+]1CCSC[C@@H]1C ZINC000172595474 367785402 /nfs/dbraw/zinc/78/54/02/367785402.db2.gz ITQIDVQZONFQRF-ISANGGDFSA-N 2 1 286.510 2.417 20 0 CEADMP C[C@@H]1CSCC[N@@H+]1C/C=C/C[NH+]1CCSC[C@@H]1C ZINC000172595474 367785408 /nfs/dbraw/zinc/78/54/08/367785408.db2.gz ITQIDVQZONFQRF-ISANGGDFSA-N 2 1 286.510 2.417 20 0 CEADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358030640 370876760 /nfs/dbraw/zinc/87/67/60/370876760.db2.gz YBJMUJOJFJETAA-OUAUKWLOSA-N 2 1 268.323 2.026 20 0 CEADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358030640 370876763 /nfs/dbraw/zinc/87/67/63/370876763.db2.gz YBJMUJOJFJETAA-OUAUKWLOSA-N 2 1 268.323 2.026 20 0 CEADMP CCN1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000343532953 367868328 /nfs/dbraw/zinc/86/83/28/367868328.db2.gz OYYDWUFKFXQLEL-IKGGRYGDSA-N 2 1 281.488 2.428 20 0 CEADMP c1[nH]nc2c1cccc2C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000343615812 367918292 /nfs/dbraw/zinc/91/82/92/367918292.db2.gz KYRXYZSQCXCZLI-CABCVRRESA-N 2 1 270.380 2.279 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2c[nH]nc2c1 ZINC000343627103 367926565 /nfs/dbraw/zinc/92/65/65/367926565.db2.gz UZEIOURLKVIPNQ-UHFFFAOYSA-N 2 1 272.396 2.481 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2c[nH]nc2c1 ZINC000343627103 367926566 /nfs/dbraw/zinc/92/65/66/367926566.db2.gz UZEIOURLKVIPNQ-UHFFFAOYSA-N 2 1 272.396 2.481 20 0 CEADMP C[NH+](CCC[N@@H+](C)C[C@H]1CCCCO1)C[C@H]1CCCCO1 ZINC000343682747 367952843 /nfs/dbraw/zinc/95/28/43/367952843.db2.gz ZDJXNGVLAQWFSR-IAGOWNOFSA-N 2 1 298.471 2.378 20 0 CEADMP C[NH+](CCC[N@H+](C)C[C@H]1CCCCO1)C[C@H]1CCCCO1 ZINC000343682747 367952845 /nfs/dbraw/zinc/95/28/45/367952845.db2.gz ZDJXNGVLAQWFSR-IAGOWNOFSA-N 2 1 298.471 2.378 20 0 CEADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729774 368059207 /nfs/dbraw/zinc/05/92/07/368059207.db2.gz LIXVKRUWWSYAQD-OAHLLOKOSA-N 2 1 293.430 2.456 20 0 CEADMP CCc1cnc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000344127735 368110144 /nfs/dbraw/zinc/11/01/44/368110144.db2.gz ZJBPGTAIVILWLC-ZYHUDNBSSA-N 2 1 253.415 2.135 20 0 CEADMP C[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000344546012 368127498 /nfs/dbraw/zinc/12/74/98/368127498.db2.gz YJLZQVIWYQWSOO-LVQVYYBASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000344546012 368127502 /nfs/dbraw/zinc/12/75/02/368127502.db2.gz YJLZQVIWYQWSOO-LVQVYYBASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000344546012 368127507 /nfs/dbraw/zinc/12/75/07/368127507.db2.gz YJLZQVIWYQWSOO-LVQVYYBASA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000343969113 368097257 /nfs/dbraw/zinc/09/72/57/368097257.db2.gz BPOACQDEDLRSFX-LSDHHAIUSA-N 2 1 266.433 2.372 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000343969113 368097265 /nfs/dbraw/zinc/09/72/65/368097265.db2.gz BPOACQDEDLRSFX-LSDHHAIUSA-N 2 1 266.433 2.372 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCSCC2)[C@@H](C)C1 ZINC000345170297 368180341 /nfs/dbraw/zinc/18/03/41/368180341.db2.gz QUIHBTDXXYOZFB-JSGCOSHPSA-N 2 1 256.459 2.450 20 0 CEADMP C[N@H+]1CC=C(C[NH2+]Cc2c(F)cccc2F)CC1 ZINC000345190666 368187513 /nfs/dbraw/zinc/18/75/13/368187513.db2.gz VDUIDKKYZOIILE-UHFFFAOYSA-N 2 1 252.308 2.316 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2c(F)cccc2F)CC1 ZINC000345190666 368187519 /nfs/dbraw/zinc/18/75/19/368187519.db2.gz VDUIDKKYZOIILE-UHFFFAOYSA-N 2 1 252.308 2.316 20 0 CEADMP CC[N@@H+](CCCn1ccnc1C)[C@@H]1CCC[NH2+]CC1 ZINC000345195242 368189967 /nfs/dbraw/zinc/18/99/67/368189967.db2.gz ABTCYYLWJCIWNN-OAHLLOKOSA-N 2 1 264.417 2.046 20 0 CEADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCC[NH2+]CC1 ZINC000345195242 368189971 /nfs/dbraw/zinc/18/99/71/368189971.db2.gz ABTCYYLWJCIWNN-OAHLLOKOSA-N 3 1 264.417 2.046 20 0 CEADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCC[NH2+]CC1 ZINC000345195242 368189975 /nfs/dbraw/zinc/18/99/75/368189975.db2.gz ABTCYYLWJCIWNN-OAHLLOKOSA-N 3 1 264.417 2.046 20 0 CEADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000181561376 368470740 /nfs/dbraw/zinc/47/07/40/368470740.db2.gz MBIZDUJNMQKQTF-JKSUJKDBSA-N 2 1 298.471 2.017 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cncc(F)c1 ZINC000247998954 296121841 /nfs/dbraw/zinc/12/18/41/296121841.db2.gz KEWAQEFQCDQPFJ-CJNGLKHVSA-N 2 1 295.402 2.108 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC000346407263 368665349 /nfs/dbraw/zinc/66/53/49/368665349.db2.gz DXSKCMFVGQFGBH-MRXNPFEDSA-N 2 1 295.402 2.153 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000346407263 368665354 /nfs/dbraw/zinc/66/53/54/368665354.db2.gz DXSKCMFVGQFGBH-MRXNPFEDSA-N 2 1 295.402 2.153 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)C1 ZINC000183713618 368644273 /nfs/dbraw/zinc/64/42/73/368644273.db2.gz NKLRSEJIEIRAOZ-KBPBESRZSA-N 2 1 284.444 2.428 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000346693492 368775695 /nfs/dbraw/zinc/77/56/95/368775695.db2.gz NIKOVQPWZWLQBB-VXGBXAGGSA-N 2 1 288.370 2.385 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000185205695 368767427 /nfs/dbraw/zinc/76/74/27/368767427.db2.gz WIEURKNCLSCZHD-OAHLLOKOSA-N 2 1 291.420 2.206 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000346690259 368773127 /nfs/dbraw/zinc/77/31/27/368773127.db2.gz TWGUPENPTNTZAS-DZGCQCFKSA-N 2 1 298.390 2.438 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000346635401 368744130 /nfs/dbraw/zinc/74/41/30/368744130.db2.gz GXBNIPVZRLDYQK-TZMCWYRMSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000346660317 368757218 /nfs/dbraw/zinc/75/72/18/368757218.db2.gz ANGSVGWPYXOHBE-GXTWGEPZSA-N 2 1 288.370 2.181 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000346660317 368757220 /nfs/dbraw/zinc/75/72/20/368757220.db2.gz ANGSVGWPYXOHBE-GXTWGEPZSA-N 2 1 288.370 2.181 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccccc1F ZINC000347315448 368805152 /nfs/dbraw/zinc/80/51/52/368805152.db2.gz KYZJCXGPHVLTBF-SWLSCSKDSA-N 2 1 250.361 2.298 20 0 CEADMP C[C@@H]1CC[C@H](C[N@@H+](CCC[NH3+])CC2CCCC2)O1 ZINC000634687986 368815792 /nfs/dbraw/zinc/81/57/92/368815792.db2.gz FBPQLPRLEZEJSM-UKRRQHHQSA-N 2 1 254.418 2.395 20 0 CEADMP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1)[NH+](CC)CC ZINC000347928824 368827824 /nfs/dbraw/zinc/82/78/24/368827824.db2.gz JDDMLRJCIIZFAA-HUUCEWRRSA-N 2 1 283.460 2.096 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC000634732417 368845009 /nfs/dbraw/zinc/84/50/09/368845009.db2.gz GISYOYIDKVHORO-ZDUSSCGKSA-N 2 1 276.380 2.283 20 0 CEADMP CCOC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661261 368838506 /nfs/dbraw/zinc/83/85/06/368838506.db2.gz BSSIDIVCWDUSPP-UONOGXRCSA-N 2 1 282.428 2.182 20 0 CEADMP CCOC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661280 368838732 /nfs/dbraw/zinc/83/87/32/368838732.db2.gz BSSIDIVCWDUSPP-ZIAGYGMSSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1(O)CCC1 ZINC000634724823 368840862 /nfs/dbraw/zinc/84/08/62/368840862.db2.gz YGZKCLAVTQQYGN-DOTOQJQBSA-N 2 1 288.435 2.259 20 0 CEADMP Cc1cccn2c(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cnc12 ZINC000346858709 368791945 /nfs/dbraw/zinc/79/19/45/368791945.db2.gz RQYFPKUPONGCQA-NUEKZKHPSA-N 2 1 284.407 2.202 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)C(F)F)cc1 ZINC000348071863 368885139 /nfs/dbraw/zinc/88/51/39/368885139.db2.gz JFMJVVGDCJUWCS-QMTHXVAHSA-N 2 1 295.333 2.457 20 0 CEADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000348127442 368909758 /nfs/dbraw/zinc/90/97/58/368909758.db2.gz RYLKOVKRXWIXIB-KURKYZTESA-N 2 1 288.435 2.402 20 0 CEADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000348127442 368909763 /nfs/dbraw/zinc/90/97/63/368909763.db2.gz RYLKOVKRXWIXIB-KURKYZTESA-N 2 1 288.435 2.402 20 0 CEADMP C[N@H+](CC1CC1)C[C@H]1CCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000348182676 368937887 /nfs/dbraw/zinc/93/78/87/368937887.db2.gz SEVYAGISBXCDCH-CYBMUJFWSA-N 2 1 285.395 2.126 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000348182676 368937892 /nfs/dbraw/zinc/93/78/92/368937892.db2.gz SEVYAGISBXCDCH-CYBMUJFWSA-N 2 1 285.395 2.126 20 0 CEADMP Cn1nccc1C[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000348363037 369018081 /nfs/dbraw/zinc/01/80/81/369018081.db2.gz KCBJCAOYIIVHAR-UHFFFAOYSA-N 2 1 281.363 2.238 20 0 CEADMP Cn1nccc1C[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000348363037 369018092 /nfs/dbraw/zinc/01/80/92/369018092.db2.gz KCBJCAOYIIVHAR-UHFFFAOYSA-N 2 1 281.363 2.238 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991729 369019486 /nfs/dbraw/zinc/01/94/86/369019486.db2.gz PRNSUZXERNXARH-ZIAGYGMSSA-N 2 1 296.418 2.500 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634995997 369025033 /nfs/dbraw/zinc/02/50/33/369025033.db2.gz WARQDPFTXOFPAN-GUYCJALGSA-N 2 1 296.418 2.418 20 0 CEADMP CC[C@@H](OCC[NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000634996427 369026339 /nfs/dbraw/zinc/02/63/39/369026339.db2.gz JKUJOGSZQCENJT-ARWYELJZSA-N 2 1 274.408 2.496 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998354 369029672 /nfs/dbraw/zinc/02/96/72/369029672.db2.gz DPXXVKZUOYUMKJ-HUUCEWRRSA-N 2 1 284.407 2.207 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998354 369029675 /nfs/dbraw/zinc/02/96/75/369029675.db2.gz DPXXVKZUOYUMKJ-HUUCEWRRSA-N 2 1 284.407 2.207 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000186735584 369030627 /nfs/dbraw/zinc/03/06/27/369030627.db2.gz LEXLYFZFKQPUPR-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000635003177 369039003 /nfs/dbraw/zinc/03/90/03/369039003.db2.gz GXIJQDCGRVWZOV-BZZMCLGOSA-N 2 1 287.451 2.224 20 0 CEADMP CC[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccn(C)n1 ZINC000635004064 369040247 /nfs/dbraw/zinc/04/02/47/369040247.db2.gz CYQBOCVDFDGTNY-CVEARBPZSA-N 2 1 286.423 2.421 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634952940 368986626 /nfs/dbraw/zinc/98/66/26/368986626.db2.gz MPUOWRVPKAQEGV-OWCLPIDISA-N 2 1 295.471 2.003 20 0 CEADMP c1cnc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2n1 ZINC000634952720 368986832 /nfs/dbraw/zinc/98/68/32/368986832.db2.gz HKHAOBBJLFDSAY-HUUCEWRRSA-N 2 1 282.391 2.346 20 0 CEADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCNC(=O)CC1)CC(C)C ZINC000634951812 368987020 /nfs/dbraw/zinc/98/70/20/368987020.db2.gz GYNAAVXOVGLOOR-GJZGRUSLSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)[NH+](CCNC(=O)[C@@H]1CC[N@H+]1C1CCCC1)C(C)C ZINC000635137304 369088609 /nfs/dbraw/zinc/08/86/09/369088609.db2.gz NENKPFLWILGNDK-INIZCTEOSA-N 2 1 295.471 2.238 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000635014242 369052827 /nfs/dbraw/zinc/05/28/27/369052827.db2.gz ZLKCMOJBAVLCEC-NJAFHUGGSA-N 2 1 287.451 2.157 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(C(N)=O)c1 ZINC000330642595 203071488 /nfs/dbraw/zinc/07/14/88/203071488.db2.gz DZAUFQSNNOXZLN-IUODEOHRSA-N 2 1 275.396 2.042 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635325244 369140301 /nfs/dbraw/zinc/14/03/01/369140301.db2.gz LXGPICXYHSBZTL-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635325244 369140311 /nfs/dbraw/zinc/14/03/11/369140311.db2.gz LXGPICXYHSBZTL-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635325244 369140319 /nfs/dbraw/zinc/14/03/19/369140319.db2.gz LXGPICXYHSBZTL-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCc1cccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c1 ZINC000187335102 369140979 /nfs/dbraw/zinc/14/09/79/369140979.db2.gz PAXXTDRVTXNMJU-MRXNPFEDSA-N 2 1 264.413 2.041 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000348755094 369142713 /nfs/dbraw/zinc/14/27/13/369142713.db2.gz FWCCPMASUUSDBD-GXTWGEPZSA-N 2 1 250.361 2.427 20 0 CEADMP C[N@@H+](CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)CC(C)(C)C ZINC000635538601 369210236 /nfs/dbraw/zinc/21/02/36/369210236.db2.gz KIWSJAJZNDZCES-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)CN(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000349071698 369235358 /nfs/dbraw/zinc/23/53/58/369235358.db2.gz GUTSBKYAJHNKBB-JKSUJKDBSA-N 2 1 269.477 2.380 20 0 CEADMP Fc1cc(OCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1Cl ZINC000683004665 541750456 /nfs/dbraw/zinc/75/04/56/541750456.db2.gz IHNJWKGABZNDPR-GHMZBOCLSA-N 2 1 284.762 2.009 20 0 CEADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000349664517 369364245 /nfs/dbraw/zinc/36/42/45/369364245.db2.gz MEAUSXAMFHWQIH-NQBHXWOUSA-N 2 1 267.442 2.485 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)C[C@H]2CC[N@@H+](C)C2)c(F)c1 ZINC000636024127 369467308 /nfs/dbraw/zinc/46/73/08/369467308.db2.gz IALLKXWBCQZCRD-CYBMUJFWSA-N 2 1 293.386 2.168 20 0 CEADMP CC1=CC[NH+](CCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000349988134 369477341 /nfs/dbraw/zinc/47/73/41/369477341.db2.gz CGIFEYKNTCPWFN-INIZCTEOSA-N 2 1 293.455 2.019 20 0 CEADMP CC1=CC[N@H+](CCNC(=O)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000349988134 369477347 /nfs/dbraw/zinc/47/73/47/369477347.db2.gz CGIFEYKNTCPWFN-INIZCTEOSA-N 2 1 293.455 2.019 20 0 CEADMP CC1=CC[N@@H+](CCNC(=O)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000349988134 369477352 /nfs/dbraw/zinc/47/73/52/369477352.db2.gz CGIFEYKNTCPWFN-INIZCTEOSA-N 2 1 293.455 2.019 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCCCC1 ZINC000358223129 370958228 /nfs/dbraw/zinc/95/82/28/370958228.db2.gz ABKRLNYBQDBYFZ-UKRRQHHQSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCCCC1 ZINC000358223129 370958232 /nfs/dbraw/zinc/95/82/32/370958232.db2.gz ABKRLNYBQDBYFZ-UKRRQHHQSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000358223990 370958325 /nfs/dbraw/zinc/95/83/25/370958325.db2.gz BISFUFQHIMMZOA-HOTGVXAUSA-N 2 1 294.826 2.447 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000358223990 370958330 /nfs/dbraw/zinc/95/83/30/370958330.db2.gz BISFUFQHIMMZOA-HOTGVXAUSA-N 2 1 294.826 2.447 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000358227128 370961514 /nfs/dbraw/zinc/96/15/14/370961514.db2.gz NSOZSICOSXEPFF-HYVNUMGLSA-N 2 1 274.408 2.418 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000358227128 370961517 /nfs/dbraw/zinc/96/15/17/370961517.db2.gz NSOZSICOSXEPFF-HYVNUMGLSA-N 2 1 274.408 2.418 20 0 CEADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC000358264666 370981827 /nfs/dbraw/zinc/98/18/27/370981827.db2.gz YSVFXAOFQQZKFV-HUUCEWRRSA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC000358264666 370981829 /nfs/dbraw/zinc/98/18/29/370981829.db2.gz YSVFXAOFQQZKFV-HUUCEWRRSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CC(C)(C)Oc3ccccc3)C[C@@H]2C1 ZINC000639113202 370990587 /nfs/dbraw/zinc/99/05/87/370990587.db2.gz KQEAGGKAAKZWTN-GASCZTMLSA-N 2 1 274.408 2.337 20 0 CEADMP CC[C@]1(CO)CCC[N@@H+](Cc2cccc3nccn32)C1 ZINC000190223067 369604911 /nfs/dbraw/zinc/60/49/11/369604911.db2.gz YYFSPPAIZMLSBC-INIZCTEOSA-N 2 1 273.380 2.319 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCn1ccnc1 ZINC000191505912 369719365 /nfs/dbraw/zinc/71/93/65/369719365.db2.gz ZBASEDWANONLOR-UHFFFAOYSA-N 2 1 275.400 2.054 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCn1ccnc1 ZINC000191505912 369719369 /nfs/dbraw/zinc/71/93/69/369719369.db2.gz ZBASEDWANONLOR-UHFFFAOYSA-N 2 1 275.400 2.054 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000191805495 369744655 /nfs/dbraw/zinc/74/46/55/369744655.db2.gz MQVPCXSXDNPYHP-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000191805495 369744659 /nfs/dbraw/zinc/74/46/59/369744659.db2.gz MQVPCXSXDNPYHP-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP Cc1cccc(C[C@@H](CO)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000191613133 369726613 /nfs/dbraw/zinc/72/66/13/369726613.db2.gz LYIRCMDZVJDXDJ-FGTMMUONSA-N 2 1 288.435 2.115 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCO[C@H](C)C2)C1 ZINC000352610182 369806762 /nfs/dbraw/zinc/80/67/62/369806762.db2.gz ZBWDDJBWCOTAIH-ILXRZTDVSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCO[C@H](C)C2)C1 ZINC000352610182 369806768 /nfs/dbraw/zinc/80/67/68/369806768.db2.gz ZBWDDJBWCOTAIH-ILXRZTDVSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@H](C)C2)C1 ZINC000352610182 369806773 /nfs/dbraw/zinc/80/67/73/369806773.db2.gz ZBWDDJBWCOTAIH-ILXRZTDVSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CCO1 ZINC000352693466 369840828 /nfs/dbraw/zinc/84/08/28/369840828.db2.gz LPHTWPVNJBLIPC-ILXRZTDVSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+](C)C[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000352693466 369840831 /nfs/dbraw/zinc/84/08/31/369840831.db2.gz LPHTWPVNJBLIPC-ILXRZTDVSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000352693466 369840835 /nfs/dbraw/zinc/84/08/35/369840835.db2.gz LPHTWPVNJBLIPC-ILXRZTDVSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccnn1C ZINC000192245201 369784313 /nfs/dbraw/zinc/78/43/13/369784313.db2.gz BFALTZCBVIRZFJ-KGLIPLIRSA-N 2 1 264.417 2.335 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccnn1C ZINC000192245201 369784314 /nfs/dbraw/zinc/78/43/14/369784314.db2.gz BFALTZCBVIRZFJ-KGLIPLIRSA-N 2 1 264.417 2.335 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccnn1C ZINC000192250200 369785450 /nfs/dbraw/zinc/78/54/50/369785450.db2.gz PKBUKCOGHZCPCI-GFCCVEGCSA-N 2 1 264.417 2.334 20 0 CEADMP C[N@H+]1CC=C(C[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000276600341 193395623 /nfs/dbraw/zinc/39/56/23/193395623.db2.gz GHAYECNJVRRZIO-UHFFFAOYSA-N 2 1 282.391 2.224 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000276600341 193395625 /nfs/dbraw/zinc/39/56/25/193395625.db2.gz GHAYECNJVRRZIO-UHFFFAOYSA-N 2 1 282.391 2.224 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCSC2)s1 ZINC000352704666 369847220 /nfs/dbraw/zinc/84/72/20/369847220.db2.gz JHJLCGIALMEHJG-SNVBAGLBSA-N 2 1 271.455 2.047 20 0 CEADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352741970 369862982 /nfs/dbraw/zinc/86/29/82/369862982.db2.gz KLDBFJCLTLSXBU-STQMWFEESA-N 2 1 297.468 2.500 20 0 CEADMP CCC[C@@]1([NH2+]CCCn2cc[nH+]c2C)CCOC1 ZINC000352827100 369898873 /nfs/dbraw/zinc/89/88/73/369898873.db2.gz UKGZNSJIACJKSH-CQSZACIVSA-N 2 1 251.374 2.130 20 0 CEADMP c1ccc(C[NH+]2CCC(N[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000195266139 370121371 /nfs/dbraw/zinc/12/13/71/370121371.db2.gz NJXJTEFHKKNJCH-SFHVURJKSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[NH+]2CCC(N[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000195266139 370121377 /nfs/dbraw/zinc/12/13/77/370121377.db2.gz NJXJTEFHKKNJCH-SFHVURJKSA-N 2 1 299.462 2.477 20 0 CEADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353673024 370122491 /nfs/dbraw/zinc/12/24/91/370122491.db2.gz QVCXSVJVSAXHSD-ZQNQSHIBSA-N 2 1 252.402 2.016 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)[C@H]1C ZINC000353915718 370134520 /nfs/dbraw/zinc/13/45/20/370134520.db2.gz NWVCPSXVVPXMPN-FQLMCAECSA-N 2 1 294.439 2.038 20 0 CEADMP Cc1ccc(CCC[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000353919686 370135967 /nfs/dbraw/zinc/13/59/67/370135967.db2.gz YWAJZBSOAGQMEZ-MRXNPFEDSA-N 2 1 273.424 2.397 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)CC1 ZINC000353943375 370147639 /nfs/dbraw/zinc/14/76/39/370147639.db2.gz IKOREXNGUOYEFN-VNHYZAJKSA-N 2 1 282.428 2.038 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCOCC1 ZINC000353970570 370158411 /nfs/dbraw/zinc/15/84/11/370158411.db2.gz FLLBUPNHAWMZQC-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCOCC1 ZINC000353970570 370158415 /nfs/dbraw/zinc/15/84/15/370158415.db2.gz FLLBUPNHAWMZQC-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000354183115 370248691 /nfs/dbraw/zinc/24/86/91/370248691.db2.gz XCMYOZSGRNXONE-KGLIPLIRSA-N 2 1 284.444 2.286 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000354183115 370248694 /nfs/dbraw/zinc/24/86/94/370248694.db2.gz XCMYOZSGRNXONE-KGLIPLIRSA-N 2 1 284.444 2.286 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000354183116 370248706 /nfs/dbraw/zinc/24/87/06/370248706.db2.gz XCMYOZSGRNXONE-UONOGXRCSA-N 2 1 284.444 2.286 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000354183116 370248709 /nfs/dbraw/zinc/24/87/09/370248709.db2.gz XCMYOZSGRNXONE-UONOGXRCSA-N 2 1 284.444 2.286 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](OC)C2CCOCC2)C1 ZINC000638122160 370317833 /nfs/dbraw/zinc/31/78/33/370317833.db2.gz IZNBTKFSSFMEHI-RDJZCZTQSA-N 2 1 298.471 2.092 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NCCC(C)(C)C)C[C@@H]1C ZINC000354221587 370266899 /nfs/dbraw/zinc/26/68/99/370266899.db2.gz HJYDCKQUGQGYDQ-LSDHHAIUSA-N 2 1 297.487 2.343 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(C(C)C)C(C)C)C[C@@H]1C ZINC000354223179 370267872 /nfs/dbraw/zinc/26/78/72/370267872.db2.gz NPXJWAWVCHGMPG-HOTGVXAUSA-N 2 1 297.487 2.436 20 0 CEADMP Cc1cc(C[NH3+])oc1C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000638100008 370300185 /nfs/dbraw/zinc/30/01/85/370300185.db2.gz NXUMQEOKEZOTRL-BETUJISGSA-N 2 1 293.411 2.039 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@@H]2CCO2)C[C@@H]1C ZINC000638108717 370305635 /nfs/dbraw/zinc/30/56/35/370305635.db2.gz AHUQENZQDGYLRV-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC[C@@H]2CCO2)C[C@@H]1C ZINC000638108717 370305639 /nfs/dbraw/zinc/30/56/39/370305639.db2.gz AHUQENZQDGYLRV-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC[C@@H]2CCO2)C[C@@H]1C ZINC000638108717 370305641 /nfs/dbraw/zinc/30/56/41/370305641.db2.gz AHUQENZQDGYLRV-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(=O)[nH]c2)C[C@@H]1C ZINC000638110712 370307330 /nfs/dbraw/zinc/30/73/30/370307330.db2.gz OWZNSWGYMTWSBE-JSGCOSHPSA-N 2 1 263.385 2.092 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(=O)[nH]c2)C[C@@H]1C ZINC000638110712 370307336 /nfs/dbraw/zinc/30/73/36/370307336.db2.gz OWZNSWGYMTWSBE-JSGCOSHPSA-N 2 1 263.385 2.092 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(=O)[nH]c2)C[C@@H]1C ZINC000638110712 370307340 /nfs/dbraw/zinc/30/73/40/370307340.db2.gz OWZNSWGYMTWSBE-JSGCOSHPSA-N 2 1 263.385 2.092 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000354435149 370362619 /nfs/dbraw/zinc/36/26/19/370362619.db2.gz BWVPOQALMIQUDR-OKILXGFUSA-N 2 1 299.422 2.100 20 0 CEADMP CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCC[NH2+]C1 ZINC000226434969 370342076 /nfs/dbraw/zinc/34/20/76/370342076.db2.gz FUSYMTZMIDEUGC-AWEZNQCLSA-N 2 1 276.380 2.237 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccnc(OC)c2)CC1 ZINC000638291665 370427133 /nfs/dbraw/zinc/42/71/33/370427133.db2.gz SGWPBAGUILOOAW-ZDUSSCGKSA-N 2 1 277.412 2.095 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]21 ZINC000230126186 370439922 /nfs/dbraw/zinc/43/99/22/370439922.db2.gz DMOYZABDFABXIF-SOUVJXGZSA-N 2 1 288.391 2.017 20 0 CEADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000638327802 370448074 /nfs/dbraw/zinc/44/80/74/370448074.db2.gz CKQLRRAVRNRKLQ-CVEARBPZSA-N 2 1 289.423 2.067 20 0 CEADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000354659820 370456402 /nfs/dbraw/zinc/45/64/02/370456402.db2.gz VJOLIWMJXIVCSS-XEZPLFJOSA-N 2 1 296.842 2.488 20 0 CEADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000354659820 370456408 /nfs/dbraw/zinc/45/64/08/370456408.db2.gz VJOLIWMJXIVCSS-XEZPLFJOSA-N 2 1 296.842 2.488 20 0 CEADMP CC[C@@H](C[NH2+]CC1(COC)CCC1)[NH+]1CCCC1 ZINC000638354111 370464395 /nfs/dbraw/zinc/46/43/95/370464395.db2.gz GRZFBYAMDNEUME-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP CO[C@H](C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1)[C@H]1CCOC1 ZINC000638366093 370475680 /nfs/dbraw/zinc/47/56/80/370475680.db2.gz KVIJAOXEGXHXNS-YESZJQIVSA-N 2 1 298.471 2.140 20 0 CEADMP Cc1ccc(CCC[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000354626237 370438756 /nfs/dbraw/zinc/43/87/56/370438756.db2.gz HGVCHANYKYTKMF-SJORKVTESA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000354626237 370438758 /nfs/dbraw/zinc/43/87/58/370438758.db2.gz HGVCHANYKYTKMF-SJORKVTESA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cn1 ZINC000354626237 370438764 /nfs/dbraw/zinc/43/87/64/370438764.db2.gz HGVCHANYKYTKMF-SJORKVTESA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cn1 ZINC000354626237 370438771 /nfs/dbraw/zinc/43/87/71/370438771.db2.gz HGVCHANYKYTKMF-SJORKVTESA-N 2 1 273.424 2.349 20 0 CEADMP Nc1c(F)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000638378582 370485326 /nfs/dbraw/zinc/48/53/26/370485326.db2.gz YUHOXQZUICCCAC-STQMWFEESA-N 2 1 263.360 2.124 20 0 CEADMP Nc1c(F)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000638378582 370485334 /nfs/dbraw/zinc/48/53/34/370485334.db2.gz YUHOXQZUICCCAC-STQMWFEESA-N 2 1 263.360 2.124 20 0 CEADMP C[N@@H+](CCCOCC(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000231670651 370487163 /nfs/dbraw/zinc/48/71/63/370487163.db2.gz ZQJMNVSFHQSTAJ-NSHDSACASA-N 2 1 268.323 2.029 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000356270932 370636612 /nfs/dbraw/zinc/63/66/12/370636612.db2.gz ALXKIHHFGVJEQW-KBPBESRZSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CC1(F)F ZINC000639125206 371003499 /nfs/dbraw/zinc/00/34/99/371003499.db2.gz XZBWYSOBCVBIRU-AGIUHOORSA-N 2 1 276.371 2.121 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCCC[C@H]2O)CC[N@H+]1C ZINC000358306644 371004739 /nfs/dbraw/zinc/00/47/39/371004739.db2.gz OHDICFSSSPDWIF-QKPAOTATSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCN2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000358329867 371017237 /nfs/dbraw/zinc/01/72/37/371017237.db2.gz PRTCIOLSLWVWEX-FUHWJXTLSA-N 2 1 287.451 2.335 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCN2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000358329867 371017242 /nfs/dbraw/zinc/01/72/42/371017242.db2.gz PRTCIOLSLWVWEX-FUHWJXTLSA-N 2 1 287.451 2.335 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CCC3CCOCC3)C2)CC1 ZINC000639177448 371054450 /nfs/dbraw/zinc/05/44/50/371054450.db2.gz TYTBUXUUUGWTEE-QGZVFWFLSA-N 2 1 280.456 2.467 20 0 CEADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccns2)C1 ZINC000639179473 371060796 /nfs/dbraw/zinc/06/07/96/371060796.db2.gz SYZBBCGTFOEPGW-AAEUAGOBSA-N 2 1 251.399 2.059 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccns2)C1 ZINC000639179473 371060801 /nfs/dbraw/zinc/06/08/01/371060801.db2.gz SYZBBCGTFOEPGW-AAEUAGOBSA-N 2 1 251.399 2.059 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccns2)C1 ZINC000639179473 371060805 /nfs/dbraw/zinc/06/08/05/371060805.db2.gz SYZBBCGTFOEPGW-AAEUAGOBSA-N 2 1 251.399 2.059 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccns2)C1 ZINC000639179473 371060809 /nfs/dbraw/zinc/06/08/09/371060809.db2.gz SYZBBCGTFOEPGW-AAEUAGOBSA-N 2 1 251.399 2.059 20 0 CEADMP Cc1nn(C)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358484035 371084963 /nfs/dbraw/zinc/08/49/63/371084963.db2.gz QGZOMARKTXLABZ-DZGCQCFKSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1nn(C)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358484035 371084966 /nfs/dbraw/zinc/08/49/66/371084966.db2.gz QGZOMARKTXLABZ-DZGCQCFKSA-N 2 1 290.455 2.471 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4nccnc4c3)C2)C1 ZINC000639203470 371090962 /nfs/dbraw/zinc/09/09/62/371090962.db2.gz JHOPWVLYRYTYKJ-KRWDZBQOSA-N 2 1 282.391 2.157 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4nccnc4c3)C2)C1 ZINC000639203470 371090969 /nfs/dbraw/zinc/09/09/69/371090969.db2.gz JHOPWVLYRYTYKJ-KRWDZBQOSA-N 2 1 282.391 2.157 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4nccnc4c3)C2)C1 ZINC000639203470 371090975 /nfs/dbraw/zinc/09/09/75/371090975.db2.gz JHOPWVLYRYTYKJ-KRWDZBQOSA-N 2 1 282.391 2.157 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4nccnc4c3)C2)C1 ZINC000639203470 371090978 /nfs/dbraw/zinc/09/09/78/371090978.db2.gz JHOPWVLYRYTYKJ-KRWDZBQOSA-N 2 1 282.391 2.157 20 0 CEADMP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000247934305 371146476 /nfs/dbraw/zinc/14/64/76/371146476.db2.gz CHCXKPWZQWZWSV-DZGCQCFKSA-N 2 1 275.396 2.006 20 0 CEADMP Cc1ncsc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247982327 371151881 /nfs/dbraw/zinc/15/18/81/371151881.db2.gz INCMNEFXJMBNJU-KBPBESRZSA-N 2 1 279.453 2.410 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247982327 371151885 /nfs/dbraw/zinc/15/18/85/371151885.db2.gz INCMNEFXJMBNJU-KBPBESRZSA-N 2 1 279.453 2.410 20 0 CEADMP Cc1ncsc1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247982327 371151890 /nfs/dbraw/zinc/15/18/90/371151890.db2.gz INCMNEFXJMBNJU-KBPBESRZSA-N 2 1 279.453 2.410 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(F)c2N)C1 ZINC000639257955 371157921 /nfs/dbraw/zinc/15/79/21/371157921.db2.gz VCDQUOMIYUAXAR-GFCCVEGCSA-N 2 1 265.376 2.229 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000247934305 371146467 /nfs/dbraw/zinc/14/64/67/371146467.db2.gz CHCXKPWZQWZWSV-DZGCQCFKSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000247934305 371146470 /nfs/dbraw/zinc/14/64/70/371146470.db2.gz CHCXKPWZQWZWSV-DZGCQCFKSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000247934305 371146474 /nfs/dbraw/zinc/14/64/74/371146474.db2.gz CHCXKPWZQWZWSV-DZGCQCFKSA-N 2 1 275.396 2.006 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248186263 371168888 /nfs/dbraw/zinc/16/88/88/371168888.db2.gz XKYBDXRDXUQGLV-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248186263 371168892 /nfs/dbraw/zinc/16/88/92/371168892.db2.gz XKYBDXRDXUQGLV-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cc(O)ccc3C2)CC1 ZINC000683723607 541848549 /nfs/dbraw/zinc/84/85/49/541848549.db2.gz UMSTWRIMWLTLEU-INIZCTEOSA-N 2 1 274.408 2.323 20 0 CEADMP CO[C@](C)(C[NH2+]CCC[N@@H+](C)CC(C)C)C1CC1 ZINC000639287825 371189366 /nfs/dbraw/zinc/18/93/66/371189366.db2.gz BVFWVTQSWWFVFR-OAHLLOKOSA-N 2 1 256.434 2.369 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358755697 371207062 /nfs/dbraw/zinc/20/70/62/371207062.db2.gz UHSKGLMDHIQOON-HNNXBMFYSA-N 2 1 287.411 2.372 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000248918039 371270202 /nfs/dbraw/zinc/27/02/02/371270202.db2.gz WGWJLPJVGAUPTC-WOOFSFRISA-N 2 1 266.429 2.262 20 0 CEADMP CO[C@@H]1CC[N@H+](CCCC2CCCC2)[C@H](C[NH3+])C1 ZINC000359047339 371317473 /nfs/dbraw/zinc/31/74/73/371317473.db2.gz SZDLNISFJPYMJJ-LSDHHAIUSA-N 2 1 254.418 2.395 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@H](C[NH3+])C1 ZINC000359047339 371317478 /nfs/dbraw/zinc/31/74/78/371317478.db2.gz SZDLNISFJPYMJJ-LSDHHAIUSA-N 2 1 254.418 2.395 20 0 CEADMP CC(C)[NH+](CCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000249752602 371360028 /nfs/dbraw/zinc/36/00/28/371360028.db2.gz RUNYVDMFMDTNHB-OWCLPIDISA-N 2 1 297.487 2.483 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H]1C ZINC000639511128 371375253 /nfs/dbraw/zinc/37/52/53/371375253.db2.gz MWDXRHFTTSHTLI-JFIYKMOQSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H]1C ZINC000639511128 371375257 /nfs/dbraw/zinc/37/52/57/371375257.db2.gz MWDXRHFTTSHTLI-JFIYKMOQSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H]1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000639511128 371375262 /nfs/dbraw/zinc/37/52/62/371375262.db2.gz MWDXRHFTTSHTLI-JFIYKMOQSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000639511128 371375269 /nfs/dbraw/zinc/37/52/69/371375269.db2.gz MWDXRHFTTSHTLI-JFIYKMOQSA-N 2 1 288.435 2.354 20 0 CEADMP c1ccc(C[C@H]2COCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359209610 371377014 /nfs/dbraw/zinc/37/70/14/371377014.db2.gz DBLWILWSOQOBBM-SFHVURJKSA-N 2 1 288.435 2.320 20 0 CEADMP c1ccc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000359217268 371380115 /nfs/dbraw/zinc/38/01/15/371380115.db2.gz KBVGPTMLALJQST-QGZVFWFLSA-N 2 1 274.408 2.450 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000250269057 371381218 /nfs/dbraw/zinc/38/12/18/371381218.db2.gz ZAPBOEVAQQLIPS-OWCLPIDISA-N 2 1 278.371 2.076 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CS1 ZINC000252102884 371432064 /nfs/dbraw/zinc/43/20/64/371432064.db2.gz IOZXQVGYBJYUNH-KZWUZSNJSA-N 2 1 254.443 2.485 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CS1 ZINC000252102884 371432068 /nfs/dbraw/zinc/43/20/68/371432068.db2.gz IOZXQVGYBJYUNH-KZWUZSNJSA-N 2 1 254.443 2.485 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000252512992 371452213 /nfs/dbraw/zinc/45/22/13/371452213.db2.gz GUXFTOSMOVGJJH-QPSCCSFWSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000252512992 371452217 /nfs/dbraw/zinc/45/22/17/371452217.db2.gz GUXFTOSMOVGJJH-QPSCCSFWSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000359375533 371452811 /nfs/dbraw/zinc/45/28/11/371452811.db2.gz GXXMINLUBSMUNT-OAGGEKHMSA-N 2 1 291.439 2.346 20 0 CEADMP c1ccc(C2CC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cc1 ZINC000252538501 371454821 /nfs/dbraw/zinc/45/48/21/371454821.db2.gz APZHUIFXSJCUNT-ZGUYJTEBSA-N 2 1 286.419 2.385 20 0 CEADMP c1ccc(C2CC([NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)cc1 ZINC000252538501 371454825 /nfs/dbraw/zinc/45/48/25/371454825.db2.gz APZHUIFXSJCUNT-ZGUYJTEBSA-N 2 1 286.419 2.385 20 0 CEADMP C[C@@H]1C[C@@H](NCCC[NH+]2CCCC[C@H]2C)C[N@H+]1C1CC1 ZINC000252713366 371472144 /nfs/dbraw/zinc/47/21/44/371472144.db2.gz OZJWDVAWEWQSPC-BZUAXINKSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@@H](NCCC[N@@H+]2CCCC[C@H]2C)C[NH+]1C1CC1 ZINC000252713366 371472146 /nfs/dbraw/zinc/47/21/46/371472146.db2.gz OZJWDVAWEWQSPC-BZUAXINKSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@@H](NCCC[N@H+]2CCCC[C@H]2C)C[NH+]1C1CC1 ZINC000252713366 371472148 /nfs/dbraw/zinc/47/21/48/371472148.db2.gz OZJWDVAWEWQSPC-BZUAXINKSA-N 2 1 279.472 2.466 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C12CCC2 ZINC000252714078 371472954 /nfs/dbraw/zinc/47/29/54/371472954.db2.gz QYRJQWGBMMERRN-ZQDZILKHSA-N 2 1 266.429 2.264 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C12CCC2 ZINC000252714078 371472961 /nfs/dbraw/zinc/47/29/61/371472961.db2.gz QYRJQWGBMMERRN-ZQDZILKHSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(O)CCCCCC1 ZINC000252715125 371473207 /nfs/dbraw/zinc/47/32/07/371473207.db2.gz URZNEMJHTXLYQZ-UONOGXRCSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)O1 ZINC000639682909 371491430 /nfs/dbraw/zinc/49/14/30/371491430.db2.gz DFKCALUFTIFTPG-ZBFHGGJFSA-N 2 1 275.396 2.161 20 0 CEADMP COc1ccnc(CN2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c1 ZINC000639749459 371541011 /nfs/dbraw/zinc/54/10/11/371541011.db2.gz RHYQXROGEWMMMO-HNNXBMFYSA-N 2 1 277.412 2.252 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccncc3F)C2)CC1 ZINC000639755879 371546522 /nfs/dbraw/zinc/54/65/22/371546522.db2.gz QAOMESNKGANQLE-UHFFFAOYSA-N 2 1 263.360 2.138 20 0 CEADMP Cc1cnccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758478 371547870 /nfs/dbraw/zinc/54/78/70/371547870.db2.gz UGYKIZRGVNUBLD-UHFFFAOYSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cccc([C@H](C)[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639760591 371548590 /nfs/dbraw/zinc/54/85/90/371548590.db2.gz GWGGIOUGLJCSON-RDJZCZTQSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639760591 371548603 /nfs/dbraw/zinc/54/86/03/371548603.db2.gz GWGGIOUGLJCSON-RDJZCZTQSA-N 2 1 276.424 2.445 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)CC1 ZINC000639760393 371548973 /nfs/dbraw/zinc/54/89/73/371548973.db2.gz WRKTVVFPIQHQGJ-INIZCTEOSA-N 3 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC2(CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000639760393 371548976 /nfs/dbraw/zinc/54/89/76/371548976.db2.gz WRKTVVFPIQHQGJ-INIZCTEOSA-N 3 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC2(CC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC000639760393 371548979 /nfs/dbraw/zinc/54/89/79/371548979.db2.gz WRKTVVFPIQHQGJ-INIZCTEOSA-N 3 1 279.472 2.279 20 0 CEADMP CN1CCCC[C@H]1CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760393 371548981 /nfs/dbraw/zinc/54/89/81/371548981.db2.gz WRKTVVFPIQHQGJ-INIZCTEOSA-N 2 1 279.472 2.279 20 0 CEADMP CN1CCCC[C@H]1CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760393 371548984 /nfs/dbraw/zinc/54/89/84/371548984.db2.gz WRKTVVFPIQHQGJ-INIZCTEOSA-N 2 1 279.472 2.279 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000639761332 371549088 /nfs/dbraw/zinc/54/90/88/371549088.db2.gz AMVKXHKHKYBHPX-GOSISDBHSA-N 2 1 290.451 2.316 20 0 CEADMP CCc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000639761134 371549227 /nfs/dbraw/zinc/54/92/27/371549227.db2.gz DLTQAJDEQVJBSE-QGZVFWFLSA-N 2 1 276.424 2.138 20 0 CEADMP CCc1ccc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000639761134 371549228 /nfs/dbraw/zinc/54/92/28/371549228.db2.gz DLTQAJDEQVJBSE-QGZVFWFLSA-N 2 1 276.424 2.138 20 0 CEADMP Cc1nnc([C@@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)o1 ZINC000639683427 371493589 /nfs/dbraw/zinc/49/35/89/371493589.db2.gz YUICNZNLLNRDHY-GFCCVEGCSA-N 2 1 287.367 2.046 20 0 CEADMP Cc1nnc([C@@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)o1 ZINC000639683427 371493594 /nfs/dbraw/zinc/49/35/94/371493594.db2.gz YUICNZNLLNRDHY-GFCCVEGCSA-N 2 1 287.367 2.046 20 0 CEADMP CC[N@@H+]1C[C@H](N[C@H](C)C[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000360008796 371498778 /nfs/dbraw/zinc/49/87/78/371498778.db2.gz ZBDNDMUOOAEBRC-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000360957123 371561600 /nfs/dbraw/zinc/56/16/00/371561600.db2.gz OGEWACKJMQQROV-JKSUJKDBSA-N 2 1 297.487 2.345 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc2c1CCC2 ZINC000261603680 371672589 /nfs/dbraw/zinc/67/25/89/371672589.db2.gz QWPJTADXMUDCHF-IAGOWNOFSA-N 2 1 256.393 2.217 20 0 CEADMP COc1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1OC ZINC000361107486 371651737 /nfs/dbraw/zinc/65/17/37/371651737.db2.gz PXQPTEHIRBQWOS-GJZGRUSLSA-N 2 1 290.407 2.230 20 0 CEADMP c1ccc(SCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261584898 371661956 /nfs/dbraw/zinc/66/19/56/371661956.db2.gz SPWHCKKEOHLTOF-UONOGXRCSA-N 2 1 262.422 2.320 20 0 CEADMP Clc1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261583961 371662584 /nfs/dbraw/zinc/66/25/84/371662584.db2.gz HOQJHUYNRREWAO-STQMWFEESA-N 2 1 280.799 2.260 20 0 CEADMP Clc1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261583961 371662591 /nfs/dbraw/zinc/66/25/91/371662591.db2.gz HOQJHUYNRREWAO-STQMWFEESA-N 2 1 280.799 2.260 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1ccccc1C(F)(F)F ZINC000261585379 371662899 /nfs/dbraw/zinc/66/28/99/371662899.db2.gz IJOIHZYLDGUXCW-UHFFFAOYSA-N 2 1 276.302 2.113 20 0 CEADMP CCOc1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261702356 371706593 /nfs/dbraw/zinc/70/65/93/371706593.db2.gz OJRGIHZDVQRIJG-YOEHRIQHSA-N 2 1 290.407 2.148 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261702356 371706597 /nfs/dbraw/zinc/70/65/97/371706597.db2.gz OJRGIHZDVQRIJG-YOEHRIQHSA-N 2 1 290.407 2.148 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)cn1 ZINC000261717634 371710909 /nfs/dbraw/zinc/71/09/09/371710909.db2.gz PSBUQKKFVXZVBR-DOTOQJQBSA-N 2 1 282.391 2.056 20 0 CEADMP CCC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984508 371712846 /nfs/dbraw/zinc/71/28/46/371712846.db2.gz WRTXSDPISOGOAU-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261738720 371715024 /nfs/dbraw/zinc/71/50/24/371715024.db2.gz LULYSSWQPONWRT-MRXNPFEDSA-N 2 1 278.396 2.135 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000361230009 371728513 /nfs/dbraw/zinc/72/85/13/371728513.db2.gz CXQODMCZGKNIHU-PMPSAXMXSA-N 2 1 296.842 2.488 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000361237688 371732374 /nfs/dbraw/zinc/73/23/74/371732374.db2.gz PYIIGMPASAVILU-UONOGXRCSA-N 2 1 265.401 2.373 20 0 CEADMP c1cnc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000261630793 371684166 /nfs/dbraw/zinc/68/41/66/371684166.db2.gz BEQFHHRDRQFGFL-CVEARBPZSA-N 2 1 267.376 2.276 20 0 CEADMP CCc1nc(N2CCC([C@H]3CCC[NH2+]3)CC2)cc(C)[nH+]1 ZINC000261674634 371699316 /nfs/dbraw/zinc/69/93/16/371699316.db2.gz GFCXGCMLLQEUIW-CQSZACIVSA-N 2 1 274.412 2.316 20 0 CEADMP Cc1ccsc1C[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000353321947 220026520 /nfs/dbraw/zinc/02/65/20/220026520.db2.gz YHWYHNBBSCFYFW-ZDUSSCGKSA-N 2 1 282.453 2.334 20 0 CEADMP Cc1ccsc1C[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000353321947 220026522 /nfs/dbraw/zinc/02/65/22/220026522.db2.gz YHWYHNBBSCFYFW-ZDUSSCGKSA-N 2 1 282.453 2.334 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261943932 371778726 /nfs/dbraw/zinc/77/87/26/371778726.db2.gz NCMNDEMAPJPVAZ-HUUCEWRRSA-N 2 1 284.407 2.350 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261943932 371778731 /nfs/dbraw/zinc/77/87/31/371778731.db2.gz NCMNDEMAPJPVAZ-HUUCEWRRSA-N 2 1 284.407 2.350 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccsc1 ZINC000262026735 371802802 /nfs/dbraw/zinc/80/28/02/371802802.db2.gz WRZQIBFWRLIZCJ-GHMZBOCLSA-N 2 1 276.409 2.307 20 0 CEADMP CC(C)([NH3+])C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000262048863 371812463 /nfs/dbraw/zinc/81/24/63/371812463.db2.gz ZJZCJRLXOLOHKZ-UHFFFAOYSA-N 2 1 275.396 2.074 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](n2cccn2)C1 ZINC000361591264 371958644 /nfs/dbraw/zinc/95/86/44/371958644.db2.gz MEWVNMNDHHPLKY-HUUCEWRRSA-N 2 1 262.401 2.004 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000361591264 371958653 /nfs/dbraw/zinc/95/86/53/371958653.db2.gz MEWVNMNDHHPLKY-HUUCEWRRSA-N 2 1 262.401 2.004 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000361591264 371958659 /nfs/dbraw/zinc/95/86/59/371958659.db2.gz MEWVNMNDHHPLKY-HUUCEWRRSA-N 2 1 262.401 2.004 20 0 CEADMP CCN(CC)C(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530630 372021247 /nfs/dbraw/zinc/02/12/47/372021247.db2.gz FHDHJBQHAKVQNB-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP CC[C@H](C)NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531448 372022521 /nfs/dbraw/zinc/02/25/21/372022521.db2.gz JIZYWNDLYSVBNV-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361717246 372036827 /nfs/dbraw/zinc/03/68/27/372036827.db2.gz BZYGWUYHNRCJBV-KGLIPLIRSA-N 2 1 292.427 2.125 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000361807465 372078963 /nfs/dbraw/zinc/07/89/63/372078963.db2.gz YXQGVMYTZZXUAV-QWHCGFSZSA-N 2 1 270.417 2.181 20 0 CEADMP CCC[C@]1(CO)CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000344278233 217131422 /nfs/dbraw/zinc/13/14/22/217131422.db2.gz FRCHFBKHKDNMBZ-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP CCC[C@]1(CO)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000344278233 217131425 /nfs/dbraw/zinc/13/14/25/217131425.db2.gz FRCHFBKHKDNMBZ-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP CCC[C@]1(CO)CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000344278233 217131427 /nfs/dbraw/zinc/13/14/27/217131427.db2.gz FRCHFBKHKDNMBZ-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000362099076 372220013 /nfs/dbraw/zinc/22/00/13/372220013.db2.gz OVYUVVGXPGHEFU-RRFJBIMHSA-N 2 1 277.412 2.327 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000362099076 372220024 /nfs/dbraw/zinc/22/00/24/372220024.db2.gz OVYUVVGXPGHEFU-RRFJBIMHSA-N 2 1 277.412 2.327 20 0 CEADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)s1 ZINC000268814952 372235632 /nfs/dbraw/zinc/23/56/32/372235632.db2.gz FYNPPQJELJPQOZ-CHWSQXEVSA-N 2 1 282.453 2.418 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCn2cnc3ccccc32)[C@@H](C)C1 ZINC000268811869 372236236 /nfs/dbraw/zinc/23/62/36/372236236.db2.gz JBENJJNDCNXJIA-GJZGRUSLSA-N 2 1 286.423 2.356 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccccc2F)CC[N@@H+]1C ZINC000268699956 372185614 /nfs/dbraw/zinc/18/56/14/372185614.db2.gz AWHVFYBBOCYKGH-CHWSQXEVSA-N 2 1 266.360 2.277 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccccc2F)CC[N@H+]1C ZINC000268699956 372185615 /nfs/dbraw/zinc/18/56/15/372185615.db2.gz AWHVFYBBOCYKGH-CHWSQXEVSA-N 2 1 266.360 2.277 20 0 CEADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268930435 372290394 /nfs/dbraw/zinc/29/03/94/372290394.db2.gz ZKBFLBABBHRUSI-YQQAZPJKSA-N 2 1 276.424 2.258 20 0 CEADMP CCCCOCCN1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000362188042 372263532 /nfs/dbraw/zinc/26/35/32/372263532.db2.gz RAPQHUGUKGUKME-HNNXBMFYSA-N 2 1 256.434 2.467 20 0 CEADMP CCCCOCC[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000362188042 372263537 /nfs/dbraw/zinc/26/35/37/372263537.db2.gz RAPQHUGUKGUKME-HNNXBMFYSA-N 2 1 256.434 2.467 20 0 CEADMP CCCCOCC[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000362188042 372263541 /nfs/dbraw/zinc/26/35/41/372263541.db2.gz RAPQHUGUKGUKME-HNNXBMFYSA-N 2 1 256.434 2.467 20 0 CEADMP CCCCOCC[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000362188042 372263544 /nfs/dbraw/zinc/26/35/44/372263544.db2.gz RAPQHUGUKGUKME-HNNXBMFYSA-N 2 1 256.434 2.467 20 0 CEADMP CCCCOCC[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000362188042 372263549 /nfs/dbraw/zinc/26/35/49/372263549.db2.gz RAPQHUGUKGUKME-HNNXBMFYSA-N 2 1 256.434 2.467 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000641803177 372748147 /nfs/dbraw/zinc/74/81/47/372748147.db2.gz AXYXKRDYQZJDJE-BIMULSAOSA-N 2 1 295.814 2.382 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000641803180 372748759 /nfs/dbraw/zinc/74/87/59/372748759.db2.gz AXYXKRDYQZJDJE-ZWKOPEQDSA-N 2 1 295.814 2.382 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000641803902 372748894 /nfs/dbraw/zinc/74/88/94/372748894.db2.gz FXLASIKTRCFUMX-ULXLPNHUSA-N 2 1 295.471 2.031 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1cccc2ccccc21 ZINC000641804031 372749467 /nfs/dbraw/zinc/74/94/67/372749467.db2.gz HHLRJXXLWDRQNX-HZPDHXFCSA-N 2 1 297.402 2.494 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)sn1 ZINC000641817974 372764258 /nfs/dbraw/zinc/76/42/58/372764258.db2.gz AQELXRAYHFCVLM-CYBMUJFWSA-N 2 1 265.426 2.355 20 0 CEADMP COc1cccc(C[N@H+]2CCCC23CC[NH+](C)CC3)n1 ZINC000365256537 372811345 /nfs/dbraw/zinc/81/13/45/372811345.db2.gz NYIDAHOPLZZQOV-UHFFFAOYSA-N 2 1 275.396 2.150 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000270545741 372836562 /nfs/dbraw/zinc/83/65/62/372836562.db2.gz YWTJCKWRHGXPLE-CYBMUJFWSA-N 2 1 273.380 2.425 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000353454338 220094210 /nfs/dbraw/zinc/09/42/10/220094210.db2.gz UVOKSNYXNVABJQ-CVEARBPZSA-N 2 1 295.471 2.145 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344639897 217258251 /nfs/dbraw/zinc/25/82/51/217258251.db2.gz HQUQABFUSMSWAX-KBPBESRZSA-N 2 1 297.487 2.390 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000365553962 372889980 /nfs/dbraw/zinc/88/99/80/372889980.db2.gz IQROYEJFFPOIGW-BBRMVZONSA-N 2 1 277.412 2.471 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000365553962 372889981 /nfs/dbraw/zinc/88/99/81/372889981.db2.gz IQROYEJFFPOIGW-BBRMVZONSA-N 2 1 277.412 2.471 20 0 CEADMP c1cc2[nH+]ccc(N3CC[C@H]4CC[NH2+][C@@H]4C3)c2s1 ZINC000643031371 372923822 /nfs/dbraw/zinc/92/38/22/372923822.db2.gz NYKPCKUPZQSVMK-ZYHUDNBSSA-N 2 1 259.378 2.485 20 0 CEADMP C(C[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1)[C@H]1CC[NH2+]C1 ZINC000643057489 372939171 /nfs/dbraw/zinc/93/91/71/372939171.db2.gz ARDKBBXIAMVEAU-TZMCWYRMSA-N 2 1 290.411 2.474 20 0 CEADMP C(C[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1)[C@H]1CC[NH2+]C1 ZINC000643057489 372939174 /nfs/dbraw/zinc/93/91/74/372939174.db2.gz ARDKBBXIAMVEAU-TZMCWYRMSA-N 2 1 290.411 2.474 20 0 CEADMP Cn1ncc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc21 ZINC000643318768 373050397 /nfs/dbraw/zinc/05/03/97/373050397.db2.gz CFBMZVAQZRVBJZ-JKSUJKDBSA-N 2 1 284.407 2.290 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000366725286 373113691 /nfs/dbraw/zinc/11/36/91/373113691.db2.gz RTTFTIJOSWUIIX-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366725286 373113697 /nfs/dbraw/zinc/11/36/97/373113697.db2.gz RTTFTIJOSWUIIX-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000366725286 373113705 /nfs/dbraw/zinc/11/37/05/373113705.db2.gz RTTFTIJOSWUIIX-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000366496997 373070908 /nfs/dbraw/zinc/07/09/08/373070908.db2.gz KZULXRKCRAQSFR-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000353560766 220157262 /nfs/dbraw/zinc/15/72/62/220157262.db2.gz IKZNMYIQGFGBIP-OAHLLOKOSA-N 2 1 283.460 2.227 20 0 CEADMP CO[C@H](CC[NH2+]Cc1c[nH+]ccc1N(C)C)C(F)(F)F ZINC000344850262 217333464 /nfs/dbraw/zinc/33/34/64/217333464.db2.gz DFVZPQPEFVAWPM-GFCCVEGCSA-N 2 1 291.317 2.205 20 0 CEADMP C[C@@H](NCC[NH2+]C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643507724 373169915 /nfs/dbraw/zinc/16/99/15/373169915.db2.gz NRCJOSRTZCLHIY-NVXWUHKLSA-N 2 1 287.451 2.239 20 0 CEADMP Cc1cc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cn2cc[nH+]c12 ZINC000333542331 205424193 /nfs/dbraw/zinc/42/41/93/205424193.db2.gz IBCSIIQWFWDMBH-CHWSQXEVSA-N 2 1 287.367 2.034 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000643455600 373125800 /nfs/dbraw/zinc/12/58/00/373125800.db2.gz CKIOGHIDROYNLA-CHWSQXEVSA-N 2 1 262.353 2.165 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCO[C@@H]2CCC[C@H]21 ZINC000366936334 373130052 /nfs/dbraw/zinc/13/00/52/373130052.db2.gz NMAZBLLTZVJMPC-RRFJBIMHSA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000366936334 373130062 /nfs/dbraw/zinc/13/00/62/373130062.db2.gz NMAZBLLTZVJMPC-RRFJBIMHSA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000366936334 373130069 /nfs/dbraw/zinc/13/00/69/373130069.db2.gz NMAZBLLTZVJMPC-RRFJBIMHSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccncc1 ZINC000643460237 373130797 /nfs/dbraw/zinc/13/07/97/373130797.db2.gz DEZNRLUIIOKDIX-NWDGAFQWSA-N 2 1 256.353 2.343 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1C ZINC000643464332 373132250 /nfs/dbraw/zinc/13/22/50/373132250.db2.gz GFEAJNAAFVAFBP-CABCVRRESA-N 2 1 264.417 2.269 20 0 CEADMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201812 373140693 /nfs/dbraw/zinc/14/06/93/373140693.db2.gz VWUIAPNLGFUAKD-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC1(O)CCC([NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000643474270 373143161 /nfs/dbraw/zinc/14/31/61/373143161.db2.gz ZOIPIKWIGOAZIP-XIKARTHZSA-N 2 1 263.385 2.228 20 0 CEADMP CSC1(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000368021298 373212730 /nfs/dbraw/zinc/21/27/30/373212730.db2.gz YMHALYCFDVUOMB-HZSPNIEDSA-N 2 1 266.454 2.298 20 0 CEADMP CSC1(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000368021298 373212735 /nfs/dbraw/zinc/21/27/35/373212735.db2.gz YMHALYCFDVUOMB-HZSPNIEDSA-N 2 1 266.454 2.298 20 0 CEADMP CSC1(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000368021298 373212741 /nfs/dbraw/zinc/21/27/41/373212741.db2.gz YMHALYCFDVUOMB-HZSPNIEDSA-N 2 1 266.454 2.298 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000353572528 220163560 /nfs/dbraw/zinc/16/35/60/220163560.db2.gz SIRUQDFIQUIBHE-CQSZACIVSA-N 2 1 255.450 2.178 20 0 CEADMP C[C@H]([NH3+])CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000643527756 373185485 /nfs/dbraw/zinc/18/54/85/373185485.db2.gz RYOPVLGVTRLHDM-LEUOFYLZSA-N 2 1 287.451 2.224 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000367881838 373199163 /nfs/dbraw/zinc/19/91/63/373199163.db2.gz VPWBFZHUYKLXSL-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000367881838 373199167 /nfs/dbraw/zinc/19/91/67/373199167.db2.gz VPWBFZHUYKLXSL-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000367881838 373199171 /nfs/dbraw/zinc/19/91/71/373199171.db2.gz VPWBFZHUYKLXSL-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000367881838 373199176 /nfs/dbraw/zinc/19/91/76/373199176.db2.gz VPWBFZHUYKLXSL-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1nc(C(C)(C)C)no1)CC[NH2+]CC2 ZINC000643895280 373298626 /nfs/dbraw/zinc/29/86/26/373298626.db2.gz FDKANNUFLLZIBD-LBPRGKRZSA-N 2 1 292.427 2.331 20 0 CEADMP CCOc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)nc1 ZINC000643973750 373316400 /nfs/dbraw/zinc/31/64/00/373316400.db2.gz CSTDVBWSKXPMFG-AWEZNQCLSA-N 2 1 289.423 2.444 20 0 CEADMP C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272187228 373349160 /nfs/dbraw/zinc/34/91/60/373349160.db2.gz LLOPRQAKLTVYNJ-WBVHZDCISA-N 2 1 298.434 2.420 20 0 CEADMP C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272187228 373349174 /nfs/dbraw/zinc/34/91/74/373349174.db2.gz LLOPRQAKLTVYNJ-WBVHZDCISA-N 2 1 298.434 2.420 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000644531481 373515947 /nfs/dbraw/zinc/51/59/47/373515947.db2.gz ZDKOQBQJUVNCGP-RYUDHWBXSA-N 2 1 282.350 2.010 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683927081 541889339 /nfs/dbraw/zinc/88/93/39/541889339.db2.gz QHQUHOZSOBJGIT-UHFFFAOYSA-N 2 1 254.337 2.463 20 0 CEADMP c1cc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)nc2[nH]1 ZINC000353633399 220210750 /nfs/dbraw/zinc/21/07/50/220210750.db2.gz XKJRDGUYMOASBV-ZFWWWQNUSA-N 2 1 270.380 2.279 20 0 CEADMP c1cc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)nc2[nH]1 ZINC000353633399 220210752 /nfs/dbraw/zinc/21/07/52/220210752.db2.gz XKJRDGUYMOASBV-ZFWWWQNUSA-N 2 1 270.380 2.279 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000257682664 220220876 /nfs/dbraw/zinc/22/08/76/220220876.db2.gz LKQUTGIGYIJNNO-INIZCTEOSA-N 2 1 260.381 2.271 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000257682664 220220882 /nfs/dbraw/zinc/22/08/82/220220882.db2.gz LKQUTGIGYIJNNO-INIZCTEOSA-N 2 1 260.381 2.271 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(NCC[NH+]2CCC(C)CC2)n1 ZINC000370612812 373697894 /nfs/dbraw/zinc/69/78/94/373697894.db2.gz RIVRYKGZCWNNHY-UHFFFAOYSA-N 2 1 299.422 2.141 20 0 CEADMP C1=CO[C@H](C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000370692932 373719613 /nfs/dbraw/zinc/71/96/13/373719613.db2.gz WCEOUEONDAMZIE-UGUYLWEFSA-N 2 1 262.397 2.095 20 0 CEADMP C1=CO[C@H](C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000370692932 373719616 /nfs/dbraw/zinc/71/96/16/373719616.db2.gz WCEOUEONDAMZIE-UGUYLWEFSA-N 2 1 262.397 2.095 20 0 CEADMP C1=CO[C@H](C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000370692932 373719622 /nfs/dbraw/zinc/71/96/22/373719622.db2.gz WCEOUEONDAMZIE-UGUYLWEFSA-N 2 1 262.397 2.095 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000272966572 373737990 /nfs/dbraw/zinc/73/79/90/373737990.db2.gz BJDSHRLZRKBEIM-AWEZNQCLSA-N 2 1 295.333 2.183 20 0 CEADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289548819 197399186 /nfs/dbraw/zinc/39/91/86/197399186.db2.gz DBXKAIYPGKZTEM-DLBZAZTESA-N 2 1 276.424 2.428 20 0 CEADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289548819 197399188 /nfs/dbraw/zinc/39/91/88/197399188.db2.gz DBXKAIYPGKZTEM-DLBZAZTESA-N 2 1 276.424 2.428 20 0 CEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCn3ccnc3)C2)c1 ZINC000371206108 373813259 /nfs/dbraw/zinc/81/32/59/373813259.db2.gz XEJCRHBEGCOXCO-HNNXBMFYSA-N 2 1 285.395 2.021 20 0 CEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCn3ccnc3)C2)c1 ZINC000371206108 373813263 /nfs/dbraw/zinc/81/32/63/373813263.db2.gz XEJCRHBEGCOXCO-HNNXBMFYSA-N 2 1 285.395 2.021 20 0 CEADMP CC(C)([NH3+])CC(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000371264425 373824350 /nfs/dbraw/zinc/82/43/50/373824350.db2.gz MRUIZIHXBVNFKS-ZDUSSCGKSA-N 2 1 281.444 2.027 20 0 CEADMP Cc1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000274322208 373878986 /nfs/dbraw/zinc/87/89/86/373878986.db2.gz CYJDPZIAEWRKEB-OKILXGFUSA-N 2 1 263.385 2.301 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccs3)C2)CC1 ZINC000371337985 373847236 /nfs/dbraw/zinc/84/72/36/373847236.db2.gz XRODNYKXZWPENU-OAHLLOKOSA-N 2 1 293.480 2.348 20 0 CEADMP Cc1cc(N2CC[NH+](Cc3ccco3)CC2)cc[nH+]1 ZINC000274725990 374028322 /nfs/dbraw/zinc/02/83/22/374028322.db2.gz GGMPYGWVPCRZEH-UHFFFAOYSA-N 2 1 257.337 2.305 20 0 CEADMP Cc1ccncc1CCC[NH+]1CCN(CC(F)F)CC1 ZINC000275196231 374182824 /nfs/dbraw/zinc/18/28/24/374182824.db2.gz FEOPEGZGENVFGM-UHFFFAOYSA-N 2 1 283.366 2.205 20 0 CEADMP CN1CC[C@@H]2CC[N@H+](CCOc3ccc(F)cc3)[C@@H]2C1 ZINC000373140343 374277955 /nfs/dbraw/zinc/27/79/55/374277955.db2.gz OJQBCVADZONRHZ-CZUORRHYSA-N 2 1 278.371 2.231 20 0 CEADMP CN1CC[C@@H]2CC[N@@H+](CCOc3ccc(F)cc3)[C@@H]2C1 ZINC000373140343 374277962 /nfs/dbraw/zinc/27/79/62/374277962.db2.gz OJQBCVADZONRHZ-CZUORRHYSA-N 2 1 278.371 2.231 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(-n2cccn2)cc1 ZINC000276736998 374284435 /nfs/dbraw/zinc/28/44/35/374284435.db2.gz YRAFBFXZYICBHM-CQSZACIVSA-N 2 1 295.390 2.499 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)CC1 ZINC000277092245 374400683 /nfs/dbraw/zinc/40/06/83/374400683.db2.gz FZRADYWTJXCLMX-MRXNPFEDSA-N 2 1 289.423 2.431 20 0 CEADMP CCC[C@H]([NH3+])C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000374460450 374576776 /nfs/dbraw/zinc/57/67/76/374576776.db2.gz HJLQKTMTVFVERB-KBPBESRZSA-N 2 1 292.427 2.297 20 0 CEADMP F[C@@]1(c2ccccc2)CCN(CCn2ccnc2)C1 ZINC000374521151 374588532 /nfs/dbraw/zinc/58/85/32/374588532.db2.gz OQMQYAUHFYSRBI-HNNXBMFYSA-N 2 1 259.328 2.454 20 0 CEADMP CCn1cc(CC[N@H+](C2CC2)C2CC[NH+](CC)CC2)cn1 ZINC000375679571 374668772 /nfs/dbraw/zinc/66/87/72/374668772.db2.gz XEXYGOSQIXFEIX-UHFFFAOYSA-N 2 1 290.455 2.394 20 0 CEADMP CCn1cc(CC[N@@H+](C2CC2)C2CC[NH+](CC)CC2)cn1 ZINC000375679571 374668780 /nfs/dbraw/zinc/66/87/80/374668780.db2.gz XEXYGOSQIXFEIX-UHFFFAOYSA-N 2 1 290.455 2.394 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000375892368 374689963 /nfs/dbraw/zinc/68/99/63/374689963.db2.gz YMJLZHZHOYKCDG-OAGGEKHMSA-N 3 1 279.472 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)[C@H]2CCC[C@@H]21 ZINC000375892368 374689967 /nfs/dbraw/zinc/68/99/67/374689967.db2.gz YMJLZHZHOYKCDG-OAGGEKHMSA-N 2 1 279.472 2.181 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000278165388 374737859 /nfs/dbraw/zinc/73/78/59/374737859.db2.gz ATGWBOKVZGWSNQ-IXDOHACOSA-N 2 1 274.408 2.245 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC(C)(C)C)C2)CC1 ZINC000377708275 374929019 /nfs/dbraw/zinc/92/90/19/374929019.db2.gz WZTMUYUMNZLJEC-OAHLLOKOSA-N 2 1 267.461 2.134 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC(C)(C)C)C2)CC1 ZINC000377708275 374929029 /nfs/dbraw/zinc/92/90/29/374929029.db2.gz WZTMUYUMNZLJEC-OAHLLOKOSA-N 2 1 267.461 2.134 20 0 CEADMP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261809204 296225055 /nfs/dbraw/zinc/22/50/55/296225055.db2.gz ZNNOCONXTSASBA-GXTWGEPZSA-N 2 1 295.377 2.005 20 0 CEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@H]3CCCC[C@H]3O)C2)c1 ZINC000378321693 375069664 /nfs/dbraw/zinc/06/96/64/375069664.db2.gz BHXCFATUZGKADV-HRCADAONSA-N 2 1 289.423 2.427 20 0 CEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@H]3CCCC[C@H]3O)C2)c1 ZINC000378321693 375069672 /nfs/dbraw/zinc/06/96/72/375069672.db2.gz BHXCFATUZGKADV-HRCADAONSA-N 2 1 289.423 2.427 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000382343632 375185118 /nfs/dbraw/zinc/18/51/18/375185118.db2.gz CRKQDJYTNXQCSD-IJLUTSLNSA-N 2 1 280.334 2.028 20 0 CEADMP COC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280595163 375255764 /nfs/dbraw/zinc/25/57/64/375255764.db2.gz WUESSOILDXMFMR-BHYGNILZSA-N 2 1 274.408 2.085 20 0 CEADMP COC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280595163 375255772 /nfs/dbraw/zinc/25/57/72/375255772.db2.gz WUESSOILDXMFMR-BHYGNILZSA-N 2 1 274.408 2.085 20 0 CEADMP COC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280595163 375255781 /nfs/dbraw/zinc/25/57/81/375255781.db2.gz WUESSOILDXMFMR-BHYGNILZSA-N 2 1 274.408 2.085 20 0 CEADMP C[NH2+]CCC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000384138047 375207841 /nfs/dbraw/zinc/20/78/41/375207841.db2.gz XKXQJPBGLAOXTM-INIZCTEOSA-N 2 1 262.397 2.135 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000387715637 375279020 /nfs/dbraw/zinc/27/90/20/375279020.db2.gz ZSJOGFCTJZITEL-DKUMPPAJSA-N 2 1 295.471 2.142 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2cncc(Br)c2)C1 ZINC000389180312 375297832 /nfs/dbraw/zinc/29/78/32/375297832.db2.gz QEAZGXHOJAOGKY-LBPRGKRZSA-N 2 1 284.201 2.028 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000389857769 375308705 /nfs/dbraw/zinc/30/87/05/375308705.db2.gz CLBXZHIDFUHUHO-KBAYOESNSA-N 2 1 287.451 2.096 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000389857769 375308709 /nfs/dbraw/zinc/30/87/09/375308709.db2.gz CLBXZHIDFUHUHO-KBAYOESNSA-N 2 1 287.451 2.096 20 0 CEADMP C[C@H](NCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000386903316 375269402 /nfs/dbraw/zinc/26/94/02/375269402.db2.gz OZGSRHJAFKWGGQ-RDJZCZTQSA-N 2 1 275.440 2.239 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399074253 375356878 /nfs/dbraw/zinc/35/68/78/375356878.db2.gz OUHOZUXHYLHRJB-XYVMCAHJSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@@H](C[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000399510778 375364415 /nfs/dbraw/zinc/36/44/15/375364415.db2.gz NCZDMPOKUFYOJD-GXTWGEPZSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000399510778 375364418 /nfs/dbraw/zinc/36/44/18/375364418.db2.gz NCZDMPOKUFYOJD-GXTWGEPZSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@@H](C[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000399510778 375364423 /nfs/dbraw/zinc/36/44/23/375364423.db2.gz NCZDMPOKUFYOJD-GXTWGEPZSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@@H](C[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000399510778 375364427 /nfs/dbraw/zinc/36/44/27/375364427.db2.gz NCZDMPOKUFYOJD-GXTWGEPZSA-N 2 1 256.434 2.056 20 0 CEADMP Cc1ccc(F)cc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282346835 375463106 /nfs/dbraw/zinc/46/31/06/375463106.db2.gz MNRQHTSZGJFJSO-UHFFFAOYSA-N 2 1 293.430 2.250 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000414254312 375805150 /nfs/dbraw/zinc/80/51/50/375805150.db2.gz ZWPSWYRJSCCAQI-HNKHHVNMSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)C[C@H](N)c1noc([C@@H]2CCCN2C2CC2)n1 ZINC000414622874 375883176 /nfs/dbraw/zinc/88/31/76/375883176.db2.gz SXRZETMUYPZRCR-RYUDHWBXSA-N 2 1 264.373 2.415 20 0 CEADMP COCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCSC1 ZINC000414760218 375953626 /nfs/dbraw/zinc/95/36/26/375953626.db2.gz GRIWCEVPWBXPQO-RBSFLKMASA-N 2 1 286.485 2.219 20 0 CEADMP CCc1nc(NCCC[N@H+](C)C(C)C)cc(C)[nH+]1 ZINC000286323280 375912466 /nfs/dbraw/zinc/91/24/66/375912466.db2.gz ZXNYFTPLSBRFJK-UHFFFAOYSA-N 2 1 250.390 2.490 20 0 CEADMP CCc1nc(NCCC[N@@H+](C)C(C)C)cc(C)[nH+]1 ZINC000286323280 375912473 /nfs/dbraw/zinc/91/24/73/375912473.db2.gz ZXNYFTPLSBRFJK-UHFFFAOYSA-N 2 1 250.390 2.490 20 0 CEADMP COC(=O)C1([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)CCCCC1 ZINC000414697698 375926191 /nfs/dbraw/zinc/92/61/91/375926191.db2.gz QBJNZYTVXFZHES-ZIAGYGMSSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)CCC2CCOCC2)CC[NH2+]1 ZINC000414715320 375936810 /nfs/dbraw/zinc/93/68/10/375936810.db2.gz WHVNCDJNIRJQJG-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](CCC[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000414732926 375944224 /nfs/dbraw/zinc/94/42/24/375944224.db2.gz JAUWKTCWZHZBSJ-DOTOQJQBSA-N 3 1 275.440 2.226 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC[NH2+]C(C)(C)C)C[C@@H]1C ZINC000414743743 375946943 /nfs/dbraw/zinc/94/69/43/375946943.db2.gz OQNNZCNJIWVDSC-KBPBESRZSA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]C1CCN(c2ccccn2)CC1 ZINC000414808179 375993561 /nfs/dbraw/zinc/99/35/61/375993561.db2.gz DPIVRNTVHMJQJJ-OAHLLOKOSA-N 2 1 276.428 2.158 20 0 CEADMP c1c(C[NH2+]C[C@H]2CCC[NH2+]C2)[nH]nc1-c1ccccc1 ZINC000414821311 376009588 /nfs/dbraw/zinc/00/95/88/376009588.db2.gz BAFKTXVRXVZXOW-ZDUSSCGKSA-N 2 1 270.380 2.166 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@H](C[NH3+])CC(C)C)CC1 ZINC000414855912 376011278 /nfs/dbraw/zinc/01/12/78/376011278.db2.gz XWFKDCFYWAYVIF-RUXDESIVSA-N 2 1 270.417 2.071 20 0 CEADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000415970053 376030041 /nfs/dbraw/zinc/03/00/41/376030041.db2.gz GSWLYURMOGVELI-WFASDCNBSA-N 2 1 290.411 2.010 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414802233 375986413 /nfs/dbraw/zinc/98/64/13/375986413.db2.gz VFIUTNQPUFMNKU-SJORKVTESA-N 2 1 292.423 2.317 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000414804018 375989851 /nfs/dbraw/zinc/98/98/51/375989851.db2.gz DPSGQPADGYUOGU-UHFFFAOYSA-N 2 1 264.369 2.080 20 0 CEADMP C[C@@H](c1ccccc1Cl)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261873629 296238889 /nfs/dbraw/zinc/23/88/89/296238889.db2.gz ZKQQQIVCGYHNHG-UONOGXRCSA-N 2 1 293.842 2.381 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)CC(C)C ZINC000417355246 376186599 /nfs/dbraw/zinc/18/65/99/376186599.db2.gz FOJOOOSNGBFHOQ-LJISPDSOSA-N 2 1 256.434 2.366 20 0 CEADMP CC[C@@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)OC ZINC000419296257 376432512 /nfs/dbraw/zinc/43/25/12/376432512.db2.gz RSJFDSIFLRNURV-KSZLIROESA-N 2 1 288.435 2.475 20 0 CEADMP CC[C@@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC000419296257 376432519 /nfs/dbraw/zinc/43/25/19/376432519.db2.gz RSJFDSIFLRNURV-KSZLIROESA-N 2 1 288.435 2.475 20 0 CEADMP CC[C@@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC000419296257 376432527 /nfs/dbraw/zinc/43/25/27/376432527.db2.gz RSJFDSIFLRNURV-KSZLIROESA-N 2 1 288.435 2.475 20 0 CEADMP C[C@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000556822597 376498022 /nfs/dbraw/zinc/49/80/22/376498022.db2.gz IKINIYWLMWAYGQ-QXSJWSMHSA-N 2 1 295.471 2.190 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CCCO1 ZINC000556937459 376520027 /nfs/dbraw/zinc/52/00/27/376520027.db2.gz WHRNSXFLBNTPJK-QKPAOTATSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CCCO1 ZINC000556937459 376520032 /nfs/dbraw/zinc/52/00/32/376520032.db2.gz WHRNSXFLBNTPJK-QKPAOTATSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](CCCOCc2ccccc2)CC[C@@H]1[NH3+] ZINC000309851937 376606344 /nfs/dbraw/zinc/60/63/44/376606344.db2.gz JTPFAZDQSATAQI-ZBFHGGJFSA-N 2 1 262.397 2.262 20 0 CEADMP Cc1nc(NC[C@H]2[NH2+]CCCC2(C)C)c(C)c(C)[nH+]1 ZINC000420246180 376654801 /nfs/dbraw/zinc/65/48/01/376654801.db2.gz RWNABRPPEHOCKM-CYBMUJFWSA-N 2 1 262.401 2.014 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC1CC[NH+](C2CC2)CC1 ZINC000312707857 376726204 /nfs/dbraw/zinc/72/62/04/376726204.db2.gz GZENOSTVFWTVQY-HNNXBMFYSA-N 2 1 279.472 2.467 20 0 CEADMP COc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000290320839 376731234 /nfs/dbraw/zinc/73/12/34/376731234.db2.gz CYOXPQBRPFFGEP-ZFWWWQNUSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000290320839 376731246 /nfs/dbraw/zinc/73/12/46/376731246.db2.gz CYOXPQBRPFFGEP-ZFWWWQNUSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000290320839 376731255 /nfs/dbraw/zinc/73/12/55/376731255.db2.gz CYOXPQBRPFFGEP-ZFWWWQNUSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000290320839 376731259 /nfs/dbraw/zinc/73/12/59/376731259.db2.gz CYOXPQBRPFFGEP-ZFWWWQNUSA-N 2 1 275.396 2.006 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(N(C)C)s1 ZINC000290390611 376757888 /nfs/dbraw/zinc/75/78/88/376757888.db2.gz ITMASPCGAOKIIB-UHFFFAOYSA-N 2 1 293.440 2.236 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(N(C)C)s1 ZINC000290390611 376757891 /nfs/dbraw/zinc/75/78/91/376757891.db2.gz ITMASPCGAOKIIB-UHFFFAOYSA-N 2 1 293.440 2.236 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ncccc2F)[C@H]2CCC[C@H]21 ZINC000560537865 376762956 /nfs/dbraw/zinc/76/29/56/376762956.db2.gz URDBXTDNCIFDNO-OSAQELSMSA-N 2 1 263.360 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ncccc2F)[C@H]2CCC[C@H]21 ZINC000560537865 376762964 /nfs/dbraw/zinc/76/29/64/376762964.db2.gz URDBXTDNCIFDNO-OSAQELSMSA-N 2 1 263.360 2.183 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)C[C@H](CC)O1 ZINC000420947399 376745898 /nfs/dbraw/zinc/74/58/98/376745898.db2.gz CSEVVPJMYHNZLB-GASCZTMLSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@@H]1C[N@H+](CCCn2cc[nH+]c2C)C[C@H](CC)O1 ZINC000420947399 376745903 /nfs/dbraw/zinc/74/59/03/376745903.db2.gz CSEVVPJMYHNZLB-GASCZTMLSA-N 2 1 265.401 2.471 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(O)cc2)C1 ZINC000685470675 542147465 /nfs/dbraw/zinc/14/74/65/542147465.db2.gz HNSREMHYHHEPMV-GDBMZVCRSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(O)cc2)C1 ZINC000685470675 542147466 /nfs/dbraw/zinc/14/74/66/542147466.db2.gz HNSREMHYHHEPMV-GDBMZVCRSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(O)cc2)C1 ZINC000685470675 542147469 /nfs/dbraw/zinc/14/74/69/542147469.db2.gz HNSREMHYHHEPMV-GDBMZVCRSA-N 2 1 260.381 2.308 20 0 CEADMP Cc1ccc(O)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000290512778 376814629 /nfs/dbraw/zinc/81/46/29/376814629.db2.gz PQGKQMKNAPBRNZ-UKRRQHHQSA-N 2 1 275.396 2.012 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)n1 ZINC000290512778 376814637 /nfs/dbraw/zinc/81/46/37/376814637.db2.gz PQGKQMKNAPBRNZ-UKRRQHHQSA-N 2 1 275.396 2.012 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)n1 ZINC000290512778 376814642 /nfs/dbraw/zinc/81/46/42/376814642.db2.gz PQGKQMKNAPBRNZ-UKRRQHHQSA-N 2 1 275.396 2.012 20 0 CEADMP COC1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCCCC1 ZINC000319261231 376815440 /nfs/dbraw/zinc/81/54/40/376815440.db2.gz ZJAFYHKBMMBUKC-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP c1[nH]c2nccnc2c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000290559546 376832985 /nfs/dbraw/zinc/83/29/85/376832985.db2.gz XLEVSZPMHWRPMH-CQSZACIVSA-N 2 1 299.422 2.266 20 0 CEADMP c1[nH]c2nccnc2c1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000290559546 376832990 /nfs/dbraw/zinc/83/29/90/376832990.db2.gz XLEVSZPMHWRPMH-CQSZACIVSA-N 2 1 299.422 2.266 20 0 CEADMP COC(=O)c1sccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000328363102 376850057 /nfs/dbraw/zinc/85/00/57/376850057.db2.gz BRIGPUZZMZVDAS-UHFFFAOYSA-N 2 1 296.436 2.308 20 0 CEADMP COc1ccc(OCCC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422899253 376856375 /nfs/dbraw/zinc/85/63/75/376856375.db2.gz OANPKQNPGJDZSU-CJNGLKHVSA-N 2 1 278.396 2.194 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000422961001 376886211 /nfs/dbraw/zinc/88/62/11/376886211.db2.gz AKSYBXZFZFOYQD-OWCLPIDISA-N 2 1 291.439 2.394 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1ccco1 ZINC000422961364 376886397 /nfs/dbraw/zinc/88/63/97/376886397.db2.gz BLUBYOHQQSTCEE-MGPQQGTHSA-N 2 1 265.401 2.132 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422961391 376886726 /nfs/dbraw/zinc/88/67/26/376886726.db2.gz BPYWWUGJACOMFA-DOTOQJQBSA-N 2 1 277.456 2.265 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000422960319 376887004 /nfs/dbraw/zinc/88/70/04/376887004.db2.gz VTZNDDYCAPOXOU-MRXNPFEDSA-N 3 1 297.487 2.129 20 0 CEADMP C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000423078655 376972466 /nfs/dbraw/zinc/97/24/66/376972466.db2.gz OWPCSUUBCGXIQY-VNQPRFMTSA-N 2 1 268.445 2.438 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000423080009 376974923 /nfs/dbraw/zinc/97/49/23/376974923.db2.gz ZDHIHOXYOUZZIX-OSMBCOQSSA-N 2 1 292.398 2.022 20 0 CEADMP C[C@@H](NC[C@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000423082266 376975024 /nfs/dbraw/zinc/97/50/24/376975024.db2.gz CURPALAVNFZWDL-RBSFLKMASA-N 2 1 267.461 2.227 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000562478195 376907801 /nfs/dbraw/zinc/90/78/01/376907801.db2.gz CIPQXQXDSXBECO-JKSUJKDBSA-N 2 1 280.387 2.275 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422994831 376909436 /nfs/dbraw/zinc/90/94/36/376909436.db2.gz IPVMMYNOIXOULM-BRWVUGGUSA-N 3 1 281.488 2.462 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422994831 376909444 /nfs/dbraw/zinc/90/94/44/376909444.db2.gz IPVMMYNOIXOULM-BRWVUGGUSA-N 2 1 281.488 2.462 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422994831 376909450 /nfs/dbraw/zinc/90/94/50/376909450.db2.gz IPVMMYNOIXOULM-BRWVUGGUSA-N 2 1 281.488 2.462 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422996354 376912370 /nfs/dbraw/zinc/91/23/70/376912370.db2.gz LMFUSZXESUJHQD-XHSDSOJGSA-N 2 1 267.461 2.085 20 0 CEADMP CC[C@@H]([NH2+]CCOCc1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422996485 376913501 /nfs/dbraw/zinc/91/35/01/376913501.db2.gz SVILZJSNMTZJFV-SJORKVTESA-N 2 1 292.423 2.332 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000423000906 376920318 /nfs/dbraw/zinc/92/03/18/376920318.db2.gz WEJUGMIEGIKAGY-UYSNPLJNSA-N 3 1 267.461 2.356 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000423000906 376920325 /nfs/dbraw/zinc/92/03/25/376920325.db2.gz WEJUGMIEGIKAGY-UYSNPLJNSA-N 3 1 267.461 2.356 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000423004057 376924291 /nfs/dbraw/zinc/92/42/91/376924291.db2.gz IZROXSOUDAVRNQ-LSDHHAIUSA-N 3 1 255.450 2.212 20 0 CEADMP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423023571 376938567 /nfs/dbraw/zinc/93/85/67/376938567.db2.gz KANSWBVTJKBCSO-KFWWJZLASA-N 2 1 292.423 2.298 20 0 CEADMP C[NH+](C)CC1(CN[C@H]2CCCC[C@@H]2C[NH3+])CCCC1 ZINC000423040247 376945432 /nfs/dbraw/zinc/94/54/32/376945432.db2.gz STISNYDRJBGECF-CABCVRRESA-N 2 1 267.461 2.216 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1nccs1 ZINC000423041149 376946143 /nfs/dbraw/zinc/94/61/43/376946143.db2.gz WFOWEQHZMIYJRX-UWVGGRQHSA-N 2 1 262.382 2.405 20 0 CEADMP C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000423078647 376971064 /nfs/dbraw/zinc/97/10/64/376971064.db2.gz OWPCSUUBCGXIQY-CWRNSKLLSA-N 2 1 268.445 2.438 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423120120 377014857 /nfs/dbraw/zinc/01/48/57/377014857.db2.gz GKUVVCKRNCUMSF-MVJTYMMSSA-N 2 1 287.451 2.380 20 0 CEADMP Oc1cccnc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000562901370 377019776 /nfs/dbraw/zinc/01/97/76/377019776.db2.gz LCWGCFOLOHKQCP-CZUORRHYSA-N 2 1 287.407 2.236 20 0 CEADMP Oc1cccnc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000562901370 377019786 /nfs/dbraw/zinc/01/97/86/377019786.db2.gz LCWGCFOLOHKQCP-CZUORRHYSA-N 2 1 287.407 2.236 20 0 CEADMP Oc1cccnc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000562901370 377019794 /nfs/dbraw/zinc/01/97/94/377019794.db2.gz LCWGCFOLOHKQCP-CZUORRHYSA-N 2 1 287.407 2.236 20 0 CEADMP CN(C)c1cccnc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423131170 377030582 /nfs/dbraw/zinc/03/05/82/377030582.db2.gz ZLHRJUTYDDDODX-RBSFLKMASA-N 2 1 288.439 2.158 20 0 CEADMP COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423136897 377035534 /nfs/dbraw/zinc/03/55/34/377035534.db2.gz ZRYQIKGVKFZJKQ-OAGGEKHMSA-N 2 1 298.471 2.186 20 0 CEADMP COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423136899 377035602 /nfs/dbraw/zinc/03/56/02/377035602.db2.gz ZRYQIKGVKFZJKQ-XHSDSOJGSA-N 2 1 298.471 2.186 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423144563 377044134 /nfs/dbraw/zinc/04/41/34/377044134.db2.gz YYVUEJVSZLFRSN-NFOMZHRRSA-N 3 1 255.450 2.214 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423144563 377044144 /nfs/dbraw/zinc/04/41/44/377044144.db2.gz YYVUEJVSZLFRSN-NFOMZHRRSA-N 3 1 255.450 2.214 20 0 CEADMP CSc1ccc([C@@H](C[NH2+][C@@H](C)C2C[NH2+]C2)N(C)C)cc1 ZINC000423145588 377045396 /nfs/dbraw/zinc/04/53/96/377045396.db2.gz LMRILESCUDGTED-BLLLJJGKSA-N 2 1 293.480 2.209 20 0 CEADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000423145037 377045418 /nfs/dbraw/zinc/04/54/18/377045418.db2.gz ITSCFDCQEVACIK-MGPQQGTHSA-N 2 1 292.448 2.233 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423089780 376982617 /nfs/dbraw/zinc/98/26/17/376982617.db2.gz VXFGVXFCVJXHQS-ILXRZTDVSA-N 2 1 267.461 2.356 20 0 CEADMP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423089780 376982622 /nfs/dbraw/zinc/98/26/22/376982622.db2.gz VXFGVXFCVJXHQS-ILXRZTDVSA-N 2 1 267.461 2.356 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423105404 376998269 /nfs/dbraw/zinc/99/82/69/376998269.db2.gz ILWZEMXOQZAWSE-LUKYLMHMSA-N 2 1 279.472 2.371 20 0 CEADMP CCCN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423105404 376998271 /nfs/dbraw/zinc/99/82/71/376998271.db2.gz ILWZEMXOQZAWSE-LUKYLMHMSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000423113173 377008118 /nfs/dbraw/zinc/00/81/18/377008118.db2.gz KKGHLNMLZYKADK-LRDDRELGSA-N 2 1 257.381 2.298 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CC(F)(F)F ZINC000423195070 377111481 /nfs/dbraw/zinc/11/14/81/377111481.db2.gz XLHKOEQNLQARPV-RVMXOQNASA-N 2 1 294.361 2.322 20 0 CEADMP Cc1ccncc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423152514 377054296 /nfs/dbraw/zinc/05/42/96/377054296.db2.gz LRFGTABPUAATNE-RHSMWYFYSA-N 2 1 269.392 2.438 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423156304 377059474 /nfs/dbraw/zinc/05/94/74/377059474.db2.gz RYZOKNYTYWLVRO-RWMBFGLXSA-N 2 1 250.390 2.071 20 0 CEADMP Cc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])ccn1 ZINC000423160369 377063458 /nfs/dbraw/zinc/06/34/58/377063458.db2.gz QRPDNIGQRLNELM-PBHICJAKSA-N 2 1 269.392 2.438 20 0 CEADMP COc1cccc2c1C[C@@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)C2 ZINC000423164844 377070465 /nfs/dbraw/zinc/07/04/65/377070465.db2.gz AKVYLNVWDQRRBL-AAEUAGOBSA-N 2 1 283.375 2.321 20 0 CEADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423207808 377124434 /nfs/dbraw/zinc/12/44/34/377124434.db2.gz DOSCTAIEHDKIRX-GXFFZTMASA-N 2 1 254.324 2.237 20 0 CEADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423207812 377124665 /nfs/dbraw/zinc/12/46/65/377124665.db2.gz DOSCTAIEHDKIRX-ZWNOBZJWSA-N 2 1 254.324 2.237 20 0 CEADMP C[C@H]1C[C@@H](NCC2([NH3+])CCCCCC2)C[N@H+]1C1CC1 ZINC000423207684 377124710 /nfs/dbraw/zinc/12/47/10/377124710.db2.gz YDFPGMWDOLMBIK-UONOGXRCSA-N 2 1 265.445 2.253 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCCC2)CN1C1CC1 ZINC000423207684 377124715 /nfs/dbraw/zinc/12/47/15/377124715.db2.gz YDFPGMWDOLMBIK-UONOGXRCSA-N 2 1 265.445 2.253 20 0 CEADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000563135967 377102180 /nfs/dbraw/zinc/10/21/80/377102180.db2.gz PVWZHADJMYRWBW-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP COc1cccc(C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423194326 377107533 /nfs/dbraw/zinc/10/75/33/377107533.db2.gz RFPOFODYHRLIPL-NVXWUHKLSA-N 2 1 274.408 2.358 20 0 CEADMP c1ccc(C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2cccnc2)nc1 ZINC000423213277 377129409 /nfs/dbraw/zinc/12/94/09/377129409.db2.gz NFXFGUICNPERPI-YJBOKZPZSA-N 2 1 296.418 2.350 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cn1 ZINC000423218389 377133904 /nfs/dbraw/zinc/13/39/04/377133904.db2.gz VHXWXJSGSRZQMK-WDEREUQCSA-N 2 1 253.777 2.385 20 0 CEADMP COc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423221082 377136034 /nfs/dbraw/zinc/13/60/34/377136034.db2.gz ZEZUXZJYUMPTRW-MNOVXSKESA-N 2 1 254.399 2.407 20 0 CEADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000423220746 377136191 /nfs/dbraw/zinc/13/61/91/377136191.db2.gz YMPAMINFHBOAID-RBSFLKMASA-N 2 1 259.397 2.368 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)C12CCC2 ZINC000423272540 377195879 /nfs/dbraw/zinc/19/58/79/377195879.db2.gz ZCBSESXWPSTPEH-BFHYXJOUSA-N 2 1 254.418 2.297 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C1(CC)CC ZINC000423237860 377156437 /nfs/dbraw/zinc/15/64/37/377156437.db2.gz QGBPKBSNFHDCGO-MGPQQGTHSA-N 2 1 254.418 2.312 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000423255620 377174335 /nfs/dbraw/zinc/17/43/35/377174335.db2.gz AJVZTLAGVPNJLV-NWDGAFQWSA-N 2 1 266.433 2.453 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423265054 377182604 /nfs/dbraw/zinc/18/26/04/377182604.db2.gz QOZLNKHRXYINIQ-LSDHHAIUSA-N 2 1 262.397 2.343 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc2c(c1)OCCO2 ZINC000423266928 377184557 /nfs/dbraw/zinc/18/45/57/377184557.db2.gz DZFDDHPFBXFZLM-KGLIPLIRSA-N 2 1 278.396 2.482 20 0 CEADMP [NH3+]C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000423269191 377188694 /nfs/dbraw/zinc/18/86/94/377188694.db2.gz VNZAROYADWWNPE-JYJNAYRXSA-N 2 1 265.445 2.110 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000423282350 377208866 /nfs/dbraw/zinc/20/88/66/377208866.db2.gz VVFIDYKSMRUOPS-TZMCWYRMSA-N 2 1 278.396 2.482 20 0 CEADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c2ccccc2C1 ZINC000423285091 377211647 /nfs/dbraw/zinc/21/16/47/377211647.db2.gz YVEYQYDQCVVAEU-SJORKVTESA-N 2 1 289.423 2.053 20 0 CEADMP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423286035 377215168 /nfs/dbraw/zinc/21/51/68/377215168.db2.gz ZGNZUHNLBKVHFN-BMIGLBTASA-N 2 1 261.369 2.033 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(C)n1 ZINC000423336404 377267524 /nfs/dbraw/zinc/26/75/24/377267524.db2.gz SOTFQNLFXPBERT-ABAIWWIYSA-N 2 1 262.401 2.134 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000423296858 377225100 /nfs/dbraw/zinc/22/51/00/377225100.db2.gz HUMHZZQEUSJRAL-KBPBESRZSA-N 2 1 287.411 2.435 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000423302923 377232076 /nfs/dbraw/zinc/23/20/76/377232076.db2.gz WKZNCARTWAYGFF-AAVRWANBSA-N 2 1 270.417 2.071 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000423304945 377234738 /nfs/dbraw/zinc/23/47/38/377234738.db2.gz ZSKUAPQSWKJJPD-HIFRSBDPSA-N 2 1 287.411 2.435 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)C[NH3+])c2ccccc21 ZINC000423319890 377250778 /nfs/dbraw/zinc/25/07/78/377250778.db2.gz FXZBHIGWXAQYEM-KCPJHIHWSA-N 2 1 276.380 2.105 20 0 CEADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1OC ZINC000423325627 377257880 /nfs/dbraw/zinc/25/78/80/377257880.db2.gz QJFJBUHEERRJHU-BXUZGUMPSA-N 2 1 278.396 2.400 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]2CCCC[C@H]12 ZINC000563919130 377318371 /nfs/dbraw/zinc/31/83/71/377318371.db2.gz NDEWSCVFVBPVLL-MWQQHZPXSA-N 2 1 280.456 2.342 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]2CCCC[C@H]12 ZINC000563919130 377318374 /nfs/dbraw/zinc/31/83/74/377318374.db2.gz NDEWSCVFVBPVLL-MWQQHZPXSA-N 2 1 280.456 2.342 20 0 CEADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@@H]2CCCC[C@H]12 ZINC000563919130 377318377 /nfs/dbraw/zinc/31/83/77/377318377.db2.gz NDEWSCVFVBPVLL-MWQQHZPXSA-N 2 1 280.456 2.342 20 0 CEADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@@H]2CCCC[C@H]12 ZINC000563919130 377318381 /nfs/dbraw/zinc/31/83/81/377318381.db2.gz NDEWSCVFVBPVLL-MWQQHZPXSA-N 2 1 280.456 2.342 20 0 CEADMP CC[C@](C)(C(=O)OC)[N@@H+](CCc1cncn1C)CC1CC1 ZINC000425507753 377355616 /nfs/dbraw/zinc/35/56/16/377355616.db2.gz FXGSBJRIMQDTPK-MRXNPFEDSA-N 2 1 293.411 2.016 20 0 CEADMP Cc1ccc([C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C2CCC2)cc1 ZINC000427715520 377438554 /nfs/dbraw/zinc/43/85/54/377438554.db2.gz QLNFWBVEERARKG-SJORKVTESA-N 2 1 276.424 2.348 20 0 CEADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@H]1CCCC[C@@H]1O ZINC000564733006 377442559 /nfs/dbraw/zinc/44/25/59/377442559.db2.gz KJGRUWYJMBYJGN-CVEARBPZSA-N 2 1 268.445 2.379 20 0 CEADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@@H]1CCCC[C@@H]1O ZINC000564733007 377443359 /nfs/dbraw/zinc/44/33/59/377443359.db2.gz KJGRUWYJMBYJGN-HOTGVXAUSA-N 2 1 268.445 2.379 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3ccccn3)C2)C1 ZINC000293056476 377409617 /nfs/dbraw/zinc/40/96/17/377409617.db2.gz UJYPYTBDUSONFF-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3ccccn3)C2)C1 ZINC000293056476 377409625 /nfs/dbraw/zinc/40/96/25/377409625.db2.gz UJYPYTBDUSONFF-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3ccccn3)C2)C1 ZINC000293056476 377409631 /nfs/dbraw/zinc/40/96/31/377409631.db2.gz UJYPYTBDUSONFF-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000427868339 377458866 /nfs/dbraw/zinc/45/88/66/377458866.db2.gz UOFSUZOJGDGUPJ-ILXRZTDVSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@@H]1CCC[N@H+](CCN(C)c2ccccc2)[C@H]1C[NH3+] ZINC000430590950 377530418 /nfs/dbraw/zinc/53/04/18/377530418.db2.gz DSPPNQLBIOUHMK-ZBFHGGJFSA-N 2 1 261.413 2.182 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN(C)c2ccccc2)[C@H]1C[NH3+] ZINC000430590950 377530420 /nfs/dbraw/zinc/53/04/20/377530420.db2.gz DSPPNQLBIOUHMK-ZBFHGGJFSA-N 2 1 261.413 2.182 20 0 CEADMP C[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000430743380 377547453 /nfs/dbraw/zinc/54/74/53/377547453.db2.gz OHCQKEYQCGQPBF-IIAWOOMASA-N 2 1 289.423 2.066 20 0 CEADMP C[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000430743380 377547459 /nfs/dbraw/zinc/54/74/59/377547459.db2.gz OHCQKEYQCGQPBF-IIAWOOMASA-N 2 1 289.423 2.066 20 0 CEADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(C)cc2F)CC1 ZINC000430918726 377565182 /nfs/dbraw/zinc/56/51/82/377565182.db2.gz IJPVPVUAOCZDKS-UHFFFAOYSA-N 2 1 293.386 2.004 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)C(C)C ZINC000430900255 377560651 /nfs/dbraw/zinc/56/06/51/377560651.db2.gz PCHXKTVKWGAYEA-HOCLYGCPSA-N 2 1 291.439 2.169 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000565165301 377580627 /nfs/dbraw/zinc/58/06/27/377580627.db2.gz PNHVOWDZCATPAV-NVXWUHKLSA-N 2 1 276.424 2.308 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCc2ccccc21 ZINC000565165301 377580646 /nfs/dbraw/zinc/58/06/46/377580646.db2.gz PNHVOWDZCATPAV-NVXWUHKLSA-N 2 1 276.424 2.308 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCc2ccccc21 ZINC000565165301 377580653 /nfs/dbraw/zinc/58/06/53/377580653.db2.gz PNHVOWDZCATPAV-NVXWUHKLSA-N 2 1 276.424 2.308 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000565165301 377580656 /nfs/dbraw/zinc/58/06/56/377580656.db2.gz PNHVOWDZCATPAV-NVXWUHKLSA-N 2 1 276.424 2.308 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000565165301 377580663 /nfs/dbraw/zinc/58/06/63/377580663.db2.gz PNHVOWDZCATPAV-NVXWUHKLSA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H](O)CN(C)CC ZINC000565157490 377576298 /nfs/dbraw/zinc/57/62/98/377576298.db2.gz NHLVGCNTMHSFLE-ILXRZTDVSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000565157490 377576306 /nfs/dbraw/zinc/57/63/06/377576306.db2.gz NHLVGCNTMHSFLE-ILXRZTDVSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000565157490 377576312 /nfs/dbraw/zinc/57/63/12/377576312.db2.gz NHLVGCNTMHSFLE-ILXRZTDVSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000565157490 377576321 /nfs/dbraw/zinc/57/63/21/377576321.db2.gz NHLVGCNTMHSFLE-ILXRZTDVSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000565157490 377576325 /nfs/dbraw/zinc/57/63/25/377576325.db2.gz NHLVGCNTMHSFLE-ILXRZTDVSA-N 2 1 256.434 2.200 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166158143 542198816 /nfs/dbraw/zinc/19/88/16/542198816.db2.gz AWMRAPFTNOVTIA-DOTOQJQBSA-N 2 1 287.407 2.361 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166158143 542198818 /nfs/dbraw/zinc/19/88/18/542198818.db2.gz AWMRAPFTNOVTIA-DOTOQJQBSA-N 2 1 287.407 2.361 20 0 CEADMP CCc1nocc1C[N@H+](C)CCCc1c[nH+]cn1C ZINC000565168416 377584630 /nfs/dbraw/zinc/58/46/30/377584630.db2.gz DFTPPSJYNIUCNN-UHFFFAOYSA-N 2 1 262.357 2.035 20 0 CEADMP CCc1nocc1C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000565168416 377584637 /nfs/dbraw/zinc/58/46/37/377584637.db2.gz DFTPPSJYNIUCNN-UHFFFAOYSA-N 2 1 262.357 2.035 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000685889744 542197269 /nfs/dbraw/zinc/19/72/69/542197269.db2.gz ZJUPTICRUXKCIY-BYNSBNAKSA-N 2 1 283.460 2.093 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000685889744 542197271 /nfs/dbraw/zinc/19/72/71/542197271.db2.gz ZJUPTICRUXKCIY-BYNSBNAKSA-N 2 1 283.460 2.093 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000685889744 542197273 /nfs/dbraw/zinc/19/72/73/542197273.db2.gz ZJUPTICRUXKCIY-BYNSBNAKSA-N 2 1 283.460 2.093 20 0 CEADMP CC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H](C)C(C)C ZINC000431090593 377597263 /nfs/dbraw/zinc/59/72/63/377597263.db2.gz ZABUEOBYMUUOCQ-JTQLQIEISA-N 2 1 254.378 2.130 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431086618 377598920 /nfs/dbraw/zinc/59/89/20/377598920.db2.gz NVTRGJKBEAVDNQ-GRYCIOLGSA-N 2 1 278.400 2.416 20 0 CEADMP C[C@H](CCCC[NH3+])NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000293567848 377633254 /nfs/dbraw/zinc/63/32/54/377633254.db2.gz XUROHOBFCSECBI-CABCVRRESA-N 2 1 291.439 2.141 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000565814394 377699550 /nfs/dbraw/zinc/69/95/50/377699550.db2.gz MLYYPGFSNZEONH-LXTVHRRPSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)CCC(C)C ZINC000565829169 377700576 /nfs/dbraw/zinc/70/05/76/377700576.db2.gz XUGCCUWPKBDRLU-OAHLLOKOSA-N 2 1 267.417 2.358 20 0 CEADMP Cc1cc(N2CC([N@H+](C)Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000286412762 542220227 /nfs/dbraw/zinc/22/02/27/542220227.db2.gz QKDJJIGHTGINNB-UHFFFAOYSA-N 2 1 282.391 2.414 20 0 CEADMP Cc1cc(N2CC([N@@H+](C)Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000286412762 542220233 /nfs/dbraw/zinc/22/02/33/542220233.db2.gz QKDJJIGHTGINNB-UHFFFAOYSA-N 2 1 282.391 2.414 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000566106045 377725918 /nfs/dbraw/zinc/72/59/18/377725918.db2.gz FHADADOJABDEEO-VKJFTORMSA-N 2 1 288.435 2.225 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H]2CC=CCC2)CCCO1 ZINC000432370838 377755198 /nfs/dbraw/zinc/75/51/98/377755198.db2.gz WBWZXRGFIAKMEV-CVEARBPZSA-N 2 1 266.429 2.433 20 0 CEADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000432417574 377759606 /nfs/dbraw/zinc/75/96/06/377759606.db2.gz WHDSWDRJXIVJQK-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000432417574 377759610 /nfs/dbraw/zinc/75/96/10/377759610.db2.gz WHDSWDRJXIVJQK-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000435874312 377812639 /nfs/dbraw/zinc/81/26/39/377812639.db2.gz JAWUSCKGLFCHRA-ZWKOTPCHSA-N 3 1 289.467 2.268 20 0 CEADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000435874312 377812643 /nfs/dbraw/zinc/81/26/43/377812643.db2.gz JAWUSCKGLFCHRA-ZWKOTPCHSA-N 3 1 289.467 2.268 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH+](C)C[C@@H]1C ZINC000566944314 377788171 /nfs/dbraw/zinc/78/81/71/377788171.db2.gz JBEHQTWUWGBHMA-ZNMIVQPWSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000566944314 377788176 /nfs/dbraw/zinc/78/81/76/377788176.db2.gz JBEHQTWUWGBHMA-ZNMIVQPWSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000566944314 377788183 /nfs/dbraw/zinc/78/81/83/377788183.db2.gz JBEHQTWUWGBHMA-ZNMIVQPWSA-N 2 1 255.450 2.037 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000437972950 377876750 /nfs/dbraw/zinc/87/67/50/377876750.db2.gz SUPYUHLKIWJNDZ-BZSNNMDCSA-N 2 1 288.435 2.153 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000437972950 377876753 /nfs/dbraw/zinc/87/67/53/377876753.db2.gz SUPYUHLKIWJNDZ-BZSNNMDCSA-N 2 1 288.435 2.153 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2CCOC2)C[C@@H]1C ZINC000438101006 377884321 /nfs/dbraw/zinc/88/43/21/377884321.db2.gz NLPLFQQUNGJMCW-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CCOC2)C[C@@H]1C ZINC000438101006 377884325 /nfs/dbraw/zinc/88/43/25/377884325.db2.gz NLPLFQQUNGJMCW-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2CCOC2)C[C@@H]1C ZINC000438101006 377884330 /nfs/dbraw/zinc/88/43/30/377884330.db2.gz NLPLFQQUNGJMCW-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]C/C=C\c2ccccc2)CC1(C)C ZINC000441374250 377940774 /nfs/dbraw/zinc/94/07/74/377940774.db2.gz FAMLHLBREHVKCO-YFHOEESVSA-N 2 1 287.451 2.315 20 0 CEADMP CCc1cccc(OCC[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000442756824 377991009 /nfs/dbraw/zinc/99/10/09/377991009.db2.gz KUPHZALGSSNKBQ-ZFWWWQNUSA-N 2 1 262.397 2.297 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000442795284 377997732 /nfs/dbraw/zinc/99/77/32/377997732.db2.gz DXNWAAWNHVNRSG-ILXRZTDVSA-N 2 1 283.460 2.131 20 0 CEADMP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065688 378033434 /nfs/dbraw/zinc/03/34/34/378033434.db2.gz CMOJSLLNLPUJOL-FYRZTWFESA-N 2 1 295.471 2.131 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443072598 378034691 /nfs/dbraw/zinc/03/46/91/378034691.db2.gz OGNZBKJQGLRRPL-MNOVXSKESA-N 2 1 264.373 2.069 20 0 CEADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccsc1 ZINC000443086182 378035131 /nfs/dbraw/zinc/03/51/31/378035131.db2.gz NEQMJXAYIHCVCE-KBPBESRZSA-N 2 1 268.426 2.246 20 0 CEADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccsc1 ZINC000443086182 378035137 /nfs/dbraw/zinc/03/51/37/378035137.db2.gz NEQMJXAYIHCVCE-KBPBESRZSA-N 2 1 268.426 2.246 20 0 CEADMP CC[C@@H]([NH2+]C[C@@](C)(O)C[NH2+]C)c1ccc(Cl)cc1 ZINC000574458466 299498373 /nfs/dbraw/zinc/49/83/73/299498373.db2.gz JZGRQVLRCHZUCF-KGLIPLIRSA-N 2 1 270.804 2.351 20 0 CEADMP CN(CC[N@@H+](C)Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000450429927 378413690 /nfs/dbraw/zinc/41/36/90/378413690.db2.gz ODDWABAQACUNCR-SFHVURJKSA-N 2 1 289.467 2.392 20 0 CEADMP CN(CC[NH+](C)Cc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000450429927 378413692 /nfs/dbraw/zinc/41/36/92/378413692.db2.gz ODDWABAQACUNCR-SFHVURJKSA-N 2 1 289.467 2.392 20 0 CEADMP CN(CC[NH+](C)Cc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000450429927 378413699 /nfs/dbraw/zinc/41/36/99/378413699.db2.gz ODDWABAQACUNCR-SFHVURJKSA-N 2 1 289.467 2.392 20 0 CEADMP Cc1cnccc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296106561 378420741 /nfs/dbraw/zinc/42/07/41/378420741.db2.gz SDDZYHGWBLSHBF-XYPWUTKMSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1cnccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000296106561 378420746 /nfs/dbraw/zinc/42/07/46/378420746.db2.gz SDDZYHGWBLSHBF-XYPWUTKMSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1cnccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000296106561 378420756 /nfs/dbraw/zinc/42/07/56/378420756.db2.gz SDDZYHGWBLSHBF-XYPWUTKMSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1cnccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296106561 378420760 /nfs/dbraw/zinc/42/07/60/378420760.db2.gz SDDZYHGWBLSHBF-XYPWUTKMSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1cnccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296106561 378420763 /nfs/dbraw/zinc/42/07/63/378420763.db2.gz SDDZYHGWBLSHBF-XYPWUTKMSA-N 2 1 259.397 2.447 20 0 CEADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1CC[NH+](C)Cc1ccccc1 ZINC000450655485 378521597 /nfs/dbraw/zinc/52/15/97/378521597.db2.gz SVRZJONFAUUWFJ-HOTGVXAUSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@H]1[C@H](C)[NH+](C)CCN1CC[N@H+](C)Cc1ccccc1 ZINC000450655485 378521603 /nfs/dbraw/zinc/52/16/03/378521603.db2.gz SVRZJONFAUUWFJ-HOTGVXAUSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@H]1[C@H](C)[NH+](C)CCN1CC[N@@H+](C)Cc1ccccc1 ZINC000450655485 378521609 /nfs/dbraw/zinc/52/16/09/378521609.db2.gz SVRZJONFAUUWFJ-HOTGVXAUSA-N 2 1 275.440 2.143 20 0 CEADMP COC(=O)C1(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000450722707 378548728 /nfs/dbraw/zinc/54/87/28/378548728.db2.gz AKKDRQQDIDGBPL-KBPBESRZSA-N 2 1 294.439 2.182 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297333063 378681691 /nfs/dbraw/zinc/68/16/91/378681691.db2.gz DPKKXUJNIDBPAD-OAHLLOKOSA-N 3 1 290.455 2.369 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297333063 378681696 /nfs/dbraw/zinc/68/16/96/378681696.db2.gz DPKKXUJNIDBPAD-OAHLLOKOSA-N 3 1 290.455 2.369 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000346694514 217990835 /nfs/dbraw/zinc/99/08/35/217990835.db2.gz UQOGCYTWPOHZDO-AAEUAGOBSA-N 2 1 284.350 2.500 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccnc3)C[C@H]21 ZINC000346846856 218034038 /nfs/dbraw/zinc/03/40/38/218034038.db2.gz CMAHSUQXDBDQNE-NUEKZKHPSA-N 2 1 297.406 2.031 20 0 CEADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2nccn2CC)C1 ZINC000453104581 378804267 /nfs/dbraw/zinc/80/42/67/378804267.db2.gz ZOEIUWMIYRVZIW-KBPBESRZSA-N 2 1 264.417 2.286 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453105886 378806483 /nfs/dbraw/zinc/80/64/83/378806483.db2.gz IDBOQZNQSPXYLB-SFHVURJKSA-N 2 1 293.499 2.428 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC000346851422 218036226 /nfs/dbraw/zinc/03/62/26/218036226.db2.gz JTSFDFOBWGVEDV-UBHSHLNASA-N 2 1 294.468 2.158 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)[C@H](C)C1 ZINC000346855080 218038035 /nfs/dbraw/zinc/03/80/35/218038035.db2.gz BRWKSHOSMSJVQC-ZACQAIPSSA-N 2 1 298.471 2.140 20 0 CEADMP CCc1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000346864741 218041323 /nfs/dbraw/zinc/04/13/23/218041323.db2.gz YZLKPVBYFKRCHA-UHTWSYAYSA-N 2 1 265.426 2.265 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000346864774 218041644 /nfs/dbraw/zinc/04/16/44/218041644.db2.gz ZBDLJWJEEXMANG-BHYGNILZSA-N 2 1 290.455 2.469 20 0 CEADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000453386735 378881963 /nfs/dbraw/zinc/88/19/63/378881963.db2.gz PCWBLJYVIUDHSA-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccn(C)n1 ZINC000453402760 378888216 /nfs/dbraw/zinc/88/82/16/378888216.db2.gz NTBVWDKIIZAXLQ-CQSZACIVSA-N 2 1 264.417 2.335 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000453400447 378888328 /nfs/dbraw/zinc/88/83/28/378888328.db2.gz MJVPGWVOEQARAO-BZUAXINKSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453428788 378902351 /nfs/dbraw/zinc/90/23/51/378902351.db2.gz QBRFHHQXZWZSJM-MGPQQGTHSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000347017533 218092482 /nfs/dbraw/zinc/09/24/82/218092482.db2.gz DSHYVQWSVPNKBJ-CQSZACIVSA-N 2 1 278.444 2.426 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000347017533 218092484 /nfs/dbraw/zinc/09/24/84/218092484.db2.gz DSHYVQWSVPNKBJ-CQSZACIVSA-N 2 1 278.444 2.426 20 0 CEADMP C[C@H](c1ccsc1)[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346996893 218085187 /nfs/dbraw/zinc/08/51/87/218085187.db2.gz XNZDBGMUCKMIJD-GFCCVEGCSA-N 2 1 267.442 2.164 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cn2ccccc2n1)C1CC1 ZINC000453604226 378918184 /nfs/dbraw/zinc/91/81/84/378918184.db2.gz YETVBVXDAWLNJL-UHFFFAOYSA-N 2 1 272.396 2.298 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cccc2c1OCO2)C1CC1 ZINC000453606280 378920361 /nfs/dbraw/zinc/92/03/61/378920361.db2.gz VSRQAGUVCRYNGU-UHFFFAOYSA-N 2 1 276.380 2.379 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2ncc(COC)s2)CC1 ZINC000347032331 218098962 /nfs/dbraw/zinc/09/89/62/218098962.db2.gz ZYGXOGVAKOXOMA-UHFFFAOYSA-N 2 1 283.441 2.111 20 0 CEADMP CC(C)Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000347109231 218124311 /nfs/dbraw/zinc/12/43/11/218124311.db2.gz MUVBECVGRLJKHA-UKRRQHHQSA-N 2 1 264.417 2.098 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000347109231 218124312 /nfs/dbraw/zinc/12/43/12/218124312.db2.gz MUVBECVGRLJKHA-UKRRQHHQSA-N 2 1 264.417 2.098 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)CC[C@H]1[NH3+] ZINC000347147870 218137214 /nfs/dbraw/zinc/13/72/14/218137214.db2.gz YXGILGMNTRDULF-BXUZGUMPSA-N 2 1 284.350 2.500 20 0 CEADMP Oc1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000299662121 379097181 /nfs/dbraw/zinc/09/71/81/379097181.db2.gz VZUFHIZJOSMQAZ-UHFFFAOYSA-N 2 1 260.381 2.499 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CC[C@@H]2CCCCO2)CC1 ZINC000347449543 218238733 /nfs/dbraw/zinc/23/87/33/218238733.db2.gz WYBUGWIYVVFEOR-HNNXBMFYSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H]2CCCCO2)CC1 ZINC000347449543 218238736 /nfs/dbraw/zinc/23/87/36/218238736.db2.gz WYBUGWIYVVFEOR-HNNXBMFYSA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)n1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000300404040 379163395 /nfs/dbraw/zinc/16/33/95/379163395.db2.gz XHZASFCXNSHOAE-GJZGRUSLSA-N 2 1 262.401 2.180 20 0 CEADMP CC(C)n1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000300404040 379163400 /nfs/dbraw/zinc/16/34/00/379163400.db2.gz XHZASFCXNSHOAE-GJZGRUSLSA-N 2 1 262.401 2.180 20 0 CEADMP Cn1cc([C@@H]([NH2+]CCCc2c[nH+]cn2C)C(C)(C)C)cn1 ZINC000515178433 379190568 /nfs/dbraw/zinc/19/05/68/379190568.db2.gz QHMVHABXEDVWOJ-OAHLLOKOSA-N 2 1 289.427 2.463 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000515433443 379218822 /nfs/dbraw/zinc/21/88/22/379218822.db2.gz WTYRIJUWBXAFKA-FZKCQIBNSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000515433443 379218829 /nfs/dbraw/zinc/21/88/29/379218829.db2.gz WTYRIJUWBXAFKA-FZKCQIBNSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000515433443 379218842 /nfs/dbraw/zinc/21/88/42/379218842.db2.gz WTYRIJUWBXAFKA-FZKCQIBNSA-N 3 1 267.461 2.214 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000515347159 379207627 /nfs/dbraw/zinc/20/76/27/379207627.db2.gz UPLCLAZOQRIUIS-RHSMWYFYSA-N 2 1 287.407 2.021 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCC2)o1 ZINC000515670793 379237011 /nfs/dbraw/zinc/23/70/11/379237011.db2.gz XHFYLXNAMOZMBV-UHFFFAOYSA-N 2 1 274.368 2.164 20 0 CEADMP CC[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266540386 190265425 /nfs/dbraw/zinc/26/54/25/190265425.db2.gz IFQPHFKROBIZPI-IRXDYDNUSA-N 2 1 276.424 2.211 20 0 CEADMP CC[C@H](O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266540386 190265426 /nfs/dbraw/zinc/26/54/26/190265426.db2.gz IFQPHFKROBIZPI-IRXDYDNUSA-N 2 1 276.424 2.211 20 0 CEADMP CC[C@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266540386 190265427 /nfs/dbraw/zinc/26/54/27/190265427.db2.gz IFQPHFKROBIZPI-IRXDYDNUSA-N 2 1 276.424 2.211 20 0 CEADMP Cc1cccc2c1cc[nH+]c2NCC[C@H]1CC[NH2+]C1 ZINC000517235907 379351760 /nfs/dbraw/zinc/35/17/60/379351760.db2.gz ADPKCDJQDRTAQF-CYBMUJFWSA-N 2 1 255.365 2.377 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000266608154 190270297 /nfs/dbraw/zinc/27/02/97/190270297.db2.gz URPQTSUWBNJZOI-RDJZCZTQSA-N 2 1 276.424 2.384 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000266608154 190270298 /nfs/dbraw/zinc/27/02/98/190270298.db2.gz URPQTSUWBNJZOI-RDJZCZTQSA-N 2 1 276.424 2.384 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000519801744 379455665 /nfs/dbraw/zinc/45/56/65/379455665.db2.gz AXOQDMPMVIQKAP-LJISPDSOSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc2ccccc21 ZINC000304731508 379595181 /nfs/dbraw/zinc/59/51/81/379595181.db2.gz RCSJLHRSFCSDEQ-DZGCQCFKSA-N 2 1 272.392 2.413 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000526114105 379701486 /nfs/dbraw/zinc/70/14/86/379701486.db2.gz KCOSFFPZEQCSNA-INIZCTEOSA-N 2 1 268.445 2.465 20 0 CEADMP CCC(CC)(CCO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000305151586 379662826 /nfs/dbraw/zinc/66/28/26/379662826.db2.gz OWUVAELEZBYQAZ-RRFJBIMHSA-N 2 1 270.461 2.494 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000457102757 379670823 /nfs/dbraw/zinc/67/08/23/379670823.db2.gz AJZKRZJNCLQETO-FZKCQIBNSA-N 2 1 295.471 2.189 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000457102757 379670832 /nfs/dbraw/zinc/67/08/32/379670832.db2.gz AJZKRZJNCLQETO-FZKCQIBNSA-N 2 1 295.471 2.189 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000457102757 379670840 /nfs/dbraw/zinc/67/08/40/379670840.db2.gz AJZKRZJNCLQETO-FZKCQIBNSA-N 2 1 295.471 2.189 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC(C)(C)CO ZINC000305177385 379673167 /nfs/dbraw/zinc/67/31/67/379673167.db2.gz VNTNUCNJGLZNEP-RDBSUJKOSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000267336653 190321710 /nfs/dbraw/zinc/32/17/10/190321710.db2.gz BHTKNUMTCSXDSB-ZFWWWQNUSA-N 2 1 286.379 2.003 20 0 CEADMP C[C@H](C(=O)NCCCC[N@@H+](C)C1CC1)[NH+]1CCCCCC1 ZINC000457200693 379711588 /nfs/dbraw/zinc/71/15/88/379711588.db2.gz LTCHAVJCNZGFAT-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC000267534400 190336525 /nfs/dbraw/zinc/33/65/25/190336525.db2.gz UUVFAWDESQTWDM-GDBMZVCRSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC000267534400 190336526 /nfs/dbraw/zinc/33/65/26/190336526.db2.gz UUVFAWDESQTWDM-GDBMZVCRSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC000267534402 190336540 /nfs/dbraw/zinc/33/65/40/190336540.db2.gz UUVFAWDESQTWDM-GOEBONIOSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC000267534402 190336541 /nfs/dbraw/zinc/33/65/41/190336541.db2.gz UUVFAWDESQTWDM-GOEBONIOSA-N 2 1 276.424 2.400 20 0 CEADMP C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000527808817 379822177 /nfs/dbraw/zinc/82/21/77/379822177.db2.gz LPRRRWHYTKZTAD-HYVNUMGLSA-N 2 1 277.456 2.220 20 0 CEADMP C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527808817 379822179 /nfs/dbraw/zinc/82/21/79/379822179.db2.gz LPRRRWHYTKZTAD-HYVNUMGLSA-N 2 1 277.456 2.220 20 0 CEADMP C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000527808817 379822184 /nfs/dbraw/zinc/82/21/84/379822184.db2.gz LPRRRWHYTKZTAD-HYVNUMGLSA-N 2 1 277.456 2.220 20 0 CEADMP C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000527808814 379822269 /nfs/dbraw/zinc/82/22/69/379822269.db2.gz LPRRRWHYTKZTAD-BHYGNILZSA-N 2 1 277.456 2.220 20 0 CEADMP C(N[C@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527808814 379822273 /nfs/dbraw/zinc/82/22/73/379822273.db2.gz LPRRRWHYTKZTAD-BHYGNILZSA-N 2 1 277.456 2.220 20 0 CEADMP C(N[C@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000527808814 379822281 /nfs/dbraw/zinc/82/22/81/379822281.db2.gz LPRRRWHYTKZTAD-BHYGNILZSA-N 2 1 277.456 2.220 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2COC2)cc1 ZINC000528028540 379881334 /nfs/dbraw/zinc/88/13/34/379881334.db2.gz WXQGKGYERKZMBD-GFCCVEGCSA-N 2 1 271.364 2.478 20 0 CEADMP COc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)C2CC2)cn1 ZINC000528042872 379885711 /nfs/dbraw/zinc/88/57/11/379885711.db2.gz IDQJXCQFNYEXIF-MRXNPFEDSA-N 2 1 275.396 2.225 20 0 CEADMP C[C@H]1C[C@@H](N(C)Cc2ncc(C[NH+](C)C)s2)CC[N@@H+]1C ZINC000347888569 218390500 /nfs/dbraw/zinc/39/05/00/218390500.db2.gz WEMYYSLTEXLAPV-STQMWFEESA-N 2 1 296.484 2.119 20 0 CEADMP C[C@H]1C[C@@H](N(C)Cc2ncc(C[NH+](C)C)s2)CC[N@H+]1C ZINC000347888569 218390503 /nfs/dbraw/zinc/39/05/03/218390503.db2.gz WEMYYSLTEXLAPV-STQMWFEESA-N 2 1 296.484 2.119 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCSCCOC)C1 ZINC000488461052 380099355 /nfs/dbraw/zinc/09/93/55/380099355.db2.gz NKUWPUYQXXIGJA-CQSZACIVSA-N 2 1 274.474 2.030 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCSCCOC)C1 ZINC000488461052 380099359 /nfs/dbraw/zinc/09/93/59/380099359.db2.gz NKUWPUYQXXIGJA-CQSZACIVSA-N 2 1 274.474 2.030 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCSCCOC)C1 ZINC000488461052 380099362 /nfs/dbraw/zinc/09/93/62/380099362.db2.gz NKUWPUYQXXIGJA-CQSZACIVSA-N 2 1 274.474 2.030 20 0 CEADMP N[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc21 ZINC000333886621 380172256 /nfs/dbraw/zinc/17/22/56/380172256.db2.gz XIMUGYJFJXGUCZ-ZJVPAZETSA-N 2 1 271.408 2.109 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491595600 380336927 /nfs/dbraw/zinc/33/69/27/380336927.db2.gz BTJKIYWQVOQWDT-CQSZACIVSA-N 2 1 286.423 2.468 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@@]2(O)CCN(C)C2)c2ccsc2S1 ZINC000545868673 380392150 /nfs/dbraw/zinc/39/21/50/380392150.db2.gz XZGABSXIXNCVBY-JKOKRWQUSA-N 2 1 298.477 2.330 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492134149 380460617 /nfs/dbraw/zinc/46/06/17/380460617.db2.gz ORGUIXBBTDGNKJ-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492134149 380460619 /nfs/dbraw/zinc/46/06/19/380460619.db2.gz ORGUIXBBTDGNKJ-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492134149 380460623 /nfs/dbraw/zinc/46/06/23/380460623.db2.gz ORGUIXBBTDGNKJ-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492134149 380460627 /nfs/dbraw/zinc/46/06/27/380460627.db2.gz ORGUIXBBTDGNKJ-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP CC[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548717048 380550914 /nfs/dbraw/zinc/55/09/14/380550914.db2.gz ITBZSHVTOKOBIH-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+]1CC[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548717048 380550922 /nfs/dbraw/zinc/55/09/22/380550922.db2.gz ITBZSHVTOKOBIH-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548717048 380550928 /nfs/dbraw/zinc/55/09/28/380550928.db2.gz ITBZSHVTOKOBIH-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000549867806 380612944 /nfs/dbraw/zinc/61/29/44/380612944.db2.gz SUDZCCZAXBKEFL-CQSZACIVSA-N 2 1 292.471 2.365 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000549867806 380612950 /nfs/dbraw/zinc/61/29/50/380612950.db2.gz SUDZCCZAXBKEFL-CQSZACIVSA-N 2 1 292.471 2.365 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCCn2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000552034092 380677689 /nfs/dbraw/zinc/67/76/89/380677689.db2.gz DKBSFBLOQYFLLR-JYJNAYRXSA-N 3 1 276.428 2.126 20 0 CEADMP CN1CC[C@H]([NH2+]CCCCn2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000552034092 380677696 /nfs/dbraw/zinc/67/76/96/380677696.db2.gz DKBSFBLOQYFLLR-JYJNAYRXSA-N 3 1 276.428 2.126 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC[C@H]2C(C)C)CC1 ZINC000552223413 380694676 /nfs/dbraw/zinc/69/46/76/380694676.db2.gz WPTICFLWYCMCNF-IRXDYDNUSA-N 2 1 281.488 2.428 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000279185691 194324078 /nfs/dbraw/zinc/32/40/78/194324078.db2.gz SNJQXCWUZVYPTK-UHFFFAOYSA-N 2 1 282.391 2.224 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNCc2cnc(N(C)C)s2)C1 ZINC000556205152 380884536 /nfs/dbraw/zinc/88/45/36/380884536.db2.gz LRZRXVXFSUAQOQ-GFCCVEGCSA-N 2 1 282.457 2.029 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(N(C)C)s2)C1 ZINC000556205152 380884537 /nfs/dbraw/zinc/88/45/37/380884537.db2.gz LRZRXVXFSUAQOQ-GFCCVEGCSA-N 2 1 282.457 2.029 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc(N(C)C)s2)C1 ZINC000556205152 380884539 /nfs/dbraw/zinc/88/45/39/380884539.db2.gz LRZRXVXFSUAQOQ-GFCCVEGCSA-N 2 1 282.457 2.029 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000334856341 207193721 /nfs/dbraw/zinc/19/37/21/207193721.db2.gz HXLPYZJURJESCO-IINYFYTJSA-N 2 1 280.799 2.363 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334969672 207384923 /nfs/dbraw/zinc/38/49/23/207384923.db2.gz XGYOFFCUQOGBMV-UKRRQHHQSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334969672 207384929 /nfs/dbraw/zinc/38/49/29/207384929.db2.gz XGYOFFCUQOGBMV-UKRRQHHQSA-N 2 1 263.385 2.255 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000335267454 208064396 /nfs/dbraw/zinc/06/43/96/208064396.db2.gz HDWLTBDRLHKUJY-GASCZTMLSA-N 2 1 260.381 2.127 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1C ZINC000335371958 208302553 /nfs/dbraw/zinc/30/25/53/208302553.db2.gz RHRXAMVWOSEMGX-CABCVRRESA-N 2 1 260.381 2.045 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1C ZINC000335371958 208302559 /nfs/dbraw/zinc/30/25/59/208302559.db2.gz RHRXAMVWOSEMGX-CABCVRRESA-N 2 1 260.381 2.045 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)Cc1ccccc1)CC2 ZINC000374611423 220295643 /nfs/dbraw/zinc/29/56/43/220295643.db2.gz JSFCJRRZTUHYOW-QGZVFWFLSA-N 2 1 288.435 2.150 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)Cc1ccccc1)CC2 ZINC000374611423 220295646 /nfs/dbraw/zinc/29/56/46/220295646.db2.gz JSFCJRRZTUHYOW-QGZVFWFLSA-N 2 1 288.435 2.150 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000289211380 197264059 /nfs/dbraw/zinc/26/40/59/197264059.db2.gz IPOMRIGDXZLZPQ-MNOVXSKESA-N 2 1 294.424 2.127 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000583753455 322566116 /nfs/dbraw/zinc/56/61/16/322566116.db2.gz FVWGOJDDHQVFDW-LBPRGKRZSA-N 2 1 258.369 2.213 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1CCC1 ZINC000361690915 285276745 /nfs/dbraw/zinc/27/67/45/285276745.db2.gz NBNTXWXTGRYYNK-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359942354 285372521 /nfs/dbraw/zinc/37/25/21/285372521.db2.gz MZZXXBKECQHDHA-KKUMJFAQSA-N 2 1 254.418 2.264 20 0 CEADMP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000359942354 285372522 /nfs/dbraw/zinc/37/25/22/285372522.db2.gz MZZXXBKECQHDHA-KKUMJFAQSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)C(C)(C)C)[C@H](C)C1 ZINC000336788548 285396035 /nfs/dbraw/zinc/39/60/35/285396035.db2.gz PQYBGLHJOPWZCF-HZSPNIEDSA-N 2 1 256.434 2.056 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)C(C)(C)C)[C@H](C)C1 ZINC000336788548 285396037 /nfs/dbraw/zinc/39/60/37/285396037.db2.gz PQYBGLHJOPWZCF-HZSPNIEDSA-N 2 1 256.434 2.056 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)C(C)(C)C)[C@H](C)C1 ZINC000336788548 285396038 /nfs/dbraw/zinc/39/60/38/285396038.db2.gz PQYBGLHJOPWZCF-HZSPNIEDSA-N 2 1 256.434 2.056 20 0 CEADMP Oc1cc(F)cc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000366748514 130051122 /nfs/dbraw/zinc/05/11/22/130051122.db2.gz BJYURLOVNGZOAJ-LLVKDONJSA-N 2 1 275.327 2.080 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000299980346 394452934 /nfs/dbraw/zinc/45/29/34/394452934.db2.gz FTSYXOPBUYKTPD-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000300162603 394453317 /nfs/dbraw/zinc/45/33/17/394453317.db2.gz VFLVXQFEZMDWTL-QMCVQRASSA-N 2 1 278.440 2.432 20 0 CEADMP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000300162603 394453320 /nfs/dbraw/zinc/45/33/20/394453320.db2.gz VFLVXQFEZMDWTL-QMCVQRASSA-N 2 1 278.440 2.432 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C ZINC000420973333 394460175 /nfs/dbraw/zinc/46/01/75/394460175.db2.gz MZAYZMIUCNWBJM-HUUCEWRRSA-N 2 1 274.408 2.359 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C ZINC000420973333 394460178 /nfs/dbraw/zinc/46/01/78/394460178.db2.gz MZAYZMIUCNWBJM-HUUCEWRRSA-N 2 1 274.408 2.359 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1COCc2ccccc21 ZINC000226012020 394470690 /nfs/dbraw/zinc/47/06/90/394470690.db2.gz HJKUOOYESFXHOH-UHOFOFEASA-N 2 1 260.381 2.188 20 0 CEADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1COCc2ccccc21 ZINC000226012020 394470695 /nfs/dbraw/zinc/47/06/95/394470695.db2.gz HJKUOOYESFXHOH-UHOFOFEASA-N 2 1 260.381 2.188 20 0 CEADMP C[N@H+]1C[C@H]2CN(c3cc[nH+]c4cc(F)ccc43)C[C@H]2C1 ZINC000302867461 394478486 /nfs/dbraw/zinc/47/84/86/394478486.db2.gz WITTYSZBJZUGKB-TXEJJXNPSA-N 2 1 271.339 2.372 20 0 CEADMP C[N@@H+]1C[C@H]2CN(c3cc[nH+]c4cc(F)ccc43)C[C@H]2C1 ZINC000302867461 394478490 /nfs/dbraw/zinc/47/84/90/394478490.db2.gz WITTYSZBJZUGKB-TXEJJXNPSA-N 2 1 271.339 2.372 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000246346316 394514613 /nfs/dbraw/zinc/51/46/13/394514613.db2.gz JJQPADGXYWUUBS-GJZGRUSLSA-N 2 1 276.428 2.496 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000252546570 394572024 /nfs/dbraw/zinc/57/20/24/394572024.db2.gz KQKHNNNLTAXXRO-UGUYLWEFSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000252546570 394572027 /nfs/dbraw/zinc/57/20/27/394572027.db2.gz KQKHNNNLTAXXRO-UGUYLWEFSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[C@@H]1C ZINC000252562019 394572141 /nfs/dbraw/zinc/57/21/41/394572141.db2.gz WRHBTFYYLKGSBE-LJIZCISZSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)[C@@H]1C ZINC000252562019 394572143 /nfs/dbraw/zinc/57/21/43/394572143.db2.gz WRHBTFYYLKGSBE-LJIZCISZSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000070356259 394586835 /nfs/dbraw/zinc/58/68/35/394586835.db2.gz VJBBSSFGXXAGDN-GDBMZVCRSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+](CCCCNc1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000413350890 394533315 /nfs/dbraw/zinc/53/33/15/394533315.db2.gz YJNZHOSVFVOUML-UHFFFAOYSA-N 2 1 258.369 2.271 20 0 CEADMP C[N@@H+](CCCCNc1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000413350890 394533317 /nfs/dbraw/zinc/53/33/17/394533317.db2.gz YJNZHOSVFVOUML-UHFFFAOYSA-N 2 1 258.369 2.271 20 0 CEADMP COC[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309981882 394534605 /nfs/dbraw/zinc/53/46/05/394534605.db2.gz VIYXKQLSSJNOOD-RYQLBKOJSA-N 2 1 288.435 2.475 20 0 CEADMP COC[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309981882 394534606 /nfs/dbraw/zinc/53/46/06/394534606.db2.gz VIYXKQLSSJNOOD-RYQLBKOJSA-N 2 1 288.435 2.475 20 0 CEADMP COC[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309981882 394534607 /nfs/dbraw/zinc/53/46/07/394534607.db2.gz VIYXKQLSSJNOOD-RYQLBKOJSA-N 2 1 288.435 2.475 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000314862862 394544567 /nfs/dbraw/zinc/54/45/67/394544567.db2.gz FCGSTYOICONKEV-HNNXBMFYSA-N 2 1 290.455 2.369 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000314862862 394544569 /nfs/dbraw/zinc/54/45/69/394544569.db2.gz FCGSTYOICONKEV-HNNXBMFYSA-N 2 1 290.455 2.369 20 0 CEADMP CC[C@H]1C[C@@H](C[N@@H+](C)CC2CC[NH+](C)CC2)CCO1 ZINC000356967970 394666310 /nfs/dbraw/zinc/66/63/10/394666310.db2.gz PLRAGSSAJUEFLD-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2(OC)CCCC2)C1 ZINC000421821455 394605830 /nfs/dbraw/zinc/60/58/30/394605830.db2.gz RMLRVFOGZVFALC-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000076182776 394615584 /nfs/dbraw/zinc/61/55/84/394615584.db2.gz JWDARQDSAXHDLZ-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCC2)[C@H](C)C1 ZINC000356796921 394616405 /nfs/dbraw/zinc/61/64/05/394616405.db2.gz ZLIJKURZRHRYAS-HZPDHXFCSA-N 2 1 298.471 2.282 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422712771 394733934 /nfs/dbraw/zinc/73/39/34/394733934.db2.gz OQLYJLDYSZABBC-LSDHHAIUSA-N 3 1 255.450 2.216 20 0 CEADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000414229266 394736078 /nfs/dbraw/zinc/73/60/78/394736078.db2.gz ZTEKDBFDEGJHEV-WNOSKKOXSA-N 2 1 274.408 2.371 20 0 CEADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000414229266 394736081 /nfs/dbraw/zinc/73/60/81/394736081.db2.gz ZTEKDBFDEGJHEV-WNOSKKOXSA-N 2 1 274.408 2.371 20 0 CEADMP COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422715113 394736260 /nfs/dbraw/zinc/73/62/60/394736260.db2.gz RPMOYROMQAWFRI-VBQJREDUSA-N 2 1 289.423 2.004 20 0 CEADMP CN(CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)CC(F)(F)F ZINC000422718895 394738087 /nfs/dbraw/zinc/73/80/87/394738087.db2.gz XZKZMKJWUNOJFI-QWHCGFSZSA-N 2 1 287.329 2.215 20 0 CEADMP CCCC[N@H+](C)CCN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422719444 394739371 /nfs/dbraw/zinc/73/93/71/394739371.db2.gz YCNUDDZNRJNHOB-CYBMUJFWSA-N 2 1 278.444 2.231 20 0 CEADMP CCCC[N@@H+](C)CCN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422719444 394739374 /nfs/dbraw/zinc/73/93/74/394739374.db2.gz YCNUDDZNRJNHOB-CYBMUJFWSA-N 2 1 278.444 2.231 20 0 CEADMP CC[N@@H+](C)CCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422722667 394740217 /nfs/dbraw/zinc/74/02/17/394740217.db2.gz YLNAAYOXLZOHPD-DLBZAZTESA-N 2 1 291.439 2.030 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422723252 394741529 /nfs/dbraw/zinc/74/15/29/394741529.db2.gz QQDNPDBGDJDYJM-GOEBONIOSA-N 3 1 278.444 2.482 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422738675 394749384 /nfs/dbraw/zinc/74/93/84/394749384.db2.gz KCMILRKGLBHBQD-JYJNAYRXSA-N 2 1 267.461 2.371 20 0 CEADMP CC1CCC([N@@H+](CCC[NH3+])C[C@@H]2CCCO2)CC1 ZINC000414698295 394749386 /nfs/dbraw/zinc/74/93/86/394749386.db2.gz IZKVNUXRGNTXJN-NRXISQOPSA-N 2 1 254.418 2.395 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC)c2)CC1 ZINC000357013009 394682331 /nfs/dbraw/zinc/68/23/31/394682331.db2.gz WNWPZCLDQKDMKU-UHFFFAOYSA-N 2 1 276.380 2.047 20 0 CEADMP COc1ccc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422730544 394745575 /nfs/dbraw/zinc/74/55/75/394745575.db2.gz MCPTZRBERHGOHN-LBPRGKRZSA-N 2 1 271.364 2.396 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000422733149 394746319 /nfs/dbraw/zinc/74/63/19/394746319.db2.gz QRCFBWVBIXOYMD-COXVUDFISA-N 2 1 293.430 2.406 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@](C)(O)c1ccsc1 ZINC000268952489 394703688 /nfs/dbraw/zinc/70/36/88/394703688.db2.gz CMZTXAMIGDQQBV-GBOPCIDUSA-N 2 1 282.453 2.274 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)CCO1 ZINC000422559628 394710726 /nfs/dbraw/zinc/71/07/26/394710726.db2.gz DMNGXANMQQSCIF-DGXTUMSLSA-N 2 1 268.445 2.497 20 0 CEADMP Cc1cccn2c(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cnc12 ZINC000422561098 394711025 /nfs/dbraw/zinc/71/10/25/394711025.db2.gz IZPCIWJUEZNQML-ZNMIVQPWSA-N 2 1 286.423 2.448 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc3ccccc3n2C)C[C@@H]1C[NH3+] ZINC000422561531 394711433 /nfs/dbraw/zinc/71/14/33/394711433.db2.gz LSZQFFDIKZSAPM-MCIONIFRSA-N 2 1 286.423 2.379 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc3ccccc3n2C)C[C@@H]1C[NH3+] ZINC000422561531 394711437 /nfs/dbraw/zinc/71/14/37/394711437.db2.gz LSZQFFDIKZSAPM-MCIONIFRSA-N 2 1 286.423 2.379 20 0 CEADMP COc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C(C)C)cc1 ZINC000358256995 394714028 /nfs/dbraw/zinc/71/40/28/394714028.db2.gz RVGDZQZFZOXCBY-IRXDYDNUSA-N 2 1 292.423 2.049 20 0 CEADMP COc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C(C)C)cc1 ZINC000358256995 394714031 /nfs/dbraw/zinc/71/40/31/394714031.db2.gz RVGDZQZFZOXCBY-IRXDYDNUSA-N 2 1 292.423 2.049 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)s1 ZINC000422639644 394723088 /nfs/dbraw/zinc/72/30/88/394723088.db2.gz UARCPUQIURMHDA-WOPDTQHZSA-N 2 1 296.436 2.340 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)s1 ZINC000422639644 394723092 /nfs/dbraw/zinc/72/30/92/394723092.db2.gz UARCPUQIURMHDA-WOPDTQHZSA-N 2 1 296.436 2.340 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000414189290 394725986 /nfs/dbraw/zinc/72/59/86/394725986.db2.gz QTZMUVVLPWDKMG-CABCVRRESA-N 2 1 291.439 2.343 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000422742642 394752962 /nfs/dbraw/zinc/75/29/62/394752962.db2.gz SEWYVMQWQXRAKW-ZOWXZIJZSA-N 2 1 250.361 2.487 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCO)[C@H]1CCc2ccccc21 ZINC000271286298 394753645 /nfs/dbraw/zinc/75/36/45/394753645.db2.gz LRQCMLFRMINBHC-AEFFLSMTSA-N 2 1 288.435 2.453 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000271286298 394753647 /nfs/dbraw/zinc/75/36/47/394753647.db2.gz LRQCMLFRMINBHC-AEFFLSMTSA-N 2 1 288.435 2.453 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000271286298 394753651 /nfs/dbraw/zinc/75/36/51/394753651.db2.gz LRQCMLFRMINBHC-AEFFLSMTSA-N 2 1 288.435 2.453 20 0 CEADMP C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1C[NH2+]C1 ZINC000422839184 394822205 /nfs/dbraw/zinc/82/22/05/394822205.db2.gz PUCGISUSQFRBLK-RKVPGOIHSA-N 2 1 287.451 2.095 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)C1C[NH2+]C1 ZINC000422839184 394822207 /nfs/dbraw/zinc/82/22/07/394822207.db2.gz PUCGISUSQFRBLK-RKVPGOIHSA-N 2 1 287.451 2.095 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCc3ccccc32)[C@@H](C)C1 ZINC000271425966 394757179 /nfs/dbraw/zinc/75/71/79/394757179.db2.gz AEGOYMLHGFLZKV-WBAXXEDZSA-N 2 1 288.435 2.140 20 0 CEADMP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000422755017 394760633 /nfs/dbraw/zinc/76/06/33/394760633.db2.gz HOOLONFZPSFAPR-PIGZVRMJSA-N 2 1 279.453 2.223 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1C[NH2+]C1 ZINC000422839185 394822684 /nfs/dbraw/zinc/82/26/84/394822684.db2.gz PUCGISUSQFRBLK-RVKKMQEKSA-N 2 1 287.451 2.095 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C1C[NH2+]C1 ZINC000422839185 394822687 /nfs/dbraw/zinc/82/26/87/394822687.db2.gz PUCGISUSQFRBLK-RVKKMQEKSA-N 2 1 287.451 2.095 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cccc3c[nH]nc32)CCCCC1 ZINC000414840924 394764639 /nfs/dbraw/zinc/76/46/39/394764639.db2.gz KSRXIUOZNJGZDH-UHFFFAOYSA-N 2 1 258.369 2.314 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)CC1CCOCC1 ZINC000414954830 394822955 /nfs/dbraw/zinc/82/29/55/394822955.db2.gz NJIQMGNCEYGHQN-GUTXKFCHSA-N 2 1 254.418 2.169 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000359658977 394768569 /nfs/dbraw/zinc/76/85/69/394768569.db2.gz FTZRXSLCVLVVQP-BPLDGKMQSA-N 2 1 281.469 2.281 20 0 CEADMP Cn1cc(C[NH2+]CC2([NH3+])CCCCC2)c(-c2cccnc2)n1 ZINC000414849921 394769574 /nfs/dbraw/zinc/76/95/74/394769574.db2.gz YHPBTPPRLIKEBM-UHFFFAOYSA-N 2 1 299.422 2.233 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422772126 394773181 /nfs/dbraw/zinc/77/31/81/394773181.db2.gz YUFVFXXXOQPFQZ-BDJLRTHQSA-N 2 1 275.371 2.437 20 0 CEADMP C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1c[nH+]ccc1N ZINC000422773937 394774707 /nfs/dbraw/zinc/77/47/07/394774707.db2.gz VJZYFXCECXETIH-KBPBESRZSA-N 2 1 276.428 2.409 20 0 CEADMP C[NH2+]CCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000414859748 394774840 /nfs/dbraw/zinc/77/48/40/394774840.db2.gz NNKVALABFDKFMR-FGTMMUONSA-N 2 1 287.451 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000414859748 394774844 /nfs/dbraw/zinc/77/48/44/394774844.db2.gz NNKVALABFDKFMR-FGTMMUONSA-N 3 1 287.451 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000414859748 394774848 /nfs/dbraw/zinc/77/48/48/394774848.db2.gz NNKVALABFDKFMR-FGTMMUONSA-N 3 1 287.451 2.096 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccc(Cl)cc1 ZINC000422776944 394776522 /nfs/dbraw/zinc/77/65/22/394776522.db2.gz BHQRXAGQPVSJLD-BFHYXJOUSA-N 2 1 268.788 2.497 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000422777093 394776739 /nfs/dbraw/zinc/77/67/39/394776739.db2.gz FEJBEWXVKBNTGI-DIECFANBSA-N 2 1 275.440 2.017 20 0 CEADMP C[NH2+]CCCNCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414862961 394776952 /nfs/dbraw/zinc/77/69/52/394776952.db2.gz WLKXZLRNQWCPEQ-UHFFFAOYSA-N 2 1 277.456 2.344 20 0 CEADMP C[NH2+]CCC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414862961 394776955 /nfs/dbraw/zinc/77/69/55/394776955.db2.gz WLKXZLRNQWCPEQ-UHFFFAOYSA-N 3 1 277.456 2.344 20 0 CEADMP C[NH2+]CCC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414862961 394776956 /nfs/dbraw/zinc/77/69/56/394776956.db2.gz WLKXZLRNQWCPEQ-UHFFFAOYSA-N 3 1 277.456 2.344 20 0 CEADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422779124 394778644 /nfs/dbraw/zinc/77/86/44/394778644.db2.gz BLEWJRDNIJFPNW-RDBSUJKOSA-N 2 1 278.396 2.193 20 0 CEADMP COc1cc2c(c(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)c1)O[C@@H](C)C2 ZINC000414955555 394823728 /nfs/dbraw/zinc/82/37/28/394823728.db2.gz MAYIYLJWTMKCAN-MQIPJXDCSA-N 2 1 290.407 2.106 20 0 CEADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359934464 394780704 /nfs/dbraw/zinc/78/07/04/394780704.db2.gz NBBYOBUTKSZTML-KFWWJZLASA-N 2 1 254.418 2.408 20 0 CEADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000359934464 394780708 /nfs/dbraw/zinc/78/07/08/394780708.db2.gz NBBYOBUTKSZTML-KFWWJZLASA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000359987241 394782564 /nfs/dbraw/zinc/78/25/64/394782564.db2.gz NFMCJYBRRIBYNX-DZGCQCFKSA-N 2 1 277.412 2.299 20 0 CEADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000359987241 394782567 /nfs/dbraw/zinc/78/25/67/394782567.db2.gz NFMCJYBRRIBYNX-DZGCQCFKSA-N 2 1 277.412 2.299 20 0 CEADMP COc1ccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1F ZINC000422787373 394786104 /nfs/dbraw/zinc/78/61/04/394786104.db2.gz QBJGFQJHDFMHHB-ZJUUUORDSA-N 2 1 252.333 2.093 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1Br ZINC000414885992 394787384 /nfs/dbraw/zinc/78/73/84/394787384.db2.gz CEBWXMBUNCPHOO-LBPRGKRZSA-N 2 1 299.212 2.285 20 0 CEADMP COc1ccc(OCC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422790662 394787812 /nfs/dbraw/zinc/78/78/12/394787812.db2.gz PPUXDGTYSDHIJM-GFCCVEGCSA-N 2 1 287.363 2.232 20 0 CEADMP COc1ccc(O[C@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422795777 394792767 /nfs/dbraw/zinc/79/27/67/394792767.db2.gz WPWSSJABVNMDAB-DVOMOZLQSA-N 2 1 278.396 2.193 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422797245 394794074 /nfs/dbraw/zinc/79/40/74/394794074.db2.gz LRHDLNPDRGEASV-PVAVHDDUSA-N 2 1 279.472 2.229 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])[nH]c2c1 ZINC000422802445 394798163 /nfs/dbraw/zinc/79/81/63/394798163.db2.gz BLJKEGBCEYRGCR-QWHCGFSZSA-N 2 1 272.396 2.478 20 0 CEADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000414920849 394803718 /nfs/dbraw/zinc/80/37/18/394803718.db2.gz AFCLWOSHJBVQPG-QWHCGFSZSA-N 2 1 277.412 2.464 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000414923476 394804917 /nfs/dbraw/zinc/80/49/17/394804917.db2.gz HGSPEQJTDOLRBJ-LMSBXDPUSA-N 2 1 287.451 2.410 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC(F)(F)C[NH3+])CC2)C1 ZINC000414922213 394804956 /nfs/dbraw/zinc/80/49/56/394804956.db2.gz CJJSJRGINCVKOK-TZMCWYRMSA-N 2 1 289.414 2.213 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000414928204 394807012 /nfs/dbraw/zinc/80/70/12/394807012.db2.gz MQGRWQGATZTYLA-VMGRFDJRSA-N 2 1 274.408 2.140 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000422818509 394809602 /nfs/dbraw/zinc/80/96/02/394809602.db2.gz GNRIXKKSKKYFDP-KBPBESRZSA-N 3 1 267.461 2.499 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nccnc1C ZINC000275899381 394809876 /nfs/dbraw/zinc/80/98/76/394809876.db2.gz SAYOZNXRCPQTFG-LLVKDONJSA-N 2 1 259.357 2.031 20 0 CEADMP C[C@H](C[NH3+])[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000414935340 394810863 /nfs/dbraw/zinc/81/08/63/394810863.db2.gz VMCREMUZWPKZAU-NXEZZACHSA-N 2 1 271.202 2.489 20 0 CEADMP CC[C@H](NCC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422821020 394811606 /nfs/dbraw/zinc/81/16/06/394811606.db2.gz UCLUXLGHEKCTOX-IRXDYDNUSA-N 2 1 293.430 2.378 20 0 CEADMP C[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)[C@H]1CCC[NH2+]1 ZINC000422820782 394811939 /nfs/dbraw/zinc/81/19/39/394811939.db2.gz SFHOKWOCMJKVQN-WMLDXEAASA-N 2 1 284.407 2.145 20 0 CEADMP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000361007915 394812529 /nfs/dbraw/zinc/81/25/29/394812529.db2.gz IZRPLGPFRGCNGW-HZPDHXFCSA-N 2 1 268.445 2.415 20 0 CEADMP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000361007915 394812532 /nfs/dbraw/zinc/81/25/32/394812532.db2.gz IZRPLGPFRGCNGW-HZPDHXFCSA-N 2 1 268.445 2.415 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414942002 394814070 /nfs/dbraw/zinc/81/40/70/394814070.db2.gz DGYTXTLRIAGDRS-FZMZJTMJSA-N 2 1 278.444 2.485 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422831721 394816673 /nfs/dbraw/zinc/81/66/73/394816673.db2.gz UAMKVIOIUJGFFE-UWVGGRQHSA-N 2 1 291.317 2.238 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422831723 394816859 /nfs/dbraw/zinc/81/68/59/394816859.db2.gz UAMKVIOIUJGFFE-ZJUUUORDSA-N 2 1 291.317 2.238 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422830563 394816988 /nfs/dbraw/zinc/81/69/88/394816988.db2.gz IRERVNIODCCIEH-YQQAZPJKSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422830563 394816992 /nfs/dbraw/zinc/81/69/92/394816992.db2.gz IRERVNIODCCIEH-YQQAZPJKSA-N 2 1 275.440 2.366 20 0 CEADMP CC(C)c1ncc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414960257 394825971 /nfs/dbraw/zinc/82/59/71/394825971.db2.gz YBEVJEQHBUWPFV-QWRGUYRKSA-N 2 1 253.415 2.497 20 0 CEADMP CCCn1nc(C)c(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000414950363 394820155 /nfs/dbraw/zinc/82/01/55/394820155.db2.gz ONJUKGPQNYKRMN-SMDDNHRTSA-N 2 1 264.417 2.140 20 0 CEADMP CCCn1nc(C)c(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1C ZINC000414950362 394820813 /nfs/dbraw/zinc/82/08/13/394820813.db2.gz ONJUKGPQNYKRMN-RISCZKNCSA-N 2 1 264.417 2.140 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422836919 394821145 /nfs/dbraw/zinc/82/11/45/394821145.db2.gz KZCMTIGGRSFQHY-FVQBIDKESA-N 2 1 293.480 2.430 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000422926834 394864076 /nfs/dbraw/zinc/86/40/76/394864076.db2.gz XPPMTOGEDVRPKU-VNHYZAJKSA-N 2 1 292.423 2.365 20 0 CEADMP Cc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1-n1cncn1 ZINC000415051350 394864564 /nfs/dbraw/zinc/86/45/64/394864564.db2.gz JKPMMQDSLFTURL-OAHLLOKOSA-N 2 1 287.411 2.039 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415088650 394884883 /nfs/dbraw/zinc/88/48/83/394884883.db2.gz WMXUWFQTJSUROU-OLZOCXBDSA-N 2 1 278.444 2.165 20 0 CEADMP C[N@@H+](Cc1ccc(-c2ccccc2)s1)C[C@@H](O)C[NH3+] ZINC000415058062 394868716 /nfs/dbraw/zinc/86/87/16/394868716.db2.gz RETRSDCIIZGZRU-ZDUSSCGKSA-N 2 1 276.405 2.167 20 0 CEADMP C[N@H+](Cc1ccc(-c2ccccc2)s1)C[C@@H](O)C[NH3+] ZINC000415058062 394868720 /nfs/dbraw/zinc/86/87/20/394868720.db2.gz RETRSDCIIZGZRU-ZDUSSCGKSA-N 2 1 276.405 2.167 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000415061491 394869496 /nfs/dbraw/zinc/86/94/96/394869496.db2.gz YFHCGHMROGYMQM-OAHLLOKOSA-N 2 1 272.396 2.335 20 0 CEADMP CCCCCOc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000415062881 394870788 /nfs/dbraw/zinc/87/07/88/394870788.db2.gz ZNDNLOIESUIIQC-HNNXBMFYSA-N 2 1 280.412 2.007 20 0 CEADMP CCCCCOc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000415062881 394870790 /nfs/dbraw/zinc/87/07/90/394870790.db2.gz ZNDNLOIESUIIQC-HNNXBMFYSA-N 2 1 280.412 2.007 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000422973069 394873231 /nfs/dbraw/zinc/87/32/31/394873231.db2.gz BDEPZSZIIAOSEU-ARFHVFGLSA-N 2 1 298.471 2.064 20 0 CEADMP COc1ccccc1C[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415071017 394874081 /nfs/dbraw/zinc/87/40/81/394874081.db2.gz SBFNMCQOTQAAEK-HIFRSBDPSA-N 2 1 262.397 2.358 20 0 CEADMP CC(C)c1ncc(C[NH2+]CCC[NH2+]C2CC2)s1 ZINC000415072011 394874397 /nfs/dbraw/zinc/87/43/97/394874397.db2.gz VBWYNPSQCNPMRD-UHFFFAOYSA-N 2 1 253.415 2.498 20 0 CEADMP CC[C@H]([NH2+]C[C@@](C)(CO)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423080529 394885539 /nfs/dbraw/zinc/88/55/39/394885539.db2.gz SRUSLZUBRVGLHR-BZSNNMDCSA-N 2 1 290.451 2.348 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422990860 394876329 /nfs/dbraw/zinc/87/63/29/394876329.db2.gz ADVKWEKKXXYLCB-WFVVYAPDSA-N 3 1 279.472 2.370 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423012127 394881688 /nfs/dbraw/zinc/88/16/88/394881688.db2.gz JZLBINRWWTUJFS-LLLHUVSDSA-N 2 1 273.424 2.162 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000414961185 394827440 /nfs/dbraw/zinc/82/74/40/394827440.db2.gz RTALZXBZDWJSTC-BXUZGUMPSA-N 2 1 288.420 2.293 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422853924 394831028 /nfs/dbraw/zinc/83/10/28/394831028.db2.gz ZMCZPDICFHGLCK-KGLIPLIRSA-N 2 1 285.501 2.063 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C[N@H+]1C1CC1 ZINC000422858913 394833930 /nfs/dbraw/zinc/83/39/30/394833930.db2.gz GRDLWLSRWQZCCC-CZAMWMTLSA-N 2 1 271.408 2.346 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C[N@H+]1C1CC1 ZINC000422858915 394834223 /nfs/dbraw/zinc/83/42/23/394834223.db2.gz GRDLWLSRWQZCCC-YIFBXAAPSA-N 2 1 271.408 2.346 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422868743 394839119 /nfs/dbraw/zinc/83/91/19/394839119.db2.gz VUCFFTMGKHCSAH-DLBZAZTESA-N 2 1 275.440 2.496 20 0 CEADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422868743 394839122 /nfs/dbraw/zinc/83/91/22/394839122.db2.gz VUCFFTMGKHCSAH-DLBZAZTESA-N 3 1 275.440 2.496 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422868743 394839127 /nfs/dbraw/zinc/83/91/27/394839127.db2.gz VUCFFTMGKHCSAH-DLBZAZTESA-N 3 1 275.440 2.496 20 0 CEADMP C[C@@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000422868449 394839639 /nfs/dbraw/zinc/83/96/39/394839639.db2.gz UZRMOFOZGSCNPX-WCVJEAGWSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)N1CCCC[C@H]1C ZINC000422868449 394839643 /nfs/dbraw/zinc/83/96/43/394839643.db2.gz UZRMOFOZGSCNPX-WCVJEAGWSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422878046 394844789 /nfs/dbraw/zinc/84/47/89/394844789.db2.gz ISKHGHVTDBBEKE-XUWVNRHRSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000422877104 394844865 /nfs/dbraw/zinc/84/48/65/394844865.db2.gz QZSFURQQSMJYJD-AIANPOQGSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000422877104 394844867 /nfs/dbraw/zinc/84/48/67/394844867.db2.gz QZSFURQQSMJYJD-AIANPOQGSA-N 2 1 279.472 2.370 20 0 CEADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000422895487 394853567 /nfs/dbraw/zinc/85/35/67/394853567.db2.gz WEOGJHSTTWBKMG-QLFBSQMISA-N 2 1 263.360 2.231 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422897927 394856143 /nfs/dbraw/zinc/85/61/43/394856143.db2.gz KSZLYTORNXXJPI-LSDHHAIUSA-N 2 1 274.412 2.041 20 0 CEADMP CC(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415033769 394856677 /nfs/dbraw/zinc/85/66/77/394856677.db2.gz HEIUIZOZAHDHQF-INIZCTEOSA-N 2 1 262.397 2.278 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422906837 394858411 /nfs/dbraw/zinc/85/84/11/394858411.db2.gz KLPQNFPVPRNBEM-KFWWJZLASA-N 2 1 253.434 2.110 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422906837 394858415 /nfs/dbraw/zinc/85/84/15/394858415.db2.gz KLPQNFPVPRNBEM-KFWWJZLASA-N 2 1 253.434 2.110 20 0 CEADMP Cc1nc2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)cc2s1 ZINC000415037390 394858673 /nfs/dbraw/zinc/85/86/73/394858673.db2.gz LAGBICQALWOFCN-CYBMUJFWSA-N 2 1 291.420 2.073 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCCC[NH3+])C[C@H]1c1ccccc1 ZINC000423322824 394889800 /nfs/dbraw/zinc/88/98/00/394889800.db2.gz ISWSAOPEWKRVND-HOTGVXAUSA-N 3 1 261.413 2.150 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCC[NH3+])C[C@H]1c1ccccc1 ZINC000423322824 394889803 /nfs/dbraw/zinc/88/98/03/394889803.db2.gz ISWSAOPEWKRVND-HOTGVXAUSA-N 3 1 261.413 2.150 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)CCCO1 ZINC000415101689 394890253 /nfs/dbraw/zinc/89/02/53/394890253.db2.gz CJMZDFCBPQOPBO-QGZVFWFLSA-N 2 1 290.407 2.025 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)CCCO1 ZINC000415101689 394890256 /nfs/dbraw/zinc/89/02/56/394890256.db2.gz CJMZDFCBPQOPBO-QGZVFWFLSA-N 2 1 290.407 2.025 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000337407371 394891762 /nfs/dbraw/zinc/89/17/62/394891762.db2.gz SZSPHCFWHRGZMX-IJEWVQPXSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH2+]CCNC(=O)c1ccccc1Cl ZINC000415121720 394896435 /nfs/dbraw/zinc/89/64/35/394896435.db2.gz ZJLVTDPHOFWEKH-GFCCVEGCSA-N 2 1 297.830 2.033 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCNC[C@H]2c2ccccc2)CC[NH2+]1 ZINC000415121407 394896750 /nfs/dbraw/zinc/89/67/50/394896750.db2.gz HCLZZIRRUSWEEL-VYDXJSESSA-N 2 1 273.424 2.021 20 0 CEADMP C[C@@H]1C[C@@H](CN2CC[NH2+]C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000415121407 394896755 /nfs/dbraw/zinc/89/67/55/394896755.db2.gz HCLZZIRRUSWEEL-VYDXJSESSA-N 2 1 273.424 2.021 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000415125785 394899266 /nfs/dbraw/zinc/89/92/66/394899266.db2.gz FIBZKGGXSQUSRL-UHFFFAOYSA-N 2 1 262.397 2.441 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000415125785 394899269 /nfs/dbraw/zinc/89/92/69/394899269.db2.gz FIBZKGGXSQUSRL-UHFFFAOYSA-N 2 1 262.397 2.441 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000423353933 394899365 /nfs/dbraw/zinc/89/93/65/394899365.db2.gz FIUMXWDVIXCWDC-ARFHVFGLSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC[NH2+]1 ZINC000423368194 394903346 /nfs/dbraw/zinc/90/33/46/394903346.db2.gz DURSOJGDFABARY-OLMNPRSZSA-N 2 1 296.418 2.491 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@@H]2CCC[C@@H]21 ZINC000423386602 394909260 /nfs/dbraw/zinc/90/92/60/394909260.db2.gz LZXIIINIDLMBHC-BZSNNMDCSA-N 3 1 285.435 2.252 20 0 CEADMP C[N@@H+]1CC[C@H](NCc2ccc3c(c2)C[NH2+]C3)[C@@H]2CCC[C@@H]21 ZINC000423386602 394909264 /nfs/dbraw/zinc/90/92/64/394909264.db2.gz LZXIIINIDLMBHC-BZSNNMDCSA-N 2 1 285.435 2.252 20 0 CEADMP C[N@H+]1CC[C@H](NCc2ccc3c(c2)C[NH2+]C3)[C@@H]2CCC[C@@H]21 ZINC000423386602 394909266 /nfs/dbraw/zinc/90/92/66/394909266.db2.gz LZXIIINIDLMBHC-BZSNNMDCSA-N 2 1 285.435 2.252 20 0 CEADMP CN1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@@H]2CCC[C@@H]21 ZINC000423386602 394909268 /nfs/dbraw/zinc/90/92/68/394909268.db2.gz LZXIIINIDLMBHC-BZSNNMDCSA-N 2 1 285.435 2.252 20 0 CEADMP CO[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000131454688 394909759 /nfs/dbraw/zinc/90/97/59/394909759.db2.gz GUZAOEHREAXKMY-BPUTZDHNSA-N 2 1 262.397 2.304 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC3(C[NH3+])CC3)c2C1 ZINC000423388288 394910588 /nfs/dbraw/zinc/91/05/88/394910588.db2.gz NJRVHNDQMANNRG-UHFFFAOYSA-N 2 1 287.407 2.480 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)CC3(C[NH3+])CC3)c2C1 ZINC000423388288 394910589 /nfs/dbraw/zinc/91/05/89/394910589.db2.gz NJRVHNDQMANNRG-UHFFFAOYSA-N 2 1 287.407 2.480 20 0 CEADMP CC[NH2+][C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423391970 394911783 /nfs/dbraw/zinc/91/17/83/394911783.db2.gz XDOGZDPTLHKWNM-BFYDXBDKSA-N 2 1 275.440 2.237 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCO[C@@H]2CCCCO2)CC[N@@H+]1C ZINC000338305240 394913350 /nfs/dbraw/zinc/91/33/50/394913350.db2.gz LFPPXTSYYSQTEB-BZUAXINKSA-N 2 1 284.444 2.334 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCO[C@@H]2CCCCO2)CC[N@H+]1C ZINC000338305240 394913354 /nfs/dbraw/zinc/91/33/54/394913354.db2.gz LFPPXTSYYSQTEB-BZUAXINKSA-N 2 1 284.444 2.334 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCCO[C@@H]2CCCCO2)CC[NH+]1C ZINC000338305240 394913356 /nfs/dbraw/zinc/91/33/56/394913356.db2.gz LFPPXTSYYSQTEB-BZUAXINKSA-N 2 1 284.444 2.334 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCCO[C@@H]2CCCCO2)CC[NH+]1C ZINC000338305240 394913358 /nfs/dbraw/zinc/91/33/58/394913358.db2.gz LFPPXTSYYSQTEB-BZUAXINKSA-N 2 1 284.444 2.334 20 0 CEADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)C[NH3+])cc1OC ZINC000423399145 394914584 /nfs/dbraw/zinc/91/45/84/394914584.db2.gz PKXUQEMYPCSVOQ-TUAOUCFPSA-N 2 1 266.385 2.133 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423397569 394915053 /nfs/dbraw/zinc/91/50/53/394915053.db2.gz TXWRRRKYSNXTPX-IGCXYCKISA-N 3 1 273.424 2.108 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000423397569 394915057 /nfs/dbraw/zinc/91/50/57/394915057.db2.gz TXWRRRKYSNXTPX-IGCXYCKISA-N 2 1 273.424 2.108 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000423397569 394915061 /nfs/dbraw/zinc/91/50/61/394915061.db2.gz TXWRRRKYSNXTPX-IGCXYCKISA-N 2 1 273.424 2.108 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2[NH2+]CCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000423429563 394920422 /nfs/dbraw/zinc/92/04/22/394920422.db2.gz PAVIHERKTYLRBS-YDZRNGNQSA-N 2 1 299.462 2.336 20 0 CEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cnc2ccsc2c1 ZINC000423428959 394920795 /nfs/dbraw/zinc/92/07/95/394920795.db2.gz JSZKMRMWXVDBPE-HJUHTLPRSA-N 2 1 259.378 2.165 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423442133 394922099 /nfs/dbraw/zinc/92/20/99/394922099.db2.gz UYWJOAQRVNVZIA-YCPHGPKFSA-N 3 1 263.429 2.052 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1c2ccccc2CC[C@H]1CO ZINC000365225871 394922253 /nfs/dbraw/zinc/92/22/53/394922253.db2.gz WMQPRXAJWOGHRJ-JZXOWHBKSA-N 2 1 288.435 2.356 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000132162275 394926400 /nfs/dbraw/zinc/92/64/00/394926400.db2.gz POANBDWFRCFKOD-HOCLYGCPSA-N 2 1 288.439 2.112 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000132162275 394926404 /nfs/dbraw/zinc/92/64/04/394926404.db2.gz POANBDWFRCFKOD-HOCLYGCPSA-N 2 1 288.439 2.112 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1CCOCC1 ZINC000423501337 394937190 /nfs/dbraw/zinc/93/71/90/394937190.db2.gz DIQQADFVHTXALU-XOKHGSTOSA-N 2 1 274.408 2.147 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C12CCC2 ZINC000423503044 394938179 /nfs/dbraw/zinc/93/81/79/394938179.db2.gz MIKCWPBEJMXJMP-RRFJBIMHSA-N 2 1 266.429 2.441 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccs1 ZINC000423511207 394942667 /nfs/dbraw/zinc/94/26/67/394942667.db2.gz KAWXIFWXRGNBNW-NWDGAFQWSA-N 2 1 254.399 2.167 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc2c(c1)CCC2 ZINC000423522732 394944016 /nfs/dbraw/zinc/94/40/16/394944016.db2.gz RNMVPPJBTRWUJJ-DYVFJYSZSA-N 2 1 274.408 2.204 20 0 CEADMP CSc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423523340 394945329 /nfs/dbraw/zinc/94/53/29/394945329.db2.gz RXXVCFAWKKFQKV-TZMCWYRMSA-N 2 1 280.437 2.438 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340227701 394980957 /nfs/dbraw/zinc/98/09/57/394980957.db2.gz CHVXFDKUUWBGEU-KBPBESRZSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CCn2cccn2)C[C@@H]1c1ccccc1 ZINC000340274906 394981840 /nfs/dbraw/zinc/98/18/40/394981840.db2.gz ADZJLFMRZDTCMX-IAGOWNOFSA-N 2 1 284.407 2.308 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCn2cccn2)C[C@@H]1c1ccccc1 ZINC000340274906 394981844 /nfs/dbraw/zinc/98/18/44/394981844.db2.gz ADZJLFMRZDTCMX-IAGOWNOFSA-N 2 1 284.407 2.308 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CS1 ZINC000368466633 394987369 /nfs/dbraw/zinc/98/73/69/394987369.db2.gz RKWYYFOJUICKIU-XQLPTFJDSA-N 2 1 298.496 2.359 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CS1 ZINC000368466633 394987370 /nfs/dbraw/zinc/98/73/70/394987370.db2.gz RKWYYFOJUICKIU-XQLPTFJDSA-N 2 1 298.496 2.359 20 0 CEADMP CC(C)COCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000369520519 394999683 /nfs/dbraw/zinc/99/96/83/394999683.db2.gz RFVAKDZTGDOZRV-UHFFFAOYSA-N 2 1 268.445 2.467 20 0 CEADMP COCc1cnc(C[N@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000342719507 395020916 /nfs/dbraw/zinc/02/09/16/395020916.db2.gz FAWKYCBWIAMFTN-UHFFFAOYSA-N 2 1 283.441 2.063 20 0 CEADMP COCc1cnc(C[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000342719507 395020921 /nfs/dbraw/zinc/02/09/21/395020921.db2.gz FAWKYCBWIAMFTN-UHFFFAOYSA-N 2 1 283.441 2.063 20 0 CEADMP COC(C)(C)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339437801 394960684 /nfs/dbraw/zinc/96/06/84/394960684.db2.gz MLVGOLHOHVGYBU-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP COC(C)(C)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339437801 394960688 /nfs/dbraw/zinc/96/06/88/394960688.db2.gz MLVGOLHOHVGYBU-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP COC(C)(C)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339437801 394960692 /nfs/dbraw/zinc/96/06/92/394960692.db2.gz MLVGOLHOHVGYBU-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000344140672 395050720 /nfs/dbraw/zinc/05/07/20/395050720.db2.gz WMWQNAQHZXKFNA-OEAJRASXSA-N 2 1 266.429 2.121 20 0 CEADMP CC(C)[N@H+](Cc1ccco1)Cc1cnc(N(C)C)n1C ZINC000425329872 395058716 /nfs/dbraw/zinc/05/87/16/395058716.db2.gz UWQPFLANJOBODZ-UHFFFAOYSA-N 2 1 276.384 2.490 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)C[NH+](C)C ZINC000425935927 395070676 /nfs/dbraw/zinc/07/06/76/395070676.db2.gz GMFZQZCZPXRFBY-CYBMUJFWSA-N 3 1 255.450 2.037 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCOC2(CCCC2)C1 ZINC000162287864 395072585 /nfs/dbraw/zinc/07/25/85/395072585.db2.gz ISVUXISLWAXNDA-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[NH+](CC)CC ZINC000345792249 395077353 /nfs/dbraw/zinc/07/73/53/395077353.db2.gz CGMLRPNPRQYIEI-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000163092201 395080343 /nfs/dbraw/zinc/08/03/43/395080343.db2.gz QAZGXWZTMRKWRI-CQSZACIVSA-N 2 1 262.401 2.073 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000289734427 395085516 /nfs/dbraw/zinc/08/55/16/395085516.db2.gz HVDNDTKAYUCOFM-IAGOWNOFSA-N 2 1 274.408 2.279 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000289734427 395085517 /nfs/dbraw/zinc/08/55/17/395085517.db2.gz HVDNDTKAYUCOFM-IAGOWNOFSA-N 2 1 274.408 2.279 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000289734427 395085520 /nfs/dbraw/zinc/08/55/20/395085520.db2.gz HVDNDTKAYUCOFM-IAGOWNOFSA-N 2 1 274.408 2.279 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000289734427 395085522 /nfs/dbraw/zinc/08/55/22/395085522.db2.gz HVDNDTKAYUCOFM-IAGOWNOFSA-N 2 1 274.408 2.279 20 0 CEADMP C[C@@H]1[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)CC[N@@H+]1C ZINC000426936104 395086123 /nfs/dbraw/zinc/08/61/23/395086123.db2.gz XWJJWLHBYUDDEX-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC000346114626 395088229 /nfs/dbraw/zinc/08/82/29/395088229.db2.gz PCXHEAFTEMWZPK-OAHLLOKOSA-N 2 1 283.460 2.097 20 0 CEADMP Cc1ccc([C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000173785961 395115475 /nfs/dbraw/zinc/11/54/75/395115475.db2.gz LTVNZWVBGIRVOT-AEFFLSMTSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000173785961 395115478 /nfs/dbraw/zinc/11/54/78/395115478.db2.gz LTVNZWVBGIRVOT-AEFFLSMTSA-N 2 1 288.435 2.446 20 0 CEADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000494555906 395120845 /nfs/dbraw/zinc/12/08/45/395120845.db2.gz SBVIETMRCNMLFK-OLZOCXBDSA-N 2 1 299.459 2.362 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCO1 ZINC000346835569 395109599 /nfs/dbraw/zinc/10/95/99/395109599.db2.gz UAAIRCPBUGJKIY-LEOABGAYSA-N 2 1 266.429 2.251 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)CCCC[NH3+] ZINC000494713834 395139735 /nfs/dbraw/zinc/13/97/35/395139735.db2.gz VSSDOTZGOAMYPL-ZDUSSCGKSA-N 2 1 280.416 2.030 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000417847806 395145514 /nfs/dbraw/zinc/14/55/14/395145514.db2.gz AUIVAHVJXRKWCS-UHFFFAOYSA-N 2 1 291.439 2.208 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000417847806 395145518 /nfs/dbraw/zinc/14/55/18/395145518.db2.gz AUIVAHVJXRKWCS-UHFFFAOYSA-N 2 1 291.439 2.208 20 0 CEADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497149790 395162668 /nfs/dbraw/zinc/16/26/68/395162668.db2.gz SONUPJKPRVXGPO-JHJVBQTASA-N 2 1 285.432 2.101 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351712186 395230133 /nfs/dbraw/zinc/23/01/33/395230133.db2.gz NHPWBEUARHUGIF-CWRNSKLLSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351712186 395230136 /nfs/dbraw/zinc/23/01/36/395230136.db2.gz NHPWBEUARHUGIF-CWRNSKLLSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351712186 395230138 /nfs/dbraw/zinc/23/01/38/395230138.db2.gz NHPWBEUARHUGIF-CWRNSKLLSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351712186 395230141 /nfs/dbraw/zinc/23/01/41/395230141.db2.gz NHPWBEUARHUGIF-CWRNSKLLSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000398232040 395230906 /nfs/dbraw/zinc/23/09/06/395230906.db2.gz XDIHJFHQNPEGPL-KBAYOESNSA-N 2 1 287.451 2.239 20 0 CEADMP CO[C@@H](CC(C)C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000419292492 395254823 /nfs/dbraw/zinc/25/48/23/395254823.db2.gz SZGIHENCLWGDBO-LSDHHAIUSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@@H](CC(C)C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000419292492 395254825 /nfs/dbraw/zinc/25/48/25/395254825.db2.gz SZGIHENCLWGDBO-LSDHHAIUSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@@H](CC(C)C)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000419292492 395254828 /nfs/dbraw/zinc/25/48/28/395254828.db2.gz SZGIHENCLWGDBO-LSDHHAIUSA-N 2 1 254.418 2.075 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000352378527 395250456 /nfs/dbraw/zinc/25/04/56/395250456.db2.gz NRSLOFQHCIDQNJ-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP CC1CCC2(CC1)OC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)O2 ZINC000180003772 395199151 /nfs/dbraw/zinc/19/91/51/395199151.db2.gz CNEPAYBXDJGXOI-IZTSSTLKSA-N 2 1 296.455 2.381 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C[NH3+])C(C)C)C1 ZINC000433158107 395206193 /nfs/dbraw/zinc/20/61/93/395206193.db2.gz IRDSQCJBIZFUGF-LSDHHAIUSA-N 2 1 297.487 2.234 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1cccs1 ZINC000519683997 395207697 /nfs/dbraw/zinc/20/76/97/395207697.db2.gz NHEALWNLPUUUCQ-CHWSQXEVSA-N 2 1 268.426 2.198 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1cccs1 ZINC000519683997 395207699 /nfs/dbraw/zinc/20/76/99/395207699.db2.gz NHEALWNLPUUUCQ-CHWSQXEVSA-N 2 1 268.426 2.198 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000519683997 395207701 /nfs/dbraw/zinc/20/77/01/395207701.db2.gz NHEALWNLPUUUCQ-CHWSQXEVSA-N 2 1 268.426 2.198 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000519683997 395207705 /nfs/dbraw/zinc/20/77/05/395207705.db2.gz NHEALWNLPUUUCQ-CHWSQXEVSA-N 2 1 268.426 2.198 20 0 CEADMP CCC[N@@H+](CCc1cccs1)C[C@@H](O)CN(C)CC ZINC000519704437 395211239 /nfs/dbraw/zinc/21/12/39/395211239.db2.gz MCRQGCFQRPEOIC-AWEZNQCLSA-N 2 1 284.469 2.315 20 0 CEADMP CCC[NH+](CCc1cccs1)C[C@@H](O)C[N@H+](C)CC ZINC000519704437 395211247 /nfs/dbraw/zinc/21/12/47/395211247.db2.gz MCRQGCFQRPEOIC-AWEZNQCLSA-N 2 1 284.469 2.315 20 0 CEADMP CCC[NH+](CCc1cccs1)C[C@@H](O)C[N@@H+](C)CC ZINC000519704437 395211248 /nfs/dbraw/zinc/21/12/48/395211248.db2.gz MCRQGCFQRPEOIC-AWEZNQCLSA-N 2 1 284.469 2.315 20 0 CEADMP CC(C)[C@@H]1CCCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000395944100 395214244 /nfs/dbraw/zinc/21/42/44/395214244.db2.gz CHBFPVFSGQQMIC-NSHDSACASA-N 2 1 266.389 2.274 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000397316581 395223218 /nfs/dbraw/zinc/22/32/18/395223218.db2.gz RFSJCGIMVZAYIL-RBGFHDKUSA-N 2 1 295.471 2.081 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000397316581 395223219 /nfs/dbraw/zinc/22/32/19/395223219.db2.gz RFSJCGIMVZAYIL-RBGFHDKUSA-N 2 1 295.471 2.081 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2[C@H](C)CCC[C@H]2C)C[C@@H]1C[NH3+] ZINC000397316583 395223228 /nfs/dbraw/zinc/22/32/28/395223228.db2.gz RFSJCGIMVZAYIL-SUJAAXHWSA-N 2 1 295.471 2.081 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2[C@H](C)CCC[C@H]2C)C[C@@H]1C[NH3+] ZINC000397316583 395223230 /nfs/dbraw/zinc/22/32/30/395223230.db2.gz RFSJCGIMVZAYIL-SUJAAXHWSA-N 2 1 295.471 2.081 20 0 CEADMP C[C@H]([NH3+])C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000420322053 395325232 /nfs/dbraw/zinc/32/52/32/395325232.db2.gz RXFOBRPDFDNDMA-AWEZNQCLSA-N 2 1 273.424 2.108 20 0 CEADMP CC[C@@H](F)CN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440536980 395326005 /nfs/dbraw/zinc/32/60/05/395326005.db2.gz OOKZXHVUJOIRBP-IAGOWNOFSA-N 2 1 294.414 2.303 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000353513358 395300495 /nfs/dbraw/zinc/30/04/95/395300495.db2.gz LEHZEFBJYMQTDO-ILXRZTDVSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000353547609 395301393 /nfs/dbraw/zinc/30/13/93/395301393.db2.gz YSKMOUHGEWWDTH-ZDUSSCGKSA-N 2 1 272.433 2.427 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000420298880 395304108 /nfs/dbraw/zinc/30/41/08/395304108.db2.gz ABSMCKXXJDFROJ-UHFFFAOYSA-N 2 1 263.385 2.374 20 0 CEADMP C[C@@](C[NH3+])([NH2+]CCC(=O)Nc1ccc(Cl)cc1)C1CC1 ZINC000420297975 395304286 /nfs/dbraw/zinc/30/42/86/395304286.db2.gz ZJKCFDLEVOEHRR-HNNXBMFYSA-N 2 1 295.814 2.386 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000420300900 395305604 /nfs/dbraw/zinc/30/56/04/395305604.db2.gz DFKUWMSZULCXTA-WCFLWFBJSA-N 2 1 294.420 2.094 20 0 CEADMP c1cc([C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)cs1 ZINC000420299829 395305977 /nfs/dbraw/zinc/30/59/77/395305977.db2.gz JMCSCCHTHYKIAU-TZMCWYRMSA-N 2 1 266.410 2.121 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCSC[C@H]2C)cc1 ZINC000420308131 395312796 /nfs/dbraw/zinc/31/27/96/395312796.db2.gz SBAWUPMVSHTORT-TZMCWYRMSA-N 2 1 280.437 2.175 20 0 CEADMP OCCC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000420309026 395313414 /nfs/dbraw/zinc/31/34/14/395313414.db2.gz STOYZUIGAJFCKU-YJBOKZPZSA-N 2 1 288.435 2.358 20 0 CEADMP COC(=O)c1ccccc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420316984 395320548 /nfs/dbraw/zinc/32/05/48/395320548.db2.gz TYFDCCSHYHSDTB-CQSZACIVSA-N 2 1 276.380 2.047 20 0 CEADMP COC(=O)c1ccccc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420316984 395320551 /nfs/dbraw/zinc/32/05/51/395320551.db2.gz TYFDCCSHYHSDTB-CQSZACIVSA-N 2 1 276.380 2.047 20 0 CEADMP Clc1cccc([C@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)c1 ZINC000420320024 395321531 /nfs/dbraw/zinc/32/15/31/395321531.db2.gz QBMJPMQAHQLELE-MRXNPFEDSA-N 2 1 293.842 2.382 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000420319492 395322583 /nfs/dbraw/zinc/32/25/83/395322583.db2.gz PPVFBSJEMWAJOG-HUUCEWRRSA-N 2 1 290.407 2.148 20 0 CEADMP [NH3+]CCC[N@H+](CC(=O)NC1CCCCC1)CC1CCCC1 ZINC000352504163 395260028 /nfs/dbraw/zinc/26/00/28/395260028.db2.gz NXIZURPVKRLULL-UHFFFAOYSA-N 2 1 295.471 2.276 20 0 CEADMP C[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)C1(C[NH3+])CCC1 ZINC000420320310 395324278 /nfs/dbraw/zinc/32/42/78/395324278.db2.gz BERJQBQDXNSMQZ-UHFFFAOYSA-N 2 1 297.349 2.107 20 0 CEADMP C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)C1(C[NH3+])CCC1 ZINC000420320310 395324282 /nfs/dbraw/zinc/32/42/82/395324282.db2.gz BERJQBQDXNSMQZ-UHFFFAOYSA-N 2 1 297.349 2.107 20 0 CEADMP CC(C)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)CC1CCC1 ZINC000420371661 395356718 /nfs/dbraw/zinc/35/67/18/395356718.db2.gz KVZRTMJCXUHWPU-UHFFFAOYSA-N 2 1 266.389 2.274 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420374136 395360758 /nfs/dbraw/zinc/36/07/58/395360758.db2.gz NIYAONQHFXCSMZ-RDJZCZTQSA-N 2 1 296.455 2.287 20 0 CEADMP Cc1ccoc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000355213796 395369862 /nfs/dbraw/zinc/36/98/62/395369862.db2.gz RMUPIOGCCGWZPG-SOUVJXGZSA-N 2 1 278.396 2.272 20 0 CEADMP Cc1ccoc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000355213796 395369866 /nfs/dbraw/zinc/36/98/66/395369866.db2.gz RMUPIOGCCGWZPG-SOUVJXGZSA-N 2 1 278.396 2.272 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355223220 395373768 /nfs/dbraw/zinc/37/37/68/395373768.db2.gz PYAJLKCSZZARKB-NXHRZFHOSA-N 2 1 287.451 2.048 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355223220 395373770 /nfs/dbraw/zinc/37/37/70/395373770.db2.gz PYAJLKCSZZARKB-NXHRZFHOSA-N 2 1 287.451 2.048 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355223220 395373773 /nfs/dbraw/zinc/37/37/73/395373773.db2.gz PYAJLKCSZZARKB-NXHRZFHOSA-N 2 1 287.451 2.048 20 0 CEADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355223220 395373775 /nfs/dbraw/zinc/37/37/75/395373775.db2.gz PYAJLKCSZZARKB-NXHRZFHOSA-N 2 1 287.451 2.048 20 0 CEADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355223220 395373777 /nfs/dbraw/zinc/37/37/77/395373777.db2.gz PYAJLKCSZZARKB-NXHRZFHOSA-N 2 1 287.451 2.048 20 0 CEADMP c1ccc(C[N@H+](C[C@@H]2CCOC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435626642 395379830 /nfs/dbraw/zinc/37/98/30/395379830.db2.gz LIYUQKLFNQXFPL-DOTOQJQBSA-N 2 1 289.423 2.062 20 0 CEADMP c1ccc(C[N@H+](C[C@@H]2CCOC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435626644 395380269 /nfs/dbraw/zinc/38/02/69/395380269.db2.gz LIYUQKLFNQXFPL-RDJZCZTQSA-N 2 1 289.423 2.062 20 0 CEADMP CC[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]CC1 ZINC000435627543 395380289 /nfs/dbraw/zinc/38/02/89/395380289.db2.gz NZLXCGAVKPOVER-ARFHVFGLSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]CC1 ZINC000435627543 395380292 /nfs/dbraw/zinc/38/02/92/395380292.db2.gz NZLXCGAVKPOVER-ARFHVFGLSA-N 2 1 295.471 2.145 20 0 CEADMP COC(=O)C1CCC([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000192438833 395383216 /nfs/dbraw/zinc/38/32/16/395383216.db2.gz LHGYFKBWVMVYLI-UYSNPLJNSA-N 2 1 296.455 2.428 20 0 CEADMP [NH3+][C@@H](Cc1ccccc1)c1nc(C2([NH3+])CCCC2)no1 ZINC000442776038 395393592 /nfs/dbraw/zinc/39/35/92/395393592.db2.gz XQXWRNVZFZLNLW-LBPRGKRZSA-N 2 1 272.352 2.040 20 0 CEADMP C[NH2+]CCC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000435883949 395393744 /nfs/dbraw/zinc/39/37/44/395393744.db2.gz NMBYAUOVAFNYPF-QGZVFWFLSA-N 2 1 276.424 2.320 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420343303 395337361 /nfs/dbraw/zinc/33/73/61/395337361.db2.gz QMYZAIBZXFLKOR-SOUVJXGZSA-N 2 1 295.471 2.001 20 0 CEADMP Fc1ccc2c(c1)C[N@H+](CC[C@H]1CCC[NH2+]C1)CCO2 ZINC000420354226 395342823 /nfs/dbraw/zinc/34/28/23/395342823.db2.gz CNTKHXVJOFWYEE-CYBMUJFWSA-N 2 1 278.371 2.410 20 0 CEADMP CC[N@H+](CCc1nccs1)CC[C@@H]1CC[NH2+]C1 ZINC000420355294 395343223 /nfs/dbraw/zinc/34/32/23/395343223.db2.gz FFCWYNWPQLTKFP-LBPRGKRZSA-N 2 1 253.415 2.007 20 0 CEADMP CC[N@H+](CCc1nccs1)CC[C@H]1CC[NH2+]C1 ZINC000420355293 395343349 /nfs/dbraw/zinc/34/33/49/395343349.db2.gz FFCWYNWPQLTKFP-GFCCVEGCSA-N 2 1 253.415 2.007 20 0 CEADMP CCCCOCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000440695008 395343505 /nfs/dbraw/zinc/34/35/05/395343505.db2.gz PVVIBYHKYHYROX-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP CCCCOCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000440695008 395343507 /nfs/dbraw/zinc/34/35/07/395343507.db2.gz PVVIBYHKYHYROX-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP CCCCOCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000440695008 395343509 /nfs/dbraw/zinc/34/35/09/395343509.db2.gz PVVIBYHKYHYROX-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC(F)(F)C1 ZINC000529532265 395397110 /nfs/dbraw/zinc/39/71/10/395397110.db2.gz HZXLHAITGDLQLB-GHMZBOCLSA-N 2 1 258.356 2.494 20 0 CEADMP COc1ccc(OCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420365283 395352357 /nfs/dbraw/zinc/35/23/57/395352357.db2.gz IYAIYCYMAVHUAM-KRWDZBQOSA-N 2 1 290.407 2.150 20 0 CEADMP COc1ccc(OCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420365283 395352365 /nfs/dbraw/zinc/35/23/65/395352365.db2.gz IYAIYCYMAVHUAM-KRWDZBQOSA-N 2 1 290.407 2.150 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCOCC2CCC2)CC[N@@H+]1C ZINC000445430949 395463510 /nfs/dbraw/zinc/46/35/10/395463510.db2.gz LVBAOZFWYBGNHE-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCOCC2CCC2)CC[N@H+]1C ZINC000445430949 395463512 /nfs/dbraw/zinc/46/35/12/395463512.db2.gz LVBAOZFWYBGNHE-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCOCC2CCC2)CC[NH+]1C ZINC000445430949 395463515 /nfs/dbraw/zinc/46/35/15/395463515.db2.gz LVBAOZFWYBGNHE-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCOCC2CCC2)CC[NH+]1C ZINC000445430949 395463516 /nfs/dbraw/zinc/46/35/16/395463516.db2.gz LVBAOZFWYBGNHE-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420904676 395433979 /nfs/dbraw/zinc/43/39/79/395433979.db2.gz QAIQYIMXWFRLOZ-OAHLLOKOSA-N 2 1 274.408 2.361 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420904676 395433982 /nfs/dbraw/zinc/43/39/82/395433982.db2.gz QAIQYIMXWFRLOZ-OAHLLOKOSA-N 2 1 274.408 2.361 20 0 CEADMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[NH+](C)C ZINC000529716931 395436614 /nfs/dbraw/zinc/43/66/14/395436614.db2.gz FBOODXGLUSUMQS-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1cccc(NCCNC(=O)C[C@@H]([NH3+])c2ccccc2)[nH+]1 ZINC000448238784 395511746 /nfs/dbraw/zinc/51/17/46/395511746.db2.gz HRYWPWHXJIUBKZ-OAHLLOKOSA-N 2 1 298.390 2.008 20 0 CEADMP CO[C@@H](C)c1nc(C[NH+]2CCC(CC[NH3+])CC2)cs1 ZINC000566356407 395515517 /nfs/dbraw/zinc/51/55/17/395515517.db2.gz YNKYSGOJFWISQN-NSHDSACASA-N 2 1 283.441 2.411 20 0 CEADMP [NH3+][C@@H]1CCC[C@H](NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000566483789 395530110 /nfs/dbraw/zinc/53/01/10/395530110.db2.gz YCXLJIWFEIAAJB-MSOLQXFVSA-N 2 1 287.451 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCN2CCc3ccccc3C2)C1 ZINC000566483789 395530112 /nfs/dbraw/zinc/53/01/12/395530112.db2.gz YCXLJIWFEIAAJB-MSOLQXFVSA-N 2 1 287.451 2.294 20 0 CEADMP Cc1cccc2oc(CC[NH2+][C@@H]3CCC[C@@H]3[NH3+])nc21 ZINC000565651942 395479373 /nfs/dbraw/zinc/47/93/73/395479373.db2.gz VPHIHZWTRLYWBQ-NWDGAFQWSA-N 2 1 259.353 2.148 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCCC1 ZINC000446838873 395499818 /nfs/dbraw/zinc/49/98/18/395499818.db2.gz MYHOQCWFSFWJGP-YUELXQCFSA-N 2 1 254.418 2.264 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCC1 ZINC000446838873 395499820 /nfs/dbraw/zinc/49/98/20/395499820.db2.gz MYHOQCWFSFWJGP-YUELXQCFSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)N1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000446884977 395501364 /nfs/dbraw/zinc/50/13/64/395501364.db2.gz SOIMYBFALVGLSC-UHFFFAOYSA-N 2 1 279.472 2.323 20 0 CEADMP CCOC[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561275 395554670 /nfs/dbraw/zinc/55/46/70/395554670.db2.gz UCWXHBJNKYYVNY-MOTUXRJWSA-N 2 1 266.429 2.406 20 0 CEADMP CCOC[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561277 395555003 /nfs/dbraw/zinc/55/50/03/395555003.db2.gz UCWXHBJNKYYVNY-SDKNFDLMSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000569370318 395577420 /nfs/dbraw/zinc/57/74/20/395577420.db2.gz VSJIOAJFKICUJO-JWTNVVGKSA-N 3 1 285.435 2.047 20 0 CEADMP CN(Cc1ccc2c(c1)C[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000569370318 395577422 /nfs/dbraw/zinc/57/74/22/395577422.db2.gz VSJIOAJFKICUJO-JWTNVVGKSA-N 2 1 285.435 2.047 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](C)O)C2)s1 ZINC000574281650 395627121 /nfs/dbraw/zinc/62/71/21/395627121.db2.gz WIXWWGCYWDLNTO-GXTWGEPZSA-N 2 1 282.453 2.191 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](C)O)C2)s1 ZINC000574281650 395627122 /nfs/dbraw/zinc/62/71/22/395627122.db2.gz WIXWWGCYWDLNTO-GXTWGEPZSA-N 2 1 282.453 2.191 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](C)O)C2)s1 ZINC000574281650 395627123 /nfs/dbraw/zinc/62/71/23/395627123.db2.gz WIXWWGCYWDLNTO-GXTWGEPZSA-N 2 1 282.453 2.191 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)CCC[NH3+])c1 ZINC000574638002 395633920 /nfs/dbraw/zinc/63/39/20/395633920.db2.gz WSSFFRMXZGLCNQ-UHFFFAOYSA-N 2 1 258.369 2.166 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cn2ccccc2n1 ZINC000574770797 395637255 /nfs/dbraw/zinc/63/72/55/395637255.db2.gz MJBWPARKXPEOFU-HZSPNIEDSA-N 2 1 272.396 2.468 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+](C)[C@@H]3CCN(C)C[C@H]3C)cc12 ZINC000574797488 395637596 /nfs/dbraw/zinc/63/75/96/395637596.db2.gz ZXOBBQYWLOXHMZ-IAQYHMDHSA-N 2 1 287.411 2.038 20 0 CEADMP CC(F)(F)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000574967738 395642429 /nfs/dbraw/zinc/64/24/29/395642429.db2.gz NFUZEVRXYXDEHE-UHFFFAOYSA-N 2 1 255.312 2.295 20 0 CEADMP C[C@@H](CC[NH2+]CC1(O)CCC1)[N@@H+](C)Cc1ccccc1 ZINC000574982851 395642690 /nfs/dbraw/zinc/64/26/90/395642690.db2.gz NZNHUONODRZYAF-HNNXBMFYSA-N 2 1 276.424 2.402 20 0 CEADMP CC[NH2+]CC1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000575044669 395644868 /nfs/dbraw/zinc/64/48/68/395644868.db2.gz OYLIIZPENSUYJH-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000647509894 395724279 /nfs/dbraw/zinc/72/42/79/395724279.db2.gz ORPCXDBVCGFYDJ-JSGCOSHPSA-N 2 1 255.365 2.404 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cnc3cccc(C)n23)CC[C@@H]1[NH3+] ZINC000647498464 395722102 /nfs/dbraw/zinc/72/21/02/395722102.db2.gz IAKVEXWTQYOMDL-HIFRSBDPSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cnc3cccc(C)n23)CC[C@@H]1[NH3+] ZINC000647498464 395722104 /nfs/dbraw/zinc/72/21/04/395722104.db2.gz IAKVEXWTQYOMDL-HIFRSBDPSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)CC[C@@H]1[NH3+] ZINC000647498739 395722110 /nfs/dbraw/zinc/72/21/10/395722110.db2.gz PAXBMYGGOBCJBL-WBVHZDCISA-N 2 1 284.407 2.432 20 0 CEADMP C(C[NH2+]C1CCCCCC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647546562 395732025 /nfs/dbraw/zinc/73/20/25/395732025.db2.gz PLKVDNVBDNOWBV-HLLBOEOZSA-N 2 1 279.472 2.277 20 0 CEADMP C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NC1CCCCCC1 ZINC000647546562 395732027 /nfs/dbraw/zinc/73/20/27/395732027.db2.gz PLKVDNVBDNOWBV-HLLBOEOZSA-N 2 1 279.472 2.277 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000647517340 395725062 /nfs/dbraw/zinc/72/50/62/395725062.db2.gz FOEYJNGOYHURQK-QZTJIDSGSA-N 2 1 287.451 2.192 20 0 CEADMP c1csc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647542913 395731141 /nfs/dbraw/zinc/73/11/41/395731141.db2.gz DRBPHTSSZYJZIK-CHWSQXEVSA-N 2 1 265.426 2.355 20 0 CEADMP c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647544180 395731480 /nfs/dbraw/zinc/73/14/80/395731480.db2.gz XUNMSGUMWSWONZ-LSDHHAIUSA-N 2 1 259.397 2.293 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647790364 395755238 /nfs/dbraw/zinc/75/52/38/395755238.db2.gz WVKLJQUITSOUPO-ZJPYXAASSA-N 3 1 293.499 2.476 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647789755 395755250 /nfs/dbraw/zinc/75/52/50/395755250.db2.gz KMKZROIYUBNUJA-IGKNDFSCSA-N 3 1 293.499 2.332 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC(=O)NCC2CCCCC2)CC[C@H]1[NH3+] ZINC000647936943 395779543 /nfs/dbraw/zinc/77/95/43/395779543.db2.gz NXGBVHLZOOEVFM-HZPDHXFCSA-N 2 1 295.471 2.132 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000647937081 395780434 /nfs/dbraw/zinc/78/04/34/395780434.db2.gz QPUAIGIWOYGGER-NVXWUHKLSA-N 2 1 292.423 2.141 20 0 CEADMP c1ccc(C[N@@H+](C[C@H]2CC[NH2+]C2)C[C@@H]2CCCO2)cc1 ZINC000647881596 395768441 /nfs/dbraw/zinc/76/84/41/395768441.db2.gz QROCVWYTFAUQEL-IRXDYDNUSA-N 2 1 274.408 2.277 20 0 CEADMP CC(C)Cn1nccc1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000648002398 395799687 /nfs/dbraw/zinc/79/96/87/395799687.db2.gz UBFKHZRCZCQAAE-OAHLLOKOSA-N 2 1 278.444 2.313 20 0 CEADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(C)C ZINC000648781409 395982121 /nfs/dbraw/zinc/98/21/21/395982121.db2.gz GIGCNIMFRBXWCJ-BZUAXINKSA-N 2 1 297.487 2.199 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](C)CO)C2)s1 ZINC000649603544 396207551 /nfs/dbraw/zinc/20/75/51/396207551.db2.gz SGKJAVLIDGHZCL-UKRRQHHQSA-N 2 1 296.480 2.439 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](C)CO)C2)s1 ZINC000649603544 396207553 /nfs/dbraw/zinc/20/75/53/396207553.db2.gz SGKJAVLIDGHZCL-UKRRQHHQSA-N 2 1 296.480 2.439 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](C)CO)C2)s1 ZINC000649603544 396207554 /nfs/dbraw/zinc/20/75/54/396207554.db2.gz SGKJAVLIDGHZCL-UKRRQHHQSA-N 2 1 296.480 2.439 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@H]1CCC[NH+]1C ZINC000649537138 396182071 /nfs/dbraw/zinc/18/20/71/396182071.db2.gz ULIHDAGVFNCFOK-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1C[C@H]1CCC[N@@H+]1C ZINC000649537138 396182072 /nfs/dbraw/zinc/18/20/72/396182072.db2.gz ULIHDAGVFNCFOK-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1C[C@H]1CCC[N@H+]1C ZINC000649537138 396182076 /nfs/dbraw/zinc/18/20/76/396182076.db2.gz ULIHDAGVFNCFOK-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP CC[C@H]1COC(C)(C)C[N@@H+]1CCCn1cc[nH+]c1C ZINC000649716963 396237322 /nfs/dbraw/zinc/23/73/22/396237322.db2.gz RMKZJNGSVXKJJQ-AWEZNQCLSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@H]1COC(C)(C)C[N@H+]1CCCn1cc[nH+]c1C ZINC000649716963 396237326 /nfs/dbraw/zinc/23/73/26/396237326.db2.gz RMKZJNGSVXKJJQ-AWEZNQCLSA-N 2 1 265.401 2.471 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1c[nH+]c2c1CCCC2 ZINC000649749829 396249467 /nfs/dbraw/zinc/24/94/67/396249467.db2.gz VOCPVRFUKFRWMX-MRXNPFEDSA-N 2 1 299.418 2.255 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1c[nH+]c2c1CCCC2 ZINC000649749829 396249470 /nfs/dbraw/zinc/24/94/70/396249470.db2.gz VOCPVRFUKFRWMX-MRXNPFEDSA-N 2 1 299.418 2.255 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000646098132 396291967 /nfs/dbraw/zinc/29/19/67/396291967.db2.gz KVSKDNFIIHEVKK-CQSZACIVSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000646098132 396291969 /nfs/dbraw/zinc/29/19/69/396291969.db2.gz KVSKDNFIIHEVKK-CQSZACIVSA-N 2 1 277.412 2.473 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1C1CCC1)C1CC1 ZINC000646139878 396304011 /nfs/dbraw/zinc/30/40/11/396304011.db2.gz GATIGRXBLLOISM-CVEARBPZSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1C1CCC1)C1CC1 ZINC000646139878 396304013 /nfs/dbraw/zinc/30/40/13/396304013.db2.gz GATIGRXBLLOISM-CVEARBPZSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@H]1C1CCC1)C1CC1 ZINC000646139878 396304015 /nfs/dbraw/zinc/30/40/15/396304015.db2.gz GATIGRXBLLOISM-CVEARBPZSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@H]1C1CCC1)C1CC1 ZINC000646139878 396304016 /nfs/dbraw/zinc/30/40/16/396304016.db2.gz GATIGRXBLLOISM-CVEARBPZSA-N 2 1 266.429 2.096 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CO[C@H](C)C2)c1 ZINC000647179857 396431409 /nfs/dbraw/zinc/43/14/09/396431409.db2.gz SHMFJMDASNQDTJ-CZUORRHYSA-N 2 1 262.397 2.405 20 0 CEADMP Cc1ccccc1-n1cc(C[NH2+]C[C@H](C)C[NH+](C)C)cn1 ZINC000647212677 396441569 /nfs/dbraw/zinc/44/15/69/396441569.db2.gz OHFBGHVNXODLSC-AWEZNQCLSA-N 2 1 286.423 2.468 20 0 CEADMP C[C@H]1SCC[C@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000647258766 396452508 /nfs/dbraw/zinc/45/25/08/396452508.db2.gz RRGWNYATIVIOAS-ZYHUDNBSSA-N 2 1 251.399 2.131 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000036300504 400111685 /nfs/dbraw/zinc/11/16/85/400111685.db2.gz VSYKPNUMNBYVKI-UHFFFAOYSA-N 2 1 262.397 2.366 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C(C)C ZINC000037917772 400122134 /nfs/dbraw/zinc/12/21/34/400122134.db2.gz FOWOKUFWWYVFFF-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C(C)C ZINC000037917772 400122138 /nfs/dbraw/zinc/12/21/38/400122138.db2.gz FOWOKUFWWYVFFF-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[C@@H](C[NH2+]C[C@@H]1CCSC1)[NH+]1CCCC1 ZINC000224307456 400311803 /nfs/dbraw/zinc/31/18/03/400311803.db2.gz ZHRHUUUSQJDTSH-UONOGXRCSA-N 2 1 256.459 2.450 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650706651 400998868 /nfs/dbraw/zinc/99/88/68/400998868.db2.gz PEDSSROGARYQMQ-GUTXKFCHSA-N 2 1 295.452 2.170 20 0 CEADMP CC1(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CCC1 ZINC000650708091 400999940 /nfs/dbraw/zinc/99/99/40/400999940.db2.gz SWUUQOIRWVCFDE-RRFJBIMHSA-N 2 1 266.429 2.395 20 0 CEADMP CCO[C@@H]1C[N@@H+](C[C@@H](C)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000650714587 401004435 /nfs/dbraw/zinc/00/44/35/401004435.db2.gz PVMPAAAQBUPIDD-XNRPHZJLSA-N 2 1 280.387 2.225 20 0 CEADMP [NH3+]Cc1ccc(C[NH2+]Cc2cncs2)c(F)c1 ZINC000650718026 401007619 /nfs/dbraw/zinc/00/76/19/401007619.db2.gz VDDRRBBOKXRHFZ-UHFFFAOYSA-N 2 1 251.330 2.031 20 0 CEADMP Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650722356 401012305 /nfs/dbraw/zinc/01/23/05/401012305.db2.gz QGTLKVQYMYWIHU-CFVMTHIKSA-N 2 1 295.452 2.312 20 0 CEADMP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650722356 401012309 /nfs/dbraw/zinc/01/23/09/401012309.db2.gz QGTLKVQYMYWIHU-CFVMTHIKSA-N 2 1 295.452 2.312 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CNc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000650749630 401026256 /nfs/dbraw/zinc/02/62/56/401026256.db2.gz QXUBEYDTCVMBMP-CIRFHOKZSA-N 2 1 285.435 2.486 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(F)(F)F ZINC000359976665 155183286 /nfs/dbraw/zinc/18/32/86/155183286.db2.gz PEIWYXUWZFZPQJ-VWYCJHECSA-N 2 1 250.308 2.401 20 0 CEADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000368603148 286053949 /nfs/dbraw/zinc/05/39/49/286053949.db2.gz MBZVOEUNSBAVCC-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000651865263 401406195 /nfs/dbraw/zinc/40/61/95/401406195.db2.gz SCTMLMYUCZHCKZ-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651866488 401406724 /nfs/dbraw/zinc/40/67/24/401406724.db2.gz GRCOXJOOKDQCTR-UHFFFAOYSA-N 2 1 266.433 2.104 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651866488 401406728 /nfs/dbraw/zinc/40/67/28/401406728.db2.gz GRCOXJOOKDQCTR-UHFFFAOYSA-N 2 1 266.433 2.104 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652222640 401466737 /nfs/dbraw/zinc/46/67/37/401466737.db2.gz UJTQFJKMVIHJOF-GFCCVEGCSA-N 2 1 252.406 2.347 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000652222640 401466739 /nfs/dbraw/zinc/46/67/39/401466739.db2.gz UJTQFJKMVIHJOF-GFCCVEGCSA-N 2 1 252.406 2.347 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)[C@@H]1CCOC1 ZINC000652222461 401466782 /nfs/dbraw/zinc/46/67/82/401466782.db2.gz PCNOBUUGCAEXIV-HUUCEWRRSA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)OCCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348950 401491807 /nfs/dbraw/zinc/49/18/07/401491807.db2.gz WTHIFLNJZZWXFJ-ARFHVFGLSA-N 2 1 284.444 2.020 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652360400 401494281 /nfs/dbraw/zinc/49/42/81/401494281.db2.gz GRMTZRGQOHUSMP-IMJJTQAJSA-N 2 1 293.411 2.152 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000360281400 155261037 /nfs/dbraw/zinc/26/10/37/155261037.db2.gz AVLNYPPVXGZQPO-UHFFFAOYSA-N 2 1 290.411 2.207 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N2CCC2)cc1 ZINC000360435915 155297240 /nfs/dbraw/zinc/29/72/40/155297240.db2.gz IUOZIERPZLJZHW-ZDUSSCGKSA-N 2 1 298.390 2.064 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCCc3ccncc3)CC[C@H]21 ZINC000360437832 155297877 /nfs/dbraw/zinc/29/78/77/155297877.db2.gz OIWLRZWTYVYJCC-DLBZAZTESA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCCc3ccncc3)CC[C@H]21 ZINC000360437832 155297883 /nfs/dbraw/zinc/29/78/83/155297883.db2.gz OIWLRZWTYVYJCC-DLBZAZTESA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3ccncc3)CC[C@H]21 ZINC000360437832 155297886 /nfs/dbraw/zinc/29/78/86/155297886.db2.gz OIWLRZWTYVYJCC-DLBZAZTESA-N 2 1 273.424 2.430 20 0 CEADMP Cc1cccc(CCC[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193631016 153238109 /nfs/dbraw/zinc/23/81/09/153238109.db2.gz LULYLRYFPDLZTK-CALCHBBNSA-N 2 1 258.409 2.421 20 0 CEADMP Cc1cccc(CCC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193631016 153238113 /nfs/dbraw/zinc/23/81/13/153238113.db2.gz LULYLRYFPDLZTK-CALCHBBNSA-N 2 1 258.409 2.421 20 0 CEADMP Cc1cccc(CCC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193631016 153238118 /nfs/dbraw/zinc/23/81/18/153238118.db2.gz LULYLRYFPDLZTK-CALCHBBNSA-N 2 1 258.409 2.421 20 0 CEADMP CCCC[NH+]1CCC(N[C@H]2C[N@@H+](CC)C[C@@H]2C)CC1 ZINC000360862531 155387665 /nfs/dbraw/zinc/38/76/65/155387665.db2.gz WBXZYDRJCJQOLZ-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP COC1CC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000230673876 153398438 /nfs/dbraw/zinc/39/84/38/153398438.db2.gz FEXBTTREPIUNHR-UHFFFAOYSA-N 2 1 288.435 2.461 20 0 CEADMP CCS[C@@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000233841834 153420274 /nfs/dbraw/zinc/42/02/74/153420274.db2.gz YFFJZZZPGMWBBD-CHWSQXEVSA-N 2 1 253.415 2.455 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C12CCC2 ZINC000181751701 286384574 /nfs/dbraw/zinc/38/45/74/286384574.db2.gz IGNKWABRCDJHRW-LSDHHAIUSA-N 2 1 296.455 2.035 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C1(C)C ZINC000344026017 286387920 /nfs/dbraw/zinc/38/79/20/286387920.db2.gz SSKWXQPJEMGROI-MELADBBJSA-N 2 1 254.418 2.120 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263243819 154040699 /nfs/dbraw/zinc/04/06/99/154040699.db2.gz PADZLRKZFXGCIS-INMHGKMJSA-N 2 1 295.471 2.275 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000346259136 154288512 /nfs/dbraw/zinc/28/85/12/154288512.db2.gz IWAPAYSDLCNTOP-USXIJHARSA-N 2 1 279.472 2.181 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000346259136 154288515 /nfs/dbraw/zinc/28/85/15/154288515.db2.gz IWAPAYSDLCNTOP-USXIJHARSA-N 2 1 279.472 2.181 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000346259136 154288519 /nfs/dbraw/zinc/28/85/19/154288519.db2.gz IWAPAYSDLCNTOP-USXIJHARSA-N 2 1 279.472 2.181 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)CC1CCCC1 ZINC000354729348 154349014 /nfs/dbraw/zinc/34/90/14/154349014.db2.gz IZKRXIFBTYIKIK-INIZCTEOSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)CC1CCCC1 ZINC000354729348 154349020 /nfs/dbraw/zinc/34/90/20/154349020.db2.gz IZKRXIFBTYIKIK-INIZCTEOSA-N 2 1 279.428 2.455 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000357083810 154379534 /nfs/dbraw/zinc/37/95/34/154379534.db2.gz QHUVEMYKWJNODU-OAHLLOKOSA-N 2 1 254.418 2.397 20 0 CEADMP CC(C)c1noc([C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000358502045 154658945 /nfs/dbraw/zinc/65/89/45/154658945.db2.gz UUMJINGROXEUNV-LBPRGKRZSA-N 2 1 278.400 2.330 20 0 CEADMP c1ccc(OCC2CC2)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359461155 155021487 /nfs/dbraw/zinc/02/14/87/155021487.db2.gz SXBYNTWDGCBRJZ-IYBDPMFKSA-N 2 1 272.392 2.127 20 0 CEADMP c1ccc(OCC2CC2)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359461155 155021490 /nfs/dbraw/zinc/02/14/90/155021490.db2.gz SXBYNTWDGCBRJZ-IYBDPMFKSA-N 2 1 272.392 2.127 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000359544904 155049130 /nfs/dbraw/zinc/04/91/30/155049130.db2.gz XNDITMZYEIVCLT-HNNXBMFYSA-N 2 1 277.343 2.044 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000359781637 155129302 /nfs/dbraw/zinc/12/93/02/155129302.db2.gz FHVVENUFWKDWNN-KGLIPLIRSA-N 2 1 285.476 2.390 20 0 CEADMP CC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000364339600 156065185 /nfs/dbraw/zinc/06/51/85/156065185.db2.gz DUSGSZRANKLSFG-UAGQMJEPSA-N 2 1 276.424 2.258 20 0 CEADMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC000364893020 156068822 /nfs/dbraw/zinc/06/88/22/156068822.db2.gz HDJUYFJTHGYNIO-CYBMUJFWSA-N 2 1 288.370 2.409 20 0 CEADMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000364893020 156068827 /nfs/dbraw/zinc/06/88/27/156068827.db2.gz HDJUYFJTHGYNIO-CYBMUJFWSA-N 2 1 288.370 2.409 20 0 CEADMP Cc1cncc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000366776005 156079651 /nfs/dbraw/zinc/07/96/51/156079651.db2.gz XLHUTSOQXQJACL-BRWVUGGUSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cncc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000366776005 156079656 /nfs/dbraw/zinc/07/96/56/156079656.db2.gz XLHUTSOQXQJACL-BRWVUGGUSA-N 2 1 289.423 2.074 20 0 CEADMP CCSCC[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000366905078 156099791 /nfs/dbraw/zinc/09/97/91/156099791.db2.gz BDXBNZYBFHXCIA-CQSZACIVSA-N 2 1 256.459 2.403 20 0 CEADMP CSC1(C[N@H+]2CCC[C@@H](n3ccnc3)C2)CC1 ZINC000367307853 156168241 /nfs/dbraw/zinc/16/82/41/156168241.db2.gz LXBMDSZJZKTJNN-GFCCVEGCSA-N 2 1 251.399 2.416 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000367601219 156212484 /nfs/dbraw/zinc/21/24/84/156212484.db2.gz NBVKWHNKLGBLJX-BFHYXJOUSA-N 2 1 265.426 2.414 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOCC2CC2)[C@@H]2CCC[C@@H]21 ZINC000367619507 156219759 /nfs/dbraw/zinc/21/97/59/156219759.db2.gz WTFMNIZDLHFWMQ-JYJNAYRXSA-N 2 1 266.429 2.266 20 0 CEADMP CCCCC[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367670386 156222996 /nfs/dbraw/zinc/22/29/96/156222996.db2.gz FHQZPVZOARPLGD-MRXNPFEDSA-N 2 1 267.461 2.136 20 0 CEADMP C[NH+](C)CCN[C@@H]1C[C@H](C2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000367665261 156223128 /nfs/dbraw/zinc/22/31/28/156223128.db2.gz KQUNGGHEUGENKH-QZTJIDSGSA-N 2 1 287.451 2.191 20 0 CEADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OC1CCC1 ZINC000367869389 156249022 /nfs/dbraw/zinc/24/90/22/156249022.db2.gz WVGXMFSYXYIRGY-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP CCOC1CC(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000375673712 157124291 /nfs/dbraw/zinc/12/42/91/157124291.db2.gz QUKMHPVQNSMZKY-SLTAFYQDSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1cnn(C)c1C[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000375770448 157139085 /nfs/dbraw/zinc/13/90/85/157139085.db2.gz AQGRKWPPXCXNNO-UHFFFAOYSA-N 2 1 299.422 2.191 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCC[NH+](C)C1 ZINC000531616779 298113233 /nfs/dbraw/zinc/11/32/33/298113233.db2.gz UKQPANVRYJRURS-HZPDHXFCSA-N 2 1 267.461 2.134 20 0 CEADMP CN(CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCC[N@H+](C)C1 ZINC000531616779 298113235 /nfs/dbraw/zinc/11/32/35/298113235.db2.gz UKQPANVRYJRURS-HZPDHXFCSA-N 2 1 267.461 2.134 20 0 CEADMP CN(CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000531616779 298113238 /nfs/dbraw/zinc/11/32/38/298113238.db2.gz UKQPANVRYJRURS-HZPDHXFCSA-N 2 1 267.461 2.134 20 0 CEADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000164862797 162336482 /nfs/dbraw/zinc/33/64/82/162336482.db2.gz JUHTXSHUWDXENN-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000164862797 162336483 /nfs/dbraw/zinc/33/64/83/162336483.db2.gz JUHTXSHUWDXENN-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@@H](NCc2cncc(Br)c2)CC[N@H+]1C ZINC000166915974 162355015 /nfs/dbraw/zinc/35/50/15/162355015.db2.gz CJJXGFSBHGVYOP-MFKMUULPSA-N 2 1 298.228 2.416 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cncc(Br)c2)CCN1C ZINC000166915974 162355019 /nfs/dbraw/zinc/35/50/19/162355019.db2.gz CJJXGFSBHGVYOP-MFKMUULPSA-N 2 1 298.228 2.416 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000168638759 162366930 /nfs/dbraw/zinc/36/69/30/162366930.db2.gz SITMLQJIHRWHLR-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000168643637 162369783 /nfs/dbraw/zinc/36/97/83/162369783.db2.gz UJRJSNBYJFLZRY-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)OCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171306855 162382554 /nfs/dbraw/zinc/38/25/54/162382554.db2.gz MKBNCKPQRRNAQU-IYBDPMFKSA-N 2 1 298.471 2.233 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351628417 287028410 /nfs/dbraw/zinc/02/84/10/287028410.db2.gz MCGRFULXUOMBMJ-BMFZPTHFSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351628417 287028411 /nfs/dbraw/zinc/02/84/11/287028411.db2.gz MCGRFULXUOMBMJ-BMFZPTHFSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351628417 287028412 /nfs/dbraw/zinc/02/84/12/287028412.db2.gz MCGRFULXUOMBMJ-BMFZPTHFSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351628417 287028413 /nfs/dbraw/zinc/02/84/13/287028413.db2.gz MCGRFULXUOMBMJ-BMFZPTHFSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H](O)C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000305659282 287084670 /nfs/dbraw/zinc/08/46/70/287084670.db2.gz XJUJPJYKTFJXSW-CABCVRRESA-N 2 1 268.445 2.486 20 0 CEADMP C[C@@H](O)C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000305659282 287084671 /nfs/dbraw/zinc/08/46/71/287084671.db2.gz XJUJPJYKTFJXSW-CABCVRRESA-N 2 1 268.445 2.486 20 0 CEADMP C[C@@H](O)C[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000305659282 287084672 /nfs/dbraw/zinc/08/46/72/287084672.db2.gz XJUJPJYKTFJXSW-CABCVRRESA-N 2 1 268.445 2.486 20 0 CEADMP CC(C)n1cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000179905037 165291500 /nfs/dbraw/zinc/29/15/00/165291500.db2.gz AENXXVHCZJOAIS-HIFRSBDPSA-N 2 1 264.417 2.379 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@H]2COc3ccccc3O2)CC1 ZINC000020137698 171025314 /nfs/dbraw/zinc/02/53/14/171025314.db2.gz MPDRNOJOMPFPRY-HNNXBMFYSA-N 2 1 290.407 2.290 20 0 CEADMP CC(C)[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000020524034 171236243 /nfs/dbraw/zinc/23/62/43/171236243.db2.gz AZYMLVGFWDFXAS-MQVJKMGUSA-N 2 1 265.445 2.074 20 0 CEADMP CC(C)C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000020524051 171236296 /nfs/dbraw/zinc/23/62/96/171236296.db2.gz RKHJEDIQCUJSDP-UYTSQGDYSA-N 2 1 267.461 2.178 20 0 CEADMP O[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000037489979 173231425 /nfs/dbraw/zinc/23/14/25/173231425.db2.gz ZBJNMKMJXVIUJY-SJORKVTESA-N 2 1 274.408 2.154 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccc(OC)cc2OC)CC[C@@H]1[NH3+] ZINC000122319278 414788713 /nfs/dbraw/zinc/78/87/13/414788713.db2.gz BFZMGMNFIOSEBI-WFASDCNBSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)cc2OC)CC[C@@H]1[NH3+] ZINC000122319278 414788720 /nfs/dbraw/zinc/78/87/20/414788720.db2.gz BFZMGMNFIOSEBI-WFASDCNBSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2sc(C)nc2C)CC[C@@H]1[NH3+] ZINC000122304502 414788739 /nfs/dbraw/zinc/78/87/39/414788739.db2.gz QTPBJQHLGVKYML-NEPJUHHUSA-N 2 1 253.415 2.319 20 0 CEADMP C[N@@H+]1CCN(C(=O)CCC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000070086415 414763922 /nfs/dbraw/zinc/76/39/22/414763922.db2.gz GYVNPECAYQJQIS-OAHLLOKOSA-N 2 1 289.423 2.019 20 0 CEADMP C[N@H+]1CCN(C(=O)CCC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000070086415 414763928 /nfs/dbraw/zinc/76/39/28/414763928.db2.gz GYVNPECAYQJQIS-OAHLLOKOSA-N 2 1 289.423 2.019 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](CC)CO1 ZINC000403778241 414767249 /nfs/dbraw/zinc/76/72/49/414767249.db2.gz FQBSNBQNJWTUGP-LJISPDSOSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000070359412 414771255 /nfs/dbraw/zinc/77/12/55/414771255.db2.gz JYESITPEYQATNY-ZIAGYGMSSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CCCCC1 ZINC000652756774 414781621 /nfs/dbraw/zinc/78/16/21/414781621.db2.gz SOOBJRXDJAFJBT-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC000652756774 414781628 /nfs/dbraw/zinc/78/16/28/414781628.db2.gz SOOBJRXDJAFJBT-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC000652756774 414781632 /nfs/dbraw/zinc/78/16/32/414781632.db2.gz SOOBJRXDJAFJBT-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1O ZINC000404417654 414783566 /nfs/dbraw/zinc/78/35/66/414783566.db2.gz HDGCRWGUBJQGGR-TZMCWYRMSA-N 2 1 278.396 2.350 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404440970 414783794 /nfs/dbraw/zinc/78/37/94/414783794.db2.gz UQSAWTGKKUUHQX-PWSUYJOCSA-N 2 1 253.415 2.401 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000404434222 414784661 /nfs/dbraw/zinc/78/46/61/414784661.db2.gz QIWQHUZBYHVWMT-BLLLJJGKSA-N 2 1 277.412 2.348 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cccc(OC)c2OC)CC[C@@H]1[NH3+] ZINC000122383297 414788117 /nfs/dbraw/zinc/78/81/17/414788117.db2.gz QEVAYRLWBYDWEE-OCCSQVGLSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc(OC)c2OC)CC[C@@H]1[NH3+] ZINC000122383297 414788124 /nfs/dbraw/zinc/78/81/24/414788124.db2.gz QEVAYRLWBYDWEE-OCCSQVGLSA-N 2 1 278.396 2.263 20 0 CEADMP Cc1cccc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c1C ZINC000051889414 414747636 /nfs/dbraw/zinc/74/76/36/414747636.db2.gz WGPXELOATSFKOK-INIZCTEOSA-N 2 1 273.424 2.035 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401000088 414748024 /nfs/dbraw/zinc/74/80/24/414748024.db2.gz AZQBSFSMPMRAEH-WCXIOVBPSA-N 3 1 279.472 2.229 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)CC[C@@H]1[NH3+] ZINC000122794823 414791851 /nfs/dbraw/zinc/79/18/51/414791851.db2.gz LZGPTWFAGSFVNT-RDJZCZTQSA-N 2 1 284.407 2.432 20 0 CEADMP Cc1ccc(-c2cc(C[N@H+](C)CCC[NH3+])on2)cc1 ZINC000123330913 414793584 /nfs/dbraw/zinc/79/35/84/414793584.db2.gz PWXGKPYUWKFTES-UHFFFAOYSA-N 2 1 259.353 2.431 20 0 CEADMP Cc1ccc(-c2cc(C[N@@H+](C)CCC[NH3+])on2)cc1 ZINC000123330913 414793592 /nfs/dbraw/zinc/79/35/92/414793592.db2.gz PWXGKPYUWKFTES-UHFFFAOYSA-N 2 1 259.353 2.431 20 0 CEADMP CCO[C@@H]1C[N@H+](Cc2cccc(OC(C)C)c2)C[C@H]1C[NH3+] ZINC000405592117 414795348 /nfs/dbraw/zinc/79/53/48/414795348.db2.gz NCRUTTCGBGSXDK-NVXWUHKLSA-N 2 1 292.423 2.269 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cccc(OC(C)C)c2)C[C@H]1C[NH3+] ZINC000405592117 414795352 /nfs/dbraw/zinc/79/53/52/414795352.db2.gz NCRUTTCGBGSXDK-NVXWUHKLSA-N 2 1 292.423 2.269 20 0 CEADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000405833824 414797440 /nfs/dbraw/zinc/79/74/40/414797440.db2.gz BVNYDLAKOVGPCA-KBUPBQIOSA-N 2 1 254.418 2.108 20 0 CEADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000660419054 414811744 /nfs/dbraw/zinc/81/17/44/414811744.db2.gz GLKWYMDQVBRPFN-ZIAGYGMSSA-N 2 1 262.401 2.358 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNCc1cnn2c1CCC2 ZINC000657293520 414836138 /nfs/dbraw/zinc/83/61/38/414836138.db2.gz PHXSKPMFRCKMDT-CQSZACIVSA-N 2 1 276.428 2.183 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnn2c1CCC2 ZINC000657293520 414836142 /nfs/dbraw/zinc/83/61/42/414836142.db2.gz PHXSKPMFRCKMDT-CQSZACIVSA-N 2 1 276.428 2.183 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnn2c1CCC2 ZINC000657293520 414836146 /nfs/dbraw/zinc/83/61/46/414836146.db2.gz PHXSKPMFRCKMDT-CQSZACIVSA-N 2 1 276.428 2.183 20 0 CEADMP Cc1cccc(OCC[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000312865500 414866914 /nfs/dbraw/zinc/86/69/14/414866914.db2.gz SNPOPZVAPKKNRN-RDJZCZTQSA-N 2 1 274.408 2.435 20 0 CEADMP c1cc(C[NH2+]CCC[NH+]2CCCCC2)n(CC2CC2)n1 ZINC000657295337 414839508 /nfs/dbraw/zinc/83/95/08/414839508.db2.gz AXGIKDREKNCZTH-UHFFFAOYSA-N 2 1 276.428 2.259 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000657296456 414840229 /nfs/dbraw/zinc/84/02/29/414840229.db2.gz VAZPTZCWFRIEKD-UHFFFAOYSA-N 2 1 276.428 2.263 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1cc2ccncc2s1 ZINC000657308277 414849188 /nfs/dbraw/zinc/84/91/88/414849188.db2.gz OCFBIBSZYWBXLO-UHFFFAOYSA-N 2 1 293.436 2.354 20 0 CEADMP Cn1ncc(C2CC2)c1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657312972 414855616 /nfs/dbraw/zinc/85/56/16/414855616.db2.gz DXYVOCCWGZOFGE-ZIAGYGMSSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657312972 414855623 /nfs/dbraw/zinc/85/56/23/414855623.db2.gz DXYVOCCWGZOFGE-ZIAGYGMSSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657312972 414855628 /nfs/dbraw/zinc/85/56/28/414855628.db2.gz DXYVOCCWGZOFGE-ZIAGYGMSSA-N 2 1 274.412 2.014 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(C)(C)C)CC1 ZINC000311453176 414859857 /nfs/dbraw/zinc/85/98/57/414859857.db2.gz JUYZXHTXSIKMBO-GJZGRUSLSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000311453176 414859860 /nfs/dbraw/zinc/85/98/60/414859860.db2.gz JUYZXHTXSIKMBO-GJZGRUSLSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000311453176 414859866 /nfs/dbraw/zinc/85/98/66/414859866.db2.gz JUYZXHTXSIKMBO-GJZGRUSLSA-N 2 1 270.461 2.447 20 0 CEADMP C[C@H](C(=O)N(C)CC[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000652989180 414860811 /nfs/dbraw/zinc/86/08/11/414860811.db2.gz ZZEMVOZNOFCABX-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657325194 414861322 /nfs/dbraw/zinc/86/13/22/414861322.db2.gz LDEMCTVIGOYDCS-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657325194 414861328 /nfs/dbraw/zinc/86/13/28/414861328.db2.gz LDEMCTVIGOYDCS-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653113566 414910311 /nfs/dbraw/zinc/91/03/11/414910311.db2.gz GXRJAGMOHNQEEK-HRCADAONSA-N 2 1 295.471 2.275 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)CC1CCCC1)C2 ZINC000660661760 414923135 /nfs/dbraw/zinc/92/31/35/414923135.db2.gz GDRYIBRACVAKPB-SJORKVTESA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)CC1CCCC1)C2 ZINC000660661760 414923138 /nfs/dbraw/zinc/92/31/38/414923138.db2.gz GDRYIBRACVAKPB-SJORKVTESA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)CC1CCCC1)C2 ZINC000660661760 414923143 /nfs/dbraw/zinc/92/31/43/414923143.db2.gz GDRYIBRACVAKPB-SJORKVTESA-N 2 1 280.456 2.345 20 0 CEADMP CO[C@@H](CC(C)C)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662405 414923554 /nfs/dbraw/zinc/92/35/54/414923554.db2.gz JUKWOQYBTLJONT-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@@H](CC(C)C)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662405 414923557 /nfs/dbraw/zinc/92/35/57/414923557.db2.gz JUKWOQYBTLJONT-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@@H](CC(C)C)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662405 414923561 /nfs/dbraw/zinc/92/35/61/414923561.db2.gz JUKWOQYBTLJONT-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)C[N@H+]1CCO[C@@H](CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000663347182 414923899 /nfs/dbraw/zinc/92/38/99/414923899.db2.gz ULQSSADQLDNUQS-ZDUSSCGKSA-N 2 1 288.395 2.332 20 0 CEADMP c1cncc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347898 414925404 /nfs/dbraw/zinc/92/54/04/414925404.db2.gz ZKLSYQCYBVMBCB-MRXNPFEDSA-N 2 1 259.397 2.293 20 0 CEADMP c1cncc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347898 414925408 /nfs/dbraw/zinc/92/54/08/414925408.db2.gz ZKLSYQCYBVMBCB-MRXNPFEDSA-N 2 1 259.397 2.293 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)CC(F)(F)F)C1CC1 ZINC000663378409 414935520 /nfs/dbraw/zinc/93/55/20/414935520.db2.gz FZWNKVFBWJDPHI-NSHDSACASA-N 2 1 282.350 2.010 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)CC(F)(F)F)C1CC1 ZINC000663378409 414935523 /nfs/dbraw/zinc/93/55/23/414935523.db2.gz FZWNKVFBWJDPHI-NSHDSACASA-N 2 1 282.350 2.010 20 0 CEADMP CCCn1nccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000657347060 414873403 /nfs/dbraw/zinc/87/34/03/414873403.db2.gz MYZFTQNOVWDSNU-CYBMUJFWSA-N 2 1 275.400 2.224 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CO1 ZINC000657347678 414875608 /nfs/dbraw/zinc/87/56/08/414875608.db2.gz DWFNKKPCSSJBPC-QLFBSQMISA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)CO1 ZINC000657384857 414901440 /nfs/dbraw/zinc/90/14/40/414901440.db2.gz RJFHBKZMIBSAKK-JKSUJKDBSA-N 2 1 284.444 2.033 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663497288 414971050 /nfs/dbraw/zinc/97/10/50/414971050.db2.gz CTMLBAXQINPNDL-JWFMREHNSA-N 2 1 285.435 2.164 20 0 CEADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000663499551 414972217 /nfs/dbraw/zinc/97/22/17/414972217.db2.gz CQRUNPSWEQXJFP-IAGOWNOFSA-N 2 1 273.424 2.197 20 0 CEADMP CC[NH+](CC)CCCN1CCC[N@@H+](CC)C[C@@H]1C ZINC000660788426 414976028 /nfs/dbraw/zinc/97/60/28/414976028.db2.gz ZYWFTEFARGIMLI-HNNXBMFYSA-N 2 1 255.450 2.134 20 0 CEADMP C[C@H]([C@H](C)Nc1[nH+]ccc2[nH]ccc21)[NH+]1CCOCC1 ZINC000663547317 414985713 /nfs/dbraw/zinc/98/57/13/414985713.db2.gz RPVMESXFZORMDA-NWDGAFQWSA-N 2 1 274.368 2.084 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@@H](C)C[NH2+]C)C1CCCCC1 ZINC000653200459 414944624 /nfs/dbraw/zinc/94/46/24/414944624.db2.gz FNVLKCJOGABIDU-AWEZNQCLSA-N 2 1 283.460 2.003 20 0 CEADMP CC[N@@H+](CCCNC(=O)C1CC[NH2+]CC1)C1CCCCC1 ZINC000653200999 414945522 /nfs/dbraw/zinc/94/55/22/414945522.db2.gz WUOBROPBQYLTCN-UHFFFAOYSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@H]([NH2+]CCOCCF)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663462516 414961338 /nfs/dbraw/zinc/96/13/38/414961338.db2.gz PCIMMZFEHIADKV-DOTOQJQBSA-N 2 1 294.414 2.473 20 0 CEADMP C([NH2+][C@H]1COC2(CCC2)C1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466107 414963369 /nfs/dbraw/zinc/96/33/69/414963369.db2.gz OCAXPXQRQSWGFR-JKSUJKDBSA-N 2 1 278.440 2.410 20 0 CEADMP CC1(C)[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1(F)F ZINC000657738963 415066424 /nfs/dbraw/zinc/06/64/24/415066424.db2.gz OXPSSNZWUURPCT-UTUOFQBUSA-N 2 1 258.356 2.494 20 0 CEADMP CCC[N@H+]1CC[C@H](NCc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000657741857 415067166 /nfs/dbraw/zinc/06/71/66/415067166.db2.gz JQYUZQDUCGGECT-INIZCTEOSA-N 2 1 299.422 2.150 20 0 CEADMP CCCN1CC[C@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000657741857 415067169 /nfs/dbraw/zinc/06/71/69/415067169.db2.gz JQYUZQDUCGGECT-INIZCTEOSA-N 2 1 299.422 2.150 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)O1 ZINC000657667685 415043172 /nfs/dbraw/zinc/04/31/72/415043172.db2.gz BLZZYEYZBAPBGP-APIJFGDWSA-N 2 1 252.402 2.160 20 0 CEADMP FCC1(CF)CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000657837105 415100456 /nfs/dbraw/zinc/10/04/56/415100456.db2.gz DLMSIMNKTGJFNO-CHWSQXEVSA-N 2 1 258.356 2.291 20 0 CEADMP FCC1(CF)CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000657837105 415100459 /nfs/dbraw/zinc/10/04/59/415100459.db2.gz DLMSIMNKTGJFNO-CHWSQXEVSA-N 2 1 258.356 2.291 20 0 CEADMP C1C[C@H]2C[C@H]([NH2+][C@@H]3CCCSCC3)CC[N@H+]2C1 ZINC000657839510 415101258 /nfs/dbraw/zinc/10/12/58/415101258.db2.gz ARKJQUVHJCKKFH-MCIONIFRSA-N 2 1 254.443 2.489 20 0 CEADMP CCOC1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000657835698 415101446 /nfs/dbraw/zinc/10/14/46/415101446.db2.gz QOKPGIWGLSSKIZ-HLIUYOAVSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CC2(CCCC2)O1 ZINC000653777155 415103856 /nfs/dbraw/zinc/10/38/56/415103856.db2.gz WONVLBSECDZPHI-CQSZACIVSA-N 2 1 277.412 2.386 20 0 CEADMP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC2(CCCC2)O1 ZINC000653777155 415103858 /nfs/dbraw/zinc/10/38/58/415103858.db2.gz WONVLBSECDZPHI-CQSZACIVSA-N 2 1 277.412 2.386 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCC23CC3)CCCO1 ZINC000657993168 415146711 /nfs/dbraw/zinc/14/67/11/415146711.db2.gz XIZJWXYSFKZEFW-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCC23CC3)CCCO1 ZINC000657993168 415146719 /nfs/dbraw/zinc/14/67/19/415146719.db2.gz XIZJWXYSFKZEFW-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCSCC2)CCCO1 ZINC000657992150 415146916 /nfs/dbraw/zinc/14/69/16/415146916.db2.gz CLEVIAVBPNJAKG-CABCVRRESA-N 2 1 286.485 2.363 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000658062945 415182546 /nfs/dbraw/zinc/18/25/46/415182546.db2.gz TYIAGTPTJSOLTQ-HNNXBMFYSA-N 2 1 265.445 2.076 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cn1 ZINC000044495145 175182606 /nfs/dbraw/zinc/18/26/06/175182606.db2.gz VYGANJDCIRBWFN-ZDUSSCGKSA-N 2 1 250.390 2.040 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000658091936 415205471 /nfs/dbraw/zinc/20/54/71/415205471.db2.gz OAIJCJAKIMWBCK-INIZCTEOSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1nc2ccccc2n1C ZINC000664244213 415237809 /nfs/dbraw/zinc/23/78/09/415237809.db2.gz QUZGNGAIZBLOCY-OLZOCXBDSA-N 2 1 288.395 2.094 20 0 CEADMP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1nc2ccccc2n1C ZINC000664244213 415237816 /nfs/dbraw/zinc/23/78/16/415237816.db2.gz QUZGNGAIZBLOCY-OLZOCXBDSA-N 2 1 288.395 2.094 20 0 CEADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000658229735 415265232 /nfs/dbraw/zinc/26/52/32/415265232.db2.gz TZGRFZHEXFAULL-RKVPGOIHSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000658229735 415265241 /nfs/dbraw/zinc/26/52/41/415265241.db2.gz TZGRFZHEXFAULL-RKVPGOIHSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229735 415265249 /nfs/dbraw/zinc/26/52/49/415265249.db2.gz TZGRFZHEXFAULL-RKVPGOIHSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229735 415265253 /nfs/dbraw/zinc/26/52/53/415265253.db2.gz TZGRFZHEXFAULL-RKVPGOIHSA-N 2 1 291.483 2.466 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655695147 415393986 /nfs/dbraw/zinc/39/39/86/415393986.db2.gz RZZDRHLHFCECNE-DGCLKSJQSA-N 2 1 253.415 2.455 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655711368 415406573 /nfs/dbraw/zinc/40/65/73/415406573.db2.gz IOKYUEFLVJCTRS-USXIJHARSA-N 2 1 298.471 2.017 20 0 CEADMP COC1CCC(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655721605 415411160 /nfs/dbraw/zinc/41/11/60/415411160.db2.gz QLYBDKOGAQJOOD-ARWYELJZSA-N 2 1 296.455 2.035 20 0 CEADMP FC(F)(F)CCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655719855 415411589 /nfs/dbraw/zinc/41/15/89/415411589.db2.gz YWHDADOYPMVSHL-GFCCVEGCSA-N 2 1 280.334 2.172 20 0 CEADMP Cc1[nH+]ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1Cl ZINC000664600665 415419669 /nfs/dbraw/zinc/41/96/69/415419669.db2.gz WKLUVPQCKDMWCM-CYBMUJFWSA-N 2 1 295.814 2.079 20 0 CEADMP C[C@@H](Cc1ccccn1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000655831690 415503952 /nfs/dbraw/zinc/50/39/52/415503952.db2.gz ITBBMCHINRXDJM-ZDUSSCGKSA-N 2 1 259.397 2.229 20 0 CEADMP CC(C)OCCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655752015 415434795 /nfs/dbraw/zinc/43/47/95/415434795.db2.gz VAFIRISADKROFA-KRWDZBQOSA-N 2 1 298.471 2.425 20 0 CEADMP COC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCCC1 ZINC000655757903 415437606 /nfs/dbraw/zinc/43/76/06/415437606.db2.gz ZGNYSILQFAYFLM-INIZCTEOSA-N 2 1 296.455 2.179 20 0 CEADMP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655764148 415445909 /nfs/dbraw/zinc/44/59/09/415445909.db2.gz WLKGFDNJVFGGKT-ULQDDVLXSA-N 2 1 296.455 2.177 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000661759482 415448102 /nfs/dbraw/zinc/44/81/02/415448102.db2.gz WGTHWQDRCVULCD-SJORKVTESA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000661759482 415448107 /nfs/dbraw/zinc/44/81/07/415448107.db2.gz WGTHWQDRCVULCD-SJORKVTESA-N 2 1 276.424 2.258 20 0 CEADMP CCOCC(C)(C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655768363 415449319 /nfs/dbraw/zinc/44/93/19/415449319.db2.gz WZTOKSHBEOMNIY-MRXNPFEDSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000655773286 415450916 /nfs/dbraw/zinc/45/09/16/415450916.db2.gz UOUNFPBNEOFLMB-WFASDCNBSA-N 2 1 252.402 2.018 20 0 CEADMP CC(F)(F)CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655771224 415451657 /nfs/dbraw/zinc/45/16/57/415451657.db2.gz DDAJUFHPEMEVCR-ZDUSSCGKSA-N 2 1 276.371 2.265 20 0 CEADMP COC1(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000655770890 415452420 /nfs/dbraw/zinc/45/24/20/415452420.db2.gz SXNZBDSZUUMYPJ-MRXNPFEDSA-N 2 1 296.455 2.179 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H](O)C(C)C ZINC000655776871 415459877 /nfs/dbraw/zinc/45/98/77/415459877.db2.gz PTLQMKKLLSEAND-IXDOHACOSA-N 2 1 298.471 2.015 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655834562 415507569 /nfs/dbraw/zinc/50/75/69/415507569.db2.gz DQIUZCPJYRBNDX-VNQPRFMTSA-N 2 1 259.397 2.229 20 0 CEADMP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655848892 415515851 /nfs/dbraw/zinc/51/58/51/415515851.db2.gz LBJNMBUAUOOTOA-MSOLQXFVSA-N 2 1 291.483 2.467 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCc2noc3ccccc32)C1 ZINC000655939908 415560654 /nfs/dbraw/zinc/56/06/54/415560654.db2.gz VYSRLJDHTRNCNG-CYBMUJFWSA-N 2 1 273.380 2.431 20 0 CEADMP CN(C)C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000656199117 415633164 /nfs/dbraw/zinc/63/31/64/415633164.db2.gz OODOPELTAWEUDG-JYJNAYRXSA-N 2 1 279.403 2.288 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ccon2)CC1 ZINC000662048488 415598101 /nfs/dbraw/zinc/59/81/01/415598101.db2.gz XLBDGNJOSPTUFY-UHFFFAOYSA-N 2 1 274.368 2.449 20 0 CEADMP C[C@@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000662155499 415660421 /nfs/dbraw/zinc/66/04/21/415660421.db2.gz JPZUOWZLNXQZTQ-MAUKXSAKSA-N 2 1 288.435 2.321 20 0 CEADMP C[NH2+]C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000665296841 415682490 /nfs/dbraw/zinc/68/24/90/415682490.db2.gz YREUZTCPBXHCBE-HLLBOEOZSA-N 2 1 275.440 2.095 20 0 CEADMP C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000665299095 415684609 /nfs/dbraw/zinc/68/46/09/415684609.db2.gz GFVKEORWVPBLDU-BHYGNILZSA-N 3 1 279.472 2.229 20 0 CEADMP CCn1nccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000665299809 415688083 /nfs/dbraw/zinc/68/80/83/415688083.db2.gz TYQRDQNIPVKEGR-HRCADAONSA-N 2 1 276.428 2.303 20 0 CEADMP CC(C)c1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000071148812 176044548 /nfs/dbraw/zinc/04/45/48/176044548.db2.gz JBYRWNSTIWEXEQ-UHFFFAOYSA-N 2 1 275.440 2.147 20 0 CEADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251709 415651896 /nfs/dbraw/zinc/65/18/96/415651896.db2.gz XAYJFXNRDQPSNB-PIKADFDJSA-N 2 1 299.462 2.204 20 0 CEADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662257506 415726743 /nfs/dbraw/zinc/72/67/43/415726743.db2.gz PGFMCBXHUGZPTO-GJZGRUSLSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@]1(c2ccccc2)CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258745 415729779 /nfs/dbraw/zinc/72/97/79/415729779.db2.gz ZOYPLDXIGULLGJ-IAGOWNOFSA-N 2 1 286.419 2.171 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c2c(c1)C[NH2+]CC2 ZINC000662265122 415730959 /nfs/dbraw/zinc/73/09/59/415730959.db2.gz NAIZLFMNLBBOHW-PKOBYXMFSA-N 3 1 299.462 2.296 20 0 CEADMP c1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c2c(c1)C[NH2+]CC2 ZINC000662265122 415730966 /nfs/dbraw/zinc/73/09/66/415730966.db2.gz NAIZLFMNLBBOHW-PKOBYXMFSA-N 2 1 299.462 2.296 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1CCC1 ZINC000662266423 415732403 /nfs/dbraw/zinc/73/24/03/415732403.db2.gz YLENFBHEENQTHG-BZUAXINKSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000656476714 415733399 /nfs/dbraw/zinc/73/33/99/415733399.db2.gz RHYUYJROILMEHG-WMZOPIPTSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000656476714 415733403 /nfs/dbraw/zinc/73/34/03/415733403.db2.gz RHYUYJROILMEHG-WMZOPIPTSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000656476714 415733406 /nfs/dbraw/zinc/73/34/06/415733406.db2.gz RHYUYJROILMEHG-WMZOPIPTSA-N 2 1 287.451 2.287 20 0 CEADMP CC(C)C[NH+]1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659809759 415698899 /nfs/dbraw/zinc/69/88/99/415698899.db2.gz IOAHUVDPFHOGAZ-CALCHBBNSA-N 2 1 281.488 2.238 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)C1CCCC1 ZINC000662244638 415708102 /nfs/dbraw/zinc/70/81/02/415708102.db2.gz JECQWCXPMFVSTQ-VHDGCEQUSA-N 2 1 254.418 2.251 20 0 CEADMP Fc1ccccc1C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662248924 415711619 /nfs/dbraw/zinc/71/16/19/415711619.db2.gz LXMCHXGNLMGKCC-OAHLLOKOSA-N 2 1 290.382 2.311 20 0 CEADMP CC(C)[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662253061 415715634 /nfs/dbraw/zinc/71/56/34/415715634.db2.gz UARMEBNJWGGWGN-CQSZACIVSA-N 2 1 252.402 2.160 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CCC2)CC12CCOCC2 ZINC000662274911 415741937 /nfs/dbraw/zinc/74/19/37/415741937.db2.gz YLIQJKBIMQEJMT-HNNXBMFYSA-N 2 1 266.429 2.254 20 0 CEADMP CCc1nocc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662274527 415742691 /nfs/dbraw/zinc/74/26/91/415742691.db2.gz VEDKGTMILGIHSC-OLZOCXBDSA-N 2 1 263.385 2.059 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000662278193 415746221 /nfs/dbraw/zinc/74/62/21/415746221.db2.gz XNHCDYNCFGBSKI-DLBZAZTESA-N 2 1 274.408 2.450 20 0 CEADMP COC[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC000659868356 415746268 /nfs/dbraw/zinc/74/62/68/415746268.db2.gz ZWFSJAWBGDZFKV-DLBZAZTESA-N 2 1 298.471 2.092 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662271993 415737503 /nfs/dbraw/zinc/73/75/03/415737503.db2.gz AYHDMIBBSZLCOS-CVEARBPZSA-N 2 1 290.455 2.064 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662271993 415737510 /nfs/dbraw/zinc/73/75/10/415737510.db2.gz AYHDMIBBSZLCOS-CVEARBPZSA-N 3 1 290.455 2.064 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662271993 415737515 /nfs/dbraw/zinc/73/75/15/415737515.db2.gz AYHDMIBBSZLCOS-CVEARBPZSA-N 3 1 290.455 2.064 20 0 CEADMP CC[C@H](CC(F)F)C[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000659896282 415766811 /nfs/dbraw/zinc/76/68/11/415766811.db2.gz KTTCSDQYVXFBGP-GFCCVEGCSA-N 2 1 278.387 2.056 20 0 CEADMP C[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128490215 287317563 /nfs/dbraw/zinc/31/75/63/287317563.db2.gz CEAKNGYYQUHTIB-HZPDHXFCSA-N 2 1 267.461 2.182 20 0 CEADMP Cn1c[nH+]cc1CCCN1c2ccccc2CC[C@H]1C[NH3+] ZINC000662306452 415768724 /nfs/dbraw/zinc/76/87/24/415768724.db2.gz ZYKGWOKWXVGWBI-HNNXBMFYSA-N 2 1 284.407 2.133 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCOC(C)(C)C)CCO1 ZINC000662319110 415777900 /nfs/dbraw/zinc/77/79/00/415777900.db2.gz DNJZVEWXIAXJBP-OAHLLOKOSA-N 2 1 286.460 2.234 20 0 CEADMP CC1CCN(C(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC000662313089 415772336 /nfs/dbraw/zinc/77/23/36/415772336.db2.gz IRZSDVCRNBKMNK-HZPDHXFCSA-N 2 1 295.471 2.084 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662317975 415777321 /nfs/dbraw/zinc/77/73/21/415777321.db2.gz VFARDJXVCNFUAG-INIZCTEOSA-N 2 1 262.397 2.229 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)C1CCCC1 ZINC000662284119 415751876 /nfs/dbraw/zinc/75/18/76/415751876.db2.gz TTWBLLAIEXGBQD-LUYZLQTOSA-N 2 1 268.445 2.497 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000659876709 415757977 /nfs/dbraw/zinc/75/79/77/415757977.db2.gz LYCIDZNCPXNZRZ-CQSZACIVSA-N 2 1 290.398 2.463 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(CC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000659989882 415831191 /nfs/dbraw/zinc/83/11/91/415831191.db2.gz VHMKAGVMLLAWBS-IXDOHACOSA-N 2 1 281.488 2.238 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000659989882 415831193 /nfs/dbraw/zinc/83/11/93/415831193.db2.gz VHMKAGVMLLAWBS-IXDOHACOSA-N 2 1 281.488 2.238 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000659989882 415831196 /nfs/dbraw/zinc/83/11/96/415831196.db2.gz VHMKAGVMLLAWBS-IXDOHACOSA-N 2 1 281.488 2.238 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000660009851 415849461 /nfs/dbraw/zinc/84/94/61/415849461.db2.gz BVUCKINGKKRQSX-XWTMOSNGSA-N 2 1 293.499 2.380 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000660009851 415849465 /nfs/dbraw/zinc/84/94/65/415849465.db2.gz BVUCKINGKKRQSX-XWTMOSNGSA-N 2 1 293.499 2.380 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000660009851 415849470 /nfs/dbraw/zinc/84/94/70/415849470.db2.gz BVUCKINGKKRQSX-XWTMOSNGSA-N 2 1 293.499 2.380 20 0 CEADMP C[C@@H](c1ccncc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321414 415779474 /nfs/dbraw/zinc/77/94/74/415779474.db2.gz HYSVTFWIXSKDNM-GOEBONIOSA-N 2 1 277.412 2.185 20 0 CEADMP C[C@@H](c1ccncc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321414 415779482 /nfs/dbraw/zinc/77/94/82/415779482.db2.gz HYSVTFWIXSKDNM-GOEBONIOSA-N 2 1 277.412 2.185 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCC2CCOCC2)CCO1 ZINC000662322804 415782874 /nfs/dbraw/zinc/78/28/74/415782874.db2.gz IQXDVJVMFNFQNI-QGZVFWFLSA-N 2 1 298.471 2.236 20 0 CEADMP C[C@]1(C(F)F)C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000662335273 415786576 /nfs/dbraw/zinc/78/65/76/415786576.db2.gz JJIPRBZMKFHOLT-CQSZACIVSA-N 2 1 276.371 2.122 20 0 CEADMP FC1(F)C[C@@H]1OCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659943360 415798750 /nfs/dbraw/zinc/79/87/50/415798750.db2.gz BQLSYVNJDLKMKO-KBPBESRZSA-N 2 1 288.382 2.361 20 0 CEADMP FC1(F)C[C@@H]1OCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659943360 415798753 /nfs/dbraw/zinc/79/87/53/415798753.db2.gz BQLSYVNJDLKMKO-KBPBESRZSA-N 2 1 288.382 2.361 20 0 CEADMP CC[C@@H]([NH2+]C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000662398562 415824566 /nfs/dbraw/zinc/82/45/66/415824566.db2.gz WTMQMHKWHRVBEE-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CC[C@@](C)(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1(C)C ZINC000656707077 415826511 /nfs/dbraw/zinc/82/65/11/415826511.db2.gz UCTWLDJVKGWDRA-LXZKKBNFSA-N 2 1 282.472 2.494 20 0 CEADMP C[C@H]1CC[C@@](C)(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1(C)C ZINC000656707077 415826513 /nfs/dbraw/zinc/82/65/13/415826513.db2.gz UCTWLDJVKGWDRA-LXZKKBNFSA-N 2 1 282.472 2.494 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC1CCC1 ZINC000660117107 415886791 /nfs/dbraw/zinc/88/67/91/415886791.db2.gz MBOYSMCOUUMVSC-PMPSAXMXSA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662681710 415929660 /nfs/dbraw/zinc/92/96/60/415929660.db2.gz BXVAOGNOFFYPPW-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP c1nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656783961 415859415 /nfs/dbraw/zinc/85/94/15/415859415.db2.gz BOEKAXPBDAYDIP-ZDUSSCGKSA-N 2 1 265.426 2.355 20 0 CEADMP CC[C@@H]([NH2+]C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000662486990 415860886 /nfs/dbraw/zinc/86/08/86/415860886.db2.gz NVDXLMAIXYLUKG-GDBMZVCRSA-N 2 1 291.439 2.011 20 0 CEADMP CCC1(CC)CCC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000656791812 415863402 /nfs/dbraw/zinc/86/34/02/415863402.db2.gz KNBLJVQIHKHDQB-HNNXBMFYSA-N 2 1 295.471 2.086 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CCCC1 ZINC000656789615 415863678 /nfs/dbraw/zinc/86/36/78/415863678.db2.gz SVGPIYGGDWJXDQ-UHFFFAOYSA-N 2 1 276.409 2.499 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C[NH3+])CC(C)C)C[C@@H]1C ZINC000662743288 415951481 /nfs/dbraw/zinc/95/14/81/415951481.db2.gz NHQXSCQIMIFEPG-JYJNAYRXSA-N 2 1 297.487 2.329 20 0 CEADMP CC[C@H]([NH2+]C)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000662696193 415932756 /nfs/dbraw/zinc/93/27/56/415932756.db2.gz WCRRGCZDQLJUSF-INIZCTEOSA-N 2 1 291.439 2.141 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000359944476 287347842 /nfs/dbraw/zinc/34/78/42/287347842.db2.gz UUEBWGPICQEATM-BRWVUGGUSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000359944476 287347843 /nfs/dbraw/zinc/34/78/43/287347843.db2.gz UUEBWGPICQEATM-BRWVUGGUSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000359944476 287347845 /nfs/dbraw/zinc/34/78/45/287347845.db2.gz UUEBWGPICQEATM-BRWVUGGUSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCN(C)C[C@H]2C)C1 ZINC000359944476 287347846 /nfs/dbraw/zinc/34/78/46/287347846.db2.gz UUEBWGPICQEATM-BRWVUGGUSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN(C)C[C@H]2C)C1 ZINC000359944476 287347847 /nfs/dbraw/zinc/34/78/47/287347847.db2.gz UUEBWGPICQEATM-BRWVUGGUSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000567246020 299046236 /nfs/dbraw/zinc/04/62/36/299046236.db2.gz CYYCYILALNLBMJ-OFQRWUPVSA-N 2 1 270.461 2.494 20 0 CEADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cc[nH+]cc1Br ZINC000567338406 299054334 /nfs/dbraw/zinc/05/43/34/299054334.db2.gz JYLVJLAXVIWFDU-HMKSTLMESA-N 2 1 296.212 2.194 20 0 CEADMP c1cc(C[N@@H+]2CC[C@H](N3CCCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000317421897 419481006 /nfs/dbraw/zinc/48/10/06/419481006.db2.gz QLGCGPGZNGBUBP-SFHVURJKSA-N 2 1 299.462 2.393 20 0 CEADMP c1cc(C[N@H+]2CC[C@H](N3CCCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000317421897 419481008 /nfs/dbraw/zinc/48/10/08/419481008.db2.gz QLGCGPGZNGBUBP-SFHVURJKSA-N 2 1 299.462 2.393 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@H]2CCCCO2)CC1)C1CC1 ZINC000130223793 419428038 /nfs/dbraw/zinc/42/80/38/419428038.db2.gz VIMPFGTYKCZFHX-OAHLLOKOSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1ncc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C ZINC000667618563 419732393 /nfs/dbraw/zinc/73/23/93/419732393.db2.gz APMWKUSGGMHUNG-HNNXBMFYSA-N 2 1 298.434 2.435 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449107084 260220594 /nfs/dbraw/zinc/22/05/94/260220594.db2.gz OBRLRJJTMHSMFB-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1cnccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000521186598 260358085 /nfs/dbraw/zinc/35/80/85/260358085.db2.gz VQYIAIQUJRZXQL-YESZJQIVSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cnccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000521186598 260358086 /nfs/dbraw/zinc/35/80/86/260358086.db2.gz VQYIAIQUJRZXQL-YESZJQIVSA-N 2 1 289.423 2.074 20 0 CEADMP CC(C)[N@H+](C)CCCNCc1ccc2nc[nH]c2c1 ZINC000518271778 260365542 /nfs/dbraw/zinc/36/55/42/260365542.db2.gz BPMNMKIHXFLRFT-UHFFFAOYSA-N 2 1 260.385 2.383 20 0 CEADMP CC(C)[N@@H+](C)CCCNCc1ccc2nc[nH]c2c1 ZINC000518271778 260365543 /nfs/dbraw/zinc/36/55/43/260365543.db2.gz BPMNMKIHXFLRFT-UHFFFAOYSA-N 2 1 260.385 2.383 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000518271778 260365544 /nfs/dbraw/zinc/36/55/44/260365544.db2.gz BPMNMKIHXFLRFT-UHFFFAOYSA-N 2 1 260.385 2.383 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000518271778 260365545 /nfs/dbraw/zinc/36/55/45/260365545.db2.gz BPMNMKIHXFLRFT-UHFFFAOYSA-N 2 1 260.385 2.383 20 0 CEADMP CC(C)(CO)CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000393421903 270343072 /nfs/dbraw/zinc/34/30/72/270343072.db2.gz MMBOFIUVAWYYTL-UHFFFAOYSA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)OCCOC1CC[NH+]([C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000453361039 263249404 /nfs/dbraw/zinc/24/94/04/263249404.db2.gz NFEAINITOGDDIM-HOTGVXAUSA-N 2 1 298.471 2.375 20 0 CEADMP CC(C)OCCOC1CC[NH+]([C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000453361039 263249405 /nfs/dbraw/zinc/24/94/05/263249405.db2.gz NFEAINITOGDDIM-HOTGVXAUSA-N 2 1 298.471 2.375 20 0 CEADMP Cc1ccc(CCC[N@H+]2CCC[C@H](n3ccnn3)C2)cn1 ZINC000425346771 264019451 /nfs/dbraw/zinc/01/94/51/264019451.db2.gz GPQCTLLRWGLZGA-INIZCTEOSA-N 2 1 285.395 2.251 20 0 CEADMP CO[C@@H](C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)C1CC1 ZINC000425424305 264313360 /nfs/dbraw/zinc/31/33/60/264313360.db2.gz WSAQKPUQRDRCEQ-GJZGRUSLSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H](C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000425424305 264313362 /nfs/dbraw/zinc/31/33/62/264313362.db2.gz WSAQKPUQRDRCEQ-GJZGRUSLSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H](C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000425424305 264313365 /nfs/dbraw/zinc/31/33/65/264313365.db2.gz WSAQKPUQRDRCEQ-GJZGRUSLSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1ncsc1CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397355863 270353243 /nfs/dbraw/zinc/35/32/43/270353243.db2.gz FAPCCAWHINHMPR-LOWVWBTDSA-N 2 1 267.442 2.299 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000300413133 279355301 /nfs/dbraw/zinc/35/53/01/279355301.db2.gz YQJVUOGVHDUNJD-ILXRZTDVSA-N 3 1 255.450 2.035 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000300413133 279355303 /nfs/dbraw/zinc/35/53/03/279355303.db2.gz YQJVUOGVHDUNJD-ILXRZTDVSA-N 3 1 255.450 2.035 20 0 CEADMP CC(C)[NH+](C)CCC[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000300413133 279355306 /nfs/dbraw/zinc/35/53/06/279355306.db2.gz YQJVUOGVHDUNJD-ILXRZTDVSA-N 3 1 255.450 2.035 20 0 CEADMP CC(C)[NH+](C)CCC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000300413133 279355308 /nfs/dbraw/zinc/35/53/08/279355308.db2.gz YQJVUOGVHDUNJD-ILXRZTDVSA-N 3 1 255.450 2.035 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCCO2)[C@H](C)C1 ZINC000189688657 270263285 /nfs/dbraw/zinc/26/32/85/270263285.db2.gz ICQIRLQIYZYZIU-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CCCO2)[C@H](C)C1 ZINC000189688657 270263287 /nfs/dbraw/zinc/26/32/87/270263287.db2.gz ICQIRLQIYZYZIU-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2CCCO2)[C@H](C)C1 ZINC000189688657 270263289 /nfs/dbraw/zinc/26/32/89/270263289.db2.gz ICQIRLQIYZYZIU-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccc(C)cc2)[C@H](C)C1 ZINC000191584609 270274291 /nfs/dbraw/zinc/27/42/91/270274291.db2.gz XUAHGAJWRVBUTH-NJAFHUGGSA-N 2 1 290.451 2.218 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000235461633 270315558 /nfs/dbraw/zinc/31/55/58/270315558.db2.gz UBQBCKVZADXYES-NXEZZACHSA-N 2 1 271.202 2.317 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000236735557 270316553 /nfs/dbraw/zinc/31/65/53/270316553.db2.gz BATZADJJQMBZLJ-AWEZNQCLSA-N 2 1 294.443 2.228 20 0 CEADMP C[N@@H+](CCC1CCOCC1)CC[C@H]1CCC[NH2+]C1 ZINC000259042413 270329473 /nfs/dbraw/zinc/32/94/73/270329473.db2.gz PSBYIYZNYGCBMA-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000393683602 270343820 /nfs/dbraw/zinc/34/38/20/270343820.db2.gz SUIACBLMAHVERH-AGIUHOORSA-N 2 1 256.434 2.102 20 0 CEADMP CC(C)n1nccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397485269 270354301 /nfs/dbraw/zinc/35/43/01/270354301.db2.gz UJGALZPNEGPVHQ-MGPQQGTHSA-N 2 1 264.417 2.269 20 0 CEADMP CC(C)n1nccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397485269 270354303 /nfs/dbraw/zinc/35/43/03/270354303.db2.gz UJGALZPNEGPVHQ-MGPQQGTHSA-N 2 1 264.417 2.269 20 0 CEADMP CCCC[C@H](C[NH3+])NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000418447350 270375885 /nfs/dbraw/zinc/37/58/85/270375885.db2.gz PHTSLXPZDVGBKQ-CABCVRRESA-N 2 1 298.475 2.020 20 0 CEADMP COCCOc1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422740049 270748692 /nfs/dbraw/zinc/74/86/92/270748692.db2.gz MWNBCWFLNKAUSR-JKSUJKDBSA-N 2 1 292.423 2.461 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)C[NH+]1CCCCC1 ZINC000422825672 270786471 /nfs/dbraw/zinc/78/64/71/270786471.db2.gz AOIOCYZTEHTICC-KGLIPLIRSA-N 2 1 290.455 2.374 20 0 CEADMP FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423096767 270834541 /nfs/dbraw/zinc/83/45/41/270834541.db2.gz PTKHRQLCAHXMJO-REWJHTLYSA-N 2 1 288.382 2.169 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1c(F)cc(F)cc1F ZINC000423126530 270844540 /nfs/dbraw/zinc/84/45/40/270844540.db2.gz AVJXBQHOQOVXLQ-AMIZOPFISA-N 2 1 258.287 2.321 20 0 CEADMP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC[NH3+])cc1F ZINC000423183040 270863019 /nfs/dbraw/zinc/86/30/19/270863019.db2.gz KWTMZQCGCNIRQP-OCCSQVGLSA-N 2 1 266.360 2.409 20 0 CEADMP C[NH2+]CCCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423201419 270869514 /nfs/dbraw/zinc/86/95/14/270869514.db2.gz OPVHBIZIVVTGEM-DOTOQJQBSA-N 2 1 275.440 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423201419 270869516 /nfs/dbraw/zinc/86/95/16/270869516.db2.gz OPVHBIZIVVTGEM-DOTOQJQBSA-N 3 1 275.440 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423201419 270869519 /nfs/dbraw/zinc/86/95/19/270869519.db2.gz OPVHBIZIVVTGEM-DOTOQJQBSA-N 3 1 275.440 2.096 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc2c(c1)OCCO2 ZINC000423266929 270884856 /nfs/dbraw/zinc/88/48/56/270884856.db2.gz DZFDDHPFBXFZLM-UONOGXRCSA-N 2 1 278.396 2.482 20 0 CEADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423276341 270887150 /nfs/dbraw/zinc/88/71/50/270887150.db2.gz OKRPYLHQNWFKAH-CFVMTHIKSA-N 2 1 250.386 2.336 20 0 CEADMP C[C@H](NCC(F)(F)C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423348827 270902056 /nfs/dbraw/zinc/90/20/56/270902056.db2.gz VGQDDDWUZUGQCN-DZGCQCFKSA-N 2 1 297.393 2.081 20 0 CEADMP C[C@H](NCC(F)(F)C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423348827 270902058 /nfs/dbraw/zinc/90/20/58/270902058.db2.gz VGQDDDWUZUGQCN-DZGCQCFKSA-N 2 1 297.393 2.081 20 0 CEADMP C1CC1[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CCC1 ZINC000423504652 270919875 /nfs/dbraw/zinc/91/98/75/270919875.db2.gz GBQTVVHOZFYZAV-ABHNRTSZSA-N 2 1 291.483 2.371 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)(C)COC)[C@H](C)C1 ZINC000426417176 271220132 /nfs/dbraw/zinc/22/01/32/271220132.db2.gz PUBARHREQVUKSY-KGLIPLIRSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)(C)COC)[C@H](C)C1 ZINC000426417176 271220135 /nfs/dbraw/zinc/22/01/35/271220135.db2.gz PUBARHREQVUKSY-KGLIPLIRSA-N 2 1 256.434 2.321 20 0 CEADMP CCc1cccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428035277 271240959 /nfs/dbraw/zinc/24/09/59/271240959.db2.gz UYXPLGDSDPRJEJ-NVXWUHKLSA-N 2 1 274.408 2.312 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428035277 271240963 /nfs/dbraw/zinc/24/09/63/271240963.db2.gz UYXPLGDSDPRJEJ-NVXWUHKLSA-N 2 1 274.408 2.312 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000428430420 271264487 /nfs/dbraw/zinc/26/44/87/271264487.db2.gz HXKKAPWLSGXWJU-UHFFFAOYSA-N 2 1 297.487 2.440 20 0 CEADMP CC1=C[C@H](C)CN(CC(O)C[N@@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430281366 271370386 /nfs/dbraw/zinc/37/03/86/271370386.db2.gz CKTSJXHJYCPXQU-ZFWWWQNUSA-N 2 1 278.440 2.143 20 0 CEADMP CC1=C[C@H](C)C[NH+](CC(O)C[N@@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430281366 271370388 /nfs/dbraw/zinc/37/03/88/271370388.db2.gz CKTSJXHJYCPXQU-ZFWWWQNUSA-N 2 1 278.440 2.143 20 0 CEADMP CC1=C[C@H](C)C[NH+](CC(O)C[N@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430281366 271370389 /nfs/dbraw/zinc/37/03/89/271370389.db2.gz CKTSJXHJYCPXQU-ZFWWWQNUSA-N 2 1 278.440 2.143 20 0 CEADMP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000430553553 271387944 /nfs/dbraw/zinc/38/79/44/271387944.db2.gz DDYJSZSEENEDTE-ZIAGYGMSSA-N 2 1 291.439 2.169 20 0 CEADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000430553553 271387948 /nfs/dbraw/zinc/38/79/48/271387948.db2.gz DDYJSZSEENEDTE-ZIAGYGMSSA-N 2 1 291.439 2.169 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NCc1cccs1 ZINC000430594270 271395826 /nfs/dbraw/zinc/39/58/26/271395826.db2.gz QIRYEDIEJMCDRL-TZMCWYRMSA-N 2 1 297.468 2.058 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NCc1cccs1 ZINC000430594270 271395829 /nfs/dbraw/zinc/39/58/29/271395829.db2.gz QIRYEDIEJMCDRL-TZMCWYRMSA-N 2 1 297.468 2.058 20 0 CEADMP COc1cc2c(c(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)c1)O[C@@H](C)C2 ZINC000347141427 274100700 /nfs/dbraw/zinc/10/07/00/274100700.db2.gz WJSLFFSMLOGLOE-MKBNYLNASA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(c(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)c1)O[C@@H](C)C2 ZINC000347141427 274100703 /nfs/dbraw/zinc/10/07/03/274100703.db2.gz WJSLFFSMLOGLOE-MKBNYLNASA-N 2 1 290.407 2.188 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000414947814 274278053 /nfs/dbraw/zinc/27/80/53/274278053.db2.gz XAWHAEOZFCLJLO-FZCLSBEQSA-N 2 1 287.451 2.410 20 0 CEADMP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000414947814 274278054 /nfs/dbraw/zinc/27/80/54/274278054.db2.gz XAWHAEOZFCLJLO-FZCLSBEQSA-N 2 1 287.451 2.410 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000361173332 274336166 /nfs/dbraw/zinc/33/61/66/274336166.db2.gz FXVZKHITELFQSO-BFYDXBDKSA-N 2 1 273.424 2.195 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000361173332 274336167 /nfs/dbraw/zinc/33/61/67/274336167.db2.gz FXVZKHITELFQSO-BFYDXBDKSA-N 2 1 273.424 2.195 20 0 CEADMP Cc1ccccc1N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000335688942 274807630 /nfs/dbraw/zinc/80/76/30/274807630.db2.gz RCFCEGVJVPQUKQ-INIZCTEOSA-N 2 1 273.424 2.117 20 0 CEADMP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000415113235 275068296 /nfs/dbraw/zinc/06/82/96/275068296.db2.gz WLMCPPWWBJYVFI-XHSDSOJGSA-N 2 1 260.381 2.106 20 0 CEADMP c1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CO2 ZINC000293617864 275070518 /nfs/dbraw/zinc/07/05/18/275070518.db2.gz GZEXXUOMJYQZTJ-HNNXBMFYSA-N 2 1 272.392 2.207 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCN(c2nccs2)CC1 ZINC000414853107 275595924 /nfs/dbraw/zinc/59/59/24/275595924.db2.gz RUTFEQLOUJRKCK-CYBMUJFWSA-N 2 1 282.457 2.075 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000127021517 276005350 /nfs/dbraw/zinc/00/53/50/276005350.db2.gz ZBWIYRWWIZXSFV-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CCCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000127021517 276005352 /nfs/dbraw/zinc/00/53/52/276005352.db2.gz ZBWIYRWWIZXSFV-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CCCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000127021517 276005354 /nfs/dbraw/zinc/00/53/54/276005354.db2.gz ZBWIYRWWIZXSFV-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NC1CCCCC1 ZINC000251382409 276020829 /nfs/dbraw/zinc/02/08/29/276020829.db2.gz ZLCLTCAVOUIBEB-UKRRQHHQSA-N 2 1 283.460 2.129 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NC1CCCCC1 ZINC000251382409 276020831 /nfs/dbraw/zinc/02/08/31/276020831.db2.gz ZLCLTCAVOUIBEB-UKRRQHHQSA-N 2 1 283.460 2.129 20 0 CEADMP CCC[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000300410530 276041827 /nfs/dbraw/zinc/04/18/27/276041827.db2.gz IHTVKXFRMZBOKD-BYNSBNAKSA-N 2 1 256.434 2.103 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC12CCOCC2 ZINC000372810555 276096218 /nfs/dbraw/zinc/09/62/18/276096218.db2.gz SYMFYPHHMCCBKX-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP CC1CCC(O)(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000130769775 276191591 /nfs/dbraw/zinc/19/15/91/276191591.db2.gz GTZGHBXWMYLRKZ-HWOWSKLDSA-N 2 1 268.445 2.201 20 0 CEADMP CC1CCC(O)(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000130769775 276191594 /nfs/dbraw/zinc/19/15/94/276191594.db2.gz GTZGHBXWMYLRKZ-HWOWSKLDSA-N 2 1 268.445 2.201 20 0 CEADMP CC1CCC(O)(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000130769775 276191595 /nfs/dbraw/zinc/19/15/95/276191595.db2.gz GTZGHBXWMYLRKZ-HWOWSKLDSA-N 2 1 268.445 2.201 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CC(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000358383468 276228183 /nfs/dbraw/zinc/22/81/83/276228183.db2.gz OXRJONIYFZOSAR-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000358383468 276228184 /nfs/dbraw/zinc/22/81/84/276228184.db2.gz OXRJONIYFZOSAR-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@@H](C[NH3+])CC(C)C)CC1 ZINC000414855911 276274473 /nfs/dbraw/zinc/27/44/73/276274473.db2.gz XWFKDCFYWAYVIF-JXQTWKCFSA-N 2 1 270.417 2.071 20 0 CEADMP CCOCC(C)(C)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000288533307 276452096 /nfs/dbraw/zinc/45/20/96/276452096.db2.gz KHLLWGWVXNDHMK-UHFFFAOYSA-N 2 1 265.401 2.300 20 0 CEADMP C[NH+]1CCC(C[NH2+][C@H]2C[C@H](N)c3ccccc32)CC1 ZINC000132065343 277026911 /nfs/dbraw/zinc/02/69/11/277026911.db2.gz VCMCYAHNEXQUKC-HOTGVXAUSA-N 2 1 259.397 2.063 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H]2CCN(c3ccccc3F)C2)CC1 ZINC000366037522 277030917 /nfs/dbraw/zinc/03/09/17/277030917.db2.gz DFBSCGBAMALKJW-CQSZACIVSA-N 2 1 291.414 2.336 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000415895394 277034211 /nfs/dbraw/zinc/03/42/11/277034211.db2.gz AWWZPHODDVZKQT-ZDUSSCGKSA-N 2 1 292.427 2.256 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC000335109061 277042264 /nfs/dbraw/zinc/04/22/64/277042264.db2.gz YFQUVDHELKUDBF-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC000335109061 277042266 /nfs/dbraw/zinc/04/22/66/277042266.db2.gz YFQUVDHELKUDBF-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000368235082 277077570 /nfs/dbraw/zinc/07/75/70/277077570.db2.gz NRZKVZUQDDZXFC-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)(C)CC[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000187944963 277142116 /nfs/dbraw/zinc/14/21/16/277142116.db2.gz KDQXGYWERDWIDL-CQSZACIVSA-N 2 1 256.434 2.249 20 0 CEADMP COCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246964184 277204176 /nfs/dbraw/zinc/20/41/76/277204176.db2.gz VBRMIGGKNCYSIL-GOEBONIOSA-N 2 1 266.429 2.362 20 0 CEADMP COCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246964184 277204177 /nfs/dbraw/zinc/20/41/77/277204177.db2.gz VBRMIGGKNCYSIL-GOEBONIOSA-N 2 1 266.429 2.362 20 0 CEADMP COCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246964184 277204179 /nfs/dbraw/zinc/20/41/79/277204179.db2.gz VBRMIGGKNCYSIL-GOEBONIOSA-N 2 1 266.429 2.362 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C)CC1)CC2 ZINC000092835728 277981333 /nfs/dbraw/zinc/98/13/33/277981333.db2.gz LEWHMCPDBFHKLB-INIZCTEOSA-N 2 1 260.381 2.366 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCO1 ZINC000352612942 278011574 /nfs/dbraw/zinc/01/15/74/278011574.db2.gz SOUXNWSHAOUGGS-OAGGEKHMSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000336810925 278029048 /nfs/dbraw/zinc/02/90/48/278029048.db2.gz KBWUJYJVVHXVKL-DDHJBXDOSA-N 2 1 280.334 2.169 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000336810925 278029050 /nfs/dbraw/zinc/02/90/50/278029050.db2.gz KBWUJYJVVHXVKL-DDHJBXDOSA-N 2 1 280.334 2.169 20 0 CEADMP C[C@@H]1OCC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000119972393 278056303 /nfs/dbraw/zinc/05/63/03/278056303.db2.gz LFOBUDQLCZHZEO-ZFWWWQNUSA-N 2 1 254.418 2.408 20 0 CEADMP CC1(C)CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000251151945 278282537 /nfs/dbraw/zinc/28/25/37/278282537.db2.gz LMNBHWMLKYPZOU-IHRRRGAJSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000251151945 278282540 /nfs/dbraw/zinc/28/25/40/278282540.db2.gz LMNBHWMLKYPZOU-IHRRRGAJSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H](O)CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000354697693 278286974 /nfs/dbraw/zinc/28/69/74/278286974.db2.gz BEWYNUCIUJWGTL-SQWLQELKSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@H](O)CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000354697693 278286975 /nfs/dbraw/zinc/28/69/75/278286975.db2.gz BEWYNUCIUJWGTL-SQWLQELKSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@H](O)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000354697693 278286977 /nfs/dbraw/zinc/28/69/77/278286977.db2.gz BEWYNUCIUJWGTL-SQWLQELKSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@H](O)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000354697693 278286979 /nfs/dbraw/zinc/28/69/79/278286979.db2.gz BEWYNUCIUJWGTL-SQWLQELKSA-N 2 1 266.429 2.096 20 0 CEADMP CC[C@H]([NH2+][C@@H](C)C[NH+](CC)CC)C1(C(=O)OC)CCC1 ZINC000353544756 288058912 /nfs/dbraw/zinc/05/89/12/288058912.db2.gz JNLHHTINRIRHND-KBPBESRZSA-N 2 1 284.444 2.428 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400462942 279129635 /nfs/dbraw/zinc/12/96/35/279129635.db2.gz RZEBWPQFCIARQM-JSGCOSHPSA-N 2 1 272.396 2.075 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000361170223 279185957 /nfs/dbraw/zinc/18/59/57/279185957.db2.gz XXJMXEIJZJHJAZ-UONOGXRCSA-N 2 1 299.422 2.100 20 0 CEADMP C[C@H](C1CCCCC1)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338338178 279242835 /nfs/dbraw/zinc/24/28/35/279242835.db2.gz BHVZPKRHRYDVRT-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H](C1CCCCC1)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338338178 279242839 /nfs/dbraw/zinc/24/28/39/279242839.db2.gz BHVZPKRHRYDVRT-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358184229 279253058 /nfs/dbraw/zinc/25/30/58/279253058.db2.gz XEQUSDCWCOCSLK-IPYPFGDCSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358184229 279253061 /nfs/dbraw/zinc/25/30/61/279253061.db2.gz XEQUSDCWCOCSLK-IPYPFGDCSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000370777597 279350861 /nfs/dbraw/zinc/35/08/61/279350861.db2.gz ZPKMZWFBXBPAKG-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000300413133 279355296 /nfs/dbraw/zinc/35/52/96/279355296.db2.gz YQJVUOGVHDUNJD-ILXRZTDVSA-N 2 1 255.450 2.035 20 0 CEADMP CC(C)[NH+](C)CCCN[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000300413133 279355298 /nfs/dbraw/zinc/35/52/98/279355298.db2.gz YQJVUOGVHDUNJD-ILXRZTDVSA-N 2 1 255.450 2.035 20 0 CEADMP CC(C)[NH+](C)CCCN[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000300413133 279355300 /nfs/dbraw/zinc/35/53/00/279355300.db2.gz YQJVUOGVHDUNJD-ILXRZTDVSA-N 2 1 255.450 2.035 20 0 CEADMP CC(C)[N@H+](C)CCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000224246249 279360238 /nfs/dbraw/zinc/36/02/38/279360238.db2.gz OBSUQDQYXVRWSF-HUUCEWRRSA-N 2 1 255.450 2.227 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000333333647 279367722 /nfs/dbraw/zinc/36/77/22/279367722.db2.gz WRXBPHCYANVSGE-SNPRPXQTSA-N 2 1 276.428 2.167 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000193980531 279396128 /nfs/dbraw/zinc/39/61/28/279396128.db2.gz KALAZFXLWJPOBA-ZJIFWQFVSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@@H](Cn1cccn1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000137969891 280070096 /nfs/dbraw/zinc/07/00/96/280070096.db2.gz UGJDGMUVRMLBFG-INIZCTEOSA-N 2 1 286.423 2.383 20 0 CEADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+](CC)CC ZINC000360121708 280081220 /nfs/dbraw/zinc/08/12/20/280081220.db2.gz ASAUCUIENSIWGL-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000228298257 280217286 /nfs/dbraw/zinc/21/72/86/280217286.db2.gz RBTAFIYOZDUJJH-PBHICJAKSA-N 2 1 288.435 2.484 20 0 CEADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000262187483 280286190 /nfs/dbraw/zinc/28/61/90/280286190.db2.gz XYCDGAPSEXJWKW-BRWVUGGUSA-N 2 1 279.472 2.182 20 0 CEADMP CC1CCC(O)(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000246335261 280288056 /nfs/dbraw/zinc/28/80/56/280288056.db2.gz LJKWVDFDUDOEFY-PYBGIAKNSA-N 2 1 268.445 2.342 20 0 CEADMP CC1CCC(O)(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000246335261 280288057 /nfs/dbraw/zinc/28/80/57/280288057.db2.gz LJKWVDFDUDOEFY-PYBGIAKNSA-N 2 1 268.445 2.342 20 0 CEADMP CC1CCC(O)(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246335261 280288058 /nfs/dbraw/zinc/28/80/58/280288058.db2.gz LJKWVDFDUDOEFY-PYBGIAKNSA-N 2 1 268.445 2.342 20 0 CEADMP CC1CCC(O)(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246335261 280288059 /nfs/dbraw/zinc/28/80/59/280288059.db2.gz LJKWVDFDUDOEFY-PYBGIAKNSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000247129272 280320989 /nfs/dbraw/zinc/32/09/89/280320989.db2.gz RPOVZHMSCGOYDK-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP CCOc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1F ZINC000258867660 280527396 /nfs/dbraw/zinc/52/73/96/280527396.db2.gz APKUSXSSDNXZGE-CYBMUJFWSA-N 2 1 266.360 2.456 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422838012 280931515 /nfs/dbraw/zinc/93/15/15/280931515.db2.gz NNHNVKSYDOUPNA-IJEWVQPXSA-N 3 1 267.461 2.085 20 0 CEADMP C[C@@H]([NH2+]Cc1cc(Br)cs1)C1C[NH2+]C1 ZINC000422904073 280956057 /nfs/dbraw/zinc/95/60/57/280956057.db2.gz WWEUZURVKYFWFL-SSDOTTSWSA-N 2 1 275.215 2.208 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000422926833 280968626 /nfs/dbraw/zinc/96/86/26/280968626.db2.gz XPPMTOGEDVRPKU-UMVBOHGHSA-N 2 1 292.423 2.365 20 0 CEADMP C[C@@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)C1C[NH2+]C1 ZINC000422970029 280978130 /nfs/dbraw/zinc/97/81/30/280978130.db2.gz DZQISCFYXVVALB-CQSZACIVSA-N 2 1 297.402 2.358 20 0 CEADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)C2 ZINC000423030802 281001167 /nfs/dbraw/zinc/00/11/67/281001167.db2.gz WIJRAGXCSPTPOF-WCQYABFASA-N 2 1 299.374 2.157 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000423029897 281001278 /nfs/dbraw/zinc/00/12/78/281001278.db2.gz IXVQGLHMUALNIO-VJANTYMQSA-N 2 1 299.462 2.239 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCCS1)c1c[nH+]ccc1N ZINC000423038505 281005496 /nfs/dbraw/zinc/00/54/96/281005496.db2.gz YVJPPKVWPIJHCD-QWRGUYRKSA-N 2 1 251.399 2.430 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000423060181 281015138 /nfs/dbraw/zinc/01/51/38/281015138.db2.gz HNNJIEUHIMCXBI-VHSXEESVSA-N 2 1 280.803 2.442 20 0 CEADMP COc1ccc(F)cc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423062597 281017374 /nfs/dbraw/zinc/01/73/74/281017374.db2.gz NHXFBVGUPBBOPL-RISCZKNCSA-N 2 1 266.360 2.312 20 0 CEADMP CC[NH2+][C@H](C)CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423380541 281026301 /nfs/dbraw/zinc/02/63/01/281026301.db2.gz MXHZMPHVYFWVQB-RYRKJORJSA-N 2 1 289.467 2.485 20 0 CEADMP C[C@@H](C[NH3+])N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423380862 281026316 /nfs/dbraw/zinc/02/63/16/281026316.db2.gz YZAXPUDZWAVTHJ-LLLHUVSDSA-N 2 1 273.424 2.119 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000423407733 281032358 /nfs/dbraw/zinc/03/23/58/281032358.db2.gz NDTGITQXONBUIR-DZGCQCFKSA-N 2 1 295.471 2.131 20 0 CEADMP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000423437288 281041900 /nfs/dbraw/zinc/04/19/00/281041900.db2.gz UFRLJSQWBMSYGX-RFQIPJPRSA-N 2 1 293.208 2.244 20 0 CEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)cc1 ZINC000423439593 281042874 /nfs/dbraw/zinc/04/28/74/281042874.db2.gz SLPLSKBUTHLBGX-HWNAMQAFSA-N 2 1 281.197 2.318 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000423446862 281044919 /nfs/dbraw/zinc/04/49/19/281044919.db2.gz ZFZDLLKSDKAOKU-DTTOXWODSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccccc1-n1ccnn1 ZINC000423496488 281056133 /nfs/dbraw/zinc/05/61/33/281056133.db2.gz DZQJGTJLXCSFLD-CZUORRHYSA-N 2 1 299.422 2.435 20 0 CEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccccc1-n1ccnn1 ZINC000423496486 281056166 /nfs/dbraw/zinc/05/61/66/281056166.db2.gz DZQJGTJLXCSFLD-BBRMVZONSA-N 2 1 299.422 2.435 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423769728 281088180 /nfs/dbraw/zinc/08/81/80/281088180.db2.gz GMJDTZZBVDGMNW-PMPSAXMXSA-N 2 1 297.487 2.249 20 0 CEADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC[C@H]1CCC[NH+]1C ZINC000336803367 288294069 /nfs/dbraw/zinc/29/40/69/288294069.db2.gz YENGEGDTGIGSHO-BZUAXINKSA-N 2 1 265.445 2.029 20 0 CEADMP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1CC[C@H]1CCC[N@@H+]1C ZINC000336803367 288294070 /nfs/dbraw/zinc/29/40/70/288294070.db2.gz YENGEGDTGIGSHO-BZUAXINKSA-N 2 1 265.445 2.029 20 0 CEADMP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1CC[C@H]1CCC[N@H+]1C ZINC000336803367 288294072 /nfs/dbraw/zinc/29/40/72/288294072.db2.gz YENGEGDTGIGSHO-BZUAXINKSA-N 2 1 265.445 2.029 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC23CC3)[C@@H](C)C1 ZINC000424314285 281148076 /nfs/dbraw/zinc/14/80/76/281148076.db2.gz CEGWYXUINLXPEP-KKUMJFAQSA-N 2 1 266.429 2.266 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C[C@H]2C1 ZINC000424314571 281148144 /nfs/dbraw/zinc/14/81/44/281148144.db2.gz OSGWQDGDGZYBRW-AQGHMYMLSA-N 2 1 266.429 2.262 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C[C@H]2C1 ZINC000424314571 281148145 /nfs/dbraw/zinc/14/81/45/281148145.db2.gz OSGWQDGDGZYBRW-AQGHMYMLSA-N 2 1 266.429 2.262 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424380998 281155101 /nfs/dbraw/zinc/15/51/01/281155101.db2.gz QIQDZPOCBGYBTC-ZDUSSCGKSA-N 2 1 290.407 2.365 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000424418003 281157107 /nfs/dbraw/zinc/15/71/07/281157107.db2.gz AOJSCJJIXPUEAV-CYBMUJFWSA-N 2 1 292.427 2.304 20 0 CEADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH3+])CC2)c(F)c1 ZINC000430630864 281271568 /nfs/dbraw/zinc/27/15/68/281271568.db2.gz SSVPDYKRUFYTLW-GFCCVEGCSA-N 2 1 293.386 2.132 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2nc3ccccc3nc2C)C1 ZINC000430642713 281272719 /nfs/dbraw/zinc/27/27/19/281272719.db2.gz KRHYTQRGWRELHE-AWEZNQCLSA-N 2 1 284.407 2.370 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3nc2C)C1 ZINC000430642713 281272721 /nfs/dbraw/zinc/27/27/21/281272721.db2.gz KRHYTQRGWRELHE-AWEZNQCLSA-N 2 1 284.407 2.370 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000430937899 281283315 /nfs/dbraw/zinc/28/33/15/281283315.db2.gz GCDXOYDTFDOTTE-CZUORRHYSA-N 2 1 278.396 2.133 20 0 CEADMP CC1CC[NH+](CCNC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000431743734 281316035 /nfs/dbraw/zinc/31/60/35/281316035.db2.gz XVZZQXYHXOAFHG-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000431852387 281322813 /nfs/dbraw/zinc/32/28/13/281322813.db2.gz WWKRQIRXPBQAIN-HZPDHXFCSA-N 2 1 297.487 2.247 20 0 CEADMP CC[N@@H+](Cc1ccc(-n2cncn2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435390881 281387593 /nfs/dbraw/zinc/38/75/93/281387593.db2.gz CHKCMOYLIXPARK-MRXNPFEDSA-N 2 1 299.422 2.231 20 0 CEADMP C[NH+](C)C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000250360022 282046725 /nfs/dbraw/zinc/04/67/25/282046725.db2.gz SDUZWKMUCUREML-HOTGVXAUSA-N 2 1 279.472 2.467 20 0 CEADMP CCCCOCCOCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000152133254 289077884 /nfs/dbraw/zinc/07/78/84/289077884.db2.gz BZPUZPZBJGRUNO-ARFHVFGLSA-N 2 1 286.460 2.138 20 0 CEADMP CC[N@@H+](CC(=O)NCCCCC[NH+]1CCCCC1)C1CC1 ZINC000152465094 289090106 /nfs/dbraw/zinc/09/01/06/289090106.db2.gz OUWVRONTDSKPFD-UHFFFAOYSA-N 2 1 295.471 2.243 20 0 CEADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)C(C)C ZINC000154514260 289148265 /nfs/dbraw/zinc/14/82/65/289148265.db2.gz AAAZDYPSOWYFHQ-MRXNPFEDSA-N 2 1 269.477 2.428 20 0 CEADMP Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)nc1 ZINC000157168402 289209001 /nfs/dbraw/zinc/20/90/01/289209001.db2.gz LVUHDOJQXIHCMI-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)nc1 ZINC000157168402 289209002 /nfs/dbraw/zinc/20/90/02/289209002.db2.gz LVUHDOJQXIHCMI-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)nc1 ZINC000157168402 289209007 /nfs/dbraw/zinc/20/90/07/289209007.db2.gz LVUHDOJQXIHCMI-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)nc1 ZINC000157168402 289209010 /nfs/dbraw/zinc/20/90/10/289209010.db2.gz LVUHDOJQXIHCMI-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)nc1 ZINC000157168402 289209012 /nfs/dbraw/zinc/20/90/12/289209012.db2.gz LVUHDOJQXIHCMI-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1F ZINC000157304613 289211845 /nfs/dbraw/zinc/21/18/45/289211845.db2.gz KYZJCXGPHVLTBF-DOMZBBRYSA-N 2 1 250.361 2.298 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000158242006 289230532 /nfs/dbraw/zinc/23/05/32/289230532.db2.gz KTENCPRTBNMCMY-UONOGXRCSA-N 2 1 264.417 2.456 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000158242006 289230533 /nfs/dbraw/zinc/23/05/33/289230533.db2.gz KTENCPRTBNMCMY-UONOGXRCSA-N 2 1 264.417 2.456 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCN(C)C(=O)OC(C)(C)C ZINC000158655096 289238018 /nfs/dbraw/zinc/23/80/18/289238018.db2.gz VRDSVBKGHNXIRF-HZSPNIEDSA-N 2 1 299.459 2.172 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(-n2ccnc2)cc1 ZINC000401788989 289288479 /nfs/dbraw/zinc/28/84/79/289288479.db2.gz VJTSEBWDDVFVKW-CQSZACIVSA-N 2 1 295.390 2.499 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC1CCCC1 ZINC000371294296 289323057 /nfs/dbraw/zinc/32/30/57/289323057.db2.gz JUQRZKAWYUUGDM-BZUAXINKSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCCCF ZINC000367072962 289331881 /nfs/dbraw/zinc/33/18/81/289331881.db2.gz IDMNFLWMBORAPA-QLFBSQMISA-N 2 1 272.408 2.310 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1ccc(NC(N)=O)cc1 ZINC000129527365 290051769 /nfs/dbraw/zinc/05/17/69/290051769.db2.gz QNCFOPGAJTZRKS-XUJVJEKNSA-N 2 1 290.411 2.168 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1ccc(NC(N)=O)cc1 ZINC000129527365 290051772 /nfs/dbraw/zinc/05/17/72/290051772.db2.gz QNCFOPGAJTZRKS-XUJVJEKNSA-N 2 1 290.411 2.168 20 0 CEADMP C[N@H+](Cc1cnc(C2CC2)nc1)CC1CC[NH+](C)CC1 ZINC000459333872 290120085 /nfs/dbraw/zinc/12/00/85/290120085.db2.gz DUMOLPMJNHKMQD-UHFFFAOYSA-N 2 1 274.412 2.128 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](CCOCC2CCCC2)C1 ZINC000459337750 290120828 /nfs/dbraw/zinc/12/08/28/290120828.db2.gz FYQRMTPEXAJKJO-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOCC2CCCC2)C1 ZINC000459337750 290120829 /nfs/dbraw/zinc/12/08/29/290120829.db2.gz FYQRMTPEXAJKJO-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP C[C@H](CNC1CC[NH+](C2CC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000459367327 290128173 /nfs/dbraw/zinc/12/81/73/290128173.db2.gz DMNLEINIFSZKNV-HUUCEWRRSA-N 2 1 279.472 2.466 20 0 CEADMP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459423953 290144349 /nfs/dbraw/zinc/14/43/49/290144349.db2.gz PQITYPYDZMVPGS-GFCCVEGCSA-N 2 1 290.455 2.184 20 0 CEADMP Cc1nn(C)c(C)c1CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459453192 290153184 /nfs/dbraw/zinc/15/31/84/290153184.db2.gz AENLBOXLOLKJMH-UHFFFAOYSA-N 2 1 290.455 2.186 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459675602 290208294 /nfs/dbraw/zinc/20/82/94/290208294.db2.gz NESPMOLCOFDFOR-CVEARBPZSA-N 2 1 289.423 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459675602 290208296 /nfs/dbraw/zinc/20/82/96/290208296.db2.gz NESPMOLCOFDFOR-CVEARBPZSA-N 2 1 289.423 2.473 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@H]1C ZINC000459730596 290220096 /nfs/dbraw/zinc/22/00/96/290220096.db2.gz DXKRVSGIOVGGGU-FZKCQIBNSA-N 2 1 296.455 2.286 20 0 CEADMP CCN(C)c1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000459735092 290221612 /nfs/dbraw/zinc/22/16/12/290221612.db2.gz HOEHDBGSEHOHMC-OAHLLOKOSA-N 2 1 290.455 2.359 20 0 CEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCOC1 ZINC000459794316 290243002 /nfs/dbraw/zinc/24/30/02/290243002.db2.gz UIQWGYNKXWSGCC-ZNMIVQPWSA-N 2 1 254.418 2.123 20 0 CEADMP CC[NH+](CC)C[C@H](C)Nc1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000462372751 290258621 /nfs/dbraw/zinc/25/86/21/290258621.db2.gz ZBNQWCPJXOLIEX-ZDUSSCGKSA-N 2 1 293.459 2.230 20 0 CEADMP C(=C\c1ccncc1)\C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000486955059 290323178 /nfs/dbraw/zinc/32/31/78/290323178.db2.gz JXFXUKOQICEOHY-JNXQLMTMSA-N 2 1 257.381 2.311 20 0 CEADMP C(=C\c1ccncc1)\C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000486955059 290323179 /nfs/dbraw/zinc/32/31/79/290323179.db2.gz JXFXUKOQICEOHY-JNXQLMTMSA-N 2 1 257.381 2.311 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@H+](C)[C@@H](C(C)C)C2)c1C ZINC000488053079 290376846 /nfs/dbraw/zinc/37/68/46/290376846.db2.gz OJTJUGLKHRDHDG-MRXNPFEDSA-N 2 1 291.439 2.479 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)[C@@H](C(C)C)C2)c1C ZINC000488053079 290376848 /nfs/dbraw/zinc/37/68/48/290376848.db2.gz OJTJUGLKHRDHDG-MRXNPFEDSA-N 2 1 291.439 2.479 20 0 CEADMP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360027792 293094737 /nfs/dbraw/zinc/09/47/37/293094737.db2.gz AHRFSTRZXBTEEE-KKUMJFAQSA-N 2 1 254.418 2.264 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4c3OCCCO4)C[C@H]12 ZINC000346840862 295321046 /nfs/dbraw/zinc/32/10/46/295321046.db2.gz GRLFOBGUTLNYMZ-VHDGCEQUSA-N 2 1 288.391 2.017 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](CCN(C)C)C2CCCC2)CC[NH2+]1 ZINC000414735769 297248332 /nfs/dbraw/zinc/24/83/32/297248332.db2.gz MOLLXJHIJLBWBA-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+]1CCC([NH2+]CCc2cccc3c2OC(F)(F)O3)CC1 ZINC000527754956 297744850 /nfs/dbraw/zinc/74/48/50/297744850.db2.gz NBGCQZHYDOUGKJ-UHFFFAOYSA-N 2 1 298.333 2.234 20 0 CEADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530177189 298045601 /nfs/dbraw/zinc/04/56/01/298045601.db2.gz IXTLVWFLTBMCFL-HIFRSBDPSA-N 2 1 287.407 2.278 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000530216579 298053241 /nfs/dbraw/zinc/05/32/41/298053241.db2.gz BRRIQPPRSPCUDD-IVMMDQJWSA-N 2 1 280.387 2.052 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNc2ccnc3ccncc32)C1 ZINC000531534940 298109536 /nfs/dbraw/zinc/10/95/36/298109536.db2.gz GBIPJATYQYETOI-CYBMUJFWSA-N 2 1 270.380 2.194 20 0 CEADMP CC[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677745 298115804 /nfs/dbraw/zinc/11/58/04/298115804.db2.gz RGJGNSIOGRYBHH-KBPBESRZSA-N 2 1 281.469 2.425 20 0 CEADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366865581 298127470 /nfs/dbraw/zinc/12/74/70/298127470.db2.gz CZOKLHKZGCSDCX-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](C(=O)NCC[NH+]1CCCC[C@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101643519 298154367 /nfs/dbraw/zinc/15/43/67/298154367.db2.gz SPIDQIHSIOARRZ-LVQVYYBASA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000101643519 298154369 /nfs/dbraw/zinc/15/43/69/298154369.db2.gz SPIDQIHSIOARRZ-LVQVYYBASA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000101643519 298154372 /nfs/dbraw/zinc/15/43/72/298154372.db2.gz SPIDQIHSIOARRZ-LVQVYYBASA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H](O)C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000534314728 298172783 /nfs/dbraw/zinc/17/27/83/298172783.db2.gz BJEIFIJMKVPLMG-RDJZCZTQSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@H](O)C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000534314728 298172784 /nfs/dbraw/zinc/17/27/84/298172784.db2.gz BJEIFIJMKVPLMG-RDJZCZTQSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@H](O)C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000534314728 298172787 /nfs/dbraw/zinc/17/27/87/298172787.db2.gz BJEIFIJMKVPLMG-RDJZCZTQSA-N 2 1 276.424 2.354 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(-n3cccn3)c2)CC1 ZINC000539546044 298249831 /nfs/dbraw/zinc/24/98/31/298249831.db2.gz BNWGAUIOEKCQHZ-UHFFFAOYSA-N 2 1 282.391 2.224 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000542560615 298293646 /nfs/dbraw/zinc/29/36/46/298293646.db2.gz HQOYYSNLXCOKAA-JKSUJKDBSA-N 2 1 295.471 2.275 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC(=O)Nc2ccccc21 ZINC000543401160 298308138 /nfs/dbraw/zinc/30/81/38/298308138.db2.gz KKIWLHOLSMSDBN-AWEZNQCLSA-N 2 1 284.363 2.255 20 0 CEADMP Cc1n[nH]cc1C1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000566417845 298978956 /nfs/dbraw/zinc/97/89/56/298978956.db2.gz VDKJNEZIXKUUAP-UHFFFAOYSA-N 2 1 287.411 2.264 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000335069966 300217736 /nfs/dbraw/zinc/21/77/36/300217736.db2.gz OFQUKYBZEKVSRP-RLIYEPBISA-N 2 1 291.483 2.070 20 0 CEADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)[C@@H]1CCOC1 ZINC000164680136 312661702 /nfs/dbraw/zinc/66/17/02/312661702.db2.gz YUYVAVZNJAMDLL-CABCVRRESA-N 2 1 265.401 2.376 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000515654193 313075253 /nfs/dbraw/zinc/07/52/53/313075253.db2.gz IEWDQASLOTYVTA-QXSJWSMHSA-N 2 1 295.471 2.001 20 0 CEADMP CCN(C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000520833349 313122534 /nfs/dbraw/zinc/12/25/34/313122534.db2.gz WWETXGHUTXVIKD-GOEBONIOSA-N 2 1 294.439 2.437 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](CC(C)C)CC(C)(C)C ZINC000521529574 313127856 /nfs/dbraw/zinc/12/78/56/313127856.db2.gz BQCFUSGPNUEFOR-AWEZNQCLSA-N 2 1 258.450 2.303 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](CC(C)C)CC(C)(C)C ZINC000521529574 313127857 /nfs/dbraw/zinc/12/78/57/313127857.db2.gz BQCFUSGPNUEFOR-AWEZNQCLSA-N 2 1 258.450 2.303 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CC(C)C)CC(C)(C)C ZINC000521529574 313127858 /nfs/dbraw/zinc/12/78/58/313127858.db2.gz BQCFUSGPNUEFOR-AWEZNQCLSA-N 2 1 258.450 2.303 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC(C)C)CC(C)(C)C ZINC000521529574 313127859 /nfs/dbraw/zinc/12/78/59/313127859.db2.gz BQCFUSGPNUEFOR-AWEZNQCLSA-N 2 1 258.450 2.303 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3COC3)CC23CC3)cc1 ZINC000527821528 313208716 /nfs/dbraw/zinc/20/87/16/313208716.db2.gz UZQUZMVPHVCKLS-KRWDZBQOSA-N 2 1 286.419 2.420 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3COC3)CC23CC3)cc1 ZINC000527821528 313208718 /nfs/dbraw/zinc/20/87/18/313208718.db2.gz UZQUZMVPHVCKLS-KRWDZBQOSA-N 2 1 286.419 2.420 20 0 CEADMP C[C@H]1CC(F)(F)CC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000530233182 313286703 /nfs/dbraw/zinc/28/67/03/313286703.db2.gz UXDJWSWFWBLNOO-QEJZJMRPSA-N 2 1 298.377 2.037 20 0 CEADMP C[C@H]1CC(F)(F)CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000530233182 313286706 /nfs/dbraw/zinc/28/67/06/313286706.db2.gz UXDJWSWFWBLNOO-QEJZJMRPSA-N 2 1 298.377 2.037 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1CCOCC1 ZINC000535763333 313397361 /nfs/dbraw/zinc/39/73/61/313397361.db2.gz USZWUPJFYKUPSS-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1CCOCC1 ZINC000535763333 313397365 /nfs/dbraw/zinc/39/73/65/313397365.db2.gz USZWUPJFYKUPSS-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP CCc1cc(NCC[C@@H](C)[NH+]2CCCCC2)nc(C)[nH+]1 ZINC000542267955 313441867 /nfs/dbraw/zinc/44/18/67/313441867.db2.gz IAYXAVLLVXDLGL-CYBMUJFWSA-N 2 1 276.428 2.446 20 0 CEADMP Cc1ccccc1[C@@H](CO)[NH2+]CCC[NH+]1CCCCC1 ZINC000548068441 313552825 /nfs/dbraw/zinc/55/28/25/313552825.db2.gz MPSBNFPSXASECK-QGZVFWFLSA-N 2 1 276.424 2.494 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000563351337 313730408 /nfs/dbraw/zinc/73/04/08/313730408.db2.gz ZCQRHROYQYQZTQ-INIZCTEOSA-N 2 1 279.428 2.274 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000566087773 313848201 /nfs/dbraw/zinc/84/82/01/313848201.db2.gz OMEBUDXQHZBETL-LBPRGKRZSA-N 2 1 293.411 2.304 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000567042916 313881398 /nfs/dbraw/zinc/88/13/98/313881398.db2.gz HZSJQEOFMNSEIZ-FVQBIDKESA-N 2 1 277.412 2.148 20 0 CEADMP CC1CCC(C)(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000571874418 314108407 /nfs/dbraw/zinc/10/84/07/314108407.db2.gz IYYAPBQCCPMZSR-OGVSOVDVSA-N 2 1 268.445 2.248 20 0 CEADMP CC1CCC(C)(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000571874418 314108410 /nfs/dbraw/zinc/10/84/10/314108410.db2.gz IYYAPBQCCPMZSR-OGVSOVDVSA-N 2 1 268.445 2.248 20 0 CEADMP COc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1)O[C@H](C)C2 ZINC000571981505 314114802 /nfs/dbraw/zinc/11/48/02/314114802.db2.gz NXXCIZOULPBAPE-YWPYICTPSA-N 2 1 290.407 2.249 20 0 CEADMP Cc1cnc(C)nc1NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000573576151 314170670 /nfs/dbraw/zinc/17/06/70/314170670.db2.gz IUQSKLCCKSPVPD-CQSZACIVSA-N 2 1 296.418 2.374 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000574116453 314187365 /nfs/dbraw/zinc/18/73/65/314187365.db2.gz WVAUDJNYSGAHSM-GOEBONIOSA-N 2 1 278.440 2.255 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cncnc1C ZINC000575195564 314214866 /nfs/dbraw/zinc/21/48/66/314214866.db2.gz NMAKTTBMGVLBCI-LLVKDONJSA-N 2 1 259.357 2.031 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000576526982 314284384 /nfs/dbraw/zinc/28/43/84/314284384.db2.gz MFWXQURDMLFUDU-JSGCOSHPSA-N 2 1 278.396 2.406 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000576526982 314284386 /nfs/dbraw/zinc/28/43/86/314284386.db2.gz MFWXQURDMLFUDU-JSGCOSHPSA-N 2 1 278.396 2.406 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ncccc2F)c2ccccc21 ZINC000576576159 314288863 /nfs/dbraw/zinc/28/88/63/314288863.db2.gz MUUSWDBXTXIVQN-CABCVRRESA-N 2 1 287.338 2.334 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000576968284 314329193 /nfs/dbraw/zinc/32/91/93/314329193.db2.gz WIRHUGDOWYCFTQ-AWEZNQCLSA-N 2 1 290.411 2.095 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000577059545 314336951 /nfs/dbraw/zinc/33/69/51/314336951.db2.gz WVAXERRUOWUCFD-BZUAXINKSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000577059545 314336954 /nfs/dbraw/zinc/33/69/54/314336954.db2.gz WVAXERRUOWUCFD-BZUAXINKSA-N 2 1 266.429 2.362 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1OC ZINC000577228767 314354928 /nfs/dbraw/zinc/35/49/28/314354928.db2.gz LFGASKWHEYAZJH-OCCSQVGLSA-N 2 1 278.396 2.406 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1OC ZINC000577228767 314354932 /nfs/dbraw/zinc/35/49/32/314354932.db2.gz LFGASKWHEYAZJH-OCCSQVGLSA-N 2 1 278.396 2.406 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1OC ZINC000577228766 314355023 /nfs/dbraw/zinc/35/50/23/314355023.db2.gz LFGASKWHEYAZJH-JSGCOSHPSA-N 2 1 278.396 2.406 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1OC ZINC000577228766 314355028 /nfs/dbraw/zinc/35/50/28/314355028.db2.gz LFGASKWHEYAZJH-JSGCOSHPSA-N 2 1 278.396 2.406 20 0 CEADMP C[N@@H+]1CC[C@@H]2CC[NH+](CC3Cc4ccccc4C3)[C@@H]2C1 ZINC000577431778 314376237 /nfs/dbraw/zinc/37/62/37/314376237.db2.gz BRYSCNORURLQSS-CRAIPNDOSA-N 2 1 270.420 2.427 20 0 CEADMP C[N@H+]1CC[C@@H]2CC[NH+](CC3Cc4ccccc4C3)[C@@H]2C1 ZINC000577431778 314376240 /nfs/dbraw/zinc/37/62/40/314376240.db2.gz BRYSCNORURLQSS-CRAIPNDOSA-N 2 1 270.420 2.427 20 0 CEADMP C[NH+]1CC[C@@H]2CC[N@H+](CC3Cc4ccccc4C3)[C@@H]2C1 ZINC000577431778 314376242 /nfs/dbraw/zinc/37/62/42/314376242.db2.gz BRYSCNORURLQSS-CRAIPNDOSA-N 2 1 270.420 2.427 20 0 CEADMP C[NH+]1CC[C@@H]2CC[N@@H+](CC3Cc4ccccc4C3)[C@@H]2C1 ZINC000577431778 314376245 /nfs/dbraw/zinc/37/62/45/314376245.db2.gz BRYSCNORURLQSS-CRAIPNDOSA-N 2 1 270.420 2.427 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2COc3cc(F)ccc3C2)CC[N@@H+]1C ZINC000580581265 322328933 /nfs/dbraw/zinc/32/89/33/322328933.db2.gz IDVKJNLZMFITKP-KCPJHIHWSA-N 2 1 278.371 2.202 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2COc3cc(F)ccc3C2)CC[N@H+]1C ZINC000580581265 322328935 /nfs/dbraw/zinc/32/89/35/322328935.db2.gz IDVKJNLZMFITKP-KCPJHIHWSA-N 2 1 278.371 2.202 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)NCC1CCCCC1 ZINC000580764746 322341622 /nfs/dbraw/zinc/34/16/22/322341622.db2.gz IOECGGFGAJVHAY-CKEIUWERSA-N 2 1 295.471 2.049 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C[C@H]1C[NH3+] ZINC000580880702 322351349 /nfs/dbraw/zinc/35/13/49/322351349.db2.gz CHNMZFMWTDYQEN-ZYHUDNBSSA-N 2 1 265.426 2.437 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C[C@H]1C[NH3+] ZINC000580880702 322351352 /nfs/dbraw/zinc/35/13/52/322351352.db2.gz CHNMZFMWTDYQEN-ZYHUDNBSSA-N 2 1 265.426 2.437 20 0 CEADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000584300747 327229110 /nfs/dbraw/zinc/22/91/10/327229110.db2.gz ZCRJJWSVPVDVDS-ZDUSSCGKSA-N 2 1 289.423 2.337 20 0 CEADMP CCn1cc(CC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC000560406536 327305517 /nfs/dbraw/zinc/30/55/17/327305517.db2.gz YKWOSKIEIJAACS-UHFFFAOYSA-N 2 1 292.471 2.498 20 0 CEADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCC2 ZINC000423497502 500752274 /nfs/dbraw/zinc/75/22/74/500752274.db2.gz ZBIUPSIMBWCVGZ-NEPJUHHUSA-N 2 1 295.452 2.051 20 0 CEADMP Cc1ccn(C2CC[NH+](C[C@@H]([NH3+])CC(C)C)CC2)n1 ZINC000414757249 500988977 /nfs/dbraw/zinc/98/89/77/500988977.db2.gz ABOHOVGBSPQHSB-AWEZNQCLSA-N 2 1 264.417 2.202 20 0 CEADMP C[C@H]([NH2+]Cc1nc2ccccc2n1C)[C@H]1CCC[NH2+]C1 ZINC000414846917 533943521 /nfs/dbraw/zinc/94/35/21/533943521.db2.gz FLPYPRYFUIUEKA-STQMWFEESA-N 2 1 272.396 2.051 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)c1cn[nH]c1)C[NH+]1CCCCC1 ZINC000310642002 518177495 /nfs/dbraw/zinc/17/74/95/518177495.db2.gz CLHHCEDFDBEKTA-STQMWFEESA-N 2 1 250.390 2.182 20 0 CEADMP Cc1noc(C)c1CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000166029023 534339541 /nfs/dbraw/zinc/33/95/41/534339541.db2.gz WQDOXPIZHYRRGA-AWEZNQCLSA-N 2 1 265.401 2.108 20 0 CEADMP Cc1noc(C)c1CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000166029023 534339554 /nfs/dbraw/zinc/33/95/54/534339554.db2.gz WQDOXPIZHYRRGA-AWEZNQCLSA-N 2 1 265.401 2.108 20 0 CEADMP Cc1noc(C)c1CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000166029023 534339560 /nfs/dbraw/zinc/33/95/60/534339560.db2.gz WQDOXPIZHYRRGA-AWEZNQCLSA-N 2 1 265.401 2.108 20 0 CEADMP Cc1noc(C)c1CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000166029023 534339563 /nfs/dbraw/zinc/33/95/63/534339563.db2.gz WQDOXPIZHYRRGA-AWEZNQCLSA-N 2 1 265.401 2.108 20 0 CEADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358264019 519825782 /nfs/dbraw/zinc/82/57/82/519825782.db2.gz YBIHEDOOSUXYPK-KLHDSHLOSA-N 2 1 268.445 2.103 20 0 CEADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358264019 519825783 /nfs/dbraw/zinc/82/57/83/519825783.db2.gz YBIHEDOOSUXYPK-KLHDSHLOSA-N 2 1 268.445 2.103 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000365193342 520607396 /nfs/dbraw/zinc/60/73/96/520607396.db2.gz VKSWOPFWAYRZCH-HNNXBMFYSA-N 2 1 264.417 2.252 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000365193342 520607402 /nfs/dbraw/zinc/60/74/02/520607402.db2.gz VKSWOPFWAYRZCH-HNNXBMFYSA-N 2 1 264.417 2.252 20 0 CEADMP c1ncc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000411287880 534540808 /nfs/dbraw/zinc/54/08/08/534540808.db2.gz ZPXOPINIZJSULE-ZDUSSCGKSA-N 2 1 265.426 2.103 20 0 CEADMP c1ncc(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000411287880 534540809 /nfs/dbraw/zinc/54/08/09/534540809.db2.gz ZPXOPINIZJSULE-ZDUSSCGKSA-N 2 1 265.426 2.103 20 0 CEADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C(C)C)CC1 ZINC000052422537 521688906 /nfs/dbraw/zinc/68/89/06/521688906.db2.gz RLAUHAQZMLVWRT-UHFFFAOYSA-N 2 1 275.440 2.322 20 0 CEADMP COC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC000363697264 522741116 /nfs/dbraw/zinc/74/11/16/522741116.db2.gz SXQFHCACSADWHA-ZFWWWQNUSA-N 2 1 277.412 2.240 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2ccncn2)C1 ZINC000363458758 523848642 /nfs/dbraw/zinc/84/86/42/523848642.db2.gz AXSDIOUSCWFKBL-CABCVRRESA-N 2 1 274.412 2.140 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2ccncn2)C1 ZINC000363458758 523848648 /nfs/dbraw/zinc/84/86/48/523848648.db2.gz AXSDIOUSCWFKBL-CABCVRRESA-N 2 1 274.412 2.140 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000363458758 523848652 /nfs/dbraw/zinc/84/86/52/523848652.db2.gz AXSDIOUSCWFKBL-CABCVRRESA-N 2 1 274.412 2.140 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000363458758 523848656 /nfs/dbraw/zinc/84/86/56/523848656.db2.gz AXSDIOUSCWFKBL-CABCVRRESA-N 2 1 274.412 2.140 20 0 CEADMP Cc1cc(N[C@@H](CC(C)C)C[NH+](C)C)nc(C)[nH+]1 ZINC000049558075 525292952 /nfs/dbraw/zinc/29/29/52/525292952.db2.gz LHTKTYWGBPEUMM-ZDUSSCGKSA-N 2 1 250.390 2.482 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC[N@@H+]1C ZINC000156590755 525448530 /nfs/dbraw/zinc/44/85/30/525448530.db2.gz CTAGHJMKELVVFL-QMIVOQANSA-N 2 1 266.429 2.262 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC[N@H+]1C ZINC000156590755 525448542 /nfs/dbraw/zinc/44/85/42/525448542.db2.gz CTAGHJMKELVVFL-QMIVOQANSA-N 2 1 266.429 2.262 20 0 CEADMP OC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000364941198 527599048 /nfs/dbraw/zinc/59/90/48/527599048.db2.gz LIZBXFWHVCWXKT-XSWJXKHESA-N 2 1 286.419 2.424 20 0 CEADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@H](C)C(=O)OCC ZINC000411651806 528072680 /nfs/dbraw/zinc/07/26/80/528072680.db2.gz UAPMSFBPAHMTHQ-CYBMUJFWSA-N 2 1 281.400 2.245 20 0 CEADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@H](C)C(=O)OCC ZINC000411651806 528072687 /nfs/dbraw/zinc/07/26/87/528072687.db2.gz UAPMSFBPAHMTHQ-CYBMUJFWSA-N 2 1 281.400 2.245 20 0 CEADMP CC[N@@H+](CCC1CC1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000355058069 528422590 /nfs/dbraw/zinc/42/25/90/528422590.db2.gz GGEOFFIOOXQYJH-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000357383573 528927055 /nfs/dbraw/zinc/92/70/55/528927055.db2.gz DALXIUCKKQFLIT-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC([N@H+](C)CCc2cncs2)CC1 ZINC000411226235 528991546 /nfs/dbraw/zinc/99/15/46/528991546.db2.gz MZLIQJFPLIDGBM-UHFFFAOYSA-N 2 1 267.442 2.490 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2cncs2)CC1 ZINC000411226235 528991547 /nfs/dbraw/zinc/99/15/47/528991547.db2.gz MZLIQJFPLIDGBM-UHFFFAOYSA-N 2 1 267.442 2.490 20 0 CEADMP CCOC[C@H]1CC[NH+](CCC[N@@H+]2CC[C@H](COCC)C2)C1 ZINC000176345663 529029945 /nfs/dbraw/zinc/02/99/45/529029945.db2.gz QLHUGTFDLXXQOI-IRXDYDNUSA-N 2 1 298.471 2.093 20 0 CEADMP CCCCc1noc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000357085081 529055950 /nfs/dbraw/zinc/05/59/50/529055950.db2.gz QGZKQWLNGZPHOD-CQSZACIVSA-N 2 1 292.427 2.234 20 0 CEADMP C[C@H](C[N@H+](C)C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000727586506 574453197 /nfs/dbraw/zinc/45/31/97/574453197.db2.gz SHZFUPFOHOLKIR-WBVHZDCISA-N 2 1 276.424 2.179 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000727586506 574453198 /nfs/dbraw/zinc/45/31/98/574453198.db2.gz SHZFUPFOHOLKIR-WBVHZDCISA-N 2 1 276.424 2.179 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)CCCC[NH+](C)C ZINC000729281927 574484234 /nfs/dbraw/zinc/48/42/34/574484234.db2.gz HNVXWZCAGNOCBD-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000732412298 574621278 /nfs/dbraw/zinc/62/12/78/574621278.db2.gz GQGVZADBTWEVMJ-MRXNPFEDSA-N 2 1 280.456 2.489 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C[C@@H](C)CC2=O)CC1 ZINC000738067337 574851047 /nfs/dbraw/zinc/85/10/47/574851047.db2.gz LSDBHWZRJABDFO-HNNXBMFYSA-N 2 1 295.471 2.256 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2(O)CCCCC2)C1 ZINC000747531776 575171930 /nfs/dbraw/zinc/17/19/30/575171930.db2.gz OPPXEDIWRIUWNZ-MRXNPFEDSA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2(O)CCCCC2)C1 ZINC000747531776 575171931 /nfs/dbraw/zinc/17/19/31/575171931.db2.gz OPPXEDIWRIUWNZ-MRXNPFEDSA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2(O)CCCCC2)C1 ZINC000747531776 575171932 /nfs/dbraw/zinc/17/19/32/575171932.db2.gz OPPXEDIWRIUWNZ-MRXNPFEDSA-N 2 1 280.456 2.345 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC000960682872 614259340 /nfs/dbraw/zinc/25/93/40/614259340.db2.gz MNEGOFQBDMSKEZ-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC000960682872 614259342 /nfs/dbraw/zinc/25/93/42/614259342.db2.gz MNEGOFQBDMSKEZ-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC000960682872 614259345 /nfs/dbraw/zinc/25/93/45/614259345.db2.gz MNEGOFQBDMSKEZ-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000960629443 614266680 /nfs/dbraw/zinc/26/66/80/614266680.db2.gz RDALICONYKQFEJ-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000960629443 614266682 /nfs/dbraw/zinc/26/66/82/614266682.db2.gz RDALICONYKQFEJ-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000960629443 614266683 /nfs/dbraw/zinc/26/66/83/614266683.db2.gz RDALICONYKQFEJ-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940843183 614375268 /nfs/dbraw/zinc/37/52/68/614375268.db2.gz YUJMYANFDKAIAW-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940843183 614375269 /nfs/dbraw/zinc/37/52/69/614375269.db2.gz YUJMYANFDKAIAW-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940843183 614375271 /nfs/dbraw/zinc/37/52/71/614375271.db2.gz YUJMYANFDKAIAW-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000949796618 614553126 /nfs/dbraw/zinc/55/31/26/614553126.db2.gz LFKGUMPPNBIHFM-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775633 614655394 /nfs/dbraw/zinc/65/53/94/614655394.db2.gz NNLASNLTXRFHFQ-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000948775633 614655396 /nfs/dbraw/zinc/65/53/96/614655396.db2.gz NNLASNLTXRFHFQ-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000948775633 614655399 /nfs/dbraw/zinc/65/53/99/614655399.db2.gz NNLASNLTXRFHFQ-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948388725 614656242 /nfs/dbraw/zinc/65/62/42/614656242.db2.gz JNHNTXQOLHDORW-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948388725 614656246 /nfs/dbraw/zinc/65/62/46/614656246.db2.gz JNHNTXQOLHDORW-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948388725 614656249 /nfs/dbraw/zinc/65/62/49/614656249.db2.gz JNHNTXQOLHDORW-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000950371195 614964544 /nfs/dbraw/zinc/96/45/44/614964544.db2.gz QFIMKKKADYVJNP-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000968782091 614979870 /nfs/dbraw/zinc/97/98/70/614979870.db2.gz SJWWYTUAZJLQQZ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000968782091 614979871 /nfs/dbraw/zinc/97/98/71/614979871.db2.gz SJWWYTUAZJLQQZ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000968782091 614979874 /nfs/dbraw/zinc/97/98/74/614979874.db2.gz SJWWYTUAZJLQQZ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP COc1cccc([C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])[NH+](C)C)c1 ZINC000089147115 625286345 /nfs/dbraw/zinc/28/63/45/625286345.db2.gz SHKLYSGNFFIPOY-OIISXLGYSA-N 2 1 291.439 2.015 20 0 CEADMP CC[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001024017880 625295577 /nfs/dbraw/zinc/29/55/77/625295577.db2.gz INGNHXBUDSJUBV-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC ZINC001024468617 625569241 /nfs/dbraw/zinc/56/92/41/625569241.db2.gz LMRFLWAIIQLLIN-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC ZINC001024468617 625569248 /nfs/dbraw/zinc/56/92/48/625569248.db2.gz LMRFLWAIIQLLIN-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC ZINC001024468617 625569255 /nfs/dbraw/zinc/56/92/55/625569255.db2.gz LMRFLWAIIQLLIN-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP OCCCCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000175774195 622848308 /nfs/dbraw/zinc/84/83/08/622848308.db2.gz YKYKZAWKLGJXFL-MRXNPFEDSA-N 2 1 268.445 2.489 20 0 CEADMP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261657057 623422731 /nfs/dbraw/zinc/42/27/31/623422731.db2.gz KECBOTVFZSXBSI-QWHCGFSZSA-N 2 1 295.377 2.005 20 0 CEADMP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261657057 623422734 /nfs/dbraw/zinc/42/27/34/623422734.db2.gz KECBOTVFZSXBSI-QWHCGFSZSA-N 2 1 295.377 2.005 20 0 CEADMP COc1ccccc1OCC[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261901708 623580207 /nfs/dbraw/zinc/58/02/07/623580207.db2.gz WDIHRKUODRSJHY-INIZCTEOSA-N 2 1 278.396 2.005 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261901708 623580211 /nfs/dbraw/zinc/58/02/11/623580211.db2.gz WDIHRKUODRSJHY-INIZCTEOSA-N 2 1 278.396 2.005 20 0 CEADMP C[C@H]1C[C@@H](N(C)C(=O)c2cc3c[nH]ccc-3n2)CC[N@H+]1C ZINC000933438634 623743416 /nfs/dbraw/zinc/74/34/16/623743416.db2.gz BGNOXOILCQPTGI-AAEUAGOBSA-N 2 1 286.379 2.118 20 0 CEADMP Cc1cc(N)nc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[nH+]1 ZINC000891905292 624086640 /nfs/dbraw/zinc/08/66/40/624086640.db2.gz PJOJGMMZOBWBBE-ZDUSSCGKSA-N 2 1 289.358 2.221 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(c2nc(N)cc(C)[nH+]2)CC1 ZINC000891906288 624087126 /nfs/dbraw/zinc/08/71/26/624087126.db2.gz WKPKCRRECRWXPU-UHFFFAOYSA-N 2 1 291.443 2.316 20 0 CEADMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000891933691 624114659 /nfs/dbraw/zinc/11/46/59/624114659.db2.gz KZWAXBDEMQJFAM-UHFFFAOYSA-N 2 1 266.385 2.452 20 0 CEADMP COC(=O)C[C@H]([NH2+]CCCn1cc[nH+]c1C)C(C)(C)C ZINC000934031791 624177103 /nfs/dbraw/zinc/17/71/03/624177103.db2.gz QZWWTXKTMAKZRX-ZDUSSCGKSA-N 2 1 281.400 2.149 20 0 CEADMP CC[C@H]1COC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926336275 624257707 /nfs/dbraw/zinc/25/77/07/624257707.db2.gz DVHLBIXAJBHFMZ-VXGQWTEUSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892034280 624265093 /nfs/dbraw/zinc/26/50/93/624265093.db2.gz LBWFAYFCWHGZDR-HNNXBMFYSA-N 2 1 274.408 2.395 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892034280 624265096 /nfs/dbraw/zinc/26/50/96/624265096.db2.gz LBWFAYFCWHGZDR-HNNXBMFYSA-N 2 1 274.408 2.395 20 0 CEADMP Cc1ccc([C@@H]2COCC[N@H+]2CC2CC[NH+](C)CC2)o1 ZINC000892058368 624285003 /nfs/dbraw/zinc/28/50/03/624285003.db2.gz VEXPKJAQBUADSB-HNNXBMFYSA-N 2 1 278.396 2.303 20 0 CEADMP Cc1ccc([C@@H]2COCC[N@@H+]2CC2CC[NH+](C)CC2)o1 ZINC000892058368 624285006 /nfs/dbraw/zinc/28/50/06/624285006.db2.gz VEXPKJAQBUADSB-HNNXBMFYSA-N 2 1 278.396 2.303 20 0 CEADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@@H]1C(C)C ZINC000737995719 625030400 /nfs/dbraw/zinc/03/04/00/625030400.db2.gz RIQCNQGXWOEGFX-MRXNPFEDSA-N 2 1 297.487 2.297 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@@H]1C(C)C ZINC000737995719 625030406 /nfs/dbraw/zinc/03/04/06/625030406.db2.gz RIQCNQGXWOEGFX-MRXNPFEDSA-N 2 1 297.487 2.297 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000737995719 625030412 /nfs/dbraw/zinc/03/04/12/625030412.db2.gz RIQCNQGXWOEGFX-MRXNPFEDSA-N 2 1 297.487 2.297 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000737995719 625030416 /nfs/dbraw/zinc/03/04/16/625030416.db2.gz RIQCNQGXWOEGFX-MRXNPFEDSA-N 2 1 297.487 2.297 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000926559332 625076262 /nfs/dbraw/zinc/07/62/62/625076262.db2.gz MPAYIOMBWHCXQZ-CQSZACIVSA-N 2 1 261.413 2.477 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC12CCSCC2 ZINC000926602811 625243579 /nfs/dbraw/zinc/24/35/79/625243579.db2.gz XOOLCXRSHITXQD-MBOZISHXSA-N 2 1 280.481 2.450 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CCO1 ZINC000926605902 625258619 /nfs/dbraw/zinc/25/86/19/625258619.db2.gz ZEPLODQLNVIRNT-ZCRFILTFSA-N 2 1 296.455 2.175 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000935626736 625863331 /nfs/dbraw/zinc/86/33/31/625863331.db2.gz ISQOIWWNXKDAKA-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CNc1ccccc1CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000902067622 634462181 /nfs/dbraw/zinc/46/21/81/634462181.db2.gz ZHHWNQBCILAQAZ-HOTGVXAUSA-N 2 1 259.397 2.445 20 0 CEADMP CC[NH+](CC)CCCC1CC[NH+](CN2CCOC2=O)CC1 ZINC000902216311 634527679 /nfs/dbraw/zinc/52/76/79/634527679.db2.gz KQNLCOBZZAFAIM-UHFFFAOYSA-N 2 1 297.443 2.230 20 0 CEADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000820811302 634536743 /nfs/dbraw/zinc/53/67/43/634536743.db2.gz OMXXKMODBGXGRJ-NXCDMZCRSA-N 2 1 286.419 2.467 20 0 CEADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000820811302 634536748 /nfs/dbraw/zinc/53/67/48/634536748.db2.gz OMXXKMODBGXGRJ-NXCDMZCRSA-N 2 1 286.419 2.467 20 0 CEADMP CC[C@@H](C)[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000820810424 634537316 /nfs/dbraw/zinc/53/73/16/634537316.db2.gz WPPUABLAURXWOF-AKBNIOSXSA-N 2 1 298.471 2.015 20 0 CEADMP Cc1cc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[nH]n1 ZINC000820822372 634541093 /nfs/dbraw/zinc/54/10/93/634541093.db2.gz IYUVINYJBYFRDA-WDBGVOIJSA-N 2 1 288.439 2.397 20 0 CEADMP Cc1cc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)n[nH]1 ZINC000820822372 634541102 /nfs/dbraw/zinc/54/11/02/634541102.db2.gz IYUVINYJBYFRDA-WDBGVOIJSA-N 2 1 288.439 2.397 20 0 CEADMP Cc1cc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)n[nH]1 ZINC000820822372 634541109 /nfs/dbraw/zinc/54/11/09/634541109.db2.gz IYUVINYJBYFRDA-WDBGVOIJSA-N 2 1 288.439 2.397 20 0 CEADMP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000892576918 627284514 /nfs/dbraw/zinc/28/45/14/627284514.db2.gz LGZHXDWKJYWYIB-GJZGRUSLSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000892576918 627284518 /nfs/dbraw/zinc/28/45/18/627284518.db2.gz LGZHXDWKJYWYIB-GJZGRUSLSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@]1(Br)C[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000892608989 627307156 /nfs/dbraw/zinc/30/71/56/627307156.db2.gz SZOWAGYHUSXCAV-NDBYEHHHSA-N 2 1 287.245 2.376 20 0 CEADMP CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001017904857 627362697 /nfs/dbraw/zinc/36/26/97/627362697.db2.gz FVBPRSNTZKHQPC-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C)(O)CC1 ZINC000892669978 627381215 /nfs/dbraw/zinc/38/12/15/627381215.db2.gz YTQKNBDXBQHALL-FXQLRMTLSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C)(O)CC1 ZINC000892669978 627381220 /nfs/dbraw/zinc/38/12/20/627381220.db2.gz YTQKNBDXBQHALL-FXQLRMTLSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@H](COCC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892683257 627644508 /nfs/dbraw/zinc/64/45/08/627644508.db2.gz ILQUXMDDTNKCOB-WAAKLRNESA-N 2 1 280.334 2.169 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699883 627710460 /nfs/dbraw/zinc/71/04/60/627710460.db2.gz WRXQYYYANPMELX-ZIAGYGMSSA-N 2 1 278.396 2.133 20 0 CEADMP CC[C@H]1COC[C@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000924601488 627728397 /nfs/dbraw/zinc/72/83/97/627728397.db2.gz GDPPVCHIRCJFBB-MAUKXSAKSA-N 2 1 288.435 2.449 20 0 CEADMP CC[C@H]1COC[C@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000924601488 627728400 /nfs/dbraw/zinc/72/84/00/627728400.db2.gz GDPPVCHIRCJFBB-MAUKXSAKSA-N 2 1 288.435 2.449 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000892746339 627748388 /nfs/dbraw/zinc/74/83/88/627748388.db2.gz YCBQHTVNGAQQHO-LBPRGKRZSA-N 2 1 278.425 2.217 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000892746339 627748391 /nfs/dbraw/zinc/74/83/91/627748391.db2.gz YCBQHTVNGAQQHO-LBPRGKRZSA-N 2 1 278.425 2.217 20 0 CEADMP CN(C)c1cc[nH+]c(CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000926881520 627903667 /nfs/dbraw/zinc/90/36/67/627903667.db2.gz BSGDBLXTGOMMGW-SJORKVTESA-N 2 1 288.439 2.254 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925508975 628026790 /nfs/dbraw/zinc/02/67/90/628026790.db2.gz JTCPOTSRVZWDHQ-IMJJTQAJSA-N 2 1 261.413 2.149 20 0 CEADMP CC(C)n1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925509055 628028449 /nfs/dbraw/zinc/02/84/49/628028449.db2.gz LPWKOJPWJCZHAN-GXTWGEPZSA-N 2 1 264.417 2.460 20 0 CEADMP c1cc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc2c1OCO2 ZINC000925510872 628040033 /nfs/dbraw/zinc/04/00/33/628040033.db2.gz AUOIJPBXFOTSKS-MRXNPFEDSA-N 2 1 288.391 2.222 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902389938 634630526 /nfs/dbraw/zinc/63/05/26/634630526.db2.gz COESZVSJEHFZME-AWEZNQCLSA-N 2 1 267.461 2.229 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@H]1OC ZINC000893200465 628123255 /nfs/dbraw/zinc/12/32/55/628123255.db2.gz PLUBCKJLKZVBOP-MWDXBVQZSA-N 2 1 298.471 2.136 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902390340 634630841 /nfs/dbraw/zinc/63/08/41/634630841.db2.gz KMAXKSNCMKQCDT-CABCVRRESA-N 3 1 267.461 2.086 20 0 CEADMP Cc1ccc2c(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)cc(=O)oc2c1 ZINC000228347208 628162453 /nfs/dbraw/zinc/16/24/53/628162453.db2.gz LUECCQCNWKVZJB-TZMCWYRMSA-N 2 1 286.375 2.413 20 0 CEADMP Cc1ccc2c(C[N@@H+]3CC[C@@H]([NH3+])C[C@H]3C)cc(=O)oc2c1 ZINC000228347208 628162457 /nfs/dbraw/zinc/16/24/57/628162457.db2.gz LUECCQCNWKVZJB-TZMCWYRMSA-N 2 1 286.375 2.413 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000925558732 628224282 /nfs/dbraw/zinc/22/42/82/628224282.db2.gz QUDJBILBXOIDCI-QXSJWSMHSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925574030 628249831 /nfs/dbraw/zinc/24/98/31/628249831.db2.gz RCSQWEUWPUFYSW-BYCMXARLSA-N 2 1 280.387 2.368 20 0 CEADMP Clc1cccc(OCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000925587379 628266222 /nfs/dbraw/zinc/26/62/22/628266222.db2.gz YLNPCEXWISNXQP-URLAMEQQSA-N 2 1 292.810 2.305 20 0 CEADMP CC1(C)C[C@@H]([NH2+][C@H]2CCCc3c[nH]nc32)C[C@@H]([NH3+])C1 ZINC000925592820 628273403 /nfs/dbraw/zinc/27/34/03/628273403.db2.gz HXXZAXVBUOVAEL-AGIUHOORSA-N 2 1 262.401 2.283 20 0 CEADMP CCOc1cccc(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000925615487 628299556 /nfs/dbraw/zinc/29/95/56/628299556.db2.gz HRZXAYHQPAWVGX-BBRMVZONSA-N 2 1 262.397 2.358 20 0 CEADMP O[C@@]1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCc2ccccc21 ZINC000925621646 628313920 /nfs/dbraw/zinc/31/39/20/628313920.db2.gz JCQKIPDEYKBFBW-FUHWJXTLSA-N 2 1 286.419 2.085 20 0 CEADMP C[C@@H]1NCCC[C@H]1[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000925624943 628318760 /nfs/dbraw/zinc/31/87/60/628318760.db2.gz DXPMVFMZZACKLD-SUMWQHHRSA-N 2 1 284.407 2.317 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)Nc1cc(NC)[nH+]cn1 ZINC000123085998 628343355 /nfs/dbraw/zinc/34/33/55/628343355.db2.gz RZWPXQUFJSBQQD-LBPRGKRZSA-N 2 1 265.405 2.441 20 0 CEADMP C[C@H](CCCO)C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925679301 628473957 /nfs/dbraw/zinc/47/39/57/628473957.db2.gz IJKBZOJNOROINW-VNHYZAJKSA-N 2 1 250.386 2.073 20 0 CEADMP CN(C)[C@@H]1[C@H]2C[N@@H+](CCCCC3CCOCC3)C[C@H]21 ZINC000931277981 628496312 /nfs/dbraw/zinc/49/63/12/628496312.db2.gz UVNHQSNDFTVHDZ-ZSHCYNCHSA-N 2 1 266.429 2.075 20 0 CEADMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCCC3CCOCC3)C[C@H]21 ZINC000931277981 628496314 /nfs/dbraw/zinc/49/63/14/628496314.db2.gz UVNHQSNDFTVHDZ-ZSHCYNCHSA-N 2 1 266.429 2.075 20 0 CEADMP COc1cccnc1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925688110 628497226 /nfs/dbraw/zinc/49/72/26/628497226.db2.gz BQGDHAITSYQYBC-RYUDHWBXSA-N 2 1 263.385 2.086 20 0 CEADMP COc1cccnc1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925688108 628497342 /nfs/dbraw/zinc/49/73/42/628497342.db2.gz BQGDHAITSYQYBC-NWDGAFQWSA-N 2 1 263.385 2.086 20 0 CEADMP c1cncc([C@@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)CCO2)c1 ZINC000925688168 628497473 /nfs/dbraw/zinc/49/74/73/628497473.db2.gz DOENLYCKWAHAEE-OWCLPIDISA-N 2 1 287.407 2.176 20 0 CEADMP CN(CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC000931306558 628511430 /nfs/dbraw/zinc/51/14/30/628511430.db2.gz AWSPZXAUOGEFLK-ROUUACIJSA-N 2 1 287.451 2.396 20 0 CEADMP [NH3+]C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000902414307 634663072 /nfs/dbraw/zinc/66/30/72/634663072.db2.gz WHLJSDPZDGAIIG-OSYLJGHBSA-N 2 1 285.435 2.263 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473426 634665589 /nfs/dbraw/zinc/66/55/89/634665589.db2.gz YBISOMJAZHGNPJ-RXABAKJHSA-N 2 1 299.462 2.380 20 0 CEADMP COc1ccc(F)c(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925721914 628589692 /nfs/dbraw/zinc/58/96/92/628589692.db2.gz RLWWWEZSCDWVER-KBPBESRZSA-N 2 1 264.344 2.194 20 0 CEADMP COc1ccc(NC(=[NH2+])NCC[N@@H+](C)C(C)C)cc1Cl ZINC000104191713 628733227 /nfs/dbraw/zinc/73/32/27/628733227.db2.gz YIOXNADFRNTHEX-UHFFFAOYSA-N 2 1 298.818 2.415 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[N@@H+]1CCC(C)(C)C1 ZINC000902457947 634678983 /nfs/dbraw/zinc/67/89/83/634678983.db2.gz VUVKJUYTYZATOK-ZDUSSCGKSA-N 2 1 290.455 2.231 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[N@H+]1CCC(C)(C)C1 ZINC000902457947 634678988 /nfs/dbraw/zinc/67/89/88/634678988.db2.gz VUVKJUYTYZATOK-ZDUSSCGKSA-N 2 1 290.455 2.231 20 0 CEADMP C[NH+](C)C1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000053932655 628764204 /nfs/dbraw/zinc/76/42/04/628764204.db2.gz SISHQWBAJKAHET-INIZCTEOSA-N 2 1 262.397 2.136 20 0 CEADMP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)C2 ZINC000902463680 634683135 /nfs/dbraw/zinc/68/31/35/634683135.db2.gz AUGQNDGYUMFFMY-OCVGTWLNSA-N 2 1 272.392 2.035 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)[C@@H]1CCC[NH2+]1 ZINC000925771155 628770123 /nfs/dbraw/zinc/77/01/23/628770123.db2.gz ABZQXIHGSFCXOK-MCIONIFRSA-N 2 1 252.402 2.066 20 0 CEADMP C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902466957 634684609 /nfs/dbraw/zinc/68/46/09/634684609.db2.gz JSVZFTLQJUXZSE-GPFWEFOESA-N 2 1 299.462 2.380 20 0 CEADMP COc1ccccc1C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000925781880 628809206 /nfs/dbraw/zinc/80/92/06/628809206.db2.gz HEWZLSOLSBNMEM-FVQBIDKESA-N 2 1 276.424 2.460 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC000902471345 634687675 /nfs/dbraw/zinc/68/76/75/634687675.db2.gz NRSRQIXCMPPHFL-XJNFMUPTSA-N 2 1 272.392 2.035 20 0 CEADMP Cn1cnc2cc(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])ccc21 ZINC000925813983 628866764 /nfs/dbraw/zinc/86/67/64/628866764.db2.gz WKIYOVTYLXVSLI-KGLIPLIRSA-N 2 1 272.396 2.323 20 0 CEADMP Cc1cc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)nn1C ZINC000925831110 628924605 /nfs/dbraw/zinc/92/46/05/628924605.db2.gz CFNBRYQQZNVQBH-AEFFLSMTSA-N 2 1 298.434 2.354 20 0 CEADMP Cc1nc2c(cccc2CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)o1 ZINC000925840785 628944097 /nfs/dbraw/zinc/94/40/97/628944097.db2.gz XEMAOVQMOGPIGW-BXUZGUMPSA-N 2 1 273.380 2.266 20 0 CEADMP Cc1ccncc1[C@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925846979 628950453 /nfs/dbraw/zinc/95/04/53/628950453.db2.gz ZCJQJNKQSHAJOG-INIZCTEOSA-N 2 1 290.455 2.116 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCS1 ZINC000925861798 628961800 /nfs/dbraw/zinc/96/18/00/628961800.db2.gz SMTBECMRGYINNP-RYPNDVFKSA-N 2 1 284.469 2.017 20 0 CEADMP COCC[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000447344430 628990400 /nfs/dbraw/zinc/99/04/00/628990400.db2.gz YNFRMKRJKVBLDJ-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCOC(=O)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1 ZINC000893998812 629081704 /nfs/dbraw/zinc/08/17/04/629081704.db2.gz ASUAYZIALMHSIR-GOOCMWNKSA-N 2 1 294.439 2.325 20 0 CEADMP Cc1coc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000894093420 629120835 /nfs/dbraw/zinc/12/08/35/629120835.db2.gz FIKIGQSUMYVTJX-NUEKZKHPSA-N 2 1 278.396 2.272 20 0 CEADMP Cc1coc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000894093420 629120836 /nfs/dbraw/zinc/12/08/36/629120836.db2.gz FIKIGQSUMYVTJX-NUEKZKHPSA-N 2 1 278.396 2.272 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3COC[C@@H]3C3CC3)CC[NH2+]2)cc1 ZINC000902516547 634710094 /nfs/dbraw/zinc/71/00/94/634710094.db2.gz DJKBQLMIPBOQDE-BDXSIMOUSA-N 2 1 286.419 2.494 20 0 CEADMP C[C@H]([NH2+]CCOC1CCSCC1)c1c[nH+]ccc1N ZINC000902517373 634711430 /nfs/dbraw/zinc/71/14/30/634711430.db2.gz KXOJZTRPLOHVHI-NSHDSACASA-N 2 1 281.425 2.057 20 0 CEADMP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2c[nH]cn2)C1 ZINC000894180397 629193914 /nfs/dbraw/zinc/19/39/14/629193914.db2.gz GCSSFIQLLCQBCY-KBPBESRZSA-N 2 1 264.417 2.257 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCOC(F)(F)F)CC[C@H]21 ZINC000878197187 629223828 /nfs/dbraw/zinc/22/38/28/629223828.db2.gz KQENWTIBSSMSKF-VXGBXAGGSA-N 2 1 280.334 2.329 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCOC(F)(F)F)CC[C@H]21 ZINC000878197187 629223830 /nfs/dbraw/zinc/22/38/30/629223830.db2.gz KQENWTIBSSMSKF-VXGBXAGGSA-N 2 1 280.334 2.329 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCOC(F)(F)F)CC[C@H]21 ZINC000878197187 629223833 /nfs/dbraw/zinc/22/38/33/629223833.db2.gz KQENWTIBSSMSKF-VXGBXAGGSA-N 2 1 280.334 2.329 20 0 CEADMP CC(C)n1nccc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261795871 629240640 /nfs/dbraw/zinc/24/06/40/629240640.db2.gz GNFQEDHBRXNKLR-QWHCGFSZSA-N 2 1 250.390 2.023 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261795871 629240643 /nfs/dbraw/zinc/24/06/43/629240643.db2.gz GNFQEDHBRXNKLR-QWHCGFSZSA-N 2 1 250.390 2.023 20 0 CEADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)C(C)C ZINC000924908032 629243187 /nfs/dbraw/zinc/24/31/87/629243187.db2.gz FLKAEELLVWEZAS-SJORKVTESA-N 2 1 292.471 2.451 20 0 CEADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)C(C)C ZINC000924908032 629243191 /nfs/dbraw/zinc/24/31/91/629243191.db2.gz FLKAEELLVWEZAS-SJORKVTESA-N 2 1 292.471 2.451 20 0 CEADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261809212 629251090 /nfs/dbraw/zinc/25/10/90/629251090.db2.gz ZNNOCONXTSASBA-TZMCWYRMSA-N 2 1 295.377 2.005 20 0 CEADMP CN(C)c1cccc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](C)C3)c1 ZINC000924945966 629284540 /nfs/dbraw/zinc/28/45/40/629284540.db2.gz MSXRSNKMZAFYLS-FKEKPDDDSA-N 2 1 273.424 2.182 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1Cc2ccccc21 ZINC000924948189 629286111 /nfs/dbraw/zinc/28/61/11/629286111.db2.gz GEJNMKYTYHVBGX-AWVCJSPBSA-N 2 1 256.393 2.256 20 0 CEADMP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000925009486 629349350 /nfs/dbraw/zinc/34/93/50/629349350.db2.gz HNEDZYWEQNKZQH-DJIMGWMZSA-N 2 1 290.455 2.063 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3nccn3C3CC3)C2)CC1 ZINC000894480429 629485297 /nfs/dbraw/zinc/48/52/97/629485297.db2.gz ZWXDKRKVAMCESH-OAHLLOKOSA-N 2 1 288.439 2.382 20 0 CEADMP Cn1cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C2CC2)n1 ZINC000894622032 629562971 /nfs/dbraw/zinc/56/29/71/629562971.db2.gz FEXIHVRFLLVNMD-KRWDZBQOSA-N 2 1 288.439 2.215 20 0 CEADMP OCc1c[nH+]ccc1NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000895018002 629803939 /nfs/dbraw/zinc/80/39/39/629803939.db2.gz JRVJGQHEDMFNBL-MRXNPFEDSA-N 2 1 289.423 2.205 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(CO)CCCCC2)s1 ZINC000796314742 629840576 /nfs/dbraw/zinc/84/05/76/629840576.db2.gz BXYVTCBTSHDJAZ-UHFFFAOYSA-N 2 1 297.468 2.237 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@]1(O)CCc2ccccc21 ZINC000895090881 629882386 /nfs/dbraw/zinc/88/23/86/629882386.db2.gz QINSUXGXNFEEMV-GOSISDBHSA-N 2 1 288.435 2.094 20 0 CEADMP CCNC(NCCCC[N@H+]1CCC[C@@H](C)C1)=[NH+]CC ZINC000066243223 629922777 /nfs/dbraw/zinc/92/27/77/629922777.db2.gz VLUBOVACFZXUFH-CQSZACIVSA-N 2 1 268.449 2.074 20 0 CEADMP CCCn1nc(C)c(C[NH2+]CC[C@H](C)[NH+](C)C)c1C ZINC000895298121 630086586 /nfs/dbraw/zinc/08/65/86/630086586.db2.gz QQZWLLGHBNZYPE-LBPRGKRZSA-N 2 1 266.433 2.340 20 0 CEADMP CC1=NO[C@@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000895306730 630093360 /nfs/dbraw/zinc/09/33/60/630093360.db2.gz ILNCESMMSVOCHT-CYBMUJFWSA-N 2 1 253.390 2.004 20 0 CEADMP Cc1ccc([C@@H](O)[C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000797065356 630121165 /nfs/dbraw/zinc/12/11/65/630121165.db2.gz WMNOPQDCODMPJG-BBRMVZONSA-N 2 1 262.397 2.101 20 0 CEADMP Cc1[nH+]cc(CN2CCCC[C@H]2[C@@H](C)C[NH+](C)C)n1C ZINC000895379525 630150661 /nfs/dbraw/zinc/15/06/61/630150661.db2.gz LRPLWJIQYMAHHY-BBRMVZONSA-N 2 1 278.444 2.281 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC000895388781 630158622 /nfs/dbraw/zinc/15/86/22/630158622.db2.gz PRWFFAASAKEQDG-UHFFFAOYSA-N 2 1 274.408 2.395 20 0 CEADMP COCC(C)(C)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895555736 630247592 /nfs/dbraw/zinc/24/75/92/630247592.db2.gz BWZUATAACITECA-CQSZACIVSA-N 2 1 277.412 2.265 20 0 CEADMP C[C@H]1[C@@H](Nc2ccncc2C(F)(F)F)CC[N@H+]1C ZINC000895734452 630325017 /nfs/dbraw/zinc/32/50/17/630325017.db2.gz MUHRBXAQBDTOGO-WPRPVWTQSA-N 2 1 259.275 2.027 20 0 CEADMP C[C@H]1[C@@H](Nc2cc[nH+]cc2C(F)(F)F)CC[N@@H+]1C ZINC000895734452 630325018 /nfs/dbraw/zinc/32/50/18/630325018.db2.gz MUHRBXAQBDTOGO-WPRPVWTQSA-N 2 1 259.275 2.027 20 0 CEADMP C[C@H]1[C@@H](Nc2cc[nH+]cc2C(F)(F)F)CC[N@H+]1C ZINC000895734452 630325022 /nfs/dbraw/zinc/32/50/22/630325022.db2.gz MUHRBXAQBDTOGO-WPRPVWTQSA-N 2 1 259.275 2.027 20 0 CEADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C1 ZINC000902757546 634812722 /nfs/dbraw/zinc/81/27/22/634812722.db2.gz UVEKBCPFQCOAIV-RBSFLKMASA-N 2 1 254.418 2.264 20 0 CEADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C1 ZINC000902757547 634813009 /nfs/dbraw/zinc/81/30/09/634813009.db2.gz UVEKBCPFQCOAIV-RRFJBIMHSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925137769 630754358 /nfs/dbraw/zinc/75/43/58/630754358.db2.gz ALXMMGFQELOXBD-DZKIICNBSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925137769 630754360 /nfs/dbraw/zinc/75/43/60/630754360.db2.gz ALXMMGFQELOXBD-DZKIICNBSA-N 2 1 299.422 2.401 20 0 CEADMP Cc1cnc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000798957001 630956334 /nfs/dbraw/zinc/95/63/34/630956334.db2.gz HJVSQUVSZLETBB-UHFFFAOYSA-N 2 1 274.412 2.093 20 0 CEADMP Cc1cnc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)nc1 ZINC000799178100 630991531 /nfs/dbraw/zinc/99/15/31/630991531.db2.gz KOQYDNREZHRIRQ-UHFFFAOYSA-N 2 1 274.412 2.093 20 0 CEADMP Cc1cnc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)nc1 ZINC000799178100 630991534 /nfs/dbraw/zinc/99/15/34/630991534.db2.gz KOQYDNREZHRIRQ-UHFFFAOYSA-N 2 1 274.412 2.093 20 0 CEADMP CN(CC[N@@H+](C)C[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000904318539 635566768 /nfs/dbraw/zinc/56/67/68/635566768.db2.gz RTAPCLXCVNCKHX-QGZVFWFLSA-N 2 1 275.440 2.444 20 0 CEADMP CC(C)C[N@@H+](C)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000985474350 631099288 /nfs/dbraw/zinc/09/92/88/631099288.db2.gz YOKIYWQBDYYAIN-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000985474350 631099290 /nfs/dbraw/zinc/09/92/90/631099290.db2.gz YOKIYWQBDYYAIN-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000985474350 631099292 /nfs/dbraw/zinc/09/92/92/631099292.db2.gz YOKIYWQBDYYAIN-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)C(C)C)C1 ZINC000808732871 631306052 /nfs/dbraw/zinc/30/60/52/631306052.db2.gz LUFLKJUEOXFDOO-CQSZACIVSA-N 2 1 254.418 2.265 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)C(C)C)C1 ZINC000808732871 631306059 /nfs/dbraw/zinc/30/60/59/631306059.db2.gz LUFLKJUEOXFDOO-CQSZACIVSA-N 2 1 254.418 2.265 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)C(C)C)C1 ZINC000808732871 631306067 /nfs/dbraw/zinc/30/60/67/631306067.db2.gz LUFLKJUEOXFDOO-CQSZACIVSA-N 2 1 254.418 2.265 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)C(C)C)C1 ZINC000808732871 631306076 /nfs/dbraw/zinc/30/60/76/631306076.db2.gz LUFLKJUEOXFDOO-CQSZACIVSA-N 2 1 254.418 2.265 20 0 CEADMP Clc1cncc(Cl)c1C[NH2+]CCn1ccnc1 ZINC000865402124 631776054 /nfs/dbraw/zinc/77/60/54/631776054.db2.gz JLDAVKAVAQSDQR-UHFFFAOYSA-N 2 1 271.151 2.375 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841029607 631812840 /nfs/dbraw/zinc/81/28/40/631812840.db2.gz GJZZBKHULWHSCK-NDBYEHHHSA-N 2 1 274.499 2.473 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@]3(C)Br)C[C@]2(C)C1 ZINC000897620480 631832037 /nfs/dbraw/zinc/83/20/37/631832037.db2.gz PREGFZBJDAYMQC-NDBYEHHHSA-N 2 1 287.245 2.043 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@]3(C)Br)C[C@]2(C)C1 ZINC000897620480 631832041 /nfs/dbraw/zinc/83/20/41/631832041.db2.gz PREGFZBJDAYMQC-NDBYEHHHSA-N 2 1 287.245 2.043 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3C[C@]3(C)Br)C[C@]2(C)C1 ZINC000897620480 631832045 /nfs/dbraw/zinc/83/20/45/631832045.db2.gz PREGFZBJDAYMQC-NDBYEHHHSA-N 2 1 287.245 2.043 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3C[C@]3(C)Br)C[C@]2(C)C1 ZINC000897620480 631832046 /nfs/dbraw/zinc/83/20/46/631832046.db2.gz PREGFZBJDAYMQC-NDBYEHHHSA-N 2 1 287.245 2.043 20 0 CEADMP CC1(C)CC(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000808160335 631925654 /nfs/dbraw/zinc/92/56/54/631925654.db2.gz OPHJXXSOLHTXNL-UHFFFAOYSA-N 2 1 293.455 2.010 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C(=O)CCC3(C)C)C2)CC1 ZINC000808173697 631930958 /nfs/dbraw/zinc/93/09/58/631930958.db2.gz LMPWZWKLLWNHFI-OAHLLOKOSA-N 2 1 293.455 2.009 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(C)cn1 ZINC000808378258 631952862 /nfs/dbraw/zinc/95/28/62/631952862.db2.gz IPXJQTFQTNNJBJ-AWEZNQCLSA-N 2 1 264.417 2.164 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC000898167070 632076900 /nfs/dbraw/zinc/07/69/00/632076900.db2.gz QBQVZLVGKRLGGP-UONOGXRCSA-N 2 1 282.428 2.181 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000809604590 632108936 /nfs/dbraw/zinc/10/89/36/632108936.db2.gz WNZRPSHSBFRHPI-IYXRBSQSSA-N 2 1 299.459 2.362 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CC)CC1 ZINC000989458038 632117175 /nfs/dbraw/zinc/11/71/75/632117175.db2.gz ZFCJCLNGQDLJCG-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](CC)CC1 ZINC000989458038 632117181 /nfs/dbraw/zinc/11/71/81/632117181.db2.gz ZFCJCLNGQDLJCG-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC)CC1 ZINC000989458038 632117186 /nfs/dbraw/zinc/11/71/86/632117186.db2.gz ZFCJCLNGQDLJCG-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CC[C@@](C)([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000809971881 632162576 /nfs/dbraw/zinc/16/25/76/632162576.db2.gz NFWYAPUZSBPCGM-IAGOWNOFSA-N 2 1 276.424 2.357 20 0 CEADMP CC[C@@](C)([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000809971881 632162580 /nfs/dbraw/zinc/16/25/80/632162580.db2.gz NFWYAPUZSBPCGM-IAGOWNOFSA-N 2 1 276.424 2.357 20 0 CEADMP COC(=O)C(C)(C)CC[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307973 632166299 /nfs/dbraw/zinc/16/62/99/632166299.db2.gz KSTFLYHHIZZBQB-UHFFFAOYSA-N 2 1 272.433 2.095 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000810125030 632182874 /nfs/dbraw/zinc/18/28/74/632182874.db2.gz MNDNLRHUYZYKBY-JONQDZQNSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000810125030 632182880 /nfs/dbraw/zinc/18/28/80/632182880.db2.gz MNDNLRHUYZYKBY-JONQDZQNSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000810125030 632182884 /nfs/dbraw/zinc/18/28/84/632182884.db2.gz MNDNLRHUYZYKBY-JONQDZQNSA-N 2 1 295.471 2.096 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H](C)Cc1cccs1)C[NH+](C)C ZINC000926965061 632391513 /nfs/dbraw/zinc/39/15/13/632391513.db2.gz OMBNSMMECNNUOK-STQMWFEESA-N 2 1 270.442 2.235 20 0 CEADMP CC[N@@H+]1CCCC[C@H]1C(=O)OCC[C@@H]1CCCC[NH+]1C ZINC000840236258 632409818 /nfs/dbraw/zinc/40/98/18/632409818.db2.gz SNHVVUMXEFEVDO-GJZGRUSLSA-N 2 1 282.428 2.278 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)OCC[C@@H]1CCCC[NH+]1C ZINC000840236258 632409825 /nfs/dbraw/zinc/40/98/25/632409825.db2.gz SNHVVUMXEFEVDO-GJZGRUSLSA-N 2 1 282.428 2.278 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000840236258 632409828 /nfs/dbraw/zinc/40/98/28/632409828.db2.gz SNHVVUMXEFEVDO-GJZGRUSLSA-N 2 1 282.428 2.278 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000840236258 632409834 /nfs/dbraw/zinc/40/98/34/632409834.db2.gz SNHVVUMXEFEVDO-GJZGRUSLSA-N 2 1 282.428 2.278 20 0 CEADMP C[C@H](NC(=[NH2+])NCCCC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000899265850 632763734 /nfs/dbraw/zinc/76/37/34/632763734.db2.gz KQNLPUXXIZDACI-KGLIPLIRSA-N 2 1 280.460 2.411 20 0 CEADMP Cn1ncc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1Cl ZINC000815113892 632961170 /nfs/dbraw/zinc/96/11/70/632961170.db2.gz BLTVTPZALWVXMJ-UHFFFAOYSA-N 2 1 292.814 2.425 20 0 CEADMP CC1CC[NH+](CCN2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000815145006 632971947 /nfs/dbraw/zinc/97/19/47/632971947.db2.gz MSXURBRILRXLDS-KRWDZBQOSA-N 2 1 279.472 2.136 20 0 CEADMP CC[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)[C@@H]1CCC[NH2+]1 ZINC000817913679 633771919 /nfs/dbraw/zinc/77/19/19/633771919.db2.gz QOGUOXBIXIQECK-RDBSUJKOSA-N 2 1 268.426 2.076 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccco2)c2ccccc21 ZINC000817913863 633772264 /nfs/dbraw/zinc/77/22/64/633772264.db2.gz NRWPLUKVROVHGY-MGPQQGTHSA-N 2 1 258.321 2.047 20 0 CEADMP CC[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000817914142 633773720 /nfs/dbraw/zinc/77/37/20/633773720.db2.gz RLMORVPIJGSRTD-SQNIBIBYSA-N 2 1 288.435 2.331 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)[C@@H]1CCC[NH2+]1 ZINC000817917690 633777144 /nfs/dbraw/zinc/77/71/44/633777144.db2.gz CLYSEZPBFRUGBZ-KKUMJFAQSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc(Br)ncc1F ZINC000817952364 633796259 /nfs/dbraw/zinc/79/62/59/633796259.db2.gz KHBFVXBCLYABLH-JGVFFNPUSA-N 2 1 290.180 2.371 20 0 CEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000817959606 633801718 /nfs/dbraw/zinc/80/17/18/633801718.db2.gz HQLZTVVAQDWJHO-MLGOLLRUSA-N 2 1 287.407 2.201 20 0 CEADMP O=C(Nc1ccc2nccn2c1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900673025 633802694 /nfs/dbraw/zinc/80/26/94/633802694.db2.gz WDSHLRZKBBEEQL-KBPBESRZSA-N 2 1 284.363 2.290 20 0 CEADMP c1[nH]nc2c1[C@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCC2 ZINC000817985190 633828417 /nfs/dbraw/zinc/82/84/17/633828417.db2.gz GWFSULJFOCOTJO-WCQYABFASA-N 2 1 260.385 2.051 20 0 CEADMP C[C@H](NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C(C)(C)C[NH+](C)C ZINC000900832856 633862244 /nfs/dbraw/zinc/86/22/44/633862244.db2.gz PTFLCFMQAYQRAB-RRFJBIMHSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000819061948 634056827 /nfs/dbraw/zinc/05/68/27/634056827.db2.gz YKXDCTIHYQUHFF-QMTHXVAHSA-N 2 1 288.794 2.442 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)C1=CC[N@@H+](C)CC1 ZINC000819220918 634107783 /nfs/dbraw/zinc/10/77/83/634107783.db2.gz TYTIDDCAFKGAQH-MEDUHNTESA-N 2 1 296.361 2.238 20 0 CEADMP CCCn1cc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)nn1 ZINC000902791833 634835692 /nfs/dbraw/zinc/83/56/92/634835692.db2.gz YBKXWYQAPDHMFL-CHWSQXEVSA-N 2 1 290.415 2.180 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902792823 634835836 /nfs/dbraw/zinc/83/58/36/634835836.db2.gz DNLVOXLRQMLXCK-BJWYYQGGSA-N 2 1 279.472 2.182 20 0 CEADMP CCCn1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)nn1 ZINC000903018162 634927260 /nfs/dbraw/zinc/92/72/60/634927260.db2.gz YCOGPPQCWBNEIK-UONOGXRCSA-N 2 1 279.432 2.071 20 0 CEADMP CC(C)C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903076881 634957993 /nfs/dbraw/zinc/95/79/93/634957993.db2.gz VSRAUHQZGALSEH-VMIYWNJYSA-N 2 1 266.429 2.141 20 0 CEADMP CC[C@@H](C)NC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903080659 634960345 /nfs/dbraw/zinc/96/03/45/634960345.db2.gz RRERUDHTRVBBFN-WPXLMEDKSA-N 2 1 293.455 2.039 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903089309 634964333 /nfs/dbraw/zinc/96/43/33/634964333.db2.gz PTVKVPCTDVQOBI-YTTRVJOFSA-N 2 1 279.472 2.464 20 0 CEADMP CC[C@H](C)[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903089309 634964336 /nfs/dbraw/zinc/96/43/36/634964336.db2.gz PTVKVPCTDVQOBI-YTTRVJOFSA-N 2 1 279.472 2.464 20 0 CEADMP CC[C@H](C)[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903089309 634964338 /nfs/dbraw/zinc/96/43/38/634964338.db2.gz PTVKVPCTDVQOBI-YTTRVJOFSA-N 2 1 279.472 2.464 20 0 CEADMP C[C@H]1CC[N@@H+](CCNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903105146 634971596 /nfs/dbraw/zinc/97/15/96/634971596.db2.gz QSFXCLGMRYLJIN-YTTRVJOFSA-N 2 1 277.456 2.076 20 0 CEADMP C[C@H]1CC[NH+](CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903105146 634971598 /nfs/dbraw/zinc/97/15/98/634971598.db2.gz QSFXCLGMRYLJIN-YTTRVJOFSA-N 2 1 277.456 2.076 20 0 CEADMP C[C@H]1CC[NH+](CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903105146 634971606 /nfs/dbraw/zinc/97/16/06/634971606.db2.gz QSFXCLGMRYLJIN-YTTRVJOFSA-N 2 1 277.456 2.076 20 0 CEADMP CCC[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903096658 634977024 /nfs/dbraw/zinc/97/70/24/634977024.db2.gz INDBBZOVCNFABO-YPAMNDHTSA-N 2 1 266.429 2.285 20 0 CEADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(F)(F)F ZINC000903138678 634987291 /nfs/dbraw/zinc/98/72/91/634987291.db2.gz ZSISEMOWDZNGKZ-CTEVKTCYSA-N 2 1 292.345 2.311 20 0 CEADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(F)(F)F ZINC000903138678 634987292 /nfs/dbraw/zinc/98/72/92/634987292.db2.gz ZSISEMOWDZNGKZ-CTEVKTCYSA-N 2 1 292.345 2.311 20 0 CEADMP CC[C@@H]([NH3+])c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000822807554 635000346 /nfs/dbraw/zinc/00/03/46/635000346.db2.gz ADLGGWFUNIOXQW-GFCCVEGCSA-N 2 1 290.367 2.087 20 0 CEADMP COCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903197445 635007576 /nfs/dbraw/zinc/00/75/76/635007576.db2.gz YVYSZDCMXNXUEO-LQDVMPOASA-N 2 1 264.413 2.160 20 0 CEADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000903207727 635016069 /nfs/dbraw/zinc/01/60/69/635016069.db2.gz ZQXCTCDOOWZVSE-HRCADAONSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)O[C@]1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCOC1 ZINC000903357170 635084430 /nfs/dbraw/zinc/08/44/30/635084430.db2.gz KJICLNARWYLOIW-HOCLYGCPSA-N 2 1 284.444 2.033 20 0 CEADMP Cc1ncccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000903417648 635107898 /nfs/dbraw/zinc/10/78/98/635107898.db2.gz DRHQERGURSIZRE-GVDBMIGSSA-N 2 1 273.424 2.395 20 0 CEADMP COCC[N@@H+](Cc1cccs1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903426357 635112714 /nfs/dbraw/zinc/11/27/14/635112714.db2.gz HZKLUBDNKHXARE-OLZOCXBDSA-N 2 1 268.426 2.052 20 0 CEADMP COCC[N@H+](Cc1cccs1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903426357 635112718 /nfs/dbraw/zinc/11/27/18/635112718.db2.gz HZKLUBDNKHXARE-OLZOCXBDSA-N 2 1 268.426 2.052 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430810 635115067 /nfs/dbraw/zinc/11/50/67/635115067.db2.gz CIPAZDKPGLAWJI-KGLIPLIRSA-N 2 1 278.396 2.133 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903450426 635135107 /nfs/dbraw/zinc/13/51/07/635135107.db2.gz VBXBWXXZZBCLED-FVCCEPFGSA-N 2 1 258.356 2.339 20 0 CEADMP c1cc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2[nH]1 ZINC000903452640 635137180 /nfs/dbraw/zinc/13/71/80/635137180.db2.gz OUKVEYHPNKWJKF-LSDHHAIUSA-N 2 1 255.365 2.352 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000903454852 635138386 /nfs/dbraw/zinc/13/83/86/635138386.db2.gz KYGZKFJLGSSYTG-LZQZFOIKSA-N 2 1 280.334 2.072 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCc2ccns2)C1 ZINC000903475930 635145218 /nfs/dbraw/zinc/14/52/18/635145218.db2.gz IBIVKSGYZJZCBN-AWEZNQCLSA-N 2 1 267.442 2.383 20 0 CEADMP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496672 635157848 /nfs/dbraw/zinc/15/78/48/635157848.db2.gz YFPWDBYGNHNOQW-JHJVBQTASA-N 2 1 293.386 2.069 20 0 CEADMP CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000903575237 635170141 /nfs/dbraw/zinc/17/01/41/635170141.db2.gz KCLXGSMEUIMYCO-HNNXBMFYSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@](C)(O)c1ccccc1 ZINC000823605941 635228036 /nfs/dbraw/zinc/22/80/36/635228036.db2.gz OOWIKONDUQARCR-SJORKVTESA-N 2 1 276.424 2.310 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@](C)(O)c1ccccc1 ZINC000823605941 635228042 /nfs/dbraw/zinc/22/80/42/635228042.db2.gz OOWIKONDUQARCR-SJORKVTESA-N 2 1 276.424 2.310 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@](C)(O)c1ccccc1 ZINC000823605941 635228044 /nfs/dbraw/zinc/22/80/44/635228044.db2.gz OOWIKONDUQARCR-SJORKVTESA-N 2 1 276.424 2.310 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@](C)(O)c1ccccc1 ZINC000823605941 635228049 /nfs/dbraw/zinc/22/80/49/635228049.db2.gz OOWIKONDUQARCR-SJORKVTESA-N 2 1 276.424 2.310 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903716974 635230934 /nfs/dbraw/zinc/23/09/34/635230934.db2.gz FPOOPHCZVOGVHT-BARDWOONSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717381 635232245 /nfs/dbraw/zinc/23/22/45/635232245.db2.gz PMZJVBJBVBQMLP-MRXNPFEDSA-N 2 1 274.408 2.277 20 0 CEADMP CC1CCC([N@@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903718362 635233235 /nfs/dbraw/zinc/23/32/35/635233235.db2.gz LEWFYGBZCOXXPK-FJBKBRRZSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[C@@H](C)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903721484 635234996 /nfs/dbraw/zinc/23/49/96/635234996.db2.gz BEXYQAUKRHWHNF-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP COc1ccc(C[N@H+](C)C[C@@H]2CCCC[NH2+]C2)cc1O ZINC000903722787 635235790 /nfs/dbraw/zinc/23/57/90/635235790.db2.gz PBVRIKCOQWPKEI-CQSZACIVSA-N 2 1 278.396 2.222 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCCC[NH2+]C2)cc1O ZINC000903722787 635235792 /nfs/dbraw/zinc/23/57/92/635235792.db2.gz PBVRIKCOQWPKEI-CQSZACIVSA-N 2 1 278.396 2.222 20 0 CEADMP C[C@@H](C1CC1)[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903723870 635237422 /nfs/dbraw/zinc/23/74/22/635237422.db2.gz YWNBJUKESVOLNW-XJKSGUPXSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@@H]1CCC[C@H]([N@@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903725021 635238283 /nfs/dbraw/zinc/23/82/83/635238283.db2.gz VBSVCTCEKHQCTO-QKPAOTATSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903725903 635238336 /nfs/dbraw/zinc/23/83/36/635238336.db2.gz IWWVSJAUDOCSJQ-HUUCEWRRSA-N 2 1 266.429 2.267 20 0 CEADMP CC[C@@H](C)C[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729676 635240360 /nfs/dbraw/zinc/24/03/60/635240360.db2.gz QKRUNBOKSBUOLC-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC2(CCCC2)C1 ZINC000903729624 635240921 /nfs/dbraw/zinc/24/09/21/635240921.db2.gz PNASMFZCSOJUCQ-OAHLLOKOSA-N 2 1 278.440 2.411 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000903712773 635244607 /nfs/dbraw/zinc/24/46/07/635244607.db2.gz SAMMNLHIDGILGV-CVEARBPZSA-N 2 1 266.429 2.125 20 0 CEADMP FCCn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000903749619 635247659 /nfs/dbraw/zinc/24/76/59/635247659.db2.gz NBORTZAUBWJZLY-CVEARBPZSA-N 2 1 294.418 2.064 20 0 CEADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903733709 635250892 /nfs/dbraw/zinc/25/08/92/635250892.db2.gz MTEJYSBTKXBNOF-JONQDZQNSA-N 2 1 298.496 2.361 20 0 CEADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903766086 635258104 /nfs/dbraw/zinc/25/81/04/635258104.db2.gz OEBGCWQRNWRXMF-WFDRTZIDSA-N 2 1 264.413 2.018 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccccc1C(C)C ZINC000903769232 635259962 /nfs/dbraw/zinc/25/99/62/635259962.db2.gz AGBRGARLFGKRMT-UHFFFAOYSA-N 2 1 264.413 2.478 20 0 CEADMP CC1CC(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000903768688 635259971 /nfs/dbraw/zinc/25/99/71/635259971.db2.gz PEPZURKLOVETHP-NEADZQPHSA-N 2 1 266.429 2.393 20 0 CEADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCCC2(CC2)CC1 ZINC000903776852 635264590 /nfs/dbraw/zinc/26/45/90/635264590.db2.gz XCJRKQAOCFNBRC-HNNXBMFYSA-N 2 1 278.440 2.411 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCOC2CCSCC2)[C@H]1C ZINC000903781785 635267187 /nfs/dbraw/zinc/26/71/87/635267187.db2.gz AJJDASKPVPZLKA-HZSPNIEDSA-N 2 1 286.485 2.346 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCOC2CCSCC2)[C@H]1C ZINC000903781785 635267188 /nfs/dbraw/zinc/26/71/88/635267188.db2.gz AJJDASKPVPZLKA-HZSPNIEDSA-N 2 1 286.485 2.346 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000903788017 635269906 /nfs/dbraw/zinc/26/99/06/635269906.db2.gz AFQJKSWKPGPRQY-TZMCWYRMSA-N 2 1 264.417 2.189 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC[C@H]1C[NH3+] ZINC000903788742 635270676 /nfs/dbraw/zinc/27/06/76/635270676.db2.gz PMTOTEWEUOIBAP-VOAKCMCISA-N 2 1 294.361 2.403 20 0 CEADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903788411 635271216 /nfs/dbraw/zinc/27/12/16/635271216.db2.gz KJBJXRAIEJPRLG-HZPDHXFCSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)C[C@@H]1CN(C)CC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903788411 635271222 /nfs/dbraw/zinc/27/12/22/635271222.db2.gz KJBJXRAIEJPRLG-HZPDHXFCSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)C[C@@H]1CN(C)CC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903788411 635271226 /nfs/dbraw/zinc/27/12/26/635271226.db2.gz KJBJXRAIEJPRLG-HZPDHXFCSA-N 2 1 267.461 2.038 20 0 CEADMP C(C1CCCCC1)[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815673 635272455 /nfs/dbraw/zinc/27/24/55/635272455.db2.gz OOGHNQNOWIVZJR-UHFFFAOYSA-N 2 1 266.429 2.411 20 0 CEADMP CCO[C@H](C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+])C1CC1 ZINC000903803637 635279875 /nfs/dbraw/zinc/27/98/75/635279875.db2.gz ZHICPTNFYUMPKQ-ZNMIVQPWSA-N 2 1 252.402 2.005 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+])C1CC1 ZINC000903803637 635279879 /nfs/dbraw/zinc/27/98/79/635279879.db2.gz ZHICPTNFYUMPKQ-ZNMIVQPWSA-N 2 1 252.402 2.005 20 0 CEADMP Cc1noc(C[C@H]2CCC[N@@H+](CCCCCC[NH3+])C2)n1 ZINC000903824893 635291969 /nfs/dbraw/zinc/29/19/69/635291969.db2.gz UMQMFRGYBBSYTK-CQSZACIVSA-N 2 1 280.416 2.152 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000903823927 635292688 /nfs/dbraw/zinc/29/26/88/635292688.db2.gz LNAXDVICIYWZQO-CVEARBPZSA-N 2 1 284.444 2.023 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCSC[C@H]1C1CC1 ZINC000903827751 635294588 /nfs/dbraw/zinc/29/45/88/635294588.db2.gz WBCXQCBTCSIABB-XBFCOCLRSA-N 2 1 254.443 2.059 20 0 CEADMP c1csc(C[C@@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903831337 635295933 /nfs/dbraw/zinc/29/59/33/635295933.db2.gz IMRXXQURDPAJER-KBPBESRZSA-N 2 1 279.453 2.397 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCCOCCc1ccccc1 ZINC000903855755 635306812 /nfs/dbraw/zinc/30/68/12/635306812.db2.gz OZZMTHXUHLCKDX-MSOLQXFVSA-N 2 1 288.435 2.449 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCCOCCc1ccccc1 ZINC000903855755 635306819 /nfs/dbraw/zinc/30/68/19/635306819.db2.gz OZZMTHXUHLCKDX-MSOLQXFVSA-N 2 1 288.435 2.449 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+])C1CCCCC1 ZINC000903861812 635312326 /nfs/dbraw/zinc/31/23/26/635312326.db2.gz YHRLAFIGFFICFV-OAGGEKHMSA-N 2 1 266.429 2.395 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]2CC[C@]21C[NH3+])C1CCCCC1 ZINC000903861812 635312329 /nfs/dbraw/zinc/31/23/29/635312329.db2.gz YHRLAFIGFFICFV-OAGGEKHMSA-N 2 1 266.429 2.395 20 0 CEADMP CO[C@@H](C[N@@H+]1CCC[C@@]12CC[NH2+]C2)C1CCCCC1 ZINC000903871354 635320134 /nfs/dbraw/zinc/32/01/34/635320134.db2.gz SNJHEATXBJLZJQ-HOTGVXAUSA-N 2 1 266.429 2.410 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@@]12CC[NH2+]C2)C1CCCCC1 ZINC000903871354 635320140 /nfs/dbraw/zinc/32/01/40/635320140.db2.gz SNJHEATXBJLZJQ-HOTGVXAUSA-N 2 1 266.429 2.410 20 0 CEADMP COc1cccc(OCCC[NH2+]C[C@H]([NH3+])CC(F)F)c1 ZINC000903922532 635350337 /nfs/dbraw/zinc/35/03/37/635350337.db2.gz YXGBLFQDLYVMTB-LLVKDONJSA-N 2 1 288.338 2.036 20 0 CEADMP [NH3+][C@@H](C[NH2+]CCCc1cccc(F)c1)CC(F)F ZINC000903922071 635350637 /nfs/dbraw/zinc/35/06/37/635350637.db2.gz UHNSTGYNTGAWGL-GFCCVEGCSA-N 2 1 260.303 2.330 20 0 CEADMP [NH3+][C@H](CNCc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000903915912 635363060 /nfs/dbraw/zinc/36/30/60/635363060.db2.gz DUKVDPKZTWZPQS-GOSISDBHSA-N 2 1 281.403 2.122 20 0 CEADMP CCn1nc(C[NH2+]CCC(C)(C)[NH3+])c2ccccc21 ZINC000903940170 635373050 /nfs/dbraw/zinc/37/30/50/635373050.db2.gz ZEQHVTKJLCXRKW-UHFFFAOYSA-N 2 1 260.385 2.273 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955500 635389026 /nfs/dbraw/zinc/38/90/26/635389026.db2.gz TTYRCHMPHNKUNV-GFCCVEGCSA-N 2 1 270.323 2.030 20 0 CEADMP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1F ZINC000903955778 635389830 /nfs/dbraw/zinc/38/98/30/635389830.db2.gz YTSBEDHDDFYHBG-GFCCVEGCSA-N 2 1 272.314 2.469 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903968459 635401040 /nfs/dbraw/zinc/40/10/40/635401040.db2.gz WPBUPAUHRGLXLK-FZCLSBEQSA-N 2 1 287.451 2.267 20 0 CEADMP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903968459 635401046 /nfs/dbraw/zinc/40/10/46/635401046.db2.gz WPBUPAUHRGLXLK-FZCLSBEQSA-N 2 1 287.451 2.267 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000824658578 635472261 /nfs/dbraw/zinc/47/22/61/635472261.db2.gz MULVSOHXTIWCMS-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000824658578 635472265 /nfs/dbraw/zinc/47/22/65/635472265.db2.gz MULVSOHXTIWCMS-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000824658578 635472270 /nfs/dbraw/zinc/47/22/70/635472270.db2.gz MULVSOHXTIWCMS-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@]1(CN2CC[NH+](Cc3cccs3)CC2)CCC[NH2+]C1 ZINC000904303977 635555392 /nfs/dbraw/zinc/55/53/92/635555392.db2.gz OAJVKOKWQKXEQX-MRXNPFEDSA-N 2 1 293.480 2.255 20 0 CEADMP C[N@H+](C[C@H]1COc2ccccc2O1)C[C@]1(C)CCC[NH2+]C1 ZINC000904303890 635555771 /nfs/dbraw/zinc/55/57/71/635555771.db2.gz LBFCWEMWHYYVSF-WMLDXEAASA-N 2 1 290.407 2.148 20 0 CEADMP C[N@@H+](C[C@H]1COc2ccccc2O1)C[C@]1(C)CCC[NH2+]C1 ZINC000904303890 635555775 /nfs/dbraw/zinc/55/57/75/635555775.db2.gz LBFCWEMWHYYVSF-WMLDXEAASA-N 2 1 290.407 2.148 20 0 CEADMP C[C@]1(CN2CCC[N@H+](C3CCCC3)CC2)CCC[NH2+]C1 ZINC000904315950 635557404 /nfs/dbraw/zinc/55/74/04/635557404.db2.gz GUGBZXQPKQSNPE-KRWDZBQOSA-N 2 1 279.472 2.326 20 0 CEADMP Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)o1 ZINC000904312859 635559769 /nfs/dbraw/zinc/55/97/69/635559769.db2.gz OLVTWWUHKBSBLR-UHOFOFEASA-N 2 1 298.390 2.215 20 0 CEADMP Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)o1 ZINC000904312859 635559773 /nfs/dbraw/zinc/55/97/73/635559773.db2.gz OLVTWWUHKBSBLR-UHOFOFEASA-N 2 1 298.390 2.215 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+](Cc2cccc(O)c2)CC2CC2)C1 ZINC000904313298 635560143 /nfs/dbraw/zinc/56/01/43/635560143.db2.gz DTRAJROYUNJZRI-GASCZTMLSA-N 2 1 260.381 2.342 20 0 CEADMP Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)o1 ZINC000904312858 635560438 /nfs/dbraw/zinc/56/04/38/635560438.db2.gz OLVTWWUHKBSBLR-MAZHCROVSA-N 2 1 298.390 2.215 20 0 CEADMP Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)o1 ZINC000904312858 635560439 /nfs/dbraw/zinc/56/04/39/635560439.db2.gz OLVTWWUHKBSBLR-MAZHCROVSA-N 2 1 298.390 2.215 20 0 CEADMP COc1cccc(C[C@@H]2CCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904312046 635560643 /nfs/dbraw/zinc/56/06/43/635560643.db2.gz DZAJCAVMZNSAOC-XHSDSOJGSA-N 2 1 274.408 2.439 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1n1ccnc1 ZINC000904327311 635573589 /nfs/dbraw/zinc/57/35/89/635573589.db2.gz CRANYKNXGOOKPD-PMPSAXMXSA-N 2 1 276.428 2.156 20 0 CEADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328474 635574817 /nfs/dbraw/zinc/57/48/17/635574817.db2.gz PFMHWZGFVSQMQQ-VNQPRFMTSA-N 2 1 273.424 2.454 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C)CCN1C[C@H]([NH3+])CCC(C)(C)C ZINC000904332469 635576346 /nfs/dbraw/zinc/57/63/46/635576346.db2.gz PDRLUZZVCMLYPG-HUUCEWRRSA-N 2 1 269.477 2.412 20 0 CEADMP N[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)C[C@H]1c1ccccc1 ZINC000904334243 635577151 /nfs/dbraw/zinc/57/71/51/635577151.db2.gz QAEONVJMPCGGMW-ZWKOTPCHSA-N 2 1 281.403 2.072 20 0 CEADMP N[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2)C[C@H]1c1ccccc1 ZINC000904334243 635577156 /nfs/dbraw/zinc/57/71/56/635577156.db2.gz QAEONVJMPCGGMW-ZWKOTPCHSA-N 2 1 281.403 2.072 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC000904370838 635592261 /nfs/dbraw/zinc/59/22/61/635592261.db2.gz FLJFPYFLKODOIY-SWLSCSKDSA-N 2 1 290.407 2.198 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000904364590 635596582 /nfs/dbraw/zinc/59/65/82/635596582.db2.gz ZDADPWFOCGWVGI-CABCVRRESA-N 2 1 290.455 2.404 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000904378435 635603241 /nfs/dbraw/zinc/60/32/41/635603241.db2.gz CQEKONAPBHLCHN-IPYPFGDCSA-N 2 1 254.418 2.108 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000904378435 635603243 /nfs/dbraw/zinc/60/32/43/635603243.db2.gz CQEKONAPBHLCHN-IPYPFGDCSA-N 2 1 254.418 2.108 20 0 CEADMP C[C@]1(C[N@@H+]2CCc3c(O)cccc3C2)CCC[NH2+]C1 ZINC000904380586 635604284 /nfs/dbraw/zinc/60/42/84/635604284.db2.gz DXNVNYOQEZHHGF-INIZCTEOSA-N 2 1 260.381 2.140 20 0 CEADMP C[C@]1(C[N@H+]2CCc3c(O)cccc3C2)CCC[NH2+]C1 ZINC000904380586 635604289 /nfs/dbraw/zinc/60/42/89/635604289.db2.gz DXNVNYOQEZHHGF-INIZCTEOSA-N 2 1 260.381 2.140 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904384873 635607180 /nfs/dbraw/zinc/60/71/80/635607180.db2.gz OPFSDUPUNWDXSF-GDBMZVCRSA-N 2 1 282.428 2.041 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C[C@H](C)O1 ZINC000825304354 635609153 /nfs/dbraw/zinc/60/91/53/635609153.db2.gz VLKYTPWIKZYMGV-HDEZJCGLSA-N 2 1 296.455 2.033 20 0 CEADMP COc1cc2c(c(C[N@H+]3CC[C@H](CC[NH3+])C3)c1)O[C@@H](C)C2 ZINC000904405188 635612367 /nfs/dbraw/zinc/61/23/67/635612367.db2.gz GTUKPICBKZZQMF-STQMWFEESA-N 2 1 290.407 2.189 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1F ZINC000904406447 635614271 /nfs/dbraw/zinc/61/42/71/635614271.db2.gz VHJHASGMKXEKJY-GFCCVEGCSA-N 2 1 266.360 2.395 20 0 CEADMP COc1ccsc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904411070 635616695 /nfs/dbraw/zinc/61/66/95/635616695.db2.gz JMRKRHFHRXCJKH-MNOVXSKESA-N 2 1 254.399 2.173 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904410419 635616971 /nfs/dbraw/zinc/61/69/71/635616971.db2.gz DIJUEYKAAIOUCH-QWHCGFSZSA-N 2 1 278.396 2.121 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2OCCCO3)CC[C@@H]1C[NH3+] ZINC000904412108 635619962 /nfs/dbraw/zinc/61/99/62/635619962.db2.gz PXOFGQFCTXWZSW-ZIAGYGMSSA-N 2 1 290.407 2.265 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)n2c1 ZINC000904412195 635620127 /nfs/dbraw/zinc/62/01/27/635620127.db2.gz SAOCADCTXLBHCX-KGLIPLIRSA-N 2 1 272.396 2.059 20 0 CEADMP COCCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000904412479 635620208 /nfs/dbraw/zinc/62/02/08/635620208.db2.gz UOWPOWFPBHYMJF-ZBFHGGJFSA-N 2 1 292.423 2.129 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)o1 ZINC000904412800 635620309 /nfs/dbraw/zinc/62/03/09/635620309.db2.gz ZBZQKZSFSVCTRH-DGCLKSJQSA-N 2 1 288.395 2.395 20 0 CEADMP CCOc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904420629 635631680 /nfs/dbraw/zinc/63/16/80/635631680.db2.gz CERFFGIRLYEOLY-LSDHHAIUSA-N 2 1 260.381 2.127 20 0 CEADMP Cc1c[nH]nc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904470732 635646824 /nfs/dbraw/zinc/64/68/24/635646824.db2.gz BMXABJKFSSUBJL-PBHICJAKSA-N 2 1 298.390 2.064 20 0 CEADMP C[N@H+]1C[C@@H]2CN(C[C@@H]([NH3+])CCC(C)(C)C)C[C@]2(C)C1 ZINC000904468913 635647011 /nfs/dbraw/zinc/64/70/11/635647011.db2.gz GSOHYBPUOWXKRY-YCPHGPKFSA-N 2 1 267.461 2.024 20 0 CEADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)C(C)(C)CO ZINC000924801967 635766961 /nfs/dbraw/zinc/76/69/61/635766961.db2.gz IWIHNXVFPGEAHW-CYBMUJFWSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C(C)(C)CO ZINC000924801967 635766962 /nfs/dbraw/zinc/76/69/62/635766962.db2.gz IWIHNXVFPGEAHW-CYBMUJFWSA-N 2 1 256.434 2.248 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc(C)c2)C1 ZINC000905065600 635809642 /nfs/dbraw/zinc/80/96/42/635809642.db2.gz IQQOUBOWYUGEKX-WBVHZDCISA-N 2 1 276.424 2.350 20 0 CEADMP [NH3+]C1(c2noc(-c3cccc(C[NH+]4CCCC4)c3)n2)CC1 ZINC000905318550 636216927 /nfs/dbraw/zinc/21/69/27/636216927.db2.gz GIUWNHMJKBYBTN-UHFFFAOYSA-N 2 1 284.363 2.280 20 0 CEADMP CCSc1ccc(CNC[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000905409719 636261374 /nfs/dbraw/zinc/26/13/74/636261374.db2.gz KKCPPJOHADQQKP-HNNXBMFYSA-N 2 1 294.464 2.343 20 0 CEADMP CCSc1ccc(C[NH2+]C[C@H](O)CN(C)C2CC2)cc1 ZINC000905409719 636261380 /nfs/dbraw/zinc/26/13/80/636261380.db2.gz KKCPPJOHADQQKP-HNNXBMFYSA-N 2 1 294.464 2.343 20 0 CEADMP Cc1ccccc1C1([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000829490767 636863861 /nfs/dbraw/zinc/86/38/61/636863861.db2.gz ZVCSYAAHNNQNMX-HNNXBMFYSA-N 2 1 274.408 2.030 20 0 CEADMP CN(C)c1ccnc(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC000907325197 636995000 /nfs/dbraw/zinc/99/50/00/636995000.db2.gz QEURWSZMCLUQBA-TZMCWYRMSA-N 2 1 288.395 2.103 20 0 CEADMP CC[N@@H+](CCc1ccccn1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841008824 639616339 /nfs/dbraw/zinc/61/63/39/639616339.db2.gz XKNYZYQNDUNISM-LSDHHAIUSA-N 2 1 261.413 2.334 20 0 CEADMP C[C@@H]([NH2+]Cc1cccnc1Cl)[C@H]1CCC[NH2+]C1 ZINC000841033508 639625014 /nfs/dbraw/zinc/62/50/14/639625014.db2.gz PQYZNONOZFOFCB-MNOVXSKESA-N 2 1 253.777 2.213 20 0 CEADMP CCOc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1OC(=O)CC ZINC000841076220 639646108 /nfs/dbraw/zinc/64/61/08/639646108.db2.gz CPDLYLSJULWARJ-NWDGAFQWSA-N 2 1 294.395 2.226 20 0 CEADMP CSC(C)(C)CC[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000877040259 650543583 /nfs/dbraw/zinc/54/35/83/650543583.db2.gz BLQHXFUXUSXHRB-CQSZACIVSA-N 2 1 288.501 2.345 20 0 CEADMP C[N@@H+](C[C@H]1CC[C@@H](C(F)(F)F)O1)C[C@H]1CCC[NH+](C)C1 ZINC000929703346 640025063 /nfs/dbraw/zinc/02/50/63/640025063.db2.gz SPSWJDRXACKIBN-XQQFMLRXSA-N 2 1 294.361 2.370 20 0 CEADMP C[NH+](C[C@H]1CC[C@@H](C(F)(F)F)O1)C[C@H]1CCC[N@H+](C)C1 ZINC000929703346 640025066 /nfs/dbraw/zinc/02/50/66/640025066.db2.gz SPSWJDRXACKIBN-XQQFMLRXSA-N 2 1 294.361 2.370 20 0 CEADMP C[NH+](C[C@H]1CC[C@@H](C(F)(F)F)O1)C[C@H]1CCC[N@@H+](C)C1 ZINC000929703346 640025072 /nfs/dbraw/zinc/02/50/72/640025072.db2.gz SPSWJDRXACKIBN-XQQFMLRXSA-N 2 1 294.361 2.370 20 0 CEADMP CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000842472063 640071550 /nfs/dbraw/zinc/07/15/50/640071550.db2.gz ORTXBTBOYNNQBN-OAHLLOKOSA-N 2 1 283.460 2.228 20 0 CEADMP Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCCCCCC[NH3+] ZINC000842476161 640075892 /nfs/dbraw/zinc/07/58/92/640075892.db2.gz IILKCYXHTNWGQF-OAHLLOKOSA-N 2 1 294.443 2.309 20 0 CEADMP Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCCCCCC[NH3+] ZINC000842476161 640075896 /nfs/dbraw/zinc/07/58/96/640075896.db2.gz IILKCYXHTNWGQF-OAHLLOKOSA-N 2 1 294.443 2.309 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])CCN1CC(F)(F)F ZINC000842479336 640078075 /nfs/dbraw/zinc/07/80/75/640078075.db2.gz ZLQWZVFXOJWJFN-CYBMUJFWSA-N 2 1 295.393 2.464 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCOCC2(CCC2)C1 ZINC000842478447 640078170 /nfs/dbraw/zinc/07/81/70/640078170.db2.gz IZYQBRDPHKKCFQ-UHFFFAOYSA-N 2 1 254.418 2.398 20 0 CEADMP CC[C@@H](CO)[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000929755983 640092424 /nfs/dbraw/zinc/09/24/24/640092424.db2.gz ZFKSVVFYIFHELZ-INIZCTEOSA-N 2 1 291.439 2.391 20 0 CEADMP Fc1cccn2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)nc12 ZINC000843120192 640289719 /nfs/dbraw/zinc/28/97/19/640289719.db2.gz QIXAPKAXSYEJPC-UHFFFAOYSA-N 2 1 288.370 2.049 20 0 CEADMP CC[C@H]([NH3+])c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000843186047 640337090 /nfs/dbraw/zinc/33/70/90/640337090.db2.gz CPADVXDSDUPTCP-ZDUSSCGKSA-N 2 1 290.367 2.087 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000843358615 640402135 /nfs/dbraw/zinc/40/21/35/640402135.db2.gz UNHICYZKTFRSDU-CQSZACIVSA-N 2 1 270.323 2.077 20 0 CEADMP CCCCCCNC(=O)C[N@H+](CCC)C1CC[NH2+]CC1 ZINC000843360722 640403341 /nfs/dbraw/zinc/40/33/41/640403341.db2.gz LXQFEZLCOYNYEX-UHFFFAOYSA-N 2 1 283.460 2.147 20 0 CEADMP CCCCCCNC(=O)C[N@@H+](CCC)C1CC[NH2+]CC1 ZINC000843360722 640403345 /nfs/dbraw/zinc/40/33/45/640403345.db2.gz LXQFEZLCOYNYEX-UHFFFAOYSA-N 2 1 283.460 2.147 20 0 CEADMP Cc1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c(C)o1 ZINC000843431848 640429784 /nfs/dbraw/zinc/42/97/84/640429784.db2.gz KJUNBTNAHMAVMS-UHFFFAOYSA-N 2 1 278.396 2.193 20 0 CEADMP Cc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(C)o1 ZINC000843431848 640429786 /nfs/dbraw/zinc/42/97/86/640429786.db2.gz KJUNBTNAHMAVMS-UHFFFAOYSA-N 2 1 278.396 2.193 20 0 CEADMP C[C@@H](C[C@H]1CCOC1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834908018 640438121 /nfs/dbraw/zinc/43/81/21/640438121.db2.gz ACHWALSHGRPMDU-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000844221626 640636358 /nfs/dbraw/zinc/63/63/58/640636358.db2.gz IFAXJDAXORTWQG-PBHICJAKSA-N 2 1 273.424 2.499 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000845943004 641133997 /nfs/dbraw/zinc/13/39/97/641133997.db2.gz XBEOFCBFWFKHCE-GDBMZVCRSA-N 2 1 299.422 2.230 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877259098 650645692 /nfs/dbraw/zinc/64/56/92/650645692.db2.gz YLJKCSUYEVUIJC-RHSMWYFYSA-N 2 1 295.471 2.084 20 0 CEADMP Cc1noc([C@H]2CCC[N@@H+](CCCCCC[NH3+])C2)n1 ZINC000846217783 641225513 /nfs/dbraw/zinc/22/55/13/641225513.db2.gz BFPHOCSSQHGWGY-ZDUSSCGKSA-N 2 1 266.389 2.077 20 0 CEADMP [NH3+]CCCCCC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000846218334 641226999 /nfs/dbraw/zinc/22/69/99/641226999.db2.gz RAIPEVPXRBXVDB-KRWDZBQOSA-N 2 1 276.424 2.487 20 0 CEADMP C[N@H+]1CCN(CCCCCC[NH3+])C2(CCCCC2)C1 ZINC000846219457 641227528 /nfs/dbraw/zinc/22/75/28/641227528.db2.gz BDSROQZSCLZEPN-UHFFFAOYSA-N 2 1 267.461 2.456 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000877266631 650647020 /nfs/dbraw/zinc/64/70/20/650647020.db2.gz SZJPFJYAHKYTLQ-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCCCCC[NH3+] ZINC000237637734 641364798 /nfs/dbraw/zinc/36/47/98/641364798.db2.gz SEGWSQJLZGZWOK-XHSDSOJGSA-N 2 1 297.487 2.378 20 0 CEADMP CCCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070171058 641639728 /nfs/dbraw/zinc/63/97/28/641639728.db2.gz DYQGGLSIRHBLKS-HUUCEWRRSA-N 2 1 283.460 2.132 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(Cl)n1C ZINC000848913042 642187290 /nfs/dbraw/zinc/18/72/90/642187290.db2.gz ZWXQLBVDTHMUDK-UHFFFAOYSA-N 2 1 281.791 2.101 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(Cl)n1C ZINC000848913042 642187292 /nfs/dbraw/zinc/18/72/92/642187292.db2.gz ZWXQLBVDTHMUDK-UHFFFAOYSA-N 2 1 281.791 2.101 20 0 CEADMP CNC(=[NH2+])NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989184 642211234 /nfs/dbraw/zinc/21/12/34/642211234.db2.gz CZSZYNSVOAMXBG-ZFWWWQNUSA-N 2 1 274.412 2.031 20 0 CEADMP CCNC(=[NH2+])NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848990057 642211364 /nfs/dbraw/zinc/21/13/64/642211364.db2.gz VNLRTRCXZHWXMI-GOEBONIOSA-N 2 1 288.439 2.421 20 0 CEADMP CCCCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000848996071 642216056 /nfs/dbraw/zinc/21/60/56/642216056.db2.gz BNJSJZPNTQJIMQ-AWEZNQCLSA-N 2 1 268.449 2.411 20 0 CEADMP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000849023712 642237150 /nfs/dbraw/zinc/23/71/50/642237150.db2.gz AOBINZSXPOZKBP-UONOGXRCSA-N 2 1 280.460 2.363 20 0 CEADMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])NC2CCCCC2)C1 ZINC000849041662 642251116 /nfs/dbraw/zinc/25/11/16/642251116.db2.gz VCUQQCYUUDZWAO-CYBMUJFWSA-N 2 1 266.433 2.165 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]CC2(C)CCCC2)CC1(C)C ZINC000877498264 650751573 /nfs/dbraw/zinc/75/15/73/650751573.db2.gz AMKNXUXCEHKWMT-UHFFFAOYSA-N 2 1 267.461 2.182 20 0 CEADMP C[NH+](C)CCC[N@H+](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000877522613 650764808 /nfs/dbraw/zinc/76/48/08/650764808.db2.gz PHUYTEFKWTZHMF-CQSZACIVSA-N 2 1 299.459 2.269 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000877522613 650764815 /nfs/dbraw/zinc/76/48/15/650764815.db2.gz PHUYTEFKWTZHMF-CQSZACIVSA-N 2 1 299.459 2.269 20 0 CEADMP CS[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000921742848 642568885 /nfs/dbraw/zinc/56/88/85/642568885.db2.gz NXIIIYNAPMHOHG-KBPBESRZSA-N 2 1 286.485 2.361 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cnc2ccccn12 ZINC000685470283 642575550 /nfs/dbraw/zinc/57/55/50/642575550.db2.gz DQKHETBHRRGHJA-DZGCQCFKSA-N 2 1 272.396 2.106 20 0 CEADMP COc1cncc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000850118843 642585250 /nfs/dbraw/zinc/58/52/50/642585250.db2.gz KMSCQXJOLZAZLU-CQSZACIVSA-N 2 1 277.412 2.300 20 0 CEADMP COc1cncc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000850118843 642585254 /nfs/dbraw/zinc/58/52/54/642585254.db2.gz KMSCQXJOLZAZLU-CQSZACIVSA-N 2 1 277.412 2.300 20 0 CEADMP COc1cncc(C[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000850157889 642599002 /nfs/dbraw/zinc/59/90/02/642599002.db2.gz YFYCFEHIZSECNU-UHFFFAOYSA-N 2 1 274.368 2.165 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921818193 642682474 /nfs/dbraw/zinc/68/24/74/642682474.db2.gz ONNUZEFMEAPAOQ-CHWSQXEVSA-N 2 1 289.379 2.496 20 0 CEADMP CC1(C)[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)[C@@H]2CCC[C@@H]21 ZINC000850433391 642711875 /nfs/dbraw/zinc/71/18/75/642711875.db2.gz LXJJCHYZRQYFJU-DGADGQDISA-N 2 1 278.440 2.264 20 0 CEADMP CC1(C)[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)[C@@H]2CCC[C@@H]21 ZINC000850433391 642711879 /nfs/dbraw/zinc/71/18/79/642711879.db2.gz LXJJCHYZRQYFJU-DGADGQDISA-N 2 1 278.440 2.264 20 0 CEADMP Cn1nc2c(c1C[NH2+]CC1(C[NH+](C)C)CCCC1)CCC2 ZINC000921997786 642833236 /nfs/dbraw/zinc/83/32/36/642833236.db2.gz MTWWMQQKOMXOHN-UHFFFAOYSA-N 2 1 290.455 2.120 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001016334391 642837437 /nfs/dbraw/zinc/83/74/37/642837437.db2.gz RMAPUNODBMLDSQ-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CO[C@H]1CCCCO1 ZINC000922232956 642971820 /nfs/dbraw/zinc/97/18/20/642971820.db2.gz ZUKKGAFSNXKREV-OAGGEKHMSA-N 2 1 282.428 2.136 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000922273914 642994962 /nfs/dbraw/zinc/99/49/62/642994962.db2.gz ONAVGWWBPZVWRH-UHFFFAOYSA-N 2 1 279.775 2.006 20 0 CEADMP Cc1ccoc1C[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922388274 643056669 /nfs/dbraw/zinc/05/66/69/643056669.db2.gz OKRQKTHBOFYZNN-SRABZTEZSA-N 2 1 292.423 2.157 20 0 CEADMP CC(C)CCC[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922385847 643057419 /nfs/dbraw/zinc/05/74/19/643057419.db2.gz CAQFBFWSKVOPJP-NCOADZHNSA-N 2 1 282.472 2.492 20 0 CEADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccs1)C2 ZINC000922385410 643057499 /nfs/dbraw/zinc/05/74/99/643057499.db2.gz BGXISFZKGQTZAF-KLHDSHLOSA-N 2 1 294.464 2.317 20 0 CEADMP CC1(C)OC[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)O1 ZINC000851860031 643195940 /nfs/dbraw/zinc/19/59/40/643195940.db2.gz FOGNSCORRNOSJF-KBMXLJTQSA-N 2 1 294.439 2.087 20 0 CEADMP C[N@H+]1CCCC12CCN(CC[C@H]1COC(C)(C)O1)CC2 ZINC000851891019 643211399 /nfs/dbraw/zinc/21/13/99/643211399.db2.gz ZTIUCXQSQJKNMW-AWEZNQCLSA-N 2 1 282.428 2.088 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CC[C@H]1COC(C)(C)O1)CC2 ZINC000851891019 643211406 /nfs/dbraw/zinc/21/14/06/643211406.db2.gz ZTIUCXQSQJKNMW-AWEZNQCLSA-N 2 1 282.428 2.088 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CC[C@H]1COC(C)(C)O1)CC2 ZINC000851891019 643211413 /nfs/dbraw/zinc/21/14/13/643211413.db2.gz ZTIUCXQSQJKNMW-AWEZNQCLSA-N 2 1 282.428 2.088 20 0 CEADMP CCO[C@@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)C[NH+](C)C ZINC000922753861 643244827 /nfs/dbraw/zinc/24/48/27/643244827.db2.gz RUPDUZLCIHJJEM-GJZGRUSLSA-N 2 1 284.444 2.035 20 0 CEADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)c1ccc(F)cc1)C2 ZINC000852109185 643311446 /nfs/dbraw/zinc/31/14/46/643311446.db2.gz XMUMNFINWRFTOE-IRXDYDNUSA-N 2 1 292.398 2.277 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)c1ccc(F)cc1)C2 ZINC000852109185 643311451 /nfs/dbraw/zinc/31/14/51/643311451.db2.gz XMUMNFINWRFTOE-IRXDYDNUSA-N 2 1 292.398 2.277 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)c1ccc(F)cc1)C2 ZINC000852109185 643311461 /nfs/dbraw/zinc/31/14/61/643311461.db2.gz XMUMNFINWRFTOE-IRXDYDNUSA-N 2 1 292.398 2.277 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)c1ccc(F)cc1)C2 ZINC000852109185 643311466 /nfs/dbraw/zinc/31/14/66/643311466.db2.gz XMUMNFINWRFTOE-IRXDYDNUSA-N 2 1 292.398 2.277 20 0 CEADMP COCC[N@@H+](Cc1csc(C)n1)CC1CC[NH+](C)CC1 ZINC000877665001 650840555 /nfs/dbraw/zinc/84/05/55/650840555.db2.gz BRACABCPSIXZBH-UHFFFAOYSA-N 2 1 297.468 2.242 20 0 CEADMP COCC[N@H+](Cc1csc(C)n1)CC1CC[NH+](C)CC1 ZINC000877665001 650840559 /nfs/dbraw/zinc/84/05/59/650840559.db2.gz BRACABCPSIXZBH-UHFFFAOYSA-N 2 1 297.468 2.242 20 0 CEADMP C[C@H]1CCCC[C@@H]1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669772 650842515 /nfs/dbraw/zinc/84/25/15/650842515.db2.gz YSOORLGGVPSEIF-BSDSXHPESA-N 2 1 295.515 2.484 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CC2(Cl)Cl)CCO1 ZINC000852760226 643540420 /nfs/dbraw/zinc/54/04/20/643540420.db2.gz CMLOOHQKYUUGGL-NWDGAFQWSA-N 2 1 295.254 2.223 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CC2(Cl)Cl)CCO1 ZINC000852760226 643540428 /nfs/dbraw/zinc/54/04/28/643540428.db2.gz CMLOOHQKYUUGGL-NWDGAFQWSA-N 2 1 295.254 2.223 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CC2(Cl)Cl)CCO1 ZINC000852760227 643540952 /nfs/dbraw/zinc/54/09/52/643540952.db2.gz CMLOOHQKYUUGGL-RYUDHWBXSA-N 2 1 295.254 2.223 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CC2(Cl)Cl)CCO1 ZINC000852760227 643540955 /nfs/dbraw/zinc/54/09/55/643540955.db2.gz CMLOOHQKYUUGGL-RYUDHWBXSA-N 2 1 295.254 2.223 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000852762521 643541850 /nfs/dbraw/zinc/54/18/50/643541850.db2.gz NWNAEBQCUPXVTE-IYBDPMFKSA-N 2 1 266.429 2.398 20 0 CEADMP CC(C)(C)c1nnc2n1CC[N@@H+](CCCCCCC[NH3+])C2 ZINC000852761845 643542466 /nfs/dbraw/zinc/54/24/66/643542466.db2.gz CNALEJAUBQVPPP-UHFFFAOYSA-N 2 1 293.459 2.300 20 0 CEADMP CC(C)(C)c1nnc2n1CC[N@H+](CCCCCCC[NH3+])C2 ZINC000852761845 643542472 /nfs/dbraw/zinc/54/24/72/643542472.db2.gz CNALEJAUBQVPPP-UHFFFAOYSA-N 2 1 293.459 2.300 20 0 CEADMP C[C@H]1CC[N@@H+](CCC2SCCS2)C[C@@H]1C[NH3+] ZINC000853023494 643625508 /nfs/dbraw/zinc/62/55/08/643625508.db2.gz YZFZPOTYQLBUGQ-QWRGUYRKSA-N 2 1 260.472 2.099 20 0 CEADMP Cc1ccc([C@@H](O)C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000923292797 643645024 /nfs/dbraw/zinc/64/50/24/643645024.db2.gz MXDQQLGZAZPBFX-SFHVURJKSA-N 2 1 288.435 2.492 20 0 CEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000923300300 643645402 /nfs/dbraw/zinc/64/54/02/643645402.db2.gz QOUDTSRNYXGZEC-UONOGXRCSA-N 2 1 288.794 2.476 20 0 CEADMP O[C@@H](Cc1ccccc1)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000923292665 643645525 /nfs/dbraw/zinc/64/55/25/643645525.db2.gz YTUNEQDWDYLHNE-SFHVURJKSA-N 2 1 288.435 2.054 20 0 CEADMP CC(C)[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCCC1 ZINC000923307669 643649031 /nfs/dbraw/zinc/64/90/31/643649031.db2.gz WTMYEUHHVYAIDG-AWEZNQCLSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H](C)c1cccc(O)c1 ZINC000923306225 643652340 /nfs/dbraw/zinc/65/23/40/643652340.db2.gz IJNKYXTWWMTGDM-CJNGLKHVSA-N 2 1 290.407 2.154 20 0 CEADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCc3cc(-c4ccccc4)oc3C2)C1 ZINC000923314266 643652850 /nfs/dbraw/zinc/65/28/50/643652850.db2.gz FNZQBAAJWUGKTI-JYJNAYRXSA-N 2 1 298.386 2.155 20 0 CEADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCc3cc(-c4ccccc4)oc3C2)C1 ZINC000923314266 643652854 /nfs/dbraw/zinc/65/28/54/643652854.db2.gz FNZQBAAJWUGKTI-JYJNAYRXSA-N 2 1 298.386 2.155 20 0 CEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923316468 643654373 /nfs/dbraw/zinc/65/43/73/643654373.db2.gz UZOCRHNLUMZOHE-HUUCEWRRSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H]1c2c(F)cccc2CC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315274 643654542 /nfs/dbraw/zinc/65/45/42/643654542.db2.gz FCEBPQPOKCBWHU-TZMCWYRMSA-N 2 1 290.382 2.123 20 0 CEADMP CC(C)[C@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923316466 643654575 /nfs/dbraw/zinc/65/45/75/643654575.db2.gz UZOCRHNLUMZOHE-GJZGRUSLSA-N 2 1 266.429 2.123 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc(F)cc1 ZINC000923329980 643661377 /nfs/dbraw/zinc/66/13/77/643661377.db2.gz TXURBLSYMUARNP-WTXIUTQJSA-N 2 1 278.371 2.203 20 0 CEADMP CN(CC[N@@H+](C)CCC[NH2+]C1CC1)c1ccccc1 ZINC000923321519 643662491 /nfs/dbraw/zinc/66/24/91/643662491.db2.gz GRJCMIOMAAYSRY-UHFFFAOYSA-N 2 1 261.413 2.197 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C ZINC000923324758 643663317 /nfs/dbraw/zinc/66/33/17/643663317.db2.gz KDPDMYYJYXSOOJ-ZCRFILTFSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC000923324758 643663320 /nfs/dbraw/zinc/66/33/20/643663320.db2.gz KDPDMYYJYXSOOJ-ZCRFILTFSA-N 3 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1C ZINC000923324758 643663321 /nfs/dbraw/zinc/66/33/21/643663321.db2.gz KDPDMYYJYXSOOJ-ZCRFILTFSA-N 3 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH+]1C ZINC000923324758 643663324 /nfs/dbraw/zinc/66/33/24/643663324.db2.gz KDPDMYYJYXSOOJ-ZCRFILTFSA-N 3 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH+]1C ZINC000923324758 643663326 /nfs/dbraw/zinc/66/33/26/643663326.db2.gz KDPDMYYJYXSOOJ-ZCRFILTFSA-N 3 1 279.472 2.322 20 0 CEADMP [NH3+]C1(C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CCC1 ZINC000923333069 643665954 /nfs/dbraw/zinc/66/59/54/643665954.db2.gz TWABXEJSEYLJEK-GFCCVEGCSA-N 2 1 288.313 2.210 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000923335245 643667331 /nfs/dbraw/zinc/66/73/31/643667331.db2.gz OGKNTFTUONZQHG-IUODEOHRSA-N 2 1 284.350 2.072 20 0 CEADMP C[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000923343367 643675275 /nfs/dbraw/zinc/67/52/75/643675275.db2.gz AIIOKCBTEMZCDS-UAGQMJEPSA-N 2 1 276.424 2.039 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923358527 643677019 /nfs/dbraw/zinc/67/70/19/643677019.db2.gz HXHQVIRGDFSDFC-QLFBSQMISA-N 2 1 254.418 2.002 20 0 CEADMP O[C@H](C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000923364204 643679368 /nfs/dbraw/zinc/67/93/68/643679368.db2.gz JMAAEOZXRHCGLP-BHYGNILZSA-N 2 1 292.398 2.323 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000923363483 643679953 /nfs/dbraw/zinc/67/99/53/643679953.db2.gz ZJAQZRKAXDXWHF-IXDOHACOSA-N 2 1 274.408 2.042 20 0 CEADMP C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923365052 643681256 /nfs/dbraw/zinc/68/12/56/643681256.db2.gz RSBPKBOROMPJDF-GPQQEZGISA-N 3 1 291.483 2.371 20 0 CEADMP CC[C@H](C)[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)OC ZINC000923374284 643685374 /nfs/dbraw/zinc/68/53/74/643685374.db2.gz UWDHBKMWGIWQBD-AVOUXACISA-N 2 1 282.428 2.181 20 0 CEADMP CC(C)CC[C@@H](O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000923374937 643685550 /nfs/dbraw/zinc/68/55/50/643685550.db2.gz WGRIDZNKIDCAQX-HUUCEWRRSA-N 2 1 256.434 2.281 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923391262 643690476 /nfs/dbraw/zinc/69/04/76/643690476.db2.gz XECFDWLDUQTIEY-DLBZAZTESA-N 2 1 282.472 2.495 20 0 CEADMP O=C1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc2N1 ZINC000923390831 643690613 /nfs/dbraw/zinc/69/06/13/643690613.db2.gz WDPGGJRXFWZKID-VHRNVKJDSA-N 2 1 299.418 2.361 20 0 CEADMP O=C1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc2N1 ZINC000923390831 643690617 /nfs/dbraw/zinc/69/06/17/643690617.db2.gz WDPGGJRXFWZKID-VHRNVKJDSA-N 2 1 299.418 2.361 20 0 CEADMP CCCCCC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923398515 643697223 /nfs/dbraw/zinc/69/72/23/643697223.db2.gz KRFYYCIXBZETKB-ZIAGYGMSSA-N 2 1 254.418 2.192 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000923409813 643700092 /nfs/dbraw/zinc/70/00/92/643700092.db2.gz GCKYQKFPWACDHN-DLBZAZTESA-N 2 1 276.424 2.183 20 0 CEADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923482324 643732214 /nfs/dbraw/zinc/73/22/14/643732214.db2.gz DMZTUKPNUMVMAR-LLVKDONJSA-N 2 1 292.814 2.397 20 0 CEADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923486286 643733668 /nfs/dbraw/zinc/73/36/68/643733668.db2.gz DZBHCTOPENMJOQ-OLZOCXBDSA-N 2 1 286.379 2.468 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@@H]1C[NH3+] ZINC000923496154 643734038 /nfs/dbraw/zinc/73/40/38/643734038.db2.gz HGSFNUWEZPFEBX-GOEBONIOSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)CC[C@H]1C[NH3+] ZINC000923489307 643735027 /nfs/dbraw/zinc/73/50/27/643735027.db2.gz ILXRRAMONULMGT-KGLIPLIRSA-N 2 1 274.408 2.176 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2F)CC[C@H]1C[NH3+] ZINC000923501832 643741749 /nfs/dbraw/zinc/74/17/49/643741749.db2.gz WCRYFRBPJJPCAQ-MNOVXSKESA-N 2 1 254.324 2.382 20 0 CEADMP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)no1 ZINC000923503372 643742598 /nfs/dbraw/zinc/74/25/98/643742598.db2.gz KDOBOIUDMVAMHM-CYBMUJFWSA-N 2 1 263.385 2.276 20 0 CEADMP c1nnsc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923505300 643743489 /nfs/dbraw/zinc/74/34/89/643743489.db2.gz AHMCMRDRSJQNDB-LBPRGKRZSA-N 2 1 280.441 2.140 20 0 CEADMP Clc1ccsc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518246 643748519 /nfs/dbraw/zinc/74/85/19/643748519.db2.gz BUHHVSBNAGDORI-VHSXEESVSA-N 2 1 256.802 2.443 20 0 CEADMP Clc1ccsc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518246 643748523 /nfs/dbraw/zinc/74/85/23/643748523.db2.gz BUHHVSBNAGDORI-VHSXEESVSA-N 2 1 256.802 2.443 20 0 CEADMP CCOC(=O)CCCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533328 643754446 /nfs/dbraw/zinc/75/44/46/643754446.db2.gz KFLKSBYWXXJJQQ-INIZCTEOSA-N 2 1 282.428 2.328 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533328 643754447 /nfs/dbraw/zinc/75/44/47/643754447.db2.gz KFLKSBYWXXJJQQ-INIZCTEOSA-N 2 1 282.428 2.328 20 0 CEADMP [NH3+]CCCCCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536033 643754742 /nfs/dbraw/zinc/75/47/42/643754742.db2.gz MDKNBQGSTUXNKC-OAHLLOKOSA-N 3 1 253.434 2.114 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536033 643754745 /nfs/dbraw/zinc/75/47/45/643754745.db2.gz MDKNBQGSTUXNKC-OAHLLOKOSA-N 3 1 253.434 2.114 20 0 CEADMP COc1ccc(OCC[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877740632 650884462 /nfs/dbraw/zinc/88/44/62/650884462.db2.gz KPGNNLQTSLUEOG-YOEHRIQHSA-N 2 1 290.407 2.100 20 0 CEADMP COc1ccc(OCC[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877740632 650884465 /nfs/dbraw/zinc/88/44/65/650884465.db2.gz KPGNNLQTSLUEOG-YOEHRIQHSA-N 2 1 290.407 2.100 20 0 CEADMP COc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877740632 650884468 /nfs/dbraw/zinc/88/44/68/650884468.db2.gz KPGNNLQTSLUEOG-YOEHRIQHSA-N 2 1 290.407 2.100 20 0 CEADMP COc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877740632 650884471 /nfs/dbraw/zinc/88/44/71/650884471.db2.gz KPGNNLQTSLUEOG-YOEHRIQHSA-N 2 1 290.407 2.100 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)C3CC3)C2)CC1 ZINC000838813063 644027376 /nfs/dbraw/zinc/02/73/76/644027376.db2.gz UOJVPKFWFXANAJ-DOTOQJQBSA-N 2 1 280.456 2.201 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)C2CC2)C1 ZINC000838845831 644043586 /nfs/dbraw/zinc/04/35/86/644043586.db2.gz WNDQYPODDHXSQK-INMHGKMJSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)C2CC2)C1 ZINC000838845831 644043588 /nfs/dbraw/zinc/04/35/88/644043588.db2.gz WNDQYPODDHXSQK-INMHGKMJSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000838845831 644043589 /nfs/dbraw/zinc/04/35/89/644043589.db2.gz WNDQYPODDHXSQK-INMHGKMJSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc4n[nH]cc43)CC[C@H]21 ZINC000877742452 650887249 /nfs/dbraw/zinc/88/72/49/650887249.db2.gz ZCENDCBSVWPGTL-XJKSGUPXSA-N 2 1 270.380 2.089 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc4n[nH]cc43)CC[C@H]21 ZINC000877742452 650887250 /nfs/dbraw/zinc/88/72/50/650887250.db2.gz ZCENDCBSVWPGTL-XJKSGUPXSA-N 2 1 270.380 2.089 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc4n[nH]cc43)CC[C@H]21 ZINC000877742452 650887252 /nfs/dbraw/zinc/88/72/52/650887252.db2.gz ZCENDCBSVWPGTL-XJKSGUPXSA-N 2 1 270.380 2.089 20 0 CEADMP Cc1ccc(NC2CC[NH+](C3CC3)CC2)c(N(C)C)[nH+]1 ZINC000838983507 644109805 /nfs/dbraw/zinc/10/98/05/644109805.db2.gz UZJKFBKTTOIBOD-UHFFFAOYSA-N 2 1 274.412 2.495 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnn(-c3ccccc3)n2)C1 ZINC000839183199 644182655 /nfs/dbraw/zinc/18/26/55/644182655.db2.gz UVCMJRIIDLVJKD-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000855288397 644295375 /nfs/dbraw/zinc/29/53/75/644295375.db2.gz IKDQSOUSOYYDRL-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855288397 644295380 /nfs/dbraw/zinc/29/53/80/644295380.db2.gz IKDQSOUSOYYDRL-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000855288397 644295382 /nfs/dbraw/zinc/29/53/82/644295382.db2.gz IKDQSOUSOYYDRL-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](CNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000756960750 644713585 /nfs/dbraw/zinc/71/35/85/644713585.db2.gz DKDIAAODRNKPHN-AWEZNQCLSA-N 2 1 289.427 2.219 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000756960750 644713586 /nfs/dbraw/zinc/71/35/86/644713586.db2.gz DKDIAAODRNKPHN-AWEZNQCLSA-N 2 1 289.427 2.219 20 0 CEADMP CCOc1cncc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000856771707 644717788 /nfs/dbraw/zinc/71/77/88/644717788.db2.gz KRZHBMBVRLWZMO-GJZGRUSLSA-N 2 1 277.412 2.443 20 0 CEADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC000757041476 644722498 /nfs/dbraw/zinc/72/24/98/644722498.db2.gz BWUCSVCXTBPIOQ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857854914 644982261 /nfs/dbraw/zinc/98/22/61/644982261.db2.gz MHABDGRHBFNHPE-CQSZACIVSA-N 2 1 273.384 2.362 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000857868928 644988900 /nfs/dbraw/zinc/98/89/00/644988900.db2.gz GMTKQGVKIGMMSP-OCCSQVGLSA-N 2 1 262.401 2.109 20 0 CEADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000857868928 644988903 /nfs/dbraw/zinc/98/89/03/644988903.db2.gz GMTKQGVKIGMMSP-OCCSQVGLSA-N 2 1 262.401 2.109 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000857868928 644988910 /nfs/dbraw/zinc/98/89/10/644988910.db2.gz GMTKQGVKIGMMSP-OCCSQVGLSA-N 2 1 262.401 2.109 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858127196 645068990 /nfs/dbraw/zinc/06/89/90/645068990.db2.gz CCUHQSODAZSLJW-AWEZNQCLSA-N 2 1 265.376 2.431 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858127196 645068993 /nfs/dbraw/zinc/06/89/93/645068993.db2.gz CCUHQSODAZSLJW-AWEZNQCLSA-N 2 1 265.376 2.431 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@]2(O)CCc3ccccc32)CC1(C)C ZINC000858153414 645075846 /nfs/dbraw/zinc/07/58/46/645075846.db2.gz LIZWXEXIUISBGS-QAPCUYQASA-N 2 1 288.435 2.283 20 0 CEADMP CO[C@H]1C[C@@H](C[N@@H+](C)C2CC[NH+](C(C)C)CC2)C1 ZINC000878035057 650979470 /nfs/dbraw/zinc/97/94/70/650979470.db2.gz XHWGAJGJQJWYDM-OTVXOJSOSA-N 2 1 254.418 2.216 20 0 CEADMP CC(C)[C@H](O)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000878048705 650983346 /nfs/dbraw/zinc/98/33/46/650983346.db2.gz WBCLBPFGDYUOSO-MRXNPFEDSA-N 2 1 270.461 2.446 20 0 CEADMP CC[N@@H+](CCNc1cc[nH+]c(CO)c1)CCC(F)(F)F ZINC000858514554 645187942 /nfs/dbraw/zinc/18/79/42/645187942.db2.gz UWZVBHRPWXZMCF-UHFFFAOYSA-N 2 1 291.317 2.260 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)Nc1cc[nH+]c(CO)c1 ZINC000858550692 645199029 /nfs/dbraw/zinc/19/90/29/645199029.db2.gz NJIHMIPVQKRKOA-LBPRGKRZSA-N 2 1 251.374 2.106 20 0 CEADMP CCOC(=O)CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214174 645421468 /nfs/dbraw/zinc/42/14/68/645421468.db2.gz FHTUDUXYMCBSGG-UHFFFAOYSA-N 2 1 278.396 2.133 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cccnc2N)cc1 ZINC000859212460 645422132 /nfs/dbraw/zinc/42/21/32/645422132.db2.gz LCNBMUXHKUGXFA-UHFFFAOYSA-N 2 1 284.407 2.357 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccnc2N)cc1 ZINC000859212460 645422139 /nfs/dbraw/zinc/42/21/39/645422139.db2.gz LCNBMUXHKUGXFA-UHFFFAOYSA-N 2 1 284.407 2.357 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC[C@H]2CCOC2=O)cc1 ZINC000859214278 645423631 /nfs/dbraw/zinc/42/36/31/645423631.db2.gz HUCWAOLWQOGPKF-INIZCTEOSA-N 2 1 290.407 2.133 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763675776 645566386 /nfs/dbraw/zinc/56/63/86/645566386.db2.gz OZNUMKJACGWBDG-OAHLLOKOSA-N 2 1 294.439 2.134 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc(F)c3)CC[C@H]21 ZINC000764683043 645674475 /nfs/dbraw/zinc/67/44/75/645674475.db2.gz KOOQVLZEJNCRAC-OIISXLGYSA-N 2 1 292.398 2.275 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc(F)c3)CC[C@H]21 ZINC000764683043 645674481 /nfs/dbraw/zinc/67/44/81/645674481.db2.gz KOOQVLZEJNCRAC-OIISXLGYSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3cccc(F)c3)CC[C@H]21 ZINC000764683043 645674484 /nfs/dbraw/zinc/67/44/84/645674484.db2.gz KOOQVLZEJNCRAC-OIISXLGYSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3cccc(F)c3)CC[C@H]21 ZINC000764683043 645674486 /nfs/dbraw/zinc/67/44/86/645674486.db2.gz KOOQVLZEJNCRAC-OIISXLGYSA-N 2 1 292.398 2.275 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000768840189 646171705 /nfs/dbraw/zinc/17/17/05/646171705.db2.gz ARIFACXCUBJVEN-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000768840189 646171709 /nfs/dbraw/zinc/17/17/09/646171709.db2.gz ARIFACXCUBJVEN-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000768840189 646171713 /nfs/dbraw/zinc/17/17/13/646171713.db2.gz ARIFACXCUBJVEN-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000768840189 646171714 /nfs/dbraw/zinc/17/17/14/646171714.db2.gz ARIFACXCUBJVEN-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000769514358 646280268 /nfs/dbraw/zinc/28/02/68/646280268.db2.gz JTOINWLABJCVEZ-HNNXBMFYSA-N 2 1 266.385 2.212 20 0 CEADMP CCc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)[nH]n1 ZINC000925492773 646404832 /nfs/dbraw/zinc/40/48/32/646404832.db2.gz ZRBDFCHGYPDDBQ-HOTGVXAUSA-N 2 1 276.428 2.230 20 0 CEADMP Cc1c(C[NH2+]CCCC[N@H+](C)C2CC2)ccnc1F ZINC000862389124 646431469 /nfs/dbraw/zinc/43/14/69/646431469.db2.gz OIQDQYSFSLYLLH-UHFFFAOYSA-N 2 1 265.376 2.493 20 0 CEADMP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CO2 ZINC000863543494 646751997 /nfs/dbraw/zinc/75/19/97/646751997.db2.gz ZYJNFGQNDLTBQG-HOCLYGCPSA-N 2 1 272.392 2.254 20 0 CEADMP Clc1cccnc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000863543094 646752062 /nfs/dbraw/zinc/75/20/62/646752062.db2.gz VPIMABYZKYGALP-UHFFFAOYSA-N 2 1 265.788 2.311 20 0 CEADMP CC[N@@H+](CCC1CCN([C@@H]2CCOC2=O)CC1)CC(C)C ZINC000773737312 646771205 /nfs/dbraw/zinc/77/12/05/646771205.db2.gz RYKNYYLOAWIAAD-MRXNPFEDSA-N 2 1 296.455 2.382 20 0 CEADMP CC[N@H+](CCC1CC[NH+]([C@@H]2CCOC2=O)CC1)CC(C)C ZINC000773737312 646771209 /nfs/dbraw/zinc/77/12/09/646771209.db2.gz RYKNYYLOAWIAAD-MRXNPFEDSA-N 2 1 296.455 2.382 20 0 CEADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCOC2=O)CC1)CC(C)C ZINC000773737312 646771214 /nfs/dbraw/zinc/77/12/14/646771214.db2.gz RYKNYYLOAWIAAD-MRXNPFEDSA-N 2 1 296.455 2.382 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCO1 ZINC000863650932 646777101 /nfs/dbraw/zinc/77/71/01/646777101.db2.gz FIGATEHIHWPAIX-XUWVNRHRSA-N 2 1 266.429 2.123 20 0 CEADMP Cc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])c(-c2ccnn2C)c1 ZINC000863651729 646777125 /nfs/dbraw/zinc/77/71/25/646777125.db2.gz LILXJWQEDYEZSZ-ZDUSSCGKSA-N 2 1 272.396 2.175 20 0 CEADMP Cc1ccc(C[N@H+](C)C[C@H](C)[NH3+])c(-c2ccnn2C)c1 ZINC000863651729 646777126 /nfs/dbraw/zinc/77/71/26/646777126.db2.gz LILXJWQEDYEZSZ-ZDUSSCGKSA-N 2 1 272.396 2.175 20 0 CEADMP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000864059744 646877105 /nfs/dbraw/zinc/87/71/05/646877105.db2.gz PSUKNYXIQIMOMS-AWEZNQCLSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000775360851 646945938 /nfs/dbraw/zinc/94/59/38/646945938.db2.gz AVIBJCZQQDIMJD-HZSPNIEDSA-N 2 1 286.510 2.440 20 0 CEADMP CCC(CC)NC(=[NH2+])NC[C@H]1CCCC[N@H+]1CC ZINC000864458544 647013099 /nfs/dbraw/zinc/01/30/99/647013099.db2.gz NHVSKRCSOBCAKN-CYBMUJFWSA-N 2 1 254.422 2.163 20 0 CEADMP CC1(C)CC[C@@H](O)[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000865699601 647430336 /nfs/dbraw/zinc/43/03/36/647430336.db2.gz CPKNOUIBVUKKOS-BYNSBNAKSA-N 2 1 266.429 2.142 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC12CCOCC2 ZINC000865777786 647460458 /nfs/dbraw/zinc/46/04/58/647460458.db2.gz LKPYXVJROLOLFH-ARFHVFGLSA-N 2 1 278.440 2.410 20 0 CEADMP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]cc3Br)CC[C@H]21 ZINC000866208138 647671651 /nfs/dbraw/zinc/67/16/51/647671651.db2.gz KIACARNIQMXJSI-ZYHUDNBSSA-N 2 1 296.212 2.375 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]cc3Br)CC[C@H]21 ZINC000866208138 647671656 /nfs/dbraw/zinc/67/16/56/647671656.db2.gz KIACARNIQMXJSI-ZYHUDNBSSA-N 2 1 296.212 2.375 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2cccnc2)C1 ZINC000866237771 647686525 /nfs/dbraw/zinc/68/65/25/647686525.db2.gz LJZIMHNFBBDJSH-ZBFHGGJFSA-N 2 1 261.413 2.334 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000783241319 647699724 /nfs/dbraw/zinc/69/97/24/647699724.db2.gz UWGQIPOYPVLICA-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1cccc(C[C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000866261479 647701915 /nfs/dbraw/zinc/70/19/15/647701915.db2.gz UBNJEEGMSOCVCB-JQHSSLGASA-N 2 1 288.435 2.379 20 0 CEADMP Cc1cccc(C[C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000866261479 647701920 /nfs/dbraw/zinc/70/19/20/647701920.db2.gz UBNJEEGMSOCVCB-JQHSSLGASA-N 2 1 288.435 2.379 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CCOCC1 ZINC000866267039 647706701 /nfs/dbraw/zinc/70/67/01/647706701.db2.gz YSEAQZIHGHNRLT-HOTGVXAUSA-N 2 1 296.455 2.035 20 0 CEADMP CS[C@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000866488451 647803047 /nfs/dbraw/zinc/80/30/47/647803047.db2.gz NYXNQLDDUPRCHW-KKUMJFAQSA-N 2 1 284.469 2.113 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H](O)C2CCCC2)[C@H]2CCC[C@H]21 ZINC000866638395 647851711 /nfs/dbraw/zinc/85/17/11/647851711.db2.gz HJBZGHXTKNEQSK-TWMKSMIVSA-N 2 1 280.456 2.390 20 0 CEADMP c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c2c(c1)COCC2 ZINC000866660001 647858448 /nfs/dbraw/zinc/85/84/48/647858448.db2.gz CUEBEAUUSPGVDN-UHFFFAOYSA-N 2 1 286.419 2.335 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784574775 647864603 /nfs/dbraw/zinc/86/46/03/647864603.db2.gz JNWMHPVUUBGWKN-HZPDHXFCSA-N 2 1 296.455 2.336 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784574775 647864605 /nfs/dbraw/zinc/86/46/05/647864605.db2.gz JNWMHPVUUBGWKN-HZPDHXFCSA-N 2 1 296.455 2.336 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784574775 647864612 /nfs/dbraw/zinc/86/46/12/647864612.db2.gz JNWMHPVUUBGWKN-HZPDHXFCSA-N 2 1 296.455 2.336 20 0 CEADMP O=C1CC[N@@H+](CCCC2CC[NH2+]CC2)CCCCCCN1 ZINC000866684087 647867614 /nfs/dbraw/zinc/86/76/14/647867614.db2.gz IKBFXWPIYHVKHO-UHFFFAOYSA-N 2 1 295.471 2.149 20 0 CEADMP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708577 647878637 /nfs/dbraw/zinc/87/86/37/647878637.db2.gz RUWNBRIMDBFVRZ-IUODEOHRSA-N 2 1 270.417 2.025 20 0 CEADMP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708577 647878639 /nfs/dbraw/zinc/87/86/39/647878639.db2.gz RUWNBRIMDBFVRZ-IUODEOHRSA-N 2 1 270.417 2.025 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709659 647879368 /nfs/dbraw/zinc/87/93/68/647879368.db2.gz UFDCFNFKZAWWRQ-GZBFAFLISA-N 2 1 254.418 2.108 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc2c1COC2 ZINC000866717617 647880682 /nfs/dbraw/zinc/88/06/82/647880682.db2.gz KFZUKZGCYJPDLN-YOEHRIQHSA-N 2 1 272.392 2.291 20 0 CEADMP O=C(OCC[NH+]1CCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000786893467 648053990 /nfs/dbraw/zinc/05/39/90/648053990.db2.gz WCQKYMXYHMIETH-MRXNPFEDSA-N 2 1 294.439 2.423 20 0 CEADMP CCc1noc(C)c1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000788257513 648166673 /nfs/dbraw/zinc/16/66/73/648166673.db2.gz PCJAMBDQSWXALG-SNVBAGLBSA-N 2 1 262.357 2.172 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000788504150 648195634 /nfs/dbraw/zinc/19/56/34/648195634.db2.gz BGSILSLJVCUSEN-LBPRGKRZSA-N 2 1 251.374 2.168 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)nn2C)C1 ZINC000793525564 648770267 /nfs/dbraw/zinc/77/02/67/648770267.db2.gz VZKJMNWQQFYJSE-KGLIPLIRSA-N 2 1 264.417 2.111 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)nn2C)C1 ZINC000793525564 648770269 /nfs/dbraw/zinc/77/02/69/648770269.db2.gz VZKJMNWQQFYJSE-KGLIPLIRSA-N 2 1 264.417 2.111 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC000793828115 648802859 /nfs/dbraw/zinc/80/28/59/648802859.db2.gz JVFCKOYIAIPXSE-OAHLLOKOSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784390 649183371 /nfs/dbraw/zinc/18/33/71/649183371.db2.gz CNFDDUDJNJNEPV-YHWZYXNKSA-N 2 1 253.390 2.404 20 0 CEADMP CC(C)CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784390 649183376 /nfs/dbraw/zinc/18/33/76/649183376.db2.gz CNFDDUDJNJNEPV-YHWZYXNKSA-N 2 1 253.390 2.404 20 0 CEADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000872065875 649260074 /nfs/dbraw/zinc/26/00/74/649260074.db2.gz HZAPZFSBUVIJRI-BBWFWOEESA-N 2 1 298.471 2.282 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC[N@@H+]1C ZINC000872123073 649284602 /nfs/dbraw/zinc/28/46/02/649284602.db2.gz LWSCFCCWHXRAQL-PWSUYJOCSA-N 2 1 275.352 2.106 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC[N@H+]1C ZINC000872123073 649284604 /nfs/dbraw/zinc/28/46/04/649284604.db2.gz LWSCFCCWHXRAQL-PWSUYJOCSA-N 2 1 275.352 2.106 20 0 CEADMP Cc1conc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000872143628 649293203 /nfs/dbraw/zinc/29/32/03/649293203.db2.gz VAGNWAGDUUKTNL-ZIAGYGMSSA-N 2 1 263.385 2.195 20 0 CEADMP C([C@@H]1CC2(CCC2)CO1)[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000872143685 649293858 /nfs/dbraw/zinc/29/38/58/649293858.db2.gz VYPHYPMVTWSFRD-OWCLPIDISA-N 2 1 278.440 2.410 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CC3(CCC3)CO1)CC[NH2+]CC2 ZINC000872144099 649293889 /nfs/dbraw/zinc/29/38/89/649293889.db2.gz CHYOISGVIJRIPI-HUUCEWRRSA-N 2 1 278.440 2.410 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000872145153 649295671 /nfs/dbraw/zinc/29/56/71/649295671.db2.gz NEYCBBVXPAXJOI-CZUORRHYSA-N 2 1 268.445 2.498 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000872145184 649295804 /nfs/dbraw/zinc/29/58/04/649295804.db2.gz PRHRPMUOGZPBRY-CAOSSQGBSA-N 2 1 296.455 2.162 20 0 CEADMP COc1cc2c(cc1OC)[C@@H](C)[N@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000872154755 649298493 /nfs/dbraw/zinc/29/84/93/649298493.db2.gz ADTBYRTZVIIUBT-OLZOCXBDSA-N 2 1 290.407 2.232 20 0 CEADMP COc1cc2c(cc1OC)[C@@H](C)[N@@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000872154755 649298495 /nfs/dbraw/zinc/29/84/95/649298495.db2.gz ADTBYRTZVIIUBT-OLZOCXBDSA-N 2 1 290.407 2.232 20 0 CEADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157049 649299704 /nfs/dbraw/zinc/29/97/04/649299704.db2.gz NFLVANBGPCAWLU-IIAWOOMASA-N 2 1 295.471 2.083 20 0 CEADMP CN1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000872157838 649300589 /nfs/dbraw/zinc/30/05/89/649300589.db2.gz RSOMMRPMVMHFAC-ROUUACIJSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000872157838 649300591 /nfs/dbraw/zinc/30/05/91/649300591.db2.gz RSOMMRPMVMHFAC-ROUUACIJSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000872157838 649300593 /nfs/dbraw/zinc/30/05/93/649300593.db2.gz RSOMMRPMVMHFAC-ROUUACIJSA-N 2 1 285.435 2.001 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc[nH+]cc1C1CC1 ZINC000872595637 649434725 /nfs/dbraw/zinc/43/47/25/649434725.db2.gz IYLCEEHZMAHQPK-AWEZNQCLSA-N 3 1 290.455 2.065 20 0 CEADMP C[C@@H](CN(C)CCC[NH+](C)C)Nc1cc[nH+]cc1C1CC1 ZINC000872595637 649434727 /nfs/dbraw/zinc/43/47/27/649434727.db2.gz IYLCEEHZMAHQPK-AWEZNQCLSA-N 2 1 290.455 2.065 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873156993 649574149 /nfs/dbraw/zinc/57/41/49/649574149.db2.gz PPLYAJYZDDNEFK-IVMMDQJWSA-N 2 1 275.396 2.195 20 0 CEADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CCC([NH3+])CC1 ZINC000873201897 649586302 /nfs/dbraw/zinc/58/63/02/649586302.db2.gz PDCFAUXXTNBGSO-UHFFFAOYSA-N 2 1 279.453 2.096 20 0 CEADMP CC(C)(C)C[N@@H+](CCO)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204903 649588067 /nfs/dbraw/zinc/58/80/67/649588067.db2.gz KVSJIAFDUQQZEU-UHFFFAOYSA-N 2 1 282.453 2.234 20 0 CEADMP C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873205082 649588140 /nfs/dbraw/zinc/58/81/40/649588140.db2.gz KWDAAVXOQHFPEJ-WCQYABFASA-N 2 1 280.437 2.129 20 0 CEADMP c1c(C[N@@H+]2CCOC[C@H]2C2CC2)sc2c1C[NH2+]CC2 ZINC000873207268 649588752 /nfs/dbraw/zinc/58/87/52/649588752.db2.gz MPVYPQNNWUXCLR-AWEZNQCLSA-N 2 1 278.421 2.005 20 0 CEADMP c1c(C[N@H+]2CCOC[C@H]2C2CC2)sc2c1C[NH2+]CC2 ZINC000873207268 649588754 /nfs/dbraw/zinc/58/87/54/649588754.db2.gz MPVYPQNNWUXCLR-AWEZNQCLSA-N 2 1 278.421 2.005 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873212257 649591433 /nfs/dbraw/zinc/59/14/33/649591433.db2.gz XYKDPULKIGTSEO-UHFFFAOYSA-N 3 1 281.469 2.215 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000873229256 649600822 /nfs/dbraw/zinc/60/08/22/649600822.db2.gz QOWXZHJQKXUICT-QLFBSQMISA-N 2 1 282.428 2.040 20 0 CEADMP CCN(C)c1ccc(C[N@@H+](C)CCCCCC[NH3+])cn1 ZINC000873231552 649602636 /nfs/dbraw/zinc/60/26/36/649602636.db2.gz NZRHQMVCFGMBQB-UHFFFAOYSA-N 2 1 278.444 2.489 20 0 CEADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262015 649615999 /nfs/dbraw/zinc/61/59/99/649615999.db2.gz VGOJEHHAOHDYMD-LHKMKVQPSA-N 2 1 287.451 2.065 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2noc3cc(F)ccc23)C1 ZINC000873276084 649621422 /nfs/dbraw/zinc/62/14/22/649621422.db2.gz QSDHEYBRDGMURC-WDEREUQCSA-N 2 1 263.316 2.326 20 0 CEADMP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000878667942 651159087 /nfs/dbraw/zinc/15/90/87/651159087.db2.gz GGGCLUGSLBIYDU-HNNXBMFYSA-N 2 1 298.471 2.159 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000878864954 651200256 /nfs/dbraw/zinc/20/02/56/651200256.db2.gz QQBNAYMYDANKLW-QGZVFWFLSA-N 2 1 288.435 2.446 20 0 CEADMP COCC[N@@H+](CCC(=O)C(C)(C)C)CC1CC[NH+](C)CC1 ZINC000879125481 651247621 /nfs/dbraw/zinc/24/76/21/651247621.db2.gz CRGMFPWIGQPQFO-UHFFFAOYSA-N 2 1 298.471 2.282 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879406503 651298429 /nfs/dbraw/zinc/29/84/29/651298429.db2.gz OMKAZCWJYWGSML-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)CCOCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879570558 651323563 /nfs/dbraw/zinc/32/35/63/651323563.db2.gz HBXCYRPIWISYGI-CABCVRRESA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)CCOCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879570558 651323564 /nfs/dbraw/zinc/32/35/64/651323564.db2.gz HBXCYRPIWISYGI-CABCVRRESA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879570558 651323566 /nfs/dbraw/zinc/32/35/66/651323566.db2.gz HBXCYRPIWISYGI-CABCVRRESA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879570558 651323567 /nfs/dbraw/zinc/32/35/67/651323567.db2.gz HBXCYRPIWISYGI-CABCVRRESA-N 2 1 254.418 2.075 20 0 CEADMP Cc1cnn(CCCCC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000879572807 651323959 /nfs/dbraw/zinc/32/39/59/651323959.db2.gz JGDBGRQERRBCOG-IRXDYDNUSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000879572807 651323960 /nfs/dbraw/zinc/32/39/60/651323960.db2.gz JGDBGRQERRBCOG-IRXDYDNUSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879572807 651323962 /nfs/dbraw/zinc/32/39/62/651323962.db2.gz JGDBGRQERRBCOG-IRXDYDNUSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879572807 651323964 /nfs/dbraw/zinc/32/39/64/651323964.db2.gz JGDBGRQERRBCOG-IRXDYDNUSA-N 2 1 290.455 2.388 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCOc3ccc(F)cc3)CC[C@@H]21 ZINC000879571978 651324258 /nfs/dbraw/zinc/32/42/58/651324258.db2.gz MNMPINGQRUHGCO-BBRMVZONSA-N 2 1 278.371 2.231 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCOc3ccc(F)cc3)CC[C@@H]21 ZINC000879571978 651324260 /nfs/dbraw/zinc/32/42/60/651324260.db2.gz MNMPINGQRUHGCO-BBRMVZONSA-N 2 1 278.371 2.231 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCOc3ccc(F)cc3)CC[C@@H]21 ZINC000879571978 651324262 /nfs/dbraw/zinc/32/42/62/651324262.db2.gz MNMPINGQRUHGCO-BBRMVZONSA-N 2 1 278.371 2.231 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCOc3ccc(F)cc3)CC[C@@H]21 ZINC000879571978 651324264 /nfs/dbraw/zinc/32/42/64/651324264.db2.gz MNMPINGQRUHGCO-BBRMVZONSA-N 2 1 278.371 2.231 20 0 CEADMP CC(=O)Oc1ccc(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000879576909 651325188 /nfs/dbraw/zinc/32/51/88/651325188.db2.gz FDVMHWQAHJOAFO-NVXWUHKLSA-N 2 1 288.391 2.138 20 0 CEADMP CC(=O)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000879576909 651325190 /nfs/dbraw/zinc/32/51/90/651325190.db2.gz FDVMHWQAHJOAFO-NVXWUHKLSA-N 2 1 288.391 2.138 20 0 CEADMP CC(=O)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000879576909 651325193 /nfs/dbraw/zinc/32/51/93/651325193.db2.gz FDVMHWQAHJOAFO-NVXWUHKLSA-N 2 1 288.391 2.138 20 0 CEADMP CC(=O)Oc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879576909 651325195 /nfs/dbraw/zinc/32/51/95/651325195.db2.gz FDVMHWQAHJOAFO-NVXWUHKLSA-N 2 1 288.391 2.138 20 0 CEADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879576909 651325197 /nfs/dbraw/zinc/32/51/97/651325197.db2.gz FDVMHWQAHJOAFO-NVXWUHKLSA-N 2 1 288.391 2.138 20 0 CEADMP Cc1cnc(CCN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(C)c1 ZINC000879578090 651325250 /nfs/dbraw/zinc/32/52/50/651325250.db2.gz ATMIMBHZHPOWPZ-WBVHZDCISA-N 2 1 273.424 2.267 20 0 CEADMP Cc1cnc(CC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c(C)c1 ZINC000879578090 651325252 /nfs/dbraw/zinc/32/52/52/651325252.db2.gz ATMIMBHZHPOWPZ-WBVHZDCISA-N 2 1 273.424 2.267 20 0 CEADMP Cc1cnc(CC[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(C)c1 ZINC000879578090 651325254 /nfs/dbraw/zinc/32/52/54/651325254.db2.gz ATMIMBHZHPOWPZ-WBVHZDCISA-N 2 1 273.424 2.267 20 0 CEADMP Cc1cnc(CC[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c(C)c1 ZINC000879578090 651325256 /nfs/dbraw/zinc/32/52/56/651325256.db2.gz ATMIMBHZHPOWPZ-WBVHZDCISA-N 2 1 273.424 2.267 20 0 CEADMP Cc1cnc(CC[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c(C)c1 ZINC000879578090 651325257 /nfs/dbraw/zinc/32/52/57/651325257.db2.gz ATMIMBHZHPOWPZ-WBVHZDCISA-N 2 1 273.424 2.267 20 0 CEADMP Cc1cnc(CCN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(C)c1 ZINC000879578084 651325304 /nfs/dbraw/zinc/32/53/04/651325304.db2.gz ATMIMBHZHPOWPZ-DOTOQJQBSA-N 2 1 273.424 2.267 20 0 CEADMP Cc1cnc(CC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c(C)c1 ZINC000879578084 651325305 /nfs/dbraw/zinc/32/53/05/651325305.db2.gz ATMIMBHZHPOWPZ-DOTOQJQBSA-N 2 1 273.424 2.267 20 0 CEADMP Cc1cnc(CC[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(C)c1 ZINC000879578084 651325307 /nfs/dbraw/zinc/32/53/07/651325307.db2.gz ATMIMBHZHPOWPZ-DOTOQJQBSA-N 2 1 273.424 2.267 20 0 CEADMP Cc1cnc(CC[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c(C)c1 ZINC000879578084 651325308 /nfs/dbraw/zinc/32/53/08/651325308.db2.gz ATMIMBHZHPOWPZ-DOTOQJQBSA-N 2 1 273.424 2.267 20 0 CEADMP Cc1cnc(CC[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c(C)c1 ZINC000879578084 651325310 /nfs/dbraw/zinc/32/53/10/651325310.db2.gz ATMIMBHZHPOWPZ-DOTOQJQBSA-N 2 1 273.424 2.267 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582320 651327458 /nfs/dbraw/zinc/32/74/58/651327458.db2.gz RKYWLKGOMFBNKW-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582320 651327460 /nfs/dbraw/zinc/32/74/60/651327460.db2.gz RKYWLKGOMFBNKW-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879582320 651327462 /nfs/dbraw/zinc/32/74/62/651327462.db2.gz RKYWLKGOMFBNKW-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879582320 651327464 /nfs/dbraw/zinc/32/74/64/651327464.db2.gz RKYWLKGOMFBNKW-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP CC1([NH+]2CCCCC2)CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000879948276 651363882 /nfs/dbraw/zinc/36/38/82/651363882.db2.gz ANFNCGWUGSHUHB-HNNXBMFYSA-N 2 1 294.439 2.280 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880189684 651398787 /nfs/dbraw/zinc/39/87/87/651398787.db2.gz HGLHHHRRVPOKMM-NJAFHUGGSA-N 2 1 285.435 2.434 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880189684 651398788 /nfs/dbraw/zinc/39/87/88/651398788.db2.gz HGLHHHRRVPOKMM-NJAFHUGGSA-N 2 1 285.435 2.434 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880189684 651398789 /nfs/dbraw/zinc/39/87/89/651398789.db2.gz HGLHHHRRVPOKMM-NJAFHUGGSA-N 2 1 285.435 2.434 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880189684 651398790 /nfs/dbraw/zinc/39/87/90/651398790.db2.gz HGLHHHRRVPOKMM-NJAFHUGGSA-N 2 1 285.435 2.434 20 0 CEADMP C1=CCC(C[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC000880201046 651400430 /nfs/dbraw/zinc/40/04/30/651400430.db2.gz GTKBSBRLLIHTTA-MRXNPFEDSA-N 2 1 264.413 2.186 20 0 CEADMP C1=CCC(C[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC000880201046 651400431 /nfs/dbraw/zinc/40/04/31/651400431.db2.gz GTKBSBRLLIHTTA-MRXNPFEDSA-N 2 1 264.413 2.186 20 0 CEADMP CCC1([NH+]2CCCCC2)CC[NH+](CCCNC(C)=O)CC1 ZINC000880255606 651410907 /nfs/dbraw/zinc/41/09/07/651410907.db2.gz RJWYPWBOEBFSLI-UHFFFAOYSA-N 2 1 295.471 2.243 20 0 CEADMP C[C@H]1C[N@@H+](CC[C@@H]2CCOC2)CCN1c1cc[nH+]cc1 ZINC000880258319 651411254 /nfs/dbraw/zinc/41/12/54/651411254.db2.gz FUMNDZOQEURTSQ-LSDHHAIUSA-N 2 1 275.396 2.019 20 0 CEADMP COCC1(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CCC1 ZINC000880258295 651411338 /nfs/dbraw/zinc/41/13/38/651411338.db2.gz FFVYCXRJOCPOLQ-OAHLLOKOSA-N 2 1 289.423 2.409 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cncs2)CCN1c1cc[nH+]cc1 ZINC000880259109 651411838 /nfs/dbraw/zinc/41/18/38/651411838.db2.gz MUWFNFUVVSGNDI-GFCCVEGCSA-N 2 1 274.393 2.249 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cncs2)CCN1c1cc[nH+]cc1 ZINC000880259109 651411841 /nfs/dbraw/zinc/41/18/41/651411841.db2.gz MUWFNFUVVSGNDI-GFCCVEGCSA-N 2 1 274.393 2.249 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260087 651412114 /nfs/dbraw/zinc/41/21/14/651412114.db2.gz NCXXBGODTXDROM-WBVHZDCISA-N 2 1 291.439 2.389 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@]1(C)c1ccccc1)C1CC1 ZINC000880371818 651431165 /nfs/dbraw/zinc/43/11/65/651431165.db2.gz OBBBWZLZQHEDFU-MSOLQXFVSA-N 2 1 288.435 2.453 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@]1(C)c1ccccc1)C1CC1 ZINC000880371818 651431166 /nfs/dbraw/zinc/43/11/66/651431166.db2.gz OBBBWZLZQHEDFU-MSOLQXFVSA-N 2 1 288.435 2.453 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)c1ccccc1)C1CC1 ZINC000880371818 651431167 /nfs/dbraw/zinc/43/11/67/651431167.db2.gz OBBBWZLZQHEDFU-MSOLQXFVSA-N 2 1 288.435 2.453 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@]1(C)c1ccccc1)C1CC1 ZINC000880371818 651431168 /nfs/dbraw/zinc/43/11/68/651431168.db2.gz OBBBWZLZQHEDFU-MSOLQXFVSA-N 2 1 288.435 2.453 20 0 CEADMP COC(=O)/C(C)=C\C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880516980 651454114 /nfs/dbraw/zinc/45/41/14/651454114.db2.gz HDIMFPHOCQOIOP-DHDCSXOGSA-N 2 1 282.428 2.304 20 0 CEADMP Cc1cc(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)nc(C)[nH+]1 ZINC000882821938 652229460 /nfs/dbraw/zinc/22/94/60/652229460.db2.gz OWASDBFZLXQNSD-CYBMUJFWSA-N 2 1 283.379 2.204 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccns2)[C@H]2CCC[C@H]21 ZINC000883247313 652413347 /nfs/dbraw/zinc/41/33/47/652413347.db2.gz GIUDGWGZWAUUKI-HZSPNIEDSA-N 2 1 265.426 2.148 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCC3(COC3)CC2)CC[N@@H+]1C ZINC000883379052 652449868 /nfs/dbraw/zinc/44/98/68/652449868.db2.gz KZNRFQPRBUGPJW-OCCSQVGLSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCC3(COC3)CC2)CC[N@H+]1C ZINC000883379052 652449870 /nfs/dbraw/zinc/44/98/70/652449870.db2.gz KZNRFQPRBUGPJW-OCCSQVGLSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCC2(CCOCC2)O1 ZINC000883418942 652462735 /nfs/dbraw/zinc/46/27/35/652462735.db2.gz WICPDLLUFOIYGQ-LSDHHAIUSA-N 2 1 284.444 2.020 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H]1CCC2(CCOCC2)O1 ZINC000883424553 652465178 /nfs/dbraw/zinc/46/51/78/652465178.db2.gz WJTVWDLZRUVPNB-WTXIUTQJSA-N 2 1 294.439 2.059 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883427910 652465896 /nfs/dbraw/zinc/46/58/96/652465896.db2.gz GIABIYJWODZBQU-HOTGVXAUSA-N 2 1 296.455 2.166 20 0 CEADMP FC(F)(F)OCCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000883430253 652467001 /nfs/dbraw/zinc/46/70/01/652467001.db2.gz QLBXSIDBZOMHJW-NEPJUHHUSA-N 2 1 280.334 2.377 20 0 CEADMP CC1(C)CCC[C@@H](C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)O1 ZINC000883430158 652467351 /nfs/dbraw/zinc/46/73/51/652467351.db2.gz ODCMYXOFUIEQSJ-GOEBONIOSA-N 2 1 266.429 2.410 20 0 CEADMP CC1(C)CCC[C@@H](C[NH+]2CCC3(CC[NH2+]3)CC2)O1 ZINC000883432992 652468194 /nfs/dbraw/zinc/46/81/94/652468194.db2.gz GIYNHHAVWLPCOH-ZDUSSCGKSA-N 2 1 252.402 2.162 20 0 CEADMP CC1(C)C[C@H](C[NH+]2CCC3(CC[NH2+]3)CC2)C(C)(C)O1 ZINC000883433230 652468232 /nfs/dbraw/zinc/46/82/32/652468232.db2.gz LATLDWMJXCHRNR-CYBMUJFWSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1nonc1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000883441781 652471431 /nfs/dbraw/zinc/47/14/31/652471431.db2.gz XEISUNPHURDDLN-ZFWWWQNUSA-N 2 1 292.427 2.498 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000885919193 653068764 /nfs/dbraw/zinc/06/87/64/653068764.db2.gz KLMVVATYDQFJMB-CABCVRRESA-N 2 1 284.444 2.035 20 0 CEADMP CC[NH+](CC)C1CCN(c2[nH+]cnc3c2ccn3C)CC1 ZINC001165052491 722001117 /nfs/dbraw/zinc/00/11/17/722001117.db2.gz RTOHDOYVUPYAMV-UHFFFAOYSA-N 2 1 287.411 2.279 20 0 CEADMP CN1CC2(C1)CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168003801 805646988 /nfs/dbraw/zinc/64/69/88/805646988.db2.gz RBOYCRHHKCWHFD-SJPCQFCGSA-N 2 1 289.467 2.029 20 0 CEADMP CN1CC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001168003801 805646990 /nfs/dbraw/zinc/64/69/90/805646990.db2.gz RBOYCRHHKCWHFD-SJPCQFCGSA-N 2 1 289.467 2.029 20 0 CEADMP CN1CC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001168003801 805646992 /nfs/dbraw/zinc/64/69/92/805646992.db2.gz RBOYCRHHKCWHFD-SJPCQFCGSA-N 2 1 289.467 2.029 20 0 CEADMP C[NH+]1CC2(C1)CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001168003801 805646994 /nfs/dbraw/zinc/64/69/94/805646994.db2.gz RBOYCRHHKCWHFD-SJPCQFCGSA-N 2 1 289.467 2.029 20 0 CEADMP C[NH+]1CC2(C1)CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001168003801 805646998 /nfs/dbraw/zinc/64/69/98/805646998.db2.gz RBOYCRHHKCWHFD-SJPCQFCGSA-N 2 1 289.467 2.029 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715064551 814926201 /nfs/dbraw/zinc/92/62/01/814926201.db2.gz WDHDLHBIPBOVHA-BZUAXINKSA-N 2 1 266.429 2.002 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)NCC3)C1 ZINC001205018696 805954095 /nfs/dbraw/zinc/95/40/95/805954095.db2.gz YBZUVWPRQCRJKX-CQSZACIVSA-N 2 1 259.397 2.086 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001168084699 806099203 /nfs/dbraw/zinc/09/92/03/806099203.db2.gz UOPKQQQVZOVUEJ-ARILJUKYSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001168084699 806099211 /nfs/dbraw/zinc/09/92/11/806099211.db2.gz UOPKQQQVZOVUEJ-ARILJUKYSA-N 2 1 252.402 2.159 20 0 CEADMP CCCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001271836736 806111627 /nfs/dbraw/zinc/11/16/27/806111627.db2.gz CUWIQLSTSNASRZ-HZPDHXFCSA-N 2 1 297.487 2.390 20 0 CEADMP CCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088413756 806194332 /nfs/dbraw/zinc/19/43/32/806194332.db2.gz NYZDYPXDPUMXGO-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001272050114 806383428 /nfs/dbraw/zinc/38/34/28/806383428.db2.gz XZAMAKSMWWZDTP-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272050114 806383435 /nfs/dbraw/zinc/38/34/35/806383435.db2.gz XZAMAKSMWWZDTP-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001272050114 806383444 /nfs/dbraw/zinc/38/34/44/806383444.db2.gz XZAMAKSMWWZDTP-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CC1(Nc2cc(OC(F)F)cc[nH+]2)CC[NH2+]CC1 ZINC001168189436 806391579 /nfs/dbraw/zinc/39/15/79/806391579.db2.gz ROAAAANEZBAMHB-UHFFFAOYSA-N 2 1 257.284 2.237 20 0 CEADMP CC(C)[N@@H+](C1CCC([NH+](C)C)CC1)C(C)(C)CN ZINC001168316126 806650591 /nfs/dbraw/zinc/65/05/91/806650591.db2.gz WODKYDDZLJZEIS-UHFFFAOYSA-N 2 1 255.450 2.307 20 0 CEADMP CN1CC[N@H+](C2CCC([NH+](C)C)CC2)Cc2cccnc21 ZINC001168323255 806653370 /nfs/dbraw/zinc/65/33/70/806653370.db2.gz WJBMMQFGZXORNS-UHFFFAOYSA-N 2 1 288.439 2.206 20 0 CEADMP CCCO[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168323069 806653861 /nfs/dbraw/zinc/65/38/61/806653861.db2.gz PCDULHBXHIYRGY-YMAMQOFZSA-N 2 1 254.418 2.360 20 0 CEADMP COC(=O)CC[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168326540 806656101 /nfs/dbraw/zinc/65/61/01/806656101.db2.gz AQGIEQPXYYYTNY-WLYUNCDWSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](Oc3ccncc3)C2)CC1 ZINC001168326934 806656135 /nfs/dbraw/zinc/65/61/35/806656135.db2.gz FPULSYFQUDORFV-VMBOVVBDSA-N 2 1 289.423 2.408 20 0 CEADMP C[NH+](C)C1CCC([N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)CC1 ZINC001168334343 806662085 /nfs/dbraw/zinc/66/20/85/806662085.db2.gz RFXCPSZERXWPFJ-URGYJCLVSA-N 2 1 264.413 2.160 20 0 CEADMP C[C@H](CC[NH2+]Cc1cc2ccccc2[nH]c1=O)[NH+](C)C ZINC000697935324 806789139 /nfs/dbraw/zinc/78/91/39/806789139.db2.gz JOIHOIGPGKNWLJ-GFCCVEGCSA-N 2 1 273.380 2.370 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2cccc3nc[nH]c32)CC1 ZINC001142687894 806962587 /nfs/dbraw/zinc/96/25/87/806962587.db2.gz YWZYYERLWCGMEF-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP C[NH+](C)CC1(C[N@H+]2CCC[C@@H](CCO)C2)CCCC1 ZINC001208186592 802377335 /nfs/dbraw/zinc/37/73/35/802377335.db2.gz WAQNKWLFYHZUHO-HNNXBMFYSA-N 2 1 268.445 2.203 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@H](c3ccncc3)C2)C1 ZINC001208606983 802388716 /nfs/dbraw/zinc/38/87/16/802388716.db2.gz KCGVXZGQCKUAKI-ZBFHGGJFSA-N 2 1 259.397 2.213 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@H](c3ccncc3)C2)C1 ZINC001208606983 802388726 /nfs/dbraw/zinc/38/87/26/802388726.db2.gz KCGVXZGQCKUAKI-ZBFHGGJFSA-N 2 1 259.397 2.213 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@H](c3ccncc3)C2)C1 ZINC001208606983 802388736 /nfs/dbraw/zinc/38/87/36/802388736.db2.gz KCGVXZGQCKUAKI-ZBFHGGJFSA-N 2 1 259.397 2.213 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)[C@@H](C)O)CC1 ZINC001167078935 802401070 /nfs/dbraw/zinc/40/10/70/802401070.db2.gz YLAQTNOIAWMPNP-UONOGXRCSA-N 2 1 256.434 2.200 20 0 CEADMP COC(=O)[C@@H](C)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001208717182 802403235 /nfs/dbraw/zinc/40/32/35/802403235.db2.gz FDBGHXIMXKTKBD-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP CC[NH+](CC)C1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC001208881556 802427580 /nfs/dbraw/zinc/42/75/80/802427580.db2.gz YDCSKAAIKJYVCN-OAHLLOKOSA-N 2 1 252.402 2.485 20 0 CEADMP C[N@H+]1CC[C@H](Nc2ccc([C@H]3CCCC[NH+]3C)cn2)C1 ZINC001167275425 802622879 /nfs/dbraw/zinc/62/28/79/802622879.db2.gz PBDDRGPQKGIWAV-LSDHHAIUSA-N 2 1 274.412 2.354 20 0 CEADMP C[NH+]1CC[C@H](Nc2ccc([C@H]3CCCC[N@@H+]3C)cn2)C1 ZINC001167275425 802622880 /nfs/dbraw/zinc/62/28/80/802622880.db2.gz PBDDRGPQKGIWAV-LSDHHAIUSA-N 2 1 274.412 2.354 20 0 CEADMP C[NH+]1CC[C@H](Nc2ccc([C@H]3CCCC[N@H+]3C)cn2)C1 ZINC001167275425 802622884 /nfs/dbraw/zinc/62/28/84/802622884.db2.gz PBDDRGPQKGIWAV-LSDHHAIUSA-N 2 1 274.412 2.354 20 0 CEADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)CC1CCOCC1 ZINC000710853372 809996318 /nfs/dbraw/zinc/99/63/18/809996318.db2.gz UFLPQEKLLYYGPD-UHFFFAOYSA-N 2 1 280.437 2.252 20 0 CEADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@@H]2CCCOCC2)cc1 ZINC000398349774 802836740 /nfs/dbraw/zinc/83/67/40/802836740.db2.gz YYCHURRCFFKHNS-BDXSIMOUSA-N 2 1 286.419 2.276 20 0 CEADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@@H]2CCCOCC2)cc1 ZINC000398349774 802836745 /nfs/dbraw/zinc/83/67/45/802836745.db2.gz YYCHURRCFFKHNS-BDXSIMOUSA-N 2 1 286.419 2.276 20 0 CEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000382248769 802851873 /nfs/dbraw/zinc/85/18/73/802851873.db2.gz AAKKGCKUKFXJRL-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000723609297 802903002 /nfs/dbraw/zinc/90/30/02/802903002.db2.gz LSDSYZPOIWBDKI-FXUDXRNXSA-N 2 1 266.429 2.123 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723676684 802923617 /nfs/dbraw/zinc/92/36/17/802923617.db2.gz OZNOMIKEMDINGX-OAHLLOKOSA-N 2 1 262.397 2.353 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000723676605 802923805 /nfs/dbraw/zinc/92/38/05/802923805.db2.gz NWJJGOMHZVXESY-LBPRGKRZSA-N 2 1 268.788 2.390 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000723694853 802925928 /nfs/dbraw/zinc/92/59/28/802925928.db2.gz IYKLQOZCZAHGFS-LBPRGKRZSA-N 2 1 295.814 2.339 20 0 CEADMP Cc1cc(C)nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000723845249 802947847 /nfs/dbraw/zinc/94/78/47/802947847.db2.gz GNTZCJWYIBRABV-IMJJTQAJSA-N 2 1 259.397 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)C[C@H]1CC[NH3+] ZINC000723882879 802963814 /nfs/dbraw/zinc/96/38/14/802963814.db2.gz MMZKMNMGDXXJOF-MCIONIFRSA-N 2 1 252.402 2.005 20 0 CEADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCOC1 ZINC000723966661 802978041 /nfs/dbraw/zinc/97/80/41/802978041.db2.gz AJGAXTZDZXQOEV-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H]1CCCOC1 ZINC000723974544 802980235 /nfs/dbraw/zinc/98/02/35/802980235.db2.gz AETOKIMFBDSRFJ-UKRRQHHQSA-N 2 1 265.401 2.148 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCOC1 ZINC000724015491 803006980 /nfs/dbraw/zinc/00/69/80/803006980.db2.gz XMQLVGYCCZEGAO-BBRMVZONSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001266973870 803031968 /nfs/dbraw/zinc/03/19/68/803031968.db2.gz APZKZZMGJNWTMO-JKSUJKDBSA-N 2 1 295.471 2.310 20 0 CEADMP FC(F)(F)[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)O1 ZINC000721489668 803037310 /nfs/dbraw/zinc/03/73/10/803037310.db2.gz DHYAMSJTVCXMNM-LOWDOPEQSA-N 2 1 292.345 2.313 20 0 CEADMP CC(C)=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001038238130 803123915 /nfs/dbraw/zinc/12/39/15/803123915.db2.gz FSSBQEMVMHDDNF-CVEARBPZSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001038238130 803123918 /nfs/dbraw/zinc/12/39/18/803123918.db2.gz FSSBQEMVMHDDNF-CVEARBPZSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001038238130 803123922 /nfs/dbraw/zinc/12/39/22/803123922.db2.gz FSSBQEMVMHDDNF-CVEARBPZSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001038238130 803123925 /nfs/dbraw/zinc/12/39/25/803123925.db2.gz FSSBQEMVMHDDNF-CVEARBPZSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167634235 803223991 /nfs/dbraw/zinc/22/39/91/803223991.db2.gz GSRIXXDFFDGSBF-INIZCTEOSA-N 2 1 297.487 2.391 20 0 CEADMP CCOC(=O)c1cccc(NC(=[NH2+])SCC[NH3+])c1C ZINC001167912758 803226715 /nfs/dbraw/zinc/22/67/15/803226715.db2.gz RPTNXKUKHAMZNZ-UHFFFAOYSA-N 2 1 281.381 2.210 20 0 CEADMP C[NH+](C)CC[C@@H](O[C@@H]1C[NH2+]CC1(F)F)c1ccccc1 ZINC001217843821 803459312 /nfs/dbraw/zinc/45/93/12/803459312.db2.gz GVLKVNNMGPTKNC-ZIAGYGMSSA-N 2 1 284.350 2.303 20 0 CEADMP CC(F)(F)CCC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000718609401 803471623 /nfs/dbraw/zinc/47/16/23/803471623.db2.gz GFXGNTHVZHVUDU-IUCAKERBSA-N 2 1 274.277 2.491 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]CCCC(C)C)CC1 ZINC001203208030 803559153 /nfs/dbraw/zinc/55/91/53/803559153.db2.gz BCDPDZHXSKGXEJ-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP CCCc1noc([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC001207439312 803612340 /nfs/dbraw/zinc/61/23/40/803612340.db2.gz NCHGCKHLSBTVCJ-CQSZACIVSA-N 2 1 292.427 2.201 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715391446 814963519 /nfs/dbraw/zinc/96/35/19/814963519.db2.gz FVYYZMPGFGLLKZ-ILXRZTDVSA-N 2 1 252.402 2.147 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715391446 814963525 /nfs/dbraw/zinc/96/35/25/814963525.db2.gz FVYYZMPGFGLLKZ-ILXRZTDVSA-N 2 1 252.402 2.147 20 0 CEADMP C[NH2+][C@H](C)CC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC001117953449 814968840 /nfs/dbraw/zinc/96/88/40/814968840.db2.gz HHUNOYZDEBFICX-CYBMUJFWSA-N 2 1 290.386 2.158 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)CC[N@@H+]1C ZINC000715542978 814974500 /nfs/dbraw/zinc/97/45/00/814974500.db2.gz MXCMULGFAQTDQG-UIDBIOKJSA-N 3 1 267.461 2.322 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)CC[N@H+]1C ZINC000715542978 814974503 /nfs/dbraw/zinc/97/45/03/814974503.db2.gz MXCMULGFAQTDQG-UIDBIOKJSA-N 3 1 267.461 2.322 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000299983899 803926897 /nfs/dbraw/zinc/92/68/97/803926897.db2.gz HKNGQKLCNYULMF-ZIAGYGMSSA-N 2 1 252.402 2.149 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001027433416 804074118 /nfs/dbraw/zinc/07/41/18/804074118.db2.gz YPMUMMBKXFGEKT-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001027433416 804074126 /nfs/dbraw/zinc/07/41/26/804074126.db2.gz YPMUMMBKXFGEKT-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001027433416 804074136 /nfs/dbraw/zinc/07/41/36/804074136.db2.gz YPMUMMBKXFGEKT-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001027452557 804078349 /nfs/dbraw/zinc/07/83/49/804078349.db2.gz QREPODLJQLWJQH-HOTGVXAUSA-N 2 1 297.487 2.151 20 0 CEADMP CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001027601647 804147796 /nfs/dbraw/zinc/14/77/96/804147796.db2.gz FZQFJYCXNYXEQO-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001027601647 804147799 /nfs/dbraw/zinc/14/77/99/804147799.db2.gz FZQFJYCXNYXEQO-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027601647 804147806 /nfs/dbraw/zinc/14/78/06/804147806.db2.gz FZQFJYCXNYXEQO-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027693851 804197972 /nfs/dbraw/zinc/19/79/72/804197972.db2.gz KSBWJRVEZQEPSX-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC001167824080 804377841 /nfs/dbraw/zinc/37/78/41/804377841.db2.gz BWDWMGSVHGMEOA-ZBFHGGJFSA-N 2 1 283.460 2.097 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@](C)(O)C1 ZINC001167823915 804379737 /nfs/dbraw/zinc/37/97/37/804379737.db2.gz ALEWVLCLAJLELY-CABCVRRESA-N 2 1 256.434 2.344 20 0 CEADMP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268086977 804398988 /nfs/dbraw/zinc/39/89/88/804398988.db2.gz NQNYWIVKLKORPU-CVEARBPZSA-N 2 1 297.487 2.486 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)[C@H]1CCCC[NH2+]1 ZINC000722389867 804413194 /nfs/dbraw/zinc/41/31/94/804413194.db2.gz RBLUQVIQIQSEJG-YFKTTZPYSA-N 2 1 280.334 2.217 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001167836820 804429680 /nfs/dbraw/zinc/42/96/80/804429680.db2.gz HQNYNZWKPSSYEW-CVEARBPZSA-N 2 1 293.459 2.426 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(C(C)=O)[C@H](C)C1 ZINC001167839814 804436443 /nfs/dbraw/zinc/43/64/43/804436443.db2.gz BYNMIOCYRRBKLY-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028180502 804517805 /nfs/dbraw/zinc/51/78/05/804517805.db2.gz BAFKYDMCYWCAHZ-HZPDHXFCSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001028180502 804517810 /nfs/dbraw/zinc/51/78/10/804517810.db2.gz BAFKYDMCYWCAHZ-HZPDHXFCSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001028180502 804517814 /nfs/dbraw/zinc/51/78/14/804517814.db2.gz BAFKYDMCYWCAHZ-HZPDHXFCSA-N 2 1 295.471 2.238 20 0 CEADMP CN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167898260 804593746 /nfs/dbraw/zinc/59/37/46/804593746.db2.gz QYKGITDGYSXARS-REPLKXPHSA-N 2 1 299.462 2.322 20 0 CEADMP CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001282310095 804643425 /nfs/dbraw/zinc/64/34/25/804643425.db2.gz GIDONQCISWWUDI-GJZGRUSLSA-N 2 1 297.487 2.201 20 0 CEADMP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001268470327 804717249 /nfs/dbraw/zinc/71/72/49/804717249.db2.gz AQZREPNHNKSSHA-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001028334639 804718686 /nfs/dbraw/zinc/71/86/86/804718686.db2.gz FIATWQABCDNNME-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001028334639 804718690 /nfs/dbraw/zinc/71/86/90/804718690.db2.gz FIATWQABCDNNME-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCN(CC[NH2+]CC(C)C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268482450 804736554 /nfs/dbraw/zinc/73/65/54/804736554.db2.gz RKRRIHJJZAVDEW-INIZCTEOSA-N 2 1 297.487 2.343 20 0 CEADMP C[N@@H+](C1CC1)[C@H]1CCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001168388707 807048457 /nfs/dbraw/zinc/04/84/57/807048457.db2.gz GOWLULPDCNYORC-KRWDZBQOSA-N 2 1 277.456 2.029 20 0 CEADMP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167953176 805214350 /nfs/dbraw/zinc/21/43/50/805214350.db2.gz SFGORJUHWKGNLG-HALDLXJZSA-N 2 1 278.440 2.360 20 0 CEADMP O[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959034 805298554 /nfs/dbraw/zinc/29/85/54/805298554.db2.gz NIYYJXHPNRFBNL-QHEDDYRISA-N 2 1 278.440 2.285 20 0 CEADMP CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001270010260 805310130 /nfs/dbraw/zinc/31/01/30/805310130.db2.gz CDXASSTVJVJKBE-JYJNAYRXSA-N 2 1 295.471 2.288 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC)C1 ZINC001028919054 805357852 /nfs/dbraw/zinc/35/78/52/805357852.db2.gz QDDMLPCKMHKMCY-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC001028919054 805357859 /nfs/dbraw/zinc/35/78/59/805357859.db2.gz QDDMLPCKMHKMCY-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC001028919054 805357868 /nfs/dbraw/zinc/35/78/68/805357868.db2.gz QDDMLPCKMHKMCY-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCN(CCC[NH3+])C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963938 805442696 /nfs/dbraw/zinc/44/26/96/805442696.db2.gz IPBICQYHCRTATL-SJPCQFCGSA-N 2 1 279.472 2.453 20 0 CEADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)n(C)n1 ZINC001167964737 805452979 /nfs/dbraw/zinc/45/29/79/805452979.db2.gz WYTNUZPFRAKRDZ-MQVJKMGUSA-N 2 1 288.439 2.224 20 0 CEADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)n(C)n1 ZINC001167964737 805452984 /nfs/dbraw/zinc/45/29/84/805452984.db2.gz WYTNUZPFRAKRDZ-MQVJKMGUSA-N 2 1 288.439 2.224 20 0 CEADMP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167974839 805505710 /nfs/dbraw/zinc/50/57/10/805505710.db2.gz BGAHXHYGDVZOKZ-NPYXIHBLSA-N 2 1 278.440 2.406 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168396709 807076212 /nfs/dbraw/zinc/07/62/12/807076212.db2.gz HVBHRRKESJLPMQ-MRXNPFEDSA-N 2 1 262.372 2.367 20 0 CEADMP CC[C@H](C)C[NH+]1CC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030442454 807190210 /nfs/dbraw/zinc/19/02/10/807190210.db2.gz UZPVYZINCYPHDV-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000229088820 807235704 /nfs/dbraw/zinc/23/57/04/807235704.db2.gz YOCOHQJAZRMZIC-CABCVRRESA-N 2 1 262.397 2.291 20 0 CEADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000716283206 815109670 /nfs/dbraw/zinc/10/96/70/815109670.db2.gz FQFGJEHTWWKUEG-OAHLLOKOSA-N 2 1 278.440 2.411 20 0 CEADMP C[N@H+](C[C@H]1CCC2(CCC2)CO1)[C@H](C[NH3+])C1CC1 ZINC000716296833 815110661 /nfs/dbraw/zinc/11/06/61/815110661.db2.gz WGTWHAHRGDHSEX-ZIAGYGMSSA-N 2 1 252.402 2.005 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(CCC2)CO1)[C@H](C[NH3+])C1CC1 ZINC000716296833 815110665 /nfs/dbraw/zinc/11/06/65/815110665.db2.gz WGTWHAHRGDHSEX-ZIAGYGMSSA-N 2 1 252.402 2.005 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000721961745 807378782 /nfs/dbraw/zinc/37/87/82/807378782.db2.gz LFBOCRIIBFTMOK-BMFZPTHFSA-N 2 1 266.429 2.123 20 0 CEADMP CC(C)O[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699232005 807657472 /nfs/dbraw/zinc/65/74/72/807657472.db2.gz GZIMDHHMRIDHBC-UYTSQGDYSA-N 2 1 266.429 2.406 20 0 CEADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099233945 807777393 /nfs/dbraw/zinc/77/73/93/807777393.db2.gz DXYFBAPWSBNSDU-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099233945 807777398 /nfs/dbraw/zinc/77/73/98/807777398.db2.gz DXYFBAPWSBNSDU-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001099233945 807777402 /nfs/dbraw/zinc/77/74/02/807777402.db2.gz DXYFBAPWSBNSDU-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)C1 ZINC001235232451 807800381 /nfs/dbraw/zinc/80/03/81/807800381.db2.gz IZHCYRIGUZBIRY-RDJZCZTQSA-N 3 1 279.472 2.182 20 0 CEADMP CN1CCC[C@H](C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)C1 ZINC001235232451 807800388 /nfs/dbraw/zinc/80/03/88/807800388.db2.gz IZHCYRIGUZBIRY-RDJZCZTQSA-N 2 1 279.472 2.182 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000715266073 807855633 /nfs/dbraw/zinc/85/56/33/807855633.db2.gz XTNXSIGWVSJLBJ-GTGZTVCESA-N 2 1 279.472 2.464 20 0 CEADMP CN1[C@@H]2CCC[C@H]1CC([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC000715266073 807855642 /nfs/dbraw/zinc/85/56/42/807855642.db2.gz XTNXSIGWVSJLBJ-GTGZTVCESA-N 2 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000715266073 807855650 /nfs/dbraw/zinc/85/56/50/807855650.db2.gz XTNXSIGWVSJLBJ-GTGZTVCESA-N 3 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000715266073 807855657 /nfs/dbraw/zinc/85/56/57/807855657.db2.gz XTNXSIGWVSJLBJ-GTGZTVCESA-N 3 1 279.472 2.464 20 0 CEADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089419170 807963901 /nfs/dbraw/zinc/96/39/01/807963901.db2.gz DBKNHAGLSZITNV-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCCC2CCC2)CC[N@H+]1C ZINC001127701095 808203404 /nfs/dbraw/zinc/20/34/04/808203404.db2.gz ICZQIODIOBGFKL-JKSUJKDBSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171508801 815189734 /nfs/dbraw/zinc/18/97/34/815189734.db2.gz QLWPYYVJFVRNOA-SECBINFHSA-N 2 1 272.314 2.288 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001124877354 808272660 /nfs/dbraw/zinc/27/26/60/808272660.db2.gz GMMRFYFCIIBZOL-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP CCNC(=O)[C@@H]1CCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641374 815215148 /nfs/dbraw/zinc/21/51/48/815215148.db2.gz QVXLMDSYUKDXGF-AWEZNQCLSA-N 2 1 295.471 2.238 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(Cl)c2)CC1 ZINC001205210355 808558441 /nfs/dbraw/zinc/55/84/41/808558441.db2.gz OBYSSOURRSNGCC-CQSZACIVSA-N 2 1 268.788 2.016 20 0 CEADMP Cc1cc(C[NH3+])nn1[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171726537 815218345 /nfs/dbraw/zinc/21/83/45/815218345.db2.gz XJKJPRHHZWBALB-SUMWQHHRSA-N 2 1 284.407 2.486 20 0 CEADMP CCCc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205228639 808640543 /nfs/dbraw/zinc/64/05/43/808640543.db2.gz GSDTVSVZHTVDHB-KRWDZBQOSA-N 2 1 276.424 2.315 20 0 CEADMP COc1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@@H]([NH3+])C3)CCO2)cc1 ZINC001168585589 808676540 /nfs/dbraw/zinc/67/65/40/808676540.db2.gz HXQJZZYSJRBPRJ-VYDXJSESSA-N 2 1 290.407 2.338 20 0 CEADMP COc1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@@H]([NH3+])C3)CCO2)cc1 ZINC001168585589 808676543 /nfs/dbraw/zinc/67/65/43/808676543.db2.gz HXQJZZYSJRBPRJ-VYDXJSESSA-N 2 1 290.407 2.338 20 0 CEADMP Nc1[nH+]cccc1Nc1cc[nH+]c(N2CCCC2)c1 ZINC001212395104 808735271 /nfs/dbraw/zinc/73/52/71/808735271.db2.gz FMXMAAFBOITYDO-UHFFFAOYSA-N 2 1 255.325 2.403 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171790447 815236490 /nfs/dbraw/zinc/23/64/90/815236490.db2.gz LGSTXKROIXEHFW-FFSVYQOJSA-N 2 1 262.372 2.223 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171790447 815236491 /nfs/dbraw/zinc/23/64/91/815236491.db2.gz LGSTXKROIXEHFW-FFSVYQOJSA-N 2 1 262.372 2.223 20 0 CEADMP COC[C@H](C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C(C)C ZINC000721920955 808857224 /nfs/dbraw/zinc/85/72/24/808857224.db2.gz QYKSLRHUSDRPOP-AVGNSLFASA-N 2 1 296.377 2.364 20 0 CEADMP CC(C)(C)OC(=O)C1CCC(n2c[nH+]cc2CC[NH3+])CC1 ZINC001171909524 815250232 /nfs/dbraw/zinc/25/02/32/815250232.db2.gz SOONITXYQOHOHP-UHFFFAOYSA-N 2 1 293.411 2.457 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)C1 ZINC000453100332 809036352 /nfs/dbraw/zinc/03/63/52/809036352.db2.gz RPQHRUFJDSCKIB-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP CCC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033145403 809199849 /nfs/dbraw/zinc/19/98/49/809199849.db2.gz HREWBOKGFJOAPF-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033145403 809199853 /nfs/dbraw/zinc/19/98/53/809199853.db2.gz HREWBOKGFJOAPF-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033145403 809199857 /nfs/dbraw/zinc/19/98/57/809199857.db2.gz HREWBOKGFJOAPF-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320993 809267141 /nfs/dbraw/zinc/26/71/41/809267141.db2.gz ZBHYWMORGIKTCP-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP COC(=O)C1(C)CCC([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC001168752620 809290223 /nfs/dbraw/zinc/29/02/23/809290223.db2.gz PVTPOSHAZYENBE-UHFFFAOYSA-N 2 1 282.428 2.310 20 0 CEADMP CC(C)c1cnc(C[NH+]2CCC([C@H](C)[NH3+])CC2)o1 ZINC000700788625 809347553 /nfs/dbraw/zinc/34/75/53/809347553.db2.gz QZJLSCWWPNITOW-NSHDSACASA-N 2 1 251.374 2.357 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000700830230 809358047 /nfs/dbraw/zinc/35/80/47/809358047.db2.gz GZEGCBHTIJBETC-HIFRSBDPSA-N 2 1 259.397 2.390 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000700830230 809358054 /nfs/dbraw/zinc/35/80/54/809358054.db2.gz GZEGCBHTIJBETC-HIFRSBDPSA-N 2 1 259.397 2.390 20 0 CEADMP COC(=O)[C@H]1CC[C@@H](C)[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172125925 815286242 /nfs/dbraw/zinc/28/62/42/815286242.db2.gz RUVRXXCUVBSITM-LEOABGAYSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@H]1CC[C@@H](C)[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172125925 815286245 /nfs/dbraw/zinc/28/62/45/815286245.db2.gz RUVRXXCUVBSITM-LEOABGAYSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@H]1CC[C@@H](C)[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172125925 815286248 /nfs/dbraw/zinc/28/62/48/815286248.db2.gz RUVRXXCUVBSITM-LEOABGAYSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@H]1CC[C@@H](C)[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172125925 815286249 /nfs/dbraw/zinc/28/62/49/815286249.db2.gz RUVRXXCUVBSITM-LEOABGAYSA-N 2 1 294.439 2.275 20 0 CEADMP CN1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172065650 815286294 /nfs/dbraw/zinc/28/62/94/815286294.db2.gz PVEVFWYNZMFRMJ-GGPHIMKMSA-N 2 1 299.462 2.476 20 0 CEADMP CN1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065650 815286295 /nfs/dbraw/zinc/28/62/95/815286295.db2.gz PVEVFWYNZMFRMJ-GGPHIMKMSA-N 2 1 299.462 2.476 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](C(C)C)C1 ZINC001033826177 809425357 /nfs/dbraw/zinc/42/53/57/809425357.db2.gz MNKLNVRJGSJGSW-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](C(C)C)C1 ZINC001033826177 809425360 /nfs/dbraw/zinc/42/53/60/809425360.db2.gz MNKLNVRJGSJGSW-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](C(C)C)C1 ZINC001033826177 809425365 /nfs/dbraw/zinc/42/53/65/809425365.db2.gz MNKLNVRJGSJGSW-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP C[NH2+]CCN([C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC001172129939 815288765 /nfs/dbraw/zinc/28/87/65/815288765.db2.gz MHUNAVNVDMVFFA-QDMKHBRRSA-N 2 1 267.461 2.322 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128793 815289586 /nfs/dbraw/zinc/28/95/86/815289586.db2.gz UJCJSMDJLDWYTH-YJNKXOJESA-N 2 1 280.412 2.029 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128793 815289591 /nfs/dbraw/zinc/28/95/91/815289591.db2.gz UJCJSMDJLDWYTH-YJNKXOJESA-N 2 1 280.412 2.029 20 0 CEADMP CCOC(=O)[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128793 815289592 /nfs/dbraw/zinc/28/95/92/815289592.db2.gz UJCJSMDJLDWYTH-YJNKXOJESA-N 2 1 280.412 2.029 20 0 CEADMP CCOC(=O)[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128793 815289597 /nfs/dbraw/zinc/28/95/97/815289597.db2.gz UJCJSMDJLDWYTH-YJNKXOJESA-N 2 1 280.412 2.029 20 0 CEADMP C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000701856110 809471169 /nfs/dbraw/zinc/47/11/69/809471169.db2.gz NIHFFCCIZCLGDH-MGPQQGTHSA-N 2 1 299.459 2.314 20 0 CEADMP C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000701856110 809471173 /nfs/dbraw/zinc/47/11/73/809471173.db2.gz NIHFFCCIZCLGDH-MGPQQGTHSA-N 2 1 299.459 2.314 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H]1CCCC[N@@H+]1C)C2 ZINC001172101943 815293558 /nfs/dbraw/zinc/29/35/58/815293558.db2.gz IJCVIROJQCPCAR-FZKCQIBNSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCCC[C@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172101943 815293562 /nfs/dbraw/zinc/29/35/62/815293562.db2.gz IJCVIROJQCPCAR-FZKCQIBNSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCCC[C@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101943 815293569 /nfs/dbraw/zinc/29/35/69/815293569.db2.gz IJCVIROJQCPCAR-FZKCQIBNSA-N 2 1 265.445 2.076 20 0 CEADMP CN1CCCC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172101943 815293572 /nfs/dbraw/zinc/29/35/72/815293572.db2.gz IJCVIROJQCPCAR-FZKCQIBNSA-N 2 1 265.445 2.076 20 0 CEADMP CN1CCCC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101943 815293579 /nfs/dbraw/zinc/29/35/79/815293579.db2.gz IJCVIROJQCPCAR-FZKCQIBNSA-N 2 1 265.445 2.076 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)nn1)C2 ZINC001172107654 815295367 /nfs/dbraw/zinc/29/53/67/815295367.db2.gz GCYQXSMRFIWSAH-XYYAHUGASA-N 2 1 280.803 2.235 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)nn1)C2 ZINC001172107654 815295368 /nfs/dbraw/zinc/29/53/68/815295368.db2.gz GCYQXSMRFIWSAH-XYYAHUGASA-N 2 1 280.803 2.235 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCn1nnc3ccccc31)C2 ZINC001172105381 815295494 /nfs/dbraw/zinc/29/54/94/815295494.db2.gz HYCLDSCNOQQPQL-QDMKHBRRSA-N 2 1 299.422 2.036 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC001172105055 815296312 /nfs/dbraw/zinc/29/63/12/815296312.db2.gz FRTJRAYXOXDMSX-MUJYYYPQSA-N 2 1 289.423 2.238 20 0 CEADMP COc1cc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccn1 ZINC001172106553 815296643 /nfs/dbraw/zinc/29/66/43/815296643.db2.gz QBNBGAYDERTZJY-PHZGNYQRSA-N 2 1 289.423 2.238 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(CCF)CC1)C2 ZINC001172104954 815296824 /nfs/dbraw/zinc/29/68/24/815296824.db2.gz FKTOAOYLRRQRFG-MUJYYYPQSA-N 2 1 283.435 2.025 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(CCF)CC1)C2 ZINC001172104954 815296828 /nfs/dbraw/zinc/29/68/28/815296828.db2.gz FKTOAOYLRRQRFG-MUJYYYPQSA-N 2 1 283.435 2.025 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1c3ccccc3NC1=O)C2 ZINC001172111820 815300367 /nfs/dbraw/zinc/30/03/67/815300367.db2.gz WNOOZIMJVXZAON-FQLMCAECSA-N 2 1 299.418 2.327 20 0 CEADMP CC[C@H](C)[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)N(C)C ZINC001172108564 815298319 /nfs/dbraw/zinc/29/83/19/815298319.db2.gz BLXUFHMCQNJPEE-QMHWVQJVSA-N 2 1 295.471 2.094 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](C(C)C)C1 ZINC001034238270 809561358 /nfs/dbraw/zinc/56/13/58/809561358.db2.gz BSDGMUHACNHDQL-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034238270 809561364 /nfs/dbraw/zinc/56/13/64/809561364.db2.gz BSDGMUHACNHDQL-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](C(C)C)C1 ZINC001034238270 809561370 /nfs/dbraw/zinc/56/13/70/809561370.db2.gz BSDGMUHACNHDQL-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@]13CCCOC3)C2 ZINC001172111884 815301331 /nfs/dbraw/zinc/30/13/31/815301331.db2.gz XTWXUINYYRUTCT-YIDVYQOGSA-N 2 1 264.413 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@]13CCCOC3)C2 ZINC001172111884 815301338 /nfs/dbraw/zinc/30/13/38/815301338.db2.gz XTWXUINYYRUTCT-YIDVYQOGSA-N 2 1 264.413 2.160 20 0 CEADMP CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034439956 809609433 /nfs/dbraw/zinc/60/94/33/809609433.db2.gz YERFXEMGNYDBJQ-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034439956 809609437 /nfs/dbraw/zinc/60/94/37/809609437.db2.gz YERFXEMGNYDBJQ-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCOc1ccccc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703584016 809666550 /nfs/dbraw/zinc/66/65/50/809666550.db2.gz OFASUJIECSXFHG-GOEBONIOSA-N 2 1 260.381 2.127 20 0 CEADMP CCOc1ccccc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703584016 809666553 /nfs/dbraw/zinc/66/65/53/809666553.db2.gz OFASUJIECSXFHG-GOEBONIOSA-N 2 1 260.381 2.127 20 0 CEADMP CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001034795645 809695970 /nfs/dbraw/zinc/69/59/70/809695970.db2.gz NMMKIKNKTFJZNC-BZUAXINKSA-N 2 1 295.471 2.288 20 0 CEADMP CC(C)C[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172119487 815309623 /nfs/dbraw/zinc/30/96/23/815309623.db2.gz VRTQRJKMNFRIIU-FVQHAEBGSA-N 2 1 279.472 2.275 20 0 CEADMP [NH3+]CCCOC1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000703877443 809699728 /nfs/dbraw/zinc/69/97/28/809699728.db2.gz GJPAZDRXOJTUPU-UHFFFAOYSA-N 2 1 283.803 2.065 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)C2 ZINC001172119264 815310320 /nfs/dbraw/zinc/31/03/20/815310320.db2.gz XINDGONXFJABAE-FQUUOJAGSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)C2 ZINC001172119264 815310326 /nfs/dbraw/zinc/31/03/26/815310326.db2.gz XINDGONXFJABAE-FQUUOJAGSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@@H]1O ZINC001172121889 815311512 /nfs/dbraw/zinc/31/15/12/815311512.db2.gz VBCVFFLGIJSCQW-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@@H]1O ZINC001172121889 815311519 /nfs/dbraw/zinc/31/15/19/815311519.db2.gz VBCVFFLGIJSCQW-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC[C@@H]1O ZINC001172121889 815311526 /nfs/dbraw/zinc/31/15/26/815311526.db2.gz VBCVFFLGIJSCQW-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC[C@@H]1O ZINC001172121889 815311533 /nfs/dbraw/zinc/31/15/33/815311533.db2.gz VBCVFFLGIJSCQW-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H]2CC(C)(C)CO2)[C@@H]1C ZINC000708358727 809927598 /nfs/dbraw/zinc/92/75/98/809927598.db2.gz HPSMARVWJXXONV-AAVRWANBSA-N 2 1 254.418 2.249 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H]2CC(C)(C)CO2)[C@@H]1C ZINC000708358727 809927603 /nfs/dbraw/zinc/92/76/03/809927603.db2.gz HPSMARVWJXXONV-AAVRWANBSA-N 2 1 254.418 2.249 20 0 CEADMP CCC[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000708878005 809937340 /nfs/dbraw/zinc/93/73/40/809937340.db2.gz AHNNSJOUHMMTKF-JALIKCBVSA-N 2 1 252.402 2.018 20 0 CEADMP CCC[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000708923820 809938741 /nfs/dbraw/zinc/93/87/41/809938741.db2.gz OCDSIDBQFWCLPI-WTXIUTQJSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2CC[C@@](C)(C[NH3+])C2)C(C)(C)O1 ZINC000709702966 809953779 /nfs/dbraw/zinc/95/37/79/809953779.db2.gz QINRFFUTLWJGNA-WFASDCNBSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@]1(C(F)(F)F)CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000709635251 809968481 /nfs/dbraw/zinc/96/84/81/809968481.db2.gz NYBRDGRCOZFJIH-NSHDSACASA-N 2 1 250.308 2.403 20 0 CEADMP C[C@]1(C(F)(F)F)CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000709635251 809968488 /nfs/dbraw/zinc/96/84/88/809968488.db2.gz NYBRDGRCOZFJIH-NSHDSACASA-N 2 1 250.308 2.403 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCOCc1ccccc1)C2 ZINC000709803378 809970319 /nfs/dbraw/zinc/97/03/19/809970319.db2.gz PLAUGTMHVKTRAZ-BBWFWOEESA-N 2 1 274.408 2.405 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(F)cc1F)C2 ZINC000709851680 809972588 /nfs/dbraw/zinc/97/25/88/809972588.db2.gz DIHVXUUMXRPYMI-BIMULSAOSA-N 2 1 252.308 2.276 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(F)cc1F)C2 ZINC000709851680 809972592 /nfs/dbraw/zinc/97/25/92/809972592.db2.gz DIHVXUUMXRPYMI-BIMULSAOSA-N 2 1 252.308 2.276 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CSc2ccccc2C1 ZINC001172205424 815332894 /nfs/dbraw/zinc/33/28/94/815332894.db2.gz WKCHXRYCGSVGIY-DGCLKSJQSA-N 2 1 250.411 2.230 20 0 CEADMP c1csc([C@@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000710440663 809988195 /nfs/dbraw/zinc/98/81/95/809988195.db2.gz JGBVTRGZKIXKGR-CHWSQXEVSA-N 2 1 265.426 2.322 20 0 CEADMP COCc1nc(C[N@H+](C)CCCCCC[NH3+])cs1 ZINC000710834660 809995149 /nfs/dbraw/zinc/99/51/49/809995149.db2.gz PONNQXIQDXCADN-UHFFFAOYSA-N 2 1 271.430 2.240 20 0 CEADMP COCc1nc(C[N@@H+](C)CCCCCC[NH3+])cs1 ZINC000710834660 809995150 /nfs/dbraw/zinc/99/51/50/809995150.db2.gz PONNQXIQDXCADN-UHFFFAOYSA-N 2 1 271.430 2.240 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC2CCC3(CC3)CC2)CCO1 ZINC000923298511 810084639 /nfs/dbraw/zinc/08/46/39/810084639.db2.gz UYTBAQVDASAJKR-GXTWGEPZSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)CCO1 ZINC000923298511 810084641 /nfs/dbraw/zinc/08/46/41/810084641.db2.gz UYTBAQVDASAJKR-GXTWGEPZSA-N 2 1 252.402 2.005 20 0 CEADMP NC[C@H]1c2ccccc2CC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923384204 810089986 /nfs/dbraw/zinc/08/99/86/810089986.db2.gz CTLPTAHUVBBDLD-SOXMVSPVSA-N 2 1 299.462 2.465 20 0 CEADMP NC[C@H]1c2ccccc2CC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923384204 810089989 /nfs/dbraw/zinc/08/99/89/810089989.db2.gz CTLPTAHUVBBDLD-SOXMVSPVSA-N 2 1 299.462 2.465 20 0 CEADMP CCCCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001273178946 810095477 /nfs/dbraw/zinc/09/54/77/810095477.db2.gz FNHDOSCADQCMOV-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CSc3ccccc3C2)CC1 ZINC001172193101 815347331 /nfs/dbraw/zinc/34/73/31/815347331.db2.gz KFFPIGPIERRJPR-CQSZACIVSA-N 2 1 262.422 2.387 20 0 CEADMP CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001079698306 810230454 /nfs/dbraw/zinc/23/04/54/810230454.db2.gz VPMGGRHQLYAZSJ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015795174 810353934 /nfs/dbraw/zinc/35/39/34/810353934.db2.gz MIOKJUZAQOVNIA-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC)C1 ZINC001015976514 810380972 /nfs/dbraw/zinc/38/09/72/810380972.db2.gz NAUBDBPEFFTFIP-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC001015976514 810380975 /nfs/dbraw/zinc/38/09/75/810380975.db2.gz NAUBDBPEFFTFIP-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC001015976514 810380979 /nfs/dbraw/zinc/38/09/79/810380979.db2.gz NAUBDBPEFFTFIP-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@@H](C)OCC[C@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001172320060 815371032 /nfs/dbraw/zinc/37/10/32/815371032.db2.gz VDGWNTPWGWWJHT-WCQYABFASA-N 2 1 253.390 2.459 20 0 CEADMP C[NH2+]CCCCC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC001121991232 815374888 /nfs/dbraw/zinc/37/48/88/815374888.db2.gz OFYZPKWPWGXJCV-OAHLLOKOSA-N 2 1 283.460 2.004 20 0 CEADMP CC1(C)C[C@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CO1 ZINC001172279904 815375139 /nfs/dbraw/zinc/37/51/39/815375139.db2.gz MEXVCWSYGMJZMZ-KBPBESRZSA-N 2 1 254.418 2.395 20 0 CEADMP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21 ZINC001085035607 810569914 /nfs/dbraw/zinc/56/99/14/810569914.db2.gz HHLIELTTZGNKDH-PMPSAXMXSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+](Cc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)nc1)C1CC1 ZINC001154987793 810886293 /nfs/dbraw/zinc/88/62/93/810886293.db2.gz OCHRBJMBFDHWCD-KGLIPLIRSA-N 2 1 274.412 2.358 20 0 CEADMP CCCC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038868705 810931288 /nfs/dbraw/zinc/93/12/88/810931288.db2.gz DGJRBZDMWWZEOZ-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038868708 810931871 /nfs/dbraw/zinc/93/18/71/810931871.db2.gz DGJRBZDMWWZEOZ-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H](C)CCOCC(C)C)C[C@@H]2C1 ZINC001172473242 815428960 /nfs/dbraw/zinc/42/89/60/815428960.db2.gz SGABVGWNTGRRHU-YESZJQIVSA-N 2 1 298.471 2.090 20 0 CEADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H](C)CCOCC(C)C)C[C@@H]2C1 ZINC001172473242 815428963 /nfs/dbraw/zinc/42/89/63/815428963.db2.gz SGABVGWNTGRRHU-YESZJQIVSA-N 2 1 298.471 2.090 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H](C)CCOCC(C)C)C[C@@H]2C1 ZINC001172473242 815428967 /nfs/dbraw/zinc/42/89/67/815428967.db2.gz SGABVGWNTGRRHU-YESZJQIVSA-N 2 1 298.471 2.090 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H](C)CCOCC(C)C)C[C@@H]2C1 ZINC001172473242 815428970 /nfs/dbraw/zinc/42/89/70/815428970.db2.gz SGABVGWNTGRRHU-YESZJQIVSA-N 2 1 298.471 2.090 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC001168801336 811248788 /nfs/dbraw/zinc/24/87/88/811248788.db2.gz OWGNIBPLIMQKJM-TZMCWYRMSA-N 2 1 297.443 2.068 20 0 CEADMP C[C@H]1C[C@H]([NH+]2CCC(C)([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001168822104 811257303 /nfs/dbraw/zinc/25/73/03/811257303.db2.gz HNOGRXXGMOACKI-STQMWFEESA-N 2 1 297.443 2.198 20 0 CEADMP Cc1c2[nH+]c[nH]c2ccc1N(CC[NH3+])c1cccnc1 ZINC001168835991 811263198 /nfs/dbraw/zinc/26/31/98/811263198.db2.gz HGTDQVSFNYBPPP-UHFFFAOYSA-N 2 1 267.336 2.363 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1C ZINC001205995900 811295187 /nfs/dbraw/zinc/29/51/87/811295187.db2.gz RQVBMVXSBHKBBA-IUODEOHRSA-N 2 1 278.444 2.327 20 0 CEADMP Cc1cnc(C[NH3+])n1-c1cc[nH+]cc1C(F)(F)F ZINC001169027618 811341379 /nfs/dbraw/zinc/34/13/79/811341379.db2.gz ABGQZLQDPVMQHZ-UHFFFAOYSA-N 2 1 256.231 2.053 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOc1ccccc1F)C2 ZINC001169095669 811366447 /nfs/dbraw/zinc/36/64/47/811366447.db2.gz QSOSLPQUNZCEQJ-BTTYYORXSA-N 2 1 278.371 2.419 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)C2 ZINC001169100053 811374373 /nfs/dbraw/zinc/37/43/73/811374373.db2.gz FLNHUARKGBESFZ-BJWYYQGGSA-N 3 1 279.472 2.467 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)C2 ZINC001169100053 811374383 /nfs/dbraw/zinc/37/43/83/811374383.db2.gz FLNHUARKGBESFZ-BJWYYQGGSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cncc(F)c1 ZINC001169124748 811390965 /nfs/dbraw/zinc/39/09/65/811390965.db2.gz SQNZUBDLGSPNBA-QZKOUSHUSA-N 2 1 263.360 2.497 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cncc(F)c1 ZINC001169124748 811390973 /nfs/dbraw/zinc/39/09/73/811390973.db2.gz SQNZUBDLGSPNBA-QZKOUSHUSA-N 2 1 263.360 2.497 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3ccccc3)CC1)C2 ZINC001169123800 811393209 /nfs/dbraw/zinc/39/32/09/811393209.db2.gz MYEDOYZMRZMDFC-PIIMJCKOSA-N 2 1 285.435 2.434 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3ccccc3)CC1)C2 ZINC001169123800 811393219 /nfs/dbraw/zinc/39/32/19/811393219.db2.gz MYEDOYZMRZMDFC-PIIMJCKOSA-N 2 1 285.435 2.434 20 0 CEADMP COC(=O)C12CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)(CC1)C2 ZINC001169125300 811394017 /nfs/dbraw/zinc/39/40/17/811394017.db2.gz YMTOMIXTHUKZLU-KWUMUHRBSA-N 2 1 292.423 2.077 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](C(F)(F)F)C1)C2 ZINC001169139405 811400717 /nfs/dbraw/zinc/40/07/17/811400717.db2.gz BUYGZTUVWBTTEC-WISYIIOYSA-N 2 1 262.319 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H](C(F)(F)F)C1)C2 ZINC001169139405 811400720 /nfs/dbraw/zinc/40/07/20/811400720.db2.gz BUYGZTUVWBTTEC-WISYIIOYSA-N 2 1 262.319 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H](C(F)(F)F)C1)C2 ZINC001169139405 811400723 /nfs/dbraw/zinc/40/07/23/811400723.db2.gz BUYGZTUVWBTTEC-WISYIIOYSA-N 2 1 262.319 2.496 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+](CC3CCCC3)CC1)C2 ZINC001169139657 811402017 /nfs/dbraw/zinc/40/20/17/811402017.db2.gz CUNQDWQHJAYXPK-BCDXTJNWSA-N 2 1 291.483 2.419 20 0 CEADMP COC(=O)[C@H]1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169110552 811404218 /nfs/dbraw/zinc/40/42/18/811404218.db2.gz MQNXYRCWFOAYHA-JHJNDJDLSA-N 2 1 294.439 2.181 20 0 CEADMP CCN(CC[NH+]1CCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143131 811408956 /nfs/dbraw/zinc/40/89/56/811408956.db2.gz YDEYUWUPUAVMSW-ZSHCYNCHSA-N 2 1 265.445 2.029 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](c3ccncc3)C1)C2 ZINC001169142381 811409115 /nfs/dbraw/zinc/40/91/15/811409115.db2.gz UBILWPZXUATOFX-NXOAAHMSSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H](c3ccncc3)C1)C2 ZINC001169142381 811409118 /nfs/dbraw/zinc/40/91/18/811409118.db2.gz UBILWPZXUATOFX-NXOAAHMSSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H](c3ccncc3)C1)C2 ZINC001169142381 811409122 /nfs/dbraw/zinc/40/91/22/811409122.db2.gz UBILWPZXUATOFX-NXOAAHMSSA-N 2 1 271.408 2.496 20 0 CEADMP C[N@@H+](CCc1cccnc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143618 811411647 /nfs/dbraw/zinc/41/16/47/811411647.db2.gz GOZLVQHLHRVUDO-ZSHCYNCHSA-N 2 1 259.397 2.181 20 0 CEADMP C[NH+](CCc1cccnc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169143618 811411653 /nfs/dbraw/zinc/41/16/53/811411653.db2.gz GOZLVQHLHRVUDO-ZSHCYNCHSA-N 2 1 259.397 2.181 20 0 CEADMP C[NH+](CCc1cccnc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143618 811411658 /nfs/dbraw/zinc/41/16/58/811411658.db2.gz GOZLVQHLHRVUDO-ZSHCYNCHSA-N 2 1 259.397 2.181 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3ccnn32)CCC[C@@H]1C[NH3+] ZINC001206003369 811421827 /nfs/dbraw/zinc/42/18/27/811421827.db2.gz HDBHMVMGSFXLRK-ZIAGYGMSSA-N 2 1 272.396 2.141 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]c3ccncc23)CCC[C@@H]1C[NH3+] ZINC001206003948 811429106 /nfs/dbraw/zinc/42/91/06/811429106.db2.gz NXSHELDPJLJMND-QWHCGFSZSA-N 2 1 272.396 2.370 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnc3cc[nH]cc2-3)CCC[C@@H]1C[NH3+] ZINC001206003948 811429110 /nfs/dbraw/zinc/42/91/10/811429110.db2.gz NXSHELDPJLJMND-QWHCGFSZSA-N 2 1 272.396 2.370 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc3cc[nH]cc2-3)CCC[C@@H]1C[NH3+] ZINC001206003948 811429113 /nfs/dbraw/zinc/42/91/13/811429113.db2.gz NXSHELDPJLJMND-QWHCGFSZSA-N 3 1 272.396 2.370 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](CCO)c2cccc(OC)c2)CC1 ZINC001169221878 811435797 /nfs/dbraw/zinc/43/57/97/811435797.db2.gz QXUFCZXLLGICEN-KRWDZBQOSA-N 2 1 292.423 2.193 20 0 CEADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC001169237878 811457311 /nfs/dbraw/zinc/45/73/11/811457311.db2.gz BCQVEFDENPKACE-HNNXBMFYSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC([NH2+]C2(CC3CC3)CCOCC2)CC1 ZINC001169240073 811459083 /nfs/dbraw/zinc/45/90/83/811459083.db2.gz CVDNALYLFVAFBN-UHFFFAOYSA-N 2 1 266.429 2.410 20 0 CEADMP CCN1CCC([N@@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)CC1 ZINC001169245464 811460485 /nfs/dbraw/zinc/46/04/85/811460485.db2.gz FASVFQLUEJTCHR-DGCLKSJQSA-N 2 1 294.361 2.106 20 0 CEADMP CCN1CCC([N@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)CC1 ZINC001169245464 811460491 /nfs/dbraw/zinc/46/04/91/811460491.db2.gz FASVFQLUEJTCHR-DGCLKSJQSA-N 2 1 294.361 2.106 20 0 CEADMP CC(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001044630298 811516741 /nfs/dbraw/zinc/51/67/41/811516741.db2.gz UZLXDQMCQZSYNE-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(=O)Nc1cc[nH+]c(NC(C)(C)CC[NH+](C)C)c1 ZINC001169710822 811637028 /nfs/dbraw/zinc/63/70/28/811637028.db2.gz ABQVMUUGHIXTPG-UHFFFAOYSA-N 2 1 264.373 2.182 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCC(C)(C)C)C1 ZINC001046197601 811705941 /nfs/dbraw/zinc/70/59/41/811705941.db2.gz MSBSCVKMDVUNDR-WMLDXEAASA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCC(C)(C)C)C1 ZINC001046197601 811705948 /nfs/dbraw/zinc/70/59/48/811705948.db2.gz MSBSCVKMDVUNDR-WMLDXEAASA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCC(C)(C)C)C1 ZINC001046197601 811705953 /nfs/dbraw/zinc/70/59/53/811705953.db2.gz MSBSCVKMDVUNDR-WMLDXEAASA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCCC4(C3)OCCO4)C2)CC1 ZINC001169955078 811724432 /nfs/dbraw/zinc/72/44/32/811724432.db2.gz HYNYDDATUFBYQP-HNNXBMFYSA-N 2 1 294.439 2.090 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2ccnc3ccccc23)CC[C@H]1F ZINC001206166827 815470757 /nfs/dbraw/zinc/47/07/57/815470757.db2.gz VLRREOQWQNKJMT-HUUCEWRRSA-N 2 1 273.355 2.496 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)CC[C@H]1F ZINC001206166827 815470759 /nfs/dbraw/zinc/47/07/59/815470759.db2.gz VLRREOQWQNKJMT-HUUCEWRRSA-N 2 1 273.355 2.496 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@]2(C)CC[NH+](C(C)C)C2)C1 ZINC001046562373 811774791 /nfs/dbraw/zinc/77/47/91/811774791.db2.gz MWWLIHUKVIJMAW-NVXWUHKLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](C(C)C)C2)C1 ZINC001046562373 811774792 /nfs/dbraw/zinc/77/47/92/811774792.db2.gz MWWLIHUKVIJMAW-NVXWUHKLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@]2(C)CC[N@H+](C(C)C)C2)C1 ZINC001046562373 811774799 /nfs/dbraw/zinc/77/47/99/811774799.db2.gz MWWLIHUKVIJMAW-NVXWUHKLSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@@H+](CCC[NH3+])C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169975154 811807041 /nfs/dbraw/zinc/80/70/41/811807041.db2.gz RTDLGDJMPIYPQM-UHFFFAOYSA-N 2 1 271.449 2.456 20 0 CEADMP CCC[N@@H+](CCC[NH3+])C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169975809 811807831 /nfs/dbraw/zinc/80/78/31/811807831.db2.gz XAEFLGXYOOKZBI-UHFFFAOYSA-N 2 1 271.449 2.458 20 0 CEADMP COCOc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206028848 811901766 /nfs/dbraw/zinc/90/17/66/811901766.db2.gz ZOAFJYCNGFESFP-GOEBONIOSA-N 2 1 292.423 2.476 20 0 CEADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C)[NH+](CC)CC ZINC001109714398 811932649 /nfs/dbraw/zinc/93/26/49/811932649.db2.gz JHKZNHGRHGHLHE-UGUYLWEFSA-N 2 1 295.471 2.237 20 0 CEADMP Cn1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(C2CC2)n1 ZINC001206564467 811989092 /nfs/dbraw/zinc/98/90/92/811989092.db2.gz OKOKLPJTOUTBKB-MRXNPFEDSA-N 2 1 276.428 2.248 20 0 CEADMP CN(c1ccc([C@H]2CC[N@@H+](C)C2)cc1)C(C)(C)C[NH3+] ZINC001170060076 812014718 /nfs/dbraw/zinc/01/47/18/812014718.db2.gz FQRAZFKDWUEBEP-AWEZNQCLSA-N 2 1 261.413 2.279 20 0 CEADMP CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049531962 812159747 /nfs/dbraw/zinc/15/97/47/812159747.db2.gz FPULUDIKHBSMAH-XHSDSOJGSA-N 2 1 295.471 2.048 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001113307553 812213502 /nfs/dbraw/zinc/21/35/02/812213502.db2.gz IBQICACKOZOIEI-MRXNPFEDSA-N 2 1 297.487 2.297 20 0 CEADMP CC/C=C/CC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001113305103 812214142 /nfs/dbraw/zinc/21/41/42/812214142.db2.gz AVEBAPIPIJMFGK-KXPUMZMLSA-N 2 1 295.471 2.073 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)s1 ZINC001206175289 815510138 /nfs/dbraw/zinc/51/01/38/815510138.db2.gz UCDQWHBGIJPLGS-OLZOCXBDSA-N 2 1 272.389 2.156 20 0 CEADMP COCc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)s1 ZINC001206175289 815510143 /nfs/dbraw/zinc/51/01/43/815510143.db2.gz UCDQWHBGIJPLGS-OLZOCXBDSA-N 2 1 272.389 2.156 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC001113571582 812279573 /nfs/dbraw/zinc/27/95/73/812279573.db2.gz WKISNBKTUKXZPY-UHFFFAOYSA-N 2 1 297.487 2.299 20 0 CEADMP C[C@@H](Cc1ccccc1Cl)[NH2+]CCC[N@@H+](C)CCO ZINC001170263435 812365915 /nfs/dbraw/zinc/36/59/15/812365915.db2.gz LJNSKWIINJOZPN-ZDUSSCGKSA-N 2 1 284.831 2.175 20 0 CEADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254508273 812427448 /nfs/dbraw/zinc/42/74/48/812427448.db2.gz QDWXAAVQDGAVIT-ZIAGYGMSSA-N 2 1 299.459 2.364 20 0 CEADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001172801198 815532206 /nfs/dbraw/zinc/53/22/06/815532206.db2.gz FUDIRHUKWSRHQV-GJZGRUSLSA-N 2 1 294.439 2.278 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129839552 812515432 /nfs/dbraw/zinc/51/54/32/812515432.db2.gz BJDJJSSDBPGAFC-HZPDHXFCSA-N 2 1 297.487 2.249 20 0 CEADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170503519 812586934 /nfs/dbraw/zinc/58/69/34/812586934.db2.gz QRTGEVIUHIFFMU-ZIAGYGMSSA-N 2 1 270.417 2.040 20 0 CEADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170503519 812586937 /nfs/dbraw/zinc/58/69/37/812586937.db2.gz QRTGEVIUHIFFMU-ZIAGYGMSSA-N 2 1 270.417 2.040 20 0 CEADMP Cc1cc[nH+]c2cc(N[C@@H](C)[C@@H]3C[NH2+]CCO3)ccc12 ZINC001170566569 812685313 /nfs/dbraw/zinc/68/53/13/812685313.db2.gz BDWJHTNXMCKKFE-LRDDRELGSA-N 2 1 271.364 2.332 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)C1 ZINC001172935191 815552567 /nfs/dbraw/zinc/55/25/67/815552567.db2.gz KKKDICNOHPPBBE-UONOGXRCSA-N 2 1 295.427 2.074 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CC(C)C)C1 ZINC001132153027 812792097 /nfs/dbraw/zinc/79/20/97/812792097.db2.gz MILYSUPESDTZNO-LSDHHAIUSA-N 2 1 297.487 2.342 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(C)C)C1 ZINC001132153027 812792101 /nfs/dbraw/zinc/79/21/01/812792101.db2.gz MILYSUPESDTZNO-LSDHHAIUSA-N 2 1 297.487 2.342 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(C)C)C1 ZINC001132153027 812792105 /nfs/dbraw/zinc/79/21/05/812792105.db2.gz MILYSUPESDTZNO-LSDHHAIUSA-N 2 1 297.487 2.342 20 0 CEADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132247967 812808195 /nfs/dbraw/zinc/80/81/95/812808195.db2.gz AMFJRNBKISFPMP-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC001172940282 815554798 /nfs/dbraw/zinc/55/47/98/815554798.db2.gz WZZIJIWUQUUVMZ-CABCVRRESA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC001172940282 815554799 /nfs/dbraw/zinc/55/47/99/815554799.db2.gz WZZIJIWUQUUVMZ-CABCVRRESA-N 2 1 254.418 2.360 20 0 CEADMP CC[N@H+]1CCN(c2cc3[nH]ccc3c[nH+]2)C(C)(C)C1 ZINC001158563029 812810533 /nfs/dbraw/zinc/81/05/33/812810533.db2.gz SLDZJIXFJBKHKC-UHFFFAOYSA-N 2 1 258.369 2.483 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCC2)C1 ZINC001132375228 812837785 /nfs/dbraw/zinc/83/77/85/812837785.db2.gz BVLIEIIRBKMLJJ-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC=C(C)C)C1 ZINC001132441420 812856858 /nfs/dbraw/zinc/85/68/58/812856858.db2.gz OPDLCKVKUUFQLK-HOTGVXAUSA-N 2 1 295.471 2.264 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC=C(C)C)C1 ZINC001132441420 812856871 /nfs/dbraw/zinc/85/68/71/812856871.db2.gz OPDLCKVKUUFQLK-HOTGVXAUSA-N 2 1 295.471 2.264 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132441420 812856879 /nfs/dbraw/zinc/85/68/79/812856879.db2.gz OPDLCKVKUUFQLK-HOTGVXAUSA-N 2 1 295.471 2.264 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132739442 812935002 /nfs/dbraw/zinc/93/50/02/812935002.db2.gz QMHUHWMZKUKZQO-INIZCTEOSA-N 2 1 297.487 2.395 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC)CC1 ZINC001052426154 812991033 /nfs/dbraw/zinc/99/10/33/812991033.db2.gz LLYZRHWNJCKSEN-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC)CC1 ZINC001052426154 812991039 /nfs/dbraw/zinc/99/10/39/812991039.db2.gz LLYZRHWNJCKSEN-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC)CC1 ZINC001052426154 812991049 /nfs/dbraw/zinc/99/10/49/812991049.db2.gz LLYZRHWNJCKSEN-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)C1CCC2(CCOCC2)CC1 ZINC001173042769 815568979 /nfs/dbraw/zinc/56/89/79/815568979.db2.gz KOFKHCXQZORWQQ-CYBMUJFWSA-N 2 1 254.418 2.252 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](CC)CC2)C1 ZINC001052651882 813019908 /nfs/dbraw/zinc/01/99/08/813019908.db2.gz OHRVOQLQSMZFHF-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC)CC2)C1 ZINC001052651882 813019914 /nfs/dbraw/zinc/01/99/14/813019914.db2.gz OHRVOQLQSMZFHF-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC)CC2)C1 ZINC001052651882 813019921 /nfs/dbraw/zinc/01/99/21/813019921.db2.gz OHRVOQLQSMZFHF-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC001206581466 813021968 /nfs/dbraw/zinc/02/19/68/813021968.db2.gz JENPHMZJYNXQOJ-HOTGVXAUSA-N 3 1 267.461 2.229 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cc(F)cc(F)c4C3)C[C@@H]2C1 ZINC001170706518 813154524 /nfs/dbraw/zinc/15/45/24/813154524.db2.gz GGDQZAMRXGFUNC-GUTXKFCHSA-N 2 1 292.373 2.316 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4cc(F)cc(F)c4C3)C[C@@H]2C1 ZINC001170706518 813154528 /nfs/dbraw/zinc/15/45/28/813154528.db2.gz GGDQZAMRXGFUNC-GUTXKFCHSA-N 2 1 292.373 2.316 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4cc(F)cc(F)c4C3)C[C@@H]2C1 ZINC001170706518 813154530 /nfs/dbraw/zinc/15/45/30/813154530.db2.gz GGDQZAMRXGFUNC-GUTXKFCHSA-N 2 1 292.373 2.316 20 0 CEADMP C[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000390363259 813264280 /nfs/dbraw/zinc/26/42/80/813264280.db2.gz PPOKWZNDGUIEDM-HOCLYGCPSA-N 2 1 262.397 2.262 20 0 CEADMP C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000390363259 813264285 /nfs/dbraw/zinc/26/42/85/813264285.db2.gz PPOKWZNDGUIEDM-HOCLYGCPSA-N 2 1 262.397 2.262 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CCCC ZINC001135437767 813435573 /nfs/dbraw/zinc/43/55/73/813435573.db2.gz XAZVJCRISGLXEP-UHFFFAOYSA-N 2 1 271.449 2.004 20 0 CEADMP CC(C)[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135586144 813470127 /nfs/dbraw/zinc/47/01/27/813470127.db2.gz XEXQNKPTOFBARB-KGLIPLIRSA-N 2 1 294.443 2.288 20 0 CEADMP CC(C)CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072072373 813540318 /nfs/dbraw/zinc/54/03/18/813540318.db2.gz JJLBHOCDOOLJRW-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000396564942 813573496 /nfs/dbraw/zinc/57/34/96/813573496.db2.gz JNMJIULYLRQCED-SZMVWBNQSA-N 2 1 287.451 2.239 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001135980988 813577717 /nfs/dbraw/zinc/57/77/17/813577717.db2.gz VSPPETBROZRRED-HUUCEWRRSA-N 2 1 297.487 2.391 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(C)C ZINC001135980631 813578215 /nfs/dbraw/zinc/57/82/15/813578215.db2.gz QWPOOXCOKZRROV-GJZGRUSLSA-N 2 1 285.476 2.247 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000396669184 813580330 /nfs/dbraw/zinc/58/03/30/813580330.db2.gz PVOHNFXWZTZVEX-IUODEOHRSA-N 2 1 257.381 2.441 20 0 CEADMP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995154 813582088 /nfs/dbraw/zinc/58/20/88/813582088.db2.gz ACAGNMLEGRFLPR-CABCVRRESA-N 2 1 285.476 2.391 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCOC(F)(F)F ZINC000398305011 813667957 /nfs/dbraw/zinc/66/79/57/813667957.db2.gz LKWQOTXBHNSLRM-FGWVZKOKSA-N 2 1 266.307 2.257 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCOC(F)(F)F ZINC000398305011 813667959 /nfs/dbraw/zinc/66/79/59/813667959.db2.gz LKWQOTXBHNSLRM-FGWVZKOKSA-N 2 1 266.307 2.257 20 0 CEADMP C1CCC([N@H+]2CCC[C@@H](N[C@H]3CCCC[NH2+]C3)C2)C1 ZINC001246090663 813678724 /nfs/dbraw/zinc/67/87/24/813678724.db2.gz LOTBRDXMRHWMKA-LSDHHAIUSA-N 2 1 265.445 2.125 20 0 CEADMP C1CCC2(CC1)C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CC[NH2+]2 ZINC001246097035 813685395 /nfs/dbraw/zinc/68/53/95/813685395.db2.gz MRTNWZRCJJIIMA-HUUCEWRRSA-N 3 1 265.445 2.173 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246102589 813694065 /nfs/dbraw/zinc/69/40/65/813694065.db2.gz RPQAPRWNJWVXSI-NPJQDHAYSA-N 3 1 267.461 2.131 20 0 CEADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246102486 813694153 /nfs/dbraw/zinc/69/41/53/813694153.db2.gz PKYKZODYCZVTOB-TYNCELHUSA-N 2 1 250.361 2.344 20 0 CEADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](C)CCCC(C)C ZINC001246199590 813729096 /nfs/dbraw/zinc/72/90/96/813729096.db2.gz KTVBUOVYPYQGQX-RRFJBIMHSA-N 2 1 284.444 2.332 20 0 CEADMP CC(C)CC[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160273389 813753719 /nfs/dbraw/zinc/75/37/19/813753719.db2.gz LNVNBLAGLXZXAZ-OAHLLOKOSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCc2ccc(F)cc2F)C[NH2+]1 ZINC001246323034 813776256 /nfs/dbraw/zinc/77/62/56/813776256.db2.gz IRERFQSEZWMSON-MFKMUULPSA-N 2 1 254.324 2.237 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CCC2(C)C)C1 ZINC001246334531 813789671 /nfs/dbraw/zinc/78/96/71/813789671.db2.gz ZZCYQPCMTQUKAT-MGPQQGTHSA-N 2 1 282.428 2.086 20 0 CEADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)C(C)C)[NH+](C)C ZINC001074066845 813801608 /nfs/dbraw/zinc/80/16/08/813801608.db2.gz RMJOXLUCOHUPFC-CABCVRRESA-N 2 1 283.460 2.048 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@H]2C1 ZINC001137029413 813843447 /nfs/dbraw/zinc/84/34/47/813843447.db2.gz XFAUQNAHFYBNGP-QZTJIDSGSA-N 2 1 286.419 2.490 20 0 CEADMP C[C@]1([NH3+])CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246537080 813929515 /nfs/dbraw/zinc/92/95/15/813929515.db2.gz AYTZIFILYANDEC-PCKAHOCUSA-N 2 1 265.445 2.112 20 0 CEADMP C[C@]1([NH3+])CCCN(C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246537080 813929521 /nfs/dbraw/zinc/92/95/21/813929521.db2.gz AYTZIFILYANDEC-PCKAHOCUSA-N 2 1 265.445 2.112 20 0 CEADMP C[C@]1(N)CCC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246537080 813929528 /nfs/dbraw/zinc/92/95/28/813929528.db2.gz AYTZIFILYANDEC-PCKAHOCUSA-N 2 1 265.445 2.112 20 0 CEADMP C[C@]1(N)CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246537080 813929534 /nfs/dbraw/zinc/92/95/34/813929534.db2.gz AYTZIFILYANDEC-PCKAHOCUSA-N 2 1 265.445 2.112 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246540799 813954478 /nfs/dbraw/zinc/95/44/78/813954478.db2.gz TZBMZMGAVHLYJA-JHJVBQTASA-N 2 1 284.400 2.153 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246540799 813954484 /nfs/dbraw/zinc/95/44/84/813954484.db2.gz TZBMZMGAVHLYJA-JHJVBQTASA-N 2 1 284.400 2.153 20 0 CEADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]([NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246542495 813956977 /nfs/dbraw/zinc/95/69/77/813956977.db2.gz PPFCPPZMQCMYCM-XQLPTFJDSA-N 3 1 253.434 2.109 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246542495 813956983 /nfs/dbraw/zinc/95/69/83/813956983.db2.gz PPFCPPZMQCMYCM-XQLPTFJDSA-N 3 1 253.434 2.109 20 0 CEADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001099198747 813993557 /nfs/dbraw/zinc/99/35/57/813993557.db2.gz DZMSVUJEZPJCTM-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@H]1CC[N@H+](C2CCC3(COC3)CC2)CC[C@@H]1C[NH3+] ZINC001246559038 814040932 /nfs/dbraw/zinc/04/09/32/814040932.db2.gz OJXPACIFMNRUDO-UONOGXRCSA-N 2 1 266.429 2.252 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246571305 814094125 /nfs/dbraw/zinc/09/41/25/814094125.db2.gz BBSKBOMZZXHGOS-FZKCQIBNSA-N 3 1 265.445 2.110 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CC2CCC2)C1 ZINC001100456854 814130795 /nfs/dbraw/zinc/13/07/95/814130795.db2.gz FSWGSMUILQWDGK-UHFFFAOYSA-N 2 1 295.471 2.001 20 0 CEADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCCC3(CCCCC3)C2)C[C@@H]1O ZINC001246579578 814140993 /nfs/dbraw/zinc/14/09/93/814140993.db2.gz FVKQZCLDJCMZLX-KKUMJFAQSA-N 2 1 266.429 2.131 20 0 CEADMP COC(=O)C1(C)CCC([N@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC001246580524 814148163 /nfs/dbraw/zinc/14/81/63/814148163.db2.gz GXRYOVZVFGGKBW-VQCLRJIVSA-N 2 1 282.428 2.169 20 0 CEADMP [NH3+]C[C@H]1CCCC[N@H+]([C@H]2CCc3ncsc3C2)C1 ZINC001246583427 814159149 /nfs/dbraw/zinc/15/91/49/814159149.db2.gz QVDHHZKCUXQFII-NEPJUHHUSA-N 2 1 265.426 2.061 20 0 CEADMP [NH3+]C[C@@H]1CCCC[N@H+](C2Cc3cc(F)c(F)cc3C2)C1 ZINC001246585995 814168496 /nfs/dbraw/zinc/16/84/96/814168496.db2.gz ZKTAAEDZFYHINA-NSHDSACASA-N 2 1 280.362 2.493 20 0 CEADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)CCO1 ZINC001246588018 814176530 /nfs/dbraw/zinc/17/65/30/814176530.db2.gz XOLVHDZEFSYGRD-DZGCQCFKSA-N 2 1 254.418 2.395 20 0 CEADMP CC(C)OC1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246592889 814184540 /nfs/dbraw/zinc/18/45/40/814184540.db2.gz WEBLVOVYYBRZDE-NEXFUWMNSA-N 2 1 272.408 2.484 20 0 CEADMP CC(C)OC1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246592889 814184542 /nfs/dbraw/zinc/18/45/42/814184542.db2.gz WEBLVOVYYBRZDE-NEXFUWMNSA-N 2 1 272.408 2.484 20 0 CEADMP C[C@@H]1CC[N@@H+]([C@H]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246593457 814188789 /nfs/dbraw/zinc/18/87/89/814188789.db2.gz HUUBNGBVSRXXBQ-OCCSQVGLSA-N 2 1 262.372 2.367 20 0 CEADMP C[C@@H]1CC[N@H+]([C@H]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246593457 814188792 /nfs/dbraw/zinc/18/87/92/814188792.db2.gz HUUBNGBVSRXXBQ-OCCSQVGLSA-N 2 1 262.372 2.367 20 0 CEADMP C1CC2(C1)C[C@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)CC[NH2+]2 ZINC001246604889 814204620 /nfs/dbraw/zinc/20/46/20/814204620.db2.gz JBAKKUAGALZITH-WBVHZDCISA-N 3 1 277.456 2.269 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001101036169 814216242 /nfs/dbraw/zinc/21/62/42/814216242.db2.gz JIYGEKSKDYNPAH-UHFFFAOYSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)(C)[C@H]1C[C@@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CC[NH2+]1 ZINC001246651789 814245601 /nfs/dbraw/zinc/24/56/01/814245601.db2.gz ZSAHZCXOJNVKFG-LSDHHAIUSA-N 3 1 279.472 2.229 20 0 CEADMP COc1cc2[nH+]c(NC/C=C/C[NH3+])ccc2c(OC)c1 ZINC001160982336 814307577 /nfs/dbraw/zinc/30/75/77/814307577.db2.gz IGXIAYDHXPTOQU-ONEGZZNKSA-N 2 1 273.336 2.179 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CCCOC3)CC2)CC[NH2+]1 ZINC001246900809 814355035 /nfs/dbraw/zinc/35/50/35/814355035.db2.gz XLIXIYMXJAXKJA-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP C1CC1[N@H+]([C@H]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCCNC1 ZINC001246913876 814389931 /nfs/dbraw/zinc/38/99/31/814389931.db2.gz IHIQKRLJIVOBEU-HOTGVXAUSA-N 2 1 277.456 2.125 20 0 CEADMP C1CC1[N@@H+]([C@H]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCCNC1 ZINC001246913876 814389938 /nfs/dbraw/zinc/38/99/38/814389938.db2.gz IHIQKRLJIVOBEU-HOTGVXAUSA-N 2 1 277.456 2.125 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1ccccc1 ZINC001148577770 814590259 /nfs/dbraw/zinc/59/02/59/814590259.db2.gz CBPLELUBFHZVQU-HNNXBMFYSA-N 2 1 291.439 2.185 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CCCCC1 ZINC000695131081 814638720 /nfs/dbraw/zinc/63/87/20/814638720.db2.gz GSWGYJGTOATACQ-VHDGCEQUSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@@H]1CCSCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699226060 814663353 /nfs/dbraw/zinc/66/33/53/814663353.db2.gz JVOFCMXXZXYJEZ-RLAWYHOSSA-N 2 1 254.443 2.344 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712454447 814748072 /nfs/dbraw/zinc/74/80/72/814748072.db2.gz WQGSDEVNBTZQKP-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ncsc3C1)C2 ZINC001173123469 815588445 /nfs/dbraw/zinc/58/84/45/815588445.db2.gz DNBQBMQQQYEPLJ-FVCCEPFGSA-N 2 1 277.437 2.215 20 0 CEADMP C(C[N@H+]1CC[NH2+]CCC12CCC2)[C@@H]1CCCCO1 ZINC000713127061 814845230 /nfs/dbraw/zinc/84/52/30/814845230.db2.gz WLYPKPZKLNHYEQ-AWEZNQCLSA-N 2 1 252.402 2.164 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2scnc2Cl)C1 ZINC000713483391 814858707 /nfs/dbraw/zinc/85/87/07/814858707.db2.gz CGXSJNUAOUEEQJ-VIFPVBQESA-N 2 1 259.806 2.357 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713590231 814865666 /nfs/dbraw/zinc/86/56/66/814865666.db2.gz CNITZAUQNPSDBP-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP CC1(C)CC[C@@H](C[N@H+]2CCCC[C@@H]2CC[NH3+])OC1 ZINC000713597373 814868012 /nfs/dbraw/zinc/86/80/12/814868012.db2.gz SXIGOJVLUUPOAC-KGLIPLIRSA-N 2 1 254.418 2.395 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000714994141 814920956 /nfs/dbraw/zinc/92/09/56/814920956.db2.gz GBYMBBKGFQJVHT-CVEARBPZSA-N 2 1 274.408 2.448 20 0 CEADMP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3c(C)cccc3C)C[C@@H]2C1 ZINC001137850324 815696701 /nfs/dbraw/zinc/69/67/01/815696701.db2.gz CCWRIACWTOGAMB-FUHWJXTLSA-N 2 1 288.435 2.456 20 0 CEADMP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3c(C)cccc3C)C[C@@H]2C1 ZINC001137850324 815696705 /nfs/dbraw/zinc/69/67/05/815696705.db2.gz CCWRIACWTOGAMB-FUHWJXTLSA-N 2 1 288.435 2.456 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3c(C)cccc3C)C[C@@H]2C1 ZINC001137850324 815696710 /nfs/dbraw/zinc/69/67/10/815696710.db2.gz CCWRIACWTOGAMB-FUHWJXTLSA-N 2 1 288.435 2.456 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@@H]2C1 ZINC001137850324 815696716 /nfs/dbraw/zinc/69/67/16/815696716.db2.gz CCWRIACWTOGAMB-FUHWJXTLSA-N 2 1 288.435 2.456 20 0 CEADMP CC[N@@H+]1CC[C@@H](N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC001173356759 815697667 /nfs/dbraw/zinc/69/76/67/815697667.db2.gz KIPLCFZZQFAMSX-SJORKVTESA-N 2 1 273.424 2.069 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC001173356759 815697671 /nfs/dbraw/zinc/69/76/71/815697671.db2.gz KIPLCFZZQFAMSX-SJORKVTESA-N 2 1 273.424 2.069 20 0 CEADMP CC[NH+]1CC[C@@H](N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC001173356759 815697675 /nfs/dbraw/zinc/69/76/75/815697675.db2.gz KIPLCFZZQFAMSX-SJORKVTESA-N 2 1 273.424 2.069 20 0 CEADMP CC[NH+]1CC[C@@H](N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC001173356759 815697680 /nfs/dbraw/zinc/69/76/80/815697680.db2.gz KIPLCFZZQFAMSX-SJORKVTESA-N 2 1 273.424 2.069 20 0 CEADMP CC[N@H+]1CC[C@H](n2ccc3cc(CC[NH3+])ccc32)C1 ZINC001173357142 815697812 /nfs/dbraw/zinc/69/78/12/815697812.db2.gz IKSDOVQDDLKKIO-HNNXBMFYSA-N 2 1 257.381 2.409 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CCC([NH+]3CCCCC3)CC2)C1 ZINC001173356812 815698423 /nfs/dbraw/zinc/69/84/23/815698423.db2.gz LDBRIPCTHSPJDZ-MRXNPFEDSA-N 2 1 265.445 2.031 20 0 CEADMP CC[N@H+]1CC[C@H](n2ccc3c2cccc3N2CC[NH2+]CC2)C1 ZINC001173365480 815703075 /nfs/dbraw/zinc/70/30/75/815703075.db2.gz IXCJARURAZFSGC-HNNXBMFYSA-N 2 1 298.434 2.318 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]C2Cc3cc(F)c(F)cc3C2)C1 ZINC001173472164 815723354 /nfs/dbraw/zinc/72/33/54/815723354.db2.gz WVXLOSWJIAWWME-NSHDSACASA-N 2 1 280.362 2.363 20 0 CEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C1Cc3cc(F)c(F)cc3C1)C2 ZINC001173484136 815727405 /nfs/dbraw/zinc/72/74/05/815727405.db2.gz PLKIFTWMEBKFKX-CXAGYDPISA-N 2 1 292.373 2.316 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](CC)CCC[NH+](C)C)C1 ZINC001173650622 815791642 /nfs/dbraw/zinc/79/16/42/815791642.db2.gz BEWAZSZLSXYKFZ-CABCVRRESA-N 2 1 284.444 2.382 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2cccc3c2CCC3)CC[C@@H]1F ZINC001206212017 815802511 /nfs/dbraw/zinc/80/25/11/815802511.db2.gz RBQXMRUVWOMPNJ-HOTGVXAUSA-N 2 1 262.372 2.437 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc3c2CCC3)CC[C@@H]1F ZINC001206212017 815802517 /nfs/dbraw/zinc/80/25/17/815802517.db2.gz RBQXMRUVWOMPNJ-HOTGVXAUSA-N 2 1 262.372 2.437 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc3c2CCC3)CC[C@@H]1F ZINC001206212019 815803269 /nfs/dbraw/zinc/80/32/69/815803269.db2.gz RBQXMRUVWOMPNJ-JKSUJKDBSA-N 2 1 262.372 2.437 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3c2CCC3)CC[C@@H]1F ZINC001206212019 815803280 /nfs/dbraw/zinc/80/32/80/815803280.db2.gz RBQXMRUVWOMPNJ-JKSUJKDBSA-N 2 1 262.372 2.437 20 0 CEADMP COCC1C[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138543794 815821830 /nfs/dbraw/zinc/82/18/30/815821830.db2.gz VAZNFDIAEOANRP-UHFFFAOYSA-N 2 1 271.364 2.259 20 0 CEADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC(C)(C)C3)s2)CC1 ZINC001139324775 816004277 /nfs/dbraw/zinc/00/42/77/816004277.db2.gz OKKJNTIROOVECX-UHFFFAOYSA-N 2 1 294.468 2.127 20 0 CEADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC(C)(C)C3)s2)CC1 ZINC001139324775 816004285 /nfs/dbraw/zinc/00/42/85/816004285.db2.gz OKKJNTIROOVECX-UHFFFAOYSA-N 2 1 294.468 2.127 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CCCC4(COC4)C3)cc2)cn1 ZINC001139356441 816011539 /nfs/dbraw/zinc/01/15/39/816011539.db2.gz MAZAOJUUOZHKAJ-UHFFFAOYSA-N 2 1 283.375 2.485 20 0 CEADMP Cc1cc(Nc2ccccc2C[NH+]2CCN(C)CC2)cc[nH+]1 ZINC001174655530 816067499 /nfs/dbraw/zinc/06/74/99/816067499.db2.gz JRHCYCFVXLBUTB-UHFFFAOYSA-N 2 1 296.418 2.303 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905878 816107611 /nfs/dbraw/zinc/10/76/11/816107611.db2.gz OWOXXTMUHXJHOD-JYJNAYRXSA-N 2 1 297.487 2.391 20 0 CEADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC001140025703 816169486 /nfs/dbraw/zinc/16/94/86/816169486.db2.gz SCTKBMMSCGROKL-QGZVFWFLSA-N 2 1 296.418 2.461 20 0 CEADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC001140025703 816169492 /nfs/dbraw/zinc/16/94/92/816169492.db2.gz SCTKBMMSCGROKL-QGZVFWFLSA-N 2 1 296.418 2.461 20 0 CEADMP C[NH+]1CCC2(C[NH+](Cc3ccc(O)cc3F)C2)CC1 ZINC001140128480 816195418 /nfs/dbraw/zinc/19/54/18/816195418.db2.gz PQGJSCKLJAYGCU-UHFFFAOYSA-N 2 1 264.344 2.059 20 0 CEADMP CC[NH+]1C[C@@H]2C[NH+](Cc3c[nH]c4cccc(O)c34)C[C@H]2C1 ZINC001140238240 816215128 /nfs/dbraw/zinc/21/51/28/816215128.db2.gz DGAJSUKQMZEUBB-ZIAGYGMSSA-N 2 1 285.391 2.257 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(O)c(C)c1 ZINC001140576477 816287719 /nfs/dbraw/zinc/28/77/19/816287719.db2.gz XMMSCLNMTYUOMS-UHFFFAOYSA-N 2 1 250.386 2.474 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(O)c(C)c1 ZINC001140576477 816287726 /nfs/dbraw/zinc/28/77/26/816287726.db2.gz XMMSCLNMTYUOMS-UHFFFAOYSA-N 2 1 250.386 2.474 20 0 CEADMP C[NH+]1CCN(c2ccc(Nc3[nH]cc[nH+]3)cc2F)CC1 ZINC001176085110 816337058 /nfs/dbraw/zinc/33/70/58/816337058.db2.gz WTFUNOJJLNWXFH-UHFFFAOYSA-N 2 1 275.331 2.044 20 0 CEADMP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc2c(c1)CCCN2 ZINC001206263299 816362666 /nfs/dbraw/zinc/36/26/66/816362666.db2.gz USZDSTPZPHDIIP-ZDUSSCGKSA-N 2 1 259.397 2.229 20 0 CEADMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc2c(c1)CCCN2 ZINC001206263299 816362676 /nfs/dbraw/zinc/36/26/76/816362676.db2.gz USZDSTPZPHDIIP-ZDUSSCGKSA-N 2 1 259.397 2.229 20 0 CEADMP CN1CC2(C1)CCC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001276403545 816412221 /nfs/dbraw/zinc/41/22/21/816412221.db2.gz CWAKXTCVXPZCEF-UHFFFAOYSA-N 2 1 270.380 2.091 20 0 CEADMP CN1CC2(C1)CCC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001276403545 816412226 /nfs/dbraw/zinc/41/22/26/816412226.db2.gz CWAKXTCVXPZCEF-UHFFFAOYSA-N 2 1 270.380 2.091 20 0 CEADMP Cc1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)n[nH]1 ZINC001203080652 816418191 /nfs/dbraw/zinc/41/81/91/816418191.db2.gz AIVAJVMQJVZVSC-UHFFFAOYSA-N 2 1 262.401 2.026 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001276403753 816426289 /nfs/dbraw/zinc/42/62/89/816426289.db2.gz GWDYVDXDCKDRKC-KRWDZBQOSA-N 2 1 284.407 2.481 20 0 CEADMP C[N@@H+](Cc1ccccc1N1CC[NH+](C)CC1)C1CC1 ZINC001140969216 816428275 /nfs/dbraw/zinc/42/82/75/816428275.db2.gz ZGMRDFPFQZNJCG-UHFFFAOYSA-N 2 1 259.397 2.033 20 0 CEADMP CCC(CC)C[NH2+]CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001176857413 816492340 /nfs/dbraw/zinc/49/23/40/816492340.db2.gz WBDLGDFIHKWFAF-GASCZTMLSA-N 2 1 297.487 2.391 20 0 CEADMP CCCCCC[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176975894 816502859 /nfs/dbraw/zinc/50/28/59/816502859.db2.gz ZGTSLVWKVCGAAU-UHFFFAOYSA-N 2 1 271.449 2.003 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(-n2ccnc2)c1 ZINC001141237022 816509485 /nfs/dbraw/zinc/50/94/85/816509485.db2.gz KJGVWZZISYIVAX-UHFFFAOYSA-N 2 1 272.396 2.256 20 0 CEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc(-n3ccnc3)c1)C2 ZINC001141244378 816513144 /nfs/dbraw/zinc/51/31/44/816513144.db2.gz LKUXOPPJZKDSKY-SJLPKXTDSA-N 2 1 296.418 2.256 20 0 CEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(-n3ccnc3)c1)C2 ZINC001141244378 816513147 /nfs/dbraw/zinc/51/31/47/816513147.db2.gz LKUXOPPJZKDSKY-SJLPKXTDSA-N 2 1 296.418 2.256 20 0 CEADMP Cc1nc(C(F)(F)F)ccc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001141432840 816538357 /nfs/dbraw/zinc/53/83/57/816538357.db2.gz NVRHFSBZSKJUNS-BETUJISGSA-N 2 1 299.340 2.402 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cnc1F ZINC001206317289 816678529 /nfs/dbraw/zinc/67/85/29/816678529.db2.gz FFERHVYMZLRHNN-HNNXBMFYSA-N 2 1 265.376 2.480 20 0 CEADMP CC(C)CN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001142590683 816690626 /nfs/dbraw/zinc/69/06/26/816690626.db2.gz MDHYXDTWNJRBRY-SHTZXODSSA-N 2 1 283.460 2.081 20 0 CEADMP CC[N@@H+](C)C1CCN(Cc2cccc3[nH]cnc32)CC1 ZINC001142696299 816714098 /nfs/dbraw/zinc/71/40/98/816714098.db2.gz KCXPQQPZJXKTIA-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(Cc3occc3Br)C[C@@H]2C1 ZINC001143118973 816787134 /nfs/dbraw/zinc/78/71/34/816787134.db2.gz DJJINIXGMPGJLQ-MNOVXSKESA-N 2 1 299.212 2.426 20 0 CEADMP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001179337489 816855082 /nfs/dbraw/zinc/85/50/82/816855082.db2.gz ONYMPVJSLNSMIJ-UGUYLWEFSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179586470 816879366 /nfs/dbraw/zinc/87/93/66/816879366.db2.gz PAQNJNKDHADWPR-INIZCTEOSA-N 2 1 297.487 2.250 20 0 CEADMP CCOc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cn1 ZINC001206632058 816890463 /nfs/dbraw/zinc/89/04/63/816890463.db2.gz FIJNHVFQWPPDPD-CYBMUJFWSA-N 2 1 263.385 2.041 20 0 CEADMP COCC1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000449076653 282090923 /nfs/dbraw/zinc/09/09/23/282090923.db2.gz QBALKSVIJSBBPR-SLTAFYQDSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000449083080 282093150 /nfs/dbraw/zinc/09/31/50/282093150.db2.gz AKVBQKVOUQRYFC-LSDHHAIUSA-N 2 1 283.460 2.003 20 0 CEADMP CCC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000449123573 282109551 /nfs/dbraw/zinc/10/95/51/282109551.db2.gz CURHFLLZGBCROF-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000337530768 214142564 /nfs/dbraw/zinc/14/25/64/214142564.db2.gz UYTDIQJHXSBLHA-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC(C)(C)C)[NH2+]C)C1 ZINC000449141358 282116444 /nfs/dbraw/zinc/11/64/44/282116444.db2.gz PWZXJYGKCWSGLB-LSDHHAIUSA-N 2 1 297.487 2.201 20 0 CEADMP C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OCC1CC1 ZINC000121813085 365618144 /nfs/dbraw/zinc/61/81/44/365618144.db2.gz VFLLOXFPZQRRIQ-INIZCTEOSA-N 2 1 266.429 2.363 20 0 CEADMP C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OCC1CC1 ZINC000121813085 365618147 /nfs/dbraw/zinc/61/81/47/365618147.db2.gz VFLLOXFPZQRRIQ-INIZCTEOSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+](CCC[NH+]1CCCCC1)C[C@H]1CCCCO1 ZINC000124993190 187165044 /nfs/dbraw/zinc/16/50/44/187165044.db2.gz FXXHRHUPKXWSHM-OAHLLOKOSA-N 2 1 254.418 2.363 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@H]1CCCCO1 ZINC000124993190 187165045 /nfs/dbraw/zinc/16/50/45/187165045.db2.gz FXXHRHUPKXWSHM-OAHLLOKOSA-N 2 1 254.418 2.363 20 0 CEADMP COC(=O)CC[N@H+](CCCn1cc[nH+]c1C)CC(C)C ZINC000125032531 187166663 /nfs/dbraw/zinc/16/66/63/187166663.db2.gz CYSOUACCXUYYPD-UHFFFAOYSA-N 2 1 281.400 2.103 20 0 CEADMP COC(=O)CC[N@@H+](CCCn1cc[nH+]c1C)CC(C)C ZINC000125032531 187166664 /nfs/dbraw/zinc/16/66/64/187166664.db2.gz CYSOUACCXUYYPD-UHFFFAOYSA-N 2 1 281.400 2.103 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000449163041 282127123 /nfs/dbraw/zinc/12/71/23/282127123.db2.gz LDMGWXLAXZXCJF-AWEZNQCLSA-N 2 1 294.443 2.064 20 0 CEADMP Cc1cccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)n1 ZINC000336571174 365659122 /nfs/dbraw/zinc/65/91/22/365659122.db2.gz KBQPXSBRTQHANL-ZDUSSCGKSA-N 2 1 256.353 2.493 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000449162463 282126575 /nfs/dbraw/zinc/12/65/75/282126575.db2.gz JFKVDMVKYJFTKC-YRGRVCCFSA-N 2 1 251.374 2.127 20 0 CEADMP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000601334907 346823840 /nfs/dbraw/zinc/82/38/40/346823840.db2.gz OGZPZWBGMFEBAQ-HZPDHXFCSA-N 2 1 288.391 2.047 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000601334907 346823842 /nfs/dbraw/zinc/82/38/42/346823842.db2.gz OGZPZWBGMFEBAQ-HZPDHXFCSA-N 2 1 288.391 2.047 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000337748253 214245390 /nfs/dbraw/zinc/24/53/90/214245390.db2.gz HMOPRAYZGAUULB-QGZVFWFLSA-N 2 1 276.424 2.307 20 0 CEADMP CCOc1cncc(CNC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000621369284 349582079 /nfs/dbraw/zinc/58/20/79/349582079.db2.gz KVAYIERMDUQUOH-AWEZNQCLSA-N 2 1 277.412 2.443 20 0 CEADMP CCOc1cncc(CNC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000621369284 349582083 /nfs/dbraw/zinc/58/20/83/349582083.db2.gz KVAYIERMDUQUOH-AWEZNQCLSA-N 2 1 277.412 2.443 20 0 CEADMP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000036300342 361839890 /nfs/dbraw/zinc/83/98/90/361839890.db2.gz LIKDXAOPYDAKHY-UHFFFAOYSA-N 2 1 295.814 2.352 20 0 CEADMP CC(C)[NH+](CCN[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C(C)C ZINC000036907532 361870640 /nfs/dbraw/zinc/87/06/40/361870640.db2.gz PUSWTCPOGWLBRK-PMPSAXMXSA-N 2 1 269.477 2.424 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000037051759 361893067 /nfs/dbraw/zinc/89/30/67/361893067.db2.gz BIHAOBVKTWKOTB-OAHLLOKOSA-N 2 1 276.428 2.263 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000037644502 361918015 /nfs/dbraw/zinc/91/80/15/361918015.db2.gz SNLZEKZDBQPFJH-INIZCTEOSA-N 2 1 284.407 2.304 20 0 CEADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC[NH3+] ZINC000037712460 361923062 /nfs/dbraw/zinc/92/30/62/361923062.db2.gz MKYJIYSSYCMTBM-JTQLQIEISA-N 2 1 258.312 2.157 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000125474638 187186560 /nfs/dbraw/zinc/18/65/60/187186560.db2.gz JCNFFXSRWUXNOA-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H]1CCCO1 ZINC000125474638 187186561 /nfs/dbraw/zinc/18/65/61/187186561.db2.gz JCNFFXSRWUXNOA-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000037901341 361962020 /nfs/dbraw/zinc/96/20/20/361962020.db2.gz MIQJJYYIVHGGMG-ZFWWWQNUSA-N 2 1 283.460 2.131 20 0 CEADMP CCc1cnc(C[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000337947164 214325962 /nfs/dbraw/zinc/32/59/62/214325962.db2.gz JBJDURPZDPRYGF-UHFFFAOYSA-N 2 1 264.398 2.390 20 0 CEADMP CCc1cc(N[C@@H](C)C[NH+](CC)CC)nc(C)[nH+]1 ZINC000088760342 539029734 /nfs/dbraw/zinc/02/97/34/539029734.db2.gz UMLJXBKTIMAZKW-NSHDSACASA-N 2 1 250.390 2.490 20 0 CEADMP CCOC[C@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000338012917 214360288 /nfs/dbraw/zinc/36/02/88/214360288.db2.gz PFZARVQWRJIARA-HUUCEWRRSA-N 2 1 265.401 2.376 20 0 CEADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)C1(C(=O)OC)CCC1 ZINC000338014240 214360518 /nfs/dbraw/zinc/36/05/18/214360518.db2.gz FBPNXDJKPQJSTF-CQSZACIVSA-N 2 1 293.411 2.293 20 0 CEADMP CCC(CC)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414788541 282163894 /nfs/dbraw/zinc/16/38/94/282163894.db2.gz WXUYTRDJKHYBPW-CQSZACIVSA-N 2 1 254.418 2.110 20 0 CEADMP CCOc1cncc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000621719759 349676720 /nfs/dbraw/zinc/67/67/20/349676720.db2.gz VUBVSKVTEXVNOW-DOTOQJQBSA-N 2 1 289.423 2.396 20 0 CEADMP C[N@@H+](CCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000449320948 282186777 /nfs/dbraw/zinc/18/67/77/282186777.db2.gz QEILPHHXSNIBNH-ZBFHGGJFSA-N 2 1 295.471 2.275 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125948604 365691782 /nfs/dbraw/zinc/69/17/82/365691782.db2.gz ORACVWRELOAVQF-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CC(=O)N1CC[C@H]([NH2+]CCc2c[nH+]cn2C)c2ccccc21 ZINC000621760037 349694223 /nfs/dbraw/zinc/69/42/23/349694223.db2.gz DJBIDCOTPJIVAD-INIZCTEOSA-N 2 1 298.390 2.050 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc3c(c1)CCC3)C2 ZINC000621782038 349701073 /nfs/dbraw/zinc/70/10/73/349701073.db2.gz LSQHTYNSUTURBN-IRXDYDNUSA-N 2 1 256.393 2.489 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc3c(c1)CCC3)C2 ZINC000621782038 349701076 /nfs/dbraw/zinc/70/10/76/349701076.db2.gz LSQHTYNSUTURBN-IRXDYDNUSA-N 2 1 256.393 2.489 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000621782087 349701357 /nfs/dbraw/zinc/70/13/57/349701357.db2.gz MGKTYQJNQOVFSL-WBVHZDCISA-N 2 1 282.391 2.186 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000621782087 349701359 /nfs/dbraw/zinc/70/13/59/349701359.db2.gz MGKTYQJNQOVFSL-WBVHZDCISA-N 2 1 282.391 2.186 20 0 CEADMP COc1c(C)c[nH+]c(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)c1C ZINC000621783219 349702438 /nfs/dbraw/zinc/70/24/38/349702438.db2.gz YUQNETYGIRLERH-XJKSGUPXSA-N 2 1 275.396 2.020 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCCc1ccsc1)C2 ZINC000621784376 349702441 /nfs/dbraw/zinc/70/24/41/349702441.db2.gz OCBGHRAJSHTGMK-ZIAGYGMSSA-N 2 1 250.411 2.494 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCc1ccsc1)C2 ZINC000621784376 349702443 /nfs/dbraw/zinc/70/24/43/349702443.db2.gz OCBGHRAJSHTGMK-ZIAGYGMSSA-N 2 1 250.411 2.494 20 0 CEADMP C[NH2+]CCC[N@H+](C)CCSc1ccc(F)cc1 ZINC000124956678 539211857 /nfs/dbraw/zinc/21/18/57/539211857.db2.gz KFCJKJZUEIOHKX-UHFFFAOYSA-N 2 1 256.390 2.459 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCSc1ccc(F)cc1 ZINC000124956678 539211859 /nfs/dbraw/zinc/21/18/59/539211859.db2.gz KFCJKJZUEIOHKX-UHFFFAOYSA-N 2 1 256.390 2.459 20 0 CEADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000621776147 349698262 /nfs/dbraw/zinc/69/82/62/349698262.db2.gz CYYFGKHCERRAHZ-LSDHHAIUSA-N 2 1 275.396 2.054 20 0 CEADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000621776147 349698265 /nfs/dbraw/zinc/69/82/65/349698265.db2.gz CYYFGKHCERRAHZ-LSDHHAIUSA-N 2 1 275.396 2.054 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353525761 282195042 /nfs/dbraw/zinc/19/50/42/282195042.db2.gz ZAJGQIICKKNFFN-MZBWOGCUSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353525761 282195043 /nfs/dbraw/zinc/19/50/43/282195043.db2.gz ZAJGQIICKKNFFN-MZBWOGCUSA-N 3 1 279.472 2.322 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353525761 282195044 /nfs/dbraw/zinc/19/50/44/282195044.db2.gz ZAJGQIICKKNFFN-MZBWOGCUSA-N 3 1 279.472 2.322 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(CO)cc2)[C@H](C)C1 ZINC000126271786 539228601 /nfs/dbraw/zinc/22/86/01/539228601.db2.gz KBPFDJJAFOIQAZ-RHSMWYFYSA-N 2 1 276.424 2.041 20 0 CEADMP CC[C@@H]1COCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000091980242 539229359 /nfs/dbraw/zinc/22/93/59/539229359.db2.gz HXERFDMIHKCFIJ-MRXNPFEDSA-N 2 1 292.423 2.238 20 0 CEADMP CC[C@@H]1COCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000091980242 539229361 /nfs/dbraw/zinc/22/93/61/539229361.db2.gz HXERFDMIHKCFIJ-MRXNPFEDSA-N 2 1 292.423 2.238 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C[C@@H]1C ZINC000449367854 282202717 /nfs/dbraw/zinc/20/27/17/282202717.db2.gz ZHVONPHNWJXHAM-VGWMRTNUSA-N 2 1 295.471 2.225 20 0 CEADMP Cc1nccn1CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166695598 539257428 /nfs/dbraw/zinc/25/74/28/539257428.db2.gz QBFMHAORFBDTTO-HZPDHXFCSA-N 2 1 276.428 2.188 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166695598 539257429 /nfs/dbraw/zinc/25/74/29/539257429.db2.gz QBFMHAORFBDTTO-HZPDHXFCSA-N 3 1 276.428 2.188 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166695598 539257430 /nfs/dbraw/zinc/25/74/30/539257430.db2.gz QBFMHAORFBDTTO-HZPDHXFCSA-N 3 1 276.428 2.188 20 0 CEADMP COC1(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CCCCC1 ZINC000668785001 539271982 /nfs/dbraw/zinc/27/19/82/539271982.db2.gz KYXINGDQUADTJP-INIZCTEOSA-N 2 1 298.471 2.378 20 0 CEADMP COC1(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)CCCCC1 ZINC000668785002 539272013 /nfs/dbraw/zinc/27/20/13/539272013.db2.gz KYXINGDQUADTJP-MRXNPFEDSA-N 2 1 298.471 2.378 20 0 CEADMP CC[C@@H](C)C[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350948495 219072228 /nfs/dbraw/zinc/07/22/28/219072228.db2.gz ILNIQIWDUBZGJP-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000311014997 539281629 /nfs/dbraw/zinc/28/16/29/539281629.db2.gz BATAFUGRYHVPPQ-ZIAGYGMSSA-N 3 1 255.450 2.035 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000311014997 539281631 /nfs/dbraw/zinc/28/16/31/539281631.db2.gz BATAFUGRYHVPPQ-ZIAGYGMSSA-N 3 1 255.450 2.035 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCCO1 ZINC000311244308 539282691 /nfs/dbraw/zinc/28/26/91/539282691.db2.gz ZKEHFACXTGQRMU-LUGNKYPNSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCCO1 ZINC000311244308 539282693 /nfs/dbraw/zinc/28/26/93/539282693.db2.gz ZKEHFACXTGQRMU-LUGNKYPNSA-N 2 1 252.402 2.159 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)cn1 ZINC000126329619 187233061 /nfs/dbraw/zinc/23/30/61/187233061.db2.gz OPYZCNYEJJMGML-SWLSCSKDSA-N 2 1 286.379 2.090 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1csc(Br)c1 ZINC000042360544 362088189 /nfs/dbraw/zinc/08/81/89/362088189.db2.gz DPDFDYKCRVDTNA-UHFFFAOYSA-N 2 1 263.204 2.291 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1csc(Br)c1 ZINC000042360544 362088196 /nfs/dbraw/zinc/08/81/96/362088196.db2.gz DPDFDYKCRVDTNA-UHFFFAOYSA-N 2 1 263.204 2.291 20 0 CEADMP Cc1cnccc1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000336614015 365721112 /nfs/dbraw/zinc/72/11/12/365721112.db2.gz IZGODRMIVOGPGS-UHFFFAOYSA-N 2 1 290.411 2.150 20 0 CEADMP CC[N@H+](CCCCn1cc[nH+]c1C)C[C@@H]1CCOC1 ZINC000678073160 539291203 /nfs/dbraw/zinc/29/12/03/539291203.db2.gz NKFOHIVTRASQKQ-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C[C@@H]1CCOC1 ZINC000678073160 539291204 /nfs/dbraw/zinc/29/12/04/539291204.db2.gz NKFOHIVTRASQKQ-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000322901815 539297656 /nfs/dbraw/zinc/29/76/56/539297656.db2.gz HKLGBOKQAFPFSR-OIYCOIKZSA-N 2 1 252.402 2.159 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2=CCCOC2)[C@H](C)C1 ZINC000127345344 365742454 /nfs/dbraw/zinc/74/24/54/365742454.db2.gz VKQHCENLRNUHAW-NVXWUHKLSA-N 2 1 296.455 2.060 20 0 CEADMP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000336657391 365751676 /nfs/dbraw/zinc/75/16/76/365751676.db2.gz RFIYACNRANJXPN-SFHVURJKSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H](C[NH3+])CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654604 365751989 /nfs/dbraw/zinc/75/19/89/365751989.db2.gz CLKDKOVUZPYWQP-BFYDXBDKSA-N 2 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654604 365751995 /nfs/dbraw/zinc/75/19/95/365751995.db2.gz CLKDKOVUZPYWQP-BFYDXBDKSA-N 3 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654604 365751999 /nfs/dbraw/zinc/75/19/99/365751999.db2.gz CLKDKOVUZPYWQP-BFYDXBDKSA-N 3 1 275.440 2.081 20 0 CEADMP C[N@@H+](Cc1ccsc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800504 539322528 /nfs/dbraw/zinc/32/25/28/539322528.db2.gz QHCNPCDXYFWPNP-HOTGVXAUSA-N 2 1 290.432 2.111 20 0 CEADMP C[N@H+](Cc1ccsc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800504 539322529 /nfs/dbraw/zinc/32/25/29/539322529.db2.gz QHCNPCDXYFWPNP-HOTGVXAUSA-N 2 1 290.432 2.111 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H](C)[C@@H]3CCOC3)CC2)[nH+]1 ZINC000128101690 365776486 /nfs/dbraw/zinc/77/64/86/365776486.db2.gz QTYUHGWLJIXJBB-HUUCEWRRSA-N 2 1 289.423 2.373 20 0 CEADMP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCOCC1 ZINC000336714164 365778131 /nfs/dbraw/zinc/77/81/31/365778131.db2.gz QITKZEXLWCVSLY-CQSZACIVSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)OCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336707828 365771651 /nfs/dbraw/zinc/77/16/51/365771651.db2.gz IZDCXQPUEKUAMY-HNNXBMFYSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)OCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336707828 365771653 /nfs/dbraw/zinc/77/16/53/365771653.db2.gz IZDCXQPUEKUAMY-HNNXBMFYSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)OCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336707828 365771658 /nfs/dbraw/zinc/77/16/58/365771658.db2.gz IZDCXQPUEKUAMY-HNNXBMFYSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@H](COC)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000128228408 365780200 /nfs/dbraw/zinc/78/02/00/365780200.db2.gz QEMDZYRKPXZKHV-CQSZACIVSA-N 2 1 277.412 2.373 20 0 CEADMP CCc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000449560422 282283409 /nfs/dbraw/zinc/28/34/09/282283409.db2.gz KWOVDXCTPLOZIW-MQVJKMGUSA-N 2 1 259.397 2.359 20 0 CEADMP CCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000449560422 282283417 /nfs/dbraw/zinc/28/34/17/282283417.db2.gz KWOVDXCTPLOZIW-MQVJKMGUSA-N 2 1 259.397 2.359 20 0 CEADMP COC[C@H](CC(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560647 282283457 /nfs/dbraw/zinc/28/34/57/282283457.db2.gz NZFYUELDGXXVST-WIGRTHMWSA-N 2 1 254.418 2.262 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351491323 219103594 /nfs/dbraw/zinc/10/35/94/219103594.db2.gz JNEJZQXYHLLPTD-HRCADAONSA-N 2 1 274.408 2.433 20 0 CEADMP CC[NH+](CC)CC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000063771140 343683702 /nfs/dbraw/zinc/68/37/02/343683702.db2.gz JICKGRKAKIOPJU-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)N2CCCCC2)C1 ZINC000076002259 343875703 /nfs/dbraw/zinc/87/57/03/343875703.db2.gz YKWCWOSARSZKDR-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOCC(C)C)C1 ZINC000336783860 365799171 /nfs/dbraw/zinc/79/91/71/365799171.db2.gz HGCMRWMXJSCPIP-OAHLLOKOSA-N 2 1 256.434 2.323 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOCC(C)C)C1 ZINC000336783860 365799174 /nfs/dbraw/zinc/79/91/74/365799174.db2.gz HGCMRWMXJSCPIP-OAHLLOKOSA-N 2 1 256.434 2.323 20 0 CEADMP CCC(CC)[C@@H](CNc1cc[nH+]c(N(C)C)n1)[NH+](C)C ZINC000077188560 343909444 /nfs/dbraw/zinc/90/94/44/343909444.db2.gz MECRTFJDGHWZHR-CYBMUJFWSA-N 2 1 279.432 2.321 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000127208017 187289125 /nfs/dbraw/zinc/28/91/25/187289125.db2.gz DGWLGNITMCYXMO-UHFFFAOYSA-N 2 1 294.424 2.272 20 0 CEADMP CC[C@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821668 344204407 /nfs/dbraw/zinc/20/44/07/344204407.db2.gz VOTXGXQMQGXHIB-KRWDZBQOSA-N 2 1 291.439 2.391 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000049554356 362371438 /nfs/dbraw/zinc/37/14/38/362371438.db2.gz CUHFNFHTVXUGLR-LBPRGKRZSA-N 2 1 252.406 2.068 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1ccc(F)c(Br)c1 ZINC000123273076 344309892 /nfs/dbraw/zinc/30/98/92/344309892.db2.gz LWWOMKSKAJVXFN-UHFFFAOYSA-N 2 1 275.165 2.369 20 0 CEADMP CO[C@@H]1CC[N@H+](CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000336784526 365801389 /nfs/dbraw/zinc/80/13/89/365801389.db2.gz QXECREKNTRFGPZ-TZMCWYRMSA-N 2 1 251.374 2.081 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000336784526 365801392 /nfs/dbraw/zinc/80/13/92/365801392.db2.gz QXECREKNTRFGPZ-TZMCWYRMSA-N 2 1 251.374 2.081 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000351597871 219140742 /nfs/dbraw/zinc/14/07/42/219140742.db2.gz UVAJKDACOOAQAL-ZWKOTPCHSA-N 2 1 288.435 2.052 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000351597871 219140743 /nfs/dbraw/zinc/14/07/43/219140743.db2.gz UVAJKDACOOAQAL-ZWKOTPCHSA-N 2 1 288.435 2.052 20 0 CEADMP C[C@@H](NCCF)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000212423107 344531844 /nfs/dbraw/zinc/53/18/44/344531844.db2.gz VIHKJXSQFMOHSZ-HIFRSBDPSA-N 2 1 250.361 2.456 20 0 CEADMP C[C@@H]([NH2+]CCF)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000212423107 344531846 /nfs/dbraw/zinc/53/18/46/344531846.db2.gz VIHKJXSQFMOHSZ-HIFRSBDPSA-N 2 1 250.361 2.456 20 0 CEADMP C[C@@H]([NH2+]CCF)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000212423107 344531847 /nfs/dbraw/zinc/53/18/47/344531847.db2.gz VIHKJXSQFMOHSZ-HIFRSBDPSA-N 2 1 250.361 2.456 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000228177999 344558678 /nfs/dbraw/zinc/55/86/78/344558678.db2.gz YXRUWPGVQQWTBN-CABCVRRESA-N 2 1 262.397 2.494 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000414839156 529999039 /nfs/dbraw/zinc/99/90/39/529999039.db2.gz LWQYBJAZFARJHU-LBPRGKRZSA-N 2 1 262.397 2.345 20 0 CEADMP Cc1ccc(OCCC[N@H+]2CC[C@H](C[NH3+])C2)cc1C ZINC000050246997 362412728 /nfs/dbraw/zinc/41/27/28/362412728.db2.gz VJGBONFNJBGPBS-OAHLLOKOSA-N 2 1 262.397 2.353 20 0 CEADMP C[C@H](CC(=O)NCC[N@H+]1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000262676422 344655820 /nfs/dbraw/zinc/65/58/20/344655820.db2.gz SCVFSPLDKXLPNZ-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248655545 344624211 /nfs/dbraw/zinc/62/42/11/344624211.db2.gz BSMOBIBYVIYPFZ-LVQVYYBASA-N 2 1 278.440 2.266 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C\c3ccccc3)C2)CC1 ZINC000255769650 344646476 /nfs/dbraw/zinc/64/64/76/344646476.db2.gz IHYXGBNPLGJRRB-WMHRWZGDSA-N 2 1 299.462 2.412 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)[C@H](C)C1 ZINC000273208931 192075668 /nfs/dbraw/zinc/07/56/68/192075668.db2.gz JZKUAQJRFLCLNT-NJAFHUGGSA-N 2 1 290.451 2.300 20 0 CEADMP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCOC)CC1 ZINC000449758619 282357275 /nfs/dbraw/zinc/35/72/75/282357275.db2.gz HBZQDKMJOGEHJD-HZPDHXFCSA-N 2 1 284.444 2.035 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)n1 ZINC000449778750 282364292 /nfs/dbraw/zinc/36/42/92/282364292.db2.gz CBOJLIRZTWNQOL-AWEZNQCLSA-N 2 1 291.439 2.485 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)n1 ZINC000449778750 282364294 /nfs/dbraw/zinc/36/42/94/282364294.db2.gz CBOJLIRZTWNQOL-AWEZNQCLSA-N 2 1 291.439 2.485 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCCC2(C)C)[C@@H](C)C1 ZINC000449780181 282364679 /nfs/dbraw/zinc/36/46/79/282364679.db2.gz FPCHLFFKAFSZOH-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@@H+]2CCCC2(C)C)[C@@H](C)C1 ZINC000449780181 282364680 /nfs/dbraw/zinc/36/46/80/282364680.db2.gz FPCHLFFKAFSZOH-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@H+]2CCCC2(C)C)[C@@H](C)C1 ZINC000449780181 282364683 /nfs/dbraw/zinc/36/46/83/282364683.db2.gz FPCHLFFKAFSZOH-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000305670773 201767048 /nfs/dbraw/zinc/76/70/48/201767048.db2.gz WWPNJSMXXXUEJN-ZDUSSCGKSA-N 2 1 262.397 2.314 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCc2cnn(C)c2)CC1 ZINC000590786287 345181233 /nfs/dbraw/zinc/18/12/33/345181233.db2.gz NEKVVLRKKZWUMB-UHFFFAOYSA-N 2 1 292.471 2.405 20 0 CEADMP C[C@H]([NH2+]Cc1cn[nH]c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679721302 539451477 /nfs/dbraw/zinc/45/14/77/539451477.db2.gz LQIHKPRXPYYCCO-JSGCOSHPSA-N 2 1 262.401 2.152 20 0 CEADMP C[C@H]([NH2+]Cc1cn[nH]c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679721302 539451483 /nfs/dbraw/zinc/45/14/83/539451483.db2.gz LQIHKPRXPYYCCO-JSGCOSHPSA-N 2 1 262.401 2.152 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000591578396 345266014 /nfs/dbraw/zinc/26/60/14/345266014.db2.gz YVQYVGNYJZADNR-JQWIXIFHSA-N 2 1 282.409 2.327 20 0 CEADMP COC(=O)c1ccc(Cl)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000592438435 345353349 /nfs/dbraw/zinc/35/33/49/345353349.db2.gz MHPNRRADOSGXLG-VHSXEESVSA-N 2 1 284.787 2.342 20 0 CEADMP Cc1ccc2cc(C[N@H+]3CC[C@H](C[NH3+])C3)ccc2n1 ZINC000097862611 232187798 /nfs/dbraw/zinc/18/77/98/232187798.db2.gz YQZVONMUGZBTOI-CQSZACIVSA-N 2 1 255.365 2.324 20 0 CEADMP CN(C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCC1 ZINC000097928300 232188793 /nfs/dbraw/zinc/18/87/93/232188793.db2.gz OCRIRHQAFPTQCT-HRCADAONSA-N 2 1 279.472 2.371 20 0 CEADMP COc1cc(C)c(C[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000623086392 349933463 /nfs/dbraw/zinc/93/34/63/349933463.db2.gz NPINBDDDAVUYTC-UHFFFAOYSA-N 2 1 289.379 2.078 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000568180999 299122246 /nfs/dbraw/zinc/12/22/46/299122246.db2.gz IHMOUHMGNRVWTB-ZBFHGGJFSA-N 2 1 277.412 2.244 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000568180999 299122248 /nfs/dbraw/zinc/12/22/48/299122248.db2.gz IHMOUHMGNRVWTB-ZBFHGGJFSA-N 2 1 277.412 2.244 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000595720412 345859807 /nfs/dbraw/zinc/85/98/07/345859807.db2.gz MQGNVYOKWJFDJO-UHFFFAOYSA-N 2 1 277.412 2.327 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cs1 ZINC000595896200 345909429 /nfs/dbraw/zinc/90/94/29/345909429.db2.gz IWVCIQOAYLMSCF-WCQYABFASA-N 2 1 296.436 2.484 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cs1 ZINC000595896200 345909432 /nfs/dbraw/zinc/90/94/32/345909432.db2.gz IWVCIQOAYLMSCF-WCQYABFASA-N 2 1 296.436 2.484 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cn[nH]c1 ZINC000336786299 365806468 /nfs/dbraw/zinc/80/64/68/365806468.db2.gz HLNLWUNVLCIBNO-OLZOCXBDSA-N 2 1 250.390 2.325 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cn[nH]c1 ZINC000336786299 365806474 /nfs/dbraw/zinc/80/64/74/365806474.db2.gz HLNLWUNVLCIBNO-OLZOCXBDSA-N 2 1 250.390 2.325 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000680342355 539526395 /nfs/dbraw/zinc/52/63/95/539526395.db2.gz QEQPYKVLPXRUFZ-GOEBONIOSA-N 2 1 284.444 2.033 20 0 CEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC000062038277 362703596 /nfs/dbraw/zinc/70/35/96/362703596.db2.gz UOOLUSGQZNNZGN-LBPRGKRZSA-N 2 1 250.361 2.441 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598981440 346441351 /nfs/dbraw/zinc/44/13/51/346441351.db2.gz PTKWKPSQLJRLML-QWHCGFSZSA-N 2 1 284.444 2.427 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)[C@@H]1C ZINC000598994325 346443218 /nfs/dbraw/zinc/44/32/18/346443218.db2.gz KBCBHNGVYWQKDK-UGUYLWEFSA-N 2 1 296.455 2.286 20 0 CEADMP CCOC(=O)C1CCC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000599069758 346455881 /nfs/dbraw/zinc/45/58/81/346455881.db2.gz ITFYDUOSLJCHEM-FHERZECASA-N 2 1 296.455 2.430 20 0 CEADMP COCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCC1 ZINC000336794674 365816685 /nfs/dbraw/zinc/81/66/85/365816685.db2.gz DVFTZWMKOXEVKJ-BFHYXJOUSA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC(=O)OC)C[C@@H]1C ZINC000599312613 346497275 /nfs/dbraw/zinc/49/72/75/346497275.db2.gz ANFADICFKSWVHE-UONOGXRCSA-N 2 1 270.417 2.134 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC(=O)OC)C[C@@H]1C ZINC000599312613 346497277 /nfs/dbraw/zinc/49/72/77/346497277.db2.gz ANFADICFKSWVHE-UONOGXRCSA-N 2 1 270.417 2.134 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC(=O)OC)C[C@@H]1C ZINC000599312613 346497279 /nfs/dbraw/zinc/49/72/79/346497279.db2.gz ANFADICFKSWVHE-UONOGXRCSA-N 2 1 270.417 2.134 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000336801428 365832444 /nfs/dbraw/zinc/83/24/44/365832444.db2.gz QBGAPHMRLICEPD-PMPSAXMXSA-N 2 1 267.461 2.133 20 0 CEADMP CC[NH+]1CC[C@H](N(C)CC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000336801428 365832450 /nfs/dbraw/zinc/83/24/50/365832450.db2.gz QBGAPHMRLICEPD-PMPSAXMXSA-N 2 1 267.461 2.133 20 0 CEADMP CC[NH+]1CC[C@H](N(C)CC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000336801428 365832455 /nfs/dbraw/zinc/83/24/55/365832455.db2.gz QBGAPHMRLICEPD-PMPSAXMXSA-N 2 1 267.461 2.133 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCO1 ZINC000459442980 290150791 /nfs/dbraw/zinc/15/07/91/290150791.db2.gz ATURNEFITZMEJY-LSDHHAIUSA-N 2 1 252.402 2.160 20 0 CEADMP COc1ccc(OCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000128446411 187371025 /nfs/dbraw/zinc/37/10/25/187371025.db2.gz FFDLKVRTLAOMMY-MRXNPFEDSA-N 2 1 280.412 2.379 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000602721739 347170504 /nfs/dbraw/zinc/17/05/04/347170504.db2.gz KHHIYHGJUVTSFV-ORIJERBGSA-N 2 1 282.428 2.181 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602721739 347170506 /nfs/dbraw/zinc/17/05/06/347170506.db2.gz KHHIYHGJUVTSFV-ORIJERBGSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)[C@H](C1CC1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109691 347288966 /nfs/dbraw/zinc/28/89/66/347288966.db2.gz DTVASCNREKKTJN-HNNXBMFYSA-N 2 1 282.428 2.136 20 0 CEADMP COCCC1CC[NH+]([C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000527935707 313217079 /nfs/dbraw/zinc/21/70/79/313217079.db2.gz PBKQTOVMFNDZEW-HOTGVXAUSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000606353797 347466226 /nfs/dbraw/zinc/46/62/26/347466226.db2.gz RFPVZLWVGGSGMK-OAHLLOKOSA-N 2 1 284.363 2.295 20 0 CEADMP CN1CCCC[C@@H]1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000606353797 347466230 /nfs/dbraw/zinc/46/62/30/347466230.db2.gz RFPVZLWVGGSGMK-OAHLLOKOSA-N 2 1 284.363 2.295 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000351847705 219225484 /nfs/dbraw/zinc/22/54/84/219225484.db2.gz AVMJEHMVWNSNGN-KGLIPLIRSA-N 2 1 254.418 2.395 20 0 CEADMP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336853241 365928248 /nfs/dbraw/zinc/92/82/48/365928248.db2.gz FYAXTBAZAXRFIT-JKSUJKDBSA-N 2 1 297.406 2.188 20 0 CEADMP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336853241 365928252 /nfs/dbraw/zinc/92/82/52/365928252.db2.gz FYAXTBAZAXRFIT-JKSUJKDBSA-N 2 1 297.406 2.188 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCc1ccc2c(c1)CCO2 ZINC000339410311 215154481 /nfs/dbraw/zinc/15/44/81/215154481.db2.gz QWNAZGYHVJGBKZ-INIZCTEOSA-N 2 1 274.408 2.238 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCc1ccc2c(c1)CCO2 ZINC000339410311 215154484 /nfs/dbraw/zinc/15/44/84/215154484.db2.gz QWNAZGYHVJGBKZ-INIZCTEOSA-N 2 1 274.408 2.238 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)CC3CCCC3)C2)C1 ZINC000339441872 215175668 /nfs/dbraw/zinc/17/56/68/215175668.db2.gz RYELPARXKLLVOK-DLBZAZTESA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)CC3CCCC3)C2)C1 ZINC000339441872 215175673 /nfs/dbraw/zinc/17/56/73/215175673.db2.gz RYELPARXKLLVOK-DLBZAZTESA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)CC3CCCC3)C2)C1 ZINC000339441872 215175676 /nfs/dbraw/zinc/17/56/76/215175676.db2.gz RYELPARXKLLVOK-DLBZAZTESA-N 2 1 280.456 2.345 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000615605786 348359814 /nfs/dbraw/zinc/35/98/14/348359814.db2.gz JAWZXLIGZLHMPM-RHSMWYFYSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617000361 348604440 /nfs/dbraw/zinc/60/44/40/348604440.db2.gz YRCWFNAXHBRVLG-KBPBESRZSA-N 2 1 297.487 2.390 20 0 CEADMP O=C(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Nc1ccccc1 ZINC000339076638 539658072 /nfs/dbraw/zinc/65/80/72/539658072.db2.gz WEAHTSSTWBMRAS-CVEARBPZSA-N 2 1 287.407 2.232 20 0 CEADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339065642 539659072 /nfs/dbraw/zinc/65/90/72/539659072.db2.gz CDEUEHYYUNDXMS-CQDKDKBSSA-N 2 1 277.412 2.439 20 0 CEADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339065643 539659145 /nfs/dbraw/zinc/65/91/45/539659145.db2.gz CDEUEHYYUNDXMS-GLQYFDAESA-N 2 1 277.412 2.439 20 0 CEADMP Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cs1 ZINC000617508015 348717968 /nfs/dbraw/zinc/71/79/68/348717968.db2.gz RQUVPAAVMZXDNT-LBPRGKRZSA-N 2 1 297.468 2.058 20 0 CEADMP Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cs1 ZINC000617508015 348717970 /nfs/dbraw/zinc/71/79/70/348717970.db2.gz RQUVPAAVMZXDNT-LBPRGKRZSA-N 2 1 297.468 2.058 20 0 CEADMP CC(C)[C@@]1(C)C[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507067 348718942 /nfs/dbraw/zinc/71/89/42/348718942.db2.gz GZRGWMNQUYMPOW-ZMSDIMECSA-N 2 1 297.487 2.057 20 0 CEADMP CC(C)[C@@]1(C)C[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507067 348718943 /nfs/dbraw/zinc/71/89/43/348718943.db2.gz GZRGWMNQUYMPOW-ZMSDIMECSA-N 2 1 297.487 2.057 20 0 CEADMP CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000617552957 348728414 /nfs/dbraw/zinc/72/84/14/348728414.db2.gz YLARVUXLOFPKSH-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000339226740 539662075 /nfs/dbraw/zinc/66/20/75/539662075.db2.gz FFOLVLYNNTUKFR-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCNC(=O)CC[NH+]2CCCC[C@@H]2C)C1 ZINC000339261602 539678797 /nfs/dbraw/zinc/67/87/97/539678797.db2.gz JVIJUQYYLNDTCV-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCC[NH+](CCNC(=O)CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000339261602 539678800 /nfs/dbraw/zinc/67/88/00/539678800.db2.gz JVIJUQYYLNDTCV-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCC[NH+](CCNC(=O)CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000339261602 539678804 /nfs/dbraw/zinc/67/88/04/539678804.db2.gz JVIJUQYYLNDTCV-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)CC[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192723914 539704457 /nfs/dbraw/zinc/70/44/57/539704457.db2.gz NEKLJKHUJSCGML-UHFFFAOYSA-N 2 1 269.477 2.380 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000619509187 349190398 /nfs/dbraw/zinc/19/03/98/349190398.db2.gz YLXJMIIFLPIUMS-SWLSCSKDSA-N 2 1 276.380 2.046 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000619509187 349190403 /nfs/dbraw/zinc/19/04/03/349190403.db2.gz YLXJMIIFLPIUMS-SWLSCSKDSA-N 2 1 276.380 2.046 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000340517252 539728377 /nfs/dbraw/zinc/72/83/77/539728377.db2.gz DUVVHLBUAHPEFT-BYNSBNAKSA-N 2 1 266.429 2.264 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccccc2)CC1(C)C ZINC000623440714 350020848 /nfs/dbraw/zinc/02/08/48/350020848.db2.gz HPPINFPYTUYPIW-HOTGVXAUSA-N 2 1 276.424 2.225 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CO)CCCCC2)CC1(C)C ZINC000623442271 350021831 /nfs/dbraw/zinc/02/18/31/350021831.db2.gz HMKGOJQDFGUCQU-CQSZACIVSA-N 2 1 268.445 2.392 20 0 CEADMP CCOc1cccc(CNC[C@@H]2CCCC[N@@H+](C)C2)n1 ZINC000623656129 350076017 /nfs/dbraw/zinc/07/60/17/350076017.db2.gz NUQUYUMCGKOMKV-AWEZNQCLSA-N 2 1 277.412 2.302 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657024 350076150 /nfs/dbraw/zinc/07/61/50/350076150.db2.gz IAPHRKPGIUMTTC-OAHLLOKOSA-N 2 1 289.423 2.467 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657024 350076152 /nfs/dbraw/zinc/07/61/52/350076152.db2.gz IAPHRKPGIUMTTC-OAHLLOKOSA-N 2 1 289.423 2.467 20 0 CEADMP Cc1ccc2ncc(CNC[C@@H]3CCCC[N@H+](C)C3)n2c1 ZINC000623656091 350076405 /nfs/dbraw/zinc/07/64/05/350076405.db2.gz MSGPNMNDGBKNHT-HNNXBMFYSA-N 2 1 286.423 2.464 20 0 CEADMP Cc1ccc2ncc(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)n2c1 ZINC000623656091 350076408 /nfs/dbraw/zinc/07/64/08/350076408.db2.gz MSGPNMNDGBKNHT-HNNXBMFYSA-N 2 1 286.423 2.464 20 0 CEADMP Cc1ccc2ncc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)n2c1 ZINC000623656091 350076410 /nfs/dbraw/zinc/07/64/10/350076410.db2.gz MSGPNMNDGBKNHT-HNNXBMFYSA-N 2 1 286.423 2.464 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000623657423 350077293 /nfs/dbraw/zinc/07/72/93/350077293.db2.gz QKMKCOOWCUITBJ-BARDWOONSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CCO1 ZINC000623657629 350077360 /nfs/dbraw/zinc/07/73/60/350077360.db2.gz VRXIVHLSXOMMGE-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000623657718 350077389 /nfs/dbraw/zinc/07/73/89/350077389.db2.gz XKOYTCOUWJGGSC-AWEZNQCLSA-N 2 1 277.412 2.302 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000623657718 350077391 /nfs/dbraw/zinc/07/73/91/350077391.db2.gz XKOYTCOUWJGGSC-AWEZNQCLSA-N 2 1 277.412 2.302 20 0 CEADMP CCC[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)OCC ZINC000623598904 350061126 /nfs/dbraw/zinc/06/11/26/350061126.db2.gz QXLLAJOXSOIUKT-AWEZNQCLSA-N 2 1 265.401 2.442 20 0 CEADMP C[C@H](CNc1nc2ccccc2n2cncc12)[N@@H+](C)C1CC1 ZINC000623934502 350148230 /nfs/dbraw/zinc/14/82/30/350148230.db2.gz WMCBLABQJOFHDB-GFCCVEGCSA-N 2 1 295.390 2.199 20 0 CEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000235138515 539757500 /nfs/dbraw/zinc/75/75/00/539757500.db2.gz UHPCDLQHDLEZOS-SWLSCSKDSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCCO1 ZINC000623999210 350166299 /nfs/dbraw/zinc/16/62/99/350166299.db2.gz NPMZZFKYVOSPMY-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[NH+]1CCC(NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624119807 350198751 /nfs/dbraw/zinc/19/87/51/350198751.db2.gz KCQMNWGTOAJLKW-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000624119807 350198753 /nfs/dbraw/zinc/19/87/53/350198753.db2.gz KCQMNWGTOAJLKW-HNNXBMFYSA-N 3 1 267.461 2.182 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624119807 350198757 /nfs/dbraw/zinc/19/87/57/350198757.db2.gz KCQMNWGTOAJLKW-HNNXBMFYSA-N 3 1 267.461 2.182 20 0 CEADMP COC1CCC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624121984 350199568 /nfs/dbraw/zinc/19/95/68/350199568.db2.gz HGSSILSDJBECND-NFOMZHRRSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624123084 350200815 /nfs/dbraw/zinc/20/08/15/350200815.db2.gz FQGNEPDQDFZZIU-OCCSQVGLSA-N 2 1 262.401 2.168 20 0 CEADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123084 350200818 /nfs/dbraw/zinc/20/08/18/350200818.db2.gz FQGNEPDQDFZZIU-OCCSQVGLSA-N 2 1 262.401 2.168 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCCC[C@@H]1CCO ZINC000342057339 539794581 /nfs/dbraw/zinc/79/45/81/539794581.db2.gz ISKASXHMDLYILH-OAHLLOKOSA-N 2 1 256.434 2.345 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccnc2)CC1 ZINC000105876440 186081799 /nfs/dbraw/zinc/08/17/99/186081799.db2.gz KJUTXLBAPHTGRG-UHFFFAOYSA-N 2 1 270.380 2.270 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCCOC1 ZINC000352185184 219348668 /nfs/dbraw/zinc/34/86/68/219348668.db2.gz AHXFKFVCGDSMHK-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCCOC1 ZINC000352185184 219348670 /nfs/dbraw/zinc/34/86/70/219348670.db2.gz AHXFKFVCGDSMHK-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP COc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868791 186144546 /nfs/dbraw/zinc/14/45/46/186144546.db2.gz HBHPHQQKQIXVRF-HUUCEWRRSA-N 2 1 260.381 2.412 20 0 CEADMP COc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868791 186144547 /nfs/dbraw/zinc/14/45/47/186144547.db2.gz HBHPHQQKQIXVRF-HUUCEWRRSA-N 2 1 260.381 2.412 20 0 CEADMP CC(C)[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000092392561 180376351 /nfs/dbraw/zinc/37/63/51/180376351.db2.gz ATIWHEPRUGVAJO-QGZVFWFLSA-N 2 1 276.424 2.258 20 0 CEADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062890 350645721 /nfs/dbraw/zinc/64/57/21/350645721.db2.gz KNAWQDKREZMMGC-UHFFFAOYSA-N 2 1 286.423 2.467 20 0 CEADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](COC)OC ZINC000626063372 350645956 /nfs/dbraw/zinc/64/59/56/350645956.db2.gz BHRPFPVRSRHFGG-KRWDZBQOSA-N 2 1 294.439 2.232 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000568992145 299173301 /nfs/dbraw/zinc/17/33/01/299173301.db2.gz XFEKOXIOOKTYDC-POGJWJPPSA-N 2 1 288.435 2.366 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@]2(C)CCCS2)CCO1 ZINC000628352686 351076508 /nfs/dbraw/zinc/07/65/08/351076508.db2.gz QKXAGMAQFDELPP-CABCVRRESA-N 2 1 286.485 2.315 20 0 CEADMP c1cn(CCC[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cn1 ZINC000518179294 260350532 /nfs/dbraw/zinc/35/05/32/260350532.db2.gz TXSBKTSLVJYXEU-CABCVRRESA-N 2 1 263.385 2.164 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000628965432 351229085 /nfs/dbraw/zinc/22/90/85/351229085.db2.gz SLAFVPMIOJHEQT-HIFRSBDPSA-N 2 1 295.471 2.286 20 0 CEADMP CCO[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000629516451 351385218 /nfs/dbraw/zinc/38/52/18/351385218.db2.gz GEYBJKDNMBEYPB-IZGVIRRGSA-N 2 1 252.402 2.016 20 0 CEADMP [NH3+]C1(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CCOCC1 ZINC000629521342 351387302 /nfs/dbraw/zinc/38/73/02/351387302.db2.gz MXRCSNJGTZBJCN-CYBMUJFWSA-N 2 1 296.411 2.460 20 0 CEADMP [NH3+]C1(C[NH2+][C@H]2CSCCc3ccccc32)CCOCC1 ZINC000629525060 351389737 /nfs/dbraw/zinc/38/97/37/351389737.db2.gz QYLSHNDBWRPMKY-HNNXBMFYSA-N 2 1 292.448 2.115 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cc(CO)ccc2F)[C@@H]1CC[NH3+] ZINC000629535668 351398221 /nfs/dbraw/zinc/39/82/21/351398221.db2.gz FLFHIQMENYQFTK-MLGOLLRUSA-N 2 1 280.387 2.267 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C[C@@H]1OC ZINC000629534730 351398428 /nfs/dbraw/zinc/39/84/28/351398428.db2.gz AVKXBZJJPCUOPI-DGAVXFQQSA-N 2 1 254.418 2.310 20 0 CEADMP COc1c(C)cnc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1C ZINC000070074150 363027412 /nfs/dbraw/zinc/02/74/12/363027412.db2.gz GWJKBQAGSLGZCD-AWEZNQCLSA-N 2 1 277.412 2.268 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000629652638 351449299 /nfs/dbraw/zinc/44/92/99/351449299.db2.gz AVMAZNFVZJUOKT-UHFFFAOYSA-N 2 1 262.397 2.232 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629654480 351452635 /nfs/dbraw/zinc/45/26/35/351452635.db2.gz PWBLPYUFKFIYLX-MRXNPFEDSA-N 2 1 258.365 2.133 20 0 CEADMP COc1cccc2c1C[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000629664154 351457113 /nfs/dbraw/zinc/45/71/13/351457113.db2.gz JGDQRJIVOAYXFI-QWHCGFSZSA-N 2 1 260.381 2.399 20 0 CEADMP C[C@@H](C[N@@H+](C)CCOCC[NH3+])c1cccc(Cl)c1 ZINC000629667821 351458645 /nfs/dbraw/zinc/45/86/45/351458645.db2.gz XEVFQSUXZXUSFJ-LBPRGKRZSA-N 2 1 270.804 2.351 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1O ZINC000629672647 351460181 /nfs/dbraw/zinc/46/01/81/351460181.db2.gz XIFLRUJTBPBYIU-MBNYWOFBSA-N 2 1 278.396 2.062 20 0 CEADMP Cc1cnccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000629549152 351408961 /nfs/dbraw/zinc/40/89/61/351408961.db2.gz QTDJLBFCANPJPJ-BBWFWOEESA-N 2 1 289.423 2.251 20 0 CEADMP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000629551363 351410161 /nfs/dbraw/zinc/41/01/61/351410161.db2.gz UFEIMRCQHDQCKH-FKJOKYEKSA-N 2 1 256.340 2.248 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000629568328 351417632 /nfs/dbraw/zinc/41/76/32/351417632.db2.gz TVMOTLJYLWNQQG-UHFFFAOYSA-N 2 1 290.329 2.373 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(C(C)C)ccc1OC ZINC000629570631 351418507 /nfs/dbraw/zinc/41/85/07/351418507.db2.gz ACGJJPDPTAMYRX-UHFFFAOYSA-N 2 1 294.439 2.486 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCOc1ccccc1F ZINC000070150096 363038444 /nfs/dbraw/zinc/03/84/44/363038444.db2.gz XARQMJDUIOTQDH-ZDUSSCGKSA-N 2 1 266.360 2.408 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149750 363038500 /nfs/dbraw/zinc/03/85/00/363038500.db2.gz MDJXNVVWPMDKOF-LBPRGKRZSA-N 2 1 253.415 2.197 20 0 CEADMP CCN(C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000070170482 363043609 /nfs/dbraw/zinc/04/36/09/363043609.db2.gz XXWXLIIKHKLBAC-HNNXBMFYSA-N 2 1 289.423 2.100 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000070174062 363047232 /nfs/dbraw/zinc/04/72/32/363047232.db2.gz DRCPFEIFUFDXJB-IUODEOHRSA-N 2 1 276.380 2.032 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000070317012 363072176 /nfs/dbraw/zinc/07/21/76/363072176.db2.gz JDMJLPSBOZQQQT-CQSZACIVSA-N 2 1 283.460 2.084 20 0 CEADMP [NH3+]CCC1CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000070188188 363051152 /nfs/dbraw/zinc/05/11/52/363051152.db2.gz BGNHPFCKGPALSL-UHFFFAOYSA-N 2 1 295.814 2.339 20 0 CEADMP C[C@H]1CCC[C@](CNC(=O)C[N@@H+](C)C2CCC2)([NH+](C)C)C1 ZINC000629951677 351550702 /nfs/dbraw/zinc/55/07/02/351550702.db2.gz YLEMPZPZYPWEQH-YOEHRIQHSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+](Cc1c[nH]c2nccnc12)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000291460927 198027461 /nfs/dbraw/zinc/02/74/61/198027461.db2.gz DDTKTWPVKXFDSA-PBWFPOADSA-N 2 1 285.395 2.015 20 0 CEADMP C[N@@H+](Cc1c[nH]c2nccnc12)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000291460927 198027463 /nfs/dbraw/zinc/02/74/63/198027463.db2.gz DDTKTWPVKXFDSA-PBWFPOADSA-N 2 1 285.395 2.015 20 0 CEADMP C[NH+](Cc1c[nH]c2nccnc12)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000291460927 198027464 /nfs/dbraw/zinc/02/74/64/198027464.db2.gz DDTKTWPVKXFDSA-PBWFPOADSA-N 2 1 285.395 2.015 20 0 CEADMP C[NH+](Cc1c[nH]c2nccnc12)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000291460927 198027466 /nfs/dbraw/zinc/02/74/66/198027466.db2.gz DDTKTWPVKXFDSA-PBWFPOADSA-N 2 1 285.395 2.015 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccnn1C(C)C ZINC000337173074 366052035 /nfs/dbraw/zinc/05/20/35/366052035.db2.gz FZQZFXGUTUTSNE-UHFFFAOYSA-N 2 1 275.400 2.491 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccnn1C(C)C ZINC000337173074 366052042 /nfs/dbraw/zinc/05/20/42/366052042.db2.gz FZQZFXGUTUTSNE-UHFFFAOYSA-N 2 1 275.400 2.491 20 0 CEADMP COCc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122021908 187010961 /nfs/dbraw/zinc/01/09/61/187010961.db2.gz POYSJPZVWHCYNU-CJNGLKHVSA-N 2 1 262.397 2.405 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000122032252 187011600 /nfs/dbraw/zinc/01/16/00/187011600.db2.gz VSPODWAWDYZXHN-INIZCTEOSA-N 2 1 279.472 2.206 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CC(C)C)c1 ZINC000236875908 539825056 /nfs/dbraw/zinc/82/50/56/539825056.db2.gz QWZFYLYDOIYHKY-MRXNPFEDSA-N 2 1 291.439 2.128 20 0 CEADMP COc1ccccc1OCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123356885 187086683 /nfs/dbraw/zinc/08/66/83/187086683.db2.gz ADCARAVNCYKCTM-LSDHHAIUSA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123356885 187086684 /nfs/dbraw/zinc/08/66/84/187086684.db2.gz ADCARAVNCYKCTM-LSDHHAIUSA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccccc1OCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123356885 187086685 /nfs/dbraw/zinc/08/66/85/187086685.db2.gz ADCARAVNCYKCTM-LSDHHAIUSA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccccc1OCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123356885 187086686 /nfs/dbraw/zinc/08/66/86/187086686.db2.gz ADCARAVNCYKCTM-LSDHHAIUSA-N 2 1 292.423 2.489 20 0 CEADMP CCc1nnc(C[NH+]2CCC(CCC[NH+](C)C)CC2)o1 ZINC000123391831 187088668 /nfs/dbraw/zinc/08/86/68/187088668.db2.gz JHPDQBSVORRERK-UHFFFAOYSA-N 2 1 280.416 2.186 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000631069877 351947723 /nfs/dbraw/zinc/94/77/23/351947723.db2.gz ZXJJJKFNKITMEG-OAHLLOKOSA-N 2 1 275.396 2.076 20 0 CEADMP CC(C)n1ncnc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000631043627 351936096 /nfs/dbraw/zinc/93/60/96/351936096.db2.gz ZFICHABHGXHOCC-HNNXBMFYSA-N 2 1 293.459 2.461 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccncc2C)[C@@H](C)C1 ZINC000271468995 191155898 /nfs/dbraw/zinc/15/58/98/191155898.db2.gz HCQLECBCZNYHJX-GOEBONIOSA-N 2 1 261.413 2.252 20 0 CEADMP CCNC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072966053 363184311 /nfs/dbraw/zinc/18/43/11/363184311.db2.gz QUDZBEKDTKBEPZ-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCNC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072966053 363184318 /nfs/dbraw/zinc/18/43/18/363184318.db2.gz QUDZBEKDTKBEPZ-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCNC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072966053 363184324 /nfs/dbraw/zinc/18/43/24/363184324.db2.gz QUDZBEKDTKBEPZ-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+](CCOc1ccccc1OC)CC1CC[NH2+]CC1 ZINC000094025047 539864969 /nfs/dbraw/zinc/86/49/69/539864969.db2.gz WCRAJKQEHUQCDU-UHFFFAOYSA-N 2 1 292.423 2.396 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000487274367 290339266 /nfs/dbraw/zinc/33/92/66/290339266.db2.gz GSKDWVHSGQNQQF-AWEZNQCLSA-N 2 1 286.485 2.219 20 0 CEADMP COc1cccc(OCC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292111923 198167551 /nfs/dbraw/zinc/16/75/51/198167551.db2.gz JCWJPHOSHHJEQG-QGZVFWFLSA-N 2 1 290.407 2.102 20 0 CEADMP COc1cccc(OCC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292111923 198167552 /nfs/dbraw/zinc/16/75/52/198167552.db2.gz JCWJPHOSHHJEQG-QGZVFWFLSA-N 2 1 290.407 2.102 20 0 CEADMP COc1cccc(OCC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292111923 198167554 /nfs/dbraw/zinc/16/75/54/198167554.db2.gz JCWJPHOSHHJEQG-QGZVFWFLSA-N 2 1 290.407 2.102 20 0 CEADMP COc1cccc(OCC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292111923 198167556 /nfs/dbraw/zinc/16/75/56/198167556.db2.gz JCWJPHOSHHJEQG-QGZVFWFLSA-N 2 1 290.407 2.102 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCN2CCc3ccccc32)CC[N@@H+]1C ZINC000292342172 198252381 /nfs/dbraw/zinc/25/23/81/198252381.db2.gz CZTJWKOSWHRZOS-NVXWUHKLSA-N 2 1 287.451 2.464 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCN2CCc3ccccc32)CC[N@H+]1C ZINC000292342172 198252383 /nfs/dbraw/zinc/25/23/83/198252383.db2.gz CZTJWKOSWHRZOS-NVXWUHKLSA-N 2 1 287.451 2.464 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCN2CCc3ccccc32)CC[NH+]1C ZINC000292342172 198252384 /nfs/dbraw/zinc/25/23/84/198252384.db2.gz CZTJWKOSWHRZOS-NVXWUHKLSA-N 2 1 287.451 2.464 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCN2CCc3ccccc32)CC[NH+]1C ZINC000292342172 198252386 /nfs/dbraw/zinc/25/23/86/198252386.db2.gz CZTJWKOSWHRZOS-NVXWUHKLSA-N 2 1 287.451 2.464 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@@H](C)[C@H]2C[NH3+])c1C ZINC000250879482 539970163 /nfs/dbraw/zinc/97/01/63/539970163.db2.gz SXWFRJNUSVQRNE-IAQYHMDHSA-N 2 1 277.412 2.266 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@@H+]([C@H]2CCCc3ccccc32)CCO1 ZINC000251651861 539983791 /nfs/dbraw/zinc/98/37/91/539983791.db2.gz SVIKJPHPSFBDAH-VBNZEHGJSA-N 2 1 260.381 2.112 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@H+]([C@H]2CCCc3ccccc32)CCO1 ZINC000251651861 539983792 /nfs/dbraw/zinc/98/37/92/539983792.db2.gz SVIKJPHPSFBDAH-VBNZEHGJSA-N 2 1 260.381 2.112 20 0 CEADMP Oc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000156058149 188240565 /nfs/dbraw/zinc/24/05/65/188240565.db2.gz DOPDTAFOXIATRT-HUUCEWRRSA-N 2 1 260.381 2.151 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc3c(c2)CCO3)CC[N@H+]1C ZINC000156337511 188256360 /nfs/dbraw/zinc/25/63/60/188256360.db2.gz KCZANOJMNUUHKL-CZUORRHYSA-N 2 1 274.408 2.236 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CCn1cccn1 ZINC000158820357 188395190 /nfs/dbraw/zinc/39/51/90/188395190.db2.gz YEQHEZQXPVDMHN-UONOGXRCSA-N 2 1 275.400 2.093 20 0 CEADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000494464725 540007976 /nfs/dbraw/zinc/00/79/76/540007976.db2.gz SCMFAVILFIBSEB-BYNSBNAKSA-N 2 1 252.402 2.160 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]CC2(CO)CCCC2)c2ccccc21 ZINC000132209137 366126644 /nfs/dbraw/zinc/12/66/44/366126644.db2.gz XYYAHSHWUDZGNZ-CABCVRRESA-N 2 1 260.381 2.274 20 0 CEADMP CC[C@H](O)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000132779476 366171133 /nfs/dbraw/zinc/17/11/33/366171133.db2.gz UWQIYWCQKXDMSH-SFHVURJKSA-N 2 1 290.451 2.444 20 0 CEADMP CCOC(=O)CCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000132930609 366181989 /nfs/dbraw/zinc/18/19/89/366181989.db2.gz DROSIZHWYZONOB-UHFFFAOYSA-N 2 1 282.428 2.280 20 0 CEADMP C[N@H+](Cc1cncc(Br)c1)CC(C)(C)C[NH3+] ZINC000133494375 366229841 /nfs/dbraw/zinc/22/98/41/366229841.db2.gz YODVRBRBGXMOLM-UHFFFAOYSA-N 2 1 286.217 2.261 20 0 CEADMP C[N@@H+](Cc1cncc(Br)c1)CC(C)(C)C[NH3+] ZINC000133494375 366229843 /nfs/dbraw/zinc/22/98/43/366229843.db2.gz YODVRBRBGXMOLM-UHFFFAOYSA-N 2 1 286.217 2.261 20 0 CEADMP CC(C)[NH+](CCCNc1cc[nH+]c(N(C)C)n1)C(C)C ZINC000074773052 363388058 /nfs/dbraw/zinc/38/80/58/363388058.db2.gz AFWBAQMYRVZOED-UHFFFAOYSA-N 2 1 279.432 2.463 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCc2ccccc2[C@@H](C)C1 ZINC000404733034 540126929 /nfs/dbraw/zinc/12/69/29/540126929.db2.gz JULAFZLYQWUYDQ-RDJZCZTQSA-N 2 1 290.451 2.349 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000404733034 540126932 /nfs/dbraw/zinc/12/69/32/540126932.db2.gz JULAFZLYQWUYDQ-RDJZCZTQSA-N 2 1 290.451 2.349 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000404733034 540126934 /nfs/dbraw/zinc/12/69/34/540126934.db2.gz JULAFZLYQWUYDQ-RDJZCZTQSA-N 2 1 290.451 2.349 20 0 CEADMP Cc1cc2ncc([C@@H](C)[NH2+]CC3=CC[N@@H+](C)CC3)c(C)n2n1 ZINC000271889389 191390959 /nfs/dbraw/zinc/39/09/59/191390959.db2.gz RROWZAWIEMFDQR-CYBMUJFWSA-N 2 1 299.422 2.259 20 0 CEADMP CN(C)C(=O)OC[C@@H]1CCCCN1CC[C@H]1CCC[N@H+]1C ZINC000495689618 291065623 /nfs/dbraw/zinc/06/56/23/291065623.db2.gz UPUMLVFMWLAEHF-CABCVRRESA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000495689618 291065626 /nfs/dbraw/zinc/06/56/26/291065626.db2.gz UPUMLVFMWLAEHF-CABCVRRESA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000495689618 291065629 /nfs/dbraw/zinc/06/56/29/291065629.db2.gz UPUMLVFMWLAEHF-CABCVRRESA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)OC[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000495689618 291065631 /nfs/dbraw/zinc/06/56/31/291065631.db2.gz UPUMLVFMWLAEHF-CABCVRRESA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)OC[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000495689618 291065634 /nfs/dbraw/zinc/06/56/34/291065634.db2.gz UPUMLVFMWLAEHF-CABCVRRESA-N 2 1 297.443 2.023 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309813641 540160702 /nfs/dbraw/zinc/16/07/02/540160702.db2.gz XGEMFXOCRKUZJP-MJBXVCDLSA-N 2 1 299.459 2.220 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451789658 283106372 /nfs/dbraw/zinc/10/63/72/283106372.db2.gz MPSHXRCHRZUMDO-CQSZACIVSA-N 2 1 267.417 2.311 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451789658 283106378 /nfs/dbraw/zinc/10/63/78/283106378.db2.gz MPSHXRCHRZUMDO-CQSZACIVSA-N 2 1 267.417 2.311 20 0 CEADMP CO[C@H]1C[C@H]([N@H+](C)CCCn2cc[nH+]c2C)C12CCC2 ZINC000451854706 283126121 /nfs/dbraw/zinc/12/61/21/283126121.db2.gz QZCGZJROUJRHDP-GJZGRUSLSA-N 2 1 277.412 2.471 20 0 CEADMP CO[C@H]1C[C@H]([N@@H+](C)CCCn2cc[nH+]c2C)C12CCC2 ZINC000451854706 283126123 /nfs/dbraw/zinc/12/61/23/283126123.db2.gz QZCGZJROUJRHDP-GJZGRUSLSA-N 2 1 277.412 2.471 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)[C@H]2CCC[C@@H]21 ZINC000353436036 283133164 /nfs/dbraw/zinc/13/31/64/283133164.db2.gz AUOUSYNWYILYTN-IKGGRYGDSA-N 2 1 277.456 2.076 20 0 CEADMP CCn1nc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000414925746 540247632 /nfs/dbraw/zinc/24/76/32/540247632.db2.gz MAIYMWJAXOAAPR-CHWSQXEVSA-N 2 1 272.396 2.416 20 0 CEADMP CC(C)CC[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338280142 366268692 /nfs/dbraw/zinc/26/86/92/366268692.db2.gz QOMPREBRIXEQMP-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338280142 366268698 /nfs/dbraw/zinc/26/86/98/366268698.db2.gz QOMPREBRIXEQMP-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP COC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)CC1 ZINC000452078603 283180352 /nfs/dbraw/zinc/18/03/52/283180352.db2.gz DVGNXZUENFHSII-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP COC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)CC1 ZINC000452078603 283180358 /nfs/dbraw/zinc/18/03/58/283180358.db2.gz DVGNXZUENFHSII-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP COc1c[nH+]ccc1N1CC[NH+](CCSC(C)C)CC1 ZINC000338341937 366305003 /nfs/dbraw/zinc/30/50/03/366305003.db2.gz DAQLNCUNBXRBLT-UHFFFAOYSA-N 2 1 295.452 2.354 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000076003834 363507355 /nfs/dbraw/zinc/50/73/55/363507355.db2.gz GSZLYDMWLSXVOL-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC000076003834 363507374 /nfs/dbraw/zinc/50/73/74/363507374.db2.gz GSZLYDMWLSXVOL-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP COCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110004 363522274 /nfs/dbraw/zinc/52/22/74/363522274.db2.gz DWYUGXQQRZOYFQ-KRWDZBQOSA-N 2 1 276.424 2.477 20 0 CEADMP COCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110004 363522278 /nfs/dbraw/zinc/52/22/78/363522278.db2.gz DWYUGXQQRZOYFQ-KRWDZBQOSA-N 2 1 276.424 2.477 20 0 CEADMP COCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110004 363522282 /nfs/dbraw/zinc/52/22/82/363522282.db2.gz DWYUGXQQRZOYFQ-KRWDZBQOSA-N 2 1 276.424 2.477 20 0 CEADMP c1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)no1 ZINC000134863504 366365942 /nfs/dbraw/zinc/36/59/42/366365942.db2.gz WDBKLLLHKUBLSO-IUODEOHRSA-N 2 1 261.369 2.123 20 0 CEADMP C[N@@H+](CCN[C@@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166335506 540301004 /nfs/dbraw/zinc/30/10/04/540301004.db2.gz AKTXMFSQWSNVJA-NVXWUHKLSA-N 2 1 279.472 2.467 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166335506 540301008 /nfs/dbraw/zinc/30/10/08/540301008.db2.gz AKTXMFSQWSNVJA-NVXWUHKLSA-N 2 1 279.472 2.467 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166335506 540301012 /nfs/dbraw/zinc/30/10/12/540301012.db2.gz AKTXMFSQWSNVJA-NVXWUHKLSA-N 2 1 279.472 2.467 20 0 CEADMP Cc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000155621259 540303640 /nfs/dbraw/zinc/30/36/40/540303640.db2.gz SWBYRUJVZXNCDG-IYBDPMFKSA-N 2 1 291.439 2.369 20 0 CEADMP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000570580169 299266871 /nfs/dbraw/zinc/26/68/71/299266871.db2.gz OAWQIWLUCBLXCQ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)o1 ZINC000685567170 540338499 /nfs/dbraw/zinc/33/84/99/540338499.db2.gz XZUUNWZXERMEAU-ZIAGYGMSSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)o1 ZINC000685567170 540338500 /nfs/dbraw/zinc/33/85/00/540338500.db2.gz XZUUNWZXERMEAU-ZIAGYGMSSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000685567170 540338501 /nfs/dbraw/zinc/33/85/01/540338501.db2.gz XZUUNWZXERMEAU-ZIAGYGMSSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000685567170 540338502 /nfs/dbraw/zinc/33/85/02/540338502.db2.gz XZUUNWZXERMEAU-ZIAGYGMSSA-N 2 1 263.385 2.208 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000127021738 283328189 /nfs/dbraw/zinc/32/81/89/283328189.db2.gz ZBWIYRWWIZXSFV-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CCCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000127021738 283328192 /nfs/dbraw/zinc/32/81/92/283328192.db2.gz ZBWIYRWWIZXSFV-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CCCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000127021738 283328198 /nfs/dbraw/zinc/32/81/98/283328198.db2.gz ZBWIYRWWIZXSFV-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP COCCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000079435321 363600734 /nfs/dbraw/zinc/60/07/34/363600734.db2.gz FPWSQGMJPGANBP-IAGOWNOFSA-N 2 1 298.471 2.236 20 0 CEADMP COCCOCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000079435321 363600739 /nfs/dbraw/zinc/60/07/39/363600739.db2.gz FPWSQGMJPGANBP-IAGOWNOFSA-N 2 1 298.471 2.236 20 0 CEADMP COCCOCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000079435321 363600747 /nfs/dbraw/zinc/60/07/47/363600747.db2.gz FPWSQGMJPGANBP-IAGOWNOFSA-N 2 1 298.471 2.236 20 0 CEADMP COCCOCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000079435321 363600753 /nfs/dbraw/zinc/60/07/53/363600753.db2.gz FPWSQGMJPGANBP-IAGOWNOFSA-N 2 1 298.471 2.236 20 0 CEADMP CCn1nccc1CC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000338545677 366405334 /nfs/dbraw/zinc/40/53/34/366405334.db2.gz IMFJDGZPJMHYHA-ZBFHGGJFSA-N 2 1 278.444 2.250 20 0 CEADMP CCn1nccc1CC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000338545677 366405342 /nfs/dbraw/zinc/40/53/42/366405342.db2.gz IMFJDGZPJMHYHA-ZBFHGGJFSA-N 2 1 278.444 2.250 20 0 CEADMP CCn1nccc1CC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000338545677 366405351 /nfs/dbraw/zinc/40/53/51/366405351.db2.gz IMFJDGZPJMHYHA-ZBFHGGJFSA-N 2 1 278.444 2.250 20 0 CEADMP Cc1cnccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000294827895 199200696 /nfs/dbraw/zinc/20/06/96/199200696.db2.gz NGKGOZFBLBXCDS-OAHLLOKOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cnccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000294827895 199200698 /nfs/dbraw/zinc/20/06/98/199200698.db2.gz NGKGOZFBLBXCDS-OAHLLOKOSA-N 2 1 259.397 2.308 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3[nH]cnc3c2)C1 ZINC000577986480 366425343 /nfs/dbraw/zinc/42/53/43/366425343.db2.gz DLEFCHKWOUCWGM-YOEHRIQHSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3[nH]cnc3c2)C1 ZINC000577986480 366425349 /nfs/dbraw/zinc/42/53/49/366425349.db2.gz DLEFCHKWOUCWGM-YOEHRIQHSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3[nH]cnc3c2)C1 ZINC000577986480 366425355 /nfs/dbraw/zinc/42/53/55/366425355.db2.gz DLEFCHKWOUCWGM-YOEHRIQHSA-N 2 1 284.407 2.479 20 0 CEADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3nc[nH]c3c2)C1 ZINC000577986480 366425362 /nfs/dbraw/zinc/42/53/62/366425362.db2.gz DLEFCHKWOUCWGM-YOEHRIQHSA-N 2 1 284.407 2.479 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3nc[nH]c3c2)C1 ZINC000577986480 366425367 /nfs/dbraw/zinc/42/53/67/366425367.db2.gz DLEFCHKWOUCWGM-YOEHRIQHSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3nc[nH]c3c2)C1 ZINC000577986480 366425373 /nfs/dbraw/zinc/42/53/73/366425373.db2.gz DLEFCHKWOUCWGM-YOEHRIQHSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3nc[nH]c3c2)C1 ZINC000577986480 366425378 /nfs/dbraw/zinc/42/53/78/366425378.db2.gz DLEFCHKWOUCWGM-YOEHRIQHSA-N 2 1 284.407 2.479 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1cscn1 ZINC000294883999 199230118 /nfs/dbraw/zinc/23/01/18/199230118.db2.gz FPADPSQTFDVOGX-UHFFFAOYSA-N 2 1 264.398 2.213 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1cscn1 ZINC000294883999 199230120 /nfs/dbraw/zinc/23/01/20/199230120.db2.gz FPADPSQTFDVOGX-UHFFFAOYSA-N 2 1 264.398 2.213 20 0 CEADMP CCOC(=O)N[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)CC(C)C ZINC000496707067 291163182 /nfs/dbraw/zinc/16/31/82/291163182.db2.gz FXUASDRGOIRKJS-RRFJBIMHSA-N 2 1 299.459 2.267 20 0 CEADMP CO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000578357826 366483511 /nfs/dbraw/zinc/48/35/11/366483511.db2.gz KKDDRLVEIIZUJN-RKTXRCNFSA-N 2 1 296.455 2.033 20 0 CEADMP CN(C)c1nc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cs1 ZINC000671749675 540499873 /nfs/dbraw/zinc/49/98/73/540499873.db2.gz GJOIIEDHAGVEQJ-MJBXVCDLSA-N 2 1 294.468 2.172 20 0 CEADMP CN(C)c1nc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cs1 ZINC000671749675 540499876 /nfs/dbraw/zinc/49/98/76/540499876.db2.gz GJOIIEDHAGVEQJ-MJBXVCDLSA-N 2 1 294.468 2.172 20 0 CEADMP C[N@H+]1CCC[C@H]2CN(Cc3ccnn3CC3CC3)CC[C@H]21 ZINC000667705528 540522467 /nfs/dbraw/zinc/52/24/67/540522467.db2.gz FWUYRWDTLYVZBI-DOTOQJQBSA-N 2 1 288.439 2.209 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000666852295 540509409 /nfs/dbraw/zinc/50/94/09/540509409.db2.gz ZWPHFEHVLNYLKJ-KBPBESRZSA-N 2 1 270.380 2.436 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000336224200 213051780 /nfs/dbraw/zinc/05/17/80/213051780.db2.gz KHLVZAFMAXBEJZ-WCQYABFASA-N 2 1 258.369 2.122 20 0 CEADMP Cc1ncc(C[N@H+](CCO)Cc2ccc(C)cc2)n1C ZINC000667968192 540543766 /nfs/dbraw/zinc/54/37/66/540543766.db2.gz IOIHAPVUTMKISC-UHFFFAOYSA-N 2 1 273.380 2.031 20 0 CEADMP Cc1ncc(C[N@@H+](CCO)Cc2ccc(C)cc2)n1C ZINC000667968192 540543768 /nfs/dbraw/zinc/54/37/68/540543768.db2.gz IOIHAPVUTMKISC-UHFFFAOYSA-N 2 1 273.380 2.031 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccnn2CC2CC2)C1 ZINC000668172444 540577915 /nfs/dbraw/zinc/57/79/15/540577915.db2.gz OEVLMVHNKSAFCO-DOTOQJQBSA-N 2 1 288.439 2.209 20 0 CEADMP Cn1ncc(C2CCC2)c1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000668188746 540581262 /nfs/dbraw/zinc/58/12/62/540581262.db2.gz NKVUBDCTIMQYFA-QGZVFWFLSA-N 2 1 288.439 2.215 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1scnc1C1CC1 ZINC000486973769 540612891 /nfs/dbraw/zinc/61/28/91/540612891.db2.gz WRQLXSMAYKZCHQ-JTQLQIEISA-N 2 1 253.415 2.450 20 0 CEADMP Cc1nc2sccn2c1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000297522524 200218445 /nfs/dbraw/zinc/21/84/45/200218445.db2.gz VIUQYBRPUPINHH-UHFFFAOYSA-N 2 1 278.425 2.136 20 0 CEADMP CC(C)OC[C@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000578997918 366577192 /nfs/dbraw/zinc/57/71/92/366577192.db2.gz LRHMZAPMHADYSK-JKSUJKDBSA-N 2 1 286.460 2.017 20 0 CEADMP Cc1[nH+]ccn1CC(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000297697049 200263397 /nfs/dbraw/zinc/26/33/97/200263397.db2.gz XGHWBBJQPKHTJZ-UHFFFAOYSA-N 2 1 286.379 2.200 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C2(C(=O)Nc3ccccc3)CC2)C1 ZINC000571226021 299300168 /nfs/dbraw/zinc/30/01/68/299300168.db2.gz HIFMGLJXOCDRID-OCCSQVGLSA-N 2 1 273.380 2.017 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC2(OC)CCC2)C1 ZINC000339013000 366614639 /nfs/dbraw/zinc/61/46/39/366614639.db2.gz ZHFCOPCBQDROLQ-INIZCTEOSA-N 2 1 298.471 2.378 20 0 CEADMP COC1(CC[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)CCC1 ZINC000339009721 366611918 /nfs/dbraw/zinc/61/19/18/366611918.db2.gz GXYIOQFWWIEWFS-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(CC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CCC1 ZINC000339009721 366611921 /nfs/dbraw/zinc/61/19/21/366611921.db2.gz GXYIOQFWWIEWFS-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CCC1 ZINC000339009721 366611923 /nfs/dbraw/zinc/61/19/23/366611923.db2.gz GXYIOQFWWIEWFS-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(CC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000339009721 366611925 /nfs/dbraw/zinc/61/19/25/366611925.db2.gz GXYIOQFWWIEWFS-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000339009721 366611927 /nfs/dbraw/zinc/61/19/27/366611927.db2.gz GXYIOQFWWIEWFS-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCc2cccc(C)n2)C1 ZINC000579348118 366630915 /nfs/dbraw/zinc/63/09/15/366630915.db2.gz VIMJDLJROKBCAN-OAHLLOKOSA-N 2 1 261.413 2.206 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2cccc(C)n2)C1 ZINC000579348118 366630920 /nfs/dbraw/zinc/63/09/20/366630920.db2.gz VIMJDLJROKBCAN-OAHLLOKOSA-N 2 1 261.413 2.206 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2cccc(C)n2)C1 ZINC000579348118 366630924 /nfs/dbraw/zinc/63/09/24/366630924.db2.gz VIMJDLJROKBCAN-OAHLLOKOSA-N 2 1 261.413 2.206 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2cccc(C)n2)C1 ZINC000579348118 366630929 /nfs/dbraw/zinc/63/09/29/366630929.db2.gz VIMJDLJROKBCAN-OAHLLOKOSA-N 2 1 261.413 2.206 20 0 CEADMP CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccncc1 ZINC000579489150 366654594 /nfs/dbraw/zinc/65/45/94/366654594.db2.gz JNVBRIPMSRSJKV-UHFFFAOYSA-N 2 1 258.369 2.270 20 0 CEADMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccncc1 ZINC000579489150 366654601 /nfs/dbraw/zinc/65/46/01/366654601.db2.gz JNVBRIPMSRSJKV-UHFFFAOYSA-N 2 1 258.369 2.270 20 0 CEADMP Fc1cccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000339066031 366638665 /nfs/dbraw/zinc/63/86/65/366638665.db2.gz AKFUJAFHEIITQR-HUUCEWRRSA-N 2 1 278.371 2.421 20 0 CEADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000339070271 366640263 /nfs/dbraw/zinc/64/02/63/366640263.db2.gz KPASKMIAFPOIAT-RCCFBDPRSA-N 2 1 288.435 2.054 20 0 CEADMP CCc1noc(CC)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000571413694 299308975 /nfs/dbraw/zinc/30/89/75/299308975.db2.gz APVUEWSGTZHLLD-NSHDSACASA-N 2 1 251.374 2.031 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3cccnc3)CC[C@@H]21 ZINC000178112764 189091377 /nfs/dbraw/zinc/09/13/77/189091377.db2.gz NQEWUUGXKIVVMQ-CVEARBPZSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3cccnc3)CC[C@@H]21 ZINC000178112764 189091378 /nfs/dbraw/zinc/09/13/78/189091378.db2.gz NQEWUUGXKIVVMQ-CVEARBPZSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cccnc3)CC[C@@H]21 ZINC000178112764 189091379 /nfs/dbraw/zinc/09/13/79/189091379.db2.gz NQEWUUGXKIVVMQ-CVEARBPZSA-N 2 1 259.397 2.040 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cncs1 ZINC000178622013 189131881 /nfs/dbraw/zinc/13/18/81/189131881.db2.gz SEEADQIZCMXSEG-SNVBAGLBSA-N 2 1 250.371 2.074 20 0 CEADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCCCCC[NH3+] ZINC000178847452 189150519 /nfs/dbraw/zinc/15/05/19/189150519.db2.gz GPHRCFONBUBUCS-HNNXBMFYSA-N 2 1 292.427 2.092 20 0 CEADMP CSc1ccc(OCC[NH2+]CC2([NH3+])CCC2)cc1 ZINC000342119063 216224740 /nfs/dbraw/zinc/22/47/40/216224740.db2.gz HAOXHVZHVNJSJT-UHFFFAOYSA-N 2 1 266.410 2.258 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000675495590 540846850 /nfs/dbraw/zinc/84/68/50/540846850.db2.gz GKQVCCFMCNMNHJ-HZPDHXFCSA-N 2 1 267.461 2.323 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cccc(OC(F)F)c2)CCC1 ZINC000342145112 216238742 /nfs/dbraw/zinc/23/87/42/216238742.db2.gz XAAYMVQOLKPOBX-UHFFFAOYSA-N 2 1 256.296 2.259 20 0 CEADMP c1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000675750220 540870626 /nfs/dbraw/zinc/87/06/26/540870626.db2.gz WMCSWHQIDPOLBY-SZMVWBNQSA-N 2 1 285.435 2.482 20 0 CEADMP c1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000675750220 540870629 /nfs/dbraw/zinc/87/06/29/540870629.db2.gz WMCSWHQIDPOLBY-SZMVWBNQSA-N 2 1 285.435 2.482 20 0 CEADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCc1c[nH+]cn1C ZINC000675943748 540884728 /nfs/dbraw/zinc/88/47/28/540884728.db2.gz OQBDXLDULOFQFJ-AWEZNQCLSA-N 2 1 289.354 2.387 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180156414 189239762 /nfs/dbraw/zinc/23/97/62/189239762.db2.gz BIODGFUALKTRFA-XWTMOSNGSA-N 2 1 288.435 2.258 20 0 CEADMP OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180104413 189237131 /nfs/dbraw/zinc/23/71/31/189237131.db2.gz PQSWCFJNMZBLCB-ALOPSCKCSA-N 2 1 274.408 2.154 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccns2)C[C@H](C)O1 ZINC000638681577 370681715 /nfs/dbraw/zinc/68/17/15/370681715.db2.gz NDKVQUIPAMMKPW-BETUJISGSA-N 2 1 283.441 2.122 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000580254813 366770274 /nfs/dbraw/zinc/77/02/74/366770274.db2.gz GJKMSXCTZLQOKW-LVQVYYBASA-N 2 1 297.487 2.484 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000580254813 366770284 /nfs/dbraw/zinc/77/02/84/366770284.db2.gz GJKMSXCTZLQOKW-LVQVYYBASA-N 2 1 297.487 2.484 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000580254813 366770288 /nfs/dbraw/zinc/77/02/88/366770288.db2.gz GJKMSXCTZLQOKW-LVQVYYBASA-N 2 1 297.487 2.484 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000154545634 366777604 /nfs/dbraw/zinc/77/76/04/366777604.db2.gz QRTVYKFIPNZGAE-ZNMIVQPWSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000340124871 366778190 /nfs/dbraw/zinc/77/81/90/366778190.db2.gz HKQIDMSBRSVJJQ-OAGGEKHMSA-N 2 1 295.471 2.132 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2ccc(O)cc2CC1 ZINC000678079556 541078264 /nfs/dbraw/zinc/07/82/64/541078264.db2.gz REPQPAACKCTPMH-INIZCTEOSA-N 2 1 274.408 2.277 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000678079556 541078267 /nfs/dbraw/zinc/07/82/67/541078267.db2.gz REPQPAACKCTPMH-INIZCTEOSA-N 2 1 274.408 2.277 20 0 CEADMP C[C@@H](C[NH2+]Cc1cc(O)cc(F)c1)C[NH+]1CCCC1 ZINC000184142489 189377463 /nfs/dbraw/zinc/37/74/63/189377463.db2.gz OJXZKFBUIHIWKI-LBPRGKRZSA-N 2 1 266.360 2.353 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2cn3cccc(F)c3n2)CC1 ZINC000678139150 541087178 /nfs/dbraw/zinc/08/71/78/541087178.db2.gz LWADESBDSOVBLG-UHFFFAOYSA-N 2 1 290.386 2.247 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000019942835 361568417 /nfs/dbraw/zinc/56/84/17/361568417.db2.gz UMRGVEFJTWNNOY-UHFFFAOYSA-N 2 1 277.412 2.467 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1OC ZINC000019959183 361570882 /nfs/dbraw/zinc/57/08/82/361570882.db2.gz GNMIJHVEESCMSV-LBPRGKRZSA-N 2 1 266.385 2.306 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000020047979 361575890 /nfs/dbraw/zinc/57/58/90/361575890.db2.gz RZFBSQRRCOZROZ-CQSZACIVSA-N 2 1 289.423 2.140 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000020047979 361575897 /nfs/dbraw/zinc/57/58/97/361575897.db2.gz RZFBSQRRCOZROZ-CQSZACIVSA-N 2 1 289.423 2.140 20 0 CEADMP COc1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1O ZINC000678588369 541153998 /nfs/dbraw/zinc/15/39/98/541153998.db2.gz YERLILUYDXHVLA-GJZGRUSLSA-N 2 1 290.407 2.160 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H]2CCc3ccccc3C2)CC1 ZINC000678591688 541154871 /nfs/dbraw/zinc/15/48/71/541154871.db2.gz RVICNOLVFYGDLQ-AWEZNQCLSA-N 2 1 258.409 2.475 20 0 CEADMP C[C@@H](CCCCO)[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000679341547 541260344 /nfs/dbraw/zinc/26/03/44/541260344.db2.gz MSUAFHPIGNXNCE-SOUVJXGZSA-N 2 1 256.434 2.390 20 0 CEADMP C[C@@H](CCCCO)[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000679341547 541260345 /nfs/dbraw/zinc/26/03/45/541260345.db2.gz MSUAFHPIGNXNCE-SOUVJXGZSA-N 2 1 256.434 2.390 20 0 CEADMP C[C@@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCOC1 ZINC000679573667 541292124 /nfs/dbraw/zinc/29/21/24/541292124.db2.gz BOCNUPMPGULIEW-QXSJWSMHSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCOC1 ZINC000679573667 541292125 /nfs/dbraw/zinc/29/21/25/541292125.db2.gz BOCNUPMPGULIEW-QXSJWSMHSA-N 2 1 268.445 2.369 20 0 CEADMP CC(C)n1cncc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000090208504 364048910 /nfs/dbraw/zinc/04/89/10/364048910.db2.gz SIYCMTSBSZKDON-CYBMUJFWSA-N 2 1 262.401 2.038 20 0 CEADMP CC(C)n1cncc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000090208504 364048916 /nfs/dbraw/zinc/04/89/16/364048916.db2.gz SIYCMTSBSZKDON-CYBMUJFWSA-N 2 1 262.401 2.038 20 0 CEADMP c1[nH+]c(C2CC[NH+](C[C@@H]3CCOC3)CC2)n2c1CCCC2 ZINC000334640420 364119194 /nfs/dbraw/zinc/11/91/94/364119194.db2.gz OLNKELFWVCWWNN-AWEZNQCLSA-N 2 1 289.423 2.435 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CCc2ccc(C(C)(C)C)cc2)C1 ZINC000356428167 370707253 /nfs/dbraw/zinc/70/72/53/370707253.db2.gz YYCJQRCGONCOLJ-GOSISDBHSA-N 2 1 290.451 2.183 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]CCc2ccc(C(C)(C)C)cc2)C1 ZINC000356428167 370707260 /nfs/dbraw/zinc/70/72/60/370707260.db2.gz YYCJQRCGONCOLJ-GOSISDBHSA-N 2 1 290.451 2.183 20 0 CEADMP Cc1nn(C)c(Cl)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000237346013 370712906 /nfs/dbraw/zinc/71/29/06/370712906.db2.gz NNWMUNGZKWJPHG-JTQLQIEISA-N 2 1 295.818 2.313 20 0 CEADMP Cc1cc(CNC2CC[NH+](CCOC(C)C)CC2)sn1 ZINC000638726056 370713973 /nfs/dbraw/zinc/71/39/73/370713973.db2.gz NOKFREFJCIENDU-UHFFFAOYSA-N 2 1 297.468 2.431 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000334679012 364170294 /nfs/dbraw/zinc/17/02/94/364170294.db2.gz PVDDJJIZPLDQQI-CYBMUJFWSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000237466178 370724194 /nfs/dbraw/zinc/72/41/94/370724194.db2.gz HILSVUPGQUAHPV-UONOGXRCSA-N 2 1 289.423 2.024 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[NH3+])cc2)C1 ZINC000237503339 370726877 /nfs/dbraw/zinc/72/68/77/370726877.db2.gz VWAAEOQIPZWMDD-ZDUSSCGKSA-N 2 1 275.396 2.206 20 0 CEADMP C[C@@H](O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638798149 370758648 /nfs/dbraw/zinc/75/86/48/370758648.db2.gz BSXUKAFNUAOSEK-UKPHBRMFSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638798149 370758652 /nfs/dbraw/zinc/75/86/52/370758652.db2.gz BSXUKAFNUAOSEK-UKPHBRMFSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@H+](Cc1ccc(F)cc1F)CC1CC[NH2+]CC1 ZINC000094010976 364246764 /nfs/dbraw/zinc/24/67/64/364246764.db2.gz KHHYJIXGBXKUON-UHFFFAOYSA-N 2 1 254.324 2.396 20 0 CEADMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@H](CC)C(=O)OCC ZINC000094025708 364248562 /nfs/dbraw/zinc/24/85/62/364248562.db2.gz DYWYRSNVIFDYBS-CQSZACIVSA-N 2 1 270.417 2.040 20 0 CEADMP c1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)on1 ZINC000334994696 364323614 /nfs/dbraw/zinc/32/36/14/364323614.db2.gz ZHTGJVBMFMAJRM-DOMZBBRYSA-N 2 1 261.369 2.123 20 0 CEADMP c1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000334868874 364280095 /nfs/dbraw/zinc/28/00/95/364280095.db2.gz MWIUXPKAJCREOD-DGCLKSJQSA-N 2 1 251.399 2.107 20 0 CEADMP c1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000334868874 364280099 /nfs/dbraw/zinc/28/00/99/364280099.db2.gz MWIUXPKAJCREOD-DGCLKSJQSA-N 2 1 251.399 2.107 20 0 CEADMP CCc1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000094589983 364280545 /nfs/dbraw/zinc/28/05/45/364280545.db2.gz LCHKHSIAVPJOMA-NWDGAFQWSA-N 2 1 265.426 2.422 20 0 CEADMP CCc1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000094589983 364280550 /nfs/dbraw/zinc/28/05/50/364280550.db2.gz LCHKHSIAVPJOMA-NWDGAFQWSA-N 2 1 265.426 2.422 20 0 CEADMP Cc1ccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn2c1 ZINC000334982013 364306663 /nfs/dbraw/zinc/30/66/63/364306663.db2.gz XMYXDINZPKMWQZ-JKSUJKDBSA-N 2 1 298.434 2.464 20 0 CEADMP c1ccc2c(c1)SCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000335029430 364375244 /nfs/dbraw/zinc/37/52/44/364375244.db2.gz KPNJJVKOIQPVMW-GXTWGEPZSA-N 2 1 278.421 2.192 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000335670177 212390203 /nfs/dbraw/zinc/39/02/03/212390203.db2.gz MKQIRYQTGPFFGW-WBMJQRKESA-N 2 1 260.381 2.147 20 0 CEADMP C[C@@H](CCO)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000097439906 364501033 /nfs/dbraw/zinc/50/10/33/364501033.db2.gz VYAVRHMBCAHDOK-INIZCTEOSA-N 2 1 290.451 2.302 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH+](C)C(C)C)c1ccccc1 ZINC000103193872 364633443 /nfs/dbraw/zinc/63/34/43/364633443.db2.gz NOZVNDXLXJSDIZ-MRXNPFEDSA-N 2 1 291.439 2.136 20 0 CEADMP CC[NH+](C)[C@@H](C(=O)NCC[N@H+](C)C(C)C)c1ccccc1 ZINC000103193872 364633449 /nfs/dbraw/zinc/63/34/49/364633449.db2.gz NOZVNDXLXJSDIZ-MRXNPFEDSA-N 2 1 291.439 2.136 20 0 CEADMP CC[NH+](C)[C@@H](C(=O)NCC[N@@H+](C)C(C)C)c1ccccc1 ZINC000103193872 364633459 /nfs/dbraw/zinc/63/34/59/364633459.db2.gz NOZVNDXLXJSDIZ-MRXNPFEDSA-N 2 1 291.439 2.136 20 0 CEADMP COc1ccccc1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104097940 364677201 /nfs/dbraw/zinc/67/72/01/364677201.db2.gz DLAYJLABZLAQPV-CQSZACIVSA-N 2 1 262.397 2.469 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H]2CSc3ccccc3O2)CC1 ZINC000335384316 364697632 /nfs/dbraw/zinc/69/76/32/364697632.db2.gz FNPGZKUAURUKLI-ZDUSSCGKSA-N 2 1 278.421 2.224 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335634040 212349164 /nfs/dbraw/zinc/34/91/64/212349164.db2.gz LTDOPCMDFRVMKI-JKSUJKDBSA-N 2 1 298.434 2.464 20 0 CEADMP C[C@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CC2(CCC2)O1 ZINC000335464294 364768192 /nfs/dbraw/zinc/76/81/92/364768192.db2.gz OUPGDOBPEXOGQM-UONOGXRCSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CC2(CCC2)O1 ZINC000335464294 364768193 /nfs/dbraw/zinc/76/81/93/364768193.db2.gz OUPGDOBPEXOGQM-UONOGXRCSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CC2(CCC2)O1 ZINC000335464294 364768198 /nfs/dbraw/zinc/76/81/98/364768198.db2.gz OUPGDOBPEXOGQM-UONOGXRCSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CC2(CCC2)O1 ZINC000335464294 364768201 /nfs/dbraw/zinc/76/82/01/364768201.db2.gz OUPGDOBPEXOGQM-UONOGXRCSA-N 2 1 252.402 2.114 20 0 CEADMP Cc1cnccc1CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000335464934 364770010 /nfs/dbraw/zinc/77/00/10/364770010.db2.gz XUUUGHJLMHFUOL-SJORKVTESA-N 2 1 273.424 2.349 20 0 CEADMP Cc1cnccc1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000335464934 364770017 /nfs/dbraw/zinc/77/00/17/364770017.db2.gz XUUUGHJLMHFUOL-SJORKVTESA-N 2 1 273.424 2.349 20 0 CEADMP Cc1cnccc1CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000335464934 364770023 /nfs/dbraw/zinc/77/00/23/364770023.db2.gz XUUUGHJLMHFUOL-SJORKVTESA-N 2 1 273.424 2.349 20 0 CEADMP CCn1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000112095627 364774157 /nfs/dbraw/zinc/77/41/57/364774157.db2.gz VWBOEAAETYREIC-UHFFFAOYSA-N 2 1 264.417 2.302 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(C[NH3+])cc2)C[C@H]1C ZINC000335635555 212350272 /nfs/dbraw/zinc/35/02/72/212350272.db2.gz RTGZJZGZHYTBNO-OLZOCXBDSA-N 2 1 290.411 2.092 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335631976 212344920 /nfs/dbraw/zinc/34/49/20/212344920.db2.gz GCHDQIBINIUXBD-QWHCGFSZSA-N 2 1 265.426 2.273 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H](C[NH+](C)C)C2)c1C ZINC000113515684 364903668 /nfs/dbraw/zinc/90/36/68/364903668.db2.gz NWASWGKSXSPBPU-CQSZACIVSA-N 2 1 277.412 2.091 20 0 CEADMP COc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](C)CC1)C2 ZINC000680352347 541397659 /nfs/dbraw/zinc/39/76/59/541397659.db2.gz MKMFRARKJLRDCL-INIZCTEOSA-N 2 1 274.408 2.236 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnc3n2CCCC3)[C@H]2CCC[C@H]21 ZINC000572186137 299351491 /nfs/dbraw/zinc/35/14/91/299351491.db2.gz OSNXQBINTSPFOC-OWCLPIDISA-N 2 1 288.439 2.182 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccnc1 ZINC000275364582 193011692 /nfs/dbraw/zinc/01/16/92/193011692.db2.gz BLUAWPZJWGUPTO-STQMWFEESA-N 2 1 256.353 2.191 20 0 CEADMP C[C@H]1OCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000119784516 365325018 /nfs/dbraw/zinc/32/50/18/365325018.db2.gz PIMRJWLVDBQDFV-RHSMWYFYSA-N 2 1 274.408 2.418 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C2CCCC2)CC1 ZINC000120091894 365370376 /nfs/dbraw/zinc/37/03/76/365370376.db2.gz JJWSCHJVMYTZHR-MRXNPFEDSA-N 2 1 265.445 2.031 20 0 CEADMP CCCCNC(=O)[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000120115664 365373989 /nfs/dbraw/zinc/37/39/89/365373989.db2.gz LIEBZZSGLASDCF-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCNC(=O)[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000120115664 365373991 /nfs/dbraw/zinc/37/39/91/365373991.db2.gz LIEBZZSGLASDCF-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCNC(=O)[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000120115664 365373996 /nfs/dbraw/zinc/37/39/96/365373996.db2.gz LIEBZZSGLASDCF-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000340465295 366893560 /nfs/dbraw/zinc/89/35/60/366893560.db2.gz HSKVNVHDAVXZJW-ZDUSSCGKSA-N 2 1 265.401 2.473 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000582368133 366901968 /nfs/dbraw/zinc/90/19/68/366901968.db2.gz XJGRZMKPNSLGHA-GWCFXTLKSA-N 2 1 297.349 2.105 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000340534458 366925105 /nfs/dbraw/zinc/92/51/05/366925105.db2.gz KPHGDSXIWRXVNP-KGLIPLIRSA-N 2 1 264.417 2.428 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000340534458 366925111 /nfs/dbraw/zinc/92/51/11/366925111.db2.gz KPHGDSXIWRXVNP-KGLIPLIRSA-N 2 1 264.417 2.428 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[C@H]1C ZINC000582601701 366932681 /nfs/dbraw/zinc/93/26/81/366932681.db2.gz TXEOCYINCVSAMI-HLPPOEQASA-N 2 1 268.445 2.103 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[C@H]1C ZINC000582601701 366932684 /nfs/dbraw/zinc/93/26/84/366932684.db2.gz TXEOCYINCVSAMI-HLPPOEQASA-N 2 1 268.445 2.103 20 0 CEADMP CC/C=C\CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000681023298 541490325 /nfs/dbraw/zinc/49/03/25/541490325.db2.gz DXGHGOBXLQMXNT-JEZUCGJFSA-N 2 1 279.472 2.301 20 0 CEADMP CC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000340714762 366999717 /nfs/dbraw/zinc/99/97/17/366999717.db2.gz ZHNWSFNRDVFXDQ-IAGOWNOFSA-N 2 1 276.424 2.259 20 0 CEADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCOCC1 ZINC000583675683 367081356 /nfs/dbraw/zinc/08/13/56/367081356.db2.gz RNJJRFKOWYCTDS-UYTSQGDYSA-N 2 1 266.429 2.406 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000583928608 367116184 /nfs/dbraw/zinc/11/61/84/367116184.db2.gz KJRMQBSDIMRJFD-LSDHHAIUSA-N 2 1 285.395 2.017 20 0 CEADMP CC(C)C[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000161584356 367099514 /nfs/dbraw/zinc/09/95/14/367099514.db2.gz ADCOCJBLIBMWAD-DLBZAZTESA-N 2 1 279.472 2.323 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000161618593 367102413 /nfs/dbraw/zinc/10/24/13/367102413.db2.gz YRWJPMVOYWRMJR-KRWDZBQOSA-N 3 1 279.472 2.279 20 0 CEADMP C[N@@H+]1CCC[C@H]1CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000161618593 367102415 /nfs/dbraw/zinc/10/24/15/367102415.db2.gz YRWJPMVOYWRMJR-KRWDZBQOSA-N 2 1 279.472 2.279 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000161618593 367102417 /nfs/dbraw/zinc/10/24/17/367102417.db2.gz YRWJPMVOYWRMJR-KRWDZBQOSA-N 2 1 279.472 2.279 20 0 CEADMP Cc1ccccc1[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163183572 367222110 /nfs/dbraw/zinc/22/21/10/367222110.db2.gz WAKKFKYSYIPCNJ-YCPHGPKFSA-N 2 1 262.397 2.101 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000163391140 367236120 /nfs/dbraw/zinc/23/61/20/367236120.db2.gz QFYYYTVWRHYHKS-HNNXBMFYSA-N 2 1 287.411 2.325 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000163391140 367236124 /nfs/dbraw/zinc/23/61/24/367236124.db2.gz QFYYYTVWRHYHKS-HNNXBMFYSA-N 2 1 287.411 2.325 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](CNc2ccccn2)C1 ZINC000163458941 367242530 /nfs/dbraw/zinc/24/25/30/367242530.db2.gz IVYSOLHXHXQMBL-HZPDHXFCSA-N 2 1 288.439 2.300 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000163458941 367242535 /nfs/dbraw/zinc/24/25/35/367242535.db2.gz IVYSOLHXHXQMBL-HZPDHXFCSA-N 2 1 288.439 2.300 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000163458941 367242540 /nfs/dbraw/zinc/24/25/40/367242540.db2.gz IVYSOLHXHXQMBL-HZPDHXFCSA-N 2 1 288.439 2.300 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cnccn1 ZINC000164636449 367292215 /nfs/dbraw/zinc/29/22/15/367292215.db2.gz IRYZIBHQJKARGU-GFCCVEGCSA-N 2 1 259.357 2.113 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342134415 367386428 /nfs/dbraw/zinc/38/64/28/367386428.db2.gz PRJBJPNLHFYKGB-ZNMIVQPWSA-N 2 1 296.418 2.497 20 0 CEADMP FC1(F)CC[C@H](C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000631827376 367566194 /nfs/dbraw/zinc/56/61/94/367566194.db2.gz NDMKLLVBXWELGH-STQMWFEESA-N 2 1 258.356 2.497 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](CCc2cccc3c2OC(F)(F)O3)C1 ZINC000631821677 367559486 /nfs/dbraw/zinc/55/94/86/367559486.db2.gz FTZGTZBWNRYNBD-LLVKDONJSA-N 2 1 298.333 2.092 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCc2cccc3c2OC(F)(F)O3)C1 ZINC000631821677 367559491 /nfs/dbraw/zinc/55/94/91/367559491.db2.gz FTZGTZBWNRYNBD-LLVKDONJSA-N 2 1 298.333 2.092 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2nc(C3CCC3)no2)CC1 ZINC000631823497 367560873 /nfs/dbraw/zinc/56/08/73/367560873.db2.gz GBMDSZGITYDXCG-UHFFFAOYSA-N 2 1 278.400 2.159 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2CCOC3)CC[N@H+]1C ZINC000631730065 367507592 /nfs/dbraw/zinc/50/75/92/367507592.db2.gz VOBTWUQPXFUSFJ-CJNGLKHVSA-N 2 1 274.408 2.332 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000631825815 367564649 /nfs/dbraw/zinc/56/46/49/367564649.db2.gz VIPFYWYBWPOLEF-AWEZNQCLSA-N 2 1 274.408 2.320 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2nc(CC3CC3)no2)[C@@H]1CCC[NH3+] ZINC000631829319 367567759 /nfs/dbraw/zinc/56/77/59/367567759.db2.gz NJYLFAVALXCMAM-TZMCWYRMSA-N 2 1 292.427 2.362 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000631841177 367582496 /nfs/dbraw/zinc/58/24/96/367582496.db2.gz ZGSTTWYMXCBVRD-TZMCWYRMSA-N 2 1 271.364 2.368 20 0 CEADMP C[NH2+]CCC[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000631836031 367574826 /nfs/dbraw/zinc/57/48/26/367574826.db2.gz LSSIDFLMDGXNDR-UHFFFAOYSA-N 2 1 266.360 2.278 20 0 CEADMP CCCCC[N@H+](CCO)CCCn1cc[nH+]c1C ZINC000342860763 367575372 /nfs/dbraw/zinc/57/53/72/367575372.db2.gz QFAWWBNSVKPKAU-UHFFFAOYSA-N 2 1 253.390 2.066 20 0 CEADMP CCCCC[N@@H+](CCO)CCCn1cc[nH+]c1C ZINC000342860763 367575379 /nfs/dbraw/zinc/57/53/79/367575379.db2.gz QFAWWBNSVKPKAU-UHFFFAOYSA-N 2 1 253.390 2.066 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H]2CCC[C@H]21 ZINC000681710510 541585979 /nfs/dbraw/zinc/58/59/79/541585979.db2.gz SYRLNNHHSIWYGV-FGTMMUONSA-N 2 1 288.435 2.354 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H]2CCC[C@H]21 ZINC000681710510 541585983 /nfs/dbraw/zinc/58/59/83/541585983.db2.gz SYRLNNHHSIWYGV-FGTMMUONSA-N 2 1 288.435 2.354 20 0 CEADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000681710510 541585989 /nfs/dbraw/zinc/58/59/89/541585989.db2.gz SYRLNNHHSIWYGV-FGTMMUONSA-N 2 1 288.435 2.354 20 0 CEADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000681710510 541585992 /nfs/dbraw/zinc/58/59/92/541585992.db2.gz SYRLNNHHSIWYGV-FGTMMUONSA-N 2 1 288.435 2.354 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)s1 ZINC000631890838 367612006 /nfs/dbraw/zinc/61/20/06/367612006.db2.gz VYIMFCHOVFAOQH-CHWSQXEVSA-N 2 1 265.426 2.334 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)s1 ZINC000631890838 367612013 /nfs/dbraw/zinc/61/20/13/367612013.db2.gz VYIMFCHOVFAOQH-CHWSQXEVSA-N 2 1 265.426 2.334 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000572502471 299375019 /nfs/dbraw/zinc/37/50/19/299375019.db2.gz TZEWKRLKXSPUHS-IRXDYDNUSA-N 2 1 279.472 2.419 20 0 CEADMP C[C@H]1CN(C)C[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000343439489 367816112 /nfs/dbraw/zinc/81/61/12/367816112.db2.gz KREHQTYXLXQMAP-OWCLPIDISA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC[N@@H+]1C ZINC000245854732 370881096 /nfs/dbraw/zinc/88/10/96/370881096.db2.gz GWECLKRUULOXGW-RYPNDVFKSA-N 2 1 264.413 2.016 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC[N@H+]1C ZINC000245854732 370881099 /nfs/dbraw/zinc/88/10/99/370881099.db2.gz GWECLKRUULOXGW-RYPNDVFKSA-N 2 1 264.413 2.016 20 0 CEADMP COc1ccc(OC)c(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358022966 370873545 /nfs/dbraw/zinc/87/35/45/370873545.db2.gz JFUNCWGQROLIKJ-CZUORRHYSA-N 2 1 292.423 2.176 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)CC2CCCC2)[C@H](C)C1 ZINC000343595613 367907005 /nfs/dbraw/zinc/90/70/05/367907005.db2.gz KNRWTKOFYXGULR-OIISXLGYSA-N 2 1 282.472 2.495 20 0 CEADMP c1cncc(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173595155 367926533 /nfs/dbraw/zinc/92/65/33/367926533.db2.gz GJPSDKSERNYIHS-QGZVFWFLSA-N 2 1 273.424 2.432 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)OC(C)C)CC1 ZINC000173367831 367903768 /nfs/dbraw/zinc/90/37/68/367903768.db2.gz UCQYPQYKDYEGRW-UHFFFAOYSA-N 2 1 270.417 2.134 20 0 CEADMP CC(C)CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000343829590 368027019 /nfs/dbraw/zinc/02/70/19/368027019.db2.gz MFFWKBLGVZHECM-HOCLYGCPSA-N 2 1 270.461 2.494 20 0 CEADMP CC(C)CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000343829590 368027023 /nfs/dbraw/zinc/02/70/23/368027023.db2.gz MFFWKBLGVZHECM-HOCLYGCPSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@H](CCO)C1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000344296370 368118278 /nfs/dbraw/zinc/11/82/78/368118278.db2.gz LXEARWFOSULZGP-KFWWJZLASA-N 2 1 268.445 2.248 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccccc2)[C@H](C)C1 ZINC000175727624 368168145 /nfs/dbraw/zinc/16/81/45/368168145.db2.gz MTXDBWJFMDQPON-NXHRZFHOSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cc2ccccc2)[C@H](C)C1 ZINC000175727624 368168152 /nfs/dbraw/zinc/16/81/52/368168152.db2.gz MTXDBWJFMDQPON-NXHRZFHOSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cc2ccccc2)[C@H](C)C1 ZINC000175727624 368168161 /nfs/dbraw/zinc/16/81/61/368168161.db2.gz MTXDBWJFMDQPON-NXHRZFHOSA-N 2 1 290.451 2.252 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CCCC1 ZINC000354327361 296115009 /nfs/dbraw/zinc/11/50/09/296115009.db2.gz GVDCWYHSBDANJT-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc(NC(N)=O)cc1 ZINC000223219603 299384550 /nfs/dbraw/zinc/38/45/50/299384550.db2.gz QNCFOPGAJTZRKS-SLEUVZQESA-N 2 1 290.411 2.168 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCC1 ZINC000178070058 368286312 /nfs/dbraw/zinc/28/63/12/368286312.db2.gz GJIHYYFXVWBOEQ-DZGCQCFKSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(NC(N)=O)cc1 ZINC000223219603 299384545 /nfs/dbraw/zinc/38/45/45/299384545.db2.gz QNCFOPGAJTZRKS-SLEUVZQESA-N 2 1 290.411 2.168 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633954169 368469861 /nfs/dbraw/zinc/46/98/61/368469861.db2.gz XUBDQRPQTTXLCK-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP CC(C)(C)CC(=O)N1CCC([NH2+]CCC[NH+]2CCC2)CC1 ZINC000572661870 299387689 /nfs/dbraw/zinc/38/76/89/299387689.db2.gz UVAHBRGBVWTQHG-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCCC[NH+]1CC(O)C[N@@H+]1CCCC[C@@H]1C ZINC000181774586 368494428 /nfs/dbraw/zinc/49/44/28/368494428.db2.gz LBIMATGZSLYGRB-YIONKMFJSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CC(O)C[NH+]1CCCC[C@@H]1C ZINC000181774586 368494429 /nfs/dbraw/zinc/49/44/29/368494429.db2.gz LBIMATGZSLYGRB-YIONKMFJSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CC(O)C[NH+]1CCCC[C@@H]1C ZINC000181774586 368494430 /nfs/dbraw/zinc/49/44/30/368494430.db2.gz LBIMATGZSLYGRB-YIONKMFJSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)[NH+](CC)CC ZINC000345985630 368508303 /nfs/dbraw/zinc/50/83/03/368508303.db2.gz DLFSFXOOHSLWLA-OWCLPIDISA-N 2 1 297.487 2.486 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CC1CC1 ZINC000346178179 368579044 /nfs/dbraw/zinc/57/90/44/368579044.db2.gz OMPSPILCZMFLMH-UHFFFAOYSA-N 2 1 256.353 2.418 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC000346407262 368664718 /nfs/dbraw/zinc/66/47/18/368664718.db2.gz DXSKCMFVGQFGBH-INIZCTEOSA-N 2 1 295.402 2.153 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000346407262 368664730 /nfs/dbraw/zinc/66/47/30/368664730.db2.gz DXSKCMFVGQFGBH-INIZCTEOSA-N 2 1 295.402 2.153 20 0 CEADMP CCO[C@H]1C[C@@H]([N@H+](C)CCn2cc[nH+]c2C)C12CCC2 ZINC000346298123 368625410 /nfs/dbraw/zinc/62/54/10/368625410.db2.gz AVGYHGIUWKUYLI-CABCVRRESA-N 2 1 277.412 2.471 20 0 CEADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2C)C12CCC2 ZINC000346298123 368625414 /nfs/dbraw/zinc/62/54/14/368625414.db2.gz AVGYHGIUWKUYLI-CABCVRRESA-N 2 1 277.412 2.471 20 0 CEADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000346367640 368652295 /nfs/dbraw/zinc/65/22/95/368652295.db2.gz KGCNIZIINLVRFW-LVQVYYBASA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCCCO2)CC[N@H+]1C ZINC000183989023 368662517 /nfs/dbraw/zinc/66/25/17/368662517.db2.gz WAWDVAYIQZTVPH-ILXRZTDVSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)[C@H]1CCOC1 ZINC000358087167 370898994 /nfs/dbraw/zinc/89/89/94/370898994.db2.gz QGJDLNLBSWCDPT-SNPRPXQTSA-N 2 1 265.401 2.232 20 0 CEADMP CC1(C)CC[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)O1 ZINC000184658691 368709335 /nfs/dbraw/zinc/70/93/35/368709335.db2.gz IAVMUGZYMLCETN-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000358162109 370932100 /nfs/dbraw/zinc/93/21/00/370932100.db2.gz LKIPZJUFNIARMM-KRWDZBQOSA-N 2 1 276.424 2.140 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000358162109 370932107 /nfs/dbraw/zinc/93/21/07/370932107.db2.gz LKIPZJUFNIARMM-KRWDZBQOSA-N 2 1 276.424 2.140 20 0 CEADMP CCC[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358124268 370914407 /nfs/dbraw/zinc/91/44/07/370914407.db2.gz XISGCHODGQGSHD-IRXDYDNUSA-N 2 1 276.424 2.227 20 0 CEADMP CCC[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358124268 370914412 /nfs/dbraw/zinc/91/44/12/370914412.db2.gz XISGCHODGQGSHD-IRXDYDNUSA-N 2 1 276.424 2.227 20 0 CEADMP CCC[C@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358124266 370914424 /nfs/dbraw/zinc/91/44/24/370914424.db2.gz XISGCHODGQGSHD-IAGOWNOFSA-N 2 1 276.424 2.227 20 0 CEADMP CCC[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358124266 370914429 /nfs/dbraw/zinc/91/44/29/370914429.db2.gz XISGCHODGQGSHD-IAGOWNOFSA-N 2 1 276.424 2.227 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000346673556 368762623 /nfs/dbraw/zinc/76/26/23/368762623.db2.gz IBWBTQPWVZRHQO-JSGCOSHPSA-N 2 1 278.396 2.263 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000346673554 368763014 /nfs/dbraw/zinc/76/30/14/368763014.db2.gz IBWBTQPWVZRHQO-GXTWGEPZSA-N 2 1 278.396 2.263 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc2c1NCC2 ZINC000346693353 368775903 /nfs/dbraw/zinc/77/59/03/368775903.db2.gz MLIHXRIQEQJRGV-OAHLLOKOSA-N 2 1 261.413 2.460 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1(C)C ZINC000185225549 368771787 /nfs/dbraw/zinc/77/17/87/368771787.db2.gz UIMODEDAXNZBIQ-CABCVRRESA-N 2 1 298.471 2.279 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000346690750 368773037 /nfs/dbraw/zinc/77/30/37/368773037.db2.gz UUEGBNQDFLNPDY-CQSZACIVSA-N 2 1 260.385 2.368 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000346692348 368774708 /nfs/dbraw/zinc/77/47/08/368774708.db2.gz YIFFYFSNCULNFE-NEPJUHHUSA-N 2 1 282.457 2.158 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000346692348 368774710 /nfs/dbraw/zinc/77/47/10/368774710.db2.gz YIFFYFSNCULNFE-NEPJUHHUSA-N 2 1 282.457 2.158 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346646124 368750154 /nfs/dbraw/zinc/75/01/54/368750154.db2.gz ACQYKTQFJRPHLO-BXUZGUMPSA-N 2 1 278.444 2.424 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346653447 368754861 /nfs/dbraw/zinc/75/48/61/368754861.db2.gz DOCOPBKLIGGFPR-XVMAMZMSSA-N 2 1 260.381 2.378 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000185424127 368805984 /nfs/dbraw/zinc/80/59/84/368805984.db2.gz FWVGYFFSUFUEOQ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC1(C)C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CCO1 ZINC000634680739 368810884 /nfs/dbraw/zinc/81/08/84/368810884.db2.gz ZWISGLBXYPDZDS-HNNXBMFYSA-N 2 1 296.455 2.179 20 0 CEADMP COCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665283 368838983 /nfs/dbraw/zinc/83/89/83/368838983.db2.gz HLXQQYWRAYMXRA-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000346694473 368777507 /nfs/dbraw/zinc/77/75/07/368777507.db2.gz UMFJKQPVUWGXQE-VXGBXAGGSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000346694473 368777514 /nfs/dbraw/zinc/77/75/14/368777514.db2.gz UMFJKQPVUWGXQE-VXGBXAGGSA-N 2 1 288.420 2.374 20 0 CEADMP OCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000347000852 368794745 /nfs/dbraw/zinc/79/47/45/368794745.db2.gz ZPVSAKNTCNSVIN-YJBOKZPZSA-N 2 1 288.435 2.358 20 0 CEADMP O[C@@]1(C[NH2+]CCCC2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634649842 368796253 /nfs/dbraw/zinc/79/62/53/368796253.db2.gz WDXWYRIKMVOZGD-GOSISDBHSA-N 2 1 288.435 2.403 20 0 CEADMP O[C@@]1(C[NH2+]CCCC2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649842 368796256 /nfs/dbraw/zinc/79/62/56/368796256.db2.gz WDXWYRIKMVOZGD-GOSISDBHSA-N 2 1 288.435 2.403 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000348099156 368896712 /nfs/dbraw/zinc/89/67/12/368896712.db2.gz CWZVMBYHRDMSDL-KGLIPLIRSA-N 2 1 256.434 2.369 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634733934 368846797 /nfs/dbraw/zinc/84/67/97/368846797.db2.gz SAXIRVZRTQZUAV-OAHLLOKOSA-N 3 1 267.461 2.229 20 0 CEADMP CC(C)NC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749006 368853346 /nfs/dbraw/zinc/85/33/46/368853346.db2.gz FHKGXTOFWXOJIH-HUUCEWRRSA-N 2 1 295.471 2.144 20 0 CEADMP CCCCNC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185756765 368855010 /nfs/dbraw/zinc/85/50/10/368855010.db2.gz XZRVRSATHNCECA-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP CCCCNC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185756765 368855019 /nfs/dbraw/zinc/85/50/19/368855019.db2.gz XZRVRSATHNCECA-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]1C[C@H](N(C)Cc2cc(O)cc(F)c2)CC[N@H+]1C ZINC000186241906 368944389 /nfs/dbraw/zinc/94/43/89/368944389.db2.gz QWXAZCREUZRFSB-BXUZGUMPSA-N 2 1 266.360 2.446 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992021 369019443 /nfs/dbraw/zinc/01/94/43/369019443.db2.gz ZVFBSLGWBQIIEK-UHFFFAOYSA-N 2 1 279.472 2.182 20 0 CEADMP C[C@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000634998472 369029387 /nfs/dbraw/zinc/02/93/87/369029387.db2.gz GBUPNXRDTXASPH-YRGRVCCFSA-N 2 1 250.361 2.456 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000634999417 369032950 /nfs/dbraw/zinc/03/29/50/369032950.db2.gz UMONSGPBWLZYOO-ZYHUDNBSSA-N 2 1 274.368 2.005 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000635000300 369035720 /nfs/dbraw/zinc/03/57/20/369035720.db2.gz LGWZUFSSCGZWIG-TZMCWYRMSA-N 2 1 278.396 2.121 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)nn1C ZINC000635003554 369040291 /nfs/dbraw/zinc/04/02/91/369040291.db2.gz AKJZTAQKQIFNNJ-GDBMZVCRSA-N 2 1 286.423 2.339 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccon2)C1 ZINC000634952607 368987039 /nfs/dbraw/zinc/98/70/39/368987039.db2.gz DOJQRSRCSKQSOE-CYBMUJFWSA-N 2 1 251.374 2.276 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H](C)C[C@@H](C)[NH3+])C2)cc1 ZINC000635012225 369050150 /nfs/dbraw/zinc/05/01/50/369050150.db2.gz JTNKKLMMVSEUEE-INMHGKMJSA-N 2 1 275.440 2.285 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H](C)C[C@@H](C)[NH3+])C2)cc1 ZINC000635012225 369050155 /nfs/dbraw/zinc/05/01/55/369050155.db2.gz JTNKKLMMVSEUEE-INMHGKMJSA-N 2 1 275.440 2.285 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000635012065 369050385 /nfs/dbraw/zinc/05/03/85/369050385.db2.gz IYGKFHKAYOYZJQ-SQNIBIBYSA-N 2 1 287.451 2.286 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H]3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000635012065 369050389 /nfs/dbraw/zinc/05/03/89/369050389.db2.gz IYGKFHKAYOYZJQ-SQNIBIBYSA-N 2 1 287.451 2.286 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348458602 369051198 /nfs/dbraw/zinc/05/11/98/369051198.db2.gz QVKJUIPAYRMHLP-RYUDHWBXSA-N 2 1 273.327 2.332 20 0 CEADMP C[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000635013198 369051572 /nfs/dbraw/zinc/05/15/72/369051572.db2.gz DDXCSTCHLONMRC-CORIIIEPSA-N 2 1 282.815 2.146 20 0 CEADMP Cc1nccn1CCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000348750234 369141252 /nfs/dbraw/zinc/14/12/52/369141252.db2.gz OTEVVGQFWVTWAG-UHFFFAOYSA-N 2 1 286.423 2.433 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000348750234 369141259 /nfs/dbraw/zinc/14/12/59/369141259.db2.gz OTEVVGQFWVTWAG-UHFFFAOYSA-N 3 1 286.423 2.433 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000348750234 369141265 /nfs/dbraw/zinc/14/12/65/369141265.db2.gz OTEVVGQFWVTWAG-UHFFFAOYSA-N 3 1 286.423 2.433 20 0 CEADMP Cc1nccn1CCC[N@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000348757914 369145044 /nfs/dbraw/zinc/14/50/44/369145044.db2.gz ZDXLMRNOKXAKKH-QZTJIDSGSA-N 2 1 298.434 2.256 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000348757914 369145048 /nfs/dbraw/zinc/14/50/48/369145048.db2.gz ZDXLMRNOKXAKKH-QZTJIDSGSA-N 3 1 298.434 2.256 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000348757914 369145053 /nfs/dbraw/zinc/14/50/53/369145053.db2.gz ZDXLMRNOKXAKKH-QZTJIDSGSA-N 3 1 298.434 2.256 20 0 CEADMP COCC(C)(C)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348869662 369186249 /nfs/dbraw/zinc/18/62/49/369186249.db2.gz OAGDQBMUTTZCAC-PBWFPOADSA-N 2 1 254.418 2.216 20 0 CEADMP COCC(C)(C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348869662 369186255 /nfs/dbraw/zinc/18/62/55/369186255.db2.gz OAGDQBMUTTZCAC-PBWFPOADSA-N 2 1 254.418 2.216 20 0 CEADMP COCC(C)(C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348869662 369186257 /nfs/dbraw/zinc/18/62/57/369186257.db2.gz OAGDQBMUTTZCAC-PBWFPOADSA-N 2 1 254.418 2.216 20 0 CEADMP CC(C)=CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000683202034 541773102 /nfs/dbraw/zinc/77/31/02/541773102.db2.gz GRNMDOQTCBQSLS-HNNXBMFYSA-N 2 1 252.402 2.186 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000635938858 369413632 /nfs/dbraw/zinc/41/36/32/369413632.db2.gz WAIBHQVUNKQODR-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635938858 369413636 /nfs/dbraw/zinc/41/36/36/369413636.db2.gz WAIBHQVUNKQODR-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635938858 369413639 /nfs/dbraw/zinc/41/36/39/369413639.db2.gz WAIBHQVUNKQODR-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(C)s1 ZINC000358250063 370971575 /nfs/dbraw/zinc/97/15/75/370971575.db2.gz KWTRNPMLZBXCBM-FZMZJTMJSA-N 2 1 268.426 2.082 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(C)s1 ZINC000358250063 370971582 /nfs/dbraw/zinc/97/15/82/370971582.db2.gz KWTRNPMLZBXCBM-FZMZJTMJSA-N 2 1 268.426 2.082 20 0 CEADMP C[C@H](CCC1CCCC1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358227246 370961459 /nfs/dbraw/zinc/96/14/59/370961459.db2.gz AWCKRFBXRPDYCJ-UKRRQHHQSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H](CCC1CCCC1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358227246 370961462 /nfs/dbraw/zinc/96/14/62/370961462.db2.gz AWCKRFBXRPDYCJ-UKRRQHHQSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc(Cl)cn1 ZINC000358272124 370985598 /nfs/dbraw/zinc/98/55/98/370985598.db2.gz ZNVGZVNDIVHYFW-DGCLKSJQSA-N 2 1 283.803 2.044 20 0 CEADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358257608 370977813 /nfs/dbraw/zinc/97/78/13/370977813.db2.gz SEFJJBZPZPQLOP-ZWKOTPCHSA-N 2 1 290.451 2.300 20 0 CEADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358257608 370977815 /nfs/dbraw/zinc/97/78/15/370977815.db2.gz SEFJJBZPZPQLOP-ZWKOTPCHSA-N 2 1 290.451 2.300 20 0 CEADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC000358264665 370981142 /nfs/dbraw/zinc/98/11/42/370981142.db2.gz YSVFXAOFQQZKFV-GJZGRUSLSA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC000358264665 370981146 /nfs/dbraw/zinc/98/11/46/370981146.db2.gz YSVFXAOFQQZKFV-GJZGRUSLSA-N 2 1 254.418 2.002 20 0 CEADMP CO[C@@](C)(C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C1CC1 ZINC000639104594 370981563 /nfs/dbraw/zinc/98/15/63/370981563.db2.gz POYVPAZWZAOILU-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP O=C(N[C@H]1CCC[N@H+](C2CCCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000168527228 284170931 /nfs/dbraw/zinc/17/09/31/284170931.db2.gz IBOAVVUSISVOEA-HOCLYGCPSA-N 2 1 293.455 2.042 20 0 CEADMP Cc1c[nH+]ccc1NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000191978487 369760264 /nfs/dbraw/zinc/76/02/64/369760264.db2.gz DLAXVCWFYIQXQO-KRWDZBQOSA-N 2 1 297.402 2.221 20 0 CEADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352510443 369766647 /nfs/dbraw/zinc/76/66/47/369766647.db2.gz NDKVXSOCFKBOKW-BZUAXINKSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352510443 369766653 /nfs/dbraw/zinc/76/66/53/369766653.db2.gz NDKVXSOCFKBOKW-BZUAXINKSA-N 2 1 295.471 2.227 20 0 CEADMP [NH3+]CCC[N@H+](Cc1cnc2cnccn12)CC1CCCC1 ZINC000352535309 369776587 /nfs/dbraw/zinc/77/65/87/369776587.db2.gz OYEBIYIOXCLPPO-UHFFFAOYSA-N 2 1 287.411 2.070 20 0 CEADMP CC(C)[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)(C)O ZINC000352708141 369848552 /nfs/dbraw/zinc/84/85/52/369848552.db2.gz VPOMMDZDKOENSY-ZDUSSCGKSA-N 2 1 285.457 2.090 20 0 CEADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC[NH+](C2CCC2)CC1 ZINC000352749444 369866844 /nfs/dbraw/zinc/86/68/44/369866844.db2.gz QOKIHUQZVVPVCJ-GUYCJALGSA-N 2 1 277.456 2.076 20 0 CEADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000352749444 369866847 /nfs/dbraw/zinc/86/68/47/369866847.db2.gz QOKIHUQZVVPVCJ-GUYCJALGSA-N 2 1 277.456 2.076 20 0 CEADMP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCOCC1 ZINC000352760348 369870758 /nfs/dbraw/zinc/87/07/58/369870758.db2.gz OTRRNBWGOCSJAW-CQSZACIVSA-N 2 1 297.468 2.500 20 0 CEADMP CC(C)CC[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352926563 369951810 /nfs/dbraw/zinc/95/18/10/369951810.db2.gz WCRAPDUIHMMBDZ-VFSICIBPSA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)CC[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352926563 369951813 /nfs/dbraw/zinc/95/18/13/369951813.db2.gz WCRAPDUIHMMBDZ-VFSICIBPSA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)CC[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352926563 369951818 /nfs/dbraw/zinc/95/18/18/369951818.db2.gz WCRAPDUIHMMBDZ-VFSICIBPSA-N 2 1 268.445 2.341 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000353994892 370169897 /nfs/dbraw/zinc/16/98/97/370169897.db2.gz DNMALISJSNPRDV-GOEBONIOSA-N 2 1 291.439 2.485 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000353994892 370169903 /nfs/dbraw/zinc/16/99/03/370169903.db2.gz DNMALISJSNPRDV-GOEBONIOSA-N 2 1 291.439 2.485 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@H]1C ZINC000353909435 370131494 /nfs/dbraw/zinc/13/14/94/370131494.db2.gz AUEIAZAPSWNIOW-SOUVJXGZSA-N 2 1 284.444 2.284 20 0 CEADMP Cc1ccc(O)c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000354107983 370219276 /nfs/dbraw/zinc/21/92/76/370219276.db2.gz SMOHWIBUMCMRII-HNNXBMFYSA-N 2 1 289.423 2.259 20 0 CEADMP Cc1ccc(O)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000354107983 370219280 /nfs/dbraw/zinc/21/92/80/370219280.db2.gz SMOHWIBUMCMRII-HNNXBMFYSA-N 2 1 289.423 2.259 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)n1 ZINC000354107983 370219284 /nfs/dbraw/zinc/21/92/84/370219284.db2.gz SMOHWIBUMCMRII-HNNXBMFYSA-N 2 1 289.423 2.259 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)n1 ZINC000354107983 370219288 /nfs/dbraw/zinc/21/92/88/370219288.db2.gz SMOHWIBUMCMRII-HNNXBMFYSA-N 2 1 289.423 2.259 20 0 CEADMP CCOC(=O)c1coc(CNC[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC000354146636 370232881 /nfs/dbraw/zinc/23/28/81/370232881.db2.gz PFKQDTCEQDKUFT-ZDUSSCGKSA-N 2 1 294.395 2.278 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000354158573 370237858 /nfs/dbraw/zinc/23/78/58/370237858.db2.gz BOLMKCHDRJTTFY-UQPPLGOBSA-N 2 1 296.455 2.430 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000221711537 370242956 /nfs/dbraw/zinc/24/29/56/370242956.db2.gz UPHQUGIOBQPBDK-HZPDHXFCSA-N 2 1 289.423 2.067 20 0 CEADMP C[N@@H+](CCC[C@@H]1CCO1)CC[C@@H]1CCCC[NH+]1C ZINC000638118832 370316172 /nfs/dbraw/zinc/31/61/72/370316172.db2.gz YKUMPPUMQKGLGU-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP C[NH+](CCC[C@@H]1CCO1)CC[C@@H]1CCCC[N@@H+]1C ZINC000638118832 370316178 /nfs/dbraw/zinc/31/61/78/370316178.db2.gz YKUMPPUMQKGLGU-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP C[NH+](CCC[C@@H]1CCO1)CC[C@@H]1CCCC[N@H+]1C ZINC000638118832 370316183 /nfs/dbraw/zinc/31/61/83/370316183.db2.gz YKUMPPUMQKGLGU-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP C[N@@H+](CCC[C@H]1CCO1)CC[C@@H]1CCCC[NH+]1C ZINC000638118830 370316538 /nfs/dbraw/zinc/31/65/38/370316538.db2.gz YKUMPPUMQKGLGU-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP C[NH+](CCC[C@H]1CCO1)CC[C@@H]1CCCC[N@@H+]1C ZINC000638118830 370316540 /nfs/dbraw/zinc/31/65/40/370316540.db2.gz YKUMPPUMQKGLGU-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP C[NH+](CCC[C@H]1CCO1)CC[C@@H]1CCCC[N@H+]1C ZINC000638118830 370316544 /nfs/dbraw/zinc/31/65/44/370316544.db2.gz YKUMPPUMQKGLGU-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@](C)(CC)OC)C1 ZINC000638128912 370323642 /nfs/dbraw/zinc/32/36/42/370323642.db2.gz ZKHSFUIALUKPGI-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@](C)(CC)OC)C1 ZINC000638128912 370323644 /nfs/dbraw/zinc/32/36/44/370323644.db2.gz ZKHSFUIALUKPGI-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@](C)(CC)OC)C1 ZINC000638128912 370323650 /nfs/dbraw/zinc/32/36/50/370323650.db2.gz ZKHSFUIALUKPGI-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC[C@H]2CCO2)C1 ZINC000638122561 370318411 /nfs/dbraw/zinc/31/84/11/370318411.db2.gz KPDUDHGSWNNJJI-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP C[N@@H+](CCCN[C@@H]1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000222883965 370258284 /nfs/dbraw/zinc/25/82/84/370258284.db2.gz SGIDENLHQQOGLZ-IAGOWNOFSA-N 2 1 275.440 2.368 20 0 CEADMP C[N@H+](CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000222883965 370258288 /nfs/dbraw/zinc/25/82/88/370258288.db2.gz SGIDENLHQQOGLZ-IAGOWNOFSA-N 3 1 275.440 2.368 20 0 CEADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000222883965 370258292 /nfs/dbraw/zinc/25/82/92/370258292.db2.gz SGIDENLHQQOGLZ-IAGOWNOFSA-N 3 1 275.440 2.368 20 0 CEADMP CCCCNC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354221020 370266175 /nfs/dbraw/zinc/26/61/75/370266175.db2.gz GGKTYQNVWMOSDC-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCCCNC(=O)CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354221020 370266181 /nfs/dbraw/zinc/26/61/81/370266181.db2.gz GGKTYQNVWMOSDC-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCCCNC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354221020 370266184 /nfs/dbraw/zinc/26/61/84/370266184.db2.gz GGKTYQNVWMOSDC-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@](C)(OC)C2CC2)[C@H](C)C1 ZINC000638112657 370309004 /nfs/dbraw/zinc/30/90/04/370309004.db2.gz JQBQMWCHNIFPDZ-KBMXLJTQSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1)OC ZINC000638116268 370313185 /nfs/dbraw/zinc/31/31/85/370313185.db2.gz JAVPWVLGCIEIHA-XQLPTFJDSA-N 2 1 256.434 2.462 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000638116268 370313188 /nfs/dbraw/zinc/31/31/88/370313188.db2.gz JAVPWVLGCIEIHA-XQLPTFJDSA-N 2 1 256.434 2.462 20 0 CEADMP CC[C@H](C)[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000638116268 370313193 /nfs/dbraw/zinc/31/31/93/370313193.db2.gz JAVPWVLGCIEIHA-XQLPTFJDSA-N 2 1 256.434 2.462 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000638116268 370313197 /nfs/dbraw/zinc/31/31/97/370313197.db2.gz JAVPWVLGCIEIHA-XQLPTFJDSA-N 2 1 256.434 2.462 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000638116268 370313200 /nfs/dbraw/zinc/31/32/00/370313200.db2.gz JAVPWVLGCIEIHA-XQLPTFJDSA-N 2 1 256.434 2.462 20 0 CEADMP C[N@@H+](CCCCCO)Cc1ccc(-n2ccnc2)cc1 ZINC000227117841 370361185 /nfs/dbraw/zinc/36/11/85/370361185.db2.gz XPPMPOIORBUAAS-UHFFFAOYSA-N 2 1 273.380 2.467 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)OC ZINC000638184652 370363826 /nfs/dbraw/zinc/36/38/26/370363826.db2.gz ZISVXJIWTVLRRA-SIRPWMCASA-N 2 1 298.471 2.231 20 0 CEADMP Cc1cccc2ncc(CN3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)n21 ZINC000354441429 370364601 /nfs/dbraw/zinc/36/46/01/370364601.db2.gz HKWKEZQHHGELBV-OKILXGFUSA-N 2 1 272.396 2.167 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCOCC1 ZINC000354347062 370326089 /nfs/dbraw/zinc/32/60/89/370326089.db2.gz JHCHYDZVTWLKBJ-OAHLLOKOSA-N 2 1 296.455 2.036 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@](C)(CC)OC)C1 ZINC000638134264 370328241 /nfs/dbraw/zinc/32/82/41/370328241.db2.gz NPOFDNVSXBMWMQ-HOTGVXAUSA-N 2 1 286.460 2.234 20 0 CEADMP CC[N@@H+]1CC[C@H](N(C)c2[nH+]cnc3[nH]ccc32)C[C@@H]1C ZINC000354355927 370329836 /nfs/dbraw/zinc/32/98/36/370329836.db2.gz YKNWBFWWLOIJAH-RYUDHWBXSA-N 2 1 273.384 2.267 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)c2[nH+]cnc3[nH]ccc32)C[C@@H]1C ZINC000354355927 370329840 /nfs/dbraw/zinc/32/98/40/370329840.db2.gz YKNWBFWWLOIJAH-RYUDHWBXSA-N 2 1 273.384 2.267 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228544873 370406274 /nfs/dbraw/zinc/40/62/74/370406274.db2.gz CLDYRHCQKVBEPV-ARFHVFGLSA-N 2 1 288.391 2.032 20 0 CEADMP CC[C@@](C)(C[NH2+]C[C@H](C)Cn1cc[nH+]c1C)OC ZINC000638334663 370452085 /nfs/dbraw/zinc/45/20/85/370452085.db2.gz DPUWEFUDSCCISO-JSGCOSHPSA-N 2 1 253.390 2.232 20 0 CEADMP CC[C@](C)(C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C)OC ZINC000638334667 370452338 /nfs/dbraw/zinc/45/23/38/370452338.db2.gz DPUWEFUDSCCISO-TZMCWYRMSA-N 2 1 253.390 2.232 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CCCc1cnn(C)c1 ZINC000638412737 370511542 /nfs/dbraw/zinc/51/15/42/370511542.db2.gz KXTMDNCWNNGTAC-CABCVRRESA-N 2 1 278.444 2.063 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CCCc1cnn(C)c1 ZINC000638412737 370511549 /nfs/dbraw/zinc/51/15/49/370511549.db2.gz KXTMDNCWNNGTAC-CABCVRRESA-N 2 1 278.444 2.063 20 0 CEADMP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000638413332 370512631 /nfs/dbraw/zinc/51/26/31/370512631.db2.gz TVAUXXZCWYAVPI-FXUDXRNXSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000638413332 370512634 /nfs/dbraw/zinc/51/26/34/370512634.db2.gz TVAUXXZCWYAVPI-FXUDXRNXSA-N 2 1 295.471 2.144 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000355124638 370513451 /nfs/dbraw/zinc/51/34/51/370513451.db2.gz RBDRILWAKYXYES-JTQLQIEISA-N 2 1 276.409 2.488 20 0 CEADMP CCC(CC)[C@@H](C[NH2+]C1CCC(O)CC1)[NH+](C)C ZINC000232883937 370514549 /nfs/dbraw/zinc/51/45/49/370514549.db2.gz YLVGWRRAXRBFDY-YMAMQOFZSA-N 2 1 256.434 2.246 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000355333598 370552841 /nfs/dbraw/zinc/55/28/41/370552841.db2.gz MYGWVSHJBZEFAD-ZDUSSCGKSA-N 2 1 293.386 2.038 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000638502375 370575713 /nfs/dbraw/zinc/57/57/13/370575713.db2.gz BGFRYNCZARNMJO-ZIAGYGMSSA-N 2 1 279.428 2.341 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000638502375 370575719 /nfs/dbraw/zinc/57/57/19/370575719.db2.gz BGFRYNCZARNMJO-ZIAGYGMSSA-N 2 1 279.428 2.341 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638589088 370622098 /nfs/dbraw/zinc/62/20/98/370622098.db2.gz QTIXHMGBRQUFGB-OWCLPIDISA-N 2 1 295.471 2.288 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638589088 370622101 /nfs/dbraw/zinc/62/21/01/370622101.db2.gz QTIXHMGBRQUFGB-OWCLPIDISA-N 2 1 295.471 2.288 20 0 CEADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CCCc1cnn(C)c1 ZINC000638589787 370624261 /nfs/dbraw/zinc/62/42/61/370624261.db2.gz YPEBSQDUJDHWTC-INIZCTEOSA-N 2 1 278.444 2.207 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]CCCc1cnn(C)c1 ZINC000638589787 370624267 /nfs/dbraw/zinc/62/42/67/370624267.db2.gz YPEBSQDUJDHWTC-INIZCTEOSA-N 2 1 278.444 2.207 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]CC2CCSCC2)CCCO1 ZINC000639117356 370993308 /nfs/dbraw/zinc/99/33/08/370993308.db2.gz HNRUYWIPRFVLAB-AWEZNQCLSA-N 2 1 286.485 2.220 20 0 CEADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247014955 371047183 /nfs/dbraw/zinc/04/71/83/371047183.db2.gz KNFXVGIUYOBVAM-HUBLWGQQSA-N 2 1 278.444 2.040 20 0 CEADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247014955 371047189 /nfs/dbraw/zinc/04/71/89/371047189.db2.gz KNFXVGIUYOBVAM-HUBLWGQQSA-N 2 1 278.444 2.040 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)[C@@H](C)C1 ZINC000247021269 371048451 /nfs/dbraw/zinc/04/84/51/371048451.db2.gz LTFLUEJLSPQZJF-LRDDRELGSA-N 2 1 280.387 2.138 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)[C@@H](C)C1 ZINC000247021269 371048456 /nfs/dbraw/zinc/04/84/56/371048456.db2.gz LTFLUEJLSPQZJF-LRDDRELGSA-N 2 1 280.387 2.138 20 0 CEADMP COc1cncc(C[N@H+](C)CCCn2cc[nH+]c2C)c1C ZINC000639175253 371049659 /nfs/dbraw/zinc/04/96/59/371049659.db2.gz KFKUCRKICGXKKD-UHFFFAOYSA-N 2 1 288.395 2.426 20 0 CEADMP COc1cncc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1C ZINC000639175253 371049669 /nfs/dbraw/zinc/04/96/69/371049669.db2.gz KFKUCRKICGXKKD-UHFFFAOYSA-N 2 1 288.395 2.426 20 0 CEADMP COC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000246813558 371015240 /nfs/dbraw/zinc/01/52/40/371015240.db2.gz AUZJBLTVGDJVPJ-CABCVRRESA-N 2 1 292.423 2.032 20 0 CEADMP COC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000246813558 371015245 /nfs/dbraw/zinc/01/52/45/371015245.db2.gz AUZJBLTVGDJVPJ-CABCVRRESA-N 2 1 292.423 2.032 20 0 CEADMP FC(F)(F)CSCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358332170 371018313 /nfs/dbraw/zinc/01/83/13/371018313.db2.gz UOVCHBUIQBFDCW-QWRGUYRKSA-N 2 1 282.375 2.498 20 0 CEADMP CCn1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000246841954 371019780 /nfs/dbraw/zinc/01/97/80/371019780.db2.gz BQZGKWCVEAWDOV-NWANDNLSSA-N 2 1 264.417 2.426 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)CC[N@@H+]1C ZINC000246861624 371021893 /nfs/dbraw/zinc/02/18/93/371021893.db2.gz CMZSIIDDYGWBBB-QMIVOQANSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)CC[N@H+]1C ZINC000246861624 371021897 /nfs/dbraw/zinc/02/18/97/371021897.db2.gz CMZSIIDDYGWBBB-QMIVOQANSA-N 2 1 252.402 2.016 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000246880711 371026154 /nfs/dbraw/zinc/02/61/54/371026154.db2.gz IMUJLIWJBZSHAG-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(CO)cc3)C2)CC1 ZINC000639176965 371053738 /nfs/dbraw/zinc/05/37/38/371053738.db2.gz NGZVPBJGQICYHI-SFHVURJKSA-N 2 1 288.435 2.343 20 0 CEADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccns2)C1 ZINC000639179477 371060323 /nfs/dbraw/zinc/06/03/23/371060323.db2.gz SYZBBCGTFOEPGW-YPMHNXCESA-N 2 1 251.399 2.059 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccns2)C1 ZINC000639179477 371060325 /nfs/dbraw/zinc/06/03/25/371060325.db2.gz SYZBBCGTFOEPGW-YPMHNXCESA-N 2 1 251.399 2.059 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccns2)C1 ZINC000639179477 371060329 /nfs/dbraw/zinc/06/03/29/371060329.db2.gz SYZBBCGTFOEPGW-YPMHNXCESA-N 2 1 251.399 2.059 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccns2)C1 ZINC000639179477 371060332 /nfs/dbraw/zinc/06/03/32/371060332.db2.gz SYZBBCGTFOEPGW-YPMHNXCESA-N 2 1 251.399 2.059 20 0 CEADMP C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000247101366 371064770 /nfs/dbraw/zinc/06/47/70/371064770.db2.gz SHOCRGKGZLDZNQ-QBPKDAKJSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCC(C)CC1 ZINC000247101366 371064774 /nfs/dbraw/zinc/06/47/74/371064774.db2.gz SHOCRGKGZLDZNQ-QBPKDAKJSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCC(C)CC1 ZINC000247101366 371064781 /nfs/dbraw/zinc/06/47/81/371064781.db2.gz SHOCRGKGZLDZNQ-QBPKDAKJSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)CC[N@@H+]1C ZINC000639247905 371145624 /nfs/dbraw/zinc/14/56/24/371145624.db2.gz AGLCIVAESYKCES-KLZNWCGWSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)CC[N@H+]1C ZINC000639247905 371145630 /nfs/dbraw/zinc/14/56/30/371145630.db2.gz AGLCIVAESYKCES-KLZNWCGWSA-N 2 1 289.423 2.374 20 0 CEADMP Cc1ccc([C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248031025 371156696 /nfs/dbraw/zinc/15/66/96/371156696.db2.gz QJEYPZSJMKBPAO-OKZBNKHCSA-N 2 1 288.435 2.445 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248031025 371156703 /nfs/dbraw/zinc/15/67/03/371156703.db2.gz QJEYPZSJMKBPAO-OKZBNKHCSA-N 2 1 288.435 2.445 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248031025 371156708 /nfs/dbraw/zinc/15/67/08/371156708.db2.gz QJEYPZSJMKBPAO-OKZBNKHCSA-N 2 1 288.435 2.445 20 0 CEADMP Oc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000683722349 541848985 /nfs/dbraw/zinc/84/89/85/541848985.db2.gz FSTVGUGCURIENL-YESZJQIVSA-N 2 1 286.419 2.466 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC[N@@H+]1C ZINC000639264383 371164851 /nfs/dbraw/zinc/16/48/51/371164851.db2.gz DLPZCHPGUNUREI-RLIYEPBISA-N 2 1 292.467 2.246 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000639264383 371164853 /nfs/dbraw/zinc/16/48/53/371164853.db2.gz DLPZCHPGUNUREI-RLIYEPBISA-N 2 1 292.467 2.246 20 0 CEADMP Cc1nc(C)c(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000248154165 371165550 /nfs/dbraw/zinc/16/55/50/371165550.db2.gz RDCKIWBAYBGZMT-GWCFXTLKSA-N 2 1 267.442 2.375 20 0 CEADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000248436704 371195434 /nfs/dbraw/zinc/19/54/34/371195434.db2.gz GLNRUXOJMHGCTM-SUMWQHHRSA-N 2 1 274.408 2.141 20 0 CEADMP Cn1cc(CCC[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000639320185 371227133 /nfs/dbraw/zinc/22/71/33/371227133.db2.gz JJQOSQYSLMRSCZ-INIZCTEOSA-N 2 1 290.455 2.349 20 0 CEADMP Cn1cc(CCC[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000639320185 371227137 /nfs/dbraw/zinc/22/71/37/371227137.db2.gz JJQOSQYSLMRSCZ-INIZCTEOSA-N 2 1 290.455 2.349 20 0 CEADMP CC(C)[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000358743564 371201579 /nfs/dbraw/zinc/20/15/79/371201579.db2.gz VOBNWQLYPMYSEM-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[C@H](C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000358743564 371201583 /nfs/dbraw/zinc/20/15/83/371201583.db2.gz VOBNWQLYPMYSEM-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000639305716 371211722 /nfs/dbraw/zinc/21/17/22/371211722.db2.gz WATSQZWYNNDMAS-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000639305716 371211723 /nfs/dbraw/zinc/21/17/23/371211723.db2.gz WATSQZWYNNDMAS-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP CO[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)CC(C)C ZINC000639347092 371259316 /nfs/dbraw/zinc/25/93/16/371259316.db2.gz MQQCTLAWHGYWFC-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP CO[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)CC(C)C ZINC000639347094 371260161 /nfs/dbraw/zinc/26/01/61/371260161.db2.gz MQQCTLAWHGYWFC-HUUCEWRRSA-N 2 1 256.434 2.369 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC(C)(C)C1 ZINC000639393303 371305463 /nfs/dbraw/zinc/30/54/63/371305463.db2.gz IKCMTZVHANQEFH-UHFFFAOYSA-N 2 1 256.353 2.418 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C2CCCCC2)CC[N@H+]1C ZINC000249336820 371315032 /nfs/dbraw/zinc/31/50/32/371315032.db2.gz CVLZMOKNKWBASZ-VNQPRFMTSA-N 2 1 268.445 2.390 20 0 CEADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1nccn1C(F)F ZINC000359230919 371386219 /nfs/dbraw/zinc/38/62/19/371386219.db2.gz ZJIJVFUKCLTFCA-UHFFFAOYSA-N 2 1 272.343 2.100 20 0 CEADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1nccn1C(F)F ZINC000359230919 371386225 /nfs/dbraw/zinc/38/62/25/371386225.db2.gz ZJIJVFUKCLTFCA-UHFFFAOYSA-N 2 1 272.343 2.100 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(C)(C)CO2)[C@@H](C)C1 ZINC000639533739 371390261 /nfs/dbraw/zinc/39/02/61/371390261.db2.gz QEHFHUKDVGMIQI-KKUMJFAQSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC(C)(C)CO2)[C@@H](C)C1 ZINC000639533739 371390264 /nfs/dbraw/zinc/39/02/64/371390264.db2.gz QEHFHUKDVGMIQI-KKUMJFAQSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC(C)(C)CO2)[C@@H](C)C1 ZINC000639533739 371390266 /nfs/dbraw/zinc/39/02/66/371390266.db2.gz QEHFHUKDVGMIQI-KKUMJFAQSA-N 2 1 268.445 2.464 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)s1 ZINC000250842428 371392676 /nfs/dbraw/zinc/39/26/76/371392676.db2.gz WGPMCLXKJHLZGJ-GBIKHYSHSA-N 2 1 253.415 2.270 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)s1 ZINC000250842428 371392679 /nfs/dbraw/zinc/39/26/79/371392679.db2.gz WGPMCLXKJHLZGJ-GBIKHYSHSA-N 2 1 253.415 2.270 20 0 CEADMP OC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCCC1 ZINC000250870109 371393434 /nfs/dbraw/zinc/39/34/34/371393434.db2.gz SGYDYBASKRNCMI-GJZGRUSLSA-N 2 1 266.429 2.288 20 0 CEADMP O=c1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc[nH]1 ZINC000639543394 371394218 /nfs/dbraw/zinc/39/42/18/371394218.db2.gz FRBIAPUVTJIPQR-GOEBONIOSA-N 2 1 287.407 2.236 20 0 CEADMP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N(C)C ZINC000251376430 371400404 /nfs/dbraw/zinc/40/04/04/371400404.db2.gz GXEBZIXNJNTQMH-YYIAUSFCSA-N 2 1 281.488 2.473 20 0 CEADMP COC[C@@H](C)C[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000249962468 371373026 /nfs/dbraw/zinc/37/30/26/371373026.db2.gz WMSLNXKKLWIDEX-KGLIPLIRSA-N 2 1 256.434 2.369 20 0 CEADMP COC[C@@H](C)C[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000249962468 371373031 /nfs/dbraw/zinc/37/30/31/371373031.db2.gz WMSLNXKKLWIDEX-KGLIPLIRSA-N 2 1 256.434 2.369 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc[nH]c(=O)c2)C[C@@H]1C ZINC000639509995 371373115 /nfs/dbraw/zinc/37/31/15/371373115.db2.gz RYZGGUUZEGVAHK-JSGCOSHPSA-N 2 1 263.385 2.092 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc[nH]c(=O)c2)C[C@@H]1C ZINC000639509995 371373117 /nfs/dbraw/zinc/37/31/17/371373117.db2.gz RYZGGUUZEGVAHK-JSGCOSHPSA-N 2 1 263.385 2.092 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc[nH]c(=O)c2)C[C@@H]1C ZINC000639509995 371373120 /nfs/dbraw/zinc/37/31/20/371373120.db2.gz RYZGGUUZEGVAHK-JSGCOSHPSA-N 2 1 263.385 2.092 20 0 CEADMP c1ccc(NC[C@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)nc1 ZINC000359225417 371385008 /nfs/dbraw/zinc/38/50/08/371385008.db2.gz TWMBMNNCLCTRTL-MRXNPFEDSA-N 2 1 288.439 2.205 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252651678 371462561 /nfs/dbraw/zinc/46/25/61/371462561.db2.gz XDBPMMJXNYEEEU-GJZGRUSLSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252651678 371462563 /nfs/dbraw/zinc/46/25/63/371462563.db2.gz XDBPMMJXNYEEEU-GJZGRUSLSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1ncc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000252672686 371466448 /nfs/dbraw/zinc/46/64/48/371466448.db2.gz CCRBKEXTTUJEOJ-RYUDHWBXSA-N 2 1 251.399 2.168 20 0 CEADMP Cc1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000252672686 371466451 /nfs/dbraw/zinc/46/64/51/371466451.db2.gz CCRBKEXTTUJEOJ-RYUDHWBXSA-N 2 1 251.399 2.168 20 0 CEADMP Cc1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000252672686 371466455 /nfs/dbraw/zinc/46/64/55/371466455.db2.gz CCRBKEXTTUJEOJ-RYUDHWBXSA-N 2 1 251.399 2.168 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698574 371469526 /nfs/dbraw/zinc/46/95/26/371469526.db2.gz NUCHYSUYJFMHER-HUUCEWRRSA-N 2 1 283.460 2.084 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698574 371469531 /nfs/dbraw/zinc/46/95/31/371469531.db2.gz NUCHYSUYJFMHER-HUUCEWRRSA-N 2 1 283.460 2.084 20 0 CEADMP CC[N@H+]1C[C@H](N[C@H](Cc2ccccc2)C[NH+](C)C)[C@@H](C)C1 ZINC000360141847 371507352 /nfs/dbraw/zinc/50/73/52/371507352.db2.gz URTVKZIBBAHDNX-JQHSSLGASA-N 2 1 289.467 2.089 20 0 CEADMP CC[N@@H+]1C[C@H](N[C@H](Cc2ccccc2)C[NH+](C)C)[C@@H](C)C1 ZINC000360141847 371507354 /nfs/dbraw/zinc/50/73/54/371507354.db2.gz URTVKZIBBAHDNX-JQHSSLGASA-N 2 1 289.467 2.089 20 0 CEADMP Cc1noc(C)c1CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756662 371546926 /nfs/dbraw/zinc/54/69/26/371546926.db2.gz BCVJYWNQYPQMGS-UHFFFAOYSA-N 2 1 277.412 2.252 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCOC(C)(C)C)C2)CC1 ZINC000639758852 371548923 /nfs/dbraw/zinc/54/89/23/371548923.db2.gz XGBZTQHNDAHKDS-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759619 371548996 /nfs/dbraw/zinc/54/89/96/371548996.db2.gz DXJNQXQVVLTNJE-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1C ZINC000639762152 371550043 /nfs/dbraw/zinc/55/00/43/371550043.db2.gz HAXCIFYJBHNFJR-QGZVFWFLSA-N 2 1 276.424 2.192 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1C ZINC000639762152 371550050 /nfs/dbraw/zinc/55/00/50/371550050.db2.gz HAXCIFYJBHNFJR-QGZVFWFLSA-N 2 1 276.424 2.192 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000359940808 371494592 /nfs/dbraw/zinc/49/45/92/371494592.db2.gz IKLHWGJGNNVYNH-FPCVCCKLSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000359940808 371494593 /nfs/dbraw/zinc/49/45/93/371494593.db2.gz IKLHWGJGNNVYNH-FPCVCCKLSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000359940808 371494596 /nfs/dbraw/zinc/49/45/96/371494596.db2.gz IKLHWGJGNNVYNH-FPCVCCKLSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000359972299 371495828 /nfs/dbraw/zinc/49/58/28/371495828.db2.gz VRQHIXKWQZEFDM-INMHGKMJSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000359972299 371495831 /nfs/dbraw/zinc/49/58/31/371495831.db2.gz VRQHIXKWQZEFDM-INMHGKMJSA-N 2 1 279.472 2.323 20 0 CEADMP Cc1cc(C)c(C[N@@H+](CCOCCO)C2CCC2)c(C)n1 ZINC000639783533 371566536 /nfs/dbraw/zinc/56/65/36/371566536.db2.gz DVLLBHPZRJJGID-UHFFFAOYSA-N 2 1 292.423 2.370 20 0 CEADMP Cc1nc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cs1 ZINC000361003202 371592328 /nfs/dbraw/zinc/59/23/28/371592328.db2.gz NPSMGOFRCMXVCW-JSGCOSHPSA-N 2 1 297.468 2.339 20 0 CEADMP CCn1nc(C)c(C[N@@H+](C)CCn2ccnc2C)c1C ZINC000639923844 371670495 /nfs/dbraw/zinc/67/04/95/371670495.db2.gz ZCIVQOHDLSNEIO-UHFFFAOYSA-N 2 1 275.400 2.157 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000261603655 371673506 /nfs/dbraw/zinc/67/35/06/371673506.db2.gz QWAFHYUTWYNLDI-AWEZNQCLSA-N 2 1 270.323 2.459 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000259225053 371625138 /nfs/dbraw/zinc/62/51/38/371625138.db2.gz XSMXVDKJBUQXMC-RKDXNWHRSA-N 2 1 275.215 2.480 20 0 CEADMP CN(C[C@@]1(C)CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261547065 371641864 /nfs/dbraw/zinc/64/18/64/371641864.db2.gz LSIIXEFFHWJJEN-MSOLQXFVSA-N 2 1 287.451 2.192 20 0 CEADMP COc1cccc([C@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261575321 371657893 /nfs/dbraw/zinc/65/78/93/371657893.db2.gz BLPKGIUSKTZPJW-XJKSGUPXSA-N 2 1 260.381 2.442 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261585405 371662142 /nfs/dbraw/zinc/66/21/42/371662142.db2.gz IKLZOJSQXXBIMX-ZBFHGGJFSA-N 2 1 260.381 2.269 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261585405 371662147 /nfs/dbraw/zinc/66/21/47/371662147.db2.gz IKLZOJSQXXBIMX-ZBFHGGJFSA-N 2 1 260.381 2.269 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC2(CCSCC2)CC1)C1CC1 ZINC000639982900 371710976 /nfs/dbraw/zinc/71/09/76/371710976.db2.gz KXSDVDCONUFEPG-OAHLLOKOSA-N 2 1 298.496 2.051 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC2(CCSCC2)CC1)C1CC1 ZINC000639982900 371710985 /nfs/dbraw/zinc/71/09/85/371710985.db2.gz KXSDVDCONUFEPG-OAHLLOKOSA-N 2 1 298.496 2.051 20 0 CEADMP CCC[C@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984507 371713018 /nfs/dbraw/zinc/71/30/18/371713018.db2.gz WRTXSDPISOGOAU-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)COC(C)C)CC1 ZINC000639988643 371717691 /nfs/dbraw/zinc/71/76/91/371717691.db2.gz WIHSXRQPHMGFPW-INIZCTEOSA-N 2 1 298.471 2.113 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000361216630 371719480 /nfs/dbraw/zinc/71/94/80/371719480.db2.gz NNLPLHUJRUFOJF-FPCVCCKLSA-N 2 1 267.461 2.179 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000361237689 371732040 /nfs/dbraw/zinc/73/20/40/371732040.db2.gz PYIIGMPASAVILU-ZIAGYGMSSA-N 2 1 265.401 2.373 20 0 CEADMP COc1cccc([C@H](C)[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261647576 371690385 /nfs/dbraw/zinc/69/03/85/371690385.db2.gz XSJOOPPIZYDWLC-DUVNUKRYSA-N 2 1 260.381 2.440 20 0 CEADMP COc1cccc([C@H](C)[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261647576 371690389 /nfs/dbraw/zinc/69/03/89/371690389.db2.gz XSJOOPPIZYDWLC-DUVNUKRYSA-N 2 1 260.381 2.440 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000361173334 371697380 /nfs/dbraw/zinc/69/73/80/371697380.db2.gz FXVZKHITELFQSO-VYDXJSESSA-N 2 1 273.424 2.195 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000361173334 371697384 /nfs/dbraw/zinc/69/73/84/371697384.db2.gz FXVZKHITELFQSO-VYDXJSESSA-N 2 1 273.424 2.195 20 0 CEADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000261669481 371697972 /nfs/dbraw/zinc/69/79/72/371697972.db2.gz FUCBQNDGOINFKS-WBVHZDCISA-N 2 1 273.424 2.036 20 0 CEADMP Cc1ncc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)n1-c1ccccc1 ZINC000261833488 371746514 /nfs/dbraw/zinc/74/65/14/371746514.db2.gz YZSMSBOOAOYCOZ-QGZVFWFLSA-N 2 1 284.407 2.351 20 0 CEADMP Cc1ncc(C[N@H+]2CC[C@](C)(C[NH3+])C2)n1-c1ccccc1 ZINC000261833488 371746520 /nfs/dbraw/zinc/74/65/20/371746520.db2.gz YZSMSBOOAOYCOZ-QGZVFWFLSA-N 2 1 284.407 2.351 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCO[C@@H]3CCCCO3)CC[C@@H]21 ZINC000361265938 371750008 /nfs/dbraw/zinc/75/00/08/371750008.db2.gz LRKFNABQOPNBTG-IXDOHACOSA-N 2 1 296.455 2.336 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCO[C@@H]3CCCCO3)CC[C@@H]21 ZINC000361265938 371750014 /nfs/dbraw/zinc/75/00/14/371750014.db2.gz LRKFNABQOPNBTG-IXDOHACOSA-N 2 1 296.455 2.336 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCO[C@@H]3CCCCO3)CC[C@@H]21 ZINC000361265938 371750021 /nfs/dbraw/zinc/75/00/21/371750021.db2.gz LRKFNABQOPNBTG-IXDOHACOSA-N 2 1 296.455 2.336 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000261870504 371755165 /nfs/dbraw/zinc/75/51/65/371755165.db2.gz QPXWIDDMRMHVPB-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000261870500 371755415 /nfs/dbraw/zinc/75/54/15/371755415.db2.gz QPXWIDDMRMHVPB-GJZGRUSLSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261992867 371792421 /nfs/dbraw/zinc/79/24/21/371792421.db2.gz KLCBVQXFSBLVGH-QGZVFWFLSA-N 2 1 290.455 2.440 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261992867 371792428 /nfs/dbraw/zinc/79/24/28/371792428.db2.gz KLCBVQXFSBLVGH-QGZVFWFLSA-N 2 1 290.455 2.440 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)CCC(C)C)[C@@H](C)C1 ZINC000361321668 371780193 /nfs/dbraw/zinc/78/01/93/371780193.db2.gz PLCFCBQXXKTKDP-JYJNAYRXSA-N 2 1 270.461 2.446 20 0 CEADMP CCC[C@@]1(COC)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261954885 371784733 /nfs/dbraw/zinc/78/47/33/371784733.db2.gz OLMDQHYFCAYGOG-HNNXBMFYSA-N 2 1 254.418 2.267 20 0 CEADMP C[NH2+]CCC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000262026717 371803938 /nfs/dbraw/zinc/80/39/38/371803938.db2.gz ZPCMRNAPBUYSLP-NSHDSACASA-N 2 1 278.400 2.330 20 0 CEADMP CCC1CCC([N@@H+](CCO)CC2CC[NH2+]CC2)CC1 ZINC000262051657 371812734 /nfs/dbraw/zinc/81/27/34/371812734.db2.gz ZQQDCQNPUGNMOH-UHFFFAOYSA-N 2 1 268.445 2.249 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1F ZINC000262054171 371812936 /nfs/dbraw/zinc/81/29/36/371812936.db2.gz ZZKKQNPORXDMIX-DGCLKSJQSA-N 2 1 266.360 2.394 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1F ZINC000262054171 371812945 /nfs/dbraw/zinc/81/29/45/371812945.db2.gz ZZKKQNPORXDMIX-DGCLKSJQSA-N 2 1 266.360 2.394 20 0 CEADMP O[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@@H]2CCCC[C@H]12 ZINC000640102838 371816337 /nfs/dbraw/zinc/81/63/37/371816337.db2.gz VDFLKQGGXWGAEU-GVDBMIGSSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000262082632 371819533 /nfs/dbraw/zinc/81/95/33/371819533.db2.gz TZOJCHHFRBUJED-IRXDYDNUSA-N 2 1 258.409 2.475 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC000361427981 371844536 /nfs/dbraw/zinc/84/45/36/371844536.db2.gz XCEGTUHPAOOYPV-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CC[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@]2(CCOC2)O1 ZINC000361509796 371886214 /nfs/dbraw/zinc/88/62/14/371886214.db2.gz XAMFMKIBXFHJBU-ZACQAIPSSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@]2(CCOC2)O1 ZINC000361509796 371886221 /nfs/dbraw/zinc/88/62/21/371886221.db2.gz XAMFMKIBXFHJBU-ZACQAIPSSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@]2(CCOC2)O1 ZINC000361509796 371886225 /nfs/dbraw/zinc/88/62/25/371886225.db2.gz XAMFMKIBXFHJBU-ZACQAIPSSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@]2(CCOC2)O1 ZINC000361509796 371886230 /nfs/dbraw/zinc/88/62/30/371886230.db2.gz XAMFMKIBXFHJBU-ZACQAIPSSA-N 2 1 296.455 2.131 20 0 CEADMP COC1(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CCCC1 ZINC000361499383 371880723 /nfs/dbraw/zinc/88/07/23/371880723.db2.gz YWSLGYNHAKAVOS-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP COC1(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)CCCC1 ZINC000361499383 371880731 /nfs/dbraw/zinc/88/07/31/371880731.db2.gz YWSLGYNHAKAVOS-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP COC1(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CCCC1 ZINC000361499383 371880737 /nfs/dbraw/zinc/88/07/37/371880737.db2.gz YWSLGYNHAKAVOS-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361578911 371943474 /nfs/dbraw/zinc/94/34/74/371943474.db2.gz ASQNGNZHFRGVAM-RDJZCZTQSA-N 2 1 276.424 2.258 20 0 CEADMP CC(C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361578911 371943484 /nfs/dbraw/zinc/94/34/84/371943484.db2.gz ASQNGNZHFRGVAM-RDJZCZTQSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H](O)C[N@@H+](CC1CC[NH2+]CC1)C1CCCCC1 ZINC000178971852 296179373 /nfs/dbraw/zinc/17/93/73/296179373.db2.gz BONYDRBTUTWQMZ-CYBMUJFWSA-N 2 1 254.418 2.002 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000344123079 217061501 /nfs/dbraw/zinc/06/15/01/217061501.db2.gz IIUNLPWMNMWKMZ-KBPBESRZSA-N 2 1 263.385 2.053 20 0 CEADMP c1cc2c(nc[nH+]c2N2CCC([NH+]3CCCCC3)CC2)[nH]1 ZINC000263815648 371950860 /nfs/dbraw/zinc/95/08/60/371950860.db2.gz VWHRISCYPSKLLQ-UHFFFAOYSA-N 2 1 285.395 2.413 20 0 CEADMP CC(C)CNC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530733 372022373 /nfs/dbraw/zinc/02/23/73/372022373.db2.gz HNFGWYBNOYHCIE-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP CCC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000361685104 372023594 /nfs/dbraw/zinc/02/35/94/372023594.db2.gz CEXSXOQEURQNTI-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@@H+](CC[C@@H](C)F)CCN1CC[NH+](CC)CC1 ZINC000344162095 217081987 /nfs/dbraw/zinc/08/19/87/217081987.db2.gz YSGYLMIEFJQLBY-OAHLLOKOSA-N 2 1 273.440 2.084 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000361876792 372111332 /nfs/dbraw/zinc/11/13/32/372111332.db2.gz GUTJRPXFMXGKDZ-CRAIPNDOSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000361876792 372111336 /nfs/dbraw/zinc/11/13/36/372111336.db2.gz GUTJRPXFMXGKDZ-CRAIPNDOSA-N 2 1 288.435 2.402 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1Cn1cccn1 ZINC000361954876 372143403 /nfs/dbraw/zinc/14/34/03/372143403.db2.gz HWKGVFSLQLOKDB-JKSUJKDBSA-N 2 1 276.428 2.222 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(C)cc2)[C@H](C)C1 ZINC000268814372 372235466 /nfs/dbraw/zinc/23/54/66/372235466.db2.gz VGSPWQOGBNNBON-PVAVHDDUSA-N 2 1 276.424 2.348 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1ccnc1 ZINC000268733264 372200616 /nfs/dbraw/zinc/20/06/16/372200616.db2.gz OZYGOZPXAJXULX-AEFFLSMTSA-N 2 1 298.434 2.383 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1ccnc1 ZINC000268733264 372200629 /nfs/dbraw/zinc/20/06/29/372200629.db2.gz OZYGOZPXAJXULX-AEFFLSMTSA-N 2 1 298.434 2.383 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[NH3+])cc2)C1 ZINC000237553468 189881546 /nfs/dbraw/zinc/88/15/46/189881546.db2.gz VWAAEOQIPZWMDD-CYBMUJFWSA-N 2 1 275.396 2.206 20 0 CEADMP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000268828846 372245151 /nfs/dbraw/zinc/24/51/51/372245151.db2.gz ZXXXNTYEGJMWBD-NWDGAFQWSA-N 2 1 274.368 2.089 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000362179866 372258911 /nfs/dbraw/zinc/25/89/11/372258911.db2.gz OPTPIKCGQHTPAP-GJZGRUSLSA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000362179866 372258917 /nfs/dbraw/zinc/25/89/17/372258917.db2.gz OPTPIKCGQHTPAP-GJZGRUSLSA-N 2 1 263.385 2.225 20 0 CEADMP CCCCOCCN1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000362188043 372262545 /nfs/dbraw/zinc/26/25/45/372262545.db2.gz RAPQHUGUKGUKME-OAHLLOKOSA-N 2 1 256.434 2.467 20 0 CEADMP CCCCOCC[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000362188043 372262552 /nfs/dbraw/zinc/26/25/52/372262552.db2.gz RAPQHUGUKGUKME-OAHLLOKOSA-N 2 1 256.434 2.467 20 0 CEADMP CCCCOCC[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000362188043 372262559 /nfs/dbraw/zinc/26/25/59/372262559.db2.gz RAPQHUGUKGUKME-OAHLLOKOSA-N 2 1 256.434 2.467 20 0 CEADMP CCCCOCC[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000362188043 372262562 /nfs/dbraw/zinc/26/25/62/372262562.db2.gz RAPQHUGUKGUKME-OAHLLOKOSA-N 2 1 256.434 2.467 20 0 CEADMP CCCCOCC[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000362188043 372262570 /nfs/dbraw/zinc/26/25/70/372262570.db2.gz RAPQHUGUKGUKME-OAHLLOKOSA-N 2 1 256.434 2.467 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)N2CCC[C@H]2C)CC1 ZINC000362189320 372264903 /nfs/dbraw/zinc/26/49/03/372264903.db2.gz WIFWYEXWBJUMJI-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccco1 ZINC000268922062 372288848 /nfs/dbraw/zinc/28/88/48/372288848.db2.gz OWUWMALHLZZUKB-KBPBESRZSA-N 2 1 266.385 2.167 20 0 CEADMP C[N@H+](Cc1cccc2nsnc21)C[C@H]1CCC[NH+](C)C1 ZINC000268987775 372309052 /nfs/dbraw/zinc/30/90/52/372309052.db2.gz FXSSNBHCUSVXGL-LBPRGKRZSA-N 2 1 290.436 2.465 20 0 CEADMP C[NH+](Cc1cccc2nsnc21)C[C@H]1CCC[N@H+](C)C1 ZINC000268987775 372309057 /nfs/dbraw/zinc/30/90/57/372309057.db2.gz FXSSNBHCUSVXGL-LBPRGKRZSA-N 2 1 290.436 2.465 20 0 CEADMP C[NH+](Cc1cccc2nsnc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000268987775 372309060 /nfs/dbraw/zinc/30/90/60/372309060.db2.gz FXSSNBHCUSVXGL-LBPRGKRZSA-N 2 1 290.436 2.465 20 0 CEADMP CC(C)[C@H]([NH3+])c1cn(C[C@@H]2CCCC[N@H+]2C(C)C)nn1 ZINC000641167090 372361994 /nfs/dbraw/zinc/36/19/94/372361994.db2.gz BACYJQWOOVDEOD-ZFWWWQNUSA-N 2 1 279.432 2.197 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCSC)C1 ZINC000362483998 372382168 /nfs/dbraw/zinc/38/21/68/372382168.db2.gz ILNCLEBCQBYSAK-CQSZACIVSA-N 2 1 274.474 2.172 20 0 CEADMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+]1CCCC[C@H]1C ZINC000362566088 372430384 /nfs/dbraw/zinc/43/03/84/372430384.db2.gz FNFUBHNNOUAVKM-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CN(C)C[C@H]2C)C1 ZINC000344396959 217180302 /nfs/dbraw/zinc/18/03/02/217180302.db2.gz UIPDMBGQOMUTED-OAGGEKHMSA-N 2 1 281.488 2.427 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CN(C)C[C@H]2C)C1 ZINC000344396959 217180304 /nfs/dbraw/zinc/18/03/04/217180304.db2.gz UIPDMBGQOMUTED-OAGGEKHMSA-N 2 1 281.488 2.427 20 0 CEADMP CCCCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362700906 372493654 /nfs/dbraw/zinc/49/36/54/372493654.db2.gz DJAUDBPFLVIHHI-HOTGVXAUSA-N 2 1 267.461 2.134 20 0 CEADMP CC(C)(C)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344526216 217219717 /nfs/dbraw/zinc/21/97/17/217219717.db2.gz JHAYPTRPZSVQMW-KRWDZBQOSA-N 2 1 276.424 2.259 20 0 CEADMP CC(C)(C)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344526216 217219720 /nfs/dbraw/zinc/21/97/20/217219720.db2.gz JHAYPTRPZSVQMW-KRWDZBQOSA-N 2 1 276.424 2.259 20 0 CEADMP CCc1noc(C2CCC([NH2+][C@@H]3CCC[NH2+][C@H]3C)CC2)n1 ZINC000333086030 205019314 /nfs/dbraw/zinc/01/93/14/205019314.db2.gz BPQNQYAWYGIKBA-GFJIZPEISA-N 2 1 292.427 2.388 20 0 CEADMP C[C@H]1CCC[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)CC1 ZINC000641765386 372704155 /nfs/dbraw/zinc/70/41/55/372704155.db2.gz ZWUFNHXSYMHOIB-GJZGRUSLSA-N 2 1 268.445 2.392 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000641770412 372712253 /nfs/dbraw/zinc/71/22/53/372712253.db2.gz QSGQUDUENGVZOQ-HNNXBMFYSA-N 2 1 289.423 2.350 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641803214 372748415 /nfs/dbraw/zinc/74/84/15/372748415.db2.gz BOPUXTBUJQFFTJ-GLQYFDAESA-N 2 1 289.423 2.291 20 0 CEADMP Cc1ccc(NC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c(Cl)c1 ZINC000641808688 372756341 /nfs/dbraw/zinc/75/63/41/372756341.db2.gz ZSGNCLHYGLJOLO-CHWSQXEVSA-N 2 1 295.814 2.302 20 0 CEADMP C[C@H]1CCC[N@H+]1C1CCN(CCOCC(F)F)CC1 ZINC000364957701 372799300 /nfs/dbraw/zinc/79/93/00/372799300.db2.gz YXNACUVSTUOYSO-LBPRGKRZSA-N 2 1 276.371 2.217 20 0 CEADMP CCOC(=O)CC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000270619279 372868438 /nfs/dbraw/zinc/86/84/38/372868438.db2.gz JTOCOVBYBOYMKT-UHFFFAOYSA-N 2 1 293.411 2.247 20 0 CEADMP CC[C@H](C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)[NH+](CC)CC ZINC000344651731 217263710 /nfs/dbraw/zinc/26/37/10/217263710.db2.gz ZXTFMRVMTONZME-HUUCEWRRSA-N 2 1 297.487 2.343 20 0 CEADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000333317531 205213808 /nfs/dbraw/zinc/21/38/08/205213808.db2.gz TWBSOXHFLJBSAC-APIJFGDWSA-N 2 1 288.439 2.167 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000353494979 220116913 /nfs/dbraw/zinc/11/69/13/220116913.db2.gz ZESIWFRAJVBUDD-ARFHVFGLSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353494979 220116915 /nfs/dbraw/zinc/11/69/15/220116915.db2.gz ZESIWFRAJVBUDD-ARFHVFGLSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353494979 220116919 /nfs/dbraw/zinc/11/69/19/220116919.db2.gz ZESIWFRAJVBUDD-ARFHVFGLSA-N 2 1 267.461 2.323 20 0 CEADMP CCc1nc([C@@H]2CCCC[N@@H+]2CC[C@H]2CC[NH2+]C2)no1 ZINC000643057579 372938349 /nfs/dbraw/zinc/93/83/49/372938349.db2.gz VFYPGLJNENFCMV-OLZOCXBDSA-N 2 1 278.400 2.159 20 0 CEADMP CCc1nc([C@@H]2CCCC[N@H+]2CC[C@H]2CC[NH2+]C2)no1 ZINC000643057579 372938355 /nfs/dbraw/zinc/93/83/55/372938355.db2.gz VFYPGLJNENFCMV-OLZOCXBDSA-N 2 1 278.400 2.159 20 0 CEADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000353526441 220137368 /nfs/dbraw/zinc/13/73/68/220137368.db2.gz AOVWOLHXLHDXAS-OAGGEKHMSA-N 2 1 289.423 2.095 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000353534810 220141745 /nfs/dbraw/zinc/14/17/45/220141745.db2.gz UUMFWKDSXNVDLK-KKUMJFAQSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000353534810 220141746 /nfs/dbraw/zinc/14/17/46/220141746.db2.gz UUMFWKDSXNVDLK-KKUMJFAQSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)C[N@H+]1C1CC1 ZINC000366285616 373024339 /nfs/dbraw/zinc/02/43/39/373024339.db2.gz QXKMZKZUBUJBBR-GJEMEMOUSA-N 2 1 277.456 2.218 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1(C)C ZINC000643502966 373162588 /nfs/dbraw/zinc/16/25/88/373162588.db2.gz WFQSREYFQNXMFZ-MGPQQGTHSA-N 2 1 254.418 2.310 20 0 CEADMP C[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367602713 373165674 /nfs/dbraw/zinc/16/56/74/373165674.db2.gz VSKHGJLZLSJPII-ZACQAIPSSA-N 3 1 279.472 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)[C@H]2CCC[C@@H]21 ZINC000367602713 373165679 /nfs/dbraw/zinc/16/56/79/373165679.db2.gz VSKHGJLZLSJPII-ZACQAIPSSA-N 2 1 279.472 2.181 20 0 CEADMP CC(C)c1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)on1 ZINC000643455038 373126021 /nfs/dbraw/zinc/12/60/21/373126021.db2.gz ZIIBNIOPTCLAHS-AAEUAGOBSA-N 2 1 251.374 2.276 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000643463000 373132688 /nfs/dbraw/zinc/13/26/88/373132688.db2.gz YJMYWDFWBUVJHT-LNSITVRQSA-N 2 1 295.377 2.274 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccccc1Cl ZINC000643467552 373136872 /nfs/dbraw/zinc/13/68/72/373136872.db2.gz UDISTMNUZLMODW-MGPQQGTHSA-N 2 1 268.788 2.497 20 0 CEADMP CC(C)Oc1ncccc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000643471927 373141860 /nfs/dbraw/zinc/14/18/60/373141860.db2.gz SHUBVOBVQPCRQM-ZFWWWQNUSA-N 2 1 277.412 2.347 20 0 CEADMP CC(C)Oc1ncccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000643471963 373141946 /nfs/dbraw/zinc/14/19/46/373141946.db2.gz ZWNDQZWHJPNSMC-NWDGAFQWSA-N 2 1 251.374 2.084 20 0 CEADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)C1C[NH2+]C1)CCO2 ZINC000643482352 373148029 /nfs/dbraw/zinc/14/80/29/373148029.db2.gz AKXJHYLSPJHJPY-IAQYHMDHSA-N 2 1 276.380 2.106 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nn(C)c2ccccc12 ZINC000643481072 373148879 /nfs/dbraw/zinc/14/88/79/373148879.db2.gz LBTSKEVXINIFOM-TZMCWYRMSA-N 2 1 272.396 2.051 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)n1 ZINC000353568198 220163111 /nfs/dbraw/zinc/16/31/11/220163111.db2.gz PBYYQXMPSLWELX-ZIAGYGMSSA-N 2 1 279.428 2.340 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)n1 ZINC000353568198 220163113 /nfs/dbraw/zinc/16/31/13/220163113.db2.gz PBYYQXMPSLWELX-ZIAGYGMSSA-N 2 1 279.428 2.340 20 0 CEADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643527589 373185605 /nfs/dbraw/zinc/18/56/05/373185605.db2.gz OXGIDZPNMNXMJL-CXAGYDPISA-N 2 1 285.391 2.311 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cnn(C)c1 ZINC000643546622 373203615 /nfs/dbraw/zinc/20/36/15/373203615.db2.gz RVHWEBNDAIZCQY-KGLIPLIRSA-N 2 1 262.401 2.136 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(CO)c1 ZINC000271966020 373236867 /nfs/dbraw/zinc/23/68/67/373236867.db2.gz MMYHZPSBVJFXNH-RRQGHBQHSA-N 2 1 274.408 2.456 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(CO)c1 ZINC000271966020 373236871 /nfs/dbraw/zinc/23/68/71/373236871.db2.gz MMYHZPSBVJFXNH-RRQGHBQHSA-N 2 1 274.408 2.456 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000368607103 373248750 /nfs/dbraw/zinc/24/87/50/373248750.db2.gz GSCOHTYVJABBDE-JHJVBQTASA-N 2 1 254.443 2.344 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCOC1 ZINC000643911136 373302568 /nfs/dbraw/zinc/30/25/68/373302568.db2.gz ABEFMKGWYKJISY-USXIJHARSA-N 2 1 274.408 2.276 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCOC1 ZINC000643911136 373302577 /nfs/dbraw/zinc/30/25/77/373302577.db2.gz ABEFMKGWYKJISY-USXIJHARSA-N 2 1 274.408 2.276 20 0 CEADMP C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272187225 373347814 /nfs/dbraw/zinc/34/78/14/373347814.db2.gz LLOPRQAKLTVYNJ-DOTOQJQBSA-N 2 1 298.434 2.420 20 0 CEADMP C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272187225 373347827 /nfs/dbraw/zinc/34/78/27/373347827.db2.gz LLOPRQAKLTVYNJ-DOTOQJQBSA-N 2 1 298.434 2.420 20 0 CEADMP C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272187227 373348422 /nfs/dbraw/zinc/34/84/22/373348422.db2.gz LLOPRQAKLTVYNJ-RDJZCZTQSA-N 2 1 298.434 2.420 20 0 CEADMP C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272187227 373348435 /nfs/dbraw/zinc/34/84/35/373348435.db2.gz LLOPRQAKLTVYNJ-RDJZCZTQSA-N 2 1 298.434 2.420 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cc[nH]c3n2)[C@H](C)C1 ZINC000353625903 220204051 /nfs/dbraw/zinc/20/40/51/220204051.db2.gz HLGFIKHKQYPNBS-DOMZBBRYSA-N 2 1 272.396 2.383 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3cc[nH]c3n2)[C@H](C)C1 ZINC000353625903 220204053 /nfs/dbraw/zinc/20/40/53/220204053.db2.gz HLGFIKHKQYPNBS-DOMZBBRYSA-N 2 1 272.396 2.383 20 0 CEADMP CC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000644523120 373509493 /nfs/dbraw/zinc/50/94/93/373509493.db2.gz SUJAIMCVRBZQIX-MRXNPFEDSA-N 2 1 264.413 2.387 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000370504780 373672278 /nfs/dbraw/zinc/67/22/78/373672278.db2.gz LYZCTTQEQZXBFM-LSDHHAIUSA-N 2 1 276.428 2.464 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000370504780 373672290 /nfs/dbraw/zinc/67/22/90/373672290.db2.gz LYZCTTQEQZXBFM-LSDHHAIUSA-N 2 1 276.428 2.464 20 0 CEADMP CCCN1CCC([NH2+]CC2(SC)CC[NH+](C)CC2)CC1 ZINC000353649726 220226681 /nfs/dbraw/zinc/22/66/81/220226681.db2.gz OEYRRCYFXVDKBU-UHFFFAOYSA-N 2 1 299.528 2.278 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000353656090 220229033 /nfs/dbraw/zinc/22/90/33/220229033.db2.gz CEMAYNHQPAUCDR-INIZCTEOSA-N 2 1 261.413 2.206 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCc1ccccc1 ZINC000371300366 373835378 /nfs/dbraw/zinc/83/53/78/373835378.db2.gz ORCRHZRRBJRRDG-SQNIBIBYSA-N 2 1 288.435 2.413 20 0 CEADMP CCn1nc(C[NH2+]CCn2cc[nH+]c2C)c2ccccc21 ZINC000274454997 373929707 /nfs/dbraw/zinc/92/97/07/373929707.db2.gz RTHFQIVLSQMBBD-UHFFFAOYSA-N 2 1 283.379 2.351 20 0 CEADMP CO[C@H](C)[C@H](C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000372064626 374035692 /nfs/dbraw/zinc/03/56/92/374035692.db2.gz GUTAXJVVARSXLU-LSDHHAIUSA-N 2 1 291.439 2.102 20 0 CEADMP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](C)Cc1ccsc1 ZINC000289492103 197374007 /nfs/dbraw/zinc/37/40/07/197374007.db2.gz JMCQKUATQZNJKK-CJNGLKHVSA-N 2 1 296.480 2.456 20 0 CEADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](C)Cc1ccsc1 ZINC000289492103 197374009 /nfs/dbraw/zinc/37/40/09/197374009.db2.gz JMCQKUATQZNJKK-CJNGLKHVSA-N 2 1 296.480 2.456 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H](C)Cc1ccsc1 ZINC000289492103 197374010 /nfs/dbraw/zinc/37/40/10/197374010.db2.gz JMCQKUATQZNJKK-CJNGLKHVSA-N 2 1 296.480 2.456 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](C)Cc1ccsc1 ZINC000289492103 197374012 /nfs/dbraw/zinc/37/40/12/197374012.db2.gz JMCQKUATQZNJKK-CJNGLKHVSA-N 2 1 296.480 2.456 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC[C@H]3CCOC3)CC[C@H]21 ZINC000645815921 374203347 /nfs/dbraw/zinc/20/33/47/374203347.db2.gz CRAAYQUPNHQUNY-ARFHVFGLSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC[C@H]3CCOC3)CC[C@H]21 ZINC000645815921 374203354 /nfs/dbraw/zinc/20/33/54/374203354.db2.gz CRAAYQUPNHQUNY-ARFHVFGLSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)CC[C@H]21 ZINC000645815921 374203358 /nfs/dbraw/zinc/20/33/58/374203358.db2.gz CRAAYQUPNHQUNY-ARFHVFGLSA-N 2 1 266.429 2.219 20 0 CEADMP CC/C=C/CC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000373343738 374332534 /nfs/dbraw/zinc/33/25/34/374332534.db2.gz DXGHGOBXLQMXNT-WBXGCANISA-N 2 1 279.472 2.301 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H](CCO)c1ccc(OC)cc1 ZINC000276986080 374370557 /nfs/dbraw/zinc/37/05/57/374370557.db2.gz ZFLYFIOHECYJKA-KRWDZBQOSA-N 2 1 294.439 2.440 20 0 CEADMP CCCC[C@H](COC)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000373555108 374379281 /nfs/dbraw/zinc/37/92/81/374379281.db2.gz OMVQWPZVEKANNZ-UONOGXRCSA-N 2 1 265.401 2.240 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCOCC(F)(F)F)C2)CC1 ZINC000374177913 374506546 /nfs/dbraw/zinc/50/65/46/374506546.db2.gz OIPVOQALMWANGR-UHFFFAOYSA-N 2 1 294.361 2.373 20 0 CEADMP CN(C(=O)CN1CCC(c2c[nH]cn2)CC1)c1ccccc1 ZINC000374201143 374511166 /nfs/dbraw/zinc/51/11/66/374511166.db2.gz UIEZHYFHCJQAHH-UHFFFAOYSA-N 2 1 298.390 2.252 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1cc[nH]n1)CC2)C1CC1 ZINC000374282483 374531422 /nfs/dbraw/zinc/53/14/22/374531422.db2.gz HOJSZEJFIHTZQN-ZDUSSCGKSA-N 2 1 274.412 2.106 20 0 CEADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2)c1 ZINC000334180002 206152440 /nfs/dbraw/zinc/15/24/40/206152440.db2.gz AAFZVHUKZCADTR-SFHVURJKSA-N 2 1 296.418 2.448 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000278359151 374792817 /nfs/dbraw/zinc/79/28/17/374792817.db2.gz ISCAFBLCOSBGII-ZIAGYGMSSA-N 2 1 265.376 2.492 20 0 CEADMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000377617866 374899063 /nfs/dbraw/zinc/89/90/63/374899063.db2.gz AVPSHAQPAXHZJK-INIZCTEOSA-N 2 1 291.439 2.188 20 0 CEADMP CC1(C)C[N@H+](CCC[NH+]2CCCC2)[C@H]1[C@@H]1CCCO1 ZINC000377673532 374918837 /nfs/dbraw/zinc/91/88/37/374918837.db2.gz KHQGOOKORQSXHT-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP CC1(C)C[N@@H+](CCC[NH+]2CCCC2)[C@H]1[C@@H]1CCCO1 ZINC000377673532 374918841 /nfs/dbraw/zinc/91/88/41/374918841.db2.gz KHQGOOKORQSXHT-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)o1 ZINC000377629227 374904730 /nfs/dbraw/zinc/90/47/30/374904730.db2.gz RCKLGWQVUBVLAT-MRXNPFEDSA-N 2 1 291.439 2.047 20 0 CEADMP CC(C)n1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)nn1 ZINC000377882102 374974066 /nfs/dbraw/zinc/97/40/66/374974066.db2.gz CQLWNSSZZHTSSR-OAHLLOKOSA-N 2 1 291.443 2.023 20 0 CEADMP CC(C)n1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)nn1 ZINC000377882102 374974072 /nfs/dbraw/zinc/97/40/72/374974072.db2.gz CQLWNSSZZHTSSR-OAHLLOKOSA-N 2 1 291.443 2.023 20 0 CEADMP CC(C)C[N@H+]1CCCN(Cc2cccc3nccn32)CC1 ZINC000378442934 375101420 /nfs/dbraw/zinc/10/14/20/375101420.db2.gz LQQGJTKADCRSEE-UHFFFAOYSA-N 2 1 286.423 2.498 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000382908522 375195832 /nfs/dbraw/zinc/19/58/32/375195832.db2.gz WCTAJTYTUJUJLM-KBPBESRZSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1cnccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000384929790 375222474 /nfs/dbraw/zinc/22/24/74/375222474.db2.gz HEJFIHPIUYOLNC-JKSUJKDBSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cnccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000384929790 375222482 /nfs/dbraw/zinc/22/24/82/375222482.db2.gz HEJFIHPIUYOLNC-JKSUJKDBSA-N 2 1 259.397 2.354 20 0 CEADMP CO[C@H]([C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000388278232 375287458 /nfs/dbraw/zinc/28/74/58/375287458.db2.gz KKJSTMBKTLOZJX-IAQYHMDHSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H](C[N@@H+](C)CCN1CC[NH2+]CC1)C1CCCCC1 ZINC000389376700 375304077 /nfs/dbraw/zinc/30/40/77/375304077.db2.gz FUGYXDORECQLKA-OAHLLOKOSA-N 2 1 267.461 2.040 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1CC[NH+](C)CC1 ZINC000389857518 375307973 /nfs/dbraw/zinc/30/79/73/375307973.db2.gz CIHWMYFLMSZDIC-CRAIPNDOSA-N 2 1 287.451 2.191 20 0 CEADMP CCC(CC)(CC)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000391178874 375315804 /nfs/dbraw/zinc/31/58/04/375315804.db2.gz JJWXGCOXYVRKDP-CQSZACIVSA-N 2 1 256.434 2.248 20 0 CEADMP CCC(CC)(CC)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000391178874 375315809 /nfs/dbraw/zinc/31/58/09/375315809.db2.gz JJWXGCOXYVRKDP-CQSZACIVSA-N 2 1 256.434 2.248 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccnn1-c1ccccc1C ZINC000280793864 375324458 /nfs/dbraw/zinc/32/44/58/375324458.db2.gz GRSXNLIMRLMRLH-UHFFFAOYSA-N 2 1 295.390 2.475 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414204094 375802205 /nfs/dbraw/zinc/80/22/05/375802205.db2.gz ZYJBOVCBJORVPQ-ZIAGYGMSSA-N 2 1 284.444 2.428 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414331095 375832342 /nfs/dbraw/zinc/83/23/42/375832342.db2.gz JYNBCLQVVGXICA-ZFWWWQNUSA-N 2 1 261.413 2.289 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000286150913 375857581 /nfs/dbraw/zinc/85/75/81/375857581.db2.gz PLAYSSSWZRTRNM-NEPJUHHUSA-N 2 1 291.395 2.008 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414594762 375873158 /nfs/dbraw/zinc/87/31/58/375873158.db2.gz SJYYFXBFWYPWPS-CHWSQXEVSA-N 2 1 257.337 2.386 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2C2CCOCC2)CC[NH2+]1 ZINC000414759119 375952580 /nfs/dbraw/zinc/95/25/80/375952580.db2.gz NUAKOAKWWQJISF-FMKPAKJESA-N 2 1 266.429 2.266 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000414767956 375958728 /nfs/dbraw/zinc/95/87/28/375958728.db2.gz UHWOXCKYAYPUIJ-YESZJQIVSA-N 2 1 256.393 2.476 20 0 CEADMP COc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1OC(C)C ZINC000414781706 375965153 /nfs/dbraw/zinc/96/51/53/375965153.db2.gz WGZSHUCCOQNSNE-UHFFFAOYSA-N 2 1 278.396 2.404 20 0 CEADMP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1OC(C)C ZINC000414781706 375965161 /nfs/dbraw/zinc/96/51/61/375965161.db2.gz WGZSHUCCOQNSNE-UHFFFAOYSA-N 2 1 278.396 2.404 20 0 CEADMP COc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OC(F)F ZINC000414782630 375966058 /nfs/dbraw/zinc/96/60/58/375966058.db2.gz FLWINYOVTCPPHP-UHFFFAOYSA-N 2 1 286.322 2.138 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414690738 375921610 /nfs/dbraw/zinc/92/16/10/375921610.db2.gz IGKIWGJBOIMQQX-JYJNAYRXSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](CCCO)Cc2ccccc2)CC[NH2+]1 ZINC000414695714 375924452 /nfs/dbraw/zinc/92/44/52/375924452.db2.gz OOCMZAAWXCWATD-RDJZCZTQSA-N 2 1 276.424 2.259 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCCN(c3nccs3)CC2)CC[NH2+]1 ZINC000414699458 375926633 /nfs/dbraw/zinc/92/66/33/375926633.db2.gz YQANXWHAXXTESG-UONOGXRCSA-N 2 1 294.468 2.043 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414701204 375928513 /nfs/dbraw/zinc/92/85/13/375928513.db2.gz UHLPHCXVPLDTJP-RRFJBIMHSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](CCO)[C@@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414705212 375932879 /nfs/dbraw/zinc/93/28/79/375932879.db2.gz WRWUOANRGPZDMP-RVKKMQEKSA-N 2 1 288.435 2.356 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000414711862 375935341 /nfs/dbraw/zinc/93/53/41/375935341.db2.gz SYGXICADLQHHDV-WBVHZDCISA-N 2 1 298.471 2.410 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414715779 375938813 /nfs/dbraw/zinc/93/88/13/375938813.db2.gz XPFISZCLXUAMCS-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP CCCN1CCC([N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414715779 375938818 /nfs/dbraw/zinc/93/88/18/375938818.db2.gz XPFISZCLXUAMCS-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP CCCN1CCC([N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414715779 375938822 /nfs/dbraw/zinc/93/88/22/375938822.db2.gz XPFISZCLXUAMCS-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(OCC2CC2)CC1 ZINC000414737066 375944296 /nfs/dbraw/zinc/94/42/96/375944296.db2.gz HEQPCZYEEMGONB-AWEZNQCLSA-N 2 1 254.418 2.251 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000414750590 375949094 /nfs/dbraw/zinc/94/90/94/375949094.db2.gz YGFVMPOKCCKJQK-UONOGXRCSA-N 2 1 254.418 2.251 20 0 CEADMP C[N@H+](CCC[NH3+])[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000414747347 375949399 /nfs/dbraw/zinc/94/93/99/375949399.db2.gz MUZZYBWOMGWNLY-OLZOCXBDSA-N 2 1 289.206 2.232 20 0 CEADMP C[N@@H+](CCC[NH3+])[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000414747347 375949404 /nfs/dbraw/zinc/94/94/04/375949404.db2.gz MUZZYBWOMGWNLY-OLZOCXBDSA-N 2 1 289.206 2.232 20 0 CEADMP COCC[N@H+](C[C@H]([NH3+])CC(C)C)[C@@H]1CCCSC1 ZINC000414758111 375951345 /nfs/dbraw/zinc/95/13/45/375951345.db2.gz BXPNCLJSIZUMRX-ZIAGYGMSSA-N 2 1 274.474 2.204 20 0 CEADMP COCC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@@H]1CCCSC1 ZINC000414758111 375951353 /nfs/dbraw/zinc/95/13/53/375951353.db2.gz BXPNCLJSIZUMRX-ZIAGYGMSSA-N 2 1 274.474 2.204 20 0 CEADMP COc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1OC(C)C ZINC000414808398 375993640 /nfs/dbraw/zinc/99/36/40/375993640.db2.gz SOORAKNADAEDPI-UHFFFAOYSA-N 2 1 266.385 2.309 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1cnc2ccc(C)cn12 ZINC000414807151 375993989 /nfs/dbraw/zinc/99/39/89/375993989.db2.gz IJUQYWAETOSMKO-UHFFFAOYSA-N 2 1 260.385 2.250 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000414808596 375995235 /nfs/dbraw/zinc/99/52/35/375995235.db2.gz FITWZDNBGBLIKS-OAHLLOKOSA-N 2 1 263.385 2.252 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414809576 375995875 /nfs/dbraw/zinc/99/58/75/375995875.db2.gz VNGUCGGZVHVFMX-UHFFFAOYSA-N 2 1 285.391 2.488 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415034274 376016636 /nfs/dbraw/zinc/01/66/36/376016636.db2.gz CNHAQUJFDCYOIB-UONOGXRCSA-N 2 1 282.428 2.040 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH2+]C)cc1 ZINC000261768102 190043656 /nfs/dbraw/zinc/04/36/56/190043656.db2.gz OYITXKOJXOJYDO-CQSZACIVSA-N 2 1 291.439 2.256 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000414800112 375985079 /nfs/dbraw/zinc/98/50/79/375985079.db2.gz RUCRKDSFTWIWAW-CYBMUJFWSA-N 2 1 278.425 2.222 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000414803183 375987484 /nfs/dbraw/zinc/98/74/84/375987484.db2.gz LVVHJWDKQHVXCF-UHFFFAOYSA-N 2 1 287.411 2.089 20 0 CEADMP CCc1nc(NCC(C)(C)C[NH+](C)C)cc(C)[nH+]1 ZINC000286852022 376085742 /nfs/dbraw/zinc/08/57/42/376085742.db2.gz GNJAAYIBOPAUTD-UHFFFAOYSA-N 2 1 250.390 2.347 20 0 CEADMP C[C@H]1COc2ccccc2C[N@H+]1CC1CC[NH2+]CC1 ZINC000261803587 190044614 /nfs/dbraw/zinc/04/46/14/190044614.db2.gz HCXRGECUDOAVRJ-ZDUSSCGKSA-N 2 1 260.381 2.269 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H]3Cc4ccccc43)C2)CC1 ZINC000287195819 376171119 /nfs/dbraw/zinc/17/11/19/376171119.db2.gz HZQDNQGVOCROFH-ROUUACIJSA-N 2 1 299.462 2.038 20 0 CEADMP Cc1ccnc(C)c1NC(=O)NCCN1CC=CCC1 ZINC000287579267 376264131 /nfs/dbraw/zinc/26/41/31/376264131.db2.gz QQSHTNBVUAWCBX-UHFFFAOYSA-N 2 1 274.368 2.082 20 0 CEADMP CCc1nc(N2CCC[C@@H]([NH+](C)C)CC2)cc(C)[nH+]1 ZINC000287617686 376277177 /nfs/dbraw/zinc/27/71/77/376277177.db2.gz GLPRRKRFDFZJJJ-CYBMUJFWSA-N 2 1 262.401 2.268 20 0 CEADMP CC[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)OC ZINC000419246785 376412605 /nfs/dbraw/zinc/41/26/05/376412605.db2.gz WNQLKVWFDMWQRV-IMJJTQAJSA-N 2 1 266.429 2.360 20 0 CEADMP CC[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)OC ZINC000419246785 376412611 /nfs/dbraw/zinc/41/26/11/376412611.db2.gz WNQLKVWFDMWQRV-IMJJTQAJSA-N 2 1 266.429 2.360 20 0 CEADMP CC[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)OC ZINC000419246785 376412614 /nfs/dbraw/zinc/41/26/14/376412614.db2.gz WNQLKVWFDMWQRV-IMJJTQAJSA-N 2 1 266.429 2.360 20 0 CEADMP CO[C@@H](CC(C)C)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000419221450 376400149 /nfs/dbraw/zinc/40/01/49/376400149.db2.gz AQIMKQGMIAMYCY-KRWDZBQOSA-N 2 1 299.503 2.005 20 0 CEADMP C[C@@]1(CNC(=[NH2+])NC2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309671414 376599499 /nfs/dbraw/zinc/59/94/99/376599499.db2.gz SXZDOSAZHWWSKF-KRWDZBQOSA-N 2 1 286.423 2.175 20 0 CEADMP C[C@@H]1[C@H](NCc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000309746887 376602801 /nfs/dbraw/zinc/60/28/01/376602801.db2.gz USBMXHANHGFDAK-RHSMWYFYSA-N 2 1 284.407 2.173 20 0 CEADMP C[C@@H]1[C@H](NCc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000309746887 376602804 /nfs/dbraw/zinc/60/28/04/376602804.db2.gz USBMXHANHGFDAK-RHSMWYFYSA-N 2 1 284.407 2.173 20 0 CEADMP C[C@@]1(CNCc2ncc[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309749563 376603063 /nfs/dbraw/zinc/60/30/63/376603063.db2.gz VPQUVSNTBXLOOT-KRWDZBQOSA-N 2 1 284.407 2.412 20 0 CEADMP CC(C)c1cc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420194869 376604673 /nfs/dbraw/zinc/60/46/73/376604673.db2.gz VJPMEMMHQDJVEV-CHWSQXEVSA-N 2 1 291.443 2.230 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000290020222 376605222 /nfs/dbraw/zinc/60/52/22/376605222.db2.gz PHMZACZUUMOKRL-UWWQBHOKSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000290020222 376605227 /nfs/dbraw/zinc/60/52/27/376605227.db2.gz PHMZACZUUMOKRL-UWWQBHOKSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000290020222 376605233 /nfs/dbraw/zinc/60/52/33/376605233.db2.gz PHMZACZUUMOKRL-UWWQBHOKSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000290020222 376605239 /nfs/dbraw/zinc/60/52/39/376605239.db2.gz PHMZACZUUMOKRL-UWWQBHOKSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290020222 376605243 /nfs/dbraw/zinc/60/52/43/376605243.db2.gz PHMZACZUUMOKRL-UWWQBHOKSA-N 2 1 288.435 2.320 20 0 CEADMP CCn1nc(C)c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1C ZINC000307973915 376578846 /nfs/dbraw/zinc/57/88/46/376578846.db2.gz NXEYHZVGHQHFDL-OAHLLOKOSA-N 2 1 266.433 2.325 20 0 CEADMP CCn1nc(C)c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1C ZINC000307973915 376578860 /nfs/dbraw/zinc/57/88/60/376578860.db2.gz NXEYHZVGHQHFDL-OAHLLOKOSA-N 2 1 266.433 2.325 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(N(C)C)s1 ZINC000264407954 190107925 /nfs/dbraw/zinc/10/79/25/190107925.db2.gz YUDNBEWZJRTKED-LLVKDONJSA-N 2 1 293.440 2.140 20 0 CEADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)C)CC2)CC1 ZINC000559057347 376658937 /nfs/dbraw/zinc/65/89/37/376658937.db2.gz LZIDLSHPPVPDHI-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCCC3CCCC3)C2)nn1 ZINC000420384385 376683854 /nfs/dbraw/zinc/68/38/54/376683854.db2.gz RRSAMDZSRBHQFR-INIZCTEOSA-N 2 1 291.443 2.344 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420387097 376686263 /nfs/dbraw/zinc/68/62/63/376686263.db2.gz GKBSMMGIHDAWKL-JKSUJKDBSA-N 3 1 267.461 2.182 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420387097 376686272 /nfs/dbraw/zinc/68/62/72/376686272.db2.gz GKBSMMGIHDAWKL-JKSUJKDBSA-N 3 1 267.461 2.182 20 0 CEADMP CN(C[C@H](O)C[N@H+]1CCC[C@H]2CCCC[C@H]21)C1CC1 ZINC000311944197 376696663 /nfs/dbraw/zinc/69/66/63/376696663.db2.gz XZUKNQWWLPSQGJ-VNQPRFMTSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]2CCCC[C@H]21)C1CC1 ZINC000311944197 376696670 /nfs/dbraw/zinc/69/66/70/376696670.db2.gz XZUKNQWWLPSQGJ-VNQPRFMTSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]2CCCC[C@H]21)C1CC1 ZINC000311944197 376696678 /nfs/dbraw/zinc/69/66/78/376696678.db2.gz XZUKNQWWLPSQGJ-VNQPRFMTSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]2CCCC[C@H]21)C1CC1 ZINC000311944197 376696683 /nfs/dbraw/zinc/69/66/83/376696683.db2.gz XZUKNQWWLPSQGJ-VNQPRFMTSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]2CCCC[C@H]21)C1CC1 ZINC000311944197 376696691 /nfs/dbraw/zinc/69/66/91/376696691.db2.gz XZUKNQWWLPSQGJ-VNQPRFMTSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)C(C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C(C)C ZINC000560050364 376710385 /nfs/dbraw/zinc/71/03/85/376710385.db2.gz LGDCELIATJDLOZ-HNNXBMFYSA-N 2 1 297.487 2.092 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420909126 376733941 /nfs/dbraw/zinc/73/39/41/376733941.db2.gz YGAVNBWJRSRQLR-IYBDPMFKSA-N 2 1 268.445 2.201 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C[C@H]3C[C@@H](O)C3)C1)CCCC2 ZINC000420914680 376736260 /nfs/dbraw/zinc/73/62/60/376736260.db2.gz CRWTYJZRLWTJQE-SOUVJXGZSA-N 2 1 289.423 2.088 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C[C@H]3C[C@@H](O)C3)C1)CCCC2 ZINC000420914680 376736264 /nfs/dbraw/zinc/73/62/64/376736264.db2.gz CRWTYJZRLWTJQE-SOUVJXGZSA-N 2 1 289.423 2.088 20 0 CEADMP C[C@@H]1CCC[C@@](C[NH2+]CCCc2cnn(C)c2)([NH+](C)C)C1 ZINC000314968432 376790559 /nfs/dbraw/zinc/79/05/59/376790559.db2.gz WGXDINDVZYDITN-NVXWUHKLSA-N 2 1 292.471 2.453 20 0 CEADMP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(C[NH+](C)C)c1 ZINC000561247614 376804691 /nfs/dbraw/zinc/80/46/91/376804691.db2.gz VJDAZZSJTVHPGD-CQSZACIVSA-N 2 1 289.423 2.337 20 0 CEADMP c1cn(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)cn1 ZINC000320117035 376821105 /nfs/dbraw/zinc/82/11/05/376821105.db2.gz NFVVOPYPOQCHFZ-CALCHBBNSA-N 2 1 296.418 2.304 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc4nccn43)C2)CC1 ZINC000290586716 376844224 /nfs/dbraw/zinc/84/42/24/376844224.db2.gz UYSFLKVJNVNAET-MRXNPFEDSA-N 3 1 298.434 2.498 20 0 CEADMP COc1ccc(-n2ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])n2)cc1 ZINC000422937898 376867066 /nfs/dbraw/zinc/86/70/66/376867066.db2.gz DDHPWXKCENHNGA-STQMWFEESA-N 2 1 288.395 2.096 20 0 CEADMP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422954617 376880072 /nfs/dbraw/zinc/88/00/72/376880072.db2.gz JJLXDOVHUUJUPG-VFSICIBPSA-N 2 1 260.381 2.247 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422957152 376882291 /nfs/dbraw/zinc/88/22/91/376882291.db2.gz SCOAFIRTJCXQGH-ZENOOKHLSA-N 2 1 262.397 2.356 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1c[nH+]ccc1N ZINC000422961328 376887480 /nfs/dbraw/zinc/88/74/80/376887480.db2.gz BKKMHZGGYDUOSY-RISCZKNCSA-N 2 1 274.368 2.041 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)Nc1ncnc(N)c1Cl ZINC000290702522 376888569 /nfs/dbraw/zinc/88/85/69/376888569.db2.gz KSDJBICESGSVJV-SECBINFHSA-N 2 1 271.796 2.245 20 0 CEADMP CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423079697 376974102 /nfs/dbraw/zinc/97/41/02/376974102.db2.gz YQBRYFLZENJTGI-MCIONIFRSA-N 2 1 254.418 2.169 20 0 CEADMP C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)[C@@H]1CCCC[NH2+]1 ZINC000423057305 376952545 /nfs/dbraw/zinc/95/25/45/376952545.db2.gz ZGCBMOVDXNGRQM-HIFRSBDPSA-N 2 1 286.423 2.236 20 0 CEADMP CC[C@H]([NH2+][C@H](CO)Cc1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000423064233 376952780 /nfs/dbraw/zinc/95/27/80/376952780.db2.gz YNTQEKIBHIQBRN-ULQDDVLXSA-N 2 1 276.424 2.019 20 0 CEADMP C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423069280 376959684 /nfs/dbraw/zinc/95/96/84/376959684.db2.gz DMRHBZLBBNIQFS-VHDGCEQUSA-N 2 1 254.418 2.048 20 0 CEADMP Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000423068474 376960038 /nfs/dbraw/zinc/96/00/38/376960038.db2.gz JXVXYNDYSNBGEF-ZFWWWQNUSA-N 2 1 285.391 2.057 20 0 CEADMP CC(C)(C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000423069910 376962185 /nfs/dbraw/zinc/96/21/85/376962185.db2.gz FKJXYGOOFJTSSP-CABCVRRESA-N 3 1 267.461 2.216 20 0 CEADMP C[C@H](NC[C@H]1CCCC[N@H+]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423075108 376967578 /nfs/dbraw/zinc/96/75/78/376967578.db2.gz NOXWRDHZQYNSHO-NUEKZKHPSA-N 2 1 265.445 2.124 20 0 CEADMP COC[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000423119142 377015527 /nfs/dbraw/zinc/01/55/27/377015527.db2.gz BHEGLCPSOBQCOJ-AWEZNQCLSA-N 2 1 268.788 2.369 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1COc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000423121880 377017877 /nfs/dbraw/zinc/01/78/77/377017877.db2.gz JMZCLSRVAAQAOU-VNHYZAJKSA-N 2 1 260.381 2.283 20 0 CEADMP COC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@@H+]1CC(C)C ZINC000562946039 377029840 /nfs/dbraw/zinc/02/98/40/377029840.db2.gz IDVJPCAJJFBUQE-LSDHHAIUSA-N 2 1 256.434 2.369 20 0 CEADMP COC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@H+]1CC(C)C ZINC000562946039 377029848 /nfs/dbraw/zinc/02/98/48/377029848.db2.gz IDVJPCAJJFBUQE-LSDHHAIUSA-N 2 1 256.434 2.369 20 0 CEADMP COc1cc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)ccc1Cl ZINC000423136350 377035372 /nfs/dbraw/zinc/03/53/72/377035372.db2.gz PEFYRQQFEJQAPD-SMDDNHRTSA-N 2 1 282.815 2.479 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423110043 377003819 /nfs/dbraw/zinc/00/38/19/377003819.db2.gz OMKZBYGTSXSQIM-RYQLBKOJSA-N 2 1 289.467 2.409 20 0 CEADMP [NH3+]CCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423195522 377109895 /nfs/dbraw/zinc/10/98/95/377109895.db2.gz STQJYLWBZVQQLD-FGTMMUONSA-N 2 1 287.451 2.226 20 0 CEADMP [NH3+]CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423195522 377109905 /nfs/dbraw/zinc/10/99/05/377109905.db2.gz STQJYLWBZVQQLD-FGTMMUONSA-N 3 1 287.451 2.226 20 0 CEADMP [NH3+]CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423195522 377109916 /nfs/dbraw/zinc/10/99/16/377109916.db2.gz STQJYLWBZVQQLD-FGTMMUONSA-N 3 1 287.451 2.226 20 0 CEADMP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423159273 377061460 /nfs/dbraw/zinc/06/14/60/377061460.db2.gz XTRBYGGATYWWGF-AAVRWANBSA-N 2 1 288.382 2.169 20 0 CEADMP COc1ncc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1Cl ZINC000423163873 377066890 /nfs/dbraw/zinc/06/68/90/377066890.db2.gz VWUOYZZKHPBCJW-OLZOCXBDSA-N 2 1 283.803 2.493 20 0 CEADMP Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2c[nH+]ccc2N)cc1C ZINC000423160968 377068154 /nfs/dbraw/zinc/06/81/54/377068154.db2.gz IFENIHNCPOSECS-ZBFHGGJFSA-N 2 1 299.418 2.365 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C12CCC2 ZINC000423165890 377069489 /nfs/dbraw/zinc/06/94/89/377069489.db2.gz BOQLYGOMKITQNY-ZLKJLUDKSA-N 2 1 261.369 2.102 20 0 CEADMP COc1cccc2c1C[C@@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C2 ZINC000423166768 377071748 /nfs/dbraw/zinc/07/17/48/377071748.db2.gz DECXAUHXJICPNL-DUVNUKRYSA-N 2 1 274.408 2.283 20 0 CEADMP Cc1cnccc1CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000563041477 377072222 /nfs/dbraw/zinc/07/22/22/377072222.db2.gz DQODVDYNWQNXHP-OAHLLOKOSA-N 2 1 261.413 2.206 20 0 CEADMP Cc1cnccc1CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000563041477 377072230 /nfs/dbraw/zinc/07/22/30/377072230.db2.gz DQODVDYNWQNXHP-OAHLLOKOSA-N 2 1 261.413 2.206 20 0 CEADMP Cc1cnccc1CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000563041477 377072240 /nfs/dbraw/zinc/07/22/40/377072240.db2.gz DQODVDYNWQNXHP-OAHLLOKOSA-N 2 1 261.413 2.206 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423169861 377078023 /nfs/dbraw/zinc/07/80/23/377078023.db2.gz WREAQXIZFVQXHW-BZUAXINKSA-N 2 1 279.472 2.371 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000423176960 377087486 /nfs/dbraw/zinc/08/74/86/377087486.db2.gz GUWULECEULXSGK-BMFZPTHFSA-N 2 1 280.387 2.022 20 0 CEADMP C[NH2+]CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423222793 377139950 /nfs/dbraw/zinc/13/99/50/377139950.db2.gz CPMPZLIZVQSIJR-CYBMUJFWSA-N 2 1 283.213 2.115 20 0 CEADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423224086 377141706 /nfs/dbraw/zinc/14/17/06/377141706.db2.gz IEWBXQJTKQGEEY-YQQAZPJKSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423224086 377141709 /nfs/dbraw/zinc/14/17/09/377141709.db2.gz IEWBXQJTKQGEEY-YQQAZPJKSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423224086 377141717 /nfs/dbraw/zinc/14/17/17/377141717.db2.gz IEWBXQJTKQGEEY-YQQAZPJKSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000423224086 377141721 /nfs/dbraw/zinc/14/17/21/377141721.db2.gz IEWBXQJTKQGEEY-YQQAZPJKSA-N 2 1 275.440 2.224 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000423232354 377151497 /nfs/dbraw/zinc/15/14/97/377151497.db2.gz IFMTZKUMFINOPM-NSHDSACASA-N 2 1 256.340 2.485 20 0 CEADMP CC[NH2+]CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423247432 377166273 /nfs/dbraw/zinc/16/62/73/377166273.db2.gz PHOVAYWTTVORFB-DOTOQJQBSA-N 2 1 275.440 2.096 20 0 CEADMP CCc1ccc([C@@H](COC)[NH2+]CCCc2c[nH+]cn2C)o1 ZINC000563352716 377179525 /nfs/dbraw/zinc/17/95/25/377179525.db2.gz FEPHLNPHTPXZLW-OAHLLOKOSA-N 2 1 291.395 2.485 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc(OC)c1OC ZINC000423260422 377179771 /nfs/dbraw/zinc/17/97/71/377179771.db2.gz HKARTXBDIMECBA-DGCLKSJQSA-N 2 1 296.411 2.346 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000563352103 377181473 /nfs/dbraw/zinc/18/14/73/377181473.db2.gz BUJYRWXVYYVHQT-QZTJIDSGSA-N 2 1 298.434 2.388 20 0 CEADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)[C@H]1CCOC1 ZINC000423266072 377185142 /nfs/dbraw/zinc/18/51/42/377185142.db2.gz RTQZSXOJRCLWFP-KKUMJFAQSA-N 2 1 254.418 2.299 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000423274817 377198545 /nfs/dbraw/zinc/19/85/45/377198545.db2.gz MNYMRWWFDMAIDM-PBHICJAKSA-N 2 1 291.439 2.157 20 0 CEADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]CC(C)(C)[NH3+] ZINC000423282177 377210147 /nfs/dbraw/zinc/21/01/47/377210147.db2.gz CGLRKRAYWYYEJD-GFCCVEGCSA-N 2 1 252.333 2.149 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(-n2ccnc2)cc1 ZINC000423281829 377210276 /nfs/dbraw/zinc/21/02/76/377210276.db2.gz BYQYAYRJIOSJAI-GFCCVEGCSA-N 2 1 258.369 2.260 20 0 CEADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423336656 377267493 /nfs/dbraw/zinc/26/74/93/377267493.db2.gz XWZYPJHZWCFRMF-MLGOLLRUSA-N 2 1 278.396 2.100 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000423292181 377223249 /nfs/dbraw/zinc/22/32/49/377223249.db2.gz LVUUAZCKFVXOLK-DVOMOZLQSA-N 3 1 261.413 2.279 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000423292181 377223253 /nfs/dbraw/zinc/22/32/53/377223253.db2.gz LVUUAZCKFVXOLK-DVOMOZLQSA-N 2 1 261.413 2.279 20 0 CEADMP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000423292181 377223258 /nfs/dbraw/zinc/22/32/58/377223258.db2.gz LVUUAZCKFVXOLK-DVOMOZLQSA-N 2 1 261.413 2.279 20 0 CEADMP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000423292181 377223262 /nfs/dbraw/zinc/22/32/62/377223262.db2.gz LVUUAZCKFVXOLK-DVOMOZLQSA-N 2 1 261.413 2.279 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000423298216 377228215 /nfs/dbraw/zinc/22/82/15/377228215.db2.gz NQMDBPARDVJTFU-QLFBSQMISA-N 2 1 284.444 2.068 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000423302120 377230357 /nfs/dbraw/zinc/23/03/57/377230357.db2.gz HCKQRACBHFILOS-CVEARBPZSA-N 3 1 289.467 2.266 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423304380 377232356 /nfs/dbraw/zinc/23/23/56/377232356.db2.gz YNQKIHHTYSEZIU-GJZGRUSLSA-N 2 1 262.397 2.487 20 0 CEADMP CCC[NH2+]CC[NH2+][C@H]1C[C@@H](OCC)C12CCCC2 ZINC000423317831 377248532 /nfs/dbraw/zinc/24/85/32/377248532.db2.gz YURGTJHIDRUYBX-UONOGXRCSA-N 2 1 254.418 2.313 20 0 CEADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423322392 377252683 /nfs/dbraw/zinc/25/26/83/377252683.db2.gz IJJKRMYCFOXVOF-LLVKDONJSA-N 2 1 261.369 2.177 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(F)(F)C[NH3+] ZINC000423323771 377256102 /nfs/dbraw/zinc/25/61/02/377256102.db2.gz KFYTUBQUVJSSII-ZFWWWQNUSA-N 2 1 297.393 2.081 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(F)(F)C[NH3+] ZINC000423323771 377256113 /nfs/dbraw/zinc/25/61/13/377256113.db2.gz KFYTUBQUVJSSII-ZFWWWQNUSA-N 2 1 297.393 2.081 20 0 CEADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(OC)c(OC)c1 ZINC000423328432 377260911 /nfs/dbraw/zinc/26/09/11/377260911.db2.gz OBDOUFAORZPGIO-ZYHUDNBSSA-N 2 1 252.358 2.092 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]([NH3+])C1CC1 ZINC000423327331 377261151 /nfs/dbraw/zinc/26/11/51/377261151.db2.gz RHVRUUBGKYHJQZ-ZTFGCOKTSA-N 2 1 287.451 2.224 20 0 CEADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423276287 377201147 /nfs/dbraw/zinc/20/11/47/377201147.db2.gz ODVGTODPPLKZBB-XHDPSFHLSA-N 2 1 263.385 2.279 20 0 CEADMP COc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc(OC)c1OC ZINC000423278355 377205558 /nfs/dbraw/zinc/20/55/58/377205558.db2.gz PQBQRHLQEYFGRL-ZWNOBZJWSA-N 2 1 294.395 2.100 20 0 CEADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000563658767 377273162 /nfs/dbraw/zinc/27/31/62/377273162.db2.gz ZAJXZSINYGNGIZ-UHFFFAOYSA-N 2 1 272.396 2.256 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000563658767 377273168 /nfs/dbraw/zinc/27/31/68/377273168.db2.gz ZAJXZSINYGNGIZ-UHFFFAOYSA-N 2 1 272.396 2.256 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)NCCCC[NH+](C)C)c1ccccc1 ZINC000264911284 190143674 /nfs/dbraw/zinc/14/36/74/190143674.db2.gz NNOHRTLEFGZUNN-MRXNPFEDSA-N 2 1 291.439 2.137 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCCc2ccccc21 ZINC000564383997 377383584 /nfs/dbraw/zinc/38/35/84/377383584.db2.gz FVICQRDDIRJYNN-AEFFLSMTSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCCc2ccccc21 ZINC000564383997 377383590 /nfs/dbraw/zinc/38/35/90/377383590.db2.gz FVICQRDDIRJYNN-AEFFLSMTSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)[C@H]1CCCc2ccccc21)C1CC1 ZINC000564383997 377383595 /nfs/dbraw/zinc/38/35/95/377383595.db2.gz FVICQRDDIRJYNN-AEFFLSMTSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)[C@H]1CCCc2ccccc21)C1CC1 ZINC000564383997 377383599 /nfs/dbraw/zinc/38/35/99/377383599.db2.gz FVICQRDDIRJYNN-AEFFLSMTSA-N 2 1 288.435 2.451 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)oc1C ZINC000564457778 377394384 /nfs/dbraw/zinc/39/43/84/377394384.db2.gz XZGMNAXAYFRLAY-GDBMZVCRSA-N 2 1 293.411 2.010 20 0 CEADMP C[N@H+]1CCC[C@]2(CCN(C[C@@H](O)c3ccc(F)cc3)C2)C1 ZINC000293064919 377414288 /nfs/dbraw/zinc/41/42/88/377414288.db2.gz UYEXYPKDDRFKIC-SJORKVTESA-N 2 1 292.398 2.277 20 0 CEADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)c3ccc(F)cc3)C2)C1 ZINC000293064919 377414293 /nfs/dbraw/zinc/41/42/93/377414293.db2.gz UYEXYPKDDRFKIC-SJORKVTESA-N 2 1 292.398 2.277 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)c3ccc(F)cc3)C2)C1 ZINC000293064919 377414302 /nfs/dbraw/zinc/41/43/02/377414302.db2.gz UYEXYPKDDRFKIC-SJORKVTESA-N 2 1 292.398 2.277 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)CC[NH2+]1 ZINC000564969676 377518387 /nfs/dbraw/zinc/51/83/87/377518387.db2.gz BEAPPKZZONVXRJ-WCVJEAGWSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000430743379 377547791 /nfs/dbraw/zinc/54/77/91/377547791.db2.gz OHCQKEYQCGQPBF-FMKPAKJESA-N 2 1 289.423 2.066 20 0 CEADMP C[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000430743379 377547795 /nfs/dbraw/zinc/54/77/95/377547795.db2.gz OHCQKEYQCGQPBF-FMKPAKJESA-N 2 1 289.423 2.066 20 0 CEADMP C[C@@H]1C[N@@H+](CCOC2CCCCCC2)CC[C@@H]1[NH3+] ZINC000430921860 377565307 /nfs/dbraw/zinc/56/53/07/377565307.db2.gz VHLNWAAKAWGRMK-HIFRSBDPSA-N 2 1 254.418 2.395 20 0 CEADMP c1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCCC3)C1)C[NH2+]CC2 ZINC000565093422 377555952 /nfs/dbraw/zinc/55/59/52/377555952.db2.gz LPZCQPYWIGPOGL-QGZVFWFLSA-N 3 1 299.462 2.250 20 0 CEADMP c1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)C[NH2+]CC2 ZINC000565093422 377555955 /nfs/dbraw/zinc/55/59/55/377555955.db2.gz LPZCQPYWIGPOGL-QGZVFWFLSA-N 3 1 299.462 2.250 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000685837107 542188867 /nfs/dbraw/zinc/18/88/67/542188867.db2.gz AVIUKBYBTQVCKN-AWEZNQCLSA-N 2 1 258.409 2.285 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C1CCC(C(C)C)CC1 ZINC000565159384 377578165 /nfs/dbraw/zinc/57/81/65/377578165.db2.gz XLWGEIBWAWOIMR-GPANFISMSA-N 2 1 270.461 2.446 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CCC(C(C)C)CC1 ZINC000565159384 377578169 /nfs/dbraw/zinc/57/81/69/377578169.db2.gz XLWGEIBWAWOIMR-GPANFISMSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C1CCC(C(C)C)CC1 ZINC000565159384 377578182 /nfs/dbraw/zinc/57/81/82/377578182.db2.gz XLWGEIBWAWOIMR-GPANFISMSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CCC(C(C)C)CC1 ZINC000565159384 377578188 /nfs/dbraw/zinc/57/81/88/377578188.db2.gz XLWGEIBWAWOIMR-GPANFISMSA-N 2 1 270.461 2.446 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430969191 377580957 /nfs/dbraw/zinc/58/09/57/377580957.db2.gz YTHHQBVZUJKLBS-LSDHHAIUSA-N 2 1 262.397 2.433 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000565158789 377576349 /nfs/dbraw/zinc/57/63/49/377576349.db2.gz ZDMIVTJCQIWWOF-CJNGLKHVSA-N 2 1 282.391 2.455 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000565158789 377576355 /nfs/dbraw/zinc/57/63/55/377576355.db2.gz ZDMIVTJCQIWWOF-CJNGLKHVSA-N 2 1 282.391 2.455 20 0 CEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000332384229 377584431 /nfs/dbraw/zinc/58/44/31/377584431.db2.gz ZITYCEGXFOAYAK-IIAWOOMASA-N 2 1 291.443 2.200 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC000574403927 299493228 /nfs/dbraw/zinc/49/32/28/299493228.db2.gz IVXUVRSIPUNMQG-KRWDZBQOSA-N 2 1 289.423 2.283 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cncnc2)CC1 ZINC000536652976 542211781 /nfs/dbraw/zinc/21/17/81/542211781.db2.gz HEPQWIWBXJBXOM-UHFFFAOYSA-N 2 1 262.401 2.029 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(C3CC3)c2)CCCO1 ZINC000313346549 249393464 /nfs/dbraw/zinc/39/34/64/249393464.db2.gz RVPJLCYZGGMBAV-INIZCTEOSA-N 2 1 260.381 2.114 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(C3CC3)c2)CCCO1 ZINC000313346549 249393468 /nfs/dbraw/zinc/39/34/68/249393468.db2.gz RVPJLCYZGGMBAV-INIZCTEOSA-N 2 1 260.381 2.114 20 0 CEADMP CC(C)[NH2+]CCCN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000566088420 377722199 /nfs/dbraw/zinc/72/21/99/377722199.db2.gz NFJDBEACNNRDMH-AEFFLSMTSA-N 2 1 289.467 2.485 20 0 CEADMP CC(C)[NH2+]CCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000566088420 377722210 /nfs/dbraw/zinc/72/22/10/377722210.db2.gz NFJDBEACNNRDMH-AEFFLSMTSA-N 2 1 289.467 2.485 20 0 CEADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c(C)n2n1 ZINC000293734183 377729336 /nfs/dbraw/zinc/72/93/36/377729336.db2.gz QFYGBDNAHBUZMF-WCQYABFASA-N 2 1 289.427 2.194 20 0 CEADMP CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCO1 ZINC000566132066 377733168 /nfs/dbraw/zinc/73/31/68/377733168.db2.gz SLNHNDXVDDZIQD-PVAVHDDUSA-N 2 1 298.471 2.015 20 0 CEADMP CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCO1 ZINC000566132066 377733172 /nfs/dbraw/zinc/73/31/72/377733172.db2.gz SLNHNDXVDDZIQD-PVAVHDDUSA-N 2 1 298.471 2.015 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000566036747 377711969 /nfs/dbraw/zinc/71/19/69/377711969.db2.gz VQUBVGQZVHSDLO-ZIAGYGMSSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1nc(C)c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)s1 ZINC000432346994 377749253 /nfs/dbraw/zinc/74/92/53/377749253.db2.gz LDLJUNFMQACACE-GFCCVEGCSA-N 2 1 297.468 2.350 20 0 CEADMP Cc1nc(C)c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)s1 ZINC000432346994 377749259 /nfs/dbraw/zinc/74/92/59/377749259.db2.gz LDLJUNFMQACACE-GFCCVEGCSA-N 2 1 297.468 2.350 20 0 CEADMP COC[C@H](CC(C)C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432409610 377757014 /nfs/dbraw/zinc/75/70/14/377757014.db2.gz HJKICRUXAQZXQH-HOTGVXAUSA-N 2 1 286.460 2.138 20 0 CEADMP COC1CCC([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000432408162 377757699 /nfs/dbraw/zinc/75/76/99/377757699.db2.gz AMOXXDJTSROFLS-QQFBHYJXSA-N 2 1 284.444 2.035 20 0 CEADMP COC1CCC([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000432408162 377757706 /nfs/dbraw/zinc/75/77/06/377757706.db2.gz AMOXXDJTSROFLS-QQFBHYJXSA-N 2 1 284.444 2.035 20 0 CEADMP CC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000293815359 377770313 /nfs/dbraw/zinc/77/03/13/377770313.db2.gz VVVAGVNQLOJLNC-WNRNVDISSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000437097097 377838743 /nfs/dbraw/zinc/83/87/43/377838743.db2.gz MXJNDBCWSNOIQP-INMHGKMJSA-N 2 1 287.451 2.225 20 0 CEADMP Cc1ncc(C[N@@H+](C)CCCc2c[nH+]cn2C)s1 ZINC000567058909 377798525 /nfs/dbraw/zinc/79/85/25/377798525.db2.gz IMSWQDIWPLFMSI-UHFFFAOYSA-N 2 1 264.398 2.250 20 0 CEADMP Cc1ncc(C[N@H+](C)CCCc2c[nH+]cn2C)s1 ZINC000567058909 377798530 /nfs/dbraw/zinc/79/85/30/377798530.db2.gz IMSWQDIWPLFMSI-UHFFFAOYSA-N 2 1 264.398 2.250 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000441342566 377936876 /nfs/dbraw/zinc/93/68/76/377936876.db2.gz UBGARHJCDWBBBR-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438540883 377906471 /nfs/dbraw/zinc/90/64/71/377906471.db2.gz MBBOFTBISNEVDG-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438540883 377906477 /nfs/dbraw/zinc/90/64/77/377906477.db2.gz MBBOFTBISNEVDG-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438540883 377906481 /nfs/dbraw/zinc/90/64/81/377906481.db2.gz MBBOFTBISNEVDG-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000442666284 377978691 /nfs/dbraw/zinc/97/86/91/377978691.db2.gz TZUWFKYPVVNXRM-QWHCGFSZSA-N 2 1 250.411 2.448 20 0 CEADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000442666284 377978693 /nfs/dbraw/zinc/97/86/93/377978693.db2.gz TZUWFKYPVVNXRM-QWHCGFSZSA-N 2 1 250.411 2.448 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n[nH]1 ZINC000294348055 377982776 /nfs/dbraw/zinc/98/27/76/377982776.db2.gz ZAAIZLOHHGWPLP-ZDUSSCGKSA-N 2 1 299.422 2.303 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000442918361 378017547 /nfs/dbraw/zinc/01/75/47/378017547.db2.gz GTFZQTYFGGHWGR-ZDUSSCGKSA-N 2 1 285.395 2.033 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000443066385 378032838 /nfs/dbraw/zinc/03/28/38/378032838.db2.gz DPYRDXTYRSARLV-INIZCTEOSA-N 2 1 295.471 2.134 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1-n1cncn1 ZINC000442925778 378020013 /nfs/dbraw/zinc/02/00/13/378020013.db2.gz WTCKKSXOZOLMNL-OAHLLOKOSA-N 2 1 299.422 2.137 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@H](CC[NH3+])C2)CCO1 ZINC000442931844 378020521 /nfs/dbraw/zinc/02/05/21/378020521.db2.gz WTTCYCGJKYOEAO-RBSFLKMASA-N 2 1 254.418 2.252 20 0 CEADMP CC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+]1CCC[C@@H]1CC ZINC000447344907 378104532 /nfs/dbraw/zinc/10/45/32/378104532.db2.gz FKZCYTCUKXIPRT-QDMKHBRRSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCC[C@@H]1CC ZINC000447344907 378104535 /nfs/dbraw/zinc/10/45/35/378104535.db2.gz FKZCYTCUKXIPRT-QDMKHBRRSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCC[C@@H]1CC ZINC000447344907 378104540 /nfs/dbraw/zinc/10/45/40/378104540.db2.gz FKZCYTCUKXIPRT-QDMKHBRRSA-N 2 1 254.418 2.096 20 0 CEADMP COC1CCC([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC000449783534 378232840 /nfs/dbraw/zinc/23/28/40/378232840.db2.gz PRMBVHZQYZPKOW-UHFFFAOYSA-N 2 1 254.418 2.408 20 0 CEADMP COC1CCC([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC000449783534 378232846 /nfs/dbraw/zinc/23/28/46/378232846.db2.gz PRMBVHZQYZPKOW-UHFFFAOYSA-N 2 1 254.418 2.408 20 0 CEADMP CCc1cc(N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000450464285 378433285 /nfs/dbraw/zinc/43/32/85/378433285.db2.gz XLLLBQDJJCJQGP-KRWDZBQOSA-N 2 1 289.423 2.191 20 0 CEADMP CCc1cc(N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000450464285 378433289 /nfs/dbraw/zinc/43/32/89/378433289.db2.gz XLLLBQDJJCJQGP-KRWDZBQOSA-N 2 1 289.423 2.191 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000451090074 378704225 /nfs/dbraw/zinc/70/42/25/378704225.db2.gz GDGHRFVECKGMRI-OAHLLOKOSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000451090074 378704229 /nfs/dbraw/zinc/70/42/29/378704229.db2.gz GDGHRFVECKGMRI-OAHLLOKOSA-N 2 1 290.455 2.388 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000453002227 378769822 /nfs/dbraw/zinc/76/98/22/378769822.db2.gz FBGYZXBNDKEVKK-VYDXJSESSA-N 2 1 276.424 2.035 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000453002227 378769824 /nfs/dbraw/zinc/76/98/24/378769824.db2.gz FBGYZXBNDKEVKK-VYDXJSESSA-N 2 1 276.424 2.035 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000453002227 378769825 /nfs/dbraw/zinc/76/98/25/378769825.db2.gz FBGYZXBNDKEVKK-VYDXJSESSA-N 2 1 276.424 2.035 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCn3ccnc32)C1 ZINC000453059327 378790062 /nfs/dbraw/zinc/79/00/62/378790062.db2.gz MMSPAVGCQDZGTG-LSDHHAIUSA-N 2 1 276.428 2.430 20 0 CEADMP COCC[N@@H+](Cc1cccs1)C[C@H]1CCC[NH2+]C1 ZINC000346843068 218032505 /nfs/dbraw/zinc/03/25/05/218032505.db2.gz JHVCEPIUKAKUKQ-ZDUSSCGKSA-N 2 1 268.426 2.196 20 0 CEADMP COCC[N@H+](Cc1cccs1)C[C@H]1CCC[NH2+]C1 ZINC000346843068 218032507 /nfs/dbraw/zinc/03/25/07/218032507.db2.gz JHVCEPIUKAKUKQ-ZDUSSCGKSA-N 2 1 268.426 2.196 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2cnccn2)C1 ZINC000453103785 378803791 /nfs/dbraw/zinc/80/37/91/378803791.db2.gz DDPJLFPCJFUABW-HUUCEWRRSA-N 2 1 276.428 2.118 20 0 CEADMP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CCOCC1 ZINC000453103352 378804640 /nfs/dbraw/zinc/80/46/40/378804640.db2.gz CBWXXTAQEVHXCP-CVEARBPZSA-N 2 1 298.471 2.281 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cnc([C@H]4CCCO4)s3)C[C@H]12 ZINC000346818991 218021999 /nfs/dbraw/zinc/02/19/99/218021999.db2.gz DKPDDWDSRZSTTO-YXCITZCRSA-N 2 1 293.436 2.164 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc([C@H]4CCCO4)s3)C[C@H]12 ZINC000346818991 218022001 /nfs/dbraw/zinc/02/20/01/218022001.db2.gz DKPDDWDSRZSTTO-YXCITZCRSA-N 2 1 293.436 2.164 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000346824672 218023768 /nfs/dbraw/zinc/02/37/68/218023768.db2.gz CMWJDDFJEJDEBV-FPMFFAJLSA-N 2 1 292.379 2.016 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000346824672 218023772 /nfs/dbraw/zinc/02/37/72/218023772.db2.gz CMWJDDFJEJDEBV-FPMFFAJLSA-N 2 1 292.379 2.016 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000346829939 218029068 /nfs/dbraw/zinc/02/90/68/218029068.db2.gz OQFJOXSGLFLIHT-SJLPKXTDSA-N 2 1 287.451 2.192 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3NCC4)C[C@H]21 ZINC000346833764 218029482 /nfs/dbraw/zinc/02/94/82/218029482.db2.gz MOEIGPZKRHJNIW-FVQBIDKESA-N 2 1 271.408 2.214 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346849897 218036313 /nfs/dbraw/zinc/03/63/13/218036313.db2.gz UHMYOEWONWEMQY-WBAXXEDZSA-N 2 1 296.418 2.350 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]21 ZINC000346855699 218038461 /nfs/dbraw/zinc/03/84/61/218038461.db2.gz VGEUCVGACXCJBO-RYQLBKOJSA-N 2 1 296.418 2.432 20 0 CEADMP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000453311231 378861017 /nfs/dbraw/zinc/86/10/17/378861017.db2.gz SBTLBYGYZUONNV-GOEBONIOSA-N 2 1 261.413 2.252 20 0 CEADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000346860160 218039968 /nfs/dbraw/zinc/03/99/68/218039968.db2.gz IVEFWECWCBQROF-GBJTYRQASA-N 2 1 254.418 2.264 20 0 CEADMP COc1cccnc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000453382994 378880261 /nfs/dbraw/zinc/88/02/61/378880261.db2.gz ZTDLUWMHEFJMCO-GUTXKFCHSA-N 2 1 275.396 2.053 20 0 CEADMP COc1cccnc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000453382994 378880269 /nfs/dbraw/zinc/88/02/69/378880269.db2.gz ZTDLUWMHEFJMCO-GUTXKFCHSA-N 2 1 275.396 2.053 20 0 CEADMP CCN(CC(C)(C)[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000346972677 218073932 /nfs/dbraw/zinc/07/39/32/218073932.db2.gz HLTCWGTVDFERPA-MRXNPFEDSA-N 2 1 275.440 2.320 20 0 CEADMP CC[N@@H+](CCc1nccs1)C[C@H]1CCC[NH2+]C1 ZINC000346994616 218082623 /nfs/dbraw/zinc/08/26/23/218082623.db2.gz UPSXDWOBUSZLCW-LBPRGKRZSA-N 2 1 253.415 2.007 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000453594418 378916302 /nfs/dbraw/zinc/91/63/02/378916302.db2.gz BQIHQRHJZDVRMQ-UHFFFAOYSA-N 2 1 290.407 2.422 20 0 CEADMP COc1cccc(C[NH2+]CCCC[N@@H+](C)C2CC2)n1 ZINC000453601040 378917818 /nfs/dbraw/zinc/91/78/18/378917818.db2.gz SWOJNYBJMPAEBG-UHFFFAOYSA-N 2 1 263.385 2.054 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccncc2)C1 ZINC000347033184 218098239 /nfs/dbraw/zinc/09/82/39/218098239.db2.gz FLCLCNBDDCPJBW-DZGCQCFKSA-N 2 1 299.422 2.041 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1-n1cncn1 ZINC000347050537 218104654 /nfs/dbraw/zinc/10/46/54/218104654.db2.gz QVNNVSQFFDEVDD-ZBFHGGJFSA-N 2 1 299.422 2.135 20 0 CEADMP CCC[N@H+](Cc1cccc(OCC)n1)C1CC[NH2+]CC1 ZINC000347106786 218123002 /nfs/dbraw/zinc/12/30/02/218123002.db2.gz NPIUFQCXCKBAOY-UHFFFAOYSA-N 2 1 277.412 2.444 20 0 CEADMP CCC[N@@H+](Cc1cccc(OCC)n1)C1CC[NH2+]CC1 ZINC000347106786 218123005 /nfs/dbraw/zinc/12/30/05/218123005.db2.gz NPIUFQCXCKBAOY-UHFFFAOYSA-N 2 1 277.412 2.444 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000347110845 218123877 /nfs/dbraw/zinc/12/38/77/218123877.db2.gz OAELMALEZSSVAW-SWLSCSKDSA-N 2 1 278.444 2.469 20 0 CEADMP COc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)n1 ZINC000347061190 218110903 /nfs/dbraw/zinc/11/09/03/218110903.db2.gz YOBJDXGVEGCZDQ-OCCSQVGLSA-N 2 1 277.412 2.266 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278661029 194089619 /nfs/dbraw/zinc/08/96/19/194089619.db2.gz GNICJKNXCKSTMZ-CYBMUJFWSA-N 2 1 295.402 2.120 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278661029 194089622 /nfs/dbraw/zinc/08/96/22/194089622.db2.gz GNICJKNXCKSTMZ-CYBMUJFWSA-N 2 1 295.402 2.120 20 0 CEADMP COC1CC([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000347412009 218225928 /nfs/dbraw/zinc/22/59/28/218225928.db2.gz FZCJZXUGDMSBHW-NFOMZHRRSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cncc(F)c1 ZINC000300411270 379167117 /nfs/dbraw/zinc/16/71/17/379167117.db2.gz MHAPCRQOOHUEEJ-CQDKDKBSSA-N 2 1 263.360 2.498 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cncc(F)c1 ZINC000300411270 379167124 /nfs/dbraw/zinc/16/71/24/379167124.db2.gz MHAPCRQOOHUEEJ-CQDKDKBSSA-N 2 1 263.360 2.498 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC2(O)CCCC2)C1 ZINC000514931953 379164776 /nfs/dbraw/zinc/16/47/76/379164776.db2.gz KOYCCRLKNNTPRV-CQSZACIVSA-N 2 1 254.418 2.002 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000515068876 379184851 /nfs/dbraw/zinc/18/48/51/379184851.db2.gz OPPQMUXBRVUDFU-CAOSSQGBSA-N 2 1 268.445 2.200 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000515068876 379184858 /nfs/dbraw/zinc/18/48/58/379184858.db2.gz OPPQMUXBRVUDFU-CAOSSQGBSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000515068876 379184863 /nfs/dbraw/zinc/18/48/63/379184863.db2.gz OPPQMUXBRVUDFU-CAOSSQGBSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000515068876 379184870 /nfs/dbraw/zinc/18/48/70/379184870.db2.gz OPPQMUXBRVUDFU-CAOSSQGBSA-N 2 1 268.445 2.200 20 0 CEADMP CCC(CC)(CO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000300413339 379169948 /nfs/dbraw/zinc/16/99/48/379169948.db2.gz AUNNIHTYJVFWHK-HZSPNIEDSA-N 2 1 256.434 2.103 20 0 CEADMP CCS[C@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000300678108 379179374 /nfs/dbraw/zinc/17/93/74/379179374.db2.gz YFFJZZZPGMWBBD-STQMWFEESA-N 2 1 253.415 2.455 20 0 CEADMP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000278879174 194194030 /nfs/dbraw/zinc/19/40/30/194194030.db2.gz CLBSJUYLCWBETF-KGLIPLIRSA-N 2 1 270.380 2.500 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+]CCC[NH+]1CCC1 ZINC000516490936 379287576 /nfs/dbraw/zinc/28/75/76/379287576.db2.gz QBXQVUGTULTGFN-UHFFFAOYSA-N 2 1 284.407 2.366 20 0 CEADMP CCc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000302396616 379367381 /nfs/dbraw/zinc/36/73/81/379367381.db2.gz JDPVZLBPCDUEEW-CQSZACIVSA-N 2 1 299.418 2.300 20 0 CEADMP CCn1ccnc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000520660585 379497547 /nfs/dbraw/zinc/49/75/47/379497547.db2.gz YYWVAMPRIGHZCW-HNNXBMFYSA-N 2 1 276.428 2.067 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)CO)[C@@H](C)C1 ZINC000305174472 379670922 /nfs/dbraw/zinc/67/09/22/379670922.db2.gz UZYGORAKEHGAJQ-KBPBESRZSA-N 2 1 256.434 2.105 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCCC(=O)CC)C1 ZINC000347737157 218340233 /nfs/dbraw/zinc/34/02/33/218340233.db2.gz PDUSDWDLJACFSB-CQSZACIVSA-N 2 1 254.418 2.409 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCC(=O)CC)C1 ZINC000347737157 218340234 /nfs/dbraw/zinc/34/02/34/218340234.db2.gz PDUSDWDLJACFSB-CQSZACIVSA-N 2 1 254.418 2.409 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCC(=O)CC)C1 ZINC000347737157 218340237 /nfs/dbraw/zinc/34/02/37/218340237.db2.gz PDUSDWDLJACFSB-CQSZACIVSA-N 2 1 254.418 2.409 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCC(=O)CC)C1 ZINC000347737157 218340239 /nfs/dbraw/zinc/34/02/39/218340239.db2.gz PDUSDWDLJACFSB-CQSZACIVSA-N 2 1 254.418 2.409 20 0 CEADMP COc1cccc([C@H](C[NH2+]C2CC[NH+](C)CC2)OC)c1 ZINC000527739991 379803754 /nfs/dbraw/zinc/80/37/54/379803754.db2.gz PXJFJVUIKPHERL-INIZCTEOSA-N 2 1 278.396 2.067 20 0 CEADMP CCC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)OCC ZINC000527741694 379806070 /nfs/dbraw/zinc/80/60/70/379806070.db2.gz APPJJQSWRBUSNI-RRFJBIMHSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1cc[nH+]c(N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000347750852 218344874 /nfs/dbraw/zinc/34/48/74/218344874.db2.gz IKLATARVALDARF-UHFFFAOYSA-N 2 1 289.423 2.329 20 0 CEADMP Cc1cccc([C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C(C)C)c1 ZINC000527889943 379839277 /nfs/dbraw/zinc/83/92/77/379839277.db2.gz JZDVXOYVCUNOTM-DLBZAZTESA-N 2 1 276.424 2.348 20 0 CEADMP Cc1cccc([C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C(C)C)c1 ZINC000527889943 379839285 /nfs/dbraw/zinc/83/92/85/379839285.db2.gz JZDVXOYVCUNOTM-DLBZAZTESA-N 2 1 276.424 2.348 20 0 CEADMP CC(C)[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CS1 ZINC000488444250 380094410 /nfs/dbraw/zinc/09/44/10/380094410.db2.gz CPIYIBVXSSZUQS-ZIAGYGMSSA-N 2 1 254.443 2.368 20 0 CEADMP CC(C)c1nc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)no1 ZINC000333865877 380167163 /nfs/dbraw/zinc/16/71/63/380167163.db2.gz QZAPHXPJFIHAHP-OLZOCXBDSA-N 2 1 278.400 2.330 20 0 CEADMP CC(C)c1nc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)no1 ZINC000333865877 380167171 /nfs/dbraw/zinc/16/71/71/380167171.db2.gz QZAPHXPJFIHAHP-OLZOCXBDSA-N 2 1 278.400 2.330 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1(C(=O)OC)CCC1 ZINC000543707106 380336902 /nfs/dbraw/zinc/33/69/02/380336902.db2.gz QBXNBAPHUDLDFO-KBPBESRZSA-N 2 1 282.428 2.040 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)nc1 ZINC000334442893 380420704 /nfs/dbraw/zinc/42/07/04/380420704.db2.gz LVUHDOJQXIHCMI-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)nc1 ZINC000334442893 380420710 /nfs/dbraw/zinc/42/07/10/380420710.db2.gz LVUHDOJQXIHCMI-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)nc1 ZINC000334442893 380420717 /nfs/dbraw/zinc/42/07/17/380420717.db2.gz LVUHDOJQXIHCMI-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)nc1 ZINC000334442893 380420721 /nfs/dbraw/zinc/42/07/21/380420721.db2.gz LVUHDOJQXIHCMI-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CC=C(C)CC2)CC1 ZINC000551267252 380639742 /nfs/dbraw/zinc/63/97/42/380639742.db2.gz AJFIRHUXDZFQQG-AWEZNQCLSA-N 2 1 252.402 2.186 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000549131669 380592138 /nfs/dbraw/zinc/59/21/38/380592138.db2.gz TYGBXFCTJFTQLP-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC2Cc3ccccc3C2)CC1 ZINC000552557758 380708940 /nfs/dbraw/zinc/70/89/40/380708940.db2.gz ZJRCFKQEZBUMBN-UHFFFAOYSA-N 2 1 288.435 2.102 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000555073827 380807217 /nfs/dbraw/zinc/80/72/17/380807217.db2.gz SJVGXAGVEJTFTE-LBPRGKRZSA-N 2 1 273.327 2.285 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000555073827 380807220 /nfs/dbraw/zinc/80/72/20/380807220.db2.gz SJVGXAGVEJTFTE-LBPRGKRZSA-N 2 1 273.327 2.285 20 0 CEADMP CCc1ncc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)s1 ZINC000037924658 542284222 /nfs/dbraw/zinc/28/42/22/542284222.db2.gz VYPHOCIZIAGFEW-LLVKDONJSA-N 2 1 253.415 2.137 20 0 CEADMP CCc1ncc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)s1 ZINC000037924658 542284225 /nfs/dbraw/zinc/28/42/25/542284225.db2.gz VYPHOCIZIAGFEW-LLVKDONJSA-N 2 1 253.415 2.137 20 0 CEADMP Fc1cc(Br)cc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000334845650 207175606 /nfs/dbraw/zinc/17/56/06/207175606.db2.gz ZRBMKNTZRPQTQQ-UHFFFAOYSA-N 2 1 287.176 2.430 20 0 CEADMP CSc1ccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357066875 532985061 /nfs/dbraw/zinc/98/50/61/532985061.db2.gz CUBAQDJZYMOZNF-KGLIPLIRSA-N 2 1 292.448 2.329 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357066875 532985067 /nfs/dbraw/zinc/98/50/67/532985067.db2.gz CUBAQDJZYMOZNF-KGLIPLIRSA-N 2 1 292.448 2.329 20 0 CEADMP FCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000281014175 195069297 /nfs/dbraw/zinc/06/92/97/195069297.db2.gz LQPOECGBAODTKY-OWCLPIDISA-N 2 1 262.372 2.456 20 0 CEADMP COC1([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)CCC1 ZINC000412025650 533017165 /nfs/dbraw/zinc/01/71/65/533017165.db2.gz QJNGGTLNKUNCMV-GFCCVEGCSA-N 2 1 251.374 2.129 20 0 CEADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1F ZINC000335258054 208042681 /nfs/dbraw/zinc/04/26/81/208042681.db2.gz QMYCNZODVVCLLE-HNNXBMFYSA-N 2 1 292.398 2.321 20 0 CEADMP Fc1cc(F)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000335270266 208068544 /nfs/dbraw/zinc/06/85/44/208068544.db2.gz UHZZNZORLFGZBW-BETUJISGSA-N 2 1 266.335 2.396 20 0 CEADMP Cc1cccnc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335276517 208083256 /nfs/dbraw/zinc/08/32/56/208083256.db2.gz FDVCMXMYYQEWPR-CQSZACIVSA-N 2 1 259.397 2.354 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000335336860 208219792 /nfs/dbraw/zinc/21/97/92/208219792.db2.gz VAQYOPKRLPPMGQ-SMDDNHRTSA-N 2 1 258.369 2.122 20 0 CEADMP Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000335344767 208236932 /nfs/dbraw/zinc/23/69/32/208236932.db2.gz YEBGRKJJJQYFAL-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000335344767 208236935 /nfs/dbraw/zinc/23/69/35/208236935.db2.gz YEBGRKJJJQYFAL-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000335344767 208236938 /nfs/dbraw/zinc/23/69/38/208236938.db2.gz YEBGRKJJJQYFAL-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000335344767 208236941 /nfs/dbraw/zinc/23/69/41/208236941.db2.gz YEBGRKJJJQYFAL-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP CC1(C)Cc2cc(C[NH+]3CCC([NH3+])CC3)ccc2O1 ZINC000335394976 208362241 /nfs/dbraw/zinc/36/22/41/208362241.db2.gz POLBQNHSEWEVFV-UHFFFAOYSA-N 2 1 260.381 2.323 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000392252352 542375279 /nfs/dbraw/zinc/37/52/79/542375279.db2.gz VCLDXZSQDPISFS-HNNXBMFYSA-N 2 1 257.381 2.311 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnn3ccccc23)[C@H](C)C1 ZINC000353863961 220374109 /nfs/dbraw/zinc/37/41/09/220374109.db2.gz HERGENOSLKOBBF-UKRRQHHQSA-N 2 1 272.396 2.154 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnn3ccccc23)[C@H](C)C1 ZINC000353863961 220374114 /nfs/dbraw/zinc/37/41/14/220374114.db2.gz HERGENOSLKOBBF-UKRRQHHQSA-N 2 1 272.396 2.154 20 0 CEADMP Cc1cncc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282193972 195533586 /nfs/dbraw/zinc/53/35/86/195533586.db2.gz GJJBWJCUYUBOGQ-HNNXBMFYSA-N 2 1 290.455 2.067 20 0 CEADMP C(COCC1CCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000313254127 533367336 /nfs/dbraw/zinc/36/73/36/533367336.db2.gz OHEZAXCNXVVKRL-JKSUJKDBSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]([NH2+]C1(CO)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357238619 533328260 /nfs/dbraw/zinc/32/82/60/533328260.db2.gz QNYHWLVUASQXFJ-GDBMZVCRSA-N 2 1 274.408 2.012 20 0 CEADMP Cc1cncc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000299931876 394453017 /nfs/dbraw/zinc/45/30/17/394453017.db2.gz NWWLAZWELUASKA-JKSUJKDBSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cncc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000299931876 394453019 /nfs/dbraw/zinc/45/30/19/394453019.db2.gz NWWLAZWELUASKA-JKSUJKDBSA-N 2 1 259.397 2.354 20 0 CEADMP CCCN(C)CC(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000355587537 394469346 /nfs/dbraw/zinc/46/93/46/394469346.db2.gz ARKUIUHIPMXASR-UHFFFAOYSA-N 2 1 272.352 2.357 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000226396672 394470661 /nfs/dbraw/zinc/47/06/61/394470661.db2.gz JNCQDSGBXUBRSJ-CQSZACIVSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000421372525 394515276 /nfs/dbraw/zinc/51/52/76/394515276.db2.gz DGARSMSJNZXZFV-KBPBESRZSA-N 2 1 263.385 2.195 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246436044 394515469 /nfs/dbraw/zinc/51/54/69/394515469.db2.gz CUVAIQIBUVQEPH-GOEBONIOSA-N 2 1 294.439 2.277 20 0 CEADMP CC(C)OC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246436044 394515471 /nfs/dbraw/zinc/51/54/71/394515471.db2.gz CUVAIQIBUVQEPH-GOEBONIOSA-N 2 1 294.439 2.277 20 0 CEADMP CC(C)OC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246436044 394515473 /nfs/dbraw/zinc/51/54/73/394515473.db2.gz CUVAIQIBUVQEPH-GOEBONIOSA-N 2 1 294.439 2.277 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000305132657 394494679 /nfs/dbraw/zinc/49/46/79/394494679.db2.gz NLMHLFRQVPNSLX-AHCXZYCDSA-N 2 1 290.451 2.471 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000250965708 394565795 /nfs/dbraw/zinc/56/57/95/394565795.db2.gz XXDSOAWQHLKGJH-SWLSCSKDSA-N 2 1 263.385 2.100 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000356675339 394584954 /nfs/dbraw/zinc/58/49/54/394584954.db2.gz KLULKWCWOCLADX-APIJFGDWSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246556468 394518489 /nfs/dbraw/zinc/51/84/89/394518489.db2.gz KSLBAXQYRXWZIF-HOCLYGCPSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246556468 394518494 /nfs/dbraw/zinc/51/84/94/394518494.db2.gz KSLBAXQYRXWZIF-HOCLYGCPSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246556468 394518497 /nfs/dbraw/zinc/51/84/97/394518497.db2.gz KSLBAXQYRXWZIF-HOCLYGCPSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)C[C@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000307808726 394523106 /nfs/dbraw/zinc/52/31/06/394523106.db2.gz MRYNAMIOZCDOOG-LLVKDONJSA-N 2 1 266.389 2.131 20 0 CEADMP CC(C)C[C@H]1CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000307808726 394523113 /nfs/dbraw/zinc/52/31/13/394523113.db2.gz MRYNAMIOZCDOOG-LLVKDONJSA-N 2 1 266.389 2.131 20 0 CEADMP COC[C@@H](Cc1ccccc1)[N@H+](C)CCn1cc[nH+]c1C ZINC000355778368 394529604 /nfs/dbraw/zinc/52/96/04/394529604.db2.gz DNXUCIXVESNDHY-QGZVFWFLSA-N 2 1 287.407 2.381 20 0 CEADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)CCn1cc[nH+]c1C ZINC000355778368 394529608 /nfs/dbraw/zinc/52/96/08/394529608.db2.gz DNXUCIXVESNDHY-QGZVFWFLSA-N 2 1 287.407 2.381 20 0 CEADMP CC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000311094058 394536057 /nfs/dbraw/zinc/53/60/57/394536057.db2.gz QMCVMOITIBQIGQ-HIFRSBDPSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@@H]1CCCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000311094058 394536060 /nfs/dbraw/zinc/53/60/60/394536060.db2.gz QMCVMOITIBQIGQ-HIFRSBDPSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@@H]1CCCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000311094058 394536062 /nfs/dbraw/zinc/53/60/62/394536062.db2.gz QMCVMOITIBQIGQ-HIFRSBDPSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@@H]1CCCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000311094058 394536064 /nfs/dbraw/zinc/53/60/64/394536064.db2.gz QMCVMOITIBQIGQ-HIFRSBDPSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@H]1CCCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000311094056 394536182 /nfs/dbraw/zinc/53/61/82/394536182.db2.gz QMCVMOITIBQIGQ-DZGCQCFKSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@H]1CCCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000311094056 394536183 /nfs/dbraw/zinc/53/61/83/394536183.db2.gz QMCVMOITIBQIGQ-DZGCQCFKSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@H]1CCCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000311094056 394536186 /nfs/dbraw/zinc/53/61/86/394536186.db2.gz QMCVMOITIBQIGQ-DZGCQCFKSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@H]1CCCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000311094056 394536189 /nfs/dbraw/zinc/53/61/89/394536189.db2.gz QMCVMOITIBQIGQ-DZGCQCFKSA-N 2 1 254.418 2.096 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000312398748 394541545 /nfs/dbraw/zinc/54/15/45/394541545.db2.gz URTRHLCBCHSZEF-JYJNAYRXSA-N 2 1 276.428 2.124 20 0 CEADMP CC[C@H]1C[C@H](C[N@@H+](C)CC2CC[NH+](C)CC2)CCO1 ZINC000356967968 394666364 /nfs/dbraw/zinc/66/63/64/394666364.db2.gz PLRAGSSAJUEFLD-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP COc1ccccc1CC[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000258873246 394599121 /nfs/dbraw/zinc/59/91/21/394599121.db2.gz AWNNYEZEAVTSND-CQSZACIVSA-N 2 1 262.397 2.169 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000356839472 394627999 /nfs/dbraw/zinc/62/79/99/394627999.db2.gz UPQOSHRGWBUBSI-ZDUSSCGKSA-N 2 1 292.427 2.085 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356879445 394641174 /nfs/dbraw/zinc/64/11/74/394641174.db2.gz TXIHRQGTAPYZKG-NFAWXSAZSA-N 2 1 265.401 2.232 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NCC[N@@H+](C)C1CCCCC1 ZINC000422706287 394729811 /nfs/dbraw/zinc/72/98/11/394729811.db2.gz UCFAXUCFHZSWEZ-ZBFHGGJFSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000422736787 394748863 /nfs/dbraw/zinc/74/88/63/394748863.db2.gz GSDXYZPKOJMAAL-GRDNDAEWSA-N 2 1 275.440 2.017 20 0 CEADMP COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)[C@H]3CCC[NH2+]3)C2)c1 ZINC000422715106 394736144 /nfs/dbraw/zinc/73/61/44/394736144.db2.gz RPMOYROMQAWFRI-JJRVBVJISA-N 2 1 289.423 2.004 20 0 CEADMP CO[C@@](C)([C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000414241391 394737655 /nfs/dbraw/zinc/73/76/55/394737655.db2.gz OOUDNNGKHBPAGX-WBMJQRKESA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000334320976 394674232 /nfs/dbraw/zinc/67/42/32/394674232.db2.gz HJBTXOQPLQDZEK-SFXRXQKFSA-N 2 1 250.308 2.257 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000334320976 394674235 /nfs/dbraw/zinc/67/42/35/394674235.db2.gz HJBTXOQPLQDZEK-SFXRXQKFSA-N 2 1 250.308 2.257 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3CCOC3)C2)CC1 ZINC000334443003 394685581 /nfs/dbraw/zinc/68/55/81/394685581.db2.gz AOMIHFUOKGYJSY-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@@H]3CCOC3)C2)CC1 ZINC000334443003 394685587 /nfs/dbraw/zinc/68/55/87/394685587.db2.gz AOMIHFUOKGYJSY-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP COc1ccc(C[N@@H+](CCOCC[NH3+])[C@H](C)C2CC2)cc1 ZINC000357030673 394686887 /nfs/dbraw/zinc/68/68/87/394686887.db2.gz PNFAFNGKBPROPG-CQSZACIVSA-N 2 1 292.423 2.271 20 0 CEADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCOCC[NH3+] ZINC000357036317 394689154 /nfs/dbraw/zinc/68/91/54/394689154.db2.gz XHFXMWSODGMREF-GFCCVEGCSA-N 2 1 262.353 2.401 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000414096211 394701682 /nfs/dbraw/zinc/70/16/82/394701682.db2.gz HOVKMVFFLHLCNP-GUTXKFCHSA-N 2 1 277.412 2.094 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000414096211 394701684 /nfs/dbraw/zinc/70/16/84/394701684.db2.gz HOVKMVFFLHLCNP-GUTXKFCHSA-N 2 1 277.412 2.094 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2C)[C@@H](C)C1 ZINC000268939793 394702991 /nfs/dbraw/zinc/70/29/91/394702991.db2.gz SIPKTOQOGMFAKV-BHYGNILZSA-N 2 1 276.424 2.348 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000414123964 394708629 /nfs/dbraw/zinc/70/86/29/394708629.db2.gz CIKHJSZKAXOPKI-ZBFHGGJFSA-N 2 1 291.439 2.485 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000414123964 394708630 /nfs/dbraw/zinc/70/86/30/394708630.db2.gz CIKHJSZKAXOPKI-ZBFHGGJFSA-N 2 1 291.439 2.485 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000358158652 394711041 /nfs/dbraw/zinc/71/10/41/394711041.db2.gz BBIFMDVROLIFSS-ZBCRRDGASA-N 2 1 268.445 2.248 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000358158652 394711045 /nfs/dbraw/zinc/71/10/45/394711045.db2.gz BBIFMDVROLIFSS-ZBCRRDGASA-N 2 1 268.445 2.248 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]CCC(C)(C)C)CC1(C)C ZINC000104140371 394717917 /nfs/dbraw/zinc/71/79/17/394717917.db2.gz XUSYHALPBARLKS-UHFFFAOYSA-N 2 1 255.450 2.038 20 0 CEADMP Cc1cccc2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cn21 ZINC000422634894 394722201 /nfs/dbraw/zinc/72/22/01/394722201.db2.gz KOVQLPRGTJOLSJ-YUELXQCFSA-N 2 1 286.423 2.448 20 0 CEADMP Cc1cccc2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cn21 ZINC000422634894 394722203 /nfs/dbraw/zinc/72/22/03/394722203.db2.gz KOVQLPRGTJOLSJ-YUELXQCFSA-N 2 1 286.423 2.448 20 0 CEADMP COC(=O)c1ccccc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422638218 394722576 /nfs/dbraw/zinc/72/25/76/394722576.db2.gz PZNZEWBDZJWSBF-GUTXKFCHSA-N 2 1 290.407 2.278 20 0 CEADMP COC(=O)c1ccccc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422638218 394722582 /nfs/dbraw/zinc/72/25/82/394722582.db2.gz PZNZEWBDZJWSBF-GUTXKFCHSA-N 2 1 290.407 2.278 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422699877 394725829 /nfs/dbraw/zinc/72/58/29/394725829.db2.gz BMIHPUZCNXCWGE-XHSDSOJGSA-N 3 1 276.428 2.092 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc2c[nH+]cn2c1 ZINC000414194918 394727775 /nfs/dbraw/zinc/72/77/75/394727775.db2.gz WEYJDHDGXPMTEJ-DVOMOZLQSA-N 2 1 272.396 2.153 20 0 CEADMP CC(C)COc1ccccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422739709 394750575 /nfs/dbraw/zinc/75/05/75/394750575.db2.gz MASQLPDEGHRZLU-ZDUSSCGKSA-N 2 1 262.397 2.419 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000414750587 394750965 /nfs/dbraw/zinc/75/09/65/394750965.db2.gz YGFVMPOKCCKJQK-KBPBESRZSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422743281 394752861 /nfs/dbraw/zinc/75/28/61/394752861.db2.gz RGRZVNXDCZSHFR-NJAFHUGGSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@@H+](C)C1CCCC1 ZINC000422742175 394752959 /nfs/dbraw/zinc/75/29/59/394752959.db2.gz POFLRJRIFKRWPN-MAUKXSAKSA-N 2 1 289.467 2.409 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422744205 394754338 /nfs/dbraw/zinc/75/43/38/394754338.db2.gz SONSBYDEAWTTII-OWCLPIDISA-N 2 1 267.461 2.356 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000422743374 394754405 /nfs/dbraw/zinc/75/44/05/394754405.db2.gz IJOKNPBKYBIDHS-CYBMUJFWSA-N 2 1 281.419 2.494 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000422746615 394755538 /nfs/dbraw/zinc/75/55/38/394755538.db2.gz NYGFBKOMGLTBIB-SUMWQHHRSA-N 2 1 293.430 2.365 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@H]2CCC[NH2+]C2)C1 ZINC000414833908 394761298 /nfs/dbraw/zinc/76/12/98/394761298.db2.gz RUQCJBBDZJQVHL-RYRKJORJSA-N 2 1 287.451 2.411 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000414833908 394761302 /nfs/dbraw/zinc/76/13/02/394761302.db2.gz RUQCJBBDZJQVHL-RYRKJORJSA-N 2 1 287.451 2.411 20 0 CEADMP C[C@H]([NH2+]CCOc1ccccc1F)c1c[nH+]ccc1N ZINC000422758157 394763284 /nfs/dbraw/zinc/76/32/84/394763284.db2.gz NPNIIGDSCPATOD-NSHDSACASA-N 2 1 275.327 2.363 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OC)cc1Cl ZINC000414842642 394765892 /nfs/dbraw/zinc/76/58/92/394765892.db2.gz PHQXMJILDKMUFM-SNVBAGLBSA-N 2 1 256.777 2.294 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)C1C[NH2+]C1 ZINC000422763053 394766984 /nfs/dbraw/zinc/76/69/84/394766984.db2.gz OLIRLRJBXDHWSS-ABAIWWIYSA-N 2 1 281.831 2.140 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1nc2ccc(OC)cc2s1 ZINC000414845297 394767278 /nfs/dbraw/zinc/76/72/78/394767278.db2.gz SCQYLRSAZFJYLM-JTQLQIEISA-N 2 1 279.409 2.250 20 0 CEADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414850030 394770242 /nfs/dbraw/zinc/77/02/42/394770242.db2.gz RXAHPYVCMONYAF-UONOGXRCSA-N 2 1 275.396 2.054 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1C[NH2+]C1 ZINC000422840188 394823260 /nfs/dbraw/zinc/82/32/60/394823260.db2.gz SFWXWJKBUJQZQJ-MPGHIAIKSA-N 2 1 287.451 2.237 20 0 CEADMP COCCOc1ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000414854732 394772243 /nfs/dbraw/zinc/77/22/43/394772243.db2.gz VGLYUNMEXKTIDC-OAHLLOKOSA-N 2 1 280.412 2.175 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]CC1([NH3+])CCCCCC1 ZINC000414858026 394774776 /nfs/dbraw/zinc/77/47/76/394774776.db2.gz HLVQXSDBQRUIES-UHFFFAOYSA-N 2 1 250.390 2.168 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc(Cl)c1OC ZINC000414955632 394823531 /nfs/dbraw/zinc/82/35/31/394823531.db2.gz MINMEZNYQZGUOA-ZWNOBZJWSA-N 2 1 298.814 2.445 20 0 CEADMP COc1cc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)ccc1C ZINC000422776478 394776711 /nfs/dbraw/zinc/77/67/11/394776711.db2.gz DRPJSDXSQGETEB-WFASDCNBSA-N 2 1 262.397 2.134 20 0 CEADMP Cc1ccc(O[C@@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422780397 394779567 /nfs/dbraw/zinc/77/95/67/394779567.db2.gz DFCPOZKGJWAWEK-DZKIICNBSA-N 2 1 262.397 2.492 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000359944478 394781569 /nfs/dbraw/zinc/78/15/69/394781569.db2.gz UUEBWGPICQEATM-ZACQAIPSSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000359944478 394781572 /nfs/dbraw/zinc/78/15/72/394781572.db2.gz UUEBWGPICQEATM-ZACQAIPSSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000359944478 394781576 /nfs/dbraw/zinc/78/15/76/394781576.db2.gz UUEBWGPICQEATM-ZACQAIPSSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCN(C)C[C@H]2C)C1 ZINC000359944478 394781580 /nfs/dbraw/zinc/78/15/80/394781580.db2.gz UUEBWGPICQEATM-ZACQAIPSSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCN(C)C[C@H]2C)C1 ZINC000359944478 394781586 /nfs/dbraw/zinc/78/15/86/394781586.db2.gz UUEBWGPICQEATM-ZACQAIPSSA-N 2 1 281.488 2.428 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H](C)c1nccs1 ZINC000273124483 394783156 /nfs/dbraw/zinc/78/31/56/394783156.db2.gz RXAZIFHDWWBRRM-NSHDSACASA-N 2 1 264.398 2.384 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H](C)c1nccs1 ZINC000273124483 394783162 /nfs/dbraw/zinc/78/31/62/394783162.db2.gz RXAZIFHDWWBRRM-NSHDSACASA-N 2 1 264.398 2.384 20 0 CEADMP CCCn1c(C[NH2+][C@H](C)CC[NH3+])nc2ccccc21 ZINC000414880402 394785626 /nfs/dbraw/zinc/78/56/26/394785626.db2.gz JSMXQPGLMWKTSJ-GFCCVEGCSA-N 2 1 260.385 2.273 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(OCC(F)F)cc2)CCC1 ZINC000414888253 394789379 /nfs/dbraw/zinc/78/93/79/394789379.db2.gz RDTGAYSZAXKJNC-UHFFFAOYSA-N 2 1 270.323 2.302 20 0 CEADMP C[C@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414890523 394790001 /nfs/dbraw/zinc/79/00/01/394790001.db2.gz MWUVIBAJXCKTOM-SZMVWBNQSA-N 2 1 287.451 2.381 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1cccc(OC(F)F)c1)C1CC1 ZINC000414895001 394792822 /nfs/dbraw/zinc/79/28/22/394792822.db2.gz MHKDQEUYGHWZAJ-GFCCVEGCSA-N 2 1 256.296 2.115 20 0 CEADMP COCCOc1ccccc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414896457 394793456 /nfs/dbraw/zinc/79/34/56/394793456.db2.gz BWJVIOYPZQNITM-QGZVFWFLSA-N 2 1 292.423 2.191 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cncs1 ZINC000361356315 394824552 /nfs/dbraw/zinc/82/45/52/394824552.db2.gz LWJWEDHJPBLLSR-STQMWFEESA-N 2 1 283.441 2.031 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1ccc(F)c2cccnc12)C1CC1 ZINC000414895329 394793903 /nfs/dbraw/zinc/79/39/03/394793903.db2.gz NCFDAZGAGZPESD-CQSZACIVSA-N 2 1 259.328 2.201 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NCCC[N@@H+](C)C1CCCCC1 ZINC000422804115 394799024 /nfs/dbraw/zinc/79/90/24/394799024.db2.gz KAPYNLBFBQVQQS-UONOGXRCSA-N 2 1 255.450 2.356 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000422804115 394799027 /nfs/dbraw/zinc/79/90/27/394799027.db2.gz KAPYNLBFBQVQQS-UONOGXRCSA-N 3 1 255.450 2.356 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000422804115 394799029 /nfs/dbraw/zinc/79/90/29/394799029.db2.gz KAPYNLBFBQVQQS-UONOGXRCSA-N 3 1 255.450 2.356 20 0 CEADMP COc1cc2c(c(C[NH2+]CC[C@H]3CCC[NH2+]3)c1)O[C@H](C)C2 ZINC000414908465 394800042 /nfs/dbraw/zinc/80/00/42/394800042.db2.gz RWTQEHWIEWVECV-IUODEOHRSA-N 2 1 290.407 2.250 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000414912536 394801211 /nfs/dbraw/zinc/80/12/11/394801211.db2.gz YLLRUBBFMJIQSJ-CGTJXYLNSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414912536 394801213 /nfs/dbraw/zinc/80/12/13/394801213.db2.gz YLLRUBBFMJIQSJ-CGTJXYLNSA-N 2 1 287.451 2.239 20 0 CEADMP COc1ccc(C)cc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414913827 394801576 /nfs/dbraw/zinc/80/15/76/394801576.db2.gz WZFABHTXLGBCIM-MRXNPFEDSA-N 2 1 262.397 2.483 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000414923475 394805116 /nfs/dbraw/zinc/80/51/16/394805116.db2.gz HGSPEQJTDOLRBJ-FZCLSBEQSA-N 2 1 287.451 2.410 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000422818510 394809845 /nfs/dbraw/zinc/80/98/45/394809845.db2.gz GNRIXKKSKKYFDP-KGLIPLIRSA-N 3 1 267.461 2.499 20 0 CEADMP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000422822925 394812999 /nfs/dbraw/zinc/81/29/99/394812999.db2.gz BWFSVSCLRRHTEE-UONOGXRCSA-N 2 1 278.396 2.453 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414942001 394814225 /nfs/dbraw/zinc/81/42/25/394814225.db2.gz DGYTXTLRIAGDRS-BXUZGUMPSA-N 2 1 278.444 2.485 20 0 CEADMP C[C@@H]([NH2+]CCOCc1ccccc1)c1c[nH+]ccc1N ZINC000422827209 394816142 /nfs/dbraw/zinc/81/61/42/394816142.db2.gz RVYKOACWODPBDU-CYBMUJFWSA-N 2 1 271.364 2.362 20 0 CEADMP Cc1nc(COc2ccc(C[NH2+][C@@H](C)C[NH3+])cc2)cs1 ZINC000414946509 394816927 /nfs/dbraw/zinc/81/69/27/394816927.db2.gz SKMIAMASSXNUBW-NSHDSACASA-N 2 1 291.420 2.467 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422830140 394817048 /nfs/dbraw/zinc/81/70/48/394817048.db2.gz IDDVBISFZHHYTB-ZACQAIPSSA-N 2 1 273.424 2.120 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422830140 394817053 /nfs/dbraw/zinc/81/70/53/394817053.db2.gz IDDVBISFZHHYTB-ZACQAIPSSA-N 2 1 273.424 2.120 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000122720967 394817419 /nfs/dbraw/zinc/81/74/19/394817419.db2.gz GRLCZBNEIZEAJV-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422833864 394818962 /nfs/dbraw/zinc/81/89/62/394818962.db2.gz HBVBHHFPZZMJLI-CJNGLKHVSA-N 3 1 265.445 2.110 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422836355 394819940 /nfs/dbraw/zinc/81/99/40/394819940.db2.gz JSYUMYLVULCRTR-NVXWUHKLSA-N 3 1 281.488 2.332 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000414952244 394821625 /nfs/dbraw/zinc/82/16/25/394821625.db2.gz IMXWHPONJVTZAF-QWHCGFSZSA-N 2 1 280.412 2.222 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000422985419 394873703 /nfs/dbraw/zinc/87/37/03/394873703.db2.gz DRLKMWXSLILIAG-CYBMUJFWSA-N 2 1 290.455 2.372 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415072407 394875935 /nfs/dbraw/zinc/87/59/35/394875935.db2.gz LXOXXJFPVGJTAR-OCCSQVGLSA-N 2 1 250.361 2.488 20 0 CEADMP CC(C)C[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000336811091 394878427 /nfs/dbraw/zinc/87/84/27/394878427.db2.gz LADFYMPKHMRMLN-MRXNPFEDSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000336811091 394878432 /nfs/dbraw/zinc/87/84/32/394878432.db2.gz LADFYMPKHMRMLN-MRXNPFEDSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000336811091 394878437 /nfs/dbraw/zinc/87/84/37/394878437.db2.gz LADFYMPKHMRMLN-MRXNPFEDSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000336811091 394878441 /nfs/dbraw/zinc/87/84/41/394878441.db2.gz LADFYMPKHMRMLN-MRXNPFEDSA-N 2 1 268.445 2.342 20 0 CEADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCCO3)CC[NH2+]2)cc1 ZINC000415076543 394878551 /nfs/dbraw/zinc/87/85/51/394878551.db2.gz CTXPNEOSUAFLDW-XHSDSOJGSA-N 2 1 260.381 2.248 20 0 CEADMP Cn1nccc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000336825396 394880563 /nfs/dbraw/zinc/88/05/63/394880563.db2.gz YKACZTIRWPHPPA-CABCVRRESA-N 2 1 276.428 2.084 20 0 CEADMP Cn1nccc1[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336825396 394880564 /nfs/dbraw/zinc/88/05/64/394880564.db2.gz YKACZTIRWPHPPA-CABCVRRESA-N 2 1 276.428 2.084 20 0 CEADMP Cn1nccc1[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000336825396 394880568 /nfs/dbraw/zinc/88/05/68/394880568.db2.gz YKACZTIRWPHPPA-CABCVRRESA-N 2 1 276.428 2.084 20 0 CEADMP COC1CCC([NH2+]CC2([NH+](C)C)CCCC2)CC1 ZINC000130108377 394881283 /nfs/dbraw/zinc/88/12/83/394881283.db2.gz DIKNZQCLFNIGOO-UHFFFAOYSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423012132 394881588 /nfs/dbraw/zinc/88/15/88/394881588.db2.gz JZLBINRWWTUJFS-RKTXRCNFSA-N 2 1 273.424 2.162 20 0 CEADMP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423014443 394882413 /nfs/dbraw/zinc/88/24/13/394882413.db2.gz PBAVTDCQIFHEBB-KBPBESRZSA-N 2 1 284.407 2.190 20 0 CEADMP CCC[C@H](C[NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000414963058 394828547 /nfs/dbraw/zinc/82/85/47/394828547.db2.gz KNBHEEJUNZUPMJ-SJORKVTESA-N 2 1 275.440 2.064 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)N(C)c1ccccc1 ZINC000422854829 394831429 /nfs/dbraw/zinc/83/14/29/394831429.db2.gz DEIDGJWUATWRAI-OFQRWUPVSA-N 2 1 261.413 2.241 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000414976612 394833360 /nfs/dbraw/zinc/83/33/60/394833360.db2.gz IMHDWMOJDVZCQX-JTQLQIEISA-N 2 1 262.275 2.412 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC000414978972 394834890 /nfs/dbraw/zinc/83/48/90/394834890.db2.gz MYASUPOHKFPUAB-JTQLQIEISA-N 2 1 274.311 2.124 20 0 CEADMP COc1ccsc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000414982713 394835812 /nfs/dbraw/zinc/83/58/12/394835812.db2.gz YZDSXEZIMFKTLF-GFCCVEGCSA-N 2 1 254.399 2.234 20 0 CEADMP C[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000422862327 394835948 /nfs/dbraw/zinc/83/59/48/394835948.db2.gz NNTNPIIBIHTXRV-UGUYLWEFSA-N 2 1 267.461 2.370 20 0 CEADMP C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000422868446 394839325 /nfs/dbraw/zinc/83/93/25/394839325.db2.gz UZRMOFOZGSCNPX-FPCVCCKLSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)N1CCCC[C@H]1C ZINC000422868446 394839330 /nfs/dbraw/zinc/83/93/30/394839330.db2.gz UZRMOFOZGSCNPX-FPCVCCKLSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000422868665 394839587 /nfs/dbraw/zinc/83/95/87/394839587.db2.gz VHOMJYYZRGHQJK-DNUAJFIVSA-N 2 1 287.451 2.160 20 0 CEADMP COc1ccccc1SC[C@@H](C)C[NH2+][C@@H]1CC[NH2+]C1 ZINC000415087944 394883457 /nfs/dbraw/zinc/88/34/57/394883457.db2.gz WRNMFSKGYYIIOH-QWHCGFSZSA-N 2 1 280.437 2.375 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422874825 394843617 /nfs/dbraw/zinc/84/36/17/394843617.db2.gz DIDNJKTWRJJOAO-JYJNAYRXSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422874825 394843622 /nfs/dbraw/zinc/84/36/22/394843622.db2.gz DIDNJKTWRJJOAO-JYJNAYRXSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422874825 394843623 /nfs/dbraw/zinc/84/36/23/394843623.db2.gz DIDNJKTWRJJOAO-JYJNAYRXSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000422875687 394843752 /nfs/dbraw/zinc/84/37/52/394843752.db2.gz FQNJAFZTDYJICV-GJZGRUSLSA-N 3 1 255.450 2.216 20 0 CEADMP Cc1ccc([C@H](CN[C@H]2CCC[C@H]2C[NH3+])[NH+]2CCCC2)o1 ZINC000422878218 394844952 /nfs/dbraw/zinc/84/49/52/394844952.db2.gz JNYMRQIKFMUUHH-JYJNAYRXSA-N 2 1 291.439 2.442 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422885017 394849496 /nfs/dbraw/zinc/84/94/96/394849496.db2.gz SYWLHJVVDMSGEP-YVSFHVDLSA-N 2 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422885017 394849497 /nfs/dbraw/zinc/84/94/97/394849497.db2.gz SYWLHJVVDMSGEP-YVSFHVDLSA-N 3 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422885017 394849500 /nfs/dbraw/zinc/84/95/00/394849500.db2.gz SYWLHJVVDMSGEP-YVSFHVDLSA-N 3 1 281.488 2.332 20 0 CEADMP c1cncc(-c2cccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)c2)c1 ZINC000415029727 394854939 /nfs/dbraw/zinc/85/49/39/394854939.db2.gz BIGXKVYZWSJUID-SFHVURJKSA-N 2 1 297.402 2.217 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000129010479 394856464 /nfs/dbraw/zinc/85/64/64/394856464.db2.gz UZEHNYLJJUUHHD-DZGCQCFKSA-N 2 1 270.380 2.184 20 0 CEADMP CC(C)n1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415041234 394860401 /nfs/dbraw/zinc/86/04/01/394860401.db2.gz LFGUUXXNOYVPPH-HOTGVXAUSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415041234 394860404 /nfs/dbraw/zinc/86/04/04/394860404.db2.gz LFGUUXXNOYVPPH-HOTGVXAUSA-N 2 1 276.428 2.428 20 0 CEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363794747 394886126 /nfs/dbraw/zinc/88/61/26/394886126.db2.gz WUKXOAXUCANPJR-CBBWQLFWSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363794747 394886128 /nfs/dbraw/zinc/88/61/28/394886128.db2.gz WUKXOAXUCANPJR-CBBWQLFWSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc[nH+]1 ZINC000364360769 394893554 /nfs/dbraw/zinc/89/35/54/394893554.db2.gz LXCWZLBSAYCUNZ-NUEKZKHPSA-N 2 1 257.381 2.311 20 0 CEADMP c1cn(CCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000415115590 394894419 /nfs/dbraw/zinc/89/44/19/394894419.db2.gz UGCJIOMUXJKTKW-SJORKVTESA-N 2 1 284.407 2.356 20 0 CEADMP C[C@H]1CC[N@H+](Cc2ccnn2-c2ccccc2)C[C@H]1C[NH3+] ZINC000415135996 394901390 /nfs/dbraw/zinc/90/13/90/394901390.db2.gz WXAYBWUKYRVQQX-LSDHHAIUSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2)C[C@H]1C[NH3+] ZINC000415135996 394901393 /nfs/dbraw/zinc/90/13/93/394901393.db2.gz WXAYBWUKYRVQQX-LSDHHAIUSA-N 2 1 284.407 2.289 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423366374 394902195 /nfs/dbraw/zinc/90/21/95/394902195.db2.gz CNTMBQPZQJWSID-XJKSGUPXSA-N 2 1 289.423 2.311 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cn1 ZINC000423375100 394906152 /nfs/dbraw/zinc/90/61/52/394906152.db2.gz XKNLJRDVFBODGG-GXTWGEPZSA-N 2 1 250.390 2.257 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000423377726 394906769 /nfs/dbraw/zinc/90/67/69/394906769.db2.gz KGZTWXYKRGFEPJ-RDBSUJKOSA-N 2 1 256.434 2.414 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)C1CCOCC1 ZINC000423385894 394908842 /nfs/dbraw/zinc/90/88/42/394908842.db2.gz KYZDFGSUTHRGHK-OCCSQVGLSA-N 2 1 254.418 2.169 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(O)CCCCCC1 ZINC000131473476 394911665 /nfs/dbraw/zinc/91/16/65/394911665.db2.gz URZNEMJHTXLYQZ-KGLIPLIRSA-N 2 1 254.418 2.002 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc(OC)c1 ZINC000131533539 394913634 /nfs/dbraw/zinc/91/36/34/394913634.db2.gz PMAGAHAIPGUFSN-AAEUAGOBSA-N 2 1 264.369 2.015 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc(OC)c1 ZINC000131533539 394913637 /nfs/dbraw/zinc/91/36/37/394913637.db2.gz PMAGAHAIPGUFSN-AAEUAGOBSA-N 2 1 264.369 2.015 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1O ZINC000423409997 394916941 /nfs/dbraw/zinc/91/69/41/394916941.db2.gz ZJYBRSQBIFODTI-GVXVVHGQSA-N 2 1 264.369 2.049 20 0 CEADMP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCCO2 ZINC000423423800 394919604 /nfs/dbraw/zinc/91/96/04/394919604.db2.gz FHGXPDBYOTYUCR-DLTWYDFYSA-N 2 1 272.392 2.325 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000423472307 394928359 /nfs/dbraw/zinc/92/83/59/394928359.db2.gz QCGHMVNUJKQLHB-AAEUAGOBSA-N 2 1 264.369 2.236 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC000423504719 394939196 /nfs/dbraw/zinc/93/91/96/394939196.db2.gz NWCKPQBCPZATQX-SDDRHHMPSA-N 2 1 280.334 2.203 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc2c(c1)CCC2 ZINC000423522734 394943769 /nfs/dbraw/zinc/94/37/69/394943769.db2.gz RNMVPPJBTRWUJJ-SUMWQHHRSA-N 2 1 274.408 2.204 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc2c(c1)CCC2 ZINC000423522730 394943918 /nfs/dbraw/zinc/94/39/18/394943918.db2.gz RNMVPPJBTRWUJJ-CXAGYDPISA-N 2 1 274.408 2.204 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000423523564 394944844 /nfs/dbraw/zinc/94/48/44/394944844.db2.gz SBRZOBSLAMNKNC-KFWWJZLASA-N 2 1 267.461 2.085 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CCCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000423557714 394951511 /nfs/dbraw/zinc/95/15/11/394951511.db2.gz NOKJJUDGDVAVMZ-NJAFHUGGSA-N 2 1 287.451 2.381 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1NC(C)=O ZINC000151946888 394982357 /nfs/dbraw/zinc/98/23/57/394982357.db2.gz SEIRCWBJJMOTCK-GFCCVEGCSA-N 2 1 293.411 2.256 20 0 CEADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000340419656 394985248 /nfs/dbraw/zinc/98/52/48/394985248.db2.gz YPXYHVQRVIIQQZ-JONQDZQNSA-N 2 1 295.471 2.001 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415972954 394989658 /nfs/dbraw/zinc/98/96/58/394989658.db2.gz NNIMKAKVLRXERY-UHFFFAOYSA-N 2 1 292.427 2.259 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000341379173 395000446 /nfs/dbraw/zinc/00/04/46/395000446.db2.gz OZTKGOKIRDCNCO-IXDOHACOSA-N 2 1 278.440 2.433 20 0 CEADMP C[C@H](C(=O)N(C)CCC[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000339435615 394959676 /nfs/dbraw/zinc/95/96/76/394959676.db2.gz BEGWCKQVMKKMIY-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343978694 395047864 /nfs/dbraw/zinc/04/78/64/395047864.db2.gz KUBBBINRWSNUNY-BRWVUGGUSA-N 2 1 277.456 2.053 20 0 CEADMP CC[C@@H](COC)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162309976 395072527 /nfs/dbraw/zinc/07/25/27/395072527.db2.gz SSJMJPYOZDJSOO-AWEZNQCLSA-N 2 1 292.427 2.077 20 0 CEADMP CC(C)CO[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000162267541 395072997 /nfs/dbraw/zinc/07/29/97/395072997.db2.gz OIHVXKSSKUNBEF-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)CO[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000162267541 395073000 /nfs/dbraw/zinc/07/30/00/395073000.db2.gz OIHVXKSSKUNBEF-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP CN(CCC[N@@H+](C)Cc1ccc(F)cc1)CC[NH+](C)C ZINC000289463143 395078556 /nfs/dbraw/zinc/07/85/56/395078556.db2.gz QGYNARLGWLBXDN-UHFFFAOYSA-N 2 1 281.419 2.141 20 0 CEADMP CC(C)[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000165650795 395086371 /nfs/dbraw/zinc/08/63/71/395086371.db2.gz VFFZIYXROFVVQW-MRXNPFEDSA-N 2 1 295.471 2.084 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427120790 395092928 /nfs/dbraw/zinc/09/29/28/395092928.db2.gz VAOSAMKWDBESSV-UNEWFSDZSA-N 2 1 274.408 2.483 20 0 CEADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000343709585 395043603 /nfs/dbraw/zinc/04/36/03/395043603.db2.gz LFHYXRDHXJAVAW-FVQBIDKESA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)(C)[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000343709585 395043608 /nfs/dbraw/zinc/04/36/08/395043608.db2.gz LFHYXRDHXJAVAW-FVQBIDKESA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)(C)[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000343709585 395043611 /nfs/dbraw/zinc/04/36/11/395043611.db2.gz LFHYXRDHXJAVAW-FVQBIDKESA-N 2 1 280.456 2.342 20 0 CEADMP Cc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)c2ccccc2[nH+]1 ZINC000347848200 395130464 /nfs/dbraw/zinc/13/04/64/395130464.db2.gz ATSBEQKWFJOUOG-CQSZACIVSA-N 2 1 283.375 2.064 20 0 CEADMP Cc1cc(N2CC[N@H+]3CCOC[C@H]3C2)c2ccccc2[nH+]1 ZINC000347848200 395130467 /nfs/dbraw/zinc/13/04/67/395130467.db2.gz ATSBEQKWFJOUOG-CQSZACIVSA-N 2 1 283.375 2.064 20 0 CEADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCO1 ZINC000346874637 395112347 /nfs/dbraw/zinc/11/23/47/395112347.db2.gz PAECCJWADAYENS-YJNKXOJESA-N 2 1 254.418 2.121 20 0 CEADMP Cc1cc(N2CCC([NH2+][C@H](C)C3CC3)CC2)nc(C)[nH+]1 ZINC000177604386 395152689 /nfs/dbraw/zinc/15/26/89/395152689.db2.gz QMQDTDYQYWDKNW-GFCCVEGCSA-N 2 1 274.412 2.450 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC12CCOCC2 ZINC000437026930 395173960 /nfs/dbraw/zinc/17/39/60/395173960.db2.gz XNTAFMGLHFSNSL-KBXIAJHMSA-N 2 1 266.429 2.121 20 0 CEADMP CC(C)C[C@H]1CCC[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000351546729 395227967 /nfs/dbraw/zinc/22/79/67/395227967.db2.gz ZJZBHARFOIKMME-GDBMZVCRSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)C[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351546729 395227970 /nfs/dbraw/zinc/22/79/70/395227970.db2.gz ZJZBHARFOIKMME-GDBMZVCRSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)C[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351546729 395227973 /nfs/dbraw/zinc/22/79/73/395227973.db2.gz ZJZBHARFOIKMME-GDBMZVCRSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)C[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351546729 395227976 /nfs/dbraw/zinc/22/79/76/395227976.db2.gz ZJZBHARFOIKMME-GDBMZVCRSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)C[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351546729 395227981 /nfs/dbraw/zinc/22/79/81/395227981.db2.gz ZJZBHARFOIKMME-GDBMZVCRSA-N 2 1 268.445 2.200 20 0 CEADMP COC(=O)[C@@H]1CC12CCN(CC[C@H]1CCCC[N@H+]1C)CC2 ZINC000351598687 395229488 /nfs/dbraw/zinc/22/94/88/395229488.db2.gz UKPHAXLWLHKUJF-CABCVRRESA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@H]1CC12CC[NH+](CC[C@H]1CCCC[N@H+]1C)CC2 ZINC000351598687 395229495 /nfs/dbraw/zinc/22/94/95/395229495.db2.gz UKPHAXLWLHKUJF-CABCVRRESA-N 2 1 294.439 2.136 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@@H]1CC[NH2+]C1 ZINC000382766728 395183448 /nfs/dbraw/zinc/18/34/48/395183448.db2.gz WATQYHJYBJGIEI-SJLPKXTDSA-N 2 1 287.451 2.192 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433309477 395221765 /nfs/dbraw/zinc/22/17/65/395221765.db2.gz AAVPYDSDDHYIFC-CYBMUJFWSA-N 2 1 288.395 2.491 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433309477 395221766 /nfs/dbraw/zinc/22/17/66/395221766.db2.gz AAVPYDSDDHYIFC-CYBMUJFWSA-N 2 1 288.395 2.491 20 0 CEADMP Cc1ncc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)s1 ZINC000397312592 395222799 /nfs/dbraw/zinc/22/27/99/395222799.db2.gz PHAVDQJRZPPEIU-SCVCMEIPSA-N 2 1 253.415 2.257 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000439958091 395295985 /nfs/dbraw/zinc/29/59/85/395295985.db2.gz LZKLPCCMZCOUCY-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439958091 395295989 /nfs/dbraw/zinc/29/59/89/395295989.db2.gz LZKLPCCMZCOUCY-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439958091 395295992 /nfs/dbraw/zinc/29/59/92/395295992.db2.gz LZKLPCCMZCOUCY-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP COc1ccccc1CCC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000420290590 395297814 /nfs/dbraw/zinc/29/78/14/395297814.db2.gz MEYOZTQMSBBOFG-MRXNPFEDSA-N 2 1 262.397 2.345 20 0 CEADMP C[C@H]1CCC[C@H](C)[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420295315 395300195 /nfs/dbraw/zinc/30/01/95/395300195.db2.gz CEJNPCZOTMVIQW-LAQRGFTBSA-N 2 1 290.451 2.428 20 0 CEADMP C[C@H]1CCC[C@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420295315 395300202 /nfs/dbraw/zinc/30/02/02/395300202.db2.gz CEJNPCZOTMVIQW-LAQRGFTBSA-N 2 1 290.451 2.428 20 0 CEADMP C[C@H]1CCC[C@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420295315 395300209 /nfs/dbraw/zinc/30/02/09/395300209.db2.gz CEJNPCZOTMVIQW-LAQRGFTBSA-N 2 1 290.451 2.428 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1(C)C ZINC000353533949 395300414 /nfs/dbraw/zinc/30/04/14/395300414.db2.gz YIMDMMPRQSBZQI-NIFZNCRKSA-N 2 1 266.429 2.262 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)CSC)CC1 ZINC000187749899 395304298 /nfs/dbraw/zinc/30/42/98/395304298.db2.gz NTXWUAJHJAIHMM-OAHLLOKOSA-N 2 1 288.501 2.154 20 0 CEADMP COc1ccccc1CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420300615 395305628 /nfs/dbraw/zinc/30/56/28/395305628.db2.gz CTKMRUOHCRSKMO-XHSDSOJGSA-N 2 1 274.408 2.297 20 0 CEADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000420300488 395305787 /nfs/dbraw/zinc/30/57/87/395305787.db2.gz HQCLJTAKIQRDGN-HUUCEWRRSA-N 2 1 290.407 2.148 20 0 CEADMP C(C[N@H+]1CCS[C@H]2CCCC[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000420299262 395305925 /nfs/dbraw/zinc/30/59/25/395305925.db2.gz IOTGNTKKGQTGPB-MJBXVCDLSA-N 2 1 254.443 2.346 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)[C@@H]2CCC[C@@H]21 ZINC000353683319 395306095 /nfs/dbraw/zinc/30/60/95/395306095.db2.gz POJPOSRXXROYKA-AJNGGQMLSA-N 2 1 266.429 2.406 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000440265477 395311251 /nfs/dbraw/zinc/31/12/51/395311251.db2.gz IERILXSGKYEIBO-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440265477 395311254 /nfs/dbraw/zinc/31/12/54/395311254.db2.gz IERILXSGKYEIBO-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440265477 395311259 /nfs/dbraw/zinc/31/12/59/395311259.db2.gz IERILXSGKYEIBO-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP Fc1cc(OCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000420307067 395311785 /nfs/dbraw/zinc/31/17/85/395311785.db2.gz IHNJWKGABZNDPR-PHIMTYICSA-N 2 1 284.762 2.009 20 0 CEADMP Fc1cc(OCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000420307067 395311787 /nfs/dbraw/zinc/31/17/87/395311787.db2.gz IHNJWKGABZNDPR-PHIMTYICSA-N 2 1 284.762 2.009 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H](C)C[C@@H]2C)cc1 ZINC000420308924 395312358 /nfs/dbraw/zinc/31/23/58/395312358.db2.gz SOANGGMCRRACEA-VNHYZAJKSA-N 2 1 262.397 2.468 20 0 CEADMP Fc1ccc2c(c1)[C@H]([N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000420309452 395313229 /nfs/dbraw/zinc/31/32/29/395313229.db2.gz LLSQGNGKJOCBQN-DVOMOZLQSA-N 2 1 260.356 2.354 20 0 CEADMP CCn1ccnc1C[N@H+](CCCF)[C@H]1CC12CC[NH2+]CC2 ZINC000420312175 395316252 /nfs/dbraw/zinc/31/62/52/395316252.db2.gz OKNWMVWFOKKMIH-AWEZNQCLSA-N 2 1 294.418 2.207 20 0 CEADMP CCn1ccnc1C[N@@H+](CCCF)[C@H]1CC12CC[NH2+]CC2 ZINC000420312175 395316254 /nfs/dbraw/zinc/31/62/54/395316254.db2.gz OKNWMVWFOKKMIH-AWEZNQCLSA-N 2 1 294.418 2.207 20 0 CEADMP C[C@H](O)C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000420312827 395317081 /nfs/dbraw/zinc/31/70/81/395317081.db2.gz XIXPOOMHKBDUKI-UONOGXRCSA-N 2 1 254.418 2.002 20 0 CEADMP CCc1nccn1[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420326114 395327488 /nfs/dbraw/zinc/32/74/88/395327488.db2.gz XBBLMFQAPXBNSS-HUUCEWRRSA-N 2 1 276.428 2.082 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420315627 395320329 /nfs/dbraw/zinc/32/03/29/395320329.db2.gz LAHKGLYEROORKS-CVEARBPZSA-N 3 1 267.461 2.040 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320646 395323329 /nfs/dbraw/zinc/32/33/29/395323329.db2.gz BNZQXKVMOZWQFJ-KBPBESRZSA-N 2 1 277.412 2.367 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CCO1 ZINC000352619132 395264091 /nfs/dbraw/zinc/26/40/91/395264091.db2.gz ZGNJRSNVMKJDSC-KBUPBQIOSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CCO1 ZINC000352619132 395264098 /nfs/dbraw/zinc/26/40/98/395264098.db2.gz ZGNJRSNVMKJDSC-KBUPBQIOSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCO1 ZINC000352619132 395264104 /nfs/dbraw/zinc/26/41/04/395264104.db2.gz ZGNJRSNVMKJDSC-KBUPBQIOSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000352619132 395264110 /nfs/dbraw/zinc/26/41/10/395264110.db2.gz ZGNJRSNVMKJDSC-KBUPBQIOSA-N 2 1 254.418 2.216 20 0 CEADMP COc1cccc(OCC[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000420321392 395324455 /nfs/dbraw/zinc/32/44/55/395324455.db2.gz ZZKCQIIOWOVJNH-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC(C)(C)C2)CC1(C)C ZINC000442870180 395397544 /nfs/dbraw/zinc/39/75/44/395397544.db2.gz JPSIAVXVKGTHSV-CQSZACIVSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420368021 395355443 /nfs/dbraw/zinc/35/54/43/395355443.db2.gz TVZRYWIOJVTSKU-OAHLLOKOSA-N 2 1 297.487 2.105 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@H+]1CC(C)C ZINC000355144337 395360458 /nfs/dbraw/zinc/36/04/58/395360458.db2.gz SVRLZIFYYBJKQB-HOTGVXAUSA-N 2 1 297.487 2.390 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420381206 395366214 /nfs/dbraw/zinc/36/62/14/395366214.db2.gz CKLFPUDIQIQWTD-UONOGXRCSA-N 2 1 279.453 2.458 20 0 CEADMP COc1ccccc1OCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420381049 395366447 /nfs/dbraw/zinc/36/64/47/395366447.db2.gz RRGHNMGQYIMAPQ-KRWDZBQOSA-N 2 1 290.407 2.150 20 0 CEADMP COc1ccccc1OCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420381049 395366450 /nfs/dbraw/zinc/36/64/50/395366450.db2.gz RRGHNMGQYIMAPQ-KRWDZBQOSA-N 2 1 290.407 2.150 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000443345948 395399508 /nfs/dbraw/zinc/39/95/08/395399508.db2.gz TXEVHWZCTSCZEQ-LZWOXQAQSA-N 2 1 279.428 2.453 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000443345948 395399510 /nfs/dbraw/zinc/39/95/10/395399510.db2.gz TXEVHWZCTSCZEQ-LZWOXQAQSA-N 2 1 279.428 2.453 20 0 CEADMP COc1cc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)ccc1O ZINC000420327382 395328986 /nfs/dbraw/zinc/32/89/86/395328986.db2.gz YPRQDWKXOPIKSQ-ZDUSSCGKSA-N 2 1 278.396 2.222 20 0 CEADMP Cc1cc(C)n(-c2ccc(C[N@H+](C)C3CC([NH3+])C3)cc2)n1 ZINC000420328091 395329177 /nfs/dbraw/zinc/32/91/77/395329177.db2.gz HIYMAUDICDDCNT-UHFFFAOYSA-N 2 1 284.407 2.411 20 0 CEADMP CCCCOCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326715 395329557 /nfs/dbraw/zinc/32/95/57/395329557.db2.gz KMPLMXYOFNLBKJ-LSDHHAIUSA-N 2 1 254.418 2.125 20 0 CEADMP CC(C)n1ccnc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329468 395331517 /nfs/dbraw/zinc/33/15/17/395331517.db2.gz OIUIUCRAUAECTE-GJZGRUSLSA-N 2 1 276.428 2.286 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCCC2)CC12CCOCC2 ZINC000420335915 395335033 /nfs/dbraw/zinc/33/50/33/395335033.db2.gz VGZPEAOHUGRHNT-OAHLLOKOSA-N 2 1 266.429 2.254 20 0 CEADMP CCOC(=O)C1CCC([NH2+]C[C@@H](C)[NH+](CC)CC)CC1 ZINC000355283862 395396707 /nfs/dbraw/zinc/39/67/07/395396707.db2.gz CPHUNCQPZIIDMK-WLYUNCDWSA-N 2 1 284.444 2.428 20 0 CEADMP C(C[NH+]1CCN(C2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000420352337 395341414 /nfs/dbraw/zinc/34/14/14/395341414.db2.gz AEZKEZPJKIMYFI-MRXNPFEDSA-N 2 1 279.472 2.326 20 0 CEADMP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000420357136 395343999 /nfs/dbraw/zinc/34/39/99/395343999.db2.gz HOOXKHRKJHGRLU-OAHLLOKOSA-N 2 1 268.376 2.430 20 0 CEADMP Cc1cnc(CC[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)s1 ZINC000420359009 395346485 /nfs/dbraw/zinc/34/64/85/395346485.db2.gz KAFKETMSRRUYFR-ZDUSSCGKSA-N 2 1 267.442 2.316 20 0 CEADMP CC[C@@H]1CN(CCC[NH2+]C)CC[N@H+]1Cc1ccccc1 ZINC000420363560 395350316 /nfs/dbraw/zinc/35/03/16/395350316.db2.gz BNIOCCUOGBGNOQ-QGZVFWFLSA-N 2 1 275.440 2.192 20 0 CEADMP C[C@@H](CCC(F)(F)F)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442867756 395397376 /nfs/dbraw/zinc/39/73/76/395397376.db2.gz MISJDEFMMZPIJW-LBPRGKRZSA-N 2 1 295.393 2.333 20 0 CEADMP CCC[C@]1(CO)CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000444768336 395453626 /nfs/dbraw/zinc/45/36/26/395453626.db2.gz DAGLAVZCZXUTJR-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP CCC[C@]1(CO)CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000444768336 395453628 /nfs/dbraw/zinc/45/36/28/395453628.db2.gz DAGLAVZCZXUTJR-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP CCC[C@]1(CO)CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000444768336 395453631 /nfs/dbraw/zinc/45/36/31/395453631.db2.gz DAGLAVZCZXUTJR-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC2CCC2)[C@@H](C)C1 ZINC000445433664 395463380 /nfs/dbraw/zinc/46/33/80/395463380.db2.gz GITLSCGIPQPHSA-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC2CCC2)[C@@H](C)C1 ZINC000445433664 395463381 /nfs/dbraw/zinc/46/33/81/395463381.db2.gz GITLSCGIPQPHSA-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC2CCC2)[C@@H](C)C1 ZINC000445433664 395463382 /nfs/dbraw/zinc/46/33/82/395463382.db2.gz GITLSCGIPQPHSA-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)CC1 ZINC000355357787 395420060 /nfs/dbraw/zinc/42/00/60/395420060.db2.gz OTYLTDIVTYENGY-BNOWGMLFSA-N 2 1 254.418 2.120 20 0 CEADMP O[C@@H]1CC[N@H+](C2CCN(Cc3ccc4cc[nH]c4c3)CC2)C1 ZINC000529620507 395422471 /nfs/dbraw/zinc/42/24/71/395422471.db2.gz GMEQSDWDIFJFRG-QGZVFWFLSA-N 2 1 299.418 2.199 20 0 CEADMP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)C1 ZINC000529620507 395422472 /nfs/dbraw/zinc/42/24/72/395422472.db2.gz GMEQSDWDIFJFRG-QGZVFWFLSA-N 2 1 299.418 2.199 20 0 CEADMP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)C1 ZINC000529620507 395422475 /nfs/dbraw/zinc/42/24/75/395422475.db2.gz GMEQSDWDIFJFRG-QGZVFWFLSA-N 2 1 299.418 2.199 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000355412813 395441583 /nfs/dbraw/zinc/44/15/83/395441583.db2.gz UDXQJZPXEGXZLO-GASCZTMLSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566245565 395506948 /nfs/dbraw/zinc/50/69/48/395506948.db2.gz VEYPKXXQPRJWEQ-KDOFPFPSSA-N 3 1 283.419 2.193 20 0 CEADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566245565 395506950 /nfs/dbraw/zinc/50/69/50/395506950.db2.gz VEYPKXXQPRJWEQ-KDOFPFPSSA-N 2 1 283.419 2.193 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000566230384 395507177 /nfs/dbraw/zinc/50/71/77/395507177.db2.gz LLBYHAWSHLUIJA-QGZVFWFLSA-N 2 1 290.455 2.485 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000566230384 395507179 /nfs/dbraw/zinc/50/71/79/395507179.db2.gz LLBYHAWSHLUIJA-QGZVFWFLSA-N 2 1 290.455 2.485 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2[NH+](C)CCCC2(C)C)[C@@H](C)C1 ZINC000448022651 395508036 /nfs/dbraw/zinc/50/80/36/395508036.db2.gz PAVWFAJHCLEQRQ-HRCADAONSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2[N@H+](C)CCCC2(C)C)[C@@H](C)C1 ZINC000448022651 395508038 /nfs/dbraw/zinc/50/80/38/395508038.db2.gz PAVWFAJHCLEQRQ-HRCADAONSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2[N@@H+](C)CCCC2(C)C)[C@@H](C)C1 ZINC000448022651 395508041 /nfs/dbraw/zinc/50/80/41/395508041.db2.gz PAVWFAJHCLEQRQ-HRCADAONSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2N(C)CCCC2(C)C)[C@@H](C)C1 ZINC000448022651 395508043 /nfs/dbraw/zinc/50/80/43/395508043.db2.gz PAVWFAJHCLEQRQ-HRCADAONSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2N(C)CCCC2(C)C)[C@@H](C)C1 ZINC000448022651 395508046 /nfs/dbraw/zinc/50/80/46/395508046.db2.gz PAVWFAJHCLEQRQ-HRCADAONSA-N 2 1 281.488 2.427 20 0 CEADMP CS[C@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000448545865 395513339 /nfs/dbraw/zinc/51/33/39/395513339.db2.gz NULDASXOHSQRSX-ZDUSSCGKSA-N 2 1 253.415 2.409 20 0 CEADMP CS[C@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000448545865 395513340 /nfs/dbraw/zinc/51/33/40/395513340.db2.gz NULDASXOHSQRSX-ZDUSSCGKSA-N 2 1 253.415 2.409 20 0 CEADMP COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccn1 ZINC000566474670 395528764 /nfs/dbraw/zinc/52/87/64/395528764.db2.gz HFVKFQOMVCGWGS-PRTUASRFSA-N 2 1 275.396 2.366 20 0 CEADMP COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccn1 ZINC000566474670 395528766 /nfs/dbraw/zinc/52/87/66/395528766.db2.gz HFVKFQOMVCGWGS-PRTUASRFSA-N 2 1 275.396 2.366 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOCC1CCC1 ZINC000565710399 395481382 /nfs/dbraw/zinc/48/13/82/395481382.db2.gz MXNPNYIRZOZFLB-PBHICJAKSA-N 2 1 276.424 2.351 20 0 CEADMP COC[C@@]1(C[NH2+][C@H](C)Cc2ccsc2)CCC[NH2+]1 ZINC000565762938 395483488 /nfs/dbraw/zinc/48/34/88/395483488.db2.gz ZAQMNEDOYMEIFZ-OCCSQVGLSA-N 2 1 268.426 2.037 20 0 CEADMP C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000573068002 395599367 /nfs/dbraw/zinc/59/93/67/395599367.db2.gz MISLXZHRXYIMCK-GOSISDBHSA-N 2 1 291.483 2.467 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1)C(C)C ZINC000449597950 395556450 /nfs/dbraw/zinc/55/64/50/395556450.db2.gz AILCXSLILLNDKN-KBPBESRZSA-N 2 1 291.439 2.382 20 0 CEADMP C[C@H]1C[C@H]1[N@H+]1CCN(CCCc2c[nH+]cn2C)C[C@@H](C)C1 ZINC000568410281 395558772 /nfs/dbraw/zinc/55/87/72/395558772.db2.gz HJZTVCVCDJCLGW-HLLBOEOZSA-N 2 1 290.455 2.015 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(-n2cncn2)cc1 ZINC000568446145 395559973 /nfs/dbraw/zinc/55/99/73/395559973.db2.gz GFLBDCVLXXRTJW-PBHICJAKSA-N 2 1 299.422 2.039 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000568446145 395559974 /nfs/dbraw/zinc/55/99/74/395559974.db2.gz GFLBDCVLXXRTJW-PBHICJAKSA-N 2 1 299.422 2.039 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000568446145 395559975 /nfs/dbraw/zinc/55/99/75/395559975.db2.gz GFLBDCVLXXRTJW-PBHICJAKSA-N 2 1 299.422 2.039 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000572852889 395591199 /nfs/dbraw/zinc/59/11/99/395591199.db2.gz QMSRNGHULGFHCA-INIZCTEOSA-N 2 1 277.412 2.244 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000572852889 395591201 /nfs/dbraw/zinc/59/12/01/395591201.db2.gz QMSRNGHULGFHCA-INIZCTEOSA-N 2 1 277.412 2.244 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2COc3cc(F)ccc3C2)CC1 ZINC000574339308 395628567 /nfs/dbraw/zinc/62/85/67/395628567.db2.gz DTCLNCOYRBCHAQ-OAHLLOKOSA-N 2 1 278.371 2.203 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000574815390 395638069 /nfs/dbraw/zinc/63/80/69/395638069.db2.gz WFXLVBSNIZROFQ-XYVMCAHJSA-N 2 1 292.467 2.486 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000574815390 395638070 /nfs/dbraw/zinc/63/80/70/395638070.db2.gz WFXLVBSNIZROFQ-XYVMCAHJSA-N 2 1 292.467 2.486 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000574815390 395638071 /nfs/dbraw/zinc/63/80/71/395638071.db2.gz WFXLVBSNIZROFQ-XYVMCAHJSA-N 2 1 292.467 2.486 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000574815390 395638072 /nfs/dbraw/zinc/63/80/72/395638072.db2.gz WFXLVBSNIZROFQ-XYVMCAHJSA-N 2 1 292.467 2.486 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000574815390 395638073 /nfs/dbraw/zinc/63/80/73/395638073.db2.gz WFXLVBSNIZROFQ-XYVMCAHJSA-N 2 1 292.467 2.486 20 0 CEADMP Cc1cc(NC(=O)C[N@H+](C)C(C)C)ccc1C[NH+](C)C ZINC000458293125 395642001 /nfs/dbraw/zinc/64/20/01/395642001.db2.gz UFCNSTXWEODVFL-UHFFFAOYSA-N 2 1 277.412 2.335 20 0 CEADMP COCC1(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000647320252 395702145 /nfs/dbraw/zinc/70/21/45/395702145.db2.gz VROLUEAYHHDXOR-MELADBBJSA-N 2 1 254.418 2.121 20 0 CEADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000647336707 395705370 /nfs/dbraw/zinc/70/53/70/395705370.db2.gz FDDHPUPMGBJBQZ-UYJHQMFVSA-N 2 1 268.445 2.246 20 0 CEADMP CC[C@@H](COC)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343886 395706824 /nfs/dbraw/zinc/70/68/24/395706824.db2.gz FHBAUSNXWIKAOL-IKGGRYGDSA-N 2 1 276.424 2.346 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+]C2CCC(O)CC2)[C@H](c2ccccc2)C1 ZINC000647344744 395707002 /nfs/dbraw/zinc/70/70/02/395707002.db2.gz YJLOQHWZJCACKT-CPFNUKBASA-N 2 1 288.435 2.225 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCCOC2)[C@H](c2ccccc2)C1 ZINC000647343835 395707104 /nfs/dbraw/zinc/70/71/04/395707104.db2.gz CYVHITRCECZGNC-IKGGRYGDSA-N 2 1 274.408 2.100 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+](Cc2cn3cccc(F)c3n2)CC1 ZINC000647491702 395721134 /nfs/dbraw/zinc/72/11/34/395721134.db2.gz CSAOBCYPJOHJTN-NSHDSACASA-N 2 1 276.359 2.033 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1ccc(OCc2cccnc2)cc1 ZINC000647497020 395721723 /nfs/dbraw/zinc/72/17/23/395721723.db2.gz UAURMOWPTXQTBB-UHFFFAOYSA-N 2 1 285.391 2.441 20 0 CEADMP COc1ccc(OC(F)F)c(C[N@H+](C)CCC[NH3+])c1 ZINC000647497768 395721884 /nfs/dbraw/zinc/72/18/84/395721884.db2.gz VBQVPXJPNGSIPM-UHFFFAOYSA-N 2 1 274.311 2.077 20 0 CEADMP COc1ccc(OC(F)F)c(C[N@@H+](C)CCC[NH3+])c1 ZINC000647497768 395721885 /nfs/dbraw/zinc/72/18/85/395721885.db2.gz VBQVPXJPNGSIPM-UHFFFAOYSA-N 2 1 274.311 2.077 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cn(C(C)C)nc2C)CC[C@H]1[NH3+] ZINC000647497562 395721893 /nfs/dbraw/zinc/72/18/93/395721893.db2.gz MFUGXDDLUXHMOX-DZGCQCFKSA-N 2 1 264.417 2.332 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)CC[C@H]1[NH3+] ZINC000647497562 395721895 /nfs/dbraw/zinc/72/18/95/395721895.db2.gz MFUGXDDLUXHMOX-DZGCQCFKSA-N 2 1 264.417 2.332 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)nc1 ZINC000647498586 395722156 /nfs/dbraw/zinc/72/21/56/395722156.db2.gz KTYAAGZIEMFDIY-SWLSCSKDSA-N 2 1 263.385 2.040 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)nc1 ZINC000647498586 395722157 /nfs/dbraw/zinc/72/21/57/395722157.db2.gz KTYAAGZIEMFDIY-SWLSCSKDSA-N 2 1 263.385 2.040 20 0 CEADMP CC(C)C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccncc1 ZINC000647284674 395697402 /nfs/dbraw/zinc/69/74/02/395697402.db2.gz ZFOLWYAZQCFYDU-SJORKVTESA-N 2 1 291.439 2.215 20 0 CEADMP c1csc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647542915 395730720 /nfs/dbraw/zinc/73/07/20/395730720.db2.gz DRBPHTSSZYJZIK-QWHCGFSZSA-N 2 1 265.426 2.355 20 0 CEADMP c1cncc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647544130 395731218 /nfs/dbraw/zinc/73/12/18/395731218.db2.gz XDNLSVTXFRJXLM-HOTGVXAUSA-N 2 1 259.397 2.293 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000647650951 395740063 /nfs/dbraw/zinc/74/00/63/395740063.db2.gz BKZKTOKZWYJSQC-HZSPNIEDSA-N 2 1 292.427 2.125 20 0 CEADMP Cc1cc(CC[NH2+][C@H]2C[NH2+]C[C@H](C)C2)cc(C)c1O ZINC000647551398 395733696 /nfs/dbraw/zinc/73/36/96/395733696.db2.gz MISWGMLDVSJJFN-IAQYHMDHSA-N 2 1 262.397 2.139 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647797755 395756650 /nfs/dbraw/zinc/75/66/50/395756650.db2.gz BFXNTIDERGQGIW-MLHJIOFPSA-N 3 1 293.499 2.475 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000647940240 395781232 /nfs/dbraw/zinc/78/12/32/395781232.db2.gz QKRKKLTZUKXRFV-BMFZPTHFSA-N 2 1 295.471 2.131 20 0 CEADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000647940240 395781235 /nfs/dbraw/zinc/78/12/35/395781235.db2.gz QKRKKLTZUKXRFV-BMFZPTHFSA-N 2 1 295.471 2.131 20 0 CEADMP CC[C@H](c1ccc(F)cc1F)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835809 395761908 /nfs/dbraw/zinc/76/19/08/395761908.db2.gz PEUISMGFEWMKMZ-MRXNPFEDSA-N 2 1 297.393 2.253 20 0 CEADMP c1csc(C[N@@H+](C[C@H]2CCCO2)C[C@H]2CC[NH2+]C2)c1 ZINC000647873375 395766862 /nfs/dbraw/zinc/76/68/62/395766862.db2.gz BXAPNATZXQXPBH-UONOGXRCSA-N 2 1 280.437 2.339 20 0 CEADMP c1csc(C[N@H+](C[C@H]2CCCO2)C[C@H]2CC[NH2+]C2)c1 ZINC000647873375 395766865 /nfs/dbraw/zinc/76/68/65/395766865.db2.gz BXAPNATZXQXPBH-UONOGXRCSA-N 2 1 280.437 2.339 20 0 CEADMP COc1cc(C[N@H+](C)C[C@H]2CC[NH2+]C2)ccc1SC ZINC000647882928 395768785 /nfs/dbraw/zinc/76/87/85/395768785.db2.gz PYCPHUQBCRUXFD-ZDUSSCGKSA-N 2 1 280.437 2.458 20 0 CEADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)ccc1SC ZINC000647882928 395768786 /nfs/dbraw/zinc/76/87/86/395768786.db2.gz PYCPHUQBCRUXFD-ZDUSSCGKSA-N 2 1 280.437 2.458 20 0 CEADMP COC1CC([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000648068299 395825240 /nfs/dbraw/zinc/82/52/40/395825240.db2.gz PJMPESRGUZKEAY-VXLLPVPCSA-N 2 1 274.408 2.099 20 0 CEADMP CCC[C@H](C)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072170 395825796 /nfs/dbraw/zinc/82/57/96/395825796.db2.gz PWJVDEZLPNAXLB-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)OCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976756 395793604 /nfs/dbraw/zinc/79/36/04/395793604.db2.gz TVJKXMCFKKBHGS-CABCVRRESA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@@H]1CN(C[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000647989955 395796903 /nfs/dbraw/zinc/79/69/03/395796903.db2.gz JBLNEJKAJDCWBG-ZWKOTPCHSA-N 2 1 287.451 2.192 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648419071 395906091 /nfs/dbraw/zinc/90/60/91/395906091.db2.gz IYAYKOLNRDLSAW-GOSISDBHSA-N 2 1 290.451 2.492 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2C)CCO1 ZINC000648429295 395907103 /nfs/dbraw/zinc/90/71/03/395907103.db2.gz RLTMJIKBZQCPJV-UONOGXRCSA-N 2 1 251.374 2.129 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2C)CCO1 ZINC000648429293 395907269 /nfs/dbraw/zinc/90/72/69/395907269.db2.gz RLTMJIKBZQCPJV-KBPBESRZSA-N 2 1 251.374 2.129 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648758114 395976265 /nfs/dbraw/zinc/97/62/65/395976265.db2.gz DMDCRDIAKDIUEX-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648758114 395976269 /nfs/dbraw/zinc/97/62/69/395976269.db2.gz DMDCRDIAKDIUEX-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648758114 395976272 /nfs/dbraw/zinc/97/62/72/395976272.db2.gz DMDCRDIAKDIUEX-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC([NH2+]C2CCC(OC(F)F)CC2)CC1 ZINC000648817375 395990939 /nfs/dbraw/zinc/99/09/39/395990939.db2.gz PPBGLOAZYVQUKS-UHFFFAOYSA-N 2 1 262.344 2.221 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CC)CCC[NH+](C)C ZINC000648875494 396007755 /nfs/dbraw/zinc/00/77/55/396007755.db2.gz RPUYAJVWAXGINB-AWEZNQCLSA-N 2 1 294.443 2.197 20 0 CEADMP COc1c(C)c[nH+]c(CN(C2CC2)C2CC[NH2+]CC2)c1C ZINC000649408965 396145559 /nfs/dbraw/zinc/14/55/59/396145559.db2.gz OIEBNSIBQLFPHA-UHFFFAOYSA-N 2 1 289.423 2.423 20 0 CEADMP Cc1nc(C)c([C@H](C)[N@H+](C)C[C@@H]2CC[NH2+]C2)s1 ZINC000649412953 396147680 /nfs/dbraw/zinc/14/76/80/396147680.db2.gz FZUODXUPPZHFMZ-CMPLNLGQSA-N 2 1 253.415 2.362 20 0 CEADMP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CC[NH2+]C2)s1 ZINC000649412953 396147683 /nfs/dbraw/zinc/14/76/83/396147683.db2.gz FZUODXUPPZHFMZ-CMPLNLGQSA-N 2 1 253.415 2.362 20 0 CEADMP CC[C@H]1CN(C)c2ccccc2C[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000649414321 396147948 /nfs/dbraw/zinc/14/79/48/396147948.db2.gz STVBUUZOHGSBLR-HOCLYGCPSA-N 2 1 273.424 2.327 20 0 CEADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000646052083 396279487 /nfs/dbraw/zinc/27/94/87/396279487.db2.gz ZPAHWQVDFVLXAS-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[NH+](C)CCCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000646052083 396279491 /nfs/dbraw/zinc/27/94/91/396279491.db2.gz ZPAHWQVDFVLXAS-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[NH+](C)CCCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000646052083 396279492 /nfs/dbraw/zinc/27/94/92/396279492.db2.gz ZPAHWQVDFVLXAS-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cs1 ZINC000649696334 396230545 /nfs/dbraw/zinc/23/05/45/396230545.db2.gz WFFPQGKYLHGPNH-UHFFFAOYSA-N 2 1 281.469 2.174 20 0 CEADMP Cc1sccc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000646077125 396286018 /nfs/dbraw/zinc/28/60/18/396286018.db2.gz GDDVDHOWFQIDIL-INIZCTEOSA-N 2 1 293.480 2.268 20 0 CEADMP Cc1sccc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000646077125 396286022 /nfs/dbraw/zinc/28/60/22/396286022.db2.gz GDDVDHOWFQIDIL-INIZCTEOSA-N 2 1 293.480 2.268 20 0 CEADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(O)cc3)C2)C1 ZINC000646243268 396320533 /nfs/dbraw/zinc/32/05/33/396320533.db2.gz SHFNAJMEVSTSFQ-MRXNPFEDSA-N 2 1 260.381 2.310 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(O)cc3)C2)C1 ZINC000646243268 396320535 /nfs/dbraw/zinc/32/05/35/396320535.db2.gz SHFNAJMEVSTSFQ-MRXNPFEDSA-N 2 1 260.381 2.310 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(O)cc3)C2)C1 ZINC000646243268 396320536 /nfs/dbraw/zinc/32/05/36/396320536.db2.gz SHFNAJMEVSTSFQ-MRXNPFEDSA-N 2 1 260.381 2.310 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(O)cc3)C2)C1 ZINC000646243268 396320538 /nfs/dbraw/zinc/32/05/38/396320538.db2.gz SHFNAJMEVSTSFQ-MRXNPFEDSA-N 2 1 260.381 2.310 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000646188248 396310348 /nfs/dbraw/zinc/31/03/48/396310348.db2.gz QEKIEAJGLIZAPW-RRFJBIMHSA-N 2 1 298.475 2.066 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC(C)([NH3+])CC1)c1ccccc1 ZINC000646993492 396400043 /nfs/dbraw/zinc/40/00/43/396400043.db2.gz YUPZJFLCKQQVIG-OAHLLOKOSA-N 2 1 289.423 2.019 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647176849 396430372 /nfs/dbraw/zinc/43/03/72/396430372.db2.gz BEHFMBPABPPMMP-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647176849 396430373 /nfs/dbraw/zinc/43/03/73/396430373.db2.gz BEHFMBPABPPMMP-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CO[C@@H](C)C2)c1 ZINC000647179855 396431646 /nfs/dbraw/zinc/43/16/46/396431646.db2.gz SHMFJMDASNQDTJ-BBRMVZONSA-N 2 1 262.397 2.405 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000213500922 400304532 /nfs/dbraw/zinc/30/45/32/400304532.db2.gz DWFXOLJCKOEUBA-YOEHRIQHSA-N 2 1 289.423 2.363 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)CCO1 ZINC000386239790 400525516 /nfs/dbraw/zinc/52/55/16/400525516.db2.gz QYMPITSNMKFRGW-JSGCOSHPSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)CCO1 ZINC000386239790 400525521 /nfs/dbraw/zinc/52/55/21/400525521.db2.gz QYMPITSNMKFRGW-JSGCOSHPSA-N 2 1 254.418 2.251 20 0 CEADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000394578122 400550570 /nfs/dbraw/zinc/55/05/70/400550570.db2.gz TVJAKSNXAUQAQZ-HZPDHXFCSA-N 2 1 267.461 2.040 20 0 CEADMP C[N@H+](CCOC1CCCCCC1)[C@@H](C[NH3+])C1CC1 ZINC000359905689 155164658 /nfs/dbraw/zinc/16/46/58/155164658.db2.gz UZOSJVMEJYQBFN-HNNXBMFYSA-N 2 1 254.418 2.395 20 0 CEADMP C[N@@H+](CCOC1CCCCCC1)[C@@H](C[NH3+])C1CC1 ZINC000359905689 155164667 /nfs/dbraw/zinc/16/46/67/155164667.db2.gz UZOSJVMEJYQBFN-HNNXBMFYSA-N 2 1 254.418 2.395 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)C1 ZINC000650705240 400998066 /nfs/dbraw/zinc/99/80/66/400998066.db2.gz AEYXNELJSPYYPB-INMHGKMJSA-N 2 1 290.407 2.111 20 0 CEADMP Cc1csc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000650723634 401011383 /nfs/dbraw/zinc/01/13/83/401011383.db2.gz RCNLKMNTQNMKAU-MJBXVCDLSA-N 2 1 295.452 2.312 20 0 CEADMP CC[N@@H+](CCCN[C@H](C)C1C[NH2+]C1)C1CCCCC1 ZINC000650742171 401018467 /nfs/dbraw/zinc/01/84/67/401018467.db2.gz SGIOVUQOPCKYLB-CQSZACIVSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)[C@H]1CCC[NH2+]1 ZINC000650752428 401029866 /nfs/dbraw/zinc/02/98/66/401029866.db2.gz QTWGYQGCWJKLCO-XZDPQHSOSA-N 2 1 275.396 2.032 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1c[nH+]ccc1N ZINC000650752250 401029985 /nfs/dbraw/zinc/02/99/85/401029985.db2.gz MVHUEHWWYHCEKH-MRRJBJDNSA-N 2 1 298.390 2.460 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cnccn1 ZINC000650758575 401034433 /nfs/dbraw/zinc/03/44/33/401034433.db2.gz SMXQLLRLWFRNDQ-GFCCVEGCSA-N 2 1 256.353 2.047 20 0 CEADMP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000651709306 401376206 /nfs/dbraw/zinc/37/62/06/401376206.db2.gz RNOKAXLSIVXRSC-KGLIPLIRSA-N 2 1 256.434 2.369 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4cnccc4o3)C2)C1 ZINC000651816209 401397669 /nfs/dbraw/zinc/39/76/69/401397669.db2.gz IOMVHTSYUFWIHD-INIZCTEOSA-N 2 1 271.364 2.355 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4cnccc4o3)C2)C1 ZINC000651816209 401397673 /nfs/dbraw/zinc/39/76/73/401397673.db2.gz IOMVHTSYUFWIHD-INIZCTEOSA-N 2 1 271.364 2.355 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4cnccc4o3)C2)C1 ZINC000651816209 401397677 /nfs/dbraw/zinc/39/76/77/401397677.db2.gz IOMVHTSYUFWIHD-INIZCTEOSA-N 2 1 271.364 2.355 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4cnccc4o3)C2)C1 ZINC000651816209 401397679 /nfs/dbraw/zinc/39/76/79/401397679.db2.gz IOMVHTSYUFWIHD-INIZCTEOSA-N 2 1 271.364 2.355 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)nnn2C ZINC000651866106 401406967 /nfs/dbraw/zinc/40/69/67/401406967.db2.gz UWLUXEHRYKICBZ-UHFFFAOYSA-N 2 1 289.427 2.036 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)nnn2C ZINC000651866106 401406971 /nfs/dbraw/zinc/40/69/71/401406971.db2.gz UWLUXEHRYKICBZ-UHFFFAOYSA-N 2 1 289.427 2.036 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000652221964 401466972 /nfs/dbraw/zinc/46/69/72/401466972.db2.gz AXESYNNTLHTUOU-OAHLLOKOSA-N 2 1 278.444 2.365 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000652221964 401466976 /nfs/dbraw/zinc/46/69/76/401466976.db2.gz AXESYNNTLHTUOU-OAHLLOKOSA-N 2 1 278.444 2.365 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000652341366 401490477 /nfs/dbraw/zinc/49/04/77/401490477.db2.gz JDVVCMMONXDARV-XJKSGUPXSA-N 2 1 264.413 2.431 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC[C@@H]3CCCCO3)C2)C1 ZINC000652350390 401491652 /nfs/dbraw/zinc/49/16/52/401491652.db2.gz WVYFLPVYLZFLPI-NCOADZHNSA-N 2 1 296.455 2.164 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC000652355616 401493452 /nfs/dbraw/zinc/49/34/52/401493452.db2.gz BCDLGGFZFOLHNO-ZBFHGGJFSA-N 3 1 267.461 2.216 20 0 CEADMP C[NH2+]CCC[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000652364287 401494810 /nfs/dbraw/zinc/49/48/10/401494810.db2.gz CZEKTPLMDQSERU-GFCCVEGCSA-N 2 1 250.361 2.397 20 0 CEADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000360240600 155252643 /nfs/dbraw/zinc/25/26/43/155252643.db2.gz GIWQKUSZSMIRJU-PVUWLOKVSA-N 2 1 292.398 2.105 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000354181222 286151278 /nfs/dbraw/zinc/15/12/78/286151278.db2.gz LCXGXHXVZRUFJB-ZNMIVQPWSA-N 2 1 254.418 2.121 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000307842546 289276293 /nfs/dbraw/zinc/27/62/93/289276293.db2.gz FIZFPKKVEQWION-KBPBESRZSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000307842546 289276298 /nfs/dbraw/zinc/27/62/98/289276298.db2.gz FIZFPKKVEQWION-KBPBESRZSA-N 2 1 256.434 2.057 20 0 CEADMP C[N@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC000188323485 153051491 /nfs/dbraw/zinc/05/14/91/153051491.db2.gz ZBCQHIMIUORAPM-SFHVURJKSA-N 2 1 288.435 2.498 20 0 CEADMP C[N@@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC000188323485 153051493 /nfs/dbraw/zinc/05/14/93/153051493.db2.gz ZBCQHIMIUORAPM-SFHVURJKSA-N 2 1 288.435 2.498 20 0 CEADMP C[NH+](C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000188323485 153051494 /nfs/dbraw/zinc/05/14/94/153051494.db2.gz ZBCQHIMIUORAPM-SFHVURJKSA-N 2 1 288.435 2.498 20 0 CEADMP C[NH+](C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000188323485 153051495 /nfs/dbraw/zinc/05/14/95/153051495.db2.gz ZBCQHIMIUORAPM-SFHVURJKSA-N 2 1 288.435 2.498 20 0 CEADMP C1=CO[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000194007928 153247093 /nfs/dbraw/zinc/24/70/93/153247093.db2.gz ZRVGMFYXDXFZKD-CVEARBPZSA-N 2 1 264.413 2.487 20 0 CEADMP Cn1ccnc1C[C@H]1CCC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000194590119 153261505 /nfs/dbraw/zinc/26/15/05/153261505.db2.gz PKQHATDSBDGTRQ-CABCVRRESA-N 2 1 275.396 2.367 20 0 CEADMP C[C@H](CC[NH3+])[NH2+]Cc1cc(F)ccc1Br ZINC000220500481 153306904 /nfs/dbraw/zinc/30/69/04/153306904.db2.gz XQVHRXAIPHXZKC-MRVPVSSYSA-N 2 1 275.165 2.415 20 0 CEADMP CCn1nc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c2ccccc21 ZINC000216176468 153294226 /nfs/dbraw/zinc/29/42/26/153294226.db2.gz IUYQLQTUJWTCBG-STQMWFEESA-N 2 1 272.396 2.225 20 0 CEADMP CCn1nc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c2ccccc21 ZINC000216176468 153294230 /nfs/dbraw/zinc/29/42/30/153294230.db2.gz IUYQLQTUJWTCBG-STQMWFEESA-N 2 1 272.396 2.225 20 0 CEADMP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(F)cc1Br ZINC000220488493 153308827 /nfs/dbraw/zinc/30/88/27/153308827.db2.gz ABQPCDSAKMBEJM-QMMMGPOBSA-N 2 1 275.165 2.415 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227278209 153344313 /nfs/dbraw/zinc/34/43/13/153344313.db2.gz XZYKXUQKOUCGAG-JSGCOSHPSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227278209 153344318 /nfs/dbraw/zinc/34/43/18/153344318.db2.gz XZYKXUQKOUCGAG-JSGCOSHPSA-N 2 1 272.396 2.215 20 0 CEADMP CC[N@H+](C)CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000344613629 154278178 /nfs/dbraw/zinc/27/81/78/154278178.db2.gz CIYKBOUPIACNER-CQSZACIVSA-N 2 1 297.830 2.011 20 0 CEADMP CC[N@@H+](C)CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000344613629 154278183 /nfs/dbraw/zinc/27/81/83/154278183.db2.gz CIYKBOUPIACNER-CQSZACIVSA-N 2 1 297.830 2.011 20 0 CEADMP CCOCc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1OC ZINC000346695002 154291270 /nfs/dbraw/zinc/29/12/70/154291270.db2.gz XRQQYIYKQYUGHX-UKRRQHHQSA-N 2 1 292.423 2.401 20 0 CEADMP CC(C)(C)n1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000346814825 154295610 /nfs/dbraw/zinc/29/56/10/154295610.db2.gz CQKMQMZFWFKTOX-RRFJBIMHSA-N 2 1 276.428 2.197 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CC=CCC2)s1 ZINC000352752110 154331312 /nfs/dbraw/zinc/33/13/12/154331312.db2.gz XLJBBDNXYZKZPO-NSHDSACASA-N 2 1 251.399 2.403 20 0 CEADMP C[C@@H](CNCc1ncc(C[NH+](C)C)s1)C[NH+]1CCCC1 ZINC000352770523 154332469 /nfs/dbraw/zinc/33/24/69/154332469.db2.gz KQHOPKOWKWHVDU-ZDUSSCGKSA-N 2 1 296.484 2.026 20 0 CEADMP CCC1([NH2+]Cc2ncc(C[NH+](C)C)s2)CCOCC1 ZINC000352786762 154338803 /nfs/dbraw/zinc/33/88/03/154338803.db2.gz JGEIVIVCQGCDEO-UHFFFAOYSA-N 2 1 283.441 2.254 20 0 CEADMP CCOc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000359455464 155019239 /nfs/dbraw/zinc/01/92/39/155019239.db2.gz JGJOQXDMUKYSJK-GJZGRUSLSA-N 2 1 290.407 2.135 20 0 CEADMP CCCOc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000359459232 155022056 /nfs/dbraw/zinc/02/20/56/155022056.db2.gz NOAIGWZVUDOZIM-HUUCEWRRSA-N 2 1 290.407 2.135 20 0 CEADMP CC(C)[C@@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361184083 155477973 /nfs/dbraw/zinc/47/79/73/155477973.db2.gz KGSADFVRQBNKBK-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+]1CCC([N@H+](CCC(=O)OC(C)C)C2CC2)CC1 ZINC000367187594 156146160 /nfs/dbraw/zinc/14/61/60/156146160.db2.gz TWUWSCOMKJDQLS-UHFFFAOYSA-N 2 1 282.428 2.277 20 0 CEADMP CC[NH+]1CCC([N@@H+](CCC(=O)OC(C)C)C2CC2)CC1 ZINC000367187594 156146162 /nfs/dbraw/zinc/14/61/62/156146162.db2.gz TWUWSCOMKJDQLS-UHFFFAOYSA-N 2 1 282.428 2.277 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@H]1CCOC1)CC2)C1CC1 ZINC000367311797 156165785 /nfs/dbraw/zinc/16/57/85/156165785.db2.gz ZWTXGGDEJRCGMM-CABCVRRESA-N 2 1 278.440 2.219 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccnc2)[C@H]2CCC[C@@H]21 ZINC000367598247 156213282 /nfs/dbraw/zinc/21/32/82/156213282.db2.gz DFSQIMUPFHFTRO-PMPSAXMXSA-N 2 1 259.397 2.087 20 0 CEADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367613941 156219265 /nfs/dbraw/zinc/21/92/65/156219265.db2.gz GLTDVPXKEGYSQR-RBSFLKMASA-N 2 1 268.445 2.248 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1 ZINC000368174195 156300711 /nfs/dbraw/zinc/30/07/11/156300711.db2.gz DOVMVDPGXHKJQF-DGCLKSJQSA-N 2 1 298.394 2.008 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)n1 ZINC000368174195 156300714 /nfs/dbraw/zinc/30/07/14/156300714.db2.gz DOVMVDPGXHKJQF-DGCLKSJQSA-N 2 1 298.394 2.008 20 0 CEADMP COC(=O)[C@]12C[N@@H+](CC[C@H]3CCC[NH+]3C)C[C@H]1CCCC2 ZINC000375298922 157071593 /nfs/dbraw/zinc/07/15/93/157071593.db2.gz ZGTDBDPSFBVONN-BFYDXBDKSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@]12C[NH+](CC[C@H]3CCC[N@@H+]3C)C[C@H]1CCCC2 ZINC000375298922 157071594 /nfs/dbraw/zinc/07/15/94/157071594.db2.gz ZGTDBDPSFBVONN-BFYDXBDKSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@]12C[NH+](CC[C@H]3CCC[N@H+]3C)C[C@H]1CCCC2 ZINC000375298922 157071597 /nfs/dbraw/zinc/07/15/97/157071597.db2.gz ZGTDBDPSFBVONN-BFYDXBDKSA-N 2 1 294.439 2.136 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc3c2OCO3)CC1 ZINC000375509815 157107242 /nfs/dbraw/zinc/10/72/42/157107242.db2.gz WXYQSOXXWQMIHO-UHFFFAOYSA-N 2 1 288.391 2.476 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000376209005 157197578 /nfs/dbraw/zinc/19/75/78/157197578.db2.gz HWUONCROOACTTA-RRFJBIMHSA-N 2 1 275.396 2.129 20 0 CEADMP CC(C)Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000376284331 157206302 /nfs/dbraw/zinc/20/63/02/157206302.db2.gz YTLIEFCLLMWULJ-HOTGVXAUSA-N 2 1 276.428 2.256 20 0 CEADMP CC(C)Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000376284331 157206303 /nfs/dbraw/zinc/20/63/03/157206303.db2.gz YTLIEFCLLMWULJ-HOTGVXAUSA-N 2 1 276.428 2.256 20 0 CEADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000376547876 157245350 /nfs/dbraw/zinc/24/53/50/157245350.db2.gz MEJDAWJJCPEBIH-APIJFGDWSA-N 2 1 286.485 2.217 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000168631482 162367540 /nfs/dbraw/zinc/36/75/40/162367540.db2.gz CNSFNIZVPGUYPJ-HIFRSBDPSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000168631482 162367543 /nfs/dbraw/zinc/36/75/43/162367543.db2.gz CNSFNIZVPGUYPJ-HIFRSBDPSA-N 2 1 270.380 2.041 20 0 CEADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000171921808 165054029 /nfs/dbraw/zinc/05/40/29/165054029.db2.gz VHGNMIMBDYDLJL-IRXDYDNUSA-N 2 1 277.456 2.197 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173618730 165079678 /nfs/dbraw/zinc/07/96/78/165079678.db2.gz WHGOZOPIYFKBKK-UONOGXRCSA-N 2 1 283.460 2.142 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1)C(C)C ZINC000173619173 165079815 /nfs/dbraw/zinc/07/98/15/165079815.db2.gz XDXYRJYKWUKDJP-OAHLLOKOSA-N 2 1 297.487 2.483 20 0 CEADMP C([C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1)[NH+]1CCCCC1 ZINC000173878925 165085766 /nfs/dbraw/zinc/08/57/66/165085766.db2.gz AAUWLFIUOGESFJ-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000178522478 165245455 /nfs/dbraw/zinc/24/54/55/165245455.db2.gz YSYMHRXVUPSRGL-CQSZACIVSA-N 2 1 292.423 2.193 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000182541498 165376184 /nfs/dbraw/zinc/37/61/84/165376184.db2.gz JTOXBDQGPZCDAI-CHWSQXEVSA-N 2 1 282.428 2.181 20 0 CEADMP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(N)=O ZINC000183153793 165385768 /nfs/dbraw/zinc/38/57/68/165385768.db2.gz FWKLCXHRWSBXHK-ABAIWWIYSA-N 2 1 286.379 2.095 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@H]1CCC[C@@H]1[NH3+] ZINC000340126375 287265156 /nfs/dbraw/zinc/26/51/56/287265156.db2.gz LSEXADLDGMGARV-OAGGEKHMSA-N 2 1 295.471 2.275 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cnn(C)c2C)CC1 ZINC000037167472 173001425 /nfs/dbraw/zinc/00/14/25/173001425.db2.gz SVMBTUHABMOTPM-GFCCVEGCSA-N 2 1 264.417 2.254 20 0 CEADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](C)CC1 ZINC000037267126 173078013 /nfs/dbraw/zinc/07/80/13/173078013.db2.gz WRAOJEYKUMIHBA-CYBMUJFWSA-N 2 1 290.407 2.420 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622955 174355803 /nfs/dbraw/zinc/35/58/03/174355803.db2.gz YQNDDTIQCMNWJW-HNNXBMFYSA-N 2 1 286.423 2.463 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000401693627 414753679 /nfs/dbraw/zinc/75/36/79/414753679.db2.gz IPCDOMFHMCNRKT-IAQYHMDHSA-N 2 1 250.361 2.264 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662836066 414766807 /nfs/dbraw/zinc/76/68/07/414766807.db2.gz VBIPDQFCPKKLQB-HRCADAONSA-N 2 1 295.471 2.131 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@@H](CC)CO1 ZINC000403773242 414768338 /nfs/dbraw/zinc/76/83/38/414768338.db2.gz DIDOEXOCKSKLBA-LSDHHAIUSA-N 2 1 254.418 2.266 20 0 CEADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)C[NH2+]C2 ZINC000662840238 414771251 /nfs/dbraw/zinc/77/12/51/414771251.db2.gz ZUKPSYDKKJEXDD-DLBZAZTESA-N 2 1 299.418 2.037 20 0 CEADMP C[C@H]([NH3+])CN1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404306370 414778275 /nfs/dbraw/zinc/77/82/75/414778275.db2.gz FRFARHKHNHOIQA-VGWMRTNUSA-N 2 1 275.440 2.317 20 0 CEADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404370613 414780570 /nfs/dbraw/zinc/78/05/70/414780570.db2.gz QWIDXXHOQHIRPQ-WCVJEAGWSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404370613 414780577 /nfs/dbraw/zinc/78/05/77/414780577.db2.gz QWIDXXHOQHIRPQ-WCVJEAGWSA-N 2 1 295.471 2.131 20 0 CEADMP CC[N@@H+](CCCNC(=O)C[NH+](C)C(C)C)C1CCCCC1 ZINC000652755668 414781793 /nfs/dbraw/zinc/78/17/93/414781793.db2.gz JEFHCSUOJWPQOT-UHFFFAOYSA-N 2 1 297.487 2.488 20 0 CEADMP CC[NH+](CCCNC(=O)C[N@H+](C)C(C)C)C1CCCCC1 ZINC000652755668 414781796 /nfs/dbraw/zinc/78/17/96/414781796.db2.gz JEFHCSUOJWPQOT-UHFFFAOYSA-N 2 1 297.487 2.488 20 0 CEADMP CC[NH+](CCCNC(=O)C[N@@H+](C)C(C)C)C1CCCCC1 ZINC000652755668 414781801 /nfs/dbraw/zinc/78/18/01/414781801.db2.gz JEFHCSUOJWPQOT-UHFFFAOYSA-N 2 1 297.487 2.488 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1O ZINC000404417647 414782817 /nfs/dbraw/zinc/78/28/17/414782817.db2.gz HDGCRWGUBJQGGR-JSGCOSHPSA-N 2 1 278.396 2.350 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])n1 ZINC000404525108 414785513 /nfs/dbraw/zinc/78/55/13/414785513.db2.gz ZEMRXOCWIZNGKZ-FZMZJTMJSA-N 2 1 263.385 2.045 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401000084 414747998 /nfs/dbraw/zinc/74/79/98/414747998.db2.gz AZQBSFSMPMRAEH-LTIDMASMSA-N 3 1 279.472 2.229 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2coc3ccccc23)C[C@H]1C[NH3+] ZINC000405298610 414792425 /nfs/dbraw/zinc/79/24/25/414792425.db2.gz MDUYOKWDFBFNJR-MLGOLLRUSA-N 2 1 274.364 2.228 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1C[NH3+] ZINC000405437019 414794457 /nfs/dbraw/zinc/79/44/57/414794457.db2.gz JTDGFKGACCDHPN-NVXWUHKLSA-N 2 1 285.391 2.030 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCOCC(F)(F)F)C2 ZINC000660654424 414917887 /nfs/dbraw/zinc/91/78/87/414917887.db2.gz GGRFLSILUOBCMN-CYBMUJFWSA-N 2 1 294.361 2.373 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCOCC(F)(F)F)C2 ZINC000660654424 414917892 /nfs/dbraw/zinc/91/78/92/414917892.db2.gz GGRFLSILUOBCMN-CYBMUJFWSA-N 2 1 294.361 2.373 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCOCC(F)(F)F)C2 ZINC000660654424 414917893 /nfs/dbraw/zinc/91/78/93/414917893.db2.gz GGRFLSILUOBCMN-CYBMUJFWSA-N 2 1 294.361 2.373 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CO1 ZINC000663343966 414920949 /nfs/dbraw/zinc/92/09/49/414920949.db2.gz LBXSPHYPSJKCGY-BZUAXINKSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000660661204 414925714 /nfs/dbraw/zinc/92/57/14/414925714.db2.gz BVYVGVXIBSBWRV-FGTMMUONSA-N 2 1 293.499 2.382 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CCC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000660661204 414925716 /nfs/dbraw/zinc/92/57/16/414925716.db2.gz BVYVGVXIBSBWRV-FGTMMUONSA-N 2 1 293.499 2.382 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CCC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000660661204 414925718 /nfs/dbraw/zinc/92/57/18/414925718.db2.gz BVYVGVXIBSBWRV-FGTMMUONSA-N 2 1 293.499 2.382 20 0 CEADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000657434394 414933686 /nfs/dbraw/zinc/93/36/86/414933686.db2.gz HJQWFBWAZPCBMZ-KFWWJZLASA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000657434394 414933688 /nfs/dbraw/zinc/93/36/88/414933688.db2.gz HJQWFBWAZPCBMZ-KFWWJZLASA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657336288 414869757 /nfs/dbraw/zinc/86/97/57/414869757.db2.gz ZSRHUYNCZKRDPL-HNNXBMFYSA-N 2 1 299.422 2.087 20 0 CEADMP CC[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[NH+](CC)CC ZINC000654309517 414897618 /nfs/dbraw/zinc/89/76/18/414897618.db2.gz AWMSVAOIJIYLSO-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](CC(F)(F)F)C2)CC[NH2+]1 ZINC000663506998 414974914 /nfs/dbraw/zinc/97/49/14/414974914.db2.gz QTLYNGCDYQQFLU-WOPDTQHZSA-N 2 1 280.334 2.028 20 0 CEADMP COC1CC(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000657529755 414988250 /nfs/dbraw/zinc/98/82/50/414988250.db2.gz ZHHBKMVJYLNONH-RAFNIBEQSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H](COCC1CC1)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000657563465 415001223 /nfs/dbraw/zinc/00/12/23/415001223.db2.gz UWNUXLDVLWNEQM-HNNXBMFYSA-N 2 1 277.412 2.442 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000657596859 415018296 /nfs/dbraw/zinc/01/82/96/415018296.db2.gz ZTGAFJGWVBBOCT-SUMWQHHRSA-N 2 1 274.408 2.141 20 0 CEADMP CC[N@@H+](CCCNC(=O)CCCC[NH3+])C1CCCCC1 ZINC000653200995 414945654 /nfs/dbraw/zinc/94/56/54/414945654.db2.gz WLCXMCHVORMUKW-UHFFFAOYSA-N 2 1 283.460 2.276 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CO1 ZINC000657457096 414946918 /nfs/dbraw/zinc/94/69/18/414946918.db2.gz FDIWWTSHUVOLOO-JYVUQVBGSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCNC(C)(C)C[NH+]2CCCC2)C1 ZINC000660762560 414963087 /nfs/dbraw/zinc/96/30/87/414963087.db2.gz MVQYESLYVPXUGR-IYBDPMFKSA-N 2 1 281.488 2.428 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCOC1(C)C ZINC000657785012 415077063 /nfs/dbraw/zinc/07/70/63/415077063.db2.gz BTMXUGGRJXPACS-ZDUSSCGKSA-N 2 1 263.385 2.052 20 0 CEADMP CCO[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@@H]1C ZINC000653747880 415091636 /nfs/dbraw/zinc/09/16/36/415091636.db2.gz NZOSTIDRUHYCJR-DZGCQCFKSA-N 2 1 265.401 2.100 20 0 CEADMP CCO[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C[C@@H]1C ZINC000653747880 415091639 /nfs/dbraw/zinc/09/16/39/415091639.db2.gz NZOSTIDRUHYCJR-DZGCQCFKSA-N 2 1 265.401 2.100 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(c3[nH+]ccc4[nH]ccc43)CC[C@H]21 ZINC000663722734 415028333 /nfs/dbraw/zinc/02/83/33/415028333.db2.gz SRCWUJIFKWKXMR-IUODEOHRSA-N 2 1 270.380 2.483 20 0 CEADMP COC1([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000658028981 415161859 /nfs/dbraw/zinc/16/18/59/415161859.db2.gz MKFQHEHJAYUFEG-RLAWYHOSSA-N 2 1 252.402 2.159 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000657838733 415100266 /nfs/dbraw/zinc/10/02/66/415100266.db2.gz XTAKBKSATKBMJH-BBWFWOEESA-N 2 1 296.455 2.035 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000657838733 415100268 /nfs/dbraw/zinc/10/02/68/415100268.db2.gz XTAKBKSATKBMJH-BBWFWOEESA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000657875614 415111353 /nfs/dbraw/zinc/11/13/53/415111353.db2.gz MWJFUBFIULUNAT-KBXCAEBGSA-N 2 1 290.451 2.009 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC2(CCCC2)CC1 ZINC000661231466 415147488 /nfs/dbraw/zinc/14/74/88/415147488.db2.gz OEWMZPCGZYDTGV-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC2(CCCC2)CC1 ZINC000661231466 415147496 /nfs/dbraw/zinc/14/74/96/415147496.db2.gz OEWMZPCGZYDTGV-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC2(CCCC2)CC1 ZINC000661231466 415147502 /nfs/dbraw/zinc/14/75/02/415147502.db2.gz OEWMZPCGZYDTGV-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC2(CCCC2)CC1 ZINC000661231466 415147509 /nfs/dbraw/zinc/14/75/09/415147509.db2.gz OEWMZPCGZYDTGV-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC2(CCCC2)CC1 ZINC000661231465 415147530 /nfs/dbraw/zinc/14/75/30/415147530.db2.gz OEWMZPCGZYDTGV-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC2(CCCC2)CC1 ZINC000661231465 415147536 /nfs/dbraw/zinc/14/75/36/415147536.db2.gz OEWMZPCGZYDTGV-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC2(CCCC2)CC1 ZINC000661231465 415147539 /nfs/dbraw/zinc/14/75/39/415147539.db2.gz OEWMZPCGZYDTGV-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC2(CCCC2)CC1 ZINC000661231465 415147547 /nfs/dbraw/zinc/14/75/47/415147547.db2.gz OEWMZPCGZYDTGV-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COC(C)(C)C2)[C@H]2CCC[C@@H]21 ZINC000658056985 415177439 /nfs/dbraw/zinc/17/74/39/415177439.db2.gz DRXHFUFCWCUXOF-CRWXNKLISA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCc2noc3ccccc32)CC[N@H+]1C ZINC000658065020 415187902 /nfs/dbraw/zinc/18/79/02/415187902.db2.gz KYDUVBWHUMOMIV-OLZOCXBDSA-N 2 1 273.380 2.443 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)c1cnn(C)c1)C[NH+]1CCCCC1 ZINC000044499875 175185029 /nfs/dbraw/zinc/18/50/29/175185029.db2.gz VHKAHRWNQWHVAD-KBPBESRZSA-N 2 1 264.417 2.193 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044529636 175194310 /nfs/dbraw/zinc/19/43/10/175194310.db2.gz PVFKJAJCUAEJCR-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP C[C@@H]1C[N@@H+](CCNc2[nH+]ccc3[nH]ccc32)[C@H](C)CO1 ZINC000664243545 415240965 /nfs/dbraw/zinc/24/09/65/415240965.db2.gz SJGGDGKSQJQFTJ-VXGBXAGGSA-N 2 1 274.368 2.084 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)CC[N@@H+]1C ZINC000658232054 415267526 /nfs/dbraw/zinc/26/75/26/415267526.db2.gz DGTIGGBPTVOJGX-XBVQOTNRSA-N 2 1 290.455 2.204 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)CC[N@H+]1C ZINC000658232054 415267534 /nfs/dbraw/zinc/26/75/34/415267534.db2.gz DGTIGGBPTVOJGX-XBVQOTNRSA-N 2 1 290.455 2.204 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[C@H]1C ZINC000658134466 415223944 /nfs/dbraw/zinc/22/39/44/415223944.db2.gz ABHKAYAQYBHNEW-BODMPHMZSA-N 2 1 288.435 2.387 20 0 CEADMP OC/C=C\C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658139423 415228491 /nfs/dbraw/zinc/22/84/91/415228491.db2.gz PLHJGYJYQWLQJC-RSYCFFIMSA-N 2 1 286.419 2.320 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H](OC)C2CCCCC2)CC1 ZINC000658329584 415318074 /nfs/dbraw/zinc/31/80/74/415318074.db2.gz MNQZDZNEIPVFRA-QGZVFWFLSA-N 2 1 298.471 2.282 20 0 CEADMP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1F ZINC000655698856 415394213 /nfs/dbraw/zinc/39/42/13/415394213.db2.gz YBZSSAYMFDUHFL-MRXNPFEDSA-N 2 1 292.398 2.477 20 0 CEADMP CCC1(CC)CCC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000661673063 415394855 /nfs/dbraw/zinc/39/48/55/415394855.db2.gz QXQHMMBMCPYGAE-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCC1(CC)CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000661673063 415394861 /nfs/dbraw/zinc/39/48/61/415394861.db2.gz QXQHMMBMCPYGAE-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCC1(CC)CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000661673063 415394866 /nfs/dbraw/zinc/39/48/66/415394866.db2.gz QXQHMMBMCPYGAE-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccnc1 ZINC000655712571 415406483 /nfs/dbraw/zinc/40/64/83/415406483.db2.gz UTGPKRRRZYHOSE-WMLDXEAASA-N 2 1 289.423 2.376 20 0 CEADMP CCC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655729835 415418548 /nfs/dbraw/zinc/41/85/48/415418548.db2.gz FQKCEWVYGRSYOS-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP c1ccc2c(c1)OCC[C@H]2C[NH2+]CCC[NH+]1CCC1 ZINC000655753938 415434509 /nfs/dbraw/zinc/43/45/09/415434509.db2.gz GEOZUAAESQVWDT-AWEZNQCLSA-N 2 1 260.381 2.238 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000661759479 415448428 /nfs/dbraw/zinc/44/84/28/415448428.db2.gz WGTHWQDRCVULCD-IAGOWNOFSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000661759479 415448434 /nfs/dbraw/zinc/44/84/34/415448434.db2.gz WGTHWQDRCVULCD-IAGOWNOFSA-N 2 1 276.424 2.258 20 0 CEADMP CCOC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000655770164 415449235 /nfs/dbraw/zinc/44/92/35/415449235.db2.gz AVCGUHCKFRRCFX-MRXNPFEDSA-N 2 1 296.455 2.179 20 0 CEADMP CCC(C)(C)OCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655775232 415455265 /nfs/dbraw/zinc/45/52/65/415455265.db2.gz SVBHXCNDGOWRLS-INIZCTEOSA-N 2 1 298.471 2.425 20 0 CEADMP CO[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)CC(C)C ZINC000655777325 415458410 /nfs/dbraw/zinc/45/84/10/415458410.db2.gz TXIUOASJRNRZFS-IRXDYDNUSA-N 2 1 298.471 2.281 20 0 CEADMP CC[C@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655779585 415458626 /nfs/dbraw/zinc/45/86/26/415458626.db2.gz OJCBPMYYZQTBMR-XIRDDKMYSA-N 2 1 298.471 2.017 20 0 CEADMP CCC[C@H](C)[C@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655792547 415474344 /nfs/dbraw/zinc/47/43/44/415474344.db2.gz LAMQQLALSSCXCQ-XIRDDKMYSA-N 2 1 298.471 2.017 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000655834636 415509367 /nfs/dbraw/zinc/50/93/67/415509367.db2.gz QJJXFLQLDOOXKI-DZUCGIPZSA-N 2 1 273.424 2.475 20 0 CEADMP C1CC1[NH+]1CCC(N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655850413 415521240 /nfs/dbraw/zinc/52/12/40/415521240.db2.gz IOEFKXOEMPOALK-DLBZAZTESA-N 2 1 277.456 2.220 20 0 CEADMP C[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252558 415651153 /nfs/dbraw/zinc/65/11/53/415651153.db2.gz SJSJBHSFLIPPPX-PQEBFOHHSA-N 2 1 274.408 2.147 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@]1(C)CC[NH2+]C1 ZINC000656194575 415628726 /nfs/dbraw/zinc/62/87/26/415628726.db2.gz LAWLOJJCMPDJJC-CQSZACIVSA-N 2 1 298.333 2.440 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@]1(C)CC[NH2+]C1 ZINC000656194575 415628728 /nfs/dbraw/zinc/62/87/28/415628728.db2.gz LAWLOJJCMPDJJC-CQSZACIVSA-N 2 1 298.333 2.440 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1c[nH+]ccc1N ZINC000665231967 415635063 /nfs/dbraw/zinc/63/50/63/415635063.db2.gz CFOKEUICTYMSLM-NWDGAFQWSA-N 2 1 256.353 2.343 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cn1 ZINC000665248951 415647521 /nfs/dbraw/zinc/64/75/21/415647521.db2.gz GMJVQGCTKNCTDM-GFCCVEGCSA-N 2 1 250.390 2.386 20 0 CEADMP Cc1[nH+]c2ccccc2c(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1C ZINC000656219440 415648075 /nfs/dbraw/zinc/64/80/75/415648075.db2.gz XPKAHLJDEFNAIE-LSDHHAIUSA-N 2 1 297.402 2.107 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000665246481 415649136 /nfs/dbraw/zinc/64/91/36/415649136.db2.gz GNFLOJVYNDPCRQ-CYBMUJFWSA-N 2 1 289.423 2.311 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C2CCC2)C1 ZINC000662044656 415596538 /nfs/dbraw/zinc/59/65/38/415596538.db2.gz RUSMMRQNJIPIJQ-HZPDHXFCSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662044656 415596544 /nfs/dbraw/zinc/59/65/44/415596544.db2.gz RUSMMRQNJIPIJQ-HZPDHXFCSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662044656 415596549 /nfs/dbraw/zinc/59/65/49/415596549.db2.gz RUSMMRQNJIPIJQ-HZPDHXFCSA-N 2 1 268.445 2.200 20 0 CEADMP [NH3+]CC1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000665252222 415651737 /nfs/dbraw/zinc/65/17/37/415651737.db2.gz KFIVYDCDMRIRGS-XAWIXRBMSA-N 3 1 287.451 2.239 20 0 CEADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCCOCC2)cc1 ZINC000665257288 415652840 /nfs/dbraw/zinc/65/28/40/415652840.db2.gz FGIDPNOJDPJMFA-ULQDDVLXSA-N 2 1 292.398 2.430 20 0 CEADMP C[C@@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1c[nH+]ccc1N ZINC000665266675 415658513 /nfs/dbraw/zinc/65/85/13/415658513.db2.gz HHJYPNANRBQLGE-ZWNOBZJWSA-N 2 1 287.338 2.288 20 0 CEADMP C[C@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1c[nH+]ccc1N ZINC000665266672 415658943 /nfs/dbraw/zinc/65/89/43/415658943.db2.gz HHJYPNANRBQLGE-GWCFXTLKSA-N 2 1 287.338 2.288 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc3n(n2)CCCC3)CC1 ZINC000656257146 415663386 /nfs/dbraw/zinc/66/33/86/415663386.db2.gz HSSFGESVITUBBR-UHFFFAOYSA-N 2 1 288.439 2.280 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc3n(n2)CCCC3)CC1 ZINC000656257146 415663392 /nfs/dbraw/zinc/66/33/92/415663392.db2.gz HSSFGESVITUBBR-UHFFFAOYSA-N 2 1 288.439 2.280 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665276827 415668072 /nfs/dbraw/zinc/66/80/72/415668072.db2.gz NQLGKLUWPNGQNU-BARLLCKDSA-N 2 1 299.462 2.239 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1C ZINC000665289450 415678821 /nfs/dbraw/zinc/67/88/21/415678821.db2.gz OKFPXCHFYZSHAT-LBPRGKRZSA-N 2 1 286.379 2.109 20 0 CEADMP C[NH2+]C[C@@H](C)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000665295587 415682875 /nfs/dbraw/zinc/68/28/75/415682875.db2.gz GGVHVHXHGLXJLS-CHWSQXEVSA-N 2 1 272.396 2.439 20 0 CEADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000665295821 415683699 /nfs/dbraw/zinc/68/36/99/415683699.db2.gz JTTFKTPOTWNBCE-SFYCDEOASA-N 2 1 287.407 2.017 20 0 CEADMP Cc1ncsc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000071212758 176084199 /nfs/dbraw/zinc/08/41/99/176084199.db2.gz SOYYXPCMKVINKU-HOSYDEDBSA-N 2 1 253.415 2.270 20 0 CEADMP Cc1ncsc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000071212758 176084200 /nfs/dbraw/zinc/08/42/00/176084200.db2.gz SOYYXPCMKVINKU-HOSYDEDBSA-N 2 1 253.415 2.270 20 0 CEADMP C[N@H+](CC[NH2+]C1CCC2(CC1)OCCO2)C1CCCC1 ZINC000071376684 176141001 /nfs/dbraw/zinc/14/10/01/176141001.db2.gz FVEMHDNDJOJYEZ-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@@H+](CC[NH2+]C1CCC2(CC1)OCCO2)C1CCCC1 ZINC000071376684 176141003 /nfs/dbraw/zinc/14/10/03/176141003.db2.gz FVEMHDNDJOJYEZ-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250739 415716233 /nfs/dbraw/zinc/71/62/33/415716233.db2.gz NCVGEEQJNVWCJK-OLZOCXBDSA-N 2 1 278.371 2.340 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254744 415721928 /nfs/dbraw/zinc/72/19/28/415721928.db2.gz KXWZOXRSSKFYLX-HZSPNIEDSA-N 2 1 252.402 2.018 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c2c(c1)C[NH2+]CC2 ZINC000662265116 415731384 /nfs/dbraw/zinc/73/13/84/415731384.db2.gz NAIZLFMNLBBOHW-IEBWSBKVSA-N 3 1 299.462 2.296 20 0 CEADMP c1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c2c(c1)C[NH2+]CC2 ZINC000662265116 415731390 /nfs/dbraw/zinc/73/13/90/415731390.db2.gz NAIZLFMNLBBOHW-IEBWSBKVSA-N 2 1 299.462 2.296 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C1CCCC1 ZINC000662266330 415732035 /nfs/dbraw/zinc/73/20/35/415732035.db2.gz LZSVSVKUWOSCSF-XUWVNRHRSA-N 2 1 266.429 2.251 20 0 CEADMP COc1cccc(SCC[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000662243103 415705328 /nfs/dbraw/zinc/70/53/28/415705328.db2.gz LWVLLGDAKBUBST-LBPRGKRZSA-N 2 1 266.410 2.068 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC000662247515 415706880 /nfs/dbraw/zinc/70/68/80/415706880.db2.gz WTUKUCPJHRMELK-SNVBAGLBSA-N 2 1 272.364 2.338 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCSc2ccc(F)cc2F)C1 ZINC000662247515 415706883 /nfs/dbraw/zinc/70/68/83/415706883.db2.gz WTUKUCPJHRMELK-SNVBAGLBSA-N 2 1 272.364 2.338 20 0 CEADMP COc1cccc(SCC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000662245563 415708369 /nfs/dbraw/zinc/70/83/69/415708369.db2.gz SFCSZZSJSXPJQB-SWLSCSKDSA-N 2 1 280.437 2.456 20 0 CEADMP CC1CCC([N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248618 415711267 /nfs/dbraw/zinc/71/12/67/415711267.db2.gz HTJMEZHCDQYKBG-RUXDESIVSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248383 415713076 /nfs/dbraw/zinc/71/30/76/415713076.db2.gz AGOJNCIQPGRHIB-YPMHNXCESA-N 2 1 296.361 2.479 20 0 CEADMP FC1(F)C[C@@H]1OCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662273568 415740126 /nfs/dbraw/zinc/74/01/26/415740126.db2.gz OLQMMMLSKWIYDF-MJBXVCDLSA-N 2 1 288.382 2.122 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)co1 ZINC000662272029 415740308 /nfs/dbraw/zinc/74/03/08/415740308.db2.gz BOLVJKDZYDGAIR-KBPBESRZSA-N 2 1 263.385 2.195 20 0 CEADMP CO[C@@H](C[N@H+](C)[C@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000662274030 415740629 /nfs/dbraw/zinc/74/06/29/415740629.db2.gz SGPHWMQVVLBMKQ-CABCVRRESA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@@H](C[N@@H+](C)[C@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000662274030 415740633 /nfs/dbraw/zinc/74/06/33/415740633.db2.gz SGPHWMQVVLBMKQ-CABCVRRESA-N 2 1 254.418 2.251 20 0 CEADMP CCc1nocc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662274525 415742301 /nfs/dbraw/zinc/74/23/01/415742301.db2.gz VEDKGTMILGIHSC-CHWSQXEVSA-N 2 1 263.385 2.059 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCO[C@H]2CC2(F)F)CC1 ZINC000659865333 415744010 /nfs/dbraw/zinc/74/40/10/415744010.db2.gz AZNGITJFBBYGSM-ZDUSSCGKSA-N 2 1 276.371 2.215 20 0 CEADMP CC1(C)C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)Cc2ccccc21 ZINC000662277007 415745622 /nfs/dbraw/zinc/74/56/22/415745622.db2.gz MYQFEBJQZAEJIJ-OAHLLOKOSA-N 2 1 286.419 2.301 20 0 CEADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC1=CCSC1 ZINC000662269801 415734916 /nfs/dbraw/zinc/73/49/16/415734916.db2.gz IDFPZZIURWDQFU-CQSZACIVSA-N 2 1 254.443 2.466 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1=CCSC1 ZINC000662269801 415734921 /nfs/dbraw/zinc/73/49/21/415734921.db2.gz IDFPZZIURWDQFU-CQSZACIVSA-N 2 1 254.443 2.466 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1=CCSC1 ZINC000662269801 415734927 /nfs/dbraw/zinc/73/49/27/415734927.db2.gz IDFPZZIURWDQFU-CQSZACIVSA-N 2 1 254.443 2.466 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1=CCSC1 ZINC000662269801 415734934 /nfs/dbraw/zinc/73/49/34/415734934.db2.gz IDFPZZIURWDQFU-CQSZACIVSA-N 2 1 254.443 2.466 20 0 CEADMP CCc1nnc([C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000662273560 415737954 /nfs/dbraw/zinc/73/79/54/415737954.db2.gz OIVRFUKUWPTIRF-BFHYXJOUSA-N 2 1 291.443 2.140 20 0 CEADMP CN(c1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cs1)C1CC1 ZINC000662273426 415738328 /nfs/dbraw/zinc/73/83/28/415738328.db2.gz WUWWHHXNVSRMMV-GFCCVEGCSA-N 2 1 294.468 2.303 20 0 CEADMP CN(c1ccccc1)[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000662315786 415774772 /nfs/dbraw/zinc/77/47/72/415774772.db2.gz HGGSUYAQOFVXFT-RDJZCZTQSA-N 2 1 273.424 2.197 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCc2ccccc2)CCO1 ZINC000662320147 415776448 /nfs/dbraw/zinc/77/64/48/415776448.db2.gz RSKGLKWRDIZEDF-KRWDZBQOSA-N 2 1 276.424 2.272 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CCc2ccccc21 ZINC000662320183 415776840 /nfs/dbraw/zinc/77/68/40/415776840.db2.gz AIIDCKRFKSRBHV-JKSUJKDBSA-N 2 1 286.419 2.169 20 0 CEADMP CCc1nocc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000662285197 415751098 /nfs/dbraw/zinc/75/10/98/415751098.db2.gz ZHHJUCLUMBWIBD-IMJJTQAJSA-N 2 1 293.411 2.098 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292470 415754367 /nfs/dbraw/zinc/75/43/67/415754367.db2.gz FKIJVRABHZSXHZ-KRWDZBQOSA-N 3 1 281.488 2.430 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(C)(C)C ZINC000659879984 415755197 /nfs/dbraw/zinc/75/51/97/415755197.db2.gz FYMYOZYXFVGHJA-KBPBESRZSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000659879984 415755202 /nfs/dbraw/zinc/75/52/02/415755202.db2.gz FYMYOZYXFVGHJA-KBPBESRZSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000659879984 415755207 /nfs/dbraw/zinc/75/52/07/415755207.db2.gz FYMYOZYXFVGHJA-KBPBESRZSA-N 2 1 256.434 2.198 20 0 CEADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296073 415759689 /nfs/dbraw/zinc/75/96/89/415759689.db2.gz JWPYXWATBJHZRO-ZFWWWQNUSA-N 2 1 295.471 2.001 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc(C)n1 ZINC000662293851 415759727 /nfs/dbraw/zinc/75/97/27/415759727.db2.gz OQMBMRPHDRWCSO-MRXNPFEDSA-N 2 1 288.439 2.305 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000662411185 415830591 /nfs/dbraw/zinc/83/05/91/415830591.db2.gz ZRZLBMJZBSNLSM-AWEZNQCLSA-N 2 1 289.423 2.134 20 0 CEADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000662317456 415778183 /nfs/dbraw/zinc/77/81/83/415778183.db2.gz PTTAFGIRIIXQIV-DOTOQJQBSA-N 2 1 273.424 2.197 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H](CC(F)(F)F)O1 ZINC000662325943 415782386 /nfs/dbraw/zinc/78/23/86/415782386.db2.gz LWSJMDOXLMOURC-WOPDTQHZSA-N 2 1 280.334 2.028 20 0 CEADMP C[N@@H+](CCCC1CC[NH2+]CC1)CC1=CCSC1 ZINC000662328062 415784118 /nfs/dbraw/zinc/78/41/18/415784118.db2.gz YDGCMDMZFVVQID-UHFFFAOYSA-N 2 1 254.443 2.371 20 0 CEADMP CC[C@@H]([NH2+]C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000662343043 415791388 /nfs/dbraw/zinc/79/13/88/415791388.db2.gz NXPBDWBQLSIXEA-ZIAGYGMSSA-N 2 1 297.830 2.057 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC000659978481 415822180 /nfs/dbraw/zinc/82/21/80/415822180.db2.gz CRSODZYUWKPYFE-DLBZAZTESA-N 2 1 298.471 2.234 20 0 CEADMP Cc1[nH+]ccn1CCCN(C)C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662507484 415868132 /nfs/dbraw/zinc/86/81/32/415868132.db2.gz NVFKOCAOMFMGJK-HNNXBMFYSA-N 2 1 294.443 2.051 20 0 CEADMP CC(C)[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1CCCC1 ZINC000660061989 415868730 /nfs/dbraw/zinc/86/87/30/415868730.db2.gz PNJHEPMKRUTWPV-HNNXBMFYSA-N 2 1 256.434 2.341 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C(C)C)C1CCCC1 ZINC000660061989 415868735 /nfs/dbraw/zinc/86/87/35/415868735.db2.gz PNJHEPMKRUTWPV-HNNXBMFYSA-N 2 1 256.434 2.341 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C(C)C)C1CCCC1 ZINC000660061989 415868739 /nfs/dbraw/zinc/86/87/39/415868739.db2.gz PNJHEPMKRUTWPV-HNNXBMFYSA-N 2 1 256.434 2.341 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CCC2)[C@@H](C)C1 ZINC000660081191 415874663 /nfs/dbraw/zinc/87/46/63/415874663.db2.gz GCPNKLKYMYUZFS-CWRNSKLLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)C2CCC2)[C@@H](C)C1 ZINC000660081191 415874666 /nfs/dbraw/zinc/87/46/66/415874666.db2.gz GCPNKLKYMYUZFS-CWRNSKLLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)C2CCC2)[C@@H](C)C1 ZINC000660081191 415874671 /nfs/dbraw/zinc/87/46/71/415874671.db2.gz GCPNKLKYMYUZFS-CWRNSKLLSA-N 2 1 268.445 2.464 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662591904 415896954 /nfs/dbraw/zinc/89/69/54/415896954.db2.gz HBFSDNAJTJNBBE-CABCVRRESA-N 2 1 297.487 2.234 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@@H]1[NH2+]CCC1(C)C)C1CCCCC1 ZINC000662680937 415929608 /nfs/dbraw/zinc/92/96/08/415929608.db2.gz PBGDCUMTNLJPSV-HNNXBMFYSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@H+](Cc1cccc(C2CCCC2)c1)C[C@@H](O)C[NH3+] ZINC000656784452 415859655 /nfs/dbraw/zinc/85/96/55/415859655.db2.gz BBNABJUHTABKLC-INIZCTEOSA-N 2 1 262.397 2.096 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC[NH2+]1 ZINC000656783309 415860430 /nfs/dbraw/zinc/86/04/30/415860430.db2.gz OWCRJOXPTZAGFJ-BFYDXBDKSA-N 3 1 279.472 2.086 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nccn1-c1ccccc1 ZINC000566737869 299019308 /nfs/dbraw/zinc/01/93/08/299019308.db2.gz NTEKWEWCROQUSU-CHWSQXEVSA-N 2 1 258.369 2.088 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000566804327 299023722 /nfs/dbraw/zinc/02/37/22/299023722.db2.gz DTJCZGRDKJYZHD-UHFFFAOYSA-N 2 1 295.427 2.406 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC000566804327 299023724 /nfs/dbraw/zinc/02/37/24/299023724.db2.gz DTJCZGRDKJYZHD-UHFFFAOYSA-N 2 1 295.427 2.406 20 0 CEADMP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000666741118 419409052 /nfs/dbraw/zinc/40/90/52/419409052.db2.gz VJMYBOAEONIQGJ-HNNXBMFYSA-N 2 1 288.395 2.158 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC[C@@H](C)[C@H]1C ZINC000310783554 419476953 /nfs/dbraw/zinc/47/69/53/419476953.db2.gz FZNMHRFGFHIGKS-KBXIAJHMSA-N 2 1 256.434 2.102 20 0 CEADMP Brc1cncc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000666857767 419450482 /nfs/dbraw/zinc/45/04/82/419450482.db2.gz INOZHLVYGNVZAF-LBPRGKRZSA-N 2 1 284.201 2.076 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000666172078 419564360 /nfs/dbraw/zinc/56/43/60/419564360.db2.gz AAZNHNOAVUORGF-AAEUAGOBSA-N 2 1 250.390 2.101 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc3n2CCC3)C[C@@H]1C ZINC000667664767 419763474 /nfs/dbraw/zinc/76/34/74/419763474.db2.gz SHSKRUPRWUZXQI-KBPBESRZSA-N 2 1 276.428 2.134 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](Cc3ccncc3)C2)CC[NH2+]1 ZINC000666693946 419777741 /nfs/dbraw/zinc/77/77/41/419777741.db2.gz NNYGGOQTQUDWLR-PVAVHDDUSA-N 2 1 273.424 2.334 20 0 CEADMP CC(C)[C@H]1CC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667758719 419792521 /nfs/dbraw/zinc/79/25/21/419792521.db2.gz MSADAJZFVVBXES-OAHLLOKOSA-N 2 1 256.353 2.498 20 0 CEADMP COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1F ZINC000259070639 270329642 /nfs/dbraw/zinc/32/96/42/270329642.db2.gz RWADCEAFSCUEEG-GFCCVEGCSA-N 2 1 252.333 2.066 20 0 CEADMP CCC[C@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000187678874 260156198 /nfs/dbraw/zinc/15/61/98/260156198.db2.gz VHLYGBNXOBKROL-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CC[NH2+]C2CC2)C1 ZINC000517757323 260202582 /nfs/dbraw/zinc/20/25/82/260202582.db2.gz RAEGBHXMGPLJBV-OKILXGFUSA-N 2 1 295.471 2.001 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCC12CCC2 ZINC000449079236 261152297 /nfs/dbraw/zinc/15/22/97/261152297.db2.gz NXIIWBKPSOBNAD-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP c1nn(Cc2ccccc2)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000390160146 262145032 /nfs/dbraw/zinc/14/50/32/262145032.db2.gz ZCMANSMOYFHAGL-UHFFFAOYSA-N 2 1 284.407 2.163 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414774013 263043572 /nfs/dbraw/zinc/04/35/72/263043572.db2.gz FBQOCTLGPPGSOS-DLBZAZTESA-N 2 1 290.455 2.361 20 0 CEADMP COCc1cnc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414774656 263043987 /nfs/dbraw/zinc/04/39/87/263043987.db2.gz FQGWFHOBEOWIGT-QWHCGFSZSA-N 2 1 295.452 2.111 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000414775696 263044517 /nfs/dbraw/zinc/04/45/17/263044517.db2.gz MNFHSQXLPHMIFO-UHFFFAOYSA-N 2 1 270.380 2.307 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000414775696 263044518 /nfs/dbraw/zinc/04/45/18/263044518.db2.gz MNFHSQXLPHMIFO-UHFFFAOYSA-N 2 1 270.380 2.307 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C)CCN1CC[NH+](C)Cc1ccccc1 ZINC000425487234 264354542 /nfs/dbraw/zinc/35/45/42/264354542.db2.gz VSLNRNWVVWZLCG-GOSISDBHSA-N 2 1 289.467 2.390 20 0 CEADMP CC(C)[C@H]1C[NH+](C)CCN1CC[N@H+](C)Cc1ccccc1 ZINC000425487234 264354543 /nfs/dbraw/zinc/35/45/43/264354543.db2.gz VSLNRNWVVWZLCG-GOSISDBHSA-N 2 1 289.467 2.390 20 0 CEADMP CC(C)[C@H]1C[NH+](C)CCN1CC[N@@H+](C)Cc1ccccc1 ZINC000425487234 264354544 /nfs/dbraw/zinc/35/45/44/264354544.db2.gz VSLNRNWVVWZLCG-GOSISDBHSA-N 2 1 289.467 2.390 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+](C)CC1)CN(C)C(=O)OC(C)(C)C ZINC000226321203 270310010 /nfs/dbraw/zinc/31/00/10/270310010.db2.gz TUYDGOZBHMKOJP-CYBMUJFWSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(C[NH3+])CC1 ZINC000260498416 270329960 /nfs/dbraw/zinc/32/99/60/270329960.db2.gz LJVKDPXQZCPXHO-LLVKDONJSA-N 2 1 295.814 2.338 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000322568057 270335156 /nfs/dbraw/zinc/33/51/56/270335156.db2.gz FHSXXTQUIQJSEP-JZIBPQBNSA-N 2 1 262.401 2.179 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000322568057 270335157 /nfs/dbraw/zinc/33/51/57/270335157.db2.gz FHSXXTQUIQJSEP-JZIBPQBNSA-N 2 1 262.401 2.179 20 0 CEADMP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000395137061 270345734 /nfs/dbraw/zinc/34/57/34/270345734.db2.gz FOWHSMCFCLUYKJ-CJNGLKHVSA-N 2 1 262.397 2.358 20 0 CEADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000420317361 270515391 /nfs/dbraw/zinc/51/53/91/270515391.db2.gz MWSQFOUYOVLZQI-QWHCGFSZSA-N 2 1 281.831 2.366 20 0 CEADMP CCC[N@@H+](CC)CCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422822861 270785288 /nfs/dbraw/zinc/78/52/88/270785288.db2.gz KYHLZQVUXOHENA-NVXWUHKLSA-N 2 1 277.456 2.266 20 0 CEADMP Cc1nc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)sc1C ZINC000422886925 270798233 /nfs/dbraw/zinc/79/82/33/270798233.db2.gz AALQKLSETFPVKT-WCQYABFASA-N 2 1 267.442 2.423 20 0 CEADMP CCc1cccc2c1OCC[C@H]2[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422950825 270804878 /nfs/dbraw/zinc/80/48/78/270804878.db2.gz ZCYKJHMLSRTKHZ-IAQYHMDHSA-N 2 1 260.381 2.270 20 0 CEADMP CCN(C)C(=O)[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C(C)C ZINC000423149601 270851427 /nfs/dbraw/zinc/85/14/27/270851427.db2.gz AMNWFRCFBDWZJV-XHSDSOJGSA-N 2 1 289.423 2.224 20 0 CEADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1nccs1 ZINC000423499030 270917844 /nfs/dbraw/zinc/91/78/44/270917844.db2.gz ACYLWQRPCPAIKL-HSBZDZAISA-N 2 1 294.468 2.010 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)C1 ZINC000424258224 271036372 /nfs/dbraw/zinc/03/63/72/271036372.db2.gz BWAOXTOZJBUBLP-OWYFMNJBSA-N 2 1 266.429 2.121 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426292179 271211315 /nfs/dbraw/zinc/21/13/15/271211315.db2.gz MVXLKYZIEHHGFW-UHFFFAOYSA-N 2 1 297.487 2.347 20 0 CEADMP COCC(C)(C)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000429257156 271317381 /nfs/dbraw/zinc/31/73/81/271317381.db2.gz NLZMZPMKDKCDMU-UHFFFAOYSA-N 2 1 253.390 2.329 20 0 CEADMP COCC(C)(C)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000429257156 271317383 /nfs/dbraw/zinc/31/73/83/271317383.db2.gz NLZMZPMKDKCDMU-UHFFFAOYSA-N 2 1 253.390 2.329 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000430560937 271390096 /nfs/dbraw/zinc/39/00/96/271390096.db2.gz JAMQGMKUOXXTJD-KLHDSHLOSA-N 2 1 297.487 2.375 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000430560937 271390099 /nfs/dbraw/zinc/39/00/99/271390099.db2.gz JAMQGMKUOXXTJD-KLHDSHLOSA-N 2 1 297.487 2.375 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000430568428 271391575 /nfs/dbraw/zinc/39/15/75/271391575.db2.gz CEPMXRWUUQDUSC-IUODEOHRSA-N 2 1 275.396 2.204 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOCCOc2ccccc2)C1 ZINC000430579472 271394072 /nfs/dbraw/zinc/39/40/72/271394072.db2.gz QILFMCQBTVTHOR-CVEARBPZSA-N 2 1 292.423 2.141 20 0 CEADMP C[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430591451 271396141 /nfs/dbraw/zinc/39/61/41/271396141.db2.gz FROQYHJDEYPSQC-RBZJEDDUSA-N 2 1 295.471 2.129 20 0 CEADMP C[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430591451 271396144 /nfs/dbraw/zinc/39/61/44/271396144.db2.gz FROQYHJDEYPSQC-RBZJEDDUSA-N 2 1 295.471 2.129 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000430598130 271397608 /nfs/dbraw/zinc/39/76/08/271397608.db2.gz NVNXCNYTMZVXND-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440637590 271773262 /nfs/dbraw/zinc/77/32/62/271773262.db2.gz OBIXGTHLORWFOH-KOLCDFICSA-N 2 1 290.333 2.391 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOC(C)C)[C@@H](C)C1 ZINC000247018498 280317787 /nfs/dbraw/zinc/31/77/87/280317787.db2.gz LZCRVCUCDVJVQG-LSDHHAIUSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOC(C)C)[C@@H](C)C1 ZINC000247018498 280317788 /nfs/dbraw/zinc/31/77/88/280317788.db2.gz LZCRVCUCDVJVQG-LSDHHAIUSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOC(C)C)[C@@H](C)C1 ZINC000247018498 280317789 /nfs/dbraw/zinc/31/77/89/280317789.db2.gz LZCRVCUCDVJVQG-LSDHHAIUSA-N 2 1 256.434 2.464 20 0 CEADMP CO[C@H]1CC[N@H+](CCCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000226409719 274080328 /nfs/dbraw/zinc/08/03/28/274080328.db2.gz WYLLAFHTRZMGHE-CVEARBPZSA-N 2 1 262.397 2.057 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000226409719 274080329 /nfs/dbraw/zinc/08/03/29/274080329.db2.gz WYLLAFHTRZMGHE-CVEARBPZSA-N 2 1 262.397 2.057 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)c2ccccc21 ZINC000358250244 274318680 /nfs/dbraw/zinc/31/86/80/274318680.db2.gz LERNNWZEFAHYLP-XOKHGSTOSA-N 2 1 274.408 2.281 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)c2ccccc21 ZINC000358250244 274318682 /nfs/dbraw/zinc/31/86/82/274318682.db2.gz LERNNWZEFAHYLP-XOKHGSTOSA-N 2 1 274.408 2.281 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC000228496925 274399907 /nfs/dbraw/zinc/39/99/07/274399907.db2.gz XAERSCZEDHZVJO-GHMZBOCLSA-N 2 1 280.799 2.444 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC000228496925 274399911 /nfs/dbraw/zinc/39/99/11/274399911.db2.gz XAERSCZEDHZVJO-GHMZBOCLSA-N 2 1 280.799 2.444 20 0 CEADMP C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCCCO1 ZINC000257682773 275392116 /nfs/dbraw/zinc/39/21/16/275392116.db2.gz LMFAVRQADDTYCR-LSDHHAIUSA-N 2 1 252.402 2.021 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCCS1 ZINC000156158345 275396090 /nfs/dbraw/zinc/39/60/90/275396090.db2.gz UICPBKZDGRCAFJ-BFHYXJOUSA-N 2 1 254.443 2.489 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCSCC1 ZINC000159904988 275396283 /nfs/dbraw/zinc/39/62/83/275396283.db2.gz XLDQOSNJJOBWTA-UONOGXRCSA-N 2 1 254.443 2.346 20 0 CEADMP CC(C)n1ccnc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357089378 275786287 /nfs/dbraw/zinc/78/62/87/275786287.db2.gz PMKPGAMIPMFFJW-OAHLLOKOSA-N 2 1 276.428 2.286 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000335560396 276031963 /nfs/dbraw/zinc/03/19/63/276031963.db2.gz CDOLFJHXEYWVQR-CZUORRHYSA-N 2 1 289.423 2.119 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)N2CCC[C@@H]2C)C1 ZINC000362391614 276105910 /nfs/dbraw/zinc/10/59/10/276105910.db2.gz SDPRZSRUJIZFNP-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC1(C)C[N@@H+](CCC[NH+]2CCCCC2)CCCO1 ZINC000372896365 276131818 /nfs/dbraw/zinc/13/18/18/276131818.db2.gz CBHJNILSEVDWHB-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250673152 276274577 /nfs/dbraw/zinc/27/45/77/276274577.db2.gz NPBNAQUBKGZSCD-CKUJCDMFSA-N 2 1 294.439 2.325 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000245944651 276386787 /nfs/dbraw/zinc/38/67/87/276386787.db2.gz WANKXGHTGYTUDK-SJLPKXTDSA-N 2 1 287.451 2.459 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000128289361 277051660 /nfs/dbraw/zinc/05/16/60/277051660.db2.gz NMWQGBJWDQPYQU-GOSISDBHSA-N 2 1 287.451 2.291 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000368235084 277060068 /nfs/dbraw/zinc/06/00/68/277060068.db2.gz NRZKVZUQDDZXFC-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000336803181 277060330 /nfs/dbraw/zinc/06/03/30/277060330.db2.gz XISHHPMNLUJSIJ-OWCLPIDISA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000336803181 277060331 /nfs/dbraw/zinc/06/03/31/277060331.db2.gz XISHHPMNLUJSIJ-OWCLPIDISA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000336803181 277060332 /nfs/dbraw/zinc/06/03/32/277060332.db2.gz XISHHPMNLUJSIJ-OWCLPIDISA-N 2 1 266.429 2.219 20 0 CEADMP C[N@@H+]1CCN(C(=O)CCCCCC[NH3+])c2ccccc2C1 ZINC000237133914 277089166 /nfs/dbraw/zinc/08/91/66/277089166.db2.gz JGIOFJHACJHPNM-UHFFFAOYSA-N 2 1 289.423 2.374 20 0 CEADMP C[N@H+]1CCN(C(=O)CCCCCC[NH3+])c2ccccc2C1 ZINC000237133914 277089168 /nfs/dbraw/zinc/08/91/68/277089168.db2.gz JGIOFJHACJHPNM-UHFFFAOYSA-N 2 1 289.423 2.374 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000414904339 277151985 /nfs/dbraw/zinc/15/19/85/277151985.db2.gz JQBHDHFHITYRON-MRXNPFEDSA-N 3 1 267.461 2.229 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000335172571 277159105 /nfs/dbraw/zinc/15/91/05/277159105.db2.gz ZJBQGSLDWDBFNZ-GDBMZVCRSA-N 2 1 266.429 2.146 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000335172571 277159106 /nfs/dbraw/zinc/15/91/06/277159106.db2.gz ZJBQGSLDWDBFNZ-GDBMZVCRSA-N 2 1 266.429 2.146 20 0 CEADMP COC[C@H](C)[NH+]1CCCC2(CCC[N@H+]([C@@H](C)COC)C2)C1 ZINC000368247458 277257696 /nfs/dbraw/zinc/25/76/96/277257696.db2.gz ZPWNDPSSXDYGFS-PYNWJHIZSA-N 2 1 298.471 2.234 20 0 CEADMP CO[C@@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000248426159 277276416 /nfs/dbraw/zinc/27/64/16/277276416.db2.gz OGJDMXSLWVGCIC-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCN(C)C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000261597237 278011511 /nfs/dbraw/zinc/01/15/11/278011511.db2.gz MWPLNNKPZAABBQ-NUJGCVRESA-N 2 1 287.451 2.363 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)CC[N@@H+]1C ZINC000248819276 278029109 /nfs/dbraw/zinc/02/91/09/278029109.db2.gz LGMKNCINQMMLSM-NMFUWQPSSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)CC[N@H+]1C ZINC000248819276 278029110 /nfs/dbraw/zinc/02/91/10/278029110.db2.gz LGMKNCINQMMLSM-NMFUWQPSSA-N 2 1 252.402 2.016 20 0 CEADMP CS[C@H]1CN(c2cc[nH+]cc2Cl)C[C@@H]1[NH+](C)C ZINC000271659464 278168263 /nfs/dbraw/zinc/16/82/63/278168263.db2.gz USAOPQXSBYRHCI-RYUDHWBXSA-N 2 1 271.817 2.217 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414910349 278216080 /nfs/dbraw/zinc/21/60/80/278216080.db2.gz UWVSXNKFRITTRC-KFWWJZLASA-N 3 1 253.434 2.029 20 0 CEADMP C[C@H](C[S@](C)=O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000346362895 278219438 /nfs/dbraw/zinc/21/94/38/278219438.db2.gz LMXYERCTBLQMBV-YJYMSZOUSA-N 2 1 286.485 2.140 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347063700 278225570 /nfs/dbraw/zinc/22/55/70/278225570.db2.gz CMTCPDWLQRVCJY-ZFWWWQNUSA-N 2 1 254.418 2.110 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000300413149 278282995 /nfs/dbraw/zinc/28/29/95/278282995.db2.gz YUVPHNJOODXXAU-AEGPPILISA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000300413149 278282997 /nfs/dbraw/zinc/28/29/97/278282997.db2.gz YUVPHNJOODXXAU-AEGPPILISA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000274976663 278284387 /nfs/dbraw/zinc/28/43/87/278284387.db2.gz YTHQAHJLZRWMTM-XYJFISCASA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000274976663 278284389 /nfs/dbraw/zinc/28/43/89/278284389.db2.gz YTHQAHJLZRWMTM-XYJFISCASA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000274976663 278284390 /nfs/dbraw/zinc/28/43/90/278284390.db2.gz YTHQAHJLZRWMTM-XYJFISCASA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]([NH3+])CCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000193302503 278305986 /nfs/dbraw/zinc/30/59/86/278305986.db2.gz ZOLCTLOYJSTCHR-OAHLLOKOSA-N 2 1 295.471 2.228 20 0 CEADMP CC(C)(C)NC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000228335563 278356926 /nfs/dbraw/zinc/35/69/26/278356926.db2.gz BSOBFTVESJMHLS-UONOGXRCSA-N 2 1 275.396 2.026 20 0 CEADMP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352509081 279098595 /nfs/dbraw/zinc/09/85/95/279098595.db2.gz IZCPASLGUCPHQZ-LSDHHAIUSA-N 2 1 283.460 2.083 20 0 CEADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352509081 279098597 /nfs/dbraw/zinc/09/85/97/279098597.db2.gz IZCPASLGUCPHQZ-LSDHHAIUSA-N 2 1 283.460 2.083 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000094371393 279133011 /nfs/dbraw/zinc/13/30/11/279133011.db2.gz SZWQDRIMULUVGC-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@H]1OC(F)F ZINC000337417540 279171894 /nfs/dbraw/zinc/17/18/94/279171894.db2.gz PTSQFJSRIWVWRR-NWDGAFQWSA-N 2 1 273.327 2.332 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358184235 279253163 /nfs/dbraw/zinc/25/31/63/279253163.db2.gz XEQUSDCWCOCSLK-VNHYZAJKSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358184235 279253165 /nfs/dbraw/zinc/25/31/65/279253165.db2.gz XEQUSDCWCOCSLK-VNHYZAJKSA-N 2 1 254.418 2.264 20 0 CEADMP CCN1CCC([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000093515910 279262622 /nfs/dbraw/zinc/26/26/22/279262622.db2.gz PEMMOYDRFMIZDB-ZBFHGGJFSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353494654 279368806 /nfs/dbraw/zinc/36/88/06/279368806.db2.gz DIARCRPXOIYXBN-YIDVYQOGSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000311909741 279372875 /nfs/dbraw/zinc/37/28/75/279372875.db2.gz SABZRYOADXZMHG-KCXAZCMYSA-N 2 1 261.413 2.450 20 0 CEADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000156030430 288152634 /nfs/dbraw/zinc/15/26/34/288152634.db2.gz GTQKXIDINPNUCV-OKILXGFUSA-N 2 1 266.429 2.218 20 0 CEADMP CCn1nccc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000125131066 279808429 /nfs/dbraw/zinc/80/84/29/279808429.db2.gz KJWXTXYLBZPAGC-UHFFFAOYSA-N 2 1 264.417 2.115 20 0 CEADMP CCOC(=O)C1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000125450223 279811283 /nfs/dbraw/zinc/81/12/83/279811283.db2.gz LGUNCISWQIPSIR-UHFFFAOYSA-N 2 1 293.411 2.247 20 0 CEADMP CC[C@@]1(C)C[N@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000135613114 280051381 /nfs/dbraw/zinc/05/13/81/280051381.db2.gz RGBOBUISIYQZER-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP CC[C@@]1(C)C[N@@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000135613114 280051386 /nfs/dbraw/zinc/05/13/86/280051386.db2.gz RGBOBUISIYQZER-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000141227000 280075085 /nfs/dbraw/zinc/07/50/85/280075085.db2.gz WLGUXOUZGAMVOM-CQSZACIVSA-N 2 1 297.443 2.070 20 0 CEADMP CC[C@@H](C)[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442864851 280115927 /nfs/dbraw/zinc/11/59/27/280115927.db2.gz APWCCVIEXNPPKO-ZIAGYGMSSA-N 2 1 255.450 2.037 20 0 CEADMP C[C@@H](CCC1CC1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000186337856 280127752 /nfs/dbraw/zinc/12/77/52/280127752.db2.gz VCFDFOPMDISMQO-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000226438425 280214777 /nfs/dbraw/zinc/21/47/77/280214777.db2.gz VTJUMMZECZIAIB-RHSMWYFYSA-N 2 1 258.409 2.475 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000236827446 280222345 /nfs/dbraw/zinc/22/23/45/280222345.db2.gz SGKMORHRQLEKTN-KBPBESRZSA-N 2 1 292.427 2.030 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000237530638 280231286 /nfs/dbraw/zinc/23/12/86/280231286.db2.gz QNCPRGAKXJMWKS-CQSZACIVSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1CC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C[C@@H](C)O1 ZINC000245583357 280251769 /nfs/dbraw/zinc/25/17/69/280251769.db2.gz IJCSMLYLFRNKJQ-RLPMIEJPSA-N 2 1 254.418 2.261 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NC2CCCC2)[C@@H](C)C1 ZINC000246433950 280293016 /nfs/dbraw/zinc/29/30/16/280293016.db2.gz CVZLVGZJFURRCJ-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NC2CCCC2)[C@@H](C)C1 ZINC000246433950 280293019 /nfs/dbraw/zinc/29/30/19/280293019.db2.gz CVZLVGZJFURRCJ-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)NC2CCCC2)[C@@H](C)C1 ZINC000246433950 280293022 /nfs/dbraw/zinc/29/30/22/280293022.db2.gz CVZLVGZJFURRCJ-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP C(C1CCOCC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246860813 280312206 /nfs/dbraw/zinc/31/22/06/280312206.db2.gz POZFXIVOVZSDNB-DOTOQJQBSA-N 2 1 278.440 2.362 20 0 CEADMP C(C1CCOCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246860813 280312207 /nfs/dbraw/zinc/31/22/07/280312207.db2.gz POZFXIVOVZSDNB-DOTOQJQBSA-N 2 1 278.440 2.362 20 0 CEADMP C(C1CCOCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246860813 280312208 /nfs/dbraw/zinc/31/22/08/280312208.db2.gz POZFXIVOVZSDNB-DOTOQJQBSA-N 2 1 278.440 2.362 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000246854963 280312259 /nfs/dbraw/zinc/31/22/59/280312259.db2.gz CFTFLMROLAZXHF-FPCVCCKLSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000246854963 280312260 /nfs/dbraw/zinc/31/22/60/280312260.db2.gz CFTFLMROLAZXHF-FPCVCCKLSA-N 3 1 267.461 2.179 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000246854963 280312261 /nfs/dbraw/zinc/31/22/61/280312261.db2.gz CFTFLMROLAZXHF-FPCVCCKLSA-N 3 1 267.461 2.179 20 0 CEADMP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC(C)C ZINC000246933176 280314755 /nfs/dbraw/zinc/31/47/55/280314755.db2.gz HGYBCBWOHPAUQX-ZNMIVQPWSA-N 2 1 299.459 2.220 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000247033772 280318558 /nfs/dbraw/zinc/31/85/58/280318558.db2.gz MJCDEQZWFGCEDG-BZUAXINKSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000247033772 280318559 /nfs/dbraw/zinc/31/85/59/280318559.db2.gz MJCDEQZWFGCEDG-BZUAXINKSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000247033772 280318562 /nfs/dbraw/zinc/31/85/62/280318562.db2.gz MJCDEQZWFGCEDG-BZUAXINKSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000247033772 280318563 /nfs/dbraw/zinc/31/85/63/280318563.db2.gz MJCDEQZWFGCEDG-BZUAXINKSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000247033772 280318565 /nfs/dbraw/zinc/31/85/65/280318565.db2.gz MJCDEQZWFGCEDG-BZUAXINKSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000247033772 280318568 /nfs/dbraw/zinc/31/85/68/280318568.db2.gz MJCDEQZWFGCEDG-BZUAXINKSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000247033772 280318570 /nfs/dbraw/zinc/31/85/70/280318570.db2.gz MJCDEQZWFGCEDG-BZUAXINKSA-N 3 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C(C)C)C2)[C@@H](C)C1 ZINC000247058182 280319322 /nfs/dbraw/zinc/31/93/22/280319322.db2.gz PIQXPFSYDIWGAX-ULQDDVLXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](C(C)C)C2)[C@@H](C)C1 ZINC000247058182 280319323 /nfs/dbraw/zinc/31/93/23/280319323.db2.gz PIQXPFSYDIWGAX-ULQDDVLXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](C(C)C)C2)[C@@H](C)C1 ZINC000247058182 280319326 /nfs/dbraw/zinc/31/93/26/280319326.db2.gz PIQXPFSYDIWGAX-ULQDDVLXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C(C)C)C2)[C@@H](C)C1 ZINC000247058182 280319328 /nfs/dbraw/zinc/31/93/28/280319328.db2.gz PIQXPFSYDIWGAX-ULQDDVLXSA-N 3 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C(C)C)C2)[C@@H](C)C1 ZINC000247058182 280319332 /nfs/dbraw/zinc/31/93/32/280319332.db2.gz PIQXPFSYDIWGAX-ULQDDVLXSA-N 3 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)[C@@H](C)C1 ZINC000247058182 280319336 /nfs/dbraw/zinc/31/93/36/280319336.db2.gz PIQXPFSYDIWGAX-ULQDDVLXSA-N 3 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)[C@@H](C)C1 ZINC000247058182 280319338 /nfs/dbraw/zinc/31/93/38/280319338.db2.gz PIQXPFSYDIWGAX-ULQDDVLXSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353613861 280341206 /nfs/dbraw/zinc/34/12/06/280341206.db2.gz QFGQHSXQBJTFTJ-WCVJEAGWSA-N 2 1 280.456 2.246 20 0 CEADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000248141730 280342749 /nfs/dbraw/zinc/34/27/49/280342749.db2.gz PRURDBCMWCHGEW-AYRXBEOTSA-N 2 1 256.434 2.102 20 0 CEADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000248141736 280342755 /nfs/dbraw/zinc/34/27/55/280342755.db2.gz PRURDBCMWCHGEW-QHSBEEBCSA-N 2 1 256.434 2.102 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnn2C)C1 ZINC000249052804 280381539 /nfs/dbraw/zinc/38/15/39/280381539.db2.gz XXRIORHUVXRVJV-KGLIPLIRSA-N 2 1 264.417 2.191 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnn2C)C1 ZINC000249052804 280381541 /nfs/dbraw/zinc/38/15/41/280381541.db2.gz XXRIORHUVXRVJV-KGLIPLIRSA-N 2 1 264.417 2.191 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C1CCOCC1 ZINC000249202723 280388617 /nfs/dbraw/zinc/38/86/17/280388617.db2.gz UJMBKOMBJVBVCU-DOTOQJQBSA-N 2 1 298.471 2.138 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCCC[C@H]1O ZINC000249361708 280393813 /nfs/dbraw/zinc/39/38/13/280393813.db2.gz LRNOQYHANHEZCE-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP COc1ccccc1C1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422844158 280933697 /nfs/dbraw/zinc/93/36/97/280933697.db2.gz KZJJYIOSGWSLLW-UKRRQHHQSA-N 2 1 274.408 2.457 20 0 CEADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422872824 280942831 /nfs/dbraw/zinc/94/28/31/280942831.db2.gz IUEKGBAKTWQCOD-JTQLQIEISA-N 2 1 270.323 2.294 20 0 CEADMP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422873431 280943390 /nfs/dbraw/zinc/94/33/90/280943390.db2.gz AFSVUUNRNSYDLK-WCXIOVBPSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000422913716 280962210 /nfs/dbraw/zinc/96/22/10/280962210.db2.gz QOJBAWFUFSUQMS-FZMZJTMJSA-N 2 1 295.814 2.256 20 0 CEADMP Cc1cnc([C@@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000423032235 281003145 /nfs/dbraw/zinc/00/31/45/281003145.db2.gz FCDPHTFDFJPLEM-WCQGTBRESA-N 2 1 253.415 2.285 20 0 CEADMP COC1CCC(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423037636 281004280 /nfs/dbraw/zinc/00/42/80/281004280.db2.gz NFFLHWBEGNERHZ-XSCHDIRWSA-N 2 1 254.418 2.169 20 0 CEADMP C[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000423043746 281005953 /nfs/dbraw/zinc/00/59/53/281005953.db2.gz PWAWABJFDYTQMZ-YQQAZPJKSA-N 3 1 287.451 2.095 20 0 CEADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000423043746 281005954 /nfs/dbraw/zinc/00/59/54/281005954.db2.gz PWAWABJFDYTQMZ-YQQAZPJKSA-N 3 1 287.451 2.095 20 0 CEADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000423043746 281005957 /nfs/dbraw/zinc/00/59/57/281005957.db2.gz PWAWABJFDYTQMZ-YQQAZPJKSA-N 3 1 287.451 2.095 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000423048141 281009422 /nfs/dbraw/zinc/00/94/22/281009422.db2.gz IFASAFCQKSGWEO-IWCQGFGOSA-N 2 1 274.408 2.494 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1Cc2ccccc2N(C)C1)[C@H]1CCCC[NH2+]1 ZINC000423061291 281015527 /nfs/dbraw/zinc/01/55/27/281015527.db2.gz QLZZXEBRFIYGCT-BFYDXBDKSA-N 2 1 287.451 2.415 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423162274 281020515 /nfs/dbraw/zinc/02/05/15/281020515.db2.gz OYUKPCSHVIIHTN-PNBKFKSVSA-N 2 1 289.423 2.422 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423404631 281030867 /nfs/dbraw/zinc/03/08/67/281030867.db2.gz SOPVUIYRCKTCJH-STQMWFEESA-N 2 1 277.412 2.166 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1(C)C ZINC000423405619 281031199 /nfs/dbraw/zinc/03/11/99/281031199.db2.gz ZVLIIJWPBBQRBT-YIYPIFLZSA-N 2 1 254.418 2.309 20 0 CEADMP Brc1cccc2c1CC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423447132 281044978 /nfs/dbraw/zinc/04/49/78/281044978.db2.gz ZLPDGIFRCMTYBQ-WVWOOGAGSA-N 2 1 293.208 2.244 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423469831 281050795 /nfs/dbraw/zinc/05/07/95/281050795.db2.gz KTHJGKRSJHYQBX-SVGFKBNWSA-N 2 1 275.440 2.052 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)C1CCCC1 ZINC000423514378 281059188 /nfs/dbraw/zinc/05/91/88/281059188.db2.gz WJQDYTWMKXLCQV-CVEARBPZSA-N 2 1 274.408 2.487 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000423729137 281084635 /nfs/dbraw/zinc/08/46/35/281084635.db2.gz NRWFNESWLWZIBX-LXTVHRRPSA-N 2 1 295.471 2.224 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000429591448 281248413 /nfs/dbraw/zinc/24/84/13/281248413.db2.gz QURGUPCZFXEHHN-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CC[C@H](C)C2)CC1 ZINC000429591450 281248434 /nfs/dbraw/zinc/24/84/34/281248434.db2.gz QURGUPCZFXEHHN-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@]1(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC[NH2+]C1 ZINC000119608839 281301634 /nfs/dbraw/zinc/30/16/34/281301634.db2.gz JJHQPJPKQSMAEH-RDJZCZTQSA-N 2 1 295.471 2.004 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000431572132 281308846 /nfs/dbraw/zinc/30/88/46/281308846.db2.gz SKLGZBYXJRUODQ-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000435430603 281389605 /nfs/dbraw/zinc/38/96/05/281389605.db2.gz CZCPRRQEXDNZHO-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435688402 281391429 /nfs/dbraw/zinc/39/14/29/281391429.db2.gz OQYLGCJLTCKVQP-GFCCVEGCSA-N 2 1 265.426 2.497 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CCCOCC2)CCCCC1 ZINC000086869687 282046045 /nfs/dbraw/zinc/04/60/45/282046045.db2.gz FWZYZEWCSIULDZ-AWEZNQCLSA-N 2 1 254.418 2.410 20 0 CEADMP CCC(CC)(CCO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000305151584 282067187 /nfs/dbraw/zinc/06/71/87/282067187.db2.gz OWUVAELEZBYQAZ-RBSFLKMASA-N 2 1 270.461 2.494 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](COC)Cc2ccccc2)CC1 ZINC000159295555 289250393 /nfs/dbraw/zinc/25/03/93/289250393.db2.gz LLJBCUYLUMBTHV-QGZVFWFLSA-N 2 1 276.424 2.318 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353525763 289308975 /nfs/dbraw/zinc/30/89/75/289308975.db2.gz ZAJGQIICKKNFFN-UTSKFRMZSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353525763 289308979 /nfs/dbraw/zinc/30/89/79/289308979.db2.gz ZAJGQIICKKNFFN-UTSKFRMZSA-N 3 1 279.472 2.322 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353525763 289308981 /nfs/dbraw/zinc/30/89/81/289308981.db2.gz ZAJGQIICKKNFFN-UTSKFRMZSA-N 3 1 279.472 2.322 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCCO1 ZINC000356696385 290019250 /nfs/dbraw/zinc/01/92/50/290019250.db2.gz LWTUISWJRISYEB-LJISPDSOSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]([NH2+][C@H]1CCCOc2c(F)cccc21)C1C[NH2+]C1 ZINC000335565777 290046786 /nfs/dbraw/zinc/04/67/86/290046786.db2.gz SGSLAMKVIYVKJL-HZMBPMFUSA-N 2 1 264.344 2.237 20 0 CEADMP CC(C)OC1CC([N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000459344160 290122621 /nfs/dbraw/zinc/12/26/21/290122621.db2.gz RGIZVUDXSHBRIZ-QQFBHYJXSA-N 2 1 266.429 2.360 20 0 CEADMP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000459489832 290162361 /nfs/dbraw/zinc/16/23/61/290162361.db2.gz VXZKOKIGZSQQRO-UONOGXRCSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1OCCc2sccc21 ZINC000459491963 290163170 /nfs/dbraw/zinc/16/31/70/290163170.db2.gz NAPFBQJPNIZJOE-XHDPSFHLSA-N 2 1 291.420 2.316 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000459656149 290205504 /nfs/dbraw/zinc/20/55/04/290205504.db2.gz FPVUYZXALHROCF-BBRMVZONSA-N 2 1 272.396 2.154 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000459716002 290216138 /nfs/dbraw/zinc/21/61/38/290216138.db2.gz ZBKLOAGZQJDXRO-ARFHVFGLSA-N 2 1 286.419 2.379 20 0 CEADMP Cn1c2ccccc2nc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459725212 290218525 /nfs/dbraw/zinc/21/85/25/290218525.db2.gz FSLGQWNMZFNFEN-AWEZNQCLSA-N 2 1 286.423 2.395 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459799769 290244870 /nfs/dbraw/zinc/24/48/70/290244870.db2.gz XYHXQUGYQZTEDC-JKSUJKDBSA-N 2 1 277.412 2.065 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459799769 290244873 /nfs/dbraw/zinc/24/48/73/290244873.db2.gz XYHXQUGYQZTEDC-JKSUJKDBSA-N 2 1 277.412 2.065 20 0 CEADMP C[C@H](c1cccnc1)[NH+]1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414694737 290270904 /nfs/dbraw/zinc/27/09/04/290270904.db2.gz NPWVKPWKBISWQJ-OAHLLOKOSA-N 2 1 290.455 2.148 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2C)C1 ZINC000488351782 290391879 /nfs/dbraw/zinc/39/18/79/290391879.db2.gz MVIQFTQSPJKTKB-RRFJBIMHSA-N 2 1 254.418 2.075 20 0 CEADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000261719449 295182671 /nfs/dbraw/zinc/18/26/71/295182671.db2.gz KCVABNZIZSMXID-SLEUVZQESA-N 2 1 278.396 2.352 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1CC1 ZINC000414798320 295243782 /nfs/dbraw/zinc/24/37/82/295243782.db2.gz BZDGCVHWMUFYFW-VQXHTEKXSA-N 2 1 250.308 2.434 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](CCN(C)C)C2CCCC2)CC[NH2+]1 ZINC000414735773 297395889 /nfs/dbraw/zinc/39/58/89/297395889.db2.gz MOLLXJHIJLBWBA-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530176642 298045231 /nfs/dbraw/zinc/04/52/31/298045231.db2.gz DTYHCGIJLJHDFD-LSDHHAIUSA-N 2 1 293.455 2.042 20 0 CEADMP CC[C@H]([NH2+]CCc1ccc(OC)nc1)[C@H]1CCCC[NH2+]1 ZINC000530218103 298053854 /nfs/dbraw/zinc/05/38/54/298053854.db2.gz FBNAZDLBCQYINO-LSDHHAIUSA-N 2 1 277.412 2.143 20 0 CEADMP CC[C@@H]([NH2+]CCc1ccc(OC)nc1)[C@H]1CCCC[NH2+]1 ZINC000530218102 298053997 /nfs/dbraw/zinc/05/39/97/298053997.db2.gz FBNAZDLBCQYINO-HUUCEWRRSA-N 2 1 277.412 2.143 20 0 CEADMP OCc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000530220190 298055066 /nfs/dbraw/zinc/05/50/66/298055066.db2.gz JKGDXBWHVWGYBB-RHSMWYFYSA-N 2 1 292.398 2.282 20 0 CEADMP OCc1ccc(F)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000530220190 298055068 /nfs/dbraw/zinc/05/50/68/298055068.db2.gz JKGDXBWHVWGYBB-RHSMWYFYSA-N 2 1 292.398 2.282 20 0 CEADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC34CC(C3)CO4)CC[NH2+]2)cc1 ZINC000530223377 298056161 /nfs/dbraw/zinc/05/61/61/298056161.db2.gz UTRPLGVYHSRKJZ-DBGUYSSFSA-N 2 1 272.392 2.248 20 0 CEADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCOCC1 ZINC000537309160 298208401 /nfs/dbraw/zinc/20/84/01/298208401.db2.gz YIVXITFKYBXBFP-HNNXBMFYSA-N 2 1 252.402 2.043 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000541744191 298284068 /nfs/dbraw/zinc/28/40/68/298284068.db2.gz YZIVVJIJXXRYEJ-INWMFGNUSA-N 2 1 296.842 2.488 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000567350850 299055257 /nfs/dbraw/zinc/05/52/57/299055257.db2.gz ARFRLRZLBMLVLD-HOTGVXAUSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371304157 300253977 /nfs/dbraw/zinc/25/39/77/300253977.db2.gz ROUGAJZFOREVLZ-HOTGVXAUSA-N 2 1 281.488 2.380 20 0 CEADMP CN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000517146051 313103844 /nfs/dbraw/zinc/10/38/44/313103844.db2.gz XASZKAAAKJPRRR-KRWDZBQOSA-N 2 1 289.467 2.438 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCOC2)[C@H](C)C1 ZINC000527929630 313216195 /nfs/dbraw/zinc/21/61/95/313216195.db2.gz QMBFWRSAYBEKLN-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527960508 313220826 /nfs/dbraw/zinc/22/08/26/313220826.db2.gz CVPPQOQTVDNGEM-IOASZLSFSA-N 2 1 286.423 2.392 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530179761 313280525 /nfs/dbraw/zinc/28/05/25/313280525.db2.gz WWOQBNSNTMYTSQ-NXHRZFHOSA-N 2 1 299.462 2.381 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000530225370 313285275 /nfs/dbraw/zinc/28/52/75/313285275.db2.gz YUXNOSDAYRBKKR-DJIMGWMZSA-N 2 1 292.398 2.067 20 0 CEADMP CCn1nccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000535811432 313399958 /nfs/dbraw/zinc/39/99/58/313399958.db2.gz CQRJPHQAQXWIOI-UHFFFAOYSA-N 2 1 278.444 2.455 20 0 CEADMP COC(=O)CC1([NH2+]CCCn2cc[nH+]c2C)CCCCC1 ZINC000536476264 313403200 /nfs/dbraw/zinc/40/32/00/313403200.db2.gz NFMCGLIPRYQWMV-UHFFFAOYSA-N 2 1 293.411 2.437 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC1(C2CCC2)CCC1)C1CC1 ZINC000569803808 314014268 /nfs/dbraw/zinc/01/42/68/314014268.db2.gz DMVDJAVXJWOMKV-OAHLLOKOSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(C2CCC2)CCC1)C1CC1 ZINC000569803808 314014271 /nfs/dbraw/zinc/01/42/71/314014271.db2.gz DMVDJAVXJWOMKV-OAHLLOKOSA-N 2 1 266.429 2.002 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000570320930 314033324 /nfs/dbraw/zinc/03/33/24/314033324.db2.gz OXSPJSSIRDFYEI-KBPBESRZSA-N 2 1 276.380 2.207 20 0 CEADMP CCCc1nc(C)c(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)o1 ZINC000572234351 314125708 /nfs/dbraw/zinc/12/57/08/314125708.db2.gz VECYSEXCKPRVTH-YPMHNXCESA-N 2 1 265.401 2.413 20 0 CEADMP CC[NH2+]CCCN[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000573555751 314166690 /nfs/dbraw/zinc/16/66/90/314166690.db2.gz ZMDJGZARGPYQDY-WBVHZDCISA-N 2 1 275.440 2.239 20 0 CEADMP Cc1ccccc1[C@H](C)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000573953649 314186930 /nfs/dbraw/zinc/18/69/30/314186930.db2.gz HLTZHCPNEGFTNO-ZDUSSCGKSA-N 2 1 299.422 2.431 20 0 CEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000574172486 314194388 /nfs/dbraw/zinc/19/43/88/314194388.db2.gz SRMXJIRLCPOWDX-KGLIPLIRSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CC2(O)CCCC2)C1 ZINC000576270741 314258208 /nfs/dbraw/zinc/25/82/08/314258208.db2.gz BQOYGYMLAPCJHL-HNNXBMFYSA-N 2 1 268.445 2.393 20 0 CEADMP C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1c[nH+]ccc1N ZINC000576695241 314301687 /nfs/dbraw/zinc/30/16/87/314301687.db2.gz LKBDQRREERJLJG-LBPRGKRZSA-N 2 1 275.396 2.088 20 0 CEADMP Clc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000577382525 314370620 /nfs/dbraw/zinc/37/06/20/314370620.db2.gz VXQOHQZKCHQACM-NHYWBVRUSA-N 2 1 280.799 2.295 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1scnc1C1CC1 ZINC000580341926 322312319 /nfs/dbraw/zinc/31/23/19/322312319.db2.gz NPGCBGHYKUVFSS-MWLCHTKSSA-N 2 1 251.399 2.332 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1scnc1C1CC1 ZINC000580341926 322312321 /nfs/dbraw/zinc/31/23/21/322312321.db2.gz NPGCBGHYKUVFSS-MWLCHTKSSA-N 2 1 251.399 2.332 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000580552894 322325961 /nfs/dbraw/zinc/32/59/61/322325961.db2.gz GMFUJAQNJAIWNQ-NWDGAFQWSA-N 2 1 282.350 2.154 20 0 CEADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000582667043 322492328 /nfs/dbraw/zinc/49/23/28/322492328.db2.gz VDBYYIRHZGQSFH-DLBZAZTESA-N 3 1 267.376 2.380 20 0 CEADMP C[C@@H](c1nccc(N)n1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000583329988 322539890 /nfs/dbraw/zinc/53/98/90/322539890.db2.gz IROLOGRJMXPCIL-ZDUSSCGKSA-N 2 1 291.443 2.004 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC2(COC)CC2)[C@@H](C)C1 ZINC000584231714 327070824 /nfs/dbraw/zinc/07/08/24/327070824.db2.gz MYDFTOJPFLVFAF-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)[C@H](C)C1 ZINC000560910419 327351796 /nfs/dbraw/zinc/35/17/96/327351796.db2.gz RXCBXJHRZWRNEO-QBPKDAKJSA-N 2 1 298.471 2.017 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](O)CC2)[C@@H](C)C1 ZINC000560910415 327351901 /nfs/dbraw/zinc/35/19/01/327351901.db2.gz RXCBXJHRZWRNEO-QAETUUGQSA-N 2 1 298.471 2.017 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC000414940514 500615449 /nfs/dbraw/zinc/61/54/49/500615449.db2.gz BQJUBWRQTXITDM-DZGCQCFKSA-N 2 1 276.428 2.156 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H](O)c2ccccc2)C1 ZINC000286403555 500680400 /nfs/dbraw/zinc/68/04/00/500680400.db2.gz LKWQFGVALVEGDI-NVXWUHKLSA-N 2 1 276.424 2.384 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000286403555 500680402 /nfs/dbraw/zinc/68/04/02/500680402.db2.gz LKWQFGVALVEGDI-NVXWUHKLSA-N 2 1 276.424 2.384 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000286403555 500680406 /nfs/dbraw/zinc/68/04/06/500680406.db2.gz LKWQFGVALVEGDI-NVXWUHKLSA-N 2 1 276.424 2.384 20 0 CEADMP Cc1noc(C)c1CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000166028904 534338139 /nfs/dbraw/zinc/33/81/39/534338139.db2.gz WQDOXPIZHYRRGA-CQSZACIVSA-N 2 1 265.401 2.108 20 0 CEADMP Cc1noc(C)c1CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000166028904 534338151 /nfs/dbraw/zinc/33/81/51/534338151.db2.gz WQDOXPIZHYRRGA-CQSZACIVSA-N 2 1 265.401 2.108 20 0 CEADMP Cc1noc(C)c1CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000166028904 534338161 /nfs/dbraw/zinc/33/81/61/534338161.db2.gz WQDOXPIZHYRRGA-CQSZACIVSA-N 2 1 265.401 2.108 20 0 CEADMP Cc1noc(C)c1CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000166028904 534338170 /nfs/dbraw/zinc/33/81/70/534338170.db2.gz WQDOXPIZHYRRGA-CQSZACIVSA-N 2 1 265.401 2.108 20 0 CEADMP C(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000155812855 518391477 /nfs/dbraw/zinc/39/14/77/518391477.db2.gz QRQCRKOMEJGNBL-HZPDHXFCSA-N 2 1 265.445 2.079 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000370777598 519606632 /nfs/dbraw/zinc/60/66/32/519606632.db2.gz ZPKMZWFBXBPAKG-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1nnc([C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)[nH]1 ZINC000411418414 534536718 /nfs/dbraw/zinc/53/67/18/534536718.db2.gz FWNSNHBLZANYNZ-GFCCVEGCSA-N 2 1 279.432 2.228 20 0 CEADMP Cc1occc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000414392694 534572317 /nfs/dbraw/zinc/57/23/17/534572317.db2.gz CHOCWLKUCLTCKG-BZUAXINKSA-N 2 1 278.396 2.272 20 0 CEADMP Cc1occc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000414392694 534572321 /nfs/dbraw/zinc/57/23/21/534572321.db2.gz CHOCWLKUCLTCKG-BZUAXINKSA-N 2 1 278.396 2.272 20 0 CEADMP Cc1occc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000414395388 534574513 /nfs/dbraw/zinc/57/45/13/534574513.db2.gz QPGLMNYMCXLHTN-AWEZNQCLSA-N 2 1 278.396 2.179 20 0 CEADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000050953188 523515473 /nfs/dbraw/zinc/51/54/73/523515473.db2.gz DEQONMJTEIQETF-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CSC[C@H]1C ZINC000352797316 534769976 /nfs/dbraw/zinc/76/99/76/534769976.db2.gz WKYQKLHOJLACAB-DGCLKSJQSA-N 2 1 253.415 2.313 20 0 CEADMP C[C@H](C[NH+]1CCOCC1)Nc1cc[nH+]c2ccccc12 ZINC000049509237 524359286 /nfs/dbraw/zinc/35/92/86/524359286.db2.gz DTJYMUJCMGFLEQ-CYBMUJFWSA-N 2 1 271.364 2.367 20 0 CEADMP COc1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000157980430 524961978 /nfs/dbraw/zinc/96/19/78/524961978.db2.gz MDSMAOHNPZBFBV-LSDHHAIUSA-N 2 1 290.407 2.290 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3CC[C@H]2CO)CC[N@@H+]1C ZINC000365156088 525448878 /nfs/dbraw/zinc/44/88/78/525448878.db2.gz LPFMYANBYZQKLR-NOVWEMISSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3CC[C@H]2CO)CC[N@H+]1C ZINC000365156088 525448881 /nfs/dbraw/zinc/44/88/81/525448881.db2.gz LPFMYANBYZQKLR-NOVWEMISSA-N 2 1 288.435 2.355 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000365192282 527404012 /nfs/dbraw/zinc/40/40/12/527404012.db2.gz PSGFDUKWKXGPCY-GJZGRUSLSA-N 2 1 263.385 2.129 20 0 CEADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)C1 ZINC000355957569 529048791 /nfs/dbraw/zinc/04/87/91/529048791.db2.gz ZRBIEWYBTKYQGH-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP c1nc(C2CC2)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000335352612 574469547 /nfs/dbraw/zinc/46/95/47/574469547.db2.gz FHEFVVQRNYKHKY-NWDGAFQWSA-N 2 1 263.410 2.062 20 0 CEADMP c1nc(C2CC2)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000335352612 574469548 /nfs/dbraw/zinc/46/95/48/574469548.db2.gz FHEFVVQRNYKHKY-NWDGAFQWSA-N 2 1 263.410 2.062 20 0 CEADMP CCCOC(=O)[C@@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000741782929 574998020 /nfs/dbraw/zinc/99/80/20/574998020.db2.gz OLYKIYUPTBXNPH-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]C[C@H]2C[C@]2(C)Br)CC1 ZINC000893305295 628282428 /nfs/dbraw/zinc/28/24/28/628282428.db2.gz UKRLUMQKLFGHPM-NEPJUHHUSA-N 2 1 273.218 2.011 20 0 CEADMP CC(C)[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981338320 613966920 /nfs/dbraw/zinc/96/69/20/613966920.db2.gz VWAFUJKWQQLYBN-HUUCEWRRSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)C[N@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000981369093 614088376 /nfs/dbraw/zinc/08/83/76/614088376.db2.gz APENHYAMEBELFZ-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000981369093 614088378 /nfs/dbraw/zinc/08/83/78/614088378.db2.gz APENHYAMEBELFZ-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000981369093 614088380 /nfs/dbraw/zinc/08/83/80/614088380.db2.gz APENHYAMEBELFZ-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000972651892 614324048 /nfs/dbraw/zinc/32/40/48/614324048.db2.gz UXUWHIRVDIONJL-MRXNPFEDSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940843181 614386277 /nfs/dbraw/zinc/38/62/77/614386277.db2.gz YUJMYANFDKAIAW-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940843181 614386278 /nfs/dbraw/zinc/38/62/78/614386278.db2.gz YUJMYANFDKAIAW-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940843181 614386279 /nfs/dbraw/zinc/38/62/79/614386279.db2.gz YUJMYANFDKAIAW-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974733197 614402084 /nfs/dbraw/zinc/40/20/84/614402084.db2.gz RNQPWSBTSWJZFG-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974733197 614402087 /nfs/dbraw/zinc/40/20/87/614402087.db2.gz RNQPWSBTSWJZFG-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000974733197 614402089 /nfs/dbraw/zinc/40/20/89/614402089.db2.gz RNQPWSBTSWJZFG-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000974733197 614402091 /nfs/dbraw/zinc/40/20/91/614402091.db2.gz RNQPWSBTSWJZFG-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[NH+](CCC)CC2)C1 ZINC000981806094 614638589 /nfs/dbraw/zinc/63/85/89/614638589.db2.gz NHHRQTKZOJTJGR-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[N@H+](CCC)CC2)C1 ZINC000981806094 614638592 /nfs/dbraw/zinc/63/85/92/614638592.db2.gz NHHRQTKZOJTJGR-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[N@@H+](CCC)CC2)C1 ZINC000981806094 614638596 /nfs/dbraw/zinc/63/85/96/614638596.db2.gz NHHRQTKZOJTJGR-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP CCN(C(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CCC(C)C)C1 ZINC000950627584 614668419 /nfs/dbraw/zinc/66/84/19/614668419.db2.gz DQDCVHVMZZCPDF-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](CCC(C)C)C1 ZINC000950627584 614668421 /nfs/dbraw/zinc/66/84/21/614668421.db2.gz DQDCVHVMZZCPDF-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948766752 614673442 /nfs/dbraw/zinc/67/34/42/614673442.db2.gz NLQBHEHMLIPUTM-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000948766752 614673444 /nfs/dbraw/zinc/67/34/44/614673444.db2.gz NLQBHEHMLIPUTM-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000948766752 614673447 /nfs/dbraw/zinc/67/34/47/614673447.db2.gz NLQBHEHMLIPUTM-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726111 614748498 /nfs/dbraw/zinc/74/84/98/614748498.db2.gz IVRMHKJAWGWVAW-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726111 614748501 /nfs/dbraw/zinc/74/85/01/614748501.db2.gz IVRMHKJAWGWVAW-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726111 614748506 /nfs/dbraw/zinc/74/85/06/614748506.db2.gz IVRMHKJAWGWVAW-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974575928 614809318 /nfs/dbraw/zinc/80/93/18/614809318.db2.gz KFEOYVFCJHFVLL-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974575928 614809321 /nfs/dbraw/zinc/80/93/21/614809321.db2.gz KFEOYVFCJHFVLL-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974575928 614809323 /nfs/dbraw/zinc/80/93/23/614809323.db2.gz KFEOYVFCJHFVLL-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000950469945 614963474 /nfs/dbraw/zinc/96/34/74/614963474.db2.gz UZBDPQVXVMVMOT-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000950469945 614963476 /nfs/dbraw/zinc/96/34/76/614963476.db2.gz UZBDPQVXVMVMOT-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947684528 615010887 /nfs/dbraw/zinc/01/08/87/615010887.db2.gz IRLMCFFAVXNDRO-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCNC(NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)=[NH+]CC ZINC000066244479 622655437 /nfs/dbraw/zinc/65/54/37/622655437.db2.gz PXLQBJDMLOIWTO-CQSZACIVSA-N 2 1 288.439 2.008 20 0 CEADMP CCNC(NC[C@@H](C)[N@H+]1CCc2ccccc2C1)=[NH+]CC ZINC000066244479 622655442 /nfs/dbraw/zinc/65/54/42/622655442.db2.gz PXLQBJDMLOIWTO-CQSZACIVSA-N 2 1 288.439 2.008 20 0 CEADMP Cc1cc(N(C)C2CC[NH+](C(C)C)CC2)nc(C)[nH+]1 ZINC000079023251 622720173 /nfs/dbraw/zinc/72/01/73/622720173.db2.gz MGMRGJITOFWBGG-UHFFFAOYSA-N 2 1 262.401 2.402 20 0 CEADMP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000890878490 623034525 /nfs/dbraw/zinc/03/45/25/623034525.db2.gz BNUNSTMINMJHAG-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050248474 623373362 /nfs/dbraw/zinc/37/33/62/623373362.db2.gz JRVVVJDIRAXVHG-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257703889 623617288 /nfs/dbraw/zinc/61/72/88/623617288.db2.gz QSAGQPKDEZNQBL-INIZCTEOSA-N 2 1 260.381 2.059 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257703889 623617295 /nfs/dbraw/zinc/61/72/95/623617295.db2.gz QSAGQPKDEZNQBL-INIZCTEOSA-N 2 1 260.381 2.059 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933372662 623688373 /nfs/dbraw/zinc/68/83/73/623688373.db2.gz HMJKJLVTYVKDAS-AWEZNQCLSA-N 2 1 263.385 2.273 20 0 CEADMP Cc1cc(N)nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000891505033 623749737 /nfs/dbraw/zinc/74/97/37/623749737.db2.gz DUIBJIIUQWHTJK-CQSZACIVSA-N 2 1 283.379 2.054 20 0 CEADMP Cc1cc(N)nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000891505033 623749741 /nfs/dbraw/zinc/74/97/41/623749741.db2.gz DUIBJIIUQWHTJK-CQSZACIVSA-N 2 1 283.379 2.054 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCOc3ccccc3C2)CC1 ZINC000891755533 623946001 /nfs/dbraw/zinc/94/60/01/623946001.db2.gz XCXPLPQJWVTFQG-UHFFFAOYSA-N 2 1 260.381 2.223 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](CCCC3CCOCC3)C[C@]2(C)C1 ZINC000933731836 623980682 /nfs/dbraw/zinc/98/06/82/623980682.db2.gz IFKJGOALNPAWJI-CVEARBPZSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCCC3CCOCC3)C[C@]2(C)C1 ZINC000933731836 623980686 /nfs/dbraw/zinc/98/06/86/623980686.db2.gz IFKJGOALNPAWJI-CVEARBPZSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@]2(C)C1 ZINC000933731836 623980688 /nfs/dbraw/zinc/98/06/88/623980688.db2.gz IFKJGOALNPAWJI-CVEARBPZSA-N 2 1 266.429 2.077 20 0 CEADMP CCC(O)(CC)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926257654 624029215 /nfs/dbraw/zinc/02/92/15/624029215.db2.gz ZZMULMCIVHZSRZ-MQVJKMGUSA-N 2 1 298.471 2.159 20 0 CEADMP OC[C@H]1CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000934017702 624167734 /nfs/dbraw/zinc/16/77/34/624167734.db2.gz HCTIZFGZWKYUOL-QGZVFWFLSA-N 2 1 274.408 2.239 20 0 CEADMP COC(=O)C[C@@H]([NH2+]CCCn1cc[nH+]c1C)C(C)(C)C ZINC000934031787 624176706 /nfs/dbraw/zinc/17/67/06/624176706.db2.gz QZWWTXKTMAKZRX-CYBMUJFWSA-N 2 1 281.400 2.149 20 0 CEADMP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001022806202 624626988 /nfs/dbraw/zinc/62/69/88/624626988.db2.gz ATRAPAOZEPDVIV-OWCLPIDISA-N 2 1 295.471 2.142 20 0 CEADMP c1cc2c(c(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c1)OCO2 ZINC000249934092 625082135 /nfs/dbraw/zinc/08/21/35/625082135.db2.gz ACMRQPURECRNDC-RBSFLKMASA-N 2 1 288.391 2.426 20 0 CEADMP CC1CCN(C(=[NH2+])NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000262794483 625188092 /nfs/dbraw/zinc/18/80/92/625188092.db2.gz NGQCZCNEEAFHDH-HNNXBMFYSA-N 2 1 278.444 2.260 20 0 CEADMP c1cn(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cn1 ZINC000820804891 634532421 /nfs/dbraw/zinc/53/24/21/634532421.db2.gz BNZLAMXLTHJDRX-VHRNVKJDSA-N 3 1 274.412 2.021 20 0 CEADMP CSC(C)(C)CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000820860543 634553303 /nfs/dbraw/zinc/55/33/03/634553303.db2.gz IBNXLVCPWRLMIP-UHFFFAOYSA-N 2 1 288.501 2.297 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000161000251 627297110 /nfs/dbraw/zinc/29/71/10/627297110.db2.gz NOFAFXWDLPESQL-HZPDHXFCSA-N 3 1 267.461 2.323 20 0 CEADMP Cc1cc(F)ncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000892606359 627305372 /nfs/dbraw/zinc/30/53/72/627305372.db2.gz AFXOUKRWPYMYNU-UONOGXRCSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1cc(F)ncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000892606359 627305377 /nfs/dbraw/zinc/30/53/77/627305377.db2.gz AFXOUKRWPYMYNU-UONOGXRCSA-N 2 1 263.360 2.246 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001007457503 627370920 /nfs/dbraw/zinc/37/09/20/627370920.db2.gz OWQGMGPWVMFIKB-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001007457503 627370925 /nfs/dbraw/zinc/37/09/25/627370925.db2.gz OWQGMGPWVMFIKB-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001007457503 627370926 /nfs/dbraw/zinc/37/09/26/627370926.db2.gz OWQGMGPWVMFIKB-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000892667844 627375401 /nfs/dbraw/zinc/37/54/01/627375401.db2.gz CCGOXJSXOVJPCK-OAHLLOKOSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000892667844 627375406 /nfs/dbraw/zinc/37/54/06/627375406.db2.gz CCGOXJSXOVJPCK-OAHLLOKOSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000892667842 627375634 /nfs/dbraw/zinc/37/56/34/627375634.db2.gz CCGOXJSXOVJPCK-HNNXBMFYSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000892667842 627375636 /nfs/dbraw/zinc/37/56/36/627375636.db2.gz CCGOXJSXOVJPCK-HNNXBMFYSA-N 3 1 281.488 2.428 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000311871394 627710487 /nfs/dbraw/zinc/71/04/87/627710487.db2.gz LUEKYVZADCRSDF-HUUCEWRRSA-N 2 1 260.381 2.058 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000311871394 627710488 /nfs/dbraw/zinc/71/04/88/627710488.db2.gz LUEKYVZADCRSDF-HUUCEWRRSA-N 2 1 260.381 2.058 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(C)c2C2CC2)C1 ZINC000892746250 627748442 /nfs/dbraw/zinc/74/84/42/627748442.db2.gz WDFFGPFOLMKHOF-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(C)c2C2CC2)C1 ZINC000892746250 627748445 /nfs/dbraw/zinc/74/84/45/627748445.db2.gz WDFFGPFOLMKHOF-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP CN(C)c1cc[nH+]c(CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000926881517 627903494 /nfs/dbraw/zinc/90/34/94/627903494.db2.gz BSGDBLXTGOMMGW-DLBZAZTESA-N 2 1 288.439 2.254 20 0 CEADMP CN(C)c1cc[nH+]c(CN[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000926881517 627903498 /nfs/dbraw/zinc/90/34/98/627903498.db2.gz BSGDBLXTGOMMGW-DLBZAZTESA-N 2 1 288.439 2.254 20 0 CEADMP Cc1ccc2nc(C[NH2+]CC3CC[NH+](C)CC3)[nH]c2c1 ZINC000893089891 627991998 /nfs/dbraw/zinc/99/19/98/627991998.db2.gz LZAJJKRQHNJXCV-UHFFFAOYSA-N 2 1 272.396 2.303 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000925513970 628049889 /nfs/dbraw/zinc/04/98/89/628049889.db2.gz CJHSFSKVLAYCMU-IUODEOHRSA-N 2 1 266.360 2.325 20 0 CEADMP CCc1noc(C)c1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902388236 634630012 /nfs/dbraw/zinc/63/00/12/634630012.db2.gz OAZZIYSOAOYCPQ-GFCCVEGCSA-N 2 1 265.401 2.413 20 0 CEADMP [NH3+]CCCC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000902389846 634630877 /nfs/dbraw/zinc/63/08/77/634630877.db2.gz BBHPRHATQKROMY-INIZCTEOSA-N 3 1 297.393 2.477 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000925538106 628152537 /nfs/dbraw/zinc/15/25/37/628152537.db2.gz RJEUIOKBIWIMEV-ZMSDIMECSA-N 2 1 273.424 2.243 20 0 CEADMP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925553208 628207515 /nfs/dbraw/zinc/20/75/15/628207515.db2.gz OPLIVJBRIARKRU-IMJJTQAJSA-N 2 1 276.424 2.271 20 0 CEADMP CN(C[C@H]([NH3+])CC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309901145 628227655 /nfs/dbraw/zinc/22/76/55/628227655.db2.gz IIANKZCTQJHMSA-CABCVRRESA-N 2 1 297.393 2.175 20 0 CEADMP CCn1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925567207 628240249 /nfs/dbraw/zinc/24/02/49/628240249.db2.gz BGUMOAQQOBVNTE-HZPDHXFCSA-N 2 1 276.428 2.161 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925607578 628287454 /nfs/dbraw/zinc/28/74/54/628287454.db2.gz WAIIRHMJDSLMNI-HOTGVXAUSA-N 2 1 289.423 2.348 20 0 CEADMP CCOc1cccc(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925615489 628300270 /nfs/dbraw/zinc/30/02/70/628300270.db2.gz HRZXAYHQPAWVGX-CZUORRHYSA-N 2 1 262.397 2.358 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000925617136 628303892 /nfs/dbraw/zinc/30/38/92/628303892.db2.gz VANMECIEXDGPKY-YOEHRIQHSA-N 3 1 288.439 2.028 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cn2)C12CCC2 ZINC000925636492 628335241 /nfs/dbraw/zinc/33/52/41/628335241.db2.gz SSNWTLYMMMLGQN-RYUDHWBXSA-N 2 1 251.761 2.095 20 0 CEADMP C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000925653049 628357915 /nfs/dbraw/zinc/35/79/15/628357915.db2.gz VHBLNYRBULUAHK-JKSUJKDBSA-N 2 1 277.456 2.268 20 0 CEADMP C[N@H+]1C[C@@]2(C)CN(C[C@@H](O)c3cccc(F)c3)C[C@@]2(C)C1 ZINC000931309551 628510485 /nfs/dbraw/zinc/51/04/85/628510485.db2.gz ZJHIHITXYBZNGN-ZACQAIPSSA-N 2 1 292.398 2.133 20 0 CEADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc3cncn3c2)C1 ZINC000925692324 628510682 /nfs/dbraw/zinc/51/06/82/628510682.db2.gz JOXHLKBXVJTQNO-UONOGXRCSA-N 2 1 272.396 2.330 20 0 CEADMP C[C@@H]([NH3+])[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000925701840 628541078 /nfs/dbraw/zinc/54/10/78/628541078.db2.gz GTNFZOWLBRENDW-VDERGJSUSA-N 3 1 261.413 2.005 20 0 CEADMP C[C@@H]([NH3+])[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000925701840 628541080 /nfs/dbraw/zinc/54/10/80/628541080.db2.gz GTNFZOWLBRENDW-VDERGJSUSA-N 2 1 261.413 2.005 20 0 CEADMP C[C@@H]([NH3+])[C@H](NCCC1CC[NH2+]CC1)c1ccccc1 ZINC000925702659 628542809 /nfs/dbraw/zinc/54/28/09/628542809.db2.gz QMECUYCPRRBFQJ-CJNGLKHVSA-N 2 1 261.413 2.054 20 0 CEADMP C[C@@H]([NH3+])[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1 ZINC000925702659 628542813 /nfs/dbraw/zinc/54/28/13/628542813.db2.gz QMECUYCPRRBFQJ-CJNGLKHVSA-N 3 1 261.413 2.054 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902473429 634665404 /nfs/dbraw/zinc/66/54/04/634665404.db2.gz YCRFSYRKXKIUCV-JSQNDZKTSA-N 2 1 274.408 2.499 20 0 CEADMP Cc1cccc2nc(CC[NH2+][C@@H]3CC[NH2+]C34CCCC4)cn21 ZINC000925714364 628570981 /nfs/dbraw/zinc/57/09/81/628570981.db2.gz XUFMCLZWDXIICJ-MRXNPFEDSA-N 2 1 298.434 2.450 20 0 CEADMP Fc1cccc(CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257666233 628598571 /nfs/dbraw/zinc/59/85/71/628598571.db2.gz HHQCGBOTXXNHLR-MRXNPFEDSA-N 2 1 262.372 2.444 20 0 CEADMP Fc1cccc(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257666233 628598574 /nfs/dbraw/zinc/59/85/74/628598574.db2.gz HHQCGBOTXXNHLR-MRXNPFEDSA-N 2 1 262.372 2.444 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H]1c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000258192295 628696220 /nfs/dbraw/zinc/69/62/20/628696220.db2.gz YRUONIWBVIQOLS-VXGBXAGGSA-N 2 1 264.373 2.082 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000258192295 628696224 /nfs/dbraw/zinc/69/62/24/628696224.db2.gz YRUONIWBVIQOLS-VXGBXAGGSA-N 2 1 264.373 2.082 20 0 CEADMP CC(C)[C@H]1CC[C@H]1[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750183 628709986 /nfs/dbraw/zinc/70/99/86/628709986.db2.gz DLOMBOMNRCRXKL-ZYHUDNBSSA-N 2 1 265.426 2.395 20 0 CEADMP CC(C)[C@H]1CC[C@H]1[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750183 628709987 /nfs/dbraw/zinc/70/99/87/628709987.db2.gz DLOMBOMNRCRXKL-ZYHUDNBSSA-N 2 1 265.426 2.395 20 0 CEADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c(Cl)n1 ZINC000925768282 628760409 /nfs/dbraw/zinc/76/04/09/628760409.db2.gz ZMXQKNZYXRWVBV-WDEREUQCSA-N 2 1 253.777 2.131 20 0 CEADMP CCC1(CC)[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@@H]1OC ZINC000902471286 634688047 /nfs/dbraw/zinc/68/80/47/634688047.db2.gz LZNSEXUAZDQSPH-ZSLBOAEBSA-N 2 1 252.402 2.063 20 0 CEADMP C1CC1[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)C1CCC1 ZINC000925792584 628838422 /nfs/dbraw/zinc/83/84/22/628838422.db2.gz AXVFFCYJFNQPEL-HZPDHXFCSA-N 2 1 278.440 2.313 20 0 CEADMP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC[C@H]2N)CC1 ZINC000925825190 628896335 /nfs/dbraw/zinc/89/63/35/628896335.db2.gz XUYAXVWBAJLXNH-FYRZTWFESA-N 2 1 265.445 2.253 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cnc2ccccc2c1 ZINC000925835656 628932421 /nfs/dbraw/zinc/93/24/21/628932421.db2.gz RRFZLPGYDHNVBC-GUYCJALGSA-N 2 1 269.392 2.365 20 0 CEADMP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261657051 628964552 /nfs/dbraw/zinc/96/45/52/628964552.db2.gz KECBOTVFZSXBSI-CHWSQXEVSA-N 2 1 295.377 2.005 20 0 CEADMP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261657051 628964555 /nfs/dbraw/zinc/96/45/55/628964555.db2.gz KECBOTVFZSXBSI-CHWSQXEVSA-N 2 1 295.377 2.005 20 0 CEADMP COC[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)C(C)C ZINC000925873415 628972622 /nfs/dbraw/zinc/97/26/22/628972622.db2.gz JKFLZOSXQLOFIF-RYUDHWBXSA-N 2 1 251.374 2.063 20 0 CEADMP C([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)[C@@H]1CCCCC[NH2+]1 ZINC000902484525 634701666 /nfs/dbraw/zinc/70/16/66/634701666.db2.gz WCRNJOCUWVJGKE-DGAVXFQQSA-N 2 1 286.510 2.488 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3COC[C@H]3C3CC3)CC[NH2+]2)cc1 ZINC000902516548 634710401 /nfs/dbraw/zinc/71/04/01/634710401.db2.gz DJKBQLMIPBOQDE-OWSLCNJRSA-N 2 1 286.419 2.494 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(N)c2)[C@@H](C)C1 ZINC000261718330 629149718 /nfs/dbraw/zinc/14/97/18/629149718.db2.gz QTODPYJKQUKLPR-BBRMVZONSA-N 2 1 261.413 2.431 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(N)c2)[C@@H](C)C1 ZINC000261718330 629149720 /nfs/dbraw/zinc/14/97/20/629149720.db2.gz QTODPYJKQUKLPR-BBRMVZONSA-N 2 1 261.413 2.431 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(N)c2)[C@@H](C)C1 ZINC000261718330 629149723 /nfs/dbraw/zinc/14/97/23/629149723.db2.gz QTODPYJKQUKLPR-BBRMVZONSA-N 2 1 261.413 2.431 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000237067065 629184700 /nfs/dbraw/zinc/18/47/00/629184700.db2.gz HQAYLUKZTFZARX-GDBMZVCRSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@@H+](CCCOC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878607971 629245231 /nfs/dbraw/zinc/24/52/31/629245231.db2.gz BDROQEGLBWJHMR-FOSCPWQOSA-N 2 1 280.334 2.470 20 0 CEADMP C[NH+](CCCOC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000878607971 629245237 /nfs/dbraw/zinc/24/52/37/629245237.db2.gz BDROQEGLBWJHMR-FOSCPWQOSA-N 2 1 280.334 2.470 20 0 CEADMP C[NH+](CCCOC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000878607971 629245240 /nfs/dbraw/zinc/24/52/40/629245240.db2.gz BDROQEGLBWJHMR-FOSCPWQOSA-N 2 1 280.334 2.470 20 0 CEADMP C[N@@H+](CCN[C@H]1CCC[NH+]2CCCC[C@@H]12)C1CCCC1 ZINC000924969293 629308965 /nfs/dbraw/zinc/30/89/65/629308965.db2.gz ILZDZXVHJRJXMD-IRXDYDNUSA-N 2 1 279.472 2.467 20 0 CEADMP C[NH+](CCN[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000924969293 629308971 /nfs/dbraw/zinc/30/89/71/629308971.db2.gz ILZDZXVHJRJXMD-IRXDYDNUSA-N 2 1 279.472 2.467 20 0 CEADMP C[NH+](CCN[C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000924969293 629308975 /nfs/dbraw/zinc/30/89/75/629308975.db2.gz ILZDZXVHJRJXMD-IRXDYDNUSA-N 2 1 279.472 2.467 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000894358451 629389392 /nfs/dbraw/zinc/38/93/92/629389392.db2.gz GEOGBASJZASIQW-GJZGRUSLSA-N 2 1 268.445 2.369 20 0 CEADMP Oc1cccc2c(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc[nH+]c12 ZINC000795082426 629431157 /nfs/dbraw/zinc/43/11/57/629431157.db2.gz YESIHJVWLDGASP-OLZOCXBDSA-N 2 1 299.374 2.216 20 0 CEADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000795087241 629433072 /nfs/dbraw/zinc/43/30/72/629433072.db2.gz SJSQYBWGCMIRFI-QAPCUYQASA-N 2 1 297.402 2.326 20 0 CEADMP Cc1noc([C@@H]2CCCC[N@@H+]2CC2CC[NH+](C)CC2)n1 ZINC000894436451 629461786 /nfs/dbraw/zinc/46/17/86/629461786.db2.gz JYEVIMCPUSTINU-AWEZNQCLSA-N 2 1 278.400 2.247 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)COC4)C2)C1 ZINC000795317948 629514454 /nfs/dbraw/zinc/51/44/54/629514454.db2.gz WYZNTBNSALMARN-KRWDZBQOSA-N 2 1 272.392 2.244 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)COC4)C2)C1 ZINC000795317948 629514461 /nfs/dbraw/zinc/51/44/61/629514461.db2.gz WYZNTBNSALMARN-KRWDZBQOSA-N 2 1 272.392 2.244 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)COC4)C2)C1 ZINC000795317948 629514465 /nfs/dbraw/zinc/51/44/65/629514465.db2.gz WYZNTBNSALMARN-KRWDZBQOSA-N 2 1 272.392 2.244 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4c(c3)COC4)C2)C1 ZINC000795317948 629514470 /nfs/dbraw/zinc/51/44/70/629514470.db2.gz WYZNTBNSALMARN-KRWDZBQOSA-N 2 1 272.392 2.244 20 0 CEADMP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cnc1F ZINC000894861040 629698421 /nfs/dbraw/zinc/69/84/21/629698421.db2.gz OASKYUKYUSSRQK-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP COc1ccc([C@H](C)[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000909415162 629724228 /nfs/dbraw/zinc/72/42/28/629724228.db2.gz QNTCWXCQJIHRMA-GOEBONIOSA-N 2 1 292.423 2.145 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C)C1CC1 ZINC000895381972 630152763 /nfs/dbraw/zinc/15/27/63/630152763.db2.gz YMBJIBMTNQTWGR-NUEKZKHPSA-N 2 1 268.445 2.464 20 0 CEADMP Cn1ncc2c1CC(C)(C)C[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC000895485724 630221675 /nfs/dbraw/zinc/22/16/75/630221675.db2.gz FOTCDYVYQRIJPI-UHFFFAOYSA-N 2 1 290.455 2.146 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000895542243 630243454 /nfs/dbraw/zinc/24/34/54/630243454.db2.gz VMDCJHTXTGOCLB-ZDUSSCGKSA-N 2 1 295.471 2.285 20 0 CEADMP Cc1n[nH]c(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1C ZINC000895557630 630248763 /nfs/dbraw/zinc/24/87/63/630248763.db2.gz PRDMERNJGMMMHF-LBPRGKRZSA-N 2 1 285.395 2.132 20 0 CEADMP Cc1n[nH]c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1C ZINC000895557630 630248767 /nfs/dbraw/zinc/24/87/67/630248767.db2.gz PRDMERNJGMMMHF-LBPRGKRZSA-N 2 1 285.395 2.132 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cn(C)nn1 ZINC000902747751 634807408 /nfs/dbraw/zinc/80/74/08/634807408.db2.gz IAXVUHWICSMOTQ-KGLIPLIRSA-N 2 1 279.432 2.120 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)C[NH+](C)C ZINC000896879934 630699526 /nfs/dbraw/zinc/69/95/26/630699526.db2.gz IYYAURLANUOKCE-MGPQQGTHSA-N 2 1 288.501 2.463 20 0 CEADMP Cc1c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cnn1C ZINC000798957159 630956491 /nfs/dbraw/zinc/95/64/91/630956491.db2.gz WWMXJYTWENXZSX-UHFFFAOYSA-N 2 1 276.428 2.036 20 0 CEADMP CCc1nn(C)cc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956695 630957073 /nfs/dbraw/zinc/95/70/73/630957073.db2.gz KFLPKNHQWPVTIA-UHFFFAOYSA-N 2 1 290.455 2.290 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000904299979 635554301 /nfs/dbraw/zinc/55/43/01/635554301.db2.gz SUSCOZXLRBFJQQ-HIFRSBDPSA-N 2 1 290.407 2.341 20 0 CEADMP C[C@]1(C[N@@H+](CCCO)Cc2ccccc2)CCC[NH2+]C1 ZINC000904316841 635564628 /nfs/dbraw/zinc/56/46/28/635564628.db2.gz UWLWVHMULYRMLM-KRWDZBQOSA-N 2 1 276.424 2.261 20 0 CEADMP CC(C)C[C@@H]1COCC[N@@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904320459 635566577 /nfs/dbraw/zinc/56/65/77/635566577.db2.gz ICMSTSKQYWEOCM-CABCVRRESA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)C[C@@H]1COCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904320459 635566583 /nfs/dbraw/zinc/56/65/83/635566583.db2.gz ICMSTSKQYWEOCM-CABCVRRESA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)CC[NH+]1CCC(NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000925198606 631170232 /nfs/dbraw/zinc/17/02/32/631170232.db2.gz VVMLVIIFGZGMMK-INIZCTEOSA-N 2 1 281.488 2.428 20 0 CEADMP COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000035054316 631307621 /nfs/dbraw/zinc/30/76/21/631307621.db2.gz OJDGGYUMVCYCPS-UHFFFAOYSA-N 2 1 290.407 2.420 20 0 CEADMP CC[C@H]1C[C@@H](C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCO1 ZINC000897621826 631827923 /nfs/dbraw/zinc/82/79/23/631827923.db2.gz VONULHKBRMOBJH-YHUYYLMFSA-N 2 1 266.429 2.075 20 0 CEADMP CC[C@H]1C[C@@H](C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCO1 ZINC000897621826 631827930 /nfs/dbraw/zinc/82/79/30/631827930.db2.gz VONULHKBRMOBJH-YHUYYLMFSA-N 2 1 266.429 2.075 20 0 CEADMP CC[C@H]1C[C@@H](C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCO1 ZINC000897621826 631827935 /nfs/dbraw/zinc/82/79/35/631827935.db2.gz VONULHKBRMOBJH-YHUYYLMFSA-N 2 1 266.429 2.075 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCN(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897620509 631831199 /nfs/dbraw/zinc/83/11/99/631831199.db2.gz QZLJIWLDQJBDCM-LMMKCTJWSA-N 2 1 299.462 2.396 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCN(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897620509 631831202 /nfs/dbraw/zinc/83/12/02/631831202.db2.gz QZLJIWLDQJBDCM-LMMKCTJWSA-N 2 1 299.462 2.396 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCN(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897620509 631831205 /nfs/dbraw/zinc/83/12/05/631831205.db2.gz QZLJIWLDQJBDCM-LMMKCTJWSA-N 2 1 299.462 2.396 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CCO)C2CCCC2)CC1(C)C ZINC000897881793 631958448 /nfs/dbraw/zinc/95/84/48/631958448.db2.gz ALYOGGIHNHDLFE-HUUCEWRRSA-N 2 1 268.445 2.390 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000897886067 631961941 /nfs/dbraw/zinc/96/19/41/631961941.db2.gz UOLNXATXOIRPOP-HNNXBMFYSA-N 2 1 277.412 2.178 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)C(C)C)C1 ZINC000808731866 632008203 /nfs/dbraw/zinc/00/82/03/632008203.db2.gz CJTVUAIQVGDHML-AWEZNQCLSA-N 2 1 254.418 2.265 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)C(C)C)C1 ZINC000808731866 632008199 /nfs/dbraw/zinc/00/81/99/632008199.db2.gz CJTVUAIQVGDHML-AWEZNQCLSA-N 2 1 254.418 2.265 20 0 CEADMP CC1(C)CCC[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)O1 ZINC000898047346 632011562 /nfs/dbraw/zinc/01/15/62/632011562.db2.gz XXCSRNMNDBALLN-CVEARBPZSA-N 2 1 296.455 2.177 20 0 CEADMP C[C@@H](O)c1ncc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)s1 ZINC000809607542 632109521 /nfs/dbraw/zinc/10/95/21/632109521.db2.gz CSTDONAUTTXUGO-QWHCGFSZSA-N 2 1 297.468 2.408 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(CO)o2)cc1 ZINC000809738812 632135765 /nfs/dbraw/zinc/13/57/65/632135765.db2.gz KVJZQIVUQMIFPM-UHFFFAOYSA-N 2 1 288.391 2.466 20 0 CEADMP CC(C)n1ncc2cc(C[NH2+][C@H](C)CC[NH3+])c(Cl)nc21 ZINC000841051013 632354418 /nfs/dbraw/zinc/35/44/18/632354418.db2.gz MNDSWWYKSQCFEY-SNVBAGLBSA-N 2 1 295.818 2.493 20 0 CEADMP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C[C@@H]1CCC(=O)N1)CC(C)C ZINC000924634120 632368935 /nfs/dbraw/zinc/36/89/35/632368935.db2.gz XWHSMQGLOFKFHR-PMPSAXMXSA-N 2 1 297.487 2.390 20 0 CEADMP Cc1[nH+]ccn1CCCCOC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000923888251 632380389 /nfs/dbraw/zinc/38/03/89/632380389.db2.gz CMHFCGWLZCPMLB-HNNXBMFYSA-N 2 1 293.411 2.388 20 0 CEADMP Cc1[nH+]ccn1CCCCOC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000923888251 632380394 /nfs/dbraw/zinc/38/03/94/632380394.db2.gz CMHFCGWLZCPMLB-HNNXBMFYSA-N 2 1 293.411 2.388 20 0 CEADMP CC[C@H](C[NH2+]C1CC2(C1)CO[C@H](C)C2)[NH+]1CCCC1 ZINC000924640701 632380448 /nfs/dbraw/zinc/38/04/48/632380448.db2.gz YLEXITOQBOZTPO-YHNBSYBMSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1[nH+]ccn1CCCCOC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000923888255 632380728 /nfs/dbraw/zinc/38/07/28/632380728.db2.gz CMHFCGWLZCPMLB-OAHLLOKOSA-N 2 1 293.411 2.388 20 0 CEADMP Cc1[nH+]ccn1CCCCOC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000923888255 632380731 /nfs/dbraw/zinc/38/07/31/632380731.db2.gz CMHFCGWLZCPMLB-OAHLLOKOSA-N 2 1 293.411 2.388 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H](C)Cc1ccc(OC)cc1)C[NH+](C)C ZINC000926960682 632388102 /nfs/dbraw/zinc/38/81/02/632388102.db2.gz GMEHYNUKENDTLZ-YOEHRIQHSA-N 2 1 294.439 2.183 20 0 CEADMP CCO[C@H](C[NH2+][C@@H](C)Cc1cccc(F)c1)C[NH+](C)C ZINC000926962802 632390177 /nfs/dbraw/zinc/39/01/77/632390177.db2.gz MYUPPIHQNOLOFY-XJKSGUPXSA-N 2 1 282.403 2.313 20 0 CEADMP CCO[C@H](C[NH2+][C@@H](C)C1CCSCC1)C[NH+](C)C ZINC000926964530 632392276 /nfs/dbraw/zinc/39/22/76/632392276.db2.gz XSDOUISDBSDJGD-GXTWGEPZSA-N 2 1 274.474 2.074 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc3c2OCCO3)CC[N@H+]1C ZINC000927094394 632459185 /nfs/dbraw/zinc/45/91/85/632459185.db2.gz VKEIDWSBAUGTFY-HIFRSBDPSA-N 2 1 290.407 2.073 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C(C)(C)CO)cn1 ZINC000924725217 632468431 /nfs/dbraw/zinc/46/84/31/632468431.db2.gz URIBBJPLAANFAI-GFCCVEGCSA-N 2 1 288.395 2.072 20 0 CEADMP C(COC1CCSCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000898439768 632492518 /nfs/dbraw/zinc/49/25/18/632492518.db2.gz MEIJPLAAVPNUBQ-UONOGXRCSA-N 2 1 284.469 2.115 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000924751512 632721382 /nfs/dbraw/zinc/72/13/82/632721382.db2.gz BUMZRLPFJKKMIU-GFCCVEGCSA-N 2 1 282.350 2.010 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC000924751515 632721426 /nfs/dbraw/zinc/72/14/26/632721426.db2.gz BUMZRLPFJKKMIU-LBPRGKRZSA-N 2 1 282.350 2.010 20 0 CEADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924751581 632728075 /nfs/dbraw/zinc/72/80/75/632728075.db2.gz KUDADLVIUKAHIS-RBSFLKMASA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000924751581 632728076 /nfs/dbraw/zinc/72/80/76/632728076.db2.gz KUDADLVIUKAHIS-RBSFLKMASA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H](NC(=[NH2+])NCCCC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000899265849 632763781 /nfs/dbraw/zinc/76/37/81/632763781.db2.gz KQNLPUXXIZDACI-KBPBESRZSA-N 2 1 280.460 2.411 20 0 CEADMP C[C@H](CNC(=[NH2+])N[C@H](C)C1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000899265996 632763984 /nfs/dbraw/zinc/76/39/84/632763984.db2.gz MQEHQVAOJNQEDQ-JHJVBQTASA-N 2 1 266.433 2.019 20 0 CEADMP Cc1cccc(N2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)c1C ZINC000111273197 632902185 /nfs/dbraw/zinc/90/21/85/632902185.db2.gz SHJAVRALUXGPHI-WBVHZDCISA-N 2 1 287.451 2.281 20 0 CEADMP O[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1cccc2ccccc21 ZINC000815021133 632950485 /nfs/dbraw/zinc/95/04/85/632950485.db2.gz COJNYNUVRZEHAF-DAYGRLMNSA-N 2 1 282.387 2.024 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCC=CO3)C2)C1 ZINC000816641907 633455138 /nfs/dbraw/zinc/45/51/38/633455138.db2.gz JTPNDCRBWXQGQT-GJZGRUSLSA-N 2 1 250.386 2.097 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CCC=CO3)C2)C1 ZINC000816641907 633455139 /nfs/dbraw/zinc/45/51/39/633455139.db2.gz JTPNDCRBWXQGQT-GJZGRUSLSA-N 2 1 250.386 2.097 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CCC=CO3)C2)C1 ZINC000816641907 633455143 /nfs/dbraw/zinc/45/51/43/633455143.db2.gz JTPNDCRBWXQGQT-GJZGRUSLSA-N 2 1 250.386 2.097 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc(Cl)nc1)[C@H]1CCCC[NH2+]1 ZINC000817901656 633762655 /nfs/dbraw/zinc/76/26/55/633762655.db2.gz DIQQWELEHPQFAF-DGCLKSJQSA-N 2 1 267.804 2.398 20 0 CEADMP Fc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000817917113 633775991 /nfs/dbraw/zinc/77/59/91/633775991.db2.gz KYOBWQOZRPDQON-MELADBBJSA-N 2 1 263.360 2.231 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)[C@@H]1CCC[NH2+]1 ZINC000817917688 633776764 /nfs/dbraw/zinc/77/67/64/633776764.db2.gz CLYSEZPBFRUGBZ-ILXRZTDVSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000817924060 633780696 /nfs/dbraw/zinc/78/06/96/633780696.db2.gz LVGLAYOXFPLFJB-IMJJTQAJSA-N 2 1 262.397 2.014 20 0 CEADMP CC[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817924798 633781739 /nfs/dbraw/zinc/78/17/39/633781739.db2.gz YPZCDHYFDZSHQV-IKGGRYGDSA-N 2 1 276.424 2.404 20 0 CEADMP CCc1ccc([C@H](O)C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)cc1 ZINC000817928926 633783822 /nfs/dbraw/zinc/78/38/22/633783822.db2.gz IIADACAJELMPQL-YESZJQIVSA-N 2 1 276.424 2.403 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)c1cc(C)cc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000817929306 633784296 /nfs/dbraw/zinc/78/42/96/633784296.db2.gz GBHRHWRJXQYUJP-IKGGRYGDSA-N 2 1 276.424 2.457 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@@H]2CCC[C@@H]21 ZINC000817948839 633794942 /nfs/dbraw/zinc/79/49/42/633794942.db2.gz LWECJWNWEYUZHV-BZSNNMDCSA-N 3 1 287.451 2.150 20 0 CEADMP CN1CC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@@H]2CCC[C@@H]21 ZINC000817948839 633794947 /nfs/dbraw/zinc/79/49/47/633794947.db2.gz LWECJWNWEYUZHV-BZSNNMDCSA-N 2 1 287.451 2.150 20 0 CEADMP [NH3+]C[C@H]([NH2+]C1CCC2(CC1)OCCO2)C1CCCCC1 ZINC000817959838 633801853 /nfs/dbraw/zinc/80/18/53/633801853.db2.gz VYEGJROFTXOZLO-HNNXBMFYSA-N 2 1 282.428 2.169 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CCCCCCO)CC[NH2+]CC2 ZINC000818340653 633913277 /nfs/dbraw/zinc/91/32/77/633913277.db2.gz PGPAIGVRAFXHMC-CQSZACIVSA-N 2 1 254.418 2.003 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)c1ccccc1F ZINC000818968574 634021924 /nfs/dbraw/zinc/02/19/24/634021924.db2.gz VDIFTVJFKFATSY-HNNXBMFYSA-N 2 1 277.343 2.044 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000819101944 634068142 /nfs/dbraw/zinc/06/81/42/634068142.db2.gz BMDJAZAUTGGMME-DUVNUKRYSA-N 2 1 280.387 2.240 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1ccccc1 ZINC000819100042 634068362 /nfs/dbraw/zinc/06/83/62/634068362.db2.gz CVHMNNSTZXAVIB-INIZCTEOSA-N 2 1 273.380 2.295 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)C1=CC[N@@H+](C)CC1 ZINC000819219465 634108108 /nfs/dbraw/zinc/10/81/08/634108108.db2.gz FDEWUBMGBKUMIM-MEDUHNTESA-N 2 1 296.361 2.238 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)C1=CC[N@@H+](C)CC1 ZINC000819220274 634108330 /nfs/dbraw/zinc/10/83/30/634108330.db2.gz LIFFIVQGYWSISG-BDJLRTHQSA-N 2 1 296.361 2.238 20 0 CEADMP CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000067821944 634243901 /nfs/dbraw/zinc/24/39/01/634243901.db2.gz DJLDRFHHCRDEGV-LLVKDONJSA-N 2 1 284.835 2.197 20 0 CEADMP CCCn1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)nn1 ZINC000902819993 634841029 /nfs/dbraw/zinc/84/10/29/634841029.db2.gz ZBVQJLSBQHCQLN-CYBMUJFWSA-N 2 1 290.415 2.324 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903093746 634974967 /nfs/dbraw/zinc/97/49/67/634974967.db2.gz UFBFYTPCHJCDKL-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP C(C[C@@H]1C[C@H]1C1CC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000903160986 634993974 /nfs/dbraw/zinc/99/39/74/634993974.db2.gz CDNITBNWPGCSOK-PVAVHDDUSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903160392 634994049 /nfs/dbraw/zinc/99/40/49/634994049.db2.gz LGVJIGYZWISOCZ-UJHCDMDASA-N 2 1 264.413 2.159 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@H](CO)CCc2ccccc2)[C@H](C)C1 ZINC000903290467 635053903 /nfs/dbraw/zinc/05/39/03/635053903.db2.gz WTECYHNJZWQXLW-BPQIPLTHSA-N 2 1 290.451 2.300 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000903321332 635054755 /nfs/dbraw/zinc/05/47/55/635054755.db2.gz CCYXZOODDIGWPE-CGTJXYLNSA-N 2 1 287.451 2.191 20 0 CEADMP CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903432625 635114569 /nfs/dbraw/zinc/11/45/69/635114569.db2.gz HKXBVGLAECRWTJ-FZKCQIBNSA-N 2 1 295.471 2.131 20 0 CEADMP CCCO[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903435433 635116577 /nfs/dbraw/zinc/11/65/77/635116577.db2.gz TZZGRWMXSYFQIQ-QLFBSQMISA-N 2 1 254.418 2.395 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3c(F)ccc(F)c3C2)C1 ZINC000903439036 635117736 /nfs/dbraw/zinc/11/77/36/635117736.db2.gz BRFUSVJRQZELFE-WDEREUQCSA-N 2 1 266.335 2.450 20 0 CEADMP CO[C@@]1(C)C[C@@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000903440801 635120673 /nfs/dbraw/zinc/12/06/73/635120673.db2.gz DEDUTFQMIDOUGX-COMQUAJESA-N 2 1 254.418 2.249 20 0 CEADMP FC(F)(F)[C@H]1CC[C@@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)O1 ZINC000903420970 635122236 /nfs/dbraw/zinc/12/22/36/635122236.db2.gz IIYHHBWUZRQCIZ-QWHCGFSZSA-N 2 1 292.345 2.313 20 0 CEADMP CC(C)Cc1ccccc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000903458828 635125006 /nfs/dbraw/zinc/12/50/06/635125006.db2.gz LEPJCQAUBXVMKD-KRWDZBQOSA-N 2 1 276.424 2.435 20 0 CEADMP COC[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C(C)C ZINC000903460858 635125938 /nfs/dbraw/zinc/12/59/38/635125938.db2.gz KFMOCPVGZBIQGA-NXOAAHMSSA-N 2 1 298.471 2.266 20 0 CEADMP COC[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C(C)C ZINC000903460857 635126078 /nfs/dbraw/zinc/12/60/78/635126078.db2.gz KFMOCPVGZBIQGA-MWDXBVQZSA-N 2 1 298.471 2.266 20 0 CEADMP CC(C)c1ncc2c(n1)CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903464343 635128650 /nfs/dbraw/zinc/12/86/50/635128650.db2.gz JOVWJXHELCNDLW-OCCSQVGLSA-N 2 1 274.412 2.086 20 0 CEADMP COC[C@H](C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C(C)C ZINC000903453592 635137238 /nfs/dbraw/zinc/13/72/38/635137238.db2.gz CYSXKBAEBSNYNA-JYJNAYRXSA-N 2 1 268.445 2.369 20 0 CEADMP c1ccc([C@@H]2C[C@H]3C[N@@H+](C[C@H]4CCC[NH2+]4)C[C@H]32)cc1 ZINC000903474951 635143733 /nfs/dbraw/zinc/14/37/33/635143733.db2.gz WDCIFCADKBYKRF-VVLHAWIVSA-N 2 1 256.393 2.474 20 0 CEADMP c1ccc([C@@H]2C[C@H]3C[N@H+](C[C@H]4CCC[NH2+]4)C[C@H]32)cc1 ZINC000903474951 635143737 /nfs/dbraw/zinc/14/37/37/635143737.db2.gz WDCIFCADKBYKRF-VVLHAWIVSA-N 2 1 256.393 2.474 20 0 CEADMP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CC2(CCC2)CO1 ZINC000903481522 635148861 /nfs/dbraw/zinc/14/88/61/635148861.db2.gz FAXYKTMEZVYBEE-UONOGXRCSA-N 2 1 264.413 2.210 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000903481425 635148866 /nfs/dbraw/zinc/14/88/66/635148866.db2.gz BMOSCAKENUEJSR-PVAVHDDUSA-N 2 1 280.456 2.371 20 0 CEADMP Cc1nc([C@H]2CC[N@@H+](CCCCCCC[NH3+])C2)no1 ZINC000903491036 635156452 /nfs/dbraw/zinc/15/64/52/635156452.db2.gz RYHGWFLCRPOXLF-ZDUSSCGKSA-N 2 1 266.389 2.077 20 0 CEADMP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)c1 ZINC000903494302 635157520 /nfs/dbraw/zinc/15/75/20/635157520.db2.gz BKEXTBGBPSAFKW-HUUCEWRRSA-N 2 1 289.423 2.159 20 0 CEADMP c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1 ZINC000903513021 635158955 /nfs/dbraw/zinc/15/89/55/635158955.db2.gz NTEXYJALDOFNEW-HDICACEKSA-N 2 1 285.435 2.087 20 0 CEADMP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000903513021 635158961 /nfs/dbraw/zinc/15/89/61/635158961.db2.gz NTEXYJALDOFNEW-HDICACEKSA-N 2 1 285.435 2.087 20 0 CEADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000903513021 635158963 /nfs/dbraw/zinc/15/89/63/635158963.db2.gz NTEXYJALDOFNEW-HDICACEKSA-N 2 1 285.435 2.087 20 0 CEADMP [NH3+]CCC[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000903565970 635164203 /nfs/dbraw/zinc/16/42/03/635164203.db2.gz WEJSSULVCJMIEQ-NSHDSACASA-N 2 1 265.426 2.160 20 0 CEADMP C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000903566605 635164294 /nfs/dbraw/zinc/16/42/94/635164294.db2.gz WFQPGUCGSPFQPW-SJLPKXTDSA-N 2 1 287.451 2.160 20 0 CEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000903566067 635164432 /nfs/dbraw/zinc/16/44/32/635164432.db2.gz YXMVABZLTXQIBA-QWHCGFSZSA-N 2 1 291.464 2.421 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717380 635232663 /nfs/dbraw/zinc/23/26/63/635232663.db2.gz PMZJVBJBVBQMLP-INIZCTEOSA-N 2 1 274.408 2.277 20 0 CEADMP c1ccc(C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903722625 635236056 /nfs/dbraw/zinc/23/60/56/635236056.db2.gz BUOLWZIAPUHEFH-ROUUACIJSA-N 2 1 286.419 2.420 20 0 CEADMP CC(C)C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C(C)C ZINC000903723131 635236507 /nfs/dbraw/zinc/23/65/07/635236507.db2.gz UOQDUHUYMRAIIL-LSDHHAIUSA-N 2 1 254.418 2.121 20 0 CEADMP COc1cc(C[N@@H+](C)C[C@@H]2CCCC[NH2+]C2)ccc1O ZINC000903723889 635237065 /nfs/dbraw/zinc/23/70/65/635237065.db2.gz JFTZBTRENVWICC-CQSZACIVSA-N 2 1 278.396 2.222 20 0 CEADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000903727861 635239640 /nfs/dbraw/zinc/23/96/40/635239640.db2.gz YKPGSXZCTYICAT-OWCLPIDISA-N 2 1 278.440 2.410 20 0 CEADMP C[N@@H+](C[C@@H]1CCCC[NH2+]C1)[C@H](CCO)c1ccccc1 ZINC000903729744 635242377 /nfs/dbraw/zinc/24/23/77/635242377.db2.gz RNSUPSYHQDMLHW-NVXWUHKLSA-N 2 1 276.424 2.432 20 0 CEADMP CCC[C@@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903732872 635243392 /nfs/dbraw/zinc/24/33/92/635243392.db2.gz HGJXMQHVHFZBKP-OAGGEKHMSA-N 2 1 266.429 2.267 20 0 CEADMP CCn1nc(C)c(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)n1 ZINC000823654161 635244114 /nfs/dbraw/zinc/24/41/14/635244114.db2.gz QRAGKYWQMOZWOE-AWEZNQCLSA-N 2 1 293.459 2.208 20 0 CEADMP [NH3+]CCC[N@H+](CC1CCCC1)C[C@@H]1CCCC[NH2+]C1 ZINC000903750385 635248120 /nfs/dbraw/zinc/24/81/20/635248120.db2.gz ZZCGKYMDIIRNBI-MRXNPFEDSA-N 3 1 267.461 2.217 20 0 CEADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@@H]1CCCC[NH2+]C1 ZINC000903750385 635248124 /nfs/dbraw/zinc/24/81/24/635248124.db2.gz ZZCGKYMDIIRNBI-MRXNPFEDSA-N 3 1 267.461 2.217 20 0 CEADMP C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)OC1CCSCC1 ZINC000903753025 635249031 /nfs/dbraw/zinc/24/90/31/635249031.db2.gz YKGOIQJTTSKZEP-GOEBONIOSA-N 2 1 298.496 2.363 20 0 CEADMP C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OC1CCSCC1 ZINC000903753024 635249363 /nfs/dbraw/zinc/24/93/63/635249363.db2.gz YKGOIQJTTSKZEP-GDBMZVCRSA-N 2 1 298.496 2.363 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903753301 635249462 /nfs/dbraw/zinc/24/94/62/635249462.db2.gz SWCFABBKSILZSL-FXUDXRNXSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[N@H+](Cc1ccccn1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903737863 635251778 /nfs/dbraw/zinc/25/17/78/635251778.db2.gz WOSKWCJSSJVHOB-SJORKVTESA-N 2 1 289.423 2.061 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903734749 635251962 /nfs/dbraw/zinc/25/19/62/635251962.db2.gz VZMWNJWPAGPXFY-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903740930 635254238 /nfs/dbraw/zinc/25/42/38/635254238.db2.gz MNRGYNLGCMXOJX-HOTGVXAUSA-N 2 1 267.461 2.040 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@H]2CCCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000903760778 635255890 /nfs/dbraw/zinc/25/58/90/635255890.db2.gz YKXIXJBLGOCVIP-SZMVWBNQSA-N 2 1 287.451 2.411 20 0 CEADMP CN1CC[C@H]([NH2+]C[C@H]2CCCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000903760778 635255895 /nfs/dbraw/zinc/25/58/95/635255895.db2.gz YKXIXJBLGOCVIP-SZMVWBNQSA-N 2 1 287.451 2.411 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000903762837 635257105 /nfs/dbraw/zinc/25/71/05/635257105.db2.gz FBVSNQCJFWOWKZ-JYJNAYRXSA-N 2 1 266.429 2.267 20 0 CEADMP c1ccc(C23CC(C2)C[N@@H+]3C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903767075 635258384 /nfs/dbraw/zinc/25/83/84/635258384.db2.gz TURSCVKMQTUHOI-BEVRRMAYSA-N 2 1 298.430 2.376 20 0 CEADMP CC[C@H](C)[N@@H+](CC)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903768884 635259647 /nfs/dbraw/zinc/25/96/47/635259647.db2.gz UMPFPPHKRLLZRY-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H](C)C1 ZINC000903768163 635259696 /nfs/dbraw/zinc/25/96/96/635259696.db2.gz LEMDFZRYEATAJL-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903774902 635264950 /nfs/dbraw/zinc/26/49/50/635264950.db2.gz BHQFWSDOIAYZSW-MLNLMIINSA-N 2 1 278.440 2.433 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903778374 635265888 /nfs/dbraw/zinc/26/58/88/635265888.db2.gz MCCRWEOCZFHBOU-HOCLYGCPSA-N 3 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903778374 635265890 /nfs/dbraw/zinc/26/58/90/635265890.db2.gz MCCRWEOCZFHBOU-HOCLYGCPSA-N 3 1 267.461 2.073 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000903778243 635266071 /nfs/dbraw/zinc/26/60/71/635266071.db2.gz LNDLSBKLUQBPME-MJBXVCDLSA-N 2 1 254.443 2.061 20 0 CEADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782528 635267284 /nfs/dbraw/zinc/26/72/84/635267284.db2.gz OIQCCOVRLPAVRD-IPYPFGDCSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)(C)OC[C@H]1CCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903785887 635269583 /nfs/dbraw/zinc/26/95/83/635269583.db2.gz AOTSSGULSUIHQK-HLLBOEOZSA-N 2 1 296.455 2.035 20 0 CEADMP NC[C@@]12CC[C@H]1CCC[N@@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000903798729 635275955 /nfs/dbraw/zinc/27/59/55/635275955.db2.gz AIIDXGHEOWUXTF-AEFFLSMTSA-N 3 1 285.435 2.036 20 0 CEADMP NC[C@@]12CC[C@H]1CCC[N@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000903798729 635275961 /nfs/dbraw/zinc/27/59/61/635275961.db2.gz AIIDXGHEOWUXTF-AEFFLSMTSA-N 3 1 285.435 2.036 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000903798729 635275965 /nfs/dbraw/zinc/27/59/65/635275965.db2.gz AIIDXGHEOWUXTF-AEFFLSMTSA-N 3 1 285.435 2.036 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000903798729 635275971 /nfs/dbraw/zinc/27/59/71/635275971.db2.gz AIIDXGHEOWUXTF-AEFFLSMTSA-N 3 1 285.435 2.036 20 0 CEADMP C[N@@H+](Cc1cccc2ncccc12)C1(C[NH3+])CCOCC1 ZINC000903810089 635283317 /nfs/dbraw/zinc/28/33/17/635283317.db2.gz WGBHCIMKGZFXAR-UHFFFAOYSA-N 2 1 285.391 2.175 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)CCC1 ZINC000903812134 635286844 /nfs/dbraw/zinc/28/68/44/635286844.db2.gz QSSNJHDOXGVHGC-ILXRZTDVSA-N 3 1 265.445 2.097 20 0 CEADMP NCC1([C@@H]2CCCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)CCC1 ZINC000903812134 635286850 /nfs/dbraw/zinc/28/68/50/635286850.db2.gz QSSNJHDOXGVHGC-ILXRZTDVSA-N 2 1 265.445 2.097 20 0 CEADMP NCC1([C@@H]2CCCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)CCC1 ZINC000903812134 635286858 /nfs/dbraw/zinc/28/68/58/635286858.db2.gz QSSNJHDOXGVHGC-ILXRZTDVSA-N 2 1 265.445 2.097 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000903823930 635292399 /nfs/dbraw/zinc/29/23/99/635292399.db2.gz LNAXDVICIYWZQO-JKSUJKDBSA-N 2 1 284.444 2.023 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCSC[C@@H]2C2CC2)C1 ZINC000903825884 635293337 /nfs/dbraw/zinc/29/33/37/635293337.db2.gz DBGFXJSUSSUOGO-IACUBPJLSA-N 2 1 254.443 2.331 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1c1ccccc1 ZINC000903831906 635296456 /nfs/dbraw/zinc/29/64/56/635296456.db2.gz NMTMVZLIPFVLJP-OAGGEKHMSA-N 2 1 273.424 2.325 20 0 CEADMP c1csc(C[C@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)n1 ZINC000903831588 635296899 /nfs/dbraw/zinc/29/68/99/635296899.db2.gz KGYURBLAZAZTHP-KGLIPLIRSA-N 2 1 279.453 2.397 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1cccc(F)c1)C2 ZINC000903847043 635303193 /nfs/dbraw/zinc/30/31/93/635303193.db2.gz SDQLMVLRHPQFIF-YUTCNCBUSA-N 2 1 264.344 2.016 20 0 CEADMP CC1(C)C[C@H](C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])C(C)(C)O1 ZINC000903857173 635307370 /nfs/dbraw/zinc/30/73/70/635307370.db2.gz CQSCFHYIJSCTRU-IOASZLSFSA-N 2 1 266.429 2.393 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])C(C)(C)O1 ZINC000903857173 635307377 /nfs/dbraw/zinc/30/73/77/635307377.db2.gz CQSCFHYIJSCTRU-IOASZLSFSA-N 2 1 266.429 2.393 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCCc1ccsc1 ZINC000903859214 635310623 /nfs/dbraw/zinc/31/06/23/635310623.db2.gz LOMVAFOFJPJOSW-ZIAGYGMSSA-N 2 1 250.411 2.494 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCCc1ccsc1 ZINC000903859214 635310630 /nfs/dbraw/zinc/31/06/30/635310630.db2.gz LOMVAFOFJPJOSW-ZIAGYGMSSA-N 2 1 250.411 2.494 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000903889094 635316266 /nfs/dbraw/zinc/31/62/66/635316266.db2.gz ONUAVAJXTWPRTA-ALOPSCKCSA-N 2 1 291.483 2.467 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCCN(C2CCCC2)CC1 ZINC000903889094 635316268 /nfs/dbraw/zinc/31/62/68/635316268.db2.gz ONUAVAJXTWPRTA-ALOPSCKCSA-N 2 1 291.483 2.467 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCCN(C2CCCC2)CC1 ZINC000903889094 635316270 /nfs/dbraw/zinc/31/62/70/635316270.db2.gz ONUAVAJXTWPRTA-ALOPSCKCSA-N 2 1 291.483 2.467 20 0 CEADMP CC(C)C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C(C)C ZINC000903885991 635327711 /nfs/dbraw/zinc/32/77/11/635327711.db2.gz PSGLAWHMMYVENC-CQSZACIVSA-N 2 1 279.432 2.069 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000903915528 635340037 /nfs/dbraw/zinc/34/00/37/635340037.db2.gz OSBMGKJXXWNGCA-ZIAGYGMSSA-N 2 1 291.443 2.071 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000903909402 635343265 /nfs/dbraw/zinc/34/32/65/635343265.db2.gz UMQJKHBDGFKAAG-UONOGXRCSA-N 2 1 291.443 2.071 20 0 CEADMP Cc1ccc(C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000903908434 635343661 /nfs/dbraw/zinc/34/36/61/635343661.db2.gz IWIJWFMEALECME-GOOCMWNKSA-N 2 1 259.397 2.352 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H](C2CC2)O1 ZINC000903910788 635343932 /nfs/dbraw/zinc/34/39/32/635343932.db2.gz QZEJFIONVRHSKY-ACJLOTCBSA-N 2 1 286.419 2.332 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903913254 635346968 /nfs/dbraw/zinc/34/69/68/635346968.db2.gz NVIDZLRLVFRSON-VIYLOZMYSA-N 2 1 288.439 2.130 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000903913904 635347579 /nfs/dbraw/zinc/34/75/79/635347579.db2.gz FLLPAWZEBFVZJH-CVGRLMLNSA-N 2 1 278.440 2.408 20 0 CEADMP [NH3+][C@H](C[NH2+]C[C@H](O)c1ccc2ccccc2c1)CC(F)F ZINC000903919506 635349159 /nfs/dbraw/zinc/34/91/59/635349159.db2.gz DDZGNLNAGIKROE-GJZGRUSLSA-N 2 1 294.345 2.445 20 0 CEADMP Cc1ccc(CC[NH2+]C[C@@H]([NH3+])CC(F)F)c(C)c1 ZINC000903922494 635350299 /nfs/dbraw/zinc/35/02/99/635350299.db2.gz XZAHKOZFIFYAQC-ZDUSSCGKSA-N 2 1 256.340 2.418 20 0 CEADMP c1c(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)sc2c1C[NH2+]CC2 ZINC000903954786 635387601 /nfs/dbraw/zinc/38/76/01/635387601.db2.gz VQOVBXKUWDBHCX-IUODEOHRSA-N 2 1 292.448 2.395 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CC[NH2+]C1 ZINC000903979121 635396072 /nfs/dbraw/zinc/39/60/72/635396072.db2.gz WDSMEBWRCRRGIF-GHMZBOCLSA-N 2 1 280.309 2.352 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903963574 635397478 /nfs/dbraw/zinc/39/74/78/635397478.db2.gz BDDVDCDWSYDBJM-XJKCOSOUSA-N 2 1 262.397 2.214 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1OCC1CC1 ZINC000903964681 635399270 /nfs/dbraw/zinc/39/92/70/635399270.db2.gz ONGQDLVJKABQFI-CJNGLKHVSA-N 2 1 274.408 2.421 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cnn2c1CCC2 ZINC000824863993 635514417 /nfs/dbraw/zinc/51/44/17/635514417.db2.gz YPFCSFCGNCRPII-HNNXBMFYSA-N 2 1 276.428 2.136 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC)c(C)c2)C1 ZINC000904299726 635552606 /nfs/dbraw/zinc/55/26/06/635552606.db2.gz MSLXNVASSDPMMH-OAHLLOKOSA-N 2 1 290.407 2.213 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)c(C)c2)C1 ZINC000904299726 635552613 /nfs/dbraw/zinc/55/26/13/635552613.db2.gz MSLXNVASSDPMMH-OAHLLOKOSA-N 2 1 290.407 2.213 20 0 CEADMP C[N@@H+](CCOc1ccccc1Cl)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904305786 635557178 /nfs/dbraw/zinc/55/71/78/635557178.db2.gz TVXJYLLSKHHEQR-TXEJJXNPSA-N 2 1 268.788 2.388 20 0 CEADMP CCOC[C@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904326461 635572098 /nfs/dbraw/zinc/57/20/98/635572098.db2.gz KEIOIJLPCFKUET-KBPBESRZSA-N 2 1 256.434 2.498 20 0 CEADMP CCOC[C@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904326461 635572099 /nfs/dbraw/zinc/57/20/99/635572099.db2.gz KEIOIJLPCFKUET-KBPBESRZSA-N 2 1 256.434 2.498 20 0 CEADMP CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328361 635572989 /nfs/dbraw/zinc/57/29/89/635572989.db2.gz OCMQJJKQCRGYBG-RFQIPJPRSA-N 2 1 254.418 2.249 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904326761 635573361 /nfs/dbraw/zinc/57/33/61/635573361.db2.gz RXRWEDZPBCTUOZ-CABCVRRESA-N 2 1 269.477 2.414 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCCO)Cc2cccc(Cl)c2)C1 ZINC000904328026 635573754 /nfs/dbraw/zinc/57/37/54/635573754.db2.gz LSNYIIONARYZBF-OTVXOJSOSA-N 2 1 282.815 2.262 20 0 CEADMP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904340313 635578741 /nfs/dbraw/zinc/57/87/41/635578741.db2.gz GXWJIZYNUYQRCX-OWCLPIDISA-N 2 1 273.424 2.325 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CN1Cc1ccccc1 ZINC000904341834 635580122 /nfs/dbraw/zinc/58/01/22/635580122.db2.gz WYVJGLJVBFEFEQ-ATLSCFEFSA-N 2 1 287.451 2.319 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C[C@H]1C[NH3+] ZINC000904371553 635594291 /nfs/dbraw/zinc/59/42/91/635594291.db2.gz QIFBIWVZJABVNZ-XJKSGUPXSA-N 2 1 274.408 2.428 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1nccn1C1CC1)CC[NH2+]CC2 ZINC000904374350 635595632 /nfs/dbraw/zinc/59/56/32/635595632.db2.gz QLOOHHDZGFGVPY-CYBMUJFWSA-N 2 1 274.412 2.182 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406127 635613635 /nfs/dbraw/zinc/61/36/35/635613635.db2.gz PXCAQZVQKXICQR-KXQLTZBTSA-N 2 1 260.381 2.379 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406128 635613924 /nfs/dbraw/zinc/61/39/24/635613924.db2.gz PXCAQZVQKXICQR-SDQPKGBYSA-N 2 1 260.381 2.379 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(OC)c1 ZINC000904410067 635616336 /nfs/dbraw/zinc/61/63/36/635616336.db2.gz AARXLXRVXOWCRC-OLZOCXBDSA-N 2 1 278.396 2.121 20 0 CEADMP Cc1cccn2c(C[N@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cnc12 ZINC000904411609 635619226 /nfs/dbraw/zinc/61/92/26/635619226.db2.gz OCDZEYNYJCQFPD-ZIAGYGMSSA-N 2 1 272.396 2.059 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1F ZINC000904415296 635619842 /nfs/dbraw/zinc/61/98/42/635619842.db2.gz BVOCICBEHHRPAG-LALPHHSUSA-N 2 1 280.387 2.292 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1F ZINC000904415296 635619846 /nfs/dbraw/zinc/61/98/46/635619846.db2.gz BVOCICBEHHRPAG-LALPHHSUSA-N 2 1 280.387 2.292 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000904443375 635638740 /nfs/dbraw/zinc/63/87/40/635638740.db2.gz HMLVENWMJJZMAL-CQSZACIVSA-N 2 1 255.450 2.057 20 0 CEADMP [NH2+]=C(NC[C@H]1CCCS1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000905045253 635786842 /nfs/dbraw/zinc/78/68/42/635786842.db2.gz CWMAIXMPKWEKNW-UONOGXRCSA-N 2 1 296.484 2.013 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc(C)c2)C1 ZINC000905065593 635809474 /nfs/dbraw/zinc/80/94/74/635809474.db2.gz IQQOUBOWYUGEKX-DOTOQJQBSA-N 2 1 276.424 2.350 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@](O)(CC)C(F)(F)F)C1 ZINC000905067430 635810408 /nfs/dbraw/zinc/81/04/08/635810408.db2.gz XUUINJSAFZRBLM-NWDGAFQWSA-N 2 1 282.350 2.011 20 0 CEADMP [NH3+]C1(c2noc([C@H]3CCCCC34CC[NH2+]CC4)n2)CC1 ZINC000905330269 636235395 /nfs/dbraw/zinc/23/53/95/636235395.db2.gz SDFRSLSYGTZORQ-LLVKDONJSA-N 2 1 276.384 2.045 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1C=CCC1 ZINC000905417423 636266163 /nfs/dbraw/zinc/26/61/63/636266163.db2.gz LWLZYDYYQULWDE-NVXWUHKLSA-N 2 1 274.408 2.035 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1C=CCC1 ZINC000905417423 636266166 /nfs/dbraw/zinc/26/61/66/636266166.db2.gz LWLZYDYYQULWDE-NVXWUHKLSA-N 2 1 274.408 2.035 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCC=CCCC1)C1CC1 ZINC000905678930 636391232 /nfs/dbraw/zinc/39/12/32/636391232.db2.gz NCMXUJRNXYNIDN-GOEBONIOSA-N 2 1 266.429 2.168 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCC=CCCC1)C1CC1 ZINC000905678930 636391235 /nfs/dbraw/zinc/39/12/35/636391235.db2.gz NCMXUJRNXYNIDN-GOEBONIOSA-N 2 1 266.429 2.168 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)CCO1 ZINC000827856420 636443392 /nfs/dbraw/zinc/44/33/92/636443392.db2.gz ORKNMVXIHJRBOW-GVDBMIGSSA-N 2 1 298.471 2.234 20 0 CEADMP CC(C)[NH2+]Cc1cn(C[C@H]2CCCC[N@H+]2C(C)C)nn1 ZINC000905813674 636483407 /nfs/dbraw/zinc/48/34/07/636483407.db2.gz UTGZKDCYGSXYLT-OAHLLOKOSA-N 2 1 279.432 2.039 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000828383789 636584245 /nfs/dbraw/zinc/58/42/45/636584245.db2.gz PGQFKHNJXLEGCV-ISXOHVOVSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000906105098 636603837 /nfs/dbraw/zinc/60/38/37/636603837.db2.gz WLNZOVYGMMXGGI-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c(OC(F)F)cc1C ZINC000906508695 636760080 /nfs/dbraw/zinc/76/00/80/636760080.db2.gz VDDFEIRYVWAAET-HAQNSBGRSA-N 2 1 270.323 2.484 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000906508745 636760717 /nfs/dbraw/zinc/76/07/17/636760717.db2.gz XNNAEUCKERAHAY-XYPYZODXSA-N 2 1 282.771 2.081 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@]1(O)CCc2ccccc21 ZINC000829367126 636836008 /nfs/dbraw/zinc/83/60/08/636836008.db2.gz SHCPKXCDHNJXSC-FUHWJXTLSA-N 2 1 288.435 2.237 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@]1(O)CCc2ccccc21 ZINC000829367126 636836013 /nfs/dbraw/zinc/83/60/13/636836013.db2.gz SHCPKXCDHNJXSC-FUHWJXTLSA-N 2 1 288.435 2.237 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@]1(O)CCc2ccccc21 ZINC000829367126 636836016 /nfs/dbraw/zinc/83/60/16/636836016.db2.gz SHCPKXCDHNJXSC-FUHWJXTLSA-N 2 1 288.435 2.237 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000834475239 637841462 /nfs/dbraw/zinc/84/14/62/637841462.db2.gz OFILHUSESNEVAY-XHSDSOJGSA-N 2 1 295.471 2.084 20 0 CEADMP CC[N@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000910287087 637979207 /nfs/dbraw/zinc/97/92/07/637979207.db2.gz KGOSVKGPUPSPPH-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876725853 650411300 /nfs/dbraw/zinc/41/13/00/650411300.db2.gz ZOEJURRFPWTTDS-ILXRZTDVSA-N 2 1 295.471 2.131 20 0 CEADMP CC[N@@H+]1[C@H](C)CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC000912023608 638525526 /nfs/dbraw/zinc/52/55/26/638525526.db2.gz FNPAQCBPXUKXQI-IYBDPMFKSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)CCc1cnc[nH]1 ZINC000912648522 638753691 /nfs/dbraw/zinc/75/36/91/638753691.db2.gz BRNILJNGGSDVEI-HIFRSBDPSA-N 2 1 292.427 2.064 20 0 CEADMP ClC1(Cl)C[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000876909286 650482767 /nfs/dbraw/zinc/48/27/67/650482767.db2.gz WQKNFKFVYCSCJT-VIFPVBQESA-N 2 1 263.212 2.397 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000877026545 639464999 /nfs/dbraw/zinc/46/49/99/639464999.db2.gz BXPWGKJEPYRHBX-ZJUUUORDSA-N 2 1 251.201 2.112 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC[C@@H](C)C1 ZINC000879126969 651245999 /nfs/dbraw/zinc/24/59/99/651245999.db2.gz PIXGJOPDFPGZFC-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cnc1Cl ZINC000841065235 639641222 /nfs/dbraw/zinc/64/12/22/639641222.db2.gz ZHNHLBAGQASRKC-PWSUYJOCSA-N 2 1 253.777 2.131 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c(F)c1 ZINC000228645238 639649434 /nfs/dbraw/zinc/64/94/34/639649434.db2.gz BCZOSQLTCQANKV-NSHDSACASA-N 2 1 252.333 2.005 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229436436 639700495 /nfs/dbraw/zinc/70/04/95/639700495.db2.gz RIINWMKEVQWOOK-KBPBESRZSA-N 2 1 252.402 2.149 20 0 CEADMP CC[N@H+](CC[NH2+][C@H](C)Cc1ccnc(OC)c1)C(C)C ZINC000876996377 650524093 /nfs/dbraw/zinc/52/40/93/650524093.db2.gz RYJMOEBPDWQZAX-CQSZACIVSA-N 2 1 279.428 2.341 20 0 CEADMP CC[N@@H+](CC[NH2+][C@H](C)Cc1ccnc(OC)c1)C(C)C ZINC000876996377 650524094 /nfs/dbraw/zinc/52/40/94/650524094.db2.gz RYJMOEBPDWQZAX-CQSZACIVSA-N 2 1 279.428 2.341 20 0 CEADMP CO[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000877022401 650534895 /nfs/dbraw/zinc/53/48/95/650534895.db2.gz MUQBYMWFXWSZDO-YESZJQIVSA-N 2 1 296.455 2.035 20 0 CEADMP CO[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000877022401 650534896 /nfs/dbraw/zinc/53/48/96/650534896.db2.gz MUQBYMWFXWSZDO-YESZJQIVSA-N 2 1 296.455 2.035 20 0 CEADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000842472062 640071125 /nfs/dbraw/zinc/07/11/25/640071125.db2.gz ORTXBTBOYNNQBN-HNNXBMFYSA-N 2 1 283.460 2.228 20 0 CEADMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cnn(-c2ccccc2)n1 ZINC000842471498 640071319 /nfs/dbraw/zinc/07/13/19/640071319.db2.gz FQTUMNJJSCUPOG-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cnn(-c2ccccc2)n1 ZINC000842471498 640071324 /nfs/dbraw/zinc/07/13/24/640071324.db2.gz FQTUMNJJSCUPOG-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@H](O)c1ccc(C)cc1 ZINC000842472521 640072454 /nfs/dbraw/zinc/07/24/54/640072454.db2.gz CTTVWCHRLXVLIJ-RDJZCZTQSA-N 2 1 276.424 2.350 20 0 CEADMP CCCCOC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000842472659 640072878 /nfs/dbraw/zinc/07/28/78/640072878.db2.gz INDUHVZAIZFGOX-HIFRSBDPSA-N 2 1 282.428 2.182 20 0 CEADMP CCCCCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000842474026 640074049 /nfs/dbraw/zinc/07/40/49/640074049.db2.gz AUCPKLCCMCQVPW-JKSUJKDBSA-N 2 1 295.471 2.147 20 0 CEADMP CCCCCCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000842474026 640074054 /nfs/dbraw/zinc/07/40/54/640074054.db2.gz AUCPKLCCMCQVPW-JKSUJKDBSA-N 2 1 295.471 2.147 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)NC1CCCCCCC1 ZINC000842476963 640076573 /nfs/dbraw/zinc/07/65/73/640076573.db2.gz YIKQVRKBRWWHQN-HNNXBMFYSA-N 2 1 295.471 2.193 20 0 CEADMP C([NH2+]C[C@@H]1CCCOC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000843098055 640279816 /nfs/dbraw/zinc/27/98/16/640279816.db2.gz URSULRMXDTUKJC-CVEARBPZSA-N 2 1 266.429 2.125 20 0 CEADMP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125870 640291701 /nfs/dbraw/zinc/29/17/01/640291701.db2.gz KBGMFMMWUVABMR-OLZOCXBDSA-N 2 1 296.846 2.203 20 0 CEADMP C([C@@H]1CCCOC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126019 640293029 /nfs/dbraw/zinc/29/30/29/640293029.db2.gz DVLUJUFEKRKAMM-ARFHVFGLSA-N 2 1 266.429 2.125 20 0 CEADMP [NH3+]CCCCCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000843343206 640395269 /nfs/dbraw/zinc/39/52/69/640395269.db2.gz WYHQFTCPXSHMEN-CQSZACIVSA-N 2 1 273.384 2.003 20 0 CEADMP Cc1cc2oc(=O)cc(C[N@H+](C)CCC[NH3+])c2cc1C ZINC000843350889 640399334 /nfs/dbraw/zinc/39/93/34/640399334.db2.gz AQSCAPPDSZVZNN-UHFFFAOYSA-N 2 1 274.364 2.190 20 0 CEADMP Cc1cc2oc(=O)cc(C[N@@H+](C)CCC[NH3+])c2cc1C ZINC000843350889 640399337 /nfs/dbraw/zinc/39/93/37/640399337.db2.gz AQSCAPPDSZVZNN-UHFFFAOYSA-N 2 1 274.364 2.190 20 0 CEADMP COC(=O)c1ccccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354646 640400602 /nfs/dbraw/zinc/40/06/02/640400602.db2.gz GXDIXKYSVZZMBC-UHFFFAOYSA-N 2 1 276.380 2.175 20 0 CEADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354990 640401303 /nfs/dbraw/zinc/40/13/03/640401303.db2.gz IBEZIUCTLRGVGR-WLYUNCDWSA-N 2 1 283.460 2.081 20 0 CEADMP C[C@@](C[NH3+])([NH2+]CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000843355812 640401509 /nfs/dbraw/zinc/40/15/09/640401509.db2.gz JVHFMBJDXJJPFN-ZJUUUORDSA-N 2 1 251.201 2.287 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000844196337 640628841 /nfs/dbraw/zinc/62/88/41/640628841.db2.gz ICRQMDZPIBBZTM-OAHLLOKOSA-N 2 1 283.460 2.228 20 0 CEADMP Cn1c2ccccc2nc1CC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000844220223 640634937 /nfs/dbraw/zinc/63/49/37/640634937.db2.gz BIHBMRSEKNZWAG-UHFFFAOYSA-N 2 1 286.423 2.318 20 0 CEADMP CC[C@](O)(C[N@H+](C)CCCn1cc[nH+]c1C)C(F)(F)F ZINC000930059230 641014392 /nfs/dbraw/zinc/01/43/92/641014392.db2.gz AYKSOEWDALKZAN-LBPRGKRZSA-N 2 1 293.333 2.217 20 0 CEADMP CC[C@](O)(C[N@@H+](C)CCCn1cc[nH+]c1C)C(F)(F)F ZINC000930059230 641014395 /nfs/dbraw/zinc/01/43/95/641014395.db2.gz AYKSOEWDALKZAN-LBPRGKRZSA-N 2 1 293.333 2.217 20 0 CEADMP CC[C@H](C)[C@H](C(=O)OC)[N@H+](C)CCCn1cc[nH+]c1C ZINC000930060427 641017444 /nfs/dbraw/zinc/01/74/44/641017444.db2.gz MGGILKULVGZVCJ-GXTWGEPZSA-N 2 1 281.400 2.101 20 0 CEADMP CC[C@H](C)[C@H](C(=O)OC)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000930060427 641017449 /nfs/dbraw/zinc/01/74/49/641017449.db2.gz MGGILKULVGZVCJ-GXTWGEPZSA-N 2 1 281.400 2.101 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@](C)(O)c1ccccc1 ZINC000846040427 641160385 /nfs/dbraw/zinc/16/03/85/641160385.db2.gz XEULJIRDWOOZQK-RANZSIQMSA-N 2 1 288.435 2.499 20 0 CEADMP COc1cccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)c1OC ZINC000925481615 641185320 /nfs/dbraw/zinc/18/53/20/641185320.db2.gz RCUUZRSTSKTEII-OAHLLOKOSA-N 2 1 290.407 2.121 20 0 CEADMP [NH3+]CCCCCC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000846218336 641227367 /nfs/dbraw/zinc/22/73/67/641227367.db2.gz RAIPEVPXRBXVDB-QGZVFWFLSA-N 2 1 276.424 2.487 20 0 CEADMP CCCCCCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000846226820 641235054 /nfs/dbraw/zinc/23/50/54/641235054.db2.gz URWDREAIKFSYFM-CABCVRRESA-N 2 1 283.460 2.132 20 0 CEADMP CCCCCCNC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000846226820 641235060 /nfs/dbraw/zinc/23/50/60/641235060.db2.gz URWDREAIKFSYFM-CABCVRRESA-N 2 1 283.460 2.132 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C/C=C/Cl)C1 ZINC000846229318 641236257 /nfs/dbraw/zinc/23/62/57/641236257.db2.gz SRKKRMMUQJHHQL-SABXLNKYSA-N 2 1 258.793 2.100 20 0 CEADMP C=CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000068041907 641371187 /nfs/dbraw/zinc/37/11/87/641371187.db2.gz XDMFAMCRAIPWTC-OAHLLOKOSA-N 2 1 278.444 2.121 20 0 CEADMP Cc1nc(C)c(C[NH2+][C@H]2CC[NH2+]CC2(C)C)s1 ZINC000261542139 641377893 /nfs/dbraw/zinc/37/78/93/641377893.db2.gz BVWNIVZHNPVUHV-LBPRGKRZSA-N 2 1 253.415 2.238 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc3nonc3c2)CC1 ZINC000846874024 641463657 /nfs/dbraw/zinc/46/36/57/641463657.db2.gz GLQPNYDOPJTBKP-ZDUSSCGKSA-N 2 1 274.368 2.139 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3nonc3c2)CC1 ZINC000846874024 641463661 /nfs/dbraw/zinc/46/36/61/641463661.db2.gz GLQPNYDOPJTBKP-ZDUSSCGKSA-N 2 1 274.368 2.139 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc2ccccc2c1 ZINC000261558714 641522206 /nfs/dbraw/zinc/52/22/06/641522206.db2.gz HYNVQGRPMLOWHQ-STQMWFEESA-N 2 1 255.365 2.404 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000070170652 641640232 /nfs/dbraw/zinc/64/02/32/641640232.db2.gz JPMLATWPVSNOSJ-CYBMUJFWSA-N 2 1 293.386 2.215 20 0 CEADMP c1nn(C2CCC2)cc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000921528395 642207933 /nfs/dbraw/zinc/20/79/33/642207933.db2.gz UKSWEOUVRSOGQD-CYBMUJFWSA-N 2 1 274.412 2.182 20 0 CEADMP c1nn(C2CCC2)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000921528395 642207937 /nfs/dbraw/zinc/20/79/37/642207937.db2.gz UKSWEOUVRSOGQD-CYBMUJFWSA-N 2 1 274.412 2.182 20 0 CEADMP c1nn(C2CCC2)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000921528395 642207940 /nfs/dbraw/zinc/20/79/40/642207940.db2.gz UKSWEOUVRSOGQD-CYBMUJFWSA-N 2 1 274.412 2.182 20 0 CEADMP c1nn(C2CCC2)cc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000921528397 642208385 /nfs/dbraw/zinc/20/83/85/642208385.db2.gz UKSWEOUVRSOGQD-ZDUSSCGKSA-N 2 1 274.412 2.182 20 0 CEADMP c1nn(C2CCC2)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000921528397 642208388 /nfs/dbraw/zinc/20/83/88/642208388.db2.gz UKSWEOUVRSOGQD-ZDUSSCGKSA-N 2 1 274.412 2.182 20 0 CEADMP c1nn(C2CCC2)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000921528397 642208398 /nfs/dbraw/zinc/20/83/98/642208398.db2.gz UKSWEOUVRSOGQD-ZDUSSCGKSA-N 2 1 274.412 2.182 20 0 CEADMP CC(C)CCNC(=[NH2+])NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000848987088 642208993 /nfs/dbraw/zinc/20/89/93/642208993.db2.gz HTOVSVUESUEMPQ-KGLIPLIRSA-N 2 1 268.449 2.409 20 0 CEADMP C[C@@H](CNC(=[NH2+])NC1CCCC1)[N@H+]1CCCC[C@@H]1C ZINC000848986863 642209712 /nfs/dbraw/zinc/20/97/12/642209712.db2.gz IOIYURZZYOZAAZ-STQMWFEESA-N 2 1 266.433 2.306 20 0 CEADMP CC[N@H+]1CC[C@H](CNCc2nccc3c2CCCC3)C1 ZINC000921545240 642219796 /nfs/dbraw/zinc/21/97/96/642219796.db2.gz DYPDCKWXBFPJIT-CQSZACIVSA-N 2 1 273.424 2.392 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2nccc3c2CCCC3)C1 ZINC000921545240 642219802 /nfs/dbraw/zinc/21/98/02/642219802.db2.gz DYPDCKWXBFPJIT-CQSZACIVSA-N 2 1 273.424 2.392 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2nccc3c2CCCC3)C1 ZINC000921545240 642219807 /nfs/dbraw/zinc/21/98/07/642219807.db2.gz DYPDCKWXBFPJIT-CQSZACIVSA-N 2 1 273.424 2.392 20 0 CEADMP C[C@@H](CNC(=[NH2+])NC1CCC1)[N@H+](C)Cc1ccccc1 ZINC000849007876 642224305 /nfs/dbraw/zinc/22/43/05/642224305.db2.gz ZHMHRCPJESTPNW-ZDUSSCGKSA-N 2 1 274.412 2.173 20 0 CEADMP C[C@@H](CNC(=[NH2+])NC1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000849007876 642224314 /nfs/dbraw/zinc/22/43/14/642224314.db2.gz ZHMHRCPJESTPNW-ZDUSSCGKSA-N 2 1 274.412 2.173 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000849013921 642229833 /nfs/dbraw/zinc/22/98/33/642229833.db2.gz RKACHFCLTNAWRB-CYBMUJFWSA-N 2 1 266.433 2.021 20 0 CEADMP CCCCCCNC(=[NH2+])NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000849022485 642236757 /nfs/dbraw/zinc/23/67/57/642236757.db2.gz DAKZMPYTUNQASC-OAHLLOKOSA-N 2 1 298.475 2.182 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(C)cs1 ZINC000849035994 642247540 /nfs/dbraw/zinc/24/75/40/642247540.db2.gz TZDGBZKHXIZRQQ-GFCCVEGCSA-N 2 1 280.441 2.155 20 0 CEADMP CCc1cccc(NC(=[NH2+])NCC2([NH+](C)C)CC2)c1 ZINC000849042976 642253019 /nfs/dbraw/zinc/25/30/19/642253019.db2.gz AWOMJPSZUQSICF-UHFFFAOYSA-N 2 1 260.385 2.279 20 0 CEADMP C[N@H+]1C[C@@H](CNC(=[NH2+])NC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000849046551 642255712 /nfs/dbraw/zinc/25/57/12/642255712.db2.gz VILUIVZIBKZDRN-CABCVRRESA-N 2 1 288.439 2.244 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])NC1CCCC1 ZINC000849046722 642255720 /nfs/dbraw/zinc/25/57/20/642255720.db2.gz KERLHYVYIMWHAF-UHFFFAOYSA-N 2 1 254.422 2.021 20 0 CEADMP CCc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000849050293 642258067 /nfs/dbraw/zinc/25/80/67/642258067.db2.gz YYJPZUTUSQVNNE-INIZCTEOSA-N 2 1 288.439 2.347 20 0 CEADMP CC[N@H+]1CCC[C@@H](CNCc2c(Cl)c(C)nn2C)C1 ZINC000921624066 642284982 /nfs/dbraw/zinc/28/49/82/642284982.db2.gz IZHLQVTYYPAQRU-LBPRGKRZSA-N 2 1 284.835 2.203 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC)CC1 ZINC000997611858 642311555 /nfs/dbraw/zinc/31/15/55/642311555.db2.gz DBZSIHNZHKYZHX-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@H]2CCCOC2)c1 ZINC000849349623 642340564 /nfs/dbraw/zinc/34/05/64/642340564.db2.gz DEUUHCAHLJEPET-COXVUDFISA-N 2 1 292.398 2.287 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C/C=C/CNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000227755934 642400988 /nfs/dbraw/zinc/40/09/88/642400988.db2.gz ZTNBNQFKXNWTFK-JLVOYYQZSA-N 2 1 297.443 2.140 20 0 CEADMP CS[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000921742850 642569137 /nfs/dbraw/zinc/56/91/37/642569137.db2.gz NXIIIYNAPMHOHG-UONOGXRCSA-N 2 1 286.485 2.361 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CCC2 ZINC000921750405 642577398 /nfs/dbraw/zinc/57/73/98/642577398.db2.gz VWERYLFTBGLDRY-MRXNPFEDSA-N 2 1 292.471 2.365 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000850172450 642603684 /nfs/dbraw/zinc/60/36/84/642603684.db2.gz BQKBVONKMPPXEQ-KGLIPLIRSA-N 2 1 276.428 2.260 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC001001391764 642718781 /nfs/dbraw/zinc/71/87/81/642718781.db2.gz IQZDXTDCMODQJH-INIZCTEOSA-N 2 1 295.471 2.096 20 0 CEADMP CCOC(=O)NC1CCC([NH2+][C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000850469424 642722006 /nfs/dbraw/zinc/72/20/06/642722006.db2.gz RNWINEMJFOSALX-NFOMZHRRSA-N 2 1 299.459 2.362 20 0 CEADMP CCOC(=O)NC1CCC([NH2+][C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000850469424 642722009 /nfs/dbraw/zinc/72/20/09/642722009.db2.gz RNWINEMJFOSALX-NFOMZHRRSA-N 2 1 299.459 2.362 20 0 CEADMP C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850509439 642736471 /nfs/dbraw/zinc/73/64/71/642736471.db2.gz QDDOCONTAXZLIF-KBRIMQKVSA-N 2 1 274.408 2.141 20 0 CEADMP CC[C@H](C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003161867 642918886 /nfs/dbraw/zinc/91/88/86/642918886.db2.gz ZFUJRDKOXJMKLV-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000922283503 643000250 /nfs/dbraw/zinc/00/02/50/643000250.db2.gz BTNZEJGCDMHEKJ-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000922283503 643000258 /nfs/dbraw/zinc/00/02/58/643000258.db2.gz BTNZEJGCDMHEKJ-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP CC(C)CCC[NH2+][C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922385848 643057530 /nfs/dbraw/zinc/05/75/30/643057530.db2.gz CAQFBFWSKVOPJP-QBPKDAKJSA-N 2 1 282.472 2.492 20 0 CEADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccco3)C2)[C@@H]1C(C)C ZINC000922391957 643058811 /nfs/dbraw/zinc/05/88/11/643058811.db2.gz IFFPJUNTVRIKMF-NCOADZHNSA-N 2 1 292.423 2.239 20 0 CEADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccoc3)C2)[C@H]1C(C)C ZINC000922394283 643059433 /nfs/dbraw/zinc/05/94/33/643059433.db2.gz PQFICUJCJFGAAX-QBPKDAKJSA-N 2 1 292.423 2.239 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000110066367 643066435 /nfs/dbraw/zinc/06/64/35/643066435.db2.gz BYBUNOFQUKXGRU-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H](C)Cc1ccccc1C)C[NH+](C)C ZINC000922754972 643245730 /nfs/dbraw/zinc/24/57/30/643245730.db2.gz WFEDWRSUBRZIIR-RDJZCZTQSA-N 2 1 278.440 2.482 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC001005475569 643409290 /nfs/dbraw/zinc/40/92/90/643409290.db2.gz JQZMZBRZZPIGEL-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001005592384 643422142 /nfs/dbraw/zinc/42/21/42/643422142.db2.gz LMWFTKIYSCGRHR-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H]1CCCC[C@H]1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669773 650842311 /nfs/dbraw/zinc/84/23/11/650842311.db2.gz YSOORLGGVPSEIF-WNRNVDISSA-N 2 1 295.515 2.484 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2CC2(Cl)Cl)CCO1 ZINC000852760228 643540732 /nfs/dbraw/zinc/54/07/32/643540732.db2.gz CMLOOHQKYUUGGL-VXGBXAGGSA-N 2 1 295.254 2.223 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H]2CC2(Cl)Cl)CCO1 ZINC000852760228 643540737 /nfs/dbraw/zinc/54/07/37/643540737.db2.gz CMLOOHQKYUUGGL-VXGBXAGGSA-N 2 1 295.254 2.223 20 0 CEADMP C[C@@H]1CC[N@@H+](CCC2SCCS2)C[C@@H]1C[NH3+] ZINC000853023493 643625568 /nfs/dbraw/zinc/62/55/68/643625568.db2.gz YZFZPOTYQLBUGQ-MNOVXSKESA-N 2 1 260.472 2.099 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H](O)CCc1ccccc1 ZINC000923299394 643644173 /nfs/dbraw/zinc/64/41/73/643644173.db2.gz ZGDALDCXRKHKOF-SJORKVTESA-N 2 1 278.440 2.285 20 0 CEADMP Cc1cccc(OC[C@H](O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000923299024 643644454 /nfs/dbraw/zinc/64/44/54/643644454.db2.gz WHOSEEWOFWURFU-WBVHZDCISA-N 2 1 294.439 2.040 20 0 CEADMP CC[N@H+](Cc1ccccc1Cl)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923303176 643650206 /nfs/dbraw/zinc/65/02/06/643650206.db2.gz IHTLYXIMPYRLBD-UBHSHLNASA-N 2 1 268.788 2.013 20 0 CEADMP CC[N@@H+](Cc1ccccc1Cl)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923303176 643650208 /nfs/dbraw/zinc/65/02/08/643650208.db2.gz IHTLYXIMPYRLBD-UBHSHLNASA-N 2 1 268.788 2.013 20 0 CEADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303499 643650389 /nfs/dbraw/zinc/65/03/89/643650389.db2.gz DWHOZQRAXPOYHP-DGCLKSJQSA-N 2 1 296.361 2.336 20 0 CEADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923303794 643651571 /nfs/dbraw/zinc/65/15/71/643651571.db2.gz QHYJBCUMHPLXGD-IHRRRGAJSA-N 2 1 268.788 2.013 20 0 CEADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923305391 643651817 /nfs/dbraw/zinc/65/18/17/643651817.db2.gz YOSUHPBSTPVDBL-GDBMZVCRSA-N 2 1 274.408 2.366 20 0 CEADMP CC(C)C[C@H]1CCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923313918 643652879 /nfs/dbraw/zinc/65/28/79/643652879.db2.gz MRBGGRGLOBMLJY-CABCVRRESA-N 2 1 266.429 2.266 20 0 CEADMP CCO[C@H]1C[C@H]([N@@H+](C)CCC[NH2+]C2CC2)C1(C)C ZINC000923314818 643655013 /nfs/dbraw/zinc/65/50/13/643655013.db2.gz YYSZDPNMICGWHR-KBPBESRZSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H]1CCCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316710 643656278 /nfs/dbraw/zinc/65/62/78/643656278.db2.gz RLZSDGJZXWQHAL-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316783 643656308 /nfs/dbraw/zinc/65/63/08/643656308.db2.gz WTBYFFFXPZUGPZ-LXTVHRRPSA-N 2 1 264.413 2.018 20 0 CEADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000923311986 643658739 /nfs/dbraw/zinc/65/87/39/643658739.db2.gz FEYPEVNKRYJZKG-QAETUUGQSA-N 2 1 274.408 2.107 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000923329524 643661506 /nfs/dbraw/zinc/66/15/06/643661506.db2.gz VLXQIXAWHGGBLX-HRCADAONSA-N 2 1 268.445 2.248 20 0 CEADMP c1cnn(C[C@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923322383 643662520 /nfs/dbraw/zinc/66/25/20/643662520.db2.gz KYUPWHRQYHWFHN-NPYXIHBLSA-N 2 1 288.439 2.268 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000923348769 643672317 /nfs/dbraw/zinc/67/23/17/643672317.db2.gz JYYKOJWNCBLDPB-NHYWBVRUSA-N 2 1 284.350 2.059 20 0 CEADMP C[C@H](O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923341526 643674419 /nfs/dbraw/zinc/67/44/19/643674419.db2.gz LYOANJVVIVUATM-JSGCOSHPSA-N 2 1 280.437 2.073 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923363490 643679903 /nfs/dbraw/zinc/67/99/03/643679903.db2.gz BVCNGDFVNYFDEM-JYJNAYRXSA-N 2 1 268.445 2.248 20 0 CEADMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000923378364 643686997 /nfs/dbraw/zinc/68/69/97/643686997.db2.gz HTOFLKZIOHEGFU-SFHVURJKSA-N 2 1 286.419 2.285 20 0 CEADMP C(C[N@H+]1CCC[C@@H]2OCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923385384 643691488 /nfs/dbraw/zinc/69/14/88/643691488.db2.gz BRJVOLPKCOPJPY-AQBKWJQSSA-N 2 1 264.413 2.160 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2)[C@H]1CC[NH3+] ZINC000923385353 643691781 /nfs/dbraw/zinc/69/17/81/643691781.db2.gz ADLDXSKAEUJSLU-UHOFOFEASA-N 2 1 280.387 2.308 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CC[NH3+] ZINC000923386939 643692886 /nfs/dbraw/zinc/69/28/86/643692886.db2.gz LKPWQZDJBHGZBT-ZCRFILTFSA-N 2 1 279.472 2.356 20 0 CEADMP CO[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)[C@@](C)(C[NH3+])C1 ZINC000923410446 643700420 /nfs/dbraw/zinc/70/04/20/643700420.db2.gz HPZFYIPGZGOKRU-HUUCEWRRSA-N 2 1 266.429 2.395 20 0 CEADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000923414255 643702167 /nfs/dbraw/zinc/70/21/67/643702167.db2.gz BDDCSPDWNONBFG-HZPDHXFCSA-N 2 1 278.440 2.267 20 0 CEADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCNCC[NH2+]CC1 ZINC000923461446 643724439 /nfs/dbraw/zinc/72/44/39/643724439.db2.gz NKRAWCHHTMPZPU-OAHLLOKOSA-N 2 1 283.419 2.396 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)CC[C@H]1C[NH3+] ZINC000923496376 643733957 /nfs/dbraw/zinc/73/39/57/643733957.db2.gz BPGKMEAHAYXVCU-JQWIXIFHSA-N 2 1 296.798 2.485 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccnc2Cl)CC[C@H]1C[NH3+] ZINC000923496440 643734160 /nfs/dbraw/zinc/73/41/60/643734160.db2.gz AAMUUGKOQSZKCY-QWRGUYRKSA-N 2 1 253.777 2.152 20 0 CEADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495623 643734488 /nfs/dbraw/zinc/73/44/88/643734488.db2.gz CZTVLBCCLWVBJB-RBSFLKMASA-N 2 1 295.471 2.083 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccn(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000923496541 643735112 /nfs/dbraw/zinc/73/51/12/643735112.db2.gz JKEJCFBAMNJKBS-LSDHHAIUSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(O)ccc2Cl)CC[C@@H]1C[NH3+] ZINC000923490961 643736013 /nfs/dbraw/zinc/73/60/13/643736013.db2.gz PFSRQNMCKHTPPG-WDEREUQCSA-N 2 1 268.788 2.462 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2cccc(F)c2)CC[C@H]1C[NH3+] ZINC000923492356 643736315 /nfs/dbraw/zinc/73/63/15/643736315.db2.gz NNZKWKKJGHEKAS-OCCSQVGLSA-N 2 1 250.361 2.285 20 0 CEADMP C[C@H]1C[N@@H+](CCSC(F)(F)F)CC[C@H]1C[NH3+] ZINC000923492260 643736510 /nfs/dbraw/zinc/73/65/10/643736510.db2.gz MLTJSYBSXNAWTA-IUCAKERBSA-N 2 1 256.337 2.156 20 0 CEADMP CC(C)c1cnc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923500378 643740461 /nfs/dbraw/zinc/74/04/61/643740461.db2.gz OCFSCTQWWMYWTA-NWDGAFQWSA-N 2 1 251.374 2.215 20 0 CEADMP Cc1nnc([C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)[nH]1 ZINC000923505397 643743408 /nfs/dbraw/zinc/74/34/08/643743408.db2.gz ANWRRBYMURZWSU-TZMCWYRMSA-N 2 1 291.443 2.276 20 0 CEADMP Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923507264 643744398 /nfs/dbraw/zinc/74/43/98/643744398.db2.gz JPGPPYKVAVQZSE-GJZGRUSLSA-N 2 1 289.423 2.159 20 0 CEADMP Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923507266 643744439 /nfs/dbraw/zinc/74/44/39/643744439.db2.gz JPGPPYKVAVQZSE-HUUCEWRRSA-N 2 1 289.423 2.159 20 0 CEADMP Clc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923520195 643748165 /nfs/dbraw/zinc/74/81/65/643748165.db2.gz KGHGHKJDZJIPOI-QWHCGFSZSA-N 2 1 250.773 2.381 20 0 CEADMP Clc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923520195 643748167 /nfs/dbraw/zinc/74/81/67/643748167.db2.gz KGHGHKJDZJIPOI-QWHCGFSZSA-N 2 1 250.773 2.381 20 0 CEADMP OC[C@H]1CCCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923532112 643753007 /nfs/dbraw/zinc/75/30/07/643753007.db2.gz ZCQMPCMUYXGPSR-WTXIUTQJSA-N 2 1 266.429 2.144 20 0 CEADMP Cc1ccc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c(C)c1 ZINC000111824605 643966051 /nfs/dbraw/zinc/96/60/51/643966051.db2.gz DXZPOQGHNCEBMW-QGZVFWFLSA-N 2 1 287.451 2.425 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4nccnc4c3)CC[C@H]21 ZINC000877739305 650880902 /nfs/dbraw/zinc/88/09/02/650880902.db2.gz NZWLJCWJHABPHD-RHSMWYFYSA-N 2 1 282.391 2.156 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4nccnc4c3)CC[C@H]21 ZINC000877739305 650880907 /nfs/dbraw/zinc/88/09/07/650880907.db2.gz NZWLJCWJHABPHD-RHSMWYFYSA-N 2 1 282.391 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4nccnc4c3)CC[C@H]21 ZINC000877739305 650880909 /nfs/dbraw/zinc/88/09/09/650880909.db2.gz NZWLJCWJHABPHD-RHSMWYFYSA-N 2 1 282.391 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4nccnc4c3)CC[C@H]21 ZINC000877739305 650880913 /nfs/dbraw/zinc/88/09/13/650880913.db2.gz NZWLJCWJHABPHD-RHSMWYFYSA-N 2 1 282.391 2.156 20 0 CEADMP COC1(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CCCCC1 ZINC000877740219 650882156 /nfs/dbraw/zinc/88/21/56/650882156.db2.gz JCTRZBKVJYDSSX-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP COC1(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CCCCC1 ZINC000877740219 650882157 /nfs/dbraw/zinc/88/21/57/650882157.db2.gz JCTRZBKVJYDSSX-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP COC1(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)CCCCC1 ZINC000877740219 650882158 /nfs/dbraw/zinc/88/21/58/650882158.db2.gz JCTRZBKVJYDSSX-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc2c(c1)CCO2 ZINC000854226591 644016162 /nfs/dbraw/zinc/01/61/62/644016162.db2.gz IQIWCTOXZFVKNX-VXKCQOAXSA-N 2 1 272.392 2.414 20 0 CEADMP O[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000854229618 644017413 /nfs/dbraw/zinc/01/74/13/644017413.db2.gz SJTGOXHGFFUAQJ-YNRDECTASA-N 2 1 258.365 2.037 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4c[nH]nc4c3)CC[C@@H]21 ZINC000877742908 650887100 /nfs/dbraw/zinc/88/71/00/650887100.db2.gz HBKVKRFSJQKKDI-HOCLYGCPSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc4c[nH]nc4c3)CC[C@@H]21 ZINC000877742908 650887106 /nfs/dbraw/zinc/88/71/06/650887106.db2.gz HBKVKRFSJQKKDI-HOCLYGCPSA-N 2 1 270.380 2.089 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)CC[C@@H]21 ZINC000877742908 650887113 /nfs/dbraw/zinc/88/71/13/650887113.db2.gz HBKVKRFSJQKKDI-HOCLYGCPSA-N 2 1 270.380 2.089 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)CC[C@@H]21 ZINC000877742908 650887118 /nfs/dbraw/zinc/88/71/18/650887118.db2.gz HBKVKRFSJQKKDI-HOCLYGCPSA-N 2 1 270.380 2.089 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C1CC1 ZINC000838934930 644090757 /nfs/dbraw/zinc/09/07/57/644090757.db2.gz BUAJJBJHIARZOL-ZTFGCOKTSA-N 2 1 288.435 2.258 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cn(-c3ccccc3)nn2)C1 ZINC000839182890 644182632 /nfs/dbraw/zinc/18/26/32/644182632.db2.gz RBRNQFYPWNMUEV-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000886612029 644264174 /nfs/dbraw/zinc/26/41/74/644264174.db2.gz AACPEPPXCSGICY-MCIONIFRSA-N 2 1 270.417 2.038 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000886612029 644264177 /nfs/dbraw/zinc/26/41/77/644264177.db2.gz AACPEPPXCSGICY-MCIONIFRSA-N 2 1 270.417 2.038 20 0 CEADMP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877818228 650919941 /nfs/dbraw/zinc/91/99/41/650919941.db2.gz YXUPBYKWWRMNAI-JQHSSLGASA-N 2 1 288.435 2.475 20 0 CEADMP CO[C@@H](C)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877818228 650919944 /nfs/dbraw/zinc/91/99/44/650919944.db2.gz YXUPBYKWWRMNAI-JQHSSLGASA-N 2 1 288.435 2.475 20 0 CEADMP CO[C@@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877818228 650919947 /nfs/dbraw/zinc/91/99/47/650919947.db2.gz YXUPBYKWWRMNAI-JQHSSLGASA-N 2 1 288.435 2.475 20 0 CEADMP CO[C@@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877818228 650919949 /nfs/dbraw/zinc/91/99/49/650919949.db2.gz YXUPBYKWWRMNAI-JQHSSLGASA-N 2 1 288.435 2.475 20 0 CEADMP CC(C)C[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000757562141 644817512 /nfs/dbraw/zinc/81/75/12/644817512.db2.gz YMFGGWNZEHTOFD-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)C[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000757562141 644817514 /nfs/dbraw/zinc/81/75/14/644817514.db2.gz YMFGGWNZEHTOFD-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](CN2CCC2=O)CC1)CC1CC1 ZINC000857234537 644864967 /nfs/dbraw/zinc/86/49/67/644864967.db2.gz SAXRAPHSYOWSMA-UHFFFAOYSA-N 2 1 293.455 2.010 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857252944 644870851 /nfs/dbraw/zinc/87/08/51/644870851.db2.gz GBYJSOZZOKUTCT-KXUCPTDWSA-N 2 1 251.201 2.158 20 0 CEADMP CCOC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000858093384 645058941 /nfs/dbraw/zinc/05/89/41/645058941.db2.gz ZWIVBPIQBCQJAY-CQSZACIVSA-N 2 1 297.443 2.070 20 0 CEADMP OCc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc[nH+]1 ZINC000858454080 645165792 /nfs/dbraw/zinc/16/57/92/645165792.db2.gz VDQFEIMXZRXZIH-DYVFJYSZSA-N 2 1 287.407 2.027 20 0 CEADMP CC(C)C[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC(C)(C)C ZINC000762061646 645359325 /nfs/dbraw/zinc/35/93/25/645359325.db2.gz ICVREUXGAVQDQA-HNNXBMFYSA-N 2 1 270.461 2.447 20 0 CEADMP CC(C)C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC(C)(C)C ZINC000762061646 645359331 /nfs/dbraw/zinc/35/93/31/645359331.db2.gz ICVREUXGAVQDQA-HNNXBMFYSA-N 2 1 270.461 2.447 20 0 CEADMP C[N@@H+](CCCOC(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000878125123 651007666 /nfs/dbraw/zinc/00/76/66/651007666.db2.gz MLUCLODRXNDDPI-LLVKDONJSA-N 2 1 268.323 2.187 20 0 CEADMP C[NH+](CCCOC(F)(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000878125123 651007667 /nfs/dbraw/zinc/00/76/67/651007667.db2.gz MLUCLODRXNDDPI-LLVKDONJSA-N 2 1 268.323 2.187 20 0 CEADMP C[NH+](CCCOC(F)(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878125123 651007669 /nfs/dbraw/zinc/00/76/69/651007669.db2.gz MLUCLODRXNDDPI-LLVKDONJSA-N 2 1 268.323 2.187 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC3(CCC3)CO2)CC[N@@H+]1C ZINC000878162631 651019746 /nfs/dbraw/zinc/01/97/46/651019746.db2.gz HSTOJZJIUMOAML-RBSFLKMASA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC3(CCC3)CO2)CC[N@H+]1C ZINC000878162631 651019750 /nfs/dbraw/zinc/01/97/50/651019750.db2.gz HSTOJZJIUMOAML-RBSFLKMASA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC3(CCC3)CO2)CC[NH+]1C ZINC000878162631 651019755 /nfs/dbraw/zinc/01/97/55/651019755.db2.gz HSTOJZJIUMOAML-RBSFLKMASA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC3(CCC3)CO2)CC[NH+]1C ZINC000878162631 651019759 /nfs/dbraw/zinc/01/97/59/651019759.db2.gz HSTOJZJIUMOAML-RBSFLKMASA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCC3(CCOCC3)O2)CC[N@@H+]1C ZINC000878163840 651019950 /nfs/dbraw/zinc/01/99/50/651019950.db2.gz XLRSITAWVQNTHW-PMPSAXMXSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCC3(CCOCC3)O2)CC[N@H+]1C ZINC000878163840 651019953 /nfs/dbraw/zinc/01/99/53/651019953.db2.gz XLRSITAWVQNTHW-PMPSAXMXSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC3(CCOCC3)O2)CC[NH+]1C ZINC000878163840 651019955 /nfs/dbraw/zinc/01/99/55/651019955.db2.gz XLRSITAWVQNTHW-PMPSAXMXSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC3(CCOCC3)O2)CC[NH+]1C ZINC000878163840 651019957 /nfs/dbraw/zinc/01/99/57/651019957.db2.gz XLRSITAWVQNTHW-PMPSAXMXSA-N 2 1 296.455 2.129 20 0 CEADMP CCC1CCC([N@@H+](C)CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878164182 651020971 /nfs/dbraw/zinc/02/09/71/651020971.db2.gz ANNWWRSESVCHJY-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](C[N@H+](C)CC[C@H]1CCC[NH+]1C)NC(=O)OC(C)(C)C ZINC000860095564 645699325 /nfs/dbraw/zinc/69/93/25/645699325.db2.gz GENYZFKLAUXOCH-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H](C[N@@H+](C)CC[C@H]1CCC[NH+]1C)NC(=O)OC(C)(C)C ZINC000860095564 645699329 /nfs/dbraw/zinc/69/93/29/645699329.db2.gz GENYZFKLAUXOCH-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H](C[NH+](C)CC[C@H]1CCC[N@@H+]1C)NC(=O)OC(C)(C)C ZINC000860095564 645699332 /nfs/dbraw/zinc/69/93/32/645699332.db2.gz GENYZFKLAUXOCH-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H](C[NH+](C)CC[C@H]1CCC[N@H+]1C)NC(=O)OC(C)(C)C ZINC000860095564 645699337 /nfs/dbraw/zinc/69/93/37/645699337.db2.gz GENYZFKLAUXOCH-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000878235422 651042282 /nfs/dbraw/zinc/04/22/82/651042282.db2.gz GRUMNYBBYWOYEF-OAHLLOKOSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000765767845 645805293 /nfs/dbraw/zinc/80/52/93/645805293.db2.gz HTGFFRNMNCIRBV-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCN(C)C3)CC2)C1 ZINC000765767845 645805298 /nfs/dbraw/zinc/80/52/98/645805298.db2.gz HTGFFRNMNCIRBV-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000765902871 645820541 /nfs/dbraw/zinc/82/05/41/645820541.db2.gz FSFNVAKFGOQRHM-INIZCTEOSA-N 2 1 288.435 2.417 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCNc2ccccc2)[C@H](C)C1 ZINC000766514119 645896798 /nfs/dbraw/zinc/89/67/98/645896798.db2.gz FWHOSNDTTNHMQV-GDBMZVCRSA-N 2 1 261.413 2.418 20 0 CEADMP Cc1noc(C)c1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000766532341 645900284 /nfs/dbraw/zinc/90/02/84/645900284.db2.gz WXLZVHXJSSVASX-SMDDNHRTSA-N 2 1 265.401 2.296 20 0 CEADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000878302358 651059307 /nfs/dbraw/zinc/05/93/07/651059307.db2.gz KUNCIUPXLKIKGH-LBPRGKRZSA-N 2 1 286.379 2.276 20 0 CEADMP Cn1ccnc1[C@H]1CCN(Cc2nc3c(o2)CCCC3)C1 ZINC000878302358 651059309 /nfs/dbraw/zinc/05/93/09/651059309.db2.gz KUNCIUPXLKIKGH-LBPRGKRZSA-N 2 1 286.379 2.276 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2CCCO2)cc1 ZINC000768249608 646101016 /nfs/dbraw/zinc/10/10/16/646101016.db2.gz VYIIOIMQLLADNC-INIZCTEOSA-N 2 1 262.397 2.359 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccncc1 ZINC000768402520 646120439 /nfs/dbraw/zinc/12/04/39/646120439.db2.gz LIWXPTOWQYNSFQ-PBHICJAKSA-N 2 1 289.423 2.376 20 0 CEADMP FC(F)C1CC([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000768691807 646154216 /nfs/dbraw/zinc/15/42/16/646154216.db2.gz YDOMKBVTIRCJAR-UHFFFAOYSA-N 2 1 288.382 2.265 20 0 CEADMP COCCC[NH+]1CCC([NH2+]Cc2ccnc(F)c2C)CC1 ZINC000862274151 646388548 /nfs/dbraw/zinc/38/85/48/646388548.db2.gz GKKBZDRRHHVVDQ-UHFFFAOYSA-N 2 1 295.402 2.120 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1(C)C ZINC000770510818 646400176 /nfs/dbraw/zinc/40/01/76/646400176.db2.gz RFUQWYJQMKXPFH-LSDHHAIUSA-N 2 1 268.445 2.464 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2nc3c(s2)CCC3)[C@@H](C)C1 ZINC000771844130 646558857 /nfs/dbraw/zinc/55/88/57/646558857.db2.gz WEEFTBHNOIXYTL-NWDGAFQWSA-N 2 1 279.453 2.452 20 0 CEADMP C[C@@H]1CC2(C[N@@H+]1Cc1cc(Cl)n(C)n1)CC[NH2+]CC2 ZINC000863547567 646754003 /nfs/dbraw/zinc/75/40/03/646754003.db2.gz PWNGSPVIDPXSJG-LLVKDONJSA-N 2 1 282.819 2.038 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)n(C)n1)CC[NH2+]CC2 ZINC000863547567 646754005 /nfs/dbraw/zinc/75/40/05/646754005.db2.gz PWNGSPVIDPXSJG-LLVKDONJSA-N 2 1 282.819 2.038 20 0 CEADMP c1ccc([C@@H]2C[C@H]3C[N@H+](C[C@H]4CCC5(C[NH2+]C5)O4)C[C@H]32)cc1 ZINC000863558349 646756192 /nfs/dbraw/zinc/75/61/92/646756192.db2.gz ZPHWZTKZCBHTEY-XWTMOSNGSA-N 2 1 298.430 2.243 20 0 CEADMP c1ccc([C@@H]2C[C@H]3C[N@H+](C[C@@H]4CCC5(C[NH2+]C5)O4)C[C@H]32)cc1 ZINC000863558348 646756318 /nfs/dbraw/zinc/75/63/18/646756318.db2.gz ZPHWZTKZCBHTEY-XLAORIBOSA-N 2 1 298.430 2.243 20 0 CEADMP Cc1c[nH]nc1C[NH2+]CCCCCCC[NH+](C)C ZINC000810135536 646760546 /nfs/dbraw/zinc/76/05/46/646760546.db2.gz PIEBIJSKFKXDBL-UHFFFAOYSA-N 2 1 252.406 2.320 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)nc1 ZINC000776264525 647043912 /nfs/dbraw/zinc/04/39/12/647043912.db2.gz JCGWOYLNOWPVGA-SNVBAGLBSA-N 2 1 264.760 2.362 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865451094 647298753 /nfs/dbraw/zinc/29/87/53/647298753.db2.gz IVZSLIWQMYXASI-IUDNXUCKSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@@H](CCO)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000779396852 647319201 /nfs/dbraw/zinc/31/92/01/647319201.db2.gz QZGPSCCDUMIAFK-UONOGXRCSA-N 2 1 282.453 2.321 20 0 CEADMP C[C@@H](CCO)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000779396852 647319204 /nfs/dbraw/zinc/31/92/04/647319204.db2.gz QZGPSCCDUMIAFK-UONOGXRCSA-N 2 1 282.453 2.321 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(F)c2)CC1(C)C ZINC000865722181 647439614 /nfs/dbraw/zinc/43/96/14/647439614.db2.gz FVNVOQJZGKVERV-GFCCVEGCSA-N 2 1 251.349 2.183 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(F)c2)CC1(C)C ZINC000865722181 647439615 /nfs/dbraw/zinc/43/96/15/647439615.db2.gz FVNVOQJZGKVERV-GFCCVEGCSA-N 2 1 251.349 2.183 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1c2ccccc2CN1C ZINC000865805642 647470081 /nfs/dbraw/zinc/47/00/81/647470081.db2.gz HQMPGSYBOVDSKP-GOSISDBHSA-N 2 1 296.418 2.424 20 0 CEADMP Cc1cc(CO)cc(N2CCC3(CC2)CC[NH+](C)CC3)[nH+]1 ZINC000866055022 647590052 /nfs/dbraw/zinc/59/00/52/647590052.db2.gz LYTMPTMZQTYKAY-UHFFFAOYSA-N 2 1 289.423 2.195 20 0 CEADMP CC(C)[NH+]1CCC(CCNc2cc[nH+]c(N(C)C)n2)CC1 ZINC000866086094 647602702 /nfs/dbraw/zinc/60/27/02/647602702.db2.gz OOTYXQLRYGFFBZ-UHFFFAOYSA-N 2 1 291.443 2.465 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000866231266 647684583 /nfs/dbraw/zinc/68/45/83/647684583.db2.gz UZBRPYOKEJCVOH-MRXNPFEDSA-N 2 1 278.440 2.484 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CC2(C)OCCO2)[C@H](C)C1 ZINC000866424690 647782736 /nfs/dbraw/zinc/78/27/36/647782736.db2.gz NIEMXQQDJCHOKX-KFWWJZLASA-N 2 1 284.444 2.096 20 0 CEADMP C[C@@H](CCO)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561719 647825584 /nfs/dbraw/zinc/82/55/84/647825584.db2.gz KCJPNGZEQSAHRP-DZGCQCFKSA-N 2 1 254.418 2.144 20 0 CEADMP C[C@@H](CCO)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561719 647825586 /nfs/dbraw/zinc/82/55/86/647825586.db2.gz KCJPNGZEQSAHRP-DZGCQCFKSA-N 2 1 254.418 2.144 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c([nH]c2=O)CCCC3)CC[N@@H+]1C ZINC000866641051 647852330 /nfs/dbraw/zinc/85/23/30/647852330.db2.gz MYDYAFIQMARUPG-DOMZBBRYSA-N 2 1 289.423 2.238 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c([nH]c2=O)CCCC3)CC[N@H+]1C ZINC000866641051 647852336 /nfs/dbraw/zinc/85/23/36/647852336.db2.gz MYDYAFIQMARUPG-DOMZBBRYSA-N 2 1 289.423 2.238 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000866658946 647858772 /nfs/dbraw/zinc/85/87/72/647858772.db2.gz AQHBTOJJMXHFRO-UHFFFAOYSA-N 2 1 263.385 2.374 20 0 CEADMP CC1(C)CC[C@@H](C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)OC1 ZINC000866666839 647861653 /nfs/dbraw/zinc/86/16/53/647861653.db2.gz WFGZDHIBWXBROR-HOCLYGCPSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1noc(CCC[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866705830 647876889 /nfs/dbraw/zinc/87/68/89/647876889.db2.gz CIFZUZRYLBTIIK-OAHLLOKOSA-N 2 1 280.416 2.008 20 0 CEADMP CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705944 647877390 /nfs/dbraw/zinc/87/73/90/647877390.db2.gz KHXVWJLPLBUNFN-QGZVFWFLSA-N 2 1 297.487 2.236 20 0 CEADMP CC(C)(C)CCNC(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705944 647877391 /nfs/dbraw/zinc/87/73/91/647877391.db2.gz KHXVWJLPLBUNFN-QGZVFWFLSA-N 2 1 297.487 2.236 20 0 CEADMP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709431 647878272 /nfs/dbraw/zinc/87/82/72/647878272.db2.gz XNNYOAAGZKWOOD-CJNGLKHVSA-N 2 1 284.444 2.415 20 0 CEADMP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709431 647878273 /nfs/dbraw/zinc/87/82/73/647878273.db2.gz XNNYOAAGZKWOOD-CJNGLKHVSA-N 2 1 284.444 2.415 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000866709675 647879409 /nfs/dbraw/zinc/87/94/09/647879409.db2.gz YJRYOCPBMKSEOM-MRXNPFEDSA-N 2 1 261.413 2.466 20 0 CEADMP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@H]2CC[NH2+]C2)no1 ZINC000866715483 647880374 /nfs/dbraw/zinc/88/03/74/647880374.db2.gz OSIQUNHKZNKXPD-FFHGMXDLSA-N 2 1 290.411 2.088 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000785477530 647931329 /nfs/dbraw/zinc/93/13/29/647931329.db2.gz RJOMKIRCQUFYKX-GWCFXTLKSA-N 2 1 251.349 2.101 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000785477530 647931334 /nfs/dbraw/zinc/93/13/34/647931334.db2.gz RJOMKIRCQUFYKX-GWCFXTLKSA-N 2 1 251.349 2.101 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cncc4ccccc43)C[C@@H]2C1 ZINC000785921842 647969383 /nfs/dbraw/zinc/96/93/83/647969383.db2.gz GMJFESJGWWDKIR-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cncc4ccccc43)C[C@@H]2C1 ZINC000785921842 647969384 /nfs/dbraw/zinc/96/93/84/647969384.db2.gz GMJFESJGWWDKIR-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cncc4ccccc43)C[C@@H]2C1 ZINC000785921842 647969386 /nfs/dbraw/zinc/96/93/86/647969386.db2.gz GMJFESJGWWDKIR-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cncc4ccccc43)C[C@@H]2C1 ZINC000785921842 647969390 /nfs/dbraw/zinc/96/93/90/647969390.db2.gz GMJFESJGWWDKIR-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccnc(Cl)c1 ZINC000788254023 648165621 /nfs/dbraw/zinc/16/56/21/648165621.db2.gz DOFXOYMOQGQDOS-SNVBAGLBSA-N 2 1 264.760 2.362 20 0 CEADMP CC(C)[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)c1ccccc1 ZINC000788619702 648208723 /nfs/dbraw/zinc/20/87/23/648208723.db2.gz FQUPTVARWAMZKJ-IRXDYDNUSA-N 2 1 276.424 2.428 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000792976368 648693774 /nfs/dbraw/zinc/69/37/74/648693774.db2.gz CDZMIEAEUJBVJO-BRWVUGGUSA-N 2 1 296.455 2.177 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870867603 648937633 /nfs/dbraw/zinc/93/76/33/648937633.db2.gz SHSGFNHBZAYGRZ-JYJNAYRXSA-N 2 1 295.471 2.275 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871357534 649070317 /nfs/dbraw/zinc/07/03/17/649070317.db2.gz MRZVJXBYUDWKKM-ISXOHVOVSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H](C1CC1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000871972979 649232704 /nfs/dbraw/zinc/23/27/04/649232704.db2.gz GMICIASRPBJJNY-MAUKXSAKSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H](C1CC1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000871972979 649232709 /nfs/dbraw/zinc/23/27/09/649232709.db2.gz GMICIASRPBJJNY-MAUKXSAKSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H](C1CC1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000871972979 649232713 /nfs/dbraw/zinc/23/27/13/649232713.db2.gz GMICIASRPBJJNY-MAUKXSAKSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H](C1CC1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000871972979 649232715 /nfs/dbraw/zinc/23/27/15/649232715.db2.gz GMICIASRPBJJNY-MAUKXSAKSA-N 2 1 288.435 2.354 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000872143140 649292047 /nfs/dbraw/zinc/29/20/47/649292047.db2.gz MRLPEWQGFAZRBQ-YHUYYLMFSA-N 2 1 266.429 2.123 20 0 CEADMP CCc1cccc(OCC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872153067 649297152 /nfs/dbraw/zinc/29/71/52/649297152.db2.gz YXFRGIBNQOYHBX-DOTOQJQBSA-N 2 1 274.408 2.169 20 0 CEADMP CCc1cccc(OCC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872153067 649297154 /nfs/dbraw/zinc/29/71/54/649297154.db2.gz YXFRGIBNQOYHBX-DOTOQJQBSA-N 2 1 274.408 2.169 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000872150712 649297436 /nfs/dbraw/zinc/29/74/36/649297436.db2.gz ZZWWCIWAGLYXDW-YNEHKIRRSA-N 2 1 294.361 2.261 20 0 CEADMP CC(C)NC(=O)C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157866 649300368 /nfs/dbraw/zinc/30/03/68/649300368.db2.gz SVAGEYXEDOGPPD-GDBMZVCRSA-N 2 1 295.471 2.131 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000872305678 649351501 /nfs/dbraw/zinc/35/15/01/649351501.db2.gz LUZKRRMCXUEDGW-XUWVNRHRSA-N 2 1 293.455 2.027 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(Cc3cccc4c3NCC4)CC[C@@H]21 ZINC000873219008 649594519 /nfs/dbraw/zinc/59/45/19/649594519.db2.gz BOTGMILYISSTBD-ZBFHGGJFSA-N 2 1 271.408 2.181 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4c3NCC4)CC[C@@H]21 ZINC000873219008 649594521 /nfs/dbraw/zinc/59/45/21/649594521.db2.gz BOTGMILYISSTBD-ZBFHGGJFSA-N 2 1 271.408 2.181 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc4c3NCC4)CC[C@@H]21 ZINC000873219008 649594524 /nfs/dbraw/zinc/59/45/24/649594524.db2.gz BOTGMILYISSTBD-ZBFHGGJFSA-N 2 1 271.408 2.181 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc4c3NCC4)CC[C@@H]21 ZINC000873219008 649594527 /nfs/dbraw/zinc/59/45/27/649594527.db2.gz BOTGMILYISSTBD-ZBFHGGJFSA-N 2 1 271.408 2.181 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc4c3NCC4)CC[C@@H]21 ZINC000873219008 649594528 /nfs/dbraw/zinc/59/45/28/649594528.db2.gz BOTGMILYISSTBD-ZBFHGGJFSA-N 2 1 271.408 2.181 20 0 CEADMP CC(C)C[C@@H](N)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000873219430 649595098 /nfs/dbraw/zinc/59/50/98/649595098.db2.gz HFFAGDJJSUCHGU-WLYUNCDWSA-N 2 1 255.450 2.212 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC[NH2+]1 ZINC000873222873 649596858 /nfs/dbraw/zinc/59/68/58/649596858.db2.gz DEXOYLKWCPBIIY-YCPHGPKFSA-N 3 1 267.461 2.071 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@](CN)(C(C)(C)C)C2)CC[NH2+]1 ZINC000873222873 649596859 /nfs/dbraw/zinc/59/68/59/649596859.db2.gz DEXOYLKWCPBIIY-YCPHGPKFSA-N 2 1 267.461 2.071 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@](CN)(C(C)(C)C)C2)CC[NH2+]1 ZINC000873222873 649596863 /nfs/dbraw/zinc/59/68/63/649596863.db2.gz DEXOYLKWCPBIIY-YCPHGPKFSA-N 2 1 267.461 2.071 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1c[nH]nc1-c1ccccc1)C2 ZINC000873227252 649598690 /nfs/dbraw/zinc/59/86/90/649598690.db2.gz DVDLRZFJUIMKIM-DOTOQJQBSA-N 2 1 282.391 2.118 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C2 ZINC000873227252 649598696 /nfs/dbraw/zinc/59/86/96/649598696.db2.gz DVDLRZFJUIMKIM-DOTOQJQBSA-N 2 1 282.391 2.118 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C/C=C\c1ccc(F)cc1)C2 ZINC000873228576 649599355 /nfs/dbraw/zinc/59/93/55/649599355.db2.gz GSRZUVIUSLUMDE-NVSCJIMHSA-N 2 1 260.356 2.380 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C/C=C\c1ccc(F)cc1)C2 ZINC000873228576 649599358 /nfs/dbraw/zinc/59/93/58/649599358.db2.gz GSRZUVIUSLUMDE-NVSCJIMHSA-N 2 1 260.356 2.380 20 0 CEADMP Cc1nn(C)c2ncc(C[N@@H+](C)CCCCCC[NH3+])cc12 ZINC000873231322 649602418 /nfs/dbraw/zinc/60/24/18/649602418.db2.gz FZMQUECSMDERRJ-UHFFFAOYSA-N 2 1 289.427 2.228 20 0 CEADMP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ncc[nH]1 ZINC000873233931 649603456 /nfs/dbraw/zinc/60/34/56/649603456.db2.gz BPMCYJMTWPZWFA-JSGCOSHPSA-N 2 1 258.369 2.020 20 0 CEADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231813 649603513 /nfs/dbraw/zinc/60/35/13/649603513.db2.gz DRFLSBYRECHEQG-DZGCQCFKSA-N 3 1 267.461 2.343 20 0 CEADMP CC(C)([NH3+])CN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231813 649603516 /nfs/dbraw/zinc/60/35/16/649603516.db2.gz DRFLSBYRECHEQG-DZGCQCFKSA-N 2 1 267.461 2.343 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)C1CC[NH+](C)CC1 ZINC000873235252 649604020 /nfs/dbraw/zinc/60/40/20/649604020.db2.gz MQUDSGDDBWIBPJ-ZFWWWQNUSA-N 3 1 267.461 2.085 20 0 CEADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873236704 649604706 /nfs/dbraw/zinc/60/47/06/649604706.db2.gz IPZBOSRNLWFPJP-LSDHHAIUSA-N 2 1 278.444 2.276 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1c[nH+]ccc1N ZINC000873252372 649609798 /nfs/dbraw/zinc/60/97/98/649609798.db2.gz ONAPIKPNZADRKG-UBHSHLNASA-N 2 1 275.396 2.207 20 0 CEADMP N[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000873262327 649616148 /nfs/dbraw/zinc/61/61/48/649616148.db2.gz WYECVHSIVMEISH-IJNPPISZSA-N 2 1 271.408 2.251 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@@H]1CCC[NH2+]1 ZINC000873281708 649624300 /nfs/dbraw/zinc/62/43/00/649624300.db2.gz PCXOHHOFVHRWQX-YTFOTSKYSA-N 2 1 252.402 2.064 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000878511308 651117208 /nfs/dbraw/zinc/11/72/08/651117208.db2.gz IOTZHIYGWRXERA-FZKCQIBNSA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H](C1CCCCC1)[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878522493 651120296 /nfs/dbraw/zinc/12/02/96/651120296.db2.gz QKYWDAMWVFBXCC-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CC3(CCC3)CO1)C2 ZINC000878663116 651157501 /nfs/dbraw/zinc/15/75/01/651157501.db2.gz VLTKEYSNHHRJGJ-RDJZCZTQSA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H]1CC3(CCC3)CO1)C2 ZINC000878663116 651157502 /nfs/dbraw/zinc/15/75/02/651157502.db2.gz VLTKEYSNHHRJGJ-RDJZCZTQSA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1CC3(CCC3)CO1)C2 ZINC000878663116 651157503 /nfs/dbraw/zinc/15/75/03/651157503.db2.gz VLTKEYSNHHRJGJ-RDJZCZTQSA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(F)n3)C2)CC1 ZINC000878863949 651199900 /nfs/dbraw/zinc/19/99/00/651199900.db2.gz LCFAGBIYZWPPQO-UHFFFAOYSA-N 2 1 263.360 2.138 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2CCC3(CCC3)O2)CCO1 ZINC000879000254 651225790 /nfs/dbraw/zinc/22/57/90/651225790.db2.gz AHCZUMJPNLYVNO-HZPDHXFCSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)O2)CCO1 ZINC000879000254 651225792 /nfs/dbraw/zinc/22/57/92/651225792.db2.gz AHCZUMJPNLYVNO-HZPDHXFCSA-N 2 1 296.455 2.131 20 0 CEADMP C=C/C=C/CC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879126886 651247372 /nfs/dbraw/zinc/24/73/72/651247372.db2.gz OIELAKBDRBKTLG-AATRIKPKSA-N 2 1 266.429 2.409 20 0 CEADMP COCC[N@@H+](CCC(F)(F)F)CC1CC[NH+](C)CC1 ZINC000879125007 651247579 /nfs/dbraw/zinc/24/75/79/651247579.db2.gz MDABTGMIALBKEV-UHFFFAOYSA-N 2 1 282.350 2.229 20 0 CEADMP CO[C@@H]1CC[C@H](C)[NH+](CCC[N@H+]2C[C@H](OC)CC[C@@H]2C)C1 ZINC000879321180 651284889 /nfs/dbraw/zinc/28/48/89/651284889.db2.gz KTPLZJKIHWUUAF-MWDXBVQZSA-N 2 1 298.471 2.375 20 0 CEADMP CO[C@@H]1CC[C@H](C)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000879327601 651287535 /nfs/dbraw/zinc/28/75/35/651287535.db2.gz WYEWEIRJMOFBHS-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCCCn3cccn3)CC[C@@H]21 ZINC000879572372 651324162 /nfs/dbraw/zinc/32/41/62/651324162.db2.gz GQNHVNGDGRTXHF-CVEARBPZSA-N 2 1 276.428 2.079 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCCn3cccn3)CC[C@@H]21 ZINC000879572372 651324163 /nfs/dbraw/zinc/32/41/63/651324163.db2.gz GQNHVNGDGRTXHF-CVEARBPZSA-N 2 1 276.428 2.079 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCCn3cccn3)CC[C@@H]21 ZINC000879572372 651324164 /nfs/dbraw/zinc/32/41/64/651324164.db2.gz GQNHVNGDGRTXHF-CVEARBPZSA-N 2 1 276.428 2.079 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCCn3cccn3)CC[C@@H]21 ZINC000879572372 651324165 /nfs/dbraw/zinc/32/41/65/651324165.db2.gz GQNHVNGDGRTXHF-CVEARBPZSA-N 2 1 276.428 2.079 20 0 CEADMP CCOC(=O)CCCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573034 651324501 /nfs/dbraw/zinc/32/45/01/651324501.db2.gz LALNWWCXJXDUOV-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573034 651324502 /nfs/dbraw/zinc/32/45/02/651324502.db2.gz LALNWWCXJXDUOV-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573034 651324504 /nfs/dbraw/zinc/32/45/04/651324504.db2.gz LALNWWCXJXDUOV-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573034 651324505 /nfs/dbraw/zinc/32/45/05/651324505.db2.gz LALNWWCXJXDUOV-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCOCc3ccccc3)CC[C@H]21 ZINC000879579715 651325651 /nfs/dbraw/zinc/32/56/51/651325651.db2.gz ORPGDHCBQPACBO-DLBZAZTESA-N 2 1 274.408 2.229 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCOCc3ccccc3)CC[C@H]21 ZINC000879579715 651325652 /nfs/dbraw/zinc/32/56/52/651325652.db2.gz ORPGDHCBQPACBO-DLBZAZTESA-N 2 1 274.408 2.229 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCOCc3ccccc3)CC[C@H]21 ZINC000879579715 651325653 /nfs/dbraw/zinc/32/56/53/651325653.db2.gz ORPGDHCBQPACBO-DLBZAZTESA-N 2 1 274.408 2.229 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCOCc3ccccc3)CC[C@H]21 ZINC000879579715 651325654 /nfs/dbraw/zinc/32/56/54/651325654.db2.gz ORPGDHCBQPACBO-DLBZAZTESA-N 2 1 274.408 2.229 20 0 CEADMP CC(C)C[N@@H+](C[C@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000879701796 651341185 /nfs/dbraw/zinc/34/11/85/651341185.db2.gz AUNDCTXDYCCPNI-MRXNPFEDSA-N 2 1 268.445 2.323 20 0 CEADMP COc1cc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)on1 ZINC000879703754 651341531 /nfs/dbraw/zinc/34/15/31/651341531.db2.gz WEGRJBRMYRSWME-UHFFFAOYSA-N 2 1 295.427 2.483 20 0 CEADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000880254561 651410477 /nfs/dbraw/zinc/41/04/77/651410477.db2.gz GQUYTAQVSUJVDR-MRXNPFEDSA-N 2 1 296.455 2.132 20 0 CEADMP Cc1ccnc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC000880258840 651411277 /nfs/dbraw/zinc/41/12/77/651411277.db2.gz CYPGXNKTEVFTLO-HNNXBMFYSA-N 2 1 282.391 2.496 20 0 CEADMP Cc1ccnc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC000880258840 651411278 /nfs/dbraw/zinc/41/12/78/651411278.db2.gz CYPGXNKTEVFTLO-HNNXBMFYSA-N 2 1 282.391 2.496 20 0 CEADMP CC[C@@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)OC ZINC000880258149 651411299 /nfs/dbraw/zinc/41/12/99/651411299.db2.gz DHTBYOXZSJVIST-HIFRSBDPSA-N 2 1 263.385 2.017 20 0 CEADMP C[C@@H]1C[N@@H+](CCOCC2CCC2)CCN1c1cc[nH+]cc1 ZINC000880259680 651411507 /nfs/dbraw/zinc/41/15/07/651411507.db2.gz YYDSAUDLQXASFK-OAHLLOKOSA-N 2 1 289.423 2.409 20 0 CEADMP CCc1nocc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259529 651411774 /nfs/dbraw/zinc/41/17/74/651411774.db2.gz VMGODUKJJLWYMT-ZDUSSCGKSA-N 2 1 286.379 2.343 20 0 CEADMP CCc1nocc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259529 651411775 /nfs/dbraw/zinc/41/17/75/651411775.db2.gz VMGODUKJJLWYMT-ZDUSSCGKSA-N 2 1 286.379 2.343 20 0 CEADMP CC(C)OCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260250 651412259 /nfs/dbraw/zinc/41/22/59/651412259.db2.gz OTOFSLMNJBCDRT-CQSZACIVSA-N 2 1 263.385 2.017 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2CCCCO2)CCN1c1cc[nH+]cc1 ZINC000880260129 651412271 /nfs/dbraw/zinc/41/22/71/651412271.db2.gz BFCAIKWELIIDNV-GOEBONIOSA-N 2 1 275.396 2.161 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)c1ccccc1 ZINC000880371861 651431130 /nfs/dbraw/zinc/43/11/30/651431130.db2.gz PABGNNLFTGGHCO-DLBZAZTESA-N 2 1 276.424 2.310 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)c1ccccc1 ZINC000880371861 651431131 /nfs/dbraw/zinc/43/11/31/651431131.db2.gz PABGNNLFTGGHCO-DLBZAZTESA-N 2 1 276.424 2.310 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)c1ccccc1 ZINC000880371861 651431132 /nfs/dbraw/zinc/43/11/32/651431132.db2.gz PABGNNLFTGGHCO-DLBZAZTESA-N 2 1 276.424 2.310 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(C)c1ccccc1 ZINC000880371861 651431133 /nfs/dbraw/zinc/43/11/33/651431133.db2.gz PABGNNLFTGGHCO-DLBZAZTESA-N 2 1 276.424 2.310 20 0 CEADMP CC[N@@H+](CCCn1ccnc1)[C@@H](CO)c1ccccc1 ZINC000880464270 651445576 /nfs/dbraw/zinc/44/55/76/651445576.db2.gz RJEVEKLCXYSIOE-INIZCTEOSA-N 2 1 273.380 2.329 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CCC(C)([NH+]2CCC2)CC1 ZINC000880472381 651446754 /nfs/dbraw/zinc/44/67/54/651446754.db2.gz LXUZUWRJLDSKDK-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP COC(=O)C(C)(C)CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473566 651447043 /nfs/dbraw/zinc/44/70/43/651447043.db2.gz IMFNISSDFLBBGT-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)[N@@H+](C)CCCNCc1c2c(nn1C)CCSC2 ZINC000882885811 652248556 /nfs/dbraw/zinc/24/85/56/652248556.db2.gz PIGSFHKEDOTJNF-UHFFFAOYSA-N 2 1 296.484 2.029 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883364027 652444819 /nfs/dbraw/zinc/44/48/19/652444819.db2.gz VDOBFJGVTNHTOX-CQSZACIVSA-N 2 1 275.396 2.339 20 0 CEADMP C1OCC12CCC([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000883379684 652449614 /nfs/dbraw/zinc/44/96/14/652449614.db2.gz KRLCRJWWMHMKFG-CABCVRRESA-N 2 1 264.413 2.162 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000883429115 652466535 /nfs/dbraw/zinc/46/65/35/652466535.db2.gz MCUKSBIOAKFASU-KBPBESRZSA-N 2 1 263.385 2.113 20 0 CEADMP CC1(C)C[C@@H](C[NH+]2CCC3(CC[NH2+]3)CC2)C(C)(C)O1 ZINC000883433231 652468453 /nfs/dbraw/zinc/46/84/53/652468453.db2.gz LATLDWMJXCHRNR-ZDUSSCGKSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccns2)C1 ZINC000883438939 652470106 /nfs/dbraw/zinc/47/01/06/652470106.db2.gz FWUADFLRHBUROR-ZDUSSCGKSA-N 2 1 253.415 2.340 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccns2)C1 ZINC000883438939 652470107 /nfs/dbraw/zinc/47/01/07/652470107.db2.gz FWUADFLRHBUROR-ZDUSSCGKSA-N 2 1 253.415 2.340 20 0 CEADMP C[N@@H+](CCCC1CC[NH2+]CC1)C1(CN)CCCCC1 ZINC000883454469 652475454 /nfs/dbraw/zinc/47/54/54/652475454.db2.gz CGVJMDCQOIHDRD-UHFFFAOYSA-N 2 1 267.461 2.360 20 0 CEADMP Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@@H]2CC[NH2+]C2)cn1 ZINC000883462365 652478258 /nfs/dbraw/zinc/47/82/58/652478258.db2.gz PKUHWNLNSMJRKE-YTTRVJOFSA-N 2 1 288.439 2.130 20 0 CEADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000133684059 652704123 /nfs/dbraw/zinc/70/41/23/652704123.db2.gz TYKBUBYZGULADT-STQMWFEESA-N 2 1 278.396 2.497 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884219212 652755957 /nfs/dbraw/zinc/75/59/57/652755957.db2.gz KDYMBSLXBKXQRU-UKRRQHHQSA-N 2 1 295.471 2.131 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])C(C)C)C1 ZINC000884229359 652759802 /nfs/dbraw/zinc/75/98/02/652759802.db2.gz OXFVFLYZBAWKMO-CABCVRRESA-N 2 1 297.487 2.186 20 0 CEADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000884394517 652832491 /nfs/dbraw/zinc/83/24/91/652832491.db2.gz HPOXDQGULUEEPP-ZIAGYGMSSA-N 2 1 297.487 2.233 20 0 CEADMP Cc1ccc2c(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)cc(=O)oc2c1 ZINC000216069625 652966432 /nfs/dbraw/zinc/96/64/32/652966432.db2.gz KRNDHBUOCZACKE-STQMWFEESA-N 2 1 286.375 2.271 20 0 CEADMP Cc1cc2[nH]ccc2c(N2C[C@H](C)[N@H+](C)C[C@H]2C)[nH+]1 ZINC001164633688 719209331 /nfs/dbraw/zinc/20/93/31/719209331.db2.gz FEVOGNZGPSBYFJ-NWDGAFQWSA-N 2 1 258.369 2.400 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3OC)C[C@H]2C1 ZINC001203438368 805663256 /nfs/dbraw/zinc/66/32/56/805663256.db2.gz BLWZJWUBJJWWLT-HZPDHXFCSA-N 2 1 274.408 2.469 20 0 CEADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)C(C)(F)F ZINC000696586415 805671359 /nfs/dbraw/zinc/67/13/59/805671359.db2.gz LXOQEVMQWCFEJB-GHMZBOCLSA-N 2 1 264.360 2.024 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087567641 805751928 /nfs/dbraw/zinc/75/19/28/805751928.db2.gz ZIMXVUZNXMUMHO-XHSDSOJGSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087567641 805751934 /nfs/dbraw/zinc/75/19/34/805751934.db2.gz ZIMXVUZNXMUMHO-XHSDSOJGSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087567641 805751939 /nfs/dbraw/zinc/75/19/39/805751939.db2.gz ZIMXVUZNXMUMHO-XHSDSOJGSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@@H]1C[C@@H](N2CC(CO)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168051376 805932619 /nfs/dbraw/zinc/93/26/19/805932619.db2.gz IAVCLXOLAAPVNN-JLVBRIDZSA-N 2 1 288.435 2.352 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2CC(CO)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168051376 805932635 /nfs/dbraw/zinc/93/26/35/805932635.db2.gz IAVCLXOLAAPVNN-JLVBRIDZSA-N 2 1 288.435 2.352 20 0 CEADMP CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001088312254 806109112 /nfs/dbraw/zinc/10/91/12/806109112.db2.gz SDUSWUPFUWZKHH-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C2 ZINC001168242962 806435410 /nfs/dbraw/zinc/43/54/10/806435410.db2.gz FSCIUYKHZIQOQS-JKSUJKDBSA-N 2 1 274.408 2.236 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)CCc2ccccn2)CC1 ZINC001168314310 806647223 /nfs/dbraw/zinc/64/72/23/806647223.db2.gz CZHOIGXKNHIRRK-UHFFFAOYSA-N 2 1 261.413 2.429 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](CCO)Cc2ccccc2)CC1 ZINC001168316531 806649050 /nfs/dbraw/zinc/64/90/50/806649050.db2.gz ZMMCWJRFUKWNBY-UHFFFAOYSA-N 2 1 276.424 2.354 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC001168322733 806653236 /nfs/dbraw/zinc/65/32/36/806653236.db2.gz GJHSNYRBXDYKIO-VMBOVVBDSA-N 2 1 289.423 2.408 20 0 CEADMP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168329683 806659822 /nfs/dbraw/zinc/65/98/22/806659822.db2.gz ZGUHBBOHTMSHEK-PPWQZUPISA-N 2 1 284.444 2.379 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@@H](C)[NH+](C)C)o1 ZINC000697839588 806703171 /nfs/dbraw/zinc/70/31/71/806703171.db2.gz UBHSDKPRBDPPSU-LLVKDONJSA-N 2 1 276.384 2.408 20 0 CEADMP CCC(CC)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101036232 806704266 /nfs/dbraw/zinc/70/42/66/806704266.db2.gz LKWHYLRBNNRPRK-UHFFFAOYSA-N 2 1 297.487 2.247 20 0 CEADMP CC(C)=CC[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC001168369338 806914037 /nfs/dbraw/zinc/91/40/37/806914037.db2.gz PILNEUWNBVLNQO-UHFFFAOYSA-N 2 1 292.427 2.034 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000348329727 806961105 /nfs/dbraw/zinc/96/11/05/806961105.db2.gz RGBAUYGVBVRAGC-JKQORVJESA-N 2 1 276.424 2.398 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000348329727 806961108 /nfs/dbraw/zinc/96/11/08/806961108.db2.gz RGBAUYGVBVRAGC-JKQORVJESA-N 2 1 276.424 2.398 20 0 CEADMP C[N@H+](CCc1ccccn1)C1CC[NH+](CC2CC2)CC1 ZINC001168372398 806965818 /nfs/dbraw/zinc/96/58/18/806965818.db2.gz WJVWNVNZACYTTI-UHFFFAOYSA-N 2 1 273.424 2.430 20 0 CEADMP C[N@@H+](CCc1ccccn1)C1CC[NH+](CC2CC2)CC1 ZINC001168372398 806965824 /nfs/dbraw/zinc/96/58/24/806965824.db2.gz WJVWNVNZACYTTI-UHFFFAOYSA-N 2 1 273.424 2.430 20 0 CEADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001266246641 802315672 /nfs/dbraw/zinc/31/56/72/802315672.db2.gz UBYFFLBYQQPPQX-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266246641 802315682 /nfs/dbraw/zinc/31/56/82/802315682.db2.gz UBYFFLBYQQPPQX-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266246641 802315690 /nfs/dbraw/zinc/31/56/90/802315690.db2.gz UBYFFLBYQQPPQX-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)CC[C@]1(C)O ZINC001208108342 802341625 /nfs/dbraw/zinc/34/16/25/802341625.db2.gz TVKQLXQUWCHPTD-HOCLYGCPSA-N 2 1 268.445 2.201 20 0 CEADMP CO[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)[C@H](C)C1 ZINC001208115744 802342441 /nfs/dbraw/zinc/34/24/41/802342441.db2.gz MHFLTBVYNDCMHG-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP OC[C@@]1(F)CCC[N@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168374147 806979524 /nfs/dbraw/zinc/97/95/24/806979524.db2.gz WSGUYNCICSUTAI-MRXNPFEDSA-N 2 1 284.419 2.047 20 0 CEADMP CC[NH+]1CCC(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC001208595133 802387095 /nfs/dbraw/zinc/38/70/95/802387095.db2.gz PXFJTLQEECIHEW-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@H]2Cc2ccccn2)C1 ZINC001208608314 802388097 /nfs/dbraw/zinc/38/80/97/802388097.db2.gz GXFNWKSHGOWYEF-RDJZCZTQSA-N 2 1 273.424 2.430 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]2Cc2ccccn2)C1 ZINC001208608314 802388107 /nfs/dbraw/zinc/38/81/07/802388107.db2.gz GXFNWKSHGOWYEF-RDJZCZTQSA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]2Cc2ccccn2)C1 ZINC001208608314 802388117 /nfs/dbraw/zinc/38/81/17/802388117.db2.gz GXFNWKSHGOWYEF-RDJZCZTQSA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H]2Cc2ccccn2)C1 ZINC001208608314 802388127 /nfs/dbraw/zinc/38/81/27/802388127.db2.gz GXFNWKSHGOWYEF-RDJZCZTQSA-N 2 1 273.424 2.430 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(Oc3ccncc3)CC2)C1 ZINC001208606421 802389083 /nfs/dbraw/zinc/38/90/83/802389083.db2.gz FTOPVNKYHDWSOR-OAHLLOKOSA-N 2 1 289.423 2.267 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)[C@H](C)O)CC1 ZINC001167078933 802401258 /nfs/dbraw/zinc/40/12/58/802401258.db2.gz YLAQTNOIAWMPNP-KBPBESRZSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H](CCC(=O)OC)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001208786663 802414545 /nfs/dbraw/zinc/41/45/45/802414545.db2.gz SCIVWXQZBXUZQI-OAHLLOKOSA-N 2 1 296.455 2.384 20 0 CEADMP CCCCCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266339214 802459789 /nfs/dbraw/zinc/45/97/89/802459789.db2.gz LSPBNXQRZGVOSX-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCNC(=O)OC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC001209453145 802533681 /nfs/dbraw/zinc/53/36/81/802533681.db2.gz ZCVYFUMKTUHZAS-UHFFFAOYSA-N 2 1 297.443 2.073 20 0 CEADMP CC(C)=CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001266467996 802616527 /nfs/dbraw/zinc/61/65/27/802616527.db2.gz HSCAZERFISSVIW-INIZCTEOSA-N 2 1 293.455 2.018 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc2c1OCC2 ZINC000693152804 802680433 /nfs/dbraw/zinc/68/04/33/802680433.db2.gz MIOLGPGRUATPNI-UHFFFAOYSA-N 2 1 262.397 2.299 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cnc4ccccn34)C2)CC1 ZINC001203154722 802708071 /nfs/dbraw/zinc/70/80/71/802708071.db2.gz GKWCVSDGBZDKGZ-UHFFFAOYSA-N 2 1 284.407 2.252 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1=CCCCC1 ZINC001127066595 807002862 /nfs/dbraw/zinc/00/28/62/807002862.db2.gz QLTZWLRAKRZEPN-INIZCTEOSA-N 2 1 293.455 2.065 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000723647619 802916578 /nfs/dbraw/zinc/91/65/78/802916578.db2.gz RNKBJTAKOUSYCH-KGLIPLIRSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000723647619 802916580 /nfs/dbraw/zinc/91/65/80/802916580.db2.gz RNKBJTAKOUSYCH-KGLIPLIRSA-N 2 1 263.385 2.255 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2C(C)(C)C)C[C@H]1CC[NH3+] ZINC000723888092 802964401 /nfs/dbraw/zinc/96/44/01/802964401.db2.gz VCEAPDPTLCYPBI-CHWSQXEVSA-N 2 1 278.444 2.134 20 0 CEADMP C[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1CC[NH3+] ZINC000723890495 802965248 /nfs/dbraw/zinc/96/52/48/802965248.db2.gz HLPYHHKAWFFCQA-HUUCEWRRSA-N 2 1 262.397 2.372 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cn2)C[C@H]1CC[NH3+] ZINC000723901590 802965570 /nfs/dbraw/zinc/96/55/70/802965570.db2.gz RLAXQTZDUOJFHW-GHMZBOCLSA-N 2 1 298.228 2.261 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccncc2Br)C[C@H]1CC[NH3+] ZINC000723894021 802965857 /nfs/dbraw/zinc/96/58/57/802965857.db2.gz IRXBCGLMWCFNPO-GHMZBOCLSA-N 2 1 298.228 2.261 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000723907939 802966343 /nfs/dbraw/zinc/96/63/43/802966343.db2.gz FIQFWWNARMYBSZ-CHWSQXEVSA-N 2 1 278.396 2.121 20 0 CEADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)[C@@H]1CCCOC1 ZINC000723971068 802980030 /nfs/dbraw/zinc/98/00/30/802980030.db2.gz ZYSIZCDOALJGTN-CABCVRRESA-N 2 1 265.401 2.376 20 0 CEADMP CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001087176700 802987132 /nfs/dbraw/zinc/98/71/32/802987132.db2.gz LHAWYCUMTRTJTA-PMPSAXMXSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132278956 812820799 /nfs/dbraw/zinc/82/07/99/812820799.db2.gz SYQKPNSLEUXYNO-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP FC(F)(F)[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCS1 ZINC000721486673 803029076 /nfs/dbraw/zinc/02/90/76/803029076.db2.gz NPKSTPCISWUQDA-MNOVXSKESA-N 2 1 282.375 2.356 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CC2)C1 ZINC001132437668 812852596 /nfs/dbraw/zinc/85/25/96/812852596.db2.gz WZFFHOJAOIIGIL-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CC2)C1 ZINC001132437668 812852603 /nfs/dbraw/zinc/85/26/03/812852603.db2.gz WZFFHOJAOIIGIL-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CC2)C1 ZINC001132437668 812852606 /nfs/dbraw/zinc/85/26/06/812852606.db2.gz WZFFHOJAOIIGIL-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001207285417 803131430 /nfs/dbraw/zinc/13/14/30/803131430.db2.gz JVJGFNXGZZWONP-OAHLLOKOSA-N 2 1 261.413 2.459 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC=C(C)C)CC[N@H+]1C ZINC001267129982 803151885 /nfs/dbraw/zinc/15/18/85/803151885.db2.gz ZCERGZKIPZMUJX-HRCADAONSA-N 2 1 295.471 2.167 20 0 CEADMP Cc1ccc(C)c(C[N@@H+](C)C2(C[NH3+])CCOCC2)c1 ZINC000725055765 803413759 /nfs/dbraw/zinc/41/37/59/803413759.db2.gz MKQRUIAAJJAANJ-UHFFFAOYSA-N 2 1 262.397 2.243 20 0 CEADMP Cc1ccc(C)c(C[N@H+](C)C2(C[NH3+])CCOCC2)c1 ZINC000725055765 803413764 /nfs/dbraw/zinc/41/37/64/803413764.db2.gz MKQRUIAAJJAANJ-UHFFFAOYSA-N 2 1 262.397 2.243 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CCO)C1CCCC1 ZINC000725096547 803426534 /nfs/dbraw/zinc/42/65/34/803426534.db2.gz SNQIEHMLDCRTMR-HNNXBMFYSA-N 2 1 265.401 2.112 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)CCO1 ZINC001117752044 814943817 /nfs/dbraw/zinc/94/38/17/814943817.db2.gz VHIBKKMWECZGQE-KBUPBQIOSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@H]1C[NH3+] ZINC000708854668 803570469 /nfs/dbraw/zinc/57/04/69/803570469.db2.gz PEIPKVIIHUJIEU-GXTWGEPZSA-N 2 1 255.365 2.261 20 0 CEADMP C[N@H+](Cc1ccn2ccnc2c1)CC1CC[NH+](C)CC1 ZINC001141044847 803682613 /nfs/dbraw/zinc/68/26/13/803682613.db2.gz ZXZWGWZTNXIRAN-UHFFFAOYSA-N 2 1 272.396 2.108 20 0 CEADMP COc1ccc(CC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001207469583 803702225 /nfs/dbraw/zinc/70/22/25/803702225.db2.gz MYYMVHIQOJRLKJ-UHFFFAOYSA-N 2 1 250.386 2.121 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)CC[C@H]1[NH3+] ZINC000715483536 814960126 /nfs/dbraw/zinc/96/01/26/814960126.db2.gz RGJAVTGAQRHPKY-FAAHXZRKSA-N 2 1 252.402 2.003 20 0 CEADMP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001267790531 803734771 /nfs/dbraw/zinc/73/47/71/803734771.db2.gz QIAZEFUHKVCRAM-MRXNPFEDSA-N 2 1 297.487 2.297 20 0 CEADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)CC1 ZINC001207481434 803770305 /nfs/dbraw/zinc/77/03/05/803770305.db2.gz GQCIVSRBXUYJHB-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000715563574 814980275 /nfs/dbraw/zinc/98/02/75/814980275.db2.gz WOLKACIYLVJPQU-CQJMVSDSSA-N 3 1 279.472 2.225 20 0 CEADMP C[NH+](C)C1(C)CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000715575063 814980497 /nfs/dbraw/zinc/98/04/97/814980497.db2.gz WHJGBHFJRQHWNX-YZUHTNEWSA-N 3 1 279.472 2.466 20 0 CEADMP Fc1cccc2c1SCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551576 804040702 /nfs/dbraw/zinc/04/07/02/804040702.db2.gz JTMCWGIHZRUQFK-GFCCVEGCSA-N 2 1 252.358 2.172 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCc3[nH]ncc32)CC1 ZINC000335944510 804116229 /nfs/dbraw/zinc/11/62/29/804116229.db2.gz LAHDOFIARZQCCT-ZDUSSCGKSA-N 2 1 262.401 2.109 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577241 804133438 /nfs/dbraw/zinc/13/34/38/804133438.db2.gz HBMUNAARHLGSGP-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027577241 804133442 /nfs/dbraw/zinc/13/34/42/804133442.db2.gz HBMUNAARHLGSGP-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001027577241 804133444 /nfs/dbraw/zinc/13/34/44/804133444.db2.gz HBMUNAARHLGSGP-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027604636 804149195 /nfs/dbraw/zinc/14/91/95/804149195.db2.gz ROARYZVPOBKOIF-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001027628747 804164906 /nfs/dbraw/zinc/16/49/06/804164906.db2.gz JTRMQNWSKGADLQ-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)[C@@H]1CCCC[NH2+]1 ZINC000722389864 804413124 /nfs/dbraw/zinc/41/31/24/804413124.db2.gz RBLUQVIQIQSEJG-BJDJZHNGSA-N 2 1 280.334 2.217 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC2(CN(C)C2)C1 ZINC001167841040 804441763 /nfs/dbraw/zinc/44/17/63/804441763.db2.gz JRAHYFGHWZBZMT-HNNXBMFYSA-N 2 1 267.461 2.134 20 0 CEADMP CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001268179346 804528963 /nfs/dbraw/zinc/52/89/63/804528963.db2.gz ODNZKVWNFLYXRT-HOTGVXAUSA-N 2 1 297.487 2.345 20 0 CEADMP CC[N@@H+](C)CCC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001268201355 804538368 /nfs/dbraw/zinc/53/83/68/804538368.db2.gz KLIJMKMFLPGRIY-UHFFFAOYSA-N 2 1 297.487 2.299 20 0 CEADMP CC(C)(C)OC(=O)C1([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CCC([NH3+])CC1 ZINC001167899380 804597659 /nfs/dbraw/zinc/59/76/59/804597659.db2.gz ZQEWMCMPMVAHSO-FNGWIJDCSA-N 2 1 294.439 2.356 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H](O)CC1CCCC1 ZINC000300072967 804617932 /nfs/dbraw/zinc/61/79/32/804617932.db2.gz YGPDNOBIWXYHGF-LSDHHAIUSA-N 2 1 254.418 2.131 20 0 CEADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207684930 804666813 /nfs/dbraw/zinc/66/68/13/804666813.db2.gz VQUOOCXUUNDFRC-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCN(CC[NH2+]CCC(C)(C)C)C(=O)C[N@@H+](C)C(C)C ZINC001268500287 804769887 /nfs/dbraw/zinc/76/98/87/804769887.db2.gz VLLDYTNVCABZAG-UHFFFAOYSA-N 2 1 285.476 2.201 20 0 CEADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001284133734 804800094 /nfs/dbraw/zinc/80/00/94/804800094.db2.gz ZTBMSKIIXOTUPL-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)O[C@@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387418 807042299 /nfs/dbraw/zinc/04/22/99/807042299.db2.gz HXYGDOMUENWSBM-MRXNPFEDSA-N 2 1 266.429 2.360 20 0 CEADMP CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001269408338 805155537 /nfs/dbraw/zinc/15/55/37/805155537.db2.gz NLQSFMBJYLJGMG-QLFBSQMISA-N 2 1 283.460 2.001 20 0 CEADMP CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001270421764 805433449 /nfs/dbraw/zinc/43/34/49/805433449.db2.gz HYEFSXHUUQFYJL-HOTGVXAUSA-N 2 1 295.471 2.145 20 0 CEADMP O[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964179 805445033 /nfs/dbraw/zinc/44/50/33/805445033.db2.gz NIYYJXHPNRFBNL-VEDBGLOESA-N 2 1 278.440 2.285 20 0 CEADMP COC[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167985741 805543301 /nfs/dbraw/zinc/54/33/01/805543301.db2.gz ZKECEQNGQZJEJS-VPSFDDGASA-N 2 1 278.440 2.360 20 0 CEADMP COC[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167985741 805543304 /nfs/dbraw/zinc/54/33/04/805543304.db2.gz ZKECEQNGQZJEJS-VPSFDDGASA-N 2 1 278.440 2.360 20 0 CEADMP COC[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167985741 805543308 /nfs/dbraw/zinc/54/33/08/805543308.db2.gz ZKECEQNGQZJEJS-VPSFDDGASA-N 2 1 278.440 2.360 20 0 CEADMP CC(C)CC[NH+]1CC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030444985 807191130 /nfs/dbraw/zinc/19/11/30/807191130.db2.gz RAXUVNPISWHUMR-MRXNPFEDSA-N 2 1 295.471 2.096 20 0 CEADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110156926 815103601 /nfs/dbraw/zinc/10/36/01/815103601.db2.gz GJFVHDXZWDYLSR-PMPSAXMXSA-N 2 1 295.471 2.238 20 0 CEADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110156926 815103603 /nfs/dbraw/zinc/10/36/03/815103603.db2.gz GJFVHDXZWDYLSR-PMPSAXMXSA-N 2 1 295.471 2.238 20 0 CEADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110156926 815103607 /nfs/dbraw/zinc/10/36/07/815103607.db2.gz GJFVHDXZWDYLSR-PMPSAXMXSA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110157292 815105203 /nfs/dbraw/zinc/10/52/03/815105203.db2.gz NQLWMBCYTRSLST-FZKCQIBNSA-N 2 1 295.471 2.094 20 0 CEADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110157292 815105209 /nfs/dbraw/zinc/10/52/09/815105209.db2.gz NQLWMBCYTRSLST-FZKCQIBNSA-N 2 1 295.471 2.094 20 0 CEADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110157292 815105212 /nfs/dbraw/zinc/10/52/12/815105212.db2.gz NQLWMBCYTRSLST-FZKCQIBNSA-N 2 1 295.471 2.094 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000716224735 815108007 /nfs/dbraw/zinc/10/80/07/815108007.db2.gz CMFOWKHRXIHSIV-MFNRNEDNSA-N 2 1 274.408 2.464 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H](C)CO1 ZINC000403764098 807353764 /nfs/dbraw/zinc/35/37/64/807353764.db2.gz PJDNEBRWHDJCGL-XJKSGUPXSA-N 2 1 274.408 2.332 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)[C@@H]1CCC[NH2+]1 ZINC000716600166 815131833 /nfs/dbraw/zinc/13/18/33/815131833.db2.gz GMTLYUNAYSPTER-IHRRRGAJSA-N 2 1 252.402 2.066 20 0 CEADMP CC[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001031050681 807620338 /nfs/dbraw/zinc/62/03/38/807620338.db2.gz UBUJKYLFPXPEPD-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001031050681 807620343 /nfs/dbraw/zinc/62/03/43/807620343.db2.gz UBUJKYLFPXPEPD-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP [NH3+][C@H]1CCC[N@H+](Cc2cc(Cl)cn3ccnc23)CC1 ZINC001205124019 807715800 /nfs/dbraw/zinc/71/58/00/807715800.db2.gz IVTKRXOSIXNAEF-ZDUSSCGKSA-N 2 1 278.787 2.301 20 0 CEADMP [NH3+][C@H]1CCC[N@@H+](Cc2cc(Cl)cn3ccnc23)CC1 ZINC001205124019 807715808 /nfs/dbraw/zinc/71/58/08/807715808.db2.gz IVTKRXOSIXNAEF-ZDUSSCGKSA-N 2 1 278.787 2.301 20 0 CEADMP CC[C@H](C)c1nn(C)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205130468 807734270 /nfs/dbraw/zinc/73/42/70/807734270.db2.gz FEKSUMYJGZIVAM-JSGCOSHPSA-N 2 1 264.417 2.247 20 0 CEADMP C[C@H]1C[N@H+](Cc2cccc(Br)c2N)C[C@H]1C[NH3+] ZINC001205146119 807821498 /nfs/dbraw/zinc/82/14/98/807821498.db2.gz PEMADFDODDLQDC-GXSJLCMTSA-N 2 1 298.228 2.058 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(Br)c2N)C[C@H]1C[NH3+] ZINC001205146119 807821503 /nfs/dbraw/zinc/82/15/03/807821503.db2.gz PEMADFDODDLQDC-GXSJLCMTSA-N 2 1 298.228 2.058 20 0 CEADMP CCOc1ccc(C[N@@H+](C)CCC[NH3+])cc1CC ZINC001235435528 807829051 /nfs/dbraw/zinc/82/90/51/807829051.db2.gz NJLXBAYQKUSMKK-UHFFFAOYSA-N 2 1 250.386 2.428 20 0 CEADMP C[N@@H+](CCC[NH2+]C1CCCCC1)CC1CC[NH2+]CC1 ZINC001235433581 807829108 /nfs/dbraw/zinc/82/91/08/807829108.db2.gz CKWRZGQXNGBIBL-UHFFFAOYSA-N 3 1 267.461 2.230 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171465385 815173594 /nfs/dbraw/zinc/17/35/94/815173594.db2.gz ICRCZPWBDUCKGS-GXFFZTMASA-N 2 1 268.351 2.349 20 0 CEADMP CCC/C=C\CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127701150 808203282 /nfs/dbraw/zinc/20/32/82/808203282.db2.gz KNVQPSZBYGMCGH-YVDRWBGASA-N 2 1 295.471 2.169 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@]2(C)Br)C1 ZINC001120025587 815189754 /nfs/dbraw/zinc/18/97/54/815189754.db2.gz FIHZYFLAVZBCJC-AGIUHOORSA-N 2 1 289.261 2.481 20 0 CEADMP Cc1cnc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC001238442111 808371616 /nfs/dbraw/zinc/37/16/16/808371616.db2.gz SDXLVYGLVQMSSN-INIZCTEOSA-N 2 1 259.397 2.226 20 0 CEADMP Cc1cnc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC001238442111 808371621 /nfs/dbraw/zinc/37/16/21/808371621.db2.gz SDXLVYGLVQMSSN-INIZCTEOSA-N 2 1 259.397 2.226 20 0 CEADMP Cc1cnc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC001238442111 808371628 /nfs/dbraw/zinc/37/16/28/808371628.db2.gz SDXLVYGLVQMSSN-INIZCTEOSA-N 2 1 259.397 2.226 20 0 CEADMP Cc1cnc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC001238442111 808371636 /nfs/dbraw/zinc/37/16/36/808371636.db2.gz SDXLVYGLVQMSSN-INIZCTEOSA-N 2 1 259.397 2.226 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@H](CO)C[C@H](F)C2)CC1(C)C ZINC001171630758 815201910 /nfs/dbraw/zinc/20/19/10/815201910.db2.gz AXOPLHWCUVADMW-OLZOCXBDSA-N 2 1 286.435 2.290 20 0 CEADMP C[NH+]1C(C)(C)CC([N@@H+]2C[C@H](CO)C[C@H](F)C2)CC1(C)C ZINC001171630758 815201911 /nfs/dbraw/zinc/20/19/11/815201911.db2.gz AXOPLHWCUVADMW-OLZOCXBDSA-N 2 1 286.435 2.290 20 0 CEADMP C[C@]1(C[NH2+]CC2(O)CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000691302449 808427752 /nfs/dbraw/zinc/42/77/52/808427752.db2.gz CLWHNAHMRZDLJW-QGZVFWFLSA-N 2 1 288.435 2.403 20 0 CEADMP CC/C=C\CC[NH2+]CCCNC(=O)CC[N@H+](C)CCC ZINC001171726213 815218506 /nfs/dbraw/zinc/21/85/06/815218506.db2.gz YLYRDUSCMZGZAS-SREVYHEPSA-N 2 1 283.460 2.171 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC001205211819 808572360 /nfs/dbraw/zinc/57/23/60/808572360.db2.gz WGXKRZGHUZQWAJ-CQSZACIVSA-N 2 1 286.778 2.155 20 0 CEADMP COc1ccc([C@H]2C[C@@H]([NH2+]C(C)(C)C[NH3+])CCO2)cc1 ZINC001168583130 808669124 /nfs/dbraw/zinc/66/91/24/808669124.db2.gz INEZZUUMHAPMBK-DZGCQCFKSA-N 2 1 278.396 2.242 20 0 CEADMP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001032520715 808679193 /nfs/dbraw/zinc/67/91/93/808679193.db2.gz CMOOYLIVVHSFSA-HOTGVXAUSA-N 2 1 298.390 2.033 20 0 CEADMP CC(C)(C)[NH2+]CCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000693019315 808748024 /nfs/dbraw/zinc/74/80/24/808748024.db2.gz ITTHZDAXBBROKS-ZDUSSCGKSA-N 2 1 283.460 2.001 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001205033762 808848638 /nfs/dbraw/zinc/84/86/38/808848638.db2.gz RJANPUUUMKASHO-UHFFFAOYSA-N 2 1 278.787 2.387 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)CC(F)(F)F)[C@@H]1CCC[NH3+] ZINC000693488650 808859524 /nfs/dbraw/zinc/85/95/24/808859524.db2.gz RAWLIYZERCNMBH-GRYCIOLGSA-N 2 1 282.350 2.139 20 0 CEADMP CC(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001272954207 808995326 /nfs/dbraw/zinc/99/53/26/808995326.db2.gz IAYQEFCMCBNAIE-CABCVRRESA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320994 809267401 /nfs/dbraw/zinc/26/74/01/809267401.db2.gz ZBHYWMORGIKTCP-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000700827881 809359302 /nfs/dbraw/zinc/35/93/02/809359302.db2.gz ZSJUKFHXFMQKCN-AGIUHOORSA-N 2 1 294.361 2.418 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCC[NH+]1CCCC1)C2 ZINC001172100210 815284495 /nfs/dbraw/zinc/28/44/95/815284495.db2.gz BDTYKSVSNMDTHE-BJWYYQGGSA-N 3 1 279.472 2.467 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCC[NH+]1CCCC1)C2 ZINC001172100210 815284500 /nfs/dbraw/zinc/28/45/00/815284500.db2.gz BDTYKSVSNMDTHE-BJWYYQGGSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@H](C[NH+]1CCCC1)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100180 815284775 /nfs/dbraw/zinc/28/47/75/815284775.db2.gz APFWTYFUIXODTJ-FPCVCCKLSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H](CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000701570595 809444613 /nfs/dbraw/zinc/44/46/13/809444613.db2.gz XMGASPKTPBLSAF-MJBXVCDLSA-N 2 1 299.459 2.362 20 0 CEADMP CCC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)COC1 ZINC001172107875 815296885 /nfs/dbraw/zinc/29/68/85/815296885.db2.gz LCQVIEQGTLMHEE-BTTYYORXSA-N 2 1 252.402 2.018 20 0 CEADMP O[C@@]1(C[NH2+]CCC2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000702563148 809566679 /nfs/dbraw/zinc/56/66/79/809566679.db2.gz OZQFNENSZZKXMV-GOSISDBHSA-N 2 1 288.435 2.403 20 0 CEADMP O[C@@]1(C[NH2+]CCC2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000702563148 809566682 /nfs/dbraw/zinc/56/66/82/809566682.db2.gz OZQFNENSZZKXMV-GOSISDBHSA-N 2 1 288.435 2.403 20 0 CEADMP CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)N(C)C ZINC001172110410 815300980 /nfs/dbraw/zinc/30/09/80/815300980.db2.gz MNESIWBDJLKIMA-JONQDZQNSA-N 2 1 295.471 2.094 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3c(c1)C(=O)NC3)C2 ZINC001172111489 815301440 /nfs/dbraw/zinc/30/14/40/815301440.db2.gz RQPZPBQTNJPVOO-PHZGNYQRSA-N 2 1 299.418 2.035 20 0 CEADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc(Cl)cc(N)[nH+]1 ZINC001162452086 809604870 /nfs/dbraw/zinc/60/48/70/809604870.db2.gz AMCDRRWOEOMVKW-ZJUUUORDSA-N 2 1 268.792 2.365 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCO[C@@H]1CCCCO1)C2 ZINC001172113746 815303199 /nfs/dbraw/zinc/30/31/99/815303199.db2.gz JZLIJGOJANAUMN-QKPAOTATSA-N 2 1 282.428 2.135 20 0 CEADMP C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1CO ZINC001172116900 815304879 /nfs/dbraw/zinc/30/48/79/815304879.db2.gz DSPAAGCDSXZOKZ-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1CO ZINC001172116900 815304886 /nfs/dbraw/zinc/30/48/86/815304886.db2.gz DSPAAGCDSXZOKZ-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1CO ZINC001172116900 815304890 /nfs/dbraw/zinc/30/48/90/815304890.db2.gz DSPAAGCDSXZOKZ-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1CO ZINC001172116900 815304896 /nfs/dbraw/zinc/30/48/96/815304896.db2.gz DSPAAGCDSXZOKZ-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP CCCc1cc(C[NH3+])nn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172117484 815305937 /nfs/dbraw/zinc/30/59/37/815305937.db2.gz MADNGMHXFJALKK-FOLVSLTJSA-N 2 1 276.428 2.482 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC)CC2)C1 ZINC001034711946 809673397 /nfs/dbraw/zinc/67/33/97/809673397.db2.gz MGEALSJOAWBCQL-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@@]1(C)O ZINC001172120057 815310386 /nfs/dbraw/zinc/31/03/86/815310386.db2.gz JJZWIIPMLPTYAO-NQNKBUKLSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@@]1(C)O ZINC001172120057 815310394 /nfs/dbraw/zinc/31/03/94/815310394.db2.gz JJZWIIPMLPTYAO-NQNKBUKLSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[C@@]1(C)O ZINC001172120057 815310401 /nfs/dbraw/zinc/31/04/01/815310401.db2.gz JJZWIIPMLPTYAO-NQNKBUKLSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[C@@]1(C)O ZINC001172120057 815310407 /nfs/dbraw/zinc/31/04/07/815310407.db2.gz JJZWIIPMLPTYAO-NQNKBUKLSA-N 2 1 280.456 2.485 20 0 CEADMP COCC[N@H+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121951 815312205 /nfs/dbraw/zinc/31/22/05/815312205.db2.gz NWDBHGREBBRVJW-QDMKHBRRSA-N 2 1 254.418 2.359 20 0 CEADMP COCC[N@@H+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121951 815312212 /nfs/dbraw/zinc/31/22/12/815312212.db2.gz NWDBHGREBBRVJW-QDMKHBRRSA-N 2 1 254.418 2.359 20 0 CEADMP COCC[NH+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121951 815312219 /nfs/dbraw/zinc/31/22/19/815312219.db2.gz NWDBHGREBBRVJW-QDMKHBRRSA-N 2 1 254.418 2.359 20 0 CEADMP COCC[NH+](C(C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121951 815312226 /nfs/dbraw/zinc/31/22/26/815312226.db2.gz NWDBHGREBBRVJW-QDMKHBRRSA-N 2 1 254.418 2.359 20 0 CEADMP CN(Cc1cc2c(s1)CC[NH2+]C2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705144060 809770423 /nfs/dbraw/zinc/77/04/23/809770423.db2.gz ABGFZJNMVCBFEK-CYBMUJFWSA-N 2 1 293.480 2.167 20 0 CEADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@@H]1CCC[NH+](C)C1 ZINC000705144060 809770429 /nfs/dbraw/zinc/77/04/29/809770429.db2.gz ABGFZJNMVCBFEK-CYBMUJFWSA-N 3 1 293.480 2.167 20 0 CEADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@@H]1CCC[NH+](C)C1 ZINC000705144060 809770433 /nfs/dbraw/zinc/77/04/33/809770433.db2.gz ABGFZJNMVCBFEK-CYBMUJFWSA-N 3 1 293.480 2.167 20 0 CEADMP C[NH+](Cc1cc2c(s1)CC[NH2+]C2)C[C@@H]1CCC[N@H+](C)C1 ZINC000705144060 809770438 /nfs/dbraw/zinc/77/04/38/809770438.db2.gz ABGFZJNMVCBFEK-CYBMUJFWSA-N 3 1 293.480 2.167 20 0 CEADMP C[NH+](Cc1cc2c(s1)CC[NH2+]C2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705144060 809770440 /nfs/dbraw/zinc/77/04/40/809770440.db2.gz ABGFZJNMVCBFEK-CYBMUJFWSA-N 3 1 293.480 2.167 20 0 CEADMP CCC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OCC ZINC000705370966 809780030 /nfs/dbraw/zinc/78/00/30/809780030.db2.gz UCCUQAMRHQQIRP-DKUMPPAJSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705928832 809793223 /nfs/dbraw/zinc/79/32/23/809793223.db2.gz UWNDWERYLADUED-NXHRZFHOSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705928832 809793225 /nfs/dbraw/zinc/79/32/25/809793225.db2.gz UWNDWERYLADUED-NXHRZFHOSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705928832 809793226 /nfs/dbraw/zinc/79/32/26/809793226.db2.gz UWNDWERYLADUED-NXHRZFHOSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H](O)C[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705928832 809793228 /nfs/dbraw/zinc/79/32/28/809793228.db2.gz UWNDWERYLADUED-NXHRZFHOSA-N 2 1 288.435 2.211 20 0 CEADMP CC1(C)CO[C@H](C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000708340540 809927452 /nfs/dbraw/zinc/92/74/52/809927452.db2.gz KDSKSTBXSKOJQA-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000708340540 809927454 /nfs/dbraw/zinc/92/74/54/809927454.db2.gz KDSKSTBXSKOJQA-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000708368641 809927563 /nfs/dbraw/zinc/92/75/63/809927563.db2.gz RNRAZIZLUZWASG-SRVKXCTJSA-N 2 1 294.361 2.261 20 0 CEADMP [NH3+][C@H]1CCCCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000708991352 809939605 /nfs/dbraw/zinc/93/96/05/809939605.db2.gz BSHSMOPPLMZFJO-LSDHHAIUSA-N 2 1 254.418 2.131 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000708991352 809939610 /nfs/dbraw/zinc/93/96/10/809939610.db2.gz BSHSMOPPLMZFJO-LSDHHAIUSA-N 2 1 254.418 2.131 20 0 CEADMP C[N@@H+](C[C@H]1CC(C)(C)OC1(C)C)CC(C)(C)C[NH3+] ZINC000709703399 809953946 /nfs/dbraw/zinc/95/39/46/809953946.db2.gz SZRUMHHCQRZJFK-GFCCVEGCSA-N 2 1 256.434 2.497 20 0 CEADMP C[C@@]1(C(F)(F)F)CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000709557036 809964498 /nfs/dbraw/zinc/96/44/98/809964498.db2.gz OYOSWACXIILSMN-WDEREUQCSA-N 2 1 250.308 2.260 20 0 CEADMP O[C@@H](CC1CCCC1)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709851141 809972811 /nfs/dbraw/zinc/97/28/11/809972811.db2.gz XODVICVSBBSHJP-HOTGVXAUSA-N 2 1 266.429 2.003 20 0 CEADMP C[C@@H](NC(=O)C[N@@H+](C)CCCCCC[NH3+])c1cccs1 ZINC000710704690 809990410 /nfs/dbraw/zinc/99/04/10/809990410.db2.gz CXVTWOPFTMNIJP-CYBMUJFWSA-N 2 1 297.468 2.376 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000710694804 809990471 /nfs/dbraw/zinc/99/04/71/809990471.db2.gz RBHZVVIOYMNJFV-OAHLLOKOSA-N 2 1 283.460 2.228 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000710738035 809991642 /nfs/dbraw/zinc/99/16/42/809991642.db2.gz PTOKVGMTMXINDQ-LLOCQSJBSA-N 2 1 270.367 2.493 20 0 CEADMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000710832905 809995249 /nfs/dbraw/zinc/99/52/49/809995249.db2.gz IVCCNXCVMIIBJE-CYBMUJFWSA-N 2 1 271.449 2.131 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000710832908 809995425 /nfs/dbraw/zinc/99/54/25/809995425.db2.gz IVCCNXCVMIIBJE-ZDUSSCGKSA-N 2 1 271.449 2.131 20 0 CEADMP c1c(C[N@H+]2CCCSCC2)sc2c1C[NH2+]CC2 ZINC000710882247 809998340 /nfs/dbraw/zinc/99/83/40/809998340.db2.gz NNYCSFAAVRNZAK-UHFFFAOYSA-N 2 1 268.451 2.333 20 0 CEADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)CC1=CCCOC1 ZINC000710888548 809998902 /nfs/dbraw/zinc/99/89/02/809998902.db2.gz HAOBDPGSIDPNPA-UHFFFAOYSA-N 2 1 278.421 2.172 20 0 CEADMP COC1(OC)CC[C@H]1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000711040143 810010800 /nfs/dbraw/zinc/01/08/00/810010800.db2.gz GZCZKATYRYLLQO-GFCCVEGCSA-N 2 1 270.417 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)CC[C@H]1C[NH3+] ZINC000711229103 810049528 /nfs/dbraw/zinc/04/95/28/810049528.db2.gz WJGCSTVKBQFIQU-HZSPNIEDSA-N 2 1 268.445 2.497 20 0 CEADMP CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079687798 810229012 /nfs/dbraw/zinc/22/90/12/810229012.db2.gz WKPMQYPVIDEYDZ-OAGGEKHMSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079687798 810229019 /nfs/dbraw/zinc/22/90/19/810229019.db2.gz WKPMQYPVIDEYDZ-OAGGEKHMSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079687798 810229020 /nfs/dbraw/zinc/22/90/20/810229020.db2.gz WKPMQYPVIDEYDZ-OAGGEKHMSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1c[nH+]c2n1CCC21CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172237187 815353613 /nfs/dbraw/zinc/35/36/13/815353613.db2.gz JUUWNBIOGVRAAB-MQVJKMGUSA-N 2 1 299.418 2.415 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCCC[C@H]2C)CC1 ZINC001172250418 815359318 /nfs/dbraw/zinc/35/93/18/815359318.db2.gz RHUUKMUZKSNPJH-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCCC[C@H]2C)CC1 ZINC001172250418 815359322 /nfs/dbraw/zinc/35/93/22/815359322.db2.gz RHUUKMUZKSNPJH-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206163878 815361594 /nfs/dbraw/zinc/36/15/94/815361594.db2.gz GZLJHPCFHSIWLS-UONOGXRCSA-N 2 1 265.376 2.014 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206163878 815361601 /nfs/dbraw/zinc/36/16/01/815361601.db2.gz GZLJHPCFHSIWLS-UONOGXRCSA-N 2 1 265.376 2.014 20 0 CEADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001015702819 810337031 /nfs/dbraw/zinc/33/70/31/810337031.db2.gz UKCZTBPRXCUCOI-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001015702819 810337036 /nfs/dbraw/zinc/33/70/36/810337036.db2.gz UKCZTBPRXCUCOI-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001015702819 810337041 /nfs/dbraw/zinc/33/70/41/810337041.db2.gz UKCZTBPRXCUCOI-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C)OCC[C@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001172320056 815370512 /nfs/dbraw/zinc/37/05/12/815370512.db2.gz VDGWNTPWGWWJHT-AAEUAGOBSA-N 2 1 253.390 2.459 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001017179248 810495741 /nfs/dbraw/zinc/49/57/41/810495741.db2.gz GUAWERKXGLCHIF-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001018968017 810667871 /nfs/dbraw/zinc/66/78/71/810667871.db2.gz PIPDXYNUTKNSOJ-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC)C1 ZINC001085306695 810721111 /nfs/dbraw/zinc/72/11/11/810721111.db2.gz MQNGZWJMFCSZRW-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP C(c1cccc(C[NH+]2CCOCC2)c1)=C1CC[NH2+]CC1 ZINC001240876665 810813581 /nfs/dbraw/zinc/81/35/81/810813581.db2.gz CGLKOEHIJQXWMR-UHFFFAOYSA-N 2 1 272.392 2.286 20 0 CEADMP CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001085628925 810857304 /nfs/dbraw/zinc/85/73/04/810857304.db2.gz HQLGDBCNKHLMRT-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001085628925 810857309 /nfs/dbraw/zinc/85/73/09/810857309.db2.gz HQLGDBCNKHLMRT-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001085628925 810857314 /nfs/dbraw/zinc/85/73/14/810857314.db2.gz HQLGDBCNKHLMRT-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001085779515 810910443 /nfs/dbraw/zinc/91/04/43/810910443.db2.gz XEMOLRDJOHGHPD-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001085779515 810910447 /nfs/dbraw/zinc/91/04/47/810910447.db2.gz XEMOLRDJOHGHPD-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001085779515 810910449 /nfs/dbraw/zinc/91/04/49/810910449.db2.gz XEMOLRDJOHGHPD-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000713590724 810984384 /nfs/dbraw/zinc/98/43/84/810984384.db2.gz CNITZAUQNPSDBP-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP CC/C=C\CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129326961 811049471 /nfs/dbraw/zinc/04/94/71/811049471.db2.gz DBXQDYUPWNOTBC-OGZRUICASA-N 2 1 295.471 2.026 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCC(C)(C)C)C1 ZINC001129327745 811066670 /nfs/dbraw/zinc/06/66/70/811066670.db2.gz IKBLIUZZJZYBNH-OAHLLOKOSA-N 2 1 297.487 2.106 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328374 811078336 /nfs/dbraw/zinc/07/83/36/811078336.db2.gz OWSYJUQSWSPFDR-MRXNPFEDSA-N 2 1 297.487 2.106 20 0 CEADMP CC[C@@H](CC(C)C)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001172395472 815426869 /nfs/dbraw/zinc/42/68/69/815426869.db2.gz MFHGFMYQTWFVFZ-HNNXBMFYSA-N 2 1 255.450 2.038 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cncc(F)c2)CCC[C@@H]1C[NH3+] ZINC001205991398 811208819 /nfs/dbraw/zinc/20/88/19/811208819.db2.gz AOGJXUGPRJOKNK-WCQYABFASA-N 2 1 251.349 2.028 20 0 CEADMP COc1cc2[nH+]ccn2cc1-n1cnc2ccc(C[NH3+])cc21 ZINC001168847940 811279330 /nfs/dbraw/zinc/27/93/30/811279330.db2.gz NYQCXECLUZVBAZ-UHFFFAOYSA-N 2 1 293.330 2.141 20 0 CEADMP CCC(=O)Nc1cc(-n2cnc3ccc(C[NH3+])cc32)cc[nH+]1 ZINC001168847241 811280162 /nfs/dbraw/zinc/28/01/62/811280162.db2.gz YTNORFKNSZJQMF-UHFFFAOYSA-N 2 1 295.346 2.228 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c3ccccc3nn2C)CCC[C@H]1C[NH3+] ZINC001205996196 811307893 /nfs/dbraw/zinc/30/78/93/811307893.db2.gz VZSJEWPEAUPGCJ-KGLIPLIRSA-N 2 1 286.423 2.380 20 0 CEADMP CC(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001042922116 811337603 /nfs/dbraw/zinc/33/76/03/811337603.db2.gz BRXFYRXQOAMMDL-OAHLLOKOSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ncccc2F)CCC[C@@H]1C[NH3+] ZINC001205996370 811344757 /nfs/dbraw/zinc/34/47/57/811344757.db2.gz WOEQUHBGIMZTCJ-VXGBXAGGSA-N 2 1 251.349 2.028 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOCc1ccccc1)C2 ZINC001169096440 811365069 /nfs/dbraw/zinc/36/50/69/811365069.db2.gz WSGMTOIBKGBISE-BJWYYQGGSA-N 2 1 274.408 2.418 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)C2 ZINC001169100109 811372408 /nfs/dbraw/zinc/37/24/08/811372408.db2.gz GKYVLTQDKDSCBU-OQMKEHIESA-N 2 1 278.371 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)C2 ZINC001169100109 811372416 /nfs/dbraw/zinc/37/24/16/811372416.db2.gz GKYVLTQDKDSCBU-OQMKEHIESA-N 2 1 278.371 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)C2 ZINC001169077935 811375543 /nfs/dbraw/zinc/37/55/43/811375543.db2.gz BXOJOVXHZIGRIS-JONQDZQNSA-N 2 1 278.371 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCOC(C)(C)C1)C2 ZINC001169140096 811400180 /nfs/dbraw/zinc/40/01/80/811400180.db2.gz HJNBZCUAOANJCC-WDNDVIMCSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCOC(C)(C)C1)C2 ZINC001169140096 811400187 /nfs/dbraw/zinc/40/01/87/811400187.db2.gz HJNBZCUAOANJCC-WDNDVIMCSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCOC(C)(C)C1)C2 ZINC001169140096 811400191 /nfs/dbraw/zinc/40/01/91/811400191.db2.gz HJNBZCUAOANJCC-WDNDVIMCSA-N 2 1 252.402 2.113 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169142389 811408982 /nfs/dbraw/zinc/40/89/82/811408982.db2.gz CFTQCDMUMPFGFC-QKPAOTATSA-N 2 1 265.445 2.028 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](Oc3ccncc3)C1)C2 ZINC001169155469 811416654 /nfs/dbraw/zinc/41/66/54/811416654.db2.gz PGRGYAHNKDLHOG-WBTNSWJXSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](Oc3ccncc3)C1)C2 ZINC001169155469 811416659 /nfs/dbraw/zinc/41/66/59/811416659.db2.gz PGRGYAHNKDLHOG-WBTNSWJXSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](Oc3ccncc3)C1)C2 ZINC001169155469 811416663 /nfs/dbraw/zinc/41/66/63/811416663.db2.gz PGRGYAHNKDLHOG-WBTNSWJXSA-N 2 1 287.407 2.160 20 0 CEADMP CC[NH+]1CCC([NH2+]C23CCC(C(=O)OC)(CC2)CC3)CC1 ZINC001169220419 811433838 /nfs/dbraw/zinc/43/38/38/811433838.db2.gz PCDIUDNDIAOKDR-UHFFFAOYSA-N 2 1 294.439 2.326 20 0 CEADMP CCN1CCC([NH2+]CCc2ccc(C[NH+](C)C)cc2)CC1 ZINC001169230079 811443900 /nfs/dbraw/zinc/44/39/00/811443900.db2.gz NYWKSKNGOPPISC-UHFFFAOYSA-N 2 1 289.467 2.365 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2COc3cccc(OC)c3C2)CC1 ZINC001169232910 811447717 /nfs/dbraw/zinc/44/77/17/811447717.db2.gz IALZJDGRSLANIV-AWEZNQCLSA-N 2 1 290.407 2.073 20 0 CEADMP CCC(CC)C(=O)N1CC[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC001169239223 811457257 /nfs/dbraw/zinc/45/72/57/811457257.db2.gz SMJATAYCJOSKBJ-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH+](CC)CC1)C2 ZINC001169253865 811465172 /nfs/dbraw/zinc/46/51/72/811465172.db2.gz LZUNDLAKGFJODE-DLBZAZTESA-N 2 1 296.455 2.131 20 0 CEADMP CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CC[NH+](CC)CC1)C2 ZINC001169253865 811465178 /nfs/dbraw/zinc/46/51/78/811465178.db2.gz LZUNDLAKGFJODE-DLBZAZTESA-N 2 1 296.455 2.131 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001169444441 811512047 /nfs/dbraw/zinc/51/20/47/811512047.db2.gz PCVSWGLUJKRMFT-JONQDZQNSA-N 2 1 295.471 2.238 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001169444441 811512050 /nfs/dbraw/zinc/51/20/50/811512050.db2.gz PCVSWGLUJKRMFT-JONQDZQNSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001044741496 811531198 /nfs/dbraw/zinc/53/11/98/811531198.db2.gz CAACQZZFSWECMG-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CC2)[C@@H](C)C1 ZINC001169554219 811563794 /nfs/dbraw/zinc/56/37/94/811563794.db2.gz IJRSRQJDVAYJTJ-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2c3cc[nH]c3ncc2Cl)CC[C@H]1F ZINC001206165067 815458591 /nfs/dbraw/zinc/45/85/91/815458591.db2.gz MBIHZNJDMQIBEB-OLZOCXBDSA-N 2 1 296.777 2.429 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2c3cc[nH]c3ncc2Cl)CC[C@H]1F ZINC001206165067 815458595 /nfs/dbraw/zinc/45/85/95/815458595.db2.gz MBIHZNJDMQIBEB-OLZOCXBDSA-N 2 1 296.777 2.429 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(C)n1 ZINC001206013768 811585664 /nfs/dbraw/zinc/58/56/64/811585664.db2.gz UFRCFMUNFUJWCB-OCCSQVGLSA-N 2 1 277.412 2.205 20 0 CEADMP C[C@H]1C[N@H+](Cc2cc(F)c(O)cc2F)CCC[C@H]1C[NH3+] ZINC001206013263 811589003 /nfs/dbraw/zinc/58/90/03/811589003.db2.gz QXKOTVDVTKILLJ-QWRGUYRKSA-N 2 1 284.350 2.477 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(F)c(O)cc2F)CCC[C@H]1C[NH3+] ZINC001206013263 811589006 /nfs/dbraw/zinc/58/90/06/811589006.db2.gz QXKOTVDVTKILLJ-QWRGUYRKSA-N 2 1 284.350 2.477 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](C(C)C)CC2)CC[N@H+]1C ZINC001045444854 811612565 /nfs/dbraw/zinc/61/25/65/811612565.db2.gz YTJFLCLAAMLXSR-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP [NH3+]CCc1cn(-c2c[nH+]c3c(c2)CCCN3)c2cccnc12 ZINC001169710166 811637207 /nfs/dbraw/zinc/63/72/07/811637207.db2.gz ZMSDANJTTWGZMK-UHFFFAOYSA-N 2 1 293.374 2.058 20 0 CEADMP C[N@H+]1CCCC[C@@H]1c1ccc(-n2ccc(C[NH3+])c2)nc1 ZINC001169724750 811644130 /nfs/dbraw/zinc/64/41/30/811644130.db2.gz DCKGEEQPIILRJI-OAHLLOKOSA-N 2 1 270.380 2.488 20 0 CEADMP Cc1c[nH]c2nc(NCC34CC[NH+](CC3)CC4)[nH+]cc12 ZINC001169794247 811672924 /nfs/dbraw/zinc/67/29/24/811672924.db2.gz JMBAYYYKLQKOIN-UHFFFAOYSA-N 2 1 271.368 2.116 20 0 CEADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169810587 811677324 /nfs/dbraw/zinc/67/73/24/811677324.db2.gz RARFXBDEGZSJPJ-LSDHHAIUSA-N 2 1 283.460 2.145 20 0 CEADMP COc1cncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1C ZINC001206024390 811713403 /nfs/dbraw/zinc/71/34/03/811713403.db2.gz JIMRFYKABIMMAG-JSGCOSHPSA-N 2 1 277.412 2.205 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC001172611123 815473215 /nfs/dbraw/zinc/47/32/15/815473215.db2.gz LRWMRAHNQQWPML-GOEBONIOSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169988494 811844441 /nfs/dbraw/zinc/84/44/41/811844441.db2.gz XSJLDDDYLIEQTG-JSGCOSHPSA-N 2 1 283.460 2.327 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169988494 811844450 /nfs/dbraw/zinc/84/44/50/811844450.db2.gz XSJLDDDYLIEQTG-JSGCOSHPSA-N 2 1 283.460 2.327 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001113495733 812261085 /nfs/dbraw/zinc/26/10/85/812261085.db2.gz WCCAUXNEWCLCFP-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CC[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)CCO1 ZINC001170192707 812333772 /nfs/dbraw/zinc/33/37/72/812333772.db2.gz DVVRBDVQNOEKAJ-JKSUJKDBSA-N 2 1 289.423 2.289 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001170172468 812334555 /nfs/dbraw/zinc/33/45/55/812334555.db2.gz ZDLVUOIDNXVIEM-RMEBNNNOSA-N 2 1 252.402 2.159 20 0 CEADMP CC[C@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)CCO1 ZINC001170218592 812341789 /nfs/dbraw/zinc/34/17/89/812341789.db2.gz FFJSUCOJGKYKGC-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP CC[C@H]1C[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)CCO1 ZINC001170242700 812353669 /nfs/dbraw/zinc/35/36/69/812353669.db2.gz KEWBDRNCPCWISL-GJZGRUSLSA-N 2 1 252.402 2.114 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+]C2(C3CCOCC3)CC2)CC1 ZINC001254501773 812410217 /nfs/dbraw/zinc/41/02/17/812410217.db2.gz XLIBVEODUPWHQF-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@H+]1CCC[C@H](N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC001254515772 812435189 /nfs/dbraw/zinc/43/51/89/812435189.db2.gz CNMSCTUQBRTUMG-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052767418 812458566 /nfs/dbraw/zinc/45/85/66/812458566.db2.gz UYZJYPJXGPZQLP-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130190002 812542581 /nfs/dbraw/zinc/54/25/81/812542581.db2.gz UWEDKHVFBPYUOA-CVEARBPZSA-N 2 1 295.471 2.289 20 0 CEADMP C[C@H](Nc1[nH+]ccc2cc(F)ccc21)[C@@H]1C[NH2+]CCO1 ZINC001170565355 812683047 /nfs/dbraw/zinc/68/30/47/812683047.db2.gz UZSMAYRONHXHJP-HZMBPMFUSA-N 2 1 275.327 2.163 20 0 CEADMP CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050075635 812778987 /nfs/dbraw/zinc/77/89/87/812778987.db2.gz LIPVIRRZOFGREA-ARFHVFGLSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1cc(F)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206182688 815556067 /nfs/dbraw/zinc/55/60/67/815556067.db2.gz DACLAHBHVWSFFO-ZIAGYGMSSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1cc(F)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206182688 815556070 /nfs/dbraw/zinc/55/60/70/815556070.db2.gz DACLAHBHVWSFFO-ZIAGYGMSSA-N 2 1 254.324 2.395 20 0 CEADMP CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001050256582 812799262 /nfs/dbraw/zinc/79/92/62/812799262.db2.gz AAVKSLHGVPTSOL-CJNGLKHVSA-N 2 1 289.423 2.068 20 0 CEADMP CCCCC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132247974 812806854 /nfs/dbraw/zinc/80/68/54/812806854.db2.gz AMPVJKFPHXMHHY-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001086694397 812945327 /nfs/dbraw/zinc/94/53/27/812945327.db2.gz PXRZFTTUWJYAHF-XHSDSOJGSA-N 2 1 295.471 2.142 20 0 CEADMP Cc1n[nH]c(C)c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206582957 813054662 /nfs/dbraw/zinc/05/46/62/813054662.db2.gz QWOWCGIANJCVMF-CQSZACIVSA-N 2 1 264.417 2.379 20 0 CEADMP CO[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000386153415 813154861 /nfs/dbraw/zinc/15/48/61/813154861.db2.gz PISSZCXPUYOQPC-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]C(C)C)C1 ZINC001086711874 813155811 /nfs/dbraw/zinc/15/58/11/813155811.db2.gz FTWHLCVZOYWGJR-ARFHVFGLSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCC2CCCCC2)C1 ZINC001133845441 813165038 /nfs/dbraw/zinc/16/50/38/813165038.db2.gz GCDCVPHVQPFHQW-OAHLLOKOSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@@H](COCc1ccccc1)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000390280901 813262037 /nfs/dbraw/zinc/26/20/37/813262037.db2.gz VEYSGWKSVBKJDR-ZBFHGGJFSA-N 2 1 262.397 2.120 20 0 CEADMP C[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000390363260 813263728 /nfs/dbraw/zinc/26/37/28/813263728.db2.gz PPOKWZNDGUIEDM-ZBFHGGJFSA-N 2 1 262.397 2.262 20 0 CEADMP C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000390363260 813263730 /nfs/dbraw/zinc/26/37/30/813263730.db2.gz PPOKWZNDGUIEDM-ZBFHGGJFSA-N 2 1 262.397 2.262 20 0 CEADMP C[C@@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607695 813298379 /nfs/dbraw/zinc/29/83/79/813298379.db2.gz JWLXMNMVIBIRHO-KBPBESRZSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H](C[C@@H](C)[NH2+]CCC1CC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607698 813298709 /nfs/dbraw/zinc/29/87/09/813298709.db2.gz JWLXMNMVIBIRHO-ZIAGYGMSSA-N 2 1 295.471 2.144 20 0 CEADMP COc1c(C)cnc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1C ZINC000392771498 813306502 /nfs/dbraw/zinc/30/65/02/813306502.db2.gz ADETWTHUAOAXSW-UHFFFAOYSA-N 2 1 275.396 2.059 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CCCC1 ZINC001134767481 813322645 /nfs/dbraw/zinc/32/26/45/813322645.db2.gz YNDPPTZJGFIWMN-MRXNPFEDSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCN(C)c1ccccc1 ZINC000396641515 813578017 /nfs/dbraw/zinc/57/80/17/813578017.db2.gz PFARLFHFOQORAF-GDBMZVCRSA-N 2 1 261.413 2.243 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000396689747 813580819 /nfs/dbraw/zinc/58/08/19/813580819.db2.gz BQILEKXQMXKXOE-KBPBESRZSA-N 2 1 272.396 2.157 20 0 CEADMP [NH3+]CCC[C@H]([NH3+])Nc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001170904256 813631635 /nfs/dbraw/zinc/63/16/35/813631635.db2.gz MPWVNPLYAHJKJP-OAHLLOKOSA-N 2 1 269.352 2.152 20 0 CEADMP [NH3+]CC1([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170913664 813635220 /nfs/dbraw/zinc/63/52/20/813635220.db2.gz HLWZZPLBECHCPJ-NSHDSACASA-N 2 1 250.773 2.278 20 0 CEADMP CC(C)C1CCC([NH2+]CCCC[NH+]2CCNCC2)CC1 ZINC001246090332 813679216 /nfs/dbraw/zinc/67/92/16/813679216.db2.gz WJVRXDHBVHGXMW-UHFFFAOYSA-N 2 1 281.488 2.476 20 0 CEADMP CCC[C@@H](C)CC[C@@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C(=O)OC ZINC001246331482 813780914 /nfs/dbraw/zinc/78/09/14/813780914.db2.gz XKPFZZVCUVNYLM-TUVASFSCSA-N 2 1 284.444 2.332 20 0 CEADMP Cc1cccn2c(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)cnc12 ZINC001136961368 813801867 /nfs/dbraw/zinc/80/18/67/813801867.db2.gz KCVJFSUXVQDMQL-CABCVRRESA-N 2 1 284.407 2.026 20 0 CEADMP Cc1cccn2c(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)cnc12 ZINC001136961368 813801885 /nfs/dbraw/zinc/80/18/85/813801885.db2.gz KCVJFSUXVQDMQL-CABCVRRESA-N 2 1 284.407 2.026 20 0 CEADMP Cc1cccn2c(C[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)cnc12 ZINC001136961368 813801890 /nfs/dbraw/zinc/80/18/90/813801890.db2.gz KCVJFSUXVQDMQL-CABCVRRESA-N 2 1 284.407 2.026 20 0 CEADMP CCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074686134 813844278 /nfs/dbraw/zinc/84/42/78/813844278.db2.gz RBJYFQRUCSAZDY-XHSDSOJGSA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@]1([NH2+][C@@H](C)Cc2ccccc2F)CC[NH2+]C1 ZINC001246467222 813854975 /nfs/dbraw/zinc/85/49/75/813854975.db2.gz YWAOVFZAQXJNPL-WFASDCNBSA-N 2 1 250.361 2.488 20 0 CEADMP [NH3+][C@H]1CC[N@@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171094011 813857638 /nfs/dbraw/zinc/85/76/38/813857638.db2.gz JPWKTJBNKBHCCB-KBPBESRZSA-N 2 1 250.773 2.230 20 0 CEADMP [NH3+][C@H]1CC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171094011 813857649 /nfs/dbraw/zinc/85/76/49/813857649.db2.gz JPWKTJBNKBHCCB-KBPBESRZSA-N 2 1 250.773 2.230 20 0 CEADMP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246504272 813879682 /nfs/dbraw/zinc/87/96/82/813879682.db2.gz PURAUBXVKAMCCJ-VGWMRTNUSA-N 3 1 267.461 2.370 20 0 CEADMP C[C@@H](Cc1ccccn1)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246545693 813975834 /nfs/dbraw/zinc/97/58/34/813975834.db2.gz CLKKZJWCNRIYSZ-DZGCQCFKSA-N 2 1 265.376 2.166 20 0 CEADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc4cc[nH]c4n3)C[C@H]2C1 ZINC001144188334 813989201 /nfs/dbraw/zinc/98/92/01/813989201.db2.gz WTSTUYITHYLARB-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4cc[nH]c4n3)C[C@@H]2C1 ZINC001144188334 813989205 /nfs/dbraw/zinc/98/92/05/813989205.db2.gz WTSTUYITHYLARB-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4cc[nH]c4n3)C[C@@H]2C1 ZINC001144188334 813989211 /nfs/dbraw/zinc/98/92/11/813989211.db2.gz WTSTUYITHYLARB-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4n3)C[C@@H]2C1 ZINC001144188334 813989216 /nfs/dbraw/zinc/98/92/16/813989216.db2.gz WTSTUYITHYLARB-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4n3)C[C@@H]2C1 ZINC001144188334 813989220 /nfs/dbraw/zinc/98/92/20/813989220.db2.gz WTSTUYITHYLARB-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246551096 814009950 /nfs/dbraw/zinc/00/99/50/814009950.db2.gz KPOALJPHYNVSIL-YCPHGPKFSA-N 3 1 267.461 2.356 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246551096 814009957 /nfs/dbraw/zinc/00/99/57/814009957.db2.gz KPOALJPHYNVSIL-YCPHGPKFSA-N 3 1 267.461 2.356 20 0 CEADMP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C[NH2+]C)C2)C[C@H](CC)[NH2+]1 ZINC001246552065 814013838 /nfs/dbraw/zinc/01/38/38/814013838.db2.gz USHJMARCHZAUME-WCVJEAGWSA-N 3 1 267.461 2.227 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[NH2+]C)C2)C[C@H](CC)[NH2+]1 ZINC001246552065 814013843 /nfs/dbraw/zinc/01/38/43/814013843.db2.gz USHJMARCHZAUME-WCVJEAGWSA-N 3 1 267.461 2.227 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246554467 814022298 /nfs/dbraw/zinc/02/22/98/814022298.db2.gz ZXRPTCGOQVIICI-OAHLLOKOSA-N 3 1 279.472 2.230 20 0 CEADMP CSCC[C@H](C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246555680 814028284 /nfs/dbraw/zinc/02/82/84/814028284.db2.gz HHTPSBXOKCAFAN-UWVGGRQHSA-N 2 1 252.374 2.044 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2Cc3cccc(F)c3C2)CCC1(F)F ZINC001246558079 814036688 /nfs/dbraw/zinc/03/66/88/814036688.db2.gz OCFIVGBNSHZMSE-VXGBXAGGSA-N 2 1 284.325 2.209 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2Cc3cccc(F)c3C2)CCC1(F)F ZINC001246558079 814036693 /nfs/dbraw/zinc/03/66/93/814036693.db2.gz OCFIVGBNSHZMSE-VXGBXAGGSA-N 2 1 284.325 2.209 20 0 CEADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246561857 814049009 /nfs/dbraw/zinc/04/90/09/814049009.db2.gz GPUBFWWPWKGFOL-NPJQDHAYSA-N 3 1 267.461 2.355 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246561857 814049016 /nfs/dbraw/zinc/04/90/16/814049016.db2.gz GPUBFWWPWKGFOL-NPJQDHAYSA-N 3 1 267.461 2.355 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(COC2)CC1 ZINC001255955036 814060536 /nfs/dbraw/zinc/06/05/36/814060536.db2.gz MQIHXNVESMBAPK-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]1C[N@@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C[C@H]1[NH3+] ZINC001246566599 814061196 /nfs/dbraw/zinc/06/11/96/814061196.db2.gz HMTASYYMEYOYIK-VCTAVGKDSA-N 2 1 264.800 2.476 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C[C@H]1[NH3+] ZINC001246566599 814061204 /nfs/dbraw/zinc/06/12/04/814061204.db2.gz HMTASYYMEYOYIK-VCTAVGKDSA-N 2 1 264.800 2.476 20 0 CEADMP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@](N)(C(F)(F)F)C2)C[C@H](CC)[NH2+]1 ZINC001246570316 814083487 /nfs/dbraw/zinc/08/34/87/814083487.db2.gz PARVJUKLMBYSBZ-RNJOBUHISA-N 2 1 293.377 2.261 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@](N)(C(F)(F)F)C2)C[C@H](CC)[NH2+]1 ZINC001246570316 814083491 /nfs/dbraw/zinc/08/34/91/814083491.db2.gz PARVJUKLMBYSBZ-RNJOBUHISA-N 2 1 293.377 2.261 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)CCO1 ZINC001246579568 814139620 /nfs/dbraw/zinc/13/96/20/814139620.db2.gz FUGQFUCNPJFMGQ-RRFJBIMHSA-N 2 1 254.418 2.395 20 0 CEADMP CCOC1CCC([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246586709 814172022 /nfs/dbraw/zinc/17/20/22/814172022.db2.gz MZVCLVMAUCKAQR-PQAZSJQKSA-N 2 1 258.381 2.095 20 0 CEADMP CCOC1CCC([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246586709 814172025 /nfs/dbraw/zinc/17/20/25/814172025.db2.gz MZVCLVMAUCKAQR-PQAZSJQKSA-N 2 1 258.381 2.095 20 0 CEADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCc3ncsc3C2)C1 ZINC001246592693 814184692 /nfs/dbraw/zinc/18/46/92/814184692.db2.gz LCHQWKFYQDCEAV-DOMZBBRYSA-N 2 1 279.453 2.451 20 0 CEADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC2CCCCC2)C1 ZINC001171226987 814192735 /nfs/dbraw/zinc/19/27/35/814192735.db2.gz LKFXJYNETXHZBX-INIZCTEOSA-N 2 1 295.471 2.004 20 0 CEADMP C[NH2+]CC1C[NH+]([C@H](C)CCc2ccc(OC)cc2)C1 ZINC001246597590 814195142 /nfs/dbraw/zinc/19/51/42/814195142.db2.gz NOZXNAZAWIAYCL-CYBMUJFWSA-N 2 1 262.397 2.168 20 0 CEADMP C[C@H]1C[C@@H]([N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC(C)(C)C1 ZINC001246623065 814221812 /nfs/dbraw/zinc/22/18/12/814221812.db2.gz JPOIPIKFAVCFDZ-GBJTYRQASA-N 2 1 266.429 2.121 20 0 CEADMP C[C@@H](Cc1ccccc1F)[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001246876687 814328836 /nfs/dbraw/zinc/32/88/36/814328836.db2.gz LWMCWAFFVYBMQB-STQMWFEESA-N 2 1 250.361 2.441 20 0 CEADMP C[C@@H](Cc1ccccc1F)[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001246876687 814328842 /nfs/dbraw/zinc/32/88/42/814328842.db2.gz LWMCWAFFVYBMQB-STQMWFEESA-N 2 1 250.361 2.441 20 0 CEADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C)[NH+](C)C ZINC001103443934 814501060 /nfs/dbraw/zinc/50/10/60/814501060.db2.gz SCORALKILPVFTQ-OAGGEKHMSA-N 2 1 297.487 2.057 20 0 CEADMP CCCCC[C@@H](CCC)[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246993234 814509250 /nfs/dbraw/zinc/50/92/50/814509250.db2.gz YXUABPSVNXDNBY-ZIAGYGMSSA-N 2 1 254.418 2.395 20 0 CEADMP CCCCC[C@@H](CCC)[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246993234 814509256 /nfs/dbraw/zinc/50/92/56/814509256.db2.gz YXUABPSVNXDNBY-ZIAGYGMSSA-N 2 1 254.418 2.395 20 0 CEADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755470 814521145 /nfs/dbraw/zinc/52/11/45/814521145.db2.gz IEKULCKOIYVFRI-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103755470 814521149 /nfs/dbraw/zinc/52/11/49/814521149.db2.gz IEKULCKOIYVFRI-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103755470 814521153 /nfs/dbraw/zinc/52/11/53/814521153.db2.gz IEKULCKOIYVFRI-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148286179 814551060 /nfs/dbraw/zinc/55/10/60/814551060.db2.gz UPZAXLTWPGWBLP-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC1CCCCCC1 ZINC001148573567 814590422 /nfs/dbraw/zinc/59/04/22/814590422.db2.gz UYWGUBVXZRESMG-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]C(C)C)C1 ZINC001086883118 814640120 /nfs/dbraw/zinc/64/01/20/814640120.db2.gz OFZQYIKWDXWRPH-ARFHVFGLSA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)[C@H](CC)CO1 ZINC000697035797 814645114 /nfs/dbraw/zinc/64/51/14/814645114.db2.gz WDPYKXGHSNMOQG-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)[C@H](CC)CO1 ZINC000697035797 814645118 /nfs/dbraw/zinc/64/51/18/814645118.db2.gz WDPYKXGHSNMOQG-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cc1ccccn1 ZINC000699647833 814666612 /nfs/dbraw/zinc/66/66/12/814666612.db2.gz VQSABKOLTOAUNQ-ZDUSSCGKSA-N 2 1 258.369 2.197 20 0 CEADMP CC[NH+](CC)C1CCC([NH2+]CCn2cc[nH+]c2C)CC1 ZINC001173105323 815581427 /nfs/dbraw/zinc/58/14/27/815581427.db2.gz QIFOCKJNHQYRCB-UHFFFAOYSA-N 3 1 278.444 2.434 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC001173110800 815582598 /nfs/dbraw/zinc/58/25/98/815582598.db2.gz YFNJJIHUZUOBBB-SLTXQBBLSA-N 2 1 268.445 2.342 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000712451422 814748864 /nfs/dbraw/zinc/74/88/64/814748864.db2.gz KXNHCAGGPVOCLZ-KGLIPLIRSA-N 2 1 252.402 2.291 20 0 CEADMP CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730373 814751372 /nfs/dbraw/zinc/75/13/72/814751372.db2.gz HMCUXGAQVQUONQ-GJZGRUSLSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@@H+](Cc1scnc1Cl)C1CCC([NH3+])CC1 ZINC000713485220 814858618 /nfs/dbraw/zinc/85/86/18/814858618.db2.gz YKROBJBYKXKFMH-UHFFFAOYSA-N 2 1 259.806 2.498 20 0 CEADMP CC1(C)CC[C@H](C[N@@H+]2CC[NH2+]CCC2(C)C)OC1 ZINC000713586737 814866218 /nfs/dbraw/zinc/86/62/18/814866218.db2.gz NBLXUEMYJVWPOX-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CC[NH2+]CCC2(C)C)OC1 ZINC000713586737 814866225 /nfs/dbraw/zinc/86/62/25/814866225.db2.gz NBLXUEMYJVWPOX-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001116863333 814888355 /nfs/dbraw/zinc/88/83/55/814888355.db2.gz XOYQZNQTDFMLEZ-UHFFFAOYSA-N 2 1 295.390 2.382 20 0 CEADMP CC1(C)CCC[C@@H](C[N@H+]2CCC[C@@H](CC[NH3+])C2)O1 ZINC000714380727 814893551 /nfs/dbraw/zinc/89/35/51/814893551.db2.gz SFIBAZXRNWWVIK-KBPBESRZSA-N 2 1 254.418 2.395 20 0 CEADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CCO1 ZINC001173171517 815621992 /nfs/dbraw/zinc/62/19/92/815621992.db2.gz ZKZKWINVZCDXSC-SOUVJXGZSA-N 2 1 254.418 2.395 20 0 CEADMP CCc1ccc(C[C@H](C)[NH2+]CCC[N@@H+](C)CCO)cc1 ZINC001173251755 815639523 /nfs/dbraw/zinc/63/95/23/815639523.db2.gz DCKQRUIRFPXPJZ-HNNXBMFYSA-N 2 1 278.440 2.084 20 0 CEADMP CC[N@H+]1CC[C@H](n2cc(CC[NH3+])c3ccccc32)C1 ZINC001173347322 815683658 /nfs/dbraw/zinc/68/36/58/815683658.db2.gz APMQZBQYIDOTOS-AWEZNQCLSA-N 2 1 257.381 2.409 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001173353405 815694093 /nfs/dbraw/zinc/69/40/93/815694093.db2.gz NHAOSYDWEOOJHY-LSDHHAIUSA-N 2 1 265.445 2.077 20 0 CEADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001173353405 815694100 /nfs/dbraw/zinc/69/41/00/815694100.db2.gz NHAOSYDWEOOJHY-LSDHHAIUSA-N 2 1 265.445 2.077 20 0 CEADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001173353405 815694107 /nfs/dbraw/zinc/69/41/07/815694107.db2.gz NHAOSYDWEOOJHY-LSDHHAIUSA-N 2 1 265.445 2.077 20 0 CEADMP CC[N@H+]1CC[C@H](N2CCC([NH3+])(c3ccccc3)CC2)C1 ZINC001173354514 815694448 /nfs/dbraw/zinc/69/44/48/815694448.db2.gz OOCYOSYWTPYCDD-INIZCTEOSA-N 2 1 273.424 2.031 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CCC([NH3+])(CC3CCC3)CC2)C1 ZINC001173354286 815694530 /nfs/dbraw/zinc/69/45/30/815694530.db2.gz MRDFVLCBUJRQTP-OAHLLOKOSA-N 2 1 265.445 2.064 20 0 CEADMP CC[N@@H+]1CC[C@H](N(C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001173375237 815709650 /nfs/dbraw/zinc/70/96/50/815709650.db2.gz RSZOPJXYPAFHEI-KRWDZBQOSA-N 2 1 279.472 2.419 20 0 CEADMP CC[N@H+]1CC[C@H](N(C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001173375237 815709651 /nfs/dbraw/zinc/70/96/51/815709651.db2.gz RSZOPJXYPAFHEI-KRWDZBQOSA-N 2 1 279.472 2.419 20 0 CEADMP COC(=O)CCCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001173437869 815715533 /nfs/dbraw/zinc/71/55/33/815715533.db2.gz SIHLIXQIYSXKLK-ZIAGYGMSSA-N 2 1 270.417 2.182 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc4nccnc34)C2)C1 ZINC001138308104 815763859 /nfs/dbraw/zinc/76/38/59/815763859.db2.gz ZCUIJMDNFFAKFA-KRWDZBQOSA-N 2 1 282.391 2.157 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc4nccnc34)C2)C1 ZINC001138308104 815763866 /nfs/dbraw/zinc/76/38/66/815763866.db2.gz ZCUIJMDNFFAKFA-KRWDZBQOSA-N 2 1 282.391 2.157 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc4nccnc34)C2)C1 ZINC001138308104 815763868 /nfs/dbraw/zinc/76/38/68/815763868.db2.gz ZCUIJMDNFFAKFA-KRWDZBQOSA-N 2 1 282.391 2.157 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC001173630200 815771746 /nfs/dbraw/zinc/77/17/46/815771746.db2.gz PIWZCFRTEQKRNT-URGYJCLVSA-N 2 1 282.428 2.310 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C1 ZINC001173636028 815773669 /nfs/dbraw/zinc/77/36/69/815773669.db2.gz FJHCHRJLGXCAJM-QLFBSQMISA-N 2 1 282.428 2.182 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@@H](n2cc[nH+]c2CCC[NH3+])C1 ZINC001173651955 815793334 /nfs/dbraw/zinc/79/33/34/815793334.db2.gz PNQONSWYERQVPQ-QWHCGFSZSA-N 2 1 279.384 2.069 20 0 CEADMP CNc1ncccc1CN1CC[C@H](Oc2ccncc2C)C1 ZINC001138697137 815871294 /nfs/dbraw/zinc/87/12/94/815871294.db2.gz RLEOYZFRUOZHEX-HNNXBMFYSA-N 2 1 298.390 2.480 20 0 CEADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc4c(c3)CCCO4)C[C@@H]2C1 ZINC001138716917 815877293 /nfs/dbraw/zinc/87/72/93/815877293.db2.gz CKLIPOHMROFVFI-IRXDYDNUSA-N 2 1 286.419 2.395 20 0 CEADMP CC[C@@H](C)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139321650 816003063 /nfs/dbraw/zinc/00/30/63/816003063.db2.gz JJHRERQAEOLCLS-GFCCVEGCSA-N 2 1 282.457 2.125 20 0 CEADMP CC[C@@H](C)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139321650 816003071 /nfs/dbraw/zinc/00/30/71/816003071.db2.gz JJHRERQAEOLCLS-GFCCVEGCSA-N 2 1 282.457 2.125 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CCC[C@@H]1O ZINC001139355844 816011719 /nfs/dbraw/zinc/01/17/19/816011719.db2.gz CDAHUHNDWVWPSL-YOEHRIQHSA-N 2 1 285.391 2.465 20 0 CEADMP COC(C[N@H+](C)Cc1ccccc1-n1cc[nH+]c1C)OC ZINC001140026613 816169029 /nfs/dbraw/zinc/16/90/29/816169029.db2.gz NVVZMFCDAIAXDA-UHFFFAOYSA-N 2 1 289.379 2.231 20 0 CEADMP COC(C[N@@H+](C)Cc1ccccc1-n1cc[nH+]c1C)OC ZINC001140026613 816169034 /nfs/dbraw/zinc/16/90/34/816169034.db2.gz NVVZMFCDAIAXDA-UHFFFAOYSA-N 2 1 289.379 2.231 20 0 CEADMP C[N@H+]1CCC=C(Nc2cc[nH+]c(N3CCCC3)c2)C1 ZINC001175576068 816241113 /nfs/dbraw/zinc/24/11/13/816241113.db2.gz DKFLHEZQHHXRSA-UHFFFAOYSA-N 2 1 258.369 2.313 20 0 CEADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCCC2CCCC2)C1 ZINC001176071910 816333819 /nfs/dbraw/zinc/33/38/19/816333819.db2.gz KMBVVDGCEQUXDV-MRXNPFEDSA-N 2 1 295.471 2.004 20 0 CEADMP Cn1cnc2ccc(C[N@H+](C)CCC[NH+]3CCCC3)cc21 ZINC001140746131 816341745 /nfs/dbraw/zinc/34/17/45/816341745.db2.gz FJNIHKRTTGBESL-UHFFFAOYSA-N 2 1 286.423 2.491 20 0 CEADMP Cn1cnc2ccc(C[N@@H+](C)CCC[NH+]3CCCC3)cc21 ZINC001140746131 816341750 /nfs/dbraw/zinc/34/17/50/816341750.db2.gz FJNIHKRTTGBESL-UHFFFAOYSA-N 2 1 286.423 2.491 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1CN1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001140803315 816363809 /nfs/dbraw/zinc/36/38/09/816363809.db2.gz OJYNJVAIJUDIHY-UHFFFAOYSA-N 2 1 296.418 2.481 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1CN1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001140803315 816363815 /nfs/dbraw/zinc/36/38/15/816363815.db2.gz OJYNJVAIJUDIHY-UHFFFAOYSA-N 2 1 296.418 2.481 20 0 CEADMP CC[N@@H+]1CCN(Cc2c[nH]c3cc[nH+]cc23)C(C)(C)C1 ZINC001140806707 816366141 /nfs/dbraw/zinc/36/61/41/816366141.db2.gz OQBMJQURJGNIRL-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC[N@H+]1CCN(Cc2c[nH]c3cc[nH+]cc23)C(C)(C)C1 ZINC001140806707 816366151 /nfs/dbraw/zinc/36/61/51/816366151.db2.gz OQBMJQURJGNIRL-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2c[nH]c3ccncc23)C1 ZINC001140805454 816367354 /nfs/dbraw/zinc/36/73/54/816367354.db2.gz GCLRXPGPMPILMK-CQSZACIVSA-N 2 1 286.379 2.006 20 0 CEADMP CC(=O)N1CCC[C@@H]([N@H+](C)Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805454 816367377 /nfs/dbraw/zinc/36/73/77/816367377.db2.gz GCLRXPGPMPILMK-CQSZACIVSA-N 2 1 286.379 2.006 20 0 CEADMP CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805454 816367384 /nfs/dbraw/zinc/36/73/84/816367384.db2.gz GCLRXPGPMPILMK-CQSZACIVSA-N 2 1 286.379 2.006 20 0 CEADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001176267408 816385290 /nfs/dbraw/zinc/38/52/90/816385290.db2.gz BSASUBSDTJFMGG-OAHLLOKOSA-N 2 1 285.476 2.393 20 0 CEADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176591795 816438194 /nfs/dbraw/zinc/43/81/94/816438194.db2.gz POQSNLDVGIEZKD-CQSZACIVSA-N 2 1 294.443 2.256 20 0 CEADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563143 816441662 /nfs/dbraw/zinc/44/16/62/816441662.db2.gz BHOWUPIPRNSZQZ-JKSUJKDBSA-N 2 1 297.487 2.393 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176971884 816502605 /nfs/dbraw/zinc/50/26/05/816502605.db2.gz KJGHGVJFDXQULR-HNNXBMFYSA-N 2 1 285.476 2.105 20 0 CEADMP C[C@@H](CC[NH+](C)C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC001141745922 816583558 /nfs/dbraw/zinc/58/35/58/816583558.db2.gz CFOUYMQXWZCWTN-JKSUJKDBSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc4nc[nH]c43)C[C@H]2C1 ZINC001142695926 816714525 /nfs/dbraw/zinc/71/45/25/816714525.db2.gz DNIAHZOXYAMNHM-HUUCEWRRSA-N 2 1 284.407 2.337 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc(OC)n1 ZINC001206327749 816742447 /nfs/dbraw/zinc/74/24/47/816742447.db2.gz XALWFOSHRNWICN-MRXNPFEDSA-N 2 1 293.411 2.050 20 0 CEADMP CCCC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178926438 816809599 /nfs/dbraw/zinc/80/95/99/816809599.db2.gz WKSPQBGLBNECIU-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000124524473 187141307 /nfs/dbraw/zinc/14/13/07/187141307.db2.gz AFLGXUOKVUSVNE-QGZVFWFLSA-N 2 1 276.424 2.054 20 0 CEADMP CC(C)[NH+](CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000127650392 187324024 /nfs/dbraw/zinc/32/40/24/187324024.db2.gz WLYVDTKVYZIZHR-HZPDHXFCSA-N 2 1 267.461 2.322 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCC2(C)C)CC1 ZINC000342684108 282098390 /nfs/dbraw/zinc/09/83/90/282098390.db2.gz BEPJKYIFAOCIRI-HNNXBMFYSA-N 2 1 267.461 2.038 20 0 CEADMP O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CCC[NH+]1CCCC1 ZINC000124657915 187147567 /nfs/dbraw/zinc/14/75/67/187147567.db2.gz SOKYOHRMDZSRBD-IXDOHACOSA-N 2 1 280.456 2.488 20 0 CEADMP C[C@@H](Cc1ccoc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000449131583 282112234 /nfs/dbraw/zinc/11/22/34/282112234.db2.gz NYLDQQVTCIPYKQ-HNNXBMFYSA-N 2 1 292.423 2.445 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336586953 365683885 /nfs/dbraw/zinc/68/38/85/365683885.db2.gz LMKGXYZCIZTOIT-QGZVFWFLSA-N 2 1 287.407 2.221 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336586953 365683890 /nfs/dbraw/zinc/68/38/90/365683890.db2.gz LMKGXYZCIZTOIT-QGZVFWFLSA-N 2 1 287.407 2.221 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CSC[C@H]2C)CC1 ZINC000449180720 282133280 /nfs/dbraw/zinc/13/32/80/282133280.db2.gz BQFZDFRLQLIONU-UKRRQHHQSA-N 2 1 286.485 2.217 20 0 CEADMP C[N@@H+](Cc1cccc2cccnc21)C1CC[NH2+]CC1 ZINC000036301497 361839716 /nfs/dbraw/zinc/83/97/16/361839716.db2.gz YPHCFRVOPHWIKE-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP CCOc1ccc(OCC[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000036300283 361839920 /nfs/dbraw/zinc/83/99/20/361839920.db2.gz MZURYEZIHMPFHY-UHFFFAOYSA-N 2 1 278.396 2.148 20 0 CEADMP C[N@@H+](Cc1ccc(-n2cccn2)cc1)C1CC[NH2+]CC1 ZINC000036301030 361840043 /nfs/dbraw/zinc/84/00/43/361840043.db2.gz KDTGIKAIAHXKOJ-UHFFFAOYSA-N 2 1 270.380 2.056 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000036908045 361870426 /nfs/dbraw/zinc/87/04/26/361870426.db2.gz RNJWHBAPBPZTOA-UMVBOHGHSA-N 2 1 290.407 2.276 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000036908045 361870432 /nfs/dbraw/zinc/87/04/32/361870432.db2.gz RNJWHBAPBPZTOA-UMVBOHGHSA-N 2 1 290.407 2.276 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C/C=C/c1ccncc1 ZINC000337951586 214329656 /nfs/dbraw/zinc/32/96/56/214329656.db2.gz XYPOOTPZSSJIBC-DUXPYHPUSA-N 2 1 256.353 2.280 20 0 CEADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccn(C)n1 ZINC000338014602 214361155 /nfs/dbraw/zinc/36/11/55/214361155.db2.gz VSXUOSIBVFZNIC-CYBMUJFWSA-N 2 1 261.373 2.056 20 0 CEADMP COC[C@H](CC(C)C)[NH2+]CCCn1cc[nH+]c1C ZINC000338005897 214355245 /nfs/dbraw/zinc/35/52/45/214355245.db2.gz BZXJJVGAMQBDPF-AWEZNQCLSA-N 2 1 253.390 2.232 20 0 CEADMP CO[C@@]1(C)C[C@@H]([NH2+]CCCn2cc[nH+]c2C)C1(C)C ZINC000338018982 214364847 /nfs/dbraw/zinc/36/48/47/214364847.db2.gz NTXFDOOKBKALOB-HIFRSBDPSA-N 2 1 265.401 2.375 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621648875 349649974 /nfs/dbraw/zinc/64/99/74/349649974.db2.gz AZZXSCDETFGNJW-CVEARBPZSA-N 2 1 295.471 2.147 20 0 CEADMP C[N@@H+](CCNC(=O)CC[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000621642226 349650173 /nfs/dbraw/zinc/65/01/73/349650173.db2.gz IAYXQAHBBYRDNH-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@@H](Cc1ccoc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000449281875 282170546 /nfs/dbraw/zinc/17/05/46/282170546.db2.gz FVYLFNVAIPVKLT-GJZGRUSLSA-N 2 1 280.412 2.301 20 0 CEADMP C[C@@H](Cc1ccoc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000449281875 282170550 /nfs/dbraw/zinc/17/05/50/282170550.db2.gz FVYLFNVAIPVKLT-GJZGRUSLSA-N 2 1 280.412 2.301 20 0 CEADMP CCOc1cncc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000621719761 349676411 /nfs/dbraw/zinc/67/64/11/349676411.db2.gz VUBVSKVTEXVNOW-RDJZCZTQSA-N 2 1 289.423 2.396 20 0 CEADMP C[N@@H+](CCCNC(=O)CCC(C)(C)[NH3+])Cc1ccccc1 ZINC000070086477 539171801 /nfs/dbraw/zinc/17/18/01/539171801.db2.gz ZAJIKBQGARSSIU-UHFFFAOYSA-N 2 1 291.439 2.142 20 0 CEADMP C[C@@H](c1ccncc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000071711659 539180801 /nfs/dbraw/zinc/18/08/01/539180801.db2.gz PYURRIDCCXUORX-AWEZNQCLSA-N 2 1 268.364 2.360 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125948792 365691715 /nfs/dbraw/zinc/69/17/15/365691715.db2.gz ORACVWRELOAVQF-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CCn1nccc1CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000621776870 349699349 /nfs/dbraw/zinc/69/93/49/349699349.db2.gz YQLQFSSKHGCCSJ-INIZCTEOSA-N 2 1 290.455 2.157 20 0 CEADMP CCn1nccc1CC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000621774959 349696929 /nfs/dbraw/zinc/69/69/29/349696929.db2.gz BGMSPPCOQNODQM-UHFFFAOYSA-N 2 1 286.423 2.297 20 0 CEADMP CCn1nccc1CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000621775236 349698018 /nfs/dbraw/zinc/69/80/18/349698018.db2.gz JFYIQIKRYDONNH-CVEARBPZSA-N 2 1 290.455 2.157 20 0 CEADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000449349654 282196162 /nfs/dbraw/zinc/19/61/62/282196162.db2.gz XLHRNKQVTRQPTB-IIAWOOMASA-N 2 1 293.455 2.027 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000668676532 539234461 /nfs/dbraw/zinc/23/44/61/539234461.db2.gz BWFZLRDNQGUKOJ-ZIAGYGMSSA-N 2 1 268.364 2.418 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCC1CCOCC1 ZINC000449355119 282197790 /nfs/dbraw/zinc/19/77/90/282197790.db2.gz VTYCGBGINDTNJS-UHFFFAOYSA-N 2 1 277.412 2.444 20 0 CEADMP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cccc4cc[nH]c43)CC2)C1 ZINC000668740482 539256156 /nfs/dbraw/zinc/25/61/56/539256156.db2.gz IYOWKNOFBTXMIM-QGZVFWFLSA-N 2 1 299.418 2.199 20 0 CEADMP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3cccc4cc[nH]c43)CC2)C1 ZINC000668740482 539256157 /nfs/dbraw/zinc/25/61/57/539256157.db2.gz IYOWKNOFBTXMIM-QGZVFWFLSA-N 2 1 299.418 2.199 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000132901722 539270735 /nfs/dbraw/zinc/27/07/35/539270735.db2.gz LGKOTPZLURMFOO-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP C([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668817813 539277644 /nfs/dbraw/zinc/27/76/44/539277644.db2.gz AFGJVPKMVYGZDY-HYVNUMGLSA-N 2 1 278.440 2.266 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000311014992 539281660 /nfs/dbraw/zinc/28/16/60/539281660.db2.gz BATAFUGRYHVPPQ-UONOGXRCSA-N 3 1 255.450 2.035 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000311014992 539281661 /nfs/dbraw/zinc/28/16/61/539281661.db2.gz BATAFUGRYHVPPQ-UONOGXRCSA-N 3 1 255.450 2.035 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000567812368 299094651 /nfs/dbraw/zinc/09/46/51/299094651.db2.gz UMLPLSZARUDDMJ-MRXNPFEDSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000567812368 299094655 /nfs/dbraw/zinc/09/46/55/299094655.db2.gz UMLPLSZARUDDMJ-MRXNPFEDSA-N 2 1 277.412 2.473 20 0 CEADMP COC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559783756 539316461 /nfs/dbraw/zinc/31/64/61/539316461.db2.gz AGDVBDVCQRDZHK-BMFZPTHFSA-N 2 1 262.397 2.446 20 0 CEADMP COC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559783756 539316463 /nfs/dbraw/zinc/31/64/63/539316463.db2.gz AGDVBDVCQRDZHK-BMFZPTHFSA-N 2 1 262.397 2.446 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCOCC2CC2)CC1 ZINC000336695894 365763528 /nfs/dbraw/zinc/76/35/28/365763528.db2.gz FCAIVNAZXONGGS-UHFFFAOYSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nccs2)[C@H](C)C1 ZINC000127878646 365766158 /nfs/dbraw/zinc/76/61/58/365766158.db2.gz UKTODJRCOMVFKI-NEPJUHHUSA-N 2 1 253.415 2.006 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000336708250 365773220 /nfs/dbraw/zinc/77/32/20/365773220.db2.gz JRQBTEZUQHWTPK-MRXNPFEDSA-N 2 1 262.397 2.135 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCn2ccnc2C)C[C@@H](C)O1 ZINC000336717425 365780781 /nfs/dbraw/zinc/78/07/81/365780781.db2.gz TVGDSLFFIUVNMQ-TZMCWYRMSA-N 2 1 251.374 2.081 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC000336717425 365780789 /nfs/dbraw/zinc/78/07/89/365780789.db2.gz TVGDSLFFIUVNMQ-TZMCWYRMSA-N 2 1 251.374 2.081 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccncc2)C[C@H]1C ZINC000351518186 219112040 /nfs/dbraw/zinc/11/20/40/219112040.db2.gz LRTWZRWLZXQLFX-GDBMZVCRSA-N 2 1 261.413 2.429 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccncc2)C[C@H]1C ZINC000351518186 219112042 /nfs/dbraw/zinc/11/20/42/219112042.db2.gz LRTWZRWLZXQLFX-GDBMZVCRSA-N 2 1 261.413 2.429 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccncc2)C[C@H]1C ZINC000351518186 219112044 /nfs/dbraw/zinc/11/20/44/219112044.db2.gz LRTWZRWLZXQLFX-GDBMZVCRSA-N 2 1 261.413 2.429 20 0 CEADMP COc1cccc(C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000069754006 343790748 /nfs/dbraw/zinc/79/07/48/343790748.db2.gz LEOSMYMKBVMZEZ-UHFFFAOYSA-N 2 1 259.353 2.380 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc1)C1CC1 ZINC000449603971 282301390 /nfs/dbraw/zinc/30/13/90/282301390.db2.gz RZODYZPLMGTTKY-QWHCGFSZSA-N 2 1 289.423 2.136 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000228858132 539361426 /nfs/dbraw/zinc/36/14/26/539361426.db2.gz FKIQYYOMFRRMSG-CVEARBPZSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000228858132 539361430 /nfs/dbraw/zinc/36/14/30/539361430.db2.gz FKIQYYOMFRRMSG-CVEARBPZSA-N 2 1 259.397 2.354 20 0 CEADMP COCCNc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000127004843 187276095 /nfs/dbraw/zinc/27/60/95/187276095.db2.gz NNCKFRLGYBXKLJ-PBHICJAKSA-N 2 1 291.439 2.317 20 0 CEADMP CC(C)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CC1 ZINC000128633142 365799543 /nfs/dbraw/zinc/79/95/43/365799543.db2.gz LXBQRQBYOALNOL-MRXNPFEDSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1CC[NH+](C)CC1 ZINC000081257282 344043596 /nfs/dbraw/zinc/04/35/96/344043596.db2.gz UQZXFPWQQFFOIZ-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(C)cc1 ZINC000351574516 219131488 /nfs/dbraw/zinc/13/14/88/219131488.db2.gz OXHLJGFDYKKDDT-SJORKVTESA-N 2 1 276.424 2.491 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(C)cc1 ZINC000351574516 219131492 /nfs/dbraw/zinc/13/14/92/219131492.db2.gz OXHLJGFDYKKDDT-SJORKVTESA-N 2 1 276.424 2.491 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc([S@](C)=O)cc2)CC1 ZINC000085298685 344093534 /nfs/dbraw/zinc/09/35/34/344093534.db2.gz WHRLPECCIQUGLH-HXUWFJFHSA-N 2 1 294.464 2.388 20 0 CEADMP CCc1ccc([C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)C)cc1 ZINC000091334542 344161637 /nfs/dbraw/zinc/16/16/37/344161637.db2.gz NAAOSJHDHCGMIE-SJORKVTESA-N 2 1 278.440 2.458 20 0 CEADMP C[N@@H+](CCCN[C@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000093209737 344216257 /nfs/dbraw/zinc/21/62/57/344216257.db2.gz SGIDENLHQQOGLZ-IRXDYDNUSA-N 2 1 275.440 2.368 20 0 CEADMP C[N@H+](CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000093209737 344216259 /nfs/dbraw/zinc/21/62/59/344216259.db2.gz SGIDENLHQQOGLZ-IRXDYDNUSA-N 3 1 275.440 2.368 20 0 CEADMP C[N@@H+](CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000093209737 344216260 /nfs/dbraw/zinc/21/62/60/344216260.db2.gz SGIDENLHQQOGLZ-IRXDYDNUSA-N 3 1 275.440 2.368 20 0 CEADMP C[N@@H+](CCCO)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820972 344204707 /nfs/dbraw/zinc/20/47/07/344204707.db2.gz SXLRGLJRVSILKM-UHFFFAOYSA-N 2 1 277.412 2.002 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC000414861235 529970990 /nfs/dbraw/zinc/97/09/90/529970990.db2.gz RPZXYICRCAAYLE-UHFFFAOYSA-N 2 1 276.359 2.019 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000236711546 344597308 /nfs/dbraw/zinc/59/73/08/344597308.db2.gz MDFBNXLTURCYCA-INIZCTEOSA-N 2 1 291.439 2.315 20 0 CEADMP Cc1ccc(OCCC[N@H+]2CC[C@@H](C[NH3+])C2)cc1C ZINC000050246998 362413018 /nfs/dbraw/zinc/41/30/18/362413018.db2.gz VJGBONFNJBGPBS-HNNXBMFYSA-N 2 1 262.397 2.353 20 0 CEADMP C[C@H](CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000312923860 344740242 /nfs/dbraw/zinc/74/02/42/344740242.db2.gz MVQMOPKBWHQBEF-PBHICJAKSA-N 2 1 276.424 2.225 20 0 CEADMP C[C@H](CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000312923860 344740244 /nfs/dbraw/zinc/74/02/44/344740244.db2.gz MVQMOPKBWHQBEF-PBHICJAKSA-N 2 1 276.424 2.225 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000449778277 282364431 /nfs/dbraw/zinc/36/44/31/282364431.db2.gz BGHOUZRHGCQNQF-LSDHHAIUSA-N 2 1 265.445 2.077 20 0 CEADMP CC1(C)CCC[NH+]1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449778277 282364434 /nfs/dbraw/zinc/36/44/34/282364434.db2.gz BGHOUZRHGCQNQF-LSDHHAIUSA-N 2 1 265.445 2.077 20 0 CEADMP CC1(C)CCC[NH+]1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449778277 282364438 /nfs/dbraw/zinc/36/44/38/282364438.db2.gz BGHOUZRHGCQNQF-LSDHHAIUSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@H](Nc1cc[nH+]cc1Br)C1CC[NH+](C)CC1 ZINC000396447451 344846946 /nfs/dbraw/zinc/84/69/46/344846946.db2.gz FUTCPRBBESVEQH-JTQLQIEISA-N 2 1 298.228 2.408 20 0 CEADMP C1CC1[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CO1 ZINC000668095421 539413486 /nfs/dbraw/zinc/41/34/86/539413486.db2.gz IVYYJSQSYIQEEU-BHDPWAOGSA-N 2 1 264.413 2.160 20 0 CEADMP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550681390 539416540 /nfs/dbraw/zinc/41/65/40/539416540.db2.gz ZARUBWCWTXVABP-BBWFWOEESA-N 2 1 276.424 2.428 20 0 CEADMP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550681390 539416547 /nfs/dbraw/zinc/41/65/47/539416547.db2.gz ZARUBWCWTXVABP-BBWFWOEESA-N 2 1 276.424 2.428 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000584662681 344974907 /nfs/dbraw/zinc/97/49/07/344974907.db2.gz HJYWHJQJSDWVEG-CZUORRHYSA-N 2 1 284.407 2.492 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000584662681 344974909 /nfs/dbraw/zinc/97/49/09/344974909.db2.gz HJYWHJQJSDWVEG-CZUORRHYSA-N 2 1 284.407 2.492 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CC(C)C ZINC000568165325 299118524 /nfs/dbraw/zinc/11/85/24/299118524.db2.gz LAYVZWRFISTEBI-CABCVRRESA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1CC(C)C ZINC000568165325 299118527 /nfs/dbraw/zinc/11/85/27/299118527.db2.gz LAYVZWRFISTEBI-CABCVRRESA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1CC(C)C ZINC000568165325 299118530 /nfs/dbraw/zinc/11/85/30/299118530.db2.gz LAYVZWRFISTEBI-CABCVRRESA-N 2 1 256.434 2.200 20 0 CEADMP COC(=O)c1csc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000591578398 345265829 /nfs/dbraw/zinc/26/58/29/345265829.db2.gz YVQYVGNYJZADNR-ZYHUDNBSSA-N 2 1 282.409 2.327 20 0 CEADMP CC[C@H](CSC)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000591758236 345277540 /nfs/dbraw/zinc/27/75/40/345277540.db2.gz JDYHBDUHSYXBBR-CVEARBPZSA-N 2 1 296.480 2.211 20 0 CEADMP CC[C@H](CSC)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000591758236 345277544 /nfs/dbraw/zinc/27/75/44/345277544.db2.gz JDYHBDUHSYXBBR-CVEARBPZSA-N 2 1 296.480 2.211 20 0 CEADMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591866981 345289776 /nfs/dbraw/zinc/28/97/76/345289776.db2.gz LHPBHTONORIDPF-UKRRQHHQSA-N 2 1 292.427 2.213 20 0 CEADMP CCC(CC)NC(=O)[C@@H](C)N1CCC[C@@H](n2ccnc2)C1 ZINC000591866981 345289777 /nfs/dbraw/zinc/28/97/77/345289777.db2.gz LHPBHTONORIDPF-UKRRQHHQSA-N 2 1 292.427 2.213 20 0 CEADMP Oc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093598007 232183924 /nfs/dbraw/zinc/18/39/24/232183924.db2.gz WIXJPAMZLNOPHE-OAHLLOKOSA-N 2 1 260.381 2.310 20 0 CEADMP Oc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093598007 232183927 /nfs/dbraw/zinc/18/39/27/232183927.db2.gz WIXJPAMZLNOPHE-OAHLLOKOSA-N 2 1 260.381 2.310 20 0 CEADMP C[N@H+](C[C@@H]1CCC2(CCCC2)O1)[C@@H](C[NH3+])C1CC1 ZINC000229371250 539465720 /nfs/dbraw/zinc/46/57/20/539465720.db2.gz JOGAJPIOYBNUCI-KBPBESRZSA-N 2 1 252.402 2.147 20 0 CEADMP C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)[C@@H](C[NH3+])C1CC1 ZINC000229371250 539465723 /nfs/dbraw/zinc/46/57/23/539465723.db2.gz JOGAJPIOYBNUCI-KBPBESRZSA-N 2 1 252.402 2.147 20 0 CEADMP COC(=O)c1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(C)o1 ZINC000594607550 345659847 /nfs/dbraw/zinc/65/98/47/345659847.db2.gz WYTNXRWQWYQDIX-CYBMUJFWSA-N 2 1 294.395 2.195 20 0 CEADMP COC(=O)c1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(C)o1 ZINC000594607550 345659848 /nfs/dbraw/zinc/65/98/48/345659848.db2.gz WYTNXRWQWYQDIX-CYBMUJFWSA-N 2 1 294.395 2.195 20 0 CEADMP CC(C)(C)[C@@H](CCO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594499606 345639274 /nfs/dbraw/zinc/63/92/74/345639274.db2.gz HLYWFHNENWIDKZ-JKSUJKDBSA-N 2 1 298.471 2.017 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000594514309 345641678 /nfs/dbraw/zinc/64/16/78/345641678.db2.gz NSXISRJMHGRAKN-MCIONIFRSA-N 2 1 284.444 2.284 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000058359410 362625190 /nfs/dbraw/zinc/62/51/90/362625190.db2.gz HGHGEOIKKYIYOY-ZDUSSCGKSA-N 2 1 278.396 2.135 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000058359410 362625192 /nfs/dbraw/zinc/62/51/92/362625192.db2.gz HGHGEOIKKYIYOY-ZDUSSCGKSA-N 2 1 278.396 2.135 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000594917071 345700922 /nfs/dbraw/zinc/70/09/22/345700922.db2.gz GTXHJGQIFDGPNG-VNAATALASA-N 2 1 296.455 2.140 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000594917071 345700923 /nfs/dbraw/zinc/70/09/23/345700923.db2.gz GTXHJGQIFDGPNG-VNAATALASA-N 2 1 296.455 2.140 20 0 CEADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000595008240 345725358 /nfs/dbraw/zinc/72/53/58/345725358.db2.gz STVCASGSHUTWAE-KBPBESRZSA-N 2 1 296.455 2.428 20 0 CEADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000595008242 345725471 /nfs/dbraw/zinc/72/54/71/345725471.db2.gz STVCASGSHUTWAE-UONOGXRCSA-N 2 1 296.455 2.428 20 0 CEADMP C[C@H](CSCCF)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000595011305 345726155 /nfs/dbraw/zinc/72/61/55/345726155.db2.gz LYLKDGOEKNSLSH-AGIUHOORSA-N 2 1 260.422 2.294 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CSCCF)C1 ZINC000595020680 345729083 /nfs/dbraw/zinc/72/90/83/345729083.db2.gz ZDUYHYGRYRZUDP-OLZOCXBDSA-N 2 1 262.438 2.399 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)CC1 ZINC000595062698 345737252 /nfs/dbraw/zinc/73/72/52/345737252.db2.gz OGBNHGNJYOHIGX-SPYBWZPUSA-N 2 1 286.485 2.139 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cs1 ZINC000595892659 345908893 /nfs/dbraw/zinc/90/88/93/345908893.db2.gz NZLDOBPNDZQZJN-LBPRGKRZSA-N 2 1 282.409 2.012 20 0 CEADMP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900248 345910330 /nfs/dbraw/zinc/91/03/30/345910330.db2.gz CEXCKYCMMTUHOJ-HZPDHXFCSA-N 2 1 296.455 2.430 20 0 CEADMP CC(C)SCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595907801 345911041 /nfs/dbraw/zinc/91/10/41/345911041.db2.gz YOIMKVWLDGQLQI-AWEZNQCLSA-N 2 1 274.474 2.171 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCc2c[nH+]cn2C)C1(C)C ZINC000516580500 313091997 /nfs/dbraw/zinc/09/19/97/313091997.db2.gz JKSVRDGNRFWKIB-KWCYVHTRSA-N 2 1 265.401 2.002 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+]CC2([NH3+])CCCC2)c1 ZINC000596648284 346071470 /nfs/dbraw/zinc/07/14/70/346071470.db2.gz ODITWHHHHANGBJ-JTQLQIEISA-N 2 1 282.409 2.457 20 0 CEADMP COC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC1 ZINC000311211128 201887295 /nfs/dbraw/zinc/88/72/95/201887295.db2.gz LILCZTFOPQORSR-UHFFFAOYSA-N 2 1 252.402 2.162 20 0 CEADMP CCC[NH+]1CCC([N@H+](C)CCn2cc(Cl)cn2)CC1 ZINC000459360535 290126466 /nfs/dbraw/zinc/12/64/66/290126466.db2.gz OQLMYLNKTIWRAT-UHFFFAOYSA-N 2 1 284.835 2.343 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCn2cc(Cl)cn2)CC1 ZINC000459360535 290126468 /nfs/dbraw/zinc/12/64/68/290126468.db2.gz OQLMYLNKTIWRAT-UHFFFAOYSA-N 2 1 284.835 2.343 20 0 CEADMP C[NH+]1CCC([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC000060717449 362668335 /nfs/dbraw/zinc/66/83/35/362668335.db2.gz BAJUZDURVMPFDX-UHFFFAOYSA-N 2 1 254.324 2.191 20 0 CEADMP COC(=O)CC1CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000599029101 346449165 /nfs/dbraw/zinc/44/91/65/346449165.db2.gz ZAHYOBGFTHDRSF-SHARSMKWSA-N 2 1 282.428 2.040 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC(=O)OC)C[C@H]1C ZINC000599312612 346497772 /nfs/dbraw/zinc/49/77/72/346497772.db2.gz ANFADICFKSWVHE-KGLIPLIRSA-N 2 1 270.417 2.134 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC(=O)OC)C[C@H]1C ZINC000599312612 346497773 /nfs/dbraw/zinc/49/77/73/346497773.db2.gz ANFADICFKSWVHE-KGLIPLIRSA-N 2 1 270.417 2.134 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC(=O)OC)C[C@H]1C ZINC000599312612 346497774 /nfs/dbraw/zinc/49/77/74/346497774.db2.gz ANFADICFKSWVHE-KGLIPLIRSA-N 2 1 270.417 2.134 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000336797976 365822963 /nfs/dbraw/zinc/82/29/63/365822963.db2.gz CFKMYFGWFWOGCX-JKSUJKDBSA-N 2 1 265.445 2.031 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)[C@H]1SC ZINC000600191585 346619880 /nfs/dbraw/zinc/61/98/80/346619880.db2.gz RAYWOYJIJYTPGT-BYNSBNAKSA-N 2 1 286.485 2.217 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(C)n1 ZINC000336799335 365826545 /nfs/dbraw/zinc/82/65/45/365826545.db2.gz IGZDIQZPKCRTKL-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(C)n1 ZINC000336799335 365826548 /nfs/dbraw/zinc/82/65/48/365826548.db2.gz IGZDIQZPKCRTKL-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000336800316 365827684 /nfs/dbraw/zinc/82/76/84/365827684.db2.gz LSELKWZXLFSLDV-LSDHHAIUSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000336800316 365827689 /nfs/dbraw/zinc/82/76/89/365827689.db2.gz LSELKWZXLFSLDV-LSDHHAIUSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1cccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000129205607 365834826 /nfs/dbraw/zinc/83/48/26/365834826.db2.gz UKVLAIOBMMITRZ-QGZVFWFLSA-N 2 1 274.408 2.149 20 0 CEADMP CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000129194065 365835773 /nfs/dbraw/zinc/83/57/73/365835773.db2.gz VSLILPFETIDYAO-IRXDYDNUSA-N 2 1 288.435 2.400 20 0 CEADMP CC(C)[C@@H](Cn1cccn1)[NH2+]CCC[N@@H+](C)C(C)C ZINC000336810198 365848248 /nfs/dbraw/zinc/84/82/48/365848248.db2.gz YWDMCYZYBRRYHY-OAHLLOKOSA-N 2 1 266.433 2.228 20 0 CEADMP COC1(C)CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000336816286 365859080 /nfs/dbraw/zinc/85/90/80/365859080.db2.gz LJJXRRHLDMNEGK-UHFFFAOYSA-N 2 1 265.401 2.473 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)NCCCC[NH3+])cc1)C(C)C ZINC000236923337 370656308 /nfs/dbraw/zinc/65/63/08/370656308.db2.gz WBUAWILJZRZMPL-UHFFFAOYSA-N 2 1 291.439 2.386 20 0 CEADMP Cc1oncc1C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000129556070 365871712 /nfs/dbraw/zinc/87/17/12/365871712.db2.gz JUIJUBSFMMISMO-CYBMUJFWSA-N 2 1 274.368 2.171 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000568511573 299141147 /nfs/dbraw/zinc/14/11/47/299141147.db2.gz YNMQGOXDZRBHBL-NWDGAFQWSA-N 2 1 258.369 2.292 20 0 CEADMP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336824436 365879823 /nfs/dbraw/zinc/87/98/23/365879823.db2.gz UTFWZDUAKLRPMX-NSHDSACASA-N 2 1 278.400 2.282 20 0 CEADMP C[C@H]1C[C@@H](NCC2([NH+](C)C)CCCCC2)CC[N@H+]1C ZINC000129685681 365886152 /nfs/dbraw/zinc/88/61/52/365886152.db2.gz ORTGYUXYFSLOLB-GJZGRUSLSA-N 3 1 267.461 2.323 20 0 CEADMP CO[C@H]1CC[N@H+](CCCCC2CCOCC2)[C@H](C[NH3+])C1 ZINC000336831893 365896466 /nfs/dbraw/zinc/89/64/66/365896466.db2.gz SEUSABZEZNSECT-HOTGVXAUSA-N 2 1 284.444 2.021 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCCC2CCOCC2)[C@H](C[NH3+])C1 ZINC000336831893 365896474 /nfs/dbraw/zinc/89/64/74/365896474.db2.gz SEUSABZEZNSECT-HOTGVXAUSA-N 2 1 284.444 2.021 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCc2cnn(C)c2)C1 ZINC000608508667 347598908 /nfs/dbraw/zinc/59/89/08/347598908.db2.gz VXBZESIOZYHJJQ-INIZCTEOSA-N 2 1 278.444 2.016 20 0 CEADMP CO[C@H]1CC[N@H+](CCCCC2CCOCC2)[C@@H](C[NH3+])C1 ZINC000336831892 365897417 /nfs/dbraw/zinc/89/74/17/365897417.db2.gz SEUSABZEZNSECT-CVEARBPZSA-N 2 1 284.444 2.021 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCCC2CCOCC2)[C@@H](C[NH3+])C1 ZINC000336831892 365897420 /nfs/dbraw/zinc/89/74/20/365897420.db2.gz SEUSABZEZNSECT-CVEARBPZSA-N 2 1 284.444 2.021 20 0 CEADMP C[C@H]1C[C@H](NCCC[NH+]2CCCCC2)C[N@H+]1C1CC1 ZINC000128624334 187380486 /nfs/dbraw/zinc/38/04/86/187380486.db2.gz RLOWRELSFAMKHO-GJZGRUSLSA-N 2 1 265.445 2.077 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334213086 539587557 /nfs/dbraw/zinc/58/75/57/539587557.db2.gz DTNGMIIQZRGUIO-KRWDZBQOSA-N 2 1 273.424 2.328 20 0 CEADMP CC(C)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000614963153 348261249 /nfs/dbraw/zinc/26/12/49/348261249.db2.gz XBXRANHJRKGZSI-HOTGVXAUSA-N 2 1 267.461 2.131 20 0 CEADMP FC(F)Oc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357061230 233001564 /nfs/dbraw/zinc/00/15/64/233001564.db2.gz ZUWWTBYSUMXYCI-QWHCGFSZSA-N 2 1 282.334 2.329 20 0 CEADMP FC(F)Oc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357061230 233001567 /nfs/dbraw/zinc/00/15/67/233001567.db2.gz ZUWWTBYSUMXYCI-QWHCGFSZSA-N 2 1 282.334 2.329 20 0 CEADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)CC[NH+]1CCCC[C@@H]1C ZINC000456376978 539632714 /nfs/dbraw/zinc/63/27/14/539632714.db2.gz LHEOGAVXYDWZHH-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[NH+](CC)CCN1C(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000456376978 539632716 /nfs/dbraw/zinc/63/27/16/539632716.db2.gz LHEOGAVXYDWZHH-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[NH+](CC)CCN1C(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000456376978 539632718 /nfs/dbraw/zinc/63/27/18/539632718.db2.gz LHEOGAVXYDWZHH-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP COc1ccc(C[NH2+]CCC[NH+](C)C)cc1OC1CC1 ZINC000623336952 349991718 /nfs/dbraw/zinc/99/17/18/349991718.db2.gz OHOPLYDEJGJLLM-UHFFFAOYSA-N 2 1 278.396 2.278 20 0 CEADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)CCCC1 ZINC000623342494 349993354 /nfs/dbraw/zinc/99/33/54/349993354.db2.gz CKHBIVXBAJKCEP-CQSZACIVSA-N 2 1 267.461 2.323 20 0 CEADMP c1[nH]nc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c12 ZINC000623361158 349999191 /nfs/dbraw/zinc/99/91/91/349999191.db2.gz PJAHRPNECNOGJP-UONOGXRCSA-N 2 1 270.380 2.279 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000616996578 348602390 /nfs/dbraw/zinc/60/23/90/348602390.db2.gz KYELXUFCTYBGFL-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616996578 348602394 /nfs/dbraw/zinc/60/23/94/348602394.db2.gz KYELXUFCTYBGFL-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616996578 348602398 /nfs/dbraw/zinc/60/23/98/348602398.db2.gz KYELXUFCTYBGFL-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339073722 539657910 /nfs/dbraw/zinc/65/79/10/539657910.db2.gz DSTIUNKVSJSSMD-ZACQAIPSSA-N 2 1 279.472 2.467 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339073722 539657912 /nfs/dbraw/zinc/65/79/12/539657912.db2.gz DSTIUNKVSJSSMD-ZACQAIPSSA-N 2 1 279.472 2.467 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339073722 539657916 /nfs/dbraw/zinc/65/79/16/539657916.db2.gz DSTIUNKVSJSSMD-ZACQAIPSSA-N 2 1 279.472 2.467 20 0 CEADMP O=C(CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Nc1ccccc1 ZINC000339076639 539658271 /nfs/dbraw/zinc/65/82/71/539658271.db2.gz WEAHTSSTWBMRAS-HOTGVXAUSA-N 2 1 287.407 2.232 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000617502568 348717288 /nfs/dbraw/zinc/71/72/88/348717288.db2.gz UYFWMBCWMAWICI-HRCADAONSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000617502568 348717290 /nfs/dbraw/zinc/71/72/90/348717290.db2.gz UYFWMBCWMAWICI-HRCADAONSA-N 2 1 297.487 2.201 20 0 CEADMP CN(CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339069502 539659967 /nfs/dbraw/zinc/65/99/67/539659967.db2.gz WFGOIQNWABASEI-RDJZCZTQSA-N 2 1 273.424 2.339 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339226640 539661823 /nfs/dbraw/zinc/66/18/23/539661823.db2.gz ISAMRTPPVCTIOQ-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC[NH+]1CCCC[C@@H]1C ZINC000339286049 539690677 /nfs/dbraw/zinc/69/06/77/539690677.db2.gz WTNGRFBTJZLVII-PMPSAXMXSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000339286049 539690683 /nfs/dbraw/zinc/69/06/83/539690683.db2.gz WTNGRFBTJZLVII-PMPSAXMXSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000339286049 539690689 /nfs/dbraw/zinc/69/06/89/539690689.db2.gz WTNGRFBTJZLVII-PMPSAXMXSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCCF)C1 ZINC000352015246 219291423 /nfs/dbraw/zinc/29/14/23/219291423.db2.gz PSIJOXKZDNGDFO-CQSZACIVSA-N 2 1 260.397 2.169 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2CC(OCC)C2)C1 ZINC000352027799 219293148 /nfs/dbraw/zinc/29/31/48/219293148.db2.gz PDOAVMFUECBTBR-FHERZECASA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2CC(OCC)C2)C1 ZINC000352027799 219293150 /nfs/dbraw/zinc/29/31/50/219293150.db2.gz PDOAVMFUECBTBR-FHERZECASA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2CC(OCC)C2)C1 ZINC000352027799 219293153 /nfs/dbraw/zinc/29/31/53/219293153.db2.gz PDOAVMFUECBTBR-FHERZECASA-N 2 1 268.445 2.465 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1O ZINC000411441260 233247866 /nfs/dbraw/zinc/24/78/66/233247866.db2.gz PGWVLTHGYKUEEP-MAUKXSAKSA-N 2 1 288.435 2.485 20 0 CEADMP C[N@H+]1CC[C@H](NCc2cn3ccsc3n2)CC1(C)C ZINC000623378638 350004415 /nfs/dbraw/zinc/00/44/15/350004415.db2.gz JQTOZKWBSLUTHC-NSHDSACASA-N 2 1 278.425 2.358 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2-n2cncn2)C1 ZINC000623656613 350076523 /nfs/dbraw/zinc/07/65/23/350076523.db2.gz YKOFXQCTGJLLHX-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP CCO[C@@H]1C[C@@](CO)([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1(C)C ZINC000623502467 350036519 /nfs/dbraw/zinc/03/65/19/350036519.db2.gz KVCCDRXYZJVPSH-CPUCHLNUSA-N 2 1 298.471 2.015 20 0 CEADMP CO[C@H](CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(F)(F)F ZINC000623504696 350036539 /nfs/dbraw/zinc/03/65/39/350036539.db2.gz ZSLCYXCRHFLYEZ-WDEREUQCSA-N 2 1 282.350 2.416 20 0 CEADMP Cc1ccc(C[C@@H](CO)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623504591 350036606 /nfs/dbraw/zinc/03/66/06/350036606.db2.gz VICBAOPRICRISZ-IRXDYDNUSA-N 2 1 290.451 2.361 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCOC(F)F)CC1(C)C ZINC000623515778 350039351 /nfs/dbraw/zinc/03/93/51/350039351.db2.gz PGGMTDAQXFNLRL-SNVBAGLBSA-N 2 1 250.333 2.078 20 0 CEADMP COCC1(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623556794 350049840 /nfs/dbraw/zinc/04/98/40/350049840.db2.gz YQDVBAXHSFNBOD-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc(OC)c1 ZINC000090720855 180031150 /nfs/dbraw/zinc/03/11/50/180031150.db2.gz CQLWSVPPHMESMC-TZMCWYRMSA-N 2 1 278.396 2.276 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(OC)c1 ZINC000090720855 180031152 /nfs/dbraw/zinc/03/11/52/180031152.db2.gz CQLWSVPPHMESMC-TZMCWYRMSA-N 2 1 278.396 2.276 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000091354229 180138329 /nfs/dbraw/zinc/13/83/29/180138329.db2.gz JTGIQBYYYNRTRX-KBAYOESNSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000091354229 180138330 /nfs/dbraw/zinc/13/83/30/180138330.db2.gz JTGIQBYYYNRTRX-KBAYOESNSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000091354229 180138333 /nfs/dbraw/zinc/13/83/33/180138333.db2.gz JTGIQBYYYNRTRX-KBAYOESNSA-N 2 1 287.451 2.333 20 0 CEADMP COCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000271329234 191076858 /nfs/dbraw/zinc/07/68/58/191076858.db2.gz MWFDJDYEVWSPSA-CZUORRHYSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000271329234 191076860 /nfs/dbraw/zinc/07/68/60/191076860.db2.gz MWFDJDYEVWSPSA-CZUORRHYSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)o1 ZINC000271329234 191076862 /nfs/dbraw/zinc/07/68/62/191076862.db2.gz MWFDJDYEVWSPSA-CZUORRHYSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)o1 ZINC000271329234 191076864 /nfs/dbraw/zinc/07/68/64/191076864.db2.gz MWFDJDYEVWSPSA-CZUORRHYSA-N 2 1 278.396 2.342 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000624124026 350200764 /nfs/dbraw/zinc/20/07/64/350200764.db2.gz VRBMVMKUWNLGAN-ZIAGYGMSSA-N 2 1 262.401 2.040 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000624124026 350200767 /nfs/dbraw/zinc/20/07/67/350200767.db2.gz VRBMVMKUWNLGAN-ZIAGYGMSSA-N 2 1 262.401 2.040 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@]1(C)CCCO1 ZINC000624124037 350201515 /nfs/dbraw/zinc/20/15/15/350201515.db2.gz VSOCIONUTRZFSN-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000091666217 180222066 /nfs/dbraw/zinc/22/20/66/180222066.db2.gz LHWKUKGNNURFIJ-OIISXLGYSA-N 2 1 274.408 2.243 20 0 CEADMP C[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000091666217 180222068 /nfs/dbraw/zinc/22/20/68/180222068.db2.gz LHWKUKGNNURFIJ-OIISXLGYSA-N 2 1 274.408 2.243 20 0 CEADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000412136971 233348225 /nfs/dbraw/zinc/34/82/25/233348225.db2.gz VPXKYRFDRLKYNI-YXMSTPNBSA-N 2 1 295.471 2.046 20 0 CEADMP CCc1nc(C[N@@H+](C)C2CCC([NH3+])CC2)cs1 ZINC000091847149 180270097 /nfs/dbraw/zinc/27/00/97/180270097.db2.gz GIVIBHQFHWWFGL-UHFFFAOYSA-N 2 1 253.415 2.407 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOc2ccccc2OC)CC[C@@H]1[NH3+] ZINC000147458993 539795644 /nfs/dbraw/zinc/79/56/44/539795644.db2.gz PCYAWGMLUGLNDD-KGLIPLIRSA-N 2 1 278.396 2.133 20 0 CEADMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000092253755 180352861 /nfs/dbraw/zinc/35/28/61/180352861.db2.gz KTCCYUVVBNLDQN-HNNXBMFYSA-N 2 1 292.423 2.477 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000092253755 180352863 /nfs/dbraw/zinc/35/28/63/180352863.db2.gz KTCCYUVVBNLDQN-HNNXBMFYSA-N 2 1 292.423 2.477 20 0 CEADMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000092253755 180352864 /nfs/dbraw/zinc/35/28/64/180352864.db2.gz KTCCYUVVBNLDQN-HNNXBMFYSA-N 2 1 292.423 2.477 20 0 CEADMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000092253755 180352867 /nfs/dbraw/zinc/35/28/67/180352867.db2.gz KTCCYUVVBNLDQN-HNNXBMFYSA-N 2 1 292.423 2.477 20 0 CEADMP C([NH+](C1CC1)C1CC1)C1(C[NH+](C2CC2)C2CC2)COC1 ZINC000625842448 350585069 /nfs/dbraw/zinc/58/50/69/350585069.db2.gz JZYNKEXMPNNAGD-UHFFFAOYSA-N 2 1 276.424 2.257 20 0 CEADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000110115602 186285892 /nfs/dbraw/zinc/28/58/92/186285892.db2.gz GUTWNCCAXQAFJZ-SFHVURJKSA-N 2 1 287.451 2.289 20 0 CEADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000110115602 186285893 /nfs/dbraw/zinc/28/58/93/186285893.db2.gz GUTWNCCAXQAFJZ-SFHVURJKSA-N 2 1 287.451 2.289 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000110649012 186310290 /nfs/dbraw/zinc/31/02/90/186310290.db2.gz JSFIFWVXRXQPBB-NSHDSACASA-N 2 1 295.814 2.338 20 0 CEADMP C[N@@H+](CCN1CC[NH+](CCCF)CC1)Cc1ccccc1 ZINC000130724926 365983947 /nfs/dbraw/zinc/98/39/47/365983947.db2.gz DGYOYXTXZWLNJE-UHFFFAOYSA-N 2 1 293.430 2.096 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000130899483 366003584 /nfs/dbraw/zinc/00/35/84/366003584.db2.gz QSPRREOLNBFPGD-STQMWFEESA-N 2 1 278.396 2.354 20 0 CEADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCCOC1 ZINC000111179209 186366740 /nfs/dbraw/zinc/36/67/40/186366740.db2.gz UTSNRYKXSOIYDV-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2cncn2C)C[C@@H]1C ZINC000568996303 299173904 /nfs/dbraw/zinc/17/39/04/299173904.db2.gz DMWRWYUEWNPSJH-GJZGRUSLSA-N 3 1 278.444 2.157 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2cncn2C)C[C@@H]1C ZINC000568996303 299173906 /nfs/dbraw/zinc/17/39/06/299173906.db2.gz DMWRWYUEWNPSJH-GJZGRUSLSA-N 3 1 278.444 2.157 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2cncn2C)C[C@@H]1C ZINC000568996303 299173908 /nfs/dbraw/zinc/17/39/08/299173908.db2.gz DMWRWYUEWNPSJH-GJZGRUSLSA-N 3 1 278.444 2.157 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3n[nH]cc32)CC1 ZINC000628128616 350971035 /nfs/dbraw/zinc/97/10/35/350971035.db2.gz NYIXOAVWWVSQID-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3n[nH]cc32)CC1 ZINC000628128616 350971036 /nfs/dbraw/zinc/97/10/36/350971036.db2.gz NYIXOAVWWVSQID-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1c[nH]nc1-c1c(F)cccc1F ZINC000569003553 299174717 /nfs/dbraw/zinc/17/47/17/299174717.db2.gz NONLKBMOBUYNED-UHFFFAOYSA-N 2 1 280.322 2.136 20 0 CEADMP Cc1nc(C)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)o1 ZINC000628281067 351040216 /nfs/dbraw/zinc/04/02/16/351040216.db2.gz YMOIEOBYUVBVHH-KGLIPLIRSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)o1 ZINC000628281067 351040218 /nfs/dbraw/zinc/04/02/18/351040218.db2.gz YMOIEOBYUVBVHH-KGLIPLIRSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000628281067 351040219 /nfs/dbraw/zinc/04/02/19/351040219.db2.gz YMOIEOBYUVBVHH-KGLIPLIRSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000628281067 351040221 /nfs/dbraw/zinc/04/02/21/351040221.db2.gz YMOIEOBYUVBVHH-KGLIPLIRSA-N 2 1 263.385 2.208 20 0 CEADMP CN(CCC[N@@H+](C)C[C@@]1(C)CCCS1)CC[NH+](C)C ZINC000628283542 351041058 /nfs/dbraw/zinc/04/10/58/351041058.db2.gz ZXURTNRNERCBQT-OAHLLOKOSA-N 2 1 287.517 2.087 20 0 CEADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000629543764 351405094 /nfs/dbraw/zinc/40/50/94/351405094.db2.gz AYRARHUTYCYGIL-LQKXBSAESA-N 2 1 259.397 2.448 20 0 CEADMP Cc1ccc(C(C)(C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)nc1 ZINC000629524311 351390545 /nfs/dbraw/zinc/39/05/45/351390545.db2.gz RFCVZKLIZDJWHZ-KBPBESRZSA-N 2 1 261.413 2.398 20 0 CEADMP Cc1ccc2ncc(C[N@@H+]3CCCO[C@@H](C[NH3+])C3)cc2c1 ZINC000629535470 351398348 /nfs/dbraw/zinc/39/83/48/351398348.db2.gz DCGSDEYBIOYMTL-INIZCTEOSA-N 2 1 285.391 2.093 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CCCO[C@@H](C[NH3+])C3)cc2c1 ZINC000629535470 351398349 /nfs/dbraw/zinc/39/83/49/351398349.db2.gz DCGSDEYBIOYMTL-INIZCTEOSA-N 2 1 285.391 2.093 20 0 CEADMP CCO[C@H](C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C1CC1 ZINC000629534767 351398510 /nfs/dbraw/zinc/39/85/10/351398510.db2.gz AWSZBPMCTGUMQT-DZGCQCFKSA-N 2 1 266.429 2.266 20 0 CEADMP CO[C@@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1ccc(F)cc1 ZINC000629537031 351399365 /nfs/dbraw/zinc/39/93/65/351399365.db2.gz MZBLTEWNYPRNEE-KBPBESRZSA-N 2 1 268.376 2.476 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000629536408 351399887 /nfs/dbraw/zinc/39/98/87/351399887.db2.gz JZBJCDFVZMVYBW-GJZGRUSLSA-N 2 1 254.418 2.299 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cccc(C3CC3)c2)CCOCC1 ZINC000629389981 351347123 /nfs/dbraw/zinc/34/71/23/351347123.db2.gz ZOZGMANRQAXNPK-UHFFFAOYSA-N 2 1 260.381 2.162 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1(C)C ZINC000629542983 351403585 /nfs/dbraw/zinc/40/35/85/351403585.db2.gz QJQKSLJTEVJIJN-RQJABVFESA-N 2 1 254.418 2.309 20 0 CEADMP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000629408518 351354626 /nfs/dbraw/zinc/35/46/26/351354626.db2.gz WGRZSGQINWSDDI-UOVPBQLFSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000629408515 351355029 /nfs/dbraw/zinc/35/50/29/351355029.db2.gz WGRZSGQINWSDDI-CWLKWCNXSA-N 2 1 287.451 2.380 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629596436 351427117 /nfs/dbraw/zinc/42/71/17/351427117.db2.gz ZHYIUNJGWTUJFX-IYBDPMFKSA-N 2 1 260.381 2.127 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629596436 351427120 /nfs/dbraw/zinc/42/71/20/351427120.db2.gz ZHYIUNJGWTUJFX-IYBDPMFKSA-N 2 1 260.381 2.127 20 0 CEADMP COc1cc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000070141784 363035392 /nfs/dbraw/zinc/03/53/92/363035392.db2.gz HYWZAFJFBNJXAJ-ZDUSSCGKSA-N 2 1 278.396 2.183 20 0 CEADMP COC1(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CCCC1 ZINC000629650713 351448563 /nfs/dbraw/zinc/44/85/63/351448563.db2.gz ZZAURAOTWPANCO-XHSDSOJGSA-N 2 1 296.455 2.164 20 0 CEADMP COC1(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)CCCC1 ZINC000629650334 351448738 /nfs/dbraw/zinc/44/87/38/351448738.db2.gz RNUQWYKEVDRLRF-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP COCC(C)(C)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629652461 351449270 /nfs/dbraw/zinc/44/92/70/351449270.db2.gz ATNVHKCXWQIOCJ-WDEREUQCSA-N 2 1 282.350 2.118 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000629653033 351451154 /nfs/dbraw/zinc/45/11/54/351451154.db2.gz KSTSJKABJGVAAQ-UHFFFAOYSA-N 2 1 285.457 2.108 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000629653033 351451159 /nfs/dbraw/zinc/45/11/59/351451159.db2.gz KSTSJKABJGVAAQ-UHFFFAOYSA-N 2 1 285.457 2.108 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(C(F)(F)F)s2)CCOCC1 ZINC000629653415 351451385 /nfs/dbraw/zinc/45/13/85/351451385.db2.gz GYIMOANHYGSMOC-UHFFFAOYSA-N 2 1 294.342 2.364 20 0 CEADMP COC1(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCCC1 ZINC000629655859 351452184 /nfs/dbraw/zinc/45/21/84/351452184.db2.gz XVCAGKUWXKEONM-CABCVRRESA-N 2 1 266.429 2.267 20 0 CEADMP Cc1cc(C[N@@H+](C)CCOCC[NH3+])ccc1C(F)(F)F ZINC000629664339 351456688 /nfs/dbraw/zinc/45/66/88/351456688.db2.gz KVJDFANCVFBXGT-UHFFFAOYSA-N 2 1 290.329 2.421 20 0 CEADMP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000629551362 351410459 /nfs/dbraw/zinc/41/04/59/351410459.db2.gz UFEIMRCQHDQCKH-ACJTYDJDSA-N 2 1 256.340 2.248 20 0 CEADMP CC(F)(F)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629580244 351422380 /nfs/dbraw/zinc/42/23/80/351422380.db2.gz OAZJBCOLNRVNKD-OAHLLOKOSA-N 2 1 298.377 2.345 20 0 CEADMP COc1ccc([C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1F ZINC000629588865 351425160 /nfs/dbraw/zinc/42/51/60/351425160.db2.gz MQUNDWGATIFIKQ-JSGCOSHPSA-N 2 1 278.371 2.233 20 0 CEADMP Cc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170838 363043742 /nfs/dbraw/zinc/04/37/42/363043742.db2.gz NLVCHRYHSMIDMS-OAHLLOKOSA-N 2 1 289.423 2.303 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000070170739 363043980 /nfs/dbraw/zinc/04/39/80/363043980.db2.gz PEXQPIXAOIJYBR-HNNXBMFYSA-N 2 1 289.423 2.303 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2ccccc2F)C1 ZINC000070170820 363044104 /nfs/dbraw/zinc/04/41/04/363044104.db2.gz NFWYHXADYVWCCI-CYBMUJFWSA-N 2 1 266.360 2.265 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000070173994 363047709 /nfs/dbraw/zinc/04/77/09/363047709.db2.gz NMEKIFSRDDBBPG-HOCLYGCPSA-N 2 1 284.407 2.432 20 0 CEADMP C[NH+](C)Cc1ccccc1NC(=O)C[N@@H+](C)C1CCC1 ZINC000629947564 351547803 /nfs/dbraw/zinc/54/78/03/351547803.db2.gz POXPUNQCORTNGT-UHFFFAOYSA-N 2 1 275.396 2.171 20 0 CEADMP CCN(C(=O)CC[C@@H]1CCCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000630006424 351583189 /nfs/dbraw/zinc/58/31/89/351583189.db2.gz SCRZAUPFBKDOIB-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000131333636 366043290 /nfs/dbraw/zinc/04/32/90/366043290.db2.gz SEPJNQRLCQHDNN-BBRMVZONSA-N 2 1 289.423 2.300 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000131333636 366043293 /nfs/dbraw/zinc/04/32/93/366043293.db2.gz SEPJNQRLCQHDNN-BBRMVZONSA-N 2 1 289.423 2.300 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1OC(F)F ZINC000131572922 366067111 /nfs/dbraw/zinc/06/71/11/366067111.db2.gz IUNJUQKBWLROPP-WDEREUQCSA-N 2 1 270.323 2.457 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OC(F)F ZINC000131572922 366067117 /nfs/dbraw/zinc/06/71/17/366067117.db2.gz IUNJUQKBWLROPP-WDEREUQCSA-N 2 1 270.323 2.457 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000131721173 366081306 /nfs/dbraw/zinc/08/13/06/366081306.db2.gz GAJDEXBHDQMTFZ-VXGBXAGGSA-N 2 1 295.814 2.338 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000122597525 187040147 /nfs/dbraw/zinc/04/01/47/187040147.db2.gz QXUXSMXREXNWCC-AWEZNQCLSA-N 2 1 273.384 2.184 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000122597525 187040148 /nfs/dbraw/zinc/04/01/48/187040148.db2.gz QXUXSMXREXNWCC-AWEZNQCLSA-N 2 1 273.384 2.184 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCCCCn2cccn2)CC[N@@H+]1C ZINC000123403700 187089916 /nfs/dbraw/zinc/08/99/16/187089916.db2.gz GLYQIVRVECUMKD-HOTGVXAUSA-N 2 1 278.444 2.468 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCCCCn2cccn2)CC[N@H+]1C ZINC000123403700 187089917 /nfs/dbraw/zinc/08/99/17/187089917.db2.gz GLYQIVRVECUMKD-HOTGVXAUSA-N 2 1 278.444 2.468 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCCCCn2cccn2)CC[NH+]1C ZINC000123403700 187089918 /nfs/dbraw/zinc/08/99/18/187089918.db2.gz GLYQIVRVECUMKD-HOTGVXAUSA-N 2 1 278.444 2.468 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCCn2cccn2)CC[NH+]1C ZINC000123403700 187089919 /nfs/dbraw/zinc/08/99/19/187089919.db2.gz GLYQIVRVECUMKD-HOTGVXAUSA-N 2 1 278.444 2.468 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000123479091 187094377 /nfs/dbraw/zinc/09/43/77/187094377.db2.gz PUVDDZAMMYIPAM-BPUTZDHNSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccccc2)CC[N@H+]1C ZINC000123479091 187094378 /nfs/dbraw/zinc/09/43/78/187094378.db2.gz PUVDDZAMMYIPAM-BPUTZDHNSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccccc2)CC[NH+]1C ZINC000123479091 187094379 /nfs/dbraw/zinc/09/43/79/187094379.db2.gz PUVDDZAMMYIPAM-BPUTZDHNSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccccc2)CC[NH+]1C ZINC000123479091 187094380 /nfs/dbraw/zinc/09/43/80/187094380.db2.gz PUVDDZAMMYIPAM-BPUTZDHNSA-N 2 1 262.397 2.135 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCOc1ccccc1 ZINC000123713833 187105815 /nfs/dbraw/zinc/10/58/15/187105815.db2.gz LBCGJRZDHLZDSS-OAHLLOKOSA-N 2 1 250.386 2.371 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000631069876 351947825 /nfs/dbraw/zinc/94/78/25/351947825.db2.gz ZXJJJKFNKITMEG-HNNXBMFYSA-N 2 1 275.396 2.076 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@]2(O)CCCC(C)(C)CC2)CC1 ZINC000631204908 352017099 /nfs/dbraw/zinc/01/70/99/352017099.db2.gz VNYIQRYYMZRBCD-INIZCTEOSA-N 2 1 268.445 2.392 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2([NH3+])CCCC2)C1 ZINC000237052734 539829618 /nfs/dbraw/zinc/82/96/18/539829618.db2.gz HURGQPAWIALMLI-AWEZNQCLSA-N 2 1 295.471 2.275 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1C ZINC000261964574 539853734 /nfs/dbraw/zinc/85/37/34/539853734.db2.gz HQQUPIJBNCTYEK-INIZCTEOSA-N 2 1 262.397 2.435 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000271564848 191214067 /nfs/dbraw/zinc/21/40/67/191214067.db2.gz UVZGDYPIPBRZGY-COXVUDFISA-N 2 1 294.414 2.049 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC000292098452 198162368 /nfs/dbraw/zinc/16/23/68/198162368.db2.gz OUYBTASRSBFDAD-GFCCVEGCSA-N 2 1 297.468 2.268 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000251755173 539990728 /nfs/dbraw/zinc/99/07/28/539990728.db2.gz LOXAVEBBMMTSIX-NVXWUHKLSA-N 2 1 284.407 2.432 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000251755173 539990734 /nfs/dbraw/zinc/99/07/34/539990734.db2.gz LOXAVEBBMMTSIX-NVXWUHKLSA-N 2 1 284.407 2.432 20 0 CEADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccncc1 ZINC000156611267 188272022 /nfs/dbraw/zinc/27/20/22/188272022.db2.gz GOZYTTNXMJPOIN-HNNXBMFYSA-N 2 1 290.455 2.006 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2cccs2)CC[N@H+]1C ZINC000156877904 188286234 /nfs/dbraw/zinc/28/62/34/188286234.db2.gz RKTBOKSTKAZLOS-DYEKYZERSA-N 2 1 268.426 2.028 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCN3CCc4ccccc43)CC[C@H]21 ZINC000292560058 198333232 /nfs/dbraw/zinc/33/32/32/198333232.db2.gz ROKUEDNHXKXGBM-ZWKOTPCHSA-N 2 1 299.462 2.465 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCN3CCc4ccccc43)CC[C@H]21 ZINC000292560058 198333233 /nfs/dbraw/zinc/33/32/33/198333233.db2.gz ROKUEDNHXKXGBM-ZWKOTPCHSA-N 2 1 299.462 2.465 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCN3CCc4ccccc43)CC[C@H]21 ZINC000292560058 198333234 /nfs/dbraw/zinc/33/32/34/198333234.db2.gz ROKUEDNHXKXGBM-ZWKOTPCHSA-N 2 1 299.462 2.465 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000494949164 291006550 /nfs/dbraw/zinc/00/65/50/291006550.db2.gz LNJCIJVRDNLWNT-LSDHHAIUSA-N 2 1 286.485 2.172 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC23CCC3)CC1 ZINC000337247233 366102505 /nfs/dbraw/zinc/10/25/05/366102505.db2.gz JYMVIYKFALPCFI-UHFFFAOYSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000252839061 540008944 /nfs/dbraw/zinc/00/89/44/540008944.db2.gz ZSBLTLZUBATBRR-UONOGXRCSA-N 2 1 260.381 2.094 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1F ZINC000253187349 540016642 /nfs/dbraw/zinc/01/66/42/540016642.db2.gz JCFZZDHBXHMZSO-WCQYABFASA-N 2 1 266.360 2.251 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1F ZINC000253187349 540016644 /nfs/dbraw/zinc/01/66/44/540016644.db2.gz JCFZZDHBXHMZSO-WCQYABFASA-N 2 1 266.360 2.251 20 0 CEADMP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@]3(CC[NH2+]C3)C1)CC2 ZINC000335439676 283004472 /nfs/dbraw/zinc/00/44/72/283004472.db2.gz NZCIEAKBJFYNDR-CVEARBPZSA-N 2 1 260.356 2.498 20 0 CEADMP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@]3(CC[NH2+]C3)C1)CC2 ZINC000335439676 283004476 /nfs/dbraw/zinc/00/44/76/283004476.db2.gz NZCIEAKBJFYNDR-CVEARBPZSA-N 2 1 260.356 2.498 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000337416043 366147736 /nfs/dbraw/zinc/14/77/36/366147736.db2.gz ZFJHTGUKRSUBEF-GVDBMIGSSA-N 2 1 279.472 2.182 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000495240347 291026995 /nfs/dbraw/zinc/02/69/95/291026995.db2.gz MNHACNWXJDAPDS-GOEBONIOSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000495240347 291026999 /nfs/dbraw/zinc/02/69/99/291026999.db2.gz MNHACNWXJDAPDS-GOEBONIOSA-N 2 1 279.428 2.455 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C2Cc3ccccc3C2)[C@H](C)C1 ZINC000133018585 366188392 /nfs/dbraw/zinc/18/83/92/366188392.db2.gz DPCHQGIQQQJUOB-DYVFJYSZSA-N 2 1 258.409 2.474 20 0 CEADMP Fc1cccc2c1OCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000261826424 283022334 /nfs/dbraw/zinc/02/23/34/283022334.db2.gz QZVNTWLUMFRFIM-UHFFFAOYSA-N 2 1 264.344 2.020 20 0 CEADMP CC[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451529635 283022584 /nfs/dbraw/zinc/02/25/84/283022584.db2.gz NPRBQRRXKDKVPN-DOTOQJQBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451529635 283022586 /nfs/dbraw/zinc/02/25/86/283022586.db2.gz NPRBQRRXKDKVPN-DOTOQJQBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451529635 283022587 /nfs/dbraw/zinc/02/25/87/283022587.db2.gz NPRBQRRXKDKVPN-DOTOQJQBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451529635 283022590 /nfs/dbraw/zinc/02/25/90/283022590.db2.gz NPRBQRRXKDKVPN-DOTOQJQBSA-N 2 1 295.471 2.051 20 0 CEADMP CO[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1C ZINC000451542767 283026994 /nfs/dbraw/zinc/02/69/94/283026994.db2.gz KJPMACZHNUSAIM-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC000451542767 283027000 /nfs/dbraw/zinc/02/70/00/283027000.db2.gz KJPMACZHNUSAIM-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC000451542767 283027004 /nfs/dbraw/zinc/02/70/04/283027004.db2.gz KJPMACZHNUSAIM-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP Fc1cncc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335635999 283038221 /nfs/dbraw/zinc/03/82/21/283038221.db2.gz SOFAGOYTFYHHOB-UONOGXRCSA-N 2 1 263.360 2.042 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1C ZINC000451579391 283040305 /nfs/dbraw/zinc/04/03/05/283040305.db2.gz YOTGDWIJXMUVPF-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[N@@H+](C)CC(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000355593076 283053398 /nfs/dbraw/zinc/05/33/98/283053398.db2.gz DCMODHKTGSTSQV-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(C)on2)CC1 ZINC000075007972 363433622 /nfs/dbraw/zinc/43/36/22/363433622.db2.gz OEZRQFBSYRRIKI-UHFFFAOYSA-N 2 1 295.427 2.306 20 0 CEADMP Cc1nccn1C[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000178957601 542253106 /nfs/dbraw/zinc/25/31/06/542253106.db2.gz OKNOABVVFGUDSF-VNQPRFMTSA-N 2 1 276.428 2.044 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178957601 542253107 /nfs/dbraw/zinc/25/31/07/542253107.db2.gz OKNOABVVFGUDSF-VNQPRFMTSA-N 3 1 276.428 2.044 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000178957601 542253110 /nfs/dbraw/zinc/25/31/10/542253110.db2.gz OKNOABVVFGUDSF-VNQPRFMTSA-N 3 1 276.428 2.044 20 0 CEADMP C/C=C/C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000682535213 540109658 /nfs/dbraw/zinc/10/96/58/540109658.db2.gz BYHYWCRFTWZMIY-WYVSAIIBSA-N 2 1 254.418 2.289 20 0 CEADMP CC(C)CCOCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380968027 540137068 /nfs/dbraw/zinc/13/70/68/540137068.db2.gz VOVODDYKJSMUPZ-GJZGRUSLSA-N 2 1 254.418 2.110 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)CC[C@@H]1[NH3+] ZINC000162077814 540147163 /nfs/dbraw/zinc/14/71/63/540147163.db2.gz CJTNXZZBEYTUCF-IPYPFGDCSA-N 2 1 260.381 2.222 20 0 CEADMP CN(C)C(=O)OC1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000495800048 291079882 /nfs/dbraw/zinc/07/98/82/291079882.db2.gz SCLIDNNRYIOMNO-AWEZNQCLSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)OC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000495800048 291079885 /nfs/dbraw/zinc/07/98/85/291079885.db2.gz SCLIDNNRYIOMNO-AWEZNQCLSA-N 2 1 297.443 2.023 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000570077127 299236420 /nfs/dbraw/zinc/23/64/20/299236420.db2.gz CGWZHBJTATXICT-NSHDSACASA-N 2 1 254.349 2.485 20 0 CEADMP CC1CCN([C@@H](C[NH2+]CCC[NH3+])c2cccs2)CC1 ZINC000415074817 540249762 /nfs/dbraw/zinc/24/97/62/540249762.db2.gz AWANFTVCZFVHDU-AWEZNQCLSA-N 2 1 281.469 2.460 20 0 CEADMP CCCC[C@@H](CC)CC[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414979919 540248387 /nfs/dbraw/zinc/24/83/87/540248387.db2.gz VFGFULOTCAJREX-HUUCEWRRSA-N 2 1 255.450 2.086 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)C1CCC(NC(C)=O)CC1 ZINC000338294275 366278252 /nfs/dbraw/zinc/27/82/52/366278252.db2.gz YKPQAMKJXYRKMB-UHFFFAOYSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000386384092 540252866 /nfs/dbraw/zinc/25/28/66/540252866.db2.gz UJRNAAOTWSWIQW-RBSFLKMASA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000386384092 540252869 /nfs/dbraw/zinc/25/28/69/540252869.db2.gz UJRNAAOTWSWIQW-RBSFLKMASA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000386384092 540252872 /nfs/dbraw/zinc/25/28/72/540252872.db2.gz UJRNAAOTWSWIQW-RBSFLKMASA-N 2 1 256.434 2.198 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](OC)C2)C1 ZINC000684374243 540254083 /nfs/dbraw/zinc/25/40/83/540254083.db2.gz LQNUYMBWTDPHBO-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)OC(=O)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075859891 363494383 /nfs/dbraw/zinc/49/43/83/363494383.db2.gz BTQGKDCOWXSYHZ-AWEZNQCLSA-N 2 1 270.417 2.134 20 0 CEADMP CC(C)OC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075859891 363494388 /nfs/dbraw/zinc/49/43/88/363494388.db2.gz BTQGKDCOWXSYHZ-AWEZNQCLSA-N 2 1 270.417 2.134 20 0 CEADMP CC(C)OC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075859891 363494393 /nfs/dbraw/zinc/49/43/93/363494393.db2.gz BTQGKDCOWXSYHZ-AWEZNQCLSA-N 2 1 270.417 2.134 20 0 CEADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1C ZINC000338347500 366308141 /nfs/dbraw/zinc/30/81/41/366308141.db2.gz ATKMOSNQWOTADO-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1C ZINC000338347500 366308145 /nfs/dbraw/zinc/30/81/45/366308145.db2.gz ATKMOSNQWOTADO-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP C(C[NH+]1CCCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134934104 366375998 /nfs/dbraw/zinc/37/59/98/366375998.db2.gz HCKGXYDVRKSUJO-SJLPKXTDSA-N 2 1 291.483 2.421 20 0 CEADMP c1cn(-c2csc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)cn1 ZINC000336327965 213173750 /nfs/dbraw/zinc/17/37/50/213173750.db2.gz QZFHPOMQGCDELT-WFASDCNBSA-N 2 1 288.420 2.118 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1CO[C@@H](C2CC2)C1)C1CC1 ZINC000668229586 538749063 /nfs/dbraw/zinc/74/90/63/538749063.db2.gz MWTIDRNBCCYKOS-UKRRQHHQSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnn3ccccc23)CC1 ZINC000336284526 213123144 /nfs/dbraw/zinc/12/31/44/213123144.db2.gz WJECJJGHJBJLSO-UHFFFAOYSA-N 2 1 284.407 2.395 20 0 CEADMP Cc1cccc(CC[NH2+]Cc2c[nH+]ccc2N(C)C)n1 ZINC000355225380 540341046 /nfs/dbraw/zinc/34/10/46/540341046.db2.gz SDVDQZZLFGFGRD-UHFFFAOYSA-N 2 1 270.380 2.183 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000577859576 366407703 /nfs/dbraw/zinc/40/77/03/366407703.db2.gz DWQYADFBGMVBGI-RYRKJORJSA-N 2 1 290.451 2.473 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294846655 199211711 /nfs/dbraw/zinc/21/17/11/199211711.db2.gz NASJJVRGNDRAKN-DZUCGIPZSA-N 2 1 274.408 2.010 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000578080250 366441420 /nfs/dbraw/zinc/44/14/20/366441420.db2.gz RECDWXMUYCPNGR-DLBZAZTESA-N 2 1 296.430 2.295 20 0 CEADMP COCC[N@@H+]1CCC[C@H]1CNCc1ccc(OC)cc1F ZINC000578241766 366466706 /nfs/dbraw/zinc/46/67/06/366466706.db2.gz SLBNQSFCQMLWGH-AWEZNQCLSA-N 2 1 296.386 2.035 20 0 CEADMP COCC[N@H+]1CCC[C@H]1CNCc1ccc(OC)cc1F ZINC000578241766 366466713 /nfs/dbraw/zinc/46/67/13/366466713.db2.gz SLBNQSFCQMLWGH-AWEZNQCLSA-N 2 1 296.386 2.035 20 0 CEADMP CC1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000136053287 366492079 /nfs/dbraw/zinc/49/20/79/366492079.db2.gz OLWFZKOSGXFSFF-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CN1CCN([C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000136069650 366492579 /nfs/dbraw/zinc/49/25/79/366492579.db2.gz BDLLDUYQNFQGJS-SFHVURJKSA-N 2 1 287.451 2.289 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000136069650 366492584 /nfs/dbraw/zinc/49/25/84/366492584.db2.gz BDLLDUYQNFQGJS-SFHVURJKSA-N 2 1 287.451 2.289 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000136069650 366492587 /nfs/dbraw/zinc/49/25/87/366492587.db2.gz BDLLDUYQNFQGJS-SFHVURJKSA-N 2 1 287.451 2.289 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)C(C)(C)c2cnc[nH]2)cc1 ZINC000670455142 540418142 /nfs/dbraw/zinc/41/81/42/540418142.db2.gz CXCYWQCZGAZWIT-UHFFFAOYSA-N 2 1 286.379 2.388 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOCC2CCC2)[C@H]2CCC[C@H]21 ZINC000671760756 540504642 /nfs/dbraw/zinc/50/46/42/540504642.db2.gz BWBKDHUOARBKCZ-OWCLPIDISA-N 2 1 266.429 2.266 20 0 CEADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2cn3cccnc3n2)c1 ZINC000297341234 200154594 /nfs/dbraw/zinc/15/45/94/200154594.db2.gz DPBHKZQQDIBYDQ-UHFFFAOYSA-N 2 1 295.390 2.081 20 0 CEADMP C[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000297566419 200229400 /nfs/dbraw/zinc/22/94/00/200229400.db2.gz CPLGRBNUQRFFFO-BPQIPLTHSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000297566419 200229401 /nfs/dbraw/zinc/22/94/01/200229401.db2.gz CPLGRBNUQRFFFO-BPQIPLTHSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000297566419 200229403 /nfs/dbraw/zinc/22/94/03/200229403.db2.gz CPLGRBNUQRFFFO-BPQIPLTHSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000579108473 366593099 /nfs/dbraw/zinc/59/30/99/366593099.db2.gz RUUKMQUOMBPZMR-YGRLFVJLSA-N 2 1 254.324 2.237 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccncc2)[C@H](C)C1 ZINC000081095710 363701415 /nfs/dbraw/zinc/70/14/15/363701415.db2.gz USMNFUAPRKSVCX-GDBMZVCRSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccncc2)[C@H](C)C1 ZINC000081095710 363701420 /nfs/dbraw/zinc/70/14/20/363701420.db2.gz USMNFUAPRKSVCX-GDBMZVCRSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccncc2)[C@H](C)C1 ZINC000081095710 363701424 /nfs/dbraw/zinc/70/14/24/363701424.db2.gz USMNFUAPRKSVCX-GDBMZVCRSA-N 2 1 261.413 2.286 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnc(C)nc2C)C1 ZINC000151110192 366621125 /nfs/dbraw/zinc/62/11/25/366621125.db2.gz LLIMTFIDLUULCM-WFASDCNBSA-N 2 1 276.428 2.476 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnc(C)nc2C)C1 ZINC000151110192 366621133 /nfs/dbraw/zinc/62/11/33/366621133.db2.gz LLIMTFIDLUULCM-WFASDCNBSA-N 2 1 276.428 2.476 20 0 CEADMP c1cc(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccn1 ZINC000150813274 366598771 /nfs/dbraw/zinc/59/87/71/366598771.db2.gz HXZXRJHOJJDRMU-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP COC1(CC[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)CCC1 ZINC000339009719 366612234 /nfs/dbraw/zinc/61/22/34/366612234.db2.gz GXYIOQFWWIEWFS-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(CC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CCC1 ZINC000339009719 366612238 /nfs/dbraw/zinc/61/22/38/366612238.db2.gz GXYIOQFWWIEWFS-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(CC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CCC1 ZINC000339009719 366612243 /nfs/dbraw/zinc/61/22/43/366612243.db2.gz GXYIOQFWWIEWFS-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(CC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000339009719 366612248 /nfs/dbraw/zinc/61/22/48/366612248.db2.gz GXYIOQFWWIEWFS-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(CC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000339009719 366612252 /nfs/dbraw/zinc/61/22/52/366612252.db2.gz GXYIOQFWWIEWFS-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cccnc1-n1ccnc1 ZINC000151504636 366649568 /nfs/dbraw/zinc/64/95/68/366649568.db2.gz GHLYECMPZCBWDZ-FMKPAKJESA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000151504636 366649571 /nfs/dbraw/zinc/64/95/71/366649571.db2.gz GHLYECMPZCBWDZ-FMKPAKJESA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000151504636 366649575 /nfs/dbraw/zinc/64/95/75/366649575.db2.gz GHLYECMPZCBWDZ-FMKPAKJESA-N 3 1 299.422 2.086 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2OC)[C@@H](C)C1 ZINC000341878657 216136356 /nfs/dbraw/zinc/13/63/56/216136356.db2.gz SEAOAVIEPQISPN-AJNGGQMLSA-N 2 1 254.418 2.121 20 0 CEADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1F ZINC000298543674 200464239 /nfs/dbraw/zinc/46/42/39/200464239.db2.gz TYBFSNYLBXTMPE-INIZCTEOSA-N 2 1 278.371 2.076 20 0 CEADMP C[C@@H](O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000178543672 189125789 /nfs/dbraw/zinc/12/57/89/189125789.db2.gz DWJMFCIQRDHRAH-ZENOOKHLSA-N 2 1 262.397 2.312 20 0 CEADMP CCc1noc(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342101459 216216931 /nfs/dbraw/zinc/21/69/31/216216931.db2.gz KVYQLBWDHWOLHG-FPMFFAJLSA-N 2 1 263.385 2.105 20 0 CEADMP CCO[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000675497008 540847513 /nfs/dbraw/zinc/84/75/13/540847513.db2.gz PJFHPBMWTNVLJX-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CCO[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000675497008 540847515 /nfs/dbraw/zinc/84/75/15/540847515.db2.gz PJFHPBMWTNVLJX-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CCO[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000675497008 540847516 /nfs/dbraw/zinc/84/75/16/540847516.db2.gz PJFHPBMWTNVLJX-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc(C)cs2)[C@H](C)C1 ZINC000675748137 540870940 /nfs/dbraw/zinc/87/09/40/540870940.db2.gz BNGNQTAMYRIJFW-DGCLKSJQSA-N 2 1 267.442 2.314 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000675748279 540871248 /nfs/dbraw/zinc/87/12/48/540871248.db2.gz VGFSBNZWGCWXMW-OAGGEKHMSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000675748279 540871250 /nfs/dbraw/zinc/87/12/50/540871250.db2.gz VGFSBNZWGCWXMW-OAGGEKHMSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCC1 ZINC000675880588 540878409 /nfs/dbraw/zinc/87/84/09/540878409.db2.gz GAZOCUJYTGHWMM-CJNGLKHVSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H](CC[NH2+]C[C@](C)(O)C(F)(F)F)[NH+]1CCCCC1 ZINC000579705640 366687660 /nfs/dbraw/zinc/68/76/60/366687660.db2.gz RVBHIIXAAYYMGP-NEPJUHHUSA-N 2 1 282.350 2.154 20 0 CEADMP Cc1noc(C)c1CC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000677378060 541008612 /nfs/dbraw/zinc/00/86/12/541008612.db2.gz XXYCFZBOZIJWKN-AWEZNQCLSA-N 2 1 274.368 2.368 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCC[NH3+])C1 ZINC000579831892 366709824 /nfs/dbraw/zinc/70/98/24/366709824.db2.gz BDSQCTSMCMOYJA-HOCLYGCPSA-N 2 1 289.423 2.067 20 0 CEADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000579827444 366710566 /nfs/dbraw/zinc/71/05/66/366710566.db2.gz NWJATWHWKDXZRL-KSSFIOAISA-N 2 1 288.435 2.367 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000638675214 370677982 /nfs/dbraw/zinc/67/79/82/370677982.db2.gz QDPFMFHACZFUKA-AAEUAGOBSA-N 2 1 253.415 2.455 20 0 CEADMP C[N@@H+](C[C@H](O)CCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000182407791 189322658 /nfs/dbraw/zinc/32/26/58/189322658.db2.gz YPKMLVITFCMEDL-ZWKOTPCHSA-N 2 1 290.451 2.254 20 0 CEADMP C[NH+](C[C@H](O)CCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000182407791 189322659 /nfs/dbraw/zinc/32/26/59/189322659.db2.gz YPKMLVITFCMEDL-ZWKOTPCHSA-N 2 1 290.451 2.254 20 0 CEADMP C[NH+](C[C@H](O)CCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000182407791 189322660 /nfs/dbraw/zinc/32/26/60/189322660.db2.gz YPKMLVITFCMEDL-ZWKOTPCHSA-N 2 1 290.451 2.254 20 0 CEADMP COc1ccc(C[N@@H+](C)CCn2ccnc2C)cc1OC ZINC000677981705 541064098 /nfs/dbraw/zinc/06/40/98/541064098.db2.gz GQZBOPNZCPWNIB-UHFFFAOYSA-N 2 1 289.379 2.341 20 0 CEADMP COc1ccc(C[N@@H+](C)CCn2cc[nH+]c2C)cc1OC ZINC000677981705 541064105 /nfs/dbraw/zinc/06/41/05/541064105.db2.gz GQZBOPNZCPWNIB-UHFFFAOYSA-N 2 1 289.379 2.341 20 0 CEADMP C[C@@H](NC[C@@H](O)C[NH+](C)C)c1ccc2c(c1)CCCC2 ZINC000154364042 366769889 /nfs/dbraw/zinc/76/98/89/366769889.db2.gz HKCXNAXDHAFLQZ-CXAGYDPISA-N 2 1 276.424 2.139 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000340119124 366776648 /nfs/dbraw/zinc/77/66/48/366776648.db2.gz GXRJAGMOHNQEEK-ARFHVFGLSA-N 2 1 295.471 2.275 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000678046392 541072066 /nfs/dbraw/zinc/07/20/66/541072066.db2.gz TVHYXNVNMMTHHB-KRWDZBQOSA-N 2 1 298.471 2.236 20 0 CEADMP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000155331363 366815960 /nfs/dbraw/zinc/81/59/60/366815960.db2.gz VOLWQVYUJCYSLA-KGLIPLIRSA-N 2 1 256.434 2.248 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](n2ccnc2)C1 ZINC000678076338 541077440 /nfs/dbraw/zinc/07/74/40/541077440.db2.gz XGZRATQGIDIUTN-LSDHHAIUSA-N 2 1 262.401 2.004 20 0 CEADMP C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](n2ccnc2)C1 ZINC000678076338 541077446 /nfs/dbraw/zinc/07/74/46/541077446.db2.gz XGZRATQGIDIUTN-LSDHHAIUSA-N 3 1 262.401 2.004 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@@H](n2ccnc2)C1 ZINC000678076338 541077447 /nfs/dbraw/zinc/07/74/47/541077447.db2.gz XGZRATQGIDIUTN-LSDHHAIUSA-N 3 1 262.401 2.004 20 0 CEADMP COc1cc2c(cc1OC)C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000019488121 361538578 /nfs/dbraw/zinc/53/85/78/361538578.db2.gz NKEXSMRDYKSMQT-CYBMUJFWSA-N 2 1 290.407 2.062 20 0 CEADMP COc1cc2c(cc1OC)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000019488121 361538581 /nfs/dbraw/zinc/53/85/81/361538581.db2.gz NKEXSMRDYKSMQT-CYBMUJFWSA-N 2 1 290.407 2.062 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184242354 189380816 /nfs/dbraw/zinc/38/08/16/189380816.db2.gz SRZMLKSJDIXPNJ-HNNXBMFYSA-N 2 1 295.471 2.086 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000020047991 361576384 /nfs/dbraw/zinc/57/63/84/361576384.db2.gz RLSFIZFGANGTAS-CQSZACIVSA-N 2 1 289.423 2.140 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000020047991 361576387 /nfs/dbraw/zinc/57/63/87/361576387.db2.gz RLSFIZFGANGTAS-CQSZACIVSA-N 2 1 289.423 2.140 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1ccccc1)[NH+](C)C ZINC000156177368 366827220 /nfs/dbraw/zinc/82/72/20/366827220.db2.gz DPMNQIVFXYRIMS-XIRDDKMYSA-N 2 1 275.440 2.219 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000156177368 366827225 /nfs/dbraw/zinc/82/72/25/366827225.db2.gz DPMNQIVFXYRIMS-XIRDDKMYSA-N 2 1 275.440 2.219 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000156177368 366827233 /nfs/dbraw/zinc/82/72/33/366827233.db2.gz DPMNQIVFXYRIMS-XIRDDKMYSA-N 2 1 275.440 2.219 20 0 CEADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678587120 541153197 /nfs/dbraw/zinc/15/31/97/541153197.db2.gz NDTAGNNDBQHNGK-DDBAPUKQSA-N 2 1 288.435 2.367 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCCCO)C1 ZINC000679340338 541259859 /nfs/dbraw/zinc/25/98/59/541259859.db2.gz QYVLLLBRVWTAFQ-LSDHHAIUSA-N 2 1 256.434 2.248 20 0 CEADMP COc1ccccc1OCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000088413733 363895733 /nfs/dbraw/zinc/89/57/33/363895733.db2.gz DSMXASRPLFVVPR-CQSZACIVSA-N 2 1 278.396 2.277 20 0 CEADMP COCCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090535527 364061590 /nfs/dbraw/zinc/06/15/90/364061590.db2.gz GWWIICOQYQSWKI-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000090720161 364063811 /nfs/dbraw/zinc/06/38/11/364063811.db2.gz PQMQHWMCOJDVED-BLLLJJGKSA-N 2 1 275.396 2.217 20 0 CEADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCc3cncs3)C2)C1 ZINC000334646932 364129860 /nfs/dbraw/zinc/12/98/60/364129860.db2.gz RNSUPABREBNOGK-AWEZNQCLSA-N 2 1 265.426 2.103 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCc3cncs3)C2)C1 ZINC000334646932 364129865 /nfs/dbraw/zinc/12/98/65/364129865.db2.gz RNSUPABREBNOGK-AWEZNQCLSA-N 2 1 265.426 2.103 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCc3cncs3)C2)C1 ZINC000334646932 364129870 /nfs/dbraw/zinc/12/98/70/364129870.db2.gz RNSUPABREBNOGK-AWEZNQCLSA-N 2 1 265.426 2.103 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3cncs3)C2)C1 ZINC000334646932 364129877 /nfs/dbraw/zinc/12/98/77/364129877.db2.gz RNSUPABREBNOGK-AWEZNQCLSA-N 2 1 265.426 2.103 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000638721510 370709236 /nfs/dbraw/zinc/70/92/36/370709236.db2.gz OXTVKBYICBRRKI-AWEZNQCLSA-N 2 1 279.428 2.343 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000638721510 370709241 /nfs/dbraw/zinc/70/92/41/370709241.db2.gz OXTVKBYICBRRKI-AWEZNQCLSA-N 2 1 279.428 2.343 20 0 CEADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2([NH3+])CC2)cc1 ZINC000237350677 370713520 /nfs/dbraw/zinc/71/35/20/370713520.db2.gz CIRRWZUZTMFQLE-CYBMUJFWSA-N 2 1 287.407 2.491 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000638726110 370713938 /nfs/dbraw/zinc/71/39/38/370713938.db2.gz OBGZITDKYJQFCI-UKRRQHHQSA-N 2 1 286.485 2.359 20 0 CEADMP COc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)cc(OC)c1 ZINC000094010744 364246509 /nfs/dbraw/zinc/24/65/09/364246509.db2.gz IWDJYVVOYJEJQZ-UHFFFAOYSA-N 2 1 278.396 2.135 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000094341238 364267402 /nfs/dbraw/zinc/26/74/02/364267402.db2.gz IZZSPSNFRXXTRW-CZUORRHYSA-N 2 1 278.396 2.133 20 0 CEADMP Oc1cc(F)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000334867443 364280241 /nfs/dbraw/zinc/28/02/41/364280241.db2.gz FQFHZTBEZXHWAC-XJKSGUPXSA-N 2 1 278.371 2.495 20 0 CEADMP Oc1cc(F)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000334867443 364280246 /nfs/dbraw/zinc/28/02/46/364280246.db2.gz FQFHZTBEZXHWAC-XJKSGUPXSA-N 2 1 278.371 2.495 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000334980297 364305438 /nfs/dbraw/zinc/30/54/38/364305438.db2.gz MEHJBVMMGJPHNJ-ZBFHGGJFSA-N 2 1 274.408 2.435 20 0 CEADMP Nc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000334983759 364309491 /nfs/dbraw/zinc/30/94/91/364309491.db2.gz NYHSMUMWVYGIJV-HOCLYGCPSA-N 2 1 259.397 2.233 20 0 CEADMP c1ccc2c(c1)CC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000335036190 364384234 /nfs/dbraw/zinc/38/42/34/364384234.db2.gz MYRDBFODTKTOQD-FAFZWHIHSA-N 2 1 299.462 2.480 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000157807117 366849415 /nfs/dbraw/zinc/84/94/15/366849415.db2.gz ZLYCIHFMHAOXSV-ZBFHGGJFSA-N 3 1 288.439 2.123 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1C ZINC000157807117 366849420 /nfs/dbraw/zinc/84/94/20/366849420.db2.gz ZLYCIHFMHAOXSV-ZBFHGGJFSA-N 3 1 288.439 2.123 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H]2CC23CCSCC3)CC1 ZINC000335193697 364604700 /nfs/dbraw/zinc/60/47/00/364604700.db2.gz QMJABRDBSMKCNK-GFCCVEGCSA-N 2 1 254.443 2.204 20 0 CEADMP C[N@@H+](CCOc1cccc(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000104100052 364677445 /nfs/dbraw/zinc/67/74/45/364677445.db2.gz RDAHSTAIJUZMFI-AWEZNQCLSA-N 2 1 280.387 2.478 20 0 CEADMP C[NH+](CCOc1cccc(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000104100052 364677448 /nfs/dbraw/zinc/67/74/48/364677448.db2.gz RDAHSTAIJUZMFI-AWEZNQCLSA-N 2 1 280.387 2.478 20 0 CEADMP C[NH+](CCOc1cccc(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000104100052 364677451 /nfs/dbraw/zinc/67/74/51/364677451.db2.gz RDAHSTAIJUZMFI-AWEZNQCLSA-N 2 1 280.387 2.478 20 0 CEADMP CN(Cc1ccc2c(c1)OCCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000104095941 364677891 /nfs/dbraw/zinc/67/78/91/364677891.db2.gz PJDLTTPMKUSYOP-HNNXBMFYSA-N 2 1 290.407 2.231 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@H]1CCC[NH+](C)C1 ZINC000104095941 364677896 /nfs/dbraw/zinc/67/78/96/364677896.db2.gz PJDLTTPMKUSYOP-HNNXBMFYSA-N 2 1 290.407 2.231 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@H]1CCC[NH+](C)C1 ZINC000104095941 364677903 /nfs/dbraw/zinc/67/79/03/364677903.db2.gz PJDLTTPMKUSYOP-HNNXBMFYSA-N 2 1 290.407 2.231 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)ccc21 ZINC000335634180 212348953 /nfs/dbraw/zinc/34/89/53/212348953.db2.gz MYQINWLFSOPCQN-CVEARBPZSA-N 2 1 298.434 2.395 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cnc3ccc(Cl)cn23)CC[NH2+]1 ZINC000335639727 212354998 /nfs/dbraw/zinc/35/49/98/212354998.db2.gz LIXSPMQCAHLVDE-CMPLNLGQSA-N 2 1 278.787 2.218 20 0 CEADMP Cc1cccnc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335631912 212345090 /nfs/dbraw/zinc/34/50/90/212345090.db2.gz CLEVBBGBAVAYNV-GJZGRUSLSA-N 2 1 259.397 2.212 20 0 CEADMP Cc1cccnc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335631914 212345161 /nfs/dbraw/zinc/34/51/61/212345161.db2.gz CLEVBBGBAVAYNV-LSDHHAIUSA-N 2 1 259.397 2.212 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@H]3CCN(C)[C@@H](C)C3)n2c1 ZINC000335716177 364875773 /nfs/dbraw/zinc/87/57/73/364875773.db2.gz DFHZRJMMMGZZSB-KBPBESRZSA-N 2 1 272.396 2.215 20 0 CEADMP CC[N@H+]1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H]1C ZINC000680330043 541392629 /nfs/dbraw/zinc/39/26/29/541392629.db2.gz MMUDEZJHZICPKX-CQSZACIVSA-N 2 1 299.422 2.102 20 0 CEADMP c1csc([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000335865986 365090098 /nfs/dbraw/zinc/09/00/98/365090098.db2.gz DAMCPRNCXUJNJM-STQMWFEESA-N 2 1 265.426 2.322 20 0 CEADMP COCCCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000117880480 365130548 /nfs/dbraw/zinc/13/05/48/365130548.db2.gz VJHNLDRQRBGCQL-UHFFFAOYSA-N 2 1 265.401 2.101 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H](C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000119016982 365200746 /nfs/dbraw/zinc/20/07/46/365200746.db2.gz SSYCNHBWIHBVMM-ZACQAIPSSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000245201861 370806220 /nfs/dbraw/zinc/80/62/20/370806220.db2.gz NMPQWAYWIQXBTQ-UGUYLWEFSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000119748313 365319868 /nfs/dbraw/zinc/31/98/68/365319868.db2.gz MPYMTYSBFFYABZ-ZIAGYGMSSA-N 2 1 299.459 2.221 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)Nc2ccnc(C)c2)CC1 ZINC000119790889 365325240 /nfs/dbraw/zinc/32/52/40/365325240.db2.gz MANMZCPHLJHNIY-UHFFFAOYSA-N 2 1 276.384 2.340 20 0 CEADMP C[C@@H]1OCC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000119919777 365344782 /nfs/dbraw/zinc/34/47/82/365344782.db2.gz UNQOLOKSHNJYNB-HOCLYGCPSA-N 2 1 262.397 2.276 20 0 CEADMP COc1ccc([C@H](CCO)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000120259855 365398027 /nfs/dbraw/zinc/39/80/27/365398027.db2.gz HOQITSGKVPDXMY-LXZKKBNFSA-N 2 1 292.423 2.191 20 0 CEADMP COc1ccc([C@H](CCO)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000120259855 365398038 /nfs/dbraw/zinc/39/80/38/365398038.db2.gz HOQITSGKVPDXMY-LXZKKBNFSA-N 2 1 292.423 2.191 20 0 CEADMP COc1ccc([C@H](CCO)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000120259855 365398043 /nfs/dbraw/zinc/39/80/43/365398043.db2.gz HOQITSGKVPDXMY-LXZKKBNFSA-N 2 1 292.423 2.191 20 0 CEADMP NC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336126874 365447162 /nfs/dbraw/zinc/44/71/62/365447162.db2.gz WMPZOHMWFNMLDE-AWEZNQCLSA-N 2 1 291.370 2.478 20 0 CEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cn[nH]c2)[C@H](C)C1 ZINC000340475523 366901204 /nfs/dbraw/zinc/90/12/04/366901204.db2.gz CWIQNRKQGAMRAP-FMKPAKJESA-N 2 1 294.443 2.197 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cn[nH]c2)[C@H](C)C1 ZINC000340475523 366901208 /nfs/dbraw/zinc/90/12/08/366901208.db2.gz CWIQNRKQGAMRAP-FMKPAKJESA-N 2 1 294.443 2.197 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000582733626 366951031 /nfs/dbraw/zinc/95/10/31/366951031.db2.gz JHRJWIJEUNGLSE-KFWWJZLASA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000582733626 366951036 /nfs/dbraw/zinc/95/10/36/366951036.db2.gz JHRJWIJEUNGLSE-KFWWJZLASA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000582733626 366951043 /nfs/dbraw/zinc/95/10/43/366951043.db2.gz JHRJWIJEUNGLSE-KFWWJZLASA-N 2 1 270.461 2.446 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000680993988 541485281 /nfs/dbraw/zinc/48/52/81/541485281.db2.gz ROMSLVLYVKZOHI-WMLDXEAASA-N 2 1 287.407 2.336 20 0 CEADMP Cc1ccc(C[NH2+][C@H](C)C[NH3+])cc1Br ZINC000162004908 367130324 /nfs/dbraw/zinc/13/03/24/367130324.db2.gz MXVVENVYVBGNLD-SECBINFHSA-N 2 1 257.175 2.194 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)C1C[NH2+]C1 ZINC000583747067 367091079 /nfs/dbraw/zinc/09/10/79/367091079.db2.gz SLHFZEJSVHFWSX-ABAIWWIYSA-N 2 1 281.831 2.140 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000161730223 367109192 /nfs/dbraw/zinc/10/91/92/367109192.db2.gz MEVZINZNIQAFIO-SJORKVTESA-N 2 1 279.472 2.421 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245574609 370843105 /nfs/dbraw/zinc/84/31/05/370843105.db2.gz AMDNQAIRENDIDO-JKSUJKDBSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245574609 370843109 /nfs/dbraw/zinc/84/31/09/370843109.db2.gz AMDNQAIRENDIDO-JKSUJKDBSA-N 2 1 277.412 2.473 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000164074721 367276321 /nfs/dbraw/zinc/27/63/21/367276321.db2.gz QKQHFGPJUVMHQL-QWHCGFSZSA-N 2 1 299.459 2.362 20 0 CEADMP CC/C=C\CC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000341315290 367281436 /nfs/dbraw/zinc/28/14/36/367281436.db2.gz HCJYSOCSZJTQRF-SREVYHEPSA-N 2 1 267.461 2.301 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cc(C)ccn2)CC1 ZINC000163351142 367234476 /nfs/dbraw/zinc/23/44/76/367234476.db2.gz MFYSAVSYYDIPQJ-UHFFFAOYSA-N 2 1 299.422 2.107 20 0 CEADMP C[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@@H+](C)C1CC1 ZINC000167336480 367338696 /nfs/dbraw/zinc/33/86/96/367338696.db2.gz VVQRFXILVAHMOR-CJNGLKHVSA-N 2 1 289.423 2.066 20 0 CEADMP CC(C)[NH2+]CCC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000165110520 367303832 /nfs/dbraw/zinc/30/38/32/367303832.db2.gz SHWOHUKUTOPSJS-OAHLLOKOSA-N 2 1 283.460 2.145 20 0 CEADMP C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000631565029 367404825 /nfs/dbraw/zinc/40/48/25/367404825.db2.gz AMSVFGBAOIZXAD-IWCQGFGOSA-N 2 1 290.451 2.408 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631571713 367410175 /nfs/dbraw/zinc/41/01/75/367410175.db2.gz IESDOARSPFNNMU-UGUYLWEFSA-N 2 1 278.440 2.266 20 0 CEADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)[C@H](O)C(F)(F)F ZINC000631715264 367498439 /nfs/dbraw/zinc/49/84/39/367498439.db2.gz QFKPFRMNYSGBNK-RHYQMDGZSA-N 2 1 282.350 2.007 20 0 CEADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](O)C(F)(F)F ZINC000631715264 367498440 /nfs/dbraw/zinc/49/84/40/367498440.db2.gz QFKPFRMNYSGBNK-RHYQMDGZSA-N 2 1 282.350 2.007 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631636506 367456558 /nfs/dbraw/zinc/45/65/58/367456558.db2.gz DWVYZPPXACNYPF-JONQDZQNSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)CC[N@H+]1C ZINC000342813799 367551099 /nfs/dbraw/zinc/55/10/99/367551099.db2.gz UHDQPZXGTQBOBG-WFASDCNBSA-N 2 1 272.396 2.178 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H](O)C(F)(F)F ZINC000631719997 367502292 /nfs/dbraw/zinc/50/22/92/367502292.db2.gz QGJZJPXFRZDIDT-MWLCHTKSSA-N 2 1 282.350 2.151 20 0 CEADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631826768 367564347 /nfs/dbraw/zinc/56/43/47/367564347.db2.gz WNATUBXSHPAGHO-HRCADAONSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838125 367577272 /nfs/dbraw/zinc/57/72/72/367577272.db2.gz JFGCYOGSWQELML-HUUCEWRRSA-N 2 1 262.397 2.209 20 0 CEADMP COc1ccccc1/C=C/C[NH2+]CCc1c[nH+]cn1C ZINC000681548599 541565361 /nfs/dbraw/zinc/56/53/61/541565361.db2.gz ZONGFGRRJSWVIB-FNORWQNLSA-N 2 1 271.364 2.274 20 0 CEADMP c1cc(CCC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cs1 ZINC000631867623 367601105 /nfs/dbraw/zinc/60/11/05/367601105.db2.gz XRKUMSLSNFIAHX-KGLIPLIRSA-N 2 1 250.411 2.412 20 0 CEADMP c1ccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887349 367608506 /nfs/dbraw/zinc/60/85/06/367608506.db2.gz QMWPMNQVTVSBNF-ZBFHGGJFSA-N 2 1 260.381 2.139 20 0 CEADMP CC(C)[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1C ZINC000631880550 367606004 /nfs/dbraw/zinc/60/60/04/367606004.db2.gz XWMXCTMNYPCATM-GOSISDBHSA-N 2 1 287.451 2.104 20 0 CEADMP CC(C)[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCN1C ZINC000631880550 367606008 /nfs/dbraw/zinc/60/60/08/367606008.db2.gz XWMXCTMNYPCATM-GOSISDBHSA-N 2 1 287.451 2.104 20 0 CEADMP CC(C)[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCN1C ZINC000631880550 367606014 /nfs/dbraw/zinc/60/60/14/367606014.db2.gz XWMXCTMNYPCATM-GOSISDBHSA-N 2 1 287.451 2.104 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887547 367608678 /nfs/dbraw/zinc/60/86/78/367608678.db2.gz ODXJJTPANSYTNJ-IUODEOHRSA-N 2 1 263.385 2.119 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887547 367608684 /nfs/dbraw/zinc/60/86/84/367608684.db2.gz ODXJJTPANSYTNJ-IUODEOHRSA-N 2 1 263.385 2.119 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889289 367610451 /nfs/dbraw/zinc/61/04/51/367610451.db2.gz HUPUYLRLPLRBPQ-CHWSQXEVSA-N 2 1 265.426 2.068 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@H]3C[NH2+]CC[C@H]32)c1C ZINC000631889113 367611399 /nfs/dbraw/zinc/61/13/99/367611399.db2.gz FXPKJQOAKSNRFK-GOEBONIOSA-N 2 1 289.423 2.281 20 0 CEADMP CCC[N@@H+](CCOCC[NH3+])Cc1ccc(C)cc1 ZINC000572524564 299376167 /nfs/dbraw/zinc/37/61/67/299376167.db2.gz XYAGEIXTFKWFOP-UHFFFAOYSA-N 2 1 250.386 2.182 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000343063029 367653956 /nfs/dbraw/zinc/65/39/56/367653956.db2.gz GRPIUBMRXFYGBI-DOTOQJQBSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@H]1C[NH+](C)C[C@H]1NCCC[N@H+](C)Cc1ccccc1 ZINC000343063029 367653963 /nfs/dbraw/zinc/65/39/63/367653963.db2.gz GRPIUBMRXFYGBI-DOTOQJQBSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@H]1C[NH+](C)C[C@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000343063029 367653969 /nfs/dbraw/zinc/65/39/69/367653969.db2.gz GRPIUBMRXFYGBI-DOTOQJQBSA-N 2 1 275.440 2.048 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccn(C)c2)[C@@H](C)C1 ZINC000343194865 367701352 /nfs/dbraw/zinc/70/13/52/367701352.db2.gz MCLXDJUKEDZLFM-DOTOQJQBSA-N 2 1 293.455 2.252 20 0 CEADMP c1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c[nH]1 ZINC000343083477 367662177 /nfs/dbraw/zinc/66/21/77/367662177.db2.gz LXCOHVZDYIIMBE-UHFFFAOYSA-N 2 1 285.391 2.137 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000358020034 370873450 /nfs/dbraw/zinc/87/34/50/370873450.db2.gz LEXNEAOPRRCZOI-BLLLJJGKSA-N 2 1 275.396 2.075 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000358020034 370873453 /nfs/dbraw/zinc/87/34/53/370873453.db2.gz LEXNEAOPRRCZOI-BLLLJJGKSA-N 2 1 275.396 2.075 20 0 CEADMP C[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245785994 370874347 /nfs/dbraw/zinc/87/43/47/370874347.db2.gz ZMVRCRORJSGRHY-LLLHUVSDSA-N 2 1 274.408 2.152 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C[C@H](O)c2cc(F)ccc2F)C1 ZINC000173884932 367953885 /nfs/dbraw/zinc/95/38/85/367953885.db2.gz HZSWJWJOQPLNSP-WBMJQRKESA-N 2 1 298.377 2.272 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)cc1 ZINC000174717969 368059072 /nfs/dbraw/zinc/05/90/72/368059072.db2.gz TWKXEGZDIFOHGC-UHFFFAOYSA-N 2 1 295.858 2.409 20 0 CEADMP COC(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174398943 368018701 /nfs/dbraw/zinc/01/87/01/368018701.db2.gz GBNUQXOJHMCNDO-INIZCTEOSA-N 2 1 290.407 2.003 20 0 CEADMP COC(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174398943 368018705 /nfs/dbraw/zinc/01/87/05/368018705.db2.gz GBNUQXOJHMCNDO-INIZCTEOSA-N 2 1 290.407 2.003 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C(=O)OC)o2)[C@H](C)C1 ZINC000174770906 368066341 /nfs/dbraw/zinc/06/63/41/368066341.db2.gz AHJYPZIEKFYAPN-TZMCWYRMSA-N 2 1 294.395 2.228 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000633207273 368109440 /nfs/dbraw/zinc/10/94/40/368109440.db2.gz MKBMASJTFNYQNA-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP c1cncc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000344263007 368115969 /nfs/dbraw/zinc/11/59/69/368115969.db2.gz QIILCKHCFFWLPU-QAETUUGQSA-N 2 1 287.407 2.128 20 0 CEADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000343948298 368085763 /nfs/dbraw/zinc/08/57/63/368085763.db2.gz XXVPFAYDKUKPLB-ZIAGYGMSSA-N 2 1 256.434 2.369 20 0 CEADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000345064426 368142202 /nfs/dbraw/zinc/14/22/02/368142202.db2.gz DIUSSTQILOUACP-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H](C1CC1)[NH+](C)CCOCC[N@H+](C)[C@@H](C)C1CC1 ZINC000178613203 368305957 /nfs/dbraw/zinc/30/59/57/368305957.db2.gz SMYYYBVKDGWYDC-KBPBESRZSA-N 2 1 268.445 2.464 20 0 CEADMP C[N@@H+](CCCn1ccnc1)CC[C@@H]1CCCC[NH+]1C ZINC000181083737 368419439 /nfs/dbraw/zinc/41/94/39/368419439.db2.gz CTVXSPGGSZAYQQ-HNNXBMFYSA-N 2 1 264.417 2.079 20 0 CEADMP C[NH+](CCCn1ccnc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000181083737 368419445 /nfs/dbraw/zinc/41/94/45/368419445.db2.gz CTVXSPGGSZAYQQ-HNNXBMFYSA-N 2 1 264.417 2.079 20 0 CEADMP C[NH+](CCCn1ccnc1)CC[C@@H]1CCCC[N@H+]1C ZINC000181083737 368419454 /nfs/dbraw/zinc/41/94/54/368419454.db2.gz CTVXSPGGSZAYQQ-HNNXBMFYSA-N 2 1 264.417 2.079 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000682404104 541658682 /nfs/dbraw/zinc/65/86/82/541658682.db2.gz BPICZFIUSFPZIA-KRWDZBQOSA-N 2 1 292.423 2.325 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCOc2ncccc2Cl)CC[N@@H+]1C ZINC000181321385 368444708 /nfs/dbraw/zinc/44/47/08/368444708.db2.gz JRAYHUTYSCBXLA-RYUDHWBXSA-N 2 1 283.803 2.186 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCOc2ncccc2Cl)CC[N@H+]1C ZINC000181321385 368444712 /nfs/dbraw/zinc/44/47/12/368444712.db2.gz JRAYHUTYSCBXLA-RYUDHWBXSA-N 2 1 283.803 2.186 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000345821559 368438300 /nfs/dbraw/zinc/43/83/00/368438300.db2.gz TVEOZSDSRYAWKU-BFYDXBDKSA-N 2 1 295.471 2.275 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000634120889 368546100 /nfs/dbraw/zinc/54/61/00/368546100.db2.gz QDCIFPTYGPMKAR-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+](C)C(C)(C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000682693619 541699771 /nfs/dbraw/zinc/69/97/71/541699771.db2.gz CIYZPMKWDCHPDG-UHFFFAOYSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000346237357 368603378 /nfs/dbraw/zinc/60/33/78/368603378.db2.gz MFJGSQKXQPZCBP-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP COc1c(C)cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000346693773 368776250 /nfs/dbraw/zinc/77/62/50/368776250.db2.gz PQDSKWUMFKNORD-DZGCQCFKSA-N 2 1 262.397 2.481 20 0 CEADMP COc1c(C)cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1C ZINC000346688581 368771534 /nfs/dbraw/zinc/77/15/34/368771534.db2.gz XZFDRZPGUNRCKZ-UKRRQHHQSA-N 2 1 262.397 2.481 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000346641346 368746736 /nfs/dbraw/zinc/74/67/36/368746736.db2.gz BOGTTWJCWHMGIS-WCQYABFASA-N 2 1 288.420 2.374 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346640145 368746749 /nfs/dbraw/zinc/74/67/49/368746749.db2.gz AHWRSHYSLUZECE-HIFRSBDPSA-N 2 1 284.407 2.350 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC)C2(C)C)[C@@H](C)C1 ZINC000347424393 368808615 /nfs/dbraw/zinc/80/86/15/368808615.db2.gz UMMFQORRQAUYJU-IGQOVBAYSA-N 2 1 254.418 2.120 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)O1 ZINC000634687993 368815568 /nfs/dbraw/zinc/81/55/68/368815568.db2.gz FCXPFRLKDMBKEC-FXUDXRNXSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)O1 ZINC000634688364 368816918 /nfs/dbraw/zinc/81/69/18/368816918.db2.gz QISWHDVMSFJSRD-MJBXVCDLSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)[C@H](C)C1 ZINC000634733402 368844493 /nfs/dbraw/zinc/84/44/93/368844493.db2.gz DYYHGDRVSCTUFT-KFWWJZLASA-N 2 1 267.461 2.085 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@H](C)C1 ZINC000634733402 368844499 /nfs/dbraw/zinc/84/44/99/368844499.db2.gz DYYHGDRVSCTUFT-KFWWJZLASA-N 3 1 267.461 2.085 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@H](C)C1 ZINC000634733402 368844504 /nfs/dbraw/zinc/84/45/04/368844504.db2.gz DYYHGDRVSCTUFT-KFWWJZLASA-N 3 1 267.461 2.085 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC000634732416 368845041 /nfs/dbraw/zinc/84/50/41/368845041.db2.gz GISYOYIDKVHORO-CYBMUJFWSA-N 2 1 276.380 2.283 20 0 CEADMP Cc1ncn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000634646848 368793970 /nfs/dbraw/zinc/79/39/70/368793970.db2.gz MJMRPOUTDVHENU-KRWDZBQOSA-N 2 1 285.391 2.137 20 0 CEADMP CC(C)[C@@H]1CC[N@H+]1C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000634647383 368794094 /nfs/dbraw/zinc/79/40/94/368794094.db2.gz XGIMLKNLGXYDNM-ROUUACIJSA-N 2 1 288.435 2.354 20 0 CEADMP CC(C)[C@@H]1CC[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634647383 368794096 /nfs/dbraw/zinc/79/40/96/368794096.db2.gz XGIMLKNLGXYDNM-ROUUACIJSA-N 2 1 288.435 2.354 20 0 CEADMP CC(C)[C@@H]1CC[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634647383 368794098 /nfs/dbraw/zinc/79/40/98/368794098.db2.gz XGIMLKNLGXYDNM-ROUUACIJSA-N 2 1 288.435 2.354 20 0 CEADMP CC(C)[C@@H]1CC[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634647383 368794101 /nfs/dbraw/zinc/79/41/01/368794101.db2.gz XGIMLKNLGXYDNM-ROUUACIJSA-N 2 1 288.435 2.354 20 0 CEADMP CC(C)[C@@H]1CC[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634647383 368794103 /nfs/dbraw/zinc/79/41/03/368794103.db2.gz XGIMLKNLGXYDNM-ROUUACIJSA-N 2 1 288.435 2.354 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000348099155 368897272 /nfs/dbraw/zinc/89/72/72/368897272.db2.gz CWZVMBYHRDMSDL-KBPBESRZSA-N 2 1 256.434 2.369 20 0 CEADMP COCc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000634733823 368846814 /nfs/dbraw/zinc/84/68/14/368846814.db2.gz PDSGYYUAHBOXOV-GFCCVEGCSA-N 2 1 266.385 2.294 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000348001476 368853697 /nfs/dbraw/zinc/85/36/97/368853697.db2.gz LJVUYORIFRIPEA-HOTGVXAUSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000348001476 368853706 /nfs/dbraw/zinc/85/37/06/368853706.db2.gz LJVUYORIFRIPEA-HOTGVXAUSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCc2nn(C)c3ccccc23)CC[N@H+]1C ZINC000186480474 368981128 /nfs/dbraw/zinc/98/11/28/368981128.db2.gz WDDXHOJOTSXKGV-ZIAGYGMSSA-N 2 1 286.423 2.188 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000348200764 368948144 /nfs/dbraw/zinc/94/81/44/368948144.db2.gz XVZXJCNWXPVOAZ-ZDUSSCGKSA-N 2 1 298.394 2.365 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC000348311852 368995772 /nfs/dbraw/zinc/99/57/72/368995772.db2.gz KAXJRROFVPHZLF-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC000348321027 369002194 /nfs/dbraw/zinc/00/21/94/369002194.db2.gz RCJBEBDNWNCPAA-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)CC[N@H+]1C ZINC000186612698 369007389 /nfs/dbraw/zinc/00/73/89/369007389.db2.gz LUPFOZOWAORGQO-CZUORRHYSA-N 2 1 276.424 2.486 20 0 CEADMP C[C@@H](c1ccsc1)[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634994132 369023450 /nfs/dbraw/zinc/02/34/50/369023450.db2.gz RXVDELQHPAHJLU-HLIUYOAVSA-N 2 1 291.464 2.179 20 0 CEADMP CC(C)[C@H](C[NH3+])C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000634993776 369023610 /nfs/dbraw/zinc/02/36/10/369023610.db2.gz GERUYFVDWWUDLC-MRXNPFEDSA-N 3 1 263.429 2.068 20 0 CEADMP CC(C)[C@H](C[NH3+])C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000634993776 369023613 /nfs/dbraw/zinc/02/36/13/369023613.db2.gz GERUYFVDWWUDLC-MRXNPFEDSA-N 3 1 263.429 2.068 20 0 CEADMP OCC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)c(F)c1 ZINC000634997616 369027643 /nfs/dbraw/zinc/02/76/43/369027643.db2.gz PCHIWWUWIOVRDX-CQSZACIVSA-N 2 1 286.778 2.244 20 0 CEADMP C[C@@H]1C[N@H+](Cc2c(C3CC3)nc3sccn23)C[C@H]1C[NH3+] ZINC000634998128 369028221 /nfs/dbraw/zinc/02/82/21/369028221.db2.gz BBMAJFYZUJZDKY-ZYHUDNBSSA-N 2 1 290.436 2.300 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c(C3CC3)nc3sccn23)C[C@H]1C[NH3+] ZINC000634998128 369028223 /nfs/dbraw/zinc/02/82/23/369028223.db2.gz BBMAJFYZUJZDKY-ZYHUDNBSSA-N 2 1 290.436 2.300 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCCCC1)[C@@H]1CCOC1 ZINC000186735565 369030400 /nfs/dbraw/zinc/03/04/00/369030400.db2.gz LEXLYFZFKQPUPR-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccnc3ccccc23)C[C@H]1C[NH3+] ZINC000634999115 369031379 /nfs/dbraw/zinc/03/13/79/369031379.db2.gz QFWNDAFDNRUHHV-GXTWGEPZSA-N 2 1 255.365 2.261 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H]1CCNC(=O)CC1)[NH+]1CCC(C)CC1 ZINC000634952427 368986869 /nfs/dbraw/zinc/98/68/69/368986869.db2.gz YUIBCJBGVRTCRY-JKSUJKDBSA-N 2 1 295.471 2.001 20 0 CEADMP C[NH+](C)C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCCC1 ZINC000635123816 369083845 /nfs/dbraw/zinc/08/38/45/369083845.db2.gz ZGLLCMKMYYDMIB-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)n1 ZINC000187074704 369097487 /nfs/dbraw/zinc/09/74/87/369097487.db2.gz ISVNJSPTQHMNSE-HNNXBMFYSA-N 2 1 261.413 2.472 20 0 CEADMP Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)n1 ZINC000187074704 369097492 /nfs/dbraw/zinc/09/74/92/369097492.db2.gz ISVNJSPTQHMNSE-HNNXBMFYSA-N 2 1 261.413 2.472 20 0 CEADMP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000187074704 369097494 /nfs/dbraw/zinc/09/74/94/369097494.db2.gz ISVNJSPTQHMNSE-HNNXBMFYSA-N 2 1 261.413 2.472 20 0 CEADMP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000187074704 369097499 /nfs/dbraw/zinc/09/74/99/369097499.db2.gz ISVNJSPTQHMNSE-HNNXBMFYSA-N 2 1 261.413 2.472 20 0 CEADMP CC(C)C[C@H]1OCCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000186835495 369055397 /nfs/dbraw/zinc/05/53/97/369055397.db2.gz SYIHKSQMMRGEEZ-HUUCEWRRSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C1CCCCC1 ZINC000635217658 369107348 /nfs/dbraw/zinc/10/73/48/369107348.db2.gz WFLMHLHQWKFFAX-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC000635217658 369107352 /nfs/dbraw/zinc/10/73/52/369107352.db2.gz WFLMHLHQWKFFAX-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC000635217658 369107355 /nfs/dbraw/zinc/10/73/55/369107355.db2.gz WFLMHLHQWKFFAX-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635326187 369141019 /nfs/dbraw/zinc/14/10/19/369141019.db2.gz VFUFOHDVQPITPJ-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000635426239 369169880 /nfs/dbraw/zinc/16/98/80/369169880.db2.gz URILXKGSWIWEBF-AWEZNQCLSA-N 2 1 294.443 2.099 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635475221 369186140 /nfs/dbraw/zinc/18/61/40/369186140.db2.gz ZJUPBLBIVDSTSE-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C)ccn2)C1 ZINC000683010819 541751948 /nfs/dbraw/zinc/75/19/48/541751948.db2.gz DMCYUCBUPXJGQK-KRWDZBQOSA-N 2 1 291.439 2.323 20 0 CEADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349298329 369291695 /nfs/dbraw/zinc/29/16/95/369291695.db2.gz PAVRZPRMUMBKNH-SJORKVTESA-N 2 1 281.488 2.382 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCC1)CCC(C)(C)C(=O)OC ZINC000349404151 369320799 /nfs/dbraw/zinc/32/07/99/369320799.db2.gz FIFISPQUVZGRNI-UHFFFAOYSA-N 2 1 284.444 2.384 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000358227126 370960591 /nfs/dbraw/zinc/96/05/91/370960591.db2.gz NSOZSICOSXEPFF-DJIMGWMZSA-N 2 1 274.408 2.418 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000358227126 370960593 /nfs/dbraw/zinc/96/05/93/370960593.db2.gz NSOZSICOSXEPFF-DJIMGWMZSA-N 2 1 274.408 2.418 20 0 CEADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000358228375 370960875 /nfs/dbraw/zinc/96/08/75/370960875.db2.gz FQBZSOITQSWROT-GJZGRUSLSA-N 2 1 282.815 2.447 20 0 CEADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000358228375 370960880 /nfs/dbraw/zinc/96/08/80/370960880.db2.gz FQBZSOITQSWROT-GJZGRUSLSA-N 2 1 282.815 2.447 20 0 CEADMP COc1cccc(COCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000358233359 370963815 /nfs/dbraw/zinc/96/38/15/370963815.db2.gz OENNCIUZKSKZRV-WMLDXEAASA-N 2 1 292.423 2.142 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ncccc2Cl)[C@@H](C)C1 ZINC000246486024 370968511 /nfs/dbraw/zinc/96/85/11/370968511.db2.gz RPYWKHTWSWDREB-GXTWGEPZSA-N 2 1 297.830 2.434 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+]C2CC(OC(C)C)C2)CC1 ZINC000189545014 369536603 /nfs/dbraw/zinc/53/66/03/369536603.db2.gz RJFSEBJAHZJWHY-UHFFFAOYSA-N 2 1 298.471 2.421 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC12CCCCC2)C1CC1 ZINC000351724038 369651167 /nfs/dbraw/zinc/65/11/67/369651167.db2.gz ZNADJHGIHXCKNP-OAHLLOKOSA-N 2 1 266.429 2.240 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC12CCCCC2)C1CC1 ZINC000351724038 369651174 /nfs/dbraw/zinc/65/11/74/369651174.db2.gz ZNADJHGIHXCKNP-OAHLLOKOSA-N 2 1 266.429 2.240 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCC12CCCCC2)C1CC1 ZINC000351724038 369651176 /nfs/dbraw/zinc/65/11/76/369651176.db2.gz ZNADJHGIHXCKNP-OAHLLOKOSA-N 2 1 266.429 2.240 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCCC12CCCCC2)C1CC1 ZINC000351724038 369651182 /nfs/dbraw/zinc/65/11/82/369651182.db2.gz ZNADJHGIHXCKNP-OAHLLOKOSA-N 2 1 266.429 2.240 20 0 CEADMP CCCC[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000352416577 369721246 /nfs/dbraw/zinc/72/12/46/369721246.db2.gz VBRBZCMPWWYELD-AWEZNQCLSA-N 2 1 283.460 2.097 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352487316 369752634 /nfs/dbraw/zinc/75/26/34/369752634.db2.gz CRIVFHDYXQAGJX-CQSZACIVSA-N 2 1 286.423 2.319 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(C(=O)OC)CC1 ZINC000192441471 369813696 /nfs/dbraw/zinc/81/36/96/369813696.db2.gz XFVOSXHGCHCRLT-HSBZDZAISA-N 2 1 270.417 2.038 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(C(=O)OC)CC1 ZINC000192441471 369813697 /nfs/dbraw/zinc/81/36/97/369813697.db2.gz XFVOSXHGCHCRLT-HSBZDZAISA-N 2 1 270.417 2.038 20 0 CEADMP CC(C)Cn1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000352546522 369781936 /nfs/dbraw/zinc/78/19/36/369781936.db2.gz WIIPOAXBWQCWFL-OAHLLOKOSA-N 2 1 264.417 2.242 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000352546522 369781941 /nfs/dbraw/zinc/78/19/41/369781941.db2.gz WIIPOAXBWQCWFL-OAHLLOKOSA-N 2 1 264.417 2.242 20 0 CEADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccnn2C)CC1 ZINC000192249537 369785756 /nfs/dbraw/zinc/78/57/56/369785756.db2.gz RFPDATHFXZOBLS-ZDUSSCGKSA-N 2 1 264.417 2.335 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)C1CCCC1 ZINC000352703258 369847014 /nfs/dbraw/zinc/84/70/14/369847014.db2.gz APEVQSOQERYIJP-OAHLLOKOSA-N 2 1 265.401 2.112 20 0 CEADMP C[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000192745289 369848745 /nfs/dbraw/zinc/84/87/45/369848745.db2.gz CPLGRBNUQRFFFO-KBAYOESNSA-N 2 1 288.435 2.354 20 0 CEADMP C=Cn1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000194340009 370027684 /nfs/dbraw/zinc/02/76/84/370027684.db2.gz YJQQYGRVINRXPS-AWEZNQCLSA-N 2 1 262.401 2.338 20 0 CEADMP C=Cn1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000194340009 370027689 /nfs/dbraw/zinc/02/76/89/370027689.db2.gz YJQQYGRVINRXPS-AWEZNQCLSA-N 2 1 262.401 2.338 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC[N@H+]1C ZINC000637857923 370125530 /nfs/dbraw/zinc/12/55/30/370125530.db2.gz VEONGGGTOOZKKM-BYCMXARLSA-N 2 1 275.396 2.375 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000353913497 370133196 /nfs/dbraw/zinc/13/31/96/370133196.db2.gz JCRZFHVCUDCMIG-DZKIICNBSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000353988391 370165451 /nfs/dbraw/zinc/16/54/51/370165451.db2.gz VIUMSCBLBYLEKZ-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000353988391 370165458 /nfs/dbraw/zinc/16/54/58/370165458.db2.gz VIUMSCBLBYLEKZ-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000353988392 370165598 /nfs/dbraw/zinc/16/55/98/370165598.db2.gz VIUMSCBLBYLEKZ-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000353988392 370165601 /nfs/dbraw/zinc/16/56/01/370165601.db2.gz VIUMSCBLBYLEKZ-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000354096680 370216564 /nfs/dbraw/zinc/21/65/64/370216564.db2.gz KPSQPLQDCLSFBF-INIZCTEOSA-N 2 1 277.412 2.014 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CCc2ccccn2)C[C@H]1C ZINC000354221902 370267033 /nfs/dbraw/zinc/26/70/33/370267033.db2.gz HQIMOENURBCHOD-ZBFHGGJFSA-N 2 1 261.413 2.429 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccccn2)C[C@H]1C ZINC000354221902 370267039 /nfs/dbraw/zinc/26/70/39/370267039.db2.gz HQIMOENURBCHOD-ZBFHGGJFSA-N 2 1 261.413 2.429 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccccn2)C[C@H]1C ZINC000354221902 370267042 /nfs/dbraw/zinc/26/70/42/370267042.db2.gz HQIMOENURBCHOD-ZBFHGGJFSA-N 2 1 261.413 2.429 20 0 CEADMP CC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000638051394 370269231 /nfs/dbraw/zinc/26/92/31/370269231.db2.gz HCJBNJDMWVYHIL-SMDDNHRTSA-N 2 1 297.830 2.057 20 0 CEADMP CC(C)CC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000638058802 370273748 /nfs/dbraw/zinc/27/37/48/370273748.db2.gz WOKXNDSJMKOIJH-HUUCEWRRSA-N 2 1 283.460 2.131 20 0 CEADMP CN(C)c1cc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc[nH+]1 ZINC000354502676 370389446 /nfs/dbraw/zinc/38/94/46/370389446.db2.gz YCMLEPCHEJHJLP-CQSZACIVSA-N 2 1 290.411 2.351 20 0 CEADMP CN(C)c1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cc[nH+]1 ZINC000354502676 370389449 /nfs/dbraw/zinc/38/94/49/370389449.db2.gz YCMLEPCHEJHJLP-CQSZACIVSA-N 2 1 290.411 2.351 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)[C@H]1C ZINC000354350262 370327608 /nfs/dbraw/zinc/32/76/08/370327608.db2.gz ZUNUBRWHHKSAQK-DZKIICNBSA-N 2 1 296.455 2.428 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)[C@H]1C ZINC000354350262 370327612 /nfs/dbraw/zinc/32/76/12/370327612.db2.gz ZUNUBRWHHKSAQK-DZKIICNBSA-N 2 1 296.455 2.428 20 0 CEADMP CO[C@@]1(C[NH2+]CCC[N@@H+](C)C2CCCCC2)CCOC1 ZINC000638303065 370434274 /nfs/dbraw/zinc/43/42/74/370434274.db2.gz ZSJGQFHXYVTVBE-MRXNPFEDSA-N 2 1 284.444 2.036 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccncc3Cl)C[C@H]21 ZINC000228470769 370403627 /nfs/dbraw/zinc/40/36/27/370403627.db2.gz GHFTYHULTRYZST-MPKXVKKWSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccncc3Cl)C[C@H]21 ZINC000228470769 370403633 /nfs/dbraw/zinc/40/36/33/370403633.db2.gz GHFTYHULTRYZST-MPKXVKKWSA-N 2 1 265.788 2.294 20 0 CEADMP CO[C@@H](C[NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000638302614 370434508 /nfs/dbraw/zinc/43/45/08/370434508.db2.gz JHCRFHSDAFJOAR-RDJZCZTQSA-N 2 1 298.471 2.282 20 0 CEADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C(C)(C)C)n1 ZINC000228538170 370406621 /nfs/dbraw/zinc/40/66/21/370406621.db2.gz ABUBOTNOLOJLMO-NWANDNLSSA-N 2 1 290.455 2.277 20 0 CEADMP CCOC1CC(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000638336111 370453178 /nfs/dbraw/zinc/45/31/78/370453178.db2.gz YHWOZPJMQIRHNA-GRTSSRMGSA-N 2 1 265.401 2.232 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000638410220 370509355 /nfs/dbraw/zinc/50/93/55/370509355.db2.gz XDOFFEYJFWIYFZ-GFCCVEGCSA-N 2 1 299.365 2.065 20 0 CEADMP C[C@H]([NH3+])CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000638377729 370483779 /nfs/dbraw/zinc/48/37/79/370483779.db2.gz KBUOCBFCIKBGPK-GJZGRUSLSA-N 2 1 295.471 2.227 20 0 CEADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)CC1(O)CCC1 ZINC000354902663 370496473 /nfs/dbraw/zinc/49/64/73/370496473.db2.gz ULXBNHXNHZUGTF-UHFFFAOYSA-N 2 1 289.423 2.145 20 0 CEADMP COc1cc(C[NH2+]CCn2cc[nH+]c2C)c(Cl)cc1O ZINC000638457935 370546529 /nfs/dbraw/zinc/54/65/29/370546529.db2.gz PTTMZKGNWSILBD-UHFFFAOYSA-N 2 1 295.770 2.349 20 0 CEADMP CO[C@@H](C[NH2+]CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000638462986 370550005 /nfs/dbraw/zinc/55/00/05/370550005.db2.gz QDIZPIXJQXLYGS-MRXNPFEDSA-N 2 1 273.380 2.039 20 0 CEADMP CC(C)C[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000236676297 370607149 /nfs/dbraw/zinc/60/71/49/370607149.db2.gz BYINHOUJPNCJIJ-ZNMIVQPWSA-N 2 1 297.487 2.233 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CCCc1cnn(C)c1 ZINC000638589789 370624001 /nfs/dbraw/zinc/62/40/01/370624001.db2.gz YPEBSQDUJDHWTC-MRXNPFEDSA-N 2 1 278.444 2.207 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CCCc1cnn(C)c1 ZINC000638589789 370624006 /nfs/dbraw/zinc/62/40/06/370624006.db2.gz YPEBSQDUJDHWTC-MRXNPFEDSA-N 2 1 278.444 2.207 20 0 CEADMP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[NH+](CC)CC ZINC000356212051 370626901 /nfs/dbraw/zinc/62/69/01/370626901.db2.gz FUQZYTUZKAWXSL-NVXWUHKLSA-N 2 1 295.471 2.051 20 0 CEADMP CO[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CC(C)C ZINC000639117369 370993467 /nfs/dbraw/zinc/99/34/67/370993467.db2.gz HUELZLPMTQQRDR-JKSUJKDBSA-N 2 1 286.460 2.138 20 0 CEADMP Cc1nnsc1CNC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000638566900 370609263 /nfs/dbraw/zinc/60/92/63/370609263.db2.gz QXFSVSHOHDZBNU-LBPRGKRZSA-N 2 1 268.430 2.057 20 0 CEADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C[C@H]1C)[C@H](C)NC(=O)OC(C)(C)C ZINC000309861825 296164152 /nfs/dbraw/zinc/16/41/52/296164152.db2.gz DKVVFMFFXISORN-MQYQWHSLSA-N 2 1 299.459 2.218 20 0 CEADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)[C@H](C)NC(=O)OC(C)(C)C ZINC000309861825 296164155 /nfs/dbraw/zinc/16/41/55/296164155.db2.gz DKVVFMFFXISORN-MQYQWHSLSA-N 2 1 299.459 2.218 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCN2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000358329869 371017576 /nfs/dbraw/zinc/01/75/76/371017576.db2.gz PRTCIOLSLWVWEX-SJLPKXTDSA-N 2 1 287.451 2.335 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCN2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000358329869 371017583 /nfs/dbraw/zinc/01/75/83/371017583.db2.gz PRTCIOLSLWVWEX-SJLPKXTDSA-N 2 1 287.451 2.335 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000246880743 371025138 /nfs/dbraw/zinc/02/51/38/371025138.db2.gz IMUJLIWJBZSHAG-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358348690 371028311 /nfs/dbraw/zinc/02/83/11/371028311.db2.gz VZRWCPOEKDIOPE-HUUCEWRRSA-N 2 1 284.407 2.322 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC000358354933 371031071 /nfs/dbraw/zinc/03/10/71/371031071.db2.gz PJFBXTXTLUWGLR-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000358354933 371031073 /nfs/dbraw/zinc/03/10/73/371031073.db2.gz PJFBXTXTLUWGLR-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000358354933 371031076 /nfs/dbraw/zinc/03/10/76/371031076.db2.gz PJFBXTXTLUWGLR-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)[C@@H](C)C1 ZINC000246990686 371042449 /nfs/dbraw/zinc/04/24/49/371042449.db2.gz NEZICKUXVNGQTE-YOEHRIQHSA-N 2 1 299.422 2.087 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000639170789 371042844 /nfs/dbraw/zinc/04/28/44/371042844.db2.gz YRMYTJNLGZNNNQ-UGUYLWEFSA-N 2 1 278.440 2.264 20 0 CEADMP CC[C@](C)(C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21)OC ZINC000639180496 371060165 /nfs/dbraw/zinc/06/01/65/371060165.db2.gz XGSNZGZIKJUXBK-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CC[C@](C)(C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21)OC ZINC000639180496 371060171 /nfs/dbraw/zinc/06/01/71/371060171.db2.gz XGSNZGZIKJUXBK-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CC[C@](C)(C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)OC ZINC000639180496 371060178 /nfs/dbraw/zinc/06/01/78/371060178.db2.gz XGSNZGZIKJUXBK-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639198819 371083838 /nfs/dbraw/zinc/08/38/38/371083838.db2.gz SRLBJCPBUPRDKH-SOUVJXGZSA-N 2 1 283.460 2.144 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639198819 371083841 /nfs/dbraw/zinc/08/38/41/371083841.db2.gz SRLBJCPBUPRDKH-SOUVJXGZSA-N 2 1 283.460 2.144 20 0 CEADMP COc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)sn1 ZINC000639245340 371141871 /nfs/dbraw/zinc/14/18/71/371141871.db2.gz WNKMOZDSTCOVFY-UHFFFAOYSA-N 2 1 269.414 2.116 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000247975725 371151659 /nfs/dbraw/zinc/15/16/59/371151659.db2.gz KRYKNCWWEMFFHV-JSGCOSHPSA-N 2 1 276.380 2.235 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000247975725 371151664 /nfs/dbraw/zinc/15/16/64/371151664.db2.gz KRYKNCWWEMFFHV-JSGCOSHPSA-N 2 1 276.380 2.235 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247990371 371153821 /nfs/dbraw/zinc/15/38/21/371153821.db2.gz JHZBYUANDJOITJ-DZKIICNBSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247990371 371153824 /nfs/dbraw/zinc/15/38/24/371153824.db2.gz JHZBYUANDJOITJ-DZKIICNBSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247990371 371153827 /nfs/dbraw/zinc/15/38/27/371153827.db2.gz JHZBYUANDJOITJ-DZKIICNBSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247990371 371153831 /nfs/dbraw/zinc/15/38/31/371153831.db2.gz JHZBYUANDJOITJ-DZKIICNBSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000248023591 371155574 /nfs/dbraw/zinc/15/55/74/371155574.db2.gz OHZUQWUVYFGVEM-LSDHHAIUSA-N 2 1 262.397 2.446 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)OC ZINC000639257570 371158199 /nfs/dbraw/zinc/15/81/99/371158199.db2.gz PGIWFFBLTFSQMP-KKUMJFAQSA-N 2 1 256.434 2.369 20 0 CEADMP CC[C@H](C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+](C)C ZINC000248402991 371187628 /nfs/dbraw/zinc/18/76/28/371187628.db2.gz NYYJQFJBGGWNQY-OFQRWUPVSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639287776 371189650 /nfs/dbraw/zinc/18/96/50/371189650.db2.gz AHGBWLDVEVKXAL-CABCVRRESA-N 2 1 283.460 2.001 20 0 CEADMP C(C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C[C@@H]1CCO1 ZINC000639338735 371249637 /nfs/dbraw/zinc/24/96/37/371249637.db2.gz VLFOAXNCVSIINN-HZPDHXFCSA-N 2 1 266.429 2.267 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCSCC)[C@@H](C)C1 ZINC000248855477 371256601 /nfs/dbraw/zinc/25/66/01/371256601.db2.gz CXEGMNIJBOWQAM-LSDHHAIUSA-N 2 1 288.501 2.466 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3CCCOC3)C2)cc1 ZINC000249119634 371297527 /nfs/dbraw/zinc/29/75/27/371297527.db2.gz TYAWHRBYPKBKGD-IRXDYDNUSA-N 2 1 274.408 2.277 20 0 CEADMP C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@H]1CN2CCC1CC2 ZINC000639395522 371307169 /nfs/dbraw/zinc/30/71/69/371307169.db2.gz BDDXWANDHLRAEY-HNNXBMFYSA-N 2 1 286.379 2.196 20 0 CEADMP C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@H]1CN2CCC1CC2 ZINC000639395522 371307174 /nfs/dbraw/zinc/30/71/74/371307174.db2.gz BDDXWANDHLRAEY-HNNXBMFYSA-N 2 1 286.379 2.196 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C2CCCCC2)CC[N@H+]1C ZINC000249336816 371313983 /nfs/dbraw/zinc/31/39/83/371313983.db2.gz CVLZMOKNKWBASZ-FVQBIDKESA-N 2 1 268.445 2.390 20 0 CEADMP C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000249408046 371320727 /nfs/dbraw/zinc/32/07/27/371320727.db2.gz CPLGRBNUQRFFFO-JQHSSLGASA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000639497698 371362278 /nfs/dbraw/zinc/36/22/78/371362278.db2.gz NNHUCDSXFOBAIX-ARFHVFGLSA-N 2 1 266.429 2.219 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1(C)C ZINC000250564631 371386635 /nfs/dbraw/zinc/38/66/35/371386635.db2.gz UUDNZSJZPQGXKQ-LJISPDSOSA-N 2 1 266.429 2.406 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1(C)C ZINC000250564631 371386638 /nfs/dbraw/zinc/38/66/38/371386638.db2.gz UUDNZSJZPQGXKQ-LJISPDSOSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCC1 ZINC000251299357 371399841 /nfs/dbraw/zinc/39/98/41/371399841.db2.gz HQVHSHGKGJRNFY-IKGGRYGDSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639506239 371369205 /nfs/dbraw/zinc/36/92/05/371369205.db2.gz JGSVBXZACRBBTN-LSDHHAIUSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639506239 371369209 /nfs/dbraw/zinc/36/92/09/371369209.db2.gz JGSVBXZACRBBTN-LSDHHAIUSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639506239 371369214 /nfs/dbraw/zinc/36/92/14/371369214.db2.gz JGSVBXZACRBBTN-LSDHHAIUSA-N 2 1 268.445 2.465 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)[C@@H](C)C1 ZINC000249962416 371371978 /nfs/dbraw/zinc/37/19/78/371371978.db2.gz JUTLWWVRMRUURY-IHRRRGAJSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCO[C@H]2C)C[C@H]1C ZINC000639509972 371373088 /nfs/dbraw/zinc/37/30/88/371373088.db2.gz RSLCURUKBLTRAN-QPSCCSFWSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCO[C@H]2C)C[C@H]1C ZINC000639509972 371373090 /nfs/dbraw/zinc/37/30/90/371373090.db2.gz RSLCURUKBLTRAN-QPSCCSFWSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCO[C@H]2C)C[C@H]1C ZINC000639509972 371373092 /nfs/dbraw/zinc/37/30/92/371373092.db2.gz RSLCURUKBLTRAN-QPSCCSFWSA-N 2 1 254.418 2.216 20 0 CEADMP CC[C@@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639514557 371378202 /nfs/dbraw/zinc/37/82/02/371378202.db2.gz RPNCDODYUBBXKX-SJLPKXTDSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639514557 371378208 /nfs/dbraw/zinc/37/82/08/371378208.db2.gz RPNCDODYUBBXKX-SJLPKXTDSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639514557 371378214 /nfs/dbraw/zinc/37/82/14/371378214.db2.gz RPNCDODYUBBXKX-SJLPKXTDSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639514557 371378217 /nfs/dbraw/zinc/37/82/17/371378217.db2.gz RPNCDODYUBBXKX-SJLPKXTDSA-N 2 1 288.435 2.355 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000250378950 371383393 /nfs/dbraw/zinc/38/33/93/371383393.db2.gz WQWLFYAALUCQIE-QLFBSQMISA-N 2 1 254.418 2.121 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250447313 371384252 /nfs/dbraw/zinc/38/42/52/371384252.db2.gz DLPKFMZYXCTQRF-HOTGVXAUSA-N 2 1 288.391 2.190 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250447313 371384258 /nfs/dbraw/zinc/38/42/58/371384258.db2.gz DLPKFMZYXCTQRF-HOTGVXAUSA-N 2 1 288.391 2.190 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000359368753 371449654 /nfs/dbraw/zinc/44/96/54/371449654.db2.gz FJHRVCRPXWTJRM-IAGOWNOFSA-N 2 1 279.472 2.182 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000252563324 371456364 /nfs/dbraw/zinc/45/63/64/371456364.db2.gz XHEDWFSAIJPEEN-CWRNSKLLSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000252563324 371456366 /nfs/dbraw/zinc/45/63/66/371456366.db2.gz XHEDWFSAIJPEEN-CWRNSKLLSA-N 2 1 266.429 2.408 20 0 CEADMP CCc1nocc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682898 371491467 /nfs/dbraw/zinc/49/14/67/371491467.db2.gz CVSNJXRESZVJFN-UHFFFAOYSA-N 2 1 286.379 2.344 20 0 CEADMP CC[C@H](C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)[NH+](CC)CC ZINC000360082760 371504234 /nfs/dbraw/zinc/50/42/34/371504234.db2.gz NEDFZZPTLXISDA-BZUAXINKSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000253246240 371504642 /nfs/dbraw/zinc/50/46/42/371504642.db2.gz RQIPDHQEDMCOOS-XJKSGUPXSA-N 2 1 274.408 2.081 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000639769290 371556656 /nfs/dbraw/zinc/55/66/56/371556656.db2.gz XLVIMCRHEIFTOQ-GOSISDBHSA-N 2 1 299.418 2.123 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000639769290 371556664 /nfs/dbraw/zinc/55/66/64/371556664.db2.gz XLVIMCRHEIFTOQ-GOSISDBHSA-N 2 1 299.418 2.123 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC3(C2)CC[NH+](C)CC3)C1 ZINC000639755146 371545795 /nfs/dbraw/zinc/54/57/95/371545795.db2.gz GXLOZMRVBGTAOD-CALCHBBNSA-N 2 1 293.499 2.382 20 0 CEADMP C[C@@H]1C[C@H](C)CN(CC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC000639755146 371545800 /nfs/dbraw/zinc/54/58/00/371545800.db2.gz GXLOZMRVBGTAOD-CALCHBBNSA-N 2 1 293.499 2.382 20 0 CEADMP C[C@@H]1C[C@H](C)CN(CC[N@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC000639755146 371545808 /nfs/dbraw/zinc/54/58/08/371545808.db2.gz GXLOZMRVBGTAOD-CALCHBBNSA-N 2 1 293.499 2.382 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCC3CCOCC3)C2)CC1 ZINC000639756225 371546564 /nfs/dbraw/zinc/54/65/64/371546564.db2.gz RUZXBWGNQPPSAY-UHFFFAOYSA-N 2 1 266.429 2.221 20 0 CEADMP CCCCCNC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759713 371548044 /nfs/dbraw/zinc/54/80/44/371548044.db2.gz HKIAGLCQVWZKKC-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)C[NH+]2CCCCCC2)C1 ZINC000360008794 371498627 /nfs/dbraw/zinc/49/86/27/371498627.db2.gz ZBDNDMUOOAEBRC-HRCADAONSA-N 2 1 267.461 2.181 20 0 CEADMP Fc1cccc(CCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257650328 371614768 /nfs/dbraw/zinc/61/47/68/371614768.db2.gz DCENBJMGCMVJNK-MRXNPFEDSA-N 2 1 262.372 2.444 20 0 CEADMP COc1cccc([C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261593696 371668209 /nfs/dbraw/zinc/66/82/09/371668209.db2.gz NBXIIFPMZLTQPN-CFVMTHIKSA-N 2 1 260.381 2.298 20 0 CEADMP CC(C)n1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261569577 371653337 /nfs/dbraw/zinc/65/33/37/371653337.db2.gz MTKYNBDIRFPGBQ-ZNMIVQPWSA-N 2 1 262.401 2.023 20 0 CEADMP CCOc1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261702355 371707128 /nfs/dbraw/zinc/70/71/28/371707128.db2.gz OJRGIHZDVQRIJG-WMLDXEAASA-N 2 1 290.407 2.148 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261702355 371707132 /nfs/dbraw/zinc/70/71/32/371707132.db2.gz OJRGIHZDVQRIJG-WMLDXEAASA-N 2 1 290.407 2.148 20 0 CEADMP CCn1nccc1CC[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640015970 371736336 /nfs/dbraw/zinc/73/63/36/371736336.db2.gz PVBWXCHOUNNCQD-UHFFFAOYSA-N 2 1 278.444 2.252 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000640015790 371736790 /nfs/dbraw/zinc/73/67/90/371736790.db2.gz NUZXZBPMLQLVBG-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP Fc1cccnc1O[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261656544 371694660 /nfs/dbraw/zinc/69/46/60/371694660.db2.gz BKHSCAUKKLRBAF-CQSZACIVSA-N 2 1 293.386 2.064 20 0 CEADMP c1cnn(-c2cccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)c2)c1 ZINC000261927947 371774957 /nfs/dbraw/zinc/77/49/57/371774957.db2.gz CKUQXZPBWPEZRV-QGZVFWFLSA-N 2 1 282.391 2.058 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261989834 371793170 /nfs/dbraw/zinc/79/31/70/371793170.db2.gz SEYMRFDADMETDG-GJZGRUSLSA-N 2 1 284.407 2.350 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261989834 371793175 /nfs/dbraw/zinc/79/31/75/371793175.db2.gz SEYMRFDADMETDG-GJZGRUSLSA-N 2 1 284.407 2.350 20 0 CEADMP c1nn([C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)c2ccccc12 ZINC000262022081 371801232 /nfs/dbraw/zinc/80/12/32/371801232.db2.gz WHGGWMUOABISCZ-INIZCTEOSA-N 2 1 284.407 2.283 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@]1(C)CC[NH2+]C1)c1nccs1 ZINC000262041078 371808162 /nfs/dbraw/zinc/80/81/62/371808162.db2.gz PCUPPYBPFOOWOM-WCQYABFASA-N 2 1 253.415 2.178 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]21 ZINC000262054441 371813471 /nfs/dbraw/zinc/81/34/71/371813471.db2.gz DGBJTUFRYGJGCE-BMGDILEWSA-N 2 1 296.418 2.432 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]21 ZINC000262054441 371813479 /nfs/dbraw/zinc/81/34/79/371813479.db2.gz DGBJTUFRYGJGCE-BMGDILEWSA-N 2 1 296.418 2.432 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1F ZINC000262054170 371813956 /nfs/dbraw/zinc/81/39/56/371813956.db2.gz ZZKKQNPORXDMIX-AAEUAGOBSA-N 2 1 266.360 2.394 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1F ZINC000262054170 371813963 /nfs/dbraw/zinc/81/39/63/371813963.db2.gz ZZKKQNPORXDMIX-AAEUAGOBSA-N 2 1 266.360 2.394 20 0 CEADMP O[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@@H]2CCCC[C@@H]12 ZINC000640102837 371816298 /nfs/dbraw/zinc/81/62/98/371816298.db2.gz VDFLKQGGXWGAEU-BRWVUGGUSA-N 2 1 280.456 2.488 20 0 CEADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000262118845 371825093 /nfs/dbraw/zinc/82/50/93/371825093.db2.gz XCNJBGDVSYQFMF-OAGGEKHMSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H](CO)[N@@H+](CCC[NH+]1CCCCC1)CC1CCC1 ZINC000361496016 371878990 /nfs/dbraw/zinc/87/89/90/371878990.db2.gz IKTZODKKEROTCP-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP COC1(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)CCCC1 ZINC000361550557 371913340 /nfs/dbraw/zinc/91/33/40/371913340.db2.gz SECNPTQCKUWMQS-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CCCC1 ZINC000361550557 371913343 /nfs/dbraw/zinc/91/33/43/371913343.db2.gz SECNPTQCKUWMQS-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CCCC1 ZINC000361550557 371913345 /nfs/dbraw/zinc/91/33/45/371913345.db2.gz SECNPTQCKUWMQS-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCCC1 ZINC000361550557 371913350 /nfs/dbraw/zinc/91/33/50/371913350.db2.gz SECNPTQCKUWMQS-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000361550557 371913352 /nfs/dbraw/zinc/91/33/52/371913352.db2.gz SECNPTQCKUWMQS-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP CC[N@H+](CCCCn1cc[nH+]c1C)C[C@H](C)OC ZINC000361562955 371927662 /nfs/dbraw/zinc/92/76/62/371927662.db2.gz HAIWFSRQBYCBOH-ZDUSSCGKSA-N 2 1 253.390 2.329 20 0 CEADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C[C@H](C)OC ZINC000361562955 371927670 /nfs/dbraw/zinc/92/76/70/371927670.db2.gz HAIWFSRQBYCBOH-ZDUSSCGKSA-N 2 1 253.390 2.329 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263089806 371929191 /nfs/dbraw/zinc/92/91/91/371929191.db2.gz YGTZKCOQSBJJPA-QSJFSLAZSA-N 2 1 295.471 2.273 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263201396 371931291 /nfs/dbraw/zinc/93/12/91/371931291.db2.gz JBUCZXFVYXUBMY-YQQAZPJKSA-N 2 1 295.471 2.227 20 0 CEADMP Cn1cc(CC[N@@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000640530935 372021009 /nfs/dbraw/zinc/02/10/09/372021009.db2.gz IWKYBWWANNJYPQ-UHFFFAOYSA-N 2 1 278.444 2.161 20 0 CEADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530919 372022065 /nfs/dbraw/zinc/02/20/65/372022065.db2.gz IKTJYKGAMSSVJM-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP CCN(C)C(=O)CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532643 372022194 /nfs/dbraw/zinc/02/21/94/372022194.db2.gz HGYDWUVAUXWLQD-UHFFFAOYSA-N 2 1 283.460 2.053 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)NCC(C)(C)C ZINC000640534981 372023781 /nfs/dbraw/zinc/02/37/81/372023781.db2.gz YGAGZDWOKSRQKE-UHFFFAOYSA-N 2 1 297.487 2.347 20 0 CEADMP CC[N@@H+]1C[C@H](NC[C@@H]2CCC[NH+](C(C)C)C2)[C@@H](C)C1 ZINC000344186251 217089673 /nfs/dbraw/zinc/08/96/73/217089673.db2.gz DLUFGURZGHXYRT-JYJNAYRXSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](NC[C@@H]2CCC[N@@H+](C(C)C)C2)[C@@H](C)C1 ZINC000344186251 217089676 /nfs/dbraw/zinc/08/96/76/217089676.db2.gz DLUFGURZGHXYRT-JYJNAYRXSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](NC[C@@H]2CCC[N@H+](C(C)C)C2)[C@@H](C)C1 ZINC000344186251 217089678 /nfs/dbraw/zinc/08/96/78/217089678.db2.gz DLUFGURZGHXYRT-JYJNAYRXSA-N 2 1 267.461 2.037 20 0 CEADMP CCN1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)[C@@H](C)C1 ZINC000344186251 217089679 /nfs/dbraw/zinc/08/96/79/217089679.db2.gz DLUFGURZGHXYRT-JYJNAYRXSA-N 2 1 267.461 2.037 20 0 CEADMP CCN1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)[C@@H](C)C1 ZINC000344186251 217089683 /nfs/dbraw/zinc/08/96/83/217089683.db2.gz DLUFGURZGHXYRT-JYJNAYRXSA-N 2 1 267.461 2.037 20 0 CEADMP COC1CCC(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000361928062 372132534 /nfs/dbraw/zinc/13/25/34/372132534.db2.gz UZLBXUVZDNYRSB-PPWQZUPISA-N 2 1 254.418 2.121 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1C[N@H+](C)C[C@@H]1C ZINC000361926762 372133007 /nfs/dbraw/zinc/13/30/07/372133007.db2.gz RMFQHOBDCVPTOZ-QAETUUGQSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000361926762 372133011 /nfs/dbraw/zinc/13/30/11/372133011.db2.gz RMFQHOBDCVPTOZ-QAETUUGQSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000268786120 372222991 /nfs/dbraw/zinc/22/29/91/372222991.db2.gz ZWUSEVJODCXHNF-CZPYZCIJSA-N 2 1 280.387 2.177 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(C)cc2)[C@@H](C)C1 ZINC000268814374 372235890 /nfs/dbraw/zinc/23/58/90/372235890.db2.gz VGSPWQOGBNNBON-XIRDDKMYSA-N 2 1 276.424 2.348 20 0 CEADMP CC[C@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268708934 372187371 /nfs/dbraw/zinc/18/73/71/372187371.db2.gz JFHCFWWRLRNBRJ-MRXNPFEDSA-N 2 1 294.414 2.193 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCC[C@@H](C)C2)C[C@H]1C ZINC000362178927 372257780 /nfs/dbraw/zinc/25/77/80/372257780.db2.gz DIXOWCKZOOWTAG-OAGGEKHMSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C)o2)CC1 ZINC000268970461 372305358 /nfs/dbraw/zinc/30/53/58/372305358.db2.gz HZKRPSZRCQPGMW-AWEZNQCLSA-N 2 1 266.385 2.085 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CN(C)C[C@@H]2C)C1 ZINC000344396960 217180229 /nfs/dbraw/zinc/18/02/29/217180229.db2.gz UIPDMBGQOMUTED-XHSDSOJGSA-N 2 1 281.488 2.427 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CN(C)C[C@@H]2C)C1 ZINC000344396960 217180230 /nfs/dbraw/zinc/18/02/30/217180230.db2.gz UIPDMBGQOMUTED-XHSDSOJGSA-N 2 1 281.488 2.427 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](CCO)CC1CCCCC1 ZINC000362586638 372444746 /nfs/dbraw/zinc/44/47/46/372444746.db2.gz BDXDMEVFPJALFU-UHFFFAOYSA-N 2 1 265.401 2.066 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](CCO)CC1CCCCC1 ZINC000362586638 372444753 /nfs/dbraw/zinc/44/47/53/372444753.db2.gz BDXDMEVFPJALFU-UHFFFAOYSA-N 2 1 265.401 2.066 20 0 CEADMP CCN(C)C(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000362727586 372505786 /nfs/dbraw/zinc/50/57/86/372505786.db2.gz BMRAVOXLLMBDFI-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000269676905 372529657 /nfs/dbraw/zinc/52/96/57/372529657.db2.gz DIDZTXVYZSRJSF-UHFFFAOYSA-N 2 1 291.439 2.210 20 0 CEADMP CN(CCCC[NH+]1CCCCC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000641663441 372616981 /nfs/dbraw/zinc/61/69/81/372616981.db2.gz NPEQNZCHOXVOTF-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC000363460111 372638551 /nfs/dbraw/zinc/63/85/51/372638551.db2.gz WZNVANGIUUHBLV-INIZCTEOSA-N 2 1 266.429 2.077 20 0 CEADMP CSCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363577596 372642252 /nfs/dbraw/zinc/64/22/52/372642252.db2.gz PWDKUDAJHPMSPN-MGPQQGTHSA-N 2 1 254.443 2.156 20 0 CEADMP CSCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363577596 372642257 /nfs/dbraw/zinc/64/22/57/372642257.db2.gz PWDKUDAJHPMSPN-MGPQQGTHSA-N 2 1 254.443 2.156 20 0 CEADMP CSCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363577596 372642261 /nfs/dbraw/zinc/64/22/61/372642261.db2.gz PWDKUDAJHPMSPN-MGPQQGTHSA-N 2 1 254.443 2.156 20 0 CEADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000269928235 372603553 /nfs/dbraw/zinc/60/35/53/372603553.db2.gz CIDREFXOHGQNLV-NFAWXSAZSA-N 2 1 280.437 2.172 20 0 CEADMP CCN(C)C(=O)C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000364347109 372733794 /nfs/dbraw/zinc/73/37/94/372733794.db2.gz LLTDKBOOZLIIJV-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000641770421 372711420 /nfs/dbraw/zinc/71/14/20/372711420.db2.gz QYKMFRHANLWKBN-MRXNPFEDSA-N 2 1 289.423 2.350 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cccc2[nH]ccc21 ZINC000641771937 372716253 /nfs/dbraw/zinc/71/62/53/372716253.db2.gz MZXXDMKCHOCXSJ-HNNXBMFYSA-N 2 1 289.423 2.350 20 0 CEADMP CCc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000641799291 372740224 /nfs/dbraw/zinc/74/02/24/372740224.db2.gz SNUJDIWRFWNXBG-RWMBFGLXSA-N 2 1 263.385 2.105 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000641798297 372740363 /nfs/dbraw/zinc/74/03/63/372740363.db2.gz FBRNCPZJNDPEAE-KBXIAJHMSA-N 2 1 266.429 2.454 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000641798940 372740423 /nfs/dbraw/zinc/74/04/23/372740423.db2.gz QZXSFVPEDKFJIF-ONGXEEELSA-N 2 1 284.306 2.177 20 0 CEADMP C[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000364463429 372740860 /nfs/dbraw/zinc/74/08/60/372740860.db2.gz FIDKRCCRSADHHA-OAGGEKHMSA-N 2 1 295.471 2.003 20 0 CEADMP COCC[NH2+]C1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000641799739 372741704 /nfs/dbraw/zinc/74/17/04/372741704.db2.gz QOSDGHXKONHQKE-MRXNPFEDSA-N 2 1 296.455 2.179 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cccnc1C(F)(F)F ZINC000641800865 372744310 /nfs/dbraw/zinc/74/43/10/372744310.db2.gz HNFCYTKOJXSUNP-NXEZZACHSA-N 2 1 273.302 2.316 20 0 CEADMP Cc1cc(C)c(NC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c(C)c1 ZINC000641808324 372756575 /nfs/dbraw/zinc/75/65/75/372756575.db2.gz XYMVYCWZBFTFJL-ZIAGYGMSSA-N 2 1 289.423 2.266 20 0 CEADMP O[C@]1(C[NH2+]C2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000344550628 217229221 /nfs/dbraw/zinc/22/92/21/217229221.db2.gz QHPUDVANXDNERH-KRWDZBQOSA-N 2 1 274.408 2.156 20 0 CEADMP O[C@]1(C[NH2+]C2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344550628 217229223 /nfs/dbraw/zinc/22/92/23/217229223.db2.gz QHPUDVANXDNERH-KRWDZBQOSA-N 2 1 274.408 2.156 20 0 CEADMP CCc1nc(C)c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])o1 ZINC000641797344 372738028 /nfs/dbraw/zinc/73/80/28/372738028.db2.gz ASBFBECPPUXWIS-GFCCVEGCSA-N 2 1 251.374 2.249 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CCCC[C@@H]2CC[NH3+])o1 ZINC000641797344 372738036 /nfs/dbraw/zinc/73/80/36/372738036.db2.gz ASBFBECPPUXWIS-GFCCVEGCSA-N 2 1 251.374 2.249 20 0 CEADMP Cc1cccc(NC2CC[NH+](CC(C)(C)O)CC2)[nH+]1 ZINC000364624603 372775018 /nfs/dbraw/zinc/77/50/18/372775018.db2.gz JIWLGYMLRYCVOF-UHFFFAOYSA-N 2 1 263.385 2.037 20 0 CEADMP COCCC[N@@H+]1CCC[C@H]1CN1CCCCCC1 ZINC000364633310 372777903 /nfs/dbraw/zinc/77/79/03/372777903.db2.gz SBTQQDKJOQHKRY-HNNXBMFYSA-N 2 1 254.418 2.363 20 0 CEADMP COCCC[N@H+]1CCC[C@H]1CN1CCCCCC1 ZINC000364633310 372777911 /nfs/dbraw/zinc/77/79/11/372777911.db2.gz SBTQQDKJOQHKRY-HNNXBMFYSA-N 2 1 254.418 2.363 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cs1 ZINC000353455039 220093505 /nfs/dbraw/zinc/09/35/05/220093505.db2.gz NRPUSCJWPZQDLX-KFWWJZLASA-N 2 1 279.453 2.456 20 0 CEADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000353444985 220087678 /nfs/dbraw/zinc/08/76/78/220087678.db2.gz VXAPBAIJRVIOJW-ARFHVFGLSA-N 2 1 259.397 2.352 20 0 CEADMP C[C@H]([NH2+]CC1(C(N)=O)CCCC1)[C@H]1CCCC[NH2+]1 ZINC000333284620 205181396 /nfs/dbraw/zinc/18/13/96/205181396.db2.gz NBHSAEAUZSXDJE-NWDGAFQWSA-N 2 1 253.390 2.202 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)CCOc1ccccc1 ZINC000270667528 372890975 /nfs/dbraw/zinc/89/09/75/372890975.db2.gz QKWPWRJOWTUKRS-UHFFFAOYSA-N 2 1 259.353 2.202 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)CCOc1ccccc1 ZINC000270667528 372890983 /nfs/dbraw/zinc/89/09/83/372890983.db2.gz QKWPWRJOWTUKRS-UHFFFAOYSA-N 2 1 259.353 2.202 20 0 CEADMP COc1ccc(OCC[N@H+](C)CCn2cc[nH+]c2C)cc1 ZINC000270688103 372901921 /nfs/dbraw/zinc/90/19/21/372901921.db2.gz WPNAUVPSMYUNJT-UHFFFAOYSA-N 2 1 289.379 2.211 20 0 CEADMP COc1ccc(OCC[N@@H+](C)CCn2cc[nH+]c2C)cc1 ZINC000270688103 372901925 /nfs/dbraw/zinc/90/19/25/372901925.db2.gz WPNAUVPSMYUNJT-UHFFFAOYSA-N 2 1 289.379 2.211 20 0 CEADMP C[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c2ccsc21 ZINC000643038789 372930142 /nfs/dbraw/zinc/93/01/42/372930142.db2.gz ATMSIBHQVVCWDW-UWVGGRQHSA-N 2 1 265.357 2.433 20 0 CEADMP COCC[N@@H+](CCc1ccccc1)CCn1cc[nH+]c1C ZINC000270838917 372976599 /nfs/dbraw/zinc/97/65/99/372976599.db2.gz NFCXOPZHOQXTHR-UHFFFAOYSA-N 2 1 287.407 2.383 20 0 CEADMP COCC[N@H+](CCc1ccccc1)CCn1cc[nH+]c1C ZINC000270838917 372976610 /nfs/dbraw/zinc/97/66/10/372976610.db2.gz NFCXOPZHOQXTHR-UHFFFAOYSA-N 2 1 287.407 2.383 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn(C)c1 ZINC000366258169 373018016 /nfs/dbraw/zinc/01/80/16/373018016.db2.gz HPHFSSVBSGPPCI-ILXRZTDVSA-N 2 1 262.401 2.088 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cnn(C)c1 ZINC000366258169 373018020 /nfs/dbraw/zinc/01/80/20/373018020.db2.gz HPHFSSVBSGPPCI-ILXRZTDVSA-N 2 1 262.401 2.088 20 0 CEADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCOC1 ZINC000643353270 373082838 /nfs/dbraw/zinc/08/28/38/373082838.db2.gz BXPZLBZGBRFQAU-INIZCTEOSA-N 2 1 292.423 2.238 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1ccccn1 ZINC000271043563 373086175 /nfs/dbraw/zinc/08/61/75/373086175.db2.gz UQDFQDKNHIOHTO-UHFFFAOYSA-N 2 1 258.369 2.151 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1ccccn1 ZINC000271043563 373086178 /nfs/dbraw/zinc/08/61/78/373086178.db2.gz UQDFQDKNHIOHTO-UHFFFAOYSA-N 2 1 258.369 2.151 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccnn1C ZINC000643484131 373151006 /nfs/dbraw/zinc/15/10/06/373151006.db2.gz APHRMCPVOLGFMI-STQMWFEESA-N 2 1 287.411 2.318 20 0 CEADMP C([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)[C@H]1CCCC[NH2+]1 ZINC000643502732 373162279 /nfs/dbraw/zinc/16/22/79/373162279.db2.gz OSRUNIAFBQGKQF-ZJIFWQFVSA-N 2 1 266.429 2.313 20 0 CEADMP c1n[nH]c2c1[C@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCC2 ZINC000367600021 373165346 /nfs/dbraw/zinc/16/53/46/373165346.db2.gz ZDNKOOMTBDKDSB-OAHLLOKOSA-N 2 1 274.412 2.251 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000643455601 373125463 /nfs/dbraw/zinc/12/54/63/373125463.db2.gz CKIOGHIDROYNLA-OLZOCXBDSA-N 2 1 262.353 2.165 20 0 CEADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000643471924 373141036 /nfs/dbraw/zinc/14/10/36/373141036.db2.gz SHUBVOBVQPCRQM-DZGCQCFKSA-N 2 1 277.412 2.347 20 0 CEADMP c1c[nH]c([C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc2)n1 ZINC000643520260 373176197 /nfs/dbraw/zinc/17/61/97/373176197.db2.gz AFTGKVFXXWOZSW-OAHLLOKOSA-N 2 1 268.364 2.008 20 0 CEADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000643528107 373185424 /nfs/dbraw/zinc/18/54/24/373185424.db2.gz ZPMNYJNJEDCUEI-PELKAZGASA-N 2 1 269.186 2.373 20 0 CEADMP CCN(CC)C(=O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367759205 373185743 /nfs/dbraw/zinc/18/57/43/373185743.db2.gz XJPHXVWGOZHQLT-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1Br ZINC000643529181 373187166 /nfs/dbraw/zinc/18/71/66/373187166.db2.gz WNVQSBQMEKTQFE-BDAKNGLRSA-N 2 1 287.201 2.456 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCSC2)[C@@H]2CCC[C@@H]21 ZINC000353604103 220186214 /nfs/dbraw/zinc/18/62/14/220186214.db2.gz IFWWOXJFYYIZBE-XUXIUFHCSA-N 2 1 254.443 2.202 20 0 CEADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353629863 220204481 /nfs/dbraw/zinc/20/44/81/220204481.db2.gz GGBIDPNHIDUQSW-BRWVUGGUSA-N 2 1 273.424 2.395 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000644574934 373539285 /nfs/dbraw/zinc/53/92/85/373539285.db2.gz MOPTVPFCUCNXMR-DAXOMENPSA-N 2 1 296.842 2.316 20 0 CEADMP CCC1(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644585618 373545483 /nfs/dbraw/zinc/54/54/83/373545483.db2.gz QDGFNZLRKZQWNR-INIZCTEOSA-N 2 1 276.424 2.259 20 0 CEADMP CCC1(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644585618 373545489 /nfs/dbraw/zinc/54/54/89/373545489.db2.gz QDGFNZLRKZQWNR-INIZCTEOSA-N 2 1 276.424 2.259 20 0 CEADMP CCOCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000370678012 373714562 /nfs/dbraw/zinc/71/45/62/373714562.db2.gz SHUMLTZEJRVIMS-AGUYFDCRSA-N 2 1 254.418 2.264 20 0 CEADMP CCc1nc([C@H]2CCCN(CC[C@@H]3CCC[N@H+]3C)C2)no1 ZINC000371200199 373810889 /nfs/dbraw/zinc/81/08/89/373810889.db2.gz ZDQKDSZZOQKUOI-KBPBESRZSA-N 2 1 292.427 2.296 20 0 CEADMP CCc1nc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)no1 ZINC000371200199 373810896 /nfs/dbraw/zinc/81/08/96/373810896.db2.gz ZDQKDSZZOQKUOI-KBPBESRZSA-N 2 1 292.427 2.296 20 0 CEADMP CCc1nc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)no1 ZINC000371200199 373810903 /nfs/dbraw/zinc/81/09/03/373810903.db2.gz ZDQKDSZZOQKUOI-KBPBESRZSA-N 2 1 292.427 2.296 20 0 CEADMP CCc1nc([C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)no1 ZINC000371200199 373810911 /nfs/dbraw/zinc/81/09/11/373810911.db2.gz ZDQKDSZZOQKUOI-KBPBESRZSA-N 2 1 292.427 2.296 20 0 CEADMP CCc1nc([C@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)no1 ZINC000371200199 373810916 /nfs/dbraw/zinc/81/09/16/373810916.db2.gz ZDQKDSZZOQKUOI-KBPBESRZSA-N 2 1 292.427 2.296 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000371205400 373811499 /nfs/dbraw/zinc/81/14/99/373811499.db2.gz RMTLXXDDVHMLPE-GDBMZVCRSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000371205400 373811503 /nfs/dbraw/zinc/81/15/03/373811503.db2.gz RMTLXXDDVHMLPE-GDBMZVCRSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000371205400 373811505 /nfs/dbraw/zinc/81/15/05/373811505.db2.gz RMTLXXDDVHMLPE-GDBMZVCRSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000371205400 373811507 /nfs/dbraw/zinc/81/15/07/373811507.db2.gz RMTLXXDDVHMLPE-GDBMZVCRSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1[nH]c2nc[nH+]c(NCC3CC[NH+](C)CC3)c2c1C ZINC000645151367 373880972 /nfs/dbraw/zinc/88/09/72/373880972.db2.gz PALLKLYUNRZDBG-UHFFFAOYSA-N 2 1 273.384 2.328 20 0 CEADMP Cc1cc(N2CC[NH+](Cc3ccccn3)CC2)cc[nH+]1 ZINC000274410273 373911158 /nfs/dbraw/zinc/91/11/58/373911158.db2.gz ZUKPUGXXGRIHCL-UHFFFAOYSA-N 2 1 268.364 2.107 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2Cc3ccccc3O2)CC[N@@H+]1C ZINC000372017409 374022996 /nfs/dbraw/zinc/02/29/96/374022996.db2.gz NZVUFIHGNNNQIK-FVQBIDKESA-N 2 1 274.408 2.405 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2Cc3ccccc3O2)CC[N@H+]1C ZINC000372017409 374023001 /nfs/dbraw/zinc/02/30/01/374023001.db2.gz NZVUFIHGNNNQIK-FVQBIDKESA-N 2 1 274.408 2.405 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2Cc3ccccc3O2)CC[NH+]1C ZINC000372017409 374023012 /nfs/dbraw/zinc/02/30/12/374023012.db2.gz NZVUFIHGNNNQIK-FVQBIDKESA-N 2 1 274.408 2.405 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2Cc3ccccc3O2)CC[NH+]1C ZINC000372017409 374023017 /nfs/dbraw/zinc/02/30/17/374023017.db2.gz NZVUFIHGNNNQIK-FVQBIDKESA-N 2 1 274.408 2.405 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCOC(C)(C)C1 ZINC000372424403 374126436 /nfs/dbraw/zinc/12/64/36/374126436.db2.gz DNLUAGZVDZKXFP-UHFFFAOYSA-N 2 1 265.401 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCOC(C)(C)C1 ZINC000372424403 374126442 /nfs/dbraw/zinc/12/64/42/374126442.db2.gz DNLUAGZVDZKXFP-UHFFFAOYSA-N 2 1 265.401 2.473 20 0 CEADMP COC(=O)c1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)oc1C ZINC000275120716 374160401 /nfs/dbraw/zinc/16/04/01/374160401.db2.gz VGLOCVPIBQKBIU-ABAIWWIYSA-N 2 1 294.395 2.147 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000276686891 374265433 /nfs/dbraw/zinc/26/54/33/374265433.db2.gz RMKLPUHWQOWCFZ-GFCCVEGCSA-N 2 1 259.353 2.322 20 0 CEADMP CC[NH+]1CCC([N@H+](C[C@H](O)CC(F)(F)F)C2CC2)CC1 ZINC000373744045 374414441 /nfs/dbraw/zinc/41/44/41/374414441.db2.gz YLUQAPRVZCDYRS-CYBMUJFWSA-N 2 1 294.361 2.248 20 0 CEADMP CC[NH+]1CCC([N@@H+](C[C@H](O)CC(F)(F)F)C2CC2)CC1 ZINC000373744045 374414446 /nfs/dbraw/zinc/41/44/46/374414446.db2.gz YLUQAPRVZCDYRS-CYBMUJFWSA-N 2 1 294.361 2.248 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)Cc2ccccc2)CC1 ZINC000277184241 374431444 /nfs/dbraw/zinc/43/14/44/374431444.db2.gz LJTVNBMLKKXPHB-DLBZAZTESA-N 2 1 276.424 2.006 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(F)cc2)CCCO1 ZINC000277656610 374598729 /nfs/dbraw/zinc/59/87/29/374598729.db2.gz FBQYHZKCIWSUIG-AWEZNQCLSA-N 2 1 280.387 2.416 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccncc1 ZINC000278403386 374807390 /nfs/dbraw/zinc/80/73/90/374807390.db2.gz DQXDNAKXWLLOSJ-HUUCEWRRSA-N 2 1 277.412 2.233 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccncc1 ZINC000278403386 374807393 /nfs/dbraw/zinc/80/73/93/374807393.db2.gz DQXDNAKXWLLOSJ-HUUCEWRRSA-N 2 1 277.412 2.233 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000376995953 374770696 /nfs/dbraw/zinc/77/06/96/374770696.db2.gz DQMBTDNUHVVOJG-IXDOHACOSA-N 2 1 298.471 2.140 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000278360601 374793488 /nfs/dbraw/zinc/79/34/88/374793488.db2.gz JGGNTFPGZWGEJL-UHFFFAOYSA-N 2 1 265.376 2.495 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)o1 ZINC000377691268 374924075 /nfs/dbraw/zinc/92/40/75/374924075.db2.gz HUBNRIQGAGOJAZ-MRXNPFEDSA-N 2 1 291.439 2.190 20 0 CEADMP Cc1ccc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)o1 ZINC000377691268 374924081 /nfs/dbraw/zinc/92/40/81/374924081.db2.gz HUBNRIQGAGOJAZ-MRXNPFEDSA-N 2 1 291.439 2.190 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccsc1 ZINC000378371274 375085994 /nfs/dbraw/zinc/08/59/94/375085994.db2.gz OHYMOLGFZRHPTI-QLFBSQMISA-N 2 1 280.437 2.432 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccsc1 ZINC000378371274 375086000 /nfs/dbraw/zinc/08/60/00/375086000.db2.gz OHYMOLGFZRHPTI-QLFBSQMISA-N 2 1 280.437 2.432 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2C(C)(C)C)C[C@@]1(C)C[NH3+] ZINC000379998620 375157830 /nfs/dbraw/zinc/15/78/30/375157830.db2.gz OOLOBQSOGLNMCG-MLGOLLRUSA-N 2 1 278.444 2.134 20 0 CEADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](C[C@@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000280428555 375201875 /nfs/dbraw/zinc/20/18/75/375201875.db2.gz MIJPAVUDDCKFCJ-KSZLIROESA-N 2 1 286.419 2.229 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](C[C@@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000280428555 375201883 /nfs/dbraw/zinc/20/18/83/375201883.db2.gz MIJPAVUDDCKFCJ-KSZLIROESA-N 2 1 286.419 2.229 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](C[C@@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000280428555 375201889 /nfs/dbraw/zinc/20/18/89/375201889.db2.gz MIJPAVUDDCKFCJ-KSZLIROESA-N 2 1 286.419 2.229 20 0 CEADMP OCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280488696 375218223 /nfs/dbraw/zinc/21/82/23/375218223.db2.gz QCNHMIWSDVMKSY-HDICACEKSA-N 2 1 288.435 2.213 20 0 CEADMP OCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280488696 375218229 /nfs/dbraw/zinc/21/82/29/375218229.db2.gz QCNHMIWSDVMKSY-HDICACEKSA-N 2 1 288.435 2.213 20 0 CEADMP OCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280488696 375218237 /nfs/dbraw/zinc/21/82/37/375218237.db2.gz QCNHMIWSDVMKSY-HDICACEKSA-N 2 1 288.435 2.213 20 0 CEADMP C[N@@H+](CCOc1ccc(Cl)cc1)C1CC([NH3+])C1 ZINC000384860059 375219421 /nfs/dbraw/zinc/21/94/21/375219421.db2.gz DFMDEJRTKCLUFQ-UHFFFAOYSA-N 2 1 254.761 2.140 20 0 CEADMP CC(C)CC(C)(C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000391144230 375316296 /nfs/dbraw/zinc/31/62/96/375316296.db2.gz SOEGJGNJECKVGI-CQSZACIVSA-N 2 1 256.434 2.103 20 0 CEADMP CC(C)CC(C)(C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000391144230 375316299 /nfs/dbraw/zinc/31/62/99/375316299.db2.gz SOEGJGNJECKVGI-CQSZACIVSA-N 2 1 256.434 2.103 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399067470 375356662 /nfs/dbraw/zinc/35/66/62/375356662.db2.gz KYIRUPTVZFSGKR-KCQAQPDRSA-N 2 1 262.397 2.356 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)nn1C ZINC000282183911 375423502 /nfs/dbraw/zinc/42/35/02/375423502.db2.gz MYKYEXIWEVAPRN-CYBMUJFWSA-N 2 1 275.400 2.364 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(F)cc(F)c2)CC1(C)C ZINC000282519280 375505187 /nfs/dbraw/zinc/50/51/87/375505187.db2.gz YCIGDIFUXYYXNT-UHFFFAOYSA-N 2 1 297.393 2.080 20 0 CEADMP C[N@@H+](CCCCNC(=O)CC[C@@H]1CCCC[NH+]1C)C1CC1 ZINC000412420001 375553813 /nfs/dbraw/zinc/55/38/13/375553813.db2.gz HJMSVXHHRQYWHH-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CCCCNC(=O)CC[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000412420001 375553820 /nfs/dbraw/zinc/55/38/20/375553820.db2.gz HJMSVXHHRQYWHH-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CCCCNC(=O)CC[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000412420001 375553827 /nfs/dbraw/zinc/55/38/27/375553827.db2.gz HJMSVXHHRQYWHH-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC000283922218 375781022 /nfs/dbraw/zinc/78/10/22/375781022.db2.gz KEUMYZYAXJWOLH-IBGZPJMESA-N 2 1 299.462 2.431 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC(=O)Nc2cccc(F)c2)CC[NH2+]1 ZINC000414672891 375911582 /nfs/dbraw/zinc/91/15/82/375911582.db2.gz IEAWZQJRAMEAKX-OLZOCXBDSA-N 2 1 293.386 2.084 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000414793407 375975438 /nfs/dbraw/zinc/97/54/38/375975438.db2.gz KNVTTZCYWVFCGL-HNNXBMFYSA-N 2 1 272.396 2.160 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)C1CC1 ZINC000414794230 375977089 /nfs/dbraw/zinc/97/70/89/375977089.db2.gz FLUKKIKKDMMHEA-IRXDYDNUSA-N 2 1 290.407 2.071 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000261554448 190040594 /nfs/dbraw/zinc/04/05/94/190040594.db2.gz UFDWMUNGMYKWKE-WMLDXEAASA-N 2 1 291.439 2.141 20 0 CEADMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCC[NH3+])c1 ZINC000414677315 375913852 /nfs/dbraw/zinc/91/38/52/375913852.db2.gz IWRGBYMUNVWILE-AWEZNQCLSA-N 2 1 264.369 2.190 20 0 CEADMP CCN(CCC[NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414688890 375919040 /nfs/dbraw/zinc/91/90/40/375919040.db2.gz KAAQDJXPSSPDKY-RDJZCZTQSA-N 2 1 275.440 2.493 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@@H]([NH3+])CC(C)C)[C@H](C)C1 ZINC000414699098 375926034 /nfs/dbraw/zinc/92/60/34/375926034.db2.gz JGTDBGQVIDYJSE-ILXRZTDVSA-N 2 1 255.450 2.022 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](CCCO)CC(C)(C)C)CC[NH2+]1 ZINC000414704487 375929883 /nfs/dbraw/zinc/92/98/83/375929883.db2.gz WBZONSCVRYYDGF-ZIAGYGMSSA-N 2 1 256.434 2.105 20 0 CEADMP [NH3+]CCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000414735876 375942989 /nfs/dbraw/zinc/94/29/89/375942989.db2.gz CHATZQCJLCBWMK-OAHLLOKOSA-N 2 1 290.411 2.011 20 0 CEADMP CN(C[C@@H]1CCC[N@@H+](C)C1)c1nc2ccccc2[nH]1 ZINC000258834308 190038412 /nfs/dbraw/zinc/03/84/12/190038412.db2.gz OOEDHJSNZBPERZ-GFCCVEGCSA-N 2 1 258.369 2.341 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000414807811 375993164 /nfs/dbraw/zinc/99/31/64/375993164.db2.gz RNYCLHJLZCVFAX-DTWKUNHWSA-N 2 1 259.806 2.404 20 0 CEADMP C[C@@H]([NH2+]Cc1cncc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000414818249 376004349 /nfs/dbraw/zinc/00/43/49/376004349.db2.gz DISQQHOWBRYZLT-PWSUYJOCSA-N 2 1 298.228 2.322 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000414799743 375985183 /nfs/dbraw/zinc/98/51/83/375985183.db2.gz GXXJIKDTELSVAY-UHFFFAOYSA-N 2 1 266.385 2.311 20 0 CEADMP CCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1OCC ZINC000414800897 375985636 /nfs/dbraw/zinc/98/56/36/375985636.db2.gz LOOVJIMPKYAYJZ-AWEZNQCLSA-N 2 1 278.396 2.311 20 0 CEADMP C[C@@H](CCC[NH3+])NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000417049823 376181398 /nfs/dbraw/zinc/18/13/98/376181398.db2.gz VJTXXOSTYWCNPY-LSDHHAIUSA-N 2 1 298.475 2.068 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)CC(C)C ZINC000417355225 376187034 /nfs/dbraw/zinc/18/70/34/376187034.db2.gz FOJOOOSNGBFHOQ-APIJFGDWSA-N 2 1 256.434 2.366 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287817795 376321282 /nfs/dbraw/zinc/32/12/82/376321282.db2.gz VATAHUMYVJTRIN-AWEZNQCLSA-N 2 1 297.406 2.180 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1O ZINC000289558530 376402015 /nfs/dbraw/zinc/40/20/15/376402015.db2.gz COFPLSBXXVMFJR-NSHDSACASA-N 2 1 275.352 2.257 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000556923978 376516732 /nfs/dbraw/zinc/51/67/32/376516732.db2.gz OTOLRDUTPUGZSU-HZMVEIRTSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000556923978 376516735 /nfs/dbraw/zinc/51/67/35/376516735.db2.gz OTOLRDUTPUGZSU-HZMVEIRTSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000556923978 376516742 /nfs/dbraw/zinc/51/67/42/376516742.db2.gz OTOLRDUTPUGZSU-HZMVEIRTSA-N 3 1 279.472 2.323 20 0 CEADMP C[C@@H](CNC(=O)CCCC[NH+](C)C)[N@H+]1CCCC[C@@H]1C ZINC000556940499 376521188 /nfs/dbraw/zinc/52/11/88/376521188.db2.gz YPIJXPDLZNOLOS-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CN(Cc1cnccn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556773467 376484057 /nfs/dbraw/zinc/48/40/57/376484057.db2.gz URSSZWUZNZUJAR-QGZVFWFLSA-N 2 1 296.418 2.431 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CCCc2ccc(F)cc21)C[NH+]1CCCC1 ZINC000305781552 376487555 /nfs/dbraw/zinc/48/75/55/376487555.db2.gz PBFALMVYLIKYAK-NVXWUHKLSA-N 2 1 292.398 2.249 20 0 CEADMP CC(C)c1cc(N2CCC[C@H](C)[C@H]2C[NH3+])nc(N(C)C)[nH+]1 ZINC000420179845 376593786 /nfs/dbraw/zinc/59/37/86/376593786.db2.gz CJJGGVNHCFKARS-GXTWGEPZSA-N 2 1 291.443 2.230 20 0 CEADMP CC[C@@H](O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310022223 376613763 /nfs/dbraw/zinc/61/37/63/376613763.db2.gz SIDJGASGZRIOMK-FGTMMUONSA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@@H](O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310022223 376613767 /nfs/dbraw/zinc/61/37/67/376613767.db2.gz SIDJGASGZRIOMK-FGTMMUONSA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@@H](O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310022223 376613775 /nfs/dbraw/zinc/61/37/75/376613775.db2.gz SIDJGASGZRIOMK-FGTMMUONSA-N 2 1 288.435 2.211 20 0 CEADMP C(CC1CCOCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000310651657 376630723 /nfs/dbraw/zinc/63/07/23/376630723.db2.gz YQXDQXAHGDQWPD-HUUCEWRRSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)[C@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000559257395 376668961 /nfs/dbraw/zinc/66/89/61/376668961.db2.gz IPQKAJGPZQRRCG-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000559257395 376668969 /nfs/dbraw/zinc/66/89/69/376668969.db2.gz IPQKAJGPZQRRCG-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP C(CC1CCOCC1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000310751475 376634989 /nfs/dbraw/zinc/63/49/89/376634989.db2.gz VNDPMGHKNMDDFM-GJZGRUSLSA-N 2 1 252.402 2.020 20 0 CEADMP CCC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000558722129 376642539 /nfs/dbraw/zinc/64/25/39/376642539.db2.gz YZWJJZDWSMDMIE-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000311979708 376698073 /nfs/dbraw/zinc/69/80/73/376698073.db2.gz MMXXUEXPPRCKHB-HOCLYGCPSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000311979708 376698079 /nfs/dbraw/zinc/69/80/79/376698079.db2.gz MMXXUEXPPRCKHB-HOCLYGCPSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000311979708 376698084 /nfs/dbraw/zinc/69/80/84/376698084.db2.gz MMXXUEXPPRCKHB-HOCLYGCPSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000311979708 376698090 /nfs/dbraw/zinc/69/80/90/376698090.db2.gz MMXXUEXPPRCKHB-HOCLYGCPSA-N 2 1 268.445 2.200 20 0 CEADMP Cc1cc(C)c(C[N@H+]2CCCO[C@H](C[NH3+])C2)c(C)c1 ZINC000313401931 376744140 /nfs/dbraw/zinc/74/41/40/376744140.db2.gz UIHRPAURHQEQOQ-OAHLLOKOSA-N 2 1 262.397 2.161 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](O)c2ccccc2)CC1 ZINC000290454074 376786059 /nfs/dbraw/zinc/78/60/59/376786059.db2.gz WDJBVSZRCOJJCI-XJKSGUPXSA-N 2 1 262.397 2.182 20 0 CEADMP C=Cn1cc(C[N@H+](C)CCCn2cc[nH+]c2C)cn1 ZINC000290464072 376790471 /nfs/dbraw/zinc/79/04/71/376790471.db2.gz NEBCCEFOSGDFCF-UHFFFAOYSA-N 2 1 259.357 2.011 20 0 CEADMP C=Cn1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)cn1 ZINC000290464072 376790479 /nfs/dbraw/zinc/79/04/79/376790479.db2.gz NEBCCEFOSGDFCF-UHFFFAOYSA-N 2 1 259.357 2.011 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000317360516 376809020 /nfs/dbraw/zinc/80/90/20/376809020.db2.gz FDYKYQMIJIOSMT-SFHVURJKSA-N 2 1 297.402 2.457 20 0 CEADMP COC1(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCCC1 ZINC000319537996 376817941 /nfs/dbraw/zinc/81/79/41/376817941.db2.gz BACFLUTZHNAYHS-BFHYXJOUSA-N 2 1 252.402 2.005 20 0 CEADMP Cc1nc(-c2ccc(C[NH2+][C@H](C)C3C[NH2+]C3)o2)cs1 ZINC000422936730 376864911 /nfs/dbraw/zinc/86/49/11/376864911.db2.gz FXRFBYSXWXKMKK-SECBINFHSA-N 2 1 277.393 2.409 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1O ZINC000422978648 376902726 /nfs/dbraw/zinc/90/27/26/376902726.db2.gz ZXRJVAPSWINWMH-STQMWFEESA-N 2 1 264.369 2.150 20 0 CEADMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000328640362 376869555 /nfs/dbraw/zinc/86/95/55/376869555.db2.gz FAYXLEMJQUUXDI-CHWSQXEVSA-N 2 1 276.384 2.201 20 0 CEADMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000328640362 376869564 /nfs/dbraw/zinc/86/95/64/376869564.db2.gz FAYXLEMJQUUXDI-CHWSQXEVSA-N 2 1 276.384 2.201 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422979140 376902903 /nfs/dbraw/zinc/90/29/03/376902903.db2.gz LKSZXYDEQWJAAK-KGLIPLIRSA-N 2 1 256.434 2.438 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CCCC1 ZINC000422960976 376886316 /nfs/dbraw/zinc/88/63/16/376886316.db2.gz AHGDQIKEJMSEGZ-QBPKDAKJSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000422960999 376887285 /nfs/dbraw/zinc/88/72/85/376887285.db2.gz AKSYBXZFZFOYQD-BZUAXINKSA-N 2 1 291.439 2.394 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)CC2 ZINC000423079421 376971475 /nfs/dbraw/zinc/97/14/75/376971475.db2.gz QTRYBUOFAXRJMN-CWRNSKLLSA-N 2 1 290.455 2.442 20 0 CEADMP CC[C@H]([NH2+]CCOCc1cccc(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000422997150 376914704 /nfs/dbraw/zinc/91/47/04/376914704.db2.gz AQCHTEJIWLOXJD-IRXDYDNUSA-N 2 1 292.423 2.332 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422998169 376914889 /nfs/dbraw/zinc/91/48/89/376914889.db2.gz CKZDRVOTZOKRRM-MJBXVCDLSA-N 2 1 256.434 2.150 20 0 CEADMP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1(C2CC2)CCC1 ZINC000422998174 376915300 /nfs/dbraw/zinc/91/53/00/376915300.db2.gz CLLBEIVQKLELDR-JYJNAYRXSA-N 2 1 278.440 2.313 20 0 CEADMP Cc1cnc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000423015465 376929524 /nfs/dbraw/zinc/92/95/24/376929524.db2.gz RAKFNWMKNJVIBI-DLBZAZTESA-N 2 1 296.418 2.410 20 0 CEADMP Cc1csc([C@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)n1 ZINC000423035729 376944104 /nfs/dbraw/zinc/94/41/04/376944104.db2.gz JVZBSBVSAGOJCJ-YUSALJHKSA-N 2 1 253.415 2.285 20 0 CEADMP CC1=CC[N@@H+](CCN[C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000423040480 376946009 /nfs/dbraw/zinc/94/60/09/376946009.db2.gz UHALXIKNMGFXLF-FUHWJXTLSA-N 2 1 287.451 2.187 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)CC2 ZINC000423067898 376956685 /nfs/dbraw/zinc/95/66/85/376956685.db2.gz ANVAOXDSMYNQEZ-QEJZJMRPSA-N 2 1 276.428 2.051 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)CC2 ZINC000423067900 376957220 /nfs/dbraw/zinc/95/72/20/376957220.db2.gz ANVAOXDSMYNQEZ-VHDGCEQUSA-N 2 1 276.428 2.051 20 0 CEADMP C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423118562 377012113 /nfs/dbraw/zinc/01/21/13/377012113.db2.gz BELOVHGPCYBFMU-NVBFEUDRSA-N 2 1 264.344 2.379 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+](C1CC1)C1CCCCC1)C1CC1 ZINC000685561370 542155190 /nfs/dbraw/zinc/15/51/90/542155190.db2.gz CCBYVMSSRPWOFF-INIZCTEOSA-N 2 1 266.429 2.239 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+](C1CC1)C1CCCCC1)C1CC1 ZINC000685561370 542155194 /nfs/dbraw/zinc/15/51/94/542155194.db2.gz CCBYVMSSRPWOFF-INIZCTEOSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C1CC1)C1CCCCC1)C1CC1 ZINC000685561370 542155199 /nfs/dbraw/zinc/15/51/99/542155199.db2.gz CCBYVMSSRPWOFF-INIZCTEOSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C1CC1)C1CCCCC1)C1CC1 ZINC000685561370 542155203 /nfs/dbraw/zinc/15/52/03/542155203.db2.gz CCBYVMSSRPWOFF-INIZCTEOSA-N 2 1 266.429 2.239 20 0 CEADMP CO[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Cc1ccccc1 ZINC000423150669 377052275 /nfs/dbraw/zinc/05/22/75/377052275.db2.gz BSBKPRYPYGYYJP-UKRRQHHQSA-N 2 1 285.391 2.402 20 0 CEADMP Cc1cccnc1C(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423133788 377033565 /nfs/dbraw/zinc/03/35/65/377033565.db2.gz CXEXNDWUQCLVDX-KGLIPLIRSA-N 2 1 261.413 2.398 20 0 CEADMP CO[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Cc1ccccc1 ZINC000423150670 377052537 /nfs/dbraw/zinc/05/25/37/377052537.db2.gz BSBKPRYPYGYYJP-ZFWWWQNUSA-N 2 1 285.391 2.402 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423141694 377039445 /nfs/dbraw/zinc/03/94/45/377039445.db2.gz RIQAZPZCTSBIQY-RRFJBIMHSA-N 2 1 255.450 2.214 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423088581 376982724 /nfs/dbraw/zinc/98/27/24/376982724.db2.gz SHJWJWWDFXFCSH-HTUJPFKRSA-N 2 1 299.462 2.381 20 0 CEADMP CCCc1ncc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])o1 ZINC000423149071 377049466 /nfs/dbraw/zinc/04/94/66/377049466.db2.gz AHBSHOVFBFBREY-WCQYABFASA-N 2 1 251.374 2.234 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423088581 376982729 /nfs/dbraw/zinc/98/27/29/376982729.db2.gz SHJWJWWDFXFCSH-HTUJPFKRSA-N 3 1 299.462 2.381 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423088581 376982735 /nfs/dbraw/zinc/98/27/35/376982735.db2.gz SHJWJWWDFXFCSH-HTUJPFKRSA-N 3 1 299.462 2.381 20 0 CEADMP Cc1cccc(CCC[NH2+][C@H](C)c2c[nH+]ccc2N)n1 ZINC000423112081 377005786 /nfs/dbraw/zinc/00/57/86/377005786.db2.gz WYPLNCHGYRTRKT-CYBMUJFWSA-N 2 1 270.380 2.481 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CCC[NH3+])c(Br)c1 ZINC000423196825 377112977 /nfs/dbraw/zinc/11/29/77/377112977.db2.gz WLEGVZCEGAWYFC-VIFPVBQESA-N 2 1 287.201 2.457 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000423203268 377120812 /nfs/dbraw/zinc/12/08/12/377120812.db2.gz CDYPKNXVNNOORS-RYUDHWBXSA-N 2 1 266.360 2.485 20 0 CEADMP CC[C@H]([NH2+]CCc1scnc1C)[C@@H]1CCC[NH2+]1 ZINC000423158576 377062026 /nfs/dbraw/zinc/06/20/26/377062026.db2.gz OFKKLHCDPHZRDU-RYUDHWBXSA-N 2 1 253.415 2.114 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C12CCC2 ZINC000423165888 377070581 /nfs/dbraw/zinc/07/05/81/377070581.db2.gz BOQLYGOMKITQNY-LERXQTSPSA-N 2 1 261.369 2.102 20 0 CEADMP FC1(F)CC(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423168623 377075359 /nfs/dbraw/zinc/07/53/59/377075359.db2.gz UVMXNDLVRNYQOG-MGPQQGTHSA-N 2 1 288.382 2.169 20 0 CEADMP CC[C@H]([NH2+][C@H](CO)Cc1ccc(C)c(C)c1)[C@@H]1CCC[NH2+]1 ZINC000423170386 377076939 /nfs/dbraw/zinc/07/69/39/377076939.db2.gz XYETWUNJGZVCMC-BZSNNMDCSA-N 2 1 290.451 2.327 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000423172314 377079067 /nfs/dbraw/zinc/07/90/67/377079067.db2.gz SEFURLBNTKQDNP-GUBZILKMSA-N 2 1 253.415 2.408 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000423172315 377079731 /nfs/dbraw/zinc/07/97/31/377079731.db2.gz SEFURLBNTKQDNP-IVZWLZJFSA-N 2 1 253.415 2.408 20 0 CEADMP C[N@H+]1CC[C@H](NCC2([NH3+])CCCCC2)[C@H]2CCC[C@@H]21 ZINC000423175334 377083998 /nfs/dbraw/zinc/08/39/98/377083998.db2.gz DRVPVISEIMZTQA-ILXRZTDVSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)c1cccnc1)[C@@H]1CCCC[NH2+]1 ZINC000423182342 377095224 /nfs/dbraw/zinc/09/52/24/377095224.db2.gz LPJXPDLPIQUBCM-HIFRSBDPSA-N 2 1 261.413 2.479 20 0 CEADMP C[C@@H](NC1CC[NH2+]CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423188693 377103153 /nfs/dbraw/zinc/10/31/53/377103153.db2.gz QAIUCLWYRHSYMM-CQSZACIVSA-N 2 1 291.439 2.030 20 0 CEADMP [NH3+]CC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423190109 377105803 /nfs/dbraw/zinc/10/58/03/377105803.db2.gz RPYFGHYXNAOOTI-CYBMUJFWSA-N 2 1 283.213 2.319 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000423274275 377197165 /nfs/dbraw/zinc/19/71/65/377197165.db2.gz LRLGAOFLEKDJBA-VXGBXAGGSA-N 2 1 266.385 2.210 20 0 CEADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000423243318 377161942 /nfs/dbraw/zinc/16/19/42/377161942.db2.gz WEPZZBKLHSCLIS-KBPBESRZSA-N 2 1 270.417 2.088 20 0 CEADMP C[C@@H]1C[C@@H](NCC[NH2+]C2CCCCCC2)CC[N@H+]1C ZINC000423274984 377197393 /nfs/dbraw/zinc/19/73/93/377197393.db2.gz LCWYYPHAQTWEEN-ZBFHGGJFSA-N 2 1 267.461 2.371 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423261144 377179602 /nfs/dbraw/zinc/17/96/02/377179602.db2.gz JFUQDRQTNRRXEQ-HUUCEWRRSA-N 2 1 276.428 2.295 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423261344 377180076 /nfs/dbraw/zinc/18/00/76/377180076.db2.gz JSURBOOYUZOBMN-HIFRSBDPSA-N 2 1 283.460 2.131 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000423263916 377182094 /nfs/dbraw/zinc/18/20/94/377182094.db2.gz BKMLLJLOSYGLFL-YPMHNXCESA-N 2 1 264.369 2.092 20 0 CEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)[C@H]1CCCOC1 ZINC000423266809 377184804 /nfs/dbraw/zinc/18/48/04/377184804.db2.gz SHFKPIMLKPHLNE-AEGPPILISA-N 2 1 254.418 2.299 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(F)cc1N(C)C ZINC000423287920 377217754 /nfs/dbraw/zinc/21/77/54/377217754.db2.gz PIKUIESHBKEKEG-SNVBAGLBSA-N 2 1 253.365 2.280 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)C1(C(=O)OC)CCC1 ZINC000423295005 377222010 /nfs/dbraw/zinc/22/20/10/377222010.db2.gz DDKSDIRFGJDJNJ-STQMWFEESA-N 2 1 270.417 2.215 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423298079 377227611 /nfs/dbraw/zinc/22/76/11/377227611.db2.gz NBNJXIFIQDLUHH-IUODEOHRSA-N 2 1 250.386 2.347 20 0 CEADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423313574 377242571 /nfs/dbraw/zinc/24/25/71/377242571.db2.gz FWXSSFYKMHYCMS-DYVFJYSZSA-N 3 1 291.439 2.015 20 0 CEADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423313575 377242749 /nfs/dbraw/zinc/24/27/49/377242749.db2.gz FWXSSFYKMHYCMS-GUYCJALGSA-N 3 1 291.439 2.015 20 0 CEADMP CC(C)[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(F)ccc1F ZINC000423326203 377257762 /nfs/dbraw/zinc/25/77/62/377257762.db2.gz QTLWDNDRVYYINI-CQSZACIVSA-N 2 1 254.324 2.471 20 0 CEADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423276342 377200612 /nfs/dbraw/zinc/20/06/12/377200612.db2.gz OKRPYLHQNWFKAH-QEJZJMRPSA-N 2 1 250.386 2.336 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000423279725 377204326 /nfs/dbraw/zinc/20/43/26/377204326.db2.gz SXOVZMNCZBBGIB-NEPJUHHUSA-N 2 1 293.411 2.160 20 0 CEADMP Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)CCC2 ZINC000423278446 377205649 /nfs/dbraw/zinc/20/56/49/377205649.db2.gz PYSPFPMXRXXQHZ-RYUDHWBXSA-N 2 1 251.399 2.156 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000563966865 377329516 /nfs/dbraw/zinc/32/95/16/377329516.db2.gz ODTPQCRLFDETOS-OAHLLOKOSA-N 2 1 254.418 2.397 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000563714273 377282456 /nfs/dbraw/zinc/28/24/56/377282456.db2.gz MTHCBEQSXSFEBA-OAHLLOKOSA-N 2 1 275.396 2.267 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4ccccc4[nH]c3=O)C2)C1 ZINC000292803726 377290714 /nfs/dbraw/zinc/29/07/14/377290714.db2.gz NTNJQHGFMFQJLT-GOSISDBHSA-N 2 1 297.402 2.468 20 0 CEADMP CSC[C@H](O)C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000564077656 377342136 /nfs/dbraw/zinc/34/21/36/377342136.db2.gz MPMWUKVAABWPQZ-GDBMZVCRSA-N 2 1 296.480 2.211 20 0 CEADMP CSC[C@@H](O)C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000564077660 377342468 /nfs/dbraw/zinc/34/24/68/377342468.db2.gz MPMWUKVAABWPQZ-HOCLYGCPSA-N 2 1 296.480 2.211 20 0 CEADMP C[N@H+]1CCC[C@@]2(CCN(Cc3ccc(F)cn3)C2)C1 ZINC000293112827 377432990 /nfs/dbraw/zinc/43/29/90/377432990.db2.gz YPAYAMDTZZFUMC-OAHLLOKOSA-N 2 1 263.360 2.138 20 0 CEADMP Cc1ccc([C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C2CCC2)cc1 ZINC000427715519 377438424 /nfs/dbraw/zinc/43/84/24/377438424.db2.gz QLNFWBVEERARKG-IRXDYDNUSA-N 2 1 276.424 2.348 20 0 CEADMP Cc1ccccc1C(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000293056742 377410638 /nfs/dbraw/zinc/41/06/38/377410638.db2.gz RYJRXZISVIJMRY-OAHLLOKOSA-N 2 1 276.424 2.275 20 0 CEADMP Cc1ccccc1C(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000293056742 377410649 /nfs/dbraw/zinc/41/06/49/377410649.db2.gz RYJRXZISVIJMRY-OAHLLOKOSA-N 2 1 276.424 2.275 20 0 CEADMP C[N@H+]1CCC[C@]2(CCN(C[C@H](O)c3ccc(F)cc3)C2)C1 ZINC000293064914 377414133 /nfs/dbraw/zinc/41/41/33/377414133.db2.gz UYEXYPKDDRFKIC-IRXDYDNUSA-N 2 1 292.398 2.277 20 0 CEADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)c3ccc(F)cc3)C2)C1 ZINC000293064914 377414135 /nfs/dbraw/zinc/41/41/35/377414135.db2.gz UYEXYPKDDRFKIC-IRXDYDNUSA-N 2 1 292.398 2.277 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)c3ccc(F)cc3)C2)C1 ZINC000293064914 377414149 /nfs/dbraw/zinc/41/41/49/377414149.db2.gz UYEXYPKDDRFKIC-IRXDYDNUSA-N 2 1 292.398 2.277 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000564913184 377501392 /nfs/dbraw/zinc/50/13/92/377501392.db2.gz CYHIIZHHWFBTTO-OAGGEKHMSA-N 2 1 295.471 2.131 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000430737675 377547579 /nfs/dbraw/zinc/54/75/79/377547579.db2.gz XPTMIWKHBISFBC-LBPRGKRZSA-N 2 1 276.371 2.122 20 0 CEADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430916485 377563151 /nfs/dbraw/zinc/56/31/51/377563151.db2.gz HKGUNUPFQVFNCQ-HNNXBMFYSA-N 2 1 262.397 2.353 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000430922669 377568658 /nfs/dbraw/zinc/56/86/58/377568658.db2.gz BWJIEFULQGUUSN-JTQLQIEISA-N 2 1 256.752 2.302 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000430922669 377568662 /nfs/dbraw/zinc/56/86/62/377568662.db2.gz BWJIEFULQGUUSN-JTQLQIEISA-N 2 1 256.752 2.302 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)C1 ZINC000565161061 377579516 /nfs/dbraw/zinc/57/95/16/377579516.db2.gz FEQJEMDZDITIRM-KGLIPLIRSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000565161061 377579525 /nfs/dbraw/zinc/57/95/25/377579525.db2.gz FEQJEMDZDITIRM-KGLIPLIRSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000565161061 377579529 /nfs/dbraw/zinc/57/95/29/377579529.db2.gz FEQJEMDZDITIRM-KGLIPLIRSA-N 2 1 256.434 2.057 20 0 CEADMP CCCOc1ncccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000565226827 377617621 /nfs/dbraw/zinc/61/76/21/377617621.db2.gz RASBMONSWTVGIX-KBPBESRZSA-N 2 1 263.385 2.230 20 0 CEADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431914755 377686048 /nfs/dbraw/zinc/68/60/48/377686048.db2.gz UYSYJDLKBCZZGR-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1[C@H](C)SCC[N@H+]1CCCc1cncn1C ZINC000566922590 377784249 /nfs/dbraw/zinc/78/42/49/377784249.db2.gz TXZPIPQNJCDEEL-NEPJUHHUSA-N 2 1 253.415 2.179 20 0 CEADMP CCn1cc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cn1 ZINC000432404736 377757050 /nfs/dbraw/zinc/75/70/50/377757050.db2.gz FQESVLJQIZXEJL-LSDHHAIUSA-N 2 1 294.443 2.055 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)cn1 ZINC000432404736 377757053 /nfs/dbraw/zinc/75/70/53/377757053.db2.gz FQESVLJQIZXEJL-LSDHHAIUSA-N 2 1 294.443 2.055 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cn1 ZINC000432404736 377757056 /nfs/dbraw/zinc/75/70/56/377757056.db2.gz FQESVLJQIZXEJL-LSDHHAIUSA-N 2 1 294.443 2.055 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cn1 ZINC000432404736 377757060 /nfs/dbraw/zinc/75/70/60/377757060.db2.gz FQESVLJQIZXEJL-LSDHHAIUSA-N 2 1 294.443 2.055 20 0 CEADMP C[C@H](CC1CC1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432431474 377762791 /nfs/dbraw/zinc/76/27/91/377762791.db2.gz WEPBOAYSVVHXJB-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](CC1CC1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432431474 377762797 /nfs/dbraw/zinc/76/27/97/377762797.db2.gz WEPBOAYSVVHXJB-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432432046 377763115 /nfs/dbraw/zinc/76/31/15/377763115.db2.gz XQJCGMBDEOBJAA-CVEARBPZSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432432046 377763120 /nfs/dbraw/zinc/76/31/20/377763120.db2.gz XQJCGMBDEOBJAA-CVEARBPZSA-N 2 1 298.471 2.282 20 0 CEADMP C[NH2+]CCC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000435872592 377811459 /nfs/dbraw/zinc/81/14/59/377811459.db2.gz ZMGZKHJMGTUBNR-CQSZACIVSA-N 2 1 250.361 2.300 20 0 CEADMP C[C@H](C[NH2+]CC[C@@H]1CCOC1)[N@@H+]1CCCC[C@H]1C ZINC000438087132 377881024 /nfs/dbraw/zinc/88/10/24/377881024.db2.gz JZFXEOFXVTUHQN-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](C[NH2+]CC[C@@H]1CCOC1)[N@H+]1CCCC[C@H]1C ZINC000438087132 377881032 /nfs/dbraw/zinc/88/10/32/377881032.db2.gz JZFXEOFXVTUHQN-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CO[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000441352701 377938522 /nfs/dbraw/zinc/93/85/22/377938522.db2.gz UQEHUJAJXSLLMF-ZYGGUILKSA-N 2 1 298.471 2.375 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000441352701 377938528 /nfs/dbraw/zinc/93/85/28/377938528.db2.gz UQEHUJAJXSLLMF-ZYGGUILKSA-N 2 1 298.471 2.375 20 0 CEADMP CO[C@@H]1CC[N@H+](CCC[NH+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000441352701 377938532 /nfs/dbraw/zinc/93/85/32/377938532.db2.gz UQEHUJAJXSLLMF-ZYGGUILKSA-N 2 1 298.471 2.375 20 0 CEADMP CCCC[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442876995 378011115 /nfs/dbraw/zinc/01/11/15/378011115.db2.gz QIPGNCUOIUWDGW-CQSZACIVSA-N 2 1 255.450 2.181 20 0 CEADMP CSc1ccc(OCC[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000442758031 377991043 /nfs/dbraw/zinc/99/10/43/377991043.db2.gz IEKOCYWTZQKRSD-CHWSQXEVSA-N 2 1 280.437 2.456 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000442762859 377992294 /nfs/dbraw/zinc/99/22/94/377992294.db2.gz HZHHXOMSHPHKCY-VXGBXAGGSA-N 2 1 295.814 2.338 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(C)c1 ZINC000442764488 377993977 /nfs/dbraw/zinc/99/39/77/377993977.db2.gz KUIGKFQODFAYON-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(C)c1 ZINC000442764488 377993984 /nfs/dbraw/zinc/99/39/84/377993984.db2.gz KUIGKFQODFAYON-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000442788705 377995980 /nfs/dbraw/zinc/99/59/80/377995980.db2.gz IVEGMRGGIFKEHD-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000442788705 377995982 /nfs/dbraw/zinc/99/59/82/377995982.db2.gz IVEGMRGGIFKEHD-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443056274 378030504 /nfs/dbraw/zinc/03/05/04/378030504.db2.gz CNLNRCIWFGLVTC-OWCLPIDISA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058113 378031343 /nfs/dbraw/zinc/03/13/43/378031343.db2.gz JIEBPDMGFGZDTK-GJZGRUSLSA-N 2 1 299.422 2.389 20 0 CEADMP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065697 378032978 /nfs/dbraw/zinc/03/29/78/378032978.db2.gz CMOJSLLNLPUJOL-PWUWZPNHSA-N 2 1 295.471 2.131 20 0 CEADMP Cn1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(-c2ccncc2)n1 ZINC000442931136 378019739 /nfs/dbraw/zinc/01/97/39/378019739.db2.gz VEEXFUNUTICEEN-CQSZACIVSA-N 2 1 299.422 2.043 20 0 CEADMP Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442932230 378020830 /nfs/dbraw/zinc/02/08/30/378020830.db2.gz XNCBNNNUQZJUPL-ZDUSSCGKSA-N 2 1 272.396 2.134 20 0 CEADMP CC(C)[C@H]1CC[NH+](CC(O)C[N@@H+]2CC[C@H](C(C)C)C2)C1 ZINC000447308858 378100589 /nfs/dbraw/zinc/10/05/89/378100589.db2.gz INBCBVAMLWMOMW-HOTGVXAUSA-N 2 1 282.472 2.303 20 0 CEADMP Cc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1F ZINC000295318328 378102181 /nfs/dbraw/zinc/10/21/81/378102181.db2.gz YWZUCVBRSXAVJY-INIZCTEOSA-N 2 1 294.414 2.461 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CCC[C@@H]2CCOC2)s1 ZINC000449688981 378220493 /nfs/dbraw/zinc/22/04/93/378220493.db2.gz IOPMEQFELGONAX-GFCCVEGCSA-N 2 1 283.441 2.111 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(=O)NC ZINC000449771439 378228146 /nfs/dbraw/zinc/22/81/46/378228146.db2.gz GXWMNSQYJVLFGC-KBMXLJTQSA-N 2 1 295.471 2.144 20 0 CEADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2cscn2)C1 ZINC000450455481 378427959 /nfs/dbraw/zinc/42/79/59/378427959.db2.gz VHYWXTBBYXPQMA-CQSZACIVSA-N 2 1 279.453 2.349 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2cscn2)C1 ZINC000450455481 378427965 /nfs/dbraw/zinc/42/79/65/378427965.db2.gz VHYWXTBBYXPQMA-CQSZACIVSA-N 2 1 279.453 2.349 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2cscn2)C1 ZINC000450455481 378427973 /nfs/dbraw/zinc/42/79/73/378427973.db2.gz VHYWXTBBYXPQMA-CQSZACIVSA-N 2 1 279.453 2.349 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2cscn2)C1 ZINC000450455481 378427980 /nfs/dbraw/zinc/42/79/80/378427980.db2.gz VHYWXTBBYXPQMA-CQSZACIVSA-N 2 1 279.453 2.349 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000450646280 378516683 /nfs/dbraw/zinc/51/66/83/378516683.db2.gz HNTZFGFUHMOPGQ-OWCLPIDISA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000450646280 378516690 /nfs/dbraw/zinc/51/66/90/378516690.db2.gz HNTZFGFUHMOPGQ-OWCLPIDISA-N 2 1 267.461 2.274 20 0 CEADMP CC[N@@H+](CCC1CCN(Cc2cn[nH]n2)CC1)CC(C)C ZINC000450653987 378519928 /nfs/dbraw/zinc/51/99/28/378519928.db2.gz UDNQBFJUZVLENK-UHFFFAOYSA-N 2 1 293.459 2.385 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC[C@@H](C)O)C1)CCCC2 ZINC000450784042 378578785 /nfs/dbraw/zinc/57/87/85/378578785.db2.gz GSAXBWVMMPYXDX-OCCSQVGLSA-N 2 1 277.412 2.088 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC[C@@H](C)O)C1)CCCC2 ZINC000450784042 378578787 /nfs/dbraw/zinc/57/87/87/378578787.db2.gz GSAXBWVMMPYXDX-OCCSQVGLSA-N 2 1 277.412 2.088 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453076725 378795428 /nfs/dbraw/zinc/79/54/28/378795428.db2.gz JQLSEZZYQQIKJZ-HNNXBMFYSA-N 2 1 254.418 2.123 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@H](C(C)C)[NH+]2CCCC2)CCOCC1 ZINC000453084194 378796470 /nfs/dbraw/zinc/79/64/70/378796470.db2.gz NVJIRLUCOUSBCI-JKSUJKDBSA-N 2 1 298.471 2.281 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)C[C@H]12 ZINC000346842418 218031939 /nfs/dbraw/zinc/03/19/39/218031939.db2.gz HQRMDNKTGAHHJY-BYCMXARLSA-N 2 1 288.420 2.103 20 0 CEADMP COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000346842100 218033110 /nfs/dbraw/zinc/03/31/10/218033110.db2.gz WNWNCAYXJZMUSF-AWEZNQCLSA-N 2 1 262.397 2.439 20 0 CEADMP COc1ccccc1C[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000346842100 218033111 /nfs/dbraw/zinc/03/31/11/218033111.db2.gz WNWNCAYXJZMUSF-AWEZNQCLSA-N 2 1 262.397 2.439 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CCOCC1 ZINC000453103357 378804835 /nfs/dbraw/zinc/80/48/35/378804835.db2.gz CBWXXTAQEVHXCP-JKSUJKDBSA-N 2 1 298.471 2.281 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000346824676 218025211 /nfs/dbraw/zinc/02/52/11/218025211.db2.gz CMWJDDFJEJDEBV-IACUBPJLSA-N 2 1 292.379 2.016 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000346824676 218025213 /nfs/dbraw/zinc/02/52/13/218025213.db2.gz CMWJDDFJEJDEBV-IACUBPJLSA-N 2 1 292.379 2.016 20 0 CEADMP COC(=O)c1occc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000298846611 378842730 /nfs/dbraw/zinc/84/27/30/378842730.db2.gz KGGVOCDKZGWWNG-UHFFFAOYSA-N 2 1 294.395 2.230 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](C)C1 ZINC000346855076 218038642 /nfs/dbraw/zinc/03/86/42/218038642.db2.gz BRWKSHOSMSJVQC-BBWFWOEESA-N 2 1 298.471 2.140 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C12CCC2 ZINC000346960705 218070337 /nfs/dbraw/zinc/07/03/37/218070337.db2.gz FPHGZBOTYRRKHT-HUUCEWRRSA-N 2 1 266.429 2.266 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453398174 378887088 /nfs/dbraw/zinc/88/70/88/378887088.db2.gz KGZVFMXKUJFWCC-OAHLLOKOSA-N 2 1 276.428 2.262 20 0 CEADMP CC[N@@H+]1CC[C@H](N(C)c2[nH+]cnc3[nH]ccc32)[C@H](C)C1 ZINC000266278973 190245638 /nfs/dbraw/zinc/24/56/38/190245638.db2.gz STBWHAQKMGSWMT-YPMHNXCESA-N 2 1 273.384 2.124 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)c2[nH+]cnc3[nH]ccc32)[C@H](C)C1 ZINC000266278973 190245639 /nfs/dbraw/zinc/24/56/39/190245639.db2.gz STBWHAQKMGSWMT-YPMHNXCESA-N 2 1 273.384 2.124 20 0 CEADMP COc1ccccc1[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346976840 218075657 /nfs/dbraw/zinc/07/56/57/218075657.db2.gz KGJGAOXTCHVZMI-GJZGRUSLSA-N 2 1 274.408 2.484 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346992054 218083988 /nfs/dbraw/zinc/08/39/88/218083988.db2.gz AHABUGHFFIFYRD-TZMCWYRMSA-N 2 1 275.396 2.204 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cc(O)cc(F)c1)C1CC1 ZINC000453597985 378916530 /nfs/dbraw/zinc/91/65/30/378916530.db2.gz OWILACWLQIPKTI-UHFFFAOYSA-N 2 1 266.360 2.495 20 0 CEADMP CN(C)c1ncc(C[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000453599362 378918725 /nfs/dbraw/zinc/91/87/25/378918725.db2.gz QSZNWRRFJVZWBI-UHFFFAOYSA-N 2 1 282.457 2.173 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)s1 ZINC000347034798 218099866 /nfs/dbraw/zinc/09/98/66/218099866.db2.gz CQAIKQXEPPRDDC-LBPRGKRZSA-N 2 1 282.457 2.160 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@@H](C[NH3+])C2)s1 ZINC000347034798 218099867 /nfs/dbraw/zinc/09/98/67/218099867.db2.gz CQAIKQXEPPRDDC-LBPRGKRZSA-N 2 1 282.457 2.160 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cccnc2)C1 ZINC000347036472 218101233 /nfs/dbraw/zinc/10/12/33/218101233.db2.gz GYBGOGCIDNTRLL-HIFRSBDPSA-N 2 1 299.422 2.041 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000289472080 197363768 /nfs/dbraw/zinc/36/37/68/197363768.db2.gz HKEZTSPRXTTXLL-IRXDYDNUSA-N 2 1 274.408 2.182 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000289472080 197363770 /nfs/dbraw/zinc/36/37/70/197363770.db2.gz HKEZTSPRXTTXLL-IRXDYDNUSA-N 2 1 274.408 2.182 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1C ZINC000347104106 218122276 /nfs/dbraw/zinc/12/22/76/218122276.db2.gz LABWYHKRSMGXDM-ABAIWWIYSA-N 2 1 264.417 2.079 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1C ZINC000347104106 218122278 /nfs/dbraw/zinc/12/22/78/218122278.db2.gz LABWYHKRSMGXDM-ABAIWWIYSA-N 2 1 264.417 2.079 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347063626 218110789 /nfs/dbraw/zinc/11/07/89/218110789.db2.gz CGDFISUPPDARLJ-YIONKMFJSA-N 2 1 284.407 2.358 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347063626 218110792 /nfs/dbraw/zinc/11/07/92/218110792.db2.gz CGDFISUPPDARLJ-YIONKMFJSA-N 2 1 284.407 2.358 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000347074775 218113509 /nfs/dbraw/zinc/11/35/09/218113509.db2.gz UAQQLWQAVABZLO-INIZCTEOSA-N 2 1 292.423 2.143 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000347074775 218113510 /nfs/dbraw/zinc/11/35/10/218113510.db2.gz UAQQLWQAVABZLO-INIZCTEOSA-N 2 1 292.423 2.143 20 0 CEADMP CCC1(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)CCOCC1 ZINC000347136178 218134023 /nfs/dbraw/zinc/13/40/23/218134023.db2.gz UBPQHQGIBCOSLY-KGLIPLIRSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000347147872 218136918 /nfs/dbraw/zinc/13/69/18/218136918.db2.gz YXGILGMNTRDULF-RISCZKNCSA-N 2 1 284.350 2.500 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000347468531 218245936 /nfs/dbraw/zinc/24/59/36/218245936.db2.gz BXKKUCAQEQRMEC-LSDHHAIUSA-N 2 1 283.460 2.132 20 0 CEADMP CCC[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000300410532 379167620 /nfs/dbraw/zinc/16/76/20/379167620.db2.gz IHTVKXFRMZBOKD-LXTVHRRPSA-N 2 1 256.434 2.103 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+](CC)Cc1ccc(Cl)cc1 ZINC000514947458 379170183 /nfs/dbraw/zinc/17/01/83/379170183.db2.gz ZGYVSHPUYVZBLD-OAHLLOKOSA-N 2 1 284.831 2.475 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+](CC)Cc1ccc(Cl)cc1 ZINC000514947458 379170190 /nfs/dbraw/zinc/17/01/90/379170190.db2.gz ZGYVSHPUYVZBLD-OAHLLOKOSA-N 2 1 284.831 2.475 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000347511890 218260443 /nfs/dbraw/zinc/26/04/43/218260443.db2.gz CNASMTOELWPESW-RRFJBIMHSA-N 2 1 297.487 2.390 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000515347158 379207114 /nfs/dbraw/zinc/20/71/14/379207114.db2.gz UPLCLAZOQRIUIS-PBHICJAKSA-N 2 1 287.407 2.021 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccnc(OC)c2)C1 ZINC000515500445 379228129 /nfs/dbraw/zinc/22/81/29/379228129.db2.gz VWLKHMTUDODIEJ-UONOGXRCSA-N 2 1 277.412 2.473 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccnc(OC)c2)C1 ZINC000515500445 379228135 /nfs/dbraw/zinc/22/81/35/379228135.db2.gz VWLKHMTUDODIEJ-UONOGXRCSA-N 2 1 277.412 2.473 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000517029441 379337024 /nfs/dbraw/zinc/33/70/24/379337024.db2.gz OFEZDIMTXZAXDE-GOEBONIOSA-N 2 1 274.408 2.154 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000517029441 379337034 /nfs/dbraw/zinc/33/70/34/379337034.db2.gz OFEZDIMTXZAXDE-GOEBONIOSA-N 2 1 274.408 2.154 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000302273165 379349765 /nfs/dbraw/zinc/34/97/65/379349765.db2.gz RTRDECFWTDDSIU-ZFWWWQNUSA-N 2 1 254.418 2.252 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000519538184 379431168 /nfs/dbraw/zinc/43/11/68/379431168.db2.gz NFVDVNNBJUNAGU-NSHDSACASA-N 2 1 254.349 2.485 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCC(C)(C)CC2)CC1 ZINC000303858747 379498880 /nfs/dbraw/zinc/49/88/80/379498880.db2.gz GDBUFRFIPHQKAA-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCC(C)(C)CC2)CC1 ZINC000303858747 379498889 /nfs/dbraw/zinc/49/88/89/379498889.db2.gz GDBUFRFIPHQKAA-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCCO)C2)CC1 ZINC000303378574 379494615 /nfs/dbraw/zinc/49/46/15/379494615.db2.gz QAAUUQNWSIDLTG-INIZCTEOSA-N 2 1 268.445 2.203 20 0 CEADMP CC1(C)CCC[C@@H](C[N@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000521834693 379543582 /nfs/dbraw/zinc/54/35/82/379543582.db2.gz LGJIZWZQMHQHEY-KGLIPLIRSA-N 2 1 254.418 2.252 20 0 CEADMP COc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)ccn1 ZINC000347659424 218311199 /nfs/dbraw/zinc/31/11/99/218311199.db2.gz AJKCLSSNPSJNKG-JSGCOSHPSA-N 2 1 263.385 2.225 20 0 CEADMP COc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)ccn1 ZINC000347659424 218311202 /nfs/dbraw/zinc/31/12/02/218311202.db2.gz AJKCLSSNPSJNKG-JSGCOSHPSA-N 2 1 263.385 2.225 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)NCc1[nH]cnc1C)c1ccccc1 ZINC000266949516 190292897 /nfs/dbraw/zinc/29/28/97/190292897.db2.gz DVAVKLAWOIKWIL-OAHLLOKOSA-N 2 1 286.379 2.027 20 0 CEADMP CCN(C)[C@@H](C(=O)NCc1[nH]cnc1C)c1ccccc1 ZINC000266949516 190292898 /nfs/dbraw/zinc/29/28/98/190292898.db2.gz DVAVKLAWOIKWIL-OAHLLOKOSA-N 2 1 286.379 2.027 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457087908 379659883 /nfs/dbraw/zinc/65/98/83/379659883.db2.gz JVIIKUNYSAIUOW-ZIAGYGMSSA-N 2 1 283.460 2.094 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc2c(c1)CCC2 ZINC000305151594 379663033 /nfs/dbraw/zinc/66/30/33/379663033.db2.gz UIKXMIUYHUAKQR-KSSFIOAISA-N 2 1 288.435 2.283 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC000347728002 218336696 /nfs/dbraw/zinc/33/66/96/218336696.db2.gz CSHNBSHCEGKINB-HZPDHXFCSA-N 2 1 297.487 2.297 20 0 CEADMP OCC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000305365433 379711786 /nfs/dbraw/zinc/71/17/86/379711786.db2.gz VKXKLENXWLBAQM-KURKYZTESA-N 2 1 288.435 2.369 20 0 CEADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527703577 379793467 /nfs/dbraw/zinc/79/34/67/379793467.db2.gz KOWAPIGYDVWMPL-KBMXLJTQSA-N 2 1 279.472 2.037 20 0 CEADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527653051 379785696 /nfs/dbraw/zinc/78/56/96/379785696.db2.gz IOEDGZFPIGEHON-XIRDDKMYSA-N 2 1 279.472 2.038 20 0 CEADMP Cc1cccc([C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C(C)C)c1 ZINC000527889945 379840366 /nfs/dbraw/zinc/84/03/66/379840366.db2.gz JZDVXOYVCUNOTM-IRXDYDNUSA-N 2 1 276.424 2.348 20 0 CEADMP Cc1cccc([C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C(C)C)c1 ZINC000527889945 379840368 /nfs/dbraw/zinc/84/03/68/379840368.db2.gz JZDVXOYVCUNOTM-IRXDYDNUSA-N 2 1 276.424 2.348 20 0 CEADMP CC(C)[NH2+]C1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347843317 218374523 /nfs/dbraw/zinc/37/45/23/218374523.db2.gz GRLWXBZQBNZYLY-UHFFFAOYSA-N 2 1 296.484 2.167 20 0 CEADMP CC(C)c1nc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)no1 ZINC000333865878 380166458 /nfs/dbraw/zinc/16/64/58/380166458.db2.gz QZAPHXPJFIHAHP-QWHCGFSZSA-N 2 1 278.400 2.330 20 0 CEADMP CC(C)c1nc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)no1 ZINC000333865878 380166461 /nfs/dbraw/zinc/16/64/61/380166461.db2.gz QZAPHXPJFIHAHP-QWHCGFSZSA-N 2 1 278.400 2.330 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CCO1 ZINC000488977220 380150638 /nfs/dbraw/zinc/15/06/38/380150638.db2.gz INZDKFFOVMZOJQ-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491588897 380335904 /nfs/dbraw/zinc/33/59/04/380335904.db2.gz MMOYKFMLOUAZJR-GFCCVEGCSA-N 2 1 252.406 2.060 20 0 CEADMP CCCn1nc(C)c(C[NH2+]C[C@@H](C)C[NH+](C)C)c1C ZINC000491588049 380335968 /nfs/dbraw/zinc/33/59/68/380335968.db2.gz DSZGACZPOHJEOQ-GFCCVEGCSA-N 2 1 266.433 2.197 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccnn1-c1ccccc1 ZINC000545276050 380375751 /nfs/dbraw/zinc/37/57/51/380375751.db2.gz YULDRJNGKZFGTO-CQSZACIVSA-N 2 1 295.390 2.499 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000545867638 380391162 /nfs/dbraw/zinc/39/11/62/380391162.db2.gz ZHNWDYZADSRRIJ-HZPDHXFCSA-N 2 1 294.826 2.374 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548392366 380508952 /nfs/dbraw/zinc/50/89/52/380508952.db2.gz OCXUBSUKQYYUSW-LSDHHAIUSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548392366 380508962 /nfs/dbraw/zinc/50/89/62/380508962.db2.gz OCXUBSUKQYYUSW-LSDHHAIUSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548392366 380508969 /nfs/dbraw/zinc/50/89/69/380508969.db2.gz OCXUBSUKQYYUSW-LSDHHAIUSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H]1COCC[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000334492002 380481581 /nfs/dbraw/zinc/48/15/81/380481581.db2.gz VIDUSFGCPNLRKX-NSHDSACASA-N 2 1 263.366 2.155 20 0 CEADMP C[C@H]1COCC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000334492002 380481589 /nfs/dbraw/zinc/48/15/89/380481589.db2.gz VIDUSFGCPNLRKX-NSHDSACASA-N 2 1 263.366 2.155 20 0 CEADMP C[C@@H]1CC[N@@H+](CCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548719824 380552630 /nfs/dbraw/zinc/55/26/30/380552630.db2.gz JWLIRALFUAUENI-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CC[NH+](CCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548719824 380552636 /nfs/dbraw/zinc/55/26/36/380552636.db2.gz JWLIRALFUAUENI-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CC[NH+](CCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548719824 380552640 /nfs/dbraw/zinc/55/26/40/380552640.db2.gz JWLIRALFUAUENI-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3cncs3)CC[C@@H]21 ZINC000334562757 380600290 /nfs/dbraw/zinc/60/02/90/380600290.db2.gz ZOCLHCREXUKSPM-JSGCOSHPSA-N 2 1 265.426 2.102 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3cncs3)CC[C@@H]21 ZINC000334562757 380600299 /nfs/dbraw/zinc/60/02/99/380600299.db2.gz ZOCLHCREXUKSPM-JSGCOSHPSA-N 2 1 265.426 2.102 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3cncs3)CC[C@@H]21 ZINC000334562757 380600305 /nfs/dbraw/zinc/60/03/05/380600305.db2.gz ZOCLHCREXUKSPM-JSGCOSHPSA-N 2 1 265.426 2.102 20 0 CEADMP CC1=CC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000551992765 380672840 /nfs/dbraw/zinc/67/28/40/380672840.db2.gz MIFLDIQSOXDZJL-KRWDZBQOSA-N 2 1 279.472 2.348 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1-n1ccnn1 ZINC000552043993 380679349 /nfs/dbraw/zinc/67/93/49/380679349.db2.gz JUUFKDJGWSRIKV-HUUCEWRRSA-N 2 1 299.422 2.260 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000552097481 380684043 /nfs/dbraw/zinc/68/40/43/380684043.db2.gz CYIOZVNZHVKUBC-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000552097481 380684048 /nfs/dbraw/zinc/68/40/48/380684048.db2.gz CYIOZVNZHVKUBC-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000552996733 380720518 /nfs/dbraw/zinc/72/05/18/380720518.db2.gz FFAOGOKVCSUVHP-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CC[NH+](CC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000552996733 380720520 /nfs/dbraw/zinc/72/05/20/380720520.db2.gz FFAOGOKVCSUVHP-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000279168927 194315122 /nfs/dbraw/zinc/31/51/22/194315122.db2.gz CAODHTHBYVKPFZ-CQSZACIVSA-N 2 1 286.778 2.196 20 0 CEADMP C[C@H](CNC(=O)/C=C/c1ncc[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000493144621 380817197 /nfs/dbraw/zinc/81/71/97/380817197.db2.gz FBBRHXUOWDWAAY-MYSGNRETSA-N 2 1 298.390 2.060 20 0 CEADMP CCC[NH+]1CCC(NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000556045159 380864559 /nfs/dbraw/zinc/86/45/59/380864559.db2.gz ACUFDRLGVSGIOG-QGZVFWFLSA-N 2 1 279.472 2.467 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@H]2CCCCN2C2CC2)CC1 ZINC000556045159 380864561 /nfs/dbraw/zinc/86/45/61/380864561.db2.gz ACUFDRLGVSGIOG-QGZVFWFLSA-N 2 1 279.472 2.467 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000037221680 542279612 /nfs/dbraw/zinc/27/96/12/542279612.db2.gz BLLFNQRNJLRMJY-RDJZCZTQSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@H]([NH2+]CCCN1CCCCC1)C1CC[NH+](C)CC1 ZINC000037220907 542279362 /nfs/dbraw/zinc/27/93/62/542279362.db2.gz HATOAZOZMBETLV-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP CCc1ncc(C[NH2+]CC(C)(C)C[NH+](C)C)s1 ZINC000037923696 542284545 /nfs/dbraw/zinc/28/45/45/542284545.db2.gz HIJFRYYSEFXZAU-UHFFFAOYSA-N 2 1 255.431 2.383 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000334845659 207176854 /nfs/dbraw/zinc/17/68/54/207176854.db2.gz ZXTKOGRCEIDBPP-CYBMUJFWSA-N 2 1 254.324 2.443 20 0 CEADMP C[C@@H]1C[C@H](CN2CC[N@@H+](C)CC23CCCCC3)CC[NH2+]1 ZINC000334858241 207198021 /nfs/dbraw/zinc/19/80/21/207198021.db2.gz CDWYNWXETGDDKN-HZPDHXFCSA-N 2 1 279.472 2.325 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000280860022 195003854 /nfs/dbraw/zinc/00/38/54/195003854.db2.gz NDWJJCBMXLFULX-UHFFFAOYSA-N 2 1 286.419 2.406 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000335292883 208120052 /nfs/dbraw/zinc/12/00/52/208120052.db2.gz ALEPRCSEWJRKTL-INIZCTEOSA-N 2 1 290.455 2.201 20 0 CEADMP Fc1ccc(/C=C/C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000335319681 208183095 /nfs/dbraw/zinc/18/30/95/208183095.db2.gz HJWYJUPDAPJXJJ-QJVFMVDXSA-N 2 1 260.356 2.380 20 0 CEADMP Fc1ccc(/C=C/C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000335319681 208183100 /nfs/dbraw/zinc/18/31/00/208183100.db2.gz HJWYJUPDAPJXJJ-QJVFMVDXSA-N 2 1 260.356 2.380 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000335336857 208220500 /nfs/dbraw/zinc/22/05/00/208220500.db2.gz VAQYOPKRLPPMGQ-BXUZGUMPSA-N 2 1 258.369 2.122 20 0 CEADMP Cc1ncccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000335353669 208259801 /nfs/dbraw/zinc/25/98/01/208259801.db2.gz PSXFXBVRMFMNCI-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ncccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000335353669 208259803 /nfs/dbraw/zinc/25/98/03/208259803.db2.gz PSXFXBVRMFMNCI-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ncccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335353669 208259809 /nfs/dbraw/zinc/25/98/09/208259809.db2.gz PSXFXBVRMFMNCI-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ncccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335353669 208259814 /nfs/dbraw/zinc/25/98/14/208259814.db2.gz PSXFXBVRMFMNCI-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](OCC2CC2)C1 ZINC000368792953 220288491 /nfs/dbraw/zinc/28/84/91/220288491.db2.gz REVHSTVUINRFHY-HZPDHXFCSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368792953 220288495 /nfs/dbraw/zinc/28/84/95/220288495.db2.gz REVHSTVUINRFHY-HZPDHXFCSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368792953 220288496 /nfs/dbraw/zinc/28/84/96/220288496.db2.gz REVHSTVUINRFHY-HZPDHXFCSA-N 2 1 266.429 2.362 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(C2CC2)cs1 ZINC000575794088 299569741 /nfs/dbraw/zinc/56/97/41/299569741.db2.gz HYKFQORFYZVQLD-QWRGUYRKSA-N 2 1 251.399 2.238 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC000350253706 219002998 /nfs/dbraw/zinc/00/29/98/219002998.db2.gz OLCRVTJOVUYBJR-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC000350259538 219003231 /nfs/dbraw/zinc/00/32/31/219003231.db2.gz VYLNKNYXVBWVPM-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP CCN1CCC([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000093515912 285191552 /nfs/dbraw/zinc/19/15/52/285191552.db2.gz PEMMOYDRFMIZDB-GDBMZVCRSA-N 2 1 267.461 2.371 20 0 CEADMP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)c(C)c1OC ZINC000342092443 130306004 /nfs/dbraw/zinc/30/60/04/130306004.db2.gz XRCILTSSNFXCSQ-UHFFFAOYSA-N 2 1 278.396 2.196 20 0 CEADMP CC1CC[NH+](CCCNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000263731765 131318052 /nfs/dbraw/zinc/31/80/52/131318052.db2.gz CQPRUXGJVGWEEW-UHFFFAOYSA-N 2 1 273.384 2.492 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000300240756 394454294 /nfs/dbraw/zinc/45/42/94/394454294.db2.gz VRZZYJSHWAJRLL-QLFBSQMISA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000300240756 394454299 /nfs/dbraw/zinc/45/42/99/394454299.db2.gz VRZZYJSHWAJRLL-QLFBSQMISA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3C[C@@H]3C)CC2)CC1 ZINC000421378510 394517222 /nfs/dbraw/zinc/51/72/22/394517222.db2.gz SXERBPDWAPDSOB-HOTGVXAUSA-N 2 1 279.472 2.134 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC000246880311 394522788 /nfs/dbraw/zinc/52/27/88/394522788.db2.gz IJUSFBQWKJJMCD-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000246880311 394522792 /nfs/dbraw/zinc/52/27/92/394522792.db2.gz IJUSFBQWKJJMCD-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000246880311 394522796 /nfs/dbraw/zinc/52/27/96/394522796.db2.gz IJUSFBQWKJJMCD-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1C ZINC000307975272 394525138 /nfs/dbraw/zinc/52/51/38/394525138.db2.gz RTDDURIGVAJZQT-CQSZACIVSA-N 2 1 264.417 2.081 20 0 CEADMP CC1(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)COC1 ZINC000309774476 394532239 /nfs/dbraw/zinc/53/22/39/394532239.db2.gz BVANYNNLMGJPJD-INIZCTEOSA-N 2 1 274.408 2.135 20 0 CEADMP Cc1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)nc(C)[nH+]1 ZINC000266245919 394662428 /nfs/dbraw/zinc/66/24/28/394662428.db2.gz MHRZSTLQTQQJPH-CQSZACIVSA-N 2 1 262.401 2.404 20 0 CEADMP Cc1cc(N(C)CC[C@H]2CCCC[N@H+]2C)nc(C)[nH+]1 ZINC000266245919 394662433 /nfs/dbraw/zinc/66/24/33/394662433.db2.gz MHRZSTLQTQQJPH-CQSZACIVSA-N 2 1 262.401 2.404 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000077320332 394622096 /nfs/dbraw/zinc/62/20/96/394622096.db2.gz IJWJJSUGFBJHBD-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CCOc1c(Cl)cc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1OC ZINC000422720983 394739988 /nfs/dbraw/zinc/73/99/88/394739988.db2.gz NBLSFCBZPLCTBP-SNVBAGLBSA-N 2 1 298.814 2.445 20 0 CEADMP COc1ccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000422726032 394742574 /nfs/dbraw/zinc/74/25/74/394742574.db2.gz YYZZYPKLBMXFIU-UKRRQHHQSA-N 2 1 292.423 2.224 20 0 CEADMP C[NH+](C)C1CCC(NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000422133078 394680826 /nfs/dbraw/zinc/68/08/26/394680826.db2.gz PJTHQMJGRKYNGN-UYSNPLJNSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)[C@H]1C[C@H]1C ZINC000414083978 394698176 /nfs/dbraw/zinc/69/81/76/394698176.db2.gz XIXITHURPRWGLH-SNPRPXQTSA-N 2 1 254.418 2.121 20 0 CEADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H]1CC1(C)C ZINC000414127413 394710331 /nfs/dbraw/zinc/71/03/31/394710331.db2.gz SGDRQDADJOIMAZ-HZPDHXFCSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCOc3c(F)cccc3C2)CC[NH2+]1 ZINC000334817809 394713085 /nfs/dbraw/zinc/71/30/85/394713085.db2.gz KAWJUVXJMFYQKU-CHWSQXEVSA-N 2 1 278.371 2.408 20 0 CEADMP COc1ccc2c(c1)C[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000334871920 394717027 /nfs/dbraw/zinc/71/70/27/394717027.db2.gz CKYLTXBORYUWDA-KBPBESRZSA-N 2 1 274.408 2.441 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1C[C@H]1C ZINC000414156915 394719019 /nfs/dbraw/zinc/71/90/19/394719019.db2.gz VPKWBPPMCUTWBN-KBUPBQIOSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1C[C@H]1C ZINC000414156915 394719025 /nfs/dbraw/zinc/71/90/25/394719025.db2.gz VPKWBPPMCUTWBN-KBUPBQIOSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000358411513 394721862 /nfs/dbraw/zinc/72/18/62/394721862.db2.gz ZGKNIAUBFCQRLY-FMKPAKJESA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000358411513 394721866 /nfs/dbraw/zinc/72/18/66/394721866.db2.gz ZGKNIAUBFCQRLY-FMKPAKJESA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2nccn21 ZINC000414174252 394722085 /nfs/dbraw/zinc/72/20/85/394722085.db2.gz GNAVKWLUYZTQSB-MCIONIFRSA-N 2 1 262.401 2.210 20 0 CEADMP Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414182634 394724316 /nfs/dbraw/zinc/72/43/16/394724316.db2.gz NAYLEDZTZOUWDD-ZFWWWQNUSA-N 2 1 276.428 2.193 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000422698697 394725898 /nfs/dbraw/zinc/72/58/98/394725898.db2.gz ANWQPDFLITXXSW-CQSZACIVSA-N 3 1 255.450 2.358 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000422698697 394725903 /nfs/dbraw/zinc/72/59/03/394725903.db2.gz ANWQPDFLITXXSW-CQSZACIVSA-N 3 1 255.450 2.358 20 0 CEADMP CC(C)Cn1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000414822494 394752364 /nfs/dbraw/zinc/75/23/64/394752364.db2.gz AICNMBNWDURELS-DZGCQCFKSA-N 2 1 264.417 2.017 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000422743375 394754153 /nfs/dbraw/zinc/75/41/53/394754153.db2.gz IJOKNPBKYBIDHS-ZDUSSCGKSA-N 2 1 281.419 2.494 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+](CCCO)Cc1ccccc1 ZINC000271311589 394754620 /nfs/dbraw/zinc/75/46/20/394754620.db2.gz RFCDWBRGIBFITK-QGZVFWFLSA-N 2 1 276.424 2.355 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCCO)Cc1ccccc1 ZINC000271311589 394754623 /nfs/dbraw/zinc/75/46/23/394754623.db2.gz RFCDWBRGIBFITK-QGZVFWFLSA-N 2 1 276.424 2.355 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCCO)Cc1ccccc1 ZINC000271311589 394754627 /nfs/dbraw/zinc/75/46/27/394754627.db2.gz RFCDWBRGIBFITK-QGZVFWFLSA-N 2 1 276.424 2.355 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCCO)Cc1ccccc1 ZINC000271311589 394754630 /nfs/dbraw/zinc/75/46/30/394754630.db2.gz RFCDWBRGIBFITK-QGZVFWFLSA-N 2 1 276.424 2.355 20 0 CEADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2c(c1)OCCCO2 ZINC000414828196 394756565 /nfs/dbraw/zinc/75/65/65/394756565.db2.gz LOAGXYKBBDTMNW-YIONKMFJSA-N 2 1 288.391 2.221 20 0 CEADMP c1cc2c(c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c1)NCC2 ZINC000414828366 394756940 /nfs/dbraw/zinc/75/69/40/394756940.db2.gz MEGYKONVKBNKIK-YIONKMFJSA-N 2 1 257.381 2.027 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC000414831618 394759181 /nfs/dbraw/zinc/75/91/81/394759181.db2.gz DGBXXZGFFVAIHU-JTQLQIEISA-N 2 1 286.803 2.302 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000414837694 394762207 /nfs/dbraw/zinc/76/22/07/394762207.db2.gz UXPOFDNFDUVPJY-KBMXLJTQSA-N 2 1 261.413 2.006 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc(C)n1-c1ccccc1 ZINC000414837066 394762342 /nfs/dbraw/zinc/76/23/42/394762342.db2.gz KASAWYGHURJPLV-CYBMUJFWSA-N 2 1 272.396 2.126 20 0 CEADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414842603 394765957 /nfs/dbraw/zinc/76/59/57/394765957.db2.gz IVCBVRREXCTNMT-HIFRSBDPSA-N 2 1 289.423 2.308 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccccc1Br ZINC000414845848 394767329 /nfs/dbraw/zinc/76/73/29/394767329.db2.gz TVMVAFRLQUUJBX-JTQLQIEISA-N 2 1 271.202 2.394 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000414852444 394771675 /nfs/dbraw/zinc/77/16/75/394771675.db2.gz RCWFARQYMMSQSF-HIFRSBDPSA-N 2 1 266.433 2.358 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+]CC[C@@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC000414856672 394773261 /nfs/dbraw/zinc/77/32/61/394773261.db2.gz YXQNKRZIENUWSY-UAGQMJEPSA-N 3 1 273.424 2.069 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000422773272 394774282 /nfs/dbraw/zinc/77/42/82/394774282.db2.gz ZQFRHSHNUXSCPC-ILXRZTDVSA-N 3 1 255.450 2.214 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000422773272 394774285 /nfs/dbraw/zinc/77/42/85/394774285.db2.gz ZQFRHSHNUXSCPC-ILXRZTDVSA-N 3 1 255.450 2.214 20 0 CEADMP C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1c[nH+]ccc1N ZINC000422773939 394774539 /nfs/dbraw/zinc/77/45/39/394774539.db2.gz VJZYFXCECXETIH-UONOGXRCSA-N 2 1 276.428 2.409 20 0 CEADMP CC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000120193888 394776235 /nfs/dbraw/zinc/77/62/35/394776235.db2.gz HFSFCBUBZOFNHS-MRXNPFEDSA-N 2 1 266.429 2.409 20 0 CEADMP CC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000120193888 394776239 /nfs/dbraw/zinc/77/62/39/394776239.db2.gz HFSFCBUBZOFNHS-MRXNPFEDSA-N 2 1 266.429 2.409 20 0 CEADMP C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000414860854 394776163 /nfs/dbraw/zinc/77/61/63/394776163.db2.gz WAQSVPQTBQLCQC-OCCSQVGLSA-N 2 1 264.417 2.116 20 0 CEADMP C[C@@H](NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422784587 394782780 /nfs/dbraw/zinc/78/27/80/394782780.db2.gz PXAWVSTZJNQFCB-CRAIPNDOSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)C1C[NH2+]C1 ZINC000422784587 394782781 /nfs/dbraw/zinc/78/27/81/394782781.db2.gz PXAWVSTZJNQFCB-CRAIPNDOSA-N 2 1 287.451 2.239 20 0 CEADMP CCC[NH2+]CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414876289 394783108 /nfs/dbraw/zinc/78/31/08/394783108.db2.gz VQIWZZZDBNYREF-CQSZACIVSA-N 2 1 252.789 2.396 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1cccc(OCC(F)(F)F)c1)C1CC1 ZINC000414885238 394788101 /nfs/dbraw/zinc/78/81/01/394788101.db2.gz BSBNDFJFTVEXQH-ZDUSSCGKSA-N 2 1 288.313 2.455 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000121762189 394804264 /nfs/dbraw/zinc/80/42/64/394804264.db2.gz BSMOBIBYVIYPFZ-QXSJWSMHSA-N 2 1 278.440 2.266 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000422813174 394805094 /nfs/dbraw/zinc/80/50/94/394805094.db2.gz XQOZWINQZFHXMZ-SJLPKXTDSA-N 2 1 287.451 2.152 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000422813174 394805103 /nfs/dbraw/zinc/80/51/03/394805103.db2.gz XQOZWINQZFHXMZ-SJLPKXTDSA-N 2 1 287.451 2.152 20 0 CEADMP CC1([NH2+]Cc2cc(-c3ccccc3)n[nH]2)CC[NH2+]CC1 ZINC000414934634 394810898 /nfs/dbraw/zinc/81/08/98/394810898.db2.gz FJAGQPDZRZVVFG-UHFFFAOYSA-N 2 1 270.380 2.308 20 0 CEADMP CC[C@H]([NH2+]CCOc1ccc(F)cc1F)[C@@H]1CCC[NH2+]1 ZINC000422821815 394811473 /nfs/dbraw/zinc/81/14/73/394811473.db2.gz YQNJBXCDVABPOY-KBPBESRZSA-N 2 1 284.350 2.464 20 0 CEADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)C[NH3+])c(Cl)c1 ZINC000414946178 394817090 /nfs/dbraw/zinc/81/70/90/394817090.db2.gz RUFFUMHTMHMLSN-QWRGUYRKSA-N 2 1 283.803 2.302 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422833278 394817787 /nfs/dbraw/zinc/81/77/87/394817787.db2.gz MBYIXTCOQKQQKM-IAGOWNOFSA-N 2 1 298.434 2.343 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414947404 394817833 /nfs/dbraw/zinc/81/78/33/394817833.db2.gz KTUWUXVCBMQESC-BXUZGUMPSA-N 2 1 250.390 2.003 20 0 CEADMP COC[C@]1(C[NH2+][C@@H](C)Cc2ccccc2C)CCC[NH2+]1 ZINC000414951002 394820428 /nfs/dbraw/zinc/82/04/28/394820428.db2.gz GCDTYSUFLHUMSD-DOTOQJQBSA-N 2 1 276.424 2.284 20 0 CEADMP Cc1ncc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)n1-c1ccccc1 ZINC000414951599 394820861 /nfs/dbraw/zinc/82/08/61/394820861.db2.gz HPQPJKGSSNZRMW-DYVFJYSZSA-N 2 1 284.407 2.268 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422926830 394864133 /nfs/dbraw/zinc/86/41/33/394864133.db2.gz XPPMTOGEDVRPKU-IPYPFGDCSA-N 2 1 292.423 2.365 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@@]1(C)C[NH3+] ZINC000415051476 394865162 /nfs/dbraw/zinc/86/51/62/394865162.db2.gz FUAZBJJTSYNWOQ-CZUORRHYSA-N 2 1 261.413 2.169 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)C[C@@]1(C)C[NH3+] ZINC000415054223 394866212 /nfs/dbraw/zinc/86/62/12/394866212.db2.gz LLTPZPPVEATNAN-SJKOYZFVSA-N 2 1 285.391 2.357 20 0 CEADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc(OC)c1 ZINC000415060151 394868412 /nfs/dbraw/zinc/86/84/12/394868412.db2.gz YDVUTDUGTYAPBF-INIZCTEOSA-N 2 1 278.396 2.311 20 0 CEADMP COCC[N@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000336714044 394870841 /nfs/dbraw/zinc/87/08/41/394870841.db2.gz PVTWLZLLPQWYDR-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000336714044 394870844 /nfs/dbraw/zinc/87/08/44/394870844.db2.gz PVTWLZLLPQWYDR-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP C[C@@H]([NH2+]CCc1ccccc1O)c1c[nH+]ccc1N ZINC000422972028 394871296 /nfs/dbraw/zinc/87/12/96/394871296.db2.gz KHZVYCIMJAXTPW-LLVKDONJSA-N 2 1 257.337 2.093 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000362975408 394872173 /nfs/dbraw/zinc/87/21/73/394872173.db2.gz FOLJRPYRLBAAQH-AJNGGQMLSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]([NH2+]Cc1ccnc(OC2CCCCC2)c1)C1C[NH2+]C1 ZINC000422973624 394873003 /nfs/dbraw/zinc/87/30/03/394873003.db2.gz PAKWCIHPYQEOGJ-ZDUSSCGKSA-N 2 1 289.423 2.491 20 0 CEADMP Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)CCC2 ZINC000423010271 394880083 /nfs/dbraw/zinc/88/00/83/394880083.db2.gz XIENXPDEHAYREM-ILXRZTDVSA-N 2 1 276.428 2.189 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000336841204 394881233 /nfs/dbraw/zinc/88/12/33/394881233.db2.gz ZBMCVORFRLBKFZ-HNNXBMFYSA-N 2 1 289.423 2.376 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000336841204 394881238 /nfs/dbraw/zinc/88/12/38/394881238.db2.gz ZBMCVORFRLBKFZ-HNNXBMFYSA-N 2 1 289.423 2.376 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH2+]CCOc1ccc(F)cc1F ZINC000415083249 394881359 /nfs/dbraw/zinc/88/13/59/394881359.db2.gz MSPAVHAUCMJKBY-LBPRGKRZSA-N 2 1 272.339 2.307 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1c(C)noc1C ZINC000415083816 394881823 /nfs/dbraw/zinc/88/18/23/394881823.db2.gz FTQBKFBUHOCEPP-STQMWFEESA-N 2 1 251.374 2.332 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000415084939 394882261 /nfs/dbraw/zinc/88/22/61/394882261.db2.gz PGIOLBPCIWJRGZ-IUODEOHRSA-N 2 1 275.396 2.265 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000414965546 394829493 /nfs/dbraw/zinc/82/94/93/394829493.db2.gz VPQUQWIOEBRPHL-CHWSQXEVSA-N 2 1 274.412 2.472 20 0 CEADMP C[NH2+][C@H](C)CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000414970269 394831240 /nfs/dbraw/zinc/83/12/40/394831240.db2.gz HDEJLVSDXFEYPZ-VDHUWJSZSA-N 2 1 287.451 2.095 20 0 CEADMP CC(C)Cn1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cn1 ZINC000414971573 394831387 /nfs/dbraw/zinc/83/13/87/394831387.db2.gz LPHQCKZHPODFNV-CQSZACIVSA-N 2 1 264.417 2.017 20 0 CEADMP CC(C)N1CCCC[C@H]1C[N@H+]1CCC[C@](C)(O)CC1 ZINC000336254073 394837190 /nfs/dbraw/zinc/83/71/90/394837190.db2.gz KZJUYPJMPXNLNZ-HOTGVXAUSA-N 2 1 268.445 2.486 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@](C)(O)CC1 ZINC000336254073 394837193 /nfs/dbraw/zinc/83/71/93/394837193.db2.gz KZJUYPJMPXNLNZ-HOTGVXAUSA-N 2 1 268.445 2.486 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC[C@](C)(O)CC1 ZINC000336254073 394837198 /nfs/dbraw/zinc/83/71/98/394837198.db2.gz KZJUYPJMPXNLNZ-HOTGVXAUSA-N 2 1 268.445 2.486 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000422868764 394840497 /nfs/dbraw/zinc/84/04/97/394840497.db2.gz VXIFWBLIPQXXCZ-NUJGCVRESA-N 2 1 289.467 2.266 20 0 CEADMP Cc1ccc(F)c(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000415000017 394842900 /nfs/dbraw/zinc/84/29/00/394842900.db2.gz JUUPNTLVQNJWIL-GFCCVEGCSA-N 2 1 272.314 2.469 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000422875689 394843783 /nfs/dbraw/zinc/84/37/83/394843783.db2.gz FQNJAFZTDYJICV-LSDHHAIUSA-N 3 1 255.450 2.216 20 0 CEADMP COC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC000363697262 394883551 /nfs/dbraw/zinc/88/35/51/394883551.db2.gz SXQFHCACSADWHA-HIFRSBDPSA-N 2 1 277.412 2.240 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422876786 394844948 /nfs/dbraw/zinc/84/49/48/394844948.db2.gz GOWFXVFRDZFMPH-AIEDFZFUSA-N 2 1 255.450 2.068 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422877333 394844998 /nfs/dbraw/zinc/84/49/98/394844998.db2.gz HRCIVRUWLQVOFK-PMPSAXMXSA-N 3 1 267.461 2.371 20 0 CEADMP C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422877333 394844999 /nfs/dbraw/zinc/84/49/99/394844999.db2.gz HRCIVRUWLQVOFK-PMPSAXMXSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422877333 394845001 /nfs/dbraw/zinc/84/50/01/394845001.db2.gz HRCIVRUWLQVOFK-PMPSAXMXSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000422878689 394845712 /nfs/dbraw/zinc/84/57/12/394845712.db2.gz UCVGNYXLAVUAJM-IWCQGFGOSA-N 2 1 273.424 2.119 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])CN1Cc1ccccc1 ZINC000422878689 394845716 /nfs/dbraw/zinc/84/57/16/394845716.db2.gz UCVGNYXLAVUAJM-IWCQGFGOSA-N 2 1 273.424 2.119 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000415006547 394846472 /nfs/dbraw/zinc/84/64/72/394846472.db2.gz KNJZAOWXERRKSS-KGLIPLIRSA-N 2 1 285.391 2.486 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000415008882 394847147 /nfs/dbraw/zinc/84/71/47/394847147.db2.gz NGISKZWUZBQBFV-XEZPLFJOSA-N 2 1 278.396 2.070 20 0 CEADMP C[C@H](NCCCC[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422884669 394849172 /nfs/dbraw/zinc/84/91/72/394849172.db2.gz SOEOSHGTYZTWAF-HOTGVXAUSA-N 2 1 267.461 2.229 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000281243827 394853561 /nfs/dbraw/zinc/85/35/61/394853561.db2.gz GITLTQSKVMRHCH-IAGOWNOFSA-N 2 1 274.408 2.062 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000281243827 394853566 /nfs/dbraw/zinc/85/35/66/394853566.db2.gz GITLTQSKVMRHCH-IAGOWNOFSA-N 2 1 274.408 2.062 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422894169 394854127 /nfs/dbraw/zinc/85/41/27/394854127.db2.gz SLUSCMZZOUBXJS-CVEARBPZSA-N 2 1 288.439 2.431 20 0 CEADMP CCSc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000415031714 394855955 /nfs/dbraw/zinc/85/59/55/394855955.db2.gz FBZXSZRRHKFMFQ-AWEZNQCLSA-N 2 1 280.437 2.267 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422897925 394856424 /nfs/dbraw/zinc/85/64/24/394856424.db2.gz KSZLYTORNXXJPI-GJZGRUSLSA-N 2 1 274.412 2.041 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415035630 394857777 /nfs/dbraw/zinc/85/77/77/394857777.db2.gz DWRPAGYFTBPPOP-ZFWWWQNUSA-N 2 1 290.407 2.365 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415035630 394857778 /nfs/dbraw/zinc/85/77/78/394857778.db2.gz DWRPAGYFTBPPOP-ZFWWWQNUSA-N 2 1 290.407 2.365 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422910243 394859689 /nfs/dbraw/zinc/85/96/89/394859689.db2.gz PXNCYRBFZPLQEU-STQMWFEESA-N 2 1 278.444 2.230 20 0 CEADMP CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422910243 394859692 /nfs/dbraw/zinc/85/96/92/394859692.db2.gz PXNCYRBFZPLQEU-STQMWFEESA-N 2 1 278.444 2.230 20 0 CEADMP [NH3+]C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415040230 394859764 /nfs/dbraw/zinc/85/97/64/394859764.db2.gz OSCKYCFYHNNPLB-AEFFLSMTSA-N 3 1 287.451 2.368 20 0 CEADMP FC(F)(F)c1cccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000415044033 394861646 /nfs/dbraw/zinc/86/16/46/394861646.db2.gz RXBFOTPNLURXED-CYBMUJFWSA-N 2 1 288.313 2.174 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000415090551 394886060 /nfs/dbraw/zinc/88/60/60/394886060.db2.gz XXPWRGGDMKRECG-QGZVFWFLSA-N 2 1 286.423 2.394 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H](C[NH3+])C2CC2)C[C@H]1c1ccccc1 ZINC000423272420 394889086 /nfs/dbraw/zinc/88/90/86/394889086.db2.gz HYORBIDEZSFUOG-BBWFWOEESA-N 2 1 273.424 2.149 20 0 CEADMP C[N@H+]1CC[C@H](NCC(C)(C)[NH3+])C[C@H]1c1ccccc1 ZINC000423283256 394889191 /nfs/dbraw/zinc/88/91/91/394889191.db2.gz FBNAEALPCXULKI-GJZGRUSLSA-N 2 1 261.413 2.149 20 0 CEADMP C[C@H](C[NH3+])CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423299887 394889912 /nfs/dbraw/zinc/88/99/12/394889912.db2.gz CNIBREBLYVAWNM-KBMXLJTQSA-N 2 1 261.413 2.006 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000423299887 394889914 /nfs/dbraw/zinc/88/99/14/394889914.db2.gz CNIBREBLYVAWNM-KBMXLJTQSA-N 2 1 261.413 2.006 20 0 CEADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]([NH3+])C1CC1)CC2 ZINC000423313191 394889949 /nfs/dbraw/zinc/88/99/49/394889949.db2.gz FIWSUAOBUVJTQJ-UONOGXRCSA-N 2 1 276.380 2.018 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C)Cc2ccccc21 ZINC000415104803 394890797 /nfs/dbraw/zinc/89/07/97/394890797.db2.gz LSSUVFVNAHWDGM-OAHLLOKOSA-N 2 1 261.413 2.312 20 0 CEADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCC3CCCCC3)C2)nn1 ZINC000415117893 394895365 /nfs/dbraw/zinc/89/53/65/394895365.db2.gz DKDWRLYPBOLMRQ-INIZCTEOSA-N 2 1 291.443 2.344 20 0 CEADMP CCc1ncc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000415125515 394898270 /nfs/dbraw/zinc/89/82/70/394898270.db2.gz LJBCBJFDWCKHMT-MNOVXSKESA-N 2 1 253.415 2.122 20 0 CEADMP CCc1ncc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000415125515 394898271 /nfs/dbraw/zinc/89/82/71/394898271.db2.gz LJBCBJFDWCKHMT-MNOVXSKESA-N 2 1 253.415 2.122 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000415128228 394899075 /nfs/dbraw/zinc/89/90/75/394899075.db2.gz SPGFJNJJOQURJK-JHNDHUHGSA-N 2 1 274.408 2.182 20 0 CEADMP C(C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423355853 394899311 /nfs/dbraw/zinc/89/93/11/394899311.db2.gz IQEJMPJTTRDFQQ-QXSJWSMHSA-N 3 1 265.445 2.029 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)nc2)C[C@H]1C[NH3+] ZINC000415125854 394899444 /nfs/dbraw/zinc/89/94/44/394899444.db2.gz LLRUZYHODTVEMA-GDBMZVCRSA-N 2 1 288.439 2.099 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000415130807 394899908 /nfs/dbraw/zinc/89/99/08/394899908.db2.gz XWOCDBJTOJLMCZ-UHFFFAOYSA-N 2 1 262.397 2.095 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C12CCCC2 ZINC000423361358 394900999 /nfs/dbraw/zinc/90/09/99/394900999.db2.gz RTQFTTGYHFJCTM-RDBSUJKOSA-N 2 1 252.402 2.066 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(C)n1 ZINC000415133769 394901172 /nfs/dbraw/zinc/90/11/72/394901172.db2.gz VMGBLARKXYAVNE-SMDDNHRTSA-N 2 1 277.412 2.124 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)[C@@H]1CCC[NH2+]1 ZINC000423370633 394904953 /nfs/dbraw/zinc/90/49/53/394904953.db2.gz UMKPNIITKCSREW-RLCCDNCMSA-N 2 1 259.397 2.376 20 0 CEADMP CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338280069 394911554 /nfs/dbraw/zinc/91/15/54/394911554.db2.gz PAOMZAVHGXTUHW-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338280069 394911557 /nfs/dbraw/zinc/91/15/57/394911557.db2.gz PAOMZAVHGXTUHW-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C12CCC2 ZINC000423398756 394914500 /nfs/dbraw/zinc/91/45/00/394914500.db2.gz VLUPDILOLMYVHN-YIYPIFLZSA-N 2 1 252.402 2.064 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C12CCC2 ZINC000423398757 394914604 /nfs/dbraw/zinc/91/46/04/394914604.db2.gz VLUPDILOLMYVHN-ZOBORPQBSA-N 2 1 252.402 2.064 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000423441227 394921545 /nfs/dbraw/zinc/92/15/45/394921545.db2.gz BDCOGXNMFUWNRP-GXFFZTMASA-N 2 1 252.333 2.149 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423450716 394923012 /nfs/dbraw/zinc/92/30/12/394923012.db2.gz UBZWNTWDPLQXIE-MCIONIFRSA-N 3 1 279.428 2.013 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2cc(OC)c(OC)cc21 ZINC000423456584 394924679 /nfs/dbraw/zinc/92/46/79/394924679.db2.gz DRPXSRNUALOFJZ-AAEUAGOBSA-N 2 1 264.369 2.018 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCN2CCc3sccc3C2)CC[N@H+]1C ZINC000132832274 394938817 /nfs/dbraw/zinc/93/88/17/394938817.db2.gz JSMJMJABJUAFHN-ZFWWWQNUSA-N 2 1 293.480 2.179 20 0 CEADMP Cc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C2CCC2)cc1 ZINC000423504924 394939619 /nfs/dbraw/zinc/93/96/19/394939619.db2.gz GEURKOPCMCRPJF-ZWKOTPCHSA-N 2 1 287.451 2.329 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000423778054 394982176 /nfs/dbraw/zinc/98/21/76/394982176.db2.gz SMPUPHPQCDWYIH-GJZGRUSLSA-N 2 1 297.487 2.249 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423781912 394983559 /nfs/dbraw/zinc/98/35/59/394983559.db2.gz YIQMULDEAHTELK-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340397263 394984867 /nfs/dbraw/zinc/98/48/67/394984867.db2.gz YSAQHRPZQHVSEO-OWCLPIDISA-N 2 1 262.397 2.182 20 0 CEADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340397263 394984869 /nfs/dbraw/zinc/98/48/69/394984869.db2.gz YSAQHRPZQHVSEO-OWCLPIDISA-N 2 1 262.397 2.182 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(C)C ZINC000340515503 394987176 /nfs/dbraw/zinc/98/71/76/394987176.db2.gz QZSOZLFINWXXNK-RBSFLKMASA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(C)C ZINC000340515503 394987181 /nfs/dbraw/zinc/98/71/81/394987181.db2.gz QZSOZLFINWXXNK-RBSFLKMASA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000370638799 395010299 /nfs/dbraw/zinc/01/02/99/395010299.db2.gz ZHNOLMCVDYZNHD-RDJZCZTQSA-N 2 1 288.435 2.402 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNc1nc2ccccc2n1C ZINC000342706196 395020061 /nfs/dbraw/zinc/02/00/61/395020061.db2.gz RFGAGGXRPGFEPT-ZDUSSCGKSA-N 2 1 272.396 2.282 20 0 CEADMP CC(C)[N@@H+](C)CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416162572 395024935 /nfs/dbraw/zinc/02/49/35/395024935.db2.gz VHKKZAGOGJVSCA-INIZCTEOSA-N 2 1 291.439 2.136 20 0 CEADMP CC(C)OCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339431179 394959708 /nfs/dbraw/zinc/95/97/08/394959708.db2.gz VTHRNNJVOBRMSH-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)OCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339431179 394959713 /nfs/dbraw/zinc/95/97/13/394959713.db2.gz VTHRNNJVOBRMSH-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)OCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339431179 394959716 /nfs/dbraw/zinc/95/97/16/394959716.db2.gz VTHRNNJVOBRMSH-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCOc2cc(O)ccc2C1 ZINC000285594384 394961322 /nfs/dbraw/zinc/96/13/22/394961322.db2.gz USNINPPYTKSGDR-CQSZACIVSA-N 2 1 276.380 2.071 20 0 CEADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367613943 394966741 /nfs/dbraw/zinc/96/67/41/394966741.db2.gz GLTDVPXKEGYSQR-ZNMIVQPWSA-N 2 1 268.445 2.248 20 0 CEADMP CN(C)C(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344084274 395049662 /nfs/dbraw/zinc/04/96/62/395049662.db2.gz DCHOOGIOQNFYMF-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnn(C)c1 ZINC000158657864 395051302 /nfs/dbraw/zinc/05/13/02/395051302.db2.gz KSDXZNKMYGWXNA-KFWWJZLASA-N 2 1 278.444 2.439 20 0 CEADMP CCCCN(CC)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158669572 395051344 /nfs/dbraw/zinc/05/13/44/395051344.db2.gz DKUQFVGTLJKXQT-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCN(CC)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158669572 395051348 /nfs/dbraw/zinc/05/13/48/395051348.db2.gz DKUQFVGTLJKXQT-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCN(CC)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158669572 395051350 /nfs/dbraw/zinc/05/13/50/395051350.db2.gz DKUQFVGTLJKXQT-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCN(CC)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158669572 395051356 /nfs/dbraw/zinc/05/13/56/395051356.db2.gz DKUQFVGTLJKXQT-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c1C ZINC000425531689 395061286 /nfs/dbraw/zinc/06/12/86/395061286.db2.gz MKTVIBFRSJBZGM-GOEBONIOSA-N 2 1 289.423 2.233 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1C ZINC000425531689 395061287 /nfs/dbraw/zinc/06/12/87/395061287.db2.gz MKTVIBFRSJBZGM-GOEBONIOSA-N 2 1 289.423 2.233 20 0 CEADMP Cc1nccn1CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000162292079 395073157 /nfs/dbraw/zinc/07/31/57/395073157.db2.gz BDWMUNPFKXWICF-IAGOWNOFSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000162292079 395073160 /nfs/dbraw/zinc/07/31/60/395073160.db2.gz BDWMUNPFKXWICF-IAGOWNOFSA-N 3 1 290.455 2.388 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000162292079 395073164 /nfs/dbraw/zinc/07/31/64/395073164.db2.gz BDWMUNPFKXWICF-IAGOWNOFSA-N 3 1 290.455 2.388 20 0 CEADMP Cc1cnc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000374172837 395075720 /nfs/dbraw/zinc/07/57/20/395075720.db2.gz MHEPRQGNCSDNTB-UHFFFAOYSA-N 2 1 263.385 2.291 20 0 CEADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C[N@H+]1C ZINC000426914326 395085728 /nfs/dbraw/zinc/08/57/28/395085728.db2.gz PDOKLBNHDIQHAG-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)OC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000375592904 395094990 /nfs/dbraw/zinc/09/49/90/395094990.db2.gz VFFSQZIBSXDCQG-AVOUXACISA-N 2 1 254.418 2.405 20 0 CEADMP CC(C)OC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000375592904 395094994 /nfs/dbraw/zinc/09/49/94/395094994.db2.gz VFFSQZIBSXDCQG-AVOUXACISA-N 2 1 254.418 2.405 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCO1 ZINC000157701905 395035602 /nfs/dbraw/zinc/03/56/02/395035602.db2.gz KGGVGQLGEIZUEG-BARDWOONSA-N 2 1 254.418 2.262 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000157701905 395035604 /nfs/dbraw/zinc/03/56/04/395035604.db2.gz KGGVGQLGEIZUEG-BARDWOONSA-N 2 1 254.418 2.262 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000494575998 395123091 /nfs/dbraw/zinc/12/30/91/395123091.db2.gz VFPUIBDWZCMCHK-CYBMUJFWSA-N 2 1 265.376 2.431 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000494575998 395123093 /nfs/dbraw/zinc/12/30/93/395123093.db2.gz VFPUIBDWZCMCHK-CYBMUJFWSA-N 2 1 265.376 2.431 20 0 CEADMP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@@H]3[NH2+]CC[C@H]3C1)CC2 ZINC000428032988 395133420 /nfs/dbraw/zinc/13/34/20/395133420.db2.gz LVWHGWUIHYIUIW-VBNZEHGJSA-N 2 1 260.356 2.497 20 0 CEADMP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@@H]3[NH2+]CC[C@H]3C1)CC2 ZINC000428032988 395133424 /nfs/dbraw/zinc/13/34/24/395133424.db2.gz LVWHGWUIHYIUIW-VBNZEHGJSA-N 2 1 260.356 2.497 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428038319 395133825 /nfs/dbraw/zinc/13/38/25/395133825.db2.gz XNOUHSZBWSKTAP-HOTGVXAUSA-N 2 1 274.408 2.448 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000430630605 395165628 /nfs/dbraw/zinc/16/56/28/395165628.db2.gz ZACDRQUTIRGQSB-HNNXBMFYSA-N 2 1 261.413 2.054 20 0 CEADMP COc1cc(Br)ccc1C[N@H+](C)CCC[NH3+] ZINC000381986207 395177975 /nfs/dbraw/zinc/17/79/75/395177975.db2.gz MYUQJWWEEMZFRS-UHFFFAOYSA-N 2 1 287.201 2.238 20 0 CEADMP COc1cc(Br)ccc1C[N@@H+](C)CCC[NH3+] ZINC000381986207 395177977 /nfs/dbraw/zinc/17/79/77/395177977.db2.gz MYUQJWWEEMZFRS-UHFFFAOYSA-N 2 1 287.201 2.238 20 0 CEADMP CSc1ccc(OCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351500329 395226465 /nfs/dbraw/zinc/22/64/65/395226465.db2.gz XBGDDEYRPKZREU-VBNZEHGJSA-N 2 1 292.448 2.456 20 0 CEADMP CC(C)c1cc(N(C)CC[N@H+](C)C2CC2)nc(N(C)C)[nH+]1 ZINC000351589488 395228054 /nfs/dbraw/zinc/22/80/54/395228054.db2.gz YWWMPPIOHZNDBA-UHFFFAOYSA-N 2 1 291.443 2.196 20 0 CEADMP CC(C)c1cc(N(C)CC[N@@H+](C)C2CC2)nc(N(C)C)[nH+]1 ZINC000351589488 395228057 /nfs/dbraw/zinc/22/80/57/395228057.db2.gz YWWMPPIOHZNDBA-UHFFFAOYSA-N 2 1 291.443 2.196 20 0 CEADMP C[C@H](C[NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398217974 395230783 /nfs/dbraw/zinc/23/07/83/395230783.db2.gz VGEPOSHBGWTBAV-BFYDXBDKSA-N 2 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398217974 395230787 /nfs/dbraw/zinc/23/07/87/395230787.db2.gz VGEPOSHBGWTBAV-BFYDXBDKSA-N 3 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398217974 395230793 /nfs/dbraw/zinc/23/07/93/395230793.db2.gz VGEPOSHBGWTBAV-BFYDXBDKSA-N 3 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398217974 395230799 /nfs/dbraw/zinc/23/07/99/395230799.db2.gz VGEPOSHBGWTBAV-BFYDXBDKSA-N 2 1 275.440 2.081 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000352157174 395245858 /nfs/dbraw/zinc/24/58/58/395245858.db2.gz SJRCMQZTOFHVED-OAGGEKHMSA-N 2 1 297.487 2.390 20 0 CEADMP COCC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCCSC1 ZINC000433189323 395206084 /nfs/dbraw/zinc/20/60/84/395206084.db2.gz RWCDVDVLYVHPPV-LSDHHAIUSA-N 2 1 286.485 2.315 20 0 CEADMP COCC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCSC1 ZINC000433189323 395206087 /nfs/dbraw/zinc/20/60/87/395206087.db2.gz RWCDVDVLYVHPPV-LSDHHAIUSA-N 2 1 286.485 2.315 20 0 CEADMP COCC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCSC1 ZINC000433189323 395206091 /nfs/dbraw/zinc/20/60/91/395206091.db2.gz RWCDVDVLYVHPPV-LSDHHAIUSA-N 2 1 286.485 2.315 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000519710333 395212729 /nfs/dbraw/zinc/21/27/29/395212729.db2.gz XYNCGTJXJVWSGJ-WMZOPIPTSA-N 2 1 290.451 2.405 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000519710333 395212731 /nfs/dbraw/zinc/21/27/31/395212731.db2.gz XYNCGTJXJVWSGJ-WMZOPIPTSA-N 2 1 290.451 2.405 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000519710333 395212734 /nfs/dbraw/zinc/21/27/34/395212734.db2.gz XYNCGTJXJVWSGJ-WMZOPIPTSA-N 2 1 290.451 2.405 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000519710333 395212736 /nfs/dbraw/zinc/21/27/36/395212736.db2.gz XYNCGTJXJVWSGJ-WMZOPIPTSA-N 2 1 290.451 2.405 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cccc(OCc2ccccn2)c1 ZINC000519711600 395212746 /nfs/dbraw/zinc/21/27/46/395212746.db2.gz JCKBZOYPBUGQRB-UHFFFAOYSA-N 2 1 285.391 2.441 20 0 CEADMP Cc1nc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)[nH]c1C ZINC000519718378 395215182 /nfs/dbraw/zinc/21/51/82/395215182.db2.gz WIOWGZOOGDNAAK-UHFFFAOYSA-N 2 1 272.396 2.378 20 0 CEADMP COc1ccccc1OCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397307912 395220816 /nfs/dbraw/zinc/22/08/16/395220816.db2.gz NJABACVVPMXZPP-ZNMIVQPWSA-N 2 1 292.423 2.379 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000397288447 395221009 /nfs/dbraw/zinc/22/10/09/395221009.db2.gz VSGYVNANXNHEDZ-XEZPLFJOSA-N 2 1 290.407 2.278 20 0 CEADMP Cc1noc(C)c1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397315185 395223257 /nfs/dbraw/zinc/22/32/57/395223257.db2.gz QOGWWMLCGQEFOE-BREBYQMCSA-N 2 1 251.374 2.097 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000400498786 395253011 /nfs/dbraw/zinc/25/30/11/395253011.db2.gz GKUVVCKRNCUMSF-CWLKWCNXSA-N 2 1 287.451 2.380 20 0 CEADMP CCc1nc(N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc(C)[nH+]1 ZINC000404391868 395282815 /nfs/dbraw/zinc/28/28/15/395282815.db2.gz YJWIYFNXLVVGSA-YPMHNXCESA-N 2 1 262.401 2.301 20 0 CEADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353389842 395295348 /nfs/dbraw/zinc/29/53/48/395295348.db2.gz XRNOKHANSALNCD-KFWWJZLASA-N 2 1 254.418 2.264 20 0 CEADMP COc1ccccc1CCC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000420290588 395298138 /nfs/dbraw/zinc/29/81/38/395298138.db2.gz MEYOZTQMSBBOFG-INIZCTEOSA-N 2 1 262.397 2.345 20 0 CEADMP COc1cccc(OCC[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000420290569 395298514 /nfs/dbraw/zinc/29/85/14/395298514.db2.gz MCRMTDHLFSBTBJ-UONOGXRCSA-N 2 1 278.396 2.133 20 0 CEADMP COc1cccc(OCC[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000420290570 395298544 /nfs/dbraw/zinc/29/85/44/395298544.db2.gz MCRMTDHLFSBTBJ-ZIAGYGMSSA-N 2 1 278.396 2.133 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCc2ccccc2OC)C1 ZINC000420292088 395299621 /nfs/dbraw/zinc/29/96/21/395299621.db2.gz LGELLVICKVNYHX-AWEZNQCLSA-N 2 1 262.397 2.169 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H](CCO)c1ccccc1 ZINC000420297941 395303988 /nfs/dbraw/zinc/30/39/88/395303988.db2.gz GRODNULJABUDPI-NVXWUHKLSA-N 2 1 276.424 2.432 20 0 CEADMP COC(=O)[C@H](c1ccsc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420298973 395304681 /nfs/dbraw/zinc/30/46/81/395304681.db2.gz AOGVMWJDXQQPSY-ZDUSSCGKSA-N 2 1 294.420 2.038 20 0 CEADMP COC(=O)[C@H](c1ccsc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420298973 395304684 /nfs/dbraw/zinc/30/46/84/395304684.db2.gz AOGVMWJDXQQPSY-ZDUSSCGKSA-N 2 1 294.420 2.038 20 0 CEADMP c1cc([C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)cs1 ZINC000420299828 395305729 /nfs/dbraw/zinc/30/57/29/395305729.db2.gz JMCSCCHTHYKIAU-OCCSQVGLSA-N 2 1 266.410 2.121 20 0 CEADMP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C(C1CC1)C1CC1 ZINC000420302055 395307131 /nfs/dbraw/zinc/30/71/31/395307131.db2.gz LWLWXXCYEWFOPD-IRXDYDNUSA-N 2 1 288.435 2.038 20 0 CEADMP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C(C1CC1)C1CC1 ZINC000420302055 395307135 /nfs/dbraw/zinc/30/71/35/395307135.db2.gz LWLWXXCYEWFOPD-IRXDYDNUSA-N 2 1 288.435 2.038 20 0 CEADMP c1nn(-c2ccccc2)c2c1C[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420305939 395310926 /nfs/dbraw/zinc/31/09/26/395310926.db2.gz QEAUZFCNYDWECW-OAHLLOKOSA-N 2 1 296.418 2.230 20 0 CEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420309873 395314571 /nfs/dbraw/zinc/31/45/71/395314571.db2.gz UFOYKNAAJMAHBQ-SIXLDLHFSA-N 2 1 276.424 2.038 20 0 CEADMP CCOC(=O)CC1([NH2+]CCn2cc[nH+]c2C)CCCC1 ZINC000434618012 395314903 /nfs/dbraw/zinc/31/49/03/395314903.db2.gz XNEVYUDLTWGOJA-UHFFFAOYSA-N 2 1 279.384 2.047 20 0 CEADMP CCOC(=O)CC1([NH2+]CCCn2cc[nH+]c2C)CCCC1 ZINC000434617635 395315442 /nfs/dbraw/zinc/31/54/42/395315442.db2.gz MEGPMUNFAKKNGQ-UHFFFAOYSA-N 2 1 293.411 2.437 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(C)s1 ZINC000420316483 395320038 /nfs/dbraw/zinc/32/00/38/395320038.db2.gz SUJOYHDQILUNHK-GFCCVEGCSA-N 2 1 296.436 2.404 20 0 CEADMP c1ccc(N[C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420315605 395320187 /nfs/dbraw/zinc/32/01/87/395320187.db2.gz KZTBXANJHHEUEY-GOEBONIOSA-N 2 1 259.397 2.172 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CO1 ZINC000401806303 395262228 /nfs/dbraw/zinc/26/22/28/395262228.db2.gz AHLZNAMYERYZGI-ZBFHGGJFSA-N 2 1 262.397 2.276 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000401879820 395263912 /nfs/dbraw/zinc/26/39/12/395263912.db2.gz NNFBQMLMTDWEHI-RHSMWYFYSA-N 2 1 274.408 2.418 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCN1CC(F)F ZINC000420366887 395353848 /nfs/dbraw/zinc/35/38/48/395353848.db2.gz UZZGDEOYYXZOOW-UONOGXRCSA-N 2 1 289.414 2.037 20 0 CEADMP CCC[C@H]1CN(C[C@H](C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000420371185 395357714 /nfs/dbraw/zinc/35/77/14/395357714.db2.gz KIDKTTJHWVSIOU-RDJZCZTQSA-N 2 1 275.440 2.320 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000420373275 395359135 /nfs/dbraw/zinc/35/91/35/395359135.db2.gz RAPMOOONGJEEND-XNJGSVPQSA-N 2 1 274.408 2.140 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420374321 395361075 /nfs/dbraw/zinc/36/10/75/395361075.db2.gz NMFTZIBNLLJZGA-GFCCVEGCSA-N 2 1 280.334 2.031 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440814029 395361398 /nfs/dbraw/zinc/36/13/98/395361398.db2.gz CAIMFIZOGHDAGO-SNVBAGLBSA-N 2 1 290.333 2.250 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440814029 395361402 /nfs/dbraw/zinc/36/14/02/395361402.db2.gz CAIMFIZOGHDAGO-SNVBAGLBSA-N 2 1 290.333 2.250 20 0 CEADMP CC[N@@H+](CCC1CCN(C[C@@H](C)[NH3+])CC1)CC(C)C ZINC000420375879 395362380 /nfs/dbraw/zinc/36/23/80/395362380.db2.gz QAKQVGFKVNHWFY-OAHLLOKOSA-N 2 1 269.477 2.414 20 0 CEADMP CC[N@H+](CCC1CC[NH+](C[C@@H](C)[NH3+])CC1)CC(C)C ZINC000420375879 395362386 /nfs/dbraw/zinc/36/23/86/395362386.db2.gz QAKQVGFKVNHWFY-OAHLLOKOSA-N 3 1 269.477 2.414 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](C)[NH3+])CC1)CC(C)C ZINC000420375879 395362391 /nfs/dbraw/zinc/36/23/91/395362391.db2.gz QAKQVGFKVNHWFY-OAHLLOKOSA-N 3 1 269.477 2.414 20 0 CEADMP CC[N@H+](CCC1CC[NH+](C[C@@H](C)N)CC1)CC(C)C ZINC000420375879 395362396 /nfs/dbraw/zinc/36/23/96/395362396.db2.gz QAKQVGFKVNHWFY-OAHLLOKOSA-N 2 1 269.477 2.414 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](C)N)CC1)CC(C)C ZINC000420375879 395362399 /nfs/dbraw/zinc/36/23/99/395362399.db2.gz QAKQVGFKVNHWFY-OAHLLOKOSA-N 2 1 269.477 2.414 20 0 CEADMP Cc1ncsc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000355218610 395371254 /nfs/dbraw/zinc/37/12/54/395371254.db2.gz XUVSCPLRONWEIZ-BFHYXJOUSA-N 2 1 295.452 2.135 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000355218610 395371258 /nfs/dbraw/zinc/37/12/58/395371258.db2.gz XUVSCPLRONWEIZ-BFHYXJOUSA-N 2 1 295.452 2.135 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420413829 395373960 /nfs/dbraw/zinc/37/39/60/395373960.db2.gz TWNICDAZYUHJSV-WFASDCNBSA-N 2 1 275.396 2.062 20 0 CEADMP COC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000420423222 395375524 /nfs/dbraw/zinc/37/55/24/395375524.db2.gz ZZFLOJRVQUKOHN-XHDPSFHLSA-N 2 1 284.350 2.242 20 0 CEADMP C[C@H]1CC[N@@H+](CCc2nc3ccccc3n2C)C[C@H]1C[NH3+] ZINC000420418089 395375698 /nfs/dbraw/zinc/37/56/98/395375698.db2.gz WVEKUWDOTMOTFD-UONOGXRCSA-N 2 1 286.423 2.033 20 0 CEADMP CCc1csc([C@@H]2CCC[N@H+](CCC[NH2+]C)C2)n1 ZINC000435883811 395393765 /nfs/dbraw/zinc/39/37/65/395393765.db2.gz BMIPBSMUKWJGMI-GFCCVEGCSA-N 2 1 267.442 2.494 20 0 CEADMP CCc1csc([C@@H]2CCC[N@@H+](CCC[NH2+]C)C2)n1 ZINC000435883811 395393768 /nfs/dbraw/zinc/39/37/68/395393768.db2.gz BMIPBSMUKWJGMI-GFCCVEGCSA-N 2 1 267.442 2.494 20 0 CEADMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nccn1C(F)F ZINC000420327313 395329229 /nfs/dbraw/zinc/32/92/29/395329229.db2.gz YMBRLXGMEXMGIQ-NSHDSACASA-N 2 1 272.343 2.100 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nccn1C(F)F ZINC000420327313 395329233 /nfs/dbraw/zinc/32/92/33/395329233.db2.gz YMBRLXGMEXMGIQ-NSHDSACASA-N 2 1 272.343 2.100 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420327040 395329528 /nfs/dbraw/zinc/32/95/28/395329528.db2.gz YHAFHOJDPLPRGU-ROUUACIJSA-N 3 1 293.499 2.430 20 0 CEADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328497 395329952 /nfs/dbraw/zinc/32/99/52/395329952.db2.gz MQRLWWVQRYJOBG-ILXRZTDVSA-N 2 1 259.397 2.464 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)[C@H]1CCCCO1 ZINC000420334313 395332941 /nfs/dbraw/zinc/33/29/41/395332941.db2.gz UEGKWTCPIAPZMQ-ARFHVFGLSA-N 2 1 266.429 2.267 20 0 CEADMP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338851 395335102 /nfs/dbraw/zinc/33/51/02/395335102.db2.gz YDNUUPBIUVXANI-RRFJBIMHSA-N 2 1 282.428 2.040 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000354531088 395335922 /nfs/dbraw/zinc/33/59/22/395335922.db2.gz IEEIFYBHCOIRRU-JYJNAYRXSA-N 2 1 295.471 2.238 20 0 CEADMP c1ccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420343796 395338385 /nfs/dbraw/zinc/33/83/85/395338385.db2.gz RIGUKQCUBJRNSW-HZPDHXFCSA-N 2 1 274.408 2.387 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440637588 395338861 /nfs/dbraw/zinc/33/88/61/395338861.db2.gz OBIXGTHLORWFOH-GXSJLCMTSA-N 2 1 290.333 2.391 20 0 CEADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000420350537 395339832 /nfs/dbraw/zinc/33/98/32/395339832.db2.gz TVNRKFDDIBPVFF-IKGGRYGDSA-N 2 1 279.472 2.182 20 0 CEADMP c1ccc(C[N@H+](CCC2CC[NH2+]CC2)C2CC2)nc1 ZINC000420356747 395344224 /nfs/dbraw/zinc/34/42/24/395344224.db2.gz GWDXPSPJNIUJIC-UHFFFAOYSA-N 2 1 259.397 2.436 20 0 CEADMP CC[C@H]1CN(CCC[NH2+]C)CC[N@H+]1Cc1ccccc1 ZINC000420363558 395349558 /nfs/dbraw/zinc/34/95/58/395349558.db2.gz BNIOCCUOGBGNOQ-KRWDZBQOSA-N 2 1 275.440 2.192 20 0 CEADMP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000420365788 395352330 /nfs/dbraw/zinc/35/23/30/395352330.db2.gz SPIIBRZGGDNREE-QGZVFWFLSA-N 2 1 293.430 2.360 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000355295027 395401551 /nfs/dbraw/zinc/40/15/51/395401551.db2.gz UMEJNDDNGZWIEH-LXTVHRRPSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC[NH2+]3)cc2)C1 ZINC000444166738 395419936 /nfs/dbraw/zinc/41/99/36/395419936.db2.gz CEPXTUQZFZGAQT-XJKSGUPXSA-N 2 1 287.407 2.219 20 0 CEADMP CCC[N@@H+](CCC[NH+]1CCCCC1)CC(C)(C)O ZINC000444628442 395441917 /nfs/dbraw/zinc/44/19/17/395441917.db2.gz TZTFPXVCCYXMGT-UHFFFAOYSA-N 2 1 256.434 2.345 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1[NH+](C)CCCC1(C)C ZINC000448021635 395506844 /nfs/dbraw/zinc/50/68/44/395506844.db2.gz JSJATGCUEBGWLB-QLFBSQMISA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448021635 395506847 /nfs/dbraw/zinc/50/68/47/395506847.db2.gz JSJATGCUEBGWLB-QLFBSQMISA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448021635 395506850 /nfs/dbraw/zinc/50/68/50/395506850.db2.gz JSJATGCUEBGWLB-QLFBSQMISA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000448021635 395506854 /nfs/dbraw/zinc/50/68/54/395506854.db2.gz JSJATGCUEBGWLB-QLFBSQMISA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000448021635 395506857 /nfs/dbraw/zinc/50/68/57/395506857.db2.gz JSJATGCUEBGWLB-QLFBSQMISA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000566230657 395507130 /nfs/dbraw/zinc/50/71/30/395507130.db2.gz ALLZALNIPRVYDO-CJNGLKHVSA-N 2 1 282.391 2.313 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000566230657 395507132 /nfs/dbraw/zinc/50/71/32/395507132.db2.gz ALLZALNIPRVYDO-CJNGLKHVSA-N 2 1 282.391 2.313 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2[NH+](C)CCCC2(C)C)[C@H](C)C1 ZINC000448022654 395507791 /nfs/dbraw/zinc/50/77/91/395507791.db2.gz PAVWFAJHCLEQRQ-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2[N@H+](C)CCCC2(C)C)[C@H](C)C1 ZINC000448022654 395507793 /nfs/dbraw/zinc/50/77/93/395507793.db2.gz PAVWFAJHCLEQRQ-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2[N@@H+](C)CCCC2(C)C)[C@H](C)C1 ZINC000448022654 395507795 /nfs/dbraw/zinc/50/77/95/395507795.db2.gz PAVWFAJHCLEQRQ-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2N(C)CCCC2(C)C)[C@H](C)C1 ZINC000448022654 395507796 /nfs/dbraw/zinc/50/77/96/395507796.db2.gz PAVWFAJHCLEQRQ-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2N(C)CCCC2(C)C)[C@H](C)C1 ZINC000448022654 395507798 /nfs/dbraw/zinc/50/77/98/395507798.db2.gz PAVWFAJHCLEQRQ-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC(C2CCOCC2)CC1 ZINC000566415080 395520288 /nfs/dbraw/zinc/52/02/88/395520288.db2.gz WPCJJTYVMWGFSU-UHFFFAOYSA-N 2 1 291.439 2.491 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000566500473 395531801 /nfs/dbraw/zinc/53/18/01/395531801.db2.gz IXNRECUVKWXHDU-VYDXJSESSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000566500473 395531804 /nfs/dbraw/zinc/53/18/04/395531804.db2.gz IXNRECUVKWXHDU-VYDXJSESSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOCC1CCC1 ZINC000565710410 395481560 /nfs/dbraw/zinc/48/15/60/395481560.db2.gz MXNPNYIRZOZFLB-YOEHRIQHSA-N 2 1 276.424 2.351 20 0 CEADMP O[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000565870949 395488092 /nfs/dbraw/zinc/48/80/92/395488092.db2.gz RHHDNMKWVQPSHB-OWCLPIDISA-N 2 1 289.423 2.367 20 0 CEADMP COC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCCC1 ZINC000446820763 395499185 /nfs/dbraw/zinc/49/91/85/395499185.db2.gz HKIHDFLOOOJPKG-SJORKVTESA-N 2 1 298.471 2.018 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC[NH+](C2CC2)CC1 ZINC000446887485 395501300 /nfs/dbraw/zinc/50/13/00/395501300.db2.gz ULOPPJUYSOHRGA-NVXWUHKLSA-N 3 1 277.456 2.077 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000566158624 395503282 /nfs/dbraw/zinc/50/32/82/395503282.db2.gz OMRXNZBGQYGFBB-KKUMJFAQSA-N 2 1 283.460 2.131 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CCCC[NH3+])c1 ZINC000573686637 395615582 /nfs/dbraw/zinc/61/55/82/395615582.db2.gz PMQAOLUDGCYZHV-UHFFFAOYSA-N 2 1 291.439 2.272 20 0 CEADMP OCCC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000573807716 395619299 /nfs/dbraw/zinc/61/92/99/395619299.db2.gz AFQQWMOVMWTVOJ-UHFFFAOYSA-N 2 1 276.424 2.261 20 0 CEADMP CCC1(CC)CCC[N@@H+](C[C@](C)(O)C[NH2+]C)CC1 ZINC000572888141 395593331 /nfs/dbraw/zinc/59/33/31/395593331.db2.gz KEXKCLKRCNYRBK-CQSZACIVSA-N 2 1 256.434 2.249 20 0 CEADMP CO[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)CC1(C)C ZINC000451564687 395623010 /nfs/dbraw/zinc/62/30/10/395623010.db2.gz MGUZZURMHFNTSE-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000451564687 395623011 /nfs/dbraw/zinc/62/30/11/395623011.db2.gz MGUZZURMHFNTSE-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000451564687 395623012 /nfs/dbraw/zinc/62/30/12/395623012.db2.gz MGUZZURMHFNTSE-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2COc3ccc(F)cc32)C1 ZINC000574584650 395633063 /nfs/dbraw/zinc/63/30/63/395633063.db2.gz JDWLRRPUDDVLBK-NTZNESFSSA-N 2 1 250.317 2.119 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCCC(=O)N(C)C)CC1 ZINC000574703350 395635794 /nfs/dbraw/zinc/63/57/94/395635794.db2.gz RVHVXZWUKYSQQZ-UHFFFAOYSA-N 2 1 297.487 2.299 20 0 CEADMP Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C)ccc1C[NH+](C)C ZINC000458284649 395641572 /nfs/dbraw/zinc/64/15/72/395641572.db2.gz MVZXHBBAOBJBMI-HNNXBMFYSA-N 2 1 275.396 2.089 20 0 CEADMP CO[C@@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343923 395707111 /nfs/dbraw/zinc/70/71/11/395707111.db2.gz FXCGCNUCTMEIFE-DIECFANBSA-N 2 1 276.424 2.345 20 0 CEADMP c1cc2c(c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c1)OCO2 ZINC000647480939 395720393 /nfs/dbraw/zinc/72/03/93/395720393.db2.gz DYQNUZDMCGHPEV-DZGCQCFKSA-N 2 1 288.391 2.379 20 0 CEADMP c1cc2c(c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c1)OCO2 ZINC000647480939 395720395 /nfs/dbraw/zinc/72/03/95/395720395.db2.gz DYQNUZDMCGHPEV-DZGCQCFKSA-N 2 1 288.391 2.379 20 0 CEADMP CC(C)c1ccc(CC[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647492335 395721088 /nfs/dbraw/zinc/72/10/88/395721088.db2.gz COYRIHYBTVKJAN-UHFFFAOYSA-N 2 1 289.467 2.190 20 0 CEADMP CCc1cccc(Cl)c1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647492515 395721309 /nfs/dbraw/zinc/72/13/09/395721309.db2.gz GUELHQGKLNPFGX-UHFFFAOYSA-N 2 1 295.858 2.239 20 0 CEADMP CCc1cccc(Cl)c1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647492515 395721311 /nfs/dbraw/zinc/72/13/11/395721311.db2.gz GUELHQGKLNPFGX-UHFFFAOYSA-N 2 1 295.858 2.239 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc(OCCOC)c2)CC[C@@H]1[NH3+] ZINC000647498097 395721504 /nfs/dbraw/zinc/72/15/04/395721504.db2.gz ADDMADKJHJTEBC-RDJZCZTQSA-N 2 1 292.423 2.271 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CC[C@H]1[NH3+] ZINC000647497824 395721775 /nfs/dbraw/zinc/72/17/75/395721775.db2.gz WNYGMDRVFVPZCN-SWLSCSKDSA-N 2 1 290.436 2.493 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc3c2NCC3)CC[C@@H]1[NH3+] ZINC000647498338 395722115 /nfs/dbraw/zinc/72/21/15/395722115.db2.gz FNSWQSFQYOHFLD-WFASDCNBSA-N 2 1 259.397 2.214 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)CC[C@H]1[NH3+] ZINC000647498173 395722406 /nfs/dbraw/zinc/72/24/06/395722406.db2.gz CAKYJWHKCYTJDG-UKRRQHHQSA-N 2 1 261.413 2.312 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@](C)(C[NH3+])C2)o1 ZINC000647536676 395728855 /nfs/dbraw/zinc/72/88/55/395728855.db2.gz TWSQUXSZMGXEBP-MRXNPFEDSA-N 2 1 288.395 2.159 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@](C)(C[NH3+])C2)o1 ZINC000647536676 395728857 /nfs/dbraw/zinc/72/88/57/395728857.db2.gz TWSQUXSZMGXEBP-MRXNPFEDSA-N 2 1 288.395 2.159 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N(C)CC[C@H]([NH3+])C(C)C)c2c1C ZINC000647705817 395746982 /nfs/dbraw/zinc/74/69/82/395746982.db2.gz PKNXZIRHBXTUMC-LBPRGKRZSA-N 2 1 275.400 2.384 20 0 CEADMP CN(C)CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(C)(C)C ZINC000647786317 395754525 /nfs/dbraw/zinc/75/45/25/395754525.db2.gz MRLXLXUEMHFFOY-QXSJWSMHSA-N 2 1 281.488 2.331 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798605 395756812 /nfs/dbraw/zinc/75/68/12/395756812.db2.gz UHHVSHVFAJEJMS-KLHDSHLOSA-N 3 1 267.461 2.085 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798605 395756813 /nfs/dbraw/zinc/75/68/13/395756813.db2.gz UHHVSHVFAJEJMS-KLHDSHLOSA-N 3 1 267.461 2.085 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798172 395756953 /nfs/dbraw/zinc/75/69/53/395756953.db2.gz MTNRTAAGVGQQPP-YHUYYLMFSA-N 3 1 267.461 2.085 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798172 395756954 /nfs/dbraw/zinc/75/69/54/395756954.db2.gz MTNRTAAGVGQQPP-YHUYYLMFSA-N 3 1 267.461 2.085 20 0 CEADMP C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000647815456 395759653 /nfs/dbraw/zinc/75/96/53/395759653.db2.gz BLLNQFBNYCZGLN-HNNXBMFYSA-N 2 1 252.402 2.162 20 0 CEADMP C[N@H+]1CC[C@H]2CCN(c3[nH+]ccc4[nH]ccc43)[C@H]2C1 ZINC000647876620 395767467 /nfs/dbraw/zinc/76/74/67/395767467.db2.gz UKJQGVQQVVWMGM-FZMZJTMJSA-N 2 1 256.353 2.093 20 0 CEADMP Fc1cccc(C[N@H+](C[C@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000647882868 395768937 /nfs/dbraw/zinc/76/89/37/395768937.db2.gz JTTUKCWWVKTVPG-RDJZCZTQSA-N 2 1 292.398 2.416 20 0 CEADMP Fc1cccc(C[N@@H+](C[C@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000647882868 395768938 /nfs/dbraw/zinc/76/89/38/395768938.db2.gz JTTUKCWWVKTVPG-RDJZCZTQSA-N 2 1 292.398 2.416 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000647888115 395769724 /nfs/dbraw/zinc/76/97/24/395769724.db2.gz NGIFCQLSTNTULV-TUVASFSCSA-N 2 1 266.429 2.121 20 0 CEADMP Cc1nc(C)c(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)s1 ZINC000647909409 395771517 /nfs/dbraw/zinc/77/15/17/395771517.db2.gz LGJFJWTWPYMPMT-UHFFFAOYSA-N 2 1 297.468 2.085 20 0 CEADMP C[C@H](c1cnccn1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977815 395794114 /nfs/dbraw/zinc/79/41/14/395794114.db2.gz ICGBLLDCVIZXON-KFWWJZLASA-N 2 1 274.412 2.249 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)OCC1CC1 ZINC000647978501 395794141 /nfs/dbraw/zinc/79/41/41/395794141.db2.gz SWGXQAIPDNIMDF-HOTGVXAUSA-N 2 1 266.429 2.125 20 0 CEADMP COCC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978857 395794472 /nfs/dbraw/zinc/79/44/72/395794472.db2.gz ZLEMCBKWWSIVAJ-RRFJBIMHSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H](c1ccsc1)[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647990023 395796456 /nfs/dbraw/zinc/79/64/56/395796456.db2.gz ROQLAICPRCQWSU-UONOGXRCSA-N 2 1 279.453 2.036 20 0 CEADMP C[C@H](c1cccc(F)c1)[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647988434 395796590 /nfs/dbraw/zinc/79/65/90/395796590.db2.gz IYFCQZPMMJNZHM-HUUCEWRRSA-N 2 1 291.414 2.114 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649318551 396120673 /nfs/dbraw/zinc/12/06/73/396120673.db2.gz VRURRKYKLUGMRS-BXUZGUMPSA-N 2 1 297.830 2.186 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](C)CO)C2)s1 ZINC000649603545 396207439 /nfs/dbraw/zinc/20/74/39/396207439.db2.gz SGKJAVLIDGHZCL-ZFWWWQNUSA-N 2 1 296.480 2.439 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](C)CO)C2)s1 ZINC000649603545 396207440 /nfs/dbraw/zinc/20/74/40/396207440.db2.gz SGKJAVLIDGHZCL-ZFWWWQNUSA-N 2 1 296.480 2.439 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](C)CO)C2)s1 ZINC000649603545 396207444 /nfs/dbraw/zinc/20/74/44/396207444.db2.gz SGKJAVLIDGHZCL-ZFWWWQNUSA-N 2 1 296.480 2.439 20 0 CEADMP C[N@H+](CCCC1CC[NH2+]CC1)Cc1nccn1C(F)F ZINC000649411715 396146449 /nfs/dbraw/zinc/14/64/49/396146449.db2.gz XUOLHAXMXVADIS-UHFFFAOYSA-N 2 1 286.370 2.490 20 0 CEADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1nccn1C(F)F ZINC000649411715 396146450 /nfs/dbraw/zinc/14/64/50/396146450.db2.gz XUOLHAXMXVADIS-UHFFFAOYSA-N 2 1 286.370 2.490 20 0 CEADMP Oc1cccc2c(NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)cc[nH+]c12 ZINC000649461040 396160404 /nfs/dbraw/zinc/16/04/04/396160404.db2.gz LVULMRAHERUADW-BETUJISGSA-N 2 1 299.374 2.216 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C[C@H]2CCC[NH+]2C)C1 ZINC000649558937 396189140 /nfs/dbraw/zinc/18/91/40/396189140.db2.gz HXJBZINAUGLPTJ-YYIAUSFCSA-N 2 1 279.472 2.418 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C[C@H]2CCC[N@@H+]2C)C1 ZINC000649558937 396189141 /nfs/dbraw/zinc/18/91/41/396189141.db2.gz HXJBZINAUGLPTJ-YYIAUSFCSA-N 2 1 279.472 2.418 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C[C@H]2CCC[N@H+]2C)C1 ZINC000649558937 396189145 /nfs/dbraw/zinc/18/91/45/396189145.db2.gz HXJBZINAUGLPTJ-YYIAUSFCSA-N 2 1 279.472 2.418 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCCOC1 ZINC000649755361 396250042 /nfs/dbraw/zinc/25/00/42/396250042.db2.gz MDJPSZQPJNNHOD-HNNXBMFYSA-N 2 1 254.418 2.363 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000646052082 396279617 /nfs/dbraw/zinc/27/96/17/396279617.db2.gz ZPAHWQVDFVLXAS-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000646052082 396279618 /nfs/dbraw/zinc/27/96/18/396279618.db2.gz ZPAHWQVDFVLXAS-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000646052082 396279621 /nfs/dbraw/zinc/27/96/21/396279621.db2.gz ZPAHWQVDFVLXAS-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](CC13CCC(CC1)C3)CCO2 ZINC000646106568 396294900 /nfs/dbraw/zinc/29/49/00/396294900.db2.gz AQHGUZPOAAMTEC-UHFFFAOYSA-N 2 1 278.440 2.363 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC[NH+](C)C)o1 ZINC000647167174 396426315 /nfs/dbraw/zinc/42/63/15/396426315.db2.gz VNEQHIYWIOGRBJ-UHFFFAOYSA-N 2 1 276.384 2.030 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnn2CC(C)C)C1 ZINC000647174728 396429712 /nfs/dbraw/zinc/42/97/12/396429712.db2.gz KVRIGAKKGGGHTD-OAHLLOKOSA-N 2 1 278.444 2.361 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccnn2CC(C)C)C1 ZINC000647174728 396429714 /nfs/dbraw/zinc/42/97/14/396429714.db2.gz KVRIGAKKGGGHTD-OAHLLOKOSA-N 2 1 278.444 2.361 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nc1 ZINC000334866589 292100076 /nfs/dbraw/zinc/10/00/76/292100076.db2.gz BIUPGHFXCKLIEU-ZBFHGGJFSA-N 2 1 259.397 2.354 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000037825976 400120466 /nfs/dbraw/zinc/12/04/66/400120466.db2.gz FKWFGBAHVRMPFA-MRXNPFEDSA-N 2 1 297.487 2.330 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CC1CCCC1 ZINC000300071866 400326186 /nfs/dbraw/zinc/32/61/86/400326186.db2.gz FOULAOXSRUCORI-JYJNAYRXSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cnc3ccccn23)[C@H]1CC[NH3+] ZINC000650711353 401001739 /nfs/dbraw/zinc/00/17/39/401001739.db2.gz QQURSVCGYOYXNV-HIFRSBDPSA-N 2 1 272.396 2.284 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)OCC23CCC3)CC[NH2+]1 ZINC000650720533 401010403 /nfs/dbraw/zinc/01/04/03/401010403.db2.gz SGYYZNFLVKSBNC-MGPQQGTHSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)CC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723490 401012164 /nfs/dbraw/zinc/01/21/64/401012164.db2.gz OZVNKZBVTXZGIF-RBSFLKMASA-N 2 1 254.418 2.393 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000358217376 286014457 /nfs/dbraw/zinc/01/44/57/286014457.db2.gz GUZAOEHREAXKMY-CWRNSKLLSA-N 2 1 262.397 2.304 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000360011616 155188136 /nfs/dbraw/zinc/18/81/36/155188136.db2.gz PCHRUPMEBGWGCB-OIISXLGYSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@H](C1CC[NH+](C)CC1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000651466799 401344744 /nfs/dbraw/zinc/34/47/44/401344744.db2.gz RZZAWLSCTUTRMT-ZBFHGGJFSA-N 2 1 266.429 2.219 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651693037 401372892 /nfs/dbraw/zinc/37/28/92/401372892.db2.gz ZVGUFRQGMLWZBA-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651693037 401372894 /nfs/dbraw/zinc/37/28/94/401372894.db2.gz ZVGUFRQGMLWZBA-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000651865683 401405833 /nfs/dbraw/zinc/40/58/33/401405833.db2.gz DJPVIUHPEONEJR-JKSUJKDBSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000651865683 401405836 /nfs/dbraw/zinc/40/58/36/401405836.db2.gz DJPVIUHPEONEJR-JKSUJKDBSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651865683 401405838 /nfs/dbraw/zinc/40/58/38/401405838.db2.gz DJPVIUHPEONEJR-JKSUJKDBSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000651865683 401405841 /nfs/dbraw/zinc/40/58/41/401405841.db2.gz DJPVIUHPEONEJR-JKSUJKDBSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000651865683 401405843 /nfs/dbraw/zinc/40/58/43/401405843.db2.gz DJPVIUHPEONEJR-JKSUJKDBSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000651865683 401405846 /nfs/dbraw/zinc/40/58/46/401405846.db2.gz DJPVIUHPEONEJR-JKSUJKDBSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651865683 401405848 /nfs/dbraw/zinc/40/58/48/401405848.db2.gz DJPVIUHPEONEJR-JKSUJKDBSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000651866063 401406072 /nfs/dbraw/zinc/40/60/72/401406072.db2.gz SQPYESBIIDPFQU-CABCVRRESA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000651866063 401406074 /nfs/dbraw/zinc/40/60/74/401406074.db2.gz SQPYESBIIDPFQU-CABCVRRESA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000651866063 401406078 /nfs/dbraw/zinc/40/60/78/401406078.db2.gz SQPYESBIIDPFQU-CABCVRRESA-N 2 1 267.461 2.179 20 0 CEADMP COCCCCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348654 401491790 /nfs/dbraw/zinc/49/17/90/401491790.db2.gz MBOFXNVUMNWZEK-JYJNAYRXSA-N 2 1 284.444 2.021 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000652358485 401493268 /nfs/dbraw/zinc/49/32/68/401493268.db2.gz JMDBMPGXINHTKQ-OAHLLOKOSA-N 2 1 280.387 2.198 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC000652355613 401493336 /nfs/dbraw/zinc/49/33/36/401493336.db2.gz BCDLGGFZFOLHNO-GDBMZVCRSA-N 3 1 267.461 2.216 20 0 CEADMP CCCCOCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361634 401494492 /nfs/dbraw/zinc/49/44/92/401494492.db2.gz LFSMMPZPSACIHO-XHSDSOJGSA-N 2 1 284.444 2.164 20 0 CEADMP COCCCCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363152 401494913 /nfs/dbraw/zinc/49/49/13/401494913.db2.gz YZNQDDTUKJNQAX-BZUAXINKSA-N 2 1 284.444 2.164 20 0 CEADMP CCc1cnc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000652364060 401494982 /nfs/dbraw/zinc/49/49/82/401494982.db2.gz WHAMCMWOOUFVSX-NWANDNLSSA-N 2 1 293.411 2.098 20 0 CEADMP CCc1cnc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000652364060 401494987 /nfs/dbraw/zinc/49/49/87/401494987.db2.gz WHAMCMWOOUFVSX-NWANDNLSSA-N 2 1 293.411 2.098 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000360224075 155245909 /nfs/dbraw/zinc/24/59/09/155245909.db2.gz GAKXETSEVSCKPO-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000360239713 155248169 /nfs/dbraw/zinc/24/81/69/155248169.db2.gz RWWYZVVJNKYOBZ-DZGCQCFKSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(OC)c1 ZINC000360244074 155251785 /nfs/dbraw/zinc/25/17/85/155251785.db2.gz ZFDCCBVZNQSUAY-DOTOQJQBSA-N 2 1 292.423 2.193 20 0 CEADMP COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000360541850 155325257 /nfs/dbraw/zinc/32/52/57/155325257.db2.gz HRIFHBGTBAQLQT-DZGCQCFKSA-N 2 1 293.411 2.245 20 0 CEADMP COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000360541850 155325259 /nfs/dbraw/zinc/32/52/59/155325259.db2.gz HRIFHBGTBAQLQT-DZGCQCFKSA-N 2 1 293.411 2.245 20 0 CEADMP CCOC(=O)C[C@@](C)([NH2+]CCn1cc[nH+]c1C)C(C)C ZINC000360670449 155349200 /nfs/dbraw/zinc/34/92/00/155349200.db2.gz WRCHMLWKJOMVNR-OAHLLOKOSA-N 2 1 281.400 2.149 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N(C)CC)nc2)C1 ZINC000190853320 153146866 /nfs/dbraw/zinc/14/68/66/153146866.db2.gz DWGCCPUXGBYEOC-MRXNPFEDSA-N 2 1 290.455 2.359 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N(C)CC)nc2)C1 ZINC000190853320 153146869 /nfs/dbraw/zinc/14/68/69/153146869.db2.gz DWGCCPUXGBYEOC-MRXNPFEDSA-N 2 1 290.455 2.359 20 0 CEADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nccs1 ZINC000193284976 153232073 /nfs/dbraw/zinc/23/20/73/153232073.db2.gz UITIZBGSRDOQRT-WODVXLOZSA-N 2 1 265.426 2.461 20 0 CEADMP Cc1ccccc1OCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193621729 153238284 /nfs/dbraw/zinc/23/82/84/153238284.db2.gz ZNSNACYHAAZCMY-IYBDPMFKSA-N 2 1 274.408 2.257 20 0 CEADMP Cc1ccccc1OCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193621729 153238288 /nfs/dbraw/zinc/23/82/88/153238288.db2.gz ZNSNACYHAAZCMY-IYBDPMFKSA-N 2 1 274.408 2.257 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193621729 153238292 /nfs/dbraw/zinc/23/82/92/153238292.db2.gz ZNSNACYHAAZCMY-IYBDPMFKSA-N 2 1 274.408 2.257 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](CCc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC000193653394 153238586 /nfs/dbraw/zinc/23/85/86/153238586.db2.gz VARSGQWSHZGTRI-BETUJISGSA-N 2 1 266.335 2.001 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CCc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC000193653394 153238591 /nfs/dbraw/zinc/23/85/91/153238591.db2.gz VARSGQWSHZGTRI-BETUJISGSA-N 2 1 266.335 2.001 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC000193653394 153238595 /nfs/dbraw/zinc/23/85/95/153238595.db2.gz VARSGQWSHZGTRI-BETUJISGSA-N 2 1 266.335 2.001 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC000193653394 153238599 /nfs/dbraw/zinc/23/85/99/153238599.db2.gz VARSGQWSHZGTRI-BETUJISGSA-N 2 1 266.335 2.001 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000219499933 153303437 /nfs/dbraw/zinc/30/34/37/153303437.db2.gz JLYQRXYFERWKDS-AWEZNQCLSA-N 2 1 254.418 2.410 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000219499933 153303441 /nfs/dbraw/zinc/30/34/41/153303441.db2.gz JLYQRXYFERWKDS-AWEZNQCLSA-N 2 1 254.418 2.410 20 0 CEADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C1CCOCC1 ZINC000223842519 153322531 /nfs/dbraw/zinc/32/25/31/153322531.db2.gz LWYZQYTZVXFPPI-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[C@H](C[NH2+]C[C@@H]1CCSC1)[NH+]1CCCC1 ZINC000224307511 153323419 /nfs/dbraw/zinc/32/34/19/153323419.db2.gz ZHRHUUUSQJDTSH-KBPBESRZSA-N 2 1 256.459 2.450 20 0 CEADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]2CCO[C@H]21 ZINC000227069428 153339828 /nfs/dbraw/zinc/33/98/28/153339828.db2.gz UCYUEIDKNHHYCD-RRFJBIMHSA-N 2 1 264.413 2.016 20 0 CEADMP CC(C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000352732326 154331844 /nfs/dbraw/zinc/33/18/44/154331844.db2.gz ZCSIHGRYTOXODK-DZGCQCFKSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1cnn(C)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000352774351 154335718 /nfs/dbraw/zinc/33/57/18/154335718.db2.gz XBGSEKYQVMNCMK-UHFFFAOYSA-N 2 1 264.417 2.081 20 0 CEADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCOCC[NH3+])C1 ZINC000357077064 154372245 /nfs/dbraw/zinc/37/22/45/154372245.db2.gz JITMKHKRSIQDON-DOMZBBRYSA-N 2 1 266.360 2.184 20 0 CEADMP COc1ccc(C[C@H](C)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000359472106 155025995 /nfs/dbraw/zinc/02/59/95/155025995.db2.gz KMPSVSDXSNGVKH-AEGPPILISA-N 2 1 292.398 2.164 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000359625600 155088115 /nfs/dbraw/zinc/08/81/15/155088115.db2.gz NNHUCTKRFJSYCS-MRXNPFEDSA-N 2 1 291.370 2.434 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000359777222 155127353 /nfs/dbraw/zinc/12/73/53/155127353.db2.gz GCWHQXZEFFKXOE-VGWMRTNUSA-N 2 1 297.487 2.484 20 0 CEADMP C[C@@H](c1ccccc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363218297 156012956 /nfs/dbraw/zinc/01/29/56/156012956.db2.gz HLOAKRNKNCPULM-WMZOPIPTSA-N 2 1 287.451 2.459 20 0 CEADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000367593597 156211164 /nfs/dbraw/zinc/21/11/64/156211164.db2.gz HWOSJLWPKFGMFX-GVDBMIGSSA-N 2 1 273.424 2.395 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367609927 156211922 /nfs/dbraw/zinc/21/19/22/156211922.db2.gz YPJHNGJTSREHJE-UKRRQHHQSA-N 2 1 276.428 2.497 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367609927 156211925 /nfs/dbraw/zinc/21/19/25/156211925.db2.gz YPJHNGJTSREHJE-UKRRQHHQSA-N 2 1 276.428 2.497 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(O)c2)[C@@H]2CCC[C@H]21 ZINC000367599151 156213895 /nfs/dbraw/zinc/21/38/95/156213895.db2.gz GRTORPLBEGCJHO-HRCADAONSA-N 2 1 260.381 2.355 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367599574 156214079 /nfs/dbraw/zinc/21/40/79/156214079.db2.gz WLWBFTIHVPSWLG-ZJPYXAASSA-N 2 1 288.435 2.491 20 0 CEADMP C[N@H+]1CC[C@H](NCCC[NH+]2CCCCC2)[C@H]2CCC[C@H]21 ZINC000367612893 156215583 /nfs/dbraw/zinc/21/55/83/156215583.db2.gz BRERMVSOKYKDHZ-IXDOHACOSA-N 2 1 279.472 2.325 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@H]2CCC[C@H]21 ZINC000367612893 156215585 /nfs/dbraw/zinc/21/55/85/156215585.db2.gz BRERMVSOKYKDHZ-IXDOHACOSA-N 3 1 279.472 2.325 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@H]2CCC[C@H]21 ZINC000367612893 156215586 /nfs/dbraw/zinc/21/55/86/156215586.db2.gz BRERMVSOKYKDHZ-IXDOHACOSA-N 3 1 279.472 2.325 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2O)[C@H]2CCC[C@H]21 ZINC000367625749 156216249 /nfs/dbraw/zinc/21/62/49/156216249.db2.gz YRCOYGUKCBGPLP-OWCLPIDISA-N 2 1 274.408 2.397 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccccn2)[C@H]2CCC[C@H]21 ZINC000367617991 156216883 /nfs/dbraw/zinc/21/68/83/156216883.db2.gz OCUNSARNMSIYFU-IXDOHACOSA-N 2 1 273.424 2.477 20 0 CEADMP Cc1csc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000367613235 156218111 /nfs/dbraw/zinc/21/81/11/156218111.db2.gz BYYOAWNEDWJKRS-YNEHKIRRSA-N 2 1 265.426 2.414 20 0 CEADMP Cc1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000367613235 156218112 /nfs/dbraw/zinc/21/81/12/156218112.db2.gz BYYOAWNEDWJKRS-YNEHKIRRSA-N 2 1 265.426 2.414 20 0 CEADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC000367677628 156224483 /nfs/dbraw/zinc/22/44/83/156224483.db2.gz FUXDUXKLLVQVJF-MRXNPFEDSA-N 2 1 281.488 2.382 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368313527 156320167 /nfs/dbraw/zinc/32/01/67/156320167.db2.gz DDTIHCIPIILSRN-IAGOWNOFSA-N 2 1 292.398 2.195 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368313527 156320169 /nfs/dbraw/zinc/32/01/69/156320169.db2.gz DDTIHCIPIILSRN-IAGOWNOFSA-N 2 1 292.398 2.195 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368313527 156320172 /nfs/dbraw/zinc/32/01/72/156320172.db2.gz DDTIHCIPIILSRN-IAGOWNOFSA-N 2 1 292.398 2.195 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368313527 156320174 /nfs/dbraw/zinc/32/01/74/156320174.db2.gz DDTIHCIPIILSRN-IAGOWNOFSA-N 2 1 292.398 2.195 20 0 CEADMP CC(C)[C@@H](O)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000368394582 156339070 /nfs/dbraw/zinc/33/90/70/156339070.db2.gz WCYTUAHJQSXRIB-ZBFHGGJFSA-N 2 1 280.456 2.200 20 0 CEADMP CC[C@H](O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374845742 157018836 /nfs/dbraw/zinc/01/88/36/157018836.db2.gz MZSSYDJTHJQPEQ-INIZCTEOSA-N 2 1 277.412 2.001 20 0 CEADMP COCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374880748 157023867 /nfs/dbraw/zinc/02/38/67/157023867.db2.gz MPNCSKHESLCRLU-ZBFHGGJFSA-N 2 1 262.397 2.133 20 0 CEADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000375084614 157051342 /nfs/dbraw/zinc/05/13/42/157051342.db2.gz NAHWMXJVOQQZJO-CQSZACIVSA-N 2 1 276.380 2.270 20 0 CEADMP CC[C@@](C)(O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000375246648 157066249 /nfs/dbraw/zinc/06/62/49/157066249.db2.gz XENSONVTTMJKNN-QGZVFWFLSA-N 2 1 291.439 2.391 20 0 CEADMP CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCC[NH+]4CCCCC4)[C@H]1[C@H]3C2 ZINC000375746196 157134791 /nfs/dbraw/zinc/13/47/91/157134791.db2.gz XLXLCGLRLUTTIC-QUSNUVHPSA-N 2 1 278.440 2.218 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCCO)[C@H]2CCC[C@@H]21 ZINC000375802785 157144453 /nfs/dbraw/zinc/14/44/53/157144453.db2.gz WORXUGZRISKBRG-ILXRZTDVSA-N 2 1 268.445 2.248 20 0 CEADMP Fc1ccccc1N1CCC[N@@H+](CCn2ccnc2)CC1 ZINC000375848945 157153135 /nfs/dbraw/zinc/15/31/35/157153135.db2.gz FOCVTTRKXHHTTK-UHFFFAOYSA-N 2 1 288.370 2.235 20 0 CEADMP CC(C)OCCC[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000375928986 157162883 /nfs/dbraw/zinc/16/28/83/157162883.db2.gz BKXSVBZWWBLPJS-AWEZNQCLSA-N 2 1 265.401 2.415 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000376097896 157185425 /nfs/dbraw/zinc/18/54/25/157185425.db2.gz OUZRPSHCDGISKK-INIZCTEOSA-N 2 1 278.444 2.388 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000376097896 157185428 /nfs/dbraw/zinc/18/54/28/157185428.db2.gz OUZRPSHCDGISKK-INIZCTEOSA-N 3 1 278.444 2.388 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000376097896 157185434 /nfs/dbraw/zinc/18/54/34/157185434.db2.gz OUZRPSHCDGISKK-INIZCTEOSA-N 3 1 278.444 2.388 20 0 CEADMP CCCCOCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000160201070 162324559 /nfs/dbraw/zinc/32/45/59/162324559.db2.gz VLJOMJLDPWDSRI-GOOCMWNKSA-N 2 1 254.418 2.408 20 0 CEADMP CCN(C(=O)[C@H](C)[NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000165946525 162346887 /nfs/dbraw/zinc/34/68/87/162346887.db2.gz WEQPAGPCIQENBD-DZKIICNBSA-N 2 1 289.423 2.018 20 0 CEADMP Cc1nn(C)c(C)c1CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000173951526 165090088 /nfs/dbraw/zinc/09/00/88/165090088.db2.gz DMJGLUWKJRDKBE-OAHLLOKOSA-N 2 1 278.444 2.343 20 0 CEADMP C[C@@H]1CSC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000310206758 297188113 /nfs/dbraw/zinc/18/81/13/297188113.db2.gz CZLIAYUNPSPWMK-JWURUJNWSA-N 2 1 254.443 2.343 20 0 CEADMP C[C@@H]1CSC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000310206758 297188114 /nfs/dbraw/zinc/18/81/14/297188114.db2.gz CZLIAYUNPSPWMK-JWURUJNWSA-N 2 1 254.443 2.343 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237669127 287266346 /nfs/dbraw/zinc/26/63/46/287266346.db2.gz WEAITISZTQWBAX-WBVHZDCISA-N 2 1 295.471 2.147 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1c(C)nc2ccccn21 ZINC000037210931 173032790 /nfs/dbraw/zinc/03/27/90/173032790.db2.gz MVOKFLMPSYVPOS-UHFFFAOYSA-N 2 1 274.412 2.464 20 0 CEADMP C[N@@H+](CCSc1ccccc1)C1CC[NH2+]CC1 ZINC000038078696 174088812 /nfs/dbraw/zinc/08/88/12/174088812.db2.gz PLDJELUSYUGQSF-UHFFFAOYSA-N 2 1 250.411 2.463 20 0 CEADMP CC(C)O[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000404647857 414788931 /nfs/dbraw/zinc/78/89/31/414788931.db2.gz PDIQWUHURPGNSP-GJZGRUSLSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+](CCCNC(=O)CCC(C)(C)[NH3+])C1CCCCC1 ZINC000070087845 414765290 /nfs/dbraw/zinc/76/52/90/414765290.db2.gz WWIHEAZRTNVIRB-UHFFFAOYSA-N 2 1 283.460 2.275 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H](CC)CO1 ZINC000403788019 414767289 /nfs/dbraw/zinc/76/72/89/414767289.db2.gz HTSIDPSVJPZVEV-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000404047934 414770997 /nfs/dbraw/zinc/77/09/97/414770997.db2.gz IEFKSTBKKJVKEA-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2)[C@@H]1CC[NH3+] ZINC000404301573 414778296 /nfs/dbraw/zinc/77/82/96/414778296.db2.gz GIOOAMCLKDCPGJ-UKRRQHHQSA-N 2 1 275.396 2.074 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2)[C@@H]1CC[NH3+] ZINC000404301573 414778300 /nfs/dbraw/zinc/77/83/00/414778300.db2.gz GIOOAMCLKDCPGJ-UKRRQHHQSA-N 2 1 275.396 2.074 20 0 CEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660371250 414787913 /nfs/dbraw/zinc/78/79/13/414787913.db2.gz OWQKLLWXGWNILW-CABCVRRESA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000660371250 414787917 /nfs/dbraw/zinc/78/79/17/414787917.db2.gz OWQKLLWXGWNILW-CABCVRRESA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660371250 414787922 /nfs/dbraw/zinc/78/79/22/414787922.db2.gz OWQKLLWXGWNILW-CABCVRRESA-N 2 1 256.434 2.056 20 0 CEADMP C[NH2+]CCC[N@H+](C)CCOc1cc(C)cc(C)c1 ZINC000124932081 414796055 /nfs/dbraw/zinc/79/60/55/414796055.db2.gz PTMRTUPNYVQQSL-UHFFFAOYSA-N 2 1 250.386 2.224 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCOc1cc(C)cc(C)c1 ZINC000124932081 414796061 /nfs/dbraw/zinc/79/60/61/414796061.db2.gz PTMRTUPNYVQQSL-UHFFFAOYSA-N 2 1 250.386 2.224 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000657179371 414797608 /nfs/dbraw/zinc/79/76/08/414797608.db2.gz XJKNLEGUXXNHTF-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP c1cc(O[C@H]2CCOC2)ccc1CNCC[NH+]1CCCC1 ZINC000657292506 414837158 /nfs/dbraw/zinc/83/71/58/414837158.db2.gz PMSADEVNUUFSCA-KRWDZBQOSA-N 2 1 290.407 2.040 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C12CCCC2 ZINC000660526177 414859105 /nfs/dbraw/zinc/85/91/05/414859105.db2.gz PTOXLLYRXXYEEE-HRCADAONSA-N 2 1 298.471 2.015 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653110762 414908232 /nfs/dbraw/zinc/90/82/32/414908232.db2.gz TVVNYURIMDIHDE-CVEARBPZSA-N 2 1 295.471 2.147 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1ccncc1)C2 ZINC000660654694 414918754 /nfs/dbraw/zinc/91/87/54/414918754.db2.gz HWAGXXXDZZCNGO-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1ccncc1)C2 ZINC000660654694 414918757 /nfs/dbraw/zinc/91/87/57/414918757.db2.gz HWAGXXXDZZCNGO-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1ccncc1)C2 ZINC000660654694 414918760 /nfs/dbraw/zinc/91/87/60/414918760.db2.gz HWAGXXXDZZCNGO-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP FCCOCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000663340275 414919179 /nfs/dbraw/zinc/91/91/79/414919179.db2.gz BMIJUPZNCZVHSR-UHFFFAOYSA-N 2 1 294.414 2.269 20 0 CEADMP COCC[NH+](CCOC)C1CC[NH+](CC2CC=CC2)CC1 ZINC000660544766 414868560 /nfs/dbraw/zinc/86/85/60/414868560.db2.gz OVQQITLZBABRTM-UHFFFAOYSA-N 2 1 296.455 2.012 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000663186781 414882400 /nfs/dbraw/zinc/88/24/00/414882400.db2.gz AAMHVRLZTCYUBP-CHWSQXEVSA-N 2 1 276.428 2.040 20 0 CEADMP COCc1csc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000657376567 414897150 /nfs/dbraw/zinc/89/71/50/414897150.db2.gz SEPRPHPDSHNBRQ-YPMHNXCESA-N 2 1 268.426 2.467 20 0 CEADMP COCc1csc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000657376567 414897155 /nfs/dbraw/zinc/89/71/55/414897155.db2.gz SEPRPHPDSHNBRQ-YPMHNXCESA-N 2 1 268.426 2.467 20 0 CEADMP C[NH2+]C[C@H](C)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000663509320 414977094 /nfs/dbraw/zinc/97/70/94/414977094.db2.gz IZBJFIZYNSHISF-LZWOXQAQSA-N 2 1 261.413 2.019 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000663514869 414979775 /nfs/dbraw/zinc/97/97/75/414979775.db2.gz VBLPGJKOQGFVEP-OAGGEKHMSA-N 2 1 266.429 2.252 20 0 CEADMP CC[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657563401 415001552 /nfs/dbraw/zinc/00/15/52/415001552.db2.gz SWKVLBFLDAJTRW-BZUAXINKSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000653200462 414945913 /nfs/dbraw/zinc/94/59/13/414945913.db2.gz FPIBAOGREVJWRL-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCCO1 ZINC000663466898 414963116 /nfs/dbraw/zinc/96/31/16/414963116.db2.gz YGBWGBIRMFNVKY-CWRNSKLLSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657694019 415049827 /nfs/dbraw/zinc/04/98/27/415049827.db2.gz JKPIKHZKEFZNQV-YESZJQIVSA-N 2 1 279.472 2.323 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000653608872 415051525 /nfs/dbraw/zinc/05/15/25/415051525.db2.gz LHILXGZYNDMQTE-CABCVRRESA-N 2 1 279.428 2.082 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000653608872 415051528 /nfs/dbraw/zinc/05/15/28/415051528.db2.gz LHILXGZYNDMQTE-CABCVRRESA-N 2 1 279.428 2.082 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCOCC2(CCCC2)C1 ZINC000653622717 415058353 /nfs/dbraw/zinc/05/83/53/415058353.db2.gz PWXSACAQRHLNLT-UHFFFAOYSA-N 2 1 277.412 2.245 20 0 CEADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H](C)Cc1ccsc1 ZINC000653625780 415058787 /nfs/dbraw/zinc/05/87/87/415058787.db2.gz RJTPVPNBDDCXPT-DZGCQCFKSA-N 2 1 284.469 2.314 20 0 CEADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H](C)Cc1ccsc1 ZINC000653625780 415058790 /nfs/dbraw/zinc/05/87/90/415058790.db2.gz RJTPVPNBDDCXPT-DZGCQCFKSA-N 2 1 284.469 2.314 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000653625780 415058793 /nfs/dbraw/zinc/05/87/93/415058793.db2.gz RJTPVPNBDDCXPT-DZGCQCFKSA-N 2 1 284.469 2.314 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000653625780 415058798 /nfs/dbraw/zinc/05/87/98/415058798.db2.gz RJTPVPNBDDCXPT-DZGCQCFKSA-N 2 1 284.469 2.314 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCOC1(C)C ZINC000657785010 415078110 /nfs/dbraw/zinc/07/81/10/415078110.db2.gz BTMXUGGRJXPACS-CYBMUJFWSA-N 2 1 263.385 2.052 20 0 CEADMP C[C@H](CNc1[nH+]ccc2c(N)cccc21)C[NH+](C)C ZINC000663932840 415092625 /nfs/dbraw/zinc/09/26/25/415092625.db2.gz ZQMJRMZHLYZCFZ-LLVKDONJSA-N 2 1 258.369 2.427 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@H]2CCCn3nccc32)CC1 ZINC000657823130 415094878 /nfs/dbraw/zinc/09/48/78/415094878.db2.gz AADIUHPTTXYZPH-HNNXBMFYSA-N 2 1 276.428 2.430 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(c2[nH+]ccc3[nH]ccc32)C[C@@H]1C ZINC000663759957 415041008 /nfs/dbraw/zinc/04/10/08/415041008.db2.gz OSXQIKTWMGHNCW-NWDGAFQWSA-N 2 1 258.369 2.482 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)O1 ZINC000657667692 415042375 /nfs/dbraw/zinc/04/23/75/415042375.db2.gz BLZZYEYZBAPBGP-KBUPBQIOSA-N 2 1 252.402 2.160 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657834383 415099063 /nfs/dbraw/zinc/09/90/63/415099063.db2.gz OAXLQHRNSNMEEM-ILXRZTDVSA-N 2 1 268.445 2.369 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000653777837 415103023 /nfs/dbraw/zinc/10/30/23/415103023.db2.gz XNEQCHGFPYIEME-PMPSAXMXSA-N 2 1 282.472 2.447 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000653777837 415103027 /nfs/dbraw/zinc/10/30/27/415103027.db2.gz XNEQCHGFPYIEME-PMPSAXMXSA-N 2 1 282.472 2.447 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000653777837 415103031 /nfs/dbraw/zinc/10/30/31/415103031.db2.gz XNEQCHGFPYIEME-PMPSAXMXSA-N 2 1 282.472 2.447 20 0 CEADMP Cc1cc(CO)cc(NC2CCC([NH+](C)C)CC2)[nH+]1 ZINC000664028748 415128614 /nfs/dbraw/zinc/12/86/14/415128614.db2.gz XXPUQALUPGSGNQ-UHFFFAOYSA-N 2 1 263.385 2.167 20 0 CEADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000657974348 415140148 /nfs/dbraw/zinc/14/01/48/415140148.db2.gz ODPQZDRKIDNMMY-CVEARBPZSA-N 2 1 296.842 2.317 20 0 CEADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000657974348 415140152 /nfs/dbraw/zinc/14/01/52/415140152.db2.gz ODPQZDRKIDNMMY-CVEARBPZSA-N 2 1 296.842 2.317 20 0 CEADMP CC[N@@H+](CCC[NH2+][C@H](C)Cn1cncn1)C1CCCCC1 ZINC000658042477 415170434 /nfs/dbraw/zinc/17/04/34/415170434.db2.gz FGGRJEIXWSQDAZ-OAHLLOKOSA-N 2 1 293.459 2.301 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cnn(C)c1 ZINC000044499631 175185351 /nfs/dbraw/zinc/18/53/51/175185351.db2.gz JCDQDXYPWDDZGC-LBPRGKRZSA-N 2 1 264.417 2.334 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655351907 415205437 /nfs/dbraw/zinc/20/54/37/415205437.db2.gz VBYPWNJMNMCQLE-QLFBSQMISA-N 2 1 295.471 2.286 20 0 CEADMP C[N@@H+](CC(=O)Nc1ccc(C[NH3+])cc1)CC(C)(C)C ZINC000045068441 175299927 /nfs/dbraw/zinc/29/99/27/175299927.db2.gz ZAGRBCDYCKYZQY-UHFFFAOYSA-N 2 1 263.385 2.062 20 0 CEADMP C[C@H]1CCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)O1 ZINC000658216288 415259602 /nfs/dbraw/zinc/25/96/02/415259602.db2.gz QDQSKOWLZDPZKL-SWLSCSKDSA-N 2 1 252.402 2.160 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C/C=C/CO)cc1 ZINC000658136803 415228520 /nfs/dbraw/zinc/22/85/20/415228520.db2.gz YEQAPPWHFXFHTP-ITDFMYJTSA-N 2 1 271.364 2.380 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000658354938 415337510 /nfs/dbraw/zinc/33/75/10/415337510.db2.gz GKBYQUKBYLUZQR-MAUKXSAKSA-N 3 1 293.499 2.428 20 0 CEADMP CCN1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000658354938 415337515 /nfs/dbraw/zinc/33/75/15/415337515.db2.gz GKBYQUKBYLUZQR-MAUKXSAKSA-N 2 1 293.499 2.428 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000655695292 415393044 /nfs/dbraw/zinc/39/30/44/415393044.db2.gz WJZATRSABPUVHT-IHRRRGAJSA-N 2 1 260.385 2.062 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655695292 415393049 /nfs/dbraw/zinc/39/30/49/415393049.db2.gz WJZATRSABPUVHT-IHRRRGAJSA-N 2 1 260.385 2.062 20 0 CEADMP CCC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCOCC1 ZINC000655719106 415407169 /nfs/dbraw/zinc/40/71/69/415407169.db2.gz QJKOQMQBYKQLTE-MRXNPFEDSA-N 2 1 296.455 2.036 20 0 CEADMP CCOCCC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655736575 415422188 /nfs/dbraw/zinc/42/21/88/415422188.db2.gz FEGYKCXSDLUTIH-MRXNPFEDSA-N 2 1 296.455 2.036 20 0 CEADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+]CCC[NH+]1CCC1 ZINC000655753939 415435384 /nfs/dbraw/zinc/43/53/84/415435384.db2.gz GEOZUAAESQVWDT-CQSZACIVSA-N 2 1 260.381 2.238 20 0 CEADMP COCC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000655764157 415444957 /nfs/dbraw/zinc/44/49/57/415444957.db2.gz WVBMVODLISOAIL-MRXNPFEDSA-N 2 1 296.455 2.036 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCCSC1 ZINC000655768620 415448780 /nfs/dbraw/zinc/44/87/80/415448780.db2.gz KMWUNBUGUPRQCT-GDBMZVCRSA-N 2 1 298.496 2.363 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)CC1 ZINC000655838551 415511181 /nfs/dbraw/zinc/51/11/81/415511181.db2.gz CVAFDJDHQGDAKX-HDJSIYSDSA-N 2 1 254.418 2.406 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CCCC2=O)CC1 ZINC000661960550 415542978 /nfs/dbraw/zinc/54/29/78/415542978.db2.gz SWZBVXYBPFHPPG-UHFFFAOYSA-N 2 1 275.396 2.417 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2noc3ccccc32)C1 ZINC000655938156 415558188 /nfs/dbraw/zinc/55/81/88/415558188.db2.gz OCAZHXZVZSAQCR-CHWSQXEVSA-N 2 1 273.380 2.430 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCc1noc2ccccc12 ZINC000655941382 415559046 /nfs/dbraw/zinc/55/90/46/415559046.db2.gz SBWBHFZAUYTKAV-BFQNTYOBSA-N 2 1 273.380 2.346 20 0 CEADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000656194923 415628973 /nfs/dbraw/zinc/62/89/73/415628973.db2.gz UVWRBKFQZGPHTP-SCRDCRAPSA-N 2 1 276.380 2.106 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)CCC1 ZINC000665219620 415629301 /nfs/dbraw/zinc/62/93/01/415629301.db2.gz WXLYLMXWCAMSGN-STQMWFEESA-N 2 1 265.401 2.375 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1nnc2n1CCCCC2 ZINC000656197523 415634257 /nfs/dbraw/zinc/63/42/57/415634257.db2.gz PXGPZBWHJCQKLY-MJBXVCDLSA-N 2 1 291.443 2.315 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC(c2ccon2)CC1 ZINC000662048541 415598579 /nfs/dbraw/zinc/59/85/79/415598579.db2.gz ZBDGUBCAKNDNQT-AWEZNQCLSA-N 2 1 263.385 2.338 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccon2)CC1 ZINC000662048541 415598580 /nfs/dbraw/zinc/59/85/80/415598580.db2.gz ZBDGUBCAKNDNQT-AWEZNQCLSA-N 2 1 263.385 2.338 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccon2)CC1 ZINC000662048541 415598583 /nfs/dbraw/zinc/59/85/83/415598583.db2.gz ZBDGUBCAKNDNQT-AWEZNQCLSA-N 2 1 263.385 2.338 20 0 CEADMP C[C@H]([NH2+][C@H]1COc2cc(F)ccc2C1)c1c[nH+]ccc1N ZINC000665266673 415659116 /nfs/dbraw/zinc/65/91/16/415659116.db2.gz HHJYPNANRBQLGE-GXFFZTMASA-N 2 1 287.338 2.288 20 0 CEADMP Cc1cncc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000665273876 415663523 /nfs/dbraw/zinc/66/35/23/415663523.db2.gz GAVCGWOMZXVGFN-FUHWJXTLSA-N 2 1 296.418 2.410 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000665273645 415663907 /nfs/dbraw/zinc/66/39/07/415663907.db2.gz APRZAXJZTYCYSD-HYVNUMGLSA-N 2 1 275.440 2.019 20 0 CEADMP Cc1ccc(C)c([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000665291022 415680186 /nfs/dbraw/zinc/68/01/86/415680186.db2.gz RTBZKXGYLUCGMT-LBPRGKRZSA-N 2 1 286.379 2.109 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000665297365 415686446 /nfs/dbraw/zinc/68/64/46/415686446.db2.gz DRPFMJRLDNYMJD-UAXWRAGISA-N 2 1 262.397 2.385 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299975 415687556 /nfs/dbraw/zinc/68/75/56/415687556.db2.gz VWIDKRLKAAUVHF-GOEBONIOSA-N 3 1 267.461 2.216 20 0 CEADMP CCCC[NH+]1CCC([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000071138683 176036844 /nfs/dbraw/zinc/03/68/44/176036844.db2.gz LANYAEAHMIZGMK-UHFFFAOYSA-N 2 1 289.423 2.140 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000071146570 176042821 /nfs/dbraw/zinc/04/28/21/176042821.db2.gz OIVAKPOHNNIYGP-LBPRGKRZSA-N 2 1 295.814 2.210 20 0 CEADMP C[N@@H+](CCNC(=O)C[C@H]([NH3+])c1ccccc1)C1CCCC1 ZINC000071378674 176143485 /nfs/dbraw/zinc/14/34/85/176143485.db2.gz PHIXJZZFABBQCC-INIZCTEOSA-N 2 1 289.423 2.067 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]2CCCC[C@H]12 ZINC000662253882 415720786 /nfs/dbraw/zinc/72/07/86/415720786.db2.gz XXKXSZLVTICDRT-QXSJWSMHSA-N 2 1 278.440 2.408 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257166 415723302 /nfs/dbraw/zinc/72/33/02/415723302.db2.gz QIOWONLQQVWCAN-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP c1cc(C[N@@H+]2CCNCC23CCCCC3)c2c(c1)C[NH2+]CC2 ZINC000662263869 415728277 /nfs/dbraw/zinc/72/82/77/415728277.db2.gz GGARRDAIMWYXPV-UHFFFAOYSA-N 2 1 299.462 2.440 20 0 CEADMP c1cc(C[N@H+]2CCNCC23CCCCC3)c2c(c1)C[NH2+]CC2 ZINC000662263869 415728281 /nfs/dbraw/zinc/72/82/81/415728281.db2.gz GGARRDAIMWYXPV-UHFFFAOYSA-N 2 1 299.462 2.440 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000659848061 415729909 /nfs/dbraw/zinc/72/99/09/415729909.db2.gz WLDJGMXLVKQXNQ-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C1CCCC1 ZINC000662266329 415730754 /nfs/dbraw/zinc/73/07/54/415730754.db2.gz LZSVSVKUWOSCSF-CAOSSQGBSA-N 2 1 266.429 2.251 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC000662245087 415707328 /nfs/dbraw/zinc/70/73/28/415707328.db2.gz HPKBXMRJQGNRAG-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[N@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249955 415709656 /nfs/dbraw/zinc/70/96/56/415709656.db2.gz WHXPWDMVPMCJSV-INIZCTEOSA-N 2 1 274.408 2.420 20 0 CEADMP c1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248418 415710025 /nfs/dbraw/zinc/71/00/25/415710025.db2.gz AXKIRVNTUVHEFC-CVEARBPZSA-N 2 1 272.392 2.345 20 0 CEADMP CC(C)[C@@H]([NH3+])c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656456170 415715199 /nfs/dbraw/zinc/71/51/99/415715199.db2.gz SFZQMERTORMZCB-NVXWUHKLSA-N 2 1 299.422 2.381 20 0 CEADMP [NH3+]CC1(O)CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000071645489 176240002 /nfs/dbraw/zinc/24/00/02/176240002.db2.gz NNHVOQSBNSGSBM-UHFFFAOYSA-N 2 1 289.206 2.279 20 0 CEADMP CCC[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662279147 415745436 /nfs/dbraw/zinc/74/54/36/415745436.db2.gz RHGKKPRGGMDOJK-MRXNPFEDSA-N 2 1 274.408 2.333 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCOCc1ccccc1 ZINC000662278479 415746006 /nfs/dbraw/zinc/74/60/06/415746006.db2.gz YEGILCQALCLFRB-FMKPAKJESA-N 2 1 262.397 2.179 20 0 CEADMP C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662279404 415746888 /nfs/dbraw/zinc/74/68/88/415746888.db2.gz UDDWYZODEVLAQT-GFCCVEGCSA-N 2 1 298.789 2.432 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cn3cccnc3n2)[C@@H]1CCC[NH3+] ZINC000662315215 415774373 /nfs/dbraw/zinc/77/43/73/415774373.db2.gz GQTLXGQHZRGRSM-UKRRQHHQSA-N 2 1 287.411 2.069 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])C1CCC1 ZINC000662284279 415751381 /nfs/dbraw/zinc/75/13/81/415751381.db2.gz GVEZFMRJRHNJIJ-AEGPPILISA-N 2 1 254.418 2.251 20 0 CEADMP FC1(F)C[C@@H]1OCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292696 415756127 /nfs/dbraw/zinc/75/61/27/415756127.db2.gz HRPPXTANPYCCMC-KGLIPLIRSA-N 2 1 288.382 2.122 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCC3CCC3)C2)C1 ZINC000662286537 415756521 /nfs/dbraw/zinc/75/65/21/415756521.db2.gz QDXAKPFUBUDLJO-ARFHVFGLSA-N 2 1 266.429 2.395 20 0 CEADMP CCC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000659999797 415840633 /nfs/dbraw/zinc/84/06/33/415840633.db2.gz HMQCHLZGGKQSCB-GJZGRUSLSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000659999797 415840635 /nfs/dbraw/zinc/84/06/35/415840635.db2.gz HMQCHLZGGKQSCB-GJZGRUSLSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000659999797 415840640 /nfs/dbraw/zinc/84/06/40/415840640.db2.gz HMQCHLZGGKQSCB-GJZGRUSLSA-N 2 1 256.434 2.200 20 0 CEADMP C(C[N@H+]1CCC[C@@H](C2CCCCC2)C1)N1CC[NH2+]CC1 ZINC000662324364 415781707 /nfs/dbraw/zinc/78/17/07/415781707.db2.gz WHMKHLPOGFQZAD-QGZVFWFLSA-N 2 1 279.472 2.184 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H](CC(F)(F)F)O1 ZINC000662326607 415784666 /nfs/dbraw/zinc/78/46/66/415784666.db2.gz XDUCDOPJLDFTGJ-AGIUHOORSA-N 2 1 294.361 2.418 20 0 CEADMP CC[C@H]([NH2+]C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000662398561 415823711 /nfs/dbraw/zinc/82/37/11/415823711.db2.gz WTMQMHKWHRVBEE-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2COC(C)(C)C2)C1 ZINC000659982811 415824456 /nfs/dbraw/zinc/82/44/56/415824456.db2.gz XMRKVJKSLLCZIB-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659982811 415824461 /nfs/dbraw/zinc/82/44/61/415824461.db2.gz XMRKVJKSLLCZIB-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659982811 415824465 /nfs/dbraw/zinc/82/44/65/415824465.db2.gz XMRKVJKSLLCZIB-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCO[C@H]2CC2(F)F)C[C@H]1C ZINC000659983672 415826724 /nfs/dbraw/zinc/82/67/24/415826724.db2.gz SHELUPMRGLLFTC-AGIUHOORSA-N 2 1 276.371 2.215 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCO[C@H]2CC2(F)F)C[C@H]1C ZINC000659983672 415826730 /nfs/dbraw/zinc/82/67/30/415826730.db2.gz SHELUPMRGLLFTC-AGIUHOORSA-N 2 1 276.371 2.215 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO[C@H]2CC2(F)F)C[C@H]1C ZINC000659983672 415826736 /nfs/dbraw/zinc/82/67/36/415826736.db2.gz SHELUPMRGLLFTC-AGIUHOORSA-N 2 1 276.371 2.215 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000662622732 415909114 /nfs/dbraw/zinc/90/91/14/415909114.db2.gz TVHLJCYATSECQF-HUUCEWRRSA-N 2 1 289.423 2.066 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCc2ccccc2C1(C)C ZINC000660171180 415914794 /nfs/dbraw/zinc/91/47/94/415914794.db2.gz JIXPVEWUMLKPHQ-INIZCTEOSA-N 2 1 290.451 2.481 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCc2ccccc2C1(C)C ZINC000660171180 415914798 /nfs/dbraw/zinc/91/47/98/415914798.db2.gz JIXPVEWUMLKPHQ-INIZCTEOSA-N 2 1 290.451 2.481 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCc2ccccc2C1(C)C ZINC000660171180 415914800 /nfs/dbraw/zinc/91/48/00/415914800.db2.gz JIXPVEWUMLKPHQ-INIZCTEOSA-N 2 1 290.451 2.481 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCc2ccccc2C1(C)C ZINC000660171180 415914805 /nfs/dbraw/zinc/91/48/05/415914805.db2.gz JIXPVEWUMLKPHQ-INIZCTEOSA-N 2 1 290.451 2.481 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(-n3cccn3)cc2)CCCC1 ZINC000656788469 415861157 /nfs/dbraw/zinc/86/11/57/415861157.db2.gz QMEKYIKMNBKZNT-UHFFFAOYSA-N 2 1 270.380 2.233 20 0 CEADMP C[C@H](O)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000077207598 177234316 /nfs/dbraw/zinc/23/43/16/177234316.db2.gz DTTMREOKMVWBGI-AWEZNQCLSA-N 2 1 262.397 2.012 20 0 CEADMP CC(C)n1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)nn1 ZINC000567279521 299048304 /nfs/dbraw/zinc/04/83/04/299048304.db2.gz OGDHSKRBWBTSSS-UHFFFAOYSA-N 2 1 293.459 2.411 20 0 CEADMP CC(C)n1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)nn1 ZINC000567279521 299048306 /nfs/dbraw/zinc/04/83/06/299048306.db2.gz OGDHSKRBWBTSSS-UHFFFAOYSA-N 2 1 293.459 2.411 20 0 CEADMP CSC1(C[NH+]2CCC([N@@H+](C)CCCO)CC2)CCC1 ZINC000356127384 228132105 /nfs/dbraw/zinc/13/21/05/228132105.db2.gz OGZPRWARHACAEN-UHFFFAOYSA-N 2 1 286.485 2.051 20 0 CEADMP CC[C@@H](C)Oc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1OC ZINC000666939557 419482386 /nfs/dbraw/zinc/48/23/86/419482386.db2.gz FOXYXYWMTNZHAQ-CVGURMSBSA-N 2 1 290.407 2.180 20 0 CEADMP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666769299 419426001 /nfs/dbraw/zinc/42/60/01/419426001.db2.gz YIQLNCSAYAOGEK-UONOGXRCSA-N 2 1 260.381 2.284 20 0 CEADMP COc1cccc(-c2n[nH]cc2C[NH2+]CC2([NH3+])CCC2)c1 ZINC000666829607 419443214 /nfs/dbraw/zinc/44/32/14/419443214.db2.gz MVTIUEUPZHDGTE-UHFFFAOYSA-N 2 1 286.379 2.056 20 0 CEADMP COc1ccc(OC)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666998404 419508845 /nfs/dbraw/zinc/50/88/45/419508845.db2.gz RLFVMRZXUBDITC-CQSZACIVSA-N 2 1 290.407 2.468 20 0 CEADMP c1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000667643289 419746004 /nfs/dbraw/zinc/74/60/04/419746004.db2.gz ZZFLQZWNZGYCIC-ZIAGYGMSSA-N 2 1 268.364 2.499 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000430763294 533684700 /nfs/dbraw/zinc/68/47/00/533684700.db2.gz NPOHXZKJMHORPO-OWCLPIDISA-N 2 1 295.471 2.132 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000497265338 262128903 /nfs/dbraw/zinc/12/89/03/262128903.db2.gz OEUZMYPRKUURKF-AWEZNQCLSA-N 2 1 299.459 2.223 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000390792110 262346582 /nfs/dbraw/zinc/34/65/82/262346582.db2.gz GAWBGUDMVNCCCV-QWHCGFSZSA-N 2 1 299.459 2.220 20 0 CEADMP Cc1ncsc1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000391105980 262381331 /nfs/dbraw/zinc/38/13/31/262381331.db2.gz CTKWCSMSHRXQOZ-NQBHXWOUSA-N 2 1 267.442 2.312 20 0 CEADMP C[C@@H]([NH2+]CCCc1nccs1)[C@@H]1CCCC[NH2+]1 ZINC000391172487 262384723 /nfs/dbraw/zinc/38/47/23/262384723.db2.gz LSNONXCQQCPEIT-NEPJUHHUSA-N 2 1 253.415 2.196 20 0 CEADMP CN(C)c1ncc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)n1C ZINC000425372800 264203278 /nfs/dbraw/zinc/20/32/78/264203278.db2.gz UDVSHCIGVDNAHF-CABCVRRESA-N 2 1 274.412 2.107 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CC2)[C@H](C)C1 ZINC000425415861 264293141 /nfs/dbraw/zinc/29/31/41/264293141.db2.gz KNJHLBIKTKHXDS-SNPRPXQTSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)C2CC2)[C@H](C)C1 ZINC000425415861 264293142 /nfs/dbraw/zinc/29/31/42/264293142.db2.gz KNJHLBIKTKHXDS-SNPRPXQTSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)C2CC2)[C@H](C)C1 ZINC000425415861 264293143 /nfs/dbraw/zinc/29/31/43/264293143.db2.gz KNJHLBIKTKHXDS-SNPRPXQTSA-N 2 1 254.418 2.074 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425416488 264295669 /nfs/dbraw/zinc/29/56/69/264295669.db2.gz ITGZGHZXXANYKP-GJZGRUSLSA-N 2 1 295.471 2.192 20 0 CEADMP COc1nc2ccccc2cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000519155286 265341304 /nfs/dbraw/zinc/34/13/04/265341304.db2.gz BWZVKUFKJQCXDU-CHWSQXEVSA-N 2 1 285.391 2.413 20 0 CEADMP COc1nc2ccccc2cc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000519155286 265341307 /nfs/dbraw/zinc/34/13/07/265341307.db2.gz BWZVKUFKJQCXDU-CHWSQXEVSA-N 2 1 285.391 2.413 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000040623431 270226806 /nfs/dbraw/zinc/22/68/06/270226806.db2.gz OIXVONIYZIUKJL-AWEZNQCLSA-N 2 1 278.444 2.458 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000040623431 270226808 /nfs/dbraw/zinc/22/68/08/270226808.db2.gz OIXVONIYZIUKJL-AWEZNQCLSA-N 2 1 278.444 2.458 20 0 CEADMP COc1ccc(OCC[NH2+]C[C@H]([NH3+])CC(C)C)cc1 ZINC000107787549 270233568 /nfs/dbraw/zinc/23/35/68/270233568.db2.gz UPMADMRYNKRHCJ-CYBMUJFWSA-N 2 1 266.385 2.037 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2cccnc2OC)[C@H](C)C1 ZINC000193431014 270285205 /nfs/dbraw/zinc/28/52/05/270285205.db2.gz MDYWMLABVCTIMZ-HIFRSBDPSA-N 2 1 277.412 2.252 20 0 CEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(F)cc1F ZINC000259192598 270329374 /nfs/dbraw/zinc/32/93/74/270329374.db2.gz ZRIKIMQCYFUWEU-LLVKDONJSA-N 2 1 254.324 2.396 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395085954 270344368 /nfs/dbraw/zinc/34/43/68/270344368.db2.gz CUOSERRVWZBJMC-CGTJXYLNSA-N 2 1 287.451 2.381 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395158280 270345108 /nfs/dbraw/zinc/34/51/08/270345108.db2.gz HBQMJBUWGJTWAN-UKRRQHHQSA-N 2 1 286.423 2.465 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(O)cc(F)c2)C[C@@H]1C[NH3+] ZINC000397340735 270353033 /nfs/dbraw/zinc/35/30/33/270353033.db2.gz VNAKTCULKNRSLP-WZRBSPASSA-N 2 1 266.360 2.337 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(O)cc(F)c2)C[C@@H]1C[NH3+] ZINC000397340735 270353035 /nfs/dbraw/zinc/35/30/35/270353035.db2.gz VNAKTCULKNRSLP-WZRBSPASSA-N 2 1 266.360 2.337 20 0 CEADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1O ZINC000397399619 270353643 /nfs/dbraw/zinc/35/36/43/270353643.db2.gz IPWIHWJYWVANEC-BZPMIXESSA-N 2 1 278.396 2.206 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000398078113 270356028 /nfs/dbraw/zinc/35/60/28/270356028.db2.gz ANBMQDWHSZJPCI-MAUKXSAKSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000422776574 270762317 /nfs/dbraw/zinc/76/23/17/270762317.db2.gz CZZLRAZCCMNRBW-NURSFMCSSA-N 2 1 286.778 2.321 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422817948 270783130 /nfs/dbraw/zinc/78/31/30/270783130.db2.gz IUNKRAWRQYPAFK-ZBFHGGJFSA-N 3 1 267.461 2.214 20 0 CEADMP COC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423014606 270819809 /nfs/dbraw/zinc/81/98/09/270819809.db2.gz IYQUVKXXQKDIKN-SWLSCSKDSA-N 2 1 284.350 2.384 20 0 CEADMP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423106021 270837887 /nfs/dbraw/zinc/83/78/87/270837887.db2.gz JCUBJNROJMRQCZ-WDEREUQCSA-N 2 1 280.334 2.076 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423133241 270846654 /nfs/dbraw/zinc/84/66/54/270846654.db2.gz CNEFSQRSMPQMBH-SOUVJXGZSA-N 2 1 255.450 2.227 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423133239 270846699 /nfs/dbraw/zinc/84/66/99/270846699.db2.gz CNEFSQRSMPQMBH-RRFJBIMHSA-N 2 1 255.450 2.227 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000423200300 270868206 /nfs/dbraw/zinc/86/82/06/270868206.db2.gz LRCVZAZALYZLQS-VIFPVBQESA-N 2 1 257.765 2.004 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423319293 270895611 /nfs/dbraw/zinc/89/56/11/270895611.db2.gz FBWPXFOLXSQSMY-BYCMXARLSA-N 2 1 282.815 2.367 20 0 CEADMP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)s1 ZINC000423328739 270898009 /nfs/dbraw/zinc/89/80/09/270898009.db2.gz SFXZSAOIIGXLTR-KCJUWKMLSA-N 2 1 253.415 2.402 20 0 CEADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000424133292 271021220 /nfs/dbraw/zinc/02/12/20/271021220.db2.gz LQGUIFQWPWTGJV-WQVCFCJDSA-N 2 1 287.407 2.347 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000424197373 271030361 /nfs/dbraw/zinc/03/03/61/271030361.db2.gz HJJJMQMLOXFYFB-QMCVQRASSA-N 2 1 274.408 2.152 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000424197373 271030366 /nfs/dbraw/zinc/03/03/66/271030366.db2.gz HJJJMQMLOXFYFB-QMCVQRASSA-N 2 1 274.408 2.152 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C[C@H](C[NH3+])c2ccc(F)cc2)CC[N@H+]1C ZINC000424305479 271042165 /nfs/dbraw/zinc/04/21/65/271042165.db2.gz SLAVYTDBRFLMRU-KMFMINBZSA-N 2 1 293.430 2.283 20 0 CEADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CCC(F)(F)F ZINC000426062397 271196269 /nfs/dbraw/zinc/19/62/69/271196269.db2.gz PKSOVRNYORIEIF-CHWSQXEVSA-N 2 1 295.393 2.333 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1(c2ccccc2)CCCC1 ZINC000428217608 271246627 /nfs/dbraw/zinc/24/66/27/271246627.db2.gz SWEFBMNPCMQXPB-WBVHZDCISA-N 2 1 290.451 2.399 20 0 CEADMP CC(C)OC1CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000428259020 271251589 /nfs/dbraw/zinc/25/15/89/271251589.db2.gz HTLWIMYTTHBBNM-NEXFUWMNSA-N 2 1 252.402 2.159 20 0 CEADMP CC(C)OC1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000428259020 271251590 /nfs/dbraw/zinc/25/15/90/271251590.db2.gz HTLWIMYTTHBBNM-NEXFUWMNSA-N 2 1 252.402 2.159 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000428312904 271256383 /nfs/dbraw/zinc/25/63/83/271256383.db2.gz YAEACSJFWOKKRQ-UHFFFAOYSA-N 2 1 297.402 2.477 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000428312904 271256387 /nfs/dbraw/zinc/25/63/87/271256387.db2.gz YAEACSJFWOKKRQ-UHFFFAOYSA-N 2 1 297.402 2.477 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000428513578 271276801 /nfs/dbraw/zinc/27/68/01/271276801.db2.gz UOFSUZOJGDGUPJ-SOUVJXGZSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000428513578 271276805 /nfs/dbraw/zinc/27/68/05/271276805.db2.gz UOFSUZOJGDGUPJ-SOUVJXGZSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000428513578 271276809 /nfs/dbraw/zinc/27/68/09/271276809.db2.gz UOFSUZOJGDGUPJ-SOUVJXGZSA-N 2 1 283.460 2.096 20 0 CEADMP COC1(C[C@H](C)[NH2+]CCn2cc[nH+]c2C)CCC1 ZINC000429528755 271335944 /nfs/dbraw/zinc/33/59/44/271335944.db2.gz PRKSQJOMQKJYPU-LBPRGKRZSA-N 2 1 251.374 2.129 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000430541571 271387450 /nfs/dbraw/zinc/38/74/50/271387450.db2.gz BMUWUEVAOWETEU-HNNXBMFYSA-N 2 1 295.402 2.460 20 0 CEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000430558546 271390032 /nfs/dbraw/zinc/39/00/32/271390032.db2.gz YWRAURGXZRLSJN-OAHLLOKOSA-N 2 1 299.365 2.256 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430599673 271398119 /nfs/dbraw/zinc/39/81/19/271398119.db2.gz GHVNLHHEBYTDIS-QLFBSQMISA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)NCC1CCCCC1 ZINC000430602686 271398602 /nfs/dbraw/zinc/39/86/02/271398602.db2.gz HSQBVOFPNSRQNN-ZBFHGGJFSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)NCC1CCCCC1 ZINC000430602686 271398606 /nfs/dbraw/zinc/39/86/06/271398606.db2.gz HSQBVOFPNSRQNN-ZBFHGGJFSA-N 2 1 295.471 2.275 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000250874107 274088336 /nfs/dbraw/zinc/08/83/36/274088336.db2.gz NGRBNRWBMDSMRL-KBPBESRZSA-N 2 1 277.412 2.266 20 0 CEADMP COc1c(C)cnc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000250874107 274088342 /nfs/dbraw/zinc/08/83/42/274088342.db2.gz NGRBNRWBMDSMRL-KBPBESRZSA-N 2 1 277.412 2.266 20 0 CEADMP COc1c(C)cnc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000250874107 274088345 /nfs/dbraw/zinc/08/83/45/274088345.db2.gz NGRBNRWBMDSMRL-KBPBESRZSA-N 2 1 277.412 2.266 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000334883257 274151311 /nfs/dbraw/zinc/15/13/11/274151311.db2.gz TWTSYSLTLVNYER-GJZGRUSLSA-N 2 1 288.435 2.484 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414353976 274335635 /nfs/dbraw/zinc/33/56/35/274335635.db2.gz WOIJPLUFYPZGSW-KMFMINBZSA-N 2 1 291.414 2.334 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414353976 274335636 /nfs/dbraw/zinc/33/56/36/274335636.db2.gz WOIJPLUFYPZGSW-KMFMINBZSA-N 2 1 291.414 2.334 20 0 CEADMP Brc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[NH2+]C1)C2 ZINC000335498468 275371083 /nfs/dbraw/zinc/37/10/83/275371083.db2.gz NLAZOGMASMSEEN-KBPBESRZSA-N 2 1 295.224 2.258 20 0 CEADMP C([NH2+]CC1CCCCCC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252564829 275394888 /nfs/dbraw/zinc/39/48/88/275394888.db2.gz YICLFRDTLRWMTK-HOTGVXAUSA-N 2 1 266.429 2.410 20 0 CEADMP C([NH2+]CC1CCCCCC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252564829 275394889 /nfs/dbraw/zinc/39/48/89/275394889.db2.gz YICLFRDTLRWMTK-HOTGVXAUSA-N 2 1 266.429 2.410 20 0 CEADMP CC1(C)C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CO1 ZINC000335140581 276148272 /nfs/dbraw/zinc/14/82/72/276148272.db2.gz XFYVUDBCIMMSQN-MOKVOYLWSA-N 2 1 252.402 2.160 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(C)C ZINC000125679408 276159351 /nfs/dbraw/zinc/15/93/51/276159351.db2.gz PTQOFYKKXKYDRZ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(C)C ZINC000125679408 276159352 /nfs/dbraw/zinc/15/93/52/276159352.db2.gz PTQOFYKKXKYDRZ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(C)C ZINC000125679408 276159353 /nfs/dbraw/zinc/15/93/53/276159353.db2.gz PTQOFYKKXKYDRZ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)[C@@H](C)C1 ZINC000246481782 276228295 /nfs/dbraw/zinc/22/82/95/276228295.db2.gz RGXZATNPTFAIFH-IHRRRGAJSA-N 2 1 256.434 2.103 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000343997986 276232594 /nfs/dbraw/zinc/23/25/94/276232594.db2.gz BPIJLIGDYJVSPS-ZNMIVQPWSA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000343997986 276232596 /nfs/dbraw/zinc/23/25/96/276232596.db2.gz BPIJLIGDYJVSPS-ZNMIVQPWSA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000343997986 276232599 /nfs/dbraw/zinc/23/25/99/276232599.db2.gz BPIJLIGDYJVSPS-ZNMIVQPWSA-N 2 1 267.461 2.322 20 0 CEADMP CC[N@@H+]1C[C@H](NC[C@H]2CCC[NH+](CC(C)C)C2)[C@@H](C)C1 ZINC000358329034 276253251 /nfs/dbraw/zinc/25/32/51/276253251.db2.gz MYGXZNZRBUMVME-BBWFWOEESA-N 2 1 281.488 2.284 20 0 CEADMP CC[NH+]1C[C@H](NC[C@H]2CCC[N@H+](CC(C)C)C2)[C@@H](C)C1 ZINC000358329034 276253253 /nfs/dbraw/zinc/25/32/53/276253253.db2.gz MYGXZNZRBUMVME-BBWFWOEESA-N 2 1 281.488 2.284 20 0 CEADMP CC[NH+]1C[C@H](NC[C@H]2CCC[N@@H+](CC(C)C)C2)[C@@H](C)C1 ZINC000358329034 276253254 /nfs/dbraw/zinc/25/32/54/276253254.db2.gz MYGXZNZRBUMVME-BBWFWOEESA-N 2 1 281.488 2.284 20 0 CEADMP CCN1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)[C@@H](C)C1 ZINC000358329034 276253255 /nfs/dbraw/zinc/25/32/55/276253255.db2.gz MYGXZNZRBUMVME-BBWFWOEESA-N 2 1 281.488 2.284 20 0 CEADMP CCN1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)[C@@H](C)C1 ZINC000358329034 276253257 /nfs/dbraw/zinc/25/32/57/276253257.db2.gz MYGXZNZRBUMVME-BBWFWOEESA-N 2 1 281.488 2.284 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000353970055 276260759 /nfs/dbraw/zinc/26/07/59/276260759.db2.gz BGXCTKIRYGIHOX-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000353970055 276260761 /nfs/dbraw/zinc/26/07/61/276260761.db2.gz BGXCTKIRYGIHOX-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000353970055 276260763 /nfs/dbraw/zinc/26/07/63/276260763.db2.gz BGXCTKIRYGIHOX-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000156046788 276274511 /nfs/dbraw/zinc/27/45/11/276274511.db2.gz NPBNAQUBKGZSCD-QDIHITRGSA-N 2 1 294.439 2.325 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@H]1C ZINC000359430336 276287551 /nfs/dbraw/zinc/28/75/51/276287551.db2.gz UEJHUSKPKHSCKX-FVQBIDKESA-N 2 1 294.439 2.206 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000087710175 276345209 /nfs/dbraw/zinc/34/52/09/276345209.db2.gz IBVSFFIGVFUFAT-NUEKZKHPSA-N 2 1 278.440 2.408 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131461191 276383543 /nfs/dbraw/zinc/38/35/43/276383543.db2.gz WRXQYYYANPMELX-KBPBESRZSA-N 2 1 278.396 2.133 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415130036 277089836 /nfs/dbraw/zinc/08/98/36/277089836.db2.gz PZHYOHLQZLHVSF-IUODEOHRSA-N 2 1 275.396 2.062 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000361895954 277184257 /nfs/dbraw/zinc/18/42/57/277184257.db2.gz CTQHIIQPXNNCME-JZXOWHBKSA-N 2 1 288.435 2.225 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000361895954 277184260 /nfs/dbraw/zinc/18/42/60/277184260.db2.gz CTQHIIQPXNNCME-JZXOWHBKSA-N 2 1 288.435 2.225 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000337405892 277219683 /nfs/dbraw/zinc/21/96/83/277219683.db2.gz TYYMGNDGRVEQMZ-MRXNPFEDSA-N 2 1 296.455 2.036 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CS1 ZINC000368466634 277244334 /nfs/dbraw/zinc/24/43/34/277244334.db2.gz RKWYYFOJUICKIU-YJNKXOJESA-N 2 1 298.496 2.359 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CS1 ZINC000368466634 277244335 /nfs/dbraw/zinc/24/43/35/277244335.db2.gz RKWYYFOJUICKIU-YJNKXOJESA-N 2 1 298.496 2.359 20 0 CEADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000336807015 277253955 /nfs/dbraw/zinc/25/39/55/277253955.db2.gz FBIYUEJORYGQDT-HUUCEWRRSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc2c(cc1SC)OCCO2 ZINC000414846726 277274532 /nfs/dbraw/zinc/27/45/32/277274532.db2.gz VACNTOYKOUQQIN-LLVKDONJSA-N 2 1 296.436 2.125 20 0 CEADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC[C@@H]1C ZINC000342743053 277299473 /nfs/dbraw/zinc/29/94/73/277299473.db2.gz XOQZDURGOXJDCD-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC[C@@H]1C ZINC000342743053 277299475 /nfs/dbraw/zinc/29/94/75/277299475.db2.gz XOQZDURGOXJDCD-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CC[C@@H]1C ZINC000342743053 277299476 /nfs/dbraw/zinc/29/94/76/277299476.db2.gz XOQZDURGOXJDCD-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000178079800 277343106 /nfs/dbraw/zinc/34/31/06/277343106.db2.gz KBWFEHBXYQXDEI-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000178079800 277343107 /nfs/dbraw/zinc/34/31/07/277343107.db2.gz KBWFEHBXYQXDEI-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000351621752 277361169 /nfs/dbraw/zinc/36/11/69/277361169.db2.gz DBTVRAHKNYDWJY-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NC1CCC([NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000248867882 278088709 /nfs/dbraw/zinc/08/87/09/278088709.db2.gz QHNZEFBPZUKICW-VBJONLRCSA-N 2 1 295.471 2.144 20 0 CEADMP CC(=O)NC1CCC([NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000248867882 278088711 /nfs/dbraw/zinc/08/87/11/278088711.db2.gz QHNZEFBPZUKICW-VBJONLRCSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCOC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358482276 278262106 /nfs/dbraw/zinc/26/21/06/278262106.db2.gz ISZXQWSQBRZHEY-KKUMJFAQSA-N 2 1 266.429 2.266 20 0 CEADMP CC1(C)CC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)O1 ZINC000160329712 278278538 /nfs/dbraw/zinc/27/85/38/278278538.db2.gz LWARUASLGHLHNJ-BFHYXJOUSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000192100277 278314605 /nfs/dbraw/zinc/31/46/05/278314605.db2.gz OPTXGMZJDFKDHP-LSDHHAIUSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@H]1CC[N@H+](Cc2cccc3c2OCCCO3)C[C@H]1C[NH3+] ZINC000415137677 278368508 /nfs/dbraw/zinc/36/85/08/278368508.db2.gz YFKZQRMVUYEVSC-DZGCQCFKSA-N 2 1 290.407 2.265 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C[C@H]1C[NH3+] ZINC000415137677 278368509 /nfs/dbraw/zinc/36/85/09/278368509.db2.gz YFKZQRMVUYEVSC-DZGCQCFKSA-N 2 1 290.407 2.265 20 0 CEADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000343464320 288090668 /nfs/dbraw/zinc/09/06/68/288090668.db2.gz UHNAHPYUBIIYSS-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000340206915 279094248 /nfs/dbraw/zinc/09/42/48/279094248.db2.gz RKLODKXMHUXYPZ-GJZGRUSLSA-N 2 1 256.434 2.201 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000365650484 279094448 /nfs/dbraw/zinc/09/44/48/279094448.db2.gz RPTZUMWKVQTMDC-OAHLLOKOSA-N 2 1 278.444 2.331 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000365650484 279094449 /nfs/dbraw/zinc/09/44/49/279094449.db2.gz RPTZUMWKVQTMDC-OAHLLOKOSA-N 2 1 278.444 2.331 20 0 CEADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367631803 279100067 /nfs/dbraw/zinc/10/00/67/279100067.db2.gz FOWQATDRXLYKQW-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367631803 279100068 /nfs/dbraw/zinc/10/00/68/279100068.db2.gz FOWQATDRXLYKQW-ARFHVFGLSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367631803 279100070 /nfs/dbraw/zinc/10/00/70/279100070.db2.gz FOWQATDRXLYKQW-ARFHVFGLSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000045691967 279119743 /nfs/dbraw/zinc/11/97/43/279119743.db2.gz MAQNJLGOAZSEIN-OAHLLOKOSA-N 3 1 290.455 2.370 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000183321914 279173176 /nfs/dbraw/zinc/17/31/76/279173176.db2.gz YIQSEHUBGGSJQN-DOMZBBRYSA-N 2 1 287.411 2.302 20 0 CEADMP C[C@H](C[NH3+])CN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414882300 279289734 /nfs/dbraw/zinc/28/97/34/279289734.db2.gz TYAUSSSZGCEKAO-IIAWOOMASA-N 2 1 261.413 2.006 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000414882300 279289736 /nfs/dbraw/zinc/28/97/36/279289736.db2.gz TYAUSSSZGCEKAO-IIAWOOMASA-N 2 1 261.413 2.006 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353447363 279355242 /nfs/dbraw/zinc/35/52/42/279355242.db2.gz LBPLVSXMIASWRZ-BZUAXINKSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353447363 279355244 /nfs/dbraw/zinc/35/52/44/279355244.db2.gz LBPLVSXMIASWRZ-BZUAXINKSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353447363 279355245 /nfs/dbraw/zinc/35/52/45/279355245.db2.gz LBPLVSXMIASWRZ-BZUAXINKSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353447363 279355248 /nfs/dbraw/zinc/35/52/48/279355248.db2.gz LBPLVSXMIASWRZ-BZUAXINKSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353447363 279355249 /nfs/dbraw/zinc/35/52/49/279355249.db2.gz LBPLVSXMIASWRZ-BZUAXINKSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353447363 279355251 /nfs/dbraw/zinc/35/52/51/279355251.db2.gz LBPLVSXMIASWRZ-BZUAXINKSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353447363 279355254 /nfs/dbraw/zinc/35/52/54/279355254.db2.gz LBPLVSXMIASWRZ-BZUAXINKSA-N 3 1 267.461 2.179 20 0 CEADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357053703 279381373 /nfs/dbraw/zinc/38/13/73/279381373.db2.gz PPGFYMHZDFGNIQ-OIISXLGYSA-N 2 1 258.409 2.407 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000362820714 279396020 /nfs/dbraw/zinc/39/60/20/279396020.db2.gz QIYQRBPGAMHNQX-GDBMZVCRSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)[C@H]1CCC[NH2+]1 ZINC000331988612 279509649 /nfs/dbraw/zinc/50/96/49/279509649.db2.gz UMKPNIITKCSREW-IUIKQTSFSA-N 2 1 259.397 2.376 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H](C)Cn3cccn3)CC2)[nH+]1 ZINC000137467192 280068413 /nfs/dbraw/zinc/06/84/13/280068413.db2.gz CALAPSUKSSEFQN-OAHLLOKOSA-N 2 1 299.422 2.234 20 0 CEADMP C[C@@H](Cn1cccn1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000138092026 280070045 /nfs/dbraw/zinc/07/00/45/280070045.db2.gz CVPXGEDZTGZJND-HOTGVXAUSA-N 2 1 278.444 2.373 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000417699131 288197217 /nfs/dbraw/zinc/19/72/17/288197217.db2.gz JXZHYSVXCWUPIP-GJZGRUSLSA-N 2 1 298.475 2.068 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC12CCOCC2 ZINC000367066453 280101196 /nfs/dbraw/zinc/10/11/96/280101196.db2.gz MQKKGJXDRPXBNO-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC12CCOCC2 ZINC000367066453 280101199 /nfs/dbraw/zinc/10/11/99/280101199.db2.gz MQKKGJXDRPXBNO-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)CC[NH2+]C1 ZINC000261774905 280154917 /nfs/dbraw/zinc/15/49/17/280154917.db2.gz NBPIXALLVHXBDX-ROUUACIJSA-N 2 1 288.435 2.012 20 0 CEADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[NH+](C)C ZINC000151241154 280160378 /nfs/dbraw/zinc/16/03/78/280160378.db2.gz BWPVZFZVLVIOQJ-OWCLPIDISA-N 2 1 295.471 2.046 20 0 CEADMP C[C@H](NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)c(F)c1 ZINC000212708553 280207569 /nfs/dbraw/zinc/20/75/69/280207569.db2.gz FVCIRFVYHYFUPR-WCQYABFASA-N 2 1 299.821 2.376 20 0 CEADMP C[C@H](NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)c(F)c1 ZINC000212708553 280207571 /nfs/dbraw/zinc/20/75/71/280207571.db2.gz FVCIRFVYHYFUPR-WCQYABFASA-N 2 1 299.821 2.376 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000245432312 280239894 /nfs/dbraw/zinc/23/98/94/280239894.db2.gz ONXUXEKDNRSUKQ-JKSUJKDBSA-N 2 1 267.461 2.134 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC[N@@H+]1C ZINC000245912694 280265875 /nfs/dbraw/zinc/26/58/75/280265875.db2.gz PNGSZUSZRGFESI-QCODTGAPSA-N 2 1 278.440 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC[N@H+]1C ZINC000245912694 280265877 /nfs/dbraw/zinc/26/58/77/280265877.db2.gz PNGSZUSZRGFESI-QCODTGAPSA-N 2 1 278.440 2.406 20 0 CEADMP CC1CCC(O)(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000246335248 280288049 /nfs/dbraw/zinc/28/80/49/280288049.db2.gz LJKWVDFDUDOEFY-PWUWZPNHSA-N 2 1 268.445 2.342 20 0 CEADMP CC1CCC(O)(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000246335248 280288050 /nfs/dbraw/zinc/28/80/50/280288050.db2.gz LJKWVDFDUDOEFY-PWUWZPNHSA-N 2 1 268.445 2.342 20 0 CEADMP CC1CCC(O)(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246335248 280288051 /nfs/dbraw/zinc/28/80/51/280288051.db2.gz LJKWVDFDUDOEFY-PWUWZPNHSA-N 2 1 268.445 2.342 20 0 CEADMP CC1CCC(O)(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246335248 280288052 /nfs/dbraw/zinc/28/80/52/280288052.db2.gz LJKWVDFDUDOEFY-PWUWZPNHSA-N 2 1 268.445 2.342 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2c(C)noc2C)[C@@H](C)C1 ZINC000246952157 280315590 /nfs/dbraw/zinc/31/55/90/280315590.db2.gz IELAFRPPYXOTEN-IINYFYTJSA-N 2 1 251.374 2.111 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247034840 280318587 /nfs/dbraw/zinc/31/85/87/280318587.db2.gz LMBIQOXJFPVMPU-UMVBOHGHSA-N 2 1 276.428 2.260 20 0 CEADMP C[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000247136980 280321456 /nfs/dbraw/zinc/32/14/56/280321456.db2.gz SQQSVOOCHFKQQN-HZPDHXFCSA-N 2 1 268.445 2.467 20 0 CEADMP CC[C@@H]1C[N@H+](CCCN2C[C@H](C)O[C@@H](CC)C2)C[C@@H](C)O1 ZINC000247162276 280322092 /nfs/dbraw/zinc/32/20/92/280322092.db2.gz ZNSPMDAJBFTXSW-WNKDZCFJSA-N 2 1 298.471 2.375 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCN2C[C@H](C)O[C@@H](CC)C2)C[C@@H](C)O1 ZINC000247162276 280322094 /nfs/dbraw/zinc/32/20/94/280322094.db2.gz ZNSPMDAJBFTXSW-WNKDZCFJSA-N 2 1 298.471 2.375 20 0 CEADMP CC[N@H+]1CC[C@H](NCCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000247946569 280341142 /nfs/dbraw/zinc/34/11/42/280341142.db2.gz HTCXUCGRFVLQFK-IRXDYDNUSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000247946569 280341144 /nfs/dbraw/zinc/34/11/44/280341144.db2.gz HTCXUCGRFVLQFK-IRXDYDNUSA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000247946569 280341145 /nfs/dbraw/zinc/34/11/45/280341145.db2.gz HTCXUCGRFVLQFK-IRXDYDNUSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@@H](c1cnccn1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000248622572 280355635 /nfs/dbraw/zinc/35/56/35/280355635.db2.gz NPZFWLNVFFODAL-UONOGXRCSA-N 2 1 262.401 2.344 20 0 CEADMP CSC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000248645304 280357174 /nfs/dbraw/zinc/35/71/74/280357174.db2.gz GFVSUTXYHOJWQD-STQMWFEESA-N 2 1 254.443 2.489 20 0 CEADMP C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1c[nH+]ccc1N ZINC000422852114 280935754 /nfs/dbraw/zinc/93/57/54/280935754.db2.gz AANDCDHLSDAIIF-CYBMUJFWSA-N 2 1 297.406 2.209 20 0 CEADMP Oc1cccc2c1CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422983490 280982427 /nfs/dbraw/zinc/98/24/27/280982427.db2.gz ZRZHMRCHSAIWDE-BTQFLJHSSA-N 2 1 258.365 2.252 20 0 CEADMP CCc1ccc([C@H](COC)[NH2+][C@H](C)C[C@H](C)[NH3+])o1 ZINC000422990064 280985424 /nfs/dbraw/zinc/98/54/24/280985424.db2.gz BKTZSPUOGJMMDX-LOWVWBTDSA-N 2 1 254.374 2.245 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1c[nH+]ccc1N ZINC000423027642 280999099 /nfs/dbraw/zinc/99/90/99/280999099.db2.gz DUONMFAVHCWHQG-DZGCQCFKSA-N 2 1 285.391 2.138 20 0 CEADMP COC1CCC(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423037635 281004244 /nfs/dbraw/zinc/00/42/44/281004244.db2.gz NFFLHWBEGNERHZ-VXGQWTEUSA-N 2 1 254.418 2.169 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000423043705 281005995 /nfs/dbraw/zinc/00/59/95/281005995.db2.gz PTCGSKZNSQLIRP-ILXRZTDVSA-N 3 1 267.461 2.356 20 0 CEADMP C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000423049419 281010005 /nfs/dbraw/zinc/01/00/05/281010005.db2.gz XLVCNHFKXXUHMQ-XQLPTFJDSA-N 2 1 267.461 2.355 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423049419 281010009 /nfs/dbraw/zinc/01/00/09/281010009.db2.gz XLVCNHFKXXUHMQ-XQLPTFJDSA-N 3 1 267.461 2.355 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000423049419 281010011 /nfs/dbraw/zinc/01/00/11/281010011.db2.gz XLVCNHFKXXUHMQ-XQLPTFJDSA-N 3 1 267.461 2.355 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423050179 281010452 /nfs/dbraw/zinc/01/04/52/281010452.db2.gz LCULBORQFCOZHV-BLLLJJGKSA-N 2 1 289.398 2.448 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1(C)C ZINC000423051738 281011488 /nfs/dbraw/zinc/01/14/88/281011488.db2.gz OYSPJPHMGOVSHE-YIYPIFLZSA-N 2 1 254.418 2.309 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(OC)c(OC)c1 ZINC000423330087 281023173 /nfs/dbraw/zinc/02/31/73/281023173.db2.gz TWQLDFRWZGTHNI-KGLIPLIRSA-N 2 1 278.396 2.482 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000423435401 281040687 /nfs/dbraw/zinc/04/06/87/281040687.db2.gz DTWBEDPNGBMUPM-UPJWGTAASA-N 2 1 258.369 2.259 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CSCCc2ccccc21 ZINC000423439146 281043198 /nfs/dbraw/zinc/04/31/98/281043198.db2.gz HMKPFQGGGNLCLD-MJVIPROJSA-N 2 1 250.411 2.342 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423769727 281088199 /nfs/dbraw/zinc/08/81/99/281088199.db2.gz GMJDTZZBVDGMNW-OWCLPIDISA-N 2 1 297.487 2.249 20 0 CEADMP C[NH2+]CCCN(C)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000424016113 281111774 /nfs/dbraw/zinc/11/17/74/281111774.db2.gz BKQGSWHBMCKKTB-CQSZACIVSA-N 2 1 297.830 2.011 20 0 CEADMP C[NH2+]CCCN(C)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000424016112 281111809 /nfs/dbraw/zinc/11/18/09/281111809.db2.gz BKQGSWHBMCKKTB-AWEZNQCLSA-N 2 1 297.830 2.011 20 0 CEADMP COCc1nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cs1 ZINC000424301659 281144035 /nfs/dbraw/zinc/14/40/35/281144035.db2.gz XXRZTUPSGOSHLB-LBPRGKRZSA-N 2 1 295.452 2.254 20 0 CEADMP COc1ccccc1OCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429543948 281242016 /nfs/dbraw/zinc/24/20/16/281242016.db2.gz WUAQEJNDBJYBFQ-OAHLLOKOSA-N 2 1 292.423 2.490 20 0 CEADMP COc1ccccc1OCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429543948 281242021 /nfs/dbraw/zinc/24/20/21/281242021.db2.gz WUAQEJNDBJYBFQ-OAHLLOKOSA-N 2 1 292.423 2.490 20 0 CEADMP CCCCc1noc([C@@H](C)[NH+]2CCC(C[NH3+])CC2)n1 ZINC000430630181 281271300 /nfs/dbraw/zinc/27/13/00/281271300.db2.gz RHHBRUJPKBEKBU-LLVKDONJSA-N 2 1 266.389 2.144 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000431852386 281322806 /nfs/dbraw/zinc/32/28/06/281322806.db2.gz WWKRQIRXPBQAIN-HOTGVXAUSA-N 2 1 297.487 2.247 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000435373567 281385814 /nfs/dbraw/zinc/38/58/14/281385814.db2.gz FCXBVXZWDVXYNY-RYUDHWBXSA-N 2 1 274.368 2.147 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@@H+]2CCC[C@H]2C[NH3+])cc1F ZINC000435378290 281385893 /nfs/dbraw/zinc/38/58/93/281385893.db2.gz IAACXIRLXFGPNT-OCCSQVGLSA-N 2 1 280.387 2.436 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@H]2C[NH3+])cc1F ZINC000435378290 281385895 /nfs/dbraw/zinc/38/58/95/281385895.db2.gz IAACXIRLXFGPNT-OCCSQVGLSA-N 2 1 280.387 2.436 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000435379162 281386428 /nfs/dbraw/zinc/38/64/28/281386428.db2.gz LGGBSFSDEWBDAW-YUTCNCBUSA-N 2 1 286.379 2.147 20 0 CEADMP CCOc1cccc(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)n1 ZINC000435382231 281386432 /nfs/dbraw/zinc/38/64/32/281386432.db2.gz CHZQLEUQPSNTLP-HNNXBMFYSA-N 2 1 277.412 2.444 20 0 CEADMP CCOc1cccc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)n1 ZINC000435382231 281386434 /nfs/dbraw/zinc/38/64/34/281386434.db2.gz CHZQLEUQPSNTLP-HNNXBMFYSA-N 2 1 277.412 2.444 20 0 CEADMP CC[N@@H+](Cc1cnc2n[nH]c(C)c2c1)[C@H]1CCC[NH2+]CC1 ZINC000435388561 281387804 /nfs/dbraw/zinc/38/78/04/281387804.db2.gz GLVVARMVINBIGD-AWEZNQCLSA-N 2 1 287.411 2.230 20 0 CEADMP CC[C@H]1C[C@H](C[NH+]2CCC3(CC[NH2+]3)CC2)CCO1 ZINC000335412130 288351002 /nfs/dbraw/zinc/35/10/02/288351002.db2.gz IKGJIPVYPFXTPH-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353986756 288356328 /nfs/dbraw/zinc/35/63/28/288356328.db2.gz LAFKOEUIDPEDRG-OXGONZEZSA-N 2 1 266.429 2.121 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248161104 282002692 /nfs/dbraw/zinc/00/26/92/282002692.db2.gz SDCQHGZIJNNHHT-ZNMIVQPWSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248161104 282002696 /nfs/dbraw/zinc/00/26/96/282002696.db2.gz SDCQHGZIJNNHHT-ZNMIVQPWSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248161104 282002698 /nfs/dbraw/zinc/00/26/98/282002698.db2.gz SDCQHGZIJNNHHT-ZNMIVQPWSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248161104 282002700 /nfs/dbraw/zinc/00/27/00/282002700.db2.gz SDCQHGZIJNNHHT-ZNMIVQPWSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351712804 282034823 /nfs/dbraw/zinc/03/48/23/282034823.db2.gz RGKZEQBOBIFLOU-GJZGRUSLSA-N 2 1 268.445 2.342 20 0 CEADMP CCC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351712804 282034827 /nfs/dbraw/zinc/03/48/27/282034827.db2.gz RGKZEQBOBIFLOU-GJZGRUSLSA-N 2 1 268.445 2.342 20 0 CEADMP CCC(C)(C)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351712804 282034831 /nfs/dbraw/zinc/03/48/31/282034831.db2.gz RGKZEQBOBIFLOU-GJZGRUSLSA-N 2 1 268.445 2.342 20 0 CEADMP CCC(C)(C)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351712804 282034836 /nfs/dbraw/zinc/03/48/36/282034836.db2.gz RGKZEQBOBIFLOU-GJZGRUSLSA-N 2 1 268.445 2.342 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000261652259 282071014 /nfs/dbraw/zinc/07/10/14/282071014.db2.gz FQWMCIDIUVMDIQ-OKILXGFUSA-N 2 1 283.460 2.131 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)nc2)[C@@H](C)C1 ZINC000267904066 289263065 /nfs/dbraw/zinc/26/30/65/289263065.db2.gz CLXSZOSZASOVPP-DZGCQCFKSA-N 2 1 277.412 2.252 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)nc2)[C@@H](C)C1 ZINC000267904066 289263066 /nfs/dbraw/zinc/26/30/66/289263066.db2.gz CLXSZOSZASOVPP-DZGCQCFKSA-N 2 1 277.412 2.252 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)nc2)[C@@H](C)C1 ZINC000267904066 289263067 /nfs/dbraw/zinc/26/30/67/289263067.db2.gz CLXSZOSZASOVPP-DZGCQCFKSA-N 2 1 277.412 2.252 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)nc2)[C@@H](C)C1 ZINC000267904066 289263069 /nfs/dbraw/zinc/26/30/69/289263069.db2.gz CLXSZOSZASOVPP-DZGCQCFKSA-N 2 1 277.412 2.252 20 0 CEADMP C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000314066936 289283161 /nfs/dbraw/zinc/28/31/61/289283161.db2.gz WIFCDRGWWZBJDX-GJZGRUSLSA-N 2 1 279.428 2.368 20 0 CEADMP C[C@H](O)C[C@@H]1CCCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000314066936 289283165 /nfs/dbraw/zinc/28/31/65/289283165.db2.gz WIFCDRGWWZBJDX-GJZGRUSLSA-N 2 1 279.428 2.368 20 0 CEADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCCC1 ZINC000168342500 289945811 /nfs/dbraw/zinc/94/58/11/289945811.db2.gz ODXZKJKSCSIPOK-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]CCc1ccc(Cl)cc1 ZINC000459371872 290128512 /nfs/dbraw/zinc/12/85/12/290128512.db2.gz IWBFTMUZLYGVNF-UHFFFAOYSA-N 2 1 284.831 2.440 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCNC1CC[NH+](C2CC2)CC1 ZINC000459377719 290130603 /nfs/dbraw/zinc/13/06/03/290130603.db2.gz QBBBQANYFZTYDJ-AWEZNQCLSA-N 2 1 265.445 2.077 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)[C@H]1SC ZINC000459388410 290133699 /nfs/dbraw/zinc/13/36/99/290133699.db2.gz LKPZQIFZMRLUOC-SPWCGHHHSA-N 2 1 297.468 2.326 20 0 CEADMP Cn1cc([C@H]([NH2+]CCc2c[nH+]cn2C)C(C)(C)C)cn1 ZINC000459390975 290134353 /nfs/dbraw/zinc/13/43/53/290134353.db2.gz UGIBQWUIWQYXFW-AWEZNQCLSA-N 2 1 275.400 2.073 20 0 CEADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000459489833 290162565 /nfs/dbraw/zinc/16/25/65/290162565.db2.gz VXZKOKIGZSQQRO-ZIAGYGMSSA-N 2 1 266.429 2.408 20 0 CEADMP CCC(O)(CC)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459499660 290165535 /nfs/dbraw/zinc/16/55/35/290165535.db2.gz WXXDHUNFLRGJDG-UHFFFAOYSA-N 2 1 254.418 2.144 20 0 CEADMP CN(Cc1cnc(C2CC2)nc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459547181 290175722 /nfs/dbraw/zinc/17/57/22/290175722.db2.gz OOWPCJWLPPLQEK-XYPWUTKMSA-N 2 1 286.423 2.411 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOC2)[C@@H]1c1ccccc1 ZINC000371519945 290195989 /nfs/dbraw/zinc/19/59/89/290195989.db2.gz OUGVFTGZVQMHIS-ZACQAIPSSA-N 2 1 274.408 2.448 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@@H]1C ZINC000459730600 290220085 /nfs/dbraw/zinc/22/00/85/290220085.db2.gz DXKRVSGIOVGGGU-WCVJEAGWSA-N 2 1 296.455 2.286 20 0 CEADMP COCc1cnc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000459734974 290221255 /nfs/dbraw/zinc/22/12/55/290221255.db2.gz PDYGVBYKEZBKSA-LBPRGKRZSA-N 2 1 283.441 2.111 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000459738687 290222253 /nfs/dbraw/zinc/22/22/53/290222253.db2.gz SDSLHAKLGHYAKZ-AWEZNQCLSA-N 2 1 299.422 2.293 20 0 CEADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000459754869 290227954 /nfs/dbraw/zinc/22/79/54/290227954.db2.gz FFEZDSCNVNDCQP-DYVFJYSZSA-N 2 1 294.414 2.144 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000459777215 290236956 /nfs/dbraw/zinc/23/69/56/290236956.db2.gz KINCFRAFKNZOGY-CABCVRRESA-N 2 1 291.439 2.343 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000488198420 290383074 /nfs/dbraw/zinc/38/30/74/290383074.db2.gz VLROUHRKIXCWFW-ZDUSSCGKSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000488198420 290383077 /nfs/dbraw/zinc/38/30/77/290383077.db2.gz VLROUHRKIXCWFW-ZDUSSCGKSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)n(C)n1 ZINC000417976973 533693634 /nfs/dbraw/zinc/69/36/34/533693634.db2.gz BPODLPSHUBPBNG-AWEZNQCLSA-N 2 1 264.417 2.083 20 0 CEADMP Clc1cccc([C@@H]2CNCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000261771369 294112543 /nfs/dbraw/zinc/11/25/43/294112543.db2.gz SDGIZRRLTHIVKH-INIZCTEOSA-N 2 1 293.842 2.286 20 0 CEADMP Clc1cccc([C@@H]2CNCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000261771369 294112545 /nfs/dbraw/zinc/11/25/45/294112545.db2.gz SDGIZRRLTHIVKH-INIZCTEOSA-N 2 1 293.842 2.286 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+]CCOCC(F)(F)F)c2ccccc21 ZINC000132116392 295343229 /nfs/dbraw/zinc/34/32/29/295343229.db2.gz BPWIUTOJOBVLPJ-NWDGAFQWSA-N 2 1 274.286 2.300 20 0 CEADMP COc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)C2 ZINC000530216185 298052718 /nfs/dbraw/zinc/05/27/18/298052718.db2.gz NPYYIHAVCHACKI-PBHICJAKSA-N 2 1 286.419 2.427 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000530221007 298054935 /nfs/dbraw/zinc/05/49/35/298054935.db2.gz VUCUGVAUFQJLSO-DOTOQJQBSA-N 2 1 294.414 2.444 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1(C)C ZINC000530222209 298056366 /nfs/dbraw/zinc/05/63/66/298056366.db2.gz QXXVGORTEGNJKU-YNEHKIRRSA-N 2 1 252.402 2.064 20 0 CEADMP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000531486275 298108081 /nfs/dbraw/zinc/10/80/81/298108081.db2.gz ADDZKENCSFUJJI-CQSZACIVSA-N 2 1 290.411 2.009 20 0 CEADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000532442036 298144246 /nfs/dbraw/zinc/14/42/46/298144246.db2.gz VMLCLKNLBBUOAO-UKRRQHHQSA-N 2 1 293.480 2.425 20 0 CEADMP C[C@H](O)C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000534314726 298172627 /nfs/dbraw/zinc/17/26/27/298172627.db2.gz BJEIFIJMKVPLMG-DOTOQJQBSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@H](O)C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000534314726 298172628 /nfs/dbraw/zinc/17/26/28/298172628.db2.gz BJEIFIJMKVPLMG-DOTOQJQBSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@H](O)C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000534314726 298172630 /nfs/dbraw/zinc/17/26/30/298172630.db2.gz BJEIFIJMKVPLMG-DOTOQJQBSA-N 2 1 276.424 2.354 20 0 CEADMP Cc1cnc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)nc1 ZINC000536363540 298196026 /nfs/dbraw/zinc/19/60/26/298196026.db2.gz QDDORGMVOHSGEJ-UHFFFAOYSA-N 2 1 276.428 2.337 20 0 CEADMP Cc1cnc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)nc1 ZINC000536363540 298196029 /nfs/dbraw/zinc/19/60/29/298196029.db2.gz QDDORGMVOHSGEJ-UHFFFAOYSA-N 2 1 276.428 2.337 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000539803439 298254929 /nfs/dbraw/zinc/25/49/29/298254929.db2.gz UHSRZYPHYCWYTP-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000545983121 298342347 /nfs/dbraw/zinc/34/23/47/298342347.db2.gz RSEZBSXCWQCRAF-SOUVJXGZSA-N 2 1 277.412 2.148 20 0 CEADMP C[C@H](Cn1ccnc1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548061059 298390558 /nfs/dbraw/zinc/39/05/58/298390558.db2.gz VMKHIRKORMLSBX-CQSZACIVSA-N 2 1 292.427 2.042 20 0 CEADMP CN(Cc1ncc[nH]1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548061019 298390796 /nfs/dbraw/zinc/39/07/96/298390796.db2.gz MDGRSHWSQCPJGV-UHFFFAOYSA-N 2 1 278.400 2.023 20 0 CEADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cncc(F)c1 ZINC000567286749 299049624 /nfs/dbraw/zinc/04/96/24/299049624.db2.gz VJPUJFLTEIMZGH-NSHDSACASA-N 2 1 262.332 2.238 20 0 CEADMP O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000567368018 299058291 /nfs/dbraw/zinc/05/82/91/299058291.db2.gz JKTHLONJXAKDEI-RKTXRCNFSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000567368018 299058293 /nfs/dbraw/zinc/05/82/93/299058293.db2.gz JKTHLONJXAKDEI-RKTXRCNFSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000567368018 299058296 /nfs/dbraw/zinc/05/82/96/299058296.db2.gz JKTHLONJXAKDEI-RKTXRCNFSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000567368018 299058298 /nfs/dbraw/zinc/05/82/98/299058298.db2.gz JKTHLONJXAKDEI-RKTXRCNFSA-N 2 1 278.440 2.239 20 0 CEADMP CCC1(CC)[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C[C@@H]1OC ZINC000181752069 312797183 /nfs/dbraw/zinc/79/71/83/312797183.db2.gz NJYFMDMLMYCZCA-GJZGRUSLSA-N 2 1 298.471 2.281 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NCc1nc(C)c(C)[nH]1 ZINC000515312825 313068368 /nfs/dbraw/zinc/06/83/68/313068368.db2.gz RLDCRPSFIDGIKQ-LLVKDONJSA-N 2 1 252.406 2.237 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC000516272759 313086330 /nfs/dbraw/zinc/08/63/30/313086330.db2.gz GBTBOHRCTRWBCZ-NUEKZKHPSA-N 2 1 287.407 2.042 20 0 CEADMP FC1(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000525981965 313153808 /nfs/dbraw/zinc/15/38/08/313153808.db2.gz XLTOXFAZBZRGIE-UHFFFAOYSA-N 2 1 278.371 2.111 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccncc1Cl ZINC000527641228 313189854 /nfs/dbraw/zinc/18/98/54/313189854.db2.gz MMZYIBFAZCXJFX-UHFFFAOYSA-N 2 1 264.760 2.420 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2CC[NH+]2C2CCCC2)CC[N@H+]1C ZINC000528007669 313223801 /nfs/dbraw/zinc/22/38/01/313223801.db2.gz BPXAGQNDUYRZTH-IIAWOOMASA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@H+]2C2CCCC2)CC[NH+]1C ZINC000528007669 313223807 /nfs/dbraw/zinc/22/38/07/313223807.db2.gz BPXAGQNDUYRZTH-IIAWOOMASA-N 2 1 265.445 2.076 20 0 CEADMP COC(C)(C)C[NH+](C)CCC[N@H+](C)CC(C)(C)OC ZINC000535724294 313393432 /nfs/dbraw/zinc/39/34/32/313393432.db2.gz SXCYJGRWHXMFMZ-UHFFFAOYSA-N 2 1 274.449 2.090 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOC(C)(C)C ZINC000546765698 313511974 /nfs/dbraw/zinc/51/19/74/313511974.db2.gz RUJFTCYNPSQLPZ-UHFFFAOYSA-N 2 1 251.374 2.052 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC1([NH3+])CCCCC1 ZINC000569802223 314014754 /nfs/dbraw/zinc/01/47/54/314014754.db2.gz IEFGNHHWSHHOOG-ZDUSSCGKSA-N 2 1 262.401 2.049 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc(C2CC2)s1 ZINC000570026332 314023005 /nfs/dbraw/zinc/02/30/05/314023005.db2.gz OWMNESBJGGKZRZ-JOYOIKCWSA-N 2 1 251.399 2.108 20 0 CEADMP FC(F)(F)CCN1CCC([NH2+]CCC[NH+]2CCC2)CC1 ZINC000570342873 314034905 /nfs/dbraw/zinc/03/49/05/314034905.db2.gz GFTJSHYGFLTUDU-UHFFFAOYSA-N 2 1 293.377 2.089 20 0 CEADMP CC(C)n1nccc1CN(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000571483644 314092647 /nfs/dbraw/zinc/09/26/47/314092647.db2.gz IEBUWPUMDDMNDH-ZFWWWQNUSA-N 2 1 264.417 2.236 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC3CCC2(C[NH3+])CC3)c1C ZINC000572616953 314133612 /nfs/dbraw/zinc/13/36/12/314133612.db2.gz LPJSVEOVLWTXIS-UHFFFAOYSA-N 2 1 289.423 2.410 20 0 CEADMP CC1(C)CCC[NH+]1CC(O)C[N@@H+]1CCCC1(C)C ZINC000574146928 314190368 /nfs/dbraw/zinc/19/03/68/314190368.db2.gz UEYBNVKBQGIKNN-UHFFFAOYSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+]1CCC(CNC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000576062888 314237686 /nfs/dbraw/zinc/23/76/86/314237686.db2.gz PWZVUEGYXATNAB-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CC2(O)CCC2)c1 ZINC000576100334 314240943 /nfs/dbraw/zinc/24/09/43/314240943.db2.gz JNQMPTFYFJHEFH-UHFFFAOYSA-N 2 1 262.397 2.143 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CCN1C ZINC000576166471 314249228 /nfs/dbraw/zinc/24/92/28/314249228.db2.gz QBFFQYLQBYFVIM-KSSFIOAISA-N 2 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@@H](N(C)Cc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1C ZINC000576166471 314249232 /nfs/dbraw/zinc/24/92/32/314249232.db2.gz QBFFQYLQBYFVIM-KSSFIOAISA-N 2 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@@H](N(C)Cc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1C ZINC000576166471 314249235 /nfs/dbraw/zinc/24/92/35/314249235.db2.gz QBFFQYLQBYFVIM-KSSFIOAISA-N 2 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1C ZINC000576166471 314249238 /nfs/dbraw/zinc/24/92/38/314249238.db2.gz QBFFQYLQBYFVIM-KSSFIOAISA-N 3 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1C ZINC000576166471 314249242 /nfs/dbraw/zinc/24/92/42/314249242.db2.gz QBFFQYLQBYFVIM-KSSFIOAISA-N 3 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC[NH+]1C ZINC000576166471 314249245 /nfs/dbraw/zinc/24/92/45/314249245.db2.gz QBFFQYLQBYFVIM-KSSFIOAISA-N 3 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC[NH+]1C ZINC000576166471 314249247 /nfs/dbraw/zinc/24/92/47/314249247.db2.gz QBFFQYLQBYFVIM-KSSFIOAISA-N 3 1 287.451 2.247 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000576695416 314301934 /nfs/dbraw/zinc/30/19/34/314301934.db2.gz OSDGKMIZQSUWAJ-QAPCUYQASA-N 2 1 289.467 2.266 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1C ZINC000576766451 314309176 /nfs/dbraw/zinc/30/91/76/314309176.db2.gz RNDZPYSYYORIJX-AWEZNQCLSA-N 2 1 264.413 2.132 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1C ZINC000576766451 314309178 /nfs/dbraw/zinc/30/91/78/314309178.db2.gz RNDZPYSYYORIJX-AWEZNQCLSA-N 2 1 264.413 2.132 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1ccccc1OCC(F)(F)F ZINC000576874579 314318568 /nfs/dbraw/zinc/31/85/68/314318568.db2.gz WJLKEUMDGFRHIX-UHFFFAOYSA-N 2 1 276.302 2.408 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1ccccc1OCC(F)(F)F ZINC000576874579 314318569 /nfs/dbraw/zinc/31/85/69/314318569.db2.gz WJLKEUMDGFRHIX-UHFFFAOYSA-N 2 1 276.302 2.408 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000576884775 314319781 /nfs/dbraw/zinc/31/97/81/314319781.db2.gz LMUCMPUCTQLEMK-KFWWJZLASA-N 2 1 270.461 2.494 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(Br)cn1 ZINC000578013395 314436717 /nfs/dbraw/zinc/43/67/17/314436717.db2.gz OVWFISWVMUIFQG-RKDXNWHRSA-N 2 1 272.190 2.060 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183653593 321721186 /nfs/dbraw/zinc/72/11/86/321721186.db2.gz MXQJXRDSVNLKOP-OCCSQVGLSA-N 2 1 251.374 2.129 20 0 CEADMP CC(C)C1CCC([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000580553759 322325820 /nfs/dbraw/zinc/32/58/20/322325820.db2.gz DZILUSNPZHRORG-XUJLQICISA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)C1CCC([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000580553759 322325822 /nfs/dbraw/zinc/32/58/22/322325822.db2.gz DZILUSNPZHRORG-XUJLQICISA-N 2 1 268.445 2.246 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)CC[NH2+]1 ZINC000580701945 322336797 /nfs/dbraw/zinc/33/67/97/322336797.db2.gz RNTMTOXOLDPNGV-AGIUHOORSA-N 2 1 294.361 2.418 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(C)ncc1C ZINC000584137348 327048339 /nfs/dbraw/zinc/04/83/39/327048339.db2.gz LUASNGPYFJIUFE-AWEZNQCLSA-N 2 1 292.427 2.362 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000562744348 327512102 /nfs/dbraw/zinc/51/21/02/327512102.db2.gz ZQTYJXNECSSYRA-MNOVXSKESA-N 2 1 254.324 2.443 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC1(C)C ZINC000623361115 500778407 /nfs/dbraw/zinc/77/84/07/500778407.db2.gz NOBQNISWQFYTAO-SOUVJXGZSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000623361115 500778410 /nfs/dbraw/zinc/77/84/10/500778410.db2.gz NOBQNISWQFYTAO-SOUVJXGZSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000623361115 500778412 /nfs/dbraw/zinc/77/84/12/500778412.db2.gz NOBQNISWQFYTAO-SOUVJXGZSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC[N@H+]1C ZINC000178815619 533893006 /nfs/dbraw/zinc/89/30/06/533893006.db2.gz FUWWADVPETVVTQ-FPCVCCKLSA-N 2 1 295.471 2.225 20 0 CEADMP CC(C)OC[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000369362470 519772768 /nfs/dbraw/zinc/77/27/68/519772768.db2.gz LLCDDGGCXNHPAY-NFOMZHRRSA-N 2 1 254.418 2.406 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000366074298 521717982 /nfs/dbraw/zinc/71/79/82/521717982.db2.gz RFVIGROZBCKSEN-OWCLPIDISA-N 2 1 290.455 2.378 20 0 CEADMP COCC[C@@H](C)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000163529413 521797495 /nfs/dbraw/zinc/79/74/95/521797495.db2.gz QDZBYUICNJKIAY-CQSZACIVSA-N 2 1 277.412 2.373 20 0 CEADMP COC(=O)c1cccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000156776797 522207222 /nfs/dbraw/zinc/20/72/22/522207222.db2.gz FBESXRKEGFYYCO-HNNXBMFYSA-N 2 1 278.396 2.278 20 0 CEADMP Cc1cc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc[nH+]1 ZINC000364910972 526111239 /nfs/dbraw/zinc/11/12/39/526111239.db2.gz WQIVBJINCFLKSX-YOEHRIQHSA-N 2 1 299.422 2.040 20 0 CEADMP c1c[nH]c([C@@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000363478097 526409262 /nfs/dbraw/zinc/40/92/62/526409262.db2.gz GTMPIBXLZZVBQK-CQSZACIVSA-N 2 1 262.401 2.075 20 0 CEADMP c1c[nH]c([C@@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000363478097 526409267 /nfs/dbraw/zinc/40/92/67/526409267.db2.gz GTMPIBXLZZVBQK-CQSZACIVSA-N 2 1 262.401 2.075 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCSCc2ccccc2)C1 ZINC000261757101 527218560 /nfs/dbraw/zinc/21/85/60/527218560.db2.gz CRJIDTBBZBROMU-AWEZNQCLSA-N 2 1 250.411 2.200 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000174647335 527972649 /nfs/dbraw/zinc/97/26/49/527972649.db2.gz IUZYFEKQMUXREK-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCC[N@@H+](CCOCC[NH3+])CCc1cccc(F)c1 ZINC000357069018 528100706 /nfs/dbraw/zinc/10/07/06/528100706.db2.gz GLAVAOAECBCJPQ-UHFFFAOYSA-N 2 1 268.376 2.056 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357108417 528436372 /nfs/dbraw/zinc/43/63/72/528436372.db2.gz ULRHSVCVBFHLOI-GJZGRUSLSA-N 2 1 290.407 2.135 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357108417 528436378 /nfs/dbraw/zinc/43/63/78/528436378.db2.gz ULRHSVCVBFHLOI-GJZGRUSLSA-N 2 1 290.407 2.135 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC1(O)CCC1 ZINC000411632190 528862800 /nfs/dbraw/zinc/86/28/00/528862800.db2.gz PBWXKSSPBUOEFP-UHFFFAOYSA-N 2 1 279.428 2.463 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC1(O)CCC1 ZINC000411632190 528862802 /nfs/dbraw/zinc/86/28/02/528862802.db2.gz PBWXKSSPBUOEFP-UHFFFAOYSA-N 2 1 279.428 2.463 20 0 CEADMP C[C@@H](O)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000309756819 538741088 /nfs/dbraw/zinc/74/10/88/538741088.db2.gz XRRCVSKBQCHHST-WBVHZDCISA-N 2 1 276.424 2.211 20 0 CEADMP C[C@@H](O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309756819 538741095 /nfs/dbraw/zinc/74/10/95/538741095.db2.gz XRRCVSKBQCHHST-WBVHZDCISA-N 2 1 276.424 2.211 20 0 CEADMP C[C@@H](O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309756819 538741097 /nfs/dbraw/zinc/74/10/97/538741097.db2.gz XRRCVSKBQCHHST-WBVHZDCISA-N 2 1 276.424 2.211 20 0 CEADMP CCC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000310946914 538759358 /nfs/dbraw/zinc/75/93/58/538759358.db2.gz XYHSTNBLSSGNKI-LSDHHAIUSA-N 2 1 256.434 2.342 20 0 CEADMP CCC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000310946914 538759362 /nfs/dbraw/zinc/75/93/62/538759362.db2.gz XYHSTNBLSSGNKI-LSDHHAIUSA-N 2 1 256.434 2.342 20 0 CEADMP CCC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000310946914 538759372 /nfs/dbraw/zinc/75/93/72/538759372.db2.gz XYHSTNBLSSGNKI-LSDHHAIUSA-N 2 1 256.434 2.342 20 0 CEADMP C[C@H](CO)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000120831972 538867639 /nfs/dbraw/zinc/86/76/39/538867639.db2.gz UGWYATSGZAILSQ-JKSUJKDBSA-N 2 1 268.445 2.203 20 0 CEADMP C[C@H](C[N@H+](C)C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000727586504 574453289 /nfs/dbraw/zinc/45/32/89/574453289.db2.gz SHZFUPFOHOLKIR-NVXWUHKLSA-N 2 1 276.424 2.179 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000727586504 574453290 /nfs/dbraw/zinc/45/32/90/574453290.db2.gz SHZFUPFOHOLKIR-NVXWUHKLSA-N 2 1 276.424 2.179 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[NH+](C(C)C)CC1 ZINC000732284983 574617815 /nfs/dbraw/zinc/61/78/15/574617815.db2.gz LGFUIZZVOFPESQ-UHFFFAOYSA-N 2 1 297.487 2.441 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000732284983 574617816 /nfs/dbraw/zinc/61/78/16/574617816.db2.gz LGFUIZZVOFPESQ-UHFFFAOYSA-N 2 1 297.487 2.441 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000732284983 574617820 /nfs/dbraw/zinc/61/78/20/574617820.db2.gz LGFUIZZVOFPESQ-UHFFFAOYSA-N 2 1 297.487 2.441 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC[NH+](CC)CC1 ZINC000732275710 574617200 /nfs/dbraw/zinc/61/72/00/574617200.db2.gz IXPNEGMEWLSEHD-UHFFFAOYSA-N 2 1 297.487 2.347 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000748326997 575183338 /nfs/dbraw/zinc/18/33/38/575183338.db2.gz PDFBCXQNIWNDPL-CYBMUJFWSA-N 2 1 294.443 2.064 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCCO)C[C@@H]1C ZINC000750186073 575253817 /nfs/dbraw/zinc/25/38/17/575253817.db2.gz YDCXKFOOXCOFHN-LSDHHAIUSA-N 2 1 256.434 2.344 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCCO)C[C@@H]1C ZINC000750186073 575253818 /nfs/dbraw/zinc/25/38/18/575253818.db2.gz YDCXKFOOXCOFHN-LSDHHAIUSA-N 2 1 256.434 2.344 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCCO)C[C@@H]1C ZINC000750186073 575253820 /nfs/dbraw/zinc/25/38/20/575253820.db2.gz YDCXKFOOXCOFHN-LSDHHAIUSA-N 2 1 256.434 2.344 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cn1 ZINC000753627511 575332904 /nfs/dbraw/zinc/33/29/04/575332904.db2.gz YWRZYISIFURQDB-WFASDCNBSA-N 2 1 286.379 2.233 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CC2CCC3(CC2)OCCO3)CC1 ZINC000753731740 575337882 /nfs/dbraw/zinc/33/78/82/575337882.db2.gz JJAYHJVAUNRUOC-UHFFFAOYSA-N 2 1 296.455 2.336 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CC2CCC3(CC2)OCCO3)CC1 ZINC000753731740 575337884 /nfs/dbraw/zinc/33/78/84/575337884.db2.gz JJAYHJVAUNRUOC-UHFFFAOYSA-N 2 1 296.455 2.336 20 0 CEADMP Cc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)cnc1Cl ZINC000895298202 630085877 /nfs/dbraw/zinc/08/58/77/630085877.db2.gz UVVPCPOHUUBGKB-NSHDSACASA-N 2 1 255.793 2.473 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000948243672 614092898 /nfs/dbraw/zinc/09/28/98/614092898.db2.gz BXHIHKUSAUUDGU-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000948243672 614092900 /nfs/dbraw/zinc/09/29/00/614092900.db2.gz BXHIHKUSAUUDGU-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC000971683691 614274693 /nfs/dbraw/zinc/27/46/93/614274693.db2.gz XYHKJLZMPCZKAA-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971683691 614274697 /nfs/dbraw/zinc/27/46/97/614274697.db2.gz XYHKJLZMPCZKAA-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971683691 614274699 /nfs/dbraw/zinc/27/46/99/614274699.db2.gz XYHKJLZMPCZKAA-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)CC1(C)C ZINC000974573345 614393857 /nfs/dbraw/zinc/39/38/57/614393857.db2.gz CNEMXQFPGUJLIM-LSDHHAIUSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974573345 614393859 /nfs/dbraw/zinc/39/38/59/614393859.db2.gz CNEMXQFPGUJLIM-LSDHHAIUSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974573345 614393860 /nfs/dbraw/zinc/39/38/60/614393860.db2.gz CNEMXQFPGUJLIM-LSDHHAIUSA-N 2 1 295.471 2.094 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000971538554 614542349 /nfs/dbraw/zinc/54/23/49/614542349.db2.gz DXHPVPKDMFLZDE-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000957279117 614595595 /nfs/dbraw/zinc/59/55/95/614595595.db2.gz RQGHTFJMVZEFGP-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC)C1 ZINC000960818041 614648280 /nfs/dbraw/zinc/64/82/80/614648280.db2.gz MNARHJOVOGHCDI-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CC)C1 ZINC000960818041 614648281 /nfs/dbraw/zinc/64/82/81/614648281.db2.gz MNARHJOVOGHCDI-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CC)C1 ZINC000960818041 614648283 /nfs/dbraw/zinc/64/82/83/614648283.db2.gz MNARHJOVOGHCDI-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000948637539 614659968 /nfs/dbraw/zinc/65/99/68/614659968.db2.gz CIFMGHASAMECQC-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948755661 614992513 /nfs/dbraw/zinc/99/25/13/614992513.db2.gz HFNKILAFIVNYNU-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000951195763 614996163 /nfs/dbraw/zinc/99/61/63/614996163.db2.gz KUESARMYVBLIHO-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000951195763 614996164 /nfs/dbraw/zinc/99/61/64/614996164.db2.gz KUESARMYVBLIHO-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@@H+](CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)C(C)C ZINC000957689823 615018230 /nfs/dbraw/zinc/01/82/30/615018230.db2.gz GOXIZFXFEPASML-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(C)C ZINC000957689823 615018231 /nfs/dbraw/zinc/01/82/31/615018231.db2.gz GOXIZFXFEPASML-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(C)C ZINC000957689823 615018234 /nfs/dbraw/zinc/01/82/34/615018234.db2.gz GOXIZFXFEPASML-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H](C(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1)[NH+](C)C ZINC000981976470 615370284 /nfs/dbraw/zinc/37/02/84/615370284.db2.gz MKLOXLXHHIVVPT-HNNXBMFYSA-N 2 1 297.487 2.297 20 0 CEADMP CC[C@H](C(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1)[NH+](C)C ZINC000981438231 615600762 /nfs/dbraw/zinc/60/07/62/615600762.db2.gz MKLOXLXHHIVVPT-OAHLLOKOSA-N 2 1 297.487 2.297 20 0 CEADMP CC[C@H](C)C[N@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000981340350 615652760 /nfs/dbraw/zinc/65/27/60/615652760.db2.gz AGGSMFPNTWIJIW-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)C[NH+]1CCCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000981340350 615652763 /nfs/dbraw/zinc/65/27/63/615652763.db2.gz AGGSMFPNTWIJIW-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)C[NH+]1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000981340350 615652764 /nfs/dbraw/zinc/65/27/64/615652764.db2.gz AGGSMFPNTWIJIW-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000120322280 622648240 /nfs/dbraw/zinc/64/82/40/622648240.db2.gz VYPXURNRGMILLR-ILXRZTDVSA-N 2 1 255.450 2.035 20 0 CEADMP CN(C)C1(C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)CCC1 ZINC000097937328 622724049 /nfs/dbraw/zinc/72/40/49/622724049.db2.gz YOKQGVUNVZWAJI-UHFFFAOYSA-N 2 1 287.451 2.248 20 0 CEADMP CN(C)C1(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CCC1 ZINC000097937328 622724054 /nfs/dbraw/zinc/72/40/54/622724054.db2.gz YOKQGVUNVZWAJI-UHFFFAOYSA-N 2 1 287.451 2.248 20 0 CEADMP C[C@@H]1OC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)[C@@H]1C ZINC000926637127 625590757 /nfs/dbraw/zinc/59/07/57/625590757.db2.gz ZLLCWOYEVPTVCZ-QKGUJMCYSA-N 2 1 288.435 2.345 20 0 CEADMP C[NH+](CCCCCCO)CC[C@@H]1CCCC[N@@H+]1C ZINC000175776013 622863008 /nfs/dbraw/zinc/86/30/08/622863008.db2.gz PAQLGRVWVLVCTM-HNNXBMFYSA-N 2 1 256.434 2.345 20 0 CEADMP C[NH+](CCCCCCO)CC[C@@H]1CCCC[N@H+]1C ZINC000175776013 622863015 /nfs/dbraw/zinc/86/30/15/622863015.db2.gz PAQLGRVWVLVCTM-HNNXBMFYSA-N 2 1 256.434 2.345 20 0 CEADMP C[N@@H+](CCCCCCO)CC[C@@H]1CCCC[NH+]1C ZINC000175776013 622863000 /nfs/dbraw/zinc/86/30/00/622863000.db2.gz PAQLGRVWVLVCTM-HNNXBMFYSA-N 2 1 256.434 2.345 20 0 CEADMP Cc1cc(NCCC[N@H+]2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000046479001 623278042 /nfs/dbraw/zinc/27/80/42/623278042.db2.gz BHZBDCLRIHXNDV-UHFFFAOYSA-N 2 1 297.406 2.228 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000050245380 623373166 /nfs/dbraw/zinc/37/31/66/623373166.db2.gz TVUPGIVDGJLUEX-JTQLQIEISA-N 2 1 256.296 2.069 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000050245380 623373170 /nfs/dbraw/zinc/37/31/70/623373170.db2.gz TVUPGIVDGJLUEX-JTQLQIEISA-N 2 1 256.296 2.069 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261690863 623429276 /nfs/dbraw/zinc/42/92/76/623429276.db2.gz AYLCAXRVDWYXSN-UHFFFAOYSA-N 2 1 284.407 2.218 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000308341191 623666695 /nfs/dbraw/zinc/66/66/95/623666695.db2.gz INXDUQNXTWOPJP-VHDGCEQUSA-N 2 1 264.413 2.018 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C12CCC2 ZINC000308370784 623676299 /nfs/dbraw/zinc/67/62/99/623676299.db2.gz PREOFTVHJVCHMZ-BFHYXJOUSA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C12CCC2 ZINC000308370784 623676304 /nfs/dbraw/zinc/67/63/04/623676304.db2.gz PREOFTVHJVCHMZ-BFHYXJOUSA-N 2 1 254.418 2.262 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933731445 623981214 /nfs/dbraw/zinc/98/12/14/623981214.db2.gz ADSSHDBEMNMBBW-HRCADAONSA-N 2 1 268.445 2.201 20 0 CEADMP C[N@H+]1C[C@@H]2CN(C[C@@H]3CC3(Cl)Cl)C[C@]2(C)C1 ZINC000933748871 623990786 /nfs/dbraw/zinc/99/07/86/623990786.db2.gz VWPNFYRPEJXHHU-AXFHLTTASA-N 2 1 263.212 2.064 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC([NH3+])(CC)CC1 ZINC000891901500 624081890 /nfs/dbraw/zinc/08/18/90/624081890.db2.gz IUCLDYFWHJBGSH-AWEZNQCLSA-N 2 1 298.475 2.020 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000892034730 624263161 /nfs/dbraw/zinc/26/31/61/624263161.db2.gz TUOKCABIEAPNPM-HNNXBMFYSA-N 2 1 290.407 2.165 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000892034730 624263163 /nfs/dbraw/zinc/26/31/63/624263163.db2.gz TUOKCABIEAPNPM-HNNXBMFYSA-N 2 1 290.407 2.165 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@]1(C)C1CC1 ZINC000934478554 624527326 /nfs/dbraw/zinc/52/73/26/624527326.db2.gz VXZZHMPXCIHRSM-MRXNPFEDSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@]1(C)C1CC1 ZINC000934478554 624527331 /nfs/dbraw/zinc/52/73/31/624527331.db2.gz VXZZHMPXCIHRSM-MRXNPFEDSA-N 2 1 277.412 2.473 20 0 CEADMP CCCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091847099 625056323 /nfs/dbraw/zinc/05/63/23/625056323.db2.gz UNQYNYIHRVNXCI-WLYUNCDWSA-N 2 1 283.460 2.273 20 0 CEADMP C[C@H]1CC2(CC([NH2+]CC[C@H]3CCC[N@@H+](C)C3)C2)CO1 ZINC000926571833 625135988 /nfs/dbraw/zinc/13/59/88/625135988.db2.gz DLHQDOZJGPWDAO-QRNKSROTSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nnc(C2CC2)s1 ZINC000892509759 625739600 /nfs/dbraw/zinc/73/96/00/625739600.db2.gz CYPJIEAQKGCJTF-SNVBAGLBSA-N 2 1 291.424 2.346 20 0 CEADMP CCn1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c(C)n1 ZINC000892532107 625912835 /nfs/dbraw/zinc/91/28/35/625912835.db2.gz IWNKJANGOOZWBK-UHFFFAOYSA-N 2 1 278.444 2.421 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]C(C)C ZINC001024979377 625936213 /nfs/dbraw/zinc/93/62/13/625936213.db2.gz QEDGZRNEESTNBQ-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H](C[NH2+]C1CCC(C)(O)CC1)[NH+]1CCCC1 ZINC000892554226 625964683 /nfs/dbraw/zinc/96/46/83/625964683.db2.gz BRBKWLYFWRZMKX-SHARSMKWSA-N 2 1 254.418 2.144 20 0 CEADMP Cc1nnc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000892585222 627292006 /nfs/dbraw/zinc/29/20/06/627292006.db2.gz RNWYUTGFXHECAA-GFCCVEGCSA-N 2 1 282.457 2.448 20 0 CEADMP Cc1nnc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)s1 ZINC000892585222 627292009 /nfs/dbraw/zinc/29/20/09/627292009.db2.gz RNWYUTGFXHECAA-GFCCVEGCSA-N 2 1 282.457 2.448 20 0 CEADMP Cc1nnc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000892585222 627292013 /nfs/dbraw/zinc/29/20/13/627292013.db2.gz RNWYUTGFXHECAA-GFCCVEGCSA-N 2 1 282.457 2.448 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H]1COC(C)(C)O1 ZINC000892585437 627292023 /nfs/dbraw/zinc/29/20/23/627292023.db2.gz UNTOWBXUEFELDM-CABCVRRESA-N 2 1 284.444 2.382 20 0 CEADMP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001025058410 627299716 /nfs/dbraw/zinc/29/97/16/627299716.db2.gz IRLUPZBSBGRWGA-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C2CC2)n1 ZINC000892608994 627307096 /nfs/dbraw/zinc/30/70/96/627307096.db2.gz UBDCMXWQGITGNF-CABCVRRESA-N 2 1 274.412 2.014 20 0 CEADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C2CC2)n1 ZINC000892608994 627307099 /nfs/dbraw/zinc/30/70/99/627307099.db2.gz UBDCMXWQGITGNF-CABCVRRESA-N 2 1 274.412 2.014 20 0 CEADMP Cn1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C1CC1 ZINC000892608609 627307905 /nfs/dbraw/zinc/30/79/05/627307905.db2.gz RKIFEASWORKMGN-HUUCEWRRSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C1CC1 ZINC000892608609 627307907 /nfs/dbraw/zinc/30/79/07/627307907.db2.gz RKIFEASWORKMGN-HUUCEWRRSA-N 2 1 274.412 2.014 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000892613997 627311584 /nfs/dbraw/zinc/31/15/84/627311584.db2.gz OLHBCVDXKRSXCM-ZDUSSCGKSA-N 2 1 268.351 2.439 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]C(C)C ZINC001025168677 627365954 /nfs/dbraw/zinc/36/59/54/627365954.db2.gz SPMSFSQXCMZUMD-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2C2CC2)C1 ZINC000892667934 627375424 /nfs/dbraw/zinc/37/54/24/627375424.db2.gz DRACWHQVWZRYGA-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2C2CC2)C1 ZINC000892667934 627375427 /nfs/dbraw/zinc/37/54/27/627375427.db2.gz DRACWHQVWZRYGA-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902345524 634584582 /nfs/dbraw/zinc/58/45/82/634584582.db2.gz DMZRDKZIRMTWIX-KGLIPLIRSA-N 2 1 255.450 2.085 20 0 CEADMP Cc1noc(C)c1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166123742 627632350 /nfs/dbraw/zinc/63/23/50/627632350.db2.gz WXLZVHXJSSVASX-BXUZGUMPSA-N 2 1 265.401 2.296 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000926862011 627845435 /nfs/dbraw/zinc/84/54/35/627845435.db2.gz WBPXNOOWNHKWDA-PEUVFPKISA-N 2 1 264.413 2.018 20 0 CEADMP CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000118760658 627919613 /nfs/dbraw/zinc/91/96/13/627919613.db2.gz MBAWCWAGEBGEBR-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358980 634614427 /nfs/dbraw/zinc/61/44/27/634614427.db2.gz APELTGZFLDUKKQ-HIFRSBDPSA-N 3 1 278.444 2.195 20 0 CEADMP COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000893038791 627959418 /nfs/dbraw/zinc/95/94/18/627959418.db2.gz RLDJDGQLBMUVTB-OKILXGFUSA-N 2 1 296.411 2.267 20 0 CEADMP [NH3+]C1(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000902408244 634623981 /nfs/dbraw/zinc/62/39/81/634623981.db2.gz YMLLHFQVHAVLOM-NSHDSACASA-N 2 1 295.224 2.387 20 0 CEADMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])NC2CCCCCC2)C1 ZINC000092277362 628095018 /nfs/dbraw/zinc/09/50/18/628095018.db2.gz HQEZIIBTGLKFND-AWEZNQCLSA-N 2 1 280.460 2.345 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000893200335 628123278 /nfs/dbraw/zinc/12/32/78/628123278.db2.gz NWNJGOHYMBQQGN-CABCVRRESA-N 2 1 284.444 2.096 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000902393390 634632456 /nfs/dbraw/zinc/63/24/56/634632456.db2.gz QMKDJNZNRWINFG-JYJNAYRXSA-N 2 1 279.472 2.371 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000902393390 634632459 /nfs/dbraw/zinc/63/24/59/634632459.db2.gz QMKDJNZNRWINFG-JYJNAYRXSA-N 2 1 279.472 2.371 20 0 CEADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2([NH3+])CC2)c2ccccc21 ZINC000902404165 634639665 /nfs/dbraw/zinc/63/96/65/634639665.db2.gz COEOSSZXGGLOJC-GJZGRUSLSA-N 2 1 288.391 2.249 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc2c(c1)COC2 ZINC000925567095 628240339 /nfs/dbraw/zinc/24/03/39/628240339.db2.gz NKFQZVNGCDOURF-VMZNBEPHSA-N 2 1 272.392 2.147 20 0 CEADMP Cn1nc(C2CC2)cc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902405385 634641306 /nfs/dbraw/zinc/64/13/06/634641306.db2.gz MWMGHASZVMKUFY-ZDUSSCGKSA-N 2 1 276.428 2.165 20 0 CEADMP COC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000925580759 628258879 /nfs/dbraw/zinc/25/88/79/628258879.db2.gz MLYJZKUOULQRHM-CQSZACIVSA-N 2 1 291.395 2.138 20 0 CEADMP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925628400 628323544 /nfs/dbraw/zinc/32/35/44/628323544.db2.gz FFRCYAPKPVHSRJ-ILXRZTDVSA-N 2 1 292.423 2.440 20 0 CEADMP C[C@H]([NH3+])[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000925630456 628325524 /nfs/dbraw/zinc/32/55/24/628325524.db2.gz BTAHHLSSGIZCCB-GOEBONIOSA-N 3 1 275.440 2.396 20 0 CEADMP C[C@H]([NH3+])[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000925630456 628325526 /nfs/dbraw/zinc/32/55/26/628325526.db2.gz BTAHHLSSGIZCCB-GOEBONIOSA-N 2 1 275.440 2.396 20 0 CEADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000925636108 628333110 /nfs/dbraw/zinc/33/31/10/628333110.db2.gz QRBPGARHQDREHW-RDJZCZTQSA-N 2 1 287.451 2.381 20 0 CEADMP C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000925653043 628357929 /nfs/dbraw/zinc/35/79/29/628357929.db2.gz VHBLNYRBULUAHK-HOTGVXAUSA-N 2 1 277.456 2.268 20 0 CEADMP OC[C@]1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)C[C@H]1c1ccccc1 ZINC000925669196 628451037 /nfs/dbraw/zinc/45/10/37/628451037.db2.gz QLKXECPVSHGMQY-GVDBMIGSSA-N 2 1 286.419 2.027 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH2+]C12CCCC2 ZINC000925676652 628465006 /nfs/dbraw/zinc/46/50/06/628465006.db2.gz OOYKDKPFVMNHOQ-CABCVRRESA-N 2 1 267.461 2.371 20 0 CEADMP Cc1ccc2c(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)cc(=O)oc2c1 ZINC000094342070 628489815 /nfs/dbraw/zinc/48/98/15/628489815.db2.gz UTBUAYLNVNYRKJ-DOMZBBRYSA-N 2 1 286.375 2.271 20 0 CEADMP Cc1ccc2c(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)cc(=O)oc2c1 ZINC000094342070 628489819 /nfs/dbraw/zinc/48/98/19/628489819.db2.gz UTBUAYLNVNYRKJ-DOMZBBRYSA-N 2 1 286.375 2.271 20 0 CEADMP c1cc([C@@H]2C[C@@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)CCO2)ccn1 ZINC000925694224 628516495 /nfs/dbraw/zinc/51/64/95/628516495.db2.gz UAVQLYNFFQOHMH-HRCADAONSA-N 2 1 287.407 2.176 20 0 CEADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2NCCc3ccccc32)C1 ZINC000925699997 628536435 /nfs/dbraw/zinc/53/64/35/628536435.db2.gz MPHYNLPTEAZYIU-INMHGKMJSA-N 2 1 287.451 2.369 20 0 CEADMP C[NH+](C)C1(C)CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000931355656 628539626 /nfs/dbraw/zinc/53/96/26/628539626.db2.gz UQKHLVNGNKOAKS-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(C)C ZINC000902472244 634664401 /nfs/dbraw/zinc/66/44/01/634664401.db2.gz ZKQGZZTWYLGLPF-NJVJYBDUSA-N 2 1 266.429 2.309 20 0 CEADMP COC1CC(CC[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])C1 ZINC000925714449 628570928 /nfs/dbraw/zinc/57/09/28/628570928.db2.gz RGDWDHQUAHPSKM-FKFRUQKQSA-N 2 1 262.397 2.480 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[NH2+][C@@H]3C)C2)cc1 ZINC000925723497 628607629 /nfs/dbraw/zinc/60/76/29/628607629.db2.gz WOIMZTCTJLENGN-BPQIPLTHSA-N 2 1 287.451 2.299 20 0 CEADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000925726457 628641541 /nfs/dbraw/zinc/64/15/41/628641541.db2.gz IIGHQSXNQUUOJB-LZDOMEQBSA-N 3 1 273.424 2.195 20 0 CEADMP C[C@H]([NH3+])[C@@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000925726457 628641542 /nfs/dbraw/zinc/64/15/42/628641542.db2.gz IIGHQSXNQUUOJB-LZDOMEQBSA-N 2 1 273.424 2.195 20 0 CEADMP COCCOC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488481 628648930 /nfs/dbraw/zinc/64/89/30/628648930.db2.gz RJMIXEIWTAPORB-XHSDSOJGSA-N 2 1 298.471 2.281 20 0 CEADMP CC1(C)C[C@]1(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000925732494 628686353 /nfs/dbraw/zinc/68/63/53/628686353.db2.gz BYIYZDXAQGCMQK-KNCOVGOOSA-N 2 1 266.429 2.169 20 0 CEADMP C[N@H+](CCc1ccccc1F)CC[C@@H]1CC[NH2+]C1 ZINC000258967319 628785623 /nfs/dbraw/zinc/78/56/23/628785623.db2.gz KATUUPMHGGDVMV-ZDUSSCGKSA-N 2 1 250.361 2.300 20 0 CEADMP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000925777808 628800839 /nfs/dbraw/zinc/80/08/39/628800839.db2.gz QPSAGRJNAIZIFE-YPMHNXCESA-N 2 1 269.339 2.285 20 0 CEADMP C1CC([C@@H]2CC[C@@H]2[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000925789582 628831858 /nfs/dbraw/zinc/83/18/58/628831858.db2.gz ABCFGKMPUDPSNK-PMPSAXMXSA-N 2 1 278.440 2.313 20 0 CEADMP C1CC12CCC([NH2+][C@@H]1C[NH2+]CC3(CCOCC3)C1)CC2 ZINC000925789848 628832847 /nfs/dbraw/zinc/83/28/47/628832847.db2.gz BZGSMMQBDFVISA-HNNXBMFYSA-N 2 1 278.440 2.458 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000317472550 628834237 /nfs/dbraw/zinc/83/42/37/628834237.db2.gz CPLCVXJUXPHUBA-PKOBYXMFSA-N 3 1 299.462 2.248 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000317472550 628834239 /nfs/dbraw/zinc/83/42/39/628834239.db2.gz CPLCVXJUXPHUBA-PKOBYXMFSA-N 3 1 299.462 2.248 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000317472550 628834245 /nfs/dbraw/zinc/83/42/45/628834245.db2.gz CPLCVXJUXPHUBA-PKOBYXMFSA-N 3 1 299.462 2.248 20 0 CEADMP C(C[C@@H]1CC[C@@H]2C[C@@H]21)[NH2+][C@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000925804477 628854598 /nfs/dbraw/zinc/85/45/98/628854598.db2.gz IISYQKMYFREJKS-MHKQFDIHSA-N 2 1 278.440 2.169 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)C2 ZINC000902463681 634683349 /nfs/dbraw/zinc/68/33/49/634683349.db2.gz AUGQNDGYUMFFMY-WMHQRMGPSA-N 2 1 272.392 2.035 20 0 CEADMP CC[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cccc(OC)n1 ZINC000925814424 628869267 /nfs/dbraw/zinc/86/92/67/628869267.db2.gz LEFZCRFDYRQYAK-STQMWFEESA-N 2 1 286.379 2.342 20 0 CEADMP C(Cc1nc2c(s1)CCC2)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925832011 628926368 /nfs/dbraw/zinc/92/63/68/628926368.db2.gz QKDOYPYAHFQVOW-CQSZACIVSA-N 2 1 291.464 2.439 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C1CCCCCCC1 ZINC000821362572 634696450 /nfs/dbraw/zinc/69/64/50/634696450.db2.gz LOMJRFDOKWRLFU-HNNXBMFYSA-N 2 1 256.434 2.344 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CCCCCCC1 ZINC000821362572 634696452 /nfs/dbraw/zinc/69/64/52/634696452.db2.gz LOMJRFDOKWRLFU-HNNXBMFYSA-N 2 1 256.434 2.344 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C1CCCCCCC1 ZINC000821362572 634696453 /nfs/dbraw/zinc/69/64/53/634696453.db2.gz LOMJRFDOKWRLFU-HNNXBMFYSA-N 2 1 256.434 2.344 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CCCCCCC1 ZINC000821362572 634696454 /nfs/dbraw/zinc/69/64/54/634696454.db2.gz LOMJRFDOKWRLFU-HNNXBMFYSA-N 2 1 256.434 2.344 20 0 CEADMP C[C@H]([NH2+]CCCOc1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000902517909 634711350 /nfs/dbraw/zinc/71/13/50/634711350.db2.gz OOAHTQHATJISJZ-WFASDCNBSA-N 2 1 266.360 2.325 20 0 CEADMP CC[N@H+]1CCC[C@H](CNCc2cnc3onc(C)c3c2)C1 ZINC000894210820 629228579 /nfs/dbraw/zinc/22/85/79/629228579.db2.gz KAWFPGIXAUOPRL-CYBMUJFWSA-N 2 1 288.395 2.353 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3onc(C)c3c2)C1 ZINC000894210820 629228583 /nfs/dbraw/zinc/22/85/83/629228583.db2.gz KAWFPGIXAUOPRL-CYBMUJFWSA-N 2 1 288.395 2.353 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3onc(C)c3c2)C1 ZINC000894210820 629228586 /nfs/dbraw/zinc/22/85/86/629228586.db2.gz KAWFPGIXAUOPRL-CYBMUJFWSA-N 2 1 288.395 2.353 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCCOC1 ZINC000679574331 629246635 /nfs/dbraw/zinc/24/66/35/629246635.db2.gz HKQWBHXWXWLCEI-YQQAZPJKSA-N 2 1 296.455 2.035 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000894242155 629248693 /nfs/dbraw/zinc/24/86/93/629248693.db2.gz TYAGVXGXCVKMDX-KGLIPLIRSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000924948906 629286361 /nfs/dbraw/zinc/28/63/61/629286361.db2.gz FHOQCMRAVUQSEK-BMFZPTHFSA-N 2 1 279.428 2.478 20 0 CEADMP CCn1nc(C)c([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)n1 ZINC000924954468 629291756 /nfs/dbraw/zinc/29/17/56/629291756.db2.gz WJGLTWLDEFANKD-NWDGAFQWSA-N 2 1 290.415 2.098 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnnc2)C1 ZINC000924959187 629297320 /nfs/dbraw/zinc/29/73/20/629297320.db2.gz IKLVEOYSVLHHEJ-UONOGXRCSA-N 2 1 262.401 2.248 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnnc2)C1 ZINC000924959187 629297323 /nfs/dbraw/zinc/29/73/23/629297323.db2.gz IKLVEOYSVLHHEJ-UONOGXRCSA-N 2 1 262.401 2.248 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925023634 629370967 /nfs/dbraw/zinc/37/09/67/629370967.db2.gz NPGXNDDEAAFNAZ-VVLHAWIVSA-N 2 1 278.440 2.168 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261949698 629382319 /nfs/dbraw/zinc/38/23/19/629382319.db2.gz NSCRWJISEIJBTH-NSHDSACASA-N 2 1 276.409 2.309 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261949698 629382327 /nfs/dbraw/zinc/38/23/27/629382327.db2.gz NSCRWJISEIJBTH-NSHDSACASA-N 2 1 276.409 2.309 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261956163 629391218 /nfs/dbraw/zinc/39/12/18/629391218.db2.gz OQNVKTDHUKGJLT-AWEZNQCLSA-N 2 1 284.407 2.176 20 0 CEADMP C[C@@H](C[NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000894378508 629410435 /nfs/dbraw/zinc/41/04/35/629410435.db2.gz UFLQZIGLLSEZDT-KRWDZBQOSA-N 2 1 289.467 2.407 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2cnn(C)c2)s1 ZINC000261999540 629420830 /nfs/dbraw/zinc/42/08/30/629420830.db2.gz TZYRIRBOGYRINV-NEPJUHHUSA-N 2 1 290.436 2.318 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)C[C@@H]1C[C@]1(C)Br ZINC000894472742 629476909 /nfs/dbraw/zinc/47/69/09/629476909.db2.gz VUWFZIFDSUQUGB-RYUDHWBXSA-N 2 1 277.250 2.434 20 0 CEADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(O)c(F)c2)C1 ZINC000894497323 629492133 /nfs/dbraw/zinc/49/21/33/629492133.db2.gz XECMIULGRQNWCR-HIFRSBDPSA-N 2 1 278.371 2.447 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(O)c(F)c2)C1 ZINC000894497323 629492136 /nfs/dbraw/zinc/49/21/36/629492136.db2.gz XECMIULGRQNWCR-HIFRSBDPSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(O)c(F)c2)C1 ZINC000894497323 629492139 /nfs/dbraw/zinc/49/21/39/629492139.db2.gz XECMIULGRQNWCR-HIFRSBDPSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(O)c(F)c2)C1 ZINC000894497323 629492140 /nfs/dbraw/zinc/49/21/40/629492140.db2.gz XECMIULGRQNWCR-HIFRSBDPSA-N 2 1 278.371 2.447 20 0 CEADMP COC(=O)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(C)C ZINC000894537391 629519286 /nfs/dbraw/zinc/51/92/86/629519286.db2.gz RZPRVDGKSHBNTL-AVOUXACISA-N 2 1 282.428 2.037 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)n2c1 ZINC000262067328 629666256 /nfs/dbraw/zinc/66/62/56/629666256.db2.gz RRZZPWJVNTWAMA-UHFFFAOYSA-N 2 1 284.407 2.218 20 0 CEADMP O=c1cc[nH]c2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc12 ZINC000895205284 630033042 /nfs/dbraw/zinc/03/30/42/630033042.db2.gz POOUWKJMNFVSLT-HUUCEWRRSA-N 2 1 297.402 2.245 20 0 CEADMP O=c1cc[nH]c2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc12 ZINC000895205284 630033045 /nfs/dbraw/zinc/03/30/45/630033045.db2.gz POOUWKJMNFVSLT-HUUCEWRRSA-N 2 1 297.402 2.245 20 0 CEADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]CC[C@H](C)[NH+](C)C)c1C ZINC000895290048 630082201 /nfs/dbraw/zinc/08/22/01/630082201.db2.gz CBBSVYPNADLJFB-NSHDSACASA-N 2 1 295.427 2.238 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000797113581 630135742 /nfs/dbraw/zinc/13/57/42/630135742.db2.gz DGZMPWPQWLXIGD-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000797113581 630135745 /nfs/dbraw/zinc/13/57/45/630135745.db2.gz DGZMPWPQWLXIGD-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1[nH]nc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1C ZINC000895440479 630191308 /nfs/dbraw/zinc/19/13/08/630191308.db2.gz RXKVXQOOVITZLQ-UHFFFAOYSA-N 2 1 276.428 2.334 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000895542240 630243238 /nfs/dbraw/zinc/24/32/38/630243238.db2.gz VMDCJHTXTGOCLB-CYBMUJFWSA-N 2 1 295.471 2.285 20 0 CEADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCC[C@@H](C)C1 ZINC000895729647 630319075 /nfs/dbraw/zinc/31/90/75/630319075.db2.gz KEUPCLDPDJIYOL-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCC[C@@H](C)C1 ZINC000895729647 630319078 /nfs/dbraw/zinc/31/90/78/630319078.db2.gz KEUPCLDPDJIYOL-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](CNC(=O)[C@H]1CC[NH+]1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000895729647 630319081 /nfs/dbraw/zinc/31/90/81/630319081.db2.gz KEUPCLDPDJIYOL-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](CNC(=O)[C@H]1CC[NH+]1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000895729647 630319083 /nfs/dbraw/zinc/31/90/83/630319083.db2.gz KEUPCLDPDJIYOL-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CC[C@H]2CN(Cc3nccc4c3CCCC4)CC[C@@H]21 ZINC000895844605 630368146 /nfs/dbraw/zinc/36/81/46/630368146.db2.gz SBEGLIBWRYRHIC-YJBOKZPZSA-N 2 1 285.435 2.486 20 0 CEADMP CCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896022693 630440860 /nfs/dbraw/zinc/44/08/60/630440860.db2.gz ZEDRGUWAVDHBFQ-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000902783051 634827174 /nfs/dbraw/zinc/82/71/74/634827174.db2.gz VBIJJRDYCZYGBR-BBRMVZONSA-N 2 1 285.391 2.421 20 0 CEADMP C[NH+](C)CC[C@H](NCCC[C@@H]1CCO1)c1cccnc1 ZINC000896717642 630648652 /nfs/dbraw/zinc/64/86/52/630648652.db2.gz UNLIMNFELOGMBA-CVEARBPZSA-N 2 1 277.412 2.233 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000054239767 630695840 /nfs/dbraw/zinc/69/58/40/630695840.db2.gz CNWWDPLHMUEOHS-OAHLLOKOSA-N 3 1 267.461 2.182 20 0 CEADMP CCO[C@@H](C[NH2+][C@H](C)CCc1ccc(O)cc1)C[NH+](C)C ZINC000896880131 630699084 /nfs/dbraw/zinc/69/90/84/630699084.db2.gz OEPXHXLRRDVDTN-PBHICJAKSA-N 2 1 294.439 2.270 20 0 CEADMP CCO[C@@H](C[NH2+]CCc1ccc(C)cc1)C[NH+](C)C ZINC000896880088 630699153 /nfs/dbraw/zinc/69/91/53/630699153.db2.gz NERDUGQELIHMGZ-INIZCTEOSA-N 2 1 264.413 2.094 20 0 CEADMP CCO[C@H](C[NH2+]C[C@@H](C)Cc1ccccc1)C[NH+](C)C ZINC000896880526 630699480 /nfs/dbraw/zinc/69/94/80/630699480.db2.gz XBFNEMZFNUFWQW-DOTOQJQBSA-N 2 1 278.440 2.422 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000798002512 630799884 /nfs/dbraw/zinc/79/98/84/630799884.db2.gz JIWONTUPNIRGTD-UKRRQHHQSA-N 2 1 254.418 2.144 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000897271604 631032235 /nfs/dbraw/zinc/03/22/35/631032235.db2.gz PBLDNWCPUPITDG-KRWDZBQOSA-N 2 1 280.456 2.467 20 0 CEADMP CCC[N@@H+](C)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC000985484459 631104077 /nfs/dbraw/zinc/10/40/77/631104077.db2.gz KQPQIFRTGUPFQM-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000985484459 631104081 /nfs/dbraw/zinc/10/40/81/631104081.db2.gz KQPQIFRTGUPFQM-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000985484459 631104086 /nfs/dbraw/zinc/10/40/86/631104086.db2.gz KQPQIFRTGUPFQM-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3nonc3c2)CC1 ZINC000897990828 632007774 /nfs/dbraw/zinc/00/77/74/632007774.db2.gz FBYUBWQBMPHYAY-UHFFFAOYSA-N 2 1 274.368 2.185 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCOC23CCCC3)s1 ZINC000898112610 632054146 /nfs/dbraw/zinc/05/41/46/632054146.db2.gz TXSOXHKMUDDELS-ZDUSSCGKSA-N 2 1 295.452 2.396 20 0 CEADMP COC(=O)CC1(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000866709711 632342653 /nfs/dbraw/zinc/34/26/53/632342653.db2.gz ZGVAYRLGSUAUJI-INIZCTEOSA-N 2 1 282.428 2.027 20 0 CEADMP Cn1c(Cl)nc(Cl)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000841058634 632361395 /nfs/dbraw/zinc/36/13/95/632361395.db2.gz UPADHPGUMAMCPP-YUMQZZPRSA-N 2 1 277.199 2.086 20 0 CEADMP CCO[C@H](C[NH2+]C1C[C@H]2CCC[C@@H]2C1)C[NH+](C)C ZINC000926963929 632391428 /nfs/dbraw/zinc/39/14/28/632391428.db2.gz VZGIOXUQQUIRGQ-UMVBOHGHSA-N 2 1 254.418 2.121 20 0 CEADMP CCO[C@@H](C[NH2+]C1CCC(C(F)F)CC1)C[NH+](C)C ZINC000926964859 632394599 /nfs/dbraw/zinc/39/45/99/632394599.db2.gz YHEOLVGYCUGTNI-BPCQOVAHSA-N 2 1 278.387 2.367 20 0 CEADMP COCC[N@@H+](C)CCCN[C@@H](C)c1cc(O)cc(F)c1 ZINC000924652770 632395259 /nfs/dbraw/zinc/39/52/59/632395259.db2.gz CEVGNOHRHMZVQO-LBPRGKRZSA-N 2 1 284.375 2.150 20 0 CEADMP CCO[C@H](CN[C@H]1CCc2ccccc21)C[NH+](C)C ZINC000926967023 632396946 /nfs/dbraw/zinc/39/69/46/632396946.db2.gz ZJIMXNDRDJOHAG-ZBFHGGJFSA-N 2 1 262.397 2.230 20 0 CEADMP COC[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC000927093205 632457966 /nfs/dbraw/zinc/45/79/66/632457966.db2.gz CVWPNKZKCOVFOI-RDJZCZTQSA-N 2 1 298.471 2.138 20 0 CEADMP CCc1onc(C)c1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000927140298 632571001 /nfs/dbraw/zinc/57/10/01/632571001.db2.gz QEGMVEQKEYCUEZ-PWSUYJOCSA-N 2 1 251.374 2.118 20 0 CEADMP C[C@H](CNC(=[NH2+])N[C@@H](C)C1CC1)[N@H+]1CCCC[C@@H]1C ZINC000899266945 632762455 /nfs/dbraw/zinc/76/24/55/632762455.db2.gz ZNJKEHVVYBVEME-XQQFMLRXSA-N 2 1 266.433 2.162 20 0 CEADMP [NH3+]C[C@@H](c1nc(C2([NH3+])CC2)no1)C1CCCCCC1 ZINC000900017451 633180633 /nfs/dbraw/zinc/18/06/33/633180633.db2.gz IBBFMJRHMDKVSZ-LLVKDONJSA-N 2 1 264.373 2.030 20 0 CEADMP CC(C)(C)c1ccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817894897 633756488 /nfs/dbraw/zinc/75/64/88/633756488.db2.gz SEWPGHWKBSOASL-HRCADAONSA-N 2 1 276.424 2.487 20 0 CEADMP C[C@@H]([NH2+]CCCOc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000817898584 633759626 /nfs/dbraw/zinc/75/96/26/633759626.db2.gz JMPNWUYCXKEHKC-OCCSQVGLSA-N 2 1 266.360 2.325 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)c1cccc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000817910010 633768455 /nfs/dbraw/zinc/76/84/55/633768455.db2.gz HHARSJZWERJLGH-HRCADAONSA-N 2 1 262.397 2.149 20 0 CEADMP CC[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000817916147 633775044 /nfs/dbraw/zinc/77/50/44/633775044.db2.gz AFBBWAWBECMTGE-JYJNAYRXSA-N 2 1 280.387 2.153 20 0 CEADMP C[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817917566 633776574 /nfs/dbraw/zinc/77/65/74/633776574.db2.gz OJCOMWVZOCYUJI-KBMXLJTQSA-N 2 1 274.408 2.230 20 0 CEADMP C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000817928363 633783777 /nfs/dbraw/zinc/78/37/77/633783777.db2.gz WCQRBZYAYOYOQA-OIISXLGYSA-N 2 1 276.424 2.100 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950601 633796406 /nfs/dbraw/zinc/79/64/06/633796406.db2.gz YRFOUPZGOXZVRO-DNVCBOLYSA-N 3 1 297.446 2.236 20 0 CEADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950601 633796408 /nfs/dbraw/zinc/79/64/08/633796408.db2.gz YRFOUPZGOXZVRO-DNVCBOLYSA-N 2 1 297.446 2.236 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(N2CCCC2=O)cc1 ZINC000817959404 633800873 /nfs/dbraw/zinc/80/08/73/633800873.db2.gz DFMVKOJZWRRVOV-LBPRGKRZSA-N 2 1 275.396 2.201 20 0 CEADMP CC(C)C[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)[NH+](C)C ZINC000900684284 633807628 /nfs/dbraw/zinc/80/76/28/633807628.db2.gz LZGPBWNZYCTESA-OAGGEKHMSA-N 2 1 295.471 2.096 20 0 CEADMP CCCCCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000819105401 634069930 /nfs/dbraw/zinc/06/99/30/634069930.db2.gz LDCYDJZLKKHBOR-KFWWJZLASA-N 2 1 256.434 2.390 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1cc(-c2cccs2)no1 ZINC000901388032 634084785 /nfs/dbraw/zinc/08/47/85/634084785.db2.gz QMUHMQGSZUWUQB-UHFFFAOYSA-N 2 1 251.355 2.184 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cc(-c2cccs2)no1 ZINC000901388032 634084789 /nfs/dbraw/zinc/08/47/89/634084789.db2.gz QMUHMQGSZUWUQB-UHFFFAOYSA-N 2 1 251.355 2.184 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccccc2F)C1 ZINC000819151596 634085302 /nfs/dbraw/zinc/08/53/02/634085302.db2.gz BWTHTWFTRPQUDH-PBHICJAKSA-N 2 1 294.414 2.427 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000819361596 634155023 /nfs/dbraw/zinc/15/50/23/634155023.db2.gz IYMKFABUNYAFOI-MRXNPFEDSA-N 2 1 280.387 2.323 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000819366081 634156950 /nfs/dbraw/zinc/15/69/50/634156950.db2.gz IHCBIBQOGJMGIN-DOTOQJQBSA-N 2 1 276.424 2.350 20 0 CEADMP C[C@H](O)CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000819444022 634183122 /nfs/dbraw/zinc/18/31/22/634183122.db2.gz DQJRHVRVIRRAAD-AWEZNQCLSA-N 2 1 291.439 2.257 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902799151 634838341 /nfs/dbraw/zinc/83/83/41/634838341.db2.gz AGHRROYZJPWCEI-INMHGKMJSA-N 2 1 280.456 2.392 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902829873 634845783 /nfs/dbraw/zinc/84/57/83/634845783.db2.gz HEJXLZVRGMHXGH-AALSBFMBSA-N 2 1 266.429 2.121 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902829873 634845788 /nfs/dbraw/zinc/84/57/88/634845788.db2.gz HEJXLZVRGMHXGH-AALSBFMBSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCO[C@]23CCOC3)C1 ZINC000903068313 634965375 /nfs/dbraw/zinc/96/53/75/634965375.db2.gz BNWUKJUELXVZRC-ZACQAIPSSA-N 2 1 296.455 2.036 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000903069650 634966031 /nfs/dbraw/zinc/96/60/31/634966031.db2.gz IURIYDVDQCDESD-UTQGOSHXSA-N 2 1 278.440 2.121 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[NH+]3CCC[C@@H]3C1)C2 ZINC000903071465 634966953 /nfs/dbraw/zinc/96/69/53/634966953.db2.gz BTXGCACKAYTNFN-FCDAJCOYSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000903071465 634966957 /nfs/dbraw/zinc/96/69/57/634966957.db2.gz BTXGCACKAYTNFN-FCDAJCOYSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000903071465 634966961 /nfs/dbraw/zinc/96/69/61/634966961.db2.gz BTXGCACKAYTNFN-FCDAJCOYSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[NH+]3CCC[C@@H]3C1)C2 ZINC000903071465 634966963 /nfs/dbraw/zinc/96/69/63/634966963.db2.gz BTXGCACKAYTNFN-FCDAJCOYSA-N 3 1 289.467 2.361 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[NH+]3CCC[C@@H]3C1)C2 ZINC000903071465 634966966 /nfs/dbraw/zinc/96/69/66/634966966.db2.gz BTXGCACKAYTNFN-FCDAJCOYSA-N 3 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000903071465 634966968 /nfs/dbraw/zinc/96/69/68/634966968.db2.gz BTXGCACKAYTNFN-FCDAJCOYSA-N 3 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000903071465 634966970 /nfs/dbraw/zinc/96/69/70/634966970.db2.gz BTXGCACKAYTNFN-FCDAJCOYSA-N 3 1 289.467 2.361 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCCOC1 ZINC000903071754 634966975 /nfs/dbraw/zinc/96/69/75/634966975.db2.gz AYSHNBLKKPMMEM-WYQXTGKHSA-N 2 1 264.413 2.160 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H](C)[C@H](C)[NH3+])n2)cn1 ZINC000822784905 634995730 /nfs/dbraw/zinc/99/57/30/634995730.db2.gz IKRMUWXIJPVNJZ-UWVGGRQHSA-N 2 1 298.350 2.076 20 0 CEADMP C[C@H](CCCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903178614 634999868 /nfs/dbraw/zinc/99/98/68/634999868.db2.gz XLQAWHIUINXYLK-WPXLMEDKSA-N 2 1 266.429 2.142 20 0 CEADMP C[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)O1 ZINC000903183150 635001547 /nfs/dbraw/zinc/00/15/47/635001547.db2.gz KZPGIYKMNSMDIS-SITCHJJWSA-N 2 1 264.413 2.301 20 0 CEADMP CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)COC1 ZINC000903187006 635012751 /nfs/dbraw/zinc/01/27/51/635012751.db2.gz PTAANCOLQSOUNI-LQDVMPOASA-N 2 1 264.413 2.160 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]23C[C@H]2COC32CCC2)[C@H]2CCC[C@@H]21 ZINC000903364197 635086228 /nfs/dbraw/zinc/08/62/28/635086228.db2.gz VUCKEJXVNCSFTI-BQJWPVKWSA-N 2 1 290.451 2.408 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000903432444 635114929 /nfs/dbraw/zinc/11/49/29/635114929.db2.gz BWGQPMPMSQJZBF-INWMFGNUSA-N 2 1 260.381 2.385 20 0 CEADMP COc1ccc2c(c1)CCC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)C2 ZINC000903434304 635115709 /nfs/dbraw/zinc/11/57/09/635115709.db2.gz BBHUASZSLDJATQ-CJNGLKHVSA-N 2 1 274.408 2.299 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903434536 635116057 /nfs/dbraw/zinc/11/60/57/635116057.db2.gz HORWLOBGEZYKSH-FZKCQIBNSA-N 2 1 295.471 2.131 20 0 CEADMP Cc1nc([C@H]2CCCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000903433201 635116131 /nfs/dbraw/zinc/11/61/31/635116131.db2.gz UQDQJHSMGGUXLU-FRRDWIJNSA-N 2 1 264.373 2.032 20 0 CEADMP Cc1nc([C@H]2CCCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000903433201 635116134 /nfs/dbraw/zinc/11/61/34/635116134.db2.gz UQDQJHSMGGUXLU-FRRDWIJNSA-N 2 1 264.373 2.032 20 0 CEADMP COc1ccc([C@H]2CC[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)cc1 ZINC000903435684 635116966 /nfs/dbraw/zinc/11/69/66/635116966.db2.gz VRBJBIRSQCJJAU-KBMXLJTQSA-N 2 1 274.408 2.340 20 0 CEADMP CC(C)[C@H](CO)[N@H+](Cc1ccccc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439551 635118817 /nfs/dbraw/zinc/11/88/17/635118817.db2.gz KHFAZGHIMWDCRD-NJAFHUGGSA-N 2 1 290.451 2.361 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)C1 ZINC000903441419 635120730 /nfs/dbraw/zinc/12/07/30/635120730.db2.gz RCJPBZUMMSBTRL-GOEBONIOSA-N 2 1 296.418 2.358 20 0 CEADMP C[N@@H+](CCC[NH3+])C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903425008 635123738 /nfs/dbraw/zinc/12/37/38/635123738.db2.gz OLMMVXXSNOHSIC-CHWSQXEVSA-N 2 1 254.324 2.316 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(F)c1F ZINC000903459538 635125468 /nfs/dbraw/zinc/12/54/68/635125468.db2.gz VLVXASGZELQYRO-VWYCJHECSA-N 2 1 254.324 2.471 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOC2CCSCC2)[C@H]2CCC[C@H]21 ZINC000903445890 635132199 /nfs/dbraw/zinc/13/21/99/635132199.db2.gz LLEMTWRHPGQVGQ-OWCLPIDISA-N 2 1 298.496 2.361 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C[C@H]21 ZINC000903447350 635132954 /nfs/dbraw/zinc/13/29/54/635132954.db2.gz PGDSTNSBWFMPPZ-YOVYLDAJSA-N 2 1 270.367 2.337 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCNC[C@@H]2c2cccc(Cl)c2)C1 ZINC000903453041 635137230 /nfs/dbraw/zinc/13/72/30/635137230.db2.gz XIFOAUJIKPBZCN-APHBMKBZSA-N 2 1 293.842 2.414 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCNC[C@@H]2c2cccc(Cl)c2)C1 ZINC000903453041 635137232 /nfs/dbraw/zinc/13/72/32/635137232.db2.gz XIFOAUJIKPBZCN-APHBMKBZSA-N 2 1 293.842 2.414 20 0 CEADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903457452 635140466 /nfs/dbraw/zinc/14/04/66/635140466.db2.gz SUUHCHLERRJTMV-HYVNUMGLSA-N 2 1 276.424 2.031 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903476731 635145920 /nfs/dbraw/zinc/14/59/20/635145920.db2.gz HPJACNSEXONQNY-FVCCEPFGSA-N 2 1 258.356 2.481 20 0 CEADMP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000903476526 635145986 /nfs/dbraw/zinc/14/59/86/635145986.db2.gz ZVFZKPWQJXHAAP-DYALRZPUSA-N 2 1 290.411 2.216 20 0 CEADMP c1ccc2c(c1)C[C@H](C[NH2+][C@H]1CC[NH2+]C13CCCC3)O2 ZINC000903483701 635150537 /nfs/dbraw/zinc/15/05/37/635150537.db2.gz KJEXJUKLRSXGEM-ZBFHGGJFSA-N 2 1 272.392 2.254 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903466449 635153224 /nfs/dbraw/zinc/15/32/24/635153224.db2.gz SZZNUFDTVBKWHF-OAHLLOKOSA-N 2 1 260.381 2.112 20 0 CEADMP C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000903566606 635164614 /nfs/dbraw/zinc/16/46/14/635164614.db2.gz WFQPGUCGSPFQPW-WMZOPIPTSA-N 2 1 287.451 2.160 20 0 CEADMP C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000903566142 635164668 /nfs/dbraw/zinc/16/46/68/635164668.db2.gz JNYVXLRAAYQNPJ-GDBMZVCRSA-N 2 1 262.397 2.230 20 0 CEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000903566065 635164841 /nfs/dbraw/zinc/16/48/41/635164841.db2.gz YXMVABZLTXQIBA-CHWSQXEVSA-N 2 1 291.464 2.421 20 0 CEADMP CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903725587 635238675 /nfs/dbraw/zinc/23/86/75/635238675.db2.gz DEANOLZQOQFXBP-CVEARBPZSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903725023 635238684 /nfs/dbraw/zinc/23/86/84/635238684.db2.gz VBSVCTCEKHQCTO-UGUYLWEFSA-N 2 1 266.429 2.266 20 0 CEADMP COc1ccc2c(c1)C[N@@H+](C[C@@H]1CCCC[NH2+]C1)CC2 ZINC000903726266 635238782 /nfs/dbraw/zinc/23/87/82/635238782.db2.gz LMGBLPPSEJBVCH-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP COc1ccc2c(c1)C[N@H+](C[C@@H]1CCCC[NH2+]C1)CC2 ZINC000903726266 635238784 /nfs/dbraw/zinc/23/87/84/635238784.db2.gz LMGBLPPSEJBVCH-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP CC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H](C)C(C)C ZINC000903726737 635239468 /nfs/dbraw/zinc/23/94/68/635239468.db2.gz NYOSATNKMOXXPO-ILXRZTDVSA-N 2 1 254.418 2.121 20 0 CEADMP CCC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C[C@@H]1CCCCO1 ZINC000903729717 635242106 /nfs/dbraw/zinc/24/21/06/635242106.db2.gz RFNZZIJZJUBLRU-ULQDDVLXSA-N 2 1 296.455 2.036 20 0 CEADMP C[N@@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)C1CC[NH2+]CC1 ZINC000903713349 635244653 /nfs/dbraw/zinc/24/46/53/635244653.db2.gz NXZGWTCGZSMKSC-NWDGAFQWSA-N 2 1 280.334 2.170 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903751727 635249096 /nfs/dbraw/zinc/24/90/96/635249096.db2.gz IMMOIJDNLQBVPC-UJPOAAIJSA-N 2 1 294.361 2.463 20 0 CEADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC2(C1)CCCCC2 ZINC000903734582 635250346 /nfs/dbraw/zinc/25/03/46/635250346.db2.gz SEARBWZSRQYVMO-DOTOQJQBSA-N 2 1 278.440 2.411 20 0 CEADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCCC[C@H]1C1CCC1 ZINC000903764335 635257624 /nfs/dbraw/zinc/25/76/24/635257624.db2.gz RNQDKDRYAAGPAN-IKGGRYGDSA-N 2 1 278.440 2.410 20 0 CEADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903766085 635258243 /nfs/dbraw/zinc/25/82/43/635258243.db2.gz OEBGCWQRNWRXMF-GWONACJQSA-N 2 1 264.413 2.018 20 0 CEADMP CC[C@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCN1CC(F)F ZINC000903756310 635260931 /nfs/dbraw/zinc/26/09/31/635260931.db2.gz PYONLOHDCJJZRN-KGLIPLIRSA-N 2 1 289.414 2.037 20 0 CEADMP CC[C@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCN1CC(F)F ZINC000903756310 635260932 /nfs/dbraw/zinc/26/09/32/635260932.db2.gz PYONLOHDCJJZRN-KGLIPLIRSA-N 2 1 289.414 2.037 20 0 CEADMP CCc1noc([C@@H](C)[NH+]2CCC(C(C)(C)C[NH3+])CC2)n1 ZINC000903790422 635261722 /nfs/dbraw/zinc/26/17/22/635261722.db2.gz IFOKIECIDGWGMQ-LLVKDONJSA-N 2 1 280.416 2.390 20 0 CEADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903781973 635267091 /nfs/dbraw/zinc/26/70/91/635267091.db2.gz CIBWXFQSFRZVOA-KGLIPLIRSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCOC2CCSCC2)[C@@H]1C ZINC000903781787 635267214 /nfs/dbraw/zinc/26/72/14/635267214.db2.gz AJJDASKPVPZLKA-MGPQQGTHSA-N 2 1 286.485 2.346 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCOC2CCSCC2)[C@@H]1C ZINC000903781787 635267216 /nfs/dbraw/zinc/26/72/16/635267216.db2.gz AJJDASKPVPZLKA-MGPQQGTHSA-N 2 1 286.485 2.346 20 0 CEADMP CCc1cccc(OCC[N@H+](C)C2(C[NH3+])CCOCC2)c1 ZINC000903804217 635280596 /nfs/dbraw/zinc/28/05/96/635280596.db2.gz AZYKQUXSEBVZSB-UHFFFAOYSA-N 2 1 292.423 2.068 20 0 CEADMP CCc1cccc(OCC[N@@H+](C)C2(C[NH3+])CCOCC2)c1 ZINC000903804217 635280599 /nfs/dbraw/zinc/28/05/99/635280599.db2.gz AZYKQUXSEBVZSB-UHFFFAOYSA-N 2 1 292.423 2.068 20 0 CEADMP C(C[NH2+]C1CC1)C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827485 635294431 /nfs/dbraw/zinc/29/44/31/635294431.db2.gz UJSLNNJBFOEKCK-CQSZACIVSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@]12C[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903827179 635294473 /nfs/dbraw/zinc/29/44/73/635294473.db2.gz PVPWJMWIOUCHLJ-MULDDASSSA-N 2 1 290.451 2.123 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCCOCc1ccccc1 ZINC000903859335 635310734 /nfs/dbraw/zinc/31/07/34/635310734.db2.gz MOQGSJGMNFGRDX-IRXDYDNUSA-N 2 1 274.408 2.407 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCCOCc1ccccc1 ZINC000903859335 635310738 /nfs/dbraw/zinc/31/07/38/635310738.db2.gz MOQGSJGMNFGRDX-IRXDYDNUSA-N 2 1 274.408 2.407 20 0 CEADMP CC(C)(C)[C@@H]1CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903890910 635317850 /nfs/dbraw/zinc/31/78/50/635317850.db2.gz HWMFMODHZGDVFY-ZFWWWQNUSA-N 2 1 291.443 2.213 20 0 CEADMP Cc1ccccc1C[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903873394 635321439 /nfs/dbraw/zinc/32/14/39/635321439.db2.gz PWZDNLZIGJRTLR-MRXNPFEDSA-N 2 1 299.422 2.143 20 0 CEADMP Cc1ccccc1C[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903873394 635321457 /nfs/dbraw/zinc/32/14/57/635321457.db2.gz PWZDNLZIGJRTLR-MRXNPFEDSA-N 2 1 299.422 2.143 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)N1CC(F)(F)F ZINC000903874584 635322367 /nfs/dbraw/zinc/32/23/67/635322367.db2.gz FDLRMJSKODYTPJ-XQHKEYJVSA-N 2 1 293.377 2.071 20 0 CEADMP c1cc(CN[C@H]2CC[NH2+]C3(CCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000903919968 635348701 /nfs/dbraw/zinc/34/87/01/635348701.db2.gz QNWDKFGAOJDTOI-INIZCTEOSA-N 2 1 285.435 2.097 20 0 CEADMP CC[N@@H+]1CCCC[C@@H]1CNCc1cccc2c1CC[NH2+]C2 ZINC000903923436 635351745 /nfs/dbraw/zinc/35/17/45/635351745.db2.gz UHQHQZPLOLEUPC-QGZVFWFLSA-N 2 1 287.451 2.296 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNCc1cccc2c1CC[NH2+]C2 ZINC000903923436 635351753 /nfs/dbraw/zinc/35/17/53/635351753.db2.gz UHQHQZPLOLEUPC-QGZVFWFLSA-N 2 1 287.451 2.296 20 0 CEADMP [NH3+][C@@H](C[NH2+][C@@H]1CCc2c1cccc2F)CC(F)F ZINC000903926980 635353737 /nfs/dbraw/zinc/35/37/37/635353737.db2.gz WMLLTCPVNOQUGZ-PRHODGIISA-N 2 1 258.287 2.385 20 0 CEADMP CC(C)(CO)[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903926304 635354233 /nfs/dbraw/zinc/35/42/33/635354233.db2.gz KMXVZOCPTURBMN-GXTWGEPZSA-N 2 1 286.366 2.318 20 0 CEADMP c1ccc([C@@H]2CNCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903929484 635355653 /nfs/dbraw/zinc/35/56/53/635355653.db2.gz GPDKEUQKVGDJNW-ONQFOCNCSA-N 2 1 285.435 2.164 20 0 CEADMP c1ccc([C@@H]2C[NH2+]CCN2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903929484 635355659 /nfs/dbraw/zinc/35/56/59/635355659.db2.gz GPDKEUQKVGDJNW-ONQFOCNCSA-N 2 1 285.435 2.164 20 0 CEADMP Cc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955349 635389070 /nfs/dbraw/zinc/38/90/70/635389070.db2.gz PMXZEIGRVZNOTB-ZDUSSCGKSA-N 2 1 254.324 2.329 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)ccc1F ZINC000903955160 635389631 /nfs/dbraw/zinc/38/96/31/635389631.db2.gz LQASDZKQWLXDOX-GFCCVEGCSA-N 2 1 272.314 2.469 20 0 CEADMP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903965111 635398675 /nfs/dbraw/zinc/39/86/75/635398675.db2.gz VRYCRVPKWSLXTC-DOMZBBRYSA-N 2 1 285.391 2.189 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+](C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904299892 635552320 /nfs/dbraw/zinc/55/23/20/635552320.db2.gz QVQPODUYOQYZHF-GXTWGEPZSA-N 3 1 255.450 2.199 20 0 CEADMP CC[N@@H+](CCc1nccs1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904325358 635571951 /nfs/dbraw/zinc/57/19/51/635571951.db2.gz XKZCHLKPUFUCLX-AWEZNQCLSA-N 2 1 267.442 2.397 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C[C@@H]([NH3+])CCC(C)(C)C ZINC000904332468 635575793 /nfs/dbraw/zinc/57/57/93/635575793.db2.gz PDRLUZZVCMLYPG-GJZGRUSLSA-N 2 1 269.477 2.412 20 0 CEADMP Cc1nc([C@H]2CCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)cs1 ZINC000904341898 635580089 /nfs/dbraw/zinc/58/00/89/635580089.db2.gz ZBCRGPYCEQRPAO-NTZNESFSSA-N 2 1 251.399 2.326 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CO[C@H](C3CC3)C2)C[C@H](C)O1 ZINC000825304353 635609245 /nfs/dbraw/zinc/60/92/45/635609245.db2.gz VLKYTPWIKZYMGV-FSDCSDTHSA-N 2 1 296.455 2.033 20 0 CEADMP CC(C)c1cnc(C[N@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000904404607 635611551 /nfs/dbraw/zinc/61/15/51/635611551.db2.gz AITCQGHDTGZRBO-LLVKDONJSA-N 2 1 253.415 2.437 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000904405191 635612317 /nfs/dbraw/zinc/61/23/17/635612317.db2.gz GVLKABUGKOBIFS-WCQYABFASA-N 2 1 281.425 2.165 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cn1 ZINC000904406759 635613891 /nfs/dbraw/zinc/61/38/91/635613891.db2.gz ZJGSHIXWFJLCOT-CQSZACIVSA-N 2 1 276.428 2.097 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000904409424 635614877 /nfs/dbraw/zinc/61/48/77/635614877.db2.gz BPLRPWPJSQRHPT-BBRMVZONSA-N 2 1 261.413 2.239 20 0 CEADMP CCc1ncc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000904410792 635616588 /nfs/dbraw/zinc/61/65/88/635616588.db2.gz IJXLVULVEIQQPE-MNOVXSKESA-N 2 1 253.415 2.122 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1OC ZINC000904410244 635616831 /nfs/dbraw/zinc/61/68/31/635616831.db2.gz DJTANPLECOVFDT-KBPBESRZSA-N 2 1 292.423 2.429 20 0 CEADMP CCc1ncc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)s1 ZINC000904410793 635617285 /nfs/dbraw/zinc/61/72/85/635617285.db2.gz IJXLVULVEIQQPE-QWRGUYRKSA-N 2 1 253.415 2.122 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccnn2-c2ccccc2)CC[C@H]1C[NH3+] ZINC000904410978 635619349 /nfs/dbraw/zinc/61/93/49/635619349.db2.gz RZZCQBQSVPGNHJ-CABCVRRESA-N 2 1 284.407 2.289 20 0 CEADMP CCCOc1ccc(C[NH2+]CC2([NH3+])CC2)cc1OC ZINC000904450980 635642098 /nfs/dbraw/zinc/64/20/98/635642098.db2.gz VKOQFWKMZBCGFS-UHFFFAOYSA-N 2 1 264.369 2.065 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccccc2C[NH3+])C[C@@H]1C ZINC000904647068 635695026 /nfs/dbraw/zinc/69/50/26/635695026.db2.gz QYCYIXWVEGFULX-STQMWFEESA-N 2 1 290.411 2.092 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878865996 651200305 /nfs/dbraw/zinc/20/03/05/651200305.db2.gz PBBRKMORVBGOHJ-ZIAGYGMSSA-N 2 1 290.398 2.200 20 0 CEADMP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000906092045 636594543 /nfs/dbraw/zinc/59/45/43/636594543.db2.gz FHEDUPASVOIYJO-QKPAOTATSA-N 2 1 295.471 2.224 20 0 CEADMP COc1cc(C[NH2+]C2CC([NH3+])C2)c(SC)cc1OC ZINC000906509229 636760601 /nfs/dbraw/zinc/76/06/01/636760601.db2.gz BFSRHSQFQUULJT-UHFFFAOYSA-N 2 1 282.409 2.005 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@]1(O)CCc2ccccc21 ZINC000829367129 636835718 /nfs/dbraw/zinc/83/57/18/636835718.db2.gz SHCPKXCDHNJXSC-SJLPKXTDSA-N 2 1 288.435 2.237 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@]1(O)CCc2ccccc21 ZINC000829367129 636835722 /nfs/dbraw/zinc/83/57/22/636835722.db2.gz SHCPKXCDHNJXSC-SJLPKXTDSA-N 2 1 288.435 2.237 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@]1(O)CCc2ccccc21 ZINC000829367129 636835727 /nfs/dbraw/zinc/83/57/27/636835727.db2.gz SHCPKXCDHNJXSC-SJLPKXTDSA-N 2 1 288.435 2.237 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000906916316 636895590 /nfs/dbraw/zinc/89/55/90/636895590.db2.gz XIUNSNZOAQUTIB-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000907657195 637082901 /nfs/dbraw/zinc/08/29/01/637082901.db2.gz DTAFJQKNNZAYBB-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000908250981 637274789 /nfs/dbraw/zinc/27/47/89/637274789.db2.gz SNEMGPDPWHOGAP-ARFHVFGLSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908250981 637274793 /nfs/dbraw/zinc/27/47/93/637274793.db2.gz SNEMGPDPWHOGAP-ARFHVFGLSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908250981 637274795 /nfs/dbraw/zinc/27/47/95/637274795.db2.gz SNEMGPDPWHOGAP-ARFHVFGLSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000908303305 637296615 /nfs/dbraw/zinc/29/66/15/637296615.db2.gz NOWJVAWYVPGRCM-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000908303305 637296616 /nfs/dbraw/zinc/29/66/16/637296616.db2.gz NOWJVAWYVPGRCM-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000908303305 637296618 /nfs/dbraw/zinc/29/66/18/637296618.db2.gz NOWJVAWYVPGRCM-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP O[C@@H](C[NH2+][C@H](c1cccs1)C1CC1)C[NH+]1CCCC1 ZINC000908922114 637536724 /nfs/dbraw/zinc/53/67/24/637536724.db2.gz RGNFIXZKXADULL-ZFWWWQNUSA-N 2 1 280.437 2.246 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000832496160 637599774 /nfs/dbraw/zinc/59/97/74/637599774.db2.gz OCSXMOLQQPRFAB-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000909914647 637779815 /nfs/dbraw/zinc/77/98/15/637779815.db2.gz OQIZPMIYYSHPON-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)[C@@H](C)C1 ZINC000910289574 637980280 /nfs/dbraw/zinc/98/02/80/637980280.db2.gz SCOGOQYLJWTJKB-FZKCQIBNSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CCCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)[C@@H](C)C1 ZINC000910289574 637980285 /nfs/dbraw/zinc/98/02/85/637980285.db2.gz SCOGOQYLJWTJKB-FZKCQIBNSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CCCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)[C@@H](C)C1 ZINC000910289574 637980287 /nfs/dbraw/zinc/98/02/87/637980287.db2.gz SCOGOQYLJWTJKB-FZKCQIBNSA-N 2 1 295.471 2.190 20 0 CEADMP Cn1c(Cl)cnc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000835063744 638045918 /nfs/dbraw/zinc/04/59/18/638045918.db2.gz QEFWXSRJCFQTOU-UHFFFAOYSA-N 2 1 270.808 2.038 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)c1 ZINC000911692164 638360038 /nfs/dbraw/zinc/36/00/38/638360038.db2.gz MNKJNPFXFWVBCL-CQSZACIVSA-N 2 1 298.390 2.112 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Cl)nn1 ZINC000876916283 650485271 /nfs/dbraw/zinc/48/52/71/650485271.db2.gz PXOLTFAWEKYALD-SNVBAGLBSA-N 2 1 279.775 2.061 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000841007324 639615970 /nfs/dbraw/zinc/61/59/70/639615970.db2.gz OZZDSTLKMWLUCE-HOCLYGCPSA-N 2 1 284.444 2.020 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cnc1Cl ZINC000841061427 639638402 /nfs/dbraw/zinc/63/84/02/639638402.db2.gz IWJJWAFPKPXQQL-CMPLNLGQSA-N 2 1 253.777 2.274 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000841072095 639643330 /nfs/dbraw/zinc/64/33/30/639643330.db2.gz GGWYZXJYMDZJFF-NSHDSACASA-N 2 1 253.777 2.213 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000229066177 639675510 /nfs/dbraw/zinc/67/55/10/639675510.db2.gz PWXQTHUUOGJQQX-SKDRFNHKSA-N 2 1 253.415 2.177 20 0 CEADMP COCC[N@@H+](CCSC(C)C)CC1CC[NH+](C)CC1 ZINC000879126947 651247200 /nfs/dbraw/zinc/24/72/00/651247200.db2.gz OSYJANMLCPWBPO-UHFFFAOYSA-N 2 1 288.501 2.418 20 0 CEADMP C[C@]1(C[N@@H+]2CCc3sccc3C2)CCC[NH2+]C1 ZINC000062861661 639789236 /nfs/dbraw/zinc/78/92/36/639789236.db2.gz FHCHBNHQGJAEAG-AWEZNQCLSA-N 2 1 250.411 2.496 20 0 CEADMP C[C@]1(C[N@H+]2CCc3sccc3C2)CCC[NH2+]C1 ZINC000062861661 639789241 /nfs/dbraw/zinc/78/92/41/639789241.db2.gz FHCHBNHQGJAEAG-AWEZNQCLSA-N 2 1 250.411 2.496 20 0 CEADMP C[C@]1(C[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]C1 ZINC000062861683 639789729 /nfs/dbraw/zinc/78/97/29/639789729.db2.gz JYTSVUAJMUISME-KRWDZBQOSA-N 2 1 273.424 2.198 20 0 CEADMP CC[C@@H](C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)OC ZINC000842157034 639968738 /nfs/dbraw/zinc/96/87/38/639968738.db2.gz BYZMMUWEVUCJHM-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CCN1C[C@H](C)[N@@H+](CCCCCCC[NH3+])C[C@H]1C ZINC000842476219 640075193 /nfs/dbraw/zinc/07/51/93/640075193.db2.gz JMJXCDOKALQXQK-CABCVRRESA-N 2 1 255.450 2.310 20 0 CEADMP CC[N@@H+]1C[C@H](C)N(CCCCCCC[NH3+])C[C@H]1C ZINC000842476219 640075200 /nfs/dbraw/zinc/07/52/00/640075200.db2.gz JMJXCDOKALQXQK-CABCVRRESA-N 2 1 255.450 2.310 20 0 CEADMP CC[N@H+]1C[C@H](C)N(CCCCCCC[NH3+])C[C@H]1C ZINC000842476219 640075208 /nfs/dbraw/zinc/07/52/08/640075208.db2.gz JMJXCDOKALQXQK-CABCVRRESA-N 2 1 255.450 2.310 20 0 CEADMP CO[C@@H]1CC[C@H]2OCC[N@@H+](CCCCCCC[NH3+])[C@H]2C1 ZINC000842476377 640076867 /nfs/dbraw/zinc/07/68/67/640076867.db2.gz NDDGKZGRWZBCER-OWCLPIDISA-N 2 1 284.444 2.164 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](C)C(C)(C)CC2)C1 ZINC000913721673 640082895 /nfs/dbraw/zinc/08/28/95/640082895.db2.gz BQBNFFJURPBWDI-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@H+](C)C(C)(C)CC2)C1 ZINC000913721673 640082900 /nfs/dbraw/zinc/08/29/00/640082900.db2.gz BQBNFFJURPBWDI-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@@H+](C)C(C)(C)CC2)C1 ZINC000913721673 640082903 /nfs/dbraw/zinc/08/29/03/640082903.db2.gz BQBNFFJURPBWDI-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1[nH+]ccn1CCCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000842650335 640136114 /nfs/dbraw/zinc/13/61/14/640136114.db2.gz NMJPDCFQWMOJLH-UHFFFAOYSA-N 2 1 297.362 2.333 20 0 CEADMP COC(=O)c1[nH]c(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000877073758 650559795 /nfs/dbraw/zinc/55/97/95/650559795.db2.gz RVDKDLOZUJSZCJ-OCCSQVGLSA-N 2 1 293.411 2.072 20 0 CEADMP CC[C@H]1C[C@@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)CCO1 ZINC000843044124 640249333 /nfs/dbraw/zinc/24/93/33/640249333.db2.gz UMFRAYVCOJXMJC-BBRMVZONSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1cc(C)cc(-n2ncc(C[NH+]3CCC(C[NH3+])CC3)n2)c1 ZINC000843047660 640253030 /nfs/dbraw/zinc/25/30/30/640253030.db2.gz UOZULDWAHKXJCR-UHFFFAOYSA-N 2 1 299.422 2.055 20 0 CEADMP Cc1ccc(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cc1C ZINC000843060740 640263770 /nfs/dbraw/zinc/26/37/70/640263770.db2.gz NZOUMWBPDBTKQG-GOSISDBHSA-N 2 1 287.451 2.425 20 0 CEADMP CC(C)([NH3+])C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000843062450 640263826 /nfs/dbraw/zinc/26/38/26/640263826.db2.gz JUTVVLDGYBBWML-HNNXBMFYSA-N 2 1 280.387 2.308 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843113568 640285601 /nfs/dbraw/zinc/28/56/01/640285601.db2.gz XJSIVRCOHGWHTL-ZDUSSCGKSA-N 2 1 260.381 2.278 20 0 CEADMP C[C@H](O)c1ncc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000843125587 640292359 /nfs/dbraw/zinc/29/23/59/640292359.db2.gz XVSXZYPLBPJSTG-XQQFMLRXSA-N 2 1 295.452 2.018 20 0 CEADMP CCCCOC(=O)[C@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843385874 640412295 /nfs/dbraw/zinc/41/22/95/640412295.db2.gz ZIHSQOUNJAVLRR-DZGCQCFKSA-N 2 1 282.428 2.040 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843388979 640413913 /nfs/dbraw/zinc/41/39/13/640413913.db2.gz ZQHWNWZUPHLOOB-JKSUJKDBSA-N 3 1 267.461 2.217 20 0 CEADMP O[C@H](CN1CCCC1)C[N@@H+](C1CC1)C1CCCCC1 ZINC000915686058 640601524 /nfs/dbraw/zinc/60/15/24/640601524.db2.gz JVYKAJSNVQPOAE-MRXNPFEDSA-N 2 1 266.429 2.240 20 0 CEADMP O[C@@H](C[N@H+](C1CC1)C1CCCCC1)C[NH+]1CCCC1 ZINC000915686058 640601526 /nfs/dbraw/zinc/60/15/26/640601526.db2.gz JVYKAJSNVQPOAE-MRXNPFEDSA-N 2 1 266.429 2.240 20 0 CEADMP O[C@@H](C[N@@H+](C1CC1)C1CCCCC1)C[NH+]1CCCC1 ZINC000915686058 640601527 /nfs/dbraw/zinc/60/15/27/640601527.db2.gz JVYKAJSNVQPOAE-MRXNPFEDSA-N 2 1 266.429 2.240 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000844197568 640628984 /nfs/dbraw/zinc/62/89/84/640628984.db2.gz VDTKITJRTWAZGP-OFQRWUPVSA-N 2 1 283.460 2.001 20 0 CEADMP Cc1ccc(N2CC[N@H+](C[C@@H]3CC[NH2+]C3)[C@@H](C)C2)cc1C ZINC000844221949 640636152 /nfs/dbraw/zinc/63/61/52/640636152.db2.gz ZGCWQPGZBYUOMR-DLBZAZTESA-N 2 1 287.451 2.423 20 0 CEADMP Cc1ccc(N2CC[N@@H+](C[C@@H]3CC[NH2+]C3)[C@@H](C)C2)cc1C ZINC000844221949 640636158 /nfs/dbraw/zinc/63/61/58/640636158.db2.gz ZGCWQPGZBYUOMR-DLBZAZTESA-N 2 1 287.451 2.423 20 0 CEADMP Cc1cc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(N)[nH+]1 ZINC000917074457 640845611 /nfs/dbraw/zinc/84/56/11/640845611.db2.gz PRABGTMONFGECS-TXEJJXNPSA-N 2 1 277.416 2.147 20 0 CEADMP C[C@H]1CCCN(Cc2ncc(C[NH+](C)C)s2)[C@H]1CC[NH3+] ZINC000844902385 640859826 /nfs/dbraw/zinc/85/98/26/640859826.db2.gz QKZAZCXDBWJCFS-JSGCOSHPSA-N 2 1 296.484 2.154 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc3c(c1)COC3)C2 ZINC000844902488 640860266 /nfs/dbraw/zinc/86/02/66/640860266.db2.gz NWRPJAXTDLKIBH-IRXDYDNUSA-N 2 1 272.392 2.278 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1COC(=O)c1ccc2c[nH+]cn2c1 ZINC000845737186 641068570 /nfs/dbraw/zinc/06/85/70/641068570.db2.gz WRJBEWJWFQBDGV-AWEZNQCLSA-N 2 1 287.363 2.364 20 0 CEADMP CC(C)[N@@H+](Cc1cccc(F)c1)C[C@@H](O)CN1CCCC1 ZINC000920094590 641114150 /nfs/dbraw/zinc/11/41/50/641114150.db2.gz GUXNCIFBPWTRDX-KRWDZBQOSA-N 2 1 294.414 2.493 20 0 CEADMP CC(C)[N@H+](Cc1cccc(F)c1)C[C@@H](O)CN1CCCC1 ZINC000920094590 641114152 /nfs/dbraw/zinc/11/41/52/641114152.db2.gz GUXNCIFBPWTRDX-KRWDZBQOSA-N 2 1 294.414 2.493 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846219412 641227575 /nfs/dbraw/zinc/22/75/75/641227575.db2.gz AWLCAKWJEYFQDW-OAHLLOKOSA-N 2 1 264.417 2.385 20 0 CEADMP CC(C)[NH2+]C1(CO)CC[NH+](CCc2cccs2)CC1 ZINC000846947124 641494844 /nfs/dbraw/zinc/49/48/44/641494844.db2.gz YEJUNAQKWCSBKE-UHFFFAOYSA-N 2 1 282.453 2.116 20 0 CEADMP CN(CC[N@@H+](C)CCc1cccs1)C1CC[NH+](C)CC1 ZINC000126465135 650671119 /nfs/dbraw/zinc/67/11/19/650671119.db2.gz NUFHDEYSCRDCFP-UHFFFAOYSA-N 2 1 295.496 2.248 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1COc2ccccc2O1 ZINC000070149700 641636931 /nfs/dbraw/zinc/63/69/31/641636931.db2.gz BZUIRKXQCXNMSN-ZIAGYGMSSA-N 2 1 276.380 2.030 20 0 CEADMP CC1CC[NH+](CCC[NH2+]Cc2cnc(Cl)n2C)CC1 ZINC000848525475 642033241 /nfs/dbraw/zinc/03/32/41/642033241.db2.gz OLLZLBZVCLQBPD-UHFFFAOYSA-N 2 1 284.835 2.285 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000848567208 642056541 /nfs/dbraw/zinc/05/65/41/642056541.db2.gz QVNAYMPCNUDTAQ-GFCCVEGCSA-N 2 1 290.436 2.321 20 0 CEADMP C[C@@H](Cc1ccccn1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000848567209 642057249 /nfs/dbraw/zinc/05/72/49/642057249.db2.gz QVNAYMPCNUDTAQ-LBPRGKRZSA-N 2 1 290.436 2.321 20 0 CEADMP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC000996378966 642104387 /nfs/dbraw/zinc/10/43/87/642104387.db2.gz IXAMHHVAPDNJPC-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@@H+](CCNC(=[NH2+])Nc1ccccn1)C1CCCCC1 ZINC000848987912 642210285 /nfs/dbraw/zinc/21/02/85/642210285.db2.gz OLFFIBMJSLBUOZ-UHFFFAOYSA-N 2 1 275.400 2.282 20 0 CEADMP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000848996216 642216038 /nfs/dbraw/zinc/21/60/38/642216038.db2.gz LULQXTHKBMQXHG-CYBMUJFWSA-N 2 1 290.411 2.362 20 0 CEADMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)NC1CCC1 ZINC000849008998 642225398 /nfs/dbraw/zinc/22/53/98/642225398.db2.gz NMQJKABYGVTFQY-INIZCTEOSA-N 2 1 286.423 2.317 20 0 CEADMP CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997179694 642226729 /nfs/dbraw/zinc/22/67/29/642226729.db2.gz DNCLVIQXTQNLOO-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cccc(NC(=[NH2+])NCC[N@H+]2CC=CCC2)c1 ZINC000849024260 642237411 /nfs/dbraw/zinc/23/74/11/642237411.db2.gz IWMHKNVIRBJXLH-UHFFFAOYSA-N 2 1 258.369 2.193 20 0 CEADMP Cc1cccc(NC(=[NH2+])NCC[N@@H+]2CC=CCC2)c1 ZINC000849024260 642237416 /nfs/dbraw/zinc/23/74/16/642237416.db2.gz IWMHKNVIRBJXLH-UHFFFAOYSA-N 2 1 258.369 2.193 20 0 CEADMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000849043016 642253123 /nfs/dbraw/zinc/25/31/23/642253123.db2.gz CVSRXOYRPOYPEX-CYBMUJFWSA-N 2 1 268.449 2.409 20 0 CEADMP CCCCC[N@H+](CCNC(N)=[NH2+])Cc1ccccc1 ZINC000849046787 642255857 /nfs/dbraw/zinc/25/58/57/642255857.db2.gz LISISSVVAASCRP-UHFFFAOYSA-N 2 1 262.401 2.162 20 0 CEADMP CCCCC[N@@H+](CCNC(N)=[NH2+])Cc1ccccc1 ZINC000849046787 642255859 /nfs/dbraw/zinc/25/58/59/642255859.db2.gz LISISSVVAASCRP-UHFFFAOYSA-N 2 1 262.401 2.162 20 0 CEADMP CCOc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1F ZINC000084642521 642336536 /nfs/dbraw/zinc/33/65/36/642336536.db2.gz PUBVMZFTSSLRIC-UHFFFAOYSA-N 2 1 266.360 2.408 20 0 CEADMP CCOc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1F ZINC000084642521 642336542 /nfs/dbraw/zinc/33/65/42/642336542.db2.gz PUBVMZFTSSLRIC-UHFFFAOYSA-N 2 1 266.360 2.408 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccnn2CC2CC2)C1 ZINC000850172708 642604619 /nfs/dbraw/zinc/60/46/19/642604619.db2.gz CWMNCBGTHABTML-HUUCEWRRSA-N 2 1 276.428 2.256 20 0 CEADMP C[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccn1 ZINC000850343135 642672859 /nfs/dbraw/zinc/67/28/59/642672859.db2.gz PNPRYWGUFXLHMY-GFCCVEGCSA-N 2 1 290.436 2.493 20 0 CEADMP CCOC(=O)NC1CCC([NH2+]CC[N@H+](CC)C(C)C)CC1 ZINC000850430067 642710559 /nfs/dbraw/zinc/71/05/59/642710559.db2.gz MUCYYRSFFXMXQW-UHFFFAOYSA-N 2 1 299.459 2.364 20 0 CEADMP CCOC(=O)NC1CCC([NH2+]CC[N@@H+](CC)C(C)C)CC1 ZINC000850430067 642710562 /nfs/dbraw/zinc/71/05/62/642710562.db2.gz MUCYYRSFFXMXQW-UHFFFAOYSA-N 2 1 299.459 2.364 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000921969398 642818114 /nfs/dbraw/zinc/81/81/14/642818114.db2.gz VNEYAHOSUJRHJH-UHFFFAOYSA-N 2 1 271.408 2.312 20 0 CEADMP CC(C)=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001003158934 642918908 /nfs/dbraw/zinc/91/89/08/642918908.db2.gz KDXOHDHTBKMWRO-INIZCTEOSA-N 2 1 293.455 2.018 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC(F)F)C[C@@H]1C ZINC000851796812 643166445 /nfs/dbraw/zinc/16/64/45/643166445.db2.gz KQLKAKFMRUGFAG-WDEREUQCSA-N 2 1 250.333 2.030 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC(F)F)C[C@@H]1C ZINC000851796812 643166449 /nfs/dbraw/zinc/16/64/49/643166449.db2.gz KQLKAKFMRUGFAG-WDEREUQCSA-N 2 1 250.333 2.030 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC(F)F)C[C@@H]1C ZINC000851796812 643166457 /nfs/dbraw/zinc/16/64/57/643166457.db2.gz KQLKAKFMRUGFAG-WDEREUQCSA-N 2 1 250.333 2.030 20 0 CEADMP CO[C@H]1CC[C@H](N2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000851890976 643212278 /nfs/dbraw/zinc/21/22/78/643212278.db2.gz ZESBXRYOEONUEZ-KBPBESRZSA-N 2 1 252.402 2.114 20 0 CEADMP CO[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000851890976 643212284 /nfs/dbraw/zinc/21/22/84/643212284.db2.gz ZESBXRYOEONUEZ-KBPBESRZSA-N 2 1 252.402 2.114 20 0 CEADMP CO[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000851890976 643212288 /nfs/dbraw/zinc/21/22/88/643212288.db2.gz ZESBXRYOEONUEZ-KBPBESRZSA-N 2 1 252.402 2.114 20 0 CEADMP C(Cc1nc2c(s1)CCC2)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922715933 643221827 /nfs/dbraw/zinc/22/18/27/643221827.db2.gz PGDLLIWBMYKCLM-STQMWFEESA-N 2 1 291.464 2.391 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C)C[NH+](C)C ZINC000922754931 643245398 /nfs/dbraw/zinc/24/53/98/643245398.db2.gz VWBWUHJVHYASEU-BFHYXJOUSA-N 2 1 256.434 2.367 20 0 CEADMP CCOc1cccc(C[NH2+]C[C@@H](CN(C)C)OCC)c1 ZINC000922755880 643246701 /nfs/dbraw/zinc/24/67/01/643246701.db2.gz BODBAMTVTJMQIT-INIZCTEOSA-N 2 1 280.412 2.142 20 0 CEADMP CSC(C)(C)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000877640698 650829197 /nfs/dbraw/zinc/82/91/97/650829197.db2.gz QNNWDJOOCWGASZ-CQSZACIVSA-N 2 1 286.485 2.049 20 0 CEADMP COCC[N@H+](Cc1ccoc1C)CC1CC[NH+](C)CC1 ZINC000877663889 650839916 /nfs/dbraw/zinc/83/99/16/650839916.db2.gz CKZCDMUTHRSDMG-UHFFFAOYSA-N 2 1 280.412 2.378 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCc2cccs2)CCO1 ZINC000852760517 643541031 /nfs/dbraw/zinc/54/10/31/643541031.db2.gz HFMMQKZCUXWZET-AWEZNQCLSA-N 2 1 282.453 2.333 20 0 CEADMP [NH3+]CCCCCCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000852899954 643593569 /nfs/dbraw/zinc/59/35/69/643593569.db2.gz PFBZHJRGRKHJQB-LSDHHAIUSA-N 2 1 281.444 2.029 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC2SCCS2)C1 ZINC000853023457 643624701 /nfs/dbraw/zinc/62/47/01/643624701.db2.gz XQAIOYNVMWPYLZ-LLVKDONJSA-N 2 1 260.472 2.243 20 0 CEADMP C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)C1SCCS1 ZINC000853023128 643624902 /nfs/dbraw/zinc/62/49/02/643624902.db2.gz OBALNZQYBBFWTK-UHFFFAOYSA-N 2 1 272.483 2.399 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2coc(C(C)(C)C)n2)CC1 ZINC000923289660 643642629 /nfs/dbraw/zinc/64/26/29/643642629.db2.gz JAKLDLKAJMYPJZ-UHFFFAOYSA-N 2 1 265.401 2.404 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000923291060 643644362 /nfs/dbraw/zinc/64/43/62/643644362.db2.gz APBZVWPGXVDNPD-MSOLQXFVSA-N 2 1 284.403 2.166 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000923291060 643644364 /nfs/dbraw/zinc/64/43/64/643644364.db2.gz APBZVWPGXVDNPD-MSOLQXFVSA-N 2 1 284.403 2.166 20 0 CEADMP CC[N@H+](CCC[NH2+]C1CC1)C[C@@H]1COc2ccccc2O1 ZINC000923297525 643648147 /nfs/dbraw/zinc/64/81/47/643648147.db2.gz JEMQVECWELBLMR-OAHLLOKOSA-N 2 1 290.407 2.290 20 0 CEADMP CC[N@@H+](CCC[NH2+]C1CC1)C[C@@H]1COc2ccccc2O1 ZINC000923297525 643648151 /nfs/dbraw/zinc/64/81/51/643648151.db2.gz JEMQVECWELBLMR-OAHLLOKOSA-N 2 1 290.407 2.290 20 0 CEADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCCc2ccccc21 ZINC000923297803 643648430 /nfs/dbraw/zinc/64/84/30/643648430.db2.gz JWXVKPHJWLGJBT-WBVHZDCISA-N 2 1 286.419 2.374 20 0 CEADMP COc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923300773 643649099 /nfs/dbraw/zinc/64/90/99/643649099.db2.gz LQPFQCLHIVQULG-BBRMVZONSA-N 2 1 290.407 2.067 20 0 CEADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923301626 643649200 /nfs/dbraw/zinc/64/92/00/643649200.db2.gz IVHUOURAVMLZJW-CQSZACIVSA-N 2 1 299.422 2.402 20 0 CEADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000923316127 643655184 /nfs/dbraw/zinc/65/51/84/643655184.db2.gz SCORMTXKLAPLIR-HNNXBMFYSA-N 2 1 278.440 2.411 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923311822 643658340 /nfs/dbraw/zinc/65/83/40/643658340.db2.gz YEOSPAZFNKLNEN-GUTXKFCHSA-N 2 1 266.429 2.264 20 0 CEADMP C[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329314 643661274 /nfs/dbraw/zinc/66/12/74/643661274.db2.gz RWIJGBLGXFHUOW-TUURBPCVSA-N 2 1 296.361 2.213 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329314 643661276 /nfs/dbraw/zinc/66/12/76/643661276.db2.gz RWIJGBLGXFHUOW-TUURBPCVSA-N 2 1 296.361 2.213 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](O)c1ccc(F)cc1F ZINC000923329984 643661460 /nfs/dbraw/zinc/66/14/60/643661460.db2.gz UAGGUMBJLQBQLZ-XQERAMJGSA-N 2 1 296.361 2.342 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc(F)cc1F ZINC000923329984 643661462 /nfs/dbraw/zinc/66/14/62/643661462.db2.gz UAGGUMBJLQBQLZ-XQERAMJGSA-N 2 1 296.361 2.342 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923326888 643665059 /nfs/dbraw/zinc/66/50/59/643665059.db2.gz OPLPJTMELWVWNB-HNNXBMFYSA-N 2 1 262.401 2.008 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923326888 643665069 /nfs/dbraw/zinc/66/50/69/643665069.db2.gz OPLPJTMELWVWNB-HNNXBMFYSA-N 2 1 262.401 2.008 20 0 CEADMP CCCCCC[C@H](O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923336156 643668358 /nfs/dbraw/zinc/66/83/58/643668358.db2.gz VXFCMNBJXXZUTQ-CABCVRRESA-N 2 1 256.434 2.392 20 0 CEADMP CCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923349251 643672780 /nfs/dbraw/zinc/67/27/80/643672780.db2.gz RFAYVDOTTSGJPO-LSDHHAIUSA-N 2 1 256.434 2.379 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H](O)CCc1ccccc1 ZINC000923353609 643678417 /nfs/dbraw/zinc/67/84/17/643678417.db2.gz KIXJXHFKYGKBOS-IAGOWNOFSA-N 2 1 276.424 2.183 20 0 CEADMP Cc1ccc(OC[C@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c(C)c1 ZINC000923368202 643682159 /nfs/dbraw/zinc/68/21/59/643682159.db2.gz NOWCXQSUELEOON-GDBMZVCRSA-N 2 1 294.439 2.006 20 0 CEADMP C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923370385 643682719 /nfs/dbraw/zinc/68/27/19/643682719.db2.gz GBTXQJQGUKMCPV-LBPRGKRZSA-N 2 1 298.789 2.289 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)CCc2ccccc2)C[C@H]1C[NH3+] ZINC000923382779 643688618 /nfs/dbraw/zinc/68/86/18/643688618.db2.gz UNCXKNAFRDORAJ-CYGHRXIMSA-N 2 1 290.451 2.285 20 0 CEADMP c1ccc([C@H]2CCC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)cc1 ZINC000923386515 643692284 /nfs/dbraw/zinc/69/22/84/643692284.db2.gz GVVGJCUDXJGHFS-DLBZAZTESA-N 2 1 286.419 2.245 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@H](O)CCc2ccccc2)[C@H](C[NH3+])C1 ZINC000923387761 643692442 /nfs/dbraw/zinc/69/24/42/643692442.db2.gz FGQYEBLWKOHLCM-HYVNUMGLSA-N 2 1 276.424 2.039 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)[C@H](C[NH3+])C1 ZINC000923387761 643692446 /nfs/dbraw/zinc/69/24/46/643692446.db2.gz FGQYEBLWKOHLCM-HYVNUMGLSA-N 2 1 276.424 2.039 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000923389393 643694576 /nfs/dbraw/zinc/69/45/76/643694576.db2.gz XLLZXQQZVBCQQX-ULQDDVLXSA-N 2 1 274.408 2.089 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923413056 643701038 /nfs/dbraw/zinc/70/10/38/643701038.db2.gz CJJUMJXFVMXTFE-HOCLYGCPSA-N 2 1 270.461 2.480 20 0 CEADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000923414250 643701950 /nfs/dbraw/zinc/70/19/50/643701950.db2.gz BDDCSPDWNONBFG-CVEARBPZSA-N 2 1 278.440 2.267 20 0 CEADMP C[N@H+](C[C@H](O)c1ccc(F)cc1)C1(C[NH3+])CCCCC1 ZINC000923421034 643708851 /nfs/dbraw/zinc/70/88/51/643708851.db2.gz DLDLQXBXIHABCQ-HNNXBMFYSA-N 2 1 280.387 2.453 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1)C1(C[NH3+])CCCCC1 ZINC000923421034 643708857 /nfs/dbraw/zinc/70/88/57/643708857.db2.gz DLDLQXBXIHABCQ-HNNXBMFYSA-N 2 1 280.387 2.453 20 0 CEADMP Cc1csc([C@@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923419641 643709158 /nfs/dbraw/zinc/70/91/58/643709158.db2.gz DGFAAMJTNRVNGL-GFCCVEGCSA-N 2 1 265.426 2.383 20 0 CEADMP Cc1csc([C@@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923419641 643709162 /nfs/dbraw/zinc/70/91/62/643709162.db2.gz DGFAAMJTNRVNGL-GFCCVEGCSA-N 2 1 265.426 2.383 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2nc3ccccc3n2C)CC[C@H]1C[NH3+] ZINC000923497367 643739957 /nfs/dbraw/zinc/73/99/57/643739957.db2.gz DWAIJUKPBQNJRE-KGLIPLIRSA-N 2 1 286.423 2.033 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504705 643743623 /nfs/dbraw/zinc/74/36/23/643743623.db2.gz TZJBMJULKVBHAR-FXUDXRNXSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C[C@H]1C[NH3+] ZINC000923515227 643747543 /nfs/dbraw/zinc/74/75/43/643747543.db2.gz NNIYIOHNHBLWIJ-DZUCGIPZSA-N 2 1 274.408 2.433 20 0 CEADMP C(C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923531160 643753143 /nfs/dbraw/zinc/75/31/43/643753143.db2.gz PVZZLMYOCHKMDO-HMQMGEFJSA-N 3 1 277.456 2.125 20 0 CEADMP C(C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923531160 643753145 /nfs/dbraw/zinc/75/31/45/643753145.db2.gz PVZZLMYOCHKMDO-HMQMGEFJSA-N 3 1 277.456 2.125 20 0 CEADMP C(C[N@H+]1CCOC[C@H]1CC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923552991 643759197 /nfs/dbraw/zinc/75/91/97/643759197.db2.gz GLMGPQLVSCOYPA-NPYXIHBLSA-N 2 1 278.440 2.408 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000838795248 644013139 /nfs/dbraw/zinc/01/31/39/644013139.db2.gz XOBKYQQIMAKPMV-CQSZACIVSA-N 2 1 284.444 2.239 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000838795248 644013142 /nfs/dbraw/zinc/01/31/42/644013142.db2.gz XOBKYQQIMAKPMV-CQSZACIVSA-N 2 1 284.444 2.239 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000838795248 644013148 /nfs/dbraw/zinc/01/31/48/644013148.db2.gz XOBKYQQIMAKPMV-CQSZACIVSA-N 2 1 284.444 2.239 20 0 CEADMP CSC1(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CCC1 ZINC000877742694 650887029 /nfs/dbraw/zinc/88/70/29/650887029.db2.gz QQFPCNYYFZRIPS-QWHCGFSZSA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CCC1 ZINC000877742694 650887033 /nfs/dbraw/zinc/88/70/33/650887033.db2.gz QQFPCNYYFZRIPS-QWHCGFSZSA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CCC1 ZINC000877742694 650887039 /nfs/dbraw/zinc/88/70/39/650887039.db2.gz QQFPCNYYFZRIPS-QWHCGFSZSA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CCC1 ZINC000877742694 650887040 /nfs/dbraw/zinc/88/70/40/650887040.db2.gz QQFPCNYYFZRIPS-QWHCGFSZSA-N 2 1 254.443 2.298 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000877744672 650890961 /nfs/dbraw/zinc/89/09/61/650890961.db2.gz WPGOTDWXNLPPLD-RHSMWYFYSA-N 2 1 297.402 2.466 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000877744672 650890965 /nfs/dbraw/zinc/89/09/65/650890965.db2.gz WPGOTDWXNLPPLD-RHSMWYFYSA-N 2 1 297.402 2.466 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000877744672 650890968 /nfs/dbraw/zinc/89/09/68/650890968.db2.gz WPGOTDWXNLPPLD-RHSMWYFYSA-N 2 1 297.402 2.466 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000877744672 650890971 /nfs/dbraw/zinc/89/09/71/650890971.db2.gz WPGOTDWXNLPPLD-RHSMWYFYSA-N 2 1 297.402 2.466 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839180982 644181363 /nfs/dbraw/zinc/18/13/63/644181363.db2.gz FVMMRASXOVZRKB-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925488541 644187520 /nfs/dbraw/zinc/18/75/20/644187520.db2.gz KLGNNARQRDRYBQ-LSDHHAIUSA-N 2 1 267.461 2.371 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnc(N(C)C)c2)C[C@@H]1C ZINC000754050634 644316757 /nfs/dbraw/zinc/31/67/57/644316757.db2.gz PMAKUKAOSRECPN-GOEBONIOSA-N 2 1 290.455 2.452 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnc(N(C)C)c2)C[C@@H]1C ZINC000754050634 644316760 /nfs/dbraw/zinc/31/67/60/644316760.db2.gz PMAKUKAOSRECPN-GOEBONIOSA-N 2 1 290.455 2.452 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnc(N(C)C)c2)C[C@@H]1C ZINC000754050634 644316769 /nfs/dbraw/zinc/31/67/69/644316769.db2.gz PMAKUKAOSRECPN-GOEBONIOSA-N 2 1 290.455 2.452 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnc(N(C)C)c2)C[C@@H]1C ZINC000754050634 644316771 /nfs/dbraw/zinc/31/67/71/644316771.db2.gz PMAKUKAOSRECPN-GOEBONIOSA-N 2 1 290.455 2.452 20 0 CEADMP C[C@H](O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000754787357 644430398 /nfs/dbraw/zinc/43/03/98/644430398.db2.gz VRDYNVFORXBWCD-XKQJLSEDSA-N 2 1 274.408 2.456 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3cccnc3=S)C2)CC1 ZINC000755782306 644561844 /nfs/dbraw/zinc/56/18/44/644561844.db2.gz ZARHZEOWAZAIJX-AWEZNQCLSA-N 2 1 292.452 2.234 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](CNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000756960751 644713336 /nfs/dbraw/zinc/71/33/36/644713336.db2.gz DKDIAAODRNKPHN-CQSZACIVSA-N 2 1 289.427 2.219 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000756960751 644713339 /nfs/dbraw/zinc/71/33/39/644713339.db2.gz DKDIAAODRNKPHN-CQSZACIVSA-N 2 1 289.427 2.219 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000857855083 644982424 /nfs/dbraw/zinc/98/24/24/644982424.db2.gz NXGKNBQPVFYBSA-HNNXBMFYSA-N 2 1 276.428 2.499 20 0 CEADMP c1[nH]nc2c1CCC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000857866386 644988018 /nfs/dbraw/zinc/98/80/18/644988018.db2.gz VVJGSWQHVYQQBG-HNNXBMFYSA-N 2 1 274.412 2.251 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC12CCCCC2 ZINC000759387012 645020457 /nfs/dbraw/zinc/02/04/57/645020457.db2.gz MODFGUVMZHDUAK-OAHLLOKOSA-N 2 1 266.429 2.242 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC12CCCCC2 ZINC000759387012 645020463 /nfs/dbraw/zinc/02/04/63/645020463.db2.gz MODFGUVMZHDUAK-OAHLLOKOSA-N 2 1 266.429 2.242 20 0 CEADMP CC[N@@H+](CCN[C@H]1CC[NH+](C)C(C)(C)C1)C(C)C ZINC000858123436 645069038 /nfs/dbraw/zinc/06/90/38/645069038.db2.gz YOGPLEMZKUIZMT-AWEZNQCLSA-N 2 1 255.450 2.179 20 0 CEADMP CC[NH+](CCN[C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000858123436 645069041 /nfs/dbraw/zinc/06/90/41/645069041.db2.gz YOGPLEMZKUIZMT-AWEZNQCLSA-N 2 1 255.450 2.179 20 0 CEADMP CC[NH+](CCN[C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000858123436 645069045 /nfs/dbraw/zinc/06/90/45/645069045.db2.gz YOGPLEMZKUIZMT-AWEZNQCLSA-N 2 1 255.450 2.179 20 0 CEADMP Cc1cc(NC[C@@H]2CC[N@H+]2C2CCCCC2)nc(N)[nH+]1 ZINC000858681521 645236493 /nfs/dbraw/zinc/23/64/93/645236493.db2.gz JNBBBTBWROROKX-ZDUSSCGKSA-N 2 1 275.400 2.186 20 0 CEADMP C[N@@H+](C[C@H]1CC2(CCC2)CO1)C[C@H]1CCC[NH+](C)C1 ZINC000878126203 651008214 /nfs/dbraw/zinc/00/82/14/651008214.db2.gz UORHFFHOCNZPMX-LSDHHAIUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](C[C@H]1CC2(CCC2)CO1)C[C@H]1CCC[N@H+](C)C1 ZINC000878126203 651008216 /nfs/dbraw/zinc/00/82/16/651008216.db2.gz UORHFFHOCNZPMX-LSDHHAIUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](C[C@H]1CC2(CCC2)CO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000878126203 651008219 /nfs/dbraw/zinc/00/82/19/651008219.db2.gz UORHFFHOCNZPMX-LSDHHAIUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCOCC(F)F)cc1 ZINC000859212377 645421964 /nfs/dbraw/zinc/42/19/64/645421964.db2.gz HXTHWVQYVOCVOT-UHFFFAOYSA-N 2 1 286.366 2.462 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H](OC)C2)C[C@@H]1C ZINC000878162689 651019528 /nfs/dbraw/zinc/01/95/28/651019528.db2.gz IAPDHMGYDOQMKX-BYNSBNAKSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H]2C[C@@H](OC)C2)C[C@@H]1C ZINC000878162689 651019530 /nfs/dbraw/zinc/01/95/30/651019530.db2.gz IAPDHMGYDOQMKX-BYNSBNAKSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H](OC)C2)C[C@@H]1C ZINC000878162689 651019533 /nfs/dbraw/zinc/01/95/33/651019533.db2.gz IAPDHMGYDOQMKX-BYNSBNAKSA-N 2 1 254.418 2.216 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC4(CCC4)CO3)CC[C@@H]21 ZINC000878197856 651033845 /nfs/dbraw/zinc/03/38/45/651033845.db2.gz QYKLLPLLQOXZAS-OAGGEKHMSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CC4(CCC4)CO3)CC[C@@H]21 ZINC000878197856 651033848 /nfs/dbraw/zinc/03/38/48/651033848.db2.gz QYKLLPLLQOXZAS-OAGGEKHMSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CC4(CCC4)CO3)CC[C@@H]21 ZINC000878197856 651033850 /nfs/dbraw/zinc/03/38/50/651033850.db2.gz QYKLLPLLQOXZAS-OAGGEKHMSA-N 2 1 278.440 2.362 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)c2ccco2)CC1 ZINC000764770464 645687956 /nfs/dbraw/zinc/68/79/56/645687956.db2.gz TWBKMXPBJWUPKA-ZDUSSCGKSA-N 2 1 266.385 2.166 20 0 CEADMP C[C@H](C[N@H+](C)CC[C@@H]1CCC[NH+]1C)NC(=O)OC(C)(C)C ZINC000860095562 645699737 /nfs/dbraw/zinc/69/97/37/645699737.db2.gz GENYZFKLAUXOCH-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H](C[N@@H+](C)CC[C@@H]1CCC[NH+]1C)NC(=O)OC(C)(C)C ZINC000860095562 645699738 /nfs/dbraw/zinc/69/97/38/645699738.db2.gz GENYZFKLAUXOCH-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H](C[NH+](C)CC[C@@H]1CCC[N@@H+]1C)NC(=O)OC(C)(C)C ZINC000860095562 645699741 /nfs/dbraw/zinc/69/97/41/645699741.db2.gz GENYZFKLAUXOCH-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H](C[NH+](C)CC[C@@H]1CCC[N@H+]1C)NC(=O)OC(C)(C)C ZINC000860095562 645699743 /nfs/dbraw/zinc/69/97/43/645699743.db2.gz GENYZFKLAUXOCH-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000860180364 645728763 /nfs/dbraw/zinc/72/87/63/645728763.db2.gz QXVPLFYGENSQCA-REUDQUMMSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC[N@H+]1C ZINC000765262515 645749979 /nfs/dbraw/zinc/74/99/79/645749979.db2.gz XDNFRHQXOFRULT-UGFHNGPFSA-N 2 1 282.815 2.446 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCC1CC1 ZINC000878288229 651054498 /nfs/dbraw/zinc/05/44/98/651054498.db2.gz SVLATDVKOKAOKV-BZUAXINKSA-N 2 1 266.429 2.360 20 0 CEADMP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000767351924 645979531 /nfs/dbraw/zinc/97/95/31/645979531.db2.gz ASKZBVGUNUQSOQ-OWSLCNJRSA-N 2 1 286.419 2.243 20 0 CEADMP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000767351924 645979532 /nfs/dbraw/zinc/97/95/32/645979532.db2.gz ASKZBVGUNUQSOQ-OWSLCNJRSA-N 2 1 286.419 2.243 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@H](C(F)(F)F)C1 ZINC000767585145 646009234 /nfs/dbraw/zinc/00/92/34/646009234.db2.gz DFCKHTUVGNRXGX-WDEREUQCSA-N 2 1 250.308 2.355 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](C(F)(F)F)C1 ZINC000767585145 646009241 /nfs/dbraw/zinc/00/92/41/646009241.db2.gz DFCKHTUVGNRXGX-WDEREUQCSA-N 2 1 250.308 2.355 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](C(F)(F)F)C1 ZINC000767585145 646009245 /nfs/dbraw/zinc/00/92/45/646009245.db2.gz DFCKHTUVGNRXGX-WDEREUQCSA-N 2 1 250.308 2.355 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000767585145 646009248 /nfs/dbraw/zinc/00/92/48/646009248.db2.gz DFCKHTUVGNRXGX-WDEREUQCSA-N 2 1 250.308 2.355 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000767585145 646009254 /nfs/dbraw/zinc/00/92/54/646009254.db2.gz DFCKHTUVGNRXGX-WDEREUQCSA-N 2 1 250.308 2.355 20 0 CEADMP Cc1c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccnc1F ZINC000862254447 646383424 /nfs/dbraw/zinc/38/34/24/646383424.db2.gz ZPMVIPJVZFVNAE-LSDHHAIUSA-N 2 1 277.387 2.445 20 0 CEADMP CCc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)[nH]n1 ZINC000925492789 646404732 /nfs/dbraw/zinc/40/47/32/646404732.db2.gz ZRBDFCHGYPDDBQ-JKSUJKDBSA-N 2 1 276.428 2.230 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCOc1cccc(F)c1)C2 ZINC000863564480 646756937 /nfs/dbraw/zinc/75/69/37/646756937.db2.gz XVRDZVIRVOXKGG-IYBDPMFKSA-N 2 1 278.371 2.136 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCOc1cccc(F)c1)C2 ZINC000863564480 646756942 /nfs/dbraw/zinc/75/69/42/646756942.db2.gz XVRDZVIRVOXKGG-IYBDPMFKSA-N 2 1 278.371 2.136 20 0 CEADMP Cc1cc([C@@](C)(O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)o1 ZINC000774206732 646818946 /nfs/dbraw/zinc/81/89/46/646818946.db2.gz SIRMZIUTVOSHRP-BTFYYFJDSA-N 2 1 292.423 2.319 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000864067090 646882086 /nfs/dbraw/zinc/88/20/86/646882086.db2.gz FVUWDCSCFPAAPH-KGLIPLIRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000775360861 646945378 /nfs/dbraw/zinc/94/53/78/646945378.db2.gz AVIBJCZQQDIMJD-MCIONIFRSA-N 2 1 286.510 2.440 20 0 CEADMP [NH2+]=C(NCCC1CC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000864451514 647007691 /nfs/dbraw/zinc/00/76/91/647007691.db2.gz HBDSCZSCAYEBIF-AWEZNQCLSA-N 2 1 290.411 2.331 20 0 CEADMP C[C@H]1C[C@H]1NC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000864457362 647012512 /nfs/dbraw/zinc/01/25/12/647012512.db2.gz RUCGRWNOFYVHEE-FRRDWIJNSA-N 2 1 266.433 2.019 20 0 CEADMP CCC(CC)NC(=[NH2+])NC[C@@H]1CCCC[N@H+]1CC ZINC000864458545 647013216 /nfs/dbraw/zinc/01/32/16/647013216.db2.gz NHVSKRCSOBCAKN-ZDUSSCGKSA-N 2 1 254.422 2.163 20 0 CEADMP CC(=O)NCC1CCC([NH2+]CC2([NH+](C)C)CCCC2)CC1 ZINC000865405494 647277769 /nfs/dbraw/zinc/27/77/69/647277769.db2.gz JNDWDLJORFQYIY-UHFFFAOYSA-N 2 1 295.471 2.145 20 0 CEADMP CCCNc1cc(NC[C@]2([NH+](C)C)CCSC2)nc[nH+]1 ZINC000865582912 647371071 /nfs/dbraw/zinc/37/10/71/647371071.db2.gz OJFGIFFSEPNCEX-CQSZACIVSA-N 2 1 295.456 2.148 20 0 CEADMP C[NH+](C)[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)c1cccc(F)c1 ZINC000925493834 647400084 /nfs/dbraw/zinc/40/00/84/647400084.db2.gz MBIAYXNGSYQPCP-PMPSAXMXSA-N 2 1 291.414 2.288 20 0 CEADMP C[NH+]1CCC([NH2+]CCSCCC(F)(F)F)CC1 ZINC000865788553 647465044 /nfs/dbraw/zinc/46/50/44/647465044.db2.gz AGAXKPKZKRGEBW-UHFFFAOYSA-N 2 1 270.364 2.356 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H](O)C2CCCC2)CC1(C)C ZINC000865877867 647520152 /nfs/dbraw/zinc/52/01/52/647520152.db2.gz UQAFBYHRUODJBN-GJZGRUSLSA-N 2 1 268.445 2.390 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)C1 ZINC000866263135 647703122 /nfs/dbraw/zinc/70/31/22/647703122.db2.gz NAMLFFMDXZMTRT-BMFZPTHFSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1cccc(C[C@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000866342004 647745603 /nfs/dbraw/zinc/74/56/03/647745603.db2.gz QXAOTQOKMUAFNA-AWEZNQCLSA-N 2 1 257.381 2.492 20 0 CEADMP C[N@H+]1CC[C@H]2CN(C3CC(OC(C)(C)C)C3)CC[C@@H]21 ZINC000866585137 647832735 /nfs/dbraw/zinc/83/27/35/647832735.db2.gz OPPYNSTTYQYLNN-PPWQZUPISA-N 2 1 266.429 2.359 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000866660058 647859247 /nfs/dbraw/zinc/85/92/47/647859247.db2.gz BGHAFFUZLARXCK-UHFFFAOYSA-N 2 1 263.385 2.374 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000866661206 647859530 /nfs/dbraw/zinc/85/95/30/647859530.db2.gz QDEBDNPUBTWZQO-IJEWVQPXSA-N 2 1 289.423 2.381 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000866661206 647859532 /nfs/dbraw/zinc/85/95/32/647859532.db2.gz QDEBDNPUBTWZQO-IJEWVQPXSA-N 2 1 289.423 2.381 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCC3CC3)C2)C1 ZINC000866667746 647862436 /nfs/dbraw/zinc/86/24/36/647862436.db2.gz XPFDSHYIOGCKFZ-ARFHVFGLSA-N 2 1 266.429 2.395 20 0 CEADMP CC1(C)[C@H](c2ccccc2F)CC[N@H+]1CCOCC[NH3+] ZINC000866702636 647874504 /nfs/dbraw/zinc/87/45/04/647874504.db2.gz DNCQPKURRSOUNG-AWEZNQCLSA-N 2 1 280.387 2.369 20 0 CEADMP CCCCOCC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703253 647876146 /nfs/dbraw/zinc/87/61/46/647876146.db2.gz HNYRJQSHZKHNAY-HNNXBMFYSA-N 2 1 256.434 2.500 20 0 CEADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705277 647876772 /nfs/dbraw/zinc/87/67/72/647876772.db2.gz WPOBOQTVMCBVGO-DYVFJYSZSA-N 2 1 297.487 2.377 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC2CCOCC2)C1 ZINC000866706300 647876818 /nfs/dbraw/zinc/87/68/18/647876818.db2.gz NWTUEJRBTTUEFI-HNNXBMFYSA-N 2 1 254.418 2.110 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000866705787 647876945 /nfs/dbraw/zinc/87/69/45/647876945.db2.gz BFNDFDYDFNKNNJ-MRXNPFEDSA-N 3 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@@]1(CN)CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000866705787 647876947 /nfs/dbraw/zinc/87/69/47/647876947.db2.gz BFNDFDYDFNKNNJ-MRXNPFEDSA-N 2 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@@]1(CN)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000866705787 647876949 /nfs/dbraw/zinc/87/69/49/647876949.db2.gz BFNDFDYDFNKNNJ-MRXNPFEDSA-N 2 1 267.461 2.073 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCS1 ZINC000788480567 648192880 /nfs/dbraw/zinc/19/28/80/648192880.db2.gz AFPPQPSELAJACM-AWEZNQCLSA-N 2 1 256.459 2.402 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)n(C)n1 ZINC000793520387 648768354 /nfs/dbraw/zinc/76/83/54/648768354.db2.gz GIMRGCONRHKANG-GXTWGEPZSA-N 2 1 264.417 2.111 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871357402 649070438 /nfs/dbraw/zinc/07/04/38/649070438.db2.gz IDMWBHCLGCRPDQ-ISXOHVOVSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+]1CCC[C@H]1C(=O)Nc1ccnc(N2CCCCC2)c1 ZINC000888572949 649080337 /nfs/dbraw/zinc/08/03/37/649080337.db2.gz ZSTPFRIJONPZLM-AWEZNQCLSA-N 2 1 288.395 2.105 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)Nc1ccnc(N2CCCCC2)c1 ZINC000888572949 649080343 /nfs/dbraw/zinc/08/03/43/649080343.db2.gz ZSTPFRIJONPZLM-AWEZNQCLSA-N 2 1 288.395 2.105 20 0 CEADMP CN(CCCCCC[NH3+])c1cc[nH+]c(N2CCCCC2)n1 ZINC000871665530 649140104 /nfs/dbraw/zinc/14/01/04/649140104.db2.gz AEVKZGJWBZHCKB-UHFFFAOYSA-N 2 1 291.443 2.422 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CCCOC1 ZINC000872035808 649249003 /nfs/dbraw/zinc/24/90/03/649249003.db2.gz NLHCCDMREPCSLG-ZACQAIPSSA-N 2 1 298.471 2.018 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000872138864 649289093 /nfs/dbraw/zinc/28/90/93/649289093.db2.gz ZXXFAOOWEGHSHW-JKSUJKDBSA-N 2 1 262.397 2.182 20 0 CEADMP Cc1ccc2c(ccc(C)c2C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000872143837 649293759 /nfs/dbraw/zinc/29/37/59/649293759.db2.gz XYVIFBSLJAYVMW-OAHLLOKOSA-N 2 1 272.392 2.208 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC3(CCC3)CO2)C[C@H]1C[NH3+] ZINC000872144245 649294755 /nfs/dbraw/zinc/29/47/55/649294755.db2.gz DNRWSRWNRYLHOA-BARDWOONSA-N 2 1 266.429 2.251 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)C1CCCCC1 ZINC000872144890 649295063 /nfs/dbraw/zinc/29/50/63/649295063.db2.gz LJQGUWADIUPYFK-FXUDXRNXSA-N 2 1 266.429 2.441 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CC3(CCC3)CO1)C2 ZINC000872145430 649295773 /nfs/dbraw/zinc/29/57/73/649295773.db2.gz SLXLMNPGAFLJHV-DZKIICNBSA-N 2 1 264.413 2.006 20 0 CEADMP Cc1ccccc1CNC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872154911 649298210 /nfs/dbraw/zinc/29/82/10/649298210.db2.gz DYRJPVNFKRJLHU-UHFFFAOYSA-N 2 1 291.439 2.062 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cccc3ncccc13)C2 ZINC000872154643 649298553 /nfs/dbraw/zinc/29/85/53/649298553.db2.gz UPPOHDKZJOKNCJ-WMLDXEAASA-N 2 1 267.376 2.276 20 0 CEADMP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCCCCC[NH3+])[C@H]1C ZINC000872155637 649299214 /nfs/dbraw/zinc/29/92/14/649299214.db2.gz XGLCYHDDGWWGTC-PMPSAXMXSA-N 2 1 297.487 2.378 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872315215 649354715 /nfs/dbraw/zinc/35/47/15/649354715.db2.gz PIAVGCHDZQQCDL-CABCVRRESA-N 2 1 263.385 2.273 20 0 CEADMP C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208987 649589731 /nfs/dbraw/zinc/58/97/31/649589731.db2.gz GRBKCIDVPLAUQV-TYNCELHUSA-N 2 1 294.464 2.375 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3[C@@H]4OC[C@H]5C[C@H]3C[C@H]45)CC[NH2+]2)cc1 ZINC000873215969 649593332 /nfs/dbraw/zinc/59/33/32/649593332.db2.gz HOJUZCRXWWYPOD-NOQVWOFTSA-N 2 1 298.430 2.493 20 0 CEADMP COCCC1([NH2+]Cc2ccc(OC)c(F)c2)CC[NH2+]CC1 ZINC000873224363 649598041 /nfs/dbraw/zinc/59/80/41/649598041.db2.gz DCCQKJBIALPORD-UHFFFAOYSA-N 2 1 296.386 2.083 20 0 CEADMP CC(C)[NH+]1CCC(CCN[C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000873242488 649606111 /nfs/dbraw/zinc/60/61/11/649606111.db2.gz QGVNBLRJYVDUBK-HOCLYGCPSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCSCCC(F)(F)F ZINC000873251170 649609152 /nfs/dbraw/zinc/60/91/52/649609152.db2.gz JPUBALPVFHHRPI-VHSXEESVSA-N 2 1 270.364 2.260 20 0 CEADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262017 649615960 /nfs/dbraw/zinc/61/59/60/649615960.db2.gz VGOJEHHAOHDYMD-XEIOYGOASA-N 2 1 287.451 2.065 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1noc2cc(F)ccc12 ZINC000873276021 649621341 /nfs/dbraw/zinc/62/13/41/649621341.db2.gz PVMITSQBLFMRPZ-BXKDBHETSA-N 2 1 263.316 2.184 20 0 CEADMP C[C@H]([NH2+]C1([C@H]2CCCCO2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000873276342 649621977 /nfs/dbraw/zinc/62/19/77/649621977.db2.gz SMDYHLBQOZJAFQ-MELADBBJSA-N 2 1 252.402 2.208 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873296406 649631928 /nfs/dbraw/zinc/63/19/28/649631928.db2.gz YZQISHRSOCQVCM-MFNGEMCRSA-N 2 1 259.397 2.217 20 0 CEADMP CC1(C)C[C@@H](C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C(C)(C)O1 ZINC000878517395 651118966 /nfs/dbraw/zinc/11/89/66/651118966.db2.gz LDNIWZIKYLYXMD-ZDUSSCGKSA-N 2 1 292.427 2.125 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CC3(CCC3)CO1)C2 ZINC000878663114 651157084 /nfs/dbraw/zinc/15/70/84/651157084.db2.gz VLTKEYSNHHRJGJ-DOTOQJQBSA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CC3(CCC3)CO1)C2 ZINC000878663114 651157085 /nfs/dbraw/zinc/15/70/85/651157085.db2.gz VLTKEYSNHHRJGJ-DOTOQJQBSA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CC3(CCC3)CO1)C2 ZINC000878663114 651157088 /nfs/dbraw/zinc/15/70/88/651157088.db2.gz VLTKEYSNHHRJGJ-DOTOQJQBSA-N 2 1 278.440 2.363 20 0 CEADMP CCCCOC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878864727 651200489 /nfs/dbraw/zinc/20/04/89/651200489.db2.gz MVNLCHMJKUTPFA-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)CCC2(C)C)CC1 ZINC000879034165 651231994 /nfs/dbraw/zinc/23/19/94/651231994.db2.gz ZHMCQAGFKILQAW-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP COc1ccc(CC[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879570106 651323610 /nfs/dbraw/zinc/32/36/10/651323610.db2.gz AAHBDKYJKAXOJH-NVXWUHKLSA-N 2 1 274.408 2.264 20 0 CEADMP COc1ccc(CC[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000879570106 651323611 /nfs/dbraw/zinc/32/36/11/651323611.db2.gz AAHBDKYJKAXOJH-NVXWUHKLSA-N 2 1 274.408 2.264 20 0 CEADMP COc1ccc(CC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000879570106 651323613 /nfs/dbraw/zinc/32/36/13/651323613.db2.gz AAHBDKYJKAXOJH-NVXWUHKLSA-N 2 1 274.408 2.264 20 0 CEADMP Cc1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000879574275 651324645 /nfs/dbraw/zinc/32/46/45/651324645.db2.gz YXWQHJGBDDFTPH-BRWVUGGUSA-N 2 1 274.408 2.054 20 0 CEADMP Cc1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000879574275 651324646 /nfs/dbraw/zinc/32/46/46/651324646.db2.gz YXWQHJGBDDFTPH-BRWVUGGUSA-N 2 1 274.408 2.054 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879574275 651324647 /nfs/dbraw/zinc/32/46/47/651324647.db2.gz YXWQHJGBDDFTPH-BRWVUGGUSA-N 2 1 274.408 2.054 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879574275 651324648 /nfs/dbraw/zinc/32/46/48/651324648.db2.gz YXWQHJGBDDFTPH-BRWVUGGUSA-N 2 1 274.408 2.054 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCOC(C)(C)C)CC[C@H]21 ZINC000879575860 651324941 /nfs/dbraw/zinc/32/49/41/651324941.db2.gz NMDJWMNNJYAOKK-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCOC(C)(C)C)CC[C@H]21 ZINC000879575860 651324942 /nfs/dbraw/zinc/32/49/42/651324942.db2.gz NMDJWMNNJYAOKK-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCOC(C)(C)C)CC[C@H]21 ZINC000879575860 651324943 /nfs/dbraw/zinc/32/49/43/651324943.db2.gz NMDJWMNNJYAOKK-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOC(C)(C)C)CC[C@H]21 ZINC000879575860 651324944 /nfs/dbraw/zinc/32/49/44/651324944.db2.gz NMDJWMNNJYAOKK-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879578589 651325844 /nfs/dbraw/zinc/32/58/44/651325844.db2.gz FOLOYNMSNFQDDI-NRSFXHEJSA-N 2 1 288.435 2.177 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879578589 651325846 /nfs/dbraw/zinc/32/58/46/651325846.db2.gz FOLOYNMSNFQDDI-NRSFXHEJSA-N 2 1 288.435 2.177 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879578589 651325849 /nfs/dbraw/zinc/32/58/49/651325849.db2.gz FOLOYNMSNFQDDI-NRSFXHEJSA-N 2 1 288.435 2.177 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCCc3ccncc3)CC[C@@H]21 ZINC000879580397 651326410 /nfs/dbraw/zinc/32/64/10/651326410.db2.gz HBXBYPOWJHDMMA-HOTGVXAUSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCCc3ccncc3)CC[C@@H]21 ZINC000879580397 651326411 /nfs/dbraw/zinc/32/64/11/651326411.db2.gz HBXBYPOWJHDMMA-HOTGVXAUSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCc3ccncc3)CC[C@@H]21 ZINC000879580397 651326412 /nfs/dbraw/zinc/32/64/12/651326412.db2.gz HBXBYPOWJHDMMA-HOTGVXAUSA-N 2 1 259.397 2.040 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)n1 ZINC000880259097 651411830 /nfs/dbraw/zinc/41/18/30/651411830.db2.gz MRSXRKLHYFFPMJ-MRXNPFEDSA-N 2 1 299.422 2.106 20 0 CEADMP CC(C)OCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260249 651412239 /nfs/dbraw/zinc/41/22/39/651412239.db2.gz OTOFSLMNJBCDRT-AWEZNQCLSA-N 2 1 263.385 2.017 20 0 CEADMP OC[C@@H]1C=CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000880492388 651450070 /nfs/dbraw/zinc/45/00/70/651450070.db2.gz QZRRYQVVKNLJLO-SFHVURJKSA-N 2 1 286.419 2.405 20 0 CEADMP CC(C)[N@@H+](C)CCCNCc1ccc2oc(=O)oc2c1 ZINC000882885566 652248897 /nfs/dbraw/zinc/24/88/97/652248897.db2.gz CTQNMKHNHXDOAR-UHFFFAOYSA-N 2 1 278.352 2.206 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000882885566 652248900 /nfs/dbraw/zinc/24/89/00/652248900.db2.gz CTQNMKHNHXDOAR-UHFFFAOYSA-N 2 1 278.352 2.206 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000882885566 652248906 /nfs/dbraw/zinc/24/89/06/652248906.db2.gz CTQNMKHNHXDOAR-UHFFFAOYSA-N 2 1 278.352 2.206 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(Cl)c1N ZINC000882941039 652278813 /nfs/dbraw/zinc/27/88/13/652278813.db2.gz HBPOKBANDQGSOX-SNVBAGLBSA-N 2 1 255.793 2.352 20 0 CEADMP C[C@H](C[NH2+]Cc1cccc(Cl)c1N)C[NH+](C)C ZINC000883127210 652370581 /nfs/dbraw/zinc/37/05/81/652370581.db2.gz PBYRQWWJAWQITF-SNVBAGLBSA-N 2 1 255.793 2.210 20 0 CEADMP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H]1CCCOC1 ZINC000883353327 652438707 /nfs/dbraw/zinc/43/87/07/652438707.db2.gz SHWJJNHZRAKPMD-GXTWGEPZSA-N 2 1 297.468 2.500 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883418458 652462785 /nfs/dbraw/zinc/46/27/85/652462785.db2.gz IYKXZTTXMDKCLM-HOTGVXAUSA-N 2 1 298.471 2.267 20 0 CEADMP C([C@H]1CCC2(CCC2)O1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000883429317 652466331 /nfs/dbraw/zinc/46/63/31/652466331.db2.gz RXLCMKFSHHPQHP-OWCLPIDISA-N 2 1 278.440 2.410 20 0 CEADMP C[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)O1)C1CC([NH3+])C1 ZINC000883429527 652467122 /nfs/dbraw/zinc/46/71/22/652467122.db2.gz YAGOOLFGTVOVBN-CKUJCDMFSA-N 2 1 260.381 2.328 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000883433991 652468860 /nfs/dbraw/zinc/46/88/60/652468860.db2.gz DFVWQKWYTVTCQR-ZNMIVQPWSA-N 2 1 293.411 2.010 20 0 CEADMP COC(=O)C(C)(C)C[N@@H+](CC(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000883461244 652478238 /nfs/dbraw/zinc/47/82/38/652478238.db2.gz QISIUYOMULISTL-CQSZACIVSA-N 2 1 284.444 2.143 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])C(C)C)C1 ZINC000884229360 652759622 /nfs/dbraw/zinc/75/96/22/652759622.db2.gz OXFVFLYZBAWKMO-GJZGRUSLSA-N 2 1 297.487 2.186 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[C@H]([NH3+])C(C)C)C1 ZINC000884229361 652759787 /nfs/dbraw/zinc/75/97/87/652759787.db2.gz OXFVFLYZBAWKMO-HUUCEWRRSA-N 2 1 297.487 2.186 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884381099 652825961 /nfs/dbraw/zinc/82/59/61/652825961.db2.gz UYGIHDABCJLCGE-AWEZNQCLSA-N 2 1 285.476 2.090 20 0 CEADMP CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135313347 652964749 /nfs/dbraw/zinc/96/47/49/652964749.db2.gz UVYUGVBOSWXPAS-UONOGXRCSA-N 2 1 297.443 2.118 20 0 CEADMP CO[C@H](C)C1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168004181 805649781 /nfs/dbraw/zinc/64/97/81/805649781.db2.gz RMBVQIISKFSASM-AJSFGMTHSA-N 2 1 278.440 2.359 20 0 CEADMP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001271103015 805740463 /nfs/dbraw/zinc/74/04/63/805740463.db2.gz TZLWEENNMLVAFC-MIVXPEEVSA-N 2 1 295.471 2.121 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC ZINC001087602409 805760218 /nfs/dbraw/zinc/76/02/18/805760218.db2.gz OGXARTPQEIJRPS-OWCLPIDISA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC ZINC001087602409 805760219 /nfs/dbraw/zinc/76/02/19/805760219.db2.gz OGXARTPQEIJRPS-OWCLPIDISA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC ZINC001087602409 805760221 /nfs/dbraw/zinc/76/02/21/805760221.db2.gz OGXARTPQEIJRPS-OWCLPIDISA-N 2 1 295.471 2.238 20 0 CEADMP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001271279045 805906918 /nfs/dbraw/zinc/90/69/18/805906918.db2.gz WDBYVRAFALSVJG-CABCVRRESA-N 2 1 283.460 2.001 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)NCCC3)C1 ZINC001205015698 805944908 /nfs/dbraw/zinc/94/49/08/805944908.db2.gz CWSCPDGOSOBHFB-HNNXBMFYSA-N 2 1 273.424 2.476 20 0 CEADMP C[NH+](C)CCCCC(=O)N1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001271676266 806017922 /nfs/dbraw/zinc/01/79/22/806017922.db2.gz MIAXJLYJUJWQBR-KRWDZBQOSA-N 2 1 295.471 2.053 20 0 CEADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC001168091999 806139724 /nfs/dbraw/zinc/13/97/24/806139724.db2.gz DOOXQFRGPCODPC-RDBSUJKOSA-N 2 1 254.418 2.406 20 0 CEADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC001168091999 806139729 /nfs/dbraw/zinc/13/97/29/806139729.db2.gz DOOXQFRGPCODPC-RDBSUJKOSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)CCO1 ZINC001168106539 806175057 /nfs/dbraw/zinc/17/50/57/806175057.db2.gz ZKZKWINVZCDXSC-KFWWJZLASA-N 2 1 254.418 2.395 20 0 CEADMP COc1ccccc1OCC[N@H+](C)CCn1cc[nH+]c1C ZINC000342550698 806271823 /nfs/dbraw/zinc/27/18/23/806271823.db2.gz UBOMSFNFAUJFOP-UHFFFAOYSA-N 2 1 289.379 2.211 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)CCn1cc[nH+]c1C ZINC000342550698 806271829 /nfs/dbraw/zinc/27/18/29/806271829.db2.gz UBOMSFNFAUJFOP-UHFFFAOYSA-N 2 1 289.379 2.211 20 0 CEADMP CC[N@@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001030014643 806350237 /nfs/dbraw/zinc/35/02/37/806350237.db2.gz GFIUXGRZGQQOJB-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc(C[NH3+])cn2)nc1 ZINC001168256827 806447303 /nfs/dbraw/zinc/44/73/03/806447303.db2.gz HQYNXZNTKDBWAY-ZDUSSCGKSA-N 2 1 285.395 2.100 20 0 CEADMP COc1ccc2c(c1)C[C@@H](n1cc[nH+]c1CCC[NH3+])C2 ZINC001168261074 806451545 /nfs/dbraw/zinc/45/15/45/806451545.db2.gz SDUXQOFJBXYEAZ-AWEZNQCLSA-N 2 1 271.364 2.123 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1C ZINC001088579421 806478872 /nfs/dbraw/zinc/47/88/72/806478872.db2.gz GIROXOAFZLPQTI-FXUDXRNXSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001088579421 806478875 /nfs/dbraw/zinc/47/88/75/806478875.db2.gz GIROXOAFZLPQTI-FXUDXRNXSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001088579421 806478882 /nfs/dbraw/zinc/47/88/82/806478882.db2.gz GIROXOAFZLPQTI-FXUDXRNXSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)[C@@H]1C ZINC001088605321 806504759 /nfs/dbraw/zinc/50/47/59/806504759.db2.gz PHCQWLNJMVBVGU-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(C)C)[C@@H]1C ZINC001088605321 806504766 /nfs/dbraw/zinc/50/47/66/806504766.db2.gz PHCQWLNJMVBVGU-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(C)C)[C@@H]1C ZINC001088605321 806504771 /nfs/dbraw/zinc/50/47/71/806504771.db2.gz PHCQWLNJMVBVGU-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H](C)[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168315359 806648669 /nfs/dbraw/zinc/64/86/69/806648669.db2.gz VEWSHWHKHKHDPA-LMRVLLHPSA-N 2 1 282.428 2.133 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](Oc3ccccn3)C2)CC1 ZINC001168328219 806658947 /nfs/dbraw/zinc/65/89/47/806658947.db2.gz AEZBWVZQMBRCOU-GPANFISMSA-N 2 1 289.423 2.408 20 0 CEADMP CC(C)N1CCOC[C@@]2(CCC[N@@H+](C[C@@H]3C[C@H]3C)C2)C1 ZINC001209419233 802515389 /nfs/dbraw/zinc/51/53/89/802515389.db2.gz WFONJTUDNFJUQD-IXDOHACOSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C[C@@H]3C[C@H]3C)C2)C1 ZINC001209419233 802515394 /nfs/dbraw/zinc/51/53/94/802515394.db2.gz WFONJTUDNFJUQD-IXDOHACOSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C[C@@H]3C[C@H]3C)C2)C1 ZINC001209419233 802515401 /nfs/dbraw/zinc/51/54/01/802515401.db2.gz WFONJTUDNFJUQD-IXDOHACOSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C[C@@H]3C[C@H]3C)C2)C1 ZINC001209419233 802515404 /nfs/dbraw/zinc/51/54/04/802515404.db2.gz WFONJTUDNFJUQD-IXDOHACOSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C[C@@H]3C[C@H]3C)C2)C1 ZINC001209419233 802515408 /nfs/dbraw/zinc/51/54/08/802515408.db2.gz WFONJTUDNFJUQD-IXDOHACOSA-N 2 1 280.456 2.465 20 0 CEADMP Nc1ccc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)[nH+]c1 ZINC001167160449 802551590 /nfs/dbraw/zinc/55/15/90/802551590.db2.gz PHTNUWRWBZQXKZ-UHFFFAOYSA-N 2 1 294.402 2.305 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+]C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001169974448 811805256 /nfs/dbraw/zinc/80/52/56/811805256.db2.gz GHEGVVCTRUIRRH-ZDUSSCGKSA-N 2 1 283.460 2.471 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])o1 ZINC000723649763 802916070 /nfs/dbraw/zinc/91/60/70/802916070.db2.gz GXODYJAPFPDQPE-MFKMUULPSA-N 2 1 251.374 2.241 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])o1 ZINC000723649762 802916372 /nfs/dbraw/zinc/91/63/72/802916372.db2.gz GXODYJAPFPDQPE-GXFFZTMASA-N 2 1 251.374 2.241 20 0 CEADMP CCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001266813007 802917384 /nfs/dbraw/zinc/91/73/84/802917384.db2.gz DASSNOYFKXNOGP-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000723698994 802925702 /nfs/dbraw/zinc/92/57/02/802925702.db2.gz LGAMVZPYTJQNIV-SNVBAGLBSA-N 2 1 299.777 2.088 20 0 CEADMP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001266826330 802926939 /nfs/dbraw/zinc/92/69/39/802926939.db2.gz PRKPLRBPTMESNS-MRXNPFEDSA-N 2 1 295.471 2.121 20 0 CEADMP Cc1cc(C)nc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000723878715 802959983 /nfs/dbraw/zinc/95/99/83/802959983.db2.gz FZZBOCFYLXBQPM-GOEBONIOSA-N 2 1 259.397 2.272 20 0 CEADMP Cc1cc(C)nc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000723878715 802959986 /nfs/dbraw/zinc/95/99/86/802959986.db2.gz FZZBOCFYLXBQPM-GOEBONIOSA-N 2 1 259.397 2.272 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1CC[NH3+] ZINC000723906671 802966510 /nfs/dbraw/zinc/96/65/10/802966510.db2.gz CPKWKPIKQVUJSL-CZUORRHYSA-N 2 1 274.408 2.081 20 0 CEADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@H]1CCCOC1 ZINC000723966662 802978262 /nfs/dbraw/zinc/97/82/62/802978262.db2.gz AJGAXTZDZXQOEV-KKUMJFAQSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CC[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000399194837 802978803 /nfs/dbraw/zinc/97/88/03/802978803.db2.gz RRQQIQFJHAZMOI-BPQIPLTHSA-N 2 1 287.451 2.381 20 0 CEADMP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267044035 803075403 /nfs/dbraw/zinc/07/54/03/803075403.db2.gz FYFBUTFYHFELJQ-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)=CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167628278 803218067 /nfs/dbraw/zinc/21/80/67/803218067.db2.gz YNUJSWPSIWOPFG-MRXNPFEDSA-N 2 1 295.471 2.311 20 0 CEADMP C(CC1SCCS1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000693791925 803319260 /nfs/dbraw/zinc/31/92/60/803319260.db2.gz SOUMSJNBHSBPFM-NWDGAFQWSA-N 2 1 272.483 2.399 20 0 CEADMP C[C@@H]([NH2+]CCC1SCCS1)[C@H]1CCCC[NH2+]1 ZINC000693804299 803323462 /nfs/dbraw/zinc/32/34/62/803323462.db2.gz JHKRJWSRVGGNCL-GHMZBOCLSA-N 2 1 260.472 2.303 20 0 CEADMP OCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000725114198 803431004 /nfs/dbraw/zinc/43/10/04/803431004.db2.gz KANBASKKMDSLAH-MRXNPFEDSA-N 2 1 266.429 2.144 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]CC1CCCCCC1 ZINC001267475199 803499806 /nfs/dbraw/zinc/49/98/06/803499806.db2.gz YLSHMVJWYJSXGL-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP CC[N@@H+]1CCN(Cc2c[nH]c3cc[nH+]cc23)[C@H](C)C1 ZINC001140806771 803559027 /nfs/dbraw/zinc/55/90/27/803559027.db2.gz RPBKVWOGDHVCFK-GFCCVEGCSA-N 2 1 258.369 2.089 20 0 CEADMP CC[N@H+]1CCN(Cc2c[nH]c3cc[nH+]cc23)[C@H](C)C1 ZINC001140806771 803559033 /nfs/dbraw/zinc/55/90/33/803559033.db2.gz RPBKVWOGDHVCFK-GFCCVEGCSA-N 2 1 258.369 2.089 20 0 CEADMP CC(C)c1noc([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC001207438736 803612328 /nfs/dbraw/zinc/61/23/28/803612328.db2.gz GHMUHYJCFDFSHZ-CQSZACIVSA-N 2 1 292.427 2.372 20 0 CEADMP COc1cccc([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC001207441642 803620467 /nfs/dbraw/zinc/62/04/67/803620467.db2.gz HUXVLHODVUBULU-MRXNPFEDSA-N 2 1 274.408 2.484 20 0 CEADMP COC1(C[N@H+]2CCC3(C2)CC[NH2+]CC3)CCCC1 ZINC000692522673 803633250 /nfs/dbraw/zinc/63/32/50/803633250.db2.gz FNIUJWXTRFLIEB-UHFFFAOYSA-N 2 1 252.402 2.021 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CC[C@H](C3CC3)O1)C2 ZINC000715395147 814952811 /nfs/dbraw/zinc/95/28/11/814952811.db2.gz QAFYIIBZIZDMLX-JONQDZQNSA-N 2 1 264.413 2.005 20 0 CEADMP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267725607 803677918 /nfs/dbraw/zinc/67/79/18/803677918.db2.gz UCWGXQKKNQFWBH-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-n2ccc(CC[NH3+])n2)nc1 ZINC001167728317 803686444 /nfs/dbraw/zinc/68/64/44/803686444.db2.gz PLIVZLNTXQILHA-AWEZNQCLSA-N 2 1 299.422 2.143 20 0 CEADMP C([C@@H]1CC[C@@H](C2CC2)O1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715392267 814962876 /nfs/dbraw/zinc/96/28/76/814962876.db2.gz IODCTZBVVFVZAR-UGUYLWEFSA-N 2 1 264.413 2.018 20 0 CEADMP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267889649 803802355 /nfs/dbraw/zinc/80/23/55/803802355.db2.gz OJZRZZWBYJPOSR-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCOC(=O)[C@H]1CC2(C[N@H+]1CCC(C)(C)C)CC[NH2+]CC2 ZINC001222215579 803815440 /nfs/dbraw/zinc/81/54/40/803815440.db2.gz IGFVOEZEBVCCIK-CQSZACIVSA-N 2 1 296.455 2.430 20 0 CEADMP O[C@]1(C(F)(F)F)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709460908 803865624 /nfs/dbraw/zinc/86/56/24/803865624.db2.gz HAVLHDRMXOWOFQ-ZGVCCVRISA-N 2 1 292.345 2.049 20 0 CEADMP COC(=O)c1csc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000715582004 814975049 /nfs/dbraw/zinc/97/50/49/814975049.db2.gz WCIZWZHKKXRQDX-CHWSQXEVSA-N 2 1 296.436 2.497 20 0 CEADMP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@H]1CCCCN1 ZINC000715553485 814978613 /nfs/dbraw/zinc/97/86/13/814978613.db2.gz RUDPLGQTWAJKKC-JWMHWRSXSA-N 2 1 267.461 2.370 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027407234 804063718 /nfs/dbraw/zinc/06/37/18/804063718.db2.gz BLYZJFWDDQNUMX-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027407234 804063728 /nfs/dbraw/zinc/06/37/28/804063728.db2.gz BLYZJFWDDQNUMX-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001027407234 804063735 /nfs/dbraw/zinc/06/37/35/804063735.db2.gz BLYZJFWDDQNUMX-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027408690 804066104 /nfs/dbraw/zinc/06/61/04/804066104.db2.gz WCAVHELTZFOWGR-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027408690 804066117 /nfs/dbraw/zinc/06/61/17/804066117.db2.gz WCAVHELTZFOWGR-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CN(C)CC1(C[NH2+]CC2CC[NH+](C)CC2)CCCC1 ZINC000893587617 804318849 /nfs/dbraw/zinc/31/88/49/804318849.db2.gz GQBQKFSFVVQLIA-UHFFFAOYSA-N 2 1 267.461 2.040 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](CC(=O)OC)C1 ZINC001167834465 804418196 /nfs/dbraw/zinc/41/81/96/804418196.db2.gz KHYBXQYPDBGRPL-LSDHHAIUSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001167838482 804430956 /nfs/dbraw/zinc/43/09/56/804430956.db2.gz VMGRLMWHJYKAPH-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2nccn2CC1 ZINC001167837149 804431201 /nfs/dbraw/zinc/43/12/01/804431201.db2.gz IMDFVJJTJFGSPC-HNNXBMFYSA-N 2 1 278.444 2.252 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001167837149 804431203 /nfs/dbraw/zinc/43/12/03/804431203.db2.gz IMDFVJJTJFGSPC-HNNXBMFYSA-N 3 1 278.444 2.252 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001167837149 804431209 /nfs/dbraw/zinc/43/12/09/804431209.db2.gz IMDFVJJTJFGSPC-HNNXBMFYSA-N 3 1 278.444 2.252 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](O)C[C@H]1C ZINC001167839305 804434513 /nfs/dbraw/zinc/43/45/13/804434513.db2.gz XIWSNHXONUXLAL-RBSFLKMASA-N 2 1 256.434 2.342 20 0 CEADMP CCCC[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000037150290 815017902 /nfs/dbraw/zinc/01/79/02/815017902.db2.gz VKGBFWWZCDIFRL-ALOPSCKCSA-N 3 1 279.472 2.466 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC001167841967 804447700 /nfs/dbraw/zinc/44/77/00/804447700.db2.gz VFKBWPKOZHIMNQ-OAHLLOKOSA-N 2 1 283.460 2.050 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(C(C)C)C(=O)C1 ZINC001167841967 804447703 /nfs/dbraw/zinc/44/77/03/804447703.db2.gz VFKBWPKOZHIMNQ-OAHLLOKOSA-N 2 1 283.460 2.050 20 0 CEADMP C[NH+]1CCC([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000716068535 815020973 /nfs/dbraw/zinc/02/09/73/815020973.db2.gz AAJFBFGTVQBVEX-QXMXGUDHSA-N 2 1 254.443 2.344 20 0 CEADMP CCCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001268425345 804665114 /nfs/dbraw/zinc/66/51/14/804665114.db2.gz DLSNQQTZUFJQJF-CABCVRRESA-N 2 1 283.460 2.145 20 0 CEADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC1(C)COC1 ZINC001207801752 804690315 /nfs/dbraw/zinc/69/03/15/804690315.db2.gz RKWBPUXDUOAECR-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP COC(=O)c1ccc(NC(=[NH2+])SCC[NH3+])c(C)c1C ZINC001167914984 804704183 /nfs/dbraw/zinc/70/41/83/804704183.db2.gz CNIRPOVNXKAZIN-UHFFFAOYSA-N 2 1 281.381 2.129 20 0 CEADMP CCCCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001269138371 805060463 /nfs/dbraw/zinc/06/04/63/805060463.db2.gz JJNJDCOMHWCKMF-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001269138371 805060471 /nfs/dbraw/zinc/06/04/71/805060471.db2.gz JJNJDCOMHWCKMF-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001269138371 805060482 /nfs/dbraw/zinc/06/04/82/805060482.db2.gz JJNJDCOMHWCKMF-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CC/C=C/CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001269407397 805156234 /nfs/dbraw/zinc/15/62/34/805156234.db2.gz DGOQTHRDZUSLRA-AVFOFMLLSA-N 2 1 295.471 2.167 20 0 CEADMP C(C[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958442 805285049 /nfs/dbraw/zinc/28/50/49/805285049.db2.gz DQDRPGKGKMIWAO-ALOPSCKCSA-N 2 1 277.456 2.077 20 0 CEADMP O[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167961110 805346328 /nfs/dbraw/zinc/34/63/28/805346328.db2.gz FKZZFMNKLKZGMF-AKBNIOSXSA-N 2 1 278.440 2.142 20 0 CEADMP CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001029003192 805423985 /nfs/dbraw/zinc/42/39/85/805423985.db2.gz IJLMMRBZIRINSI-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001029003192 805423992 /nfs/dbraw/zinc/42/39/92/805423992.db2.gz IJLMMRBZIRINSI-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001029003192 805423996 /nfs/dbraw/zinc/42/39/96/805423996.db2.gz IJLMMRBZIRINSI-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)[C@@H]1CCCOC1 ZINC001167964028 805443011 /nfs/dbraw/zinc/44/30/11/805443011.db2.gz LEGZVUZIINUTQA-XYTVBORESA-N 2 1 278.440 2.408 20 0 CEADMP C[N@H+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167964039 805443747 /nfs/dbraw/zinc/44/37/47/805443747.db2.gz LSYNXKCAHLRGPD-NPYXIHBLSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964039 805443750 /nfs/dbraw/zinc/44/37/50/805443750.db2.gz LSYNXKCAHLRGPD-NPYXIHBLSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964039 805443756 /nfs/dbraw/zinc/44/37/56/805443756.db2.gz LSYNXKCAHLRGPD-NPYXIHBLSA-N 2 1 277.456 2.076 20 0 CEADMP CN1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964039 805443761 /nfs/dbraw/zinc/44/37/61/805443761.db2.gz LSYNXKCAHLRGPD-NPYXIHBLSA-N 2 1 277.456 2.076 20 0 CEADMP CN1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964039 805443765 /nfs/dbraw/zinc/44/37/65/805443765.db2.gz LSYNXKCAHLRGPD-NPYXIHBLSA-N 2 1 277.456 2.076 20 0 CEADMP c1nnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)s1 ZINC001167975194 805505533 /nfs/dbraw/zinc/50/55/33/805505533.db2.gz LKLBDGPVIGYMAO-AGUYFDCRSA-N 2 1 292.452 2.076 20 0 CEADMP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCOC1 ZINC001167977528 805511430 /nfs/dbraw/zinc/51/14/30/805511430.db2.gz DIVSDDFJJFGNRQ-HMQMGEFJSA-N 2 1 278.440 2.408 20 0 CEADMP CN(CCC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981799 805515872 /nfs/dbraw/zinc/51/58/72/805515872.db2.gz KNIUGILNWVQOQZ-SJPCQFCGSA-N 2 1 279.472 2.275 20 0 CEADMP CC(C)[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001029108382 805538354 /nfs/dbraw/zinc/53/83/54/805538354.db2.gz GYSMFFRNZCACRF-CQSZACIVSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccccn2)no1 ZINC001212145163 807019575 /nfs/dbraw/zinc/01/95/75/807019575.db2.gz MMYHQBZTDQBPRA-LBPRGKRZSA-N 2 1 289.383 2.300 20 0 CEADMP C[N@@H+](C1CC1)[C@@H]1CCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001168388708 807047955 /nfs/dbraw/zinc/04/79/55/807047955.db2.gz GOWLULPDCNYORC-QGZVFWFLSA-N 2 1 277.456 2.029 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716303899 815112005 /nfs/dbraw/zinc/11/20/05/815112005.db2.gz XHPBRHCXMRYKNL-BFHYXJOUSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)CO2)CC[C@H]1[NH3+] ZINC000716276202 815108970 /nfs/dbraw/zinc/10/89/70/815108970.db2.gz COMRSLDCQYGOLI-HZSPNIEDSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716279667 815109839 /nfs/dbraw/zinc/10/98/39/815109839.db2.gz SHAFDZXIWSUGTP-KKUMJFAQSA-N 2 1 266.429 2.395 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716279675 815110099 /nfs/dbraw/zinc/11/00/99/815110099.db2.gz SHAFDZXIWSUGTP-ZNMIVQPWSA-N 2 1 266.429 2.395 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCC4(CCC4)CO3)C[C@@H]21 ZINC000716312518 815113342 /nfs/dbraw/zinc/11/33/42/815113342.db2.gz VOVBXICUXXPXKG-LVQVYYBASA-N 2 1 278.440 2.395 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001089226533 807441001 /nfs/dbraw/zinc/44/10/01/807441001.db2.gz IHMPNCFOXQRMBJ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001089226533 807441003 /nfs/dbraw/zinc/44/10/03/807441003.db2.gz IHMPNCFOXQRMBJ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001089226533 807441006 /nfs/dbraw/zinc/44/10/06/807441006.db2.gz IHMPNCFOXQRMBJ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001089226530 807442035 /nfs/dbraw/zinc/44/20/35/807442035.db2.gz IHMPNCFOXQRMBJ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001089226530 807442040 /nfs/dbraw/zinc/44/20/40/807442040.db2.gz IHMPNCFOXQRMBJ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001089226530 807442045 /nfs/dbraw/zinc/44/20/45/807442045.db2.gz IHMPNCFOXQRMBJ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCCCC[N@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001272470556 807512889 /nfs/dbraw/zinc/51/28/89/807512889.db2.gz IOIQNYYOCZYEPT-KRWDZBQOSA-N 2 1 295.471 2.195 20 0 CEADMP CC(C)(C)CC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127257016 807538191 /nfs/dbraw/zinc/53/81/91/807538191.db2.gz UWCIFGJHAZSLHP-GJZGRUSLSA-N 2 1 295.471 2.003 20 0 CEADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205101224 807629883 /nfs/dbraw/zinc/62/98/83/807629883.db2.gz BSAQTDWIQGKKGF-CQSZACIVSA-N 2 1 257.381 2.492 20 0 CEADMP OC/C=C/C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716635346 815137071 /nfs/dbraw/zinc/13/70/71/815137071.db2.gz FIWIZLJLTKTWGV-SFNRIZHHSA-N 2 1 286.419 2.178 20 0 CEADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699283426 807670474 /nfs/dbraw/zinc/67/04/74/807670474.db2.gz SCXUSUQHCAUWGN-LUGNKYPNSA-N 2 1 252.402 2.016 20 0 CEADMP CN(C)CC(C)(C)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715237980 807762273 /nfs/dbraw/zinc/76/22/73/807762273.db2.gz YNRUSNQWIXTBBO-UHFFFAOYSA-N 2 1 255.450 2.037 20 0 CEADMP C[C@H]1C[N@H+](Cc2cc(Cl)cn3ccnc23)C[C@H]1C[NH3+] ZINC001205155950 807842184 /nfs/dbraw/zinc/84/21/84/807842184.db2.gz IKEITUANTXFBGK-CMPLNLGQSA-N 2 1 278.787 2.014 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(Cl)cn3ccnc23)C[C@H]1C[NH3+] ZINC001205155950 807842192 /nfs/dbraw/zinc/84/21/92/807842192.db2.gz IKEITUANTXFBGK-CMPLNLGQSA-N 2 1 278.787 2.014 20 0 CEADMP C[N@H+]1CCCC[C@H]1c1ccc(Nc2nccnc2C[NH3+])nc1 ZINC001171449582 815162104 /nfs/dbraw/zinc/16/21/04/815162104.db2.gz IQUAKKOCGSJZHD-AWEZNQCLSA-N 2 1 298.394 2.231 20 0 CEADMP CCC/C=C/CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127701149 808203533 /nfs/dbraw/zinc/20/35/33/808203533.db2.gz KNVQPSZBYGMCGH-APPUJDCNSA-N 2 1 295.471 2.169 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@H](C)CC(C)C)CC[N@H+]1C ZINC001127701074 808203744 /nfs/dbraw/zinc/20/37/44/808203744.db2.gz HKSFTONQTQLONZ-OWCLPIDISA-N 2 1 297.487 2.105 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCC)C1 ZINC001032119788 808294636 /nfs/dbraw/zinc/29/46/36/808294636.db2.gz ZHFHBHSVPKWCHD-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2C1 ZINC001120071839 815195270 /nfs/dbraw/zinc/19/52/70/815195270.db2.gz NWHAAXQRIDRRFB-XUWVNRHRSA-N 2 1 266.429 2.075 20 0 CEADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@H](F)[C@@H](O)CC2)CC1(C)C ZINC001171632190 815202272 /nfs/dbraw/zinc/20/22/72/815202272.db2.gz WKLUFNHWFOLILM-KGLIPLIRSA-N 2 1 286.435 2.433 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]C(C)C ZINC001171596977 815202954 /nfs/dbraw/zinc/20/29/54/815202954.db2.gz SRTNSKGFTHUBGK-CQSZACIVSA-N 2 1 285.476 2.390 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001203455967 808482001 /nfs/dbraw/zinc/48/20/01/808482001.db2.gz MBOGVKGHXRSYLI-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)CC1 ZINC001205208454 808546759 /nfs/dbraw/zinc/54/67/59/808546759.db2.gz CNZQBGADAAYFRB-XHSDSOJGSA-N 2 1 266.429 2.155 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]C[C@@H](C)CC(C)C ZINC001171726270 815218252 /nfs/dbraw/zinc/21/82/52/815218252.db2.gz ZPIIMFLOJHOJCX-INIZCTEOSA-N 2 1 299.503 2.496 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c(C)c1 ZINC000921629186 808644468 /nfs/dbraw/zinc/64/44/68/808644468.db2.gz AFIUXJJJKBDTRW-AWEZNQCLSA-N 2 1 271.364 2.305 20 0 CEADMP C[C@@H]1C[C@H](N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171758868 815225031 /nfs/dbraw/zinc/22/50/31/815225031.db2.gz CAOISRZVQDSMEP-XGXHKWSGSA-N 2 1 299.462 2.285 20 0 CEADMP C[C@@H]1C[C@H](N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171758868 815225033 /nfs/dbraw/zinc/22/50/33/815225033.db2.gz CAOISRZVQDSMEP-XGXHKWSGSA-N 2 1 299.462 2.285 20 0 CEADMP C[C@@H]1C[C@H](N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171758868 815225040 /nfs/dbraw/zinc/22/50/40/815225040.db2.gz CAOISRZVQDSMEP-XGXHKWSGSA-N 2 1 299.462 2.285 20 0 CEADMP CCC1(Nc2ccc([C@H]3CC[N@@H+](C)C3)cc2)C[NH2+]C1 ZINC001168587797 808680725 /nfs/dbraw/zinc/68/07/25/808680725.db2.gz WHQZKWPLZVZAET-AWEZNQCLSA-N 2 1 259.397 2.270 20 0 CEADMP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nc(Cl)nc2c1C[NH2+]C2 ZINC001168593729 808688464 /nfs/dbraw/zinc/68/84/64/808688464.db2.gz UCCIFAYSLVYFKJ-JQWIXIFHSA-N 2 1 295.818 2.018 20 0 CEADMP C[C@H]1C[C@H](NC[C@@H]2CC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC001171740369 815232909 /nfs/dbraw/zinc/23/29/09/815232909.db2.gz JXSKMCOLKANEBU-SZMVWBNQSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H]1C[C@H](NC[C@@H]2CC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC001171740369 815232914 /nfs/dbraw/zinc/23/29/14/815232914.db2.gz JXSKMCOLKANEBU-SZMVWBNQSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H]1C[C@H](NC[C@@H]2CC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC001171740369 815232921 /nfs/dbraw/zinc/23/29/21/815232921.db2.gz JXSKMCOLKANEBU-SZMVWBNQSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)CN1Cc1ccccc1 ZINC001171740369 815232927 /nfs/dbraw/zinc/23/29/27/815232927.db2.gz JXSKMCOLKANEBU-SZMVWBNQSA-N 2 1 287.451 2.191 20 0 CEADMP C[NH+](C)C1CCC(N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000715529512 808753228 /nfs/dbraw/zinc/75/32/28/808753228.db2.gz VFGACEYJVFJWNO-UYSNPLJNSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+](C)C1CCC([N@@H+]2CCN3CCCC[C@@H]3C2)CC1 ZINC000715529512 808753231 /nfs/dbraw/zinc/75/32/31/808753231.db2.gz VFGACEYJVFJWNO-UYSNPLJNSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCN3CCCC[C@@H]3C2)CC1 ZINC000715529512 808753233 /nfs/dbraw/zinc/75/32/33/808753233.db2.gz VFGACEYJVFJWNO-UYSNPLJNSA-N 2 1 265.445 2.029 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3Cc4cccc(F)c4C3)C[C@@H]2C1 ZINC001171812543 815242741 /nfs/dbraw/zinc/24/27/41/815242741.db2.gz QYSBFIYBKZLORW-ZNMIVQPWSA-N 2 1 274.383 2.176 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3Cc4cccc(F)c4C3)C[C@@H]2C1 ZINC001171812543 815242742 /nfs/dbraw/zinc/24/27/42/815242742.db2.gz QYSBFIYBKZLORW-ZNMIVQPWSA-N 2 1 274.383 2.176 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3Cc4cccc(F)c4C3)C[C@@H]2C1 ZINC001171812543 815242744 /nfs/dbraw/zinc/24/27/44/815242744.db2.gz QYSBFIYBKZLORW-ZNMIVQPWSA-N 2 1 274.383 2.176 20 0 CEADMP CN1CC[C@@H]2CC[N@@H+](C[C@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC000450694875 808941250 /nfs/dbraw/zinc/94/12/50/808941250.db2.gz IBHLUSUREIBBAO-YNEHKIRRSA-N 2 1 258.356 2.448 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C12CCC2 ZINC000453229026 809043634 /nfs/dbraw/zinc/04/36/34/809043634.db2.gz ZYTMJDAAJDXRLM-HRCADAONSA-N 2 1 296.455 2.035 20 0 CEADMP CN1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171970887 815264552 /nfs/dbraw/zinc/26/45/52/815264552.db2.gz FZGLSHKRHDBDGX-INIZCTEOSA-N 2 1 287.451 2.333 20 0 CEADMP CN1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171970887 815264555 /nfs/dbraw/zinc/26/45/55/815264555.db2.gz FZGLSHKRHDBDGX-INIZCTEOSA-N 2 1 287.451 2.333 20 0 CEADMP CC1(C)C[C@H]([NH2+]C[C@H](O)CF)CC[N@H+]1Cc1ccccc1 ZINC001171978037 815265781 /nfs/dbraw/zinc/26/57/81/815265781.db2.gz INFPTYPXZNEOFN-HZPDHXFCSA-N 2 1 294.414 2.350 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033071208 809167429 /nfs/dbraw/zinc/16/74/29/809167429.db2.gz WYOZDRCCVNUQCO-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033071208 809167433 /nfs/dbraw/zinc/16/74/33/809167433.db2.gz WYOZDRCCVNUQCO-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033071208 809167438 /nfs/dbraw/zinc/16/74/38/809167438.db2.gz WYOZDRCCVNUQCO-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP Cc1[nH]ncc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922848000 809188632 /nfs/dbraw/zinc/18/86/32/809188632.db2.gz JNUQXVJPOXPMQT-UHFFFAOYSA-N 2 1 262.401 2.215 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156383 815282923 /nfs/dbraw/zinc/28/29/23/815282923.db2.gz QJBHCAMANQFZIF-CABCVRRESA-N 2 1 280.387 2.389 20 0 CEADMP COc1ccccc1CCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156383 815282929 /nfs/dbraw/zinc/28/29/29/815282929.db2.gz QJBHCAMANQFZIF-CABCVRRESA-N 2 1 280.387 2.389 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccncc1)C2 ZINC001172100839 815283817 /nfs/dbraw/zinc/28/38/17/815283817.db2.gz SPXZHKVVOFUYHF-PHZGNYQRSA-N 2 1 259.397 2.229 20 0 CEADMP [NH3+]CCON[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061882 815284689 /nfs/dbraw/zinc/28/46/89/815284689.db2.gz JKBBZQHBNHDKFY-BJWYYQGGSA-N 2 1 289.423 2.052 20 0 CEADMP C[N@H+]1C[C@@H]2CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)[C@@H]2C1 ZINC001172126917 815286805 /nfs/dbraw/zinc/28/68/05/815286805.db2.gz ZJBDEDGBNWJEKH-FIDHJVLJSA-N 2 1 277.456 2.028 20 0 CEADMP C[NH+]1C[C@@H]2CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)[C@@H]2C1 ZINC001172126917 815286809 /nfs/dbraw/zinc/28/68/09/815286809.db2.gz ZJBDEDGBNWJEKH-FIDHJVLJSA-N 2 1 277.456 2.028 20 0 CEADMP C[NH+]1C[C@@H]2CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)[C@@H]2C1 ZINC001172126917 815286814 /nfs/dbraw/zinc/28/68/14/815286814.db2.gz ZJBDEDGBNWJEKH-FIDHJVLJSA-N 2 1 277.456 2.028 20 0 CEADMP Cc1nc2c(n1[C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C[NH2+]CC2 ZINC001172127616 815288063 /nfs/dbraw/zinc/28/80/63/815288063.db2.gz KAKGQDNSOWEDBG-BTTYYORXSA-N 2 1 274.412 2.025 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1Cc3ccccc3NC1=O)C2 ZINC001172103895 815293711 /nfs/dbraw/zinc/29/37/11/815293711.db2.gz XUHSFJBGUTVLOX-IVSAIRAKSA-N 2 1 299.418 2.155 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@]13CCOC3)C2 ZINC001172129337 815288483 /nfs/dbraw/zinc/28/84/83/815288483.db2.gz YJDZUXATHBNUKV-QKPAOTATSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@]13CCOC3)C2 ZINC001172129337 815288487 /nfs/dbraw/zinc/28/84/87/815288487.db2.gz YJDZUXATHBNUKV-QKPAOTATSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@]13CCOC3)C2 ZINC001172129337 815288489 /nfs/dbraw/zinc/28/84/89/815288489.db2.gz YJDZUXATHBNUKV-QKPAOTATSA-N 2 1 264.413 2.257 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1Cc3ccccc3NC1=O)C2 ZINC001172103895 815293714 /nfs/dbraw/zinc/29/37/14/815293714.db2.gz XUHSFJBGUTVLOX-IVSAIRAKSA-N 2 1 299.418 2.155 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172131108 815290748 /nfs/dbraw/zinc/29/07/48/815290748.db2.gz VBTWVEWXBGUBLB-YVSFHVDLSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172131108 815290753 /nfs/dbraw/zinc/29/07/53/815290753.db2.gz VBTWVEWXBGUBLB-YVSFHVDLSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172131108 815290757 /nfs/dbraw/zinc/29/07/57/815290757.db2.gz VBTWVEWXBGUBLB-YVSFHVDLSA-N 2 1 279.472 2.416 20 0 CEADMP COc1cc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccn1 ZINC001172106552 815295341 /nfs/dbraw/zinc/29/53/41/815295341.db2.gz QBNBGAYDERTZJY-MUJYYYPQSA-N 2 1 289.423 2.238 20 0 CEADMP Cn1cc(C2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC001172108597 815297925 /nfs/dbraw/zinc/29/79/25/815297925.db2.gz YBAJBHHJYZVTEE-QDMKHBRRSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1cc(C2([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC001172108597 815297929 /nfs/dbraw/zinc/29/79/29/815297929.db2.gz YBAJBHHJYZVTEE-QDMKHBRRSA-N 2 1 274.412 2.014 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@]1(C)CCCOC1)C2 ZINC001172109570 815298131 /nfs/dbraw/zinc/29/81/31/815298131.db2.gz DUFNAGFDUYCCJN-APIJFGDWSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@]1(C)CCCOC1)C2 ZINC001172109570 815298135 /nfs/dbraw/zinc/29/81/35/815298135.db2.gz DUFNAGFDUYCCJN-APIJFGDWSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC13CC[NH+](CC1)CC3)C2 ZINC001172112430 815300017 /nfs/dbraw/zinc/30/00/17/815300017.db2.gz WNMUPGPJNMHDPX-MUJYYYPQSA-N 3 1 277.456 2.077 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC13CC[NH+](CC1)CC3)C2 ZINC001172112430 815300023 /nfs/dbraw/zinc/30/00/23/815300023.db2.gz WNMUPGPJNMHDPX-MUJYYYPQSA-N 2 1 277.456 2.077 20 0 CEADMP CCCC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378040 809593929 /nfs/dbraw/zinc/59/39/29/809593929.db2.gz OJAQKMGOYCCAIX-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOc1ccncc1)C2 ZINC001172114321 815303469 /nfs/dbraw/zinc/30/34/69/815303469.db2.gz QIGIYZYJIKOQPX-QKDCVEJESA-N 2 1 275.396 2.065 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(C)(C)C[C@]1(C)CO)C2 ZINC001172117027 815305779 /nfs/dbraw/zinc/30/57/79/815305779.db2.gz FQKLDJJRRTYOSG-WBTNSWJXSA-N 2 1 280.456 2.485 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(C)(C)C[C@]1(C)CO)C2 ZINC001172117027 815305785 /nfs/dbraw/zinc/30/57/85/815305785.db2.gz FQKLDJJRRTYOSG-WBTNSWJXSA-N 2 1 280.456 2.485 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC(C)(C)C[C@]1(C)CO)C2 ZINC001172117027 815305789 /nfs/dbraw/zinc/30/57/89/815305789.db2.gz FQKLDJJRRTYOSG-WBTNSWJXSA-N 2 1 280.456 2.485 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC(C)(C)C[C@]1(C)CO)C2 ZINC001172117027 815305795 /nfs/dbraw/zinc/30/57/95/815305795.db2.gz FQKLDJJRRTYOSG-WBTNSWJXSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cnc3ccccc3c1)C2 ZINC000703558116 809663023 /nfs/dbraw/zinc/66/30/23/809663023.db2.gz LOFNIDWDWROVBS-DOTOQJQBSA-N 2 1 267.376 2.276 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cnc3ccccc3c1)C2 ZINC000703558116 809663025 /nfs/dbraw/zinc/66/30/25/809663025.db2.gz LOFNIDWDWROVBS-DOTOQJQBSA-N 2 1 267.376 2.276 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000703618809 809671444 /nfs/dbraw/zinc/67/14/44/809671444.db2.gz GQYNRAOFVDOXDY-SWLSCSKDSA-N 2 1 282.334 2.329 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000703618809 809671447 /nfs/dbraw/zinc/67/14/47/809671447.db2.gz GQYNRAOFVDOXDY-SWLSCSKDSA-N 2 1 282.334 2.329 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCN1CCC[C@@H](F)C1)C2 ZINC001172119296 815308604 /nfs/dbraw/zinc/30/86/04/815308604.db2.gz YMSVVRPCWHMBGB-LVQVYYBASA-N 2 1 283.435 2.025 20 0 CEADMP CC[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001034750612 809681323 /nfs/dbraw/zinc/68/13/23/809681323.db2.gz HDFAPXBFPRVCPX-HDJSIYSDSA-N 2 1 292.427 2.043 20 0 CEADMP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034775464 809689850 /nfs/dbraw/zinc/68/98/50/809689850.db2.gz AELWKIHYNXTMHA-BZUAXINKSA-N 2 1 295.471 2.001 20 0 CEADMP CCN(CC[NH+]1CCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121240 815309479 /nfs/dbraw/zinc/30/94/79/815309479.db2.gz CXHXKNSDYBJDDL-FVQHAEBGSA-N 2 1 279.472 2.419 20 0 CEADMP Cc1cccc(CC[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206157441 815311282 /nfs/dbraw/zinc/31/12/82/815311282.db2.gz YQLJWWKSPFWJFA-CABCVRRESA-N 2 1 250.361 2.299 20 0 CEADMP Cc1cccc(CC[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206157441 815311288 /nfs/dbraw/zinc/31/12/88/815311288.db2.gz YQLJWWKSPFWJFA-CABCVRRESA-N 2 1 250.361 2.299 20 0 CEADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@]1(C)O ZINC001172121870 815311550 /nfs/dbraw/zinc/31/15/50/815311550.db2.gz UONMVSJKLLOUDN-UUAJXVIYSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@]1(C)O ZINC001172121870 815311556 /nfs/dbraw/zinc/31/15/56/815311556.db2.gz UONMVSJKLLOUDN-UUAJXVIYSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC[C@]1(C)O ZINC001172121870 815311560 /nfs/dbraw/zinc/31/15/60/815311560.db2.gz UONMVSJKLLOUDN-UUAJXVIYSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC[C@]1(C)O ZINC001172121870 815311565 /nfs/dbraw/zinc/31/15/65/815311565.db2.gz UONMVSJKLLOUDN-UUAJXVIYSA-N 2 1 280.456 2.485 20 0 CEADMP COC(=O)[C@H](C(C)C)N(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123453 815315723 /nfs/dbraw/zinc/31/57/23/815315723.db2.gz DFEHRIBJTLBMAV-XGUBFFRZSA-N 2 1 282.428 2.131 20 0 CEADMP COC(=O)[C@H](C(C)C)[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123453 815315728 /nfs/dbraw/zinc/31/57/28/815315728.db2.gz DFEHRIBJTLBMAV-XGUBFFRZSA-N 2 1 282.428 2.131 20 0 CEADMP COC(=O)[C@H](C(C)C)[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123453 815315733 /nfs/dbraw/zinc/31/57/33/815315733.db2.gz DFEHRIBJTLBMAV-XGUBFFRZSA-N 2 1 282.428 2.131 20 0 CEADMP COC(=O)[C@H](C(C)C)[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123453 815315738 /nfs/dbraw/zinc/31/57/38/815315738.db2.gz DFEHRIBJTLBMAV-XGUBFFRZSA-N 2 1 282.428 2.131 20 0 CEADMP COC(=O)[C@H](C(C)C)[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123453 815315743 /nfs/dbraw/zinc/31/57/43/815315743.db2.gz DFEHRIBJTLBMAV-XGUBFFRZSA-N 2 1 282.428 2.131 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CSc3ccccc3C2)C1 ZINC001172190027 815318878 /nfs/dbraw/zinc/31/88/78/815318878.db2.gz ICWCYHHZVLTTPV-OCCSQVGLSA-N 2 1 262.422 2.245 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)cs1 ZINC000706710048 809847022 /nfs/dbraw/zinc/84/70/22/809847022.db2.gz GUXZMHRONSNEAI-UHFFFAOYSA-N 2 1 262.806 2.069 20 0 CEADMP CC(C)[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000708901378 809938289 /nfs/dbraw/zinc/93/82/89/809938289.db2.gz WEZQPBJSTFFUOM-AWEZNQCLSA-N 2 1 280.437 2.251 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000708901378 809938294 /nfs/dbraw/zinc/93/82/94/809938294.db2.gz WEZQPBJSTFFUOM-AWEZNQCLSA-N 2 1 280.437 2.251 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C(F)(F)F ZINC000709798188 809970621 /nfs/dbraw/zinc/97/06/21/809970621.db2.gz FTYBXKYCUBEQSO-GHMZBOCLSA-N 2 1 250.308 2.246 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C(F)(F)F ZINC000709828270 809972063 /nfs/dbraw/zinc/97/20/63/809972063.db2.gz TUFXYTGIGUKQGR-OPRDCNLKSA-N 2 1 286.288 2.491 20 0 CEADMP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000710692169 809989159 /nfs/dbraw/zinc/98/91/59/809989159.db2.gz BRCXDTVFCYMWGG-HUUCEWRRSA-N 2 1 283.460 2.132 20 0 CEADMP CCc1nc(N(C)CCCCCC[NH3+])cc(C)[nH+]1 ZINC000710694326 809990548 /nfs/dbraw/zinc/99/05/48/809990548.db2.gz ODEPBTKGQNKSNU-UHFFFAOYSA-N 2 1 250.390 2.303 20 0 CEADMP CN(Cc1cccs1)C(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000710705356 809990827 /nfs/dbraw/zinc/99/08/27/809990827.db2.gz JGXGYHFNFWJGLD-UHFFFAOYSA-N 2 1 297.468 2.157 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCCCCC[NH3+])CC1 ZINC000710750915 809991869 /nfs/dbraw/zinc/99/18/69/809991869.db2.gz PJHCWUJRYMBEEM-UHFFFAOYSA-N 3 1 255.450 2.312 20 0 CEADMP CCCN1CCC([N@H+](C)CCCCCC[NH3+])CC1 ZINC000710750915 809991871 /nfs/dbraw/zinc/99/18/71/809991871.db2.gz PJHCWUJRYMBEEM-UHFFFAOYSA-N 2 1 255.450 2.312 20 0 CEADMP CCCN1CCC([N@@H+](C)CCCCCC[NH3+])CC1 ZINC000710750915 809991874 /nfs/dbraw/zinc/99/18/74/809991874.db2.gz PJHCWUJRYMBEEM-UHFFFAOYSA-N 2 1 255.450 2.312 20 0 CEADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccn1 ZINC000710874625 809997447 /nfs/dbraw/zinc/99/74/47/809997447.db2.gz HMRQBFJQECWTOG-UHFFFAOYSA-N 2 1 273.405 2.421 20 0 CEADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccn1 ZINC000710874625 809997455 /nfs/dbraw/zinc/99/74/55/809997455.db2.gz HMRQBFJQECWTOG-UHFFFAOYSA-N 2 1 273.405 2.421 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710934152 810005366 /nfs/dbraw/zinc/00/53/66/810005366.db2.gz AQIJZBURERTRHB-CYBMUJFWSA-N 2 1 299.459 2.173 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710934152 810005372 /nfs/dbraw/zinc/00/53/72/810005372.db2.gz AQIJZBURERTRHB-CYBMUJFWSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)CO1)[C@@H]1CCCC[NH2+]1 ZINC000711227966 810050609 /nfs/dbraw/zinc/05/06/09/810050609.db2.gz UDFHTIUPCGLTQT-MJBXVCDLSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000923371570 810089014 /nfs/dbraw/zinc/08/90/14/810089014.db2.gz YTERCDBTZCEBQO-TYNCELHUSA-N 2 1 250.361 2.344 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000923382947 810090272 /nfs/dbraw/zinc/09/02/72/810090272.db2.gz NZCHJQORVLBEJX-XGUBFFRZSA-N 2 1 256.434 2.089 20 0 CEADMP CCOC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506246 810104204 /nfs/dbraw/zinc/10/42/04/810104204.db2.gz GXFKGRWOIBJMOK-KGLIPLIRSA-N 2 1 282.428 2.040 20 0 CEADMP CC[N@@H+](C)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172233338 815345402 /nfs/dbraw/zinc/34/54/02/815345402.db2.gz UNBPSSCEVMNGAO-GOOCMWNKSA-N 2 1 252.402 2.113 20 0 CEADMP COCCC[NH+]1CCC([NH2+]C(C)(C)C2CC2)CC1 ZINC001172243585 815355994 /nfs/dbraw/zinc/35/59/94/815355994.db2.gz ORTSJTRSCACXHK-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206163879 815360154 /nfs/dbraw/zinc/36/01/54/815360154.db2.gz GZLJHPCFHSIWLS-ZIAGYGMSSA-N 2 1 265.376 2.014 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206163879 815360159 /nfs/dbraw/zinc/36/01/59/815360159.db2.gz GZLJHPCFHSIWLS-ZIAGYGMSSA-N 2 1 265.376 2.014 20 0 CEADMP COc1ccc2[nH]cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)c2c1 ZINC001206163927 815388678 /nfs/dbraw/zinc/38/86/78/815388678.db2.gz HXMKGAZQMOOKLU-LSDHHAIUSA-N 2 1 291.370 2.438 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1F ZINC001206163936 815390073 /nfs/dbraw/zinc/39/00/73/815390073.db2.gz HZOYNBCSTXLCPN-KBPBESRZSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1F ZINC001206163936 815390080 /nfs/dbraw/zinc/39/00/80/815390080.db2.gz HZOYNBCSTXLCPN-KBPBESRZSA-N 2 1 254.324 2.395 20 0 CEADMP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001085394429 810738140 /nfs/dbraw/zinc/73/81/40/810738140.db2.gz KVVYQGDWVSBVSR-ARFHVFGLSA-N 2 1 295.471 2.001 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C(C)C ZINC001085432208 810748255 /nfs/dbraw/zinc/74/82/55/810748255.db2.gz NOROODPOFKZPDP-OAGGEKHMSA-N 2 1 295.471 2.286 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)CC1 ZINC000716241101 810772109 /nfs/dbraw/zinc/77/21/09/810772109.db2.gz YFJXZSQYZSNLDE-MSOLQXFVSA-N 2 1 287.451 2.335 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CC=C(C)C ZINC001038319660 810821923 /nfs/dbraw/zinc/82/19/23/810821923.db2.gz BNJDXAATANRIEV-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC=C(C)C ZINC001038319660 810821940 /nfs/dbraw/zinc/82/19/40/810821940.db2.gz BNJDXAATANRIEV-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC=C(C)C ZINC001038319660 810821948 /nfs/dbraw/zinc/82/19/48/810821948.db2.gz BNJDXAATANRIEV-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC=C(C)C ZINC001038319660 810821955 /nfs/dbraw/zinc/82/19/55/810821955.db2.gz BNJDXAATANRIEV-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP COC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000721887618 810852377 /nfs/dbraw/zinc/85/23/77/810852377.db2.gz AKKRTNSTMHEGSG-KKUMJFAQSA-N 2 1 254.418 2.121 20 0 CEADMP COC(=O)c1c(C)cc(C)[nH+]c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001154986380 810883817 /nfs/dbraw/zinc/88/38/17/810883817.db2.gz SDEZGTWNQCXKBI-NEPJUHHUSA-N 2 1 277.368 2.167 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(C)C)C1 ZINC001086102081 811033474 /nfs/dbraw/zinc/03/34/74/811033474.db2.gz IGEQFVUYTVEKQE-XHSDSOJGSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)C[NH+](C)C ZINC000381901373 811099455 /nfs/dbraw/zinc/09/94/55/811099455.db2.gz WOYMLPDOVYUFPM-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)C[NH+](C)C ZINC000381901373 811099468 /nfs/dbraw/zinc/09/94/68/811099468.db2.gz WOYMLPDOVYUFPM-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C([NH2+][C@@H]1CC2CCC1CC2)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000382059670 811196567 /nfs/dbraw/zinc/19/65/67/811196567.db2.gz XRYVWAOAXDEQPC-MTERUZRBSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+][C@@H]1CC2CCC1CC2)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000382059670 811196575 /nfs/dbraw/zinc/19/65/75/811196575.db2.gz XRYVWAOAXDEQPC-MTERUZRBSA-N 2 1 264.413 2.018 20 0 CEADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H](C)CCOCC(C)C)C[C@@H]2C1 ZINC001172473238 815429348 /nfs/dbraw/zinc/42/93/48/815429348.db2.gz SGABVGWNTGRRHU-IXDOHACOSA-N 2 1 298.471 2.090 20 0 CEADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H](C)CCOCC(C)C)C[C@@H]2C1 ZINC001172473238 815429352 /nfs/dbraw/zinc/42/93/52/815429352.db2.gz SGABVGWNTGRRHU-IXDOHACOSA-N 2 1 298.471 2.090 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H](C)CCOCC(C)C)C[C@@H]2C1 ZINC001172473238 815429354 /nfs/dbraw/zinc/42/93/54/815429354.db2.gz SGABVGWNTGRRHU-IXDOHACOSA-N 2 1 298.471 2.090 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H](C)CCOCC(C)C)C[C@@H]2C1 ZINC001172473238 815429357 /nfs/dbraw/zinc/42/93/57/815429357.db2.gz SGABVGWNTGRRHU-IXDOHACOSA-N 2 1 298.471 2.090 20 0 CEADMP CC(C)COCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172479872 815432293 /nfs/dbraw/zinc/43/22/93/815432293.db2.gz DNPNWCXURHFSEA-ARFHVFGLSA-N 2 1 268.445 2.321 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205995341 811283805 /nfs/dbraw/zinc/28/38/05/811283805.db2.gz NSPFTOKQLQEIGH-UONOGXRCSA-N 2 1 264.417 2.271 20 0 CEADMP CCC[NH+](CCC)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169095363 811365870 /nfs/dbraw/zinc/36/58/70/811365870.db2.gz QBJIZAUORLZZNE-MUJYYYPQSA-N 2 1 267.461 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)C2 ZINC001169098193 811369897 /nfs/dbraw/zinc/36/98/97/811369897.db2.gz GQWXKTLDCUMHQE-FQUUOJAGSA-N 2 1 252.402 2.159 20 0 CEADMP CC(C)[NH+](CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001169096921 811371178 /nfs/dbraw/zinc/37/11/78/811371178.db2.gz ZWQLSFIEEDKOEZ-PHZGNYQRSA-N 2 1 267.461 2.320 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CCC3(CC1)OCCO3)C2 ZINC001169099705 811371651 /nfs/dbraw/zinc/37/16/51/811371651.db2.gz FAGWROUSAPCYHH-PHZGNYQRSA-N 2 1 294.439 2.135 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(CC[NH3+])c3ncccc31)C2 ZINC001169099683 811372812 /nfs/dbraw/zinc/37/28/12/811372812.db2.gz DUVDPOBIRLJYOV-QDMKHBRRSA-N 2 1 284.407 2.335 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)nc1)C2 ZINC001169081790 811379689 /nfs/dbraw/zinc/37/96/89/811379689.db2.gz WTCKCYMHBREBDZ-CLLJXQQHSA-N 2 1 265.788 2.450 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)nc1)C2 ZINC001169081790 811379699 /nfs/dbraw/zinc/37/96/99/811379699.db2.gz WTCKCYMHBREBDZ-CLLJXQQHSA-N 2 1 265.788 2.450 20 0 CEADMP CC(C)C[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169107472 811402057 /nfs/dbraw/zinc/40/20/57/811402057.db2.gz HQXVDIMMHOJFBQ-BJWYYQGGSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])c1cccnc1Cl)C2 ZINC001169108621 811403319 /nfs/dbraw/zinc/40/33/19/811403319.db2.gz UDYYXSQGAPJZLK-JGPRNRPPSA-N 2 1 278.787 2.275 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169109541 811403777 /nfs/dbraw/zinc/40/37/77/811403777.db2.gz DBQGMQUODNWIKT-DGADGQDISA-N 2 1 294.439 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@H]([NH+]3CCCCC3)C1)C2 ZINC001169140948 811405397 /nfs/dbraw/zinc/40/53/97/811405397.db2.gz MWMBFHMNKNKYSP-YVSFHVDLSA-N 2 1 277.456 2.172 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCC(CCO)CC1)C2 ZINC001169112904 811406442 /nfs/dbraw/zinc/40/64/42/811406442.db2.gz UXZGDUDMYFLNDS-WQZDSJPGSA-N 2 1 266.429 2.142 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C1)CCOCC3)C2 ZINC001169141350 811409594 /nfs/dbraw/zinc/40/95/94/811409594.db2.gz PZCCROWLCMHBQZ-FICVDOATSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC3(C1)CCOCC3)C2 ZINC001169141350 811409602 /nfs/dbraw/zinc/40/96/02/811409602.db2.gz PZCCROWLCMHBQZ-FICVDOATSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC3(C1)CCOCC3)C2 ZINC001169141350 811409606 /nfs/dbraw/zinc/40/96/06/811409606.db2.gz PZCCROWLCMHBQZ-FICVDOATSA-N 2 1 264.413 2.114 20 0 CEADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1C[NH+](CCC(C)(C)C)C1 ZINC001043863172 811413544 /nfs/dbraw/zinc/41/35/44/811413544.db2.gz ACVJRPJCKGXFSU-CQSZACIVSA-N 2 1 295.471 2.050 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169153727 811414460 /nfs/dbraw/zinc/41/44/60/811414460.db2.gz LKXCMYSJRPSQID-IVSAIRAKSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169153727 811414463 /nfs/dbraw/zinc/41/44/63/811414463.db2.gz LKXCMYSJRPSQID-IVSAIRAKSA-N 2 1 294.439 2.277 20 0 CEADMP CC(C)[N@@H+](C1CCN(C)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169154772 811414910 /nfs/dbraw/zinc/41/49/10/811414910.db2.gz UYHMRVACAUYFPW-BJWYYQGGSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[N@H+](C1CCN(C)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169154772 811414914 /nfs/dbraw/zinc/41/49/14/811414914.db2.gz UYHMRVACAUYFPW-BJWYYQGGSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[N@@H+](C1CCN(C)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169154772 811414923 /nfs/dbraw/zinc/41/49/23/811414923.db2.gz UYHMRVACAUYFPW-BJWYYQGGSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[NH+](C1CCN(C)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169154772 811414931 /nfs/dbraw/zinc/41/49/31/811414931.db2.gz UYHMRVACAUYFPW-BJWYYQGGSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[NH+](C1CCN(C)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169154772 811414935 /nfs/dbraw/zinc/41/49/35/811414935.db2.gz UYHMRVACAUYFPW-BJWYYQGGSA-N 2 1 279.472 2.416 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c(F)ccc(N)c2F)CCC[C@@H]1C[NH3+] ZINC001206004165 811424314 /nfs/dbraw/zinc/42/43/14/811424314.db2.gz QULIWRGSRSYKLW-WDEREUQCSA-N 2 1 283.366 2.354 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccccn3)C2)CC1 ZINC001169238437 811457234 /nfs/dbraw/zinc/45/72/34/811457234.db2.gz IIDJTZPPMNEWEN-INIZCTEOSA-N 2 1 288.439 2.124 20 0 CEADMP CCN1CCC([N@@H+]2CCc3cc(CO)ccc3C2)CC1 ZINC001169246028 811460616 /nfs/dbraw/zinc/46/06/16/811460616.db2.gz MHHAIXLFFGTZQA-UHFFFAOYSA-N 2 1 274.408 2.021 20 0 CEADMP CCN1CCC([N@H+]2CCc3cc(CO)ccc3C2)CC1 ZINC001169246028 811460621 /nfs/dbraw/zinc/46/06/21/811460621.db2.gz MHHAIXLFFGTZQA-UHFFFAOYSA-N 2 1 274.408 2.021 20 0 CEADMP CCCOC1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC001169258334 811468859 /nfs/dbraw/zinc/46/88/59/811468859.db2.gz JLXBSVPSFXOWPG-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3ncc(Cl)cc23)CC[C@@H]1F ZINC001206165210 815449700 /nfs/dbraw/zinc/44/97/00/815449700.db2.gz MLPKTHKHYUIIDG-QWHCGFSZSA-N 2 1 296.777 2.478 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)CC[C@@H]1F ZINC001206165210 815449703 /nfs/dbraw/zinc/44/97/03/815449703.db2.gz MLPKTHKHYUIIDG-QWHCGFSZSA-N 2 1 296.777 2.478 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)nc2)CCC[C@@H]1C[NH3+] ZINC001206014970 811607628 /nfs/dbraw/zinc/60/76/28/811607628.db2.gz YSUXMZFUIKWDMR-WCQYABFASA-N 2 1 299.365 2.490 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001172751771 815503454 /nfs/dbraw/zinc/50/34/54/815503454.db2.gz YQHKPQVWXFWZKB-GFCCVEGCSA-N 2 1 267.373 2.067 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001112966028 812127669 /nfs/dbraw/zinc/12/76/69/812127669.db2.gz SCFUQRCNOAQWSS-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)CCC(=O)OC(C)C)CC1 ZINC001172755255 815506252 /nfs/dbraw/zinc/50/62/52/815506252.db2.gz GMXDAIJYNRUJTI-ZDUSSCGKSA-N 2 1 270.417 2.181 20 0 CEADMP CC[C@@H]1C[C@H]([NH+]2CCC([N@@H+](C)CC)CC2)CCO1 ZINC001170241702 812353395 /nfs/dbraw/zinc/35/33/95/812353395.db2.gz XJJVSEHVZIIRCU-HUUCEWRRSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCOC1)c1ccccc1 ZINC001254367878 812367076 /nfs/dbraw/zinc/36/70/76/812367076.db2.gz NZJHXJMQIIZZDJ-HZPDHXFCSA-N 2 1 262.397 2.448 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H](n2cc[nH+]c2CCC[NH3+])CC1 ZINC001172786149 815521874 /nfs/dbraw/zinc/52/18/74/815521874.db2.gz QOOCBFBKGVVRIG-OLZOCXBDSA-N 2 1 279.384 2.069 20 0 CEADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001170410715 812408392 /nfs/dbraw/zinc/40/83/92/812408392.db2.gz GKBWFTHUGMUEPX-LSDHHAIUSA-N 2 1 290.407 2.278 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001052869772 812468282 /nfs/dbraw/zinc/46/82/82/812468282.db2.gz LWSDSZCOJWOZJS-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001052869772 812468288 /nfs/dbraw/zinc/46/82/88/812468288.db2.gz LWSDSZCOJWOZJS-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052869772 812468296 /nfs/dbraw/zinc/46/82/96/812468296.db2.gz LWSDSZCOJWOZJS-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129428886 812492367 /nfs/dbraw/zinc/49/23/67/812492367.db2.gz ANORUXTZEXBDOV-CQSZACIVSA-N 2 1 292.427 2.047 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC001172806183 815532849 /nfs/dbraw/zinc/53/28/49/815532849.db2.gz GHZLPITUFJIVCJ-INMHGKMJSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC001172806183 815532852 /nfs/dbraw/zinc/53/28/52/815532852.db2.gz GHZLPITUFJIVCJ-INMHGKMJSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001172806183 815532856 /nfs/dbraw/zinc/53/28/56/815532856.db2.gz GHZLPITUFJIVCJ-INMHGKMJSA-N 2 1 294.439 2.136 20 0 CEADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(=O)[nH]c2)CC1 ZINC001139470082 812651556 /nfs/dbraw/zinc/65/15/56/812651556.db2.gz MRFZPQPUFJGPBX-UHFFFAOYSA-N 2 1 277.412 2.484 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)C1 ZINC001172932167 815550887 /nfs/dbraw/zinc/55/08/87/815550887.db2.gz BECQUCODUUWQMK-HZPDHXFCSA-N 2 1 278.440 2.362 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001172932167 815550892 /nfs/dbraw/zinc/55/08/92/815550892.db2.gz BECQUCODUUWQMK-HZPDHXFCSA-N 2 1 278.440 2.362 20 0 CEADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCC[C@@H](OC)C2)CC1 ZINC001172940285 815554471 /nfs/dbraw/zinc/55/44/71/815554471.db2.gz WZZIJIWUQUUVMZ-LSDHHAIUSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCC[C@@H](OC)C2)CC1 ZINC001172940285 815554473 /nfs/dbraw/zinc/55/44/73/815554473.db2.gz WZZIJIWUQUUVMZ-LSDHHAIUSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132518778 812872197 /nfs/dbraw/zinc/87/21/97/812872197.db2.gz NXTOXSFOUFSIIM-HZPDHXFCSA-N 2 1 295.471 2.262 20 0 CEADMP CC(C)=CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132518778 812872205 /nfs/dbraw/zinc/87/22/05/812872205.db2.gz NXTOXSFOUFSIIM-HZPDHXFCSA-N 2 1 295.471 2.262 20 0 CEADMP CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548836 812886938 /nfs/dbraw/zinc/88/69/38/812886938.db2.gz KENPDKJMOIATIP-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052444899 812993275 /nfs/dbraw/zinc/99/32/75/812993275.db2.gz JCSBXYFRSLARAS-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052444899 812993283 /nfs/dbraw/zinc/99/32/83/812993283.db2.gz JCSBXYFRSLARAS-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052444899 812993290 /nfs/dbraw/zinc/99/32/90/812993290.db2.gz JCSBXYFRSLARAS-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001276380127 813103664 /nfs/dbraw/zinc/10/36/64/813103664.db2.gz YSSCORWOGAFBGA-HNNXBMFYSA-N 2 1 297.487 2.203 20 0 CEADMP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612176 813295266 /nfs/dbraw/zinc/29/52/66/813295266.db2.gz IVDGZFNMJGHJSC-UONOGXRCSA-N 2 1 283.460 2.144 20 0 CEADMP CC[NH+](CC)[C@@H](CNC1=[NH+]CCCN1C)c1ccccc1 ZINC000395093379 813481309 /nfs/dbraw/zinc/48/13/09/813481309.db2.gz AXJYWMQEBUJUMA-INIZCTEOSA-N 2 1 288.439 2.351 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC)C2)C1 ZINC001086783648 813529561 /nfs/dbraw/zinc/52/95/61/813529561.db2.gz JPDOLMRBHNUTQA-HRCADAONSA-N 2 1 295.471 2.003 20 0 CEADMP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860751 813548591 /nfs/dbraw/zinc/54/85/91/813548591.db2.gz HFALZDZVFLPHIM-KGLIPLIRSA-N 2 1 271.449 2.001 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000396555850 813573067 /nfs/dbraw/zinc/57/30/67/813573067.db2.gz GKOORZWFJMMXRD-CGTJXYLNSA-N 2 1 287.451 2.381 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC=C(C)C ZINC001135979546 813578235 /nfs/dbraw/zinc/57/82/35/813578235.db2.gz HGAGEDJQTWCZEU-GJZGRUSLSA-N 2 1 283.460 2.167 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CC1 ZINC001135995652 813583565 /nfs/dbraw/zinc/58/35/65/813583565.db2.gz JCSLYRXGTOXBEO-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@@H]([NH3+])CCNc1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001170895846 813622014 /nfs/dbraw/zinc/62/20/14/813622014.db2.gz ZTJIDNTWJNTOEZ-SECBINFHSA-N 2 1 257.328 2.176 20 0 CEADMP [NH3+]CCC[C@H]([NH3+])Nc1ccnc2ccc(C(F)(F)F)cc21 ZINC001170899742 813626683 /nfs/dbraw/zinc/62/66/83/813626683.db2.gz DWUVRYIBCJIDSK-CYBMUJFWSA-N 2 1 298.312 2.111 20 0 CEADMP C[C@@H]1CC[C@H](CN[C@H]2CCC[N@H+](C3CCCC3)C2)C[NH2+]1 ZINC001246091126 813679926 /nfs/dbraw/zinc/67/99/26/813679926.db2.gz GNXFFVBXFROWIG-PMPSAXMXSA-N 2 1 279.472 2.371 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246093821 813682896 /nfs/dbraw/zinc/68/28/96/813682896.db2.gz XGPZIFOGYOLFFA-DGAVXFQQSA-N 3 1 253.434 2.013 20 0 CEADMP Clc1cccc2c1C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC001246186876 813725289 /nfs/dbraw/zinc/72/52/89/813725289.db2.gz IKFPKRXYFVJITI-NEPJUHHUSA-N 2 1 250.773 2.149 20 0 CEADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCOC(C)(C)C2)CC1 ZINC001255549943 813736635 /nfs/dbraw/zinc/73/66/35/813736635.db2.gz PPBPBJKJNLEMFU-CQSZACIVSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCOC(C)(C)C2)CC1 ZINC001255549943 813736639 /nfs/dbraw/zinc/73/66/39/813736639.db2.gz PPBPBJKJNLEMFU-CQSZACIVSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]CCc2ccc(F)cc2F)C[NH2+]1 ZINC001246323019 813776735 /nfs/dbraw/zinc/77/67/35/813776735.db2.gz IRERFQSEZWMSON-GWCFXTLKSA-N 2 1 254.324 2.237 20 0 CEADMP CCC[C@@]1(C[NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1 ZINC001246458287 813836127 /nfs/dbraw/zinc/83/61/27/813836127.db2.gz XWWRGPMVGSIWSO-XHSDSOJGSA-N 2 1 265.445 2.031 20 0 CEADMP CC[NH+](CC)CCN(C)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255673957 813923639 /nfs/dbraw/zinc/92/36/39/813923639.db2.gz JAXPPFBJBXZIRD-XYPWUTKMSA-N 2 1 267.461 2.275 20 0 CEADMP CC[C@@H]1COCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255681219 813924948 /nfs/dbraw/zinc/92/49/48/813924948.db2.gz PMWZYFKNQLRINF-JKXDFHQYSA-N 2 1 252.402 2.113 20 0 CEADMP CC[C@@H]1COCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255681219 813924951 /nfs/dbraw/zinc/92/49/51/813924951.db2.gz PMWZYFKNQLRINF-JKXDFHQYSA-N 2 1 252.402 2.113 20 0 CEADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1cnc[nH]1 ZINC001171153032 814003151 /nfs/dbraw/zinc/00/31/51/814003151.db2.gz VQSUFRXCLMNDJA-CQSZACIVSA-N 2 1 294.443 2.407 20 0 CEADMP [NH3+]C[C@]1(F)CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC001246551158 814011274 /nfs/dbraw/zinc/01/12/74/814011274.db2.gz PFJCPUIVXCAMPV-INIZCTEOSA-N 2 1 262.372 2.307 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246554031 814019242 /nfs/dbraw/zinc/01/92/42/814019242.db2.gz USYMCKXDYXVYGN-YMAMQOFZSA-N 3 1 253.434 2.063 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246556425 814031323 /nfs/dbraw/zinc/03/13/23/814031323.db2.gz ZSHPWXMGGGLMCY-IIAWOOMASA-N 2 1 282.428 2.312 20 0 CEADMP CO[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC001246563177 814051018 /nfs/dbraw/zinc/05/10/18/814051018.db2.gz PBRRAIJHKBQESF-ZQDZILKHSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)CC[NH2+]1 ZINC001246564422 814052467 /nfs/dbraw/zinc/05/24/67/814052467.db2.gz NTMXWLXCPOQKBV-UMSGYPCISA-N 2 1 294.361 2.152 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(COC2)CC1 ZINC001255955037 814060735 /nfs/dbraw/zinc/06/07/35/814060735.db2.gz MQIHXNVESMBAPK-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]1C[N@H+](C2C[C@@H]3CC(=O)C[C@H]3C2)CCC[C@@H]1C[NH3+] ZINC001246570819 814089859 /nfs/dbraw/zinc/08/98/59/814089859.db2.gz WAKOBDIAIFEXBF-AAVRWANBSA-N 2 1 264.413 2.051 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnc(N(C)C)c2)[C@@H](C)C1 ZINC000754063847 814113577 /nfs/dbraw/zinc/11/35/77/814113577.db2.gz CPTWUZTZJIMCTP-GOEBONIOSA-N 2 1 290.455 2.310 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnc(N(C)C)c2)[C@@H](C)C1 ZINC000754063847 814113581 /nfs/dbraw/zinc/11/35/81/814113581.db2.gz CPTWUZTZJIMCTP-GOEBONIOSA-N 2 1 290.455 2.310 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnc(N(C)C)c2)[C@@H](C)C1 ZINC000754063847 814113590 /nfs/dbraw/zinc/11/35/90/814113590.db2.gz CPTWUZTZJIMCTP-GOEBONIOSA-N 2 1 290.455 2.310 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnc(N(C)C)c2)[C@@H](C)C1 ZINC000754063847 814113597 /nfs/dbraw/zinc/11/35/97/814113597.db2.gz CPTWUZTZJIMCTP-GOEBONIOSA-N 2 1 290.455 2.310 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246579208 814134195 /nfs/dbraw/zinc/13/41/95/814134195.db2.gz BTNYBJPUVOZEPW-ZIAGYGMSSA-N 2 1 270.417 2.168 20 0 CEADMP COC(=O)CCCC[C@@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246583790 814166785 /nfs/dbraw/zinc/16/67/85/814166785.db2.gz RZOOMWHECXIEMM-KGLIPLIRSA-N 2 1 270.417 2.169 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)C1 ZINC001246585594 814168395 /nfs/dbraw/zinc/16/83/95/814168395.db2.gz YEWPWDNDSBLNSH-QLFBSQMISA-N 2 1 282.428 2.169 20 0 CEADMP [NH3+]C[C@@H]1CCCC[N@H+](C2CCN(CC(F)(F)F)CC2)C1 ZINC001246585521 814168652 /nfs/dbraw/zinc/16/86/52/814168652.db2.gz XTENFBLBEVESAB-LBPRGKRZSA-N 2 1 293.377 2.074 20 0 CEADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CCC2CCCC2)C1 ZINC001171226612 814191577 /nfs/dbraw/zinc/19/15/77/814191577.db2.gz IAPLBMSUMLZWDO-MRXNPFEDSA-N 2 1 295.471 2.004 20 0 CEADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CCCC(C)(C)C)C1 ZINC001171226104 814192389 /nfs/dbraw/zinc/19/23/89/814192389.db2.gz CDZHXUPIOAASLP-OAHLLOKOSA-N 2 1 297.487 2.250 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CC2CCC2)C1 ZINC001100898492 814202364 /nfs/dbraw/zinc/20/23/64/814202364.db2.gz IPOSKUQWNQAZBS-UHFFFAOYSA-N 2 1 295.471 2.003 20 0 CEADMP CCCCC[C@@H](CC)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246618880 814217386 /nfs/dbraw/zinc/21/73/86/814217386.db2.gz NYPINZPIJGAWGQ-PMPSAXMXSA-N 2 1 267.461 2.371 20 0 CEADMP CCCCC[C@@H](CC)[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246872088 814323041 /nfs/dbraw/zinc/32/30/41/814323041.db2.gz PFJUPOAOTZBIND-CVEARBPZSA-N 2 1 267.461 2.453 20 0 CEADMP C1CC1N[C@H]1CCC[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246922596 814415895 /nfs/dbraw/zinc/41/58/95/814415895.db2.gz UZQDDEZNCKZFQB-HOTGVXAUSA-N 2 1 277.456 2.125 20 0 CEADMP C1CC1N[C@H]1CCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246922596 814415900 /nfs/dbraw/zinc/41/59/00/814415900.db2.gz UZQDDEZNCKZFQB-HOTGVXAUSA-N 2 1 277.456 2.125 20 0 CEADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1=CCCCC1 ZINC001161043028 814461951 /nfs/dbraw/zinc/46/19/51/814461951.db2.gz WPPNVGGNKVZBPZ-MRXNPFEDSA-N 2 1 293.455 2.067 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC001148656235 814595453 /nfs/dbraw/zinc/59/54/53/814595453.db2.gz XUPGYHWSHUPJQF-HOTGVXAUSA-N 2 1 297.487 2.250 20 0 CEADMP Cc1cc(C)cc(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)c1 ZINC001247506572 814686200 /nfs/dbraw/zinc/68/62/00/814686200.db2.gz CYBINIGLNGGSKH-LBPRGKRZSA-N 2 1 260.341 2.092 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](O)C[C@H]2C)CC1 ZINC001173115224 815583547 /nfs/dbraw/zinc/58/35/47/815583547.db2.gz ZPXGTXBOPOVZII-LMPOIIKSSA-N 2 1 268.445 2.485 20 0 CEADMP [NH3+]CC[N@H+](CCO)C1CCC2(CCCCC2)CC1 ZINC001173114901 815584068 /nfs/dbraw/zinc/58/40/68/815584068.db2.gz LFIZCNXEOGRRJV-UHFFFAOYSA-N 2 1 254.418 2.133 20 0 CEADMP [NH3+]CC[N@@H+](CCO)C1CCC2(CCCCC2)CC1 ZINC001173114901 815584069 /nfs/dbraw/zinc/58/40/69/815584069.db2.gz LFIZCNXEOGRRJV-UHFFFAOYSA-N 2 1 254.418 2.133 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCc3nn(C)cc3C2)CC1 ZINC001173113479 815584403 /nfs/dbraw/zinc/58/44/03/815584403.db2.gz QHSZNLARSSAGLS-UHFFFAOYSA-N 2 1 290.455 2.431 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](C)CCC(=O)OC)CC1 ZINC001173113315 815584766 /nfs/dbraw/zinc/58/47/66/815584766.db2.gz NAXRHIQPFONQBV-UHFFFAOYSA-N 2 1 270.417 2.134 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCc2ncsc2C1 ZINC001173124558 815587957 /nfs/dbraw/zinc/58/79/57/815587957.db2.gz QWXVUTHWWOBLED-NWDGAFQWSA-N 2 1 265.426 2.074 20 0 CEADMP CC1(C)CC[C@H](C[N@@H+]2CC[NH2+]CCC23CCC3)OC1 ZINC000713243191 814847341 /nfs/dbraw/zinc/84/73/41/814847341.db2.gz QLJGESAWCDEGFK-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CC[NH2+]CCC23CCC3)OC1 ZINC000713243191 814847345 /nfs/dbraw/zinc/84/73/45/814847345.db2.gz QLJGESAWCDEGFK-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+](Cc2scnc2Cl)CC1 ZINC000713483322 814858760 /nfs/dbraw/zinc/85/87/60/814858760.db2.gz BYCPJEUORCQZOJ-MRVPVSSYSA-N 2 1 259.806 2.356 20 0 CEADMP CC1(C)CC[C@@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)OC1 ZINC000713626155 814869948 /nfs/dbraw/zinc/86/99/48/814869948.db2.gz XNEKLOYPDWEION-AWEZNQCLSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@H]1C[C@@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CCO1 ZINC001173171515 815622666 /nfs/dbraw/zinc/62/26/66/815622666.db2.gz ZKZKWINVZCDXSC-KKUMJFAQSA-N 2 1 254.418 2.395 20 0 CEADMP CCSC[C@H](C)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001173304024 815659129 /nfs/dbraw/zinc/65/91/29/815659129.db2.gz MTAAVIJGNDSYNC-LBPRGKRZSA-N 2 1 285.457 2.258 20 0 CEADMP CC[N@H+]1CC[C@H](N2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001173353662 815694654 /nfs/dbraw/zinc/69/46/54/815694654.db2.gz GIJUBBMMBYSDMB-INIZCTEOSA-N 2 1 291.414 2.170 20 0 CEADMP CC[N@@H+]1CC[C@@H](N2CCC(C3CC[NH+](C)CC3)CC2)C1 ZINC001173365365 815703616 /nfs/dbraw/zinc/70/36/16/815703616.db2.gz GORAISOVPFPTPN-QGZVFWFLSA-N 2 1 279.472 2.134 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CCC(C3CC[NH+](C)CC3)CC2)C1 ZINC001173365365 815703620 /nfs/dbraw/zinc/70/36/20/815703620.db2.gz GORAISOVPFPTPN-QGZVFWFLSA-N 2 1 279.472 2.134 20 0 CEADMP CC[N@H+]1CC[C@H](N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001173365804 815705030 /nfs/dbraw/zinc/70/50/30/815705030.db2.gz OTPQUCVIEQHOIC-OTWHNJEPSA-N 2 1 299.462 2.144 20 0 CEADMP CC[NH+]1CC[C@H](N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001173365804 815705034 /nfs/dbraw/zinc/70/50/34/815705034.db2.gz OTPQUCVIEQHOIC-OTWHNJEPSA-N 2 1 299.462 2.144 20 0 CEADMP CC[NH+]1CC[C@H](N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001173365804 815705037 /nfs/dbraw/zinc/70/50/37/815705037.db2.gz OTPQUCVIEQHOIC-OTWHNJEPSA-N 2 1 299.462 2.144 20 0 CEADMP CCN1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173365804 815705041 /nfs/dbraw/zinc/70/50/41/815705041.db2.gz OTPQUCVIEQHOIC-OTWHNJEPSA-N 2 1 299.462 2.144 20 0 CEADMP CCN1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173365804 815705045 /nfs/dbraw/zinc/70/50/45/815705045.db2.gz OTPQUCVIEQHOIC-OTWHNJEPSA-N 2 1 299.462 2.144 20 0 CEADMP CCN1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173365804 815705049 /nfs/dbraw/zinc/70/50/49/815705049.db2.gz OTPQUCVIEQHOIC-OTWHNJEPSA-N 2 1 299.462 2.144 20 0 CEADMP CCN1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173365804 815705053 /nfs/dbraw/zinc/70/50/53/815705053.db2.gz OTPQUCVIEQHOIC-OTWHNJEPSA-N 2 1 299.462 2.144 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001173368664 815705959 /nfs/dbraw/zinc/70/59/59/815705959.db2.gz QJPUATRXKPYJKL-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001173437286 815714593 /nfs/dbraw/zinc/71/45/93/815714593.db2.gz KYPUDTOWXCWASB-GJZGRUSLSA-N 2 1 284.444 2.430 20 0 CEADMP [NH3+]CCCc1[nH+]ccn1C1Cc2cc(F)c(F)cc2C1 ZINC001173479788 815726443 /nfs/dbraw/zinc/72/64/43/815726443.db2.gz MWDITHFDDGOCNM-UHFFFAOYSA-N 2 1 277.318 2.393 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001173462526 815740769 /nfs/dbraw/zinc/74/07/69/815740769.db2.gz VZOFWLGHYNYFQL-HOCLYGCPSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001173462526 815740775 /nfs/dbraw/zinc/74/07/75/815740775.db2.gz VZOFWLGHYNYFQL-HOCLYGCPSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001173462526 815740781 /nfs/dbraw/zinc/74/07/81/815740781.db2.gz VZOFWLGHYNYFQL-HOCLYGCPSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001173625533 815767945 /nfs/dbraw/zinc/76/79/45/815767945.db2.gz DKIMFVXGGCXDFQ-ZNMIVQPWSA-N 2 1 282.428 2.040 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173658122 815777390 /nfs/dbraw/zinc/77/73/90/815777390.db2.gz SUMUVRWFHGIZBB-LBPRGKRZSA-N 2 1 293.377 2.087 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)cc1 ZINC001138543772 815822205 /nfs/dbraw/zinc/82/22/05/815822205.db2.gz ULRHXZBCHNAZQN-HZPDHXFCSA-N 2 1 289.354 2.085 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)cc1 ZINC001138543772 815822211 /nfs/dbraw/zinc/82/22/11/815822211.db2.gz ULRHXZBCHNAZQN-HZPDHXFCSA-N 2 1 289.354 2.085 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC001139052356 815950846 /nfs/dbraw/zinc/95/08/46/815950846.db2.gz BLTFRTUPPMDTOL-UHFFFAOYSA-N 2 1 262.397 2.359 20 0 CEADMP C[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)C1 ZINC001139320307 816002996 /nfs/dbraw/zinc/00/29/96/816002996.db2.gz RKKSRXDHOBQGMV-ZDUSSCGKSA-N 2 1 294.468 2.127 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)C1 ZINC001139320307 816003002 /nfs/dbraw/zinc/00/30/02/816003002.db2.gz RKKSRXDHOBQGMV-ZDUSSCGKSA-N 2 1 294.468 2.127 20 0 CEADMP Cn1ncc2cc(C[N@@H+](C)CC3CC[NH+](C)CC3)ccc21 ZINC001139952073 816148918 /nfs/dbraw/zinc/14/89/18/816148918.db2.gz UMKAKVIYNQLCHL-UHFFFAOYSA-N 2 1 286.423 2.347 20 0 CEADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175265498 816166330 /nfs/dbraw/zinc/16/63/30/816166330.db2.gz YSEHRLQBHDWFSN-HZPDHXFCSA-N 2 1 297.487 2.249 20 0 CEADMP Cc1nccn1-c1ccccc1C[N@H+]1CCC2(COC2)C1 ZINC001140020725 816168524 /nfs/dbraw/zinc/16/85/24/816168524.db2.gz AVMWOYWNOCJQTC-UHFFFAOYSA-N 2 1 283.375 2.403 20 0 CEADMP C[N@@H+]1CCC=C(Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001175576232 816242032 /nfs/dbraw/zinc/24/20/32/816242032.db2.gz GZZJCZZVPLOXDX-UHFFFAOYSA-N 2 1 287.407 2.150 20 0 CEADMP C[N@H+]1CCC=C(Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001175576232 816242037 /nfs/dbraw/zinc/24/20/37/816242037.db2.gz GZZJCZZVPLOXDX-UHFFFAOYSA-N 2 1 287.407 2.150 20 0 CEADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176166682 816358906 /nfs/dbraw/zinc/35/89/06/816358906.db2.gz VDCJYFBOHMBKKA-LSDHHAIUSA-N 2 1 283.460 2.001 20 0 CEADMP O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801661 816359731 /nfs/dbraw/zinc/35/97/31/816359731.db2.gz VQJJRCWRMVENTE-TXEJJXNPSA-N 2 1 255.321 2.259 20 0 CEADMP O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801661 816359739 /nfs/dbraw/zinc/35/97/39/816359739.db2.gz VQJJRCWRMVENTE-TXEJJXNPSA-N 2 1 255.321 2.259 20 0 CEADMP O=C1CCCC2(CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)N1 ZINC001140802662 816362103 /nfs/dbraw/zinc/36/21/03/816362103.db2.gz AHRVSTIMMIOQNS-UHFFFAOYSA-N 2 1 298.390 2.198 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CC2(C1)CCOCC2 ZINC001140803412 816363878 /nfs/dbraw/zinc/36/38/78/816363878.db2.gz PJZRKUXHSAVACX-UHFFFAOYSA-N 2 1 257.337 2.175 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176165413 816366918 /nfs/dbraw/zinc/36/69/18/816366918.db2.gz KTSZKEJULBFTBS-GJZGRUSLSA-N 2 1 283.460 2.003 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1CN1CC([NH+]2CCCCC2)C1 ZINC001140805098 816368332 /nfs/dbraw/zinc/36/83/32/816368332.db2.gz RJQYEECGOMYORC-UHFFFAOYSA-N 2 1 270.380 2.233 20 0 CEADMP Cc1c[nH]c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C ZINC001140856539 816382679 /nfs/dbraw/zinc/38/26/79/816382679.db2.gz LOJUJRXLZXEOTK-UHFFFAOYSA-N 2 1 270.380 2.349 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CC1 ZINC001176268310 816385361 /nfs/dbraw/zinc/38/53/61/816385361.db2.gz IUJKDHWELDMPSA-OAHLLOKOSA-N 2 1 297.487 2.393 20 0 CEADMP CCCCc1nc(CN2CCC[C@@H]3C[N@@H+](C)C[C@H]32)c[nH]1 ZINC001141072670 816468903 /nfs/dbraw/zinc/46/89/03/816468903.db2.gz WOWSWXILYWZVHA-UKRRQHHQSA-N 2 1 276.428 2.278 20 0 CEADMP CCCCc1ncc(CN2CCC[C@@H]3C[N@H+](C)C[C@H]32)[nH]1 ZINC001141072670 816468909 /nfs/dbraw/zinc/46/89/09/816468909.db2.gz WOWSWXILYWZVHA-UKRRQHHQSA-N 2 1 276.428 2.278 20 0 CEADMP CCCCc1ncc(CN2CCC[C@@H]3C[N@@H+](C)C[C@H]32)[nH]1 ZINC001141072670 816468915 /nfs/dbraw/zinc/46/89/15/816468915.db2.gz WOWSWXILYWZVHA-UKRRQHHQSA-N 2 1 276.428 2.278 20 0 CEADMP CC[C@H](CCC(=O)OC)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206293258 816520636 /nfs/dbraw/zinc/52/06/36/816520636.db2.gz GWTIKPQDEOAGGM-ZBFHGGJFSA-N 2 1 284.444 2.417 20 0 CEADMP Cc1ccc(N2CCC(OCCC[NH+](C)C)CC2)[nH+]c1 ZINC001206297280 816535963 /nfs/dbraw/zinc/53/59/63/816535963.db2.gz UECUPNZPHPTSHP-UHFFFAOYSA-N 2 1 277.412 2.327 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001178045217 816663222 /nfs/dbraw/zinc/66/32/22/816663222.db2.gz GPZZQBSOONXWBV-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001206318234 816687311 /nfs/dbraw/zinc/68/73/11/816687311.db2.gz OCXXVDSIVUQMIL-OAHLLOKOSA-N 2 1 263.385 2.047 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4nccn4c3)C2)CC1 ZINC001143027601 816775679 /nfs/dbraw/zinc/77/56/79/816775679.db2.gz POFZSKZSPIEZDX-UHFFFAOYSA-N 2 1 284.407 2.252 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC1CCCC1 ZINC001161226323 816814414 /nfs/dbraw/zinc/81/44/14/816814414.db2.gz CPCOOMLPJCMRSY-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)Cc2ccoc2)CC1 ZINC000449076847 282090913 /nfs/dbraw/zinc/09/09/13/282090913.db2.gz ILNKONQWXZMSOU-INIZCTEOSA-N 2 1 293.455 2.218 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000336484815 365583284 /nfs/dbraw/zinc/58/32/84/365583284.db2.gz VZDLXMCNVYOEAK-DZGCQCFKSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000567638832 299069776 /nfs/dbraw/zinc/06/97/76/299069776.db2.gz JWAYDFLLGYYOJY-CQSZACIVSA-N 2 1 251.349 2.261 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000336551575 365634753 /nfs/dbraw/zinc/63/47/53/365634753.db2.gz XBZSHEFHYJOSQV-HNNXBMFYSA-N 2 1 277.412 2.455 20 0 CEADMP Cc1ncc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000336555080 365639996 /nfs/dbraw/zinc/63/99/96/365639996.db2.gz XOQGJSMKNKHCFU-OCCSQVGLSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000336555080 365639998 /nfs/dbraw/zinc/63/99/98/365639998.db2.gz XOQGJSMKNKHCFU-OCCSQVGLSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000336555080 365640001 /nfs/dbraw/zinc/64/00/01/365640001.db2.gz XOQGJSMKNKHCFU-OCCSQVGLSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000336555080 365640006 /nfs/dbraw/zinc/64/00/06/365640006.db2.gz XOQGJSMKNKHCFU-OCCSQVGLSA-N 2 1 265.426 2.368 20 0 CEADMP COc1c(C)cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000336566589 365654794 /nfs/dbraw/zinc/65/47/94/365654794.db2.gz IWJODMRKKSOHMX-HZPDHXFCSA-N 2 1 274.408 2.496 20 0 CEADMP COc1c(C)cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000336566589 365654796 /nfs/dbraw/zinc/65/47/96/365654796.db2.gz IWJODMRKKSOHMX-HZPDHXFCSA-N 2 1 274.408 2.496 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C2CCCC2)CC1 ZINC000124866177 365660870 /nfs/dbraw/zinc/66/08/70/365660870.db2.gz NYYVCYPVYFBWLB-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000621330058 349562928 /nfs/dbraw/zinc/56/29/28/349562928.db2.gz XULCNIQDXQSBOO-AWEZNQCLSA-N 2 1 277.412 2.302 20 0 CEADMP CCOc1cncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000621330109 349563283 /nfs/dbraw/zinc/56/32/83/349563283.db2.gz ZKBRPOVWAHKPIN-CABCVRRESA-N 2 1 275.396 2.197 20 0 CEADMP CCOc1cncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000621330109 349563286 /nfs/dbraw/zinc/56/32/86/349563286.db2.gz ZKBRPOVWAHKPIN-CABCVRRESA-N 2 1 275.396 2.197 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000621333779 349564280 /nfs/dbraw/zinc/56/42/80/349564280.db2.gz QHVMZILIDLMMGQ-ZDUSSCGKSA-N 2 1 288.395 2.411 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601333896 346823733 /nfs/dbraw/zinc/82/37/33/346823733.db2.gz IBLSLWHIYVPYDT-JKSUJKDBSA-N 2 1 288.391 2.047 20 0 CEADMP CC(C)n1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000125280815 187177816 /nfs/dbraw/zinc/17/78/16/187177816.db2.gz MOAXOICTPNSORK-CFVMTHIKSA-N 2 1 262.401 2.023 20 0 CEADMP CC(C)n1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000125280815 187177817 /nfs/dbraw/zinc/17/78/17/187177817.db2.gz MOAXOICTPNSORK-CFVMTHIKSA-N 2 1 262.401 2.023 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621381374 349588372 /nfs/dbraw/zinc/58/83/72/349588372.db2.gz RTBPNQSPUSAAJW-OAHLLOKOSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621381374 349588374 /nfs/dbraw/zinc/58/83/74/349588374.db2.gz RTBPNQSPUSAAJW-OAHLLOKOSA-N 2 1 279.428 2.455 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCC[NH+]1CCCCC1 ZINC000036908162 361870142 /nfs/dbraw/zinc/87/01/42/361870142.db2.gz YFFGSQBFJOJXRO-OWCLPIDISA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000036908162 361870143 /nfs/dbraw/zinc/87/01/43/361870143.db2.gz YFFGSQBFJOJXRO-OWCLPIDISA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000036908162 361870145 /nfs/dbraw/zinc/87/01/45/361870145.db2.gz YFFGSQBFJOJXRO-OWCLPIDISA-N 3 1 267.461 2.181 20 0 CEADMP CC[C@H](C)[NH2+]CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000037617892 361913025 /nfs/dbraw/zinc/91/30/25/361913025.db2.gz FTHZNGJUULQCOE-DOTOQJQBSA-N 2 1 275.440 2.363 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000037643781 361916002 /nfs/dbraw/zinc/91/60/02/361916002.db2.gz ONMZNDDTXOCOLY-GFCCVEGCSA-N 2 1 254.324 2.396 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000037643781 361916008 /nfs/dbraw/zinc/91/60/08/361916008.db2.gz ONMZNDDTXOCOLY-GFCCVEGCSA-N 2 1 254.324 2.396 20 0 CEADMP [NH3+]CCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037715585 361923987 /nfs/dbraw/zinc/92/39/87/361923987.db2.gz YKIFUIJRGHSXCH-UHFFFAOYSA-N 3 1 275.440 2.022 20 0 CEADMP COc1cc(C)nc(C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000337946730 214325521 /nfs/dbraw/zinc/32/55/21/214325521.db2.gz VJLIKVDYGOXTDW-UHFFFAOYSA-N 2 1 274.368 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000337949175 214326976 /nfs/dbraw/zinc/32/69/76/214326976.db2.gz FKZJEGMRGXPJGX-CABCVRRESA-N 2 1 265.401 2.375 20 0 CEADMP COC1(C[NH2+]CCCn2cc[nH+]c2C)CCCC1 ZINC000337949212 214327989 /nfs/dbraw/zinc/32/79/89/214327989.db2.gz NKHJCXSKGURBBB-UHFFFAOYSA-N 2 1 251.374 2.130 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337997075 214350666 /nfs/dbraw/zinc/35/06/66/214350666.db2.gz JTBPVHJDRIYCKD-CVEARBPZSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)C1(C(=O)OC)CCC1 ZINC000338014238 214361347 /nfs/dbraw/zinc/36/13/47/214361347.db2.gz FBPNXDJKPQJSTF-AWEZNQCLSA-N 2 1 293.411 2.293 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621642247 349650473 /nfs/dbraw/zinc/65/04/73/349650473.db2.gz IYHDVYWEKCPSJQ-HOTGVXAUSA-N 2 1 295.471 2.003 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCc2ccc(C)cc2)CC1 ZINC000089736010 539177603 /nfs/dbraw/zinc/17/76/03/539177603.db2.gz QQZULMCCFBGGEA-UHFFFAOYSA-N 2 1 276.424 2.238 20 0 CEADMP COc1cccc(C[N@H+](C)CC2CN(C)C2)c1OC(C)C ZINC000668538244 539193264 /nfs/dbraw/zinc/19/32/64/539193264.db2.gz XNOHSPFWBYNYFA-UHFFFAOYSA-N 2 1 292.423 2.476 20 0 CEADMP C[C@@H](c1cccnc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000071711631 539180764 /nfs/dbraw/zinc/18/07/64/539180764.db2.gz YYNSCNZQQIUXKE-AWEZNQCLSA-N 2 1 268.364 2.360 20 0 CEADMP COc1ccc(CC[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621777673 349699567 /nfs/dbraw/zinc/69/95/67/349699567.db2.gz DYEUZWDNGYHAHD-ZBFHGGJFSA-N 2 1 260.381 2.051 20 0 CEADMP COc1ccc(CC[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621777673 349699568 /nfs/dbraw/zinc/69/95/68/349699568.db2.gz DYEUZWDNGYHAHD-ZBFHGGJFSA-N 2 1 260.381 2.051 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccn1 ZINC000621776815 349699577 /nfs/dbraw/zinc/69/95/77/349699577.db2.gz XCKCKWSVVMHYIF-BBWFWOEESA-N 2 1 289.423 2.108 20 0 CEADMP COc1nc(C)cc(C)c1C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000621778486 349700081 /nfs/dbraw/zinc/70/00/81/349700081.db2.gz QCFYTNBIJRXIOJ-AWEZNQCLSA-N 2 1 277.412 2.138 20 0 CEADMP C[C@H](O)C1([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000668702844 539241131 /nfs/dbraw/zinc/24/11/31/539241131.db2.gz RASVGWKDKPHXGO-YQQAZPJKSA-N 2 1 288.435 2.400 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357105992 529568249 /nfs/dbraw/zinc/56/82/49/529568249.db2.gz OSIJNDFVQLKQAK-HOCLYGCPSA-N 2 1 274.408 2.299 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@H](C)C1 ZINC000449367784 282202729 /nfs/dbraw/zinc/20/27/29/282202729.db2.gz YTVBFVMESXOJIE-UGUYLWEFSA-N 2 1 295.471 2.083 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1cc(-n3ccnc3)cs1)C2 ZINC000622004571 349764448 /nfs/dbraw/zinc/76/44/48/349764448.db2.gz QPICJSOXUOVFSD-WFASDCNBSA-N 2 1 288.420 2.247 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1cc(-n3ccnc3)cs1)C2 ZINC000622004571 349764450 /nfs/dbraw/zinc/76/44/50/349764450.db2.gz QPICJSOXUOVFSD-WFASDCNBSA-N 2 1 288.420 2.247 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000567747876 299085507 /nfs/dbraw/zinc/08/55/07/299085507.db2.gz CARYIYSRLDMKGY-ZWKOTPCHSA-N 2 1 290.451 2.271 20 0 CEADMP Cc1nccn1CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166695695 539257488 /nfs/dbraw/zinc/25/74/88/539257488.db2.gz QBFMHAORFBDTTO-JKSUJKDBSA-N 2 1 276.428 2.188 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166695695 539257489 /nfs/dbraw/zinc/25/74/89/539257489.db2.gz QBFMHAORFBDTTO-JKSUJKDBSA-N 3 1 276.428 2.188 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166695695 539257490 /nfs/dbraw/zinc/25/74/90/539257490.db2.gz QBFMHAORFBDTTO-JKSUJKDBSA-N 3 1 276.428 2.188 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247990373 282209967 /nfs/dbraw/zinc/20/99/67/282209967.db2.gz JHZBYUANDJOITJ-LZWOXQAQSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247990373 282209970 /nfs/dbraw/zinc/20/99/70/282209970.db2.gz JHZBYUANDJOITJ-LZWOXQAQSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247990373 282209972 /nfs/dbraw/zinc/20/99/72/282209972.db2.gz JHZBYUANDJOITJ-LZWOXQAQSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247990373 282209974 /nfs/dbraw/zinc/20/99/74/282209974.db2.gz JHZBYUANDJOITJ-LZWOXQAQSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000227071805 539268841 /nfs/dbraw/zinc/26/88/41/539268841.db2.gz BXZOYGUQTOVOCC-HOCLYGCPSA-N 2 1 262.397 2.351 20 0 CEADMP Cc1ccsc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000668793720 539274399 /nfs/dbraw/zinc/27/43/99/539274399.db2.gz MHOCNHFJEUUDGO-UHFFFAOYSA-N 2 1 276.409 2.112 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000449395800 282217282 /nfs/dbraw/zinc/21/72/82/282217282.db2.gz VYQVUFALYJHJDV-KSZLIROESA-N 2 1 288.435 2.461 20 0 CEADMP c1ccc2c(NCCC[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000041720464 362049287 /nfs/dbraw/zinc/04/92/87/362049287.db2.gz XCISDRNQUKJPME-UHFFFAOYSA-N 2 1 271.364 2.369 20 0 CEADMP FC(F)(F)C1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000043326668 362143977 /nfs/dbraw/zinc/14/39/77/362143977.db2.gz YEEGPXUITVTKTH-VQXHTEKXSA-N 2 1 250.308 2.449 20 0 CEADMP COC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559783757 539316526 /nfs/dbraw/zinc/31/65/26/539316526.db2.gz AGDVBDVCQRDZHK-FVQBIDKESA-N 2 1 262.397 2.446 20 0 CEADMP COC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559783757 539316528 /nfs/dbraw/zinc/31/65/28/539316528.db2.gz AGDVBDVCQRDZHK-FVQBIDKESA-N 2 1 262.397 2.446 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCOC2)C1 ZINC000336702900 365767247 /nfs/dbraw/zinc/76/72/47/365767247.db2.gz IFIJYCVZIDNCAZ-HUUCEWRRSA-N 2 1 254.418 2.077 20 0 CEADMP COCC(COC)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449547767 282279605 /nfs/dbraw/zinc/27/96/05/282279605.db2.gz YRWBWDHTRIYDAJ-WMLDXEAASA-N 2 1 298.471 2.281 20 0 CEADMP CCCC[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000127944853 187342473 /nfs/dbraw/zinc/34/24/73/187342473.db2.gz XDEBPAXAMKITRE-IAGOWNOFSA-N 2 1 279.472 2.467 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](Cc2ccon2)CC1 ZINC000351338516 219092574 /nfs/dbraw/zinc/09/25/74/219092574.db2.gz LAFBXYGCKZJQMO-UHFFFAOYSA-N 2 1 251.374 2.228 20 0 CEADMP C[C@@H]1CCC[C@H](C)C1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128478684 365792615 /nfs/dbraw/zinc/79/26/15/365792615.db2.gz QDGJKVDAJQNGIC-SJPCQFCGSA-N 2 1 281.488 2.428 20 0 CEADMP CN(CC[N@@H+](C)Cc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000177379301 529903556 /nfs/dbraw/zinc/90/35/56/529903556.db2.gz FHLYSTMAQOKJPN-UHFFFAOYSA-N 2 1 293.430 2.284 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC(C)C)[C@@H](C)C1 ZINC000336783579 365799591 /nfs/dbraw/zinc/79/95/91/365799591.db2.gz BTYHGLJCSQTCLL-GJZGRUSLSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC(C)C)[C@@H](C)C1 ZINC000336783579 365799594 /nfs/dbraw/zinc/79/95/94/365799594.db2.gz BTYHGLJCSQTCLL-GJZGRUSLSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC(C)C)[C@@H](C)C1 ZINC000336783579 365799596 /nfs/dbraw/zinc/79/95/96/365799596.db2.gz BTYHGLJCSQTCLL-GJZGRUSLSA-N 2 1 256.434 2.321 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cc[nH+]c(N(C)C)n2)C1 ZINC000077190460 343909776 /nfs/dbraw/zinc/90/97/76/343909776.db2.gz KTCWSCBYJJDKIJ-ZIAGYGMSSA-N 2 1 291.443 2.323 20 0 CEADMP C[C@@H](CNc1cc[nH+]c(N(C)C)n1)[N@H+](C)Cc1ccccc1 ZINC000077219716 343911991 /nfs/dbraw/zinc/91/19/91/343911991.db2.gz QLDISHRWVCZESA-AWEZNQCLSA-N 2 1 299.422 2.475 20 0 CEADMP C[C@@H](CNc1cc[nH+]c(N(C)C)n1)[N@@H+](C)Cc1ccccc1 ZINC000077219716 343911993 /nfs/dbraw/zinc/91/19/93/343911993.db2.gz QLDISHRWVCZESA-AWEZNQCLSA-N 2 1 299.422 2.475 20 0 CEADMP C[NH2+]CCCN(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000127132384 187284695 /nfs/dbraw/zinc/28/46/95/187284695.db2.gz CENFGKYOJQGYEK-QGZVFWFLSA-N 2 1 275.440 2.192 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000091334507 344161712 /nfs/dbraw/zinc/16/17/12/344161712.db2.gz GPSGUCSGOHZNOM-SJORKVTESA-N 2 1 276.424 2.430 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000091334508 344161786 /nfs/dbraw/zinc/16/17/86/344161786.db2.gz GPSGUCSGOHZNOM-IRXDYDNUSA-N 2 1 276.424 2.430 20 0 CEADMP CCn1nc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)c1C ZINC000093770233 344228531 /nfs/dbraw/zinc/22/85/31/344228531.db2.gz UVMJJGCYTZEWDT-OAHLLOKOSA-N 2 1 278.444 2.293 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)c1C ZINC000093770233 344228533 /nfs/dbraw/zinc/22/85/33/344228533.db2.gz UVMJJGCYTZEWDT-OAHLLOKOSA-N 2 1 278.444 2.293 20 0 CEADMP CCn1nc(C)c(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)c1C ZINC000093770233 344228536 /nfs/dbraw/zinc/22/85/36/344228536.db2.gz UVMJJGCYTZEWDT-OAHLLOKOSA-N 2 1 278.444 2.293 20 0 CEADMP CCn1nc(C)c(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)c1C ZINC000093770233 344228538 /nfs/dbraw/zinc/22/85/38/344228538.db2.gz UVMJJGCYTZEWDT-OAHLLOKOSA-N 2 1 278.444 2.293 20 0 CEADMP CCn1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)c1C ZINC000093770234 344228603 /nfs/dbraw/zinc/22/86/03/344228603.db2.gz UVMJJGCYTZEWDT-HNNXBMFYSA-N 2 1 278.444 2.293 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)c1C ZINC000093770234 344228605 /nfs/dbraw/zinc/22/86/05/344228605.db2.gz UVMJJGCYTZEWDT-HNNXBMFYSA-N 2 1 278.444 2.293 20 0 CEADMP CCn1nc(C)c(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)c1C ZINC000093770234 344228607 /nfs/dbraw/zinc/22/86/07/344228607.db2.gz UVMJJGCYTZEWDT-HNNXBMFYSA-N 2 1 278.444 2.293 20 0 CEADMP CCn1nc(C)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)c1C ZINC000093770234 344228609 /nfs/dbraw/zinc/22/86/09/344228609.db2.gz UVMJJGCYTZEWDT-HNNXBMFYSA-N 2 1 278.444 2.293 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2nc(C)ccc2O)C1 ZINC000093742019 344229225 /nfs/dbraw/zinc/22/92/25/344229225.db2.gz KVMVHYAPHYXGKP-AWEZNQCLSA-N 2 1 277.412 2.259 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nc(C)ccc2O)C1 ZINC000093742019 344229227 /nfs/dbraw/zinc/22/92/27/344229227.db2.gz KVMVHYAPHYXGKP-AWEZNQCLSA-N 2 1 277.412 2.259 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2nc(C)ccc2O)C1 ZINC000093742019 344229229 /nfs/dbraw/zinc/22/92/29/344229229.db2.gz KVMVHYAPHYXGKP-AWEZNQCLSA-N 2 1 277.412 2.259 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nc(C)ccc2O)C1 ZINC000093742019 344229231 /nfs/dbraw/zinc/22/92/31/344229231.db2.gz KVMVHYAPHYXGKP-AWEZNQCLSA-N 2 1 277.412 2.259 20 0 CEADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000111300773 344270959 /nfs/dbraw/zinc/27/09/59/344270959.db2.gz BQXWINUSUFHVTE-OAHLLOKOSA-N 2 1 252.402 2.162 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@H]2C[C@H](N)c3ccccc32)CC1 ZINC000157429529 344446353 /nfs/dbraw/zinc/44/63/53/344446353.db2.gz LMEFQXJEJSWZIP-IRXDYDNUSA-N 2 1 273.424 2.453 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1CCC[C@H](C[NH3+])C1)O[C@H](C)C2 ZINC000159090813 344453331 /nfs/dbraw/zinc/45/33/31/344453331.db2.gz DGIZNXAFPNGUDH-CHWSQXEVSA-N 2 1 290.407 2.189 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CCC[C@H](C[NH3+])C1)O[C@H](C)C2 ZINC000159090813 344453334 /nfs/dbraw/zinc/45/33/34/344453334.db2.gz DGIZNXAFPNGUDH-CHWSQXEVSA-N 2 1 290.407 2.189 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000226406931 344549595 /nfs/dbraw/zinc/54/95/95/344549595.db2.gz WKSSHPGPKGFYNU-MRXNPFEDSA-N 2 1 291.439 2.315 20 0 CEADMP C([C@@H]1CCCCO1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051924915 362452489 /nfs/dbraw/zinc/45/24/89/362452489.db2.gz YDUHMENZSCJQSW-HNNXBMFYSA-N 2 1 252.402 2.116 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000245881392 344612949 /nfs/dbraw/zinc/61/29/49/344612949.db2.gz KVTVRNKSEPYVEP-KFESYUHLSA-N 2 1 298.471 2.421 20 0 CEADMP COCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000449740941 282348212 /nfs/dbraw/zinc/34/82/12/282348212.db2.gz IFGWPYZXDHNQKN-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(=O)OC)cs2)C1 ZINC000602524652 347066042 /nfs/dbraw/zinc/06/60/42/347066042.db2.gz OIKGQDNZVFJUBO-LBPRGKRZSA-N 2 1 296.436 2.356 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(=O)OC)cs2)C1 ZINC000602524652 347066045 /nfs/dbraw/zinc/06/60/45/347066045.db2.gz OIKGQDNZVFJUBO-LBPRGKRZSA-N 2 1 296.436 2.356 20 0 CEADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339065372 344767637 /nfs/dbraw/zinc/76/76/37/344767637.db2.gz AMAHETVOLDHZPK-OYFMXXACSA-N 2 1 298.496 2.283 20 0 CEADMP CCc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000379905898 344821663 /nfs/dbraw/zinc/82/16/63/344821663.db2.gz KCYAIJJFZKSQRG-BXUZGUMPSA-N 2 1 250.411 2.494 20 0 CEADMP CCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC000379905898 344821665 /nfs/dbraw/zinc/82/16/65/344821665.db2.gz KCYAIJJFZKSQRG-BXUZGUMPSA-N 2 1 250.411 2.494 20 0 CEADMP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1CCOCC1 ZINC000449778012 282363703 /nfs/dbraw/zinc/36/37/03/282363703.db2.gz ARWAKLDDMMZVKI-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1CCOCC1 ZINC000449778012 282363704 /nfs/dbraw/zinc/36/37/04/282363704.db2.gz ARWAKLDDMMZVKI-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[C@@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)CCO1 ZINC000449779478 282364186 /nfs/dbraw/zinc/36/41/86/282364186.db2.gz XODSTMUPBFQCFG-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449779797 282364864 /nfs/dbraw/zinc/36/48/64/282364864.db2.gz FEACKWZPRVYEAG-UHFFFAOYSA-N 2 1 270.417 2.040 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449779797 282364867 /nfs/dbraw/zinc/36/48/67/282364867.db2.gz FEACKWZPRVYEAG-UHFFFAOYSA-N 2 1 270.417 2.040 20 0 CEADMP OC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000386160767 344831214 /nfs/dbraw/zinc/83/12/14/344831214.db2.gz KWAPHCCOQSYGCU-MRXNPFEDSA-N 2 1 266.429 2.144 20 0 CEADMP Cc1noc([C@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000351616222 219147571 /nfs/dbraw/zinc/14/75/71/219147571.db2.gz RHBQDRCRIYMCMU-GJZGRUSLSA-N 2 1 292.427 2.432 20 0 CEADMP Cc1noc([C@H]2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000351616222 219147576 /nfs/dbraw/zinc/14/75/76/219147576.db2.gz RHBQDRCRIYMCMU-GJZGRUSLSA-N 2 1 292.427 2.432 20 0 CEADMP Cc1noc([C@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000351616222 219147578 /nfs/dbraw/zinc/14/75/78/219147578.db2.gz RHBQDRCRIYMCMU-GJZGRUSLSA-N 2 1 292.427 2.432 20 0 CEADMP Cc1noc([C@H]2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000351616222 219147581 /nfs/dbraw/zinc/14/75/81/219147581.db2.gz RHBQDRCRIYMCMU-GJZGRUSLSA-N 2 1 292.427 2.432 20 0 CEADMP CC[N@H+](C)C[C@H](O)CN(C)[C@H](C)Cc1ccccc1C ZINC000584789013 344987381 /nfs/dbraw/zinc/98/73/81/344987381.db2.gz UDUPXWIMZNMHMZ-WBVHZDCISA-N 2 1 278.440 2.170 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN(C)[C@H](C)Cc1ccccc1C ZINC000584789013 344987386 /nfs/dbraw/zinc/98/73/86/344987386.db2.gz UDUPXWIMZNMHMZ-WBVHZDCISA-N 2 1 278.440 2.170 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)Cc1ccccc1C ZINC000584789013 344987387 /nfs/dbraw/zinc/98/73/87/344987387.db2.gz UDUPXWIMZNMHMZ-WBVHZDCISA-N 2 1 278.440 2.170 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)Cc1ccccc1C ZINC000584789013 344987390 /nfs/dbraw/zinc/98/73/90/344987390.db2.gz UDUPXWIMZNMHMZ-WBVHZDCISA-N 2 1 278.440 2.170 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000584789013 344987394 /nfs/dbraw/zinc/98/73/94/344987394.db2.gz UDUPXWIMZNMHMZ-WBVHZDCISA-N 2 1 278.440 2.170 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000584789013 344987398 /nfs/dbraw/zinc/98/73/98/344987398.db2.gz UDUPXWIMZNMHMZ-WBVHZDCISA-N 2 1 278.440 2.170 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C[C@@H]1C ZINC000591275586 345236444 /nfs/dbraw/zinc/23/64/44/345236444.db2.gz HGNXUSUCUOGEIJ-ZQDZILKHSA-N 2 1 282.428 2.086 20 0 CEADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)C1CCOCC1 ZINC000568164709 299118549 /nfs/dbraw/zinc/11/85/49/299118549.db2.gz XUBUUCNMBGKKCV-UHFFFAOYSA-N 2 1 265.401 2.242 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000591282678 345237071 /nfs/dbraw/zinc/23/70/71/345237071.db2.gz MSAYKNJTKWPCDB-OAHLLOKOSA-N 2 1 288.391 2.238 20 0 CEADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)C1CCOCC1 ZINC000568164709 299118552 /nfs/dbraw/zinc/11/85/52/299118552.db2.gz XUBUUCNMBGKKCV-UHFFFAOYSA-N 2 1 265.401 2.242 20 0 CEADMP C[C@H]([NH2+]Cc1cn[nH]c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679721301 539450716 /nfs/dbraw/zinc/45/07/16/539450716.db2.gz LQIHKPRXPYYCCO-GXTWGEPZSA-N 2 1 262.401 2.152 20 0 CEADMP C[C@H]([NH2+]Cc1cn[nH]c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679721301 539450721 /nfs/dbraw/zinc/45/07/21/539450721.db2.gz LQIHKPRXPYYCCO-GXTWGEPZSA-N 2 1 262.401 2.152 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)[C@@H]1SC ZINC000592394933 345349491 /nfs/dbraw/zinc/34/94/91/345349491.db2.gz NLZNPNNEYKXNRZ-FWXGHANASA-N 2 1 298.496 2.358 20 0 CEADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CSC3)CC2)oc1C ZINC000679841325 539466545 /nfs/dbraw/zinc/46/65/45/539466545.db2.gz YJDQOBKRSOJRJB-UHFFFAOYSA-N 2 1 295.452 2.208 20 0 CEADMP Cc1ccc2cc(C[N@H+]3CC[C@@H](C[NH3+])C3)ccc2n1 ZINC000097862612 232187429 /nfs/dbraw/zinc/18/74/29/232187429.db2.gz YQZVONMUGZBTOI-AWEZNQCLSA-N 2 1 255.365 2.324 20 0 CEADMP CSC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000594502144 345638840 /nfs/dbraw/zinc/63/88/40/345638840.db2.gz XUOKCVQXCJEJAK-CQSZACIVSA-N 2 1 284.469 2.115 20 0 CEADMP CC[C@@H](CSC)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594516283 345642455 /nfs/dbraw/zinc/64/24/55/345642455.db2.gz XPJHEVLMDQJQIP-DZGCQCFKSA-N 2 1 286.485 2.361 20 0 CEADMP COC(=O)c1cc(C[NH2+]CCCn2cc[nH+]c2C)c(C)o1 ZINC000594600101 345656746 /nfs/dbraw/zinc/65/67/46/345656746.db2.gz JNODQKCRQSIVTQ-UHFFFAOYSA-N 2 1 291.351 2.059 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000594925649 345705130 /nfs/dbraw/zinc/70/51/30/345705130.db2.gz LZGXQTSRDTZIEJ-KBUPBQIOSA-N 2 1 296.455 2.284 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000594925649 345705131 /nfs/dbraw/zinc/70/51/31/345705131.db2.gz LZGXQTSRDTZIEJ-KBUPBQIOSA-N 2 1 296.455 2.284 20 0 CEADMP C[C@@H](CSCCF)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000595050462 345734860 /nfs/dbraw/zinc/73/48/60/345734860.db2.gz IQJGIZVYRKKETR-WODVXLOZSA-N 2 1 260.422 2.292 20 0 CEADMP Cc1cccc(OCC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000156100216 232234718 /nfs/dbraw/zinc/23/47/18/232234718.db2.gz TYVWRYMQOQLPIY-HUUCEWRRSA-N 2 1 262.397 2.446 20 0 CEADMP Cc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000156100216 232234719 /nfs/dbraw/zinc/23/47/19/232234719.db2.gz TYVWRYMQOQLPIY-HUUCEWRRSA-N 2 1 262.397 2.446 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000336786648 365806093 /nfs/dbraw/zinc/80/60/93/365806093.db2.gz CIEFMZVKHWMDSR-ILXRZTDVSA-N 3 1 255.450 2.214 20 0 CEADMP COC[C@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000174081213 232288228 /nfs/dbraw/zinc/28/82/28/232288228.db2.gz JYZMEFKNCKITGJ-LBPRGKRZSA-N 2 1 295.427 2.128 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000596095878 345938780 /nfs/dbraw/zinc/93/87/80/345938780.db2.gz QPZOCSFJNBUMIR-QQFBHYJXSA-N 2 1 294.439 2.040 20 0 CEADMP COC(=O)c1oc(C[NH2+]CCCn2cc[nH+]c2C)cc1C ZINC000597048517 346120147 /nfs/dbraw/zinc/12/01/47/346120147.db2.gz VTJYMEARWIDLGD-UHFFFAOYSA-N 2 1 291.351 2.059 20 0 CEADMP Cc1ccc2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)n2c1 ZINC000295130041 199361640 /nfs/dbraw/zinc/36/16/40/199361640.db2.gz YHRCOMNKTZWJTP-GOOCMWNKSA-N 2 1 284.407 2.358 20 0 CEADMP Cc1ccc2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)n2c1 ZINC000295130041 199361642 /nfs/dbraw/zinc/36/16/42/199361642.db2.gz YHRCOMNKTZWJTP-GOOCMWNKSA-N 2 1 284.407 2.358 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000459407022 290138945 /nfs/dbraw/zinc/13/89/45/290138945.db2.gz DLRZOBQGXOYZJY-INIZCTEOSA-N 2 1 265.445 2.077 20 0 CEADMP COCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCC1 ZINC000336794675 365816600 /nfs/dbraw/zinc/81/66/00/365816600.db2.gz DVFTZWMKOXEVKJ-HZSPNIEDSA-N 2 1 254.418 2.121 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCC[NH+]1C ZINC000599403808 346514636 /nfs/dbraw/zinc/51/46/36/346514636.db2.gz DEPZGJONVFFZQZ-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000599403808 346514637 /nfs/dbraw/zinc/51/46/37/346514637.db2.gz DEPZGJONVFFZQZ-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000599403808 346514638 /nfs/dbraw/zinc/51/46/38/346514638.db2.gz DEPZGJONVFFZQZ-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000336794900 365817762 /nfs/dbraw/zinc/81/77/62/365817762.db2.gz GOALGJXVRYNVIE-ZIAGYGMSSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCCN2C)C1 ZINC000599318726 346498399 /nfs/dbraw/zinc/49/83/99/346498399.db2.gz LVZVBCKJWDOYCV-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000599318726 346498400 /nfs/dbraw/zinc/49/84/00/346498400.db2.gz LVZVBCKJWDOYCV-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000599318726 346498401 /nfs/dbraw/zinc/49/84/01/346498401.db2.gz LVZVBCKJWDOYCV-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000599318726 346498402 /nfs/dbraw/zinc/49/84/02/346498402.db2.gz LVZVBCKJWDOYCV-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000599318726 346498403 /nfs/dbraw/zinc/49/84/03/346498403.db2.gz LVZVBCKJWDOYCV-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCCN2C)C1 ZINC000599318727 346498469 /nfs/dbraw/zinc/49/84/69/346498469.db2.gz LVZVBCKJWDOYCV-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000599318727 346498471 /nfs/dbraw/zinc/49/84/71/346498471.db2.gz LVZVBCKJWDOYCV-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000599318727 346498472 /nfs/dbraw/zinc/49/84/72/346498472.db2.gz LVZVBCKJWDOYCV-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000599318727 346498473 /nfs/dbraw/zinc/49/84/73/346498473.db2.gz LVZVBCKJWDOYCV-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000599318727 346498475 /nfs/dbraw/zinc/49/84/75/346498475.db2.gz LVZVBCKJWDOYCV-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP c1c[nH+]c(C2CCN(CC[NH+]3CCCCC3)CC2)[nH]1 ZINC000336798143 365822382 /nfs/dbraw/zinc/82/23/82/365822382.db2.gz CVIRCFICGHSNKR-UHFFFAOYSA-N 2 1 262.401 2.075 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC[C@@H]2CCC[NH+]2C)C[C@H]1C ZINC000336799562 365826724 /nfs/dbraw/zinc/82/67/24/365826724.db2.gz JBIYUCQJBRXTQH-PMPSAXMXSA-N 3 1 267.461 2.275 20 0 CEADMP CC[NH+]1CC[C@H](N(C)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000336799562 365826727 /nfs/dbraw/zinc/82/67/27/365826727.db2.gz JBIYUCQJBRXTQH-PMPSAXMXSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CC[C@H](N(C)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC000336799562 365826730 /nfs/dbraw/zinc/82/67/30/365826730.db2.gz JBIYUCQJBRXTQH-PMPSAXMXSA-N 2 1 267.461 2.275 20 0 CEADMP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600168124 346612340 /nfs/dbraw/zinc/61/23/40/346612340.db2.gz FCDHTOBFKCVUJC-MCIONIFRSA-N 2 1 282.428 2.181 20 0 CEADMP Cc1cccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000129205815 365835860 /nfs/dbraw/zinc/83/58/60/365835860.db2.gz UKVLAIOBMMITRZ-KRWDZBQOSA-N 2 1 274.408 2.149 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@H]1CCOC1 ZINC000128447717 187370835 /nfs/dbraw/zinc/37/08/35/187370835.db2.gz OGINRFAPSTUEMQ-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336814657 365856888 /nfs/dbraw/zinc/85/68/88/365856888.db2.gz XRDJEMITOKNDHG-TUAOUCFPSA-N 2 1 282.350 2.416 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336814657 365856892 /nfs/dbraw/zinc/85/68/92/365856892.db2.gz XRDJEMITOKNDHG-TUAOUCFPSA-N 2 1 282.350 2.416 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000336820249 365866413 /nfs/dbraw/zinc/86/64/13/365866413.db2.gz CGOUWOIQEMCVLX-INIZCTEOSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000336820249 365866420 /nfs/dbraw/zinc/86/64/20/365866420.db2.gz CGOUWOIQEMCVLX-INIZCTEOSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000336820385 365868043 /nfs/dbraw/zinc/86/80/43/365868043.db2.gz CSNLRNXKTUQABH-UHFFFAOYSA-N 3 1 278.444 2.245 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C[C@@H]1C ZINC000129454856 365860524 /nfs/dbraw/zinc/86/05/24/365860524.db2.gz VIKJJXKXBWDEGU-IKGGRYGDSA-N 2 1 281.488 2.428 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC[C@@H]2CCC[NH+]2C)C1 ZINC000336821854 365871100 /nfs/dbraw/zinc/87/11/00/365871100.db2.gz JKIVRHCNIYUTKS-IRXDYDNUSA-N 2 1 279.472 2.134 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336821854 365871103 /nfs/dbraw/zinc/87/11/03/365871103.db2.gz JKIVRHCNIYUTKS-IRXDYDNUSA-N 2 1 279.472 2.134 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000336821854 365871104 /nfs/dbraw/zinc/87/11/04/365871104.db2.gz JKIVRHCNIYUTKS-IRXDYDNUSA-N 2 1 279.472 2.134 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN([C@H](C(=O)OC(C)(C)C)C3CC3)C2)C1 ZINC000602843037 347221585 /nfs/dbraw/zinc/22/15/85/347221585.db2.gz YFJFYPRDBRZONN-WMLDXEAASA-N 2 1 294.439 2.134 20 0 CEADMP CCC[C@@H](C(=O)OCC)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877331 347234636 /nfs/dbraw/zinc/23/46/36/347234636.db2.gz LPSWAPMQJCCCRL-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cs1 ZINC000603517415 347377305 /nfs/dbraw/zinc/37/73/05/347377305.db2.gz UNRGUJUMCIVYKM-HNNXBMFYSA-N 2 1 280.437 2.481 20 0 CEADMP c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000603517161 347377477 /nfs/dbraw/zinc/37/74/77/347377477.db2.gz GKTFUMJCEMMIMJ-QGZVFWFLSA-N 2 1 274.408 2.420 20 0 CEADMP c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cs1 ZINC000603517416 347377692 /nfs/dbraw/zinc/37/76/92/347377692.db2.gz UNRGUJUMCIVYKM-OAHLLOKOSA-N 2 1 280.437 2.481 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000129650682 365883113 /nfs/dbraw/zinc/88/31/13/365883113.db2.gz NUCWACGMCDCUNY-DZGCQCFKSA-N 2 1 290.407 2.073 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2nc(C)cc2C)[C@H](C)C1 ZINC000336825235 365883824 /nfs/dbraw/zinc/88/38/24/365883824.db2.gz XRSFUJGQLKRYPK-CZUORRHYSA-N 2 1 278.444 2.162 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2nc(C)cc2C)[C@H](C)C1 ZINC000336825235 365883832 /nfs/dbraw/zinc/88/38/32/365883832.db2.gz XRSFUJGQLKRYPK-CZUORRHYSA-N 2 1 278.444 2.162 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2nc(C)cc2C)[C@H](C)C1 ZINC000336825235 365883836 /nfs/dbraw/zinc/88/38/36/365883836.db2.gz XRSFUJGQLKRYPK-CZUORRHYSA-N 2 1 278.444 2.162 20 0 CEADMP CC[NH+](CCC[N@H+](CC)C[C@H]1CCOC1)C[C@@H]1CCOC1 ZINC000607152802 347510704 /nfs/dbraw/zinc/51/07/04/347510704.db2.gz TWOOYDOXQMTYOW-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP CC[NH+](CCC[N@H+](CC)C[C@@H]1CCOC1)C[C@H]1CCOC1 ZINC000607152802 347510706 /nfs/dbraw/zinc/51/07/06/347510706.db2.gz TWOOYDOXQMTYOW-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP CC[NH+](CCC[N@@H+](CC)C[C@@H]1CCOC1)C[C@H]1CCOC1 ZINC000607152802 347510708 /nfs/dbraw/zinc/51/07/08/347510708.db2.gz TWOOYDOXQMTYOW-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000607357821 347516262 /nfs/dbraw/zinc/51/62/62/347516262.db2.gz FRVLMKJORWRYLY-QGZVFWFLSA-N 2 1 298.471 2.234 20 0 CEADMP Cn1cc[nH+]c1C[C@H](NCc1ncc[nH]1)c1ccccc1 ZINC000608074499 347561072 /nfs/dbraw/zinc/56/10/72/347561072.db2.gz SXJQVRLSQXTERN-AWEZNQCLSA-N 2 1 281.363 2.217 20 0 CEADMP CN(C)c1cccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000608497237 347596356 /nfs/dbraw/zinc/59/63/56/347596356.db2.gz NVVJEHKEYDNTMM-HNNXBMFYSA-N 2 1 261.413 2.136 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000459556160 290178149 /nfs/dbraw/zinc/17/81/49/290178149.db2.gz JRLYAPNCJRNTBQ-CQSZACIVSA-N 2 1 267.461 2.323 20 0 CEADMP COc1c(C)c[nH+]c(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1C ZINC000336884507 365932969 /nfs/dbraw/zinc/93/29/69/365932969.db2.gz BOAXDKNEWOQXRI-BETUJISGSA-N 2 1 277.412 2.231 20 0 CEADMP COc1c(C)c[nH+]c(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1C ZINC000336884507 365932971 /nfs/dbraw/zinc/93/29/71/365932971.db2.gz BOAXDKNEWOQXRI-BETUJISGSA-N 2 1 277.412 2.231 20 0 CEADMP c1[nH]nc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c12 ZINC000623361156 349999394 /nfs/dbraw/zinc/99/93/94/349999394.db2.gz PJAHRPNECNOGJP-KBPBESRZSA-N 2 1 270.380 2.279 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457084393 539656480 /nfs/dbraw/zinc/65/64/80/539656480.db2.gz NZVUCHPHRLIITG-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CCc1nc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000339069187 539659004 /nfs/dbraw/zinc/65/90/04/539659004.db2.gz RVXOOKBBOHONIV-OCCSQVGLSA-N 2 1 279.453 2.464 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000339067096 539659133 /nfs/dbraw/zinc/65/91/33/539659133.db2.gz FPOTWJZJVYVDBP-MELADBBJSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)C[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506855 348718143 /nfs/dbraw/zinc/71/81/43/348718143.db2.gz AHUFXVCFHBMMMX-CABCVRRESA-N 2 1 285.476 2.057 20 0 CEADMP CC(C)C[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506855 348718146 /nfs/dbraw/zinc/71/81/46/348718146.db2.gz AHUFXVCFHBMMMX-CABCVRRESA-N 2 1 285.476 2.057 20 0 CEADMP CC(C)C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339242350 539670025 /nfs/dbraw/zinc/67/00/25/539670025.db2.gz ZHQIDZIPOOQGLL-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000617928456 348828314 /nfs/dbraw/zinc/82/83/14/348828314.db2.gz QAHAXACACZRNKZ-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)C ZINC000618662394 349011922 /nfs/dbraw/zinc/01/19/22/349011922.db2.gz XUHXLGVTFCFUNK-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccncc2F)C1 ZINC000459779845 539705305 /nfs/dbraw/zinc/70/53/05/539705305.db2.gz LPQQDKQDEAVYKP-LBPRGKRZSA-N 2 1 251.349 2.042 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N(C)C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000362752965 233174418 /nfs/dbraw/zinc/17/44/18/233174418.db2.gz LBZWAHJDPSBCEN-OAHLLOKOSA-N 2 1 299.422 2.354 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N(C)C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000362752965 233174422 /nfs/dbraw/zinc/17/44/22/233174422.db2.gz LBZWAHJDPSBCEN-OAHLLOKOSA-N 2 1 299.422 2.354 20 0 CEADMP C[C@H](C[NH+](C)CC[C@@H]1CCC[N@H+]1C)C(=O)OC(C)(C)C ZINC000459788945 290240516 /nfs/dbraw/zinc/24/05/16/290240516.db2.gz DIYUFNLISOHGTR-KGLIPLIRSA-N 2 1 284.444 2.380 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000389769220 539724174 /nfs/dbraw/zinc/72/41/74/539724174.db2.gz BOASGZGJQNDBCW-WMZOPIPTSA-N 2 1 296.418 2.433 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623372893 350002882 /nfs/dbraw/zinc/00/28/82/350002882.db2.gz KSVCBLBPHAIYQG-ZDUSSCGKSA-N 2 1 272.396 2.384 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000340517263 539728297 /nfs/dbraw/zinc/72/82/97/539728297.db2.gz DUVVHLBUAHPEFT-YJNKXOJESA-N 2 1 266.429 2.264 20 0 CEADMP Cc1ncsc1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623406245 350010803 /nfs/dbraw/zinc/01/08/03/350010803.db2.gz QBOXMVXCDJPMNS-NSHDSACASA-N 2 1 253.415 2.414 20 0 CEADMP Cc1ncsc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623406245 350010809 /nfs/dbraw/zinc/01/08/09/350010809.db2.gz QBOXMVXCDJPMNS-NSHDSACASA-N 2 1 253.415 2.414 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623403277 350011097 /nfs/dbraw/zinc/01/10/97/350011097.db2.gz QAAYYSLJMAUCPP-OAHLLOKOSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623403277 350011100 /nfs/dbraw/zinc/01/11/00/350011100.db2.gz QAAYYSLJMAUCPP-OAHLLOKOSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccccc2)CC1(C)C ZINC000623420747 350015446 /nfs/dbraw/zinc/01/54/46/350015446.db2.gz NRIYBLLZGBGBJN-GJZGRUSLSA-N 2 1 262.397 2.182 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccccc2)CC1(C)C ZINC000623420747 350015448 /nfs/dbraw/zinc/01/54/48/350015448.db2.gz NRIYBLLZGBGBJN-GJZGRUSLSA-N 2 1 262.397 2.182 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCC(C)(C)CO)CC1(C)C ZINC000623428843 350018564 /nfs/dbraw/zinc/01/85/64/350018564.db2.gz AVYOWKJURFSZJS-CYBMUJFWSA-N 2 1 256.434 2.248 20 0 CEADMP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623431847 350019404 /nfs/dbraw/zinc/01/94/04/350019404.db2.gz UOXBBOIBLYETSS-IUODEOHRSA-N 2 1 292.471 2.430 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1(C)C ZINC000623443244 350021919 /nfs/dbraw/zinc/02/19/19/350021919.db2.gz WEMOTBMBIZZYHB-RWMBFGLXSA-N 2 1 254.418 2.262 20 0 CEADMP C[NH+](C)CCOCC[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000623494105 350034064 /nfs/dbraw/zinc/03/40/64/350034064.db2.gz BWQYNWXBOLQIQJ-UHFFFAOYSA-N 2 1 292.757 2.286 20 0 CEADMP CO[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(F)(F)F ZINC000623504693 350036253 /nfs/dbraw/zinc/03/62/53/350036253.db2.gz ZSLCYXCRHFLYEZ-GHMZBOCLSA-N 2 1 282.350 2.416 20 0 CEADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623528735 350041553 /nfs/dbraw/zinc/04/15/53/350041553.db2.gz AHBVXKLUGDQPRS-DZGCQCFKSA-N 2 1 254.418 2.264 20 0 CEADMP COC1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623547692 350047713 /nfs/dbraw/zinc/04/77/13/350047713.db2.gz YGPCWMWCRBCMKF-MOKVOYLWSA-N 2 1 254.418 2.406 20 0 CEADMP C[N@H+]1CC[C@@H](NC[C@H]2CC[NH+]2C(C)(C)C)CC1(C)C ZINC000623562329 350051806 /nfs/dbraw/zinc/05/18/06/350051806.db2.gz OPGPZDFOFRHSAL-ZIAGYGMSSA-N 2 1 267.461 2.322 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCN2C(C)(C)C)CC1(C)C ZINC000623562329 350051814 /nfs/dbraw/zinc/05/18/14/350051814.db2.gz OPGPZDFOFRHSAL-ZIAGYGMSSA-N 2 1 267.461 2.322 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2(C)C)CC1(C)C ZINC000623574348 350055142 /nfs/dbraw/zinc/05/51/42/350055142.db2.gz LLTHCEQLWLMCML-STQMWFEESA-N 2 1 254.418 2.264 20 0 CEADMP COc1ccccc1/C=C\CNC[C@H]1CCC[N@@H+]1C ZINC000623634437 350071693 /nfs/dbraw/zinc/07/16/93/350071693.db2.gz BTNINZGZNQNYMY-GTBONMDNSA-N 2 1 260.381 2.392 20 0 CEADMP COc1ccccc1/C=C\CNC[C@H]1CCC[N@H+]1C ZINC000623634437 350071697 /nfs/dbraw/zinc/07/16/97/350071697.db2.gz BTNINZGZNQNYMY-GTBONMDNSA-N 2 1 260.381 2.392 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCCO2)CC1 ZINC000623903067 350138750 /nfs/dbraw/zinc/13/87/50/350138750.db2.gz YIQTTZWONYFZPM-WBVHZDCISA-N 2 1 298.471 2.423 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000624120794 350198765 /nfs/dbraw/zinc/19/87/65/350198765.db2.gz HAQQFSZGBQSAMV-HUUCEWRRSA-N 3 1 267.461 2.038 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000624123699 350200718 /nfs/dbraw/zinc/20/07/18/350200718.db2.gz RCPKOBHAPJYWJF-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)ccn1 ZINC000624123355 350200799 /nfs/dbraw/zinc/20/07/99/350200799.db2.gz KNOFRDOUIXUKFM-KBPBESRZSA-N 2 1 277.412 2.473 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccn1 ZINC000624123355 350200803 /nfs/dbraw/zinc/20/08/03/350200803.db2.gz KNOFRDOUIXUKFM-KBPBESRZSA-N 2 1 277.412 2.473 20 0 CEADMP CCCCC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662383 180219943 /nfs/dbraw/zinc/21/99/43/180219943.db2.gz OMRCQCKUVCFPHT-ZNMIVQPWSA-N 2 1 254.418 2.408 20 0 CEADMP CCCCC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662383 180219945 /nfs/dbraw/zinc/21/99/45/180219945.db2.gz OMRCQCKUVCFPHT-ZNMIVQPWSA-N 2 1 254.418 2.408 20 0 CEADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3cn[nH]c3)C2)c1 ZINC000624218635 350232680 /nfs/dbraw/zinc/23/26/80/350232680.db2.gz UBSXMPBWQWKQPP-ZDUSSCGKSA-N 2 1 290.436 2.473 20 0 CEADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3cn[nH]c3)C2)c1 ZINC000624218635 350232683 /nfs/dbraw/zinc/23/26/83/350232683.db2.gz UBSXMPBWQWKQPP-ZDUSSCGKSA-N 2 1 290.436 2.473 20 0 CEADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000412136970 233348653 /nfs/dbraw/zinc/34/86/53/233348653.db2.gz VPXKYRFDRLKYNI-SUJAAXHWSA-N 2 1 295.471 2.046 20 0 CEADMP COc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000091843630 180268838 /nfs/dbraw/zinc/26/88/38/180268838.db2.gz LTLYSSKXZVIDSV-UHFFFAOYSA-N 2 1 278.396 2.406 20 0 CEADMP C[N@@H+](Cc1ccncc1Cl)C1CCC([NH3+])CC1 ZINC000091847457 180270916 /nfs/dbraw/zinc/27/09/16/180270916.db2.gz WQXCIQMIJSJLED-UHFFFAOYSA-N 2 1 253.777 2.437 20 0 CEADMP Cc1cccc(NC(=O)C[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000091847400 180271068 /nfs/dbraw/zinc/27/10/68/180271068.db2.gz QSXHUTDEYZXBPH-UHFFFAOYSA-N 2 1 275.396 2.135 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000417984042 282694129 /nfs/dbraw/zinc/69/41/29/282694129.db2.gz GFEZWYZWGQSLPW-SJORKVTESA-N 2 1 288.435 2.227 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@H](C[NH+](C)CC)C1)C1CC1 ZINC000625214268 350430356 /nfs/dbraw/zinc/43/03/56/350430356.db2.gz HUCXGLNKIXRLFS-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CCO[C@H](C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1)C1CC1 ZINC000625211419 350430517 /nfs/dbraw/zinc/43/05/17/350430517.db2.gz COXCBDDFDMUWHW-BPLDGKMQSA-N 2 1 254.418 2.216 20 0 CEADMP CCO[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000625211419 350430519 /nfs/dbraw/zinc/43/05/19/350430519.db2.gz COXCBDDFDMUWHW-BPLDGKMQSA-N 2 1 254.418 2.216 20 0 CEADMP CCO[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000625211419 350430522 /nfs/dbraw/zinc/43/05/22/350430522.db2.gz COXCBDDFDMUWHW-BPLDGKMQSA-N 2 1 254.418 2.216 20 0 CEADMP CCO[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000625211419 350430524 /nfs/dbraw/zinc/43/05/24/350430524.db2.gz COXCBDDFDMUWHW-BPLDGKMQSA-N 2 1 254.418 2.216 20 0 CEADMP CCO[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000625211419 350430526 /nfs/dbraw/zinc/43/05/26/350430526.db2.gz COXCBDDFDMUWHW-BPLDGKMQSA-N 2 1 254.418 2.216 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000092366804 180369068 /nfs/dbraw/zinc/36/90/68/180369068.db2.gz ALCVUAPRENHOSY-LLVKDONJSA-N 2 1 253.777 2.296 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1O ZINC000106868855 186144992 /nfs/dbraw/zinc/14/49/92/186144992.db2.gz UZKDBCZOXMPCMK-UONOGXRCSA-N 2 1 276.380 2.117 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1O ZINC000106868855 186144994 /nfs/dbraw/zinc/14/49/94/186144994.db2.gz UZKDBCZOXMPCMK-UONOGXRCSA-N 2 1 276.380 2.117 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CC(C)(C)CCC1(C)C)C1CC1 ZINC000625723927 350554388 /nfs/dbraw/zinc/55/43/88/350554388.db2.gz XVSIPCIIFLRARU-CQSZACIVSA-N 2 1 268.445 2.342 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CC(C)(C)CCC1(C)C)C1CC1 ZINC000625723927 350554390 /nfs/dbraw/zinc/55/43/90/350554390.db2.gz XVSIPCIIFLRARU-CQSZACIVSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CC(C)(C)CCC1(C)C)C1CC1 ZINC000625723927 350554392 /nfs/dbraw/zinc/55/43/92/350554392.db2.gz XVSIPCIIFLRARU-CQSZACIVSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CC(C)(C)CCC1(C)C)C1CC1 ZINC000625723927 350554394 /nfs/dbraw/zinc/55/43/94/350554394.db2.gz XVSIPCIIFLRARU-CQSZACIVSA-N 2 1 268.445 2.342 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000130624351 365975419 /nfs/dbraw/zinc/97/54/19/365975419.db2.gz ZZPLRNWQXYDBGV-KBMXLJTQSA-N 2 1 262.397 2.101 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH+](C)C(C)C)C1 ZINC000110976653 186339260 /nfs/dbraw/zinc/33/92/60/186339260.db2.gz YGUBGCLNERILFO-HNNXBMFYSA-N 2 1 297.487 2.343 20 0 CEADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)C[N@H+](C)C(C)C)C1 ZINC000110976653 186339261 /nfs/dbraw/zinc/33/92/61/186339261.db2.gz YGUBGCLNERILFO-HNNXBMFYSA-N 2 1 297.487 2.343 20 0 CEADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC000110976653 186339262 /nfs/dbraw/zinc/33/92/62/186339262.db2.gz YGUBGCLNERILFO-HNNXBMFYSA-N 2 1 297.487 2.343 20 0 CEADMP CCC1(CC)[C@H]([NH2+]CCc2c[nH+]cn2C)[C@@H](C)[C@H]1OC ZINC000471774327 290282732 /nfs/dbraw/zinc/28/27/32/290282732.db2.gz SIBYJZVEZTYOLF-BPLDGKMQSA-N 2 1 279.428 2.392 20 0 CEADMP Cc1cnn(C)c1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000352233690 219376052 /nfs/dbraw/zinc/37/60/52/219376052.db2.gz YVALZGDQKLFZHC-AWEZNQCLSA-N 2 1 264.417 2.083 20 0 CEADMP Cc1cnn(C)c1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000352233690 219376055 /nfs/dbraw/zinc/37/60/55/219376055.db2.gz YVALZGDQKLFZHC-AWEZNQCLSA-N 2 1 264.417 2.083 20 0 CEADMP CC[C@@H](C)[N@@H+](CCO)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000628301551 351051345 /nfs/dbraw/zinc/05/13/45/351051345.db2.gz XINJPJCHYCQHDX-OAHLLOKOSA-N 2 1 294.439 2.220 20 0 CEADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000629543766 351404904 /nfs/dbraw/zinc/40/49/04/351404904.db2.gz AYRARHUTYCYGIL-WMHQRMGPSA-N 2 1 259.397 2.448 20 0 CEADMP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(F)c1 ZINC000629519405 351386445 /nfs/dbraw/zinc/38/64/45/351386445.db2.gz GHRSDFVHLGHAQO-AWEZNQCLSA-N 2 1 266.360 2.374 20 0 CEADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2cc(F)cc3F)CCOCC1 ZINC000629523687 351389002 /nfs/dbraw/zinc/38/90/02/351389002.db2.gz IAYFGCJSXAMZEB-AWEZNQCLSA-N 2 1 282.334 2.050 20 0 CEADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CCOCC1 ZINC000629525464 351390553 /nfs/dbraw/zinc/39/05/53/351390553.db2.gz UTYLKVHFVZLLCW-OAHLLOKOSA-N 2 1 278.371 2.301 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C[C@@H]1OC ZINC000629534737 351398118 /nfs/dbraw/zinc/39/81/18/351398118.db2.gz AVKXBZJJPCUOPI-SYQHCUMBSA-N 2 1 254.418 2.310 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000629537388 351399544 /nfs/dbraw/zinc/39/95/44/351399544.db2.gz JZBKAUISWIISBZ-VVLHAWIVSA-N 2 1 296.455 2.020 20 0 CEADMP Cc1oc2ccccc2c1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629389415 351347094 /nfs/dbraw/zinc/34/70/94/351347094.db2.gz XJDSPFNCDRPSJQ-UHFFFAOYSA-N 2 1 274.364 2.339 20 0 CEADMP C[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271433250 191134799 /nfs/dbraw/zinc/13/47/99/191134799.db2.gz DLUXAMQMPYLYHX-DZKIICNBSA-N 2 1 262.397 2.010 20 0 CEADMP C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271433250 191134801 /nfs/dbraw/zinc/13/48/01/191134801.db2.gz DLUXAMQMPYLYHX-DZKIICNBSA-N 2 1 262.397 2.010 20 0 CEADMP CCO[C@@H](C[N@H+]1CC2CCC1(C[NH3+])CC2)C1CC1 ZINC000629548132 351407479 /nfs/dbraw/zinc/40/74/79/351407479.db2.gz MHFJJBMMCHZEGL-BLZCZZARSA-N 2 1 252.402 2.005 20 0 CEADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c(OC)c1 ZINC000070148475 363037104 /nfs/dbraw/zinc/03/71/04/363037104.db2.gz JUGQVCZZXQILEP-CQSZACIVSA-N 2 1 278.396 2.407 20 0 CEADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c(OC)c1 ZINC000070148475 363037109 /nfs/dbraw/zinc/03/71/09/363037109.db2.gz JUGQVCZZXQILEP-CQSZACIVSA-N 2 1 278.396 2.407 20 0 CEADMP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc(OC)c1 ZINC000070148809 363037168 /nfs/dbraw/zinc/03/71/68/363037168.db2.gz TXPVBMXKTBEJSN-CQSZACIVSA-N 2 1 278.396 2.407 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070169732 363043529 /nfs/dbraw/zinc/04/35/29/363043529.db2.gz ZWFHREHPPVBHQM-CYBMUJFWSA-N 2 1 276.380 2.034 20 0 CEADMP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171700 363045496 /nfs/dbraw/zinc/04/54/96/363045496.db2.gz FZJITGGMWKMYAL-CHWSQXEVSA-N 2 1 278.396 2.263 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171700 363045499 /nfs/dbraw/zinc/04/54/99/363045499.db2.gz FZJITGGMWKMYAL-CHWSQXEVSA-N 2 1 278.396 2.263 20 0 CEADMP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070174161 363047516 /nfs/dbraw/zinc/04/75/16/363047516.db2.gz LXMABKKFWWJKOD-ZFWWWQNUSA-N 2 1 290.407 2.327 20 0 CEADMP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070174161 363047518 /nfs/dbraw/zinc/04/75/18/363047518.db2.gz LXMABKKFWWJKOD-ZFWWWQNUSA-N 2 1 290.407 2.327 20 0 CEADMP CCc1nc(C[NH+]2CCC(CC[NH3+])CC2)cs1 ZINC000070188375 363051086 /nfs/dbraw/zinc/05/10/86/363051086.db2.gz ZJKZGOKBVOEDBF-UHFFFAOYSA-N 2 1 253.415 2.266 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1OC(F)F ZINC000131572684 366067346 /nfs/dbraw/zinc/06/73/46/366067346.db2.gz IUNJUQKBWLROPP-GHMZBOCLSA-N 2 1 270.323 2.457 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OC(F)F ZINC000131572684 366067352 /nfs/dbraw/zinc/06/73/52/366067352.db2.gz IUNJUQKBWLROPP-GHMZBOCLSA-N 2 1 270.323 2.457 20 0 CEADMP COc1ccc([C@H](CN(C)C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000569120410 299182443 /nfs/dbraw/zinc/18/24/43/299182443.db2.gz GHRLMPMPXKKWDL-UXLLHSPISA-N 2 1 291.439 2.157 20 0 CEADMP C[C@@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C[NH+](C)C ZINC000291737274 198075581 /nfs/dbraw/zinc/07/55/81/198075581.db2.gz OMOFYUPVKCZRJR-NSHDSACASA-N 2 1 298.814 2.399 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000122711796 187046945 /nfs/dbraw/zinc/04/69/45/187046945.db2.gz NSWUBWPSDBTFAC-ZMSDIMECSA-N 3 1 281.488 2.427 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)CC1 ZINC000122711796 187046946 /nfs/dbraw/zinc/04/69/46/187046946.db2.gz NSWUBWPSDBTFAC-ZMSDIMECSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCOc1ccccc1 ZINC000123714064 187105823 /nfs/dbraw/zinc/10/58/23/187105823.db2.gz LBCGJRZDHLZDSS-HNNXBMFYSA-N 2 1 250.386 2.371 20 0 CEADMP COC(=O)CC[N@H+](CCCCn1cc[nH+]c1C)C(C)C ZINC000123981754 187116972 /nfs/dbraw/zinc/11/69/72/187116972.db2.gz XEUKCHRKTJJDQI-UHFFFAOYSA-N 2 1 281.400 2.245 20 0 CEADMP COC(=O)CC[N@@H+](CCCCn1cc[nH+]c1C)C(C)C ZINC000123981754 187116973 /nfs/dbraw/zinc/11/69/73/187116973.db2.gz XEUKCHRKTJJDQI-UHFFFAOYSA-N 2 1 281.400 2.245 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000631047373 351936887 /nfs/dbraw/zinc/93/68/87/351936887.db2.gz TXBIGLCCVFICOO-UHFFFAOYSA-N 2 1 286.379 2.330 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(NC(C)=O)c2)C1 ZINC000631049637 351938862 /nfs/dbraw/zinc/93/88/62/351938862.db2.gz MYVAKGKYVKBVBA-MRXNPFEDSA-N 2 1 289.423 2.467 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(NC(C)=O)c2)C1 ZINC000631049637 351938864 /nfs/dbraw/zinc/93/88/64/351938864.db2.gz MYVAKGKYVKBVBA-MRXNPFEDSA-N 2 1 289.423 2.467 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000631181193 352004469 /nfs/dbraw/zinc/00/44/69/352004469.db2.gz NCBMOXAZELESFL-INIZCTEOSA-N 2 1 289.423 2.467 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000631181193 352004472 /nfs/dbraw/zinc/00/44/72/352004472.db2.gz NCBMOXAZELESFL-INIZCTEOSA-N 2 1 289.423 2.467 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(OC)cc2)C1 ZINC000072857782 363171476 /nfs/dbraw/zinc/17/14/76/363171476.db2.gz YMVZWKIRNKPEJE-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(OC)cc2)C1 ZINC000072857782 363171477 /nfs/dbraw/zinc/17/14/77/363171477.db2.gz YMVZWKIRNKPEJE-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(OC)cc2)C1 ZINC000072857782 363171478 /nfs/dbraw/zinc/17/14/78/363171478.db2.gz YMVZWKIRNKPEJE-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(OC)cc2)C1 ZINC000072857782 363171479 /nfs/dbraw/zinc/17/14/79/363171479.db2.gz YMVZWKIRNKPEJE-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](O)c1cccc(F)c1 ZINC000271542990 191202851 /nfs/dbraw/zinc/20/28/51/191202851.db2.gz UQEMWUVZPNDDNJ-YXAMBPQSSA-N 2 1 280.387 2.320 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](O)c1cccc(F)c1 ZINC000271542990 191202854 /nfs/dbraw/zinc/20/28/54/191202854.db2.gz UQEMWUVZPNDDNJ-YXAMBPQSSA-N 2 1 280.387 2.320 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)CCCC[NH3+])c1ccccc1 ZINC000292065484 198149832 /nfs/dbraw/zinc/14/98/32/198149832.db2.gz KMSMRSXOLUNHNX-ZBFHGGJFSA-N 2 1 291.439 2.313 20 0 CEADMP CCCCOCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000249907333 539963166 /nfs/dbraw/zinc/96/31/66/539963166.db2.gz ZBNRRITWLOFTLU-HUUCEWRRSA-N 2 1 254.418 2.267 20 0 CEADMP COC(=O)c1cccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000152508238 188024841 /nfs/dbraw/zinc/02/48/41/188024841.db2.gz WGRAOVGHHUYDKR-HNNXBMFYSA-N 2 1 290.407 2.247 20 0 CEADMP COC(=O)c1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000152508238 188024842 /nfs/dbraw/zinc/02/48/42/188024842.db2.gz WGRAOVGHHUYDKR-HNNXBMFYSA-N 2 1 290.407 2.247 20 0 CEADMP COC(=O)c1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000152508238 188024843 /nfs/dbraw/zinc/02/48/43/188024843.db2.gz WGRAOVGHHUYDKR-HNNXBMFYSA-N 2 1 290.407 2.247 20 0 CEADMP C[C@H](C[NH2+]Cc1cncc(F)c1)C[NH+]1CCCCC1 ZINC000494614613 290983968 /nfs/dbraw/zinc/98/39/68/290983968.db2.gz MRZJYIYOCULWHD-CYBMUJFWSA-N 2 1 265.376 2.432 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cccc(OC)c2OC)CC[C@H]1[NH3+] ZINC000251833937 539992382 /nfs/dbraw/zinc/99/23/82/539992382.db2.gz QEVAYRLWBYDWEE-GXTWGEPZSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc(OC)c2OC)CC[C@H]1[NH3+] ZINC000251833937 539992385 /nfs/dbraw/zinc/99/23/85/539992385.db2.gz QEVAYRLWBYDWEE-GXTWGEPZSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccc(Cl)cc1 ZINC000131775822 366087629 /nfs/dbraw/zinc/08/76/29/366087629.db2.gz KQKAARVKNSXMHI-NWDGAFQWSA-N 2 1 268.788 2.388 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1cccc(Cl)c1 ZINC000131765446 366087816 /nfs/dbraw/zinc/08/78/16/366087816.db2.gz JVHXXYPSIKTJSD-NEPJUHHUSA-N 2 1 268.788 2.388 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C(C)C ZINC000252413800 540002284 /nfs/dbraw/zinc/00/22/84/540002284.db2.gz FOWOKUFWWYVFFF-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C(C)C ZINC000252413800 540002287 /nfs/dbraw/zinc/00/22/87/540002287.db2.gz FOWOKUFWWYVFFF-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)C1CCCCC1 ZINC000494897238 291003970 /nfs/dbraw/zinc/00/39/70/291003970.db2.gz YBQLPAIYUAREBT-HUUCEWRRSA-N 2 1 295.471 2.144 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1)O[C@H](C)C2 ZINC000252725316 540007720 /nfs/dbraw/zinc/00/77/20/540007720.db2.gz ZXBYRZCHIHXPAQ-ZOWXZIJZSA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)O[C@H](C)C2 ZINC000252725316 540007722 /nfs/dbraw/zinc/00/77/22/540007722.db2.gz ZXBYRZCHIHXPAQ-ZOWXZIJZSA-N 2 1 290.407 2.188 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1F ZINC000252834719 540008745 /nfs/dbraw/zinc/00/87/45/540008745.db2.gz RXZYJGQNTSKPLH-UBHSHLNASA-N 2 1 278.371 2.394 20 0 CEADMP CC(C)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000337340562 366143325 /nfs/dbraw/zinc/14/33/25/366143325.db2.gz SZBRBUFKANQKAG-INIZCTEOSA-N 2 1 269.477 2.379 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495086715 291016859 /nfs/dbraw/zinc/01/68/59/291016859.db2.gz AVALEVCQXDRMDF-GJZGRUSLSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495086715 291016860 /nfs/dbraw/zinc/01/68/60/291016860.db2.gz AVALEVCQXDRMDF-GJZGRUSLSA-N 2 1 295.471 2.144 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C12CCC2 ZINC000451483352 283004664 /nfs/dbraw/zinc/00/46/64/283004664.db2.gz VJSGVFQWOGLIEH-QLFBSQMISA-N 2 1 266.429 2.408 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000337390032 366145918 /nfs/dbraw/zinc/14/59/18/366145918.db2.gz KHYJJXJGMYFNRL-VGWMRTNUSA-N 2 1 266.429 2.408 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000337390032 366145922 /nfs/dbraw/zinc/14/59/22/366145922.db2.gz KHYJJXJGMYFNRL-VGWMRTNUSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](CC)CC ZINC000356329757 370661716 /nfs/dbraw/zinc/66/17/16/370661716.db2.gz BAWFVNYEIABNHG-SOUVJXGZSA-N 2 1 283.460 2.048 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000666853963 540023686 /nfs/dbraw/zinc/02/36/86/540023686.db2.gz UZELIYAEFWAJST-KGLIPLIRSA-N 2 1 270.380 2.232 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000495459776 291039536 /nfs/dbraw/zinc/03/95/36/291039536.db2.gz UZXQPISHTKDUHW-MJBXVCDLSA-N 2 1 299.459 2.220 20 0 CEADMP CC[C@H]1CCC[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000569867865 299223558 /nfs/dbraw/zinc/22/35/58/299223558.db2.gz PWLYYOPCYDCMKN-GJZGRUSLSA-N 2 1 268.445 2.392 20 0 CEADMP Cn1cncc1CCC[N@@H+](CCCO)CC(C)(C)C ZINC000571773475 314105535 /nfs/dbraw/zinc/10/55/35/314105535.db2.gz CZKFNDBFWSIWIS-UHFFFAOYSA-N 2 1 267.417 2.083 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](CCCO)CC(C)(C)C ZINC000571773475 314105537 /nfs/dbraw/zinc/10/55/37/314105537.db2.gz CZKFNDBFWSIWIS-UHFFFAOYSA-N 2 1 267.417 2.083 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](CCCO)CC(C)(C)C ZINC000571773475 314105539 /nfs/dbraw/zinc/10/55/39/314105539.db2.gz CZKFNDBFWSIWIS-UHFFFAOYSA-N 2 1 267.417 2.083 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCc2ccccc2[C@H](C)C1 ZINC000404733033 540126860 /nfs/dbraw/zinc/12/68/60/540126860.db2.gz JULAFZLYQWUYDQ-NVXWUHKLSA-N 2 1 290.451 2.349 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000404733033 540126864 /nfs/dbraw/zinc/12/68/64/540126864.db2.gz JULAFZLYQWUYDQ-NVXWUHKLSA-N 2 1 290.451 2.349 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000404733033 540126868 /nfs/dbraw/zinc/12/68/68/540126868.db2.gz JULAFZLYQWUYDQ-NVXWUHKLSA-N 2 1 290.451 2.349 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)ncn3C)CC[N@@H+]1C ZINC000271815428 191344011 /nfs/dbraw/zinc/34/40/11/191344011.db2.gz MQNKQKSMIOMALY-UKRRQHHQSA-N 2 1 286.423 2.488 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)ncn3C)CC[N@H+]1C ZINC000271815428 191344014 /nfs/dbraw/zinc/34/40/14/191344014.db2.gz MQNKQKSMIOMALY-UKRRQHHQSA-N 2 1 286.423 2.488 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)ncn3C)CC[NH+]1C ZINC000271815428 191344015 /nfs/dbraw/zinc/34/40/15/191344015.db2.gz MQNKQKSMIOMALY-UKRRQHHQSA-N 2 1 286.423 2.488 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)ncn3C)CC[NH+]1C ZINC000271815428 191344018 /nfs/dbraw/zinc/34/40/18/191344018.db2.gz MQNKQKSMIOMALY-UKRRQHHQSA-N 2 1 286.423 2.488 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000519758552 540128835 /nfs/dbraw/zinc/12/88/35/540128835.db2.gz KVENMSDDDNGKID-XIRDDKMYSA-N 2 1 276.424 2.382 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000519758552 540128839 /nfs/dbraw/zinc/12/88/39/540128839.db2.gz KVENMSDDDNGKID-XIRDDKMYSA-N 2 1 276.424 2.382 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000519758552 540128844 /nfs/dbraw/zinc/12/88/44/540128844.db2.gz KVENMSDDDNGKID-XIRDDKMYSA-N 2 1 276.424 2.382 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000519758552 540128847 /nfs/dbraw/zinc/12/88/47/540128847.db2.gz KVENMSDDDNGKID-XIRDDKMYSA-N 2 1 276.424 2.382 20 0 CEADMP C[N@H+]1CC=C(C[NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC000271846955 191364613 /nfs/dbraw/zinc/36/46/13/191364613.db2.gz GWWLDZYHRJAJCS-UHFFFAOYSA-N 2 1 270.298 2.455 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC000271846955 191364616 /nfs/dbraw/zinc/36/46/16/191364616.db2.gz GWWLDZYHRJAJCS-UHFFFAOYSA-N 2 1 270.298 2.455 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCc2ccccc2C1 ZINC000380830072 540135881 /nfs/dbraw/zinc/13/58/81/540135881.db2.gz SJUNQDKSAODMBH-KRWDZBQOSA-N 2 1 276.424 2.136 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCc2ccccc2C1 ZINC000380830072 540135885 /nfs/dbraw/zinc/13/58/85/540135885.db2.gz SJUNQDKSAODMBH-KRWDZBQOSA-N 2 1 276.424 2.136 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCc2ccccc2C1 ZINC000380830072 540135891 /nfs/dbraw/zinc/13/58/91/540135891.db2.gz SJUNQDKSAODMBH-KRWDZBQOSA-N 2 1 276.424 2.136 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCc2ccccc2C1 ZINC000380830072 540135895 /nfs/dbraw/zinc/13/58/95/540135895.db2.gz SJUNQDKSAODMBH-KRWDZBQOSA-N 2 1 276.424 2.136 20 0 CEADMP CC1(C)C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCCO1 ZINC000381104643 540138431 /nfs/dbraw/zinc/13/84/31/540138431.db2.gz CSQGEHVEHGWYKQ-UHFFFAOYSA-N 2 1 274.408 2.333 20 0 CEADMP Cc1nc2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2s1 ZINC000683161695 540177326 /nfs/dbraw/zinc/17/73/26/540177326.db2.gz FFCOBWKDUCNRLR-CHWSQXEVSA-N 2 1 273.405 2.256 20 0 CEADMP COc1cccc(C[N@H+](C)CCC[NH3+])c1OC(C)C ZINC000570093990 299237543 /nfs/dbraw/zinc/23/75/43/299237543.db2.gz WFBAYBMMQBOQRC-UHFFFAOYSA-N 2 1 266.385 2.263 20 0 CEADMP COc1cccc(C[N@@H+](C)CCC[NH3+])c1OC(C)C ZINC000570093990 299237544 /nfs/dbraw/zinc/23/75/44/299237544.db2.gz WFBAYBMMQBOQRC-UHFFFAOYSA-N 2 1 266.385 2.263 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000273650509 192246408 /nfs/dbraw/zinc/24/64/08/192246408.db2.gz WNAQIUNOCSUTTB-KRWDZBQOSA-N 2 1 299.418 2.231 20 0 CEADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CCCCC1 ZINC000386065201 540246552 /nfs/dbraw/zinc/24/65/52/540246552.db2.gz FEJMMTFLSXVQLR-HNNXBMFYSA-N 2 1 256.434 2.342 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1CCCCC1 ZINC000386065201 540246555 /nfs/dbraw/zinc/24/65/55/540246555.db2.gz FEJMMTFLSXVQLR-HNNXBMFYSA-N 2 1 256.434 2.342 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1CCCCC1 ZINC000386065201 540246558 /nfs/dbraw/zinc/24/65/58/540246558.db2.gz FEJMMTFLSXVQLR-HNNXBMFYSA-N 2 1 256.434 2.342 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338278840 366269289 /nfs/dbraw/zinc/26/92/89/366269289.db2.gz OSLAXOOTYLIRJR-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338278840 366269292 /nfs/dbraw/zinc/26/92/92/366269292.db2.gz OSLAXOOTYLIRJR-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000338292735 366277729 /nfs/dbraw/zinc/27/77/29/366277729.db2.gz QNSVVTJNBWDHOA-CHWSQXEVSA-N 2 1 281.400 2.149 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Br)cn1 ZINC000578013394 314436618 /nfs/dbraw/zinc/43/66/18/314436618.db2.gz OVWFISWVMUIFQG-IUCAKERBSA-N 2 1 272.190 2.060 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1F ZINC000134409090 366316791 /nfs/dbraw/zinc/31/67/91/366316791.db2.gz XKCRWQXSGAGXPX-RISCZKNCSA-N 2 1 266.360 2.264 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1F ZINC000134409090 366316798 /nfs/dbraw/zinc/31/67/98/366316798.db2.gz XKCRWQXSGAGXPX-RISCZKNCSA-N 2 1 266.360 2.264 20 0 CEADMP COCCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000134682359 366351619 /nfs/dbraw/zinc/35/16/19/366351619.db2.gz CCLCBQZOSQRVJJ-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP COCCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000134682359 366351625 /nfs/dbraw/zinc/35/16/25/366351625.db2.gz CCLCBQZOSQRVJJ-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP CCC[N@@H+](CCN(CC)CC)CC1CC[NH2+]CC1 ZINC000094025804 283235117 /nfs/dbraw/zinc/23/51/17/283235117.db2.gz OODGWOMBWZWSTN-UHFFFAOYSA-N 2 1 255.450 2.040 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccc(C)cc1 ZINC000577699835 366382770 /nfs/dbraw/zinc/38/27/70/366382770.db2.gz PWYNKNUOCAZERQ-GOEBONIOSA-N 2 1 264.413 2.300 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccc(C)cc1 ZINC000577699835 366382772 /nfs/dbraw/zinc/38/27/72/366382772.db2.gz PWYNKNUOCAZERQ-GOEBONIOSA-N 2 1 264.413 2.300 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000577699835 366382777 /nfs/dbraw/zinc/38/27/77/366382777.db2.gz PWYNKNUOCAZERQ-GOEBONIOSA-N 2 1 264.413 2.300 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000577699835 366382779 /nfs/dbraw/zinc/38/27/79/366382779.db2.gz PWYNKNUOCAZERQ-GOEBONIOSA-N 2 1 264.413 2.300 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000394337550 538871666 /nfs/dbraw/zinc/87/16/66/538871666.db2.gz ZIPVYEYVFWAGBJ-XHSDSOJGSA-N 2 1 295.471 2.083 20 0 CEADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225888565 538891660 /nfs/dbraw/zinc/89/16/60/538891660.db2.gz PEZVXYYPXVKWOP-KFWWJZLASA-N 2 1 252.402 2.020 20 0 CEADMP CCC[N@H+](C[C@H]1CCCCO1)C[C@H]1CCC[NH2+]C1 ZINC000261581310 283289363 /nfs/dbraw/zinc/28/93/63/283289363.db2.gz QOJBKVKGDGHIJG-LSDHHAIUSA-N 2 1 254.418 2.267 20 0 CEADMP CC[NH+](CC)C[C@H](C)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000352289289 540298466 /nfs/dbraw/zinc/29/84/66/540298466.db2.gz HTWOGFZLDWINIJ-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ncc[nH]1 ZINC000353433329 540314210 /nfs/dbraw/zinc/31/42/10/540314210.db2.gz FVZWUMCHVSNPEK-LBPRGKRZSA-N 2 1 258.369 2.322 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccccc1 ZINC000388315785 540323944 /nfs/dbraw/zinc/32/39/44/540323944.db2.gz HTKHMLDJTJDOAX-HOTGVXAUSA-N 2 1 264.413 2.428 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000388315785 540323947 /nfs/dbraw/zinc/32/39/47/540323947.db2.gz HTKHMLDJTJDOAX-HOTGVXAUSA-N 2 1 264.413 2.428 20 0 CEADMP CC[C@H](C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)[NH+](CC)CC ZINC000452575541 283323146 /nfs/dbraw/zinc/32/31/46/283323146.db2.gz YBYTWZNUMBUAKG-GDBMZVCRSA-N 2 1 295.471 2.050 20 0 CEADMP CCc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc(C)n1 ZINC000158374699 540385202 /nfs/dbraw/zinc/38/52/02/540385202.db2.gz JJVPGQKUKPMWSK-UONOGXRCSA-N 2 1 260.385 2.386 20 0 CEADMP CCc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(C)[nH+]1 ZINC000158374699 540385204 /nfs/dbraw/zinc/38/52/04/540385204.db2.gz JJVPGQKUKPMWSK-UONOGXRCSA-N 2 1 260.385 2.386 20 0 CEADMP CCc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc(C)[nH+]1 ZINC000158374699 540385205 /nfs/dbraw/zinc/38/52/05/540385205.db2.gz JJVPGQKUKPMWSK-UONOGXRCSA-N 2 1 260.385 2.386 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1cccc(Br)c1)C1CC1 ZINC000414886785 236539181 /nfs/dbraw/zinc/53/91/81/236539181.db2.gz CYGIXOIWPMLJNQ-LBPRGKRZSA-N 2 1 269.186 2.276 20 0 CEADMP COC(=O)C(C)(C)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000338549179 366406983 /nfs/dbraw/zinc/40/69/83/366406983.db2.gz NHEOXQODHHDNHN-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@H]([NH2+]CCc1ccnn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338570896 366418392 /nfs/dbraw/zinc/41/83/92/366418392.db2.gz JIQPHECNMSDYJK-LSDHHAIUSA-N 2 1 290.455 2.205 20 0 CEADMP CCn1nccc1CC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000338544705 366404311 /nfs/dbraw/zinc/40/43/11/366404311.db2.gz FUGRJNXGSTUSMW-HNNXBMFYSA-N 2 1 278.444 2.109 20 0 CEADMP CCn1nccc1CC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000338544705 366404314 /nfs/dbraw/zinc/40/43/14/366404314.db2.gz FUGRJNXGSTUSMW-HNNXBMFYSA-N 2 1 278.444 2.109 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCOc1ccc(F)cc1 ZINC000135353196 366431263 /nfs/dbraw/zinc/43/12/63/366431263.db2.gz RXNYASOAUBWSTC-CHWSQXEVSA-N 2 1 266.360 2.264 20 0 CEADMP C[N@@H+](CCC[NH2+]CC1(C)COC1)Cc1ccccc1 ZINC000079472584 363605938 /nfs/dbraw/zinc/60/59/38/363605938.db2.gz CBFYIDUVMACZRD-UHFFFAOYSA-N 2 1 262.397 2.135 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000578080251 366440929 /nfs/dbraw/zinc/44/09/29/366440929.db2.gz RECDWXMUYCPNGR-IAGOWNOFSA-N 2 1 296.430 2.295 20 0 CEADMP c1ccc2c(NCC[N@@H+]3CC=CCC3)cc[nH+]c2c1 ZINC000338714356 366485467 /nfs/dbraw/zinc/48/54/67/366485467.db2.gz YKBGZZWRYLWWCX-UHFFFAOYSA-N 2 1 253.349 2.331 20 0 CEADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1nccs1 ZINC000080279995 363654143 /nfs/dbraw/zinc/65/41/43/363654143.db2.gz BNSKYEBFUFMMDD-NSHDSACASA-N 2 1 250.371 2.389 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000671730450 540494629 /nfs/dbraw/zinc/49/46/29/540494629.db2.gz KANWZIFPIGUCAK-ILXRZTDVSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000671730450 540494631 /nfs/dbraw/zinc/49/46/31/540494631.db2.gz KANWZIFPIGUCAK-ILXRZTDVSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671756387 540503241 /nfs/dbraw/zinc/50/32/41/540503241.db2.gz SIZQSKKQTVOPQO-CMPLNLGQSA-N 2 1 298.346 2.396 20 0 CEADMP CCC[C@H]([NH3+])C(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000236957747 370665639 /nfs/dbraw/zinc/66/56/39/370665639.db2.gz IHEFRWBTQHWXED-AWEZNQCLSA-N 2 1 275.396 2.478 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H]2C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000668208456 540587556 /nfs/dbraw/zinc/58/75/56/540587556.db2.gz AHDQVLLWSORIDX-OAHLLOKOSA-N 2 1 254.337 2.252 20 0 CEADMP CCC[C@H]([NH3+])C(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000236957747 370665647 /nfs/dbraw/zinc/66/56/47/370665647.db2.gz IHEFRWBTQHWXED-AWEZNQCLSA-N 2 1 275.396 2.478 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000672619010 540629362 /nfs/dbraw/zinc/62/93/62/540629362.db2.gz HKLQHEHVSXNIMQ-ZDUSSCGKSA-N 2 1 282.815 2.100 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@H](C)Cc1cnccn1)[NH+](C)C ZINC000453084224 283468041 /nfs/dbraw/zinc/46/80/41/283468041.db2.gz OATMVQYMANIONP-CJNGLKHVSA-N 2 1 278.444 2.364 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@@H]1CCCCC[NH2+]1)C1CCCCC1 ZINC000080997102 363695078 /nfs/dbraw/zinc/69/50/78/363695078.db2.gz OEKMDAPUPAKRMV-INIZCTEOSA-N 2 1 295.471 2.289 20 0 CEADMP Cc1cccc([C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000297833389 200289020 /nfs/dbraw/zinc/28/90/20/200289020.db2.gz ZWBKZBXBQQWRDP-KRWDZBQOSA-N 2 1 274.408 2.245 20 0 CEADMP CC(C)COC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000579254929 366619761 /nfs/dbraw/zinc/61/97/61/366619761.db2.gz ZWRHEWDQWDJGKP-UHFFFAOYSA-N 2 1 279.428 2.490 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000151452347 366645847 /nfs/dbraw/zinc/64/58/47/366645847.db2.gz IVWJMVGRNLFUKC-YCPHGPKFSA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000151452347 366645850 /nfs/dbraw/zinc/64/58/50/366645850.db2.gz IVWJMVGRNLFUKC-YCPHGPKFSA-N 2 1 299.422 2.086 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cccc(N2CCOC2=O)c1 ZINC000151904177 366674203 /nfs/dbraw/zinc/67/42/03/366674203.db2.gz REEMGSBTJZDLNW-ZDUSSCGKSA-N 2 1 291.395 2.246 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc([S@@](C)=O)cc1 ZINC000151939971 366677003 /nfs/dbraw/zinc/67/70/03/366677003.db2.gz BJTYNQPKPDFBBU-XIKOKIGWSA-N 2 1 268.426 2.026 20 0 CEADMP Cn1cc([C@H](NC[C@H]2CCC[N@@H+](C)C2)c2ccccc2)cn1 ZINC000579550634 366659901 /nfs/dbraw/zinc/65/99/01/366659901.db2.gz DFEVEILMYBEVDM-CRAIPNDOSA-N 2 1 298.434 2.441 20 0 CEADMP CCc1nc(NCC[N@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000341822003 216118137 /nfs/dbraw/zinc/11/81/37/216118137.db2.gz KLPMTWPODHDRPT-UHFFFAOYSA-N 2 1 284.407 2.313 20 0 CEADMP CCc1nc(NCC[N@@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000341822003 216118139 /nfs/dbraw/zinc/11/81/39/216118139.db2.gz KLPMTWPODHDRPT-UHFFFAOYSA-N 2 1 284.407 2.313 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCCCC1 ZINC000305169099 283561731 /nfs/dbraw/zinc/56/17/31/283561731.db2.gz ZHXBKEJGCHFGRE-HUUCEWRRSA-N 2 1 256.434 2.248 20 0 CEADMP CCNC(=O)C[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000342046848 216200243 /nfs/dbraw/zinc/20/02/43/216200243.db2.gz KUMWHYKMZLSDLN-MRXNPFEDSA-N 2 1 295.471 2.243 20 0 CEADMP CCc1noc(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342101461 216217175 /nfs/dbraw/zinc/21/71/75/216217175.db2.gz KVYQLBWDHWOLHG-UBHSHLNASA-N 2 1 263.385 2.105 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000179262925 189181719 /nfs/dbraw/zinc/18/17/19/189181719.db2.gz AFOXKQUYAUPVNN-QGZVFWFLSA-N 2 1 287.407 2.117 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000179262925 189181720 /nfs/dbraw/zinc/18/17/20/189181720.db2.gz AFOXKQUYAUPVNN-QGZVFWFLSA-N 2 1 287.407 2.117 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc2nccn21 ZINC000179423497 189193165 /nfs/dbraw/zinc/19/31/65/189193165.db2.gz RYXCHQCKAHFMCI-ZDUSSCGKSA-N 2 1 283.379 2.265 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000192088509 296025844 /nfs/dbraw/zinc/02/58/44/296025844.db2.gz RCFWKUNTOUGLOQ-WDMOLILDSA-N 2 1 297.830 2.042 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCC1 ZINC000675880589 540878509 /nfs/dbraw/zinc/87/85/09/540878509.db2.gz GAZOCUJYTGHWMM-CZUORRHYSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCC[C@H](CO)C2)s1 ZINC000342250631 216278323 /nfs/dbraw/zinc/27/83/23/216278323.db2.gz PVEQYPBCRNQQAV-OLZOCXBDSA-N 2 1 297.468 2.093 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CC[C@@H](F)C2)s1 ZINC000342290218 216294582 /nfs/dbraw/zinc/29/45/82/216294582.db2.gz WZKHWCZZWGHHIT-ZJUUUORDSA-N 2 1 257.378 2.185 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000579791281 366700942 /nfs/dbraw/zinc/70/09/42/366700942.db2.gz AUYHBFJFJJJRAH-MSOLQXFVSA-N 2 1 290.451 2.315 20 0 CEADMP CCC[N@@H+](Cc1ccc(F)cc1)C[C@](C)(O)C[NH2+]C ZINC000579961042 366730550 /nfs/dbraw/zinc/73/05/50/366730550.db2.gz ZQTPJJQVAHUVTD-OAHLLOKOSA-N 2 1 268.376 2.008 20 0 CEADMP C[C@H](c1ccccn1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000579968647 366732193 /nfs/dbraw/zinc/73/21/93/366732193.db2.gz NBHMETJBKGFNKX-CYBMUJFWSA-N 2 1 258.369 2.441 20 0 CEADMP C[C@H](c1ccccn1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000579968647 366732197 /nfs/dbraw/zinc/73/21/97/366732197.db2.gz NBHMETJBKGFNKX-CYBMUJFWSA-N 2 1 258.369 2.441 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000571697268 299324177 /nfs/dbraw/zinc/32/41/77/299324177.db2.gz FVGSPMMXGVDHHA-NXHRZFHOSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000571697268 299324181 /nfs/dbraw/zinc/32/41/81/299324181.db2.gz FVGSPMMXGVDHHA-NXHRZFHOSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000571697268 299324184 /nfs/dbraw/zinc/32/41/84/299324184.db2.gz FVGSPMMXGVDHHA-NXHRZFHOSA-N 2 1 290.451 2.252 20 0 CEADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000237026015 370681116 /nfs/dbraw/zinc/68/11/16/370681116.db2.gz KLLJFXQTJNEJEC-ZNMIVQPWSA-N 2 1 283.460 2.131 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000154273076 366765259 /nfs/dbraw/zinc/76/52/59/366765259.db2.gz QFCKFXVWBCDRRG-OALUTQOASA-N 2 1 298.430 2.483 20 0 CEADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)nn1C ZINC000571762869 299327037 /nfs/dbraw/zinc/32/70/37/299327037.db2.gz NQVVFIYYTXBJBL-LBPRGKRZSA-N 2 1 258.369 2.038 20 0 CEADMP CCC[C@H]1CN(CC[C@H]2CCCC[N@H+]2C)CCO1 ZINC000340224994 366808999 /nfs/dbraw/zinc/80/89/99/366808999.db2.gz HEKPDQPLNWWTNT-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP C[C@@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000155962656 366825353 /nfs/dbraw/zinc/82/53/53/366825353.db2.gz IKLHWGJGNNVYNH-FXUDXRNXSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H](CN[C@@H]1CC[NH+](C)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000155962656 366825358 /nfs/dbraw/zinc/82/53/58/366825358.db2.gz IKLHWGJGNNVYNH-FXUDXRNXSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H](CN[C@@H]1CC[NH+](C)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000155962656 366825365 /nfs/dbraw/zinc/82/53/65/366825365.db2.gz IKLHWGJGNNVYNH-FXUDXRNXSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNc1cc[nH+]cc1C(N)=O ZINC000302145572 201364583 /nfs/dbraw/zinc/36/45/83/201364583.db2.gz JBAZMKZHXPLOOW-CYBMUJFWSA-N 2 1 290.411 2.103 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CNc1cc[nH+]cc1C(N)=O ZINC000302145572 201364584 /nfs/dbraw/zinc/36/45/84/201364584.db2.gz JBAZMKZHXPLOOW-CYBMUJFWSA-N 2 1 290.411 2.103 20 0 CEADMP CC(C)n1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000085167800 363832273 /nfs/dbraw/zinc/83/22/73/363832273.db2.gz XMHZQHITHWKJQM-CYBMUJFWSA-N 2 1 250.390 2.025 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCCO)CC(C)(C)C ZINC000089427668 363965249 /nfs/dbraw/zinc/96/52/49/363965249.db2.gz FZIQZCZSGKZNEU-CQSZACIVSA-N 2 1 256.434 2.201 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCCO)CC(C)(C)C ZINC000089427668 363965250 /nfs/dbraw/zinc/96/52/50/363965250.db2.gz FZIQZCZSGKZNEU-CQSZACIVSA-N 2 1 256.434 2.201 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCCO)CC(C)(C)C ZINC000089427668 363965251 /nfs/dbraw/zinc/96/52/51/363965251.db2.gz FZIQZCZSGKZNEU-CQSZACIVSA-N 2 1 256.434 2.201 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000089458038 363969500 /nfs/dbraw/zinc/96/95/00/363969500.db2.gz UFAKDVXLZDMKDX-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP Cc1cccnc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093453281 364183701 /nfs/dbraw/zinc/18/37/01/364183701.db2.gz PAXKMNMIZAEROC-SOUVJXGZSA-N 2 1 259.397 2.400 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC1CC[NH2+]CC1 ZINC000237496492 370726542 /nfs/dbraw/zinc/72/65/42/370726542.db2.gz IISAAXHEXPWENL-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC[NH+]1CCCC1 ZINC000093496749 364194347 /nfs/dbraw/zinc/19/43/47/364194347.db2.gz GSPXPICKUMCXCW-JKSUJKDBSA-N 3 1 267.461 2.373 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)CC[N@@H+]1C ZINC000093644837 364207169 /nfs/dbraw/zinc/20/71/69/364207169.db2.gz WVAWWXBXGHANPJ-PBHICJAKSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)CC[N@H+]1C ZINC000093644837 364207171 /nfs/dbraw/zinc/20/71/71/364207171.db2.gz WVAWWXBXGHANPJ-PBHICJAKSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cncn3)cc2)CC[NH+]1C ZINC000093644837 364207173 /nfs/dbraw/zinc/20/71/73/364207173.db2.gz WVAWWXBXGHANPJ-PBHICJAKSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cncn3)cc2)CC[NH+]1C ZINC000093644837 364207175 /nfs/dbraw/zinc/20/71/75/364207175.db2.gz WVAWWXBXGHANPJ-PBHICJAKSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)CC[C@@H]1[NH3+] ZINC000094339033 364266438 /nfs/dbraw/zinc/26/64/38/364266438.db2.gz KYLDJIJPXZJZJC-DOMZBBRYSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)CC[C@@H]1[NH3+] ZINC000094339033 364266441 /nfs/dbraw/zinc/26/64/41/364266441.db2.gz KYLDJIJPXZJZJC-DOMZBBRYSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000094341518 364268553 /nfs/dbraw/zinc/26/85/53/364268553.db2.gz NFKWZJDQBVMCPS-YPMHNXCESA-N 2 1 295.814 2.338 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000094341625 364268646 /nfs/dbraw/zinc/26/86/46/364268646.db2.gz JJYGBHGKIADEMR-HUUCEWRRSA-N 2 1 262.397 2.351 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCOc3cccc(F)c3C2)CC[NH2+]1 ZINC000334817465 364272454 /nfs/dbraw/zinc/27/24/54/364272454.db2.gz FATYVTDJEGWDRF-OLZOCXBDSA-N 2 1 278.371 2.408 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000334822856 364273653 /nfs/dbraw/zinc/27/36/53/364273653.db2.gz YAGBFPYATKNLMC-DZGCQCFKSA-N 2 1 266.429 2.456 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)cc2)C1 ZINC000093770557 364225184 /nfs/dbraw/zinc/22/51/84/364225184.db2.gz YXMDEZBZVXDRFF-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)cc2)C1 ZINC000093770557 364225185 /nfs/dbraw/zinc/22/51/85/364225185.db2.gz YXMDEZBZVXDRFF-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000093770557 364225186 /nfs/dbraw/zinc/22/51/86/364225186.db2.gz YXMDEZBZVXDRFF-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000093770557 364225187 /nfs/dbraw/zinc/22/51/87/364225187.db2.gz YXMDEZBZVXDRFF-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP Clc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000335029922 364375079 /nfs/dbraw/zinc/37/50/79/364375079.db2.gz LHXNJMJJHFYVFV-DZGCQCFKSA-N 2 1 280.799 2.295 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000581951719 366841588 /nfs/dbraw/zinc/84/15/88/366841588.db2.gz LFCVLNULNGOREI-SJORKVTESA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000581951719 366841593 /nfs/dbraw/zinc/84/15/93/366841593.db2.gz LFCVLNULNGOREI-SJORKVTESA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000581951719 366841597 /nfs/dbraw/zinc/84/15/97/366841597.db2.gz LFCVLNULNGOREI-SJORKVTESA-N 2 1 294.414 2.145 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+]CC1([NH3+])CCCCCC1 ZINC000335058828 364414109 /nfs/dbraw/zinc/41/41/09/364414109.db2.gz KTMUMAQNFGRVNS-CQSZACIVSA-N 2 1 276.428 2.439 20 0 CEADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C(C)(C)C)n1 ZINC000158136397 366852784 /nfs/dbraw/zinc/85/27/84/366852784.db2.gz MWWHCBNOWPUVJI-LSDHHAIUSA-N 2 1 290.455 2.434 20 0 CEADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C(C)(C)C)n1 ZINC000158136397 366852791 /nfs/dbraw/zinc/85/27/91/366852791.db2.gz MWWHCBNOWPUVJI-LSDHHAIUSA-N 2 1 290.455 2.434 20 0 CEADMP Cn1cccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000335144479 364537173 /nfs/dbraw/zinc/53/71/73/364537173.db2.gz GVQWWBZXMCDPNN-OAHLLOKOSA-N 2 1 261.413 2.189 20 0 CEADMP CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340361066 366861710 /nfs/dbraw/zinc/86/17/10/366861710.db2.gz YZGNKHUBSAPZKE-OWCLPIDISA-N 2 1 262.397 2.182 20 0 CEADMP CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340361066 366861718 /nfs/dbraw/zinc/86/17/18/366861718.db2.gz YZGNKHUBSAPZKE-OWCLPIDISA-N 2 1 262.397 2.182 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)CC1 ZINC000335187810 364597852 /nfs/dbraw/zinc/59/78/52/364597852.db2.gz VUUSWLFUGIEFMK-HNNXBMFYSA-N 2 1 272.396 2.479 20 0 CEADMP Cc1ncsc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000111671146 364752045 /nfs/dbraw/zinc/75/20/45/364752045.db2.gz NGIVKOYALVAZHR-UHFFFAOYSA-N 2 1 253.415 2.273 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000113196056 364875209 /nfs/dbraw/zinc/87/52/09/364875209.db2.gz LWUVMQUBNCUWHR-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000113196056 364875216 /nfs/dbraw/zinc/87/52/16/364875216.db2.gz LWUVMQUBNCUWHR-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000113196056 364875222 /nfs/dbraw/zinc/87/52/22/364875222.db2.gz LWUVMQUBNCUWHR-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP COC1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000680333110 541393857 /nfs/dbraw/zinc/39/38/57/541393857.db2.gz VRZQLXYPLMLRSN-BDVYOWHSSA-N 2 1 296.455 2.177 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000113516375 364904040 /nfs/dbraw/zinc/90/40/40/364904040.db2.gz PPAFOIJPBVZTQA-ZDUSSCGKSA-N 2 1 266.360 2.088 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000113516375 364904045 /nfs/dbraw/zinc/90/40/45/364904045.db2.gz PPAFOIJPBVZTQA-ZDUSSCGKSA-N 2 1 266.360 2.088 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000335804982 365006848 /nfs/dbraw/zinc/00/68/48/365006848.db2.gz CWUISQUVGYUHTB-CABCVRRESA-N 2 1 284.469 2.115 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000356792595 370795736 /nfs/dbraw/zinc/79/57/36/370795736.db2.gz UQWJDDBQWVZYFM-LSDHHAIUSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000356792595 370795745 /nfs/dbraw/zinc/79/57/45/370795745.db2.gz UQWJDDBQWVZYFM-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C1 ZINC000582221310 366879835 /nfs/dbraw/zinc/87/98/35/366879835.db2.gz PBEDHVMZTBJCPN-BFYDXBDKSA-N 2 1 290.455 2.376 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000120115532 365374214 /nfs/dbraw/zinc/37/42/14/365374214.db2.gz LIEBZZSGLASDCF-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000120115532 365374219 /nfs/dbraw/zinc/37/42/19/365374219.db2.gz LIEBZZSGLASDCF-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000120115532 365374220 /nfs/dbraw/zinc/37/42/20/365374220.db2.gz LIEBZZSGLASDCF-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000120127480 365376754 /nfs/dbraw/zinc/37/67/54/365376754.db2.gz IRBRLUQQGIRLGL-NVXWUHKLSA-N 2 1 295.471 2.147 20 0 CEADMP CC[C@@H](Cn1cncn1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000340470993 366897322 /nfs/dbraw/zinc/89/73/22/366897322.db2.gz APERWKBUYUQJMI-CVEARBPZSA-N 2 1 293.459 2.158 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CC2)[C@H](C)C1 ZINC000340487010 366904349 /nfs/dbraw/zinc/90/43/49/366904349.db2.gz JYYMNCSHXXRWBA-HYVNUMGLSA-N 2 1 298.471 2.138 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000340514085 366914259 /nfs/dbraw/zinc/91/42/59/366914259.db2.gz GRIXNNLMDYGNOJ-RRFJBIMHSA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000582733627 366951990 /nfs/dbraw/zinc/95/19/90/366951990.db2.gz JHRJWIJEUNGLSE-KKUMJFAQSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000582733627 366951994 /nfs/dbraw/zinc/95/19/94/366951994.db2.gz JHRJWIJEUNGLSE-KKUMJFAQSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000582733627 366951998 /nfs/dbraw/zinc/95/19/98/366951998.db2.gz JHRJWIJEUNGLSE-KKUMJFAQSA-N 2 1 270.461 2.446 20 0 CEADMP CC/C=C\CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000681024166 541490122 /nfs/dbraw/zinc/49/01/22/541490122.db2.gz FXIVVQXVKFBNEP-YIEVGGLXSA-N 2 1 265.445 2.055 20 0 CEADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000582912736 366976584 /nfs/dbraw/zinc/97/65/84/366976584.db2.gz GUQUFDFCOIDPCH-KFWWJZLASA-N 2 1 256.434 2.248 20 0 CEADMP CCCN(CC[NH+]1CCCC1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000583390285 367041951 /nfs/dbraw/zinc/04/19/51/367041951.db2.gz LLPAXZKYTSLQMI-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000583928607 367115679 /nfs/dbraw/zinc/11/56/79/367115679.db2.gz KJRMQBSDIMRJFD-HUUCEWRRSA-N 2 1 285.395 2.017 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000583822887 367103608 /nfs/dbraw/zinc/10/36/08/367103608.db2.gz AWKYTDGUDCNNSL-OWCLPIDISA-N 2 1 267.461 2.356 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Oc2cccnc2)C1 ZINC000245627513 370851857 /nfs/dbraw/zinc/85/18/57/370851857.db2.gz PETQTWYPKMTZLL-GDBMZVCRSA-N 2 1 275.396 2.019 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Oc2cccnc2)C1 ZINC000245627513 370851860 /nfs/dbraw/zinc/85/18/60/370851860.db2.gz PETQTWYPKMTZLL-GDBMZVCRSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000245627513 370851864 /nfs/dbraw/zinc/85/18/64/370851864.db2.gz PETQTWYPKMTZLL-GDBMZVCRSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000245627513 370851868 /nfs/dbraw/zinc/85/18/68/370851868.db2.gz PETQTWYPKMTZLL-GDBMZVCRSA-N 2 1 275.396 2.019 20 0 CEADMP CC[C@@H](C)Nc1ncnc2c1cnn2-c1cc[nH+]cc1 ZINC000162894206 367200949 /nfs/dbraw/zinc/20/09/49/367200949.db2.gz NDESWPMEZTUHQB-SNVBAGLBSA-N 2 1 268.324 2.421 20 0 CEADMP CC[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC000245588198 370844384 /nfs/dbraw/zinc/84/43/84/370844384.db2.gz FJIBSSDTNLRIIX-UKRRQHHQSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC000245588198 370844387 /nfs/dbraw/zinc/84/43/87/370844387.db2.gz FJIBSSDTNLRIIX-UKRRQHHQSA-N 2 1 265.401 2.471 20 0 CEADMP CCc1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1 ZINC000341195215 367215838 /nfs/dbraw/zinc/21/58/38/367215838.db2.gz SGYPUTWURBSLMG-UHFFFAOYSA-N 2 1 267.442 2.479 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1C[NH3+] ZINC000163796038 367265047 /nfs/dbraw/zinc/26/50/47/367265047.db2.gz WHZFIMAUVYJXIP-HOCLYGCPSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000163241813 367225779 /nfs/dbraw/zinc/22/57/79/367225779.db2.gz UBFFINZFZRJLAH-CHWSQXEVSA-N 2 1 250.411 2.448 20 0 CEADMP C[C@]1(CN2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000261695160 291380246 /nfs/dbraw/zinc/38/02/46/291380246.db2.gz BSJDWXRSRBHLQG-SFHVURJKSA-N 2 1 287.451 2.194 20 0 CEADMP C[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000164574290 367290491 /nfs/dbraw/zinc/29/04/91/367290491.db2.gz PMPVCCNLYGHXNS-QWHCGFSZSA-N 2 1 275.396 2.204 20 0 CEADMP C[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000164566796 367290712 /nfs/dbraw/zinc/29/07/12/367290712.db2.gz OVUPPUOECPPSDM-CHWSQXEVSA-N 2 1 275.396 2.347 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cnccn1 ZINC000164636349 367292605 /nfs/dbraw/zinc/29/26/05/367292605.db2.gz IRYZIBHQJKARGU-LBPRGKRZSA-N 2 1 259.357 2.113 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000357987991 370861646 /nfs/dbraw/zinc/86/16/46/370861646.db2.gz FAQWINIZWQFIQP-WFASDCNBSA-N 2 1 266.360 2.134 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000631757427 367525515 /nfs/dbraw/zinc/52/55/15/367525515.db2.gz XTKNEWVDDRWNMT-VXGBXAGGSA-N 2 1 262.319 2.401 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c2c(c1)COCC2 ZINC000631827640 367566290 /nfs/dbraw/zinc/56/62/90/367566290.db2.gz SEZPYBXRGMIFEL-SFHVURJKSA-N 2 1 286.419 2.335 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342813163 367551073 /nfs/dbraw/zinc/55/10/73/367551073.db2.gz GZSADNLLHUCWMT-DOMZBBRYSA-N 2 1 272.396 2.035 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@H]1C[NH3+] ZINC000631840697 367581419 /nfs/dbraw/zinc/58/14/19/367581419.db2.gz DTMNUPMAEDPCBM-ZYHUDNBSSA-N 2 1 270.323 2.315 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887548 367608605 /nfs/dbraw/zinc/60/86/05/367608605.db2.gz ODXJJTPANSYTNJ-SWLSCSKDSA-N 2 1 263.385 2.119 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887548 367608610 /nfs/dbraw/zinc/60/86/10/367608610.db2.gz ODXJJTPANSYTNJ-SWLSCSKDSA-N 2 1 263.385 2.119 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCOC1 ZINC000682028000 541620745 /nfs/dbraw/zinc/62/07/45/541620745.db2.gz OVKXKUJMJLZCPE-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@@H](NCCC[NH+](C)Cc2ccccc2)C1 ZINC000343065462 367654772 /nfs/dbraw/zinc/65/47/72/367654772.db2.gz LNODBRGHPWJLEK-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+]1C[C@@H](C)[C@@H](NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000343065462 367654779 /nfs/dbraw/zinc/65/47/79/367654779.db2.gz LNODBRGHPWJLEK-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+]1C[C@@H](C)[C@@H](NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000343065462 367654783 /nfs/dbraw/zinc/65/47/83/367654783.db2.gz LNODBRGHPWJLEK-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCn2ccnc2)C[C@H]1C ZINC000343314854 367751751 /nfs/dbraw/zinc/75/17/51/367751751.db2.gz OORIONIWQWUXAP-HUUCEWRRSA-N 2 1 264.417 2.078 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCn2ccnc2)C[C@H]1C ZINC000343314854 367751757 /nfs/dbraw/zinc/75/17/57/367751757.db2.gz OORIONIWQWUXAP-HUUCEWRRSA-N 2 1 264.417 2.078 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCn2ccnc2)C[C@H]1C ZINC000343314854 367751769 /nfs/dbraw/zinc/75/17/69/367751769.db2.gz OORIONIWQWUXAP-HUUCEWRRSA-N 2 1 264.417 2.078 20 0 CEADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CC1CCCC1 ZINC000343505974 367851595 /nfs/dbraw/zinc/85/15/95/367851595.db2.gz FQRMNSMBRZTDIC-BBWFWOEESA-N 2 1 280.456 2.392 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000335526319 212216738 /nfs/dbraw/zinc/21/67/38/212216738.db2.gz FRAGPECSSGRYKP-STQMWFEESA-N 2 1 290.411 2.010 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000343598326 367908336 /nfs/dbraw/zinc/90/83/36/367908336.db2.gz IQJSWOQBWOMAEV-XUWVNRHRSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000343598326 367908342 /nfs/dbraw/zinc/90/83/42/367908342.db2.gz IQJSWOQBWOMAEV-XUWVNRHRSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000343581240 367897197 /nfs/dbraw/zinc/89/71/97/367897197.db2.gz WRCDKTGWRYBICF-ZIAGYGMSSA-N 2 1 283.460 2.144 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000173891352 367955948 /nfs/dbraw/zinc/95/59/48/367955948.db2.gz UMFIEWLGSWNEAT-OAHLLOKOSA-N 2 1 274.408 2.395 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000173891352 367955953 /nfs/dbraw/zinc/95/59/53/367955953.db2.gz UMFIEWLGSWNEAT-OAHLLOKOSA-N 2 1 274.408 2.395 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000173891352 367955959 /nfs/dbraw/zinc/95/59/59/367955959.db2.gz UMFIEWLGSWNEAT-OAHLLOKOSA-N 2 1 274.408 2.395 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000173891352 367955964 /nfs/dbraw/zinc/95/59/64/367955964.db2.gz UMFIEWLGSWNEAT-OAHLLOKOSA-N 2 1 274.408 2.395 20 0 CEADMP CC[C@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)[NH+](CC)CC ZINC000344526833 368127530 /nfs/dbraw/zinc/12/75/30/368127530.db2.gz HRVVSLIAIXQVLN-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1C[NH+](CC)C[C@@H]1C ZINC000343988899 368099601 /nfs/dbraw/zinc/09/96/01/368099601.db2.gz OWLNIEGMHLHXAB-KKUMJFAQSA-N 2 1 255.450 2.037 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1C[N@H+](CC)C[C@@H]1C ZINC000343988899 368099608 /nfs/dbraw/zinc/09/96/08/368099608.db2.gz OWLNIEGMHLHXAB-KKUMJFAQSA-N 2 1 255.450 2.037 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000343988899 368099611 /nfs/dbraw/zinc/09/96/11/368099611.db2.gz OWLNIEGMHLHXAB-KKUMJFAQSA-N 2 1 255.450 2.037 20 0 CEADMP Cc1nc(C)c(C[NH2+]CC2=CC[N@@H+](C)CC2)s1 ZINC000345174764 368181611 /nfs/dbraw/zinc/18/16/11/368181611.db2.gz ZMVJNWCVDJQSLT-UHFFFAOYSA-N 2 1 251.399 2.111 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(CO)c1 ZINC000345189734 368186669 /nfs/dbraw/zinc/18/66/69/368186669.db2.gz SFFONQLMDSMTJE-WWGRRREGSA-N 2 1 262.397 2.312 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(CO)c1 ZINC000345189734 368186672 /nfs/dbraw/zinc/18/66/72/368186672.db2.gz SFFONQLMDSMTJE-WWGRRREGSA-N 2 1 262.397 2.312 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC000345525462 368311275 /nfs/dbraw/zinc/31/12/75/368311275.db2.gz HTHZQTVEKUTTDZ-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000345525462 368311279 /nfs/dbraw/zinc/31/12/79/368311279.db2.gz HTHZQTVEKUTTDZ-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000345525462 368311283 /nfs/dbraw/zinc/31/12/83/368311283.db2.gz HTHZQTVEKUTTDZ-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccnn1C ZINC000193287473 296117701 /nfs/dbraw/zinc/11/77/01/296117701.db2.gz QRYRQUUXYMIZJI-CYBMUJFWSA-N 2 1 264.417 2.193 20 0 CEADMP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000335492877 212170698 /nfs/dbraw/zinc/17/06/98/212170698.db2.gz SPTAKTFNDQDDSP-TVQRCGJNSA-N 2 1 252.308 2.151 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(CCCC(=O)OC(C)(C)C)C1 ZINC000181954454 368509107 /nfs/dbraw/zinc/50/91/07/368509107.db2.gz IFFQLRQQTMACDC-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCCC(=O)OC(C)(C)C)C1 ZINC000181954454 368509114 /nfs/dbraw/zinc/50/91/14/368509114.db2.gz IFFQLRQQTMACDC-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCC(=O)OC(C)(C)C)C1 ZINC000181954454 368509125 /nfs/dbraw/zinc/50/91/25/368509125.db2.gz IFFQLRQQTMACDC-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000181954454 368509132 /nfs/dbraw/zinc/50/91/32/368509132.db2.gz IFFQLRQQTMACDC-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000181954454 368509136 /nfs/dbraw/zinc/50/91/36/368509136.db2.gz IFFQLRQQTMACDC-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP CCOC(=O)C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182744659 368585768 /nfs/dbraw/zinc/58/57/68/368585768.db2.gz BIXDEOSLZVATCD-UHFFFAOYSA-N 2 1 284.444 2.384 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358087659 370898679 /nfs/dbraw/zinc/89/86/79/370898679.db2.gz XNXAXOQHUTXICH-AGIUHOORSA-N 2 1 270.417 2.179 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358087659 370898682 /nfs/dbraw/zinc/89/86/82/370898682.db2.gz XNXAXOQHUTXICH-AGIUHOORSA-N 2 1 270.417 2.179 20 0 CEADMP C[C@@H](CCC(F)(F)F)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000346573689 368723827 /nfs/dbraw/zinc/72/38/27/368723827.db2.gz RJWHSIOQDLIIJI-ZDUSSCGKSA-N 2 1 295.393 2.335 20 0 CEADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358149322 370924833 /nfs/dbraw/zinc/92/48/33/370924833.db2.gz YYDLBGDJHKDYMU-WQMJKPAKSA-N 2 1 294.826 2.400 20 0 CEADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358149322 370924838 /nfs/dbraw/zinc/92/48/38/370924838.db2.gz YYDLBGDJHKDYMU-WQMJKPAKSA-N 2 1 294.826 2.400 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2csc3ccccc23)C1 ZINC000358161253 370930238 /nfs/dbraw/zinc/93/02/38/370930238.db2.gz FIUMYEWBALMVDI-OAHLLOKOSA-N 2 1 276.405 2.058 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2csc3ccccc23)C1 ZINC000358161253 370930246 /nfs/dbraw/zinc/93/02/46/370930246.db2.gz FIUMYEWBALMVDI-OAHLLOKOSA-N 2 1 276.405 2.058 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC2(C)CCCCCC2)C1 ZINC000358121653 370914194 /nfs/dbraw/zinc/91/41/94/370914194.db2.gz SLHZZSSKUIINOS-HNNXBMFYSA-N 2 1 254.418 2.003 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]CC2(C)CCCCCC2)C1 ZINC000358121653 370914197 /nfs/dbraw/zinc/91/41/97/370914197.db2.gz SLHZZSSKUIINOS-HNNXBMFYSA-N 2 1 254.418 2.003 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346681021 368767295 /nfs/dbraw/zinc/76/72/95/368767295.db2.gz OAYJNEZJUDJWBN-CQSZACIVSA-N 2 1 274.412 2.448 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346681021 368767300 /nfs/dbraw/zinc/76/73/00/368767300.db2.gz OAYJNEZJUDJWBN-CQSZACIVSA-N 2 1 274.412 2.448 20 0 CEADMP C[N@@H+](Cc1cc(-n2ccnc2)cs1)CC(C)(C)C[NH3+] ZINC000346682738 368767769 /nfs/dbraw/zinc/76/77/69/368767769.db2.gz PMWMALJERYZAGW-UHFFFAOYSA-N 2 1 278.425 2.351 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000346636967 368745732 /nfs/dbraw/zinc/74/57/32/368745732.db2.gz INOWIFOBFHETOQ-RISCZKNCSA-N 2 1 264.417 2.079 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000346650564 368751530 /nfs/dbraw/zinc/75/15/30/368751530.db2.gz CSCHTMITJMQLFS-OCCSQVGLSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000346650564 368751536 /nfs/dbraw/zinc/75/15/36/368751536.db2.gz CSCHTMITJMQLFS-OCCSQVGLSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000346650564 368751541 /nfs/dbraw/zinc/75/15/41/368751541.db2.gz CSCHTMITJMQLFS-OCCSQVGLSA-N 2 1 270.380 2.246 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634678858 368809160 /nfs/dbraw/zinc/80/91/60/368809160.db2.gz FJLKXQFOAKUHPL-GXTWGEPZSA-N 2 1 265.401 2.375 20 0 CEADMP C[NH2+]C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000634687619 368815897 /nfs/dbraw/zinc/81/58/97/368815897.db2.gz SFMVAIPMZQNJOZ-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP CC[NH+](CC)C[C@H]1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000347735309 368817903 /nfs/dbraw/zinc/81/79/03/368817903.db2.gz OJHYHIJPKOQIMJ-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CSC1(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000347943276 368834047 /nfs/dbraw/zinc/83/40/47/368834047.db2.gz OPAOPMRYXOCASI-LLVKDONJSA-N 2 1 253.415 2.313 20 0 CEADMP CC1(CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634712179 368834968 /nfs/dbraw/zinc/83/49/68/368834968.db2.gz AENLQCUEFJKGCZ-GOSISDBHSA-N 2 1 288.435 2.403 20 0 CEADMP CC1(CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634712179 368834972 /nfs/dbraw/zinc/83/49/72/368834972.db2.gz AENLQCUEFJKGCZ-GOSISDBHSA-N 2 1 288.435 2.403 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000346694238 368777540 /nfs/dbraw/zinc/77/75/40/368777540.db2.gz SWTTZMKLUPQCIH-CHWSQXEVSA-N 2 1 270.380 2.246 20 0 CEADMP CC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634637003 368790076 /nfs/dbraw/zinc/79/00/76/368790076.db2.gz NLOZPCHKABKEGY-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP CC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634637003 368790080 /nfs/dbraw/zinc/79/00/80/368790080.db2.gz NLOZPCHKABKEGY-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP CC1(C)C[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634644440 368792966 /nfs/dbraw/zinc/79/29/66/368792966.db2.gz VJICLWLBBLCJNH-NVXWUHKLSA-N 2 1 274.408 2.012 20 0 CEADMP CC1(C)C[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634644440 368792971 /nfs/dbraw/zinc/79/29/71/368792971.db2.gz VJICLWLBBLCJNH-NVXWUHKLSA-N 2 1 274.408 2.012 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CCO[C@H](C(F)F)CC1 ZINC000634751850 368862623 /nfs/dbraw/zinc/86/26/23/368862623.db2.gz YPANXKXVIKNKIF-STQMWFEESA-N 2 1 276.371 2.217 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CCO[C@@H](C(F)F)CC1 ZINC000634751847 368863002 /nfs/dbraw/zinc/86/30/02/368863002.db2.gz YPANXKXVIKNKIF-CHWSQXEVSA-N 2 1 276.371 2.217 20 0 CEADMP COC(=O)CC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000348066885 368883380 /nfs/dbraw/zinc/88/33/80/368883380.db2.gz DDNHWGAPXRRRIE-UHFFFAOYSA-N 2 1 293.411 2.247 20 0 CEADMP C[C@@H](CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)OCc1ccccc1 ZINC000682755532 541710211 /nfs/dbraw/zinc/71/02/11/541710211.db2.gz RYJROJBUFSCHOL-BHYGNILZSA-N 2 1 274.408 2.133 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000348103264 368899347 /nfs/dbraw/zinc/89/93/47/368899347.db2.gz OEMZQTRWOWRFMI-DZKIICNBSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000348103264 368899351 /nfs/dbraw/zinc/89/93/51/368899351.db2.gz OEMZQTRWOWRFMI-DZKIICNBSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(CO)c2ccccc2)CC[N@H+]1C ZINC000348333648 369008980 /nfs/dbraw/zinc/00/89/80/369008980.db2.gz OBBNLUHZPKAJFC-HYVNUMGLSA-N 2 1 276.424 2.009 20 0 CEADMP CN(Cc1ncc(C[NH+](C)C)s1)[C@@H]1CC1(C)C ZINC000348362684 369017951 /nfs/dbraw/zinc/01/79/51/369017951.db2.gz YPYATXRZMVGBOZ-LLVKDONJSA-N 2 1 253.415 2.435 20 0 CEADMP CN(Cc1ncc(C[NH+](C)C)s1)[C@H]1CC1(C)C ZINC000348362685 369018276 /nfs/dbraw/zinc/01/82/76/369018276.db2.gz YPYATXRZMVGBOZ-NSHDSACASA-N 2 1 253.415 2.435 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC12CC(C1)C[NH2+]2 ZINC000634992543 369020845 /nfs/dbraw/zinc/02/08/45/369020845.db2.gz SQMIVMODUUQEPR-IVMQYODDSA-N 2 1 299.462 2.335 20 0 CEADMP CC[C@@H]1CC[C@@H]1Nc1ccc(N2CCN(C)CC2)cn1 ZINC000348388218 369027193 /nfs/dbraw/zinc/02/71/93/369027193.db2.gz ZOQWXRRPKIOJFR-HIFRSBDPSA-N 2 1 274.412 2.434 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000634998610 369031639 /nfs/dbraw/zinc/03/16/39/369031639.db2.gz IHIGOJPOXLFGHM-UKRRQHHQSA-N 2 1 284.407 2.412 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3cnccc32)C[C@H]1C[NH3+] ZINC000634998598 369032245 /nfs/dbraw/zinc/03/22/45/369032245.db2.gz ICHKORSXZHVBBM-SWLSCSKDSA-N 2 1 255.365 2.261 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000635003946 369039572 /nfs/dbraw/zinc/03/95/72/369039572.db2.gz BZBHPLROQCKWGO-XJKCOSOUSA-N 2 1 259.397 2.173 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635008260 369044158 /nfs/dbraw/zinc/04/41/58/369044158.db2.gz RGWWBUIKUJCHFU-YESZJQIVSA-N 3 1 275.440 2.054 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348519425 369067694 /nfs/dbraw/zinc/06/76/94/369067694.db2.gz CPAXQVIZYMFKIY-IJLUTSLNSA-N 2 1 262.344 2.221 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](CO)C2)[C@@H](C)C1 ZINC000348639098 369108723 /nfs/dbraw/zinc/10/87/23/369108723.db2.gz GGMUNSMIRHWKNV-JJXSEGSLSA-N 2 1 268.445 2.105 20 0 CEADMP CCC[NH+]1CCC(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635461952 369181100 /nfs/dbraw/zinc/18/11/00/369181100.db2.gz WXQCRZUAAFFGJM-UHFFFAOYSA-N 2 1 297.487 2.203 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH+](C)C)c1 ZINC000635545071 369212959 /nfs/dbraw/zinc/21/29/59/369212959.db2.gz FSFJEEVEGRJWPF-CQSZACIVSA-N 2 1 291.439 2.093 20 0 CEADMP CC[N@@H+]1C[C@H](NC[C@H](C2CCCCC2)[NH+](C)C)[C@@H](C)C1 ZINC000343583929 216832743 /nfs/dbraw/zinc/83/27/43/216832743.db2.gz ZGXZTTREJPZCSG-BHYGNILZSA-N 2 1 281.488 2.427 20 0 CEADMP Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)c(C[NH+](C)C)c1 ZINC000635566842 369222764 /nfs/dbraw/zinc/22/27/64/369222764.db2.gz NXXUGNKOYIBTPL-INIZCTEOSA-N 2 1 289.423 2.479 20 0 CEADMP Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C)c(C[NH+](C)C)c1 ZINC000635566842 369222767 /nfs/dbraw/zinc/22/27/67/369222767.db2.gz NXXUGNKOYIBTPL-INIZCTEOSA-N 2 1 289.423 2.479 20 0 CEADMP C[C@H](NC/C=C/C[NH2+][C@@H](C)c1ccon1)c1ccon1 ZINC000349198626 369264670 /nfs/dbraw/zinc/26/46/70/369264670.db2.gz LJKLPQSOHDWEOE-QSKOYVBTSA-N 2 1 276.340 2.220 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635922010 369406607 /nfs/dbraw/zinc/40/66/07/369406607.db2.gz OFTIXLSYDPXUEZ-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000349833774 369416251 /nfs/dbraw/zinc/41/62/51/369416251.db2.gz LRCLWYZBZRLLIN-NQBHXWOUSA-N 2 1 267.442 2.485 20 0 CEADMP C[N@@H+](CC(=O)NCCCCC[NH+]1CCCC1)CC(C)(C)C ZINC000635966100 369429565 /nfs/dbraw/zinc/42/95/65/369429565.db2.gz OKBRLEAVPGOHDZ-UHFFFAOYSA-N 2 1 297.487 2.347 20 0 CEADMP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC(C)C ZINC000358211341 370952230 /nfs/dbraw/zinc/95/22/30/370952230.db2.gz QNMRPBXULDBXFW-UHFFFAOYSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H](CCC1CCCC1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358227247 370961236 /nfs/dbraw/zinc/96/12/36/370961236.db2.gz AWCKRFBXRPDYCJ-ZFWWWQNUSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H](CCC1CCCC1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358227247 370961240 /nfs/dbraw/zinc/96/12/40/370961240.db2.gz AWCKRFBXRPDYCJ-ZFWWWQNUSA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000246559452 370976939 /nfs/dbraw/zinc/97/69/39/370976939.db2.gz XCMBUKFRHRBZDL-XHSDSOJGSA-N 2 1 268.445 2.369 20 0 CEADMP C[NH+](C)CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000276276329 193267421 /nfs/dbraw/zinc/26/74/21/193267421.db2.gz DLDDBGBSGFGSKR-OKZBNKHCSA-N 2 1 287.451 2.048 20 0 CEADMP CN(C)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000276276329 193267423 /nfs/dbraw/zinc/26/74/23/193267423.db2.gz DLDDBGBSGFGSKR-OKZBNKHCSA-N 2 1 287.451 2.048 20 0 CEADMP CN(C)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000276276329 193267425 /nfs/dbraw/zinc/26/74/25/193267425.db2.gz DLDDBGBSGFGSKR-OKZBNKHCSA-N 2 1 287.451 2.048 20 0 CEADMP CC[C@@]1(CO)CCC[N@@H+](Cc2cccc3nccn32)C1 ZINC000190223079 369605514 /nfs/dbraw/zinc/60/55/14/369605514.db2.gz YYFSPPAIZMLSBC-MRXNPFEDSA-N 2 1 273.380 2.319 20 0 CEADMP Cc1ncccc1Cc1noc([C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC000351235579 369628379 /nfs/dbraw/zinc/62/83/79/369628379.db2.gz OHKZKCVMMGRYGN-GXFFZTMASA-N 2 1 272.352 2.029 20 0 CEADMP C[C@H]1C[C@H](NCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000276457572 193338567 /nfs/dbraw/zinc/33/85/67/193338567.db2.gz KUHRWWKPIRBMQX-DOTOQJQBSA-N 2 1 275.440 2.191 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCCC2(CCCC2)C1)C1CC1 ZINC000351644615 369647457 /nfs/dbraw/zinc/64/74/57/369647457.db2.gz AUDYWAVCWACQKX-HNNXBMFYSA-N 2 1 266.429 2.098 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC2(CCCC2)C1)C1CC1 ZINC000351644615 369647460 /nfs/dbraw/zinc/64/74/60/369647460.db2.gz AUDYWAVCWACQKX-HNNXBMFYSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCCC2(CCCC2)C1)C1CC1 ZINC000351644615 369647467 /nfs/dbraw/zinc/64/74/67/369647467.db2.gz AUDYWAVCWACQKX-HNNXBMFYSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCCC2(CCCC2)C1)C1CC1 ZINC000351644615 369647472 /nfs/dbraw/zinc/64/74/72/369647472.db2.gz AUDYWAVCWACQKX-HNNXBMFYSA-N 2 1 266.429 2.098 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000351956879 369657540 /nfs/dbraw/zinc/65/75/40/369657540.db2.gz IOVYRFXKDLKSSJ-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000351956879 369657543 /nfs/dbraw/zinc/65/75/43/369657543.db2.gz IOVYRFXKDLKSSJ-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000351956879 369657546 /nfs/dbraw/zinc/65/75/46/369657546.db2.gz IOVYRFXKDLKSSJ-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000351956879 369657551 /nfs/dbraw/zinc/65/75/51/369657551.db2.gz IOVYRFXKDLKSSJ-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP [NH3+]CCC[N@@H+](Cc1cn2cccnc2n1)CC1CCCC1 ZINC000352478364 369749946 /nfs/dbraw/zinc/74/99/46/369749946.db2.gz WHHILOITKNXIKX-UHFFFAOYSA-N 2 1 287.411 2.070 20 0 CEADMP [NH3+]CCC[N@H+](Cc1cn2cccnc2n1)CC1CCCC1 ZINC000352478364 369749948 /nfs/dbraw/zinc/74/99/48/369749948.db2.gz WHHILOITKNXIKX-UHFFFAOYSA-N 2 1 287.411 2.070 20 0 CEADMP CC(C)(C)n1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000352526679 369773512 /nfs/dbraw/zinc/77/35/12/369773512.db2.gz QOABBHYUWJYANJ-CQSZACIVSA-N 2 1 264.417 2.341 20 0 CEADMP CC(C)(C)n1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000352526679 369773514 /nfs/dbraw/zinc/77/35/14/369773514.db2.gz QOABBHYUWJYANJ-CQSZACIVSA-N 2 1 264.417 2.341 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352610183 369806488 /nfs/dbraw/zinc/80/64/88/369806488.db2.gz ZBWDDJBWCOTAIH-KFWWJZLASA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352610183 369806493 /nfs/dbraw/zinc/80/64/93/369806493.db2.gz ZBWDDJBWCOTAIH-KFWWJZLASA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352610183 369806496 /nfs/dbraw/zinc/80/64/96/369806496.db2.gz ZBWDDJBWCOTAIH-KFWWJZLASA-N 2 1 254.418 2.075 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352535772 369776095 /nfs/dbraw/zinc/77/60/95/369776095.db2.gz VJMBTBTZJGEIPB-KRWDZBQOSA-N 2 1 288.391 2.049 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352535772 369776099 /nfs/dbraw/zinc/77/60/99/369776099.db2.gz VJMBTBTZJGEIPB-KRWDZBQOSA-N 2 1 288.391 2.049 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)C1CCCC1 ZINC000352703257 369846814 /nfs/dbraw/zinc/84/68/14/369846814.db2.gz APEVQSOQERYIJP-HNNXBMFYSA-N 2 1 265.401 2.112 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CCC2(C)CC2)s1 ZINC000352703440 369847072 /nfs/dbraw/zinc/84/70/72/369847072.db2.gz FSADFCVKPLQOGU-UHFFFAOYSA-N 2 1 253.415 2.485 20 0 CEADMP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H]1CCCO1 ZINC000352760323 369870899 /nfs/dbraw/zinc/87/08/99/369870899.db2.gz OKIVBWRECBWEAC-QWHCGFSZSA-N 2 1 283.441 2.252 20 0 CEADMP C[N@@H+]1C[C@H]2CN(Cc3cc4ccccc4o3)C[C@H]2C1 ZINC000193607009 369960884 /nfs/dbraw/zinc/96/08/84/369960884.db2.gz HZBSAKSNHSPIJL-OKILXGFUSA-N 2 1 256.349 2.426 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@@H]2C1 ZINC000193607009 369960889 /nfs/dbraw/zinc/96/08/89/369960889.db2.gz HZBSAKSNHSPIJL-OKILXGFUSA-N 2 1 256.349 2.426 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@@H]2C1 ZINC000193607009 369960895 /nfs/dbraw/zinc/96/08/95/369960895.db2.gz HZBSAKSNHSPIJL-OKILXGFUSA-N 2 1 256.349 2.426 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000193250059 369911070 /nfs/dbraw/zinc/91/10/70/369911070.db2.gz VJUUGUWGTJHDJC-MRXNPFEDSA-N 2 1 288.435 2.438 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)N2[C@@H](C)C[N@@H+](C)[C@H](C)[C@@H]2C)CC1 ZINC000637378603 369922694 /nfs/dbraw/zinc/92/26/94/369922694.db2.gz NZCYWQIBSKBELJ-ZNMIVQPWSA-N 2 1 295.471 2.046 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@@H](C)[NH3+])C1 ZINC000193314571 369923949 /nfs/dbraw/zinc/92/39/49/369923949.db2.gz HHXCZCSAFYLUOH-ZIAGYGMSSA-N 2 1 283.460 2.131 20 0 CEADMP CCC[N@H+](CCCn1cc[nH+]c1C)CCN1CCCC1 ZINC000352879255 369928354 /nfs/dbraw/zinc/92/83/54/369928354.db2.gz VLENURDZJKUVQE-UHFFFAOYSA-N 2 1 278.444 2.389 20 0 CEADMP CCC[N@@H+](CCCn1cc[nH+]c1C)CCN1CCCC1 ZINC000352879255 369928359 /nfs/dbraw/zinc/92/83/59/369928359.db2.gz VLENURDZJKUVQE-UHFFFAOYSA-N 2 1 278.444 2.389 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCO1 ZINC000353152437 370042448 /nfs/dbraw/zinc/04/24/48/370042448.db2.gz WPIDPYZBQZQXKT-JPIQDLEPSA-N 2 1 266.429 2.359 20 0 CEADMP C[C@H]1C[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000353152437 370042450 /nfs/dbraw/zinc/04/24/50/370042450.db2.gz WPIDPYZBQZQXKT-JPIQDLEPSA-N 2 1 266.429 2.359 20 0 CEADMP C[C@H]1C[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000353152437 370042452 /nfs/dbraw/zinc/04/24/52/370042452.db2.gz WPIDPYZBQZQXKT-JPIQDLEPSA-N 2 1 266.429 2.359 20 0 CEADMP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C)[C@H]1CC ZINC000637808949 370079542 /nfs/dbraw/zinc/07/95/42/370079542.db2.gz NDKKASMZBBTCKX-ZBFHGGJFSA-N 2 1 289.423 2.465 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000353917061 370134319 /nfs/dbraw/zinc/13/43/19/370134319.db2.gz QUUNKTLOUCCBDL-KBUPBQIOSA-N 2 1 284.444 2.284 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCn1cccn1 ZINC000353975188 370159560 /nfs/dbraw/zinc/15/95/60/370159560.db2.gz UPWZSJDXKVMPBV-GJZGRUSLSA-N 2 1 264.417 2.126 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCn1cccn1 ZINC000353975188 370159564 /nfs/dbraw/zinc/15/95/64/370159564.db2.gz UPWZSJDXKVMPBV-GJZGRUSLSA-N 2 1 264.417 2.126 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353987328 370165151 /nfs/dbraw/zinc/16/51/51/370165151.db2.gz OTOLRDUTPUGZSU-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353987328 370165155 /nfs/dbraw/zinc/16/51/55/370165155.db2.gz OTOLRDUTPUGZSU-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353987328 370165160 /nfs/dbraw/zinc/16/51/60/370165160.db2.gz OTOLRDUTPUGZSU-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@H+]1CCC[C@H](CNCc2ccnn2C(C)C)C1 ZINC000354146240 370233183 /nfs/dbraw/zinc/23/31/83/370233183.db2.gz MUMCNGGMDZGHEQ-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C(C)C)C1 ZINC000354146240 370233189 /nfs/dbraw/zinc/23/31/89/370233189.db2.gz MUMCNGGMDZGHEQ-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C(C)C)C1 ZINC000354146240 370233193 /nfs/dbraw/zinc/23/31/93/370233193.db2.gz MUMCNGGMDZGHEQ-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC000354077982 370206540 /nfs/dbraw/zinc/20/65/40/370206540.db2.gz LKBXTEQODDFPFV-KRWDZBQOSA-N 2 1 291.439 2.323 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000354330328 370317965 /nfs/dbraw/zinc/31/79/65/370317965.db2.gz OAURGAGXUIVKIM-CYBMUJFWSA-N 2 1 282.428 2.182 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000354330328 370317967 /nfs/dbraw/zinc/31/79/67/370317967.db2.gz OAURGAGXUIVKIM-CYBMUJFWSA-N 2 1 282.428 2.182 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000222898667 370258256 /nfs/dbraw/zinc/25/82/56/370258256.db2.gz FSEMMRHAEZBUNQ-BZUAXINKSA-N 2 1 261.413 2.149 20 0 CEADMP O=c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c[nH]1 ZINC000638104564 370303693 /nfs/dbraw/zinc/30/36/93/370303693.db2.gz JPMRDAXZUKGUOL-OAHLLOKOSA-N 2 1 275.396 2.238 20 0 CEADMP O=c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c[nH]1 ZINC000638104564 370303701 /nfs/dbraw/zinc/30/37/01/370303701.db2.gz JPMRDAXZUKGUOL-OAHLLOKOSA-N 2 1 275.396 2.238 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226864825 370353373 /nfs/dbraw/zinc/35/33/73/370353373.db2.gz OTLYYZBWYAOGGK-FXUDXRNXSA-N 2 1 267.461 2.370 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000226864825 370353378 /nfs/dbraw/zinc/35/33/78/370353378.db2.gz OTLYYZBWYAOGGK-FXUDXRNXSA-N 3 1 267.461 2.370 20 0 CEADMP CCC[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)OC ZINC000638178733 370359082 /nfs/dbraw/zinc/35/90/82/370359082.db2.gz PFGQQLWEUQZBKK-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)OC ZINC000638178733 370359083 /nfs/dbraw/zinc/35/90/83/370359083.db2.gz PFGQQLWEUQZBKK-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)OC ZINC000638178733 370359084 /nfs/dbraw/zinc/35/90/84/370359084.db2.gz PFGQQLWEUQZBKK-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000354433014 370360596 /nfs/dbraw/zinc/36/05/96/370360596.db2.gz METCXUBCFVUPLP-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CC[N@@H+]1CC[C@@H](N(C)c2[nH+]cnc3[nH]ccc32)C[C@H]1C ZINC000354355929 370330100 /nfs/dbraw/zinc/33/01/00/370330100.db2.gz YKNWBFWWLOIJAH-VXGBXAGGSA-N 2 1 273.384 2.267 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)c2[nH+]cnc3[nH]ccc32)C[C@H]1C ZINC000354355929 370330103 /nfs/dbraw/zinc/33/01/03/370330103.db2.gz YKNWBFWWLOIJAH-VXGBXAGGSA-N 2 1 273.384 2.267 20 0 CEADMP C[N@@H+](CCCOc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000226436433 370342988 /nfs/dbraw/zinc/34/29/88/370342988.db2.gz BDKNYQXQTWYPAA-OAHLLOKOSA-N 2 1 262.397 2.387 20 0 CEADMP CC(C)n1nccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000354570089 370415447 /nfs/dbraw/zinc/41/54/47/370415447.db2.gz OFKBXTMYORGWOQ-UHFFFAOYSA-N 2 1 250.390 2.040 20 0 CEADMP Cn1cc(CCC[NH2+]CC2([NH+](C)C)CCCCC2)cn1 ZINC000638281683 370419265 /nfs/dbraw/zinc/41/92/65/370419265.db2.gz VWWKLPAIBGEKMV-UHFFFAOYSA-N 2 1 278.444 2.207 20 0 CEADMP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)sn1 ZINC000638334966 370453389 /nfs/dbraw/zinc/45/33/89/370453389.db2.gz FUFTXOMEQSFNLK-JTQLQIEISA-N 2 1 264.398 2.382 20 0 CEADMP CC(C)[C@@H](C[NH2+]C1CC(n2cccn2)C1)[NH+]1CCCC1 ZINC000638352991 370462461 /nfs/dbraw/zinc/46/24/61/370462461.db2.gz QATVFYDVSYAYNL-UYSNPLJNSA-N 2 1 276.428 2.297 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000638364032 370474150 /nfs/dbraw/zinc/47/41/50/370474150.db2.gz VWZRXNVQPFIFMD-FPCVCCKLSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000638364032 370474154 /nfs/dbraw/zinc/47/41/54/370474154.db2.gz VWZRXNVQPFIFMD-FPCVCCKLSA-N 2 1 295.471 2.144 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]21 ZINC000230045134 370437697 /nfs/dbraw/zinc/43/76/97/370437697.db2.gz FYDULZZWYLORIM-CWRNSKLLSA-N 2 1 260.381 2.125 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H](OCC)[C@@]23CCCO3)C1 ZINC000638408989 370508364 /nfs/dbraw/zinc/50/83/64/370508364.db2.gz HDLXPJLKEAITFL-MWDXBVQZSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCC1 ZINC000355135371 370516826 /nfs/dbraw/zinc/51/68/26/370516826.db2.gz QLQBOOVXQFNLHR-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCC1 ZINC000355135371 370516829 /nfs/dbraw/zinc/51/68/29/370516829.db2.gz QLQBOOVXQFNLHR-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH2+][C@@H](C)C(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000638384084 370489194 /nfs/dbraw/zinc/48/91/94/370489194.db2.gz QMPNVPLUYCVGDG-AWEZNQCLSA-N 2 1 283.460 2.145 20 0 CEADMP C[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000355408097 370556863 /nfs/dbraw/zinc/55/68/63/370556863.db2.gz HOYGUXOLFUQVOG-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000355582415 370606255 /nfs/dbraw/zinc/60/62/55/370606255.db2.gz JXQNLSSPBZVOPJ-DXCHVLGVSA-N 2 1 277.456 2.076 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCO2)[C@H](C)C1 ZINC000638594256 370625263 /nfs/dbraw/zinc/62/52/63/370625263.db2.gz FCVPPRYBKCCPLV-IKGGRYGDSA-N 2 1 298.471 2.282 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)[C@H](C)C1 ZINC000358290336 370995691 /nfs/dbraw/zinc/99/56/91/370995691.db2.gz DTAFYDCLTVPHEQ-OAGGEKHMSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000358294131 370998895 /nfs/dbraw/zinc/99/88/95/370998895.db2.gz YMVDKGMJOMFMNE-KFWWJZLASA-N 2 1 290.407 2.146 20 0 CEADMP c1ccc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000358296894 370999803 /nfs/dbraw/zinc/99/98/03/370999803.db2.gz FTVPREZWEPNLAR-HOTGVXAUSA-N 2 1 259.397 2.231 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000638565754 370608070 /nfs/dbraw/zinc/60/80/70/370608070.db2.gz TTYOBPXMYGCSAB-UONOGXRCSA-N 2 1 279.428 2.341 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638566727 370608579 /nfs/dbraw/zinc/60/85/79/370608579.db2.gz OKYPOYIQPVVAQT-HUUCEWRRSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1ccccc1OCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247018862 371049421 /nfs/dbraw/zinc/04/94/21/371049421.db2.gz MSFJKGDBHNEMAK-GJZGRUSLSA-N 2 1 262.397 2.446 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000358344191 371025366 /nfs/dbraw/zinc/02/53/66/371025366.db2.gz VILMNTMWOJTQFZ-GVDBMIGSSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000358344191 371025372 /nfs/dbraw/zinc/02/53/72/371025372.db2.gz VILMNTMWOJTQFZ-GVDBMIGSSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358344191 371025377 /nfs/dbraw/zinc/02/53/77/371025377.db2.gz VILMNTMWOJTQFZ-GVDBMIGSSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCOC1 ZINC000246924861 371031323 /nfs/dbraw/zinc/03/13/23/371031323.db2.gz GXGIXHGJNXLYKD-ZVDSWSACSA-N 2 1 268.445 2.367 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCOC1 ZINC000246924861 371031329 /nfs/dbraw/zinc/03/13/29/371031329.db2.gz GXGIXHGJNXLYKD-ZVDSWSACSA-N 2 1 268.445 2.367 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCNc2ccc3ccccc3n2)CC[N@H+]1C ZINC000358406187 371052210 /nfs/dbraw/zinc/05/22/10/371052210.db2.gz SDTSCVICSVHZLD-HOCLYGCPSA-N 2 1 298.434 2.141 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000247033819 371052396 /nfs/dbraw/zinc/05/23/96/371052396.db2.gz NSWUBWPSDBTFAC-BFYDXBDKSA-N 3 1 281.488 2.427 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000247033819 371052402 /nfs/dbraw/zinc/05/24/02/371052402.db2.gz NSWUBWPSDBTFAC-BFYDXBDKSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000246965158 371039781 /nfs/dbraw/zinc/03/97/81/371039781.db2.gz PTOGDNUSRQKVBO-VGWMRTNUSA-N 2 1 295.471 2.048 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(F)c2N)C1 ZINC000639177734 371054576 /nfs/dbraw/zinc/05/45/76/371054576.db2.gz FNZMGQWYKKVOJO-DOMZBBRYSA-N 2 1 277.387 2.324 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639189796 371070016 /nfs/dbraw/zinc/07/00/16/371070016.db2.gz QZAZMPPUYLKSMC-RRFJBIMHSA-N 2 1 283.460 2.144 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639189796 371070021 /nfs/dbraw/zinc/07/00/21/371070021.db2.gz QZAZMPPUYLKSMC-RRFJBIMHSA-N 2 1 283.460 2.144 20 0 CEADMP Cn1cccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247223563 371078153 /nfs/dbraw/zinc/07/81/53/371078153.db2.gz WADQTIFGMQASAN-WMLDXEAASA-N 2 1 273.424 2.474 20 0 CEADMP CCC[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)OC ZINC000639206521 371094124 /nfs/dbraw/zinc/09/41/24/371094124.db2.gz AFCINBYRRIIBBC-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)OC ZINC000639206521 371094127 /nfs/dbraw/zinc/09/41/27/371094127.db2.gz AFCINBYRRIIBBC-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)OC ZINC000639206521 371094132 /nfs/dbraw/zinc/09/41/32/371094132.db2.gz AFCINBYRRIIBBC-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCCCC1 ZINC000247329023 371094134 /nfs/dbraw/zinc/09/41/34/371094134.db2.gz INTVSIKGVODNGB-PMPSAXMXSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]CCCc1cnn(C)c1 ZINC000639219122 371112920 /nfs/dbraw/zinc/11/29/20/371112920.db2.gz RSSTVPDRTXUYEL-KRWDZBQOSA-N 2 1 292.471 2.453 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+]CCC[C@H]2CCO2)[C@H](c2ccccc2)C1 ZINC000639285437 371186562 /nfs/dbraw/zinc/18/65/62/371186562.db2.gz FWFKGVAEMVGMRA-SQNIBIBYSA-N 2 1 288.435 2.491 20 0 CEADMP CC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248435270 371195455 /nfs/dbraw/zinc/19/54/55/371195455.db2.gz FMNDBIIGTHSYEW-XJKSGUPXSA-N 2 1 262.397 2.141 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](CCCO)CC1)CC(C)C ZINC000358743060 371201921 /nfs/dbraw/zinc/20/19/21/371201921.db2.gz JXDCITVCMCBZDZ-UHFFFAOYSA-N 2 1 270.461 2.449 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)sn1 ZINC000639346182 371257881 /nfs/dbraw/zinc/25/78/81/371257881.db2.gz DHTBNEQEOWDIAY-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)sn1 ZINC000639346182 371257885 /nfs/dbraw/zinc/25/78/85/371257885.db2.gz DHTBNEQEOWDIAY-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(F)c2N)C1 ZINC000639346610 371259187 /nfs/dbraw/zinc/25/91/87/371259187.db2.gz HPRPAZIAPZIIQN-LBPRGKRZSA-N 2 1 265.376 2.229 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(F)c2N)C1 ZINC000639346610 371259192 /nfs/dbraw/zinc/25/91/92/371259192.db2.gz HPRPAZIAPZIIQN-LBPRGKRZSA-N 2 1 265.376 2.229 20 0 CEADMP COC(C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)OC ZINC000248738044 371240605 /nfs/dbraw/zinc/24/06/05/371240605.db2.gz QGRZTLNQSQEWBO-GJZGRUSLSA-N 2 1 284.444 2.192 20 0 CEADMP COC(C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)OC ZINC000248738044 371240612 /nfs/dbraw/zinc/24/06/12/371240612.db2.gz QGRZTLNQSQEWBO-GJZGRUSLSA-N 2 1 284.444 2.192 20 0 CEADMP COC(C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)OC ZINC000248738044 371240617 /nfs/dbraw/zinc/24/06/17/371240617.db2.gz QGRZTLNQSQEWBO-GJZGRUSLSA-N 2 1 284.444 2.192 20 0 CEADMP COC(C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)OC ZINC000248738044 371240623 /nfs/dbraw/zinc/24/06/23/371240623.db2.gz QGRZTLNQSQEWBO-GJZGRUSLSA-N 2 1 284.444 2.192 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCC[C@H](C)C1 ZINC000248761806 371242806 /nfs/dbraw/zinc/24/28/06/371242806.db2.gz DSMSPIDSDTZODA-BFZKSOEOSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+]1CCC[C@H](C)C1 ZINC000248761806 371242815 /nfs/dbraw/zinc/24/28/15/371242815.db2.gz DSMSPIDSDTZODA-BFZKSOEOSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+]1CCC[C@H](C)C1 ZINC000248761806 371242819 /nfs/dbraw/zinc/24/28/19/371242819.db2.gz DSMSPIDSDTZODA-BFZKSOEOSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCC[C@H](C)C1 ZINC000248761826 371242908 /nfs/dbraw/zinc/24/29/08/371242908.db2.gz DSMSPIDSDTZODA-ZSNVMCELSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+]1CCC[C@H](C)C1 ZINC000248761826 371242915 /nfs/dbraw/zinc/24/29/15/371242915.db2.gz DSMSPIDSDTZODA-ZSNVMCELSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+]1CCC[C@H](C)C1 ZINC000248761826 371242922 /nfs/dbraw/zinc/24/29/22/371242922.db2.gz DSMSPIDSDTZODA-ZSNVMCELSA-N 2 1 279.472 2.322 20 0 CEADMP O[C@@]1(C[NH+]2C3CCC2CC3)CC[N@H+](Cc2ccccc2)C1 ZINC000639448664 371330223 /nfs/dbraw/zinc/33/02/23/371330223.db2.gz KCRSELDTXICYTK-ABHNRTSZSA-N 2 1 286.419 2.250 20 0 CEADMP O[C@@]1(C[NH+]2C3CCC2CC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000639448664 371330228 /nfs/dbraw/zinc/33/02/28/371330228.db2.gz KCRSELDTXICYTK-ABHNRTSZSA-N 2 1 286.419 2.250 20 0 CEADMP CC(C)C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000249305512 371311716 /nfs/dbraw/zinc/31/17/16/371311716.db2.gz JFVZCQVMRHALPS-CAOSSQGBSA-N 2 1 269.477 2.281 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000249384538 371318390 /nfs/dbraw/zinc/31/83/90/371318390.db2.gz YDLCBAIUHARORT-KGLIPLIRSA-N 2 1 290.407 2.450 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000639494673 371361278 /nfs/dbraw/zinc/36/12/78/371361278.db2.gz KFLNUFXBJQNGJQ-CABCVRRESA-N 2 1 266.429 2.219 20 0 CEADMP Cc1nccn1C[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359230952 371385943 /nfs/dbraw/zinc/38/59/43/371385943.db2.gz ZPKHLHIFDQKQGP-MRXNPFEDSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359230952 371385948 /nfs/dbraw/zinc/38/59/48/371385948.db2.gz ZPKHLHIFDQKQGP-MRXNPFEDSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359230952 371385954 /nfs/dbraw/zinc/38/59/54/371385954.db2.gz ZPKHLHIFDQKQGP-MRXNPFEDSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1cccnc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250991813 371395724 /nfs/dbraw/zinc/39/57/24/371395724.db2.gz PAXKMNMIZAEROC-RBSFLKMASA-N 2 1 259.397 2.400 20 0 CEADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000251600485 371408998 /nfs/dbraw/zinc/40/89/98/371408998.db2.gz ZETQWTABJLSBDO-HOCLYGCPSA-N 2 1 289.423 2.067 20 0 CEADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000251600485 371409003 /nfs/dbraw/zinc/40/90/03/371409003.db2.gz ZETQWTABJLSBDO-HOCLYGCPSA-N 2 1 289.423 2.067 20 0 CEADMP CCN(C(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)C1CCCCC1 ZINC000249920530 371369442 /nfs/dbraw/zinc/36/94/42/371369442.db2.gz KYBPDUWLMQZCRG-LSDHHAIUSA-N 2 1 295.471 2.227 20 0 CEADMP CCN(C(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)C1CCCCC1 ZINC000249920530 371369448 /nfs/dbraw/zinc/36/94/48/371369448.db2.gz KYBPDUWLMQZCRG-LSDHHAIUSA-N 2 1 295.471 2.227 20 0 CEADMP CN(CC[N@@H+](C)CCC1CC[NH2+]CC1)c1ccccc1 ZINC000359194179 371370758 /nfs/dbraw/zinc/37/07/58/371370758.db2.gz RICQINDCSFABRV-UHFFFAOYSA-N 2 1 275.440 2.444 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC(C)(C)CO2)CC[N@@H+]1C ZINC000639509893 371373331 /nfs/dbraw/zinc/37/33/31/371373331.db2.gz PJTWNENBTHJBOH-HZSPNIEDSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC(C)(C)CO2)CC[N@H+]1C ZINC000639509893 371373336 /nfs/dbraw/zinc/37/33/36/371373336.db2.gz PJTWNENBTHJBOH-HZSPNIEDSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CC(C)(C)CO2)CC[NH+]1C ZINC000639509893 371373337 /nfs/dbraw/zinc/37/33/37/371373337.db2.gz PJTWNENBTHJBOH-HZSPNIEDSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CC(C)(C)CO2)CC[NH+]1C ZINC000639509893 371373340 /nfs/dbraw/zinc/37/33/40/371373340.db2.gz PJTWNENBTHJBOH-HZSPNIEDSA-N 2 1 254.418 2.216 20 0 CEADMP C[N@@H+](CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000250010506 371374368 /nfs/dbraw/zinc/37/43/68/371374368.db2.gz VCWMATIMBBOQRW-ZACQAIPSSA-N 2 1 279.472 2.371 20 0 CEADMP CC[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000252433040 371436795 /nfs/dbraw/zinc/43/67/95/371436795.db2.gz FTHZNGJUULQCOE-WBVHZDCISA-N 2 1 275.440 2.363 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)CC1 ZINC000639755890 371545923 /nfs/dbraw/zinc/54/59/23/371545923.db2.gz QIBSGYDTDDAORU-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP Cc1cccc([C@H](C)[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639760589 371548283 /nfs/dbraw/zinc/54/82/83/371548283.db2.gz GWGGIOUGLJCSON-DOTOQJQBSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639760589 371548293 /nfs/dbraw/zinc/54/82/93/371548293.db2.gz GWGGIOUGLJCSON-DOTOQJQBSA-N 2 1 276.424 2.445 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000639767844 371554753 /nfs/dbraw/zinc/55/47/53/371554753.db2.gz UDZOOKPWIHMSLV-SFHVURJKSA-N 2 1 299.418 2.123 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000639767844 371554758 /nfs/dbraw/zinc/55/47/58/371554758.db2.gz UDZOOKPWIHMSLV-SFHVURJKSA-N 2 1 299.418 2.123 20 0 CEADMP c1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc2c1CCC2 ZINC000257650729 371614862 /nfs/dbraw/zinc/61/48/62/371614862.db2.gz DFIJEXXIPXOQAX-QGZVFWFLSA-N 2 1 256.393 2.361 20 0 CEADMP Cc1ccc(F)cc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344030158 217018788 /nfs/dbraw/zinc/01/87/88/217018788.db2.gz NVCXTNRXEJUMIF-UHFFFAOYSA-N 2 1 295.446 2.449 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000258815663 371618002 /nfs/dbraw/zinc/61/80/02/371618002.db2.gz CSTJSVMRMFDWLJ-VXGBXAGGSA-N 2 1 269.186 2.419 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCNc1ccccn1 ZINC000361010498 371598289 /nfs/dbraw/zinc/59/82/89/371598289.db2.gz ZIUANOSRWQHMGQ-HUUCEWRRSA-N 2 1 276.428 2.204 20 0 CEADMP Clc1cccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261591910 371667641 /nfs/dbraw/zinc/66/76/41/371667641.db2.gz MEGPLLWIGORGHE-OLZOCXBDSA-N 2 1 280.799 2.260 20 0 CEADMP Clc1cccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261591910 371667645 /nfs/dbraw/zinc/66/76/45/371667645.db2.gz MEGPLLWIGORGHE-OLZOCXBDSA-N 2 1 280.799 2.260 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000361076873 371636622 /nfs/dbraw/zinc/63/66/22/371636622.db2.gz VFEWRSHMQKUZFW-BZUAXINKSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000361076873 371636626 /nfs/dbraw/zinc/63/66/26/371636626.db2.gz VFEWRSHMQKUZFW-BZUAXINKSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000361076873 371636637 /nfs/dbraw/zinc/63/66/37/371636637.db2.gz VFEWRSHMQKUZFW-BZUAXINKSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000361076873 371636643 /nfs/dbraw/zinc/63/66/43/371636643.db2.gz VFEWRSHMQKUZFW-BZUAXINKSA-N 3 1 267.461 2.037 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000361076873 371636654 /nfs/dbraw/zinc/63/66/54/371636654.db2.gz VFEWRSHMQKUZFW-BZUAXINKSA-N 3 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000361076873 371636662 /nfs/dbraw/zinc/63/66/62/371636662.db2.gz VFEWRSHMQKUZFW-BZUAXINKSA-N 3 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000361076873 371636670 /nfs/dbraw/zinc/63/66/70/371636670.db2.gz VFEWRSHMQKUZFW-BZUAXINKSA-N 3 1 267.461 2.037 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261574774 371657472 /nfs/dbraw/zinc/65/74/72/371657472.db2.gz XTPJACNDNINFCF-OAGGEKHMSA-N 2 1 267.461 2.229 20 0 CEADMP CC(C)[C@H](c1nc(C2([NH3+])CCCC2)no1)[NH+](C)C ZINC000261705971 371706172 /nfs/dbraw/zinc/70/61/72/371706172.db2.gz ILKXISLURNVWNS-SNVBAGLBSA-N 2 1 252.362 2.056 20 0 CEADMP CC(C)(C)OC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981553 371709738 /nfs/dbraw/zinc/70/97/38/371709738.db2.gz LDKHKYBJJQLUDS-HNNXBMFYSA-N 2 1 298.471 2.113 20 0 CEADMP Cc1csc(NC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261729375 371712212 /nfs/dbraw/zinc/71/22/12/371712212.db2.gz HBNMTHOVBTZDCK-OAHLLOKOSA-N 2 1 294.468 2.327 20 0 CEADMP FC(F)Oc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261734527 371713833 /nfs/dbraw/zinc/71/38/33/371713833.db2.gz LLKRRUVZAJDTKN-CHWSQXEVSA-N 2 1 282.334 2.329 20 0 CEADMP FC(F)Oc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261734527 371713837 /nfs/dbraw/zinc/71/38/37/371713837.db2.gz LLKRRUVZAJDTKN-CHWSQXEVSA-N 2 1 282.334 2.329 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc2c1CCC2 ZINC000261619154 371681094 /nfs/dbraw/zinc/68/10/94/371681094.db2.gz ULFNHCVVEOZHDM-SJORKVTESA-N 2 1 256.393 2.359 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000361151471 371682663 /nfs/dbraw/zinc/68/26/63/371682663.db2.gz FIIVCWKBNPBCCJ-GDBMZVCRSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CCN(C)C[C@H]2C)CC1 ZINC000361151471 371682664 /nfs/dbraw/zinc/68/26/64/371682664.db2.gz FIIVCWKBNPBCCJ-GDBMZVCRSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261639537 371688309 /nfs/dbraw/zinc/68/83/09/371688309.db2.gz CDWWFUFKHZMAPG-OAHLLOKOSA-N 2 1 283.460 2.132 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000261997022 371794885 /nfs/dbraw/zinc/79/48/85/371794885.db2.gz SYAZDZWUKORANZ-ONGXEEELSA-N 2 1 251.399 2.190 20 0 CEADMP FC(F)(F)C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000262013636 371799576 /nfs/dbraw/zinc/79/95/76/371799576.db2.gz VHWXALJHQUHBNP-NSHDSACASA-N 2 1 250.308 2.260 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc(-c4ccccc4)no3)C[C@@H]21 ZINC000262295938 371847415 /nfs/dbraw/zinc/84/74/15/371847415.db2.gz NWJYYLJHJXAWKO-SOUVJXGZSA-N 2 1 298.390 2.296 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc(-c4ccccc4)no3)C[C@@H]21 ZINC000262295938 371847421 /nfs/dbraw/zinc/84/74/21/371847421.db2.gz NWJYYLJHJXAWKO-SOUVJXGZSA-N 2 1 298.390 2.296 20 0 CEADMP C[N@@H+](CCCC1CCOCC1)C[C@H]1CCC[NH+](C)C1 ZINC000361457878 371855761 /nfs/dbraw/zinc/85/57/61/371855761.db2.gz CAESHWUBHMVKTL-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP C[NH+](CCCC1CCOCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000361457878 371855764 /nfs/dbraw/zinc/85/57/64/371855764.db2.gz CAESHWUBHMVKTL-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP C[NH+](CCCC1CCOCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000361457878 371855770 /nfs/dbraw/zinc/85/57/70/371855770.db2.gz CAESHWUBHMVKTL-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000262193283 371836478 /nfs/dbraw/zinc/83/64/78/371836478.db2.gz YZZLYXRWTBZXFJ-HUUCEWRRSA-N 2 1 262.397 2.351 20 0 CEADMP C[N@H+]1CCC[C@@H](CNC2=[NH+]CCCN2)[C@@H]1c1cccs1 ZINC000262700805 371899724 /nfs/dbraw/zinc/89/97/24/371899724.db2.gz YWHYQYSPEJIKPB-GXTWGEPZSA-N 2 1 292.452 2.070 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C)CC(F)(F)F)CC1 ZINC000344109166 217055215 /nfs/dbraw/zinc/05/52/15/217055215.db2.gz RBHFXNOHIYYGFD-JTQLQIEISA-N 2 1 268.323 2.028 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000262915893 371922676 /nfs/dbraw/zinc/92/26/76/371922676.db2.gz GGPBQWUPDZVFCP-KCYZZUKISA-N 2 1 295.471 2.131 20 0 CEADMP CC(C)N1CC[C@@H]([N@@H+](C)CCCC[NH+]2CCCCC2)C1=O ZINC000640532639 372022363 /nfs/dbraw/zinc/02/23/63/372022363.db2.gz HERQRQXZULVTKY-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCOCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361685342 372023827 /nfs/dbraw/zinc/02/38/27/372023827.db2.gz DNXKVWGOADLOOC-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCCCOCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000361685342 372023832 /nfs/dbraw/zinc/02/38/32/372023832.db2.gz DNXKVWGOADLOOC-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCCCOCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361685342 372023839 /nfs/dbraw/zinc/02/38/39/372023839.db2.gz DNXKVWGOADLOOC-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000361879625 372110958 /nfs/dbraw/zinc/11/09/58/372110958.db2.gz INCDZDONOLBRQI-ZWKOTPCHSA-N 2 1 288.435 2.402 20 0 CEADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000361879625 372110964 /nfs/dbraw/zinc/11/09/64/372110964.db2.gz INCDZDONOLBRQI-ZWKOTPCHSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccccc2)CC[N@@H+]1C ZINC000361887329 372115739 /nfs/dbraw/zinc/11/57/39/372115739.db2.gz NSWKAZJYGRAFQW-KBMXLJTQSA-N 2 1 262.397 2.182 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccccc2)CC[N@H+]1C ZINC000361887329 372115743 /nfs/dbraw/zinc/11/57/43/372115743.db2.gz NSWKAZJYGRAFQW-KBMXLJTQSA-N 2 1 262.397 2.182 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]C/C=C/c2ccc(F)cc2)CC1 ZINC000361798486 372077989 /nfs/dbraw/zinc/07/79/89/372077989.db2.gz MDCNCWYXMQIKOC-NSCUHMNNSA-N 2 1 292.398 2.275 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+](C)C ZINC000268729232 372198136 /nfs/dbraw/zinc/19/81/36/372198136.db2.gz SGBRMVQBKRFYSW-WMZOPIPTSA-N 2 1 289.467 2.438 20 0 CEADMP C[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000268933109 372291976 /nfs/dbraw/zinc/29/19/76/372291976.db2.gz TVILEAUTQDKCAE-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP CC[C@@H](NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(F)cc1F ZINC000268936243 372293866 /nfs/dbraw/zinc/29/38/66/372293866.db2.gz RSQPDCDNBQQKLM-CZUORRHYSA-N 2 1 297.393 2.251 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000268833434 372245930 /nfs/dbraw/zinc/24/59/30/372245930.db2.gz GBNUDKFYZQKYFE-LLVKDONJSA-N 2 1 273.384 2.339 20 0 CEADMP C[C@H](CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268844628 372251587 /nfs/dbraw/zinc/25/15/87/372251587.db2.gz OLJFTVMGKAHEOO-UXLLHSPISA-N 2 1 276.424 2.115 20 0 CEADMP C[C@H](CC[NH+](C)C)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269003803 372312899 /nfs/dbraw/zinc/31/28/99/372312899.db2.gz MGGMOFUKDXSLLS-JZXOWHBKSA-N 2 1 289.467 2.437 20 0 CEADMP Cc1cccnc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000362338721 372320054 /nfs/dbraw/zinc/32/00/54/372320054.db2.gz CIPVCJCXMOXVIX-HLLBOEOZSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cccnc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000362338721 372320057 /nfs/dbraw/zinc/32/00/57/372320057.db2.gz CIPVCJCXMOXVIX-HLLBOEOZSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cccnc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000362338721 372320063 /nfs/dbraw/zinc/32/00/63/372320063.db2.gz CIPVCJCXMOXVIX-HLLBOEOZSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cccnc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000362338721 372320071 /nfs/dbraw/zinc/32/00/71/372320071.db2.gz CIPVCJCXMOXVIX-HLLBOEOZSA-N 2 1 271.408 2.306 20 0 CEADMP CCC[C@@H]([NH3+])c1cn(C[C@@H]2CCCC[N@H+]2C(C)C)nn1 ZINC000641167229 372361802 /nfs/dbraw/zinc/36/18/02/372361802.db2.gz GJSQXARVNCFTHY-UONOGXRCSA-N 2 1 279.432 2.341 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000362409002 372353137 /nfs/dbraw/zinc/35/31/37/372353137.db2.gz XPQVUPOANPFLSF-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000362409002 372353140 /nfs/dbraw/zinc/35/31/40/372353140.db2.gz XPQVUPOANPFLSF-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000362409002 372353142 /nfs/dbraw/zinc/35/31/42/372353142.db2.gz XPQVUPOANPFLSF-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000362409002 372353145 /nfs/dbraw/zinc/35/31/45/372353145.db2.gz XPQVUPOANPFLSF-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000344368072 217169752 /nfs/dbraw/zinc/16/97/52/217169752.db2.gz COFBBQKYJXNXGP-QLFBSQMISA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)(C)c1cc[nH+]c(NCCC[NH+]2CCC(O)CC2)c1 ZINC000641301974 372439504 /nfs/dbraw/zinc/43/95/04/372439504.db2.gz GVJFFJOPOXSZCF-UHFFFAOYSA-N 2 1 291.439 2.060 20 0 CEADMP Cc1nccn1CCCC[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362583963 372442024 /nfs/dbraw/zinc/44/20/24/372442024.db2.gz PIQCMMNZRHAUIW-CYBMUJFWSA-N 2 1 294.443 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362583963 372442041 /nfs/dbraw/zinc/44/20/41/372442041.db2.gz PIQCMMNZRHAUIW-CYBMUJFWSA-N 2 1 294.443 2.207 20 0 CEADMP CCOC(=O)CC[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362614277 372458426 /nfs/dbraw/zinc/45/84/26/372458426.db2.gz FZVWGWVQGDVLQZ-AWEZNQCLSA-N 2 1 294.439 2.136 20 0 CEADMP Cc1nnc(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)o1 ZINC000362613682 372458627 /nfs/dbraw/zinc/45/86/27/372458627.db2.gz CXZCIVVAUABERE-ZDUSSCGKSA-N 2 1 290.411 2.074 20 0 CEADMP Cc1nnc(C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)o1 ZINC000362613682 372458628 /nfs/dbraw/zinc/45/86/28/372458628.db2.gz CXZCIVVAUABERE-ZDUSSCGKSA-N 2 1 290.411 2.074 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000362699085 372491590 /nfs/dbraw/zinc/49/15/90/372491590.db2.gz SJWXVEVQWSETTQ-FZMZJTMJSA-N 2 1 284.363 2.213 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)c1ccccc1C[NH+](C)C ZINC000362798897 372526450 /nfs/dbraw/zinc/52/64/50/372526450.db2.gz TYBYMKQTGXKUHV-UHFFFAOYSA-N 2 1 291.439 2.210 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(C)s1 ZINC000641773724 372717347 /nfs/dbraw/zinc/71/73/47/372717347.db2.gz ZNQNCIHEJCGCBI-ZDUSSCGKSA-N 2 1 270.442 2.239 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000641770420 372711310 /nfs/dbraw/zinc/71/13/10/372711310.db2.gz QYKMFRHANLWKBN-INIZCTEOSA-N 2 1 289.423 2.350 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)o1 ZINC000641797639 372738676 /nfs/dbraw/zinc/73/86/76/372738676.db2.gz DRVUNWVMHADYSQ-AWEZNQCLSA-N 2 1 251.374 2.106 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)o1 ZINC000641797639 372738680 /nfs/dbraw/zinc/73/86/80/372738680.db2.gz DRVUNWVMHADYSQ-AWEZNQCLSA-N 2 1 251.374 2.106 20 0 CEADMP C[C@@H]1CC[C@@H](CN)[N@@H+](CCCC2CC[NH2+]CC2)[C@@H]1C ZINC000641806266 372752445 /nfs/dbraw/zinc/75/24/45/372752445.db2.gz IKMRITBZXTXVIJ-FMKPAKJESA-N 2 1 267.461 2.214 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH3+])N(CCCC2CC[NH2+]CC2)[C@@H]1C ZINC000641806266 372752453 /nfs/dbraw/zinc/75/24/53/372752453.db2.gz IKMRITBZXTXVIJ-FMKPAKJESA-N 2 1 267.461 2.214 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccncc2)CC[N@H+]1C ZINC000344610755 217247890 /nfs/dbraw/zinc/24/78/90/217247890.db2.gz BBMGITZXISXZQC-BBRMVZONSA-N 2 1 299.422 2.054 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+]([C@H]3CCC(C)(C)C3)CC2)C1 ZINC000365044624 372800974 /nfs/dbraw/zinc/80/09/74/372800974.db2.gz RJHPJCAGEKKEJA-HOTGVXAUSA-N 2 1 279.472 2.277 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cs1 ZINC000333205681 205116802 /nfs/dbraw/zinc/11/68/02/205116802.db2.gz YWIJPCQAKWHQIU-GJZGRUSLSA-N 2 1 295.452 2.170 20 0 CEADMP CO[C@@H](CC(C)C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000642687012 372862707 /nfs/dbraw/zinc/86/27/07/372862707.db2.gz BIPUXGLYYVAQHP-HNNXBMFYSA-N 2 1 256.434 2.321 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353463616 220098737 /nfs/dbraw/zinc/09/87/37/220098737.db2.gz MZNLDAPIIIWTNO-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353463616 220098739 /nfs/dbraw/zinc/09/87/39/220098739.db2.gz MZNLDAPIIIWTNO-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353463616 220098741 /nfs/dbraw/zinc/09/87/41/220098741.db2.gz MZNLDAPIIIWTNO-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353463616 220098742 /nfs/dbraw/zinc/09/87/42/220098742.db2.gz MZNLDAPIIIWTNO-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353463616 220098744 /nfs/dbraw/zinc/09/87/44/220098744.db2.gz MZNLDAPIIIWTNO-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nccs2)[C@H]2CCC[C@@H]21 ZINC000353465973 220099278 /nfs/dbraw/zinc/09/92/78/220099278.db2.gz ZZAGIOBAQGYWCQ-WOPDTQHZSA-N 2 1 251.399 2.106 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2nccs2)[C@H]2CCC[C@@H]21 ZINC000353465973 220099280 /nfs/dbraw/zinc/09/92/80/220099280.db2.gz ZZAGIOBAQGYWCQ-WOPDTQHZSA-N 2 1 251.399 2.106 20 0 CEADMP CO[C@H](CC(C)C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000642687013 372862039 /nfs/dbraw/zinc/86/20/39/372862039.db2.gz BIPUXGLYYVAQHP-OAHLLOKOSA-N 2 1 256.434 2.321 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000365553965 372889608 /nfs/dbraw/zinc/88/96/08/372889608.db2.gz IQROYEJFFPOIGW-XJKSGUPXSA-N 2 1 277.412 2.471 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000365553965 372889616 /nfs/dbraw/zinc/88/96/16/372889616.db2.gz IQROYEJFFPOIGW-XJKSGUPXSA-N 2 1 277.412 2.471 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000353473148 220103565 /nfs/dbraw/zinc/10/35/65/220103565.db2.gz UMCPSEPRSXVVQZ-XHSDSOJGSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(=O)Nc3ccccc32)CC[N@H+]1C ZINC000366207502 373005059 /nfs/dbraw/zinc/00/50/59/373005059.db2.gz BZOWMUOUMPPBOW-MGPQQGTHSA-N 2 1 287.407 2.185 20 0 CEADMP CC[C@@H]([NH2+][C@@H](C)C[NH+](CC)CC)C1(C(=O)OC)CCC1 ZINC000353544758 220149292 /nfs/dbraw/zinc/14/92/92/220149292.db2.gz JNLHHTINRIRHND-UONOGXRCSA-N 2 1 284.444 2.428 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(CCOc3ccccc3F)C2)C1 ZINC000366496417 373071251 /nfs/dbraw/zinc/07/12/51/373071251.db2.gz JGUZSWYFOACXMM-INIZCTEOSA-N 2 1 278.371 2.232 20 0 CEADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCC1 ZINC000367611113 373167270 /nfs/dbraw/zinc/16/72/70/373167270.db2.gz ACALYPTVIIHSAK-RRFJBIMHSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000643457643 373127522 /nfs/dbraw/zinc/12/75/22/373127522.db2.gz SKSFMALSINGNHC-NVXWUHKLSA-N 2 1 287.451 2.096 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000643457643 373127523 /nfs/dbraw/zinc/12/75/23/373127523.db2.gz SKSFMALSINGNHC-NVXWUHKLSA-N 3 1 287.451 2.096 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000643457643 373127525 /nfs/dbraw/zinc/12/75/25/373127525.db2.gz SKSFMALSINGNHC-NVXWUHKLSA-N 3 1 287.451 2.096 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000271911524 373211962 /nfs/dbraw/zinc/21/19/62/373211962.db2.gz YASYJAPFUSEEQN-ZDUSSCGKSA-N 2 1 288.391 2.370 20 0 CEADMP C[C@@]1(C[NH2+][C@@H]2CCCc3cccnc32)CCC[NH2+]C1 ZINC000643518708 373175735 /nfs/dbraw/zinc/17/57/35/373175735.db2.gz PEOOZICERXKWFF-GDBMZVCRSA-N 2 1 259.397 2.438 20 0 CEADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H](CO)c1ccccc1 ZINC000271199501 373177591 /nfs/dbraw/zinc/17/75/91/373177591.db2.gz FGBWVTJKOSGRTF-JKSUJKDBSA-N 2 1 262.397 2.136 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H](CO)c1ccccc1 ZINC000271199501 373177599 /nfs/dbraw/zinc/17/75/99/373177599.db2.gz FGBWVTJKOSGRTF-JKSUJKDBSA-N 2 1 262.397 2.136 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](CO)c1ccccc1 ZINC000271199501 373177606 /nfs/dbraw/zinc/17/76/06/373177606.db2.gz FGBWVTJKOSGRTF-JKSUJKDBSA-N 2 1 262.397 2.136 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](CO)c1ccccc1 ZINC000271199501 373177614 /nfs/dbraw/zinc/17/76/14/373177614.db2.gz FGBWVTJKOSGRTF-JKSUJKDBSA-N 2 1 262.397 2.136 20 0 CEADMP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cn1 ZINC000643523050 373178355 /nfs/dbraw/zinc/17/83/55/373178355.db2.gz VWSCECFPVIZDHT-QWHCGFSZSA-N 2 1 251.349 2.404 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccncc1 ZINC000271432608 373189112 /nfs/dbraw/zinc/18/91/12/373189112.db2.gz BEYFXSRBXWBZBU-IAOVAPTHSA-N 2 1 289.423 2.110 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)C1C[NH2+]C1 ZINC000643533103 373189423 /nfs/dbraw/zinc/18/94/23/373189423.db2.gz YTVAVXXZOUFZNI-IINYFYTJSA-N 2 1 275.396 2.069 20 0 CEADMP COC(=O)[C@]12CCC[C@@H]1C[N@@H+](CC[C@H]1CCCC[NH+]1C)C2 ZINC000367809843 373191622 /nfs/dbraw/zinc/19/16/22/373191622.db2.gz JYPSVORWTBLYFS-INMHGKMJSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@]12CCC[C@@H]1C[NH+](CC[C@H]1CCCC[N@@H+]1C)C2 ZINC000367809843 373191632 /nfs/dbraw/zinc/19/16/32/373191632.db2.gz JYPSVORWTBLYFS-INMHGKMJSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@]12CCC[C@@H]1C[NH+](CC[C@H]1CCCC[N@H+]1C)C2 ZINC000367809843 373191641 /nfs/dbraw/zinc/19/16/41/373191641.db2.gz JYPSVORWTBLYFS-INMHGKMJSA-N 2 1 294.439 2.136 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000368607105 373249188 /nfs/dbraw/zinc/24/91/88/373249188.db2.gz GSCOHTYVJABBDE-XQQFMLRXSA-N 2 1 254.443 2.344 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CCC(C)C)C1 ZINC000644529892 373513066 /nfs/dbraw/zinc/51/30/66/373513066.db2.gz IYBSAZYHGXHSFX-CABCVRRESA-N 2 1 256.434 2.105 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)[C@@H](C)C1 ZINC000644550181 373524136 /nfs/dbraw/zinc/52/41/36/373524136.db2.gz MVQZPLFABQYLHX-RNJOBUHISA-N 2 1 294.361 2.152 20 0 CEADMP FC(F)C1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000683927061 541888819 /nfs/dbraw/zinc/88/88/19/541888819.db2.gz KOABJNCXBBBHTR-ZDUSSCGKSA-N 2 1 288.382 2.265 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000370203559 373604654 /nfs/dbraw/zinc/60/46/54/373604654.db2.gz INABMBNRZBDFBB-HOTGVXAUSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)n1 ZINC000370670511 373711660 /nfs/dbraw/zinc/71/16/60/373711660.db2.gz CSEJXNIRYZCAEC-QEJZJMRPSA-N 2 1 274.412 2.371 20 0 CEADMP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)n1 ZINC000370670511 373711671 /nfs/dbraw/zinc/71/16/71/373711671.db2.gz CSEJXNIRYZCAEC-QEJZJMRPSA-N 2 1 274.412 2.371 20 0 CEADMP CCC[N@@H+]1CC[C@@H](CNc2cc(CC)[nH+]c(C)n2)C1 ZINC000272905292 373704643 /nfs/dbraw/zinc/70/46/43/373704643.db2.gz QMCZBJPJIHCWQW-ZDUSSCGKSA-N 2 1 262.401 2.491 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNc2cc(CC)[nH+]c(C)n2)C1 ZINC000272905292 373704651 /nfs/dbraw/zinc/70/46/51/373704651.db2.gz QMCZBJPJIHCWQW-ZDUSSCGKSA-N 2 1 262.401 2.491 20 0 CEADMP CC[N@@H+]1C[C@H](Nc2nc3ccc(F)cc3n2C)[C@@H](C)C1 ZINC000644863023 373747815 /nfs/dbraw/zinc/74/78/15/373747815.db2.gz CZUKVWJGXRUCJV-GWCFXTLKSA-N 2 1 276.359 2.465 20 0 CEADMP Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1C ZINC000289548540 197397681 /nfs/dbraw/zinc/39/76/81/197397681.db2.gz OQXCECHMKQKPCO-GOEBONIOSA-N 2 1 276.424 2.409 20 0 CEADMP Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1C ZINC000289548540 197397683 /nfs/dbraw/zinc/39/76/83/197397683.db2.gz OQXCECHMKQKPCO-GOEBONIOSA-N 2 1 276.424 2.409 20 0 CEADMP CCc1noc([C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000333866489 205785276 /nfs/dbraw/zinc/78/52/76/205785276.db2.gz RAIQTOZEBRIVGD-YPMHNXCESA-N 2 1 278.400 2.157 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000371749278 373967016 /nfs/dbraw/zinc/96/70/16/373967016.db2.gz YOYASQYBJRGPLI-LSDHHAIUSA-N 2 1 263.385 2.129 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353670271 220244538 /nfs/dbraw/zinc/24/45/38/220244538.db2.gz KUHAMNHIOGGYHE-XSLAGTTESA-N 2 1 288.435 2.052 20 0 CEADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCCC3CCOCC3)[C@H]2C1 ZINC000372129579 374050016 /nfs/dbraw/zinc/05/00/16/374050016.db2.gz YDIMMGVGHRCSTG-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CC[C@@H]2CC[NH+](CCCC3CCOCC3)[C@H]2C1 ZINC000372129579 374050025 /nfs/dbraw/zinc/05/00/25/374050025.db2.gz YDIMMGVGHRCSTG-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@H]2CC[N@H+](CCCC3CCOCC3)[C@H]2C1 ZINC000372129579 374050029 /nfs/dbraw/zinc/05/00/29/374050029.db2.gz YDIMMGVGHRCSTG-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCCC3CCOCC3)[C@H]2C1 ZINC000372129579 374050032 /nfs/dbraw/zinc/05/00/32/374050032.db2.gz YDIMMGVGHRCSTG-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1c([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)cnn1C ZINC000372321384 374095409 /nfs/dbraw/zinc/09/54/09/374095409.db2.gz KXXJJNNXDTUDDO-INIZCTEOSA-N 2 1 276.428 2.351 20 0 CEADMP Cc1c([C@@H]2CCC[N@H+]2CCC[NH+]2CCCC2)cnn1C ZINC000372321384 374095415 /nfs/dbraw/zinc/09/54/15/374095415.db2.gz KXXJJNNXDTUDDO-INIZCTEOSA-N 2 1 276.428 2.351 20 0 CEADMP Cn1cc([C@@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)cn1 ZINC000372825476 374207451 /nfs/dbraw/zinc/20/74/51/374207451.db2.gz QVPDOKJHEWTNAU-OAHLLOKOSA-N 2 1 276.428 2.085 20 0 CEADMP Cn1cc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)cn1 ZINC000372825476 374207460 /nfs/dbraw/zinc/20/74/60/374207460.db2.gz QVPDOKJHEWTNAU-OAHLLOKOSA-N 2 1 276.428 2.085 20 0 CEADMP COC[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000372834453 374208501 /nfs/dbraw/zinc/20/85/01/374208501.db2.gz CDVWBUGVUHKWQT-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC1=CCCC1 ZINC000645837979 374214748 /nfs/dbraw/zinc/21/47/48/374214748.db2.gz XGYZNHBPJMOYCM-OAGGEKHMSA-N 2 1 264.413 2.280 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC[C@H]1CCOC1 ZINC000645837821 374215930 /nfs/dbraw/zinc/21/59/30/374215930.db2.gz FZHNWGHLLAYLTD-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC[C@H]1CCOC1 ZINC000645837821 374215933 /nfs/dbraw/zinc/21/59/33/374215933.db2.gz FZHNWGHLLAYLTD-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H](CO)C1 ZINC000372885388 374218085 /nfs/dbraw/zinc/21/80/85/374218085.db2.gz VZMLIQOLGLQVLD-HNNXBMFYSA-N 2 1 265.401 2.066 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H](CO)C1 ZINC000372885388 374218092 /nfs/dbraw/zinc/21/80/92/374218092.db2.gz VZMLIQOLGLQVLD-HNNXBMFYSA-N 2 1 265.401 2.066 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H](CO)C1 ZINC000372885395 374218546 /nfs/dbraw/zinc/21/85/46/374218546.db2.gz VZMLIQOLGLQVLD-OAHLLOKOSA-N 2 1 265.401 2.066 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H](CO)C1 ZINC000372885395 374218553 /nfs/dbraw/zinc/21/85/53/374218553.db2.gz VZMLIQOLGLQVLD-OAHLLOKOSA-N 2 1 265.401 2.066 20 0 CEADMP OC(C[NH+]1CCC[C@H]1C1CC1)C[N@H+]1CCC[C@H]1C1CC1 ZINC000373144167 374277835 /nfs/dbraw/zinc/27/78/35/374277835.db2.gz BAJOERVPAADFIT-IRXDYDNUSA-N 2 1 278.440 2.096 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000373032868 374247664 /nfs/dbraw/zinc/24/76/64/374247664.db2.gz DIUKWMOUQOLEQK-CQSZACIVSA-N 2 1 292.471 2.461 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000373032868 374247670 /nfs/dbraw/zinc/24/76/70/374247670.db2.gz DIUKWMOUQOLEQK-CQSZACIVSA-N 2 1 292.471 2.461 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H](CCO)c1ccc(OC)cc1 ZINC000276986082 374370994 /nfs/dbraw/zinc/37/09/94/374370994.db2.gz ZFLYFIOHECYJKA-QGZVFWFLSA-N 2 1 294.439 2.440 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000334141790 206059453 /nfs/dbraw/zinc/05/94/53/206059453.db2.gz LTBZWRPZYHLDFJ-AAEUAGOBSA-N 2 1 271.364 2.110 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnn(C)c1C ZINC000277168863 374423933 /nfs/dbraw/zinc/42/39/33/374423933.db2.gz KOZCAOMHTFPOFP-UHFFFAOYSA-N 2 1 289.427 2.400 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnn(C)c1C ZINC000277168863 374423936 /nfs/dbraw/zinc/42/39/36/374423936.db2.gz KOZCAOMHTFPOFP-UHFFFAOYSA-N 2 1 289.427 2.400 20 0 CEADMP C[C@H](c1cnccn1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074461 374482423 /nfs/dbraw/zinc/48/24/23/374482423.db2.gz KSBGPLOQPGHCLW-CQSZACIVSA-N 2 1 274.412 2.345 20 0 CEADMP CC1CCC(O)(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000334183174 206156383 /nfs/dbraw/zinc/15/63/83/206156383.db2.gz FLHPOGPYJNQNEW-HXGYVLDSSA-N 2 1 280.456 2.485 20 0 CEADMP CC1CCC(O)(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000334183174 206156384 /nfs/dbraw/zinc/15/63/84/206156384.db2.gz FLHPOGPYJNQNEW-HXGYVLDSSA-N 2 1 280.456 2.485 20 0 CEADMP CC1CCC(O)(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000334183174 206156389 /nfs/dbraw/zinc/15/63/89/206156389.db2.gz FLHPOGPYJNQNEW-HXGYVLDSSA-N 2 1 280.456 2.485 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CC[C@@H]([C@@H]4CCOC4)C3)cn2)cn1 ZINC000374409079 374564334 /nfs/dbraw/zinc/56/43/34/374564334.db2.gz BHZQHQBSNMOICU-HZPDHXFCSA-N 2 1 298.390 2.126 20 0 CEADMP Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1Cl ZINC000277647519 374592911 /nfs/dbraw/zinc/59/29/11/374592911.db2.gz FCRCUXLONYMIOE-AWEZNQCLSA-N 2 1 282.815 2.195 20 0 CEADMP CC(C)c1nccn1C[C@H]1CCC[N@H+]1[C@@H]1CCOC1 ZINC000375829256 374679862 /nfs/dbraw/zinc/67/98/62/374679862.db2.gz IVXVPCISZMCLLU-ZIAGYGMSSA-N 2 1 263.385 2.260 20 0 CEADMP COC(=O)C(C)(C)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000375871958 374687675 /nfs/dbraw/zinc/68/76/75/374687675.db2.gz DSGFAOXEYDDIRQ-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)C(C)(C)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000375871958 374687678 /nfs/dbraw/zinc/68/76/78/374687678.db2.gz DSGFAOXEYDDIRQ-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2cnccn2)CC1 ZINC000376997577 374772663 /nfs/dbraw/zinc/77/26/63/374772663.db2.gz NDPKZUHGIRIIAR-UHFFFAOYSA-N 2 1 285.395 2.251 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H](OC)C1)[NH+]1CCCC1 ZINC000684368935 541985230 /nfs/dbraw/zinc/98/52/30/541985230.db2.gz HKDYHQUHCPJTQD-RBSFLKMASA-N 2 1 254.418 2.408 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000278359138 374793469 /nfs/dbraw/zinc/79/34/69/374793469.db2.gz ISCAFBLCOSBGII-KBPBESRZSA-N 2 1 265.376 2.492 20 0 CEADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000378207202 375043598 /nfs/dbraw/zinc/04/35/98/375043598.db2.gz CAFZURGSKQGZJJ-KBPBESRZSA-N 2 1 292.427 2.153 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](CC(N)=O)c1ccccc1 ZINC000280227187 375135774 /nfs/dbraw/zinc/13/57/74/375135774.db2.gz AETNWIOMHOSIKF-CVEARBPZSA-N 2 1 289.423 2.019 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](CC(N)=O)c1ccccc1 ZINC000280227187 375135778 /nfs/dbraw/zinc/13/57/78/375135778.db2.gz AETNWIOMHOSIKF-CVEARBPZSA-N 2 1 289.423 2.019 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](CC(N)=O)c1ccccc1 ZINC000280227187 375135783 /nfs/dbraw/zinc/13/57/83/375135783.db2.gz AETNWIOMHOSIKF-CVEARBPZSA-N 2 1 289.423 2.019 20 0 CEADMP c1ccc2c(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)ccnc2c1 ZINC000380274304 375161587 /nfs/dbraw/zinc/16/15/87/375161587.db2.gz YSTAKOHHDPUIDP-KRWDZBQOSA-N 2 1 267.376 2.420 20 0 CEADMP [NH3+][C@@H]1CCC[C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000380897453 375167638 /nfs/dbraw/zinc/16/76/38/375167638.db2.gz APHDGFTWKJQPDG-KURKYZTESA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000380897453 375167644 /nfs/dbraw/zinc/16/76/44/375167644.db2.gz APHDGFTWKJQPDG-KURKYZTESA-N 3 1 287.451 2.368 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000380897453 375167652 /nfs/dbraw/zinc/16/76/52/375167652.db2.gz APHDGFTWKJQPDG-KURKYZTESA-N 3 1 287.451 2.368 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000382343631 375185021 /nfs/dbraw/zinc/18/50/21/375185021.db2.gz CRKQDJYTNXQCSD-GRYCIOLGSA-N 2 1 280.334 2.028 20 0 CEADMP CCN(CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000382875436 375193112 /nfs/dbraw/zinc/19/31/12/375193112.db2.gz KFYLKAQMRSVJQR-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H](C[NH3+])[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000383019587 375197917 /nfs/dbraw/zinc/19/79/17/375197917.db2.gz OAWIJKOJSYVHCS-NSHDSACASA-N 2 1 256.777 2.388 20 0 CEADMP C[C@@H](C[NH3+])[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000383019587 375197925 /nfs/dbraw/zinc/19/79/25/375197925.db2.gz OAWIJKOJSYVHCS-NSHDSACASA-N 2 1 256.777 2.388 20 0 CEADMP COC(=O)CC1([NH2+]CCCn2cc[nH+]c2C)CCCC1 ZINC000280455485 375208105 /nfs/dbraw/zinc/20/81/05/375208105.db2.gz NZMLLRLSKXZDRR-UHFFFAOYSA-N 2 1 279.384 2.047 20 0 CEADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000388267008 375286548 /nfs/dbraw/zinc/28/65/48/375286548.db2.gz CTFGXQPNLQMFFW-ATGSNQNLSA-N 2 1 252.402 2.016 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389938890 375310586 /nfs/dbraw/zinc/31/05/86/375310586.db2.gz OVFBFZGNCPRMMM-RDJZCZTQSA-N 2 1 284.407 2.148 20 0 CEADMP C[C@H](NCC[N@@H+](C)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000386903313 375267474 /nfs/dbraw/zinc/26/74/74/375267474.db2.gz OZGSRHJAFKWGGQ-DOTOQJQBSA-N 2 1 275.440 2.239 20 0 CEADMP C[C@@H](NCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000386903317 375269800 /nfs/dbraw/zinc/26/98/00/375269800.db2.gz OZGSRHJAFKWGGQ-WBVHZDCISA-N 2 1 275.440 2.239 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)C(C)(C)C ZINC000399523748 375366352 /nfs/dbraw/zinc/36/63/52/375366352.db2.gz RMCGUXURMZTZMA-KBPBESRZSA-N 2 1 258.450 2.302 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](C)C(C)(C)C ZINC000399523748 375366359 /nfs/dbraw/zinc/36/63/59/375366359.db2.gz RMCGUXURMZTZMA-KBPBESRZSA-N 2 1 258.450 2.302 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000399523748 375366366 /nfs/dbraw/zinc/36/63/66/375366366.db2.gz RMCGUXURMZTZMA-KBPBESRZSA-N 2 1 258.450 2.302 20 0 CEADMP Cc1cccc(CC[NH2+]C(C)(C)C[NH+]2CCCC2)n1 ZINC000399775934 375368277 /nfs/dbraw/zinc/36/82/77/375368277.db2.gz IGUJAGLOPAEJCN-UHFFFAOYSA-N 2 1 261.413 2.397 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411926041 375538119 /nfs/dbraw/zinc/53/81/19/375538119.db2.gz OOUKYNHJXVNYOJ-ZACQAIPSSA-N 2 1 274.408 2.279 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411926041 375538128 /nfs/dbraw/zinc/53/81/28/375538128.db2.gz OOUKYNHJXVNYOJ-ZACQAIPSSA-N 2 1 274.408 2.279 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411926041 375538135 /nfs/dbraw/zinc/53/81/35/375538135.db2.gz OOUKYNHJXVNYOJ-ZACQAIPSSA-N 2 1 274.408 2.279 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)no1 ZINC000282834047 375588646 /nfs/dbraw/zinc/58/86/46/375588646.db2.gz SKGICGHDRKEOAA-JQWIXIFHSA-N 2 1 262.357 2.475 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000414135893 375797451 /nfs/dbraw/zinc/79/74/51/375797451.db2.gz FAWSFFIYUIECLW-XLWJZTARSA-N 2 1 252.402 2.016 20 0 CEADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000414280800 375819290 /nfs/dbraw/zinc/81/92/90/375819290.db2.gz ADGPISHXOYQBFS-USXIJHARSA-N 2 1 292.398 2.118 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414772026 375960916 /nfs/dbraw/zinc/96/09/16/375960916.db2.gz BCSKJZNKVIRUMU-GJZGRUSLSA-N 2 1 289.423 2.220 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000414770994 375961927 /nfs/dbraw/zinc/96/19/27/375961927.db2.gz OPHJALZXWJFBHX-LUKYLMHMSA-N 2 1 256.393 2.474 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414772028 375962213 /nfs/dbraw/zinc/96/22/13/375962213.db2.gz BCSKJZNKVIRUMU-HUUCEWRRSA-N 2 1 289.423 2.220 20 0 CEADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414796397 375980943 /nfs/dbraw/zinc/98/09/43/375980943.db2.gz AGOWWYJQJMLIDN-ABAIWWIYSA-N 2 1 250.361 2.474 20 0 CEADMP [NH3+]CCC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000414689476 375919387 /nfs/dbraw/zinc/91/93/87/375919387.db2.gz GLBMQOWOJBXDCS-HNNXBMFYSA-N 2 1 266.360 2.156 20 0 CEADMP [NH3+]CCC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000414689476 375919391 /nfs/dbraw/zinc/91/93/91/375919391.db2.gz GLBMQOWOJBXDCS-HNNXBMFYSA-N 2 1 266.360 2.156 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414695307 375922503 /nfs/dbraw/zinc/92/25/03/375922503.db2.gz FHLZNSSAJUOBGP-DZGCQCFKSA-N 2 1 290.407 2.293 20 0 CEADMP [NH3+]CCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000414702557 375930602 /nfs/dbraw/zinc/93/06/02/375930602.db2.gz IPSPRVLKHFJFJL-CYBMUJFWSA-N 2 1 250.411 2.449 20 0 CEADMP Cc1ccc(C[N@H+](CCO)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414705585 375931528 /nfs/dbraw/zinc/93/15/28/375931528.db2.gz FNABECRMQKTTLB-WBVHZDCISA-N 2 1 276.424 2.177 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)CCc2ccccc2O)CC[NH2+]1 ZINC000414713295 375936933 /nfs/dbraw/zinc/93/69/33/375936933.db2.gz ONQXRAJKCHWZCE-ZIAGYGMSSA-N 2 1 262.397 2.255 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414715785 375938745 /nfs/dbraw/zinc/93/87/45/375938745.db2.gz XPFISZCLXUAMCS-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP CCCN1CCC([N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414715785 375938750 /nfs/dbraw/zinc/93/87/50/375938750.db2.gz XPFISZCLXUAMCS-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP CCCN1CCC([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414715785 375938754 /nfs/dbraw/zinc/93/87/54/375938754.db2.gz XPFISZCLXUAMCS-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414756777 375951033 /nfs/dbraw/zinc/95/10/33/375951033.db2.gz KDRYYOXRWGHJIF-YQQAZPJKSA-N 2 1 296.455 2.286 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414756776 375951070 /nfs/dbraw/zinc/95/10/70/375951070.db2.gz KDRYYOXRWGHJIF-HLLBOEOZSA-N 2 1 296.455 2.286 20 0 CEADMP C[NH2+]CC[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414821359 376009551 /nfs/dbraw/zinc/00/95/51/376009551.db2.gz DVGCTWVKHNKQJZ-SECBINFHSA-N 2 1 289.192 2.328 20 0 CEADMP Cc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415061960 376019618 /nfs/dbraw/zinc/01/96/18/376019618.db2.gz ZLIRSBKPRRTYOD-UHFFFAOYSA-N 2 1 287.451 2.301 20 0 CEADMP C[C@@H]1C[C@@H](CN2CC[N@@H+](C)Cc3ccccc32)CC[NH2+]1 ZINC000415092443 376019704 /nfs/dbraw/zinc/01/97/04/376019704.db2.gz ANBZUMGWXLUIAJ-CABCVRRESA-N 2 1 273.424 2.327 20 0 CEADMP FC(F)Oc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000414797568 375983105 /nfs/dbraw/zinc/98/31/05/375983105.db2.gz ZKGUTAIUOKUJEJ-UHFFFAOYSA-N 2 1 256.296 2.130 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000414801866 375987931 /nfs/dbraw/zinc/98/79/31/375987931.db2.gz UXLIUNUGDGTMEQ-CQSZACIVSA-N 2 1 261.344 2.447 20 0 CEADMP COc1ccccc1[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261874610 190045457 /nfs/dbraw/zinc/04/54/57/190045457.db2.gz XSVFPSDSMFUEIH-OAHLLOKOSA-N 2 1 274.408 2.484 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](CC(C)C)OC)C1 ZINC000419215415 376397598 /nfs/dbraw/zinc/39/75/98/376397598.db2.gz LWQUVQJLIQCQME-CABCVRRESA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](CC(C)C)OC)C1 ZINC000419215415 376397604 /nfs/dbraw/zinc/39/76/04/376397604.db2.gz LWQUVQJLIQCQME-CABCVRRESA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](CC(C)C)OC)C1 ZINC000419215415 376397611 /nfs/dbraw/zinc/39/76/11/376397611.db2.gz LWQUVQJLIQCQME-CABCVRRESA-N 2 1 256.434 2.321 20 0 CEADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000556951999 376524395 /nfs/dbraw/zinc/52/43/95/376524395.db2.gz LOOHIZQVQNBTCJ-WFASDCNBSA-N 2 1 293.386 2.275 20 0 CEADMP CC[C@@H](C(=O)N1CCC[N@@H+](C)C[C@@H]1CC)[NH+](CC)CC ZINC000684867929 542081988 /nfs/dbraw/zinc/08/19/88/542081988.db2.gz TXSJKNINRWTJIK-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP C[C@H](C[N@H+](C)C[C@H](O)C[NH+](C)C1CC1)c1ccccc1 ZINC000289926080 376561753 /nfs/dbraw/zinc/56/17/53/376561753.db2.gz OVDMWPUJEHGECA-PBHICJAKSA-N 2 1 276.424 2.177 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1)c1ccccc1 ZINC000289926080 376561757 /nfs/dbraw/zinc/56/17/57/376561757.db2.gz OVDMWPUJEHGECA-PBHICJAKSA-N 2 1 276.424 2.177 20 0 CEADMP C[C@H](C[NH+](C)C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289926080 376561764 /nfs/dbraw/zinc/56/17/64/376561764.db2.gz OVDMWPUJEHGECA-PBHICJAKSA-N 2 1 276.424 2.177 20 0 CEADMP C[C@H](C[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289926080 376561768 /nfs/dbraw/zinc/56/17/68/376561768.db2.gz OVDMWPUJEHGECA-PBHICJAKSA-N 2 1 276.424 2.177 20 0 CEADMP Cc1ccoc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334316380 206358309 /nfs/dbraw/zinc/35/83/09/206358309.db2.gz OVTYTZWFPPJTPJ-HZPDHXFCSA-N 2 1 291.439 2.046 20 0 CEADMP Cc1ccoc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334316380 206358314 /nfs/dbraw/zinc/35/83/14/206358314.db2.gz OVTYTZWFPPJTPJ-HZPDHXFCSA-N 2 1 291.439 2.046 20 0 CEADMP Cc1[nH+]ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1Cl ZINC000684889159 542083430 /nfs/dbraw/zinc/08/34/30/542083430.db2.gz CPIKEXZZNZUHKW-GXTWGEPZSA-N 2 1 295.814 2.079 20 0 CEADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000557655580 376574186 /nfs/dbraw/zinc/57/41/86/376574186.db2.gz BAYOFTFEALGCHU-MRXNPFEDSA-N 2 1 297.487 2.155 20 0 CEADMP CCOCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309964253 376610824 /nfs/dbraw/zinc/61/08/24/376610824.db2.gz KAOVMSGYEYKVTN-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP CCOCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309964253 376610832 /nfs/dbraw/zinc/61/08/32/376610832.db2.gz KAOVMSGYEYKVTN-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP CCOCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309964253 376610843 /nfs/dbraw/zinc/61/08/43/376610843.db2.gz KAOVMSGYEYKVTN-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]C(C)(C)CCc1ccccc1)C1CC1 ZINC000290093251 376638814 /nfs/dbraw/zinc/63/88/14/376638814.db2.gz WAQUTFCAGCLSRI-QGZVFWFLSA-N 2 1 290.451 2.443 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)CCc1ccccc1)C1CC1 ZINC000290093251 376638817 /nfs/dbraw/zinc/63/88/17/376638817.db2.gz WAQUTFCAGCLSRI-QGZVFWFLSA-N 2 1 290.451 2.443 20 0 CEADMP COc1c(C)c[nH+]c(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1C ZINC000420384445 376683141 /nfs/dbraw/zinc/68/31/41/376683141.db2.gz DTYVGSPTSDAXMF-OKILXGFUSA-N 2 1 275.396 2.033 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420387093 376686924 /nfs/dbraw/zinc/68/69/24/376686924.db2.gz GKBSMMGIHDAWKL-HOTGVXAUSA-N 3 1 267.461 2.182 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420387093 376686935 /nfs/dbraw/zinc/68/69/35/376686935.db2.gz GKBSMMGIHDAWKL-HOTGVXAUSA-N 3 1 267.461 2.182 20 0 CEADMP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000312039112 376700211 /nfs/dbraw/zinc/70/02/11/376700211.db2.gz QFGWGSBASNHUOZ-RRFJBIMHSA-N 2 1 264.413 2.162 20 0 CEADMP COc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)n1 ZINC000290320837 376731793 /nfs/dbraw/zinc/73/17/93/376731793.db2.gz CYOXPQBRPFFGEP-UKRRQHHQSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)n1 ZINC000290320837 376731803 /nfs/dbraw/zinc/73/18/03/376731803.db2.gz CYOXPQBRPFFGEP-UKRRQHHQSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000290320837 376731811 /nfs/dbraw/zinc/73/18/11/376731811.db2.gz CYOXPQBRPFFGEP-UKRRQHHQSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000290320837 376731822 /nfs/dbraw/zinc/73/18/22/376731822.db2.gz CYOXPQBRPFFGEP-UKRRQHHQSA-N 2 1 275.396 2.006 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000314138142 376765431 /nfs/dbraw/zinc/76/54/31/376765431.db2.gz FXBSMSUCNRSJCN-XHSDSOJGSA-N 2 1 295.471 2.084 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000314138142 376765441 /nfs/dbraw/zinc/76/54/41/376765441.db2.gz FXBSMSUCNRSJCN-XHSDSOJGSA-N 2 1 295.471 2.084 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCCCCC2)CCCO1 ZINC000313377045 376745117 /nfs/dbraw/zinc/74/51/17/376745117.db2.gz MKJDCNNGLBNRIN-OAHLLOKOSA-N 2 1 254.418 2.397 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)ncn3C)C1 ZINC000561100398 376791200 /nfs/dbraw/zinc/79/12/00/376791200.db2.gz WQZZJMJTEGDDIM-OAHLLOKOSA-N 2 1 286.423 2.393 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC000319605093 376817112 /nfs/dbraw/zinc/81/71/12/376817112.db2.gz JYNDSBDZUKTKAI-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H]([NH2+]CCOc1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422936653 376864554 /nfs/dbraw/zinc/86/45/54/376864554.db2.gz FMMFOKPBAHXOHJ-GJZGRUSLSA-N 2 1 266.360 2.325 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(OCCO)cc2)c2ccccc21 ZINC000422936289 376864969 /nfs/dbraw/zinc/86/49/69/376864969.db2.gz BGFPALHBMLNTHS-ZWKOTPCHSA-N 2 1 298.386 2.292 20 0 CEADMP CCOCCC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCC1 ZINC000422948052 376871652 /nfs/dbraw/zinc/87/16/52/376871652.db2.gz ZHYCKGOSNVJJGI-UONOGXRCSA-N 2 1 254.418 2.171 20 0 CEADMP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422950826 376873561 /nfs/dbraw/zinc/87/35/61/376873561.db2.gz ZCYKJHMLSRTKHZ-NHYWBVRUSA-N 2 1 260.381 2.270 20 0 CEADMP C[C@H]([NH2+]CCc1nc2c(s1)CCCC2)[C@H]1CCC[NH2+]1 ZINC000422957410 376881746 /nfs/dbraw/zinc/88/17/46/376881746.db2.gz TYTDKEYNMBSQBY-NWDGAFQWSA-N 2 1 279.453 2.295 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000422995654 376913196 /nfs/dbraw/zinc/91/31/96/376913196.db2.gz YQCLUUCCGSDXPZ-FGYQQCIJSA-N 2 1 256.393 2.160 20 0 CEADMP C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000423069275 376959578 /nfs/dbraw/zinc/95/95/78/376959578.db2.gz DMRHBZLBBNIQFS-BPLDGKMQSA-N 2 1 254.418 2.048 20 0 CEADMP C[C@H](NCC[N@H+]1CCCC(C)(C)C1)[C@H]1CCCC[NH2+]1 ZINC000423074354 376966779 /nfs/dbraw/zinc/96/67/79/376966779.db2.gz LIKIMWDACSKNAJ-LSDHHAIUSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000423077496 376969310 /nfs/dbraw/zinc/96/93/10/376969310.db2.gz UBQSGGHGHBSDMB-HUUCEWRRSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000423077496 376969312 /nfs/dbraw/zinc/96/93/12/376969312.db2.gz UBQSGGHGHBSDMB-HUUCEWRRSA-N 2 1 267.461 2.086 20 0 CEADMP COC[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000423119143 377015476 /nfs/dbraw/zinc/01/54/76/377015476.db2.gz BHEGLCPSOBQCOJ-CQSZACIVSA-N 2 1 268.788 2.369 20 0 CEADMP C[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)[C@@H]1CCC[NH2+]1 ZINC000423124730 377021893 /nfs/dbraw/zinc/02/18/93/377021893.db2.gz HDTWGFJJXURZOG-JQWIXIFHSA-N 2 1 287.329 2.373 20 0 CEADMP CO[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Cc1ccccc1 ZINC000423150667 377051853 /nfs/dbraw/zinc/05/18/53/377051853.db2.gz BSBKPRYPYGYYJP-DZGCQCFKSA-N 2 1 285.391 2.402 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)C1CCCC1 ZINC000562962836 377037508 /nfs/dbraw/zinc/03/75/08/377037508.db2.gz OAMPYCUZLLQSFL-OTTFEQOBSA-N 2 1 294.361 2.330 20 0 CEADMP CSC[C@H](O)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000562988796 377046722 /nfs/dbraw/zinc/04/67/22/377046722.db2.gz STTOLMZEFNSYIO-QLFBSQMISA-N 2 1 288.501 2.058 20 0 CEADMP C[C@@H]([NH2+]C[C@H](CO)CC1CCCC1)c1c[nH+]ccc1N ZINC000423095575 376987177 /nfs/dbraw/zinc/98/71/77/376987177.db2.gz FNHPBTQIRMWPFC-TZMCWYRMSA-N 2 1 277.412 2.334 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423095452 376989150 /nfs/dbraw/zinc/98/91/50/376989150.db2.gz MGUNMAWFFIKCGK-SQWLQELKSA-N 2 1 267.461 2.499 20 0 CEADMP CC[C@H]([NH2+]C[C@@](C)(CO)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423105344 376998556 /nfs/dbraw/zinc/99/85/56/376998556.db2.gz IEVYSYOVPPVESE-ULQDDVLXSA-N 2 1 276.424 2.057 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423110041 377001791 /nfs/dbraw/zinc/00/17/91/377001791.db2.gz OMKZBYGTSXSQIM-BPQIPLTHSA-N 2 1 289.467 2.409 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CN(C)C)c1ccc(F)cc1 ZINC000423115538 377011216 /nfs/dbraw/zinc/01/12/16/377011216.db2.gz YEXZDZMIBFCTNG-HUBLWGQQSA-N 2 1 267.392 2.144 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000423204581 377120559 /nfs/dbraw/zinc/12/05/59/377120559.db2.gz UWGMXIGACZBTFX-CYBMUJFWSA-N 2 1 252.333 2.239 20 0 CEADMP Cc1ccncc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423152516 377054473 /nfs/dbraw/zinc/05/44/73/377054473.db2.gz LRFGTABPUAATNE-YOEHRIQHSA-N 2 1 269.392 2.438 20 0 CEADMP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H](O)C(F)F ZINC000423160351 377064569 /nfs/dbraw/zinc/06/45/69/377064569.db2.gz QPWHTYPFSXGSNM-WUHRBBMRSA-N 2 1 270.323 2.125 20 0 CEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423171825 377079977 /nfs/dbraw/zinc/07/99/77/377079977.db2.gz QCYGWWSSSYRULJ-QCODTGAPSA-N 2 1 266.429 2.168 20 0 CEADMP COc1cc(OC)c([C@H](C)[NH2+]CCC[NH3+])cc1Cl ZINC000423186757 377099371 /nfs/dbraw/zinc/09/93/71/377099371.db2.gz XEETURJRBXDIRW-VIFPVBQESA-N 2 1 272.776 2.357 20 0 CEADMP Fc1cccc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563149573 377106626 /nfs/dbraw/zinc/10/66/26/377106626.db2.gz CMHHIWYYFJMEJI-INIZCTEOSA-N 2 1 278.371 2.280 20 0 CEADMP Fc1cccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563149573 377106633 /nfs/dbraw/zinc/10/66/33/377106633.db2.gz CMHHIWYYFJMEJI-INIZCTEOSA-N 2 1 278.371 2.280 20 0 CEADMP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000423218833 377133844 /nfs/dbraw/zinc/13/38/44/377133844.db2.gz VCTNNAQFMWTDJT-HOTGVXAUSA-N 2 1 262.397 2.179 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(C)c1OC ZINC000423230324 377149109 /nfs/dbraw/zinc/14/91/09/377149109.db2.gz DIYZSOVGORSWJD-WFASDCNBSA-N 2 1 292.423 2.285 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423274752 377196869 /nfs/dbraw/zinc/19/68/69/377196869.db2.gz MHWLHHMMGHHVMI-RHSMWYFYSA-N 3 1 293.455 2.261 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C12CCCCC2 ZINC000423236943 377155609 /nfs/dbraw/zinc/15/56/09/377155609.db2.gz PIQDPXUNJQSDCQ-RBSFLKMASA-N 2 1 266.429 2.456 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1(CC)CC ZINC000423237859 377158293 /nfs/dbraw/zinc/15/82/93/377158293.db2.gz QGBPKBSNFHDCGO-MELADBBJSA-N 2 1 254.418 2.312 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@H]([NH3+])c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423241068 377160607 /nfs/dbraw/zinc/16/06/07/377160607.db2.gz CVSCADZSLLFSAD-QZWWFDLISA-N 2 1 273.424 2.149 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423274623 377197144 /nfs/dbraw/zinc/19/71/44/377197144.db2.gz MEGJTOPZJYADKI-LSDHHAIUSA-N 2 1 293.455 2.133 20 0 CEADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423275307 377197526 /nfs/dbraw/zinc/19/75/26/377197526.db2.gz LOVIXNJVJAJMAT-HOTGVXAUSA-N 2 1 280.387 2.100 20 0 CEADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423273842 377197954 /nfs/dbraw/zinc/19/79/54/377197954.db2.gz JPGKRGOBKDJLIM-HOTGVXAUSA-N 2 1 260.381 2.400 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)CCC1CCOCC1 ZINC000563348837 377178139 /nfs/dbraw/zinc/17/81/39/377178139.db2.gz CNGVHJKHXUIUMH-UHFFFAOYSA-N 2 1 265.401 2.101 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCC1CCOCC1 ZINC000563348837 377178144 /nfs/dbraw/zinc/17/81/44/377178144.db2.gz CNGVHJKHXUIUMH-UHFFFAOYSA-N 2 1 265.401 2.101 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc(OC)c1OC ZINC000423260424 377178489 /nfs/dbraw/zinc/17/84/89/377178489.db2.gz HKARTXBDIMECBA-YPMHNXCESA-N 2 1 296.411 2.346 20 0 CEADMP C[C@@H]1C[C@H](NCC[NH2+]C2CCCCCC2)CC[N@H+]1C ZINC000423274981 377198119 /nfs/dbraw/zinc/19/81/19/377198119.db2.gz LCWYYPHAQTWEEN-GDBMZVCRSA-N 2 1 267.461 2.371 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000423258818 377179131 /nfs/dbraw/zinc/17/91/31/377179131.db2.gz COMWIBGBSXQMIT-HIFRSBDPSA-N 2 1 287.411 2.291 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423265051 377181198 /nfs/dbraw/zinc/18/11/98/377181198.db2.gz QOZLNKHRXYINIQ-GJZGRUSLSA-N 2 1 262.397 2.343 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000423265820 377185253 /nfs/dbraw/zinc/18/52/53/377185253.db2.gz CRADTQNOMIQMOH-BXUZGUMPSA-N 2 1 270.804 2.473 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000423280593 377208105 /nfs/dbraw/zinc/20/81/05/377208105.db2.gz UVKWELWUQTUTIX-NWDGAFQWSA-N 2 1 260.385 2.079 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000423301146 377230137 /nfs/dbraw/zinc/23/01/37/377230137.db2.gz SOPOKEZURHTUBP-HZSPNIEDSA-N 2 1 254.418 2.441 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423304379 377232515 /nfs/dbraw/zinc/23/25/15/377232515.db2.gz YNQKIHHTYSEZIU-CABCVRRESA-N 2 1 262.397 2.487 20 0 CEADMP CCC[NH2+]CC[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000423307710 377237080 /nfs/dbraw/zinc/23/70/80/377237080.db2.gz HRMVJJGUXFGNJM-KBPBESRZSA-N 2 1 256.434 2.415 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000423317509 377247589 /nfs/dbraw/zinc/24/75/89/377247589.db2.gz BPUZHFNRQVZXHO-OWCLPIDISA-N 2 1 295.471 2.145 20 0 CEADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]([NH3+])C(C)C)CCC2 ZINC000423277077 377202714 /nfs/dbraw/zinc/20/27/14/377202714.db2.gz PCHJSTBHVRUUER-WDEREUQCSA-N 2 1 253.415 2.402 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CCCCC1)C1CC1 ZINC000563881072 377312261 /nfs/dbraw/zinc/31/22/61/377312261.db2.gz DLALGBQTGSNARG-UAGQMJEPSA-N 2 1 280.456 2.248 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CCCCC1)C1CC1 ZINC000563881072 377312268 /nfs/dbraw/zinc/31/22/68/377312268.db2.gz DLALGBQTGSNARG-UAGQMJEPSA-N 2 1 280.456 2.248 20 0 CEADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)CN(C)C2CC2)cc1 ZINC000685570921 542159503 /nfs/dbraw/zinc/15/95/03/542159503.db2.gz RBVQEROGRSHKPE-CJNGLKHVSA-N 2 1 292.423 2.191 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000292910551 377345379 /nfs/dbraw/zinc/34/53/79/377345379.db2.gz FJGZFVJXJSXEAV-INIZCTEOSA-N 2 1 291.439 2.426 20 0 CEADMP COc1cc(F)c(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000565080131 377553513 /nfs/dbraw/zinc/55/35/13/377553513.db2.gz UTTPIILKYHABRN-UHFFFAOYSA-N 2 1 294.370 2.194 20 0 CEADMP C[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)[N@H+]1CCCC[C@H]1C ZINC000430766784 377549980 /nfs/dbraw/zinc/54/99/80/377549980.db2.gz YRGVDOGVRKNAKL-KGLIPLIRSA-N 2 1 289.423 2.138 20 0 CEADMP CN(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166080452 542185877 /nfs/dbraw/zinc/18/58/77/542185877.db2.gz WFGOIQNWABASEI-NVXWUHKLSA-N 2 1 273.424 2.339 20 0 CEADMP Cc1cn[nH]c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000685834600 542188888 /nfs/dbraw/zinc/18/88/88/542188888.db2.gz JNZFJVCWGDUNRG-UHFFFAOYSA-N 2 1 264.417 2.270 20 0 CEADMP Cc1c[nH]nc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000685834600 542188890 /nfs/dbraw/zinc/18/88/90/542188890.db2.gz JNZFJVCWGDUNRG-UHFFFAOYSA-N 2 1 264.417 2.270 20 0 CEADMP Cc1c[nH]nc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000685834600 542188893 /nfs/dbraw/zinc/18/88/93/542188893.db2.gz JNZFJVCWGDUNRG-UHFFFAOYSA-N 2 1 264.417 2.270 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430925132 377567293 /nfs/dbraw/zinc/56/72/93/377567293.db2.gz KMAJIRLEMRAGFX-MRXNPFEDSA-N 2 1 297.402 2.441 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCO[C@@H]1c1ccccc1 ZINC000565164817 377581363 /nfs/dbraw/zinc/58/13/63/377581363.db2.gz OCBVHJWFYJVKPT-IAGOWNOFSA-N 2 1 285.391 2.473 20 0 CEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431098171 377600763 /nfs/dbraw/zinc/60/07/63/377600763.db2.gz FRWFUWQWWPCHNR-GHMZBOCLSA-N 2 1 266.389 2.274 20 0 CEADMP Cc1ncsc1CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172585168 249323923 /nfs/dbraw/zinc/32/39/23/249323923.db2.gz ZIVOPLQSIMDFDF-CYBMUJFWSA-N 2 1 267.442 2.268 20 0 CEADMP Cc1ncsc1CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000172585168 249323926 /nfs/dbraw/zinc/32/39/26/249323926.db2.gz ZIVOPLQSIMDFDF-CYBMUJFWSA-N 2 1 267.442 2.268 20 0 CEADMP Cc1ncsc1CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172585168 249323932 /nfs/dbraw/zinc/32/39/32/249323932.db2.gz ZIVOPLQSIMDFDF-CYBMUJFWSA-N 2 1 267.442 2.268 20 0 CEADMP CCC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1CC[NH2+]CC1 ZINC000431098230 377600269 /nfs/dbraw/zinc/60/02/69/377600269.db2.gz GEMJUGNARRTOCX-OAHLLOKOSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1CC[NH2+]CC1 ZINC000431098230 377600278 /nfs/dbraw/zinc/60/02/78/377600278.db2.gz GEMJUGNARRTOCX-OAHLLOKOSA-N 2 1 297.487 2.343 20 0 CEADMP Cc1cc(C)cc(OCCC[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313351532 249394754 /nfs/dbraw/zinc/39/47/54/249394754.db2.gz WZHSLSMGDZUEGT-QGZVFWFLSA-N 2 1 292.423 2.122 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000431555273 377651935 /nfs/dbraw/zinc/65/19/35/377651935.db2.gz FBWMCDWBQLQERH-HOTGVXAUSA-N 2 1 297.487 2.345 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC1CC(c2ccccc2)C1)C1CC1 ZINC000566129705 377732663 /nfs/dbraw/zinc/73/26/63/377732663.db2.gz LYKVULYTIQVUEL-PVARCSIZSA-N 2 1 288.435 2.225 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1CC(c2ccccc2)C1)C1CC1 ZINC000566129705 377732670 /nfs/dbraw/zinc/73/26/70/377732670.db2.gz LYKVULYTIQVUEL-PVARCSIZSA-N 2 1 288.435 2.225 20 0 CEADMP CC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000293815360 377770933 /nfs/dbraw/zinc/77/09/33/377770933.db2.gz VVVAGVNQLOJLNC-XLAORIBOSA-N 2 1 288.435 2.258 20 0 CEADMP CCC[N@@H+](CCC[NH2+]C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000435877909 377813118 /nfs/dbraw/zinc/81/31/18/377813118.db2.gz WDUOAWXTZSCVDV-MJBXVCDLSA-N 2 1 254.418 2.121 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000438119692 377888142 /nfs/dbraw/zinc/88/81/42/377888142.db2.gz KDZXEVVLRFRPTF-OAHLLOKOSA-N 2 1 277.412 2.101 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCC2(C)C)CC1(C)C ZINC000442872650 378011026 /nfs/dbraw/zinc/01/10/26/378011026.db2.gz JYMHBYJZIWAFLC-AWEZNQCLSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443060978 378031851 /nfs/dbraw/zinc/03/18/51/378031851.db2.gz QKDJZYVTTOBWJD-LSDHHAIUSA-N 2 1 289.423 2.383 20 0 CEADMP C[N@@H+](CCN1CC[C@@]2(CC[NH+](C)C2)C1)Cc1ccccc1 ZINC000295249787 378070192 /nfs/dbraw/zinc/07/01/92/378070192.db2.gz WKLCYMNPHMCSDW-GOSISDBHSA-N 2 1 287.451 2.146 20 0 CEADMP C[NH+](CCN1CC[C@@]2(CC[N@H+](C)C2)C1)Cc1ccccc1 ZINC000295249787 378070194 /nfs/dbraw/zinc/07/01/94/378070194.db2.gz WKLCYMNPHMCSDW-GOSISDBHSA-N 2 1 287.451 2.146 20 0 CEADMP C[NH+](CCN1CC[C@@]2(CC[N@@H+](C)C2)C1)Cc1ccccc1 ZINC000295249787 378070197 /nfs/dbraw/zinc/07/01/97/378070197.db2.gz WKLCYMNPHMCSDW-GOSISDBHSA-N 2 1 287.451 2.146 20 0 CEADMP O[C@H](C[NH+]1CC[C@H]2CCC[C@@H]21)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000447269046 378097544 /nfs/dbraw/zinc/09/75/44/378097544.db2.gz YRFSFRYVSHKQJX-QEOTZNIISA-N 2 1 278.440 2.096 20 0 CEADMP O[C@@H](C[NH+]1CC[C@@H]2CCC[C@@H]21)C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000447269046 378097548 /nfs/dbraw/zinc/09/75/48/378097548.db2.gz YRFSFRYVSHKQJX-QEOTZNIISA-N 2 1 278.440 2.096 20 0 CEADMP O[C@@H](C[NH+]1CC[C@@H]2CCC[C@@H]21)C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000447269046 378097555 /nfs/dbraw/zinc/09/75/55/378097555.db2.gz YRFSFRYVSHKQJX-QEOTZNIISA-N 2 1 278.440 2.096 20 0 CEADMP C[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000449322690 378201081 /nfs/dbraw/zinc/20/10/81/378201081.db2.gz YTHGHJOCOJIAHO-LVQVYYBASA-N 2 1 295.471 2.273 20 0 CEADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](F)C2)CC1 ZINC000449384256 378207621 /nfs/dbraw/zinc/20/76/21/378207621.db2.gz APDYASYHYFIVIF-INIZCTEOSA-N 2 1 291.414 2.372 20 0 CEADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](F)C2)CC1 ZINC000449384256 378207628 /nfs/dbraw/zinc/20/76/28/378207628.db2.gz APDYASYHYFIVIF-INIZCTEOSA-N 2 1 291.414 2.372 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC(C)(C)C2(O)CCCC2)CC1 ZINC000449735546 378225746 /nfs/dbraw/zinc/22/57/46/378225746.db2.gz IAVPLXUNAMQGIE-UHFFFAOYSA-N 2 1 298.471 2.018 20 0 CEADMP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450413365 378403119 /nfs/dbraw/zinc/40/31/19/378403119.db2.gz SXWQRWKPHOKKNN-CYBMUJFWSA-N 2 1 290.398 2.200 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450413365 378403124 /nfs/dbraw/zinc/40/31/24/378403124.db2.gz SXWQRWKPHOKKNN-CYBMUJFWSA-N 2 1 290.398 2.200 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000450859642 378619261 /nfs/dbraw/zinc/61/92/61/378619261.db2.gz MHYVQPLVCINMKY-QXSJWSMHSA-N 2 1 278.440 2.408 20 0 CEADMP c1cc2c(nc[nH+]c2N2CC[C@@H](C[NH+]3CCCCC3)C2)[nH]1 ZINC000266208011 190240488 /nfs/dbraw/zinc/24/04/88/190240488.db2.gz FNMMNCYUSMDMIM-ZDUSSCGKSA-N 2 1 285.395 2.270 20 0 CEADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C(C)(C)C ZINC000453095832 378800480 /nfs/dbraw/zinc/80/04/80/378800480.db2.gz HKGGBYXZNADPDD-HUUCEWRRSA-N 2 1 297.487 2.378 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C)n1 ZINC000346842547 218032631 /nfs/dbraw/zinc/03/26/31/218032631.db2.gz IGEGVIHUKIZNHK-CWRNSKLLSA-N 2 1 289.423 2.266 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453099328 378802935 /nfs/dbraw/zinc/80/29/35/378802935.db2.gz RCLKBOOFIYZIHP-QGZVFWFLSA-N 2 1 280.456 2.392 20 0 CEADMP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000453104505 378804562 /nfs/dbraw/zinc/80/45/62/378804562.db2.gz UJSFGPVJIHGKGD-BRWVUGGUSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@H]1CCC[NH2+]C1 ZINC000346829941 218027975 /nfs/dbraw/zinc/02/79/75/218027975.db2.gz OQFJOXSGLFLIHT-WMZOPIPTSA-N 2 1 287.451 2.192 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)C[C@@H]12 ZINC000346829884 218028706 /nfs/dbraw/zinc/02/87/06/218028706.db2.gz OJGOLZNGHFKVKN-RAIGVLPGSA-N 2 1 288.420 2.307 20 0 CEADMP CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000453261417 378845646 /nfs/dbraw/zinc/84/56/46/378845646.db2.gz RMZJNWFQUTVSRU-QJPTWQEYSA-N 2 1 282.350 2.416 20 0 CEADMP CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000453261417 378845653 /nfs/dbraw/zinc/84/56/53/378845653.db2.gz RMZJNWFQUTVSRU-QJPTWQEYSA-N 2 1 282.350 2.416 20 0 CEADMP Cc1ncc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1-c1ccccc1 ZINC000346848744 218036452 /nfs/dbraw/zinc/03/64/52/218036452.db2.gz QRZLMZUQRUNHQU-BMGDILEWSA-N 2 1 296.418 2.350 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346851358 218036591 /nfs/dbraw/zinc/03/65/91/218036591.db2.gz JGCGPYBYFAIIKZ-KCQAQPDRSA-N 2 1 290.455 2.104 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2=CCOCC2)[C@H](C)C1 ZINC000453293910 378857318 /nfs/dbraw/zinc/85/73/18/378857318.db2.gz QCEGDKDXMBFRQJ-WBVHZDCISA-N 2 1 296.455 2.060 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000346864810 218041018 /nfs/dbraw/zinc/04/10/18/218041018.db2.gz ZBDLJWJEEXMANG-UAGQMJEPSA-N 2 1 290.455 2.469 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)o1 ZINC000453379902 378880558 /nfs/dbraw/zinc/88/05/58/378880558.db2.gz KRLRNUNZWUNNSB-BFHYXJOUSA-N 2 1 263.385 2.199 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)o1 ZINC000453379902 378880567 /nfs/dbraw/zinc/88/05/67/378880567.db2.gz KRLRNUNZWUNNSB-BFHYXJOUSA-N 2 1 263.385 2.199 20 0 CEADMP CC[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1CCOC1 ZINC000453399329 378886890 /nfs/dbraw/zinc/88/68/90/378886890.db2.gz NQJJUTLEAIQTEA-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1CCOC1 ZINC000453399329 378886894 /nfs/dbraw/zinc/88/68/94/378886894.db2.gz NQJJUTLEAIQTEA-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+](CCSCCN1CCOCC1)Cc1ccccc1 ZINC000278521498 194024389 /nfs/dbraw/zinc/02/43/89/194024389.db2.gz GRUVPWNLXJWTEA-UHFFFAOYSA-N 2 1 294.464 2.184 20 0 CEADMP C[N@@H+](CCSCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000278521498 194024393 /nfs/dbraw/zinc/02/43/93/194024393.db2.gz GRUVPWNLXJWTEA-UHFFFAOYSA-N 2 1 294.464 2.184 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)CC1 ZINC000453417597 378896785 /nfs/dbraw/zinc/89/67/85/378896785.db2.gz CCJRORWJESESGO-GOSISDBHSA-N 2 1 290.451 2.281 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CCCOC1 ZINC000453420968 378897620 /nfs/dbraw/zinc/89/76/20/378897620.db2.gz ZZMVHDGFVBLITJ-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+](CC(C)(C)[NH3+])[C@@H](COC)Cc1ccccc1 ZINC000346987208 218080541 /nfs/dbraw/zinc/08/05/41/218080541.db2.gz QMSWQKAUSDRNOM-OAHLLOKOSA-N 2 1 264.413 2.303 20 0 CEADMP CC[N@@H+](CC(C)(C)[NH3+])[C@@H](COC)Cc1ccccc1 ZINC000346987208 218080542 /nfs/dbraw/zinc/08/05/42/218080542.db2.gz QMSWQKAUSDRNOM-OAHLLOKOSA-N 2 1 264.413 2.303 20 0 CEADMP Cc1ccc(CC[NH2+]Cc2c[nH+]ccc2N(C)C)nc1 ZINC000453594493 378916560 /nfs/dbraw/zinc/91/65/60/378916560.db2.gz CDYIXYGKKIEVMS-UHFFFAOYSA-N 2 1 270.380 2.183 20 0 CEADMP c1ccc(OC[C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000347001823 218086428 /nfs/dbraw/zinc/08/64/28/218086428.db2.gz IGPNGOWKEWXNBO-CVEARBPZSA-N 2 1 274.408 2.387 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1OC(C)C ZINC000347024280 218097395 /nfs/dbraw/zinc/09/73/95/218097395.db2.gz QOMIZIQVRYDLPH-CQSZACIVSA-N 2 1 278.396 2.263 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1OC(C)C ZINC000347024280 218097396 /nfs/dbraw/zinc/09/73/96/218097396.db2.gz QOMIZIQVRYDLPH-CQSZACIVSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000347039656 218099600 /nfs/dbraw/zinc/09/96/00/218099600.db2.gz JVIVZJLCTALGQF-CHWSQXEVSA-N 2 1 290.436 2.493 20 0 CEADMP COCc1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000347038077 218101293 /nfs/dbraw/zinc/10/12/93/218101293.db2.gz ICAGHXCURKWVEH-AWEZNQCLSA-N 2 1 295.452 2.254 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@H]1[NH3+] ZINC000347038088 218101371 /nfs/dbraw/zinc/10/13/71/218101371.db2.gz ICXZEWDSAQEVCE-CZUORRHYSA-N 2 1 298.390 2.438 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000347074904 218113641 /nfs/dbraw/zinc/11/36/41/218113641.db2.gz UDYLPLAGRCIQIM-CYBMUJFWSA-N 2 1 284.350 2.372 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000347074904 218113648 /nfs/dbraw/zinc/11/36/48/218113648.db2.gz UDYLPLAGRCIQIM-CYBMUJFWSA-N 2 1 284.350 2.372 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000347080305 218115236 /nfs/dbraw/zinc/11/52/36/218115236.db2.gz XFSJAMRCRNZEGE-CYBMUJFWSA-N 2 1 287.411 2.054 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000347080305 218115239 /nfs/dbraw/zinc/11/52/39/218115239.db2.gz XFSJAMRCRNZEGE-CYBMUJFWSA-N 2 1 287.411 2.054 20 0 CEADMP CCC1(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC000347096523 218119407 /nfs/dbraw/zinc/11/94/07/218119407.db2.gz IAFNMCTXGSYULD-YIONKMFJSA-N 2 1 266.429 2.408 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347100526 218121600 /nfs/dbraw/zinc/12/16/00/218121600.db2.gz LFOWDSIVIUWUMF-OAHLLOKOSA-N 2 1 297.402 2.441 20 0 CEADMP COCc1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000347110225 218124683 /nfs/dbraw/zinc/12/46/83/218124683.db2.gz PEALHUNTFIXTJD-AWEZNQCLSA-N 2 1 295.452 2.254 20 0 CEADMP COCCOc1ccccc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347070101 218112701 /nfs/dbraw/zinc/11/27/01/218112701.db2.gz PKEISZWELCQZBQ-LSDHHAIUSA-N 2 1 292.423 2.271 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000347137413 218134881 /nfs/dbraw/zinc/13/48/81/218134881.db2.gz UJIIIGICFUPNMO-RHSMWYFYSA-N 2 1 284.407 2.101 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000347137413 218134883 /nfs/dbraw/zinc/13/48/83/218134883.db2.gz UJIIIGICFUPNMO-RHSMWYFYSA-N 2 1 284.407 2.101 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000347223048 218159062 /nfs/dbraw/zinc/15/90/62/218159062.db2.gz UVWQKNBHIQTEHJ-CYBMUJFWSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000347426105 218230575 /nfs/dbraw/zinc/23/05/75/218230575.db2.gz KGMYLCXNTGFQJR-KGLIPLIRSA-N 2 1 284.444 2.428 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccnc1 ZINC000278759880 194141081 /nfs/dbraw/zinc/14/10/81/194141081.db2.gz XJJKZATYYGIZKQ-HUUCEWRRSA-N 2 1 277.412 2.233 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccnc1 ZINC000278759880 194141082 /nfs/dbraw/zinc/14/10/82/194141082.db2.gz XJJKZATYYGIZKQ-HUUCEWRRSA-N 2 1 277.412 2.233 20 0 CEADMP C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000514947645 379169564 /nfs/dbraw/zinc/16/95/64/379169564.db2.gz GOCCBQOEERVMAQ-GXTWGEPZSA-N 2 1 294.443 2.071 20 0 CEADMP CC(=O)c1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)on1 ZINC000514946553 379169819 /nfs/dbraw/zinc/16/98/19/379169819.db2.gz GPOWISZFAGECAA-UHFFFAOYSA-N 2 1 279.384 2.041 20 0 CEADMP Cc1cnc(C[NH+]2CCC(CCC[NH+](C)C)CC2)nc1 ZINC000347588844 218282833 /nfs/dbraw/zinc/28/28/33/218282833.db2.gz KLCJYBVFNKMZRM-UHFFFAOYSA-N 2 1 276.428 2.339 20 0 CEADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000456350399 379400297 /nfs/dbraw/zinc/40/02/97/379400297.db2.gz LLASJBMWGKIYRX-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C)o1 ZINC000521463144 379533347 /nfs/dbraw/zinc/53/33/47/379533347.db2.gz ZZRWRZWTJSKJPE-UPJWGTAASA-N 2 1 252.358 2.135 20 0 CEADMP C[C@@H](CNC(=O)C[N@H+]1CCC(C)(C)C1)[NH+]1CCCC[C@@H]1C ZINC000521641850 379537004 /nfs/dbraw/zinc/53/70/04/379537004.db2.gz WRDRLKYKKLRYSC-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](CNC(=O)C[NH+]1CCC(C)(C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000521641850 379537009 /nfs/dbraw/zinc/53/70/09/379537009.db2.gz WRDRLKYKKLRYSC-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](CNC(=O)C[NH+]1CCC(C)(C)C1)[N@H+]1CCCC[C@@H]1C ZINC000521641850 379537018 /nfs/dbraw/zinc/53/70/18/379537018.db2.gz WRDRLKYKKLRYSC-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCOc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1 ZINC000521644041 379537474 /nfs/dbraw/zinc/53/74/74/379537474.db2.gz WDBPHABSEVCIQZ-UHFFFAOYSA-N 2 1 292.423 2.022 20 0 CEADMP c1nc2cc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)ccc2[nH]1 ZINC000520952312 379506409 /nfs/dbraw/zinc/50/64/09/379506409.db2.gz NXYRTMLRBVPVHI-ZDUSSCGKSA-N 2 1 270.380 2.137 20 0 CEADMP c1nc2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc2[nH]1 ZINC000520952312 379506418 /nfs/dbraw/zinc/50/64/18/379506418.db2.gz NXYRTMLRBVPVHI-ZDUSSCGKSA-N 2 1 270.380 2.137 20 0 CEADMP c1nc2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc2[nH]1 ZINC000520952312 379506425 /nfs/dbraw/zinc/50/64/25/379506425.db2.gz NXYRTMLRBVPVHI-ZDUSSCGKSA-N 2 1 270.380 2.137 20 0 CEADMP CC[C@H](O)C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000305044131 379609528 /nfs/dbraw/zinc/60/95/28/379609528.db2.gz AMBUAXJKIUEWAZ-AWEZNQCLSA-N 2 1 263.385 2.037 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000457136244 379681774 /nfs/dbraw/zinc/68/17/74/379681774.db2.gz WQNPNDUQDHKLTL-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1C[N@@H+](CCCNCc2ccncc2Cl)CCCO1 ZINC000527700062 379791327 /nfs/dbraw/zinc/79/13/27/379791327.db2.gz KMUDPXWYGIUBIT-CYBMUJFWSA-N 2 1 297.830 2.326 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCOC2)[C@@H]2CCC[C@H]21 ZINC000527925242 379847025 /nfs/dbraw/zinc/84/70/25/379847025.db2.gz LVRQQGJQRZCPNN-YHUYYLMFSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCC2)[C@H]2CCC[C@H]21 ZINC000527999824 379870899 /nfs/dbraw/zinc/87/08/99/379870899.db2.gz HROSAXFDWONWLO-XWTMOSNGSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C2CCCC2)[C@H]2CCC[C@H]21 ZINC000527999824 379870910 /nfs/dbraw/zinc/87/09/10/379870910.db2.gz HROSAXFDWONWLO-XWTMOSNGSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C2CCCC2)[C@H]2CCC[C@H]21 ZINC000527999824 379870916 /nfs/dbraw/zinc/87/09/16/379870916.db2.gz HROSAXFDWONWLO-XWTMOSNGSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)[C@H]2CCC[C@H]21 ZINC000527999824 379870920 /nfs/dbraw/zinc/87/09/20/379870920.db2.gz HROSAXFDWONWLO-XWTMOSNGSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)[C@H]2CCC[C@H]21 ZINC000527999824 379870931 /nfs/dbraw/zinc/87/09/31/379870931.db2.gz HROSAXFDWONWLO-XWTMOSNGSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000488506023 380104208 /nfs/dbraw/zinc/10/42/08/380104208.db2.gz NZOISMBUORVPIE-FHLIZLRMSA-N 2 1 288.435 2.389 20 0 CEADMP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333837673 380161751 /nfs/dbraw/zinc/16/17/51/380161751.db2.gz KMTKNTUJPPXIOB-SMDDNHRTSA-N 2 1 290.411 2.472 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@H]1CCC[C@H]1[NH3+] ZINC000340126373 296310571 /nfs/dbraw/zinc/31/05/71/296310571.db2.gz LSEXADLDGMGARV-BZUAXINKSA-N 2 1 295.471 2.275 20 0 CEADMP CCC[NH+]1CCC([N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000334530664 380541807 /nfs/dbraw/zinc/54/18/07/380541807.db2.gz NGPQQKVMKFRNNG-INIZCTEOSA-N 2 1 266.429 2.363 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc3nccn32)C1 ZINC000552117375 380686224 /nfs/dbraw/zinc/68/62/24/380686224.db2.gz VCLLHBUYUSPLAI-CQSZACIVSA-N 2 1 272.396 2.154 20 0 CEADMP CCOc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)n1 ZINC000554888286 380800430 /nfs/dbraw/zinc/80/04/30/380800430.db2.gz BHEDVWPZGYXKDS-GOEBONIOSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)n1 ZINC000554888286 380800433 /nfs/dbraw/zinc/80/04/33/380800433.db2.gz BHEDVWPZGYXKDS-GOEBONIOSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000554888286 380800436 /nfs/dbraw/zinc/80/04/36/380800436.db2.gz BHEDVWPZGYXKDS-GOEBONIOSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000554888286 380800439 /nfs/dbraw/zinc/80/04/39/380800439.db2.gz BHEDVWPZGYXKDS-GOEBONIOSA-N 2 1 289.423 2.396 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)C1 ZINC000334843065 207171552 /nfs/dbraw/zinc/17/15/52/207171552.db2.gz ATDSTIAXEYVXKP-NEPJUHHUSA-N 2 1 278.787 2.347 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000334859265 207200403 /nfs/dbraw/zinc/20/04/03/207200403.db2.gz XVYSIUCEEXVNBI-SWLSCSKDSA-N 2 1 274.408 2.488 20 0 CEADMP Cc1ccsc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000335252103 208030382 /nfs/dbraw/zinc/03/03/82/208030382.db2.gz JADIAPFBJMZZFH-ZDUSSCGKSA-N 2 1 280.437 2.244 20 0 CEADMP Cc1nc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cs1 ZINC000335276555 208082806 /nfs/dbraw/zinc/08/28/06/208082806.db2.gz GCVUHSDBLNMOQB-LLVKDONJSA-N 2 1 265.426 2.416 20 0 CEADMP Cc1cc(N)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000335365181 208282150 /nfs/dbraw/zinc/28/21/50/208282150.db2.gz ZBUMPJBIGGZFBX-HOTGVXAUSA-N 2 1 259.397 2.294 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCC2CCC(OC)CC2)CC1 ZINC000349725925 218910629 /nfs/dbraw/zinc/91/06/29/218910629.db2.gz YTULXWZXEQUWOS-UHFFFAOYSA-N 2 1 298.471 2.282 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)C(C)C ZINC000353727645 285279551 /nfs/dbraw/zinc/27/95/51/285279551.db2.gz JLKITCVLJQKAFX-HOTGVXAUSA-N 2 1 297.487 2.153 20 0 CEADMP O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000361986509 285339340 /nfs/dbraw/zinc/33/93/40/285339340.db2.gz POMLIXQTAABMRK-XFUTXVRSSA-N 2 1 298.430 2.061 20 0 CEADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000361986509 285339342 /nfs/dbraw/zinc/33/93/42/285339342.db2.gz POMLIXQTAABMRK-XFUTXVRSSA-N 2 1 298.430 2.061 20 0 CEADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000361986509 285339344 /nfs/dbraw/zinc/33/93/44/285339344.db2.gz POMLIXQTAABMRK-XFUTXVRSSA-N 2 1 298.430 2.061 20 0 CEADMP O[C@@H]1c2ccccc2C[C@@H]1[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000361986710 285339221 /nfs/dbraw/zinc/33/92/21/285339221.db2.gz POMLIXQTAABMRK-YCVVXREPSA-N 2 1 298.430 2.061 20 0 CEADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361986710 285339223 /nfs/dbraw/zinc/33/92/23/285339223.db2.gz POMLIXQTAABMRK-YCVVXREPSA-N 2 1 298.430 2.061 20 0 CEADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361986710 285339224 /nfs/dbraw/zinc/33/92/24/285339224.db2.gz POMLIXQTAABMRK-YCVVXREPSA-N 2 1 298.430 2.061 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1NCC1([NH+](C)C)CCC1 ZINC000281601776 195303747 /nfs/dbraw/zinc/30/37/47/195303747.db2.gz YDQVTAAZKKYCQJ-UHFFFAOYSA-N 2 1 277.368 2.155 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccnc2ccccc12 ZINC000216073463 394450575 /nfs/dbraw/zinc/45/05/75/394450575.db2.gz LMKRYYWZSVNBLU-QWHCGFSZSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420973336 394459739 /nfs/dbraw/zinc/45/97/39/394459739.db2.gz MZAYZMIUCNWBJM-LSDHHAIUSA-N 2 1 274.408 2.359 20 0 CEADMP C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420973336 394459744 /nfs/dbraw/zinc/45/97/44/394459744.db2.gz MZAYZMIUCNWBJM-LSDHHAIUSA-N 2 1 274.408 2.359 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000221983264 394462909 /nfs/dbraw/zinc/46/29/09/394462909.db2.gz SQFCATANAPWUFZ-KFWWJZLASA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000221983264 394462912 /nfs/dbraw/zinc/46/29/12/394462912.db2.gz SQFCATANAPWUFZ-KFWWJZLASA-N 2 1 265.445 2.076 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCCc2ccccc2F)CC1 ZINC000355599888 394472047 /nfs/dbraw/zinc/47/20/47/394472047.db2.gz OVWPGSRTINFABA-UHFFFAOYSA-N 2 1 294.414 2.459 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000305109941 394492489 /nfs/dbraw/zinc/49/24/89/394492489.db2.gz FKBCWPOOBBGHFZ-BTFPBAQTSA-N 2 1 256.434 2.102 20 0 CEADMP Cc1nccn1CC[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000355685514 394502144 /nfs/dbraw/zinc/50/21/44/394502144.db2.gz WZJCVRFNTMIGIA-SFHVURJKSA-N 2 1 299.418 2.261 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000356672827 394583814 /nfs/dbraw/zinc/58/38/14/394583814.db2.gz IODKCTFFIQXMAL-BARDWOONSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1nc(NCCCC[N@@H+](C)C2CC2)c(C)c(C)[nH+]1 ZINC000413346150 394531660 /nfs/dbraw/zinc/53/16/60/394531660.db2.gz HMPZSWXEJJYWAZ-UHFFFAOYSA-N 2 1 262.401 2.110 20 0 CEADMP Cc1nc(NCCCC[N@H+](C)C2CC2)c(C)c(C)[nH+]1 ZINC000413346150 394531661 /nfs/dbraw/zinc/53/16/61/394531661.db2.gz HMPZSWXEJJYWAZ-UHFFFAOYSA-N 2 1 262.401 2.110 20 0 CEADMP Cc1ccc(OCC[N@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000094024511 394670558 /nfs/dbraw/zinc/67/05/58/394670558.db2.gz YLMYAOODKSFUJU-UHFFFAOYSA-N 2 1 262.397 2.305 20 0 CEADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413941264 394662220 /nfs/dbraw/zinc/66/22/20/394662220.db2.gz UPBMRCMOUWSBCF-UHFFFAOYSA-N 2 1 290.342 2.031 20 0 CEADMP COc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257694477 394596194 /nfs/dbraw/zinc/59/61/94/394596194.db2.gz OJGQEKCYRYCIOL-INIZCTEOSA-N 2 1 260.381 2.271 20 0 CEADMP COc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257694477 394596199 /nfs/dbraw/zinc/59/61/99/394596199.db2.gz OJGQEKCYRYCIOL-INIZCTEOSA-N 2 1 260.381 2.271 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334231632 394666499 /nfs/dbraw/zinc/66/64/99/394666499.db2.gz LQTXPPCREBIPJT-MRXNPFEDSA-N 2 1 276.428 2.283 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334231632 394666501 /nfs/dbraw/zinc/66/65/01/394666501.db2.gz LQTXPPCREBIPJT-MRXNPFEDSA-N 2 1 276.428 2.283 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCOC1 ZINC000356768791 394607939 /nfs/dbraw/zinc/60/79/39/394607939.db2.gz HWORMQJUKJTFGR-XQLPTFJDSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000422710265 394732787 /nfs/dbraw/zinc/73/27/87/394732787.db2.gz FNFJKMBGSDGZIF-YDHLFZDLSA-N 2 1 293.480 2.225 20 0 CEADMP C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000422710265 394732789 /nfs/dbraw/zinc/73/27/89/394732789.db2.gz FNFJKMBGSDGZIF-YDHLFZDLSA-N 2 1 293.480 2.225 20 0 CEADMP C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422713908 394734905 /nfs/dbraw/zinc/73/49/05/394734905.db2.gz KMZBCDPEUMIZQE-RLFYNMQTSA-N 2 1 287.451 2.163 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422736513 394748902 /nfs/dbraw/zinc/74/89/02/394748902.db2.gz GKRUEDLEKREKNH-RBSFLKMASA-N 2 1 253.434 2.110 20 0 CEADMP CC[N@@H+](C)CCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422721424 394740436 /nfs/dbraw/zinc/74/04/36/394740436.db2.gz VJYOHMGNPSEMGW-CVEARBPZSA-N 2 1 261.413 2.021 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)[C@@H](C)O1 ZINC000414278138 394741277 /nfs/dbraw/zinc/74/12/77/394741277.db2.gz HPFRXJHJOBEPBG-BBZRCZKMSA-N 2 1 254.418 2.118 20 0 CEADMP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000414702372 394749220 /nfs/dbraw/zinc/74/92/20/394749220.db2.gz BDJZKASGMYADJG-IKGGRYGDSA-N 2 1 274.408 2.156 20 0 CEADMP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000414702372 394749224 /nfs/dbraw/zinc/74/92/24/394749224.db2.gz BDJZKASGMYADJG-IKGGRYGDSA-N 2 1 274.408 2.156 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414353977 394741788 /nfs/dbraw/zinc/74/17/88/394741788.db2.gz WOIJPLUFYPZGSW-UKPHBRMFSA-N 2 1 291.414 2.334 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414353977 394741790 /nfs/dbraw/zinc/74/17/90/394741790.db2.gz WOIJPLUFYPZGSW-UKPHBRMFSA-N 2 1 291.414 2.334 20 0 CEADMP CCN(CCC[NH+](C)C)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000356991806 394673918 /nfs/dbraw/zinc/67/39/18/394673918.db2.gz ARXDEYBVILJLJV-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCN(CCC[NH+](C)C)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000356991804 394674186 /nfs/dbraw/zinc/67/41/86/394674186.db2.gz ARXDEYBVILJLJV-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C1CC1 ZINC000267210723 394674322 /nfs/dbraw/zinc/67/43/22/394674322.db2.gz HJVAPDWXENJRSF-JCGIZDLHSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C1CC1 ZINC000267210723 394674325 /nfs/dbraw/zinc/67/43/25/394674325.db2.gz HJVAPDWXENJRSF-JCGIZDLHSA-N 2 1 288.435 2.258 20 0 CEADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)[C@@H]1C[C@@H]1C ZINC000414066994 394692546 /nfs/dbraw/zinc/69/25/46/394692546.db2.gz PYASNVSCWIOADF-BBWFWOEESA-N 2 1 281.488 2.428 20 0 CEADMP CC(C)(C)N1CCC([NH2+][C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000334502566 394694090 /nfs/dbraw/zinc/69/40/90/394694090.db2.gz CSDWAVWOWTXWNH-CQSZACIVSA-N 2 1 276.428 2.120 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccn(C)n3)CC2)[nH+]1 ZINC000414112075 394705827 /nfs/dbraw/zinc/70/58/27/394705827.db2.gz JQPAIKHUBQPSDB-CQSZACIVSA-N 2 1 299.422 2.443 20 0 CEADMP O=c1[nH]c2ccccc2cc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422558492 394710002 /nfs/dbraw/zinc/71/00/02/394710002.db2.gz AVWREKRWZFMGHD-UHFFFAOYSA-N 2 1 283.375 2.268 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422737941 394749579 /nfs/dbraw/zinc/74/95/79/394749579.db2.gz YABPDBHAIWAJKW-BZUAXINKSA-N 2 1 267.461 2.358 20 0 CEADMP CC[C@@H]1CCCCN1CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422737941 394749580 /nfs/dbraw/zinc/74/95/80/394749580.db2.gz YABPDBHAIWAJKW-BZUAXINKSA-N 2 1 267.461 2.358 20 0 CEADMP Cc1ccn2c(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cnc2c1 ZINC000422562054 394711827 /nfs/dbraw/zinc/71/18/27/394711827.db2.gz PDCHLFMQUYFOMG-ILXRZTDVSA-N 2 1 286.423 2.448 20 0 CEADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358247079 394713135 /nfs/dbraw/zinc/71/31/35/394713135.db2.gz CZDHQBUZJHVTLI-IAGOWNOFSA-N 2 1 294.414 2.049 20 0 CEADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358247079 394713138 /nfs/dbraw/zinc/71/31/38/394713138.db2.gz CZDHQBUZJHVTLI-IAGOWNOFSA-N 2 1 294.414 2.049 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC000334856322 394715334 /nfs/dbraw/zinc/71/53/34/394715334.db2.gz HWCHTCKXCSBUNL-VXGBXAGGSA-N 2 1 250.411 2.494 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCCN(C3CCCC3)CC2)CC[NH2+]1 ZINC000334860949 394716112 /nfs/dbraw/zinc/71/61/12/394716112.db2.gz ZPPPXXLLUKXMIV-HOTGVXAUSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H]1C[C@@H](CN2CCC[N@@H+](C3CCCC3)CC2)CC[NH2+]1 ZINC000334860949 394716115 /nfs/dbraw/zinc/71/61/15/394716115.db2.gz ZPPPXXLLUKXMIV-HOTGVXAUSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H]1C[C@@H](CN2CCC[N@H+](C3CCCC3)CC2)CC[NH2+]1 ZINC000334860949 394716118 /nfs/dbraw/zinc/71/61/18/394716118.db2.gz ZPPPXXLLUKXMIV-HOTGVXAUSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422735184 394747658 /nfs/dbraw/zinc/74/76/58/394747658.db2.gz DMTDRXKZCBCAKF-BSWAZPDLSA-N 2 1 273.424 2.291 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422735184 394747662 /nfs/dbraw/zinc/74/76/62/394747662.db2.gz DMTDRXKZCBCAKF-BSWAZPDLSA-N 2 1 273.424 2.291 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422737942 394749618 /nfs/dbraw/zinc/74/96/18/394749618.db2.gz YABPDBHAIWAJKW-OAGGEKHMSA-N 2 1 267.461 2.358 20 0 CEADMP CC[C@@H]1CCCCN1CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422737942 394749620 /nfs/dbraw/zinc/74/96/20/394749620.db2.gz YABPDBHAIWAJKW-OAGGEKHMSA-N 2 1 267.461 2.358 20 0 CEADMP CC(C)[C@@H](Cn1cccn1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414170564 394721254 /nfs/dbraw/zinc/72/12/54/394721254.db2.gz CABGHHWJJRLUHO-HZPDHXFCSA-N 2 1 278.444 2.229 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000358411515 394721763 /nfs/dbraw/zinc/72/17/63/394721763.db2.gz ZGKNIAUBFCQRLY-IJEWVQPXSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000358411515 394721767 /nfs/dbraw/zinc/72/17/67/394721767.db2.gz ZGKNIAUBFCQRLY-IJEWVQPXSA-N 2 1 295.471 2.096 20 0 CEADMP CC1=CC[NH+](CCNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000358463922 394722833 /nfs/dbraw/zinc/72/28/33/394722833.db2.gz IRIFZCLPIQITNZ-XHSDSOJGSA-N 2 1 293.455 2.016 20 0 CEADMP CC1=CC[N@H+](CCNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000358463922 394722834 /nfs/dbraw/zinc/72/28/34/394722834.db2.gz IRIFZCLPIQITNZ-XHSDSOJGSA-N 2 1 293.455 2.016 20 0 CEADMP CC1=CC[N@@H+](CCNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000358463922 394722836 /nfs/dbraw/zinc/72/28/36/394722836.db2.gz IRIFZCLPIQITNZ-XHSDSOJGSA-N 2 1 293.455 2.016 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC3(CC[NH2+]3)CC2)c1C ZINC000422639128 394723313 /nfs/dbraw/zinc/72/33/13/394723313.db2.gz SEFBZKBCCSZOJT-UHFFFAOYSA-N 2 1 275.396 2.035 20 0 CEADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422699323 394725515 /nfs/dbraw/zinc/72/55/15/394725515.db2.gz AKFBHTSOSYDACY-ZDUSSCGKSA-N 2 1 289.423 2.369 20 0 CEADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CCC[C@@H]3N)CC2)CC1 ZINC000335018344 394727161 /nfs/dbraw/zinc/72/71/61/394727161.db2.gz FSMJFCCABOERNY-GQGLESIBSA-N 2 1 279.472 2.499 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCOC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC000414668566 394748308 /nfs/dbraw/zinc/74/83/08/394748308.db2.gz AGPZIMZUXOSLBD-KBAYOESNSA-N 2 1 288.435 2.318 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422703756 394727426 /nfs/dbraw/zinc/72/74/26/394727426.db2.gz ILIXEWAVHWCATQ-GJZGRUSLSA-N 2 1 297.512 2.208 20 0 CEADMP CC[C@@H]([NH2+]CCN1CCc2sccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422741749 394752059 /nfs/dbraw/zinc/75/20/59/394752059.db2.gz QJNHUTXBQVVNMR-CABCVRRESA-N 2 1 293.480 2.226 20 0 CEADMP CCN(CC)c1ncc(C[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000414822110 394752205 /nfs/dbraw/zinc/75/22/05/394752205.db2.gz CAYLWLSRRSLBSV-LBPRGKRZSA-N 2 1 282.457 2.079 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000414818623 394752472 /nfs/dbraw/zinc/75/24/72/394752472.db2.gz WGOMALIILIBQOT-GJZGRUSLSA-N 2 1 283.460 2.275 20 0 CEADMP CC[NH2+]CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000414822746 394753621 /nfs/dbraw/zinc/75/36/21/394753621.db2.gz GVGIWGWWTQWRAM-RCCFBDPRSA-N 2 1 287.451 2.096 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422745509 394755581 /nfs/dbraw/zinc/75/55/81/394755581.db2.gz VHRKBZVINLKXAV-BZUAXINKSA-N 3 1 267.461 2.085 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422745509 394755583 /nfs/dbraw/zinc/75/55/83/394755583.db2.gz VHRKBZVINLKXAV-BZUAXINKSA-N 2 1 267.461 2.085 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422745509 394755587 /nfs/dbraw/zinc/75/55/87/394755587.db2.gz VHRKBZVINLKXAV-BZUAXINKSA-N 2 1 267.461 2.085 20 0 CEADMP Fc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc(F)c1F ZINC000414831015 394759209 /nfs/dbraw/zinc/75/92/09/394759209.db2.gz PDLQANWSKRYVHZ-SECBINFHSA-N 2 1 258.287 2.193 20 0 CEADMP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422753237 394759820 /nfs/dbraw/zinc/75/98/20/394759820.db2.gz IETVIBZGHFVLQC-XJKSGUPXSA-N 2 1 286.423 2.322 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@H]2CCC[NH2+]C2)C1 ZINC000414833909 394761551 /nfs/dbraw/zinc/76/15/51/394761551.db2.gz RUQCJBBDZJQVHL-SOLBZPMBSA-N 2 1 287.451 2.411 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000414833909 394761553 /nfs/dbraw/zinc/76/15/53/394761553.db2.gz RUQCJBBDZJQVHL-SOLBZPMBSA-N 2 1 287.451 2.411 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c(Cl)c1 ZINC000414953795 394823029 /nfs/dbraw/zinc/82/30/29/394823029.db2.gz KCXBESKGTDWESF-YGRLFVJLSA-N 2 1 268.788 2.436 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 ZINC000422764599 394767562 /nfs/dbraw/zinc/76/75/62/394767562.db2.gz PXGCWFROLPLVHR-RBSFLKMASA-N 2 1 269.477 2.460 20 0 CEADMP c1ccc(CSCC[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000414851483 394770165 /nfs/dbraw/zinc/77/01/65/394770165.db2.gz ULFCAJYJJMWAGE-AWEZNQCLSA-N 2 1 250.411 2.261 20 0 CEADMP COCC1(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CCC1 ZINC000361323400 394823451 /nfs/dbraw/zinc/82/34/51/394823451.db2.gz FPBAWXBZUMCIKJ-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP COCC1(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CCC1 ZINC000361323400 394823454 /nfs/dbraw/zinc/82/34/54/394823454.db2.gz FPBAWXBZUMCIKJ-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP COCC1(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000361323400 394823460 /nfs/dbraw/zinc/82/34/60/394823460.db2.gz FPBAWXBZUMCIKJ-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP COCC1(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000361323400 394823462 /nfs/dbraw/zinc/82/34/62/394823462.db2.gz FPBAWXBZUMCIKJ-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C12CCC2 ZINC000422775666 394775764 /nfs/dbraw/zinc/77/57/64/394775764.db2.gz BBLDLFZKJPBIIN-REWJHTLYSA-N 2 1 252.402 2.064 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(Br)cn1)[C@@H]1CCC[NH2+]C1 ZINC000414861791 394776019 /nfs/dbraw/zinc/77/60/19/394776019.db2.gz WUFNGWNTOXRTFW-GHMZBOCLSA-N 2 1 298.228 2.322 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000414862626 394776202 /nfs/dbraw/zinc/77/62/02/394776202.db2.gz VRJHWYUYGIDGNJ-UHFFFAOYSA-N 2 1 285.391 2.360 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@@H](C)CCC[NH3+])CC2)[nH+]c1 ZINC000422784223 394783207 /nfs/dbraw/zinc/78/32/07/394783207.db2.gz NTEIRHDFXNRTFO-AWEZNQCLSA-N 3 1 276.428 2.076 20 0 CEADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1C[NH2+]C1 ZINC000422842340 394824275 /nfs/dbraw/zinc/82/42/75/394824275.db2.gz YFAURSLJIUIZNR-KBPBESRZSA-N 2 1 293.480 2.158 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)C1C[NH2+]C1 ZINC000422842340 394824279 /nfs/dbraw/zinc/82/42/79/394824279.db2.gz YFAURSLJIUIZNR-KBPBESRZSA-N 2 1 293.480 2.158 20 0 CEADMP COc1cc2c(c(C[NH2+][C@@H]3CC[NH2+][C@H](C)C3)c1)O[C@H](C)C2 ZINC000414956231 394824339 /nfs/dbraw/zinc/82/43/39/394824339.db2.gz VBFYFMFTJPJFSR-LALPHHSUSA-N 2 1 290.407 2.249 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422798574 394794483 /nfs/dbraw/zinc/79/44/83/394794483.db2.gz RVXRNWGNFRIPJT-BHYGNILZSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1C[N@@H+](CC2(C)CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000335737206 394795595 /nfs/dbraw/zinc/79/55/95/394795595.db2.gz IJLZVCHFKHXTRO-HZPDHXFCSA-N 2 1 279.472 2.134 20 0 CEADMP C[C@@]1(C[NH2+]Cc2cncc(Br)c2)CCC[NH2+]C1 ZINC000414918934 394803644 /nfs/dbraw/zinc/80/36/44/394803644.db2.gz VOZYKZBQBJKWGB-CYBMUJFWSA-N 2 1 298.228 2.323 20 0 CEADMP C[C@H]1CCC[C@H]([NH+]2CCC(NCC(F)(F)C[NH3+])CC2)C1 ZINC000414922210 394804626 /nfs/dbraw/zinc/80/46/26/394804626.db2.gz CJJSJRGINCVKOK-JSGCOSHPSA-N 2 1 289.414 2.213 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000414923472 394805493 /nfs/dbraw/zinc/80/54/93/394805493.db2.gz HGSPEQJTDOLRBJ-ATLSCFEFSA-N 2 1 287.451 2.410 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000422815656 394807233 /nfs/dbraw/zinc/80/72/33/394807233.db2.gz CEBAZAGMFNSJMC-CZUORRHYSA-N 2 1 269.392 2.365 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000335877210 394807966 /nfs/dbraw/zinc/80/79/66/394807966.db2.gz BYUJMLXUYDMDSF-OAHLLOKOSA-N 2 1 272.396 2.479 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000335877210 394807967 /nfs/dbraw/zinc/80/79/67/394807967.db2.gz BYUJMLXUYDMDSF-OAHLLOKOSA-N 2 1 272.396 2.479 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nccnc1C ZINC000275899384 394809675 /nfs/dbraw/zinc/80/96/75/394809675.db2.gz SAYOZNXRCPQTFG-NSHDSACASA-N 2 1 259.357 2.031 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422844685 394825591 /nfs/dbraw/zinc/82/55/91/394825591.db2.gz MRZCIMOLIWDWDC-DOTOQJQBSA-N 2 1 288.435 2.322 20 0 CEADMP CC1(C)CCC[NH2+][C@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000414938413 394811881 /nfs/dbraw/zinc/81/18/81/394811881.db2.gz YJQWHLXYCIRVSS-ZDUSSCGKSA-N 2 1 289.414 2.084 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc(-n2cccn2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422824469 394813624 /nfs/dbraw/zinc/81/36/24/394813624.db2.gz NTOFOKNYQWCRDC-PBHICJAKSA-N 2 1 284.407 2.145 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422824827 394813917 /nfs/dbraw/zinc/81/39/17/394813917.db2.gz ONZIUARDCYOMBL-WMLDXEAASA-N 2 1 284.407 2.002 20 0 CEADMP CCN(CC)c1ncc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414945223 394815239 /nfs/dbraw/zinc/81/52/39/394815239.db2.gz ICASHNNHJGWQEC-NEPJUHHUSA-N 2 1 282.457 2.219 20 0 CEADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C ZINC000361219215 394819716 /nfs/dbraw/zinc/81/97/16/394819716.db2.gz BSVGUSPXXAUPHW-ZNMIVQPWSA-N 2 1 256.434 2.103 20 0 CEADMP CCCn1nc(C)c(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000414950361 394820246 /nfs/dbraw/zinc/82/02/46/394820246.db2.gz ONJUKGPQNYKRMN-FZMZJTMJSA-N 2 1 264.417 2.140 20 0 CEADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000414951349 394820683 /nfs/dbraw/zinc/82/06/83/394820683.db2.gz PTIYFVILIXLASJ-JSGCOSHPSA-N 2 1 278.396 2.324 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000361243987 394821134 /nfs/dbraw/zinc/82/11/34/394821134.db2.gz LJMRZRCADBZVCU-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)(C)[NH2+]CC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000415088857 394884804 /nfs/dbraw/zinc/88/48/04/394884804.db2.gz VUAMIJORQXZOEH-HNNXBMFYSA-N 2 1 275.440 2.491 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415050488 394864838 /nfs/dbraw/zinc/86/48/38/394864838.db2.gz CYQXRFLIZUFFQH-IIAWOOMASA-N 2 1 268.445 2.356 20 0 CEADMP C[C@@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)CC1CCOCC1 ZINC000415052086 394865696 /nfs/dbraw/zinc/86/56/96/394865696.db2.gz HFHSEZXMPUPSDJ-TZMCWYRMSA-N 2 1 256.434 2.402 20 0 CEADMP C[N@@H+](Cc1cccc(Oc2ccccc2)c1)C[C@@H](O)C[NH3+] ZINC000415053474 394865827 /nfs/dbraw/zinc/86/58/27/394865827.db2.gz KAMOUHWGGRTFQQ-HNNXBMFYSA-N 2 1 286.375 2.230 20 0 CEADMP C[N@H+](Cc1cccc(Oc2ccccc2)c1)C[C@@H](O)C[NH3+] ZINC000415053474 394865830 /nfs/dbraw/zinc/86/58/30/394865830.db2.gz KAMOUHWGGRTFQQ-HNNXBMFYSA-N 2 1 286.375 2.230 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000422933651 394866580 /nfs/dbraw/zinc/86/65/80/394866580.db2.gz BSCWHYJHCVVODF-QWHCGFSZSA-N 2 1 299.212 2.297 20 0 CEADMP CC[C@H]([NH2+]CCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422934903 394867452 /nfs/dbraw/zinc/86/74/52/394867452.db2.gz GQWCPZZPDZRODS-GJZGRUSLSA-N 2 1 266.360 2.325 20 0 CEADMP Fc1cccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415059672 394868367 /nfs/dbraw/zinc/86/83/67/394868367.db2.gz VINTYAQZSSJNOK-UHFFFAOYSA-N 2 1 291.414 2.132 20 0 CEADMP Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422969964 394870122 /nfs/dbraw/zinc/87/01/22/394870122.db2.gz VKNFRPDCOVATPT-OPQQBVKSSA-N 2 1 251.374 2.125 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422971557 394871637 /nfs/dbraw/zinc/87/16/37/394871637.db2.gz JDVKAEDFQDOJGJ-DZGCQCFKSA-N 2 1 290.455 2.231 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422971557 394871639 /nfs/dbraw/zinc/87/16/39/394871639.db2.gz JDVKAEDFQDOJGJ-DZGCQCFKSA-N 3 1 290.455 2.231 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422971557 394871641 /nfs/dbraw/zinc/87/16/41/394871641.db2.gz JDVKAEDFQDOJGJ-DZGCQCFKSA-N 3 1 290.455 2.231 20 0 CEADMP CC1CC[NH+](CCCN[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000129796619 394873141 /nfs/dbraw/zinc/87/31/41/394873141.db2.gz RPSLMFXGWZSAQM-CVEARBPZSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000336803111 394873864 /nfs/dbraw/zinc/87/38/64/394873864.db2.gz XCQAARSELSMOTI-AWEZNQCLSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000336803111 394873868 /nfs/dbraw/zinc/87/38/68/394873868.db2.gz XCQAARSELSMOTI-AWEZNQCLSA-N 2 1 263.385 2.083 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC000336822851 394879312 /nfs/dbraw/zinc/87/93/12/394879312.db2.gz NFHAVRFSACVONV-IRXDYDNUSA-N 2 1 280.456 2.467 20 0 CEADMP CC(C)Cc1ncc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000414966966 394829513 /nfs/dbraw/zinc/82/95/13/394829513.db2.gz XDKNGXMRTPAEFA-AAEUAGOBSA-N 2 1 267.442 2.429 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cn1 ZINC000414971026 394831823 /nfs/dbraw/zinc/83/18/23/394831823.db2.gz LBJCYDLKRWSGIN-OAHLLOKOSA-N 2 1 290.455 2.404 20 0 CEADMP C[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)[C@@H]1CCC[NH2+]1 ZINC000422857573 394833010 /nfs/dbraw/zinc/83/30/10/394833010.db2.gz HABOBJPVPQLVIW-PBHICJAKSA-N 2 1 284.407 2.145 20 0 CEADMP CCO[C@H](CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000361806217 394835565 /nfs/dbraw/zinc/83/55/65/394835565.db2.gz ZJBVXEHYNNYGTH-QLFBSQMISA-N 2 1 256.434 2.367 20 0 CEADMP C[C@H](CN[C@@H](C)c1c[nH+]ccc1N)[N@H+]1CCC[C@@H](C)C1 ZINC000422868748 394839603 /nfs/dbraw/zinc/83/96/03/394839603.db2.gz VUWNCASBNRUTJN-MCIONIFRSA-N 2 1 276.428 2.265 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)N[C@@H]2CC[NH2+]C2)cc1 ZINC000422868928 394840587 /nfs/dbraw/zinc/84/05/87/394840587.db2.gz VWOJBIDORFXUTG-SWLSCSKDSA-N 2 1 270.380 2.193 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422877628 394844526 /nfs/dbraw/zinc/84/45/26/394844526.db2.gz IJNQPYNPUPKDOD-QRJUGERDSA-N 2 1 267.461 2.083 20 0 CEADMP C[C@@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422878043 394844977 /nfs/dbraw/zinc/84/49/77/394844977.db2.gz ISKHGHVTDBBEKE-QKPAOTATSA-N 2 1 267.461 2.085 20 0 CEADMP Cc1ccc([C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])N2CCCC2)o1 ZINC000422880861 394846830 /nfs/dbraw/zinc/84/68/30/394846830.db2.gz PBZYFAWGZJEDKI-IPYPFGDCSA-N 2 1 279.428 2.440 20 0 CEADMP C[C@H](NCCCC[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]1 ZINC000422884671 394848944 /nfs/dbraw/zinc/84/89/44/394848944.db2.gz SOEOSHGTYZTWAF-JKSUJKDBSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422885258 394849074 /nfs/dbraw/zinc/84/90/74/394849074.db2.gz GQKMLKMJLDTARO-QKPAOTATSA-N 2 1 267.461 2.370 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422885870 394849197 /nfs/dbraw/zinc/84/91/97/394849197.db2.gz HMXZGNLOZAGYLB-FZKCQIBNSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422885870 394849199 /nfs/dbraw/zinc/84/91/99/394849199.db2.gz HMXZGNLOZAGYLB-FZKCQIBNSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422886772 394850325 /nfs/dbraw/zinc/85/03/25/394850325.db2.gz XNQNAPWEYQNLMT-ZNMIVQPWSA-N 3 1 255.450 2.071 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccccc1-n1cccn1 ZINC000415088375 394884037 /nfs/dbraw/zinc/88/40/37/394884037.db2.gz LXGWXDGBYXGSNZ-OAHLLOKOSA-N 2 1 272.396 2.335 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1Oc1cccnc1 ZINC000415030813 394854726 /nfs/dbraw/zinc/85/47/26/394854726.db2.gz FJIQHBKEGAWUBJ-VQFNDLOPSA-N 2 1 295.386 2.490 20 0 CEADMP Cc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cn1 ZINC000422896647 394854725 /nfs/dbraw/zinc/85/47/25/394854725.db2.gz YKWJCHHMUAKTBI-WMLDXEAASA-N 2 1 269.392 2.438 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422902836 394855804 /nfs/dbraw/zinc/85/58/04/394855804.db2.gz DRWJVPNZHMXEPP-ILXRZTDVSA-N 3 1 267.461 2.356 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422902839 394855920 /nfs/dbraw/zinc/85/59/20/394855920.db2.gz DRWJVPNZHMXEPP-RBSFLKMASA-N 3 1 267.461 2.356 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CN[C@H](C)C2C[NH2+]C2)C1 ZINC000422904314 394857495 /nfs/dbraw/zinc/85/74/95/394857495.db2.gz GUEDVXHJSDAAMD-KGLIPLIRSA-N 2 1 267.461 2.085 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422910240 394859369 /nfs/dbraw/zinc/85/93/69/394859369.db2.gz PXNCYRBFZPLQEU-CHWSQXEVSA-N 2 1 278.444 2.230 20 0 CEADMP CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422910240 394859371 /nfs/dbraw/zinc/85/93/71/394859371.db2.gz PXNCYRBFZPLQEU-CHWSQXEVSA-N 2 1 278.444 2.230 20 0 CEADMP COc1ccc(COCCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422910055 394859549 /nfs/dbraw/zinc/85/95/49/394859549.db2.gz POQKMAKYJRDVAJ-YOEHRIQHSA-N 2 1 292.423 2.190 20 0 CEADMP CN(C)c1ncc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415041557 394860353 /nfs/dbraw/zinc/86/03/53/394860353.db2.gz LMCTTXRCYSOJAW-JSGCOSHPSA-N 2 1 294.468 2.173 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415041557 394860355 /nfs/dbraw/zinc/86/03/55/394860355.db2.gz LMCTTXRCYSOJAW-JSGCOSHPSA-N 2 1 294.468 2.173 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCNc1ccccc1F ZINC000423026418 394884557 /nfs/dbraw/zinc/88/45/57/394884557.db2.gz BECTYPKDPCWXMW-SWLSCSKDSA-N 2 1 265.376 2.215 20 0 CEADMP CC(C)COc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000415044574 394861747 /nfs/dbraw/zinc/86/17/47/394861747.db2.gz SFBUPQMFUHSKAE-KRWDZBQOSA-N 2 1 292.423 2.190 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000423270300 394889006 /nfs/dbraw/zinc/88/90/06/394889006.db2.gz HQZBYZXAKMKXMK-KBPBESRZSA-N 2 1 272.396 2.378 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CCOCC3)CC[NH2+]2)cc1 ZINC000415097760 394889148 /nfs/dbraw/zinc/88/91/48/394889148.db2.gz DISSVWUJHOPRSW-SJORKVTESA-N 2 1 274.408 2.496 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC2)[C@H]1c1ccccc1 ZINC000364024101 394889566 /nfs/dbraw/zinc/88/95/66/394889566.db2.gz UUPHIKQBFDJHCK-BZUAXINKSA-N 2 1 260.381 2.058 20 0 CEADMP C[C@@H](CCc1ccccc1)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415102319 394890307 /nfs/dbraw/zinc/89/03/07/394890307.db2.gz DMTJPUADIHDUMA-RDJZCZTQSA-N 2 1 276.424 2.305 20 0 CEADMP C[C@@H](CCc1ccccc1)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415102315 394890335 /nfs/dbraw/zinc/89/03/35/394890335.db2.gz DMTJPUADIHDUMA-DOTOQJQBSA-N 2 1 276.424 2.305 20 0 CEADMP C[C@H](CCc1ccccc1)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415102320 394890357 /nfs/dbraw/zinc/89/03/57/394890357.db2.gz DMTJPUADIHDUMA-WBVHZDCISA-N 2 1 276.424 2.305 20 0 CEADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000415108972 394892396 /nfs/dbraw/zinc/89/23/96/394892396.db2.gz LILMHUQKEMHYCW-COPLHBTASA-N 2 1 251.349 2.402 20 0 CEADMP Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc[nH+]1 ZINC000364360760 394893763 /nfs/dbraw/zinc/89/37/63/394893763.db2.gz LXCWZLBSAYCUNZ-IMJJTQAJSA-N 2 1 257.381 2.311 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1O ZINC000423348111 394895855 /nfs/dbraw/zinc/89/58/55/394895855.db2.gz SMSMCPWTOKBWQL-MLGOLLRUSA-N 2 1 278.396 2.441 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@@H]1C[NH3+] ZINC000415139421 394902530 /nfs/dbraw/zinc/90/25/30/394902530.db2.gz ZQNPSYHPAURZHQ-HIFRSBDPSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@@H]1C[NH3+] ZINC000415139421 394902535 /nfs/dbraw/zinc/90/25/35/394902535.db2.gz ZQNPSYHPAURZHQ-HIFRSBDPSA-N 2 1 284.407 2.493 20 0 CEADMP CC[C@H](C)[C@H](C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338302094 394912582 /nfs/dbraw/zinc/91/25/82/394912582.db2.gz AITKPXVBHBFFRJ-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@H](C)[C@H](C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338302094 394912585 /nfs/dbraw/zinc/91/25/85/394912585.db2.gz AITKPXVBHBFFRJ-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423398032 394915125 /nfs/dbraw/zinc/91/51/25/394915125.db2.gz SUSZOXRMGHEPMG-CZUORRHYSA-N 2 1 289.423 2.263 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423479517 394929440 /nfs/dbraw/zinc/92/94/40/394929440.db2.gz VPDPOJPJAODIEB-CMPLNLGQSA-N 2 1 275.396 2.304 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CSCCc2ccccc21 ZINC000423484779 394931449 /nfs/dbraw/zinc/93/14/49/394931449.db2.gz YWWXBXJTWQXHNG-OCCSQVGLSA-N 2 1 250.411 2.344 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1 ZINC000423500154 394936949 /nfs/dbraw/zinc/93/69/49/394936949.db2.gz CUDDDEFPNIKLPT-FZMZJTMJSA-N 2 1 268.788 2.369 20 0 CEADMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CCC1 ZINC000423501727 394937262 /nfs/dbraw/zinc/93/72/62/394937262.db2.gz BUCPLCQKKTYXOE-JCYILVPMSA-N 2 1 279.472 2.371 20 0 CEADMP CC(C)CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C(C)(C)C ZINC000423502740 394938637 /nfs/dbraw/zinc/93/86/37/394938637.db2.gz FHYVJCJVEDACAI-GJZGRUSLSA-N 2 1 269.477 2.331 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(OC)cc1 ZINC000423505964 394939113 /nfs/dbraw/zinc/93/91/13/394939113.db2.gz GVHUVBPYPLACDM-HOTGVXAUSA-N 2 1 278.396 2.114 20 0 CEADMP [NH3+]CCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000423505811 394939744 /nfs/dbraw/zinc/93/97/44/394939744.db2.gz HYHHPJNHGUSHJU-FCLJQHQZSA-N 2 1 273.424 2.339 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)[C@@H](C)C1CCCCC1 ZINC000423509714 394941124 /nfs/dbraw/zinc/94/11/24/394941124.db2.gz IXUBLHGVGUFYRF-YCPHGPKFSA-N 2 1 267.461 2.085 20 0 CEADMP CSc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423523217 394943563 /nfs/dbraw/zinc/94/35/63/394943563.db2.gz RXXVCFAWKKFQKV-GXTWGEPZSA-N 2 1 280.437 2.438 20 0 CEADMP CC(C)(O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366618861 394950595 /nfs/dbraw/zinc/95/05/95/394950595.db2.gz AZJHIIYMVJBTAX-DZGCQCFKSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)(O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366618861 394950600 /nfs/dbraw/zinc/95/06/00/394950600.db2.gz AZJHIIYMVJBTAX-DZGCQCFKSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)(O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000366618861 394950603 /nfs/dbraw/zinc/95/06/03/394950603.db2.gz AZJHIIYMVJBTAX-DZGCQCFKSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)(O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000366618861 394950606 /nfs/dbraw/zinc/95/06/06/394950606.db2.gz AZJHIIYMVJBTAX-DZGCQCFKSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CCn2ccnc2)C[C@H]1c1ccccc1 ZINC000340182234 394980777 /nfs/dbraw/zinc/98/07/77/394980777.db2.gz XNTDXYJLEFIWEK-SJORKVTESA-N 2 1 284.407 2.308 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCn2ccnc2)C[C@H]1c1ccccc1 ZINC000340182234 394980781 /nfs/dbraw/zinc/98/07/81/394980781.db2.gz XNTDXYJLEFIWEK-SJORKVTESA-N 2 1 284.407 2.308 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000423778913 394982244 /nfs/dbraw/zinc/98/22/44/394982244.db2.gz UNTYRUMUROCCKD-DZKIICNBSA-N 2 1 283.460 2.131 20 0 CEADMP C1CC2(C1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)[C@@H]1CCO[C@@H]12 ZINC000342542100 395016520 /nfs/dbraw/zinc/01/65/20/395016520.db2.gz NVRBYADXCMKRCT-LJIZCISZSA-N 2 1 276.424 2.160 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000153786826 395018575 /nfs/dbraw/zinc/01/85/75/395018575.db2.gz YSSZSULVVMUOQR-CQSZACIVSA-N 2 1 282.432 2.083 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000153786826 395018579 /nfs/dbraw/zinc/01/85/79/395018579.db2.gz YSSZSULVVMUOQR-CQSZACIVSA-N 2 1 282.432 2.083 20 0 CEADMP CC(C)[N@@H+](C)CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416162573 395024813 /nfs/dbraw/zinc/02/48/13/395024813.db2.gz VHKKZAGOGJVSCA-MRXNPFEDSA-N 2 1 291.439 2.136 20 0 CEADMP CC(C)OC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134946681 394960815 /nfs/dbraw/zinc/96/08/15/394960815.db2.gz CUVAIQIBUVQEPH-ZBFHGGJFSA-N 2 1 294.439 2.277 20 0 CEADMP CC(C)=CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371294876 395026927 /nfs/dbraw/zinc/02/69/27/395026927.db2.gz NMQYRIYQEMYXNJ-QLFBSQMISA-N 2 1 252.402 2.136 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158902218 395056788 /nfs/dbraw/zinc/05/67/88/395056788.db2.gz SDCQHGZIJNNHHT-RRFJBIMHSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158902218 395056795 /nfs/dbraw/zinc/05/67/95/395056795.db2.gz SDCQHGZIJNNHHT-RRFJBIMHSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158902218 395056799 /nfs/dbraw/zinc/05/67/99/395056799.db2.gz SDCQHGZIJNNHHT-RRFJBIMHSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158902218 395056802 /nfs/dbraw/zinc/05/68/02/395056802.db2.gz SDCQHGZIJNNHHT-RRFJBIMHSA-N 2 1 295.471 2.096 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCCSC1 ZINC000288479292 395061703 /nfs/dbraw/zinc/06/17/03/395061703.db2.gz PRZVVNSXIGAJER-GFCCVEGCSA-N 2 1 265.426 2.380 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2nccn21 ZINC000345359538 395066084 /nfs/dbraw/zinc/06/60/84/395066084.db2.gz RRRZSJHRPDJVMO-SYQHCUMBSA-N 2 1 260.385 2.105 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCn2ccnc2C)C1 ZINC000162072240 395070464 /nfs/dbraw/zinc/07/04/64/395070464.db2.gz IQHSHFMNBYASSV-MRXNPFEDSA-N 2 1 278.444 2.245 20 0 CEADMP CC(C)[NH2+]CC[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374068705 395071486 /nfs/dbraw/zinc/07/14/86/395071486.db2.gz NCVTUJBDNYNVPL-UGUYLWEFSA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)[NH2+]CC[N@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374068705 395071490 /nfs/dbraw/zinc/07/14/90/395071490.db2.gz NCVTUJBDNYNVPL-UGUYLWEFSA-N 2 1 268.445 2.246 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000163265277 395082480 /nfs/dbraw/zinc/08/24/80/395082480.db2.gz FVWJXQJRHMIPRH-HNNXBMFYSA-N 2 1 263.385 2.084 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000163265277 395082484 /nfs/dbraw/zinc/08/24/84/395082484.db2.gz FVWJXQJRHMIPRH-HNNXBMFYSA-N 2 1 263.385 2.084 20 0 CEADMP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC000158118425 395038309 /nfs/dbraw/zinc/03/83/09/395038309.db2.gz XIVAWPMDTDKWHR-GOOCMWNKSA-N 2 1 275.396 2.195 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](CO)c3ccccc32)CC[N@@H+]1C ZINC000376954249 395131981 /nfs/dbraw/zinc/13/19/81/395131981.db2.gz JSGIRSICZLBIQM-WBOJAVRRSA-N 2 1 274.408 2.280 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](CO)c3ccccc32)CC[N@H+]1C ZINC000376954249 395131985 /nfs/dbraw/zinc/13/19/85/395131985.db2.gz JSGIRSICZLBIQM-WBOJAVRRSA-N 2 1 274.408 2.280 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428030969 395132687 /nfs/dbraw/zinc/13/26/87/395132687.db2.gz GBBTWOZEAIAGBF-UGUYLWEFSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428030969 395132689 /nfs/dbraw/zinc/13/26/89/395132689.db2.gz GBBTWOZEAIAGBF-UGUYLWEFSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428038894 395133376 /nfs/dbraw/zinc/13/33/76/395133376.db2.gz ZWZQCLKHHPVTLT-HOTGVXAUSA-N 2 1 274.408 2.366 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428038894 395133379 /nfs/dbraw/zinc/13/33/79/395133379.db2.gz ZWZQCLKHHPVTLT-HOTGVXAUSA-N 2 1 274.408 2.366 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346838479 395109240 /nfs/dbraw/zinc/10/92/40/395109240.db2.gz XNEGYGPRMOCMQI-YUTCNCBUSA-N 2 1 276.428 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000348207292 395138679 /nfs/dbraw/zinc/13/86/79/395138679.db2.gz OSTQNCKPJIMDJG-SYQHCUMBSA-N 2 1 256.459 2.448 20 0 CEADMP c1ccc(CCOCCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428039567 395134360 /nfs/dbraw/zinc/13/43/60/395134360.db2.gz RYNIDLIXRKSWGB-ZWKOTPCHSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000178233355 395164134 /nfs/dbraw/zinc/16/41/34/395164134.db2.gz VCWUDPUFTNOYIN-JKIFEVAISA-N 2 1 288.435 2.482 20 0 CEADMP CC[C@@]1(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC[NH2+]C1 ZINC000378226050 395153178 /nfs/dbraw/zinc/15/31/78/395153178.db2.gz VHDZTCVJUCXXKQ-WMLDXEAASA-N 2 1 295.471 2.003 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000349054717 395157114 /nfs/dbraw/zinc/15/71/14/395157114.db2.gz GSBUXKZQKJUQGU-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000349054717 395157121 /nfs/dbraw/zinc/15/71/21/395157121.db2.gz GSBUXKZQKJUQGU-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000349054717 395157125 /nfs/dbraw/zinc/15/71/25/395157125.db2.gz GSBUXKZQKJUQGU-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC12CCOCC2 ZINC000437026931 395174337 /nfs/dbraw/zinc/17/43/37/395174337.db2.gz XNTAFMGLHFSNSL-TUVASFSCSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178956060 395176850 /nfs/dbraw/zinc/17/68/50/395176850.db2.gz XWQISSJGJRKTFX-CQSZACIVSA-N 2 1 299.422 2.260 20 0 CEADMP c1cc(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)o2)n[nH]1 ZINC000433338440 395225495 /nfs/dbraw/zinc/22/54/95/395225495.db2.gz WBOHNANGNFUNEJ-LBPRGKRZSA-N 2 1 286.379 2.244 20 0 CEADMP c1cc(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)o2)n[nH]1 ZINC000433338440 395225497 /nfs/dbraw/zinc/22/54/97/395225497.db2.gz WBOHNANGNFUNEJ-LBPRGKRZSA-N 2 1 286.379 2.244 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cn[nH]c3)CC2)[nH+]1 ZINC000438835943 395230421 /nfs/dbraw/zinc/23/04/21/395230421.db2.gz MMYRXNZHXWVMDD-ZDUSSCGKSA-N 2 1 285.395 2.433 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000520216690 395237278 /nfs/dbraw/zinc/23/72/78/395237278.db2.gz QBVDHTREGJWNJY-LBPRGKRZSA-N 2 1 266.385 2.354 20 0 CEADMP c1ccc(COC[C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000384055905 395189374 /nfs/dbraw/zinc/18/93/74/395189374.db2.gz XJVYHDKAWBJRAJ-SJORKVTESA-N 2 1 274.408 2.135 20 0 CEADMP Clc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000518727252 395193212 /nfs/dbraw/zinc/19/32/12/395193212.db2.gz CZDPRINVRLSWNE-NHAGDIPZSA-N 2 1 288.782 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000180253046 395201367 /nfs/dbraw/zinc/20/13/67/395201367.db2.gz YUYREMHZYILQOX-APIJFGDWSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C[NH3+])C(C)C)C1 ZINC000433158106 395206668 /nfs/dbraw/zinc/20/66/68/395206668.db2.gz IRDSQCJBIZFUGF-HUUCEWRRSA-N 2 1 297.487 2.234 20 0 CEADMP CC[C@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000181118750 395210277 /nfs/dbraw/zinc/21/02/77/395210277.db2.gz SGSBJIPPRAZXIY-HRCADAONSA-N 2 1 267.461 2.275 20 0 CEADMP CC[N@H+]1CCC[C@H](CNCc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433305334 395219900 /nfs/dbraw/zinc/21/99/00/395219900.db2.gz NEPUJMWCWPPSOJ-CYBMUJFWSA-N 2 1 288.395 2.491 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433305334 395219905 /nfs/dbraw/zinc/21/99/05/395219905.db2.gz NEPUJMWCWPPSOJ-CYBMUJFWSA-N 2 1 288.395 2.491 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433305334 395219910 /nfs/dbraw/zinc/21/99/10/395219910.db2.gz NEPUJMWCWPPSOJ-CYBMUJFWSA-N 2 1 288.395 2.491 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433309478 395220935 /nfs/dbraw/zinc/22/09/35/395220935.db2.gz AAVPYDSDDHYIFC-ZDUSSCGKSA-N 2 1 288.395 2.491 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433309478 395220942 /nfs/dbraw/zinc/22/09/42/395220942.db2.gz AAVPYDSDDHYIFC-ZDUSSCGKSA-N 2 1 288.395 2.491 20 0 CEADMP Cc1noc(C)c1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397315189 395222932 /nfs/dbraw/zinc/22/29/32/395222932.db2.gz QOGWWMLCGQEFOE-CWSCBRNRSA-N 2 1 251.374 2.097 20 0 CEADMP Cc1ncc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)s1 ZINC000397312586 395223239 /nfs/dbraw/zinc/22/32/39/395223239.db2.gz PHAVDQJRZPPEIU-FOGDFJRCSA-N 2 1 253.415 2.257 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186476785 395291479 /nfs/dbraw/zinc/29/14/79/395291479.db2.gz RCHKYJVZLGNJIZ-PBHICJAKSA-N 2 1 291.439 2.134 20 0 CEADMP CCOC(=O)C[C@](C)([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000186690588 395292851 /nfs/dbraw/zinc/29/28/51/395292851.db2.gz SJCLGBUJSFZFSR-ZBFHGGJFSA-N 2 1 284.444 2.428 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1(C(=O)OC)CCC1 ZINC000353545322 395301875 /nfs/dbraw/zinc/30/18/75/395301875.db2.gz SHTGBEPQRSMDEQ-HIFRSBDPSA-N 2 1 294.439 2.182 20 0 CEADMP COc1ccc([C@@H](CO)[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420296064 395302239 /nfs/dbraw/zinc/30/22/39/395302239.db2.gz CYNVRXAVYQRBQE-WMLDXEAASA-N 2 1 292.423 2.050 20 0 CEADMP COc1ccc([C@H](CO)[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420296065 395302485 /nfs/dbraw/zinc/30/24/85/395302485.db2.gz CYNVRXAVYQRBQE-YOEHRIQHSA-N 2 1 292.423 2.050 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000420295565 395302618 /nfs/dbraw/zinc/30/26/18/395302618.db2.gz VNVQZYHVUNACSR-UKRRQHHQSA-N 2 1 262.397 2.297 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353590737 395303275 /nfs/dbraw/zinc/30/32/75/395303275.db2.gz UXDVERDBZGFXIK-JYJNAYRXSA-N 2 1 292.467 2.392 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000353626068 395303605 /nfs/dbraw/zinc/30/36/05/395303605.db2.gz TZXHZIDSYVZNRQ-NRSFXHEJSA-N 2 1 288.435 2.082 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H](CCO)c1ccccc1 ZINC000420297943 395303760 /nfs/dbraw/zinc/30/37/60/395303760.db2.gz GRODNULJABUDPI-WBVHZDCISA-N 2 1 276.424 2.432 20 0 CEADMP COC(=O)CC1(C[N@H+](CCC[NH3+])Cc2ccccc2)CC1 ZINC000420305220 395309122 /nfs/dbraw/zinc/30/91/22/395309122.db2.gz GGDUWLGNQXPRSW-UHFFFAOYSA-N 2 1 290.407 2.181 20 0 CEADMP COC(=O)CC1(C[N@@H+](CCC[NH3+])Cc2ccccc2)CC1 ZINC000420305220 395309126 /nfs/dbraw/zinc/30/91/26/395309126.db2.gz GGDUWLGNQXPRSW-UHFFFAOYSA-N 2 1 290.407 2.181 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc4cccnc4s3)C[C@H]21 ZINC000420311249 395314312 /nfs/dbraw/zinc/31/43/12/395314312.db2.gz QRVWMLAPGHOUER-QJPTWQEYSA-N 2 1 288.420 2.251 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc4cccnc4s3)C[C@H]21 ZINC000420311249 395314319 /nfs/dbraw/zinc/31/43/19/395314319.db2.gz QRVWMLAPGHOUER-QJPTWQEYSA-N 2 1 288.420 2.251 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000434688685 395323835 /nfs/dbraw/zinc/32/38/35/395323835.db2.gz ORUAFOOENJHQKP-LZWOXQAQSA-N 2 1 289.423 2.066 20 0 CEADMP C[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000352716924 395266814 /nfs/dbraw/zinc/26/68/14/395266814.db2.gz IKYANZFODIHJME-STQMWFEESA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H](F)C[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000440528792 395323953 /nfs/dbraw/zinc/32/39/53/395323953.db2.gz WGRZGKHCWVZLAD-CWRNSKLLSA-N 2 1 296.434 2.483 20 0 CEADMP CC[C@H](F)CN(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000440528792 395323956 /nfs/dbraw/zinc/32/39/56/395323956.db2.gz WGRZGKHCWVZLAD-CWRNSKLLSA-N 2 1 296.434 2.483 20 0 CEADMP CC[C@H](F)CN(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000440528792 395323962 /nfs/dbraw/zinc/32/39/62/395323962.db2.gz WGRZGKHCWVZLAD-CWRNSKLLSA-N 2 1 296.434 2.483 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCC(C)(C)O2)CC[N@@H+]1C ZINC000184659038 395273624 /nfs/dbraw/zinc/27/36/24/395273624.db2.gz CPZMYEFOZKYQII-RDBSUJKOSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCC(C)(C)O2)CC[N@H+]1C ZINC000184659038 395273629 /nfs/dbraw/zinc/27/36/29/395273629.db2.gz CPZMYEFOZKYQII-RDBSUJKOSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC(C)(C)O2)CC[NH+]1C ZINC000184659038 395273632 /nfs/dbraw/zinc/27/36/32/395273632.db2.gz CPZMYEFOZKYQII-RDBSUJKOSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC(C)(C)O2)CC[NH+]1C ZINC000184659038 395273634 /nfs/dbraw/zinc/27/36/34/395273634.db2.gz CPZMYEFOZKYQII-RDBSUJKOSA-N 2 1 254.418 2.359 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC[C@@H]1CCCC[NH+]1C ZINC000420321646 395324474 /nfs/dbraw/zinc/32/44/74/395324474.db2.gz RIWPEZLSZGGYRC-HOTGVXAUSA-N 3 1 267.461 2.182 20 0 CEADMP C[NH+](CC[C@@H]1CCC[NH2+]C1)CC[C@@H]1CCCC[N@@H+]1C ZINC000420321646 395324480 /nfs/dbraw/zinc/32/44/80/395324480.db2.gz RIWPEZLSZGGYRC-HOTGVXAUSA-N 3 1 267.461 2.182 20 0 CEADMP C[NH+](CC[C@@H]1CCC[NH2+]C1)CC[C@@H]1CCCC[N@H+]1C ZINC000420321646 395324484 /nfs/dbraw/zinc/32/44/84/395324484.db2.gz RIWPEZLSZGGYRC-HOTGVXAUSA-N 3 1 267.461 2.182 20 0 CEADMP CN1CCCC[C@H]1CC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420321646 395324486 /nfs/dbraw/zinc/32/44/86/395324486.db2.gz RIWPEZLSZGGYRC-HOTGVXAUSA-N 2 1 267.461 2.182 20 0 CEADMP CN1CCCC[C@H]1CC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420321646 395324491 /nfs/dbraw/zinc/32/44/91/395324491.db2.gz RIWPEZLSZGGYRC-HOTGVXAUSA-N 2 1 267.461 2.182 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420374322 395360633 /nfs/dbraw/zinc/36/06/33/395360633.db2.gz NMFTZIBNLLJZGA-LBPRGKRZSA-N 2 1 280.334 2.031 20 0 CEADMP Cn1nccc1[C@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000420374173 395360698 /nfs/dbraw/zinc/36/06/98/395360698.db2.gz NOYPBKOJSUBPEB-MRXNPFEDSA-N 2 1 276.428 2.337 20 0 CEADMP CCC1(CC)CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000420376332 395361721 /nfs/dbraw/zinc/36/17/21/395361721.db2.gz QLHKSVJAQAVDJY-UHFFFAOYSA-N 2 1 295.471 2.101 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420376136 395362172 /nfs/dbraw/zinc/36/21/72/395362172.db2.gz AGZXQVCNICWZPI-CABCVRRESA-N 2 1 282.428 2.184 20 0 CEADMP CCCNC(=O)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000435326480 395363698 /nfs/dbraw/zinc/36/36/98/395363698.db2.gz DBCMJTNANMGSMC-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCNC(=O)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000435326480 395363704 /nfs/dbraw/zinc/36/37/04/395363704.db2.gz DBCMJTNANMGSMC-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCNC(=O)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000435326480 395363707 /nfs/dbraw/zinc/36/37/07/395363707.db2.gz DBCMJTNANMGSMC-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCNC(=O)[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000435326485 395363776 /nfs/dbraw/zinc/36/37/76/395363776.db2.gz DBCMJTNANMGSMC-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCNC(=O)[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000435326485 395363779 /nfs/dbraw/zinc/36/37/79/395363779.db2.gz DBCMJTNANMGSMC-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCNC(=O)[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000435326485 395363785 /nfs/dbraw/zinc/36/37/85/395363785.db2.gz DBCMJTNANMGSMC-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000420377964 395363945 /nfs/dbraw/zinc/36/39/45/395363945.db2.gz TVFQRFGPXCHHLW-KBPBESRZSA-N 2 1 299.459 2.202 20 0 CEADMP C(C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1)C1CC[NH2+]CC1 ZINC000420379311 395364131 /nfs/dbraw/zinc/36/41/31/395364131.db2.gz VDAACBJGYXYIIT-AWEZNQCLSA-N 2 1 290.411 2.126 20 0 CEADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420377927 395364328 /nfs/dbraw/zinc/36/43/28/395364328.db2.gz SXBOLMGKGADTTQ-KBPBESRZSA-N 2 1 262.401 2.163 20 0 CEADMP CN(C)c1ncc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000355206194 395365453 /nfs/dbraw/zinc/36/54/53/395365453.db2.gz LKVBUDSFMULJQJ-TZMCWYRMSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000355206194 395365457 /nfs/dbraw/zinc/36/54/57/395365457.db2.gz LKVBUDSFMULJQJ-TZMCWYRMSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000355206194 395365464 /nfs/dbraw/zinc/36/54/64/395365464.db2.gz LKVBUDSFMULJQJ-TZMCWYRMSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000355206194 395365466 /nfs/dbraw/zinc/36/54/66/395365466.db2.gz LKVBUDSFMULJQJ-TZMCWYRMSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000355206194 395365471 /nfs/dbraw/zinc/36/54/71/395365471.db2.gz LKVBUDSFMULJQJ-TZMCWYRMSA-N 2 1 294.468 2.125 20 0 CEADMP C[NH2+]CCCN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000420383364 395367327 /nfs/dbraw/zinc/36/73/27/395367327.db2.gz ZKKYBHSHVTVENP-ZDUSSCGKSA-N 2 1 267.442 2.036 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)o1 ZINC000435373105 395367479 /nfs/dbraw/zinc/36/74/79/395367479.db2.gz LXZWXJKIMDBXRR-JQWIXIFHSA-N 2 1 274.368 2.147 20 0 CEADMP c1cc(CCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccn1 ZINC000420398559 395371157 /nfs/dbraw/zinc/37/11/57/395371157.db2.gz NGJULMUWUNVOOY-SJORKVTESA-N 2 1 273.424 2.478 20 0 CEADMP C[C@H]1CC[N@@H+](CCN(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420404579 395372772 /nfs/dbraw/zinc/37/27/72/395372772.db2.gz MFMJUWJMRSAVTJ-GJZGRUSLSA-N 2 1 261.413 2.040 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CNCc2cocn2)C1 ZINC000192334756 395380957 /nfs/dbraw/zinc/38/09/57/395380957.db2.gz KQKHFMCFMWZKEX-ZDUSSCGKSA-N 2 1 251.374 2.132 20 0 CEADMP CC[N@@H+](CCC[NH2+]C)[C@H](COC)Cc1ccccc1 ZINC000435883423 395394478 /nfs/dbraw/zinc/39/44/78/395394478.db2.gz KTJLWWJURCVHCN-INIZCTEOSA-N 2 1 264.413 2.176 20 0 CEADMP COc1cc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)ccc1O ZINC000420327381 395329136 /nfs/dbraw/zinc/32/91/36/395329136.db2.gz YPRQDWKXOPIKSQ-CYBMUJFWSA-N 2 1 278.396 2.222 20 0 CEADMP CC(C)n1ccnc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329470 395331502 /nfs/dbraw/zinc/33/15/02/395331502.db2.gz OIUIUCRAUAECTE-LSDHHAIUSA-N 2 1 276.428 2.286 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420334724 395332750 /nfs/dbraw/zinc/33/27/50/395332750.db2.gz LBWKXTFKGRSKEX-GASCZTMLSA-N 2 1 296.418 2.370 20 0 CEADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420348936 395339372 /nfs/dbraw/zinc/33/93/72/395339372.db2.gz BFEBSDSDWYVSLC-IUODEOHRSA-N 2 1 250.386 2.122 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)[C@H]1C ZINC000442878069 395397207 /nfs/dbraw/zinc/39/72/07/395397207.db2.gz SEIZFOYYQWHMEA-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000565530342 395474445 /nfs/dbraw/zinc/47/44/45/395474445.db2.gz CVXXVCVWZVVWSL-CQSZACIVSA-N 2 1 272.396 2.383 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000565530342 395474446 /nfs/dbraw/zinc/47/44/46/395474446.db2.gz CVXXVCVWZVVWSL-CQSZACIVSA-N 2 1 272.396 2.383 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4cc[nH]c4c3)C[C@@H]2C1 ZINC000529553099 395402954 /nfs/dbraw/zinc/40/29/54/395402954.db2.gz DARMBVMNWRPOFP-GASCZTMLSA-N 2 1 255.365 2.161 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)C[C@@H]2C1 ZINC000529553099 395402958 /nfs/dbraw/zinc/40/29/58/395402958.db2.gz DARMBVMNWRPOFP-GASCZTMLSA-N 2 1 255.365 2.161 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@@H]2C1 ZINC000529553099 395402962 /nfs/dbraw/zinc/40/29/62/395402962.db2.gz DARMBVMNWRPOFP-GASCZTMLSA-N 2 1 255.365 2.161 20 0 CEADMP CCc1[nH+]ccn1[C@H]1CCCN(CC[NH2+]C(C)C)C1 ZINC000193439704 395408165 /nfs/dbraw/zinc/40/81/65/395408165.db2.gz NEIPFQOKVIQXES-AWEZNQCLSA-N 2 1 264.417 2.080 20 0 CEADMP C[C@@H]1C[C@H](NCC[NH+]2CCCC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000444014681 395411845 /nfs/dbraw/zinc/41/18/45/395411845.db2.gz YFEIFUVJEAMYQQ-CABCVRRESA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@H](NCC[NH+]2CCCC(C)(C)C2)C[N@H+]1C1CC1 ZINC000444014681 395411849 /nfs/dbraw/zinc/41/18/49/395411849.db2.gz YFEIFUVJEAMYQQ-CABCVRRESA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@H](NCC[N@@H+]2CCCC(C)(C)C2)C[NH+]1C1CC1 ZINC000444014681 395411851 /nfs/dbraw/zinc/41/18/51/395411851.db2.gz YFEIFUVJEAMYQQ-CABCVRRESA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@H](NCC[N@H+]2CCCC(C)(C)C2)C[NH+]1C1CC1 ZINC000444014681 395411854 /nfs/dbraw/zinc/41/18/54/395411854.db2.gz YFEIFUVJEAMYQQ-CABCVRRESA-N 2 1 279.472 2.323 20 0 CEADMP C=Cn1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cn1 ZINC000194416981 395435373 /nfs/dbraw/zinc/43/53/73/395435373.db2.gz KXDMZLRRVWGGGJ-UHFFFAOYSA-N 2 1 262.401 2.195 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000444613659 395439788 /nfs/dbraw/zinc/43/97/88/395439788.db2.gz WCKZNANMQJNLNF-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444613659 395439789 /nfs/dbraw/zinc/43/97/89/395439789.db2.gz WCKZNANMQJNLNF-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000444613659 395439790 /nfs/dbraw/zinc/43/97/90/395439790.db2.gz WCKZNANMQJNLNF-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CCO[C@@H]2CCCCO2)C1 ZINC000444643000 395442850 /nfs/dbraw/zinc/44/28/50/395442850.db2.gz BRMKFFBGENONOD-IAGOWNOFSA-N 2 1 296.455 2.193 20 0 CEADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000444643000 395442851 /nfs/dbraw/zinc/44/28/51/395442851.db2.gz BRMKFFBGENONOD-IAGOWNOFSA-N 2 1 296.455 2.193 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000444643000 395442853 /nfs/dbraw/zinc/44/28/53/395442853.db2.gz BRMKFFBGENONOD-IAGOWNOFSA-N 2 1 296.455 2.193 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000444643000 395442855 /nfs/dbraw/zinc/44/28/55/395442855.db2.gz BRMKFFBGENONOD-IAGOWNOFSA-N 2 1 296.455 2.193 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000444643000 395442857 /nfs/dbraw/zinc/44/28/57/395442857.db2.gz BRMKFFBGENONOD-IAGOWNOFSA-N 2 1 296.455 2.193 20 0 CEADMP Nc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000566245659 395507534 /nfs/dbraw/zinc/50/75/34/395507534.db2.gz OXLUQJPYZWBCKF-JKSUJKDBSA-N 2 1 259.397 2.375 20 0 CEADMP Nc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000566245659 395507537 /nfs/dbraw/zinc/50/75/37/395507537.db2.gz OXLUQJPYZWBCKF-JKSUJKDBSA-N 2 1 259.397 2.375 20 0 CEADMP COCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000566412530 395519252 /nfs/dbraw/zinc/51/92/52/395519252.db2.gz WGIAGXRKXCKPFC-UKRRQHHQSA-N 2 1 278.396 2.023 20 0 CEADMP CC(C)C[C@@]1(C)CCC[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000451292063 395603705 /nfs/dbraw/zinc/60/37/05/395603705.db2.gz SHPTWLGKCMHGKS-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@@]1(C)CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000451292063 395603706 /nfs/dbraw/zinc/60/37/06/395603706.db2.gz SHPTWLGKCMHGKS-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@@]1(C)CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000451292063 395603707 /nfs/dbraw/zinc/60/37/07/395603707.db2.gz SHPTWLGKCMHGKS-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@@]1(C)CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000451292063 395603708 /nfs/dbraw/zinc/60/37/08/395603708.db2.gz SHPTWLGKCMHGKS-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@@]1(C)CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000451292063 395603709 /nfs/dbraw/zinc/60/37/09/395603709.db2.gz SHPTWLGKCMHGKS-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP COc1cc2c(cc1C[NH2+]C1(C)CC[NH2+]CC1)O[C@H](C)C2 ZINC000574020655 395624482 /nfs/dbraw/zinc/62/44/82/395624482.db2.gz RMTPAZADRMQHBH-GFCCVEGCSA-N 2 1 290.407 2.250 20 0 CEADMP C[C@@H]1CC[N@@H+](CC(=O)N(CC[NH+](C)C)C2CCCCC2)C1 ZINC000574051898 395625647 /nfs/dbraw/zinc/62/56/47/395625647.db2.gz OJVKZWHDJSPVMP-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000574509984 395631306 /nfs/dbraw/zinc/63/13/06/395631306.db2.gz OPGTVLDJBYAOSN-OAHLLOKOSA-N 2 1 287.411 2.051 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000574509984 395631307 /nfs/dbraw/zinc/63/13/07/395631307.db2.gz OPGTVLDJBYAOSN-OAHLLOKOSA-N 2 1 287.411 2.051 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000574747774 395636388 /nfs/dbraw/zinc/63/63/88/395636388.db2.gz CQXHXPQFBBOELV-CQSZACIVSA-N 2 1 289.423 2.464 20 0 CEADMP c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CO2 ZINC000493907887 395677915 /nfs/dbraw/zinc/67/79/15/395677915.db2.gz PXUSFJPQQVHDNP-HOCLYGCPSA-N 2 1 286.419 2.454 20 0 CEADMP C[N@@H+](Cc1ccc2cnccc2c1)C1CC[NH2+]CC1 ZINC000647484078 395720772 /nfs/dbraw/zinc/72/07/72/395720772.db2.gz YWAUZKKJHBGTMX-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000647493420 395721058 /nfs/dbraw/zinc/72/10/58/395721058.db2.gz NPSZTMRAOBFCPP-CYBMUJFWSA-N 2 1 255.365 2.276 20 0 CEADMP CC[C@@H](C[N@@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647492814 395721069 /nfs/dbraw/zinc/72/10/69/395721069.db2.gz BEFMRZVNCOVFDR-INIZCTEOSA-N 2 1 275.440 2.017 20 0 CEADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCC(C)(C)C1 ZINC000647493099 395721164 /nfs/dbraw/zinc/72/11/64/395721164.db2.gz UMCWQMQEGHBJFX-OAHLLOKOSA-N 2 1 267.461 2.040 20 0 CEADMP CC(C)[C@@H](C[N@@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647492626 395721227 /nfs/dbraw/zinc/72/12/27/395721227.db2.gz OKBXDOSRPATJNE-GOSISDBHSA-N 2 1 289.467 2.263 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)n1 ZINC000647498160 395721443 /nfs/dbraw/zinc/72/14/43/395721443.db2.gz BPNSIVTVUGLDTQ-JSGCOSHPSA-N 2 1 263.385 2.040 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)n1 ZINC000647498160 395721445 /nfs/dbraw/zinc/72/14/45/395721445.db2.gz BPNSIVTVUGLDTQ-JSGCOSHPSA-N 2 1 263.385 2.040 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccc(N(C)CC)nc2)CC[C@@H]1[NH3+] ZINC000647497331 395721682 /nfs/dbraw/zinc/72/16/82/395721682.db2.gz CVXDPUFVXKEWIN-CABCVRRESA-N 2 1 276.428 2.097 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(N(C)CC)nc2)CC[C@@H]1[NH3+] ZINC000647497331 395721684 /nfs/dbraw/zinc/72/16/84/395721684.db2.gz CVXDPUFVXKEWIN-CABCVRRESA-N 2 1 276.428 2.097 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2c(C)cc(OC)nc2C)CC[C@H]1[NH3+] ZINC000647498798 395722389 /nfs/dbraw/zinc/72/23/89/395722389.db2.gz RDCAHXYQUYISLQ-UKRRQHHQSA-N 2 1 277.412 2.266 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2c(C)cc(OC)nc2C)CC[C@H]1[NH3+] ZINC000647498798 395722391 /nfs/dbraw/zinc/72/23/91/395722391.db2.gz RDCAHXYQUYISLQ-UKRRQHHQSA-N 2 1 277.412 2.266 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@H]2CCCC(C)(C)C2)CCO1 ZINC000647506679 395723135 /nfs/dbraw/zinc/72/31/35/395723135.db2.gz AEOBPIUUPKZOGM-MELADBBJSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@H]2CCCC(C)(C)C2)CCO1 ZINC000647506679 395723136 /nfs/dbraw/zinc/72/31/36/395723136.db2.gz AEOBPIUUPKZOGM-MELADBBJSA-N 2 1 254.418 2.251 20 0 CEADMP CC1([NH3+])CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000647531436 395727298 /nfs/dbraw/zinc/72/72/98/395727298.db2.gz WQOHXMOZPXZKHB-UHFFFAOYSA-N 2 1 276.409 2.451 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647542697 395730705 /nfs/dbraw/zinc/73/07/05/395730705.db2.gz ACUHYQOICROOCH-CABCVRRESA-N 2 1 289.423 2.307 20 0 CEADMP CCn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543257 395730874 /nfs/dbraw/zinc/73/08/74/395730874.db2.gz KDYFATUPKVKXAT-CVEARBPZSA-N 2 1 276.428 2.115 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccn1 ZINC000647544104 395731690 /nfs/dbraw/zinc/73/16/90/395731690.db2.gz WTTXXJOXHWGOJG-JKSUJKDBSA-N 2 1 259.397 2.293 20 0 CEADMP C[C@@H](CCCc1cccnc1)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647551812 395733758 /nfs/dbraw/zinc/73/37/58/395733758.db2.gz NRWXGBPGIUMABF-OFQRWUPVSA-N 2 1 261.413 2.380 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647790361 395755065 /nfs/dbraw/zinc/75/50/65/395755065.db2.gz WVKLJQUITSOUPO-BRSBDYLESA-N 3 1 293.499 2.476 20 0 CEADMP c1cc(CC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc2c1OCC2 ZINC000647814787 395759374 /nfs/dbraw/zinc/75/93/74/395759374.db2.gz GCRSNFPQYFAHBZ-UHFFFAOYSA-N 2 1 286.419 2.380 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000647826848 395760642 /nfs/dbraw/zinc/76/06/42/395760642.db2.gz BOHPWVINSXYOOQ-BBRMVZONSA-N 2 1 294.443 2.276 20 0 CEADMP Cc1cc(N2CCC3(C2)CC[NH+](C)CC3)nc(C)[nH+]1 ZINC000647843027 395762293 /nfs/dbraw/zinc/76/22/93/395762293.db2.gz ZAIPWLOWFNMFAB-UHFFFAOYSA-N 2 1 260.385 2.016 20 0 CEADMP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCC[NH3+])cc1 ZINC000647849000 395763643 /nfs/dbraw/zinc/76/36/43/395763643.db2.gz DARGCCUHPWCDHI-KGLIPLIRSA-N 2 1 291.439 2.095 20 0 CEADMP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+])cc1 ZINC000647849000 395763644 /nfs/dbraw/zinc/76/36/44/395763644.db2.gz DARGCCUHPWCDHI-KGLIPLIRSA-N 2 1 291.439 2.095 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000647870871 395766460 /nfs/dbraw/zinc/76/64/60/395766460.db2.gz HYUMBOQNACYUBC-UONOGXRCSA-N 2 1 294.443 2.228 20 0 CEADMP COc1ccccc1[C@@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000647884472 395769184 /nfs/dbraw/zinc/76/91/84/395769184.db2.gz UNNSRLKSKFDOMH-HNNXBMFYSA-N 2 1 278.396 2.198 20 0 CEADMP CO[C@](C)(C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000647911014 395772579 /nfs/dbraw/zinc/77/25/79/395772579.db2.gz NSUTUDPNSCVFQT-AEGPPILISA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@](C)(C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000647911014 395772582 /nfs/dbraw/zinc/77/25/82/395772582.db2.gz NSUTUDPNSCVFQT-AEGPPILISA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@](C)(C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000647911014 395772585 /nfs/dbraw/zinc/77/25/85/395772585.db2.gz NSUTUDPNSCVFQT-AEGPPILISA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@](C)(C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000647911014 395772588 /nfs/dbraw/zinc/77/25/88/395772588.db2.gz NSUTUDPNSCVFQT-AEGPPILISA-N 2 1 254.418 2.216 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](C[C@]2(C)CCCS2)CC1 ZINC000647911131 395772630 /nfs/dbraw/zinc/77/26/30/395772630.db2.gz SJYHQKMSTVKPOH-HNNXBMFYSA-N 2 1 286.485 2.051 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000647971024 395791542 /nfs/dbraw/zinc/79/15/42/395791542.db2.gz PMOUTCKFSPZYHK-SJORKVTESA-N 2 1 276.424 2.428 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000647971024 395791546 /nfs/dbraw/zinc/79/15/46/395791546.db2.gz PMOUTCKFSPZYHK-SJORKVTESA-N 2 1 276.424 2.428 20 0 CEADMP C(c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976809 395793186 /nfs/dbraw/zinc/79/31/86/395793186.db2.gz UNYFMPXVKWETGJ-UONOGXRCSA-N 2 1 290.411 2.159 20 0 CEADMP C(c1nc(C2CC2)no1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976809 395793189 /nfs/dbraw/zinc/79/31/89/395793189.db2.gz UNYFMPXVKWETGJ-UONOGXRCSA-N 2 1 290.411 2.159 20 0 CEADMP c1ccc(N[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647989134 395796359 /nfs/dbraw/zinc/79/63/59/395796359.db2.gz NIJWILUHXRGTJC-GDBMZVCRSA-N 2 1 259.397 2.172 20 0 CEADMP FC(F)CN1CCC[N@@H+](CCCC2CC[NH2+]CC2)CC1 ZINC000647991209 395797681 /nfs/dbraw/zinc/79/76/81/395797681.db2.gz KDGHIUVMWINCGS-UHFFFAOYSA-N 2 1 289.414 2.039 20 0 CEADMP COc1cc2ccccc2cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000648385258 395899319 /nfs/dbraw/zinc/89/93/19/395899319.db2.gz XNVOURMKZKYKJV-IAGOWNOFSA-N 2 1 282.387 2.500 20 0 CEADMP CCCN(C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[C@@H]1CC[N@@H+](C)C1 ZINC000649001518 396040203 /nfs/dbraw/zinc/04/02/03/396040203.db2.gz NWRZHNUCBRWLLS-XUWVNRHRSA-N 2 1 295.471 2.190 20 0 CEADMP CCCN(C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[C@@H]1CC[NH+](C)C1 ZINC000649001518 396040208 /nfs/dbraw/zinc/04/02/08/396040208.db2.gz NWRZHNUCBRWLLS-XUWVNRHRSA-N 2 1 295.471 2.190 20 0 CEADMP CCCN(C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[C@@H]1CC[NH+](C)C1 ZINC000649001518 396040209 /nfs/dbraw/zinc/04/02/09/396040209.db2.gz NWRZHNUCBRWLLS-XUWVNRHRSA-N 2 1 295.471 2.190 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCC(C)(C)[NH3+] ZINC000649294812 396114087 /nfs/dbraw/zinc/11/40/87/396114087.db2.gz FKTRHQFTNOBDEI-AWEZNQCLSA-N 2 1 283.460 2.275 20 0 CEADMP CN(CCC[N@@H+](C)Cc1ccco1)C[C@H]1CCC[NH+]1C ZINC000649611476 396209291 /nfs/dbraw/zinc/20/92/91/396209291.db2.gz YUDCMPJAHDIWKE-OAHLLOKOSA-N 2 1 279.428 2.128 20 0 CEADMP CN(CCC[NH+](C)Cc1ccco1)C[C@H]1CCC[N@@H+]1C ZINC000649611476 396209295 /nfs/dbraw/zinc/20/92/95/396209295.db2.gz YUDCMPJAHDIWKE-OAHLLOKOSA-N 2 1 279.428 2.128 20 0 CEADMP CN(CCC[NH+](C)Cc1ccco1)C[C@H]1CCC[N@H+]1C ZINC000649611476 396209296 /nfs/dbraw/zinc/20/92/96/396209296.db2.gz YUDCMPJAHDIWKE-OAHLLOKOSA-N 2 1 279.428 2.128 20 0 CEADMP Cc1cc(C)n(-c2ccc(C[N@@H+](C)CCC[NH3+])cc2)n1 ZINC000649410081 396145368 /nfs/dbraw/zinc/14/53/68/396145368.db2.gz NKUYTZYJHBWNCB-UHFFFAOYSA-N 2 1 272.396 2.270 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000649418034 396149447 /nfs/dbraw/zinc/14/94/47/396149447.db2.gz VXRRPLNPJULRKH-IAGOWNOFSA-N 2 1 290.455 2.212 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000649488097 396167370 /nfs/dbraw/zinc/16/73/70/396167370.db2.gz BWRDGFKZYHMMTA-UHFFFAOYSA-N 2 1 290.455 2.383 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C[C@H]2CCC[NH+]2C)C1 ZINC000649549262 396185467 /nfs/dbraw/zinc/18/54/67/396185467.db2.gz ZZOYYITTWDFXCM-MSOLQXFVSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C[C@H]2CCC[N@@H+]2C)C1 ZINC000649549262 396185471 /nfs/dbraw/zinc/18/54/71/396185471.db2.gz ZZOYYITTWDFXCM-MSOLQXFVSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C[C@H]2CCC[N@H+]2C)C1 ZINC000649549262 396185474 /nfs/dbraw/zinc/18/54/74/396185474.db2.gz ZZOYYITTWDFXCM-MSOLQXFVSA-N 2 1 287.451 2.287 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1F ZINC000649728047 396242253 /nfs/dbraw/zinc/24/22/53/396242253.db2.gz ZGTTWGMWJHVPRC-UKRRQHHQSA-N 2 1 280.387 2.241 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](CC1CCCCC1)CCO2 ZINC000646102682 396294154 /nfs/dbraw/zinc/29/41/54/396294154.db2.gz NTVYALDJIAJDFZ-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CCC[NH3+])cc1 ZINC000646783233 396381526 /nfs/dbraw/zinc/38/15/26/396381526.db2.gz WKFGRVUAEQRCDU-UHFFFAOYSA-N 2 1 291.439 2.339 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CO1 ZINC000647171175 396427901 /nfs/dbraw/zinc/42/79/01/396427901.db2.gz BTYRSQPCMHHWRK-RRFJBIMHSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H](CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647174669 396429632 /nfs/dbraw/zinc/42/96/32/396429632.db2.gz INZZRHLFASCTHB-RDJZCZTQSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H](CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647174669 396429634 /nfs/dbraw/zinc/42/96/34/396429634.db2.gz INZZRHLFASCTHB-RDJZCZTQSA-N 2 1 288.435 2.402 20 0 CEADMP CC(C)COCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000300088438 400326128 /nfs/dbraw/zinc/32/61/28/400326128.db2.gz NIHHQLBIMBYRHK-LSDHHAIUSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2([C@H](O)C(C)C)CC2)[C@H](C)C1 ZINC000344309432 400367034 /nfs/dbraw/zinc/36/70/34/400367034.db2.gz ZIICJYSKAJVTLT-QLFBSQMISA-N 2 1 268.445 2.103 20 0 CEADMP CN(C[C@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388612700 400533098 /nfs/dbraw/zinc/53/30/98/400533098.db2.gz YGBHWVSDLFRLMQ-ROUUACIJSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000398085432 400560382 /nfs/dbraw/zinc/56/03/82/400560382.db2.gz HVCYIDHWKJUCQB-KBAYOESNSA-N 2 1 287.451 2.381 20 0 CEADMP CC[C@H](C)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707392 400998278 /nfs/dbraw/zinc/99/82/78/400998278.db2.gz FBNUWMXKMXROOE-XQLPTFJDSA-N 2 1 254.418 2.251 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccsc3)C2)C1 ZINC000650706194 400998776 /nfs/dbraw/zinc/99/87/76/400998776.db2.gz GHKOKYLSGVGSTH-RBSFLKMASA-N 2 1 280.437 2.466 20 0 CEADMP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000650709253 400999781 /nfs/dbraw/zinc/99/97/81/400999781.db2.gz MUGVPKNLKGQNHQ-BBRMVZONSA-N 2 1 275.396 2.041 20 0 CEADMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000650709253 400999785 /nfs/dbraw/zinc/99/97/85/400999785.db2.gz MUGVPKNLKGQNHQ-BBRMVZONSA-N 2 1 275.396 2.041 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]C(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC000650720022 401009410 /nfs/dbraw/zinc/00/94/10/401009410.db2.gz CEJXMXTZGOABFQ-QGZVFWFLSA-N 2 1 289.467 2.233 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH2+]C)[C@H](C)C1 ZINC000650720033 401009925 /nfs/dbraw/zinc/00/99/25/401009925.db2.gz CQAALWWCKOWFEO-RHSMWYFYSA-N 3 1 275.440 2.226 20 0 CEADMP CC[N@@H+]1CC[C@@H](NCc2ccccc2C[NH2+]C)[C@H](C)C1 ZINC000650720033 401009934 /nfs/dbraw/zinc/00/99/34/401009934.db2.gz CQAALWWCKOWFEO-RHSMWYFYSA-N 2 1 275.440 2.226 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2ccccc2C[NH2+]C)[C@H](C)C1 ZINC000650720033 401009942 /nfs/dbraw/zinc/00/99/42/401009942.db2.gz CQAALWWCKOWFEO-RHSMWYFYSA-N 2 1 275.440 2.226 20 0 CEADMP CCN1CC[C@@H]([NH2+]Cc2ccccc2C[NH2+]C)[C@H](C)C1 ZINC000650720033 401009951 /nfs/dbraw/zinc/00/99/51/401009951.db2.gz CQAALWWCKOWFEO-RHSMWYFYSA-N 2 1 275.440 2.226 20 0 CEADMP CCCC[C@H](COC)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359934454 155175009 /nfs/dbraw/zinc/17/50/09/155175009.db2.gz NBBYOBUTKSZTML-ILXRZTDVSA-N 2 1 254.418 2.408 20 0 CEADMP CCCC[C@H](COC)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000359934454 155175011 /nfs/dbraw/zinc/17/50/11/155175011.db2.gz NBBYOBUTKSZTML-ILXRZTDVSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1c[nH+]ccc1N ZINC000650747599 401024657 /nfs/dbraw/zinc/02/46/57/401024657.db2.gz DCXSSFHZBGTUNI-DGCLKSJQSA-N 2 1 268.364 2.182 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000650757115 401034113 /nfs/dbraw/zinc/03/41/13/401034113.db2.gz PGPHVQGIADSQRL-IAGOWNOFSA-N 3 1 273.424 2.122 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000650757115 401034122 /nfs/dbraw/zinc/03/41/22/401034122.db2.gz PGPHVQGIADSQRL-IAGOWNOFSA-N 2 1 273.424 2.122 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000650757115 401034130 /nfs/dbraw/zinc/03/41/30/401034130.db2.gz PGPHVQGIADSQRL-IAGOWNOFSA-N 2 1 273.424 2.122 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650759057 401036829 /nfs/dbraw/zinc/03/68/29/401036829.db2.gz CBSSXNWECSHKQV-UKPHBRMFSA-N 2 1 273.424 2.391 20 0 CEADMP C[C@@H](C1CC[NH+](C)CC1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000651466796 401344905 /nfs/dbraw/zinc/34/49/05/401344905.db2.gz RZZAWLSCTUTRMT-GOEBONIOSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000158156609 289229029 /nfs/dbraw/zinc/22/90/29/289229029.db2.gz LXXYQESBLNARBO-SMDDNHRTSA-N 2 1 262.401 2.086 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000158156609 289229032 /nfs/dbraw/zinc/22/90/32/289229032.db2.gz LXXYQESBLNARBO-SMDDNHRTSA-N 2 1 262.401 2.086 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3cnccc3o2)C1 ZINC000651639514 401365216 /nfs/dbraw/zinc/36/52/16/401365216.db2.gz DEHLONSWOIZTQB-LBPRGKRZSA-N 2 1 259.353 2.211 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3cnccc3o2)C1 ZINC000651639514 401365217 /nfs/dbraw/zinc/36/52/17/401365217.db2.gz DEHLONSWOIZTQB-LBPRGKRZSA-N 2 1 259.353 2.211 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](COC)CC(C)(C)C)CC1 ZINC000651691449 401372735 /nfs/dbraw/zinc/37/27/35/401372735.db2.gz RNQASMFTUIZHPJ-HNNXBMFYSA-N 2 1 286.460 2.138 20 0 CEADMP CC[N@H+]1CC[C@@H](NCCC[NH+](C)CC(C)C)[C@H](C)C1 ZINC000651866193 401406679 /nfs/dbraw/zinc/40/66/79/401406679.db2.gz YHVFBZHLBPYTNJ-HZPDHXFCSA-N 2 1 269.477 2.284 20 0 CEADMP CC[NH+]1CC[C@@H](NCCC[N@H+](C)CC(C)C)[C@H](C)C1 ZINC000651866193 401406681 /nfs/dbraw/zinc/40/66/81/401406681.db2.gz YHVFBZHLBPYTNJ-HZPDHXFCSA-N 2 1 269.477 2.284 20 0 CEADMP CC[NH+]1CC[C@@H](NCCC[N@@H+](C)CC(C)C)[C@H](C)C1 ZINC000651866193 401406683 /nfs/dbraw/zinc/40/66/83/401406683.db2.gz YHVFBZHLBPYTNJ-HZPDHXFCSA-N 2 1 269.477 2.284 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH+](C)CC(C)C)[C@H](C)C1 ZINC000651866193 401406685 /nfs/dbraw/zinc/40/66/85/401406685.db2.gz YHVFBZHLBPYTNJ-HZPDHXFCSA-N 3 1 269.477 2.284 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH+](C)CC(C)C)[C@H](C)C1 ZINC000651866193 401406688 /nfs/dbraw/zinc/40/66/88/401406688.db2.gz YHVFBZHLBPYTNJ-HZPDHXFCSA-N 3 1 269.477 2.284 20 0 CEADMP CC[NH+]1CC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)[C@H](C)C1 ZINC000651866193 401406690 /nfs/dbraw/zinc/40/66/90/401406690.db2.gz YHVFBZHLBPYTNJ-HZPDHXFCSA-N 3 1 269.477 2.284 20 0 CEADMP CC[NH+]1CC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)[C@H](C)C1 ZINC000651866193 401406692 /nfs/dbraw/zinc/40/66/92/401406692.db2.gz YHVFBZHLBPYTNJ-HZPDHXFCSA-N 3 1 269.477 2.284 20 0 CEADMP C[C@H](COCC1CC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000651983810 401428759 /nfs/dbraw/zinc/42/87/59/401428759.db2.gz KWFYLMQNDSHUDI-GFCCVEGCSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@H]1CCOC1 ZINC000652337084 401490017 /nfs/dbraw/zinc/49/00/17/401490017.db2.gz IMXDGRNXJVCFQL-OAHLLOKOSA-N 2 1 274.408 2.191 20 0 CEADMP c1cc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n[nH]1 ZINC000652337162 401490213 /nfs/dbraw/zinc/49/02/13/401490213.db2.gz ONDNDXNJEMCQSK-MRXNPFEDSA-N 2 1 296.418 2.435 20 0 CEADMP c1cc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)[nH]n1 ZINC000652337162 401490214 /nfs/dbraw/zinc/49/02/14/401490214.db2.gz ONDNDXNJEMCQSK-MRXNPFEDSA-N 2 1 296.418 2.435 20 0 CEADMP c1cc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)[nH]n1 ZINC000652337162 401490216 /nfs/dbraw/zinc/49/02/16/401490216.db2.gz ONDNDXNJEMCQSK-MRXNPFEDSA-N 2 1 296.418 2.435 20 0 CEADMP C[C@]1(c2cccc(F)c2)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000652350309 401491230 /nfs/dbraw/zinc/49/12/30/401491230.db2.gz RJZLNFIXSVIYCT-CJNGLKHVSA-N 2 1 262.372 2.399 20 0 CEADMP Nc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652363616 401494850 /nfs/dbraw/zinc/49/48/50/401494850.db2.gz JEJUVJRRURXNTR-ZACQAIPSSA-N 2 1 289.423 2.130 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC[C@H]2CCCCO2)C1 ZINC000652363564 401494939 /nfs/dbraw/zinc/49/49/39/401494939.db2.gz HZLFQSAETFHJDO-VQHPVUNQSA-N 2 1 296.455 2.306 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000652364484 401494947 /nfs/dbraw/zinc/49/49/47/401494947.db2.gz SZZNPHZVFCVAOF-DZGCQCFKSA-N 2 1 296.361 2.469 20 0 CEADMP CC(C)COCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363339 401495390 /nfs/dbraw/zinc/49/53/90/401495390.db2.gz BOZYJYYBNDIVIP-ARFHVFGLSA-N 2 1 284.444 2.020 20 0 CEADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000360149965 155228526 /nfs/dbraw/zinc/22/85/26/155228526.db2.gz PPAGVTLPPLCQSV-GDBMZVCRSA-N 2 1 290.455 2.358 20 0 CEADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000360149965 155228528 /nfs/dbraw/zinc/22/85/28/155228528.db2.gz PPAGVTLPPLCQSV-GDBMZVCRSA-N 2 1 290.455 2.358 20 0 CEADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000361220963 292215034 /nfs/dbraw/zinc/21/50/34/292215034.db2.gz PKZRXGNLNRGDQC-IXDOHACOSA-N 2 1 276.424 2.143 20 0 CEADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2C[NH2+]CCN2C)cc1 ZINC000414977239 292215401 /nfs/dbraw/zinc/21/54/01/292215401.db2.gz PRSVNFOTTCXJAU-FGTMMUONSA-N 2 1 287.451 2.124 20 0 CEADMP FC(F)COCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000189368639 153090707 /nfs/dbraw/zinc/09/07/07/153090707.db2.gz IHQWDBMAWFDAHC-CYBMUJFWSA-N 2 1 276.371 2.218 20 0 CEADMP FC(F)COCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000189368639 153090711 /nfs/dbraw/zinc/09/07/11/153090711.db2.gz IHQWDBMAWFDAHC-CYBMUJFWSA-N 2 1 276.371 2.218 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000191588690 153182324 /nfs/dbraw/zinc/18/23/24/153182324.db2.gz CBIVJUMGVOAYKJ-JKSUJKDBSA-N 2 1 278.444 2.498 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000191588690 153182326 /nfs/dbraw/zinc/18/23/26/153182326.db2.gz CBIVJUMGVOAYKJ-JKSUJKDBSA-N 3 1 278.444 2.498 20 0 CEADMP CC[NH+]1CCC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192903942 153222000 /nfs/dbraw/zinc/22/20/00/153222000.db2.gz WGQVOZPPWSGAII-ALOPSCKCSA-N 3 1 279.472 2.323 20 0 CEADMP CC[NH+]1CCC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000192903942 153222003 /nfs/dbraw/zinc/22/20/03/153222003.db2.gz WGQVOZPPWSGAII-ALOPSCKCSA-N 2 1 279.472 2.323 20 0 CEADMP COCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000192959066 153225753 /nfs/dbraw/zinc/22/57/53/153225753.db2.gz SSJJTJBVRIKMDW-GOOCMWNKSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000193045231 153228433 /nfs/dbraw/zinc/22/84/33/153228433.db2.gz PLNKNFYKSSCRRG-NPYXIHBLSA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193045231 153228437 /nfs/dbraw/zinc/22/84/37/153228437.db2.gz PLNKNFYKSSCRRG-NPYXIHBLSA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193045231 153228439 /nfs/dbraw/zinc/22/84/39/153228439.db2.gz PLNKNFYKSSCRRG-NPYXIHBLSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](CCSc3ccccc3)C[C@@H]2C1 ZINC000193645067 153237964 /nfs/dbraw/zinc/23/79/64/153237964.db2.gz GSUAJLZJOHDLAT-OKILXGFUSA-N 2 1 262.422 2.272 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CCSc3ccccc3)C[C@@H]2C1 ZINC000193645067 153237967 /nfs/dbraw/zinc/23/79/67/153237967.db2.gz GSUAJLZJOHDLAT-OKILXGFUSA-N 2 1 262.422 2.272 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCSc3ccccc3)C[C@@H]2C1 ZINC000193645067 153237974 /nfs/dbraw/zinc/23/79/74/153237974.db2.gz GSUAJLZJOHDLAT-OKILXGFUSA-N 2 1 262.422 2.272 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCSc3ccccc3)C[C@@H]2C1 ZINC000193645067 153237977 /nfs/dbraw/zinc/23/79/77/153237977.db2.gz GSUAJLZJOHDLAT-OKILXGFUSA-N 2 1 262.422 2.272 20 0 CEADMP CC[NH+](CC)C[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000223404277 153317636 /nfs/dbraw/zinc/31/76/36/153317636.db2.gz CIDHYRBOTYHGQD-BYNSBNAKSA-N 2 1 255.450 2.035 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@@H](COc3ccccc3)C2)CC[NH2+]C1 ZINC000261695135 153811585 /nfs/dbraw/zinc/81/15/85/153811585.db2.gz BRZSUBLZPWONPB-NVXWUHKLSA-N 2 1 274.408 2.387 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@@H+]2CCC[C@H]([NH3+])C2)cc1F ZINC000346080442 154285402 /nfs/dbraw/zinc/28/54/02/154285402.db2.gz CZODGJCMYQAHND-OCCSQVGLSA-N 2 1 280.387 2.436 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@H]([NH3+])C2)cc1F ZINC000346080442 154285406 /nfs/dbraw/zinc/28/54/06/154285406.db2.gz CZODGJCMYQAHND-OCCSQVGLSA-N 2 1 280.387 2.436 20 0 CEADMP C[N@@H+](Cc1cccc(-n2cccn2)c1)CC(C)(C)C[NH3+] ZINC000346694929 154291878 /nfs/dbraw/zinc/29/18/78/154291878.db2.gz XIKOIZWAJRWYRE-UHFFFAOYSA-N 2 1 272.396 2.289 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)CCO1 ZINC000346668550 154294360 /nfs/dbraw/zinc/29/43/60/154294360.db2.gz IVVPNZBQDXPURK-RRFJBIMHSA-N 2 1 256.434 2.497 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)C[C@H]21 ZINC000346816829 154302032 /nfs/dbraw/zinc/30/20/32/154302032.db2.gz BAAAYTGSQFNVHC-RBSFLKMASA-N 2 1 270.380 2.122 20 0 CEADMP C[C@H](CNCc1ncc(C[NH+](C)C)s1)C[NH+]1CCCC1 ZINC000352770522 154330733 /nfs/dbraw/zinc/33/07/33/154330733.db2.gz KQHOPKOWKWHVDU-CYBMUJFWSA-N 2 1 296.484 2.026 20 0 CEADMP Cc1cccn2c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cnc12 ZINC000363166994 156004878 /nfs/dbraw/zinc/00/48/78/156004878.db2.gz BMARGGMVLWCOLC-LSDHHAIUSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1cccn2c(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cnc12 ZINC000363166994 156004879 /nfs/dbraw/zinc/00/48/79/156004879.db2.gz BMARGGMVLWCOLC-LSDHHAIUSA-N 2 1 284.407 2.359 20 0 CEADMP CC(C)OCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363561153 156029905 /nfs/dbraw/zinc/02/99/05/156029905.db2.gz WBGGSLJUOANBMO-OAGGEKHMSA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)OCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363561153 156029909 /nfs/dbraw/zinc/02/99/09/156029909.db2.gz WBGGSLJUOANBMO-OAGGEKHMSA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)OCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363561153 156029915 /nfs/dbraw/zinc/02/99/15/156029915.db2.gz WBGGSLJUOANBMO-OAGGEKHMSA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)n1cc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000366798967 156084711 /nfs/dbraw/zinc/08/47/11/156084711.db2.gz SUHXRXAOTAYUSC-CYBMUJFWSA-N 2 1 273.384 2.013 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCCCF)C2)CC1 ZINC000366951441 156108022 /nfs/dbraw/zinc/10/80/22/156108022.db2.gz KYBUVYJUQFRJBX-INIZCTEOSA-N 2 1 285.451 2.227 20 0 CEADMP CC(C)n1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)nn1 ZINC000367357115 156169244 /nfs/dbraw/zinc/16/92/44/156169244.db2.gz UFDGLJONGUPGIH-UHFFFAOYSA-N 2 1 291.443 2.167 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)nn1 ZINC000367357115 156169247 /nfs/dbraw/zinc/16/92/47/156169247.db2.gz UFDGLJONGUPGIH-UHFFFAOYSA-N 2 1 291.443 2.167 20 0 CEADMP Cc1ncccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000367472574 156195983 /nfs/dbraw/zinc/19/59/83/156195983.db2.gz PEDXHSFXGPJKIY-IXDOHACOSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ncccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000367472574 156195987 /nfs/dbraw/zinc/19/59/87/156195987.db2.gz PEDXHSFXGPJKIY-IXDOHACOSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ncccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000367472574 156195990 /nfs/dbraw/zinc/19/59/90/156195990.db2.gz PEDXHSFXGPJKIY-IXDOHACOSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ncccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000367472574 156195993 /nfs/dbraw/zinc/19/59/93/156195993.db2.gz PEDXHSFXGPJKIY-IXDOHACOSA-N 2 1 271.408 2.306 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)[C@@H]2CCC[C@@H]21 ZINC000367579582 156208872 /nfs/dbraw/zinc/20/88/72/156208872.db2.gz HDTZVIUACFWVTO-QEOTZNIISA-N 2 1 280.456 2.248 20 0 CEADMP COCCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367604461 156214007 /nfs/dbraw/zinc/21/40/07/156214007.db2.gz UBDFYSBHHDTQPI-YIONKMFJSA-N 2 1 254.418 2.360 20 0 CEADMP COCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367604461 156214010 /nfs/dbraw/zinc/21/40/10/156214010.db2.gz UBDFYSBHHDTQPI-YIONKMFJSA-N 2 1 254.418 2.360 20 0 CEADMP COCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367604461 156214013 /nfs/dbraw/zinc/21/40/13/156214013.db2.gz UBDFYSBHHDTQPI-YIONKMFJSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOC(F)F)[C@H]2CCC[C@@H]21 ZINC000367620115 156216587 /nfs/dbraw/zinc/21/65/87/156216587.db2.gz XRCJBWIVTQFWER-WOPDTQHZSA-N 2 1 262.344 2.078 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2O)[C@H]2CCC[C@@H]21 ZINC000367625750 156218238 /nfs/dbraw/zinc/21/82/38/156218238.db2.gz YRCOYGUKCBGPLP-PMPSAXMXSA-N 2 1 274.408 2.397 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4COC4)[C@@H]3C2)cc1 ZINC000367685303 156226302 /nfs/dbraw/zinc/22/63/02/156226302.db2.gz KEFWCAXZMMNJIO-CGTJXYLNSA-N 2 1 286.419 2.276 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4COC4)[C@@H]3C2)cc1 ZINC000367685303 156226304 /nfs/dbraw/zinc/22/63/04/156226304.db2.gz KEFWCAXZMMNJIO-CGTJXYLNSA-N 2 1 286.419 2.276 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4COC4)[C@H]3C2)cc1 ZINC000367685308 156226327 /nfs/dbraw/zinc/22/63/27/156226327.db2.gz KEFWCAXZMMNJIO-SZMVWBNQSA-N 2 1 286.419 2.276 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4COC4)[C@H]3C2)cc1 ZINC000367685308 156226328 /nfs/dbraw/zinc/22/63/28/156226328.db2.gz KEFWCAXZMMNJIO-SZMVWBNQSA-N 2 1 286.419 2.276 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOC2CCCC2)[C@H]2CCC[C@H]21 ZINC000367742882 156231512 /nfs/dbraw/zinc/23/15/12/156231512.db2.gz WYFVIPPFBYHMMV-OWCLPIDISA-N 2 1 266.429 2.408 20 0 CEADMP CN(C)c1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367755175 156236424 /nfs/dbraw/zinc/23/64/24/156236424.db2.gz OACCZKDJNZMKIK-BZUAXINKSA-N 2 1 288.439 2.110 20 0 CEADMP C(CO[C@@H]1CCCCO1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000368109287 156288314 /nfs/dbraw/zinc/28/83/14/156288314.db2.gz XEPWNLWKZQHQNM-QGZVFWFLSA-N 2 1 296.455 2.480 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Cc2ccncc2)C1 ZINC000368487580 156353154 /nfs/dbraw/zinc/35/31/54/156353154.db2.gz USZDGRQMTVAOTC-SJORKVTESA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368487580 156353159 /nfs/dbraw/zinc/35/31/59/156353159.db2.gz USZDGRQMTVAOTC-SJORKVTESA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368487580 156353163 /nfs/dbraw/zinc/35/31/63/156353163.db2.gz USZDGRQMTVAOTC-SJORKVTESA-N 2 1 273.424 2.430 20 0 CEADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000345511289 300064852 /nfs/dbraw/zinc/06/48/52/300064852.db2.gz SMSUJNVRDBDGGU-FZKCQIBNSA-N 2 1 295.471 2.238 20 0 CEADMP CC[NH+]1CCC([N@H+](C[C@H](O)COC(C)(C)C)C2CC2)CC1 ZINC000374980044 157034052 /nfs/dbraw/zinc/03/40/52/157034052.db2.gz NHHBVCRSOMIUCV-INIZCTEOSA-N 2 1 298.471 2.111 20 0 CEADMP CC[NH+]1CCC([N@@H+](C[C@H](O)COC(C)(C)C)C2CC2)CC1 ZINC000374980044 157034054 /nfs/dbraw/zinc/03/40/54/157034054.db2.gz NHHBVCRSOMIUCV-INIZCTEOSA-N 2 1 298.471 2.111 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnc3n2CCCC3)[C@H](C)C1 ZINC000375272692 157069292 /nfs/dbraw/zinc/06/92/92/157069292.db2.gz RPMMVPHAMBLDEF-HIFRSBDPSA-N 2 1 276.428 2.039 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnc3n2CCCC3)[C@H](C)C1 ZINC000375272692 157069296 /nfs/dbraw/zinc/06/92/96/157069296.db2.gz RPMMVPHAMBLDEF-HIFRSBDPSA-N 2 1 276.428 2.039 20 0 CEADMP C[N@@H+](CCOCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375763605 157139266 /nfs/dbraw/zinc/13/92/66/157139266.db2.gz NQCGTAFFGVYXOQ-FOSCPWQOSA-N 2 1 280.334 2.122 20 0 CEADMP C[NH+](CCOCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375763605 157139269 /nfs/dbraw/zinc/13/92/69/157139269.db2.gz NQCGTAFFGVYXOQ-FOSCPWQOSA-N 2 1 280.334 2.122 20 0 CEADMP C[NH+](CCOCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375763605 157139271 /nfs/dbraw/zinc/13/92/71/157139271.db2.gz NQCGTAFFGVYXOQ-FOSCPWQOSA-N 2 1 280.334 2.122 20 0 CEADMP O[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000375770109 157140272 /nfs/dbraw/zinc/14/02/72/157140272.db2.gz SIWVSDNOGVYLQD-DLBZAZTESA-N 2 1 274.408 2.154 20 0 CEADMP Cc1ccnc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000375854199 157152686 /nfs/dbraw/zinc/15/26/86/157152686.db2.gz SHDRTHDRAUYQQQ-CHWSQXEVSA-N 2 1 256.353 2.252 20 0 CEADMP C[C@@H](CNC(=O)CCC1CC[NH2+]CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000155916356 162307083 /nfs/dbraw/zinc/30/70/83/162307083.db2.gz WXQDQCVLTHVGRY-CABCVRRESA-N 2 1 295.471 2.003 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000162316437 162332009 /nfs/dbraw/zinc/33/20/09/162332009.db2.gz AMDNQAIRENDIDO-CVEARBPZSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000162316437 162332013 /nfs/dbraw/zinc/33/20/13/162332013.db2.gz AMDNQAIRENDIDO-CVEARBPZSA-N 2 1 277.412 2.473 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2(CCO)CCCCC2)CC[N@H+]1C ZINC000165603948 162344810 /nfs/dbraw/zinc/34/48/10/162344810.db2.gz MJYXUMWSBAFDRA-HUUCEWRRSA-N 2 1 268.445 2.392 20 0 CEADMP CCN(C(=O)CC[NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000165947381 162346380 /nfs/dbraw/zinc/34/63/80/162346380.db2.gz NVWOCPMMKIMZDP-HOCLYGCPSA-N 2 1 289.423 2.019 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000168657200 162369153 /nfs/dbraw/zinc/36/91/53/162369153.db2.gz KQLNLSPBFICDSN-RYUDHWBXSA-N 2 1 295.814 2.338 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@]1(C)CCCO1 ZINC000340205218 287023010 /nfs/dbraw/zinc/02/30/10/287023010.db2.gz DHBMNSCJWWNRHY-TWMKSMIVSA-N 2 1 298.471 2.423 20 0 CEADMP CCCCCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173617598 165076381 /nfs/dbraw/zinc/07/63/81/165076381.db2.gz TYKSNAIOXMCGDF-CQSZACIVSA-N 2 1 283.460 2.144 20 0 CEADMP COC[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000173593842 165080193 /nfs/dbraw/zinc/08/01/93/165080193.db2.gz DXABLXKDXJEUMH-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000177060310 165184566 /nfs/dbraw/zinc/18/45/66/165184566.db2.gz UYFLBFKGNGICGX-QWHCGFSZSA-N 2 1 270.417 2.133 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000177060310 165184571 /nfs/dbraw/zinc/18/45/71/165184571.db2.gz UYFLBFKGNGICGX-QWHCGFSZSA-N 2 1 270.417 2.133 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)OC(C)(C)C)CC[NH+]1C ZINC000177060310 165184577 /nfs/dbraw/zinc/18/45/77/165184577.db2.gz UYFLBFKGNGICGX-QWHCGFSZSA-N 2 1 270.417 2.133 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)OC(C)(C)C)CC[NH+]1C ZINC000177060310 165184581 /nfs/dbraw/zinc/18/45/81/165184581.db2.gz UYFLBFKGNGICGX-QWHCGFSZSA-N 2 1 270.417 2.133 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178304457 165230269 /nfs/dbraw/zinc/23/02/69/165230269.db2.gz LVOKDJBJRBBILI-YUTCNCBUSA-N 2 1 264.417 2.252 20 0 CEADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000020523861 171236811 /nfs/dbraw/zinc/23/68/11/171236811.db2.gz BLLIJGNUJYONHT-GOOCMWNKSA-N 2 1 260.381 2.410 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H]1CCCOC1 ZINC000111317676 287268425 /nfs/dbraw/zinc/26/84/25/287268425.db2.gz VULLJBHXCVFERV-CABCVRRESA-N 2 1 254.418 2.267 20 0 CEADMP C[N@H+](C[C@@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285447800 196287089 /nfs/dbraw/zinc/28/70/89/196287089.db2.gz IWBIWHLYFZGVBL-FCLJQHQZSA-N 2 1 274.408 2.277 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285447800 196287091 /nfs/dbraw/zinc/28/70/91/196287091.db2.gz IWBIWHLYFZGVBL-FCLJQHQZSA-N 2 1 274.408 2.277 20 0 CEADMP C[NH+](C[C@@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285447800 196287092 /nfs/dbraw/zinc/28/70/92/196287092.db2.gz IWBIWHLYFZGVBL-FCLJQHQZSA-N 2 1 274.408 2.277 20 0 CEADMP C[NH+](C[C@@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285447800 196287094 /nfs/dbraw/zinc/28/70/94/196287094.db2.gz IWBIWHLYFZGVBL-FCLJQHQZSA-N 2 1 274.408 2.277 20 0 CEADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC[NH3+] ZINC000037712461 173632658 /nfs/dbraw/zinc/63/26/58/173632658.db2.gz MKYJIYSSYCMTBM-SNVBAGLBSA-N 2 1 258.312 2.157 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000401693628 414754245 /nfs/dbraw/zinc/75/42/45/414754245.db2.gz IPCDOMFHMCNRKT-NHYWBVRUSA-N 2 1 250.361 2.264 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000660290407 414757680 /nfs/dbraw/zinc/75/76/80/414757680.db2.gz NLXLFBMFHOEIRJ-AWEZNQCLSA-N 2 1 270.461 2.446 20 0 CEADMP C[C@H]1CCC[N@H+](CC(=O)N(C)C2CCCCC2)[C@H]1CC[NH3+] ZINC000404350220 414781722 /nfs/dbraw/zinc/78/17/22/414781722.db2.gz IULIPMKEEMKRLE-HOCLYGCPSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@H]1CCC[N@@H+](CC(=O)N(C)C2CCCCC2)[C@H]1CC[NH3+] ZINC000404350220 414781729 /nfs/dbraw/zinc/78/17/29/414781729.db2.gz IULIPMKEEMKRLE-HOCLYGCPSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCOCC(F)(F)F)[C@H]1CC[NH3+] ZINC000404385468 414782735 /nfs/dbraw/zinc/78/27/35/414782735.db2.gz WAICBRYPSKFGNK-NEPJUHHUSA-N 2 1 282.350 2.405 20 0 CEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650725105 414747841 /nfs/dbraw/zinc/74/78/41/414747841.db2.gz TUHFKNNUXJIMPB-RYPNDVFKSA-N 2 1 252.402 2.003 20 0 CEADMP Clc1ccc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000051889905 414748031 /nfs/dbraw/zinc/74/80/31/414748031.db2.gz BYSXIOGZFGTQDU-CYBMUJFWSA-N 2 1 279.815 2.072 20 0 CEADMP CCO[C@@H]1C[N@@H+]([C@H](C)c2cccc(F)c2)C[C@H]1C[NH3+] ZINC000405549021 414796960 /nfs/dbraw/zinc/79/69/60/414796960.db2.gz YEICPXPXSJRJFR-UXIGCNINSA-N 2 1 266.360 2.182 20 0 CEADMP CCO[C@@H]1C[N@H+]([C@H](C)c2cccc(F)c2)C[C@H]1C[NH3+] ZINC000405549021 414796965 /nfs/dbraw/zinc/79/69/65/414796965.db2.gz YEICPXPXSJRJFR-UXIGCNINSA-N 2 1 266.360 2.182 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657215569 414805636 /nfs/dbraw/zinc/80/56/36/414805636.db2.gz UCIKZLCPJMJCFB-PBHICJAKSA-N 2 1 298.390 2.187 20 0 CEADMP C[C@@H]1CC[C@H](C[NH+]2CCC([NH2+]CC3CC3)CC2)O1 ZINC000129403692 414810590 /nfs/dbraw/zinc/81/05/90/414810590.db2.gz PRLMCICDVCAULA-IUODEOHRSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H](CC(F)F)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000660419970 414811029 /nfs/dbraw/zinc/81/10/29/414811029.db2.gz MMQIIHOLIWXOIO-LLVKDONJSA-N 2 1 272.343 2.213 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657294296 414840658 /nfs/dbraw/zinc/84/06/58/414840658.db2.gz MALQYIAQTHRIRA-QGZVFWFLSA-N 2 1 290.407 2.038 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnc2n1CCC2)C[NH+]1CCCCC1 ZINC000657317548 414855871 /nfs/dbraw/zinc/85/58/71/414855871.db2.gz YZNWCDYCUZBLMA-AWEZNQCLSA-N 2 1 276.428 2.041 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CC1CCCCC1 ZINC000311158279 414857800 /nfs/dbraw/zinc/85/78/00/414857800.db2.gz OWSNWSQRKITCGF-OAHLLOKOSA-N 2 1 256.434 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CC1CCCCC1 ZINC000311158279 414857804 /nfs/dbraw/zinc/85/78/04/414857804.db2.gz OWSNWSQRKITCGF-OAHLLOKOSA-N 2 1 256.434 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CC1CCCCC1 ZINC000311158279 414857810 /nfs/dbraw/zinc/85/78/10/414857810.db2.gz OWSNWSQRKITCGF-OAHLLOKOSA-N 2 1 256.434 2.200 20 0 CEADMP Cc1c[nH]c(CN[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000657327374 414862284 /nfs/dbraw/zinc/86/22/84/414862284.db2.gz KUOPQWWNMXNSDX-MBNYWOFBSA-N 2 1 264.417 2.174 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC[C@@H]1CCCCO1)C2 ZINC000660663155 414923954 /nfs/dbraw/zinc/92/39/54/414923954.db2.gz NOIMYFSWMYKUNL-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOCC1CCC1)C2 ZINC000660661576 414925114 /nfs/dbraw/zinc/92/51/14/414925114.db2.gz DHFNTTXEMXVDPM-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOCC1CCC1)C2 ZINC000660661576 414925121 /nfs/dbraw/zinc/92/51/21/414925121.db2.gz DHFNTTXEMXVDPM-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOCC1CCC1)C2 ZINC000660661576 414925126 /nfs/dbraw/zinc/92/51/26/414925126.db2.gz DHFNTTXEMXVDPM-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOCC1CCC1)C2 ZINC000660661576 414925131 /nfs/dbraw/zinc/92/51/31/414925131.db2.gz DHFNTTXEMXVDPM-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC000660662721 414925490 /nfs/dbraw/zinc/92/54/90/414925490.db2.gz LVEJDKCKFSCRKB-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCc1ccncc1)C2 ZINC000660664650 414926219 /nfs/dbraw/zinc/92/62/19/414926219.db2.gz RHZFMNLSAMYMSV-QGZVFWFLSA-N 2 1 273.424 2.432 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665117 414928892 /nfs/dbraw/zinc/92/88/92/414928892.db2.gz UGWYSPQFCXIYHG-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC1CCOCC1)C2 ZINC000660665050 414928922 /nfs/dbraw/zinc/92/89/22/414928922.db2.gz SZTRFIUGOMSYNV-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660676805 414929734 /nfs/dbraw/zinc/92/97/34/414929734.db2.gz BRGLXVVZRGTGCN-GOSISDBHSA-N 2 1 287.451 2.335 20 0 CEADMP C[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000663368297 414931438 /nfs/dbraw/zinc/93/14/38/414931438.db2.gz CWQWXVFGPRKTGY-WBVHZDCISA-N 2 1 288.435 2.259 20 0 CEADMP Cn1nccc1CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660677793 414932388 /nfs/dbraw/zinc/93/23/88/414932388.db2.gz PAZBNSRRFHSEIR-UHFFFAOYSA-N 2 1 298.434 2.217 20 0 CEADMP CC(C)[NH2+]C1(CO)CC[NH+](CCCC2CCC2)CC1 ZINC000660678359 414932480 /nfs/dbraw/zinc/93/24/80/414932480.db2.gz ZLDSBONZFJYHID-UHFFFAOYSA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657348489 414876419 /nfs/dbraw/zinc/87/64/19/414876419.db2.gz XTCLYGKKEUPDRO-CQSZACIVSA-N 2 1 276.428 2.039 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657348489 414876426 /nfs/dbraw/zinc/87/64/26/414876426.db2.gz XTCLYGKKEUPDRO-CQSZACIVSA-N 2 1 276.428 2.039 20 0 CEADMP CN(CC[NH+]1CCCCC1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000653042071 414879960 /nfs/dbraw/zinc/87/99/60/414879960.db2.gz BWMGGCNYHGKRNH-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP Cc1cc(CO)cc(NC[C@H](C)C[NH+]2CCCC2)[nH+]1 ZINC000663399029 414942013 /nfs/dbraw/zinc/94/20/13/414942013.db2.gz BSRVZGAEMAQXRH-LBPRGKRZSA-N 2 1 263.385 2.026 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2C)CO1 ZINC000657374817 414893448 /nfs/dbraw/zinc/89/34/48/414893448.db2.gz QYGKQBPOIRPWAM-KGLIPLIRSA-N 2 1 251.374 2.129 20 0 CEADMP Clc1ccc2c(c1)C[C@H]([NH2+]CC13CC(C1)C[NH2+]3)C2 ZINC000663498554 414971528 /nfs/dbraw/zinc/97/15/28/414971528.db2.gz PYEITVPEILNJHO-CIQACWJJSA-N 2 1 262.784 2.149 20 0 CEADMP CC[N@@H+](CCCNC(=O)C(C)(C)C[NH3+])C1CCCCC1 ZINC000653201010 414944327 /nfs/dbraw/zinc/94/43/27/414944327.db2.gz WXMMOWACKJLMMS-UHFFFAOYSA-N 2 1 283.460 2.132 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000653200727 414945933 /nfs/dbraw/zinc/94/59/33/414945933.db2.gz NRXXKFGUOHMHLM-QGZVFWFLSA-N 2 1 295.471 2.147 20 0 CEADMP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463603 414960936 /nfs/dbraw/zinc/96/09/36/414960936.db2.gz AJRAILCLZVVQGN-GJZGRUSLSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(O)CCC(C)CC2)[C@@H](C)C1 ZINC000663464456 414963037 /nfs/dbraw/zinc/96/30/37/414963037.db2.gz LWAPQQWJAORACI-PYBGIAKNSA-N 2 1 268.445 2.248 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C)CC2)[C@@H](C)C1 ZINC000663464453 414963189 /nfs/dbraw/zinc/96/31/89/414963189.db2.gz LWAPQQWJAORACI-PWUWZPNHSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnccn1 ZINC000663469828 414965490 /nfs/dbraw/zinc/96/54/90/414965490.db2.gz RAAZQFWEWSDMJM-UKRRQHHQSA-N 2 1 274.412 2.249 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CCCc1c[nH+]cn1C ZINC000653618229 415056038 /nfs/dbraw/zinc/05/60/38/415056038.db2.gz WRFUQPYDHYCWLG-RHSMWYFYSA-N 2 1 287.407 2.107 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN1Cc2sccc2CC1(C)C ZINC000653756634 415093633 /nfs/dbraw/zinc/09/36/33/415093633.db2.gz RHLCYWAOGHVXJU-ZDUSSCGKSA-N 2 1 282.453 2.197 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+]1Cc2sccc2CC1(C)C ZINC000653756634 415093636 /nfs/dbraw/zinc/09/36/36/415093636.db2.gz RHLCYWAOGHVXJU-ZDUSSCGKSA-N 2 1 282.453 2.197 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+]1Cc2sccc2CC1(C)C ZINC000653756634 415093639 /nfs/dbraw/zinc/09/36/39/415093639.db2.gz RHLCYWAOGHVXJU-ZDUSSCGKSA-N 2 1 282.453 2.197 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000657823133 415095023 /nfs/dbraw/zinc/09/50/23/415095023.db2.gz AADIUHPTTXYZPH-OAHLLOKOSA-N 2 1 276.428 2.430 20 0 CEADMP CC(C)(C)OCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657638371 415033154 /nfs/dbraw/zinc/03/31/54/415033154.db2.gz NVOIKWDRFGCZQH-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1(C)C ZINC000658004281 415152830 /nfs/dbraw/zinc/15/28/30/415152830.db2.gz XKDHPALVVSRAMD-OWCLPIDISA-N 2 1 293.499 2.427 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657833331 415098538 /nfs/dbraw/zinc/09/85/38/415098538.db2.gz JIPUPVRHKOIUDM-NSHDSACASA-N 2 1 266.376 2.224 20 0 CEADMP Cc1ccnc(N2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000664011581 415122858 /nfs/dbraw/zinc/12/28/58/415122858.db2.gz PGMUWWNWBLEDLT-UHFFFAOYSA-N 2 1 275.396 2.081 20 0 CEADMP Cc1cc[nH+]c(N2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000664011581 415122870 /nfs/dbraw/zinc/12/28/70/415122870.db2.gz PGMUWWNWBLEDLT-UHFFFAOYSA-N 2 1 275.396 2.081 20 0 CEADMP FC(F)(F)[C@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000043326933 175008984 /nfs/dbraw/zinc/00/89/84/175008984.db2.gz FGQXDNCMOPSETP-GARJFASQSA-N 2 1 250.308 2.449 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000658042954 415172551 /nfs/dbraw/zinc/17/25/51/415172551.db2.gz KKFZKWDDFIKTLA-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP COC1CC(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000658060395 415182083 /nfs/dbraw/zinc/18/20/83/415182083.db2.gz NJKOHOVEMNSHDL-ARWYELJZSA-N 2 1 296.455 2.035 20 0 CEADMP CC(C)CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000045093793 175307111 /nfs/dbraw/zinc/30/71/11/175307111.db2.gz IBVRVOPCXXAOCN-GOOCMWNKSA-N 2 1 254.418 2.264 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000658233005 415268895 /nfs/dbraw/zinc/26/88/95/415268895.db2.gz FYBJRYCRIFLIKZ-RDJZCZTQSA-N 2 1 290.455 2.205 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C/C=C/CO)cc1 ZINC000658136805 415228538 /nfs/dbraw/zinc/22/85/38/415228538.db2.gz YEQAPPWHFXFHTP-OOPCZODUSA-N 2 1 271.364 2.380 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)[C@H](C)C1 ZINC000658323358 415318929 /nfs/dbraw/zinc/31/89/29/415318929.db2.gz PRESFVCUVOGKHW-OLZOCXBDSA-N 2 1 290.398 2.247 20 0 CEADMP COCCCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655703895 415398014 /nfs/dbraw/zinc/39/80/14/415398014.db2.gz MWAWXMGGEOLATN-INIZCTEOSA-N 2 1 284.444 2.036 20 0 CEADMP CC(C)(C)C[C@@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655728487 415415836 /nfs/dbraw/zinc/41/58/36/415415836.db2.gz VLTMVGXVMGQDMP-CVEARBPZSA-N 2 1 298.471 2.017 20 0 CEADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1(C2CC2)CC1 ZINC000655736322 415421817 /nfs/dbraw/zinc/42/18/17/415421817.db2.gz DDYWCZYEAPMQEF-OAHLLOKOSA-N 2 1 264.413 2.020 20 0 CEADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1(C2CC2)CCC1 ZINC000655737378 415422638 /nfs/dbraw/zinc/42/26/38/415422638.db2.gz MUJFKEXBDUUIPS-MRXNPFEDSA-N 2 1 278.440 2.410 20 0 CEADMP FC1(F)CC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655745602 415428152 /nfs/dbraw/zinc/42/81/52/415428152.db2.gz ABSWEKRJBJROTJ-ZIAGYGMSSA-N 2 1 288.382 2.407 20 0 CEADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+]C2(C3CC3)CC2)CC1 ZINC000655743911 415428691 /nfs/dbraw/zinc/42/86/91/415428691.db2.gz MAEMXNXJPBBQJW-OAHLLOKOSA-N 2 1 264.413 2.162 20 0 CEADMP CC(C)OCCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655750496 415434777 /nfs/dbraw/zinc/43/47/77/415434777.db2.gz BLPPEGRKPHEYAV-MRXNPFEDSA-N 2 1 284.444 2.035 20 0 CEADMP CC1([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000655753161 415434867 /nfs/dbraw/zinc/43/48/67/415434867.db2.gz WYGWWYHUGLADAY-AWEZNQCLSA-N 2 1 252.402 2.162 20 0 CEADMP CCOC(C)(C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655757564 415435914 /nfs/dbraw/zinc/43/59/14/415435914.db2.gz IXLBDSBEZDLGBY-HNNXBMFYSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@@H]1CC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655764567 415443971 /nfs/dbraw/zinc/44/39/71/415443971.db2.gz KWPGZXPEABAXRD-YCPHGPKFSA-N 2 1 266.429 2.266 20 0 CEADMP CC1(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655764580 415445475 /nfs/dbraw/zinc/44/54/75/415445475.db2.gz LDOTYNTYNSCNJP-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)OC ZINC000655773277 415452799 /nfs/dbraw/zinc/45/27/99/415452799.db2.gz UHXNLFSGMVAOAG-USXIJHARSA-N 2 1 298.471 2.281 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@H]1CCCCO1 ZINC000655848932 415516261 /nfs/dbraw/zinc/51/62/61/415516261.db2.gz LQCFTEMMDWJPMM-LSDHHAIUSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H](N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cnn(C)c1 ZINC000655848611 415518052 /nfs/dbraw/zinc/51/80/52/415518052.db2.gz IVUMCCMTCYTXJG-AEGPPILISA-N 2 1 262.401 2.088 20 0 CEADMP C[C@H](N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cnn(C)c1 ZINC000655848611 415518056 /nfs/dbraw/zinc/51/80/56/415518056.db2.gz IVUMCCMTCYTXJG-AEGPPILISA-N 2 1 262.401 2.088 20 0 CEADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352510445 287309124 /nfs/dbraw/zinc/30/91/24/287309124.db2.gz NDKVXSOCFKBOKW-OWCLPIDISA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352510445 287309126 /nfs/dbraw/zinc/30/91/26/287309126.db2.gz NDKVXSOCFKBOKW-OWCLPIDISA-N 2 1 295.471 2.227 20 0 CEADMP Fc1cc2c(cc1F)C[NH+](CC1CC[NH2+]CC1)C2 ZINC000655931704 415553281 /nfs/dbraw/zinc/55/32/81/415553281.db2.gz NXGFDSZHFIWORA-UHFFFAOYSA-N 2 1 252.308 2.280 20 0 CEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000655949521 415562731 /nfs/dbraw/zinc/56/27/31/415562731.db2.gz WTCUVUMTUPGATG-NSHDSACASA-N 2 1 298.333 2.440 20 0 CEADMP COc1ccc2c(c1)C[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)C2 ZINC000656193592 415626558 /nfs/dbraw/zinc/62/65/58/415626558.db2.gz NZBKLAPHAVPZID-OLZOCXBDSA-N 2 1 260.381 2.399 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CCOc2ccc(O)cc2C1 ZINC000662103817 415628639 /nfs/dbraw/zinc/62/86/39/415628639.db2.gz PWYOZDNPNQSIST-HNNXBMFYSA-N 2 1 290.407 2.461 20 0 CEADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H](N)c3ccccc32)C1 ZINC000656200843 415636806 /nfs/dbraw/zinc/63/68/06/415636806.db2.gz RQRFRHMTRFQXAP-SHUKQUCYSA-N 2 1 259.397 2.061 20 0 CEADMP Cc1ccncc1CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000665239079 415641565 /nfs/dbraw/zinc/64/15/65/415641565.db2.gz LSUHMFVXFXIUQU-GFCCVEGCSA-N 2 1 256.353 2.091 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000665248702 415648271 /nfs/dbraw/zinc/64/82/71/415648271.db2.gz AMMFFBSMNNEFFC-GFCCVEGCSA-N 2 1 287.407 2.493 20 0 CEADMP O[C@H]1CC[N@H+](C2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC000662159301 415660263 /nfs/dbraw/zinc/66/02/63/415660263.db2.gz XDNGZMQIVNVLHF-KRWDZBQOSA-N 2 1 280.456 2.488 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1c[nH+]ccc1N ZINC000665274383 415665015 /nfs/dbraw/zinc/66/50/15/415665015.db2.gz PAXBPQYKXTWXIU-GZMMTYOYSA-N 2 1 255.312 2.436 20 0 CEADMP CO[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283967 415673171 /nfs/dbraw/zinc/67/31/71/415673171.db2.gz XWUIIZQGUYXFKQ-SNPRPXQTSA-N 2 1 254.418 2.312 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000665297471 415684637 /nfs/dbraw/zinc/68/46/37/415684637.db2.gz GJJMGVKFKLOGCI-HOCLYGCPSA-N 2 1 264.413 2.425 20 0 CEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000665297891 415685183 /nfs/dbraw/zinc/68/51/83/415685183.db2.gz NTTXLIQUXHVZAS-GHMZBOCLSA-N 2 1 256.340 2.483 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299977 415689041 /nfs/dbraw/zinc/68/90/41/415689041.db2.gz VWIDKRLKAAUVHF-ZBFHGGJFSA-N 3 1 267.461 2.216 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299369 415689209 /nfs/dbraw/zinc/68/92/09/415689209.db2.gz LQMGSYSQMMZGFN-ULQDDVLXSA-N 3 1 279.472 2.216 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299369 415689214 /nfs/dbraw/zinc/68/92/14/415689214.db2.gz LQMGSYSQMMZGFN-ULQDDVLXSA-N 2 1 279.472 2.216 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299369 415689220 /nfs/dbraw/zinc/68/92/20/415689220.db2.gz LQMGSYSQMMZGFN-ULQDDVLXSA-N 2 1 279.472 2.216 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000071147757 176044239 /nfs/dbraw/zinc/04/42/39/176044239.db2.gz HILOUKBSCIXBNP-ZDUSSCGKSA-N 2 1 250.411 2.320 20 0 CEADMP Fc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662250879 415716821 /nfs/dbraw/zinc/71/68/21/415716821.db2.gz QTISBYPQIARFQF-HOTGVXAUSA-N 2 1 290.382 2.484 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254377 415719997 /nfs/dbraw/zinc/71/99/97/415719997.db2.gz HRGDZEZKLSTFRM-OIISXLGYSA-N 2 1 286.419 2.385 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1)c1ccccc1 ZINC000662258473 415725194 /nfs/dbraw/zinc/72/51/94/415725194.db2.gz VBAGLGDBTRUHKB-GDBMZVCRSA-N 2 1 274.408 2.243 20 0 CEADMP C[N@H+](CCC[NH+]1CCCCC1)CC1=CCSC1 ZINC000662262736 415727668 /nfs/dbraw/zinc/72/76/68/415727668.db2.gz CVSBAGRYIHIYGU-UHFFFAOYSA-N 2 1 254.443 2.467 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)CC1=CCSC1 ZINC000662262736 415727679 /nfs/dbraw/zinc/72/76/79/415727679.db2.gz CVSBAGRYIHIYGU-UHFFFAOYSA-N 2 1 254.443 2.467 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CCN1C ZINC000662261855 415728752 /nfs/dbraw/zinc/72/87/52/415728752.db2.gz BKXKXKTYZOWMRV-YOEHRIQHSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@@H](N(C)Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1C ZINC000662261855 415728756 /nfs/dbraw/zinc/72/87/56/415728756.db2.gz BKXKXKTYZOWMRV-YOEHRIQHSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@@H](N(C)Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1C ZINC000662261855 415728762 /nfs/dbraw/zinc/72/87/62/415728762.db2.gz BKXKXKTYZOWMRV-YOEHRIQHSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1C ZINC000662261855 415728768 /nfs/dbraw/zinc/72/87/68/415728768.db2.gz BKXKXKTYZOWMRV-YOEHRIQHSA-N 3 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1C ZINC000662261855 415728773 /nfs/dbraw/zinc/72/87/73/415728773.db2.gz BKXKXKTYZOWMRV-YOEHRIQHSA-N 3 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CC[NH+]1C ZINC000662261855 415728780 /nfs/dbraw/zinc/72/87/80/415728780.db2.gz BKXKXKTYZOWMRV-YOEHRIQHSA-N 3 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CC[NH+]1C ZINC000662261855 415728783 /nfs/dbraw/zinc/72/87/83/415728783.db2.gz BKXKXKTYZOWMRV-YOEHRIQHSA-N 3 1 287.451 2.247 20 0 CEADMP CCC[N@@H+](C[C@H](OC)C1CCC1)C1CC[NH2+]CC1 ZINC000662263006 415729428 /nfs/dbraw/zinc/72/94/28/415729428.db2.gz JZYRGUWQIUOCID-HNNXBMFYSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](CCc2nsc3ccccc32)C1 ZINC000662247217 415707847 /nfs/dbraw/zinc/70/78/47/415707847.db2.gz VTRDBDBFXPAXKH-GFCCVEGCSA-N 2 1 275.421 2.380 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000662247217 415707852 /nfs/dbraw/zinc/70/78/52/415707852.db2.gz VTRDBDBFXPAXKH-GFCCVEGCSA-N 2 1 275.421 2.380 20 0 CEADMP CO[C@@H](C[N@@H+](C)CC(C)(C)C[NH3+])C1CCCCC1 ZINC000662247953 415712433 /nfs/dbraw/zinc/71/24/33/415712433.db2.gz PNDTYNOJGOSTLS-AWEZNQCLSA-N 2 1 256.434 2.498 20 0 CEADMP CC[C@@H]([NH3+])c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455346 415715373 /nfs/dbraw/zinc/71/53/73/415715373.db2.gz DLOHFCSNNXHMPN-HUUCEWRRSA-N 2 1 285.395 2.135 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000662278198 415744971 /nfs/dbraw/zinc/74/49/71/415744971.db2.gz XNHCDYNCFGBSKI-SJORKVTESA-N 2 1 274.408 2.450 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)CCCO1 ZINC000662280302 415745394 /nfs/dbraw/zinc/74/53/94/415745394.db2.gz CFTLNDJPCHMKDO-JKSUJKDBSA-N 2 1 274.408 2.156 20 0 CEADMP Cc1cc(C)c2c(c1)C[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662281980 415747925 /nfs/dbraw/zinc/74/79/25/415747925.db2.gz NCKXTNOZPDYTLV-MRXNPFEDSA-N 2 1 286.419 2.183 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H]1CCO ZINC000662303552 415765574 /nfs/dbraw/zinc/76/55/74/415765574.db2.gz WWVWQUROXFKXNK-KDOFPFPSSA-N 2 1 288.435 2.315 20 0 CEADMP C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000662302417 415766362 /nfs/dbraw/zinc/76/63/62/415766362.db2.gz XQGSFYGPNQZJHI-KSSFIOAISA-N 2 1 288.435 2.315 20 0 CEADMP Cc1[nH+]ccn1CCCN1c2ccccc2CC[C@H]1C[NH3+] ZINC000662305132 415767395 /nfs/dbraw/zinc/76/73/95/415767395.db2.gz ONHHCOYNEQFTIG-INIZCTEOSA-N 2 1 284.407 2.362 20 0 CEADMP Fc1cccc([C@H]2COCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000662309727 415770828 /nfs/dbraw/zinc/77/08/28/415770828.db2.gz CUWSCWLUMRMHIB-XJKSGUPXSA-N 2 1 278.371 2.199 20 0 CEADMP Fc1cccc([C@H]2COCC[N@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000662309727 415770834 /nfs/dbraw/zinc/77/08/34/415770834.db2.gz CUWSCWLUMRMHIB-XJKSGUPXSA-N 2 1 278.371 2.199 20 0 CEADMP C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])C1 ZINC000662314477 415773596 /nfs/dbraw/zinc/77/35/96/415773596.db2.gz DPLYNECOMJNRBT-BZUAXINKSA-N 2 1 295.471 2.084 20 0 CEADMP Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662316849 415775384 /nfs/dbraw/zinc/77/53/84/415775384.db2.gz XPRGQVILIFJXOV-TZMCWYRMSA-N 2 1 297.468 2.058 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1 ZINC000662317628 415776646 /nfs/dbraw/zinc/77/66/46/415776646.db2.gz YEZCNYBQVYWBFQ-IJEWVQPXSA-N 2 1 292.423 2.237 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322585 415776882 /nfs/dbraw/zinc/77/68/82/415776882.db2.gz VWLDDIVYRGEZLJ-AWEZNQCLSA-N 2 1 297.468 2.037 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322585 415776883 /nfs/dbraw/zinc/77/68/83/415776883.db2.gz VWLDDIVYRGEZLJ-AWEZNQCLSA-N 2 1 297.468 2.037 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662285757 415753288 /nfs/dbraw/zinc/75/32/88/415753288.db2.gz MYHYLRFHUQQSRX-SOUVJXGZSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H](c1cnccn1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292199 415754805 /nfs/dbraw/zinc/75/48/05/415754805.db2.gz CCQRCIRLNSOMQE-DZGCQCFKSA-N 2 1 274.412 2.249 20 0 CEADMP Cc1noc(CCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662293439 415756508 /nfs/dbraw/zinc/75/65/08/415756508.db2.gz LDFRMTGDLHQFBB-HNNXBMFYSA-N 2 1 292.427 2.022 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OC ZINC000659880052 415757340 /nfs/dbraw/zinc/75/73/40/415757340.db2.gz ZYEVHQJMQCOGAD-IRXDYDNUSA-N 2 1 298.471 2.236 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294563 415758346 /nfs/dbraw/zinc/75/83/46/415758346.db2.gz QVLIHORKSHXOAN-KRWDZBQOSA-N 2 1 290.455 2.293 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294563 415758351 /nfs/dbraw/zinc/75/83/51/415758351.db2.gz QVLIHORKSHXOAN-KRWDZBQOSA-N 3 1 290.455 2.293 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294563 415758354 /nfs/dbraw/zinc/75/83/54/415758354.db2.gz QVLIHORKSHXOAN-KRWDZBQOSA-N 3 1 290.455 2.293 20 0 CEADMP Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nc(C)n1 ZINC000659999848 415841071 /nfs/dbraw/zinc/84/10/71/415841071.db2.gz WRGATMOXNFPSMX-UHFFFAOYSA-N 2 1 271.368 2.196 20 0 CEADMP FC(F)(F)C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000662326572 415785333 /nfs/dbraw/zinc/78/53/33/415785333.db2.gz WDYVQKGFKQUFGU-LBPRGKRZSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000662326572 415785337 /nfs/dbraw/zinc/78/53/37/415785337.db2.gz WDYVQKGFKQUFGU-LBPRGKRZSA-N 2 1 280.334 2.029 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@](C)(C(F)F)O1 ZINC000662335682 415786976 /nfs/dbraw/zinc/78/69/76/415786976.db2.gz OYBKIRQNJACVCP-BZPMIXESSA-N 2 1 276.371 2.121 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000656693822 415814362 /nfs/dbraw/zinc/81/43/62/415814362.db2.gz ITJPDVCJGNEDIE-ZFWWWQNUSA-N 2 1 282.453 2.490 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000656693822 415814369 /nfs/dbraw/zinc/81/43/69/415814369.db2.gz ITJPDVCJGNEDIE-ZFWWWQNUSA-N 2 1 282.453 2.490 20 0 CEADMP CCc1ccc(CN(C)C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000656692379 415814985 /nfs/dbraw/zinc/81/49/85/415814985.db2.gz VLJANDHMNLHSJP-KRWDZBQOSA-N 2 1 278.440 2.382 20 0 CEADMP CO[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C1CCC1 ZINC000659983008 415825569 /nfs/dbraw/zinc/82/55/69/415825569.db2.gz BJGQTSGJKAMKDD-NWANDNLSSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C1CCC1 ZINC000659983008 415825576 /nfs/dbraw/zinc/82/55/76/415825576.db2.gz BJGQTSGJKAMKDD-NWANDNLSSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCC1 ZINC000659983008 415825578 /nfs/dbraw/zinc/82/55/78/415825578.db2.gz BJGQTSGJKAMKDD-NWANDNLSSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCC1 ZINC000659983008 415825585 /nfs/dbraw/zinc/82/55/85/415825585.db2.gz BJGQTSGJKAMKDD-NWANDNLSSA-N 2 1 254.418 2.216 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000656708138 415827673 /nfs/dbraw/zinc/82/76/73/415827673.db2.gz NYQWVQNNXXAUJS-OAHLLOKOSA-N 2 1 277.412 2.351 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000656708138 415827676 /nfs/dbraw/zinc/82/76/76/415827676.db2.gz NYQWVQNNXXAUJS-OAHLLOKOSA-N 2 1 277.412 2.351 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)sn1 ZINC000660113105 415883572 /nfs/dbraw/zinc/88/35/72/415883572.db2.gz MMFQEODVDMDDCE-AAEUAGOBSA-N 2 1 292.408 2.431 20 0 CEADMP COc1cc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)sn1 ZINC000660113105 415883576 /nfs/dbraw/zinc/88/35/76/415883576.db2.gz MMFQEODVDMDDCE-AAEUAGOBSA-N 2 1 292.408 2.431 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662681708 415929360 /nfs/dbraw/zinc/92/93/60/415929360.db2.gz BXVAOGNOFFYPPW-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)=CCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000660156898 415907703 /nfs/dbraw/zinc/90/77/03/415907703.db2.gz SGUXRXOGXOKXDV-IAGOWNOFSA-N 2 1 279.472 2.301 20 0 CEADMP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000662623023 415908834 /nfs/dbraw/zinc/90/88/34/415908834.db2.gz WLZZFABGOAMKDO-QLFBSQMISA-N 2 1 295.471 2.001 20 0 CEADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786477 415862608 /nfs/dbraw/zinc/86/26/08/415862608.db2.gz SXCOLWGNKXQVPV-HNNXBMFYSA-N 2 1 276.428 2.238 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CC2([NH3+])CCCC2)o1 ZINC000656788814 415864953 /nfs/dbraw/zinc/86/49/53/415864953.db2.gz CSEVOSBFNMMDAD-UHFFFAOYSA-N 2 1 288.395 2.350 20 0 CEADMP C[C@H](CN1CCC([N@@H+]2CCOC[C@@H]2C)CC1)C(F)(F)F ZINC000567403145 299061433 /nfs/dbraw/zinc/06/14/33/299061433.db2.gz IKJXHHYPNVUICL-NEPJUHHUSA-N 2 1 294.361 2.370 20 0 CEADMP C[C@H](CN1CCC([N@H+]2CCOC[C@@H]2C)CC1)C(F)(F)F ZINC000567403145 299061434 /nfs/dbraw/zinc/06/14/34/299061434.db2.gz IKJXHHYPNVUICL-NEPJUHHUSA-N 2 1 294.361 2.370 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cnn(CC(F)(F)F)c2)C1 ZINC000442922360 227216224 /nfs/dbraw/zinc/21/62/24/227216224.db2.gz KRAUBYUHEYAWMR-NSHDSACASA-N 2 1 290.333 2.006 20 0 CEADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)C2 ZINC000666770710 419423916 /nfs/dbraw/zinc/42/39/16/419423916.db2.gz SONAXSANDWSCJR-HUUCEWRRSA-N 2 1 274.408 2.284 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858003 419449674 /nfs/dbraw/zinc/44/96/74/419449674.db2.gz SPOCYCSGENPJGO-OAHLLOKOSA-N 2 1 284.407 2.412 20 0 CEADMP Fc1ccc(-n2nccc2C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000666858134 419450553 /nfs/dbraw/zinc/45/05/53/419450553.db2.gz ZDXQYWWTTBVVMJ-CQSZACIVSA-N 2 1 288.370 2.243 20 0 CEADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC34CC[NH2+]CC4)CC[NH2+]2)cc1 ZINC000666955367 419493492 /nfs/dbraw/zinc/49/34/92/419493492.db2.gz BVNQGIRUPVJSDR-ULQDDVLXSA-N 3 1 285.435 2.211 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000666172079 419563645 /nfs/dbraw/zinc/56/36/45/419563645.db2.gz AAZNHNOAVUORGF-DGCLKSJQSA-N 2 1 250.390 2.101 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)n2c1 ZINC000666996853 419506162 /nfs/dbraw/zinc/50/61/62/419506162.db2.gz IMVKVHNNIUSKCJ-AWEZNQCLSA-N 2 1 284.407 2.407 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667734431 419786761 /nfs/dbraw/zinc/78/67/61/419786761.db2.gz YBXQMKDCSFRFLE-HNNXBMFYSA-N 2 1 290.411 2.141 20 0 CEADMP Cc1[nH+]cc(CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1C ZINC000667672105 419769076 /nfs/dbraw/zinc/76/90/76/419769076.db2.gz KVLDFVZQFHJFDP-QGZVFWFLSA-N 2 1 298.434 2.435 20 0 CEADMP Cc1[nH+]cc(CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1C ZINC000667672105 419769083 /nfs/dbraw/zinc/76/90/83/419769083.db2.gz KVLDFVZQFHJFDP-QGZVFWFLSA-N 2 1 298.434 2.435 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449083919 260207734 /nfs/dbraw/zinc/20/77/34/260207734.db2.gz DPHUEJGVBAEMSW-OWCLPIDISA-N 2 1 297.487 2.249 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CO1 ZINC000402233092 260264398 /nfs/dbraw/zinc/26/43/98/260264398.db2.gz VNBJZYLXPXOFPZ-YJBOKZPZSA-N 2 1 288.435 2.461 20 0 CEADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000521065144 260346478 /nfs/dbraw/zinc/34/64/78/260346478.db2.gz MEJSXWBAVQNYDG-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426936107 260545568 /nfs/dbraw/zinc/54/55/68/260545568.db2.gz XWJJWLHBYUDDEX-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000395061250 270344892 /nfs/dbraw/zinc/34/48/92/270344892.db2.gz JDHNJWXQQIAIRV-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP C[N@H+](CCOCC(F)F)CC[C@@H]1CCCC[NH+]1C ZINC000189433436 262171138 /nfs/dbraw/zinc/17/11/38/262171138.db2.gz HUTSYZCEYQBUBS-LBPRGKRZSA-N 2 1 264.360 2.074 20 0 CEADMP C[N@@H+](CCOCC(F)F)CC[C@@H]1CCCC[NH+]1C ZINC000189433436 262171139 /nfs/dbraw/zinc/17/11/39/262171139.db2.gz HUTSYZCEYQBUBS-LBPRGKRZSA-N 2 1 264.360 2.074 20 0 CEADMP C[NH+](CCOCC(F)F)CC[C@@H]1CCCC[N@@H+]1C ZINC000189433436 262171140 /nfs/dbraw/zinc/17/11/40/262171140.db2.gz HUTSYZCEYQBUBS-LBPRGKRZSA-N 2 1 264.360 2.074 20 0 CEADMP C[NH+](CCOCC(F)F)CC[C@@H]1CCCC[N@H+]1C ZINC000189433436 262171141 /nfs/dbraw/zinc/17/11/41/262171141.db2.gz HUTSYZCEYQBUBS-LBPRGKRZSA-N 2 1 264.360 2.074 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@](C)(O)C2CCCCC2)CC1 ZINC000188660566 262335784 /nfs/dbraw/zinc/33/57/84/262335784.db2.gz OGERRIHASOVTNQ-OAHLLOKOSA-N 2 1 254.418 2.002 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000414775750 263044484 /nfs/dbraw/zinc/04/44/84/263044484.db2.gz GQOAAZSQHRFJAG-JKSUJKDBSA-N 2 1 290.455 2.341 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000425414398 264292048 /nfs/dbraw/zinc/29/20/48/264292048.db2.gz FWWNSLGCFJCUGV-GOEBONIOSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1c([C@@H](C)[NH2+]CCC[NH+](C)C)cnn1C(C)C ZINC000191107942 270272417 /nfs/dbraw/zinc/27/24/17/270272417.db2.gz YRXQNKJYFBGSEJ-GFCCVEGCSA-N 2 1 252.406 2.375 20 0 CEADMP CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227405567 270310771 /nfs/dbraw/zinc/31/07/71/270310771.db2.gz STBHNSUAAJYUID-KBPBESRZSA-N 2 1 297.443 2.118 20 0 CEADMP C[NH+]1CCC([NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000230406271 270313948 /nfs/dbraw/zinc/31/39/48/270313948.db2.gz UZCCNEYEGGOOLZ-UHFFFAOYSA-N 2 1 297.443 2.118 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000392294820 270340100 /nfs/dbraw/zinc/34/01/00/270340100.db2.gz QCOKXKLNRQYERL-YESZJQIVSA-N 3 1 277.456 2.149 20 0 CEADMP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000395137064 270345165 /nfs/dbraw/zinc/34/51/65/270345165.db2.gz FOWHSMCFCLUYKJ-XJKSGUPXSA-N 2 1 262.397 2.358 20 0 CEADMP C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)OCC1CCC1 ZINC000419205188 270424266 /nfs/dbraw/zinc/42/42/66/270424266.db2.gz KQGTUNKREYROAN-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)OCC1CCC1 ZINC000419205188 270424268 /nfs/dbraw/zinc/42/42/68/270424268.db2.gz KQGTUNKREYROAN-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000420307309 270510989 /nfs/dbraw/zinc/51/09/89/270510989.db2.gz LULITIKSQDQUIW-UHFFFAOYSA-N 2 1 299.422 2.089 20 0 CEADMP COC(=O)c1ccc(F)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000420305624 270511558 /nfs/dbraw/zinc/51/15/58/270511558.db2.gz GTIURVPZNWOPQE-LBPRGKRZSA-N 2 1 294.370 2.173 20 0 CEADMP CCc1noc([C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420334870 270520952 /nfs/dbraw/zinc/52/09/52/270520952.db2.gz UMNDYABDZAGCQU-YNEHKIRRSA-N 2 1 278.400 2.015 20 0 CEADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422744628 270750841 /nfs/dbraw/zinc/75/08/41/270750841.db2.gz KKFGIJAHJBBVAD-ZOBUZTSGSA-N 2 1 273.424 2.386 20 0 CEADMP C[C@H](NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000422800716 270773894 /nfs/dbraw/zinc/77/38/94/270773894.db2.gz CREHYVRIEKNHON-YUTCNCBUSA-N 2 1 267.442 2.081 20 0 CEADMP CC(C)CN1CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000422822135 270784318 /nfs/dbraw/zinc/78/43/18/270784318.db2.gz ZYTKOWNNPNMYQL-CQSZACIVSA-N 2 1 255.450 2.214 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422855073 270792402 /nfs/dbraw/zinc/79/24/02/270792402.db2.gz DHOCQDDHVRJNFE-KFWWJZLASA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCCN1CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422855073 270792404 /nfs/dbraw/zinc/79/24/04/270792404.db2.gz DHOCQDDHVRJNFE-KFWWJZLASA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CSc2ccccc21 ZINC000423144931 270849724 /nfs/dbraw/zinc/84/97/24/270849724.db2.gz IJMBVGRIRHOOCE-DYEKYZERSA-N 2 1 262.422 2.464 20 0 CEADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC[NH3+])CC1 ZINC000423196775 270867594 /nfs/dbraw/zinc/86/75/94/270867594.db2.gz WFTSJVSONWDTQJ-UHFFFAOYSA-N 3 1 275.440 2.368 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000423270302 270885596 /nfs/dbraw/zinc/88/55/96/270885596.db2.gz HQZBYZXAKMKXMK-UONOGXRCSA-N 2 1 272.396 2.378 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])c(C)c1OC ZINC000423281381 270887985 /nfs/dbraw/zinc/88/79/85/270887985.db2.gz BEQGYGCKQNRUAH-NSHDSACASA-N 2 1 266.385 2.400 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)ccc1F ZINC000423284445 270888957 /nfs/dbraw/zinc/88/89/57/270888957.db2.gz XYSXYDKUUTWWBF-MFKMUULPSA-N 2 1 254.349 2.468 20 0 CEADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)c1 ZINC000423315112 270894713 /nfs/dbraw/zinc/89/47/13/270894713.db2.gz AKJJEHFCUHJPNM-LLVKDONJSA-N 2 1 261.369 2.177 20 0 CEADMP CC(C)[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000423374922 270906993 /nfs/dbraw/zinc/90/69/93/270906993.db2.gz UCIKLHAJYNCTCN-TVQRCGJNSA-N 2 1 263.341 2.167 20 0 CEADMP C[N@H+]1CC[C@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424130246 271020521 /nfs/dbraw/zinc/02/05/21/271020521.db2.gz HGEZKYIBNKOMOL-HZPDHXFCSA-N 2 1 295.471 2.132 20 0 CEADMP Cc1nccn1CCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424298108 271041396 /nfs/dbraw/zinc/04/13/96/271041396.db2.gz TXMCMKQRTIDMFU-AWEZNQCLSA-N 2 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424298108 271041399 /nfs/dbraw/zinc/04/13/99/271041399.db2.gz TXMCMKQRTIDMFU-AWEZNQCLSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424298108 271041401 /nfs/dbraw/zinc/04/14/01/271041401.db2.gz TXMCMKQRTIDMFU-AWEZNQCLSA-N 3 1 276.428 2.046 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CCCOCC(F)(F)F)CC[NH2+]CC2 ZINC000424293636 271041576 /nfs/dbraw/zinc/04/15/76/271041576.db2.gz PIIOHFVIWTZTDH-LBPRGKRZSA-N 2 1 294.361 2.419 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@]1(C)CCCO1 ZINC000428215344 271247437 /nfs/dbraw/zinc/24/74/37/271247437.db2.gz AXYRLKKUVKNCAM-KCQAQPDRSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000428557438 271278782 /nfs/dbraw/zinc/27/87/82/271278782.db2.gz JHGUGQOASWUPPX-BETUJISGSA-N 2 1 275.396 2.217 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CC23CCCC3)CC1 ZINC000429443478 271332062 /nfs/dbraw/zinc/33/20/62/271332062.db2.gz DFCZOOSVYXLOGV-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP CCCCC[N@@H+](CCC(=O)N1CCN(C)CC1)C(C)C ZINC000429670380 271339832 /nfs/dbraw/zinc/33/98/32/271339832.db2.gz KGLDXHCYAQKQHQ-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000429670380 271339833 /nfs/dbraw/zinc/33/98/33/271339833.db2.gz KGLDXHCYAQKQHQ-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000429670380 271339834 /nfs/dbraw/zinc/33/98/34/271339834.db2.gz KGLDXHCYAQKQHQ-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)NCC1CCCCC1 ZINC000430546302 271388484 /nfs/dbraw/zinc/38/84/84/271388484.db2.gz JPKDBVBFVYJFNZ-MRXNPFEDSA-N 2 1 283.460 2.036 20 0 CEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000430551494 271389061 /nfs/dbraw/zinc/38/90/61/271389061.db2.gz IIEYXHYONNWBGL-OAHLLOKOSA-N 2 1 281.375 2.117 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000430598128 271397798 /nfs/dbraw/zinc/39/77/98/271397798.db2.gz NVNXCNYTMZVXND-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000431555274 271449114 /nfs/dbraw/zinc/44/91/14/271449114.db2.gz FBWMCDWBQLQERH-HZPDHXFCSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H]1CCC[N@@H+]1C1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000361255488 274292627 /nfs/dbraw/zinc/29/26/27/274292627.db2.gz QCSWKAXRKPUMCO-GFCCVEGCSA-N 2 1 285.395 2.411 20 0 CEADMP C[C@@H]1CCC[N@H+]1C1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000361255488 274292632 /nfs/dbraw/zinc/29/26/32/274292632.db2.gz QCSWKAXRKPUMCO-GFCCVEGCSA-N 2 1 285.395 2.411 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335038776 274335837 /nfs/dbraw/zinc/33/58/37/274335837.db2.gz OWBZBCGVOHVBCW-CZUORRHYSA-N 2 1 273.424 2.475 20 0 CEADMP c1[nH]nc2c1cccc2C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335631317 275062991 /nfs/dbraw/zinc/06/29/91/275062991.db2.gz AHOTUZIOBZGNSZ-DZGCQCFKSA-N 2 1 284.407 2.384 20 0 CEADMP C([NH2+][C@H]1CCCC12CCOCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000312412964 275395781 /nfs/dbraw/zinc/39/57/81/275395781.db2.gz NWTWXJNRMMTHES-HOCLYGCPSA-N 2 1 278.440 2.410 20 0 CEADMP C([NH2+][C@H]1CCC12CCOCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000377121764 275395796 /nfs/dbraw/zinc/39/57/96/275395796.db2.gz YDGQYTRVRPZFGX-HIFRSBDPSA-N 2 1 264.413 2.020 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H]2CCCc3nn(C)cc32)CC1 ZINC000338008917 276004824 /nfs/dbraw/zinc/00/48/24/276004824.db2.gz CIZOXVWRTBTNPM-HNNXBMFYSA-N 2 1 276.428 2.262 20 0 CEADMP CC(C)[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000124497426 276012753 /nfs/dbraw/zinc/01/27/53/276012753.db2.gz BABQXIAFPGESPU-OWCLPIDISA-N 2 1 297.487 2.057 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)CCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000178978754 276224660 /nfs/dbraw/zinc/22/46/60/276224660.db2.gz WXKNLLLXWGBCRO-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000178978754 276224664 /nfs/dbraw/zinc/22/46/64/276224664.db2.gz WXKNLLLXWGBCRO-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000178978754 276224666 /nfs/dbraw/zinc/22/46/66/276224666.db2.gz WXKNLLLXWGBCRO-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000178978754 276224669 /nfs/dbraw/zinc/22/46/69/276224669.db2.gz WXKNLLLXWGBCRO-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(O)CCCCCC2)[C@H](C)C1 ZINC000305168983 276228425 /nfs/dbraw/zinc/22/84/25/276228425.db2.gz ZFFYRTOJORARMH-CABCVRRESA-N 2 1 268.445 2.392 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000250398557 276360355 /nfs/dbraw/zinc/36/03/55/276360355.db2.gz YWSASQBWGXZFNO-RRFJBIMHSA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000311508063 276397716 /nfs/dbraw/zinc/39/77/16/276397716.db2.gz QWZXTJYVZRCTAM-IJLUTSLNSA-N 2 1 280.334 2.028 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)C12CCC2 ZINC000087710464 276490198 /nfs/dbraw/zinc/49/01/98/276490198.db2.gz ZITICZDGAPBRBE-GJZGRUSLSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCc2cc[nH]c(=O)c2C1 ZINC000276968981 277044825 /nfs/dbraw/zinc/04/48/25/277044825.db2.gz QZIOXWFNQIIEBG-CQSZACIVSA-N 2 1 275.396 2.020 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCc2cc[nH]c(=O)c2C1 ZINC000276968981 277044826 /nfs/dbraw/zinc/04/48/26/277044826.db2.gz QZIOXWFNQIIEBG-CQSZACIVSA-N 2 1 275.396 2.020 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276968981 277044827 /nfs/dbraw/zinc/04/48/27/277044827.db2.gz QZIOXWFNQIIEBG-CQSZACIVSA-N 2 1 275.396 2.020 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276968981 277044828 /nfs/dbraw/zinc/04/48/28/277044828.db2.gz QZIOXWFNQIIEBG-CQSZACIVSA-N 2 1 275.396 2.020 20 0 CEADMP COC(=O)[C@@]12CCC[C@H]1C[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000118976930 277114974 /nfs/dbraw/zinc/11/49/74/277114974.db2.gz ZDSNERWPTIVUHO-DOTOQJQBSA-N 2 1 294.439 2.138 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000335453434 277169878 /nfs/dbraw/zinc/16/98/78/277169878.db2.gz UQDNFWSYJXGUDY-IRXDYDNUSA-N 2 1 273.424 2.164 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000353531888 277170446 /nfs/dbraw/zinc/17/04/46/277170446.db2.gz PWSGQLKOCQHREN-PMPSAXMXSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)C2)C1 ZINC000366547665 277185580 /nfs/dbraw/zinc/18/55/80/277185580.db2.gz AIPQOEREBPVUNE-CVEARBPZSA-N 2 1 294.826 2.401 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)C2)C1 ZINC000366547665 277185581 /nfs/dbraw/zinc/18/55/81/277185581.db2.gz AIPQOEREBPVUNE-CVEARBPZSA-N 2 1 294.826 2.401 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)c3ccc(Cl)cc3)C2)C1 ZINC000366547665 277185582 /nfs/dbraw/zinc/18/55/82/277185582.db2.gz AIPQOEREBPVUNE-CVEARBPZSA-N 2 1 294.826 2.401 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)C2)C1 ZINC000366547665 277185583 /nfs/dbraw/zinc/18/55/83/277185583.db2.gz AIPQOEREBPVUNE-CVEARBPZSA-N 2 1 294.826 2.401 20 0 CEADMP COCCSCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000373233869 277234503 /nfs/dbraw/zinc/23/45/03/277234503.db2.gz WSEMALYKWZTUIC-GJZGRUSLSA-N 2 1 286.485 2.172 20 0 CEADMP COCCSCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000373233869 277234504 /nfs/dbraw/zinc/23/45/04/277234504.db2.gz WSEMALYKWZTUIC-GJZGRUSLSA-N 2 1 286.485 2.172 20 0 CEADMP COCCSCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000373233869 277234506 /nfs/dbraw/zinc/23/45/06/277234506.db2.gz WSEMALYKWZTUIC-GJZGRUSLSA-N 2 1 286.485 2.172 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCO1 ZINC000353395480 278013328 /nfs/dbraw/zinc/01/33/28/278013328.db2.gz PTLQJWXXFKDFKC-OXGONZEZSA-N 2 1 266.429 2.264 20 0 CEADMP COc1cccc2c1CC[N@H+](C[C@H]([NH3+])CC(C)C)CC2 ZINC000414739176 278028675 /nfs/dbraw/zinc/02/86/75/278028675.db2.gz KAGWFNGILOTSHC-OAHLLOKOSA-N 2 1 276.424 2.469 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@H]([NH3+])CC(C)C)CC2 ZINC000414739176 278028676 /nfs/dbraw/zinc/02/86/76/278028676.db2.gz KAGWFNGILOTSHC-OAHLLOKOSA-N 2 1 276.424 2.469 20 0 CEADMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000369053214 278082104 /nfs/dbraw/zinc/08/21/04/278082104.db2.gz CEZZEEMAHWUQDV-UONOGXRCSA-N 2 1 292.427 2.120 20 0 CEADMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000369053214 278082107 /nfs/dbraw/zinc/08/21/07/278082107.db2.gz CEZZEEMAHWUQDV-UONOGXRCSA-N 2 1 292.427 2.120 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000358090976 278164187 /nfs/dbraw/zinc/16/41/87/278164187.db2.gz WXWSHNUGLUQUDC-UPJWGTAASA-N 2 1 270.417 2.037 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000358090976 278164188 /nfs/dbraw/zinc/16/41/88/278164188.db2.gz WXWSHNUGLUQUDC-UPJWGTAASA-N 2 1 270.417 2.037 20 0 CEADMP C[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@H](C)[NH3+] ZINC000192100292 278190141 /nfs/dbraw/zinc/19/01/41/278190141.db2.gz OPTXGMZJDFKDHP-CABCVRRESA-N 2 1 295.471 2.084 20 0 CEADMP CC1(C)CCC[C@]1(O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000354151531 278249404 /nfs/dbraw/zinc/24/94/04/278249404.db2.gz XRSAZTOIPMKGRH-YCPHGPKFSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C[C@H]1C[NH3+] ZINC000415134315 278368058 /nfs/dbraw/zinc/36/80/58/278368058.db2.gz VYHKQCPUEGHNBZ-NWDGAFQWSA-N 2 1 264.417 2.124 20 0 CEADMP CC(C)(C)OC(=O)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000365552969 278373951 /nfs/dbraw/zinc/37/39/51/278373951.db2.gz PRIZIIYDNGPRGH-QLFBSQMISA-N 2 1 294.439 2.134 20 0 CEADMP CC(C)(C)OC(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000365552969 278373953 /nfs/dbraw/zinc/37/39/53/278373953.db2.gz PRIZIIYDNGPRGH-QLFBSQMISA-N 2 1 294.439 2.134 20 0 CEADMP CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365552969 278373954 /nfs/dbraw/zinc/37/39/54/278373954.db2.gz PRIZIIYDNGPRGH-QLFBSQMISA-N 2 1 294.439 2.134 20 0 CEADMP CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365552969 278373957 /nfs/dbraw/zinc/37/39/57/278373957.db2.gz PRIZIIYDNGPRGH-QLFBSQMISA-N 2 1 294.439 2.134 20 0 CEADMP CC(C)C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000251467014 279164739 /nfs/dbraw/zinc/16/47/39/279164739.db2.gz ZXJYIZLUOHQPHN-OWCLPIDISA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000414699725 279179467 /nfs/dbraw/zinc/17/94/67/279179467.db2.gz SAUJFLQPYHNPNO-CABCVRRESA-N 2 1 297.487 2.234 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000414699725 279179469 /nfs/dbraw/zinc/17/94/69/279179469.db2.gz SAUJFLQPYHNPNO-CABCVRRESA-N 2 1 297.487 2.234 20 0 CEADMP C[C@H](CC[NH3+])[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC000414891638 279262504 /nfs/dbraw/zinc/26/25/04/279262504.db2.gz VWFNVALVGVWPCL-NXEZZACHSA-N 2 1 253.415 2.095 20 0 CEADMP C[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)[N@@H+](C)C1CC1 ZINC000261567677 279351410 /nfs/dbraw/zinc/35/14/10/279351410.db2.gz IICSBQWUUZQNMU-XFBWCDHKSA-N 2 1 259.397 2.204 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186476767 279352869 /nfs/dbraw/zinc/35/28/69/279352869.db2.gz RCHKYJVZLGNJIZ-YOEHRIQHSA-N 2 1 291.439 2.134 20 0 CEADMP CCN(CC(=O)Nc1ccc(-n2ccnc2)cc1)C1CC1 ZINC000135943443 280056920 /nfs/dbraw/zinc/05/69/20/280056920.db2.gz KZXDVVKYHPMTQH-UHFFFAOYSA-N 2 1 284.363 2.295 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000151113640 280088967 /nfs/dbraw/zinc/08/89/67/280088967.db2.gz NFBGVWBILGMEQR-CAOSSQGBSA-N 2 1 267.461 2.037 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000151113640 280088969 /nfs/dbraw/zinc/08/89/69/280088969.db2.gz NFBGVWBILGMEQR-CAOSSQGBSA-N 3 1 267.461 2.037 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000151113640 280088971 /nfs/dbraw/zinc/08/89/71/280088971.db2.gz NFBGVWBILGMEQR-CAOSSQGBSA-N 3 1 267.461 2.037 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000151113640 280088974 /nfs/dbraw/zinc/08/89/74/280088974.db2.gz NFBGVWBILGMEQR-CAOSSQGBSA-N 3 1 267.461 2.037 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000151113640 280088977 /nfs/dbraw/zinc/08/89/77/280088977.db2.gz NFBGVWBILGMEQR-CAOSSQGBSA-N 3 1 267.461 2.037 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000151113640 280088979 /nfs/dbraw/zinc/08/89/79/280088979.db2.gz NFBGVWBILGMEQR-CAOSSQGBSA-N 3 1 267.461 2.037 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000151113640 280088980 /nfs/dbraw/zinc/08/89/80/280088980.db2.gz NFBGVWBILGMEQR-CAOSSQGBSA-N 3 1 267.461 2.037 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000189476349 280150494 /nfs/dbraw/zinc/15/04/94/280150494.db2.gz XGKBBJLTCYVIEY-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCO[C@@H]1C1CC1 ZINC000344093754 280158719 /nfs/dbraw/zinc/15/87/19/280158719.db2.gz CQOOAENPXSPAGA-YYIAUSFCSA-N 2 1 278.440 2.408 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000191771413 280174728 /nfs/dbraw/zinc/17/47/28/280174728.db2.gz QUYSARTYXPTPLE-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000245581168 280251639 /nfs/dbraw/zinc/25/16/39/280251639.db2.gz IWHKFKAWWIIMFK-ZIAGYGMSSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000245581168 280251641 /nfs/dbraw/zinc/25/16/41/280251641.db2.gz IWHKFKAWWIIMFK-ZIAGYGMSSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000245581168 280251644 /nfs/dbraw/zinc/25/16/44/280251644.db2.gz IWHKFKAWWIIMFK-ZIAGYGMSSA-N 2 1 282.428 2.134 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCCO2)[C@H](C)C1 ZINC000246465459 280295571 /nfs/dbraw/zinc/29/55/71/280295571.db2.gz GLBLNWGZPKWMCL-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCCO2)[C@H](C)C1 ZINC000246465459 280295574 /nfs/dbraw/zinc/29/55/74/280295574.db2.gz GLBLNWGZPKWMCL-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCCO2)[C@H](C)C1 ZINC000246465459 280295576 /nfs/dbraw/zinc/29/55/76/280295576.db2.gz GLBLNWGZPKWMCL-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000246976373 280316441 /nfs/dbraw/zinc/31/64/41/280316441.db2.gz JVNQUKGSECCJOZ-CBBWQLFWSA-N 2 1 255.450 2.035 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000246976373 280316442 /nfs/dbraw/zinc/31/64/42/280316442.db2.gz JVNQUKGSECCJOZ-CBBWQLFWSA-N 2 1 255.450 2.035 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000246976373 280316443 /nfs/dbraw/zinc/31/64/43/280316443.db2.gz JVNQUKGSECCJOZ-CBBWQLFWSA-N 2 1 255.450 2.035 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCn2nc(C)cc2C)[C@@H](C)C1 ZINC000247890676 280340976 /nfs/dbraw/zinc/34/09/76/280340976.db2.gz FIMRFRBEYJGPFY-BBRMVZONSA-N 2 1 278.444 2.210 20 0 CEADMP C[N@H+](CCO[C@H]1CCCCO1)CC[C@H]1CCCC[NH+]1C ZINC000248571787 280353482 /nfs/dbraw/zinc/35/34/82/280353482.db2.gz MHTRXLZDJGQBSM-CVEARBPZSA-N 2 1 284.444 2.336 20 0 CEADMP C[N@@H+](CCO[C@H]1CCCCO1)CC[C@H]1CCCC[NH+]1C ZINC000248571787 280353483 /nfs/dbraw/zinc/35/34/83/280353483.db2.gz MHTRXLZDJGQBSM-CVEARBPZSA-N 2 1 284.444 2.336 20 0 CEADMP C[NH+](CCO[C@H]1CCCCO1)CC[C@H]1CCCC[N@@H+]1C ZINC000248571787 280353484 /nfs/dbraw/zinc/35/34/84/280353484.db2.gz MHTRXLZDJGQBSM-CVEARBPZSA-N 2 1 284.444 2.336 20 0 CEADMP C[NH+](CCO[C@H]1CCCCO1)CC[C@H]1CCCC[N@H+]1C ZINC000248571787 280353485 /nfs/dbraw/zinc/35/34/85/280353485.db2.gz MHTRXLZDJGQBSM-CVEARBPZSA-N 2 1 284.444 2.336 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CCCO2)[C@H](C)C1 ZINC000249262066 280389868 /nfs/dbraw/zinc/38/98/68/280389868.db2.gz ICQIRLQIYZYZIU-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2CCCO2)[C@H](C)C1 ZINC000249262066 280389870 /nfs/dbraw/zinc/38/98/70/280389870.db2.gz ICQIRLQIYZYZIU-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422832354 280930989 /nfs/dbraw/zinc/93/09/89/280930989.db2.gz FVPAOZGIQHBBRM-JZAWBGDQSA-N 2 1 279.472 2.370 20 0 CEADMP CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1nnc2n1CCCCC2 ZINC000422907468 280958141 /nfs/dbraw/zinc/95/81/41/280958141.db2.gz LHOGOIIIEWGVSS-AGIUHOORSA-N 2 1 279.432 2.171 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000422913714 280962031 /nfs/dbraw/zinc/96/20/31/280962031.db2.gz QOJBAWFUFSUQMS-BXUZGUMPSA-N 2 1 295.814 2.256 20 0 CEADMP CC(C)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423061067 281015600 /nfs/dbraw/zinc/01/56/00/281015600.db2.gz PYBMSKUEEQRUCY-KFWWJZLASA-N 2 1 268.445 2.415 20 0 CEADMP COCC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCCCC1 ZINC000423133855 281017883 /nfs/dbraw/zinc/01/78/83/281017883.db2.gz DIAQFLPVZXYHJZ-KBPBESRZSA-N 2 1 254.418 2.171 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(OC)c(OC)c1 ZINC000423330089 281023062 /nfs/dbraw/zinc/02/30/62/281023062.db2.gz TWQLDFRWZGTHNI-ZIAGYGMSSA-N 2 1 278.396 2.482 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1O ZINC000423378893 281024852 /nfs/dbraw/zinc/02/48/52/281024852.db2.gz LGIAKDZLHHLKCR-GMXVVIOVSA-N 2 1 264.369 2.192 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1O ZINC000423378897 281024934 /nfs/dbraw/zinc/02/49/34/281024934.db2.gz LGIAKDZLHHLKCR-MDZLAQPJSA-N 2 1 264.369 2.192 20 0 CEADMP COc1cc(F)c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000423403336 281029358 /nfs/dbraw/zinc/02/93/58/281029358.db2.gz SAYOUBGRRJDHRO-MJVIPROJSA-N 2 1 296.386 2.492 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2ccc3c(c2)C[NH2+]C3)[C@@H](C)C1 ZINC000423406183 281031309 /nfs/dbraw/zinc/03/13/09/281031309.db2.gz YRJHTBSUBHZTIP-GUYCJALGSA-N 2 1 273.424 2.110 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@@H](C)C1 ZINC000423406183 281031310 /nfs/dbraw/zinc/03/13/10/281031310.db2.gz YRJHTBSUBHZTIP-GUYCJALGSA-N 3 1 273.424 2.110 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@@H](C)C1 ZINC000423406183 281031313 /nfs/dbraw/zinc/03/13/13/281031313.db2.gz YRJHTBSUBHZTIP-GUYCJALGSA-N 3 1 273.424 2.110 20 0 CEADMP COC[C@@]1(C[NH2+][C@@H](c2ccccc2)C2CC2)CCC[NH2+]1 ZINC000423415158 281034603 /nfs/dbraw/zinc/03/46/03/281034603.db2.gz OSTHNYHEAISRHT-IRXDYDNUSA-N 2 1 274.408 2.496 20 0 CEADMP CC(C)[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)c(F)c1 ZINC000423435983 281041178 /nfs/dbraw/zinc/04/11/78/281041178.db2.gz PCZHACOZKLBRHS-BVIHXZOGSA-N 2 1 266.335 2.469 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)c(OC)c1 ZINC000423518897 281061823 /nfs/dbraw/zinc/06/18/23/281061823.db2.gz CQVAASVYCYGNDV-LBPRGKRZSA-N 2 1 278.396 2.497 20 0 CEADMP C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424161336 281126150 /nfs/dbraw/zinc/12/61/50/281126150.db2.gz VRIMSAXBASVTLH-JKSUJKDBSA-N 2 1 295.471 2.275 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cncn1C(C)C ZINC000424162355 281126636 /nfs/dbraw/zinc/12/66/36/281126636.db2.gz WSABKUBTKIWXHK-CYBMUJFWSA-N 2 1 275.400 2.395 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)NCC[C@H](C)[NH3+])cc1)C1CC1 ZINC000429021534 281218308 /nfs/dbraw/zinc/21/83/08/281218308.db2.gz QXMUMAIQXLFYFW-ZDUSSCGKSA-N 2 1 289.423 2.138 20 0 CEADMP C[C@@H]1CN(CC[NH+]2CCCCC2)CC[N@H+](C2CCC2)C1 ZINC000429361210 281235332 /nfs/dbraw/zinc/23/53/32/281235332.db2.gz IWHFHZUVRMIGDJ-MRXNPFEDSA-N 2 1 279.472 2.279 20 0 CEADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1F ZINC000435390999 281387613 /nfs/dbraw/zinc/38/76/13/281387613.db2.gz RDNXPMWTKIKGAM-JSGCOSHPSA-N 2 1 280.387 2.294 20 0 CEADMP C[NH2+]CCC[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000435868152 281398902 /nfs/dbraw/zinc/39/89/02/281398902.db2.gz CNDTULJLCFQQGP-UHFFFAOYSA-N 2 1 250.361 2.442 20 0 CEADMP COCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000152122145 289078166 /nfs/dbraw/zinc/07/81/66/289078166.db2.gz ZSPXKIDANISUMR-LBPRGKRZSA-N 2 1 259.353 2.478 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCn2nc(C)cc2C)[C@H](C)C1 ZINC000156354142 289194028 /nfs/dbraw/zinc/19/40/28/289194028.db2.gz FIMRFRBEYJGPFY-CZUORRHYSA-N 2 1 278.444 2.210 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(C)cn1 ZINC000156669858 289200766 /nfs/dbraw/zinc/20/07/66/289200766.db2.gz GVIDREAPCRABGV-CVEARBPZSA-N 2 1 259.397 2.449 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)cn1 ZINC000156669858 289200768 /nfs/dbraw/zinc/20/07/68/289200768.db2.gz GVIDREAPCRABGV-CVEARBPZSA-N 2 1 259.397 2.449 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)cn1 ZINC000156669858 289200770 /nfs/dbraw/zinc/20/07/70/289200770.db2.gz GVIDREAPCRABGV-CVEARBPZSA-N 2 1 259.397 2.449 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCOCC1CCOCC1 ZINC000157483188 289215361 /nfs/dbraw/zinc/21/53/61/289215361.db2.gz RQTZKIJWNZBNKL-BFYDXBDKSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000157724386 289219990 /nfs/dbraw/zinc/21/99/90/289219990.db2.gz IBAOWGQNCDIQNR-FEPKRQSRSA-N 2 1 297.443 2.114 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000157724386 289219993 /nfs/dbraw/zinc/21/99/93/289219993.db2.gz IBAOWGQNCDIQNR-FEPKRQSRSA-N 2 1 297.443 2.114 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158257652 289231057 /nfs/dbraw/zinc/23/10/57/289231057.db2.gz YOFHDUBCQGTIRW-LSDHHAIUSA-N 2 1 299.422 2.260 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]CC2(C)COC2)[C@H]1c1ccccc1 ZINC000375749031 290128988 /nfs/dbraw/zinc/12/89/88/290128988.db2.gz AZBXCPJBJLQBDL-JKSUJKDBSA-N 2 1 274.408 2.306 20 0 CEADMP C[C@H](CNC1CC[NH+](C2CC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000459380799 290132584 /nfs/dbraw/zinc/13/25/84/290132584.db2.gz UIPXTGHPXJAVFV-LSDHHAIUSA-N 2 1 279.472 2.323 20 0 CEADMP COCc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)no1 ZINC000459383301 290133251 /nfs/dbraw/zinc/13/32/51/290133251.db2.gz XKGCDGSQIPSVOG-CQSZACIVSA-N 2 1 295.427 2.423 20 0 CEADMP COCc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)no1 ZINC000459383301 290133256 /nfs/dbraw/zinc/13/32/56/290133256.db2.gz XKGCDGSQIPSVOG-CQSZACIVSA-N 2 1 295.427 2.423 20 0 CEADMP CC(C)(C[NH2+]C1CCN(C2CC2)CC1)C[NH+]1CCCC1 ZINC000459509010 290167683 /nfs/dbraw/zinc/16/76/83/290167683.db2.gz BBOGVPLFEPFTCX-UHFFFAOYSA-N 2 1 279.472 2.325 20 0 CEADMP CCOC(=O)c1coc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC000459647976 290204305 /nfs/dbraw/zinc/20/43/05/290204305.db2.gz BHFSWZKFGWAKBY-UHFFFAOYSA-N 2 1 299.330 2.394 20 0 CEADMP COc1c(O)cccc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459732806 290220557 /nfs/dbraw/zinc/22/05/57/290220557.db2.gz NAAHGFPZYYSZSR-ZDUSSCGKSA-N 2 1 278.396 2.222 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]2CCC[C@H]21 ZINC000353442227 290223930 /nfs/dbraw/zinc/22/39/30/290223930.db2.gz PBUHGCCMYOQKHO-UHDSXZAQSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]2CCC[C@H]21 ZINC000353442227 290223934 /nfs/dbraw/zinc/22/39/34/290223934.db2.gz PBUHGCCMYOQKHO-UHDSXZAQSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]2CCC[C@H]21 ZINC000353442227 290223936 /nfs/dbraw/zinc/22/39/36/290223936.db2.gz PBUHGCCMYOQKHO-UHDSXZAQSA-N 2 1 277.456 2.076 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]2CCC[C@H]21 ZINC000353442227 290223938 /nfs/dbraw/zinc/22/39/38/290223938.db2.gz PBUHGCCMYOQKHO-UHDSXZAQSA-N 3 1 277.456 2.076 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]2CCC[C@H]21 ZINC000353442227 290223941 /nfs/dbraw/zinc/22/39/41/290223941.db2.gz PBUHGCCMYOQKHO-UHDSXZAQSA-N 3 1 277.456 2.076 20 0 CEADMP C[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]2CCC[C@H]21 ZINC000353442227 290223944 /nfs/dbraw/zinc/22/39/44/290223944.db2.gz PBUHGCCMYOQKHO-UHDSXZAQSA-N 3 1 277.456 2.076 20 0 CEADMP C[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]2CCC[C@H]21 ZINC000353442227 290223948 /nfs/dbraw/zinc/22/39/48/290223948.db2.gz PBUHGCCMYOQKHO-UHDSXZAQSA-N 3 1 277.456 2.076 20 0 CEADMP C(C[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21)C[NH+]1CCCCC1 ZINC000459761371 290230278 /nfs/dbraw/zinc/23/02/78/290230278.db2.gz JVGFRSOGVMHPHP-CVEARBPZSA-N 2 1 278.440 2.363 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000459777135 290236582 /nfs/dbraw/zinc/23/65/82/290236582.db2.gz KCLLCHCRZWDVEG-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H](C[N@@H+](C)CC[C@@H]1CCC[NH+]1C)C(=O)OC(C)(C)C ZINC000459788945 290240509 /nfs/dbraw/zinc/24/05/09/290240509.db2.gz DIYUFNLISOHGTR-KGLIPLIRSA-N 2 1 284.444 2.380 20 0 CEADMP C[C@H](C[NH+](C)CC[C@@H]1CCC[N@@H+]1C)C(=O)OC(C)(C)C ZINC000459788945 290240512 /nfs/dbraw/zinc/24/05/12/290240512.db2.gz DIYUFNLISOHGTR-KGLIPLIRSA-N 2 1 284.444 2.380 20 0 CEADMP C(=C\c1ccncc1)\C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000486949321 290323040 /nfs/dbraw/zinc/32/30/40/290323040.db2.gz ZTOBQNIGSJWVSF-VPGVIOTPSA-N 2 1 257.381 2.311 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCN(C(C)(C)C)CC2)CC[NH2+]1 ZINC000334837857 297251727 /nfs/dbraw/zinc/25/17/27/297251727.db2.gz CRMQRUCQSWWSPW-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H](CN2CCC[N@@H+](C(C)(C)C)CC2)CC[NH2+]1 ZINC000334837857 297251729 /nfs/dbraw/zinc/25/17/29/297251729.db2.gz CRMQRUCQSWWSPW-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H](CN2CCC[N@H+](C(C)(C)C)CC2)CC[NH2+]1 ZINC000334837857 297251731 /nfs/dbraw/zinc/25/17/31/297251731.db2.gz CRMQRUCQSWWSPW-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC3(CCC3)C2)CC[N@@H+]1C ZINC000158866602 297286713 /nfs/dbraw/zinc/28/67/13/297286713.db2.gz KCCQADFCCUFQAM-HZSPNIEDSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC3(CCC3)C2)CC[N@H+]1C ZINC000158866602 297286714 /nfs/dbraw/zinc/28/67/14/297286714.db2.gz KCCQADFCCUFQAM-HZSPNIEDSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CCC(C)(C)C)CC[N@@H+]1C ZINC000359073792 297287345 /nfs/dbraw/zinc/28/73/45/297287345.db2.gz WELHVCRRHXKEDO-RDBSUJKOSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CCC(C)(C)C)CC[N@H+]1C ZINC000359073792 297287347 /nfs/dbraw/zinc/28/73/47/297287347.db2.gz WELHVCRRHXKEDO-RDBSUJKOSA-N 2 1 256.434 2.246 20 0 CEADMP Cc1cccc2c1cc[nH+]c2N1CCC([NH2+]CCO)CC1 ZINC000514934542 297557752 /nfs/dbraw/zinc/55/77/52/297557752.db2.gz QFVSCOANSNITSV-UHFFFAOYSA-N 2 1 285.391 2.094 20 0 CEADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530176640 298045194 /nfs/dbraw/zinc/04/51/94/298045194.db2.gz DTYHCGIJLJHDFD-GJZGRUSLSA-N 2 1 293.455 2.042 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000530213091 298051634 /nfs/dbraw/zinc/05/16/34/298051634.db2.gz UAGKUCUVIPKKEL-MAZHCROVSA-N 2 1 280.387 2.052 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000530214965 298051997 /nfs/dbraw/zinc/05/19/97/298051997.db2.gz ZNTGQXJJBNICJK-HZPDHXFCSA-N 2 1 295.471 2.225 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000530214965 298051999 /nfs/dbraw/zinc/05/19/99/298051999.db2.gz ZNTGQXJJBNICJK-HZPDHXFCSA-N 2 1 295.471 2.225 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531708893 298116644 /nfs/dbraw/zinc/11/66/44/298116644.db2.gz QMFLZJRRBXVXPO-GFCCVEGCSA-N 2 1 298.390 2.427 20 0 CEADMP Cc1ccccc1[C@H](CO)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531739079 298118478 /nfs/dbraw/zinc/11/84/78/298118478.db2.gz GQBXQQRNDKDHAW-DZKIICNBSA-N 2 1 262.397 2.101 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000531739079 298118482 /nfs/dbraw/zinc/11/84/82/298118482.db2.gz GQBXQQRNDKDHAW-DZKIICNBSA-N 2 1 262.397 2.101 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)c1C ZINC000531965902 298126988 /nfs/dbraw/zinc/12/69/88/298126988.db2.gz SRAFLYMITKNONY-LRDDRELGSA-N 2 1 278.444 2.340 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)c1C ZINC000531965902 298126989 /nfs/dbraw/zinc/12/69/89/298126989.db2.gz SRAFLYMITKNONY-LRDDRELGSA-N 2 1 278.444 2.340 20 0 CEADMP CCc1cc(NCC[N@@H+]2CCO[C@H](C)C2)c2ccccc2[nH+]1 ZINC000533560286 298167235 /nfs/dbraw/zinc/16/72/35/298167235.db2.gz BLHMTUUNBPZTFY-CQSZACIVSA-N 2 1 299.418 2.352 20 0 CEADMP CCc1cc(NCC[N@H+]2CCO[C@H](C)C2)c2ccccc2[nH+]1 ZINC000533560286 298167237 /nfs/dbraw/zinc/16/72/37/298167237.db2.gz BLHMTUUNBPZTFY-CQSZACIVSA-N 2 1 299.418 2.352 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000541744193 298284232 /nfs/dbraw/zinc/28/42/32/298284232.db2.gz YZIVVJIJXXRYEJ-XNRPHZJLSA-N 2 1 296.842 2.488 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccco2)c2ccccc21 ZINC000566672528 299013449 /nfs/dbraw/zinc/01/34/49/299013449.db2.gz BYXDFIBUKOEHKG-CSMYWGQOSA-N 2 1 286.375 2.165 20 0 CEADMP [NH3+]CCC[N@@H+](CCC(=O)NC1CCCC1)CC1CCCC1 ZINC000352519813 303377166 /nfs/dbraw/zinc/37/71/66/303377166.db2.gz RPCZPMCFOHEOCG-UHFFFAOYSA-N 2 1 295.471 2.276 20 0 CEADMP CCO[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000515725850 313076324 /nfs/dbraw/zinc/07/63/24/313076324.db2.gz XXEVBBBDXYWUOJ-QZTJIDSGSA-N 2 1 288.435 2.461 20 0 CEADMP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccn1 ZINC000527540945 313184274 /nfs/dbraw/zinc/18/42/74/313184274.db2.gz ZIMBRYLOFHFBCW-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)ccn1 ZINC000527540945 313184275 /nfs/dbraw/zinc/18/42/75/313184275.db2.gz ZIMBRYLOFHFBCW-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccn1 ZINC000527540945 313184278 /nfs/dbraw/zinc/18/42/78/313184278.db2.gz ZIMBRYLOFHFBCW-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccn1 ZINC000527540945 313184280 /nfs/dbraw/zinc/18/42/80/313184280.db2.gz ZIMBRYLOFHFBCW-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[NH+]2C2CCCC2)CC[N@H+]1C ZINC000528007675 313224155 /nfs/dbraw/zinc/22/41/55/313224155.db2.gz BPXAGQNDUYRZTH-YCPHGPKFSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+]2C2CCCC2)CC[NH+]1C ZINC000528007675 313224159 /nfs/dbraw/zinc/22/41/59/313224159.db2.gz BPXAGQNDUYRZTH-YCPHGPKFSA-N 2 1 265.445 2.076 20 0 CEADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000530227262 313286001 /nfs/dbraw/zinc/28/60/01/313286001.db2.gz WRVJCOUDPKGXIX-XHSDSOJGSA-N 2 1 287.407 2.063 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]CC2CCCCC2)CC1 ZINC000563416130 313737330 /nfs/dbraw/zinc/73/73/30/313737330.db2.gz GBVCKKBDEPCTKZ-UHFFFAOYSA-N 2 1 254.418 2.003 20 0 CEADMP C[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[NH+]1CC(C)C1 ZINC000564585259 313769780 /nfs/dbraw/zinc/76/97/80/313769780.db2.gz KYKXCJFPXNCWMJ-CQSZACIVSA-N 2 1 289.423 2.069 20 0 CEADMP CCC[C@@H](C)[C@@H](CO)[NH2+]CCCCn1cc[nH+]c1C ZINC000574210272 314197087 /nfs/dbraw/zinc/19/70/87/314197087.db2.gz QTRLWNQDDVOGLV-UKRRQHHQSA-N 2 1 267.417 2.358 20 0 CEADMP c1[nH]c(-c2ccccc2)nc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000576327830 314264054 /nfs/dbraw/zinc/26/40/54/314264054.db2.gz KGBSGJCPUAAQFF-ZDUSSCGKSA-N 2 1 270.380 2.166 20 0 CEADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000576357908 314268433 /nfs/dbraw/zinc/26/84/33/314268433.db2.gz UBEBLUGJPBWCKR-CQSZACIVSA-N 2 1 289.423 2.071 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000577624946 314397245 /nfs/dbraw/zinc/39/72/45/314397245.db2.gz ZFNXIIWLQJGMQG-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000577624946 314397248 /nfs/dbraw/zinc/39/72/48/314397248.db2.gz ZFNXIIWLQJGMQG-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000577624946 314397249 /nfs/dbraw/zinc/39/72/49/314397249.db2.gz ZFNXIIWLQJGMQG-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP COc1cc2c(cc1C[NH2+]C[C@H](C)C[NH+](C)C)O[C@@H](C)C2 ZINC000386744485 321873504 /nfs/dbraw/zinc/87/35/04/321873504.db2.gz YHIKQYRSFZXKQO-STQMWFEESA-N 2 1 292.423 2.306 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000580342026 322312997 /nfs/dbraw/zinc/31/29/97/322312997.db2.gz OZMGFOBILNCPKW-DGCLKSJQSA-N 2 1 270.380 2.250 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000580342026 322312998 /nfs/dbraw/zinc/31/29/98/322312998.db2.gz OZMGFOBILNCPKW-DGCLKSJQSA-N 2 1 270.380 2.250 20 0 CEADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1nccn1-c1ccccc1 ZINC000580417302 322316170 /nfs/dbraw/zinc/31/61/70/322316170.db2.gz MGQNDFPFDGGURI-ZBFHGGJFSA-N 2 1 284.407 2.479 20 0 CEADMP CC(C)CC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000580710317 322337384 /nfs/dbraw/zinc/33/73/84/322337384.db2.gz ZJAMCNXTVXEUPI-LSDHHAIUSA-N 2 1 256.434 2.105 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000580910250 322353992 /nfs/dbraw/zinc/35/39/92/322353992.db2.gz IQJSWOQBWOMAEV-VGWMRTNUSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000581134729 322372186 /nfs/dbraw/zinc/37/21/86/322372186.db2.gz YNFVRQOFDPCZEQ-INIZCTEOSA-N 2 1 295.471 2.227 20 0 CEADMP [NH3+]CCC1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000582423905 322472739 /nfs/dbraw/zinc/47/27/39/322472739.db2.gz PBFVVXCPGSQOPG-UHFFFAOYSA-N 2 1 289.427 2.032 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000558261093 327084076 /nfs/dbraw/zinc/08/40/76/327084076.db2.gz XJGHZLOZDAGUGP-ZOBUZTSGSA-N 2 1 275.440 2.362 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000558261093 327084078 /nfs/dbraw/zinc/08/40/78/327084078.db2.gz XJGHZLOZDAGUGP-ZOBUZTSGSA-N 2 1 275.440 2.362 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)CCO1 ZINC000422986225 500624085 /nfs/dbraw/zinc/62/40/85/500624085.db2.gz GTFZRNNSKNNIPR-ZOWXZIJZSA-N 2 1 263.385 2.348 20 0 CEADMP CC[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162285155 517756961 /nfs/dbraw/zinc/75/69/61/517756961.db2.gz MBALQIVLDRVSGF-LLVKDONJSA-N 2 1 262.401 2.450 20 0 CEADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000366347121 519367247 /nfs/dbraw/zinc/36/72/47/519367247.db2.gz NECMBGFDJMVDNQ-ZBFHGGJFSA-N 2 1 295.471 2.273 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCCOC)CC1 ZINC000052210057 520399602 /nfs/dbraw/zinc/39/96/02/520399602.db2.gz VNPWRTHMYFFSJV-UHFFFAOYSA-N 2 1 256.434 2.467 20 0 CEADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1O ZINC000157648635 520729081 /nfs/dbraw/zinc/72/90/81/520729081.db2.gz JVNRLGKKNCKHJB-TZMCWYRMSA-N 2 1 278.396 2.363 20 0 CEADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1O ZINC000157648635 520729087 /nfs/dbraw/zinc/72/90/87/520729087.db2.gz JVNRLGKKNCKHJB-TZMCWYRMSA-N 2 1 278.396 2.363 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156144643 522060675 /nfs/dbraw/zinc/06/06/75/522060675.db2.gz MNTZMHQYNYDTTL-CQSZACIVSA-N 2 1 291.439 2.208 20 0 CEADMP C[N@@H+](CC1CCOCC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000363460092 522665908 /nfs/dbraw/zinc/66/59/08/522665908.db2.gz WRDPYDBOKLKZRV-UHFFFAOYSA-N 2 1 289.423 2.409 20 0 CEADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363786240 523490916 /nfs/dbraw/zinc/49/09/16/523490916.db2.gz QTCKIKNLOFEIKW-YYIAUSFCSA-N 2 1 298.471 2.281 20 0 CEADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363786240 523490921 /nfs/dbraw/zinc/49/09/21/523490921.db2.gz QTCKIKNLOFEIKW-YYIAUSFCSA-N 2 1 298.471 2.281 20 0 CEADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+]C(C)C)c1 ZINC000052572853 523615330 /nfs/dbraw/zinc/61/53/30/523615330.db2.gz KESVFXVBIXXDEU-UHFFFAOYSA-N 2 1 280.412 2.142 20 0 CEADMP C[NH+](C)CCC[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000363664336 524057727 /nfs/dbraw/zinc/05/77/27/524057727.db2.gz IWHPUTZKPGNMOA-ZDUSSCGKSA-N 2 1 279.359 2.140 20 0 CEADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)CC1CCCCC1 ZINC000358123552 524740853 /nfs/dbraw/zinc/74/08/53/524740853.db2.gz WHXQPXHAXVZLOF-ZBFHGGJFSA-N 2 1 268.445 2.249 20 0 CEADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)CC1CCCCC1 ZINC000358123552 524740860 /nfs/dbraw/zinc/74/08/60/524740860.db2.gz WHXQPXHAXVZLOF-ZBFHGGJFSA-N 2 1 268.445 2.249 20 0 CEADMP Cc1cc2ncc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)c(C)n2n1 ZINC000049553699 525682107 /nfs/dbraw/zinc/68/21/07/525682107.db2.gz DYMTZWZIFRSSLH-DGCLKSJQSA-N 2 1 289.427 2.337 20 0 CEADMP c1cnn(CCCCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150769236 526554119 /nfs/dbraw/zinc/55/41/19/526554119.db2.gz WJRVFOWRNQFXJV-KRWDZBQOSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1noc(C2(C)CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000364700109 526578614 /nfs/dbraw/zinc/57/86/14/526578614.db2.gz UXKFRJASVWJHDJ-CQSZACIVSA-N 2 1 292.427 2.216 20 0 CEADMP Cc1noc(C2(C)CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000364700109 526578620 /nfs/dbraw/zinc/57/86/20/526578620.db2.gz UXKFRJASVWJHDJ-CQSZACIVSA-N 2 1 292.427 2.216 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000368974464 527683075 /nfs/dbraw/zinc/68/30/75/527683075.db2.gz PKUMBULFKVPLDL-BDXSIMOUSA-N 2 1 292.467 2.344 20 0 CEADMP O[C@H](CC1CCCC1)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000368974464 527683077 /nfs/dbraw/zinc/68/30/77/527683077.db2.gz PKUMBULFKVPLDL-BDXSIMOUSA-N 2 1 292.467 2.344 20 0 CEADMP O[C@H](CC1CCCC1)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000368974464 527683080 /nfs/dbraw/zinc/68/30/80/527683080.db2.gz PKUMBULFKVPLDL-BDXSIMOUSA-N 2 1 292.467 2.344 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCOC)[C@H](C)C1 ZINC000174770626 527832657 /nfs/dbraw/zinc/83/26/57/527832657.db2.gz RVBPXOVGMNIEHW-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCOC)[C@H](C)C1 ZINC000174770626 527832661 /nfs/dbraw/zinc/83/26/61/527832661.db2.gz RVBPXOVGMNIEHW-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCOC)[C@H](C)C1 ZINC000174770626 527832664 /nfs/dbraw/zinc/83/26/64/527832664.db2.gz RVBPXOVGMNIEHW-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)[C@]12CCCO2 ZINC000354984705 527950385 /nfs/dbraw/zinc/95/03/85/527950385.db2.gz QELGPHXEJXBIPC-NQNKBUKLSA-N 2 1 296.455 2.033 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccnn2C)CC1 ZINC000192646073 527963331 /nfs/dbraw/zinc/96/33/31/527963331.db2.gz AVEFJOUFSMBCBL-CYBMUJFWSA-N 2 1 264.417 2.191 20 0 CEADMP CC1(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC000414903360 527988377 /nfs/dbraw/zinc/98/83/77/527988377.db2.gz LTNJNIGWKNJYOC-IRXDYDNUSA-N 3 1 287.451 2.459 20 0 CEADMP CCCN(CC[NH+](C)C)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000355018278 528073011 /nfs/dbraw/zinc/07/30/11/528073011.db2.gz OWVMGZDRKBXVLQ-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCC[N@@H+](CCOCC[NH3+])[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000357105289 528101889 /nfs/dbraw/zinc/10/18/89/528101889.db2.gz NUMDMIWQTHISRX-CVEARBPZSA-N 2 1 298.471 2.412 20 0 CEADMP CC[N@@H+](CCOCC[NH3+])Cc1cccc(Cl)c1 ZINC000357070005 528566787 /nfs/dbraw/zinc/56/67/87/528566787.db2.gz IOTDJVMEBQGZEO-UHFFFAOYSA-N 2 1 256.777 2.137 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000355812534 528816728 /nfs/dbraw/zinc/81/67/28/528816728.db2.gz PXDYVAPMIQGAPI-UHFFFAOYSA-N 2 1 291.439 2.208 20 0 CEADMP CCCC[C@H](C[NH3+])NC(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000417692670 528940999 /nfs/dbraw/zinc/94/09/99/528940999.db2.gz AOLCDPNMVYNJGJ-HUUCEWRRSA-N 2 1 298.475 2.068 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[N@H+](CC)C[C@@H]1CC ZINC000412392768 528995087 /nfs/dbraw/zinc/99/50/87/528995087.db2.gz CLINUBBKOJCCPQ-LSDHHAIUSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC000412392768 528995091 /nfs/dbraw/zinc/99/50/91/528995091.db2.gz CLINUBBKOJCCPQ-LSDHHAIUSA-N 2 1 283.460 2.096 20 0 CEADMP Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000153711385 538858767 /nfs/dbraw/zinc/85/87/67/538858767.db2.gz LBGRZXVUGCYYDH-UHFFFAOYSA-N 2 1 268.364 2.107 20 0 CEADMP CCCC[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000726695053 574429039 /nfs/dbraw/zinc/42/90/39/574429039.db2.gz BJIWLOLNXISCAG-AWEZNQCLSA-N 2 1 281.469 2.426 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[NH+](CC)CC1 ZINC000735657552 574763775 /nfs/dbraw/zinc/76/37/75/574763775.db2.gz SLEVAPQXGQQLGW-UHFFFAOYSA-N 2 1 283.460 2.053 20 0 CEADMP O[C@H](C[NH2+]C1(c2ccccc2)CCC1)C[NH+]1CCCC1 ZINC000747668289 575173273 /nfs/dbraw/zinc/17/32/73/575173273.db2.gz ATUMNAAARXPLRM-MRXNPFEDSA-N 2 1 274.408 2.112 20 0 CEADMP CC(C)(C)C(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000753723666 575337442 /nfs/dbraw/zinc/33/74/42/575337442.db2.gz OTZARUOYMCINNQ-CQSZACIVSA-N 2 1 266.429 2.409 20 0 CEADMP CC(C)(C)C(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000753723666 575337443 /nfs/dbraw/zinc/33/74/43/575337443.db2.gz OTZARUOYMCINNQ-CQSZACIVSA-N 2 1 266.429 2.409 20 0 CEADMP CC(C)[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981338318 613968105 /nfs/dbraw/zinc/96/81/05/613968105.db2.gz VWAFUJKWQQLYBN-CABCVRRESA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968780319 614087038 /nfs/dbraw/zinc/08/70/38/614087038.db2.gz CTWNCFAZTOAHCJ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000968780319 614087040 /nfs/dbraw/zinc/08/70/40/614087040.db2.gz CTWNCFAZTOAHCJ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000968780319 614087042 /nfs/dbraw/zinc/08/70/42/614087042.db2.gz CTWNCFAZTOAHCJ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC000960682882 614265034 /nfs/dbraw/zinc/26/50/34/614265034.db2.gz MNEGOFQBDMSKEZ-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC000960682882 614265036 /nfs/dbraw/zinc/26/50/36/614265036.db2.gz MNEGOFQBDMSKEZ-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC000960682882 614265038 /nfs/dbraw/zinc/26/50/38/614265038.db2.gz MNEGOFQBDMSKEZ-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC(CC)C[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000948779254 614558534 /nfs/dbraw/zinc/55/85/34/614558534.db2.gz MUXQMENTSVVSBW-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707559 614734771 /nfs/dbraw/zinc/73/47/71/614734771.db2.gz JJQBNFBQFFXPPF-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000960913142 614871953 /nfs/dbraw/zinc/87/19/53/614871953.db2.gz GDVOSRMIGJOZEU-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCC)CC1 ZINC000957286951 614980805 /nfs/dbraw/zinc/98/08/05/614980805.db2.gz PJIBHUINMSBZII-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCC)CC1 ZINC000957286951 614980810 /nfs/dbraw/zinc/98/08/10/614980810.db2.gz PJIBHUINMSBZII-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC)C1 ZINC000972704148 614981041 /nfs/dbraw/zinc/98/10/41/614981041.db2.gz OBTBWLUAQVSRDY-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC000972704148 614981044 /nfs/dbraw/zinc/98/10/44/614981044.db2.gz OBTBWLUAQVSRDY-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC000972704148 614981049 /nfs/dbraw/zinc/98/10/49/614981049.db2.gz OBTBWLUAQVSRDY-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625035 615026424 /nfs/dbraw/zinc/02/64/24/615026424.db2.gz MYYHREIVJBMAKT-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940625035 615026426 /nfs/dbraw/zinc/02/64/26/615026426.db2.gz MYYHREIVJBMAKT-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940625035 615026427 /nfs/dbraw/zinc/02/64/27/615026427.db2.gz MYYHREIVJBMAKT-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975045502 615031782 /nfs/dbraw/zinc/03/17/82/615031782.db2.gz AUEYATTTZJODKQ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975045502 615031783 /nfs/dbraw/zinc/03/17/83/615031783.db2.gz AUEYATTTZJODKQ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975045502 615031786 /nfs/dbraw/zinc/03/17/86/615031786.db2.gz AUEYATTTZJODKQ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1C[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974681741 615413844 /nfs/dbraw/zinc/41/38/44/615413844.db2.gz LJMNDUAZLHFCBD-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1C[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974681741 615413845 /nfs/dbraw/zinc/41/38/45/615413845.db2.gz LJMNDUAZLHFCBD-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1C[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974681741 615413846 /nfs/dbraw/zinc/41/38/46/615413846.db2.gz LJMNDUAZLHFCBD-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123921016 623553217 /nfs/dbraw/zinc/55/32/17/623553217.db2.gz DPAFHISLJIYHCB-CZUORRHYSA-N 2 1 274.408 2.332 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccnc2Cl)C1 ZINC000070170799 623560377 /nfs/dbraw/zinc/56/03/77/623560377.db2.gz CVCCWEPCGMHDSW-NSHDSACASA-N 2 1 253.777 2.296 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C12CCC2 ZINC000308384598 623675120 /nfs/dbraw/zinc/67/51/20/623675120.db2.gz ZHTLEGICICDQSJ-UONOGXRCSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261937985 623686778 /nfs/dbraw/zinc/68/67/78/623686778.db2.gz MHSIYTVDQUJVRT-CQSZACIVSA-N 2 1 284.407 2.176 20 0 CEADMP CO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C12CCC2 ZINC000308433175 623686978 /nfs/dbraw/zinc/68/69/78/623686978.db2.gz ZGOZRLUTJLJROF-CHZLEKFTSA-N 2 1 264.413 2.159 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1C ZINC000261965913 623814616 /nfs/dbraw/zinc/81/46/16/623814616.db2.gz HSRKMFWRFOHZHU-UHFFFAOYSA-N 2 1 290.455 2.485 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCc3ccc(O)cc3C2)CC1 ZINC000891711037 623918689 /nfs/dbraw/zinc/91/86/89/623918689.db2.gz YBQLWUPUOYWREQ-UHFFFAOYSA-N 2 1 260.381 2.092 20 0 CEADMP Cc1cc([C@H]2CCC[N@@H+]2CC2CC[NH+](C)CC2)on1 ZINC000891719400 623925240 /nfs/dbraw/zinc/92/52/40/623925240.db2.gz RKYKDZOZBQVZOU-CQSZACIVSA-N 2 1 263.385 2.462 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(N3CCC([NH+](C)C)CC3)c12 ZINC000891779400 623961733 /nfs/dbraw/zinc/96/17/33/623961733.db2.gz KBHCPDFKJNNJAD-UHFFFAOYSA-N 2 1 273.384 2.051 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cc[nH+]cc2CO)C1 ZINC000891897473 624078585 /nfs/dbraw/zinc/07/85/85/624078585.db2.gz HZEZIVLNVQEDPP-LZWOXQAQSA-N 2 1 289.423 2.416 20 0 CEADMP C[C@@H]1CC2(CC([NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)C2)CO1 ZINC000926286263 624079528 /nfs/dbraw/zinc/07/95/28/624079528.db2.gz DKMDQXRDYVGMCM-NUWOQIAWSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1CC2(CC([NH2+]CCC[N@H+]3CCCO[C@H](C)C3)C2)CO1 ZINC000926286263 624079533 /nfs/dbraw/zinc/07/95/33/624079533.db2.gz DKMDQXRDYVGMCM-NUWOQIAWSA-N 2 1 296.455 2.035 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(c2cc(N(C)C)ncn2)CC1 ZINC000891912743 624091850 /nfs/dbraw/zinc/09/18/50/624091850.db2.gz JAENJVYFTGOHMC-UHFFFAOYSA-N 2 1 291.443 2.099 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000892086539 624305916 /nfs/dbraw/zinc/30/59/16/624305916.db2.gz RMDVSVAOHGGUDJ-QGZVFWFLSA-N 3 1 279.472 2.279 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262139629 624592430 /nfs/dbraw/zinc/59/24/30/624592430.db2.gz ZANBNFCOYFFIGR-UHFFFAOYSA-N 2 1 290.407 2.279 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCSC(F)(F)F)C1 ZINC000123619947 624791882 /nfs/dbraw/zinc/79/18/82/624791882.db2.gz YENCBBKRKNMDHA-SECBINFHSA-N 2 1 256.337 2.300 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000926549624 625031530 /nfs/dbraw/zinc/03/15/30/625031530.db2.gz ALYQSKHYJJHBOV-YIONKMFJSA-N 2 1 280.456 2.248 20 0 CEADMP CNc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000902041429 634432302 /nfs/dbraw/zinc/43/23/02/634432302.db2.gz KCJLKJNIQVBCHD-UHFFFAOYSA-N 2 1 259.397 2.445 20 0 CEADMP CCn1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(C)n1 ZINC000892509673 625740220 /nfs/dbraw/zinc/74/02/20/625740220.db2.gz ALASTEZKFCVNBY-GFCCVEGCSA-N 2 1 275.400 2.142 20 0 CEADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737222 625927669 /nfs/dbraw/zinc/92/76/69/625927669.db2.gz DJJQZMXCDXSCCD-HDEZJCGLSA-N 2 1 280.456 2.369 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(-n2cnnc2)c1 ZINC000820809431 634535293 /nfs/dbraw/zinc/53/52/93/634535293.db2.gz AOQAJKPGOMGTET-GJZGRUSLSA-N 2 1 299.422 2.260 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000926755022 627286054 /nfs/dbraw/zinc/28/60/54/627286054.db2.gz WLNYVVCCEDKVKI-HUUCEWRRSA-N 2 1 261.413 2.334 20 0 CEADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006925012 627286112 /nfs/dbraw/zinc/28/61/12/627286112.db2.gz JPRLSBHETGQBGE-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001006925012 627286118 /nfs/dbraw/zinc/28/61/18/627286118.db2.gz JPRLSBHETGQBGE-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006925012 627286122 /nfs/dbraw/zinc/28/61/22/627286122.db2.gz JPRLSBHETGQBGE-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)[C@H]1OC ZINC000892585132 627292037 /nfs/dbraw/zinc/29/20/37/627292037.db2.gz QEROGGYBJKIAHB-YLFCFFPRSA-N 2 1 298.471 2.423 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(F)cc2C)C1 ZINC000892668515 627377183 /nfs/dbraw/zinc/37/71/83/627377183.db2.gz NODAAWZJXNSNCS-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(F)cc2C)C1 ZINC000892668515 627377185 /nfs/dbraw/zinc/37/71/85/627377185.db2.gz NODAAWZJXNSNCS-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP CC(C)C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000311661521 627688116 /nfs/dbraw/zinc/68/81/16/627688116.db2.gz GLEDSUJQYNDIKU-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000311661521 627688121 /nfs/dbraw/zinc/68/81/21/627688121.db2.gz GLEDSUJQYNDIKU-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000902335968 634597353 /nfs/dbraw/zinc/59/73/53/634597353.db2.gz XKZUSOMIXKHYMD-HNNXBMFYSA-N 3 1 267.461 2.230 20 0 CEADMP C[C@@H](CCNc1cc[nH+]cc1CO)[N@@H+](C)Cc1ccccc1 ZINC000892771173 627761025 /nfs/dbraw/zinc/76/10/25/627761025.db2.gz DXBGCKGJQCRJQY-HNNXBMFYSA-N 2 1 299.418 2.318 20 0 CEADMP Cn1nc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c2ccccc21 ZINC000902373499 634604983 /nfs/dbraw/zinc/60/49/83/634604983.db2.gz DZUWEHULBREIGR-ZDUSSCGKSA-N 2 1 286.423 2.441 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000902352279 634609292 /nfs/dbraw/zinc/60/92/92/634609292.db2.gz KAJROKFBUNDTIF-CHWSQXEVSA-N 2 1 262.401 2.155 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC000902352279 634609295 /nfs/dbraw/zinc/60/92/95/634609295.db2.gz KAJROKFBUNDTIF-CHWSQXEVSA-N 2 1 262.401 2.155 20 0 CEADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)n1 ZINC000892943082 627871666 /nfs/dbraw/zinc/87/16/66/627871666.db2.gz CYFKVIXEFDEPOV-HNNXBMFYSA-N 2 1 278.444 2.421 20 0 CEADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(C)n1 ZINC000892943082 627871669 /nfs/dbraw/zinc/87/16/69/627871669.db2.gz CYFKVIXEFDEPOV-HNNXBMFYSA-N 2 1 278.444 2.421 20 0 CEADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(C)n1 ZINC000892943083 627871896 /nfs/dbraw/zinc/87/18/96/627871896.db2.gz CYFKVIXEFDEPOV-OAHLLOKOSA-N 2 1 278.444 2.421 20 0 CEADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(C)n1 ZINC000892943083 627871899 /nfs/dbraw/zinc/87/18/99/627871899.db2.gz CYFKVIXEFDEPOV-OAHLLOKOSA-N 2 1 278.444 2.421 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358982 634615054 /nfs/dbraw/zinc/61/50/54/634615054.db2.gz APELTGZFLDUKKQ-ZFWWWQNUSA-N 3 1 278.444 2.195 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2Cc3ccccc3CN2)C1 ZINC000902408228 634623091 /nfs/dbraw/zinc/62/30/91/634623091.db2.gz YQGIVGNNGWLVKZ-IAGOWNOFSA-N 2 1 287.451 2.069 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C12CCC2 ZINC000925515343 628053364 /nfs/dbraw/zinc/05/33/64/628053364.db2.gz HSLCLYARSRKAMH-YNEHKIRRSA-N 2 1 252.402 2.064 20 0 CEADMP C[C@@H](CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000925548880 628191573 /nfs/dbraw/zinc/19/15/73/628191573.db2.gz UQBWOJRYGZXXQC-BPKGMFCQSA-N 2 1 293.499 2.473 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902400258 634637384 /nfs/dbraw/zinc/63/73/84/634637384.db2.gz ZOOMQIZYMMPUIO-OKILXGFUSA-N 2 1 267.461 2.132 20 0 CEADMP COc1ccc2[nH+]ccc(N[C@@H]3CCn4cc[nH+]c4C3)c2c1 ZINC000893265052 628209127 /nfs/dbraw/zinc/20/91/27/628209127.db2.gz KQNHMBPWFCTRDI-GFCCVEGCSA-N 2 1 294.358 2.289 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000925558947 628224237 /nfs/dbraw/zinc/22/42/37/628224237.db2.gz UGEKMQVVGDEPFR-PWSUYJOCSA-N 2 1 253.777 2.008 20 0 CEADMP COc1nc(C)cc(C)c1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925608879 628290412 /nfs/dbraw/zinc/29/04/12/628290412.db2.gz LGZQUIQEGFPBHB-ZIAGYGMSSA-N 2 1 275.396 2.067 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)N1CCCCC1 ZINC000925611150 628293999 /nfs/dbraw/zinc/29/39/99/628293999.db2.gz APZCYIOOWKHRCI-XUWVNRHRSA-N 2 1 279.472 2.227 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1cn2ccnc2s1 ZINC000893322994 628316364 /nfs/dbraw/zinc/31/63/64/628316364.db2.gz ZPYLJEXSAJMPHW-UHFFFAOYSA-N 2 1 266.414 2.217 20 0 CEADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCCC(C)(C)CO)c1ccccc1 ZINC000925624113 628317229 /nfs/dbraw/zinc/31/72/29/628317229.db2.gz VGHPGVSFVRFZBT-UKRRQHHQSA-N 2 1 264.413 2.463 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1c[nH+]ccc1N ZINC000902428469 634649286 /nfs/dbraw/zinc/64/92/86/634649286.db2.gz DCCPICXMAIICDY-JVLSTEMRSA-N 2 1 261.369 2.102 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000902418720 634644560 /nfs/dbraw/zinc/64/45/60/634644560.db2.gz YVOIQHIXFRVARA-JTQLQIEISA-N 2 1 273.380 2.058 20 0 CEADMP CC(C)(C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(F)(F)F ZINC000925666142 628382625 /nfs/dbraw/zinc/38/26/25/628382625.db2.gz OEWSPVYIZBDEJS-MFDAYCCISA-N 2 1 262.319 2.161 20 0 CEADMP COc1cccc(C2(CN[C@H]3CCC[NH2+][C@H]3C)CC2)c1 ZINC000925667336 628387345 /nfs/dbraw/zinc/38/73/45/628387345.db2.gz BUXHYGYIBFHTCR-BBRMVZONSA-N 2 1 274.408 2.457 20 0 CEADMP COc1cccc(C2(C[NH2+][C@H]3CCC[NH2+][C@H]3C)CC2)c1 ZINC000925667336 628387346 /nfs/dbraw/zinc/38/73/46/628387346.db2.gz BUXHYGYIBFHTCR-BBRMVZONSA-N 2 1 274.408 2.457 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)[C@@H]1CCC[NH2+]1 ZINC000902433209 634654825 /nfs/dbraw/zinc/65/48/25/634654825.db2.gz YRKXINMJFJLTSK-ZQDZILKHSA-N 2 1 252.402 2.064 20 0 CEADMP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1(Cl)Cl ZINC000925679486 628473427 /nfs/dbraw/zinc/47/34/27/628473427.db2.gz DCPZBWRIETWLOW-ZJUUUORDSA-N 2 1 263.212 2.445 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902443081 634660475 /nfs/dbraw/zinc/66/04/75/634660475.db2.gz CKNFABQWZXGEKO-SWLSCSKDSA-N 2 1 262.397 2.214 20 0 CEADMP C[NH+]1C[C@@]2(C)C[NH+](CC[C@H](O)c3ccccc3)C[C@]2(C)C1 ZINC000931314005 628515324 /nfs/dbraw/zinc/51/53/24/628515324.db2.gz IEWXNEFSXXKQQS-BZSNNMDCSA-N 2 1 288.435 2.384 20 0 CEADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H]3CC(C)(C)CO3)C[C@]2(C)C1 ZINC000931318534 628519470 /nfs/dbraw/zinc/51/94/70/628519470.db2.gz UXPHAQAGLDFDCA-BMFZPTHFSA-N 2 1 266.429 2.075 20 0 CEADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@H]3CC(C)(C)CO3)C[C@]2(C)C1 ZINC000931318534 628519474 /nfs/dbraw/zinc/51/94/74/628519474.db2.gz UXPHAQAGLDFDCA-BMFZPTHFSA-N 2 1 266.429 2.075 20 0 CEADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@]2(C)C1 ZINC000931318534 628519478 /nfs/dbraw/zinc/51/94/78/628519478.db2.gz UXPHAQAGLDFDCA-BMFZPTHFSA-N 2 1 266.429 2.075 20 0 CEADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@]2(C)C1 ZINC000931318534 628519483 /nfs/dbraw/zinc/51/94/83/628519483.db2.gz UXPHAQAGLDFDCA-BMFZPTHFSA-N 2 1 266.429 2.075 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCSC(F)(F)F)C2 ZINC000310098193 628549819 /nfs/dbraw/zinc/54/98/19/628549819.db2.gz AOTTTXVSJGKFCN-UWVGGRQHSA-N 2 1 268.348 2.300 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000925706550 628552813 /nfs/dbraw/zinc/55/28/13/628552813.db2.gz LPGXKEVTKPIZHZ-DZGCQCFKSA-N 2 1 265.445 2.124 20 0 CEADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1C[C@H](O)c3ccccc31)[NH2+]2 ZINC000925710754 628559927 /nfs/dbraw/zinc/55/99/27/628559927.db2.gz QSUBKCYPYCJNTR-KUNLSLKHSA-N 2 1 272.392 2.283 20 0 CEADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925712421 628563348 /nfs/dbraw/zinc/56/33/48/628563348.db2.gz URQQZPQUIHSGEH-AAVRWANBSA-N 2 1 288.382 2.026 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(CC)CC ZINC000902475340 634666176 /nfs/dbraw/zinc/66/61/76/634666176.db2.gz IWNUZJNMEZAXAU-KHMAMNHCSA-N 2 1 266.429 2.453 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000925722074 628592525 /nfs/dbraw/zinc/59/25/25/628592525.db2.gz JBUHEMHZAZRLGH-RRFJBIMHSA-N 2 1 266.429 2.456 20 0 CEADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902478002 634668610 /nfs/dbraw/zinc/66/86/10/634668610.db2.gz WBFAKSWVGYVHIJ-HJSHSUPBSA-N 2 1 284.407 2.367 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000902448391 634671627 /nfs/dbraw/zinc/67/16/27/634671627.db2.gz FPJHNJCSJUOMAQ-PVAVHDDUSA-N 2 1 287.451 2.410 20 0 CEADMP C([NH2+][C@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1(CC2CC2)CC1 ZINC000925733165 628688565 /nfs/dbraw/zinc/68/85/65/628688565.db2.gz GKEYKNYWCSASKE-PMPSAXMXSA-N 2 1 278.440 2.313 20 0 CEADMP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cscn1 ZINC000093678163 628692660 /nfs/dbraw/zinc/69/26/60/628692660.db2.gz YDVYGHSTQCYCGP-YHWZYXNKSA-N 2 1 265.426 2.496 20 0 CEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cscn1 ZINC000093678163 628692664 /nfs/dbraw/zinc/69/26/64/628692664.db2.gz YDVYGHSTQCYCGP-YHWZYXNKSA-N 2 1 265.426 2.496 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)[C@@H]1CCCC[NH2+]1 ZINC000902459035 634679611 /nfs/dbraw/zinc/67/96/11/634679611.db2.gz AQSAPENGVNXTKL-RDBSUJKOSA-N 2 1 254.418 2.454 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)O1)[C@@H]1CCCC[NH2+]1 ZINC000902459030 634679802 /nfs/dbraw/zinc/67/98/02/634679802.db2.gz AQSAPENGVNXTKL-MCIONIFRSA-N 2 1 254.418 2.454 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1c[nH+]ccc1N ZINC000925772702 628778398 /nfs/dbraw/zinc/77/83/98/628778398.db2.gz UCOJWFIBIGNRET-XPTSAGLGSA-N 2 1 293.317 2.157 20 0 CEADMP CC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925798649 628845806 /nfs/dbraw/zinc/84/58/06/628845806.db2.gz RLCKJQKZJZNZOC-RBSFLKMASA-N 2 1 266.429 2.313 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)[C@@H]1CCC[NH2+]1 ZINC000925805395 628855838 /nfs/dbraw/zinc/85/58/38/628855838.db2.gz ICRMWHPVVYHEQE-NOOOWODRSA-N 2 1 280.334 2.217 20 0 CEADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902465393 634683674 /nfs/dbraw/zinc/68/36/74/634683674.db2.gz FSYUNMBNODRBCW-FAAHXZRKSA-N 2 1 288.391 2.219 20 0 CEADMP CC[C@@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000925824688 628894452 /nfs/dbraw/zinc/89/44/52/628894452.db2.gz ZZZDOMVJSXXTBX-PMPSAXMXSA-N 2 1 280.387 2.153 20 0 CEADMP C[C@H]([NH2+]CCc1nc2c(s1)CCC2)[C@@H]1CCCC[NH2+]1 ZINC000925830718 628924055 /nfs/dbraw/zinc/92/40/55/628924055.db2.gz LFYITFWICXEVJM-RYUDHWBXSA-N 2 1 279.453 2.295 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)[C@@H]1CCC[NH2+]1 ZINC000925835148 628932700 /nfs/dbraw/zinc/93/27/00/628932700.db2.gz QUZYHYMUCVRNAS-WHOHXGKFSA-N 2 1 280.334 2.217 20 0 CEADMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)C(C)(C)C ZINC000925846372 628949441 /nfs/dbraw/zinc/94/94/41/628949441.db2.gz SBSWCBNNETWQTM-CQSZACIVSA-N 2 1 255.450 2.086 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000925860890 628961768 /nfs/dbraw/zinc/96/17/68/628961768.db2.gz LOVQJYUOHFRUTP-FRRDWIJNSA-N 2 1 254.443 2.392 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCC(=O)O2)C1 ZINC000821375304 634701199 /nfs/dbraw/zinc/70/11/99/634701199.db2.gz WKZZYJICEFPDDT-BZUAXINKSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCC(=O)O2)C1 ZINC000821375304 634701202 /nfs/dbraw/zinc/70/12/02/634701202.db2.gz WKZZYJICEFPDDT-BZUAXINKSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CCC(=O)O2)C1 ZINC000821375304 634701205 /nfs/dbraw/zinc/70/12/05/634701205.db2.gz WKZZYJICEFPDDT-BZUAXINKSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2CCC(=O)O2)C1 ZINC000821375304 634701208 /nfs/dbraw/zinc/70/12/08/634701208.db2.gz WKZZYJICEFPDDT-BZUAXINKSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000261778358 629189834 /nfs/dbraw/zinc/18/98/34/629189834.db2.gz MUJOVPMDEZMCAY-QGZVFWFLSA-N 2 1 298.390 2.440 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000894183265 629196038 /nfs/dbraw/zinc/19/60/38/629196038.db2.gz MEJAJHOBQMUUDH-OKILXGFUSA-N 2 1 290.455 2.430 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000894183265 629196042 /nfs/dbraw/zinc/19/60/42/629196042.db2.gz MEJAJHOBQMUUDH-OKILXGFUSA-N 2 1 290.455 2.430 20 0 CEADMP CNc1ccccc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000902527261 634715359 /nfs/dbraw/zinc/71/53/59/634715359.db2.gz HLBJWCLQDJSWDM-OAHLLOKOSA-N 2 1 291.439 2.319 20 0 CEADMP CCC[C@H](C[N@@H+](CCOC)CC1CC[NH+](C)CC1)OC ZINC000877664702 629209187 /nfs/dbraw/zinc/20/91/87/629209187.db2.gz UGBLAXPBFLBKPB-MRXNPFEDSA-N 2 1 286.460 2.092 20 0 CEADMP Cc1noc(C)c1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000925022244 629368220 /nfs/dbraw/zinc/36/82/20/629368220.db2.gz FCMUCJQTCVSCCQ-DOMZBBRYSA-N 2 1 295.427 2.179 20 0 CEADMP C[C@@H](C[NH2+]Cc1cc(O)cc(Cl)c1)C[NH+](C)C ZINC000902571395 634730541 /nfs/dbraw/zinc/73/05/41/634730541.db2.gz HUZFHPRKFWSEHB-JTQLQIEISA-N 2 1 256.777 2.333 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261956166 629391285 /nfs/dbraw/zinc/39/12/85/629391285.db2.gz OQNVKTDHUKGJLT-CQSZACIVSA-N 2 1 284.407 2.176 20 0 CEADMP Cc1ncoc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000894384947 629418413 /nfs/dbraw/zinc/41/84/13/629418413.db2.gz NNEHCAKMJRBCOR-UHFFFAOYSA-N 2 1 259.353 2.334 20 0 CEADMP Oc1cccc2c(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)cc[nH+]c12 ZINC000795082432 629431014 /nfs/dbraw/zinc/43/10/14/629431014.db2.gz YESIHJVWLDGASP-STQMWFEESA-N 2 1 299.374 2.216 20 0 CEADMP CC[N@H+](CC(=O)N1CCCCCC1)CC1CC[NH+](C)CC1 ZINC000894431843 629457538 /nfs/dbraw/zinc/45/75/38/629457538.db2.gz DNCDGAIOMPSGEL-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2CC[C@H]1CCCCO1 ZINC000880136219 629490036 /nfs/dbraw/zinc/49/00/36/629490036.db2.gz ICQUEEFQLQPJIY-RBSFLKMASA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000894566734 629536353 /nfs/dbraw/zinc/53/63/53/629536353.db2.gz NRMOISZPYZJAGF-CYBMUJFWSA-N 2 1 288.395 2.185 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000894566734 629536357 /nfs/dbraw/zinc/53/63/57/629536357.db2.gz NRMOISZPYZJAGF-CYBMUJFWSA-N 2 1 288.395 2.185 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795895844 629703964 /nfs/dbraw/zinc/70/39/64/629703964.db2.gz NGJHOCXNPYYNDM-CQSZACIVSA-N 2 1 284.444 2.240 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2COCO2)CC[N@@H+]1Cc1ccccc1 ZINC000894876254 629711228 /nfs/dbraw/zinc/71/12/28/629711228.db2.gz PHJKILCQIOUICN-OIISXLGYSA-N 2 1 290.407 2.002 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2COCO2)CC[N@H+]1Cc1ccccc1 ZINC000894876254 629711235 /nfs/dbraw/zinc/71/12/35/629711235.db2.gz PHJKILCQIOUICN-OIISXLGYSA-N 2 1 290.407 2.002 20 0 CEADMP CCc1cccc(NC(=O)CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000895038514 629808833 /nfs/dbraw/zinc/80/88/33/629808833.db2.gz RNRDIZXMCQTTMR-HIFRSBDPSA-N 2 1 289.423 2.260 20 0 CEADMP CSCC[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796308367 629841078 /nfs/dbraw/zinc/84/10/78/629841078.db2.gz BLKQGBBYXMYBGA-JTQLQIEISA-N 2 1 273.471 2.436 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](O)c2ccc(C)cc2)CC1 ZINC000797060304 630121377 /nfs/dbraw/zinc/12/13/77/630121377.db2.gz LRGUYAKOKWKYRQ-WMLDXEAASA-N 2 1 276.424 2.491 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000797116406 630136190 /nfs/dbraw/zinc/13/61/90/630136190.db2.gz ZCIAKYLISVWJMU-HNNXBMFYSA-N 2 1 282.428 2.136 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000797116406 630136191 /nfs/dbraw/zinc/13/61/91/630136191.db2.gz ZCIAKYLISVWJMU-HNNXBMFYSA-N 2 1 282.428 2.136 20 0 CEADMP COCC[N@H+](Cc1cc(C)co1)CC1CC[NH+](C)CC1 ZINC000895416928 630174746 /nfs/dbraw/zinc/17/47/46/630174746.db2.gz HOKRFXUPNLFVTD-UHFFFAOYSA-N 2 1 280.412 2.378 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000895509920 630228309 /nfs/dbraw/zinc/22/83/09/630228309.db2.gz YCAYPQIYTUEUNI-DOTOQJQBSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@@H](CN(C)C)[C@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000895509920 630228311 /nfs/dbraw/zinc/22/83/11/630228311.db2.gz YCAYPQIYTUEUNI-DOTOQJQBSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@@H](CN(C)C)[C@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000895509920 630228312 /nfs/dbraw/zinc/22/83/12/630228312.db2.gz YCAYPQIYTUEUNI-DOTOQJQBSA-N 2 1 281.488 2.380 20 0 CEADMP CCn1nccc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895555732 630247831 /nfs/dbraw/zinc/24/78/31/630247831.db2.gz BUELGTAEKHPNKR-CQSZACIVSA-N 2 1 285.395 2.009 20 0 CEADMP CCn1nccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895555732 630247832 /nfs/dbraw/zinc/24/78/32/630247832.db2.gz BUELGTAEKHPNKR-CQSZACIVSA-N 2 1 285.395 2.009 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCC[C@@H](C)C1 ZINC000895729648 630319169 /nfs/dbraw/zinc/31/91/69/630319169.db2.gz KEUPCLDPDJIYOL-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCC[C@@H](C)C1 ZINC000895729648 630319172 /nfs/dbraw/zinc/31/91/72/630319172.db2.gz KEUPCLDPDJIYOL-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CC[NH+]1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000895729648 630319173 /nfs/dbraw/zinc/31/91/73/630319173.db2.gz KEUPCLDPDJIYOL-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CC[NH+]1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000895729648 630319176 /nfs/dbraw/zinc/31/91/76/630319176.db2.gz KEUPCLDPDJIYOL-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP CCn1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(C)n1 ZINC000896001773 630431951 /nfs/dbraw/zinc/43/19/51/630431951.db2.gz GXNQAHOROWFDMU-CQSZACIVSA-N 2 1 299.422 2.317 20 0 CEADMP CCn1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(C)n1 ZINC000896001773 630431953 /nfs/dbraw/zinc/43/19/53/630431953.db2.gz GXNQAHOROWFDMU-CQSZACIVSA-N 2 1 299.422 2.317 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000896586234 630605095 /nfs/dbraw/zinc/60/50/95/630605095.db2.gz YBWAPPABQVWJFF-OAHLLOKOSA-N 2 1 292.423 2.238 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)C[NH+](C)C ZINC000896879937 630699500 /nfs/dbraw/zinc/69/95/00/630699500.db2.gz IYYAURLANUOKCE-MJBXVCDLSA-N 2 1 288.501 2.463 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000798181967 630830111 /nfs/dbraw/zinc/83/01/11/630830111.db2.gz CVVUTHUDKGJIPH-LBPRGKRZSA-N 2 1 274.368 2.423 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000799175059 630991474 /nfs/dbraw/zinc/99/14/74/630991474.db2.gz RRORLNORVYKQKV-QGZVFWFLSA-N 2 1 276.424 2.446 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000799175059 630991475 /nfs/dbraw/zinc/99/14/75/630991475.db2.gz RRORLNORVYKQKV-QGZVFWFLSA-N 2 1 276.424 2.446 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904301156 635553942 /nfs/dbraw/zinc/55/39/42/635553942.db2.gz HXRADQQJXZYYCA-DOMZBBRYSA-N 2 1 260.381 2.181 20 0 CEADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000909601732 631099255 /nfs/dbraw/zinc/09/92/55/631099255.db2.gz QULPNNQPZINKGG-OAHLLOKOSA-N 2 1 289.423 2.337 20 0 CEADMP CC1(C)CCC[N@@H+]1CC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000825332475 635618915 /nfs/dbraw/zinc/61/89/15/635618915.db2.gz YFZCJHKYNJVCGU-UHFFFAOYSA-N 2 1 296.455 2.384 20 0 CEADMP CC1(C)CCC[N@H+]1CC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000825332475 635618917 /nfs/dbraw/zinc/61/89/17/635618917.db2.gz YFZCJHKYNJVCGU-UHFFFAOYSA-N 2 1 296.455 2.384 20 0 CEADMP CCc1nc(N(C)CC(C)(C)C[NH+](C)C)cc(C)[nH+]1 ZINC000897419766 631338044 /nfs/dbraw/zinc/33/80/44/631338044.db2.gz RLQNEQXNOKBOTF-UHFFFAOYSA-N 2 1 264.417 2.371 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCCC[C@@H]1CCO ZINC000342071322 631502442 /nfs/dbraw/zinc/50/24/42/631502442.db2.gz XGDVIRATZXUFRU-HUUCEWRRSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCCC[C@@H]1CCO ZINC000342071322 631502449 /nfs/dbraw/zinc/50/24/49/631502449.db2.gz XGDVIRATZXUFRU-HUUCEWRRSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCCC[C@@H]1CCO ZINC000342071322 631502453 /nfs/dbraw/zinc/50/24/53/631502453.db2.gz XGDVIRATZXUFRU-HUUCEWRRSA-N 2 1 254.418 2.098 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C(=O)[C@@H]3CCC[C@@H]32)CC1 ZINC000840002722 631568588 /nfs/dbraw/zinc/56/85/88/631568588.db2.gz JGMFPQDNGYGJOJ-CVEARBPZSA-N 2 1 293.455 2.007 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000904448676 635641003 /nfs/dbraw/zinc/64/10/03/635641003.db2.gz BUVOGRLTRHBEEM-UHFFFAOYSA-N 2 1 274.286 2.209 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000897508998 631599519 /nfs/dbraw/zinc/59/95/19/631599519.db2.gz TWKIMUIRYDWNBO-ZBFHGGJFSA-N 2 1 275.396 2.195 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCC[C@@H]1CCCC[NH+]1C ZINC000785729273 631728362 /nfs/dbraw/zinc/72/83/62/631728362.db2.gz DXGTXUACUVNDNC-ZNMIVQPWSA-N 2 1 282.428 2.277 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000785729273 631728366 /nfs/dbraw/zinc/72/83/66/631728366.db2.gz DXGTXUACUVNDNC-ZNMIVQPWSA-N 2 1 282.428 2.277 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000785729273 631728372 /nfs/dbraw/zinc/72/83/72/631728372.db2.gz DXGTXUACUVNDNC-ZNMIVQPWSA-N 2 1 282.428 2.277 20 0 CEADMP Cc1ccsc1C[N@@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000897621583 631825118 /nfs/dbraw/zinc/82/51/18/631825118.db2.gz JJKKUMKJSPXXHP-OCCSQVGLSA-N 2 1 250.411 2.440 20 0 CEADMP Cc1ccsc1C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000897621583 631825145 /nfs/dbraw/zinc/82/51/45/631825145.db2.gz JJKKUMKJSPXXHP-OCCSQVGLSA-N 2 1 250.411 2.440 20 0 CEADMP Cc1ccsc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000897621583 631825155 /nfs/dbraw/zinc/82/51/55/631825155.db2.gz JJKKUMKJSPXXHP-OCCSQVGLSA-N 2 1 250.411 2.440 20 0 CEADMP C[C@@H]1CC2(CC([NH2+]Cc3ncc(C[NH+](C)C)s3)C2)CO1 ZINC000897776711 631905050 /nfs/dbraw/zinc/90/50/50/631905050.db2.gz VHSQQVDOIIWXGP-XIKARTHZSA-N 2 1 295.452 2.252 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000897806433 631924388 /nfs/dbraw/zinc/92/43/88/631924388.db2.gz UNGMURWTENZBIL-KGLIPLIRSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897806433 631924392 /nfs/dbraw/zinc/92/43/92/631924392.db2.gz UNGMURWTENZBIL-KGLIPLIRSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897806433 631924396 /nfs/dbraw/zinc/92/43/96/631924396.db2.gz UNGMURWTENZBIL-KGLIPLIRSA-N 2 1 283.460 2.096 20 0 CEADMP CCCCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)(C)C ZINC000808693608 632002160 /nfs/dbraw/zinc/00/21/60/632002160.db2.gz JXCAHQXBCPOKRZ-KGLIPLIRSA-N 2 1 258.450 2.494 20 0 CEADMP C1=CO[C@@H](C[NH+]2CCC([NH2+]C3CCC3)CC2)CC1 ZINC000897981623 632004588 /nfs/dbraw/zinc/00/45/88/632004588.db2.gz OXWVMIFQYPMLRT-OAHLLOKOSA-N 2 1 250.386 2.286 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CCO)cc2)[C@H](C)C1 ZINC000898170525 632079030 /nfs/dbraw/zinc/07/90/30/632079030.db2.gz HPILROQIVHYQLH-RHSMWYFYSA-N 2 1 276.424 2.041 20 0 CEADMP CO[C@H](C)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809717905 632132374 /nfs/dbraw/zinc/13/23/74/632132374.db2.gz OFSCBEQQTCCCPI-CYBMUJFWSA-N 2 1 250.386 2.215 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccoc1 ZINC000809738209 632135214 /nfs/dbraw/zinc/13/52/14/632135214.db2.gz UAGFXZYDFREOGO-INIZCTEOSA-N 2 1 279.428 2.128 20 0 CEADMP CCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCC1 ZINC000322460826 632208917 /nfs/dbraw/zinc/20/89/17/632208917.db2.gz LIBCHAQIILQNIC-PMPSAXMXSA-N 2 1 266.429 2.408 20 0 CEADMP CCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCC1 ZINC000322460826 632208922 /nfs/dbraw/zinc/20/89/22/632208922.db2.gz LIBCHAQIILQNIC-PMPSAXMXSA-N 2 1 266.429 2.408 20 0 CEADMP CCCC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC000989738525 632234243 /nfs/dbraw/zinc/23/42/43/632234243.db2.gz DOQSXLKXCNCZEH-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000989738525 632234244 /nfs/dbraw/zinc/23/42/44/632234244.db2.gz DOQSXLKXCNCZEH-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000989738525 632234247 /nfs/dbraw/zinc/23/42/47/632234247.db2.gz DOQSXLKXCNCZEH-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CON1CCC([NH2+]CCC[N@@H+](C)C2CCCCC2)CC1 ZINC000323049425 632272658 /nfs/dbraw/zinc/27/26/58/632272658.db2.gz GIAFFPSMFKOIKJ-UHFFFAOYSA-N 2 1 283.460 2.256 20 0 CEADMP CCON1CCC([NH2+]CC2([NH+](C)C)CCCCC2)CC1 ZINC000323139282 632286582 /nfs/dbraw/zinc/28/65/82/632286582.db2.gz WXAWHFKQBMFVAM-UHFFFAOYSA-N 2 1 283.460 2.256 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)C[NH+](C)C ZINC000926957341 632384720 /nfs/dbraw/zinc/38/47/20/632384720.db2.gz AAWRDCCKIGSMSZ-ILXRZTDVSA-N 2 1 254.418 2.121 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCCF)C[NH+](C)C ZINC000926962060 632390136 /nfs/dbraw/zinc/39/01/36/632390136.db2.gz QKYZFUDEXVNPFL-RBSFLKMASA-N 2 1 274.424 2.461 20 0 CEADMP CCO[C@@H](C[NH2+][C@H](C)C1CCSCC1)C[NH+](C)C ZINC000926964537 632392561 /nfs/dbraw/zinc/39/25/61/632392561.db2.gz XSDOUISDBSDJGD-OCCSQVGLSA-N 2 1 274.474 2.074 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CC[C@H]1C(C)(C)C)C[NH+](C)C ZINC000926964634 632394194 /nfs/dbraw/zinc/39/41/94/632394194.db2.gz YCXGDHZRLAAUME-MCIONIFRSA-N 2 1 256.434 2.367 20 0 CEADMP COCC[N@@H+](C)CCCN[C@H](C)c1cccc2c1OCO2 ZINC000924653817 632395847 /nfs/dbraw/zinc/39/58/47/632395847.db2.gz NSTXGSRZCNFFQC-CYBMUJFWSA-N 2 1 294.395 2.034 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc2c1OCO2 ZINC000924653817 632395860 /nfs/dbraw/zinc/39/58/60/632395860.db2.gz NSTXGSRZCNFFQC-CYBMUJFWSA-N 2 1 294.395 2.034 20 0 CEADMP COCCN(C)CCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000924654645 632396602 /nfs/dbraw/zinc/39/66/02/632396602.db2.gz DSPYCYDNAOFKOB-KRWDZBQOSA-N 2 1 291.439 2.481 20 0 CEADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000924696998 632430743 /nfs/dbraw/zinc/43/07/43/632430743.db2.gz XUVYIVFDLPIKEH-KBMXLJTQSA-N 2 1 295.471 2.144 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCOC23CCCCC3)C1 ZINC000924706129 632441277 /nfs/dbraw/zinc/44/12/77/632441277.db2.gz OJWJIXUSOPAOMX-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc(O)c(F)c2)CC1 ZINC000153372837 632458300 /nfs/dbraw/zinc/45/83/00/632458300.db2.gz LULYYZUVNXPUSV-UHFFFAOYSA-N 2 1 266.360 2.495 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000898786711 632597493 /nfs/dbraw/zinc/59/74/93/632597493.db2.gz ONLKMOHQFNRBLQ-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1ccccc1C(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000815148655 632972817 /nfs/dbraw/zinc/97/28/17/632972817.db2.gz CVVXJUFBCQSHCI-OAHLLOKOSA-N 2 1 276.424 2.276 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000817889124 633753430 /nfs/dbraw/zinc/75/34/30/633753430.db2.gz MOJCXBSUXLZDBE-MLGOLLRUSA-N 2 1 271.364 2.187 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)c1ccccc1C)[C@@H]1CCC[NH2+]1 ZINC000817890568 633753447 /nfs/dbraw/zinc/75/34/47/633753447.db2.gz UJKNLNLRKOJRHT-PMPSAXMXSA-N 2 1 262.397 2.149 20 0 CEADMP CC(C)(C)c1ccc([C@H](O)C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000817894898 633757347 /nfs/dbraw/zinc/75/73/47/633757347.db2.gz SEWPGHWKBSOASL-OWCLPIDISA-N 2 1 276.424 2.487 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000817898675 633759492 /nfs/dbraw/zinc/75/94/92/633759492.db2.gz KBEMFVKZQPLZTE-GJZGRUSLSA-N 2 1 285.395 2.017 20 0 CEADMP Cc1cccc(F)c1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817898006 633759526 /nfs/dbraw/zinc/75/95/26/633759526.db2.gz YQQZGJDYFRHXIF-BHYGNILZSA-N 2 1 292.398 2.381 20 0 CEADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000817911985 633769532 /nfs/dbraw/zinc/76/95/32/633769532.db2.gz DAGDVWPEPOHVKM-LTIDMASMSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000817911985 633769536 /nfs/dbraw/zinc/76/95/36/633769536.db2.gz DAGDVWPEPOHVKM-LTIDMASMSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000817911988 633769687 /nfs/dbraw/zinc/76/96/87/633769687.db2.gz DAGDVWPEPOHVKM-YYIAUSFCSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000817911988 633769692 /nfs/dbraw/zinc/76/96/92/633769692.db2.gz DAGDVWPEPOHVKM-YYIAUSFCSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[N@H+]1CCC[C@@H]1C ZINC000817912972 633770717 /nfs/dbraw/zinc/77/07/17/633770717.db2.gz LDGWORGNZMYZHN-PMPSAXMXSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1c[nH+]ccc1N ZINC000817913342 633772315 /nfs/dbraw/zinc/77/23/15/633772315.db2.gz NXTYDDLNQUVINJ-LRDDRELGSA-N 2 1 271.364 2.052 20 0 CEADMP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccccc1Cl ZINC000817923248 633780100 /nfs/dbraw/zinc/78/01/00/633780100.db2.gz VDVIDOVKFAQYJQ-MCIONIFRSA-N 2 1 268.788 2.017 20 0 CEADMP C[C@]1(CN[C@@H]2CCC[C@@H]2[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000817927576 633782290 /nfs/dbraw/zinc/78/22/90/633782290.db2.gz HZMCQNOXWBOGRC-RCCFBDPRSA-N 2 1 287.451 2.368 20 0 CEADMP C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1c[nH+]ccc1N ZINC000817928759 633783767 /nfs/dbraw/zinc/78/37/67/633783767.db2.gz AIPQSQATYXCQIU-DZGCQCFKSA-N 2 1 285.391 2.138 20 0 CEADMP COCc1cc([C@H](C)[NH2+]CC(C)(C)[NH3+])ccc1OC ZINC000817959910 633802436 /nfs/dbraw/zinc/80/24/36/633802436.db2.gz HCTHEYSACXEPIW-NSHDSACASA-N 2 1 266.385 2.230 20 0 CEADMP O=C(Nc1ccc2nccn2c1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900673027 633802545 /nfs/dbraw/zinc/80/25/45/633802545.db2.gz WDSHLRZKBBEEQL-KGLIPLIRSA-N 2 1 284.363 2.290 20 0 CEADMP COCc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)ccc1OC ZINC000817960059 633803473 /nfs/dbraw/zinc/80/34/73/633803473.db2.gz WUERGJYIOJSEJJ-IUODEOHRSA-N 2 1 280.412 2.476 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccnc(Cl)c1 ZINC000817970702 633813757 /nfs/dbraw/zinc/81/37/57/633813757.db2.gz CMNVWTLFBQBADZ-NHCYSSNCSA-N 2 1 253.777 2.384 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817979991 633823953 /nfs/dbraw/zinc/82/39/53/633823953.db2.gz QVHCTYQGKLPRIK-UPJWGTAASA-N 2 1 291.395 2.420 20 0 CEADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[N@@H+](C)C1CCC1 ZINC000900954969 633906316 /nfs/dbraw/zinc/90/63/16/633906316.db2.gz KTISNFFQFCDJMW-UHFFFAOYSA-N 2 1 289.423 2.479 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000818966585 634019396 /nfs/dbraw/zinc/01/93/96/634019396.db2.gz SSJBFTXCIMONOT-XJKSGUPXSA-N 2 1 273.380 2.151 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cc2C)C1 ZINC000818981131 634027965 /nfs/dbraw/zinc/02/79/65/634027965.db2.gz RCSBVTSSDPVXEE-YOEHRIQHSA-N 2 1 294.414 2.489 20 0 CEADMP Cc1ccccc1-c1cc(C[N@H+](C)CCC[NH3+])on1 ZINC000901388959 634086153 /nfs/dbraw/zinc/08/61/53/634086153.db2.gz ZVBNGQLSRPKJPZ-UHFFFAOYSA-N 2 1 259.353 2.431 20 0 CEADMP Cc1ccccc1-c1cc(C[N@@H+](C)CCC[NH3+])on1 ZINC000901388959 634086158 /nfs/dbraw/zinc/08/61/58/634086158.db2.gz ZVBNGQLSRPKJPZ-UHFFFAOYSA-N 2 1 259.353 2.431 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)C1=CC[N@@H+](C)CC1 ZINC000819219435 634107799 /nfs/dbraw/zinc/10/77/99/634107799.db2.gz DOVKWYBPNUPHLV-LRDDRELGSA-N 2 1 278.371 2.099 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)C1=CC[N@@H+](C)CC1 ZINC000819219729 634108160 /nfs/dbraw/zinc/10/81/60/634108160.db2.gz GMMCPNWGYBHBQH-XHDPSFHLSA-N 2 1 296.361 2.238 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000819366729 634156982 /nfs/dbraw/zinc/15/69/82/634156982.db2.gz UCMZMBAFFMWSEK-RDJZCZTQSA-N 2 1 276.424 2.350 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2cn(C)nn2)c1 ZINC000902793966 634836886 /nfs/dbraw/zinc/83/68/86/634836886.db2.gz PGRAQCNBKDZHEP-ZDUSSCGKSA-N 2 1 287.411 2.118 20 0 CEADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cn(C)nn2)c1 ZINC000902793966 634836890 /nfs/dbraw/zinc/83/68/90/634836890.db2.gz PGRAQCNBKDZHEP-ZDUSSCGKSA-N 2 1 287.411 2.118 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cn(C)nn2)c1 ZINC000902793966 634836895 /nfs/dbraw/zinc/83/68/95/634836895.db2.gz PGRAQCNBKDZHEP-ZDUSSCGKSA-N 2 1 287.411 2.118 20 0 CEADMP Cc1cc(C)c(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000822016854 634837192 /nfs/dbraw/zinc/83/71/92/634837192.db2.gz FIMNTLICTBEVJX-OAHLLOKOSA-N 2 1 275.396 2.187 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000903018027 634927376 /nfs/dbraw/zinc/92/73/76/634927376.db2.gz VUGRGJWHLOFRDS-VCCANDMLSA-N 2 1 278.440 2.121 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000251742638 634981547 /nfs/dbraw/zinc/98/15/47/634981547.db2.gz UAEWRLLATLQKPM-KBXIAJHMSA-N 2 1 252.402 2.160 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000251742638 634981550 /nfs/dbraw/zinc/98/15/50/634981550.db2.gz UAEWRLLATLQKPM-KBXIAJHMSA-N 2 1 252.402 2.160 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(-c2noc([C@H](C)[C@@H](C)[NH3+])n2)cn1 ZINC000822784903 634995420 /nfs/dbraw/zinc/99/54/20/634995420.db2.gz IKRMUWXIJPVNJZ-NXEZZACHSA-N 2 1 298.350 2.076 20 0 CEADMP C(C[C@H]1CCOC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903149000 634996677 /nfs/dbraw/zinc/99/66/77/634996677.db2.gz ZAGDONAFYMAXTM-WYQXTGKHSA-N 2 1 264.413 2.160 20 0 CEADMP C/C=C\C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903151948 634997298 /nfs/dbraw/zinc/99/72/98/634997298.db2.gz KTLXNOGYYQVYME-CNHLDZQSSA-N 2 1 264.413 2.061 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2CCCO)CC1 ZINC000924788383 634998756 /nfs/dbraw/zinc/99/87/56/634998756.db2.gz MSAWYMIDUMEEGZ-WBVHZDCISA-N 2 1 298.471 2.018 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)[C@H](C)C1 ZINC000903181440 635001293 /nfs/dbraw/zinc/00/12/93/635001293.db2.gz PZFJLIFWHZCXCN-MROQNXINSA-N 2 1 294.361 2.416 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903207878 635016364 /nfs/dbraw/zinc/01/63/64/635016364.db2.gz WBURCDZOUAIEIK-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000903321325 635054588 /nfs/dbraw/zinc/05/45/88/635054588.db2.gz CBHYOHXNLWDJKK-NXHRZFHOSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000903321325 635054596 /nfs/dbraw/zinc/05/45/96/635054596.db2.gz CBHYOHXNLWDJKK-NXHRZFHOSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000903321333 635055185 /nfs/dbraw/zinc/05/51/85/635055185.db2.gz CCYXZOODDIGWPE-JQHSSLGASA-N 2 1 287.451 2.191 20 0 CEADMP COCCC[C@@H](C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903382299 635094840 /nfs/dbraw/zinc/09/48/40/635094840.db2.gz DNCWBTBBBOHMBS-GDBMZVCRSA-N 2 1 279.428 2.479 20 0 CEADMP CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C[C@@H]1COc2ccccc2O1 ZINC000903425930 635112295 /nfs/dbraw/zinc/11/22/95/635112295.db2.gz AWABFBURLIJSOA-QLFBSQMISA-N 2 1 290.407 2.004 20 0 CEADMP CC[N@@H+](CCc1cccs1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903431278 635114677 /nfs/dbraw/zinc/11/46/77/635114677.db2.gz QFUCDEJWWCSMJQ-OLZOCXBDSA-N 2 1 252.427 2.468 20 0 CEADMP C1CC1[C@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903436340 635117169 /nfs/dbraw/zinc/11/71/69/635117169.db2.gz IRHOKURJHMDXMV-DAQHESOFSA-N 2 1 276.424 2.159 20 0 CEADMP CCC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000903439499 635118847 /nfs/dbraw/zinc/11/88/47/635118847.db2.gz INEHQPAQJXXSAN-YIDVYQOGSA-N 2 1 280.456 2.367 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903424908 635123965 /nfs/dbraw/zinc/12/39/65/635123965.db2.gz LAGFHXHTYVCVLW-NWBUJAPZSA-N 2 1 258.356 2.337 20 0 CEADMP CCc1ccc(C[NH+]2CCN(C[C@H]3CCC[NH2+]3)CC2)s1 ZINC000903442641 635129204 /nfs/dbraw/zinc/12/92/04/635129204.db2.gz VUUZXZYFJLXBEP-CQSZACIVSA-N 2 1 293.480 2.180 20 0 CEADMP CCOC(=O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454972 635137794 /nfs/dbraw/zinc/13/77/94/635137794.db2.gz PFGQDBIWUWKOFD-CVEARBPZSA-N 2 1 290.407 2.179 20 0 CEADMP CCOC(=O)C[N@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454972 635137796 /nfs/dbraw/zinc/13/77/96/635137796.db2.gz PFGQDBIWUWKOFD-CVEARBPZSA-N 2 1 290.407 2.179 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000903476052 635144928 /nfs/dbraw/zinc/14/49/28/635144928.db2.gz MDEPBKGLFWZTKU-YCPHGPKFSA-N 2 1 266.429 2.266 20 0 CEADMP FC(F)(F)[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)O1 ZINC000903482140 635150248 /nfs/dbraw/zinc/15/02/48/635150248.db2.gz YJDLQGYLZUYODA-TUAOUCFPSA-N 2 1 292.345 2.361 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903466448 635153038 /nfs/dbraw/zinc/15/30/38/635153038.db2.gz SZZNUFDTVBKWHF-HNNXBMFYSA-N 2 1 260.381 2.112 20 0 CEADMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)nc1Cl ZINC000903499448 635154448 /nfs/dbraw/zinc/15/44/48/635154448.db2.gz VTCBSFSLQLPXDY-VXGBXAGGSA-N 2 1 267.804 2.460 20 0 CEADMP FC1(F)C[C@]2(CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)C1(F)F ZINC000903491012 635156238 /nfs/dbraw/zinc/15/62/38/635156238.db2.gz QWRAZQQGDXVZHO-QWRGUYRKSA-N 2 1 280.309 2.352 20 0 CEADMP Cc1ccc(C)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903495073 635157774 /nfs/dbraw/zinc/15/77/74/635157774.db2.gz TXLWISPJFVWCKN-HUUCEWRRSA-N 2 1 289.423 2.159 20 0 CEADMP C[C@@]1([C@H]2CCC[N@@H+](CCCCCCC[NH3+])C2)COC(=O)N1 ZINC000903560892 635162969 /nfs/dbraw/zinc/16/29/69/635162969.db2.gz CXEUNJWSQBDVSO-HOCLYGCPSA-N 2 1 297.443 2.106 20 0 CEADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903565041 635164453 /nfs/dbraw/zinc/16/44/53/635164453.db2.gz CZGXEMLUJQUVAJ-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000903575238 635169452 /nfs/dbraw/zinc/16/94/52/635169452.db2.gz KCLXGSMEUIMYCO-OAHLLOKOSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)c1nnc2n1CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]2C ZINC000903577556 635169971 /nfs/dbraw/zinc/16/99/71/635169971.db2.gz NYDSELMPQDMELW-ZIAGYGMSSA-N 2 1 291.443 2.168 20 0 CEADMP CC(C)c1nnc2n1CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]2C ZINC000903577556 635169976 /nfs/dbraw/zinc/16/99/76/635169976.db2.gz NYDSELMPQDMELW-ZIAGYGMSSA-N 2 1 291.443 2.168 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1c1ccccc1 ZINC000903707735 635229484 /nfs/dbraw/zinc/22/94/84/635229484.db2.gz DQLHFDRDGOXDSU-OAHLLOKOSA-N 2 1 273.424 2.197 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718699 635233474 /nfs/dbraw/zinc/23/34/74/635233474.db2.gz QTLNWVXBSHRJFF-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729203 635240311 /nfs/dbraw/zinc/24/03/11/635240311.db2.gz KSIJFDXCWFBWCD-XOKHGSTOSA-N 2 1 290.407 2.154 20 0 CEADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC2(CCCC2)C1 ZINC000903729623 635240731 /nfs/dbraw/zinc/24/07/31/635240731.db2.gz PNASMFZCSOJUCQ-HNNXBMFYSA-N 2 1 278.440 2.411 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903747078 635246490 /nfs/dbraw/zinc/24/64/90/635246490.db2.gz OZKMGXHAYZXIGP-IJLUTSLNSA-N 2 1 280.334 2.157 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903747078 635246493 /nfs/dbraw/zinc/24/64/93/635246493.db2.gz OZKMGXHAYZXIGP-IJLUTSLNSA-N 2 1 280.334 2.157 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903752413 635249451 /nfs/dbraw/zinc/24/94/51/635249451.db2.gz NTATYIXGHNMJMT-OUAUKWLOSA-N 2 1 282.350 2.449 20 0 CEADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000903733447 635249986 /nfs/dbraw/zinc/24/99/86/635249986.db2.gz KKNBFTXDLRQEEB-WCVJEAGWSA-N 2 1 296.480 2.115 20 0 CEADMP FCC[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903765849 635258305 /nfs/dbraw/zinc/25/83/05/635258305.db2.gz LDCRCOACTSQFMP-HUUCEWRRSA-N 2 1 284.419 2.217 20 0 CEADMP CC1CC(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000903769560 635259406 /nfs/dbraw/zinc/25/94/06/635259406.db2.gz JFTBXAPWXZCZIA-HCWSGVFWSA-N 2 1 264.335 2.492 20 0 CEADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903757039 635260589 /nfs/dbraw/zinc/26/05/89/635260589.db2.gz AXACIFIGVDDASJ-KFWWJZLASA-N 2 1 266.429 2.408 20 0 CEADMP Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903758154 635261866 /nfs/dbraw/zinc/26/18/66/635261866.db2.gz IVSINFZLKQJQFR-GOEBONIOSA-N 2 1 276.428 2.337 20 0 CEADMP Cn1nccc1[C@H]1CCCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903758154 635261869 /nfs/dbraw/zinc/26/18/69/635261869.db2.gz IVSINFZLKQJQFR-GOEBONIOSA-N 2 1 276.428 2.337 20 0 CEADMP CCCOC(=O)[C@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790894 635262550 /nfs/dbraw/zinc/26/25/50/635262550.db2.gz FYJXTUIAIUQFMY-LBPRGKRZSA-N 2 1 270.417 2.025 20 0 CEADMP C[C@]1(C(F)(F)F)CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903781556 635267469 /nfs/dbraw/zinc/26/74/69/635267469.db2.gz UCEKMAQKJYGOCI-FRRDWIJNSA-N 2 1 292.345 2.029 20 0 CEADMP CC(C)(C)OC[C@H]1CCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903785890 635269669 /nfs/dbraw/zinc/26/96/69/635269669.db2.gz AOTSSGULSUIHQK-VYDXJSESSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1C[C@H](C)CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903786855 635269839 /nfs/dbraw/zinc/26/98/39/635269839.db2.gz PIQKDEDZGOMRAW-WCVJEAGWSA-N 2 1 266.429 2.123 20 0 CEADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000903789021 635271142 /nfs/dbraw/zinc/27/11/42/635271142.db2.gz STERWJQJJCCFKM-XDNAFOTISA-N 2 1 290.451 2.266 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2C[C@@H](O)CC1CCCC1 ZINC000903804258 635280549 /nfs/dbraw/zinc/28/05/49/635280549.db2.gz CWUVFECLQNFWHB-OWCLPIDISA-N 2 1 266.429 2.131 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2C[C@@H](O)CC1CCCC1 ZINC000903804258 635280554 /nfs/dbraw/zinc/28/05/54/635280554.db2.gz CWUVFECLQNFWHB-OWCLPIDISA-N 2 1 266.429 2.131 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000903811581 635286183 /nfs/dbraw/zinc/28/61/83/635286183.db2.gz NLPDHOIPQJFEDR-HOTGVXAUSA-N 3 1 279.472 2.360 20 0 CEADMP NCC1([C@@H]2CCCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000903811581 635286189 /nfs/dbraw/zinc/28/61/89/635286189.db2.gz NLPDHOIPQJFEDR-HOTGVXAUSA-N 2 1 279.472 2.360 20 0 CEADMP NCC1([C@@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000903811581 635286192 /nfs/dbraw/zinc/28/61/92/635286192.db2.gz NLPDHOIPQJFEDR-HOTGVXAUSA-N 2 1 279.472 2.360 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC000903826307 635293411 /nfs/dbraw/zinc/29/34/11/635293411.db2.gz HTOPUUJCKDHDHV-AWEZNQCLSA-N 2 1 266.360 2.278 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCN(c2ccccc2)[C@@H](C)C1 ZINC000903832412 635296708 /nfs/dbraw/zinc/29/67/08/635296708.db2.gz REBATVDGAGACID-PMPSAXMXSA-N 2 1 273.424 2.053 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc3c(c1)COC3)C2 ZINC000903842801 635301743 /nfs/dbraw/zinc/30/17/43/635301743.db2.gz VFAUHGLIQOOTPZ-RCBQFDQVSA-N 2 1 258.365 2.028 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2Cc1ccc2c(c1)CCC2 ZINC000903857626 635309681 /nfs/dbraw/zinc/30/96/81/635309681.db2.gz VWWVDOFLEKMJFQ-IAGOWNOFSA-N 2 1 256.393 2.489 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2Cc1ccc2c(c1)CCC2 ZINC000903857626 635309688 /nfs/dbraw/zinc/30/96/88/635309688.db2.gz VWWVDOFLEKMJFQ-IAGOWNOFSA-N 2 1 256.393 2.489 20 0 CEADMP C([C@@H]1CCOC1)[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903879866 635325349 /nfs/dbraw/zinc/32/53/49/635325349.db2.gz KZJXEAQHEJMGCB-AVOUXACISA-N 2 1 264.413 2.018 20 0 CEADMP CC(C)CO[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903898956 635334893 /nfs/dbraw/zinc/33/48/93/635334893.db2.gz PWKDOGAQINHPPH-WTXIUTQJSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1n1ccnc1 ZINC000903900142 635335690 /nfs/dbraw/zinc/33/56/90/635335690.db2.gz ZOZGZUWQVIBESK-AKBNIOSXSA-N 2 1 288.439 2.297 20 0 CEADMP Cc1c[nH+]ccc1OC1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903909997 635345030 /nfs/dbraw/zinc/34/50/30/635345030.db2.gz ZKKKBBUZIFKJFR-GFCCVEGCSA-N 2 1 299.365 2.216 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1ccc(Cn2cccn2)cc1)CC(F)F ZINC000903920349 635348769 /nfs/dbraw/zinc/34/87/69/635348769.db2.gz TXBUCQWMCOIUOF-CQSZACIVSA-N 2 1 294.349 2.004 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903924982 635353221 /nfs/dbraw/zinc/35/32/21/635353221.db2.gz AQDYTWPOAANTRX-UHFFFAOYSA-N 3 1 275.440 2.154 20 0 CEADMP CC(C)([NH3+])CC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000903938912 635356481 /nfs/dbraw/zinc/35/64/81/635356481.db2.gz QADRHOMPGRQKBR-UHFFFAOYSA-N 2 1 266.776 2.205 20 0 CEADMP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CC(C)(C)C1 ZINC000903930244 635357305 /nfs/dbraw/zinc/35/73/05/635357305.db2.gz VSPQIATYLSUHAI-CYBMUJFWSA-N 2 1 291.443 2.213 20 0 CEADMP [NH3+][C@@H](C[NH2+]CC[C@@H]1CCc2ccccc2N1)CC(F)F ZINC000903933076 635358630 /nfs/dbraw/zinc/35/86/30/635358630.db2.gz YGSIMMNCXXKSKX-OLZOCXBDSA-N 2 1 283.366 2.376 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903939090 635363833 /nfs/dbraw/zinc/36/38/33/635363833.db2.gz DALIVUILOJVCLM-PSEXLTFBSA-N 2 1 292.345 2.170 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C(C)(C)C ZINC000903970355 635390251 /nfs/dbraw/zinc/39/02/51/635390251.db2.gz VWZSRDSZXRRVHP-KGLIPLIRSA-N 2 1 268.445 2.417 20 0 CEADMP C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904315368 635561351 /nfs/dbraw/zinc/56/13/51/635561351.db2.gz AQQRWFQQZIUYDD-VDERGJSUSA-N 2 1 260.381 2.186 20 0 CEADMP C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904315367 635562320 /nfs/dbraw/zinc/56/23/20/635562320.db2.gz AQQRWFQQZIUYDD-UGQVUOCMSA-N 2 1 260.381 2.186 20 0 CEADMP C[C@@]1(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)CCC[NH2+]C1 ZINC000904326498 635571693 /nfs/dbraw/zinc/57/16/93/635571693.db2.gz KUVYVLLLXSFJKQ-QWHCGFSZSA-N 2 1 294.361 2.011 20 0 CEADMP Cn1cc(C[C@H]2CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C2)cn1 ZINC000904326725 635573898 /nfs/dbraw/zinc/57/38/98/635573898.db2.gz RFHHCANSBIXCCA-ZBFHGGJFSA-N 2 1 292.471 2.438 20 0 CEADMP Cn1cc(C[C@H]2CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C2)cn1 ZINC000904326725 635573901 /nfs/dbraw/zinc/57/39/01/635573901.db2.gz RFHHCANSBIXCCA-ZBFHGGJFSA-N 2 1 292.471 2.438 20 0 CEADMP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904328421 635574589 /nfs/dbraw/zinc/57/45/89/635574589.db2.gz DVNWPHZHDFJPCI-YOEHRIQHSA-N 2 1 296.455 2.287 20 0 CEADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C[C@@H]([NH3+])CCC(C)(C)C ZINC000904346177 635581684 /nfs/dbraw/zinc/58/16/84/635581684.db2.gz PWZNRMVUDTUNKP-MCIONIFRSA-N 2 1 255.450 2.164 20 0 CEADMP CCc1ccc([C@@H]2C[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)CCO2)cc1 ZINC000904345149 635581994 /nfs/dbraw/zinc/58/19/94/635581994.db2.gz DKJXCRQHPILZHK-UAGQMJEPSA-N 2 1 274.408 2.360 20 0 CEADMP c1cn(C2CC2)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000904350064 635583931 /nfs/dbraw/zinc/58/39/31/635583931.db2.gz GTMOUCLEODCJEA-KGLIPLIRSA-N 2 1 274.412 2.040 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@@H](c3cccnc3)C2)CCC[NH2+]C1 ZINC000904373092 635593896 /nfs/dbraw/zinc/59/38/96/635593896.db2.gz ATOQKACGKAFFPO-CVEARBPZSA-N 2 1 259.397 2.261 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(CC[NH3+])CC1 ZINC000904376960 635602150 /nfs/dbraw/zinc/60/21/50/635602150.db2.gz ZHFAKTFIIRQBBU-CQSZACIVSA-N 3 1 255.450 2.201 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904384874 635607325 /nfs/dbraw/zinc/60/73/25/635607325.db2.gz OPFSDUPUNWDXSF-GOEBONIOSA-N 2 1 282.428 2.041 20 0 CEADMP CC(C)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)CC1CC[NH+](C)CC1 ZINC000904385544 635608702 /nfs/dbraw/zinc/60/87/02/635608702.db2.gz YIKWOJDAUIIPNP-IYBDPMFKSA-N 3 1 267.461 2.024 20 0 CEADMP CCn1c2ccccc2nc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405137 635612283 /nfs/dbraw/zinc/61/22/83/635612283.db2.gz FIVFAOHEESZSOV-ZDUSSCGKSA-N 2 1 272.396 2.227 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cnc1Cl ZINC000904406394 635613962 /nfs/dbraw/zinc/61/39/62/635613962.db2.gz SCCJNINULUDXSI-LLVKDONJSA-N 2 1 253.777 2.214 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2scnc2C2CC2)CC[C@H]1C[NH3+] ZINC000904409815 635615523 /nfs/dbraw/zinc/61/55/23/635615523.db2.gz JAXUUYKYHAYVBP-PWSUYJOCSA-N 2 1 265.426 2.437 20 0 CEADMP COCCOc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904410146 635616543 /nfs/dbraw/zinc/61/65/43/635616543.db2.gz BKPIYOKQQAGGKN-GOEBONIOSA-N 2 1 292.423 2.129 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)ccc1C ZINC000904410258 635616625 /nfs/dbraw/zinc/61/66/25/635616625.db2.gz NIQALCFOEGLSNX-UKRRQHHQSA-N 2 1 262.397 2.420 20 0 CEADMP COCCOc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904410147 635616852 /nfs/dbraw/zinc/61/68/52/635616852.db2.gz BKPIYOKQQAGGKN-HOCLYGCPSA-N 2 1 292.423 2.129 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)CC[C@H]1C[NH3+] ZINC000904411976 635619298 /nfs/dbraw/zinc/61/92/98/635619298.db2.gz QUSVIDIVQFZCAJ-OCCSQVGLSA-N 2 1 259.397 2.071 20 0 CEADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cncc(O)c1 ZINC000904433662 635626682 /nfs/dbraw/zinc/62/66/82/635626682.db2.gz PDKOYPOCPJSIKW-JSGCOSHPSA-N 2 1 263.385 2.188 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000825404288 635632284 /nfs/dbraw/zinc/63/22/84/635632284.db2.gz KYPHLPLSBURJLJ-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCCON ZINC000904456207 635642247 /nfs/dbraw/zinc/64/22/47/635642247.db2.gz GKTNZZMEZLLPBE-UHFFFAOYSA-N 2 1 279.428 2.015 20 0 CEADMP [NH2+]=C(NC[C@H]1CCCS1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000905045254 635786867 /nfs/dbraw/zinc/78/68/67/635786867.db2.gz CWMAIXMPKWEKNW-ZIAGYGMSSA-N 2 1 296.484 2.013 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827813644 636431959 /nfs/dbraw/zinc/43/19/59/636431959.db2.gz XFAZHMZGCNQCMR-WDEREUQCSA-N 2 1 265.228 2.454 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827813644 636431961 /nfs/dbraw/zinc/43/19/61/636431961.db2.gz XFAZHMZGCNQCMR-WDEREUQCSA-N 2 1 265.228 2.454 20 0 CEADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906508008 636758980 /nfs/dbraw/zinc/75/89/80/636758980.db2.gz GZPJLXGREFLYKW-WKILWMFISA-N 2 1 284.407 2.128 20 0 CEADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C1CC([NH3+])C1 ZINC000906509242 636760377 /nfs/dbraw/zinc/76/03/77/636760377.db2.gz BXUDUVNMYKAQDV-UHFFFAOYSA-N 2 1 288.370 2.208 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000906509951 636760509 /nfs/dbraw/zinc/76/05/09/636760509.db2.gz FCIJOGDELIAXQJ-UHFFFAOYSA-N 2 1 250.289 2.346 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H](OC)C23CCC3)C1 ZINC000834548279 637860547 /nfs/dbraw/zinc/86/05/47/637860547.db2.gz MPHMYRCXSOCRGC-ILXRZTDVSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000834846144 637968802 /nfs/dbraw/zinc/96/88/02/637968802.db2.gz OKOOMJSNFPJOKG-UHFFFAOYSA-N 2 1 284.363 2.214 20 0 CEADMP CC[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000910281255 637974647 /nfs/dbraw/zinc/97/46/47/637974647.db2.gz IGHZXFDSTQWCOT-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1c(Cl)cccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000876817354 650445189 /nfs/dbraw/zinc/44/51/89/650445189.db2.gz FUWAIKIAKOLVEC-STQMWFEESA-N 2 1 250.773 2.300 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912879404 639058585 /nfs/dbraw/zinc/05/85/85/639058585.db2.gz ZNYBPNOMDBPTRF-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP CC[C@@](C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)OC ZINC000876951077 650502658 /nfs/dbraw/zinc/50/26/58/650502658.db2.gz CVYQYZQATIRXMW-INIZCTEOSA-N 2 1 288.395 2.480 20 0 CEADMP C[N@@H+](CCOc1ccc(F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226435171 639544354 /nfs/dbraw/zinc/54/43/54/639544354.db2.gz LVKXBJYBODLQCH-CYBMUJFWSA-N 2 1 266.360 2.136 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cc(F)ccc2F)CC[N@@H+]1C ZINC000226876555 639567926 /nfs/dbraw/zinc/56/79/26/639567926.db2.gz MUCDDVOODCJABN-IXPVHAAZSA-N 2 1 284.350 2.071 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cc(F)ccc2F)CC[N@H+]1C ZINC000226876555 639567930 /nfs/dbraw/zinc/56/79/30/639567930.db2.gz MUCDDVOODCJABN-IXPVHAAZSA-N 2 1 284.350 2.071 20 0 CEADMP C([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[C@H]1CCCC[NH2+]1 ZINC000841033575 639625040 /nfs/dbraw/zinc/62/50/40/639625040.db2.gz WAUPDJDYOICWOZ-FVCCEPFGSA-N 2 1 272.483 2.098 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC000228474578 639636225 /nfs/dbraw/zinc/63/62/25/639636225.db2.gz YJOMCUOXTRQIJP-JHJVBQTASA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC000228474578 639636228 /nfs/dbraw/zinc/63/62/28/639636228.db2.gz YJOMCUOXTRQIJP-JHJVBQTASA-N 2 1 265.788 2.294 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000841072094 639643823 /nfs/dbraw/zinc/64/38/23/639643823.db2.gz GGWYZXJYMDZJFF-LLVKDONJSA-N 2 1 253.777 2.213 20 0 CEADMP C[N@H+](CCO[NH+]=C(N)CC1CC1)Cc1ccccc1 ZINC000842033328 639925927 /nfs/dbraw/zinc/92/59/27/639925927.db2.gz RQFSJFPUJVMDCS-UHFFFAOYSA-N 2 1 261.369 2.417 20 0 CEADMP C[N@@H+](CCO[NH+]=C(N)CC1CC1)Cc1ccccc1 ZINC000842033328 639925929 /nfs/dbraw/zinc/92/59/29/639925929.db2.gz RQFSJFPUJVMDCS-UHFFFAOYSA-N 2 1 261.369 2.417 20 0 CEADMP c1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc2c1COC2 ZINC000842475173 640074144 /nfs/dbraw/zinc/07/41/44/640074144.db2.gz LPHXPGASMFAXND-KRWDZBQOSA-N 2 1 272.392 2.292 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc2c1COC2 ZINC000842475173 640074149 /nfs/dbraw/zinc/07/41/49/640074149.db2.gz LPHXPGASMFAXND-KRWDZBQOSA-N 2 1 272.392 2.292 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000842476317 640074759 /nfs/dbraw/zinc/07/47/59/640074759.db2.gz LQKJIOYZBXJJHJ-CQSZACIVSA-N 2 1 270.417 2.171 20 0 CEADMP C[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842677998 640146716 /nfs/dbraw/zinc/14/67/16/640146716.db2.gz QDYIHHLZTWCBIB-QZTJIDSGSA-N 2 1 299.462 2.477 20 0 CEADMP C[N@H+]1CC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842677998 640146720 /nfs/dbraw/zinc/14/67/20/640146720.db2.gz QDYIHHLZTWCBIB-QZTJIDSGSA-N 2 1 299.462 2.477 20 0 CEADMP C[NH+]1CC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842677998 640146728 /nfs/dbraw/zinc/14/67/28/640146728.db2.gz QDYIHHLZTWCBIB-QZTJIDSGSA-N 2 1 299.462 2.477 20 0 CEADMP C[NH+]1CC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842677998 640146732 /nfs/dbraw/zinc/14/67/32/640146732.db2.gz QDYIHHLZTWCBIB-QZTJIDSGSA-N 2 1 299.462 2.477 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C/C=C(/C)COC)C1 ZINC000929780565 640187848 /nfs/dbraw/zinc/18/78/48/640187848.db2.gz OXQYVTXRJMKBLY-HWIKDYBBSA-N 2 1 254.418 2.243 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C(/C)COC)C1 ZINC000929780565 640187849 /nfs/dbraw/zinc/18/78/49/640187849.db2.gz OXQYVTXRJMKBLY-HWIKDYBBSA-N 2 1 254.418 2.243 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C(/C)COC)C1 ZINC000929780565 640187850 /nfs/dbraw/zinc/18/78/50/640187850.db2.gz OXQYVTXRJMKBLY-HWIKDYBBSA-N 2 1 254.418 2.243 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C(/C)COC)C1 ZINC000929780565 640187853 /nfs/dbraw/zinc/18/78/53/640187853.db2.gz OXQYVTXRJMKBLY-HWIKDYBBSA-N 2 1 254.418 2.243 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C(/C)COC)C1 ZINC000929780565 640187857 /nfs/dbraw/zinc/18/78/57/640187857.db2.gz OXQYVTXRJMKBLY-HWIKDYBBSA-N 2 1 254.418 2.243 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@H](COC)C(C)C)CC1 ZINC000929781293 640190054 /nfs/dbraw/zinc/19/00/54/640190054.db2.gz VLOZHVXUDRTKQR-CQSZACIVSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H](COC)C(C)C)CC1 ZINC000929781293 640190057 /nfs/dbraw/zinc/19/00/57/640190057.db2.gz VLOZHVXUDRTKQR-CQSZACIVSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)CCO1 ZINC000843051121 640255218 /nfs/dbraw/zinc/25/52/18/640255218.db2.gz ALBJEDMMQOFDPL-LXTVHRRPSA-N 2 1 254.418 2.251 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055602 640257119 /nfs/dbraw/zinc/25/71/19/640257119.db2.gz HNNREJTUHZCUTE-UHFFFAOYSA-N 2 1 278.444 2.247 20 0 CEADMP c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc2c1COC2 ZINC000843117721 640287035 /nfs/dbraw/zinc/28/70/35/640287035.db2.gz TWGHEYZVNBDPRE-QGZVFWFLSA-N 2 1 272.392 2.292 20 0 CEADMP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc2c1COC2 ZINC000843117721 640287038 /nfs/dbraw/zinc/28/70/38/640287038.db2.gz TWGHEYZVNBDPRE-QGZVFWFLSA-N 2 1 272.392 2.292 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000843128590 640295737 /nfs/dbraw/zinc/29/57/37/640295737.db2.gz KMFPYQFTHYBASM-BQBZGAKWSA-N 2 1 298.740 2.308 20 0 CEADMP CC[NH2+]Cc1noc(-c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000843144583 640305032 /nfs/dbraw/zinc/30/50/32/640305032.db2.gz VLHICJMAUMLHOQ-UHFFFAOYSA-N 2 1 286.379 2.442 20 0 CEADMP CC(C)C[N@H+](C[C@H](C)[NH3+])C[C@@H](O)c1ccc(F)cc1 ZINC000843358909 640402061 /nfs/dbraw/zinc/40/20/61/640402061.db2.gz CSWAUWWHGPNMFW-SWLSCSKDSA-N 2 1 268.376 2.164 20 0 CEADMP CC(C)C[N@@H+](C[C@H](C)[NH3+])C[C@@H](O)c1ccc(F)cc1 ZINC000843358909 640402066 /nfs/dbraw/zinc/40/20/66/640402066.db2.gz CSWAUWWHGPNMFW-SWLSCSKDSA-N 2 1 268.376 2.164 20 0 CEADMP Fc1ccc([C@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)cc1F ZINC000843358589 640402576 /nfs/dbraw/zinc/40/25/76/640402576.db2.gz SMXZJZXQXJBZKP-MRXNPFEDSA-N 2 1 295.377 2.007 20 0 CEADMP Cc1cc2oc(=O)cc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2cc1C ZINC000843377693 640411181 /nfs/dbraw/zinc/41/11/81/640411181.db2.gz IMNXYPBCDMWCRQ-GASCZTMLSA-N 2 1 298.386 2.061 20 0 CEADMP Cc1cc2oc(=O)cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2cc1C ZINC000843377693 640411183 /nfs/dbraw/zinc/41/11/83/640411183.db2.gz IMNXYPBCDMWCRQ-GASCZTMLSA-N 2 1 298.386 2.061 20 0 CEADMP CCCCOC(=O)[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843385881 640412622 /nfs/dbraw/zinc/41/26/22/640412622.db2.gz ZIHSQOUNJAVLRR-ZFWWWQNUSA-N 2 1 282.428 2.040 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000844203631 640631040 /nfs/dbraw/zinc/63/10/40/640631040.db2.gz HDOQHGQDOFMZSK-OAHLLOKOSA-N 2 1 295.471 2.289 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844440084 640725571 /nfs/dbraw/zinc/72/55/71/640725571.db2.gz LETHVAWZUFYCGD-GFCCVEGCSA-N 2 1 255.312 2.313 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844440084 640725594 /nfs/dbraw/zinc/72/55/94/640725594.db2.gz LETHVAWZUFYCGD-GFCCVEGCSA-N 2 1 255.312 2.313 20 0 CEADMP C[C@H](O)c1ncc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000844902034 640859783 /nfs/dbraw/zinc/85/97/83/640859783.db2.gz NCGQWCSNINTPPP-NTZNESFSSA-N 2 1 283.441 2.146 20 0 CEADMP C[C@H](O)c1ncc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000844902034 640859789 /nfs/dbraw/zinc/85/97/89/640859789.db2.gz NCGQWCSNINTPPP-NTZNESFSSA-N 2 1 283.441 2.146 20 0 CEADMP CC[C@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCO1 ZINC000844901629 640860407 /nfs/dbraw/zinc/86/04/07/640860407.db2.gz JAHKBCCQWDXMGL-UGUYLWEFSA-N 2 1 266.429 2.252 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@](C)(O)c1ccccc1 ZINC000846044824 641163533 /nfs/dbraw/zinc/16/35/33/641163533.db2.gz QKIOAOMTPWVNOP-KBXCAEBGSA-N 2 1 288.435 2.499 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846111026 641185281 /nfs/dbraw/zinc/18/52/81/641185281.db2.gz JVLFLDCEZNJZMO-GASCZTMLSA-N 2 1 296.361 2.324 20 0 CEADMP CCN(C[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000233521504 641324084 /nfs/dbraw/zinc/32/40/84/641324084.db2.gz HWWXQBGRYHAKOO-ZWKOTPCHSA-N 2 1 287.451 2.335 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000846815237 641437373 /nfs/dbraw/zinc/43/73/73/641437373.db2.gz YDWQFURTYRUULK-KRWDZBQOSA-N 2 1 294.414 2.318 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000846815237 641437377 /nfs/dbraw/zinc/43/73/77/641437377.db2.gz YDWQFURTYRUULK-KRWDZBQOSA-N 2 1 294.414 2.318 20 0 CEADMP C(C[N@H+]1CC[C@H](N2CCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250827257 641555654 /nfs/dbraw/zinc/55/56/54/641555654.db2.gz HVHKWEJTPSVXGL-FBVQUNGASA-N 2 1 291.483 2.467 20 0 CEADMP C(CN1CC[C@H]([NH+]2CCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250827257 641555656 /nfs/dbraw/zinc/55/56/56/641555656.db2.gz HVHKWEJTPSVXGL-FBVQUNGASA-N 2 1 291.483 2.467 20 0 CEADMP COc1c(C)cc(C[NH2+]C2CC(N(C)C)C2)cc1C ZINC000848557374 642051757 /nfs/dbraw/zinc/05/17/57/642051757.db2.gz IWRCDKZGPMEHIG-UHFFFAOYSA-N 2 1 262.397 2.494 20 0 CEADMP CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000996746521 642133011 /nfs/dbraw/zinc/13/30/11/642133011.db2.gz AIEWROTWZMJILX-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@@H+](C)CCCNCc1cnn(C2CCC2)c1 ZINC000921523240 642191648 /nfs/dbraw/zinc/19/16/48/642191648.db2.gz VQFFQTDRYIAYGF-UHFFFAOYSA-N 2 1 264.417 2.428 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cl)o1 ZINC000848982074 642203923 /nfs/dbraw/zinc/20/39/23/642203923.db2.gz SIUZDCXOVPBWKU-JTQLQIEISA-N 2 1 284.791 2.031 20 0 CEADMP CC[C@H](C)NC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000848981601 642204084 /nfs/dbraw/zinc/20/40/84/642204084.db2.gz BWFRODIBLOUVKL-QWHCGFSZSA-N 2 1 278.400 2.329 20 0 CEADMP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@H](C)[NH+](C)C ZINC000848996678 642216951 /nfs/dbraw/zinc/21/69/51/642216951.db2.gz PKNQYYYKZZMCAS-OLZOCXBDSA-N 2 1 256.438 2.265 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NC1CCC1 ZINC000848998928 642218308 /nfs/dbraw/zinc/21/83/08/642218308.db2.gz JSOWMELCWRUASX-AWEZNQCLSA-N 2 1 266.433 2.307 20 0 CEADMP [NH2+]=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N1CCC1 ZINC000849006942 642223762 /nfs/dbraw/zinc/22/37/62/642223762.db2.gz JSYKGWYKSHUTDG-OAHLLOKOSA-N 2 1 278.444 2.261 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000921555995 642236094 /nfs/dbraw/zinc/23/60/94/642236094.db2.gz HREOUGFEZNUTAB-UHFFFAOYSA-N 2 1 287.411 2.368 20 0 CEADMP CC(C)CCNC(=[NH2+])NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000849023166 642236464 /nfs/dbraw/zinc/23/64/64/642236464.db2.gz RQVVWOSIXJKRRV-AWEZNQCLSA-N 2 1 266.433 2.163 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC1C(C)(C)C1(C)C ZINC000849096770 642261519 /nfs/dbraw/zinc/26/15/19/642261519.db2.gz SNDCIWULCDGSAS-NSHDSACASA-N 2 1 266.433 2.019 20 0 CEADMP CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000997873924 642328649 /nfs/dbraw/zinc/32/86/49/642328649.db2.gz HHRIMOFJPJOYNS-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000877506244 650756231 /nfs/dbraw/zinc/75/62/31/650756231.db2.gz SBFLDKVQFCTLLO-MCIONIFRSA-N 2 1 299.459 2.362 20 0 CEADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000877506244 650756235 /nfs/dbraw/zinc/75/62/35/650756235.db2.gz SBFLDKVQFCTLLO-MCIONIFRSA-N 2 1 299.459 2.362 20 0 CEADMP CON(C)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000850479717 642726665 /nfs/dbraw/zinc/72/66/65/642726665.db2.gz BYCXQUVEELQUQE-ZDUSSCGKSA-N 2 1 288.395 2.325 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000850523139 642740084 /nfs/dbraw/zinc/74/00/84/642740084.db2.gz ARBPNIMEHLSLRV-AJNGGQMLSA-N 2 1 264.413 2.160 20 0 CEADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CC[C@@H]3COCC[C@@H]3C1)C2 ZINC000922025826 642846924 /nfs/dbraw/zinc/84/69/24/642846924.db2.gz ORPGIOUSVKWXRV-KLHDSHLOSA-N 2 1 289.423 2.240 20 0 CEADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(C)C)C2)[C@@H]1C(C)C ZINC000922391300 643058213 /nfs/dbraw/zinc/05/82/13/643058213.db2.gz BIIVMCIKOGPOSZ-WCVJEAGWSA-N 2 1 268.445 2.102 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@H]2COC(C)(C)O2)CC1 ZINC000851745124 643142066 /nfs/dbraw/zinc/14/20/66/643142066.db2.gz VZTZJNZXZXGOJC-HNNXBMFYSA-N 2 1 284.444 2.333 20 0 CEADMP CC1(C)OC[C@H](CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)O1 ZINC000851783412 643160524 /nfs/dbraw/zinc/16/05/24/643160524.db2.gz BKDKCDNTDJQMQQ-CVEARBPZSA-N 2 1 296.455 2.336 20 0 CEADMP FC(F)OCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000851860233 643195215 /nfs/dbraw/zinc/19/52/15/643195215.db2.gz HZNCJLOWLVITBF-YPMHNXCESA-N 2 1 274.355 2.174 20 0 CEADMP FC(F)OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000851860233 643195220 /nfs/dbraw/zinc/19/52/20/643195220.db2.gz HZNCJLOWLVITBF-YPMHNXCESA-N 2 1 274.355 2.174 20 0 CEADMP FC(F)OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000851860233 643195223 /nfs/dbraw/zinc/19/52/23/643195223.db2.gz HZNCJLOWLVITBF-YPMHNXCESA-N 2 1 274.355 2.174 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CC1(C)C ZINC000922716496 643222824 /nfs/dbraw/zinc/22/28/24/643222824.db2.gz AFRNXKSPTOQRGE-YJNKXOJESA-N 2 1 264.413 2.040 20 0 CEADMP CN(C)[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(F)(F)F ZINC000922755062 643245766 /nfs/dbraw/zinc/24/57/66/643245766.db2.gz RMOUWMSAUGQFPU-RWMBFGLXSA-N 2 1 293.377 2.085 20 0 CEADMP CCO[C@H](C[NH2+]Cc1ccc(F)c(C)c1)CN(C)C ZINC000922756149 643246756 /nfs/dbraw/zinc/24/67/56/643246756.db2.gz GLXAXOBKZVXDBG-CQSZACIVSA-N 2 1 268.376 2.190 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)C[NH+](C)C ZINC000922758138 643248266 /nfs/dbraw/zinc/24/82/66/643248266.db2.gz RMMYOWVROOMZGP-KBUPBQIOSA-N 2 1 256.434 2.367 20 0 CEADMP CCO[C@@H](C[NH2+]C[C@@H](C)c1ccc(F)cc1)C[NH+](C)C ZINC000922758035 643248272 /nfs/dbraw/zinc/24/82/72/643248272.db2.gz OUIMBKAQBWYXDQ-CJNGLKHVSA-N 2 1 282.403 2.486 20 0 CEADMP ClC1(Cl)C[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000877636054 650826419 /nfs/dbraw/zinc/82/64/19/650826419.db2.gz LGHBRRFRTBGEHC-JQWIXIFHSA-N 2 1 293.238 2.023 20 0 CEADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)c1ccccc1)C2 ZINC000852105432 643310021 /nfs/dbraw/zinc/31/00/21/643310021.db2.gz BKUKHVOEOWYOSG-DLBZAZTESA-N 2 1 274.408 2.138 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)c1ccccc1)C2 ZINC000852105432 643310024 /nfs/dbraw/zinc/31/00/24/643310024.db2.gz BKUKHVOEOWYOSG-DLBZAZTESA-N 2 1 274.408 2.138 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)c1ccccc1)C2 ZINC000852105432 643310029 /nfs/dbraw/zinc/31/00/29/643310029.db2.gz BKUKHVOEOWYOSG-DLBZAZTESA-N 2 1 274.408 2.138 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)c1ccccc1)C2 ZINC000852105432 643310032 /nfs/dbraw/zinc/31/00/32/643310032.db2.gz BKUKHVOEOWYOSG-DLBZAZTESA-N 2 1 274.408 2.138 20 0 CEADMP CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC)CC1)[NH+](C)C ZINC001004549243 643317342 /nfs/dbraw/zinc/31/73/42/643317342.db2.gz VTHLXMFWIGYSLE-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001005180478 643393327 /nfs/dbraw/zinc/39/33/27/643393327.db2.gz SKCRCNPNTDPDQV-HOCLYGCPSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001005592381 643422254 /nfs/dbraw/zinc/42/22/54/643422254.db2.gz LMWFTKIYSCGRHR-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+](C)C[C@@H]1CN(C[C@@H]2CC[C@H]3C[C@H]3C2)C[C@H]1C[NH+](C)C ZINC000877670599 650842910 /nfs/dbraw/zinc/84/29/10/650842910.db2.gz NBHQMLQIGPIBRL-CWQOZTLDSA-N 2 1 293.499 2.094 20 0 CEADMP O[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000922989636 643498582 /nfs/dbraw/zinc/49/85/82/643498582.db2.gz VKYFXVFMNRCLCW-ATLSCFEFSA-N 2 1 286.419 2.251 20 0 CEADMP O[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922989636 643498586 /nfs/dbraw/zinc/49/85/86/643498586.db2.gz VKYFXVFMNRCLCW-ATLSCFEFSA-N 2 1 286.419 2.251 20 0 CEADMP C1CC1([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCCO1 ZINC000923028551 643523616 /nfs/dbraw/zinc/52/36/16/643523616.db2.gz RGGOHNCPSVUNIW-QLFBSQMISA-N 2 1 264.413 2.305 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CCCCC1 ZINC000852751308 643536653 /nfs/dbraw/zinc/53/66/53/643536653.db2.gz WTVCBHLJENGWJI-HZPDHXFCSA-N 2 1 266.429 2.410 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CCCCC1 ZINC000852751308 643536658 /nfs/dbraw/zinc/53/66/58/643536658.db2.gz WTVCBHLJENGWJI-HZPDHXFCSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)c1[nH+]ccn1CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000852802993 643558884 /nfs/dbraw/zinc/55/88/84/643558884.db2.gz BFWJADRYSKRAGS-UHFFFAOYSA-N 2 1 298.390 2.040 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923280010 643637027 /nfs/dbraw/zinc/63/70/27/643637027.db2.gz CXVNJNPPMMRCOL-QAPCUYQASA-N 2 1 284.403 2.024 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000923282876 643638056 /nfs/dbraw/zinc/63/80/56/643638056.db2.gz YAVJIZRCKQEPPJ-GWCFXTLKSA-N 2 1 288.313 2.019 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000923282876 643638062 /nfs/dbraw/zinc/63/80/62/643638062.db2.gz YAVJIZRCKQEPPJ-GWCFXTLKSA-N 2 1 288.313 2.019 20 0 CEADMP CCc1onc(C)c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000923294790 643646445 /nfs/dbraw/zinc/64/64/45/643646445.db2.gz PRQHZXUMEZWWRU-UHFFFAOYSA-N 2 1 251.374 2.247 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923297795 643648438 /nfs/dbraw/zinc/64/84/38/643648438.db2.gz QBLKWUYPKHMYQT-UYTSQGDYSA-N 3 1 267.461 2.212 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@H]2CCCC[C@@H]12 ZINC000923304961 643651902 /nfs/dbraw/zinc/65/19/02/643651902.db2.gz DHGZINPQOZBWQJ-FXUDXRNXSA-N 2 1 278.440 2.266 20 0 CEADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923305397 643652313 /nfs/dbraw/zinc/65/23/13/643652313.db2.gz YOSUHPBSTPVDBL-HOCLYGCPSA-N 2 1 274.408 2.366 20 0 CEADMP O[C@@H](CC1CCCC1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923330734 643661247 /nfs/dbraw/zinc/66/12/47/643661247.db2.gz HQFZGFJFUIKCPD-HNNXBMFYSA-N 2 1 266.429 2.003 20 0 CEADMP C[N@H+]1CCN(CCC[NH2+]C2CC2)C2(CCCCC2)C1 ZINC000923325703 643663244 /nfs/dbraw/zinc/66/32/44/643663244.db2.gz GHCSJTAQYJYXSY-UHFFFAOYSA-N 2 1 265.445 2.079 20 0 CEADMP CCC[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC000923325857 643663333 /nfs/dbraw/zinc/66/33/33/643663333.db2.gz CKTMGDPUIXSBNB-MRXNPFEDSA-N 2 1 298.377 2.462 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923326889 643664559 /nfs/dbraw/zinc/66/45/59/643664559.db2.gz OPLPJTMELWVWNB-OAHLLOKOSA-N 2 1 262.401 2.008 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923326889 643664561 /nfs/dbraw/zinc/66/45/61/643664561.db2.gz OPLPJTMELWVWNB-OAHLLOKOSA-N 2 1 262.401 2.008 20 0 CEADMP NCC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000923332230 643664921 /nfs/dbraw/zinc/66/49/21/643664921.db2.gz QQIGPNIAKLLLIC-AYHJJNSGSA-N 2 1 287.451 2.368 20 0 CEADMP NCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000923332230 643664928 /nfs/dbraw/zinc/66/49/28/643664928.db2.gz QQIGPNIAKLLLIC-AYHJJNSGSA-N 2 1 287.451 2.368 20 0 CEADMP CCc1onc(C)c1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923335186 643666883 /nfs/dbraw/zinc/66/68/83/643666883.db2.gz MIKYWOSCBQDWDI-GFCCVEGCSA-N 2 1 251.374 2.119 20 0 CEADMP CCc1onc(C)c1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923335186 643666884 /nfs/dbraw/zinc/66/68/84/643666884.db2.gz MIKYWOSCBQDWDI-GFCCVEGCSA-N 2 1 251.374 2.119 20 0 CEADMP CC[N@@H+](C[C@@H](O)Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000923334927 643666933 /nfs/dbraw/zinc/66/69/33/643666933.db2.gz HGVFTRBIZQTYBK-SJORKVTESA-N 2 1 276.424 2.054 20 0 CEADMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[NH2+]CC1 ZINC000923335317 643667170 /nfs/dbraw/zinc/66/71/70/643667170.db2.gz KYCGINBCMPSXFK-HMQMGEFJSA-N 3 1 279.472 2.371 20 0 CEADMP C[NH2+]CCC[N@H+](C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000923377858 643686007 /nfs/dbraw/zinc/68/60/07/643686007.db2.gz QIEPCCNCLLMMFT-CYBMUJFWSA-N 2 1 290.329 2.280 20 0 CEADMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000923377858 643686009 /nfs/dbraw/zinc/68/60/09/643686009.db2.gz QIEPCCNCLLMMFT-CYBMUJFWSA-N 2 1 290.329 2.280 20 0 CEADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000923382356 643688165 /nfs/dbraw/zinc/68/81/65/643688165.db2.gz ODVXMUSECPXJSE-MGPQQGTHSA-N 2 1 286.778 2.372 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923384852 643689879 /nfs/dbraw/zinc/68/98/79/643689879.db2.gz OMDIODXAPHIOIP-SOUVJXGZSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)CC(C)(C)[NH3+] ZINC000923386546 643692948 /nfs/dbraw/zinc/69/29/48/643692948.db2.gz OMNBOSRVLMOLQX-KRWDZBQOSA-N 2 1 286.419 2.412 20 0 CEADMP C[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)CC(C)(C)[NH3+] ZINC000923386546 643692951 /nfs/dbraw/zinc/69/29/51/643692951.db2.gz OMNBOSRVLMOLQX-KRWDZBQOSA-N 2 1 286.419 2.412 20 0 CEADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000923389409 643694972 /nfs/dbraw/zinc/69/49/72/643694972.db2.gz AANWFPHQNHOEMO-HOTGVXAUSA-N 2 1 278.440 2.267 20 0 CEADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](C3CCCCC3)C2)C1 ZINC000923395667 643695572 /nfs/dbraw/zinc/69/55/72/643695572.db2.gz PALHZGCODRFCSC-UGUYLWEFSA-N 2 1 266.429 2.129 20 0 CEADMP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923398698 643696940 /nfs/dbraw/zinc/69/69/40/643696940.db2.gz NHNXAORWVZNEQJ-WORDMNGFSA-N 2 1 298.377 2.017 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000923412637 643700898 /nfs/dbraw/zinc/70/08/98/643700898.db2.gz RXVWEWAGRNAVGG-NIKGAXFTSA-N 2 1 298.430 2.270 20 0 CEADMP CC1(C)c2ccccc2CC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923422890 643703014 /nfs/dbraw/zinc/70/30/14/643703014.db2.gz UUQURHSHAARSML-HNNXBMFYSA-N 2 1 286.419 2.158 20 0 CEADMP O[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000923426816 643706470 /nfs/dbraw/zinc/70/64/70/643706470.db2.gz GWNUCGFHIRUJTN-DLBZAZTESA-N 2 1 288.435 2.244 20 0 CEADMP c1[nH]nc2c1[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000853239902 643719328 /nfs/dbraw/zinc/71/93/28/643719328.db2.gz KARURKDIPMGKBF-ZBFHGGJFSA-N 2 1 288.439 2.499 20 0 CEADMP c1[nH]nc2c1[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000853239896 643719347 /nfs/dbraw/zinc/71/93/47/643719347.db2.gz KARURKDIPMGKBF-GDBMZVCRSA-N 2 1 288.439 2.499 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000923486418 643729754 /nfs/dbraw/zinc/72/97/54/643729754.db2.gz GHLQCPIHMQWOHC-HUUCEWRRSA-N 2 1 289.423 2.301 20 0 CEADMP CC1(C)CCc2onc(C[N@H+]3CC[C@@H](CC[NH3+])C3)c2C1 ZINC000923479425 643730943 /nfs/dbraw/zinc/73/09/43/643730943.db2.gz OUHRCVBSIROQLO-GFCCVEGCSA-N 2 1 277.412 2.360 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccn(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000923496536 643733689 /nfs/dbraw/zinc/73/36/89/643733689.db2.gz JKEJCFBAMNJKBS-CABCVRRESA-N 2 1 284.407 2.289 20 0 CEADMP C[C@H]1C[N@H+](Cc2cncc(Br)c2)CC[C@H]1C[NH3+] ZINC000923495172 643734023 /nfs/dbraw/zinc/73/40/23/643734023.db2.gz UTGUUWJAVXEJFZ-JQWIXIFHSA-N 2 1 298.228 2.261 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cncc(Br)c2)CC[C@H]1C[NH3+] ZINC000923495172 643734027 /nfs/dbraw/zinc/73/40/27/643734027.db2.gz UTGUUWJAVXEJFZ-JQWIXIFHSA-N 2 1 298.228 2.261 20 0 CEADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923486284 643734496 /nfs/dbraw/zinc/73/44/96/643734496.db2.gz DZBHCTOPENMJOQ-CHWSQXEVSA-N 2 1 286.379 2.468 20 0 CEADMP C[C@@H]1C[N@@H+](CCN(C)c2ccccc2)CC[C@@H]1C[NH3+] ZINC000923496543 643735305 /nfs/dbraw/zinc/73/53/05/643735305.db2.gz AOGSJBIJOXSLCR-HUUCEWRRSA-N 2 1 261.413 2.040 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC[C@@H]1C[NH3+] ZINC000923499039 643741111 /nfs/dbraw/zinc/74/11/11/643741111.db2.gz QKEKPVSKCWCZQD-CMPLNLGQSA-N 2 1 254.324 2.382 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1C ZINC000923510980 643746013 /nfs/dbraw/zinc/74/60/13/643746013.db2.gz YUFUZBAMOJGQKQ-LSDHHAIUSA-N 2 1 289.423 2.159 20 0 CEADMP c1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc2c1CCC2 ZINC000923518164 643748548 /nfs/dbraw/zinc/74/85/48/643748548.db2.gz ATVODBLGXNGMAM-DLBZAZTESA-N 2 1 256.393 2.217 20 0 CEADMP Brc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521827 643749775 /nfs/dbraw/zinc/74/97/75/643749775.db2.gz WTHMOBPIJCRZET-WCQYABFASA-N 2 1 295.224 2.490 20 0 CEADMP Brc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521827 643749784 /nfs/dbraw/zinc/74/97/84/643749784.db2.gz WTHMOBPIJCRZET-WCQYABFASA-N 2 1 295.224 2.490 20 0 CEADMP c1ccc(CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C2CC2)cc1 ZINC000923553425 643760136 /nfs/dbraw/zinc/76/01/36/643760136.db2.gz JMJVQXHMRGUXLC-QGZVFWFLSA-N 2 1 286.419 2.072 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccnc(Cl)c1 ZINC000853773420 643898490 /nfs/dbraw/zinc/89/84/90/643898490.db2.gz DCKKCFXMIPLTIP-LBPRGKRZSA-N 2 1 284.835 2.419 20 0 CEADMP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000112119140 644028989 /nfs/dbraw/zinc/02/89/89/644028989.db2.gz HJBBKMAFHGBYLV-UHFFFAOYSA-N 2 1 283.375 2.412 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925488239 644057234 /nfs/dbraw/zinc/05/72/34/644057234.db2.gz IRKHRVQYMJPLTQ-DLBZAZTESA-N 3 1 281.488 2.476 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]CCCn1cc[nH+]c1C ZINC000838906006 644063297 /nfs/dbraw/zinc/06/32/97/644063297.db2.gz GYMWBHZBWFHQMB-UHFFFAOYSA-N 2 1 281.400 2.151 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@]3(C)CCCS3)CC[C@@H]21 ZINC000877743164 650889263 /nfs/dbraw/zinc/88/92/63/650889263.db2.gz UIBHOFQTZAUJTI-RDBSUJKOSA-N 2 1 254.443 2.298 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@]3(C)CCCS3)CC[C@@H]21 ZINC000877743164 650889266 /nfs/dbraw/zinc/88/92/66/650889266.db2.gz UIBHOFQTZAUJTI-RDBSUJKOSA-N 2 1 254.443 2.298 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@]3(C)CCCS3)CC[C@@H]21 ZINC000877743164 650889267 /nfs/dbraw/zinc/88/92/67/650889267.db2.gz UIBHOFQTZAUJTI-RDBSUJKOSA-N 2 1 254.443 2.298 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@]3(C)CCCS3)CC[C@@H]21 ZINC000877743164 650889271 /nfs/dbraw/zinc/88/92/71/650889271.db2.gz UIBHOFQTZAUJTI-RDBSUJKOSA-N 2 1 254.443 2.298 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000839115189 644156195 /nfs/dbraw/zinc/15/61/95/644156195.db2.gz HHWJIBLQWMKQBL-KRWDZBQOSA-N 2 1 296.455 2.384 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000839115189 644156202 /nfs/dbraw/zinc/15/62/02/644156202.db2.gz HHWJIBLQWMKQBL-KRWDZBQOSA-N 2 1 296.455 2.384 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000839115189 644156205 /nfs/dbraw/zinc/15/62/05/644156205.db2.gz HHWJIBLQWMKQBL-KRWDZBQOSA-N 2 1 296.455 2.384 20 0 CEADMP CCC1([NH+]2CCC2)CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000886718430 644266245 /nfs/dbraw/zinc/26/62/45/644266245.db2.gz ZZPKHKBOKYMCBI-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000856282587 644626811 /nfs/dbraw/zinc/62/68/11/644626811.db2.gz XSDUWJWOTYXWNP-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CCOc1cncc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000856771706 644718486 /nfs/dbraw/zinc/71/84/86/644718486.db2.gz KRZHBMBVRLWZMO-CABCVRRESA-N 2 1 277.412 2.443 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)CC1(C)C ZINC000858095097 645058797 /nfs/dbraw/zinc/05/87/97/645058797.db2.gz LEPONTYUVPVGGF-OAHLLOKOSA-N 2 1 299.422 2.230 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)CC1(C)C ZINC000858095097 645058802 /nfs/dbraw/zinc/05/88/02/645058802.db2.gz LEPONTYUVPVGGF-OAHLLOKOSA-N 2 1 299.422 2.230 20 0 CEADMP CNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858094358 645059133 /nfs/dbraw/zinc/05/91/33/645059133.db2.gz FEXPHBYJRYARTA-HNNXBMFYSA-N 2 1 289.423 2.009 20 0 CEADMP CNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858094358 645059138 /nfs/dbraw/zinc/05/91/38/645059138.db2.gz FEXPHBYJRYARTA-HNNXBMFYSA-N 2 1 289.423 2.009 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000858245593 645097333 /nfs/dbraw/zinc/09/73/33/645097333.db2.gz KALSARVQXZZCFD-SNVBAGLBSA-N 2 1 290.333 2.250 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000858245593 645097337 /nfs/dbraw/zinc/09/73/37/645097337.db2.gz KALSARVQXZZCFD-SNVBAGLBSA-N 2 1 290.333 2.250 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000762790051 645451552 /nfs/dbraw/zinc/45/15/52/645451552.db2.gz WOSLAROCGACVEL-YOEHRIQHSA-N 2 1 292.423 2.029 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC000762790051 645451556 /nfs/dbraw/zinc/45/15/56/645451556.db2.gz WOSLAROCGACVEL-YOEHRIQHSA-N 2 1 292.423 2.029 20 0 CEADMP CC[N@@H+](CCCNC(C)=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000859994767 645672603 /nfs/dbraw/zinc/67/26/03/645672603.db2.gz CENBMCDMYAZFON-UHFFFAOYSA-N 2 1 291.439 2.096 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCOC1 ZINC000765973186 645829922 /nfs/dbraw/zinc/82/99/22/645829922.db2.gz DMIDPSYHOCPFTG-OIISXLGYSA-N 2 1 296.455 2.035 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](C(C)(C)C)CC2)o1 ZINC000766144940 645852801 /nfs/dbraw/zinc/85/28/01/645852801.db2.gz YEDLLKBYHRUODG-CQSZACIVSA-N 2 1 280.412 2.474 20 0 CEADMP CCC[N@H+](CCc1cccs1)C[C@@H](O)C[NH+]1CCCC1 ZINC000766942045 645939308 /nfs/dbraw/zinc/93/93/08/645939308.db2.gz GKEJBDXEPJLBJR-OAHLLOKOSA-N 2 1 296.480 2.459 20 0 CEADMP CCC[N@@H+](CCc1cccs1)C[C@@H](O)C[NH+]1CCCC1 ZINC000766942045 645939311 /nfs/dbraw/zinc/93/93/11/645939311.db2.gz GKEJBDXEPJLBJR-OAHLLOKOSA-N 2 1 296.480 2.459 20 0 CEADMP CCOC(C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)OCC ZINC000767793613 646041791 /nfs/dbraw/zinc/04/17/91/646041791.db2.gz TYZHQCGWZDHTRQ-HNNXBMFYSA-N 2 1 284.444 2.049 20 0 CEADMP CCOC(C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)OCC ZINC000767793613 646041800 /nfs/dbraw/zinc/04/18/00/646041800.db2.gz TYZHQCGWZDHTRQ-HNNXBMFYSA-N 2 1 284.444 2.049 20 0 CEADMP CCOC(C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)OCC ZINC000767793613 646041807 /nfs/dbraw/zinc/04/18/07/646041807.db2.gz TYZHQCGWZDHTRQ-HNNXBMFYSA-N 2 1 284.444 2.049 20 0 CEADMP CCOC(C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)OCC ZINC000767793613 646041814 /nfs/dbraw/zinc/04/18/14/646041814.db2.gz TYZHQCGWZDHTRQ-HNNXBMFYSA-N 2 1 284.444 2.049 20 0 CEADMP Cc1c(C[N@@H+](C)CC2CC[NH+](C)CC2)ccnc1F ZINC000862239177 646375372 /nfs/dbraw/zinc/37/53/72/646375372.db2.gz YDKPRUZQDCHARM-UHFFFAOYSA-N 2 1 265.376 2.303 20 0 CEADMP Cc1c(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)ccnc1F ZINC000862283184 646393445 /nfs/dbraw/zinc/39/34/45/646393445.db2.gz CDYYFHCQKVSWHD-KGLIPLIRSA-N 2 1 265.376 2.492 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccnc(F)c2C)CC1 ZINC000862294973 646397134 /nfs/dbraw/zinc/39/71/34/646397134.db2.gz VAEUBUZUHVFJIP-UHFFFAOYSA-N 2 1 265.376 2.493 20 0 CEADMP Cc1c(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)ccnc1F ZINC000862366937 646415901 /nfs/dbraw/zinc/41/59/01/646415901.db2.gz PBVIZXWWHYQVQQ-ZDUSSCGKSA-N 2 1 265.376 2.349 20 0 CEADMP Cc1c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccnc1F ZINC000862366937 646415907 /nfs/dbraw/zinc/41/59/07/646415907.db2.gz PBVIZXWWHYQVQQ-ZDUSSCGKSA-N 2 1 265.376 2.349 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccnc(F)c3)C2)CC1 ZINC000862367833 646417929 /nfs/dbraw/zinc/41/79/29/646417929.db2.gz WILXDNAPSVMGSH-OAHLLOKOSA-N 2 1 277.387 2.384 20 0 CEADMP Cc1c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)ccnc1F ZINC000862391340 646434081 /nfs/dbraw/zinc/43/40/81/646434081.db2.gz GLZVWBPXCCABDC-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP CC[C@H](C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000771837024 646557770 /nfs/dbraw/zinc/55/77/70/646557770.db2.gz QKNCIOSFQUJXHT-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000772987908 646693315 /nfs/dbraw/zinc/69/33/15/646693315.db2.gz MJUCYGYOEBESJU-QGZVFWFLSA-N 2 1 274.408 2.012 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC[N@@H+]1C ZINC000773134465 646709234 /nfs/dbraw/zinc/70/92/34/646709234.db2.gz JMUJUMGWYYOJHI-XGFWRYKXSA-N 2 1 286.510 2.438 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC[N@H+]1C ZINC000773134465 646709238 /nfs/dbraw/zinc/70/92/38/646709238.db2.gz JMUJUMGWYYOJHI-XGFWRYKXSA-N 2 1 286.510 2.438 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC[N@@H+]1C ZINC000773134464 646709418 /nfs/dbraw/zinc/70/94/18/646709418.db2.gz JMUJUMGWYYOJHI-POQQGIQPSA-N 2 1 286.510 2.438 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC[N@H+]1C ZINC000773134464 646709420 /nfs/dbraw/zinc/70/94/20/646709420.db2.gz JMUJUMGWYYOJHI-POQQGIQPSA-N 2 1 286.510 2.438 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000863481432 646739564 /nfs/dbraw/zinc/73/95/64/646739564.db2.gz DFLIGIWVTHEMBG-DLBZAZTESA-N 2 1 285.435 2.135 20 0 CEADMP [NH3+]C1(C[NH2+][C@H]2CCSc3c(F)cccc32)CCOCC1 ZINC000863541882 646751067 /nfs/dbraw/zinc/75/10/67/646751067.db2.gz QSOMAUCEUDNMPU-ZDUSSCGKSA-N 2 1 296.411 2.460 20 0 CEADMP C[N@@H+](Cc1cc(CO)ccc1F)C1CCC([NH3+])CC1 ZINC000863542640 646752257 /nfs/dbraw/zinc/75/22/57/646752257.db2.gz RIOGGTAFHVNQON-UHFFFAOYSA-N 2 1 266.360 2.020 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc3c(c1)COC3)C2 ZINC000863560767 646756966 /nfs/dbraw/zinc/75/69/66/646756966.db2.gz QSDZFXPXKUMQDX-CALCHBBNSA-N 2 1 272.392 2.148 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc3c(c1)COC3)C2 ZINC000863560767 646756969 /nfs/dbraw/zinc/75/69/69/646756969.db2.gz QSDZFXPXKUMQDX-CALCHBBNSA-N 2 1 272.392 2.148 20 0 CEADMP Cc1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])c(-c2ccnn2C)c1 ZINC000863651727 646777003 /nfs/dbraw/zinc/77/70/03/646777003.db2.gz LILXJWQEDYEZSZ-CYBMUJFWSA-N 2 1 272.396 2.175 20 0 CEADMP Cc1ccc(C[N@H+](C)C[C@@H](C)[NH3+])c(-c2ccnn2C)c1 ZINC000863651727 646777006 /nfs/dbraw/zinc/77/70/06/646777006.db2.gz LILXJWQEDYEZSZ-CYBMUJFWSA-N 2 1 272.396 2.175 20 0 CEADMP Cc1ccccc1C[C@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000773933194 646787698 /nfs/dbraw/zinc/78/76/98/646787698.db2.gz AZHCEDSZSQKLMB-FUHWJXTLSA-N 2 1 290.451 2.315 20 0 CEADMP Cc1ccccc1C[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000773933194 646787700 /nfs/dbraw/zinc/78/77/00/646787700.db2.gz AZHCEDSZSQKLMB-FUHWJXTLSA-N 2 1 290.451 2.315 20 0 CEADMP CCC(CC)NC(=[NH2+])NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000864465173 647019406 /nfs/dbraw/zinc/01/94/06/647019406.db2.gz QUVQVIRMGODSJP-AWEZNQCLSA-N 2 1 266.433 2.306 20 0 CEADMP C[C@@H](CCO)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000779396849 647319285 /nfs/dbraw/zinc/31/92/85/647319285.db2.gz QZGPSCCDUMIAFK-KBPBESRZSA-N 2 1 282.453 2.321 20 0 CEADMP C[C@@H](CCO)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000779396849 647319288 /nfs/dbraw/zinc/31/92/88/647319288.db2.gz QZGPSCCDUMIAFK-KBPBESRZSA-N 2 1 282.453 2.321 20 0 CEADMP C[N@@H+]1CC=C(CNc2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865659466 647410949 /nfs/dbraw/zinc/41/09/49/647410949.db2.gz NMBUBCUTHVVWTN-UHFFFAOYSA-N 2 1 271.286 2.196 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CC1(C)OCCO1 ZINC000865673327 647417854 /nfs/dbraw/zinc/41/78/54/647417854.db2.gz YSGXVEHMTSMOCI-KBPBESRZSA-N 2 1 284.444 2.238 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000865688349 647423148 /nfs/dbraw/zinc/42/31/48/647423148.db2.gz ANDPUVXKLIOCJG-SECBINFHSA-N 2 1 282.269 2.146 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000865777858 647460367 /nfs/dbraw/zinc/46/03/67/647460367.db2.gz MQLRJBFLYXYZEK-OAHLLOKOSA-N 2 1 289.423 2.444 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC3(CO2)CCOCC3)CC1(C)C ZINC000865778185 647461336 /nfs/dbraw/zinc/46/13/36/647461336.db2.gz GUPCXMZAYYJJQQ-LSDHHAIUSA-N 2 1 296.455 2.035 20 0 CEADMP Cc1cc(NC[C@H]2c3ccccc3C[N@@H+]2C)cc[nH+]1 ZINC000866193393 647658354 /nfs/dbraw/zinc/65/83/54/647658354.db2.gz CLYSJGYNQYHXPN-INIZCTEOSA-N 2 1 253.349 2.411 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000783242993 647699791 /nfs/dbraw/zinc/69/97/91/647699791.db2.gz IUQNJBUJNULQCQ-LAVFITLUSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000783242993 647699793 /nfs/dbraw/zinc/69/97/93/647699793.db2.gz IUQNJBUJNULQCQ-LAVFITLUSA-N 2 1 288.435 2.258 20 0 CEADMP CC(=O)Nc1cccc2c1C[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000866684297 647868566 /nfs/dbraw/zinc/86/85/66/647868566.db2.gz LCBMCZYGBVQGSD-CQSZACIVSA-N 2 1 287.407 2.003 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702647 647874858 /nfs/dbraw/zinc/87/48/58/647874858.db2.gz DEBVWWXKMSCRNX-GUYCJALGSA-N 2 1 297.487 2.377 20 0 CEADMP C/C=C(\CC)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000788767948 648221611 /nfs/dbraw/zinc/22/16/11/648221611.db2.gz BLCBJDXKRQWFRA-KBHCHJSJSA-N 2 1 295.471 2.217 20 0 CEADMP C[NH+](C)CCCOC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC000792106736 648608957 /nfs/dbraw/zinc/60/89/57/648608957.db2.gz XURMMFIPWWELFM-UHFFFAOYSA-N 2 1 270.417 2.134 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870871529 648938647 /nfs/dbraw/zinc/93/86/47/648938647.db2.gz DIKDWRNOQDSFKU-IYBDPMFKSA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)[NH+](C)C ZINC000871795480 649188632 /nfs/dbraw/zinc/18/86/32/649188632.db2.gz QZQYCTHVNWFESB-WVMKXHBISA-N 2 1 278.400 2.326 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872021601 649243369 /nfs/dbraw/zinc/24/33/69/649243369.db2.gz CVNSFGXJHHKZRU-LSDHHAIUSA-N 2 1 286.460 2.138 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC1 ZINC000872123493 649284256 /nfs/dbraw/zinc/28/42/56/649284256.db2.gz RHQMDSDWAIFIKK-UHFFFAOYSA-N 2 1 289.379 2.496 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC000872141669 649290480 /nfs/dbraw/zinc/29/04/80/649290480.db2.gz NGHWNVRIKLWPEE-KGLIPLIRSA-N 2 1 254.418 2.251 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1C ZINC000873208440 649589546 /nfs/dbraw/zinc/58/95/46/649589546.db2.gz NPCXNGTVOVVMPM-CHWSQXEVSA-N 2 1 293.480 2.308 20 0 CEADMP CCN1C[C@@H](C)[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1C ZINC000873208440 649589547 /nfs/dbraw/zinc/58/95/47/649589547.db2.gz NPCXNGTVOVVMPM-CHWSQXEVSA-N 2 1 293.480 2.308 20 0 CEADMP CCN1C[C@@H](C)[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1C ZINC000873208440 649589549 /nfs/dbraw/zinc/58/95/49/649589549.db2.gz NPCXNGTVOVVMPM-CHWSQXEVSA-N 2 1 293.480 2.308 20 0 CEADMP C[C@H]1C[C@@H](N(C)Cc2cc3c(s2)CC[NH2+]C3)CC[N@H+]1C ZINC000873208361 649590027 /nfs/dbraw/zinc/59/00/27/649590027.db2.gz UTFLIPOYSLJKTG-JSGCOSHPSA-N 2 1 293.480 2.308 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)CCN1C ZINC000873208361 649590033 /nfs/dbraw/zinc/59/00/33/649590033.db2.gz UTFLIPOYSLJKTG-JSGCOSHPSA-N 2 1 293.480 2.308 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)CCN1C ZINC000873208361 649590036 /nfs/dbraw/zinc/59/00/36/649590036.db2.gz UTFLIPOYSLJKTG-JSGCOSHPSA-N 2 1 293.480 2.308 20 0 CEADMP CC(C)[C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)CC[N@H+]1C ZINC000873221427 649595887 /nfs/dbraw/zinc/59/58/87/649595887.db2.gz JVTZYLJUZXCVGU-OAHLLOKOSA-N 2 1 293.480 2.166 20 0 CEADMP CC(C)[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCN1C ZINC000873221427 649595890 /nfs/dbraw/zinc/59/58/90/649595890.db2.gz JVTZYLJUZXCVGU-OAHLLOKOSA-N 2 1 293.480 2.166 20 0 CEADMP CC(C)[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCN1C ZINC000873221427 649595892 /nfs/dbraw/zinc/59/58/92/649595892.db2.gz JVTZYLJUZXCVGU-OAHLLOKOSA-N 2 1 293.480 2.166 20 0 CEADMP Cc1ccc(CCC[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cn1 ZINC000873231661 649602549 /nfs/dbraw/zinc/60/25/49/649602549.db2.gz QOMAOBQSKFHYOW-HOTGVXAUSA-N 2 1 259.397 2.197 20 0 CEADMP CC(C)(C)NCC[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873231072 649602949 /nfs/dbraw/zinc/60/29/49/649602949.db2.gz GBKIJLRZAIOAPM-CQSZACIVSA-N 2 1 267.461 2.277 20 0 CEADMP CC(C)([NH3+])C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231816 649603084 /nfs/dbraw/zinc/60/30/84/649603084.db2.gz DRFLSBYRECHEQG-UKRRQHHQSA-N 3 1 267.461 2.343 20 0 CEADMP CC(C)([NH3+])CN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231816 649603085 /nfs/dbraw/zinc/60/30/85/649603085.db2.gz DRFLSBYRECHEQG-UKRRQHHQSA-N 2 1 267.461 2.343 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@@H]1CCCC[NH2+]1 ZINC000873281670 649623744 /nfs/dbraw/zinc/62/37/44/649623744.db2.gz OIXKICCCDWHROZ-YYFQZIEXSA-N 2 1 252.402 2.064 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@@H]1CCC[NH2+]1 ZINC000873281709 649624016 /nfs/dbraw/zinc/62/40/16/649624016.db2.gz PCXOHHOFVHRWQX-YYFQZIEXSA-N 2 1 252.402 2.064 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000873282694 649624803 /nfs/dbraw/zinc/62/48/03/649624803.db2.gz LGXQTEPGMBJSKC-OLZOCXBDSA-N 2 1 288.420 2.422 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878549079 651126900 /nfs/dbraw/zinc/12/69/00/651126900.db2.gz AAWAWBNXVPEBJB-HRCADAONSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878549079 651126902 /nfs/dbraw/zinc/12/69/02/651126902.db2.gz AAWAWBNXVPEBJB-HRCADAONSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CC3(CCC3)CO1)C2 ZINC000878663115 651157363 /nfs/dbraw/zinc/15/73/63/651157363.db2.gz VLTKEYSNHHRJGJ-NVXWUHKLSA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CC3(CCC3)CO1)C2 ZINC000878663115 651157364 /nfs/dbraw/zinc/15/73/64/651157364.db2.gz VLTKEYSNHHRJGJ-NVXWUHKLSA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CC3(CCC3)CO1)C2 ZINC000878663115 651157367 /nfs/dbraw/zinc/15/73/67/651157367.db2.gz VLTKEYSNHHRJGJ-NVXWUHKLSA-N 2 1 278.440 2.363 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOc3cccc(F)c3)CC[C@@H]21 ZINC000879573523 651324889 /nfs/dbraw/zinc/32/48/89/651324889.db2.gz YIBKHKRSAVLGTK-CJNGLKHVSA-N 2 1 278.371 2.231 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCOc3cccc(F)c3)CC[C@@H]21 ZINC000879573523 651324890 /nfs/dbraw/zinc/32/48/90/651324890.db2.gz YIBKHKRSAVLGTK-CJNGLKHVSA-N 2 1 278.371 2.231 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCOc3cccc(F)c3)CC[C@@H]21 ZINC000879573523 651324891 /nfs/dbraw/zinc/32/48/91/651324891.db2.gz YIBKHKRSAVLGTK-CJNGLKHVSA-N 2 1 278.371 2.231 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3cccc(F)c3)CC[C@@H]21 ZINC000879573523 651324892 /nfs/dbraw/zinc/32/48/92/651324892.db2.gz YIBKHKRSAVLGTK-CJNGLKHVSA-N 2 1 278.371 2.231 20 0 CEADMP CC(C)C[N@@H+](C[C@@H]1COC(C)(C)O1)CC1CC[NH+](C)CC1 ZINC000879703281 651341691 /nfs/dbraw/zinc/34/16/91/651341691.db2.gz GUJUWPAXQBJWBN-MRXNPFEDSA-N 2 1 298.471 2.438 20 0 CEADMP Cc1csc([C@H]2CC[N@H+](CCn3cc[nH+]c3C)C2)n1 ZINC000880010469 651374180 /nfs/dbraw/zinc/37/41/80/651374180.db2.gz ZXOOCAOACRXNOB-ZDUSSCGKSA-N 2 1 276.409 2.446 20 0 CEADMP Cc1csc([C@H]2CC[N@@H+](CCn3cc[nH+]c3C)C2)n1 ZINC000880010469 651374181 /nfs/dbraw/zinc/37/41/81/651374181.db2.gz ZXOOCAOACRXNOB-ZDUSSCGKSA-N 2 1 276.409 2.446 20 0 CEADMP CCC1([NH+]2CCCCC2)CC[NH+](CCC(=O)OC)CC1 ZINC000880256470 651410852 /nfs/dbraw/zinc/41/08/52/651410852.db2.gz JQIBDGSCUQQEDC-UHFFFAOYSA-N 2 1 282.428 2.280 20 0 CEADMP CCOC[C@H](O)C[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880256494 651410855 /nfs/dbraw/zinc/41/08/55/651410855.db2.gz KATRQXGQWPLGBY-MRXNPFEDSA-N 2 1 298.471 2.114 20 0 CEADMP C[C@H]1C[N@@H+](CC[C@H]2CCOC2)CCN1c1cc[nH+]cc1 ZINC000880258317 651411055 /nfs/dbraw/zinc/41/10/55/651411055.db2.gz FUMNDZOQEURTSQ-GJZGRUSLSA-N 2 1 275.396 2.019 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[C@H]2CCOC2)CCN1c1cc[nH+]cc1 ZINC000880259297 651411735 /nfs/dbraw/zinc/41/17/35/651411735.db2.gz PJQUAUWZACQMFX-CVEARBPZSA-N 2 1 289.423 2.409 20 0 CEADMP C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)CCN1c1cc[nH+]cc1 ZINC000880259491 651411751 /nfs/dbraw/zinc/41/17/51/651411751.db2.gz UNMMSLCLYNGITI-OCCSQVGLSA-N 2 1 297.349 2.016 20 0 CEADMP C[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CCN1c1cc[nH+]cc1 ZINC000880259491 651411752 /nfs/dbraw/zinc/41/17/52/651411752.db2.gz UNMMSLCLYNGITI-OCCSQVGLSA-N 2 1 297.349 2.016 20 0 CEADMP CCO[C@@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)C1CC1 ZINC000880259141 651411807 /nfs/dbraw/zinc/41/18/07/651411807.db2.gz NHALJQGGKNRACP-PBHICJAKSA-N 2 1 289.423 2.407 20 0 CEADMP CC(C)C(=O)CC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261408 651412140 /nfs/dbraw/zinc/41/21/40/651412140.db2.gz VQRAQWYJCWBNAU-AWEZNQCLSA-N 2 1 275.396 2.207 20 0 CEADMP C[C@@H](c1cnccn1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261879 651412670 /nfs/dbraw/zinc/41/26/70/651412670.db2.gz ZMBQXGMLMMMIOI-KBPBESRZSA-N 2 1 283.379 2.143 20 0 CEADMP C[C@@H](c1cnccn1)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261879 651412672 /nfs/dbraw/zinc/41/26/72/651412672.db2.gz ZMBQXGMLMMMIOI-KBPBESRZSA-N 2 1 283.379 2.143 20 0 CEADMP CC1([NH+]2CCC2)CC[NH+](CCc2ccccn2)CC1 ZINC000880470054 651446473 /nfs/dbraw/zinc/44/64/73/651446473.db2.gz GQMYRKHBIXBFOV-UHFFFAOYSA-N 2 1 259.397 2.184 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC000880568814 651461561 /nfs/dbraw/zinc/46/15/61/651461561.db2.gz DDOROUGQVOLVEU-KRWDZBQOSA-N 2 1 295.390 2.419 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1ccc2oc(=O)oc2c1)C1CC1 ZINC000883140633 652376794 /nfs/dbraw/zinc/37/67/94/652376794.db2.gz ZSPADHHCACLHSN-UHFFFAOYSA-N 2 1 290.363 2.350 20 0 CEADMP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H]1CCCOC1 ZINC000883353330 652438827 /nfs/dbraw/zinc/43/88/27/652438827.db2.gz SHWJJNHZRAKPMD-TZMCWYRMSA-N 2 1 297.468 2.500 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000131666698 652448900 /nfs/dbraw/zinc/44/89/00/652448900.db2.gz IOAHUDFXXHMOTD-OAHLLOKOSA-N 2 1 286.485 2.361 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C2CCC3(COC3)CC2)[C@@H]2CCC[C@H]21 ZINC000883382881 652450846 /nfs/dbraw/zinc/45/08/46/652450846.db2.gz OUVISCCSNBJWKI-HRCADAONSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC3(COC3)CC2)CC1(C)C ZINC000883382599 652450906 /nfs/dbraw/zinc/45/09/06/652450906.db2.gz JVGWXYWYVASOFA-CQSZACIVSA-N 2 1 266.429 2.408 20 0 CEADMP COC(=O)C(C)(C)C[N@@H+](CC(C)C)CC1CC[NH2+]CC1 ZINC000883412373 652460690 /nfs/dbraw/zinc/46/06/90/652460690.db2.gz ZBRZXKDCDUJWHF-UHFFFAOYSA-N 2 1 284.444 2.143 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000883427384 652465866 /nfs/dbraw/zinc/46/58/66/652465866.db2.gz QEBBSEXFPJSXTA-HZPDHXFCSA-N 2 1 296.455 2.023 20 0 CEADMP C[N@@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)C1CC([NH3+])C1 ZINC000883429530 652467055 /nfs/dbraw/zinc/46/70/55/652467055.db2.gz YAGOOLFGTVOVBN-SSHXOBKSSA-N 2 1 260.381 2.328 20 0 CEADMP FC(F)(F)OCCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000883430256 652467309 /nfs/dbraw/zinc/46/73/09/652467309.db2.gz QLBXSIDBZOMHJW-VXGBXAGGSA-N 2 1 280.334 2.377 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000883442899 652471275 /nfs/dbraw/zinc/47/12/75/652471275.db2.gz VNHDBQHCRWXDNY-MJBXVCDLSA-N 2 1 283.460 2.177 20 0 CEADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1(C[NH3+])CCCCC1 ZINC000883454932 652475622 /nfs/dbraw/zinc/47/56/22/652475622.db2.gz ONGPBSKCXKQWKS-UHFFFAOYSA-N 2 1 287.451 2.426 20 0 CEADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1(C[NH3+])CCCCC1 ZINC000883454932 652475624 /nfs/dbraw/zinc/47/56/24/652475624.db2.gz ONGPBSKCXKQWKS-UHFFFAOYSA-N 2 1 287.451 2.426 20 0 CEADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1(CN)CCCCC1 ZINC000883454932 652475625 /nfs/dbraw/zinc/47/56/25/652475625.db2.gz ONGPBSKCXKQWKS-UHFFFAOYSA-N 2 1 287.451 2.426 20 0 CEADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1(CN)CCCCC1 ZINC000883454932 652475629 /nfs/dbraw/zinc/47/56/29/652475629.db2.gz ONGPBSKCXKQWKS-UHFFFAOYSA-N 2 1 287.451 2.426 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884191276 652746899 /nfs/dbraw/zinc/74/68/99/652746899.db2.gz ZPRTYSKDAXALGR-CABCVRRESA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)c1[nH+]ccn1CCNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884195836 652748721 /nfs/dbraw/zinc/74/87/21/652748721.db2.gz AOHVDHJPBHWZHL-ZDUSSCGKSA-N 2 1 294.443 2.132 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)C1 ZINC000884219520 652755682 /nfs/dbraw/zinc/75/56/82/652755682.db2.gz RAKBJHVTSOFPQA-GJZGRUSLSA-N 2 1 297.487 2.090 20 0 CEADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884322384 652795142 /nfs/dbraw/zinc/79/51/42/652795142.db2.gz LUHCOLQCVJQEJS-AWEZNQCLSA-N 2 1 294.443 2.050 20 0 CEADMP Cc1cc(N2CCN(c3cc[nH+]cc3)C[C@H]2C)nc(C)[nH+]1 ZINC000884855370 652975075 /nfs/dbraw/zinc/97/50/75/652975075.db2.gz DXEIXSIQEBJCER-CYBMUJFWSA-N 2 1 283.379 2.204 20 0 CEADMP Cc1[nH+]c(N2C[C@H](C)[N@H+](C)C[C@H]2C)cc2[nH]ccc21 ZINC001164637674 719227837 /nfs/dbraw/zinc/22/78/37/719227837.db2.gz MGZGXKLUGGEVBL-WDEREUQCSA-N 2 1 258.369 2.400 20 0 CEADMP C[NH+](C)CC1CCN(c2ccc3c([nH+]2)CCC3)CC1 ZINC001165041758 721944353 /nfs/dbraw/zinc/94/43/53/721944353.db2.gz KHJHCITYSZARDI-UHFFFAOYSA-N 2 1 259.397 2.348 20 0 CEADMP CC[N@@H+](CCC(=O)OC)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168003806 805646868 /nfs/dbraw/zinc/64/68/68/805646868.db2.gz REOBOECRMNRBDZ-XYPWUTKMSA-N 2 1 294.439 2.277 20 0 CEADMP CC[NH+](CCC(=O)OC)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003806 805646872 /nfs/dbraw/zinc/64/68/72/805646872.db2.gz REOBOECRMNRBDZ-XYPWUTKMSA-N 2 1 294.439 2.277 20 0 CEADMP CC[NH+](CCC(=O)OC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168003806 805646876 /nfs/dbraw/zinc/64/68/76/805646876.db2.gz REOBOECRMNRBDZ-XYPWUTKMSA-N 2 1 294.439 2.277 20 0 CEADMP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)C(C)(F)F ZINC000696586421 805671202 /nfs/dbraw/zinc/67/12/02/805671202.db2.gz LXOQEVMQWCFEJB-WDEREUQCSA-N 2 1 264.360 2.024 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1CC ZINC001087578338 805755294 /nfs/dbraw/zinc/75/52/94/805755294.db2.gz OOTHEKPTTULSSZ-LVQVYYBASA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1CC ZINC001087578338 805755301 /nfs/dbraw/zinc/75/53/01/805755301.db2.gz OOTHEKPTTULSSZ-LVQVYYBASA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1CC ZINC001087578338 805755306 /nfs/dbraw/zinc/75/53/06/805755306.db2.gz OOTHEKPTTULSSZ-LVQVYYBASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)CCO1 ZINC001168106541 806175226 /nfs/dbraw/zinc/17/52/26/806175226.db2.gz ZKZKWINVZCDXSC-RBSFLKMASA-N 2 1 254.418 2.395 20 0 CEADMP CC(C)(O)c1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000697411426 806364373 /nfs/dbraw/zinc/36/43/73/806364373.db2.gz VWMUYIDOCFXNOZ-UHFFFAOYSA-N 2 1 262.397 2.099 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@H]1Cc2ccc(OC)cc2C1 ZINC001168230072 806424821 /nfs/dbraw/zinc/42/48/21/806424821.db2.gz HEJFOSAYZDSXPS-HNNXBMFYSA-N 2 1 262.397 2.223 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)C2 ZINC001168235466 806426144 /nfs/dbraw/zinc/42/61/44/806426144.db2.gz JOKIOBVUJKDHJL-HOTGVXAUSA-N 2 1 274.408 2.236 20 0 CEADMP CC(C)[NH2+]CC1(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168297256 806633779 /nfs/dbraw/zinc/63/37/79/806633779.db2.gz LMHWAWDZVNHAJM-GASCZTMLSA-N 2 1 295.471 2.144 20 0 CEADMP CCCC[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001042723977 806648375 /nfs/dbraw/zinc/64/83/75/806648375.db2.gz QLTCKDPHEJZDDQ-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCc3ccncc3C2)CC1 ZINC001168324913 806653686 /nfs/dbraw/zinc/65/36/86/806653686.db2.gz ZSSWLZWERGULEH-UHFFFAOYSA-N 2 1 259.397 2.313 20 0 CEADMP CC(=O)[C@@H]1CCCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168327390 806657147 /nfs/dbraw/zinc/65/71/47/806657147.db2.gz MBSKXJLNKHJBRE-NRXISQOPSA-N 2 1 252.402 2.303 20 0 CEADMP CC(C)N(C)[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168329504 806658538 /nfs/dbraw/zinc/65/85/38/806658538.db2.gz VXOCFXNARJGXRL-UYSNPLJNSA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[N@H+](C)[C@@H]1CCN(C2CCC([NH+](C)C)CC2)C1 ZINC001168329504 806658542 /nfs/dbraw/zinc/65/85/42/806658542.db2.gz VXOCFXNARJGXRL-UYSNPLJNSA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCN(C2CCC([NH+](C)C)CC2)C1 ZINC001168329504 806658549 /nfs/dbraw/zinc/65/85/49/806658549.db2.gz VXOCFXNARJGXRL-UYSNPLJNSA-N 2 1 267.461 2.274 20 0 CEADMP Cc1nnc([C@H]2CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)o1 ZINC001168329644 806658736 /nfs/dbraw/zinc/65/87/36/806658736.db2.gz YWCVNNWAZPYJLJ-NFOMZHRRSA-N 2 1 292.427 2.430 20 0 CEADMP C[NH+](C)CCCCC[NH2+]C1CCN(CC2CC2)CC1 ZINC001168353803 806674122 /nfs/dbraw/zinc/67/41/22/806674122.db2.gz UQIOBAVQNBBLBH-UHFFFAOYSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@@](CO)([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001168362992 806746262 /nfs/dbraw/zinc/74/62/62/806746262.db2.gz OSHXGNLMGGCKGV-SFHVURJKSA-N 2 1 288.435 2.358 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1F ZINC000697903762 806749278 /nfs/dbraw/zinc/74/92/78/806749278.db2.gz DUMDMBFKZKSSHA-LLVKDONJSA-N 2 1 282.359 2.042 20 0 CEADMP COCCCC[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668242533 806888796 /nfs/dbraw/zinc/88/87/96/806888796.db2.gz CWHTVMDAMCUVQG-UHFFFAOYSA-N 2 1 274.368 2.126 20 0 CEADMP Nc1cc[nH+]c2cc(N[C@@H]3CCC[N@@H+](C4COC4)C3)ccc12 ZINC001168373938 806977750 /nfs/dbraw/zinc/97/77/50/806977750.db2.gz GPOLEMWIUHHUHS-CYBMUJFWSA-N 2 1 298.390 2.092 20 0 CEADMP Nc1cc[nH+]c2cc(N[C@@H]3CCC[N@H+](C4COC4)C3)ccc12 ZINC001168373938 806977754 /nfs/dbraw/zinc/97/77/54/806977754.db2.gz GPOLEMWIUHHUHS-CYBMUJFWSA-N 2 1 298.390 2.092 20 0 CEADMP CO[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1C ZINC000300008925 802342425 /nfs/dbraw/zinc/34/24/25/802342425.db2.gz NRUHLTLUFCHTEL-SDKNFDLMSA-N 2 1 266.429 2.264 20 0 CEADMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)C[C@@H]1CCC[NH+](C)C1 ZINC001208615196 802393173 /nfs/dbraw/zinc/39/31/73/802393173.db2.gz SGELLRDBBYAZDH-ZBFHGGJFSA-N 2 1 274.408 2.264 20 0 CEADMP C[NH+](C[C@@H]1Cc2ccccc2O1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208615196 802393182 /nfs/dbraw/zinc/39/31/82/802393182.db2.gz SGELLRDBBYAZDH-ZBFHGGJFSA-N 2 1 274.408 2.264 20 0 CEADMP C[NH+](C[C@@H]1Cc2ccccc2O1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208615196 802393190 /nfs/dbraw/zinc/39/31/90/802393190.db2.gz SGELLRDBBYAZDH-ZBFHGGJFSA-N 2 1 274.408 2.264 20 0 CEADMP COCOCCC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001209030212 802457728 /nfs/dbraw/zinc/45/77/28/802457728.db2.gz SLSDZUONLMAEPX-INIZCTEOSA-N 2 1 284.444 2.337 20 0 CEADMP CCOC(=O)c1ccccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206811945 802487782 /nfs/dbraw/zinc/48/77/82/802487782.db2.gz XBZTUFMFEVSZQI-ZIAGYGMSSA-N 2 1 290.407 2.423 20 0 CEADMP CCOC(=O)c1ccccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206811945 802487784 /nfs/dbraw/zinc/48/77/84/802487784.db2.gz XBZTUFMFEVSZQI-ZIAGYGMSSA-N 2 1 290.407 2.423 20 0 CEADMP C[C@@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)C[C@@]1(C)O ZINC001209846973 802575898 /nfs/dbraw/zinc/57/58/98/802575898.db2.gz ZWGWQNDRNJMOFZ-GDBMZVCRSA-N 2 1 268.445 2.392 20 0 CEADMP C[NH+]1CC[C@H](c2ccc(N[C@H]3CC[N@H+](C)C3)cc2)C1 ZINC001167284890 802637214 /nfs/dbraw/zinc/63/72/14/802637214.db2.gz XQVGGKOXCXPUEW-HOCLYGCPSA-N 2 1 259.397 2.222 20 0 CEADMP C[NH+]1CC[C@H](Nc2ccc([C@H]3CC[N@H+](C)C3)cc2)C1 ZINC001167284890 802637216 /nfs/dbraw/zinc/63/72/16/802637216.db2.gz XQVGGKOXCXPUEW-HOCLYGCPSA-N 2 1 259.397 2.222 20 0 CEADMP C[NH+]1CC[C@H](Nc2ccc([C@H]3CC[N@@H+](C)C3)cc2)C1 ZINC001167284890 802637219 /nfs/dbraw/zinc/63/72/19/802637219.db2.gz XQVGGKOXCXPUEW-HOCLYGCPSA-N 2 1 259.397 2.222 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)CC1 ZINC000397714946 802699292 /nfs/dbraw/zinc/69/92/92/802699292.db2.gz FYQNXGGOPIDBNC-CQSZACIVSA-N 2 1 299.459 2.365 20 0 CEADMP CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001266614525 802778637 /nfs/dbraw/zinc/77/86/37/802778637.db2.gz IBDRJYQDHCHVMO-JYJNAYRXSA-N 2 1 295.471 2.145 20 0 CEADMP C[NH2+]Cc1cccc(Nc2c(N)cc[nH+]c2OC)c1 ZINC001211137858 802784515 /nfs/dbraw/zinc/78/45/15/802784515.db2.gz VAXHXAQBVQGIMI-UHFFFAOYSA-N 2 1 258.325 2.135 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)C[C@@H]1C[NH3+] ZINC000721472386 802845363 /nfs/dbraw/zinc/84/53/63/802845363.db2.gz DBMIQLMDCIRFKJ-MOLYVOAJSA-N 2 1 294.361 2.402 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC)C1 ZINC001086530552 811839582 /nfs/dbraw/zinc/83/95/82/811839582.db2.gz FFIQGACTILBGCS-JYJNAYRXSA-N 2 1 295.471 2.145 20 0 CEADMP CCCCCC[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000398955616 802927119 /nfs/dbraw/zinc/92/71/19/802927119.db2.gz HRDPUZQDZFELGX-AWEZNQCLSA-N 2 1 256.434 2.392 20 0 CEADMP Cc1cc(C)nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000723845253 802947150 /nfs/dbraw/zinc/94/71/50/802947150.db2.gz GNTZCJWYIBRABV-NUEKZKHPSA-N 2 1 259.397 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)O2)C[C@H]1CC[NH3+] ZINC000723881860 802963016 /nfs/dbraw/zinc/96/30/16/802963016.db2.gz CMWBGPIBJUYHEA-MGPQQGTHSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc(-c3ccsc3)no2)C[C@H]1CC[NH3+] ZINC000723890744 802965253 /nfs/dbraw/zinc/96/52/53/802965253.db2.gz HHDMEKYAMNAITJ-GHMZBOCLSA-N 2 1 292.408 2.215 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1CC[NH3+] ZINC000723903172 802966469 /nfs/dbraw/zinc/96/64/69/802966469.db2.gz UACZJTNWYWONKM-ZYHUDNBSSA-N 2 1 265.426 2.437 20 0 CEADMP CC(C)c1cnc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000723900279 802966804 /nfs/dbraw/zinc/96/68/04/802966804.db2.gz JYDCVQJJJZMJNN-VXGBXAGGSA-N 2 1 251.374 2.215 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000724000443 802992837 /nfs/dbraw/zinc/99/28/37/802992837.db2.gz RRHZHRVUQRPHID-GOEBONIOSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000403545177 803023873 /nfs/dbraw/zinc/02/38/73/803023873.db2.gz AHHITNJRLJOXFG-RLAWYHOSSA-N 2 1 254.443 2.344 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001167598249 803181616 /nfs/dbraw/zinc/18/16/16/803181616.db2.gz FKQFCEADAOGUKC-MRXNPFEDSA-N 2 1 296.455 2.384 20 0 CEADMP CCOC(=O)CCCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001167598249 803181619 /nfs/dbraw/zinc/18/16/19/803181619.db2.gz FKQFCEADAOGUKC-MRXNPFEDSA-N 2 1 296.455 2.384 20 0 CEADMP CC(C)=CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001267220910 803245831 /nfs/dbraw/zinc/24/58/31/803245831.db2.gz LTXKZGAEIQNFOY-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[NH+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001267220910 803245835 /nfs/dbraw/zinc/24/58/35/803245835.db2.gz LTXKZGAEIQNFOY-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[NH+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267220910 803245839 /nfs/dbraw/zinc/24/58/39/803245839.db2.gz LTXKZGAEIQNFOY-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)CCC2)C1(C[NH3+])CCOCC1 ZINC000725058441 803413543 /nfs/dbraw/zinc/41/35/43/803413543.db2.gz VDWFQJVRIIOIIF-UHFFFAOYSA-N 2 1 274.408 2.115 20 0 CEADMP Cc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)[nH]n1 ZINC001116017741 814765112 /nfs/dbraw/zinc/76/51/12/814765112.db2.gz ZRVZULMYELDLEN-UHFFFAOYSA-N 2 1 250.390 2.117 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC ZINC001267534144 803531995 /nfs/dbraw/zinc/53/19/95/803531995.db2.gz SZQSCXAHPMSIFU-IYBDPMFKSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC ZINC001267534144 803531996 /nfs/dbraw/zinc/53/19/96/803531996.db2.gz SZQSCXAHPMSIFU-IYBDPMFKSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC ZINC001267534144 803532002 /nfs/dbraw/zinc/53/20/02/803532002.db2.gz SZQSCXAHPMSIFU-IYBDPMFKSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001267594267 803580720 /nfs/dbraw/zinc/58/07/20/803580720.db2.gz BYJLNKMLUGHNQY-MRXNPFEDSA-N 2 1 295.471 2.123 20 0 CEADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001267594267 803580723 /nfs/dbraw/zinc/58/07/23/803580723.db2.gz BYJLNKMLUGHNQY-MRXNPFEDSA-N 2 1 295.471 2.123 20 0 CEADMP CC[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001267594267 803580727 /nfs/dbraw/zinc/58/07/27/803580727.db2.gz BYJLNKMLUGHNQY-MRXNPFEDSA-N 2 1 295.471 2.123 20 0 CEADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1)[NH+](C)C ZINC001267732260 803681668 /nfs/dbraw/zinc/68/16/68/803681668.db2.gz KVSIJCPMQCCIDG-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC1=CCCCC1 ZINC001267800498 803742141 /nfs/dbraw/zinc/74/21/41/803742141.db2.gz OXKOBLWXMDRNTQ-JKSUJKDBSA-N 2 1 293.455 2.065 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000396696422 803750823 /nfs/dbraw/zinc/75/08/23/803750823.db2.gz JPGZBAPSVGCRNG-ZFWWWQNUSA-N 2 1 254.418 2.456 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715385583 814963658 /nfs/dbraw/zinc/96/36/58/814963658.db2.gz KQGDIIZBFVVEPN-LSDHHAIUSA-N 2 1 254.418 2.395 20 0 CEADMP C[N@@H+](C[C@@H]1CC[C@H](C2CC2)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000715539193 814973954 /nfs/dbraw/zinc/97/39/54/814973954.db2.gz YJBRWPFAFRQEOP-BLNMRFBMSA-N 2 1 264.413 2.159 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)sn1 ZINC000715551830 814979061 /nfs/dbraw/zinc/97/90/61/814979061.db2.gz KICCLKZDIRJVSW-NEPJUHHUSA-N 2 1 253.415 2.414 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000125537518 804096108 /nfs/dbraw/zinc/09/61/08/804096108.db2.gz KGFGAXCBJLZMHC-ZDUSSCGKSA-N 2 1 255.365 2.406 20 0 CEADMP OCCCCCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692873893 804285431 /nfs/dbraw/zinc/28/54/31/804285431.db2.gz SJXAAOQLSYHYOO-INIZCTEOSA-N 2 1 268.445 2.251 20 0 CEADMP ClC1(Cl)C[C@H]1CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000399440244 804369169 /nfs/dbraw/zinc/36/91/69/804369169.db2.gz VMZZWPHYZDQNPT-GHMZBOCLSA-N 2 1 263.212 2.256 20 0 CEADMP ClC1(Cl)C[C@H]1CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000399440244 804369179 /nfs/dbraw/zinc/36/91/79/804369179.db2.gz VMZZWPHYZDQNPT-GHMZBOCLSA-N 2 1 263.212 2.256 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2ncncc2C1 ZINC001167824159 804378930 /nfs/dbraw/zinc/37/89/30/804378930.db2.gz CAKJPXMJAOYAQW-CQSZACIVSA-N 2 1 276.428 2.345 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@](C)(O)C1 ZINC001167823923 804379471 /nfs/dbraw/zinc/37/94/71/804379471.db2.gz ALEWVLCLAJLELY-LSDHHAIUSA-N 2 1 256.434 2.344 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1cnccn1 ZINC001167825418 804383899 /nfs/dbraw/zinc/38/38/99/804383899.db2.gz IRKVYEDKMRZOFK-CQSZACIVSA-N 2 1 264.417 2.419 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001167836823 804430253 /nfs/dbraw/zinc/43/02/53/804430253.db2.gz HQNYNZWKPSSYEW-JKSUJKDBSA-N 2 1 293.459 2.426 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](C(=O)OC)C1 ZINC001167837207 804431465 /nfs/dbraw/zinc/43/14/65/804431465.db2.gz JGBWSAAURZLUMW-CABCVRRESA-N 2 1 284.444 2.382 20 0 CEADMP CN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167898259 804593550 /nfs/dbraw/zinc/59/35/50/804593550.db2.gz QYKGITDGYSXARS-BWTSREIZSA-N 2 1 299.462 2.322 20 0 CEADMP CC/C=C\CCN1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001268326613 804611295 /nfs/dbraw/zinc/61/12/95/804611295.db2.gz GLTZLBCGSJTUOP-YIEVGGLXSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[NH+]1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001268326613 804611299 /nfs/dbraw/zinc/61/12/99/804611299.db2.gz GLTZLBCGSJTUOP-YIEVGGLXSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[NH+]1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001268326613 804611303 /nfs/dbraw/zinc/61/13/03/804611303.db2.gz GLTZLBCGSJTUOP-YIEVGGLXSA-N 2 1 293.455 2.018 20 0 CEADMP CCCCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001268332963 804613016 /nfs/dbraw/zinc/61/30/16/804613016.db2.gz XDBJKXPSBKJBQV-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001268332963 804613021 /nfs/dbraw/zinc/61/30/21/804613021.db2.gz XDBJKXPSBKJBQV-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCCC[C@H]1c1ccc(NC(=N)SCC[NH3+])nc1 ZINC001167914698 804697352 /nfs/dbraw/zinc/69/73/52/804697352.db2.gz ZBZOJMJTUWVLQO-LBPRGKRZSA-N 2 1 293.440 2.277 20 0 CEADMP CCN(CC[NH2+]CC(C)C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268482452 804736550 /nfs/dbraw/zinc/73/65/50/804736550.db2.gz RKRRIHJJZAVDEW-MRXNPFEDSA-N 2 1 297.487 2.343 20 0 CEADMP CO[C@H]1C[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C12CCC2 ZINC000453254748 804742399 /nfs/dbraw/zinc/74/23/99/804742399.db2.gz PREOFTVHJVCHMZ-IHRRRGAJSA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@H]1C[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C12CCC2 ZINC000453254748 804742403 /nfs/dbraw/zinc/74/24/03/804742403.db2.gz PREOFTVHJVCHMZ-IHRRRGAJSA-N 2 1 254.418 2.262 20 0 CEADMP CC(C)CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268555839 804819461 /nfs/dbraw/zinc/81/94/61/804819461.db2.gz LKBPYFANDPJMRS-KJPDOMRESA-N 2 1 295.471 2.169 20 0 CEADMP CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001028579562 804847442 /nfs/dbraw/zinc/84/74/42/804847442.db2.gz GXVLOWBUMKFPOP-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001028579562 804847449 /nfs/dbraw/zinc/84/74/49/804847449.db2.gz GXVLOWBUMKFPOP-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001028579562 804847457 /nfs/dbraw/zinc/84/74/57/804847457.db2.gz GXVLOWBUMKFPOP-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268664593 804918339 /nfs/dbraw/zinc/91/83/39/804918339.db2.gz NONWXMJVERTVHY-CVEARBPZSA-N 2 1 295.471 2.310 20 0 CEADMP C[NH+]1CCC2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)CC1 ZINC001168387600 807044439 /nfs/dbraw/zinc/04/44/39/807044439.db2.gz MANCMMOXKXCYAI-UHFFFAOYSA-N 3 1 291.483 2.279 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C3CCN(CC4CC4)CC3)C2)CC1 ZINC001168387600 807044442 /nfs/dbraw/zinc/04/44/42/807044442.db2.gz MANCMMOXKXCYAI-UHFFFAOYSA-N 2 1 291.483 2.279 20 0 CEADMP C[NH+]1CCC2(CC[N@H+](C3CCN(CC4CC4)CC3)C2)CC1 ZINC001168387600 807044451 /nfs/dbraw/zinc/04/44/51/807044451.db2.gz MANCMMOXKXCYAI-UHFFFAOYSA-N 2 1 291.483 2.279 20 0 CEADMP FCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167959407 805301777 /nfs/dbraw/zinc/30/17/77/805301777.db2.gz OPZHHZHHDDOTQX-AGUYFDCRSA-N 2 1 252.377 2.484 20 0 CEADMP FCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167959407 805301785 /nfs/dbraw/zinc/30/17/85/805301785.db2.gz OPZHHZHHDDOTQX-AGUYFDCRSA-N 2 1 252.377 2.484 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721780071 805410450 /nfs/dbraw/zinc/41/04/50/805410450.db2.gz XCSWBXBRDNQTGL-CRWXNKLISA-N 2 1 254.418 2.310 20 0 CEADMP CCOC(=O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964482 805449383 /nfs/dbraw/zinc/44/93/83/805449383.db2.gz QXUHEEXGAOAIEO-WWTUQBGBSA-N 2 1 294.439 2.323 20 0 CEADMP CCOC(=O)[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167972788 805502617 /nfs/dbraw/zinc/50/26/17/805502617.db2.gz BNNVQXSEAWKSSW-OHRKKDJYSA-N 2 1 294.439 2.181 20 0 CEADMP CC[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973119 805503746 /nfs/dbraw/zinc/50/37/46/805503746.db2.gz HEUNIRVDXGYQOY-HNSVSWJLSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(C)(C)O ZINC001167977907 805512695 /nfs/dbraw/zinc/51/26/95/805512695.db2.gz IZCFGUFTXATYTA-JZIBPQBNSA-N 2 1 266.429 2.141 20 0 CEADMP [NH3+]CCCc1nccn1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981901 805515590 /nfs/dbraw/zinc/51/55/90/805515590.db2.gz OSGUUQFBTCPXMZ-XYPWUTKMSA-N 3 1 288.439 2.352 20 0 CEADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@]1(C)O ZINC001167984767 805536687 /nfs/dbraw/zinc/53/66/87/805536687.db2.gz RDZMQACZHUPCTB-UXRNWYHQSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@]1(C)O ZINC001167984767 805536691 /nfs/dbraw/zinc/53/66/91/805536691.db2.gz RDZMQACZHUPCTB-UXRNWYHQSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@]1(C)O ZINC001167984767 805536696 /nfs/dbraw/zinc/53/66/96/805536696.db2.gz RDZMQACZHUPCTB-UXRNWYHQSA-N 2 1 292.467 2.485 20 0 CEADMP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCSCC1)C2 ZINC001167986195 805546800 /nfs/dbraw/zinc/54/68/00/805546800.db2.gz AXSMQRUEGLTHQH-YIONKMFJSA-N 2 1 266.454 2.441 20 0 CEADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCSCC1)C2 ZINC001167986195 805546803 /nfs/dbraw/zinc/54/68/03/805546803.db2.gz AXSMQRUEGLTHQH-YIONKMFJSA-N 2 1 266.454 2.441 20 0 CEADMP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030026250 807003386 /nfs/dbraw/zinc/00/33/86/807003386.db2.gz RFGAGSMIVWUYGO-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030026250 807003390 /nfs/dbraw/zinc/00/33/90/807003390.db2.gz RFGAGSMIVWUYGO-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030026250 807003398 /nfs/dbraw/zinc/00/33/98/807003398.db2.gz RFGAGSMIVWUYGO-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030026250 807003405 /nfs/dbraw/zinc/00/34/05/807003405.db2.gz RFGAGSMIVWUYGO-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP C(C1CC1)[NH+]1CCC([N@H+]2CC[C@H]3CCCO[C@@H]3C2)CC1 ZINC001168378723 807023535 /nfs/dbraw/zinc/02/35/35/807023535.db2.gz RLNIAHIUEZSBQU-NVXWUHKLSA-N 2 1 278.440 2.362 20 0 CEADMP CCO[C@@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168390017 807052732 /nfs/dbraw/zinc/05/27/32/807052732.db2.gz DJLJLSNUQHMWRY-MRXNPFEDSA-N 2 1 266.429 2.362 20 0 CEADMP O=C1CCC[C@@H]2C[N@@H+](C3CC[NH+](CC4CC4)CC3)C[C@H]12 ZINC001168396027 807075334 /nfs/dbraw/zinc/07/53/34/807075334.db2.gz BMXKQOLJRYHHAE-ZBFHGGJFSA-N 2 1 276.424 2.162 20 0 CEADMP O=C1CCC[C@@H]2C[N@H+](C3CC[NH+](CC4CC4)CC3)C[C@H]12 ZINC001168396027 807075340 /nfs/dbraw/zinc/07/53/40/807075340.db2.gz BMXKQOLJRYHHAE-ZBFHGGJFSA-N 2 1 276.424 2.162 20 0 CEADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001088858239 807219695 /nfs/dbraw/zinc/21/96/95/807219695.db2.gz UOCMBSIKWYBSFA-OAGGEKHMSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1C ZINC001088858239 807219700 /nfs/dbraw/zinc/21/97/00/807219700.db2.gz UOCMBSIKWYBSFA-OAGGEKHMSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1C ZINC001088858239 807219702 /nfs/dbraw/zinc/21/97/02/807219702.db2.gz UOCMBSIKWYBSFA-OAGGEKHMSA-N 2 1 293.455 2.016 20 0 CEADMP C[C@@]1(C(F)F)C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000698844263 807437050 /nfs/dbraw/zinc/43/70/50/807437050.db2.gz QHLCMXFMLFCOCV-FLTXBFBQSA-N 2 1 288.382 2.263 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])C(C)C ZINC000721970958 807555082 /nfs/dbraw/zinc/55/50/82/807555082.db2.gz DEOHWQNBEGMISV-KKUMJFAQSA-N 2 1 256.434 2.354 20 0 CEADMP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001031044838 807617440 /nfs/dbraw/zinc/61/74/40/807617440.db2.gz FNINNDKDCGPZHI-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3cccc(O)c3n2)CC1 ZINC001205110619 807674890 /nfs/dbraw/zinc/67/48/90/807674890.db2.gz XEKWCUILWQICQT-ZDUSSCGKSA-N 2 1 271.364 2.254 20 0 CEADMP C[C@H]1CCc2nc(C[NH2+]CCC(C)(C)[NH3+])sc2C1 ZINC001119610792 815139120 /nfs/dbraw/zinc/13/91/20/815139120.db2.gz GVCVGOAAEUIULQ-JTQLQIEISA-N 2 1 267.442 2.485 20 0 CEADMP CCOc1cc(O)cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205116600 807701282 /nfs/dbraw/zinc/70/12/82/807701282.db2.gz DOGHATPOGFTZLK-ZDUSSCGKSA-N 2 1 264.369 2.104 20 0 CEADMP CCOc1cc(O)cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205116600 807701288 /nfs/dbraw/zinc/70/12/88/807701288.db2.gz DOGHATPOGFTZLK-ZDUSSCGKSA-N 2 1 264.369 2.104 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC001205130416 807734749 /nfs/dbraw/zinc/73/47/49/807734749.db2.gz DXOLARKFNRTKPA-DZGCQCFKSA-N 2 1 262.397 2.339 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000716604188 815143325 /nfs/dbraw/zinc/14/33/25/815143325.db2.gz XBIBOZXDRSCIHC-MELADBBJSA-N 2 1 252.402 2.066 20 0 CEADMP CCCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127344861 807754183 /nfs/dbraw/zinc/75/41/83/807754183.db2.gz RXYGJJCUHVFTLY-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921495861 808059703 /nfs/dbraw/zinc/05/97/03/808059703.db2.gz IPMCPYDMOCWWLE-CYBMUJFWSA-N 2 1 263.385 2.141 20 0 CEADMP c1[nH]nc2c1[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000353435899 808131794 /nfs/dbraw/zinc/13/17/94/808131794.db2.gz AJSMSJNIAYBCIZ-SGMGOOAPSA-N 2 1 260.385 2.004 20 0 CEADMP c1[nH]nc2c1[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000353435899 808131800 /nfs/dbraw/zinc/13/18/00/808131800.db2.gz AJSMSJNIAYBCIZ-SGMGOOAPSA-N 2 1 260.385 2.004 20 0 CEADMP C[N@H+]1CCC[C@H](CN([C@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001236648361 808140961 /nfs/dbraw/zinc/14/09/61/808140961.db2.gz QLDPULGAWLWFLW-RDJZCZTQSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H]1CC[C@@H](CO)[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171631630 815201480 /nfs/dbraw/zinc/20/14/80/815201480.db2.gz LGSJBVQKXHZLII-STQMWFEESA-N 2 1 268.445 2.483 20 0 CEADMP C[C@H]1C[C@@H](CO)[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171631648 815201813 /nfs/dbraw/zinc/20/18/13/815201813.db2.gz LJPNZGUUFCHSER-STQMWFEESA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205208742 808549451 /nfs/dbraw/zinc/54/94/51/808549451.db2.gz FMASERSNEQSTOL-QGZVFWFLSA-N 2 1 292.423 2.150 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc3ccccc3o2)CC1 ZINC001205221730 808627428 /nfs/dbraw/zinc/62/74/28/808627428.db2.gz XIDACPBPYBLGPD-MRXNPFEDSA-N 2 1 274.364 2.109 20 0 CEADMP CCC/C=C\CC[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171762464 815227321 /nfs/dbraw/zinc/22/73/21/815227321.db2.gz FGAGLXTYTUCPPC-FPLPWBNLSA-N 2 1 283.460 2.171 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2ncc[nH]2)C1 ZINC000353499169 808824791 /nfs/dbraw/zinc/82/47/91/808824791.db2.gz UBXXMHBQTAMCPC-QWHCGFSZSA-N 2 1 250.390 2.181 20 0 CEADMP Fc1cccc2c1C[C@H]([N@H+]1CCc3[nH+]ccn3CC1)C2 ZINC001171807136 815241688 /nfs/dbraw/zinc/24/16/88/815241688.db2.gz QCKDEZCCGVGYEJ-CYBMUJFWSA-N 2 1 271.339 2.048 20 0 CEADMP Fc1cccc2c1C[C@H]([N@@H+]1CCc3[nH+]ccn3CC1)C2 ZINC001171807136 815241691 /nfs/dbraw/zinc/24/16/91/815241691.db2.gz QCKDEZCCGVGYEJ-CYBMUJFWSA-N 2 1 271.339 2.048 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OC)C23CCC3)C1 ZINC000453100330 809036783 /nfs/dbraw/zinc/03/67/83/809036783.db2.gz RPQHRUFJDSCKIB-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000453214270 809042631 /nfs/dbraw/zinc/04/26/31/809042631.db2.gz JMYMZOVHWRFRLH-HZSPNIEDSA-N 2 1 254.418 2.264 20 0 CEADMP COc1c(F)ccc(F)c1C[NH+]1CCC(C[NH3+])CC1 ZINC001205047020 809071484 /nfs/dbraw/zinc/07/14/84/809071484.db2.gz MIKJMDXWFPDORK-UHFFFAOYSA-N 2 1 270.323 2.144 20 0 CEADMP CCCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033418638 809295304 /nfs/dbraw/zinc/29/53/04/809295304.db2.gz BPHQHUTVJUPVCC-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033418638 809295307 /nfs/dbraw/zinc/29/53/07/809295307.db2.gz BPHQHUTVJUPVCC-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033418638 809295316 /nfs/dbraw/zinc/29/53/16/809295316.db2.gz BPHQHUTVJUPVCC-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cn3ccccc3n1)C2 ZINC001172100234 815284234 /nfs/dbraw/zinc/28/42/34/815284234.db2.gz BTKSGVLOHPJLRE-MKZZRHPPSA-N 2 1 284.407 2.439 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cn3ccccc3n1)C2 ZINC001172100234 815284238 /nfs/dbraw/zinc/28/42/38/815284238.db2.gz BTKSGVLOHPJLRE-MKZZRHPPSA-N 2 1 284.407 2.439 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cn3ccccc3n1)C2 ZINC001172100234 815284243 /nfs/dbraw/zinc/28/42/43/815284243.db2.gz BTKSGVLOHPJLRE-MKZZRHPPSA-N 2 1 284.407 2.439 20 0 CEADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC001172099857 815284954 /nfs/dbraw/zinc/28/49/54/815284954.db2.gz NMXBZMHCLZKQBT-PHZGNYQRSA-N 2 1 259.397 2.495 20 0 CEADMP CC[N@H+](CC(C)(C)O)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128560 815288777 /nfs/dbraw/zinc/28/87/77/815288777.db2.gz SFALKPZZDCOXQZ-BTTYYORXSA-N 2 1 254.418 2.095 20 0 CEADMP CC[N@@H+](CC(C)(C)O)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128560 815288782 /nfs/dbraw/zinc/28/87/82/815288782.db2.gz SFALKPZZDCOXQZ-BTTYYORXSA-N 2 1 254.418 2.095 20 0 CEADMP CC[NH+](CC(C)(C)O)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128560 815288784 /nfs/dbraw/zinc/28/87/84/815288784.db2.gz SFALKPZZDCOXQZ-BTTYYORXSA-N 2 1 254.418 2.095 20 0 CEADMP CC[NH+](CC(C)(C)O)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128560 815288788 /nfs/dbraw/zinc/28/87/88/815288788.db2.gz SFALKPZZDCOXQZ-BTTYYORXSA-N 2 1 254.418 2.095 20 0 CEADMP CC[C@@H]1COCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128139 815288847 /nfs/dbraw/zinc/28/88/47/815288847.db2.gz PMWZYFKNQLRINF-KBXIAJHMSA-N 2 1 252.402 2.113 20 0 CEADMP CC[C@@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128139 815288851 /nfs/dbraw/zinc/28/88/51/815288851.db2.gz PMWZYFKNQLRINF-KBXIAJHMSA-N 2 1 252.402 2.113 20 0 CEADMP CC[C@@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128139 815288857 /nfs/dbraw/zinc/28/88/57/815288857.db2.gz PMWZYFKNQLRINF-KBXIAJHMSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H](O)c1cccc(O)c1)C2 ZINC001172104588 815295783 /nfs/dbraw/zinc/29/57/83/815295783.db2.gz DGAWKEMJJGDDKU-MPTYRVRUSA-N 2 1 290.407 2.031 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@]1(C)CCCOC1)C2 ZINC001172109573 815298406 /nfs/dbraw/zinc/29/84/06/815298406.db2.gz DUFNAGFDUYCCJN-XGUBFFRZSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@]1(C)CCCOC1)C2 ZINC001172109573 815298409 /nfs/dbraw/zinc/29/84/09/815298409.db2.gz DUFNAGFDUYCCJN-XGUBFFRZSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cnccn1 ZINC001172108873 815298442 /nfs/dbraw/zinc/29/84/42/815298442.db2.gz HESUGYSQUVCEBK-SYQHCUMBSA-N 2 1 260.385 2.143 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cnccn1 ZINC001172108873 815298445 /nfs/dbraw/zinc/29/84/45/815298445.db2.gz HESUGYSQUVCEBK-SYQHCUMBSA-N 2 1 260.385 2.143 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cnccn1 ZINC001172108873 815298448 /nfs/dbraw/zinc/29/84/48/815298448.db2.gz HESUGYSQUVCEBK-SYQHCUMBSA-N 2 1 260.385 2.143 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncc(F)c1)C2 ZINC001172108033 815298582 /nfs/dbraw/zinc/29/85/82/815298582.db2.gz OAXJHGHTYJDWDR-QDMKHBRRSA-N 2 1 263.360 2.326 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@]1(C)CCOC1)C2 ZINC001172109476 815299070 /nfs/dbraw/zinc/29/90/70/815299070.db2.gz HALAIYAAMGHPBA-XGUBFFRZSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034288340 809572999 /nfs/dbraw/zinc/57/29/99/809572999.db2.gz NPQALICPBACQGR-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034288340 809573002 /nfs/dbraw/zinc/57/30/02/809573002.db2.gz NPQALICPBACQGR-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034288340 809573009 /nfs/dbraw/zinc/57/30/09/809573009.db2.gz NPQALICPBACQGR-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172112240 815300677 /nfs/dbraw/zinc/30/06/77/815300677.db2.gz UMCWVIPIENPWFP-FRXHMLBDSA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172112240 815300684 /nfs/dbraw/zinc/30/06/84/815300684.db2.gz UMCWVIPIENPWFP-FRXHMLBDSA-N 2 1 294.439 2.323 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340142 809582147 /nfs/dbraw/zinc/58/21/47/809582147.db2.gz LRUICMVELDMHBH-HNNXBMFYSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc(CO)cc1)C2 ZINC001172110861 815301817 /nfs/dbraw/zinc/30/18/17/815301817.db2.gz QDZSETMOOZRWNO-BCDXTJNWSA-N 2 1 288.435 2.326 20 0 CEADMP CCC[C@@H](CCO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114009 815302171 /nfs/dbraw/zinc/30/21/71/815302171.db2.gz LKQIHCYTGUMKEK-ZQDZILKHSA-N 2 1 254.418 2.142 20 0 CEADMP CCC[C@@H](CCO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114009 815302177 /nfs/dbraw/zinc/30/21/77/815302177.db2.gz LKQIHCYTGUMKEK-ZQDZILKHSA-N 2 1 254.418 2.142 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCc3nccnc31)C2 ZINC001172115135 815302723 /nfs/dbraw/zinc/30/27/23/815302723.db2.gz QYQGWACDNKRAGT-HLPPOEQASA-N 2 1 286.423 2.459 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCc3nccnc31)C2 ZINC001172115135 815302729 /nfs/dbraw/zinc/30/27/29/815302729.db2.gz QYQGWACDNKRAGT-HLPPOEQASA-N 2 1 286.423 2.459 20 0 CEADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001034539227 809628035 /nfs/dbraw/zinc/62/80/35/809628035.db2.gz YKVKCZNQYYBRMQ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001034539227 809628041 /nfs/dbraw/zinc/62/80/41/809628041.db2.gz YKVKCZNQYYBRMQ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000703488478 809652656 /nfs/dbraw/zinc/65/26/56/809652656.db2.gz VMAZCMATPNXZLA-CALCHBBNSA-N 3 1 287.451 2.320 20 0 CEADMP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000703488478 809652657 /nfs/dbraw/zinc/65/26/57/809652657.db2.gz VMAZCMATPNXZLA-CALCHBBNSA-N 3 1 287.451 2.320 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000703488478 809652661 /nfs/dbraw/zinc/65/26/61/809652661.db2.gz VMAZCMATPNXZLA-CALCHBBNSA-N 3 1 287.451 2.320 20 0 CEADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@]1(C)O ZINC001172120060 815308124 /nfs/dbraw/zinc/30/81/24/815308124.db2.gz JJZWIIPMLPTYAO-UUAJXVIYSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@]1(C)O ZINC001172120060 815308132 /nfs/dbraw/zinc/30/81/32/815308132.db2.gz JJZWIIPMLPTYAO-UUAJXVIYSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[C@]1(C)O ZINC001172120060 815308137 /nfs/dbraw/zinc/30/81/37/815308137.db2.gz JJZWIIPMLPTYAO-UUAJXVIYSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[C@]1(C)O ZINC001172120060 815308143 /nfs/dbraw/zinc/30/81/43/815308143.db2.gz JJZWIIPMLPTYAO-UUAJXVIYSA-N 2 1 280.456 2.485 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)ccn1)C2 ZINC001172119457 815310032 /nfs/dbraw/zinc/31/00/32/815310032.db2.gz ZZWOZFFBOYJBHQ-XMQYKBBCSA-N 2 1 263.360 2.326 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)ccn1)C2 ZINC001172119457 815310038 /nfs/dbraw/zinc/31/00/38/815310038.db2.gz ZZWOZFFBOYJBHQ-XMQYKBBCSA-N 2 1 263.360 2.326 20 0 CEADMP C[NH+](C)[C@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121532 815312706 /nfs/dbraw/zinc/31/27/06/815312706.db2.gz KLPACMRKFLZMCD-XUWVNRHRSA-N 2 1 265.445 2.028 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCOC[C@@H]1C1CC1)C2 ZINC001172122388 815313151 /nfs/dbraw/zinc/31/31/51/815313151.db2.gz AJPLNWRKDCQODL-QKPAOTATSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCOC[C@@H]1C1CC1)C2 ZINC001172122388 815313157 /nfs/dbraw/zinc/31/31/57/815313157.db2.gz AJPLNWRKDCQODL-QKPAOTATSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCOC[C@@H]1C1CC1)C2 ZINC001172122388 815313161 /nfs/dbraw/zinc/31/31/61/815313161.db2.gz AJPLNWRKDCQODL-QKPAOTATSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1C[C@@]2(C)C[NH+](Cc3cccc(N)c3)C[C@]2(C)C1 ZINC000707051016 809873288 /nfs/dbraw/zinc/87/32/88/809873288.db2.gz BMLNXLCHEWYCHN-HOTGVXAUSA-N 2 1 259.397 2.042 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000708341957 809927049 /nfs/dbraw/zinc/92/70/49/809927049.db2.gz ONTBYTNKBWKQIM-NIOBXDJOSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000709558717 809965381 /nfs/dbraw/zinc/96/53/81/809965381.db2.gz VLUXNOYEROOCGC-OUAUKWLOSA-N 2 1 250.308 2.116 20 0 CEADMP C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000710692635 809990816 /nfs/dbraw/zinc/99/08/16/809990816.db2.gz HHHYAFNJDXTOHA-GJZGRUSLSA-N 2 1 283.460 2.227 20 0 CEADMP c1cn2c(n1)CC[N@@H+]([C@H]1CSc3ccccc3C1)CC2 ZINC001172205278 815333210 /nfs/dbraw/zinc/33/32/10/815333210.db2.gz ICEDNYDMAGDEOY-CQSZACIVSA-N 2 1 285.416 2.458 20 0 CEADMP c1cc2c(cc1C[N@H+]1C[C@@H]3CSC[C@@H]3C1)C[NH2+]CC2 ZINC000711539389 810082708 /nfs/dbraw/zinc/08/27/08/810082708.db2.gz AYAAUSHNUQEROX-IYBDPMFKSA-N 2 1 274.433 2.127 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@H](O)c1ccc(F)cc1)CC[NH2+]CC2 ZINC000923384473 810090651 /nfs/dbraw/zinc/09/06/51/810090651.db2.gz YMVPVIFKJAYCHL-BBRMVZONSA-N 2 1 292.398 2.323 20 0 CEADMP CC(C)N(c1nc(N2CCC([NH3+])CC2)cc[nH+]1)C(C)C ZINC001163577576 810128475 /nfs/dbraw/zinc/12/84/75/810128475.db2.gz SQGIEBMAMUJMLC-UHFFFAOYSA-N 2 1 277.416 2.027 20 0 CEADMP CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079687796 810229034 /nfs/dbraw/zinc/22/90/34/810229034.db2.gz WKPMQYPVIDEYDZ-BZUAXINKSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079687796 810229038 /nfs/dbraw/zinc/22/90/38/810229038.db2.gz WKPMQYPVIDEYDZ-BZUAXINKSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079687796 810229042 /nfs/dbraw/zinc/22/90/42/810229042.db2.gz WKPMQYPVIDEYDZ-BZUAXINKSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001121791112 815356373 /nfs/dbraw/zinc/35/63/73/815356373.db2.gz GPKMNXOPMPYRHH-UHFFFAOYSA-N 2 1 295.471 2.001 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCCC2(C)C)CC1 ZINC001172252449 815358766 /nfs/dbraw/zinc/35/87/66/815358766.db2.gz MXCTZWHKEUMCTP-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCCC2(C)C)CC1 ZINC001172252449 815358771 /nfs/dbraw/zinc/35/87/71/815358771.db2.gz MXCTZWHKEUMCTP-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206163876 815360716 /nfs/dbraw/zinc/36/07/16/815360716.db2.gz GZLJHPCFHSIWLS-KBPBESRZSA-N 2 1 265.376 2.014 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206163876 815360724 /nfs/dbraw/zinc/36/07/24/815360724.db2.gz GZLJHPCFHSIWLS-KBPBESRZSA-N 2 1 265.376 2.014 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(C)(C)OC)CC1 ZINC001172255747 815361058 /nfs/dbraw/zinc/36/10/58/815361058.db2.gz MMPYERNAZNVFQA-INIZCTEOSA-N 2 1 298.471 2.377 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(C)(C)OC)CC1 ZINC001172255747 815361063 /nfs/dbraw/zinc/36/10/63/815361063.db2.gz MMPYERNAZNVFQA-INIZCTEOSA-N 2 1 298.471 2.377 20 0 CEADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015795429 810356224 /nfs/dbraw/zinc/35/62/24/810356224.db2.gz PPHVESRDSVXJLG-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC=C(C)C)C1 ZINC001164455882 810373452 /nfs/dbraw/zinc/37/34/52/810373452.db2.gz HLBGLZYDKISWFJ-MRXNPFEDSA-N 2 1 295.471 2.171 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](C(C)C)C1 ZINC001015973295 810380781 /nfs/dbraw/zinc/38/07/81/810380781.db2.gz AYVOORBSBZJYQG-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C(C)C)C1 ZINC001015973295 810380786 /nfs/dbraw/zinc/38/07/86/810380786.db2.gz AYVOORBSBZJYQG-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C(C)C)C1 ZINC001015973295 810380790 /nfs/dbraw/zinc/38/07/90/810380790.db2.gz AYVOORBSBZJYQG-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H](C)OCC[C@@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001172320058 815370631 /nfs/dbraw/zinc/37/06/31/815370631.db2.gz VDGWNTPWGWWJHT-DGCLKSJQSA-N 2 1 253.390 2.459 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001017127761 810494772 /nfs/dbraw/zinc/49/47/72/810494772.db2.gz PZGMYPHPZGHBMJ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001017127761 810494774 /nfs/dbraw/zinc/49/47/74/810494774.db2.gz PZGMYPHPZGHBMJ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001017127761 810494776 /nfs/dbraw/zinc/49/47/76/810494776.db2.gz PZGMYPHPZGHBMJ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)C(C)C)C1)[NH+](C)C ZINC001017203417 810497514 /nfs/dbraw/zinc/49/75/14/810497514.db2.gz KXWGJGONRHTJPW-HZPDHXFCSA-N 2 1 297.487 2.151 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001172359039 815402171 /nfs/dbraw/zinc/40/21/71/815402171.db2.gz HSQFBIRIBZHCPQ-QXSJWSMHSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001172359039 815402174 /nfs/dbraw/zinc/40/21/74/815402174.db2.gz HSQFBIRIBZHCPQ-QXSJWSMHSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001172359039 815402175 /nfs/dbraw/zinc/40/21/75/815402175.db2.gz HSQFBIRIBZHCPQ-QXSJWSMHSA-N 2 1 268.445 2.464 20 0 CEADMP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)CC[N@H+]2C1 ZINC000723661379 811027569 /nfs/dbraw/zinc/02/75/69/811027569.db2.gz FLIVOTIIYIMRRX-MZBWOGCUSA-N 2 1 278.440 2.408 20 0 CEADMP CCOCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172421234 815415831 /nfs/dbraw/zinc/41/58/31/815415831.db2.gz WEXFUNABONOMJF-ZQDZILKHSA-N 2 1 254.418 2.406 20 0 CEADMP CCOCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172421234 815415833 /nfs/dbraw/zinc/41/58/33/815415833.db2.gz WEXFUNABONOMJF-ZQDZILKHSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C/C=C\CNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000381910670 811101445 /nfs/dbraw/zinc/10/14/45/811101445.db2.gz ZTNBNQFKXNWTFK-YOIVVXPQSA-N 2 1 297.443 2.140 20 0 CEADMP C[NH+](C)CCCOc1ccc(C2=CCC[N@@H+](C)C2)cn1 ZINC001241570722 811117308 /nfs/dbraw/zinc/11/73/08/811117308.db2.gz NWRQQWYYCYBHCN-UHFFFAOYSA-N 2 1 275.396 2.131 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N(CCC[NH3+])C(C)C)c2c1C ZINC001156118054 811195070 /nfs/dbraw/zinc/19/50/70/811195070.db2.gz PIEXNENCNWOQOL-UHFFFAOYSA-N 2 1 261.373 2.138 20 0 CEADMP COC(=O)C1(C)CCC([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC001168789997 811234646 /nfs/dbraw/zinc/23/46/46/811234646.db2.gz USONYOVDHJDKHT-PREGVCBESA-N 2 1 294.439 2.136 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)C1CCC(C)(C(=O)OC)CC1 ZINC001168794264 811237264 /nfs/dbraw/zinc/23/72/64/811237264.db2.gz PFXSCJUTCWPACO-UHFFFAOYSA-N 2 1 284.444 2.382 20 0 CEADMP C[C@H]1C[C@@H]([NH+]2CCC(C)([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001168822103 811257150 /nfs/dbraw/zinc/25/71/50/811257150.db2.gz HNOGRXXGMOACKI-QWHCGFSZSA-N 2 1 297.443 2.198 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205995339 811284086 /nfs/dbraw/zinc/28/40/86/811284086.db2.gz NSPFTOKQLQEIGH-KBPBESRZSA-N 2 1 264.417 2.271 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)C2 ZINC001169098195 811371236 /nfs/dbraw/zinc/37/12/36/811371236.db2.gz GQWXKTLDCUMHQE-XDQVBPFNSA-N 2 1 252.402 2.159 20 0 CEADMP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169101281 811374038 /nfs/dbraw/zinc/37/40/38/811374038.db2.gz QLUWFPWOEAVWHR-JHJNDJDLSA-N 2 1 294.439 2.323 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CCO)c1ccc(F)cc1)C2 ZINC001169090864 811385187 /nfs/dbraw/zinc/38/51/87/811385187.db2.gz MKETYMFFIACPMA-NXOAAHMSSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CCO)c1ccc(F)cc1)C2 ZINC001169090864 811385196 /nfs/dbraw/zinc/38/51/96/811385196.db2.gz MKETYMFFIACPMA-NXOAAHMSSA-N 2 1 292.398 2.464 20 0 CEADMP Cc1nc([C@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)no1 ZINC001169125471 811394118 /nfs/dbraw/zinc/39/41/18/811394118.db2.gz IVCVCUVEHCVFGW-BYNSBNAKSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nc([C@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)no1 ZINC001169125471 811394127 /nfs/dbraw/zinc/39/41/27/811394127.db2.gz IVCVCUVEHCVFGW-BYNSBNAKSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nc([C@H]2CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)no1 ZINC001169125471 811394135 /nfs/dbraw/zinc/39/41/35/811394135.db2.gz IVCVCUVEHCVFGW-BYNSBNAKSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nc([C@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)no1 ZINC001169125471 811394143 /nfs/dbraw/zinc/39/41/43/811394143.db2.gz IVCVCUVEHCVFGW-BYNSBNAKSA-N 2 1 290.411 2.183 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccc(O)cc3C1)C2 ZINC001169108330 811403257 /nfs/dbraw/zinc/40/32/57/811403257.db2.gz RDMMEKVGPCPNAA-WCXIOVBPSA-N 2 1 286.419 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c(C[NH3+])cc3ccncc31)C2 ZINC001169114012 811405327 /nfs/dbraw/zinc/40/53/27/811405327.db2.gz VRIVBAYLQZMRCM-BTTYYORXSA-N 2 1 270.380 2.293 20 0 CEADMP CCCCC[NH+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169140175 811405828 /nfs/dbraw/zinc/40/58/28/811405828.db2.gz IJFAIQFUEZTXHX-BJWYYQGGSA-N 2 1 279.472 2.419 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]([NH+]3CCCCC3)C1)C2 ZINC001169140947 811406077 /nfs/dbraw/zinc/40/60/77/811406077.db2.gz MWMBFHMNKNKYSP-VVLHAWIVSA-N 2 1 277.456 2.172 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(CCO)CC1)C2 ZINC001169112903 811406276 /nfs/dbraw/zinc/40/62/76/811406276.db2.gz UXZGDUDMYFLNDS-VXSNREPFSA-N 2 1 266.429 2.142 20 0 CEADMP Cc1noc(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC001169142539 811408308 /nfs/dbraw/zinc/40/83/08/811408308.db2.gz CUHPUOXHIJSFRU-FICVDOATSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1noc(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC001169142539 811408312 /nfs/dbraw/zinc/40/83/12/811408312.db2.gz CUHPUOXHIJSFRU-FICVDOATSA-N 2 1 290.411 2.183 20 0 CEADMP CCCCOC(=O)[C@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169160331 811421647 /nfs/dbraw/zinc/42/16/47/811421647.db2.gz COSDRHKMDCHZES-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP CCCCOC(=O)[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169160331 811421656 /nfs/dbraw/zinc/42/16/56/811421656.db2.gz COSDRHKMDCHZES-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP CCCCOC(=O)[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169160331 811421663 /nfs/dbraw/zinc/42/16/63/811421663.db2.gz COSDRHKMDCHZES-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001044006062 811427644 /nfs/dbraw/zinc/42/76/44/811427644.db2.gz LGBCTRYVUWJPOA-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001044006062 811427648 /nfs/dbraw/zinc/42/76/48/811427648.db2.gz LGBCTRYVUWJPOA-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC001169262351 811451078 /nfs/dbraw/zinc/45/10/78/811451078.db2.gz ZALVLRCQPOWBKQ-INIZCTEOSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC001169262351 811451084 /nfs/dbraw/zinc/45/10/84/811451084.db2.gz ZALVLRCQPOWBKQ-INIZCTEOSA-N 2 1 282.428 2.136 20 0 CEADMP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC001169238454 811456666 /nfs/dbraw/zinc/45/66/66/811456666.db2.gz IIOMCGLLQLEBJD-OAHLLOKOSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]([NH3+])c1ccn(-c2ccc([C@@H]3CC[N@@H+](C)C3)cc2)n1 ZINC001169237552 811457373 /nfs/dbraw/zinc/45/73/73/811457373.db2.gz NZYFRQGSEBXUHG-TZMCWYRMSA-N 2 1 270.380 2.311 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2Cc3ccc(F)cc3C2)CC1 ZINC001169241528 811458551 /nfs/dbraw/zinc/45/85/51/811458551.db2.gz OJMJMECGQGDHIV-INIZCTEOSA-N 2 1 262.372 2.367 20 0 CEADMP CC(C)[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001044741498 811531756 /nfs/dbraw/zinc/53/17/56/811531756.db2.gz CAACQZZFSWECMG-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP Cn1ccnc1[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000365650289 811592536 /nfs/dbraw/zinc/59/25/36/811592536.db2.gz QWBIYKASBWGVHU-GJZGRUSLSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1ccnc1[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000365650289 811592541 /nfs/dbraw/zinc/59/25/41/811592541.db2.gz QWBIYKASBWGVHU-GJZGRUSLSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1ccnc1[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000365650289 811592547 /nfs/dbraw/zinc/59/25/47/811592547.db2.gz QWBIYKASBWGVHU-GJZGRUSLSA-N 2 1 276.428 2.084 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](C(C)C)CC1 ZINC001045438146 811612421 /nfs/dbraw/zinc/61/24/21/811612421.db2.gz KZBNAUQEABAIST-HNNXBMFYSA-N 2 1 295.471 2.238 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)CCO1 ZINC001172543737 815465470 /nfs/dbraw/zinc/46/54/70/815465470.db2.gz RXMRJSFSVQBJQJ-IXDOHACOSA-N 2 1 274.408 2.372 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)CCO1 ZINC001172543737 815465474 /nfs/dbraw/zinc/46/54/74/815465474.db2.gz RXMRJSFSVQBJQJ-IXDOHACOSA-N 2 1 274.408 2.372 20 0 CEADMP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169797850 811664346 /nfs/dbraw/zinc/66/43/46/811664346.db2.gz JTRIZTIGNUSDHT-GDBMZVCRSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCC3(C1)OCCO3)C2 ZINC001169914145 811711518 /nfs/dbraw/zinc/71/15/18/811711518.db2.gz OQOKBSQPZLSVIN-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCC3(C1)OCCO3)C2 ZINC001169914145 811711520 /nfs/dbraw/zinc/71/15/20/811711520.db2.gz OQOKBSQPZLSVIN-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP CN(C)c1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206173829 815487591 /nfs/dbraw/zinc/48/75/91/815487591.db2.gz KHIHAYRPZSTFPQ-GJZGRUSLSA-N 2 1 265.376 2.014 20 0 CEADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC)C(C)C ZINC001109859997 811961033 /nfs/dbraw/zinc/96/10/33/811961033.db2.gz FDLCBLRTYGJNFU-UGUYLWEFSA-N 2 1 295.471 2.094 20 0 CEADMP CCC/C=C\CC[NH+]1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001113351389 812225727 /nfs/dbraw/zinc/22/57/27/812225727.db2.gz ZQPBXGNLCCXYLR-QWGSZXSUSA-N 2 1 295.471 2.217 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[N@@H+](C2)[C@@H]3C)CC1 ZINC001172777805 815518331 /nfs/dbraw/zinc/51/83/31/815518331.db2.gz RPDNKPOMFHZCDR-DGXTUMSLSA-N 2 1 294.439 2.181 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC001172792230 815524227 /nfs/dbraw/zinc/52/42/27/815524227.db2.gz PSHJUEHIHZCLKP-JKSUJKDBSA-N 2 1 296.455 2.382 20 0 CEADMP Cc1cc2c(cn1)[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)CC2 ZINC001254511278 812424461 /nfs/dbraw/zinc/42/44/61/812424461.db2.gz YBRPOLUNWGOSLQ-ZBFHGGJFSA-N 2 1 259.397 2.451 20 0 CEADMP CCCCC[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129423941 812492195 /nfs/dbraw/zinc/49/21/95/812492195.db2.gz YNFVPONFNNJWAW-HNNXBMFYSA-N 2 1 283.460 2.145 20 0 CEADMP CC[C@@H](C)C[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129422338 812492285 /nfs/dbraw/zinc/49/22/85/812492285.db2.gz HNFJWMUIUTUGQE-CABCVRRESA-N 2 1 283.460 2.001 20 0 CEADMP CCC/C=C\CC[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129842268 812512957 /nfs/dbraw/zinc/51/29/57/812512957.db2.gz VIQUKCBQVADSSL-OGZRUICASA-N 2 1 295.471 2.313 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CCCC(C)(C)C ZINC001129841581 812512998 /nfs/dbraw/zinc/51/29/98/812512998.db2.gz OXSTXIKHEINSJQ-OAHLLOKOSA-N 2 1 297.487 2.393 20 0 CEADMP Cc1cc(C)nc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC001248977426 815537838 /nfs/dbraw/zinc/53/78/38/815537838.db2.gz IWOYPZHEQOIYGT-UHFFFAOYSA-N 2 1 288.439 2.401 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC(C)C)C1 ZINC001132377337 812836501 /nfs/dbraw/zinc/83/65/01/812836501.db2.gz WUINEUCUCWPDGP-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(C)n1 ZINC001206185071 815565743 /nfs/dbraw/zinc/56/57/43/815565743.db2.gz LDNVMYDSVIQDFP-KGLIPLIRSA-N 2 1 281.375 2.050 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(C)n1 ZINC001206185071 815565745 /nfs/dbraw/zinc/56/57/45/815565745.db2.gz LDNVMYDSVIQDFP-KGLIPLIRSA-N 2 1 281.375 2.050 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751550 812965146 /nfs/dbraw/zinc/96/51/46/812965146.db2.gz XHZRDTYNVYSCMY-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001158751550 812965149 /nfs/dbraw/zinc/96/51/49/812965149.db2.gz XHZRDTYNVYSCMY-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001158751550 812965152 /nfs/dbraw/zinc/96/51/52/812965152.db2.gz XHZRDTYNVYSCMY-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]c4ncccc34)C2)C1 ZINC001137404089 813033636 /nfs/dbraw/zinc/03/36/36/813033636.db2.gz AUNZWSQJQICVEC-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c[nH]c4ncccc34)C2)C1 ZINC001137404089 813033645 /nfs/dbraw/zinc/03/36/45/813033645.db2.gz AUNZWSQJQICVEC-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c[nH]c4ncccc34)C2)C1 ZINC001137404089 813033649 /nfs/dbraw/zinc/03/36/49/813033649.db2.gz AUNZWSQJQICVEC-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C1C[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)CS1 ZINC001255278803 813037530 /nfs/dbraw/zinc/03/75/30/813037530.db2.gz BSDHBRGIKDPRPV-AWEZNQCLSA-N 2 1 254.443 2.442 20 0 CEADMP CCCC[C@@H](C)[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001255328203 813066724 /nfs/dbraw/zinc/06/67/24/813066724.db2.gz HQWRYTSPOCMJPO-CQSZACIVSA-N 2 1 272.433 2.382 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3cccc(C#N)c3)C[C@@H]2C1 ZINC000390459697 813265284 /nfs/dbraw/zinc/26/52/84/813265284.db2.gz GIMVHGLWOUXPJF-SJORKVTESA-N 2 1 299.418 2.211 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3cccc(C#N)c3)C[C@@H]2C1 ZINC000390459697 813265287 /nfs/dbraw/zinc/26/52/87/813265287.db2.gz GIMVHGLWOUXPJF-SJORKVTESA-N 2 1 299.418 2.211 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3cccc(C#N)c3)C[C@@H]2C1 ZINC000390459697 813265289 /nfs/dbraw/zinc/26/52/89/813265289.db2.gz GIMVHGLWOUXPJF-SJORKVTESA-N 2 1 299.418 2.211 20 0 CEADMP CC(C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390748778 813269525 /nfs/dbraw/zinc/26/95/25/813269525.db2.gz RGYKHUKPQMVIEW-INIZCTEOSA-N 2 1 288.439 2.421 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170752165 813276416 /nfs/dbraw/zinc/27/64/16/813276416.db2.gz XXMFCRBIKPOLAY-GJZGRUSLSA-N 2 1 283.460 2.144 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135305358 813402950 /nfs/dbraw/zinc/40/29/50/813402950.db2.gz RXXUTXANAYQDGD-UHFFFAOYSA-N 2 1 294.443 2.114 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CCCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001255485481 813423618 /nfs/dbraw/zinc/42/36/18/813423618.db2.gz CJKXDBUQDHSZGM-HZPDHXFCSA-N 2 1 265.445 2.031 20 0 CEADMP CC1CCC([NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC001255486225 813436892 /nfs/dbraw/zinc/43/68/92/813436892.db2.gz JZKZAWXIABQKCR-OFLPRAFFSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@@H](CN[C@@H]1CCC[NH2+][C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000396575193 813575015 /nfs/dbraw/zinc/57/50/15/813575015.db2.gz CFKROILBVYRBEK-YQQAZPJKSA-N 2 1 275.440 2.237 20 0 CEADMP Cc1c[nH+]c(NCC[C@@H](C)[NH3+])c([Si](C)(C)C)c1 ZINC001170889754 813618584 /nfs/dbraw/zinc/61/85/84/813618584.db2.gz WGMBGZADTQTWDS-LLVKDONJSA-N 2 1 251.450 2.084 20 0 CEADMP CC[C@@H](C)C[C@@H](CC)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246089065 813678655 /nfs/dbraw/zinc/67/86/55/813678655.db2.gz OOJGZGUAGDATAF-HZPDHXFCSA-N 2 1 269.477 2.476 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCNCC2)CC(C)(C)C1 ZINC001246090723 813678939 /nfs/dbraw/zinc/67/89/39/813678939.db2.gz YMWMAVOLCBLLKP-HZPDHXFCSA-N 2 1 281.488 2.476 20 0 CEADMP C[C@@H]1C[NH2+]C[C@@H](CN[C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001246097787 813686396 /nfs/dbraw/zinc/68/63/96/813686396.db2.gz IKRJYLCNRFULKQ-HRCADAONSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H](CN[C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001246097794 813687102 /nfs/dbraw/zinc/68/71/02/813687102.db2.gz IKRJYLCNRFULKQ-XHSDSOJGSA-N 2 1 279.472 2.229 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CCC1CC1 ZINC001159907624 813704739 /nfs/dbraw/zinc/70/47/39/813704739.db2.gz BVLCQOBOEKQYFN-MRXNPFEDSA-N 2 1 295.471 2.145 20 0 CEADMP CCCC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246119380 813706868 /nfs/dbraw/zinc/70/68/68/813706868.db2.gz JZDHKVBRPKZLCB-QKPAOTATSA-N 3 1 267.461 2.132 20 0 CEADMP C[C@]1([NH2+][C@@H]2CCc3c(F)cccc3C2)CCC[NH2+]C1 ZINC001246190110 813725253 /nfs/dbraw/zinc/72/52/53/813725253.db2.gz PFRKZPWHBQQTGZ-CJNGLKHVSA-N 2 1 262.372 2.415 20 0 CEADMP C[C@H]1CC[C@H]([NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C)C1 ZINC001246208859 813730054 /nfs/dbraw/zinc/73/00/54/813730054.db2.gz VPLPEEFZDXRFNX-AVGNSLFASA-N 2 1 270.417 2.214 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001246530089 813905805 /nfs/dbraw/zinc/90/58/05/813905805.db2.gz MWBQAFBHZLFQQX-NRXISQOPSA-N 3 1 253.434 2.063 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@](C)(N)C2)CC1 ZINC001246530089 813905809 /nfs/dbraw/zinc/90/58/09/813905809.db2.gz MWBQAFBHZLFQQX-NRXISQOPSA-N 2 1 253.434 2.063 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@](C)(N)C2)CC1 ZINC001246530089 813905815 /nfs/dbraw/zinc/90/58/15/813905815.db2.gz MWBQAFBHZLFQQX-NRXISQOPSA-N 2 1 253.434 2.063 20 0 CEADMP CC[NH+](CC)C1CCC(N2CC[C@](C)([NH3+])C2)CC1 ZINC001246530089 813905822 /nfs/dbraw/zinc/90/58/22/813905822.db2.gz MWBQAFBHZLFQQX-NRXISQOPSA-N 2 1 253.434 2.063 20 0 CEADMP C[C@@]1([NH3+])CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246537076 813928958 /nfs/dbraw/zinc/92/89/58/813928958.db2.gz AYTZIFILYANDEC-HWOWSKLDSA-N 2 1 265.445 2.112 20 0 CEADMP C[C@@]1([NH3+])CCCN(C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246537076 813928961 /nfs/dbraw/zinc/92/89/61/813928961.db2.gz AYTZIFILYANDEC-HWOWSKLDSA-N 2 1 265.445 2.112 20 0 CEADMP C[C@@]1(N)CCC[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246537076 813928969 /nfs/dbraw/zinc/92/89/69/813928969.db2.gz AYTZIFILYANDEC-HWOWSKLDSA-N 2 1 265.445 2.112 20 0 CEADMP C[C@@]1(N)CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246537076 813928975 /nfs/dbraw/zinc/92/89/75/813928975.db2.gz AYTZIFILYANDEC-HWOWSKLDSA-N 2 1 265.445 2.112 20 0 CEADMP NC[C@H]1CCCC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246543179 813960424 /nfs/dbraw/zinc/96/04/24/813960424.db2.gz SHNAHJGXOMMBJJ-HWOWSKLDSA-N 2 1 265.445 2.112 20 0 CEADMP [NH3+]C[C@H]1CCCCN1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246543179 813960435 /nfs/dbraw/zinc/96/04/35/813960435.db2.gz SHNAHJGXOMMBJJ-HWOWSKLDSA-N 2 1 265.445 2.112 20 0 CEADMP COc1cccc(C[C@H](C)[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001246550417 814003294 /nfs/dbraw/zinc/00/32/94/814003294.db2.gz XWIKCCHPSDSJCB-DZGCQCFKSA-N 2 1 262.397 2.439 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C(C)C)[C@@H]1CCN(C(C)=O)C1 ZINC001255972296 814065206 /nfs/dbraw/zinc/06/52/06/814065206.db2.gz OZCRHNUZWDKVJZ-NVXWUHKLSA-N 2 1 297.487 2.438 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](F)[C@@H](N)CC2)CC1 ZINC001246568989 814075429 /nfs/dbraw/zinc/07/54/29/814075429.db2.gz MLVOYWCAJYBCHF-FJBKBRRZSA-N 2 1 285.451 2.401 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246568989 814075435 /nfs/dbraw/zinc/07/54/35/814075435.db2.gz MLVOYWCAJYBCHF-FJBKBRRZSA-N 3 1 285.451 2.401 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246568989 814075442 /nfs/dbraw/zinc/07/54/42/814075442.db2.gz MLVOYWCAJYBCHF-FJBKBRRZSA-N 3 1 285.451 2.401 20 0 CEADMP CCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001100345198 814100724 /nfs/dbraw/zinc/10/07/24/814100724.db2.gz ULHRUWNEJKJFSU-PRLABOORSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)C[NH+]1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144618169 814129552 /nfs/dbraw/zinc/12/95/52/814129552.db2.gz IRWKUYMQSRVZBH-UHFFFAOYSA-N 2 1 272.396 2.108 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](C2CCC(F)(F)CC2)CC[C@@H]1F ZINC001246584294 814165046 /nfs/dbraw/zinc/16/50/46/814165046.db2.gz IXXHFPYLKRZJGE-QWRGUYRKSA-N 2 1 250.308 2.326 20 0 CEADMP [NH3+][C@H]1CC[N@H+](C2CCC(F)(F)CC2)CC[C@@H]1F ZINC001246584294 814165050 /nfs/dbraw/zinc/16/50/50/814165050.db2.gz IXXHFPYLKRZJGE-QWRGUYRKSA-N 2 1 250.308 2.326 20 0 CEADMP CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001091198747 814177976 /nfs/dbraw/zinc/17/79/76/814177976.db2.gz RKPZRTXXITZWNY-PCKAHOCUSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H]1CC[N@@H+]([C@H]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246593456 814189186 /nfs/dbraw/zinc/18/91/86/814189186.db2.gz HUUBNGBVSRXXBQ-JSGCOSHPSA-N 2 1 262.372 2.367 20 0 CEADMP C[C@H]1CC[N@H+]([C@H]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246593456 814189190 /nfs/dbraw/zinc/18/91/90/814189190.db2.gz HUUBNGBVSRXXBQ-JSGCOSHPSA-N 2 1 262.372 2.367 20 0 CEADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CCC2CCCC2)C1 ZINC001171226611 814192194 /nfs/dbraw/zinc/19/21/94/814192194.db2.gz IAPLBMSUMLZWDO-INIZCTEOSA-N 2 1 295.471 2.004 20 0 CEADMP CCCC(CCC)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246623373 814222441 /nfs/dbraw/zinc/22/24/41/814222441.db2.gz SIJGVRRBIAJMJF-OAHLLOKOSA-N 2 1 254.418 2.410 20 0 CEADMP C[NH2+]C1CCC([N@@H+](C2CCC2)[C@@H]2CCCNC2)CC1 ZINC001246989552 814504262 /nfs/dbraw/zinc/50/42/62/814504262.db2.gz UHPAECICZFVOKD-AVVWSFFYSA-N 2 1 265.445 2.124 20 0 CEADMP C[NH2+]C1CCC(N(C2CCC2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246989552 814504263 /nfs/dbraw/zinc/50/42/63/814504263.db2.gz UHPAECICZFVOKD-AVVWSFFYSA-N 2 1 265.445 2.124 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171330806 814557188 /nfs/dbraw/zinc/55/71/88/814557188.db2.gz VFPYKIRRQMYKOS-HUUCEWRRSA-N 2 1 283.460 2.145 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000694056115 814633018 /nfs/dbraw/zinc/63/30/18/814633018.db2.gz PTNQVNFEEYUGMO-FVQBIDKESA-N 2 1 259.397 2.229 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000694056118 814633442 /nfs/dbraw/zinc/63/34/42/814633442.db2.gz PTNQVNFEEYUGMO-KBMXLJTQSA-N 2 1 259.397 2.229 20 0 CEADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)c(Cl)c1 ZINC001247510290 814684698 /nfs/dbraw/zinc/68/46/98/814684698.db2.gz ZGEIODFBNVDSIH-NSHDSACASA-N 2 1 280.759 2.437 20 0 CEADMP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCC[C@@H]2N)CC1 ZINC001173108224 815582944 /nfs/dbraw/zinc/58/29/44/815582944.db2.gz GRDCNLXHUNPABN-PFSRBDOWSA-N 2 1 253.434 2.109 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](O)C[C@@H]2C)CC1 ZINC001173115223 815583997 /nfs/dbraw/zinc/58/39/97/815583997.db2.gz ZPXGTXBOPOVZII-LBDPXKHJSA-N 2 1 268.445 2.485 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115806345 814756995 /nfs/dbraw/zinc/75/69/95/814756995.db2.gz UMGUEPHPZJOANF-UHFFFAOYSA-N 2 1 295.471 2.147 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173124560 815588399 /nfs/dbraw/zinc/58/83/99/815588399.db2.gz QWXVUTHWWOBLED-VXGBXAGGSA-N 2 1 265.426 2.074 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CCCC(C)(C)O1)C2 ZINC000714331990 814894091 /nfs/dbraw/zinc/89/40/91/814894091.db2.gz WQDYGDFRZBKHTG-CWRNSKLLSA-N 2 1 266.429 2.266 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000714752271 814914271 /nfs/dbraw/zinc/91/42/71/814914271.db2.gz CUNAIWQMJJRFNR-UHFFFAOYSA-N 2 1 253.415 2.463 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000714994145 814921346 /nfs/dbraw/zinc/92/13/46/814921346.db2.gz GBYMBBKGFQJVHT-HZPDHXFCSA-N 2 1 274.408 2.448 20 0 CEADMP COc1cccc2c1C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)CO2 ZINC001173151729 815608306 /nfs/dbraw/zinc/60/83/06/815608306.db2.gz WSRDWIGCMCSXFI-ZIAGYGMSSA-N 2 1 290.407 2.073 20 0 CEADMP CC[C@H]1CC[C@@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)C1 ZINC001173267433 815645355 /nfs/dbraw/zinc/64/53/55/815645355.db2.gz LJNKHBMKKHIQLU-LSDHHAIUSA-N 3 1 255.450 2.168 20 0 CEADMP CC[C@H]1CC[C@@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)C1 ZINC001173267433 815645359 /nfs/dbraw/zinc/64/53/59/815645359.db2.gz LJNKHBMKKHIQLU-LSDHHAIUSA-N 3 1 255.450 2.168 20 0 CEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC001137761466 815678267 /nfs/dbraw/zinc/67/82/67/815678267.db2.gz NKXRMKZWOLVGSH-SJLPKXTDSA-N 2 1 296.418 2.256 20 0 CEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC001137761466 815678271 /nfs/dbraw/zinc/67/82/71/815678271.db2.gz NKXRMKZWOLVGSH-SJLPKXTDSA-N 2 1 296.418 2.256 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC001173362712 815702614 /nfs/dbraw/zinc/70/26/14/815702614.db2.gz JNTBMFQYTRPNQX-OFLPRAFFSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@@H]1CC([N@@H+]2CC[C@@H](N)C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173673904 815785480 /nfs/dbraw/zinc/78/54/80/815785480.db2.gz URMYVZLRUGVASZ-JHJVBQTASA-N 2 1 297.443 2.196 20 0 CEADMP C[C@@H]1CC([N@H+]2CC[C@@H](N)C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173673904 815785483 /nfs/dbraw/zinc/78/54/83/815785483.db2.gz URMYVZLRUGVASZ-JHJVBQTASA-N 2 1 297.443 2.196 20 0 CEADMP C[C@@H]1CC([N@@H+]2CC[C@@H]([NH3+])C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173673904 815785486 /nfs/dbraw/zinc/78/54/86/815785486.db2.gz URMYVZLRUGVASZ-JHJVBQTASA-N 2 1 297.443 2.196 20 0 CEADMP C[C@@H]1CC([N@H+]2CC[C@@H]([NH3+])C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173673904 815785489 /nfs/dbraw/zinc/78/54/89/815785489.db2.gz URMYVZLRUGVASZ-JHJVBQTASA-N 2 1 297.443 2.196 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001173639597 815786535 /nfs/dbraw/zinc/78/65/35/815786535.db2.gz HSMIMVZMDUDTOR-UKRRQHHQSA-N 2 1 294.439 2.325 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001173639596 815787411 /nfs/dbraw/zinc/78/74/11/815787411.db2.gz HSMIMVZMDUDTOR-HIFRSBDPSA-N 2 1 294.439 2.325 20 0 CEADMP CN(C)c1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)s1 ZINC001138488326 815809356 /nfs/dbraw/zinc/80/93/56/815809356.db2.gz PVYFLUJRCQIVRW-OLZOCXBDSA-N 2 1 279.453 2.198 20 0 CEADMP CN(C)c1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)s1 ZINC001138488326 815809363 /nfs/dbraw/zinc/80/93/63/815809363.db2.gz PVYFLUJRCQIVRW-OLZOCXBDSA-N 2 1 279.453 2.198 20 0 CEADMP CN(C)c1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)s1 ZINC001138488326 815809370 /nfs/dbraw/zinc/80/93/70/815809370.db2.gz PVYFLUJRCQIVRW-OLZOCXBDSA-N 2 1 279.453 2.198 20 0 CEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)nc(C)c1 ZINC001276397960 815974541 /nfs/dbraw/zinc/97/45/41/815974541.db2.gz MGLBXFWYTKCAIM-MQVJKMGUSA-N 2 1 259.397 2.413 20 0 CEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)nc(C)c1 ZINC001276397960 815974543 /nfs/dbraw/zinc/97/45/43/815974543.db2.gz MGLBXFWYTKCAIM-MQVJKMGUSA-N 2 1 259.397 2.413 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2cn3c(cccc3F)n2)CC1 ZINC001139566926 816051827 /nfs/dbraw/zinc/05/18/27/816051827.db2.gz GUSFIMPZGXJYJD-UHFFFAOYSA-N 2 1 290.386 2.247 20 0 CEADMP Cn1c(=O)cc(C[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC001139753257 816107649 /nfs/dbraw/zinc/10/76/49/816107649.db2.gz VTLBHBNHQFVTFW-UHFFFAOYSA-N 2 1 299.418 2.065 20 0 CEADMP Cn1c(=O)cc(C[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC001139753257 816107653 /nfs/dbraw/zinc/10/76/53/816107653.db2.gz VTLBHBNHQFVTFW-UHFFFAOYSA-N 2 1 299.418 2.065 20 0 CEADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175255845 816163062 /nfs/dbraw/zinc/16/30/62/816163062.db2.gz HSCWUKMJPUDTMR-HZPDHXFCSA-N 2 1 297.487 2.391 20 0 CEADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273020 816166788 /nfs/dbraw/zinc/16/67/88/816166788.db2.gz NFHNWNFPFFSCJZ-OAHLLOKOSA-N 2 1 297.487 2.391 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4n[nH]cc4c3)C2)CC1 ZINC001140387070 816249319 /nfs/dbraw/zinc/24/93/19/816249319.db2.gz YZVMAUMYZUKFMJ-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4ccncc43)C[C@@H]2C1 ZINC001140644575 816312079 /nfs/dbraw/zinc/31/20/79/816312079.db2.gz SMECELWNJAGGRU-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc4ccncc43)C[C@@H]2C1 ZINC001140644575 816312087 /nfs/dbraw/zinc/31/20/87/816312087.db2.gz SMECELWNJAGGRU-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001140806732 816369024 /nfs/dbraw/zinc/36/90/24/816369024.db2.gz PKDKLBPDFFLKFR-ZDUSSCGKSA-N 2 1 295.346 2.006 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001140806732 816369032 /nfs/dbraw/zinc/36/90/32/816369032.db2.gz PKDKLBPDFFLKFR-ZDUSSCGKSA-N 2 1 295.346 2.006 20 0 CEADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176285106 816377495 /nfs/dbraw/zinc/37/74/95/816377495.db2.gz MZEPBQSESCGACY-HNNXBMFYSA-N 2 1 285.476 2.393 20 0 CEADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)[nH]n1 ZINC001203076093 816405263 /nfs/dbraw/zinc/40/52/63/816405263.db2.gz WIZPQXUKNUJTCI-UHFFFAOYSA-N 2 1 264.417 2.270 20 0 CEADMP Cc1cc(CN(C)CC2CC[NH+](C(C)C)CC2)[nH]n1 ZINC001203076093 816405272 /nfs/dbraw/zinc/40/52/72/816405272.db2.gz WIZPQXUKNUJTCI-UHFFFAOYSA-N 2 1 264.417 2.270 20 0 CEADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc3c(c2)NCCC3)C1 ZINC001206284309 816474977 /nfs/dbraw/zinc/47/49/77/816474977.db2.gz BNYATTPNHJKPQY-CYBMUJFWSA-N 2 1 259.397 2.086 20 0 CEADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc3c(c2)NCCC3)C1 ZINC001206284309 816474981 /nfs/dbraw/zinc/47/49/81/816474981.db2.gz BNYATTPNHJKPQY-CYBMUJFWSA-N 2 1 259.397 2.086 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]C(C)C)C12CCC2 ZINC001203102656 816503494 /nfs/dbraw/zinc/50/34/94/816503494.db2.gz IVLKBARJNFTXES-UONOGXRCSA-N 2 1 295.471 2.142 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](CCC2CCOCC2)CC1 ZINC001206295700 816527169 /nfs/dbraw/zinc/52/71/69/816527169.db2.gz NBIITJUCJQAKIA-HNNXBMFYSA-N 2 1 254.418 2.254 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206305236 816578406 /nfs/dbraw/zinc/57/84/06/816578406.db2.gz WVHHMWSXJZHSMV-CQSZACIVSA-N 2 1 251.374 2.242 20 0 CEADMP CCCn1cnc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206318633 816698413 /nfs/dbraw/zinc/69/84/13/816698413.db2.gz SDBVJQAJYRGVLE-OAHLLOKOSA-N 2 1 264.417 2.244 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1F ZINC001206326434 816732488 /nfs/dbraw/zinc/73/24/88/816732488.db2.gz NHHKTFZMXSNNMZ-HNNXBMFYSA-N 2 1 265.376 2.480 20 0 CEADMP c1[nH]nc2cccc(C[NH+]3CCC([NH+]4CCC4)CC3)c12 ZINC001143102006 816785030 /nfs/dbraw/zinc/78/50/30/816785030.db2.gz SZSJVYLUSJODHP-UHFFFAOYSA-N 2 1 270.380 2.233 20 0 CEADMP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001178700902 816785643 /nfs/dbraw/zinc/78/56/43/816785643.db2.gz BUDRLXIAERIYSN-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178734231 816790311 /nfs/dbraw/zinc/79/03/11/816790311.db2.gz ZQXTULGPLKTSCY-HNNXBMFYSA-N 2 1 283.460 2.147 20 0 CEADMP CN(C)c1cccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206351659 816805015 /nfs/dbraw/zinc/80/50/15/816805015.db2.gz HNPIOECZOHAQMG-INIZCTEOSA-N 2 1 279.403 2.406 20 0 CEADMP CN(C)c1cccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206351659 816805020 /nfs/dbraw/zinc/80/50/20/816805020.db2.gz HNPIOECZOHAQMG-INIZCTEOSA-N 2 1 279.403 2.406 20 0 CEADMP CCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001179337678 816855628 /nfs/dbraw/zinc/85/56/28/816855628.db2.gz SYBPXEJVFABQCB-JYJNAYRXSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001179534583 816870495 /nfs/dbraw/zinc/87/04/95/816870495.db2.gz PJKGYRIGLAJPKT-JYJNAYRXSA-N 2 1 293.455 2.016 20 0 CEADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CC1 ZINC000124520743 187141373 /nfs/dbraw/zinc/14/13/73/187141373.db2.gz QSQHPHNOWARDTI-INIZCTEOSA-N 2 1 267.461 2.038 20 0 CEADMP CN(CCC[N@@H+](C)CCC(C)(C)C)CC[NH+](C)C ZINC000344026413 282092308 /nfs/dbraw/zinc/09/23/08/282092308.db2.gz JOSLBSHHCQBHSN-UHFFFAOYSA-N 2 1 257.466 2.238 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000449087498 282095046 /nfs/dbraw/zinc/09/50/46/282095046.db2.gz WAPXBQPFPRLYBG-QLFBSQMISA-N 2 1 297.487 2.247 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc3nccn32)CC1 ZINC000336284470 365546434 /nfs/dbraw/zinc/54/64/34/365546434.db2.gz KCLZLSZUNVFARQ-UHFFFAOYSA-N 2 1 284.407 2.395 20 0 CEADMP C(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)COCC1CC1 ZINC000127786460 187332920 /nfs/dbraw/zinc/33/29/20/187332920.db2.gz FROBHRUQZPTBIO-GJZGRUSLSA-N 2 1 252.402 2.020 20 0 CEADMP N[C@@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccccc21 ZINC000567652912 299071515 /nfs/dbraw/zinc/07/15/15/299071515.db2.gz OVIJCUOQIUQPQQ-CVEARBPZSA-N 2 1 257.381 2.031 20 0 CEADMP COc1c(C)cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000336566588 365654737 /nfs/dbraw/zinc/65/47/37/365654737.db2.gz IWJODMRKKSOHMX-HOTGVXAUSA-N 2 1 274.408 2.496 20 0 CEADMP COc1c(C)cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000336566588 365654744 /nfs/dbraw/zinc/65/47/44/365654744.db2.gz IWJODMRKKSOHMX-HOTGVXAUSA-N 2 1 274.408 2.496 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000125359839 365673314 /nfs/dbraw/zinc/67/33/14/365673314.db2.gz MQNOWWLXRHYZCV-IJEWVQPXSA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000125359839 365673318 /nfs/dbraw/zinc/67/33/18/365673318.db2.gz MQNOWWLXRHYZCV-IJEWVQPXSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)COC(C)C)c1 ZINC000567681334 299074292 /nfs/dbraw/zinc/07/42/92/299074292.db2.gz PMZONEXEIGZVID-KRWDZBQOSA-N 2 1 294.439 2.014 20 0 CEADMP Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000125339645 187180141 /nfs/dbraw/zinc/18/01/41/187180141.db2.gz BOVPSFNCBZFVNQ-UHTWSYAYSA-N 2 1 251.399 2.011 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000036908055 361870943 /nfs/dbraw/zinc/87/09/43/361870943.db2.gz YQGYBNQEBUKBTB-KBXIAJHMSA-N 2 1 279.428 2.201 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000036908055 361870949 /nfs/dbraw/zinc/87/09/49/361870949.db2.gz YQGYBNQEBUKBTB-KBXIAJHMSA-N 2 1 279.428 2.201 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000036932157 361871866 /nfs/dbraw/zinc/87/18/66/361871866.db2.gz DDLIGLDJKDUBSN-UHFFFAOYSA-N 2 1 288.439 2.124 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000125449963 187185093 /nfs/dbraw/zinc/18/50/93/187185093.db2.gz IUJOVEBWRGMJKG-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000125449963 187185094 /nfs/dbraw/zinc/18/50/94/187185094.db2.gz IUJOVEBWRGMJKG-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP CC[C@@H]([NH2+]CC[NH3+])c1ccc(Br)cc1 ZINC000037712482 361923085 /nfs/dbraw/zinc/92/30/85/361923085.db2.gz IYRIVXKSRDKWRV-LLVKDONJSA-N 2 1 257.175 2.449 20 0 CEADMP CCOC(=O)C1CCC([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000037788196 361938797 /nfs/dbraw/zinc/93/87/97/361938797.db2.gz ZZACBEISXIQJQE-UHFFFAOYSA-N 2 1 282.428 2.182 20 0 CEADMP COCC1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000449254869 282159510 /nfs/dbraw/zinc/15/95/10/282159510.db2.gz ZAEBRRHEXOSJMP-UHFFFAOYSA-N 2 1 252.402 2.043 20 0 CEADMP CN1CCN(c2ccc(N[C@H]3CC[C@H]3C3CC3)nc2)CC1 ZINC000348375446 539031464 /nfs/dbraw/zinc/03/14/64/539031464.db2.gz KFUUEJUEAAEFIC-HOTGVXAUSA-N 2 1 286.423 2.434 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1(C)C ZINC000338010210 214358366 /nfs/dbraw/zinc/35/83/66/214358366.db2.gz JAYIFUABRURPAF-CVEARBPZSA-N 2 1 279.472 2.181 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC1CCOCC1 ZINC000338012246 214360824 /nfs/dbraw/zinc/36/08/24/214360824.db2.gz OMMFLTIFQGZYFG-CYBMUJFWSA-N 2 1 265.401 2.376 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(C)C ZINC000125679203 187196276 /nfs/dbraw/zinc/19/62/76/187196276.db2.gz PTQOFYKKXKYDRZ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(C)C ZINC000125679203 187196277 /nfs/dbraw/zinc/19/62/77/187196277.db2.gz PTQOFYKKXKYDRZ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(C)C ZINC000125679203 187196278 /nfs/dbraw/zinc/19/62/78/187196278.db2.gz PTQOFYKKXKYDRZ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000449318503 282186218 /nfs/dbraw/zinc/18/62/18/282186218.db2.gz GRSMQLLSDFUKIC-FPCVCCKLSA-N 2 1 295.471 2.131 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccn1 ZINC000621776818 349699532 /nfs/dbraw/zinc/69/95/32/349699532.db2.gz XCKCKWSVVMHYIF-YESZJQIVSA-N 2 1 289.423 2.108 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCCOc1ccccc1)C2 ZINC000621779319 349700031 /nfs/dbraw/zinc/70/00/31/349700031.db2.gz CQOKVLJFJFPYER-HOCLYGCPSA-N 2 1 260.381 2.269 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCCOc1ccccc1)C2 ZINC000621779319 349700035 /nfs/dbraw/zinc/70/00/35/349700035.db2.gz CQOKVLJFJFPYER-HOCLYGCPSA-N 2 1 260.381 2.269 20 0 CEADMP COc1nc(C)cc(C)c1C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000621778487 349700527 /nfs/dbraw/zinc/70/05/27/349700527.db2.gz QCFYTNBIJRXIOJ-CQSZACIVSA-N 2 1 277.412 2.138 20 0 CEADMP COc1ccc(OCCC[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621780163 349701059 /nfs/dbraw/zinc/70/10/59/349701059.db2.gz OBSQGQFDMHCLBS-PBHICJAKSA-N 2 1 290.407 2.277 20 0 CEADMP COc1ccc(OCCC[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621780163 349701063 /nfs/dbraw/zinc/70/10/63/349701063.db2.gz OBSQGQFDMHCLBS-PBHICJAKSA-N 2 1 290.407 2.277 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000305012151 539210945 /nfs/dbraw/zinc/21/09/45/539210945.db2.gz RHBBKCWZHMYKEI-KURKYZTESA-N 2 1 288.435 2.211 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000305012151 539210946 /nfs/dbraw/zinc/21/09/46/539210946.db2.gz RHBBKCWZHMYKEI-KURKYZTESA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCCC[NH3+])C1 ZINC000567730427 299083058 /nfs/dbraw/zinc/08/30/58/299083058.db2.gz AMUKVTCFQSSUMH-CVEARBPZSA-N 2 1 295.471 2.228 20 0 CEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000396824692 539217709 /nfs/dbraw/zinc/21/77/09/539217709.db2.gz FBEKIWFKOKHWJB-LSDHHAIUSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)C[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000396824692 539217710 /nfs/dbraw/zinc/21/77/10/539217710.db2.gz FBEKIWFKOKHWJB-LSDHHAIUSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)C[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000396824692 539217711 /nfs/dbraw/zinc/21/77/11/539217711.db2.gz FBEKIWFKOKHWJB-LSDHHAIUSA-N 2 1 256.434 2.198 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC000622004321 349764944 /nfs/dbraw/zinc/76/49/44/349764944.db2.gz NKGLBGYXSGTQAG-AEFFLSMTSA-N 2 1 286.419 2.367 20 0 CEADMP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3cccc4cc[nH]c43)CC2)C1 ZINC000668740480 539256167 /nfs/dbraw/zinc/25/61/67/539256167.db2.gz IYOWKNOFBTXMIM-KRWDZBQOSA-N 2 1 299.418 2.199 20 0 CEADMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3cccc4cc[nH]c43)CC2)C1 ZINC000668740480 539256168 /nfs/dbraw/zinc/25/61/68/539256168.db2.gz IYOWKNOFBTXMIM-KRWDZBQOSA-N 2 1 299.418 2.199 20 0 CEADMP C[NH+](C)CCN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749380 539266747 /nfs/dbraw/zinc/26/67/47/539266747.db2.gz ZMSVEGIQOTVXBS-MRXNPFEDSA-N 2 1 275.440 2.191 20 0 CEADMP C[NH+](C)CCN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677749380 539266750 /nfs/dbraw/zinc/26/67/50/539266750.db2.gz ZMSVEGIQOTVXBS-MRXNPFEDSA-N 2 1 275.440 2.191 20 0 CEADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CCC[N@H+]3C)ccc21 ZINC000334734287 282226486 /nfs/dbraw/zinc/22/64/86/282226486.db2.gz OMRJYFCEZNPEBP-CVEARBPZSA-N 2 1 287.407 2.268 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(CCOC2)CC1 ZINC000678084338 539292417 /nfs/dbraw/zinc/29/24/17/539292417.db2.gz SZZPMOQADHIDDO-UHFFFAOYSA-N 2 1 277.412 2.474 20 0 CEADMP CCN(C(=O)CC[C@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000622146265 349803256 /nfs/dbraw/zinc/80/32/56/349803256.db2.gz MUWJSECGRGHWDI-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CC)C1 ZINC000622146265 349803258 /nfs/dbraw/zinc/80/32/58/349803258.db2.gz MUWJSECGRGHWDI-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)CC[C@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CC)C1 ZINC000622146265 349803260 /nfs/dbraw/zinc/80/32/60/349803260.db2.gz MUWJSECGRGHWDI-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1cc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)nc(C)[nH+]1 ZINC000436450115 539302284 /nfs/dbraw/zinc/30/22/84/539302284.db2.gz HCANEHUGKKFULG-HNNXBMFYSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1cc(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)nc(C)[nH+]1 ZINC000436450115 539302286 /nfs/dbraw/zinc/30/22/86/539302286.db2.gz HCANEHUGKKFULG-HNNXBMFYSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](C)CC[C@@H]1C ZINC000346150944 282250902 /nfs/dbraw/zinc/25/09/02/282250902.db2.gz NRFFLICKIBCZQB-AWEZNQCLSA-N 2 1 299.422 2.102 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449478701 282252755 /nfs/dbraw/zinc/25/27/55/282252755.db2.gz KRUQLJNTRDRMFQ-OAHLLOKOSA-N 2 1 296.455 2.036 20 0 CEADMP Cc1cccnc1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449491969 282256819 /nfs/dbraw/zinc/25/68/19/282256819.db2.gz IEQDRSCAAHFVBZ-UHFFFAOYSA-N 2 1 290.436 2.240 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccnn2CC)C1 ZINC000351221211 219084725 /nfs/dbraw/zinc/08/47/25/219084725.db2.gz FUSBPABYOVPEFN-HNNXBMFYSA-N 2 1 278.444 2.109 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccnn2CC)C1 ZINC000351221211 219084726 /nfs/dbraw/zinc/08/47/26/219084726.db2.gz FUSBPABYOVPEFN-HNNXBMFYSA-N 2 1 278.444 2.109 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccnn2CC)C1 ZINC000351221211 219084727 /nfs/dbraw/zinc/08/47/27/219084727.db2.gz FUSBPABYOVPEFN-HNNXBMFYSA-N 2 1 278.444 2.109 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccnn2CC)C1 ZINC000351221211 219084728 /nfs/dbraw/zinc/08/47/28/219084728.db2.gz FUSBPABYOVPEFN-HNNXBMFYSA-N 2 1 278.444 2.109 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000040621593 343437845 /nfs/dbraw/zinc/43/78/45/343437845.db2.gz GPWOBRDWIIXSMZ-HNNXBMFYSA-N 2 1 290.407 2.293 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000040621593 343437848 /nfs/dbraw/zinc/43/78/48/343437848.db2.gz GPWOBRDWIIXSMZ-HNNXBMFYSA-N 2 1 290.407 2.293 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000070351540 539321233 /nfs/dbraw/zinc/32/12/33/539321233.db2.gz UAEWRLLATLQKPM-KBUPBQIOSA-N 2 1 252.402 2.160 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000070351540 539321234 /nfs/dbraw/zinc/32/12/34/539321234.db2.gz UAEWRLLATLQKPM-KBUPBQIOSA-N 2 1 252.402 2.160 20 0 CEADMP Cc1sccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000295006184 199296364 /nfs/dbraw/zinc/29/63/64/199296364.db2.gz VFUCWKBOUUJLEW-UHFFFAOYSA-N 2 1 293.480 2.270 20 0 CEADMP Cn1cc(CCC[NH+]2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000054317307 343588133 /nfs/dbraw/zinc/58/81/33/343588133.db2.gz PCVNZGGJEPTONR-UHFFFAOYSA-N 2 1 290.455 2.303 20 0 CEADMP Cc1ccc(F)c(CC[NH2+]C2CC[NH+](C)CC2)c1 ZINC000449552868 282281181 /nfs/dbraw/zinc/28/11/81/282281181.db2.gz KTFHRUFHGCYYIT-UHFFFAOYSA-N 2 1 250.361 2.360 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000336714806 365778709 /nfs/dbraw/zinc/77/87/09/365778709.db2.gz NZDKPOAUQGVSRU-HNNXBMFYSA-N 3 1 263.429 2.226 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]CCCN(C)Cc1ccccc1 ZINC000336714806 365778711 /nfs/dbraw/zinc/77/87/11/365778711.db2.gz NZDKPOAUQGVSRU-HNNXBMFYSA-N 2 1 263.429 2.226 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000336718257 365782529 /nfs/dbraw/zinc/78/25/29/365782529.db2.gz RKABHSMJDBLFNZ-CEXWTWQISA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000336718257 365782536 /nfs/dbraw/zinc/78/25/36/365782536.db2.gz RKABHSMJDBLFNZ-CEXWTWQISA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000336718257 365782543 /nfs/dbraw/zinc/78/25/43/365782543.db2.gz RKABHSMJDBLFNZ-CEXWTWQISA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000336718257 365782551 /nfs/dbraw/zinc/78/25/51/365782551.db2.gz RKABHSMJDBLFNZ-CEXWTWQISA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000336718257 365782559 /nfs/dbraw/zinc/78/25/59/365782559.db2.gz RKABHSMJDBLFNZ-CEXWTWQISA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc2c(c1)ccnc2C[NH2+]CCC[NH2+]C1CC1 ZINC000228411115 539341121 /nfs/dbraw/zinc/34/11/21/539341121.db2.gz XTJAMVNNIBFSMR-UHFFFAOYSA-N 2 1 255.365 2.467 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071400155 343801105 /nfs/dbraw/zinc/80/11/05/343801105.db2.gz UPHQUGIOBQPBDK-HOTGVXAUSA-N 2 1 289.423 2.067 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000273172684 192065938 /nfs/dbraw/zinc/06/59/38/192065938.db2.gz CFHURWNUPGBFTC-OLZOCXBDSA-N 2 1 295.427 2.165 20 0 CEADMP CO[C@@]1(C)CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000336783411 365799616 /nfs/dbraw/zinc/79/96/16/365799616.db2.gz MTICAQFNADLCJU-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP CO[C@@]1(C)CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000336783411 365799618 /nfs/dbraw/zinc/79/96/18/365799618.db2.gz MTICAQFNADLCJU-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]([NH3+])C[C@@H]2C)c1C ZINC000124589110 344315645 /nfs/dbraw/zinc/31/56/45/344315645.db2.gz WTWNZSDAPHYDJC-AAEUAGOBSA-N 2 1 263.385 2.019 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CC2=CCCOC2)C1 ZINC000126522523 344324478 /nfs/dbraw/zinc/32/44/78/344324478.db2.gz ZZPMTLRSGKVBMI-GASCZTMLSA-N 2 1 266.429 2.291 20 0 CEADMP C([C@@H]1CCCO1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157512212 344446819 /nfs/dbraw/zinc/44/68/19/344446819.db2.gz QNUYEFDJMUPGAZ-CABCVRRESA-N 2 1 252.402 2.116 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000170802491 344490446 /nfs/dbraw/zinc/49/04/46/344490446.db2.gz JIRVPUJXELJMEQ-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000190987573 344513824 /nfs/dbraw/zinc/51/38/24/344513824.db2.gz OCMOKMJNVPXTRI-INIZCTEOSA-N 2 1 290.455 2.358 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000190987573 344513825 /nfs/dbraw/zinc/51/38/25/344513825.db2.gz OCMOKMJNVPXTRI-INIZCTEOSA-N 2 1 290.455 2.358 20 0 CEADMP C([C@H]1CCCCO1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051924917 362452293 /nfs/dbraw/zinc/45/22/93/362452293.db2.gz YDUHMENZSCJQSW-OAHLLOKOSA-N 2 1 252.402 2.116 20 0 CEADMP COCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000449740943 282348161 /nfs/dbraw/zinc/34/81/61/282348161.db2.gz IFGWPYZXDHNQKN-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP C[NH2+]Cc1noc(-c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000414502535 530011525 /nfs/dbraw/zinc/01/15/25/530011525.db2.gz PKYGUQQKPPJRET-UHFFFAOYSA-N 2 1 286.379 2.442 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000252219800 344638958 /nfs/dbraw/zinc/63/89/58/344638958.db2.gz YSHKJDCNOYEAJD-KFWWJZLASA-N 3 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000252219800 344638961 /nfs/dbraw/zinc/63/89/61/344638961.db2.gz YSHKJDCNOYEAJD-KFWWJZLASA-N 3 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000252219800 344638965 /nfs/dbraw/zinc/63/89/65/344638965.db2.gz YSHKJDCNOYEAJD-KFWWJZLASA-N 3 1 253.434 2.110 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(F)c1 ZINC000311991555 344736815 /nfs/dbraw/zinc/73/68/15/344736815.db2.gz OMNHKXXMBQVSPU-IAQYHMDHSA-N 2 1 266.360 2.251 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(F)c1 ZINC000311991555 344736816 /nfs/dbraw/zinc/73/68/16/344736816.db2.gz OMNHKXXMBQVSPU-IAQYHMDHSA-N 2 1 266.360 2.251 20 0 CEADMP COc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000312286656 344737978 /nfs/dbraw/zinc/73/79/78/344737978.db2.gz RUALDDLRQNOBAI-LBPRGKRZSA-N 2 1 266.360 2.266 20 0 CEADMP COc1cc(F)cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000312286656 344737981 /nfs/dbraw/zinc/73/79/81/344737981.db2.gz RUALDDLRQNOBAI-LBPRGKRZSA-N 2 1 266.360 2.266 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCCC1CCOCC1 ZINC000302301737 344703633 /nfs/dbraw/zinc/70/36/33/344703633.db2.gz ZSMDRMXTRXTGNR-ZFWWWQNUSA-N 2 1 254.418 2.395 20 0 CEADMP CC[N@@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[NH2+]CC1 ZINC000568051453 299113891 /nfs/dbraw/zinc/11/38/91/299113891.db2.gz MQWVEOFKWAPCJO-ZNMIVQPWSA-N 2 1 254.418 2.002 20 0 CEADMP CCCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CCC1 ZINC000351609669 219146341 /nfs/dbraw/zinc/14/63/41/219146341.db2.gz MBTPRTFUPYNPKS-HOTGVXAUSA-N 2 1 268.445 2.390 20 0 CEADMP CCCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CCC1 ZINC000351609669 219146343 /nfs/dbraw/zinc/14/63/43/219146343.db2.gz MBTPRTFUPYNPKS-HOTGVXAUSA-N 2 1 268.445 2.390 20 0 CEADMP CC[NH2+]CCCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584834065 344991129 /nfs/dbraw/zinc/99/11/29/344991129.db2.gz RGKRLVMTYBWLTJ-WMZOPIPTSA-N 2 1 289.467 2.486 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584834065 344991131 /nfs/dbraw/zinc/99/11/31/344991131.db2.gz RGKRLVMTYBWLTJ-WMZOPIPTSA-N 3 1 289.467 2.486 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584834065 344991132 /nfs/dbraw/zinc/99/11/32/344991132.db2.gz RGKRLVMTYBWLTJ-WMZOPIPTSA-N 3 1 289.467 2.486 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000351628362 219151598 /nfs/dbraw/zinc/15/15/98/219151598.db2.gz JOFDWYFKTPDXNV-ZBFHGGJFSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000351628362 219151601 /nfs/dbraw/zinc/15/16/01/219151601.db2.gz JOFDWYFKTPDXNV-ZBFHGGJFSA-N 2 1 279.428 2.455 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589647114 345092646 /nfs/dbraw/zinc/09/26/46/345092646.db2.gz JUBQWAVAJITORH-ZDUSSCGKSA-N 2 1 272.396 2.384 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589647114 345092648 /nfs/dbraw/zinc/09/26/48/345092648.db2.gz JUBQWAVAJITORH-ZDUSSCGKSA-N 2 1 272.396 2.384 20 0 CEADMP CCOC(=O)CCC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000591272400 345236735 /nfs/dbraw/zinc/23/67/35/345236735.db2.gz IKCCFUYUXNSOCB-HNNXBMFYSA-N 2 1 284.444 2.415 20 0 CEADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000591272422 345236927 /nfs/dbraw/zinc/23/69/27/345236927.db2.gz JUDJBNOUEPPEEV-OWCLPIDISA-N 2 1 296.455 2.430 20 0 CEADMP CC[NH+]1CCC(C[NH2+]Cc2n[nH]c3ccccc32)CC1 ZINC000591708122 345274494 /nfs/dbraw/zinc/27/44/94/345274494.db2.gz RDAFSKKWKLRNJD-UHFFFAOYSA-N 2 1 272.396 2.384 20 0 CEADMP COC(=O)c1ccc(Cl)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000592438427 345353663 /nfs/dbraw/zinc/35/36/63/345353663.db2.gz MHPNRRADOSGXLG-UWVGGRQHSA-N 2 1 284.787 2.342 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593730784 345528511 /nfs/dbraw/zinc/52/85/11/345528511.db2.gz GABXBKJPVUCSFQ-KGLIPLIRSA-N 2 1 270.417 2.169 20 0 CEADMP COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC(CC[NH3+])CC1 ZINC000593731045 345528713 /nfs/dbraw/zinc/52/87/13/345528713.db2.gz SZLREGCXDZDPFJ-MRXNPFEDSA-N 2 1 290.407 2.270 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000623086220 349933493 /nfs/dbraw/zinc/93/34/93/349933493.db2.gz CVNLAXSTTPIXNS-CYBMUJFWSA-N 2 1 292.408 2.060 20 0 CEADMP CC(C)(C)[C@H](CCO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594499603 345639207 /nfs/dbraw/zinc/63/92/07/345639207.db2.gz HLYWFHNENWIDKZ-CVEARBPZSA-N 2 1 298.471 2.017 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000623085743 349933652 /nfs/dbraw/zinc/93/36/52/349933652.db2.gz BZJDKTJXLKWFLS-UHFFFAOYSA-N 2 1 299.353 2.077 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000623085777 349933853 /nfs/dbraw/zinc/93/38/53/349933853.db2.gz FBFFRGJBKZXBAZ-UHFFFAOYSA-N 2 1 288.376 2.469 20 0 CEADMP COC(=O)CC1CC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000595082031 345740422 /nfs/dbraw/zinc/74/04/22/345740422.db2.gz WUGNHFBNTYQCGZ-SHARSMKWSA-N 2 1 294.439 2.325 20 0 CEADMP COC(=O)CC1CC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000595082031 345740425 /nfs/dbraw/zinc/74/04/25/345740425.db2.gz WUGNHFBNTYQCGZ-SHARSMKWSA-N 2 1 294.439 2.325 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000594927696 345704881 /nfs/dbraw/zinc/70/48/81/345704881.db2.gz QHUBDAXKFGSEQQ-YCCFLXJFSA-N 2 1 296.455 2.284 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000594927690 345704952 /nfs/dbraw/zinc/70/49/52/345704952.db2.gz QHUBDAXKFGSEQQ-DEQQHWRFSA-N 2 1 296.455 2.284 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)CC(C)(C)CC(=O)OC)CC1 ZINC000595003093 345724073 /nfs/dbraw/zinc/72/40/73/345724073.db2.gz CZCWNRKDEZYSRC-CYBMUJFWSA-N 2 1 284.444 2.428 20 0 CEADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000595025311 345730383 /nfs/dbraw/zinc/73/03/83/345730383.db2.gz FXLMIPSWSZAQEO-ZDUSSCGKSA-N 2 1 282.428 2.206 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC[N@@H+]1C ZINC000156583659 232237041 /nfs/dbraw/zinc/23/70/41/232237041.db2.gz XCBRBQVYMSTAAU-JHJVBQTASA-N 2 1 254.418 2.405 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC[N@H+]1C ZINC000156583659 232237043 /nfs/dbraw/zinc/23/70/43/232237043.db2.gz XCBRBQVYMSTAAU-JHJVBQTASA-N 2 1 254.418 2.405 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)s1 ZINC000172805703 232273133 /nfs/dbraw/zinc/27/31/33/232273133.db2.gz GTRZMAWQIRLJHF-LBPRGKRZSA-N 2 1 253.415 2.143 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)s1 ZINC000172805703 232273136 /nfs/dbraw/zinc/27/31/36/232273136.db2.gz GTRZMAWQIRLJHF-LBPRGKRZSA-N 2 1 253.415 2.143 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000595887113 345906168 /nfs/dbraw/zinc/90/61/68/345906168.db2.gz ATDFCZUNOHIBIU-RWMBFGLXSA-N 2 1 294.420 2.094 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000595887113 345906169 /nfs/dbraw/zinc/90/61/69/345906169.db2.gz ATDFCZUNOHIBIU-RWMBFGLXSA-N 2 1 294.420 2.094 20 0 CEADMP Cc1cnc(C(C)(C)[NH2+]CCn2cc[nH+]c2C)s1 ZINC000273272157 192095461 /nfs/dbraw/zinc/09/54/61/192095461.db2.gz HMTUSQDCQNDBHP-UHFFFAOYSA-N 2 1 264.398 2.481 20 0 CEADMP CO[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC[C@@H]1C ZINC000230312435 539523985 /nfs/dbraw/zinc/52/39/85/539523985.db2.gz MZVTVSJMXAVRAU-GUYCJALGSA-N 2 1 274.408 2.189 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)n1C ZINC000597088963 346127565 /nfs/dbraw/zinc/12/75/65/346127565.db2.gz PIUNYNLIPMAEFC-CQSZACIVSA-N 2 1 293.411 2.282 20 0 CEADMP COC[C@]1(C)CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000295127491 199359480 /nfs/dbraw/zinc/35/94/80/199359480.db2.gz OAUSSRQTQSPDHD-OAHLLOKOSA-N 2 1 259.353 2.193 20 0 CEADMP C(CC1CCOCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336790383 365811339 /nfs/dbraw/zinc/81/13/39/365811339.db2.gz LIXJJFWGKCLHJV-UHFFFAOYSA-N 2 1 252.402 2.020 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000599025857 346448539 /nfs/dbraw/zinc/44/85/39/346448539.db2.gz SDDGRUVABBJNSX-CKUJCDMFSA-N 2 1 294.439 2.325 20 0 CEADMP C[C@H](CSCCF)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000599071700 346455689 /nfs/dbraw/zinc/45/56/89/346455689.db2.gz SQLMRTPVJXMNBF-CHWSQXEVSA-N 2 1 262.438 2.399 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000063165938 362753067 /nfs/dbraw/zinc/75/30/67/362753067.db2.gz YQTNZXBEXQOENW-UHFFFAOYSA-N 2 1 286.379 2.168 20 0 CEADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000063165794 362753596 /nfs/dbraw/zinc/75/35/96/362753596.db2.gz BDIKIIMYAKQXPM-UHFFFAOYSA-N 2 1 295.814 2.210 20 0 CEADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]2CCCO[C@@H]21 ZINC000085674316 179111777 /nfs/dbraw/zinc/11/17/77/179111777.db2.gz KRKZPWPCNJRNCB-HNKHHVNMSA-N 2 1 278.440 2.264 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](Cc2cnns2)CC1 ZINC000336797242 365821109 /nfs/dbraw/zinc/82/11/09/365821109.db2.gz ZVLLEOGOADMYAE-UHFFFAOYSA-N 2 1 268.430 2.092 20 0 CEADMP COC(=O)C1C[C@H](C)[NH+](CCCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000599690765 346568163 /nfs/dbraw/zinc/56/81/63/346568163.db2.gz LJAOVWTYDBSSMY-STQMWFEESA-N 2 1 293.411 2.015 20 0 CEADMP CC(C)n1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000336802386 365834261 /nfs/dbraw/zinc/83/42/61/365834261.db2.gz UIILRCUPUKZRFY-UHFFFAOYSA-N 2 1 264.417 2.238 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000600964102 346721214 /nfs/dbraw/zinc/72/12/14/346721214.db2.gz UTXQSIPKDTUOPD-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCOC)[C@H](C)C1 ZINC000129455304 365861517 /nfs/dbraw/zinc/86/15/17/365861517.db2.gz AXDGAVLZYUZYLB-KGLIPLIRSA-N 2 1 256.434 2.369 20 0 CEADMP CC[NH+](CC)CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000063722829 362773962 /nfs/dbraw/zinc/77/39/62/362773962.db2.gz HKOVWVWXFVGVOY-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP CCOC(=O)C(CC)(CC)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602732809 347177144 /nfs/dbraw/zinc/17/71/44/347177144.db2.gz KYATYMIIKXUVKP-KGLIPLIRSA-N 2 1 284.444 2.428 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCCF)[C@H](C)C1 ZINC000351823067 219216410 /nfs/dbraw/zinc/21/64/10/219216410.db2.gz KYZBSPIFFBOPJA-HUUCEWRRSA-N 2 1 274.424 2.463 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC000605435914 347449804 /nfs/dbraw/zinc/44/98/04/347449804.db2.gz GAZNRHOCUAGCDL-GOSISDBHSA-N 2 1 287.451 2.243 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2nc(C)cc2C)[C@@H](C)C1 ZINC000336825236 365884676 /nfs/dbraw/zinc/88/46/76/365884676.db2.gz XRSFUJGQLKRYPK-XJKSGUPXSA-N 2 1 278.444 2.162 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2nc(C)cc2C)[C@@H](C)C1 ZINC000336825236 365884680 /nfs/dbraw/zinc/88/46/80/365884680.db2.gz XRSFUJGQLKRYPK-XJKSGUPXSA-N 2 1 278.444 2.162 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2nc(C)cc2C)[C@@H](C)C1 ZINC000336825236 365884686 /nfs/dbraw/zinc/88/46/86/365884686.db2.gz XRSFUJGQLKRYPK-XJKSGUPXSA-N 2 1 278.444 2.162 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351860302 219227570 /nfs/dbraw/zinc/22/75/70/219227570.db2.gz GPWVFKAPCMIOML-VNHYZAJKSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351860302 219227572 /nfs/dbraw/zinc/22/75/72/219227572.db2.gz GPWVFKAPCMIOML-VNHYZAJKSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000351860303 219228345 /nfs/dbraw/zinc/22/83/45/219228345.db2.gz GPWVFKAPCMIOML-YDHLFZDLSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000351860303 219228348 /nfs/dbraw/zinc/22/83/48/219228348.db2.gz GPWVFKAPCMIOML-YDHLFZDLSA-N 2 1 289.423 2.245 20 0 CEADMP CCOC(=O)CC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC1CC1 ZINC000611243469 347757474 /nfs/dbraw/zinc/75/74/74/347757474.db2.gz AJRCCTFKMQZXCN-HNNXBMFYSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC1CC1 ZINC000611243469 347757478 /nfs/dbraw/zinc/75/74/78/347757478.db2.gz AJRCCTFKMQZXCN-HNNXBMFYSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CC[NH+](CC[C@@H]1CCC[N@H+]1C)CC1CC1 ZINC000611243469 347757482 /nfs/dbraw/zinc/75/74/82/347757482.db2.gz AJRCCTFKMQZXCN-HNNXBMFYSA-N 2 1 282.428 2.136 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](CCC2CCOCC2)CC1 ZINC000336847544 365924559 /nfs/dbraw/zinc/92/45/59/365924559.db2.gz FLYOEYCNTRUUMO-UHFFFAOYSA-N 2 1 291.439 2.491 20 0 CEADMP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336853239 365927313 /nfs/dbraw/zinc/92/73/13/365927313.db2.gz FYAXTBAZAXRFIT-HOTGVXAUSA-N 2 1 297.406 2.188 20 0 CEADMP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336853239 365927320 /nfs/dbraw/zinc/92/73/20/365927320.db2.gz FYAXTBAZAXRFIT-HOTGVXAUSA-N 2 1 297.406 2.188 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)cn1 ZINC000334299623 539589239 /nfs/dbraw/zinc/58/92/39/539589239.db2.gz RIPYDMQUVNTSLR-GOSISDBHSA-N 2 1 296.418 2.448 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000339415790 215157817 /nfs/dbraw/zinc/15/78/17/215157817.db2.gz UXZXPJYQOJIOHT-GOEBONIOSA-N 2 1 261.413 2.382 20 0 CEADMP Cc1ccc(C)c([C@@H]2C[N@H+](CCOCC[NH3+])[C@@H](C)CO2)c1 ZINC000357070033 233003295 /nfs/dbraw/zinc/00/32/95/233003295.db2.gz FPBNEFANWZEQGF-RDJZCZTQSA-N 2 1 292.423 2.041 20 0 CEADMP Cc1ccc(C)c([C@@H]2C[N@@H+](CCOCC[NH3+])[C@@H](C)CO2)c1 ZINC000357070033 233003302 /nfs/dbraw/zinc/00/33/02/233003302.db2.gz FPBNEFANWZEQGF-RDJZCZTQSA-N 2 1 292.423 2.041 20 0 CEADMP C[C@H](C(=O)NCC1([NH+](C)C)CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357117959 233009665 /nfs/dbraw/zinc/00/96/65/233009665.db2.gz POWCUEWXKSUESA-QLFBSQMISA-N 2 1 295.471 2.238 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)[C@@H]1CCCO1 ZINC000087266369 539631956 /nfs/dbraw/zinc/63/19/56/539631956.db2.gz LQONZFGCNBFGEK-QLFBSQMISA-N 2 1 252.402 2.020 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623355573 349996468 /nfs/dbraw/zinc/99/64/68/349996468.db2.gz OSUFOGJGXVYCKX-CABCVRRESA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H](C[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623355579 349997051 /nfs/dbraw/zinc/99/70/51/349997051.db2.gz OSUFOGJGXVYCKX-LSDHHAIUSA-N 2 1 267.461 2.323 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000459731694 290219897 /nfs/dbraw/zinc/21/98/97/290219897.db2.gz FPOXAQMPZRVISN-CYBMUJFWSA-N 2 1 289.414 2.037 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339073720 539657986 /nfs/dbraw/zinc/65/79/86/539657986.db2.gz DSTIUNKVSJSSMD-BBWFWOEESA-N 2 1 279.472 2.467 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339073720 539657991 /nfs/dbraw/zinc/65/79/91/539657991.db2.gz DSTIUNKVSJSSMD-BBWFWOEESA-N 2 1 279.472 2.467 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339073720 539657998 /nfs/dbraw/zinc/65/79/98/539657998.db2.gz DSTIUNKVSJSSMD-BBWFWOEESA-N 2 1 279.472 2.467 20 0 CEADMP Cc1csc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000617507570 348718034 /nfs/dbraw/zinc/71/80/34/348718034.db2.gz AHUBAUAMGZAUAO-ZDUSSCGKSA-N 2 1 297.468 2.058 20 0 CEADMP Cc1csc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617507570 348718036 /nfs/dbraw/zinc/71/80/36/348718036.db2.gz AHUBAUAMGZAUAO-ZDUSSCGKSA-N 2 1 297.468 2.058 20 0 CEADMP Cc1cscc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617505556 348718692 /nfs/dbraw/zinc/71/86/92/348718692.db2.gz HPTMEYMKYVRLBZ-ZDUSSCGKSA-N 2 1 297.468 2.058 20 0 CEADMP Cc1cscc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617505556 348718694 /nfs/dbraw/zinc/71/86/94/348718694.db2.gz HPTMEYMKYVRLBZ-ZDUSSCGKSA-N 2 1 297.468 2.058 20 0 CEADMP Oc1ccccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068777 539660283 /nfs/dbraw/zinc/66/02/83/539660283.db2.gz NECBEIGQIMKRKL-GJZGRUSLSA-N 2 1 260.381 2.151 20 0 CEADMP CCN(C(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000617552775 348728658 /nfs/dbraw/zinc/72/86/58/348728658.db2.gz VFBGGABVUPERSQ-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)CC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH+](C)C1 ZINC000617552775 348728661 /nfs/dbraw/zinc/72/86/61/348728661.db2.gz VFBGGABVUPERSQ-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](C)C1 ZINC000617552775 348728664 /nfs/dbraw/zinc/72/86/64/348728664.db2.gz VFBGGABVUPERSQ-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000339253445 539676731 /nfs/dbraw/zinc/67/67/31/539676731.db2.gz IBCCELDQBAOIED-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@@H]1CC[N@@H+](CC)C1 ZINC000617925072 348825389 /nfs/dbraw/zinc/82/53/89/348825389.db2.gz DVUAAPDZOFQBCZ-ZIAGYGMSSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@@H](Nc1cc[nH+]c(N(C)C)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000357663895 233119650 /nfs/dbraw/zinc/11/96/50/233119650.db2.gz SKQHNLYAGCSZBJ-CJNGLKHVSA-N 2 1 299.422 2.068 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357836004 233155643 /nfs/dbraw/zinc/15/56/43/233155643.db2.gz RBJFXCKVEGUYRV-OAGGEKHMSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357836004 233155648 /nfs/dbraw/zinc/15/56/48/233155648.db2.gz RBJFXCKVEGUYRV-OAGGEKHMSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357836004 233155653 /nfs/dbraw/zinc/15/56/53/233155653.db2.gz RBJFXCKVEGUYRV-OAGGEKHMSA-N 3 1 281.488 2.427 20 0 CEADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411233985 233232212 /nfs/dbraw/zinc/23/22/12/233232212.db2.gz DFKQMHUPWALCQE-KRWDZBQOSA-N 2 1 274.408 2.239 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000352044068 219300547 /nfs/dbraw/zinc/30/05/47/219300547.db2.gz DRFWLKVIIYDCFO-WCVJEAGWSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@@H](CO)[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411402777 233244245 /nfs/dbraw/zinc/24/42/45/233244245.db2.gz RFRRBHYXYDMGBF-HNNXBMFYSA-N 2 1 276.424 2.485 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000620623923 349407287 /nfs/dbraw/zinc/40/72/87/349407287.db2.gz INPFSZNNKWEJLV-KFWWJZLASA-N 2 1 297.487 2.484 20 0 CEADMP CC[N@H+]1CCC[C@@H](CN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623384913 350006345 /nfs/dbraw/zinc/00/63/45/350006345.db2.gz RLJOJLOLHIDOHY-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC[C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623384913 350006347 /nfs/dbraw/zinc/00/63/47/350006347.db2.gz RLJOJLOLHIDOHY-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC[C@@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623384913 350006349 /nfs/dbraw/zinc/00/63/49/350006349.db2.gz RLJOJLOLHIDOHY-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623384913 350006352 /nfs/dbraw/zinc/00/63/52/350006352.db2.gz RLJOJLOLHIDOHY-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623384913 350006354 /nfs/dbraw/zinc/00/63/54/350006354.db2.gz RLJOJLOLHIDOHY-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623384913 350006360 /nfs/dbraw/zinc/00/63/60/350006360.db2.gz RLJOJLOLHIDOHY-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CC1(C)C ZINC000623402506 350010337 /nfs/dbraw/zinc/01/03/37/350010337.db2.gz NIMNSEYUTOZIOT-OAHLLOKOSA-N 2 1 299.422 2.230 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1C1CC1 ZINC000623412340 350012911 /nfs/dbraw/zinc/01/29/11/350012911.db2.gz DSCCYHBLJYYMQQ-SIXLDLHFSA-N 2 1 280.456 2.248 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)CO)CC1(C)C ZINC000623428844 350018659 /nfs/dbraw/zinc/01/86/59/350018659.db2.gz AVYOWKJURFSZJS-ZDUSSCGKSA-N 2 1 256.434 2.248 20 0 CEADMP Cc1ccccc1[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623438257 350020321 /nfs/dbraw/zinc/02/03/21/350020321.db2.gz SICHJNZJNPHWLF-GDBMZVCRSA-N 2 1 276.424 2.491 20 0 CEADMP Cc1ccccc1[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623438257 350020324 /nfs/dbraw/zinc/02/03/24/350020324.db2.gz SICHJNZJNPHWLF-GDBMZVCRSA-N 2 1 276.424 2.491 20 0 CEADMP C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623447657 350022858 /nfs/dbraw/zinc/02/28/58/350022858.db2.gz ZQUAYGCUYRBSBF-MGPQQGTHSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000271206687 191000042 /nfs/dbraw/zinc/00/00/42/191000042.db2.gz GLAWBAMIMCIHIA-HOCLYGCPSA-N 2 1 287.411 2.361 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000271206687 191000044 /nfs/dbraw/zinc/00/00/44/191000044.db2.gz GLAWBAMIMCIHIA-HOCLYGCPSA-N 2 1 287.411 2.361 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000623656609 350075950 /nfs/dbraw/zinc/07/59/50/350075950.db2.gz YJZYNLZJKPMMLG-MRXNPFEDSA-N 2 1 299.422 2.089 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623657122 350075963 /nfs/dbraw/zinc/07/59/63/350075963.db2.gz KCOROSNKMTYNIP-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CCCC[C@@H](CNCc2cc(-c3cccnc3)n[nH]2)C1 ZINC000623656049 350076290 /nfs/dbraw/zinc/07/62/90/350076290.db2.gz LUVUYMKTVJIUJG-AWEZNQCLSA-N 2 1 299.422 2.293 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000623656049 350076294 /nfs/dbraw/zinc/07/62/94/350076294.db2.gz LUVUYMKTVJIUJG-AWEZNQCLSA-N 2 1 299.422 2.293 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000623656049 350076297 /nfs/dbraw/zinc/07/62/97/350076297.db2.gz LUVUYMKTVJIUJG-AWEZNQCLSA-N 2 1 299.422 2.293 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623658243 350077414 /nfs/dbraw/zinc/07/74/14/350077414.db2.gz OYIPWHYQTRPRLE-CYBMUJFWSA-N 2 1 272.396 2.384 20 0 CEADMP C[N@H+]1CC[C@@H](N[C@H](CO)c2ccsc2)CC1(C)C ZINC000623494993 350033993 /nfs/dbraw/zinc/03/39/93/350033993.db2.gz MFGVFWBAAMUEIG-CHWSQXEVSA-N 2 1 268.426 2.244 20 0 CEADMP Cc1cccc(C[C@@H](CO)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623504342 350036757 /nfs/dbraw/zinc/03/67/57/350036757.db2.gz KGPREZIEUOYGSC-IRXDYDNUSA-N 2 1 290.451 2.361 20 0 CEADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623514478 350039229 /nfs/dbraw/zinc/03/92/29/350039229.db2.gz PFFMHVGLVWDXAX-IHRRRGAJSA-N 2 1 254.418 2.406 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](CCc2cncs2)CC1 ZINC000411641722 233265550 /nfs/dbraw/zinc/26/55/50/233265550.db2.gz XEIZYXQCYNAEJB-LBPRGKRZSA-N 2 1 253.415 2.102 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCc2cncs2)CC1 ZINC000411641722 233265553 /nfs/dbraw/zinc/26/55/53/233265553.db2.gz XEIZYXQCYNAEJB-LBPRGKRZSA-N 2 1 253.415 2.102 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CF)CCOCC2)CC1(C)C ZINC000623539264 350045105 /nfs/dbraw/zinc/04/51/05/350045105.db2.gz HSRBDBWFQCFLES-CYBMUJFWSA-N 2 1 272.408 2.215 20 0 CEADMP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623557202 350049571 /nfs/dbraw/zinc/04/95/71/350049571.db2.gz OAKCIJXZULPUOE-MELADBBJSA-N 2 1 256.434 2.246 20 0 CEADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623559891 350050462 /nfs/dbraw/zinc/05/04/62/350050462.db2.gz PFFMHVGLVWDXAX-MGPQQGTHSA-N 2 1 254.418 2.406 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@H]2CC[NH+]2C(C)(C)C)CC1(C)C ZINC000623562328 350051764 /nfs/dbraw/zinc/05/17/64/350051764.db2.gz OPGPZDFOFRHSAL-UONOGXRCSA-N 2 1 267.461 2.322 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN2C(C)(C)C)CC1(C)C ZINC000623562328 350051773 /nfs/dbraw/zinc/05/17/73/350051773.db2.gz OPGPZDFOFRHSAL-UONOGXRCSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)O1 ZINC000623570218 350053213 /nfs/dbraw/zinc/05/32/13/350053213.db2.gz LEEADJJKNVZYLB-MGPQQGTHSA-N 2 1 254.418 2.406 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000623602550 350062092 /nfs/dbraw/zinc/06/20/92/350062092.db2.gz VKYNXLZLEVSSAW-KRWDZBQOSA-N 2 1 297.402 2.379 20 0 CEADMP O[C@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000623750467 350101545 /nfs/dbraw/zinc/10/15/45/350101545.db2.gz IRZBIRSGNRDBKK-WOVMCDHWSA-N 2 1 274.408 2.012 20 0 CEADMP Cc1ccc(NC(=O)C[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC000090694150 180026429 /nfs/dbraw/zinc/02/64/29/180026429.db2.gz ZMCIHBVTIALYOZ-UHFFFAOYSA-N 2 1 289.423 2.255 20 0 CEADMP C[C@H](O)C[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411747228 233276774 /nfs/dbraw/zinc/27/67/74/233276774.db2.gz VQIDEKIKDBLXBP-HNNXBMFYSA-N 2 1 276.424 2.485 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)CC[N@H+]1C ZINC000090721377 180032268 /nfs/dbraw/zinc/03/22/68/180032268.db2.gz YERPTKRQGHUKFM-GDBMZVCRSA-N 2 1 284.407 2.445 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CCOCC1 ZINC000624121244 350198837 /nfs/dbraw/zinc/19/88/37/350198837.db2.gz RBMMEHBMEDTCSL-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000624183627 350221844 /nfs/dbraw/zinc/22/18/44/350221844.db2.gz XSBZVVGNYVUTNG-AZGDMVHKSA-N 2 1 296.455 2.031 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412097152 233340075 /nfs/dbraw/zinc/34/00/75/233340075.db2.gz UWSPARUXYSSFSA-DZGCQCFKSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412097152 233340078 /nfs/dbraw/zinc/34/00/78/233340078.db2.gz UWSPARUXYSSFSA-DZGCQCFKSA-N 2 1 265.401 2.065 20 0 CEADMP CC[N@@H+]1CCCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000104954201 186033797 /nfs/dbraw/zinc/03/37/97/186033797.db2.gz FAIMEYKLKDJECM-UHFFFAOYSA-N 2 1 277.412 2.235 20 0 CEADMP CC[N@H+]1CCCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000104954201 186033798 /nfs/dbraw/zinc/03/37/98/186033798.db2.gz FAIMEYKLKDJECM-UHFFFAOYSA-N 2 1 277.412 2.235 20 0 CEADMP CCCC[C@H](CC)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666111 180221913 /nfs/dbraw/zinc/22/19/13/180221913.db2.gz IFQNEAIKDFVSNM-ZNMIVQPWSA-N 2 1 254.418 2.408 20 0 CEADMP CCCC[C@H](CC)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666111 180221915 /nfs/dbraw/zinc/22/19/15/180221915.db2.gz IFQNEAIKDFVSNM-ZNMIVQPWSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1ccccc1NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091847658 180271417 /nfs/dbraw/zinc/27/14/17/180271417.db2.gz ATNVUBRMIDDURU-UHFFFAOYSA-N 2 1 275.396 2.135 20 0 CEADMP CC[C@H]1C[N@@H+](CCc2ccc(OC)cc2)CC[C@@H]1[NH3+] ZINC000147460646 539796505 /nfs/dbraw/zinc/79/65/05/539796505.db2.gz DZKURYXZMNYYOW-HOCLYGCPSA-N 2 1 262.397 2.297 20 0 CEADMP C1=C(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)COCC1 ZINC000092066908 180316352 /nfs/dbraw/zinc/31/63/52/180316352.db2.gz JKRPNCZAUYYSNB-WBVHZDCISA-N 2 1 276.424 2.282 20 0 CEADMP C1=C(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)COCC1 ZINC000092066908 180316353 /nfs/dbraw/zinc/31/63/53/180316353.db2.gz JKRPNCZAUYYSNB-WBVHZDCISA-N 2 1 276.424 2.282 20 0 CEADMP C1=C(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)COCC1 ZINC000092066908 180316355 /nfs/dbraw/zinc/31/63/55/180316355.db2.gz JKRPNCZAUYYSNB-WBVHZDCISA-N 2 1 276.424 2.282 20 0 CEADMP C1=C(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)COCC1 ZINC000092066908 180316357 /nfs/dbraw/zinc/31/63/57/180316357.db2.gz JKRPNCZAUYYSNB-WBVHZDCISA-N 2 1 276.424 2.282 20 0 CEADMP CCO[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000625186743 350424853 /nfs/dbraw/zinc/42/48/53/350424853.db2.gz XYYJBQMGJGQHRI-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP CCO[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000625186743 350424854 /nfs/dbraw/zinc/42/48/54/350424854.db2.gz XYYJBQMGJGQHRI-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP CCO[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000625186743 350424857 /nfs/dbraw/zinc/42/48/57/350424857.db2.gz XYYJBQMGJGQHRI-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP CCO[C@H](C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1)C1CC1 ZINC000625211422 350430901 /nfs/dbraw/zinc/43/09/01/350430901.db2.gz COXCBDDFDMUWHW-VHDGCEQUSA-N 2 1 254.418 2.216 20 0 CEADMP CCO[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000625211422 350430904 /nfs/dbraw/zinc/43/09/04/350430904.db2.gz COXCBDDFDMUWHW-VHDGCEQUSA-N 2 1 254.418 2.216 20 0 CEADMP CCO[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000625211422 350430907 /nfs/dbraw/zinc/43/09/07/350430907.db2.gz COXCBDDFDMUWHW-VHDGCEQUSA-N 2 1 254.418 2.216 20 0 CEADMP CCO[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000625211422 350430910 /nfs/dbraw/zinc/43/09/10/350430910.db2.gz COXCBDDFDMUWHW-VHDGCEQUSA-N 2 1 254.418 2.216 20 0 CEADMP CCO[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000625211422 350430913 /nfs/dbraw/zinc/43/09/13/350430913.db2.gz COXCBDDFDMUWHW-VHDGCEQUSA-N 2 1 254.418 2.216 20 0 CEADMP c1cc2c(cc1C[NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)OCCO2 ZINC000106868685 186145145 /nfs/dbraw/zinc/14/51/45/186145145.db2.gz JQWJACTXHFADFL-LSDHHAIUSA-N 2 1 288.391 2.174 20 0 CEADMP c1cc2c(cc1C[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)OCCO2 ZINC000106868685 186145146 /nfs/dbraw/zinc/14/51/46/186145146.db2.gz JQWJACTXHFADFL-LSDHHAIUSA-N 2 1 288.391 2.174 20 0 CEADMP CC(C)(C)n1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000107775462 186190020 /nfs/dbraw/zinc/19/00/20/186190020.db2.gz BAQBGGPMKFPYOR-LSDHHAIUSA-N 2 1 276.428 2.355 20 0 CEADMP CC(C)(C)n1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000107775462 186190021 /nfs/dbraw/zinc/19/00/21/186190021.db2.gz BAQBGGPMKFPYOR-LSDHHAIUSA-N 2 1 276.428 2.355 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094367426 282711690 /nfs/dbraw/zinc/71/16/90/282711690.db2.gz AUCKNGUNIWFVNQ-CQSZACIVSA-N 2 1 284.469 2.115 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)C1CCCCC1 ZINC000625988108 350621837 /nfs/dbraw/zinc/62/18/37/350621837.db2.gz VORXRPQYCAUPOI-ZBFHGGJFSA-N 2 1 270.461 2.447 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)C1CCCCC1 ZINC000625988108 350621840 /nfs/dbraw/zinc/62/18/40/350621840.db2.gz VORXRPQYCAUPOI-ZBFHGGJFSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](C)C1CCCCC1 ZINC000625988108 350621841 /nfs/dbraw/zinc/62/18/41/350621841.db2.gz VORXRPQYCAUPOI-ZBFHGGJFSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC000625988108 350621844 /nfs/dbraw/zinc/62/18/44/350621844.db2.gz VORXRPQYCAUPOI-ZBFHGGJFSA-N 2 1 270.461 2.447 20 0 CEADMP CCc1nc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cs1 ZINC000110649201 186309470 /nfs/dbraw/zinc/30/94/70/186309470.db2.gz QLFYECSUCGZCEV-JTQLQIEISA-N 2 1 253.415 2.265 20 0 CEADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C(N)=O)cc2)CC1 ZINC000109788381 186272464 /nfs/dbraw/zinc/27/24/64/186272464.db2.gz NMMGLAIBSDWTOF-UHFFFAOYSA-N 2 1 289.423 2.092 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(N)=O)cc2)CC1 ZINC000109788381 186272466 /nfs/dbraw/zinc/27/24/66/186272466.db2.gz NMMGLAIBSDWTOF-UHFFFAOYSA-N 2 1 289.423 2.092 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@]2(C)CCCS2)CCCO1 ZINC000628253176 351028730 /nfs/dbraw/zinc/02/87/30/351028730.db2.gz WZLVUMVFORXAAO-LSDHHAIUSA-N 2 1 286.485 2.363 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)CCCS1 ZINC000628328428 351065847 /nfs/dbraw/zinc/06/58/47/351065847.db2.gz MWQAMBRFTBYFLY-CVEARBPZSA-N 2 1 298.496 2.459 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@]3(C)CCCS3)C2)C1 ZINC000628292783 351045783 /nfs/dbraw/zinc/04/57/83/351045783.db2.gz UBPCXYCWQQFYBB-KGLIPLIRSA-N 2 1 254.443 2.300 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@]3(C)CCCS3)C2)C1 ZINC000628292783 351045786 /nfs/dbraw/zinc/04/57/86/351045786.db2.gz UBPCXYCWQQFYBB-KGLIPLIRSA-N 2 1 254.443 2.300 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@]3(C)CCCS3)C2)C1 ZINC000628292783 351045787 /nfs/dbraw/zinc/04/57/87/351045787.db2.gz UBPCXYCWQQFYBB-KGLIPLIRSA-N 2 1 254.443 2.300 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@]2(C)CCCS2)CCO1 ZINC000628352688 351076645 /nfs/dbraw/zinc/07/66/45/351076645.db2.gz QKXAGMAQFDELPP-HUUCEWRRSA-N 2 1 286.485 2.315 20 0 CEADMP Cc1cccc2c1C[C@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)CO2 ZINC000629512696 351383094 /nfs/dbraw/zinc/38/30/94/351383094.db2.gz BQSMCUKDXKGFSB-STQMWFEESA-N 2 1 283.375 2.457 20 0 CEADMP COc1cc(C)ccc1[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629520242 351385887 /nfs/dbraw/zinc/38/58/87/351385887.db2.gz DOKSDPHUICFUTO-ZDUSSCGKSA-N 2 1 278.396 2.162 20 0 CEADMP CC1(C)Cc2occc2[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629519535 351386403 /nfs/dbraw/zinc/38/64/03/351386403.db2.gz AUQYQNUGHDVGKG-CYBMUJFWSA-N 2 1 278.396 2.391 20 0 CEADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC000629525570 351390717 /nfs/dbraw/zinc/39/07/17/351390717.db2.gz WPPBYBNRIYTIHN-OAHLLOKOSA-N 2 1 290.407 2.306 20 0 CEADMP COc1ccncc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000629533957 351397311 /nfs/dbraw/zinc/39/73/11/351397311.db2.gz FOZVUHKDGHUMTM-DZGCQCFKSA-N 2 1 275.396 2.054 20 0 CEADMP COc1ccncc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000629533957 351397315 /nfs/dbraw/zinc/39/73/15/351397315.db2.gz FOZVUHKDGHUMTM-DZGCQCFKSA-N 2 1 275.396 2.054 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cc(CO)ccc2F)[C@H]1CC[NH3+] ZINC000629535671 351398188 /nfs/dbraw/zinc/39/81/88/351398188.db2.gz FLFHIQMENYQFTK-WBMJQRKESA-N 2 1 280.387 2.267 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cccc(C(F)(F)F)c2)CCOCC1 ZINC000629387662 351345796 /nfs/dbraw/zinc/34/57/96/351345796.db2.gz KVJASQCFWLJHMB-UHFFFAOYSA-N 2 1 288.313 2.303 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000629387843 351346132 /nfs/dbraw/zinc/34/61/32/351346132.db2.gz GGOFZFTWNDGWHR-OWLYRPNTSA-N 2 1 287.451 2.237 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cccc(Br)c2)CCOCC1 ZINC000629388307 351346354 /nfs/dbraw/zinc/34/63/54/351346354.db2.gz RRUMMBZVSUJCJN-UHFFFAOYSA-N 2 1 299.212 2.047 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000629387875 351346482 /nfs/dbraw/zinc/34/64/82/351346482.db2.gz HFWZGUWQIVNERD-AEGPPILISA-N 2 1 260.381 2.283 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C[NH2+]1 ZINC000629543240 351403735 /nfs/dbraw/zinc/40/37/35/351403735.db2.gz WLQUGDSSLQMAJH-RBGFHDKUSA-N 2 1 266.429 2.312 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)C[NH2+]1 ZINC000629413675 351356002 /nfs/dbraw/zinc/35/60/02/351356002.db2.gz OIGCQSRFDFQOEF-DZGCQCFKSA-N 2 1 266.429 2.456 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C12CCCC2 ZINC000629542556 351403893 /nfs/dbraw/zinc/40/38/93/351403893.db2.gz FVQUQSUKIMWVEW-APIJFGDWSA-N 2 1 266.429 2.454 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@@H]1CCCC1(C)C)C1CC1 ZINC000629600621 351428321 /nfs/dbraw/zinc/42/83/21/351428321.db2.gz QADHYYJPOKVVKT-DZGCQCFKSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@@H]1CCCC1(C)C)C1CC1 ZINC000629600621 351428324 /nfs/dbraw/zinc/42/83/24/351428324.db2.gz QADHYYJPOKVVKT-DZGCQCFKSA-N 2 1 268.445 2.248 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(OCC3CC3)cc2)CCOCC1 ZINC000629652722 351450674 /nfs/dbraw/zinc/45/06/74/351450674.db2.gz AUEMSIPQZCODTM-UHFFFAOYSA-N 2 1 290.407 2.073 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)C/C=C\c1ccc(F)cc1F ZINC000629654870 351452427 /nfs/dbraw/zinc/45/24/27/351452427.db2.gz SXPIKNYZANEKCE-ARJAWSKDSA-N 2 1 284.350 2.146 20 0 CEADMP Cn1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000629655935 351453290 /nfs/dbraw/zinc/45/32/90/351453290.db2.gz YICYVNZKZOCHIC-JKSUJKDBSA-N 2 1 261.413 2.237 20 0 CEADMP Nc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629563804 351415680 /nfs/dbraw/zinc/41/56/80/351415680.db2.gz RCKLHSZJAOLFGW-YPMHNXCESA-N 2 1 287.329 2.228 20 0 CEADMP Nc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629563804 351415681 /nfs/dbraw/zinc/41/56/81/351415681.db2.gz RCKLHSZJAOLFGW-YPMHNXCESA-N 2 1 287.329 2.228 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000629570883 351418716 /nfs/dbraw/zinc/41/87/16/351418716.db2.gz GYSUTWMEFFTHAY-LLVKDONJSA-N 2 1 272.339 2.194 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1cc(Cl)cc2cccnc21 ZINC000629576726 351420663 /nfs/dbraw/zinc/42/06/63/351420663.db2.gz CELFTPKOQLJEPD-UHFFFAOYSA-N 2 1 293.798 2.295 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000629580959 351421693 /nfs/dbraw/zinc/42/16/93/351421693.db2.gz HLBYFKNHOUJJNQ-UHFFFAOYSA-N 2 1 288.313 2.039 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc(OC)c1 ZINC000070169344 363042215 /nfs/dbraw/zinc/04/22/15/363042215.db2.gz HVLKBIJKHZVRSZ-CYBMUJFWSA-N 2 1 278.396 2.265 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000070171749 363044574 /nfs/dbraw/zinc/04/45/74/363044574.db2.gz XISTVLFYBFHPLO-SWLSCSKDSA-N 2 1 260.381 2.181 20 0 CEADMP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070171015 363044776 /nfs/dbraw/zinc/04/47/76/363044776.db2.gz NDIOBCHMBZEPGH-HNNXBMFYSA-N 2 1 290.407 2.329 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070171028 363044951 /nfs/dbraw/zinc/04/49/51/363044951.db2.gz HXQJFQHDYDIKOY-GFCCVEGCSA-N 2 1 253.415 2.055 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000070171750 363045090 /nfs/dbraw/zinc/04/50/90/363045090.db2.gz XISTVLFYBFHPLO-IUODEOHRSA-N 2 1 260.381 2.181 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CCO1 ZINC000569103484 299179549 /nfs/dbraw/zinc/17/95/49/299179549.db2.gz IVANBWFGPVGJLW-ARFHVFGLSA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccns2)C1 ZINC000630075837 351605289 /nfs/dbraw/zinc/60/52/89/351605289.db2.gz HDDVTVAZIQMINR-BNOWGMLFSA-N 2 1 281.425 2.004 20 0 CEADMP CC[N@H+]1CC[C@H](NC2CC[NH+](CC(C)C)CC2)[C@H](C)C1 ZINC000131182026 366027529 /nfs/dbraw/zinc/02/75/29/366027529.db2.gz LJTDWWFIWCKKSU-WBVHZDCISA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(C)n[nH]c2C)C1 ZINC000131390752 366048571 /nfs/dbraw/zinc/04/85/71/366048571.db2.gz RPWWXNFSHGJQLX-CQSZACIVSA-N 2 1 264.417 2.190 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(C)n[nH]c2C)C1 ZINC000131390752 366048576 /nfs/dbraw/zinc/04/85/76/366048576.db2.gz RPWWXNFSHGJQLX-CQSZACIVSA-N 2 1 264.417 2.190 20 0 CEADMP C[C@H]1C[C@H](NCc2ccc(OCC3CC3)nc2)CC[N@H+]1C ZINC000131272234 366037098 /nfs/dbraw/zinc/03/70/98/366037098.db2.gz BJLJRRHONAVPGU-XJKSGUPXSA-N 2 1 289.423 2.443 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CCN1C ZINC000131272234 366037105 /nfs/dbraw/zinc/03/71/05/366037105.db2.gz BJLJRRHONAVPGU-XJKSGUPXSA-N 2 1 289.423 2.443 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCc2c1cnn2C ZINC000121525964 186978917 /nfs/dbraw/zinc/97/89/17/186978917.db2.gz GNQPDMSHAUHMDT-DOMZBBRYSA-N 2 1 287.411 2.228 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCSc1ccccc1 ZINC000131706640 366079660 /nfs/dbraw/zinc/07/96/60/366079660.db2.gz MQDCBCINOSIAEN-OLZOCXBDSA-N 2 1 250.411 2.448 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000122113881 187016181 /nfs/dbraw/zinc/01/61/81/187016181.db2.gz ADILIEAFXIYATH-KRWDZBQOSA-N 2 1 298.471 2.236 20 0 CEADMP CC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000291777078 198088620 /nfs/dbraw/zinc/08/86/20/198088620.db2.gz UMBLPJZWWQTQGH-XIRDDKMYSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000291777078 198088622 /nfs/dbraw/zinc/08/86/22/198088622.db2.gz UMBLPJZWWQTQGH-XIRDDKMYSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)nc2)CC[N@H+]1C ZINC000122684159 187046158 /nfs/dbraw/zinc/04/61/58/187046158.db2.gz KPDPXPYZMHPOEC-YPMHNXCESA-N 2 1 267.804 2.350 20 0 CEADMP CC[C@@H](COC)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000122808633 187053345 /nfs/dbraw/zinc/05/33/45/187053345.db2.gz OMVBWGDNMKYIRG-KRWDZBQOSA-N 2 1 276.424 2.449 20 0 CEADMP CC[C@@H](COC)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000122808633 187053346 /nfs/dbraw/zinc/05/33/46/187053346.db2.gz OMVBWGDNMKYIRG-KRWDZBQOSA-N 2 1 276.424 2.449 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(CCOC)s2)C1 ZINC000631056981 351942015 /nfs/dbraw/zinc/94/20/15/351942015.db2.gz PVKJMIJAGIPZLW-CYBMUJFWSA-N 2 1 297.468 2.154 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(CCOC)s2)C1 ZINC000631056981 351942017 /nfs/dbraw/zinc/94/20/17/351942017.db2.gz PVKJMIJAGIPZLW-CYBMUJFWSA-N 2 1 297.468 2.154 20 0 CEADMP COCCc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000631150721 351988233 /nfs/dbraw/zinc/98/82/33/351988233.db2.gz BKBUJNVMYSTYMI-YHWZYXNKSA-N 2 1 295.452 2.047 20 0 CEADMP COCCc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000631150721 351988236 /nfs/dbraw/zinc/98/82/36/351988236.db2.gz BKBUJNVMYSTYMI-YHWZYXNKSA-N 2 1 295.452 2.047 20 0 CEADMP COCCc1ncc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)s1 ZINC000631180321 352003526 /nfs/dbraw/zinc/00/35/26/352003526.db2.gz DNCIURDSAYQWIO-CYBMUJFWSA-N 2 1 297.468 2.154 20 0 CEADMP COCCc1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000631180321 352003528 /nfs/dbraw/zinc/00/35/28/352003528.db2.gz DNCIURDSAYQWIO-CYBMUJFWSA-N 2 1 297.468 2.154 20 0 CEADMP C[NH+](C)[C@@H]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000271468334 191155502 /nfs/dbraw/zinc/15/55/02/191155502.db2.gz YILIVFQPJNIJOT-QZTJIDSGSA-N 2 1 287.451 2.287 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC000072860488 363172751 /nfs/dbraw/zinc/17/27/51/363172751.db2.gz WZKSZLCWLUZXCV-CQSZACIVSA-N 2 1 280.387 2.478 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC000072860488 363172752 /nfs/dbraw/zinc/17/27/52/363172752.db2.gz WZKSZLCWLUZXCV-CQSZACIVSA-N 2 1 280.387 2.478 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000072860488 363172755 /nfs/dbraw/zinc/17/27/55/363172755.db2.gz WZKSZLCWLUZXCV-CQSZACIVSA-N 2 1 280.387 2.478 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000072860488 363172757 /nfs/dbraw/zinc/17/27/57/363172757.db2.gz WZKSZLCWLUZXCV-CQSZACIVSA-N 2 1 280.387 2.478 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000343623494 539855292 /nfs/dbraw/zinc/85/52/92/539855292.db2.gz JAEFFDBZXHVENQ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000343623494 539855295 /nfs/dbraw/zinc/85/52/95/539855295.db2.gz JAEFFDBZXHVENQ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000343623494 539855298 /nfs/dbraw/zinc/85/52/98/539855298.db2.gz JAEFFDBZXHVENQ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CN(C)c1cc(NC(=O)c2ccc3c[nH+]cn3c2)cc[nH+]1 ZINC000339918020 215396965 /nfs/dbraw/zinc/39/69/65/215396965.db2.gz WERXNFVKDSTLCT-UHFFFAOYSA-N 2 1 281.319 2.048 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc2ccccc2s1 ZINC000135424377 187828183 /nfs/dbraw/zinc/82/81/83/187828183.db2.gz AJCKMFKLWVRUCU-GHMZBOCLSA-N 2 1 261.394 2.465 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc2ccccc2s1 ZINC000135424377 187828184 /nfs/dbraw/zinc/82/81/84/187828184.db2.gz AJCKMFKLWVRUCU-GHMZBOCLSA-N 2 1 261.394 2.465 20 0 CEADMP CC1(C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000569297115 299192957 /nfs/dbraw/zinc/19/29/57/299192957.db2.gz JHRAKHASCLMQHZ-UHFFFAOYSA-N 2 1 266.429 2.411 20 0 CEADMP CC(=O)Nc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292164559 198187676 /nfs/dbraw/zinc/18/76/76/198187676.db2.gz OXHIPKJAUBAVDQ-KRWDZBQOSA-N 2 1 287.407 2.173 20 0 CEADMP CC(=O)Nc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292164559 198187677 /nfs/dbraw/zinc/18/76/77/198187677.db2.gz OXHIPKJAUBAVDQ-KRWDZBQOSA-N 2 1 287.407 2.173 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292164559 198187678 /nfs/dbraw/zinc/18/76/78/198187678.db2.gz OXHIPKJAUBAVDQ-KRWDZBQOSA-N 2 1 287.407 2.173 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292164559 198187679 /nfs/dbraw/zinc/18/76/79/198187679.db2.gz OXHIPKJAUBAVDQ-KRWDZBQOSA-N 2 1 287.407 2.173 20 0 CEADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000669694230 539944465 /nfs/dbraw/zinc/94/44/65/539944465.db2.gz IMVNQVOBZBEJRW-PVAVHDDUSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000669694230 539944470 /nfs/dbraw/zinc/94/44/70/539944470.db2.gz IMVNQVOBZBEJRW-PVAVHDDUSA-N 2 1 276.424 2.258 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)CCc3ccccc3)C2)C1 ZINC000292205012 198202496 /nfs/dbraw/zinc/20/24/96/198202496.db2.gz SRADVGQBRCZXLS-QZTJIDSGSA-N 2 1 288.435 2.008 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)CCc3ccccc3)C2)C1 ZINC000292205012 198202497 /nfs/dbraw/zinc/20/24/97/198202497.db2.gz SRADVGQBRCZXLS-QZTJIDSGSA-N 2 1 288.435 2.008 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)CCc3ccccc3)C2)C1 ZINC000292205012 198202499 /nfs/dbraw/zinc/20/24/99/198202499.db2.gz SRADVGQBRCZXLS-QZTJIDSGSA-N 2 1 288.435 2.008 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)CCc3ccccc3)C2)C1 ZINC000292205005 198202681 /nfs/dbraw/zinc/20/26/81/198202681.db2.gz SRADVGQBRCZXLS-MSOLQXFVSA-N 2 1 288.435 2.008 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)CCc3ccccc3)C2)C1 ZINC000292205005 198202682 /nfs/dbraw/zinc/20/26/82/198202682.db2.gz SRADVGQBRCZXLS-MSOLQXFVSA-N 2 1 288.435 2.008 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)CCc3ccccc3)C2)C1 ZINC000292205005 198202684 /nfs/dbraw/zinc/20/26/84/198202684.db2.gz SRADVGQBRCZXLS-MSOLQXFVSA-N 2 1 288.435 2.008 20 0 CEADMP COc1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292247460 198216599 /nfs/dbraw/zinc/21/65/99/198216599.db2.gz XJRBOZORTCGLJO-MRXNPFEDSA-N 2 1 260.381 2.223 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292247460 198216600 /nfs/dbraw/zinc/21/66/00/198216600.db2.gz XJRBOZORTCGLJO-MRXNPFEDSA-N 2 1 260.381 2.223 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292247460 198216601 /nfs/dbraw/zinc/21/66/01/198216601.db2.gz XJRBOZORTCGLJO-MRXNPFEDSA-N 2 1 260.381 2.223 20 0 CEADMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152433364 188018808 /nfs/dbraw/zinc/01/88/08/188018808.db2.gz WOPBYIGNRAALAA-IAGOWNOFSA-N 2 1 288.435 2.318 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2OC)CC[C@H]1[NH3+] ZINC000251534913 539976576 /nfs/dbraw/zinc/97/65/76/539976576.db2.gz AMVFWVHQFPBHQY-IUODEOHRSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cc(OC)ccc2OC)CC[C@H]1[NH3+] ZINC000251534913 539976579 /nfs/dbraw/zinc/97/65/79/539976579.db2.gz AMVFWVHQFPBHQY-IUODEOHRSA-N 2 1 278.396 2.263 20 0 CEADMP Cc1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000156092749 188242587 /nfs/dbraw/zinc/24/25/87/188242587.db2.gz MOZOXTODTUFDPD-UKRRQHHQSA-N 2 1 275.396 2.012 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000156092749 188242588 /nfs/dbraw/zinc/24/25/88/188242588.db2.gz MOZOXTODTUFDPD-UKRRQHHQSA-N 2 1 275.396 2.012 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000156092749 188242590 /nfs/dbraw/zinc/24/25/90/188242590.db2.gz MOZOXTODTUFDPD-UKRRQHHQSA-N 2 1 275.396 2.012 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCN3CCc4ccccc43)CC[C@@H]21 ZINC000292560052 198333039 /nfs/dbraw/zinc/33/30/39/198333039.db2.gz ROKUEDNHXKXGBM-MSOLQXFVSA-N 2 1 299.462 2.465 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCN3CCc4ccccc43)CC[C@@H]21 ZINC000292560052 198333041 /nfs/dbraw/zinc/33/30/41/198333041.db2.gz ROKUEDNHXKXGBM-MSOLQXFVSA-N 2 1 299.462 2.465 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCN3CCc4ccccc43)CC[C@@H]21 ZINC000292560052 198333043 /nfs/dbraw/zinc/33/30/43/198333043.db2.gz ROKUEDNHXKXGBM-MSOLQXFVSA-N 2 1 299.462 2.465 20 0 CEADMP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000157747231 188336522 /nfs/dbraw/zinc/33/65/22/188336522.db2.gz VRDKWYGCMWQXCV-MRXNPFEDSA-N 2 1 291.439 2.136 20 0 CEADMP CCC[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)OC ZINC000295193823 199399902 /nfs/dbraw/zinc/39/99/02/199399902.db2.gz XOUMOYVYGDYUMX-CYBMUJFWSA-N 2 1 251.374 2.052 20 0 CEADMP CC(C)CC[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337278647 366121968 /nfs/dbraw/zinc/12/19/68/366121968.db2.gz SXWPFFUYKFWLPB-OAHLLOKOSA-N 2 1 256.434 2.201 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)C[NH+]1CCCC1 ZINC000271728088 191293893 /nfs/dbraw/zinc/29/38/93/191293893.db2.gz RSAHUBSMCABWPT-NVXWUHKLSA-N 2 1 292.398 2.249 20 0 CEADMP FC(F)O[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337563377 366164287 /nfs/dbraw/zinc/16/42/87/366164287.db2.gz WTWWIOPTKREZJF-QNWHQSFQSA-N 2 1 274.355 2.363 20 0 CEADMP Fc1ccc(-n2cc(C[NH2+][C@@H]3CCC[NH2+]CC3)cn2)cc1 ZINC000666855474 540023710 /nfs/dbraw/zinc/02/37/10/540023710.db2.gz UPMRIEGSOARRGD-OAHLLOKOSA-N 2 1 288.370 2.243 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cn(C)nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000158488714 540057579 /nfs/dbraw/zinc/05/75/79/540057579.db2.gz YYUKZZLESUOSDZ-JSGCOSHPSA-N 2 1 278.444 2.277 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cn(C)nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000158488714 540057584 /nfs/dbraw/zinc/05/75/84/540057584.db2.gz YYUKZZLESUOSDZ-JSGCOSHPSA-N 2 1 278.444 2.277 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000519758541 540128515 /nfs/dbraw/zinc/12/85/15/540128515.db2.gz KVENMSDDDNGKID-BHYGNILZSA-N 2 1 276.424 2.382 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000519758541 540128519 /nfs/dbraw/zinc/12/85/19/540128519.db2.gz KVENMSDDDNGKID-BHYGNILZSA-N 2 1 276.424 2.382 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000519758541 540128521 /nfs/dbraw/zinc/12/85/21/540128521.db2.gz KVENMSDDDNGKID-BHYGNILZSA-N 2 1 276.424 2.382 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000519758541 540128524 /nfs/dbraw/zinc/12/85/24/540128524.db2.gz KVENMSDDDNGKID-BHYGNILZSA-N 2 1 276.424 2.382 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000381070379 540138351 /nfs/dbraw/zinc/13/83/51/540138351.db2.gz OWNHOGGYMMFEED-INIZCTEOSA-N 2 1 262.397 2.135 20 0 CEADMP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1F ZINC000380641538 540134959 /nfs/dbraw/zinc/13/49/59/540134959.db2.gz NFNZPIRTFMJLJS-BBRMVZONSA-N 2 1 278.371 2.395 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1F ZINC000380641538 540134962 /nfs/dbraw/zinc/13/49/62/540134962.db2.gz NFNZPIRTFMJLJS-BBRMVZONSA-N 2 1 278.371 2.395 20 0 CEADMP CO[C@@H]1C[C@@H]([N@H+](C)CCCn2cc[nH+]c2C)C12CCC2 ZINC000451854707 283126248 /nfs/dbraw/zinc/12/62/48/283126248.db2.gz QZCGZJROUJRHDP-HUUCEWRRSA-N 2 1 277.412 2.471 20 0 CEADMP CO[C@@H]1C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2C)C12CCC2 ZINC000451854707 283126250 /nfs/dbraw/zinc/12/62/50/283126250.db2.gz QZCGZJROUJRHDP-HUUCEWRRSA-N 2 1 277.412 2.471 20 0 CEADMP CO[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CCC[NH+]2C)C12CCC2 ZINC000451862961 283128554 /nfs/dbraw/zinc/12/85/54/283128554.db2.gz YMFJEJPYVTYVPC-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP CO[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCC[N@@H+]2C)C12CCC2 ZINC000451862961 283128557 /nfs/dbraw/zinc/12/85/57/283128557.db2.gz YMFJEJPYVTYVPC-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP CO[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCC[N@H+]2C)C12CCC2 ZINC000451862961 283128563 /nfs/dbraw/zinc/12/85/63/283128563.db2.gz YMFJEJPYVTYVPC-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cn1 ZINC000451893643 283136127 /nfs/dbraw/zinc/13/61/27/283136127.db2.gz XZORGSFMGWEPEB-JSGCOSHPSA-N 2 1 250.390 2.038 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cn1 ZINC000451893643 283136134 /nfs/dbraw/zinc/13/61/34/283136134.db2.gz XZORGSFMGWEPEB-JSGCOSHPSA-N 2 1 250.390 2.038 20 0 CEADMP C[C@H]1C[C@@H](NCCC[NH+]2CCCCC2)C[N@H+]1C1CC1 ZINC000128624738 291083409 /nfs/dbraw/zinc/08/34/09/291083409.db2.gz RLOWRELSFAMKHO-LSDHHAIUSA-N 2 1 265.445 2.077 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451911485 283140840 /nfs/dbraw/zinc/14/08/40/283140840.db2.gz PNEBMYDESUTYMP-INIZCTEOSA-N 2 1 266.429 2.365 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)CCCO ZINC000273560105 192202719 /nfs/dbraw/zinc/20/27/19/192202719.db2.gz DRDVQZQFJQJLHN-UHFFFAOYSA-N 2 1 265.401 2.036 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000338280462 366268748 /nfs/dbraw/zinc/26/87/48/366268748.db2.gz KJJBZSSJGKHBQT-UHFFFAOYSA-N 2 1 299.503 2.009 20 0 CEADMP CC[NH+](CC)CCCN(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000338280462 366268752 /nfs/dbraw/zinc/26/87/52/366268752.db2.gz KJJBZSSJGKHBQT-UHFFFAOYSA-N 2 1 299.503 2.009 20 0 CEADMP CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338278835 366269313 /nfs/dbraw/zinc/26/93/13/366269313.db2.gz OSLAXOOTYLIRJR-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338278835 366269316 /nfs/dbraw/zinc/26/93/16/366269316.db2.gz OSLAXOOTYLIRJR-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](CC)CCC[NH2+]C(C)(C)C(=O)NCC1CCCC1 ZINC000338282695 366271709 /nfs/dbraw/zinc/27/17/09/366271709.db2.gz IERUFDABSNIUJE-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP CCCC[C@H](CC)CC[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414979921 540248398 /nfs/dbraw/zinc/24/83/98/540248398.db2.gz VFGFULOTCAJREX-LSDHHAIUSA-N 2 1 255.450 2.086 20 0 CEADMP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000338298149 366281023 /nfs/dbraw/zinc/28/10/23/366281023.db2.gz TWQYNRORMLBIBQ-MCIONIFRSA-N 2 1 270.417 2.038 20 0 CEADMP CC[NH+](CC)CCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000338317039 366292393 /nfs/dbraw/zinc/29/23/93/366292393.db2.gz NPMDWHRWFCZUFZ-QGZVFWFLSA-N 2 1 281.488 2.382 20 0 CEADMP C[C@@H]1C[C@@H](NCC2([NH+](C)C)CCCCC2)CC[N@H+]1C ZINC000129685484 297282955 /nfs/dbraw/zinc/28/29/55/297282955.db2.gz ORTGYUXYFSLOLB-CABCVRRESA-N 2 1 267.461 2.323 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000353493621 283188122 /nfs/dbraw/zinc/18/81/22/283188122.db2.gz XFJXSLAOACQBFC-YCPHGPKFSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000353493621 283188124 /nfs/dbraw/zinc/18/81/24/283188124.db2.gz XFJXSLAOACQBFC-YCPHGPKFSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000353493621 283188125 /nfs/dbraw/zinc/18/81/25/283188125.db2.gz XFJXSLAOACQBFC-YCPHGPKFSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H](CC(=O)NC)c1ccccc1 ZINC000338362335 366318012 /nfs/dbraw/zinc/31/80/12/366318012.db2.gz DUUOCMHPJGNSSG-INIZCTEOSA-N 2 1 291.439 2.185 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC000338429012 366354400 /nfs/dbraw/zinc/35/44/00/366354400.db2.gz ROEUJEBFZCFTFY-OAHLLOKOSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000338429012 366354405 /nfs/dbraw/zinc/35/44/05/366354405.db2.gz ROEUJEBFZCFTFY-OAHLLOKOSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)CCC[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000338437692 366358806 /nfs/dbraw/zinc/35/88/06/366358806.db2.gz PIGVLJGOTWTMMD-HNNXBMFYSA-N 2 1 256.434 2.249 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CSC1(C)C ZINC000338477207 366374993 /nfs/dbraw/zinc/37/49/93/366374993.db2.gz JWLORHFKWNQEGQ-GFCCVEGCSA-N 2 1 251.399 2.131 20 0 CEADMP C[C@@H]1OCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000093417773 538771856 /nfs/dbraw/zinc/77/18/56/538771856.db2.gz GEFMBONFZDRTEC-GJZGRUSLSA-N 2 1 292.423 2.236 20 0 CEADMP C[C@@H]1OCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000093417773 538771863 /nfs/dbraw/zinc/77/18/63/538771863.db2.gz GEFMBONFZDRTEC-GJZGRUSLSA-N 2 1 292.423 2.236 20 0 CEADMP C[C@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C(C)(C)C ZINC000670264065 540259276 /nfs/dbraw/zinc/25/92/76/540259276.db2.gz RAOXFYVJIWIZGA-CVEARBPZSA-N 2 1 281.488 2.380 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348080975 538803377 /nfs/dbraw/zinc/80/33/77/538803377.db2.gz HMKCAGFYGSZEJU-IRXDYDNUSA-N 2 1 279.472 2.182 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc(C)cc1 ZINC000577699837 366382853 /nfs/dbraw/zinc/38/28/53/366382853.db2.gz PWYNKNUOCAZERQ-ZBFHGGJFSA-N 2 1 264.413 2.300 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc(C)cc1 ZINC000577699837 366382857 /nfs/dbraw/zinc/38/28/57/366382857.db2.gz PWYNKNUOCAZERQ-ZBFHGGJFSA-N 2 1 264.413 2.300 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000577699837 366382861 /nfs/dbraw/zinc/38/28/61/366382861.db2.gz PWYNKNUOCAZERQ-ZBFHGGJFSA-N 2 1 264.413 2.300 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000577699837 366382866 /nfs/dbraw/zinc/38/28/66/366382866.db2.gz PWYNKNUOCAZERQ-ZBFHGGJFSA-N 2 1 264.413 2.300 20 0 CEADMP COCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441391474 538833448 /nfs/dbraw/zinc/83/34/48/538833448.db2.gz GUFGLYHXVKUHAD-DZKIICNBSA-N 2 1 266.429 2.360 20 0 CEADMP COCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441391474 538833454 /nfs/dbraw/zinc/83/34/54/538833454.db2.gz GUFGLYHXVKUHAD-DZKIICNBSA-N 2 1 266.429 2.360 20 0 CEADMP COCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441391474 538833460 /nfs/dbraw/zinc/83/34/60/538833460.db2.gz GUFGLYHXVKUHAD-DZKIICNBSA-N 2 1 266.429 2.360 20 0 CEADMP COCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441391474 538833466 /nfs/dbraw/zinc/83/34/66/538833466.db2.gz GUFGLYHXVKUHAD-DZKIICNBSA-N 2 1 266.429 2.360 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1F ZINC000166061466 540330161 /nfs/dbraw/zinc/33/01/61/540330161.db2.gz ZBKUBEWSMXNZFR-WDEREUQCSA-N 2 1 252.333 2.003 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1F ZINC000166061466 540330165 /nfs/dbraw/zinc/33/01/65/540330165.db2.gz ZBKUBEWSMXNZFR-WDEREUQCSA-N 2 1 252.333 2.003 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000389303632 540350502 /nfs/dbraw/zinc/35/05/02/540350502.db2.gz CZGYYYRIUSIFTO-APHBMKBZSA-N 2 1 259.397 2.205 20 0 CEADMP CCO[C@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000570768771 299276809 /nfs/dbraw/zinc/27/68/09/299276809.db2.gz PEDHFCXNXWFUJD-SJORKVTESA-N 2 1 274.408 2.418 20 0 CEADMP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000577898342 366413904 /nfs/dbraw/zinc/41/39/04/366413904.db2.gz LPSJLYHLNQNHHE-ARFHVFGLSA-N 2 1 259.397 2.352 20 0 CEADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414981985 236584520 /nfs/dbraw/zinc/58/45/20/236584520.db2.gz YLNSRANATUTCLP-DOTOQJQBSA-N 2 1 289.467 2.236 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1 ZINC000578284901 366470549 /nfs/dbraw/zinc/47/05/49/366470549.db2.gz KEPBSBONZJINEO-IAGOWNOFSA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000578284901 366470555 /nfs/dbraw/zinc/47/05/55/366470555.db2.gz KEPBSBONZJINEO-IAGOWNOFSA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000578284901 366470560 /nfs/dbraw/zinc/47/05/60/366470560.db2.gz KEPBSBONZJINEO-IAGOWNOFSA-N 2 1 276.424 2.006 20 0 CEADMP CCc1cccc(C[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000578328442 366479357 /nfs/dbraw/zinc/47/93/57/366479357.db2.gz BEBCHKDNVQZEFU-UHFFFAOYSA-N 2 1 276.424 2.185 20 0 CEADMP CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000571011712 299289670 /nfs/dbraw/zinc/28/96/70/299289670.db2.gz PIBINNBBMHDFLD-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP c1cc(C[N@H+]2CCC3(C2)CCOCC3)c2c(c1)C[NH2+]CC2 ZINC000314003425 540470166 /nfs/dbraw/zinc/47/01/66/540470166.db2.gz UAAIIQNIVSGDOK-UHFFFAOYSA-N 2 1 286.419 2.335 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](CO)CC2CCCCC2)CC1 ZINC000417365717 237100979 /nfs/dbraw/zinc/10/09/79/237100979.db2.gz MHEYAXSLVCKKAD-QGZVFWFLSA-N 2 1 298.471 2.018 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)Cc3ccccc3)CC[C@H]21 ZINC000296851593 200016586 /nfs/dbraw/zinc/01/65/86/200016586.db2.gz UISDVANYIRAZCQ-RCCFBDPRSA-N 2 1 288.435 2.006 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)Cc3ccccc3)CC[C@H]21 ZINC000296851593 200016588 /nfs/dbraw/zinc/01/65/88/200016588.db2.gz UISDVANYIRAZCQ-RCCFBDPRSA-N 2 1 288.435 2.006 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)CC[C@H]21 ZINC000296851593 200016590 /nfs/dbraw/zinc/01/65/90/200016590.db2.gz UISDVANYIRAZCQ-RCCFBDPRSA-N 2 1 288.435 2.006 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccccc1C[NH+](C)C ZINC000571139114 299294396 /nfs/dbraw/zinc/29/43/96/299294396.db2.gz RMRBGSQESVXFQZ-AWEZNQCLSA-N 2 1 291.439 2.208 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000297467384 200201431 /nfs/dbraw/zinc/20/14/31/200201431.db2.gz YJJMDCLCJIJIKH-UTJXIGIESA-N 2 1 294.414 2.047 20 0 CEADMP Cc1nc(C)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000080693463 363679109 /nfs/dbraw/zinc/67/91/09/363679109.db2.gz YEZFTQLCVALVNA-GFCCVEGCSA-N 2 1 265.426 2.334 20 0 CEADMP Cc1nc(C)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000080693463 363679114 /nfs/dbraw/zinc/67/91/14/363679114.db2.gz YEZFTQLCVALVNA-GFCCVEGCSA-N 2 1 265.426 2.334 20 0 CEADMP c1ccc(COCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297722988 200268801 /nfs/dbraw/zinc/26/88/01/200268801.db2.gz RWTGTMACMVEGLA-UHFFFAOYSA-N 2 1 274.408 2.420 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCN(C)Cc2ccccc2)[C@H](C)C1 ZINC000151028021 366614101 /nfs/dbraw/zinc/61/41/01/366614101.db2.gz NUKGRXYWHVRMRV-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[N@@H+]1CC[C@H](NCC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000151028021 366614102 /nfs/dbraw/zinc/61/41/02/366614102.db2.gz NUKGRXYWHVRMRV-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000151028021 366614106 /nfs/dbraw/zinc/61/41/06/366614106.db2.gz NUKGRXYWHVRMRV-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000151028021 366614109 /nfs/dbraw/zinc/61/41/09/366614109.db2.gz NUKGRXYWHVRMRV-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000151028021 366614111 /nfs/dbraw/zinc/61/41/11/366614111.db2.gz NUKGRXYWHVRMRV-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCC2(OC)CCC2)CC1 ZINC000339012264 366615072 /nfs/dbraw/zinc/61/50/72/366615072.db2.gz XDWIGBXTQKYVCM-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCC2(OC)CCC2)CC1 ZINC000339012264 366615076 /nfs/dbraw/zinc/61/50/76/366615076.db2.gz XDWIGBXTQKYVCM-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP COC1(CC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CCC1 ZINC000339045608 366628842 /nfs/dbraw/zinc/62/88/42/366628842.db2.gz XEKDVBMUNBZGLQ-OWCLPIDISA-N 2 1 296.455 2.129 20 0 CEADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066508 366638585 /nfs/dbraw/zinc/63/85/85/366638585.db2.gz FKVBXSGMGKSGCR-KBMXLJTQSA-N 2 1 259.397 2.229 20 0 CEADMP COC1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339067574 366638896 /nfs/dbraw/zinc/63/88/96/366638896.db2.gz MNTNIQGXKBOYDG-FYRZTWFESA-N 2 1 266.429 2.408 20 0 CEADMP COC1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339067577 366638969 /nfs/dbraw/zinc/63/89/69/366638969.db2.gz MNTNIQGXKBOYDG-PWUWZPNHSA-N 2 1 266.429 2.408 20 0 CEADMP COC1(CC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CCC1 ZINC000339126510 366665427 /nfs/dbraw/zinc/66/54/27/366665427.db2.gz YKVFYXHUKPDFKS-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP Cc1[nH]nc2ncc(CN3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)cc12 ZINC000579647342 366676628 /nfs/dbraw/zinc/67/66/28/366676628.db2.gz KVWJJDCESVTYSL-ZBFHGGJFSA-N 2 1 299.422 2.182 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000298191129 200356597 /nfs/dbraw/zinc/35/65/97/200356597.db2.gz ADRHTCRIXHSJAI-DOTOQJQBSA-N 2 1 292.423 2.193 20 0 CEADMP C[C@H](CC[NH2+]Cc1cn[nH]c1)[N@H+](C)Cc1ccccc1 ZINC000673812214 540697432 /nfs/dbraw/zinc/69/74/32/540697432.db2.gz VIXLMPPVUFBAEI-CQSZACIVSA-N 2 1 272.396 2.410 20 0 CEADMP C[C@H](CC[NH2+]Cc1cn[nH]c1)[N@@H+](C)Cc1ccccc1 ZINC000673812214 540697435 /nfs/dbraw/zinc/69/74/35/540697435.db2.gz VIXLMPPVUFBAEI-CQSZACIVSA-N 2 1 272.396 2.410 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000571414153 299309509 /nfs/dbraw/zinc/30/95/09/299309509.db2.gz HCVCRPOEWABYFJ-ARFHVFGLSA-N 2 1 289.423 2.290 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1O ZINC000178409399 189113563 /nfs/dbraw/zinc/11/35/63/189113563.db2.gz OHTXEEQTVAWQLI-MBNYWOFBSA-N 2 1 278.396 2.219 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1O ZINC000178409399 189113564 /nfs/dbraw/zinc/11/35/64/189113564.db2.gz OHTXEEQTVAWQLI-MBNYWOFBSA-N 2 1 278.396 2.219 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOC(C)(C)C)C1 ZINC000674909425 540797036 /nfs/dbraw/zinc/79/70/36/540797036.db2.gz OWKLKLXDURUEAS-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOC(C)(C)C)C1 ZINC000674909425 540797040 /nfs/dbraw/zinc/79/70/40/540797040.db2.gz OWKLKLXDURUEAS-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOC(C)(C)C)C1 ZINC000674909425 540797043 /nfs/dbraw/zinc/79/70/43/540797043.db2.gz OWKLKLXDURUEAS-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000178981199 189159225 /nfs/dbraw/zinc/15/92/25/189159225.db2.gz RMIVNGIVILDNPU-INIZCTEOSA-N 2 1 287.451 2.192 20 0 CEADMP Fc1ccccc1[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000178971863 189158100 /nfs/dbraw/zinc/15/81/00/189158100.db2.gz IXWVKGIQYIOZAZ-INIZCTEOSA-N 2 1 278.371 2.199 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](n2ccnc2)C1 ZINC000675496267 540847955 /nfs/dbraw/zinc/84/79/55/540847955.db2.gz RWBPUEIGGUUBQI-HZPDHXFCSA-N 2 1 276.428 2.394 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000675496267 540847957 /nfs/dbraw/zinc/84/79/57/540847957.db2.gz RWBPUEIGGUUBQI-HZPDHXFCSA-N 2 1 276.428 2.394 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000675496267 540847961 /nfs/dbraw/zinc/84/79/61/540847961.db2.gz RWBPUEIGGUUBQI-HZPDHXFCSA-N 2 1 276.428 2.394 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CCC1 ZINC000342159915 216242348 /nfs/dbraw/zinc/24/23/48/216242348.db2.gz KIYKLXQUXXNKMZ-UHFFFAOYSA-N 2 1 282.771 2.082 20 0 CEADMP CC[N@@H+](CC(=O)Nc1ccc(CC[NH+](C)C)cc1)C1CC1 ZINC000152109472 366689042 /nfs/dbraw/zinc/68/90/42/366689042.db2.gz CHRJSLWFZVWFGS-UHFFFAOYSA-N 2 1 289.423 2.214 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000579831890 366710263 /nfs/dbraw/zinc/71/02/63/366710263.db2.gz BDSQCTSMCMOYJA-GDBMZVCRSA-N 2 1 289.423 2.067 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC(C)(C)CC2)C1 ZINC000579734192 366695815 /nfs/dbraw/zinc/69/58/15/366695815.db2.gz UIUPALCFQIEKPY-HIFRSBDPSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC(C)(C)CC2)C1 ZINC000579734192 366695824 /nfs/dbraw/zinc/69/58/24/366695824.db2.gz UIUPALCFQIEKPY-HIFRSBDPSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCC(C)(C)CC2)C1 ZINC000579734193 366696153 /nfs/dbraw/zinc/69/61/53/366696153.db2.gz UIUPALCFQIEKPY-UKRRQHHQSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCC(C)(C)CC2)C1 ZINC000579734193 366696157 /nfs/dbraw/zinc/69/61/57/366696157.db2.gz UIUPALCFQIEKPY-UKRRQHHQSA-N 2 1 254.418 2.002 20 0 CEADMP CCCC[C@H](COC)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152446101 366697272 /nfs/dbraw/zinc/69/72/72/366697272.db2.gz ZZLSWZAIOFFTJL-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237078529 370687710 /nfs/dbraw/zinc/68/77/10/370687710.db2.gz WAULSOZATDYDNE-HOTGVXAUSA-N 2 1 289.423 2.019 20 0 CEADMP CC(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182268487 189318430 /nfs/dbraw/zinc/31/84/30/189318430.db2.gz HKTLSCSZEDEIPA-PBHICJAKSA-N 2 1 276.424 2.387 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)CCc2ccccc2)CC[N@@H+]1C ZINC000182438787 189323489 /nfs/dbraw/zinc/32/34/89/189323489.db2.gz BPZIBBYHYMRGJO-RYQLBKOJSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)CCc2ccccc2)CC[N@H+]1C ZINC000182438787 189323490 /nfs/dbraw/zinc/32/34/90/189323490.db2.gz BPZIBBYHYMRGJO-RYQLBKOJSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)CCc2ccccc2)CC[NH+]1C ZINC000182438787 189323491 /nfs/dbraw/zinc/32/34/91/189323491.db2.gz BPZIBBYHYMRGJO-RYQLBKOJSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)CCc2ccccc2)CC[NH+]1C ZINC000182438787 189323492 /nfs/dbraw/zinc/32/34/92/189323492.db2.gz BPZIBBYHYMRGJO-RYQLBKOJSA-N 2 1 290.451 2.395 20 0 CEADMP CC(C)=CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153959929 366746209 /nfs/dbraw/zinc/74/62/09/366746209.db2.gz RYRFMOAIZMNKMZ-CALCHBBNSA-N 2 1 279.472 2.443 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(CO)cc2)CC[N@@H+]1C ZINC000182824366 189336410 /nfs/dbraw/zinc/33/64/10/189336410.db2.gz DAEGZNZFWZAIDR-XJKSGUPXSA-N 2 1 262.397 2.093 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(CO)cc2)CC[N@H+]1C ZINC000182824366 189336411 /nfs/dbraw/zinc/33/64/11/189336411.db2.gz DAEGZNZFWZAIDR-XJKSGUPXSA-N 2 1 262.397 2.093 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(CO)cc2)CC[NH+]1C ZINC000182824366 189336412 /nfs/dbraw/zinc/33/64/12/189336412.db2.gz DAEGZNZFWZAIDR-XJKSGUPXSA-N 2 1 262.397 2.093 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(CO)cc2)CC[NH+]1C ZINC000182824366 189336413 /nfs/dbraw/zinc/33/64/13/189336413.db2.gz DAEGZNZFWZAIDR-XJKSGUPXSA-N 2 1 262.397 2.093 20 0 CEADMP CCc1cccc(C[NH2+]C2CC[NH+](CCOC)CC2)c1 ZINC000581493557 366785203 /nfs/dbraw/zinc/78/52/03/366785203.db2.gz YUBVMWIZTMBMGN-UHFFFAOYSA-N 2 1 276.424 2.449 20 0 CEADMP CC(C)CC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000581543654 366792476 /nfs/dbraw/zinc/79/24/76/366792476.db2.gz PWWLOCQRFILFDU-WTXIUTQJSA-N 2 1 268.445 2.388 20 0 CEADMP CCO[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000155716695 366821531 /nfs/dbraw/zinc/82/15/31/366821531.db2.gz ZJBVXEHYNNYGTH-RRFJBIMHSA-N 2 1 256.434 2.367 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC[N@@H+]1C ZINC000155926759 366823713 /nfs/dbraw/zinc/82/37/13/366823713.db2.gz GHLOKCRZMXGSRB-FPCVCCKLSA-N 2 1 276.428 2.439 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC[N@H+]1C ZINC000155926759 366823723 /nfs/dbraw/zinc/82/37/23/366823723.db2.gz GHLOKCRZMXGSRB-FPCVCCKLSA-N 2 1 276.428 2.439 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1noc2ccccc12 ZINC000571820668 299330155 /nfs/dbraw/zinc/33/01/55/299330155.db2.gz HJVNXEMBDRVXJE-AAEUAGOBSA-N 2 1 259.353 2.306 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c(C)n1 ZINC000678415127 541131588 /nfs/dbraw/zinc/13/15/88/541131588.db2.gz YMJZFLPOTSOYJY-AWEZNQCLSA-N 2 1 291.439 2.196 20 0 CEADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]2CCCO[C@@H]21 ZINC000085674031 363835906 /nfs/dbraw/zinc/83/59/06/363835906.db2.gz PGVWFYHKOYQLLI-OAGGEKHMSA-N 2 1 278.440 2.406 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2ccnn2C)CC1 ZINC000571942992 299336525 /nfs/dbraw/zinc/33/65/25/299336525.db2.gz WNKNJAZBLMRCKK-UHFFFAOYSA-N 2 1 278.444 2.015 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(COC)c2)C1 ZINC000088553528 363906751 /nfs/dbraw/zinc/90/67/51/363906751.db2.gz MQTBUQLACWJPRE-INIZCTEOSA-N 2 1 262.397 2.264 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(COC)cc2)C1 ZINC000088567802 363908018 /nfs/dbraw/zinc/90/80/18/363908018.db2.gz ZSBXZHAALJIAPT-MRXNPFEDSA-N 2 1 262.397 2.264 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CCOC)CC2)[C@H](C)C1 ZINC000090535601 364062621 /nfs/dbraw/zinc/06/26/21/364062621.db2.gz ABOJVHBSPFJDOF-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC000334624757 364097146 /nfs/dbraw/zinc/09/71/46/364097146.db2.gz OKGOPSNDPNUZAN-CYBMUJFWSA-N 2 1 258.356 2.449 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC000334624757 364097150 /nfs/dbraw/zinc/09/71/50/364097150.db2.gz OKGOPSNDPNUZAN-CYBMUJFWSA-N 2 1 258.356 2.449 20 0 CEADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCc3cscn3)C2)C1 ZINC000334625184 364098422 /nfs/dbraw/zinc/09/84/22/364098422.db2.gz YLDSXYMHMXESLG-AWEZNQCLSA-N 2 1 265.426 2.103 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCc3cscn3)C2)C1 ZINC000334625184 364098431 /nfs/dbraw/zinc/09/84/31/364098431.db2.gz YLDSXYMHMXESLG-AWEZNQCLSA-N 2 1 265.426 2.103 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCc3cscn3)C2)C1 ZINC000334625184 364098437 /nfs/dbraw/zinc/09/84/37/364098437.db2.gz YLDSXYMHMXESLG-AWEZNQCLSA-N 2 1 265.426 2.103 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3cscn3)C2)C1 ZINC000334625184 364098444 /nfs/dbraw/zinc/09/84/44/364098444.db2.gz YLDSXYMHMXESLG-AWEZNQCLSA-N 2 1 265.426 2.103 20 0 CEADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(OC)c1 ZINC000093088910 364140064 /nfs/dbraw/zinc/14/00/64/364140064.db2.gz NIDAWLJLSISOIG-UHFFFAOYSA-N 2 1 292.423 2.477 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H](CCO)C(C)(C)C)s1 ZINC000356444306 370713757 /nfs/dbraw/zinc/71/37/57/370713757.db2.gz YEEALKORGJCENH-LBPRGKRZSA-N 2 1 285.457 2.091 20 0 CEADMP C[NH+](C)[C@H](C(=O)N1CCCCC[C@H]([NH3+])C1)c1ccccc1 ZINC000638818925 370773032 /nfs/dbraw/zinc/77/30/32/370773032.db2.gz FXXMYRXTVOLKDJ-HOTGVXAUSA-N 2 1 289.423 2.019 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000094342150 364268462 /nfs/dbraw/zinc/26/84/62/364268462.db2.gz VRXXSDHYXWAYLZ-RISCZKNCSA-N 2 1 268.788 2.388 20 0 CEADMP Cc1ncsc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334869078 364281245 /nfs/dbraw/zinc/28/12/45/364281245.db2.gz OMLDZWZXLBCKMN-QWHCGFSZSA-N 2 1 265.426 2.416 20 0 CEADMP C[C@@H](CCc1cccc(F)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000679988055 541349912 /nfs/dbraw/zinc/34/99/12/541349912.db2.gz BLTUOUFDMGBXEA-AEGPPILISA-N 2 1 262.372 2.298 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493893282 541353945 /nfs/dbraw/zinc/35/39/45/541353945.db2.gz DUVVHLBUAHPEFT-APIJFGDWSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1cnc(C)nc1N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000582072822 366859244 /nfs/dbraw/zinc/85/92/44/366859244.db2.gz KNEJWRFULSPVDK-DGCLKSJQSA-N 2 1 262.401 2.048 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000104134336 364679558 /nfs/dbraw/zinc/67/95/58/364679558.db2.gz VJDVVUHFGBGMRP-OAHLLOKOSA-N 2 1 283.460 2.096 20 0 CEADMP c1[nH]nc2c1cccc2C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335631319 212345191 /nfs/dbraw/zinc/34/51/91/212345191.db2.gz AHOTUZIOBZGNSZ-UKRRQHHQSA-N 2 1 284.407 2.384 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000113513643 364900833 /nfs/dbraw/zinc/90/08/33/364900833.db2.gz MVVKPGWIOCGKQN-ZDUSSCGKSA-N 2 1 293.386 2.038 20 0 CEADMP CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515771 364902944 /nfs/dbraw/zinc/90/29/44/364902944.db2.gz GBIVMNQODSUAIY-AWEZNQCLSA-N 2 1 262.397 2.469 20 0 CEADMP CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515771 364902950 /nfs/dbraw/zinc/90/29/50/364902950.db2.gz GBIVMNQODSUAIY-AWEZNQCLSA-N 2 1 262.397 2.469 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000114478698 364947246 /nfs/dbraw/zinc/94/72/46/364947246.db2.gz ZDQKUOVEAHIGBI-AWEZNQCLSA-N 2 1 260.381 2.005 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000114478698 364947251 /nfs/dbraw/zinc/94/72/51/364947251.db2.gz ZDQKUOVEAHIGBI-AWEZNQCLSA-N 2 1 260.381 2.005 20 0 CEADMP C[C@H]1C[N@@H+](CC2(C)CCC2)CCN1C1CC[NH+](C)CC1 ZINC000335771367 364958941 /nfs/dbraw/zinc/95/89/41/364958941.db2.gz RKQBNPVEMICKJW-HNNXBMFYSA-N 2 1 279.472 2.277 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000680541744 541426087 /nfs/dbraw/zinc/42/60/87/541426087.db2.gz BOIRPQCNCICQPQ-LLVKDONJSA-N 2 1 255.312 2.425 20 0 CEADMP C[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccncc1 ZINC000680541735 541426199 /nfs/dbraw/zinc/42/61/99/541426199.db2.gz AONKQUNFKLTBJP-CYBMUJFWSA-N 2 1 270.380 2.436 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](CCC(C)(C)C)CC1 ZINC000115545687 365013428 /nfs/dbraw/zinc/01/34/28/365013428.db2.gz LFACARMRTZNUAR-UHFFFAOYSA-N 2 1 256.434 2.201 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCOC1 ZINC000356870766 370799106 /nfs/dbraw/zinc/79/91/06/370799106.db2.gz OKKCILRNSSHIPN-QWHCGFSZSA-N 2 1 252.402 2.018 20 0 CEADMP COC1(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCC1 ZINC000340440158 366884274 /nfs/dbraw/zinc/88/42/74/366884274.db2.gz GWXKCPBZGWFELN-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP COC1(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCC1 ZINC000340440159 366885125 /nfs/dbraw/zinc/88/51/25/366885125.db2.gz GWXKCPBZGWFELN-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP COCC1(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000340444400 366886694 /nfs/dbraw/zinc/88/66/94/366886694.db2.gz LUQULDOLHZYJTN-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1OCC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000119972076 365354448 /nfs/dbraw/zinc/35/44/48/365354448.db2.gz LFOBUDQLCZHZEO-DZGCQCFKSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@@H+]1C[C@H]2CN(Cc3ccsc3Cl)C[C@H]2C1 ZINC000336108876 365419231 /nfs/dbraw/zinc/41/92/31/365419231.db2.gz GXOWLWPUIFBADE-PHIMTYICSA-N 2 1 256.802 2.395 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000120238811 365394296 /nfs/dbraw/zinc/39/42/96/365394296.db2.gz WJZKJROXWXYHNU-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000120612593 365451195 /nfs/dbraw/zinc/45/11/95/365451195.db2.gz OJEQZKJLPYGLTG-HNNXBMFYSA-N 2 1 284.831 2.359 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCOCC2(CCC2)C1 ZINC000336190984 365522610 /nfs/dbraw/zinc/52/26/10/365522610.db2.gz MWYZBJFYSMEXNW-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCOCC2(CCC2)C1 ZINC000336190984 365522611 /nfs/dbraw/zinc/52/26/11/365522611.db2.gz MWYZBJFYSMEXNW-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCOCC2(CCC2)C1 ZINC000336190984 365522612 /nfs/dbraw/zinc/52/26/12/365522612.db2.gz MWYZBJFYSMEXNW-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)F)[C@@H](C)C1 ZINC000340464943 366893594 /nfs/dbraw/zinc/89/35/94/366893594.db2.gz JFMCLQCMJMXSKA-KKUMJFAQSA-N 2 1 274.424 2.461 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000340465294 366893609 /nfs/dbraw/zinc/89/36/09/366893609.db2.gz HSKVNVHDAVXZJW-CYBMUJFWSA-N 2 1 265.401 2.473 20 0 CEADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000582752863 366952812 /nfs/dbraw/zinc/95/28/12/366952812.db2.gz GGXGGFDSXLVQTL-IUODEOHRSA-N 2 1 288.395 2.442 20 0 CEADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000680989900 541484588 /nfs/dbraw/zinc/48/45/88/541484588.db2.gz GVJMUINHNUTXJW-PVAVHDDUSA-N 2 1 276.424 2.225 20 0 CEADMP CCCC[C@@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000340657903 366971427 /nfs/dbraw/zinc/97/14/27/366971427.db2.gz AXUYNCYXDRVNGZ-GFCCVEGCSA-N 2 1 260.341 2.385 20 0 CEADMP COC[C@H](Cc1ccccc1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000340701185 366996146 /nfs/dbraw/zinc/99/61/46/366996146.db2.gz KLMSYRUVXSYOQY-DLBZAZTESA-N 2 1 276.424 2.176 20 0 CEADMP CC(C)n1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000583492301 367055557 /nfs/dbraw/zinc/05/55/57/367055557.db2.gz BAIDFCMFRNXKRI-UKRRQHHQSA-N 2 1 264.417 2.236 20 0 CEADMP CC(C)n1cc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cn1 ZINC000583492301 367055563 /nfs/dbraw/zinc/05/55/63/367055563.db2.gz BAIDFCMFRNXKRI-UKRRQHHQSA-N 2 1 264.417 2.236 20 0 CEADMP C[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000583993160 367126686 /nfs/dbraw/zinc/12/66/86/367126686.db2.gz BEEMBCNLLHKMFD-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCN(C)C2(CCCCC2)C1 ZINC000584478578 367163495 /nfs/dbraw/zinc/16/34/95/367163495.db2.gz WHEQFJCBMBEAKW-UHFFFAOYSA-N 2 1 290.455 2.303 20 0 CEADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245637386 370853396 /nfs/dbraw/zinc/85/33/96/370853396.db2.gz RQRCDLVBIVYQNW-JKSUJKDBSA-N 3 1 290.455 2.159 20 0 CEADMP Cn1ccnc1C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245637386 370853403 /nfs/dbraw/zinc/85/34/03/370853403.db2.gz RQRCDLVBIVYQNW-JKSUJKDBSA-N 3 1 290.455 2.159 20 0 CEADMP Cn1ccnc1C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245637386 370853406 /nfs/dbraw/zinc/85/34/06/370853406.db2.gz RQRCDLVBIVYQNW-JKSUJKDBSA-N 3 1 290.455 2.159 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOCC2CC2)[C@H](C)C1 ZINC000162863173 367197822 /nfs/dbraw/zinc/19/78/22/367197822.db2.gz FZVNIQDKJJZJHP-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000163196468 367224496 /nfs/dbraw/zinc/22/44/96/367224496.db2.gz IFHCFYHBIIEWPE-ZYHUDNBSSA-N 2 1 270.323 2.457 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCNc2ccccn2)[C@H](C)C1 ZINC000163805201 367266667 /nfs/dbraw/zinc/26/66/67/367266667.db2.gz GQTAVTXHAQIYIG-CABCVRRESA-N 2 1 276.428 2.204 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000163254725 367227338 /nfs/dbraw/zinc/22/73/38/367227338.db2.gz LCBIZNYXPKNTHB-HUUCEWRRSA-N 2 1 262.397 2.351 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000163641448 367256137 /nfs/dbraw/zinc/25/61/37/367256137.db2.gz QKZBYQDYRVSDDQ-RHSMWYFYSA-N 2 1 292.423 2.394 20 0 CEADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1cnn(C)c1 ZINC000164590637 367290004 /nfs/dbraw/zinc/29/00/04/367290004.db2.gz FLDBCBLDNDRKIL-HNNXBMFYSA-N 2 1 275.400 2.446 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000164640192 367291477 /nfs/dbraw/zinc/29/14/77/367291477.db2.gz CQPCUBDLUFQTEM-GFCCVEGCSA-N 2 1 261.373 2.056 20 0 CEADMP CCc1nc(NC[C@@H](CC(C)C)[NH+](C)C)cc(C)[nH+]1 ZINC000341357252 367301904 /nfs/dbraw/zinc/30/19/04/367301904.db2.gz JYWRNQMRTCFKLR-CYBMUJFWSA-N 2 1 264.417 2.158 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c(C)n1 ZINC000165292813 367306927 /nfs/dbraw/zinc/30/69/27/367306927.db2.gz YCEDTLCNUJVWNY-STQMWFEESA-N 2 1 276.428 2.476 20 0 CEADMP COC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165344688 367307249 /nfs/dbraw/zinc/30/72/49/367307249.db2.gz SLTDNUVYRLBOOQ-DOTOQJQBSA-N 2 1 276.424 2.176 20 0 CEADMP C[C@@H](CCC(C)(C)C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000342699249 367489825 /nfs/dbraw/zinc/48/98/25/367489825.db2.gz NQTRPULGRBRCNK-LSDHHAIUSA-N 2 1 297.487 2.378 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C1CCCCC1 ZINC000342807351 367547919 /nfs/dbraw/zinc/54/79/19/367547919.db2.gz YGDRNUFDFIPOGS-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000342807351 367547923 /nfs/dbraw/zinc/54/79/23/367547923.db2.gz YGDRNUFDFIPOGS-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000342807351 367547929 /nfs/dbraw/zinc/54/79/29/367547929.db2.gz YGDRNUFDFIPOGS-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCC2([NH+](C)C)CCCCC2)C1 ZINC000342850570 367570837 /nfs/dbraw/zinc/57/08/37/367570837.db2.gz NDODHAHLYDCUEW-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1nccn1CCC[N@@H+](CCCO)CC(C)(C)C ZINC000342864721 367578066 /nfs/dbraw/zinc/57/80/66/367578066.db2.gz PMKTZHGWSXKRQX-UHFFFAOYSA-N 2 1 267.417 2.312 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](CCCO)CC(C)(C)C ZINC000342864721 367578073 /nfs/dbraw/zinc/57/80/73/367578073.db2.gz PMKTZHGWSXKRQX-UHFFFAOYSA-N 2 1 267.417 2.312 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](CCCO)CC(C)(C)C ZINC000342864721 367578078 /nfs/dbraw/zinc/57/80/78/367578078.db2.gz PMKTZHGWSXKRQX-UHFFFAOYSA-N 2 1 267.417 2.312 20 0 CEADMP C[C@@H]1C[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000631843659 367585776 /nfs/dbraw/zinc/58/57/76/367585776.db2.gz RGAJNLOYJGVVIZ-UKRRQHHQSA-N 2 1 297.402 2.305 20 0 CEADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000631843659 367585782 /nfs/dbraw/zinc/58/57/82/367585782.db2.gz RGAJNLOYJGVVIZ-UKRRQHHQSA-N 2 1 297.402 2.305 20 0 CEADMP Cc1ncccc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335542395 212241272 /nfs/dbraw/zinc/24/12/72/212241272.db2.gz CSAHPTHWBKTISE-ZDUSSCGKSA-N 2 1 259.397 2.354 20 0 CEADMP c1ccc(COCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631889569 367611259 /nfs/dbraw/zinc/61/12/59/367611259.db2.gz HMVCDDKNAIKLNE-DLBZAZTESA-N 2 1 274.408 2.277 20 0 CEADMP CN(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)c1ccccc1 ZINC000631889053 367611350 /nfs/dbraw/zinc/61/13/50/367611350.db2.gz DVEBILAZXNKVGP-DOTOQJQBSA-N 2 1 273.424 2.197 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000358021353 370872812 /nfs/dbraw/zinc/87/28/12/370872812.db2.gz NLHZTZCYXDQIGV-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358030634 370877369 /nfs/dbraw/zinc/87/73/69/370877369.db2.gz YBJMUJOJFJETAA-GMTAPVOTSA-N 2 1 268.323 2.026 20 0 CEADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358030634 370877374 /nfs/dbraw/zinc/87/73/74/370877374.db2.gz YBJMUJOJFJETAA-GMTAPVOTSA-N 2 1 268.323 2.026 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000335526318 212216754 /nfs/dbraw/zinc/21/67/54/212216754.db2.gz FRAGPECSSGRYKP-QWHCGFSZSA-N 2 1 290.411 2.010 20 0 CEADMP c1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH]nc1-c1cccnc1 ZINC000343612506 367916951 /nfs/dbraw/zinc/91/69/51/367916951.db2.gz IGWLWODSCABZPZ-GDBMZVCRSA-N 2 1 297.406 2.188 20 0 CEADMP c1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[nH]nc1-c1cccnc1 ZINC000343612506 367916954 /nfs/dbraw/zinc/91/69/54/367916954.db2.gz IGWLWODSCABZPZ-GDBMZVCRSA-N 2 1 297.406 2.188 20 0 CEADMP C[C@@H](CCO)C1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCC1 ZINC000344295564 368117648 /nfs/dbraw/zinc/11/76/48/368117648.db2.gz UINWOESLCSIUSV-QXSJWSMHSA-N 2 1 282.472 2.494 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000335522771 212212167 /nfs/dbraw/zinc/21/21/67/212212167.db2.gz ZZJRTDDHANRHFD-CVEARBPZSA-N 2 1 295.471 2.227 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000343943690 368084434 /nfs/dbraw/zinc/08/44/34/368084434.db2.gz IIZIQSTUJUMRCF-UHFFFAOYSA-N 2 1 299.403 2.500 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(CO)c1 ZINC000345189733 368187196 /nfs/dbraw/zinc/18/71/96/368187196.db2.gz SFFONQLMDSMTJE-HEHGZKQESA-N 2 1 262.397 2.312 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(CO)c1 ZINC000345189733 368187199 /nfs/dbraw/zinc/18/71/99/368187199.db2.gz SFFONQLMDSMTJE-HEHGZKQESA-N 2 1 262.397 2.312 20 0 CEADMP C[C@H](CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000345755471 368405840 /nfs/dbraw/zinc/40/58/40/368405840.db2.gz SZMDQOQLXSSJMH-OAGGEKHMSA-N 2 1 295.471 2.240 20 0 CEADMP CCC(CC)(C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C(=O)OC ZINC000181162720 368426615 /nfs/dbraw/zinc/42/66/15/368426615.db2.gz XURIVUZNCBJMEV-MELADBBJSA-N 2 1 284.444 2.284 20 0 CEADMP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000335492875 212170188 /nfs/dbraw/zinc/17/01/88/212170188.db2.gz SPTAKTFNDQDDSP-NOZJJQNGSA-N 2 1 252.308 2.151 20 0 CEADMP C[N@H+](CCO[C@@H]1CCCCO1)CC[C@H]1CCCC[NH+]1C ZINC000181720848 368487597 /nfs/dbraw/zinc/48/75/97/368487597.db2.gz MHTRXLZDJGQBSM-HZPDHXFCSA-N 2 1 284.444 2.336 20 0 CEADMP C[N@@H+](CCO[C@@H]1CCCCO1)CC[C@H]1CCCC[NH+]1C ZINC000181720848 368487599 /nfs/dbraw/zinc/48/75/99/368487599.db2.gz MHTRXLZDJGQBSM-HZPDHXFCSA-N 2 1 284.444 2.336 20 0 CEADMP C[NH+](CCO[C@@H]1CCCCO1)CC[C@H]1CCCC[N@@H+]1C ZINC000181720848 368487601 /nfs/dbraw/zinc/48/76/01/368487601.db2.gz MHTRXLZDJGQBSM-HZPDHXFCSA-N 2 1 284.444 2.336 20 0 CEADMP C[NH+](CCO[C@@H]1CCCCO1)CC[C@H]1CCCC[N@H+]1C ZINC000181720848 368487604 /nfs/dbraw/zinc/48/76/04/368487604.db2.gz MHTRXLZDJGQBSM-HZPDHXFCSA-N 2 1 284.444 2.336 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212225 368594519 /nfs/dbraw/zinc/59/45/19/368594519.db2.gz PZIITIPDBPALAW-ZIAGYGMSSA-N 2 1 290.411 2.221 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212225 368594521 /nfs/dbraw/zinc/59/45/21/368594521.db2.gz PZIITIPDBPALAW-ZIAGYGMSSA-N 2 1 290.411 2.221 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212225 368594522 /nfs/dbraw/zinc/59/45/22/368594522.db2.gz PZIITIPDBPALAW-ZIAGYGMSSA-N 2 1 290.411 2.221 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212225 368594524 /nfs/dbraw/zinc/59/45/24/368594524.db2.gz PZIITIPDBPALAW-ZIAGYGMSSA-N 2 1 290.411 2.221 20 0 CEADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000183491852 368629772 /nfs/dbraw/zinc/62/97/72/368629772.db2.gz SIGYULSJJBNYFW-OGHNNQOOSA-N 2 1 292.471 2.288 20 0 CEADMP CCC[N@@H+](CCn1ccnc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000346313393 368632201 /nfs/dbraw/zinc/63/22/01/368632201.db2.gz PYHFHQNYNPXVLI-KFWWJZLASA-N 2 1 277.412 2.409 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC000358117536 370912330 /nfs/dbraw/zinc/91/23/30/370912330.db2.gz LWOORYNHBTWLDT-HNNXBMFYSA-N 2 1 282.453 2.202 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC000358117536 370912334 /nfs/dbraw/zinc/91/23/34/370912334.db2.gz LWOORYNHBTWLDT-HNNXBMFYSA-N 2 1 282.453 2.202 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2ncc(COC)s2)CC1 ZINC000346693202 368776563 /nfs/dbraw/zinc/77/65/63/368776563.db2.gz LIJPJVRIGIRCOD-UHFFFAOYSA-N 2 1 283.441 2.111 20 0 CEADMP COc1c(C)cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000346693775 368775531 /nfs/dbraw/zinc/77/55/31/368775531.db2.gz PQDSKWUMFKNORD-UKRRQHHQSA-N 2 1 262.397 2.481 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)[C@@H](C)C1 ZINC000246280452 370940910 /nfs/dbraw/zinc/94/09/10/370940910.db2.gz BMTLEBXZJPLIHJ-FZKCQIBNSA-N 2 1 298.496 2.361 20 0 CEADMP Cc1nn(C)c2ncc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc12 ZINC000346687103 368770598 /nfs/dbraw/zinc/77/05/98/368770598.db2.gz VKSSUDZOJLYCOJ-OAHLLOKOSA-N 2 1 289.427 2.082 20 0 CEADMP Cc1nn(C)c2ncc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc12 ZINC000346687103 368770601 /nfs/dbraw/zinc/77/06/01/368770601.db2.gz VKSSUDZOJLYCOJ-OAHLLOKOSA-N 2 1 289.427 2.082 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cnc21 ZINC000346651136 368752720 /nfs/dbraw/zinc/75/27/20/368752720.db2.gz GZBOFGYZMNFVPQ-GXTWGEPZSA-N 2 1 287.411 2.181 20 0 CEADMP Cc1nccn1CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934176 368828895 /nfs/dbraw/zinc/82/88/95/368828895.db2.gz QXSKZWAQJVSLBI-GDBMZVCRSA-N 2 1 290.455 2.434 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934176 368828901 /nfs/dbraw/zinc/82/89/01/368828901.db2.gz QXSKZWAQJVSLBI-GDBMZVCRSA-N 3 1 290.455 2.434 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934176 368828903 /nfs/dbraw/zinc/82/89/03/368828903.db2.gz QXSKZWAQJVSLBI-GDBMZVCRSA-N 3 1 290.455 2.434 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000634733294 368845327 /nfs/dbraw/zinc/84/53/27/368845327.db2.gz CAULXSVQZWXBFV-CAOSSQGBSA-N 2 1 279.472 2.275 20 0 CEADMP COC(=O)CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185681728 368841466 /nfs/dbraw/zinc/84/14/66/368841466.db2.gz XQHXXMMXNDVWEL-KBPBESRZSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347100547 368799643 /nfs/dbraw/zinc/79/96/43/368799643.db2.gz LIEBBWWUBWJWNV-BMFZPTHFSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347100547 368799646 /nfs/dbraw/zinc/79/96/46/368799646.db2.gz LIEBBWWUBWJWNV-BMFZPTHFSA-N 2 1 266.429 2.266 20 0 CEADMP CCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185759028 368855898 /nfs/dbraw/zinc/85/58/98/368855898.db2.gz HNGWWDUAGAUOHT-QLFBSQMISA-N 2 1 295.471 2.144 20 0 CEADMP CCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185759028 368855903 /nfs/dbraw/zinc/85/59/03/368855903.db2.gz HNGWWDUAGAUOHT-QLFBSQMISA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@@H]1CC[C@H]1[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000348086499 368889888 /nfs/dbraw/zinc/88/98/88/368889888.db2.gz OFTXGMFJTPRZEZ-HZPDHXFCSA-N 2 1 267.461 2.182 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)c2c1C ZINC000634810868 368899160 /nfs/dbraw/zinc/89/91/60/368899160.db2.gz LBZLGMAIYJQDBB-BREBYQMCSA-N 2 1 287.411 2.384 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@@H]4C[NH2+]CC[C@@H]43)c2c1C ZINC000634812207 368902026 /nfs/dbraw/zinc/90/20/26/368902026.db2.gz CHCPDHGLWPQNQR-OLZOCXBDSA-N 2 1 285.395 2.153 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634961324 368995979 /nfs/dbraw/zinc/99/59/79/368995979.db2.gz RIBDJUQWHXVDMO-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634961324 368995983 /nfs/dbraw/zinc/99/59/83/368995983.db2.gz RIBDJUQWHXVDMO-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634991793 369019959 /nfs/dbraw/zinc/01/99/59/369019959.db2.gz RMIBYEQXSNKFOL-HIFRSBDPSA-N 2 1 296.418 2.500 20 0 CEADMP CCN(CC12CC(C1)C[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000634993995 369023822 /nfs/dbraw/zinc/02/38/22/369023822.db2.gz MZGQGGFKYLQBKM-XBMUEBEBSA-N 2 1 299.462 2.335 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)C[C@H]1C[NH3+] ZINC000634998362 369030402 /nfs/dbraw/zinc/03/04/02/369030402.db2.gz DSKNEFBMTNRGQZ-WCQYABFASA-N 2 1 284.350 2.357 20 0 CEADMP Cn1ccnc1[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000635011376 369048465 /nfs/dbraw/zinc/04/84/65/369048465.db2.gz NJUWELAAEJEADF-KBPBESRZSA-N 2 1 276.428 2.239 20 0 CEADMP Cn1ccnc1[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000635011378 369048897 /nfs/dbraw/zinc/04/88/97/369048897.db2.gz NJUWELAAEJEADF-UONOGXRCSA-N 2 1 276.428 2.239 20 0 CEADMP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccncn1 ZINC000635006139 369042848 /nfs/dbraw/zinc/04/28/48/369042848.db2.gz LBIJYRLUFSFIGC-HIFRSBDPSA-N 2 1 270.380 2.087 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635008257 369044151 /nfs/dbraw/zinc/04/41/51/369044151.db2.gz RGWWBUIKUJCHFU-GVDBMIGSSA-N 3 1 275.440 2.054 20 0 CEADMP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cc2n(n1)CCC2 ZINC000635007844 369044239 /nfs/dbraw/zinc/04/42/39/369044239.db2.gz PSDYMTYUZXAJHG-HOCLYGCPSA-N 2 1 298.434 2.440 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H](C)C[C@H](C)[NH3+])C2)cc1 ZINC000635012226 369050039 /nfs/dbraw/zinc/05/00/39/369050039.db2.gz JTNKKLMMVSEUEE-UXLLHSPISA-N 2 1 275.440 2.285 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H](C)C[C@H](C)[NH3+])C2)cc1 ZINC000635012226 369050044 /nfs/dbraw/zinc/05/00/44/369050044.db2.gz JTNKKLMMVSEUEE-UXLLHSPISA-N 2 1 275.440 2.285 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1nccn1C ZINC000635012399 369050461 /nfs/dbraw/zinc/05/04/61/369050461.db2.gz TYFATHBYXBEHPX-STQMWFEESA-N 2 1 264.417 2.239 20 0 CEADMP C[NH+](C)Cc1ccccc1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635264427 369121458 /nfs/dbraw/zinc/12/14/58/369121458.db2.gz NGPXUSONUBYYCN-ZDUSSCGKSA-N 2 1 275.396 2.029 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635325242 369141393 /nfs/dbraw/zinc/14/13/93/369141393.db2.gz LXGPICXYHSBZTL-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635325242 369141400 /nfs/dbraw/zinc/14/14/00/369141400.db2.gz LXGPICXYHSBZTL-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635325242 369141407 /nfs/dbraw/zinc/14/14/07/369141407.db2.gz LXGPICXYHSBZTL-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC000635443363 369173944 /nfs/dbraw/zinc/17/39/44/369173944.db2.gz HCONUKQYHKYZRM-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CN(CC[NH+](C)C1CCCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635443363 369173953 /nfs/dbraw/zinc/17/39/53/369173953.db2.gz HCONUKQYHKYZRM-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CN(CC[NH+](C)C1CCCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635443363 369173957 /nfs/dbraw/zinc/17/39/57/369173957.db2.gz HCONUKQYHKYZRM-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000635566432 369222218 /nfs/dbraw/zinc/22/22/18/369222218.db2.gz WMGRXDGDZWHTFR-ARFHVFGLSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC000635598293 369238666 /nfs/dbraw/zinc/23/86/66/369238666.db2.gz WWWZDLGNCVUTKW-CABCVRRESA-N 2 1 297.487 2.296 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC000635598293 369238668 /nfs/dbraw/zinc/23/86/68/369238668.db2.gz WWWZDLGNCVUTKW-CABCVRRESA-N 2 1 297.487 2.296 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC000635598293 369238670 /nfs/dbraw/zinc/23/86/70/369238670.db2.gz WWWZDLGNCVUTKW-CABCVRRESA-N 2 1 297.487 2.296 20 0 CEADMP CCCn1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000349183401 369259294 /nfs/dbraw/zinc/25/92/94/369259294.db2.gz HALKQMHPILHWSE-QGZVFWFLSA-N 2 1 290.455 2.457 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCSC1 ZINC000349381956 369316263 /nfs/dbraw/zinc/31/62/63/369316263.db2.gz IYDFSDDJZKMMEK-CYBMUJFWSA-N 2 1 253.415 2.267 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCSC1 ZINC000349381956 369316267 /nfs/dbraw/zinc/31/62/67/369316267.db2.gz IYDFSDDJZKMMEK-CYBMUJFWSA-N 2 1 253.415 2.267 20 0 CEADMP C[N@@H+](CC(=O)NC1CC([NH+]2CCCCC2)C1)CC(C)(C)C ZINC000635881815 369390437 /nfs/dbraw/zinc/39/04/37/369390437.db2.gz ORKAQZYYDISIOZ-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CCCN(CCC[NH+](C)C)C(=O)Cn1cc[nH+]c1C(C)C ZINC000635842813 369371007 /nfs/dbraw/zinc/37/10/07/369371007.db2.gz QBKHKIXUHKQVQO-UHFFFAOYSA-N 2 1 294.443 2.197 20 0 CEADMP C[C@H]1CC[C@](CO)([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC000189246589 369482646 /nfs/dbraw/zinc/48/26/46/369482646.db2.gz MUIOGEAQANUDKG-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358250263 370971311 /nfs/dbraw/zinc/97/13/11/370971311.db2.gz LEYGWZVGIBEMJP-ZBFHGGJFSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000358250263 370971319 /nfs/dbraw/zinc/97/13/19/370971319.db2.gz LEYGWZVGIBEMJP-ZBFHGGJFSA-N 2 1 262.397 2.021 20 0 CEADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358250791 370972879 /nfs/dbraw/zinc/97/28/79/370972879.db2.gz JZFNPMXNSVWRKR-JLZZUVOBSA-N 2 1 292.398 2.105 20 0 CEADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358250791 370972883 /nfs/dbraw/zinc/97/28/83/370972883.db2.gz JZFNPMXNSVWRKR-JLZZUVOBSA-N 2 1 292.398 2.105 20 0 CEADMP COCCOCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246455086 370964307 /nfs/dbraw/zinc/96/43/07/370964307.db2.gz FPWSQGMJPGANBP-SJORKVTESA-N 2 1 298.471 2.236 20 0 CEADMP COCCOCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246455086 370964310 /nfs/dbraw/zinc/96/43/10/370964310.db2.gz FPWSQGMJPGANBP-SJORKVTESA-N 2 1 298.471 2.236 20 0 CEADMP COCCOCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246455086 370964315 /nfs/dbraw/zinc/96/43/15/370964315.db2.gz FPWSQGMJPGANBP-SJORKVTESA-N 2 1 298.471 2.236 20 0 CEADMP COCCOCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246455086 370964319 /nfs/dbraw/zinc/96/43/19/370964319.db2.gz FPWSQGMJPGANBP-SJORKVTESA-N 2 1 298.471 2.236 20 0 CEADMP C[C@@H](CCC1CCCCC1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358263200 370980982 /nfs/dbraw/zinc/98/09/82/370980982.db2.gz XLYBHVLQMXGVRM-GOEBONIOSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@@H](CCC1CCCCC1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358263200 370980987 /nfs/dbraw/zinc/98/09/87/370980987.db2.gz XLYBHVLQMXGVRM-GOEBONIOSA-N 2 1 268.445 2.392 20 0 CEADMP CC[C@@]1(CO)CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000189608238 369546327 /nfs/dbraw/zinc/54/63/27/369546327.db2.gz XAVFKPAFXKWAEU-HNNXBMFYSA-N 2 1 265.401 2.209 20 0 CEADMP CC[C@@]1(CO)CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000189608238 369546332 /nfs/dbraw/zinc/54/63/32/369546332.db2.gz XAVFKPAFXKWAEU-HNNXBMFYSA-N 2 1 265.401 2.209 20 0 CEADMP CC[C@H](C)[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351494295 369637179 /nfs/dbraw/zinc/63/71/79/369637179.db2.gz YFRFGYZCKFZANW-XEZPLFJOSA-N 2 1 268.445 2.341 20 0 CEADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351494295 369637184 /nfs/dbraw/zinc/63/71/84/369637184.db2.gz YFRFGYZCKFZANW-XEZPLFJOSA-N 2 1 268.445 2.341 20 0 CEADMP CC[C@H](C)[C@H](C)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000351494295 369637187 /nfs/dbraw/zinc/63/71/87/369637187.db2.gz YFRFGYZCKFZANW-XEZPLFJOSA-N 2 1 268.445 2.341 20 0 CEADMP CC[C@H](C)[C@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351494295 369637190 /nfs/dbraw/zinc/63/71/90/369637190.db2.gz YFRFGYZCKFZANW-XEZPLFJOSA-N 2 1 268.445 2.341 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CC(C)(C)CC(C)(C)C1)C1CC1 ZINC000351606572 369644173 /nfs/dbraw/zinc/64/41/73/369644173.db2.gz UDXGBXQUNFIRNS-AWEZNQCLSA-N 2 1 268.445 2.200 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CC(C)(C)CC(C)(C)C1)C1CC1 ZINC000351606572 369644176 /nfs/dbraw/zinc/64/41/76/369644176.db2.gz UDXGBXQUNFIRNS-AWEZNQCLSA-N 2 1 268.445 2.200 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000351712188 369651128 /nfs/dbraw/zinc/65/11/28/369651128.db2.gz NHPWBEUARHUGIF-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351712188 369651133 /nfs/dbraw/zinc/65/11/33/369651133.db2.gz NHPWBEUARHUGIF-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351712188 369651136 /nfs/dbraw/zinc/65/11/36/369651136.db2.gz NHPWBEUARHUGIF-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351712188 369651140 /nfs/dbraw/zinc/65/11/40/369651140.db2.gz NHPWBEUARHUGIF-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351712188 369651144 /nfs/dbraw/zinc/65/11/44/369651144.db2.gz NHPWBEUARHUGIF-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000190787758 369652613 /nfs/dbraw/zinc/65/26/13/369652613.db2.gz XQUNXPIRMBSBBD-MRXNPFEDSA-N 2 1 290.455 2.358 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000190787758 369652617 /nfs/dbraw/zinc/65/26/17/369652617.db2.gz XQUNXPIRMBSBBD-MRXNPFEDSA-N 2 1 290.455 2.358 20 0 CEADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccnn1C ZINC000192246773 369785395 /nfs/dbraw/zinc/78/53/95/369785395.db2.gz HZNCKHFSRCQSSB-NSHDSACASA-N 2 1 264.417 2.380 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)s1 ZINC000352751373 369867831 /nfs/dbraw/zinc/86/78/31/369867831.db2.gz UPIAXMROYCIYLW-BNOWGMLFSA-N 2 1 295.452 2.108 20 0 CEADMP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000352813080 369891542 /nfs/dbraw/zinc/89/15/42/369891542.db2.gz JHIPFGDBLHIOOG-CVEARBPZSA-N 2 1 259.397 2.360 20 0 CEADMP CCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000352813080 369891546 /nfs/dbraw/zinc/89/15/46/369891546.db2.gz JHIPFGDBLHIOOG-CVEARBPZSA-N 2 1 259.397 2.360 20 0 CEADMP C[C@H]([NH2+]Cc1ccnc(N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000193549455 369953678 /nfs/dbraw/zinc/95/36/78/369953678.db2.gz YORMCVIQIUUCIN-DZGCQCFKSA-N 2 1 288.439 2.406 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000193437953 369941696 /nfs/dbraw/zinc/94/16/96/369941696.db2.gz NFJSVCFGYLMRFQ-KRWDZBQOSA-N 2 1 299.418 2.296 20 0 CEADMP C=Cn1cc(C[NH2+]CCCCn2cc[nH+]c2C)cn1 ZINC000194336319 370027078 /nfs/dbraw/zinc/02/70/78/370027078.db2.gz YPAVILPOFNOUSN-UHFFFAOYSA-N 2 1 259.357 2.059 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1CN[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000353139877 370036688 /nfs/dbraw/zinc/03/66/88/370036688.db2.gz OTLGHPIFUPKDSC-IJEWVQPXSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000353139877 370036693 /nfs/dbraw/zinc/03/66/93/370036693.db2.gz OTLGHPIFUPKDSC-IJEWVQPXSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000353139877 370036697 /nfs/dbraw/zinc/03/66/97/370036697.db2.gz OTLGHPIFUPKDSC-IJEWVQPXSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000353139877 370036701 /nfs/dbraw/zinc/03/67/01/370036701.db2.gz OTLGHPIFUPKDSC-IJEWVQPXSA-N 2 1 265.445 2.076 20 0 CEADMP COC(C)(C)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353144238 370038016 /nfs/dbraw/zinc/03/80/16/370038016.db2.gz JIBHDQWNCVWWTB-PBWFPOADSA-N 2 1 254.418 2.359 20 0 CEADMP COC(C)(C)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353144238 370038022 /nfs/dbraw/zinc/03/80/22/370038022.db2.gz JIBHDQWNCVWWTB-PBWFPOADSA-N 2 1 254.418 2.359 20 0 CEADMP COC(C)(C)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353144238 370038026 /nfs/dbraw/zinc/03/80/26/370038026.db2.gz JIBHDQWNCVWWTB-PBWFPOADSA-N 2 1 254.418 2.359 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]2C1 ZINC000194534723 370048171 /nfs/dbraw/zinc/04/81/71/370048171.db2.gz HXSBBLJPGYRVIR-IYBDPMFKSA-N 2 1 282.391 2.070 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]2C1 ZINC000194534723 370048175 /nfs/dbraw/zinc/04/81/75/370048175.db2.gz HXSBBLJPGYRVIR-IYBDPMFKSA-N 2 1 282.391 2.070 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]2C1 ZINC000194534723 370048178 /nfs/dbraw/zinc/04/81/78/370048178.db2.gz HXSBBLJPGYRVIR-IYBDPMFKSA-N 2 1 282.391 2.070 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]2C1 ZINC000194534723 370048181 /nfs/dbraw/zinc/04/81/81/370048181.db2.gz HXSBBLJPGYRVIR-IYBDPMFKSA-N 2 1 282.391 2.070 20 0 CEADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@H]2CC)c1 ZINC000637809376 370081310 /nfs/dbraw/zinc/08/13/10/370081310.db2.gz WMFXVDOVSNWFIC-CVEARBPZSA-N 2 1 289.423 2.465 20 0 CEADMP Cn1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(-c2ccccc2)n1 ZINC000194537289 370048498 /nfs/dbraw/zinc/04/84/98/370048498.db2.gz KXHCADCJWBSASZ-IYBDPMFKSA-N 2 1 296.418 2.081 20 0 CEADMP Cn1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(-c2ccccc2)n1 ZINC000194537289 370048500 /nfs/dbraw/zinc/04/85/00/370048500.db2.gz KXHCADCJWBSASZ-IYBDPMFKSA-N 2 1 296.418 2.081 20 0 CEADMP Cn1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(-c2ccccc2)n1 ZINC000194537289 370048510 /nfs/dbraw/zinc/04/85/10/370048510.db2.gz KXHCADCJWBSASZ-IYBDPMFKSA-N 2 1 296.418 2.081 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000353978339 370160933 /nfs/dbraw/zinc/16/09/33/370160933.db2.gz KJHNNQIBKSOSRW-UWVGGRQHSA-N 2 1 250.308 2.259 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000353978341 370160973 /nfs/dbraw/zinc/16/09/73/370160973.db2.gz KJHNNQIBKSOSRW-ZJUUUORDSA-N 2 1 250.308 2.259 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000221788435 370246458 /nfs/dbraw/zinc/24/64/58/370246458.db2.gz JEKJNRRHYBIPFG-UHFFFAOYSA-N 2 1 277.412 2.465 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000221788435 370246462 /nfs/dbraw/zinc/24/64/62/370246462.db2.gz JEKJNRRHYBIPFG-UHFFFAOYSA-N 2 1 277.412 2.465 20 0 CEADMP C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000216499401 370189267 /nfs/dbraw/zinc/18/92/67/370189267.db2.gz CQNLRBNMBFCTNE-YYIAUSFCSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000216499401 370189269 /nfs/dbraw/zinc/18/92/69/370189269.db2.gz CQNLRBNMBFCTNE-YYIAUSFCSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000216499401 370189272 /nfs/dbraw/zinc/18/92/72/370189272.db2.gz CQNLRBNMBFCTNE-YYIAUSFCSA-N 3 1 281.488 2.427 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@](C)(OC)C2CC2)C1 ZINC000638122110 370317775 /nfs/dbraw/zinc/31/77/75/370317775.db2.gz HXRFNYOZYCBMSW-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP C(C[C@@H]1CCO1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000638122176 370318122 /nfs/dbraw/zinc/31/81/22/370318122.db2.gz LTIVRXWFKUQQQR-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP C[C@@H]1CC[N@H+](CCCOCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000224846282 370282933 /nfs/dbraw/zinc/28/29/33/370282933.db2.gz XZKGRWLBQOBUJD-GHMZBOCLSA-N 2 1 268.323 2.015 20 0 CEADMP C[C@@H]1CC[N@@H+](CCCOCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000224846282 370282936 /nfs/dbraw/zinc/28/29/36/370282936.db2.gz XZKGRWLBQOBUJD-GHMZBOCLSA-N 2 1 268.323 2.015 20 0 CEADMP CC[NH2+][C@@H](C)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000638078784 370284558 /nfs/dbraw/zinc/28/45/58/370284558.db2.gz GLFIGOFZHBZYMJ-AWEZNQCLSA-N 2 1 291.439 2.141 20 0 CEADMP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000638086895 370289469 /nfs/dbraw/zinc/28/94/69/370289469.db2.gz WYNAPYNJUMLCHD-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638117301 370315193 /nfs/dbraw/zinc/31/51/93/370315193.db2.gz SXPZWWKPMRLJFI-CABCVRRESA-N 2 1 283.460 2.131 20 0 CEADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)sn1 ZINC000638176117 370357761 /nfs/dbraw/zinc/35/77/61/370357761.db2.gz CDRPMHXNRMRUHR-GXTWGEPZSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)sn1 ZINC000638176117 370357765 /nfs/dbraw/zinc/35/77/65/370357765.db2.gz CDRPMHXNRMRUHR-GXTWGEPZSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)sn1 ZINC000638176117 370357769 /nfs/dbraw/zinc/35/77/69/370357769.db2.gz CDRPMHXNRMRUHR-GXTWGEPZSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)sn1 ZINC000638176117 370357775 /nfs/dbraw/zinc/35/77/75/370357775.db2.gz CDRPMHXNRMRUHR-GXTWGEPZSA-N 2 1 265.426 2.368 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000354431310 370360110 /nfs/dbraw/zinc/36/01/10/370360110.db2.gz YGKLMFNXCFOKDG-CRAIPNDOSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000354431310 370360115 /nfs/dbraw/zinc/36/01/15/370360115.db2.gz YGKLMFNXCFOKDG-CRAIPNDOSA-N 2 1 288.435 2.402 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000354436058 370362049 /nfs/dbraw/zinc/36/20/49/370362049.db2.gz SZYXSFZGVDQTRG-UHFFFAOYSA-N 2 1 278.425 2.169 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)n1 ZINC000228015804 370392711 /nfs/dbraw/zinc/39/27/11/370392711.db2.gz GMXSZXBGLQHOIU-GHMZBOCLSA-N 2 1 264.373 2.028 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H]3CCC[C@H]32)n1 ZINC000228015804 370392715 /nfs/dbraw/zinc/39/27/15/370392715.db2.gz GMXSZXBGLQHOIU-GHMZBOCLSA-N 2 1 264.373 2.028 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)C2CCC(C)CC2)C1 ZINC000226335905 370335840 /nfs/dbraw/zinc/33/58/40/370335840.db2.gz RUENDNHORKUMDA-PYBGIAKNSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)C2CCC(C)CC2)C1 ZINC000226335905 370335847 /nfs/dbraw/zinc/33/58/47/370335847.db2.gz RUENDNHORKUMDA-PYBGIAKNSA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)n1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000228472026 370402851 /nfs/dbraw/zinc/40/28/51/370402851.db2.gz MOAXOICTPNSORK-NWANDNLSSA-N 2 1 262.401 2.023 20 0 CEADMP CC(C)n1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000228472026 370402856 /nfs/dbraw/zinc/40/28/56/370402856.db2.gz MOAXOICTPNSORK-NWANDNLSSA-N 2 1 262.401 2.023 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)C[C@H]21 ZINC000228534225 370404812 /nfs/dbraw/zinc/40/48/12/370404812.db2.gz RKBPBXVAQCDNTA-ARFHVFGLSA-N 2 1 272.392 2.181 20 0 CEADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCCNC(=O)C1)CC(C)C ZINC000638351779 370461748 /nfs/dbraw/zinc/46/17/48/370461748.db2.gz GHWWDWILRTXHPN-CABCVRRESA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1)[NH+]1CCCC1 ZINC000638353353 370462504 /nfs/dbraw/zinc/46/25/04/370462504.db2.gz RPRXWXKOPFNYIS-OWCLPIDISA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H](C[NH2+]CCCc1cnn(C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638363710 370472527 /nfs/dbraw/zinc/47/25/27/370472527.db2.gz PSUBUORUNVCFIN-CABCVRRESA-N 2 1 278.444 2.063 20 0 CEADMP C[C@@H](C[NH2+]CCCc1cnn(C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000638363710 370472533 /nfs/dbraw/zinc/47/25/33/370472533.db2.gz PSUBUORUNVCFIN-CABCVRRESA-N 2 1 278.444 2.063 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)CC2CCCC2)CC1 ZINC000232143895 370500589 /nfs/dbraw/zinc/50/05/89/370500589.db2.gz SOYRMIAYNPIASM-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)CC2CCCC2)CC1 ZINC000232143895 370500594 /nfs/dbraw/zinc/50/05/94/370500594.db2.gz SOYRMIAYNPIASM-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000638415629 370514806 /nfs/dbraw/zinc/51/48/06/370514806.db2.gz OLFXZELCRWNGSS-GOEBONIOSA-N 2 1 295.471 2.273 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)[C@@]12CCCO2 ZINC000354984704 370498955 /nfs/dbraw/zinc/49/89/55/370498955.db2.gz QELGPHXEJXBIPC-NNXHMXCWSA-N 2 1 296.455 2.033 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000638450256 370539312 /nfs/dbraw/zinc/53/93/12/370539312.db2.gz CZQFTEBVBXEPMK-INIZCTEOSA-N 2 1 262.397 2.000 20 0 CEADMP CO[C@](C)(C[NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000638558394 370604472 /nfs/dbraw/zinc/60/44/72/370604472.db2.gz XENUEQMPGLTYFI-MRXNPFEDSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000638579850 370617368 /nfs/dbraw/zinc/61/73/68/370617368.db2.gz XFKVPIMERNDWPN-UGUYLWEFSA-N 2 1 295.471 2.286 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000236792899 370628517 /nfs/dbraw/zinc/62/85/17/370628517.db2.gz DDHKJBUZBOOOME-GJZGRUSLSA-N 2 1 283.460 2.275 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000358398961 371048893 /nfs/dbraw/zinc/04/88/93/371048893.db2.gz XQDNBHWLBVSCGX-KGLIPLIRSA-N 2 1 283.460 2.142 20 0 CEADMP CC[N@H+](CCCc1cnn(C)c1)CCC[NH+]1CCCC1 ZINC000639174972 371049326 /nfs/dbraw/zinc/04/93/26/371049326.db2.gz DNOOPDNGQZUUJJ-UHFFFAOYSA-N 2 1 278.444 2.161 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccnc1 ZINC000358301671 371002299 /nfs/dbraw/zinc/00/22/99/371002299.db2.gz OVUDCVSASLXNES-XKQJLSEDSA-N 2 1 289.423 2.110 20 0 CEADMP C[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](C)[C@H]2C)[C@H]1C ZINC000246867730 371022407 /nfs/dbraw/zinc/02/24/07/371022407.db2.gz CVUDZSYKWGEAMN-SYMSYNOKSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](C)[C@H]2C)[C@H]1C ZINC000246867730 371022412 /nfs/dbraw/zinc/02/24/12/371022412.db2.gz CVUDZSYKWGEAMN-SYMSYNOKSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](C)[C@H]2C)[C@H]1C ZINC000246867730 371022417 /nfs/dbraw/zinc/02/24/17/371022417.db2.gz CVUDZSYKWGEAMN-SYMSYNOKSA-N 2 1 268.445 2.464 20 0 CEADMP C(C[N@H+]1CCC12CCOCC2)C[NH+]1CCCCC1 ZINC000683526257 541824797 /nfs/dbraw/zinc/82/47/97/541824797.db2.gz YKBBKSTWAFGGQY-UHFFFAOYSA-N 2 1 252.402 2.117 20 0 CEADMP CC[C@@](C)(C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)OC ZINC000639176746 371053477 /nfs/dbraw/zinc/05/34/77/371053477.db2.gz JVWUZAXSGHJMGW-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000639180755 371059480 /nfs/dbraw/zinc/05/94/80/371059480.db2.gz XYENJCIEKWXJSZ-SUMWQHHRSA-N 2 1 284.407 2.402 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2nccnc2c1 ZINC000639180755 371059489 /nfs/dbraw/zinc/05/94/89/371059489.db2.gz XYENJCIEKWXJSZ-SUMWQHHRSA-N 2 1 284.407 2.402 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000639180755 371059490 /nfs/dbraw/zinc/05/94/90/371059490.db2.gz XYENJCIEKWXJSZ-SUMWQHHRSA-N 2 1 284.407 2.402 20 0 CEADMP COCC1(C[NH2+]CCCC[N@@H+](C)C2CC2)CCC1 ZINC000639245172 371141179 /nfs/dbraw/zinc/14/11/79/371141179.db2.gz SXRKQXYGEYDUMH-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)OC ZINC000639257574 371157671 /nfs/dbraw/zinc/15/76/71/371157671.db2.gz PGIWFFBLTFSQMP-ZNMIVQPWSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C(C)(C)C ZINC000247999875 371153764 /nfs/dbraw/zinc/15/37/64/371153764.db2.gz KGUDYOBYSOFUJP-KGLIPLIRSA-N 2 1 256.434 2.248 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248129994 371163765 /nfs/dbraw/zinc/16/37/65/371163765.db2.gz OHXLNPDJVVMJJM-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP CCCCOC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248129994 371163770 /nfs/dbraw/zinc/16/37/70/371163770.db2.gz OHXLNPDJVVMJJM-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP CCCCOC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248129994 371163773 /nfs/dbraw/zinc/16/37/73/371163773.db2.gz OHXLNPDJVVMJJM-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)C[N@@H+](C)CCCNCc1ccc(CO)cc1 ZINC000639289195 371191638 /nfs/dbraw/zinc/19/16/38/371191638.db2.gz KYKOGRXOSMHFBY-UHFFFAOYSA-N 2 1 264.413 2.246 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(CO)cc1 ZINC000639289195 371191644 /nfs/dbraw/zinc/19/16/44/371191644.db2.gz KYKOGRXOSMHFBY-UHFFFAOYSA-N 2 1 264.413 2.246 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(CO)cc1 ZINC000639289195 371191649 /nfs/dbraw/zinc/19/16/49/371191649.db2.gz KYKOGRXOSMHFBY-UHFFFAOYSA-N 2 1 264.413 2.246 20 0 CEADMP CC[C@@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248428755 371192942 /nfs/dbraw/zinc/19/29/42/371192942.db2.gz AVZBIKQNTFHFHA-RHSMWYFYSA-N 2 1 276.424 2.389 20 0 CEADMP CC[C@H](C)[C@@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)OC ZINC000639334242 371242747 /nfs/dbraw/zinc/24/27/47/371242747.db2.gz AZERWNQAWFREDN-HRCADAONSA-N 2 1 286.460 2.090 20 0 CEADMP CC(C)C1(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000639335123 371244445 /nfs/dbraw/zinc/24/44/45/371244445.db2.gz MPDWJCJPLRKZBF-HNNXBMFYSA-N 2 1 268.445 2.465 20 0 CEADMP O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639335856 371246715 /nfs/dbraw/zinc/24/67/15/371246715.db2.gz YJUPAHYVZOCZOE-AHCXZYCDSA-N 2 1 286.419 2.467 20 0 CEADMP O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639335856 371246720 /nfs/dbraw/zinc/24/67/20/371246720.db2.gz YJUPAHYVZOCZOE-AHCXZYCDSA-N 2 1 286.419 2.467 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000248831377 371251122 /nfs/dbraw/zinc/25/11/22/371251122.db2.gz FHSOMOXRSNFPGS-XFIYOXNOSA-N 2 1 268.445 2.367 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000248831377 371251124 /nfs/dbraw/zinc/25/11/24/371251124.db2.gz FHSOMOXRSNFPGS-XFIYOXNOSA-N 2 1 268.445 2.367 20 0 CEADMP CCN(C)c1ccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000248837822 371254158 /nfs/dbraw/zinc/25/41/58/371254158.db2.gz KLMSOUMTGJFINE-HOCLYGCPSA-N 2 1 290.455 2.452 20 0 CEADMP CCN(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000248837822 371254161 /nfs/dbraw/zinc/25/41/61/371254161.db2.gz KLMSOUMTGJFINE-HOCLYGCPSA-N 2 1 290.455 2.452 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000250595073 371387867 /nfs/dbraw/zinc/38/78/67/371387867.db2.gz ILYPZJFLMJJOOU-PBHICJAKSA-N 2 1 258.409 2.475 20 0 CEADMP CC(C)CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250609302 371387982 /nfs/dbraw/zinc/38/79/82/371387982.db2.gz YMEQHIKLXRTZMF-HZPDHXFCSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250888522 371393561 /nfs/dbraw/zinc/39/35/61/371393561.db2.gz JZDPCZPEFUWJDK-UBHSHLNASA-N 2 1 262.401 2.006 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250888522 371393565 /nfs/dbraw/zinc/39/35/65/371393565.db2.gz JZDPCZPEFUWJDK-UBHSHLNASA-N 2 1 262.401 2.006 20 0 CEADMP CC(C)C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000251467011 371402794 /nfs/dbraw/zinc/40/27/94/371402794.db2.gz ZXJYIZLUOHQPHN-HRCADAONSA-N 2 1 267.461 2.179 20 0 CEADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc2c(c1)OCO2 ZINC000359199760 371372223 /nfs/dbraw/zinc/37/22/23/371372223.db2.gz FHWUCYTVKNSPMM-UHFFFAOYSA-N 2 1 276.380 2.237 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cnn(C)c1 ZINC000250036791 371374270 /nfs/dbraw/zinc/37/42/70/371374270.db2.gz BBRCCYXFCUVZKU-ZIAGYGMSSA-N 2 1 264.417 2.335 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cnn(C)c1 ZINC000250036791 371374275 /nfs/dbraw/zinc/37/42/75/371374275.db2.gz BBRCCYXFCUVZKU-ZIAGYGMSSA-N 2 1 264.417 2.335 20 0 CEADMP CCc1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000250268123 371380904 /nfs/dbraw/zinc/38/09/04/371380904.db2.gz LCHKHSIAVPJOMA-RYUDHWBXSA-N 2 1 265.426 2.422 20 0 CEADMP CCc1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000250268123 371380909 /nfs/dbraw/zinc/38/09/09/371380909.db2.gz LCHKHSIAVPJOMA-RYUDHWBXSA-N 2 1 265.426 2.422 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@H](C(C)C)C2)C1 ZINC000250378946 371383271 /nfs/dbraw/zinc/38/32/71/371383271.db2.gz WQWLFYAALUCQIE-ILXRZTDVSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCC2CC[NH2+]CC2)CC1 ZINC000359222049 371383540 /nfs/dbraw/zinc/38/35/40/371383540.db2.gz PLPPKDRJWWWWQY-UHFFFAOYSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)N1CCC([N@H+](C)CCC2CC[NH2+]CC2)CC1 ZINC000359222049 371383545 /nfs/dbraw/zinc/38/35/45/371383545.db2.gz PLPPKDRJWWWWQY-UHFFFAOYSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)N1CCC([N@@H+](C)CCC2CC[NH2+]CC2)CC1 ZINC000359222049 371383552 /nfs/dbraw/zinc/38/35/52/371383552.db2.gz PLPPKDRJWWWWQY-UHFFFAOYSA-N 2 1 267.461 2.181 20 0 CEADMP COC1(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000359749335 371483184 /nfs/dbraw/zinc/48/31/84/371483184.db2.gz UTFMHSIEFLUERR-IYBDPMFKSA-N 2 1 298.471 2.425 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000252127262 371431492 /nfs/dbraw/zinc/43/14/92/371431492.db2.gz LOFKQHDQVFWKFA-WRQOLXDDSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCN1C ZINC000252127262 371431499 /nfs/dbraw/zinc/43/14/99/371431499.db2.gz LOFKQHDQVFWKFA-WRQOLXDDSA-N 3 1 279.472 2.370 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000252127262 371431504 /nfs/dbraw/zinc/43/15/04/371431504.db2.gz LOFKQHDQVFWKFA-WRQOLXDDSA-N 3 1 279.472 2.370 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000252127262 371431509 /nfs/dbraw/zinc/43/15/09/371431509.db2.gz LOFKQHDQVFWKFA-WRQOLXDDSA-N 3 1 279.472 2.370 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000359517713 371466747 /nfs/dbraw/zinc/46/67/47/371466747.db2.gz OSGVWDXLPLVDFL-TZMCWYRMSA-N 2 1 267.461 2.225 20 0 CEADMP CCN1C[C@@H](C)[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000359517713 371466749 /nfs/dbraw/zinc/46/67/49/371466749.db2.gz OSGVWDXLPLVDFL-TZMCWYRMSA-N 2 1 267.461 2.225 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000252675413 371468048 /nfs/dbraw/zinc/46/80/48/371468048.db2.gz ZOIHQQUIIAAJNV-CABCVRRESA-N 2 1 290.407 2.420 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000252675413 371468052 /nfs/dbraw/zinc/46/80/52/371468052.db2.gz ZOIHQQUIIAAJNV-CABCVRRESA-N 2 1 290.407 2.420 20 0 CEADMP CC[C@@H](C)[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccco1 ZINC000359563091 371471644 /nfs/dbraw/zinc/47/16/44/371471644.db2.gz SEAYMVJTZBQNSV-ZIAGYGMSSA-N 2 1 295.427 2.165 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)CC3CCCC3)C2)CC1 ZINC000639756492 371547229 /nfs/dbraw/zinc/54/72/29/371547229.db2.gz VZCSYHNXFIELEX-INIZCTEOSA-N 2 1 280.456 2.345 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)nc1 ZINC000639758409 371547690 /nfs/dbraw/zinc/54/76/90/371547690.db2.gz SHCBNQLFOKKYKM-UHFFFAOYSA-N 2 1 259.397 2.308 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000639762153 371550580 /nfs/dbraw/zinc/55/05/80/371550580.db2.gz HBTSLVZWNOWTIT-GOSISDBHSA-N 2 1 288.435 2.064 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000639762153 371550583 /nfs/dbraw/zinc/55/05/83/371550583.db2.gz HBTSLVZWNOWTIT-GOSISDBHSA-N 2 1 288.435 2.064 20 0 CEADMP COC(C)(C)CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683522 371492855 /nfs/dbraw/zinc/49/28/55/371492855.db2.gz JATJNWFXHMONQC-UHFFFAOYSA-N 2 1 277.412 2.409 20 0 CEADMP C[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000253177970 371499575 /nfs/dbraw/zinc/49/95/75/371499575.db2.gz BIKGQGAKEYXLMD-CHWSQXEVSA-N 2 1 266.360 2.121 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCCC2 ZINC000361011807 371596995 /nfs/dbraw/zinc/59/69/95/371596995.db2.gz VTCRMLRYYKYHHU-KBPBESRZSA-N 2 1 288.439 2.015 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCCC2 ZINC000361011807 371597004 /nfs/dbraw/zinc/59/70/04/371597004.db2.gz VTCRMLRYYKYHHU-KBPBESRZSA-N 2 1 288.439 2.015 20 0 CEADMP CC[NH+](CC)[C@H](CNC1=[NH+]CCCN1)c1ccccc1 ZINC000261705663 371707014 /nfs/dbraw/zinc/70/70/14/371707014.db2.gz DAINTEJTNOUIED-OAHLLOKOSA-N 2 1 274.412 2.008 20 0 CEADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000261719450 371711125 /nfs/dbraw/zinc/71/11/25/371711125.db2.gz KCVABNZIZSMXID-TYNCELHUSA-N 2 1 278.396 2.352 20 0 CEADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261762820 371724487 /nfs/dbraw/zinc/72/44/87/371724487.db2.gz NWAVGAYUFCOGPE-CZUORRHYSA-N 2 1 293.842 2.381 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@H]21 ZINC000261813915 371739956 /nfs/dbraw/zinc/73/99/56/371739956.db2.gz AGBNRUCEIASUSM-CGTJXYLNSA-N 2 1 296.418 2.432 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1(C)C ZINC000361235935 371729489 /nfs/dbraw/zinc/72/94/89/371729489.db2.gz GCQAHAXHZVUDSK-HUUCEWRRSA-N 2 1 266.429 2.430 20 0 CEADMP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261780706 371730334 /nfs/dbraw/zinc/73/03/34/371730334.db2.gz WUZYVNMKGOHTCO-OCCSQVGLSA-N 2 1 295.377 2.005 20 0 CEADMP CCC1([NH+](C)C)CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000640016311 371736089 /nfs/dbraw/zinc/73/60/89/371736089.db2.gz XYWCJNLUIOMHIM-CYBMUJFWSA-N 2 1 254.418 2.360 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639936922 371686196 /nfs/dbraw/zinc/68/61/96/371686196.db2.gz LKGRFICCSCEKQY-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639936922 371686201 /nfs/dbraw/zinc/68/62/01/371686201.db2.gz LKGRFICCSCEKQY-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639936922 371686204 /nfs/dbraw/zinc/68/62/04/371686204.db2.gz LKGRFICCSCEKQY-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000361316146 371776483 /nfs/dbraw/zinc/77/64/83/371776483.db2.gz OWKUGGWANKBBHY-HNNXBMFYSA-N 2 1 256.434 2.246 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000261939467 371779521 /nfs/dbraw/zinc/77/95/21/371779521.db2.gz MLYLXYBBQNPMJX-STQMWFEESA-N 2 1 250.361 2.471 20 0 CEADMP CN(C)c1cccc(C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261968558 371786207 /nfs/dbraw/zinc/78/62/07/371786207.db2.gz HYNVTAYJFGVFKI-INIZCTEOSA-N 2 1 261.413 2.184 20 0 CEADMP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261975331 371788714 /nfs/dbraw/zinc/78/87/14/371788714.db2.gz ISAKUHCBFVPRHQ-OUAUKWLOSA-N 2 1 250.308 2.259 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccoc2)CC1 ZINC000337337527 214014757 /nfs/dbraw/zinc/01/47/57/214014757.db2.gz OVEGZRYCNLEOJO-UHFFFAOYSA-N 2 1 279.428 2.128 20 0 CEADMP c1ccc2nc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)ccc2c1 ZINC000261816213 371742551 /nfs/dbraw/zinc/74/25/51/371742551.db2.gz SVQWGOYJTKZJJG-HOCLYGCPSA-N 2 1 267.376 2.419 20 0 CEADMP c1ccc2nc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)ccc2c1 ZINC000261816213 371742554 /nfs/dbraw/zinc/74/25/54/371742554.db2.gz SVQWGOYJTKZJJG-HOCLYGCPSA-N 2 1 267.376 2.419 20 0 CEADMP [NH3+]C1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000262151684 371831421 /nfs/dbraw/zinc/83/14/21/371831421.db2.gz RHRNCGWVWCHREG-KRWDZBQOSA-N 2 1 290.407 2.168 20 0 CEADMP C[C@@H]1CCC[C@H](C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000262118847 371825163 /nfs/dbraw/zinc/82/51/63/371825163.db2.gz XCNJBGDVSYQFMF-OWCLPIDISA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262440243 371862725 /nfs/dbraw/zinc/86/27/25/371862725.db2.gz SRXJCMKRDPYXSE-PMPSAXMXSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3ccnc3)c2)CC[N@H+]1C ZINC000361483333 371869039 /nfs/dbraw/zinc/86/90/39/371869039.db2.gz DGYNHIDQRXCTLO-HOCLYGCPSA-N 3 1 284.407 2.445 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3ccnc3)c2)CCN1C ZINC000361483333 371869045 /nfs/dbraw/zinc/86/90/45/371869045.db2.gz DGYNHIDQRXCTLO-HOCLYGCPSA-N 3 1 284.407 2.445 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(-n2ccnc2)c1 ZINC000361493158 371875903 /nfs/dbraw/zinc/87/59/03/371875903.db2.gz QEKVSEOEGTUKLM-WMLDXEAASA-N 2 1 284.407 2.302 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(-n2ccnc2)c1 ZINC000361493159 371876020 /nfs/dbraw/zinc/87/60/20/371876020.db2.gz QEKVSEOEGTUKLM-YOEHRIQHSA-N 2 1 284.407 2.302 20 0 CEADMP CCc1nc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000262201708 371837613 /nfs/dbraw/zinc/83/76/13/371837613.db2.gz KMAOQCWTVSKDQD-CMPLNLGQSA-N 2 1 253.415 2.313 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCC2CC[NH2+]CC2)C[C@H]1C ZINC000262972054 371925573 /nfs/dbraw/zinc/92/55/73/371925573.db2.gz LWYJWZQGKYGILI-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](CCOC(C)(C)C)CCN1CC[NH+](CC)CC1 ZINC000344148461 217074393 /nfs/dbraw/zinc/07/43/93/217074393.db2.gz QYCZZEBGKJFCPG-UHFFFAOYSA-N 2 1 299.503 2.151 20 0 CEADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000344156536 217076637 /nfs/dbraw/zinc/07/66/37/217076637.db2.gz AFMYHTANUJNVLC-UONOGXRCSA-N 2 1 265.401 2.375 20 0 CEADMP CO[C@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000361749625 372052629 /nfs/dbraw/zinc/05/26/29/372052629.db2.gz KWOFXHHJTOULOD-KGLIPLIRSA-N 2 1 251.374 2.129 20 0 CEADMP C[C@@H](O)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000346849201 296180386 /nfs/dbraw/zinc/18/03/86/296180386.db2.gz RTXSTYUBGXCZDY-KGLIPLIRSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000361876793 372111720 /nfs/dbraw/zinc/11/17/20/372111720.db2.gz GUTJRPXFMXGKDZ-MAUKXSAKSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000361876793 372111722 /nfs/dbraw/zinc/11/17/22/372111722.db2.gz GUTJRPXFMXGKDZ-MAUKXSAKSA-N 2 1 288.435 2.402 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000344205597 217098290 /nfs/dbraw/zinc/09/82/90/217098290.db2.gz QFZKGUIQFRBREM-HRCADAONSA-N 2 1 297.487 2.486 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccs1 ZINC000268821771 372240397 /nfs/dbraw/zinc/24/03/97/372240397.db2.gz HTWAXYYBPLVNEP-GFCCVEGCSA-N 2 1 268.426 2.246 20 0 CEADMP COCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268719860 372194203 /nfs/dbraw/zinc/19/42/03/372194203.db2.gz OBUJBQHXOLMTQL-HOCLYGCPSA-N 2 1 262.397 2.133 20 0 CEADMP COCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268719860 372194207 /nfs/dbraw/zinc/19/42/07/372194207.db2.gz OBUJBQHXOLMTQL-HOCLYGCPSA-N 2 1 262.397 2.133 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccn(-c3ccccc3)n2)CC[N@H+]1C ZINC000268864388 372261322 /nfs/dbraw/zinc/26/13/22/372261322.db2.gz SGOBMKCHDHZHDI-WBVHZDCISA-N 2 1 298.434 2.487 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCn2cnc3ccccc32)CC[N@H+]1C ZINC000268880629 372268806 /nfs/dbraw/zinc/26/88/06/372268806.db2.gz ZTHCWEXIOROZMO-KGLIPLIRSA-N 2 1 272.396 2.109 20 0 CEADMP C[N@H+](Cc1cccc2nsnc21)C[C@@H]1CCC[NH+](C)C1 ZINC000268987772 372308234 /nfs/dbraw/zinc/30/82/34/372308234.db2.gz FXSSNBHCUSVXGL-GFCCVEGCSA-N 2 1 290.436 2.465 20 0 CEADMP C[NH+](Cc1cccc2nsnc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000268987772 372308241 /nfs/dbraw/zinc/30/82/41/372308241.db2.gz FXSSNBHCUSVXGL-GFCCVEGCSA-N 2 1 290.436 2.465 20 0 CEADMP C[NH+](Cc1cccc2nsnc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000268987772 372308248 /nfs/dbraw/zinc/30/82/48/372308248.db2.gz FXSSNBHCUSVXGL-GFCCVEGCSA-N 2 1 290.436 2.465 20 0 CEADMP C[C@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000269040823 372322743 /nfs/dbraw/zinc/32/27/43/372322743.db2.gz VGGUNTFXJVBQIG-UXLLHSPISA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269040823 372322744 /nfs/dbraw/zinc/32/27/44/372322744.db2.gz VGGUNTFXJVBQIG-UXLLHSPISA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000362746971 372511662 /nfs/dbraw/zinc/51/16/62/372511662.db2.gz XASBFTOXLJCMCV-BXUZGUMPSA-N 2 1 284.363 2.213 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccncc2N)C1 ZINC000641707203 372642435 /nfs/dbraw/zinc/64/24/35/372642435.db2.gz CAEHSZJUUODGEE-ZIAGYGMSSA-N 2 1 276.428 2.121 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641710553 372645782 /nfs/dbraw/zinc/64/57/82/372645782.db2.gz XRCWZIGQEDKDJU-CYBMUJFWSA-N 2 1 288.395 2.090 20 0 CEADMP CSc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)o1 ZINC000641717929 372654075 /nfs/dbraw/zinc/65/40/75/372654075.db2.gz RYRBMOCZRGSJGW-UHFFFAOYSA-N 2 1 297.468 2.119 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cccc2c1CCC2 ZINC000641770100 372712305 /nfs/dbraw/zinc/71/23/05/372712305.db2.gz JPDPQZNDKBTPRY-QGZVFWFLSA-N 2 1 290.451 2.358 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccccc1C ZINC000641772577 372716131 /nfs/dbraw/zinc/71/61/31/372716131.db2.gz ROZITZCXPRVCKF-MRXNPFEDSA-N 2 1 264.413 2.177 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000641798630 372740127 /nfs/dbraw/zinc/74/01/27/372740127.db2.gz OUXNKEVSBTUWBL-QWRGUYRKSA-N 2 1 261.394 2.465 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000641798630 372740134 /nfs/dbraw/zinc/74/01/34/372740134.db2.gz OUXNKEVSBTUWBL-QWRGUYRKSA-N 2 1 261.394 2.465 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nsc2ccccc21 ZINC000641799623 372740616 /nfs/dbraw/zinc/74/06/16/372740616.db2.gz YLEJLSKZJJNXSM-WDEREUQCSA-N 2 1 261.394 2.465 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nsc2ccccc21 ZINC000641799623 372740625 /nfs/dbraw/zinc/74/06/25/372740625.db2.gz YLEJLSKZJJNXSM-WDEREUQCSA-N 2 1 261.394 2.465 20 0 CEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000641803093 372748915 /nfs/dbraw/zinc/74/89/15/372748915.db2.gz DPJNQFMMWNYFQB-GJZGRUSLSA-N 2 1 270.380 2.088 20 0 CEADMP Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641806388 372751697 /nfs/dbraw/zinc/75/16/97/372751697.db2.gz RKUMRPKOYIHUNY-UBHSHLNASA-N 2 1 275.396 2.037 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1C ZINC000641809292 372756765 /nfs/dbraw/zinc/75/67/65/372756765.db2.gz VTTZPDHMPYDGLF-CFVMTHIKSA-N 2 1 289.423 2.346 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH2+][C@H]1CC ZINC000353433869 220079713 /nfs/dbraw/zinc/07/97/13/220079713.db2.gz VFGWFWXUKAPIEB-PMPSAXMXSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000641823582 372767198 /nfs/dbraw/zinc/76/71/98/372767198.db2.gz SENRLMOOFIRMFP-MWLCHTKSSA-N 2 1 284.306 2.320 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000641823582 372767209 /nfs/dbraw/zinc/76/72/09/372767209.db2.gz SENRLMOOFIRMFP-MWLCHTKSSA-N 2 1 284.306 2.320 20 0 CEADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc(C(N)=O)c1 ZINC000270517704 372822338 /nfs/dbraw/zinc/82/23/38/372822338.db2.gz BWJPPJLUMGIFIQ-UHFFFAOYSA-N 2 1 289.423 2.093 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(C(N)=O)c1 ZINC000270517704 372822344 /nfs/dbraw/zinc/82/23/44/372822344.db2.gz BWJPPJLUMGIFIQ-UHFFFAOYSA-N 2 1 289.423 2.093 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344639899 217259062 /nfs/dbraw/zinc/25/90/62/217259062.db2.gz HQUQABFUSMSWAX-KGLIPLIRSA-N 2 1 297.487 2.390 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000270600895 372862893 /nfs/dbraw/zinc/86/28/93/372862893.db2.gz GTPNBLMRJVNPTN-MRXNPFEDSA-N 2 1 299.422 2.411 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000270600895 372862898 /nfs/dbraw/zinc/86/28/98/372862898.db2.gz GTPNBLMRJVNPTN-MRXNPFEDSA-N 2 1 299.422 2.411 20 0 CEADMP Cc1cc(N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc(C)[nH+]1 ZINC000643044018 372932955 /nfs/dbraw/zinc/93/29/55/372932955.db2.gz MBLSTXZCOSIRRW-HUUCEWRRSA-N 2 1 274.412 2.309 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000353501241 220121262 /nfs/dbraw/zinc/12/12/62/220121262.db2.gz LUSXUIYUQCAGBA-LSDHHAIUSA-N 2 1 283.460 2.144 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353520435 220135908 /nfs/dbraw/zinc/13/59/08/220135908.db2.gz OSPMTOICCURIKS-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353520435 220135910 /nfs/dbraw/zinc/13/59/10/220135910.db2.gz OSPMTOICCURIKS-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353520435 220135911 /nfs/dbraw/zinc/13/59/11/220135911.db2.gz OSPMTOICCURIKS-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000366732398 373115274 /nfs/dbraw/zinc/11/52/74/373115274.db2.gz WUTFLIIJQPZURL-QWHCGFSZSA-N 2 1 293.411 2.155 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnc3ccccn23)C[C@@H]1C[NH3+] ZINC000643427596 373115470 /nfs/dbraw/zinc/11/54/70/373115470.db2.gz KLQBRKIYSUVSCU-MCIONIFRSA-N 2 1 272.396 2.140 20 0 CEADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 ZINC000643502379 373162478 /nfs/dbraw/zinc/16/24/78/373162478.db2.gz FACNESKRSRWNBY-QLFBSQMISA-N 2 1 276.428 2.178 20 0 CEADMP C[C@H](CCc1ccc(F)cc1)[NH2+]CC[NH2+]C1CC1 ZINC000643506130 373164324 /nfs/dbraw/zinc/16/43/24/373164324.db2.gz LJGGULOFISYMML-GFCCVEGCSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC[NH2+]C2CC2)C1 ZINC000643506475 373166201 /nfs/dbraw/zinc/16/62/01/373166201.db2.gz YCYXANOVKBPIJO-YOEHRIQHSA-N 2 1 273.424 2.164 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC[NH2+]C2CC2)C1 ZINC000643506473 373166819 /nfs/dbraw/zinc/16/68/19/373166819.db2.gz YCYXANOVKBPIJO-RHSMWYFYSA-N 2 1 273.424 2.164 20 0 CEADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367631805 373167680 /nfs/dbraw/zinc/16/76/80/373167680.db2.gz FOWQATDRXLYKQW-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367631805 373167685 /nfs/dbraw/zinc/16/76/85/373167685.db2.gz FOWQATDRXLYKQW-OAGGEKHMSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367631805 373167689 /nfs/dbraw/zinc/16/76/89/373167689.db2.gz FOWQATDRXLYKQW-OAGGEKHMSA-N 3 1 267.461 2.181 20 0 CEADMP CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)CCO2 ZINC000643482351 373148383 /nfs/dbraw/zinc/14/83/83/373148383.db2.gz AKXJHYLSPJHJPY-ABAIWWIYSA-N 2 1 276.380 2.106 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000643483925 373149443 /nfs/dbraw/zinc/14/94/43/373149443.db2.gz RAGPYPAAYIMGLF-IINYFYTJSA-N 2 1 254.324 2.095 20 0 CEADMP C[C@H](CCO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272453563 373492280 /nfs/dbraw/zinc/49/22/80/373492280.db2.gz GLDMZGZULRTWIK-INMHGKMJSA-N 2 1 276.424 2.258 20 0 CEADMP CC(C)[C@@H](C)C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644572766 373539590 /nfs/dbraw/zinc/53/95/90/373539590.db2.gz JYEJGNGSNWUFEG-RDJZCZTQSA-N 2 1 278.440 2.361 20 0 CEADMP CC(C)[C@@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644572766 373539597 /nfs/dbraw/zinc/53/95/97/373539597.db2.gz JYEJGNGSNWUFEG-RDJZCZTQSA-N 2 1 278.440 2.361 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000644609033 373557738 /nfs/dbraw/zinc/55/77/38/373557738.db2.gz MUVFVMPAMWFEHA-PBHICJAKSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000644609033 373557744 /nfs/dbraw/zinc/55/77/44/373557744.db2.gz MUVFVMPAMWFEHA-PBHICJAKSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272575777 373560206 /nfs/dbraw/zinc/56/02/06/373560206.db2.gz IXGZKJBRSMJQIQ-BHYGNILZSA-N 2 1 276.424 2.258 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(C(F)F)CC1 ZINC000644635845 373575503 /nfs/dbraw/zinc/57/55/03/373575503.db2.gz DDGDOLUMSVWBBU-AWEZNQCLSA-N 2 1 298.377 2.114 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(C(F)F)CC1 ZINC000644635845 373575510 /nfs/dbraw/zinc/57/55/10/373575510.db2.gz DDGDOLUMSVWBBU-AWEZNQCLSA-N 2 1 298.377 2.114 20 0 CEADMP C[C@@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000370526288 373676170 /nfs/dbraw/zinc/67/61/70/373676170.db2.gz CUTHPQIUPYWJSG-FVPDABNVSA-N 2 1 266.429 2.406 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(c2cccc(-n3ccnc3C)n2)C1 ZINC000370608824 373695673 /nfs/dbraw/zinc/69/56/73/373695673.db2.gz QPDFWZPTJAIWLT-HNNXBMFYSA-N 2 1 299.422 2.354 20 0 CEADMP CC[N@H+](C)C[C@@H]1CCN(c2cccc(-n3cc[nH+]c3C)n2)C1 ZINC000370608824 373695683 /nfs/dbraw/zinc/69/56/83/373695683.db2.gz QPDFWZPTJAIWLT-HNNXBMFYSA-N 2 1 299.422 2.354 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(c2cccc(-n3cc[nH+]c3C)n2)C1 ZINC000370608824 373695690 /nfs/dbraw/zinc/69/56/90/373695690.db2.gz QPDFWZPTJAIWLT-HNNXBMFYSA-N 2 1 299.422 2.354 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(-n3ccnc3)c2)[C@H](C)C1 ZINC000370650862 373706636 /nfs/dbraw/zinc/70/66/36/373706636.db2.gz GQOCYMHSXHEPGT-GDBMZVCRSA-N 2 1 299.422 2.087 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@H](C)CC[NH+](C)C)c2c1C ZINC000645139870 373873507 /nfs/dbraw/zinc/87/35/07/373873507.db2.gz CPEMOQFTFYWPHM-SECBINFHSA-N 2 1 261.373 2.327 20 0 CEADMP Cc1nccn1CCC[N@H+](C)Cc1cn(C)nc1C(F)F ZINC000274502107 373945138 /nfs/dbraw/zinc/94/51/38/373945138.db2.gz RWMPCVJGYSJCCP-UHFFFAOYSA-N 2 1 297.353 2.385 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(C)nc1C(F)F ZINC000274502107 373945142 /nfs/dbraw/zinc/94/51/42/373945142.db2.gz RWMPCVJGYSJCCP-UHFFFAOYSA-N 2 1 297.353 2.385 20 0 CEADMP Cn1cncc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000371725369 373959545 /nfs/dbraw/zinc/95/95/45/373959545.db2.gz WBPLIDGSZCSVDW-RDJZCZTQSA-N 2 1 284.407 2.203 20 0 CEADMP Cn1cncc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000371725369 373959550 /nfs/dbraw/zinc/95/95/50/373959550.db2.gz WBPLIDGSZCSVDW-RDJZCZTQSA-N 2 1 284.407 2.203 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000372069137 374037411 /nfs/dbraw/zinc/03/74/11/374037411.db2.gz WMZQJWISTRQNGX-SJORKVTESA-N 2 1 289.423 2.442 20 0 CEADMP C[C@H](CCC1CC1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000373238821 374304129 /nfs/dbraw/zinc/30/41/29/374304129.db2.gz HVWQGRPLAIVSBA-YUELXQCFSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H](CCC1CC1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000373238821 374304133 /nfs/dbraw/zinc/30/41/33/374304133.db2.gz HVWQGRPLAIVSBA-YUELXQCFSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)CC1 ZINC000277235933 374447620 /nfs/dbraw/zinc/44/76/20/374447620.db2.gz PCDQLHTVZQPZJI-CVEARBPZSA-N 2 1 262.397 2.136 20 0 CEADMP C([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCSC1 ZINC000373911976 374447807 /nfs/dbraw/zinc/44/78/07/374447807.db2.gz OQYSNARDLSYZSE-STQMWFEESA-N 2 1 254.443 2.346 20 0 CEADMP C([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCSC1 ZINC000373911976 374447813 /nfs/dbraw/zinc/44/78/13/374447813.db2.gz OQYSNARDLSYZSE-STQMWFEESA-N 2 1 254.443 2.346 20 0 CEADMP C[C@H]1CCC[N@H+]1C1CCN(C[C@@](C)(O)C(F)(F)F)CC1 ZINC000373950973 374455629 /nfs/dbraw/zinc/45/56/29/374455629.db2.gz PEGQJPBYVWPSLR-WCQYABFASA-N 2 1 294.361 2.248 20 0 CEADMP CO[C@@H](C)[C@H](C)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000374578589 374605122 /nfs/dbraw/zinc/60/51/22/374605122.db2.gz WBIGFIKZJHWMEJ-KBPBESRZSA-N 2 1 277.412 2.372 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000334232375 206229068 /nfs/dbraw/zinc/22/90/68/206229068.db2.gz MUUSNGIRQFGYNO-SUMWQHHRSA-N 2 1 258.409 2.331 20 0 CEADMP CCn1nccc1CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374849336 374633830 /nfs/dbraw/zinc/63/38/30/374633830.db2.gz CCIYHFBWOPXSQG-UHFFFAOYSA-N 2 1 290.455 2.253 20 0 CEADMP CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000277860827 374669524 /nfs/dbraw/zinc/66/95/24/374669524.db2.gz UDLXMWHUEQDVEW-INIZCTEOSA-N 2 1 293.411 2.389 20 0 CEADMP CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CCn1cc[nH+]c1C ZINC000277860827 374669535 /nfs/dbraw/zinc/66/95/35/374669535.db2.gz UDLXMWHUEQDVEW-INIZCTEOSA-N 2 1 293.411 2.389 20 0 CEADMP CSC1(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000377697589 374926781 /nfs/dbraw/zinc/92/67/81/374926781.db2.gz OCKCAPDSLGJTCP-CYBMUJFWSA-N 2 1 254.443 2.300 20 0 CEADMP Cc1ccncc1CCCN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000377653366 374910217 /nfs/dbraw/zinc/91/02/17/374910217.db2.gz RHAIQUCMUJCONR-QGZVFWFLSA-N 2 1 273.424 2.493 20 0 CEADMP CCOC1CC(C[N@@H+](C)C[C@H]2CCn3ccnc3C2)C1 ZINC000377652559 374910885 /nfs/dbraw/zinc/91/08/85/374910885.db2.gz NNCULUPFTGOBAD-NFOMZHRRSA-N 2 1 277.412 2.192 20 0 CEADMP CCOC1CC(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000377652559 374910892 /nfs/dbraw/zinc/91/08/92/374910892.db2.gz NNCULUPFTGOBAD-NFOMZHRRSA-N 2 1 277.412 2.192 20 0 CEADMP CCOC1CC(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000377652559 374910895 /nfs/dbraw/zinc/91/08/95/374910895.db2.gz NNCULUPFTGOBAD-NFOMZHRRSA-N 2 1 277.412 2.192 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2C)[C@@H]1C ZINC000279811630 374996525 /nfs/dbraw/zinc/99/65/25/374996525.db2.gz FRSOYLHXRXATIM-VHDGCEQUSA-N 2 1 293.411 2.149 20 0 CEADMP C[C@H](CC[NH2+][C@H](C)[C@H](C)O)[N@@H+](C)Cc1ccccc1 ZINC000379651488 375156716 /nfs/dbraw/zinc/15/67/16/375156716.db2.gz UPEHDZZJAOBMHX-KFWWJZLASA-N 2 1 264.413 2.256 20 0 CEADMP CCn1nc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c2ccccc21 ZINC000385807798 375244675 /nfs/dbraw/zinc/24/46/75/375244675.db2.gz NFVVTQQMBHXSNV-CXAGYDPISA-N 2 1 286.423 2.473 20 0 CEADMP CCn1nc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c2ccccc21 ZINC000385807798 375244681 /nfs/dbraw/zinc/24/46/81/375244681.db2.gz NFVVTQQMBHXSNV-CXAGYDPISA-N 2 1 286.423 2.473 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000386139970 375253033 /nfs/dbraw/zinc/25/30/33/375253033.db2.gz NITLTMOYURHCIY-KFWWJZLASA-N 2 1 256.434 2.103 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(F)c1 ZINC000383433760 375202034 /nfs/dbraw/zinc/20/20/34/375202034.db2.gz XLWPUPYDKFZXEM-BETUJISGSA-N 2 1 278.371 2.266 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)[C@H](C)O1 ZINC000384677869 375213901 /nfs/dbraw/zinc/21/39/01/375213901.db2.gz ZTQBFEHUVSGRJU-XGUBFFRZSA-N 2 1 254.418 2.406 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccccc1Cl)C1CC([NH3+])C1 ZINC000384959316 375223055 /nfs/dbraw/zinc/22/30/55/375223055.db2.gz HCWSCXDQBGTKJZ-UHFFFAOYSA-N 2 1 281.787 2.090 20 0 CEADMP COc1ccc(F)cc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000388963520 375296162 /nfs/dbraw/zinc/29/61/62/375296162.db2.gz NLWONLSGAZGLHV-GFCCVEGCSA-N 2 1 266.360 2.266 20 0 CEADMP C[C@H](C[N@H+](C)C[C@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000399510783 375365009 /nfs/dbraw/zinc/36/50/09/375365009.db2.gz NCZDMPOKUFYOJD-OCCSQVGLSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000399510783 375365019 /nfs/dbraw/zinc/36/50/19/375365019.db2.gz NCZDMPOKUFYOJD-OCCSQVGLSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@H](C[NH+](C)C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000399510783 375365026 /nfs/dbraw/zinc/36/50/26/375365026.db2.gz NCZDMPOKUFYOJD-OCCSQVGLSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@H](C[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000399510783 375365035 /nfs/dbraw/zinc/36/50/35/375365035.db2.gz NCZDMPOKUFYOJD-OCCSQVGLSA-N 2 1 256.434 2.056 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000282488055 375497184 /nfs/dbraw/zinc/49/71/84/375497184.db2.gz QVHQWZOCTMLLQZ-DJIMGWMZSA-N 2 1 276.424 2.409 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000412415944 375552028 /nfs/dbraw/zinc/55/20/28/375552028.db2.gz IJIZUNIHFZIBEI-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCC[C@@H](CCNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000412415944 375552036 /nfs/dbraw/zinc/55/20/36/375552036.db2.gz IJIZUNIHFZIBEI-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCC[C@@H](CCNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000412415944 375552046 /nfs/dbraw/zinc/55/20/46/375552046.db2.gz IJIZUNIHFZIBEI-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CS1 ZINC000414234073 375804238 /nfs/dbraw/zinc/80/42/38/375804238.db2.gz SGVHXEPNXPVHLE-ITGHMWBKSA-N 2 1 254.443 2.343 20 0 CEADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000414280802 375818664 /nfs/dbraw/zinc/81/86/64/375818664.db2.gz ADGPISHXOYQBFS-XIRDDKMYSA-N 2 1 292.398 2.118 20 0 CEADMP CC(C)(C)[NH2+]CCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000414674626 375911486 /nfs/dbraw/zinc/91/14/86/375911486.db2.gz KVYFTPIQLPMOLU-UHFFFAOYSA-N 2 1 293.430 2.331 20 0 CEADMP COc1cc(C[N@H+](C)C2CC([NH3+])C2)cc(Cl)c1OC ZINC000414776260 375960972 /nfs/dbraw/zinc/96/09/72/375960972.db2.gz NALGDWAXDSVGPH-UHFFFAOYSA-N 2 1 284.787 2.279 20 0 CEADMP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)cc(Cl)c1OC ZINC000414776260 375960976 /nfs/dbraw/zinc/96/09/76/375960976.db2.gz NALGDWAXDSVGPH-UHFFFAOYSA-N 2 1 284.787 2.279 20 0 CEADMP C[C@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414782283 375965367 /nfs/dbraw/zinc/96/53/67/375965367.db2.gz OIBNRYOIPVETRX-NVXWUHKLSA-N 2 1 288.435 2.477 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1CC(F)(F)F ZINC000414794507 375977294 /nfs/dbraw/zinc/97/72/94/375977294.db2.gz FVIPLUNPGSLIQM-WDEREUQCSA-N 2 1 290.333 2.053 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000414679978 375915510 /nfs/dbraw/zinc/91/55/10/375915510.db2.gz MOGONITVESPRRX-GXTWGEPZSA-N 2 1 276.380 2.235 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414690781 375921025 /nfs/dbraw/zinc/92/10/25/375921025.db2.gz ILSUPVRDFJSQJL-ARFHVFGLSA-N 2 1 297.487 2.377 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414690781 375921030 /nfs/dbraw/zinc/92/10/30/375921030.db2.gz ILSUPVRDFJSQJL-ARFHVFGLSA-N 2 1 297.487 2.377 20 0 CEADMP Cn1c2ccc(Cl)cc2nc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000414794920 375978712 /nfs/dbraw/zinc/97/87/12/375978712.db2.gz GFYVAQDYERDCEH-JQWIXIFHSA-N 2 1 292.814 2.444 20 0 CEADMP COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414702119 375928157 /nfs/dbraw/zinc/92/81/57/375928157.db2.gz UUNYTBODFMMQDB-DZKIICNBSA-N 2 1 290.407 2.221 20 0 CEADMP COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414702119 375928165 /nfs/dbraw/zinc/92/81/65/375928165.db2.gz UUNYTBODFMMQDB-DZKIICNBSA-N 2 1 290.407 2.221 20 0 CEADMP Cc1ccc(CC[N@@H+](CCC[NH3+])C[C@H]2CCCO2)cc1 ZINC000414712574 375935213 /nfs/dbraw/zinc/93/52/13/375935213.db2.gz UQLKBAIVYLOBLM-QGZVFWFLSA-N 2 1 276.424 2.367 20 0 CEADMP CC(C)N(CC[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000414715575 375937132 /nfs/dbraw/zinc/93/71/32/375937132.db2.gz RCVQRLBTTRUUDL-JKSUJKDBSA-N 2 1 269.477 2.425 20 0 CEADMP CC(C)N(CC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000414715575 375937137 /nfs/dbraw/zinc/93/71/37/375937137.db2.gz RCVQRLBTTRUUDL-JKSUJKDBSA-N 2 1 269.477 2.425 20 0 CEADMP [NH3+]CCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000414735875 375943100 /nfs/dbraw/zinc/94/31/00/375943100.db2.gz CHATZQCJLCBWMK-HNNXBMFYSA-N 2 1 290.411 2.011 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OC)c(F)c1 ZINC000414808447 375994038 /nfs/dbraw/zinc/99/40/38/375994038.db2.gz SWXXVZSZJRLURM-UHFFFAOYSA-N 2 1 254.349 2.441 20 0 CEADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414808714 375995054 /nfs/dbraw/zinc/99/50/54/375995054.db2.gz SRSNLPQXPJVGCQ-ABAIWWIYSA-N 2 1 250.361 2.474 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414816363 376002117 /nfs/dbraw/zinc/00/21/17/376002117.db2.gz PPUIAAMDOGSYLV-CYBMUJFWSA-N 2 1 260.385 2.180 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2[NH2+]CCCC2(C)C)[C@H](C)C1 ZINC000414930619 376013636 /nfs/dbraw/zinc/01/36/36/376013636.db2.gz QDOLTEUITDONBG-QLFBSQMISA-N 2 1 267.461 2.085 20 0 CEADMP c1cc2c(c(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c1)OCO2 ZINC000415033224 376016712 /nfs/dbraw/zinc/01/67/12/376016712.db2.gz BIVRSEYNXUJLAU-DZGCQCFKSA-N 2 1 288.391 2.379 20 0 CEADMP c1cc2c(c(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c1)OCO2 ZINC000415033224 376016719 /nfs/dbraw/zinc/01/67/19/376016719.db2.gz BIVRSEYNXUJLAU-DZGCQCFKSA-N 2 1 288.391 2.379 20 0 CEADMP c1cc2c(c(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c1)OCO2 ZINC000415033235 376016738 /nfs/dbraw/zinc/01/67/38/376016738.db2.gz BIVRSEYNXUJLAU-ZFWWWQNUSA-N 2 1 288.391 2.379 20 0 CEADMP c1cc2c(c(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c1)OCO2 ZINC000415033235 376016743 /nfs/dbraw/zinc/01/67/43/376016743.db2.gz BIVRSEYNXUJLAU-ZFWWWQNUSA-N 2 1 288.391 2.379 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000414800640 375985617 /nfs/dbraw/zinc/98/56/17/375985617.db2.gz SJEORNAPYRKJKG-ZWNOBZJWSA-N 2 1 278.787 2.205 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414802692 375987747 /nfs/dbraw/zinc/98/77/47/375987747.db2.gz LFQVEAGARAAEIB-OAHLLOKOSA-N 2 1 278.396 2.071 20 0 CEADMP C[C@H]1[C@H](NC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000287351625 376213962 /nfs/dbraw/zinc/21/39/62/376213962.db2.gz NMLLAXREMLGMAH-MAUKXSAKSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@H]1[C@H](NC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000287351625 376213969 /nfs/dbraw/zinc/21/39/69/376213969.db2.gz NMLLAXREMLGMAH-MAUKXSAKSA-N 2 1 287.451 2.333 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1O ZINC000289558525 376401335 /nfs/dbraw/zinc/40/13/35/376401335.db2.gz COFPLSBXXVMFJR-LLVKDONJSA-N 2 1 275.352 2.257 20 0 CEADMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1O ZINC000289674808 376441729 /nfs/dbraw/zinc/44/17/29/376441729.db2.gz NSVYTHPVBDHHCA-YIONKMFJSA-N 2 1 290.407 2.458 20 0 CEADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1O ZINC000289674808 376441733 /nfs/dbraw/zinc/44/17/33/376441733.db2.gz NSVYTHPVBDHHCA-YIONKMFJSA-N 2 1 290.407 2.458 20 0 CEADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1O ZINC000289674808 376441739 /nfs/dbraw/zinc/44/17/39/376441739.db2.gz NSVYTHPVBDHHCA-YIONKMFJSA-N 2 1 290.407 2.458 20 0 CEADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1O ZINC000289674808 376441743 /nfs/dbraw/zinc/44/17/43/376441743.db2.gz NSVYTHPVBDHHCA-YIONKMFJSA-N 2 1 290.407 2.458 20 0 CEADMP COc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1O ZINC000289811994 376512045 /nfs/dbraw/zinc/51/20/45/376512045.db2.gz PMOQIFNRDSNMCZ-VXGBXAGGSA-N 2 1 266.385 2.392 20 0 CEADMP CCC[C@@H](C)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000305774103 376485128 /nfs/dbraw/zinc/48/51/28/376485128.db2.gz MFNIXJYKGDBYFF-CQSZACIVSA-N 2 1 256.434 2.201 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000305774503 376485864 /nfs/dbraw/zinc/48/58/64/376485864.db2.gz JFWXYOFMGKFUQT-SJORKVTESA-N 2 1 285.391 2.172 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000305774503 376485869 /nfs/dbraw/zinc/48/58/69/376485869.db2.gz JFWXYOFMGKFUQT-SJORKVTESA-N 2 1 285.391 2.172 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000307758782 376571136 /nfs/dbraw/zinc/57/11/36/376571136.db2.gz PSCZPZGCYPZVAH-KZNAEPCWSA-N 2 1 286.419 2.229 20 0 CEADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000307758782 376571139 /nfs/dbraw/zinc/57/11/39/376571139.db2.gz PSCZPZGCYPZVAH-KZNAEPCWSA-N 2 1 286.419 2.229 20 0 CEADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000307758782 376571142 /nfs/dbraw/zinc/57/11/42/376571142.db2.gz PSCZPZGCYPZVAH-KZNAEPCWSA-N 2 1 286.419 2.229 20 0 CEADMP C[N@H+]1CC=C(C[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000309957151 376609644 /nfs/dbraw/zinc/60/96/44/376609644.db2.gz IYVOMPVVMMPQMO-UHFFFAOYSA-N 2 1 257.790 2.148 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000309957151 376609651 /nfs/dbraw/zinc/60/96/51/376609651.db2.gz IYVOMPVVMMPQMO-UHFFFAOYSA-N 2 1 257.790 2.148 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]CC2Cc3ccccc3C2)CC1 ZINC000558574846 376620189 /nfs/dbraw/zinc/62/01/89/376620189.db2.gz FILJDOYIDKLBGP-UHFFFAOYSA-N 2 1 256.393 2.253 20 0 CEADMP Brc1c[nH+]ccc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310585561 376625871 /nfs/dbraw/zinc/62/58/71/376625871.db2.gz VDFRRWUPPDNWOE-PHIMTYICSA-N 2 1 296.212 2.280 20 0 CEADMP CC(C)CCOCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310768962 376634394 /nfs/dbraw/zinc/63/43/94/376634394.db2.gz OQINNSGQCPPRFJ-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP COc1c(O)cccc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000290316570 376729170 /nfs/dbraw/zinc/72/91/70/376729170.db2.gz CPWYSIYQJDVXQA-UHFFFAOYSA-N 2 1 289.379 2.428 20 0 CEADMP COc1c(O)cccc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000290316570 376729179 /nfs/dbraw/zinc/72/91/79/376729179.db2.gz CPWYSIYQJDVXQA-UHFFFAOYSA-N 2 1 289.379 2.428 20 0 CEADMP COc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)n1 ZINC000290320831 376730994 /nfs/dbraw/zinc/73/09/94/376730994.db2.gz CYOXPQBRPFFGEP-DZGCQCFKSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)n1 ZINC000290320831 376731003 /nfs/dbraw/zinc/73/10/03/376731003.db2.gz CYOXPQBRPFFGEP-DZGCQCFKSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000290320831 376731008 /nfs/dbraw/zinc/73/10/08/376731008.db2.gz CYOXPQBRPFFGEP-DZGCQCFKSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000290320831 376731014 /nfs/dbraw/zinc/73/10/14/376731014.db2.gz CYOXPQBRPFFGEP-DZGCQCFKSA-N 2 1 275.396 2.006 20 0 CEADMP C[C@@H](CC(=O)NCCC[N@H+]1CCCC[C@@H]1C)n1ccnc1 ZINC000560683319 376774676 /nfs/dbraw/zinc/77/46/76/376774676.db2.gz PGAWPCUYNHZZLM-GJZGRUSLSA-N 2 1 292.427 2.215 20 0 CEADMP C[N@@H+](CCCNC(=O)CC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000315210782 376795502 /nfs/dbraw/zinc/79/55/02/376795502.db2.gz MUEZIMRWFAWGOW-OAHLLOKOSA-N 2 1 295.471 2.289 20 0 CEADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C1CC[NH+](C)CC1)CC2 ZINC000280249649 542126349 /nfs/dbraw/zinc/12/63/49/542126349.db2.gz WOOWQPLRSWFNOS-HNNXBMFYSA-N 2 1 290.407 2.375 20 0 CEADMP CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000685438435 542137607 /nfs/dbraw/zinc/13/76/07/542137607.db2.gz CXUCYOFSQPEHCC-WOVMCDHWSA-N 2 1 292.423 2.236 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3c[nH]nc3c2)C1 ZINC000290600930 376849489 /nfs/dbraw/zinc/84/94/89/376849489.db2.gz VWPOQPKEYMGMNC-RDJZCZTQSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3c[nH]nc3c2)C1 ZINC000290600930 376849493 /nfs/dbraw/zinc/84/94/93/376849493.db2.gz VWPOQPKEYMGMNC-RDJZCZTQSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3c[nH]nc3c2)C1 ZINC000290600930 376849496 /nfs/dbraw/zinc/84/94/96/376849496.db2.gz VWPOQPKEYMGMNC-RDJZCZTQSA-N 2 1 284.407 2.479 20 0 CEADMP C[C@@H]([NH2+]CCc1cccc(F)c1F)[C@@H]1CCC[NH2+]1 ZINC000422953658 376879512 /nfs/dbraw/zinc/87/95/12/376879512.db2.gz FZAWBBBWBXKRAR-MFKMUULPSA-N 2 1 254.324 2.237 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000422960975 376886467 /nfs/dbraw/zinc/88/64/67/376886467.db2.gz AHGDQIKEJMSEGZ-LTIDMASMSA-N 2 1 279.472 2.371 20 0 CEADMP O=C(Nc1ccn2ccnc2c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000290713935 376892065 /nfs/dbraw/zinc/89/20/65/376892065.db2.gz OBPBQJBXVJJVAZ-KGLIPLIRSA-N 2 1 299.378 2.083 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000423081872 376973625 /nfs/dbraw/zinc/97/36/25/376973625.db2.gz VWIJMJQKOBZNMV-CABCVRRESA-N 3 1 267.461 2.086 20 0 CEADMP C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000423080010 376974413 /nfs/dbraw/zinc/97/44/13/376974413.db2.gz ZDHIHOXYOUZZIX-SJWGOKEGSA-N 2 1 292.398 2.022 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H]1c1cccc(F)c1 ZINC000562479393 376906989 /nfs/dbraw/zinc/90/69/89/376906989.db2.gz ZROLFODIVHIEOX-CVEARBPZSA-N 2 1 280.387 2.275 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422995996 376911978 /nfs/dbraw/zinc/91/19/78/376911978.db2.gz KUAVTTQQDWPOMZ-IXDOHACOSA-N 2 1 281.488 2.475 20 0 CEADMP CC1=CC[N@@H+](CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000423033773 376941127 /nfs/dbraw/zinc/94/11/27/376941127.db2.gz GWKSTWOIFVXFHJ-IAGOWNOFSA-N 2 1 271.408 2.373 20 0 CEADMP CC[C@H](NCC[N@@H+]1CC=C(C)CC1)[C@H]1CCCC[NH2+]1 ZINC000423036046 376942700 /nfs/dbraw/zinc/94/27/00/376942700.db2.gz KPORRKJDPLPRMI-JKSUJKDBSA-N 2 1 265.445 2.149 20 0 CEADMP Cc1csc([C@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)n1 ZINC000423035725 376942845 /nfs/dbraw/zinc/94/28/45/376942845.db2.gz JVZBSBVSAGOJCJ-JLLWLGSASA-N 2 1 253.415 2.285 20 0 CEADMP CC1=CC[N@@H+](CCN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000423040479 376945485 /nfs/dbraw/zinc/94/54/85/376945485.db2.gz UHALXIKNMGFXLF-AEFFLSMTSA-N 2 1 287.451 2.187 20 0 CEADMP C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1c[nH+]ccc1N ZINC000423056276 376951262 /nfs/dbraw/zinc/95/12/62/376951262.db2.gz XFGLUNWJVCWBDU-GFCCVEGCSA-N 2 1 295.390 2.274 20 0 CEADMP CC[C@@H]([NH2+][C@H](CO)Cc1ccccc1C)[C@@H]1CCC[NH2+]1 ZINC000423057693 376952770 /nfs/dbraw/zinc/95/27/70/376952770.db2.gz HZCPGIFENTVSLU-BBWFWOEESA-N 2 1 276.424 2.019 20 0 CEADMP C[C@@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1C[NH2+]C1 ZINC000423065109 376954404 /nfs/dbraw/zinc/95/44/04/376954404.db2.gz SUKKSDRAGDCSRQ-RDTXWAMCSA-N 2 1 287.451 2.095 20 0 CEADMP CO[C@@H](CC[NH2+][C@@H](C)c1c[nH+]ccc1N)C(F)(F)F ZINC000423066668 376958293 /nfs/dbraw/zinc/95/82/93/376958293.db2.gz FDYOHVQUONTPNK-KWQFWETISA-N 2 1 277.290 2.112 20 0 CEADMP CCNC(=O)C1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CCC1 ZINC000423073149 376964684 /nfs/dbraw/zinc/96/46/84/376964684.db2.gz KSKHUMSLJGEHFT-GJZGRUSLSA-N 2 1 287.407 2.027 20 0 CEADMP C[C@@H](NC[C@H]1CCCC[N@H+]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423075105 376966119 /nfs/dbraw/zinc/96/61/19/376966119.db2.gz NOXWRDHZQYNSHO-FVQBIDKESA-N 2 1 265.445 2.124 20 0 CEADMP CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)[C@@H]1CCC[NH2+]1 ZINC000423074907 376967601 /nfs/dbraw/zinc/96/76/01/376967601.db2.gz NDMCIWQTQROLML-ZJUUUORDSA-N 2 1 286.313 2.024 20 0 CEADMP CC[C@H](NCC[N@H+]1CCCC(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000423078013 376971421 /nfs/dbraw/zinc/97/14/21/376971421.db2.gz VBRLFECZBLSJBA-GJZGRUSLSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H]([NH2+]C[C@H]1COc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000423121881 377018278 /nfs/dbraw/zinc/01/82/78/377018278.db2.gz JMZCLSRVAAQAOU-YDHLFZDLSA-N 2 1 260.381 2.283 20 0 CEADMP Oc1cccnc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000562901371 377018787 /nfs/dbraw/zinc/01/87/87/377018787.db2.gz LCWGCFOLOHKQCP-XJKSGUPXSA-N 2 1 287.407 2.236 20 0 CEADMP Oc1cccnc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000562901371 377018792 /nfs/dbraw/zinc/01/87/92/377018792.db2.gz LCWGCFOLOHKQCP-XJKSGUPXSA-N 2 1 287.407 2.236 20 0 CEADMP Oc1cccnc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000562901371 377018795 /nfs/dbraw/zinc/01/87/95/377018795.db2.gz LCWGCFOLOHKQCP-XJKSGUPXSA-N 2 1 287.407 2.236 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000423122244 377020332 /nfs/dbraw/zinc/02/03/32/377020332.db2.gz BYHUADDHOROEET-VNHYZAJKSA-N 2 1 277.387 2.135 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423141695 377040049 /nfs/dbraw/zinc/04/00/49/377040049.db2.gz RIQAZPZCTSBIQY-SOUVJXGZSA-N 2 1 255.450 2.214 20 0 CEADMP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1ccnc1)C1C[NH2+]C1 ZINC000423145467 377044818 /nfs/dbraw/zinc/04/48/18/377044818.db2.gz KSZZBDWRFLYWKF-NSHDSACASA-N 2 1 290.798 2.223 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423108981 377003498 /nfs/dbraw/zinc/00/34/98/377003498.db2.gz MZFPTTNRELKSHX-KKUMJFAQSA-N 2 1 253.434 2.110 20 0 CEADMP COCCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000423111527 377005255 /nfs/dbraw/zinc/00/52/55/377005255.db2.gz WFIKQZJMIHIHGS-HOTGVXAUSA-N 2 1 278.396 2.071 20 0 CEADMP CC[C@H]([NH2+]C[C@@](C)(CO)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423113646 377008100 /nfs/dbraw/zinc/00/81/00/377008100.db2.gz USDIXZUBIOHMRL-BZSNNMDCSA-N 2 1 290.451 2.447 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000423113017 377008380 /nfs/dbraw/zinc/00/83/80/377008380.db2.gz YBPDOWXSXNXQDK-BLLLJJGKSA-N 2 1 257.381 2.298 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CN(C)C)c1ccc(F)cc1 ZINC000423115539 377009318 /nfs/dbraw/zinc/00/93/18/377009318.db2.gz YEXZDZMIBFCTNG-SLEUVZQESA-N 2 1 267.392 2.144 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000423206498 377121948 /nfs/dbraw/zinc/12/19/48/377121948.db2.gz XDNVBZGCFZTANN-LLVKDONJSA-N 2 1 293.802 2.181 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423158389 377061066 /nfs/dbraw/zinc/06/10/66/377061066.db2.gz WPVJYWRWLPEKPQ-ORQFMDKSSA-N 2 1 289.423 2.422 20 0 CEADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423158972 377062294 /nfs/dbraw/zinc/06/22/94/377062294.db2.gz XOZJMTHPESOXJB-GVRJEKJASA-N 2 1 266.429 2.025 20 0 CEADMP C[C@@H]([C@@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423166699 377072351 /nfs/dbraw/zinc/07/23/51/377072351.db2.gz VUTPNOWDHABXBW-MELADBBJSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@@H]([C@@H]1CCC[NH2+]1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423166699 377072361 /nfs/dbraw/zinc/07/23/61/377072361.db2.gz VUTPNOWDHABXBW-MELADBBJSA-N 2 1 254.443 2.346 20 0 CEADMP Cc1cccc(CC[N@H+](C)CCC[NH+]2CCCC2)n1 ZINC000563052277 377077156 /nfs/dbraw/zinc/07/71/56/377077156.db2.gz IQCBRXSNFSOBME-UHFFFAOYSA-N 2 1 261.413 2.350 20 0 CEADMP Cc1cccc(CC[N@@H+](C)CCC[NH+]2CCCC2)n1 ZINC000563052277 377077163 /nfs/dbraw/zinc/07/71/63/377077163.db2.gz IQCBRXSNFSOBME-UHFFFAOYSA-N 2 1 261.413 2.350 20 0 CEADMP c1[nH+]cn2cc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccc12 ZINC000423170723 377077517 /nfs/dbraw/zinc/07/75/17/377077517.db2.gz MURBOHZJWBFCEY-YESZJQIVSA-N 2 1 284.407 2.345 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423173628 377082199 /nfs/dbraw/zinc/08/21/99/377082199.db2.gz ZLVGNSOBXZDMTK-CGTJXYLNSA-N 3 1 289.467 2.266 20 0 CEADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423173628 377082206 /nfs/dbraw/zinc/08/22/06/377082206.db2.gz ZLVGNSOBXZDMTK-CGTJXYLNSA-N 2 1 289.467 2.266 20 0 CEADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423173628 377082213 /nfs/dbraw/zinc/08/22/13/377082213.db2.gz ZLVGNSOBXZDMTK-CGTJXYLNSA-N 2 1 289.467 2.266 20 0 CEADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC[NH3+])cc1 ZINC000423175787 377084878 /nfs/dbraw/zinc/08/48/78/377084878.db2.gz FCVPMJDECUSSKI-LBPRGKRZSA-N 2 1 263.385 2.075 20 0 CEADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000423207322 377124815 /nfs/dbraw/zinc/12/48/15/377124815.db2.gz GSBGVEWNKCXVMS-GHMZBOCLSA-N 2 1 282.409 2.185 20 0 CEADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000563135972 377101362 /nfs/dbraw/zinc/10/13/62/377101362.db2.gz PVWZHADJMYRWBW-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cncc(F)c1 ZINC000423189484 377102115 /nfs/dbraw/zinc/10/21/15/377102115.db2.gz PMFIYPFKYWCXQS-ZDUSSCGKSA-N 2 1 288.370 2.446 20 0 CEADMP C[C@@H]1C[C@H](NCC2([NH3+])CCCCCC2)C[N@H+]1C1CC1 ZINC000423207683 377125311 /nfs/dbraw/zinc/12/53/11/377125311.db2.gz YDFPGMWDOLMBIK-KGLIPLIRSA-N 2 1 265.445 2.253 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCCCC2)CN1C1CC1 ZINC000423207683 377125318 /nfs/dbraw/zinc/12/53/18/377125318.db2.gz YDFPGMWDOLMBIK-KGLIPLIRSA-N 2 1 265.445 2.253 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423269546 377190097 /nfs/dbraw/zinc/19/00/97/377190097.db2.gz HEBJBUPPGRCOJB-HUUCEWRRSA-N 2 1 286.423 2.438 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000423269541 377190288 /nfs/dbraw/zinc/19/02/88/377190288.db2.gz HDYWNOOQNTZELY-DGCLKSJQSA-N 2 1 264.369 2.439 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCOc2ccc(OC)cc21 ZINC000423272931 377194239 /nfs/dbraw/zinc/19/42/39/377194239.db2.gz KHRUNMQUNJEHJO-IUODEOHRSA-N 2 1 278.396 2.354 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc3c(c1)C[NH2+]CC3)CC[NH2+]CC2 ZINC000563270804 377149986 /nfs/dbraw/zinc/14/99/86/377149986.db2.gz ASEVTAWDEPDCGY-OAHLLOKOSA-N 2 1 299.462 2.296 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000423247409 377166312 /nfs/dbraw/zinc/16/63/12/377166312.db2.gz PDXHPZILTGOLID-OLZOCXBDSA-N 2 1 250.386 2.386 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CN)C1CCCCC1 ZINC000423262383 377181845 /nfs/dbraw/zinc/18/18/45/377181845.db2.gz MHAYYHPEOKGBSV-GUYCJALGSA-N 2 1 290.455 2.407 20 0 CEADMP C[C@@H]1C[C@H](N[C@H](C[NH3+])C2CCCCC2)C[N@H+]1C1CC1 ZINC000423261999 377182203 /nfs/dbraw/zinc/18/22/03/377182203.db2.gz LIFPPFRBYCFODN-IVMMDQJWSA-N 2 1 265.445 2.109 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000563414891 377213892 /nfs/dbraw/zinc/21/38/92/377213892.db2.gz ATJNFJFAWZSMFV-FICVDOATSA-N 2 1 268.445 2.248 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1OC ZINC000423286283 377215546 /nfs/dbraw/zinc/21/55/46/377215546.db2.gz GKMSZVGUTHPNCC-NSHDSACASA-N 2 1 266.385 2.400 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000423290039 377220490 /nfs/dbraw/zinc/22/04/90/377220490.db2.gz CBKCVBOIULIXEG-ZDUSSCGKSA-N 3 1 273.424 2.423 20 0 CEADMP C[C@H]([NH3+])c1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000423290039 377220499 /nfs/dbraw/zinc/22/04/99/377220499.db2.gz CBKCVBOIULIXEG-ZDUSSCGKSA-N 2 1 273.424 2.423 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]([NH3+])C1CC1)CCC2 ZINC000423320253 377249311 /nfs/dbraw/zinc/24/93/11/377249311.db2.gz MGFVDAJVMYNNEA-JKSUJKDBSA-N 2 1 260.381 2.400 20 0 CEADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423322135 377251753 /nfs/dbraw/zinc/25/17/53/377251753.db2.gz NPWNNUKBATXLHQ-QWHCGFSZSA-N 2 1 264.344 2.149 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423323828 377256004 /nfs/dbraw/zinc/25/60/04/377256004.db2.gz OXAWZVTXBBYMPF-CXAGYDPISA-N 3 1 291.439 2.015 20 0 CEADMP [NH3+][C@@H](C[NH2+][C@H]1CSCCc2ccccc21)C1CC1 ZINC000423326868 377259400 /nfs/dbraw/zinc/25/94/00/377259400.db2.gz RGMPPPIEUDKKGM-GJZGRUSLSA-N 2 1 262.422 2.344 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000423333425 377262263 /nfs/dbraw/zinc/26/22/63/377262263.db2.gz PTAAHDGVOVUPJW-UHFFFAOYSA-N 2 1 295.471 2.086 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(F)cn1 ZINC000423280739 377207461 /nfs/dbraw/zinc/20/74/61/377207461.db2.gz UMSJZQHZPHPDPQ-CWSCBRNRSA-N 2 1 267.348 2.007 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)c1ccccc1 ZINC000264873119 190141101 /nfs/dbraw/zinc/14/11/01/190141101.db2.gz GXUDNKVNZQRJAG-HOCLYGCPSA-N 2 1 291.439 2.136 20 0 CEADMP CC[C@](C)(C(=O)OC)[N@H+](CCn1cc[nH+]c1C)CC1CC1 ZINC000425515671 377359709 /nfs/dbraw/zinc/35/97/09/377359709.db2.gz SSFOFNLDGYMJDD-MRXNPFEDSA-N 2 1 293.411 2.245 20 0 CEADMP CC[C@](C)(C(=O)OC)[N@@H+](CCn1cc[nH+]c1C)CC1CC1 ZINC000425515671 377359712 /nfs/dbraw/zinc/35/97/12/377359712.db2.gz SSFOFNLDGYMJDD-MRXNPFEDSA-N 2 1 293.411 2.245 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000564300492 377370719 /nfs/dbraw/zinc/37/07/19/377370719.db2.gz RBPHDONSBDLZJM-BARDWOONSA-N 2 1 254.418 2.264 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCCc2ccccc21 ZINC000564383999 377385331 /nfs/dbraw/zinc/38/53/31/377385331.db2.gz FVICQRDDIRJYNN-SJLPKXTDSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCCc2ccccc21 ZINC000564383999 377385339 /nfs/dbraw/zinc/38/53/39/377385339.db2.gz FVICQRDDIRJYNN-SJLPKXTDSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)[C@@H]1CCCc2ccccc21)C1CC1 ZINC000564383999 377385342 /nfs/dbraw/zinc/38/53/42/377385342.db2.gz FVICQRDDIRJYNN-SJLPKXTDSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)[C@@H]1CCCc2ccccc21)C1CC1 ZINC000564383999 377385345 /nfs/dbraw/zinc/38/53/45/377385345.db2.gz FVICQRDDIRJYNN-SJLPKXTDSA-N 2 1 288.435 2.451 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000564440743 377392022 /nfs/dbraw/zinc/39/20/22/377392022.db2.gz XXLCUTZTTSYMHW-GFCCVEGCSA-N 2 1 263.385 2.295 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[NH+](C3CCC3)CC2)c1C ZINC000264963089 190148266 /nfs/dbraw/zinc/14/82/66/190148266.db2.gz GKCBWDOLFUJRCK-UHFFFAOYSA-N 2 1 289.423 2.377 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]C1CC(C)(c2ccccc2)C1)C1CC1 ZINC000564793589 377457263 /nfs/dbraw/zinc/45/72/63/377457263.db2.gz JXLMXNHTZASZEO-NXYGQSRBSA-N 2 1 288.435 2.151 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]C1CC(C)(c2ccccc2)C1)C1CC1 ZINC000564793589 377457268 /nfs/dbraw/zinc/45/72/68/377457268.db2.gz JXLMXNHTZASZEO-NXYGQSRBSA-N 2 1 288.435 2.151 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000293346765 377530574 /nfs/dbraw/zinc/53/05/74/377530574.db2.gz GUOLXIIGEYODLP-MNOVXSKESA-N 2 1 284.425 2.383 20 0 CEADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000332379756 377583950 /nfs/dbraw/zinc/58/39/50/377583950.db2.gz YOIBFFBYNZLSPR-IIAWOOMASA-N 2 1 291.443 2.200 20 0 CEADMP CN(CC[NH+]1CCOCC1)c1cc[nH+]c2ccccc21 ZINC000265608492 190193448 /nfs/dbraw/zinc/19/34/48/190193448.db2.gz UMOUOLCKDKMNQO-UHFFFAOYSA-N 2 1 271.364 2.003 20 0 CEADMP COc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1Cl ZINC000084594936 249301501 /nfs/dbraw/zinc/30/15/01/249301501.db2.gz XBZOXOQRDMQCAO-UHFFFAOYSA-N 2 1 254.761 2.190 20 0 CEADMP C[NH+](CCCCC[N@H+](C)C1CCOCC1)C1CCOCC1 ZINC000532988053 542207459 /nfs/dbraw/zinc/20/74/59/542207459.db2.gz FLLJHHCKQOXRSH-UHFFFAOYSA-N 2 1 298.471 2.378 20 0 CEADMP CCc1cnc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000166731363 542211830 /nfs/dbraw/zinc/21/18/30/542211830.db2.gz QWRFLWDYXNCHGF-QWHCGFSZSA-N 2 1 279.453 2.464 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000431857987 377680282 /nfs/dbraw/zinc/68/02/82/377680282.db2.gz BCNVNCGWGSNANE-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000431857987 377680289 /nfs/dbraw/zinc/68/02/89/377680289.db2.gz BCNVNCGWGSNANE-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000431857987 377680295 /nfs/dbraw/zinc/68/02/95/377680295.db2.gz BCNVNCGWGSNANE-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000566121665 377728601 /nfs/dbraw/zinc/72/86/01/377728601.db2.gz MGHCTLJPUBSJLV-DZGCQCFKSA-N 2 1 254.418 2.166 20 0 CEADMP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000566121665 377728605 /nfs/dbraw/zinc/72/86/05/377728605.db2.gz MGHCTLJPUBSJLV-DZGCQCFKSA-N 2 1 254.418 2.166 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC1CC(c2ccccc2)C1)C1CC1 ZINC000566129704 377731822 /nfs/dbraw/zinc/73/18/22/377731822.db2.gz LYKVULYTIQVUEL-JFUPDXTOSA-N 2 1 288.435 2.225 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC1CC(c2ccccc2)C1)C1CC1 ZINC000566129704 377731830 /nfs/dbraw/zinc/73/18/30/377731830.db2.gz LYKVULYTIQVUEL-JFUPDXTOSA-N 2 1 288.435 2.225 20 0 CEADMP CCn1cc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cn1 ZINC000432404734 377757439 /nfs/dbraw/zinc/75/74/39/377757439.db2.gz FQESVLJQIZXEJL-GJZGRUSLSA-N 2 1 294.443 2.055 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)cn1 ZINC000432404734 377757447 /nfs/dbraw/zinc/75/74/47/377757447.db2.gz FQESVLJQIZXEJL-GJZGRUSLSA-N 2 1 294.443 2.055 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cn1 ZINC000432404734 377757451 /nfs/dbraw/zinc/75/74/51/377757451.db2.gz FQESVLJQIZXEJL-GJZGRUSLSA-N 2 1 294.443 2.055 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cn1 ZINC000432404734 377757455 /nfs/dbraw/zinc/75/74/55/377757455.db2.gz FQESVLJQIZXEJL-GJZGRUSLSA-N 2 1 294.443 2.055 20 0 CEADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000432417576 377758649 /nfs/dbraw/zinc/75/86/49/377758649.db2.gz WHDSWDRJXIVJQK-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000432417576 377758653 /nfs/dbraw/zinc/75/86/53/377758653.db2.gz WHDSWDRJXIVJQK-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000435878437 377812430 /nfs/dbraw/zinc/81/24/30/377812430.db2.gz BSKUAFGRGGCSSN-ZDUSSCGKSA-N 2 1 262.353 2.162 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000435878437 377812437 /nfs/dbraw/zinc/81/24/37/377812437.db2.gz BSKUAFGRGGCSSN-ZDUSSCGKSA-N 2 1 262.353 2.162 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000566976350 377790876 /nfs/dbraw/zinc/79/08/76/377790876.db2.gz PUNPHMOHEWNXPM-YESZJQIVSA-N 2 1 280.456 2.201 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000566976350 377790882 /nfs/dbraw/zinc/79/08/82/377790882.db2.gz PUNPHMOHEWNXPM-YESZJQIVSA-N 2 1 280.456 2.201 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000566976350 377790889 /nfs/dbraw/zinc/79/08/89/377790889.db2.gz PUNPHMOHEWNXPM-YESZJQIVSA-N 2 1 280.456 2.201 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@H]2CCOC2)C1 ZINC000438097882 377885339 /nfs/dbraw/zinc/88/53/39/377885339.db2.gz UVCUUOWJIAGAKQ-HOTGVXAUSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000438097882 377885346 /nfs/dbraw/zinc/88/53/46/377885346.db2.gz UVCUUOWJIAGAKQ-HOTGVXAUSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000438097882 377885351 /nfs/dbraw/zinc/88/53/51/377885351.db2.gz UVCUUOWJIAGAKQ-HOTGVXAUSA-N 2 1 266.429 2.077 20 0 CEADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)[C@@H]1CCOC1 ZINC000438124930 377890035 /nfs/dbraw/zinc/89/00/35/377890035.db2.gz HBJLPUWTYSGOAC-HZPDHXFCSA-N 2 1 266.429 2.221 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@H]1CCCC[NH2+]1 ZINC000567579910 377844024 /nfs/dbraw/zinc/84/40/24/377844024.db2.gz WNBMJKFPCNCFKT-TZMCWYRMSA-N 2 1 276.380 2.078 20 0 CEADMP CC(C)C[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441348275 377936789 /nfs/dbraw/zinc/93/67/89/377936789.db2.gz MVMCMTCTSHVOPX-AWEZNQCLSA-N 2 1 255.450 2.037 20 0 CEADMP C[C@H]1CCCN1C(=O)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441355606 377938581 /nfs/dbraw/zinc/93/85/81/377938581.db2.gz KPQXTZFWUSTAIA-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H]1CCCN1C(=O)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441355606 377938584 /nfs/dbraw/zinc/93/85/84/377938584.db2.gz KPQXTZFWUSTAIA-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442876994 378010654 /nfs/dbraw/zinc/01/06/54/378010654.db2.gz QIPGNCUOIUWDGW-AWEZNQCLSA-N 2 1 255.450 2.181 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000443345904 378047867 /nfs/dbraw/zinc/04/78/67/378047867.db2.gz SVXYFYNXDIPQGF-GUTXKFCHSA-N 2 1 265.401 2.063 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000443345904 378047873 /nfs/dbraw/zinc/04/78/73/378047873.db2.gz SVXYFYNXDIPQGF-GUTXKFCHSA-N 2 1 265.401 2.063 20 0 CEADMP C[C@@H]1C[C@H](NCC[NH+]2CCCC(C)(C)C2)CC[N@H+]1C ZINC000447566773 378117319 /nfs/dbraw/zinc/11/73/19/378117319.db2.gz WHWMTJDHIBHQHF-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H](NCC[N@@H+]2CCCC(C)(C)C2)CC[NH+]1C ZINC000447566773 378117325 /nfs/dbraw/zinc/11/73/25/378117325.db2.gz WHWMTJDHIBHQHF-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H](NCC[N@H+]2CCCC(C)(C)C2)CC[NH+]1C ZINC000447566773 378117334 /nfs/dbraw/zinc/11/73/34/378117334.db2.gz WHWMTJDHIBHQHF-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(C)nc2C)C1 ZINC000447192162 378095147 /nfs/dbraw/zinc/09/51/47/378095147.db2.gz IRTMBCXZUWJPBP-ZDUSSCGKSA-N 2 1 276.384 2.162 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449337573 378202789 /nfs/dbraw/zinc/20/27/89/378202789.db2.gz QCYMVENAIRUYCB-QKPAOTATSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000450251842 378327240 /nfs/dbraw/zinc/32/72/40/378327240.db2.gz DRHNNYHGIQSVKQ-RHSMWYFYSA-N 2 1 276.424 2.177 20 0 CEADMP C[C@@H]1CN(Cc2cccc3nccn32)CC[N@H+](C2CC2)C1 ZINC000295920007 378355278 /nfs/dbraw/zinc/35/52/78/378355278.db2.gz DYLQKRBHCJQHKU-CQSZACIVSA-N 2 1 284.407 2.250 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000450395661 378392385 /nfs/dbraw/zinc/39/23/85/378392385.db2.gz VFRMCJWZGWBYAG-IRXDYDNUSA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000450395661 378392390 /nfs/dbraw/zinc/39/23/90/378392390.db2.gz VFRMCJWZGWBYAG-IRXDYDNUSA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000450395661 378392396 /nfs/dbraw/zinc/39/23/96/378392396.db2.gz VFRMCJWZGWBYAG-IRXDYDNUSA-N 2 1 279.472 2.418 20 0 CEADMP Cc1cccnc1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000296323865 378490893 /nfs/dbraw/zinc/49/08/93/378490893.db2.gz GYTMOZVMCOUOSN-OFQRWUPVSA-N 2 1 261.413 2.251 20 0 CEADMP CS[C@@H]1CN(C[C@@H]2CCCC[N@H+]2C(C)C)C[C@@H]1[NH+](C)C ZINC000450637756 378511590 /nfs/dbraw/zinc/51/15/90/378511590.db2.gz RFSUHAXWPGGBLW-HRCADAONSA-N 2 1 299.528 2.227 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cn1 ZINC000296511419 378557346 /nfs/dbraw/zinc/55/73/46/378557346.db2.gz RMBZGUIUANSZKJ-YWPYICTPSA-N 2 1 286.379 2.231 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC000296640983 378601155 /nfs/dbraw/zinc/60/11/55/378601155.db2.gz YBRFXILQCFHEOT-UAGQMJEPSA-N 2 1 276.424 2.316 20 0 CEADMP c1ccc2c(c1)CCN(CC[NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000298251417 378696202 /nfs/dbraw/zinc/69/62/02/378696202.db2.gz DMJPAPXCSAFZAE-UHFFFAOYSA-N 2 1 299.462 2.261 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@](C)(F)C2)CC1 ZINC000451117342 378713570 /nfs/dbraw/zinc/71/35/70/378713570.db2.gz UWXLRVNMVYNRAF-INIZCTEOSA-N 2 1 285.451 2.227 20 0 CEADMP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453093541 378800324 /nfs/dbraw/zinc/80/03/24/378800324.db2.gz MOCAMZDKRPTXQW-DDBAPUKQSA-N 2 1 288.435 2.400 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000453036973 378780924 /nfs/dbraw/zinc/78/09/24/378780924.db2.gz OJTYSPQUECWJKG-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H](C)Cc1cnccn1)[NH+]1CCCC1 ZINC000453068362 378793485 /nfs/dbraw/zinc/79/34/85/378793485.db2.gz ATPBBPBDTLYLCE-GOEBONIOSA-N 2 1 276.428 2.118 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@H](C2CC2)C2CCC2)CC1(C)C ZINC000453210956 378828948 /nfs/dbraw/zinc/82/89/48/378828948.db2.gz KGHGLGRPYSAPDR-INIZCTEOSA-N 2 1 279.472 2.181 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453099327 378802848 /nfs/dbraw/zinc/80/28/48/378802848.db2.gz RCLKBOOFIYZIHP-KRWDZBQOSA-N 2 1 280.456 2.392 20 0 CEADMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(-c2ccccc2)n1 ZINC000346821522 218024990 /nfs/dbraw/zinc/02/49/90/218024990.db2.gz IJZNFVICJLZCMH-BHYGNILZSA-N 2 1 296.418 2.256 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(C)(C)[NH3+])C1 ZINC000346850288 218036763 /nfs/dbraw/zinc/03/67/63/218036763.db2.gz PWVDGMWCBPFJPG-HUUCEWRRSA-N 2 1 267.461 2.310 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@H]21 ZINC000346855697 218037779 /nfs/dbraw/zinc/03/77/79/218037779.db2.gz VGEUCVGACXCJBO-KBAYOESNSA-N 2 1 296.418 2.432 20 0 CEADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)OC ZINC000453297126 378858174 /nfs/dbraw/zinc/85/81/74/378858174.db2.gz HPOAKDNAXUYKFL-KBUPBQIOSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1nc(F)ccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000278499685 194014090 /nfs/dbraw/zinc/01/40/90/194014090.db2.gz VJNQYAZDTCYOKK-UHFFFAOYSA-N 2 1 265.376 2.303 20 0 CEADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000453324867 378863102 /nfs/dbraw/zinc/86/31/02/378863102.db2.gz LMXABBDBLJETBW-OAGGEKHMSA-N 2 1 259.397 2.352 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CCOC1 ZINC000453388656 378881259 /nfs/dbraw/zinc/88/12/59/378881259.db2.gz BVMAXPBKVKFKEJ-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21)C1CC1 ZINC000453395289 378885259 /nfs/dbraw/zinc/88/52/59/378885259.db2.gz HOPSMLVPWGUGJP-ZACQAIPSSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C1CC1 ZINC000453395289 378885262 /nfs/dbraw/zinc/88/52/62/378885262.db2.gz HOPSMLVPWGUGJP-ZACQAIPSSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C1CC1 ZINC000453395289 378885265 /nfs/dbraw/zinc/88/52/65/378885265.db2.gz HOPSMLVPWGUGJP-ZACQAIPSSA-N 3 1 279.472 2.323 20 0 CEADMP CN1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)[C@H]2CCC[C@@H]21 ZINC000453395289 378885268 /nfs/dbraw/zinc/88/52/68/378885268.db2.gz HOPSMLVPWGUGJP-ZACQAIPSSA-N 2 1 279.472 2.323 20 0 CEADMP CN1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@H]2CCC[C@@H]21 ZINC000453395289 378885271 /nfs/dbraw/zinc/88/52/71/378885271.db2.gz HOPSMLVPWGUGJP-ZACQAIPSSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000453413923 378893964 /nfs/dbraw/zinc/89/39/64/378893964.db2.gz WUNQYQRSHLDHMG-ZBFHGGJFSA-N 3 1 265.445 2.077 20 0 CEADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000453413923 378893969 /nfs/dbraw/zinc/89/39/69/378893969.db2.gz WUNQYQRSHLDHMG-ZBFHGGJFSA-N 3 1 265.445 2.077 20 0 CEADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000453413923 378893976 /nfs/dbraw/zinc/89/39/76/378893976.db2.gz WUNQYQRSHLDHMG-ZBFHGGJFSA-N 3 1 265.445 2.077 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)CCOc1ccccc1F ZINC000299016334 378876613 /nfs/dbraw/zinc/87/66/13/378876613.db2.gz HAXZIRWYHXFIAK-UHFFFAOYSA-N 2 1 277.343 2.341 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)CCOc1ccccc1F ZINC000299016334 378876619 /nfs/dbraw/zinc/87/66/19/378876619.db2.gz HAXZIRWYHXFIAK-UHFFFAOYSA-N 2 1 277.343 2.341 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094371391 284725543 /nfs/dbraw/zinc/72/55/43/284725543.db2.gz SZWQDRIMULUVGC-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000347003080 218087594 /nfs/dbraw/zinc/08/75/94/218087594.db2.gz KHZVJXYPIULKJP-ZDUSSCGKSA-N 2 1 250.361 2.427 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnc(-c3ccccn3)s2)CC[C@H]1[NH3+] ZINC000347036538 218100735 /nfs/dbraw/zinc/10/07/35/218100735.db2.gz GZJZMKRMTBBQKY-WCQYABFASA-N 2 1 288.420 2.374 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccccn3)s2)CC[C@H]1[NH3+] ZINC000347036538 218100737 /nfs/dbraw/zinc/10/07/37/218100737.db2.gz GZJZMKRMTBBQKY-WCQYABFASA-N 2 1 288.420 2.374 20 0 CEADMP COc1ccsc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347017911 218093647 /nfs/dbraw/zinc/09/36/47/218093647.db2.gz KVTPYIYUYSSUPS-FOSCPWQOSA-N 2 1 266.410 2.472 20 0 CEADMP COc1ccsc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347017911 218093648 /nfs/dbraw/zinc/09/36/48/218093648.db2.gz KVTPYIYUYSSUPS-FOSCPWQOSA-N 2 1 266.410 2.472 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000347110843 218125020 /nfs/dbraw/zinc/12/50/20/218125020.db2.gz OAELMALEZSSVAW-IUODEOHRSA-N 2 1 278.444 2.469 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000347112691 218126150 /nfs/dbraw/zinc/12/61/50/218126150.db2.gz ROGONOPAAPNBBL-CQSZACIVSA-N 2 1 262.397 2.353 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1OC ZINC000347199322 218153026 /nfs/dbraw/zinc/15/30/26/218153026.db2.gz IZATUGSDCSFJPG-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1OC ZINC000347199322 218153029 /nfs/dbraw/zinc/15/30/29/218153029.db2.gz IZATUGSDCSFJPG-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000515356220 379210146 /nfs/dbraw/zinc/21/01/46/379210146.db2.gz UGYNWFSCHHWYJQ-AWEZNQCLSA-N 2 1 289.423 2.071 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(C)n1 ZINC000278931851 194217408 /nfs/dbraw/zinc/21/74/08/194217408.db2.gz JFNKULQVEXHXCK-RISCZKNCSA-N 2 1 285.395 2.203 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000520683377 379499637 /nfs/dbraw/zinc/49/96/37/379499637.db2.gz DGRKGZNVRGROPQ-UHFFFAOYSA-N 2 1 263.385 2.273 20 0 CEADMP c1nc2c([nH]1)CC[C@H]([NH2+]Cc1cnc(C3CC3)s1)C2 ZINC000520462958 379474303 /nfs/dbraw/zinc/47/43/03/379474303.db2.gz JCTWEKQRMFZROW-JTQLQIEISA-N 2 1 274.393 2.391 20 0 CEADMP CC[C@H](C)[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000456536907 379479082 /nfs/dbraw/zinc/47/90/82/379479082.db2.gz VUKUMQNRPWLNBD-JONQDZQNSA-N 2 1 295.471 2.190 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000522101058 379559083 /nfs/dbraw/zinc/55/90/83/379559083.db2.gz SHKAXFUQXNELSY-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP O[C@H](C[N@H+]1CC[C@@H](Oc2ccncc2)C1)c1ccccc1 ZINC000305106870 379640998 /nfs/dbraw/zinc/64/09/98/379640998.db2.gz FFPBTKNGPQWOLT-IAGOWNOFSA-N 2 1 284.359 2.268 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000457102764 379670104 /nfs/dbraw/zinc/67/01/04/379670104.db2.gz AJZKRZJNCLQETO-WCVJEAGWSA-N 2 1 295.471 2.189 20 0 CEADMP COC1CC[NH+](C2(C[NH2+]C3CCOCC3)CCCC2)CC1 ZINC000347713612 218332424 /nfs/dbraw/zinc/33/24/24/218332424.db2.gz CQKMRZKEBZHUOS-UHFFFAOYSA-N 2 1 296.455 2.179 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CCN(c2cc(C)cc[nH+]2)C1 ZINC000347735857 218338770 /nfs/dbraw/zinc/33/87/70/218338770.db2.gz JEAYDZWEZSCCKH-HNNXBMFYSA-N 2 1 277.412 2.327 20 0 CEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)OCC ZINC000527741693 379806002 /nfs/dbraw/zinc/80/60/02/379806002.db2.gz APPJJQSWRBUSNI-RBSFLKMASA-N 2 1 254.418 2.408 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000267433947 190330102 /nfs/dbraw/zinc/33/01/02/190330102.db2.gz NKCLZBLKYZBRHN-IHRRRGAJSA-N 2 1 292.427 2.282 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000267433947 190330103 /nfs/dbraw/zinc/33/01/03/190330103.db2.gz NKCLZBLKYZBRHN-IHRRRGAJSA-N 2 1 292.427 2.282 20 0 CEADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527652224 379785180 /nfs/dbraw/zinc/78/51/80/379785180.db2.gz CPBANRIWQHASGT-WBAXXEDZSA-N 2 1 293.499 2.284 20 0 CEADMP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333837669 380161673 /nfs/dbraw/zinc/16/16/73/380161673.db2.gz KMTKNTUJPPXIOB-FZMZJTMJSA-N 2 1 290.411 2.472 20 0 CEADMP CCc1cc(N2CC[N@@H+](C)C[C@@H]2C(C)C)nc(C)n1 ZINC000542948981 380324852 /nfs/dbraw/zinc/32/48/52/380324852.db2.gz ONBOUYPFRUTEQB-CQSZACIVSA-N 2 1 262.401 2.124 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491588898 380335768 /nfs/dbraw/zinc/33/57/68/380335768.db2.gz MMOYKFMLOUAZJR-LBPRGKRZSA-N 2 1 252.406 2.060 20 0 CEADMP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cnn1C ZINC000544480927 380355709 /nfs/dbraw/zinc/35/57/09/380355709.db2.gz BNOHEPPHWMLRBM-OCCSQVGLSA-N 2 1 264.417 2.254 20 0 CEADMP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cnn1C ZINC000544480927 380355711 /nfs/dbraw/zinc/35/57/11/380355711.db2.gz BNOHEPPHWMLRBM-OCCSQVGLSA-N 2 1 264.417 2.254 20 0 CEADMP C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+](C)C1CC1 ZINC000546722203 380416498 /nfs/dbraw/zinc/41/64/98/380416498.db2.gz AQJCEBNRZNMXOK-AWEZNQCLSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@H+](C)C1CC1 ZINC000546722203 380416502 /nfs/dbraw/zinc/41/65/02/380416502.db2.gz AQJCEBNRZNMXOK-AWEZNQCLSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@@H+](C)C1CC1 ZINC000546722203 380416507 /nfs/dbraw/zinc/41/65/07/380416507.db2.gz AQJCEBNRZNMXOK-AWEZNQCLSA-N 2 1 295.471 2.240 20 0 CEADMP COC[C@@H](Cc1ccccc1)[NH2+]CCn1cc[nH+]c1C ZINC000268792962 190433733 /nfs/dbraw/zinc/43/37/33/190433733.db2.gz GYDXPMXCWSEHDC-MRXNPFEDSA-N 2 1 273.380 2.039 20 0 CEADMP C[C@@H](O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551086997 380635396 /nfs/dbraw/zinc/63/53/96/380635396.db2.gz JOEFKXJEZHBIMS-VNQPRFMTSA-N 2 1 262.397 2.182 20 0 CEADMP C[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551086997 380635399 /nfs/dbraw/zinc/63/53/99/380635399.db2.gz JOEFKXJEZHBIMS-VNQPRFMTSA-N 2 1 262.397 2.182 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000554071751 380756619 /nfs/dbraw/zinc/75/66/19/380756619.db2.gz ODEURDZKACOETP-GJZGRUSLSA-N 2 1 299.422 2.260 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000554560964 380783369 /nfs/dbraw/zinc/78/33/69/380783369.db2.gz MJBZEPYKYFGJBK-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP CCCN1CCC([NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000037221498 542279574 /nfs/dbraw/zinc/27/95/74/542279574.db2.gz HKAACXFFNCHHQS-CQSZACIVSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000334857927 207196670 /nfs/dbraw/zinc/19/66/70/207196670.db2.gz QNNDHHZXWNJPMP-GWCFXTLKSA-N 2 1 278.787 2.075 20 0 CEADMP CC[N@@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C)n2)[C@H](C)C1 ZINC000189429525 542331002 /nfs/dbraw/zinc/33/10/02/542331002.db2.gz FHANCFNKWKCPKA-RISCZKNCSA-N 2 1 262.401 2.260 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C)n2)[C@H](C)C1 ZINC000189429525 542331006 /nfs/dbraw/zinc/33/10/06/542331006.db2.gz FHANCFNKWKCPKA-RISCZKNCSA-N 2 1 262.401 2.260 20 0 CEADMP C[C@@H]1COc2ccccc2C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000334967761 207383353 /nfs/dbraw/zinc/38/33/53/207383353.db2.gz JRXAPSJSDAWWEU-ZIAGYGMSSA-N 2 1 260.381 2.269 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335270997 208071442 /nfs/dbraw/zinc/07/14/42/208071442.db2.gz XCVMAUFOMAYKBB-GASCZTMLSA-N 2 1 273.424 2.184 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335278727 208085464 /nfs/dbraw/zinc/08/54/64/208085464.db2.gz ONUHSIKARUKLFT-LBPRGKRZSA-N 2 1 279.453 2.458 20 0 CEADMP C[C@H]1CC2(C[N@@H+]1Cc1nccn1C(F)F)CC[NH2+]CC2 ZINC000335279972 208089262 /nfs/dbraw/zinc/08/92/62/208089262.db2.gz KQRTWLQMQDJFMA-NSHDSACASA-N 2 1 284.354 2.242 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1nccn1C(F)F)CC[NH2+]CC2 ZINC000335279972 208089268 /nfs/dbraw/zinc/08/92/68/208089268.db2.gz KQRTWLQMQDJFMA-NSHDSACASA-N 2 1 284.354 2.242 20 0 CEADMP CCn1nc(C)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000335309077 208158282 /nfs/dbraw/zinc/15/82/82/208158282.db2.gz QZCBHUGIFMKRDX-MRXNPFEDSA-N 2 1 276.428 2.095 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000335309077 208158286 /nfs/dbraw/zinc/15/82/86/208158286.db2.gz QZCBHUGIFMKRDX-MRXNPFEDSA-N 2 1 276.428 2.095 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1C ZINC000335371959 208301951 /nfs/dbraw/zinc/30/19/51/208301951.db2.gz RHRXAMVWOSEMGX-GJZGRUSLSA-N 2 1 260.381 2.045 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1C ZINC000335371959 208301957 /nfs/dbraw/zinc/30/19/57/208301957.db2.gz RHRXAMVWOSEMGX-GJZGRUSLSA-N 2 1 260.381 2.045 20 0 CEADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000289362852 197312679 /nfs/dbraw/zinc/31/26/79/197312679.db2.gz NFWVBMGYAGOYCJ-RHSMWYFYSA-N 2 1 276.424 2.409 20 0 CEADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000289362852 197312680 /nfs/dbraw/zinc/31/26/80/197312680.db2.gz NFWVBMGYAGOYCJ-RHSMWYFYSA-N 2 1 276.424 2.409 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC000350259541 219003655 /nfs/dbraw/zinc/00/36/55/219003655.db2.gz VYLNKNYXVBWVPM-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP Cc1cccc(CCC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000353853877 220369105 /nfs/dbraw/zinc/36/91/05/220369105.db2.gz GTCBCZYDLBWVEQ-BBRMVZONSA-N 2 1 261.413 2.252 20 0 CEADMP COC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000246374454 285235177 /nfs/dbraw/zinc/23/51/77/285235177.db2.gz JKQYDSRXPJFUCM-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP OC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCCC1 ZINC000156119589 285240064 /nfs/dbraw/zinc/24/00/64/285240064.db2.gz SGYDYBASKRNCMI-HUUCEWRRSA-N 2 1 266.429 2.288 20 0 CEADMP C[NH+](C)CCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281382913 195218831 /nfs/dbraw/zinc/21/88/31/195218831.db2.gz XJDVXENCYZLGCU-AWEZNQCLSA-N 2 1 251.349 2.213 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000517172505 260031805 /nfs/dbraw/zinc/03/18/05/260031805.db2.gz XLSMMGJVPRTMEB-ZNMIVQPWSA-N 2 1 277.412 2.146 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ncc(Cl)n1C ZINC000281602371 195303863 /nfs/dbraw/zinc/30/38/63/195303863.db2.gz FYQUEHIPIQVHPP-JTQLQIEISA-N 2 1 281.791 2.004 20 0 CEADMP Oc1ccc2c(c1)C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000334998319 285387074 /nfs/dbraw/zinc/38/70/74/285387074.db2.gz OWFYXXZPCBXULS-ZDUSSCGKSA-N 2 1 260.381 2.140 20 0 CEADMP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253622917 285390484 /nfs/dbraw/zinc/39/04/84/285390484.db2.gz NLDKVXSWWMWZHF-IPYPFGDCSA-N 2 1 287.407 2.381 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)C(C)(C)C)[C@H](C)C1 ZINC000336788551 285396908 /nfs/dbraw/zinc/39/69/08/285396908.db2.gz PQYBGLHJOPWZCF-RDBSUJKOSA-N 2 1 256.434 2.056 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)C(C)(C)C)[C@H](C)C1 ZINC000336788551 285396910 /nfs/dbraw/zinc/39/69/10/285396910.db2.gz PQYBGLHJOPWZCF-RDBSUJKOSA-N 2 1 256.434 2.056 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)C(C)(C)C)[C@H](C)C1 ZINC000336788551 285396912 /nfs/dbraw/zinc/39/69/12/285396912.db2.gz PQYBGLHJOPWZCF-RDBSUJKOSA-N 2 1 256.434 2.056 20 0 CEADMP CO[C@]1(C)C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000162418248 533374305 /nfs/dbraw/zinc/37/43/05/533374305.db2.gz GOPNHFZQPWSINS-GDBMZVCRSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H](CNc1[nH+]cnc2[nH]ccc21)C[NH+]1CCCC1 ZINC000263822303 131339551 /nfs/dbraw/zinc/33/95/51/131339551.db2.gz YJUZSVPAGUJWHY-LLVKDONJSA-N 2 1 259.357 2.102 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000299973867 394452945 /nfs/dbraw/zinc/45/29/45/394452945.db2.gz BNPJBCKJJZBELL-HZSPNIEDSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000300143458 394453070 /nfs/dbraw/zinc/45/30/70/394453070.db2.gz WNBHBGNDFGQGMC-KBXIAJHMSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000300143458 394453075 /nfs/dbraw/zinc/45/30/75/394453075.db2.gz WNBHBGNDFGQGMC-KBXIAJHMSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421018067 394466878 /nfs/dbraw/zinc/46/68/78/394466878.db2.gz NVDRRDRDALASJD-INIZCTEOSA-N 2 1 279.428 2.456 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](CCO)CC1 ZINC000421018067 394466881 /nfs/dbraw/zinc/46/68/81/394466881.db2.gz NVDRRDRDALASJD-INIZCTEOSA-N 2 1 279.428 2.456 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000226329057 394470459 /nfs/dbraw/zinc/47/04/59/394470459.db2.gz NHDVUHLWERKQJV-HZPDHXFCSA-N 2 1 261.413 2.451 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000355621648 394479060 /nfs/dbraw/zinc/47/90/60/394479060.db2.gz RHBQBPLOIMRMOI-HNNXBMFYSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305122101 394493884 /nfs/dbraw/zinc/49/38/84/394493884.db2.gz JYVRLTWGUYZMQE-FOLVSLTJSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1c(Cl)c(C[NH2+]CCC2CC[NH+](C)CC2)nn1C ZINC000421328508 394501139 /nfs/dbraw/zinc/50/11/39/394501139.db2.gz SREWSAHPVYLANG-UHFFFAOYSA-N 2 1 284.835 2.203 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000245710337 394504230 /nfs/dbraw/zinc/50/42/30/394504230.db2.gz ZFCNMUZMEWFBDB-SJORKVTESA-N 2 1 279.472 2.421 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000305612772 394507717 /nfs/dbraw/zinc/50/77/17/394507717.db2.gz AIGAELQRXLVYQI-XHSDSOJGSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000305612772 394507719 /nfs/dbraw/zinc/50/77/19/394507719.db2.gz AIGAELQRXLVYQI-XHSDSOJGSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000305612772 394507722 /nfs/dbraw/zinc/50/77/22/394507722.db2.gz AIGAELQRXLVYQI-XHSDSOJGSA-N 2 1 266.429 2.098 20 0 CEADMP C(C[NH+]1CCCCCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250849544 394565444 /nfs/dbraw/zinc/56/54/44/394565444.db2.gz NUYYMSCLEYAISS-HOTGVXAUSA-N 2 1 265.445 2.079 20 0 CEADMP CC1(C)CCCC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000251190453 394566587 /nfs/dbraw/zinc/56/65/87/394566587.db2.gz SMLBBQILPUDEAF-KKUMJFAQSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CCCC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000251190453 394566590 /nfs/dbraw/zinc/56/65/90/394566590.db2.gz SMLBBQILPUDEAF-KKUMJFAQSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)C(C)(C)O ZINC000356246626 394570696 /nfs/dbraw/zinc/57/06/96/394570696.db2.gz AMYMQULVYVOQQY-UHFFFAOYSA-N 2 1 253.390 2.111 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)s1 ZINC000356529340 394579909 /nfs/dbraw/zinc/57/99/09/394579909.db2.gz QVEYRFRQXPQDEN-AWEZNQCLSA-N 2 1 297.468 2.091 20 0 CEADMP C[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](C)[C@@H]2C)[C@H]1C ZINC000246867698 394522545 /nfs/dbraw/zinc/52/25/45/394522545.db2.gz CVUDZSYKWGEAMN-FZKCQIBNSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](C)[C@@H]2C)[C@H]1C ZINC000246867698 394522546 /nfs/dbraw/zinc/52/25/46/394522546.db2.gz CVUDZSYKWGEAMN-FZKCQIBNSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](C)[C@@H]2C)[C@H]1C ZINC000246867698 394522548 /nfs/dbraw/zinc/52/25/48/394522548.db2.gz CVUDZSYKWGEAMN-FZKCQIBNSA-N 2 1 268.445 2.464 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1C ZINC000307975270 394524870 /nfs/dbraw/zinc/52/48/70/394524870.db2.gz RTDDURIGVAJZQT-AWEZNQCLSA-N 2 1 264.417 2.081 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248178030 394537914 /nfs/dbraw/zinc/53/79/14/394537914.db2.gz VYGKNUDGAZKUFY-ARFHVFGLSA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248178030 394537915 /nfs/dbraw/zinc/53/79/15/394537915.db2.gz VYGKNUDGAZKUFY-ARFHVFGLSA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248178030 394537917 /nfs/dbraw/zinc/53/79/17/394537917.db2.gz VYGKNUDGAZKUFY-ARFHVFGLSA-N 2 1 267.461 2.323 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OC ZINC000049711284 394550751 /nfs/dbraw/zinc/55/07/51/394550751.db2.gz SZVJEFTZNMTDJZ-WCQYABFASA-N 2 1 264.369 2.015 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OC ZINC000049711284 394550754 /nfs/dbraw/zinc/55/07/54/394550754.db2.gz SZVJEFTZNMTDJZ-WCQYABFASA-N 2 1 264.369 2.015 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249270166 394552981 /nfs/dbraw/zinc/55/29/81/394552981.db2.gz ARFLBVBTCYCJQC-GOEBONIOSA-N 2 1 291.439 2.136 20 0 CEADMP CC(C)[C@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+]1CCCCC1 ZINC000422030502 394659568 /nfs/dbraw/zinc/65/95/68/394659568.db2.gz ZUDJLRMNDQAGDG-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCOC(=O)[C@@H]1CCCCCN1CC[C@@H]1CCC[N@H+]1C ZINC000259968537 394600749 /nfs/dbraw/zinc/60/07/49/394600749.db2.gz JUPHKJDICKMOHM-GJZGRUSLSA-N 2 1 282.428 2.278 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000356766685 394607223 /nfs/dbraw/zinc/60/72/23/394607223.db2.gz SJEZJJPAQXKODU-ZDUSSCGKSA-N 2 1 271.449 2.001 20 0 CEADMP COC1([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC000421828104 394607688 /nfs/dbraw/zinc/60/76/88/394607688.db2.gz BBHULTYPTSTUBL-IHRRRGAJSA-N 2 1 254.418 2.406 20 0 CEADMP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000421828104 394607690 /nfs/dbraw/zinc/60/76/90/394607690.db2.gz BBHULTYPTSTUBL-IHRRRGAJSA-N 2 1 254.418 2.406 20 0 CEADMP CCCC[NH+]1CCC([NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000093464826 394667181 /nfs/dbraw/zinc/66/71/81/394667181.db2.gz XHRKQNWHQIJSDG-ZBFHGGJFSA-N 3 1 267.461 2.371 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000356784896 394613232 /nfs/dbraw/zinc/61/32/32/394613232.db2.gz VHXISGGYCJHFAN-HUUCEWRRSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000356784896 394613236 /nfs/dbraw/zinc/61/32/36/394613236.db2.gz VHXISGGYCJHFAN-HUUCEWRRSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000356784896 394613241 /nfs/dbraw/zinc/61/32/41/394613241.db2.gz VHXISGGYCJHFAN-HUUCEWRRSA-N 2 1 283.460 2.096 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CCO1 ZINC000356971668 394668169 /nfs/dbraw/zinc/66/81/69/394668169.db2.gz AJZNOBVKTIURAK-SOUVJXGZSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1c[nH+]ccc1N ZINC000422708066 394730653 /nfs/dbraw/zinc/73/06/53/394730653.db2.gz BHWAPALWUQCBFW-LBPRGKRZSA-N 2 1 270.380 2.411 20 0 CEADMP C[N@@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000422708473 394730921 /nfs/dbraw/zinc/73/09/21/394730921.db2.gz XSRNJECYOUTVAI-YIONKMFJSA-N 2 1 265.445 2.124 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[N@@H+](C)C1CCCC1 ZINC000422736260 394748800 /nfs/dbraw/zinc/74/88/00/394748800.db2.gz GCQZWKZHEZDDGD-CYBMUJFWSA-N 2 1 290.455 2.374 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCN(C)C1CCCC1 ZINC000422736260 394748801 /nfs/dbraw/zinc/74/88/01/394748801.db2.gz GCQZWKZHEZDDGD-CYBMUJFWSA-N 2 1 290.455 2.374 20 0 CEADMP CN(CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)CC(F)(F)F ZINC000422718894 394738045 /nfs/dbraw/zinc/73/80/45/394738045.db2.gz XZKZMKJWUNOJFI-OLZOCXBDSA-N 2 1 287.329 2.215 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOC1CCCC1 ZINC000111634339 394740748 /nfs/dbraw/zinc/74/07/48/394740748.db2.gz WPJWQSQXAYKUKE-VNHYZAJKSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H](C)O1 ZINC000414279589 394741128 /nfs/dbraw/zinc/74/11/28/394741128.db2.gz JQTJIBRWPCAOEJ-KJWHEZOQSA-N 2 1 252.402 2.016 20 0 CEADMP COc1ccc(CCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000422726033 394741961 /nfs/dbraw/zinc/74/19/61/394741961.db2.gz YYZZYPKLBMXFIU-ZFWWWQNUSA-N 2 1 292.423 2.224 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000335147990 394742929 /nfs/dbraw/zinc/74/29/29/394742929.db2.gz QVAISTOFNDXVNO-LSDHHAIUSA-N 2 1 288.435 2.484 20 0 CEADMP CCC(CC)[N@@H+](CC(C)C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414697817 394749375 /nfs/dbraw/zinc/74/93/75/394749375.db2.gz CDFXASJUARSSTL-HNNXBMFYSA-N 2 1 297.487 2.330 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000414057134 394688320 /nfs/dbraw/zinc/68/83/20/394688320.db2.gz FHJOTEGQYRCRGK-UKRRQHHQSA-N 2 1 289.423 2.095 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414066522 394692535 /nfs/dbraw/zinc/69/25/35/394692535.db2.gz HCGMQTFUGYOCMQ-OLZOCXBDSA-N 2 1 287.411 2.321 20 0 CEADMP Cc1ccc([C@@H]2CSCC[N@H+]2CCOCC[NH3+])cc1 ZINC000357074823 394694345 /nfs/dbraw/zinc/69/43/45/394694345.db2.gz NKFNFVASMYEZQP-HNNXBMFYSA-N 2 1 280.437 2.060 20 0 CEADMP C[C@@H]1C[C@H](C(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000357094824 394695366 /nfs/dbraw/zinc/69/53/66/394695366.db2.gz NKDLJUCXLLSOSK-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)[C@@H]1C[C@@H]1C ZINC000414083974 394697982 /nfs/dbraw/zinc/69/79/82/394697982.db2.gz XIXITHURPRWGLH-CFVMTHIKSA-N 2 1 254.418 2.121 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)[C@@H]1C[C@H]1C ZINC000414083981 394698313 /nfs/dbraw/zinc/69/83/13/394698313.db2.gz XIXITHURPRWGLH-YUELXQCFSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc3c2OCCO3)C[C@H]1C[NH3+] ZINC000422563907 394712403 /nfs/dbraw/zinc/71/24/03/394712403.db2.gz UWMVPJNFQOWXAW-VNHYZAJKSA-N 2 1 290.407 2.263 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OCC)C2)[C@@H](C)C1 ZINC000414150018 394717407 /nfs/dbraw/zinc/71/74/07/394717407.db2.gz ULVMFXWIYMFQER-NXOAAHMSSA-N 2 1 298.471 2.281 20 0 CEADMP CCOc1ccc(OCC[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422633891 394722210 /nfs/dbraw/zinc/72/22/10/394722210.db2.gz IZDOLHZRLIKIQA-UHFFFAOYSA-N 2 1 290.407 2.292 20 0 CEADMP C[C@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)C1C[NH2+]C1 ZINC000335022353 394728184 /nfs/dbraw/zinc/72/81/84/394728184.db2.gz DBHFBBBDBGSWSA-ZANVPECISA-N 2 1 266.772 2.361 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000358749323 394728789 /nfs/dbraw/zinc/72/87/89/394728789.db2.gz KMMRKXAKDVYXQT-GZBFAFLISA-N 2 1 276.428 2.260 20 0 CEADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000335254547 394753795 /nfs/dbraw/zinc/75/37/95/394753795.db2.gz YGOAJBZVIBMHJG-MRXNPFEDSA-N 2 1 274.408 2.182 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422744623 394754160 /nfs/dbraw/zinc/75/41/60/394754160.db2.gz KKFGIJAHJBBVAD-INMHGKMJSA-N 2 1 273.424 2.386 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422744387 394754307 /nfs/dbraw/zinc/75/43/07/394754307.db2.gz SSAMYUGYLQWAEA-ZACQAIPSSA-N 2 1 273.424 2.120 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000422744387 394754309 /nfs/dbraw/zinc/75/43/09/394754309.db2.gz SSAMYUGYLQWAEA-ZACQAIPSSA-N 2 1 273.424 2.120 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000422747277 394756373 /nfs/dbraw/zinc/75/63/73/394756373.db2.gz PQWMUZKZRMQPSR-CJNGLKHVSA-N 2 1 298.386 2.463 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000422747279 394756452 /nfs/dbraw/zinc/75/64/52/394756452.db2.gz PQWMUZKZRMQPSR-XJKSGUPXSA-N 2 1 298.386 2.463 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1NCC[N@H+](C)Cc1ccccc1 ZINC000422750463 394758807 /nfs/dbraw/zinc/75/88/07/394758807.db2.gz AYWAHXAKVXOFRP-DOTOQJQBSA-N 2 1 275.440 2.096 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1NCC[N@@H+](C)Cc1ccccc1 ZINC000422750463 394758811 /nfs/dbraw/zinc/75/88/11/394758811.db2.gz AYWAHXAKVXOFRP-DOTOQJQBSA-N 2 1 275.440 2.096 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414834556 394761580 /nfs/dbraw/zinc/76/15/80/394761580.db2.gz SREFXGIEFVZHTQ-CQSZACIVSA-N 2 1 278.444 2.344 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414840044 394764842 /nfs/dbraw/zinc/76/48/42/394764842.db2.gz MCPGQSRHNFLMAT-CYBMUJFWSA-N 2 1 270.417 2.073 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422763650 394767489 /nfs/dbraw/zinc/76/74/89/394767489.db2.gz UGSZMHIJUFCTLP-UAGQMJEPSA-N 2 1 275.440 2.019 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000359661217 394768648 /nfs/dbraw/zinc/76/86/48/394768648.db2.gz MZIGPXSPDKCLCQ-BPQIPLTHSA-N 2 1 287.451 2.363 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000359661217 394768652 /nfs/dbraw/zinc/76/86/52/394768652.db2.gz MZIGPXSPDKCLCQ-BPQIPLTHSA-N 2 1 287.451 2.363 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000414848918 394769624 /nfs/dbraw/zinc/76/96/24/394769624.db2.gz XPQIBJPUULTBNG-HNNXBMFYSA-N 2 1 275.440 2.096 20 0 CEADMP C[C@H]([NH2+]CCOC1CCCCCC1)[C@H]1CCC[NH2+]1 ZINC000422772578 394774384 /nfs/dbraw/zinc/77/43/84/394774384.db2.gz ZLGTZZMQFIURAE-DZGCQCFKSA-N 2 1 254.418 2.456 20 0 CEADMP [NH3+]CC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000335567399 394775839 /nfs/dbraw/zinc/77/58/39/394775839.db2.gz WLGQIUUGYXPCBI-GFCCVEGCSA-N 2 1 269.186 2.375 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000422777094 394776283 /nfs/dbraw/zinc/77/62/83/394776283.db2.gz FEJBEWXVKBNTGI-OHFALNGGSA-N 2 1 275.440 2.017 20 0 CEADMP C[C@H]1C[C@@H](C[NH2+]CC2(N)CCCCCC2)CC[NH2+]1 ZINC000414863700 394777130 /nfs/dbraw/zinc/77/71/30/394777130.db2.gz YFAOTICSWTXKFX-KBPBESRZSA-N 2 1 253.434 2.016 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)Oc1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422780742 394779336 /nfs/dbraw/zinc/77/93/36/394779336.db2.gz DHIYFSOSUMVOMS-ZOWXZIJZSA-N 2 1 266.360 2.323 20 0 CEADMP CCC[NH2+]CCN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414872856 394781680 /nfs/dbraw/zinc/78/16/80/394781680.db2.gz QJTZNUPDQCSLDC-WBVHZDCISA-N 2 1 275.440 2.411 20 0 CEADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCCSC2)c1 ZINC000414873200 394781987 /nfs/dbraw/zinc/78/19/87/394781987.db2.gz GWFISRFLZOKYIS-CQSZACIVSA-N 2 1 265.426 2.047 20 0 CEADMP COc1ccc(-c2n[nH]cc2C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000414873897 394782291 /nfs/dbraw/zinc/78/22/91/394782291.db2.gz AEVKJCRKUUAZMR-UHFFFAOYSA-N 2 1 286.379 2.056 20 0 CEADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000359987242 394782423 /nfs/dbraw/zinc/78/24/23/394782423.db2.gz NFMCJYBRRIBYNX-UKRRQHHQSA-N 2 1 277.412 2.299 20 0 CEADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000359987242 394782425 /nfs/dbraw/zinc/78/24/25/394782425.db2.gz NFMCJYBRRIBYNX-UKRRQHHQSA-N 2 1 277.412 2.299 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C12CCC2 ZINC000422786525 394784825 /nfs/dbraw/zinc/78/48/25/394784825.db2.gz SKFVWFMPMLHRRP-APIJFGDWSA-N 2 1 266.429 2.454 20 0 CEADMP C[C@](O)(C[NH2+]C1CC[NH+](C2CCCC2)CC1)C(F)(F)F ZINC000360060954 394786459 /nfs/dbraw/zinc/78/64/59/394786459.db2.gz RLNXJEJYUFBYFN-ZDUSSCGKSA-N 2 1 294.361 2.296 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000422792277 394790594 /nfs/dbraw/zinc/79/05/94/394790594.db2.gz WBFPXOZMLOOXLB-DOTOQJQBSA-N 2 1 275.440 2.096 20 0 CEADMP C[C@H]1C[C@H](N[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414890519 394790612 /nfs/dbraw/zinc/79/06/12/394790612.db2.gz MWUVIBAJXCKTOM-JQHSSLGASA-N 2 1 287.451 2.381 20 0 CEADMP COc1ccccc1C1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422844157 394824461 /nfs/dbraw/zinc/82/44/61/394824461.db2.gz KZJJYIOSGWSLLW-HIFRSBDPSA-N 2 1 274.408 2.457 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422809744 394801643 /nfs/dbraw/zinc/80/16/43/394801643.db2.gz QKJPYRLNXYWBPQ-SJORKVTESA-N 3 1 273.424 2.252 20 0 CEADMP c1cc(C[NH2+][C@H]2CCC[NH2+]CC2)c2c(c1)OCCCO2 ZINC000414916131 394801769 /nfs/dbraw/zinc/80/17/69/394801769.db2.gz NYKCTHRERHCVBX-AWEZNQCLSA-N 2 1 276.380 2.080 20 0 CEADMP CC[C@H](CN[C@H]1CCC[C@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422810658 394803077 /nfs/dbraw/zinc/80/30/77/394803077.db2.gz SCTSSBWAESTVDC-KURKYZTESA-N 2 1 287.451 2.293 20 0 CEADMP CC[C@H](CN[C@H]1CCC[C@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422810658 394803080 /nfs/dbraw/zinc/80/30/80/394803080.db2.gz SCTSSBWAESTVDC-KURKYZTESA-N 2 1 287.451 2.293 20 0 CEADMP CC[C@@H](NCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422810498 394803249 /nfs/dbraw/zinc/80/32/49/394803249.db2.gz UKVNKULGRGPRNB-MSOLQXFVSA-N 2 1 287.451 2.165 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000121939910 394806023 /nfs/dbraw/zinc/80/60/23/394806023.db2.gz LGFSVUXHUOWNND-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@@H](NCC[N@@H+](C)Cc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422816973 394808299 /nfs/dbraw/zinc/80/82/99/394808299.db2.gz GNIIQGZPGCQRQL-RHSMWYFYSA-N 2 1 293.430 2.378 20 0 CEADMP C[C@H](CCN[C@H]1C[NH2+]CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000422818236 394809814 /nfs/dbraw/zinc/80/98/14/394809814.db2.gz FSXOVZTWNQDCGV-NUJGCVRESA-N 2 1 289.467 2.485 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nccn2Cc2ccccc2)C1 ZINC000414932355 394810032 /nfs/dbraw/zinc/81/00/32/394810032.db2.gz VOQQSOVPJNRQGV-HOTGVXAUSA-N 2 1 284.407 2.291 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000414940517 394813340 /nfs/dbraw/zinc/81/33/40/394813340.db2.gz BQJUBWRQTXITDM-UKRRQHHQSA-N 2 1 276.428 2.156 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)CC[NH2+]1 ZINC000414941513 394814123 /nfs/dbraw/zinc/81/41/23/394814123.db2.gz CVXQEBQTRZZLNA-BXUZGUMPSA-N 2 1 271.364 2.171 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422833279 394817951 /nfs/dbraw/zinc/81/79/51/394817951.db2.gz MBYIXTCOQKQQKM-IRXDYDNUSA-N 2 1 298.434 2.343 20 0 CEADMP CC(C)CC[NH+]1CCC(CN[C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422834506 394818971 /nfs/dbraw/zinc/81/89/71/394818971.db2.gz HPGJKDRJRMBCIR-RDJZCZTQSA-N 2 1 281.488 2.475 20 0 CEADMP C[N@H+](CCC[NH3+])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000414747346 394749948 /nfs/dbraw/zinc/74/99/48/394749948.db2.gz MUZZYBWOMGWNLY-CHWSQXEVSA-N 2 1 289.206 2.232 20 0 CEADMP C[N@@H+](CCC[NH3+])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000414747346 394749950 /nfs/dbraw/zinc/74/99/50/394749950.db2.gz MUZZYBWOMGWNLY-CHWSQXEVSA-N 2 1 289.206 2.232 20 0 CEADMP COc1cccc(OCCC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422926341 394864080 /nfs/dbraw/zinc/86/40/80/394864080.db2.gz WMSVWGRSANLBMU-CJNGLKHVSA-N 2 1 278.396 2.194 20 0 CEADMP CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000415053727 394866338 /nfs/dbraw/zinc/86/63/38/394866338.db2.gz PARPVKARQXZRPX-GOEBONIOSA-N 2 1 289.423 2.444 20 0 CEADMP CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000415053727 394866342 /nfs/dbraw/zinc/86/63/42/394866342.db2.gz PARPVKARQXZRPX-GOEBONIOSA-N 2 1 289.423 2.444 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000415058136 394868817 /nfs/dbraw/zinc/86/88/17/394868817.db2.gz SPVSOVHTHDOAHZ-CQSZACIVSA-N 2 1 263.385 2.108 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000422992132 394876306 /nfs/dbraw/zinc/87/63/06/394876306.db2.gz BYSWQJLQRFAFJQ-XHSDSOJGSA-N 3 1 267.461 2.214 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422992749 394877693 /nfs/dbraw/zinc/87/76/93/394877693.db2.gz DJJYZYNLZVVDHY-XHSDSOJGSA-N 2 1 267.461 2.085 20 0 CEADMP COc1ccc(OC)c(CCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423008596 394878867 /nfs/dbraw/zinc/87/88/67/394878867.db2.gz AMTQJPLDPARXRD-XJKSGUPXSA-N 2 1 292.423 2.224 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422861366 394835133 /nfs/dbraw/zinc/83/51/33/394835133.db2.gz JGERQPUKZISMLI-IAQYHMDHSA-N 2 1 250.361 2.264 20 0 CEADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000361804198 394836328 /nfs/dbraw/zinc/83/63/28/394836328.db2.gz LMGUAMLBJPSPFH-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000422866241 394838407 /nfs/dbraw/zinc/83/84/07/394838407.db2.gz PXGQOFZVFTZGJC-LVQVYYBASA-N 2 1 267.461 2.214 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])N1CCC[C@@H](C)C1 ZINC000422866241 394838409 /nfs/dbraw/zinc/83/84/09/394838409.db2.gz PXGQOFZVFTZGJC-LVQVYYBASA-N 2 1 267.461 2.214 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000422877107 394844579 /nfs/dbraw/zinc/84/45/79/394844579.db2.gz QZSFURQQSMJYJD-QSJFSLAZSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000422877107 394844583 /nfs/dbraw/zinc/84/45/83/394844583.db2.gz QZSFURQQSMJYJD-QSJFSLAZSA-N 2 1 279.472 2.370 20 0 CEADMP Cc1nc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)sc1C ZINC000422886924 394849987 /nfs/dbraw/zinc/84/99/87/394849987.db2.gz AALQKLSETFPVKT-DGCLKSJQSA-N 2 1 267.442 2.423 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000422898674 394855998 /nfs/dbraw/zinc/85/59/98/394855998.db2.gz MNZZWGPOPHOMEF-JKIFEVAISA-N 2 1 291.414 2.240 20 0 CEADMP CC(C)n1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415041233 394860722 /nfs/dbraw/zinc/86/07/22/394860722.db2.gz LFGUUXXNOYVPPH-CVEARBPZSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415041233 394860726 /nfs/dbraw/zinc/86/07/26/394860726.db2.gz LFGUUXXNOYVPPH-CVEARBPZSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1(C)C ZINC000363951480 394889609 /nfs/dbraw/zinc/88/96/09/394889609.db2.gz HCSHJNWTIUBCPZ-YHUYYLMFSA-N 2 1 296.455 2.031 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1(C)C ZINC000363951480 394889611 /nfs/dbraw/zinc/88/96/11/394889611.db2.gz HCSHJNWTIUBCPZ-YHUYYLMFSA-N 2 1 296.455 2.031 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1C ZINC000415101364 394890438 /nfs/dbraw/zinc/89/04/38/394890438.db2.gz BGNKGIJIUBYZTE-IUODEOHRSA-N 2 1 278.444 2.327 20 0 CEADMP COCCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415131015 394900001 /nfs/dbraw/zinc/90/00/01/394900001.db2.gz RRNXOGLKSOIYPA-HOCLYGCPSA-N 2 1 292.423 2.129 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423359187 394900465 /nfs/dbraw/zinc/90/04/65/394900465.db2.gz CVBGAIOOWVOPRT-CFVMTHIKSA-N 2 1 262.397 2.307 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C[C@@H]1C[NH3+] ZINC000415134313 394901477 /nfs/dbraw/zinc/90/14/77/394901477.db2.gz VYHKQCPUEGHNBZ-NEPJUHHUSA-N 2 1 264.417 2.124 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC[C@H]2C2CCC2)CC1(C)C ZINC000338010211 394903644 /nfs/dbraw/zinc/90/36/44/394903644.db2.gz JAYIFUABRURPAF-HOTGVXAUSA-N 2 1 279.472 2.181 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@H]2CCC[C@@H]21 ZINC000423386605 394908940 /nfs/dbraw/zinc/90/89/40/394908940.db2.gz LZXIIINIDLMBHC-SQNIBIBYSA-N 3 1 285.435 2.252 20 0 CEADMP C[N@@H+]1CC[C@H](NCc2ccc3c(c2)C[NH2+]C3)[C@H]2CCC[C@@H]21 ZINC000423386605 394908946 /nfs/dbraw/zinc/90/89/46/394908946.db2.gz LZXIIINIDLMBHC-SQNIBIBYSA-N 2 1 285.435 2.252 20 0 CEADMP C[N@H+]1CC[C@H](NCc2ccc3c(c2)C[NH2+]C3)[C@H]2CCC[C@@H]21 ZINC000423386605 394908951 /nfs/dbraw/zinc/90/89/51/394908951.db2.gz LZXIIINIDLMBHC-SQNIBIBYSA-N 2 1 285.435 2.252 20 0 CEADMP CN1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@H]2CCC[C@@H]21 ZINC000423386605 394908956 /nfs/dbraw/zinc/90/89/56/394908956.db2.gz LZXIIINIDLMBHC-SQNIBIBYSA-N 2 1 285.435 2.252 20 0 CEADMP CSC[C@@H](O)C[N@H+]1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000364484088 394909434 /nfs/dbraw/zinc/90/94/34/394909434.db2.gz FNLGXGMXEXUVDM-KGLIPLIRSA-N 2 1 297.468 2.367 20 0 CEADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@@H]2CC(C)(C)C)CC1 ZINC000338236901 394910323 /nfs/dbraw/zinc/91/03/23/394910323.db2.gz NFPNBKDHJJOTTQ-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2CC(C)(C)C)CC1 ZINC000338236901 394910327 /nfs/dbraw/zinc/91/03/27/394910327.db2.gz NFPNBKDHJJOTTQ-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2CC(C)(C)C)CC1 ZINC000338236901 394910331 /nfs/dbraw/zinc/91/03/31/394910331.db2.gz NFPNBKDHJJOTTQ-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)[C@@H](C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338302096 394912502 /nfs/dbraw/zinc/91/25/02/394912502.db2.gz AITKPXVBHBFFRJ-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H](C)[C@@H](C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338302096 394912506 /nfs/dbraw/zinc/91/25/06/394912506.db2.gz AITKPXVBHBFFRJ-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cnn1C(C)C ZINC000423395803 394913867 /nfs/dbraw/zinc/91/38/67/394913867.db2.gz NOHDIVIUMSCTLA-XUJVJEKNSA-N 2 1 264.417 2.421 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1C[NH2+]C2 ZINC000423399767 394915556 /nfs/dbraw/zinc/91/55/56/394915556.db2.gz UZABDDDIOCAGPB-IAGOWNOFSA-N 3 1 271.408 2.006 20 0 CEADMP c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1C[NH2+]C2 ZINC000423399767 394915558 /nfs/dbraw/zinc/91/55/58/394915558.db2.gz UZABDDDIOCAGPB-IAGOWNOFSA-N 2 1 271.408 2.006 20 0 CEADMP c1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1C[NH2+]C2 ZINC000423399767 394915563 /nfs/dbraw/zinc/91/55/63/394915563.db2.gz UZABDDDIOCAGPB-IAGOWNOFSA-N 2 1 271.408 2.006 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000423441211 394921608 /nfs/dbraw/zinc/92/16/08/394921608.db2.gz BBBKRWFBHYUFMM-JSGCOSHPSA-N 2 1 258.369 2.260 20 0 CEADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]([NH3+])CC)CCC2 ZINC000423460046 394926398 /nfs/dbraw/zinc/92/63/98/394926398.db2.gz IMLHLBMHYUUYNJ-NXEZZACHSA-N 2 1 253.415 2.410 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423487115 394932204 /nfs/dbraw/zinc/93/22/04/394932204.db2.gz UZQWWRRRLRFORO-XQQFMLRXSA-N 2 1 276.371 2.026 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccsc1 ZINC000423492607 394935321 /nfs/dbraw/zinc/93/53/21/394935321.db2.gz NWQGKUKCNCUQOO-QWHCGFSZSA-N 2 1 254.399 2.167 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)s1 ZINC000423498762 394936287 /nfs/dbraw/zinc/93/62/87/394936287.db2.gz CAMAUKUKDUJTSO-RYUDHWBXSA-N 2 1 254.399 2.086 20 0 CEADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423522737 394943514 /nfs/dbraw/zinc/94/35/14/394943514.db2.gz ROWIYDVDMMPJDV-CJNGLKHVSA-N 2 1 278.396 2.114 20 0 CEADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000423550534 394949797 /nfs/dbraw/zinc/94/97/97/394949797.db2.gz NZWNQZFNJUBZEK-LTDKPHRXSA-N 2 1 289.467 2.407 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCn2ccnc2)C[C@@H]1c1ccccc1 ZINC000340182229 394981031 /nfs/dbraw/zinc/98/10/31/394981031.db2.gz XNTDXYJLEFIWEK-DLBZAZTESA-N 2 1 284.407 2.308 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCn2ccnc2)C[C@@H]1c1ccccc1 ZINC000340182229 394981035 /nfs/dbraw/zinc/98/10/35/394981035.db2.gz XNTDXYJLEFIWEK-DLBZAZTESA-N 2 1 284.407 2.308 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(C2CC2)c1 ZINC000340361794 394984192 /nfs/dbraw/zinc/98/41/92/394984192.db2.gz ZWNNMVYKGBLMLL-CXAGYDPISA-N 2 1 274.408 2.281 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000340361794 394984195 /nfs/dbraw/zinc/98/41/95/394984195.db2.gz ZWNNMVYKGBLMLL-CXAGYDPISA-N 2 1 274.408 2.281 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH2+]CC1 ZINC000423799928 394989684 /nfs/dbraw/zinc/98/96/84/394989684.db2.gz KXVYGYYLQDFNFV-MRXNPFEDSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](CC)[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000151704494 394977832 /nfs/dbraw/zinc/97/78/32/394977832.db2.gz ACKVNIMGRYUVFA-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP C[NH+](C)CCCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340168191 394979293 /nfs/dbraw/zinc/97/92/93/394979293.db2.gz QZMPPJICHYCJIY-DLBZAZTESA-N 2 1 275.440 2.363 20 0 CEADMP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340203402 394980375 /nfs/dbraw/zinc/98/03/75/394980375.db2.gz MZIQEULNINZMAJ-HYVNUMGLSA-N 2 1 299.422 2.092 20 0 CEADMP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340203402 394980378 /nfs/dbraw/zinc/98/03/78/394980378.db2.gz MZIQEULNINZMAJ-HYVNUMGLSA-N 2 1 299.422 2.092 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCCOCC(F)(F)F)CC[C@@H]21 ZINC000158706574 395052140 /nfs/dbraw/zinc/05/21/40/395052140.db2.gz ZYNJLPLGNPUZEL-STQMWFEESA-N 2 1 294.361 2.372 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCCOCC(F)(F)F)CC[C@@H]21 ZINC000158706574 395052145 /nfs/dbraw/zinc/05/21/45/395052145.db2.gz ZYNJLPLGNPUZEL-STQMWFEESA-N 2 1 294.361 2.372 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCOCC(F)(F)F)CC[C@@H]21 ZINC000158706574 395052150 /nfs/dbraw/zinc/05/21/50/395052150.db2.gz ZYNJLPLGNPUZEL-STQMWFEESA-N 2 1 294.361 2.372 20 0 CEADMP O[C@@H]1CC[N@@H+](CCn2ccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000425547158 395063374 /nfs/dbraw/zinc/06/33/74/395063374.db2.gz HYPFBOASQQFQFN-HUUCEWRRSA-N 2 1 291.782 2.344 20 0 CEADMP CC[C@H](O)[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000161810352 395066127 /nfs/dbraw/zinc/06/61/27/395066127.db2.gz ZFLXJRJQZYTYGJ-KKUMJFAQSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@H](O)[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000161810352 395066130 /nfs/dbraw/zinc/06/61/30/395066130.db2.gz ZFLXJRJQZYTYGJ-KKUMJFAQSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@H](O)[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000161810352 395066134 /nfs/dbraw/zinc/06/61/34/395066134.db2.gz ZFLXJRJQZYTYGJ-KKUMJFAQSA-N 2 1 254.418 2.096 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C2CCCCC2)CC1 ZINC000162293635 395073277 /nfs/dbraw/zinc/07/32/77/395073277.db2.gz FBUPPLFCEXGIRT-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)(C)COC)[C@@H](C)C1 ZINC000426417177 395074961 /nfs/dbraw/zinc/07/49/61/395074961.db2.gz PUBARHREQVUKSY-UONOGXRCSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)(C)COC)[C@@H](C)C1 ZINC000426417177 395074965 /nfs/dbraw/zinc/07/49/65/395074965.db2.gz PUBARHREQVUKSY-UONOGXRCSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)(C)COC)[C@@H](C)C1 ZINC000426417177 395074967 /nfs/dbraw/zinc/07/49/67/395074967.db2.gz PUBARHREQVUKSY-UONOGXRCSA-N 2 1 256.434 2.321 20 0 CEADMP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427127754 395092786 /nfs/dbraw/zinc/09/27/86/395092786.db2.gz HIIWYDHVGUHZSK-NVXWUHKLSA-N 2 1 274.408 2.441 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427127754 395092788 /nfs/dbraw/zinc/09/27/88/395092788.db2.gz HIIWYDHVGUHZSK-NVXWUHKLSA-N 2 1 274.408 2.441 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494675275 395133317 /nfs/dbraw/zinc/13/33/17/395133317.db2.gz UEHJDSSTHLBQOP-JKSUJKDBSA-N 2 1 295.471 2.289 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000347729928 395129110 /nfs/dbraw/zinc/12/91/10/395129110.db2.gz XUFUTMNHMYWRAU-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000347729928 395129114 /nfs/dbraw/zinc/12/91/14/395129114.db2.gz XUFUTMNHMYWRAU-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000347729928 395129118 /nfs/dbraw/zinc/12/91/18/395129118.db2.gz XUFUTMNHMYWRAU-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP C[S@](=O)C1(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CCC1 ZINC000436294680 395106345 /nfs/dbraw/zinc/10/63/45/395106345.db2.gz GHCYPZRDLGUVPM-IBGZPJMESA-N 2 1 286.485 2.140 20 0 CEADMP C[N@@H+](C[C@@H]1CC=CCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377635031 395141275 /nfs/dbraw/zinc/14/12/75/395141275.db2.gz ZLPYRYUFYGXKQH-AEFFLSMTSA-N 2 1 291.483 2.443 20 0 CEADMP C[C@@H](C[NH2+]Cc1cncc(Br)c1)C[NH+](C)C ZINC000291650239 395150414 /nfs/dbraw/zinc/15/04/14/395150414.db2.gz CPJNBABAPMTCOE-JTQLQIEISA-N 2 1 286.217 2.131 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000349194181 395161193 /nfs/dbraw/zinc/16/11/93/395161193.db2.gz RLKREUTWFPTUGX-FGTMMUONSA-N 2 1 286.419 2.025 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000178255069 395164155 /nfs/dbraw/zinc/16/41/55/395164155.db2.gz BBDAEOBQUDTNKI-CPUCHLNUSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@H](C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)C[NH+]1CCCC1 ZINC000433334386 395225587 /nfs/dbraw/zinc/22/55/87/395225587.db2.gz KUFVWKULTSFRQH-CYBMUJFWSA-N 2 1 288.395 2.491 20 0 CEADMP CC(C)[C@H]1CCC[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000438999360 395243514 /nfs/dbraw/zinc/24/35/14/395243514.db2.gz KIDNXIOFTJZVGO-SJORKVTESA-N 2 1 281.488 2.428 20 0 CEADMP Cc1ncc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000400051964 395249071 /nfs/dbraw/zinc/24/90/71/395249071.db2.gz DKLMLXWBRIFVDV-JQWIXIFHSA-N 2 1 253.415 2.271 20 0 CEADMP Cc1ncc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)s1 ZINC000400052573 395249238 /nfs/dbraw/zinc/24/92/38/395249238.db2.gz KLOYFVVXPWMPNI-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP CCCC[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000352393107 395250535 /nfs/dbraw/zinc/25/05/35/395250535.db2.gz YPBBTAFHGKWWLD-AWEZNQCLSA-N 2 1 295.471 2.240 20 0 CEADMP C(C[C@@H]1CCOC1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000437762345 395196903 /nfs/dbraw/zinc/19/69/03/395196903.db2.gz IWMXEOIVQZBIKF-MRXNPFEDSA-N 2 1 296.455 2.038 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)CC[N@H+]1C ZINC000433098172 395197724 /nfs/dbraw/zinc/19/77/24/395197724.db2.gz SFRQZTKKOXVUHD-UONOGXRCSA-N 2 1 266.429 2.002 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397317307 395222087 /nfs/dbraw/zinc/22/20/87/395222087.db2.gz RMWXLJQSKYIBDP-LVQVYYBASA-N 2 1 295.471 2.083 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397317307 395222094 /nfs/dbraw/zinc/22/20/94/395222094.db2.gz RMWXLJQSKYIBDP-LVQVYYBASA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)O[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1(C)C ZINC000185225519 395278040 /nfs/dbraw/zinc/27/80/40/395278040.db2.gz UIMODEDAXNZBIQ-GJZGRUSLSA-N 2 1 298.471 2.279 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)sn1 ZINC000404453060 395284270 /nfs/dbraw/zinc/28/42/70/395284270.db2.gz HRDXHLXXBPYCSV-LBPRGKRZSA-N 2 1 253.415 2.271 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)sn1 ZINC000404453060 395284273 /nfs/dbraw/zinc/28/42/73/395284273.db2.gz HRDXHLXXBPYCSV-LBPRGKRZSA-N 2 1 253.415 2.271 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2cccc(OC)c2)C1 ZINC000420277266 395289896 /nfs/dbraw/zinc/28/98/96/395289896.db2.gz STOWWYCJZLFHGG-AWEZNQCLSA-N 2 1 278.396 2.005 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2cccc(OC)c2)C1 ZINC000420277266 395289899 /nfs/dbraw/zinc/28/98/99/395289899.db2.gz STOWWYCJZLFHGG-AWEZNQCLSA-N 2 1 278.396 2.005 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000420325496 395327719 /nfs/dbraw/zinc/32/77/19/395327719.db2.gz WQFONBIUUGESTP-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP C[C@](C[NH3+])([NH2+]CCCOCc1ccccc1)C1CC1 ZINC000420283541 395293590 /nfs/dbraw/zinc/29/35/90/395293590.db2.gz CAFNNWHDVJQJPW-MRXNPFEDSA-N 2 1 262.397 2.310 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000420325496 395327721 /nfs/dbraw/zinc/32/77/21/395327721.db2.gz WQFONBIUUGESTP-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420287962 395297209 /nfs/dbraw/zinc/29/72/09/395297209.db2.gz GUHYTHHIUQJVNK-INIZCTEOSA-N 2 1 297.402 2.441 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420287962 395297212 /nfs/dbraw/zinc/29/72/12/395297212.db2.gz GUHYTHHIUQJVNK-INIZCTEOSA-N 2 1 297.402 2.441 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187023417 395297381 /nfs/dbraw/zinc/29/73/81/395297381.db2.gz YSVSFPWMZYPCOX-STQMWFEESA-N 2 1 256.459 2.450 20 0 CEADMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)[NH+](CC)CC ZINC000434418777 395297648 /nfs/dbraw/zinc/29/76/48/395297648.db2.gz FJRNPKIKTYJLKK-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP COc1cccc(OCC[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000420292593 395299343 /nfs/dbraw/zinc/29/93/43/395299343.db2.gz PPZNRRRJFDSTLF-INIZCTEOSA-N 2 1 280.412 2.379 20 0 CEADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000420291868 395299604 /nfs/dbraw/zinc/29/96/04/395299604.db2.gz OEEZTYPURUXBSL-ZDUSSCGKSA-N 2 1 283.460 2.083 20 0 CEADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000420291868 395299606 /nfs/dbraw/zinc/29/96/06/395299606.db2.gz OEEZTYPURUXBSL-ZDUSSCGKSA-N 2 1 283.460 2.083 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000353509545 395299875 /nfs/dbraw/zinc/29/98/75/395299875.db2.gz HLOAXCJEAXEUPD-JYJNAYRXSA-N 2 1 295.471 2.145 20 0 CEADMP COC(=O)[C@H](c1ccccc1C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000420296709 395302071 /nfs/dbraw/zinc/30/20/71/395302071.db2.gz QRAHOJCKBAHMGP-CJNGLKHVSA-N 2 1 290.407 2.268 20 0 CEADMP COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000420296710 395302325 /nfs/dbraw/zinc/30/23/25/395302325.db2.gz QRAHOJCKBAHMGP-CZUORRHYSA-N 2 1 290.407 2.268 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000420298197 395303481 /nfs/dbraw/zinc/30/34/81/395303481.db2.gz GZOLSMXMERIAPR-XHSDSOJGSA-N 2 1 274.408 2.469 20 0 CEADMP C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420299245 395303602 /nfs/dbraw/zinc/30/36/02/395303602.db2.gz IMVBVTLIMDXBCE-HLLBOEOZSA-N 2 1 274.408 2.448 20 0 CEADMP COc1ccccc1[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420299625 395305684 /nfs/dbraw/zinc/30/56/84/395305684.db2.gz JCQTVHOFGHDQJJ-CABCVRRESA-N 2 1 274.408 2.484 20 0 CEADMP c1cc([C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cs1 ZINC000420299826 395305718 /nfs/dbraw/zinc/30/57/18/395305718.db2.gz JMCSCCHTHYKIAU-GXTWGEPZSA-N 2 1 266.410 2.121 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000420300963 395306299 /nfs/dbraw/zinc/30/62/99/395306299.db2.gz IEWPTGPRUVBUGE-UKRRQHHQSA-N 2 1 292.423 2.237 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000420300963 395306304 /nfs/dbraw/zinc/30/63/04/395306304.db2.gz IEWPTGPRUVBUGE-UKRRQHHQSA-N 2 1 292.423 2.237 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)C[C@H]2CCCOC2)cc1 ZINC000420301060 395306484 /nfs/dbraw/zinc/30/64/84/395306484.db2.gz KYLDFOCJZSLZKF-ZBFHGGJFSA-N 2 1 292.423 2.096 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420302844 395307851 /nfs/dbraw/zinc/30/78/51/395307851.db2.gz GSIAWGHUTUJORJ-UHFFFAOYSA-N 2 1 282.428 2.185 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H](CC)CN1C(C)=O ZINC000420310558 395314977 /nfs/dbraw/zinc/31/49/77/395314977.db2.gz VDUYWBLVKXKLKK-GVDBMIGSSA-N 2 1 295.471 2.097 20 0 CEADMP c1n[nH]cc1[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420314268 395318329 /nfs/dbraw/zinc/31/83/29/395318329.db2.gz JVJRVSZKPNTRIS-DZGCQCFKSA-N 2 1 262.401 2.326 20 0 CEADMP FCCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000420315031 395318901 /nfs/dbraw/zinc/31/89/01/395318901.db2.gz RLENAQIVLDXGQJ-OAHLLOKOSA-N 2 1 265.376 2.385 20 0 CEADMP FCCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000420315031 395318904 /nfs/dbraw/zinc/31/89/04/395318904.db2.gz RLENAQIVLDXGQJ-OAHLLOKOSA-N 2 1 265.376 2.385 20 0 CEADMP C(C[N@H+]1CCC[C@H]1CN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000420317213 395319746 /nfs/dbraw/zinc/31/97/46/395319746.db2.gz MRBFLNIJYMTEBE-SJORKVTESA-N 2 1 279.472 2.326 20 0 CEADMP C(CN1CCC[C@H]1C[NH+]1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000420317213 395319751 /nfs/dbraw/zinc/31/97/51/395319751.db2.gz MRBFLNIJYMTEBE-SJORKVTESA-N 2 1 279.472 2.326 20 0 CEADMP CCC[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000420319486 395321513 /nfs/dbraw/zinc/32/15/13/395321513.db2.gz PPPIJBNAGQCVHK-GOSISDBHSA-N 2 1 287.451 2.291 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000401890575 395264952 /nfs/dbraw/zinc/26/49/52/395264952.db2.gz SETYWZCDUAJJAS-PVAVHDDUSA-N 2 1 274.408 2.276 20 0 CEADMP C(C[N@H+]1CCO[C@H](C2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420368817 395355815 /nfs/dbraw/zinc/35/58/15/395355815.db2.gz ILLMXMNMCIKCES-ZBFHGGJFSA-N 2 1 266.429 2.267 20 0 CEADMP CCn1ccnc1[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420374112 395360262 /nfs/dbraw/zinc/36/02/62/395360262.db2.gz NGNDIKHXTQCFCR-CABCVRRESA-N 2 1 276.428 2.430 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000420376279 395362476 /nfs/dbraw/zinc/36/24/76/395362476.db2.gz QFXTZKREMNFWBD-CQSZACIVSA-N 2 1 276.428 2.008 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000420376279 395362479 /nfs/dbraw/zinc/36/24/79/395362479.db2.gz QFXTZKREMNFWBD-CQSZACIVSA-N 2 1 276.428 2.008 20 0 CEADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cocn2)CC1 ZINC000191947404 395367898 /nfs/dbraw/zinc/36/78/98/395367898.db2.gz OCYIQGSYDBNEOJ-UHFFFAOYSA-N 2 1 295.427 2.245 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cocn2)CC1 ZINC000191947404 395367901 /nfs/dbraw/zinc/36/79/01/395367901.db2.gz OCYIQGSYDBNEOJ-UHFFFAOYSA-N 2 1 295.427 2.245 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420399290 395371005 /nfs/dbraw/zinc/37/10/05/395371005.db2.gz NSDVCLMHOCFGQQ-HZPDHXFCSA-N 2 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420399290 395371009 /nfs/dbraw/zinc/37/10/09/395371009.db2.gz NSDVCLMHOCFGQQ-HZPDHXFCSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420399290 395371012 /nfs/dbraw/zinc/37/10/12/395371012.db2.gz NSDVCLMHOCFGQQ-HZPDHXFCSA-N 3 1 276.428 2.046 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C(C)C ZINC000420408298 395373945 /nfs/dbraw/zinc/37/39/45/395373945.db2.gz WBNHGUZNTGQNSR-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C(C)C ZINC000420408298 395373947 /nfs/dbraw/zinc/37/39/47/395373947.db2.gz WBNHGUZNTGQNSR-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4c[nH]nc43)CC[C@H]21 ZINC000355236271 395377469 /nfs/dbraw/zinc/37/74/69/395377469.db2.gz KBMSVDLJXUQHKU-GDBMZVCRSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4c[nH]nc43)CC[C@H]21 ZINC000355236271 395377475 /nfs/dbraw/zinc/37/74/75/395377475.db2.gz KBMSVDLJXUQHKU-GDBMZVCRSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4c[nH]nc43)CC[C@H]21 ZINC000355236271 395377484 /nfs/dbraw/zinc/37/74/84/395377484.db2.gz KBMSVDLJXUQHKU-GDBMZVCRSA-N 2 1 284.407 2.479 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442773660 395393834 /nfs/dbraw/zinc/39/38/34/395393834.db2.gz XQRNAMMYJRWUOW-AAEUAGOBSA-N 2 1 270.380 2.107 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000435884033 395394722 /nfs/dbraw/zinc/39/47/22/395394722.db2.gz DAVHGTNJPWIOSK-AWEZNQCLSA-N 2 1 276.380 2.204 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000435884033 395394727 /nfs/dbraw/zinc/39/47/27/395394727.db2.gz DAVHGTNJPWIOSK-AWEZNQCLSA-N 2 1 276.380 2.204 20 0 CEADMP CC(C)n1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420329178 395330794 /nfs/dbraw/zinc/33/07/94/395330794.db2.gz NTZWJWLTQHDCGL-GJZGRUSLSA-N 2 1 276.428 2.286 20 0 CEADMP C[C@H](c1ccc2ccccc2c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420352235 395341476 /nfs/dbraw/zinc/34/14/76/395341476.db2.gz LUDDPTAKCOWOJV-WBMJQRKESA-N 2 1 258.365 2.152 20 0 CEADMP C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362646 395349782 /nfs/dbraw/zinc/34/97/82/395349782.db2.gz BAAXVBBNXLOWTA-BQFCYCMXSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362646 395349788 /nfs/dbraw/zinc/34/97/88/395349788.db2.gz BAAXVBBNXLOWTA-BQFCYCMXSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362646 395349790 /nfs/dbraw/zinc/34/97/90/395349790.db2.gz BAAXVBBNXLOWTA-BQFCYCMXSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362646 395349794 /nfs/dbraw/zinc/34/97/94/395349794.db2.gz BAAXVBBNXLOWTA-BQFCYCMXSA-N 2 1 291.483 2.325 20 0 CEADMP C(C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362646 395349796 /nfs/dbraw/zinc/34/97/96/395349796.db2.gz BAAXVBBNXLOWTA-BQFCYCMXSA-N 2 1 291.483 2.325 20 0 CEADMP C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362646 395349801 /nfs/dbraw/zinc/34/98/01/395349801.db2.gz BAAXVBBNXLOWTA-BQFCYCMXSA-N 2 1 291.483 2.325 20 0 CEADMP C(CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362646 395349803 /nfs/dbraw/zinc/34/98/03/395349803.db2.gz BAAXVBBNXLOWTA-BQFCYCMXSA-N 2 1 291.483 2.325 20 0 CEADMP CCC[C@@]1(CO)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444770929 395453735 /nfs/dbraw/zinc/45/37/35/395453735.db2.gz MOQWMPVCLNZGPI-INIZCTEOSA-N 2 1 268.445 2.489 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOC[C@@H]2C)[C@H](C)C1 ZINC000195036919 395456974 /nfs/dbraw/zinc/45/69/74/395456974.db2.gz ALPDIYHXNQPSEX-YYIAUSFCSA-N 2 1 298.471 2.138 20 0 CEADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC000436049599 395403652 /nfs/dbraw/zinc/40/36/52/395403652.db2.gz HSUGKJJPEPRTSC-MRXNPFEDSA-N 2 1 295.471 2.276 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnoc2C)C[C@@H]1C ZINC000445820238 395471131 /nfs/dbraw/zinc/47/11/31/395471131.db2.gz SGJPMABCPWVHMV-SMDDNHRTSA-N 2 1 251.374 2.288 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000448553012 395515152 /nfs/dbraw/zinc/51/51/52/395515152.db2.gz ZPMXQHKUXMYULT-CQSZACIVSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000448553012 395515154 /nfs/dbraw/zinc/51/51/54/395515154.db2.gz ZPMXQHKUXMYULT-CQSZACIVSA-N 2 1 265.401 2.065 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](COC)C2CCCC2)C1 ZINC000446750060 395497818 /nfs/dbraw/zinc/49/78/18/395497818.db2.gz DPGZFVUZJJSFDZ-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000446817647 395499036 /nfs/dbraw/zinc/49/90/36/395499036.db2.gz JGOMKORLLHWDKB-BRWVUGGUSA-N 2 1 276.424 2.009 20 0 CEADMP CCCCNC(=O)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000573834514 395620528 /nfs/dbraw/zinc/62/05/28/395620528.db2.gz HHQQDAGIXOIHLC-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451414782 395614762 /nfs/dbraw/zinc/61/47/62/395614762.db2.gz DPRKPBDHODYATH-XHSDSOJGSA-N 2 1 277.412 2.207 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451414782 395614765 /nfs/dbraw/zinc/61/47/65/395614765.db2.gz DPRKPBDHODYATH-XHSDSOJGSA-N 2 1 277.412 2.207 20 0 CEADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC3CCCCCC3)C2)nn1 ZINC000568367715 395555960 /nfs/dbraw/zinc/55/59/60/395555960.db2.gz PUXCCOWWHSYHBI-INIZCTEOSA-N 2 1 291.443 2.344 20 0 CEADMP CC[C@@H]([NH3+])CNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000449608683 395557386 /nfs/dbraw/zinc/55/73/86/395557386.db2.gz JLZNAXIZEJOUQB-OAHLLOKOSA-N 2 1 289.423 2.138 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000568647339 395564693 /nfs/dbraw/zinc/56/46/93/395564693.db2.gz QVDLUEVYTUIKCM-CABCVRRESA-N 3 1 255.450 2.355 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)[C@H](C)C1 ZINC000451140066 395585190 /nfs/dbraw/zinc/58/51/90/395585190.db2.gz TWNVCJKTAPNWMT-BPKGMFCQSA-N 2 1 298.471 2.279 20 0 CEADMP CC[N@H+](Cc1ccc(Cl)cc1)C[C@@](C)(O)C[NH2+]C ZINC000574644804 395634303 /nfs/dbraw/zinc/63/43/03/395634303.db2.gz XIRGZEIJLYTVCE-AWEZNQCLSA-N 2 1 270.804 2.132 20 0 CEADMP CC[N@@H+](Cc1ccc(Cl)cc1)C[C@@](C)(O)C[NH2+]C ZINC000574644804 395634304 /nfs/dbraw/zinc/63/43/04/395634304.db2.gz XIRGZEIJLYTVCE-AWEZNQCLSA-N 2 1 270.804 2.132 20 0 CEADMP C[C@H](CCc1ccccc1)C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647507748 395723733 /nfs/dbraw/zinc/72/37/33/395723733.db2.gz WZGASCULHZUKJV-INMHGKMJSA-N 2 1 276.424 2.303 20 0 CEADMP C[C@H](CCc1ccccc1)C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647507748 395723735 /nfs/dbraw/zinc/72/37/35/395723735.db2.gz WZGASCULHZUKJV-INMHGKMJSA-N 2 1 276.424 2.303 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)o1 ZINC000647508553 395723754 /nfs/dbraw/zinc/72/37/54/395723754.db2.gz RJOGJFZPNZRMBU-AAEUAGOBSA-N 2 1 288.395 2.158 20 0 CEADMP CC[C@H](C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000647507108 395723759 /nfs/dbraw/zinc/72/37/59/395723759.db2.gz JCWXTHQBLJRRBI-SQWLQELKSA-N 2 1 262.397 2.228 20 0 CEADMP CC[C@H](C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000647507108 395723760 /nfs/dbraw/zinc/72/37/60/395723760.db2.gz JCWXTHQBLJRRBI-SQWLQELKSA-N 2 1 262.397 2.228 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)CC[N@@H+]1C ZINC000647343017 395706533 /nfs/dbraw/zinc/70/65/33/395706533.db2.gz AIGJBDPJCDLSGJ-RFQIPJPRSA-N 2 1 254.418 2.405 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)CC[N@H+]1C ZINC000647343017 395706534 /nfs/dbraw/zinc/70/65/34/395706534.db2.gz AIGJBDPJCDLSGJ-RFQIPJPRSA-N 2 1 254.418 2.405 20 0 CEADMP COCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344396 395706815 /nfs/dbraw/zinc/70/68/15/395706815.db2.gz PTSIMOHZZKFFTM-OIISXLGYSA-N 2 1 276.424 2.346 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3cnccc32)CC[C@@H]1[NH3+] ZINC000647496283 395721876 /nfs/dbraw/zinc/72/18/76/395721876.db2.gz CTTZXTCELUBSOL-LRDDRELGSA-N 2 1 255.365 2.404 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccccc2NC(C)=O)CC[C@H]1[NH3+] ZINC000647498165 395722338 /nfs/dbraw/zinc/72/23/38/395722338.db2.gz BVYXPTJRYAMXAT-UKRRQHHQSA-N 2 1 275.396 2.204 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccccc2NC(C)=O)CC[C@H]1[NH3+] ZINC000647498165 395722339 /nfs/dbraw/zinc/72/23/39/395722339.db2.gz BVYXPTJRYAMXAT-UKRRQHHQSA-N 2 1 275.396 2.204 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cnc3cccc(C)n23)CC[C@H]1[NH3+] ZINC000647498465 395722509 /nfs/dbraw/zinc/72/25/09/395722509.db2.gz IAKVEXWTQYOMDL-UKRRQHHQSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cnc3cccc(C)n23)CC[C@H]1[NH3+] ZINC000647498465 395722511 /nfs/dbraw/zinc/72/25/11/395722511.db2.gz IAKVEXWTQYOMDL-UKRRQHHQSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2sccc2OC)CC[C@H]1[NH3+] ZINC000647499060 395722864 /nfs/dbraw/zinc/72/28/64/395722864.db2.gz YNHIEKHAUIPARG-GHMZBOCLSA-N 2 1 254.399 2.316 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2sccc2OC)CC[C@H]1[NH3+] ZINC000647499060 395722867 /nfs/dbraw/zinc/72/28/67/395722867.db2.gz YNHIEKHAUIPARG-GHMZBOCLSA-N 2 1 254.399 2.316 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]([NH3+])C(C)C)o1 ZINC000647546715 395732071 /nfs/dbraw/zinc/73/20/71/395732071.db2.gz XHTGLPGPURPEPH-ZDUSSCGKSA-N 2 1 276.384 2.061 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000647517341 395725047 /nfs/dbraw/zinc/72/50/47/395725047.db2.gz FOEYJNGOYHURQK-ROUUACIJSA-N 2 1 287.451 2.192 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000647517282 395725477 /nfs/dbraw/zinc/72/54/77/395725477.db2.gz BXIPRYFOCDUBEO-ROUUACIJSA-N 2 1 287.451 2.192 20 0 CEADMP c1cc2cc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)ccc2cn1 ZINC000647538878 395729970 /nfs/dbraw/zinc/72/99/70/395729970.db2.gz MFCTYBCORJPSNM-KRWDZBQOSA-N 2 1 267.376 2.420 20 0 CEADMP CCn1nccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543474 395731685 /nfs/dbraw/zinc/73/16/85/395731685.db2.gz OFEUHLYMOZTXII-GJZGRUSLSA-N 2 1 276.428 2.115 20 0 CEADMP COc1cc(CC[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)ccc1C ZINC000647550177 395733138 /nfs/dbraw/zinc/73/31/38/395733138.db2.gz DPRBFDUJMHSOMG-DOMZBBRYSA-N 2 1 262.397 2.134 20 0 CEADMP COc1ccc(CCC[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)cc1OC ZINC000647550569 395734025 /nfs/dbraw/zinc/73/40/25/395734025.db2.gz ZAORWXJESAQSGX-DZGCQCFKSA-N 2 1 292.423 2.224 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798604 395756939 /nfs/dbraw/zinc/75/69/39/395756939.db2.gz UHHVSHVFAJEJMS-FXUDXRNXSA-N 3 1 267.461 2.085 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798604 395756941 /nfs/dbraw/zinc/75/69/41/395756941.db2.gz UHHVSHVFAJEJMS-FXUDXRNXSA-N 3 1 267.461 2.085 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000647936717 395779612 /nfs/dbraw/zinc/77/96/12/395779612.db2.gz KHDWPOXNKBRUPN-IUODEOHRSA-N 2 1 293.386 2.214 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCCOc1ccccc1 ZINC000647956536 395784489 /nfs/dbraw/zinc/78/44/89/395784489.db2.gz YKJSYCLQDSXOIV-INIZCTEOSA-N 2 1 294.439 2.088 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCCOc1ccccc1 ZINC000647956536 395784494 /nfs/dbraw/zinc/78/44/94/395784494.db2.gz YKJSYCLQDSXOIV-INIZCTEOSA-N 2 1 294.439 2.088 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCCOc1ccccc1 ZINC000647956536 395784497 /nfs/dbraw/zinc/78/44/97/395784497.db2.gz YKJSYCLQDSXOIV-INIZCTEOSA-N 2 1 294.439 2.088 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCCOc1ccccc1 ZINC000647956536 395784501 /nfs/dbraw/zinc/78/45/01/395784501.db2.gz YKJSYCLQDSXOIV-INIZCTEOSA-N 2 1 294.439 2.088 20 0 CEADMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+])cc1 ZINC000647849001 395763259 /nfs/dbraw/zinc/76/32/59/395763259.db2.gz DARGCCUHPWCDHI-UONOGXRCSA-N 2 1 291.439 2.095 20 0 CEADMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+])cc1 ZINC000647849001 395763260 /nfs/dbraw/zinc/76/32/60/395763260.db2.gz DARGCCUHPWCDHI-UONOGXRCSA-N 2 1 291.439 2.095 20 0 CEADMP c1cc2c(c([C@@H]3CCC[N@@H+]3C[C@@H]3CC[NH2+]C3)c1)OCCO2 ZINC000647883941 395768704 /nfs/dbraw/zinc/76/87/04/395768704.db2.gz NAOPLIKFQMRMPH-HIFRSBDPSA-N 2 1 288.391 2.204 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000647888112 395769739 /nfs/dbraw/zinc/76/97/39/395769739.db2.gz NGIFCQLSTNTULV-BARDWOONSA-N 2 1 266.429 2.121 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000647891461 395770072 /nfs/dbraw/zinc/77/00/72/395770072.db2.gz HQSDYFMLZXFXMO-HOTGVXAUSA-N 2 1 266.429 2.267 20 0 CEADMP CCC(C)(C)NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975823 395793258 /nfs/dbraw/zinc/79/32/58/395793258.db2.gz GMZGGDUBBGDSHI-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP CCCc1noc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647975801 395793292 /nfs/dbraw/zinc/79/32/92/395793292.db2.gz GDBNNLWHGYGDEE-KBPBESRZSA-N 2 1 292.427 2.234 20 0 CEADMP CCc1noc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647976069 395793390 /nfs/dbraw/zinc/79/33/90/395793390.db2.gz JSMOVIONZUHCLO-MJBXVCDLSA-N 2 1 292.427 2.405 20 0 CEADMP CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976462 395793656 /nfs/dbraw/zinc/79/36/56/395793656.db2.gz OUONAEPJMFSZMN-HRCADAONSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000647992983 395798372 /nfs/dbraw/zinc/79/83/72/395798372.db2.gz WOEIOZUIQZVIDW-IJEWVQPXSA-N 3 1 267.461 2.071 20 0 CEADMP C[C@@H]1[C@H](C(=O)NCCCC[NH+]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000648736158 395970560 /nfs/dbraw/zinc/97/05/60/395970560.db2.gz KOAXWPKOMUGOKM-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1[C@H](C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000648736158 395970564 /nfs/dbraw/zinc/97/05/64/395970564.db2.gz KOAXWPKOMUGOKM-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1[C@H](C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000648736158 395970566 /nfs/dbraw/zinc/97/05/66/395970566.db2.gz KOAXWPKOMUGOKM-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000648763899 395977855 /nfs/dbraw/zinc/97/78/55/395977855.db2.gz NUWXJJXCNDCIAH-ZIAGYGMSSA-N 2 1 294.443 2.243 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@H+](C)[C@H](C)CC ZINC000648763899 395977859 /nfs/dbraw/zinc/97/78/59/395977859.db2.gz NUWXJJXCNDCIAH-ZIAGYGMSSA-N 2 1 294.443 2.243 20 0 CEADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000649299019 396115859 /nfs/dbraw/zinc/11/58/59/396115859.db2.gz TWHGKOKNAPHRJY-HRCADAONSA-N 2 1 295.471 2.084 20 0 CEADMP Cc1ncsc1CC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000649408896 396145642 /nfs/dbraw/zinc/14/56/42/396145642.db2.gz DVMQOSIUJPNCMQ-UHFFFAOYSA-N 2 1 265.426 2.210 20 0 CEADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000646052081 396279680 /nfs/dbraw/zinc/27/96/80/396279680.db2.gz ZPAHWQVDFVLXAS-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[NH+](C)CCCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000646052081 396279683 /nfs/dbraw/zinc/27/96/83/396279683.db2.gz ZPAHWQVDFVLXAS-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[NH+](C)CCCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000646052081 396279684 /nfs/dbraw/zinc/27/96/84/396279684.db2.gz ZPAHWQVDFVLXAS-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H]1SCC[C@@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000647258765 396452312 /nfs/dbraw/zinc/45/23/12/396452312.db2.gz RRGWNYATIVIOAS-PWSUYJOCSA-N 2 1 251.399 2.131 20 0 CEADMP CCCC[C@H](C(=O)OC)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000224013075 400311741 /nfs/dbraw/zinc/31/17/41/400311741.db2.gz MSIFHPBTEKCZMQ-RRFJBIMHSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH2+]C1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC000394040822 400547080 /nfs/dbraw/zinc/54/70/80/400547080.db2.gz SLDCWHCSNILKJR-UHFFFAOYSA-N 2 1 262.397 2.366 20 0 CEADMP Cc1cccc(C2([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)CCC2)c1 ZINC000646022475 400716437 /nfs/dbraw/zinc/71/64/37/400716437.db2.gz HYEDIIHQLUHAHH-QGZVFWFLSA-N 2 1 288.435 2.419 20 0 CEADMP Cc1cccc(C2([NH2+]C[C@@H](O)C[N@H+](C)C3CC3)CCC2)c1 ZINC000646022475 400716438 /nfs/dbraw/zinc/71/64/38/400716438.db2.gz HYEDIIHQLUHAHH-QGZVFWFLSA-N 2 1 288.435 2.419 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000359904360 155164647 /nfs/dbraw/zinc/16/46/47/155164647.db2.gz CQADHJDCCVDAID-HNNXBMFYSA-N 2 1 293.386 2.132 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000359904360 155164648 /nfs/dbraw/zinc/16/46/48/155164648.db2.gz CQADHJDCCVDAID-HNNXBMFYSA-N 2 1 293.386 2.132 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650706653 400998564 /nfs/dbraw/zinc/99/85/64/400998564.db2.gz PEDSSROGARYQMQ-KCQAQPDRSA-N 2 1 295.452 2.170 20 0 CEADMP Cc1ncccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650706853 400998830 /nfs/dbraw/zinc/99/88/30/400998830.db2.gz UHZNNUCZCLGDLG-GVDBMIGSSA-N 2 1 289.423 2.108 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)[C@H]1CC[NH3+] ZINC000650710908 401001759 /nfs/dbraw/zinc/00/17/59/401001759.db2.gz CKCXLEVLYPJHCN-PBHICJAKSA-N 2 1 299.422 2.217 20 0 CEADMP COc1ccc(C[C@@H]2CCCC[N@H+]2CCC[NH3+])cc1 ZINC000650714776 401004710 /nfs/dbraw/zinc/00/47/10/401004710.db2.gz BJUMJJSMUATBPY-HNNXBMFYSA-N 2 1 262.397 2.441 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000650722842 401011857 /nfs/dbraw/zinc/01/18/57/401011857.db2.gz CCSBEMJDNGKDAX-GVDBMIGSSA-N 2 1 289.423 2.251 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000650740012 401016521 /nfs/dbraw/zinc/01/65/21/401016521.db2.gz DSFSJMMKCJQMAT-LSDHHAIUSA-N 2 1 255.450 2.071 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000650740012 401016528 /nfs/dbraw/zinc/01/65/28/401016528.db2.gz DSFSJMMKCJQMAT-LSDHHAIUSA-N 3 1 255.450 2.071 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000650740012 401016534 /nfs/dbraw/zinc/01/65/34/401016534.db2.gz DSFSJMMKCJQMAT-LSDHHAIUSA-N 3 1 255.450 2.071 20 0 CEADMP COC[C@H](CC(C)(C)C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000651794346 401393225 /nfs/dbraw/zinc/39/32/25/401393225.db2.gz VODCYFFUPLEILF-HNNXBMFYSA-N 2 1 299.503 2.053 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C2CCOCC2)CC[N@@H+]1C ZINC000652247820 401472901 /nfs/dbraw/zinc/47/29/01/401472901.db2.gz RZIXOTUWVPNUEV-WQVCFCJDSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C2CCOCC2)CC[N@H+]1C ZINC000652247820 401472903 /nfs/dbraw/zinc/47/29/03/401472903.db2.gz RZIXOTUWVPNUEV-WQVCFCJDSA-N 2 1 266.429 2.264 20 0 CEADMP CCOCCC[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000337044094 286065263 /nfs/dbraw/zinc/06/52/63/286065263.db2.gz DLQMWFREPQWGKQ-HOTGVXAUSA-N 2 1 262.397 2.087 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000652345933 401490900 /nfs/dbraw/zinc/49/09/00/401490900.db2.gz PNZQDJYDHBQIBQ-KURKYZTESA-N 2 1 288.435 2.447 20 0 CEADMP C[NH2+]CCC[N@@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000652350096 401491317 /nfs/dbraw/zinc/49/13/17/401491317.db2.gz FVRLBUPCVHTXGZ-HNNXBMFYSA-N 2 1 250.361 2.399 20 0 CEADMP C[NH2+]CCC[N@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000652350096 401491319 /nfs/dbraw/zinc/49/13/19/401491319.db2.gz FVRLBUPCVHTXGZ-HNNXBMFYSA-N 2 1 250.361 2.399 20 0 CEADMP CCO[C@@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)C[C@H]1C[NH3+] ZINC000652356587 401493115 /nfs/dbraw/zinc/49/31/15/401493115.db2.gz VQBBGRGOTUKSHI-XOKHGSTOSA-N 2 1 292.398 2.499 20 0 CEADMP Cc1nccn1CCC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652355708 401493152 /nfs/dbraw/zinc/49/31/52/401493152.db2.gz DWKSLYTVDBMQNI-ZFWWWQNUSA-N 2 1 264.417 2.031 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652355708 401493153 /nfs/dbraw/zinc/49/31/53/401493153.db2.gz DWKSLYTVDBMQNI-ZFWWWQNUSA-N 3 1 264.417 2.031 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652355708 401493158 /nfs/dbraw/zinc/49/31/58/401493158.db2.gz DWKSLYTVDBMQNI-ZFWWWQNUSA-N 3 1 264.417 2.031 20 0 CEADMP C[N@@H+](CCCC1CC[NH2+]CC1)CCN1CCCCC1 ZINC000652363295 401495192 /nfs/dbraw/zinc/49/51/92/401495192.db2.gz AEDDUDOHOIPNQU-UHFFFAOYSA-N 2 1 267.461 2.184 20 0 CEADMP CN(CCCC1CC[NH2+]CC1)CC[NH+]1CCCCC1 ZINC000652363295 401495196 /nfs/dbraw/zinc/49/51/96/401495196.db2.gz AEDDUDOHOIPNQU-UHFFFAOYSA-N 2 1 267.461 2.184 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCc2ccc(F)cc21 ZINC000652363849 401495284 /nfs/dbraw/zinc/49/52/84/401495284.db2.gz PPAURPQLLFNYBO-CHWSQXEVSA-N 2 1 262.372 2.397 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000360093877 155216161 /nfs/dbraw/zinc/21/61/61/155216161.db2.gz WFEWVHCTVCCWJC-FXUDXRNXSA-N 2 1 298.496 2.361 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000360168576 155232877 /nfs/dbraw/zinc/23/28/77/155232877.db2.gz NBAVPUFKSXPDTE-UHFFFAOYSA-N 2 1 264.417 2.238 20 0 CEADMP CC1=CCN(CC2(C[N@@H+]3CC=C(C)CC3)COC2)CC1 ZINC000360199472 155240203 /nfs/dbraw/zinc/24/02/03/155240203.db2.gz MFWJLOPQKJIKMV-UHFFFAOYSA-N 2 1 276.424 2.307 20 0 CEADMP CC1=CC[NH+](CC2(C[N@H+]3CC=C(C)CC3)COC2)CC1 ZINC000360199472 155240206 /nfs/dbraw/zinc/24/02/06/155240206.db2.gz MFWJLOPQKJIKMV-UHFFFAOYSA-N 2 1 276.424 2.307 20 0 CEADMP CC1=CC[NH+](CC2(C[N@@H+]3CC=C(C)CC3)COC2)CC1 ZINC000360199472 155240209 /nfs/dbraw/zinc/24/02/09/155240209.db2.gz MFWJLOPQKJIKMV-UHFFFAOYSA-N 2 1 276.424 2.307 20 0 CEADMP Cc1[nH]nc2ncc(C[N@@H+]3CCCC34CC[NH+](C)CC4)cc12 ZINC000355041743 533675381 /nfs/dbraw/zinc/67/53/81/533675381.db2.gz QJZTYNDSXVYHLH-UHFFFAOYSA-N 2 1 299.422 2.327 20 0 CEADMP COCCOc1ccccc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000360250893 155251615 /nfs/dbraw/zinc/25/16/15/155251615.db2.gz QLXHJPQHUQSYKE-ZBFHGGJFSA-N 2 1 292.423 2.142 20 0 CEADMP COCCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000360250893 155251616 /nfs/dbraw/zinc/25/16/16/155251616.db2.gz QLXHJPQHUQSYKE-ZBFHGGJFSA-N 2 1 292.423 2.142 20 0 CEADMP CO[C@](C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000311127453 286146772 /nfs/dbraw/zinc/14/67/72/286146772.db2.gz IKLQCXFQUBPVAW-RRFJBIMHSA-N 2 1 252.402 2.018 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)C1(C)C ZINC000223441195 286283838 /nfs/dbraw/zinc/28/38/38/286283838.db2.gz NPVVDROYLMREOO-BFHYXJOUSA-N 2 1 254.418 2.121 20 0 CEADMP Cn1ccc(CN2C[C@@H]3[C@H](c4ccccc4)[N@H+](C)C[C@@H]3C2)n1 ZINC000360776517 155369225 /nfs/dbraw/zinc/36/92/25/155369225.db2.gz DZVPVVIBGIFCGK-NJAFHUGGSA-N 2 1 296.418 2.155 20 0 CEADMP CCOC1CC(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000189265336 153086571 /nfs/dbraw/zinc/08/65/71/153086571.db2.gz MCROCRNGEDASKV-PWUWZPNHSA-N 2 1 266.429 2.408 20 0 CEADMP O[C@H](CC1CCCC1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000191343467 153169182 /nfs/dbraw/zinc/16/91/82/153169182.db2.gz QHJOLUFABOKBNQ-QGZVFWFLSA-N 2 1 280.456 2.488 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@H]2Cn2ccnc2)ccc1O ZINC000194991645 153272457 /nfs/dbraw/zinc/27/24/57/153272457.db2.gz USTLPDZKPZFMOK-AWEZNQCLSA-N 2 1 287.363 2.262 20 0 CEADMP CCCn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000227284050 153342793 /nfs/dbraw/zinc/34/27/93/153342793.db2.gz VXQICFONHVKAAY-HUUCEWRRSA-N 2 1 262.401 2.010 20 0 CEADMP CCCn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000227284050 153342795 /nfs/dbraw/zinc/34/27/95/153342795.db2.gz VXQICFONHVKAAY-HUUCEWRRSA-N 2 1 262.401 2.010 20 0 CEADMP CCCn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000227284055 153343401 /nfs/dbraw/zinc/34/34/01/153343401.db2.gz VXQICFONHVKAAY-LSDHHAIUSA-N 2 1 262.401 2.010 20 0 CEADMP CCCn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000227284055 153343406 /nfs/dbraw/zinc/34/34/06/153343406.db2.gz VXQICFONHVKAAY-LSDHHAIUSA-N 2 1 262.401 2.010 20 0 CEADMP Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000247501736 153607665 /nfs/dbraw/zinc/60/76/65/153607665.db2.gz LTVNZWVBGIRVOT-WMZOPIPTSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000247501736 153607667 /nfs/dbraw/zinc/60/76/67/153607667.db2.gz LTVNZWVBGIRVOT-WMZOPIPTSA-N 2 1 288.435 2.446 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCC2CC[NH2+]CC2)C[C@@H]1C ZINC000262972052 154003439 /nfs/dbraw/zinc/00/34/39/154003439.db2.gz LWYJWZQGKYGILI-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000334832241 154235845 /nfs/dbraw/zinc/23/58/45/154235845.db2.gz AIYPAVBDYLHPFL-WDNDVIMCSA-N 2 1 250.773 2.264 20 0 CEADMP CN(CCC[N@@H+](C)Cc1cc(F)cc(F)c1)CC[NH+](C)C ZINC000344008280 154264083 /nfs/dbraw/zinc/26/40/83/154264083.db2.gz AMQBRHTZYLGJSY-UHFFFAOYSA-N 2 1 299.409 2.280 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C1CC1 ZINC000344010286 154270410 /nfs/dbraw/zinc/27/04/10/154270410.db2.gz HNKCWFSHQZQGRE-YJNKXOJESA-N 2 1 266.429 2.120 20 0 CEADMP CCc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cn1 ZINC000352777872 154335500 /nfs/dbraw/zinc/33/55/00/154335500.db2.gz CXBOZLBQUVTHRQ-UHFFFAOYSA-N 2 1 258.369 2.329 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnn2C(C)C)C1 ZINC000354210140 154346565 /nfs/dbraw/zinc/34/65/65/154346565.db2.gz JVUYVOLLXSIUNX-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccnn2C(C)C)C1 ZINC000354210140 154346567 /nfs/dbraw/zinc/34/65/67/154346567.db2.gz JVUYVOLLXSIUNX-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@@H]1C ZINC000359430333 155010688 /nfs/dbraw/zinc/01/06/88/155010688.db2.gz UEJHUSKPKHSCKX-CWRNSKLLSA-N 2 1 294.439 2.206 20 0 CEADMP CC[C@@H](C)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000359519966 155040178 /nfs/dbraw/zinc/04/01/78/155040178.db2.gz CBPNKEMDSLNYCA-CVEARBPZSA-N 2 1 297.487 2.297 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CO)c1cccc(F)c1 ZINC000359544912 155049106 /nfs/dbraw/zinc/04/91/06/155049106.db2.gz XNDITMZYEIVCLT-OAHLLOKOSA-N 2 1 277.343 2.044 20 0 CEADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccsc1Cl ZINC000359738585 155125246 /nfs/dbraw/zinc/12/52/46/155125246.db2.gz ZAVBUJFGGNWVAP-NSHDSACASA-N 2 1 287.860 2.127 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000359781639 155129103 /nfs/dbraw/zinc/12/91/03/155129103.db2.gz FHVVENUFWKDWNN-UONOGXRCSA-N 2 1 285.476 2.390 20 0 CEADMP COCCCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366889706 292320704 /nfs/dbraw/zinc/32/07/04/292320704.db2.gz XHQKTAZLSPMDAR-UHFFFAOYSA-N 2 1 254.418 2.221 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2C)[C@@H]1SC ZINC000362315443 155807758 /nfs/dbraw/zinc/80/77/58/155807758.db2.gz ABRWOHFKKUMWJW-KFWWJZLASA-N 2 1 297.468 2.470 20 0 CEADMP Cc1cccn2c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cnc12 ZINC000363166993 156006144 /nfs/dbraw/zinc/00/61/44/156006144.db2.gz BMARGGMVLWCOLC-HUUCEWRRSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1cccn2c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cnc12 ZINC000363166993 156006145 /nfs/dbraw/zinc/00/61/45/156006145.db2.gz BMARGGMVLWCOLC-HUUCEWRRSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367613097 156213939 /nfs/dbraw/zinc/21/39/39/156213939.db2.gz FGJYEUXQKKOODG-GVDBMIGSSA-N 2 1 290.455 2.042 20 0 CEADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C(=O)OC ZINC000367740844 156233799 /nfs/dbraw/zinc/23/37/99/156233799.db2.gz QNZRQAVKWGCTIG-RBSFLKMASA-N 2 1 296.455 2.428 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc2c(c1)OCO2 ZINC000368106021 156290220 /nfs/dbraw/zinc/29/02/20/156290220.db2.gz ZVXXQWAJUWAHCE-CMPLNLGQSA-N 2 1 285.347 2.347 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)no1 ZINC000368125184 156292868 /nfs/dbraw/zinc/29/28/68/156292868.db2.gz KSONPIMIKLHVRV-NWDGAFQWSA-N 2 1 260.341 2.093 20 0 CEADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCCCCF)C2)CC1 ZINC000368500612 156355183 /nfs/dbraw/zinc/35/51/83/156355183.db2.gz XLSOXUCBGSQKDN-INIZCTEOSA-N 2 1 285.451 2.086 20 0 CEADMP CCC[C@]1(CO)CC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000368572260 156370145 /nfs/dbraw/zinc/37/01/45/156370145.db2.gz GWANLTGODHMAMT-HNNXBMFYSA-N 2 1 256.434 2.203 20 0 CEADMP C[N@H+](CCCCF)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375628703 157116522 /nfs/dbraw/zinc/11/65/22/157116522.db2.gz DHCJDROZLZWNJP-QGZVFWFLSA-N 2 1 294.414 2.305 20 0 CEADMP C[N@@H+](CCCCF)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375628703 157116524 /nfs/dbraw/zinc/11/65/24/157116524.db2.gz DHCJDROZLZWNJP-QGZVFWFLSA-N 2 1 294.414 2.305 20 0 CEADMP C[NH+](CCCCF)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000375628703 157116527 /nfs/dbraw/zinc/11/65/27/157116527.db2.gz DHCJDROZLZWNJP-QGZVFWFLSA-N 2 1 294.414 2.305 20 0 CEADMP C[NH+](CCCCF)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000375628703 157116529 /nfs/dbraw/zinc/11/65/29/157116529.db2.gz DHCJDROZLZWNJP-QGZVFWFLSA-N 2 1 294.414 2.305 20 0 CEADMP CN(CCC[NH+]1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375760213 157139156 /nfs/dbraw/zinc/13/91/56/157139156.db2.gz SOPKTAUGUMYFLH-SJPCQFCGSA-N 2 1 279.472 2.419 20 0 CEADMP CC(C)Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000376284332 157206533 /nfs/dbraw/zinc/20/65/33/157206533.db2.gz YTLIEFCLLMWULJ-HZPDHXFCSA-N 2 1 276.428 2.256 20 0 CEADMP CC(C)Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000376284332 157206534 /nfs/dbraw/zinc/20/65/34/157206534.db2.gz YTLIEFCLLMWULJ-HZPDHXFCSA-N 2 1 276.428 2.256 20 0 CEADMP Cc1nnc(CN2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC000540204893 298263956 /nfs/dbraw/zinc/26/39/56/298263956.db2.gz NAPBUKUCABCGCV-UHFFFAOYSA-N 2 1 282.457 2.399 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000131792044 162299444 /nfs/dbraw/zinc/29/94/44/162299444.db2.gz JMZCMVSGNFKJEV-HUUCEWRRSA-N 2 1 289.423 2.097 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000131792044 162299449 /nfs/dbraw/zinc/29/94/49/162299449.db2.gz JMZCMVSGNFKJEV-HUUCEWRRSA-N 2 1 289.423 2.097 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000164868354 162336941 /nfs/dbraw/zinc/33/69/41/162336941.db2.gz XESWFYPHWDYBPT-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000164868354 162336933 /nfs/dbraw/zinc/33/69/33/162336933.db2.gz XESWFYPHWDYBPT-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCO2)[C@H](C)C1 ZINC000178711129 165258140 /nfs/dbraw/zinc/25/81/40/165258140.db2.gz FKHHTNRRBICYEA-IKGGRYGDSA-N 2 1 298.471 2.282 20 0 CEADMP Cn1cc(-c2ccccc2C[NH2+]C2CC[NH+](C)CC2)cn1 ZINC000378398440 165646171 /nfs/dbraw/zinc/64/61/71/165646171.db2.gz FSSNPPUDSMLRGF-UHFFFAOYSA-N 2 1 284.407 2.271 20 0 CEADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC[C@@H]1CCC[NH+]1C ZINC000363459321 287217220 /nfs/dbraw/zinc/21/72/20/287217220.db2.gz KCYZQNKBQREGIQ-IKGGRYGDSA-N 2 1 279.472 2.419 20 0 CEADMP CC[C@@H]1C[NH+]2CCCC[C@H]2CN1CC[C@@H]1CCC[N@@H+]1C ZINC000363459321 287217222 /nfs/dbraw/zinc/21/72/22/287217222.db2.gz KCYZQNKBQREGIQ-IKGGRYGDSA-N 2 1 279.472 2.419 20 0 CEADMP CC[C@@H]1C[NH+]2CCCC[C@H]2CN1CC[C@@H]1CCC[N@H+]1C ZINC000363459321 287217223 /nfs/dbraw/zinc/21/72/23/287217223.db2.gz KCYZQNKBQREGIQ-IKGGRYGDSA-N 2 1 279.472 2.419 20 0 CEADMP O=c1[nH]c2ccccc2cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000020129220 171016930 /nfs/dbraw/zinc/01/69/30/171016930.db2.gz PLXUCKOKEPZIRM-UHFFFAOYSA-N 2 1 285.391 2.104 20 0 CEADMP COCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285695136 196369113 /nfs/dbraw/zinc/36/91/13/196369113.db2.gz VOOWBALHZDNTRO-QGZVFWFLSA-N 2 1 274.408 2.231 20 0 CEADMP COCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285695136 196369115 /nfs/dbraw/zinc/36/91/15/196369115.db2.gz VOOWBALHZDNTRO-QGZVFWFLSA-N 2 1 274.408 2.231 20 0 CEADMP COCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285695136 196369117 /nfs/dbraw/zinc/36/91/17/196369117.db2.gz VOOWBALHZDNTRO-QGZVFWFLSA-N 2 1 274.408 2.231 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000352526376 287282013 /nfs/dbraw/zinc/28/20/13/287282013.db2.gz MZUORRBFPGRITO-XHSDSOJGSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1ccc(OC[C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000040496132 174295172 /nfs/dbraw/zinc/29/51/72/174295172.db2.gz ILBFPLBIDMEWPH-CQSZACIVSA-N 2 1 262.397 2.446 20 0 CEADMP CC[N@@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000402624856 414758151 /nfs/dbraw/zinc/75/81/51/414758151.db2.gz WWCTZSVWDPRDCH-OAHLLOKOSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCC[NH3+] ZINC000404309740 414777479 /nfs/dbraw/zinc/77/74/79/414777479.db2.gz VJZXDYROPBTBOX-ARFHVFGLSA-N 2 1 275.440 2.319 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])C(C)C ZINC000404279772 414779155 /nfs/dbraw/zinc/77/91/55/414779155.db2.gz PADRIVOQCITLJP-HUUCEWRRSA-N 2 1 283.460 2.081 20 0 CEADMP CCCCN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401028023 414749689 /nfs/dbraw/zinc/74/96/89/414749689.db2.gz OLBFJGVQFDWMIS-HLLBOEOZSA-N 2 1 279.472 2.229 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000122722458 414790756 /nfs/dbraw/zinc/79/07/56/414790756.db2.gz AODYAKLMRJMPJD-DOMZBBRYSA-N 2 1 293.386 2.214 20 0 CEADMP CCO[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C[NH3+] ZINC000405869325 414796157 /nfs/dbraw/zinc/79/61/57/414796157.db2.gz QFHZGBWFFZLPNO-HUUCEWRRSA-N 2 1 254.418 2.252 20 0 CEADMP CO[C@@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C1CCCCC1 ZINC000660419060 414812747 /nfs/dbraw/zinc/81/27/47/414812747.db2.gz GSOGCPNAWZGITR-HNNXBMFYSA-N 2 1 292.427 2.127 20 0 CEADMP C[C@H](C[NH2+]Cc1cnc2n1CCC2)C[NH+]1CCCCC1 ZINC000657317551 414855091 /nfs/dbraw/zinc/85/50/91/414855091.db2.gz YZNWCDYCUZBLMA-CQSZACIVSA-N 2 1 276.428 2.041 20 0 CEADMP Cn1ncc(C2CCC2)c1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657313030 414855643 /nfs/dbraw/zinc/85/56/43/414855643.db2.gz GEBYXRFSVKGBJD-CABCVRRESA-N 2 1 288.439 2.404 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657313030 414855649 /nfs/dbraw/zinc/85/56/49/414855649.db2.gz GEBYXRFSVKGBJD-CABCVRRESA-N 2 1 288.439 2.404 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657313030 414855651 /nfs/dbraw/zinc/85/56/51/414855651.db2.gz GEBYXRFSVKGBJD-CABCVRRESA-N 2 1 288.439 2.404 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](c1cccnc1)C(C)(C)CO ZINC000660637781 414908785 /nfs/dbraw/zinc/90/87/85/414908785.db2.gz IVSVLQVOWUOBOD-JKSUJKDBSA-N 2 1 291.439 2.215 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](c1cccnc1)C(C)(C)CO ZINC000660637781 414908793 /nfs/dbraw/zinc/90/87/93/414908793.db2.gz IVSVLQVOWUOBOD-JKSUJKDBSA-N 2 1 291.439 2.215 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653113595 414911182 /nfs/dbraw/zinc/91/11/82/414911182.db2.gz HZJYROXHIRDIPX-HZPDHXFCSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347059 414925048 /nfs/dbraw/zinc/92/50/48/414925048.db2.gz HGFXGTUFDYWDHS-INIZCTEOSA-N 2 1 290.455 2.249 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347059 414925052 /nfs/dbraw/zinc/92/50/52/414925052.db2.gz HGFXGTUFDYWDHS-INIZCTEOSA-N 2 1 290.455 2.249 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC[C@H]1CCOC1)C2 ZINC000660664160 414925429 /nfs/dbraw/zinc/92/54/29/414925429.db2.gz QGPXWFDWVTUZFQ-HOTGVXAUSA-N 2 1 266.429 2.221 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000653176441 414937536 /nfs/dbraw/zinc/93/75/36/414937536.db2.gz VGYSXKCQWFMVLO-CVEARBPZSA-N 2 1 297.487 2.106 20 0 CEADMP Cc1ccc2nc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cn2c1 ZINC000314949803 414870139 /nfs/dbraw/zinc/87/01/39/414870139.db2.gz UARMGAKQHNIQRB-YOEHRIQHSA-N 2 1 284.407 2.204 20 0 CEADMP Cc1ccc2nc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cn2c1 ZINC000314949803 414870144 /nfs/dbraw/zinc/87/01/44/414870144.db2.gz UARMGAKQHNIQRB-YOEHRIQHSA-N 2 1 284.407 2.204 20 0 CEADMP CC(C)[NH+](CCC[NH2+]Cc1cnn2c1CCC2)C(C)C ZINC000657382255 414900873 /nfs/dbraw/zinc/90/08/73/414900873.db2.gz JGVYPBMVLTWLPC-UHFFFAOYSA-N 2 1 278.444 2.428 20 0 CEADMP C[NH2+]C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000663508823 414977468 /nfs/dbraw/zinc/97/74/68/414977468.db2.gz FPIAFRLDAPVIEF-ZOBUZTSGSA-N 2 1 275.440 2.237 20 0 CEADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccco3)cc2)C1 ZINC000657594657 415015676 /nfs/dbraw/zinc/01/56/76/415015676.db2.gz JYQROKCWVHKRES-INIZCTEOSA-N 2 1 286.375 2.136 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@H]1C[C@H]1C ZINC000657596045 415017338 /nfs/dbraw/zinc/01/73/38/415017338.db2.gz LCMCUYHVGXNNCP-BODMPHMZSA-N 2 1 288.435 2.387 20 0 CEADMP CC[NH+]1CCC(CNc2cc(CO)cc(C)[nH+]2)CC1 ZINC000663419837 414952078 /nfs/dbraw/zinc/95/20/78/414952078.db2.gz WAOOMBPNTCCNTB-UHFFFAOYSA-N 2 1 263.385 2.026 20 0 CEADMP c1cc2c(cc[nH+]c2N[C@@H]2CCc3[nH+]ccn3C2)[nH]1 ZINC000663453415 414956616 /nfs/dbraw/zinc/95/66/16/414956616.db2.gz ZQMYNALGGLIDKP-SNVBAGLBSA-N 2 1 253.309 2.186 20 0 CEADMP Cc1cc(CO)cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000663451160 414957434 /nfs/dbraw/zinc/95/74/34/414957434.db2.gz PFKZNQBAUVZRSI-ZDUSSCGKSA-N 2 1 263.385 2.025 20 0 CEADMP Cc1cc(CO)cc(NC[C@@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000663451160 414957436 /nfs/dbraw/zinc/95/74/36/414957436.db2.gz PFKZNQBAUVZRSI-ZDUSSCGKSA-N 2 1 263.385 2.025 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000660755358 414959421 /nfs/dbraw/zinc/95/94/21/414959421.db2.gz KBUCWJQAUCTBDE-JSRQGNBESA-N 2 1 280.456 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000660755358 414959427 /nfs/dbraw/zinc/95/94/27/414959427.db2.gz KBUCWJQAUCTBDE-JSRQGNBESA-N 2 1 280.456 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000660755358 414959433 /nfs/dbraw/zinc/95/94/33/414959433.db2.gz KBUCWJQAUCTBDE-JSRQGNBESA-N 2 1 280.456 2.056 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000653605470 415051415 /nfs/dbraw/zinc/05/14/15/415051415.db2.gz YPZBPWKLGSJTLU-IAGOWNOFSA-N 2 1 276.424 2.430 20 0 CEADMP Cc1cc(CO)cc(NCC2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000663849853 415070073 /nfs/dbraw/zinc/07/00/73/415070073.db2.gz NOPBOATZXSTBJV-UHFFFAOYSA-N 2 1 275.396 2.169 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000657769214 415074673 /nfs/dbraw/zinc/07/46/73/415074673.db2.gz WIEZFRZBAWJYMK-OWCLPIDISA-N 2 1 266.429 2.408 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000657836939 415101497 /nfs/dbraw/zinc/10/14/97/415101497.db2.gz YHPVWZDESKVEFT-STQMWFEESA-N 2 1 252.402 2.018 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657843663 415103385 /nfs/dbraw/zinc/10/33/85/415103385.db2.gz FWUOGIYHSCBOJK-KGLIPLIRSA-N 2 1 262.401 2.040 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657843663 415103389 /nfs/dbraw/zinc/10/33/89/415103389.db2.gz FWUOGIYHSCBOJK-KGLIPLIRSA-N 2 1 262.401 2.040 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657843661 415103859 /nfs/dbraw/zinc/10/38/59/415103859.db2.gz FWUOGIYHSCBOJK-KBPBESRZSA-N 2 1 262.401 2.040 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657843661 415103861 /nfs/dbraw/zinc/10/38/61/415103861.db2.gz FWUOGIYHSCBOJK-KBPBESRZSA-N 2 1 262.401 2.040 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657873841 415110483 /nfs/dbraw/zinc/11/04/83/415110483.db2.gz ZJLNHPWJVXWGHQ-MRXNPFEDSA-N 2 1 299.528 2.135 20 0 CEADMP CCC[NH+]1CCC(NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658058441 415181957 /nfs/dbraw/zinc/18/19/57/415181957.db2.gz SWRMQHJGCFBJMU-OAHLLOKOSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@H]2CCN2C(C)(C)C)CC1 ZINC000658058441 415181962 /nfs/dbraw/zinc/18/19/62/415181962.db2.gz SWRMQHJGCFBJMU-OAHLLOKOSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(C)c2)CC1 ZINC000044498507 175184537 /nfs/dbraw/zinc/18/45/37/175184537.db2.gz HJLSLDHDKWKFCZ-ZDUSSCGKSA-N 2 1 264.417 2.335 20 0 CEADMP OC1CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000658228297 415263328 /nfs/dbraw/zinc/26/33/28/415263328.db2.gz HESXVWAKOGEUOC-BBBYJDLNSA-N 2 1 266.429 2.287 20 0 CEADMP OC1CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000658228297 415263334 /nfs/dbraw/zinc/26/33/34/415263334.db2.gz HESXVWAKOGEUOC-BBBYJDLNSA-N 2 1 266.429 2.287 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000658233003 415267299 /nfs/dbraw/zinc/26/72/99/415267299.db2.gz FYBJRYCRIFLIKZ-DOTOQJQBSA-N 2 1 290.455 2.205 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(O)cc32)CC[N@@H+]1C ZINC000658239956 415274720 /nfs/dbraw/zinc/27/47/20/415274720.db2.gz WYAGXZVWJNAJRR-FFSVYQOJSA-N 2 1 260.381 2.452 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(O)cc32)CC[N@H+]1C ZINC000658239956 415274727 /nfs/dbraw/zinc/27/47/27/415274727.db2.gz WYAGXZVWJNAJRR-FFSVYQOJSA-N 2 1 260.381 2.452 20 0 CEADMP CC1(C)C[C@@]1(C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658300316 415305644 /nfs/dbraw/zinc/30/56/44/415305644.db2.gz DRIXEKXTIPQLST-GOEBONIOSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CC[N@H+]1C ZINC000658353072 415333650 /nfs/dbraw/zinc/33/36/50/415333650.db2.gz BPOOYCLNOUBVFT-PBHICJAKSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCN1C ZINC000658353072 415333657 /nfs/dbraw/zinc/33/36/57/415333657.db2.gz BPOOYCLNOUBVFT-PBHICJAKSA-N 2 1 279.472 2.181 20 0 CEADMP CC(C)CCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655697972 415393863 /nfs/dbraw/zinc/39/38/63/415393863.db2.gz SJZBZLQCYGVICK-HNNXBMFYSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)CS1 ZINC000655717152 415408736 /nfs/dbraw/zinc/40/87/36/415408736.db2.gz VTVYGEABKUOCPD-GOEBONIOSA-N 2 1 299.528 2.134 20 0 CEADMP CCC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000655721171 415411036 /nfs/dbraw/zinc/41/10/36/415411036.db2.gz MGRKBZDIYRBERT-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)(CCCO)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655723353 415411182 /nfs/dbraw/zinc/41/11/82/415411182.db2.gz JRRXLIBOFKVJJQ-MRXNPFEDSA-N 2 1 298.471 2.018 20 0 CEADMP CCO[C@H](CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000655719902 415413446 /nfs/dbraw/zinc/41/34/46/415413446.db2.gz WUBRZPLQINOAKK-IAGOWNOFSA-N 2 1 298.471 2.281 20 0 CEADMP CCC(CC)(CO)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655737716 415421106 /nfs/dbraw/zinc/42/11/06/415421106.db2.gz NTROQGKUMAQDFC-MRXNPFEDSA-N 2 1 298.471 2.018 20 0 CEADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000655738490 415426539 /nfs/dbraw/zinc/42/65/39/415426539.db2.gz VUWIVUUZVQGZJA-CVEARBPZSA-N 2 1 296.455 2.177 20 0 CEADMP c1ccc(CCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655684380 415384563 /nfs/dbraw/zinc/38/45/63/415384563.db2.gz QKFIBRJBIXFRHL-SFHVURJKSA-N 2 1 288.435 2.462 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661838941 415493287 /nfs/dbraw/zinc/49/32/87/415493287.db2.gz IIXMNROGQQNGHM-ILXRZTDVSA-N 2 1 298.471 2.015 20 0 CEADMP CC(C)(O)C(C)(C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655773932 415450080 /nfs/dbraw/zinc/45/00/80/415450080.db2.gz LIBWOMFQYPNIOF-OAHLLOKOSA-N 2 1 298.471 2.017 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCn3ccnc32)C1 ZINC000655776404 415456458 /nfs/dbraw/zinc/45/64/58/415456458.db2.gz JDHDFMSVOBJPBU-KGLIPLIRSA-N 2 1 262.401 2.040 20 0 CEADMP CO[C@@H]([C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000655774045 415456747 /nfs/dbraw/zinc/45/67/47/415456747.db2.gz OLFJUOAPLXFDLK-XKQJLSEDSA-N 2 1 296.455 2.033 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H](C)O1 ZINC000655777062 415457815 /nfs/dbraw/zinc/45/78/15/415457815.db2.gz QXNDRVIINSJNHZ-DLTWYDFYSA-N 2 1 296.455 2.033 20 0 CEADMP CC[C@H](C)C[C@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655779584 415458331 /nfs/dbraw/zinc/45/83/31/415458331.db2.gz OJCBPMYYZQTBMR-USXIJHARSA-N 2 1 298.471 2.017 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3noc4ccccc43)C[C@H]21 ZINC000655938254 415560303 /nfs/dbraw/zinc/56/03/03/415560303.db2.gz QDFUOIIVUPIYGU-BPLDGKMQSA-N 2 1 285.391 2.430 20 0 CEADMP CCc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc[nH+]1 ZINC000656225978 415650464 /nfs/dbraw/zinc/65/04/64/415650464.db2.gz KCCOTHJLOYPYGI-HZPDHXFCSA-N 2 1 259.397 2.495 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nc(C3CC3)cs2)C1 ZINC000656193021 415625937 /nfs/dbraw/zinc/62/59/37/415625937.db2.gz INKQUQJUGHKJKN-QWRGUYRKSA-N 2 1 251.399 2.380 20 0 CEADMP C[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1c[nH+]ccc1N ZINC000665236378 415637971 /nfs/dbraw/zinc/63/79/71/415637971.db2.gz LLISNDRCHUBVRS-RYUDHWBXSA-N 2 1 262.401 2.018 20 0 CEADMP COc1cccc(OC)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000665238405 415640942 /nfs/dbraw/zinc/64/09/42/415640942.db2.gz XTUBXDBPSFWKBF-RYUDHWBXSA-N 2 1 264.369 2.063 20 0 CEADMP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OC)c1 ZINC000665240157 415641005 /nfs/dbraw/zinc/64/10/05/415641005.db2.gz DTVGTFKNHYHJPH-KJFZJZGVSA-N 2 1 290.407 2.255 20 0 CEADMP C[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258470 415654286 /nfs/dbraw/zinc/65/42/86/415654286.db2.gz ACCGBSYAHZXRFN-NKKGCODLSA-N 2 1 292.398 2.286 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000665274678 415664055 /nfs/dbraw/zinc/66/40/55/415664055.db2.gz VTZDYWUYFPCDBU-CABCVRRESA-N 2 1 276.428 2.437 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1c[nH+]ccc1N ZINC000665274384 415664725 /nfs/dbraw/zinc/66/47/25/415664725.db2.gz PAXBPQYKXTWXIU-KCJUWKMLSA-N 2 1 255.312 2.436 20 0 CEADMP CO[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)C1CCCC1 ZINC000665275289 415668291 /nfs/dbraw/zinc/66/82/91/415668291.db2.gz GOBSRJZIAGRRNH-XHDPSFHLSA-N 2 1 263.385 2.350 20 0 CEADMP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(C2CC2)c1 ZINC000665292517 415680121 /nfs/dbraw/zinc/68/01/21/415680121.db2.gz BTEHSVNZFPMUCL-LLVKDONJSA-N 2 1 298.390 2.369 20 0 CEADMP C[NH2+]C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000665296842 415683797 /nfs/dbraw/zinc/68/37/97/415683797.db2.gz YREUZTCPBXHCBE-VYDXJSESSA-N 2 1 275.440 2.095 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000071146573 176042931 /nfs/dbraw/zinc/04/29/31/176042931.db2.gz OFUVZEOBPHPAEM-LBPRGKRZSA-N 2 1 295.814 2.210 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000071147580 176043641 /nfs/dbraw/zinc/04/36/41/176043641.db2.gz IDMNFOMOJGDXME-CQSZACIVSA-N 2 1 255.365 2.276 20 0 CEADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148640 176044502 /nfs/dbraw/zinc/04/45/02/176044502.db2.gz MUPNCDGKVAETBW-INIZCTEOSA-N 2 1 279.403 2.114 20 0 CEADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148642 176044513 /nfs/dbraw/zinc/04/45/13/176044513.db2.gz MUPNCDGKVAETBW-MRXNPFEDSA-N 2 1 279.403 2.114 20 0 CEADMP C[NH+](C)CCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170120 176050606 /nfs/dbraw/zinc/05/06/06/176050606.db2.gz VHBIHGSVYFEISJ-UHFFFAOYSA-N 2 1 262.397 2.441 20 0 CEADMP Cc1ncsc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000071212756 176084066 /nfs/dbraw/zinc/08/40/66/176084066.db2.gz SOYYXPCMKVINKU-JBLDHEPKSA-N 2 1 253.415 2.270 20 0 CEADMP Cc1ncsc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000071212756 176084068 /nfs/dbraw/zinc/08/40/68/176084068.db2.gz SOYYXPCMKVINKU-JBLDHEPKSA-N 2 1 253.415 2.270 20 0 CEADMP CCC(CC)[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251664 415716802 /nfs/dbraw/zinc/71/68/02/415716802.db2.gz DFLAGYFEVVJFIH-CQSZACIVSA-N 2 1 252.402 2.160 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000656469854 415725296 /nfs/dbraw/zinc/72/52/96/415725296.db2.gz IOMGJPGLFDOQEP-QGZVFWFLSA-N 2 1 295.390 2.190 20 0 CEADMP Cc1ccc(CN(C[C@@H](O)C[N@H+](C)C(C)C)C2CC2)o1 ZINC000659846766 415727438 /nfs/dbraw/zinc/72/74/38/415727438.db2.gz WWDPSDUXVTXHGU-HNNXBMFYSA-N 2 1 280.412 2.254 20 0 CEADMP C[C@@]1(c2ccccc2)CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258744 415729206 /nfs/dbraw/zinc/72/92/06/415729206.db2.gz ZOYPLDXIGULLGJ-DLBZAZTESA-N 2 1 286.419 2.171 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c2c(c1)C[NH2+]CC2 ZINC000662258557 415729841 /nfs/dbraw/zinc/72/98/41/415729841.db2.gz JWOBOXHTQAVOBU-SJLPKXTDSA-N 2 1 286.419 2.333 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c2c(c1)C[NH2+]CC2 ZINC000662265113 415733581 /nfs/dbraw/zinc/73/35/81/415733581.db2.gz NAIZLFMNLBBOHW-HKUYNNGSSA-N 3 1 299.462 2.296 20 0 CEADMP c1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c2c(c1)C[NH2+]CC2 ZINC000662265113 415733583 /nfs/dbraw/zinc/73/35/83/415733583.db2.gz NAIZLFMNLBBOHW-HKUYNNGSSA-N 2 1 299.462 2.296 20 0 CEADMP c1csc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662248750 415711206 /nfs/dbraw/zinc/71/12/06/415711206.db2.gz JCQUPNFZCSKONI-QWHCGFSZSA-N 2 1 278.421 2.406 20 0 CEADMP CC[C@](C)([NH3+])c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455506 415714876 /nfs/dbraw/zinc/71/48/76/415714876.db2.gz JUCVNDBAFSLFRQ-RDJZCZTQSA-N 2 1 299.422 2.309 20 0 CEADMP CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252205 415715704 /nfs/dbraw/zinc/71/57/04/415715704.db2.gz MGSZBANAKWEOMU-INIZCTEOSA-N 2 1 290.407 2.038 20 0 CEADMP CC[N@H+](CCc1cccs1)C[C@H](O)C[NH+](C)C(C)C ZINC000659860149 415740257 /nfs/dbraw/zinc/74/02/57/415740257.db2.gz VMYABJINBSQYIP-CQSZACIVSA-N 2 1 284.469 2.314 20 0 CEADMP CC[N@@H+](CCc1cccs1)C[C@H](O)C[NH+](C)C(C)C ZINC000659860149 415740261 /nfs/dbraw/zinc/74/02/61/415740261.db2.gz VMYABJINBSQYIP-CQSZACIVSA-N 2 1 284.469 2.314 20 0 CEADMP CC[NH+](CCc1cccs1)C[C@H](O)C[N@H+](C)C(C)C ZINC000659860149 415740264 /nfs/dbraw/zinc/74/02/64/415740264.db2.gz VMYABJINBSQYIP-CQSZACIVSA-N 2 1 284.469 2.314 20 0 CEADMP CC[NH+](CCc1cccs1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000659860149 415740269 /nfs/dbraw/zinc/74/02/69/415740269.db2.gz VMYABJINBSQYIP-CQSZACIVSA-N 2 1 284.469 2.314 20 0 CEADMP CC[N@H+](CCc1cccs1)C[C@@H](O)C[NH+](C)C(C)C ZINC000659860148 415740739 /nfs/dbraw/zinc/74/07/39/415740739.db2.gz VMYABJINBSQYIP-AWEZNQCLSA-N 2 1 284.469 2.314 20 0 CEADMP CC[N@@H+](CCc1cccs1)C[C@@H](O)C[NH+](C)C(C)C ZINC000659860148 415740744 /nfs/dbraw/zinc/74/07/44/415740744.db2.gz VMYABJINBSQYIP-AWEZNQCLSA-N 2 1 284.469 2.314 20 0 CEADMP CC[NH+](CCc1cccs1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000659860148 415740748 /nfs/dbraw/zinc/74/07/48/415740748.db2.gz VMYABJINBSQYIP-AWEZNQCLSA-N 2 1 284.469 2.314 20 0 CEADMP CC[NH+](CCc1cccs1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659860148 415740752 /nfs/dbraw/zinc/74/07/52/415740752.db2.gz VMYABJINBSQYIP-AWEZNQCLSA-N 2 1 284.469 2.314 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc(C)n1 ZINC000662272592 415740692 /nfs/dbraw/zinc/74/06/92/415740692.db2.gz GHWRYHITTCKLPW-JKSUJKDBSA-N 2 1 288.439 2.305 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662272635 415737481 /nfs/dbraw/zinc/73/74/81/415737481.db2.gz HGBVPBYTKKYMRE-CQSZACIVSA-N 2 1 298.333 2.221 20 0 CEADMP Nc1cccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000659882487 415760594 /nfs/dbraw/zinc/76/05/94/415760594.db2.gz HJGORZQJYBYNDP-HNNXBMFYSA-N 2 1 256.353 2.302 20 0 CEADMP Cc1[nH+]ccn1CCCN1C[C@H]([NH3+])CCc2ccccc21 ZINC000662302982 415764827 /nfs/dbraw/zinc/76/48/27/415764827.db2.gz QSTGTVRIQLXSBW-MRXNPFEDSA-N 2 1 284.407 2.362 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)[C@@H]1CCC[NH3+] ZINC000662315540 415773285 /nfs/dbraw/zinc/77/32/85/415773285.db2.gz HOEBYRBKCRPNMK-RBSFLKMASA-N 2 1 254.418 2.395 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCc2ccccc2)CCO1 ZINC000662320148 415776357 /nfs/dbraw/zinc/77/63/57/415776357.db2.gz RSKGLKWRDIZEDF-QGZVFWFLSA-N 2 1 276.424 2.272 20 0 CEADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662317809 415776540 /nfs/dbraw/zinc/77/65/40/415776540.db2.gz SSZLTGINBODNSD-LSDHHAIUSA-N 2 1 264.413 2.020 20 0 CEADMP Fc1ccc(C2([NH2+]C[C@H]3CNCCO3)CCCC2)c(F)c1 ZINC000662283586 415750834 /nfs/dbraw/zinc/75/08/34/415750834.db2.gz VELZFWVYIROBQN-CYBMUJFWSA-N 2 1 296.361 2.312 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(C)(C)C ZINC000659879985 415756258 /nfs/dbraw/zinc/75/62/58/415756258.db2.gz FYMYOZYXFVGHJA-KGLIPLIRSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000659879985 415756265 /nfs/dbraw/zinc/75/62/65/415756265.db2.gz FYMYOZYXFVGHJA-KGLIPLIRSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000659879985 415756272 /nfs/dbraw/zinc/75/62/72/415756272.db2.gz FYMYOZYXFVGHJA-KGLIPLIRSA-N 2 1 256.434 2.198 20 0 CEADMP C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)[C@H]1CCCO1 ZINC000662296417 415759189 /nfs/dbraw/zinc/75/91/89/415759189.db2.gz ZQXXGLALMIBWAF-JKSUJKDBSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000659997595 415836853 /nfs/dbraw/zinc/83/68/53/415836853.db2.gz UFFXAZIYOLKCIA-RDJZCZTQSA-N 2 1 294.414 2.316 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000659997595 415836854 /nfs/dbraw/zinc/83/68/54/415836854.db2.gz UFFXAZIYOLKCIA-RDJZCZTQSA-N 2 1 294.414 2.316 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000659997595 415836858 /nfs/dbraw/zinc/83/68/58/415836858.db2.gz UFFXAZIYOLKCIA-RDJZCZTQSA-N 2 1 294.414 2.316 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000659997595 415836862 /nfs/dbraw/zinc/83/68/62/415836862.db2.gz UFFXAZIYOLKCIA-RDJZCZTQSA-N 2 1 294.414 2.316 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000659997594 415839432 /nfs/dbraw/zinc/83/94/32/415839432.db2.gz UFFXAZIYOLKCIA-NVXWUHKLSA-N 2 1 294.414 2.316 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000659997594 415839436 /nfs/dbraw/zinc/83/94/36/415839436.db2.gz UFFXAZIYOLKCIA-NVXWUHKLSA-N 2 1 294.414 2.316 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000659997594 415839440 /nfs/dbraw/zinc/83/94/40/415839440.db2.gz UFFXAZIYOLKCIA-NVXWUHKLSA-N 2 1 294.414 2.316 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000659997594 415839443 /nfs/dbraw/zinc/83/94/43/415839443.db2.gz UFFXAZIYOLKCIA-NVXWUHKLSA-N 2 1 294.414 2.316 20 0 CEADMP CC(C)C[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325235 415780176 /nfs/dbraw/zinc/78/01/76/415780176.db2.gz DEASBRUIGNASOW-CABCVRRESA-N 2 1 256.434 2.464 20 0 CEADMP FC1(F)C[C@@H]1OCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659943362 415796118 /nfs/dbraw/zinc/79/61/18/415796118.db2.gz BQLSYVNJDLKMKO-KGLIPLIRSA-N 2 1 288.382 2.361 20 0 CEADMP FC1(F)C[C@@H]1OCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659943362 415796122 /nfs/dbraw/zinc/79/61/22/415796122.db2.gz BQLSYVNJDLKMKO-KGLIPLIRSA-N 2 1 288.382 2.361 20 0 CEADMP CO[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CCC1 ZINC000659946137 415799716 /nfs/dbraw/zinc/79/97/16/415799716.db2.gz DJRABGXISSLYNX-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C1CCC1 ZINC000659946137 415799722 /nfs/dbraw/zinc/79/97/22/415799722.db2.gz DJRABGXISSLYNX-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000659946137 415799725 /nfs/dbraw/zinc/79/97/25/415799725.db2.gz DJRABGXISSLYNX-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2CC=CC2)C1 ZINC000659978127 415823624 /nfs/dbraw/zinc/82/36/24/415823624.db2.gz AEJAOWWPHQJQSE-MRXNPFEDSA-N 2 1 266.429 2.385 20 0 CEADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000656698790 415823763 /nfs/dbraw/zinc/82/37/63/415823763.db2.gz OGHBFNUWPCOHDZ-JKSUJKDBSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)C[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000656698790 415823766 /nfs/dbraw/zinc/82/37/66/415823766.db2.gz OGHBFNUWPCOHDZ-JKSUJKDBSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000656698790 415823770 /nfs/dbraw/zinc/82/37/70/415823770.db2.gz OGHBFNUWPCOHDZ-JKSUJKDBSA-N 2 1 270.461 2.446 20 0 CEADMP CN(C)c1cc(NC(=O)c2cccc3c2C[NH2+]C3)cc[nH+]1 ZINC000662537458 415879236 /nfs/dbraw/zinc/87/92/36/415879236.db2.gz KSXGYYNNLLVAMK-UHFFFAOYSA-N 2 1 282.347 2.003 20 0 CEADMP C[C@H]1C[N@@H+](CCC2CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660155210 415907991 /nfs/dbraw/zinc/90/79/91/415907991.db2.gz MRKKHJDYXRHMGE-RDJZCZTQSA-N 2 1 279.472 2.134 20 0 CEADMP CC(C)[NH2+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000662459256 415853028 /nfs/dbraw/zinc/85/30/28/415853028.db2.gz DZRLYLHLQLUSMH-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP COCCOc1cccc(C[NH2+]CC2([NH3+])CCCC2)c1 ZINC000656788127 415861772 /nfs/dbraw/zinc/86/17/72/415861772.db2.gz CQORCIHEKOAVFV-UHFFFAOYSA-N 2 1 278.396 2.073 20 0 CEADMP COC[C@@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000656790479 415863930 /nfs/dbraw/zinc/86/39/30/415863930.db2.gz UZZQZHJGFAPDEP-IAOVAPTHSA-N 2 1 292.423 2.013 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C[NH3+])CC(C)C)[C@H](C)C1 ZINC000662746099 415950897 /nfs/dbraw/zinc/95/08/97/415950897.db2.gz QKHHDGBNYQRYDU-PMPSAXMXSA-N 2 1 297.487 2.186 20 0 CEADMP COCC1(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000566738382 299019223 /nfs/dbraw/zinc/01/92/23/299019223.db2.gz YFXDVPOLMOBUSN-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@@](C)(O)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000364613081 287393350 /nfs/dbraw/zinc/39/33/50/287393350.db2.gz OJDCKIHIZDBUCF-GDBMZVCRSA-N 2 1 280.456 2.344 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cnc3ccccn23)CCCCCC1 ZINC000666808123 419434898 /nfs/dbraw/zinc/43/48/98/419434898.db2.gz UESGVWPDKCBFRV-UHFFFAOYSA-N 2 1 272.396 2.476 20 0 CEADMP COc1nc2ccccc2cc1C[NH2+][C@H](C)CC[NH3+] ZINC000666832330 419443361 /nfs/dbraw/zinc/44/33/61/419443361.db2.gz KLVGOIQSWIZMCU-LLVKDONJSA-N 2 1 259.353 2.070 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000666886282 419458205 /nfs/dbraw/zinc/45/82/05/419458205.db2.gz IWWHXWGLXMIYQT-GZBFAFLISA-N 2 1 260.381 2.283 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000666966072 419495021 /nfs/dbraw/zinc/49/50/21/419495021.db2.gz GYTGRWABTZMRQZ-DOMZBBRYSA-N 2 1 260.381 2.283 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c2c(c1)OCCO2 ZINC000666998183 419507507 /nfs/dbraw/zinc/50/75/07/419507507.db2.gz HACAOJLRPDFTMI-AWEZNQCLSA-N 2 1 288.391 2.222 20 0 CEADMP COCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CCCC1 ZINC000666624769 419751898 /nfs/dbraw/zinc/75/18/98/419751898.db2.gz LOZLUQKYDMSNLD-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)C1CCC1 ZINC000449107152 260220961 /nfs/dbraw/zinc/22/09/61/260220961.db2.gz ORHRPASGJFPGPM-OAHLLOKOSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CCCC23CC3)CCOCC1 ZINC000517964313 260327673 /nfs/dbraw/zinc/32/76/73/260327673.db2.gz AWKKIQCHENVNEZ-ZDUSSCGKSA-N 2 1 252.402 2.020 20 0 CEADMP CCOC(=O)N[C@H](C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1)CC(C)C ZINC000497215089 262108527 /nfs/dbraw/zinc/10/85/27/262108527.db2.gz PSHIKWKZTCCMPW-ZNMIVQPWSA-N 2 1 299.459 2.267 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000521029707 262173546 /nfs/dbraw/zinc/17/35/46/262173546.db2.gz NQQQSHUEQAIUHU-LZLYRXPVSA-N 2 1 290.451 2.473 20 0 CEADMP C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488424069 262318227 /nfs/dbraw/zinc/31/82/27/262318227.db2.gz CFQSCFFSAOMLEY-PBHICJAKSA-N 2 1 274.408 2.264 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCC[NH+](C)C2CC2)[C@H](C)C1 ZINC000453413849 263269828 /nfs/dbraw/zinc/26/98/28/263269828.db2.gz WNHOYTODXIFBCS-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)[C@H](C)C1 ZINC000453413849 263269829 /nfs/dbraw/zinc/26/98/29/263269829.db2.gz WNHOYTODXIFBCS-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@H](C)C1 ZINC000453413849 263269830 /nfs/dbraw/zinc/26/98/30/263269830.db2.gz WNHOYTODXIFBCS-ZBFHGGJFSA-N 3 1 267.461 2.181 20 0 CEADMP CCN1CC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)[C@H](C)C1 ZINC000453413849 263269832 /nfs/dbraw/zinc/26/98/32/263269832.db2.gz WNHOYTODXIFBCS-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP CCN1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@H](C)C1 ZINC000453413849 263269834 /nfs/dbraw/zinc/26/98/34/263269834.db2.gz WNHOYTODXIFBCS-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]([NH3+])CC(C)C)cc1OC ZINC000107760042 270233247 /nfs/dbraw/zinc/23/32/47/270233247.db2.gz UTYNGIFTDQUVEY-CYBMUJFWSA-N 2 1 266.385 2.167 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccccc2C)[C@H](C)C1 ZINC000191563896 270273761 /nfs/dbraw/zinc/27/37/61/270273761.db2.gz CPIVZQXZQVAYDL-NJAFHUGGSA-N 2 1 290.451 2.218 20 0 CEADMP CC[C@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192755815 270280102 /nfs/dbraw/zinc/28/01/02/270280102.db2.gz UPIFZVWHNGXHMK-INIZCTEOSA-N 2 1 267.461 2.134 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(F)c1 ZINC000228622633 270312592 /nfs/dbraw/zinc/31/25/92/270312592.db2.gz YUIKUGKJXKZBDA-QWRGUYRKSA-N 2 1 252.333 2.003 20 0 CEADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(F)c1 ZINC000228622633 270312593 /nfs/dbraw/zinc/31/25/93/270312593.db2.gz YUIKUGKJXKZBDA-QWRGUYRKSA-N 2 1 252.333 2.003 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000259059927 270329222 /nfs/dbraw/zinc/32/92/22/270329222.db2.gz QDABIYAPOYFGQR-RYUDHWBXSA-N 2 1 254.761 2.318 20 0 CEADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000316703832 270334784 /nfs/dbraw/zinc/33/47/84/270334784.db2.gz FOZGOZWTAJSIDD-GOSISDBHSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000398011098 270355494 /nfs/dbraw/zinc/35/54/94/270355494.db2.gz CXXGTDNKOKIWQN-DZJNRPSUSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000398011098 270355496 /nfs/dbraw/zinc/35/54/96/270355496.db2.gz CXXGTDNKOKIWQN-DZJNRPSUSA-N 2 1 288.435 2.400 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]CCOC(F)(F)F)c2ccccc21 ZINC000398194370 270357403 /nfs/dbraw/zinc/35/74/03/270357403.db2.gz TUSZBYDDFYLDIW-MNOVXSKESA-N 2 1 260.259 2.257 20 0 CEADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420358369 270525054 /nfs/dbraw/zinc/52/50/54/270525054.db2.gz IMQVKMAADJCQON-QLFBSQMISA-N 2 1 295.471 2.001 20 0 CEADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422778552 270763670 /nfs/dbraw/zinc/76/36/70/270763670.db2.gz DUMOARGJAYWPOZ-SJORKVTESA-N 3 1 275.440 2.498 20 0 CEADMP C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000423069281 270826820 /nfs/dbraw/zinc/82/68/20/270826820.db2.gz DMRHBZLBBNIQFS-YUELXQCFSA-N 2 1 254.418 2.048 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423182601 270862912 /nfs/dbraw/zinc/86/29/12/270862912.db2.gz QNDSNHSBKQTULR-NSHDSACASA-N 2 1 250.390 2.041 20 0 CEADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(OC)c(OC)c1 ZINC000423284222 270889347 /nfs/dbraw/zinc/88/93/47/270889347.db2.gz WRNGPXBXFPENKP-KBPBESRZSA-N 2 1 278.396 2.482 20 0 CEADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C[C@H]2C1 ZINC000424256086 271036212 /nfs/dbraw/zinc/03/62/12/271036212.db2.gz AHFVGIKYNLTDSV-KDEOKCCVSA-N 2 1 278.440 2.264 20 0 CEADMP CCc1nc(C)c(C[N@@H+](C)CCCn2ccnc2)o1 ZINC000428298613 271255056 /nfs/dbraw/zinc/25/50/56/271255056.db2.gz IQNJSJQKLWZXHQ-UHFFFAOYSA-N 2 1 262.357 2.264 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000430569000 271392456 /nfs/dbraw/zinc/39/24/56/271392456.db2.gz DMLWEXDYLNMWHW-OLZOCXBDSA-N 2 1 266.360 2.264 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2nc3ccccc3n2C)C1 ZINC000430582896 271395469 /nfs/dbraw/zinc/39/54/69/271395469.db2.gz LJIIGWNQIXYDGP-KGLIPLIRSA-N 2 1 286.423 2.175 20 0 CEADMP C[C@@H]1C[N@@H+](CCCOCCc2ccccc2)CC[C@@H]1[NH3+] ZINC000430921911 271414014 /nfs/dbraw/zinc/41/40/14/271414014.db2.gz VSGBNPKTDTXUNS-WBVHZDCISA-N 2 1 276.424 2.305 20 0 CEADMP C[C@@H](C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)C[NH+]1CCCC1 ZINC000433334388 271540733 /nfs/dbraw/zinc/54/07/33/271540733.db2.gz KUFVWKULTSFRQH-ZDUSSCGKSA-N 2 1 288.395 2.491 20 0 CEADMP Cn1c(N[C@H]2CCC[C@@H]([NH+](C)C)C2)[nH+]c2cccc(F)c21 ZINC000443511627 271862736 /nfs/dbraw/zinc/86/27/36/271862736.db2.gz QOGLJWHNUVJKDL-NWDGAFQWSA-N 2 1 290.386 2.419 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247267113 280324538 /nfs/dbraw/zinc/32/45/38/280324538.db2.gz ZPHQCIMYZXIRIA-RBSFLKMASA-N 2 1 255.450 2.037 20 0 CEADMP c1cc2c(nc[nH+]c2N2CCC[C@@H]([NH+]3CCCC3)CC2)[nH]1 ZINC000265570036 275064871 /nfs/dbraw/zinc/06/48/71/275064871.db2.gz LHFXWWYESLBTDQ-CYBMUJFWSA-N 2 1 285.395 2.413 20 0 CEADMP C([C@@H]1CCCOC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000334155718 275396862 /nfs/dbraw/zinc/39/68/62/275396862.db2.gz WCLUEEFIRVQDLY-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]2CCCO[C@H]21 ZINC000227081960 275889490 /nfs/dbraw/zinc/88/94/90/275889490.db2.gz PGVWFYHKOYQLLI-ARFHVFGLSA-N 2 1 278.440 2.406 20 0 CEADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154356277 276016076 /nfs/dbraw/zinc/01/60/76/276016076.db2.gz DBGIJSOBMQYYEX-SJORKVTESA-N 2 1 278.440 2.156 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)O1 ZINC000372351016 276117202 /nfs/dbraw/zinc/11/72/02/276117202.db2.gz ZDYOECPTRPXLAH-KLHDSHLOSA-N 2 1 278.440 2.360 20 0 CEADMP CC1(C)CC[C@H](C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)O1 ZINC000372351016 276117204 /nfs/dbraw/zinc/11/72/04/276117204.db2.gz ZDYOECPTRPXLAH-KLHDSHLOSA-N 2 1 278.440 2.360 20 0 CEADMP CC1(C)CC[C@H](C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)O1 ZINC000372351016 276117205 /nfs/dbraw/zinc/11/72/05/276117205.db2.gz ZDYOECPTRPXLAH-KLHDSHLOSA-N 2 1 278.440 2.360 20 0 CEADMP CCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000311730483 276219447 /nfs/dbraw/zinc/21/94/47/276219447.db2.gz YWLIYMKCSAVZCC-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000356792589 276228337 /nfs/dbraw/zinc/22/83/37/276228337.db2.gz UQWJDDBQWVZYFM-GJZGRUSLSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000356792589 276228339 /nfs/dbraw/zinc/22/83/39/276228339.db2.gz UQWJDDBQWVZYFM-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000155989573 276258343 /nfs/dbraw/zinc/25/83/43/276258343.db2.gz XJNFIMZZOSKITD-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000155989835 276258384 /nfs/dbraw/zinc/25/83/84/276258384.db2.gz LFUHVAHTMQEHDU-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000155989835 276258386 /nfs/dbraw/zinc/25/83/86/276258386.db2.gz LFUHVAHTMQEHDU-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000155989835 276258388 /nfs/dbraw/zinc/25/83/88/276258388.db2.gz LFUHVAHTMQEHDU-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCn1cccn1 ZINC000353975187 276262289 /nfs/dbraw/zinc/26/22/89/276262289.db2.gz UPWZSJDXKVMPBV-CABCVRRESA-N 2 1 264.417 2.126 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCn1cccn1 ZINC000353975187 276262290 /nfs/dbraw/zinc/26/22/90/276262290.db2.gz UPWZSJDXKVMPBV-CABCVRRESA-N 2 1 264.417 2.126 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000088402616 276383357 /nfs/dbraw/zinc/38/33/57/276383357.db2.gz GYAFZQLVYKFBGS-OAHLLOKOSA-N 2 1 292.423 2.396 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000088402616 276383360 /nfs/dbraw/zinc/38/33/60/276383360.db2.gz GYAFZQLVYKFBGS-OAHLLOKOSA-N 2 1 292.423 2.396 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C12CCC2 ZINC000344026001 276474253 /nfs/dbraw/zinc/47/42/53/276474253.db2.gz SQIATXCFVGIUCN-RRFJBIMHSA-N 2 1 266.429 2.264 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H]2CCOC3(CCC3)C2)CC1 ZINC000334679013 276888063 /nfs/dbraw/zinc/88/80/63/276888063.db2.gz PVDDJJIZPLDQQI-ZDUSSCGKSA-N 2 1 252.402 2.020 20 0 CEADMP C[NH+]1CCC(CC[NH2+][C@H]2CCCc3[nH]ncc32)CC1 ZINC000367601659 277026382 /nfs/dbraw/zinc/02/63/82/277026382.db2.gz OUABHAGAIIURIQ-AWEZNQCLSA-N 2 1 262.401 2.109 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(C1)CCCOC2 ZINC000341990056 277044446 /nfs/dbraw/zinc/04/44/46/277044446.db2.gz LKNNJWJHHZIXOT-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341990056 277044447 /nfs/dbraw/zinc/04/44/47/277044447.db2.gz LKNNJWJHHZIXOT-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341990056 277044448 /nfs/dbraw/zinc/04/44/48/277044448.db2.gz LKNNJWJHHZIXOT-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342043467 277060242 /nfs/dbraw/zinc/06/02/42/277060242.db2.gz GTJHORSIAHYDFP-RBSFLKMASA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342043467 277060243 /nfs/dbraw/zinc/06/02/43/277060243.db2.gz GTJHORSIAHYDFP-RBSFLKMASA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342043467 277060244 /nfs/dbraw/zinc/06/02/44/277060244.db2.gz GTJHORSIAHYDFP-RBSFLKMASA-N 2 1 252.402 2.114 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC000353929729 277065421 /nfs/dbraw/zinc/06/54/21/277065421.db2.gz FJINGOACVOMVMM-WWGRRREGSA-N 2 1 294.439 2.181 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CC3CC(F)(F)C3)CC[C@@H]21 ZINC000336203031 277083498 /nfs/dbraw/zinc/08/34/98/277083498.db2.gz UDKABIZOADWKHJ-STQMWFEESA-N 2 1 258.356 2.448 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CC3CC(F)(F)C3)CC[C@@H]21 ZINC000336203031 277083499 /nfs/dbraw/zinc/08/34/99/277083499.db2.gz UDKABIZOADWKHJ-STQMWFEESA-N 2 1 258.356 2.448 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3CC(F)(F)C3)CC[C@@H]21 ZINC000336203031 277083500 /nfs/dbraw/zinc/08/35/00/277083500.db2.gz UDKABIZOADWKHJ-STQMWFEESA-N 2 1 258.356 2.448 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3Cc4ccccc4[C@H]3O)C2)C1 ZINC000293010653 277087166 /nfs/dbraw/zinc/08/71/66/277087166.db2.gz PRDIMNOVGPPOLL-KURKYZTESA-N 2 1 286.419 2.062 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3Cc4ccccc4[C@H]3O)C2)C1 ZINC000293010653 277087167 /nfs/dbraw/zinc/08/71/67/277087167.db2.gz PRDIMNOVGPPOLL-KURKYZTESA-N 2 1 286.419 2.062 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3Cc4ccccc4[C@H]3O)C2)C1 ZINC000293010653 277087168 /nfs/dbraw/zinc/08/71/68/277087168.db2.gz PRDIMNOVGPPOLL-KURKYZTESA-N 2 1 286.419 2.062 20 0 CEADMP CC(C)(C)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000130213204 277152211 /nfs/dbraw/zinc/15/22/11/277152211.db2.gz FWYRYZGYMQFIJC-HZPDHXFCSA-N 2 1 279.472 2.466 20 0 CEADMP CC(C)(C)OCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000058396310 277214072 /nfs/dbraw/zinc/21/40/72/277214072.db2.gz VCYACICUVIEOKN-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP COC[C@H]1CCCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000342562422 277265378 /nfs/dbraw/zinc/26/53/78/277265378.db2.gz CKRASFUBSURROP-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@H]1CCCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000342562422 277265379 /nfs/dbraw/zinc/26/53/79/277265379.db2.gz CKRASFUBSURROP-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@H]1CCCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000342562422 277265380 /nfs/dbraw/zinc/26/53/80/277265380.db2.gz CKRASFUBSURROP-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414830323 277483715 /nfs/dbraw/zinc/48/37/15/277483715.db2.gz AXBYZXNOFHVJJA-UKRRQHHQSA-N 2 1 256.434 2.402 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1C[C@H]2CCCCN2C1=O ZINC000415096746 278216724 /nfs/dbraw/zinc/21/67/24/278216724.db2.gz QNNHHFDJGGZQMN-QKPAOTATSA-N 2 1 293.455 2.040 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000358037100 278257293 /nfs/dbraw/zinc/25/72/93/278257293.db2.gz MFAAYFVNTUKURP-XHSDSOJGSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H]1CCCOC1 ZINC000111317677 278332197 /nfs/dbraw/zinc/33/21/97/278332197.db2.gz VULLJBHXCVFERV-GJZGRUSLSA-N 2 1 254.418 2.267 20 0 CEADMP CC[NH+](CC)CCCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000191809060 279095978 /nfs/dbraw/zinc/09/59/78/279095978.db2.gz VTLWAZZZGDVPIT-CVEARBPZSA-N 2 1 267.461 2.134 20 0 CEADMP CC[NH+](CC)CCCN1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000338291284 279096310 /nfs/dbraw/zinc/09/63/10/279096310.db2.gz YKSXCPAJSCCQTP-LSDHHAIUSA-N 2 1 255.450 2.133 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC1CC1 ZINC000360956092 279121000 /nfs/dbraw/zinc/12/10/00/279121000.db2.gz LJULCHNCTDSKAS-DZKIICNBSA-N 2 1 295.471 2.144 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000355295024 279160844 /nfs/dbraw/zinc/16/08/44/279160844.db2.gz UMEJNDDNGZWIEH-KBUPBQIOSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOCC2(CC2)C1 ZINC000360096386 279170560 /nfs/dbraw/zinc/17/05/60/279170560.db2.gz FYVBKOOQBGWBMA-UHFFFAOYSA-N 2 1 263.385 2.084 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOCC2(CC2)C1 ZINC000360096386 279170561 /nfs/dbraw/zinc/17/05/61/279170561.db2.gz FYVBKOOQBGWBMA-UHFFFAOYSA-N 2 1 263.385 2.084 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000414699728 279179540 /nfs/dbraw/zinc/17/95/40/279179540.db2.gz SAUJFLQPYHNPNO-GJZGRUSLSA-N 2 1 297.487 2.234 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000414699728 279179541 /nfs/dbraw/zinc/17/95/41/279179541.db2.gz SAUJFLQPYHNPNO-GJZGRUSLSA-N 2 1 297.487 2.234 20 0 CEADMP CC[N@H+](CC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)C(C)C ZINC000348122636 279207268 /nfs/dbraw/zinc/20/72/68/279207268.db2.gz KSPFVLRFODUUMT-NWDGAFQWSA-N 2 1 282.350 2.416 20 0 CEADMP CC[N@@H+](CC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)C(C)C ZINC000348122636 279207271 /nfs/dbraw/zinc/20/72/71/279207271.db2.gz KSPFVLRFODUUMT-NWDGAFQWSA-N 2 1 282.350 2.416 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000250313136 279315115 /nfs/dbraw/zinc/31/51/15/279315115.db2.gz MCTNZOVHGFCALI-BZUAXINKSA-N 2 1 267.461 2.371 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000300413136 279355016 /nfs/dbraw/zinc/35/50/16/279355016.db2.gz YQJVUOGVHDUNJD-RBSFLKMASA-N 2 1 255.450 2.035 20 0 CEADMP CC(C)[NH+](C)CCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000300413136 279355018 /nfs/dbraw/zinc/35/50/18/279355018.db2.gz YQJVUOGVHDUNJD-RBSFLKMASA-N 2 1 255.450 2.035 20 0 CEADMP CC(C)[NH+](C)CCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000300413136 279355022 /nfs/dbraw/zinc/35/50/22/279355022.db2.gz YQJVUOGVHDUNJD-RBSFLKMASA-N 2 1 255.450 2.035 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000300413136 279355023 /nfs/dbraw/zinc/35/50/23/279355023.db2.gz YQJVUOGVHDUNJD-RBSFLKMASA-N 3 1 255.450 2.035 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000300413136 279355028 /nfs/dbraw/zinc/35/50/28/279355028.db2.gz YQJVUOGVHDUNJD-RBSFLKMASA-N 3 1 255.450 2.035 20 0 CEADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000300413136 279355030 /nfs/dbraw/zinc/35/50/30/279355030.db2.gz YQJVUOGVHDUNJD-RBSFLKMASA-N 3 1 255.450 2.035 20 0 CEADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000300413136 279355034 /nfs/dbraw/zinc/35/50/34/279355034.db2.gz YQJVUOGVHDUNJD-RBSFLKMASA-N 3 1 255.450 2.035 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000311185885 279383894 /nfs/dbraw/zinc/38/38/94/279383894.db2.gz BVXLXDUDQODCKH-UONOGXRCSA-N 2 1 254.418 2.406 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000311185885 279383896 /nfs/dbraw/zinc/38/38/96/279383896.db2.gz BVXLXDUDQODCKH-UONOGXRCSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H]1C[NH+](CCCCC[N@H+]2CCCO[C@H](C)C2)CCCO1 ZINC000172654361 288158178 /nfs/dbraw/zinc/15/81/78/288158178.db2.gz VWLMEDBJRQFVNA-IAGOWNOFSA-N 2 1 298.471 2.378 20 0 CEADMP C[C@H]1C[C@H](N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1C ZINC000153681270 280013355 /nfs/dbraw/zinc/01/33/55/280013355.db2.gz BYFZHBAMWXPBQL-RRFJBIMHSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]1C[C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1C ZINC000153681270 280013358 /nfs/dbraw/zinc/01/33/58/280013358.db2.gz BYFZHBAMWXPBQL-RRFJBIMHSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]1C[C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1C ZINC000153681270 280013359 /nfs/dbraw/zinc/01/33/59/280013359.db2.gz BYFZHBAMWXPBQL-RRFJBIMHSA-N 2 1 265.445 2.076 20 0 CEADMP CCCCNC(=O)[C@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191779435 280175149 /nfs/dbraw/zinc/17/51/49/280175149.db2.gz YZRRAKDMCZZMIO-INIZCTEOSA-N 2 1 297.487 2.347 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000236827415 280222199 /nfs/dbraw/zinc/22/21/99/280222199.db2.gz SGKMORHRQLEKTN-KGLIPLIRSA-N 2 1 292.427 2.030 20 0 CEADMP CCCC[C@H](C[NH3+])NC(=O)CCn1cc[nH+]c1C(C)C ZINC000236888051 280223586 /nfs/dbraw/zinc/22/35/86/280223586.db2.gz PQLOBTXHUWVPPJ-CYBMUJFWSA-N 2 1 280.416 2.030 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000361398920 280254883 /nfs/dbraw/zinc/25/48/83/280254883.db2.gz XESWFYPHWDYBPT-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000361398920 280254884 /nfs/dbraw/zinc/25/48/84/280254884.db2.gz XESWFYPHWDYBPT-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000361398920 280254885 /nfs/dbraw/zinc/25/48/85/280254885.db2.gz XESWFYPHWDYBPT-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@@H+](CC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C1CC1 ZINC000246471972 280296057 /nfs/dbraw/zinc/29/60/57/280296057.db2.gz FZFKBAOYVBHYAX-RHSMWYFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC000246989792 280317226 /nfs/dbraw/zinc/31/72/26/280317226.db2.gz JIXORHHSTGJCKF-IBEHDNSVSA-N 2 1 268.445 2.246 20 0 CEADMP C[NH+](CCCCC[N@H+](C)C[C@H]1CCOC1)C[C@@H]1CCOC1 ZINC000247111206 280320653 /nfs/dbraw/zinc/32/06/53/280320653.db2.gz RAZJSJYSNICWOE-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP C[NH+](CCCCC[N@H+](C)C[C@@H]1CCOC1)C[C@H]1CCOC1 ZINC000247111206 280320657 /nfs/dbraw/zinc/32/06/57/280320657.db2.gz RAZJSJYSNICWOE-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP C[NH+](CCCCC[N@@H+](C)C[C@@H]1CCOC1)C[C@H]1CCOC1 ZINC000247111206 280320660 /nfs/dbraw/zinc/32/06/60/280320660.db2.gz RAZJSJYSNICWOE-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000247267113 280324531 /nfs/dbraw/zinc/32/45/31/280324531.db2.gz ZPHQCIMYZXIRIA-RBSFLKMASA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247267113 280324534 /nfs/dbraw/zinc/32/45/34/280324534.db2.gz ZPHQCIMYZXIRIA-RBSFLKMASA-N 2 1 255.450 2.037 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC[NH+](C(C)C)C(C)C)[C@@H](C)C1 ZINC000247979005 280341567 /nfs/dbraw/zinc/34/15/67/280341567.db2.gz LZUUUHDUUWLYAI-JKSUJKDBSA-N 2 1 269.477 2.425 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000248084986 280342337 /nfs/dbraw/zinc/34/23/37/280342337.db2.gz SOOPSSSKBUBPFL-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000248084986 280342338 /nfs/dbraw/zinc/34/23/38/280342338.db2.gz SOOPSSSKBUBPFL-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000248084986 280342339 /nfs/dbraw/zinc/34/23/39/280342339.db2.gz SOOPSSSKBUBPFL-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000248084986 280342340 /nfs/dbraw/zinc/34/23/40/280342340.db2.gz SOOPSSSKBUBPFL-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccoc1 ZINC000248135093 280342781 /nfs/dbraw/zinc/34/27/81/280342781.db2.gz OXVLFEKYNIMPHQ-ZFWWWQNUSA-N 2 1 266.385 2.167 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000248809726 280365414 /nfs/dbraw/zinc/36/54/14/280365414.db2.gz HNTRZOWDSGFAIM-BURFUSLBSA-N 2 1 290.451 2.217 20 0 CEADMP Cc1ccc(C[NH2+]C[C@H](C)C[NH3+])c(Br)c1 ZINC000414885511 280827792 /nfs/dbraw/zinc/82/77/92/280827792.db2.gz XBMAXRLMLYREGN-SNVBAGLBSA-N 2 1 271.202 2.442 20 0 CEADMP CSc1cc(C)ccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422873761 280943409 /nfs/dbraw/zinc/94/34/09/280943409.db2.gz MCAHZFPJJPYEBB-NSHDSACASA-N 2 1 250.411 2.414 20 0 CEADMP Cc1cnc([C@@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000423032232 281003111 /nfs/dbraw/zinc/00/31/11/281003111.db2.gz FCDPHTFDFJPLEM-MVWJERBFSA-N 2 1 253.415 2.285 20 0 CEADMP COC1CCC(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423037634 281004294 /nfs/dbraw/zinc/00/42/94/281004294.db2.gz NFFLHWBEGNERHZ-URGYJCLVSA-N 2 1 254.418 2.169 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000423048144 281009479 /nfs/dbraw/zinc/00/94/79/281009479.db2.gz IFASAFCQKSGWEO-SIXLDLHFSA-N 2 1 274.408 2.494 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000423049417 281009989 /nfs/dbraw/zinc/00/99/89/281009989.db2.gz XLVCNHFKXXUHMQ-AJNGGQMLSA-N 2 1 267.461 2.355 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423049417 281009993 /nfs/dbraw/zinc/00/99/93/281009993.db2.gz XLVCNHFKXXUHMQ-AJNGGQMLSA-N 3 1 267.461 2.355 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000423049417 281009995 /nfs/dbraw/zinc/00/99/95/281009995.db2.gz XLVCNHFKXXUHMQ-AJNGGQMLSA-N 3 1 267.461 2.355 20 0 CEADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423054432 281013131 /nfs/dbraw/zinc/01/31/31/281013131.db2.gz UKJKIVFOGKJPJW-AJNGGQMLSA-N 2 1 254.418 2.310 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000423057705 281013163 /nfs/dbraw/zinc/01/31/63/281013163.db2.gz ZSCGKSUQEFBOFX-HUUCEWRRSA-N 3 1 255.450 2.358 20 0 CEADMP COCCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423331347 281024422 /nfs/dbraw/zinc/02/44/22/281024422.db2.gz QAFCFEJIFYWVBH-ZDUSSCGKSA-N 2 1 278.396 2.244 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423434688 281040525 /nfs/dbraw/zinc/04/05/25/281040525.db2.gz DHVQMSHWCWUIDF-DCAQKATOSA-N 2 1 275.396 2.303 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000423440091 281043423 /nfs/dbraw/zinc/04/34/23/281043423.db2.gz ALGXAJUCHGTIBO-STQMWFEESA-N 2 1 266.385 2.482 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCCOC)cc1 ZINC000423465752 281049225 /nfs/dbraw/zinc/04/92/25/281049225.db2.gz NBIQHGYKRKHIHY-TZMCWYRMSA-N 2 1 266.385 2.100 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000423477732 281053049 /nfs/dbraw/zinc/05/30/49/281053049.db2.gz UBZCLFJKDIYXOY-ZIAGYGMSSA-N 2 1 264.369 2.251 20 0 CEADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)C1CCCC1 ZINC000423514381 281059442 /nfs/dbraw/zinc/05/94/42/281059442.db2.gz WJQDYTWMKXLCQV-JKSUJKDBSA-N 2 1 274.408 2.487 20 0 CEADMP CCc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C(C)C)cc1 ZINC000423514696 281059450 /nfs/dbraw/zinc/05/94/50/281059450.db2.gz MJISKQKULWWQIF-ZWKOTPCHSA-N 2 1 289.467 2.439 20 0 CEADMP Cc1ccc(C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C(C)C)cc1 ZINC000423518763 281061664 /nfs/dbraw/zinc/06/16/64/281061664.db2.gz OZCGRUICMHXNTO-ZWKOTPCHSA-N 2 1 289.467 2.055 20 0 CEADMP Cc1ccc(C[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C(C)C)cc1 ZINC000423518761 281061737 /nfs/dbraw/zinc/06/17/37/281061737.db2.gz OZCGRUICMHXNTO-ROUUACIJSA-N 2 1 289.467 2.055 20 0 CEADMP C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424161334 281126121 /nfs/dbraw/zinc/12/61/21/281126121.db2.gz VRIMSAXBASVTLH-HZPDHXFCSA-N 2 1 295.471 2.275 20 0 CEADMP CCCCc1noc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)n1 ZINC000424300530 281144043 /nfs/dbraw/zinc/14/40/43/281144043.db2.gz WPDWHOXIBYBJIQ-ZDUSSCGKSA-N 2 1 292.427 2.376 20 0 CEADMP COC1(C[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CCC1 ZINC000429534513 281240653 /nfs/dbraw/zinc/24/06/53/281240653.db2.gz FGNLHMRJOUUOBF-HOTGVXAUSA-N 2 1 298.471 2.161 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC000430115934 281262644 /nfs/dbraw/zinc/26/26/44/281262644.db2.gz CHCNBVZOPHKFHW-OAGGEKHMSA-N 2 1 266.429 2.219 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CCO1 ZINC000430115934 281262646 /nfs/dbraw/zinc/26/26/46/281262646.db2.gz CHCNBVZOPHKFHW-OAGGEKHMSA-N 2 1 266.429 2.219 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC000430115934 281262647 /nfs/dbraw/zinc/26/26/47/281262647.db2.gz CHCNBVZOPHKFHW-OAGGEKHMSA-N 2 1 266.429 2.219 20 0 CEADMP CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000185650992 281267123 /nfs/dbraw/zinc/26/71/23/281267123.db2.gz OBNQEXLCVXGASG-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCCOc2ccccc2C)C1 ZINC000430925284 281280772 /nfs/dbraw/zinc/28/07/72/281280772.db2.gz CWBOQEWVWUVYBJ-OAHLLOKOSA-N 2 1 262.397 2.305 20 0 CEADMP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC000290231347 281300298 /nfs/dbraw/zinc/30/02/98/281300298.db2.gz RSVKNFRFYNZYTE-CWRNSKLLSA-N 2 1 274.408 2.371 20 0 CEADMP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC000290231347 281300299 /nfs/dbraw/zinc/30/02/99/281300299.db2.gz RSVKNFRFYNZYTE-CWRNSKLLSA-N 2 1 274.408 2.371 20 0 CEADMP CC(C)[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000432859798 281350616 /nfs/dbraw/zinc/35/06/16/281350616.db2.gz PIHADUUDSZKBIJ-IJEWVQPXSA-N 2 1 268.445 2.246 20 0 CEADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H](C[NH3+])C2)cc1F ZINC000435390997 281387831 /nfs/dbraw/zinc/38/78/31/281387831.db2.gz RDNXPMWTKIKGAM-GXTWGEPZSA-N 2 1 280.387 2.294 20 0 CEADMP C[N@H+](Cc1cccc2c1OCCCO2)[C@H]1CCC[NH2+]CC1 ZINC000435431078 281389569 /nfs/dbraw/zinc/38/95/69/281389569.db2.gz BRCFFYUFLHNCGK-HNNXBMFYSA-N 2 1 290.407 2.422 20 0 CEADMP C[N@@H+](Cc1cccc2c1OCCCO2)[C@H]1CCC[NH2+]CC1 ZINC000435431078 281389571 /nfs/dbraw/zinc/38/95/71/281389571.db2.gz BRCFFYUFLHNCGK-HNNXBMFYSA-N 2 1 290.407 2.422 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000435868402 281398839 /nfs/dbraw/zinc/39/88/39/281398839.db2.gz FGMANKPVBBKFEM-OAHLLOKOSA-N 2 1 262.397 2.312 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccnn1C ZINC000447599725 281844779 /nfs/dbraw/zinc/84/47/79/281844779.db2.gz YJXHENZNOZQHJA-ZDUSSCGKSA-N 2 1 264.417 2.193 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3cccnc3o2)C1 ZINC000449033168 282076756 /nfs/dbraw/zinc/07/67/56/282076756.db2.gz CKSUSQZLBHKESN-LBPRGKRZSA-N 2 1 259.353 2.211 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3cccnc3o2)C1 ZINC000449033168 282076759 /nfs/dbraw/zinc/07/67/59/282076759.db2.gz CKSUSQZLBHKESN-LBPRGKRZSA-N 2 1 259.353 2.211 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@@H]2CCCCC[C@H]2N)CC1 ZINC000335030938 289065840 /nfs/dbraw/zinc/06/58/40/289065840.db2.gz VCDOBURPEISVAN-NEXFUWMNSA-N 2 1 253.434 2.109 20 0 CEADMP COCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000337386526 292717865 /nfs/dbraw/zinc/71/78/65/292717865.db2.gz ICOXNQBVHMFDSY-CZUORRHYSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CCO)CC(C)C)[C@H](C)C1 ZINC000154628622 289151345 /nfs/dbraw/zinc/15/13/45/289151345.db2.gz CRNQCAJLAHONJA-PMPSAXMXSA-N 2 1 270.461 2.351 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158182787 289229553 /nfs/dbraw/zinc/22/95/53/289229553.db2.gz ANHLYXZKOJGGMC-SJORKVTESA-N 2 1 276.424 2.176 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305655981 289272682 /nfs/dbraw/zinc/27/26/82/289272682.db2.gz WELBPURZHFNKTH-ZFWWWQNUSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305655981 289272688 /nfs/dbraw/zinc/27/26/88/289272688.db2.gz WELBPURZHFNKTH-ZFWWWQNUSA-N 2 1 265.401 2.065 20 0 CEADMP CCCOc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000313389007 289282758 /nfs/dbraw/zinc/28/27/58/289282758.db2.gz MBYDMUXDJXCCMA-MRXNPFEDSA-N 2 1 278.396 2.025 20 0 CEADMP CCCOc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000313389007 289282759 /nfs/dbraw/zinc/28/27/59/289282759.db2.gz MBYDMUXDJXCCMA-MRXNPFEDSA-N 2 1 278.396 2.025 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000401726663 289288418 /nfs/dbraw/zinc/28/84/18/289288418.db2.gz MABKYVUHHCWPAS-HNNXBMFYSA-N 2 1 259.328 2.379 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C2CC(OC(C)C)C2)C1 ZINC000459353056 290124608 /nfs/dbraw/zinc/12/46/08/290124608.db2.gz YWMPRSFTVNNMOI-WLYUNCDWSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C2CC(OC(C)C)C2)C1 ZINC000459353056 290124609 /nfs/dbraw/zinc/12/46/09/290124609.db2.gz YWMPRSFTVNNMOI-WLYUNCDWSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C2CC(OC(C)C)C2)C1 ZINC000459353056 290124611 /nfs/dbraw/zinc/12/46/11/290124611.db2.gz YWMPRSFTVNNMOI-WLYUNCDWSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@H](COCC(F)(F)F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459400825 290137769 /nfs/dbraw/zinc/13/77/69/290137769.db2.gz WWBYZQORGFGUDK-SNVBAGLBSA-N 2 1 280.334 2.170 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000459407024 290139218 /nfs/dbraw/zinc/13/92/18/290139218.db2.gz DLRZOBQGXOYZJY-MRXNPFEDSA-N 2 1 265.445 2.077 20 0 CEADMP CO[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000459428189 290146034 /nfs/dbraw/zinc/14/60/34/290146034.db2.gz PEXPQCGCMPPQKZ-CQSZACIVSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](O)Cc1ccccc1 ZINC000459445342 290150821 /nfs/dbraw/zinc/15/08/21/290150821.db2.gz GVHGVPXHZNZGGP-KDOFPFPSSA-N 2 1 288.435 2.195 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC1CC[NH+](C2CC2)CC1 ZINC000459464164 290156890 /nfs/dbraw/zinc/15/68/90/290156890.db2.gz IDFJBIMZILYYPM-GJZGRUSLSA-N 2 1 279.472 2.323 20 0 CEADMP COCC[C@H](Cc1ccco1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459485792 290161951 /nfs/dbraw/zinc/16/19/51/290161951.db2.gz QUQMHAHSPOICJT-OAHLLOKOSA-N 2 1 292.423 2.444 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC3(CCC3)C2)CCCO1 ZINC000459503605 290166257 /nfs/dbraw/zinc/16/62/57/290166257.db2.gz HXTQVMMKGYBDRM-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC3(CCC3)C2)CCCO1 ZINC000459503605 290166258 /nfs/dbraw/zinc/16/62/58/290166258.db2.gz HXTQVMMKGYBDRM-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)[C@H]2CCC[C@H]21 ZINC000375863743 290217286 /nfs/dbraw/zinc/21/72/86/290217286.db2.gz XYJCOOSLWJNCPV-HZSPNIEDSA-N 2 1 282.428 2.181 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCC[C@@H]2O)[C@@H]2CCC[C@H]21 ZINC000353519577 290221064 /nfs/dbraw/zinc/22/10/64/290221064.db2.gz MTXBYYMOACLHRN-KSWRQPAISA-N 2 1 280.456 2.390 20 0 CEADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000459754865 290228401 /nfs/dbraw/zinc/22/84/01/290228401.db2.gz FFEZDSCNVNDCQP-CXAGYDPISA-N 2 1 294.414 2.144 20 0 CEADMP CCCCNC(=O)C[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000482133640 290313557 /nfs/dbraw/zinc/31/35/57/290313557.db2.gz DFQKHJFCRVOEQC-CVEARBPZSA-N 2 1 297.487 2.393 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCSCCOC)[C@@H](C)C1 ZINC000488109674 290378921 /nfs/dbraw/zinc/37/89/21/290378921.db2.gz BUBJDBZKGNBWKP-GJZGRUSLSA-N 2 1 288.501 2.418 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCSCCOC)[C@@H](C)C1 ZINC000488109674 290378923 /nfs/dbraw/zinc/37/89/23/290378923.db2.gz BUBJDBZKGNBWKP-GJZGRUSLSA-N 2 1 288.501 2.418 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCSCCOC)[C@@H](C)C1 ZINC000488109674 290378924 /nfs/dbraw/zinc/37/89/24/290378924.db2.gz BUBJDBZKGNBWKP-GJZGRUSLSA-N 2 1 288.501 2.418 20 0 CEADMP CO[C@@]1(C)C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C1(C)C ZINC000178976854 294158664 /nfs/dbraw/zinc/15/86/64/294158664.db2.gz DCGNTYCKRJBEGY-ZFWWWQNUSA-N 2 1 254.418 2.121 20 0 CEADMP COc1ccccc1C[N@H+](CCC[NH3+])C[C@@H]1CCCO1 ZINC000414695268 295360477 /nfs/dbraw/zinc/36/04/77/295360477.db2.gz FDDQAXDSOMICCM-HNNXBMFYSA-N 2 1 278.396 2.025 20 0 CEADMP COc1ccccc1C[N@@H+](CCC[NH3+])C[C@@H]1CCCO1 ZINC000414695268 295360478 /nfs/dbraw/zinc/36/04/78/295360478.db2.gz FDDQAXDSOMICCM-HNNXBMFYSA-N 2 1 278.396 2.025 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000530218473 298053667 /nfs/dbraw/zinc/05/36/67/298053667.db2.gz MQFXQKKYVRRIPX-SVGFKBNWSA-N 2 1 292.398 2.052 20 0 CEADMP Cc1ccc(CCC[NH2+][C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000530242686 298058474 /nfs/dbraw/zinc/05/84/74/298058474.db2.gz CNUUEHYYQGSJHK-OAHLLOKOSA-N 2 1 259.397 2.197 20 0 CEADMP CC[C@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000532228671 298136736 /nfs/dbraw/zinc/13/67/36/298136736.db2.gz JRFGCNIQEGVDOK-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000532469312 298145014 /nfs/dbraw/zinc/14/50/14/298145014.db2.gz VATMPLFDJSXQJD-ZFWWWQNUSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H](C(=O)NCC[NH+](C)C1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246423696 298153802 /nfs/dbraw/zinc/15/38/02/298153802.db2.gz MIFMZHWMABAOTL-QLFBSQMISA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H](C(=O)NCC[N@H+](C)C1CCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000246423696 298153803 /nfs/dbraw/zinc/15/38/03/298153803.db2.gz MIFMZHWMABAOTL-QLFBSQMISA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H](C(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000246423696 298153804 /nfs/dbraw/zinc/15/38/04/298153804.db2.gz MIFMZHWMABAOTL-QLFBSQMISA-N 2 1 295.471 2.238 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4[nH]cnc4c3)CC[C@H]21 ZINC000538796792 298238660 /nfs/dbraw/zinc/23/86/60/298238660.db2.gz UXAWDHSZKDYXSU-WMLDXEAASA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4[nH]cnc4c3)CC[C@H]21 ZINC000538796792 298238662 /nfs/dbraw/zinc/23/86/62/298238662.db2.gz UXAWDHSZKDYXSU-WMLDXEAASA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4[nH]cnc4c3)CC[C@H]21 ZINC000538796792 298238665 /nfs/dbraw/zinc/23/86/65/298238665.db2.gz UXAWDHSZKDYXSU-WMLDXEAASA-N 2 1 284.407 2.479 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4nc[nH]c4c3)CC[C@H]21 ZINC000538796792 298238669 /nfs/dbraw/zinc/23/86/69/298238669.db2.gz UXAWDHSZKDYXSU-WMLDXEAASA-N 2 1 284.407 2.479 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4nc[nH]c4c3)CC[C@H]21 ZINC000538796792 298238673 /nfs/dbraw/zinc/23/86/73/298238673.db2.gz UXAWDHSZKDYXSU-WMLDXEAASA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4nc[nH]c4c3)CC[C@H]21 ZINC000538796792 298238675 /nfs/dbraw/zinc/23/86/75/298238675.db2.gz UXAWDHSZKDYXSU-WMLDXEAASA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4nc[nH]c4c3)CC[C@H]21 ZINC000538796792 298238678 /nfs/dbraw/zinc/23/86/78/298238678.db2.gz UXAWDHSZKDYXSU-WMLDXEAASA-N 2 1 284.407 2.479 20 0 CEADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415044904 298287026 /nfs/dbraw/zinc/28/70/26/298287026.db2.gz CCQVSRUQSXUMNB-GDBMZVCRSA-N 2 1 295.471 2.275 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000566562142 299003159 /nfs/dbraw/zinc/00/31/59/299003159.db2.gz ISPDFZPIRCOUGB-SNVBAGLBSA-N 2 1 273.302 2.271 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000566562142 299003160 /nfs/dbraw/zinc/00/31/60/299003160.db2.gz ISPDFZPIRCOUGB-SNVBAGLBSA-N 2 1 273.302 2.271 20 0 CEADMP [NH3+]CCCC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000566677403 299013796 /nfs/dbraw/zinc/01/37/96/299013796.db2.gz XBBIGXQLZXITMD-UHFFFAOYSA-N 2 1 296.440 2.197 20 0 CEADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527804195 313204499 /nfs/dbraw/zinc/20/44/99/313204499.db2.gz NNTPVSFHAMBHTK-ZAQNNHEOSA-N 2 1 252.402 2.015 20 0 CEADMP CC(C)n1ccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)n1 ZINC000530179879 313280723 /nfs/dbraw/zinc/28/07/23/313280723.db2.gz YMEGSEOVLUECKU-DZGCQCFKSA-N 2 1 276.428 2.269 20 0 CEADMP c1cc2c(cccc2N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)[nH]1 ZINC000530230915 313286251 /nfs/dbraw/zinc/28/62/51/313286251.db2.gz DNXSXTYPUILYLP-HNNXBMFYSA-N 2 1 298.434 2.290 20 0 CEADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cscn1 ZINC000534329179 313381238 /nfs/dbraw/zinc/38/12/38/313381238.db2.gz JLHGDCSBWDYHID-CYBMUJFWSA-N 2 1 296.484 2.067 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000564822740 313777382 /nfs/dbraw/zinc/77/73/82/313777382.db2.gz WJEKLJYFGXOZJE-LBPRGKRZSA-N 2 1 266.385 2.354 20 0 CEADMP Cn1ccnc1[C@@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000570461180 314042477 /nfs/dbraw/zinc/04/24/77/314042477.db2.gz NFPGYRWUGSGXKK-OLZOCXBDSA-N 2 1 263.385 2.167 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)CN(C)CC ZINC000570460757 314042858 /nfs/dbraw/zinc/04/28/58/314042858.db2.gz CXTZOOLQLKKTFC-SJORKVTESA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)CN(C)CC ZINC000570460757 314042860 /nfs/dbraw/zinc/04/28/60/314042860.db2.gz CXTZOOLQLKKTFC-SJORKVTESA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000570460757 314042862 /nfs/dbraw/zinc/04/28/62/314042862.db2.gz CXTZOOLQLKKTFC-SJORKVTESA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000570460757 314042865 /nfs/dbraw/zinc/04/28/65/314042865.db2.gz CXTZOOLQLKKTFC-SJORKVTESA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000570460757 314042867 /nfs/dbraw/zinc/04/28/67/314042867.db2.gz CXTZOOLQLKKTFC-SJORKVTESA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000570460757 314042870 /nfs/dbraw/zinc/04/28/70/314042870.db2.gz CXTZOOLQLKKTFC-SJORKVTESA-N 2 1 276.424 2.136 20 0 CEADMP CCCc1nc(C)c(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)o1 ZINC000572234348 314125525 /nfs/dbraw/zinc/12/55/25/314125525.db2.gz VECYSEXCKPRVTH-AAEUAGOBSA-N 2 1 265.401 2.413 20 0 CEADMP C[C@H](O)C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000573426342 314156700 /nfs/dbraw/zinc/15/67/00/314156700.db2.gz PTLJDXYTPJCNRA-CABCVRRESA-N 2 1 276.424 2.389 20 0 CEADMP C[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574202643 314196289 /nfs/dbraw/zinc/19/62/89/314196289.db2.gz OFEZDIMTXZAXDE-ZBFHGGJFSA-N 2 1 274.408 2.154 20 0 CEADMP C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574202643 314196292 /nfs/dbraw/zinc/19/62/92/314196292.db2.gz OFEZDIMTXZAXDE-ZBFHGGJFSA-N 2 1 274.408 2.154 20 0 CEADMP C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574202640 314196617 /nfs/dbraw/zinc/19/66/17/314196617.db2.gz OFEZDIMTXZAXDE-GDBMZVCRSA-N 2 1 274.408 2.154 20 0 CEADMP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574202640 314196619 /nfs/dbraw/zinc/19/66/19/314196619.db2.gz OFEZDIMTXZAXDE-GDBMZVCRSA-N 2 1 274.408 2.154 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000576049613 314236520 /nfs/dbraw/zinc/23/65/20/314236520.db2.gz GAHALROVCGXYLL-HOTGVXAUSA-N 2 1 282.403 2.425 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000576049613 314236522 /nfs/dbraw/zinc/23/65/22/314236522.db2.gz GAHALROVCGXYLL-HOTGVXAUSA-N 2 1 282.403 2.425 20 0 CEADMP Cc1cnc(CC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000576103511 314241427 /nfs/dbraw/zinc/24/14/27/314241427.db2.gz AEMPEXIFZYDWHM-HNNXBMFYSA-N 2 1 261.413 2.124 20 0 CEADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000576118382 314243814 /nfs/dbraw/zinc/24/38/14/314243814.db2.gz ILKWJKHUQOWHDK-KFWWJZLASA-N 2 1 256.434 2.248 20 0 CEADMP COCC[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCC[C@H]1C ZINC000576594173 314292461 /nfs/dbraw/zinc/29/24/61/314292461.db2.gz MEBZEOJUKAGRPM-ZBFHGGJFSA-N 2 1 279.428 2.490 20 0 CEADMP COCC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCC[C@H]1C ZINC000576594173 314292462 /nfs/dbraw/zinc/29/24/62/314292462.db2.gz MEBZEOJUKAGRPM-ZBFHGGJFSA-N 2 1 279.428 2.490 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](Cc2ccccc2)C1 ZINC000576716454 314304364 /nfs/dbraw/zinc/30/43/64/314304364.db2.gz YLMHSCGSARAQFZ-QZTJIDSGSA-N 2 1 290.451 2.254 20 0 CEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000580328748 322311633 /nfs/dbraw/zinc/31/16/33/322311633.db2.gz DAURTUHODOVNGL-MRXNPFEDSA-N 2 1 290.411 2.095 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)CC[NH2+]1 ZINC000580701948 322336676 /nfs/dbraw/zinc/33/66/76/322336676.db2.gz RNTMTOXOLDPNGV-JHJVBQTASA-N 2 1 294.361 2.418 20 0 CEADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000580773856 322342547 /nfs/dbraw/zinc/34/25/47/322342547.db2.gz JAAHXUMYMMTJOG-CVEARBPZSA-N 2 1 279.472 2.182 20 0 CEADMP C[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CC(C)C1 ZINC000581080656 322368419 /nfs/dbraw/zinc/36/84/19/322368419.db2.gz TVECCUSXTISLTC-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]cc(CNc2ccc(C[NH+](C)C)cc2)n1C ZINC000584242633 327125897 /nfs/dbraw/zinc/12/58/97/327125897.db2.gz AWTOEQBCPMIXDY-UHFFFAOYSA-N 2 1 258.369 2.402 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](O)CC2)[C@H](C)C1 ZINC000560910422 327351872 /nfs/dbraw/zinc/35/18/72/327351872.db2.gz RXCBXJHRZWRNEO-VQHPVUNQSA-N 2 1 298.471 2.017 20 0 CEADMP CC(C)OCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157344971 519762526 /nfs/dbraw/zinc/76/25/26/519762526.db2.gz QNYLBWYMPJGRPL-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000163867808 521173604 /nfs/dbraw/zinc/17/36/04/521173604.db2.gz GEWNFZWMIGGUQK-LSDHHAIUSA-N 2 1 292.423 2.381 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2C)[C@@H](C)C1 ZINC000358003116 521707630 /nfs/dbraw/zinc/70/76/30/521707630.db2.gz IJLJLDGYUCBLMY-VGWMRTNUSA-N 2 1 268.445 2.369 20 0 CEADMP CO[C@@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000363686189 523410215 /nfs/dbraw/zinc/41/02/15/523410215.db2.gz DFYDWCMJCBQSJS-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP COc1ccc(C)cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049553908 523812529 /nfs/dbraw/zinc/81/25/29/523812529.db2.gz WMQHLXJCWDQLEF-ZDUSSCGKSA-N 2 1 250.386 2.433 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000049553218 524167812 /nfs/dbraw/zinc/16/78/12/524167812.db2.gz CZAHHKFWSBGQEO-OLZOCXBDSA-N 2 1 278.396 2.449 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000070169519 527191772 /nfs/dbraw/zinc/19/17/72/527191772.db2.gz VXZFUZBMRSVQIW-ZDUSSCGKSA-N 2 1 260.381 2.182 20 0 CEADMP CC(C)CCNC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116396697 527739272 /nfs/dbraw/zinc/73/92/72/527739272.db2.gz WCTVRDMZCYTMCS-LSDHHAIUSA-N 2 1 299.503 2.493 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2cncs2)C[C@@H]1C ZINC000411302580 527832375 /nfs/dbraw/zinc/83/23/75/527832375.db2.gz GADMAYMOJLCNBL-STQMWFEESA-N 2 1 267.442 2.490 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cncs2)C[C@@H]1C ZINC000411302580 527832377 /nfs/dbraw/zinc/83/23/77/527832377.db2.gz GADMAYMOJLCNBL-STQMWFEESA-N 2 1 267.442 2.490 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cncs2)C[C@@H]1C ZINC000411302580 527832380 /nfs/dbraw/zinc/83/23/80/527832380.db2.gz GADMAYMOJLCNBL-STQMWFEESA-N 2 1 267.442 2.490 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cncs2)C[C@@H]1C ZINC000411302580 527832383 /nfs/dbraw/zinc/83/23/83/527832383.db2.gz GADMAYMOJLCNBL-STQMWFEESA-N 2 1 267.442 2.490 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)Nc1cc[nH+]cc1C(=O)OCC ZINC000357817387 527982863 /nfs/dbraw/zinc/98/28/63/527982863.db2.gz ZGJLIZQKMPEESZ-CYBMUJFWSA-N 2 1 293.411 2.213 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)Nc1cc[nH+]cc1C(=O)OCC ZINC000357817387 527982868 /nfs/dbraw/zinc/98/28/68/527982868.db2.gz ZGJLIZQKMPEESZ-CYBMUJFWSA-N 2 1 293.411 2.213 20 0 CEADMP C[C@H](O)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000309756816 538740825 /nfs/dbraw/zinc/74/08/25/538740825.db2.gz XRRCVSKBQCHHST-DOTOQJQBSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@H](O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309756816 538740832 /nfs/dbraw/zinc/74/08/32/538740832.db2.gz XRRCVSKBQCHHST-DOTOQJQBSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@H](O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309756816 538740840 /nfs/dbraw/zinc/74/08/40/538740840.db2.gz XRRCVSKBQCHHST-DOTOQJQBSA-N 2 1 276.424 2.211 20 0 CEADMP CCC(CC)[N@@H+](C[C@@H](O)CN1CCCC1)C1CC1 ZINC000729542682 574489449 /nfs/dbraw/zinc/48/94/49/574489449.db2.gz MXLFBIHFENYJNO-HNNXBMFYSA-N 2 1 254.418 2.096 20 0 CEADMP CCC(CC)[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729542682 574489450 /nfs/dbraw/zinc/48/94/50/574489450.db2.gz MXLFBIHFENYJNO-HNNXBMFYSA-N 2 1 254.418 2.096 20 0 CEADMP CCC(CC)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729542682 574489451 /nfs/dbraw/zinc/48/94/51/574489451.db2.gz MXLFBIHFENYJNO-HNNXBMFYSA-N 2 1 254.418 2.096 20 0 CEADMP C[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000741249279 574524893 /nfs/dbraw/zinc/52/48/93/574524893.db2.gz FRPUCMNFBQLTAO-MLGOLLRUSA-N 2 1 298.377 2.272 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000741249279 574524895 /nfs/dbraw/zinc/52/48/95/574524895.db2.gz FRPUCMNFBQLTAO-MLGOLLRUSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@@H](O)c1ccc(F)c(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000741249279 574524898 /nfs/dbraw/zinc/52/48/98/574524898.db2.gz FRPUCMNFBQLTAO-MLGOLLRUSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@@H](O)c1ccc(F)c(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741249279 574524900 /nfs/dbraw/zinc/52/49/00/574524900.db2.gz FRPUCMNFBQLTAO-MLGOLLRUSA-N 2 1 298.377 2.272 20 0 CEADMP CCC/C(C)=C/C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732779583 574629601 /nfs/dbraw/zinc/62/96/01/574629601.db2.gz XSIJCNNDEMVMDZ-OKFGHLOFSA-N 2 1 293.455 2.018 20 0 CEADMP CCC/C(C)=C/C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732779583 574629604 /nfs/dbraw/zinc/62/96/04/574629604.db2.gz XSIJCNNDEMVMDZ-OKFGHLOFSA-N 2 1 293.455 2.018 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000734552790 574719774 /nfs/dbraw/zinc/71/97/74/574719774.db2.gz QKAZOJFZBQOSAN-MRXNPFEDSA-N 2 1 297.487 2.299 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000734552790 574719777 /nfs/dbraw/zinc/71/97/77/574719777.db2.gz QKAZOJFZBQOSAN-MRXNPFEDSA-N 2 1 297.487 2.299 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000734552790 574719779 /nfs/dbraw/zinc/71/97/79/574719779.db2.gz QKAZOJFZBQOSAN-MRXNPFEDSA-N 2 1 297.487 2.299 20 0 CEADMP Cn1cc[nH+]c1N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000745972756 575146771 /nfs/dbraw/zinc/14/67/71/575146771.db2.gz CGYHOXNAVZGJMH-UHFFFAOYSA-N 2 1 293.374 2.295 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000749446047 575220074 /nfs/dbraw/zinc/22/00/74/575220074.db2.gz KYSVLTGYDRMTSG-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC000960033370 613950086 /nfs/dbraw/zinc/95/00/86/613950086.db2.gz MWYSSOZFZZQRJT-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)CC[N@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000981342987 614030097 /nfs/dbraw/zinc/03/00/97/614030097.db2.gz OXFOJDMVVXKYAA-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC[NH+]1CCCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000981342987 614030099 /nfs/dbraw/zinc/03/00/99/614030099.db2.gz OXFOJDMVVXKYAA-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC[NH+]1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000981342987 614030100 /nfs/dbraw/zinc/03/01/00/614030100.db2.gz OXFOJDMVVXKYAA-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980483390 614073051 /nfs/dbraw/zinc/07/30/51/614073051.db2.gz OOXHSXGNWBCMSD-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC)CC1 ZINC000948424451 614677048 /nfs/dbraw/zinc/67/70/48/614677048.db2.gz IRNZSLXGNPHVLT-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC)CC1 ZINC000948424451 614677049 /nfs/dbraw/zinc/67/70/49/614677049.db2.gz IRNZSLXGNPHVLT-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC)CC1 ZINC000948424451 614677050 /nfs/dbraw/zinc/67/70/50/614677050.db2.gz IRNZSLXGNPHVLT-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[NH2+]C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001024023879 625297240 /nfs/dbraw/zinc/29/72/40/625297240.db2.gz PZSOHDHNPFUGML-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CC[NH+](CCCCC[N@H+]2CCO[C@@H](C)CC2)CCO1 ZINC000932339897 622628444 /nfs/dbraw/zinc/62/84/44/622628444.db2.gz DVECYXLUDOOZLC-IRXDYDNUSA-N 2 1 298.471 2.378 20 0 CEADMP CCC[C@@H](C)[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926643351 625607985 /nfs/dbraw/zinc/60/79/85/625607985.db2.gz GIFMSTFWAQVYGQ-AKBNIOSXSA-N 2 1 298.471 2.015 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2cn3ccnc3s2)CC1 ZINC000892479657 625610632 /nfs/dbraw/zinc/61/06/32/625610632.db2.gz KDMYVFLAFBYAKT-UHFFFAOYSA-N 2 1 278.425 2.358 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090519192 623306789 /nfs/dbraw/zinc/30/67/89/623306789.db2.gz SNXJAOQPYCVEQW-GVDBMIGSSA-N 2 1 274.408 2.245 20 0 CEADMP c1ccc2ncc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2c1 ZINC000261710422 623430592 /nfs/dbraw/zinc/43/05/92/623430592.db2.gz JJJBXJXVDRROTO-QGZVFWFLSA-N 2 1 267.376 2.420 20 0 CEADMP c1ccc2ncc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2c1 ZINC000261710422 623430596 /nfs/dbraw/zinc/43/05/96/623430596.db2.gz JJJBXJXVDRROTO-QGZVFWFLSA-N 2 1 267.376 2.420 20 0 CEADMP C[C@]1(Br)C[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000892492678 625659996 /nfs/dbraw/zinc/65/99/96/625659996.db2.gz SKJFXBLFNNEVOE-GWCFXTLKSA-N 2 1 287.245 2.376 20 0 CEADMP Cc1cc(N)nc(NCCC[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000891592788 623813084 /nfs/dbraw/zinc/81/30/84/623813084.db2.gz QZBTXXCRTGIBOW-UHFFFAOYSA-N 2 1 285.395 2.301 20 0 CEADMP Nc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c[nH+]1 ZINC000891782536 623966191 /nfs/dbraw/zinc/96/61/91/623966191.db2.gz TYWRVNYDZWTLNS-SECBINFHSA-N 2 1 266.776 2.213 20 0 CEADMP C[N@H+]1C[C@@H]2CN(C[C@H]3CCC4(CCCC4)O3)C[C@]2(C)C1 ZINC000933732538 623982356 /nfs/dbraw/zinc/98/23/56/623982356.db2.gz RCURQZPEYAVTMF-OAGGEKHMSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCC4(CCCC4)O3)C[C@]2(C)C1 ZINC000933732538 623982365 /nfs/dbraw/zinc/98/23/65/623982365.db2.gz RCURQZPEYAVTMF-OAGGEKHMSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCC4(CCCC4)O3)C[C@]2(C)C1 ZINC000933732538 623982368 /nfs/dbraw/zinc/98/23/68/623982368.db2.gz RCURQZPEYAVTMF-OAGGEKHMSA-N 2 1 278.440 2.362 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cc[nH+]cc2CO)C1 ZINC000891852614 624025622 /nfs/dbraw/zinc/02/56/22/624025622.db2.gz OOHXCXCDNRZIEJ-GASCZTMLSA-N 2 1 291.439 2.166 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@@]1(C)Br)CC1CC[NH+](C)CC1 ZINC000891933760 624115098 /nfs/dbraw/zinc/11/50/98/624115098.db2.gz MZDWHSRMTMFAIT-QWHCGFSZSA-N 2 1 289.261 2.434 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2nccc3c2CCCC3)C1 ZINC000892033245 624264047 /nfs/dbraw/zinc/26/40/47/624264047.db2.gz DEYHXWMXCNLYJP-CQSZACIVSA-N 2 1 273.424 2.344 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC000892033245 624264048 /nfs/dbraw/zinc/26/40/48/624264048.db2.gz DEYHXWMXCNLYJP-CQSZACIVSA-N 2 1 273.424 2.344 20 0 CEADMP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001022588077 624281781 /nfs/dbraw/zinc/28/17/81/624281781.db2.gz CKTPRLHPDKRHFA-IJEWVQPXSA-N 2 1 293.455 2.040 20 0 CEADMP CC(C)[N@H+](CC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000892122457 624335563 /nfs/dbraw/zinc/33/55/63/624335563.db2.gz VTVGSPDNHGJQRN-UHFFFAOYSA-N 2 1 284.444 2.380 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@]2(C)Br)C1 ZINC000892142017 624350259 /nfs/dbraw/zinc/35/02/59/624350259.db2.gz BVJTULCJCOSACA-AVGNSLFASA-N 2 1 289.261 2.434 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@]2(C)Br)C1 ZINC000892142017 624350260 /nfs/dbraw/zinc/35/02/60/624350260.db2.gz BVJTULCJCOSACA-AVGNSLFASA-N 2 1 289.261 2.434 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@]2(C)Br)C1 ZINC000892142017 624350261 /nfs/dbraw/zinc/35/02/61/624350261.db2.gz BVJTULCJCOSACA-AVGNSLFASA-N 2 1 289.261 2.434 20 0 CEADMP COc1cc2c(cc1OC)C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC2 ZINC000091544335 624770438 /nfs/dbraw/zinc/77/04/38/624770438.db2.gz MWALOQRWDKCQEP-DOMZBBRYSA-N 2 1 290.407 2.189 20 0 CEADMP CNc1ccc(C)cc1C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000902103158 634464250 /nfs/dbraw/zinc/46/42/50/634464250.db2.gz UAFYKGAEPNXXHG-UHFFFAOYSA-N 2 1 291.439 2.237 20 0 CEADMP COc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)on1 ZINC000820811719 634536647 /nfs/dbraw/zinc/53/66/47/634536647.db2.gz VAMUVGYFRKUHRX-NSHDSACASA-N 2 1 278.356 2.319 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccnnc1 ZINC000924576948 627293210 /nfs/dbraw/zinc/29/32/10/627293210.db2.gz FNPFYEILYVSRPQ-CQSZACIVSA-N 2 1 262.401 2.249 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001007457505 627371384 /nfs/dbraw/zinc/37/13/84/627371384.db2.gz OWQGMGPWVMFIKB-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001007457505 627371386 /nfs/dbraw/zinc/37/13/86/627371386.db2.gz OWQGMGPWVMFIKB-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001007457505 627371389 /nfs/dbraw/zinc/37/13/89/627371389.db2.gz OWQGMGPWVMFIKB-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@@]2(C)Br)C1 ZINC000892668616 627376229 /nfs/dbraw/zinc/37/62/29/627376229.db2.gz OUPUWZSJLUVRHR-FRRDWIJNSA-N 2 1 289.261 2.481 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902320773 634569228 /nfs/dbraw/zinc/56/92/28/634569228.db2.gz QXEFTMRPEHALJP-GJZGRUSLSA-N 2 1 269.477 2.331 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(N)[nH+]cc2Cl)C1 ZINC000892722177 627725645 /nfs/dbraw/zinc/72/56/45/627725645.db2.gz SUPDMPSOZFPNKV-NSHDSACASA-N 2 1 282.819 2.485 20 0 CEADMP CCc1nnc(C[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000893028587 627953841 /nfs/dbraw/zinc/95/38/41/627953841.db2.gz GZCATOKOEHRDSA-UHFFFAOYSA-N 2 1 279.413 2.175 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn2ccnc2s1 ZINC000893028342 627954057 /nfs/dbraw/zinc/95/40/57/627954057.db2.gz FCJGLUFPYUBPTD-UHFFFAOYSA-N 2 1 289.408 2.471 20 0 CEADMP OC[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)Cc1ccccc1 ZINC000925502759 627993751 /nfs/dbraw/zinc/99/37/51/627993751.db2.gz LXBFCNXHOXNIAI-DLBZAZTESA-N 2 1 288.435 2.102 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925503365 627995607 /nfs/dbraw/zinc/99/56/07/627995607.db2.gz NBDJZDPPZKNMKY-KFWWJZLASA-N 2 1 267.461 2.227 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cnc1F ZINC000893093993 627996686 /nfs/dbraw/zinc/99/66/86/627996686.db2.gz CIBWESPGJDBEKK-KBPBESRZSA-N 2 1 265.376 2.492 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384511 634628016 /nfs/dbraw/zinc/62/80/16/634628016.db2.gz LRPWEPGZFSKOBX-CABCVRRESA-N 2 1 269.477 2.475 20 0 CEADMP CCc1nc(C)c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000902388395 634630204 /nfs/dbraw/zinc/63/02/04/634630204.db2.gz PCLWWLAKRWYMKM-LBPRGKRZSA-N 2 1 265.401 2.413 20 0 CEADMP C(N[C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000925536850 628147141 /nfs/dbraw/zinc/14/71/41/628147141.db2.gz HPIIXCQWEASJME-JLSDUUJJSA-N 2 1 291.483 2.229 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000925536850 628147144 /nfs/dbraw/zinc/14/71/44/628147144.db2.gz HPIIXCQWEASJME-JLSDUUJJSA-N 3 1 291.483 2.229 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000925536850 628147147 /nfs/dbraw/zinc/14/71/47/628147147.db2.gz HPIIXCQWEASJME-JLSDUUJJSA-N 3 1 291.483 2.229 20 0 CEADMP CCNC(=[NH2+])NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309637423 628183911 /nfs/dbraw/zinc/18/39/11/628183911.db2.gz AGZSGOKUAKNYGX-INIZCTEOSA-N 2 1 274.412 2.032 20 0 CEADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCO1 ZINC000893255998 628191601 /nfs/dbraw/zinc/19/16/01/628191601.db2.gz PBIKFJDFTBGVKB-ARQSVGKCSA-N 2 1 252.402 2.159 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000902392035 634631806 /nfs/dbraw/zinc/63/18/06/634631806.db2.gz JFTDMWBDZNAQHF-CQSZACIVSA-N 3 1 279.403 2.152 20 0 CEADMP C(C1CC1)[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925559639 628228153 /nfs/dbraw/zinc/22/81/53/628228153.db2.gz ZDYWSYVGPQXSGY-SQNIBIBYSA-N 2 1 291.483 2.229 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000902415322 634641534 /nfs/dbraw/zinc/64/15/34/634641534.db2.gz DNWCTWKLJSRXFB-LLVKDONJSA-N 2 1 288.395 2.112 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925576672 628253605 /nfs/dbraw/zinc/25/36/05/628253605.db2.gz YHGDYZWMDPDMKH-SOUVJXGZSA-N 2 1 267.461 2.356 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925576672 628253609 /nfs/dbraw/zinc/25/36/09/628253609.db2.gz YHGDYZWMDPDMKH-SOUVJXGZSA-N 2 1 267.461 2.356 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCON)cc1 ZINC000902416701 634642453 /nfs/dbraw/zinc/64/24/53/634642453.db2.gz CWMCDIZKSVXJAN-GFCCVEGCSA-N 2 1 274.368 2.112 20 0 CEADMP CCc1onc(C)c1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902402139 634638045 /nfs/dbraw/zinc/63/80/45/634638045.db2.gz BPUJYJFDJKQETK-GFCCVEGCSA-N 2 1 265.401 2.413 20 0 CEADMP CSc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)ccn1 ZINC000925617505 628305102 /nfs/dbraw/zinc/30/51/02/628305102.db2.gz WJGXCCUBGCYFHF-NWDGAFQWSA-N 2 1 263.410 2.163 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+]CCCC(C)(C)CO)c1ccccc1 ZINC000925624114 628317171 /nfs/dbraw/zinc/31/71/71/628317171.db2.gz VGHPGVSFVRFZBT-ZFWWWQNUSA-N 2 1 264.413 2.463 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@](C)(O)c1ccccc1 ZINC000925642330 628340361 /nfs/dbraw/zinc/34/03/61/628340361.db2.gz FWPKCGTXBWPIJY-CWRNSKLLSA-N 2 1 262.397 2.014 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cnn(CC3CCC3)c2)C12CCC2 ZINC000902428841 634650127 /nfs/dbraw/zinc/65/01/27/634650127.db2.gz BDHNWFJSFZOHHV-CABCVRRESA-N 2 1 274.412 2.043 20 0 CEADMP C[C@](O)(CC[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925647046 628348896 /nfs/dbraw/zinc/34/88/96/628348896.db2.gz XFHVPFQHMXMIQZ-CVEARBPZSA-N 2 1 274.408 2.158 20 0 CEADMP COCC1(C[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])CCOCC1 ZINC000925676206 628463232 /nfs/dbraw/zinc/46/32/32/628463232.db2.gz YRERJVNPIAKEOI-ZBFHGGJFSA-N 2 1 292.423 2.108 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)C12CCC2 ZINC000925681363 628478009 /nfs/dbraw/zinc/47/80/09/628478009.db2.gz XLXLRZQYGSSWAG-QWRGUYRKSA-N 2 1 285.313 2.460 20 0 CEADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925684321 628489294 /nfs/dbraw/zinc/48/92/94/628489294.db2.gz GWXQBAQYQNKCQE-XHDPSFHLSA-N 2 1 280.387 2.495 20 0 CEADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000925684319 628489300 /nfs/dbraw/zinc/48/93/00/628489300.db2.gz GWXQBAQYQNKCQE-NHYWBVRUSA-N 2 1 280.387 2.495 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925685990 628492105 /nfs/dbraw/zinc/49/21/05/628492105.db2.gz PBDBLNWMZVVDHM-FZKCQIBNSA-N 3 1 279.472 2.085 20 0 CEADMP CN(CC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000931306557 628511189 /nfs/dbraw/zinc/51/11/89/628511189.db2.gz AWSPZXAUOGEFLK-QZTJIDSGSA-N 2 1 287.451 2.396 20 0 CEADMP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccccc1 ZINC000925709625 628555582 /nfs/dbraw/zinc/55/55/82/628555582.db2.gz ONNRKMZJXIVWTR-GJZGRUSLSA-N 3 1 297.393 2.301 20 0 CEADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925712422 628563464 /nfs/dbraw/zinc/56/34/64/628563464.db2.gz URQQZPQUIHSGEH-IGQOVBAYSA-N 2 1 288.382 2.026 20 0 CEADMP C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902475362 634666495 /nfs/dbraw/zinc/66/64/95/634666495.db2.gz JSVZFTLQJUXZSE-BHNDVYRESA-N 2 1 299.462 2.380 20 0 CEADMP C(N[C@H]1CC[NH2+]C12CCCC2)C1CC[NH+](CC2CC2)CC1 ZINC000925718815 628582376 /nfs/dbraw/zinc/58/23/76/628582376.db2.gz YUIIZTNXWOUCTE-KRWDZBQOSA-N 2 1 291.483 2.373 20 0 CEADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cnn(CCF)c1 ZINC000902447633 634670328 /nfs/dbraw/zinc/67/03/28/634670328.db2.gz UMQYQCYBUZJKHR-ZFWWWQNUSA-N 2 1 282.407 2.253 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000893501184 628657593 /nfs/dbraw/zinc/65/75/93/628657593.db2.gz MQRRKNKXALPVMK-QGZVFWFLSA-N 2 1 273.424 2.288 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC[C@@H]21 ZINC000931547882 628690620 /nfs/dbraw/zinc/69/06/20/628690620.db2.gz UWCPGVIXBGXMPH-RGDJUOJXSA-N 2 1 270.367 2.304 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC[C@@H]21 ZINC000931547882 628690622 /nfs/dbraw/zinc/69/06/22/628690622.db2.gz UWCPGVIXBGXMPH-RGDJUOJXSA-N 2 1 270.367 2.304 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC[C@@H]21 ZINC000931547882 628690624 /nfs/dbraw/zinc/69/06/24/628690624.db2.gz UWCPGVIXBGXMPH-RGDJUOJXSA-N 2 1 270.367 2.304 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC[C@@H]21 ZINC000931547882 628690625 /nfs/dbraw/zinc/69/06/25/628690625.db2.gz UWCPGVIXBGXMPH-RGDJUOJXSA-N 2 1 270.367 2.304 20 0 CEADMP CC(C)CCC[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000398966745 628767532 /nfs/dbraw/zinc/76/75/32/628767532.db2.gz RPGLCLILMFIIFH-CQSZACIVSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925781415 628807613 /nfs/dbraw/zinc/80/76/13/628807613.db2.gz AAIYJIMDARJNEG-JRPNMDOOSA-N 2 1 268.351 2.483 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000094371273 628814738 /nfs/dbraw/zinc/81/47/38/628814738.db2.gz UTFLTBDWKIFIKE-JKSUJKDBSA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CCC1 ZINC000925791705 628837545 /nfs/dbraw/zinc/83/75/45/628837545.db2.gz NRGKCBBWSOJSKP-LSDHHAIUSA-N 2 1 266.429 2.313 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925804284 628853659 /nfs/dbraw/zinc/85/36/59/628853659.db2.gz GEOOSYYRZBCGQP-MRXNPFEDSA-N 2 1 284.407 2.145 20 0 CEADMP N[C@H]1C[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)C12CCC2 ZINC000925810381 628861708 /nfs/dbraw/zinc/86/17/08/628861708.db2.gz ZYUMWTNAAYXUBA-HOTGVXAUSA-N 2 1 279.472 2.406 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccnn1C1CCC1 ZINC000925814774 628870396 /nfs/dbraw/zinc/87/03/96/628870396.db2.gz PSIWJFSIZIVDAI-QWHCGFSZSA-N 2 1 285.395 2.470 20 0 CEADMP Cc1cc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)nn1C ZINC000925831122 628925084 /nfs/dbraw/zinc/92/50/84/628925084.db2.gz CFNBRYQQZNVQBH-WMZOPIPTSA-N 2 1 298.434 2.354 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000925835744 628933291 /nfs/dbraw/zinc/93/32/91/628933291.db2.gz UCSBQTVCMFSVDI-YNEHKIRRSA-N 2 1 293.377 2.133 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000261590566 628942727 /nfs/dbraw/zinc/94/27/27/628942727.db2.gz LJFBBMNENUYMGO-CMPLNLGQSA-N 2 1 270.323 2.376 20 0 CEADMP CC(C)[C@H]([NH2+]CCCCC[NH+]1CCNCC1)C1CC1 ZINC000925845905 628948539 /nfs/dbraw/zinc/94/85/39/628948539.db2.gz SJSQYDNPEIQSME-INIZCTEOSA-N 2 1 267.461 2.086 20 0 CEADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925848085 628952026 /nfs/dbraw/zinc/95/20/26/628952026.db2.gz ZVTCGBDJQOLLBT-CVEARBPZSA-N 2 1 281.488 2.476 20 0 CEADMP Cn1ncc(Cl)c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261640500 628956544 /nfs/dbraw/zinc/95/65/44/628956544.db2.gz AGLWKMVXLRTBKS-ZDUSSCGKSA-N 2 1 282.819 2.038 20 0 CEADMP C[C@H]([NH2+]CCc1cccc2c1OCCO2)[C@H]1CCCC[NH2+]1 ZINC000925874029 628973560 /nfs/dbraw/zinc/97/35/60/628973560.db2.gz GSCUJUHHVXAIOO-DZGCQCFKSA-N 2 1 290.407 2.121 20 0 CEADMP CC[C@H]([NH2+]CCNc1ccc(C)cn1)[C@H]1CCCC[NH2+]1 ZINC000925877063 628976136 /nfs/dbraw/zinc/97/61/36/628976136.db2.gz DUXVPTAUULHMHJ-LSDHHAIUSA-N 2 1 276.428 2.312 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CC[N@@H+]1C ZINC000925889195 628984917 /nfs/dbraw/zinc/98/49/17/628984917.db2.gz ZWJNPKRPHMUNOV-XOYOTBSWSA-N 3 1 287.451 2.118 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CC[N@H+]1C ZINC000925889195 628984918 /nfs/dbraw/zinc/98/49/18/628984918.db2.gz ZWJNPKRPHMUNOV-XOYOTBSWSA-N 3 1 287.451 2.118 20 0 CEADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902483233 634700471 /nfs/dbraw/zinc/70/04/71/634700471.db2.gz PPRPFQJVRLPPAT-HUUCEWRRSA-N 2 1 264.417 2.030 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CC[C@H](OC)C2)C1 ZINC000821381347 634703563 /nfs/dbraw/zinc/70/35/63/634703563.db2.gz XBLHLDQVVJZGLE-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](OC)C2)C1 ZINC000821381347 634703566 /nfs/dbraw/zinc/70/35/66/634703566.db2.gz XBLHLDQVVJZGLE-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CC[C@H](OC)C2)C1 ZINC000821381347 634703570 /nfs/dbraw/zinc/70/35/70/634703570.db2.gz XBLHLDQVVJZGLE-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](C2CC2)C(C)(C)C)CC1 ZINC000924967523 629307103 /nfs/dbraw/zinc/30/71/03/629307103.db2.gz XXWDHBKKVFENFW-INIZCTEOSA-N 2 1 281.488 2.428 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)CCO1 ZINC000261995803 629417067 /nfs/dbraw/zinc/41/70/67/629417067.db2.gz KSNPDCUUKKLHJP-HUUCEWRRSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC3(C2)CO[C@@H](C)C3)C1 ZINC000894455861 629472477 /nfs/dbraw/zinc/47/24/77/629472477.db2.gz MGQQWLBUOJDNPH-QRNKSROTSA-N 2 1 266.429 2.264 20 0 CEADMP CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)o1 ZINC000894496339 629497580 /nfs/dbraw/zinc/49/75/80/629497580.db2.gz OYVOPJBBZBMWAN-JSGCOSHPSA-N 2 1 266.385 2.450 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)nc1 ZINC000894496792 629498667 /nfs/dbraw/zinc/49/86/67/629498667.db2.gz QRYFLPYXTDKOHS-CJNGLKHVSA-N 2 1 275.396 2.006 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)nc1 ZINC000894496792 629498672 /nfs/dbraw/zinc/49/86/72/629498672.db2.gz QRYFLPYXTDKOHS-CJNGLKHVSA-N 2 1 275.396 2.006 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)nc1 ZINC000894496792 629498674 /nfs/dbraw/zinc/49/86/74/629498674.db2.gz QRYFLPYXTDKOHS-CJNGLKHVSA-N 2 1 275.396 2.006 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)nc1 ZINC000894496792 629498678 /nfs/dbraw/zinc/49/86/78/629498678.db2.gz QRYFLPYXTDKOHS-CJNGLKHVSA-N 2 1 275.396 2.006 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)CC1 ZINC000894561807 629532996 /nfs/dbraw/zinc/53/29/96/629532996.db2.gz YWEURQYLHZRRCZ-CQSZACIVSA-N 2 1 282.819 2.125 20 0 CEADMP CCn1cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)n1 ZINC000894622641 629562574 /nfs/dbraw/zinc/56/25/74/629562574.db2.gz KAESQYXTUBTDGQ-MRXNPFEDSA-N 2 1 276.428 2.129 20 0 CEADMP COc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)o1 ZINC000894624902 629564074 /nfs/dbraw/zinc/56/40/74/629564074.db2.gz XGPBUEMDFMBRBF-OAHLLOKOSA-N 2 1 264.369 2.206 20 0 CEADMP CC(C)Cc1ccc(C[NH2+]CCc2c[nH+]cn2C)cn1 ZINC000902621409 634748735 /nfs/dbraw/zinc/74/87/35/634748735.db2.gz HXYQFZUQUNNCRF-UHFFFAOYSA-N 2 1 272.396 2.346 20 0 CEADMP C([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCC2(CC1)OCCO2 ZINC000795900971 629706017 /nfs/dbraw/zinc/70/60/17/629706017.db2.gz ZPXDRARLAVXDDP-CVEARBPZSA-N 2 1 294.439 2.136 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCC2(CC1)OCCO2 ZINC000795900971 629706027 /nfs/dbraw/zinc/70/60/27/629706027.db2.gz ZPXDRARLAVXDDP-CVEARBPZSA-N 2 1 294.439 2.136 20 0 CEADMP CC[N@H+](CC[NH2+]CC1CCC2(CC1)OCCO2)C(C)C ZINC000795909744 629708163 /nfs/dbraw/zinc/70/81/63/629708163.db2.gz BVGSBSZNVTZUIT-UHFFFAOYSA-N 2 1 284.444 2.240 20 0 CEADMP CC[N@@H+](CC[NH2+]CC1CCC2(CC1)OCCO2)C(C)C ZINC000795909744 629708168 /nfs/dbraw/zinc/70/81/68/629708168.db2.gz BVGSBSZNVTZUIT-UHFFFAOYSA-N 2 1 284.444 2.240 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCO2)CC[N@@H+]1Cc1ccccc1 ZINC000894876240 629710061 /nfs/dbraw/zinc/71/00/61/629710061.db2.gz PHJKILCQIOUICN-DJIMGWMZSA-N 2 1 290.407 2.002 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCO2)CC[N@H+]1Cc1ccccc1 ZINC000894876240 629710069 /nfs/dbraw/zinc/71/00/69/629710069.db2.gz PHJKILCQIOUICN-DJIMGWMZSA-N 2 1 290.407 2.002 20 0 CEADMP C[NH+]1CCC(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)CC1 ZINC000894899916 629741347 /nfs/dbraw/zinc/74/13/47/629741347.db2.gz CLJOWRQUEZYITM-IAGOWNOFSA-N 2 1 274.408 2.136 20 0 CEADMP CC[C@](C)(C(=O)OC)[N@@H+](CC1CC1)CC1CC[NH+](C)CC1 ZINC000895010480 629793631 /nfs/dbraw/zinc/79/36/31/629793631.db2.gz XNOKWZBBDXMZGX-QGZVFWFLSA-N 2 1 296.455 2.382 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CSC[C@@H]1C ZINC000796400845 629887436 /nfs/dbraw/zinc/88/74/36/629887436.db2.gz ZKYGTJKVJWLKDP-MDZLAQPJSA-N 2 1 253.415 2.169 20 0 CEADMP Cc1ncc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000796840037 630032721 /nfs/dbraw/zinc/03/27/21/630032721.db2.gz VHJNUDQPWAGQCX-KFWWJZLASA-N 2 1 279.453 2.456 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2F)[C@H]2CCC[C@H]21 ZINC000796979147 630090285 /nfs/dbraw/zinc/09/02/85/630090285.db2.gz CDUCUAJKCKZWPJ-HZSPNIEDSA-N 2 1 263.360 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2F)[C@H]2CCC[C@H]21 ZINC000796979147 630090298 /nfs/dbraw/zinc/09/02/98/630090298.db2.gz CDUCUAJKCKZWPJ-HZSPNIEDSA-N 2 1 263.360 2.183 20 0 CEADMP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000797061053 630122919 /nfs/dbraw/zinc/12/29/19/630122919.db2.gz NDRKNBCGMOPCKW-YALNPMBYSA-N 2 1 276.424 2.489 20 0 CEADMP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000797061053 630122935 /nfs/dbraw/zinc/12/29/35/630122935.db2.gz NDRKNBCGMOPCKW-YALNPMBYSA-N 2 1 276.424 2.489 20 0 CEADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1CC[C@H]1CCOC1 ZINC000895379803 630151030 /nfs/dbraw/zinc/15/10/30/630151030.db2.gz VZDSIRLUVXHRGO-PMPSAXMXSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1CC[C@@H]1CCOC1 ZINC000895379795 630151069 /nfs/dbraw/zinc/15/10/69/630151069.db2.gz VZDSIRLUVXHRGO-OAGGEKHMSA-N 2 1 268.445 2.465 20 0 CEADMP Cc1cnn(C)c1C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895379568 630151319 /nfs/dbraw/zinc/15/13/19/630151319.db2.gz MGIFAQKWVWIION-LSDHHAIUSA-N 2 1 278.444 2.281 20 0 CEADMP Cc1cnn(C)c1C[N@@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895379568 630151322 /nfs/dbraw/zinc/15/13/22/630151322.db2.gz MGIFAQKWVWIION-LSDHHAIUSA-N 2 1 278.444 2.281 20 0 CEADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000895382806 630153635 /nfs/dbraw/zinc/15/36/35/630153635.db2.gz CNXLQSXGTUFKBQ-MRXNPFEDSA-N 3 1 279.472 2.325 20 0 CEADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000895382806 630153637 /nfs/dbraw/zinc/15/36/37/630153637.db2.gz CNXLQSXGTUFKBQ-MRXNPFEDSA-N 3 1 279.472 2.325 20 0 CEADMP C[C@@H](O)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000895472673 630210130 /nfs/dbraw/zinc/21/01/30/630210130.db2.gz JIEFPSDNYCRSJL-DNUGQZQRSA-N 2 1 274.408 2.323 20 0 CEADMP C[C@@H](O)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000895472673 630210135 /nfs/dbraw/zinc/21/01/35/630210135.db2.gz JIEFPSDNYCRSJL-DNUGQZQRSA-N 2 1 274.408 2.323 20 0 CEADMP c1cc(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c(C2CC2)c[nH+]1 ZINC000895563896 630251481 /nfs/dbraw/zinc/25/14/81/630251481.db2.gz FLMBEDQMBDDWBJ-HZPDHXFCSA-N 2 1 289.448 2.373 20 0 CEADMP Cn1ncc(CNC[C@@H]2CCCC[N@@H+](C)C2)c1C1CC1 ZINC000895587346 630262153 /nfs/dbraw/zinc/26/21/53/630262153.db2.gz PSQJCDWOZCPKQC-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1C1CC1 ZINC000895587346 630262156 /nfs/dbraw/zinc/26/21/56/630262156.db2.gz PSQJCDWOZCPKQC-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1C1CC1 ZINC000895587346 630262158 /nfs/dbraw/zinc/26/21/58/630262158.db2.gz PSQJCDWOZCPKQC-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP COC(OC)[C@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000895787208 630344565 /nfs/dbraw/zinc/34/45/65/630344565.db2.gz HIYASARVVAJCGX-ZDUSSCGKSA-N 2 1 272.433 2.094 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000895813954 630358446 /nfs/dbraw/zinc/35/84/46/630358446.db2.gz NPSJRNLKGXIKBP-HUUCEWRRSA-N 2 1 297.487 2.486 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902759665 634813767 /nfs/dbraw/zinc/81/37/67/634813767.db2.gz BUXNYOFYDWANTF-NQLMQOPMSA-N 2 1 278.440 2.121 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H](CCO)Cc1ccccc1 ZINC000799348973 631017443 /nfs/dbraw/zinc/01/74/43/631017443.db2.gz AKEVPSRTHMOWIY-QGZVFWFLSA-N 2 1 299.418 2.231 20 0 CEADMP CC(C)C[C@H]1COCC[N@@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904320462 635567487 /nfs/dbraw/zinc/56/74/87/635567487.db2.gz ICMSTSKQYWEOCM-LSDHHAIUSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)C[C@H]1COCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904320462 635567493 /nfs/dbraw/zinc/56/74/93/635567493.db2.gz ICMSTSKQYWEOCM-LSDHHAIUSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@@]2(C)CCC[NH2+]C2)C[C@H]1C ZINC000904341490 635578914 /nfs/dbraw/zinc/57/89/14/635578914.db2.gz SCFYOIYWRJTEIQ-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000985647954 631166112 /nfs/dbraw/zinc/16/61/12/631166112.db2.gz SGHILQYISRXJOT-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000985647954 631166113 /nfs/dbraw/zinc/16/61/13/631166113.db2.gz SGHILQYISRXJOT-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC[NH+]1CCC(NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000925198607 631170373 /nfs/dbraw/zinc/17/03/73/631170373.db2.gz VVMLVIIFGZGMMK-MRXNPFEDSA-N 2 1 281.488 2.428 20 0 CEADMP CCC[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000985801973 631183920 /nfs/dbraw/zinc/18/39/20/631183920.db2.gz LHHFGGKVFQDMSF-GASCZTMLSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000985801973 631183922 /nfs/dbraw/zinc/18/39/22/631183922.db2.gz LHHFGGKVFQDMSF-GASCZTMLSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000985801973 631183923 /nfs/dbraw/zinc/18/39/23/631183923.db2.gz LHHFGGKVFQDMSF-GASCZTMLSA-N 2 1 295.471 2.192 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421026 635632571 /nfs/dbraw/zinc/63/25/71/635632571.db2.gz LOGGQHLEOGMVJI-JKSUJKDBSA-N 2 1 296.418 2.222 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421026 635632574 /nfs/dbraw/zinc/63/25/74/635632574.db2.gz LOGGQHLEOGMVJI-JKSUJKDBSA-N 2 1 296.418 2.222 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ncc[nH]1 ZINC000067691303 631667955 /nfs/dbraw/zinc/66/79/55/631667955.db2.gz STEXPGOLSZQUMV-ZDUSSCGKSA-N 2 1 250.390 2.154 20 0 CEADMP [NH3+]CCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000841009418 631670522 /nfs/dbraw/zinc/67/05/22/631670522.db2.gz OENGOIPPQYNFND-LSDHHAIUSA-N 2 1 266.360 2.062 20 0 CEADMP CCc1nc(N2CCC[C@@H](C[NH+](C)C)C2)cc(C)[nH+]1 ZINC000804400305 631678207 /nfs/dbraw/zinc/67/82/07/631678207.db2.gz QVZTXEQYBYHPKM-ZDUSSCGKSA-N 2 1 262.401 2.125 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000897806435 631924103 /nfs/dbraw/zinc/92/41/03/631924103.db2.gz UNGMURWTENZBIL-ZIAGYGMSSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897806435 631924105 /nfs/dbraw/zinc/92/41/05/631924105.db2.gz UNGMURWTENZBIL-ZIAGYGMSSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897806435 631924110 /nfs/dbraw/zinc/92/41/10/631924110.db2.gz UNGMURWTENZBIL-ZIAGYGMSSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc([C@H](C)O)s2)C1 ZINC000809616781 632111896 /nfs/dbraw/zinc/11/18/96/632111896.db2.gz YZQHQOZTLUDZCL-STQMWFEESA-N 2 1 297.468 2.406 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc([C@H](C)O)s2)C1 ZINC000809616781 632111898 /nfs/dbraw/zinc/11/18/98/632111898.db2.gz YZQHQOZTLUDZCL-STQMWFEESA-N 2 1 297.468 2.406 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000898298511 632157078 /nfs/dbraw/zinc/15/70/78/632157078.db2.gz NUCNWPKLBIMYPS-INIZCTEOSA-N 2 1 296.374 2.280 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCC1 ZINC000322850194 632244994 /nfs/dbraw/zinc/24/49/94/632244994.db2.gz PFTLYMXDUCEEBH-KFWWJZLASA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCC1 ZINC000322850194 632244997 /nfs/dbraw/zinc/24/49/97/632244997.db2.gz PFTLYMXDUCEEBH-KFWWJZLASA-N 2 1 252.402 2.018 20 0 CEADMP O=C(O[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC[NH+](C2CC2)CC1 ZINC000810838376 632284480 /nfs/dbraw/zinc/28/44/80/632284480.db2.gz PBOLUCDBDXPDHS-HOTGVXAUSA-N 2 1 292.423 2.031 20 0 CEADMP CC(C)n1ncc2cc(C[NH2+]C[C@H](C)C[NH3+])c(Cl)nc21 ZINC000841049441 632352816 /nfs/dbraw/zinc/35/28/16/632352816.db2.gz RAFNWQATELQOCF-SNVBAGLBSA-N 2 1 295.818 2.350 20 0 CEADMP CC[C@@H](C[NH2+]C1CC2(C1)CO[C@@H](C)C2)[NH+]1CCCC1 ZINC000924640700 632379980 /nfs/dbraw/zinc/37/99/80/632379980.db2.gz YLEXITOQBOZTPO-UIDBIOKJSA-N 2 1 266.429 2.408 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H]1CCCC12CCC2)C[NH+](C)C ZINC000926960010 632386703 /nfs/dbraw/zinc/38/67/03/632386703.db2.gz LOXUNYIEGWBLKT-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000924653092 632395475 /nfs/dbraw/zinc/39/54/75/632395475.db2.gz GVOCUDFORBWCAR-AWEZNQCLSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@H](CN[C@H]1CCC[N@H+]2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000924715817 632457930 /nfs/dbraw/zinc/45/79/30/632457930.db2.gz MZWHIBQNMXIEQK-IXDOHACOSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCN2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000924715817 632457936 /nfs/dbraw/zinc/45/79/36/632457936.db2.gz MZWHIBQNMXIEQK-IXDOHACOSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H](NC(=[NH2+])NC[C@@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000899264089 632762338 /nfs/dbraw/zinc/76/23/38/632762338.db2.gz YVVDXSHGCGZNQG-XJKSGUPXSA-N 2 1 288.439 2.072 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+]2C[C@@H](O)c2ccccc2F)CC1 ZINC000899911459 633096059 /nfs/dbraw/zinc/09/60/59/633096059.db2.gz USFAJCFMTABNBB-OAHLLOKOSA-N 2 1 278.371 2.029 20 0 CEADMP C[NH+]1CCC2(CC[N@H+]2C[C@@H](O)c2ccccc2F)CC1 ZINC000899911459 633096063 /nfs/dbraw/zinc/09/60/63/633096063.db2.gz USFAJCFMTABNBB-OAHLLOKOSA-N 2 1 278.371 2.029 20 0 CEADMP CC(C)[N@H+](C)Cc1nc(-c2ccc(C[NH3+])cc2F)no1 ZINC000817866047 633748118 /nfs/dbraw/zinc/74/81/18/633748118.db2.gz UMHOMNHSSWWPIV-UHFFFAOYSA-N 2 1 278.331 2.175 20 0 CEADMP CC(C)[N@@H+](C)Cc1nc(-c2ccc(C[NH3+])cc2F)no1 ZINC000817866047 633748127 /nfs/dbraw/zinc/74/81/27/633748127.db2.gz UMHOMNHSSWWPIV-UHFFFAOYSA-N 2 1 278.331 2.175 20 0 CEADMP CC[C@H](NCc1ccc(-n2cc[nH+]c2C)nc1)[C@@H]1CCC[NH2+]1 ZINC000817888887 633751984 /nfs/dbraw/zinc/75/19/84/633751984.db2.gz KODFQTAZARIYBV-HOTGVXAUSA-N 2 1 299.422 2.196 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccsc1 ZINC000817896324 633757764 /nfs/dbraw/zinc/75/77/64/633757764.db2.gz GCUDVXNBJGHXNB-RCBQFDQVSA-N 2 1 290.432 2.330 20 0 CEADMP CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000817900335 633760408 /nfs/dbraw/zinc/76/04/08/633760408.db2.gz OEAZMMREMUBKCB-GARJFASQSA-N 2 1 251.399 2.429 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900895 633761961 /nfs/dbraw/zinc/76/19/61/633761961.db2.gz QOVGLUSQKKGFPH-OTBWCIGPSA-N 3 1 279.472 2.371 20 0 CEADMP C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817924066 633780242 /nfs/dbraw/zinc/78/02/42/633780242.db2.gz LVGLAYOXFPLFJB-VNQPRFMTSA-N 2 1 262.397 2.014 20 0 CEADMP C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817924054 633780268 /nfs/dbraw/zinc/78/02/68/633780268.db2.gz LVGLAYOXFPLFJB-BPUTZDHNSA-N 2 1 262.397 2.014 20 0 CEADMP C[C@]1(CN[C@@H]2CCC[C@H]2[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000817927574 633782794 /nfs/dbraw/zinc/78/27/94/633782794.db2.gz HZMCQNOXWBOGRC-KZNAEPCWSA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2COc3ccccc3[C@@H]2O)c2ccccc21 ZINC000817932166 633785693 /nfs/dbraw/zinc/78/56/93/633785693.db2.gz RRZIXNNRKNYTJU-HPFXQQBRSA-N 2 1 296.370 2.215 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(Br)ncc1F ZINC000817962228 633804291 /nfs/dbraw/zinc/80/42/91/633804291.db2.gz JPIVNGSJNJMWIW-JGVFFNPUSA-N 2 1 290.180 2.229 20 0 CEADMP COCc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1OC ZINC000817977747 633821636 /nfs/dbraw/zinc/82/16/36/633821636.db2.gz OAOYTQBJKRMMST-UTUOFQBUSA-N 2 1 266.385 2.228 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000818968298 634022055 /nfs/dbraw/zinc/02/20/55/634022055.db2.gz QEWUMPIXGGPHLM-OAHLLOKOSA-N 2 1 295.333 2.183 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000818984315 634029300 /nfs/dbraw/zinc/02/93/00/634029300.db2.gz DOHPSQZAXWVXMF-DOTOQJQBSA-N 2 1 276.424 2.430 20 0 CEADMP CC(=O)OCc1cccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000903059417 634949909 /nfs/dbraw/zinc/94/99/09/634949909.db2.gz NOXZCHBQERFWAZ-ZDUSSCGKSA-N 2 1 290.407 2.495 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(=O)NC(C)(C)C ZINC000903084513 634962006 /nfs/dbraw/zinc/96/20/06/634962006.db2.gz ZFHUJCBHODQOSU-YPRXJGMQSA-N 2 1 293.455 2.037 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(=O)NC(C)(C)C ZINC000903084513 634962007 /nfs/dbraw/zinc/96/20/07/634962007.db2.gz ZFHUJCBHODQOSU-YPRXJGMQSA-N 2 1 293.455 2.037 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[NH+](C)C1CC1 ZINC000903090912 634964163 /nfs/dbraw/zinc/96/41/63/634964163.db2.gz JDRNHVFQWWIDJH-KZWSWKJNSA-N 2 1 277.456 2.217 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[N@H+](C)C1CC1 ZINC000903090912 634964166 /nfs/dbraw/zinc/96/41/66/634964166.db2.gz JDRNHVFQWWIDJH-KZWSWKJNSA-N 2 1 277.456 2.217 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[N@@H+](C)C1CC1 ZINC000903090912 634964169 /nfs/dbraw/zinc/96/41/69/634964169.db2.gz JDRNHVFQWWIDJH-KZWSWKJNSA-N 2 1 277.456 2.217 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCO[C@@]23CCOC3)C1 ZINC000903068312 634965130 /nfs/dbraw/zinc/96/51/30/634965130.db2.gz BNWUKJUELXVZRC-IXDOHACOSA-N 2 1 296.455 2.036 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903074216 634967867 /nfs/dbraw/zinc/96/78/67/634967867.db2.gz SRNXTKTUPBDBIF-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP O[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903109076 634973430 /nfs/dbraw/zinc/97/34/30/634973430.db2.gz CYELNRNFSCFQDM-GGJQXISOSA-N 2 1 298.430 2.392 20 0 CEADMP O[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903109076 634973434 /nfs/dbraw/zinc/97/34/34/634973434.db2.gz CYELNRNFSCFQDM-GGJQXISOSA-N 2 1 298.430 2.392 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cn[nH]c1 ZINC000903128764 634983904 /nfs/dbraw/zinc/98/39/04/634983904.db2.gz AVMPNUUUSKGQNO-UFBLJUAHSA-N 2 1 260.385 2.218 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cn[nH]c1 ZINC000903128764 634983907 /nfs/dbraw/zinc/98/39/07/634983907.db2.gz AVMPNUUUSKGQNO-UFBLJUAHSA-N 2 1 260.385 2.218 20 0 CEADMP OC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903165658 634995980 /nfs/dbraw/zinc/99/59/80/634995980.db2.gz NDEXULBARAUMOV-LQDVMPOASA-N 2 1 264.413 2.039 20 0 CEADMP COCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903173972 634997945 /nfs/dbraw/zinc/99/79/45/634997945.db2.gz AXVAFDQISHTYIL-LQDVMPOASA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903185114 635002293 /nfs/dbraw/zinc/00/22/93/635002293.db2.gz HNZQBVOXCCDOIE-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP COCC[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903186122 635012048 /nfs/dbraw/zinc/01/20/48/635012048.db2.gz NPGTYXJXZSNVST-WYQXTGKHSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)[C@@H]2CCC[C@H]21 ZINC000903250875 635028870 /nfs/dbraw/zinc/02/88/70/635028870.db2.gz DSWYPKFBKPMPDE-SMLCLMEVSA-N 2 1 278.440 2.406 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)CCc2ccccc2)CC1(C)C ZINC000903288648 635052396 /nfs/dbraw/zinc/05/23/96/635052396.db2.gz NBJJBQULZLGHTA-IRXDYDNUSA-N 2 1 290.451 2.443 20 0 CEADMP Cc1cc(CO)cc(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000903306727 635058224 /nfs/dbraw/zinc/05/82/24/635058224.db2.gz AXOPYCPJBLAKDQ-HOCLYGCPSA-N 2 1 276.424 2.368 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]23C[C@H]2COC32CCC2)[C@H]2CCC[C@H]21 ZINC000903364198 635085769 /nfs/dbraw/zinc/08/57/69/635085769.db2.gz VUCKEJXVNCSFTI-DMRKSPOLSA-N 2 1 290.451 2.408 20 0 CEADMP CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903425911 635112338 /nfs/dbraw/zinc/11/23/38/635112338.db2.gz ABIKXHRTHQQERC-OCCSQVGLSA-N 2 1 276.380 2.093 20 0 CEADMP COCC[N@@H+](CCc1ccccc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903431141 635115018 /nfs/dbraw/zinc/11/50/18/635115018.db2.gz OWHVXAHITHMDJV-WBVHZDCISA-N 2 1 276.424 2.033 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)C1 ZINC000903439757 635118677 /nfs/dbraw/zinc/11/86/77/635118677.db2.gz NVYAOYDJEKANSM-RFQIPJPRSA-N 2 1 254.443 2.474 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000903457649 635124378 /nfs/dbraw/zinc/12/43/78/635124378.db2.gz YKIMLHVPSMEVHZ-HIFRSBDPSA-N 2 1 261.413 2.040 20 0 CEADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903464715 635125851 /nfs/dbraw/zinc/12/58/51/635125851.db2.gz XHXNBTUPXWHXBV-HLLBOEOZSA-N 2 1 273.424 2.325 20 0 CEADMP COC[C@@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)C(C)C ZINC000903454613 635137766 /nfs/dbraw/zinc/13/77/66/635137766.db2.gz FIRNIUHZPBGUKZ-HUUCEWRRSA-N 2 1 256.434 2.402 20 0 CEADMP C[C@@H](c1ncccn1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000903454032 635138407 /nfs/dbraw/zinc/13/84/07/635138407.db2.gz RVQDHQHSYPXWOC-JSGCOSHPSA-N 2 1 260.385 2.002 20 0 CEADMP c1nc2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903456411 635139221 /nfs/dbraw/zinc/13/92/21/635139221.db2.gz HOMCZQBGNJAPDG-HUUCEWRRSA-N 2 1 284.407 2.253 20 0 CEADMP c1nc2ccccc2n1C[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903456411 635139224 /nfs/dbraw/zinc/13/92/24/635139224.db2.gz HOMCZQBGNJAPDG-HUUCEWRRSA-N 2 1 284.407 2.253 20 0 CEADMP CC1(C)CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)O1 ZINC000903472670 635142416 /nfs/dbraw/zinc/14/24/16/635142416.db2.gz UNFZBHSQLNQJAE-CHWSQXEVSA-N 2 1 252.402 2.208 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CCC2(CCCC2)O1 ZINC000903472654 635143061 /nfs/dbraw/zinc/14/30/61/635143061.db2.gz UGMGPFSCAXRCCB-KGLIPLIRSA-N 2 1 264.413 2.352 20 0 CEADMP Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000903481682 635148139 /nfs/dbraw/zinc/14/81/39/635148139.db2.gz JPVNXSZUERHAGJ-GFFIAVPVSA-N 2 1 288.439 2.258 20 0 CEADMP c1cc(CC[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)sn1 ZINC000903482213 635149615 /nfs/dbraw/zinc/14/96/15/635149615.db2.gz ZJSXKSRUQQUNHJ-CQSZACIVSA-N 2 1 265.426 2.151 20 0 CEADMP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CC[NH2+]C13CCCC3)O2 ZINC000903483698 635150694 /nfs/dbraw/zinc/15/06/94/635150694.db2.gz KJEXJUKLRSXGEM-GDBMZVCRSA-N 2 1 272.392 2.254 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)C1 ZINC000903491195 635157303 /nfs/dbraw/zinc/15/73/03/635157303.db2.gz YXBJHJYBVGMZOU-SVGFKBNWSA-N 2 1 256.393 2.387 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]1COC(C)(C)C ZINC000903563960 635163612 /nfs/dbraw/zinc/16/36/12/635163612.db2.gz MSMNRIVWQIHYOS-HZSPNIEDSA-N 2 1 254.418 2.121 20 0 CEADMP Cn1ccc([C@@H]2CCC[N@@H+](CCCCCC[NH3+])C2)n1 ZINC000903564200 635164306 /nfs/dbraw/zinc/16/43/06/635164306.db2.gz QEQCURJMAYPREB-CQSZACIVSA-N 2 1 264.417 2.119 20 0 CEADMP CCc1ccc(C[N@@H+](C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903717467 635231961 /nfs/dbraw/zinc/23/19/61/635231961.db2.gz ATRDEZQBWWQQOB-ROUUACIJSA-N 2 1 288.435 2.449 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCCCCC1 ZINC000903718907 635233881 /nfs/dbraw/zinc/23/38/81/635233881.db2.gz TUHGUTCFCDXXQE-HZPDHXFCSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718348 635233964 /nfs/dbraw/zinc/23/39/64/635233964.db2.gz KZBHLGXMMPPWIG-PVAVHDDUSA-N 2 1 274.408 2.448 20 0 CEADMP C[N@H+](Cc1ccccc1F)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719070 635234116 /nfs/dbraw/zinc/23/41/16/635234116.db2.gz UWXMBPMOXLEBLV-GOEBONIOSA-N 2 1 278.371 2.026 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(F)ncc1F ZINC000823624629 635234610 /nfs/dbraw/zinc/23/46/10/635234610.db2.gz BDTNQPWMPICFBE-SNVBAGLBSA-N 2 1 280.322 2.291 20 0 CEADMP FC(F)(F)CO[C@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903722891 635235829 /nfs/dbraw/zinc/23/58/29/635235829.db2.gz QJDJBCXUMCJPJY-STQMWFEESA-N 2 1 294.361 2.419 20 0 CEADMP FC(F)(F)CO[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903722891 635235831 /nfs/dbraw/zinc/23/58/31/635235831.db2.gz QJDJBCXUMCJPJY-STQMWFEESA-N 2 1 294.361 2.419 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903723855 635237030 /nfs/dbraw/zinc/23/70/30/635237030.db2.gz YVFKDBSIMJJPMY-OAHLLOKOSA-N 2 1 292.423 2.396 20 0 CEADMP c1csc(C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)c1 ZINC000903723928 635237104 /nfs/dbraw/zinc/23/71/04/635237104.db2.gz JMWFTIBYOUNTOY-HOCLYGCPSA-N 2 1 292.448 2.481 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903725901 635238707 /nfs/dbraw/zinc/23/87/07/635238707.db2.gz IWWVSJAUDOCSJQ-CABCVRRESA-N 2 1 266.429 2.267 20 0 CEADMP Oc1ccc2c(c1)CC[N@H+](C[C@@H]1CCCC[NH2+]C1)CC2 ZINC000903725522 635238727 /nfs/dbraw/zinc/23/87/27/635238727.db2.gz CAWSQTZSRRQYBU-CQSZACIVSA-N 2 1 274.408 2.183 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCS1 ZINC000903733430 635239209 /nfs/dbraw/zinc/23/92/09/635239209.db2.gz KAXIROVPPGHBEI-LSDHHAIUSA-N 2 1 298.496 2.219 20 0 CEADMP CC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H](C)C(C)C ZINC000903726740 635239476 /nfs/dbraw/zinc/23/94/76/635239476.db2.gz NYOSATNKMOXXPO-SOUVJXGZSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H](O)C[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CCCCC1 ZINC000903726521 635239976 /nfs/dbraw/zinc/23/99/76/635239976.db2.gz MLUSKLYFHLYESY-GJZGRUSLSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729204 635240613 /nfs/dbraw/zinc/24/06/13/635240613.db2.gz KSIJFDXCWFBWCD-XYPHTWIQSA-N 2 1 290.407 2.154 20 0 CEADMP OCC[N@@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000903729711 635240875 /nfs/dbraw/zinc/24/08/75/635240875.db2.gz REKBXEHWSLSRSY-CRAIPNDOSA-N 2 1 288.435 2.358 20 0 CEADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC2(CCCC2)C1 ZINC000903729937 635241887 /nfs/dbraw/zinc/24/18/87/635241887.db2.gz SWGZSNMDVMXQRJ-HOCLYGCPSA-N 2 1 264.413 2.021 20 0 CEADMP CC(C)(C)[C@@H]1CCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903730620 635241944 /nfs/dbraw/zinc/24/19/44/635241944.db2.gz YAQWHDYRPJKFHC-YCPHGPKFSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000903751189 635247522 /nfs/dbraw/zinc/24/75/22/635247522.db2.gz FCHUJFHXPJVZCI-QGZVFWFLSA-N 2 1 287.451 2.290 20 0 CEADMP C[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903734175 635250529 /nfs/dbraw/zinc/25/05/29/635250529.db2.gz PMBGWNXALGPNRF-JLSDUUJJSA-N 2 1 286.419 2.202 20 0 CEADMP Cn1c2ccccc2nc1CC[N@@H+]1CCC[C@@H]2CC[C@@]21CN ZINC000903798612 635276396 /nfs/dbraw/zinc/27/63/96/635276396.db2.gz OCONAAOOHCPGBR-RDTXWAMCSA-N 2 1 298.434 2.319 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@@H]2CC[C@@]21CN ZINC000903798612 635276400 /nfs/dbraw/zinc/27/64/00/635276400.db2.gz OCONAAOOHCPGBR-RDTXWAMCSA-N 2 1 298.434 2.319 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000903807807 635282029 /nfs/dbraw/zinc/28/20/29/635282029.db2.gz UVFNWYJGJYOULK-HUUCEWRRSA-N 2 1 284.444 2.021 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000903807807 635282034 /nfs/dbraw/zinc/28/20/34/635282034.db2.gz UVFNWYJGJYOULK-HUUCEWRRSA-N 2 1 284.444 2.021 20 0 CEADMP C[N@H+](Cc1cccc2cccnc21)C1(C[NH3+])CCOCC1 ZINC000903808260 635282107 /nfs/dbraw/zinc/28/21/07/635282107.db2.gz FNTYUYXERCLVMN-UHFFFAOYSA-N 2 1 285.391 2.175 20 0 CEADMP C[N@@H+](Cc1cccc2cccnc21)C1(C[NH3+])CCOCC1 ZINC000903808260 635282118 /nfs/dbraw/zinc/28/21/18/635282118.db2.gz FNTYUYXERCLVMN-UHFFFAOYSA-N 2 1 285.391 2.175 20 0 CEADMP Cc1nocc1C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810504 635284270 /nfs/dbraw/zinc/28/42/70/635284270.db2.gz CPJGPVGTIFQEMC-CQSZACIVSA-N 2 1 263.385 2.467 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCOC(F)F)CCC1 ZINC000903813048 635286407 /nfs/dbraw/zinc/28/64/07/635286407.db2.gz YBRHOJLKIDFINI-NSHDSACASA-N 2 1 262.344 2.209 20 0 CEADMP CCOCCOCC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812456 635286675 /nfs/dbraw/zinc/28/66/75/635286675.db2.gz TVRRLTZQRLQKHB-HNNXBMFYSA-N 2 1 284.444 2.023 20 0 CEADMP CC(C)COC[C@H](O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812102 635286782 /nfs/dbraw/zinc/28/67/82/635286782.db2.gz PQXQKDZCUUPLSR-HZPDHXFCSA-N 2 1 298.471 2.003 20 0 CEADMP CC1(C)C[NH2+]C[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000903822256 635290400 /nfs/dbraw/zinc/29/04/00/635290400.db2.gz YHCIPHUFBHTUQY-OAHLLOKOSA-N 2 1 262.397 2.433 20 0 CEADMP c1csc(C[C@@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000903832866 635296599 /nfs/dbraw/zinc/29/65/99/635296599.db2.gz SDNDCNNQTLTWKV-LBPRGKRZSA-N 2 1 265.426 2.150 20 0 CEADMP c1csc(C[C@@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000903832866 635296601 /nfs/dbraw/zinc/29/66/01/635296601.db2.gz SDNDCNNQTLTWKV-LBPRGKRZSA-N 2 1 265.426 2.150 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@H]1CC1(Cl)Cl)C2 ZINC000903842729 635301247 /nfs/dbraw/zinc/30/12/47/635301247.db2.gz SSKDUHNYGQBILP-MMWGEVLESA-N 2 1 263.212 2.382 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2CCC[C@]23CC[NH2+]C3)C(C)(C)O1 ZINC000903869312 635317579 /nfs/dbraw/zinc/31/75/79/635317579.db2.gz GWJSUPKKUDJFHI-XJKSGUPXSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2CC(C)C)cnn1C ZINC000903884363 635326423 /nfs/dbraw/zinc/32/64/23/635326423.db2.gz XTBRPNHQZZOLPU-RDJZCZTQSA-N 2 1 292.471 2.356 20 0 CEADMP OC[C@@H]1c2ccccc2CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895054 635330497 /nfs/dbraw/zinc/33/04/97/635330497.db2.gz KDSLIQAUTUIVFJ-NPVYPNSJSA-N 2 1 286.419 2.109 20 0 CEADMP OC[C@H]1c2ccccc2CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895055 635330904 /nfs/dbraw/zinc/33/09/04/635330904.db2.gz KDSLIQAUTUIVFJ-NZZOQPFGSA-N 2 1 286.419 2.109 20 0 CEADMP c1cc(C[C@@H]2CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)ccn1 ZINC000903908507 635343110 /nfs/dbraw/zinc/34/31/10/635343110.db2.gz KELMOIDYFBIDBL-OOKSDGMUSA-N 2 1 285.435 2.477 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H](C2CC2)O1 ZINC000903910789 635344730 /nfs/dbraw/zinc/34/47/30/635344730.db2.gz QZEJFIONVRHSKY-FZKQIMNGSA-N 2 1 286.419 2.332 20 0 CEADMP CCC[C@@]1(COC)CCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903913246 635347495 /nfs/dbraw/zinc/34/74/95/635347495.db2.gz NRTFOMVNJTWQPU-YPMHNXCESA-N 2 1 264.360 2.250 20 0 CEADMP CCC[C@@]1(COC)CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903913246 635347500 /nfs/dbraw/zinc/34/75/00/635347500.db2.gz NRTFOMVNJTWQPU-YPMHNXCESA-N 2 1 264.360 2.250 20 0 CEADMP [NH3+][C@@H](C[NH2+]C[C@@H](O)c1ccc2ccccc2c1)CC(F)F ZINC000903919507 635348947 /nfs/dbraw/zinc/34/89/47/635348947.db2.gz DDZGNLNAGIKROE-HUUCEWRRSA-N 2 1 294.345 2.445 20 0 CEADMP CSc1ccc(C[NH2+]C[C@H]([NH3+])CC(F)F)cc1 ZINC000903925951 635352300 /nfs/dbraw/zinc/35/23/00/635352300.db2.gz JIEDSJOGBMSWEL-SNVBAGLBSA-N 2 1 260.353 2.481 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](N)CC(F)F)CC1 ZINC000903927328 635354276 /nfs/dbraw/zinc/35/42/76/635354276.db2.gz XNIBFZIQJFWJRP-AWEZNQCLSA-N 2 1 291.430 2.317 20 0 CEADMP C[C@H](CO)[N@H+](Cc1cccc2c1CC[NH2+]C2)CC1CCC1 ZINC000903927886 635354366 /nfs/dbraw/zinc/35/43/66/635354366.db2.gz UVAUXSGRZYOPAL-CQSZACIVSA-N 2 1 288.435 2.315 20 0 CEADMP C[C@@H](C[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000903937375 635362291 /nfs/dbraw/zinc/36/22/91/635362291.db2.gz JORWVTMJBKKEKM-KBPBESRZSA-N 2 1 293.459 2.317 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000903937376 635362662 /nfs/dbraw/zinc/36/26/62/635362662.db2.gz JORWVTMJBKKEKM-KGLIPLIRSA-N 2 1 293.459 2.317 20 0 CEADMP CC(C)[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC1CCC1 ZINC000903916985 635364604 /nfs/dbraw/zinc/36/46/04/635364604.db2.gz JEBWQRDIQIJSJQ-OAHLLOKOSA-N 2 1 291.443 2.213 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(N)nn2)CC1 ZINC000904307515 635556726 /nfs/dbraw/zinc/55/67/26/635556726.db2.gz CGNPMAMTLIUEIB-UHFFFAOYSA-N 2 1 291.443 2.003 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)C1 ZINC000904305225 635556987 /nfs/dbraw/zinc/55/69/87/635556987.db2.gz HYPIUHCPEIVRGD-MJBXVCDLSA-N 2 1 280.437 2.466 20 0 CEADMP CC[N@@H+](CCc1ccccn1)C[C@]1(C)CCC[NH2+]C1 ZINC000904312316 635559902 /nfs/dbraw/zinc/55/99/02/635559902.db2.gz HASQUVNFJUZPMV-MRXNPFEDSA-N 2 1 261.413 2.336 20 0 CEADMP CC(C)(C)[N@H+]1CCCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904313693 635561411 /nfs/dbraw/zinc/56/14/11/635561411.db2.gz JRCSRMSGYJEJDO-INIZCTEOSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314405 635562225 /nfs/dbraw/zinc/56/22/25/635562225.db2.gz WDQHJPXJDDVJDT-VQHPVUNQSA-N 3 1 279.472 2.310 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314405 635562230 /nfs/dbraw/zinc/56/22/30/635562230.db2.gz WDQHJPXJDDVJDT-VQHPVUNQSA-N 3 1 279.472 2.310 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314405 635562238 /nfs/dbraw/zinc/56/22/38/635562238.db2.gz WDQHJPXJDDVJDT-VQHPVUNQSA-N 3 1 279.472 2.310 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314405 635562241 /nfs/dbraw/zinc/56/22/41/635562241.db2.gz WDQHJPXJDDVJDT-VQHPVUNQSA-N 2 1 279.472 2.310 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314405 635562244 /nfs/dbraw/zinc/56/22/44/635562244.db2.gz WDQHJPXJDDVJDT-VQHPVUNQSA-N 2 1 279.472 2.310 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904325413 635572252 /nfs/dbraw/zinc/57/22/52/635572252.db2.gz YMBHLOMLFMUJKF-CVEARBPZSA-N 2 1 267.461 2.182 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC000904329393 635575132 /nfs/dbraw/zinc/57/51/32/635575132.db2.gz YIQHWTITGADHGA-RFQIPJPRSA-N 2 1 252.402 2.003 20 0 CEADMP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904331177 635576193 /nfs/dbraw/zinc/57/61/93/635576193.db2.gz DQLYEFKFSZZFPE-DBIOUOCHSA-N 2 1 250.308 2.387 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C)CCN1C[C@@H]([NH3+])CCC(C)(C)C ZINC000904332470 635576276 /nfs/dbraw/zinc/57/62/76/635576276.db2.gz PDRLUZZVCMLYPG-LSDHHAIUSA-N 2 1 269.477 2.412 20 0 CEADMP CN(C)[C@@H](C[NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000904369108 635592295 /nfs/dbraw/zinc/59/22/95/635592295.db2.gz YCFSKWAMFYAJFM-IRXDYDNUSA-N 2 1 275.440 2.269 20 0 CEADMP Cc1ccc2nc(CNC[C@@]3(C)CCC[NH2+]C3)[nH]c2c1 ZINC000904364785 635596717 /nfs/dbraw/zinc/59/67/17/635596717.db2.gz QVNPQICVXTUKBM-INIZCTEOSA-N 2 1 272.396 2.351 20 0 CEADMP COCC[N@H+](Cc1ccc(C)cc1C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904388334 635597573 /nfs/dbraw/zinc/59/75/73/635597573.db2.gz HFVCBDRANCUYGF-WOVMCDHWSA-N 2 1 276.424 2.489 20 0 CEADMP CCOC(=O)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCCCCC1 ZINC000904377482 635603000 /nfs/dbraw/zinc/60/30/00/635603000.db2.gz QOUJCFUOLLDVFV-CFVMTHIKSA-N 2 1 282.428 2.215 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000904404939 635611468 /nfs/dbraw/zinc/61/14/68/635611468.db2.gz BPNLVWFXTYUOBE-ZDUSSCGKSA-N 2 1 276.380 2.019 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1F ZINC000904406448 635613514 /nfs/dbraw/zinc/61/35/14/635613514.db2.gz VHJHASGMKXEKJY-LBPRGKRZSA-N 2 1 266.360 2.395 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000904409665 635614899 /nfs/dbraw/zinc/61/48/99/635614899.db2.gz FUQKRTFMEOXFHU-GFCCVEGCSA-N 2 1 282.457 2.160 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(F)c1 ZINC000904410227 635616987 /nfs/dbraw/zinc/61/69/87/635616987.db2.gz MQHYUDCGFBCLLZ-VXGBXAGGSA-N 2 1 266.360 2.251 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@@H]1C[NH3+] ZINC000904411200 635619502 /nfs/dbraw/zinc/61/95/02/635619502.db2.gz JQIHLKVXTRMDFX-DZGCQCFKSA-N 2 1 284.407 2.493 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc(OC)c1 ZINC000904412285 635620060 /nfs/dbraw/zinc/62/00/60/635620060.db2.gz RLGFRQHVIQSZGG-TZMCWYRMSA-N 2 1 278.396 2.121 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CC[C@H]1C[NH3+] ZINC000904412708 635620404 /nfs/dbraw/zinc/62/04/04/635620404.db2.gz YCMVPRYWCBUNJR-OLZOCXBDSA-N 2 1 290.436 2.351 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000904412848 635620458 /nfs/dbraw/zinc/62/04/58/635620458.db2.gz XUGXFGKEZUNJCO-WFASDCNBSA-N 2 1 275.396 2.062 20 0 CEADMP COCCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000904412478 635620539 /nfs/dbraw/zinc/62/05/39/635620539.db2.gz UOWPOWFPBHYMJF-HOCLYGCPSA-N 2 1 292.423 2.129 20 0 CEADMP c1oc2ccccc2c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420501 635631697 /nfs/dbraw/zinc/63/16/97/635631697.db2.gz QTYZUFKTKDLSPF-QWHCGFSZSA-N 2 1 256.349 2.474 20 0 CEADMP C[C@]12C[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000904464332 635636888 /nfs/dbraw/zinc/63/68/88/635636888.db2.gz VGHZQFHJJAPNDB-XJBAAKRRSA-N 2 1 258.356 2.337 20 0 CEADMP Cc1cc(C[NH2+]CC2([NH3+])CC2)ccc1Br ZINC000904449579 635640468 /nfs/dbraw/zinc/64/04/68/635640468.db2.gz KZAIMGDYUVMLDI-UHFFFAOYSA-N 2 1 269.186 2.338 20 0 CEADMP C[C@@]1(C[NH2+][C@@H]2CCOc3c(F)cccc32)CC[NH2+]C1 ZINC000904445946 635640539 /nfs/dbraw/zinc/64/05/39/635640539.db2.gz VHZAYWCNEDHZGY-UKRRQHHQSA-N 2 1 264.344 2.239 20 0 CEADMP Cc1c[nH]nc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904470739 635647161 /nfs/dbraw/zinc/64/71/61/635647161.db2.gz BMXABJKFSSUBJL-YOEHRIQHSA-N 2 1 298.390 2.064 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccccc1C[NH3+] ZINC000904634998 635691954 /nfs/dbraw/zinc/69/19/54/635691954.db2.gz WHCPWOYCBWEWFB-CYBMUJFWSA-N 2 1 292.427 2.387 20 0 CEADMP CC[C@](O)(C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)C(F)(F)F ZINC000905156623 635832282 /nfs/dbraw/zinc/83/22/82/635832282.db2.gz UYJFWMQNODFGPA-TUAOUCFPSA-N 2 1 282.350 2.152 20 0 CEADMP NC1(c2noc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)CC1 ZINC000905322187 636219904 /nfs/dbraw/zinc/21/99/04/636219904.db2.gz SBNFSPBKLCSAEH-CQSZACIVSA-N 2 1 298.390 2.397 20 0 CEADMP [NH3+]C1(c2noc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)CC1 ZINC000905322187 636219914 /nfs/dbraw/zinc/21/99/14/636219914.db2.gz SBNFSPBKLCSAEH-CQSZACIVSA-N 2 1 298.390 2.397 20 0 CEADMP [NH3+]C1(c2noc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)CC1 ZINC000905322187 636219919 /nfs/dbraw/zinc/21/99/19/636219919.db2.gz SBNFSPBKLCSAEH-CQSZACIVSA-N 2 1 298.390 2.397 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000906517797 636765342 /nfs/dbraw/zinc/76/53/42/636765342.db2.gz RJIPNKAHCWECAL-MGCOHNPYSA-N 2 1 262.250 2.424 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000906794579 636855142 /nfs/dbraw/zinc/85/51/42/636855142.db2.gz YSHRMXBSLRVKHU-GJZGRUSLSA-N 2 1 297.487 2.201 20 0 CEADMP CC[C@@H](C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+](C)C ZINC000907285796 636984115 /nfs/dbraw/zinc/98/41/15/636984115.db2.gz NYYJQFJBGGWNQY-DZKIICNBSA-N 2 1 295.471 2.096 20 0 CEADMP CC1=CC[N@@H+](CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000907386773 637006460 /nfs/dbraw/zinc/00/64/60/637006460.db2.gz WCVVYHJRLBUUDA-UHFFFAOYSA-N 2 1 293.455 2.019 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[NH+](C)C[C@H]2CC)C1 ZINC000907923743 637168706 /nfs/dbraw/zinc/16/87/06/637168706.db2.gz CKBBTRYZURBSJN-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@H+](C)C[C@H]2CC)C1 ZINC000907923743 637168708 /nfs/dbraw/zinc/16/87/08/637168708.db2.gz CKBBTRYZURBSJN-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@@H+](C)C[C@H]2CC)C1 ZINC000907923743 637168713 /nfs/dbraw/zinc/16/87/13/637168713.db2.gz CKBBTRYZURBSJN-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000908306368 637296692 /nfs/dbraw/zinc/29/66/92/637296692.db2.gz NOWJVAWYVPGRCM-JYJNAYRXSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000908306368 637296696 /nfs/dbraw/zinc/29/66/96/637296696.db2.gz NOWJVAWYVPGRCM-JYJNAYRXSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000908306368 637296697 /nfs/dbraw/zinc/29/66/97/637296697.db2.gz NOWJVAWYVPGRCM-JYJNAYRXSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCc2ccccc21 ZINC000909089139 637600436 /nfs/dbraw/zinc/60/04/36/637600436.db2.gz UTJPZQFPDBFFBN-RDJZCZTQSA-N 2 1 274.408 2.062 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCc2ccccc21 ZINC000909089139 637600438 /nfs/dbraw/zinc/60/04/38/637600438.db2.gz UTJPZQFPDBFFBN-RDJZCZTQSA-N 2 1 274.408 2.062 20 0 CEADMP CC[N@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000910270392 637965736 /nfs/dbraw/zinc/96/57/36/637965736.db2.gz LVIIJSPMYRTJBC-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000876899222 650477983 /nfs/dbraw/zinc/47/79/83/650477983.db2.gz UMDPRAXCXSYEID-KPZWWZAWSA-N 2 1 276.361 2.393 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1COC(=O)[C@@H]1CCCCN1C ZINC000837538733 639271502 /nfs/dbraw/zinc/27/15/02/639271502.db2.gz QOZUGFGHAQXFBY-CABCVRRESA-N 2 1 282.428 2.277 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000163867054 639333868 /nfs/dbraw/zinc/33/38/68/639333868.db2.gz YOCOHQJAZRMZIC-LSDHHAIUSA-N 2 1 262.397 2.291 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000163867172 639334111 /nfs/dbraw/zinc/33/41/11/639334111.db2.gz YOCOHQJAZRMZIC-HUUCEWRRSA-N 2 1 262.397 2.291 20 0 CEADMP ClC1(Cl)C[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000876934218 650492512 /nfs/dbraw/zinc/49/25/12/650492512.db2.gz DFPQLDWLNDYWEJ-MXWKQRLJSA-N 2 1 263.212 2.397 20 0 CEADMP ClC1(Cl)C[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000876934218 650492516 /nfs/dbraw/zinc/49/25/16/650492516.db2.gz DFPQLDWLNDYWEJ-MXWKQRLJSA-N 2 1 263.212 2.397 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2F)CC[N@@H+]1C ZINC000226874429 639567526 /nfs/dbraw/zinc/56/75/26/639567526.db2.gz BGCSLASOIKKDKM-JTNHKYCSSA-N 2 1 284.350 2.071 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2F)CC[N@H+]1C ZINC000226874429 639567533 /nfs/dbraw/zinc/56/75/33/639567533.db2.gz BGCSLASOIKKDKM-JTNHKYCSSA-N 2 1 284.350 2.071 20 0 CEADMP C([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)[C@H]1CCCC[NH2+]1 ZINC000841033574 639626933 /nfs/dbraw/zinc/62/69/33/639626933.db2.gz WAUPDJDYOICWOZ-FDYHWXHSSA-N 2 1 272.483 2.098 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841038763 639628398 /nfs/dbraw/zinc/62/83/98/639628398.db2.gz PQTDMUQNHXTDGK-LPWJVIDDSA-N 2 1 274.499 2.329 20 0 CEADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000841062988 639637808 /nfs/dbraw/zinc/63/78/08/639637808.db2.gz FCQIUEBVTHMJFZ-ZWNOBZJWSA-N 2 1 268.788 2.436 20 0 CEADMP CC[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991860245 639681124 /nfs/dbraw/zinc/68/11/24/639681124.db2.gz KEPWDPALDXSFQW-DOTOQJQBSA-N 2 1 298.390 2.081 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC)C1)OC ZINC000876988652 650521686 /nfs/dbraw/zinc/52/16/86/650521686.db2.gz ILQRKIMJHJJHEC-KKUMJFAQSA-N 2 1 256.434 2.369 20 0 CEADMP CCn1cncc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000841881786 639897400 /nfs/dbraw/zinc/89/74/00/639897400.db2.gz DCTPZRKZJUMZBG-UHFFFAOYSA-N 2 1 276.428 2.211 20 0 CEADMP O[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000312226132 640007480 /nfs/dbraw/zinc/00/74/80/640007480.db2.gz GCWZFEUZPAFDMO-GVDBMIGSSA-N 2 1 274.408 2.327 20 0 CEADMP Cc1noc([C@H]2CCC[N@@H+](CCCCCCC[NH3+])C2)n1 ZINC000842472112 640071106 /nfs/dbraw/zinc/07/11/06/640071106.db2.gz RDLCIZDGBFDJLZ-AWEZNQCLSA-N 2 1 280.416 2.467 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000842474655 640073718 /nfs/dbraw/zinc/07/37/18/640073718.db2.gz WOEIFMRNGMBSFU-LSDHHAIUSA-N 2 1 282.428 2.184 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2N)CC[N@@H+]1C ZINC000877070526 650558773 /nfs/dbraw/zinc/55/87/73/650558773.db2.gz PFLRLYRLIAVFEZ-CMPLNLGQSA-N 2 1 267.804 2.495 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2N)CC[N@H+]1C ZINC000877070526 650558775 /nfs/dbraw/zinc/55/87/75/650558775.db2.gz PFLRLYRLIAVFEZ-CMPLNLGQSA-N 2 1 267.804 2.495 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2N)CC[N@@H+]1C ZINC000877070528 650558910 /nfs/dbraw/zinc/55/89/10/650558910.db2.gz PFLRLYRLIAVFEZ-JQWIXIFHSA-N 2 1 267.804 2.495 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2N)CC[N@H+]1C ZINC000877070528 650558911 /nfs/dbraw/zinc/55/89/11/650558911.db2.gz PFLRLYRLIAVFEZ-JQWIXIFHSA-N 2 1 267.804 2.495 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOC2CCSCC2)C1 ZINC000929789366 640209248 /nfs/dbraw/zinc/20/92/48/640209248.db2.gz DPMMGDAYPCBCAW-CQSZACIVSA-N 2 1 286.485 2.172 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOC2CCSCC2)C1 ZINC000929789366 640209250 /nfs/dbraw/zinc/20/92/50/640209250.db2.gz DPMMGDAYPCBCAW-CQSZACIVSA-N 2 1 286.485 2.172 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOC2CCSCC2)C1 ZINC000929789366 640209254 /nfs/dbraw/zinc/20/92/54/640209254.db2.gz DPMMGDAYPCBCAW-CQSZACIVSA-N 2 1 286.485 2.172 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOC2CCSCC2)C1 ZINC000929789366 640209256 /nfs/dbraw/zinc/20/92/56/640209256.db2.gz DPMMGDAYPCBCAW-CQSZACIVSA-N 2 1 286.485 2.172 20 0 CEADMP CC[C@H]1C[C@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)CCO1 ZINC000843044125 640249947 /nfs/dbraw/zinc/24/99/47/640249947.db2.gz UMFRAYVCOJXMJC-CJNGLKHVSA-N 2 1 266.429 2.408 20 0 CEADMP CCc1ccc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000843062003 640263779 /nfs/dbraw/zinc/26/37/79/640263779.db2.gz KHHWDBZUOHISJS-KRWDZBQOSA-N 2 1 287.451 2.371 20 0 CEADMP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125871 640292309 /nfs/dbraw/zinc/29/23/09/640292309.db2.gz KBGMFMMWUVABMR-QWHCGFSZSA-N 2 1 296.846 2.203 20 0 CEADMP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125868 640292373 /nfs/dbraw/zinc/29/23/73/640292373.db2.gz KBGMFMMWUVABMR-CHWSQXEVSA-N 2 1 296.846 2.203 20 0 CEADMP Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843127965 640294422 /nfs/dbraw/zinc/29/44/22/640294422.db2.gz USSRLBFZMVGKOE-QWHCGFSZSA-N 2 1 296.846 2.285 20 0 CEADMP Cn1c(Cl)cnc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843127965 640294426 /nfs/dbraw/zinc/29/44/26/640294426.db2.gz USSRLBFZMVGKOE-QWHCGFSZSA-N 2 1 296.846 2.285 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000843136563 640299645 /nfs/dbraw/zinc/29/96/45/640299645.db2.gz YWZJWTLMKHPUBN-CYBMUJFWSA-N 2 1 278.400 2.159 20 0 CEADMP CCCCCCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000843358848 640402385 /nfs/dbraw/zinc/40/23/85/640402385.db2.gz VKYCSQOTXGLGOI-HOTGVXAUSA-N 2 1 295.471 2.004 20 0 CEADMP Clc1ncc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000843363907 640405884 /nfs/dbraw/zinc/40/58/84/640405884.db2.gz SQGNLRRWTGMNQT-UHFFFAOYSA-N 2 1 271.817 2.372 20 0 CEADMP CCc1ccc2c(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc(=O)oc2c1 ZINC000843377828 640411591 /nfs/dbraw/zinc/41/15/91/640411591.db2.gz NWVGPMWGWXPYCJ-GASCZTMLSA-N 2 1 298.386 2.007 20 0 CEADMP CCc1ccc2c(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc(=O)oc2c1 ZINC000843377828 640411597 /nfs/dbraw/zinc/41/15/97/640411597.db2.gz NWVGPMWGWXPYCJ-GASCZTMLSA-N 2 1 298.386 2.007 20 0 CEADMP c1ccc([C@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)nc1 ZINC000843388699 640413364 /nfs/dbraw/zinc/41/33/64/640413364.db2.gz CDZULENSTUUEMZ-HNNXBMFYSA-N 2 1 259.397 2.261 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834908017 640438699 /nfs/dbraw/zinc/43/86/99/640438699.db2.gz ACHWALSHGRPMDU-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)C(C)C ZINC000844181163 640625813 /nfs/dbraw/zinc/62/58/13/640625813.db2.gz YKLQJWOIOIHWKN-AWEZNQCLSA-N 2 1 297.830 2.186 20 0 CEADMP CC[NH2+]CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000844202818 640631062 /nfs/dbraw/zinc/63/10/62/640631062.db2.gz ILOPORWEQMLAIM-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+](CCCCCCC[NH3+])Cc1nnc2ccccn21 ZINC000844221592 640635580 /nfs/dbraw/zinc/63/55/80/640635580.db2.gz HCVUSSCPNOYXIL-UHFFFAOYSA-N 2 1 275.400 2.070 20 0 CEADMP C[N@@H+](CCCCCCC[NH3+])Cc1nnc2ccccn21 ZINC000844221592 640635582 /nfs/dbraw/zinc/63/55/82/640635582.db2.gz HCVUSSCPNOYXIL-UHFFFAOYSA-N 2 1 275.400 2.070 20 0 CEADMP CC[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCO1 ZINC000844901630 640860515 /nfs/dbraw/zinc/86/05/15/640860515.db2.gz JAHKBCCQWDXMGL-VGWMRTNUSA-N 2 1 266.429 2.252 20 0 CEADMP CCC(CC)(C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)SC ZINC000232923782 641082531 /nfs/dbraw/zinc/08/25/31/641082531.db2.gz QQBCXWCHWDLUJI-STQMWFEESA-N 2 1 274.474 2.265 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4cnccc4c3)C[C@@H]2C1 ZINC000683844543 641140281 /nfs/dbraw/zinc/14/02/81/641140281.db2.gz RMLWCKAIOCLREX-CALCHBBNSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4cnccc4c3)C[C@@H]2C1 ZINC000683844543 641140290 /nfs/dbraw/zinc/14/02/90/641140290.db2.gz RMLWCKAIOCLREX-CALCHBBNSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc4cnccc4c3)C[C@@H]2C1 ZINC000683844543 641140296 /nfs/dbraw/zinc/14/02/96/641140296.db2.gz RMLWCKAIOCLREX-CALCHBBNSA-N 2 1 267.376 2.228 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000846226773 641235083 /nfs/dbraw/zinc/23/50/83/641235083.db2.gz BRKHAMWXNYKRMZ-ZACQAIPSSA-N 3 1 297.487 2.256 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4nonc4c3)CC[C@H]21 ZINC000846818811 641437912 /nfs/dbraw/zinc/43/79/12/641437912.db2.gz SMKQJNAMDSDJCL-CZUORRHYSA-N 2 1 286.379 2.139 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4nonc4c3)CC[C@H]21 ZINC000846818811 641437914 /nfs/dbraw/zinc/43/79/14/641437914.db2.gz SMKQJNAMDSDJCL-CZUORRHYSA-N 2 1 286.379 2.139 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4nonc4c3)CC[C@H]21 ZINC000846818811 641437916 /nfs/dbraw/zinc/43/79/16/641437916.db2.gz SMKQJNAMDSDJCL-CZUORRHYSA-N 2 1 286.379 2.139 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(CC)c1ccccc1 ZINC000846843482 641449656 /nfs/dbraw/zinc/44/96/56/641449656.db2.gz DKYVJPLRILOZLN-JKSUJKDBSA-N 2 1 264.413 2.214 20 0 CEADMP C(CC1CCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848532521 642039250 /nfs/dbraw/zinc/03/92/50/642039250.db2.gz BDJRVKWGJXVTQH-HNNXBMFYSA-N 2 1 252.402 2.020 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)cnc2Cl)C1 ZINC000848719715 642112483 /nfs/dbraw/zinc/11/24/83/642112483.db2.gz DKASXDIHPNOXGN-GHMZBOCLSA-N 2 1 257.740 2.234 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2CCOC2)cc1 ZINC000769534080 642136654 /nfs/dbraw/zinc/13/66/54/642136654.db2.gz RETQDZVSDQPFFN-MRXNPFEDSA-N 2 1 262.397 2.217 20 0 CEADMP CC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000848986825 642209445 /nfs/dbraw/zinc/20/94/45/642209445.db2.gz GLIXARHIVXYYJT-XQQFMLRXSA-N 2 1 254.422 2.162 20 0 CEADMP Cc1ccc(CNC(=[NH2+])NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000848987744 642210230 /nfs/dbraw/zinc/21/02/30/642210230.db2.gz XKUOVGKFBVHDFC-OAHLLOKOSA-N 2 1 288.439 2.483 20 0 CEADMP COc1cccc(NC(=[NH2+])NCCC[N@@H+](C)C(C)C)c1 ZINC000848987587 642210308 /nfs/dbraw/zinc/21/03/08/642210308.db2.gz IZNKXBVICKHOLY-UHFFFAOYSA-N 2 1 278.400 2.362 20 0 CEADMP C[C@H]1C[C@@H](CCNC(=[NH2+])N(C)C)C[N@H+]1Cc1ccccc1 ZINC000848990092 642211397 /nfs/dbraw/zinc/21/13/97/642211397.db2.gz YKKOOXHFXLCPSY-GOEBONIOSA-N 2 1 288.439 2.373 20 0 CEADMP Cc1ccc([C@H](CNC2=[NH+]CCCN2C)[NH+]2CCCC2)o1 ZINC000849001069 642219441 /nfs/dbraw/zinc/21/94/41/642219441.db2.gz ZEVGFCJYUMDKLI-AWEZNQCLSA-N 2 1 290.411 2.006 20 0 CEADMP CC[N@H+]1CC[C@@H](CNCc2nccc3c2CCCC3)C1 ZINC000921545238 642219966 /nfs/dbraw/zinc/21/99/66/642219966.db2.gz DYPDCKWXBFPJIT-AWEZNQCLSA-N 2 1 273.424 2.392 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2nccc3c2CCCC3)C1 ZINC000921545238 642219968 /nfs/dbraw/zinc/21/99/68/642219968.db2.gz DYPDCKWXBFPJIT-AWEZNQCLSA-N 2 1 273.424 2.392 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2nccc3c2CCCC3)C1 ZINC000921545238 642219973 /nfs/dbraw/zinc/21/99/73/642219973.db2.gz DYPDCKWXBFPJIT-AWEZNQCLSA-N 2 1 273.424 2.392 20 0 CEADMP Cc1cccc(NC(=[NH2+])NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000849003879 642221231 /nfs/dbraw/zinc/22/12/31/642221231.db2.gz MGPVHHRBWZXDQA-HNNXBMFYSA-N 2 1 292.452 2.369 20 0 CEADMP c1nn(C2CCC2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000921547134 642228118 /nfs/dbraw/zinc/22/81/18/642228118.db2.gz IJKDGCAPLDMFQL-GDBMZVCRSA-N 2 1 274.412 2.325 20 0 CEADMP c1nn(C2CCC2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000921547134 642228121 /nfs/dbraw/zinc/22/81/21/642228121.db2.gz IJKDGCAPLDMFQL-GDBMZVCRSA-N 2 1 274.412 2.325 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC1CC(F)(F)C1 ZINC000849039358 642250428 /nfs/dbraw/zinc/25/04/28/642250428.db2.gz UIXYAANJBSIIMI-GFCCVEGCSA-N 2 1 288.386 2.020 20 0 CEADMP C[N@@H+](CCCCNC(=[NH2+])N1CCCCCC1)C1CC1 ZINC000849039589 642250781 /nfs/dbraw/zinc/25/07/81/642250781.db2.gz HUFJBQUWVOQZSM-UHFFFAOYSA-N 2 1 266.433 2.261 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NCC(C)C ZINC000849063500 642259086 /nfs/dbraw/zinc/25/90/86/642259086.db2.gz JVNFALJKBKRJHO-CQSZACIVSA-N 2 1 268.449 2.411 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CO1 ZINC000850038069 642549224 /nfs/dbraw/zinc/54/92/24/642549224.db2.gz KGSGWSFQAJPKSD-HUUCEWRRSA-N 2 1 286.379 2.233 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921714788 642558235 /nfs/dbraw/zinc/55/82/35/642558235.db2.gz CIZBAMUGRXGKPJ-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921714788 642558240 /nfs/dbraw/zinc/55/82/40/642558240.db2.gz CIZBAMUGRXGKPJ-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP CCCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001000849388 642659577 /nfs/dbraw/zinc/65/95/77/642659577.db2.gz HGGVHURHCAFAMS-MRXNPFEDSA-N 2 1 293.455 2.019 20 0 CEADMP CCCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001000849388 642659580 /nfs/dbraw/zinc/65/95/80/642659580.db2.gz HGGVHURHCAFAMS-MRXNPFEDSA-N 2 1 293.455 2.019 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000850430702 642710533 /nfs/dbraw/zinc/71/05/33/642710533.db2.gz OMYDVEBIZMMBEJ-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921914248 642782576 /nfs/dbraw/zinc/78/25/76/642782576.db2.gz IAIXQFJLLKOGMH-OAHLLOKOSA-N 2 1 277.412 2.245 20 0 CEADMP c1cn2c([nH+]1)C[C@H](C[NH2+]Cc1cccc3c1OCC3)CC2 ZINC000922063156 642861378 /nfs/dbraw/zinc/86/13/78/642861378.db2.gz DOOFQAZCHBAOTP-CYBMUJFWSA-N 2 1 283.375 2.170 20 0 CEADMP CCC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003009779 642892953 /nfs/dbraw/zinc/89/29/53/642892953.db2.gz AVVUTEINUONCNZ-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003230697 642920948 /nfs/dbraw/zinc/92/09/48/642920948.db2.gz QLCWPYNTOCGADE-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP COc1cnc(F)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000877584919 650801163 /nfs/dbraw/zinc/80/11/63/650801163.db2.gz LCCOKENLSQADFM-LBPRGKRZSA-N 2 1 281.375 2.051 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000929298150 643055147 /nfs/dbraw/zinc/05/51/47/643055147.db2.gz UTAATYUELHOOBJ-KRWDZBQOSA-N 2 1 298.471 2.236 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CCc1ccccc1)C1CC1 ZINC000851738658 643136147 /nfs/dbraw/zinc/13/61/47/643136147.db2.gz NOUAHZMIAIWWAA-GOSISDBHSA-N 2 1 290.451 2.395 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CCc1ccccc1)C1CC1 ZINC000851738658 643136152 /nfs/dbraw/zinc/13/61/52/643136152.db2.gz NOUAHZMIAIWWAA-GOSISDBHSA-N 2 1 290.451 2.395 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CCc1ccccc1)C1CC1 ZINC000851738658 643136156 /nfs/dbraw/zinc/13/61/56/643136156.db2.gz NOUAHZMIAIWWAA-GOSISDBHSA-N 2 1 290.451 2.395 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CCc1ccccc1)C1CC1 ZINC000851738658 643136160 /nfs/dbraw/zinc/13/61/60/643136160.db2.gz NOUAHZMIAIWWAA-GOSISDBHSA-N 2 1 290.451 2.395 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2COC(C)(C)O2)CC1 ZINC000851751646 643145902 /nfs/dbraw/zinc/14/59/02/643145902.db2.gz VNSOQGLXRBZHQH-OAHLLOKOSA-N 2 1 284.444 2.190 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CC[C@@H]2COC(C)(C)O2)CC1 ZINC000851797185 643168130 /nfs/dbraw/zinc/16/81/30/643168130.db2.gz OWGPWJOUKFHHAO-OAHLLOKOSA-N 2 1 284.444 2.334 20 0 CEADMP CC1(C)OC[C@@H](CC[N@H+]2CCC[C@H](c3ncc[nH]3)C2)O1 ZINC000851845696 643188087 /nfs/dbraw/zinc/18/80/87/643188087.db2.gz MEAFDEUYPRJDSX-QWHCGFSZSA-N 2 1 279.384 2.131 20 0 CEADMP CO[C@H]1CC[C@H]([N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000851860343 643196893 /nfs/dbraw/zinc/19/68/93/643196893.db2.gz KHRSXYVYYFGZKL-KBPBESRZSA-N 2 1 251.374 2.081 20 0 CEADMP CO[C@H]1CC[C@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000851860343 643196895 /nfs/dbraw/zinc/19/68/95/643196895.db2.gz KHRSXYVYYFGZKL-KBPBESRZSA-N 2 1 251.374 2.081 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(N)c3)C2)C1 ZINC000852092668 643297077 /nfs/dbraw/zinc/29/70/77/643297077.db2.gz XNFXNNPJCWSLJT-INIZCTEOSA-N 2 1 259.397 2.187 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(N)c3)C2)C1 ZINC000852092668 643297083 /nfs/dbraw/zinc/29/70/83/643297083.db2.gz XNFXNNPJCWSLJT-INIZCTEOSA-N 2 1 259.397 2.187 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(N)c3)C2)C1 ZINC000852092668 643297085 /nfs/dbraw/zinc/29/70/85/643297085.db2.gz XNFXNNPJCWSLJT-INIZCTEOSA-N 2 1 259.397 2.187 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000852109148 643312358 /nfs/dbraw/zinc/31/23/58/643312358.db2.gz WPICGCPNKRWLIS-QZTJIDSGSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccccc1[C@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852109148 643312363 /nfs/dbraw/zinc/31/23/63/643312363.db2.gz WPICGCPNKRWLIS-QZTJIDSGSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccccc1[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852109148 643312369 /nfs/dbraw/zinc/31/23/69/643312369.db2.gz WPICGCPNKRWLIS-QZTJIDSGSA-N 2 1 288.435 2.446 20 0 CEADMP C[NH+](C)CCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186996469 643384653 /nfs/dbraw/zinc/38/46/53/643384653.db2.gz QZDWFTNPESWFFP-UHFFFAOYSA-N 2 1 278.396 2.373 20 0 CEADMP CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852754343 643537580 /nfs/dbraw/zinc/53/75/80/643537580.db2.gz TYIUKWIZOYZFJT-HIFRSBDPSA-N 2 1 282.428 2.040 20 0 CEADMP [NH3+]CCCCCCC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000852856306 643579983 /nfs/dbraw/zinc/57/99/83/643579983.db2.gz YLLROXVLKNVIOL-HNNXBMFYSA-N 2 1 295.471 2.419 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000852863339 643581487 /nfs/dbraw/zinc/58/14/87/643581487.db2.gz MRCSINPZIGRUIY-CABCVRRESA-N 2 1 283.460 2.084 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923280009 643636970 /nfs/dbraw/zinc/63/69/70/643636970.db2.gz CXVNJNPPMMRCOL-MAUKXSAKSA-N 2 1 284.403 2.024 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000923290565 643642811 /nfs/dbraw/zinc/64/28/11/643642811.db2.gz ZINHRCZZZRXKAG-VNQPRFMTSA-N 2 1 262.397 2.088 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000923290564 643643302 /nfs/dbraw/zinc/64/33/02/643643302.db2.gz ZINHRCZZZRXKAG-NUEKZKHPSA-N 2 1 262.397 2.088 20 0 CEADMP C[C@@H](O)C[N@@H+](CCC[NH2+]C1CC1)C1CCCCC1 ZINC000923312869 643653188 /nfs/dbraw/zinc/65/31/88/643653188.db2.gz RKXAVPTZOYTDCF-CYBMUJFWSA-N 2 1 254.418 2.144 20 0 CEADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316299 643654428 /nfs/dbraw/zinc/65/44/28/643654428.db2.gz GYLOGWQGDFPBEG-DJIMGWMZSA-N 2 1 286.419 2.243 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](O)CCc1ccccc1 ZINC000923329896 643661068 /nfs/dbraw/zinc/66/10/68/643661068.db2.gz QYFXHBLENVWILU-FBVQUNGASA-N 2 1 288.435 2.324 20 0 CEADMP CC[NH+](CC)CC1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923320834 643662406 /nfs/dbraw/zinc/66/24/06/643662406.db2.gz GHPXDPFFLBZDBM-UHFFFAOYSA-N 2 1 267.461 2.182 20 0 CEADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCC[NH2+]C1CC1 ZINC000923327230 643665099 /nfs/dbraw/zinc/66/50/99/643665099.db2.gz QUOMLIFHKCXWQM-HZPDHXFCSA-N 2 1 265.445 2.077 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(F)cc3Cl)C[C@H]12 ZINC000923333721 643665514 /nfs/dbraw/zinc/66/55/14/643665514.db2.gz RREALFOQMJAEMS-OCCNTAHWSA-N 2 1 298.789 2.182 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3Cl)C[C@H]12 ZINC000923333721 643665519 /nfs/dbraw/zinc/66/55/19/643665519.db2.gz RREALFOQMJAEMS-OCCNTAHWSA-N 2 1 298.789 2.182 20 0 CEADMP C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923365053 643680657 /nfs/dbraw/zinc/68/06/57/643680657.db2.gz RSBPKBOROMPJDF-GUMUBFQMSA-N 3 1 291.483 2.371 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)c1ccc(Cl)cc1Cl ZINC000923376281 643686518 /nfs/dbraw/zinc/68/65/18/643686518.db2.gz KMJQZABGRORWGS-MNNHZPJKSA-N 2 1 289.206 2.495 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000923382637 643688140 /nfs/dbraw/zinc/68/81/40/643688140.db2.gz DRQLBPCPGGQKPW-LSDHHAIUSA-N 2 1 268.445 2.248 20 0 CEADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923394512 643694953 /nfs/dbraw/zinc/69/49/53/643694953.db2.gz BPHJATBVAUEAKA-QGZVFWFLSA-N 2 1 273.424 2.339 20 0 CEADMP C(C[N@H+]1CC[C@@]2(C1)CCCOC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923394768 643695771 /nfs/dbraw/zinc/69/57/71/643695771.db2.gz MEFQGUZVEGSKDF-NPYXIHBLSA-N 2 1 278.440 2.410 20 0 CEADMP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C[C@H]1C[NH3+] ZINC000923413235 643702175 /nfs/dbraw/zinc/70/21/75/643702175.db2.gz VCJTYAUOYAZRPG-RULNRJAQSA-N 2 1 286.778 2.039 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C[C@H]1C[NH3+] ZINC000923413235 643702179 /nfs/dbraw/zinc/70/21/79/643702179.db2.gz VCJTYAUOYAZRPG-RULNRJAQSA-N 2 1 286.778 2.039 20 0 CEADMP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923425099 643705334 /nfs/dbraw/zinc/70/53/34/643705334.db2.gz FFQZHUQMPOMMSW-VBQJREDUSA-N 2 1 284.403 2.299 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](CCc2cccc(F)c2)C[C@@H]1C(F)(F)F ZINC000923426763 643706399 /nfs/dbraw/zinc/70/63/99/643706399.db2.gz QKNCUPYJIOESHL-AAEUAGOBSA-N 2 1 290.304 2.437 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CCc2cccc(F)c2)C[C@@H]1C(F)(F)F ZINC000923426763 643706411 /nfs/dbraw/zinc/70/64/11/643706411.db2.gz QKNCUPYJIOESHL-AAEUAGOBSA-N 2 1 290.304 2.437 20 0 CEADMP CC(C)(C)OC[C@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923433059 643710367 /nfs/dbraw/zinc/71/03/67/643710367.db2.gz VNACZOAHTUKDBH-CQSZACIVSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1cc(C)c([C@@H](C)[N@H+]2CCNCC[NH2+]CC2)c(C)c1 ZINC000923460599 643723495 /nfs/dbraw/zinc/72/34/95/643723495.db2.gz HIGVMVAKVRPJIA-MRXNPFEDSA-N 2 1 275.440 2.168 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000923478673 643730600 /nfs/dbraw/zinc/73/06/00/643730600.db2.gz GCGMKKZZSVQXMI-QMTHXVAHSA-N 2 1 286.778 2.183 20 0 CEADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923486288 643734117 /nfs/dbraw/zinc/73/41/17/643734117.db2.gz DZBHCTOPENMJOQ-QWHCGFSZSA-N 2 1 286.379 2.468 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cncc(Br)c2)CC[C@H]1C[NH3+] ZINC000923495173 643734426 /nfs/dbraw/zinc/73/44/26/643734426.db2.gz UTGUUWJAVXEJFZ-PWSUYJOCSA-N 2 1 298.228 2.261 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cncc(Br)c2)CC[C@H]1C[NH3+] ZINC000923495173 643734429 /nfs/dbraw/zinc/73/44/29/643734429.db2.gz UTGUUWJAVXEJFZ-PWSUYJOCSA-N 2 1 298.228 2.261 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccn(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000923496539 643735332 /nfs/dbraw/zinc/73/53/32/643735332.db2.gz JKEJCFBAMNJKBS-HUUCEWRRSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ncccc2Cl)CC[C@@H]1C[NH3+] ZINC000923491082 643735943 /nfs/dbraw/zinc/73/59/43/643735943.db2.gz QQBNOKQSPOEKQL-WDEREUQCSA-N 2 1 253.777 2.152 20 0 CEADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923492104 643736231 /nfs/dbraw/zinc/73/62/31/643736231.db2.gz NKPLOYPVQKRXMG-VXGBXAGGSA-N 2 1 295.814 2.338 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC[C@@H]1C[NH3+] ZINC000923497815 643739261 /nfs/dbraw/zinc/73/92/61/643739261.db2.gz MKXLFQKIVUKXOC-VXGBXAGGSA-N 2 1 292.814 2.404 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)CC[C@H]1C[NH3+] ZINC000923497805 643739438 /nfs/dbraw/zinc/73/94/38/643739438.db2.gz FSVCKTASYLKKBH-PWSUYJOCSA-N 2 1 253.777 2.152 20 0 CEADMP Cc1ccc2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cn2c1 ZINC000923498916 643741051 /nfs/dbraw/zinc/74/10/51/643741051.db2.gz JBSZLLSVEQXRIN-KGLIPLIRSA-N 2 1 272.396 2.059 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498558 643741094 /nfs/dbraw/zinc/74/10/94/643741094.db2.gz OXXPBCYDQMCLJG-KGLIPLIRSA-N 2 1 270.417 2.027 20 0 CEADMP CCc1noc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)n1 ZINC000923503973 643742023 /nfs/dbraw/zinc/74/20/23/643742023.db2.gz RXXHSNIMIJQURB-CYBMUJFWSA-N 2 1 292.427 2.234 20 0 CEADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)n1 ZINC000923515634 643747018 /nfs/dbraw/zinc/74/70/18/643747018.db2.gz JCTNQEDMDGIDKN-LSDHHAIUSA-N 2 1 259.397 2.048 20 0 CEADMP FC(F)Oc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923519957 643748351 /nfs/dbraw/zinc/74/83/51/643748351.db2.gz XRUFNBSTVMICQU-QWHCGFSZSA-N 2 1 282.334 2.329 20 0 CEADMP C(=C/[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1)\c1ccccc1 ZINC000923525904 643750300 /nfs/dbraw/zinc/75/03/00/643750300.db2.gz KYRRYEKNSHBBPD-BLGFXRMMSA-N 2 1 285.435 2.069 20 0 CEADMP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[NH2+]C1 ZINC000923525953 643750589 /nfs/dbraw/zinc/75/05/89/643750589.db2.gz LTSFHQDJZLJUAM-ODWCKFRGSA-N 2 1 258.356 2.494 20 0 CEADMP CCOC(=O)CCCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533331 643754471 /nfs/dbraw/zinc/75/44/71/643754471.db2.gz KFLKSBYWXXJJQQ-MRXNPFEDSA-N 2 1 282.428 2.328 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533331 643754472 /nfs/dbraw/zinc/75/44/72/643754472.db2.gz KFLKSBYWXXJJQQ-MRXNPFEDSA-N 2 1 282.428 2.328 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000111597136 643900066 /nfs/dbraw/zinc/90/00/66/643900066.db2.gz IXMKWNVXEMVYGF-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000877738862 650881082 /nfs/dbraw/zinc/88/10/82/650881082.db2.gz DKOBYZCLIIKMBJ-XQLPTFJDSA-N 2 1 254.418 2.074 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)OC ZINC000877738862 650881090 /nfs/dbraw/zinc/88/10/90/650881090.db2.gz DKOBYZCLIIKMBJ-XQLPTFJDSA-N 2 1 254.418 2.074 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)OC ZINC000877738862 650881092 /nfs/dbraw/zinc/88/10/92/650881092.db2.gz DKOBYZCLIIKMBJ-XQLPTFJDSA-N 2 1 254.418 2.074 20 0 CEADMP Cn1cnc2cc(C[N@@H+]3CC[C@@H]4[C@H](CC[NH+]4C)C3)ccc21 ZINC000877740641 650884885 /nfs/dbraw/zinc/88/48/85/650884885.db2.gz KUYSLFWIFLTJSM-GDBMZVCRSA-N 2 1 284.407 2.099 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CC[C@@H]4[C@H](CC[NH+]4C)C3)ccc21 ZINC000877740641 650884890 /nfs/dbraw/zinc/88/48/90/650884890.db2.gz KUYSLFWIFLTJSM-GDBMZVCRSA-N 2 1 284.407 2.099 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)ccc21 ZINC000877740641 650884893 /nfs/dbraw/zinc/88/48/93/650884893.db2.gz KUYSLFWIFLTJSM-GDBMZVCRSA-N 2 1 284.407 2.099 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@@H]4[C@H](CC[N@H+]4C)C3)ccc21 ZINC000877740641 650884895 /nfs/dbraw/zinc/88/48/95/650884895.db2.gz KUYSLFWIFLTJSM-GDBMZVCRSA-N 2 1 284.407 2.099 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000838903792 644062777 /nfs/dbraw/zinc/06/27/77/644062777.db2.gz BZCOJZTXCGHRCE-UONOGXRCSA-N 2 1 282.428 2.182 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4ccccc4[nH]c3=O)CC[C@@H]21 ZINC000877744671 650890601 /nfs/dbraw/zinc/89/06/01/650890601.db2.gz WPGOTDWXNLPPLD-PBHICJAKSA-N 2 1 297.402 2.466 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4ccccc4[nH]c3=O)CC[C@@H]21 ZINC000877744671 650890605 /nfs/dbraw/zinc/89/06/05/650890605.db2.gz WPGOTDWXNLPPLD-PBHICJAKSA-N 2 1 297.402 2.466 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@@H]21 ZINC000877744671 650890609 /nfs/dbraw/zinc/89/06/09/650890609.db2.gz WPGOTDWXNLPPLD-PBHICJAKSA-N 2 1 297.402 2.466 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@@H]21 ZINC000877744671 650890612 /nfs/dbraw/zinc/89/06/12/650890612.db2.gz WPGOTDWXNLPPLD-PBHICJAKSA-N 2 1 297.402 2.466 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000838938272 644093807 /nfs/dbraw/zinc/09/38/07/644093807.db2.gz ASKZBVGUNUQSOQ-MHORFTMASA-N 2 1 286.419 2.243 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000838938272 644093809 /nfs/dbraw/zinc/09/38/09/644093809.db2.gz ASKZBVGUNUQSOQ-MHORFTMASA-N 2 1 286.419 2.243 20 0 CEADMP COCc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877744740 650891049 /nfs/dbraw/zinc/89/10/49/650891049.db2.gz XKRMRAKYGSSAHY-IAGOWNOFSA-N 2 1 274.408 2.359 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877744740 650891052 /nfs/dbraw/zinc/89/10/52/650891052.db2.gz XKRMRAKYGSSAHY-IAGOWNOFSA-N 2 1 274.408 2.359 20 0 CEADMP COCc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000877744740 650891054 /nfs/dbraw/zinc/89/10/54/650891054.db2.gz XKRMRAKYGSSAHY-IAGOWNOFSA-N 2 1 274.408 2.359 20 0 CEADMP COCc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877744740 650891057 /nfs/dbraw/zinc/89/10/57/650891057.db2.gz XKRMRAKYGSSAHY-IAGOWNOFSA-N 2 1 274.408 2.359 20 0 CEADMP COCc1cccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877744742 650891742 /nfs/dbraw/zinc/89/17/42/650891742.db2.gz XKRMRAKYGSSAHY-SJORKVTESA-N 2 1 274.408 2.359 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877744742 650891745 /nfs/dbraw/zinc/89/17/45/650891745.db2.gz XKRMRAKYGSSAHY-SJORKVTESA-N 2 1 274.408 2.359 20 0 CEADMP COCc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000877744742 650891751 /nfs/dbraw/zinc/89/17/51/650891751.db2.gz XKRMRAKYGSSAHY-SJORKVTESA-N 2 1 274.408 2.359 20 0 CEADMP COCc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877744742 650891753 /nfs/dbraw/zinc/89/17/53/650891753.db2.gz XKRMRAKYGSSAHY-SJORKVTESA-N 2 1 274.408 2.359 20 0 CEADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H](O)c1ccccc1 ZINC000838989486 644112474 /nfs/dbraw/zinc/11/24/74/644112474.db2.gz SAJVQZVOOCJTOR-IAGOWNOFSA-N 2 1 287.407 2.310 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cn(-c3ccccc3)nn2)C1 ZINC000839182891 644182037 /nfs/dbraw/zinc/18/20/37/644182037.db2.gz RBRNQFYPWNMUEV-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2C[C@H]2C)cn1 ZINC000754131304 644328544 /nfs/dbraw/zinc/32/85/44/644328544.db2.gz VHZIRMBTHMWBNH-RISCZKNCSA-N 2 1 256.353 2.321 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857854314 644982315 /nfs/dbraw/zinc/98/23/15/644982315.db2.gz ZQJATJLWKWNSLM-FZMZJTMJSA-N 2 1 273.384 2.218 20 0 CEADMP c1[nH]nc2c1CCC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000857866388 644988875 /nfs/dbraw/zinc/98/88/75/644988875.db2.gz VVJGSWQHVYQQBG-OAHLLOKOSA-N 2 1 274.412 2.251 20 0 CEADMP COc1ccccc1[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858105268 645062155 /nfs/dbraw/zinc/06/21/55/645062155.db2.gz LAGQEQXRVAERFD-HIFRSBDPSA-N 2 1 292.423 2.191 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000858144613 645074449 /nfs/dbraw/zinc/07/44/49/645074449.db2.gz RYRCJOFKAQZWHR-CHWSQXEVSA-N 2 1 266.385 2.084 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)o1 ZINC000858144613 645074451 /nfs/dbraw/zinc/07/44/51/645074451.db2.gz RYRCJOFKAQZWHR-CHWSQXEVSA-N 2 1 266.385 2.084 20 0 CEADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccn1 ZINC000858196195 645086026 /nfs/dbraw/zinc/08/60/26/645086026.db2.gz JHOSUKWJCIXTSJ-OAHLLOKOSA-N 2 1 277.387 2.432 20 0 CEADMP Fc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccn1 ZINC000858196195 645086031 /nfs/dbraw/zinc/08/60/31/645086031.db2.gz JHOSUKWJCIXTSJ-OAHLLOKOSA-N 2 1 277.387 2.432 20 0 CEADMP CC(C)[C@H](O)CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000878034203 650979713 /nfs/dbraw/zinc/97/97/13/650979713.db2.gz KQITYKOCEFNWLF-OAHLLOKOSA-N 2 1 256.434 2.198 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cc[nH+]c(CO)c2)C1 ZINC000858353009 645129117 /nfs/dbraw/zinc/12/91/17/645129117.db2.gz HHMXMCBFPZBKGE-VBQJREDUSA-N 2 1 289.423 2.416 20 0 CEADMP C[N@@H+]1Cc2ccccc2[C@@H](Nc2cc[nH+]c(CO)c2)C1 ZINC000858459291 645167715 /nfs/dbraw/zinc/16/77/15/645167715.db2.gz UZANNLUNROKUFR-INIZCTEOSA-N 2 1 269.348 2.173 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000858490064 645179568 /nfs/dbraw/zinc/17/95/68/645179568.db2.gz AEUDTZMKKHSWJJ-GJZGRUSLSA-N 2 1 266.429 2.267 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000878121515 651005729 /nfs/dbraw/zinc/00/57/29/651005729.db2.gz SKEICMDAQGZURN-HRCADAONSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)[C@H](O)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000878156847 651016537 /nfs/dbraw/zinc/01/65/37/651016537.db2.gz QILKTVJDCDAHAD-JKSUJKDBSA-N 2 1 268.445 2.057 20 0 CEADMP CC(C)[C@H](O)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000878156847 651016542 /nfs/dbraw/zinc/01/65/42/651016542.db2.gz QILKTVJDCDAHAD-JKSUJKDBSA-N 2 1 268.445 2.057 20 0 CEADMP CC(C)[C@H](O)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000878156847 651016545 /nfs/dbraw/zinc/01/65/45/651016545.db2.gz QILKTVJDCDAHAD-JKSUJKDBSA-N 2 1 268.445 2.057 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H](O)C(C)C)C[C@H]1C ZINC000878163538 651019548 /nfs/dbraw/zinc/01/95/48/651019548.db2.gz SVYQCUUYYXFWNE-ILXRZTDVSA-N 2 1 256.434 2.198 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H](O)C(C)C)C[C@H]1C ZINC000878163538 651019549 /nfs/dbraw/zinc/01/95/49/651019549.db2.gz SVYQCUUYYXFWNE-ILXRZTDVSA-N 2 1 256.434 2.198 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000878166961 651023019 /nfs/dbraw/zinc/02/30/19/651023019.db2.gz KOJMDUDUTKUCLP-LSDHHAIUSA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000878166961 651023023 /nfs/dbraw/zinc/02/30/23/651023023.db2.gz KOJMDUDUTKUCLP-LSDHHAIUSA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000878166961 651023025 /nfs/dbraw/zinc/02/30/25/651023025.db2.gz KOJMDUDUTKUCLP-LSDHHAIUSA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)CC(C)(C)C ZINC000878193527 651032524 /nfs/dbraw/zinc/03/25/24/651032524.db2.gz GCOKINKCDVIPSM-UHFFFAOYSA-N 2 1 297.487 2.201 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[S@](C)=O)cc1 ZINC000766049973 645840927 /nfs/dbraw/zinc/84/09/27/645840927.db2.gz NRHHLTMINXERPV-ODXCJYRJSA-N 2 1 291.420 2.210 20 0 CEADMP Cc1cc(C)cc(C[N@H+](C)C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000769845925 646324799 /nfs/dbraw/zinc/32/47/99/646324799.db2.gz KBFSHYHTOLVVIV-QGZVFWFLSA-N 2 1 276.424 2.192 20 0 CEADMP Cc1cc(C)cc(C[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000769845925 646324801 /nfs/dbraw/zinc/32/48/01/646324801.db2.gz KBFSHYHTOLVVIV-QGZVFWFLSA-N 2 1 276.424 2.192 20 0 CEADMP c1ccc(N2CCCCC2)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000770394081 646386888 /nfs/dbraw/zinc/38/68/88/646386888.db2.gz FAUGNCOIADHQPD-CALCHBBNSA-N 2 1 285.435 2.328 20 0 CEADMP c1ccc(N2CCCCC2)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000770394081 646386892 /nfs/dbraw/zinc/38/68/92/646386892.db2.gz FAUGNCOIADHQPD-CALCHBBNSA-N 2 1 285.435 2.328 20 0 CEADMP Cc1c(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)ccnc1F ZINC000862273014 646388805 /nfs/dbraw/zinc/38/88/05/646388805.db2.gz XFWNVQPPHZYDOB-GFCCVEGCSA-N 2 1 265.376 2.351 20 0 CEADMP CC[C@@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000119332831 646675325 /nfs/dbraw/zinc/67/53/25/646675325.db2.gz MWSHAKMPDDDLBI-OAHLLOKOSA-N 2 1 293.455 2.010 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccc(F)cc2F)CC[N@H+]1C ZINC000772986196 646692628 /nfs/dbraw/zinc/69/26/28/646692628.db2.gz BMSJUDDXAUZVCC-AXAPSJFSSA-N 2 1 298.377 2.245 20 0 CEADMP ClC(Cl)=CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863577113 646761295 /nfs/dbraw/zinc/76/12/95/646761295.db2.gz YAXLLLVGUCAJNF-GFCCVEGCSA-N 2 1 293.238 2.396 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCC[C@@H]1C ZINC000774124794 646806557 /nfs/dbraw/zinc/80/65/57/646806557.db2.gz XSFUTMSNJYPQPI-ZSNVMCELSA-N 2 1 279.472 2.464 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+]1CCCC[C@@H]1C ZINC000774124794 646806562 /nfs/dbraw/zinc/80/65/62/646806562.db2.gz XSFUTMSNJYPQPI-ZSNVMCELSA-N 2 1 279.472 2.464 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+]1CCCC[C@@H]1C ZINC000774124794 646806571 /nfs/dbraw/zinc/80/65/71/646806571.db2.gz XSFUTMSNJYPQPI-ZSNVMCELSA-N 2 1 279.472 2.464 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)ncn3C)[C@H](C)C1 ZINC000774816507 646899255 /nfs/dbraw/zinc/89/92/55/646899255.db2.gz PQIYSDNREYRUEM-UKRRQHHQSA-N 2 1 286.423 2.393 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)CCO)C1 ZINC000779339663 647313714 /nfs/dbraw/zinc/31/37/14/647313714.db2.gz FCBGFGMTBYGXPF-UONOGXRCSA-N 2 1 256.434 2.248 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)CCO)C1 ZINC000779339663 647313717 /nfs/dbraw/zinc/31/37/17/647313717.db2.gz FCBGFGMTBYGXPF-UONOGXRCSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000779406179 647320190 /nfs/dbraw/zinc/32/01/90/647320190.db2.gz UYFVCMBGNRYYJM-VNHYZAJKSA-N 2 1 282.453 2.492 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000779406179 647320194 /nfs/dbraw/zinc/32/01/94/647320194.db2.gz UYFVCMBGNRYYJM-VNHYZAJKSA-N 2 1 282.453 2.492 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](Nc3cc(C)[nH+]c(N)n3)C2)cc1 ZINC000866115776 647616476 /nfs/dbraw/zinc/61/64/76/647616476.db2.gz CMJXUKHPIWPVBT-HNNXBMFYSA-N 2 1 297.406 2.362 20 0 CEADMP CCOCOc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000782951747 647665258 /nfs/dbraw/zinc/66/52/58/647665258.db2.gz FLCLCXLXSXEOEO-CQSZACIVSA-N 2 1 280.412 2.489 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C)CCc2cccnc2)CC1 ZINC000866242673 647690099 /nfs/dbraw/zinc/69/00/99/647690099.db2.gz QLIFXRUOMKLEOS-HNNXBMFYSA-N 2 1 291.439 2.103 20 0 CEADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000783247696 647701200 /nfs/dbraw/zinc/70/12/00/647701200.db2.gz IYNXSUSWDUVGMI-IAQYHMDHSA-N 2 1 274.412 2.450 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784574778 647864430 /nfs/dbraw/zinc/86/44/30/647864430.db2.gz JNWMHPVUUBGWKN-JKSUJKDBSA-N 2 1 296.455 2.336 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784574778 647864432 /nfs/dbraw/zinc/86/44/32/647864432.db2.gz JNWMHPVUUBGWKN-JKSUJKDBSA-N 2 1 296.455 2.336 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784574778 647864434 /nfs/dbraw/zinc/86/44/34/647864434.db2.gz JNWMHPVUUBGWKN-JKSUJKDBSA-N 2 1 296.455 2.336 20 0 CEADMP C(C[N@H+]1CCC[C@H](OC2CCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000866697382 647872622 /nfs/dbraw/zinc/87/26/22/647872622.db2.gz OAXHXAXQGIIVQR-ZBFHGGJFSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703877 647875529 /nfs/dbraw/zinc/87/55/29/647875529.db2.gz PSDRTTCJPMDAEE-PBHICJAKSA-N 2 1 295.471 2.084 20 0 CEADMP COc1ccc([C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1 ZINC000866705041 647876792 /nfs/dbraw/zinc/87/67/92/647876792.db2.gz ZMEBOAZLVLAHKQ-RHSMWYFYSA-N 2 1 290.407 2.068 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)nc(C)n1 ZINC000866706572 647878283 /nfs/dbraw/zinc/87/82/83/647878283.db2.gz IQXCMKXKFHWPJD-INIZCTEOSA-N 2 1 276.428 2.290 20 0 CEADMP Fc1cccc2c1C[N@@H+](CC[C@H]1CC[NH2+]C1)CCO2 ZINC000866727949 647885310 /nfs/dbraw/zinc/88/53/10/647885310.db2.gz VFQHTXPQKGDJOL-GFCCVEGCSA-N 2 1 264.344 2.020 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(C)nn1C ZINC000793513553 648767927 /nfs/dbraw/zinc/76/79/27/648767927.db2.gz CSQSMMOLEDFNGK-CYBMUJFWSA-N 2 1 252.406 2.111 20 0 CEADMP CC1(C)CC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000793544634 648774096 /nfs/dbraw/zinc/77/40/96/648774096.db2.gz YUYSVDWBTHRIGI-CABCVRRESA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870867602 648937733 /nfs/dbraw/zinc/93/77/33/648937733.db2.gz SHSGFNHBZAYGRZ-HRCADAONSA-N 2 1 295.471 2.275 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@H]1CCCOC1 ZINC000872025996 649244844 /nfs/dbraw/zinc/24/48/44/649244844.db2.gz XOEZMPCNHXQLDW-KKUMJFAQSA-N 2 1 254.418 2.121 20 0 CEADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCOC1 ZINC000872053915 649256856 /nfs/dbraw/zinc/25/68/56/649256856.db2.gz NRQOIYHQYRHKGB-CABCVRRESA-N 2 1 252.402 2.043 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000872125711 649285148 /nfs/dbraw/zinc/28/51/48/649285148.db2.gz BRJDYYYCEGYKDY-DKIMLUQUSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000872125711 649285149 /nfs/dbraw/zinc/28/51/49/649285149.db2.gz BRJDYYYCEGYKDY-DKIMLUQUSA-N 2 1 288.435 2.400 20 0 CEADMP CC1(C)CO[C@@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000872142106 649291153 /nfs/dbraw/zinc/29/11/53/649291153.db2.gz KXPDQTNEXIWJBT-CQSZACIVSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000872144843 649294472 /nfs/dbraw/zinc/29/44/72/649294472.db2.gz KFHVUTRZPORFKH-YHUYYLMFSA-N 2 1 296.455 2.020 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CC(C)(C)CO1)CC[NH2+]CC2 ZINC000872144519 649294530 /nfs/dbraw/zinc/29/45/30/649294530.db2.gz HATLJODQWOBTBK-KGLIPLIRSA-N 2 1 266.429 2.266 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1C ZINC000872144810 649295005 /nfs/dbraw/zinc/29/50/05/649295005.db2.gz JASSJHYKTNVUFQ-JSGCOSHPSA-N 2 1 276.380 2.093 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1C ZINC000872144810 649295008 /nfs/dbraw/zinc/29/50/08/649295008.db2.gz JASSJHYKTNVUFQ-JSGCOSHPSA-N 2 1 276.380 2.093 20 0 CEADMP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872155557 649299176 /nfs/dbraw/zinc/29/91/76/649299176.db2.gz QAZDBGPWBVTELW-HOTGVXAUSA-N 2 1 297.487 2.474 20 0 CEADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157048 649299437 /nfs/dbraw/zinc/29/94/37/649299437.db2.gz NFLVANBGPCAWLU-FMKPAKJESA-N 2 1 295.471 2.083 20 0 CEADMP COCCOCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158914 649300104 /nfs/dbraw/zinc/30/01/04/649300104.db2.gz ZGSDQIWJKCOXFH-NVXWUHKLSA-N 2 1 298.471 2.269 20 0 CEADMP CN(C)C(=O)CC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158652 649300485 /nfs/dbraw/zinc/30/04/85/649300485.db2.gz WRIXPKDVRDYVOI-ZBFHGGJFSA-N 2 1 295.471 2.084 20 0 CEADMP C[N@@H+](CCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000872277951 649340666 /nfs/dbraw/zinc/34/06/66/649340666.db2.gz BOUQVBLFKCCEHD-CVEARBPZSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]cc1C1CC1 ZINC000872544081 649416493 /nfs/dbraw/zinc/41/64/93/649416493.db2.gz CENREDMRIAXLKC-HIFRSBDPSA-N 2 1 287.407 2.258 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206955 649589013 /nfs/dbraw/zinc/58/90/13/649589013.db2.gz GVDWRZVRRQQSFK-ZDUSSCGKSA-N 2 1 293.480 2.167 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206955 649589016 /nfs/dbraw/zinc/58/90/16/649589016.db2.gz GVDWRZVRRQQSFK-ZDUSSCGKSA-N 3 1 293.480 2.167 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206955 649589018 /nfs/dbraw/zinc/58/90/18/649589018.db2.gz GVDWRZVRRQQSFK-ZDUSSCGKSA-N 3 1 293.480 2.167 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206955 649589020 /nfs/dbraw/zinc/58/90/20/649589020.db2.gz GVDWRZVRRQQSFK-ZDUSSCGKSA-N 3 1 293.480 2.167 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206955 649589023 /nfs/dbraw/zinc/58/90/23/649589023.db2.gz GVDWRZVRRQQSFK-ZDUSSCGKSA-N 3 1 293.480 2.167 20 0 CEADMP CC(C)C[N@H+](Cc1ccc(N)nc1)CC1CC[NH+](C)CC1 ZINC000873224024 649597547 /nfs/dbraw/zinc/59/75/47/649597547.db2.gz WQTSFADJTLGNTN-UHFFFAOYSA-N 2 1 290.455 2.464 20 0 CEADMP COc1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1C ZINC000873229211 649600246 /nfs/dbraw/zinc/60/02/46/649600246.db2.gz PFYFRDXYQULNQB-GOEBONIOSA-N 2 1 260.381 2.045 20 0 CEADMP COc1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1C ZINC000873229211 649600248 /nfs/dbraw/zinc/60/02/48/649600248.db2.gz PFYFRDXYQULNQB-GOEBONIOSA-N 2 1 260.381 2.045 20 0 CEADMP Cc1c[nH]nc1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873231484 649602881 /nfs/dbraw/zinc/60/28/81/649602881.db2.gz OGTSIXITELQQMP-AWEZNQCLSA-N 2 1 262.401 2.120 20 0 CEADMP CN(CCCCCC[NH3+])Cc1ncc(C[NH+](C)C)s1 ZINC000873231902 649603115 /nfs/dbraw/zinc/60/31/15/649603115.db2.gz YGESNVREVLFMBY-UHFFFAOYSA-N 2 1 284.473 2.156 20 0 CEADMP Cc1[nH]ncc1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232634 649603452 /nfs/dbraw/zinc/60/34/52/649603452.db2.gz JUVJEUXAKXMOEX-AWEZNQCLSA-N 2 1 262.401 2.120 20 0 CEADMP CC1(C)CC[C@H](C[NH2+]C2CCC3(CC2)OCCO3)[NH2+]C1 ZINC000873237094 649604916 /nfs/dbraw/zinc/60/49/16/649604916.db2.gz MJPRBTXRZLCJGA-CQSZACIVSA-N 2 1 282.428 2.040 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873259213 649613919 /nfs/dbraw/zinc/61/39/19/649613919.db2.gz ZWTRDPLNUNLCQI-VDHUWJSZSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873259213 649613924 /nfs/dbraw/zinc/61/39/24/649613924.db2.gz ZWTRDPLNUNLCQI-VDHUWJSZSA-N 3 1 287.451 2.224 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc2c([nH]c1=O)CCCC2 ZINC000873276571 649622000 /nfs/dbraw/zinc/62/20/00/649622000.db2.gz QFYGFFSANBGPIN-ZBFHGGJFSA-N 2 1 289.423 2.416 20 0 CEADMP C(CC1CCCCC1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000125114735 649799118 /nfs/dbraw/zinc/79/91/18/649799118.db2.gz ABRKROSHPCTDMR-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP C(CC1CCCCC1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000125114735 649799120 /nfs/dbraw/zinc/79/91/20/649799120.db2.gz ABRKROSHPCTDMR-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CCCC(C)(C)O2)CC1 ZINC000878667943 651159267 /nfs/dbraw/zinc/15/92/67/651159267.db2.gz GGGCLUGSLBIYDU-OAHLLOKOSA-N 2 1 298.471 2.159 20 0 CEADMP CC[C@](C)([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000879127652 651247368 /nfs/dbraw/zinc/24/73/68/651247368.db2.gz APLHDZHWXUQYMJ-SJORKVTESA-N 2 1 294.414 2.497 20 0 CEADMP Clc1ccc2c(c1)CC[C@@H]2[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000127786210 651308907 /nfs/dbraw/zinc/30/89/07/651308907.db2.gz QCSBXVWJCMHGJD-ZOWXZIJZSA-N 2 1 262.784 2.479 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879565033 651322886 /nfs/dbraw/zinc/32/28/86/651322886.db2.gz KHBSQXPHLKBVFE-STQMWFEESA-N 2 1 265.426 2.038 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879565033 651322887 /nfs/dbraw/zinc/32/28/87/651322887.db2.gz KHBSQXPHLKBVFE-STQMWFEESA-N 2 1 265.426 2.038 20 0 CEADMP COc1ccc(CC[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879570109 651323514 /nfs/dbraw/zinc/32/35/14/651323514.db2.gz AAHBDKYJKAXOJH-WBVHZDCISA-N 2 1 274.408 2.264 20 0 CEADMP COc1ccc(CC[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000879570109 651323515 /nfs/dbraw/zinc/32/35/15/651323515.db2.gz AAHBDKYJKAXOJH-WBVHZDCISA-N 2 1 274.408 2.264 20 0 CEADMP COc1ccc(CC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000879570109 651323516 /nfs/dbraw/zinc/32/35/16/651323516.db2.gz AAHBDKYJKAXOJH-WBVHZDCISA-N 2 1 274.408 2.264 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000879579584 651325978 /nfs/dbraw/zinc/32/59/78/651325978.db2.gz ADHPXMMIDNRKTF-NUEKZKHPSA-N 2 1 294.826 2.399 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000879579584 651325979 /nfs/dbraw/zinc/32/59/79/651325979.db2.gz ADHPXMMIDNRKTF-NUEKZKHPSA-N 2 1 294.826 2.399 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000879579584 651325980 /nfs/dbraw/zinc/32/59/80/651325980.db2.gz ADHPXMMIDNRKTF-NUEKZKHPSA-N 2 1 294.826 2.399 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000879579584 651325981 /nfs/dbraw/zinc/32/59/81/651325981.db2.gz ADHPXMMIDNRKTF-NUEKZKHPSA-N 2 1 294.826 2.399 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671910 651338059 /nfs/dbraw/zinc/33/80/59/651338059.db2.gz MJSAZGJQOHBGRJ-JHJVBQTASA-N 2 1 294.361 2.174 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671910 651338060 /nfs/dbraw/zinc/33/80/60/651338060.db2.gz MJSAZGJQOHBGRJ-JHJVBQTASA-N 2 1 294.361 2.174 20 0 CEADMP COC[C@H](C)[N@H+]1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000880020930 651375765 /nfs/dbraw/zinc/37/57/65/651375765.db2.gz TVOFNNVOARZHOM-RYQLBKOJSA-N 2 1 288.435 2.475 20 0 CEADMP COC[C@H](C)[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020930 651375766 /nfs/dbraw/zinc/37/57/66/651375766.db2.gz TVOFNNVOARZHOM-RYQLBKOJSA-N 2 1 288.435 2.475 20 0 CEADMP COC[C@H](C)[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020930 651375768 /nfs/dbraw/zinc/37/57/68/651375768.db2.gz TVOFNNVOARZHOM-RYQLBKOJSA-N 2 1 288.435 2.475 20 0 CEADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H](COC)OC)CC1 ZINC000880254850 651410705 /nfs/dbraw/zinc/41/07/05/651410705.db2.gz PSLSLOUQMVPDLQ-INIZCTEOSA-N 2 1 298.471 2.378 20 0 CEADMP CO[C@@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C1CCC1 ZINC000880259073 651411836 /nfs/dbraw/zinc/41/18/36/651411836.db2.gz MFXOALFNPSORJL-YOEHRIQHSA-N 2 1 289.423 2.407 20 0 CEADMP C[C@H]1C[N@@H+](CCCCCCO)CCN1c1cc[nH+]cc1 ZINC000880263658 651412542 /nfs/dbraw/zinc/41/25/42/651412542.db2.gz ZPKDXAVUAMYYNQ-HNNXBMFYSA-N 2 1 277.412 2.145 20 0 CEADMP COC(=O)C(C)(C)C[N@@H+](CCCn1ccnc1)CC(C)C ZINC000880382986 651433932 /nfs/dbraw/zinc/43/39/32/651433932.db2.gz QYWFRFUEHSCEMW-UHFFFAOYSA-N 2 1 295.427 2.430 20 0 CEADMP CCn1cc(CC[NH+]2CCC(C)([NH+]3CCC3)CC2)cn1 ZINC000880474564 651447125 /nfs/dbraw/zinc/44/71/25/651447125.db2.gz ZXXFPIFSVAZHGQ-UHFFFAOYSA-N 2 1 276.428 2.006 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880515911 651454164 /nfs/dbraw/zinc/45/41/64/651454164.db2.gz YVXVQCUYMMISDU-ZNMIVQPWSA-N 2 1 252.402 2.162 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc3c2CCOC3)CC1 ZINC000883083828 652358844 /nfs/dbraw/zinc/35/88/44/652358844.db2.gz ZWOKHGVSPKLQIA-UHFFFAOYSA-N 2 1 272.392 2.111 20 0 CEADMP C[C@@H](C[NH2+]Cc1cccc(Cl)c1N)C[NH+](C)C ZINC000883127209 652370598 /nfs/dbraw/zinc/37/05/98/652370598.db2.gz PBYRQWWJAWQITF-JTQLQIEISA-N 2 1 255.793 2.210 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883417394 652461932 /nfs/dbraw/zinc/46/19/32/652461932.db2.gz YUNAKUYXEUZGAS-IMJJTQAJSA-N 2 1 260.381 2.187 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000883429118 652466592 /nfs/dbraw/zinc/46/65/92/652466592.db2.gz MCUKSBIOAKFASU-ZIAGYGMSSA-N 2 1 263.385 2.113 20 0 CEADMP CC1(C)CCC[C@@H](C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)O1 ZINC000883430159 652467142 /nfs/dbraw/zinc/46/71/42/652467142.db2.gz ODCMYXOFUIEQSJ-HOCLYGCPSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)[C@@H]1CC[NH3+] ZINC000883435061 652468930 /nfs/dbraw/zinc/46/89/30/652468930.db2.gz JQEVDWSSDSEBJH-BZUAXINKSA-N 2 1 296.455 2.164 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](CF)C2)cc1 ZINC000883447056 652472727 /nfs/dbraw/zinc/47/27/27/652472727.db2.gz RQBYXMRRPGGCPV-DZGCQCFKSA-N 2 1 280.387 2.419 20 0 CEADMP CCCNc1cc(NCC(C)(C)[NH+](C)C)nc[nH+]1 ZINC000131861068 652474487 /nfs/dbraw/zinc/47/44/87/652474487.db2.gz FZJNFCLKAARJOX-UHFFFAOYSA-N 2 1 251.378 2.051 20 0 CEADMP Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@H]2CC[NH2+]C2)cn1 ZINC000883462366 652478091 /nfs/dbraw/zinc/47/80/91/652478091.db2.gz PKUHWNLNSMJRKE-ZBSSRIJBSA-N 2 1 288.439 2.130 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000884189728 652747206 /nfs/dbraw/zinc/74/72/06/652747206.db2.gz LSPZURKLYAREAB-HNNXBMFYSA-N 2 1 297.487 2.377 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[C@H]([NH3+])C(C)C)C1 ZINC000884229362 652759639 /nfs/dbraw/zinc/75/96/39/652759639.db2.gz OXFVFLYZBAWKMO-LSDHHAIUSA-N 2 1 297.487 2.186 20 0 CEADMP C[C@H]1CN(c2cc[nH+]cc2)CCN1c1[nH+]cnc2[nH]ccc21 ZINC000884855769 652974950 /nfs/dbraw/zinc/97/49/50/652974950.db2.gz PZKQPNTYHXVUPP-LBPRGKRZSA-N 2 1 294.362 2.068 20 0 CEADMP C[N@@H+]([C@@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995361 805598472 /nfs/dbraw/zinc/59/84/72/805598472.db2.gz CHUMZEJIBKNOTA-IUOOZAAYSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]([C@@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995361 805598477 /nfs/dbraw/zinc/59/84/77/805598477.db2.gz CHUMZEJIBKNOTA-IUOOZAAYSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]([C@@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995361 805598482 /nfs/dbraw/zinc/59/84/82/805598482.db2.gz CHUMZEJIBKNOTA-IUOOZAAYSA-N 2 1 264.413 2.113 20 0 CEADMP COC[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000300119799 805803752 /nfs/dbraw/zinc/80/37/52/805803752.db2.gz BMNCTTPOGRRXMY-PNRVRQOCSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1CC ZINC001087829231 805806332 /nfs/dbraw/zinc/80/63/32/805806332.db2.gz QZDSIMBVHHRQHN-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1CC ZINC001087829231 805806342 /nfs/dbraw/zinc/80/63/42/805806342.db2.gz QZDSIMBVHHRQHN-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168029473 805819279 /nfs/dbraw/zinc/81/92/79/805819279.db2.gz FYERAWRHBOVGKX-JKSUJKDBSA-N 2 1 295.471 2.145 20 0 CEADMP CCCCC[N@@H+](C)CCC(=O)N1CCCC2(C[NH+](C)C2)C1 ZINC001271863356 806122451 /nfs/dbraw/zinc/12/24/51/806122451.db2.gz ICDILNSBZOCOEE-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC001173171237 815622127 /nfs/dbraw/zinc/62/21/27/815622127.db2.gz IWIPRSDSQMWGHN-LXTVHRRPSA-N 2 1 254.418 2.262 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC001168103336 806167154 /nfs/dbraw/zinc/16/71/54/806167154.db2.gz IWIPRSDSQMWGHN-GBJTYRQASA-N 2 1 254.418 2.262 20 0 CEADMP CC(C)[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001088382381 806175285 /nfs/dbraw/zinc/17/52/85/806175285.db2.gz ZUZCGGIGYMSABK-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[C@H]([NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)CCO1 ZINC001168131235 806255803 /nfs/dbraw/zinc/25/58/03/806255803.db2.gz MHMACULFBQYPOP-WMLDXEAASA-N 2 1 296.455 2.129 20 0 CEADMP CC[N@@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001030014641 806350824 /nfs/dbraw/zinc/35/08/24/806350824.db2.gz GFIUXGRZGQQOJB-GASCZTMLSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001030014641 806350835 /nfs/dbraw/zinc/35/08/35/806350835.db2.gz GFIUXGRZGQQOJB-GASCZTMLSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001030014641 806350839 /nfs/dbraw/zinc/35/08/39/806350839.db2.gz GFIUXGRZGQQOJB-GASCZTMLSA-N 2 1 295.471 2.050 20 0 CEADMP CCOC(=O)[C@H](CC(C)C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168294929 806631920 /nfs/dbraw/zinc/63/19/20/806631920.db2.gz HZDOFUMTORUGEK-NRXISQOPSA-N 2 1 284.444 2.427 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@](F)(CO)CC2)CC1 ZINC001168315058 806648807 /nfs/dbraw/zinc/64/88/07/806648807.db2.gz QKLURFAKNZXOLI-NRXISQOPSA-N 2 1 272.408 2.046 20 0 CEADMP COC(=O)[C@H]1CC[C@@H](C)[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168324685 806653217 /nfs/dbraw/zinc/65/32/17/806653217.db2.gz VEWSHWHKHKHDPA-DNDYEEKYSA-N 2 1 282.428 2.133 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC(=O)C(C)(C)C2)CC1 ZINC001168326717 806656063 /nfs/dbraw/zinc/65/60/63/806656063.db2.gz DWBHKIBIIUYQRL-UHFFFAOYSA-N 2 1 252.402 2.160 20 0 CEADMP Cc1cn2c(C[NH2+]CC[C@@H](C)[NH+](C)C)c(C)nc2s1 ZINC000697921523 806761188 /nfs/dbraw/zinc/76/11/88/806761188.db2.gz WBKAFLPKXUOKLI-SNVBAGLBSA-N 2 1 280.441 2.442 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000348329726 806961064 /nfs/dbraw/zinc/96/10/64/806961064.db2.gz RGBAUYGVBVRAGC-AESZEHBQSA-N 2 1 276.424 2.398 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000348329726 806961069 /nfs/dbraw/zinc/96/10/69/806961069.db2.gz RGBAUYGVBVRAGC-AESZEHBQSA-N 2 1 276.424 2.398 20 0 CEADMP C[N@H+]1CCC[C@H](CN2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001208613990 802391158 /nfs/dbraw/zinc/39/11/58/802391158.db2.gz BSVWWFOPJUKOQZ-INIZCTEOSA-N 2 1 279.472 2.279 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)CCCC(C)(C)OC(C)=O ZINC001209157347 802477014 /nfs/dbraw/zinc/47/70/14/802477014.db2.gz IWBVOWLKQODHGR-UHFFFAOYSA-N 2 1 272.433 2.382 20 0 CEADMP C[C@@H]1CC[C@H](N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[NH2+]1 ZINC000705663015 802506133 /nfs/dbraw/zinc/50/61/33/802506133.db2.gz QLVJKWXLJPKSQV-YSHGAJCASA-N 2 1 299.462 2.191 20 0 CEADMP C[N@H+]1CC[C@H](Nc2ccc([C@@H]3CCC[NH2+]C3)cc2)C1 ZINC001167284646 802636211 /nfs/dbraw/zinc/63/62/11/802636211.db2.gz JHQMNJNSTRRLPT-ZBFHGGJFSA-N 2 1 259.397 2.270 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[NH2+][C@H](C)CC2)c(C)c1 ZINC001210495744 802691842 /nfs/dbraw/zinc/69/18/42/802691842.db2.gz BICSIDZYHJJBFN-CQSZACIVSA-N 2 1 262.397 2.496 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[NH2+][C@H](C)CC2)c(C)c1 ZINC001210495744 802691846 /nfs/dbraw/zinc/69/18/46/802691846.db2.gz BICSIDZYHJJBFN-CQSZACIVSA-N 2 1 262.397 2.496 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCC(C)(C)C ZINC001127066496 807002786 /nfs/dbraw/zinc/00/27/86/807002786.db2.gz PNTMZQIAGJCYGI-HNNXBMFYSA-N 2 1 297.487 2.391 20 0 CEADMP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001266693450 802846364 /nfs/dbraw/zinc/84/63/64/802846364.db2.gz ZQZYLVQCVAHTTB-XHSDSOJGSA-N 2 1 293.455 2.064 20 0 CEADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001039394405 802870116 /nfs/dbraw/zinc/87/01/16/802870116.db2.gz YTWWTAYRWJSVOU-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(C3CC3)c[nH+]2)O1 ZINC001170281472 812380719 /nfs/dbraw/zinc/38/07/19/812380719.db2.gz FMXGFUCWIAGRSH-FMKPAKJESA-N 2 1 291.395 2.096 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1CC[NH3+] ZINC000723883305 802964122 /nfs/dbraw/zinc/96/41/22/802964122.db2.gz OEXWRJVUCYFQMI-ZYHUDNBSSA-N 2 1 254.324 2.382 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000690740628 803161286 /nfs/dbraw/zinc/16/12/86/803161286.db2.gz MURUCZMKJDYVPJ-ZDUSSCGKSA-N 2 1 250.411 2.449 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)CC2CCCC2)[C@@H]1CC[NH3+] ZINC000404285964 803240014 /nfs/dbraw/zinc/24/00/14/803240014.db2.gz HVADJHFNXWFVSX-VNQPRFMTSA-N 2 1 268.445 2.377 20 0 CEADMP CCC[N@H+](CC=C(C)C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001267317712 803362722 /nfs/dbraw/zinc/36/27/22/803362722.db2.gz JOAMGDNCXDHHKS-MRXNPFEDSA-N 2 1 295.471 2.123 20 0 CEADMP CCC[NH+](CC=C(C)C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001267317712 803362727 /nfs/dbraw/zinc/36/27/27/803362727.db2.gz JOAMGDNCXDHHKS-MRXNPFEDSA-N 2 1 295.471 2.123 20 0 CEADMP CCC[NH+](CC=C(C)C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001267317712 803362733 /nfs/dbraw/zinc/36/27/33/803362733.db2.gz JOAMGDNCXDHHKS-MRXNPFEDSA-N 2 1 295.471 2.123 20 0 CEADMP Cc1cccc(O[C@@H]2CC[N@H+](CC3CC[NH+](C)CC3)C2)n1 ZINC001207400266 803500646 /nfs/dbraw/zinc/50/06/46/803500646.db2.gz CODQOSAHFOGZBO-MRXNPFEDSA-N 2 1 289.423 2.185 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1CCC(O)CC1 ZINC001117777362 814948055 /nfs/dbraw/zinc/94/80/55/814948055.db2.gz MLVJREWBIQTDOE-HWOWSKLDSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1CCC(O)CC1 ZINC001117777362 814948060 /nfs/dbraw/zinc/94/80/60/814948060.db2.gz MLVJREWBIQTDOE-HWOWSKLDSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1CCC(O)CC1 ZINC001117777362 814948068 /nfs/dbraw/zinc/94/80/68/814948068.db2.gz MLVJREWBIQTDOE-HWOWSKLDSA-N 2 1 268.445 2.344 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)C1CCC([NH3+])CC1 ZINC000695482551 803691061 /nfs/dbraw/zinc/69/10/61/803691061.db2.gz IBVROSVENNLTHS-UHFFFAOYSA-N 3 1 253.434 2.064 20 0 CEADMP C[N@H+](CCCN1CCCCC1)C1CCC([NH3+])CC1 ZINC000695482551 803691066 /nfs/dbraw/zinc/69/10/66/803691066.db2.gz IBVROSVENNLTHS-UHFFFAOYSA-N 2 1 253.434 2.064 20 0 CEADMP C[N@@H+](CCCN1CCCCC1)C1CCC([NH3+])CC1 ZINC000695482551 803691069 /nfs/dbraw/zinc/69/10/69/803691069.db2.gz IBVROSVENNLTHS-UHFFFAOYSA-N 2 1 253.434 2.064 20 0 CEADMP CC(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105066896 803765775 /nfs/dbraw/zinc/76/57/75/803765775.db2.gz FVCUJWMFLYUKTJ-HZPDHXFCSA-N 2 1 297.487 2.057 20 0 CEADMP OCCCCC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222154456 803810003 /nfs/dbraw/zinc/81/00/03/803810003.db2.gz MVYAULPWSWQFCO-MRXNPFEDSA-N 2 1 268.445 2.395 20 0 CEADMP C(C[C@@H]1CCCS1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000715641848 814984379 /nfs/dbraw/zinc/98/43/79/814984379.db2.gz GUAUDMDIZPYPNW-IHRRRGAJSA-N 2 1 254.443 2.489 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@@H]2CCCc3[nH]ncc32)CC1 ZINC000335622498 804053094 /nfs/dbraw/zinc/05/30/94/804053094.db2.gz PKRIQOWZXILKMZ-ORHYLEIMSA-N 2 1 262.401 2.250 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027407237 804063898 /nfs/dbraw/zinc/06/38/98/804063898.db2.gz BLYZJFWDDQNUMX-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027407237 804063906 /nfs/dbraw/zinc/06/39/06/804063906.db2.gz BLYZJFWDDQNUMX-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001027407237 804063916 /nfs/dbraw/zinc/06/39/16/804063916.db2.gz BLYZJFWDDQNUMX-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1)[NH+](C)C ZINC001027460232 804078493 /nfs/dbraw/zinc/07/84/93/804078493.db2.gz HOAODSQEKQJKBJ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1)[NH+](C)C ZINC001027578160 804134543 /nfs/dbraw/zinc/13/45/43/804134543.db2.gz FIQBXGXCDUCQOZ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001118287054 815000757 /nfs/dbraw/zinc/00/07/57/815000757.db2.gz QKQWPBDIIAIRMV-BZUAXINKSA-N 2 1 295.471 2.132 20 0 CEADMP CCCC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001167812220 804357580 /nfs/dbraw/zinc/35/75/80/804357580.db2.gz IEETZAZXPZOHNJ-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCn2nccc2C1 ZINC001167835284 804425196 /nfs/dbraw/zinc/42/51/96/804425196.db2.gz RAACIIREJDAADR-AWEZNQCLSA-N 2 1 264.417 2.209 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC001167835950 804428254 /nfs/dbraw/zinc/42/82/54/804428254.db2.gz WLUHPARIVISMEX-GOEBONIOSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](C(C)=O)C1 ZINC001167840645 804441333 /nfs/dbraw/zinc/44/13/33/804441333.db2.gz GVXPPGIWIOSTRH-DZGCQCFKSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CC(C)(C)C1 ZINC001127079239 807010973 /nfs/dbraw/zinc/01/09/73/807010973.db2.gz ZWIWDRCVYBGURS-HNNXBMFYSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21)C1CC(F)(F)C1 ZINC001207837822 804693501 /nfs/dbraw/zinc/69/35/01/804693501.db2.gz UAAHEOMOKBVCGI-YRRQLQLVSA-N 2 1 258.356 2.350 20 0 CEADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001284133747 804800043 /nfs/dbraw/zinc/80/00/43/804800043.db2.gz ZTBMSKIIXOTUPL-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727822 804867533 /nfs/dbraw/zinc/86/75/33/804867533.db2.gz QWPKODXSIVWVJR-UHFFFAOYSA-N 3 1 291.483 2.232 20 0 CEADMP C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268645011 804905910 /nfs/dbraw/zinc/90/59/10/804905910.db2.gz FVCYWLNEPSNZRX-RBSFLKMASA-N 2 1 297.487 2.247 20 0 CEADMP CC/C=C/CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268729245 804946561 /nfs/dbraw/zinc/94/65/61/804946561.db2.gz CKTOXYKYRBOQQH-AVFOFMLLSA-N 2 1 295.471 2.119 20 0 CEADMP CC/C=C/CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268729245 804946563 /nfs/dbraw/zinc/94/65/63/804946563.db2.gz CKTOXYKYRBOQQH-AVFOFMLLSA-N 2 1 295.471 2.119 20 0 CEADMP CC/C=C/CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268729245 804946570 /nfs/dbraw/zinc/94/65/70/804946570.db2.gz CKTOXYKYRBOQQH-AVFOFMLLSA-N 2 1 295.471 2.119 20 0 CEADMP CCCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001269071151 805042085 /nfs/dbraw/zinc/04/20/85/805042085.db2.gz CVWUPACFTPQAJA-HRCADAONSA-N 2 1 295.471 2.001 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001224932392 807044091 /nfs/dbraw/zinc/04/40/91/807044091.db2.gz YQSMCGYWVMCFTM-QDMKHBRRSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001284652550 805269142 /nfs/dbraw/zinc/26/91/42/805269142.db2.gz KHCUKAFKYVHVGD-HUUCEWRRSA-N 2 1 295.471 2.025 20 0 CEADMP CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001270021346 805312675 /nfs/dbraw/zinc/31/26/75/805312675.db2.gz DSVHKCDEVRYMKA-SWJNODNISA-N 2 1 293.455 2.018 20 0 CEADMP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001270205577 805368557 /nfs/dbraw/zinc/36/85/57/805368557.db2.gz FAAVBPAFXJNZSU-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001270275791 805389093 /nfs/dbraw/zinc/38/90/93/805389093.db2.gz MZZOOULXOIOMLR-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC/C=C\CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001270486256 805448736 /nfs/dbraw/zinc/44/87/36/805448736.db2.gz JTXQACUCMHUMQD-OKQSBHACSA-N 2 1 295.471 2.169 20 0 CEADMP C[N@H+]1CCC[C@H]1CCNC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167965424 805466014 /nfs/dbraw/zinc/46/60/14/805466014.db2.gz FDJMGEMWHHWAKW-XFYFCPPXSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@H]1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965424 805466017 /nfs/dbraw/zinc/46/60/17/805466017.db2.gz FDJMGEMWHHWAKW-XFYFCPPXSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@H]1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965424 805466021 /nfs/dbraw/zinc/46/60/21/805466021.db2.gz FDJMGEMWHHWAKW-XFYFCPPXSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167965424 805466026 /nfs/dbraw/zinc/46/60/26/805466026.db2.gz FDJMGEMWHHWAKW-XFYFCPPXSA-N 3 1 291.483 2.466 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167965424 805466029 /nfs/dbraw/zinc/46/60/29/805466029.db2.gz FDJMGEMWHHWAKW-XFYFCPPXSA-N 3 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965424 805466032 /nfs/dbraw/zinc/46/60/32/805466032.db2.gz FDJMGEMWHHWAKW-XFYFCPPXSA-N 3 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965424 805466035 /nfs/dbraw/zinc/46/60/35/805466035.db2.gz FDJMGEMWHHWAKW-XFYFCPPXSA-N 3 1 291.483 2.466 20 0 CEADMP C[C@H]1C[C@@H](CO)[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167982786 805518663 /nfs/dbraw/zinc/51/86/63/805518663.db2.gz AACUSWMRMHODRU-JDACHINLSA-N 2 1 278.440 2.095 20 0 CEADMP C[C@H]1C[C@@H](CO)[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167982786 805518668 /nfs/dbraw/zinc/51/86/68/805518668.db2.gz AACUSWMRMHODRU-JDACHINLSA-N 2 1 278.440 2.095 20 0 CEADMP C[C@H]1C[C@@H](CO)[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167982786 805518677 /nfs/dbraw/zinc/51/86/77/805518677.db2.gz AACUSWMRMHODRU-JDACHINLSA-N 2 1 278.440 2.095 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C[C@@H]1C[NH3+] ZINC000716300284 815111031 /nfs/dbraw/zinc/11/10/31/815111031.db2.gz DYZBQBCUEGEBHJ-ILXRZTDVSA-N 2 1 266.429 2.252 20 0 CEADMP C([C@@H]1CCC2(CCC2)CO1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000716335698 815115552 /nfs/dbraw/zinc/11/55/52/815115552.db2.gz RUSNSFMGQICCEE-DOTOQJQBSA-N 2 1 278.440 2.411 20 0 CEADMP CCC(CC)C[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001272423719 807476971 /nfs/dbraw/zinc/47/69/71/807476971.db2.gz JMQDVNAGLAEREE-QGZVFWFLSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)(C[NH3+])[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171447770 815128602 /nfs/dbraw/zinc/12/86/02/815128602.db2.gz GRMSYOJKBBJQRB-NSHDSACASA-N 2 1 254.324 2.149 20 0 CEADMP [NH3+][C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)o2)CC1 ZINC001205102917 807638494 /nfs/dbraw/zinc/63/84/94/807638494.db2.gz WIDDMCULAFOYKL-ZDUSSCGKSA-N 2 1 263.385 2.193 20 0 CEADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)o2)CC1 ZINC001205102917 807638497 /nfs/dbraw/zinc/63/84/97/807638497.db2.gz WIDDMCULAFOYKL-ZDUSSCGKSA-N 2 1 263.385 2.193 20 0 CEADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC(C)(C)O1 ZINC000699283081 807670638 /nfs/dbraw/zinc/67/06/38/807670638.db2.gz RSHJQENLIGAWIV-FUDCBSFHSA-N 2 1 252.402 2.016 20 0 CEADMP C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC001119606718 815137982 /nfs/dbraw/zinc/13/79/82/815137982.db2.gz RJHCLYRKMUOROK-NEPJUHHUSA-N 2 1 264.417 2.266 20 0 CEADMP [NH3+][C@@H]1CCC[N@H+](Cc2[nH]nc3cc(F)ccc32)CC1 ZINC001205117859 807707659 /nfs/dbraw/zinc/70/76/59/807707659.db2.gz XDRQSQILDJLIEP-LLVKDONJSA-N 2 1 262.332 2.015 20 0 CEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2[nH]nc3cc(F)ccc32)CC1 ZINC001205117859 807707666 /nfs/dbraw/zinc/70/76/66/807707666.db2.gz XDRQSQILDJLIEP-LLVKDONJSA-N 2 1 262.332 2.015 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc3cccnc3cc2F)C[C@H]1C[NH3+] ZINC001205140156 807787622 /nfs/dbraw/zinc/78/76/22/807787622.db2.gz BACOBTGKUJYPQO-SMDDNHRTSA-N 2 1 273.355 2.401 20 0 CEADMP C[N@@H+](CCCCNC(=O)OC(C)(C)C)C[C@H]1CCC[NH2+]C1 ZINC001235950309 807898423 /nfs/dbraw/zinc/89/84/23/807898423.db2.gz AFPYVFAHQVZLAK-AWEZNQCLSA-N 2 1 299.459 2.223 20 0 CEADMP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000691798387 808165287 /nfs/dbraw/zinc/16/52/87/808165287.db2.gz IPJUVAVUMVGLDI-OAHLLOKOSA-N 2 1 252.402 2.162 20 0 CEADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000691798387 808165292 /nfs/dbraw/zinc/16/52/92/808165292.db2.gz IPJUVAVUMVGLDI-OAHLLOKOSA-N 2 1 252.402 2.162 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC001120017485 815187428 /nfs/dbraw/zinc/18/74/28/815187428.db2.gz BBJHSBWJTNUXKT-AWEZNQCLSA-N 2 1 250.361 2.252 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC(C)C)CCCCC1 ZINC001120045891 815191888 /nfs/dbraw/zinc/19/18/88/815191888.db2.gz HHPBJWZPOPYYEH-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP CC(C)[NH+]1CC(NC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171622088 815205191 /nfs/dbraw/zinc/20/51/91/815205191.db2.gz SNMUXDOLWALHCG-UHFFFAOYSA-N 2 1 267.461 2.320 20 0 CEADMP CCCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107533724 808458149 /nfs/dbraw/zinc/45/81/49/808458149.db2.gz CEWJJSKYIHXARS-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1C[C@@H](n2ccnc2CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171724881 815217943 /nfs/dbraw/zinc/21/79/43/815217943.db2.gz DOWUIANTEXZZTF-GOEBONIOSA-N 2 1 284.407 2.220 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CC)C1 ZINC001120449530 815223115 /nfs/dbraw/zinc/22/31/15/815223115.db2.gz NSZCKPCUOGZQOV-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC)C1 ZINC001120449530 815223121 /nfs/dbraw/zinc/22/31/21/815223121.db2.gz NSZCKPCUOGZQOV-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC)C1 ZINC001120449530 815223128 /nfs/dbraw/zinc/22/31/28/815223128.db2.gz NSZCKPCUOGZQOV-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP Cn1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c(C2CCCC2)n1 ZINC000921630036 808644724 /nfs/dbraw/zinc/64/47/24/808644724.db2.gz FKTOFCGQZRIZSI-OAHLLOKOSA-N 2 1 299.422 2.379 20 0 CEADMP CCOc1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)ccc1C ZINC001205247002 808698800 /nfs/dbraw/zinc/69/88/00/808698800.db2.gz ABNZBOKJPGLYIH-QGZVFWFLSA-N 2 1 292.423 2.069 20 0 CEADMP CC(C)c1cccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205248897 808701810 /nfs/dbraw/zinc/70/18/10/808701810.db2.gz SRGGQMBRALOHIE-KRWDZBQOSA-N 2 1 276.424 2.486 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)c2ncc[nH]2)C1 ZINC000353499168 808824863 /nfs/dbraw/zinc/82/48/63/808824863.db2.gz UBXXMHBQTAMCPC-OLZOCXBDSA-N 2 1 250.390 2.181 20 0 CEADMP CN1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171970888 815264307 /nfs/dbraw/zinc/26/43/07/815264307.db2.gz FZGLSHKRHDBDGX-MRXNPFEDSA-N 2 1 287.451 2.333 20 0 CEADMP CN1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171970888 815264312 /nfs/dbraw/zinc/26/43/12/815264312.db2.gz FZGLSHKRHDBDGX-MRXNPFEDSA-N 2 1 287.451 2.333 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1 ZINC001033222772 809238415 /nfs/dbraw/zinc/23/84/15/809238415.db2.gz JHCZBZYQYYVWNR-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001033222772 809238419 /nfs/dbraw/zinc/23/84/19/809238419.db2.gz JHCZBZYQYYVWNR-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001033222772 809238423 /nfs/dbraw/zinc/23/84/23/809238423.db2.gz JHCZBZYQYYVWNR-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@H](CNc1cc[nH+]cc1)[N@H+]1CCc2sccc2C1 ZINC001120779882 815272889 /nfs/dbraw/zinc/27/28/89/815272889.db2.gz QSTZPEVCHDYLOU-GFCCVEGCSA-N 2 1 273.405 2.424 20 0 CEADMP C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1nnc2ccccn21 ZINC001172099610 815283450 /nfs/dbraw/zinc/28/34/50/815283450.db2.gz LKCZRVYZFGXRDX-ZQDZILKHSA-N 2 1 299.422 2.395 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1nnc2ccccn21 ZINC001172099610 815283456 /nfs/dbraw/zinc/28/34/56/815283456.db2.gz LKCZRVYZFGXRDX-ZQDZILKHSA-N 2 1 299.422 2.395 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1nnc2ccccn21 ZINC001172099610 815283462 /nfs/dbraw/zinc/28/34/62/815283462.db2.gz LKCZRVYZFGXRDX-ZQDZILKHSA-N 2 1 299.422 2.395 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656764 809371162 /nfs/dbraw/zinc/37/11/62/809371162.db2.gz DZKXWVLGMDYVLU-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1(C)C ZINC001172127313 815286894 /nfs/dbraw/zinc/28/68/94/815286894.db2.gz HSCIEDHWJIMLFN-QDMKHBRRSA-N 2 1 265.445 2.028 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[N@H+](C)C(C)(C)C1)C2 ZINC001172127313 815286898 /nfs/dbraw/zinc/28/68/98/815286898.db2.gz HSCIEDHWJIMLFN-QDMKHBRRSA-N 2 1 265.445 2.028 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[N@@H+](C)C(C)(C)C1)C2 ZINC001172127313 815286903 /nfs/dbraw/zinc/28/69/03/815286903.db2.gz HSCIEDHWJIMLFN-QDMKHBRRSA-N 2 1 265.445 2.028 20 0 CEADMP CC(C)[C@@H]1COCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129373 815288627 /nfs/dbraw/zinc/28/86/27/815288627.db2.gz YVTXUTFCPPAPDA-FZKCQIBNSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[C@@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129373 815288631 /nfs/dbraw/zinc/28/86/31/815288631.db2.gz YVTXUTFCPPAPDA-FZKCQIBNSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[C@@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129373 815288633 /nfs/dbraw/zinc/28/86/33/815288633.db2.gz YVTXUTFCPPAPDA-FZKCQIBNSA-N 2 1 266.429 2.359 20 0 CEADMP CC[N@@H+](C)C1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172131956 815290232 /nfs/dbraw/zinc/29/02/32/815290232.db2.gz ZSDKTILOSCOQFX-BJWYYQGGSA-N 2 1 279.472 2.418 20 0 CEADMP CC[NH+](C)C1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172131956 815290237 /nfs/dbraw/zinc/29/02/37/815290237.db2.gz ZSDKTILOSCOQFX-BJWYYQGGSA-N 2 1 279.472 2.418 20 0 CEADMP CC[NH+](C)C1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172131956 815290242 /nfs/dbraw/zinc/29/02/42/815290242.db2.gz ZSDKTILOSCOQFX-BJWYYQGGSA-N 2 1 279.472 2.418 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H]1CCCC[N@@H+]1C)C2 ZINC001172101944 815294909 /nfs/dbraw/zinc/29/49/09/815294909.db2.gz IJCVIROJQCPCAR-JONQDZQNSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCCC[C@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172101944 815294914 /nfs/dbraw/zinc/29/49/14/815294914.db2.gz IJCVIROJQCPCAR-JONQDZQNSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCCC[C@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101944 815294918 /nfs/dbraw/zinc/29/49/18/815294918.db2.gz IJCVIROJQCPCAR-JONQDZQNSA-N 2 1 265.445 2.076 20 0 CEADMP CN1CCCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172101944 815294921 /nfs/dbraw/zinc/29/49/21/815294921.db2.gz IJCVIROJQCPCAR-JONQDZQNSA-N 2 1 265.445 2.076 20 0 CEADMP CN1CCCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101944 815294926 /nfs/dbraw/zinc/29/49/26/815294926.db2.gz IJCVIROJQCPCAR-JONQDZQNSA-N 2 1 265.445 2.076 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(=O)CC1)C2 ZINC001172107450 815296692 /nfs/dbraw/zinc/29/66/92/815296692.db2.gz XSDVJLHMIGTCOE-ZSOGYDGISA-N 2 1 250.386 2.103 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(=O)CC1)C2 ZINC001172107450 815296694 /nfs/dbraw/zinc/29/66/94/815296694.db2.gz XSDVJLHMIGTCOE-ZSOGYDGISA-N 2 1 250.386 2.103 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCC[NH+]1CCCCC1)C2 ZINC001172105968 815297003 /nfs/dbraw/zinc/29/70/03/815297003.db2.gz LTQWVUZHZCVDKU-BJWYYQGGSA-N 2 1 279.472 2.467 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC3(CC1)OCCO3)C2 ZINC001172110419 815300392 /nfs/dbraw/zinc/30/03/92/815300392.db2.gz NBYRIZWRFPSJOW-MUJYYYPQSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)C1(C)CCC([NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001168754056 809563082 /nfs/dbraw/zinc/56/30/82/809563082.db2.gz GQMBSIKIYJATEQ-HLIUYOAVSA-N 2 1 282.428 2.182 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001034270553 809567449 /nfs/dbraw/zinc/56/74/49/809567449.db2.gz IBSRDVDQEMJAFH-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034270553 809567451 /nfs/dbraw/zinc/56/74/51/809567451.db2.gz IBSRDVDQEMJAFH-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034270553 809567455 /nfs/dbraw/zinc/56/74/55/809567455.db2.gz IBSRDVDQEMJAFH-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034270553 809567460 /nfs/dbraw/zinc/56/74/60/809567460.db2.gz IBSRDVDQEMJAFH-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034270553 809567461 /nfs/dbraw/zinc/56/74/61/809567461.db2.gz IBSRDVDQEMJAFH-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC3(CC1)OCCO3)C2 ZINC001172110419 815300397 /nfs/dbraw/zinc/30/03/97/815300397.db2.gz NBYRIZWRFPSJOW-MUJYYYPQSA-N 2 1 294.439 2.277 20 0 CEADMP C[C@@H]1CC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702650765 809573591 /nfs/dbraw/zinc/57/35/91/809573591.db2.gz BCUZWFZHYFRTEY-OIISXLGYSA-N 2 1 274.408 2.012 20 0 CEADMP C[C@@H]1CC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702650765 809573594 /nfs/dbraw/zinc/57/35/94/809573594.db2.gz BCUZWFZHYFRTEY-OIISXLGYSA-N 2 1 274.408 2.012 20 0 CEADMP CC(C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001034716013 809673747 /nfs/dbraw/zinc/67/37/47/809673747.db2.gz ZBNBGXJGTZIMER-VGWMRTNUSA-N 2 1 295.471 2.142 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@]3(CCCO3)C1)C2 ZINC001172121006 815308244 /nfs/dbraw/zinc/30/82/44/815308244.db2.gz NXBQDWMJKYYCDA-FXUDXRNXSA-N 2 1 264.413 2.257 20 0 CEADMP Cc1ccc2nc(C[NH+]3CCC(C[NH3+])CC3)[nH]c2c1 ZINC001205058148 809700684 /nfs/dbraw/zinc/70/06/84/809700684.db2.gz FLRFXTGNNXELRL-UHFFFAOYSA-N 2 1 258.369 2.042 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206157418 815311478 /nfs/dbraw/zinc/31/14/78/815311478.db2.gz YNDZGFCNJAPMKH-CABCVRRESA-N 2 1 266.360 2.347 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@@H]([NH+]3CCCC3)C1)C2 ZINC001172121381 815312367 /nfs/dbraw/zinc/31/23/67/815312367.db2.gz FHVQJGYKFXBJTB-TWMKSMIVSA-N 2 1 277.456 2.172 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@](O)(CF)CC1)C2 ZINC001172121676 815312613 /nfs/dbraw/zinc/31/26/13/815312613.db2.gz SHUKEOLKKUYZPD-QKPAOTATSA-N 2 1 284.419 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@](O)(CF)CC1)C2 ZINC001172121676 815312619 /nfs/dbraw/zinc/31/26/19/815312619.db2.gz SHUKEOLKKUYZPD-QKPAOTATSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@](O)(CF)CC1)C2 ZINC001172121676 815312625 /nfs/dbraw/zinc/31/26/25/815312625.db2.gz SHUKEOLKKUYZPD-QKPAOTATSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@](O)(CF)CC1)C2 ZINC001172121676 815312631 /nfs/dbraw/zinc/31/26/31/815312631.db2.gz SHUKEOLKKUYZPD-QKPAOTATSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+](C)CC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172122898 815314366 /nfs/dbraw/zinc/31/43/66/815314366.db2.gz VERFEMQNZMXTJN-FVQHAEBGSA-N 3 1 279.472 2.275 20 0 CEADMP C[NH+](C)CC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172122898 815314373 /nfs/dbraw/zinc/31/43/73/815314373.db2.gz VERFEMQNZMXTJN-FVQHAEBGSA-N 3 1 279.472 2.275 20 0 CEADMP C[NH+](CCCCCCC[NH3+])C[C@H]1CCC[N@@H+](C)C1 ZINC000705149127 809769973 /nfs/dbraw/zinc/76/99/73/809769973.db2.gz WIDZIIRXOKDVCW-OAHLLOKOSA-N 3 1 255.450 2.169 20 0 CEADMP CN1CCC[C@H](C[N@H+](C)CCCCCCC[NH3+])C1 ZINC000705149127 809769975 /nfs/dbraw/zinc/76/99/75/809769975.db2.gz WIDZIIRXOKDVCW-OAHLLOKOSA-N 2 1 255.450 2.169 20 0 CEADMP CN1CCC[C@H](C[N@@H+](C)CCCCCCC[NH3+])C1 ZINC000705149127 809769979 /nfs/dbraw/zinc/76/99/79/809769979.db2.gz WIDZIIRXOKDVCW-OAHLLOKOSA-N 2 1 255.450 2.169 20 0 CEADMP C[N@@H+](CCCCCCC[NH3+])C[C@H]1CCC[NH+](C)C1 ZINC000705149127 809769968 /nfs/dbraw/zinc/76/99/68/809769968.db2.gz WIDZIIRXOKDVCW-OAHLLOKOSA-N 3 1 255.450 2.169 20 0 CEADMP C[NH+](CCCCCCC[NH3+])C[C@H]1CCC[N@H+](C)C1 ZINC000705149127 809769970 /nfs/dbraw/zinc/76/99/70/809769970.db2.gz WIDZIIRXOKDVCW-OAHLLOKOSA-N 3 1 255.450 2.169 20 0 CEADMP COCC1([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000706397172 809817723 /nfs/dbraw/zinc/81/77/23/809817723.db2.gz BKMOHILRRSDVSC-AGUYFDCRSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172162679 815325955 /nfs/dbraw/zinc/32/59/55/815325955.db2.gz YQGPFZCOCPFUCJ-KLHDSHLOSA-N 2 1 293.455 2.120 20 0 CEADMP CCOC[C@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000708270405 809925442 /nfs/dbraw/zinc/92/54/42/809925442.db2.gz KCWSMULWHLUAOT-LBPRGKRZSA-N 2 1 280.437 2.252 20 0 CEADMP CC(C)(C)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000708432708 809930848 /nfs/dbraw/zinc/93/08/48/809930848.db2.gz JDKDAZRUGFPJSL-LSDHHAIUSA-N 2 1 268.445 2.201 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CCC[C@H](C[NH3+])C2)C(C)(C)O1 ZINC000709702788 809953683 /nfs/dbraw/zinc/95/36/83/809953683.db2.gz PJYJXLPEUTWYDU-CHWSQXEVSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C[C@@H]1C[NH3+] ZINC000709704042 809953969 /nfs/dbraw/zinc/95/39/69/809953969.db2.gz XACAAOAPZRHVNY-HZSPNIEDSA-N 2 1 268.445 2.497 20 0 CEADMP C[C@]1(C(F)(F)F)CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000709597773 809965876 /nfs/dbraw/zinc/96/58/76/809965876.db2.gz WVBJKLZSWQNZKT-MNOVXSKESA-N 2 1 250.308 2.260 20 0 CEADMP Cc1cccc([C@@H](O)C[NH+]2CCC(C)([NH+](C)C)CC2)c1 ZINC000709827619 809971669 /nfs/dbraw/zinc/97/16/69/809971669.db2.gz LJIOPCJUSAIVKB-INIZCTEOSA-N 2 1 276.424 2.445 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCOc1ccccc1)C2 ZINC000709862938 809973121 /nfs/dbraw/zinc/97/31/21/809973121.db2.gz QTYNBANQWQFKNN-ZNMIVQPWSA-N 2 1 260.381 2.267 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(F)cc1F)C2 ZINC000709851682 809973172 /nfs/dbraw/zinc/97/31/72/809973172.db2.gz DIHVXUUMXRPYMI-XDTLVQLUSA-N 2 1 252.308 2.276 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(F)cc1F)C2 ZINC000709851682 809973177 /nfs/dbraw/zinc/97/31/77/809973177.db2.gz DIHVXUUMXRPYMI-XDTLVQLUSA-N 2 1 252.308 2.276 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)CC[C@H]1F ZINC001206163141 815334182 /nfs/dbraw/zinc/33/41/82/815334182.db2.gz AEXRUSVEAOSUGJ-HUUCEWRRSA-N 2 1 278.371 2.273 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000711926115 810106758 /nfs/dbraw/zinc/10/67/58/810106758.db2.gz RFDOLKWZBCGFSX-JKSUJKDBSA-N 2 1 277.412 2.376 20 0 CEADMP C[C@@H](C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+])OCc1ccccc1 ZINC001205058948 810201649 /nfs/dbraw/zinc/20/16/49/810201649.db2.gz ZKSZOIWRCZLIEY-DZKIICNBSA-N 2 1 262.397 2.403 20 0 CEADMP C[C@@H](C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+])OCc1ccccc1 ZINC001205058948 810201650 /nfs/dbraw/zinc/20/16/50/810201650.db2.gz ZKSZOIWRCZLIEY-DZKIICNBSA-N 2 1 262.397 2.403 20 0 CEADMP CC(C)[N@@H+](C1CCN(C)CC1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172241987 815355391 /nfs/dbraw/zinc/35/53/91/815355391.db2.gz BXWFCMWHNLVBLE-MQVJKMGUSA-N 2 1 264.413 2.277 20 0 CEADMP COCCC[NH+]1CCC([N@H+](C)C2CCCC2)CC1 ZINC001172255075 815360478 /nfs/dbraw/zinc/36/04/78/815360478.db2.gz HJXQPVUORNKLKN-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP COCCC[NH+]1CCC([N@@H+](C)C2CCCC2)CC1 ZINC001172255075 815360485 /nfs/dbraw/zinc/36/04/85/815360485.db2.gz HJXQPVUORNKLKN-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC=C(C)C)C1 ZINC001164455881 810372685 /nfs/dbraw/zinc/37/26/85/810372685.db2.gz HLBGLZYDKISWFJ-INIZCTEOSA-N 2 1 295.471 2.171 20 0 CEADMP O[C@@]1(C[NH2+]C/C=C\C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001119003442 810394995 /nfs/dbraw/zinc/39/49/95/810394995.db2.gz MFLHESZGWRNKHC-NCRRVARUSA-N 2 1 286.419 2.179 20 0 CEADMP O[C@@]1(C[NH2+]C/C=C\C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001119003442 810395005 /nfs/dbraw/zinc/39/50/05/810395005.db2.gz MFLHESZGWRNKHC-NCRRVARUSA-N 2 1 286.419 2.179 20 0 CEADMP CC(C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001017704168 810545453 /nfs/dbraw/zinc/54/54/53/810545453.db2.gz BXPANYVCUOIDCI-GASCZTMLSA-N 2 1 298.390 2.032 20 0 CEADMP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001085245803 810702890 /nfs/dbraw/zinc/70/28/90/810702890.db2.gz NCCFUJHXAAKYAO-BZUAXINKSA-N 2 1 295.471 2.144 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](O)CC1 ZINC001258908626 810737821 /nfs/dbraw/zinc/73/78/21/810737821.db2.gz ZDGJRWSQEAOFHB-HUUCEWRRSA-N 2 1 256.434 2.344 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4c[nH]nc4c3)C[C@H]2CC1 ZINC001276378359 810788653 /nfs/dbraw/zinc/78/86/53/810788653.db2.gz ROOBMVNXNFFSCG-IYBDPMFKSA-N 2 1 284.407 2.337 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)C[C@H]2CC1 ZINC001276378359 810788661 /nfs/dbraw/zinc/78/86/61/810788661.db2.gz ROOBMVNXNFFSCG-IYBDPMFKSA-N 2 1 284.407 2.337 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)C[C@H]2CC1 ZINC001276378359 810788664 /nfs/dbraw/zinc/78/86/64/810788664.db2.gz ROOBMVNXNFFSCG-IYBDPMFKSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085855723 810946777 /nfs/dbraw/zinc/94/67/77/810946777.db2.gz HUYNRJASYOPTAR-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000381946766 811123999 /nfs/dbraw/zinc/12/39/99/811123999.db2.gz ZIMJKQQPQOCUQN-QGZVFWFLSA-N 2 1 276.424 2.354 20 0 CEADMP CC(C)[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000381946766 811124003 /nfs/dbraw/zinc/12/40/03/811124003.db2.gz ZIMJKQQPQOCUQN-QGZVFWFLSA-N 2 1 276.424 2.354 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001155811821 811142198 /nfs/dbraw/zinc/14/21/98/811142198.db2.gz KJUSUMNMYCLHMM-INIZCTEOSA-N 2 1 293.455 2.067 20 0 CEADMP COc1ccc2c[nH+]c(N(C)C3CC[NH2+]CC3)cc2c1 ZINC001156176051 811216274 /nfs/dbraw/zinc/21/62/74/811216274.db2.gz QINFHBYBEOHHMQ-UHFFFAOYSA-N 2 1 271.364 2.432 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001168845192 811276493 /nfs/dbraw/zinc/27/64/93/811276493.db2.gz KWCZLWZAZPHFAW-KBPBESRZSA-N 2 1 299.459 2.268 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001168845192 811276497 /nfs/dbraw/zinc/27/64/97/811276497.db2.gz KWCZLWZAZPHFAW-KBPBESRZSA-N 2 1 299.459 2.268 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c(N)ccnc2Cl)CCC[C@H]1C[NH3+] ZINC001205995797 811294714 /nfs/dbraw/zinc/29/47/14/811294714.db2.gz QNAHDTLBKMQCHK-QWRGUYRKSA-N 2 1 282.819 2.124 20 0 CEADMP CC(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042710611 811321464 /nfs/dbraw/zinc/32/14/64/811321464.db2.gz GSRGXVCWBDQZQU-MRXNPFEDSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001042710611 811321469 /nfs/dbraw/zinc/32/14/69/811321469.db2.gz GSRGXVCWBDQZQU-MRXNPFEDSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC(C)C)C1 ZINC001042847855 811332963 /nfs/dbraw/zinc/33/29/63/811332963.db2.gz JAYGZLMOINHVQW-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC(C)C)C1 ZINC001042847855 811332971 /nfs/dbraw/zinc/33/29/71/811332971.db2.gz JAYGZLMOINHVQW-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)C2 ZINC001169100281 811372914 /nfs/dbraw/zinc/37/29/14/811372914.db2.gz IEBSBMCBOBLEGB-JFILPPLUSA-N 2 1 296.361 2.213 20 0 CEADMP CN(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC001169081547 811377432 /nfs/dbraw/zinc/37/74/32/811377432.db2.gz SUKXHBVEQOFGPR-BTTYYORXSA-N 2 1 297.443 2.068 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C2 ZINC001169077937 811378669 /nfs/dbraw/zinc/37/86/69/811378669.db2.gz BXOJOVXHZIGRIS-LVQVYYBASA-N 2 1 278.371 2.074 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC001169082168 811380605 /nfs/dbraw/zinc/38/06/05/811380605.db2.gz YCTHPKAEQHUHBB-QKDCVEJESA-N 2 1 290.407 2.419 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC001169082168 811380615 /nfs/dbraw/zinc/38/06/15/811380615.db2.gz YCTHPKAEQHUHBB-QKDCVEJESA-N 2 1 290.407 2.419 20 0 CEADMP COC(=O)C12CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)(CC1)C2 ZINC001169125301 811394043 /nfs/dbraw/zinc/39/40/43/811394043.db2.gz YMTOMIXTHUKZLU-OWGQOLBXSA-N 2 1 292.423 2.077 20 0 CEADMP CC(C)OCC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172457155 815444789 /nfs/dbraw/zinc/44/47/89/815444789.db2.gz RVTHRQQNYWGSJT-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)OCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001172457155 815444792 /nfs/dbraw/zinc/44/47/92/815444792.db2.gz RVTHRQQNYWGSJT-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)OCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001172457155 815444796 /nfs/dbraw/zinc/44/47/96/815444796.db2.gz RVTHRQQNYWGSJT-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)NC(C)(C)C ZINC001169109339 811402924 /nfs/dbraw/zinc/40/29/24/811402924.db2.gz AYLDYABSNXILOM-XGUBFFRZSA-N 2 1 295.471 2.141 20 0 CEADMP CC(C)[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)NC(C)(C)C ZINC001169109339 811402930 /nfs/dbraw/zinc/40/29/30/811402930.db2.gz AYLDYABSNXILOM-XGUBFFRZSA-N 2 1 295.471 2.141 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccc(O)cc3C1)C2 ZINC001169108328 811403788 /nfs/dbraw/zinc/40/37/88/811403788.db2.gz RDMMEKVGPCPNAA-NXOAAHMSSA-N 2 1 286.419 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](COCC3CC3)C1)C2 ZINC001169155429 811417105 /nfs/dbraw/zinc/41/71/05/811417105.db2.gz PEXFPIWOCVHJAS-NCOADZHNSA-N 2 1 278.440 2.360 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](COCC3CC3)C1)C2 ZINC001169155429 811417112 /nfs/dbraw/zinc/41/71/12/811417112.db2.gz PEXFPIWOCVHJAS-NCOADZHNSA-N 2 1 278.440 2.360 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](COCC3CC3)C1)C2 ZINC001169155429 811417119 /nfs/dbraw/zinc/41/71/19/811417119.db2.gz PEXFPIWOCVHJAS-NCOADZHNSA-N 2 1 278.440 2.360 20 0 CEADMP CCOC(=O)[C@H]1CCCC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC001169266652 811455623 /nfs/dbraw/zinc/45/56/23/811455623.db2.gz ZYBOCNYFRVQTFL-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@H]1CCCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC001169266652 811455626 /nfs/dbraw/zinc/45/56/26/811455626.db2.gz ZYBOCNYFRVQTFL-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001206011494 811508409 /nfs/dbraw/zinc/50/84/09/811508409.db2.gz CQWCEKVOPXMPTL-HIFRSBDPSA-N 2 1 277.412 2.287 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001169433896 811522370 /nfs/dbraw/zinc/52/23/70/811522370.db2.gz BNRSXGCJWCYGLL-ILXRZTDVSA-N 2 1 283.460 2.096 20 0 CEADMP Cc1cc(F)ncc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206013751 811582165 /nfs/dbraw/zinc/58/21/65/811582165.db2.gz UBFYUHZSCQWYLG-OLZOCXBDSA-N 2 1 265.376 2.336 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC ZINC001045271224 811587708 /nfs/dbraw/zinc/58/77/08/811587708.db2.gz SLNHLVIJASDEDQ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C)[NH+](C)C ZINC001045802405 811650322 /nfs/dbraw/zinc/65/03/22/811650322.db2.gz ATJWVVMQASUZLL-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CCCC[N@H+](CC)CC[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169907572 811709303 /nfs/dbraw/zinc/70/93/03/811709303.db2.gz PQZNUXHVMKJLSE-HNNXBMFYSA-N 2 1 284.444 2.384 20 0 CEADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169907572 811709309 /nfs/dbraw/zinc/70/93/09/811709309.db2.gz PQZNUXHVMKJLSE-HNNXBMFYSA-N 2 1 284.444 2.384 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3cncn32)CCC[C@@H]1C[NH3+] ZINC001206026494 811808827 /nfs/dbraw/zinc/80/88/27/811808827.db2.gz SIAAFHONFDFJNE-ZIAGYGMSSA-N 2 1 272.396 2.141 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cccc3c[nH+]cn32)CCC[C@@H]1C[NH3+] ZINC001206026494 811808833 /nfs/dbraw/zinc/80/88/33/811808833.db2.gz SIAAFHONFDFJNE-ZIAGYGMSSA-N 3 1 272.396 2.141 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c[nH+]cn32)CCC[C@@H]1C[NH3+] ZINC001206026494 811808839 /nfs/dbraw/zinc/80/88/39/811808839.db2.gz SIAAFHONFDFJNE-ZIAGYGMSSA-N 3 1 272.396 2.141 20 0 CEADMP CC(C)CCC[C@H](C)[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001170088638 812119127 /nfs/dbraw/zinc/11/91/27/812119127.db2.gz XAPHPENBKXWQGI-INIZCTEOSA-N 2 1 297.487 2.297 20 0 CEADMP CCC/C=C\CC[NH+]1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001113007734 812141526 /nfs/dbraw/zinc/14/15/26/812141526.db2.gz ZQPBXGNLCCXYLR-HLRDLLSLSA-N 2 1 295.471 2.217 20 0 CEADMP C[C@H]1CC[C@@H]([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170119207 812166139 /nfs/dbraw/zinc/16/61/39/812166139.db2.gz WFYZIZVZMRNXKW-XDQVBPFNSA-N 2 1 252.402 2.146 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001172767981 815513678 /nfs/dbraw/zinc/51/36/78/815513678.db2.gz NFYSJVLLIYNWAN-ZNMIVQPWSA-N 2 1 282.428 2.040 20 0 CEADMP CCN1CCO[C@@H]2C[N@@H+](Cc3ccc(C)s3)C[C@@H]2C1 ZINC001204034331 812236985 /nfs/dbraw/zinc/23/69/85/812236985.db2.gz GRXVUUGLWMOMNP-DZGCQCFKSA-N 2 1 280.437 2.209 20 0 CEADMP CCOC(=O)N1CCC([N@@H+](C)[C@H]2CCC[NH+](C)CC2)CC1 ZINC001254524261 812438287 /nfs/dbraw/zinc/43/82/87/812438287.db2.gz ABNUWBGQUXHGRK-AWEZNQCLSA-N 2 1 297.443 2.023 20 0 CEADMP CCOC(=O)N1CCC([NH+](C)[C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254524261 812438289 /nfs/dbraw/zinc/43/82/89/812438289.db2.gz ABNUWBGQUXHGRK-AWEZNQCLSA-N 2 1 297.443 2.023 20 0 CEADMP CCOC(=O)N1CCC([NH+](C)[C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254524261 812438292 /nfs/dbraw/zinc/43/82/92/812438292.db2.gz ABNUWBGQUXHGRK-AWEZNQCLSA-N 2 1 297.443 2.023 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052716514 812449983 /nfs/dbraw/zinc/44/99/83/812449983.db2.gz NVWFKEQTOKDRIX-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001052716514 812449987 /nfs/dbraw/zinc/44/99/87/812449987.db2.gz NVWFKEQTOKDRIX-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001052716514 812449991 /nfs/dbraw/zinc/44/99/91/812449991.db2.gz NVWFKEQTOKDRIX-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766658 812457248 /nfs/dbraw/zinc/45/72/48/812457248.db2.gz KACVXECSVXTJGR-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CCC(C)(C)C ZINC001129421832 812492713 /nfs/dbraw/zinc/49/27/13/812492713.db2.gz CYOMRXNIUVZBGO-HNNXBMFYSA-N 2 1 297.487 2.391 20 0 CEADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC1CCCCC1 ZINC001129846904 812513714 /nfs/dbraw/zinc/51/37/14/812513714.db2.gz VDJYHTRYEOAEEU-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130190004 812542877 /nfs/dbraw/zinc/54/28/77/812542877.db2.gz UWEDKHVFBPYUOA-HZPDHXFCSA-N 2 1 295.471 2.289 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CC(C)C)C1 ZINC001132153024 812792335 /nfs/dbraw/zinc/79/23/35/812792335.db2.gz MILYSUPESDTZNO-CABCVRRESA-N 2 1 297.487 2.342 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(C)C)C1 ZINC001132153024 812792341 /nfs/dbraw/zinc/79/23/41/812792341.db2.gz MILYSUPESDTZNO-CABCVRRESA-N 2 1 297.487 2.342 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(C)C)C1 ZINC001132153024 812792348 /nfs/dbraw/zinc/79/23/48/812792348.db2.gz MILYSUPESDTZNO-CABCVRRESA-N 2 1 297.487 2.342 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC=C(C)C)C1 ZINC001132441422 812854885 /nfs/dbraw/zinc/85/48/85/812854885.db2.gz OPDLCKVKUUFQLK-JKSUJKDBSA-N 2 1 295.471 2.264 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC=C(C)C)C1 ZINC001132441422 812854896 /nfs/dbraw/zinc/85/48/96/812854896.db2.gz OPDLCKVKUUFQLK-JKSUJKDBSA-N 2 1 295.471 2.264 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132441422 812854903 /nfs/dbraw/zinc/85/49/03/812854903.db2.gz OPDLCKVKUUFQLK-JKSUJKDBSA-N 2 1 295.471 2.264 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCC(C)C)C1 ZINC001132442046 812854976 /nfs/dbraw/zinc/85/49/76/812854976.db2.gz WAUXGXPJEXMEPQ-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC(C)C)C1 ZINC001132442046 812854983 /nfs/dbraw/zinc/85/49/83/812854983.db2.gz WAUXGXPJEXMEPQ-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC(C)C)C1 ZINC001132442046 812854992 /nfs/dbraw/zinc/85/49/92/812854992.db2.gz WAUXGXPJEXMEPQ-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132518902 812870446 /nfs/dbraw/zinc/87/04/46/812870446.db2.gz PYZIYRDHCWBKBE-HZPDHXFCSA-N 2 1 297.487 2.342 20 0 CEADMP CC(C)CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132518902 812870455 /nfs/dbraw/zinc/87/04/55/812870455.db2.gz PYZIYRDHCWBKBE-HZPDHXFCSA-N 2 1 297.487 2.342 20 0 CEADMP CC/C=C\CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001132737751 812935399 /nfs/dbraw/zinc/93/53/99/812935399.db2.gz PGIGNYIKWUDQLE-KJPDOMRESA-N 2 1 295.471 2.171 20 0 CEADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001172957340 815564839 /nfs/dbraw/zinc/56/48/39/815564839.db2.gz HNTVAUXZOGCPII-QWHCGFSZSA-N 2 1 287.448 2.159 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(C)C)C1 ZINC001133229669 813013951 /nfs/dbraw/zinc/01/39/51/813013951.db2.gz LULIPEUQSMOQJI-CVEARBPZSA-N 2 1 297.487 2.058 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]C[C@H](O)c1ccccc1F ZINC000226392646 813060814 /nfs/dbraw/zinc/06/08/14/813060814.db2.gz JBSPDYHXEJXKKY-HNNXBMFYSA-N 2 1 268.376 2.179 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H](O)c1ccccc1F ZINC000226392646 813060819 /nfs/dbraw/zinc/06/08/19/813060819.db2.gz JBSPDYHXEJXKKY-HNNXBMFYSA-N 2 1 268.376 2.179 20 0 CEADMP CCCOC1CCC([NH2+]C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001173091779 815574568 /nfs/dbraw/zinc/57/45/68/815574568.db2.gz ZMTQLWHZTDEXQK-WLYUNCDWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000382679773 813091689 /nfs/dbraw/zinc/09/16/89/813091689.db2.gz AZBWTXKKLBGWEF-NXHRZFHOSA-N 2 1 287.451 2.320 20 0 CEADMP CC[NH+](CC)C1CCC([NH2+]CCCN(C)C)CC1 ZINC001173103384 815580118 /nfs/dbraw/zinc/58/01/18/815580118.db2.gz ANWXBOYARANMCZ-UHFFFAOYSA-N 2 1 255.450 2.181 20 0 CEADMP C[C@@H](COCc1ccccc1)C[N@H+]1CCC[NH2+]CC1 ZINC000390117153 813258652 /nfs/dbraw/zinc/25/86/52/813258652.db2.gz CUJOIPIGBAEOCS-OAHLLOKOSA-N 2 1 262.397 2.135 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134574042 813294031 /nfs/dbraw/zinc/29/40/31/813294031.db2.gz KHSZYJFVABENQQ-UHFFFAOYSA-N 2 1 294.443 2.293 20 0 CEADMP CC/C=C/CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134763193 813321765 /nfs/dbraw/zinc/32/17/65/813321765.db2.gz PGUILYGRSXLJFA-SQRWCISFSA-N 2 1 295.471 2.311 20 0 CEADMP CC1(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000394135617 813350337 /nfs/dbraw/zinc/35/03/37/813350337.db2.gz GZWWHJFKKVLZOX-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP CC1(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000394135617 813350344 /nfs/dbraw/zinc/35/03/44/813350344.db2.gz GZWWHJFKKVLZOX-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(C)C ZINC001135007005 813352066 /nfs/dbraw/zinc/35/20/66/813352066.db2.gz BQBVOPWDNPHSSM-KBPBESRZSA-N 2 1 294.443 2.111 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CC1 ZINC001170784791 813353470 /nfs/dbraw/zinc/35/34/70/813353470.db2.gz LFUIKRSNELPYQE-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@@H](C[C@H](C)[NH2+]CC1CC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135477091 813446364 /nfs/dbraw/zinc/44/63/64/813446364.db2.gz QQKWIOXEQQAAQF-KBPBESRZSA-N 2 1 297.487 2.247 20 0 CEADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072072361 813540261 /nfs/dbraw/zinc/54/02/61/813540261.db2.gz JCLULOVIWBLVDK-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860390 813548986 /nfs/dbraw/zinc/54/89/86/813548986.db2.gz AZFQDYIKERJODZ-CABCVRRESA-N 2 1 285.476 2.391 20 0 CEADMP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135980935 813577301 /nfs/dbraw/zinc/57/73/01/813577301.db2.gz VBTZUWMZHKEZJQ-GJZGRUSLSA-N 2 1 285.476 2.391 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000396689752 813579784 /nfs/dbraw/zinc/57/97/84/813579784.db2.gz BQILEKXQMXKXOE-ZIAGYGMSSA-N 2 1 272.396 2.157 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000396702787 813580517 /nfs/dbraw/zinc/58/05/17/813580517.db2.gz HPTPVXLDBZVYRB-GOEBONIOSA-N 2 1 273.424 2.169 20 0 CEADMP CCCOC1CCC([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246085206 813677235 /nfs/dbraw/zinc/67/72/35/813677235.db2.gz PNNQUYNTHGEWSZ-LQULJDIASA-N 2 1 254.418 2.454 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCNCC2)CC(C)(C)C1 ZINC001246090724 813678439 /nfs/dbraw/zinc/67/84/39/813678439.db2.gz YMWMAVOLCBLLKP-JKSUJKDBSA-N 2 1 281.488 2.476 20 0 CEADMP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1C[NH2+]C[C@@H]1C ZINC001246105373 813698156 /nfs/dbraw/zinc/69/81/56/813698156.db2.gz BCSOHNLTIHPGEV-WDMOLILDSA-N 2 1 252.789 2.469 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CCC1CC1 ZINC001159907623 813704498 /nfs/dbraw/zinc/70/44/98/813704498.db2.gz BVLCQOBOEKQYFN-INIZCTEOSA-N 2 1 295.471 2.145 20 0 CEADMP CC1(C)CC[C@H]([NH2+][C@H]2CCCC[C@@]23C[NH2+]CCO3)C1 ZINC001246161566 813715819 /nfs/dbraw/zinc/71/58/19/813715819.db2.gz SYBHGGQAJFMIDA-OFQRWUPVSA-N 2 1 266.429 2.456 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]C(C)C)[C@@H]2C)C1 ZINC001074825988 813858438 /nfs/dbraw/zinc/85/84/38/813858438.db2.gz OXVTVXJCYQCHMB-XHSDSOJGSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]C(C)C)[C@@H]2C)C1 ZINC001074825987 813858767 /nfs/dbraw/zinc/85/87/67/813858767.db2.gz OXVTVXJCYQCHMB-JYJNAYRXSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1c(O)cccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001144118328 813958610 /nfs/dbraw/zinc/95/86/10/813958610.db2.gz SUVDGWNJRYPPGJ-INIZCTEOSA-N 2 1 260.381 2.228 20 0 CEADMP Cc1c(O)cccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001144118328 813958616 /nfs/dbraw/zinc/95/86/16/813958616.db2.gz SUVDGWNJRYPPGJ-INIZCTEOSA-N 2 1 260.381 2.228 20 0 CEADMP Cc1c(O)cccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001144118328 813958621 /nfs/dbraw/zinc/95/86/21/813958621.db2.gz SUVDGWNJRYPPGJ-INIZCTEOSA-N 2 1 260.381 2.228 20 0 CEADMP Cc1c(O)cccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001144118328 813958627 /nfs/dbraw/zinc/95/86/27/813958627.db2.gz SUVDGWNJRYPPGJ-INIZCTEOSA-N 2 1 260.381 2.228 20 0 CEADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111464059 813973571 /nfs/dbraw/zinc/97/35/71/813973571.db2.gz GJFVHDXZWDYLSR-OAGGEKHMSA-N 2 1 295.471 2.238 20 0 CEADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111464059 813973574 /nfs/dbraw/zinc/97/35/74/813973574.db2.gz GJFVHDXZWDYLSR-OAGGEKHMSA-N 2 1 295.471 2.238 20 0 CEADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111464059 813973578 /nfs/dbraw/zinc/97/35/78/813973578.db2.gz GJFVHDXZWDYLSR-OAGGEKHMSA-N 2 1 295.471 2.238 20 0 CEADMP COC(=O)CCCC[C@@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246551021 814008396 /nfs/dbraw/zinc/00/83/96/814008396.db2.gz JUPKFUOPXASCSK-UKRRQHHQSA-N 2 1 270.417 2.312 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246554538 814028322 /nfs/dbraw/zinc/02/83/22/814028322.db2.gz WGUNYQPREPRWDZ-IIAWOOMASA-N 2 1 282.428 2.312 20 0 CEADMP C[C@H]1CC[C@@H](C[NH3+])N(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001246555771 814030319 /nfs/dbraw/zinc/03/03/19/814030319.db2.gz HTKFRIRVKDTVSU-KRMXURRVSA-N 2 1 265.445 2.061 20 0 CEADMP C[C@@H]1CC[N@H+](C2CCC3(COC3)CC2)CC[C@H]1C[NH3+] ZINC001246559024 814040634 /nfs/dbraw/zinc/04/06/34/814040634.db2.gz OJXPACIFMNRUDO-KGLIPLIRSA-N 2 1 266.429 2.252 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC001246565535 814060157 /nfs/dbraw/zinc/06/01/57/814060157.db2.gz HWKQVDBBZCRFRU-XGUBFFRZSA-N 2 1 282.428 2.025 20 0 CEADMP CC(C)([NH3+])CNc1c[nH+]c2c(Br)cccn12 ZINC001171192912 814086085 /nfs/dbraw/zinc/08/60/85/814086085.db2.gz NMPFSSHOASLCNN-UHFFFAOYSA-N 2 1 283.173 2.246 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@H+](C2CCC3(CC2)OCCO3)CC1 ZINC001246577807 814130444 /nfs/dbraw/zinc/13/04/44/814130444.db2.gz PVBLZBVQXKFHIU-HNNXBMFYSA-N 2 1 282.428 2.123 20 0 CEADMP CC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001100536281 814142920 /nfs/dbraw/zinc/14/29/20/814142920.db2.gz SDNNWWZHQNZDQL-UHFFFAOYSA-N 2 1 295.471 2.145 20 0 CEADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CCO1 ZINC001246588023 814176420 /nfs/dbraw/zinc/17/64/20/814176420.db2.gz XOLVHDZEFSYGRD-ZFWWWQNUSA-N 2 1 254.418 2.395 20 0 CEADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2CCc3ncsc3C2)C1 ZINC001246592699 814184398 /nfs/dbraw/zinc/18/43/98/814184398.db2.gz LCHQWKFYQDCEAV-WFASDCNBSA-N 2 1 279.453 2.451 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH+]2CCC(F)(C[NH3+])CC2)CC1 ZINC001246624086 814222681 /nfs/dbraw/zinc/22/26/81/814222681.db2.gz FMKDDWDFJVHXGC-UHFFFAOYSA-N 3 1 271.424 2.012 20 0 CEADMP CC(C)=CC[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160867260 814257376 /nfs/dbraw/zinc/25/73/76/814257376.db2.gz FWZBTOCACPFPLF-HOTGVXAUSA-N 2 1 293.455 2.065 20 0 CEADMP CC(C)=CC[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160867261 814257474 /nfs/dbraw/zinc/25/74/74/814257474.db2.gz FWZBTOCACPFPLF-HZPDHXFCSA-N 2 1 293.455 2.065 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001146711754 814312083 /nfs/dbraw/zinc/31/20/83/814312083.db2.gz WFZMCYJNQPQJIT-HNNXBMFYSA-N 2 1 291.439 2.104 20 0 CEADMP CCCC[C@@H]1C[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246917094 814397679 /nfs/dbraw/zinc/39/76/79/814397679.db2.gz FEJIBANTOCCOCZ-CVEARBPZSA-N 2 1 279.472 2.373 20 0 CEADMP CCCC[C@@H]1CN([C@H]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246917094 814397688 /nfs/dbraw/zinc/39/76/88/814397688.db2.gz FEJIBANTOCCOCZ-CVEARBPZSA-N 2 1 279.472 2.373 20 0 CEADMP C1CC1N[C@H]1CCC[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246922599 814415914 /nfs/dbraw/zinc/41/59/14/814415914.db2.gz UZQDDEZNCKZFQB-JKSUJKDBSA-N 2 1 277.456 2.125 20 0 CEADMP C1CC1N[C@H]1CCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246922599 814415918 /nfs/dbraw/zinc/41/59/18/814415918.db2.gz UZQDDEZNCKZFQB-JKSUJKDBSA-N 2 1 277.456 2.125 20 0 CEADMP C[C@@H]1[C@@H](N)CCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246939842 814455536 /nfs/dbraw/zinc/45/55/36/814455536.db2.gz SMWNTPBAHUCRSW-HIFRSBDPSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@@H]1[C@@H]([NH3+])CCCN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246939842 814455540 /nfs/dbraw/zinc/45/55/40/814455540.db2.gz SMWNTPBAHUCRSW-HIFRSBDPSA-N 2 1 265.445 2.110 20 0 CEADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC2CCCCCC2)C1 ZINC001147884501 814509525 /nfs/dbraw/zinc/50/95/25/814509525.db2.gz DIXJOSMCEVSEMO-INIZCTEOSA-N 2 1 295.471 2.004 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693721836 814629079 /nfs/dbraw/zinc/62/90/79/814629079.db2.gz WKRVIZSDTGICQH-LJISPDSOSA-N 2 1 267.461 2.083 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712448864 814748608 /nfs/dbraw/zinc/74/86/08/814748608.db2.gz DJNKNMPSRRHUBO-UONOGXRCSA-N 2 1 252.402 2.149 20 0 CEADMP C[N@H+]1CCN(Cc2cc3c(s2)CC[NH2+]C3)CCC1(C)C ZINC000712623292 814758000 /nfs/dbraw/zinc/75/80/00/814758000.db2.gz UPERNPXCIIVLST-UHFFFAOYSA-N 2 1 293.480 2.310 20 0 CEADMP CN1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCC1(C)C ZINC000712623292 814758004 /nfs/dbraw/zinc/75/80/04/814758004.db2.gz UPERNPXCIIVLST-UHFFFAOYSA-N 2 1 293.480 2.310 20 0 CEADMP CN1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCC1(C)C ZINC000712623292 814758007 /nfs/dbraw/zinc/75/80/07/814758007.db2.gz UPERNPXCIIVLST-UHFFFAOYSA-N 2 1 293.480 2.310 20 0 CEADMP C(C[N@H+]1CC[NH2+]CCC12CCC2)[C@H]1CCCCO1 ZINC000713127062 814845315 /nfs/dbraw/zinc/84/53/15/814845315.db2.gz WLYPKPZKLNHYEQ-CQSZACIVSA-N 2 1 252.402 2.164 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)OC1 ZINC000713584958 814865244 /nfs/dbraw/zinc/86/52/44/814865244.db2.gz HOUPGUOSXIDGQX-LJISPDSOSA-N 2 1 266.429 2.251 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171397719 814874157 /nfs/dbraw/zinc/87/41/57/814874157.db2.gz SZOUFLZZEIMJGO-CQSZACIVSA-N 2 1 273.355 2.478 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)O1 ZINC000714378400 814889562 /nfs/dbraw/zinc/88/95/62/814889562.db2.gz AWKNFDRWOXAOCO-UKRRQHHQSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)CC[C@H]1[NH3+] ZINC000714369556 814900336 /nfs/dbraw/zinc/90/03/36/814900336.db2.gz WMECBEQFTFMWLQ-HZSPNIEDSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC(C)(C)O2)CC[N@H+]1C ZINC000714369538 814900364 /nfs/dbraw/zinc/90/03/64/814900364.db2.gz WEJZIQQLCVSNHU-MGPQQGTHSA-N 2 1 254.418 2.406 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000714749617 814914125 /nfs/dbraw/zinc/91/41/25/814914125.db2.gz FXEPPRNUPFMPSB-UHFFFAOYSA-N 2 1 276.380 2.161 20 0 CEADMP CCSC[C@@H](C)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001173304013 815659580 /nfs/dbraw/zinc/65/95/80/815659580.db2.gz MTAAVIJGNDSYNC-GFCCVEGCSA-N 2 1 285.457 2.258 20 0 CEADMP CCSC[C@@H](C)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001173314044 815663422 /nfs/dbraw/zinc/66/34/22/815663422.db2.gz FTGDBCCUWHFWRI-OAHLLOKOSA-N 2 1 299.528 2.087 20 0 CEADMP CC[N@H+]1CC[C@@H](n2cc(C[NH3+])c3cc(OC)ccc32)C1 ZINC001173355790 815696269 /nfs/dbraw/zinc/69/62/69/815696269.db2.gz WVDRGAZAEIGTSJ-CYBMUJFWSA-N 2 1 273.380 2.375 20 0 CEADMP CC[N@H+]1CC[C@H](NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001173356107 815697978 /nfs/dbraw/zinc/69/79/78/815697978.db2.gz FEIVQMSSQFKXRM-AEFFLSMTSA-N 2 1 291.483 2.491 20 0 CEADMP CCN1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001173356107 815697983 /nfs/dbraw/zinc/69/79/83/815697983.db2.gz FEIVQMSSQFKXRM-AEFFLSMTSA-N 2 1 291.483 2.491 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3cnc(Cl)cc23)CC[C@@H]1F ZINC001206197927 815703332 /nfs/dbraw/zinc/70/33/32/815703332.db2.gz KLFCYJILQQLBFK-NWDGAFQWSA-N 2 1 296.777 2.478 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)CC[C@@H]1F ZINC001206197927 815703336 /nfs/dbraw/zinc/70/33/36/815703336.db2.gz KLFCYJILQQLBFK-NWDGAFQWSA-N 2 1 296.777 2.478 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001173449975 815733568 /nfs/dbraw/zinc/73/35/68/815733568.db2.gz XALIBSSPUBTFEN-MELADBBJSA-N 2 1 270.417 2.038 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001173449975 815733571 /nfs/dbraw/zinc/73/35/71/815733571.db2.gz XALIBSSPUBTFEN-MELADBBJSA-N 2 1 270.417 2.038 20 0 CEADMP COC(=O)CCCC[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001173454772 815736270 /nfs/dbraw/zinc/73/62/70/815736270.db2.gz IFTOJMTZMSWTKR-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](C)C[C@@H](C)C[NH3+])CC2 ZINC001173606793 815761193 /nfs/dbraw/zinc/76/11/93/815761193.db2.gz RAKCONHXIFFGFM-PGOFDVKTSA-N 2 1 282.428 2.025 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C1 ZINC001173620142 815764104 /nfs/dbraw/zinc/76/41/04/815764104.db2.gz FFCPLLKQZDAPDT-ILXRZTDVSA-N 2 1 282.428 2.182 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173623348 815767035 /nfs/dbraw/zinc/76/70/35/815767035.db2.gz SAFITYJNDOUPJY-KGLIPLIRSA-N 2 1 270.417 2.169 20 0 CEADMP CN(C)c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)s1 ZINC001138493680 815814322 /nfs/dbraw/zinc/81/43/22/815814322.db2.gz TUEKBNZUBHDZIM-HNNXBMFYSA-N 2 1 279.453 2.342 20 0 CEADMP CN(C)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)s1 ZINC001138493680 815814329 /nfs/dbraw/zinc/81/43/29/815814329.db2.gz TUEKBNZUBHDZIM-HNNXBMFYSA-N 2 1 279.453 2.342 20 0 CEADMP CN(C)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)s1 ZINC001138493680 815814335 /nfs/dbraw/zinc/81/43/35/815814335.db2.gz TUEKBNZUBHDZIM-HNNXBMFYSA-N 2 1 279.453 2.342 20 0 CEADMP CN(C)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)s1 ZINC001138493680 815814339 /nfs/dbraw/zinc/81/43/39/815814339.db2.gz TUEKBNZUBHDZIM-HNNXBMFYSA-N 2 1 279.453 2.342 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC001138542299 815823242 /nfs/dbraw/zinc/82/32/42/815823242.db2.gz CIMVVZOTLBASGO-MRXNPFEDSA-N 2 1 285.391 2.385 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC001138542299 815823251 /nfs/dbraw/zinc/82/32/51/815823251.db2.gz CIMVVZOTLBASGO-MRXNPFEDSA-N 2 1 285.391 2.385 20 0 CEADMP CN1CCC([N@H+](C)Cc2c[nH]nc2C(C)(C)C)CC1 ZINC001138575894 815832830 /nfs/dbraw/zinc/83/28/30/815832830.db2.gz BUABKRMQAQYNEG-UHFFFAOYSA-N 2 1 264.417 2.233 20 0 CEADMP CN1CCC([N@@H+](C)Cc2c[nH]nc2C(C)(C)C)CC1 ZINC001138575894 815832837 /nfs/dbraw/zinc/83/28/37/815832837.db2.gz BUABKRMQAQYNEG-UHFFFAOYSA-N 2 1 264.417 2.233 20 0 CEADMP CSc1ccc(C[NH+]2CCN(CC[NH+](C)C)CC2)cc1 ZINC001204139690 815937510 /nfs/dbraw/zinc/93/75/10/815937510.db2.gz QIBVRTXZKASARI-UHFFFAOYSA-N 2 1 293.480 2.088 20 0 CEADMP CC[C@H](C)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139321651 816003911 /nfs/dbraw/zinc/00/39/11/816003911.db2.gz JJHRERQAEOLCLS-LBPRGKRZSA-N 2 1 282.457 2.125 20 0 CEADMP CC[C@H](C)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139321651 816003920 /nfs/dbraw/zinc/00/39/20/816003920.db2.gz JJHRERQAEOLCLS-LBPRGKRZSA-N 2 1 282.457 2.125 20 0 CEADMP CN(Cc1ccnnc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139983870 816157243 /nfs/dbraw/zinc/15/72/43/816157243.db2.gz OADLSZDOMNHRTQ-GOSISDBHSA-N 2 1 296.418 2.431 20 0 CEADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175262603 816164172 /nfs/dbraw/zinc/16/41/72/816164172.db2.gz IHGUUAYJLAEZRL-HUUCEWRRSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175263011 816164516 /nfs/dbraw/zinc/16/45/16/816164516.db2.gz NCNLARWQUJELGF-CABCVRRESA-N 2 1 295.471 2.003 20 0 CEADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C)c(OC)c3)C[C@@H]2C1 ZINC001140161675 816202802 /nfs/dbraw/zinc/20/28/02/816202802.db2.gz QEKCAQDKBLLJFL-HOTGVXAUSA-N 2 1 274.408 2.387 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4cccc(O)c34)C[C@@H]2C1 ZINC001140233490 816212734 /nfs/dbraw/zinc/21/27/34/816212734.db2.gz FCJKZMAKPNWBGC-OCCSQVGLSA-N 2 1 285.391 2.257 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c[nH]c4cccc(O)c34)C[C@@H]2C1 ZINC001140233490 816212737 /nfs/dbraw/zinc/21/27/37/816212737.db2.gz FCJKZMAKPNWBGC-OCCSQVGLSA-N 2 1 285.391 2.257 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c[nH]c4cccc(O)c34)C[C@@H]2C1 ZINC001140233490 816212739 /nfs/dbraw/zinc/21/27/39/816212739.db2.gz FCJKZMAKPNWBGC-OCCSQVGLSA-N 2 1 285.391 2.257 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]C(C)C ZINC001176023890 816326659 /nfs/dbraw/zinc/32/66/59/816326659.db2.gz LHGRIDPJSGELHK-AWEZNQCLSA-N 2 1 271.449 2.001 20 0 CEADMP CC[N@@H+]1CCN(Cc2c[nH]c3cc[nH+]cc23)C[C@H]1C ZINC001140806515 816369075 /nfs/dbraw/zinc/36/90/75/816369075.db2.gz LNAJYJSJWQCAJR-GFCCVEGCSA-N 2 1 258.369 2.089 20 0 CEADMP CC[N@H+]1CCN(Cc2c[nH]c3cc[nH+]cc23)C[C@H]1C ZINC001140806515 816369083 /nfs/dbraw/zinc/36/90/83/816369083.db2.gz LNAJYJSJWQCAJR-GFCCVEGCSA-N 2 1 258.369 2.089 20 0 CEADMP COC(=O)CC[C@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140807180 816370137 /nfs/dbraw/zinc/37/01/37/816370137.db2.gz PORJSZARJZJTAQ-LBPRGKRZSA-N 2 1 287.363 2.338 20 0 CEADMP COC(=O)CC[C@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140807180 816370141 /nfs/dbraw/zinc/37/01/41/816370141.db2.gz PORJSZARJZJTAQ-LBPRGKRZSA-N 2 1 287.363 2.338 20 0 CEADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cn[nH]c1 ZINC001203096896 816480374 /nfs/dbraw/zinc/48/03/74/816480374.db2.gz NTUFVJVZIUCRAY-GJZGRUSLSA-N 2 1 262.401 2.249 20 0 CEADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cn[nH]c1 ZINC001203096896 816480375 /nfs/dbraw/zinc/48/03/75/816480375.db2.gz NTUFVJVZIUCRAY-GJZGRUSLSA-N 2 1 262.401 2.249 20 0 CEADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cn[nH]c1 ZINC001203096896 816480376 /nfs/dbraw/zinc/48/03/76/816480376.db2.gz NTUFVJVZIUCRAY-GJZGRUSLSA-N 2 1 262.401 2.249 20 0 CEADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cn[nH]c1 ZINC001203096896 816480377 /nfs/dbraw/zinc/48/03/77/816480377.db2.gz NTUFVJVZIUCRAY-GJZGRUSLSA-N 2 1 262.401 2.249 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ncccn4)cc3)C[C@@H]2C1 ZINC001141187450 816500884 /nfs/dbraw/zinc/50/08/84/816500884.db2.gz HTCKNQVOPBWBRD-CALCHBBNSA-N 2 1 294.402 2.137 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ncccn4)cc3)C[C@@H]2C1 ZINC001141187450 816500887 /nfs/dbraw/zinc/50/08/87/816500887.db2.gz HTCKNQVOPBWBRD-CALCHBBNSA-N 2 1 294.402 2.137 20 0 CEADMP CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203103557 816500961 /nfs/dbraw/zinc/50/09/61/816500961.db2.gz LKPBGRQQBWYVNQ-UONOGXRCSA-N 2 1 295.471 2.144 20 0 CEADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(N(C)C)c3)C[C@@H]2C1 ZINC001141270033 816515907 /nfs/dbraw/zinc/51/59/07/816515907.db2.gz DJIUUOQVRWZFCY-IYBDPMFKSA-N 2 1 273.424 2.136 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(N(C)C)c3)C[C@@H]2C1 ZINC001141270033 816515913 /nfs/dbraw/zinc/51/59/13/816515913.db2.gz DJIUUOQVRWZFCY-IYBDPMFKSA-N 2 1 273.424 2.136 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(N(C)C)c3)C[C@@H]2C1 ZINC001141270033 816515920 /nfs/dbraw/zinc/51/59/20/816515920.db2.gz DJIUUOQVRWZFCY-IYBDPMFKSA-N 2 1 273.424 2.136 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(N(C)C)c3)C[C@@H]2C1 ZINC001141270033 816515926 /nfs/dbraw/zinc/51/59/26/816515926.db2.gz DJIUUOQVRWZFCY-IYBDPMFKSA-N 2 1 273.424 2.136 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](CCOC(=O)c2ccccc2)CC1 ZINC001206297662 816540317 /nfs/dbraw/zinc/54/03/17/816540317.db2.gz ZQLYKWUXELEAEA-KRWDZBQOSA-N 2 1 290.407 2.294 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cn1 ZINC001206305073 816571880 /nfs/dbraw/zinc/57/18/80/816571880.db2.gz SMSPEFCFCCAUFY-HNNXBMFYSA-N 2 1 264.417 2.415 20 0 CEADMP CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045404 816663746 /nfs/dbraw/zinc/66/37/46/816663746.db2.gz KKFLUDWWRHTMNF-OAHLLOKOSA-N 2 1 283.460 2.147 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178483471 816752744 /nfs/dbraw/zinc/75/27/44/816752744.db2.gz BCQDSWAVCAPJBU-JKSUJKDBSA-N 2 1 295.471 2.147 20 0 CEADMP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)cc(OC)c3)C[C@@H]2C1 ZINC001143163942 816795986 /nfs/dbraw/zinc/79/59/86/816795986.db2.gz PQJZCABASBENBM-HOTGVXAUSA-N 2 1 274.408 2.387 20 0 CEADMP CCC[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001178853730 816804015 /nfs/dbraw/zinc/80/40/15/816804015.db2.gz PYXSLSWYKVAJHH-UHFFFAOYSA-N 2 1 285.476 2.393 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CCC1CCCC1 ZINC001161226617 816818520 /nfs/dbraw/zinc/81/85/20/816818520.db2.gz LILMPTFYSUYJNW-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001179233814 816843600 /nfs/dbraw/zinc/84/36/00/816843600.db2.gz CQHSYDQTUSPTEA-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1nc(CC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cs1 ZINC000124326316 187132836 /nfs/dbraw/zinc/13/28/36/187132836.db2.gz ROJOSXMCMVKSBL-ZDUSSCGKSA-N 2 1 267.442 2.268 20 0 CEADMP Cc1nc(CC[N@H+](C)C[C@H]2CCC[NH+](C)C2)cs1 ZINC000124326316 187132837 /nfs/dbraw/zinc/13/28/37/187132837.db2.gz ROJOSXMCMVKSBL-ZDUSSCGKSA-N 2 1 267.442 2.268 20 0 CEADMP Cc1nc(CC[NH+](C)C[C@H]2CCC[N@H+](C)C2)cs1 ZINC000124326316 187132838 /nfs/dbraw/zinc/13/28/38/187132838.db2.gz ROJOSXMCMVKSBL-ZDUSSCGKSA-N 2 1 267.442 2.268 20 0 CEADMP Cc1nc(CC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cs1 ZINC000124326316 187132839 /nfs/dbraw/zinc/13/28/39/187132839.db2.gz ROJOSXMCMVKSBL-ZDUSSCGKSA-N 2 1 267.442 2.268 20 0 CEADMP COCC[C@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000337409850 214061965 /nfs/dbraw/zinc/06/19/65/214061965.db2.gz VKJCYZSICSHICD-CABCVRRESA-N 2 1 265.401 2.376 20 0 CEADMP COCC[C@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000337409853 214062994 /nfs/dbraw/zinc/06/29/94/214062994.db2.gz VKJCYZSICSHICD-HUUCEWRRSA-N 2 1 265.401 2.376 20 0 CEADMP CCn1nnc(C)c1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000449081947 282092834 /nfs/dbraw/zinc/09/28/34/282092834.db2.gz JDQAKTJOTHDGDD-AWEZNQCLSA-N 2 1 293.459 2.208 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000449087170 282094783 /nfs/dbraw/zinc/09/47/83/282094783.db2.gz UQRWIYBZTRCPAB-LSDHHAIUSA-N 2 1 283.460 2.145 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000346570874 282098252 /nfs/dbraw/zinc/09/82/52/282098252.db2.gz QCFFHOWGDMDMAM-MRXNPFEDSA-N 2 1 281.488 2.428 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000336292208 365547763 /nfs/dbraw/zinc/54/77/63/365547763.db2.gz MHAXQLRJAUFPMI-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121642189 365597330 /nfs/dbraw/zinc/59/73/30/365597330.db2.gz WHTKVHVADONZHR-XQLPTFJDSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121642189 365597338 /nfs/dbraw/zinc/59/73/38/365597338.db2.gz WHTKVHVADONZHR-XQLPTFJDSA-N 2 1 266.429 2.264 20 0 CEADMP CCOC1CC([NH2+]CCC[N@H+]2CCCC[C@H]2C)C1 ZINC000124768429 187153841 /nfs/dbraw/zinc/15/38/41/187153841.db2.gz FUOKHJWJZDCSMI-WLYUNCDWSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000122764733 365630619 /nfs/dbraw/zinc/63/06/19/365630619.db2.gz XHKXJXZWNMWRHE-MAUKXSAKSA-N 2 1 288.435 2.449 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000122764733 365630625 /nfs/dbraw/zinc/63/06/25/365630625.db2.gz XHKXJXZWNMWRHE-MAUKXSAKSA-N 2 1 288.435 2.449 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000336551576 365634451 /nfs/dbraw/zinc/63/44/51/365634451.db2.gz XBZSHEFHYJOSQV-OAHLLOKOSA-N 2 1 277.412 2.455 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCC1 ZINC000449149674 282120482 /nfs/dbraw/zinc/12/04/82/282120482.db2.gz OJBJURGOVDUHRB-HOTGVXAUSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000336561935 365647475 /nfs/dbraw/zinc/64/74/75/365647475.db2.gz WLUMFYVPFKWOEE-CVEARBPZSA-N 2 1 294.826 2.374 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000336561935 365647483 /nfs/dbraw/zinc/64/74/83/365647483.db2.gz WLUMFYVPFKWOEE-CVEARBPZSA-N 2 1 294.826 2.374 20 0 CEADMP COc1c(C)cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000336566590 365654613 /nfs/dbraw/zinc/65/46/13/365654613.db2.gz IWJODMRKKSOHMX-JKSUJKDBSA-N 2 1 274.408 2.496 20 0 CEADMP COc1c(C)cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000336566590 365654616 /nfs/dbraw/zinc/65/46/16/365654616.db2.gz IWJODMRKKSOHMX-JKSUJKDBSA-N 2 1 274.408 2.496 20 0 CEADMP CCOC(=O)c1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)[nH]c1C ZINC000449175171 282130985 /nfs/dbraw/zinc/13/09/85/282130985.db2.gz QPXMYFFURRPYJK-WCQYABFASA-N 2 1 293.411 2.072 20 0 CEADMP CCOC(=O)c1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[nH]c1C ZINC000449175171 282130986 /nfs/dbraw/zinc/13/09/86/282130986.db2.gz QPXMYFFURRPYJK-WCQYABFASA-N 2 1 293.411 2.072 20 0 CEADMP CCOC(=O)c1cc(C[NH2+]CCC[NH+]2CCCC2)[nH]c1C ZINC000449218797 282146031 /nfs/dbraw/zinc/14/60/31/282146031.db2.gz KVPUAHUWLFDLBR-UHFFFAOYSA-N 2 1 293.411 2.075 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000037644631 361917674 /nfs/dbraw/zinc/91/76/74/361917674.db2.gz VCORRUJJUTWUOT-CYBMUJFWSA-N 2 1 264.417 2.070 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000037644631 361917678 /nfs/dbraw/zinc/91/76/78/361917678.db2.gz VCORRUJJUTWUOT-CYBMUJFWSA-N 2 1 264.417 2.070 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000037644551 361917967 /nfs/dbraw/zinc/91/79/67/361917967.db2.gz XPFQQSTUGPOIHR-RHSMWYFYSA-N 2 1 258.409 2.475 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ncc(Cl)s1 ZINC000337944820 214323434 /nfs/dbraw/zinc/32/34/34/214323434.db2.gz CWIWAUIYOVASJL-UHFFFAOYSA-N 2 1 270.789 2.481 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000037825994 361950700 /nfs/dbraw/zinc/95/07/00/361950700.db2.gz UCOFBKBJNODJIX-MRXNPFEDSA-N 2 1 297.487 2.474 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000125489870 187187644 /nfs/dbraw/zinc/18/76/44/187187644.db2.gz HMXKRKAWRDQECX-INIZCTEOSA-N 2 1 262.397 2.217 20 0 CEADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000449244046 282156435 /nfs/dbraw/zinc/15/64/35/282156435.db2.gz PGHCZNBZMRPDBA-OAGGEKHMSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000449244046 282156439 /nfs/dbraw/zinc/15/64/39/282156439.db2.gz PGHCZNBZMRPDBA-OAGGEKHMSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000449244047 282156520 /nfs/dbraw/zinc/15/65/20/282156520.db2.gz PGHCZNBZMRPDBA-OWCLPIDISA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000449244047 282156523 /nfs/dbraw/zinc/15/65/23/282156523.db2.gz PGHCZNBZMRPDBA-OWCLPIDISA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000449244045 282156573 /nfs/dbraw/zinc/15/65/73/282156573.db2.gz PGHCZNBZMRPDBA-BZUAXINKSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000449244045 282156576 /nfs/dbraw/zinc/15/65/76/282156576.db2.gz PGHCZNBZMRPDBA-BZUAXINKSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000449251146 282158713 /nfs/dbraw/zinc/15/87/13/282158713.db2.gz NHSLVHPLQFQHIJ-UHFFFAOYSA-N 2 1 274.412 2.350 20 0 CEADMP C[C@@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000338002905 214353960 /nfs/dbraw/zinc/35/39/60/214353960.db2.gz SPIDQIHSIOARRZ-UGUYLWEFSA-N 2 1 295.471 2.238 20 0 CEADMP COC[C@@H](CC(C)C)[NH2+]CCCn1cc[nH+]c1C ZINC000338005898 214355184 /nfs/dbraw/zinc/35/51/84/214355184.db2.gz BZXJJVGAMQBDPF-CQSZACIVSA-N 2 1 253.390 2.232 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621666387 349655664 /nfs/dbraw/zinc/65/56/64/349655664.db2.gz OBCHGRMRYXHCLA-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000449318505 282186402 /nfs/dbraw/zinc/18/64/02/282186402.db2.gz GRSMQLLSDFUKIC-LVQVYYBASA-N 2 1 295.471 2.131 20 0 CEADMP C[N@@H+](CCNC(=O)C[C@H]1CCCC[C@H]1[NH3+])C1CCCCC1 ZINC000449320945 282186849 /nfs/dbraw/zinc/18/68/49/282186849.db2.gz QEILPHHXSNIBNH-GDBMZVCRSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@@]12COC[C@H]1C[N@@H+](Cc1cc(-n3ccnc3)cs1)C2 ZINC000668597227 539207977 /nfs/dbraw/zinc/20/79/77/539207977.db2.gz SAMURLCIWGXMSA-IUODEOHRSA-N 2 1 289.404 2.402 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000621783013 349702167 /nfs/dbraw/zinc/70/21/67/349702167.db2.gz WCBPKLFYLIRRQE-RDJZCZTQSA-N 2 1 282.391 2.186 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000621783013 349702170 /nfs/dbraw/zinc/70/21/70/349702170.db2.gz WCBPKLFYLIRRQE-RDJZCZTQSA-N 2 1 282.391 2.186 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449347662 282195442 /nfs/dbraw/zinc/19/54/42/282195442.db2.gz DCGYAAMVSKPRAK-XHSDSOJGSA-N 2 1 295.471 2.275 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1cc(-n3ccnc3)cs1)C2 ZINC000622004570 349764911 /nfs/dbraw/zinc/76/49/11/349764911.db2.gz QPICJSOXUOVFSD-SWLSCSKDSA-N 2 1 288.420 2.247 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1cc(-n3ccnc3)cs1)C2 ZINC000622004570 349764914 /nfs/dbraw/zinc/76/49/14/349764914.db2.gz QPICJSOXUOVFSD-SWLSCSKDSA-N 2 1 288.420 2.247 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000305707441 282206242 /nfs/dbraw/zinc/20/62/42/282206242.db2.gz DGAUBONXJABXLA-QGZVFWFLSA-N 2 1 285.391 2.005 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)O1 ZINC000227081198 539269627 /nfs/dbraw/zinc/26/96/27/539269627.db2.gz MOEPWLWJLULBTJ-TUVASFSCSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1nccnc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414194706 282220589 /nfs/dbraw/zinc/22/05/89/282220589.db2.gz UPEAPIOBXHPDMG-OCCSQVGLSA-N 2 1 262.401 2.168 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)OC ZINC000449404550 282222544 /nfs/dbraw/zinc/22/25/44/282222544.db2.gz VBUGXJHYTGTSNC-YJNKXOJESA-N 2 1 256.434 2.367 20 0 CEADMP Cc1cc(N(C)[C@@H](C)C2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000436425878 539302136 /nfs/dbraw/zinc/30/21/36/539302136.db2.gz AYOCZXDXTQJGFJ-LBPRGKRZSA-N 2 1 262.401 2.260 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCO[C@H]2CCCCO2)CC1 ZINC000338351637 282256407 /nfs/dbraw/zinc/25/64/07/282256407.db2.gz GFWDUZLUHORJEQ-HOTGVXAUSA-N 2 1 284.444 2.336 20 0 CEADMP Cc1cc(N2CC[N@H+](C3CC3)C[C@@H](C)C2)nc(C)n1 ZINC000295030109 539314185 /nfs/dbraw/zinc/31/41/85/539314185.db2.gz VVCYQPXKLXULHN-LLVKDONJSA-N 2 1 260.385 2.014 20 0 CEADMP C[C@H](C[NH3+])CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654613 365751366 /nfs/dbraw/zinc/75/13/66/365751366.db2.gz CLKDKOVUZPYWQP-VYDXJSESSA-N 2 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654613 365751371 /nfs/dbraw/zinc/75/13/71/365751371.db2.gz CLKDKOVUZPYWQP-VYDXJSESSA-N 3 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654613 365751376 /nfs/dbraw/zinc/75/13/76/365751376.db2.gz CLKDKOVUZPYWQP-VYDXJSESSA-N 3 1 275.440 2.081 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCOCc3ccccc3)C[C@H]12 ZINC000336657401 365751554 /nfs/dbraw/zinc/75/15/54/365751554.db2.gz RKFVHRFCOVCZFJ-YESZJQIVSA-N 2 1 274.408 2.262 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000048750370 343532398 /nfs/dbraw/zinc/53/23/98/343532398.db2.gz OZJJCUVRXHRGSV-UHFFFAOYSA-N 2 1 286.379 2.330 20 0 CEADMP C[N@@H+](C[C@H]1CCC(C)(C)O1)C[C@H]1CCC[NH+](C)C1 ZINC000336691977 365761880 /nfs/dbraw/zinc/76/18/80/365761880.db2.gz BGVIFIZSQBUTFI-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+](C[C@H]1CCC(C)(C)O1)C[C@H]1CCC[N@H+](C)C1 ZINC000336691977 365761887 /nfs/dbraw/zinc/76/18/87/365761887.db2.gz BGVIFIZSQBUTFI-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+](C[C@H]1CCC(C)(C)O1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336691977 365761892 /nfs/dbraw/zinc/76/18/92/365761892.db2.gz BGVIFIZSQBUTFI-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCOCc1ccccc1 ZINC000336703044 365767546 /nfs/dbraw/zinc/76/75/46/365767546.db2.gz FUXDLQPQKGGGGO-INIZCTEOSA-N 2 1 262.397 2.277 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCOCc1ccccc1 ZINC000336703044 365767550 /nfs/dbraw/zinc/76/75/50/365767550.db2.gz FUXDLQPQKGGGGO-INIZCTEOSA-N 2 1 262.397 2.277 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000298363520 539328253 /nfs/dbraw/zinc/32/82/53/539328253.db2.gz KIBWXBXWFMTBHA-UHFFFAOYSA-N 2 1 259.328 2.381 20 0 CEADMP C[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1C ZINC000667693682 539356687 /nfs/dbraw/zinc/35/66/87/539356687.db2.gz SASHVYYTSWEIHV-STQMWFEESA-N 2 1 256.353 2.498 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1C ZINC000667693682 539356693 /nfs/dbraw/zinc/35/66/93/539356693.db2.gz SASHVYYTSWEIHV-STQMWFEESA-N 2 1 256.353 2.498 20 0 CEADMP CC(C)[NH+](CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)C(C)C ZINC000081117553 344039971 /nfs/dbraw/zinc/03/99/71/344039971.db2.gz YUXBHFVCPJJFMX-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)COCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000336783626 365799642 /nfs/dbraw/zinc/79/96/42/365799642.db2.gz CQNMKKSCHJVBGZ-OAHLLOKOSA-N 2 1 256.434 2.465 20 0 CEADMP CC(C)COCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000336783626 365799647 /nfs/dbraw/zinc/79/96/47/365799647.db2.gz CQNMKKSCHJVBGZ-OAHLLOKOSA-N 2 1 256.434 2.465 20 0 CEADMP CC(C)COCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000336783626 365799650 /nfs/dbraw/zinc/79/96/50/365799650.db2.gz CQNMKKSCHJVBGZ-OAHLLOKOSA-N 2 1 256.434 2.465 20 0 CEADMP C[N@H+](CCc1cncs1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000411718328 529938286 /nfs/dbraw/zinc/93/82/86/529938286.db2.gz KNEVSZVUYBRCJQ-FUNVUKJBSA-N 2 1 265.426 2.243 20 0 CEADMP C[N@@H+](CCc1cncs1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000411718328 529938287 /nfs/dbraw/zinc/93/82/87/529938287.db2.gz KNEVSZVUYBRCJQ-FUNVUKJBSA-N 2 1 265.426 2.243 20 0 CEADMP C[NH+](CCc1cncs1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000411718328 529938288 /nfs/dbraw/zinc/93/82/88/529938288.db2.gz KNEVSZVUYBRCJQ-FUNVUKJBSA-N 2 1 265.426 2.243 20 0 CEADMP C[NH+](CCc1cncs1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000411718328 529938289 /nfs/dbraw/zinc/93/82/89/529938289.db2.gz KNEVSZVUYBRCJQ-FUNVUKJBSA-N 2 1 265.426 2.243 20 0 CEADMP CC(C)COCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000336783626 365799653 /nfs/dbraw/zinc/79/96/53/365799653.db2.gz CQNMKKSCHJVBGZ-OAHLLOKOSA-N 2 1 256.434 2.465 20 0 CEADMP C[N@@H+](C[C@@H](O)CC1CCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000354858249 529941691 /nfs/dbraw/zinc/94/16/91/529941691.db2.gz SKFREKWDFBKHPJ-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+](C[C@@H](O)CC1CCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000354858249 529941692 /nfs/dbraw/zinc/94/16/92/529941692.db2.gz SKFREKWDFBKHPJ-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+](C[C@@H](O)CC1CCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000354858249 529941694 /nfs/dbraw/zinc/94/16/94/529941694.db2.gz SKFREKWDFBKHPJ-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP C[C@@H](CNc1nc(N(C)C)cc[nH+]1)C[NH+]1CCCCC1 ZINC000091454635 344163862 /nfs/dbraw/zinc/16/38/62/344163862.db2.gz OXEFLKFWKPWSCC-ZDUSSCGKSA-N 2 1 277.416 2.077 20 0 CEADMP Clc1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000090409174 344139064 /nfs/dbraw/zinc/13/90/64/344139064.db2.gz MNKLGZUEPAHROF-ZIAGYGMSSA-N 2 1 295.814 2.330 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000090544125 344141149 /nfs/dbraw/zinc/14/11/49/344141149.db2.gz NDXWCUFNJGTWTM-UGUYLWEFSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](CO)C1 ZINC000092764206 344203045 /nfs/dbraw/zinc/20/30/45/344203045.db2.gz PUSALMWZNDOPBI-QGZVFWFLSA-N 2 1 290.451 2.459 20 0 CEADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](CO)C1 ZINC000092764206 344203046 /nfs/dbraw/zinc/20/30/46/344203046.db2.gz PUSALMWZNDOPBI-QGZVFWFLSA-N 2 1 290.451 2.459 20 0 CEADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](CO)C1 ZINC000092764206 344203047 /nfs/dbraw/zinc/20/30/47/344203047.db2.gz PUSALMWZNDOPBI-QGZVFWFLSA-N 2 1 290.451 2.459 20 0 CEADMP Cc1ccc(F)c(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000116916611 344287918 /nfs/dbraw/zinc/28/79/18/344287918.db2.gz NXIRLTWHLGGTFI-UHFFFAOYSA-N 2 1 293.430 2.251 20 0 CEADMP COc1ccc(OC)c(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000131473352 344358174 /nfs/dbraw/zinc/35/81/74/344358174.db2.gz FTKDFROYEGLHJT-YPMHNXCESA-N 2 1 264.369 2.015 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000131473352 344358176 /nfs/dbraw/zinc/35/81/76/344358176.db2.gz FTKDFROYEGLHJT-YPMHNXCESA-N 2 1 264.369 2.015 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCS1 ZINC000137208274 344387192 /nfs/dbraw/zinc/38/71/92/344387192.db2.gz FVLDTWKDLVZZLW-GFCCVEGCSA-N 2 1 262.422 2.270 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H](C)C1 ZINC000449716568 282340073 /nfs/dbraw/zinc/34/00/73/282340073.db2.gz CXRYAYAWOLXTKT-QWHCGFSZSA-N 2 1 256.434 2.103 20 0 CEADMP CCCCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000051708986 362434357 /nfs/dbraw/zinc/43/43/57/362434357.db2.gz HLGUNXCJOGVYHE-UHFFFAOYSA-N 2 1 297.487 2.488 20 0 CEADMP COC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000234861846 344587492 /nfs/dbraw/zinc/58/74/92/344587492.db2.gz GYUPOSCWFZYMFH-OAHLLOKOSA-N 2 1 274.408 2.191 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(C)C)CC1 ZINC000311005665 344732603 /nfs/dbraw/zinc/73/26/03/344732603.db2.gz JCULPROGYWGDBJ-CABCVRRESA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000311005665 344732604 /nfs/dbraw/zinc/73/26/04/344732604.db2.gz JCULPROGYWGDBJ-CABCVRRESA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000311005665 344732605 /nfs/dbraw/zinc/73/26/05/344732605.db2.gz JCULPROGYWGDBJ-CABCVRRESA-N 2 1 256.434 2.057 20 0 CEADMP CCCC1CCC([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000398986824 344856438 /nfs/dbraw/zinc/85/64/38/344856438.db2.gz HVAQJWAPQHHAQM-UHFFFAOYSA-N 2 1 268.445 2.392 20 0 CEADMP C1CC1[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CO1 ZINC000668095424 539413623 /nfs/dbraw/zinc/41/36/23/539413623.db2.gz IVYYJSQSYIQEEU-KNIAUWFNSA-N 2 1 264.413 2.160 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449107086 260220865 /nfs/dbraw/zinc/22/08/65/260220865.db2.gz OBRLRJJTMHSMFB-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP CC[NH2+]CCCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584834063 344991259 /nfs/dbraw/zinc/99/12/59/344991259.db2.gz RGKRLVMTYBWLTJ-FUHWJXTLSA-N 2 1 289.467 2.486 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584834063 344991262 /nfs/dbraw/zinc/99/12/62/344991262.db2.gz RGKRLVMTYBWLTJ-FUHWJXTLSA-N 3 1 289.467 2.486 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584834063 344991263 /nfs/dbraw/zinc/99/12/63/344991263.db2.gz RGKRLVMTYBWLTJ-FUHWJXTLSA-N 3 1 289.467 2.486 20 0 CEADMP CSC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000589169347 345068573 /nfs/dbraw/zinc/06/85/73/345068573.db2.gz JRFSEOBNCNTLRH-CQSZACIVSA-N 2 1 284.469 2.115 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CC(C)C ZINC000568165327 299117865 /nfs/dbraw/zinc/11/78/65/299117865.db2.gz LAYVZWRFISTEBI-HUUCEWRRSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC(C)C ZINC000568165327 299117867 /nfs/dbraw/zinc/11/78/67/299117867.db2.gz LAYVZWRFISTEBI-HUUCEWRRSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CC(C)C ZINC000568165327 299117870 /nfs/dbraw/zinc/11/78/70/299117870.db2.gz LAYVZWRFISTEBI-HUUCEWRRSA-N 2 1 256.434 2.200 20 0 CEADMP c1cn([C@H]2CCC[N@H+](CCc3ccncc3)C2)cn1 ZINC000591866849 345289703 /nfs/dbraw/zinc/28/97/03/345289703.db2.gz HONJGSTVUZWKJT-HNNXBMFYSA-N 2 1 256.353 2.158 20 0 CEADMP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000592493467 345360414 /nfs/dbraw/zinc/36/04/14/345360414.db2.gz QOBFPQBTUBNLAW-OAGGEKHMSA-N 2 1 294.439 2.040 20 0 CEADMP CCOc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1F ZINC000623086116 349933456 /nfs/dbraw/zinc/93/34/56/349933456.db2.gz XVXFIRCEJHNUHD-UHFFFAOYSA-N 2 1 277.343 2.290 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](CC(=O)OC(C)C)C(C)C)CC1 ZINC000594625256 345663494 /nfs/dbraw/zinc/66/34/94/345663494.db2.gz UDVHEWRGDARFHY-OAHLLOKOSA-N 2 1 284.444 2.427 20 0 CEADMP CC[C@H](CSC)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594516286 345642233 /nfs/dbraw/zinc/64/22/33/345642233.db2.gz XPJHEVLMDQJQIP-UKRRQHHQSA-N 2 1 286.485 2.361 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000594926918 345704887 /nfs/dbraw/zinc/70/48/87/345704887.db2.gz XUECGVQSJSQDPJ-ZVDSWSACSA-N 2 1 296.455 2.142 20 0 CEADMP C[C@H](CSCCF)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000595014751 345727469 /nfs/dbraw/zinc/72/74/69/345727469.db2.gz TTYHTSREQXVUOT-FRRDWIJNSA-N 2 1 260.422 2.294 20 0 CEADMP C[C@H](CSCCF)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000595014751 345727471 /nfs/dbraw/zinc/72/74/71/345727471.db2.gz TTYHTSREQXVUOT-FRRDWIJNSA-N 2 1 260.422 2.294 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC=C(C)C)C2)CC1 ZINC000595314638 345760948 /nfs/dbraw/zinc/76/09/48/345760948.db2.gz VARDDOVUSUUSDI-MRXNPFEDSA-N 2 1 265.445 2.055 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cn1 ZINC000062079404 362704750 /nfs/dbraw/zinc/70/47/50/362704750.db2.gz BQQHEZBYOQYNKB-UONOGXRCSA-N 2 1 264.417 2.286 20 0 CEADMP CC(C)[NH+](CCN(C)CCc1c[nH+]cn1C)C(C)C ZINC000459408382 290139902 /nfs/dbraw/zinc/13/99/02/290139902.db2.gz MCESGONNWSUNCL-UHFFFAOYSA-N 2 1 266.433 2.013 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(CC(=O)OC)CC2)C1 ZINC000599026343 346448326 /nfs/dbraw/zinc/44/83/26/346448326.db2.gz VDNKXXKBCGKUSR-SHARSMKWSA-N 2 1 282.428 2.040 20 0 CEADMP CC[C@]1(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC[NH2+]C1 ZINC000062896561 362731715 /nfs/dbraw/zinc/73/17/15/362731715.db2.gz QCHXEHJCYYSGOE-KRWDZBQOSA-N 2 1 295.471 2.147 20 0 CEADMP CCC[C@H](CCO)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336790947 365811773 /nfs/dbraw/zinc/81/17/73/365811773.db2.gz MLAMYQRGEUVEIL-CYBMUJFWSA-N 2 1 254.418 2.002 20 0 CEADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(C)c2C)CC1 ZINC000063166041 362754362 /nfs/dbraw/zinc/75/43/62/362754362.db2.gz DRWAGINGUYUNKT-UHFFFAOYSA-N 2 1 289.423 2.173 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCOCC(F)(F)F ZINC000063196388 362758838 /nfs/dbraw/zinc/75/88/38/362758838.db2.gz XKCGHADMBDEHCX-QWRGUYRKSA-N 2 1 268.323 2.157 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000336799151 365826380 /nfs/dbraw/zinc/82/63/80/365826380.db2.gz HOEKGJRAJKTNOB-MRXNPFEDSA-N 2 1 266.429 2.077 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC000336799151 365826374 /nfs/dbraw/zinc/82/63/74/365826374.db2.gz HOEKGJRAJKTNOB-MRXNPFEDSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000336799151 365826378 /nfs/dbraw/zinc/82/63/78/365826378.db2.gz HOEKGJRAJKTNOB-MRXNPFEDSA-N 2 1 266.429 2.077 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000600940748 346713292 /nfs/dbraw/zinc/71/32/92/346713292.db2.gz ASCWOEYRGOQELI-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000600940748 346713295 /nfs/dbraw/zinc/71/32/95/346713295.db2.gz ASCWOEYRGOQELI-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000600940748 346713296 /nfs/dbraw/zinc/71/32/96/346713296.db2.gz ASCWOEYRGOQELI-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCc1nnc([C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)o1 ZINC000601063006 346742184 /nfs/dbraw/zinc/74/21/84/346742184.db2.gz IVFHGWDZTYVJTO-LBPRGKRZSA-N 2 1 280.416 2.357 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(F)cc2)CC[N@H+]1C ZINC000129464103 365861276 /nfs/dbraw/zinc/86/12/76/365861276.db2.gz RQOGVFHVYUGGEJ-SWLSCSKDSA-N 2 1 250.361 2.441 20 0 CEADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000602678657 347139809 /nfs/dbraw/zinc/13/98/09/347139809.db2.gz MYHFKBKKBIVTGG-TUVASFSCSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602678657 347139813 /nfs/dbraw/zinc/13/98/13/347139813.db2.gz MYHFKBKKBIVTGG-TUVASFSCSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)c1[nH]c(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1C ZINC000602689695 347148742 /nfs/dbraw/zinc/14/87/42/347148742.db2.gz XXSCQQFZZCDTDZ-UHFFFAOYSA-N 2 1 293.411 2.074 20 0 CEADMP CCC[NH+]1CCC([N@H+](C)CCn2nc(C)cc2C)CC1 ZINC000336822563 365874514 /nfs/dbraw/zinc/87/45/14/365874514.db2.gz MESPXYVWPBOREE-UHFFFAOYSA-N 2 1 278.444 2.306 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCn2nc(C)cc2C)CC1 ZINC000336822563 365874518 /nfs/dbraw/zinc/87/45/18/365874518.db2.gz MESPXYVWPBOREE-UHFFFAOYSA-N 2 1 278.444 2.306 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCN(C)c2ccccc2)C1 ZINC000085823970 179183913 /nfs/dbraw/zinc/18/39/13/179183913.db2.gz BUPSUMVLGQWNRY-MRXNPFEDSA-N 2 1 275.440 2.396 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCN(C)c2ccccc2)C1 ZINC000085823970 179183914 /nfs/dbraw/zinc/18/39/14/179183914.db2.gz BUPSUMVLGQWNRY-MRXNPFEDSA-N 2 1 275.440 2.396 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000085823970 179183915 /nfs/dbraw/zinc/18/39/15/179183915.db2.gz BUPSUMVLGQWNRY-MRXNPFEDSA-N 2 1 275.440 2.396 20 0 CEADMP Cc1noc(CCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)n1 ZINC000336823768 365878180 /nfs/dbraw/zinc/87/81/80/365878180.db2.gz RDWZSOTYIJDFEQ-CQSZACIVSA-N 2 1 280.416 2.117 20 0 CEADMP Cc1noc(CCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)n1 ZINC000336823768 365878185 /nfs/dbraw/zinc/87/81/85/365878185.db2.gz RDWZSOTYIJDFEQ-CQSZACIVSA-N 2 1 280.416 2.117 20 0 CEADMP Cc1noc(CCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)n1 ZINC000336823768 365878192 /nfs/dbraw/zinc/87/81/92/365878192.db2.gz RDWZSOTYIJDFEQ-CQSZACIVSA-N 2 1 280.416 2.117 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2c(C)csc2=O)C[C@H]1C ZINC000336823564 365878279 /nfs/dbraw/zinc/87/82/79/365878279.db2.gz QEFQAZGSUYPKBU-TZMCWYRMSA-N 2 1 297.468 2.023 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2c(C)csc2=O)C[C@H]1C ZINC000336823564 365878283 /nfs/dbraw/zinc/87/82/83/365878283.db2.gz QEFQAZGSUYPKBU-TZMCWYRMSA-N 2 1 297.468 2.023 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2c(C)csc2=O)C[C@H]1C ZINC000336823564 365878287 /nfs/dbraw/zinc/87/82/87/365878287.db2.gz QEFQAZGSUYPKBU-TZMCWYRMSA-N 2 1 297.468 2.023 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2c(C)csc2=O)C[C@H]1C ZINC000336823564 365878290 /nfs/dbraw/zinc/87/82/90/365878290.db2.gz QEFQAZGSUYPKBU-TZMCWYRMSA-N 2 1 297.468 2.023 20 0 CEADMP O=C(Nc1ccc2nccn2c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000606583372 347482014 /nfs/dbraw/zinc/48/20/14/347482014.db2.gz YQFBNAVYGSHJIU-UONOGXRCSA-N 2 1 299.378 2.083 20 0 CEADMP C[C@H](F)CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000351843747 219223906 /nfs/dbraw/zinc/22/39/06/219223906.db2.gz HJYFAOXYSHXQBG-HRCADAONSA-N 2 1 285.451 2.225 20 0 CEADMP CCc1cnc(C[NH+]2CCC(C[NH+](C)C)CC2)o1 ZINC000608492698 347594504 /nfs/dbraw/zinc/59/45/04/347594504.db2.gz XBQXJIJWPDQJLE-UHFFFAOYSA-N 2 1 251.374 2.011 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000339347397 215111854 /nfs/dbraw/zinc/11/18/54/215111854.db2.gz AKXUSNPVUGCOBG-KRWDZBQOSA-N 2 1 274.408 2.110 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000339347397 215111855 /nfs/dbraw/zinc/11/18/55/215111855.db2.gz AKXUSNPVUGCOBG-KRWDZBQOSA-N 2 1 274.408 2.110 20 0 CEADMP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CO2 ZINC000336895761 365939402 /nfs/dbraw/zinc/93/94/02/365939402.db2.gz ZFBQKNJTCMNHQL-PMPSAXMXSA-N 2 1 272.392 2.207 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccn2ccnc2c1 ZINC000614275689 348172577 /nfs/dbraw/zinc/17/25/77/348172577.db2.gz MNQKGAXXEHJRHO-ZDUSSCGKSA-N 2 1 272.352 2.147 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339408144 215151676 /nfs/dbraw/zinc/15/16/76/215151676.db2.gz QNRIMWWUPIXGJD-BBRMVZONSA-N 2 1 274.408 2.223 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000066139316 362852684 /nfs/dbraw/zinc/85/26/84/362852684.db2.gz LKTKUCVSDSHTGX-CQSZACIVSA-N 2 1 291.439 2.208 20 0 CEADMP C[C@@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)CC[C@@H]1[NH3+] ZINC000339410364 215154352 /nfs/dbraw/zinc/15/43/52/215154352.db2.gz RJCZZCNJHQUFEQ-CJNGLKHVSA-N 2 1 274.408 2.223 20 0 CEADMP Fc1cccc(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357069148 233003637 /nfs/dbraw/zinc/00/36/37/233003637.db2.gz HIHPKIBCCJYIFP-GJZGRUSLSA-N 2 1 262.372 2.300 20 0 CEADMP C[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000623362828 349999311 /nfs/dbraw/zinc/99/93/11/349999311.db2.gz METXYSMHDIYRBP-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000623362828 349999314 /nfs/dbraw/zinc/99/93/14/349999314.db2.gz METXYSMHDIYRBP-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000623362828 349999315 /nfs/dbraw/zinc/99/93/15/349999315.db2.gz METXYSMHDIYRBP-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP CN(C)c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339067519 539659447 /nfs/dbraw/zinc/65/94/47/539659447.db2.gz LFJSAVCAPGUXGU-RDJZCZTQSA-N 2 1 273.424 2.469 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCC1(C)C ZINC000617507232 348718430 /nfs/dbraw/zinc/71/84/30/348718430.db2.gz NGBWAUALIJVNOX-GJZGRUSLSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCC1(C)C ZINC000617507232 348718433 /nfs/dbraw/zinc/71/84/33/348718433.db2.gz NGBWAUALIJVNOX-GJZGRUSLSA-N 2 1 297.487 2.201 20 0 CEADMP CCN(C(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000617552774 348728691 /nfs/dbraw/zinc/72/86/91/348728691.db2.gz VFBGGABVUPERSQ-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)CC[N@H+](C)C1CCCCC1)[C@H]1CC[NH+](C)C1 ZINC000617552774 348728694 /nfs/dbraw/zinc/72/86/94/348728694.db2.gz VFBGGABVUPERSQ-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](C)C1 ZINC000617552774 348728696 /nfs/dbraw/zinc/72/86/96/348728696.db2.gz VFBGGABVUPERSQ-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+](CC)CC ZINC000617349340 348686369 /nfs/dbraw/zinc/68/63/69/348686369.db2.gz MWORZUTYWQAYPN-KBPBESRZSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[NH+](C)C ZINC000617757936 348782171 /nfs/dbraw/zinc/78/21/71/348782171.db2.gz DKFHSFDPURIEJP-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)C ZINC000618662395 349011828 /nfs/dbraw/zinc/01/18/28/349011828.db2.gz XUHXLGVTFCFUNK-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](C)C(C)(C)C)C2)CC1 ZINC000619844306 349239828 /nfs/dbraw/zinc/23/98/28/349239828.db2.gz QXUOBPNTTWWXTI-HOTGVXAUSA-N 2 1 281.488 2.380 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000619899464 349248528 /nfs/dbraw/zinc/24/85/28/349248528.db2.gz ZXVOITACSGJMDH-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000619899464 349248531 /nfs/dbraw/zinc/24/85/31/349248531.db2.gz ZXVOITACSGJMDH-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000619899464 349248533 /nfs/dbraw/zinc/24/85/33/349248533.db2.gz ZXVOITACSGJMDH-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000250448186 539739878 /nfs/dbraw/zinc/73/98/78/539739878.db2.gz DONVTKWGPYLJSG-VNHYZAJKSA-N 2 1 252.402 2.018 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC000620624233 349407200 /nfs/dbraw/zinc/40/72/00/349407200.db2.gz QTZQJTDSZABXRM-AWEZNQCLSA-N 2 1 285.476 2.343 20 0 CEADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623402740 350010126 /nfs/dbraw/zinc/01/01/26/350010126.db2.gz XTYGYQGINBNVMV-UONOGXRCSA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623415967 350013733 /nfs/dbraw/zinc/01/37/33/350013733.db2.gz DWGMVEBHAVJNAK-CQSZACIVSA-N 2 1 255.450 2.181 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623415967 350013734 /nfs/dbraw/zinc/01/37/34/350013734.db2.gz DWGMVEBHAVJNAK-CQSZACIVSA-N 2 1 255.450 2.181 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623415967 350013735 /nfs/dbraw/zinc/01/37/35/350013735.db2.gz DWGMVEBHAVJNAK-CQSZACIVSA-N 2 1 255.450 2.181 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)C2CCCCC2)CC1(C)C ZINC000623437369 350020041 /nfs/dbraw/zinc/02/00/41/350020041.db2.gz CTDFPPQMPZKFBI-GJZGRUSLSA-N 2 1 268.445 2.390 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623436947 350020451 /nfs/dbraw/zinc/02/04/51/350020451.db2.gz LFLBQRACBBLZDK-GJZGRUSLSA-N 2 1 270.461 2.494 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)CC1(C)C ZINC000623440716 350020939 /nfs/dbraw/zinc/02/09/39/350020939.db2.gz HPPINFPYTUYPIW-JKSUJKDBSA-N 2 1 276.424 2.225 20 0 CEADMP CN(C)c1c(C[NH2+]CCC[NH+]2CCC2)ccc(F)c1F ZINC000623478660 350029874 /nfs/dbraw/zinc/02/98/74/350029874.db2.gz TZOHHTUXADTFKO-UHFFFAOYSA-N 2 1 283.366 2.216 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656882 350075881 /nfs/dbraw/zinc/07/58/81/350075881.db2.gz DOLWRZOBZQHNRM-CQSZACIVSA-N 2 1 292.471 2.366 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656882 350075882 /nfs/dbraw/zinc/07/58/82/350075882.db2.gz DOLWRZOBZQHNRM-CQSZACIVSA-N 2 1 292.471 2.366 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H](CO)c2ccsc2)CC1(C)C ZINC000623494995 350034058 /nfs/dbraw/zinc/03/40/58/350034058.db2.gz MFGVFWBAAMUEIG-QWHCGFSZSA-N 2 1 268.426 2.244 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623527430 350041702 /nfs/dbraw/zinc/04/17/02/350041702.db2.gz TXFDYTBFMBUUJK-KBPBESRZSA-N 2 1 255.450 2.178 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623527430 350041707 /nfs/dbraw/zinc/04/17/07/350041707.db2.gz TXFDYTBFMBUUJK-KBPBESRZSA-N 2 1 255.450 2.178 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623527430 350041710 /nfs/dbraw/zinc/04/17/10/350041710.db2.gz TXFDYTBFMBUUJK-KBPBESRZSA-N 2 1 255.450 2.178 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)CC1(C)C ZINC000623535373 350043067 /nfs/dbraw/zinc/04/30/67/350043067.db2.gz XNDVLTXAEPPAMO-HOTGVXAUSA-N 2 1 294.414 2.192 20 0 CEADMP C[N@H+]1CC[C@H](NCc2ccc3c[nH+]cn3c2)CC1(C)C ZINC000623546537 350047037 /nfs/dbraw/zinc/04/70/37/350047037.db2.gz GJGLISCMMPJQED-AWEZNQCLSA-N 2 1 272.396 2.297 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C12CCC2 ZINC000623546924 350048023 /nfs/dbraw/zinc/04/80/23/350048023.db2.gz ADNLKGBNYUZLTH-HZSPNIEDSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCC2(O)CCC2)CC1(C)C ZINC000623552557 350048440 /nfs/dbraw/zinc/04/84/40/350048440.db2.gz KYGBVFUAFBGLDP-CYBMUJFWSA-N 2 1 254.418 2.144 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623552783 350049032 /nfs/dbraw/zinc/04/90/32/350049032.db2.gz WDZRFZGRLGQURT-MGPQQGTHSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)CC[N@H+]1C ZINC000090721842 180031494 /nfs/dbraw/zinc/03/14/94/180031494.db2.gz IWNFEEMBHLNRAC-GOEBONIOSA-N 2 1 284.407 2.445 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)[C@H](C)C1 ZINC000624054617 350180846 /nfs/dbraw/zinc/18/08/46/350180846.db2.gz IYZOZWVABGZOSO-FHLIZLRMSA-N 2 1 288.435 2.448 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CCOCC1 ZINC000624121242 350199100 /nfs/dbraw/zinc/19/91/00/350199100.db2.gz RBMMEHBMEDTCSL-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CO2 ZINC000624072223 350185542 /nfs/dbraw/zinc/18/55/42/350185542.db2.gz XWWQDFXKDUXBOJ-KKUMJFAQSA-N 2 1 274.408 2.371 20 0 CEADMP Cc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CO2 ZINC000624072223 350185545 /nfs/dbraw/zinc/18/55/45/350185545.db2.gz XWWQDFXKDUXBOJ-KKUMJFAQSA-N 2 1 274.408 2.371 20 0 CEADMP CCCCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662381 180219979 /nfs/dbraw/zinc/21/99/79/180219979.db2.gz OMRCQCKUVCFPHT-RRFJBIMHSA-N 2 1 254.418 2.408 20 0 CEADMP CCCCC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662381 180219980 /nfs/dbraw/zinc/21/99/80/180219980.db2.gz OMRCQCKUVCFPHT-RRFJBIMHSA-N 2 1 254.418 2.408 20 0 CEADMP COC(=O)c1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000091847916 180271258 /nfs/dbraw/zinc/27/12/58/180271258.db2.gz JVPNJZYZYDKNMR-UHFFFAOYSA-N 2 1 276.380 2.175 20 0 CEADMP CCCc1ccc2[nH+]ccc(NCC[N@H+]3CC[C@H](O)C3)c2c1 ZINC000624778116 350359151 /nfs/dbraw/zinc/35/91/51/350359151.db2.gz XDHAZMUDCNHLEJ-HNNXBMFYSA-N 2 1 299.418 2.088 20 0 CEADMP C[N@H+](Cc1cccc2c[nH]nc21)C[C@@H]1CCC[NH+](C)C1 ZINC000092253579 180352664 /nfs/dbraw/zinc/35/26/64/180352664.db2.gz FFDCWNPQWWIEIO-CYBMUJFWSA-N 2 1 272.396 2.337 20 0 CEADMP C[NH+](Cc1cccc2c[nH]nc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253579 180352666 /nfs/dbraw/zinc/35/26/66/180352666.db2.gz FFDCWNPQWWIEIO-CYBMUJFWSA-N 2 1 272.396 2.337 20 0 CEADMP C[NH+](Cc1cccc2c[nH]nc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253579 180352667 /nfs/dbraw/zinc/35/26/67/180352667.db2.gz FFDCWNPQWWIEIO-CYBMUJFWSA-N 2 1 272.396 2.337 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000110371072 186294585 /nfs/dbraw/zinc/29/45/85/186294585.db2.gz MKRAYROFNFKGGY-KRWDZBQOSA-N 2 1 279.472 2.326 20 0 CEADMP C(CC1CC[NH2+]CC1)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000110371072 186294586 /nfs/dbraw/zinc/29/45/86/186294586.db2.gz MKRAYROFNFKGGY-KRWDZBQOSA-N 2 1 279.472 2.326 20 0 CEADMP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000568992142 299173332 /nfs/dbraw/zinc/17/33/32/299173332.db2.gz XFEKOXIOOKTYDC-AVAUJXNBSA-N 2 1 288.435 2.366 20 0 CEADMP Cc1c[nH]c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000628149862 350978544 /nfs/dbraw/zinc/97/85/44/350978544.db2.gz QRHLZYWJLJXSNG-UHFFFAOYSA-N 2 1 264.417 2.270 20 0 CEADMP Cc1c[nH]c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000628149862 350978549 /nfs/dbraw/zinc/97/85/49/350978549.db2.gz QRHLZYWJLJXSNG-UHFFFAOYSA-N 2 1 264.417 2.270 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)o1 ZINC000628244250 351025357 /nfs/dbraw/zinc/02/53/57/351025357.db2.gz YWYYXFZCSANCHH-UHFFFAOYSA-N 2 1 263.385 2.352 20 0 CEADMP Cc1ncc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000628280044 351038585 /nfs/dbraw/zinc/03/85/85/351038585.db2.gz MSHRRYKEVZRFAB-CQSZACIVSA-N 2 1 263.385 2.147 20 0 CEADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(C3CC3)o2)C1 ZINC000628281419 351040242 /nfs/dbraw/zinc/04/02/42/351040242.db2.gz XSNAOLLHDGBCBM-HIFRSBDPSA-N 2 1 275.396 2.468 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(C3CC3)o2)C1 ZINC000628281419 351040244 /nfs/dbraw/zinc/04/02/44/351040244.db2.gz XSNAOLLHDGBCBM-HIFRSBDPSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnc(C3CC3)o2)C1 ZINC000628281419 351040246 /nfs/dbraw/zinc/04/02/46/351040246.db2.gz XSNAOLLHDGBCBM-HIFRSBDPSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnc(C3CC3)o2)C1 ZINC000628281419 351040249 /nfs/dbraw/zinc/04/02/49/351040249.db2.gz XSNAOLLHDGBCBM-HIFRSBDPSA-N 2 1 275.396 2.468 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@]3(C)CCCS3)C2)C1 ZINC000628292785 351046006 /nfs/dbraw/zinc/04/60/06/351046006.db2.gz UBPCXYCWQQFYBB-ZIAGYGMSSA-N 2 1 254.443 2.300 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@]3(C)CCCS3)C2)C1 ZINC000628292785 351046008 /nfs/dbraw/zinc/04/60/08/351046008.db2.gz UBPCXYCWQQFYBB-ZIAGYGMSSA-N 2 1 254.443 2.300 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@]3(C)CCCS3)C2)C1 ZINC000628292785 351046011 /nfs/dbraw/zinc/04/60/11/351046011.db2.gz UBPCXYCWQQFYBB-ZIAGYGMSSA-N 2 1 254.443 2.300 20 0 CEADMP c1nc(C2CC2)oc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000628308576 351055058 /nfs/dbraw/zinc/05/50/58/351055058.db2.gz XCCUJDXUGILNMP-UHFFFAOYSA-N 2 1 268.320 2.490 20 0 CEADMP Cc1nc(C)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC000628222381 351012950 /nfs/dbraw/zinc/01/29/50/351012950.db2.gz PHURXYBIBVYTLP-AGUYFDCRSA-N 2 1 263.385 2.396 20 0 CEADMP Cc1nc(C)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)o1 ZINC000628222381 351012953 /nfs/dbraw/zinc/01/29/53/351012953.db2.gz PHURXYBIBVYTLP-AGUYFDCRSA-N 2 1 263.385 2.396 20 0 CEADMP Cc1nc2cc(NC(=O)C[N@@H+]3CC[C@@H](C)C3)ccc2[nH]1 ZINC000569017944 299175219 /nfs/dbraw/zinc/17/52/19/299175219.db2.gz YMYLVKAWCSNHPU-SNVBAGLBSA-N 2 1 272.352 2.152 20 0 CEADMP Cc1nc2ccc(NC(=O)C[N@H+]3CC[C@@H](C)C3)cc2[nH]1 ZINC000569017944 299175223 /nfs/dbraw/zinc/17/52/23/299175223.db2.gz YMYLVKAWCSNHPU-SNVBAGLBSA-N 2 1 272.352 2.152 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1c[nH+]ccc1N ZINC000629514054 351383172 /nfs/dbraw/zinc/38/31/72/351383172.db2.gz PERAEHSZKLSPLC-DOMZBBRYSA-N 2 1 283.375 2.286 20 0 CEADMP [NH3+]C1(C[NH2+][C@@H]2CSCCc3ccccc32)CCOCC1 ZINC000629525061 351389963 /nfs/dbraw/zinc/38/99/63/351389963.db2.gz QYLSHNDBWRPMKY-OAHLLOKOSA-N 2 1 292.448 2.115 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccncc2Br)C1 ZINC000629529245 351393714 /nfs/dbraw/zinc/39/37/14/351393714.db2.gz WKBAVRXPETWGJC-LLVKDONJSA-N 2 1 298.228 2.405 20 0 CEADMP COc1ccncc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000629537399 351399895 /nfs/dbraw/zinc/39/98/95/351399895.db2.gz IYCDKDXBYITARM-CYBMUJFWSA-N 2 1 275.396 2.054 20 0 CEADMP Cc1cncc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000629540137 351402033 /nfs/dbraw/zinc/40/20/33/351402033.db2.gz UPOZJDLGWIIBMO-AWEZNQCLSA-N 2 1 259.397 2.354 20 0 CEADMP C[C@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C[C@@H]1C[NH3+] ZINC000629648594 351447588 /nfs/dbraw/zinc/44/75/88/351447588.db2.gz RSDRKUIZLQXUEM-BBRMVZONSA-N 2 1 272.392 2.379 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1O ZINC000629660795 351455225 /nfs/dbraw/zinc/45/52/25/351455225.db2.gz ZNKDVRFZBQMNAD-IPYPFGDCSA-N 2 1 292.423 2.452 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000629570592 351417111 /nfs/dbraw/zinc/41/71/11/351417111.db2.gz DPLHCUQEUUIHAT-LBPRGKRZSA-N 2 1 254.349 2.055 20 0 CEADMP O[C@H](C[NH2+]Cc1ccc2sccc2c1)C[NH+]1CCCC1 ZINC000629580037 351420688 /nfs/dbraw/zinc/42/06/88/351420688.db2.gz LGQCCEZJBYVPCP-OAHLLOKOSA-N 2 1 290.432 2.448 20 0 CEADMP C[N@@H+](CCOCC[NH3+])CC[C@H]1CCc2ccccc21 ZINC000629581272 351422229 /nfs/dbraw/zinc/42/22/29/351422229.db2.gz UKMAWPCQTIUWMO-OAHLLOKOSA-N 2 1 262.397 2.014 20 0 CEADMP COC[C@@H](C)[N@@H+](CCC[NH3+])[C@@H]1CCc2ccccc21 ZINC000629589962 351425131 /nfs/dbraw/zinc/42/51/31/351425131.db2.gz GFDMKYXDSPEZTH-CZUORRHYSA-N 2 1 262.397 2.360 20 0 CEADMP CC1CCC(N(C)C(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000070149647 363037368 /nfs/dbraw/zinc/03/73/68/363037368.db2.gz QIQYIUFYBJMAIZ-UYSNPLJNSA-N 2 1 295.471 2.227 20 0 CEADMP CC1CCC(N(C)C(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000070149647 363037373 /nfs/dbraw/zinc/03/73/73/363037373.db2.gz QIQYIUFYBJMAIZ-UYSNPLJNSA-N 2 1 295.471 2.227 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149749 363038465 /nfs/dbraw/zinc/03/84/65/363038465.db2.gz MDJXNVVWPMDKOF-GFCCVEGCSA-N 2 1 253.415 2.197 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1OC ZINC000070169715 363042732 /nfs/dbraw/zinc/04/27/32/363042732.db2.gz CRCDFRQTDWEBBW-ZDUSSCGKSA-N 2 1 278.396 2.265 20 0 CEADMP Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000070170709 363044004 /nfs/dbraw/zinc/04/40/04/363044004.db2.gz YPXUBRXWLQUQRR-HNNXBMFYSA-N 2 1 289.423 2.303 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccccc1Cl ZINC000131702805 366078886 /nfs/dbraw/zinc/07/88/86/366078886.db2.gz MFFFNOQQPPFRHM-VXGBXAGGSA-N 2 1 268.788 2.388 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccccc1Cl ZINC000131702805 366078895 /nfs/dbraw/zinc/07/88/95/366078895.db2.gz MFFFNOQQPPFRHM-VXGBXAGGSA-N 2 1 268.788 2.388 20 0 CEADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000122205632 187020849 /nfs/dbraw/zinc/02/08/49/187020849.db2.gz LUHURWJNMNOOFL-BARDWOONSA-N 2 1 283.460 2.094 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2)CC[N@@H+]1C ZINC000123202189 187077410 /nfs/dbraw/zinc/07/74/10/187077410.db2.gz GWHIMIKKYBEIMK-HOCLYGCPSA-N 2 1 289.423 2.430 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2)CC[N@H+]1C ZINC000123202189 187077411 /nfs/dbraw/zinc/07/74/11/187077411.db2.gz GWHIMIKKYBEIMK-HOCLYGCPSA-N 2 1 289.423 2.430 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2)CC[NH+]1C ZINC000123202189 187077412 /nfs/dbraw/zinc/07/74/12/187077412.db2.gz GWHIMIKKYBEIMK-HOCLYGCPSA-N 2 1 289.423 2.430 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2)CC[NH+]1C ZINC000123202189 187077413 /nfs/dbraw/zinc/07/74/13/187077413.db2.gz GWHIMIKKYBEIMK-HOCLYGCPSA-N 2 1 289.423 2.430 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccn(C)c2)C1 ZINC000123308852 187084239 /nfs/dbraw/zinc/08/42/39/187084239.db2.gz CHSMFZMMNGNPLL-GASCZTMLSA-N 2 1 263.429 2.483 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(CCOC)s2)C1 ZINC000631048933 351937307 /nfs/dbraw/zinc/93/73/07/351937307.db2.gz ALNKIIXHSBTVPO-ZDUSSCGKSA-N 2 1 297.468 2.154 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(CCOC)s2)C1 ZINC000631048933 351937310 /nfs/dbraw/zinc/93/73/10/351937310.db2.gz ALNKIIXHSBTVPO-ZDUSSCGKSA-N 2 1 297.468 2.154 20 0 CEADMP C[N@H+]1CCC[C@@H](CNCc2ccc(C(F)F)nc2)C1 ZINC000631067990 351946665 /nfs/dbraw/zinc/94/66/65/351946665.db2.gz DRADLVPEARCTJQ-LBPRGKRZSA-N 2 1 269.339 2.451 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(F)F)nc2)C1 ZINC000631067990 351946668 /nfs/dbraw/zinc/94/66/68/351946668.db2.gz DRADLVPEARCTJQ-LBPRGKRZSA-N 2 1 269.339 2.451 20 0 CEADMP Cc1cc(C)c(/C=C\C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(C)c1 ZINC000631112942 351969744 /nfs/dbraw/zinc/96/97/44/351969744.db2.gz SEBMQPOBOWHJGH-XFHJGTJQSA-N 2 1 288.435 2.281 20 0 CEADMP Cc1cc(C)c(/C=C\C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(C)c1 ZINC000631112942 351969746 /nfs/dbraw/zinc/96/97/46/351969746.db2.gz SEBMQPOBOWHJGH-XFHJGTJQSA-N 2 1 288.435 2.281 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H](C)CO ZINC000131725139 366083182 /nfs/dbraw/zinc/08/31/82/366083182.db2.gz IRPKBHXDGAGGQH-HZPDHXFCSA-N 2 1 290.451 2.300 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(C[NH3+])o1 ZINC000237669225 539862622 /nfs/dbraw/zinc/86/26/22/539862622.db2.gz LHQABZHGIGYAAL-CYBMUJFWSA-N 2 1 293.411 2.123 20 0 CEADMP COCC(C)(C)C[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000494371637 290970893 /nfs/dbraw/zinc/97/08/93/290970893.db2.gz SVMFJUFGRVCXNS-CQSZACIVSA-N 2 1 256.434 2.369 20 0 CEADMP c1cncc(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000249904369 539963220 /nfs/dbraw/zinc/96/32/20/539963220.db2.gz JMBXNNVRTREXRY-HZPDHXFCSA-N 2 1 259.397 2.088 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1C ZINC000292268662 198225744 /nfs/dbraw/zinc/22/57/44/198225744.db2.gz ZGULZTFAABARDD-KRWDZBQOSA-N 2 1 289.423 2.235 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC000292268662 198225745 /nfs/dbraw/zinc/22/57/45/198225745.db2.gz ZGULZTFAABARDD-KRWDZBQOSA-N 2 1 289.423 2.235 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@H](C)[C@H]2C[NH3+])c1C ZINC000250879486 539970022 /nfs/dbraw/zinc/97/00/22/539970022.db2.gz SXWFRJNUSVQRNE-XHDPSFHLSA-N 2 1 277.412 2.266 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000153795723 188104521 /nfs/dbraw/zinc/10/45/21/188104521.db2.gz KIVZAUCTMAZNHV-KBMXLJTQSA-N 2 1 262.397 2.040 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000153795827 188104783 /nfs/dbraw/zinc/10/47/83/188104783.db2.gz KIVZAUCTMAZNHV-BMFZPTHFSA-N 2 1 262.397 2.040 20 0 CEADMP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416589 540003342 /nfs/dbraw/zinc/00/33/42/540003342.db2.gz OHVFAAQIRIRTBF-GOEBONIOSA-N 2 1 276.428 2.001 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416589 540003346 /nfs/dbraw/zinc/00/33/46/540003346.db2.gz OHVFAAQIRIRTBF-GOEBONIOSA-N 2 1 276.428 2.001 20 0 CEADMP CC[N@H+](C)CCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000158753778 188392080 /nfs/dbraw/zinc/39/20/80/188392080.db2.gz UEIIHAYWDPVLFS-OAHLLOKOSA-N 2 1 293.455 2.229 20 0 CEADMP CC[N@@H+](C)CCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000158753778 188392081 /nfs/dbraw/zinc/39/20/81/188392081.db2.gz UEIIHAYWDPVLFS-OAHLLOKOSA-N 2 1 293.455 2.229 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000569495138 299206649 /nfs/dbraw/zinc/20/66/49/299206649.db2.gz BVWVRQGZVMNJTJ-RISCZKNCSA-N 2 1 271.364 2.252 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCC(F)(F)F)CC1 ZINC000337241175 366099932 /nfs/dbraw/zinc/09/99/32/366099932.db2.gz FPNFKBYCTJQVCM-UHFFFAOYSA-N 2 1 295.393 2.287 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000494949162 291007058 /nfs/dbraw/zinc/00/70/58/291007058.db2.gz LNJCIJVRDNLWNT-GJZGRUSLSA-N 2 1 286.485 2.172 20 0 CEADMP COC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000131911310 366100627 /nfs/dbraw/zinc/10/06/27/366100627.db2.gz NZBYJNARUIKOCH-CQSZACIVSA-N 2 1 294.414 2.457 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCSC2)C1 ZINC000494934548 291006416 /nfs/dbraw/zinc/00/64/16/291006416.db2.gz GFYSKJNLOZVYKX-ZIAGYGMSSA-N 2 1 256.459 2.403 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000494934548 291006417 /nfs/dbraw/zinc/00/64/17/291006417.db2.gz GFYSKJNLOZVYKX-ZIAGYGMSSA-N 2 1 256.459 2.403 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000494934548 291006418 /nfs/dbraw/zinc/00/64/18/291006418.db2.gz GFYSKJNLOZVYKX-ZIAGYGMSSA-N 2 1 256.459 2.403 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C[C@H]1C[NH3+] ZINC000253235753 540016958 /nfs/dbraw/zinc/01/69/58/540016958.db2.gz MWHLLPDPIFZZCJ-QLFBSQMISA-N 2 1 274.408 2.469 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2C)C1(C)C ZINC000451485346 283005781 /nfs/dbraw/zinc/00/57/81/283005781.db2.gz CMEOCXLAJATBBD-ZIAGYGMSSA-N 2 1 265.401 2.375 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000163479465 188608492 /nfs/dbraw/zinc/60/84/92/188608492.db2.gz NSVITCBQLHEVJT-BBRMVZONSA-N 2 1 262.397 2.250 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000337452175 366153803 /nfs/dbraw/zinc/15/38/03/366153803.db2.gz UQBBDYOJNBMFRB-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP CCC(CC)[C@@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000133126476 366197407 /nfs/dbraw/zinc/19/74/07/366197407.db2.gz WOXSDLFXQMOKEX-CWRNSKLLSA-N 2 1 269.477 2.283 20 0 CEADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)C1CCOCC1 ZINC000133302915 366211911 /nfs/dbraw/zinc/21/19/11/366211911.db2.gz JMGROJYGKOKMIY-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)C1CCOCC1 ZINC000133302915 366211916 /nfs/dbraw/zinc/21/19/16/366211916.db2.gz JMGROJYGKOKMIY-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451555721 283033611 /nfs/dbraw/zinc/03/36/11/283033611.db2.gz CBJMNNHWRJWAQU-ZYGGUILKSA-N 2 1 298.471 2.090 20 0 CEADMP CO[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451555721 283033614 /nfs/dbraw/zinc/03/36/14/283033614.db2.gz CBJMNNHWRJWAQU-ZYGGUILKSA-N 2 1 298.471 2.090 20 0 CEADMP CO[C@@H]1CC[NH+](CCC[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451555721 283033618 /nfs/dbraw/zinc/03/36/18/283033618.db2.gz CBJMNNHWRJWAQU-ZYGGUILKSA-N 2 1 298.471 2.090 20 0 CEADMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+](C)C ZINC000338205090 366234643 /nfs/dbraw/zinc/23/46/43/366234643.db2.gz PWAUZQGXXBGQET-QKPAOTATSA-N 2 1 295.471 2.190 20 0 CEADMP CCOC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000179039959 542253251 /nfs/dbraw/zinc/25/32/51/542253251.db2.gz GOULKBXNNIRYNH-UHFFFAOYSA-N 2 1 265.401 2.473 20 0 CEADMP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(CC[NH3+])CC1 ZINC000571291915 314082497 /nfs/dbraw/zinc/08/24/97/314082497.db2.gz WXKUICZYWHBDHL-NSHDSACASA-N 2 1 280.416 2.489 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)n21 ZINC000336362162 213212059 /nfs/dbraw/zinc/21/20/59/213212059.db2.gz RZZFGZTWGBNGSF-KBPBESRZSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)n21 ZINC000336362162 213212062 /nfs/dbraw/zinc/21/20/62/213212062.db2.gz RZZFGZTWGBNGSF-KBPBESRZSA-N 2 1 272.396 2.215 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000459425063 540115125 /nfs/dbraw/zinc/11/51/25/540115125.db2.gz LLDDFNAIRSLARG-INIZCTEOSA-N 2 1 287.407 2.312 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2c(Cl)nc3ccccn32)CC1 ZINC000271855950 191369710 /nfs/dbraw/zinc/36/97/10/191369710.db2.gz URFAJFPSYBVVBC-UHFFFAOYSA-N 2 1 290.798 2.339 20 0 CEADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271900562 191398962 /nfs/dbraw/zinc/39/89/62/191398962.db2.gz VNHKTLOGEXCMJB-CQSZACIVSA-N 2 1 287.407 2.255 20 0 CEADMP CC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000683436496 540188832 /nfs/dbraw/zinc/18/88/32/540188832.db2.gz WRCMDAFLUXGKAP-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCCC2)[C@H]2CCC[C@H]21 ZINC000367589548 283135295 /nfs/dbraw/zinc/13/52/95/283135295.db2.gz PLCPXAMPDFULTK-IXDOHACOSA-N 3 1 279.472 2.325 20 0 CEADMP CN1CC[C@H]([NH2+]CCCC[NH+]2CCCC2)[C@H]2CCC[C@H]21 ZINC000367589548 283135300 /nfs/dbraw/zinc/13/53/00/283135300.db2.gz PLCPXAMPDFULTK-IXDOHACOSA-N 2 1 279.472 2.325 20 0 CEADMP C[N@@H+](CCC[NH3+])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000414762400 540245499 /nfs/dbraw/zinc/24/54/99/540245499.db2.gz VYZQHSNIBKFXJX-HUUCEWRRSA-N 2 1 266.360 2.326 20 0 CEADMP [NH3+]CCC[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000414752183 540245641 /nfs/dbraw/zinc/24/56/41/540245641.db2.gz KIBNFUBABBVLSM-LLVKDONJSA-N 2 1 277.343 2.495 20 0 CEADMP Cc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cn1 ZINC000414879610 540246862 /nfs/dbraw/zinc/24/68/62/540246862.db2.gz PHCRQTZATYRVFN-UHFFFAOYSA-N 2 1 270.380 2.055 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000338277647 366267352 /nfs/dbraw/zinc/26/73/52/366267352.db2.gz GBBDMGCXYDLCED-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000338277647 366267358 /nfs/dbraw/zinc/26/73/58/366267358.db2.gz GBBDMGCXYDLCED-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCC[C@H]1C ZINC000386160520 540248537 /nfs/dbraw/zinc/24/85/37/540248537.db2.gz QMDDHZDYOHRZBW-QLFBSQMISA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000386160520 540248540 /nfs/dbraw/zinc/24/85/40/540248540.db2.gz QMDDHZDYOHRZBW-QLFBSQMISA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000386160520 540248542 /nfs/dbraw/zinc/24/85/42/540248542.db2.gz QMDDHZDYOHRZBW-QLFBSQMISA-N 2 1 256.434 2.198 20 0 CEADMP C[N@@H+](CCCO[C@@H]1CCCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000338309727 366288005 /nfs/dbraw/zinc/28/80/05/366288005.db2.gz VVEAGJIHMQRPPF-HZPDHXFCSA-N 2 1 284.444 2.193 20 0 CEADMP C[NH+](CCCO[C@@H]1CCCCO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000338309727 366288012 /nfs/dbraw/zinc/28/80/12/366288012.db2.gz VVEAGJIHMQRPPF-HZPDHXFCSA-N 2 1 284.444 2.193 20 0 CEADMP C[NH+](CCCO[C@@H]1CCCCO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000338309727 366288021 /nfs/dbraw/zinc/28/80/21/366288021.db2.gz VVEAGJIHMQRPPF-HZPDHXFCSA-N 2 1 284.444 2.193 20 0 CEADMP Cc1cnc(C[NH+]2CCC(CC[NH+](C)C)CC2)o1 ZINC000075644958 363481420 /nfs/dbraw/zinc/48/14/20/363481420.db2.gz KWBCLIVWUKLBCL-UHFFFAOYSA-N 2 1 251.374 2.147 20 0 CEADMP C[C@H](C[N@H+](CCO)C1CC[NH+](C)CC1)C(C)(C)C ZINC000670261360 540255122 /nfs/dbraw/zinc/25/51/22/540255122.db2.gz LNTYWHYNSPDTOK-CYBMUJFWSA-N 2 1 256.434 2.057 20 0 CEADMP C[C@H](C[N@@H+](CCO)C1CC[NH+](C)CC1)C(C)(C)C ZINC000670261360 540255125 /nfs/dbraw/zinc/25/51/25/540255125.db2.gz LNTYWHYNSPDTOK-CYBMUJFWSA-N 2 1 256.434 2.057 20 0 CEADMP COCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869163 366367635 /nfs/dbraw/zinc/36/76/35/366367635.db2.gz VBRMIGGKNCYSIL-ZBFHGGJFSA-N 2 1 266.429 2.362 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000385260567 538739001 /nfs/dbraw/zinc/73/90/01/538739001.db2.gz VKCJZXIJHGGDOM-RBSFLKMASA-N 2 1 256.434 2.246 20 0 CEADMP CCC[N@@H+](CCN(CC)CC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414706727 283235871 /nfs/dbraw/zinc/23/58/71/283235871.db2.gz HFJXVVKMYSGDDF-CVEARBPZSA-N 2 1 269.477 2.428 20 0 CEADMP C[C@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C(C)(C)C ZINC000670264067 540259071 /nfs/dbraw/zinc/25/90/71/540259071.db2.gz RAOXFYVJIWIZGA-HZPDHXFCSA-N 2 1 281.488 2.380 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](O)CC(C)(C)C1 ZINC000336235851 213067780 /nfs/dbraw/zinc/06/77/80/213067780.db2.gz PTJDGBMCTBICND-LSDHHAIUSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000336235851 213067781 /nfs/dbraw/zinc/06/77/81/213067781.db2.gz PTJDGBMCTBICND-LSDHHAIUSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000336235851 213067783 /nfs/dbraw/zinc/06/77/83/213067783.db2.gz PTJDGBMCTBICND-LSDHHAIUSA-N 2 1 268.445 2.344 20 0 CEADMP COCCOCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000079435947 363600673 /nfs/dbraw/zinc/60/06/73/363600673.db2.gz JOZITPVKSQEUGX-KRWDZBQOSA-N 2 1 298.471 2.093 20 0 CEADMP COCCOCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000079435947 363600680 /nfs/dbraw/zinc/60/06/80/363600680.db2.gz JOZITPVKSQEUGX-KRWDZBQOSA-N 2 1 298.471 2.093 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)C(=O)OC)C[C@H]1C ZINC000338544629 366403975 /nfs/dbraw/zinc/40/39/75/366403975.db2.gz CSXHITMBYARFPE-KGLIPLIRSA-N 2 1 284.444 2.380 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(C)(C)C(=O)OC)C[C@H]1C ZINC000338544629 366403979 /nfs/dbraw/zinc/40/39/79/366403979.db2.gz CSXHITMBYARFPE-KGLIPLIRSA-N 2 1 284.444 2.380 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(C)(C)C(=O)OC)C[C@H]1C ZINC000338544629 366403980 /nfs/dbraw/zinc/40/39/80/366403980.db2.gz CSXHITMBYARFPE-KGLIPLIRSA-N 2 1 284.444 2.380 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000578080252 366441681 /nfs/dbraw/zinc/44/16/81/366441681.db2.gz RECDWXMUYCPNGR-IRXDYDNUSA-N 2 1 296.430 2.295 20 0 CEADMP CC(=O)N1CC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000570864613 299282436 /nfs/dbraw/zinc/28/24/36/299282436.db2.gz YEMRWWFCVZRQBX-LBPRGKRZSA-N 2 1 298.390 2.062 20 0 CEADMP CC(C)c1cc(N2CC[C@H](C[NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000338688875 366471454 /nfs/dbraw/zinc/47/14/54/366471454.db2.gz ITTATHWBQCPYLJ-CYBMUJFWSA-N 2 1 291.443 2.054 20 0 CEADMP C/C(=C\c1ccccc1)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000338710382 366482716 /nfs/dbraw/zinc/48/27/16/366482716.db2.gz GVHDPAMYPQAYNS-JMPLCFMRSA-N 2 1 274.408 2.136 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000312988581 540463169 /nfs/dbraw/zinc/46/31/69/540463169.db2.gz OYEDPAOTSYKSPF-LSDHHAIUSA-N 2 1 268.445 2.392 20 0 CEADMP Cc1occc1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000666273474 540501088 /nfs/dbraw/zinc/50/10/88/540501088.db2.gz HZZIJUIVPRNWRY-MRXNPFEDSA-N 2 1 278.396 2.321 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOCC2CCC2)[C@@H]2CCC[C@H]21 ZINC000671760754 540504806 /nfs/dbraw/zinc/50/48/06/540504806.db2.gz BWBKDHUOARBKCZ-HRCADAONSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417355602 237094548 /nfs/dbraw/zinc/09/45/48/237094548.db2.gz OFINWCLOSYRCBX-LEUOFYLZSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417355602 237094556 /nfs/dbraw/zinc/09/45/56/237094556.db2.gz OFINWCLOSYRCBX-LEUOFYLZSA-N 2 1 288.435 2.400 20 0 CEADMP c1nc(-c2ccccc2)[nH]c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855435 540510153 /nfs/dbraw/zinc/51/01/53/540510153.db2.gz RIOQWNAWCSLSSM-AWEZNQCLSA-N 2 1 270.380 2.308 20 0 CEADMP c1nc(-c2ccccn2)sc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856377 540510289 /nfs/dbraw/zinc/51/02/89/540510289.db2.gz FGXOWVJCNIANGH-LBPRGKRZSA-N 2 1 288.420 2.437 20 0 CEADMP CCCn1nccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000668084346 540564984 /nfs/dbraw/zinc/56/49/84/540564984.db2.gz ICWOJZPGUNMKTP-MRXNPFEDSA-N 2 1 286.379 2.341 20 0 CEADMP CCCn1nccc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000668084346 540564987 /nfs/dbraw/zinc/56/49/87/540564987.db2.gz ICWOJZPGUNMKTP-MRXNPFEDSA-N 2 1 286.379 2.341 20 0 CEADMP CC[C@H](C[NH+]1CCCC1)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000672901947 540644792 /nfs/dbraw/zinc/64/47/92/540644792.db2.gz FYGQEUKTOVJCEH-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000297467375 200201452 /nfs/dbraw/zinc/20/14/52/200201452.db2.gz YJJMDCLCJIJIKH-BQGCOEIASA-N 2 1 294.414 2.047 20 0 CEADMP C[C@](O)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000297583883 200233736 /nfs/dbraw/zinc/23/37/36/200233736.db2.gz IQILFBFZKKDPBF-KRWDZBQOSA-N 2 1 292.398 2.250 20 0 CEADMP COC1(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CCC1 ZINC000339023958 366617123 /nfs/dbraw/zinc/61/71/23/366617123.db2.gz VKNQLPFTIOQSAZ-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[NH2+]C2CC2)C1 ZINC000579258395 366621219 /nfs/dbraw/zinc/62/12/19/366621219.db2.gz LRCCHQWIDWNDJC-AWEZNQCLSA-N 2 1 295.471 2.145 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000339011624 366612984 /nfs/dbraw/zinc/61/29/84/366612984.db2.gz QOODCVUXJIVKQC-QGZVFWFLSA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000339011624 366612991 /nfs/dbraw/zinc/61/29/91/366612991.db2.gz QOODCVUXJIVKQC-QGZVFWFLSA-N 2 1 294.414 2.145 20 0 CEADMP O=C1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1c1ccccc1 ZINC000339069563 366640326 /nfs/dbraw/zinc/64/03/26/366640326.db2.gz XHGIYMHFXMZYRU-YQQAZPJKSA-N 2 1 299.418 2.008 20 0 CEADMP O=C1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CN1c1ccccc1 ZINC000339069563 366640329 /nfs/dbraw/zinc/64/03/29/366640329.db2.gz XHGIYMHFXMZYRU-YQQAZPJKSA-N 2 1 299.418 2.008 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C12CCOCC2 ZINC000579461985 366648601 /nfs/dbraw/zinc/64/86/01/366648601.db2.gz SYOUPNLJGGMFOM-ARFHVFGLSA-N 2 1 296.455 2.068 20 0 CEADMP COC1(CC[N@H+]2CCC[C@H]([NH+](C)C)CC2)CCC1 ZINC000339126509 366665449 /nfs/dbraw/zinc/66/54/49/366665449.db2.gz YKVFYXHUKPDFKS-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673656200 540685122 /nfs/dbraw/zinc/68/51/22/540685122.db2.gz UAYQRKILHPCTFR-BETUJISGSA-N 2 1 299.378 2.079 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000151951230 366679796 /nfs/dbraw/zinc/67/97/96/366679796.db2.gz RJPGLWJSENSOBK-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](C[NH+]1CCC[C@H](C)C1)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000151951230 366679799 /nfs/dbraw/zinc/67/97/99/366679799.db2.gz RJPGLWJSENSOBK-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](C[NH+]1CCC[C@H](C)C1)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000151951230 366679803 /nfs/dbraw/zinc/67/98/03/366679803.db2.gz RJPGLWJSENSOBK-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000341902023 216147188 /nfs/dbraw/zinc/14/71/88/216147188.db2.gz HJQPIMDUERFFBG-CBBWQLFWSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1cnn(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000341913306 216149775 /nfs/dbraw/zinc/14/97/75/216149775.db2.gz RQMWFINYFIOHJH-WBVHZDCISA-N 2 1 288.439 2.140 20 0 CEADMP Cc1cnn(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000341913306 216149776 /nfs/dbraw/zinc/14/97/76/216149776.db2.gz RQMWFINYFIOHJH-WBVHZDCISA-N 2 1 288.439 2.140 20 0 CEADMP Cc1cnn(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000341913306 216149778 /nfs/dbraw/zinc/14/97/78/216149778.db2.gz RQMWFINYFIOHJH-WBVHZDCISA-N 2 1 288.439 2.140 20 0 CEADMP Cc1cnn(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000341913306 216149781 /nfs/dbraw/zinc/14/97/81/216149781.db2.gz RQMWFINYFIOHJH-WBVHZDCISA-N 2 1 288.439 2.140 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000178320588 189106870 /nfs/dbraw/zinc/10/68/70/189106870.db2.gz QRFBOGSNCLNAED-OFQRWUPVSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000178320588 189106871 /nfs/dbraw/zinc/10/68/71/189106871.db2.gz QRFBOGSNCLNAED-OFQRWUPVSA-N 2 1 299.422 2.401 20 0 CEADMP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1O ZINC000178409375 189113575 /nfs/dbraw/zinc/11/35/75/189113575.db2.gz OHTXEEQTVAWQLI-DYEKYZERSA-N 2 1 278.396 2.219 20 0 CEADMP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1O ZINC000178409375 189113576 /nfs/dbraw/zinc/11/35/76/189113576.db2.gz OHTXEEQTVAWQLI-DYEKYZERSA-N 2 1 278.396 2.219 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OC)c2C)C1 ZINC000342058436 216204856 /nfs/dbraw/zinc/20/48/56/216204856.db2.gz IMHSMTNMHBMTDH-CQSZACIVSA-N 2 1 292.423 2.444 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178700975 189138243 /nfs/dbraw/zinc/13/82/43/189138243.db2.gz XIKVYIMLKJNZAM-VXGBXAGGSA-N 2 1 275.400 2.220 20 0 CEADMP CCn1cc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cn1 ZINC000178702350 189139040 /nfs/dbraw/zinc/13/90/40/189139040.db2.gz OYPCWIRKJPYGBF-OLZOCXBDSA-N 2 1 275.400 2.395 20 0 CEADMP COc1ccc([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000178971227 189158475 /nfs/dbraw/zinc/15/84/75/189158475.db2.gz RXJASFZYRAYOCC-MRXNPFEDSA-N 2 1 274.408 2.484 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342131657 216231276 /nfs/dbraw/zinc/23/12/76/216231276.db2.gz IKYRWAAODKWKGQ-SOUVJXGZSA-N 2 1 298.434 2.175 20 0 CEADMP CCO[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000675497009 540847803 /nfs/dbraw/zinc/84/78/03/540847803.db2.gz PJFHPBMWTNVLJX-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CCO[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000675497009 540847807 /nfs/dbraw/zinc/84/78/07/540847807.db2.gz PJFHPBMWTNVLJX-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CCO[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000675497009 540847811 /nfs/dbraw/zinc/84/78/11/540847811.db2.gz PJFHPBMWTNVLJX-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342146570 216237870 /nfs/dbraw/zinc/23/78/70/216237870.db2.gz TXEDQPSSKMKFQE-ZNMIVQPWSA-N 2 1 284.407 2.202 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H](CO)c2ccccc2C)CC1 ZINC000675926402 540883296 /nfs/dbraw/zinc/88/32/96/540883296.db2.gz PLZMPDULZGUAST-QGZVFWFLSA-N 2 1 276.424 2.492 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCc2ccc(O)cc2)CC[N@H+]1C ZINC000675891312 540879958 /nfs/dbraw/zinc/87/99/58/540879958.db2.gz NWXRKTSYQYZKRT-ZFWWWQNUSA-N 2 1 262.397 2.397 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000342214997 216265420 /nfs/dbraw/zinc/26/54/20/216265420.db2.gz ZUXUQGRZNZLKPN-UHFFFAOYSA-N 2 1 285.347 2.199 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000677440504 541015065 /nfs/dbraw/zinc/01/50/65/541015065.db2.gz LGXILLSEMKKIMO-CQSZACIVSA-N 2 1 277.412 2.361 20 0 CEADMP O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2ccco2)C1 ZINC000180991963 189285738 /nfs/dbraw/zinc/28/57/38/189285738.db2.gz LANQWHPUQKFFAP-INIZCTEOSA-N 2 1 286.375 2.136 20 0 CEADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccco2)C1 ZINC000180991963 189285740 /nfs/dbraw/zinc/28/57/40/189285740.db2.gz LANQWHPUQKFFAP-INIZCTEOSA-N 2 1 286.375 2.136 20 0 CEADMP COCC[NH2+]C1CC[NH+](CCCc2ccc(C)nc2)CC1 ZINC000579719133 366691984 /nfs/dbraw/zinc/69/19/84/366691984.db2.gz PZVPNWPTPHQFEX-UHFFFAOYSA-N 2 1 291.439 2.023 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000152673032 366709029 /nfs/dbraw/zinc/70/90/29/366709029.db2.gz ZXXLVMWKYCEAQR-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP CO[C@@H](C[NH2+]CCCCn1cc[nH+]c1C)C1CCOCC1 ZINC000638675506 370678802 /nfs/dbraw/zinc/67/88/02/370678802.db2.gz UHAMCCNWUTWJKN-INIZCTEOSA-N 2 1 295.427 2.003 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154602787 366780319 /nfs/dbraw/zinc/78/03/19/366780319.db2.gz JWVHESUZFICASB-ILXRZTDVSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@@H](CCC1CCCCC1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154289401 366767964 /nfs/dbraw/zinc/76/79/64/366767964.db2.gz RWIZILFSZYVCAD-ZFWWWQNUSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(CO)cc2)CC[N@@H+]1C ZINC000182824404 189336507 /nfs/dbraw/zinc/33/65/07/189336507.db2.gz DAEGZNZFWZAIDR-BBRMVZONSA-N 2 1 262.397 2.093 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(CO)cc2)CC[N@H+]1C ZINC000182824404 189336508 /nfs/dbraw/zinc/33/65/08/189336508.db2.gz DAEGZNZFWZAIDR-BBRMVZONSA-N 2 1 262.397 2.093 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(CO)cc2)CC[NH+]1C ZINC000182824404 189336509 /nfs/dbraw/zinc/33/65/09/189336509.db2.gz DAEGZNZFWZAIDR-BBRMVZONSA-N 2 1 262.397 2.093 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(CO)cc2)CC[NH+]1C ZINC000182824404 189336510 /nfs/dbraw/zinc/33/65/10/189336510.db2.gz DAEGZNZFWZAIDR-BBRMVZONSA-N 2 1 262.397 2.093 20 0 CEADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000571797146 299328963 /nfs/dbraw/zinc/32/89/63/299328963.db2.gz IWBPDWPVVKAVAU-HUUCEWRRSA-N 2 1 283.460 2.083 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678139124 541087332 /nfs/dbraw/zinc/08/73/32/541087332.db2.gz KFUYJEPTAHMJLY-UHFFFAOYSA-N 2 1 264.417 2.354 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2-n2cncn2)C1 ZINC000678285462 541111785 /nfs/dbraw/zinc/11/17/85/541111785.db2.gz DXQRXKGHTWLPEV-OAHLLOKOSA-N 2 1 299.422 2.041 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2-n2cncn2)C1 ZINC000678285462 541111789 /nfs/dbraw/zinc/11/17/89/541111789.db2.gz DXQRXKGHTWLPEV-OAHLLOKOSA-N 2 1 299.422 2.041 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2-n2cncn2)C1 ZINC000678285462 541111794 /nfs/dbraw/zinc/11/17/94/541111794.db2.gz DXQRXKGHTWLPEV-OAHLLOKOSA-N 2 1 299.422 2.041 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2-n2cncn2)C1 ZINC000678285462 541111799 /nfs/dbraw/zinc/11/17/99/541111799.db2.gz DXQRXKGHTWLPEV-OAHLLOKOSA-N 2 1 299.422 2.041 20 0 CEADMP C[NH+]1CCC([NH2+]CC(C)(C)[C@@H]2CCCCO2)CC1 ZINC000678597246 541156328 /nfs/dbraw/zinc/15/63/28/541156328.db2.gz DLZOIOYQLJQELQ-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000678604069 541157095 /nfs/dbraw/zinc/15/70/95/541157095.db2.gz YBOAYQRRCCGBCD-SLTXQBBLSA-N 3 1 267.461 2.179 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CC[N@H+]1C ZINC000678604069 541157098 /nfs/dbraw/zinc/15/70/98/541157098.db2.gz YBOAYQRRCCGBCD-SLTXQBBLSA-N 3 1 267.461 2.179 20 0 CEADMP COc1ccc(CN2CCC[C@@H](n3ccnc3)C2)nc1 ZINC000678883303 541187701 /nfs/dbraw/zinc/18/77/01/541187701.db2.gz SWAASENSASUABU-CQSZACIVSA-N 2 1 272.352 2.124 20 0 CEADMP Clc1ccc(OCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031993350 361724194 /nfs/dbraw/zinc/72/41/94/361724194.db2.gz FRLBECKCWKRSNE-HNNXBMFYSA-N 2 1 280.799 2.404 20 0 CEADMP Clc1ccc(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031993350 361724195 /nfs/dbraw/zinc/72/41/95/361724195.db2.gz FRLBECKCWKRSNE-HNNXBMFYSA-N 2 1 280.799 2.404 20 0 CEADMP C[C@@H](CCCCO)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000679330086 541256676 /nfs/dbraw/zinc/25/66/76/541256676.db2.gz XUAFCAQJGGZGGH-LSDHHAIUSA-N 2 1 256.434 2.392 20 0 CEADMP Cc1[nH]ncc1[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000679575710 541292924 /nfs/dbraw/zinc/29/29/24/541292924.db2.gz QSNHLGKVWLQFKY-NSHDSACASA-N 2 1 250.390 2.101 20 0 CEADMP CCOC(=O)N1CCC([NH2+]CC2([NH+](C)C)CCCC2)CC1 ZINC000089135868 363934879 /nfs/dbraw/zinc/93/48/79/363934879.db2.gz PTXPPUVTVQJMOP-UHFFFAOYSA-N 2 1 297.443 2.071 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(CC)(CC)CO)[C@@H](C)C1 ZINC000090800835 364065838 /nfs/dbraw/zinc/06/58/38/364065838.db2.gz DFEDESFNSGAAKP-KBPBESRZSA-N 2 1 256.434 2.105 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)CC1 ZINC000093132728 364142999 /nfs/dbraw/zinc/14/29/99/364142999.db2.gz BMYGNXIQXWNAOC-DLBZAZTESA-N 2 1 277.456 2.055 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)n2c1 ZINC000334649621 364133376 /nfs/dbraw/zinc/13/33/76/364133376.db2.gz LTOJHWQAKPQRJY-KBPBESRZSA-N 2 1 272.396 2.202 20 0 CEADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)n2c1 ZINC000334649621 364133384 /nfs/dbraw/zinc/13/33/84/364133384.db2.gz LTOJHWQAKPQRJY-KBPBESRZSA-N 2 1 272.396 2.202 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)[nH]1 ZINC000093083941 364137914 /nfs/dbraw/zinc/13/79/14/364137914.db2.gz SCDPBTBVPNCAPG-CYBMUJFWSA-N 2 1 293.411 2.155 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)[nH]1 ZINC000093083941 364137917 /nfs/dbraw/zinc/13/79/17/364137917.db2.gz SCDPBTBVPNCAPG-CYBMUJFWSA-N 2 1 293.411 2.155 20 0 CEADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccs2)CC1 ZINC000093147067 364147613 /nfs/dbraw/zinc/14/76/13/364147613.db2.gz DQPHHJRUEJXESB-HNNXBMFYSA-N 2 1 293.480 2.350 20 0 CEADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccs2)CC1 ZINC000093147067 364147614 /nfs/dbraw/zinc/14/76/14/364147614.db2.gz DQPHHJRUEJXESB-HNNXBMFYSA-N 2 1 293.480 2.350 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3([NH3+])CC3)cc2)C1 ZINC000237675506 370744478 /nfs/dbraw/zinc/74/44/78/370744478.db2.gz QRVJWLYVHWGSCK-ZDUSSCGKSA-N 2 1 287.407 2.348 20 0 CEADMP c1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c[nH]1 ZINC000093769315 364221205 /nfs/dbraw/zinc/22/12/05/364221205.db2.gz GYUQNIDULHPNQU-UHFFFAOYSA-N 2 1 276.428 2.498 20 0 CEADMP CCc1nc(C[NH+]2CCC(OCCC[NH3+])CC2)cs1 ZINC000094072149 364251152 /nfs/dbraw/zinc/25/11/52/364251152.db2.gz JQLPXUKKKNBWQZ-UHFFFAOYSA-N 2 1 283.441 2.035 20 0 CEADMP CCCc1nc(C[NH+]2CCC(OCCC[NH3+])CC2)cs1 ZINC000094072301 364251164 /nfs/dbraw/zinc/25/11/64/364251164.db2.gz RNIXWXYJWYIGHO-UHFFFAOYSA-N 2 1 297.468 2.425 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C(C)(C)O1 ZINC000094423816 364273888 /nfs/dbraw/zinc/27/38/88/364273888.db2.gz LMDAECWUHCVDBW-GXTWGEPZSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@@H+](Cc1ccc(Cl)nc1)C[C@@H]1CCC[NH2+]C1 ZINC000095071148 364331440 /nfs/dbraw/zinc/33/14/40/364331440.db2.gz VTKLFVQOWHFCKJ-LLVKDONJSA-N 2 1 253.777 2.166 20 0 CEADMP C[N@H+](Cc1ccc(Cl)nc1)C[C@@H]1CCC[NH2+]C1 ZINC000095071148 364331442 /nfs/dbraw/zinc/33/14/42/364331442.db2.gz VTKLFVQOWHFCKJ-LLVKDONJSA-N 2 1 253.777 2.166 20 0 CEADMP Oc1cc(F)cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000334867441 364280488 /nfs/dbraw/zinc/28/04/88/364280488.db2.gz FQFHZTBEZXHWAC-CJNGLKHVSA-N 2 1 278.371 2.495 20 0 CEADMP Oc1cc(F)cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000334867441 364280493 /nfs/dbraw/zinc/28/04/93/364280493.db2.gz FQFHZTBEZXHWAC-CJNGLKHVSA-N 2 1 278.371 2.495 20 0 CEADMP Cc1ncsc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334869074 364281549 /nfs/dbraw/zinc/28/15/49/364281549.db2.gz OMLDZWZXLBCKMN-CHWSQXEVSA-N 2 1 265.426 2.416 20 0 CEADMP Cc1ccc2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2c1 ZINC000334982011 364306469 /nfs/dbraw/zinc/30/64/69/364306469.db2.gz XMYXDINZPKMWQZ-HOTGVXAUSA-N 2 1 298.434 2.464 20 0 CEADMP FC1(F)CC[C@@H](C[N@H+]2CC[C@@H](CN3CCOCC3)C2)C1 ZINC000340292349 366837363 /nfs/dbraw/zinc/83/73/63/366837363.db2.gz UAUFZEBZBALOPB-KGLIPLIRSA-N 2 1 288.382 2.076 20 0 CEADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]2CCCO[C@@H]21 ZINC000157532626 366845869 /nfs/dbraw/zinc/84/58/69/366845869.db2.gz JFSSKDOJBJQBQS-QCODTGAPSA-N 2 1 278.440 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)CC[N@@H+]1C ZINC000158866311 366860122 /nfs/dbraw/zinc/86/01/22/366860122.db2.gz KCCQADFCCUFQAM-MGPQQGTHSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)CC[N@H+]1C ZINC000158866311 366860125 /nfs/dbraw/zinc/86/01/25/366860125.db2.gz KCCQADFCCUFQAM-MGPQQGTHSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CC[C@H]1CCCCO1)CC[NH2+]CC2 ZINC000335281848 364678640 /nfs/dbraw/zinc/67/86/40/364678640.db2.gz ZTXUGNMZQBLLDX-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP CCC(CC)[C@H](C[NH2+]C[C@H]1CCCOC1)[NH+](C)C ZINC000104310268 364692101 /nfs/dbraw/zinc/69/21/01/364692101.db2.gz RVMWCRVIZHFITC-HIFRSBDPSA-N 2 1 256.434 2.369 20 0 CEADMP Cc1[nH+]ccn1CCN1CCOc2c(F)cccc2C1 ZINC000335452466 364752061 /nfs/dbraw/zinc/75/20/61/364752061.db2.gz AITYKMAPDBZGIV-UHFFFAOYSA-N 2 1 275.327 2.225 20 0 CEADMP Cn1c2ccccc2nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335632594 212347162 /nfs/dbraw/zinc/34/71/62/212347162.db2.gz HTDBWNGZNHJQBB-CABCVRRESA-N 2 1 298.434 2.395 20 0 CEADMP C1CCC([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000335640816 212355985 /nfs/dbraw/zinc/35/59/85/212355985.db2.gz AAWMAOSYQXAZCF-UHFFFAOYSA-N 2 1 265.445 2.125 20 0 CEADMP CC1(C[NH2+][C@H]2C[C@H](N)c3ccccc32)CC[NH2+]CC1 ZINC000335568840 364806269 /nfs/dbraw/zinc/80/62/69/364806269.db2.gz MKGHRZUSGJVBRD-GJZGRUSLSA-N 2 1 259.397 2.111 20 0 CEADMP c1[nH]nc2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)ccc12 ZINC000335631335 212344876 /nfs/dbraw/zinc/34/48/76/212344876.db2.gz AVVPHGZIMXPQHO-GOEBONIOSA-N 2 1 284.407 2.384 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC=CCC1 ZINC000680333725 541393405 /nfs/dbraw/zinc/39/34/05/541393405.db2.gz AOOUFUAYQORPNL-UHFFFAOYSA-N 2 1 254.337 2.338 20 0 CEADMP CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515768 364903515 /nfs/dbraw/zinc/90/35/15/364903515.db2.gz GBIVMNQODSUAIY-CQSZACIVSA-N 2 1 262.397 2.469 20 0 CEADMP CCOc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515768 364903521 /nfs/dbraw/zinc/90/35/21/364903521.db2.gz GBIVMNQODSUAIY-CQSZACIVSA-N 2 1 262.397 2.469 20 0 CEADMP COC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CCCC1 ZINC000335752928 364932731 /nfs/dbraw/zinc/93/27/31/364932731.db2.gz ZODGUZAAFHMPER-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114453665 364945451 /nfs/dbraw/zinc/94/54/51/364945451.db2.gz FCSIKQJOTAWQBL-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000335780418 364972595 /nfs/dbraw/zinc/97/25/95/364972595.db2.gz NLLBZQANMIHHTD-AAEUAGOBSA-N 2 1 290.436 2.318 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000335780418 364972601 /nfs/dbraw/zinc/97/26/01/364972601.db2.gz NLLBZQANMIHHTD-AAEUAGOBSA-N 2 1 290.436 2.318 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)[C@H](C)C1 ZINC000118982831 365195887 /nfs/dbraw/zinc/19/58/87/365195887.db2.gz FELZTWAUOIGNOB-JOTOCRJQSA-N 2 1 294.464 2.244 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)[C@H](C)C1 ZINC000118982831 365195894 /nfs/dbraw/zinc/19/58/94/365195894.db2.gz FELZTWAUOIGNOB-JOTOCRJQSA-N 2 1 294.464 2.244 20 0 CEADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cncs2)C1 ZINC000335998268 365270657 /nfs/dbraw/zinc/27/06/57/365270657.db2.gz SJDFYDHPKYVDOT-WCQYABFASA-N 2 1 251.399 2.059 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cncs2)C1 ZINC000335998268 365270660 /nfs/dbraw/zinc/27/06/60/365270660.db2.gz SJDFYDHPKYVDOT-WCQYABFASA-N 2 1 251.399 2.059 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cncs2)C1 ZINC000335998268 365270663 /nfs/dbraw/zinc/27/06/63/365270663.db2.gz SJDFYDHPKYVDOT-WCQYABFASA-N 2 1 251.399 2.059 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cncs2)C1 ZINC000335998268 365270665 /nfs/dbraw/zinc/27/06/65/365270665.db2.gz SJDFYDHPKYVDOT-WCQYABFASA-N 2 1 251.399 2.059 20 0 CEADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)nc1 ZINC000335997941 365270775 /nfs/dbraw/zinc/27/07/75/365270775.db2.gz WMQQQCHZCACJCA-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)nc1 ZINC000335997941 365270778 /nfs/dbraw/zinc/27/07/78/365270778.db2.gz WMQQQCHZCACJCA-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)nc1 ZINC000335997941 365270782 /nfs/dbraw/zinc/27/07/82/365270782.db2.gz WMQQQCHZCACJCA-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000582249277 366885080 /nfs/dbraw/zinc/88/50/80/366885080.db2.gz JWRZFOWQNBJDKP-DZGCQCFKSA-N 2 1 262.397 2.439 20 0 CEADMP CSC1(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCC1 ZINC000336113224 365425199 /nfs/dbraw/zinc/42/51/99/365425199.db2.gz PPWYHPKARQTNLK-CYBMUJFWSA-N 2 1 254.443 2.300 20 0 CEADMP CSC1(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CCC1 ZINC000336113224 365425202 /nfs/dbraw/zinc/42/52/02/365425202.db2.gz PPWYHPKARQTNLK-CYBMUJFWSA-N 2 1 254.443 2.300 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000582367871 366901931 /nfs/dbraw/zinc/90/19/31/366901931.db2.gz IVFLQXFRANSCLA-ZFWWWQNUSA-N 2 1 270.380 2.184 20 0 CEADMP Cc1cnccc1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000120884512 365489248 /nfs/dbraw/zinc/48/92/48/365489248.db2.gz VMXAMMOTHKELDQ-CHWSQXEVSA-N 2 1 276.384 2.336 20 0 CEADMP CCC[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000120922097 365494816 /nfs/dbraw/zinc/49/48/16/365494816.db2.gz CNIYYFIZJUXWPD-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP COCc1cccc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000582632574 366937831 /nfs/dbraw/zinc/93/78/31/366937831.db2.gz ARYLAQYGJVPUBO-UHFFFAOYSA-N 2 1 250.386 2.217 20 0 CEADMP COCc1cccc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000582632574 366937840 /nfs/dbraw/zinc/93/78/40/366937840.db2.gz ARYLAQYGJVPUBO-UHFFFAOYSA-N 2 1 250.386 2.217 20 0 CEADMP Cc1ccc(C[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c(C)c1 ZINC000582959802 366981788 /nfs/dbraw/zinc/98/17/88/366981788.db2.gz NUNUOBWEGJHGMY-YJBOKZPZSA-N 2 1 290.451 2.279 20 0 CEADMP Cc1ccc(C[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c(C)c1 ZINC000582959802 366981789 /nfs/dbraw/zinc/98/17/89/366981789.db2.gz NUNUOBWEGJHGMY-YJBOKZPZSA-N 2 1 290.451 2.279 20 0 CEADMP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1c[nH+]ccc1N ZINC000583032494 366991609 /nfs/dbraw/zinc/99/16/09/366991609.db2.gz PPCMJFJWLVLVGO-GFCCVEGCSA-N 3 1 274.412 2.019 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C)C2(CCCCC2)C1 ZINC000583330407 367033441 /nfs/dbraw/zinc/03/34/41/367033441.db2.gz YPHGQZTXIDPHFJ-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP Cn1cncc1CCC[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000584478618 367163913 /nfs/dbraw/zinc/16/39/13/367163913.db2.gz XKFQTPLHLUGUBW-IRXDYDNUSA-N 2 1 285.391 2.161 20 0 CEADMP Cc1ccccc1[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163183357 367221929 /nfs/dbraw/zinc/22/19/29/367221929.db2.gz WAKKFKYSYIPCNJ-FMKPAKJESA-N 2 1 262.397 2.101 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](n2cccn2)C1 ZINC000162891073 367200145 /nfs/dbraw/zinc/20/01/45/367200145.db2.gz IKYBSHFSTZHSGH-CABCVRRESA-N 2 1 262.401 2.004 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000162891073 367200152 /nfs/dbraw/zinc/20/01/52/367200152.db2.gz IKYBSHFSTZHSGH-CABCVRRESA-N 2 1 262.401 2.004 20 0 CEADMP COC1CC[NH+](C2(C[NH2+]CC3CC3)CCCC2)CC1 ZINC000341292149 367271491 /nfs/dbraw/zinc/27/14/91/367271491.db2.gz QHOMTVKYYAKORD-UHFFFAOYSA-N 2 1 266.429 2.410 20 0 CEADMP C[NH+]1CCC([NH2+]CCCc2ccccc2F)CC1 ZINC000341358384 367301929 /nfs/dbraw/zinc/30/19/29/367301929.db2.gz FFJSAZGALFZNKE-UHFFFAOYSA-N 2 1 250.361 2.442 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000165642204 367310958 /nfs/dbraw/zinc/31/09/58/367310958.db2.gz ZEEOEZURISDLJZ-GJZGRUSLSA-N 2 1 268.445 2.249 20 0 CEADMP CCc1nc(NCCC[NH+]2CCCCC2)cc(C)[nH+]1 ZINC000341393847 367319358 /nfs/dbraw/zinc/31/93/58/367319358.db2.gz WTGRMQNOEOAKCF-UHFFFAOYSA-N 2 1 262.401 2.057 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CC(N)=O)cc1 ZINC000166671414 367326979 /nfs/dbraw/zinc/32/69/79/367326979.db2.gz WHSVPPIYEQELMI-RYUDHWBXSA-N 2 1 286.379 2.095 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631653699 367469111 /nfs/dbraw/zinc/46/91/11/367469111.db2.gz ZHPVBTNOSGWPLC-JONQDZQNSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342813164 367551870 /nfs/dbraw/zinc/55/18/70/367551870.db2.gz GZSADNLLHUCWMT-IUODEOHRSA-N 2 1 272.396 2.035 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3CCOC4)C[C@H]21 ZINC000631823347 367560908 /nfs/dbraw/zinc/56/09/08/367560908.db2.gz BZBCGTGBJOVPDS-ZTFGCOKTSA-N 2 1 286.419 2.319 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000342766937 367522091 /nfs/dbraw/zinc/52/20/91/367522091.db2.gz YWVKESIVMKZVTJ-RBSFLKMASA-N 2 1 295.471 2.001 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834276 367573686 /nfs/dbraw/zinc/57/36/86/367573686.db2.gz TXXVHRJBGDXQBV-OAHLLOKOSA-N 2 1 261.413 2.456 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834276 367573696 /nfs/dbraw/zinc/57/36/96/367573696.db2.gz TXXVHRJBGDXQBV-OAHLLOKOSA-N 2 1 261.413 2.456 20 0 CEADMP Cc1cccc([C@@H](C)[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000631864844 367600049 /nfs/dbraw/zinc/60/00/49/367600049.db2.gz YQBJETNJYCRMGA-CQSZACIVSA-N 2 1 262.397 2.102 20 0 CEADMP c1ccc(OCCC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000631868186 367602609 /nfs/dbraw/zinc/60/26/09/367602609.db2.gz ZTAFXFAAPWFKIH-ZBFHGGJFSA-N 2 1 260.381 2.187 20 0 CEADMP Cc1cccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886007 367609328 /nfs/dbraw/zinc/60/93/28/367609328.db2.gz GJDYFEZVETZHEI-WBVHZDCISA-N 2 1 274.408 2.448 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)c1C ZINC000631889112 367610534 /nfs/dbraw/zinc/61/05/34/367610534.db2.gz FXPKJQOAKSNRFK-GDBMZVCRSA-N 2 1 289.423 2.281 20 0 CEADMP CC[NH+](CC)[C@H](CN[C@H]1C[N@@H+](C)C[C@H]1C)CC(C)C ZINC000343267907 367733611 /nfs/dbraw/zinc/73/36/11/367733611.db2.gz HLKXFSZVGWTAGG-PMPSAXMXSA-N 2 1 269.477 2.283 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000245917272 370887532 /nfs/dbraw/zinc/88/75/32/370887532.db2.gz SBQNBLZTMHSGPC-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000245917272 370887539 /nfs/dbraw/zinc/88/75/39/370887539.db2.gz SBQNBLZTMHSGPC-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000245917272 370887546 /nfs/dbraw/zinc/88/75/46/370887546.db2.gz SBQNBLZTMHSGPC-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP COc1ccc(OC)c([C@H](C)N[C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000358055695 370888178 /nfs/dbraw/zinc/88/81/78/370888178.db2.gz CCRMKVGJUXJXOK-TYNCELHUSA-N 2 1 278.396 2.305 20 0 CEADMP COc1ccc(OC)c([C@H](C)N[C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000358055695 370888181 /nfs/dbraw/zinc/88/81/81/370888181.db2.gz CCRMKVGJUXJXOK-TYNCELHUSA-N 2 1 278.396 2.305 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1nccs1 ZINC000358032913 370876521 /nfs/dbraw/zinc/87/65/21/370876521.db2.gz DECBDTDYYRBYSS-AGIUHOORSA-N 2 1 267.442 2.394 20 0 CEADMP COc1ccsc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343612804 367916868 /nfs/dbraw/zinc/91/68/68/367916868.db2.gz JHXVFXNWXCZNEP-NWDGAFQWSA-N 2 1 266.410 2.473 20 0 CEADMP COc1ccsc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000343612804 367916871 /nfs/dbraw/zinc/91/68/71/367916871.db2.gz JHXVFXNWXCZNEP-NWDGAFQWSA-N 2 1 266.410 2.473 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000344037604 368104568 /nfs/dbraw/zinc/10/45/68/368104568.db2.gz XSDDVJGCTHCRRV-OAGGEKHMSA-N 2 1 276.424 2.160 20 0 CEADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+](CC)C[C@H]1C ZINC000345162796 368176069 /nfs/dbraw/zinc/17/60/69/368176069.db2.gz KXYCNYCNNXHYPO-CABCVRRESA-N 2 1 255.450 2.038 20 0 CEADMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000345162796 368176077 /nfs/dbraw/zinc/17/60/77/368176077.db2.gz KXYCNYCNNXHYPO-CABCVRRESA-N 2 1 255.450 2.038 20 0 CEADMP C[C@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CCC[N@@H+]1C ZINC000345323894 368236313 /nfs/dbraw/zinc/23/63/13/368236313.db2.gz PYSIPKJZNSDSJW-AAEUAGOBSA-N 2 1 295.452 2.022 20 0 CEADMP C[C@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CCC[N@H+]1C ZINC000345323894 368236316 /nfs/dbraw/zinc/23/63/16/368236316.db2.gz PYSIPKJZNSDSJW-AAEUAGOBSA-N 2 1 295.452 2.022 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)C(C)(C)C[NH+]2CCCC2)CC[N@H+]1C ZINC000633454842 368259785 /nfs/dbraw/zinc/25/97/85/368259785.db2.gz PBTVCHLVZNPTPT-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)Cn2cccn2)C1 ZINC000345248667 368207518 /nfs/dbraw/zinc/20/75/18/368207518.db2.gz OKXBEHGZYKVVPP-HZPDHXFCSA-N 2 1 278.444 2.229 20 0 CEADMP C[C@H](C[NH+](C)C)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000346189142 368584719 /nfs/dbraw/zinc/58/47/19/368584719.db2.gz FQKKMAKQXBEZTK-RISCZKNCSA-N 2 1 297.830 2.009 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCn2ccnc2C)C12CCC2 ZINC000346299411 368626334 /nfs/dbraw/zinc/62/63/34/368626334.db2.gz AVGYHGIUWKUYLI-HUUCEWRRSA-N 2 1 277.412 2.471 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@H+](C)CCn2cc[nH+]c2C)C12CCC2 ZINC000346299411 368626340 /nfs/dbraw/zinc/62/63/40/368626340.db2.gz AVGYHGIUWKUYLI-HUUCEWRRSA-N 2 1 277.412 2.471 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2C)C12CCC2 ZINC000346299411 368626348 /nfs/dbraw/zinc/62/63/48/368626348.db2.gz AVGYHGIUWKUYLI-HUUCEWRRSA-N 2 1 277.412 2.471 20 0 CEADMP CCO[C@H]1C[C@@H]([N@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346310649 368630229 /nfs/dbraw/zinc/63/02/29/368630229.db2.gz NEHKGSRYCHBRSN-KGLIPLIRSA-N 2 1 265.401 2.327 20 0 CEADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346310649 368630238 /nfs/dbraw/zinc/63/02/38/368630238.db2.gz NEHKGSRYCHBRSN-KGLIPLIRSA-N 2 1 265.401 2.327 20 0 CEADMP C[C@H](CCN[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000184504615 368700451 /nfs/dbraw/zinc/70/04/51/368700451.db2.gz XQIQLCQJDLJMGE-OAGGEKHMSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000358087088 370899318 /nfs/dbraw/zinc/89/93/18/370899318.db2.gz PLLMIVAEBVQARK-BXUZGUMPSA-N 2 1 284.350 2.273 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC(F)F)C[C@@H]1C ZINC000346448496 368678213 /nfs/dbraw/zinc/67/82/13/368678213.db2.gz SWLCOHPMQUEZAL-RYUDHWBXSA-N 2 1 264.360 2.073 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC(F)F)C[C@@H]1C ZINC000346448496 368678220 /nfs/dbraw/zinc/67/82/20/368678220.db2.gz SWLCOHPMQUEZAL-RYUDHWBXSA-N 2 1 264.360 2.073 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC(F)F)C[C@@H]1C ZINC000346448496 368678225 /nfs/dbraw/zinc/67/82/25/368678225.db2.gz SWLCOHPMQUEZAL-RYUDHWBXSA-N 2 1 264.360 2.073 20 0 CEADMP COCCCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000346693617 368775733 /nfs/dbraw/zinc/77/57/33/368775733.db2.gz OHNHOYNHPVDVPV-GOEBONIOSA-N 2 1 292.423 2.271 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1c[nH]nc1-c1cccnc1 ZINC000346681999 368767492 /nfs/dbraw/zinc/76/74/92/368767492.db2.gz OUHASDBBHWRYCB-OAHLLOKOSA-N 2 1 287.411 2.277 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(OC(F)F)c1 ZINC000346685541 368768850 /nfs/dbraw/zinc/76/88/50/368768850.db2.gz SUYJRYPKTMEIFW-CMPLNLGQSA-N 2 1 270.323 2.457 20 0 CEADMP COc1cc(C)c(C[N@H+](C)CC(C)(C)C[NH3+])c(C)n1 ZINC000346688625 368771447 /nfs/dbraw/zinc/77/14/47/368771447.db2.gz YDZLAPRLIBQIJT-UHFFFAOYSA-N 2 1 265.401 2.124 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)CC(C)(C)C[NH3+])c(C)n1 ZINC000346688625 368771455 /nfs/dbraw/zinc/77/14/55/368771455.db2.gz YDZLAPRLIBQIJT-UHFFFAOYSA-N 2 1 265.401 2.124 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH2+]CC1 ZINC000346690075 368773113 /nfs/dbraw/zinc/77/31/13/368773113.db2.gz RTOIXVXGMKPKSL-UHFFFAOYSA-N 2 1 275.440 2.050 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1-c1ccccc1 ZINC000346644376 368747846 /nfs/dbraw/zinc/74/78/46/368747846.db2.gz DHNLAEOEDNEJDX-UONOGXRCSA-N 2 1 284.407 2.256 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1-c1ccccc1 ZINC000346644373 368748356 /nfs/dbraw/zinc/74/83/56/368748356.db2.gz DHNLAEOEDNEJDX-KBPBESRZSA-N 2 1 284.407 2.256 20 0 CEADMP COCCCOc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000346692305 368774884 /nfs/dbraw/zinc/77/48/84/368774884.db2.gz YBWQGXAJOKOEAX-GDBMZVCRSA-N 2 1 292.423 2.271 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000346659647 368757838 /nfs/dbraw/zinc/75/78/38/368757838.db2.gz VHKXEGQXRPCKRT-UKRRQHHQSA-N 2 1 284.407 2.256 20 0 CEADMP Cc1cc(N2CC[N@H+]3CCC[C@@H]3C2)nc(C(C)C)n1 ZINC000347154376 368801387 /nfs/dbraw/zinc/80/13/87/368801387.db2.gz QSCOFCNRLFJYNE-CYBMUJFWSA-N 2 1 260.385 2.193 20 0 CEADMP CC[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)[NH+]1CCCC1 ZINC000634678110 368807723 /nfs/dbraw/zinc/80/77/23/368807723.db2.gz ITPGBWSONUBEGU-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)[NH+]1CCCC1 ZINC000634678111 368807890 /nfs/dbraw/zinc/80/78/90/368807890.db2.gz ITPGBWSONUBEGU-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185490946 368814109 /nfs/dbraw/zinc/81/41/09/368814109.db2.gz PIYYBFIITUEZHW-KRWDZBQOSA-N 2 1 288.435 2.454 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000185565878 368824222 /nfs/dbraw/zinc/82/42/22/368824222.db2.gz YAUNLAYFALBARE-ZIAGYGMSSA-N 2 1 266.360 2.494 20 0 CEADMP CC[C@@H]1C[C@H]1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715893 368836154 /nfs/dbraw/zinc/83/61/54/368836154.db2.gz LOAWJZPGUOYKFW-FGTMMUONSA-N 2 1 288.435 2.259 20 0 CEADMP CC[C@@H]1C[C@H]1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715893 368836159 /nfs/dbraw/zinc/83/61/59/368836159.db2.gz LOAWJZPGUOYKFW-FGTMMUONSA-N 2 1 288.435 2.259 20 0 CEADMP CC/C=C\C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634716224 368836913 /nfs/dbraw/zinc/83/69/13/368836913.db2.gz QRLJVXQBKUMCMF-KNYPUDEUSA-N 2 1 274.408 2.179 20 0 CEADMP CC/C=C\C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716224 368836915 /nfs/dbraw/zinc/83/69/15/368836915.db2.gz QRLJVXQBKUMCMF-KNYPUDEUSA-N 2 1 274.408 2.179 20 0 CEADMP CCCCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634637626 368790624 /nfs/dbraw/zinc/79/06/24/368790624.db2.gz YIJZTDOQTDASNH-QGZVFWFLSA-N 2 1 276.424 2.403 20 0 CEADMP CCCCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634637626 368790628 /nfs/dbraw/zinc/79/06/28/368790628.db2.gz YIJZTDOQTDASNH-QGZVFWFLSA-N 2 1 276.424 2.403 20 0 CEADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346840667 368790606 /nfs/dbraw/zinc/79/06/06/368790606.db2.gz GCXGGAOFBGPSFC-LSDHHAIUSA-N 2 1 299.422 2.260 20 0 CEADMP COc1cc2c(c(C[N@@H+]3CCC[C@H](C[NH3+])C3)c1)O[C@@H](C)C2 ZINC000347022403 368796530 /nfs/dbraw/zinc/79/65/30/368796530.db2.gz OEEGDYRQOIVXSO-QWHCGFSZSA-N 2 1 290.407 2.189 20 0 CEADMP COc1cc2c(c(C[N@H+]3CCC[C@H](C[NH3+])C3)c1)O[C@@H](C)C2 ZINC000347022403 368796533 /nfs/dbraw/zinc/79/65/33/368796533.db2.gz OEEGDYRQOIVXSO-QWHCGFSZSA-N 2 1 290.407 2.189 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](C)CC2CCOCC2)C1 ZINC000347067484 368797949 /nfs/dbraw/zinc/79/79/49/368797949.db2.gz MUXVIUUKGYDQAG-HOCLYGCPSA-N 2 1 268.445 2.371 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@]1(C)C1CCCCC1)C1CC1 ZINC000634652331 368798620 /nfs/dbraw/zinc/79/86/20/368798620.db2.gz NWUMMEDGWANVTQ-IAGOWNOFSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@]1(C)C1CCCCC1)C1CC1 ZINC000634652331 368798622 /nfs/dbraw/zinc/79/86/22/368798622.db2.gz NWUMMEDGWANVTQ-IAGOWNOFSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@]1(C)C1CCCCC1)C1CC1 ZINC000634652331 368798624 /nfs/dbraw/zinc/79/86/24/368798624.db2.gz NWUMMEDGWANVTQ-IAGOWNOFSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@]1(C)C1CCCCC1)C1CC1 ZINC000634652331 368798626 /nfs/dbraw/zinc/79/86/26/368798626.db2.gz NWUMMEDGWANVTQ-IAGOWNOFSA-N 2 1 280.456 2.486 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@H]3CC[NH2+][C@@H](C)C3)c2c1C ZINC000634808490 368897458 /nfs/dbraw/zinc/89/74/58/368897458.db2.gz VAYUDECILKVBTL-KWQFWETISA-N 2 1 259.357 2.127 20 0 CEADMP CC(C)NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185748989 368853694 /nfs/dbraw/zinc/85/36/94/368853694.db2.gz FHKGXTOFWXOJIH-LSDHHAIUSA-N 2 1 295.471 2.144 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)[C@H](C)C1 ZINC000348266134 368976508 /nfs/dbraw/zinc/97/65/08/368976508.db2.gz BFXKSUWSXJOATQ-ZOBORPQBSA-N 2 1 290.398 2.367 20 0 CEADMP CN(Cc1ncc(C[NH+](C)C)s1)CC1([NH+](C)C)CCC1 ZINC000348219218 368954540 /nfs/dbraw/zinc/95/45/40/368954540.db2.gz YRJHZBSPZQBJHH-UHFFFAOYSA-N 2 1 296.484 2.121 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H](CO)c2ccccc2Cl)CC1 ZINC000348319701 369001025 /nfs/dbraw/zinc/00/10/25/369001025.db2.gz GOYRIGKCOHJHEC-GFCCVEGCSA-N 2 1 282.815 2.100 20 0 CEADMP CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)CC12CC(C1)C[NH2+]2 ZINC000634993010 369021956 /nfs/dbraw/zinc/02/19/56/369021956.db2.gz ISYPZOCOJFKVGK-LXPRWKDFSA-N 2 1 288.435 2.258 20 0 CEADMP CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)CC12CC(C1)C[NH2+]2 ZINC000634993010 369021960 /nfs/dbraw/zinc/02/19/60/369021960.db2.gz ISYPZOCOJFKVGK-LXPRWKDFSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1C[C@H](CN2CCC(C)([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000634999251 369033942 /nfs/dbraw/zinc/03/39/42/369033942.db2.gz ROGOQQMWNIQTBN-HZPDHXFCSA-N 2 1 279.472 2.325 20 0 CEADMP OCC[NH2+]C1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000635001026 369035215 /nfs/dbraw/zinc/03/52/15/369035215.db2.gz BWINFDCELQULCS-UHFFFAOYSA-N 2 1 290.432 2.448 20 0 CEADMP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1nccn1C ZINC000635003965 369040284 /nfs/dbraw/zinc/04/02/84/369040284.db2.gz CCUAEJTYOWJSRA-HIFRSBDPSA-N 2 1 272.396 2.031 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634957798 368991641 /nfs/dbraw/zinc/99/16/41/368991641.db2.gz XUJFRKNTRFOTNE-OAHLLOKOSA-N 2 1 284.407 2.450 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000348303977 368993948 /nfs/dbraw/zinc/99/39/48/368993948.db2.gz RGEFTFNNCGZYBA-CVEARBPZSA-N 2 1 278.444 2.410 20 0 CEADMP C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)[C@H]1CCCC[NH2+]1 ZINC000635013014 369051148 /nfs/dbraw/zinc/05/11/48/369051148.db2.gz PWZLRKWYWJEQNX-GHMZBOCLSA-N 2 1 290.333 2.022 20 0 CEADMP C[C@](C[NH3+])([NH2+]CCCc1cccc(F)c1)C1CC1 ZINC000348752672 369142853 /nfs/dbraw/zinc/14/28/53/369142853.db2.gz VSLVMNXMCYYLQK-OAHLLOKOSA-N 2 1 250.361 2.475 20 0 CEADMP COC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC1 ZINC000682942016 541737904 /nfs/dbraw/zinc/73/79/04/541737904.db2.gz HSGCGTRXKGYYOT-INIZCTEOSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000187723379 369210963 /nfs/dbraw/zinc/21/09/63/369210963.db2.gz MYUQDEZGABCTOG-ZMSDIMECSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000187723379 369210965 /nfs/dbraw/zinc/21/09/65/369210965.db2.gz MYUQDEZGABCTOG-ZMSDIMECSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000187723379 369210969 /nfs/dbraw/zinc/21/09/69/369210969.db2.gz MYUQDEZGABCTOG-ZMSDIMECSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000187723379 369210970 /nfs/dbraw/zinc/21/09/70/369210970.db2.gz MYUQDEZGABCTOG-ZMSDIMECSA-N 2 1 276.424 2.352 20 0 CEADMP CC(C)C[C@@H](CNC(=O)[C@H]1CC[N@H+]1C1CCCC1)[NH+](C)C ZINC000635556436 369218329 /nfs/dbraw/zinc/21/83/29/369218329.db2.gz OQHZRZAKBDWCTB-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000572778913 299398897 /nfs/dbraw/zinc/39/88/97/299398897.db2.gz YVHOXKLFLQRQFF-DLBZAZTESA-N 2 1 291.439 2.226 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000572778913 299398900 /nfs/dbraw/zinc/39/89/00/299398900.db2.gz YVHOXKLFLQRQFF-DLBZAZTESA-N 2 1 291.439 2.226 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)CC(C)(C)COC ZINC000349058955 369231434 /nfs/dbraw/zinc/23/14/34/369231434.db2.gz AOFUTYTWQVTVDI-MRXNPFEDSA-N 2 1 299.503 2.007 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC000635598296 369238677 /nfs/dbraw/zinc/23/86/77/369238677.db2.gz WWWZDLGNCVUTKW-HUUCEWRRSA-N 2 1 297.487 2.296 20 0 CEADMP CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC000635598296 369238679 /nfs/dbraw/zinc/23/86/79/369238679.db2.gz WWWZDLGNCVUTKW-HUUCEWRRSA-N 2 1 297.487 2.296 20 0 CEADMP CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC000635598296 369238680 /nfs/dbraw/zinc/23/86/80/369238680.db2.gz WWWZDLGNCVUTKW-HUUCEWRRSA-N 2 1 297.487 2.296 20 0 CEADMP CCCn1cc(C[N@H+](C)CCCn2cc[nH+]c2C)cn1 ZINC000349345823 369304586 /nfs/dbraw/zinc/30/45/86/369304586.db2.gz JDHSSUHVVVAMJJ-UHFFFAOYSA-N 2 1 275.400 2.320 20 0 CEADMP CCCn1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)cn1 ZINC000349345823 369304591 /nfs/dbraw/zinc/30/45/91/369304591.db2.gz JDHSSUHVVVAMJJ-UHFFFAOYSA-N 2 1 275.400 2.320 20 0 CEADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C(=O)NC)cc1 ZINC000349414545 369323354 /nfs/dbraw/zinc/32/33/54/369323354.db2.gz GZAYWTOKWRTQTO-UHFFFAOYSA-N 2 1 291.439 2.210 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(=O)NC)cc1 ZINC000349414545 369323357 /nfs/dbraw/zinc/32/33/57/369323357.db2.gz GZAYWTOKWRTQTO-UHFFFAOYSA-N 2 1 291.439 2.210 20 0 CEADMP CC[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000188676908 369391935 /nfs/dbraw/zinc/39/19/35/369391935.db2.gz JFHCFWWRLRNBRJ-INIZCTEOSA-N 2 1 294.414 2.193 20 0 CEADMP O[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000188839301 369418150 /nfs/dbraw/zinc/41/81/50/369418150.db2.gz XCLRBOYEOLQTAD-SJLPKXTDSA-N 2 1 288.435 2.402 20 0 CEADMP CCc1ccccc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000189037347 369446635 /nfs/dbraw/zinc/44/66/35/369446635.db2.gz LSDPOPOLMDCKDD-INIZCTEOSA-N 2 1 288.435 2.403 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000246571152 370979765 /nfs/dbraw/zinc/97/97/65/370979765.db2.gz VAGZORDMVRAHAY-QLFBSQMISA-N 2 1 295.471 2.001 20 0 CEADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358261850 370980392 /nfs/dbraw/zinc/98/03/92/370980392.db2.gz ZTBBAKDEKKKYLB-BZSNNMDCSA-N 2 1 288.435 2.287 20 0 CEADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358261850 370980394 /nfs/dbraw/zinc/98/03/94/370980394.db2.gz ZTBBAKDEKKKYLB-BZSNNMDCSA-N 2 1 288.435 2.287 20 0 CEADMP CC[C@H](C[NH2+]C1CC(OC(C)C)C1)[NH+]1CCCC1 ZINC000189517416 369529341 /nfs/dbraw/zinc/52/93/41/369529341.db2.gz CZJXZEUBJYZFAI-SHARSMKWSA-N 2 1 254.418 2.406 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000358264044 370981470 /nfs/dbraw/zinc/98/14/70/370981470.db2.gz YCCBWOQQGLQRFS-SQNIBIBYSA-N 2 1 288.435 2.369 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000358264044 370981475 /nfs/dbraw/zinc/98/14/75/370981475.db2.gz YCCBWOQQGLQRFS-SQNIBIBYSA-N 2 1 288.435 2.369 20 0 CEADMP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000352727721 369857911 /nfs/dbraw/zinc/85/79/11/369857911.db2.gz SZEHVFZXRJRYEK-HOCLYGCPSA-N 2 1 296.480 2.315 20 0 CEADMP CSCCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352746558 369864598 /nfs/dbraw/zinc/86/45/98/369864598.db2.gz BVKHPZRTXSPVFZ-UHFFFAOYSA-N 2 1 273.471 2.438 20 0 CEADMP OCCCC[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000194212034 370015518 /nfs/dbraw/zinc/01/55/18/370015518.db2.gz CEVDKSRVUIVCOU-KSZLIROESA-N 2 1 288.435 2.259 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2CCC=CO2)cn1 ZINC000194240838 370017881 /nfs/dbraw/zinc/01/78/81/370017881.db2.gz FAVZVBFKNSZPBW-OAHLLOKOSA-N 2 1 284.363 2.358 20 0 CEADMP C[C@@H]1CSC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000353014795 369982237 /nfs/dbraw/zinc/98/22/37/369982237.db2.gz FBGHWFQWOKXZAA-MWLCHTKSSA-N 2 1 271.455 2.046 20 0 CEADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353455478 370113692 /nfs/dbraw/zinc/11/36/92/370113692.db2.gz REAROPHUENOMFH-BRWVUGGUSA-N 2 1 279.472 2.323 20 0 CEADMP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C2 ZINC000353485628 370114361 /nfs/dbraw/zinc/11/43/61/370114361.db2.gz UNVHECPFHMMRHO-IMJJTQAJSA-N 2 1 274.408 2.228 20 0 CEADMP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C2 ZINC000353485628 370114367 /nfs/dbraw/zinc/11/43/67/370114367.db2.gz UNVHECPFHMMRHO-IMJJTQAJSA-N 2 1 274.408 2.228 20 0 CEADMP CCC1(C[NH2+][C@@H]2CCc3[nH]cnc3C2)CCOCC1 ZINC000353213521 370075139 /nfs/dbraw/zinc/07/51/39/370075139.db2.gz APORTPMOWKTBRG-GFCCVEGCSA-N 2 1 263.385 2.063 20 0 CEADMP C[NH+]1CCC(CC[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195026438 370097041 /nfs/dbraw/zinc/09/70/41/370097041.db2.gz QXRAEXHYTHRAEP-MRXNPFEDSA-N 2 1 299.422 2.216 20 0 CEADMP CCOc1cccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000194539472 370049006 /nfs/dbraw/zinc/04/90/06/370049006.db2.gz KSIDWIVBDMUPBR-GASCZTMLSA-N 2 1 260.381 2.079 20 0 CEADMP CCOc1cccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000194539472 370049014 /nfs/dbraw/zinc/04/90/14/370049014.db2.gz KSIDWIVBDMUPBR-GASCZTMLSA-N 2 1 260.381 2.079 20 0 CEADMP CCOc1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000194539472 370049028 /nfs/dbraw/zinc/04/90/28/370049028.db2.gz KSIDWIVBDMUPBR-GASCZTMLSA-N 2 1 260.381 2.079 20 0 CEADMP Cc1cccc(NCC[NH2+]Cc2c[nH+]ccc2N(C)C)n1 ZINC000353170990 370052552 /nfs/dbraw/zinc/05/25/52/370052552.db2.gz ASAFHHQAPVPMNV-UHFFFAOYSA-N 2 1 285.395 2.053 20 0 CEADMP CC[C@H](C)[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)OC ZINC000637930253 370178937 /nfs/dbraw/zinc/17/89/37/370178937.db2.gz LPRDQQJHTCYNEE-ZNMIVQPWSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)OC ZINC000637930253 370178940 /nfs/dbraw/zinc/17/89/40/370178940.db2.gz LPRDQQJHTCYNEE-ZNMIVQPWSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000637930253 370178945 /nfs/dbraw/zinc/17/89/45/370178945.db2.gz LPRDQQJHTCYNEE-ZNMIVQPWSA-N 2 1 256.434 2.321 20 0 CEADMP CO[C@@](C)(C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000637930952 370179205 /nfs/dbraw/zinc/17/92/05/370179205.db2.gz WMNJHGSUYDMMAL-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@@](C)(C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000637930952 370179208 /nfs/dbraw/zinc/17/92/08/370179208.db2.gz WMNJHGSUYDMMAL-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C)[NH+]1CCCC1 ZINC000353931805 370143442 /nfs/dbraw/zinc/14/34/42/370143442.db2.gz KKTHFKHFZVPJDE-QKPAOTATSA-N 2 1 296.455 2.428 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000221919823 370247344 /nfs/dbraw/zinc/24/73/44/370247344.db2.gz VIZUXKLWGIZOMR-UHFFFAOYSA-N 2 1 290.455 2.370 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CC=CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354041004 370191694 /nfs/dbraw/zinc/19/16/94/370191694.db2.gz QFQVFYPYQPCXND-SQNIBIBYSA-N 2 1 291.483 2.301 20 0 CEADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(=O)[nH]c2)CC1 ZINC000637956424 370199135 /nfs/dbraw/zinc/19/91/35/370199135.db2.gz UPSMEKRWXMRUJB-UHFFFAOYSA-N 2 1 263.385 2.093 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(=O)[nH]c2)CC1 ZINC000637956424 370199137 /nfs/dbraw/zinc/19/91/37/370199137.db2.gz UPSMEKRWXMRUJB-UHFFFAOYSA-N 2 1 263.385 2.093 20 0 CEADMP C[N@@H+](CCC[C@@H]1CCO1)CC[C@H]1CCCC[NH+]1C ZINC000638118831 370316439 /nfs/dbraw/zinc/31/64/39/370316439.db2.gz YKUMPPUMQKGLGU-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP C[NH+](CCC[C@@H]1CCO1)CC[C@H]1CCCC[N@@H+]1C ZINC000638118831 370316442 /nfs/dbraw/zinc/31/64/42/370316442.db2.gz YKUMPPUMQKGLGU-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP C[NH+](CCC[C@@H]1CCO1)CC[C@H]1CCCC[N@H+]1C ZINC000638118831 370316448 /nfs/dbraw/zinc/31/64/48/370316448.db2.gz YKUMPPUMQKGLGU-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP O=c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c[nH]1 ZINC000638122680 370318937 /nfs/dbraw/zinc/31/89/37/370318937.db2.gz NYZFZZWMCTXBAA-HNNXBMFYSA-N 2 1 275.396 2.095 20 0 CEADMP O=c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c[nH]1 ZINC000638122680 370318941 /nfs/dbraw/zinc/31/89/41/370318941.db2.gz NYZFZZWMCTXBAA-HNNXBMFYSA-N 2 1 275.396 2.095 20 0 CEADMP Cc1cc(C[NH3+])oc1C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000638070546 370279674 /nfs/dbraw/zinc/27/96/74/370279674.db2.gz ZDANIFMGDGCXMM-OLZOCXBDSA-N 2 1 293.411 2.039 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2cccn(C(F)F)c2=O)CC[N@@H+]1C ZINC000638115215 370313846 /nfs/dbraw/zinc/31/38/46/370313846.db2.gz BSVSIQKKIAYPCX-WCQYABFASA-N 2 1 299.365 2.158 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2cccn(C(F)F)c2=O)CC[N@H+]1C ZINC000638115215 370313849 /nfs/dbraw/zinc/31/38/49/370313849.db2.gz BSVSIQKKIAYPCX-WCQYABFASA-N 2 1 299.365 2.158 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccn(C(F)F)c2=O)CC[NH+]1C ZINC000638115215 370313852 /nfs/dbraw/zinc/31/38/52/370313852.db2.gz BSVSIQKKIAYPCX-WCQYABFASA-N 2 1 299.365 2.158 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccn(C(F)F)c2=O)CC[NH+]1C ZINC000638115215 370313855 /nfs/dbraw/zinc/31/38/55/370313855.db2.gz BSVSIQKKIAYPCX-WCQYABFASA-N 2 1 299.365 2.158 20 0 CEADMP CO[C@](C)(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CC1 ZINC000638177444 370359119 /nfs/dbraw/zinc/35/91/19/370359119.db2.gz KWAQLEAKSLVYAP-NUEKZKHPSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@](C)(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000638177444 370359120 /nfs/dbraw/zinc/35/91/20/370359120.db2.gz KWAQLEAKSLVYAP-NUEKZKHPSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@](C)(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1CC1 ZINC000638177444 370359121 /nfs/dbraw/zinc/35/91/21/370359121.db2.gz KWAQLEAKSLVYAP-NUEKZKHPSA-N 2 1 266.429 2.218 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)[C@H]1C ZINC000354350264 370327718 /nfs/dbraw/zinc/32/77/18/370327718.db2.gz ZUNUBRWHHKSAQK-OFQRWUPVSA-N 2 1 296.455 2.428 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)[C@H]1C ZINC000354350264 370327723 /nfs/dbraw/zinc/32/77/23/370327723.db2.gz ZUNUBRWHHKSAQK-OFQRWUPVSA-N 2 1 296.455 2.428 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000226338413 370337335 /nfs/dbraw/zinc/33/73/35/370337335.db2.gz RALNYRYAAYZPAG-UHFFFAOYSA-N 3 1 290.455 2.370 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000354517778 370396227 /nfs/dbraw/zinc/39/62/27/370396227.db2.gz XIUUOWJMJROFJB-ZDUSSCGKSA-N 2 1 278.400 2.253 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC000228496931 370404663 /nfs/dbraw/zinc/40/46/63/370404663.db2.gz XAERSCZEDHZVJO-WDEREUQCSA-N 2 1 280.799 2.444 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC000228496931 370404669 /nfs/dbraw/zinc/40/46/69/370404669.db2.gz XAERSCZEDHZVJO-WDEREUQCSA-N 2 1 280.799 2.444 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000228497020 370404941 /nfs/dbraw/zinc/40/49/41/370404941.db2.gz POPAQAQHWHYJJI-PWSUYJOCSA-N 2 1 280.799 2.444 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000228497020 370404945 /nfs/dbraw/zinc/40/49/45/370404945.db2.gz POPAQAQHWHYJJI-PWSUYJOCSA-N 2 1 280.799 2.444 20 0 CEADMP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000354562305 370412237 /nfs/dbraw/zinc/41/22/37/370412237.db2.gz CLCPQLSPZYDFMH-CABCVRRESA-N 2 1 252.402 2.043 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCC1CCOCC1 ZINC000638336119 370453261 /nfs/dbraw/zinc/45/32/61/370453261.db2.gz YTHAEHTXOISROT-CYBMUJFWSA-N 2 1 265.401 2.234 20 0 CEADMP CO[C@H](C[NH2+]CCCn1cc[nH+]c1C)CC(C)C ZINC000638386091 370490606 /nfs/dbraw/zinc/49/06/06/370490606.db2.gz KTHXYCWWYCLBTE-AWEZNQCLSA-N 2 1 253.390 2.232 20 0 CEADMP CC[C@@H](C)[C@H](C[NH2+]CCCn1cc[nH+]c1C)OC ZINC000638386494 370491178 /nfs/dbraw/zinc/49/11/78/370491178.db2.gz NLPAQXUUTBSVPG-OCCSQVGLSA-N 2 1 253.390 2.232 20 0 CEADMP C[NH+](C)CCCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000355471135 370563654 /nfs/dbraw/zinc/56/36/54/370563654.db2.gz IPOWROXJVKWZQO-AWEZNQCLSA-N 2 1 297.830 2.011 20 0 CEADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)sn1 ZINC000638566296 370608043 /nfs/dbraw/zinc/60/80/43/370608043.db2.gz GVYLSRYGVXVCKQ-GFCCVEGCSA-N 2 1 283.441 2.362 20 0 CEADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)sn1 ZINC000638566296 370608045 /nfs/dbraw/zinc/60/80/45/370608045.db2.gz GVYLSRYGVXVCKQ-GFCCVEGCSA-N 2 1 283.441 2.362 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000638565674 370608077 /nfs/dbraw/zinc/60/80/77/370608077.db2.gz VZYGNXYFFLIWGS-FGTMMUONSA-N 2 1 293.499 2.286 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC[C@@H]1CCO1 ZINC000639175328 371048814 /nfs/dbraw/zinc/04/88/14/371048814.db2.gz MYVGAOZFDPYKGI-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC[C@@H]1CCO1 ZINC000639175328 371048818 /nfs/dbraw/zinc/04/88/18/371048818.db2.gz MYVGAOZFDPYKGI-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccns3)C2)CC1 ZINC000639176833 371052851 /nfs/dbraw/zinc/05/28/51/371052851.db2.gz LNRSYLUNUKSYFP-CYBMUJFWSA-N 2 1 265.426 2.307 20 0 CEADMP CC1CCC(NC(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246796204 371011888 /nfs/dbraw/zinc/01/18/88/371011888.db2.gz PGSPSMDPXOCEAK-BHDPWAOGSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[NH+]2CCC2)CC1 ZINC000358340964 371022188 /nfs/dbraw/zinc/02/21/88/371022188.db2.gz NEDYRGJMHQOJHH-NVXWUHKLSA-N 2 1 279.472 2.325 20 0 CEADMP C(C[NH+]1CCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000358348944 371028668 /nfs/dbraw/zinc/02/86/68/371028668.db2.gz HONJGIWNMMGTRQ-UHFFFAOYSA-N 2 1 265.445 2.079 20 0 CEADMP Cc1ccsc1[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358405635 371052342 /nfs/dbraw/zinc/05/23/42/371052342.db2.gz RFYQAMXOZAASNB-IHRRRGAJSA-N 2 1 280.437 2.306 20 0 CEADMP Cc1ccsc1[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358405635 371052347 /nfs/dbraw/zinc/05/23/47/371052347.db2.gz RFYQAMXOZAASNB-IHRRRGAJSA-N 2 1 280.437 2.306 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC1CC(OCC)C1 ZINC000639165690 371039881 /nfs/dbraw/zinc/03/98/81/371039881.db2.gz QCVDZVNOHLWMTK-SLTAFYQDSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC1CC(OCC)C1 ZINC000639165690 371039882 /nfs/dbraw/zinc/03/98/82/371039882.db2.gz QCVDZVNOHLWMTK-SLTAFYQDSA-N 2 1 254.418 2.266 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccn2C)[C@@H](C)C1 ZINC000247064497 371057859 /nfs/dbraw/zinc/05/78/59/371057859.db2.gz MGMQDUAKLDBMIO-RDJZCZTQSA-N 2 1 293.455 2.252 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)OC ZINC000639178804 371057896 /nfs/dbraw/zinc/05/78/96/371057896.db2.gz OZFOMGULACINDW-YJNKXOJESA-N 2 1 256.434 2.320 20 0 CEADMP CC[C@H](C)[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)OC ZINC000639178804 371057899 /nfs/dbraw/zinc/05/78/99/371057899.db2.gz OZFOMGULACINDW-YJNKXOJESA-N 2 1 256.434 2.320 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C)OC ZINC000639178804 371057904 /nfs/dbraw/zinc/05/79/04/371057904.db2.gz OZFOMGULACINDW-YJNKXOJESA-N 2 1 256.434 2.320 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C)OC ZINC000639178804 371057909 /nfs/dbraw/zinc/05/79/09/371057909.db2.gz OZFOMGULACINDW-YJNKXOJESA-N 2 1 256.434 2.320 20 0 CEADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)sn1 ZINC000639178159 371058042 /nfs/dbraw/zinc/05/80/42/371058042.db2.gz IXAXJRDXVHHMPN-GXTWGEPZSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)sn1 ZINC000639178159 371058045 /nfs/dbraw/zinc/05/80/45/371058045.db2.gz IXAXJRDXVHHMPN-GXTWGEPZSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)sn1 ZINC000639178159 371058048 /nfs/dbraw/zinc/05/80/48/371058048.db2.gz IXAXJRDXVHHMPN-GXTWGEPZSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)sn1 ZINC000639178159 371058052 /nfs/dbraw/zinc/05/80/52/371058052.db2.gz IXAXJRDXVHHMPN-GXTWGEPZSA-N 2 1 265.426 2.368 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)ccn1 ZINC000639190064 371070451 /nfs/dbraw/zinc/07/04/51/371070451.db2.gz TZGFOIJNSDCPQI-KGLIPLIRSA-N 2 1 279.428 2.340 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)ccn1 ZINC000639190064 371070455 /nfs/dbraw/zinc/07/04/55/371070455.db2.gz TZGFOIJNSDCPQI-KGLIPLIRSA-N 2 1 279.428 2.340 20 0 CEADMP COC[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000247251709 371084112 /nfs/dbraw/zinc/08/41/12/371084112.db2.gz DXABLXKDXJEUMH-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)c1noc([C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000358502043 371094574 /nfs/dbraw/zinc/09/45/74/371094574.db2.gz UUMJINGROXEUNV-GFCCVEGCSA-N 2 1 278.400 2.330 20 0 CEADMP COc1cc(C[C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)ccn1 ZINC000639246315 371142555 /nfs/dbraw/zinc/14/25/55/371142555.db2.gz DAKSKCPGXCIZCZ-AWEZNQCLSA-N 2 1 291.439 2.485 20 0 CEADMP CC[C@](C)(C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC)OC ZINC000639212176 371104155 /nfs/dbraw/zinc/10/41/55/371104155.db2.gz VSESGKUWCHXIDN-FCLJQHQZSA-N 2 1 298.471 2.375 20 0 CEADMP CC[C@](C)(C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)OC ZINC000639212176 371104160 /nfs/dbraw/zinc/10/41/60/371104160.db2.gz VSESGKUWCHXIDN-FCLJQHQZSA-N 2 1 298.471 2.375 20 0 CEADMP CC[C@](C)(C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)OC ZINC000639212176 371104167 /nfs/dbraw/zinc/10/41/67/371104167.db2.gz VSESGKUWCHXIDN-FCLJQHQZSA-N 2 1 298.471 2.375 20 0 CEADMP CO[C@@](C)(C[NH2+]CCCC[N@@H+](C)C1CC1)C1CC1 ZINC000639246722 371144201 /nfs/dbraw/zinc/14/42/01/371144201.db2.gz JVGLGJOJAWYJOZ-HNNXBMFYSA-N 2 1 254.418 2.266 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccn1 ZINC000639233918 371127457 /nfs/dbraw/zinc/12/74/57/371127457.db2.gz YOCAFHFMPCQXEG-OHRKKDJYSA-N 2 1 289.423 2.236 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248202194 371170164 /nfs/dbraw/zinc/17/01/64/371170164.db2.gz ZBIBJRBZRSKJHE-UONOGXRCSA-N 2 1 256.434 2.390 20 0 CEADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H](C)[N@H+]1C ZINC000358740379 371199779 /nfs/dbraw/zinc/19/97/79/371199779.db2.gz QVOUNUFEFKEECD-GASCZTMLSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H](C)[N@@H+]1C ZINC000358740379 371199783 /nfs/dbraw/zinc/19/97/83/371199783.db2.gz QVOUNUFEFKEECD-GASCZTMLSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)(C)[N@@H+]1CC[C@H]1CNCc1cccn(C(F)F)c1=O ZINC000639302153 371206338 /nfs/dbraw/zinc/20/63/38/371206338.db2.gz CWWIJDUTJWMHJS-LBPRGKRZSA-N 2 1 299.365 2.206 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1CNCc1cccn(C(F)F)c1=O ZINC000639302153 371206343 /nfs/dbraw/zinc/20/63/43/371206343.db2.gz CWWIJDUTJWMHJS-LBPRGKRZSA-N 2 1 299.365 2.206 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC(C)(C)O3)CC[C@@H]21 ZINC000248588189 371217302 /nfs/dbraw/zinc/21/73/02/371217302.db2.gz WZKDCUCGKRLUED-ILXRZTDVSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCC(C)(C)O3)CC[C@@H]21 ZINC000248588189 371217305 /nfs/dbraw/zinc/21/73/05/371217305.db2.gz WZKDCUCGKRLUED-ILXRZTDVSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC(C)(C)O3)CC[C@@H]21 ZINC000248588189 371217309 /nfs/dbraw/zinc/21/73/09/371217309.db2.gz WZKDCUCGKRLUED-ILXRZTDVSA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249104773 371294971 /nfs/dbraw/zinc/29/49/71/371294971.db2.gz PATLWRJZMUFQPX-UAGQMJEPSA-N 2 1 274.408 2.276 20 0 CEADMP O[C@@H](CC1CCCC1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248958833 371275192 /nfs/dbraw/zinc/27/51/92/371275192.db2.gz AUWREVJNCFMMON-IRXDYDNUSA-N 2 1 280.456 2.345 20 0 CEADMP CC(C)[NH+](CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000250529576 371386717 /nfs/dbraw/zinc/38/67/17/371386717.db2.gz WLYVDTKVYZIZHR-CVEARBPZSA-N 2 1 267.461 2.322 20 0 CEADMP C[N@@H+](CCCn1ccnc1)C[C@H]1CC(C)(C)CO1 ZINC000639551367 371401027 /nfs/dbraw/zinc/40/10/27/371401027.db2.gz JYXFSGLEOOUQQB-CYBMUJFWSA-N 2 1 251.374 2.020 20 0 CEADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1c(C)noc1C ZINC000639578549 371418110 /nfs/dbraw/zinc/41/81/10/371418110.db2.gz BBWFRLCGVBFGLY-ZDUSSCGKSA-N 2 1 262.357 2.308 20 0 CEADMP CCN1CCC([N@@H+](C)C[C@@H]2CC(C)(C)CO2)CC1 ZINC000639510254 371372610 /nfs/dbraw/zinc/37/26/10/371372610.db2.gz ZNGVHJGPCDKGEV-AWEZNQCLSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CC(C)(C)CO2)CC1 ZINC000639510254 371372623 /nfs/dbraw/zinc/37/26/23/371372623.db2.gz ZNGVHJGPCDKGEV-AWEZNQCLSA-N 2 1 254.418 2.218 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359224921 371384016 /nfs/dbraw/zinc/38/40/16/371384016.db2.gz UCROJMPZOSSZPC-MRXNPFEDSA-N 2 1 295.471 2.004 20 0 CEADMP Cc1ncsc1CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252856352 371484155 /nfs/dbraw/zinc/48/41/55/371484155.db2.gz KSZPWAGZOHLCIX-AVGNSLFASA-N 2 1 265.426 2.053 20 0 CEADMP Fc1cc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1Cl ZINC000252667491 371464960 /nfs/dbraw/zinc/46/49/60/371464960.db2.gz KNXCTNGDKFYDQV-QWHCGFSZSA-N 2 1 298.789 2.432 20 0 CEADMP Fc1cc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)ccc1Cl ZINC000252667491 371464966 /nfs/dbraw/zinc/46/49/66/371464966.db2.gz KNXCTNGDKFYDQV-QWHCGFSZSA-N 2 1 298.789 2.432 20 0 CEADMP CCOc1ccc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252668321 371465352 /nfs/dbraw/zinc/46/53/52/371465352.db2.gz UKQHVVFNBMFLHA-DOTOQJQBSA-N 2 1 290.407 2.038 20 0 CEADMP CCOc1ccc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000252668321 371465353 /nfs/dbraw/zinc/46/53/53/371465353.db2.gz UKQHVVFNBMFLHA-DOTOQJQBSA-N 2 1 290.407 2.038 20 0 CEADMP CCOc1ccc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252668322 371465437 /nfs/dbraw/zinc/46/54/37/371465437.db2.gz UKQHVVFNBMFLHA-RDJZCZTQSA-N 2 1 290.407 2.038 20 0 CEADMP CCOc1ccc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000252668322 371465438 /nfs/dbraw/zinc/46/54/38/371465438.db2.gz UKQHVVFNBMFLHA-RDJZCZTQSA-N 2 1 290.407 2.038 20 0 CEADMP c1cc(CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000639681708 371491732 /nfs/dbraw/zinc/49/17/32/371491732.db2.gz CBJHULXSDZLVKG-UHFFFAOYSA-N 2 1 282.391 2.231 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252783495 371478513 /nfs/dbraw/zinc/47/85/13/371478513.db2.gz SRMZUNCMJJHXPS-LSDHHAIUSA-N 2 1 283.460 2.084 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252783495 371478515 /nfs/dbraw/zinc/47/85/15/371478515.db2.gz SRMZUNCMJJHXPS-LSDHHAIUSA-N 2 1 283.460 2.084 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)CCC(C)C)CC1 ZINC000360708305 371529999 /nfs/dbraw/zinc/52/99/99/371529999.db2.gz SAZJUFYFDWVEEM-HNNXBMFYSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)CCC(C)C)CC1 ZINC000360708305 371530010 /nfs/dbraw/zinc/53/00/10/371530010.db2.gz SAZJUFYFDWVEEM-HNNXBMFYSA-N 2 1 256.434 2.200 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000344030878 217017547 /nfs/dbraw/zinc/01/75/47/217017547.db2.gz GCVAWPGUQYJIPT-NIFZNCRKSA-N 2 1 266.429 2.262 20 0 CEADMP COC(C)(C)CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756447 371547261 /nfs/dbraw/zinc/54/72/61/371547261.db2.gz VEXMUNRMEANSJO-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CCCCOCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758915 371547664 /nfs/dbraw/zinc/54/76/64/371547664.db2.gz XVJIVLODPULPGZ-UHFFFAOYSA-N 2 1 254.418 2.221 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000639764051 371551123 /nfs/dbraw/zinc/55/11/23/371551123.db2.gz SNBREPDEXYUSAA-INIZCTEOSA-N 2 1 268.445 2.201 20 0 CEADMP c1cc(N2CCC[N@H+](CCC[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000639683929 371494177 /nfs/dbraw/zinc/49/41/77/371494177.db2.gz OKVXUBWSPLSMBX-MRXNPFEDSA-N 2 1 289.423 2.410 20 0 CEADMP Cn1cc(C2=CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC000639794301 371575148 /nfs/dbraw/zinc/57/51/48/371575148.db2.gz PILNWEAXOYAFTL-KRWDZBQOSA-N 2 1 288.439 2.384 20 0 CEADMP Cn1cc(C2=CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC000639794301 371575150 /nfs/dbraw/zinc/57/51/50/371575150.db2.gz PILNWEAXOYAFTL-KRWDZBQOSA-N 2 1 288.439 2.384 20 0 CEADMP Cn1cc(C2=CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000639794301 371575153 /nfs/dbraw/zinc/57/51/53/371575153.db2.gz PILNWEAXOYAFTL-KRWDZBQOSA-N 2 1 288.439 2.384 20 0 CEADMP Cn1cc(C2=CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC000639794301 371575159 /nfs/dbraw/zinc/57/51/59/371575159.db2.gz PILNWEAXOYAFTL-KRWDZBQOSA-N 2 1 288.439 2.384 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000361005771 371594549 /nfs/dbraw/zinc/59/45/49/371594549.db2.gz XHYDZOHNLHRWRP-WWGRRREGSA-N 2 1 290.455 2.117 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000361005771 371594555 /nfs/dbraw/zinc/59/45/55/371594555.db2.gz XHYDZOHNLHRWRP-WWGRRREGSA-N 2 1 290.455 2.117 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cnn(C)c1 ZINC000261588171 371664158 /nfs/dbraw/zinc/66/41/58/371664158.db2.gz KATUGXZPJCAENI-UMVBOHGHSA-N 2 1 264.417 2.382 20 0 CEADMP c1cc(C2CC2)ccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261596982 371670168 /nfs/dbraw/zinc/67/01/68/371670168.db2.gz AKQXYNNASOVHKP-SFHVURJKSA-N 2 1 285.435 2.044 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000261608330 371675819 /nfs/dbraw/zinc/67/58/19/371675819.db2.gz DJLIOBPXPIZABE-UKRRQHHQSA-N 2 1 290.407 2.054 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000261608330 371675824 /nfs/dbraw/zinc/67/58/24/371675824.db2.gz DJLIOBPXPIZABE-UKRRQHHQSA-N 2 1 290.407 2.054 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532500 371640151 /nfs/dbraw/zinc/64/01/51/371640151.db2.gz AKFJMZZUUUMALO-SQNIBIBYSA-N 2 1 287.451 2.226 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261532500 371640158 /nfs/dbraw/zinc/64/01/58/371640158.db2.gz AKFJMZZUUUMALO-SQNIBIBYSA-N 3 1 287.451 2.226 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532500 371640168 /nfs/dbraw/zinc/64/01/68/371640168.db2.gz AKFJMZZUUUMALO-SQNIBIBYSA-N 3 1 287.451 2.226 20 0 CEADMP Clc1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261577551 371658962 /nfs/dbraw/zinc/65/89/62/371658962.db2.gz CVNIVWOCOJDEAP-IUODEOHRSA-N 2 1 280.799 2.403 20 0 CEADMP Clc1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261577551 371658969 /nfs/dbraw/zinc/65/89/69/371658969.db2.gz CVNIVWOCOJDEAP-IUODEOHRSA-N 2 1 280.799 2.403 20 0 CEADMP O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261747463 371718523 /nfs/dbraw/zinc/71/85/23/371718523.db2.gz BXEOYATUJUTVIK-ARFHVFGLSA-N 2 1 266.429 2.002 20 0 CEADMP C[C@@H]1C[C@H](NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC[N@H+]1C ZINC000361215769 371719735 /nfs/dbraw/zinc/71/97/35/371719735.db2.gz KKRNWZWYGAVVRM-CAOSSQGBSA-N 2 1 267.461 2.322 20 0 CEADMP Nc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000261887086 371762607 /nfs/dbraw/zinc/76/26/07/371762607.db2.gz SCKLHHHELULJEF-SMDDNHRTSA-N 2 1 292.452 2.174 20 0 CEADMP Nc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000261887086 371762609 /nfs/dbraw/zinc/76/26/09/371762609.db2.gz SCKLHHHELULJEF-SMDDNHRTSA-N 2 1 292.452 2.174 20 0 CEADMP Nc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000261887086 371762613 /nfs/dbraw/zinc/76/26/13/371762613.db2.gz SCKLHHHELULJEF-SMDDNHRTSA-N 2 1 292.452 2.174 20 0 CEADMP Nc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000261887086 371762615 /nfs/dbraw/zinc/76/26/15/371762615.db2.gz SCKLHHHELULJEF-SMDDNHRTSA-N 2 1 292.452 2.174 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000261890752 371762679 /nfs/dbraw/zinc/76/26/79/371762679.db2.gz WKTVDFHVFQBGMM-HZPDHXFCSA-N 2 1 295.471 2.004 20 0 CEADMP CC(C)c1ncc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)s1 ZINC000261890112 371763280 /nfs/dbraw/zinc/76/32/80/371763280.db2.gz VKVJNHLPDOSDOL-CYBMUJFWSA-N 2 1 253.415 2.437 20 0 CEADMP CC(C)c1ncc(C[N@H+]2CC[C@](C)(C[NH3+])C2)s1 ZINC000261890112 371763285 /nfs/dbraw/zinc/76/32/85/371763285.db2.gz VKVJNHLPDOSDOL-CYBMUJFWSA-N 2 1 253.415 2.437 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000261973732 371788471 /nfs/dbraw/zinc/78/84/71/371788471.db2.gz QPZHCICMIRJFLT-INIZCTEOSA-N 2 1 270.380 2.043 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000261973732 371788474 /nfs/dbraw/zinc/78/84/74/371788474.db2.gz QPZHCICMIRJFLT-INIZCTEOSA-N 2 1 270.380 2.043 20 0 CEADMP CCc1noc([C@@H](C)[NH+]2CCC(CC[NH2+]C)CC2)n1 ZINC000261978359 371788626 /nfs/dbraw/zinc/78/86/26/371788626.db2.gz GXPSVKRHKNVTKM-LLVKDONJSA-N 2 1 266.389 2.015 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000261997014 371794138 /nfs/dbraw/zinc/79/41/38/371794138.db2.gz SYAZDZWUKORANZ-GXSJLCMTSA-N 2 1 251.399 2.190 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000261998154 371794310 /nfs/dbraw/zinc/79/43/10/371794310.db2.gz TVWMPSZPZFAHBD-CYBMUJFWSA-N 2 1 262.397 2.299 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000640099663 371812556 /nfs/dbraw/zinc/81/25/56/371812556.db2.gz IJCPKULRWKZETN-JYJNAYRXSA-N 2 1 277.412 2.207 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000640099663 371812565 /nfs/dbraw/zinc/81/25/65/371812565.db2.gz IJCPKULRWKZETN-JYJNAYRXSA-N 2 1 277.412 2.207 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1F ZINC000262054175 371812963 /nfs/dbraw/zinc/81/29/63/371812963.db2.gz ZZKKQNPORXDMIX-YPMHNXCESA-N 2 1 266.360 2.394 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1F ZINC000262054175 371812975 /nfs/dbraw/zinc/81/29/75/371812975.db2.gz ZZKKQNPORXDMIX-YPMHNXCESA-N 2 1 266.360 2.394 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000262050313 371813844 /nfs/dbraw/zinc/81/38/44/371813844.db2.gz ZOLDLJSTBYZNFJ-MNOVXSKESA-N 2 1 276.409 2.307 20 0 CEADMP FC(F)Oc1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000262112412 371825408 /nfs/dbraw/zinc/82/54/08/371825408.db2.gz WOHNCQCKBARSPH-OAHLLOKOSA-N 2 1 282.334 2.473 20 0 CEADMP FC(F)Oc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000262112412 371825413 /nfs/dbraw/zinc/82/54/13/371825413.db2.gz WOHNCQCKBARSPH-OAHLLOKOSA-N 2 1 282.334 2.473 20 0 CEADMP CC(C)[C@H]1CN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[N@H+]1C ZINC000640141095 371839820 /nfs/dbraw/zinc/83/98/20/371839820.db2.gz WVJCDRAFZSUVQJ-BRWVUGGUSA-N 2 1 281.488 2.236 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CSC)[C@@H](C)C1 ZINC000361523885 371896889 /nfs/dbraw/zinc/89/68/89/371896889.db2.gz HDBLLASMYHWPJH-ZNMIVQPWSA-N 2 1 288.501 2.465 20 0 CEADMP CO[C@H](C[N@@H+](C)CCCC[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000640534281 372024517 /nfs/dbraw/zinc/02/45/17/372024517.db2.gz PDACDAXAYMNNFA-DLBZAZTESA-N 2 1 298.471 2.236 20 0 CEADMP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000361729886 372042743 /nfs/dbraw/zinc/04/27/43/372042743.db2.gz VKMOVGFUHBFRPD-CKEIUWERSA-N 2 1 292.423 2.392 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(C)c1 ZINC000268804335 372229811 /nfs/dbraw/zinc/22/98/11/372229811.db2.gz CBCXRSDUWFISGY-JKSUJKDBSA-N 2 1 276.424 2.411 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCn2cnc3ccccc32)[C@H](C)C1 ZINC000268811867 372236128 /nfs/dbraw/zinc/23/61/28/372236128.db2.gz JBENJJNDCNXJIA-CABCVRRESA-N 2 1 286.423 2.356 20 0 CEADMP COc1cccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000268923249 372289544 /nfs/dbraw/zinc/28/95/44/372289544.db2.gz PHQYSYQERVGPAJ-WRFANHODSA-N 2 1 292.423 2.047 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)CO)cc1 ZINC000268836378 372248557 /nfs/dbraw/zinc/24/85/57/372248557.db2.gz LWZGVHRKEATFMZ-STQMWFEESA-N 2 1 273.380 2.460 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCOC1 ZINC000268889911 372275040 /nfs/dbraw/zinc/27/50/40/372275040.db2.gz ABEFMKGWYKJISY-DJIMGWMZSA-N 2 1 274.408 2.276 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCOC1 ZINC000268889911 372275050 /nfs/dbraw/zinc/27/50/50/372275050.db2.gz ABEFMKGWYKJISY-DJIMGWMZSA-N 2 1 274.408 2.276 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)OC ZINC000362975967 372600499 /nfs/dbraw/zinc/60/04/99/372600499.db2.gz IDPWXXVSCOJKEO-AHDPXTMNSA-N 2 1 256.434 2.366 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641714079 372649826 /nfs/dbraw/zinc/64/98/26/372649826.db2.gz XGTDFXWUKHRUCK-CYBMUJFWSA-N 2 1 288.395 2.090 20 0 CEADMP C[NH+](C)[C@H]1C[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1(C)C ZINC000641648537 372605432 /nfs/dbraw/zinc/60/54/32/372605432.db2.gz LPWSHWQNZYWIGF-MNOVXSKESA-N 2 1 259.357 2.099 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2scnc2C)[C@@H](C)C1 ZINC000344516988 217217822 /nfs/dbraw/zinc/21/78/22/217217822.db2.gz PXXXJTQUHGHYHE-JQWIXIFHSA-N 2 1 253.415 2.271 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2scnc2C)[C@@H](C)C1 ZINC000344516988 217217824 /nfs/dbraw/zinc/21/78/24/217217824.db2.gz PXXXJTQUHGHYHE-JQWIXIFHSA-N 2 1 253.415 2.271 20 0 CEADMP c1cn(CCC[N@H+]2CCOCC3(CCCC3)C2)cn1 ZINC000364344427 372732371 /nfs/dbraw/zinc/73/23/71/372732371.db2.gz RBXLSDQOGDTPBM-UHFFFAOYSA-N 2 1 263.385 2.166 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)CC1 ZINC000641765387 372703674 /nfs/dbraw/zinc/70/36/74/372703674.db2.gz ZWUFNHXSYMHOIB-HUUCEWRRSA-N 2 1 268.445 2.392 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(C)cc1 ZINC000641771628 372713290 /nfs/dbraw/zinc/71/32/90/372713290.db2.gz KKNOQTFBMFWDOR-INIZCTEOSA-N 2 1 264.413 2.177 20 0 CEADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803051 372748338 /nfs/dbraw/zinc/74/83/38/372748338.db2.gz CODLJIPLAWIUAD-ZLKJLUDKSA-N 2 1 293.386 2.177 20 0 CEADMP Cc1ccc(NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c(Cl)c1 ZINC000641808690 372756265 /nfs/dbraw/zinc/75/62/65/372756265.db2.gz ZSGNCLHYGLJOLO-OLZOCXBDSA-N 2 1 295.814 2.302 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1cc(F)ccc1F ZINC000641808247 372757053 /nfs/dbraw/zinc/75/70/53/372757053.db2.gz UBZROIQQFAQSKM-ZEGGKSINSA-N 2 1 297.349 2.007 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1c(F)cccc1F ZINC000641808949 372757095 /nfs/dbraw/zinc/75/70/95/372757095.db2.gz VCWGSSPUTNQWAL-AXTRIDKLSA-N 2 1 297.349 2.007 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C(C)(C)n1cncn1 ZINC000353414097 220069190 /nfs/dbraw/zinc/06/91/90/220069190.db2.gz RNSASEKQXQGQKW-CABCVRRESA-N 2 1 293.459 2.256 20 0 CEADMP CCc1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000641797252 372736716 /nfs/dbraw/zinc/73/67/16/372736716.db2.gz ZFFXSKXTOBWANE-PWSUYJOCSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000641797252 372736717 /nfs/dbraw/zinc/73/67/17/372736717.db2.gz ZFFXSKXTOBWANE-PWSUYJOCSA-N 2 1 251.374 2.105 20 0 CEADMP [NH3+]C1CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000333158057 205080412 /nfs/dbraw/zinc/08/04/12/205080412.db2.gz NHZNSZNWNVKDJT-BHUNQDJPSA-N 3 1 273.424 2.339 20 0 CEADMP CC[NH+](CC)CCCN1CCC2(CCC[N@H+]2C)CC1 ZINC000365192074 372804760 /nfs/dbraw/zinc/80/47/60/372804760.db2.gz OXVRGJSSJDAPFE-UHFFFAOYSA-N 2 1 267.461 2.279 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C[NH+]1CCCC1 ZINC000353439745 220082972 /nfs/dbraw/zinc/08/29/72/220082972.db2.gz INSYRPRVYDOBRO-VQHPVUNQSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C[NH+]1CCCC1 ZINC000353439745 220082975 /nfs/dbraw/zinc/08/29/75/220082975.db2.gz INSYRPRVYDOBRO-VQHPVUNQSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C[NH+]1CCCC1 ZINC000353439745 220082977 /nfs/dbraw/zinc/08/29/77/220082977.db2.gz INSYRPRVYDOBRO-VQHPVUNQSA-N 3 1 279.472 2.181 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000353473143 220101869 /nfs/dbraw/zinc/10/18/69/220101869.db2.gz UMCPSEPRSXVVQZ-OAGGEKHMSA-N 2 1 295.471 2.003 20 0 CEADMP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)ccc1O ZINC000270636694 372876681 /nfs/dbraw/zinc/87/66/81/372876681.db2.gz MINSYYLJTGHDMZ-UHFFFAOYSA-N 2 1 289.379 2.428 20 0 CEADMP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)ccc1O ZINC000270636694 372876690 /nfs/dbraw/zinc/87/66/90/372876690.db2.gz MINSYYLJTGHDMZ-UHFFFAOYSA-N 2 1 289.379 2.428 20 0 CEADMP CCC1(C)CN(C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000642924429 372889338 /nfs/dbraw/zinc/88/93/38/372889338.db2.gz PEYJBKBGGUGYEV-MRXNPFEDSA-N 2 1 276.424 2.211 20 0 CEADMP CCC1(C)C[NH+](C[C@H](O)CN(C)Cc2ccccc2)C1 ZINC000642924429 372889344 /nfs/dbraw/zinc/88/93/44/372889344.db2.gz PEYJBKBGGUGYEV-MRXNPFEDSA-N 2 1 276.424 2.211 20 0 CEADMP CCc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)nc(C)[nH+]1 ZINC000277938933 541884092 /nfs/dbraw/zinc/88/40/92/541884092.db2.gz HWDJTFBQABMDTK-CYBMUJFWSA-N 2 1 292.427 2.260 20 0 CEADMP CCc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)nc(C)[nH+]1 ZINC000277938933 541884096 /nfs/dbraw/zinc/88/40/96/541884096.db2.gz HWDJTFBQABMDTK-CYBMUJFWSA-N 2 1 292.427 2.260 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000270666188 372891216 /nfs/dbraw/zinc/89/12/16/372891216.db2.gz QALFIGPHQRROFR-GFCCVEGCSA-N 2 1 296.415 2.037 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000270666188 372891225 /nfs/dbraw/zinc/89/12/25/372891225.db2.gz QALFIGPHQRROFR-GFCCVEGCSA-N 2 1 296.415 2.037 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000366160687 372994678 /nfs/dbraw/zinc/99/46/78/372994678.db2.gz AGQKDTNJLCTOOQ-TVFCKZIOSA-N 2 1 291.483 2.277 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000366160687 372994687 /nfs/dbraw/zinc/99/46/87/372994687.db2.gz AGQKDTNJLCTOOQ-TVFCKZIOSA-N 2 1 291.483 2.277 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000366160687 372994694 /nfs/dbraw/zinc/99/46/94/372994694.db2.gz AGQKDTNJLCTOOQ-TVFCKZIOSA-N 2 1 291.483 2.277 20 0 CEADMP Cc1nccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)n1 ZINC000366453998 373054421 /nfs/dbraw/zinc/05/44/21/373054421.db2.gz IZYPAJKBOKWECX-SWLSCSKDSA-N 2 1 271.368 2.065 20 0 CEADMP CSCC[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000366631699 373095566 /nfs/dbraw/zinc/09/55/66/373095566.db2.gz ZGUZRGUBRYDGJK-UHFFFAOYSA-N 2 1 294.468 2.357 20 0 CEADMP CSCC[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000366631699 373095569 /nfs/dbraw/zinc/09/55/69/373095569.db2.gz ZGUZRGUBRYDGJK-UHFFFAOYSA-N 2 1 294.468 2.357 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnc3ccccn23)C[C@H]1C[NH3+] ZINC000643427597 373114827 /nfs/dbraw/zinc/11/48/27/373114827.db2.gz KLQBRKIYSUVSCU-MGPQQGTHSA-N 2 1 272.396 2.140 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccnn1C ZINC000643484234 373150626 /nfs/dbraw/zinc/15/06/26/373150626.db2.gz JXFBIRNJTWEVOB-RRFJBIMHSA-N 2 1 278.444 2.280 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000643498625 373156872 /nfs/dbraw/zinc/15/68/72/373156872.db2.gz NBDHLAYXKSGMRD-LLVKDONJSA-N 2 1 250.390 2.420 20 0 CEADMP C[C@H]([NH2+][C@H]1CCCc2cccnc21)[C@@H]1CCC[NH2+]C1 ZINC000643503457 373162742 /nfs/dbraw/zinc/16/27/42/373162742.db2.gz BFRDNBGWAQNKMK-CFVMTHIKSA-N 2 1 259.397 2.437 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000353560765 220158128 /nfs/dbraw/zinc/15/81/28/220158128.db2.gz IKZNMYIQGFGBIP-HNNXBMFYSA-N 2 1 283.460 2.227 20 0 CEADMP c1cncc([C@H]2CCC[C@H]([NH2+]CC[NH2+]C3CC3)C2)c1 ZINC000643507574 373169887 /nfs/dbraw/zinc/16/98/87/373169887.db2.gz JAEZBCMFWXADPC-BBRMVZONSA-N 2 1 259.397 2.449 20 0 CEADMP COc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])ccc1OC(F)F ZINC000643457109 373128435 /nfs/dbraw/zinc/12/84/35/373128435.db2.gz VTRHFEZUKWTCQR-QWRGUYRKSA-N 2 1 286.322 2.266 20 0 CEADMP Cc1csc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)n1 ZINC000643460677 373129251 /nfs/dbraw/zinc/12/92/51/373129251.db2.gz CSJZVOOXNCCDDQ-JTQLQIEISA-N 2 1 262.382 2.152 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462744 373130410 /nfs/dbraw/zinc/13/04/10/373130410.db2.gz JJZKSJQCHGHUJK-WBAXXEDZSA-N 2 1 287.451 2.019 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1Br ZINC000643529183 373187966 /nfs/dbraw/zinc/18/79/66/373187966.db2.gz WNVQSBQMEKTQFE-IUCAKERBSA-N 2 1 287.201 2.456 20 0 CEADMP CC(C)[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000643529334 373188057 /nfs/dbraw/zinc/18/80/57/373188057.db2.gz YTEYEGFRKXUJGJ-ZANVPECISA-N 2 1 263.341 2.167 20 0 CEADMP Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000643532399 373190301 /nfs/dbraw/zinc/19/03/01/373190301.db2.gz QXFOAHTUXQWTQE-RAIGVLPGSA-N 2 1 250.390 2.134 20 0 CEADMP c1cn(CCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cn1 ZINC000271902486 373205834 /nfs/dbraw/zinc/20/58/34/373205834.db2.gz HDDZHWQFUTWMPV-MRXNPFEDSA-N 2 1 271.364 2.347 20 0 CEADMP c1cn(CCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cn1 ZINC000271902486 373205845 /nfs/dbraw/zinc/20/58/45/373205845.db2.gz HDDZHWQFUTWMPV-MRXNPFEDSA-N 2 1 271.364 2.347 20 0 CEADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCC[N@@H+](C)C3)C[C@H]2C1 ZINC000643882866 373291039 /nfs/dbraw/zinc/29/10/39/373291039.db2.gz CKVLZQYDNHICPE-AALSBFMBSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353595373 220180874 /nfs/dbraw/zinc/18/08/74/220180874.db2.gz JSYVDDJEZFEFBX-XUJVJEKNSA-N 2 1 272.396 2.381 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353595373 220180876 /nfs/dbraw/zinc/18/08/76/220180876.db2.gz JSYVDDJEZFEFBX-XUJVJEKNSA-N 2 1 272.396 2.381 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344952379 217366258 /nfs/dbraw/zinc/36/62/58/217366258.db2.gz SFZFMCALQRHZEI-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344952379 217366259 /nfs/dbraw/zinc/36/62/59/217366259.db2.gz SFZFMCALQRHZEI-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344952379 217366261 /nfs/dbraw/zinc/36/62/61/217366261.db2.gz SFZFMCALQRHZEI-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+](C[Si](C)(C)C)C1CC[NH+](C2CCOCC2)CC1 ZINC000369126372 373339147 /nfs/dbraw/zinc/33/91/47/373339147.db2.gz ORWDIJFDLSTNBL-UHFFFAOYSA-N 2 1 284.520 2.439 20 0 CEADMP C[N@@H+](C[Si](C)(C)C)C1CC[NH+](C2CCOCC2)CC1 ZINC000369126372 373339154 /nfs/dbraw/zinc/33/91/54/373339154.db2.gz ORWDIJFDLSTNBL-UHFFFAOYSA-N 2 1 284.520 2.439 20 0 CEADMP C(C[NH+]1CCCCC1)C[NH+]1CCC2(CCO2)CC1 ZINC000369326313 373389338 /nfs/dbraw/zinc/38/93/38/373389338.db2.gz GACFFIJIVQLRCG-UHFFFAOYSA-N 2 1 252.402 2.117 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)[nH]n1 ZINC000353622865 220198498 /nfs/dbraw/zinc/19/84/98/220198498.db2.gz OTRGGJYOTSNFLK-AEAUEXCSSA-N 2 1 276.428 2.112 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000353622865 220198501 /nfs/dbraw/zinc/19/85/01/220198501.db2.gz OTRGGJYOTSNFLK-AEAUEXCSSA-N 2 1 276.428 2.112 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000353622865 220198507 /nfs/dbraw/zinc/19/85/07/220198507.db2.gz OTRGGJYOTSNFLK-AEAUEXCSSA-N 2 1 276.428 2.112 20 0 CEADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000369616454 373470252 /nfs/dbraw/zinc/47/02/52/373470252.db2.gz SDRYVNYLMBNPAT-CVEARBPZSA-N 2 1 288.439 2.298 20 0 CEADMP CC[C@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccccc1 ZINC000644569531 373535455 /nfs/dbraw/zinc/53/54/55/373535455.db2.gz VSXQFDDRQIAJOM-OAHLLOKOSA-N 2 1 289.423 2.479 20 0 CEADMP Cc1ccc([C@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000644571580 373537004 /nfs/dbraw/zinc/53/70/04/373537004.db2.gz GWSVLHITKJLVDY-PBHICJAKSA-N 2 1 276.424 2.143 20 0 CEADMP Cc1ccc([C@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000644571580 373537022 /nfs/dbraw/zinc/53/70/22/373537022.db2.gz GWSVLHITKJLVDY-PBHICJAKSA-N 2 1 276.424 2.143 20 0 CEADMP CC(C)[C@H](C)C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644572767 373538886 /nfs/dbraw/zinc/53/88/86/373538886.db2.gz JYEJGNGSNWUFEG-WBVHZDCISA-N 2 1 278.440 2.361 20 0 CEADMP CC(C)[C@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644572767 373538894 /nfs/dbraw/zinc/53/88/94/373538894.db2.gz JYEJGNGSNWUFEG-WBVHZDCISA-N 2 1 278.440 2.361 20 0 CEADMP CC(C)[C@@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644572764 373540103 /nfs/dbraw/zinc/54/01/03/373540103.db2.gz JYEJGNGSNWUFEG-DOTOQJQBSA-N 2 1 278.440 2.361 20 0 CEADMP CC(C)[C@@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644572764 373540113 /nfs/dbraw/zinc/54/01/13/373540113.db2.gz JYEJGNGSNWUFEG-DOTOQJQBSA-N 2 1 278.440 2.361 20 0 CEADMP C[C@@H](O)C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000644607301 373556026 /nfs/dbraw/zinc/55/60/26/373556026.db2.gz DZQVMFAEZSAJBO-INMHGKMJSA-N 2 1 276.424 2.258 20 0 CEADMP C[N@@H+](CCO)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000370081243 373576811 /nfs/dbraw/zinc/57/68/11/373576811.db2.gz DZZRKAFYMMZTLW-UHFFFAOYSA-N 2 1 276.424 2.213 20 0 CEADMP CCn1nccc1CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000370278643 373624323 /nfs/dbraw/zinc/62/43/23/373624323.db2.gz IADWZEJUKNQVCE-MRXNPFEDSA-N 2 1 290.455 2.253 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ncccc2F)[C@H]2CCC[C@@H]21 ZINC000353642774 220218080 /nfs/dbraw/zinc/21/80/80/220218080.db2.gz IITLFWBRGQQSJX-SNPRPXQTSA-N 2 1 293.386 2.062 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@]12CCOC2 ZINC000370736784 373731523 /nfs/dbraw/zinc/73/15/23/373731523.db2.gz FNPSJZLWXSUSBE-OAHLLOKOSA-N 2 1 263.385 2.227 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@]12CCOC2 ZINC000370736784 373731525 /nfs/dbraw/zinc/73/15/25/373731525.db2.gz FNPSJZLWXSUSBE-OAHLLOKOSA-N 2 1 263.385 2.227 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CO)c1c(F)cccc1F ZINC000272966575 373737790 /nfs/dbraw/zinc/73/77/90/373737790.db2.gz BJDSHRLZRKBEIM-CQSZACIVSA-N 2 1 295.333 2.183 20 0 CEADMP Cc1[nH+]ccn1CCCN1CCC[N@@H+](CC(C)C)CC1 ZINC000371209477 373813393 /nfs/dbraw/zinc/81/33/93/373813393.db2.gz UOUPNYSSFBAVNR-UHFFFAOYSA-N 2 1 278.444 2.245 20 0 CEADMP Cc1[nH+]ccn1CCCN1CCC[N@H+](CC(C)C)CC1 ZINC000371209477 373813396 /nfs/dbraw/zinc/81/33/96/373813396.db2.gz UOUPNYSSFBAVNR-UHFFFAOYSA-N 2 1 278.444 2.245 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[Si](C)(C)C ZINC000371293282 373835033 /nfs/dbraw/zinc/83/50/33/373835033.db2.gz GGYHXPAEVQRFOZ-MGPQQGTHSA-N 2 1 270.493 2.047 20 0 CEADMP OCc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000371497473 373902846 /nfs/dbraw/zinc/90/28/46/373902846.db2.gz PRDTXYWTJMHMFS-FGTMMUONSA-N 2 1 286.419 2.095 20 0 CEADMP OCc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000371497473 373902849 /nfs/dbraw/zinc/90/28/49/373902849.db2.gz PRDTXYWTJMHMFS-FGTMMUONSA-N 2 1 286.419 2.095 20 0 CEADMP OCc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000371497473 373902854 /nfs/dbraw/zinc/90/28/54/373902854.db2.gz PRDTXYWTJMHMFS-FGTMMUONSA-N 2 1 286.419 2.095 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(C)(C)C ZINC000371471031 373893229 /nfs/dbraw/zinc/89/32/29/373893229.db2.gz QIUOHAXIXADFFZ-MCIONIFRSA-N 2 1 254.418 2.216 20 0 CEADMP Cc1nc(C(C)C)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000645078523 373842696 /nfs/dbraw/zinc/84/26/96/373842696.db2.gz QZNGRHAIQKNZTO-GJZGRUSLSA-N 2 1 259.397 2.165 20 0 CEADMP Cc1nc(C[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)no1 ZINC000333950529 205860974 /nfs/dbraw/zinc/86/09/74/205860974.db2.gz YGTKLDCHCMTIRE-SNPRPXQTSA-N 2 1 292.427 2.021 20 0 CEADMP CC[N@@H+](C)CCN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274972284 374109103 /nfs/dbraw/zinc/10/91/03/374109103.db2.gz YDTQWIHBBOXLHV-WMZOPIPTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+](C)CCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972284 374109108 /nfs/dbraw/zinc/10/91/08/374109108.db2.gz YDTQWIHBBOXLHV-WMZOPIPTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+](C)CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972284 374109111 /nfs/dbraw/zinc/10/91/11/374109111.db2.gz YDTQWIHBBOXLHV-WMZOPIPTSA-N 2 1 289.467 2.438 20 0 CEADMP CCN(C)CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972284 374109117 /nfs/dbraw/zinc/10/91/17/374109117.db2.gz YDTQWIHBBOXLHV-WMZOPIPTSA-N 2 1 289.467 2.438 20 0 CEADMP CCN(C)CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972284 374109121 /nfs/dbraw/zinc/10/91/21/374109121.db2.gz YDTQWIHBBOXLHV-WMZOPIPTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCC[C@H]2CCOC2)CC1 ZINC000645811873 374199208 /nfs/dbraw/zinc/19/92/08/374199208.db2.gz UBRQVQVIGUHARQ-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCC[C@H]2CCOC2)CC1 ZINC000645811873 374199213 /nfs/dbraw/zinc/19/92/13/374199213.db2.gz UBRQVQVIGUHARQ-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP COC1(C[C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000373023541 374244951 /nfs/dbraw/zinc/24/49/51/374244951.db2.gz WOCQZFNBBCNTDY-KGLIPLIRSA-N 2 1 277.412 2.383 20 0 CEADMP COC1(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCOCC1 ZINC000373033950 374249214 /nfs/dbraw/zinc/24/92/14/374249214.db2.gz HGRJGFAIOBQABF-MRXNPFEDSA-N 2 1 296.455 2.132 20 0 CEADMP CCCCNC(=O)C[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000277212283 374439606 /nfs/dbraw/zinc/43/96/06/374439606.db2.gz NJHRRUATHTXHCH-UHFFFAOYSA-N 2 1 294.443 2.074 20 0 CEADMP CCCCNC(=O)C[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000277212283 374439611 /nfs/dbraw/zinc/43/96/11/374439611.db2.gz NJHRRUATHTXHCH-UHFFFAOYSA-N 2 1 294.443 2.074 20 0 CEADMP Cc1cccc(NC2CC[NH+](C[C@H](O)C(C)C)CC2)[nH+]1 ZINC000374094453 374486877 /nfs/dbraw/zinc/48/68/77/374486877.db2.gz NKNNQEAUOKULMV-HNNXBMFYSA-N 2 1 277.412 2.283 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)c1ncnc(N)c1Cl ZINC000277695594 374613196 /nfs/dbraw/zinc/61/31/96/374613196.db2.gz GEQWHLWPCXFPBB-SNVBAGLBSA-N 2 1 283.807 2.023 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]CCCc2ccc(C)nc2)C1 ZINC000684372437 541986996 /nfs/dbraw/zinc/98/69/96/541986996.db2.gz WNEFSXBTHATRMQ-INIZCTEOSA-N 2 1 261.413 2.254 20 0 CEADMP c1cn2c(cccc2C[N@H+]2CCCC23CCOCC3)n1 ZINC000378442372 375101312 /nfs/dbraw/zinc/10/13/12/375101312.db2.gz KBVAKCWWDPBFHN-UHFFFAOYSA-N 2 1 271.364 2.479 20 0 CEADMP CC[C@@]1(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC[NH2+]C1 ZINC000378226049 375048083 /nfs/dbraw/zinc/04/80/83/375048083.db2.gz VHDZTCVJUCXXKQ-RHSMWYFYSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cncc(F)c1 ZINC000280224005 375134113 /nfs/dbraw/zinc/13/41/13/375134113.db2.gz LPSLJZDPBCXKII-UHFFFAOYSA-N 2 1 262.332 2.248 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cncc(F)c1 ZINC000280224005 375134118 /nfs/dbraw/zinc/13/41/18/375134118.db2.gz LPSLJZDPBCXKII-UHFFFAOYSA-N 2 1 262.332 2.248 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000379635075 375154673 /nfs/dbraw/zinc/15/46/73/375154673.db2.gz VYGHAFNADCQCND-NXHRZFHOSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379655666 375156825 /nfs/dbraw/zinc/15/68/25/375156825.db2.gz MLPTUJVYEPQJBP-QBYUYEEZSA-N 2 1 275.440 2.365 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000378517817 375121902 /nfs/dbraw/zinc/12/19/02/375121902.db2.gz KAQOOJDUXJJAAP-SJORKVTESA-N 2 1 292.398 2.203 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000378517817 375121907 /nfs/dbraw/zinc/12/19/07/375121907.db2.gz KAQOOJDUXJJAAP-SJORKVTESA-N 2 1 292.398 2.203 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000378517817 375121916 /nfs/dbraw/zinc/12/19/16/375121916.db2.gz KAQOOJDUXJJAAP-SJORKVTESA-N 2 1 292.398 2.203 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000378517817 375121926 /nfs/dbraw/zinc/12/19/26/375121926.db2.gz KAQOOJDUXJJAAP-SJORKVTESA-N 2 1 292.398 2.203 20 0 CEADMP CCC1CCC(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000389104610 375299296 /nfs/dbraw/zinc/29/92/96/375299296.db2.gz JPKBOLYLVKSPEH-XUJLQICISA-N 2 1 268.445 2.248 20 0 CEADMP CCC1CCC(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000389104610 375299304 /nfs/dbraw/zinc/29/93/04/375299304.db2.gz JPKBOLYLVKSPEH-XUJLQICISA-N 2 1 268.445 2.248 20 0 CEADMP COc1cc2c(cc1C[NH2+]C[C@H](C)C[NH+](C)C)O[C@H](C)C2 ZINC000386744482 375265442 /nfs/dbraw/zinc/26/54/42/375265442.db2.gz YHIKQYRSFZXKQO-QWHCGFSZSA-N 2 1 292.423 2.306 20 0 CEADMP Cc1ccc(F)c(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000282196252 375426336 /nfs/dbraw/zinc/42/63/36/375426336.db2.gz CIPWNIQBHWBBHO-UHFFFAOYSA-N 2 1 293.430 2.250 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000412418338 375554073 /nfs/dbraw/zinc/55/40/73/375554073.db2.gz LWNLRCFPQUVDKT-HUUCEWRRSA-N 2 1 283.460 2.001 20 0 CEADMP CC[C@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC ZINC000412976686 375773780 /nfs/dbraw/zinc/77/37/80/375773780.db2.gz JWRLTPWSEWSBKS-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000284057498 375802287 /nfs/dbraw/zinc/80/22/87/375802287.db2.gz KOQSKGFWKCYAAL-INIZCTEOSA-N 2 1 289.427 2.483 20 0 CEADMP CCCc1csc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000414795681 375980322 /nfs/dbraw/zinc/98/03/22/375980322.db2.gz GVMMWVZHQLWNJK-PWSUYJOCSA-N 2 1 253.415 2.313 20 0 CEADMP CC[C@H]1C[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCO1 ZINC000414762781 375954754 /nfs/dbraw/zinc/95/47/54/375954754.db2.gz BBVZLIOIMKZVPS-WCVJEAGWSA-N 2 1 266.429 2.123 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)C1CC1 ZINC000414796814 375980694 /nfs/dbraw/zinc/98/06/94/375980694.db2.gz IAVFDRVUYHOFCT-GFCCVEGCSA-N 2 1 256.296 2.115 20 0 CEADMP Cc1ccc(C(=O)C2CC[NH+](CCC[NH3+])CC2)cc1 ZINC000414688597 375918558 /nfs/dbraw/zinc/91/85/58/375918558.db2.gz JKRFMKWHPMRVMM-UHFFFAOYSA-N 2 1 260.381 2.239 20 0 CEADMP CCN(CCC[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414688887 375919199 /nfs/dbraw/zinc/91/91/99/375919199.db2.gz KAAQDJXPSSPDKY-DOTOQJQBSA-N 2 1 275.440 2.493 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000414687500 375919424 /nfs/dbraw/zinc/91/94/24/375919424.db2.gz BZMYLLZOQUHQHO-HOCLYGCPSA-N 2 1 297.487 2.233 20 0 CEADMP CC(C)CO[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414707151 375932556 /nfs/dbraw/zinc/93/25/56/375932556.db2.gz MOJFSELVMMXWJS-RRFJBIMHSA-N 2 1 254.418 2.121 20 0 CEADMP COc1ccc([C@H](CO)[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414707218 375932747 /nfs/dbraw/zinc/93/27/47/375932747.db2.gz YQBZYTDJFGQCEB-KEYYUXOJSA-N 2 1 292.423 2.049 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC[NH2+]1 ZINC000414713528 375936986 /nfs/dbraw/zinc/93/69/86/375936986.db2.gz WBFDJPJBALXQBW-ZACQAIPSSA-N 3 1 279.472 2.182 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](CCO)CC2CCCCC2)CC[NH2+]1 ZINC000414732986 375943452 /nfs/dbraw/zinc/94/34/52/375943452.db2.gz CAINZORCJITSCB-HOCLYGCPSA-N 2 1 268.445 2.249 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000414735728 375943845 /nfs/dbraw/zinc/94/38/45/375943845.db2.gz MHQDIVXYDIIQRP-MRXNPFEDSA-N 3 1 269.477 2.414 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(OCC2CC2)CC1 ZINC000414737069 375944138 /nfs/dbraw/zinc/94/41/38/375944138.db2.gz HEQPCZYEEMGONB-CQSZACIVSA-N 2 1 254.418 2.251 20 0 CEADMP [NH3+]CCC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000414741241 375946080 /nfs/dbraw/zinc/94/60/80/375946080.db2.gz FEYURSQESGJOAR-MRXNPFEDSA-N 2 1 262.397 2.059 20 0 CEADMP C[C@@H](CCc1ccccc1F)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414796400 375980119 /nfs/dbraw/zinc/98/01/19/375980119.db2.gz AGOWWYJQJMLIDN-XHDPSFHLSA-N 2 1 250.361 2.474 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000414805744 375991885 /nfs/dbraw/zinc/99/18/85/375991885.db2.gz PPYVBLQKLPSMGP-LBPRGKRZSA-N 2 1 274.286 2.412 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(-n2cncn2)c(C)c1 ZINC000414814926 376002756 /nfs/dbraw/zinc/00/27/56/376002756.db2.gz OTGLRDSLHVZNSM-HNNXBMFYSA-N 2 1 287.411 2.183 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1 ZINC000414832808 376007992 /nfs/dbraw/zinc/00/79/92/376007992.db2.gz DVPKQJWBJQHVJT-OAHLLOKOSA-N 2 1 263.385 2.108 20 0 CEADMP COC1CCC([NH2+][C@H](C[NH3+])C2CCCCC2)CC1 ZINC000414832376 376009141 /nfs/dbraw/zinc/00/91/41/376009141.db2.gz DKUKSCGEBUACDR-YMAMQOFZSA-N 2 1 254.418 2.441 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000414973890 376015290 /nfs/dbraw/zinc/01/52/90/376015290.db2.gz NBRVWNKGTIWARI-OAHLLOKOSA-N 2 1 290.407 2.326 20 0 CEADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1OC(C)C ZINC000414803823 375989442 /nfs/dbraw/zinc/98/94/42/375989442.db2.gz OFIGEBJLBSMFEO-CQSZACIVSA-N 2 1 278.396 2.309 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287016904 376129510 /nfs/dbraw/zinc/12/95/10/376129510.db2.gz QSKZLWBYPOFYAN-CQSZACIVSA-N 2 1 299.422 2.402 20 0 CEADMP C[C@H]1[C@@H](NC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000287351632 376213287 /nfs/dbraw/zinc/21/32/87/376213287.db2.gz NMLLAXREMLGMAH-YJBOKZPZSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@H]1[C@@H](NC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000287351632 376213290 /nfs/dbraw/zinc/21/32/90/376213290.db2.gz NMLLAXREMLGMAH-YJBOKZPZSA-N 2 1 287.451 2.333 20 0 CEADMP CC[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)OC ZINC000419246784 376413198 /nfs/dbraw/zinc/41/31/98/376413198.db2.gz WNQLKVWFDMWQRV-FVQBIDKESA-N 2 1 266.429 2.360 20 0 CEADMP CC[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OC ZINC000419246784 376413203 /nfs/dbraw/zinc/41/32/03/376413203.db2.gz WNQLKVWFDMWQRV-FVQBIDKESA-N 2 1 266.429 2.360 20 0 CEADMP CC[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)OC ZINC000419246784 376413207 /nfs/dbraw/zinc/41/32/07/376413207.db2.gz WNQLKVWFDMWQRV-FVQBIDKESA-N 2 1 266.429 2.360 20 0 CEADMP CO[C@@H](CC(C)C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000419210837 376395423 /nfs/dbraw/zinc/39/54/23/376395423.db2.gz VZTBSSYMBBXXJX-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000263333136 190067926 /nfs/dbraw/zinc/06/79/26/190067926.db2.gz MQOOQAQSGVSVMA-ZBFHGGJFSA-N 2 1 289.423 2.067 20 0 CEADMP C[N@@H+](C[C@@H](O)CN1CCC[C@H]1c1ccc(F)cc1)C1CC1 ZINC000289725195 376465764 /nfs/dbraw/zinc/46/57/64/376465764.db2.gz HDNUIEMSAKKXCC-SJORKVTESA-N 2 1 292.398 2.418 20 0 CEADMP C[C@H]([NH2+]CCc1cn[nH]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289804818 376509951 /nfs/dbraw/zinc/50/99/51/376509951.db2.gz ODLJPKHVFOGBLV-MAUKXSAKSA-N 2 1 298.434 2.452 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1O ZINC000289811982 376511972 /nfs/dbraw/zinc/51/19/72/376511972.db2.gz PMOQIFNRDSNMCZ-NEPJUHHUSA-N 2 1 266.385 2.392 20 0 CEADMP CC[C@H]1C[N@@H+](C)CCN1Cc1cn2cc(C)ccc2n1 ZINC000556955384 376524442 /nfs/dbraw/zinc/52/44/42/376524442.db2.gz SRYOWWBAGIUDGA-HNNXBMFYSA-N 2 1 272.396 2.169 20 0 CEADMP COCCC1([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000419738024 376491571 /nfs/dbraw/zinc/49/15/71/376491571.db2.gz YSNBLKXWMGVPDX-KGLIPLIRSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@H]1[C@@H](NCc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000309746891 376603587 /nfs/dbraw/zinc/60/35/87/376603587.db2.gz USBMXHANHGFDAK-YOEHRIQHSA-N 2 1 284.407 2.173 20 0 CEADMP C[C@H]1[C@@H](NCc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000309746891 376603594 /nfs/dbraw/zinc/60/35/94/376603594.db2.gz USBMXHANHGFDAK-YOEHRIQHSA-N 2 1 284.407 2.173 20 0 CEADMP CCC1(C[N@@H+](C)CCCN(C)CC[NH+](C)C)CCOCC1 ZINC000558422342 376607834 /nfs/dbraw/zinc/60/78/34/376607834.db2.gz BHLDGJOFGKHHAY-UHFFFAOYSA-N 2 1 299.503 2.009 20 0 CEADMP c1n[nH]cc1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000289989967 376593622 /nfs/dbraw/zinc/59/36/22/376593622.db2.gz XLKHXZRHAJEVPR-UHFFFAOYSA-N 2 1 284.407 2.206 20 0 CEADMP CC[NH2+]CC1CCN(c2cc[nH+]cc2C(=O)OCC)CC1 ZINC000420206454 376614902 /nfs/dbraw/zinc/61/49/02/376614902.db2.gz JXCORZRVBPQDCN-UHFFFAOYSA-N 2 1 291.395 2.084 20 0 CEADMP CCCN(c1cc(C(C)C)[nH+]c(N(C)C)n1)[C@@H]1CC[NH2+]C1 ZINC000420216610 376622822 /nfs/dbraw/zinc/62/28/22/376622822.db2.gz MIFYEUWMDGCFTG-CYBMUJFWSA-N 2 1 291.443 2.244 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(N(C)C)s1 ZINC000264407958 190107912 /nfs/dbraw/zinc/10/79/12/190107912.db2.gz YUDNBEWZJRTKED-NSHDSACASA-N 2 1 293.440 2.140 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCOC1 ZINC000310793024 376636621 /nfs/dbraw/zinc/63/66/21/376636621.db2.gz VPKPFKIXJZABOG-BYNSBNAKSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCOC1 ZINC000310793024 376636628 /nfs/dbraw/zinc/63/66/28/376636628.db2.gz VPKPFKIXJZABOG-BYNSBNAKSA-N 2 1 252.402 2.018 20 0 CEADMP Cn1c(N[C@H](CC[NH3+])C(F)F)[nH+]c2cccc(F)c21 ZINC000420268525 376680589 /nfs/dbraw/zinc/68/05/89/376680589.db2.gz SFFFHGHMLYUJDO-SECBINFHSA-N 2 1 272.274 2.107 20 0 CEADMP CCCC[NH+]1CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000312328673 376709024 /nfs/dbraw/zinc/70/90/24/376709024.db2.gz AATVLTXLHYOZGM-UHFFFAOYSA-N 2 1 279.472 2.467 20 0 CEADMP Cn1nccc1-c1ccccc1C[N@@H+](C)CCC[NH+](C)C ZINC000560523836 376759575 /nfs/dbraw/zinc/75/95/75/376759575.db2.gz DSUXGIYXJYLGSC-UHFFFAOYSA-N 2 1 286.423 2.471 20 0 CEADMP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC000561531540 376816585 /nfs/dbraw/zinc/81/65/85/376816585.db2.gz AONFPKAGFHHRKX-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000290616977 376852678 /nfs/dbraw/zinc/85/26/78/376852678.db2.gz WZLFJCCKMWCQLC-HIFRSBDPSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000290616977 376852686 /nfs/dbraw/zinc/85/26/86/376852686.db2.gz WZLFJCCKMWCQLC-HIFRSBDPSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000290616977 376852695 /nfs/dbraw/zinc/85/26/95/376852695.db2.gz WZLFJCCKMWCQLC-HIFRSBDPSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000290616977 376852703 /nfs/dbraw/zinc/85/27/03/376852703.db2.gz WZLFJCCKMWCQLC-HIFRSBDPSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(OCCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422901314 376859138 /nfs/dbraw/zinc/85/91/38/376859138.db2.gz RXOXHHGSLATYNB-XJKSGUPXSA-N 2 1 278.396 2.052 20 0 CEADMP CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)CCO1 ZINC000422986223 376906425 /nfs/dbraw/zinc/90/64/25/376906425.db2.gz GTFZRNNSKNNIPR-SLEUVZQESA-N 2 1 263.385 2.348 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000422998103 376915343 /nfs/dbraw/zinc/91/53/43/376915343.db2.gz PQGLPSMXOYZPHM-CVEARBPZSA-N 2 1 267.461 2.229 20 0 CEADMP CCC(CC)[C@H](CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C)OC ZINC000423002080 376919015 /nfs/dbraw/zinc/91/90/15/376919015.db2.gz YHLCIDYOPINILM-YUELXQCFSA-N 2 1 256.434 2.415 20 0 CEADMP CC[C@@H](NC[C@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000423001396 376919759 /nfs/dbraw/zinc/91/97/59/376919759.db2.gz WWSZWZFXNUEEAW-ZACQAIPSSA-N 2 1 281.488 2.475 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1ccccc1Cl ZINC000423005583 376924180 /nfs/dbraw/zinc/92/41/80/376924180.db2.gz SIBSMAKFNXDZIP-NWDGAFQWSA-N 2 1 254.761 2.188 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000423016909 376932500 /nfs/dbraw/zinc/93/25/00/376932500.db2.gz NQKTVKFZRNLSKO-BBRMVZONSA-N 2 1 258.409 2.379 20 0 CEADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423018369 376933525 /nfs/dbraw/zinc/93/35/25/376933525.db2.gz YSGURIFRQNTUCW-JJRVBVJISA-N 2 1 276.424 2.461 20 0 CEADMP CCC(C)(C)[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000562564617 376933681 /nfs/dbraw/zinc/93/36/81/376933681.db2.gz HDLNQIDOJJTWIJ-ZDUSSCGKSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423056037 376950432 /nfs/dbraw/zinc/95/04/32/376950432.db2.gz WTMKWSCVJCSJTN-QQFBHYJXSA-N 3 1 267.461 2.358 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000423056061 376950734 /nfs/dbraw/zinc/95/07/34/376950734.db2.gz WWXLXYMTBRIVJV-MQIPJXDCSA-N 2 1 290.386 2.364 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)CC2 ZINC000423067894 376958044 /nfs/dbraw/zinc/95/80/44/376958044.db2.gz ANVAOXDSMYNQEZ-AEGPPILISA-N 2 1 276.428 2.051 20 0 CEADMP CCNC(=O)C1(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CCC1 ZINC000423073148 376965039 /nfs/dbraw/zinc/96/50/39/376965039.db2.gz KSKHUMSLJGEHFT-CABCVRRESA-N 2 1 287.407 2.027 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423085585 376980258 /nfs/dbraw/zinc/98/02/58/376980258.db2.gz KWBBPFCUKLVWAQ-UXLLHSPISA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423085585 376980261 /nfs/dbraw/zinc/98/02/61/376980261.db2.gz KWBBPFCUKLVWAQ-UXLLHSPISA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423085585 376980264 /nfs/dbraw/zinc/98/02/64/376980264.db2.gz KWBBPFCUKLVWAQ-UXLLHSPISA-N 3 1 275.440 2.224 20 0 CEADMP C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423088601 376982992 /nfs/dbraw/zinc/98/29/92/376982992.db2.gz SIUMGSNQRKXJME-NXHRZFHOSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1ccccc1F ZINC000423093473 376987517 /nfs/dbraw/zinc/98/75/17/376987517.db2.gz HPTDRIFJCBTXAF-DOMZBBRYSA-N 2 1 250.361 2.346 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1c[nH+]ccc1N ZINC000423097379 376990692 /nfs/dbraw/zinc/99/06/92/376990692.db2.gz AQLAIGQVAQBBGF-LLVKDONJSA-N 2 1 281.363 2.264 20 0 CEADMP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423106020 376998527 /nfs/dbraw/zinc/99/85/27/376998527.db2.gz JCUBJNROJMRQCZ-QWRGUYRKSA-N 2 1 280.334 2.076 20 0 CEADMP FC(F)(F)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000423155629 377057044 /nfs/dbraw/zinc/05/70/44/377057044.db2.gz JMCSRSIIPJPWED-FOSCPWQOSA-N 2 1 285.313 2.473 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cn1 ZINC000423182060 377094782 /nfs/dbraw/zinc/09/47/82/377094782.db2.gz PRLMKXFRTILQQJ-GFCCVEGCSA-N 2 1 250.390 2.215 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)C12CCC2 ZINC000563109197 377097926 /nfs/dbraw/zinc/09/79/26/377097926.db2.gz DZWRIJFWZNJNSZ-SOUVJXGZSA-N 2 1 266.429 2.408 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1(C)C ZINC000423189335 377103117 /nfs/dbraw/zinc/10/31/17/377103117.db2.gz PFGFNAIEYVMWSQ-JKSUJKDBSA-N 2 1 291.439 2.355 20 0 CEADMP CC[N@@H+]1C[C@H](NCC[NH2+]C2CCCCCC2)[C@@H](C)C1 ZINC000423270541 377192708 /nfs/dbraw/zinc/19/27/08/377192708.db2.gz GQFRIJZAFNAUDY-HOCLYGCPSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)[C@@H]1CCC[NH2+]C1 ZINC000423213667 377128896 /nfs/dbraw/zinc/12/88/96/377128896.db2.gz KJOUMOZUMPIQTJ-GRYCIOLGSA-N 2 1 251.349 2.259 20 0 CEADMP COC(=O)c1coc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000423212944 377129248 /nfs/dbraw/zinc/12/92/48/377129248.db2.gz JHPLZAUVMFSXNH-GRYCIOLGSA-N 2 1 280.368 2.105 20 0 CEADMP C[NH2+]CC[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423223577 377139351 /nfs/dbraw/zinc/13/93/51/377139351.db2.gz GQENTHCCOUFHJO-LSDHHAIUSA-N 2 1 262.397 2.179 20 0 CEADMP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C1(C)C ZINC000423230525 377148420 /nfs/dbraw/zinc/14/84/20/377148420.db2.gz DXLGVHHQQMIDFM-HZSPNIEDSA-N 2 1 254.418 2.168 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000423234577 377153009 /nfs/dbraw/zinc/15/30/09/377153009.db2.gz LZJBDPOSKWYJAZ-LBPRGKRZSA-N 2 1 280.412 2.142 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000423258288 377176243 /nfs/dbraw/zinc/17/62/43/377176243.db2.gz BFLNZMPBBADHAZ-RBSFLKMASA-N 2 1 278.444 2.409 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423259198 377178616 /nfs/dbraw/zinc/17/86/16/377178616.db2.gz DFGOXIPUCSCLOF-WFASDCNBSA-N 2 1 250.386 2.203 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000423282740 377209500 /nfs/dbraw/zinc/20/95/00/377209500.db2.gz WXCNKILNTMKFML-FZMZJTMJSA-N 2 1 253.365 2.363 20 0 CEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2c(c1)OCCCO2 ZINC000423283005 377210605 /nfs/dbraw/zinc/21/06/05/377210605.db2.gz VPCAKRCRQJTYHB-RISCZKNCSA-N 2 1 276.380 2.236 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OCC[NH+](C)C)cc1 ZINC000423289572 377220413 /nfs/dbraw/zinc/22/04/13/377220413.db2.gz XPPHJWLQJOZCME-ZDUSSCGKSA-N 3 1 279.428 2.015 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000423293613 377222441 /nfs/dbraw/zinc/22/24/41/377222441.db2.gz AHOLZRMYUATYHL-GMTAPVOTSA-N 2 1 268.323 2.203 20 0 CEADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC1([NH3+])CCC1 ZINC000423336632 377268060 /nfs/dbraw/zinc/26/80/60/377268060.db2.gz UUIFTOPGZZVQGD-ZDUSSCGKSA-N 2 1 264.344 2.293 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(CCc3ccccc3F)C2)C1 ZINC000292225711 377231659 /nfs/dbraw/zinc/23/16/59/377231659.db2.gz VIWUHDNDWXHQEK-MRXNPFEDSA-N 2 1 262.372 2.396 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3ccccc3F)C2)C1 ZINC000292225711 377231669 /nfs/dbraw/zinc/23/16/69/377231669.db2.gz VIWUHDNDWXHQEK-MRXNPFEDSA-N 2 1 262.372 2.396 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3ccccc3F)C2)C1 ZINC000292225711 377231678 /nfs/dbraw/zinc/23/16/78/377231678.db2.gz VIWUHDNDWXHQEK-MRXNPFEDSA-N 2 1 262.372 2.396 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCc3ccccc3F)C2)C1 ZINC000292225711 377231690 /nfs/dbraw/zinc/23/16/90/377231690.db2.gz VIWUHDNDWXHQEK-MRXNPFEDSA-N 2 1 262.372 2.396 20 0 CEADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423321647 377253003 /nfs/dbraw/zinc/25/30/03/377253003.db2.gz NHWSZCMBFOAZRC-MEBBXXQBSA-N 2 1 261.369 2.033 20 0 CEADMP [NH3+][C@H](C[NH2+][C@@H]1CSCCc2ccccc21)C1CC1 ZINC000423326869 377260152 /nfs/dbraw/zinc/26/01/52/377260152.db2.gz RGMPPPIEUDKKGM-HUUCEWRRSA-N 2 1 262.422 2.344 20 0 CEADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)CCC2 ZINC000423277074 377202106 /nfs/dbraw/zinc/20/21/06/377202106.db2.gz PCHJSTBHVRUUER-GHMZBOCLSA-N 2 1 253.415 2.402 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)CCO1 ZINC000423276941 377202357 /nfs/dbraw/zinc/20/23/57/377202357.db2.gz NPTGBEZJUOGESY-ZFWWWQNUSA-N 2 1 254.418 2.456 20 0 CEADMP Cc1cnccc1CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000563706623 377279349 /nfs/dbraw/zinc/27/93/49/377279349.db2.gz JEJFLESOWWTGKM-INIZCTEOSA-N 2 1 261.413 2.349 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)CC[NH+](C)C)c1ccccc1 ZINC000264873120 190140692 /nfs/dbraw/zinc/14/06/92/190140692.db2.gz GXUDNKVNZQRJAG-ZBFHGGJFSA-N 2 1 291.439 2.136 20 0 CEADMP C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1c[nH+]ccc1N ZINC000564826242 377469352 /nfs/dbraw/zinc/46/93/52/377469352.db2.gz GWXJXFWRHKWSKY-XZJROXQQSA-N 2 1 275.396 2.350 20 0 CEADMP COc1ccccc1/C=C\C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000564973590 377518579 /nfs/dbraw/zinc/51/85/79/377518579.db2.gz MUWFXTWZWHXAJH-XQDHMALISA-N 2 1 272.392 2.394 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000564973590 377518590 /nfs/dbraw/zinc/51/85/90/377518590.db2.gz MUWFXTWZWHXAJH-XQDHMALISA-N 2 1 272.392 2.394 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000332222925 377545822 /nfs/dbraw/zinc/54/58/22/377545822.db2.gz WKIUIZIMTBLFLD-UHFFFAOYSA-N 2 1 290.367 2.103 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000430767602 377549617 /nfs/dbraw/zinc/54/96/17/377549617.db2.gz XWVZSSZNVQQMLX-OWCLPIDISA-N 2 1 295.471 2.275 20 0 CEADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430916488 377562805 /nfs/dbraw/zinc/56/28/05/377562805.db2.gz HKGUNUPFQVFNCQ-OAHLLOKOSA-N 2 1 262.397 2.353 20 0 CEADMP Cc1csc(C[N@@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000088599285 249306692 /nfs/dbraw/zinc/30/66/92/249306692.db2.gz PZPGJUJHCXWGQO-UHFFFAOYSA-N 2 1 253.415 2.225 20 0 CEADMP CCCCN(CC)C(=O)C[N@H+](CCC)C1CC[NH2+]CC1 ZINC000431104702 377600637 /nfs/dbraw/zinc/60/06/37/377600637.db2.gz HELFLZKZLCBAHD-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCN(CC)C(=O)C[N@@H+](CCC)C1CC[NH2+]CC1 ZINC000431104702 377600642 /nfs/dbraw/zinc/60/06/42/377600642.db2.gz HELFLZKZLCBAHD-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP COCC[NH+]1CCC([NH2+]Cc2ccsc2C)CC1 ZINC000293527957 377609958 /nfs/dbraw/zinc/60/99/58/377609958.db2.gz JCNFKRDNAHKSJJ-UHFFFAOYSA-N 2 1 268.426 2.257 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCOC2(C)C)cn1 ZINC000293720223 377720613 /nfs/dbraw/zinc/72/06/13/377720613.db2.gz MKDSXFDOJJHOBS-CQSZACIVSA-N 2 1 286.379 2.233 20 0 CEADMP C[C@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432366304 377755177 /nfs/dbraw/zinc/75/51/77/377755177.db2.gz DWEGUDQGEWITDY-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432366304 377755185 /nfs/dbraw/zinc/75/51/85/377755185.db2.gz DWEGUDQGEWITDY-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1(C)C ZINC000432410941 377757557 /nfs/dbraw/zinc/75/75/57/377757557.db2.gz TUWPNFFAEDRZEZ-HRCADAONSA-N 2 1 298.471 2.281 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1(C)C ZINC000432410941 377757565 /nfs/dbraw/zinc/75/75/65/377757565.db2.gz TUWPNFFAEDRZEZ-HRCADAONSA-N 2 1 298.471 2.281 20 0 CEADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000333317543 377760484 /nfs/dbraw/zinc/76/04/84/377760484.db2.gz TWBSOXHFLJBSAC-LXTVHRRPSA-N 3 1 288.439 2.167 20 0 CEADMP C[C@H](CC1CC1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432431472 377763196 /nfs/dbraw/zinc/76/31/96/377763196.db2.gz WEPBOAYSVVHXJB-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](CC1CC1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432431472 377763205 /nfs/dbraw/zinc/76/32/05/377763205.db2.gz WEPBOAYSVVHXJB-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH2+]CCC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000435872591 377811517 /nfs/dbraw/zinc/81/15/17/377811517.db2.gz ZMGZKHJMGTUBNR-AWEZNQCLSA-N 2 1 250.361 2.300 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@H](CC[NH3+])C2)s1 ZINC000442926253 378019241 /nfs/dbraw/zinc/01/92/41/378019241.db2.gz YASVMJMMZDVWSO-LLVKDONJSA-N 2 1 253.415 2.266 20 0 CEADMP Cc1nocc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000294295904 377970313 /nfs/dbraw/zinc/97/03/13/377970313.db2.gz WRKONEYXOOREQY-UHFFFAOYSA-N 2 1 259.353 2.334 20 0 CEADMP COc1ccc(CC2CC[NH+](C[C@H](C)[NH3+])CC2)cc1 ZINC000442665365 377978676 /nfs/dbraw/zinc/97/86/76/377978676.db2.gz OQTTZQKNQAVRFH-ZDUSSCGKSA-N 2 1 262.397 2.297 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)ccc21 ZINC000442919405 378017572 /nfs/dbraw/zinc/01/75/72/378017572.db2.gz IZOBPFAHZOIHMD-ZDUSSCGKSA-N 2 1 272.396 2.134 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000443071522 378035199 /nfs/dbraw/zinc/03/51/99/378035199.db2.gz MRPSMUDRJCQUAQ-CYBMUJFWSA-N 2 1 266.360 2.265 20 0 CEADMP CC[C@@H]1CCC[NH+]1CC(O)C[N@@H+]1CCC[C@H]1CC ZINC000447344908 378104269 /nfs/dbraw/zinc/10/42/69/378104269.db2.gz FKZCYTCUKXIPRT-ZIAGYGMSSA-N 2 1 254.418 2.096 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295489058 378180190 /nfs/dbraw/zinc/18/01/90/378180190.db2.gz AJIGOCXFWQERLA-YHWZYXNKSA-N 2 1 289.379 2.295 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295489058 378180195 /nfs/dbraw/zinc/18/01/95/378180195.db2.gz AJIGOCXFWQERLA-YHWZYXNKSA-N 2 1 289.379 2.295 20 0 CEADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000449838760 378236772 /nfs/dbraw/zinc/23/67/72/378236772.db2.gz IHTGZDQMCSUSFB-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449838760 378236779 /nfs/dbraw/zinc/23/67/79/378236779.db2.gz IHTGZDQMCSUSFB-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000449838760 378236781 /nfs/dbraw/zinc/23/67/81/378236781.db2.gz IHTGZDQMCSUSFB-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000450410936 378401828 /nfs/dbraw/zinc/40/18/28/378401828.db2.gz ZQYSJPFYUASDFW-HOTGVXAUSA-N 2 1 267.461 2.133 20 0 CEADMP CCC[C@@H](O)C[N@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000450375020 378381767 /nfs/dbraw/zinc/38/17/67/378381767.db2.gz DKGDFFSPVVOESH-ZIAGYGMSSA-N 2 1 265.401 2.243 20 0 CEADMP CCc1cc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc[nH+]1 ZINC000450483136 378443006 /nfs/dbraw/zinc/44/30/06/378443006.db2.gz IRBNZAJHBWPAFB-CQSZACIVSA-N 2 1 289.423 2.334 20 0 CEADMP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000296254790 378467647 /nfs/dbraw/zinc/46/76/47/378467647.db2.gz DAYXFNSLBPJEST-LSDHHAIUSA-N 2 1 261.413 2.395 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(CC(C)(C)[NH3+])CC1 ZINC000346840485 218032104 /nfs/dbraw/zinc/03/21/04/218032104.db2.gz ZYRDWIRZQILOEC-UHFFFAOYSA-N 2 1 255.450 2.168 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346840485 218032107 /nfs/dbraw/zinc/03/21/07/218032107.db2.gz ZYRDWIRZQILOEC-UHFFFAOYSA-N 3 1 255.450 2.168 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346840485 218032108 /nfs/dbraw/zinc/03/21/08/218032108.db2.gz ZYRDWIRZQILOEC-UHFFFAOYSA-N 3 1 255.450 2.168 20 0 CEADMP CC(C)c1ncc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000346822982 218025127 /nfs/dbraw/zinc/02/51/27/218025127.db2.gz JNXIDXWFLQIOMO-CYZMBNFOSA-N 2 1 265.426 2.436 20 0 CEADMP CC(C)c1ncc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000346822982 218025130 /nfs/dbraw/zinc/02/51/30/218025130.db2.gz JNXIDXWFLQIOMO-CYZMBNFOSA-N 2 1 265.426 2.436 20 0 CEADMP CC(C)c1ncc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000346822984 218025142 /nfs/dbraw/zinc/02/51/42/218025142.db2.gz JNXIDXWFLQIOMO-UHTWSYAYSA-N 2 1 265.426 2.436 20 0 CEADMP CC(C)c1ncc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000346822984 218025146 /nfs/dbraw/zinc/02/51/46/218025146.db2.gz JNXIDXWFLQIOMO-UHTWSYAYSA-N 2 1 265.426 2.436 20 0 CEADMP COCC[N@H+](CC(C)(C)[NH3+])[C@@H](C)c1ccccc1 ZINC000346829503 218026447 /nfs/dbraw/zinc/02/64/47/218026447.db2.gz VGNZAPPFZDVZBE-ZDUSSCGKSA-N 2 1 250.386 2.433 20 0 CEADMP COCC[N@@H+](CC(C)(C)[NH3+])[C@@H](C)c1ccccc1 ZINC000346829503 218026449 /nfs/dbraw/zinc/02/64/49/218026449.db2.gz VGNZAPPFZDVZBE-ZDUSSCGKSA-N 2 1 250.386 2.433 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000453257680 378844555 /nfs/dbraw/zinc/84/45/55/378844555.db2.gz NXOAICZFFALVHO-YESZJQIVSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000453257680 378844558 /nfs/dbraw/zinc/84/45/58/378844558.db2.gz NXOAICZFFALVHO-YESZJQIVSA-N 2 1 281.488 2.427 20 0 CEADMP c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000346856503 218037700 /nfs/dbraw/zinc/03/77/00/218037700.db2.gz PKLIXTQEXMEFFI-GOEBONIOSA-N 2 1 259.397 2.172 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000453321392 378862685 /nfs/dbraw/zinc/86/26/85/378862685.db2.gz PVBLTYBPWNJDDQ-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000453388655 378881944 /nfs/dbraw/zinc/88/19/44/378881944.db2.gz BVMAXPBKVKFKEJ-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](c1ccsc1)[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346961894 218070874 /nfs/dbraw/zinc/07/08/74/218070874.db2.gz GHEFAJXBKSILLU-GJZGRUSLSA-N 2 1 293.480 2.426 20 0 CEADMP CC[N@H+](CCn1cc[nH+]c1C)Cc1ccc2c(c1)OCO2 ZINC000299076329 378892240 /nfs/dbraw/zinc/89/22/40/378892240.db2.gz XLLMLECPUWEVOV-UHFFFAOYSA-N 2 1 287.363 2.442 20 0 CEADMP CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccc2c(c1)OCO2 ZINC000299076329 378892247 /nfs/dbraw/zinc/89/22/47/378892247.db2.gz XLLMLECPUWEVOV-UHFFFAOYSA-N 2 1 287.363 2.442 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453411670 378892858 /nfs/dbraw/zinc/89/28/58/378892858.db2.gz VXROZQMQRMRAMX-OAHLLOKOSA-N 2 1 276.428 2.262 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCC[NH+](C)C1CC1 ZINC000453415224 378896199 /nfs/dbraw/zinc/89/61/99/378896199.db2.gz XGLXIUINXCTQFT-FMKPAKJESA-N 3 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453415224 378896206 /nfs/dbraw/zinc/89/62/06/378896206.db2.gz XGLXIUINXCTQFT-FMKPAKJESA-N 3 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453415224 378896211 /nfs/dbraw/zinc/89/62/11/378896211.db2.gz XGLXIUINXCTQFT-FMKPAKJESA-N 3 1 267.461 2.179 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453415224 378896216 /nfs/dbraw/zinc/89/62/16/378896216.db2.gz XGLXIUINXCTQFT-FMKPAKJESA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453415224 378896220 /nfs/dbraw/zinc/89/62/20/378896220.db2.gz XGLXIUINXCTQFT-FMKPAKJESA-N 2 1 267.461 2.179 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC[NH2+]C2)C12CCC2 ZINC000346974406 218074399 /nfs/dbraw/zinc/07/43/99/218074399.db2.gz LMQOUKAPFKWLMA-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000346998518 218085470 /nfs/dbraw/zinc/08/54/70/218085470.db2.gz DBTLPWKZGZUMAK-OCCSQVGLSA-N 2 1 278.396 2.263 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000346998518 218085472 /nfs/dbraw/zinc/08/54/72/218085472.db2.gz DBTLPWKZGZUMAK-OCCSQVGLSA-N 2 1 278.396 2.263 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)o1 ZINC000453601811 378918482 /nfs/dbraw/zinc/91/84/82/378918482.db2.gz VYNKHCPPNCPYQJ-UHFFFAOYSA-N 2 1 280.368 2.030 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000347039659 218100923 /nfs/dbraw/zinc/10/09/23/218100923.db2.gz JVIVZJLCTALGQF-STQMWFEESA-N 2 1 290.436 2.493 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000347051894 218105808 /nfs/dbraw/zinc/10/58/08/218105808.db2.gz RUZLFVPYIVXJJI-AWEZNQCLSA-N 2 1 284.407 2.426 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000347051894 218105811 /nfs/dbraw/zinc/10/58/11/218105811.db2.gz RUZLFVPYIVXJJI-AWEZNQCLSA-N 2 1 284.407 2.426 20 0 CEADMP COCCOc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000347053441 218106106 /nfs/dbraw/zinc/10/61/06/218106106.db2.gz SEXRNYBNSPDHDZ-GOEBONIOSA-N 2 1 292.423 2.271 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000347112685 218125917 /nfs/dbraw/zinc/12/59/17/218125917.db2.gz ROGONOPAAPNBBL-AWEZNQCLSA-N 2 1 262.397 2.353 20 0 CEADMP C(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CC1CCOCC1 ZINC000347195230 218151267 /nfs/dbraw/zinc/15/12/67/218151267.db2.gz SZYRLLVKMHPCQL-HOTGVXAUSA-N 2 1 266.429 2.410 20 0 CEADMP C[NH+](C)[C@H]1CCCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000278680796 194100294 /nfs/dbraw/zinc/10/02/94/194100294.db2.gz ROFBKFIMTMLWFD-KRWDZBQOSA-N 2 1 275.440 2.144 20 0 CEADMP Cc1ccccc1[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000289460069 197358059 /nfs/dbraw/zinc/35/80/59/197358059.db2.gz GEBGOMNZFYOEBN-SJLPKXTDSA-N 2 1 288.435 2.491 20 0 CEADMP Cc1ccccc1[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000289460069 197358060 /nfs/dbraw/zinc/35/80/60/197358060.db2.gz GEBGOMNZFYOEBN-SJLPKXTDSA-N 2 1 288.435 2.491 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+]C(C2CC2)C2CC2)CCCO1 ZINC000514648538 379135100 /nfs/dbraw/zinc/13/51/00/379135100.db2.gz ZHOQQONXQQLFKI-CYBMUJFWSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C(C2CC2)C2CC2)CCCO1 ZINC000514648538 379135107 /nfs/dbraw/zinc/13/51/07/379135107.db2.gz ZHOQQONXQQLFKI-CYBMUJFWSA-N 2 1 266.429 2.266 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000300424709 379173408 /nfs/dbraw/zinc/17/34/08/379173408.db2.gz ICRVTJLNOFQEEO-ZKXZWOTCSA-N 2 1 266.429 2.405 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H]1C(C)C ZINC000515433493 379219465 /nfs/dbraw/zinc/21/94/65/379219465.db2.gz YJNYTRKPKGXXKH-JYJNAYRXSA-N 2 1 270.461 2.300 20 0 CEADMP CC(C)[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@H]1C(C)C ZINC000515433493 379219473 /nfs/dbraw/zinc/21/94/73/379219473.db2.gz YJNYTRKPKGXXKH-JYJNAYRXSA-N 2 1 270.461 2.300 20 0 CEADMP CC(C)[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@H]1C(C)C ZINC000515433493 379219483 /nfs/dbraw/zinc/21/94/83/379219483.db2.gz YJNYTRKPKGXXKH-JYJNAYRXSA-N 2 1 270.461 2.300 20 0 CEADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc2c(c1)OCCO2 ZINC000516066002 379254014 /nfs/dbraw/zinc/25/40/14/379254014.db2.gz CDZUYDWYAQBUNK-UHFFFAOYSA-N 2 1 290.407 2.279 20 0 CEADMP CN(C)c1cc[nH+]c(N2CCC(CCC[NH+](C)C)CC2)n1 ZINC000301863991 379307462 /nfs/dbraw/zinc/30/74/62/379307462.db2.gz AZBOGSDROKFEJG-UHFFFAOYSA-N 2 1 291.443 2.101 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1nccs1 ZINC000278943164 194224033 /nfs/dbraw/zinc/22/40/33/194224033.db2.gz KJTYVDQPPBHVAO-MNOVXSKESA-N 2 1 262.382 2.253 20 0 CEADMP CCC[C@H]([NH2+]CCn1cc[nH+]c1C)c1nnc2ccccn21 ZINC000347654310 218308174 /nfs/dbraw/zinc/30/81/74/218308174.db2.gz RTYUWCILZUTRJU-AWEZNQCLSA-N 2 1 298.394 2.365 20 0 CEADMP CC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303987679 379504403 /nfs/dbraw/zinc/50/44/03/379504403.db2.gz JJRUKWWYQRBJST-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000521266910 379525485 /nfs/dbraw/zinc/52/54/85/379525485.db2.gz IZEPAFYVNUOIPF-RDJZCZTQSA-N 2 1 278.440 2.170 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000521266910 379525492 /nfs/dbraw/zinc/52/54/92/379525492.db2.gz IZEPAFYVNUOIPF-RDJZCZTQSA-N 2 1 278.440 2.170 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000521266910 379525496 /nfs/dbraw/zinc/52/54/96/379525496.db2.gz IZEPAFYVNUOIPF-RDJZCZTQSA-N 2 1 278.440 2.170 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000521266910 379525503 /nfs/dbraw/zinc/52/55/03/379525503.db2.gz IZEPAFYVNUOIPF-RDJZCZTQSA-N 2 1 278.440 2.170 20 0 CEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)OCC ZINC000527741692 379805807 /nfs/dbraw/zinc/80/58/07/379805807.db2.gz APPJJQSWRBUSNI-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP O[C@H](C[NH2+]Cc1ccc(C(F)F)cc1)C[NH+]1CCCC1 ZINC000527519715 379763349 /nfs/dbraw/zinc/76/33/49/379763349.db2.gz HUQJWEAURPRLJL-CQSZACIVSA-N 2 1 284.350 2.171 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCOC2)[C@H]2CCC[C@H]21 ZINC000527925240 379847497 /nfs/dbraw/zinc/84/74/97/379847497.db2.gz LVRQQGJQRZCPNN-XUWVNRHRSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@]1(C)COc2ccccc2O1 ZINC000527937180 379851431 /nfs/dbraw/zinc/85/14/31/379851431.db2.gz VAMGFSVFACVKPC-CPUCHLNUSA-N 2 1 290.407 2.146 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(C)OC(C)C)[C@H](C)C1 ZINC000528002016 379873400 /nfs/dbraw/zinc/87/34/00/379873400.db2.gz WEMLMTLOMPQFBI-BARDWOONSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@@H]1C[C@H](C)[NH+](CCOCC[N@H+]2C[C@@H](C)C[C@H]2C)C1 ZINC000489289045 380172686 /nfs/dbraw/zinc/17/26/86/380172686.db2.gz JMVIUYIBAWBCDH-SYMSYNOKSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](CCOCC[NH+]2C[C@@H](C)C[C@H]2C)C1 ZINC000489289045 380172691 /nfs/dbraw/zinc/17/26/91/380172691.db2.gz JMVIUYIBAWBCDH-SYMSYNOKSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCOCC[NH+]2C[C@@H](C)C[C@H]2C)C1 ZINC000489289045 380172694 /nfs/dbraw/zinc/17/26/94/380172694.db2.gz JMVIUYIBAWBCDH-SYMSYNOKSA-N 2 1 268.445 2.464 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000536573508 380227613 /nfs/dbraw/zinc/22/76/13/380227613.db2.gz ZFTITFJLPJRBOS-UHFFFAOYSA-N 2 1 285.391 2.487 20 0 CEADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(O)c3)C2)C1 ZINC000334353309 380288858 /nfs/dbraw/zinc/28/88/58/380288858.db2.gz IMPHETPXHAURFC-INIZCTEOSA-N 2 1 260.381 2.310 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(O)c3)C2)C1 ZINC000334353309 380288863 /nfs/dbraw/zinc/28/88/63/380288863.db2.gz IMPHETPXHAURFC-INIZCTEOSA-N 2 1 260.381 2.310 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(O)c3)C2)C1 ZINC000334353309 380288869 /nfs/dbraw/zinc/28/88/69/380288869.db2.gz IMPHETPXHAURFC-INIZCTEOSA-N 2 1 260.381 2.310 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(O)c3)C2)C1 ZINC000334353309 380288875 /nfs/dbraw/zinc/28/88/75/380288875.db2.gz IMPHETPXHAURFC-INIZCTEOSA-N 2 1 260.381 2.310 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000492772871 380684294 /nfs/dbraw/zinc/68/42/94/380684294.db2.gz RNVQENNXNDVKTD-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000492772871 380684299 /nfs/dbraw/zinc/68/42/99/380684299.db2.gz RNVQENNXNDVKTD-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCCNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000492772871 380684302 /nfs/dbraw/zinc/68/43/02/380684302.db2.gz RNVQENNXNDVKTD-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCCNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000492772871 380684308 /nfs/dbraw/zinc/68/43/08/380684308.db2.gz RNVQENNXNDVKTD-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000554561020 380783255 /nfs/dbraw/zinc/78/32/55/380783255.db2.gz MJBZEPYKYFGJBK-QLFBSQMISA-N 2 1 254.418 2.123 20 0 CEADMP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C)n1 ZINC000334784111 207071000 /nfs/dbraw/zinc/07/10/00/207071000.db2.gz FXLFOBMMULFFNS-UHFFFAOYSA-N 2 1 259.397 2.274 20 0 CEADMP CC(C)OC1CC([N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000334790432 207081439 /nfs/dbraw/zinc/08/14/39/207081439.db2.gz YCSLUIILYHUHHJ-LBDPXKHJSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)OC1CC([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000334790432 207081441 /nfs/dbraw/zinc/08/14/41/207081441.db2.gz YCSLUIILYHUHHJ-LBDPXKHJSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)OC1CC([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000334790432 207081444 /nfs/dbraw/zinc/08/14/44/207081444.db2.gz YCSLUIILYHUHHJ-LBDPXKHJSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)OC1CC([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000334790432 207081445 /nfs/dbraw/zinc/08/14/45/207081445.db2.gz YCSLUIILYHUHHJ-LBDPXKHJSA-N 2 1 266.429 2.359 20 0 CEADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000497041810 381240536 /nfs/dbraw/zinc/24/05/36/381240536.db2.gz XHJMSOQGPZYNJM-AWEZNQCLSA-N 2 1 299.459 2.175 20 0 CEADMP C[NH+](CCCNC(=O)OC(C)(C)C)C[C@H]1CCC[N@H+](C)C1 ZINC000497041810 381240540 /nfs/dbraw/zinc/24/05/40/381240540.db2.gz XHJMSOQGPZYNJM-AWEZNQCLSA-N 2 1 299.459 2.175 20 0 CEADMP C[NH+](CCCNC(=O)OC(C)(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC000497041810 381240544 /nfs/dbraw/zinc/24/05/44/381240544.db2.gz XHJMSOQGPZYNJM-AWEZNQCLSA-N 2 1 299.459 2.175 20 0 CEADMP Cc1occc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334860232 207201493 /nfs/dbraw/zinc/20/14/93/207201493.db2.gz SSCNIDVYYOFCGY-PBHICJAKSA-N 2 1 291.439 2.046 20 0 CEADMP Cc1occc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334860232 207201494 /nfs/dbraw/zinc/20/14/94/207201494.db2.gz SSCNIDVYYOFCGY-PBHICJAKSA-N 2 1 291.439 2.046 20 0 CEADMP COCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328604147 285000471 /nfs/dbraw/zinc/00/04/71/285000471.db2.gz IPXRRDXNMJSSHC-CQSZACIVSA-N 2 1 280.437 2.339 20 0 CEADMP Cc1cc(C)cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000335252216 208031635 /nfs/dbraw/zinc/03/16/35/208031635.db2.gz DPTAMTWFTCKMOR-QGZVFWFLSA-N 2 1 288.435 2.491 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000289182963 197256559 /nfs/dbraw/zinc/25/65/59/197256559.db2.gz APFADHLRIROWQU-FHLIZLRMSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000289182963 197256560 /nfs/dbraw/zinc/25/65/60/197256560.db2.gz APFADHLRIROWQU-FHLIZLRMSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000289182966 197255537 /nfs/dbraw/zinc/25/55/37/197255537.db2.gz APFADHLRIROWQU-JLSDUUJJSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000289182966 197255538 /nfs/dbraw/zinc/25/55/38/197255538.db2.gz APFADHLRIROWQU-JLSDUUJJSA-N 2 1 288.435 2.400 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CC[NH2+]C(C)(C)C)[C@H](C)C1 ZINC000414694847 285370416 /nfs/dbraw/zinc/37/04/16/285370416.db2.gz GFTOODMTKAVUOS-ZIAGYGMSSA-N 2 1 255.450 2.037 20 0 CEADMP O[C@H]1c2ccccc2C[C@@H]1[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182793250 285372612 /nfs/dbraw/zinc/37/26/12/285372612.db2.gz OWBBYAHKQRUZHR-JLSDUUJJSA-N 2 1 286.419 2.062 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)[C@@H]2CCCN(C(C)C)C2=O)[C@H](C)C1 ZINC000179302480 285398416 /nfs/dbraw/zinc/39/84/16/285398416.db2.gz FCUQDKRJMIHLAQ-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)[C@@H]2CCCN(C(C)C)C2=O)[C@H](C)C1 ZINC000179302480 285398418 /nfs/dbraw/zinc/39/84/18/285398418.db2.gz FCUQDKRJMIHLAQ-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(C)C)C2=O)[C@H](C)C1 ZINC000179302480 285398420 /nfs/dbraw/zinc/39/84/20/285398420.db2.gz FCUQDKRJMIHLAQ-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@@H]2CCCN(C(C)C)C2=O)[C@H](C)C1 ZINC000179302480 285398422 /nfs/dbraw/zinc/39/84/22/285398422.db2.gz FCUQDKRJMIHLAQ-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417398126 533548968 /nfs/dbraw/zinc/54/89/68/533548968.db2.gz HHNOILGXHOGVQJ-DDBAPUKQSA-N 2 1 288.435 2.400 20 0 CEADMP COc1cccc(F)c1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000401851070 533568550 /nfs/dbraw/zinc/56/85/50/533568550.db2.gz SQBNCGQBGOLAKL-LLVKDONJSA-N 2 1 277.343 2.461 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC[N@@H+]1C ZINC000156583913 533657926 /nfs/dbraw/zinc/65/79/26/533657926.db2.gz XCBRBQVYMSTAAU-FRRDWIJNSA-N 2 1 254.418 2.405 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC[N@H+]1C ZINC000156583913 533657934 /nfs/dbraw/zinc/65/79/34/533657934.db2.gz XCBRBQVYMSTAAU-FRRDWIJNSA-N 2 1 254.418 2.405 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000299990250 394453027 /nfs/dbraw/zinc/45/30/27/394453027.db2.gz KVPOTZBFICPHBV-MELADBBJSA-N 2 1 252.402 2.147 20 0 CEADMP Cc1cncc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000299931875 394453111 /nfs/dbraw/zinc/45/31/11/394453111.db2.gz NWWLAZWELUASKA-HZPDHXFCSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cncc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000299931875 394453115 /nfs/dbraw/zinc/45/31/15/394453115.db2.gz NWWLAZWELUASKA-HZPDHXFCSA-N 2 1 259.397 2.354 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](C)C2)CC1 ZINC000355581003 394466789 /nfs/dbraw/zinc/46/67/89/394466789.db2.gz IXRWYZDIVIPDBM-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP C1CC2(C1)C[C@@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CCO2 ZINC000250818404 394564942 /nfs/dbraw/zinc/56/49/42/394564942.db2.gz FSGYRDRKQQOHEF-SOUVJXGZSA-N 2 1 264.413 2.305 20 0 CEADMP C1CC2(C1)C[C@@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CCO2 ZINC000250818404 394564944 /nfs/dbraw/zinc/56/49/44/394564944.db2.gz FSGYRDRKQQOHEF-SOUVJXGZSA-N 2 1 264.413 2.305 20 0 CEADMP CCOC(=O)N1CCC([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000071376908 394588783 /nfs/dbraw/zinc/58/87/83/394588783.db2.gz NFJPSHAUQQFKFG-UHFFFAOYSA-N 2 1 297.443 2.071 20 0 CEADMP CCOC(=O)N1CCC([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000071376908 394588785 /nfs/dbraw/zinc/58/87/85/394588785.db2.gz NFJPSHAUQQFKFG-UHFFFAOYSA-N 2 1 297.443 2.071 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CCCc1cnn(C)c1 ZINC000313955205 394543763 /nfs/dbraw/zinc/54/37/63/394543763.db2.gz HMJAIVJWRAZTQW-HNNXBMFYSA-N 2 1 278.444 2.207 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccnn1C ZINC000248848262 394548231 /nfs/dbraw/zinc/54/82/31/394548231.db2.gz BFALTZCBVIRZFJ-ZIAGYGMSSA-N 2 1 264.417 2.335 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccnn1C ZINC000248848262 394548234 /nfs/dbraw/zinc/54/82/34/394548234.db2.gz BFALTZCBVIRZFJ-ZIAGYGMSSA-N 2 1 264.417 2.335 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413936118 394661126 /nfs/dbraw/zinc/66/11/26/394661126.db2.gz FSJJFIXCXIIBCA-DGCLKSJQSA-N 2 1 293.386 2.024 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000257723676 394597249 /nfs/dbraw/zinc/59/72/49/394597249.db2.gz VZXGWSHTPVVLFM-CQSZACIVSA-N 2 1 265.426 2.335 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000257723676 394597255 /nfs/dbraw/zinc/59/72/55/394597255.db2.gz VZXGWSHTPVVLFM-CQSZACIVSA-N 2 1 265.426 2.335 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2(OC)CCCC2)C1 ZINC000421821457 394605518 /nfs/dbraw/zinc/60/55/18/394605518.db2.gz RMLRVFOGZVFALC-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP COC1([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CCCC1 ZINC000421850165 394615778 /nfs/dbraw/zinc/61/57/78/394615778.db2.gz CZQVZUZLLAMBSQ-JKSUJKDBSA-N 2 1 298.471 2.425 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3c[nH]nc32)CC[N@@H+]1C ZINC000093644188 394668155 /nfs/dbraw/zinc/66/81/55/394668155.db2.gz YBWGDLRKCKPMGO-SWLSCSKDSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3c[nH]nc32)CC[N@H+]1C ZINC000093644188 394668159 /nfs/dbraw/zinc/66/81/59/394668159.db2.gz YBWGDLRKCKPMGO-SWLSCSKDSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc3c[nH]nc32)CC[NH+]1C ZINC000093644188 394668162 /nfs/dbraw/zinc/66/81/62/394668162.db2.gz YBWGDLRKCKPMGO-SWLSCSKDSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3c[nH]nc32)CC[NH+]1C ZINC000093644188 394668166 /nfs/dbraw/zinc/66/81/66/394668166.db2.gz YBWGDLRKCKPMGO-SWLSCSKDSA-N 2 1 272.396 2.477 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C[C@@H]1C ZINC000356849687 394631457 /nfs/dbraw/zinc/63/14/57/394631457.db2.gz VIENXVGPIHBCKE-ZNMIVQPWSA-N 2 1 297.487 2.484 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CCN4CCC4)[C@H]3C2)cc1 ZINC000356911338 394650331 /nfs/dbraw/zinc/65/03/31/394650331.db2.gz ZMVWNINEDOGRRN-GBESFXJTSA-N 2 1 299.462 2.192 20 0 CEADMP CC(C)(CN[C@@H]1CCC[C@@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422709084 394731716 /nfs/dbraw/zinc/73/17/16/394731716.db2.gz YQOVYSRCTMQMCK-DLBZAZTESA-N 2 1 287.451 2.293 20 0 CEADMP CC(C)(CN[C@@H]1CCC[C@@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422709084 394731721 /nfs/dbraw/zinc/73/17/21/394731721.db2.gz YQOVYSRCTMQMCK-DLBZAZTESA-N 2 1 287.451 2.293 20 0 CEADMP N[C@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422710563 394733102 /nfs/dbraw/zinc/73/31/02/394733102.db2.gz GBTRMBFMGIIVNV-LSDHHAIUSA-N 2 1 253.434 2.112 20 0 CEADMP C[C@@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422712503 394733706 /nfs/dbraw/zinc/73/37/06/394733706.db2.gz OLBMKTPUYOWRKC-APIJFGDWSA-N 2 1 254.418 2.312 20 0 CEADMP CC[N@@H+](C)CCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422721425 394740528 /nfs/dbraw/zinc/74/05/28/394740528.db2.gz VJYOHMGNPSEMGW-HOTGVXAUSA-N 2 1 261.413 2.021 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)C2CCC2)CC1 ZINC000357034646 394687658 /nfs/dbraw/zinc/68/76/58/394687658.db2.gz IPDLHKGCXVLGHO-AWEZNQCLSA-N 2 1 295.471 2.096 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@H+](C)[C@H](C)[C@H]2C)c1C ZINC000357042318 394689891 /nfs/dbraw/zinc/68/98/91/394689891.db2.gz SHGVDUUAAXAPAX-ZIAGYGMSSA-N 2 1 277.412 2.231 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)c1C ZINC000357042318 394689895 /nfs/dbraw/zinc/68/98/95/394689895.db2.gz SHGVDUUAAXAPAX-ZIAGYGMSSA-N 2 1 277.412 2.231 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000414064398 394691670 /nfs/dbraw/zinc/69/16/70/394691670.db2.gz FRMFNNVCEVSBPL-IMJJTQAJSA-N 2 1 289.423 2.238 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cn1 ZINC000414064398 394691673 /nfs/dbraw/zinc/69/16/73/394691673.db2.gz FRMFNNVCEVSBPL-IMJJTQAJSA-N 2 1 289.423 2.238 20 0 CEADMP CC1CCC([N@@H+](CCOCC[NH3+])C[C@H]2CCCO2)CC1 ZINC000357066072 394694571 /nfs/dbraw/zinc/69/45/71/394694571.db2.gz BNJGCUFRBHACON-UYSNPLJNSA-N 2 1 284.444 2.021 20 0 CEADMP C[C@H]1C[C@H](C(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000357094825 394695396 /nfs/dbraw/zinc/69/53/96/394695396.db2.gz NKDLJUCXLLSOSK-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)c1c[nH+]ccc1N ZINC000422733340 394746363 /nfs/dbraw/zinc/74/63/63/394746363.db2.gz QUQCVBIDYCYISZ-UONOGXRCSA-N 2 1 276.428 2.409 20 0 CEADMP C[NH+](C)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])c1cccc(F)c1 ZINC000422733712 394746418 /nfs/dbraw/zinc/74/64/18/394746418.db2.gz RJGUVVYNTMQJAD-VNQPRFMTSA-N 2 1 279.403 2.145 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[C@H]1C ZINC000414110183 394705347 /nfs/dbraw/zinc/70/53/47/394705347.db2.gz HXIPHGLISQIRRP-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422732171 394746594 /nfs/dbraw/zinc/74/65/94/394746594.db2.gz PJICUKJBHFXECA-ZDUSSCGKSA-N 3 1 278.444 2.231 20 0 CEADMP C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1=CC[N@@H+](C)CC1 ZINC000358128565 394710114 /nfs/dbraw/zinc/71/01/14/394710114.db2.gz QKEWKXBGVQQVQU-CABCVRRESA-N 2 1 293.455 2.018 20 0 CEADMP CC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H]1C[C@@H]1C ZINC000414129869 394711387 /nfs/dbraw/zinc/71/13/87/394711387.db2.gz VPDHKCGAXLRHQT-MJBXVCDLSA-N 2 1 254.418 2.121 20 0 CEADMP COC(=O)c1coc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414168360 394721192 /nfs/dbraw/zinc/72/11/92/394721192.db2.gz AEPQTMTVOGYXJX-QWHCGFSZSA-N 2 1 294.395 2.449 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2COc3ccccc3O2)CC[NH2+]1 ZINC000414676866 394747950 /nfs/dbraw/zinc/74/79/50/394747950.db2.gz IAARFUXALGGKNO-RBSFLKMASA-N 2 1 290.407 2.146 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414173609 394722162 /nfs/dbraw/zinc/72/21/62/394722162.db2.gz FYOFDZILIFNZOF-UONOGXRCSA-N 2 1 264.417 2.286 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000414172335 394722503 /nfs/dbraw/zinc/72/25/03/394722503.db2.gz DWVYZPPXACNYPF-ZJIFWQFVSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc2n(n1)CCC2 ZINC000414191874 394726641 /nfs/dbraw/zinc/72/66/41/394726641.db2.gz SBEGMCFNFQXIEI-KGLIPLIRSA-N 2 1 276.428 2.212 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414691611 394748297 /nfs/dbraw/zinc/74/82/97/394748297.db2.gz JWMGBSZRSJWLEQ-OWCLPIDISA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H](NCC[N@@H+](C)C1CCCCC1)c1c[nH+]ccc1N ZINC000422702978 394727602 /nfs/dbraw/zinc/72/76/02/394727602.db2.gz LZONHKABVXVTGO-CYBMUJFWSA-N 2 1 276.428 2.409 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000422704049 394728759 /nfs/dbraw/zinc/72/87/59/394728759.db2.gz OLFOOKWYRCJDBF-YUELXQCFSA-N 2 1 254.418 2.048 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422736059 394748374 /nfs/dbraw/zinc/74/83/74/394748374.db2.gz VRWUMKWVVHCZRI-XHSDSOJGSA-N 2 1 267.461 2.229 20 0 CEADMP CC[C@@H]1CCCCN1CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422736059 394748377 /nfs/dbraw/zinc/74/83/77/394748377.db2.gz VRWUMKWVVHCZRI-XHSDSOJGSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000414819449 394752284 /nfs/dbraw/zinc/75/22/84/394752284.db2.gz HQCYEXJTMIFJAL-DZJNRPSUSA-N 2 1 287.451 2.457 20 0 CEADMP CC[C@H]([NH2+]Cc1cccc(-n2ccnc2)c1)[C@@H]1CCC[NH2+]1 ZINC000422741908 394752425 /nfs/dbraw/zinc/75/24/25/394752425.db2.gz FOXQURYBJCBCKR-IRXDYDNUSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@H]([NH3+])CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000414826413 394756163 /nfs/dbraw/zinc/75/61/63/394756163.db2.gz VVGFIUMBGNLVJQ-IJEWVQPXSA-N 3 1 267.461 2.356 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422746972 394756508 /nfs/dbraw/zinc/75/65/08/394756508.db2.gz XUJVBNRKVWUCGL-HWOWSKLDSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422753200 394759696 /nfs/dbraw/zinc/75/96/96/394759696.db2.gz FUGLDGJMWWNAEI-BZUAXINKSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422753200 394759700 /nfs/dbraw/zinc/75/97/00/394759700.db2.gz FUGLDGJMWWNAEI-BZUAXINKSA-N 2 1 281.488 2.475 20 0 CEADMP Cc1nc2ccccc2n1CCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422753231 394760124 /nfs/dbraw/zinc/76/01/24/394760124.db2.gz IETVIBZGHFVLQC-BBRMVZONSA-N 2 1 286.423 2.322 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCN(c2ccccn2)CC1 ZINC000414835183 394761043 /nfs/dbraw/zinc/76/10/43/394761043.db2.gz HGZRLYFWXJHBFP-HNNXBMFYSA-N 2 1 276.428 2.013 20 0 CEADMP CC[C@H]([NH2+]CCOc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000422757010 394763116 /nfs/dbraw/zinc/76/31/16/394763116.db2.gz MIDWPRHKROLJMC-KBPBESRZSA-N 2 1 266.360 2.325 20 0 CEADMP C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422761588 394765046 /nfs/dbraw/zinc/76/50/46/394765046.db2.gz MYLXDRYAHQTFFP-QRTARXTBSA-N 2 1 294.414 2.097 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc3c[nH]nc3c2)CCCCC1 ZINC000414846498 394767904 /nfs/dbraw/zinc/76/79/04/394767904.db2.gz SSSGSXXFVOANOV-UHFFFAOYSA-N 2 1 258.369 2.314 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414847992 394768367 /nfs/dbraw/zinc/76/83/67/394768367.db2.gz VNZLMTJKCSRGHU-UHFFFAOYSA-N 2 1 278.444 2.296 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000414849720 394768748 /nfs/dbraw/zinc/76/87/48/394768748.db2.gz YIRHJJZEADZCAL-JTQLQIEISA-N 2 1 253.415 2.356 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000422766887 394769966 /nfs/dbraw/zinc/76/99/66/394769966.db2.gz QJNYTEUCFRYUNY-BXUZGUMPSA-N 2 1 252.789 2.470 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000422773275 394774587 /nfs/dbraw/zinc/77/45/87/394774587.db2.gz ZQFRHSHNUXSCPC-RBSFLKMASA-N 3 1 255.450 2.214 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000422773275 394774593 /nfs/dbraw/zinc/77/45/93/394774593.db2.gz ZQFRHSHNUXSCPC-RBSFLKMASA-N 3 1 255.450 2.214 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414860216 394775154 /nfs/dbraw/zinc/77/51/54/394775154.db2.gz OVTYXLSPAKVBPC-UHFFFAOYSA-N 2 1 252.305 2.466 20 0 CEADMP [NH3+]CC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000335565103 394775499 /nfs/dbraw/zinc/77/54/99/394775499.db2.gz NZIBENAGPJDXLV-GFCCVEGCSA-N 2 1 269.186 2.375 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)Oc1ccc(F)cc1 ZINC000422779524 394778699 /nfs/dbraw/zinc/77/86/99/394778699.db2.gz BWOOZUOAXKTFFA-SLEUVZQESA-N 2 1 266.360 2.323 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000273081037 394782246 /nfs/dbraw/zinc/78/22/46/394782246.db2.gz HLADZKOZFALVCY-AWEZNQCLSA-N 2 1 279.771 2.168 20 0 CEADMP C[C@H](NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422784588 394782769 /nfs/dbraw/zinc/78/27/69/394782769.db2.gz PXAWVSTZJNQFCB-MAUKXSAKSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)C1C[NH2+]C1 ZINC000422784588 394782775 /nfs/dbraw/zinc/78/27/75/394782775.db2.gz PXAWVSTZJNQFCB-MAUKXSAKSA-N 2 1 287.451 2.239 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1ccc(OCc2ccncc2)cc1)C1CC1 ZINC000414886035 394787676 /nfs/dbraw/zinc/78/76/76/394787676.db2.gz CFDFKILZQFKFOM-SFHVURJKSA-N 2 1 297.402 2.488 20 0 CEADMP [NH3+][C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000414887870 394789101 /nfs/dbraw/zinc/78/91/01/394789101.db2.gz JEYXNOSOSQDGSD-FCGDIQPGSA-N 2 1 299.462 2.224 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H](C)C[NH3+])c(Cl)c1OC ZINC000414887742 394789641 /nfs/dbraw/zinc/78/96/41/394789641.db2.gz ZJMLYPBFHSTABP-VIFPVBQESA-N 2 1 272.776 2.042 20 0 CEADMP CC[C@H](N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422791823 394789636 /nfs/dbraw/zinc/78/96/36/394789636.db2.gz DGRXTXROGBKEJA-ULQDDVLXSA-N 2 1 279.472 2.371 20 0 CEADMP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1OC(F)F ZINC000414889703 394790623 /nfs/dbraw/zinc/79/06/23/394790623.db2.gz GMORDETUCXUEHS-NSHDSACASA-N 2 1 286.322 2.124 20 0 CEADMP COc1cccc(O[C@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422796913 394793630 /nfs/dbraw/zinc/79/36/30/394793630.db2.gz ZJEJNURMDWEPQT-WWGRRREGSA-N 2 1 278.396 2.193 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000360233635 394794115 /nfs/dbraw/zinc/79/41/15/394794115.db2.gz IVCYMSJGBOTTGH-HOTGVXAUSA-N 2 1 280.387 2.323 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1cccc(OCc2ccccn2)c1)C1CC1 ZINC000414897571 394794773 /nfs/dbraw/zinc/79/47/73/394794773.db2.gz RQEMVDWTSZYJOO-GOSISDBHSA-N 2 1 297.402 2.488 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422801205 394796754 /nfs/dbraw/zinc/79/67/54/394796754.db2.gz FAWAUPYYJMYMLP-CVEARBPZSA-N 2 1 275.396 2.395 20 0 CEADMP CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422801075 394796932 /nfs/dbraw/zinc/79/69/32/394796932.db2.gz BCHMUGRIXKIUEK-QWHCGFSZSA-N 2 1 265.401 2.189 20 0 CEADMP CC[C@H](NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422802329 394797877 /nfs/dbraw/zinc/79/78/77/394797877.db2.gz HHVBYSFZXBVMGK-KKUMJFAQSA-N 2 1 281.469 2.471 20 0 CEADMP CC[C@@H](NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422802330 394798148 /nfs/dbraw/zinc/79/81/48/394798148.db2.gz HHVBYSFZXBVMGK-QLFBSQMISA-N 2 1 281.469 2.471 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000414957797 394824854 /nfs/dbraw/zinc/82/48/54/394824854.db2.gz OSOMNEQODCHNDV-DOMZBBRYSA-N 2 1 270.380 2.164 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH2+]C)cc1)C1CC1 ZINC000121547905 394799243 /nfs/dbraw/zinc/79/92/43/394799243.db2.gz HFNWGHZASORHAQ-UHFFFAOYSA-N 2 1 289.423 2.010 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2csc(C3CC3)n2)C1 ZINC000414911092 394800393 /nfs/dbraw/zinc/80/03/93/394800393.db2.gz DJTYSWRBZIVFBN-WDEREUQCSA-N 2 1 251.399 2.380 20 0 CEADMP Brc1cncc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414912060 394800857 /nfs/dbraw/zinc/80/08/57/394800857.db2.gz XREWXMAQEWDVLZ-GFCCVEGCSA-N 2 1 284.201 2.076 20 0 CEADMP O=c1[nH]c2ccccc2cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414910995 394801140 /nfs/dbraw/zinc/80/11/40/394801140.db2.gz WAPQWFXUZUDMLS-CQSZACIVSA-N 2 1 271.364 2.172 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000414957799 394825188 /nfs/dbraw/zinc/82/51/88/394825188.db2.gz OSOMNEQODCHNDV-SWLSCSKDSA-N 2 1 270.380 2.164 20 0 CEADMP CCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000414927831 394807135 /nfs/dbraw/zinc/80/71/35/394807135.db2.gz ACEPJZGOSXHNCF-YPMHNXCESA-N 2 1 266.360 2.455 20 0 CEADMP C[C@@H]1C[C@@H](NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000414930469 394808841 /nfs/dbraw/zinc/80/88/41/394808841.db2.gz PBIZIIWXECYKBC-HIFRSBDPSA-N 2 1 297.393 2.223 20 0 CEADMP C[C@@H]1C[C@@H](NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000414930469 394808843 /nfs/dbraw/zinc/80/88/43/394808843.db2.gz PBIZIIWXECYKBC-HIFRSBDPSA-N 2 1 297.393 2.223 20 0 CEADMP C[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)[C@H]1CCC[NH2+]1 ZINC000422820781 394811744 /nfs/dbraw/zinc/81/17/44/394811744.db2.gz SFHOKWOCMJKVQN-RHSMWYFYSA-N 2 1 284.407 2.145 20 0 CEADMP C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1c[nH+]ccc1N ZINC000422823104 394812515 /nfs/dbraw/zinc/81/25/15/394812515.db2.gz LDPFQHXZBPNGEZ-GLQYFDAESA-N 2 1 263.385 2.086 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2ccc(F)cc2)CC[NH2+]1 ZINC000414940475 394813241 /nfs/dbraw/zinc/81/32/41/394813241.db2.gz BOCINLPMCPFOPA-JSGCOSHPSA-N 2 1 288.370 2.242 20 0 CEADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414942575 394814518 /nfs/dbraw/zinc/81/45/18/394814518.db2.gz ZUGYDGHLSYZSSM-GZBFAFLISA-N 2 1 290.407 2.324 20 0 CEADMP CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000422847278 394826383 /nfs/dbraw/zinc/82/63/83/394826383.db2.gz RBWKKLKGAVWCIB-QWHCGFSZSA-N 2 1 264.369 2.063 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccncc3)s2)CC[NH2+]1 ZINC000414948513 394817746 /nfs/dbraw/zinc/81/77/46/394817746.db2.gz MFPZKAFGOKRWJV-AAEUAGOBSA-N 2 1 288.420 2.435 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[NH2+]1 ZINC000414949149 394819663 /nfs/dbraw/zinc/81/96/63/394819663.db2.gz NCJOKLRNXZIRKT-PWSUYJOCSA-N 2 1 296.798 2.341 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000359375534 394749890 /nfs/dbraw/zinc/74/98/90/394749890.db2.gz GXXMINLUBSMUNT-OWCLPIDISA-N 2 1 291.439 2.346 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422738677 394749887 /nfs/dbraw/zinc/74/98/87/394749887.db2.gz KCMILRKGLBHBQD-OAGGEKHMSA-N 2 1 267.461 2.371 20 0 CEADMP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414952528 394821965 /nfs/dbraw/zinc/82/19/65/394821965.db2.gz QWTNFFISEBAUNC-GXTWGEPZSA-N 2 1 278.396 2.324 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000336558931 394864899 /nfs/dbraw/zinc/86/48/99/394864899.db2.gz AUFBXUQTUNDETG-HZPDHXFCSA-N 2 1 277.456 2.195 20 0 CEADMP COc1cccc2c1CC[C@H]([N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)C2 ZINC000415056332 394867026 /nfs/dbraw/zinc/86/70/26/394867026.db2.gz NXWGLEXYJSJXKL-QIIPPGSGSA-N 2 1 288.435 2.469 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000423028354 394884967 /nfs/dbraw/zinc/88/49/67/394884967.db2.gz GEEHBKBSJQTTMO-WFASDCNBSA-N 2 1 265.376 2.215 20 0 CEADMP COCCOc1cccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000415061770 394869897 /nfs/dbraw/zinc/86/98/97/394869897.db2.gz DIHPKQPIHMCDLY-KRWDZBQOSA-N 2 1 292.423 2.319 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cn1 ZINC000415063970 394871056 /nfs/dbraw/zinc/87/10/56/394871056.db2.gz JKRLWGNCMSCZLH-OAHLLOKOSA-N 2 1 276.428 2.145 20 0 CEADMP Oc1cccc2c1CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422983491 394873102 /nfs/dbraw/zinc/87/31/02/394873102.db2.gz ZRZHMRCHSAIWDE-OUEWMDHJSA-N 2 1 258.365 2.252 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422990837 394876278 /nfs/dbraw/zinc/87/62/78/394876278.db2.gz ABIIJFBZRSKBTA-AQFXKWCLSA-N 3 1 281.488 2.462 20 0 CEADMP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H](C)C2C[NH2+]C2)c(C)c1 ZINC000423008258 394878468 /nfs/dbraw/zinc/87/84/68/394878468.db2.gz ZPKHTMFJDQNIFK-YJBOKZPZSA-N 2 1 298.434 2.439 20 0 CEADMP COc1cc(F)c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000415081881 394880600 /nfs/dbraw/zinc/88/06/00/394880600.db2.gz COLNYDBNLYTKTD-NWDGAFQWSA-N 2 1 296.386 2.493 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414962818 394826983 /nfs/dbraw/zinc/82/69/83/394826983.db2.gz ZZZSJCIZSHGPGF-CZUORRHYSA-N 2 1 284.407 2.411 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000414964291 394828491 /nfs/dbraw/zinc/82/84/91/394828491.db2.gz USPSRHBRZOQDLE-GXFFZTMASA-N 2 1 296.798 2.199 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422852483 394829969 /nfs/dbraw/zinc/82/99/69/394829969.db2.gz AVPWCLLKMWGEGU-KFWWJZLASA-N 3 1 255.450 2.214 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000422852483 394829977 /nfs/dbraw/zinc/82/99/77/394829977.db2.gz AVPWCLLKMWGEGU-KFWWJZLASA-N 3 1 255.450 2.214 20 0 CEADMP CCN(CC)c1ncc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)s1 ZINC000414968911 394830544 /nfs/dbraw/zinc/83/05/44/394830544.db2.gz YRLKRACLQKQSMB-DGCLKSJQSA-N 2 1 282.457 2.077 20 0 CEADMP C[NH2+][C@H](C)CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000414970253 394831708 /nfs/dbraw/zinc/83/17/08/394831708.db2.gz HDEJLVSDXFEYPZ-BZZMCLGOSA-N 2 1 287.451 2.095 20 0 CEADMP CCC(C)(C)C1CCC([NH2+]C[C@@H]2C[NH2+]CCN2C)CC1 ZINC000414976840 394833335 /nfs/dbraw/zinc/83/33/35/394833335.db2.gz OSRMORWWDRDUCS-GPANFISMSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@@H](C[NH2+]C[C@H]1C[NH2+]CCN1C)CC1CCCCC1 ZINC000414979637 394834608 /nfs/dbraw/zinc/83/46/08/394834608.db2.gz UWIVXFXAFQEEEF-GDBMZVCRSA-N 2 1 267.461 2.086 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1cccc(C)c1 ZINC000414979793 394834758 /nfs/dbraw/zinc/83/47/58/394834758.db2.gz OOBBOXGGMIDARY-AWEZNQCLSA-N 2 1 258.369 2.212 20 0 CEADMP C[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@H+]1CCCC[C@@H]1C ZINC000422862325 394835843 /nfs/dbraw/zinc/83/58/43/394835843.db2.gz NNTNPIIBIHTXRV-FZKCQIBNSA-N 2 1 267.461 2.370 20 0 CEADMP COc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1OC(F)F ZINC000415001411 394843055 /nfs/dbraw/zinc/84/30/55/394843055.db2.gz CEUHMRMWQURDJC-DTWKUNHWSA-N 2 1 274.311 2.122 20 0 CEADMP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422880228 394847123 /nfs/dbraw/zinc/84/71/23/394847123.db2.gz WOGCIROAKJLWEP-ILXRZTDVSA-N 2 1 289.423 2.004 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000415008944 394847395 /nfs/dbraw/zinc/84/73/95/394847395.db2.gz NLQSTJGGIYHUOJ-NXEZZACHSA-N 2 1 258.312 2.156 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000422885008 394848814 /nfs/dbraw/zinc/84/88/14/394848814.db2.gz SYRNGBYNBHZTBU-KKUMJFAQSA-N 3 1 255.450 2.214 20 0 CEADMP C[C@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422884394 394848850 /nfs/dbraw/zinc/84/88/50/394848850.db2.gz SDAPRJAQLOYHNZ-VVLHAWIVSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422885009 394848922 /nfs/dbraw/zinc/84/89/22/394848922.db2.gz SYRNGBYNBHZTBU-QLFBSQMISA-N 3 1 255.450 2.214 20 0 CEADMP c1sc2ccccc2c1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415034900 394856901 /nfs/dbraw/zinc/85/69/01/394856901.db2.gz IKVQUANYSOICML-CYBMUJFWSA-N 2 1 276.405 2.369 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000422912899 394860371 /nfs/dbraw/zinc/86/03/71/394860371.db2.gz XGWFUOPPXKVDKM-WFASDCNBSA-N 2 1 250.361 2.346 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)ccc1Cl ZINC000415041411 394860415 /nfs/dbraw/zinc/86/04/15/394860415.db2.gz PFJVCHPPZQEBHF-CYBMUJFWSA-N 2 1 268.788 2.117 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422913423 394860569 /nfs/dbraw/zinc/86/05/69/394860569.db2.gz QBOJABQYSLCBJJ-IAGOWNOFSA-N 2 1 275.440 2.496 20 0 CEADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422913423 394860573 /nfs/dbraw/zinc/86/05/73/394860573.db2.gz QBOJABQYSLCBJJ-IAGOWNOFSA-N 3 1 275.440 2.496 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422913423 394860575 /nfs/dbraw/zinc/86/05/75/394860575.db2.gz QBOJABQYSLCBJJ-IAGOWNOFSA-N 3 1 275.440 2.496 20 0 CEADMP CCOCCC1(C[NH2+][C@H]2CCC[NH2+]C2)CCCC1 ZINC000415092958 394887023 /nfs/dbraw/zinc/88/70/23/394887023.db2.gz UMIVRMQLGHTSTN-AWEZNQCLSA-N 2 1 254.418 2.315 20 0 CEADMP C[NH2+]CCCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423208598 394888368 /nfs/dbraw/zinc/88/83/68/394888368.db2.gz ZKAHKZYFLWTGIN-JKSUJKDBSA-N 2 1 261.413 2.021 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1C ZINC000415101301 394890378 /nfs/dbraw/zinc/89/03/78/394890378.db2.gz AZAJTYJIMGISOW-QGZVFWFLSA-N 2 1 299.422 2.191 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000423338671 394890802 /nfs/dbraw/zinc/89/08/02/394890802.db2.gz UTBIUTDVEQPZFP-PMPSAXMXSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)COc1cccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000415105483 394891324 /nfs/dbraw/zinc/89/13/24/394891324.db2.gz ICYCWVZDHSSIFF-QGZVFWFLSA-N 2 1 292.423 2.271 20 0 CEADMP CC(C)COc1cccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000415105483 394891326 /nfs/dbraw/zinc/89/13/26/394891326.db2.gz ICYCWVZDHSSIFF-QGZVFWFLSA-N 2 1 292.423 2.271 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]3CC[NH2+]C3)c2C1 ZINC000130609773 394892290 /nfs/dbraw/zinc/89/22/90/394892290.db2.gz XJWHFUHVWKMEIJ-ZDUSSCGKSA-N 2 1 287.407 2.350 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H]3CC[NH2+]C3)c2C1 ZINC000130609773 394892293 /nfs/dbraw/zinc/89/22/93/394892293.db2.gz XJWHFUHVWKMEIJ-ZDUSSCGKSA-N 2 1 287.407 2.350 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)cc1N(C)C ZINC000423341254 394892464 /nfs/dbraw/zinc/89/24/64/394892464.db2.gz XXAUHFHSGDXHRV-LLVKDONJSA-N 2 1 265.376 2.424 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)cn1 ZINC000423363868 394901036 /nfs/dbraw/zinc/90/10/36/394901036.db2.gz CAMMXYIOMGGDQX-JFGNBEQYSA-N 2 1 253.777 2.384 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C12CCCC2 ZINC000423361357 394901424 /nfs/dbraw/zinc/90/14/24/394901424.db2.gz RTQFTTGYHFJCTM-MCIONIFRSA-N 2 1 252.402 2.066 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C[C@H]1C[NH3+] ZINC000415138714 394902776 /nfs/dbraw/zinc/90/27/76/394902776.db2.gz ZBMALNHSQYZFEX-QWHCGFSZSA-N 2 1 290.436 2.351 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000423367197 394903804 /nfs/dbraw/zinc/90/38/04/394903804.db2.gz DEWUHUHHSMXCPG-YRGRVCCFSA-N 2 1 250.390 2.255 20 0 CEADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(OC)c(OC)c1 ZINC000423369283 394905085 /nfs/dbraw/zinc/90/50/85/394905085.db2.gz OBDOUFAORZPGIO-JQWIXIFHSA-N 2 1 252.358 2.092 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000364476426 394908038 /nfs/dbraw/zinc/90/80/38/394908038.db2.gz DRDNRRHZYGPIMI-JKSUJKDBSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000423378242 394908352 /nfs/dbraw/zinc/90/83/52/394908352.db2.gz WILQCQDXJMVHSY-QPUJVOFHSA-N 2 1 269.186 2.373 20 0 CEADMP C[C@@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423385647 394909294 /nfs/dbraw/zinc/90/92/94/394909294.db2.gz GUKFZHWANFQSAB-OWLYRPNTSA-N 2 1 287.451 2.366 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@H]2CCC[C@H]21 ZINC000423386603 394909310 /nfs/dbraw/zinc/90/93/10/394909310.db2.gz LZXIIINIDLMBHC-FGTMMUONSA-N 3 1 285.435 2.252 20 0 CEADMP C[N@@H+]1CC[C@H](NCc2ccc3c(c2)C[NH2+]C3)[C@H]2CCC[C@H]21 ZINC000423386603 394909312 /nfs/dbraw/zinc/90/93/12/394909312.db2.gz LZXIIINIDLMBHC-FGTMMUONSA-N 2 1 285.435 2.252 20 0 CEADMP C[N@H+]1CC[C@H](NCc2ccc3c(c2)C[NH2+]C3)[C@H]2CCC[C@H]21 ZINC000423386603 394909313 /nfs/dbraw/zinc/90/93/13/394909313.db2.gz LZXIIINIDLMBHC-FGTMMUONSA-N 2 1 285.435 2.252 20 0 CEADMP CN1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@H]2CCC[C@H]21 ZINC000423386603 394909317 /nfs/dbraw/zinc/90/93/17/394909317.db2.gz LZXIIINIDLMBHC-FGTMMUONSA-N 2 1 285.435 2.252 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](c2cncc(F)c2)C2CC2)CC[NH2+]1 ZINC000423390957 394911727 /nfs/dbraw/zinc/91/17/27/394911727.db2.gz WQAPGGOLNDMDLS-KMUNFCNLSA-N 2 1 263.360 2.402 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338302098 394912315 /nfs/dbraw/zinc/91/23/15/394912315.db2.gz AITKPXVBHBFFRJ-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338302098 394912321 /nfs/dbraw/zinc/91/23/21/394912321.db2.gz AITKPXVBHBFFRJ-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423394665 394913893 /nfs/dbraw/zinc/91/38/93/394913893.db2.gz MWEJDEUVSQCZCT-XWIAVFTESA-N 2 1 283.419 2.379 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1CO ZINC000365226484 394922650 /nfs/dbraw/zinc/92/26/50/394922650.db2.gz WMQPRXAJWOGHRJ-NUJGCVRESA-N 2 1 288.435 2.356 20 0 CEADMP COCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000423452775 394924051 /nfs/dbraw/zinc/92/40/51/394924051.db2.gz WWORUSFRJUFVNG-XQQFMLRXSA-N 2 1 266.385 2.098 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000423484782 394931363 /nfs/dbraw/zinc/93/13/63/394931363.db2.gz YWWXBXJTWQXHNG-TZMCWYRMSA-N 2 1 250.411 2.344 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423486079 394932233 /nfs/dbraw/zinc/93/22/33/394932233.db2.gz AZMNDHIHDUJFCI-DVOMOZLQSA-N 2 1 295.858 2.325 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(C)c1 ZINC000423490079 394934331 /nfs/dbraw/zinc/93/43/31/394934331.db2.gz HMDTYYQMLNTJTF-JKSUJKDBSA-N 2 1 262.397 2.414 20 0 CEADMP Cc1c[nH+]ccc1N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000366427582 394944387 /nfs/dbraw/zinc/94/43/87/394944387.db2.gz GWBAEYPSMBVYCN-INIZCTEOSA-N 2 1 253.349 2.411 20 0 CEADMP CSc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423523338 394945210 /nfs/dbraw/zinc/94/52/10/394945210.db2.gz RXXVCFAWKKFQKV-JSGCOSHPSA-N 2 1 280.437 2.438 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000423775957 394981052 /nfs/dbraw/zinc/98/10/52/394981052.db2.gz PXZYVPPUAMNTAD-YQQAZPJKSA-N 2 1 295.471 2.003 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000415929133 394981458 /nfs/dbraw/zinc/98/14/58/394981458.db2.gz ILFVYCXEPOHJLB-SWLSCSKDSA-N 2 1 290.411 2.010 20 0 CEADMP C(CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CC[NH+]1CCCC1 ZINC000340475364 394985937 /nfs/dbraw/zinc/98/59/37/394985937.db2.gz ACKIILFVZXKLJL-IRXDYDNUSA-N 3 1 279.472 2.469 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC000152088431 394986854 /nfs/dbraw/zinc/98/68/54/394986854.db2.gz OENPHUQYRPFYGG-CYBMUJFWSA-N 2 1 268.351 2.391 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC000152088431 394986857 /nfs/dbraw/zinc/98/68/57/394986857.db2.gz OENPHUQYRPFYGG-CYBMUJFWSA-N 2 1 268.351 2.391 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000152273493 394991457 /nfs/dbraw/zinc/99/14/57/394991457.db2.gz GXXMINLUBSMUNT-PMPSAXMXSA-N 2 1 291.439 2.346 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000342701556 395019738 /nfs/dbraw/zinc/01/97/38/395019738.db2.gz YXPZAOIEQSUQDS-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367613146 394966932 /nfs/dbraw/zinc/96/69/32/394966932.db2.gz FJRBAZNTRDLQFL-MCIONIFRSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](C(=O)N[C@H](C)CCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000423690013 394967188 /nfs/dbraw/zinc/96/71/88/394967188.db2.gz NPZJDTXJLGGALM-GDBMZVCRSA-N 2 1 291.439 2.141 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1([NH3+])CCCCC1 ZINC000423738966 394973253 /nfs/dbraw/zinc/97/32/53/394973253.db2.gz CLWCSEORAITKSI-UHFFFAOYSA-N 2 1 295.471 2.371 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H](C)CCn1cccn1)[NH+]1CCCC1 ZINC000158623637 395050546 /nfs/dbraw/zinc/05/05/46/395050546.db2.gz NHDMBOAYHYRPJN-JKSUJKDBSA-N 2 1 278.444 2.372 20 0 CEADMP CC[C@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)[NH+](CC)CC ZINC000344526831 395056741 /nfs/dbraw/zinc/05/67/41/395056741.db2.gz HRVVSLIAIXQVLN-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCn3ccnc3)C2)CC1 ZINC000161902395 395066916 /nfs/dbraw/zinc/06/69/16/395066916.db2.gz XKYRKPATFAJAIW-QGZVFWFLSA-N 3 1 290.455 2.327 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC000161902395 395066920 /nfs/dbraw/zinc/06/69/20/395066920.db2.gz XKYRKPATFAJAIW-QGZVFWFLSA-N 3 1 290.455 2.327 20 0 CEADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C2 ZINC000425927000 395069538 /nfs/dbraw/zinc/06/95/38/395069538.db2.gz PUOZSEMXBORKMS-WBVHZDCISA-N 2 1 288.435 2.482 20 0 CEADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)s1 ZINC000425932578 395070561 /nfs/dbraw/zinc/07/05/61/395070561.db2.gz QQMKKUHYXPOYCA-RYUDHWBXSA-N 2 1 299.484 2.489 20 0 CEADMP CC[N@H+](CC[NH2+]C1CCC(C(=O)OC)CC1)C(C)C ZINC000426040498 395071949 /nfs/dbraw/zinc/07/19/49/395071949.db2.gz WCJIQLCBJQMDFL-UHFFFAOYSA-N 2 1 270.417 2.038 20 0 CEADMP CC[N@@H+](CC[NH2+]C1CCC(C(=O)OC)CC1)C(C)C ZINC000426040498 395071952 /nfs/dbraw/zinc/07/19/52/395071952.db2.gz WCJIQLCBJQMDFL-UHFFFAOYSA-N 2 1 270.417 2.038 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000163265398 395082092 /nfs/dbraw/zinc/08/20/92/395082092.db2.gz FVWJXQJRHMIPRH-OAHLLOKOSA-N 2 1 263.385 2.084 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000163265398 395082097 /nfs/dbraw/zinc/08/20/97/395082097.db2.gz FVWJXQJRHMIPRH-OAHLLOKOSA-N 2 1 263.385 2.084 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000289727185 395084342 /nfs/dbraw/zinc/08/43/42/395084342.db2.gz HGWHTOSETVHVKF-QZTJIDSGSA-N 2 1 288.435 2.149 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000289727185 395084345 /nfs/dbraw/zinc/08/43/45/395084345.db2.gz HGWHTOSETVHVKF-QZTJIDSGSA-N 2 1 288.435 2.149 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000289727185 395084348 /nfs/dbraw/zinc/08/43/48/395084348.db2.gz HGWHTOSETVHVKF-QZTJIDSGSA-N 2 1 288.435 2.149 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000289727185 395084352 /nfs/dbraw/zinc/08/43/52/395084352.db2.gz HGWHTOSETVHVKF-QZTJIDSGSA-N 2 1 288.435 2.149 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000290085883 395093953 /nfs/dbraw/zinc/09/39/53/395093953.db2.gz VLVBTHOASIQGRP-WMZOPIPTSA-N 2 1 290.451 2.395 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000290085883 395093954 /nfs/dbraw/zinc/09/39/54/395093954.db2.gz VLVBTHOASIQGRP-WMZOPIPTSA-N 2 1 290.451 2.395 20 0 CEADMP CC[C@@H](Cc1ccccc1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290085883 395093956 /nfs/dbraw/zinc/09/39/56/395093956.db2.gz VLVBTHOASIQGRP-WMZOPIPTSA-N 2 1 290.451 2.395 20 0 CEADMP CC[C@@H](Cc1ccccc1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290085883 395093958 /nfs/dbraw/zinc/09/39/58/395093958.db2.gz VLVBTHOASIQGRP-WMZOPIPTSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000343439488 395039030 /nfs/dbraw/zinc/03/90/30/395039030.db2.gz KREHQTYXLXQMAP-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C[C@H](C)O1 ZINC000343598313 395042533 /nfs/dbraw/zinc/04/25/33/395042533.db2.gz LHUMPNPMBULLIB-UXXRCYHCSA-N 2 1 254.418 2.120 20 0 CEADMP CC[C@@](C)(O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000372553909 395042762 /nfs/dbraw/zinc/04/27/62/395042762.db2.gz NYRDZQKKWSVQQP-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)C1 ZINC000376413210 395119752 /nfs/dbraw/zinc/11/97/52/395119752.db2.gz UORXGVPAUYMLOG-ZHCJQAHYSA-N 2 1 296.455 2.033 20 0 CEADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)C1 ZINC000376413210 395119756 /nfs/dbraw/zinc/11/97/56/395119756.db2.gz UORXGVPAUYMLOG-ZHCJQAHYSA-N 2 1 296.455 2.033 20 0 CEADMP CCCC[C@H](C[NH3+])NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000417535893 395122993 /nfs/dbraw/zinc/12/29/93/395122993.db2.gz PUOMYADYWFLTSY-QLFBSQMISA-N 2 1 298.475 2.066 20 0 CEADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)[C@@H]1CCCCO1 ZINC000347442927 395124668 /nfs/dbraw/zinc/12/46/68/395124668.db2.gz QMLAJEBJEBFCQW-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436267486 395103952 /nfs/dbraw/zinc/10/39/52/395103952.db2.gz CVBWSSKURSMBJQ-UHFFFAOYSA-N 2 1 261.344 2.491 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346821598 395108654 /nfs/dbraw/zinc/10/86/54/395108654.db2.gz IWKUHPJTWXXDFD-HRCADAONSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCO1 ZINC000346835570 395109356 /nfs/dbraw/zinc/10/93/56/395109356.db2.gz UAAIRCPBUGJKIY-YIDVYQOGSA-N 2 1 266.429 2.251 20 0 CEADMP CC(=O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377331142 395136476 /nfs/dbraw/zinc/13/64/76/395136476.db2.gz RGBKDJXSFJQCQG-MSOLQXFVSA-N 2 1 286.419 2.419 20 0 CEADMP CC(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377331142 395136482 /nfs/dbraw/zinc/13/64/82/395136482.db2.gz RGBKDJXSFJQCQG-MSOLQXFVSA-N 2 1 286.419 2.419 20 0 CEADMP CC(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377331142 395136488 /nfs/dbraw/zinc/13/64/88/395136488.db2.gz RGBKDJXSFJQCQG-MSOLQXFVSA-N 2 1 286.419 2.419 20 0 CEADMP CC(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377331142 395136492 /nfs/dbraw/zinc/13/64/92/395136492.db2.gz RGBKDJXSFJQCQG-MSOLQXFVSA-N 2 1 286.419 2.419 20 0 CEADMP CO[C@]1(C)CCC[N@@H+](CCC[NH+]2CCC[C@](C)(OC)C2)C1 ZINC000348222829 395138697 /nfs/dbraw/zinc/13/86/97/395138697.db2.gz ANYBHWJSXIAVGE-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CO[C@]1(C)CCC[NH+](CCC[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348222829 395138701 /nfs/dbraw/zinc/13/87/01/395138701.db2.gz ANYBHWJSXIAVGE-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CO[C@]1(C)CCC[NH+](CCC[N@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348222829 395138705 /nfs/dbraw/zinc/13/87/05/395138705.db2.gz ANYBHWJSXIAVGE-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000292908223 395209550 /nfs/dbraw/zinc/20/95/50/395209550.db2.gz WONOOOSGLYGTEF-DOTOQJQBSA-N 2 1 294.414 2.003 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000292908223 395209556 /nfs/dbraw/zinc/20/95/56/395209556.db2.gz WONOOOSGLYGTEF-DOTOQJQBSA-N 2 1 294.414 2.003 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000292908223 395209561 /nfs/dbraw/zinc/20/95/61/395209561.db2.gz WONOOOSGLYGTEF-DOTOQJQBSA-N 2 1 294.414 2.003 20 0 CEADMP C[N@@H+](CCC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000433200281 395210031 /nfs/dbraw/zinc/21/00/31/395210031.db2.gz PKGYOCPBZRAFPT-XYPWUTKMSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](CCC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000433200281 395210037 /nfs/dbraw/zinc/21/00/37/395210037.db2.gz PKGYOCPBZRAFPT-XYPWUTKMSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](CCC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000433200281 395210042 /nfs/dbraw/zinc/21/00/42/395210042.db2.gz PKGYOCPBZRAFPT-XYPWUTKMSA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000397282878 395221697 /nfs/dbraw/zinc/22/16/97/395221697.db2.gz SHXDGPXMIPDLFJ-KEYYUXOJSA-N 2 1 288.435 2.469 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1C[NH+](CC)C[C@H]1C ZINC000353073190 395286663 /nfs/dbraw/zinc/28/66/63/395286663.db2.gz OQDKUYFJDMUARK-ILXRZTDVSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1C[N@H+](CC)C[C@H]1C ZINC000353073190 395286664 /nfs/dbraw/zinc/28/66/64/395286664.db2.gz OQDKUYFJDMUARK-ILXRZTDVSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1C[N@@H+](CC)C[C@H]1C ZINC000353073190 395286667 /nfs/dbraw/zinc/28/66/67/395286667.db2.gz OQDKUYFJDMUARK-ILXRZTDVSA-N 2 1 255.450 2.037 20 0 CEADMP c1cc(CCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccn1 ZINC000420322779 395325899 /nfs/dbraw/zinc/32/58/99/395325899.db2.gz FKFYWDARGNXJCL-DLBZAZTESA-N 2 1 273.424 2.336 20 0 CEADMP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000420298478 395303468 /nfs/dbraw/zinc/30/34/68/395303468.db2.gz HENLVKAXJYDNQU-IRXDYDNUSA-N 2 1 287.451 2.078 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000353624423 395303566 /nfs/dbraw/zinc/30/35/66/395303566.db2.gz QJNLMANQESLILO-XPKDYRNWSA-N 2 1 294.464 2.466 20 0 CEADMP [NH3+]CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420305460 395309225 /nfs/dbraw/zinc/30/92/25/395309225.db2.gz GJQNWBYKGMLYQN-INIZCTEOSA-N 3 1 275.440 2.227 20 0 CEADMP Fc1ccc([C@@H]2CCCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420304981 395309636 /nfs/dbraw/zinc/30/96/36/395309636.db2.gz PCIFFLRUWUUNQF-KRWDZBQOSA-N 2 1 291.414 2.258 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000420306334 395311706 /nfs/dbraw/zinc/31/17/06/395311706.db2.gz ASEQJMDHDJKGQB-ZIAGYGMSSA-N 2 1 250.411 2.222 20 0 CEADMP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000353929755 395311722 /nfs/dbraw/zinc/31/17/22/395311722.db2.gz FLGVJRCZENLHIE-CJNGLKHVSA-N 2 1 266.429 2.408 20 0 CEADMP CN(CC[N@@H+](C)CC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000420306296 395311760 /nfs/dbraw/zinc/31/17/60/395311760.db2.gz AHEHDSVAQQPUKM-OAHLLOKOSA-N 2 1 261.413 2.054 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420312925 395317116 /nfs/dbraw/zinc/31/71/16/395317116.db2.gz JEJXJQXITHPVCK-GFCCVEGCSA-N 2 1 273.302 2.271 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420312925 395317120 /nfs/dbraw/zinc/31/71/20/395317120.db2.gz JEJXJQXITHPVCK-GFCCVEGCSA-N 2 1 273.302 2.271 20 0 CEADMP C[N@@H+](CCOc1ccccc1)CC[C@H]1CCC[NH2+]C1 ZINC000420315312 395320164 /nfs/dbraw/zinc/32/01/64/395320164.db2.gz LPGYHKMTXSTPRQ-OAHLLOKOSA-N 2 1 262.397 2.387 20 0 CEADMP Cc1ccc([C@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420316076 395320418 /nfs/dbraw/zinc/32/04/18/395320418.db2.gz MIPPUTQJTYJAMS-QGZVFWFLSA-N 2 1 273.424 2.037 20 0 CEADMP c1ccc([C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420317092 395320435 /nfs/dbraw/zinc/32/04/35/395320435.db2.gz NBNLXWDSSNWKQG-GDBMZVCRSA-N 2 1 260.381 2.060 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCN1CC(F)F ZINC000420366888 395354089 /nfs/dbraw/zinc/35/40/89/395354089.db2.gz UZZGDEOYYXZOOW-ZIAGYGMSSA-N 2 1 289.414 2.037 20 0 CEADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000442880678 395397520 /nfs/dbraw/zinc/39/75/20/395397520.db2.gz ZHJJKBPAWWSUEG-AWEZNQCLSA-N 2 1 255.450 2.037 20 0 CEADMP c1ccc(C[C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420370140 395357630 /nfs/dbraw/zinc/35/76/30/395357630.db2.gz YNSDTUJINHDQPF-QZTJIDSGSA-N 2 1 288.435 2.320 20 0 CEADMP CC(C)(C)CCC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420377836 395364656 /nfs/dbraw/zinc/36/46/56/395364656.db2.gz LJSWBHSGLLCMKJ-CQSZACIVSA-N 2 1 279.432 2.200 20 0 CEADMP Cc1nc(C2([NH2+]CC[C@H]3CCC[NH2+]C3)CCCC2)no1 ZINC000420382153 395365737 /nfs/dbraw/zinc/36/57/37/395365737.db2.gz YLVJAZMTWTWWOK-CYBMUJFWSA-N 2 1 278.400 2.127 20 0 CEADMP CC[C@@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)OC ZINC000412974495 395371615 /nfs/dbraw/zinc/37/16/15/395371615.db2.gz BAJKFZDMCBQJPL-CABCVRRESA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)OC ZINC000412974495 395371619 /nfs/dbraw/zinc/37/16/19/395371619.db2.gz BAJKFZDMCBQJPL-CABCVRRESA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)OC ZINC000412974495 395371621 /nfs/dbraw/zinc/37/16/21/395371621.db2.gz BAJKFZDMCBQJPL-CABCVRRESA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355223211 395373284 /nfs/dbraw/zinc/37/32/84/395373284.db2.gz PYAJLKCSZZARKB-BPQIPLTHSA-N 2 1 287.451 2.048 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355223211 395373289 /nfs/dbraw/zinc/37/32/89/395373289.db2.gz PYAJLKCSZZARKB-BPQIPLTHSA-N 2 1 287.451 2.048 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355223211 395373295 /nfs/dbraw/zinc/37/32/95/395373295.db2.gz PYAJLKCSZZARKB-BPQIPLTHSA-N 2 1 287.451 2.048 20 0 CEADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355223211 395373300 /nfs/dbraw/zinc/37/33/00/395373300.db2.gz PYAJLKCSZZARKB-BPQIPLTHSA-N 2 1 287.451 2.048 20 0 CEADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355223211 395373305 /nfs/dbraw/zinc/37/33/05/395373305.db2.gz PYAJLKCSZZARKB-BPQIPLTHSA-N 2 1 287.451 2.048 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435623082 395378666 /nfs/dbraw/zinc/37/86/66/395378666.db2.gz TWJVSYCLXYMSKZ-AWEZNQCLSA-N 2 1 272.396 2.217 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435623082 395378671 /nfs/dbraw/zinc/37/86/71/395378671.db2.gz TWJVSYCLXYMSKZ-AWEZNQCLSA-N 2 1 272.396 2.217 20 0 CEADMP CCc1ccc(C[N@@H+](CCN2CC[NH2+]CC2)C2CC2)cc1 ZINC000420328523 395330667 /nfs/dbraw/zinc/33/06/67/395330667.db2.gz ZTSUUSLVDOLLEC-UHFFFAOYSA-N 2 1 287.451 2.119 20 0 CEADMP COCCCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330168 395330763 /nfs/dbraw/zinc/33/07/63/395330763.db2.gz POBLQQRLLKXPCC-HUUCEWRRSA-N 2 1 254.418 2.125 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000354503245 395333762 /nfs/dbraw/zinc/33/37/62/395333762.db2.gz VWCMDNNUGNPSKQ-GJZGRUSLSA-N 2 1 283.460 2.096 20 0 CEADMP C(CN1CCCCC1)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420336175 395334361 /nfs/dbraw/zinc/33/43/61/395334361.db2.gz LPFOAMGTTMZCOE-KRWDZBQOSA-N 2 1 279.472 2.326 20 0 CEADMP C(CN1CCC([C@@H]2CCC[NH2+]2)CC1)C[NH+]1CCCCC1 ZINC000420336175 395334368 /nfs/dbraw/zinc/33/43/68/395334368.db2.gz LPFOAMGTTMZCOE-KRWDZBQOSA-N 2 1 279.472 2.326 20 0 CEADMP CC(C)n1ccnc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420343395 395338394 /nfs/dbraw/zinc/33/83/94/395338394.db2.gz YVTADDSEZHNRJR-HNNXBMFYSA-N 2 1 276.428 2.428 20 0 CEADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000411898577 395340280 /nfs/dbraw/zinc/34/02/80/395340280.db2.gz ZVSIQZRCXHRNMW-SJORKVTESA-N 2 1 285.391 2.484 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000434988558 395342340 /nfs/dbraw/zinc/34/23/40/395342340.db2.gz UGGIXOHDOKMSBU-LBPRGKRZSA-N 2 1 274.368 2.053 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000434988558 395342345 /nfs/dbraw/zinc/34/23/45/395342345.db2.gz UGGIXOHDOKMSBU-LBPRGKRZSA-N 2 1 274.368 2.053 20 0 CEADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420355068 395343407 /nfs/dbraw/zinc/34/34/07/395343407.db2.gz PPWZJKAJBVRNGB-SWLSCSKDSA-N 2 1 264.413 2.297 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000354978502 395352163 /nfs/dbraw/zinc/35/21/63/395352163.db2.gz YHXODLGRVMHMMV-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CSCC[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420929237 395437478 /nfs/dbraw/zinc/43/74/78/395437478.db2.gz COWNMUNZJZVGLA-UHFFFAOYSA-N 2 1 294.464 2.314 20 0 CEADMP CSCC[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420929237 395437485 /nfs/dbraw/zinc/43/74/85/395437485.db2.gz COWNMUNZJZVGLA-UHFFFAOYSA-N 2 1 294.464 2.314 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CC2(C(=O)OC)CC2)CC1 ZINC000448525603 395512727 /nfs/dbraw/zinc/51/27/27/395512727.db2.gz SIRPPPGFIJPYDM-UHFFFAOYSA-N 2 1 296.455 2.384 20 0 CEADMP COCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000566412528 395519632 /nfs/dbraw/zinc/51/96/32/395519632.db2.gz WGIAGXRKXCKPFC-DZGCQCFKSA-N 2 1 278.396 2.023 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000566417523 395520931 /nfs/dbraw/zinc/52/09/31/395520931.db2.gz YRFMVQZTVICREP-MRXNPFEDSA-N 2 1 277.412 2.244 20 0 CEADMP C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[N@H+]1CCCC[C@H]1C ZINC000566020221 395496444 /nfs/dbraw/zinc/49/64/44/395496444.db2.gz IVZUFJHQGDDWEI-KBUPBQIOSA-N 3 1 253.434 2.109 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](COC)C2CCCC2)C1 ZINC000446750058 395498278 /nfs/dbraw/zinc/49/82/78/395498278.db2.gz DPGZFVUZJJSFDZ-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000446890775 395501198 /nfs/dbraw/zinc/50/11/98/395501198.db2.gz PDKUTGNORBIUFW-YOEHRIQHSA-N 3 1 279.472 2.181 20 0 CEADMP CCN1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000446890775 395501200 /nfs/dbraw/zinc/50/12/00/395501200.db2.gz PDKUTGNORBIUFW-YOEHRIQHSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1C ZINC000446909428 395501850 /nfs/dbraw/zinc/50/18/50/395501850.db2.gz YOYRNQWNYYXTQJ-YPMHNXCESA-N 2 1 295.452 2.022 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560218 395555010 /nfs/dbraw/zinc/55/50/10/395555010.db2.gz HSTXLKHMZRERED-MQVJKMGUSA-N 2 1 276.428 2.487 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560218 395555013 /nfs/dbraw/zinc/55/50/13/395555013.db2.gz HSTXLKHMZRERED-MQVJKMGUSA-N 2 1 276.428 2.487 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1cccc(F)c1 ZINC000574051187 395625688 /nfs/dbraw/zinc/62/56/88/395625688.db2.gz QYPHPQUXLJSBCA-DGCLKSJQSA-N 2 1 252.333 2.016 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1cccc(F)c1 ZINC000574051187 395625689 /nfs/dbraw/zinc/62/56/89/395625689.db2.gz QYPHPQUXLJSBCA-DGCLKSJQSA-N 2 1 252.333 2.016 20 0 CEADMP OCC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000574322651 395628052 /nfs/dbraw/zinc/62/80/52/395628052.db2.gz XRQJSVNJVNLMBW-INIZCTEOSA-N 2 1 286.419 2.298 20 0 CEADMP OCC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000574322651 395628053 /nfs/dbraw/zinc/62/80/53/395628053.db2.gz XRQJSVNJVNLMBW-INIZCTEOSA-N 2 1 286.419 2.298 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+](C)[C@@H]3CCN(C)C[C@@H]3C)cc12 ZINC000574797491 395637499 /nfs/dbraw/zinc/63/74/99/395637499.db2.gz ZXOBBQYWLOXHMZ-XHDPSFHLSA-N 2 1 287.411 2.038 20 0 CEADMP C(C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)[C@@H]1CCC[NH2+]C1 ZINC000574790995 395637628 /nfs/dbraw/zinc/63/76/28/395637628.db2.gz NWXJFDLBUOTCLL-GXTWGEPZSA-N 2 1 290.411 2.126 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000574887213 395639884 /nfs/dbraw/zinc/63/98/84/395639884.db2.gz VZVZDKFIKRNKRS-RISCZKNCSA-N 2 1 250.390 2.084 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000574887213 395639885 /nfs/dbraw/zinc/63/98/85/395639885.db2.gz VZVZDKFIKRNKRS-RISCZKNCSA-N 2 1 250.390 2.084 20 0 CEADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000647336708 395705299 /nfs/dbraw/zinc/70/52/99/395705299.db2.gz FDDHPUPMGBJBQZ-ZVDSWSACSA-N 2 1 268.445 2.246 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000647509929 395724145 /nfs/dbraw/zinc/72/41/45/395724145.db2.gz YIDHDXDMSFLYSK-GXTWGEPZSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000647509895 395724411 /nfs/dbraw/zinc/72/44/11/395724411.db2.gz ORPCXDBVCGFYDJ-OCCSQVGLSA-N 2 1 255.365 2.404 20 0 CEADMP COCC(C)(C)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479286 395719946 /nfs/dbraw/zinc/71/99/46/395719946.db2.gz ANHWMMHPNBRWGN-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@H]1C[N@H+](Cc2sccc2OC)CC[C@@H]1[NH3+] ZINC000647499062 395722716 /nfs/dbraw/zinc/72/27/16/395722716.db2.gz YNHIEKHAUIPARG-QWRGUYRKSA-N 2 1 254.399 2.316 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2sccc2OC)CC[C@@H]1[NH3+] ZINC000647499062 395722718 /nfs/dbraw/zinc/72/27/18/395722718.db2.gz YNHIEKHAUIPARG-QWRGUYRKSA-N 2 1 254.399 2.316 20 0 CEADMP FC(F)(F)CO[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000647514057 395724869 /nfs/dbraw/zinc/72/48/69/395724869.db2.gz FBVMWJAUYUAKOL-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)CO[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000647514057 395724871 /nfs/dbraw/zinc/72/48/71/395724871.db2.gz FBVMWJAUYUAKOL-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CC(C)(C)[NH3+] ZINC000647518134 395725489 /nfs/dbraw/zinc/72/54/89/395725489.db2.gz HGBWRIDXMDJMMF-AWEZNQCLSA-N 2 1 261.413 2.454 20 0 CEADMP CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC(C)(C)[NH3+] ZINC000647518134 395725491 /nfs/dbraw/zinc/72/54/91/395725491.db2.gz HGBWRIDXMDJMMF-AWEZNQCLSA-N 2 1 261.413 2.454 20 0 CEADMP c1csc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647542916 395730776 /nfs/dbraw/zinc/73/07/76/395730776.db2.gz DRBPHTSSZYJZIK-STQMWFEESA-N 2 1 265.426 2.355 20 0 CEADMP CC(C)[C@H]1[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC12CC=CC2 ZINC000647614885 395737722 /nfs/dbraw/zinc/73/77/22/395737722.db2.gz PRHZPXLEEKOAPO-JKSUJKDBSA-N 2 1 278.440 2.118 20 0 CEADMP CC(C)[C@H]1[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC12CC=CC2 ZINC000647614885 395737724 /nfs/dbraw/zinc/73/77/24/395737724.db2.gz PRHZPXLEEKOAPO-JKSUJKDBSA-N 2 1 278.440 2.118 20 0 CEADMP CC(C)[C@H]1[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC12CC=CC2 ZINC000647614885 395737726 /nfs/dbraw/zinc/73/77/26/395737726.db2.gz PRHZPXLEEKOAPO-JKSUJKDBSA-N 2 1 278.440 2.118 20 0 CEADMP CC(C)[C@H]1[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC12CC=CC2 ZINC000647614885 395737728 /nfs/dbraw/zinc/73/77/28/395737728.db2.gz PRHZPXLEEKOAPO-JKSUJKDBSA-N 2 1 278.440 2.118 20 0 CEADMP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000647664859 395741627 /nfs/dbraw/zinc/74/16/27/395741627.db2.gz SLUYZXQPCJXGPR-TZMCWYRMSA-N 2 1 275.396 2.075 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798615 395756910 /nfs/dbraw/zinc/75/69/10/395756910.db2.gz UHHVSHVFAJEJMS-ZJIFWQFVSA-N 3 1 267.461 2.085 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798615 395756911 /nfs/dbraw/zinc/75/69/11/395756911.db2.gz UHHVSHVFAJEJMS-ZJIFWQFVSA-N 3 1 267.461 2.085 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC[C@H]1[NH3+] ZINC000647938897 395780315 /nfs/dbraw/zinc/78/03/15/395780315.db2.gz WQYXOCMCZCSAKO-JXLIZBIESA-N 2 1 295.471 2.129 20 0 CEADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC[C@H]1[NH3+] ZINC000647938897 395780318 /nfs/dbraw/zinc/78/03/18/395780318.db2.gz WQYXOCMCZCSAKO-JXLIZBIESA-N 2 1 295.471 2.129 20 0 CEADMP Cc1cccc2nc(CC[NH2+][C@H](C)c3c[nH+]ccc3N)cn21 ZINC000647804444 395758505 /nfs/dbraw/zinc/75/85/05/395758505.db2.gz QSYLNKLHJFWGSU-CYBMUJFWSA-N 2 1 295.390 2.344 20 0 CEADMP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)CCC[NH3+] ZINC000647849467 395763648 /nfs/dbraw/zinc/76/36/48/395763648.db2.gz UYHYWTFPCOXPHN-STQMWFEESA-N 2 1 295.452 2.081 20 0 CEADMP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)CCC[NH3+] ZINC000647849467 395763650 /nfs/dbraw/zinc/76/36/50/395763650.db2.gz UYHYWTFPCOXPHN-STQMWFEESA-N 2 1 295.452 2.081 20 0 CEADMP c1cc2c(cc[nH+]c2N2CC[NH+](Cc3ccncc3)CC2)[nH]1 ZINC000647848847 395763662 /nfs/dbraw/zinc/76/36/62/395763662.db2.gz VVIHGWYJQROAAD-UHFFFAOYSA-N 2 1 293.374 2.280 20 0 CEADMP C[N@H+]1CC[C@H]2CCN(c3[nH+]ccc4[nH]ccc43)[C@@H]2C1 ZINC000647876622 395767167 /nfs/dbraw/zinc/76/71/67/395767167.db2.gz UKJQGVQQVVWMGM-SMDDNHRTSA-N 2 1 256.353 2.093 20 0 CEADMP COc1ccccc1C[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647882923 395768522 /nfs/dbraw/zinc/76/85/22/395768522.db2.gz PIBYUKOCCIPOHB-GOEBONIOSA-N 2 1 274.408 2.312 20 0 CEADMP c1cc2c(c([C@H]3CCC[N@@H+]3C[C@H]3CC[NH2+]C3)c1)OCCO2 ZINC000647883940 395768598 /nfs/dbraw/zinc/76/85/98/395768598.db2.gz NAOPLIKFQMRMPH-DZGCQCFKSA-N 2 1 288.391 2.204 20 0 CEADMP COc1ccccc1[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647886651 395769255 /nfs/dbraw/zinc/76/92/55/395769255.db2.gz FPNRBIZPXMKMIZ-ZIAGYGMSSA-N 2 1 260.381 2.094 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)CC[C@H]1[NH3+] ZINC000647936408 395779193 /nfs/dbraw/zinc/77/91/93/395779193.db2.gz DCXMIMPKDKDYGJ-GDBMZVCRSA-N 2 1 275.396 2.204 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccsc1)CCO2 ZINC000648071548 395825939 /nfs/dbraw/zinc/82/59/39/395825939.db2.gz HWIWKMLJLBRYOR-UHFFFAOYSA-N 2 1 266.410 2.045 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccsc1)CCO2 ZINC000648071548 395825940 /nfs/dbraw/zinc/82/59/40/395825940.db2.gz HWIWKMLJLBRYOR-UHFFFAOYSA-N 2 1 266.410 2.045 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000648111021 395839707 /nfs/dbraw/zinc/83/97/07/395839707.db2.gz KEHCYTDJCIAEHT-LBPRGKRZSA-N 2 1 286.379 2.494 20 0 CEADMP CC(C)[NH2+]CCC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000648150544 395846566 /nfs/dbraw/zinc/84/65/66/395846566.db2.gz KBPNOJCYXLOJQW-UHFFFAOYSA-N 2 1 283.460 2.097 20 0 CEADMP C(c1nc(C2CC2)no1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976808 395793499 /nfs/dbraw/zinc/79/34/99/395793499.db2.gz UNYFMPXVKWETGJ-KGLIPLIRSA-N 2 1 290.411 2.159 20 0 CEADMP C(c1nc(C2CC2)no1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976808 395793502 /nfs/dbraw/zinc/79/35/02/395793502.db2.gz UNYFMPXVKWETGJ-KGLIPLIRSA-N 2 1 290.411 2.159 20 0 CEADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977135 395793547 /nfs/dbraw/zinc/79/35/47/395793547.db2.gz YFFJYKILHWARKK-JONQDZQNSA-N 2 1 295.471 2.001 20 0 CEADMP CCCCCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977359 395793631 /nfs/dbraw/zinc/79/36/31/395793631.db2.gz ADTQHWNQZFCRMO-CVEARBPZSA-N 2 1 295.471 2.004 20 0 CEADMP c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647989938 395796528 /nfs/dbraw/zinc/79/65/28/395796528.db2.gz GOVRZNJEGJJJPY-CABCVRRESA-N 2 1 284.407 2.110 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)CCO1 ZINC000648413277 395904622 /nfs/dbraw/zinc/90/46/22/395904622.db2.gz RGZCQIKFIDPKNZ-AEGPPILISA-N 2 1 265.401 2.375 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000648450888 395911074 /nfs/dbraw/zinc/91/10/74/395911074.db2.gz SIHQRHXQFRLGRC-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000648450888 395911078 /nfs/dbraw/zinc/91/10/78/395911078.db2.gz SIHQRHXQFRLGRC-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP C[NH2+]CCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649411539 396145961 /nfs/dbraw/zinc/14/59/61/396145961.db2.gz CPUWLOYVTKGEEH-UHFFFAOYSA-N 2 1 267.461 2.184 20 0 CEADMP Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H]2CC[NH2+]C2)s1 ZINC000649412956 396147154 /nfs/dbraw/zinc/14/71/54/396147154.db2.gz FZUODXUPPZHFMZ-ZYHUDNBSSA-N 2 1 253.415 2.362 20 0 CEADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H]2CC[NH2+]C2)s1 ZINC000649412956 396147156 /nfs/dbraw/zinc/14/71/56/396147156.db2.gz FZUODXUPPZHFMZ-ZYHUDNBSSA-N 2 1 253.415 2.362 20 0 CEADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000649414319 396148276 /nfs/dbraw/zinc/14/82/76/396148276.db2.gz STVBUUZOHGSBLR-GDBMZVCRSA-N 2 1 273.424 2.327 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000649414312 396148575 /nfs/dbraw/zinc/14/85/75/396148575.db2.gz SHTVIVLBUODNCK-ZBFHGGJFSA-N 2 1 276.428 2.255 20 0 CEADMP CCc1cnc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000649418292 396149019 /nfs/dbraw/zinc/14/90/19/396149019.db2.gz YFOMANAFOLYPLY-KBPBESRZSA-N 2 1 277.412 2.449 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2cncc(C)n2)C[C@H]1C ZINC000649546820 396184724 /nfs/dbraw/zinc/18/47/24/396184724.db2.gz BCOOULAQWYPSLY-GDBMZVCRSA-N 2 1 276.428 2.132 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cncc(C)n2)C[C@H]1C ZINC000649546820 396184727 /nfs/dbraw/zinc/18/47/27/396184727.db2.gz BCOOULAQWYPSLY-GDBMZVCRSA-N 2 1 276.428 2.132 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cncc(C)n2)C[C@H]1C ZINC000649546820 396184729 /nfs/dbraw/zinc/18/47/29/396184729.db2.gz BCOOULAQWYPSLY-GDBMZVCRSA-N 2 1 276.428 2.132 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cncc(C)n2)C[C@H]1C ZINC000649546820 396184732 /nfs/dbraw/zinc/18/47/32/396184732.db2.gz BCOOULAQWYPSLY-GDBMZVCRSA-N 2 1 276.428 2.132 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2cncc(C)n2)C[C@H]1C ZINC000649546823 396184892 /nfs/dbraw/zinc/18/48/92/396184892.db2.gz BCOOULAQWYPSLY-ZBFHGGJFSA-N 2 1 276.428 2.132 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cncc(C)n2)C[C@H]1C ZINC000649546823 396184894 /nfs/dbraw/zinc/18/48/94/396184894.db2.gz BCOOULAQWYPSLY-ZBFHGGJFSA-N 2 1 276.428 2.132 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cncc(C)n2)C[C@H]1C ZINC000649546823 396184897 /nfs/dbraw/zinc/18/48/97/396184897.db2.gz BCOOULAQWYPSLY-ZBFHGGJFSA-N 2 1 276.428 2.132 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cncc(C)n2)C[C@H]1C ZINC000649546823 396184899 /nfs/dbraw/zinc/18/48/99/396184899.db2.gz BCOOULAQWYPSLY-ZBFHGGJFSA-N 2 1 276.428 2.132 20 0 CEADMP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H](CC)CO1 ZINC000649718695 396239384 /nfs/dbraw/zinc/23/93/84/396239384.db2.gz DYDAHYYKWSXJIJ-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H](CC)CO1 ZINC000649718695 396239385 /nfs/dbraw/zinc/23/93/85/396239385.db2.gz DYDAHYYKWSXJIJ-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H](CC)CO1 ZINC000649718695 396239386 /nfs/dbraw/zinc/23/93/86/396239386.db2.gz DYDAHYYKWSXJIJ-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H](CC)CO1 ZINC000649718695 396239388 /nfs/dbraw/zinc/23/93/88/396239388.db2.gz DYDAHYYKWSXJIJ-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000646916379 396391367 /nfs/dbraw/zinc/39/13/67/396391367.db2.gz GWUBOZGFDXJKGP-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP COC1(C[C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000372990550 292124634 /nfs/dbraw/zinc/12/46/34/292124634.db2.gz OVQZRHZXLNSVLB-CHWSQXEVSA-N 2 1 263.385 2.135 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1O ZINC000037916285 400121594 /nfs/dbraw/zinc/12/15/94/400121594.db2.gz XRZLJLCQWRRDPF-GJZGRUSLSA-N 2 1 290.407 2.365 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1O ZINC000037916285 400121599 /nfs/dbraw/zinc/12/15/99/400121599.db2.gz XRZLJLCQWRRDPF-GJZGRUSLSA-N 2 1 290.407 2.365 20 0 CEADMP C[C@H]([NH2+]CCn1cccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309772449 400340832 /nfs/dbraw/zinc/34/08/32/400340832.db2.gz HVSSLSKQSZRZFZ-WMZOPIPTSA-N 2 1 298.434 2.383 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCCO1 ZINC000386191439 400524999 /nfs/dbraw/zinc/52/49/99/400524999.db2.gz LBOGFQXXZQIFSP-VAQLIOGMSA-N 2 1 252.402 2.159 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000393556982 400545775 /nfs/dbraw/zinc/54/57/75/400545775.db2.gz MGZJSFLXLCUUIN-RRFJBIMHSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000393556982 400545781 /nfs/dbraw/zinc/54/57/81/400545781.db2.gz MGZJSFLXLCUUIN-RRFJBIMHSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000393556982 400545786 /nfs/dbraw/zinc/54/57/86/400545786.db2.gz MGZJSFLXLCUUIN-RRFJBIMHSA-N 2 1 268.445 2.198 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@H+](CCC2CCCCCC2)CCO1 ZINC000394546707 400550034 /nfs/dbraw/zinc/55/00/34/400550034.db2.gz XWGRGSKOTGXOJD-DZGCQCFKSA-N 2 1 254.418 2.395 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC2CCCCCC2)CCO1 ZINC000394546707 400550037 /nfs/dbraw/zinc/55/00/37/400550037.db2.gz XWGRGSKOTGXOJD-DZGCQCFKSA-N 2 1 254.418 2.395 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC3CCCC3)C2)C1 ZINC000650708451 400999806 /nfs/dbraw/zinc/99/98/06/400999806.db2.gz ZSULTGXHCXTTLK-XHSDSOJGSA-N 2 1 266.429 2.395 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650711623 401001244 /nfs/dbraw/zinc/00/12/44/401001244.db2.gz ZOENPCBAEDIZBN-SUMWQHHRSA-N 2 1 292.471 2.494 20 0 CEADMP CCOCC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000310981537 286029070 /nfs/dbraw/zinc/02/90/70/286029070.db2.gz TYQHQAKVKVIKPK-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCO1 ZINC000651491437 401349418 /nfs/dbraw/zinc/34/94/18/401349418.db2.gz OMAFCRPYZTVUHI-DZGCQCFKSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1[nH+]c2ccccc2c(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1C ZINC000651451550 401339122 /nfs/dbraw/zinc/33/91/22/401339122.db2.gz PJNBVPFYVAVISO-OAHLLOKOSA-N 2 1 297.402 2.107 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cnc2ccccn12)C1CC1 ZINC000651600490 401359768 /nfs/dbraw/zinc/35/97/68/401359768.db2.gz OORMVKDFXSTPID-UHFFFAOYSA-N 2 1 272.396 2.298 20 0 CEADMP C[C@@H]1CCCCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000651707125 401375367 /nfs/dbraw/zinc/37/53/67/401375367.db2.gz ZVRAFFXTEBDSBT-BZUAXINKSA-N 2 1 295.471 2.132 20 0 CEADMP C1CC1[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000651928568 401416366 /nfs/dbraw/zinc/41/63/66/401416366.db2.gz LDYMKLNPDZXITQ-BRWVUGGUSA-N 2 1 278.440 2.408 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651762606 401385899 /nfs/dbraw/zinc/38/58/99/401385899.db2.gz DZIHBMCMGIBRGG-UHFFFAOYSA-N 2 1 288.435 2.112 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651866471 401406654 /nfs/dbraw/zinc/40/66/54/401406654.db2.gz GBQKXOUJTXQRJI-UHFFFAOYSA-N 2 1 252.406 2.094 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651866471 401406656 /nfs/dbraw/zinc/40/66/56/401406656.db2.gz GBQKXOUJTXQRJI-UHFFFAOYSA-N 2 1 252.406 2.094 20 0 CEADMP CC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)c1cnn(C)c1 ZINC000652222088 401466572 /nfs/dbraw/zinc/46/65/72/401466572.db2.gz FGMWFRKGBRZSIJ-HNNXBMFYSA-N 2 1 266.433 2.439 20 0 CEADMP CC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1cnn(C)c1 ZINC000652222088 401466574 /nfs/dbraw/zinc/46/65/74/401466574.db2.gz FGMWFRKGBRZSIJ-HNNXBMFYSA-N 2 1 266.433 2.439 20 0 CEADMP CCCCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345891 401490522 /nfs/dbraw/zinc/49/05/22/401490522.db2.gz OMKHMFNOIMPHPF-KKUMJFAQSA-N 2 1 254.418 2.395 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC000652348087 401490535 /nfs/dbraw/zinc/49/05/35/401490535.db2.gz UIMOHAQINWYMLV-KFWWJZLASA-N 2 1 252.402 2.005 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC000652348089 401490826 /nfs/dbraw/zinc/49/08/26/401490826.db2.gz UIMOHAQINWYMLV-RRFJBIMHSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@H]1CCC[N@H+](CC(=O)NCC2CCCCC2)[C@H]1CC[NH3+] ZINC000652353613 401492426 /nfs/dbraw/zinc/49/24/26/401492426.db2.gz UZLCYYJDCFDLJB-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]1CCC[N@@H+](CC(=O)NCC2CCCCC2)[C@H]1CC[NH3+] ZINC000652353613 401492427 /nfs/dbraw/zinc/49/24/27/401492427.db2.gz UZLCYYJDCFDLJB-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652351967 401492463 /nfs/dbraw/zinc/49/24/63/401492463.db2.gz PARAVXFUDVNMAZ-RDJZCZTQSA-N 2 1 287.407 2.206 20 0 CEADMP CCO[C@@H]1C[N@@H+](CCc2ccc(CC)cc2)C[C@H]1C[NH3+] ZINC000652356782 401492956 /nfs/dbraw/zinc/49/29/56/401492956.db2.gz HEXCNOVWOADBRE-IAGOWNOFSA-N 2 1 276.424 2.087 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cccc(CC)c2)C[C@H]1C[NH3+] ZINC000652356395 401493080 /nfs/dbraw/zinc/49/30/80/401493080.db2.gz GZNOYDRYWXNQLF-HZPDHXFCSA-N 2 1 262.397 2.045 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCc2ccncc2)[C@@H]1CC[NH3+] ZINC000652356198 401493128 /nfs/dbraw/zinc/49/31/28/401493128.db2.gz WGVHMIBXMZEJOG-GDBMZVCRSA-N 2 1 261.413 2.464 20 0 CEADMP Cc1c2cccc(C)c2oc1C[N@@H+](C)CCOCC[NH3+] ZINC000652358626 401494083 /nfs/dbraw/zinc/49/40/83/401494083.db2.gz YDQXGVYPUBAUNM-UHFFFAOYSA-N 2 1 276.380 2.457 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCCCCF)C1 ZINC000652363516 401494767 /nfs/dbraw/zinc/49/47/67/401494767.db2.gz GXJSLFRIPWDMBC-KFWWJZLASA-N 2 1 272.408 2.487 20 0 CEADMP COc1c[nH+]ccc1N1CCN(c2cccc(C)[nH+]2)CC1 ZINC000360244038 155252162 /nfs/dbraw/zinc/25/21/62/155252162.db2.gz YSHAMYLREIBODG-UHFFFAOYSA-N 2 1 284.363 2.120 20 0 CEADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C1CC1 ZINC000361008575 286146409 /nfs/dbraw/zinc/14/64/09/286146409.db2.gz FXSUPCFXKYDNGR-ZJIFWQFVSA-N 2 1 266.429 2.264 20 0 CEADMP CSc1ccc(OCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360546077 155325314 /nfs/dbraw/zinc/32/53/14/155325314.db2.gz MSGBWBPWXPGQDZ-MRXNPFEDSA-N 2 1 292.448 2.473 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360546077 155325315 /nfs/dbraw/zinc/32/53/15/155325315.db2.gz MSGBWBPWXPGQDZ-MRXNPFEDSA-N 2 1 292.448 2.473 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360567865 155329713 /nfs/dbraw/zinc/32/97/13/155329713.db2.gz HRHYTBCERQOBCH-KRWDZBQOSA-N 2 1 274.408 2.313 20 0 CEADMP Cn1ccc(CN2C[C@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)n1 ZINC000360776518 155369441 /nfs/dbraw/zinc/36/94/41/155369441.db2.gz DZVPVVIBGIFCGK-NXHRZFHOSA-N 2 1 296.418 2.155 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000190754107 153144661 /nfs/dbraw/zinc/14/46/61/153144661.db2.gz VTTUYAYCZNMZRI-OAHLLOKOSA-N 2 1 288.439 2.112 20 0 CEADMP CCc1n[nH]c(C2CCN(CCC[NH+](CC)CC)CC2)n1 ZINC000191896462 153196650 /nfs/dbraw/zinc/19/66/50/153196650.db2.gz BGSGEYCRCXXATH-UHFFFAOYSA-N 2 1 293.459 2.278 20 0 CEADMP CCc1nnc(C2CCN(CCC[NH+](CC)CC)CC2)[nH]1 ZINC000191896462 153196655 /nfs/dbraw/zinc/19/66/55/153196655.db2.gz BGSGEYCRCXXATH-UHFFFAOYSA-N 2 1 293.459 2.278 20 0 CEADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193631394 153233951 /nfs/dbraw/zinc/23/39/51/153233951.db2.gz FNDIHHVUPUBXEW-CALCHBBNSA-N 2 1 296.418 2.174 20 0 CEADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193631394 153233954 /nfs/dbraw/zinc/23/39/54/153233954.db2.gz FNDIHHVUPUBXEW-CALCHBBNSA-N 2 1 296.418 2.174 20 0 CEADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193631394 153233962 /nfs/dbraw/zinc/23/39/62/153233962.db2.gz FNDIHHVUPUBXEW-CALCHBBNSA-N 2 1 296.418 2.174 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](CCc3ccccc3Cl)C[C@@H]2C1 ZINC000193633138 153237270 /nfs/dbraw/zinc/23/72/70/153237270.db2.gz OIVJYXBNJIDWQD-OKILXGFUSA-N 2 1 264.800 2.376 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CCc3ccccc3Cl)C[C@@H]2C1 ZINC000193633138 153237276 /nfs/dbraw/zinc/23/72/76/153237276.db2.gz OIVJYXBNJIDWQD-OKILXGFUSA-N 2 1 264.800 2.376 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCc3ccccc3Cl)C[C@@H]2C1 ZINC000193633138 153237281 /nfs/dbraw/zinc/23/72/81/153237281.db2.gz OIVJYXBNJIDWQD-OKILXGFUSA-N 2 1 264.800 2.376 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCc3ccccc3Cl)C[C@@H]2C1 ZINC000193633138 153237285 /nfs/dbraw/zinc/23/72/85/153237285.db2.gz OIVJYXBNJIDWQD-OKILXGFUSA-N 2 1 264.800 2.376 20 0 CEADMP CC[N@H+]1CC[C@@H](CNCc2ncc(Cl)s2)C1 ZINC000225315830 153324642 /nfs/dbraw/zinc/32/46/42/153324642.db2.gz XPAGRSGNKFHKDU-VIFPVBQESA-N 2 1 259.806 2.228 20 0 CEADMP CC(C)(CCCO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000221609629 153312921 /nfs/dbraw/zinc/31/29/21/153312921.db2.gz IXBVQDAIUPIXRB-ZIAGYGMSSA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)n1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000226241327 153331098 /nfs/dbraw/zinc/33/10/98/153331098.db2.gz XHZASFCXNSHOAE-HUUCEWRRSA-N 2 1 262.401 2.180 20 0 CEADMP CC(C)n1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000226241327 153331102 /nfs/dbraw/zinc/33/11/02/153331102.db2.gz XHZASFCXNSHOAE-HUUCEWRRSA-N 2 1 262.401 2.180 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263121163 154020126 /nfs/dbraw/zinc/02/01/26/154020126.db2.gz AWOZIKDAEBZPTR-VYDXJSESSA-N 2 1 295.471 2.131 20 0 CEADMP CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352750710 154330124 /nfs/dbraw/zinc/33/01/24/154330124.db2.gz RFOCQQGVCIVCIG-RYUDHWBXSA-N 2 1 285.457 2.091 20 0 CEADMP C[C@H]1CCC[C@H](C[N@@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000352770092 154333106 /nfs/dbraw/zinc/33/31/06/154333106.db2.gz QJTXNZLHWGDCIH-IRXDYDNUSA-N 2 1 281.488 2.382 20 0 CEADMP CCCOc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000359459227 155019707 /nfs/dbraw/zinc/01/97/07/155019707.db2.gz NOAIGWZVUDOZIM-GJZGRUSLSA-N 2 1 290.407 2.135 20 0 CEADMP c1ccc(OCC2CC2)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359461153 155019855 /nfs/dbraw/zinc/01/98/55/155019855.db2.gz SXBYNTWDGCBRJZ-HOTGVXAUSA-N 2 1 272.392 2.127 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCCCC2)[C@@H](C)C1 ZINC000359579073 155061554 /nfs/dbraw/zinc/06/15/54/155061554.db2.gz DHVXPZVKNMKIKD-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[NH+](CCN[C@@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000359592105 155069818 /nfs/dbraw/zinc/06/98/18/155069818.db2.gz QKUMVQOLNOVMAY-HUUCEWRRSA-N 2 1 255.450 2.035 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000359712143 155119698 /nfs/dbraw/zinc/11/96/98/155119698.db2.gz KDTUDSVZIOZILN-MAUKXSAKSA-N 2 1 298.434 2.345 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000359742865 155124305 /nfs/dbraw/zinc/12/43/05/155124305.db2.gz LFZNPYZJDXKKDD-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000359742865 155124307 /nfs/dbraw/zinc/12/43/07/155124307.db2.gz LFZNPYZJDXKKDD-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000359742865 155124309 /nfs/dbraw/zinc/12/43/09/155124309.db2.gz LFZNPYZJDXKKDD-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000367593598 156207616 /nfs/dbraw/zinc/20/76/16/156207616.db2.gz HWOSJLWPKFGMFX-ZACQAIPSSA-N 2 1 273.424 2.395 20 0 CEADMP C[NH+](C)CCN[C@@H]1C[C@@H](C2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000367665260 156221680 /nfs/dbraw/zinc/22/16/80/156221680.db2.gz KQUNGGHEUGENKH-MSOLQXFVSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H]1C[N@@H+](CC(C)(C)C)CCN1C1CC[NH+](C)CC1 ZINC000368052895 156274942 /nfs/dbraw/zinc/27/49/42/156274942.db2.gz ZVLHCOLCPDXEGE-AWEZNQCLSA-N 2 1 267.461 2.133 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C/C=C/Cl ZINC000368418299 156341850 /nfs/dbraw/zinc/34/18/50/156341850.db2.gz WQSVEKJKCLCHGL-HKFQRNELSA-N 2 1 272.820 2.218 20 0 CEADMP C[N@H+]1CC[C@@H]2CCN(Cc3ccc(-n4ccnc4)cc3)C[C@H]21 ZINC000375027710 157043406 /nfs/dbraw/zinc/04/34/06/157043406.db2.gz ANPJTDJOFNGQEU-SJLPKXTDSA-N 2 1 296.418 2.398 20 0 CEADMP CN1CC[C@@H]2CC[N@H+](Cc3ccc(-n4ccnc4)cc3)C[C@H]21 ZINC000375027710 157043409 /nfs/dbraw/zinc/04/34/09/157043409.db2.gz ANPJTDJOFNGQEU-SJLPKXTDSA-N 2 1 296.418 2.398 20 0 CEADMP CCn1cc(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000375700152 157129080 /nfs/dbraw/zinc/12/90/80/157129080.db2.gz DFPWEEYNZICUMA-KRWDZBQOSA-N 2 1 290.455 2.396 20 0 CEADMP CCn1cc(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000375700152 157129082 /nfs/dbraw/zinc/12/90/82/157129082.db2.gz DFPWEEYNZICUMA-KRWDZBQOSA-N 2 1 290.455 2.396 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H]21 ZINC000375897092 157160513 /nfs/dbraw/zinc/16/05/13/157160513.db2.gz DCMPIXCVOQYACT-KKUMJFAQSA-N 2 1 288.391 2.378 20 0 CEADMP CC(C)OC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000536607335 298200758 /nfs/dbraw/zinc/20/07/58/298200758.db2.gz SNLZFBBNOXHUNH-AWEZNQCLSA-N 2 1 254.418 2.360 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000131805738 162299018 /nfs/dbraw/zinc/29/90/18/162299018.db2.gz KBEASAFBLLJDER-LSDHHAIUSA-N 2 1 262.397 2.351 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000168638848 162366907 /nfs/dbraw/zinc/36/69/07/162366907.db2.gz SITMLQJIHRWHLR-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1nn(C)c(C)c1CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173951512 165092055 /nfs/dbraw/zinc/09/20/55/165092055.db2.gz DMJGLUWKJRDKBE-HNNXBMFYSA-N 2 1 278.444 2.343 20 0 CEADMP COCCO[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000179280143 165276013 /nfs/dbraw/zinc/27/60/13/165276013.db2.gz ZJXBVZJUZVBTPE-MRXNPFEDSA-N 2 1 295.427 2.099 20 0 CEADMP COCCO[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000179280143 165276014 /nfs/dbraw/zinc/27/60/14/165276014.db2.gz ZJXBVZJUZVBTPE-MRXNPFEDSA-N 2 1 295.427 2.099 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)OC)CC1 ZINC000182072528 165361481 /nfs/dbraw/zinc/36/14/81/165361481.db2.gz VWEALTHDOSVFTG-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP CC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000020194498 171060023 /nfs/dbraw/zinc/06/00/23/171060023.db2.gz OFJNMMKRWRIHQY-HNNXBMFYSA-N 2 1 262.397 2.012 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CC1(C)COC1 ZINC000352808530 287267064 /nfs/dbraw/zinc/26/70/64/287267064.db2.gz ACDIFKIKCSCQAD-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP CC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285631426 196350624 /nfs/dbraw/zinc/35/06/24/196350624.db2.gz RGZYSRVVMZKBDZ-QZTJIDSGSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285631426 196350625 /nfs/dbraw/zinc/35/06/25/196350625.db2.gz RGZYSRVVMZKBDZ-QZTJIDSGSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285631426 196350627 /nfs/dbraw/zinc/35/06/27/196350627.db2.gz RGZYSRVVMZKBDZ-QZTJIDSGSA-N 2 1 288.435 2.355 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C)CC2)o1 ZINC000037256183 173066905 /nfs/dbraw/zinc/06/69/05/173066905.db2.gz UXVUQFCNAXSKMP-UHFFFAOYSA-N 2 1 274.368 2.162 20 0 CEADMP COc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037408183 173183537 /nfs/dbraw/zinc/18/35/37/173183537.db2.gz QQVFILRHRZTSCW-CQSZACIVSA-N 2 1 260.381 2.269 20 0 CEADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037408182 173184089 /nfs/dbraw/zinc/18/40/89/173184089.db2.gz QQVFILRHRZTSCW-AWEZNQCLSA-N 2 1 260.381 2.269 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000040622681 174356126 /nfs/dbraw/zinc/35/61/26/174356126.db2.gz FDGCPNJSWZYYHS-ZDUSSCGKSA-N 2 1 276.380 2.235 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000040622681 174356127 /nfs/dbraw/zinc/35/61/27/174356127.db2.gz FDGCPNJSWZYYHS-ZDUSSCGKSA-N 2 1 276.380 2.235 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)CN1Cc2ccccc2C2(CC2)C1 ZINC000660318854 414767924 /nfs/dbraw/zinc/76/79/24/414767924.db2.gz WKNPRFQUANRSLM-INIZCTEOSA-N 2 1 288.435 2.235 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCCC1 ZINC000401012104 414748603 /nfs/dbraw/zinc/74/86/03/414748603.db2.gz HHTZGJGEEFGUGL-NXOAAHMSSA-N 3 1 279.472 2.085 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cc(C)nc3ccccc23)C[C@H]1C[NH3+] ZINC000405875610 414795543 /nfs/dbraw/zinc/79/55/43/414795543.db2.gz RVCRZBZCPQRSPH-CRAIPNDOSA-N 2 1 299.418 2.339 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnc3ccccn23)C1 ZINC000657182873 414798520 /nfs/dbraw/zinc/79/85/20/414798520.db2.gz WZILOUIZRVKODJ-CQSZACIVSA-N 2 1 272.396 2.156 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)C[NH2+]C)cc1 ZINC000662966722 414813586 /nfs/dbraw/zinc/81/35/86/414813586.db2.gz UYPDIWLNQATNOH-CQSZACIVSA-N 2 1 291.439 2.256 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cnn(C(C)C)c2)CC[C@@H]1[NH3+] ZINC000220233407 414844462 /nfs/dbraw/zinc/84/44/62/414844462.db2.gz ZHDGUIGXEFCQIH-KBPBESRZSA-N 2 1 250.390 2.023 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cnn(C(C)C)c2)CC[C@@H]1[NH3+] ZINC000220233407 414844469 /nfs/dbraw/zinc/84/44/69/414844469.db2.gz ZHDGUIGXEFCQIH-KBPBESRZSA-N 2 1 250.390 2.023 20 0 CEADMP Cn1ncc(C2CCC2)c1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657313032 414853933 /nfs/dbraw/zinc/85/39/33/414853933.db2.gz GEBYXRFSVKGBJD-HUUCEWRRSA-N 2 1 288.439 2.404 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657313032 414853936 /nfs/dbraw/zinc/85/39/36/414853936.db2.gz GEBYXRFSVKGBJD-HUUCEWRRSA-N 2 1 288.439 2.404 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657313032 414853944 /nfs/dbraw/zinc/85/39/44/414853944.db2.gz GEBYXRFSVKGBJD-HUUCEWRRSA-N 2 1 288.439 2.404 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(C2CCC2)cnn1C ZINC000657318259 414857695 /nfs/dbraw/zinc/85/76/95/414857695.db2.gz HPMJGYPCAOBTTP-UHFFFAOYSA-N 2 1 287.411 2.372 20 0 CEADMP Cc1ccc(O)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000663346904 414923861 /nfs/dbraw/zinc/92/38/61/414923861.db2.gz XAGDDKMTMNMBEQ-OAHLLOKOSA-N 2 1 289.423 2.307 20 0 CEADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663346233 414925229 /nfs/dbraw/zinc/92/52/29/414925229.db2.gz RFVZZHNNNQQPIF-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663346233 414925235 /nfs/dbraw/zinc/92/52/35/414925235.db2.gz RFVZZHNNNQQPIF-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)nc1 ZINC000663347595 414925547 /nfs/dbraw/zinc/92/55/47/414925547.db2.gz PRWXXGXHYRIMRG-OAHLLOKOSA-N 2 1 259.397 2.293 20 0 CEADMP c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)nc1 ZINC000663347595 414925549 /nfs/dbraw/zinc/92/55/49/414925549.db2.gz PRWXXGXHYRIMRG-OAHLLOKOSA-N 2 1 259.397 2.293 20 0 CEADMP Cn1cccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347803 414925596 /nfs/dbraw/zinc/92/55/96/414925596.db2.gz VXXLMVHBIXBJDA-OAHLLOKOSA-N 2 1 261.413 2.237 20 0 CEADMP Cc1ccnc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660665528 414926955 /nfs/dbraw/zinc/92/69/55/414926955.db2.gz WNMFHGMDECAKCR-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP COCc1csc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000657376563 414897440 /nfs/dbraw/zinc/89/74/40/414897440.db2.gz SEPRPHPDSHNBRQ-AAEUAGOBSA-N 2 1 268.426 2.467 20 0 CEADMP COCc1csc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000657376563 414897441 /nfs/dbraw/zinc/89/74/41/414897441.db2.gz SEPRPHPDSHNBRQ-AAEUAGOBSA-N 2 1 268.426 2.467 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000653279913 414973962 /nfs/dbraw/zinc/97/39/62/414973962.db2.gz JQSGIJSCQSEFQE-RYUDHWBXSA-N 2 1 276.409 2.245 20 0 CEADMP C[NH2+]C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000663508820 414977080 /nfs/dbraw/zinc/97/70/80/414977080.db2.gz FPIAFRLDAPVIEF-UXLLHSPISA-N 2 1 275.440 2.237 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CC[NH2+]1 ZINC000663514195 414979823 /nfs/dbraw/zinc/97/98/23/414979823.db2.gz OFFTZSWWORGQME-VQHPVUNQSA-N 2 1 278.440 2.267 20 0 CEADMP Cc1cc(CO)cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)[nH+]1 ZINC000663666942 415009386 /nfs/dbraw/zinc/00/93/86/415009386.db2.gz BDYQTIREDLOIQG-HNNXBMFYSA-N 2 1 277.412 2.193 20 0 CEADMP Cc1cc(CO)cc(N(C)CC[C@@H]2CCCC[N@H+]2C)[nH+]1 ZINC000663666942 415009389 /nfs/dbraw/zinc/00/93/89/415009389.db2.gz BDYQTIREDLOIQG-HNNXBMFYSA-N 2 1 277.412 2.193 20 0 CEADMP C[NH+]1CCC([NH2+]CCc2ccnc3ccccc23)CC1 ZINC000657590168 415013849 /nfs/dbraw/zinc/01/38/49/415013849.db2.gz WKXSJEUORHMQAZ-UHFFFAOYSA-N 2 1 269.392 2.461 20 0 CEADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000654485407 414948512 /nfs/dbraw/zinc/94/85/12/414948512.db2.gz NDKFXJIAGTYMCI-CYBMUJFWSA-N 2 1 275.396 2.029 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000660776150 414969445 /nfs/dbraw/zinc/96/94/45/414969445.db2.gz HDEKBUNHWPWHPI-NVXWUHKLSA-N 2 1 293.455 2.084 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000653608874 415051547 /nfs/dbraw/zinc/05/15/47/415051547.db2.gz LHILXGZYNDMQTE-HUUCEWRRSA-N 2 1 279.428 2.082 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000653608874 415051551 /nfs/dbraw/zinc/05/15/51/415051551.db2.gz LHILXGZYNDMQTE-HUUCEWRRSA-N 2 1 279.428 2.082 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000653612946 415052585 /nfs/dbraw/zinc/05/25/85/415052585.db2.gz NTAWVTBGEVTYEK-IAGOWNOFSA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000653612946 415052591 /nfs/dbraw/zinc/05/25/91/415052591.db2.gz NTAWVTBGEVTYEK-IAGOWNOFSA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000653612946 415052597 /nfs/dbraw/zinc/05/25/97/415052597.db2.gz NTAWVTBGEVTYEK-IAGOWNOFSA-N 2 1 276.424 2.097 20 0 CEADMP Cc1cc(F)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750660 415068612 /nfs/dbraw/zinc/06/86/12/415068612.db2.gz LBYMBJBUEMHBQP-QGZVFWFLSA-N 2 1 292.398 2.477 20 0 CEADMP CC(C)(C)OCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657638366 415033770 /nfs/dbraw/zinc/03/37/70/415033770.db2.gz NVOIKWDRFGCZQH-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP COC1([C@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)CCC1 ZINC000657874740 415110679 /nfs/dbraw/zinc/11/06/79/415110679.db2.gz ZMZVTLCOEHPHFM-HNNXBMFYSA-N 2 1 296.455 2.179 20 0 CEADMP CCOC1CCC([NH2+]CC2([NH+](C)C)CCOCC2)CC1 ZINC000657880466 415112118 /nfs/dbraw/zinc/11/21/18/415112118.db2.gz CBFRGUAZGSRLMJ-UHFFFAOYSA-N 2 1 284.444 2.035 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCC12CC2 ZINC000657882389 415112130 /nfs/dbraw/zinc/11/21/30/415112130.db2.gz YXVZEVIXIBVRMJ-HUUCEWRRSA-N 2 1 266.429 2.146 20 0 CEADMP CCOC1CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000657879638 415112211 /nfs/dbraw/zinc/11/22/11/415112211.db2.gz MAMACILLWSXLQO-AQFXKWCLSA-N 2 1 298.471 2.161 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC(c2ccco2)CC1 ZINC000661161679 415115911 /nfs/dbraw/zinc/11/59/11/415115911.db2.gz VFUVSACEQSWAEO-HNNXBMFYSA-N 2 1 280.412 2.160 20 0 CEADMP Cc1cc(CO)cc(NCCC[N@@H+](C)CC(C)C)[nH+]1 ZINC000664060344 415145826 /nfs/dbraw/zinc/14/58/26/415145826.db2.gz LMIVLFYYSAZSQO-UHFFFAOYSA-N 2 1 265.401 2.272 20 0 CEADMP Cc1cc(CO)cc(NCCC[N@H+](C)CC(C)C)[nH+]1 ZINC000664060344 415145834 /nfs/dbraw/zinc/14/58/34/415145834.db2.gz LMIVLFYYSAZSQO-UHFFFAOYSA-N 2 1 265.401 2.272 20 0 CEADMP COC1([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CCC1 ZINC000657993046 415146405 /nfs/dbraw/zinc/14/64/05/415146405.db2.gz VQGWVUJABNOXJX-CABCVRRESA-N 2 1 284.444 2.035 20 0 CEADMP COC1([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCC1 ZINC000657993046 415146407 /nfs/dbraw/zinc/14/64/07/415146407.db2.gz VQGWVUJABNOXJX-CABCVRRESA-N 2 1 284.444 2.035 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CCC[NH+](CC)CC)cn1 ZINC000044494697 175182131 /nfs/dbraw/zinc/18/21/31/175182131.db2.gz IDUXBZKCVYBARS-CYBMUJFWSA-N 2 1 252.406 2.286 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000044498883 175184742 /nfs/dbraw/zinc/18/47/42/175184742.db2.gz AOIAWVQKCKZGOL-CHWSQXEVSA-N 2 1 262.401 2.038 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000044498879 175184764 /nfs/dbraw/zinc/18/47/64/175184764.db2.gz AOIAWVQKCKZGOL-OLZOCXBDSA-N 2 1 262.401 2.038 20 0 CEADMP C[C@H](COc1c(F)cccc1F)[NH2+]C1CC[NH+](C)CC1 ZINC000658178953 415254096 /nfs/dbraw/zinc/25/40/96/415254096.db2.gz ZGQQHTHILJGQSG-LLVKDONJSA-N 2 1 284.350 2.416 20 0 CEADMP CC(C)(C)OCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658188680 415254219 /nfs/dbraw/zinc/25/42/19/415254219.db2.gz SUQDIHMQSJJAMT-INIZCTEOSA-N 2 1 298.471 2.425 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)O1 ZINC000658215222 415258825 /nfs/dbraw/zinc/25/88/25/415258825.db2.gz GDGYMXDECDOVPE-DJIMGWMZSA-N 2 1 296.455 2.177 20 0 CEADMP C(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)CC1CCC1 ZINC000658220814 415259990 /nfs/dbraw/zinc/25/99/90/415259990.db2.gz ITXGDKQLRVEQGH-INIZCTEOSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@]1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(F)F ZINC000658222506 415261603 /nfs/dbraw/zinc/26/16/03/415261603.db2.gz OUIZTHWCMDDCLP-UONOGXRCSA-N 2 1 288.382 2.265 20 0 CEADMP Cc1ccncc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658122207 415221693 /nfs/dbraw/zinc/22/16/93/415221693.db2.gz DWAAURBKNHSZIH-UHFFFAOYSA-N 2 1 259.397 2.149 20 0 CEADMP Cc1ccnc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000664197245 415221998 /nfs/dbraw/zinc/22/19/98/415221998.db2.gz SSBXXNVOXKSFSK-AWEZNQCLSA-N 2 1 264.417 2.074 20 0 CEADMP Cc1ccnc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000664197245 415222004 /nfs/dbraw/zinc/22/20/04/415222004.db2.gz SSBXXNVOXKSFSK-AWEZNQCLSA-N 2 1 264.417 2.074 20 0 CEADMP CC[C@H](C[C@H](C)CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655717289 415409146 /nfs/dbraw/zinc/40/91/46/415409146.db2.gz AFWIWVCNJIDVHS-UXLLHSPISA-N 2 1 298.471 2.017 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1(C)C ZINC000655722019 415412043 /nfs/dbraw/zinc/41/20/43/415412043.db2.gz UVSDWMDPNOPWMO-OWCLPIDISA-N 2 1 296.455 2.033 20 0 CEADMP CC(C)(C)C[C@@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655735797 415420836 /nfs/dbraw/zinc/42/08/36/415420836.db2.gz YQANICMOSUASTK-HOTGVXAUSA-N 2 1 298.471 2.017 20 0 CEADMP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)O1 ZINC000655756695 415436600 /nfs/dbraw/zinc/43/66/00/415436600.db2.gz WHNGNFXDRDLPLQ-JKSUJKDBSA-N 2 1 296.455 2.177 20 0 CEADMP c1cc2c(nc[nH+]c2NCC2CC[NH+](CC3CC3)CC2)[nH]1 ZINC000664645705 415438903 /nfs/dbraw/zinc/43/89/03/415438903.db2.gz BGMXMSKDBCSHOS-UHFFFAOYSA-N 2 1 285.395 2.492 20 0 CEADMP CC1(C)SC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655766996 415446742 /nfs/dbraw/zinc/44/67/42/415446742.db2.gz WBMKSGRGOOTGJR-UONOGXRCSA-N 2 1 284.469 2.113 20 0 CEADMP CO[C@](C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000655770120 415449210 /nfs/dbraw/zinc/44/92/10/415449210.db2.gz YRFPDROEXBZSKE-IAGOWNOFSA-N 2 1 296.455 2.035 20 0 CEADMP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CC[C@H]2CCC[N@H+]2C)cn1 ZINC000661776714 415458767 /nfs/dbraw/zinc/45/87/67/415458767.db2.gz BKNWVNNITHDSLM-ZACQAIPSSA-N 2 1 290.455 2.205 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000664719751 415462246 /nfs/dbraw/zinc/46/22/46/415462246.db2.gz XKDRGQABRRNSHO-HNNXBMFYSA-N 2 1 291.439 2.313 20 0 CEADMP C[C@@H](COCC1CC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655789896 415469335 /nfs/dbraw/zinc/46/93/35/415469335.db2.gz AIBKAAHJVKYPMT-WMLDXEAASA-N 2 1 296.455 2.035 20 0 CEADMP Cc1nccn1CCC[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664867390 415504635 /nfs/dbraw/zinc/50/46/35/415504635.db2.gz RGDYUMDZPDYBJW-UHFFFAOYSA-N 2 1 287.411 2.389 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664867390 415504647 /nfs/dbraw/zinc/50/46/47/415504647.db2.gz RGDYUMDZPDYBJW-UHFFFAOYSA-N 2 1 287.411 2.389 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655848454 415514948 /nfs/dbraw/zinc/51/49/48/415514948.db2.gz JAIWNYUJPWCUIN-IAGOWNOFSA-N 2 1 279.472 2.466 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000655931943 415551629 /nfs/dbraw/zinc/55/16/29/415551629.db2.gz RBIUFBMJKACTSN-OAHLLOKOSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCOC(C2CC2)(C2CC2)C1 ZINC000661995840 415565664 /nfs/dbraw/zinc/56/56/64/415565664.db2.gz MIZMKBPUWNSMBZ-MRXNPFEDSA-N 2 1 278.440 2.362 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995840 415565668 /nfs/dbraw/zinc/56/56/68/415565668.db2.gz MIZMKBPUWNSMBZ-MRXNPFEDSA-N 2 1 278.440 2.362 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995840 415565676 /nfs/dbraw/zinc/56/56/76/415565676.db2.gz MIZMKBPUWNSMBZ-MRXNPFEDSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995840 415565683 /nfs/dbraw/zinc/56/56/83/415565683.db2.gz MIZMKBPUWNSMBZ-MRXNPFEDSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995840 415565688 /nfs/dbraw/zinc/56/56/88/415565688.db2.gz MIZMKBPUWNSMBZ-MRXNPFEDSA-N 2 1 278.440 2.362 20 0 CEADMP Cc1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)nc2c1 ZINC000656193042 415625042 /nfs/dbraw/zinc/62/50/42/415625042.db2.gz JWPRZDNZRFSVQT-VXGBXAGGSA-N 2 1 258.369 2.231 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)[nH]c2c1 ZINC000656193042 415625047 /nfs/dbraw/zinc/62/50/47/415625047.db2.gz JWPRZDNZRFSVQT-VXGBXAGGSA-N 2 1 258.369 2.231 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccn1 ZINC000665231966 415635012 /nfs/dbraw/zinc/63/50/12/415635012.db2.gz CFOKEUICTYMSLM-NEPJUHHUSA-N 2 1 256.353 2.343 20 0 CEADMP C[C@@H](CCCCO)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251295 415651620 /nfs/dbraw/zinc/65/16/20/415651620.db2.gz MDPALXBDNRBZOP-USXIJHARSA-N 2 1 276.424 2.273 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1O ZINC000665246398 415647930 /nfs/dbraw/zinc/64/79/30/415647930.db2.gz DPNWYLXQRGAOSH-NSHDSACASA-N 2 1 264.369 2.323 20 0 CEADMP C[C@@H]1CCCC[C@H]1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662147305 415657775 /nfs/dbraw/zinc/65/77/75/415657775.db2.gz DKBFGONIEMLITL-VYDXJSESSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000665268126 415661245 /nfs/dbraw/zinc/66/12/45/415661245.db2.gz IDDVEWVHJAJTMQ-IIAWOOMASA-N 2 1 265.445 2.124 20 0 CEADMP O[C@@H]1CC[N@H+](C2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000662160130 415663257 /nfs/dbraw/zinc/66/32/57/415663257.db2.gz MPVUNJFBVPBAOZ-GOSISDBHSA-N 2 1 288.435 2.150 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000665273647 415663968 /nfs/dbraw/zinc/66/39/68/415663968.db2.gz APRZAXJZTYCYSD-XIRDDKMYSA-N 2 1 275.440 2.019 20 0 CEADMP C[NH2+]C[C@H](C)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665297317 415685856 /nfs/dbraw/zinc/68/58/56/415685856.db2.gz DCUZIENLAQAZQB-UXLLHSPISA-N 2 1 275.440 2.095 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000662254406 415720532 /nfs/dbraw/zinc/72/05/32/415720532.db2.gz QGBOBSMNOIJDNX-BBRMVZONSA-N 2 1 274.408 2.332 20 0 CEADMP C[C@H]1c2ccc(F)cc2CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257994 415723105 /nfs/dbraw/zinc/72/31/05/415723105.db2.gz VWSAKZSEEGEJMY-WFASDCNBSA-N 2 1 290.382 2.266 20 0 CEADMP CC(C)C[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662257507 415723474 /nfs/dbraw/zinc/72/34/74/415723474.db2.gz PGFMCBXHUGZPTO-HUUCEWRRSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662257508 415725783 /nfs/dbraw/zinc/72/57/83/415725783.db2.gz PGFMCBXHUGZPTO-LSDHHAIUSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662263805 415728491 /nfs/dbraw/zinc/72/84/91/415728491.db2.gz NTHZXXVSAWWVAR-OAHLLOKOSA-N 3 1 287.451 2.106 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662263805 415728497 /nfs/dbraw/zinc/72/84/97/415728497.db2.gz NTHZXXVSAWWVAR-OAHLLOKOSA-N 3 1 287.451 2.106 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662263805 415728500 /nfs/dbraw/zinc/72/85/00/415728500.db2.gz NTHZXXVSAWWVAR-OAHLLOKOSA-N 3 1 287.451 2.106 20 0 CEADMP CC[N@H+](C)C[C@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662263805 415728508 /nfs/dbraw/zinc/72/85/08/415728508.db2.gz NTHZXXVSAWWVAR-OAHLLOKOSA-N 2 1 287.451 2.106 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662263805 415728514 /nfs/dbraw/zinc/72/85/14/415728514.db2.gz NTHZXXVSAWWVAR-OAHLLOKOSA-N 2 1 287.451 2.106 20 0 CEADMP CC[N@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000656476712 415733144 /nfs/dbraw/zinc/73/31/44/415733144.db2.gz RHYUYJROILMEHG-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000656476712 415733146 /nfs/dbraw/zinc/73/31/46/415733146.db2.gz RHYUYJROILMEHG-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000656476712 415733151 /nfs/dbraw/zinc/73/31/51/415733151.db2.gz RHYUYJROILMEHG-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1ccc2c(c1)OC(F)(F)O2 ZINC000662266353 415733564 /nfs/dbraw/zinc/73/35/64/415733564.db2.gz WOPHVZYDJVGCGZ-JQWIXIFHSA-N 2 1 298.333 2.220 20 0 CEADMP c1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c2c(c1)C[NH2+]CC2 ZINC000662236533 415702091 /nfs/dbraw/zinc/70/20/91/415702091.db2.gz ZSJZUARXTAKCFL-UHFFFAOYSA-N 3 1 285.435 2.049 20 0 CEADMP c1cc(CN(C2CC2)C2CC[NH2+]CC2)c2c(c1)C[NH2+]CC2 ZINC000662236533 415702095 /nfs/dbraw/zinc/70/20/95/415702095.db2.gz ZSJZUARXTAKCFL-UHFFFAOYSA-N 2 1 285.435 2.049 20 0 CEADMP C[C@@](C[NH3+])([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)C1CC1 ZINC000662246657 415708340 /nfs/dbraw/zinc/70/83/40/415708340.db2.gz AJEUZVZBRGXLGY-AWEZNQCLSA-N 2 1 298.333 2.268 20 0 CEADMP C[N@@H+](CCCCc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251178 415714212 /nfs/dbraw/zinc/71/42/12/415714212.db2.gz AMVWLCPRECAGMN-QGZVFWFLSA-N 2 1 288.435 2.462 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000662276838 415743639 /nfs/dbraw/zinc/74/36/39/415743639.db2.gz LNMQPDHPEIQYHV-HZPDHXFCSA-N 2 1 266.429 2.267 20 0 CEADMP CO[C@@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)C1CCC1 ZINC000662277978 415746577 /nfs/dbraw/zinc/74/65/77/415746577.db2.gz VQZGRALDJDBBSI-CABCVRRESA-N 2 1 254.418 2.299 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1ccc2c(c1)OC(F)(F)O2 ZINC000662282518 415747500 /nfs/dbraw/zinc/74/75/00/415747500.db2.gz BBVJDXKZJDVSHH-ZYHUDNBSSA-N 2 1 298.333 2.362 20 0 CEADMP [NH3+]CCC[N@@H+](CCO[C@@H]1CC1(F)F)Cc1ccccc1 ZINC000662270624 415736006 /nfs/dbraw/zinc/73/60/06/415736006.db2.gz BDVZXIXGAPCMFH-CQSZACIVSA-N 2 1 284.350 2.262 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662271996 415738658 /nfs/dbraw/zinc/73/86/58/415738658.db2.gz AYHDMIBBSZLCOS-JKSUJKDBSA-N 2 1 290.455 2.064 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662271996 415738663 /nfs/dbraw/zinc/73/86/63/415738663.db2.gz AYHDMIBBSZLCOS-JKSUJKDBSA-N 3 1 290.455 2.064 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662271996 415738668 /nfs/dbraw/zinc/73/86/68/415738668.db2.gz AYHDMIBBSZLCOS-JKSUJKDBSA-N 3 1 290.455 2.064 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@H]1CC[NH3+])C1CCCC1 ZINC000662273153 415738813 /nfs/dbraw/zinc/73/88/13/415738813.db2.gz LVJBZUJJXSBCLZ-LSDHHAIUSA-N 2 1 254.418 2.395 20 0 CEADMP Cc1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)nc(C)n1 ZINC000662274000 415738907 /nfs/dbraw/zinc/73/89/07/415738907.db2.gz RAWPIVVBDCNXPI-UHFFFAOYSA-N 2 1 276.428 2.434 20 0 CEADMP CO[C@@H](C[N@@H+]1CC2CC1(C[NH3+])C2)C1CCCCC1 ZINC000662305296 415766863 /nfs/dbraw/zinc/76/68/63/415766863.db2.gz HLGKUZPRLAKFQR-BLZCZZARSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]1CCCC[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000104140392 287317401 /nfs/dbraw/zinc/31/74/01/287317401.db2.gz XUUSCSZNPMJDNC-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP CCC1(CC)CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662309114 415771119 /nfs/dbraw/zinc/77/11/19/415771119.db2.gz JCMZWJIBJJFLQL-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000662314409 415773293 /nfs/dbraw/zinc/77/32/93/415773293.db2.gz OYOOQWRYMPMZPW-KGLIPLIRSA-N 2 1 274.408 2.332 20 0 CEADMP CN(c1ccccc1)[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000662315789 415775390 /nfs/dbraw/zinc/77/53/90/415775390.db2.gz HGGSUYAQOFVXFT-WBVHZDCISA-N 2 1 273.424 2.197 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662318489 415777121 /nfs/dbraw/zinc/77/71/21/415777121.db2.gz AKYLMUIPPWLCQL-BFHYXJOUSA-N 2 1 252.402 2.160 20 0 CEADMP CO[C@@H](C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C1CCC1 ZINC000662284065 415751283 /nfs/dbraw/zinc/75/12/83/415751283.db2.gz SQWVRLYABDNXHW-HIFRSBDPSA-N 2 1 266.429 2.266 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293169 415755751 /nfs/dbraw/zinc/75/57/51/415755751.db2.gz KFMPOZWDGAXVOA-SFHVURJKSA-N 3 1 293.499 2.478 20 0 CEADMP CC[C@@H](C)[N@H+](CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000662290201 415757279 /nfs/dbraw/zinc/75/72/79/415757279.db2.gz MWWHBYDJUINSLX-KBMXLJTQSA-N 2 1 264.413 2.038 20 0 CEADMP CC[C@@H](C)[N@@H+](CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000662290201 415757285 /nfs/dbraw/zinc/75/72/85/415757285.db2.gz MWWHBYDJUINSLX-KBMXLJTQSA-N 2 1 264.413 2.038 20 0 CEADMP C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)C1CC[NH2+]CC1 ZINC000662295231 415758653 /nfs/dbraw/zinc/75/86/53/415758653.db2.gz UKKQYLOUNUBRED-QGZVFWFLSA-N 3 1 279.472 2.088 20 0 CEADMP COCC[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293719 415758888 /nfs/dbraw/zinc/75/88/88/415758888.db2.gz MLRXCHDHIBOUOL-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC000659989828 415832642 /nfs/dbraw/zinc/83/26/42/415832642.db2.gz UNJPQIGDPFKSIY-GFCCVEGCSA-N 2 1 263.385 2.326 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](OC)C2CCC2)C1 ZINC000659989814 415833272 /nfs/dbraw/zinc/83/32/72/415833272.db2.gz UIXBLDUOAYLPCS-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000660009850 415847777 /nfs/dbraw/zinc/84/77/77/415847777.db2.gz BVUCKINGKKRQSX-XMTFNYHQSA-N 2 1 293.499 2.380 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000660009850 415847781 /nfs/dbraw/zinc/84/77/81/415847781.db2.gz BVUCKINGKKRQSX-XMTFNYHQSA-N 2 1 293.499 2.380 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000660009850 415847786 /nfs/dbraw/zinc/84/77/86/415847786.db2.gz BVUCKINGKKRQSX-XMTFNYHQSA-N 2 1 293.499 2.380 20 0 CEADMP CC(C)=CCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325768 415780959 /nfs/dbraw/zinc/78/09/59/415780959.db2.gz JSBSRUWXHUFZBV-HNNXBMFYSA-N 2 1 254.418 2.385 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662323495 415781163 /nfs/dbraw/zinc/78/11/63/415781163.db2.gz RIFKFSUWUIWYCL-HZPDHXFCSA-N 2 1 268.445 2.249 20 0 CEADMP FC(F)(F)C[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000662325698 415782449 /nfs/dbraw/zinc/78/24/49/415782449.db2.gz IGMDDCSLPSFKGR-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000662325698 415782454 /nfs/dbraw/zinc/78/24/54/415782454.db2.gz IGMDDCSLPSFKGR-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000662325697 415782858 /nfs/dbraw/zinc/78/28/58/415782858.db2.gz IGMDDCSLPSFKGR-NWDGAFQWSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000662325697 415782862 /nfs/dbraw/zinc/78/28/62/415782862.db2.gz IGMDDCSLPSFKGR-NWDGAFQWSA-N 2 1 280.334 2.029 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C[C@H]2CC2(C)C)CC1 ZINC000662345655 415793085 /nfs/dbraw/zinc/79/30/85/415793085.db2.gz KJFQUMZCCPDLAM-MRXNPFEDSA-N 2 1 281.488 2.380 20 0 CEADMP FC1(F)C[C@H]1OCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659955874 415806647 /nfs/dbraw/zinc/80/66/47/415806647.db2.gz FIBLNUOZYDSPTM-ZIAGYGMSSA-N 2 1 288.382 2.218 20 0 CEADMP FC1(F)C[C@H]1OCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659955874 415806652 /nfs/dbraw/zinc/80/66/52/415806652.db2.gz FIBLNUOZYDSPTM-ZIAGYGMSSA-N 2 1 288.382 2.218 20 0 CEADMP CC1(C)C[C@H]([N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CO1 ZINC000659957395 415807072 /nfs/dbraw/zinc/80/70/72/415807072.db2.gz RDLRWSXYVVPMEB-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000659957904 415807147 /nfs/dbraw/zinc/80/71/47/415807147.db2.gz YVIHWGHUNJXDQB-SJORKVTESA-N 2 1 298.471 2.111 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000659957904 415807156 /nfs/dbraw/zinc/80/71/56/415807156.db2.gz YVIHWGHUNJXDQB-SJORKVTESA-N 2 1 298.471 2.111 20 0 CEADMP CO[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCC1 ZINC000659983006 415825256 /nfs/dbraw/zinc/82/52/56/415825256.db2.gz BJGQTSGJKAMKDD-AEGPPILISA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCC1 ZINC000659983006 415825263 /nfs/dbraw/zinc/82/52/63/415825263.db2.gz BJGQTSGJKAMKDD-AEGPPILISA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCC1 ZINC000659983006 415825267 /nfs/dbraw/zinc/82/52/67/415825267.db2.gz BJGQTSGJKAMKDD-AEGPPILISA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCC1 ZINC000659983006 415825272 /nfs/dbraw/zinc/82/52/72/415825272.db2.gz BJGQTSGJKAMKDD-AEGPPILISA-N 2 1 254.418 2.216 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000662538377 415877598 /nfs/dbraw/zinc/87/75/98/415877598.db2.gz XPLAYCURVZMDLN-LBPRGKRZSA-N 2 1 278.400 2.097 20 0 CEADMP Cc1[nH+]ccn1CCCCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662472659 415855919 /nfs/dbraw/zinc/85/59/19/415855919.db2.gz COVGQZDBFNLZTG-UHFFFAOYSA-N 2 1 298.390 2.005 20 0 CEADMP COc1cc(C)c(C[NH2+]CC2([NH3+])CCCC2)cc1OC ZINC000656788386 415860841 /nfs/dbraw/zinc/86/08/41/415860841.db2.gz MMLWFLCMOAFRLW-UHFFFAOYSA-N 2 1 278.396 2.373 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC1([NH3+])CCCC1 ZINC000656789492 415863585 /nfs/dbraw/zinc/86/35/85/415863585.db2.gz OXDKEVUIWYJBPS-WBVHZDCISA-N 2 1 287.451 2.368 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000656789492 415863588 /nfs/dbraw/zinc/86/35/88/415863588.db2.gz OXDKEVUIWYJBPS-WBVHZDCISA-N 2 1 287.451 2.368 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000656789350 415864620 /nfs/dbraw/zinc/86/46/20/415864620.db2.gz NHGHJBGPEOBNJR-JOCBIADPSA-N 3 1 287.451 2.110 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C[NH3+])CC(C)C)[C@@H](C)C1 ZINC000662746096 415951454 /nfs/dbraw/zinc/95/14/54/415951454.db2.gz QKHHDGBNYQRYDU-JYJNAYRXSA-N 2 1 297.487 2.186 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@H]2CCC[C@H]2[NH3+])C1 ZINC000340124870 287347374 /nfs/dbraw/zinc/34/73/74/287347374.db2.gz HKQIDMSBRSVJJQ-BZUAXINKSA-N 2 1 295.471 2.132 20 0 CEADMP CC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000567227616 299043274 /nfs/dbraw/zinc/04/32/74/299043274.db2.gz SUJAIMCVRBZQIX-INIZCTEOSA-N 2 1 264.413 2.387 20 0 CEADMP CCn1cncc1C[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000417932699 227223133 /nfs/dbraw/zinc/22/31/33/227223133.db2.gz MZQDZASRNHGYNR-UHFFFAOYSA-N 2 1 299.422 2.365 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CCO)C1CCCCC1 ZINC000355008088 227307261 /nfs/dbraw/zinc/30/72/61/227307261.db2.gz CWXOBLDCLPTBFR-HNNXBMFYSA-N 2 1 265.401 2.112 20 0 CEADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192934763 227398104 /nfs/dbraw/zinc/39/81/04/227398104.db2.gz QPSVXGBUZQBLEH-QGZVFWFLSA-N 2 1 298.434 2.340 20 0 CEADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192934763 227398107 /nfs/dbraw/zinc/39/81/07/227398107.db2.gz QPSVXGBUZQBLEH-QGZVFWFLSA-N 2 1 298.434 2.340 20 0 CEADMP CCc1noc(C2CCC([NH2+]C[C@@H]3CCCC[NH2+]3)CC2)n1 ZINC000666770121 419425751 /nfs/dbraw/zinc/42/57/51/419425751.db2.gz LLHALSRQTRVXCS-RUXDESIVSA-N 2 1 292.427 2.390 20 0 CEADMP COc1ccc(OC)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666998403 419507774 /nfs/dbraw/zinc/50/77/74/419507774.db2.gz RLFVMRZXUBDITC-AWEZNQCLSA-N 2 1 290.407 2.468 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc(OC)c1 ZINC000666999415 419508026 /nfs/dbraw/zinc/50/80/26/419508026.db2.gz FTCZTWDBHUBEHC-AWEZNQCLSA-N 2 1 290.407 2.468 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000666693923 419778312 /nfs/dbraw/zinc/77/83/12/419778312.db2.gz GRBLYPRLZRRSQH-JKSUJKDBSA-N 2 1 261.413 2.319 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000666693923 419778320 /nfs/dbraw/zinc/77/83/20/419778320.db2.gz GRBLYPRLZRRSQH-JKSUJKDBSA-N 2 1 261.413 2.319 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667853885 419828213 /nfs/dbraw/zinc/82/82/13/419828213.db2.gz RWDUOOZNIAVEMJ-IXDOHACOSA-N 2 1 279.472 2.038 20 0 CEADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000517758078 260220398 /nfs/dbraw/zinc/22/03/98/260220398.db2.gz YMBZDFUZZOPXHJ-HOTGVXAUSA-N 2 1 280.456 2.415 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CCCC23CCC3)CCOCC1 ZINC000449152272 260258548 /nfs/dbraw/zinc/25/85/48/260258548.db2.gz DIUSRZHXZZKGPQ-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCC[N@H+]1C ZINC000427469340 260744209 /nfs/dbraw/zinc/74/42/09/260744209.db2.gz LMWMGWYNNIIAAV-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cccc(CC[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)c1 ZINC000449029130 261111434 /nfs/dbraw/zinc/11/14/34/261111434.db2.gz QBCKAMVQQKAXAD-INIZCTEOSA-N 2 1 290.451 2.315 20 0 CEADMP Cc1cccc(CC[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)c1 ZINC000449029130 261111436 /nfs/dbraw/zinc/11/14/36/261111436.db2.gz QBCKAMVQQKAXAD-INIZCTEOSA-N 2 1 290.451 2.315 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428036142 261198220 /nfs/dbraw/zinc/19/82/20/261198220.db2.gz WOAWARDYFKWIKM-YOEHRIQHSA-N 2 1 290.407 2.148 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)Cc2ccccc2)C[C@H]1C ZINC000425428365 264316081 /nfs/dbraw/zinc/31/60/81/264316081.db2.gz WLPUIMGKVVDIOY-NXHRZFHOSA-N 2 1 290.451 2.395 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)Cc2ccccc2)C[C@H]1C ZINC000425428365 264316083 /nfs/dbraw/zinc/31/60/83/264316083.db2.gz WLPUIMGKVVDIOY-NXHRZFHOSA-N 2 1 290.451 2.395 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2)C[C@H]1C ZINC000425428365 264316085 /nfs/dbraw/zinc/31/60/85/264316085.db2.gz WLPUIMGKVVDIOY-NXHRZFHOSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)CN(C)C(=O)OC(C)(C)C ZINC000226321195 270310004 /nfs/dbraw/zinc/31/00/04/270310004.db2.gz TUYDGOZBHMKOJP-ZDUSSCGKSA-N 2 1 299.459 2.173 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000259059921 270329535 /nfs/dbraw/zinc/32/95/35/270329535.db2.gz QDABIYAPOYFGQR-NEPJUHHUSA-N 2 1 254.761 2.318 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(C)(C)[NH3+] ZINC000398081328 270355499 /nfs/dbraw/zinc/35/54/99/270355499.db2.gz BCSMAKYMEXQBAA-HOCLYGCPSA-N 2 1 275.440 2.224 20 0 CEADMP COCC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccs1 ZINC000420315313 270514512 /nfs/dbraw/zinc/51/45/12/270514512.db2.gz LPHRKEFGTBBYFD-CYBMUJFWSA-N 2 1 268.426 2.196 20 0 CEADMP C[C@H](c1cccnc1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330915 270520473 /nfs/dbraw/zinc/52/04/73/270520473.db2.gz QGPVMBJWGUNEJT-FVQBIDKESA-N 2 1 259.397 2.464 20 0 CEADMP CCC[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1nnc2ccccn21 ZINC000422734354 270745588 /nfs/dbraw/zinc/74/55/88/270745588.db2.gz COYATARXFSZAPG-IHRRRGAJSA-N 2 1 287.411 2.158 20 0 CEADMP CCC(CC)c1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])on1 ZINC000422792228 270771348 /nfs/dbraw/zinc/77/13/48/270771348.db2.gz VUAJKLREWMJIQV-TUKIKUTGSA-N 2 1 295.427 2.420 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422998855 270815831 /nfs/dbraw/zinc/81/58/31/270815831.db2.gz RFASBHNJVRXEFF-JKSUJKDBSA-N 3 1 269.477 2.462 20 0 CEADMP N[C@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423089957 270834006 /nfs/dbraw/zinc/83/40/06/270834006.db2.gz UIBSASSKNJLZQP-JKSUJKDBSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@H]([NH2+]C[C@H](CO)CC1CCCC1)c1c[nH+]ccc1N ZINC000423095572 270835335 /nfs/dbraw/zinc/83/53/35/270835335.db2.gz FNHPBTQIRMWPFC-GXTWGEPZSA-N 2 1 277.412 2.334 20 0 CEADMP C[N@@H+]1CC[C@@H](NCC(F)(F)C[NH3+])C[C@H]1c1ccccc1 ZINC000423344599 270901596 /nfs/dbraw/zinc/90/15/96/270901596.db2.gz NDPXYIGDXPGDHD-KGLIPLIRSA-N 2 1 283.366 2.006 20 0 CEADMP C[N@H+]1CC[C@@H](NCC(F)(F)C[NH3+])C[C@H]1c1ccccc1 ZINC000423344599 270901597 /nfs/dbraw/zinc/90/15/97/270901597.db2.gz NDPXYIGDXPGDHD-KGLIPLIRSA-N 2 1 283.366 2.006 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423365833 270905392 /nfs/dbraw/zinc/90/53/92/270905392.db2.gz BYXPQWYDXAOHFC-BTFPBAQTSA-N 2 1 264.413 2.064 20 0 CEADMP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423484639 270916359 /nfs/dbraw/zinc/91/63/59/270916359.db2.gz AFAZRBSIIDHEBJ-CVEARBPZSA-N 2 1 262.397 2.496 20 0 CEADMP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)CO2 ZINC000423570720 270926154 /nfs/dbraw/zinc/92/61/54/270926154.db2.gz XAKWVCUKECUWCO-CABCVRRESA-N 2 1 260.381 2.112 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000424270488 271037961 /nfs/dbraw/zinc/03/79/61/271037961.db2.gz QOVKTRMXHPZFKF-BCLQGDPASA-N 2 1 296.455 2.428 20 0 CEADMP O[C@@H]1CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000424335018 271047399 /nfs/dbraw/zinc/04/73/99/271047399.db2.gz WGDMJXCMZQWAJA-UYTYNIKBSA-N 2 1 286.419 2.295 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)n1C ZINC000425321545 271156212 /nfs/dbraw/zinc/15/62/12/271156212.db2.gz HLBXVWKBNJLGCC-AWEZNQCLSA-N 2 1 273.384 2.151 20 0 CEADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CCC(F)(F)F ZINC000426062399 271196096 /nfs/dbraw/zinc/19/60/96/271196096.db2.gz PKSOVRNYORIEIF-QWHCGFSZSA-N 2 1 295.393 2.333 20 0 CEADMP CC(C)c1nnc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000426288364 271209634 /nfs/dbraw/zinc/20/96/34/271209634.db2.gz ITLYBNDDPKSPNZ-NEPJUHHUSA-N 2 1 282.457 2.134 20 0 CEADMP COCC(C)(C)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000426409404 271219666 /nfs/dbraw/zinc/21/96/66/271219666.db2.gz DYHKPOOSBODLGP-UHFFFAOYSA-N 2 1 279.428 2.347 20 0 CEADMP CC(C)OC1CC([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000428261057 271251235 /nfs/dbraw/zinc/25/12/35/271251235.db2.gz CBGDTOIIEAQMFU-UHFFFAOYSA-N 2 1 254.418 2.406 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000429495451 271335121 /nfs/dbraw/zinc/33/51/21/271335121.db2.gz WBDZOCIRVDZYGA-BBRMVZONSA-N 2 1 289.423 2.197 20 0 CEADMP C[C@H](NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000430553548 271389025 /nfs/dbraw/zinc/38/90/25/271389025.db2.gz DDYJSZSEENEDTE-KBPBESRZSA-N 2 1 291.439 2.169 20 0 CEADMP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000430553548 271389028 /nfs/dbraw/zinc/38/90/28/271389028.db2.gz DDYJSZSEENEDTE-KBPBESRZSA-N 2 1 291.439 2.169 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000430569003 271393309 /nfs/dbraw/zinc/39/33/09/271393309.db2.gz DMLWEXDYLNMWHW-QWHCGFSZSA-N 2 1 266.360 2.264 20 0 CEADMP Cc1ccccc1OCCC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430580056 271393799 /nfs/dbraw/zinc/39/37/99/271393799.db2.gz HDMIETQDTHTAIT-MRXNPFEDSA-N 2 1 262.397 2.481 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430587771 271395701 /nfs/dbraw/zinc/39/57/01/271395701.db2.gz AHMXLHBJBHEDEA-TZMCWYRMSA-N 2 1 284.407 2.497 20 0 CEADMP COc1cccc(C[N@H+](C[C@H](C)[NH3+])C2CCC(O)CC2)c1 ZINC000442665080 271822631 /nfs/dbraw/zinc/82/26/31/271822631.db2.gz NVHKSLPNGRZZDZ-JEYLPNPQSA-N 2 1 292.423 2.148 20 0 CEADMP COc1cccc(C[N@@H+](C[C@H](C)[NH3+])C2CCC(O)CC2)c1 ZINC000442665080 271822634 /nfs/dbraw/zinc/82/26/34/271822634.db2.gz NVHKSLPNGRZZDZ-JEYLPNPQSA-N 2 1 292.423 2.148 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCc3occc32)CC1(C)C ZINC000442881278 271839706 /nfs/dbraw/zinc/83/97/06/271839706.db2.gz ZDPMPLRYIFGMMB-OAHLLOKOSA-N 2 1 291.439 2.273 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)[NH+](C)C ZINC000247222185 280323315 /nfs/dbraw/zinc/32/33/15/280323315.db2.gz XSIJPIKMDDZQLF-SNPRPXQTSA-N 2 1 256.434 2.367 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415091048 274500219 /nfs/dbraw/zinc/50/02/19/274500219.db2.gz YQRWLNWQRXRODS-OIISXLGYSA-N 2 1 284.407 2.355 20 0 CEADMP O[C@@H](C[NH2+][C@@H]1CCc2ccc(Cl)cc21)C[NH+]1CCCC1 ZINC000343099312 275052297 /nfs/dbraw/zinc/05/22/97/275052297.db2.gz CRMJOGUKMYIAFF-GOEBONIOSA-N 2 1 294.826 2.374 20 0 CEADMP C(C[NH+]1CCCC1)C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000362176677 275390890 /nfs/dbraw/zinc/39/08/90/275390890.db2.gz GEVOPQXSRKSEIN-LSDHHAIUSA-N 2 1 252.402 2.116 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000353971523 276008884 /nfs/dbraw/zinc/00/88/84/276008884.db2.gz KOGMMXUINQKWOO-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000353971523 276008885 /nfs/dbraw/zinc/00/88/85/276008885.db2.gz KOGMMXUINQKWOO-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cnn(C(C)C)c3C2)CC1 ZINC000357641230 276152110 /nfs/dbraw/zinc/15/21/10/276152110.db2.gz HKYWEHRTXGOSCI-INIZCTEOSA-N 2 1 290.455 2.395 20 0 CEADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000305101248 276213379 /nfs/dbraw/zinc/21/33/79/276213379.db2.gz BJZQBORORUASQU-VHDGCEQUSA-N 2 1 256.434 2.103 20 0 CEADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000361804199 276219347 /nfs/dbraw/zinc/21/93/47/276219347.db2.gz LMGUAMLBJPSPFH-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)[C@H](C)C1 ZINC000154081866 276228782 /nfs/dbraw/zinc/22/87/82/276228782.db2.gz ZYOFEEAWCVQXNO-ILXRZTDVSA-N 2 1 279.428 2.202 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)[C@H](C)C1 ZINC000154081866 276228784 /nfs/dbraw/zinc/22/87/84/276228784.db2.gz ZYOFEEAWCVQXNO-ILXRZTDVSA-N 2 1 279.428 2.202 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@@H](C[NH3+])C2CCCC2)CC1 ZINC000415065193 276274564 /nfs/dbraw/zinc/27/45/64/276274564.db2.gz MGFLVQBVABDKRR-NRXISQOPSA-N 2 1 282.428 2.215 20 0 CEADMP CCOC(=O)[C@H](CC)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000368533553 276292168 /nfs/dbraw/zinc/29/21/68/276292168.db2.gz DQWCGQMMQZTIPS-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC(C)(C)O2)C1 ZINC000248575199 276307829 /nfs/dbraw/zinc/30/78/29/276307829.db2.gz OSZFYZGXOMABDG-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000248575199 276307831 /nfs/dbraw/zinc/30/78/31/276307831.db2.gz OSZFYZGXOMABDG-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000248575199 276307832 /nfs/dbraw/zinc/30/78/32/276307832.db2.gz OSZFYZGXOMABDG-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP C([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@H]1CCSC1 ZINC000365973948 276813788 /nfs/dbraw/zinc/81/37/88/276813788.db2.gz WYILTOZOXZICRE-OAHLLOKOSA-N 2 1 298.496 2.364 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCOC[C@@H](C2CCC2)C1 ZINC000366497000 277060849 /nfs/dbraw/zinc/06/08/49/277060849.db2.gz KZULXRKCRAQSFR-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000366497000 277060850 /nfs/dbraw/zinc/06/08/50/277060850.db2.gz KZULXRKCRAQSFR-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000366497000 277060852 /nfs/dbraw/zinc/06/08/52/277060852.db2.gz KZULXRKCRAQSFR-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346819536 277089761 /nfs/dbraw/zinc/08/97/61/277089761.db2.gz HMHLFBPKVGGTRV-BPUTZDHNSA-N 2 1 287.407 2.204 20 0 CEADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000377627904 277107247 /nfs/dbraw/zinc/10/72/47/277107247.db2.gz PQXBDXHCHCEQNN-MSOLQXFVSA-N 2 1 291.483 2.302 20 0 CEADMP CC(C)(C)[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250684199 277152570 /nfs/dbraw/zinc/15/25/70/277152570.db2.gz FWYRYZGYMQFIJC-HOTGVXAUSA-N 2 1 279.472 2.466 20 0 CEADMP CC(C)(C)[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000336807014 277228034 /nfs/dbraw/zinc/22/80/34/277228034.db2.gz FBIYUEJORYGQDT-GJZGRUSLSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000261924178 277286257 /nfs/dbraw/zinc/28/62/57/277286257.db2.gz KWUHTKLEYXUVBY-OAHLLOKOSA-N 2 1 298.434 2.437 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)[C@@H]1C ZINC000353919163 277325614 /nfs/dbraw/zinc/32/56/14/277325614.db2.gz WUSYCKNKAPQUDS-QLFBSQMISA-N 2 1 296.455 2.428 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000350454830 278167025 /nfs/dbraw/zinc/16/70/25/278167025.db2.gz FZLVXKWSUVMDFQ-OIISXLGYSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000350454830 278167027 /nfs/dbraw/zinc/16/70/27/278167027.db2.gz FZLVXKWSUVMDFQ-OIISXLGYSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H](CC1CCOCC1)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000350454830 278167029 /nfs/dbraw/zinc/16/70/29/278167029.db2.gz FZLVXKWSUVMDFQ-OIISXLGYSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H](CC1CCOCC1)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000350454830 278167031 /nfs/dbraw/zinc/16/70/31/278167031.db2.gz FZLVXKWSUVMDFQ-OIISXLGYSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000414870814 278181619 /nfs/dbraw/zinc/18/16/19/278181619.db2.gz COONNVYPWMUSTM-FMKPAKJESA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415044905 278221062 /nfs/dbraw/zinc/22/10/62/278221062.db2.gz CCQVSRUQSXUMNB-GOEBONIOSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000358254445 278266220 /nfs/dbraw/zinc/26/62/20/278266220.db2.gz PPDHKXOYKUWRHC-MDGVNJKQSA-N 2 1 292.467 2.248 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000358254445 278266221 /nfs/dbraw/zinc/26/62/21/278266221.db2.gz PPDHKXOYKUWRHC-MDGVNJKQSA-N 2 1 292.467 2.248 20 0 CEADMP CC1(C)CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000346552068 278282598 /nfs/dbraw/zinc/28/25/98/278282598.db2.gz IBIOUMLYJKMOHU-GJZGRUSLSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H](C)C1CCCCC1 ZINC000154311218 278353385 /nfs/dbraw/zinc/35/33/85/278353385.db2.gz WIRZDRWKNHLVEK-GUTXKFCHSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccccc2N(C)C)C[C@H]1C[NH3+] ZINC000415118648 278368434 /nfs/dbraw/zinc/36/84/34/278368434.db2.gz DUNAUOSAIPZBEF-DZGCQCFKSA-N 2 1 261.413 2.169 20 0 CEADMP CC1(C)C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C(C)(C)O1 ZINC000305112225 278368892 /nfs/dbraw/zinc/36/88/92/278368892.db2.gz GLIXUQSPFYPGBZ-LSDHHAIUSA-N 2 1 298.471 2.159 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000162072393 279124755 /nfs/dbraw/zinc/12/47/55/279124755.db2.gz YSYNZPPGAYBDIV-HOTGVXAUSA-N 2 1 267.461 2.134 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000414707213 279179729 /nfs/dbraw/zinc/17/97/29/279179729.db2.gz YPTHYEFHDZFFEG-RDJZCZTQSA-N 2 1 290.455 2.134 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)CC1 ZINC000355357791 279262633 /nfs/dbraw/zinc/26/26/33/279262633.db2.gz OTYLTDIVTYENGY-MRVWCRGKSA-N 2 1 254.418 2.120 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000359153833 279306090 /nfs/dbraw/zinc/30/60/90/279306090.db2.gz LZIVXKWQSYSQHS-RBSFLKMASA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)N(CC[NH+]1CCCCCC1)C(=O)C[N@@H+](C)C(C)C ZINC000345985407 279350383 /nfs/dbraw/zinc/35/03/83/279350383.db2.gz GEIRNHPWNPAVAT-UHFFFAOYSA-N 2 1 297.487 2.440 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000141226800 280075015 /nfs/dbraw/zinc/07/50/15/280075015.db2.gz WLGUXOUZGAMVOM-AWEZNQCLSA-N 2 1 297.443 2.070 20 0 CEADMP CC(C)[C@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)[NH+]1CCCCC1 ZINC000356909714 280150305 /nfs/dbraw/zinc/15/03/05/280150305.db2.gz VWFIKSHPRLYPGC-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)[NH+]1CCCCC1 ZINC000356909714 280150307 /nfs/dbraw/zinc/15/03/07/280150307.db2.gz VWFIKSHPRLYPGC-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(C(C)C)C(C)C)[C@@H](C)C1 ZINC000245413631 280238127 /nfs/dbraw/zinc/23/81/27/280238127.db2.gz BPFDAGMDBHWDIO-HOTGVXAUSA-N 2 1 297.487 2.294 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCCCCC2)[C@@H](C)C1 ZINC000245413239 280238261 /nfs/dbraw/zinc/23/82/61/280238261.db2.gz BFKDFAHECGDFHY-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCCCCC2)[C@@H](C)C1 ZINC000245413238 280238315 /nfs/dbraw/zinc/23/83/15/280238315.db2.gz BFKDFAHECGDFHY-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N(C(C)C)C(C)C)[C@@H](C)C1 ZINC000245413632 280238355 /nfs/dbraw/zinc/23/83/55/280238355.db2.gz BPFDAGMDBHWDIO-JKSUJKDBSA-N 2 1 297.487 2.294 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C[C@H](C)O1 ZINC000245583354 280251853 /nfs/dbraw/zinc/25/18/53/280251853.db2.gz IJCSMLYLFRNKJQ-CTTWBBHYSA-N 2 1 254.418 2.261 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCCCCC2)[C@@H](C)C1 ZINC000247012713 280317841 /nfs/dbraw/zinc/31/78/41/280317841.db2.gz MJIFNRCFMUQBBP-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCO2)[C@@H](C)C1 ZINC000247046194 280318951 /nfs/dbraw/zinc/31/89/51/280318951.db2.gz MZXKIMLRFWYHEV-BBWFWOEESA-N 2 1 298.471 2.282 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)C(C)(C)C)[C@H](C)C1 ZINC000247080359 280320057 /nfs/dbraw/zinc/32/00/57/280320057.db2.gz NNNKWCCKZWJBBD-HZSPNIEDSA-N 2 1 256.434 2.367 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247932418 280340770 /nfs/dbraw/zinc/34/07/70/280340770.db2.gz CENFKTOZLNGXTR-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCCC[N@@H+]2CC)[C@@H](C)C1 ZINC000247932418 280340772 /nfs/dbraw/zinc/34/07/72/280340772.db2.gz CENFKTOZLNGXTR-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCCC[N@H+]2CC)[C@@H](C)C1 ZINC000247932418 280340774 /nfs/dbraw/zinc/34/07/74/280340774.db2.gz CENFKTOZLNGXTR-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247932418 280340775 /nfs/dbraw/zinc/34/07/75/280340775.db2.gz CENFKTOZLNGXTR-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247932418 280340777 /nfs/dbraw/zinc/34/07/77/280340777.db2.gz CENFKTOZLNGXTR-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000247932416 280340787 /nfs/dbraw/zinc/34/07/87/280340787.db2.gz CENFKTOZLNGXTR-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC000247932416 280340790 /nfs/dbraw/zinc/34/07/90/280340790.db2.gz CENFKTOZLNGXTR-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC000247932416 280340791 /nfs/dbraw/zinc/34/07/91/280340791.db2.gz CENFKTOZLNGXTR-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000247932416 280340792 /nfs/dbraw/zinc/34/07/92/280340792.db2.gz CENFKTOZLNGXTR-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247932416 280340794 /nfs/dbraw/zinc/34/07/94/280340794.db2.gz CENFKTOZLNGXTR-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247885440 280340801 /nfs/dbraw/zinc/34/08/01/280340801.db2.gz CZRUJOLZYBWPKA-GJZGRUSLSA-N 2 1 255.450 2.038 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247885440 280340802 /nfs/dbraw/zinc/34/08/02/280340802.db2.gz CZRUJOLZYBWPKA-GJZGRUSLSA-N 3 1 255.450 2.038 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247885440 280340804 /nfs/dbraw/zinc/34/08/04/280340804.db2.gz CZRUJOLZYBWPKA-GJZGRUSLSA-N 3 1 255.450 2.038 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000248809730 280365426 /nfs/dbraw/zinc/36/54/26/280365426.db2.gz HNTRZOWDSGFAIM-JOCBIADPSA-N 2 1 290.451 2.217 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CCCO2)C1 ZINC000248944903 280375065 /nfs/dbraw/zinc/37/50/65/280375065.db2.gz DFUHBPBXAFXWHH-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000248944903 280375066 /nfs/dbraw/zinc/37/50/66/280375066.db2.gz DFUHBPBXAFXWHH-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000248944903 280375067 /nfs/dbraw/zinc/37/50/67/280375067.db2.gz DFUHBPBXAFXWHH-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@H]1CCCC[C@H]1O ZINC000249360650 280393779 /nfs/dbraw/zinc/39/37/79/280393779.db2.gz LRNOQYHANHEZCE-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1F ZINC000259002441 280528737 /nfs/dbraw/zinc/52/87/37/280528737.db2.gz NFQYNPSNZBPHBX-QWHCGFSZSA-N 2 1 252.333 2.194 20 0 CEADMP CC(C)([NH3+])C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000261965544 280532272 /nfs/dbraw/zinc/53/22/72/280532272.db2.gz PWPNHIUUMAZXIH-UHFFFAOYSA-N 2 1 293.386 2.214 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422894170 280951187 /nfs/dbraw/zinc/95/11/87/280951187.db2.gz SLUSCMZZOUBXJS-HOTGVXAUSA-N 2 1 288.439 2.431 20 0 CEADMP CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1nnc2n1CCCCC2 ZINC000422907469 280958294 /nfs/dbraw/zinc/95/82/94/280958294.db2.gz LHOGOIIIEWGVSS-AVGNSLFASA-N 2 1 279.432 2.171 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C12CCCCC2 ZINC000422916635 280963949 /nfs/dbraw/zinc/96/39/49/280963949.db2.gz BEDNBIOIAWJAED-HZSPNIEDSA-N 2 1 252.402 2.066 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000422973070 280981041 /nfs/dbraw/zinc/98/10/41/280981041.db2.gz BDEPZSZIIAOSEU-BZUAXINKSA-N 2 1 298.471 2.064 20 0 CEADMP Cc1ccsc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423012488 280994315 /nfs/dbraw/zinc/99/43/15/280994315.db2.gz DEMARLLJYQWDIP-ZNMIVQPWSA-N 2 1 294.464 2.346 20 0 CEADMP CCC(CC)(C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C(=O)OC ZINC000423031443 281001954 /nfs/dbraw/zinc/00/19/54/281001954.db2.gz DJBXNYOSVVNXSL-CHWSQXEVSA-N 2 1 270.417 2.086 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423050182 281010415 /nfs/dbraw/zinc/01/04/15/281010415.db2.gz LCULBORQFCOZHV-WBMJQRKESA-N 2 1 289.398 2.448 20 0 CEADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)C1C[NH2+]C1 ZINC000423052786 281012007 /nfs/dbraw/zinc/01/20/07/281012007.db2.gz REBDKTCCVFEXQU-MAUKXSAKSA-N 2 1 289.467 2.341 20 0 CEADMP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423052786 281012009 /nfs/dbraw/zinc/01/20/09/281012009.db2.gz REBDKTCCVFEXQU-MAUKXSAKSA-N 2 1 289.467 2.341 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1Cc2ccccc2N(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423061293 281015481 /nfs/dbraw/zinc/01/54/81/281015481.db2.gz QLZZXEBRFIYGCT-INMHGKMJSA-N 2 1 287.451 2.415 20 0 CEADMP CC[C@@H]([NH2+][C@@H](CO)Cc1cccc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000423061674 281016452 /nfs/dbraw/zinc/01/64/52/281016452.db2.gz REPKDVNZABHDMA-ZACQAIPSSA-N 2 1 276.424 2.019 20 0 CEADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1cc(Br)cs1 ZINC000423330198 281023673 /nfs/dbraw/zinc/02/36/73/281023673.db2.gz UBKFQTKWMUXPFR-ZETCQYMHSA-N 2 1 275.215 2.381 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000423446863 281045021 /nfs/dbraw/zinc/04/50/21/281045021.db2.gz ZFZDLLKSDKAOKU-KJWYOANISA-N 2 1 287.451 2.192 20 0 CEADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423516051 281060423 /nfs/dbraw/zinc/06/04/23/281060423.db2.gz NISIFQKHPRKQME-CJNGLKHVSA-N 2 1 262.397 2.278 20 0 CEADMP CC(C)C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000423531241 281064004 /nfs/dbraw/zinc/06/40/04/281064004.db2.gz ZRETTYLZLIDDIA-DLBZAZTESA-N 2 1 275.440 2.267 20 0 CEADMP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423723334 281082941 /nfs/dbraw/zinc/08/29/41/281082941.db2.gz FHEDUPASVOIYJO-QXSJWSMHSA-N 2 1 295.471 2.224 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423733572 281085605 /nfs/dbraw/zinc/08/56/05/281085605.db2.gz UOKPCPSCVYVRCB-QXSJWSMHSA-N 2 1 295.471 2.238 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CC3)[C@H](C)C1 ZINC000424314287 281148084 /nfs/dbraw/zinc/14/80/84/281148084.db2.gz CEGWYXUINLXPEP-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)[C@@H]1C[C@H]1C1CCC1 ZINC000424375256 281153157 /nfs/dbraw/zinc/15/31/57/281153157.db2.gz KBLQQMMFLYWCBI-WOYTXXSLSA-N 2 1 278.440 2.169 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCOC[C@H]3C)CC2)[nH+]1 ZINC000195038221 281225566 /nfs/dbraw/zinc/22/55/66/281225566.db2.gz FZYJPLVCZDYDFL-CZUORRHYSA-N 2 1 289.423 2.373 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000429568284 281245691 /nfs/dbraw/zinc/24/56/91/281245691.db2.gz IXKCWVWNJVPHQO-GASCZTMLSA-N 2 1 295.471 2.288 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000430620931 281270370 /nfs/dbraw/zinc/27/03/70/281270370.db2.gz IOYLGQBHNLPOEJ-KRWDZBQOSA-N 2 1 276.424 2.307 20 0 CEADMP C[C@@H](CC(=O)Nc1cc[nH+]c(N(C)C)c1)C1CC[NH2+]CC1 ZINC000430999706 281285772 /nfs/dbraw/zinc/28/57/72/281285772.db2.gz AGXUCBAJKDQQCF-LBPRGKRZSA-N 2 1 290.411 2.112 20 0 CEADMP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C2 ZINC000353485627 281299108 /nfs/dbraw/zinc/29/91/08/281299108.db2.gz UNVHECPFHMMRHO-FVQBIDKESA-N 2 1 274.408 2.228 20 0 CEADMP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)C2 ZINC000353485627 281299110 /nfs/dbraw/zinc/29/91/10/281299110.db2.gz UNVHECPFHMMRHO-FVQBIDKESA-N 2 1 274.408 2.228 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431854674 281322835 /nfs/dbraw/zinc/32/28/35/281322835.db2.gz PHEYMLAYCBKHKN-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000431854674 281322836 /nfs/dbraw/zinc/32/28/36/281322836.db2.gz PHEYMLAYCBKHKN-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000431854674 281322837 /nfs/dbraw/zinc/32/28/37/281322837.db2.gz PHEYMLAYCBKHKN-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+](Cc1scnc1C)[C@H]1CCC[NH2+]CC1 ZINC000435389337 281387553 /nfs/dbraw/zinc/38/75/53/281387553.db2.gz KDLLUXWWLSMQAU-LBPRGKRZSA-N 2 1 253.415 2.416 20 0 CEADMP CC[N@@H+](Cc1scnc1C)[C@H]1CCC[NH2+]CC1 ZINC000435389337 281387556 /nfs/dbraw/zinc/38/75/56/281387556.db2.gz KDLLUXWWLSMQAU-LBPRGKRZSA-N 2 1 253.415 2.416 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435393004 281388396 /nfs/dbraw/zinc/38/83/96/281388396.db2.gz DKECYETWXAZNDX-HNNXBMFYSA-N 2 1 297.402 2.441 20 0 CEADMP C[N@@H+](Cc1cccc(-n2cccn2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435445738 281390045 /nfs/dbraw/zinc/39/00/45/281390045.db2.gz GZIXOXZAOAULQT-MRXNPFEDSA-N 2 1 284.407 2.446 20 0 CEADMP C[N@H+](Cc1cccc2c1OCCO2)[C@H]1CCC[NH2+]CC1 ZINC000435439963 281390114 /nfs/dbraw/zinc/39/01/14/281390114.db2.gz XYXFLLXCRHGJMP-AWEZNQCLSA-N 2 1 276.380 2.032 20 0 CEADMP C[N@@H+](Cc1cccc2c1OCCO2)[C@H]1CCC[NH2+]CC1 ZINC000435439963 281390116 /nfs/dbraw/zinc/39/01/16/281390116.db2.gz XYXFLLXCRHGJMP-AWEZNQCLSA-N 2 1 276.380 2.032 20 0 CEADMP C[N@H+](Cc1cnn(C(C)(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435445766 281390187 /nfs/dbraw/zinc/39/01/87/281390187.db2.gz HJTLSMHJCRAUEI-AWEZNQCLSA-N 2 1 264.417 2.212 20 0 CEADMP C[N@@H+](Cc1cnn(C(C)(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435445766 281390189 /nfs/dbraw/zinc/39/01/89/281390189.db2.gz HJTLSMHJCRAUEI-AWEZNQCLSA-N 2 1 264.417 2.212 20 0 CEADMP Cn1ccnc1C[N@@H+](CC1CCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435696539 281392030 /nfs/dbraw/zinc/39/20/30/281392030.db2.gz UOMMCAGJPYKGBQ-HNNXBMFYSA-N 2 1 288.439 2.164 20 0 CEADMP C[NH2+]CCC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000435868743 281398969 /nfs/dbraw/zinc/39/89/69/281398969.db2.gz GVJJQHFEPZJOGV-UHFFFAOYSA-N 2 1 266.360 2.278 20 0 CEADMP CCc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)o1 ZINC000155144312 281425276 /nfs/dbraw/zinc/42/52/76/281425276.db2.gz GHXHZRRICMDBFP-KBPBESRZSA-N 2 1 279.428 2.129 20 0 CEADMP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000350068158 282015423 /nfs/dbraw/zinc/01/54/23/282015423.db2.gz DGIMGSSCKYPOPW-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CN(C)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCC1 ZINC000097928298 289059721 /nfs/dbraw/zinc/05/97/21/289059721.db2.gz OCRIRHQAFPTQCT-OWCLPIDISA-N 2 1 279.472 2.371 20 0 CEADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)C1CC1 ZINC000337363743 289289102 /nfs/dbraw/zinc/28/91/02/289289102.db2.gz LVHCJYLPSZQFHP-GJZGRUSLSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458261275 289904818 /nfs/dbraw/zinc/90/48/18/289904818.db2.gz ITUWAQPZQVVZGX-UHFFFAOYSA-N 2 1 286.379 2.200 20 0 CEADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(F)(F)F)C2)C1 ZINC000334377856 290004680 /nfs/dbraw/zinc/00/46/80/290004680.db2.gz XACCPWWWIXHOIQ-NSHDSACASA-N 2 1 250.308 2.357 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(F)(F)F)C2)C1 ZINC000334377856 290004682 /nfs/dbraw/zinc/00/46/82/290004682.db2.gz XACCPWWWIXHOIQ-NSHDSACASA-N 2 1 250.308 2.357 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(F)(F)F)C2)C1 ZINC000334377856 290004684 /nfs/dbraw/zinc/00/46/84/290004684.db2.gz XACCPWWWIXHOIQ-NSHDSACASA-N 2 1 250.308 2.357 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(F)(F)F)C2)C1 ZINC000334377856 290004686 /nfs/dbraw/zinc/00/46/86/290004686.db2.gz XACCPWWWIXHOIQ-NSHDSACASA-N 2 1 250.308 2.357 20 0 CEADMP CC[N@H+]1CCC[C@H](CNCc2cnc(C3CC3)nc2)C1 ZINC000459382962 290132683 /nfs/dbraw/zinc/13/26/83/290132683.db2.gz ARKHZSOCUWETIX-CYBMUJFWSA-N 2 1 274.412 2.176 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459382962 290132684 /nfs/dbraw/zinc/13/26/84/290132684.db2.gz ARKHZSOCUWETIX-CYBMUJFWSA-N 2 1 274.412 2.176 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459382962 290132686 /nfs/dbraw/zinc/13/26/86/290132686.db2.gz ARKHZSOCUWETIX-CYBMUJFWSA-N 2 1 274.412 2.176 20 0 CEADMP C[C@H]([NH2+]CCc1cn[nH]c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459405817 290139098 /nfs/dbraw/zinc/13/90/98/290139098.db2.gz NRGOSGKDLJHYNY-ZFWWWQNUSA-N 2 1 276.428 2.195 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459479815 290160354 /nfs/dbraw/zinc/16/03/54/290160354.db2.gz MNPSJSOJZZAJQL-UHFFFAOYSA-N 2 1 296.842 2.319 20 0 CEADMP OCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC2(CCC2)C1 ZINC000459502659 290165596 /nfs/dbraw/zinc/16/55/96/290165596.db2.gz KCWWPJQPGOZIKR-UHFFFAOYSA-N 2 1 278.440 2.146 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnc(C3CC3)nc2)CC1 ZINC000459521436 290170243 /nfs/dbraw/zinc/17/02/43/290170243.db2.gz SYNOHGIAFZYKTK-UHFFFAOYSA-N 2 1 286.423 2.414 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnc(C3CC3)nc2)CC1 ZINC000459521436 290170244 /nfs/dbraw/zinc/17/02/44/290170244.db2.gz SYNOHGIAFZYKTK-UHFFFAOYSA-N 2 1 286.423 2.414 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000459656151 290205943 /nfs/dbraw/zinc/20/59/43/290205943.db2.gz FPVUYZXALHROCF-CZUORRHYSA-N 2 1 272.396 2.154 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2C2CC2)[C@@H]2CCC[C@H]21 ZINC000353589443 290220134 /nfs/dbraw/zinc/22/01/34/290220134.db2.gz GLRGSPZSIPITFA-XLAORIBOSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@@H]2CCC[C@H]21 ZINC000353589443 290220137 /nfs/dbraw/zinc/22/01/37/290220137.db2.gz GLRGSPZSIPITFA-XLAORIBOSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+]2C2CC2)[C@@H]2CCC[C@H]21 ZINC000353589443 290220141 /nfs/dbraw/zinc/22/01/41/290220141.db2.gz GLRGSPZSIPITFA-XLAORIBOSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)[C@@H]2CCC[C@H]21 ZINC000353589443 290220144 /nfs/dbraw/zinc/22/01/44/290220144.db2.gz GLRGSPZSIPITFA-XLAORIBOSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)[C@@H]2CCC[C@H]21 ZINC000353589443 290220147 /nfs/dbraw/zinc/22/01/47/290220147.db2.gz GLRGSPZSIPITFA-XLAORIBOSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000459754874 290228490 /nfs/dbraw/zinc/22/84/90/290228490.db2.gz FFEZDSCNVNDCQP-SUMWQHHRSA-N 2 1 294.414 2.144 20 0 CEADMP CCC1(CC)[C@H]([NH2+]CCc2c[nH+]cn2C)[C@H](C)[C@@H]1OC ZINC000471774329 290282959 /nfs/dbraw/zinc/28/29/59/290282959.db2.gz SIBYJZVEZTYOLF-CFVMTHIKSA-N 2 1 279.428 2.392 20 0 CEADMP COCC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471849041 290288141 /nfs/dbraw/zinc/28/81/41/290288141.db2.gz RKASTGQZGVZKIB-IRXDYDNUSA-N 2 1 276.424 2.305 20 0 CEADMP CCOc1ccc(C[NH2+]CCC[NH+](C)C)cc1F ZINC000486926744 290321427 /nfs/dbraw/zinc/32/14/27/290321427.db2.gz KAJFIWBUCUQLDJ-UHFFFAOYSA-N 2 1 254.349 2.266 20 0 CEADMP C(=C\c1ccncc1)\C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000486944152 290322498 /nfs/dbraw/zinc/32/24/98/290322498.db2.gz WANXYRNRXGTNCY-UPHRSURJSA-N 2 1 257.381 2.311 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000488408906 290395739 /nfs/dbraw/zinc/39/57/39/290395739.db2.gz GCKYALWVKLUEBB-KBPBESRZSA-N 2 1 274.474 2.074 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000488429688 290398704 /nfs/dbraw/zinc/39/87/04/290398704.db2.gz MPSLMWMUMNDXIS-RHSMWYFYSA-N 2 1 274.408 2.264 20 0 CEADMP C[C@@H]1CSC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000310206759 297191479 /nfs/dbraw/zinc/19/14/79/297191479.db2.gz CZLIAYUNPSPWMK-RKFYDKJMSA-N 2 1 254.443 2.343 20 0 CEADMP C[C@@H]1CSC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000310206759 297191481 /nfs/dbraw/zinc/19/14/81/297191481.db2.gz CZLIAYUNPSPWMK-RKFYDKJMSA-N 2 1 254.443 2.343 20 0 CEADMP [NH3+]CC1CC[NH+](CC(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000530206019 298048618 /nfs/dbraw/zinc/04/86/18/298048618.db2.gz KUYBIXZPCCWLCC-UHFFFAOYSA-N 2 1 299.777 2.088 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)C2 ZINC000530216188 298052766 /nfs/dbraw/zinc/05/27/66/298052766.db2.gz NPYYIHAVCHACKI-YOEHRIQHSA-N 2 1 286.419 2.427 20 0 CEADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000530221018 298054931 /nfs/dbraw/zinc/05/49/31/298054931.db2.gz VUCUGVAUFQJLSO-RDJZCZTQSA-N 2 1 294.414 2.444 20 0 CEADMP Cc1ncccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000530220203 298055222 /nfs/dbraw/zinc/05/52/22/298055222.db2.gz MGOIKLXHYIBJKW-CXAGYDPISA-N 2 1 269.392 2.438 20 0 CEADMP C[C@H](C(=O)NCC[NH+]1CCC(C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000122250405 298153484 /nfs/dbraw/zinc/15/34/84/298153484.db2.gz BQCJLNNOWCQSGG-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000537679383 298216984 /nfs/dbraw/zinc/21/69/84/298216984.db2.gz ONBMLRBJQWNAPS-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1 ZINC000566561859 299002749 /nfs/dbraw/zinc/00/27/49/299002749.db2.gz TXSAUSTVMSRYBW-SNPRPXQTSA-N 2 1 262.372 2.471 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CSC[C@H]1CN(C)CCO1 ZINC000566560825 299003092 /nfs/dbraw/zinc/00/30/92/299003092.db2.gz KLBIPYPYNOSCSV-LSDHHAIUSA-N 2 1 286.485 2.313 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@H]1CSC[C@H]1C[NH+](C)CCO1 ZINC000566560825 299003096 /nfs/dbraw/zinc/00/30/96/299003096.db2.gz KLBIPYPYNOSCSV-LSDHHAIUSA-N 2 1 286.485 2.313 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CSC[C@H]1C[NH+](C)CCO1 ZINC000566560825 299003098 /nfs/dbraw/zinc/00/30/98/299003098.db2.gz KLBIPYPYNOSCSV-LSDHHAIUSA-N 2 1 286.485 2.313 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CSC[C@H]1C[N@H+](C)CCO1 ZINC000566560825 299003102 /nfs/dbraw/zinc/00/31/02/299003102.db2.gz KLBIPYPYNOSCSV-LSDHHAIUSA-N 2 1 286.485 2.313 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CSC[C@H]1C[N@@H+](C)CCO1 ZINC000566560825 299003107 /nfs/dbraw/zinc/00/31/07/299003107.db2.gz KLBIPYPYNOSCSV-LSDHHAIUSA-N 2 1 286.485 2.313 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000567315522 299051949 /nfs/dbraw/zinc/05/19/49/299051949.db2.gz XQRDWWSRJXNCFM-KFWWJZLASA-N 2 1 255.450 2.179 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000567315522 299051952 /nfs/dbraw/zinc/05/19/52/299051952.db2.gz XQRDWWSRJXNCFM-KFWWJZLASA-N 2 1 255.450 2.179 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC1([NH+](C)C)CCCCC1 ZINC000359599862 300218049 /nfs/dbraw/zinc/21/80/49/300218049.db2.gz UWWBIULCUKHAAR-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000357066181 303383251 /nfs/dbraw/zinc/38/32/51/303383251.db2.gz BWEUGVBGLXDQBR-CQSZACIVSA-N 2 1 268.788 2.452 20 0 CEADMP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCCc2c[nH+]cn2C)C1(C)C ZINC000516580499 313091940 /nfs/dbraw/zinc/09/19/40/313091940.db2.gz JKSVRDGNRFWKIB-IACUBPJLSA-N 2 1 265.401 2.002 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000521998023 313138354 /nfs/dbraw/zinc/13/83/54/313138354.db2.gz DDYMYLZIXKAHQW-OAHLLOKOSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000521998023 313138359 /nfs/dbraw/zinc/13/83/59/313138359.db2.gz DDYMYLZIXKAHQW-OAHLLOKOSA-N 2 1 263.385 2.083 20 0 CEADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@H]1CC12CC2 ZINC000527858863 313210918 /nfs/dbraw/zinc/21/09/18/313210918.db2.gz MKHBCCPYZQOOGT-GDBMZVCRSA-N 2 1 279.472 2.038 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC12CC2 ZINC000527858309 313211140 /nfs/dbraw/zinc/21/11/40/313211140.db2.gz JSODMZPOJALJNP-CABCVRRESA-N 2 1 278.440 2.410 20 0 CEADMP COc1cccc([C@H]2C[N@@H+](CCOCC[NH3+])CC2(C)C)c1 ZINC000530231294 313286360 /nfs/dbraw/zinc/28/63/60/313286360.db2.gz NVPVJDBOVSMIBF-MRXNPFEDSA-N 2 1 292.423 2.096 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NC4C[NH2+]C4)[C@@H]3C2)cc1 ZINC000570035733 314024097 /nfs/dbraw/zinc/02/40/97/314024097.db2.gz OTGZGYCGFNBCAX-UHOSZYNNSA-N 2 1 299.462 2.239 20 0 CEADMP Cn1ccnc1[C@@H]1CC[N@@H+](CCOCC2CCCC2)C1 ZINC000570460950 314042340 /nfs/dbraw/zinc/04/23/40/314042340.db2.gz JNHRKNHXGJFWQM-OAHLLOKOSA-N 2 1 277.412 2.416 20 0 CEADMP c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc2c1OCC2 ZINC000571283776 314082299 /nfs/dbraw/zinc/08/22/99/314082299.db2.gz CNJXCHOUHPFYDU-KRWDZBQOSA-N 2 1 272.392 2.197 20 0 CEADMP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc2c1OCC2 ZINC000571283776 314082302 /nfs/dbraw/zinc/08/23/02/314082302.db2.gz CNJXCHOUHPFYDU-KRWDZBQOSA-N 2 1 272.392 2.197 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)C1CCCC1)C1CC1 ZINC000572029474 314117830 /nfs/dbraw/zinc/11/78/30/314117830.db2.gz VGLODRVGKCSFED-OAHLLOKOSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)C1CCCC1)C1CC1 ZINC000572029474 314117833 /nfs/dbraw/zinc/11/78/33/314117833.db2.gz VGLODRVGKCSFED-OAHLLOKOSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000573383061 314154493 /nfs/dbraw/zinc/15/44/93/314154493.db2.gz GIBXHBIWEAKURA-DGCLKSJQSA-N 2 1 295.814 2.480 20 0 CEADMP CC[NH2+]CCCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000573555749 314166875 /nfs/dbraw/zinc/16/68/75/314166875.db2.gz ZMDJGZARGPYQDY-NVXWUHKLSA-N 2 1 275.440 2.239 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000576103500 314241409 /nfs/dbraw/zinc/24/14/09/314241409.db2.gz ZCMPOVYLXNWXSV-WDNDVIMCSA-N 2 1 254.418 2.406 20 0 CEADMP Cc1ccc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)c(F)c1 ZINC000576352063 314267014 /nfs/dbraw/zinc/26/70/14/314267014.db2.gz JYKHIWGEFBFLEW-UHFFFAOYSA-N 2 1 293.386 2.133 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000577518250 314386596 /nfs/dbraw/zinc/38/65/96/314386596.db2.gz SLSXWVWMZQNRPC-COPLHBTASA-N 2 1 297.830 2.185 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC[C@H]2O)CC1 ZINC000577572854 314389990 /nfs/dbraw/zinc/38/99/90/314389990.db2.gz ZNWUSBYAWAKQMC-GOEBONIOSA-N 2 1 268.445 2.342 20 0 CEADMP c1ccc(-c2ncc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cn2)cc1 ZINC000580529168 322323816 /nfs/dbraw/zinc/32/38/16/322323816.db2.gz PDPLZONESYWGGO-CQSZACIVSA-N 2 1 282.391 2.233 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000580898081 322353002 /nfs/dbraw/zinc/35/30/02/322353002.db2.gz VJDNMFNRHBUCQI-OIISXLGYSA-N 2 1 276.424 2.082 20 0 CEADMP C[C@@H](C[NH3+])C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000581010560 322362136 /nfs/dbraw/zinc/36/21/36/322362136.db2.gz QVKSSCYRRSJZBJ-NSHDSACASA-N 2 1 296.440 2.052 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2(COC)CC2)[C@H](C)C1 ZINC000584231717 327071140 /nfs/dbraw/zinc/07/11/40/327071140.db2.gz MYDFTOJPFLVFAF-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163901801 520489564 /nfs/dbraw/zinc/48/95/64/520489564.db2.gz STZPPWUGRHODFL-HZPDHXFCSA-N 2 1 297.487 2.332 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163901801 520489571 /nfs/dbraw/zinc/48/95/71/520489571.db2.gz STZPPWUGRHODFL-HZPDHXFCSA-N 2 1 297.487 2.332 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150842251 520633927 /nfs/dbraw/zinc/63/39/27/520633927.db2.gz LYFACSLRNDCGGH-HNNXBMFYSA-N 2 1 282.428 2.138 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415018878 533873780 /nfs/dbraw/zinc/87/37/80/533873780.db2.gz HFVAGWFQCHZRAL-FVQBIDKESA-N 3 1 261.413 2.197 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCc2cncs2)CC[N@@H+]1C ZINC000411320024 533894516 /nfs/dbraw/zinc/89/45/16/533894516.db2.gz BJGDEQVBWSTWGF-VXGBXAGGSA-N 2 1 253.415 2.100 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCc2cncs2)CC[N@H+]1C ZINC000411320024 533894524 /nfs/dbraw/zinc/89/45/24/533894524.db2.gz BJGDEQVBWSTWGF-VXGBXAGGSA-N 2 1 253.415 2.100 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCc2cncs2)CC[NH+]1C ZINC000411320024 533894532 /nfs/dbraw/zinc/89/45/32/533894532.db2.gz BJGDEQVBWSTWGF-VXGBXAGGSA-N 2 1 253.415 2.100 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2cncs2)CC[NH+]1C ZINC000411320024 533894538 /nfs/dbraw/zinc/89/45/38/533894538.db2.gz BJGDEQVBWSTWGF-VXGBXAGGSA-N 2 1 253.415 2.100 20 0 CEADMP CC[N@@H+](CCOCC[NH3+])[C@@H](C)c1ccc(F)cc1 ZINC000357082114 521140303 /nfs/dbraw/zinc/14/03/03/521140303.db2.gz OQMGTHRPVXTAFW-LBPRGKRZSA-N 2 1 254.349 2.184 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000163919123 522193569 /nfs/dbraw/zinc/19/35/69/522193569.db2.gz HFXSEINEJNRLFS-IUODEOHRSA-N 2 1 292.423 2.429 20 0 CEADMP COc1cc(C)c(C[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000156028198 522194968 /nfs/dbraw/zinc/19/49/68/522194968.db2.gz SZVXFECODDALNB-UHFFFAOYSA-N 2 1 278.396 2.196 20 0 CEADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cs1 ZINC000157052366 522282447 /nfs/dbraw/zinc/28/24/47/522282447.db2.gz VPINECGXFGUJMJ-VXGBXAGGSA-N 2 1 267.442 2.320 20 0 CEADMP CCc1nc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)no1 ZINC000371200209 522431702 /nfs/dbraw/zinc/43/17/02/522431702.db2.gz ZDQKDSZZOQKUOI-ZIAGYGMSSA-N 2 1 292.427 2.296 20 0 CEADMP CCc1nc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)no1 ZINC000371200209 522431714 /nfs/dbraw/zinc/43/17/14/522431714.db2.gz ZDQKDSZZOQKUOI-ZIAGYGMSSA-N 2 1 292.427 2.296 20 0 CEADMP CCc1nc([C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)no1 ZINC000371200209 522431723 /nfs/dbraw/zinc/43/17/23/522431723.db2.gz ZDQKDSZZOQKUOI-ZIAGYGMSSA-N 2 1 292.427 2.296 20 0 CEADMP CCc1nc([C@@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)no1 ZINC000371200209 522431728 /nfs/dbraw/zinc/43/17/28/522431728.db2.gz ZDQKDSZZOQKUOI-ZIAGYGMSSA-N 2 1 292.427 2.296 20 0 CEADMP CC[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000161701848 523274404 /nfs/dbraw/zinc/27/44/04/523274404.db2.gz KFMKTKDAZADKCY-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP CC[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000161701848 523274414 /nfs/dbraw/zinc/27/44/14/523274414.db2.gz KFMKTKDAZADKCY-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=[NH2+])NC1CCCC1 ZINC000052046816 524102166 /nfs/dbraw/zinc/10/21/66/524102166.db2.gz NEUJKOCBYKKJDN-CYBMUJFWSA-N 2 1 266.433 2.307 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+]C2Cc3ccccc3C2)CCCO1 ZINC000278804972 524947862 /nfs/dbraw/zinc/94/78/62/524947862.db2.gz ZJEHFHXOEZFDNB-OAHLLOKOSA-N 2 1 288.435 2.244 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2Cc3ccccc3C2)CCCO1 ZINC000278804972 524947873 /nfs/dbraw/zinc/94/78/73/524947873.db2.gz ZJEHFHXOEZFDNB-OAHLLOKOSA-N 2 1 288.435 2.244 20 0 CEADMP Cc1cc(NC[C@@H]2C[N@H+](C)CCN2C)c2ccccc2[nH+]1 ZINC000068806552 525275586 /nfs/dbraw/zinc/27/55/86/525275586.db2.gz QLINUNHBPUHMEO-CQSZACIVSA-N 2 1 284.407 2.201 20 0 CEADMP Cc1cc(NC[C@@H]2CN(C)CC[N@@H+]2C)c2ccccc2[nH+]1 ZINC000068806552 525275595 /nfs/dbraw/zinc/27/55/95/525275595.db2.gz QLINUNHBPUHMEO-CQSZACIVSA-N 2 1 284.407 2.201 20 0 CEADMP Cc1cc(NC[C@@H]2CN(C)CC[N@H+]2C)c2ccccc2[nH+]1 ZINC000068806552 525275600 /nfs/dbraw/zinc/27/56/00/525275600.db2.gz QLINUNHBPUHMEO-CQSZACIVSA-N 2 1 284.407 2.201 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCOC2CCCCC2)CC[N@H+]1C ZINC000156148836 525439006 /nfs/dbraw/zinc/43/90/06/525439006.db2.gz HYVYQOMEJQMWQH-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1nc(C)n([C@@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000363459055 526765860 /nfs/dbraw/zinc/76/58/60/526765860.db2.gz GGWLDZBKMYUJHJ-MRXNPFEDSA-N 2 1 291.443 2.018 20 0 CEADMP Cc1nc(C)n([C@@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000363459055 526765865 /nfs/dbraw/zinc/76/58/65/526765865.db2.gz GGWLDZBKMYUJHJ-MRXNPFEDSA-N 2 1 291.443 2.018 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(C)(C)[NH3+])cc1 ZINC000370765453 527379107 /nfs/dbraw/zinc/37/91/07/527379107.db2.gz CSHFQDLNTLINTB-LLVKDONJSA-N 2 1 286.379 2.095 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ncccc2C1 ZINC000366317974 527415707 /nfs/dbraw/zinc/41/57/07/527415707.db2.gz FJGZOLLJMPPLQZ-UHFFFAOYSA-N 2 1 256.353 2.035 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2ncccc2C1 ZINC000366317974 527415711 /nfs/dbraw/zinc/41/57/11/527415711.db2.gz FJGZOLLJMPPLQZ-UHFFFAOYSA-N 2 1 256.353 2.035 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC12CCOCC2 ZINC000374285382 527447867 /nfs/dbraw/zinc/44/78/67/527447867.db2.gz BLEILFBJGPVLOB-UKRRQHHQSA-N 2 1 277.412 2.376 20 0 CEADMP CC(C)COC[C@@H](O)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000121370035 528100546 /nfs/dbraw/zinc/10/05/46/528100546.db2.gz AZWOGQMQCAENNE-KRWDZBQOSA-N 2 1 298.471 2.017 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCCC[NH+]1CCCC1 ZINC000357087696 528230292 /nfs/dbraw/zinc/23/02/92/528230292.db2.gz JAHXJWPOVOXKRH-INIZCTEOSA-N 2 1 295.471 2.243 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])C(C)C ZINC000167201507 528500190 /nfs/dbraw/zinc/50/01/90/528500190.db2.gz HDBQKVAKBBZNHU-CABCVRRESA-N 2 1 283.460 2.131 20 0 CEADMP CCC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000310946911 538759563 /nfs/dbraw/zinc/75/95/63/538759563.db2.gz XYHSTNBLSSGNKI-CABCVRRESA-N 2 1 256.434 2.342 20 0 CEADMP CCC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000310946911 538759567 /nfs/dbraw/zinc/75/95/67/538759567.db2.gz XYHSTNBLSSGNKI-CABCVRRESA-N 2 1 256.434 2.342 20 0 CEADMP CCC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000310946911 538759573 /nfs/dbraw/zinc/75/95/73/538759573.db2.gz XYHSTNBLSSGNKI-CABCVRRESA-N 2 1 256.434 2.342 20 0 CEADMP CC[N@H+]1CCC[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000729348497 574485662 /nfs/dbraw/zinc/48/56/62/574485662.db2.gz OGUJUDACADVIRN-MRXNPFEDSA-N 2 1 295.471 2.101 20 0 CEADMP CCS[C@@H]1CCCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000732588995 574623882 /nfs/dbraw/zinc/62/38/82/574623882.db2.gz BXKDKCOHLWGSFP-HUUCEWRRSA-N 2 1 286.485 2.051 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000734487845 574715284 /nfs/dbraw/zinc/71/52/84/574715284.db2.gz WRIWMFIPZCLFLL-OAHLLOKOSA-N 2 1 293.480 2.002 20 0 CEADMP CC(C)[N@H+](C)CC1CC[NH+](CN2CCSC2=O)CC1 ZINC000738090753 574851240 /nfs/dbraw/zinc/85/12/40/574851240.db2.gz RUANOBNVWNDIHK-UHFFFAOYSA-N 2 1 285.457 2.165 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2CCSC2=O)CC1 ZINC000738090753 574851242 /nfs/dbraw/zinc/85/12/42/574851242.db2.gz RUANOBNVWNDIHK-UHFFFAOYSA-N 2 1 285.457 2.165 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000125504285 649925411 /nfs/dbraw/zinc/92/54/11/649925411.db2.gz AKNQRQUKDNIBBC-AWEZNQCLSA-N 2 1 260.381 2.100 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000125504285 649925413 /nfs/dbraw/zinc/92/54/13/649925413.db2.gz AKNQRQUKDNIBBC-AWEZNQCLSA-N 2 1 260.381 2.100 20 0 CEADMP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000983862852 613953736 /nfs/dbraw/zinc/95/37/36/613953736.db2.gz JQLGMTWSTHICDS-JYJNAYRXSA-N 2 1 295.471 2.142 20 0 CEADMP CC(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC000971526549 614070611 /nfs/dbraw/zinc/07/06/11/614070611.db2.gz YCKSASTWBUFHIL-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971526549 614070614 /nfs/dbraw/zinc/07/06/14/614070614.db2.gz YCKSASTWBUFHIL-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971526549 614070617 /nfs/dbraw/zinc/07/06/17/614070617.db2.gz YCKSASTWBUFHIL-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1)[NH+]1CCCC1 ZINC000980491349 614073683 /nfs/dbraw/zinc/07/36/83/614073683.db2.gz SPWIAZASIJFPSO-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000951196614 614095523 /nfs/dbraw/zinc/09/55/23/614095523.db2.gz ZNNFHYDIDFFMDT-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](C(C)C)C1 ZINC000957279666 614675383 /nfs/dbraw/zinc/67/53/83/614675383.db2.gz ZIGJBHHHZUDRMU-GJZGRUSLSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](C(C)C)CC1(C)C ZINC000974653148 614680781 /nfs/dbraw/zinc/68/07/81/614680781.db2.gz GKWKRTDXMWYJOF-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](C(C)C)CC1(C)C ZINC000974653148 614680784 /nfs/dbraw/zinc/68/07/84/614680784.db2.gz GKWKRTDXMWYJOF-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](C(C)C)CC1(C)C ZINC000974653148 614680786 /nfs/dbraw/zinc/68/07/86/614680786.db2.gz GKWKRTDXMWYJOF-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941034017 614710670 /nfs/dbraw/zinc/71/06/70/614710670.db2.gz ZQRQBJBIUQCUKT-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941034017 614710672 /nfs/dbraw/zinc/71/06/72/614710672.db2.gz ZQRQBJBIUQCUKT-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941034017 614710675 /nfs/dbraw/zinc/71/06/75/614710675.db2.gz ZQRQBJBIUQCUKT-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC)CC1(C)C ZINC000974652636 614780210 /nfs/dbraw/zinc/78/02/10/614780210.db2.gz FORNSXJUXYHNEQ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974652636 614780213 /nfs/dbraw/zinc/78/02/13/614780213.db2.gz FORNSXJUXYHNEQ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974652636 614780216 /nfs/dbraw/zinc/78/02/16/614780216.db2.gz FORNSXJUXYHNEQ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC(C)C)C1 ZINC000980485453 615113844 /nfs/dbraw/zinc/11/38/44/615113844.db2.gz KBGGXGJOSAKXQV-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(C)C)C1 ZINC000980485453 615113845 /nfs/dbraw/zinc/11/38/45/615113845.db2.gz KBGGXGJOSAKXQV-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000942052533 615276650 /nfs/dbraw/zinc/27/66/50/615276650.db2.gz GKPDDRSFTLPZMF-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP Cn1cnc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309715874 625284810 /nfs/dbraw/zinc/28/48/10/625284810.db2.gz LTVZQCXFMBKVLB-MRXNPFEDSA-N 2 1 284.407 2.032 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000235411323 625423715 /nfs/dbraw/zinc/42/37/15/625423715.db2.gz MWPLNNKPZAABBQ-SOLBZPMBSA-N 2 1 287.451 2.363 20 0 CEADMP CC(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001024367328 625533773 /nfs/dbraw/zinc/53/37/73/625533773.db2.gz ZXCYDPIEBKZTGY-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001024367328 625533780 /nfs/dbraw/zinc/53/37/80/625533780.db2.gz ZXCYDPIEBKZTGY-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC)C1 ZINC001020909881 622921482 /nfs/dbraw/zinc/92/14/82/622921482.db2.gz RWJSBNQBLJAIPL-BZUAXINKSA-N 2 1 295.471 2.288 20 0 CEADMP Cc1ncccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000120858209 622954904 /nfs/dbraw/zinc/95/49/04/622954904.db2.gz IPYALNNBIYFVGS-UHFFFAOYSA-N 2 1 268.364 2.107 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC(CO)(C(F)(F)F)CC1 ZINC000932827149 623197680 /nfs/dbraw/zinc/19/76/80/623197680.db2.gz DJCMKCSAGYLKBT-LBPRGKRZSA-N 2 1 294.361 2.108 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932827149 623197684 /nfs/dbraw/zinc/19/76/84/623197684.db2.gz DJCMKCSAGYLKBT-LBPRGKRZSA-N 2 1 294.361 2.108 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932827149 623197687 /nfs/dbraw/zinc/19/76/87/623197687.db2.gz DJCMKCSAGYLKBT-LBPRGKRZSA-N 2 1 294.361 2.108 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308361138 623673857 /nfs/dbraw/zinc/67/38/57/623673857.db2.gz GQXAVUKQRDRLJD-MELADBBJSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308361138 623673862 /nfs/dbraw/zinc/67/38/62/623673862.db2.gz GQXAVUKQRDRLJD-MELADBBJSA-N 2 1 254.418 2.264 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000891544764 623775423 /nfs/dbraw/zinc/77/54/23/623775423.db2.gz DOMYPDKPDHTUMB-UHFFFAOYSA-N 2 1 298.475 2.021 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCOC12CCCCC2 ZINC000926202498 623840823 /nfs/dbraw/zinc/84/08/23/623840823.db2.gz DCDJHMNFAOZQHD-AWEZNQCLSA-N 2 1 263.385 2.044 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000926202499 623841263 /nfs/dbraw/zinc/84/12/63/623841263.db2.gz DCDJHMNFAOZQHD-CQSZACIVSA-N 2 1 263.385 2.044 20 0 CEADMP Cc1cc([C@H]2CCC[N@@H+]2CC2CC[NH+](C)CC2)no1 ZINC000891648064 623859763 /nfs/dbraw/zinc/85/97/63/623859763.db2.gz JNAVAIBIZWNXDC-OAHLLOKOSA-N 2 1 263.385 2.462 20 0 CEADMP CC[N@@H+](CCc1ccccn1)CC1CC[NH+](C)CC1 ZINC000891786359 623969421 /nfs/dbraw/zinc/96/94/21/623969421.db2.gz LVBPGJGBRUMSOB-UHFFFAOYSA-N 2 1 261.413 2.288 20 0 CEADMP CC(C)C[C@@H]1COCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892021453 624254883 /nfs/dbraw/zinc/25/48/83/624254883.db2.gz IJKQZHKXQTZVGF-OAHLLOKOSA-N 2 1 254.418 2.075 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC(C)(C)OCC2(C)C)CC1 ZINC000892063638 624287228 /nfs/dbraw/zinc/28/72/28/624287228.db2.gz OGZZIRXYRCLRAX-UHFFFAOYSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+]1CCC(CNc2cc(NC)[nH+]cn2)CC1 ZINC000892167360 624373077 /nfs/dbraw/zinc/37/30/77/624373077.db2.gz SFPQHVXCXILQFV-UHFFFAOYSA-N 2 1 263.389 2.052 20 0 CEADMP Cc1nccn1CC[N@H+]1CCN(c2ccccc2)[C@H](C)C1 ZINC000934321222 624411758 /nfs/dbraw/zinc/41/17/58/624411758.db2.gz ZXVVKRFBOLEYDY-OAHLLOKOSA-N 2 1 284.407 2.402 20 0 CEADMP Cn1cc(Cl)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000892224547 624437125 /nfs/dbraw/zinc/43/71/25/624437125.db2.gz XBAHALBOKKSTTA-UHFFFAOYSA-N 2 1 269.820 2.452 20 0 CEADMP C[C@H](C[NH2+][C@H](C)c1ccnn1C1CCC1)C[NH+](C)C ZINC000926468280 624831709 /nfs/dbraw/zinc/83/17/09/624831709.db2.gz AXAYJSMVUOUHEV-CHWSQXEVSA-N 2 1 264.417 2.456 20 0 CEADMP CCc1nnc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000892509699 625739783 /nfs/dbraw/zinc/73/97/83/625739783.db2.gz AXOTUZLJHYMBTN-SNVBAGLBSA-N 2 1 279.413 2.031 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn2ccnc2s1 ZINC000892510518 625743091 /nfs/dbraw/zinc/74/30/91/625743091.db2.gz MBRAGPFLFIMGSD-LLVKDONJSA-N 2 1 289.408 2.327 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CCCO)C1 ZINC000820810484 634536427 /nfs/dbraw/zinc/53/64/27/634536427.db2.gz XSOIMNAMRCUPRR-BZUAXINKSA-N 2 1 268.445 2.249 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)[C@H]1OC ZINC000892583318 627290080 /nfs/dbraw/zinc/29/00/80/627290080.db2.gz CDAPQRZZYMTXIK-QBPKDAKJSA-N 2 1 298.471 2.281 20 0 CEADMP CCn1cc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000892590614 627294460 /nfs/dbraw/zinc/29/44/60/627294460.db2.gz WIBUBWRLAYIPRL-GASCZTMLSA-N 2 1 293.459 2.146 20 0 CEADMP Cn1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C1CC1 ZINC000892608605 627307649 /nfs/dbraw/zinc/30/76/49/627307649.db2.gz RKIFEASWORKMGN-GJZGRUSLSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1C1CC1 ZINC000892608605 627307653 /nfs/dbraw/zinc/30/76/53/627307653.db2.gz RKIFEASWORKMGN-GJZGRUSLSA-N 2 1 274.412 2.014 20 0 CEADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1noc2cc(F)ccc21 ZINC000926813205 627638735 /nfs/dbraw/zinc/63/87/35/627638735.db2.gz QJVBPTACFJBNIY-SOSAQKQKSA-N 2 1 289.354 2.397 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1noc2cc(F)ccc21 ZINC000926813205 627638741 /nfs/dbraw/zinc/63/87/41/627638741.db2.gz QJVBPTACFJBNIY-SOSAQKQKSA-N 2 1 289.354 2.397 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000311871392 627710258 /nfs/dbraw/zinc/71/02/58/627710258.db2.gz LUEKYVZADCRSDF-GJZGRUSLSA-N 2 1 260.381 2.058 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000311871392 627710264 /nfs/dbraw/zinc/71/02/64/627710264.db2.gz LUEKYVZADCRSDF-GJZGRUSLSA-N 2 1 260.381 2.058 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(c2cc(N)[nH+]cc2Cl)C1 ZINC000892730925 627733050 /nfs/dbraw/zinc/73/30/50/627733050.db2.gz LVSWZDWGAZZNDQ-SNVBAGLBSA-N 2 1 268.792 2.095 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000936060870 627755442 /nfs/dbraw/zinc/75/54/42/627755442.db2.gz MDHLZTAAPNXCBQ-LSDHHAIUSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000936060870 627755445 /nfs/dbraw/zinc/75/54/45/627755445.db2.gz MDHLZTAAPNXCBQ-LSDHHAIUSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000936060870 627755450 /nfs/dbraw/zinc/75/54/50/627755450.db2.gz MDHLZTAAPNXCBQ-LSDHHAIUSA-N 2 1 283.460 2.096 20 0 CEADMP CN(C)c1cc[nH+]c(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000926881518 627903635 /nfs/dbraw/zinc/90/36/35/627903635.db2.gz BSGDBLXTGOMMGW-IAGOWNOFSA-N 2 1 288.439 2.254 20 0 CEADMP CN(C)c1cc[nH+]c(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000926881518 627903638 /nfs/dbraw/zinc/90/36/38/627903638.db2.gz BSGDBLXTGOMMGW-IAGOWNOFSA-N 2 1 288.439 2.254 20 0 CEADMP c1ccc(NCCC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925501632 627981482 /nfs/dbraw/zinc/98/14/82/627981482.db2.gz DBCDYXBDFIFSNR-OAHLLOKOSA-N 2 1 259.397 2.363 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000902406085 634621211 /nfs/dbraw/zinc/62/12/11/634621211.db2.gz LBHOKRWWTSQPMG-LBPRGKRZSA-N 2 1 289.379 2.175 20 0 CEADMP [NH3+]C1(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000902408243 634623774 /nfs/dbraw/zinc/62/37/74/634623774.db2.gz YMLLHFQVHAVLOM-LLVKDONJSA-N 2 1 295.224 2.387 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2ccc3cn[nH]c3c2)C1 ZINC000902385576 634627798 /nfs/dbraw/zinc/62/77/98/634627798.db2.gz VXMVNVVEEJCZMZ-HNNXBMFYSA-N 2 1 286.423 2.473 20 0 CEADMP CN(C)c1cccnc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385610 634628354 /nfs/dbraw/zinc/62/83/54/634628354.db2.gz WNZCBYNEFHGVNI-CYBMUJFWSA-N 2 1 276.428 2.015 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925543812 628178519 /nfs/dbraw/zinc/17/85/19/628178519.db2.gz WOLKACIYLVJPQU-SUJAAXHWSA-N 3 1 279.472 2.225 20 0 CEADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925571561 628245497 /nfs/dbraw/zinc/24/54/97/628245497.db2.gz DYWSZBWJGLZCCK-MPTQWLOMSA-N 2 1 280.387 2.368 20 0 CEADMP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H]2CCCc3c[nH]nc32)C1 ZINC000925592824 628273277 /nfs/dbraw/zinc/27/32/77/628273277.db2.gz HXXZAXVBUOVAEL-UPJWGTAASA-N 2 1 262.401 2.283 20 0 CEADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000925592824 628273279 /nfs/dbraw/zinc/27/32/79/628273279.db2.gz HXXZAXVBUOVAEL-UPJWGTAASA-N 2 1 262.401 2.283 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]C[C@H]2C[C@@]2(C)Br)CC1 ZINC000893305307 628282607 /nfs/dbraw/zinc/28/26/07/628282607.db2.gz UKRLUMQKLFGHPM-VXGBXAGGSA-N 2 1 273.218 2.011 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925608805 628290232 /nfs/dbraw/zinc/29/02/32/628290232.db2.gz KFDXHTNYZQNQFS-DOMZBBRYSA-N 2 1 260.381 2.197 20 0 CEADMP COc1nc(C)cc(C)c1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925608878 628290256 /nfs/dbraw/zinc/29/02/56/628290256.db2.gz LGZQUIQEGFPBHB-UONOGXRCSA-N 2 1 275.396 2.067 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@H](c2ccccc2)[C@@H](C)[NH3+])C1 ZINC000925612945 628296220 /nfs/dbraw/zinc/29/62/20/628296220.db2.gz ONIKDRZTGFMCHK-INMHGKMJSA-N 2 1 275.440 2.396 20 0 CEADMP CCOc1cccc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000925617729 628305309 /nfs/dbraw/zinc/30/53/09/628305309.db2.gz RJCWFAURYIFWLM-HNNXBMFYSA-N 2 1 262.397 2.358 20 0 CEADMP [NH3+]CCC[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccccc1 ZINC000925617958 628307533 /nfs/dbraw/zinc/30/75/33/628307533.db2.gz YIVHROZSGDFQRT-HOTGVXAUSA-N 2 1 284.407 2.337 20 0 CEADMP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925628401 628323225 /nfs/dbraw/zinc/32/32/25/628323225.db2.gz FFRCYAPKPVHSRJ-KFWWJZLASA-N 2 1 292.423 2.440 20 0 CEADMP CC(C)C[NH2+]C1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001026592423 628367712 /nfs/dbraw/zinc/36/77/12/628367712.db2.gz AELWKIHYNXTMHA-FHERZECASA-N 2 1 295.471 2.001 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)[C@@H]1CCC[NH2+]1 ZINC000902433207 634654635 /nfs/dbraw/zinc/65/46/35/634654635.db2.gz YRKXINMJFJLTSK-CBBWQLFWSA-N 2 1 252.402 2.064 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC2(C)C)C1(C)C ZINC000902440821 634658134 /nfs/dbraw/zinc/65/81/34/634658134.db2.gz AMCINMRRUFJEQF-YNEHKIRRSA-N 2 1 254.418 2.166 20 0 CEADMP CC1(C)[C@H](NCC[N@H+]2CCCC2(C)C)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925686680 628494846 /nfs/dbraw/zinc/49/48/46/628494846.db2.gz XMGNVNYCEALBQR-QLFBSQMISA-N 2 1 279.472 2.227 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000925690425 628505145 /nfs/dbraw/zinc/50/51/45/628505145.db2.gz VEZXUYCJFKESOK-IXYNUQLISA-N 2 1 275.396 2.032 20 0 CEADMP Cc1ccc(F)c(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925697121 628532349 /nfs/dbraw/zinc/53/23/49/628532349.db2.gz YSRPHRWFJZENAQ-CQSZACIVSA-N 2 1 250.361 2.407 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000925699068 628535938 /nfs/dbraw/zinc/53/59/38/628535938.db2.gz MQHYCVAWIMDMPQ-HUUCEWRRSA-N 2 1 259.397 2.376 20 0 CEADMP CC[C@H](C[C@](C)(O)CC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925702509 628542955 /nfs/dbraw/zinc/54/29/55/628542955.db2.gz AYQFGJKUTGAEDX-HUUCEWRRSA-N 2 1 254.418 2.168 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000925711839 628562158 /nfs/dbraw/zinc/56/21/58/628562158.db2.gz SPKGIKRXQLKFTI-HOTGVXAUSA-N 2 1 264.413 2.043 20 0 CEADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cnn(CCF)c1 ZINC000902447620 634670243 /nfs/dbraw/zinc/67/02/43/634670243.db2.gz UMQYQCYBUZJKHR-DZGCQCFKSA-N 2 1 282.407 2.253 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000236754265 628678281 /nfs/dbraw/zinc/67/82/81/628678281.db2.gz QGHBDINKMQPYME-OAGGEKHMSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)[C@@H]1CCCC[NH2+]1 ZINC000925734327 628692310 /nfs/dbraw/zinc/69/23/10/628692310.db2.gz QPTDWUVYMTVANC-JYJNAYRXSA-N 2 1 296.455 2.082 20 0 CEADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000925734549 628692529 /nfs/dbraw/zinc/69/25/29/628692529.db2.gz AOSFUFWRBHXIPJ-HJWJTTGWSA-N 2 1 274.408 2.494 20 0 CEADMP CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000248632498 628718176 /nfs/dbraw/zinc/71/81/76/628718176.db2.gz IONDCQSBWJQBSG-HZPDHXFCSA-N 2 1 294.439 2.138 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)[C@@H]1CCCC[NH2+]1 ZINC000925773218 628781333 /nfs/dbraw/zinc/78/13/33/628781333.db2.gz MNKBKUONPAPRSQ-MJBXVCDLSA-N 2 1 252.402 2.066 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000925773264 628783140 /nfs/dbraw/zinc/78/31/40/628783140.db2.gz BIDDBRMVYDXLOP-QWHCGFSZSA-N 2 1 252.402 2.066 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902469595 634686928 /nfs/dbraw/zinc/68/69/28/634686928.db2.gz YCRFSYRKXKIUCV-GUDXXQAFSA-N 2 1 274.408 2.499 20 0 CEADMP Cn1cnc2cc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])ccc21 ZINC000925813984 628866796 /nfs/dbraw/zinc/86/67/96/628866796.db2.gz WKIYOVTYLXVSLI-UONOGXRCSA-N 2 1 272.396 2.323 20 0 CEADMP C[N@H+]1CCC[C@H]2CN(CCC(=O)C(C)(C)C)CC[C@H]21 ZINC000227347660 628916872 /nfs/dbraw/zinc/91/68/72/628916872.db2.gz JPLNWLSJIMQJEW-UONOGXRCSA-N 2 1 266.429 2.408 20 0 CEADMP COc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000925828900 628920078 /nfs/dbraw/zinc/92/00/78/628920078.db2.gz JTPACKDSVBHMNQ-QWHCGFSZSA-N 2 1 299.212 2.427 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925835738 628932957 /nfs/dbraw/zinc/93/29/57/628932957.db2.gz UCSBQTVCMFSVDI-AVGNSLFASA-N 2 1 293.377 2.133 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](OCC3CC3)C2)CC1 ZINC000893700358 628937829 /nfs/dbraw/zinc/93/78/29/628937829.db2.gz LGFLWWUGNLXJBT-INIZCTEOSA-N 2 1 266.429 2.219 20 0 CEADMP CN(C)[C@H](CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)C(F)(F)F ZINC000925838662 628938410 /nfs/dbraw/zinc/93/84/10/628938410.db2.gz ZVOBNGYZAWSNQQ-VXGBXAGGSA-N 2 1 293.377 2.133 20 0 CEADMP CC(C)[C@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925843231 628945996 /nfs/dbraw/zinc/94/59/96/628945996.db2.gz DLWKSCNSTMYJDU-SJORKVTESA-N 2 1 281.488 2.476 20 0 CEADMP CCc1onc(C)c1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000925890265 628985426 /nfs/dbraw/zinc/98/54/26/628985426.db2.gz OATDWHSORHYOLG-GXFFZTMASA-N 2 1 251.374 2.023 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)n1 ZINC000902481350 634699874 /nfs/dbraw/zinc/69/98/74/634699874.db2.gz BYIJDDWWKABMDT-ZFWWWQNUSA-N 2 1 277.412 2.143 20 0 CEADMP COC[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)C1CCCC1 ZINC000902485306 634701354 /nfs/dbraw/zinc/70/13/54/634701354.db2.gz ZOIINACQYVVFBE-CABCVRRESA-N 2 1 254.418 2.313 20 0 CEADMP CCOC(=O)[C@@H](CC)[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000893947126 629060264 /nfs/dbraw/zinc/06/02/64/629060264.db2.gz WZYBZWTUBFIZOK-OAHLLOKOSA-N 2 1 282.428 2.134 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1cccc2c1NCCC2 ZINC000894173081 629189471 /nfs/dbraw/zinc/18/94/71/629189471.db2.gz GNLIIPIECDDUAE-UHFFFAOYSA-N 2 1 291.439 2.103 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000924952603 629290131 /nfs/dbraw/zinc/29/01/31/629290131.db2.gz NSQRSRNBAHQLNA-NWDGAFQWSA-N 2 1 274.368 2.279 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC000924959977 629297708 /nfs/dbraw/zinc/29/77/08/629297708.db2.gz NDBJHTJAPYTQEX-KBPBESRZSA-N 2 1 256.434 2.103 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1cnc2onc(C)c2c1 ZINC000894383390 629416350 /nfs/dbraw/zinc/41/63/50/629416350.db2.gz HZHWPOXSSPVBQS-UHFFFAOYSA-N 2 1 276.384 2.353 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC3(C2)CO[C@@H](C)C3)C1 ZINC000894455860 629472058 /nfs/dbraw/zinc/47/20/58/629472058.db2.gz MGQQWLBUOJDNPH-FXQLRMTLSA-N 2 1 266.429 2.264 20 0 CEADMP Cn1cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C2CC2)n1 ZINC000894622035 629562838 /nfs/dbraw/zinc/56/28/38/629562838.db2.gz FEXIHVRFLLVNMD-QGZVFWFLSA-N 2 1 288.439 2.215 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCOCC23CCCCC3)CC1 ZINC000894752965 629621683 /nfs/dbraw/zinc/62/16/83/629621683.db2.gz FQTFZLBSYPNOFK-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP Cc1nc(C)c(C)c(N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)n1 ZINC000894797247 629646269 /nfs/dbraw/zinc/64/62/69/629646269.db2.gz KIDQEWGKWNYVBJ-IYBDPMFKSA-N 2 1 274.412 2.180 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC(C)(O)CC2)C1 ZINC000894861149 629697987 /nfs/dbraw/zinc/69/79/87/629697987.db2.gz QKRTXWUCZQAETL-WLYUNCDWSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H]2C[C@]2(C)Br)C1 ZINC000894861921 629699290 /nfs/dbraw/zinc/69/92/90/629699290.db2.gz YSWVUOAVLYRORI-AGIUHOORSA-N 2 1 289.261 2.481 20 0 CEADMP CC(C)[C@@H]1[N@@H+](CC2CC[NH+](C)CC2)CC12CCOCC2 ZINC000894919716 629754392 /nfs/dbraw/zinc/75/43/92/629754392.db2.gz LAHGIDGWYXWYNA-INIZCTEOSA-N 2 1 280.456 2.465 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000262096500 629835106 /nfs/dbraw/zinc/83/51/06/629835106.db2.gz HXTGWTNRJMJGKW-SNVBAGLBSA-N 2 1 272.751 2.139 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000262096500 629835109 /nfs/dbraw/zinc/83/51/09/629835109.db2.gz HXTGWTNRJMJGKW-SNVBAGLBSA-N 2 1 272.751 2.139 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H](CO)C2CCCCC2)s1 ZINC000796315862 629842367 /nfs/dbraw/zinc/84/23/67/629842367.db2.gz NPYODPPBYACQAW-AWEZNQCLSA-N 2 1 297.468 2.236 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CC[C@H](C)[NH+](C)C)o1 ZINC000895293320 630085494 /nfs/dbraw/zinc/08/54/94/630085494.db2.gz ZITGVCFLUCMXSK-LBPRGKRZSA-N 2 1 290.411 2.418 20 0 CEADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895377556 630149203 /nfs/dbraw/zinc/14/92/03/630149203.db2.gz MCXXBYJUQOYPRT-SWLSCSKDSA-N 2 1 264.417 2.270 20 0 CEADMP Cc1n[nH]cc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895377556 630149213 /nfs/dbraw/zinc/14/92/13/630149213.db2.gz MCXXBYJUQOYPRT-SWLSCSKDSA-N 2 1 264.417 2.270 20 0 CEADMP COC[C@H](C)C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895379445 630150832 /nfs/dbraw/zinc/15/08/32/630150832.db2.gz VUUNCNKKCOHZES-QLFBSQMISA-N 2 1 256.434 2.321 20 0 CEADMP CCC[C@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)OC ZINC000895558766 630249475 /nfs/dbraw/zinc/24/94/75/630249475.db2.gz ZYLLQJZHTVADNY-GDBMZVCRSA-N 2 1 277.412 2.407 20 0 CEADMP CCO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)C1 ZINC000902766785 634817861 /nfs/dbraw/zinc/81/78/61/634817861.db2.gz RPEGXPCQCZOVEO-CVEARBPZSA-N 2 1 284.444 2.035 20 0 CEADMP COCC[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902766929 634818103 /nfs/dbraw/zinc/81/81/03/634818103.db2.gz URZRLSMXDCDTEH-ZIAGYGMSSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc3c(s2)CCC3)C[C@H]1CC[NH3+] ZINC000903977568 635395077 /nfs/dbraw/zinc/39/50/77/635395077.db2.gz UPGIJETTYXQOBL-GHMZBOCLSA-N 2 1 265.426 2.049 20 0 CEADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)C(C)C ZINC000896791666 630670712 /nfs/dbraw/zinc/67/07/12/630670712.db2.gz UKFSPCYJJRTEAY-HNNXBMFYSA-N 2 1 297.487 2.484 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)C[NH+](C)C ZINC000896879927 630699535 /nfs/dbraw/zinc/69/95/35/630699535.db2.gz IYYAURLANUOKCE-BFHYXJOUSA-N 2 1 288.501 2.463 20 0 CEADMP C[NH+]1CCC(C[N@@H+]2CCn3nc(C(C)(C)C)cc3C2)CC1 ZINC000896942832 630832612 /nfs/dbraw/zinc/83/26/12/630832612.db2.gz MMTQCFZWAQRNDJ-UHFFFAOYSA-N 2 1 290.455 2.338 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCn3nc(C(C)(C)C)cc3C2)CC1 ZINC000896942832 630832618 /nfs/dbraw/zinc/83/26/18/630832618.db2.gz MMTQCFZWAQRNDJ-UHFFFAOYSA-N 2 1 290.455 2.338 20 0 CEADMP Cc1ncc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000798957018 630956190 /nfs/dbraw/zinc/95/61/90/630956190.db2.gz IPJKOLBXQDCNNV-UHFFFAOYSA-N 2 1 274.412 2.093 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC1(C[NH+](C)C)CCC1 ZINC000799038092 630964033 /nfs/dbraw/zinc/96/40/33/630964033.db2.gz GZEASMPQWJHSEJ-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000799175461 630991950 /nfs/dbraw/zinc/99/19/50/630991950.db2.gz ZHVOWJIKVIUNLD-INIZCTEOSA-N 2 1 298.377 2.416 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000799175461 630991952 /nfs/dbraw/zinc/99/19/52/630991952.db2.gz ZHVOWJIKVIUNLD-INIZCTEOSA-N 2 1 298.377 2.416 20 0 CEADMP COc1ccc([C@@H](CO)[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904322218 635567968 /nfs/dbraw/zinc/56/79/68/635567968.db2.gz SKDSDXAYMZBARW-SJORKVTESA-N 2 1 292.423 2.050 20 0 CEADMP COc1ccc([C@@H](CO)[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904322218 635567971 /nfs/dbraw/zinc/56/79/71/635567971.db2.gz SKDSDXAYMZBARW-SJORKVTESA-N 2 1 292.423 2.050 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)Cc2ccccc2)CC[N@@H+]1C ZINC000799730215 631071985 /nfs/dbraw/zinc/07/19/85/631071985.db2.gz CNEOIOGPKOIKNK-HYVNUMGLSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)Cc2ccccc2)CC[N@H+]1C ZINC000799730215 631071989 /nfs/dbraw/zinc/07/19/89/631071989.db2.gz CNEOIOGPKOIKNK-HYVNUMGLSA-N 2 1 276.424 2.052 20 0 CEADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000909601731 631099328 /nfs/dbraw/zinc/09/93/28/631099328.db2.gz QULPNNQPZINKGG-HNNXBMFYSA-N 2 1 289.423 2.337 20 0 CEADMP CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000985686604 631173333 /nfs/dbraw/zinc/17/33/33/631173333.db2.gz PZPAIOMNHZUAHH-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000985686604 631173335 /nfs/dbraw/zinc/17/33/35/631173335.db2.gz PZPAIOMNHZUAHH-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000985686604 631173337 /nfs/dbraw/zinc/17/33/37/631173337.db2.gz PZPAIOMNHZUAHH-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)CC1(C)C ZINC000897503793 631589980 /nfs/dbraw/zinc/58/99/80/631589980.db2.gz RNXYAKZIWWQSOM-KKUMJFAQSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C3(O)CCC3)CC2)CC1(C)C ZINC000897527498 631650785 /nfs/dbraw/zinc/65/07/85/631650785.db2.gz OJHSELHVERCVQN-ZDUSSCGKSA-N 2 1 266.429 2.144 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC1CC[NH+](C(C)(C)C)CC1 ZINC000925308302 631764270 /nfs/dbraw/zinc/76/42/70/631764270.db2.gz PPAKNIVGNZSSGV-MZBDJJRSSA-N 2 1 279.472 2.179 20 0 CEADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000925308302 631764276 /nfs/dbraw/zinc/76/42/76/631764276.db2.gz PPAKNIVGNZSSGV-MZBDJJRSSA-N 3 1 279.472 2.179 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000925308302 631764283 /nfs/dbraw/zinc/76/42/83/631764283.db2.gz PPAKNIVGNZSSGV-MZBDJJRSSA-N 3 1 279.472 2.179 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](c3ccccn3)C2)CC[NH2+]1 ZINC000841018664 631792039 /nfs/dbraw/zinc/79/20/39/631792039.db2.gz NEIUXIOTUASCBK-RBSFLKMASA-N 2 1 259.397 2.259 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc([C@H](C)O)s2)C1 ZINC000809735898 632134192 /nfs/dbraw/zinc/13/41/92/632134192.db2.gz XASPTCZEMMQVOV-RYUDHWBXSA-N 2 1 283.441 2.016 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc([C@H](C)O)s2)C1 ZINC000809735898 632134197 /nfs/dbraw/zinc/13/41/97/632134197.db2.gz XASPTCZEMMQVOV-RYUDHWBXSA-N 2 1 283.441 2.016 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC1CCC2(CC1)OCCO2 ZINC000809764793 632142826 /nfs/dbraw/zinc/14/28/26/632142826.db2.gz ISZGLAUTPREBGJ-ZBFHGGJFSA-N 2 1 296.455 2.192 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC1CCC2(CC1)OCCO2 ZINC000809764793 632142829 /nfs/dbraw/zinc/14/28/29/632142829.db2.gz ISZGLAUTPREBGJ-ZBFHGGJFSA-N 2 1 296.455 2.192 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC1CCC2(CC1)OCCO2 ZINC000809764793 632142831 /nfs/dbraw/zinc/14/28/31/632142831.db2.gz ISZGLAUTPREBGJ-ZBFHGGJFSA-N 2 1 296.455 2.192 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC1CCC2(CC1)OCCO2 ZINC000809764793 632142837 /nfs/dbraw/zinc/14/28/37/632142837.db2.gz ISZGLAUTPREBGJ-ZBFHGGJFSA-N 2 1 296.455 2.192 20 0 CEADMP CC(C)n1ncc2cc(C[NH2+][C@@H](C)CC[NH3+])c(Cl)nc21 ZINC000841051012 632353952 /nfs/dbraw/zinc/35/39/52/632353952.db2.gz MNDSWWYKSQCFEY-JTQLQIEISA-N 2 1 295.818 2.493 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)OCCC[NH+]1CCCCC1 ZINC000923887059 632366431 /nfs/dbraw/zinc/36/64/31/632366431.db2.gz CSWCMBGZCXOEAO-OAHLLOKOSA-N 2 1 282.428 2.278 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1(Br)CC1 ZINC000924647389 632388248 /nfs/dbraw/zinc/38/82/48/632388248.db2.gz JKYGTNPCUPQXSK-WDEREUQCSA-N 2 1 287.245 2.376 20 0 CEADMP CCO[C@H](C[NH2+][C@@H](C)c1cccc(O)c1)CN(C)C ZINC000926966986 632396784 /nfs/dbraw/zinc/39/67/84/632396784.db2.gz YZKOGGRQJHEGSB-SWLSCSKDSA-N 2 1 266.385 2.010 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000873223352 632402950 /nfs/dbraw/zinc/40/29/50/632402950.db2.gz KUSWXXCUFYATQT-MRXNPFEDSA-N 2 1 284.444 2.273 20 0 CEADMP COc1ccnc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000924697099 632429996 /nfs/dbraw/zinc/42/99/96/632429996.db2.gz JTBKCHVRAZOWBV-IHRRRGAJSA-N 2 1 275.396 2.368 20 0 CEADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000898786710 632597624 /nfs/dbraw/zinc/59/76/24/632597624.db2.gz ONLKMOHQFNRBLQ-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CON1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000924751938 632731422 /nfs/dbraw/zinc/73/14/22/632731422.db2.gz LYRUSPOHAYYQMN-CQSZACIVSA-N 2 1 283.460 2.112 20 0 CEADMP CON1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000924751938 632731425 /nfs/dbraw/zinc/73/14/25/632731425.db2.gz LYRUSPOHAYYQMN-CQSZACIVSA-N 2 1 283.460 2.112 20 0 CEADMP Cc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)cnc1Cl ZINC000813784474 632734348 /nfs/dbraw/zinc/73/43/48/632734348.db2.gz FFIKYVJDSXJFCT-JTQLQIEISA-N 2 1 255.793 2.331 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])N[C@@H](C)C2CC2)C1 ZINC000899271522 632768213 /nfs/dbraw/zinc/76/82/13/632768213.db2.gz ZHUROCWSRIQHKK-KBPBESRZSA-N 2 1 280.460 2.267 20 0 CEADMP CCCNc1cc(N[C@@H]2Cc3ccccc3[C@H]2[NH3+])nc[nH+]1 ZINC000900020768 633185332 /nfs/dbraw/zinc/18/53/32/633185332.db2.gz OSQQARNPNWMWOL-CZUORRHYSA-N 2 1 283.379 2.335 20 0 CEADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000817274445 633616829 /nfs/dbraw/zinc/61/68/29/633616829.db2.gz DWBKOONAVIEDJW-SJORKVTESA-N 2 1 272.392 2.113 20 0 CEADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000817274445 633616831 /nfs/dbraw/zinc/61/68/31/633616831.db2.gz DWBKOONAVIEDJW-SJORKVTESA-N 2 1 272.392 2.113 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000817676423 633718585 /nfs/dbraw/zinc/71/85/85/633718585.db2.gz GYYCCTDQLVWLKJ-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817676423 633718588 /nfs/dbraw/zinc/71/85/88/633718588.db2.gz GYYCCTDQLVWLKJ-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000817676423 633718591 /nfs/dbraw/zinc/71/85/91/633718591.db2.gz GYYCCTDQLVWLKJ-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000817895663 633757844 /nfs/dbraw/zinc/75/78/44/633757844.db2.gz WRQCEJVKWUKBGK-FRRDWIJNSA-N 2 1 289.206 2.496 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000817898677 633759585 /nfs/dbraw/zinc/75/95/85/633759585.db2.gz KBEMFVKZQPLZTE-LSDHHAIUSA-N 2 1 285.395 2.017 20 0 CEADMP CC[C@@H]([NH2+]CCc1ccc(Cl)nc1)[C@@H]1CCC[NH2+]1 ZINC000817901301 633762527 /nfs/dbraw/zinc/76/25/27/633762527.db2.gz BAMJTXZFRNBNNA-OLZOCXBDSA-N 2 1 267.804 2.398 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)o1 ZINC000817911962 633769304 /nfs/dbraw/zinc/76/93/04/633769304.db2.gz CUMFCQLETYRGTF-RRFJBIMHSA-N 2 1 272.348 2.356 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)o1 ZINC000817911605 633769883 /nfs/dbraw/zinc/76/98/83/633769883.db2.gz CUMFCQLETYRGTF-RBSFLKMASA-N 2 1 272.348 2.356 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@H+]1CCC[C@@H]1C ZINC000817914396 633773054 /nfs/dbraw/zinc/77/30/54/633773054.db2.gz WALCVAHSNDWSDE-YQQAZPJKSA-N 2 1 275.440 2.019 20 0 CEADMP C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000817928366 633783500 /nfs/dbraw/zinc/78/35/00/633783500.db2.gz WCQRBZYAYOYOQA-USXIJHARSA-N 2 1 276.424 2.100 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000817933198 633786737 /nfs/dbraw/zinc/78/67/37/633786737.db2.gz ZWRVRPVONHFNTK-SUMWQHHRSA-N 2 1 285.391 2.495 20 0 CEADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2c(c1)CCO2 ZINC000817960639 633802493 /nfs/dbraw/zinc/80/24/93/633802493.db2.gz ONCCGWFCVZCPDE-LSDHHAIUSA-N 2 1 260.381 2.400 20 0 CEADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817972264 633815319 /nfs/dbraw/zinc/81/53/19/633815319.db2.gz KQRDAHMHKRJHRQ-NEPJUHHUSA-N 2 1 277.368 2.031 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000818971723 634022797 /nfs/dbraw/zinc/02/27/97/634022797.db2.gz CLZCJNCKPQZNOS-MAUKXSAKSA-N 2 1 288.435 2.411 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000818985322 634029449 /nfs/dbraw/zinc/02/94/49/634029449.db2.gz QZTZYGRGIZAYAL-HNNXBMFYSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000819061947 634057089 /nfs/dbraw/zinc/05/70/89/634057089.db2.gz YKXDCTIHYQUHFF-IINYFYTJSA-N 2 1 288.794 2.442 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000819133607 634077974 /nfs/dbraw/zinc/07/79/74/634077974.db2.gz TZVBHAHSOFGBFA-ZOWXZIJZSA-N 2 1 298.377 2.461 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc(F)c2)C1 ZINC000819151325 634085426 /nfs/dbraw/zinc/08/54/26/634085426.db2.gz ARICPSXBOTYAFR-RHSMWYFYSA-N 2 1 294.414 2.427 20 0 CEADMP C[C@@H](CC[NH2+]C[C@@H](O)c1ccc(F)cn1)[NH+]1CCCCC1 ZINC000819230660 634110918 /nfs/dbraw/zinc/11/09/18/634110918.db2.gz KODFRWGRYODQLU-XJKSGUPXSA-N 2 1 295.402 2.108 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000819366049 634156771 /nfs/dbraw/zinc/15/67/71/634156771.db2.gz HKMXPKMMGXXRIT-BBRMVZONSA-N 2 1 280.387 2.181 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1COc2ccccc2C1 ZINC000902896087 634885812 /nfs/dbraw/zinc/88/58/12/634885812.db2.gz HIBVDRZWYQLUGO-PBHICJAKSA-N 2 1 286.419 2.478 20 0 CEADMP COCC[NH+]1CCC([NH2+]C2CC3(C2)COC(C)(C)C3)CC1 ZINC000924787555 634956280 /nfs/dbraw/zinc/95/62/80/634956280.db2.gz JDURUVOAKKOJDB-UHFFFAOYSA-N 2 1 296.455 2.035 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903072510 634966805 /nfs/dbraw/zinc/96/68/05/634966805.db2.gz KFOPJTHVBVONEJ-BBRMVZONSA-N 2 1 259.397 2.464 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903072510 634966806 /nfs/dbraw/zinc/96/68/06/634966806.db2.gz KFOPJTHVBVONEJ-BBRMVZONSA-N 2 1 259.397 2.464 20 0 CEADMP O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903109080 634973178 /nfs/dbraw/zinc/97/31/78/634973178.db2.gz CYELNRNFSCFQDM-ORKBROOFSA-N 2 1 298.430 2.392 20 0 CEADMP O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903109080 634973179 /nfs/dbraw/zinc/97/31/79/634973179.db2.gz CYELNRNFSCFQDM-ORKBROOFSA-N 2 1 298.430 2.392 20 0 CEADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C[N@H+]1C1CC1 ZINC000903109382 634973498 /nfs/dbraw/zinc/97/34/98/634973498.db2.gz FJUWPKGJYKCGFW-RAUWWPPOSA-N 2 1 289.467 2.359 20 0 CEADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[NH+]1C1CC1 ZINC000903109382 634973500 /nfs/dbraw/zinc/97/35/00/634973500.db2.gz FJUWPKGJYKCGFW-RAUWWPPOSA-N 2 1 289.467 2.359 20 0 CEADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[NH+]1C1CC1 ZINC000903109382 634973505 /nfs/dbraw/zinc/97/35/05/634973505.db2.gz FJUWPKGJYKCGFW-RAUWWPPOSA-N 2 1 289.467 2.359 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CN1C1CC1 ZINC000903109382 634973507 /nfs/dbraw/zinc/97/35/07/634973507.db2.gz FJUWPKGJYKCGFW-RAUWWPPOSA-N 2 1 289.467 2.359 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CN1C1CC1 ZINC000903109382 634973510 /nfs/dbraw/zinc/97/35/10/634973510.db2.gz FJUWPKGJYKCGFW-RAUWWPPOSA-N 2 1 289.467 2.359 20 0 CEADMP C[C@@H](Cn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903112907 634977539 /nfs/dbraw/zinc/97/75/39/634977539.db2.gz KMVCXAQLGLWNIV-WYQXTGKHSA-N 2 1 274.412 2.019 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000251742633 634981249 /nfs/dbraw/zinc/98/12/49/634981249.db2.gz UAEWRLLATLQKPM-APIJFGDWSA-N 2 1 252.402 2.160 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000251742633 634981253 /nfs/dbraw/zinc/98/12/53/634981253.db2.gz UAEWRLLATLQKPM-APIJFGDWSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(F)(F)F ZINC000903128714 634983764 /nfs/dbraw/zinc/98/37/64/634983764.db2.gz ADEHIOABRKAYMX-CTEVKTCYSA-N 2 1 292.345 2.047 20 0 CEADMP C/C=C\C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903151951 634997273 /nfs/dbraw/zinc/99/72/73/634997273.db2.gz KTLXNOGYYQVYME-PSRZBHNTSA-N 2 1 264.413 2.061 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC000903232402 635028249 /nfs/dbraw/zinc/02/82/49/635028249.db2.gz WSWGOBNWFSFISG-UHFFFAOYSA-N 2 1 271.364 2.124 20 0 CEADMP CCOc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1OC(=O)CC ZINC000841076222 635038487 /nfs/dbraw/zinc/03/84/87/635038487.db2.gz CPDLYLSJULWARJ-VXGBXAGGSA-N 2 1 294.395 2.226 20 0 CEADMP C[C@@H]1[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1C ZINC000903302027 635048884 /nfs/dbraw/zinc/04/88/84/635048884.db2.gz XJMHQJNENSCKKG-PBHICJAKSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1C ZINC000903302027 635048887 /nfs/dbraw/zinc/04/88/87/635048887.db2.gz XJMHQJNENSCKKG-PBHICJAKSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H](CO)CCc2ccccc2)CC[N@@H+]1C ZINC000903290572 635053538 /nfs/dbraw/zinc/05/35/38/635053538.db2.gz YXHQOKPLWJRHOC-USXIJHARSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H](CO)CCc2ccccc2)CC[N@H+]1C ZINC000903290572 635053539 /nfs/dbraw/zinc/05/35/39/635053539.db2.gz YXHQOKPLWJRHOC-USXIJHARSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000903322393 635056678 /nfs/dbraw/zinc/05/66/78/635056678.db2.gz MWPUOOVEVNSTFL-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CC[N@H+]2C)CC1 ZINC000903322393 635056682 /nfs/dbraw/zinc/05/66/82/635056682.db2.gz MWPUOOVEVNSTFL-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2cccc(F)c2)CC[N@H+]1C ZINC000903310273 635060737 /nfs/dbraw/zinc/06/07/37/635060737.db2.gz PITCTSXHFABKIS-KCXAZCMYSA-N 2 1 280.387 2.106 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCN1C ZINC000903326087 635075777 /nfs/dbraw/zinc/07/57/77/635075777.db2.gz VWYHLTDYJLFCKE-BPQIPLTHSA-N 2 1 287.451 2.191 20 0 CEADMP CC(C)O[C@@]1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCOC1 ZINC000903357169 635084462 /nfs/dbraw/zinc/08/44/62/635084462.db2.gz KJICLNARWYLOIW-GOEBONIOSA-N 2 1 284.444 2.033 20 0 CEADMP C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903382507 635094576 /nfs/dbraw/zinc/09/45/76/635094576.db2.gz FXOKPMQQRUIUDU-INMHGKMJSA-N 2 1 291.439 2.479 20 0 CEADMP Cc1ncccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000903417647 635107052 /nfs/dbraw/zinc/10/70/52/635107052.db2.gz DRHQERGURSIZRE-BRWVUGGUSA-N 2 1 273.424 2.395 20 0 CEADMP c1csc(C[C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000903418737 635107973 /nfs/dbraw/zinc/10/79/73/635107973.db2.gz SDSASUFAOXQXDJ-AWEZNQCLSA-N 2 1 279.453 2.397 20 0 CEADMP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903432627 635115034 /nfs/dbraw/zinc/11/50/34/635115034.db2.gz HKXBVGLAECRWTJ-WCVJEAGWSA-N 2 1 295.471 2.131 20 0 CEADMP CCc1nc([C@@H]2CCCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000903432424 635115131 /nfs/dbraw/zinc/11/51/31/635115131.db2.gz BHCSMZHZQZAKAV-AGIUHOORSA-N 2 1 278.400 2.286 20 0 CEADMP CCc1nc([C@@H]2CCCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000903432424 635115134 /nfs/dbraw/zinc/11/51/34/635115134.db2.gz BHCSMZHZQZAKAV-AGIUHOORSA-N 2 1 278.400 2.286 20 0 CEADMP CCC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000903439497 635118953 /nfs/dbraw/zinc/11/89/53/635118953.db2.gz INEHQPAQJXXSAN-JKJDWNRSSA-N 2 1 280.456 2.367 20 0 CEADMP C[C@@H](c1ccsc1)[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903457558 635124130 /nfs/dbraw/zinc/12/41/30/635124130.db2.gz WYLYBUBJEDNVBF-DZGCQCFKSA-N 2 1 279.453 2.179 20 0 CEADMP C[C@@H](c1ncccn1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000903463853 635127031 /nfs/dbraw/zinc/12/70/31/635127031.db2.gz POYVDTIMOWIYCI-ZFWWWQNUSA-N 2 1 274.412 2.249 20 0 CEADMP c1cc(CC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)sn1 ZINC000903453555 635136715 /nfs/dbraw/zinc/13/67/15/635136715.db2.gz BMITWEQNOKEEAK-OLZOCXBDSA-N 2 1 265.426 2.007 20 0 CEADMP C[N@H+](Cc1cc(Cl)cc2ccccc21)C[C@@H](O)C[NH3+] ZINC000903453709 635136996 /nfs/dbraw/zinc/13/69/96/635136996.db2.gz JBDIGMWMKQWRHZ-AWEZNQCLSA-N 2 1 278.783 2.245 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000903457034 635140408 /nfs/dbraw/zinc/14/04/08/635140408.db2.gz LCLUCHSHCICXKO-PMPSAXMXSA-N 2 1 298.434 2.356 20 0 CEADMP CO[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000903471991 635142594 /nfs/dbraw/zinc/14/25/94/635142594.db2.gz ONSYLQCWKXSXKC-KBPBESRZSA-N 2 1 252.402 2.066 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3cc(F)c(F)cc3C2)C1 ZINC000903481732 635149829 /nfs/dbraw/zinc/14/98/29/635149829.db2.gz LCWVZYJOBZPYHF-GXFFZTMASA-N 2 1 266.335 2.450 20 0 CEADMP CC[N@H+](Cc1ccccc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717709 635232187 /nfs/dbraw/zinc/23/21/87/635232187.db2.gz SZLOMCOQDVYDLV-SJORKVTESA-N 2 1 274.408 2.277 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718698 635234165 /nfs/dbraw/zinc/23/41/65/635234165.db2.gz QTLNWVXBSHRJFF-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1ccc(C[N@@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)s1 ZINC000903729252 635240511 /nfs/dbraw/zinc/24/05/11/635240511.db2.gz LJOCFKATJWCABS-HIFRSBDPSA-N 2 1 280.437 2.257 20 0 CEADMP OCC[N@@H+](C[C@H]1CCCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000903729714 635241099 /nfs/dbraw/zinc/24/10/99/635241099.db2.gz REKBXEHWSLSRSY-YJBOKZPZSA-N 2 1 288.435 2.358 20 0 CEADMP CC(C)C[C@H]1COCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903729631 635241301 /nfs/dbraw/zinc/24/13/01/635241301.db2.gz PQWCUKLSJAGZIM-CABCVRRESA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)C[C@H]1COCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903729631 635241307 /nfs/dbraw/zinc/24/13/07/635241307.db2.gz PQWCUKLSJAGZIM-CABCVRRESA-N 2 1 254.418 2.123 20 0 CEADMP c1csc(C[NH+]2CCN(C[C@H]3CCCC[NH2+]C3)CC2)c1 ZINC000903733207 635245460 /nfs/dbraw/zinc/24/54/60/635245460.db2.gz LARYUTBDHOZXIC-HNNXBMFYSA-N 2 1 293.480 2.255 20 0 CEADMP COc1cccc2c1CC[N@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903752585 635249156 /nfs/dbraw/zinc/24/91/56/635249156.db2.gz OBYDEYVCNFXEAJ-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903752585 635249159 /nfs/dbraw/zinc/24/91/59/635249159.db2.gz OBYDEYVCNFXEAJ-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP CC(C)[N@H+](Cc1ccccn1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903737861 635251507 /nfs/dbraw/zinc/25/15/07/635251507.db2.gz WOSKWCJSSJVHOB-IAGOWNOFSA-N 2 1 289.423 2.061 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903741375 635254214 /nfs/dbraw/zinc/25/42/14/635254214.db2.gz OZDPXASCTHQYDG-IAGOWNOFSA-N 2 1 279.472 2.040 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903743488 635254732 /nfs/dbraw/zinc/25/47/32/635254732.db2.gz MEAUWXMJKBYSMH-WHOHXGKFSA-N 2 1 280.334 2.156 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903743486 635255076 /nfs/dbraw/zinc/25/50/76/635255076.db2.gz MEAUWXMJKBYSMH-USZNOCQGSA-N 2 1 280.334 2.156 20 0 CEADMP Cc1cc(C2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)n[nH]1 ZINC000903757298 635260790 /nfs/dbraw/zinc/26/07/90/635260790.db2.gz BTNNIHIAIYEWLB-CQSZACIVSA-N 2 1 276.428 2.287 20 0 CEADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903757041 635261078 /nfs/dbraw/zinc/26/10/78/635261078.db2.gz AXACIFIGVDDASJ-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000903756110 635261119 /nfs/dbraw/zinc/26/11/19/635261119.db2.gz OXRLQBPNGKZHGE-HOCLYGCPSA-N 2 1 266.429 2.125 20 0 CEADMP COc1ccc(CC[N@@H+]2CCC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903795483 635262014 /nfs/dbraw/zinc/26/20/14/635262014.db2.gz MNVJWKWHZYVBKW-DOTOQJQBSA-N 2 1 274.408 2.441 20 0 CEADMP COc1ccc(CC[N@H+]2CCC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903795483 635262019 /nfs/dbraw/zinc/26/20/19/635262019.db2.gz MNVJWKWHZYVBKW-DOTOQJQBSA-N 2 1 274.408 2.441 20 0 CEADMP OCC1(C(F)(F)F)CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903789458 635270728 /nfs/dbraw/zinc/27/07/28/635270728.db2.gz XMUKHKMHMXBEQL-LBPRGKRZSA-N 2 1 294.361 2.013 20 0 CEADMP CCOCCC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903815545 635272375 /nfs/dbraw/zinc/27/23/75/635272375.db2.gz RMWVWZXCTNIGAX-CQSZACIVSA-N 2 1 254.418 2.397 20 0 CEADMP NC[C@]12CC[C@@H]1CCC[N@@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000903798730 635275997 /nfs/dbraw/zinc/27/59/97/635275997.db2.gz AIIDXGHEOWUXTF-FUHWJXTLSA-N 3 1 285.435 2.036 20 0 CEADMP NC[C@]12CC[C@@H]1CCC[N@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000903798730 635276001 /nfs/dbraw/zinc/27/60/01/635276001.db2.gz AIIDXGHEOWUXTF-FUHWJXTLSA-N 3 1 285.435 2.036 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000903798730 635276007 /nfs/dbraw/zinc/27/60/07/635276007.db2.gz AIIDXGHEOWUXTF-FUHWJXTLSA-N 3 1 285.435 2.036 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000903798730 635276013 /nfs/dbraw/zinc/27/60/13/635276013.db2.gz AIIDXGHEOWUXTF-FUHWJXTLSA-N 3 1 285.435 2.036 20 0 CEADMP Cc1noc(CCC[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)n1 ZINC000903810391 635284362 /nfs/dbraw/zinc/28/43/62/635284362.db2.gz CDTOHMMWWMCTFZ-CQSZACIVSA-N 2 1 292.427 2.294 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810318 635284861 /nfs/dbraw/zinc/28/48/61/635284861.db2.gz ASUTZXLTNPUQBD-INIZCTEOSA-N 2 1 290.455 2.336 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000903823928 635292065 /nfs/dbraw/zinc/29/20/65/635292065.db2.gz LNAXDVICIYWZQO-HOTGVXAUSA-N 2 1 284.444 2.023 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)n1 ZINC000903827205 635294696 /nfs/dbraw/zinc/29/46/96/635294696.db2.gz QMKGYDRGBPNDAJ-JBBSTSQOSA-N 2 1 290.411 2.131 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc3c1OC(F)(F)O3)C2 ZINC000903842878 635301437 /nfs/dbraw/zinc/30/14/37/635301437.db2.gz XDIWWMPOLHGQIN-DLOVCJGASA-N 2 1 296.317 2.320 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc3c1OC(F)(F)O3)C2 ZINC000903842878 635301445 /nfs/dbraw/zinc/30/14/45/635301445.db2.gz XDIWWMPOLHGQIN-DLOVCJGASA-N 2 1 296.317 2.320 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2C2CCC2)cnn1C ZINC000903888876 635316412 /nfs/dbraw/zinc/31/64/12/635316412.db2.gz MAHBXVBKYIIKPW-WMLDXEAASA-N 2 1 290.455 2.110 20 0 CEADMP C[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@H](C)N1CC(F)(F)F ZINC000903875670 635322399 /nfs/dbraw/zinc/32/23/99/635322399.db2.gz SRWTVOAUBRDKEH-BETUJISGSA-N 2 1 295.393 2.462 20 0 CEADMP Cc1ccnc(C2CC[NH+](CCC[NH2+]C3CC3)CC2)n1 ZINC000903874565 635322640 /nfs/dbraw/zinc/32/26/40/635322640.db2.gz DGYKBHRMRZVNSK-UHFFFAOYSA-N 2 1 274.412 2.107 20 0 CEADMP CCCC[N@@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C1CC1 ZINC000903884574 635327654 /nfs/dbraw/zinc/32/76/54/635327654.db2.gz DAVAZGYBSSKQDQ-AWEZNQCLSA-N 2 1 278.444 2.110 20 0 CEADMP CCOC(=O)C[N@H+](Cc1cccc2c1CC[NH2+]C2)C(C)C ZINC000903887066 635329416 /nfs/dbraw/zinc/32/94/16/635329416.db2.gz XBYRXJMEVDUXNA-UHFFFAOYSA-N 2 1 290.407 2.106 20 0 CEADMP CCOC(=O)C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C(C)C ZINC000903887066 635329423 /nfs/dbraw/zinc/32/94/23/635329423.db2.gz XBYRXJMEVDUXNA-UHFFFAOYSA-N 2 1 290.407 2.106 20 0 CEADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H](CO)C(C)(C)C ZINC000903896352 635332090 /nfs/dbraw/zinc/33/20/90/635332090.db2.gz BSDTXUUDOJBLKY-INIZCTEOSA-N 2 1 276.424 2.171 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903897224 635332653 /nfs/dbraw/zinc/33/26/53/635332653.db2.gz GFMUMDUVTDFZKU-GJZGRUSLSA-N 2 1 297.393 2.175 20 0 CEADMP CC[C@@H](C)C[N@@H+](CC)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903900062 635335284 /nfs/dbraw/zinc/33/52/84/635335284.db2.gz ZKWMMSMXWDBKEU-ZIAGYGMSSA-N 2 1 279.432 2.071 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000903911235 635343999 /nfs/dbraw/zinc/34/39/99/635343999.db2.gz ZQTQIQKMAJPOKG-ZCJOQKPTSA-N 2 1 278.440 2.266 20 0 CEADMP COc1cc(C[NH2+]C[C@H]([NH3+])CC(F)F)ccc1C ZINC000903922366 635350495 /nfs/dbraw/zinc/35/04/95/635350495.db2.gz WIQFHZKBHHPNJE-LLVKDONJSA-N 2 1 258.312 2.076 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000903939304 635354493 /nfs/dbraw/zinc/35/44/93/635354493.db2.gz FWFFNWPRCITTSP-GRYCIOLGSA-N 2 1 280.334 2.028 20 0 CEADMP CC(C)C[N@H+](Cc1cnn(C)c1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903929435 635355806 /nfs/dbraw/zinc/35/58/06/635355806.db2.gz FQYOZXGUNOVCSL-ZXFUBFMLSA-N 2 1 290.455 2.409 20 0 CEADMP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1F ZINC000903955779 635389056 /nfs/dbraw/zinc/38/90/56/635389056.db2.gz YTSBEDHDDFYHBG-LBPRGKRZSA-N 2 1 272.314 2.469 20 0 CEADMP CCC[C@H](CC)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972410 635391470 /nfs/dbraw/zinc/39/14/70/635391470.db2.gz HZBPYJKONVLGEB-KBPBESRZSA-N 2 1 254.418 2.313 20 0 CEADMP CC(C)CCC[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973009 635391900 /nfs/dbraw/zinc/39/19/00/635391900.db2.gz NDWWABYGPJURQQ-CQSZACIVSA-N 2 1 254.418 2.171 20 0 CEADMP CC1(C)CC[C@@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000903974713 635392401 /nfs/dbraw/zinc/39/24/01/635392401.db2.gz WPBQRFWJMSVBBS-ZIAGYGMSSA-N 2 1 266.429 2.313 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000903963896 635397659 /nfs/dbraw/zinc/39/76/59/635397659.db2.gz IVOLOXAACMMSLH-XYVMCAHJSA-N 2 1 287.451 2.237 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000824658573 635472701 /nfs/dbraw/zinc/47/27/01/635472701.db2.gz MULVSOHXTIWCMS-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000824658573 635472704 /nfs/dbraw/zinc/47/27/04/635472704.db2.gz MULVSOHXTIWCMS-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000824658573 635472708 /nfs/dbraw/zinc/47/27/08/635472708.db2.gz MULVSOHXTIWCMS-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000904315898 635552703 /nfs/dbraw/zinc/55/27/03/635552703.db2.gz IGQOWIGEGOGFSF-IFUGULHKSA-N 2 1 282.334 2.075 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000904315898 635552708 /nfs/dbraw/zinc/55/27/08/635552708.db2.gz IGQOWIGEGOGFSF-IFUGULHKSA-N 2 1 282.334 2.075 20 0 CEADMP C[C@]1(CN2CC[NH+](Cc3cccs3)CC2)CCC[NH2+]C1 ZINC000904303976 635555084 /nfs/dbraw/zinc/55/50/84/635555084.db2.gz OAJVKOKWQKXEQX-INIZCTEOSA-N 2 1 293.480 2.255 20 0 CEADMP C[C@@]1(CN2CC[NH+](Cc3ccsc3)CC2)CCC[NH2+]C1 ZINC000904305994 635556701 /nfs/dbraw/zinc/55/67/01/635556701.db2.gz XNKCLTOWZDIGQJ-MRXNPFEDSA-N 2 1 293.480 2.255 20 0 CEADMP C[N@H+](Cc1ccccc1N1CCCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904305198 635557354 /nfs/dbraw/zinc/55/73/54/635557354.db2.gz HLKQQBIFAPGAQS-FZNQNYSPSA-N 2 1 273.424 2.456 20 0 CEADMP COc1ccc(C[N@H+](C)C[C@]2(C)CCC[NH2+]C2)cc1O ZINC000904311768 635560380 /nfs/dbraw/zinc/56/03/80/635560380.db2.gz BOPDEOHWBZQZOR-MRXNPFEDSA-N 2 1 278.396 2.222 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)cc1O ZINC000904311768 635560382 /nfs/dbraw/zinc/56/03/82/635560382.db2.gz BOPDEOHWBZQZOR-MRXNPFEDSA-N 2 1 278.396 2.222 20 0 CEADMP CCC1(CC)[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1OC ZINC000904328362 635573274 /nfs/dbraw/zinc/57/32/74/635573274.db2.gz OCMQJJKQCRGYBG-RQJABVFESA-N 2 1 254.418 2.249 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@H](Cc3ccncc3)C2)CCC[NH2+]C1 ZINC000904341989 635580560 /nfs/dbraw/zinc/58/05/60/635580560.db2.gz TVXJCALUVYZNML-IAGOWNOFSA-N 2 1 273.424 2.336 20 0 CEADMP CC(C)(C)[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC000904346926 635582923 /nfs/dbraw/zinc/58/29/23/635582923.db2.gz ZUNVVGNEDHOLQJ-FMKPAKJESA-N 2 1 268.445 2.105 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000904350029 635584588 /nfs/dbraw/zinc/58/45/88/635584588.db2.gz GDACTPHLEQKITN-JKSUJKDBSA-N 3 1 281.488 2.462 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCO3)C[C@H]1CC[NH3+] ZINC000904388919 635597886 /nfs/dbraw/zinc/59/78/86/635597886.db2.gz QITDDDUUEVKBGR-CZUORRHYSA-N 2 1 274.408 2.428 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1C ZINC000904376908 635601888 /nfs/dbraw/zinc/60/18/88/635601888.db2.gz YSOVNRDDKCPWKP-GXTWGEPZSA-N 2 1 276.380 2.093 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)C1 ZINC000904379007 635603474 /nfs/dbraw/zinc/60/34/74/635603474.db2.gz PKIIMUVUNOOELN-BYNSBNAKSA-N 2 1 252.402 2.005 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)C1 ZINC000904381788 635606159 /nfs/dbraw/zinc/60/61/59/635606159.db2.gz UTCAXKDKAAYAPI-BTYMGIQYSA-N 2 1 256.393 2.459 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904385725 635608109 /nfs/dbraw/zinc/60/81/09/635608109.db2.gz CRYOKMNMFGRXKW-VXGBXAGGSA-N 2 1 280.334 2.029 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904385725 635608116 /nfs/dbraw/zinc/60/81/16/635608116.db2.gz CRYOKMNMFGRXKW-VXGBXAGGSA-N 2 1 280.334 2.029 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000904406218 635613570 /nfs/dbraw/zinc/61/35/70/635613570.db2.gz UTHGLCHVCYLCJQ-HNNXBMFYSA-N 2 1 274.408 2.225 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000904405888 635613623 /nfs/dbraw/zinc/61/36/23/635613623.db2.gz RLYIDLKICLNNOM-CYBMUJFWSA-N 2 1 255.365 2.406 20 0 CEADMP Cc1cc(C)cc(-n2ncc(C[N@H+]3CC[C@H](CC[NH3+])C3)n2)c1 ZINC000904406069 635614159 /nfs/dbraw/zinc/61/41/59/635614159.db2.gz OPVBKCZZNCKMRL-HNNXBMFYSA-N 2 1 299.422 2.055 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)CC[C@H]1C[NH3+] ZINC000904412145 635619536 /nfs/dbraw/zinc/61/95/36/635619536.db2.gz RATNGFSYUQJNRH-ZBFHGGJFSA-N 2 1 288.439 2.099 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)cc1O ZINC000904462747 635635275 /nfs/dbraw/zinc/63/52/75/635635275.db2.gz RVQJWQUUDAMAFG-BLLLJJGKSA-N 2 1 292.423 2.310 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904458853 635644576 /nfs/dbraw/zinc/64/45/76/635644576.db2.gz HNBRJBCEYQJBSD-QGZVFWFLSA-N 3 1 289.467 2.352 20 0 CEADMP c1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000904475705 635649362 /nfs/dbraw/zinc/64/93/62/635649362.db2.gz PSMHUPQKCGNQSY-WMZOPIPTSA-N 2 1 295.386 2.427 20 0 CEADMP C[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2C[NH3+])CC[N@H+]1C ZINC000904656103 635688245 /nfs/dbraw/zinc/68/82/45/635688245.db2.gz UQUWEGADYMBMCI-GXTWGEPZSA-N 2 1 290.411 2.092 20 0 CEADMP Cc1cccc([C@@H](O)CN[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000905103657 635816976 /nfs/dbraw/zinc/81/69/76/635816976.db2.gz ZIONXBOKBIRNTH-IRXDYDNUSA-N 2 1 274.408 2.102 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000905286888 636210458 /nfs/dbraw/zinc/21/04/58/636210458.db2.gz SVKDMHAGARCGIE-NVXWUHKLSA-N 2 1 276.424 2.350 20 0 CEADMP CCOc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc(Cl)c1OC ZINC000906508350 636758878 /nfs/dbraw/zinc/75/88/78/636758878.db2.gz OEIIKEFXUSSRIX-XYPYZODXSA-N 2 1 284.787 2.327 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000906509504 636760686 /nfs/dbraw/zinc/76/06/86/636760686.db2.gz GOTGDRFWUKITQS-UHFFFAOYSA-N 2 1 273.149 2.168 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CC[NH+](CC)CC2)C1 ZINC000906521240 636767039 /nfs/dbraw/zinc/76/70/39/636767039.db2.gz TWQCJOWHKKQRDC-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000907283341 636983423 /nfs/dbraw/zinc/98/34/23/636983423.db2.gz RXJPHFFJMVGYFR-CQSZACIVSA-N 2 1 293.455 2.018 20 0 CEADMP Cc1ccc(C2([NH2+]C[C@@H](O)C[NH+]3CCCC3)CCC2)cc1 ZINC000830825917 637170186 /nfs/dbraw/zinc/17/01/86/637170186.db2.gz SCQJPYGTPCBKGW-QGZVFWFLSA-N 2 1 288.435 2.421 20 0 CEADMP C[NH+](C)CCCCC(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000908573168 637415968 /nfs/dbraw/zinc/41/59/68/637415968.db2.gz IJTQCRGTNSDMKV-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)C1CCCC1 ZINC000841086112 637438618 /nfs/dbraw/zinc/43/86/18/637438618.db2.gz CUDNHCTZPMHCNB-ZOBORPQBSA-N 2 1 286.510 2.473 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000909050944 637587955 /nfs/dbraw/zinc/58/79/55/637587955.db2.gz FOMSPOMBYOJCDV-SJORKVTESA-N 2 1 274.408 2.280 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000909050944 637587966 /nfs/dbraw/zinc/58/79/66/637587966.db2.gz FOMSPOMBYOJCDV-SJORKVTESA-N 2 1 274.408 2.280 20 0 CEADMP C[C@H](CNC(=O)CCCCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000155706710 637850913 /nfs/dbraw/zinc/85/09/13/637850913.db2.gz YRBLYEGYBJEAAH-OAHLLOKOSA-N 2 1 291.439 2.142 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](OC)C23CCC3)C1 ZINC000834548281 637859564 /nfs/dbraw/zinc/85/95/64/637859564.db2.gz MPHMYRCXSOCRGC-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876725855 650411155 /nfs/dbraw/zinc/41/11/55/650411155.db2.gz ZOEJURRFPWTTDS-QLFBSQMISA-N 2 1 295.471 2.131 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000876890396 650475251 /nfs/dbraw/zinc/47/52/51/650475251.db2.gz XXUBJZHJLWRJPA-UHFFFAOYSA-N 2 1 267.804 2.496 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163895480 639336017 /nfs/dbraw/zinc/33/60/17/639336017.db2.gz MRCCMUMEANLDOG-DZGCQCFKSA-N 2 1 262.397 2.291 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)N1CCc2ccccc21 ZINC000925485291 639441441 /nfs/dbraw/zinc/44/14/41/639441441.db2.gz AEBGYAUHGPQYKI-CZUORRHYSA-N 2 1 273.424 2.168 20 0 CEADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227539022 639595543 /nfs/dbraw/zinc/59/55/43/639595543.db2.gz GTDAZVLECGMTPN-NILFDRSVSA-N 2 1 275.396 2.026 20 0 CEADMP [NH3+]CCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000841009414 639616412 /nfs/dbraw/zinc/61/64/12/639616412.db2.gz OENGOIPPQYNFND-GJZGRUSLSA-N 2 1 266.360 2.062 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000841023681 639619110 /nfs/dbraw/zinc/61/91/10/639619110.db2.gz YZPQNZUEHNIEOJ-OAHLLOKOSA-N 3 1 267.461 2.168 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000841023681 639619111 /nfs/dbraw/zinc/61/91/11/639619111.db2.gz YZPQNZUEHNIEOJ-OAHLLOKOSA-N 2 1 267.461 2.168 20 0 CEADMP CC(C)C[C@@H](N)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000841023681 639619114 /nfs/dbraw/zinc/61/91/14/639619114.db2.gz YZPQNZUEHNIEOJ-OAHLLOKOSA-N 2 1 267.461 2.168 20 0 CEADMP CC(C)C[C@@H](N)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000841023681 639619115 /nfs/dbraw/zinc/61/91/15/639619115.db2.gz YZPQNZUEHNIEOJ-OAHLLOKOSA-N 2 1 267.461 2.168 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000228287795 639627669 /nfs/dbraw/zinc/62/76/69/639627669.db2.gz GVTMNQYOSXEUIT-CABZTGNLSA-N 2 1 253.415 2.319 20 0 CEADMP C[C@]1(C[NH+]2CCN(c3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC000062861709 639789578 /nfs/dbraw/zinc/78/95/78/639789578.db2.gz HQCZASDVFBHHGJ-KRWDZBQOSA-N 2 1 291.414 2.337 20 0 CEADMP CC[C@](O)(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(F)(F)F ZINC000929697042 640022290 /nfs/dbraw/zinc/02/22/90/640022290.db2.gz PXQQTXSCZSSMCD-STQMWFEESA-N 2 1 294.361 2.108 20 0 CEADMP CC[C@](O)(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(F)(F)F ZINC000929697042 640022294 /nfs/dbraw/zinc/02/22/94/640022294.db2.gz PXQQTXSCZSSMCD-STQMWFEESA-N 2 1 294.361 2.108 20 0 CEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccn(-c2ccccc2)n1 ZINC000842471951 640071448 /nfs/dbraw/zinc/07/14/48/640071448.db2.gz IVOHNBNYYMTUBN-HNNXBMFYSA-N 2 1 284.407 2.304 20 0 CEADMP CC[C@H](CO)[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000929755984 640092291 /nfs/dbraw/zinc/09/22/91/640092291.db2.gz ZFKSVVFYIFHELZ-MRXNPFEDSA-N 2 1 291.439 2.391 20 0 CEADMP C[C@@H]1SCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000842779055 640179935 /nfs/dbraw/zinc/17/99/35/640179935.db2.gz JWPUPGMQOGAHDR-ONGXEEELSA-N 2 1 271.455 2.188 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)o1 ZINC000843055461 640257411 /nfs/dbraw/zinc/25/74/11/640257411.db2.gz CKVIZHKSAFYNJM-UHFFFAOYSA-N 2 1 280.368 2.158 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)C2CCC([NH3+])CC2)c(C)n1 ZINC000843054745 640257846 /nfs/dbraw/zinc/25/78/46/640257846.db2.gz FIZNWPJVXRCQQR-UHFFFAOYSA-N 2 1 277.412 2.409 20 0 CEADMP CC(C)([NH3+])C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000843062451 640264041 /nfs/dbraw/zinc/26/40/41/640264041.db2.gz JUTVVLDGYBBWML-OAHLLOKOSA-N 2 1 280.387 2.308 20 0 CEADMP C([C@@H]1CCCOC1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126020 640293371 /nfs/dbraw/zinc/29/33/71/640293371.db2.gz DVLUJUFEKRKAMM-HRCADAONSA-N 2 1 266.429 2.125 20 0 CEADMP Fc1cccc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000843345577 640397211 /nfs/dbraw/zinc/39/72/11/640397211.db2.gz YDXNXRZLZLSPQA-UHFFFAOYSA-N 2 1 278.371 2.421 20 0 CEADMP CC(C)N(C(=O)C[N@@H+](C)C1CCC([NH3+])CC1)C1CCCC1 ZINC000843354715 640400560 /nfs/dbraw/zinc/40/05/60/640400560.db2.gz DPMQLIJXAOBEFK-UHFFFAOYSA-N 2 1 295.471 2.368 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+](C)C2CCC([NH3+])CC2)c(F)c1 ZINC000843353872 640400750 /nfs/dbraw/zinc/40/07/50/640400750.db2.gz OELKUDFWVJKARZ-UHFFFAOYSA-N 2 1 293.386 2.274 20 0 CEADMP C[N@@H+](CCOCCOc1ccccc1)C1CCC([NH3+])CC1 ZINC000843355882 640401713 /nfs/dbraw/zinc/40/17/13/640401713.db2.gz ZOODXVRFICNXEI-UHFFFAOYSA-N 2 1 292.423 2.284 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccccc1 ZINC000843360391 640404453 /nfs/dbraw/zinc/40/44/53/640404453.db2.gz UEUBMQWZRDRTMM-VHRNVKJDSA-N 2 1 287.407 2.359 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1 ZINC000843360391 640404457 /nfs/dbraw/zinc/40/44/57/640404457.db2.gz UEUBMQWZRDRTMM-VHRNVKJDSA-N 2 1 287.407 2.359 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843388976 640413263 /nfs/dbraw/zinc/41/32/63/640413263.db2.gz ZQHWNWZUPHLOOB-CVEARBPZSA-N 3 1 267.461 2.217 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]CCc2ccccc2)CC1 ZINC000915229007 640532387 /nfs/dbraw/zinc/53/23/87/640532387.db2.gz QEUMXGXDHWDKLN-UHFFFAOYSA-N 2 1 289.467 2.236 20 0 CEADMP CC[NH2+]CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000844171278 640623428 /nfs/dbraw/zinc/62/34/28/640623428.db2.gz NYHAMSGLKGSWQZ-AWEZNQCLSA-N 2 1 289.423 2.467 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000844221502 640635838 /nfs/dbraw/zinc/63/58/38/640635838.db2.gz OZERCAAMJKHXAZ-INIZCTEOSA-N 2 1 275.440 2.423 20 0 CEADMP C[NH2+]CCC[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000844221502 640635841 /nfs/dbraw/zinc/63/58/41/640635841.db2.gz OZERCAAMJKHXAZ-INIZCTEOSA-N 2 1 275.440 2.423 20 0 CEADMP CC1CCC([N@H+](C[C@H](O)C[NH+]2CCCC2)C2CC2)CC1 ZINC000917064758 640844897 /nfs/dbraw/zinc/84/48/97/640844897.db2.gz JQLYOOBDRKHNQY-VMBOVVBDSA-N 2 1 280.456 2.486 20 0 CEADMP CC1CCC([N@@H+](C[C@H](O)C[NH+]2CCCC2)C2CC2)CC1 ZINC000917064758 640844899 /nfs/dbraw/zinc/84/48/99/640844899.db2.gz JQLYOOBDRKHNQY-VMBOVVBDSA-N 2 1 280.456 2.486 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000917090474 640847501 /nfs/dbraw/zinc/84/75/01/640847501.db2.gz RTPCSCPXZZXWKQ-UHFFFAOYSA-N 2 1 291.443 2.316 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000930059841 641013323 /nfs/dbraw/zinc/01/33/23/641013323.db2.gz HBIJNXCJBLJSAJ-OLMNGRFOSA-N 2 1 266.429 2.216 20 0 CEADMP COC(=O)/C=C(\C)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000930059924 641014936 /nfs/dbraw/zinc/01/49/36/641014936.db2.gz FNDLIGVSWOXEFY-RNTKJRCOSA-N 2 1 292.423 2.054 20 0 CEADMP COC(=O)/C=C(\C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000930059924 641014940 /nfs/dbraw/zinc/01/49/40/641014940.db2.gz FNDLIGVSWOXEFY-RNTKJRCOSA-N 2 1 292.423 2.054 20 0 CEADMP COC(=O)/C=C(\C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000930059924 641014943 /nfs/dbraw/zinc/01/49/43/641014943.db2.gz FNDLIGVSWOXEFY-RNTKJRCOSA-N 2 1 292.423 2.054 20 0 CEADMP COC(=O)/C=C(\C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000930059924 641014948 /nfs/dbraw/zinc/01/49/48/641014948.db2.gz FNDLIGVSWOXEFY-RNTKJRCOSA-N 2 1 292.423 2.054 20 0 CEADMP c1ccc(NCCCCN[C@@H]2CC[NH2+]C23CCC3)nc1 ZINC000925478790 641129648 /nfs/dbraw/zinc/12/96/48/641129648.db2.gz PWGGLEXSVUURKX-CQSZACIVSA-N 3 1 274.412 2.148 20 0 CEADMP CCCC[N@@H+](C)CCN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925479663 641141701 /nfs/dbraw/zinc/14/17/01/641141701.db2.gz COMQXDIEPVBNFF-HOCLYGCPSA-N 2 1 263.429 2.396 20 0 CEADMP COc1ccc([C@H](CO)[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000846218672 641227548 /nfs/dbraw/zinc/22/75/48/641227548.db2.gz VTYBLNXENGPVTR-INIZCTEOSA-N 2 1 280.412 2.180 20 0 CEADMP Cc1nc(C2([NH2+]CCCCCC[NH3+])CCCC2)no1 ZINC000846223788 641232279 /nfs/dbraw/zinc/23/22/79/641232279.db2.gz OHRSHDWICHKKGG-UHFFFAOYSA-N 2 1 266.389 2.256 20 0 CEADMP CC1(C)CC([NH2+]Cc2cnn(CCF)c2)CC(C)(C)[NH2+]1 ZINC000921492928 641287867 /nfs/dbraw/zinc/28/78/67/641287867.db2.gz DDBHROXKFGGJSE-UHFFFAOYSA-N 2 1 282.407 2.251 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@H](C)[NH2+]C1CC1)C1CCCCC1 ZINC000846689833 641394964 /nfs/dbraw/zinc/39/49/64/641394964.db2.gz WISBFXDHXUIKMS-AWEZNQCLSA-N 2 1 295.471 2.288 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000846893894 641472954 /nfs/dbraw/zinc/47/29/54/641472954.db2.gz MWDLSRXFRHYGMQ-HNNXBMFYSA-N 2 1 285.391 2.336 20 0 CEADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC000846972847 641504325 /nfs/dbraw/zinc/50/43/25/641504325.db2.gz OHYNHLYGTRQVAW-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000847087420 641563398 /nfs/dbraw/zinc/56/33/98/641563398.db2.gz BLYOKEIDGVZGTG-SJORKVTESA-N 2 1 280.456 2.488 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000847087420 641563403 /nfs/dbraw/zinc/56/34/03/641563403.db2.gz BLYOKEIDGVZGTG-SJORKVTESA-N 2 1 280.456 2.488 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000252542245 641580041 /nfs/dbraw/zinc/58/00/41/641580041.db2.gz FRTMHMAYHPKRHI-DGADGQDISA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000252542245 641580046 /nfs/dbraw/zinc/58/00/46/641580046.db2.gz FRTMHMAYHPKRHI-DGADGQDISA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000070173997 641642198 /nfs/dbraw/zinc/64/21/98/641642198.db2.gz JMSZCJQTMOVQRD-GDBMZVCRSA-N 3 1 284.407 2.432 20 0 CEADMP C[NH+](C)Cc1cccc(C(=O)OCC[C@H]2CC[N@@H+](C)C2)c1 ZINC000847818007 641787339 /nfs/dbraw/zinc/78/73/39/641787339.db2.gz DALBUXBANMWDGJ-CQSZACIVSA-N 2 1 290.407 2.247 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]Cc2cncc3ccccc32)CC1 ZINC000848558547 642053145 /nfs/dbraw/zinc/05/31/45/642053145.db2.gz MLZVYOZELWXODW-UHFFFAOYSA-N 2 1 299.418 2.171 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000840762401 642101789 /nfs/dbraw/zinc/10/17/89/642101789.db2.gz ANPHVCNTYLELOI-AWCCCEEUSA-N 2 1 252.402 2.157 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(F)cnc2Cl)C1 ZINC000848719818 642111932 /nfs/dbraw/zinc/11/19/32/642111932.db2.gz DKASXDIHPNOXGN-WDEREUQCSA-N 2 1 257.740 2.234 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000921523205 642191641 /nfs/dbraw/zinc/19/16/41/642191641.db2.gz GMAWUODKJNVVTN-KGLIPLIRSA-N 2 1 274.474 2.219 20 0 CEADMP CN1CCC[NH+]=C1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000848981580 642204165 /nfs/dbraw/zinc/20/41/65/642204165.db2.gz VVRYJJHVKKIRMT-ZDUSSCGKSA-N 2 1 292.452 2.166 20 0 CEADMP COc1ccc(NC(=[NH2+])NC[C@H](C)[NH+](C)C)cc1Cl ZINC000848996676 642216904 /nfs/dbraw/zinc/21/69/04/642216904.db2.gz OYZCYCIFVONNTF-VIFPVBQESA-N 2 1 284.791 2.235 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(C)cccc1F ZINC000849010025 642227136 /nfs/dbraw/zinc/22/71/36/642227136.db2.gz VXHZQJXXSWJKCB-CYBMUJFWSA-N 2 1 292.402 2.232 20 0 CEADMP CC(C)c1cccc(NC(=[NH2+])NCC[NH+]2CCC2)c1 ZINC000849014703 642230374 /nfs/dbraw/zinc/23/03/74/642230374.db2.gz SRCUWUYHXPKRDM-UHFFFAOYSA-N 2 1 260.385 2.452 20 0 CEADMP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000849023711 642237369 /nfs/dbraw/zinc/23/73/69/642237369.db2.gz AOBINZSXPOZKBP-KGLIPLIRSA-N 2 1 280.460 2.363 20 0 CEADMP Cc1ccc(NC(=[NH2+])NCC2([NH+](C)C)CC2)cc1C ZINC000849043208 642253243 /nfs/dbraw/zinc/25/32/43/642253243.db2.gz IHJLTKNYGPADSN-UHFFFAOYSA-N 2 1 260.385 2.334 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC2=[NH+]CCCCN2)C1 ZINC000849216133 642285919 /nfs/dbraw/zinc/28/59/19/642285919.db2.gz VSJVSJJLEOVJMH-OKILXGFUSA-N 2 1 280.460 2.072 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2c3c(nn2C)CCC3)C1 ZINC000921688856 642528625 /nfs/dbraw/zinc/52/86/25/642528625.db2.gz IQUFZOXVXUPXRD-AWEZNQCLSA-N 2 1 290.455 2.119 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c3c(nn2C)CCC3)C1 ZINC000921688856 642528629 /nfs/dbraw/zinc/52/86/29/642528629.db2.gz IQUFZOXVXUPXRD-AWEZNQCLSA-N 2 1 290.455 2.119 20 0 CEADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccoc3)cc2)C1 ZINC000850357457 642680763 /nfs/dbraw/zinc/68/07/63/642680763.db2.gz KDZDBWDMQLEZRH-QGZVFWFLSA-N 2 1 286.375 2.136 20 0 CEADMP CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001001228912 642701056 /nfs/dbraw/zinc/70/10/56/642701056.db2.gz GCBDOWACUZOCSR-MRXNPFEDSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001228912 642701057 /nfs/dbraw/zinc/70/10/57/642701057.db2.gz GCBDOWACUZOCSR-MRXNPFEDSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001228912 642701059 /nfs/dbraw/zinc/70/10/59/642701059.db2.gz GCBDOWACUZOCSR-MRXNPFEDSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000850440066 642715065 /nfs/dbraw/zinc/71/50/65/642715065.db2.gz VWFINBMYLDVKBJ-MRXNPFEDSA-N 2 1 296.455 2.177 20 0 CEADMP C[C@@H](CC[NH2+]Cc1cnn(CCF)c1)[NH+]1CCCCC1 ZINC000921992350 642831743 /nfs/dbraw/zinc/83/17/43/642831743.db2.gz ZCFFDCZFIGNLOR-AWEZNQCLSA-N 2 1 282.407 2.207 20 0 CEADMP CS[C@H]1CCC[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000922214905 642960697 /nfs/dbraw/zinc/96/06/97/642960697.db2.gz WAGJKHACVXREMY-KBPBESRZSA-N 2 1 286.485 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001003629076 642962825 /nfs/dbraw/zinc/96/28/25/642962825.db2.gz YAVLYPYJBRLWSL-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CS[C@H]1CCC[C@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000922273762 642994862 /nfs/dbraw/zinc/99/48/62/642994862.db2.gz KGCRPIBATUSWJI-AAEUAGOBSA-N 2 1 253.415 2.226 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000109954078 642998812 /nfs/dbraw/zinc/99/88/12/642998812.db2.gz VQVGGFPXYBUVLG-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@@H]2COC(C)(C)O2)CC1 ZINC000851745125 643142438 /nfs/dbraw/zinc/14/24/38/643142438.db2.gz VZTZJNZXZXGOJC-OAHLLOKOSA-N 2 1 284.444 2.333 20 0 CEADMP C[N@@H+](CCOCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000851771173 643154085 /nfs/dbraw/zinc/15/40/85/643154085.db2.gz ZFBWWZOIPKANNE-UHFFFAOYSA-N 2 1 276.424 2.477 20 0 CEADMP C[NH+](C)CC[C@@H]([NH2+]C[C@H]1CCSC1)c1cccnc1 ZINC000922633945 643172854 /nfs/dbraw/zinc/17/28/54/643172854.db2.gz VLSDNHCCDSRJGH-UKRRQHHQSA-N 2 1 279.453 2.417 20 0 CEADMP CC1(C)OC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)O1 ZINC000851860030 643195278 /nfs/dbraw/zinc/19/52/78/643195278.db2.gz FOGNSCORRNOSJF-CWRNSKLLSA-N 2 1 294.439 2.087 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCOC(F)F)C2)CC1 ZINC000852006554 643262356 /nfs/dbraw/zinc/26/23/56/643262356.db2.gz ANFQVTZGWJYULW-UHFFFAOYSA-N 2 1 262.344 2.033 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCS1 ZINC000922839276 643290908 /nfs/dbraw/zinc/29/09/08/643290908.db2.gz RPIAJKCLOHPHIY-RQJABVFESA-N 2 1 254.443 2.487 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(N)c3)C2)C1 ZINC000852092669 643296818 /nfs/dbraw/zinc/29/68/18/643296818.db2.gz XNFXNNPJCWSLJT-MRXNPFEDSA-N 2 1 259.397 2.187 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(N)c3)C2)C1 ZINC000852092669 643296821 /nfs/dbraw/zinc/29/68/21/643296821.db2.gz XNFXNNPJCWSLJT-MRXNPFEDSA-N 2 1 259.397 2.187 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(N)c3)C2)C1 ZINC000852092669 643296823 /nfs/dbraw/zinc/29/68/23/643296823.db2.gz XNFXNNPJCWSLJT-MRXNPFEDSA-N 2 1 259.397 2.187 20 0 CEADMP COCC[N@H+](Cc1cnc(C)s1)CC1CC[NH+](C)CC1 ZINC000877665346 650840737 /nfs/dbraw/zinc/84/07/37/650840737.db2.gz RTNINUSZKUJDMJ-UHFFFAOYSA-N 2 1 297.468 2.242 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CCCC1 ZINC000852750797 643534132 /nfs/dbraw/zinc/53/41/32/643534132.db2.gz GRBNYWSULPDOJQ-CABCVRRESA-N 2 1 252.402 2.020 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CCCC1 ZINC000852750797 643534138 /nfs/dbraw/zinc/53/41/38/643534138.db2.gz GRBNYWSULPDOJQ-CABCVRRESA-N 2 1 252.402 2.020 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000923283734 643635191 /nfs/dbraw/zinc/63/51/91/643635191.db2.gz XRGUDCKBVGJSBQ-GJZGRUSLSA-N 2 1 256.434 2.249 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000923288919 643641642 /nfs/dbraw/zinc/64/16/42/643641642.db2.gz MNXQYBFMUBXXNA-NVBFEUDRSA-N 2 1 284.350 2.057 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000923288919 643641643 /nfs/dbraw/zinc/64/16/43/643641643.db2.gz MNXQYBFMUBXXNA-NVBFEUDRSA-N 2 1 284.350 2.057 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H](O)CCc1ccccc1 ZINC000923299391 643644386 /nfs/dbraw/zinc/64/43/86/643644386.db2.gz ZGDALDCXRKHKOF-IAGOWNOFSA-N 2 1 278.440 2.285 20 0 CEADMP C[N@H+](CCC[NH3+])C[C@H](O)c1ccc(Cl)cc1Cl ZINC000923292114 643645409 /nfs/dbraw/zinc/64/54/09/643645409.db2.gz SXEQBQSESWINKZ-LBPRGKRZSA-N 2 1 277.195 2.307 20 0 CEADMP C[N@@H+](CCC[NH3+])C[C@H](O)c1ccc(Cl)cc1Cl ZINC000923292114 643645411 /nfs/dbraw/zinc/64/54/11/643645411.db2.gz SXEQBQSESWINKZ-LBPRGKRZSA-N 2 1 277.195 2.307 20 0 CEADMP CC1CCC(O)(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000853092286 643650172 /nfs/dbraw/zinc/65/01/72/643650172.db2.gz JFHPNFCUUAAOLT-UHFFFAOYSA-N 2 1 297.468 2.236 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCC[NH2+]C2CC2)C1(C)C ZINC000923314820 643655043 /nfs/dbraw/zinc/65/50/43/643655043.db2.gz YYSZDPNMICGWHR-UONOGXRCSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@@H+](Cc1ccc(F)cc1Cl)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923310879 643658483 /nfs/dbraw/zinc/65/84/83/643658483.db2.gz DHOHSSUCVMILQR-CYBMUJFWSA-N 2 1 298.789 2.289 20 0 CEADMP C[N@H+](Cc1ccc(F)cc1Cl)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923310879 643658485 /nfs/dbraw/zinc/65/84/85/643658485.db2.gz DHOHSSUCVMILQR-CYBMUJFWSA-N 2 1 298.789 2.289 20 0 CEADMP CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923310664 643658935 /nfs/dbraw/zinc/65/89/35/643658935.db2.gz WMFFKKOZTMBYOD-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP CCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923333466 643665894 /nfs/dbraw/zinc/66/58/94/643665894.db2.gz QXQSYMCDJKVSKC-HUUCEWRRSA-N 2 1 254.418 2.003 20 0 CEADMP CC[N@@H+](C[C@H](O)c1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000923336457 643668103 /nfs/dbraw/zinc/66/81/03/643668103.db2.gz SMGHENHWWATNQU-CVEARBPZSA-N 2 1 280.387 2.323 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000923358671 643676901 /nfs/dbraw/zinc/67/69/01/643676901.db2.gz KBKWCVCXCGADJH-ZIAGYGMSSA-N 2 1 277.412 2.449 20 0 CEADMP O[C@@H](CCc1ccccc1)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923365549 643681151 /nfs/dbraw/zinc/68/11/51/643681151.db2.gz FVGGREKDFXGPHV-ZWKOTPCHSA-N 2 1 288.435 2.056 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1C[NH3+] ZINC000923381625 643688608 /nfs/dbraw/zinc/68/86/08/643688608.db2.gz FTRIFYRWJUJQQB-AZKPJATDSA-N 2 1 298.377 2.303 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@H]1C[NH3+] ZINC000923381625 643688610 /nfs/dbraw/zinc/68/86/10/643688610.db2.gz FTRIFYRWJUJQQB-AZKPJATDSA-N 2 1 298.377 2.303 20 0 CEADMP CCc1onc(C)c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000923389792 643689589 /nfs/dbraw/zinc/68/95/89/643689589.db2.gz YFXIBTOXORJNCS-WFASDCNBSA-N 2 1 263.385 2.106 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000923386129 643691727 /nfs/dbraw/zinc/69/17/27/643691727.db2.gz FFYHNLBAAZDFDG-QZTJIDSGSA-N 2 1 288.435 2.432 20 0 CEADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000923388279 643693734 /nfs/dbraw/zinc/69/37/34/643693734.db2.gz HNPAKZZEYQJDCL-GOEBONIOSA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923395589 643695382 /nfs/dbraw/zinc/69/53/82/643695382.db2.gz NZCHSGJJRYCZJW-MJBXVCDLSA-N 2 1 252.402 2.018 20 0 CEADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](C3CCCCC3)C2)C1 ZINC000923395670 643695452 /nfs/dbraw/zinc/69/54/52/643695452.db2.gz PALHZGCODRFCSC-VGWMRTNUSA-N 2 1 266.429 2.129 20 0 CEADMP CCCCCC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923398507 643696698 /nfs/dbraw/zinc/69/66/98/643696698.db2.gz KRFYYCIXBZETKB-KBPBESRZSA-N 2 1 254.418 2.192 20 0 CEADMP CO[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)[C@](C)(C[NH3+])C1 ZINC000923410445 643700218 /nfs/dbraw/zinc/70/02/18/643700218.db2.gz HPZFYIPGZGOKRU-GJZGRUSLSA-N 2 1 266.429 2.395 20 0 CEADMP O[C@H](C[N@@H+]1CC[NH2+]CCC12CCC2)c1ccc(F)cc1 ZINC000923426188 643704929 /nfs/dbraw/zinc/70/49/29/643704929.db2.gz LGUURBWESYVOPK-OAHLLOKOSA-N 2 1 278.371 2.077 20 0 CEADMP O[C@H](C[N@H+]1CC[NH2+]CCC12CCC2)c1ccc(F)cc1 ZINC000923426188 643704933 /nfs/dbraw/zinc/70/49/33/643704933.db2.gz LGUURBWESYVOPK-OAHLLOKOSA-N 2 1 278.371 2.077 20 0 CEADMP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)CC1CCCC1 ZINC000923428854 643707216 /nfs/dbraw/zinc/70/72/16/643707216.db2.gz LQEQLPAHWXSOMX-CABCVRRESA-N 2 1 266.429 2.192 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC000923448583 643716332 /nfs/dbraw/zinc/71/63/32/643716332.db2.gz UVMGMSDMYDZDPQ-UHFFFAOYSA-N 2 1 290.333 2.237 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000923481271 643732092 /nfs/dbraw/zinc/73/20/92/643732092.db2.gz OMPZYHPVSGXJKY-AWEZNQCLSA-N 2 1 282.391 2.314 20 0 CEADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)c(F)c1 ZINC000923485356 643733119 /nfs/dbraw/zinc/73/31/19/643733119.db2.gz IRSBXKIYPLSTNU-OLZOCXBDSA-N 2 1 293.386 2.132 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@H]1C[NH3+] ZINC000923496155 643734435 /nfs/dbraw/zinc/73/44/35/643734435.db2.gz HGSFNUWEZPFEBX-HOCLYGCPSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ncccc2Br)CC[C@@H]1C[NH3+] ZINC000923488359 643735345 /nfs/dbraw/zinc/73/53/45/643735345.db2.gz DTVIELMJOKNYKG-WDEREUQCSA-N 2 1 298.228 2.261 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923502999 643739712 /nfs/dbraw/zinc/73/97/12/643739712.db2.gz FWMBDQGNHPZRLI-SOUVJXGZSA-N 2 1 289.423 2.239 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2N(C)C)CC[C@H]1C[NH3+] ZINC000923500391 643740484 /nfs/dbraw/zinc/74/04/84/643740484.db2.gz OFXKXAKXOJCHHV-KBPBESRZSA-N 2 1 261.413 2.169 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923499655 643741281 /nfs/dbraw/zinc/74/12/81/643741281.db2.gz MQLOYVMRIAAPBT-JYJNAYRXSA-N 2 1 297.487 2.378 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)CC[C@@H]1C[NH3+] ZINC000923500939 643742425 /nfs/dbraw/zinc/74/24/25/643742425.db2.gz SGNOFTFWVLIJMN-GHMZBOCLSA-N 2 1 254.324 2.382 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000923510975 643746504 /nfs/dbraw/zinc/74/65/04/643746504.db2.gz YUFUZBAMOJGQKQ-CABCVRRESA-N 2 1 289.423 2.159 20 0 CEADMP c1ccc(-c2ncc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cn2)cc1 ZINC000923515080 643746966 /nfs/dbraw/zinc/74/69/66/643746966.db2.gz CLTNOTGDRVFOHR-DLBZAZTESA-N 2 1 294.402 2.185 20 0 CEADMP c1ccc(-c2ncc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cn2)cc1 ZINC000923515080 643746970 /nfs/dbraw/zinc/74/69/70/643746970.db2.gz CLTNOTGDRVFOHR-DLBZAZTESA-N 2 1 294.402 2.185 20 0 CEADMP C[C@@H](COCc1ccccc1)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515369 643747080 /nfs/dbraw/zinc/74/70/80/643747080.db2.gz FAMHOXPJQAYRMJ-BPQIPLTHSA-N 2 1 288.435 2.381 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520353 643748020 /nfs/dbraw/zinc/74/80/20/643748020.db2.gz WLJDDCLTSRKKHJ-QKPAOTATSA-N 2 1 266.429 2.123 20 0 CEADMP Fc1cc(OCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1Cl ZINC000923518929 643748175 /nfs/dbraw/zinc/74/81/75/643748175.db2.gz GPARRXNCPICOGG-NWDGAFQWSA-N 2 1 298.789 2.399 20 0 CEADMP ClC1(Cl)C[C@@H]1CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521241 643749113 /nfs/dbraw/zinc/74/91/13/643749113.db2.gz KQZNQNCCEWPSEJ-AXFHLTTASA-N 2 1 263.212 2.112 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923549045 643757092 /nfs/dbraw/zinc/75/70/92/643757092.db2.gz FCFYHUCVFQBUAI-ZBFHGGJFSA-N 2 1 266.429 2.125 20 0 CEADMP CC(C)C[C@H]1CN(C)CC[N@H+]1CCCCCC[NH3+] ZINC000923552861 643759115 /nfs/dbraw/zinc/75/91/15/643759115.db2.gz DYLBPRCXRZYNPB-HNNXBMFYSA-N 2 1 255.450 2.168 20 0 CEADMP c1ccc(CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000923556867 643763196 /nfs/dbraw/zinc/76/31/96/643763196.db2.gz YSTCCVSNGOSIDS-KRWDZBQOSA-N 2 1 286.419 2.215 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877738155 650879667 /nfs/dbraw/zinc/87/96/67/650879667.db2.gz AFPGCIUVGVFMEC-RBSFLKMASA-N 2 1 254.418 2.074 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877738155 650879669 /nfs/dbraw/zinc/87/96/69/650879669.db2.gz AFPGCIUVGVFMEC-RBSFLKMASA-N 2 1 254.418 2.074 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877738155 650879671 /nfs/dbraw/zinc/87/96/71/650879671.db2.gz AFPGCIUVGVFMEC-RBSFLKMASA-N 2 1 254.418 2.074 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)C1CCCC1 ZINC000877740968 650884811 /nfs/dbraw/zinc/88/48/11/650884811.db2.gz LKRJODFNVJAWQA-ARFHVFGLSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)C1CCCC1 ZINC000877740968 650884813 /nfs/dbraw/zinc/88/48/13/650884813.db2.gz LKRJODFNVJAWQA-ARFHVFGLSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)C1CCCC1 ZINC000877740968 650884818 /nfs/dbraw/zinc/88/48/18/650884818.db2.gz LKRJODFNVJAWQA-ARFHVFGLSA-N 2 1 266.429 2.218 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)C3CC3)C2)CC1 ZINC000838813067 644027228 /nfs/dbraw/zinc/02/72/28/644027228.db2.gz UOJVPKFWFXANAJ-RDJZCZTQSA-N 2 1 280.456 2.201 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4c[nH]nc4c3)CC[C@H]21 ZINC000877742907 650887611 /nfs/dbraw/zinc/88/76/11/650887611.db2.gz HBKVKRFSJQKKDI-GOEBONIOSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc4c[nH]nc4c3)CC[C@H]21 ZINC000877742907 650887614 /nfs/dbraw/zinc/88/76/14/650887614.db2.gz HBKVKRFSJQKKDI-GOEBONIOSA-N 2 1 270.380 2.089 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)CC[C@H]21 ZINC000877742907 650887617 /nfs/dbraw/zinc/88/76/17/650887617.db2.gz HBKVKRFSJQKKDI-GOEBONIOSA-N 2 1 270.380 2.089 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)CC[C@H]21 ZINC000877742907 650887619 /nfs/dbraw/zinc/88/76/19/650887619.db2.gz HBKVKRFSJQKKDI-GOEBONIOSA-N 2 1 270.380 2.089 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877743716 650888958 /nfs/dbraw/zinc/88/89/58/650888958.db2.gz LXMSHRXBJBFOQH-HOCLYGCPSA-N 2 1 260.381 2.221 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877743716 650888961 /nfs/dbraw/zinc/88/89/61/650888961.db2.gz LXMSHRXBJBFOQH-HOCLYGCPSA-N 2 1 260.381 2.221 20 0 CEADMP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000877743716 650888964 /nfs/dbraw/zinc/88/89/64/650888964.db2.gz LXMSHRXBJBFOQH-HOCLYGCPSA-N 2 1 260.381 2.221 20 0 CEADMP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877743716 650888966 /nfs/dbraw/zinc/88/89/66/650888966.db2.gz LXMSHRXBJBFOQH-HOCLYGCPSA-N 2 1 260.381 2.221 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877743718 650889428 /nfs/dbraw/zinc/88/94/28/650889428.db2.gz LXMSHRXBJBFOQH-ZBFHGGJFSA-N 2 1 260.381 2.221 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877743718 650889431 /nfs/dbraw/zinc/88/94/31/650889431.db2.gz LXMSHRXBJBFOQH-ZBFHGGJFSA-N 2 1 260.381 2.221 20 0 CEADMP COc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000877743718 650889434 /nfs/dbraw/zinc/88/94/34/650889434.db2.gz LXMSHRXBJBFOQH-ZBFHGGJFSA-N 2 1 260.381 2.221 20 0 CEADMP COc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877743718 650889439 /nfs/dbraw/zinc/88/94/39/650889439.db2.gz LXMSHRXBJBFOQH-ZBFHGGJFSA-N 2 1 260.381 2.221 20 0 CEADMP Cc1ccc(CCC[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cn1 ZINC000877743813 650890782 /nfs/dbraw/zinc/89/07/82/650890782.db2.gz YLMFIHLSPYZRDU-SJORKVTESA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cn1 ZINC000877743813 650890786 /nfs/dbraw/zinc/89/07/86/650890786.db2.gz YLMFIHLSPYZRDU-SJORKVTESA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cn1 ZINC000877743813 650890789 /nfs/dbraw/zinc/89/07/89/650890789.db2.gz YLMFIHLSPYZRDU-SJORKVTESA-N 2 1 273.424 2.349 20 0 CEADMP Clc1cccc(CC[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000838938255 644093420 /nfs/dbraw/zinc/09/34/20/644093420.db2.gz AIBSJVSZHREGAQ-CVEARBPZSA-N 2 1 294.826 2.335 20 0 CEADMP Clc1cccc(CC[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000838938255 644093422 /nfs/dbraw/zinc/09/34/22/644093422.db2.gz AIBSJVSZHREGAQ-CVEARBPZSA-N 2 1 294.826 2.335 20 0 CEADMP CC(C)C[N@H+](Cc1ccnn1C)CC1CC[NH+](C)CC1 ZINC000877767514 650903329 /nfs/dbraw/zinc/90/33/29/650903329.db2.gz LNBZGRMQPPMOHV-UHFFFAOYSA-N 2 1 278.444 2.220 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H](CCO)c1cccs1 ZINC000755047434 644464288 /nfs/dbraw/zinc/46/42/88/644464288.db2.gz FWPFNXCXGOLEHK-ZDUSSCGKSA-N 2 1 270.442 2.493 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000877971128 650962612 /nfs/dbraw/zinc/96/26/12/650962612.db2.gz VSXCMOMTZCWWBX-UHFFFAOYSA-N 2 1 277.412 2.327 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2ccc(C)cc2)C1 ZINC000011888951 644948546 /nfs/dbraw/zinc/94/85/46/644948546.db2.gz ARWGZTYADNQVRX-OAHLLOKOSA-N 2 1 262.397 2.305 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858106545 645062207 /nfs/dbraw/zinc/06/22/07/645062207.db2.gz KZAQRPMWAGVLHZ-ZDUSSCGKSA-N 2 1 251.349 2.042 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858106545 645062209 /nfs/dbraw/zinc/06/22/09/645062209.db2.gz KZAQRPMWAGVLHZ-ZDUSSCGKSA-N 2 1 251.349 2.042 20 0 CEADMP CCCn1cc[nH+]c1CCCN(C)c1cc[nH+]c(CO)c1 ZINC000858515179 645187987 /nfs/dbraw/zinc/18/79/87/645187987.db2.gz DSTVXYRQMNISCG-UHFFFAOYSA-N 2 1 288.395 2.249 20 0 CEADMP COC(=O)/C(C)=C\C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213967 645421699 /nfs/dbraw/zinc/42/16/99/645421699.db2.gz CNDCPXJNKFZRHN-UVTDQMKNSA-N 2 1 290.407 2.299 20 0 CEADMP CCCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215026 645423213 /nfs/dbraw/zinc/42/32/13/645423213.db2.gz XHOFMMMDOBLWNW-AWEZNQCLSA-N 2 1 291.439 2.095 20 0 CEADMP CCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215026 645423218 /nfs/dbraw/zinc/42/32/18/645423218.db2.gz XHOFMMMDOBLWNW-AWEZNQCLSA-N 2 1 291.439 2.095 20 0 CEADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000860180365 645728585 /nfs/dbraw/zinc/72/85/85/645728585.db2.gz QXVPLFYGENSQCA-VNHAASDWSA-N 2 1 266.429 2.121 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)C2CC2)CC1 ZINC000767371546 645983293 /nfs/dbraw/zinc/98/32/93/645983293.db2.gz QGTYMDKKIIQZRH-UHFFFAOYSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1[nH+]ccn1CCCOC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000767642104 646016642 /nfs/dbraw/zinc/01/66/42/646016642.db2.gz ITPOVTKPDROCQS-MCIONIFRSA-N 2 1 293.411 2.386 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1ccnc(F)c1C ZINC000862295057 646396326 /nfs/dbraw/zinc/39/63/26/646396326.db2.gz XAACZBLAIDUUHU-UHFFFAOYSA-N 2 1 253.365 2.351 20 0 CEADMP CC[C@H]1C[C@H](C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCO1 ZINC000863650931 646777060 /nfs/dbraw/zinc/77/70/60/646777060.db2.gz FIGATEHIHWPAIX-QXSJWSMHSA-N 2 1 266.429 2.123 20 0 CEADMP Cc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])c(-c2cnn(C)c2)c1 ZINC000863651798 646777064 /nfs/dbraw/zinc/77/70/64/646777064.db2.gz NIJAQSYHWXLUMZ-ZDUSSCGKSA-N 2 1 272.396 2.175 20 0 CEADMP Cc1ccc(C[N@H+](C)C[C@H](C)[NH3+])c(-c2cnn(C)c2)c1 ZINC000863651798 646777066 /nfs/dbraw/zinc/77/70/66/646777066.db2.gz NIJAQSYHWXLUMZ-ZDUSSCGKSA-N 2 1 272.396 2.175 20 0 CEADMP COc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1O ZINC000774245908 646823764 /nfs/dbraw/zinc/82/37/64/646823764.db2.gz WCENMSLZKSVGSV-GOOCMWNKSA-N 2 1 290.407 2.158 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000864055006 646874890 /nfs/dbraw/zinc/87/48/90/646874890.db2.gz GCVVQOYUVJRWEO-GFCCVEGCSA-N 2 1 251.349 2.089 20 0 CEADMP C([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000775369819 646946484 /nfs/dbraw/zinc/94/64/84/646946484.db2.gz RKYYWXPEWXXCQI-PMOUVXMZSA-N 2 1 298.521 2.440 20 0 CEADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000864453384 647009566 /nfs/dbraw/zinc/00/95/66/647009566.db2.gz ZHWHHNDPNZUWRC-FRRDWIJNSA-N 2 1 292.452 2.407 20 0 CEADMP CC[C@H]1CCN(C(=[NH2+])NC[C@H]2CCCC[N@H+]2CC)C1 ZINC000864458849 647013851 /nfs/dbraw/zinc/01/38/51/647013851.db2.gz URYGLMBZMQHXFS-UONOGXRCSA-N 2 1 266.433 2.117 20 0 CEADMP COCCc1ncc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000865483673 647318729 /nfs/dbraw/zinc/31/87/29/647318729.db2.gz OJZXNKBQARTATR-QWHCGFSZSA-N 2 1 297.468 2.294 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000779396851 647319043 /nfs/dbraw/zinc/31/90/43/647319043.db2.gz QZGPSCCDUMIAFK-KGLIPLIRSA-N 2 1 282.453 2.321 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000779396851 647319046 /nfs/dbraw/zinc/31/90/46/647319046.db2.gz QZGPSCCDUMIAFK-KGLIPLIRSA-N 2 1 282.453 2.321 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cn(C3CC3)cn2)C1 ZINC000865600197 647379149 /nfs/dbraw/zinc/37/91/49/647379149.db2.gz HAEQNIWPRFEPHK-ZDUSSCGKSA-N 2 1 262.401 2.040 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H](O)C2CCCC2)CC1(C)C ZINC000865877869 647520437 /nfs/dbraw/zinc/52/04/37/647520437.db2.gz UQAFBYHRUODJBN-LSDHHAIUSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000866274161 647711216 /nfs/dbraw/zinc/71/12/16/647711216.db2.gz XBQZHMHBUKCWOV-IJEWVQPXSA-N 2 1 261.413 2.475 20 0 CEADMP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000866274161 647711221 /nfs/dbraw/zinc/71/12/21/647711221.db2.gz XBQZHMHBUKCWOV-IJEWVQPXSA-N 2 1 261.413 2.475 20 0 CEADMP Cn1cc(C(F)F)c(CN[C@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000866568254 647828512 /nfs/dbraw/zinc/82/85/12/647828512.db2.gz SANJONUHOHLPIC-VHRBIJSZSA-N 2 1 298.381 2.320 20 0 CEADMP Cn1cc(C(F)F)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000866568254 647828517 /nfs/dbraw/zinc/82/85/17/647828517.db2.gz SANJONUHOHLPIC-VHRBIJSZSA-N 2 1 298.381 2.320 20 0 CEADMP Cn1cc(C(F)F)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000866568254 647828518 /nfs/dbraw/zinc/82/85/18/647828518.db2.gz SANJONUHOHLPIC-VHRBIJSZSA-N 2 1 298.381 2.320 20 0 CEADMP Cc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])nc1Cl ZINC000866662208 647859949 /nfs/dbraw/zinc/85/99/49/647859949.db2.gz ZCMDUHBTBDGYAW-UHFFFAOYSA-N 2 1 255.793 2.460 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CCc2cccc3c2OC(F)(F)O3)C1 ZINC000866659320 647858325 /nfs/dbraw/zinc/85/83/25/647858325.db2.gz JZDYVMRFTNEOAZ-LLVKDONJSA-N 2 1 298.333 2.221 20 0 CEADMP Cc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])nc1Cl ZINC000866662208 647859944 /nfs/dbraw/zinc/85/99/44/647859944.db2.gz ZCMDUHBTBDGYAW-UHFFFAOYSA-N 2 1 255.793 2.460 20 0 CEADMP C[N@@H+](Cc1cccc2c1CCOC2)C1CCC([NH3+])CC1 ZINC000866662068 647859998 /nfs/dbraw/zinc/85/99/98/647859998.db2.gz WLDHJLJZNBCXKR-UHFFFAOYSA-N 2 1 274.408 2.461 20 0 CEADMP CC1(C)CC[C@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)OC1 ZINC000866662508 647860175 /nfs/dbraw/zinc/86/01/75/647860175.db2.gz VQLFNSMEZFTGIS-OAHLLOKOSA-N 2 1 266.429 2.408 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H](OC)CC[C@@H]2C)cc1 ZINC000866685258 647868578 /nfs/dbraw/zinc/86/85/78/647868578.db2.gz GOFAMCKMSSNBFO-YSVLISHTSA-N 2 1 292.423 2.237 20 0 CEADMP COc1ccccc1[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000866703595 647875422 /nfs/dbraw/zinc/87/54/22/647875422.db2.gz MGTPDKCCXGDQQO-KRWDZBQOSA-N 2 1 290.407 2.068 20 0 CEADMP CC(C)COCC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705958 647876594 /nfs/dbraw/zinc/87/65/94/647876594.db2.gz DBGGZAACOSLMCA-HNNXBMFYSA-N 2 1 256.434 2.356 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc2c1COC2 ZINC000866717614 647880496 /nfs/dbraw/zinc/88/04/96/647880496.db2.gz KFZUKZGCYJPDLN-PBHICJAKSA-N 2 1 272.392 2.291 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000788482756 648192893 /nfs/dbraw/zinc/19/28/93/648192893.db2.gz NODDXMZJYSVRFA-QGZVFWFLSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC(CN2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000788482756 648192897 /nfs/dbraw/zinc/19/28/97/648192897.db2.gz NODDXMZJYSVRFA-QGZVFWFLSA-N 2 1 279.472 2.279 20 0 CEADMP C[N@H+]1CCN(C(=O)CCCC[NH+]2CCCC2)CCC1(C)C ZINC000871153004 649013435 /nfs/dbraw/zinc/01/34/35/649013435.db2.gz BZEFDBAXUQALNF-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP C[C@H]1C[C@@H](C(=O)NC2CCC(C)([NH+](C)C)CC2)CC[N@H+]1C ZINC000871360193 649071054 /nfs/dbraw/zinc/07/10/54/649071054.db2.gz LCMJDFOSIZRXKT-JPQBHMHHSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[C@H]1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785107 649184073 /nfs/dbraw/zinc/18/40/73/649184073.db2.gz RJRDMOHLOIHJAE-FOJMLEQCSA-N 2 1 251.374 2.014 20 0 CEADMP C[C@@H]1C[C@H]1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785107 649184076 /nfs/dbraw/zinc/18/40/76/649184076.db2.gz RJRDMOHLOIHJAE-FOJMLEQCSA-N 2 1 251.374 2.014 20 0 CEADMP C[C@@H]1C[C@H](CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000871784708 649184241 /nfs/dbraw/zinc/18/42/41/649184241.db2.gz IXMNMTVZYYOJTA-MLQJFRMTSA-N 2 1 295.427 2.173 20 0 CEADMP C[C@@H]1C[C@H](CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000871784708 649184244 /nfs/dbraw/zinc/18/42/44/649184244.db2.gz IXMNMTVZYYOJTA-MLQJFRMTSA-N 2 1 295.427 2.173 20 0 CEADMP C[C@H]1C[C@H]1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785108 649184704 /nfs/dbraw/zinc/18/47/04/649184704.db2.gz RJRDMOHLOIHJAE-HNMFLPSRSA-N 2 1 251.374 2.014 20 0 CEADMP C[C@H]1C[C@H]1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785108 649184706 /nfs/dbraw/zinc/18/47/06/649184706.db2.gz RJRDMOHLOIHJAE-HNMFLPSRSA-N 2 1 251.374 2.014 20 0 CEADMP CC(C)C[C@H]([NH3+])c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871792406 649188719 /nfs/dbraw/zinc/18/87/19/649188719.db2.gz ZBIJDZBTGPAISR-YATPEIPISA-N 2 1 264.373 2.114 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(O)c1F ZINC000872053547 649255596 /nfs/dbraw/zinc/25/55/96/649255596.db2.gz LARKYDQMCVTBEA-NSHDSACASA-N 2 1 264.344 2.444 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141516 649290802 /nfs/dbraw/zinc/29/08/02/649290802.db2.gz KIJZGIHXMLOHHS-IHRRRGAJSA-N 2 1 252.402 2.005 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1C ZINC000872141909 649291423 /nfs/dbraw/zinc/29/14/23/649291423.db2.gz ZGNNSEOLJDTBOV-UKRRQHHQSA-N 2 1 290.407 2.341 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000872143162 649291940 /nfs/dbraw/zinc/29/19/40/649291940.db2.gz MVXPSEZECUIWCO-KKUMJFAQSA-N 2 1 266.429 2.123 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000872143613 649293316 /nfs/dbraw/zinc/29/33/16/649293316.db2.gz UQISVBCSIPSFAF-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@H]1CC3(CCC3)CO1)CC[NH2+]CC2 ZINC000872144100 649293900 /nfs/dbraw/zinc/29/39/00/649293900.db2.gz CHYOISGVIJRIPI-LSDHHAIUSA-N 2 1 278.440 2.410 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccncc2)C[C@@H]1C(F)(F)F ZINC000872150643 649297531 /nfs/dbraw/zinc/29/75/31/649297531.db2.gz YIWWQKBOGARMOL-STQMWFEESA-N 2 1 287.329 2.083 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000872153514 649297706 /nfs/dbraw/zinc/29/77/06/649297706.db2.gz DNXCCPHPOPXTKL-IJLUTSLNSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCc1cccc(F)c1)C2 ZINC000872154125 649298701 /nfs/dbraw/zinc/29/87/01/649298701.db2.gz NRURKFDJMMTYMW-GOEBONIOSA-N 2 1 262.372 2.300 20 0 CEADMP COCC1([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CCC1 ZINC000872157622 649300039 /nfs/dbraw/zinc/30/00/39/649300039.db2.gz OELWPXGEPDFEOH-UHFFFAOYSA-N 2 1 274.408 2.333 20 0 CEADMP c1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C2CC2)c[nH+]1 ZINC000872414900 649385279 /nfs/dbraw/zinc/38/52/79/649385279.db2.gz SYBPWPPXNMUDFN-KGLIPLIRSA-N 2 1 257.381 2.420 20 0 CEADMP C[C@@H]1CN(c2cc[nH+]cc2C2CC2)CC[N@H+]1CC(C)(C)O ZINC000872517849 649411687 /nfs/dbraw/zinc/41/16/87/649411687.db2.gz ZXWRTVAXNFETHN-CYBMUJFWSA-N 2 1 289.423 2.240 20 0 CEADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)Cn1ccsc1=O ZINC000872743707 649474544 /nfs/dbraw/zinc/47/45/44/649474544.db2.gz HMIBUWYHSCCPGX-UHFFFAOYSA-N 2 1 297.468 2.167 20 0 CEADMP c1c(C[N@H+](C[C@H]2CCOC2)C2CC2)sc2c1C[NH2+]CC2 ZINC000873201983 649586320 /nfs/dbraw/zinc/58/63/20/649586320.db2.gz IMKWKDVCNSHJPA-GFCCVEGCSA-N 2 1 292.448 2.395 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200759 649586368 /nfs/dbraw/zinc/58/63/68/649586368.db2.gz FRIXEDPUGNUGSQ-CQSZACIVSA-N 3 1 281.469 2.199 20 0 CEADMP CC(C)[C@H]([NH3+])CCN(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200759 649586372 /nfs/dbraw/zinc/58/63/72/649586372.db2.gz FRIXEDPUGNUGSQ-CQSZACIVSA-N 2 1 281.469 2.199 20 0 CEADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873202060 649586512 /nfs/dbraw/zinc/58/65/12/649586512.db2.gz RBRIXQGFAZTXCG-PBWFPOADSA-N 3 1 291.464 2.109 20 0 CEADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873202060 649586517 /nfs/dbraw/zinc/58/65/17/649586517.db2.gz RBRIXQGFAZTXCG-PBWFPOADSA-N 3 1 291.464 2.109 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1C[NH3+] ZINC000873213593 649592293 /nfs/dbraw/zinc/59/22/93/649592293.db2.gz INPCBWOSARKFIT-YRGRVCCFSA-N 3 1 293.480 2.199 20 0 CEADMP C[C@@H]1C[C@@H](C)N(Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1C[NH3+] ZINC000873213593 649592297 /nfs/dbraw/zinc/59/22/97/649592297.db2.gz INPCBWOSARKFIT-YRGRVCCFSA-N 2 1 293.480 2.199 20 0 CEADMP c1c(CN[C@@H]2CC[NH2+]C3(CCC3)C2)sc2c1C[NH2+]CC2 ZINC000873213037 649592307 /nfs/dbraw/zinc/59/23/07/649592307.db2.gz UTYRVHMQKWQNIP-CYBMUJFWSA-N 2 1 291.464 2.158 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000873219904 649594936 /nfs/dbraw/zinc/59/49/36/649594936.db2.gz HGWMQVIZWHNUHN-JCGIZDLHSA-N 3 1 287.451 2.457 20 0 CEADMP COCCC1([NH2+]Cc2ccc(OC)cc2F)CC[NH2+]CC1 ZINC000873225583 649598226 /nfs/dbraw/zinc/59/82/26/649598226.db2.gz UCHVYKGXRHVYNX-UHFFFAOYSA-N 2 1 296.386 2.083 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)CC[NH2+]1 ZINC000873228275 649599598 /nfs/dbraw/zinc/59/95/98/649599598.db2.gz BTTHJZQTDDLRCR-YVECIDJPSA-N 2 1 294.361 2.416 20 0 CEADMP CC(C)([NH3+])C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231814 649603627 /nfs/dbraw/zinc/60/36/27/649603627.db2.gz DRFLSBYRECHEQG-HIFRSBDPSA-N 3 1 267.461 2.343 20 0 CEADMP CC(C)([NH3+])CN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231814 649603631 /nfs/dbraw/zinc/60/36/31/649603631.db2.gz DRFLSBYRECHEQG-HIFRSBDPSA-N 2 1 267.461 2.343 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2noc3ccc(F)cc23)C1 ZINC000873250252 649609141 /nfs/dbraw/zinc/60/91/41/649609141.db2.gz QJPFMXZFAQQSBH-WDEREUQCSA-N 2 1 263.316 2.326 20 0 CEADMP C[C@H]([NH2+]CCSCCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000873253418 649611102 /nfs/dbraw/zinc/61/11/02/649611102.db2.gz XKDBKYIZIMGZHE-UWVGGRQHSA-N 2 1 270.364 2.402 20 0 CEADMP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873272798 649620214 /nfs/dbraw/zinc/62/02/14/649620214.db2.gz BYFIYYRUIOANMX-UMSGYPCISA-N 2 1 292.345 2.240 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@@H](N)c2ccccc21)C1CC[NH2+]CC1 ZINC000873271704 649620468 /nfs/dbraw/zinc/62/04/68/649620468.db2.gz LMXKRBDGXZQXOW-IUIKQTSFSA-N 2 1 259.397 2.109 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC000873282829 649624767 /nfs/dbraw/zinc/62/47/67/649624767.db2.gz HQNPOTLLALSZQN-NWDGAFQWSA-N 2 1 275.352 2.283 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1c[nH+]ccc1N ZINC000873282189 649624998 /nfs/dbraw/zinc/62/49/98/649624998.db2.gz RKUNJPPHAONQFI-OXIQGZBJSA-N 2 1 261.369 2.102 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC000873282831 649625115 /nfs/dbraw/zinc/62/51/15/649625115.db2.gz HQNPOTLLALSZQN-VXGBXAGGSA-N 2 1 275.352 2.283 20 0 CEADMP C=C/C=C\CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000878325545 651068386 /nfs/dbraw/zinc/06/83/86/651068386.db2.gz SSZFFIVKSFQYSB-JEZUCGJFSA-N 2 1 277.456 2.077 20 0 CEADMP CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H]1CCCC[C@@H]1C ZINC000878474672 651106209 /nfs/dbraw/zinc/10/62/09/651106209.db2.gz DDWFMERZPTVWDZ-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1conc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000878549045 651127085 /nfs/dbraw/zinc/12/70/85/651127085.db2.gz CZARCJWIOZWNIQ-UHFFFAOYSA-N 2 1 263.385 2.291 20 0 CEADMP CC(C)[C@H](O)CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878746660 651178301 /nfs/dbraw/zinc/17/83/01/651178301.db2.gz BMCHZJOYFWFUSB-MRXNPFEDSA-N 2 1 277.412 2.001 20 0 CEADMP CCCCCCNC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878865549 651200413 /nfs/dbraw/zinc/20/04/13/651200413.db2.gz JXPDBVNUTFBHIY-UHFFFAOYSA-N 2 1 295.471 2.101 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879562099 651322019 /nfs/dbraw/zinc/32/20/19/651322019.db2.gz AGBIBHPWLVVDNN-UONOGXRCSA-N 2 1 265.426 2.267 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879562099 651322021 /nfs/dbraw/zinc/32/20/21/651322021.db2.gz AGBIBHPWLVVDNN-UONOGXRCSA-N 2 1 265.426 2.267 20 0 CEADMP Cc1ccccc1OCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879568096 651323530 /nfs/dbraw/zinc/32/35/30/651323530.db2.gz YJNPZTFCOXEEEV-CVEARBPZSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccccc1OCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879568096 651323531 /nfs/dbraw/zinc/32/35/31/651323531.db2.gz YJNPZTFCOXEEEV-CVEARBPZSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879568096 651323532 /nfs/dbraw/zinc/32/35/32/651323532.db2.gz YJNPZTFCOXEEEV-CVEARBPZSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879568096 651323533 /nfs/dbraw/zinc/32/35/33/651323533.db2.gz YJNPZTFCOXEEEV-CVEARBPZSA-N 2 1 274.408 2.400 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3)CC[C@H]21 ZINC000879572730 651323947 /nfs/dbraw/zinc/32/39/47/651323947.db2.gz QOMXUEWLSZHOLU-GDBMZVCRSA-N 2 1 287.407 2.041 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3)CC[C@H]21 ZINC000879572730 651323948 /nfs/dbraw/zinc/32/39/48/651323948.db2.gz QOMXUEWLSZHOLU-GDBMZVCRSA-N 2 1 287.407 2.041 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3)CC[C@H]21 ZINC000879572730 651323949 /nfs/dbraw/zinc/32/39/49/651323949.db2.gz QOMXUEWLSZHOLU-GDBMZVCRSA-N 2 1 287.407 2.041 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3)CC[C@H]21 ZINC000879572730 651323950 /nfs/dbraw/zinc/32/39/50/651323950.db2.gz QOMXUEWLSZHOLU-GDBMZVCRSA-N 2 1 287.407 2.041 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671911 651337941 /nfs/dbraw/zinc/33/79/41/651337941.db2.gz MJSAZGJQOHBGRJ-YNEHKIRRSA-N 2 1 294.361 2.174 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671911 651337943 /nfs/dbraw/zinc/33/79/43/651337943.db2.gz MJSAZGJQOHBGRJ-YNEHKIRRSA-N 2 1 294.361 2.174 20 0 CEADMP CC(C)C[N@@H+](CCC1OCCO1)CC1CC[NH+](C)CC1 ZINC000879704120 651341731 /nfs/dbraw/zinc/34/17/31/651341731.db2.gz LOQORNVQXQNVHR-UHFFFAOYSA-N 2 1 284.444 2.049 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879734230 651344482 /nfs/dbraw/zinc/34/44/82/651344482.db2.gz GOFJIZMUVORXCL-CQSZACIVSA-N 2 1 263.385 2.044 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2Cl)CC[N@@H+]1C ZINC000128139647 651375470 /nfs/dbraw/zinc/37/54/70/651375470.db2.gz IPGUOBBHRRVKNE-HUBLWGQQSA-N 2 1 282.815 2.446 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2Cl)CC[N@H+]1C ZINC000128139647 651375472 /nfs/dbraw/zinc/37/54/72/651375472.db2.gz IPGUOBBHRRVKNE-HUBLWGQQSA-N 2 1 282.815 2.446 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)CCN1c1cc[nH+]cc1 ZINC000880258316 651411313 /nfs/dbraw/zinc/41/13/13/651411313.db2.gz FUMNDZOQEURTSQ-CABCVRRESA-N 2 1 275.396 2.019 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258102 651411387 /nfs/dbraw/zinc/41/13/87/651411387.db2.gz CFEVDSNQOHVMRU-QLFBSQMISA-N 2 1 275.396 2.017 20 0 CEADMP C[C@H](c1cnccn1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261882 651412511 /nfs/dbraw/zinc/41/25/11/651412511.db2.gz ZMBQXGMLMMMIOI-ZIAGYGMSSA-N 2 1 283.379 2.143 20 0 CEADMP C[C@H](c1cnccn1)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261882 651412512 /nfs/dbraw/zinc/41/25/12/651412512.db2.gz ZMBQXGMLMMMIOI-ZIAGYGMSSA-N 2 1 283.379 2.143 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2nccs2)C1 ZINC000880319116 651424110 /nfs/dbraw/zinc/42/41/10/651424110.db2.gz AZJZVBBMWSEKNP-STQMWFEESA-N 2 1 265.426 2.417 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880319116 651424112 /nfs/dbraw/zinc/42/41/12/651424112.db2.gz AZJZVBBMWSEKNP-STQMWFEESA-N 2 1 265.426 2.417 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880319116 651424113 /nfs/dbraw/zinc/42/41/13/651424113.db2.gz AZJZVBBMWSEKNP-STQMWFEESA-N 2 1 265.426 2.417 20 0 CEADMP COC(=O)C(C)(C)C[N@@H+](CCc1cncn1C)CC(C)C ZINC000880383270 651433753 /nfs/dbraw/zinc/43/37/53/651433753.db2.gz YUZISNRELCZZRN-UHFFFAOYSA-N 2 1 295.427 2.120 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000880517748 651454172 /nfs/dbraw/zinc/45/41/72/651454172.db2.gz VTAARDJWGGYPKJ-HNNXBMFYSA-N 2 1 294.439 2.280 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000882991292 652310521 /nfs/dbraw/zinc/31/05/21/652310521.db2.gz UALKFOSXYNKRJD-LTIDMASMSA-N 2 1 280.456 2.392 20 0 CEADMP COC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)[C@H]1CCCOC1 ZINC000883192814 652395494 /nfs/dbraw/zinc/39/54/94/652395494.db2.gz IKNWWCYSPZKOIU-JKSUJKDBSA-N 2 1 295.427 2.003 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)[C@@H](C)C1 ZINC000883356303 652440331 /nfs/dbraw/zinc/44/03/31/652440331.db2.gz KPWFSPIZZNLAIV-KKUMJFAQSA-N 2 1 266.429 2.408 20 0 CEADMP C1CO[C@@]2(C1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883368259 652446591 /nfs/dbraw/zinc/44/65/91/652446591.db2.gz LTUHTHDGWGQADA-XUWVNRHRSA-N 2 1 264.413 2.305 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000131666937 652449132 /nfs/dbraw/zinc/44/91/32/652449132.db2.gz IOAHUDFXXHMOTD-HNNXBMFYSA-N 2 1 286.485 2.361 20 0 CEADMP C[N@@H+](CCc1ccccc1Br)C1CC([NH3+])C1 ZINC000883429262 652466659 /nfs/dbraw/zinc/46/66/59/652466659.db2.gz QTBHIZKMHMWPBQ-UHFFFAOYSA-N 2 1 283.213 2.413 20 0 CEADMP COCC[NH2+]C1CC[NH+](C[C@H]2CCCC(C)(C)O2)CC1 ZINC000883434334 652468910 /nfs/dbraw/zinc/46/89/10/652468910.db2.gz NNVBZPPOYHTZHG-OAHLLOKOSA-N 2 1 284.444 2.035 20 0 CEADMP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(C)cc1 ZINC000883440843 652471478 /nfs/dbraw/zinc/47/14/78/652471478.db2.gz AXANNXPSISWWAS-ZNMIVQPWSA-N 2 1 289.423 2.428 20 0 CEADMP [NH3+]CCN1CCC[C@@H](c2cc(-c3ccccc3)[nH]n2)C1 ZINC000883447650 652473446 /nfs/dbraw/zinc/47/34/46/652473446.db2.gz HUZPACIKYYRVGF-CQSZACIVSA-N 2 1 270.380 2.215 20 0 CEADMP c1ccc2c(c1)C[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCCN21 ZINC000883461882 652478081 /nfs/dbraw/zinc/47/80/81/652478081.db2.gz FSKNDEVBCIJUMA-NVXWUHKLSA-N 2 1 285.435 2.471 20 0 CEADMP C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1[nH+]cnc2[nH]ccc21 ZINC000884855768 652975040 /nfs/dbraw/zinc/97/50/40/652975040.db2.gz PZKQPNTYHXVUPP-GFCCVEGCSA-N 2 1 294.362 2.068 20 0 CEADMP Cc1cc[nH+]c(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001164766313 721277923 /nfs/dbraw/zinc/27/79/23/721277923.db2.gz CPBQHCACIXDLMY-UHFFFAOYSA-N 2 1 257.381 2.312 20 0 CEADMP Cc1cc[nH+]c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001164766313 721277929 /nfs/dbraw/zinc/27/79/29/721277929.db2.gz CPBQHCACIXDLMY-UHFFFAOYSA-N 2 1 257.381 2.312 20 0 CEADMP CN([C@@H]1CC[N@@H+](C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995861 805601795 /nfs/dbraw/zinc/60/17/95/805601795.db2.gz SVFWXLGWQLTQOZ-LVYZTWJOSA-N 2 1 277.456 2.028 20 0 CEADMP CN([C@@H]1CC[NH+](C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995861 805601800 /nfs/dbraw/zinc/60/18/00/805601800.db2.gz SVFWXLGWQLTQOZ-LVYZTWJOSA-N 2 1 277.456 2.028 20 0 CEADMP CN([C@@H]1CC[NH+](C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995861 805601805 /nfs/dbraw/zinc/60/18/05/805601805.db2.gz SVFWXLGWQLTQOZ-LVYZTWJOSA-N 2 1 277.456 2.028 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011259 805698172 /nfs/dbraw/zinc/69/81/72/805698172.db2.gz MZKZXYCDBVKDFM-MVJTYMMSSA-N 2 1 287.451 2.461 20 0 CEADMP C[N@@H+](CCC[NH2+]C[C@H]1COC(C)(C)O1)Cc1ccccc1 ZINC000715130154 814928443 /nfs/dbraw/zinc/92/84/43/814928443.db2.gz VNGJMNWYCUWANP-INIZCTEOSA-N 2 1 292.423 2.250 20 0 CEADMP CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001088380440 806168970 /nfs/dbraw/zinc/16/89/70/806168970.db2.gz ICFATVMTVWKXDK-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088413754 806194274 /nfs/dbraw/zinc/19/42/74/806194274.db2.gz NYZDYPXDPUMXGO-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H]2CN2CCCC2)CC1 ZINC001168324228 806653779 /nfs/dbraw/zinc/65/37/79/806653779.db2.gz LEXKBTKPUCUJHF-OFLPRAFFSA-N 2 1 279.472 2.419 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)C[C@@H]2CCCCO2)CC1 ZINC001168323670 806654975 /nfs/dbraw/zinc/65/49/75/806654975.db2.gz ABYVQLSOSOVNPK-NRXISQOPSA-N 2 1 254.418 2.360 20 0 CEADMP CNCC[N@@H+](C1CCC([NH+](C)C)CC1)C(C)(C)C ZINC001168329914 806659910 /nfs/dbraw/zinc/65/99/10/806659910.db2.gz KMGBHUGOZCAWMK-UHFFFAOYSA-N 2 1 255.450 2.179 20 0 CEADMP C[NH2+]CCN(C1CCC([NH+](C)C)CC1)C(C)(C)C ZINC001168329914 806659915 /nfs/dbraw/zinc/65/99/15/806659915.db2.gz KMGBHUGOZCAWMK-UHFFFAOYSA-N 2 1 255.450 2.179 20 0 CEADMP Cn1ccc2c1cc[nH+]c2-n1ccnc1[C@@H]1CCC[NH2+]C1 ZINC001167057233 802354818 /nfs/dbraw/zinc/35/48/18/802354818.db2.gz SPQJLIFMZYIWRD-GFCCVEGCSA-N 2 1 281.363 2.226 20 0 CEADMP CC[NH+]1C[C@@H]2C[NH+](C[C@H](C)C(F)(F)F)C[C@H]2C1 ZINC001208903819 802437952 /nfs/dbraw/zinc/43/79/52/802437952.db2.gz ZAXZNMXESMILNH-HBNTYKKESA-N 2 1 250.308 2.068 20 0 CEADMP CCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001266322678 802437982 /nfs/dbraw/zinc/43/79/82/802437982.db2.gz LYHJBZOMUKXRFS-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001266322678 802437987 /nfs/dbraw/zinc/43/79/87/802437987.db2.gz LYHJBZOMUKXRFS-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001266322678 802437993 /nfs/dbraw/zinc/43/79/93/802437993.db2.gz LYHJBZOMUKXRFS-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP COCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209055353 802464993 /nfs/dbraw/zinc/46/49/93/802464993.db2.gz WXOKJNCZIDIVNQ-QZTJIDSGSA-N 2 1 288.435 2.477 20 0 CEADMP COCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209055353 802464994 /nfs/dbraw/zinc/46/49/94/802464994.db2.gz WXOKJNCZIDIVNQ-QZTJIDSGSA-N 2 1 288.435 2.477 20 0 CEADMP COCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209055353 802464997 /nfs/dbraw/zinc/46/49/97/802464997.db2.gz WXOKJNCZIDIVNQ-QZTJIDSGSA-N 2 1 288.435 2.477 20 0 CEADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C[C@H]3C[C@H]3C)C2)C1 ZINC001209419231 802515578 /nfs/dbraw/zinc/51/55/78/802515578.db2.gz WFONJTUDNFJUQD-BRWVUGGUSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C[C@H]3C[C@H]3C)C2)C1 ZINC001209419231 802515584 /nfs/dbraw/zinc/51/55/84/802515584.db2.gz WFONJTUDNFJUQD-BRWVUGGUSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C[C@H]3C[C@H]3C)C2)C1 ZINC001209419231 802515588 /nfs/dbraw/zinc/51/55/88/802515588.db2.gz WFONJTUDNFJUQD-BRWVUGGUSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C[C@H]3C[C@H]3C)C2)C1 ZINC001209419231 802515593 /nfs/dbraw/zinc/51/55/93/802515593.db2.gz WFONJTUDNFJUQD-BRWVUGGUSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)(C)[NH2+]CCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000693019313 802532736 /nfs/dbraw/zinc/53/27/36/802532736.db2.gz ITTHZDAXBBROKS-CYBMUJFWSA-N 2 1 283.460 2.001 20 0 CEADMP CCCNc1cc(NC[C@@H]2CC[N@@H+](CCC)C2)ncn1 ZINC000693020792 802533603 /nfs/dbraw/zinc/53/36/03/802533603.db2.gz VUAQNFLRULBOCF-ZDUSSCGKSA-N 2 1 277.416 2.442 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC[C@@H]1[NH3+] ZINC000721420820 802589173 /nfs/dbraw/zinc/58/91/73/802589173.db2.gz BQBVHTHBPLTDIR-RHYQMDGZSA-N 2 1 280.334 2.156 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC[C@@H]1[NH3+] ZINC000721420820 802589174 /nfs/dbraw/zinc/58/91/74/802589174.db2.gz BQBVHTHBPLTDIR-RHYQMDGZSA-N 2 1 280.334 2.156 20 0 CEADMP CCCC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001167224425 802589964 /nfs/dbraw/zinc/58/99/64/802589964.db2.gz JMMLDPPFQULEAR-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP C[N@@H+](C[C@@H]1CC[C@H](C(F)(F)F)O1)C1CCC([NH3+])CC1 ZINC000721425409 802615154 /nfs/dbraw/zinc/61/51/54/802615154.db2.gz JIWKMZZWEUNHQS-MMVSWEMESA-N 2 1 280.334 2.298 20 0 CEADMP CC(C)=CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001266467997 802616379 /nfs/dbraw/zinc/61/63/79/802616379.db2.gz HSCAZERFISSVIW-MRXNPFEDSA-N 2 1 293.455 2.018 20 0 CEADMP C[N@H+]1CC[C@H](Nc2ccc([C@@H]3CCCC[NH+]3C)cn2)C1 ZINC001167275423 802622202 /nfs/dbraw/zinc/62/22/02/802622202.db2.gz PBDDRGPQKGIWAV-GJZGRUSLSA-N 2 1 274.412 2.354 20 0 CEADMP C[NH+]1CC[C@H](Nc2ccc([C@@H]3CCCC[N@@H+]3C)cn2)C1 ZINC001167275423 802622206 /nfs/dbraw/zinc/62/22/06/802622206.db2.gz PBDDRGPQKGIWAV-GJZGRUSLSA-N 2 1 274.412 2.354 20 0 CEADMP C[NH+]1CC[C@H](Nc2ccc([C@@H]3CCCC[N@H+]3C)cn2)C1 ZINC001167275423 802622209 /nfs/dbraw/zinc/62/22/09/802622209.db2.gz PBDDRGPQKGIWAV-GJZGRUSLSA-N 2 1 274.412 2.354 20 0 CEADMP CCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001266488535 802627475 /nfs/dbraw/zinc/62/74/75/802627475.db2.gz KZIBRNMPINBXGF-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP C[N@@H+](C[C@H]1CC[C@H](C(F)(F)F)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000721446680 802782185 /nfs/dbraw/zinc/78/21/85/802782185.db2.gz GESXQDUOMHMCHN-NRUFJFEESA-N 2 1 292.345 2.311 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000723616839 802905220 /nfs/dbraw/zinc/90/52/20/802905220.db2.gz XELULQHXJCFQJW-BZUAXINKSA-N 2 1 264.413 2.043 20 0 CEADMP Cc1cc(C)nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000723845245 802947328 /nfs/dbraw/zinc/94/73/28/802947328.db2.gz GNTZCJWYIBRABV-BPUTZDHNSA-N 2 1 259.397 2.258 20 0 CEADMP CCCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001266870953 802962903 /nfs/dbraw/zinc/96/29/03/802962903.db2.gz QZHOBEAUDFPLAD-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266894010 802974396 /nfs/dbraw/zinc/97/43/96/802974396.db2.gz FWZDXJTVFFTFGM-JKSUJKDBSA-N 2 1 297.487 2.345 20 0 CEADMP CO[C@@H]1CC[C@H]1[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000724221674 803063929 /nfs/dbraw/zinc/06/39/29/803063929.db2.gz XLRGPFNKDSHWKX-ARQSVGKCSA-N 2 1 252.402 2.016 20 0 CEADMP C[N@H+]1CCCC[C@H]1c1ccc(-n2cccc2C[NH3+])nc1 ZINC001167589518 803168266 /nfs/dbraw/zinc/16/82/66/803168266.db2.gz IITZCBUZVPSGPK-HNNXBMFYSA-N 2 1 270.380 2.488 20 0 CEADMP C[N@H+](C[C@@H]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC001207350747 803240112 /nfs/dbraw/zinc/24/01/12/803240112.db2.gz SFDPRONXOMBTEO-CYBMUJFWSA-N 2 1 254.418 2.218 20 0 CEADMP C[N@@H+](C[C@@H]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC001207350747 803240116 /nfs/dbraw/zinc/24/01/16/803240116.db2.gz SFDPRONXOMBTEO-CYBMUJFWSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405325947 803367568 /nfs/dbraw/zinc/36/75/68/803367568.db2.gz XEOSTLFLQIKVPR-ZNMIVQPWSA-N 2 1 267.461 2.356 20 0 CEADMP C[N@H+](CCSc1ccccc1)C1(C[NH3+])CCOCC1 ZINC000725047915 803411719 /nfs/dbraw/zinc/41/17/19/803411719.db2.gz MJWOHIXUOWLCPR-UHFFFAOYSA-N 2 1 280.437 2.218 20 0 CEADMP C[N@@H+](CCSc1ccccc1)C1(C[NH3+])CCOCC1 ZINC000725047915 803411722 /nfs/dbraw/zinc/41/17/22/803411722.db2.gz MJWOHIXUOWLCPR-UHFFFAOYSA-N 2 1 280.437 2.218 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CCO)C1CCCC1 ZINC000725095389 803426479 /nfs/dbraw/zinc/42/64/79/803426479.db2.gz LOLRIRCZDXXOKY-LSDHHAIUSA-N 2 1 254.418 2.002 20 0 CEADMP CC/C=C\CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001267590542 803576583 /nfs/dbraw/zinc/57/65/83/803576583.db2.gz WPZIMCLRJISZSD-MWWKQMNYSA-N 2 1 295.471 2.075 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000715394660 814953285 /nfs/dbraw/zinc/95/32/85/814953285.db2.gz OWTUDBOQOSKVKZ-ZIAGYGMSSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000715394660 814953290 /nfs/dbraw/zinc/95/32/90/814953290.db2.gz OWTUDBOQOSKVKZ-ZIAGYGMSSA-N 2 1 252.402 2.018 20 0 CEADMP CCCC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001104874020 803711609 /nfs/dbraw/zinc/71/16/09/803711609.db2.gz KWZCCXAVGCKKKE-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)CC[C@@H]1[NH3+] ZINC000715483537 814960075 /nfs/dbraw/zinc/96/00/75/814960075.db2.gz RGJAVTGAQRHPKY-UNQGMJICSA-N 2 1 252.402 2.003 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000396696418 803750856 /nfs/dbraw/zinc/75/08/56/803750856.db2.gz JPGZBAPSVGCRNG-HIFRSBDPSA-N 2 1 254.418 2.456 20 0 CEADMP CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001267831198 803761732 /nfs/dbraw/zinc/76/17/32/803761732.db2.gz MXRTUIOEBPJUNJ-GJZGRUSLSA-N 2 1 283.460 2.145 20 0 CEADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccns1 ZINC000715934359 815009488 /nfs/dbraw/zinc/00/94/88/815009488.db2.gz WLGQKWIOJXXITA-SNVBAGLBSA-N 2 1 250.371 2.160 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)CCN1CCOCC1 ZINC001167838411 804431300 /nfs/dbraw/zinc/43/13/00/804431300.db2.gz UFVHDGJGMCJACA-KRWDZBQOSA-N 2 1 299.503 2.151 20 0 CEADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001268229569 804557475 /nfs/dbraw/zinc/55/74/75/804557475.db2.gz UXQYMHCJLMOJEG-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCC/C=C\CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001268256516 804579093 /nfs/dbraw/zinc/57/90/93/804579093.db2.gz IFQOPBNGHRHGRW-PTZVLDCSSA-N 2 1 295.471 2.075 20 0 CEADMP CCC/C=C\CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268256516 804579097 /nfs/dbraw/zinc/57/90/97/804579097.db2.gz IFQOPBNGHRHGRW-PTZVLDCSSA-N 2 1 295.471 2.075 20 0 CEADMP CCC/C=C\CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268256516 804579102 /nfs/dbraw/zinc/57/91/02/804579102.db2.gz IFQOPBNGHRHGRW-PTZVLDCSSA-N 2 1 295.471 2.075 20 0 CEADMP CCN(CC[NH2+]CCC(C)(C)C)C(=O)Cn1c[nH+]cc1C ZINC001268465843 804710109 /nfs/dbraw/zinc/71/01/09/804710109.db2.gz UHNVNAYXLSBGTK-UHFFFAOYSA-N 2 1 294.443 2.066 20 0 CEADMP C[NH+](C)Cc1ncccc1O[C@@H]1CCC[N@H+](C)CC1 ZINC001225280918 804844408 /nfs/dbraw/zinc/84/44/08/804844408.db2.gz PLBCEQMGKJVOOD-CYBMUJFWSA-N 2 1 263.385 2.006 20 0 CEADMP C[NH+](C)Cc1ncccc1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001225280918 804844414 /nfs/dbraw/zinc/84/44/14/804844414.db2.gz PLBCEQMGKJVOOD-CYBMUJFWSA-N 2 1 263.385 2.006 20 0 CEADMP CC(C)[N@@H+](C)Cc1nn([C@H]2C[C@H]3C[C@H]3C2)c2c1CC[NH2+]C2 ZINC001167928894 804852396 /nfs/dbraw/zinc/85/23/96/804852396.db2.gz UVSJDZHJTQUMBK-WDNDVIMCSA-N 2 1 288.439 2.340 20 0 CEADMP CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268664520 804916717 /nfs/dbraw/zinc/91/67/17/804916717.db2.gz LJSIKXVETJHIBU-HUUCEWRRSA-N 2 1 283.460 2.144 20 0 CEADMP CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268664519 804917135 /nfs/dbraw/zinc/91/71/35/804917135.db2.gz LJSIKXVETJHIBU-CABCVRRESA-N 2 1 283.460 2.144 20 0 CEADMP CCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CCC ZINC001268984059 805017548 /nfs/dbraw/zinc/01/75/48/805017548.db2.gz QFNRQGRMLYPVES-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CCC ZINC001268984059 805017558 /nfs/dbraw/zinc/01/75/58/805017558.db2.gz QFNRQGRMLYPVES-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CCC ZINC001268984059 805017569 /nfs/dbraw/zinc/01/75/69/805017569.db2.gz QFNRQGRMLYPVES-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000165317787 807053027 /nfs/dbraw/zinc/05/30/27/807053027.db2.gz HWXXEWBNFPHRLG-CABCVRRESA-N 2 1 292.423 2.381 20 0 CEADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCCOC1)C2 ZINC001167963692 805440517 /nfs/dbraw/zinc/44/05/17/805440517.db2.gz BEEIAVRNPSOYIZ-WZYMTQMTSA-N 2 1 264.413 2.160 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167964350 805446975 /nfs/dbraw/zinc/44/69/75/805446975.db2.gz PIQZKNNJHFIWAK-HQSKLWIPSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964350 805446977 /nfs/dbraw/zinc/44/69/77/805446977.db2.gz PIQZKNNJHFIWAK-HQSKLWIPSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964350 805446983 /nfs/dbraw/zinc/44/69/83/805446983.db2.gz PIQZKNNJHFIWAK-HQSKLWIPSA-N 2 1 291.483 2.466 20 0 CEADMP CN1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964350 805446989 /nfs/dbraw/zinc/44/69/89/805446989.db2.gz PIQZKNNJHFIWAK-HQSKLWIPSA-N 2 1 291.483 2.466 20 0 CEADMP CN1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964350 805446992 /nfs/dbraw/zinc/44/69/92/805446992.db2.gz PIQZKNNJHFIWAK-HQSKLWIPSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@H+]1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167964348 805447055 /nfs/dbraw/zinc/44/70/55/805447055.db2.gz PIQZKNNJHFIWAK-FBVQUNGASA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964348 805447058 /nfs/dbraw/zinc/44/70/58/805447058.db2.gz PIQZKNNJHFIWAK-FBVQUNGASA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964348 805447062 /nfs/dbraw/zinc/44/70/62/805447062.db2.gz PIQZKNNJHFIWAK-FBVQUNGASA-N 2 1 291.483 2.466 20 0 CEADMP CN1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964348 805447067 /nfs/dbraw/zinc/44/70/67/805447067.db2.gz PIQZKNNJHFIWAK-FBVQUNGASA-N 2 1 291.483 2.466 20 0 CEADMP CN1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964348 805447072 /nfs/dbraw/zinc/44/70/72/805447072.db2.gz PIQZKNNJHFIWAK-FBVQUNGASA-N 2 1 291.483 2.466 20 0 CEADMP CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)COC1 ZINC001167965493 805464844 /nfs/dbraw/zinc/46/48/44/805464844.db2.gz HTAPCRYJIZQVGJ-MQVJKMGUSA-N 2 1 278.440 2.408 20 0 CEADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110157108 815104020 /nfs/dbraw/zinc/10/40/20/815104020.db2.gz JVMYJLYQPZYOKL-PMPSAXMXSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110157108 815104026 /nfs/dbraw/zinc/10/40/26/815104026.db2.gz JVMYJLYQPZYOKL-PMPSAXMXSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110157108 815104030 /nfs/dbraw/zinc/10/40/30/815104030.db2.gz JVMYJLYQPZYOKL-PMPSAXMXSA-N 2 1 295.471 2.094 20 0 CEADMP COc1cccc(C[N@@H+](C)CC2CC[NH2+]CC2)c1OC ZINC000094010722 807267402 /nfs/dbraw/zinc/26/74/02/807267402.db2.gz YYWMQPUPUTUHLX-UHFFFAOYSA-N 2 1 278.396 2.135 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001088899241 807268466 /nfs/dbraw/zinc/26/84/66/807268466.db2.gz UEYUNFQYBSNYMR-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089177373 807398636 /nfs/dbraw/zinc/39/86/36/807398636.db2.gz PTTUWNNSQIXZJO-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089177373 807398642 /nfs/dbraw/zinc/39/86/42/807398642.db2.gz PTTUWNNSQIXZJO-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001089177373 807398645 /nfs/dbraw/zinc/39/86/45/807398645.db2.gz PTTUWNNSQIXZJO-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001089227012 807442513 /nfs/dbraw/zinc/44/25/13/807442513.db2.gz OJONGAZIJMJCTE-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001089227012 807442517 /nfs/dbraw/zinc/44/25/17/807442517.db2.gz OJONGAZIJMJCTE-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001089227012 807442522 /nfs/dbraw/zinc/44/25/22/807442522.db2.gz OJONGAZIJMJCTE-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(C)(C)O)CC1 ZINC000716366450 815119842 /nfs/dbraw/zinc/11/98/42/815119842.db2.gz KNQRENUODDVPSQ-HNNXBMFYSA-N 2 1 268.445 2.344 20 0 CEADMP COC[C@H](C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)C(C)C ZINC000721970587 807540487 /nfs/dbraw/zinc/54/04/87/807540487.db2.gz BJHSHWNKRDGYJH-KBXIAJHMSA-N 2 1 256.434 2.210 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)[C@@H]1CCCC[NH2+]1 ZINC000716596103 815129361 /nfs/dbraw/zinc/12/93/61/815129361.db2.gz XJEYDJXPQFPKCJ-KKUMJFAQSA-N 2 1 266.429 2.456 20 0 CEADMP COc1ccc(CC[N@H+]2CCC[C@@H]([NH3+])CC2)cc1OC ZINC001205095543 807596383 /nfs/dbraw/zinc/59/63/83/807596383.db2.gz YMEVJVRXCNRGIN-CQSZACIVSA-N 2 1 278.396 2.060 20 0 CEADMP CC(C)O[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699232012 807657390 /nfs/dbraw/zinc/65/73/90/807657390.db2.gz GZIMDHHMRIDHBC-WTXIUTQJSA-N 2 1 266.429 2.406 20 0 CEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001205117515 807706135 /nfs/dbraw/zinc/70/61/35/807706135.db2.gz PXMZCGDEZCOLKY-CYBMUJFWSA-N 2 1 271.364 2.254 20 0 CEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3c(c2)NCCC3)CC1 ZINC001205124651 807725067 /nfs/dbraw/zinc/72/50/67/807725067.db2.gz XFBQNDZMILAQTL-OAHLLOKOSA-N 2 1 259.397 2.358 20 0 CEADMP CN(C)c1ccc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC001119631066 815142751 /nfs/dbraw/zinc/14/27/51/815142751.db2.gz NAEBSEXXFABSQX-HNNXBMFYSA-N 2 1 261.413 2.025 20 0 CEADMP CCOC(=O)CCCCCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205130551 807734491 /nfs/dbraw/zinc/73/44/91/807734491.db2.gz HUVZVRWPDRYURW-UONOGXRCSA-N 2 1 270.417 2.027 20 0 CEADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC(C)C)C1 ZINC001031237116 807827842 /nfs/dbraw/zinc/82/78/42/807827842.db2.gz SHQXEUKBPFMXNH-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC(C)C)C1 ZINC001031237116 807827850 /nfs/dbraw/zinc/82/78/50/807827850.db2.gz SHQXEUKBPFMXNH-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(N3CCCC3)c2)C[C@H]1C[NH3+] ZINC001205151151 807828325 /nfs/dbraw/zinc/82/83/25/807828325.db2.gz QLBFRABOXQAYIO-GOEBONIOSA-N 2 1 273.424 2.313 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171465386 815173008 /nfs/dbraw/zinc/17/30/08/815173008.db2.gz ICRCZPWBDUCKGS-MFKMUULPSA-N 2 1 268.351 2.349 20 0 CEADMP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120129854 815199610 /nfs/dbraw/zinc/19/96/10/815199610.db2.gz PJABPEUSASNNKB-OAHLLOKOSA-N 2 1 295.471 2.003 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](O)CC2)CC1(C)C ZINC001171631511 815201720 /nfs/dbraw/zinc/20/17/20/815201720.db2.gz KIEFAKKTAGUBQT-CQSZACIVSA-N 2 1 268.445 2.485 20 0 CEADMP C[NH+]1C(C)(C)CC([NH2+]CC(=O)NC2CCCC2)CC1(C)C ZINC001171620215 815205543 /nfs/dbraw/zinc/20/55/43/815205543.db2.gz ZJQMPLVQDUOMIQ-UHFFFAOYSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@H]1C[C@H](n2nccc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171727011 815217741 /nfs/dbraw/zinc/21/77/41/815217741.db2.gz NPGYZNLNTRNXRW-BBRMVZONSA-N 2 1 270.380 2.177 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc3occc3c2)CC1 ZINC001205220923 808624708 /nfs/dbraw/zinc/62/47/08/808624708.db2.gz NTVAXPUHMPXKSF-INIZCTEOSA-N 2 1 274.364 2.109 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[NH+]3CCC[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171754462 815225449 /nfs/dbraw/zinc/22/54/49/815225449.db2.gz DVWCWUBULWFRRO-NZSAHSFTSA-N 2 1 299.462 2.429 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[N@@H+]3CCC[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171754462 815225452 /nfs/dbraw/zinc/22/54/52/815225452.db2.gz DVWCWUBULWFRRO-NZSAHSFTSA-N 2 1 299.462 2.429 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[N@H+]3CCC[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171754462 815225455 /nfs/dbraw/zinc/22/54/55/815225455.db2.gz DVWCWUBULWFRRO-NZSAHSFTSA-N 2 1 299.462 2.429 20 0 CEADMP C[C@@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC001171760770 815226695 /nfs/dbraw/zinc/22/66/95/815226695.db2.gz ZYWYHHRUEHTLSB-OQIJWPOYSA-N 2 1 299.462 2.428 20 0 CEADMP C[C@@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171760770 815226699 /nfs/dbraw/zinc/22/66/99/815226699.db2.gz ZYWYHHRUEHTLSB-OQIJWPOYSA-N 2 1 299.462 2.428 20 0 CEADMP C[C@@H]1C[C@@H](N2CC([NH+]3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171763783 815228717 /nfs/dbraw/zinc/22/87/17/815228717.db2.gz QUPXIUSQCZTWDY-SJLPKXTDSA-N 2 1 299.462 2.429 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)c2ncc[nH]2)C1 ZINC000353619821 808833505 /nfs/dbraw/zinc/83/35/05/808833505.db2.gz IXDSHJPMNXYAAD-UONOGXRCSA-N 2 1 264.417 2.428 20 0 CEADMP CC(C)(C)OC(=O)C1CCC([N@@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC001171910431 815249779 /nfs/dbraw/zinc/24/97/79/815249779.db2.gz OWZWGCCABJLJLR-ROKHWSDSSA-N 2 1 282.428 2.310 20 0 CEADMP CC(C)(C)OC(=O)C1CCC([N@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC001171910431 815249786 /nfs/dbraw/zinc/24/97/86/815249786.db2.gz OWZWGCCABJLJLR-ROKHWSDSSA-N 2 1 282.428 2.310 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2cccc(C(F)(F)F)n2)CC1 ZINC001205047150 809074976 /nfs/dbraw/zinc/07/49/76/809074976.db2.gz PQKWDLJQDCZDPP-UHFFFAOYSA-N 2 1 273.302 2.271 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033071205 809167875 /nfs/dbraw/zinc/16/78/75/809167875.db2.gz WYOZDRCCVNUQCO-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033071205 809167878 /nfs/dbraw/zinc/16/78/78/809167878.db2.gz WYOZDRCCVNUQCO-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033071205 809167881 /nfs/dbraw/zinc/16/78/81/809167881.db2.gz WYOZDRCCVNUQCO-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(OC)c3)C[C@@H]2C1 ZINC001143163944 809204401 /nfs/dbraw/zinc/20/44/01/809204401.db2.gz PQJZCABASBENBM-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)cc(OC)c3)C[C@@H]2C1 ZINC001143163944 809204404 /nfs/dbraw/zinc/20/44/04/809204404.db2.gz PQJZCABASBENBM-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)cc(OC)c3)C[C@@H]2C1 ZINC001143163944 809204408 /nfs/dbraw/zinc/20/44/08/809204408.db2.gz PQJZCABASBENBM-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)cc(OC)c3)C[C@@H]2C1 ZINC001143163944 809204412 /nfs/dbraw/zinc/20/44/12/809204412.db2.gz PQJZCABASBENBM-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cncc(Br)c2)C1 ZINC000700638751 809335260 /nfs/dbraw/zinc/33/52/60/809335260.db2.gz DCUWXHQDZKTLDE-JTQLQIEISA-N 2 1 284.201 2.015 20 0 CEADMP CCCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033418640 809294634 /nfs/dbraw/zinc/29/46/34/809294634.db2.gz BPHQHUTVJUPVCC-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033418640 809294639 /nfs/dbraw/zinc/29/46/39/809294639.db2.gz BPHQHUTVJUPVCC-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033418640 809294643 /nfs/dbraw/zinc/29/46/43/809294643.db2.gz BPHQHUTVJUPVCC-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1CCOCC1)C2 ZINC001172101219 815281498 /nfs/dbraw/zinc/28/14/98/815281498.db2.gz XCOHZNJRCXHJNG-QDMKHBRRSA-N 2 1 252.402 2.018 20 0 CEADMP CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033467346 809312359 /nfs/dbraw/zinc/31/23/59/809312359.db2.gz NICVKADUPHGOBL-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCc1noc(C)c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000700778995 809346984 /nfs/dbraw/zinc/34/69/84/809346984.db2.gz IGDGLZDXCRETCG-UHFFFAOYSA-N 2 1 251.374 2.247 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cnccc2C(F)(F)F)C12CCC2 ZINC000700806729 809355437 /nfs/dbraw/zinc/35/54/37/809355437.db2.gz CZXQCHKYJJNOPR-NEPJUHHUSA-N 2 1 285.313 2.460 20 0 CEADMP Cc1cccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172100359 815284833 /nfs/dbraw/zinc/28/48/33/815284833.db2.gz PFHVCYXJBZXPJR-MUJYYYPQSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1cccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001172100359 815284835 /nfs/dbraw/zinc/28/48/35/815284835.db2.gz PFHVCYXJBZXPJR-MUJYYYPQSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1cccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172100359 815284837 /nfs/dbraw/zinc/28/48/37/815284837.db2.gz PFHVCYXJBZXPJR-MUJYYYPQSA-N 2 1 259.397 2.495 20 0 CEADMP CC(C)[N@H+](CCCO)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172126276 815286221 /nfs/dbraw/zinc/28/62/21/815286221.db2.gz VVCKLEINTAPDIB-QDMKHBRRSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[N@@H+](CCCO)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172126276 815286224 /nfs/dbraw/zinc/28/62/24/815286224.db2.gz VVCKLEINTAPDIB-QDMKHBRRSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[NH+](CCCO)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172126276 815286226 /nfs/dbraw/zinc/28/62/26/815286226.db2.gz VVCKLEINTAPDIB-QDMKHBRRSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[NH+](CCCO)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172126276 815286228 /nfs/dbraw/zinc/28/62/28/815286228.db2.gz VVCKLEINTAPDIB-QDMKHBRRSA-N 2 1 254.418 2.095 20 0 CEADMP C[N@@H+](C1CC1)[C@@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172126999 815287472 /nfs/dbraw/zinc/28/74/72/815287472.db2.gz FPMHQDUOIMNFEX-YYIAUSFCSA-N 2 1 277.456 2.170 20 0 CEADMP C[NH+](C1CC1)[C@@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172126999 815287476 /nfs/dbraw/zinc/28/74/76/815287476.db2.gz FPMHQDUOIMNFEX-YYIAUSFCSA-N 2 1 277.456 2.170 20 0 CEADMP C[NH+](C1CC1)[C@@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172126999 815287479 /nfs/dbraw/zinc/28/74/79/815287479.db2.gz FPMHQDUOIMNFEX-YYIAUSFCSA-N 2 1 277.456 2.170 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001033826176 809425535 /nfs/dbraw/zinc/42/55/35/809425535.db2.gz MNKLNVRJGSJGSW-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](C(C)C)C1 ZINC001033826176 809425537 /nfs/dbraw/zinc/42/55/37/809425537.db2.gz MNKLNVRJGSJGSW-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](C(C)C)C1 ZINC001033826176 809425543 /nfs/dbraw/zinc/42/55/43/809425543.db2.gz MNKLNVRJGSJGSW-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP COC(=O)c1cccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC001117868474 809481819 /nfs/dbraw/zinc/48/18/19/809481819.db2.gz NBWTYXWATDBGDP-CQSZACIVSA-N 2 1 290.407 2.295 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC001172105056 815296334 /nfs/dbraw/zinc/29/63/34/815296334.db2.gz FRTJRAYXOXDMSX-PHZGNYQRSA-N 2 1 289.423 2.238 20 0 CEADMP CC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034248611 809559658 /nfs/dbraw/zinc/55/96/58/809559658.db2.gz DWUQJDQRICKBOB-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034248611 809559661 /nfs/dbraw/zinc/55/96/61/809559661.db2.gz DWUQJDQRICKBOB-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034248611 809559665 /nfs/dbraw/zinc/55/96/65/809559665.db2.gz DWUQJDQRICKBOB-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034248614 809559747 /nfs/dbraw/zinc/55/97/47/809559747.db2.gz DWUQJDQRICKBOB-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034248614 809559752 /nfs/dbraw/zinc/55/97/52/809559752.db2.gz DWUQJDQRICKBOB-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034248614 809559756 /nfs/dbraw/zinc/55/97/56/809559756.db2.gz DWUQJDQRICKBOB-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1COc3cnccc31)C2 ZINC001172108535 815299012 /nfs/dbraw/zinc/29/90/12/815299012.db2.gz BBDAZJHSTCHKJO-ZQDZILKHSA-N 2 1 287.407 2.163 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC)C2)C1 ZINC001034367761 809587404 /nfs/dbraw/zinc/58/74/04/809587404.db2.gz HQVDWHCIJNSQFP-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC)C2)C1 ZINC001034367761 809587410 /nfs/dbraw/zinc/58/74/10/809587410.db2.gz HQVDWHCIJNSQFP-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC)C2)C1 ZINC001034367761 809587416 /nfs/dbraw/zinc/58/74/16/809587416.db2.gz HQVDWHCIJNSQFP-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172112036 815301504 /nfs/dbraw/zinc/30/15/04/815301504.db2.gz ZOANUUYWGXIFET-JKJDWNRSSA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172112036 815301508 /nfs/dbraw/zinc/30/15/08/815301508.db2.gz ZOANUUYWGXIFET-JKJDWNRSSA-N 2 1 294.439 2.323 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034486660 809619313 /nfs/dbraw/zinc/61/93/13/809619313.db2.gz CENCCROLYAKRCA-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034486660 809619317 /nfs/dbraw/zinc/61/93/17/809619317.db2.gz CENCCROLYAKRCA-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034486660 809619323 /nfs/dbraw/zinc/61/93/23/809619323.db2.gz CENCCROLYAKRCA-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034538539 809628441 /nfs/dbraw/zinc/62/84/41/809628441.db2.gz OVPYYLBQSPWVSP-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](C(C)C)C1 ZINC001034538539 809628443 /nfs/dbraw/zinc/62/84/43/809628443.db2.gz OVPYYLBQSPWVSP-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C(C)C)CC1 ZINC001034659630 809654899 /nfs/dbraw/zinc/65/48/99/809654899.db2.gz VPEUUELEAQLFEG-JYJNAYRXSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCSc1ccccc1)C2 ZINC000703539154 809660052 /nfs/dbraw/zinc/66/00/52/809660052.db2.gz ZIRNJQSPLHJDEI-DZGCQCFKSA-N 2 1 262.422 2.320 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCSc1ccccc1)C2 ZINC000703539154 809660057 /nfs/dbraw/zinc/66/00/57/809660057.db2.gz ZIRNJQSPLHJDEI-DZGCQCFKSA-N 2 1 262.422 2.320 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]C(C)C ZINC001034980386 809728133 /nfs/dbraw/zinc/72/81/33/809728133.db2.gz UFEHGRVHXRZYEY-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@]1(C)O ZINC001172121868 815313090 /nfs/dbraw/zinc/31/30/90/815313090.db2.gz UONMVSJKLLOUDN-NRKLIOEPSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@]1(C)O ZINC001172121868 815313097 /nfs/dbraw/zinc/31/30/97/815313097.db2.gz UONMVSJKLLOUDN-NRKLIOEPSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC[C@]1(C)O ZINC001172121868 815313101 /nfs/dbraw/zinc/31/31/01/815313101.db2.gz UONMVSJKLLOUDN-NRKLIOEPSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC[C@]1(C)O ZINC001172121868 815313108 /nfs/dbraw/zinc/31/31/08/815313108.db2.gz UONMVSJKLLOUDN-NRKLIOEPSA-N 2 1 280.456 2.485 20 0 CEADMP C[NH+]1C[C@]2(C)C[NH+](C[C@@H](O)CC3CCCC3)C[C@@]2(C)C1 ZINC000705682191 809785992 /nfs/dbraw/zinc/78/59/92/809785992.db2.gz VCFKLRWOZONYET-GVDBMIGSSA-N 2 1 280.456 2.201 20 0 CEADMP C[N@@H+]1C[C@]2(C)C[NH+](Cc3cccc(N)c3)C[C@]2(C)C1 ZINC000707051020 809872834 /nfs/dbraw/zinc/87/28/34/809872834.db2.gz BMLNXLCHEWYCHN-IYBDPMFKSA-N 2 1 259.397 2.042 20 0 CEADMP C[N@H+]1C[C@]2(C)C[NH+](Cc3cccc(N)c3)C[C@]2(C)C1 ZINC000707051020 809872840 /nfs/dbraw/zinc/87/28/40/809872840.db2.gz BMLNXLCHEWYCHN-IYBDPMFKSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1C[C@]2(C)C[N@H+](Cc3cccc(N)c3)C[C@]2(C)C1 ZINC000707051020 809872843 /nfs/dbraw/zinc/87/28/43/809872843.db2.gz BMLNXLCHEWYCHN-IYBDPMFKSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1C[C@]2(C)C[N@@H+](Cc3cccc(N)c3)C[C@]2(C)C1 ZINC000707051020 809872852 /nfs/dbraw/zinc/87/28/52/809872852.db2.gz BMLNXLCHEWYCHN-IYBDPMFKSA-N 2 1 259.397 2.042 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)C[C@H]1C[NH3+] ZINC000708859267 809937458 /nfs/dbraw/zinc/93/74/58/809937458.db2.gz VUFCETODWSZVDB-OPRDCNLKSA-N 2 1 251.201 2.097 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)CC[C@@H]1[NH3+] ZINC000709688591 809952428 /nfs/dbraw/zinc/95/24/28/809952428.db2.gz SQGFFECVNXIBQM-UPJWGTAASA-N 2 1 254.418 2.249 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)C(C)(C)O1 ZINC000709702293 809954030 /nfs/dbraw/zinc/95/40/30/809954030.db2.gz MISRPEZNSDAHIT-OLZOCXBDSA-N 2 1 254.418 2.251 20 0 CEADMP CC1CCC(NC(=O)C[N@@H+](C)CCCCCC[NH3+])CC1 ZINC000710696157 809990784 /nfs/dbraw/zinc/99/07/84/809990784.db2.gz WANPAHCBNZBYTK-UHFFFAOYSA-N 2 1 283.460 2.132 20 0 CEADMP C[NH+]1CCC2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)O4)C2)CC1 ZINC001172230752 815343928 /nfs/dbraw/zinc/34/39/28/815343928.db2.gz HTFOEYAKNFDBTF-GOOCMWNKSA-N 2 1 264.413 2.114 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923359795 810088979 /nfs/dbraw/zinc/08/89/79/810088979.db2.gz VHFXLOMKDRVJPU-ZACQAIPSSA-N 2 1 282.472 2.495 20 0 CEADMP C(C[NH2+]C1CC1)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000923371907 810089002 /nfs/dbraw/zinc/08/90/02/810089002.db2.gz BARVLBUEWYKEBA-PBHICJAKSA-N 2 1 277.456 2.077 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923359793 810089644 /nfs/dbraw/zinc/08/96/44/810089644.db2.gz VHFXLOMKDRVJPU-IKGGRYGDSA-N 2 1 282.472 2.495 20 0 CEADMP C[C@H]1c2sccc2CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000711815953 810098076 /nfs/dbraw/zinc/09/80/76/810098076.db2.gz JGZJDXVSZADSBA-AAEUAGOBSA-N 2 1 278.421 2.188 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC[N@@H+]1C ZINC000711848848 810099978 /nfs/dbraw/zinc/09/99/78/810099978.db2.gz WJBYJLYQZFZEAD-SLBVQIDZSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC[N@H+]1C ZINC000711848848 810099980 /nfs/dbraw/zinc/09/99/80/810099980.db2.gz WJBYJLYQZFZEAD-SLBVQIDZSA-N 2 1 266.429 2.264 20 0 CEADMP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514335 810105804 /nfs/dbraw/zinc/10/58/04/810105804.db2.gz JQQCAAZPSRTYAH-UMVBOHGHSA-N 2 1 289.423 2.103 20 0 CEADMP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514335 810105805 /nfs/dbraw/zinc/10/58/05/810105805.db2.gz JQQCAAZPSRTYAH-UMVBOHGHSA-N 2 1 289.423 2.103 20 0 CEADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1COC(C)(C)C1 ZINC001172280045 815349860 /nfs/dbraw/zinc/34/98/60/815349860.db2.gz RSHHAAXYLSSUBT-ZDUSSCGKSA-N 3 1 285.476 2.029 20 0 CEADMP CSCCCNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001163874610 810213761 /nfs/dbraw/zinc/21/37/61/810213761.db2.gz HIZPIZLVKUTUQQ-UHFFFAOYSA-N 2 1 276.409 2.186 20 0 CEADMP CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080255338 810263798 /nfs/dbraw/zinc/26/37/98/810263798.db2.gz XHAGGCPLBYFEBD-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001172252593 815358546 /nfs/dbraw/zinc/35/85/46/815358546.db2.gz QLWCFGJPUBVQEA-OCCSQVGLSA-N 2 1 288.382 2.074 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001172252593 815358552 /nfs/dbraw/zinc/35/85/52/815358552.db2.gz QLWCFGJPUBVQEA-OCCSQVGLSA-N 2 1 288.382 2.074 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CC[C@]3(C2)CCCCO3)CC1 ZINC001172252192 815358581 /nfs/dbraw/zinc/35/85/81/815358581.db2.gz IHVHHZWWBKLBSY-KRWDZBQOSA-N 2 1 296.455 2.132 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CC[C@]3(C2)CCCCO3)CC1 ZINC001172252192 815358588 /nfs/dbraw/zinc/35/85/88/815358588.db2.gz IHVHHZWWBKLBSY-KRWDZBQOSA-N 2 1 296.455 2.132 20 0 CEADMP COCCCN1CCC([N@@H+](C)C[C@@H]2CC2(C)C)CC1 ZINC001172253130 815360529 /nfs/dbraw/zinc/36/05/29/815360529.db2.gz CXSQIPXOMFDRKN-AWEZNQCLSA-N 2 1 268.445 2.465 20 0 CEADMP COCCC[NH+]1CCC([N@H+](C)C[C@@H]2CC2(C)C)CC1 ZINC001172253130 815360536 /nfs/dbraw/zinc/36/05/36/815360536.db2.gz CXSQIPXOMFDRKN-AWEZNQCLSA-N 2 1 268.445 2.465 20 0 CEADMP COCCC[NH+]1CCC([N@@H+](C)C[C@@H]2CC2(C)C)CC1 ZINC001172253130 815360543 /nfs/dbraw/zinc/36/05/43/815360543.db2.gz CXSQIPXOMFDRKN-AWEZNQCLSA-N 2 1 268.445 2.465 20 0 CEADMP CC1(C)C[C@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)CO1 ZINC001172287681 815378823 /nfs/dbraw/zinc/37/88/23/815378823.db2.gz AWRNOJIAZFCGEF-HNNXBMFYSA-N 2 1 284.419 2.452 20 0 CEADMP CC[NH+](CC)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC001172286632 815379169 /nfs/dbraw/zinc/37/91/69/815379169.db2.gz JLXUMRNZPLTLOX-AWEZNQCLSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001258907325 810679480 /nfs/dbraw/zinc/67/94/80/810679480.db2.gz ISFWRCXFTDUSKZ-ZNMIVQPWSA-N 2 1 274.424 2.292 20 0 CEADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC3CCC3)CC2)C1 ZINC001202792695 810685146 /nfs/dbraw/zinc/68/51/46/810685146.db2.gz PFSBKGDTXQAPRW-OAHLLOKOSA-N 2 1 294.439 2.136 20 0 CEADMP CC[C@@H](C)OCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172333980 815393064 /nfs/dbraw/zinc/39/30/64/815393064.db2.gz YWLZAVHJAJXURX-JJXSEGSLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H](C)OCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001172333980 815393072 /nfs/dbraw/zinc/39/30/72/815393072.db2.gz YWLZAVHJAJXURX-JJXSEGSLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H](C)OCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001172333980 815393075 /nfs/dbraw/zinc/39/30/75/815393075.db2.gz YWLZAVHJAJXURX-JJXSEGSLSA-N 2 1 268.445 2.464 20 0 CEADMP COc1ccc(C)[nH+]c1NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001155026855 810929408 /nfs/dbraw/zinc/92/94/08/810929408.db2.gz VXYNYENNEIARAQ-WCQYABFASA-N 2 1 263.385 2.446 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC[N@@H+]1C ZINC000723611902 811025756 /nfs/dbraw/zinc/02/57/56/811025756.db2.gz ZEAWRHDTPRVBTI-LYYZXLFJSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC[N@H+]1C ZINC000723611902 811025762 /nfs/dbraw/zinc/02/57/62/811025762.db2.gz ZEAWRHDTPRVBTI-LYYZXLFJSA-N 2 1 266.429 2.264 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC)C1 ZINC001086250617 811075172 /nfs/dbraw/zinc/07/51/72/811075172.db2.gz FFIQGACTILBGCS-XHSDSOJGSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c(F)cncc2F)CCC[C@H]1C[NH3+] ZINC001205992012 811235805 /nfs/dbraw/zinc/23/58/05/811235805.db2.gz CVARLRXGLROJGI-QWRGUYRKSA-N 2 1 269.339 2.167 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3c(cn2)OCCC3)CCC[C@H]1C[NH3+] ZINC001205996068 811306820 /nfs/dbraw/zinc/30/68/20/811306820.db2.gz UKUWNKQWESTCTP-HIFRSBDPSA-N 2 1 289.423 2.213 20 0 CEADMP Cc1nc(CC[NH3+])nn1-c1cc[nH+]cc1-c1ccccc1 ZINC001168990487 811338882 /nfs/dbraw/zinc/33/88/82/811338882.db2.gz ZXEWVGIWEVIIKQ-UHFFFAOYSA-N 2 1 279.347 2.139 20 0 CEADMP CSc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001205996350 811354336 /nfs/dbraw/zinc/35/43/36/811354336.db2.gz WIHRPBSKRNZQOA-YPMHNXCESA-N 2 1 280.441 2.005 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(C)CCOCC1)C2 ZINC001169098186 811368921 /nfs/dbraw/zinc/36/89/21/811368921.db2.gz GMINVMZHWTXBFB-ZSOGYDGISA-N 2 1 252.402 2.018 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)C2 ZINC001169100664 811373643 /nfs/dbraw/zinc/37/36/43/811373643.db2.gz KZBBYKUDFUIVSR-QKPAOTATSA-N 2 1 266.429 2.142 20 0 CEADMP COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(OC)c1 ZINC001169081774 811379842 /nfs/dbraw/zinc/37/98/42/811379842.db2.gz WGEZDZOQVKKJQT-QKDCVEJESA-N 2 1 290.407 2.419 20 0 CEADMP COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(OC)c1 ZINC001169081774 811379852 /nfs/dbraw/zinc/37/98/52/811379852.db2.gz WGEZDZOQVKKJQT-QKDCVEJESA-N 2 1 290.407 2.419 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001169122851 811388893 /nfs/dbraw/zinc/38/88/93/811388893.db2.gz FLGUSLHTDRXGMB-UUAJXVIYSA-N 2 1 279.472 2.320 20 0 CEADMP CC(C)[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC001169122851 811388902 /nfs/dbraw/zinc/38/89/02/811388902.db2.gz FLGUSLHTDRXGMB-UUAJXVIYSA-N 2 1 279.472 2.320 20 0 CEADMP CC(C)[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC001169122851 811388905 /nfs/dbraw/zinc/38/89/05/811388905.db2.gz FLGUSLHTDRXGMB-UUAJXVIYSA-N 2 1 279.472 2.320 20 0 CEADMP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001169122851 811388915 /nfs/dbraw/zinc/38/89/15/811388915.db2.gz FLGUSLHTDRXGMB-UUAJXVIYSA-N 3 1 279.472 2.320 20 0 CEADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001169122851 811388927 /nfs/dbraw/zinc/38/89/27/811388927.db2.gz FLGUSLHTDRXGMB-UUAJXVIYSA-N 3 1 279.472 2.320 20 0 CEADMP CC(C)[NH+]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC001169122851 811388933 /nfs/dbraw/zinc/38/89/33/811388933.db2.gz FLGUSLHTDRXGMB-UUAJXVIYSA-N 3 1 279.472 2.320 20 0 CEADMP CC(C)[NH+]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC001169122851 811388941 /nfs/dbraw/zinc/38/89/41/811388941.db2.gz FLGUSLHTDRXGMB-UUAJXVIYSA-N 3 1 279.472 2.320 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169122797 811390042 /nfs/dbraw/zinc/39/00/42/811390042.db2.gz DQSVZWIRKLBNHS-QKDCVEJESA-N 2 1 284.407 2.358 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169122797 811390053 /nfs/dbraw/zinc/39/00/53/811390053.db2.gz DQSVZWIRKLBNHS-QKDCVEJESA-N 2 1 284.407 2.358 20 0 CEADMP COC[C@@H]1CCCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124457 811390567 /nfs/dbraw/zinc/39/05/67/811390567.db2.gz CXCGTPIQKIDZNV-LJISPDSOSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124457 811390577 /nfs/dbraw/zinc/39/05/77/811390577.db2.gz CXCGTPIQKIDZNV-LJISPDSOSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124457 811390583 /nfs/dbraw/zinc/39/05/83/811390583.db2.gz CXCGTPIQKIDZNV-LJISPDSOSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+](CCc1ccccn1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124995 811393259 /nfs/dbraw/zinc/39/32/59/811393259.db2.gz VYFMAMSVRUOMQD-MUJYYYPQSA-N 2 1 259.397 2.181 20 0 CEADMP C[NH+](CCc1ccccn1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124995 811393269 /nfs/dbraw/zinc/39/32/69/811393269.db2.gz VYFMAMSVRUOMQD-MUJYYYPQSA-N 2 1 259.397 2.181 20 0 CEADMP C[NH+](CCc1ccccn1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124995 811393280 /nfs/dbraw/zinc/39/32/80/811393280.db2.gz VYFMAMSVRUOMQD-MUJYYYPQSA-N 2 1 259.397 2.181 20 0 CEADMP CCCc1cc(C[NH3+])nn1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169107850 811400767 /nfs/dbraw/zinc/40/07/67/811400767.db2.gz LHGUCRJHOVCSNG-NHAGDIPZSA-N 2 1 262.401 2.092 20 0 CEADMP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169109386 811403089 /nfs/dbraw/zinc/40/30/89/811403089.db2.gz BONBYGYSCDLNRN-WFLNUHJHSA-N 3 1 265.445 2.074 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H]([NH+](C)C)CC1)C2 ZINC001169109386 811403095 /nfs/dbraw/zinc/40/30/95/811403095.db2.gz BONBYGYSCDLNRN-WFLNUHJHSA-N 2 1 265.445 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1nc(-c3ccncc3)cc1C[NH3+])C2 ZINC001169109072 811403988 /nfs/dbraw/zinc/40/39/88/811403988.db2.gz XZBKWNYNLATGIY-QDMKHBRRSA-N 2 1 297.406 2.202 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169109542 811404387 /nfs/dbraw/zinc/40/43/87/811404387.db2.gz DBQGMQUODNWIKT-DGXTUMSLSA-N 2 1 294.439 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Nc1cccc(CC[NH3+])c1)C2 ZINC001169113986 811407065 /nfs/dbraw/zinc/40/70/65/811407065.db2.gz VLYXDHSADPRGQO-MUJYYYPQSA-N 2 1 259.397 2.225 20 0 CEADMP CC[NH+](CC)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169143199 811408974 /nfs/dbraw/zinc/40/89/74/811408974.db2.gz YXSWCBUPKHLYEW-FVQHAEBGSA-N 2 1 279.472 2.418 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)ncn3C)CCC[C@@H]1C[NH3+] ZINC001206003590 811410389 /nfs/dbraw/zinc/41/03/89/811410389.db2.gz KACUEWQIGCRPDY-DZGCQCFKSA-N 2 1 286.423 2.380 20 0 CEADMP CCOC(=O)[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H]1C ZINC001169146463 811410668 /nfs/dbraw/zinc/41/06/68/811410668.db2.gz PXODFYMJRDNCJS-OWYFMNJBSA-N 2 1 294.439 2.275 20 0 CEADMP CCOC(=O)[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1C ZINC001169146463 811410672 /nfs/dbraw/zinc/41/06/72/811410672.db2.gz PXODFYMJRDNCJS-OWYFMNJBSA-N 2 1 294.439 2.275 20 0 CEADMP CCOC(=O)[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC001169146463 811410681 /nfs/dbraw/zinc/41/06/81/811410681.db2.gz PXODFYMJRDNCJS-OWYFMNJBSA-N 2 1 294.439 2.275 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccnc1[C@H]1CCC[NH2+]C1)C2 ZINC001169147693 811412664 /nfs/dbraw/zinc/41/26/64/811412664.db2.gz VWRRMOXKLRJPDZ-XQLPTFJDSA-N 2 1 274.412 2.148 20 0 CEADMP CC(C)[N@@H+](C1CCN(C)CC1)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169154773 811414775 /nfs/dbraw/zinc/41/47/75/811414775.db2.gz UYHMRVACAUYFPW-FVQHAEBGSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[N@H+](C1CCN(C)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169154773 811414780 /nfs/dbraw/zinc/41/47/80/811414780.db2.gz UYHMRVACAUYFPW-FVQHAEBGSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[N@@H+](C1CCN(C)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169154773 811414787 /nfs/dbraw/zinc/41/47/87/811414787.db2.gz UYHMRVACAUYFPW-FVQHAEBGSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[NH+](C1CCN(C)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169154773 811414794 /nfs/dbraw/zinc/41/47/94/811414794.db2.gz UYHMRVACAUYFPW-FVQHAEBGSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[NH+](C1CCN(C)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169154773 811414799 /nfs/dbraw/zinc/41/47/99/811414799.db2.gz UYHMRVACAUYFPW-FVQHAEBGSA-N 2 1 279.472 2.416 20 0 CEADMP CC1(C)C[C@H](Nc2cc[nH+]c(CN)c2)C[C@@](C)(C[NH3+])C1 ZINC001169151112 811415192 /nfs/dbraw/zinc/41/51/92/811415192.db2.gz FVXWOQCPWCZKTN-GOEBONIOSA-N 2 1 276.428 2.496 20 0 CEADMP CC[NH+]1CCC([NH+]2CCC(n3nccc3C)CC2)CC1 ZINC001169263667 811451916 /nfs/dbraw/zinc/45/19/16/811451916.db2.gz DXNVUTAVAQLADN-UHFFFAOYSA-N 2 1 276.428 2.313 20 0 CEADMP CC(C)(C[NH3+])[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169275212 811469720 /nfs/dbraw/zinc/46/97/20/811469720.db2.gz OLROOYCUQLJEQR-UHFFFAOYSA-N 2 1 290.407 2.482 20 0 CEADMP CC[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001044336892 811472803 /nfs/dbraw/zinc/47/28/03/811472803.db2.gz XBXQHFBVHHLVDH-GOEBONIOSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2Cc3ccccc3O2)CC1 ZINC001169267865 811473873 /nfs/dbraw/zinc/47/38/73/811473873.db2.gz AIIPZKHXPVCZCD-INIZCTEOSA-N 2 1 274.408 2.406 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2Cc3ccccc3O2)CC1 ZINC001169267865 811473879 /nfs/dbraw/zinc/47/38/79/811473879.db2.gz AIIPZKHXPVCZCD-INIZCTEOSA-N 2 1 274.408 2.406 20 0 CEADMP Cc1scnc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206011847 811513508 /nfs/dbraw/zinc/51/35/08/811513508.db2.gz GVWDEEYLRSHPAK-CMPLNLGQSA-N 2 1 253.415 2.258 20 0 CEADMP CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001044742848 811531084 /nfs/dbraw/zinc/53/10/84/811531084.db2.gz IYYZJTQTZTZGDC-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(Cl)ncc2[O-])CCC[C@@H]1C[NH3+] ZINC001206012382 811546516 /nfs/dbraw/zinc/54/65/16/811546516.db2.gz KXGHSDKLOFKMMK-WDEREUQCSA-N 2 1 283.803 2.247 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)ncc2[O-])CCC[C@H]1C[NH3+] ZINC001206012374 811546573 /nfs/dbraw/zinc/54/65/73/811546573.db2.gz KXGHSDKLOFKMMK-MNOVXSKESA-N 2 1 283.803 2.247 20 0 CEADMP CC(C)=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001045390835 811606239 /nfs/dbraw/zinc/60/62/39/811606239.db2.gz VQNCWCQUTGBAKV-OAHLLOKOSA-N 2 1 293.455 2.018 20 0 CEADMP CCOC(=O)N1CCC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001169652393 811607692 /nfs/dbraw/zinc/60/76/92/811607692.db2.gz OWUYUJKHCUMCON-CABCVRRESA-N 2 1 297.443 2.071 20 0 CEADMP CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001045439076 811611227 /nfs/dbraw/zinc/61/12/27/811611227.db2.gz YTIXSQUARNIVRZ-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(N3CCCC3)o2)CC[C@@H]1F ZINC001206166172 815463543 /nfs/dbraw/zinc/46/35/43/815463543.db2.gz RGMFMLNSEVVFHE-KBPBESRZSA-N 2 1 281.375 2.141 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)o2)CC[C@@H]1F ZINC001206166172 815463545 /nfs/dbraw/zinc/46/35/45/815463545.db2.gz RGMFMLNSEVVFHE-KBPBESRZSA-N 2 1 281.375 2.141 20 0 CEADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169797393 811664594 /nfs/dbraw/zinc/66/45/94/811664594.db2.gz FMARWKVUBUIJHB-HOTGVXAUSA-N 2 1 295.471 2.311 20 0 CEADMP CC[C@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CC)C2)C1)[NH+](C)C ZINC001045946820 811667538 /nfs/dbraw/zinc/66/75/38/811667538.db2.gz BASOUUDRVRIRMY-NVXWUHKLSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(N)c(F)c2)CCC[C@H]1C[NH3+] ZINC001206022853 811687532 /nfs/dbraw/zinc/68/75/32/811687532.db2.gz DCEBWGZMVJYLIW-YPMHNXCESA-N 2 1 265.376 2.215 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)CCC[C@H]1C[NH3+] ZINC001206023564 811690360 /nfs/dbraw/zinc/69/03/60/811690360.db2.gz FUZZNJBKERUDOZ-HIFRSBDPSA-N 2 1 273.424 2.097 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](C)CCC[NH+]2CCCC2)C1 ZINC001172616530 815476082 /nfs/dbraw/zinc/47/60/82/815476082.db2.gz MSANLVMEPPSQML-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP C[NH+](C)CCC[N@H+](CCC[NH3+])C1CC(C)(C)OC(C)(C)C1 ZINC001172650031 815481729 /nfs/dbraw/zinc/48/17/29/815481729.db2.gz FFDXMMSCYSLUIS-UHFFFAOYSA-N 3 1 299.503 2.325 20 0 CEADMP C[NH+](C)CCC[N@@H+](CCC[NH3+])C1CC(C)(C)OC(C)(C)C1 ZINC001172650031 815481732 /nfs/dbraw/zinc/48/17/32/815481732.db2.gz FFDXMMSCYSLUIS-UHFFFAOYSA-N 3 1 299.503 2.325 20 0 CEADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109865764 811962567 /nfs/dbraw/zinc/96/25/67/811962567.db2.gz ZATKREUJOGKAFJ-FZKCQIBNSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH+]1CCC([N@@H+](C)C[C@@H](O)C(C)C)CC1 ZINC001253767728 811968807 /nfs/dbraw/zinc/96/88/07/811968807.db2.gz HASGIXGMMDDMEE-OAHLLOKOSA-N 2 1 256.434 2.200 20 0 CEADMP COC(=O)[C@@H](CCC[NH3+])[NH2+]C1CCC2(CCCC2)CC1 ZINC001172726587 815494626 /nfs/dbraw/zinc/49/46/26/815494626.db2.gz XZVRSWVRMSOHSC-CQSZACIVSA-N 2 1 282.428 2.360 20 0 CEADMP CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(C)C)[NH+](C)C ZINC001049550107 812165890 /nfs/dbraw/zinc/16/58/90/812165890.db2.gz KCFMACZMOMWGCA-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001113348529 812224770 /nfs/dbraw/zinc/22/47/70/812224770.db2.gz RDBQADADGBSMDW-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000399408427 812264168 /nfs/dbraw/zinc/26/41/68/812264168.db2.gz JLKSXURBSBHLGV-BBBLOLIVSA-N 2 1 251.201 2.382 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000399408427 812264174 /nfs/dbraw/zinc/26/41/74/812264174.db2.gz JLKSXURBSBHLGV-BBBLOLIVSA-N 2 1 251.201 2.382 20 0 CEADMP CC[C@@H]1C[C@H]([N@@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC001170220693 812340935 /nfs/dbraw/zinc/34/09/35/812340935.db2.gz IUQWXESIMYJRNW-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC001206572213 812362332 /nfs/dbraw/zinc/36/23/32/812362332.db2.gz CBYPSDBDAJTQPH-INIZCTEOSA-N 3 1 261.413 2.096 20 0 CEADMP C[C@@]1(C[NH3+])CCCCN(Cc2cccc(C[NH3+])c2)C1 ZINC001206572213 812362338 /nfs/dbraw/zinc/36/23/38/812362338.db2.gz CBYPSDBDAJTQPH-INIZCTEOSA-N 2 1 261.413 2.096 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3cccnc3c2)CC[C@H]1F ZINC001206174991 815523237 /nfs/dbraw/zinc/52/32/37/815523237.db2.gz RBGQIKMPKOQQNR-CABCVRRESA-N 2 1 273.355 2.496 20 0 CEADMP CC/C=C/CC[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129422719 812493182 /nfs/dbraw/zinc/49/31/82/812493182.db2.gz LGWJJPZPLSTHLR-JFDDCEBESA-N 2 1 295.471 2.311 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](C)CC(C)C ZINC001130425243 812566959 /nfs/dbraw/zinc/56/69/59/812566959.db2.gz PRMVDHRUMOPDBE-AWEZNQCLSA-N 2 1 285.476 2.105 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC1CC2(CCC2)C1 ZINC001130428027 812567004 /nfs/dbraw/zinc/56/70/04/812567004.db2.gz ZQUIVSMOIWIDGX-UHFFFAOYSA-N 2 1 295.471 2.003 20 0 CEADMP CO[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C1 ZINC001172926270 815547977 /nfs/dbraw/zinc/54/79/77/815547977.db2.gz PCWDCTZMWXQHNG-BBWFWOEESA-N 2 1 296.455 2.035 20 0 CEADMP CO[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C1 ZINC001172926270 815547981 /nfs/dbraw/zinc/54/79/81/815547981.db2.gz PCWDCTZMWXQHNG-BBWFWOEESA-N 2 1 296.455 2.035 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC)C1 ZINC001132364202 812834236 /nfs/dbraw/zinc/83/42/36/812834236.db2.gz ASJKEXBUUVSMFN-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC)C1 ZINC001132364202 812834244 /nfs/dbraw/zinc/83/42/44/812834244.db2.gz ASJKEXBUUVSMFN-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132377440 812837877 /nfs/dbraw/zinc/83/78/77/812837877.db2.gz XNKMLPNPQNWVND-HOTGVXAUSA-N 2 1 295.471 2.264 20 0 CEADMP CC(C)C[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132434436 812849815 /nfs/dbraw/zinc/84/98/15/812849815.db2.gz WVOSYBCTQVDHLL-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCC2)C1 ZINC001132441063 812856388 /nfs/dbraw/zinc/85/63/88/812856388.db2.gz KAWMRIMPSQFWRH-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132441063 812856398 /nfs/dbraw/zinc/85/63/98/812856398.db2.gz KAWMRIMPSQFWRH-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCC2)C1 ZINC001132441063 812856408 /nfs/dbraw/zinc/85/64/08/812856408.db2.gz KAWMRIMPSQFWRH-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2CC2)C1 ZINC001132441899 812857172 /nfs/dbraw/zinc/85/71/72/812857172.db2.gz VBJSJFAGVMTSIF-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132441899 812857182 /nfs/dbraw/zinc/85/71/82/812857182.db2.gz VBJSJFAGVMTSIF-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2CC2)C1 ZINC001132441899 812857191 /nfs/dbraw/zinc/85/71/91/812857191.db2.gz VBJSJFAGVMTSIF-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132518913 812871071 /nfs/dbraw/zinc/87/10/71/812871071.db2.gz QBGFTOMZDYEHHG-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2CC2)C1 ZINC001132518913 812871080 /nfs/dbraw/zinc/87/10/80/812871080.db2.gz QBGFTOMZDYEHHG-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP [NH3+]CCc1c[nH+]cn1[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170655907 812993559 /nfs/dbraw/zinc/99/35/59/812993559.db2.gz UGBMSQOXTQIXOE-LBPRGKRZSA-N 2 1 277.318 2.393 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052496340 812998011 /nfs/dbraw/zinc/99/80/11/812998011.db2.gz WGAMUFBAGCPYSF-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001052496340 812998016 /nfs/dbraw/zinc/99/80/16/812998016.db2.gz WGAMUFBAGCPYSF-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001052496340 812998022 /nfs/dbraw/zinc/99/80/22/812998022.db2.gz WGAMUFBAGCPYSF-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](CC)CC2)C1 ZINC001052651883 813020393 /nfs/dbraw/zinc/02/03/93/813020393.db2.gz OHRVOQLQSMZFHF-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](CC)CC2)C1 ZINC001052651883 813020401 /nfs/dbraw/zinc/02/04/01/813020401.db2.gz OHRVOQLQSMZFHF-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC)CC2)C1 ZINC001052651883 813020407 /nfs/dbraw/zinc/02/04/07/813020407.db2.gz OHRVOQLQSMZFHF-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(C)C)C1 ZINC001133253268 813020954 /nfs/dbraw/zinc/02/09/54/813020954.db2.gz FBDNLBYFUIMRFL-HOTGVXAUSA-N 2 1 297.487 2.058 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](CC)CC2)C1 ZINC001052651885 813021404 /nfs/dbraw/zinc/02/14/04/813021404.db2.gz OHRVOQLQSMZFHF-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC)CC2)C1 ZINC001052651885 813021412 /nfs/dbraw/zinc/02/14/12/813021412.db2.gz OHRVOQLQSMZFHF-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC)CC2)C1 ZINC001052651885 813021419 /nfs/dbraw/zinc/02/14/19/813021419.db2.gz OHRVOQLQSMZFHF-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCN1CCC([N@@H+](C)Cc2c[nH]c3ncccc23)CC1 ZINC001137402529 813033975 /nfs/dbraw/zinc/03/39/75/813033975.db2.gz YAXKNSJTQGJQID-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2c[nH]c3ncccc23)CC1 ZINC001137402529 813033986 /nfs/dbraw/zinc/03/39/86/813033986.db2.gz YAXKNSJTQGJQID-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206188784 815578575 /nfs/dbraw/zinc/57/85/75/815578575.db2.gz VWYXVHGOKWZZGC-GJZGRUSLSA-N 2 1 266.360 2.094 20 0 CEADMP C[NH+](C)C1CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173135414 815595076 /nfs/dbraw/zinc/59/50/76/815595076.db2.gz NOBJBXGVBZHLEB-LBPRGKRZSA-N 2 1 265.426 2.026 20 0 CEADMP C[N@@H+](CC(=O)NCC[NH2+]CCC1CCCC1)CC(C)(C)C ZINC001133907913 813174892 /nfs/dbraw/zinc/17/48/92/813174892.db2.gz CQYMCBPQRIPSNV-UHFFFAOYSA-N 2 1 297.487 2.250 20 0 CEADMP C[N@@H+](CC(=O)NCC[NH2+]CCCC1CCC1)CC(C)(C)C ZINC001133908432 813175220 /nfs/dbraw/zinc/17/52/20/813175220.db2.gz QVASWGAEOGVKCL-UHFFFAOYSA-N 2 1 297.487 2.250 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)NC(=O)OC(C)(C)C ZINC000390741134 813269253 /nfs/dbraw/zinc/26/92/53/813269253.db2.gz CDMCGTGWLPCQAC-LBPRGKRZSA-N 2 1 297.443 2.116 20 0 CEADMP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608237 813298428 /nfs/dbraw/zinc/29/84/28/813298428.db2.gz SQUYBBQBNJULSR-HUUCEWRRSA-N 2 1 297.487 2.390 20 0 CEADMP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135007234 813352334 /nfs/dbraw/zinc/35/23/34/813352334.db2.gz GFPRWJCRFIQOMH-KGLIPLIRSA-N 2 1 292.427 2.031 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCOCC1)C2 ZINC001170789044 813361083 /nfs/dbraw/zinc/36/10/83/813361083.db2.gz YEIYFQINUOZGKP-XQLPTFJDSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCOCC1)C2 ZINC001170789044 813361090 /nfs/dbraw/zinc/36/10/90/813361090.db2.gz YEIYFQINUOZGKP-XQLPTFJDSA-N 2 1 252.402 2.160 20 0 CEADMP CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583792 813469302 /nfs/dbraw/zinc/46/93/02/813469302.db2.gz FNWHEEIKWNBMBU-KBPBESRZSA-N 2 1 294.443 2.289 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]C(C)C ZINC001135680275 813501006 /nfs/dbraw/zinc/50/10/06/813501006.db2.gz UDTBOFODKBNNMS-KGLIPLIRSA-N 2 1 294.443 2.253 20 0 CEADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072072371 813541268 /nfs/dbraw/zinc/54/12/68/813541268.db2.gz JJLBHOCDOOLJRW-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC=C(C)C ZINC001135860360 813548859 /nfs/dbraw/zinc/54/88/59/813548859.db2.gz ASGDVPXZNCVAJX-HUUCEWRRSA-N 2 1 283.460 2.167 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000396555866 813573638 /nfs/dbraw/zinc/57/36/38/813573638.db2.gz GKOORZWFJMMXRD-SZMVWBNQSA-N 2 1 287.451 2.381 20 0 CEADMP C1CCC2(CC1)C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CC[NH2+]2 ZINC001246097032 813685409 /nfs/dbraw/zinc/68/54/09/813685409.db2.gz MRTNWZRCJJIIMA-GJZGRUSLSA-N 3 1 265.445 2.173 20 0 CEADMP CCCC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H](C)C2)CC[NH2+]1 ZINC001246098898 813687778 /nfs/dbraw/zinc/68/77/78/813687778.db2.gz KNFIPGFXUADBQV-CAOSSQGBSA-N 3 1 267.461 2.132 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246113118 813704532 /nfs/dbraw/zinc/70/45/32/813704532.db2.gz RZUXXGOAUGCDQP-KFWWJZLASA-N 3 1 267.461 2.132 20 0 CEADMP C[N@@H+](CCO)CCC[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171033624 813762008 /nfs/dbraw/zinc/76/20/08/813762008.db2.gz OSQHHFVQUQBTIO-CQSZACIVSA-N 2 1 296.842 2.101 20 0 CEADMP CCC(C)(C)C1CCC([NH2+][C@]2(CO)CC[NH2+]C2)CC1 ZINC001246288774 813762363 /nfs/dbraw/zinc/76/23/63/813762363.db2.gz NXIYZSAADSFXFY-ZBCRRDGASA-N 2 1 268.445 2.295 20 0 CEADMP CCC[C@@]1(C[NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCN1 ZINC001246458283 813835865 /nfs/dbraw/zinc/83/58/65/813835865.db2.gz XWWRGPMVGSIWSO-PMPSAXMXSA-N 2 1 265.445 2.031 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)COC2)CC1CC[NH+](C)CC1 ZINC001137027154 813840268 /nfs/dbraw/zinc/84/02/68/813840268.db2.gz GSQPZEOPEUPPTQ-UHFFFAOYSA-N 2 1 274.408 2.490 20 0 CEADMP C[C@@H](CC(F)(F)F)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001255656281 813879752 /nfs/dbraw/zinc/87/97/52/813879752.db2.gz SNMDGQUPAWCIDC-ZDUSSCGKSA-N 2 1 293.377 2.041 20 0 CEADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc3c[nH]nc31)CC2 ZINC001276391325 813900912 /nfs/dbraw/zinc/90/09/12/813900912.db2.gz PYKGAJWSLRXAAU-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC ZINC001171122318 813902687 /nfs/dbraw/zinc/90/26/87/813902687.db2.gz YJNIZNBHHRINPS-HUUCEWRRSA-N 2 1 283.460 2.145 20 0 CEADMP C[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC001246528450 813906103 /nfs/dbraw/zinc/90/61/03/813906103.db2.gz HMBUYULFKSAJMO-OAHLLOKOSA-N 2 1 261.413 2.115 20 0 CEADMP CC(C)CCC[C@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246539615 813944756 /nfs/dbraw/zinc/94/47/56/813944756.db2.gz BTVRKALITBQEJI-LSDHHAIUSA-N 2 1 256.434 2.377 20 0 CEADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(O)cn2)CC1 ZINC001144259365 814005584 /nfs/dbraw/zinc/00/55/84/814005584.db2.gz PKWZSHMRRFLNCS-UHFFFAOYSA-N 2 1 277.412 2.339 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)C1 ZINC001246558129 814037063 /nfs/dbraw/zinc/03/70/63/814037063.db2.gz MDNHMRTUWVHKRC-XGUBFFRZSA-N 2 1 282.428 2.025 20 0 CEADMP CC(C)=CCC[C@@H](C)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246565760 814057609 /nfs/dbraw/zinc/05/76/09/814057609.db2.gz ZQEHKZMPTCKJQZ-CABCVRRESA-N 2 1 254.418 2.297 20 0 CEADMP CCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001100344616 814101002 /nfs/dbraw/zinc/10/10/02/814101002.db2.gz DNSYAJGYYGECCJ-SSHXOBKSSA-N 2 1 295.471 2.001 20 0 CEADMP c1[nH+]c(CN2CC[NH+](C3CCC3)CC2)c2ccccn12 ZINC001144610960 814126136 /nfs/dbraw/zinc/12/61/36/814126136.db2.gz GNCPHBVQSANGJT-UHFFFAOYSA-N 2 1 270.380 2.004 20 0 CEADMP CC[C@H](C)C[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001100456912 814130538 /nfs/dbraw/zinc/13/05/38/814130538.db2.gz IJRCMRPAEJABGK-NFOMZHRRSA-N 2 1 297.487 2.247 20 0 CEADMP C[C@@H]1CC([N@H+]2CCC[C@@](C)(C[NH3+])CC2)C[C@@H](C)O1 ZINC001246578485 814136430 /nfs/dbraw/zinc/13/64/30/814136430.db2.gz REOKYZOIAGLNIP-UMVBOHGHSA-N 2 1 254.418 2.393 20 0 CEADMP C1CC[C@]2(CCCC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)C[NH2+]C1 ZINC001246601022 814200732 /nfs/dbraw/zinc/20/07/32/814200732.db2.gz FTVURTITRJUMOB-SJORKVTESA-N 3 1 279.472 2.374 20 0 CEADMP C1CC[C@]2(CCCCN([C@@H]3CCC[NH2+]CC3)C2)C[NH2+]C1 ZINC001246601022 814200743 /nfs/dbraw/zinc/20/07/43/814200743.db2.gz FTVURTITRJUMOB-SJORKVTESA-N 2 1 279.472 2.374 20 0 CEADMP CC(C)OCC[C@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246613415 814214381 /nfs/dbraw/zinc/21/43/81/814214381.db2.gz ZGBACIBCMPGPSZ-LSDHHAIUSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC(C)(C)C1 ZINC001246623067 814221402 /nfs/dbraw/zinc/22/14/02/814221402.db2.gz JPOIPIKFAVCFDZ-KBUPBQIOSA-N 2 1 266.429 2.121 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171247551 814223626 /nfs/dbraw/zinc/22/36/26/814223626.db2.gz MDMQMAGDLFTHTK-ZIAGYGMSSA-N 2 1 292.427 2.045 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246848974 814283915 /nfs/dbraw/zinc/28/39/15/814283915.db2.gz XRQNDRBJQYBUGV-GJZGRUSLSA-N 3 1 265.445 2.255 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246848974 814283921 /nfs/dbraw/zinc/28/39/21/814283921.db2.gz XRQNDRBJQYBUGV-GJZGRUSLSA-N 3 1 265.445 2.255 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318844 814378207 /nfs/dbraw/zinc/37/82/07/814378207.db2.gz MIAJLKKPJLWLHW-HUUCEWRRSA-N 2 1 297.487 2.058 20 0 CEADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[N@@H+](CC)C[C@H]1C)C(C)C ZINC001102472319 814389686 /nfs/dbraw/zinc/38/96/86/814389686.db2.gz VTOQNIGCTZCNSH-OAGGEKHMSA-N 2 1 297.487 2.057 20 0 CEADMP CC[C@H](C)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600359 814399713 /nfs/dbraw/zinc/39/97/13/814399713.db2.gz BDRPDWJBULTIHY-ARFHVFGLSA-N 2 1 297.487 2.057 20 0 CEADMP CC[C@H](C)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102600359 814399722 /nfs/dbraw/zinc/39/97/22/814399722.db2.gz BDRPDWJBULTIHY-ARFHVFGLSA-N 2 1 297.487 2.057 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC1CCC1 ZINC001147359311 814428531 /nfs/dbraw/zinc/42/85/31/814428531.db2.gz NZZWOLSYWDFXJZ-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH2+]CC(C)C)c1ccccc1 ZINC001147466429 814445681 /nfs/dbraw/zinc/44/56/81/814445681.db2.gz LLNCOTQCRJCZON-MRXNPFEDSA-N 2 1 291.439 2.041 20 0 CEADMP CC(C)C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(=O)N(C)C ZINC001256565419 814472019 /nfs/dbraw/zinc/47/20/19/814472019.db2.gz AGVLGQYMMZZAPY-HNNXBMFYSA-N 2 1 297.487 2.342 20 0 CEADMP COC(=O)[C@@H]1C[C@H](C)C[N@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256574032 814474168 /nfs/dbraw/zinc/47/41/68/814474168.db2.gz SEJJKWGKZNAVRC-UONOGXRCSA-N 2 1 296.455 2.380 20 0 CEADMP CCc1cccc(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)c1 ZINC001247509415 814684435 /nfs/dbraw/zinc/68/44/35/814684435.db2.gz VGXQYUMLPNWZAH-LBPRGKRZSA-N 2 1 260.341 2.038 20 0 CEADMP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450855 814709041 /nfs/dbraw/zinc/70/90/41/814709041.db2.gz QYZJCIASMHRYDM-OAHLLOKOSA-N 2 1 295.471 2.145 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC001173110522 815583060 /nfs/dbraw/zinc/58/30/60/815583060.db2.gz UZSZHIJBGDAOBF-PRLABOORSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](CC)C1CCC(N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001173111609 815584241 /nfs/dbraw/zinc/58/42/41/815584241.db2.gz IKHYCSJMQZNBNV-JCYILVPMSA-N 2 1 279.472 2.419 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001173111619 815584752 /nfs/dbraw/zinc/58/47/52/815584752.db2.gz IOLQPXWJBINBEJ-KLAILNCOSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCC3)O2)[C@H]1C[NH3+] ZINC000712450539 814748815 /nfs/dbraw/zinc/74/88/15/814748815.db2.gz HMSJSFSOTJLTQC-MCIONIFRSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)O2)[C@H]1C[NH3+] ZINC000712450539 814748817 /nfs/dbraw/zinc/74/88/17/814748817.db2.gz HMSJSFSOTJLTQC-MCIONIFRSA-N 2 1 252.402 2.147 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712448857 814748942 /nfs/dbraw/zinc/74/89/42/814748942.db2.gz DJNKNMPSRRHUBO-KBPBESRZSA-N 2 1 252.402 2.149 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3ncsc3C2)C1 ZINC001173123541 815588028 /nfs/dbraw/zinc/58/80/28/815588028.db2.gz FDKAGCQBJCCIIR-STQMWFEESA-N 2 1 279.453 2.322 20 0 CEADMP CC1(C)CC[C@@H](C[N@@H+]2CC[NH2+]CCC23CCC3)OC1 ZINC000713243190 814847758 /nfs/dbraw/zinc/84/77/58/814847758.db2.gz QLJGESAWCDEGFK-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP CC1(C)CC[C@@H](C[N@H+]2CC[NH2+]CCC23CCC3)OC1 ZINC000713243190 814847762 /nfs/dbraw/zinc/84/77/62/814847762.db2.gz QLJGESAWCDEGFK-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC(C)(C)CO2)CC[N@H+]1C ZINC000713518156 814861731 /nfs/dbraw/zinc/86/17/31/814861731.db2.gz ZFSJMPCLORDSLX-MGPQQGTHSA-N 2 1 254.418 2.264 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3c(c2)NCCC3)CC[C@H]1F ZINC001206196866 815643951 /nfs/dbraw/zinc/64/39/51/815643951.db2.gz DXDFYAOLLDISQI-HUUCEWRRSA-N 2 1 277.387 2.306 20 0 CEADMP CC[C@@H]1CC[C@H]([N@@H+](CCC[NH+](C)C)CCC(=O)OC)C1 ZINC001173282387 815667554 /nfs/dbraw/zinc/66/75/54/815667554.db2.gz XUJAWETVSZZXOG-CABCVRRESA-N 2 1 284.444 2.382 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](CC3CCCCC3)C2)C1 ZINC001173353102 815678733 /nfs/dbraw/zinc/67/87/33/815678733.db2.gz IQBJRUDRZMDKAQ-IRXDYDNUSA-N 2 1 279.472 2.325 20 0 CEADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001173353102 815678737 /nfs/dbraw/zinc/67/87/37/815678737.db2.gz IQBJRUDRZMDKAQ-IRXDYDNUSA-N 2 1 279.472 2.325 20 0 CEADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001173353102 815678741 /nfs/dbraw/zinc/67/87/41/815678741.db2.gz IQBJRUDRZMDKAQ-IRXDYDNUSA-N 2 1 279.472 2.325 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001173349445 815685960 /nfs/dbraw/zinc/68/59/60/815685960.db2.gz GIQKSACJQVWDOY-IRXDYDNUSA-N 2 1 275.440 2.363 20 0 CEADMP CC[N@H+]1CC[C@H](n2cnc(-c3ccc(C[NH3+])cc3)c2)C1 ZINC001173356299 815697922 /nfs/dbraw/zinc/69/79/22/815697922.db2.gz GLTPHRDNIWVQRJ-HNNXBMFYSA-N 2 1 270.380 2.276 20 0 CEADMP CC[N@H+]1CC[C@H](N2CCC([NH+]3CCCCC3)CC2)C1 ZINC001173356809 815698325 /nfs/dbraw/zinc/69/83/25/815698325.db2.gz LDBRIPCTHSPJDZ-INIZCTEOSA-N 2 1 265.445 2.031 20 0 CEADMP Cc1nccn1-c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001138549020 815824741 /nfs/dbraw/zinc/82/47/41/815824741.db2.gz NWFPRMFHTQTWLL-HDICACEKSA-N 2 1 296.418 2.459 20 0 CEADMP CCCn1ncc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC001138640229 815852601 /nfs/dbraw/zinc/85/26/01/815852601.db2.gz KEYAGHBHZKCARA-INIZCTEOSA-N 2 1 276.428 2.129 20 0 CEADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCCO4)C[C@H]2C1 ZINC001138716915 815878554 /nfs/dbraw/zinc/87/85/54/815878554.db2.gz CKLIPOHMROFVFI-IAGOWNOFSA-N 2 1 286.419 2.395 20 0 CEADMP CCC(=O)Oc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001138961260 815936569 /nfs/dbraw/zinc/93/65/69/815936569.db2.gz APMXIQSKKPGYEA-UHFFFAOYSA-N 2 1 278.396 2.386 20 0 CEADMP CCC(=O)Oc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001138961260 815936574 /nfs/dbraw/zinc/93/65/74/815936574.db2.gz APMXIQSKKPGYEA-UHFFFAOYSA-N 2 1 278.396 2.386 20 0 CEADMP Cc1cc(Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc[nH+]1 ZINC001174656810 816067675 /nfs/dbraw/zinc/06/76/75/816067675.db2.gz IJPQMBSLVRMWLB-UHFFFAOYSA-N 2 1 296.418 2.303 20 0 CEADMP COc1cc(F)cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1 ZINC001140476863 816264471 /nfs/dbraw/zinc/26/44/71/816264471.db2.gz AIFSYNPOZAOHCT-KGLIPLIRSA-N 2 1 278.371 2.218 20 0 CEADMP COc1cc(F)cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001140476863 816264476 /nfs/dbraw/zinc/26/44/76/816264476.db2.gz AIFSYNPOZAOHCT-KGLIPLIRSA-N 2 1 278.371 2.218 20 0 CEADMP COc1cc(F)cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001140476863 816264478 /nfs/dbraw/zinc/26/44/78/816264478.db2.gz AIFSYNPOZAOHCT-KGLIPLIRSA-N 2 1 278.371 2.218 20 0 CEADMP COc1cc(F)cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001140476863 816264483 /nfs/dbraw/zinc/26/44/83/816264483.db2.gz AIFSYNPOZAOHCT-KGLIPLIRSA-N 2 1 278.371 2.218 20 0 CEADMP COc1cc(F)cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001140476863 816264487 /nfs/dbraw/zinc/26/44/87/816264487.db2.gz AIFSYNPOZAOHCT-KGLIPLIRSA-N 2 1 278.371 2.218 20 0 CEADMP Cc1[nH+]cn(-c2cccc(C[NH+]3CCCC3)c2)c1N ZINC001176196420 816363916 /nfs/dbraw/zinc/36/39/16/816363916.db2.gz ZRPFRRFDMDQOKU-UHFFFAOYSA-N 2 1 256.353 2.359 20 0 CEADMP c1nc2cc[nH]cc-2c1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001140805005 816364181 /nfs/dbraw/zinc/36/41/81/816364181.db2.gz ODKVDAPATPLNGV-AAEUAGOBSA-N 2 1 257.337 2.031 20 0 CEADMP c1[nH]c2ccncc2c1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001140805005 816364187 /nfs/dbraw/zinc/36/41/87/816364187.db2.gz ODKVDAPATPLNGV-AAEUAGOBSA-N 2 1 257.337 2.031 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001140805005 816364203 /nfs/dbraw/zinc/36/42/03/816364203.db2.gz ODKVDAPATPLNGV-AAEUAGOBSA-N 2 1 257.337 2.031 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001140805005 816364208 /nfs/dbraw/zinc/36/42/08/816364208.db2.gz ODKVDAPATPLNGV-AAEUAGOBSA-N 2 1 257.337 2.031 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001140805235 816369198 /nfs/dbraw/zinc/36/91/98/816369198.db2.gz XLTQNQXHIBZMNF-ABAIWWIYSA-N 2 1 257.337 2.174 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001140805235 816369206 /nfs/dbraw/zinc/36/92/06/816369206.db2.gz XLTQNQXHIBZMNF-ABAIWWIYSA-N 2 1 257.337 2.174 20 0 CEADMP Cc1[nH+]c2c(Nc3cnn(CC[NH+](C)C)c3)cccn2c1C ZINC001176445877 816411284 /nfs/dbraw/zinc/41/12/84/816411284.db2.gz IJPWFWNJVZHMKK-UHFFFAOYSA-N 2 1 298.394 2.453 20 0 CEADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnco2)CC1 ZINC001140931369 816413817 /nfs/dbraw/zinc/41/38/17/816413817.db2.gz HNEIJCYUYOFKMR-UHFFFAOYSA-N 2 1 251.374 2.227 20 0 CEADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176564109 816442650 /nfs/dbraw/zinc/44/26/50/816442650.db2.gz LPEFDZHFXXGLRO-HOTGVXAUSA-N 2 1 295.471 2.169 20 0 CEADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CCCC[NH2+]CC(C)C ZINC001176600770 816450130 /nfs/dbraw/zinc/45/01/30/816450130.db2.gz PMBSYVKEUOQUMG-CQSZACIVSA-N 2 1 294.443 2.112 20 0 CEADMP c1cn2ccc(C[N@H+]3CC[C@H]4OCCC[C@H]4C3)cc2n1 ZINC001141042389 816456865 /nfs/dbraw/zinc/45/68/65/816456865.db2.gz OXOMTJJVJPCDQP-LSDHHAIUSA-N 2 1 271.364 2.335 20 0 CEADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176760278 816473071 /nfs/dbraw/zinc/47/30/71/816473071.db2.gz STKJBFAXPJCHSC-OAHLLOKOSA-N 2 1 285.476 2.247 20 0 CEADMP CC/C=C/CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176986397 816503367 /nfs/dbraw/zinc/50/33/67/816503367.db2.gz MXKTWXKCMJBINO-JFDDCEBESA-N 2 1 295.471 2.313 20 0 CEADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](OCC[NH+](C)C)C1 ZINC001206288582 816504415 /nfs/dbraw/zinc/50/44/15/816504415.db2.gz YZCRFGCZNWSDTL-HUUCEWRRSA-N 2 1 277.412 2.185 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(-n4ccnc4)c3)C[C@@H]2C1 ZINC001141243308 816512480 /nfs/dbraw/zinc/51/24/80/816512480.db2.gz DDBPEFOIFALHLY-CALCHBBNSA-N 2 1 296.418 2.256 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(-n4ccnc4)c3)C[C@@H]2C1 ZINC001141243308 816512489 /nfs/dbraw/zinc/51/24/89/816512489.db2.gz DDBPEFOIFALHLY-CALCHBBNSA-N 2 1 296.418 2.256 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(-n4ccnc4)c3)C[C@@H]2C1 ZINC001141243308 816512493 /nfs/dbraw/zinc/51/24/93/816512493.db2.gz DDBPEFOIFALHLY-CALCHBBNSA-N 2 1 296.418 2.256 20 0 CEADMP CCc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)on1 ZINC001206294222 816522747 /nfs/dbraw/zinc/52/27/47/816522747.db2.gz JRSNEBJBMKQQLJ-CQSZACIVSA-N 2 1 251.374 2.188 20 0 CEADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001206297210 816534076 /nfs/dbraw/zinc/53/40/76/816534076.db2.gz WQIJACBXTVUJIG-OAHLLOKOSA-N 3 1 267.461 2.169 20 0 CEADMP C[C@@H](CC[NH+](C)C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC001141745920 816583834 /nfs/dbraw/zinc/58/38/34/816583834.db2.gz CFOUYMQXWZCWTN-HOTGVXAUSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC001177724626 816606283 /nfs/dbraw/zinc/60/62/83/816606283.db2.gz DZMLRHZZVAXLQL-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3nn(C)cc32)CC1 ZINC001142460699 816670512 /nfs/dbraw/zinc/67/05/12/816670512.db2.gz SZGKUFXGHPQSFZ-UHFFFAOYSA-N 2 1 286.423 2.489 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3nn(C)cc32)CC1 ZINC001142460699 816670519 /nfs/dbraw/zinc/67/05/19/816670519.db2.gz SZGKUFXGHPQSFZ-UHFFFAOYSA-N 2 1 286.423 2.489 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccn3nccc3c2)CC1 ZINC001206324824 816716163 /nfs/dbraw/zinc/71/61/63/816716163.db2.gz DOVKLSHKFCSDBX-INIZCTEOSA-N 2 1 272.396 2.285 20 0 CEADMP CN1CCC([N@@H+](C)Cc2ccnc3[nH]ccc32)CC1 ZINC001142866278 816743486 /nfs/dbraw/zinc/74/34/86/816743486.db2.gz FOLMRPXQZLBLGO-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP C[N@H+](Cc1ccnc2[nH]ccc21)C1CC[NH+](C)CC1 ZINC001142866278 816743492 /nfs/dbraw/zinc/74/34/92/816743492.db2.gz FOLMRPXQZLBLGO-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP C[N@@H+](Cc1ccnc2[nH]ccc21)C1CC[NH+](C)CC1 ZINC001142866278 816743498 /nfs/dbraw/zinc/74/34/98/816743498.db2.gz FOLMRPXQZLBLGO-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP CCC[N@H+](CCC[NH+](C)C)Cc1cccn2ccnc12 ZINC001142960926 816762225 /nfs/dbraw/zinc/76/22/25/816762225.db2.gz ZGIIUADFYLCBDM-UHFFFAOYSA-N 2 1 274.412 2.498 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccn2ccnc12 ZINC001142960926 816762226 /nfs/dbraw/zinc/76/22/26/816762226.db2.gz ZGIIUADFYLCBDM-UHFFFAOYSA-N 2 1 274.412 2.498 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001178689086 816781268 /nfs/dbraw/zinc/78/12/68/816781268.db2.gz RSCDNENHMFWFQQ-INIZCTEOSA-N 2 1 297.487 2.250 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CCCC1CCC1 ZINC001161226336 816814330 /nfs/dbraw/zinc/81/43/30/816814330.db2.gz DIBBBBDCRCZFEA-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP CCC[N@@H+]1C[C@H]2CN(Cc3cc4cccnc4[nH]3)C[C@H]2C1 ZINC001143229247 816817624 /nfs/dbraw/zinc/81/76/24/816817624.db2.gz SDAFMFVMRIGTBF-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000269176625 190473999 /nfs/dbraw/zinc/47/39/99/190473999.db2.gz YJQJSMGBUXRUBM-INIZCTEOSA-N 2 1 289.423 2.092 20 0 CEADMP CCC[NH2+][C@@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000449098589 282099447 /nfs/dbraw/zinc/09/94/47/282099447.db2.gz KADPXYRXAZSEIR-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000449094765 282098530 /nfs/dbraw/zinc/09/85/30/282098530.db2.gz UAHYTOFFDRBIFE-IIAWOOMASA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000567639275 299069831 /nfs/dbraw/zinc/06/98/31/299069831.db2.gz CZLMWOZOAAMWET-HRCADAONSA-N 3 1 267.461 2.275 20 0 CEADMP C[C@@H](Cc1ccoc1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000449131295 282112227 /nfs/dbraw/zinc/11/22/27/282112227.db2.gz LPOLCAVMPPYRJT-HNNXBMFYSA-N 2 1 293.455 2.074 20 0 CEADMP N[C@@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccccc21 ZINC000567652914 299071461 /nfs/dbraw/zinc/07/14/61/299071461.db2.gz OVIJCUOQIUQPQQ-HZPDHXFCSA-N 2 1 257.381 2.031 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000079921250 343994716 /nfs/dbraw/zinc/99/47/16/343994716.db2.gz QNGKEKJBBIZENT-UHFFFAOYSA-N 2 1 296.378 2.157 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000336561945 365648006 /nfs/dbraw/zinc/64/80/06/365648006.db2.gz YRWZSFVDAFKRBF-IAGOWNOFSA-N 2 1 274.408 2.110 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000336561945 365648008 /nfs/dbraw/zinc/64/80/08/365648008.db2.gz YRWZSFVDAFKRBF-IAGOWNOFSA-N 2 1 274.408 2.110 20 0 CEADMP CC1(C)CC[C@@H](CO)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000621381273 349588184 /nfs/dbraw/zinc/58/81/84/349588184.db2.gz PQXGOHMBKAXVNQ-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP CCCOc1ccc(OCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000036753883 361854566 /nfs/dbraw/zinc/85/45/66/361854566.db2.gz GIHHQXDGAUQDPP-UHFFFAOYSA-N 2 1 278.396 2.277 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000037825973 361951577 /nfs/dbraw/zinc/95/15/77/361951577.db2.gz XPEYHYDQGADKFK-GOEBONIOSA-N 2 1 297.487 2.330 20 0 CEADMP C[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000621642123 349650133 /nfs/dbraw/zinc/65/01/33/349650133.db2.gz FEUUGMRNLJBOOT-OWCLPIDISA-N 2 1 295.471 2.003 20 0 CEADMP CCC(CC)[N@@H+](CC(C)C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414697818 282178007 /nfs/dbraw/zinc/17/80/07/282178007.db2.gz CDFXASJUARSSTL-OAHLLOKOSA-N 2 1 297.487 2.330 20 0 CEADMP FC1(F)C[C@@H]1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000621733102 349686286 /nfs/dbraw/zinc/68/62/86/349686286.db2.gz BBGPSVKKLSURPJ-GXTWGEPZSA-N 2 1 288.382 2.265 20 0 CEADMP CC(=O)N1CC[C@H]([NH2+]CCC[NH+](C)C)c2ccccc21 ZINC000621749237 349692405 /nfs/dbraw/zinc/69/24/05/349692405.db2.gz VCLQYWYDAYXING-HNNXBMFYSA-N 2 1 275.396 2.026 20 0 CEADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C(C)C ZINC000125929147 187205114 /nfs/dbraw/zinc/20/51/14/187205114.db2.gz XGRYMRPDIXBWKN-GJZGRUSLSA-N 2 1 256.434 2.367 20 0 CEADMP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000621776144 349698005 /nfs/dbraw/zinc/69/80/05/349698005.db2.gz CYYFGKHCERRAHZ-CABCVRRESA-N 2 1 275.396 2.054 20 0 CEADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000621776144 349698008 /nfs/dbraw/zinc/69/80/08/349698008.db2.gz CYYFGKHCERRAHZ-CABCVRRESA-N 2 1 275.396 2.054 20 0 CEADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000668668105 539230633 /nfs/dbraw/zinc/23/06/33/539230633.db2.gz PBHJOLZZODUOPC-LVQVYYBASA-N 2 1 264.413 2.018 20 0 CEADMP c1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000668678655 539235136 /nfs/dbraw/zinc/23/51/36/539235136.db2.gz NOMAHTSWCAWXML-STQMWFEESA-N 2 1 254.337 2.109 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCCC2)[C@H](C)C1 ZINC000449345260 282194236 /nfs/dbraw/zinc/19/42/36/282194236.db2.gz HLPZCZFMXYEGGW-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C(C[C@@H]1CCOC1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668820605 539278306 /nfs/dbraw/zinc/27/83/06/539278306.db2.gz WYJSDRNESRJOEH-HZPDHXFCSA-N 2 1 266.429 2.125 20 0 CEADMP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)C(C)C ZINC000126450773 187241104 /nfs/dbraw/zinc/24/11/04/187241104.db2.gz NFJCCIYDXSOAAI-OAHLLOKOSA-N 2 1 288.395 2.336 20 0 CEADMP Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nc1 ZINC000127042585 365730921 /nfs/dbraw/zinc/73/09/21/365730921.db2.gz BLHGEXRLAYWECJ-MQVJKMGUSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC000127042585 365730929 /nfs/dbraw/zinc/73/09/29/365730929.db2.gz BLHGEXRLAYWECJ-MQVJKMGUSA-N 2 1 259.397 2.495 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC2=CCCOC2)C1 ZINC000127058543 365731235 /nfs/dbraw/zinc/73/12/35/365731235.db2.gz ZHGAREJCOLBKJJ-CQSZACIVSA-N 2 1 252.402 2.043 20 0 CEADMP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)C1CC1 ZINC000126510996 187244712 /nfs/dbraw/zinc/24/47/12/187244712.db2.gz KLXPLXWXWOXERU-OAHLLOKOSA-N 2 1 286.379 2.090 20 0 CEADMP CCC(CC)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881774 539306513 /nfs/dbraw/zinc/30/65/13/539306513.db2.gz MZVPINGPZBJGDJ-OAHLLOKOSA-N 2 1 254.418 2.408 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449508057 282263386 /nfs/dbraw/zinc/26/33/86/282263386.db2.gz MSVBSAKFHPTBRN-RDJZCZTQSA-N 2 1 289.423 2.034 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000044530254 343474340 /nfs/dbraw/zinc/47/43/40/343474340.db2.gz OIKIZKWBNQLHNO-ZDUSSCGKSA-N 2 1 266.360 2.265 20 0 CEADMP C[C@@H](NC[C@H](C)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449558646 282282846 /nfs/dbraw/zinc/28/28/46/282282846.db2.gz YTHQAHJLZRWMTM-LZLYRXPVSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449558646 282282851 /nfs/dbraw/zinc/28/28/51/282282851.db2.gz YTHQAHJLZRWMTM-LZLYRXPVSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449558646 282282853 /nfs/dbraw/zinc/28/28/53/282282853.db2.gz YTHQAHJLZRWMTM-LZLYRXPVSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(N)=[NH2+])cc1 ZINC000057887908 343640516 /nfs/dbraw/zinc/64/05/16/343640516.db2.gz FQWNROKIBFUKNE-GFCCVEGCSA-N 2 1 260.385 2.044 20 0 CEADMP C(C[NH+]1CCCCCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128002530 187346004 /nfs/dbraw/zinc/34/60/04/187346004.db2.gz NUYYMSCLEYAISS-JKSUJKDBSA-N 2 1 265.445 2.079 20 0 CEADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2cncs2)C1 ZINC000411307255 529861328 /nfs/dbraw/zinc/86/13/28/529861328.db2.gz XFTHJRDTOWZWHX-AWEZNQCLSA-N 2 1 279.453 2.349 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2cncs2)C1 ZINC000411307255 529861329 /nfs/dbraw/zinc/86/13/29/529861329.db2.gz XFTHJRDTOWZWHX-AWEZNQCLSA-N 2 1 279.453 2.349 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2cncs2)C1 ZINC000411307255 529861331 /nfs/dbraw/zinc/86/13/31/529861331.db2.gz XFTHJRDTOWZWHX-AWEZNQCLSA-N 2 1 279.453 2.349 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2cncs2)C1 ZINC000411307255 529861332 /nfs/dbraw/zinc/86/13/32/529861332.db2.gz XFTHJRDTOWZWHX-AWEZNQCLSA-N 2 1 279.453 2.349 20 0 CEADMP COCCNc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000127004302 187275725 /nfs/dbraw/zinc/27/57/25/187275725.db2.gz NNCKFRLGYBXKLJ-RHSMWYFYSA-N 2 1 291.439 2.317 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449640214 282315357 /nfs/dbraw/zinc/31/53/57/282315357.db2.gz APXDPDCWOXXUDO-UONOGXRCSA-N 2 1 292.427 2.030 20 0 CEADMP CC(C)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CC1 ZINC000128632946 365799896 /nfs/dbraw/zinc/79/98/96/365799896.db2.gz LXBQRQBYOALNOL-INIZCTEOSA-N 2 1 267.461 2.038 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000081635485 344060660 /nfs/dbraw/zinc/06/06/60/344060660.db2.gz LUYDFFLFGMGNPL-KRWDZBQOSA-N 2 1 279.472 2.136 20 0 CEADMP C[N@@H+](C[C@H](O)C1CCCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000354844382 529959409 /nfs/dbraw/zinc/95/94/09/529959409.db2.gz CGQUOXRZOBERNS-HOCLYGCPSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+](C[C@H](O)C1CCCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000354844382 529959411 /nfs/dbraw/zinc/95/94/11/529959411.db2.gz CGQUOXRZOBERNS-HOCLYGCPSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+](C[C@H](O)C1CCCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000354844382 529959412 /nfs/dbraw/zinc/95/94/12/529959412.db2.gz CGQUOXRZOBERNS-HOCLYGCPSA-N 2 1 268.445 2.201 20 0 CEADMP CCOCCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090722569 344142881 /nfs/dbraw/zinc/14/28/81/344142881.db2.gz NMSKJBILSYJDRL-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090728123 344142989 /nfs/dbraw/zinc/14/29/89/344142989.db2.gz GSIRERGMCHDEEW-UHIISALHSA-N 2 1 265.401 2.325 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cccc(C(=O)OC)c2)CC[C@@H]1[NH3+] ZINC000122897382 344308029 /nfs/dbraw/zinc/30/80/29/344308029.db2.gz KGDXLKNYMLVEQZ-ZFWWWQNUSA-N 2 1 276.380 2.032 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc(C(=O)OC)c2)CC[C@@H]1[NH3+] ZINC000122897382 344308030 /nfs/dbraw/zinc/30/80/30/344308030.db2.gz KGDXLKNYMLVEQZ-ZFWWWQNUSA-N 2 1 276.380 2.032 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000157429671 344446472 /nfs/dbraw/zinc/44/64/72/344446472.db2.gz LMEFQXJEJSWZIP-IAGOWNOFSA-N 2 1 273.424 2.453 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H](NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000227471638 344553416 /nfs/dbraw/zinc/55/34/16/344553416.db2.gz UMPALOWVUFQVDU-RBSFLKMASA-N 2 1 277.412 2.276 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1F ZINC000234657845 344586522 /nfs/dbraw/zinc/58/65/22/344586522.db2.gz ZXRUASRWCMUYPI-LLVKDONJSA-N 2 1 282.359 2.042 20 0 CEADMP COCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000449740945 282348187 /nfs/dbraw/zinc/34/81/87/282348187.db2.gz IFGWPYZXDHNQKN-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000351603356 219142902 /nfs/dbraw/zinc/14/29/02/219142902.db2.gz KOHJJVGWXMZCKA-SNPRPXQTSA-N 2 1 268.445 2.246 20 0 CEADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351603356 219142904 /nfs/dbraw/zinc/14/29/04/219142904.db2.gz KOHJJVGWXMZCKA-SNPRPXQTSA-N 2 1 268.445 2.246 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)O[C@H](C)C2 ZINC000251902749 344638136 /nfs/dbraw/zinc/63/81/36/344638136.db2.gz WNWFNSDURVSMKQ-UPJWGTAASA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(cc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)O[C@H](C)C2 ZINC000251902749 344638137 /nfs/dbraw/zinc/63/81/37/344638137.db2.gz WNWFNSDURVSMKQ-UPJWGTAASA-N 2 1 290.407 2.188 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)[nH]1 ZINC000602518071 347064313 /nfs/dbraw/zinc/06/43/13/347064313.db2.gz MVZUGDPFOMNPOT-ZDUSSCGKSA-N 2 1 293.411 2.013 20 0 CEADMP C[C@H](O)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000305876991 344711067 /nfs/dbraw/zinc/71/10/67/344711067.db2.gz RTMKDOKDMLPUFN-DZJNRPSUSA-N 2 1 288.435 2.258 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OCC)[nH]2)C1 ZINC000602530792 347067600 /nfs/dbraw/zinc/06/76/00/347067600.db2.gz SZBBHMSCIKYGJR-CYBMUJFWSA-N 2 1 293.411 2.013 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OCC)[nH]2)C1 ZINC000602530792 347067603 /nfs/dbraw/zinc/06/76/03/347067603.db2.gz SZBBHMSCIKYGJR-CYBMUJFWSA-N 2 1 293.411 2.013 20 0 CEADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339065370 344767605 /nfs/dbraw/zinc/76/76/05/344767605.db2.gz AMAHETVOLDHZPK-FBSOPKPWSA-N 2 1 298.496 2.283 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)CCO1 ZINC000449779479 282364398 /nfs/dbraw/zinc/36/43/98/282364398.db2.gz XODSTMUPBFQCFG-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](Nc1cc[nH+]cc1Br)C1CC[NH+](C)CC1 ZINC000396447454 344847230 /nfs/dbraw/zinc/84/72/30/344847230.db2.gz FUTCPRBBESVEQH-SNVBAGLBSA-N 2 1 298.228 2.408 20 0 CEADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668156654 539429914 /nfs/dbraw/zinc/42/99/14/539429914.db2.gz XFTXERXIIVQFCG-QGZVFWFLSA-N 2 1 292.423 2.238 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668156654 539429919 /nfs/dbraw/zinc/42/99/19/539429919.db2.gz XFTXERXIIVQFCG-QGZVFWFLSA-N 2 1 292.423 2.238 20 0 CEADMP O[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000273236479 192083637 /nfs/dbraw/zinc/08/36/37/192083637.db2.gz XVHBWHMKCYNSBZ-RCCFBDPRSA-N 2 1 288.435 2.197 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCCCO)CC1 ZINC000590819059 345185334 /nfs/dbraw/zinc/18/53/34/345185334.db2.gz XCEKGPZGQSZRKB-UHFFFAOYSA-N 2 1 256.434 2.201 20 0 CEADMP C[N@@H+](C[C@@H]1COc2ccccc2O1)C[C@H]1CCC[NH+](C)C1 ZINC000591084048 345218342 /nfs/dbraw/zinc/21/83/42/345218342.db2.gz RVXVVUKUHBJGDQ-LSDHHAIUSA-N 2 1 290.407 2.100 20 0 CEADMP C[N@H+](C[C@@H]1COc2ccccc2O1)C[C@H]1CCC[NH+](C)C1 ZINC000591084048 345218346 /nfs/dbraw/zinc/21/83/46/345218346.db2.gz RVXVVUKUHBJGDQ-LSDHHAIUSA-N 2 1 290.407 2.100 20 0 CEADMP C[NH+](C[C@@H]1COc2ccccc2O1)C[C@H]1CCC[N@H+](C)C1 ZINC000591084048 345218349 /nfs/dbraw/zinc/21/83/49/345218349.db2.gz RVXVVUKUHBJGDQ-LSDHHAIUSA-N 2 1 290.407 2.100 20 0 CEADMP C[NH+](C[C@@H]1COc2ccccc2O1)C[C@H]1CCC[N@@H+](C)C1 ZINC000591084048 345218354 /nfs/dbraw/zinc/21/83/54/345218354.db2.gz RVXVVUKUHBJGDQ-LSDHHAIUSA-N 2 1 290.407 2.100 20 0 CEADMP COC(=O)c1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(C)o1 ZINC000594605856 345658897 /nfs/dbraw/zinc/65/88/97/345658897.db2.gz DIZBWZWQWCPUCP-UHFFFAOYSA-N 2 1 294.395 2.339 20 0 CEADMP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000594940437 345710828 /nfs/dbraw/zinc/71/08/28/345710828.db2.gz CRGLZNOJARRKRS-YHUYYLMFSA-N 2 1 296.455 2.284 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000594956753 345715708 /nfs/dbraw/zinc/71/57/08/345715708.db2.gz MLUUAPPDWNTQGF-KLHDSHLOSA-N 2 1 296.455 2.142 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594976337 345720977 /nfs/dbraw/zinc/72/09/77/345720977.db2.gz ABYINKLYPPPQAT-SJXGUFTOSA-N 2 1 294.439 2.181 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000594976337 345720978 /nfs/dbraw/zinc/72/09/78/345720978.db2.gz ABYINKLYPPPQAT-SJXGUFTOSA-N 2 1 294.439 2.181 20 0 CEADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000162039498 232257114 /nfs/dbraw/zinc/25/71/14/232257114.db2.gz MJEFRQUGWKEFBM-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP Cn1cc(C[N@H+](C)CC(C)(C)C[NH3+])c(C(C)(C)C)n1 ZINC000128276262 187360827 /nfs/dbraw/zinc/36/08/27/187360827.db2.gz XKCFRTMHRAUTMT-UHFFFAOYSA-N 2 1 266.433 2.134 20 0 CEADMP Cn1cc(C[N@@H+](C)CC(C)(C)C[NH3+])c(C(C)(C)C)n1 ZINC000128276262 187360828 /nfs/dbraw/zinc/36/08/28/187360828.db2.gz XKCFRTMHRAUTMT-UHFFFAOYSA-N 2 1 266.433 2.134 20 0 CEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC1(CC(=O)OC)CC1 ZINC000595871497 345902936 /nfs/dbraw/zinc/90/29/36/345902936.db2.gz POGLVTIOIGFNGI-UHFFFAOYSA-N 2 1 270.417 2.040 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC1(CC(=O)OC)CC1 ZINC000595871497 345902939 /nfs/dbraw/zinc/90/29/39/345902939.db2.gz POGLVTIOIGFNGI-UHFFFAOYSA-N 2 1 270.417 2.040 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cs1 ZINC000595896391 345909416 /nfs/dbraw/zinc/90/94/16/345909416.db2.gz MSAGCASSMHXWTR-WFASDCNBSA-N 2 1 294.420 2.096 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cs1 ZINC000595896391 345909419 /nfs/dbraw/zinc/90/94/19/345909419.db2.gz MSAGCASSMHXWTR-WFASDCNBSA-N 2 1 294.420 2.096 20 0 CEADMP CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900571 345910098 /nfs/dbraw/zinc/91/00/98/345910098.db2.gz HBIGAZVOHZQUMX-LSDHHAIUSA-N 2 1 282.428 2.040 20 0 CEADMP CO[C@](C)(C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C1CC1 ZINC000336787879 365807603 /nfs/dbraw/zinc/80/76/03/365807603.db2.gz GDCMMANPCDRIIH-AYRXBEOTSA-N 2 1 254.418 2.120 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCn2cc(Cl)cn2)C[C@H]1C ZINC000459361587 290126527 /nfs/dbraw/zinc/12/65/27/290126527.db2.gz PJWFZMLCPHVANG-OCCSQVGLSA-N 2 1 284.835 2.341 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2cc(Cl)cn2)C[C@H]1C ZINC000459361587 290126528 /nfs/dbraw/zinc/12/65/28/290126528.db2.gz PJWFZMLCPHVANG-OCCSQVGLSA-N 2 1 284.835 2.341 20 0 CEADMP COc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)cc2c1OCO2 ZINC000060816826 362670227 /nfs/dbraw/zinc/67/02/27/362670227.db2.gz LIGXGDRTUJYTLX-UHFFFAOYSA-N 2 1 294.395 2.101 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(CC(=O)OC)CC2)C1 ZINC000599026768 346448258 /nfs/dbraw/zinc/44/82/58/346448258.db2.gz YZPIGLUSZKMLSZ-PCKAHOCUSA-N 2 1 296.455 2.430 20 0 CEADMP CCC(CC)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000336790781 365812243 /nfs/dbraw/zinc/81/22/43/365812243.db2.gz MEWKGOFWCOYWJB-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H](O)CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000336793030 365814502 /nfs/dbraw/zinc/81/45/02/365814502.db2.gz VDRNQMBKUYDJLW-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000600965674 346721148 /nfs/dbraw/zinc/72/11/48/346721148.db2.gz TYWJCHBJNDMNIH-VYDXJSESSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000600964101 346721235 /nfs/dbraw/zinc/72/12/35/346721235.db2.gz UTXQSIPKDTUOPD-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC000336822852 365875204 /nfs/dbraw/zinc/87/52/04/365875204.db2.gz NFHAVRFSACVONV-SJORKVTESA-N 2 1 280.456 2.467 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)CC[N@H+]1C ZINC000129555888 365871969 /nfs/dbraw/zinc/87/19/69/365871969.db2.gz AIWMDKDRDKMWRX-RDJZCZTQSA-N 2 1 298.434 2.487 20 0 CEADMP COC(=O)c1csc(C[N@@H+](C)CCCn2ccnc2)c1 ZINC000602663343 347130227 /nfs/dbraw/zinc/13/02/27/347130227.db2.gz QWNGJVUTKXHUPH-UHFFFAOYSA-N 2 1 293.392 2.253 20 0 CEADMP COC(=O)C1(C[N@@H+](C)CCCC[NH+]2CCCCC2)CC1 ZINC000603121940 347290858 /nfs/dbraw/zinc/29/08/58/347290858.db2.gz TZOVXQGORBTHPO-UHFFFAOYSA-N 2 1 282.428 2.138 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCc2ccccc21 ZINC000605435941 347449755 /nfs/dbraw/zinc/44/97/55/347449755.db2.gz GAZNRHOCUAGCDL-SFHVURJKSA-N 2 1 287.451 2.243 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)CCn2c(C)csc2=O)C[C@@H]1C ZINC000336823562 365878563 /nfs/dbraw/zinc/87/85/63/365878563.db2.gz QEFQAZGSUYPKBU-JSGCOSHPSA-N 2 1 297.468 2.023 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCn2c(C)csc2=O)C[C@@H]1C ZINC000336823562 365878566 /nfs/dbraw/zinc/87/85/66/365878566.db2.gz QEFQAZGSUYPKBU-JSGCOSHPSA-N 2 1 297.468 2.023 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCn2c(C)csc2=O)C[C@@H]1C ZINC000336823562 365878570 /nfs/dbraw/zinc/87/85/70/365878570.db2.gz QEFQAZGSUYPKBU-JSGCOSHPSA-N 2 1 297.468 2.023 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2c(C)csc2=O)C[C@@H]1C ZINC000336823562 365878572 /nfs/dbraw/zinc/87/85/72/365878572.db2.gz QEFQAZGSUYPKBU-JSGCOSHPSA-N 2 1 297.468 2.023 20 0 CEADMP Cn1ccnc1C[NH2+][C@@H](Cc1nccn1C)c1ccccc1 ZINC000608073141 347560984 /nfs/dbraw/zinc/56/09/84/347560984.db2.gz NMBNAXHUHDNPHB-HNNXBMFYSA-N 2 1 295.390 2.227 20 0 CEADMP C/C(Cl)=C/C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000528389024 313249128 /nfs/dbraw/zinc/24/91/28/313249128.db2.gz KOKLRHUCOCIDKM-XCROGBHMSA-N 2 1 285.863 2.229 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000273310430 192107925 /nfs/dbraw/zinc/10/79/25/192107925.db2.gz WKQNSTQTQQPNSC-XYVMCAHJSA-N 2 1 290.451 2.298 20 0 CEADMP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000611323005 347766766 /nfs/dbraw/zinc/76/67/66/347766766.db2.gz IXBHIQSUDNXJEX-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP COC(=O)C(C)(C)[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000611323005 347766769 /nfs/dbraw/zinc/76/67/69/347766769.db2.gz IXBHIQSUDNXJEX-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP COC(=O)C(C)(C)[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000611323005 347766771 /nfs/dbraw/zinc/76/67/71/347766771.db2.gz IXBHIQSUDNXJEX-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP c1[nH]nc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc12 ZINC000334234259 539588273 /nfs/dbraw/zinc/58/82/73/539588273.db2.gz PQTATOXKDFYMNN-INIZCTEOSA-N 2 1 270.380 2.138 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc21 ZINC000334343118 539589743 /nfs/dbraw/zinc/58/97/43/539589743.db2.gz QRFMOHZMSBZDKI-QGZVFWFLSA-N 2 1 284.407 2.149 20 0 CEADMP c1ccc2c(c1)CC([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000130203085 365932818 /nfs/dbraw/zinc/93/28/18/365932818.db2.gz GYGFLJLDXUMKFU-DOTOQJQBSA-N 2 1 256.393 2.370 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334425578 539592526 /nfs/dbraw/zinc/59/25/26/539592526.db2.gz UUSGFEMWCROCHZ-MRXNPFEDSA-N 2 1 276.428 2.283 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334425578 539592529 /nfs/dbraw/zinc/59/25/29/539592529.db2.gz UUSGFEMWCROCHZ-MRXNPFEDSA-N 2 1 276.428 2.283 20 0 CEADMP CCc1nc(C[N@H+](C)CCCn2ccnc2)cs1 ZINC000130406081 365952837 /nfs/dbraw/zinc/95/28/37/365952837.db2.gz ALNJIUOHMOBQCJ-UHFFFAOYSA-N 2 1 264.398 2.424 20 0 CEADMP CCc1nc(C[N@@H+](C)CCCn2ccnc2)cs1 ZINC000130406081 365952840 /nfs/dbraw/zinc/95/28/40/365952840.db2.gz ALNJIUOHMOBQCJ-UHFFFAOYSA-N 2 1 264.398 2.424 20 0 CEADMP Cc1ccc(CCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000339407520 215151794 /nfs/dbraw/zinc/15/17/94/215151794.db2.gz OJCNGNNPXVYMFW-ULQDDVLXSA-N 2 1 273.424 2.382 20 0 CEADMP CCCc1csc(C[NH+]2CCC(OCCC[NH3+])CC2)n1 ZINC000339408274 215151841 /nfs/dbraw/zinc/15/18/41/215151841.db2.gz XGFRQNQIKRFFNP-UHFFFAOYSA-N 2 1 297.468 2.425 20 0 CEADMP CC[C@](C)(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000087013575 179379676 /nfs/dbraw/zinc/37/96/76/179379676.db2.gz UDKCYRZSGDTKII-SFHVURJKSA-N 2 1 290.451 2.444 20 0 CEADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000339427740 215162633 /nfs/dbraw/zinc/16/26/33/215162633.db2.gz ACVVJXSNDDJAIH-MRXNPFEDSA-N 2 1 276.424 2.447 20 0 CEADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000339427740 215162634 /nfs/dbraw/zinc/16/26/34/215162634.db2.gz ACVVJXSNDDJAIH-MRXNPFEDSA-N 2 1 276.424 2.447 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(F)c(F)cc2F)C1 ZINC000334847932 539610553 /nfs/dbraw/zinc/61/05/53/539610553.db2.gz YGQUNRGYKOUJMV-VHSXEESVSA-N 2 1 258.287 2.463 20 0 CEADMP Cc1nccn1CCC[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000532736541 313356825 /nfs/dbraw/zinc/35/68/25/313356825.db2.gz KPWQCKISAVPYTM-TXEJJXNPSA-N 2 1 253.415 2.407 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000532736541 313356830 /nfs/dbraw/zinc/35/68/30/313356830.db2.gz KPWQCKISAVPYTM-TXEJJXNPSA-N 2 1 253.415 2.407 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000532736541 313356835 /nfs/dbraw/zinc/35/68/35/313356835.db2.gz KPWQCKISAVPYTM-TXEJJXNPSA-N 2 1 253.415 2.407 20 0 CEADMP C[N@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)CC1(C)C ZINC000623345003 349994152 /nfs/dbraw/zinc/99/41/52/349994152.db2.gz MOZAUTCFKQZGFF-CQSZACIVSA-N 2 1 265.445 2.076 20 0 CEADMP Cc1n[nH]cc1CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623353561 349995558 /nfs/dbraw/zinc/99/55/58/349995558.db2.gz PXLFAIQHQDPEGW-AWEZNQCLSA-N 2 1 264.417 2.113 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000616996580 348602267 /nfs/dbraw/zinc/60/22/67/348602267.db2.gz KYELXUFCTYBGFL-ZNMIVQPWSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616996580 348602270 /nfs/dbraw/zinc/60/22/70/348602270.db2.gz KYELXUFCTYBGFL-ZNMIVQPWSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616996580 348602272 /nfs/dbraw/zinc/60/22/72/348602272.db2.gz KYELXUFCTYBGFL-ZNMIVQPWSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1 ZINC000617555999 348732198 /nfs/dbraw/zinc/73/21/98/348732198.db2.gz HOXBFELFBCMTDU-MRXNPFEDSA-N 2 1 297.487 2.441 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCCCC[NH+](C)C1CC1 ZINC000457167439 539661437 /nfs/dbraw/zinc/66/14/37/539661437.db2.gz MBCGSMRIDKCOPY-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1CCCC[NH+]1CCC(=O)NCCCC[N@H+](C)C1CC1 ZINC000457167439 539661441 /nfs/dbraw/zinc/66/14/41/539661441.db2.gz MBCGSMRIDKCOPY-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1CCCC[NH+]1CCC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457167439 539661446 /nfs/dbraw/zinc/66/14/46/539661446.db2.gz MBCGSMRIDKCOPY-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CCN(C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000617930300 348829170 /nfs/dbraw/zinc/82/91/70/348829170.db2.gz ZTDBRCIQVJJQPN-WCVJEAGWSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2C)C1 ZINC000339280304 539687581 /nfs/dbraw/zinc/68/75/81/539687581.db2.gz FSCBIZGILFFSGD-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400471818 233179456 /nfs/dbraw/zinc/17/94/56/233179456.db2.gz YFHUSAJFJOSVCU-VYDXJSESSA-N 2 1 275.440 2.237 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000402386062 233188598 /nfs/dbraw/zinc/18/85/98/233188598.db2.gz QBPPFFRBJYPHBS-KBUPBQIOSA-N 2 1 254.418 2.121 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250479831 539743492 /nfs/dbraw/zinc/74/34/92/539743492.db2.gz VTUZHYAILJBJNH-LJISPDSOSA-N 2 1 252.402 2.160 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250479834 539743507 /nfs/dbraw/zinc/74/35/07/539743507.db2.gz VTUZHYAILJBJNH-ZQDZILKHSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H]2c3ccccc3C[C@H]2O)CC1(C)C ZINC000623395822 350008507 /nfs/dbraw/zinc/00/85/07/350008507.db2.gz BGMRJYXPVIYTMT-IMJJTQAJSA-N 2 1 274.408 2.107 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2c3ccccc3C[C@H]2O)CC1(C)C ZINC000623395822 350008512 /nfs/dbraw/zinc/00/85/12/350008512.db2.gz BGMRJYXPVIYTMT-IMJJTQAJSA-N 2 1 274.408 2.107 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)N1CCCC[C@H]1C ZINC000623395421 350008844 /nfs/dbraw/zinc/00/88/44/350008844.db2.gz KDNRVCKGTZFBGH-QLFBSQMISA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)N1CCCC[C@H]1C ZINC000623395421 350008848 /nfs/dbraw/zinc/00/88/48/350008848.db2.gz KDNRVCKGTZFBGH-QLFBSQMISA-N 2 1 295.471 2.238 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)CC1(C)C ZINC000623398235 350009133 /nfs/dbraw/zinc/00/91/33/350009133.db2.gz ADZBVHAVYCHJEJ-LSDHHAIUSA-N 2 1 268.445 2.390 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000623402978 350010905 /nfs/dbraw/zinc/01/09/05/350010905.db2.gz FGXUDJKFJZEQRZ-LLVKDONJSA-N 2 1 253.415 2.414 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)s1 ZINC000623402978 350010906 /nfs/dbraw/zinc/01/09/06/350010906.db2.gz FGXUDJKFJZEQRZ-LLVKDONJSA-N 2 1 253.415 2.414 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1C1CC1 ZINC000623412337 350012865 /nfs/dbraw/zinc/01/28/65/350012865.db2.gz DSCCYHBLJYYMQQ-HJWJTTGWSA-N 2 1 280.456 2.248 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)N1CCCC1 ZINC000623419634 350015772 /nfs/dbraw/zinc/01/57/72/350015772.db2.gz QUMUNRWFJXOFAY-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCCCO1 ZINC000623486865 350032322 /nfs/dbraw/zinc/03/23/22/350032322.db2.gz LKWRAGMFTVSZKG-MJBXVCDLSA-N 2 1 254.418 2.406 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1(C)C ZINC000623429254 350018433 /nfs/dbraw/zinc/01/84/33/350018433.db2.gz UVUNJPHVUXRDMB-FQUUOJAGSA-N 2 1 266.429 2.262 20 0 CEADMP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623436968 350020269 /nfs/dbraw/zinc/02/02/69/350020269.db2.gz LTLGDDYTBIZSHM-BFHYXJOUSA-N 2 1 256.434 2.246 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC1(C)C ZINC000623443488 350021733 /nfs/dbraw/zinc/02/17/33/350021733.db2.gz BGMRJYXPVIYTMT-BPUTZDHNSA-N 2 1 274.408 2.107 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC1(C)C ZINC000623443488 350021737 /nfs/dbraw/zinc/02/17/37/350021737.db2.gz BGMRJYXPVIYTMT-BPUTZDHNSA-N 2 1 274.408 2.107 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623481248 350030844 /nfs/dbraw/zinc/03/08/44/350030844.db2.gz VXLOYYLXDSOPBM-MCIONIFRSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1cccc2ncc(CNC[C@@H]3CCCC[N@H+](C)C3)n21 ZINC000623656135 350076275 /nfs/dbraw/zinc/07/62/75/350076275.db2.gz NWECHRSAINLMAK-HNNXBMFYSA-N 2 1 286.423 2.464 20 0 CEADMP Cc1cccc2ncc(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)n21 ZINC000623656135 350076278 /nfs/dbraw/zinc/07/62/78/350076278.db2.gz NWECHRSAINLMAK-HNNXBMFYSA-N 2 1 286.423 2.464 20 0 CEADMP Cc1cccc2ncc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)n21 ZINC000623656135 350076282 /nfs/dbraw/zinc/07/62/82/350076282.db2.gz NWECHRSAINLMAK-HNNXBMFYSA-N 2 1 286.423 2.464 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cn1 ZINC000623657099 350076601 /nfs/dbraw/zinc/07/66/01/350076601.db2.gz JUBAYPYUWDBLPX-INIZCTEOSA-N 2 1 290.455 2.359 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623657099 350076604 /nfs/dbraw/zinc/07/66/04/350076604.db2.gz JUBAYPYUWDBLPX-INIZCTEOSA-N 2 1 290.455 2.359 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CCO1 ZINC000623657631 350076882 /nfs/dbraw/zinc/07/68/82/350076882.db2.gz VRXIVHLSXOMMGE-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000623657598 350077318 /nfs/dbraw/zinc/07/73/18/350077318.db2.gz VDMCBUIYAKKKSX-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000623657598 350077321 /nfs/dbraw/zinc/07/73/21/350077321.db2.gz VDMCBUIYAKKKSX-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP C[N@H+]1CC[C@@H](NC2CC([NH+]3CCCCC3)C2)CC1(C)C ZINC000623511624 350038339 /nfs/dbraw/zinc/03/83/39/350038339.db2.gz XRHWKMBTJXTINO-QQFBHYJXSA-N 2 1 279.472 2.466 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cnn3ccccc23)CC1(C)C ZINC000623521751 350040219 /nfs/dbraw/zinc/04/02/19/350040219.db2.gz FXWSOEBEIPRXSL-AWEZNQCLSA-N 2 1 272.396 2.297 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnn3ccccc23)CC1(C)C ZINC000623521751 350040221 /nfs/dbraw/zinc/04/02/21/350040221.db2.gz FXWSOEBEIPRXSL-AWEZNQCLSA-N 2 1 272.396 2.297 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)CC1(C)C ZINC000623530480 350042403 /nfs/dbraw/zinc/04/24/03/350042403.db2.gz ZUUNLGFVDBHCNY-NTZNESFSSA-N 2 1 294.361 2.295 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCCC1 ZINC000623534237 350043223 /nfs/dbraw/zinc/04/32/23/350043223.db2.gz FCJOWLVIRUSOEU-CYBMUJFWSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CC[C@@H](NCC[NH+]2CCCC2(C)C)CC1(C)C ZINC000623544133 350046056 /nfs/dbraw/zinc/04/60/56/350046056.db2.gz OJRCLVNGKBQQBG-CQSZACIVSA-N 2 1 267.461 2.323 20 0 CEADMP C[NH+]1CC[C@@H](NCC[N@@H+]2CCCC2(C)C)CC1(C)C ZINC000623544133 350046059 /nfs/dbraw/zinc/04/60/59/350046059.db2.gz OJRCLVNGKBQQBG-CQSZACIVSA-N 2 1 267.461 2.323 20 0 CEADMP C[NH+]1CC[C@@H](NCC[N@H+]2CCCC2(C)C)CC1(C)C ZINC000623544133 350046062 /nfs/dbraw/zinc/04/60/62/350046062.db2.gz OJRCLVNGKBQQBG-CQSZACIVSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)O1 ZINC000623550232 350047986 /nfs/dbraw/zinc/04/79/86/350047986.db2.gz GGCWLMWWPVIIHT-AAVRWANBSA-N 2 1 254.418 2.262 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C2(O)CCOCC2)CC1(C)C ZINC000623552618 350048481 /nfs/dbraw/zinc/04/84/81/350048481.db2.gz NJMCQYBBRBRKQS-CQSZACIVSA-N 2 1 298.471 2.017 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCOC2)CC1(C)C ZINC000623591000 350059983 /nfs/dbraw/zinc/05/99/83/350059983.db2.gz SEZFKSUDXHEKOK-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN2CC(F)F)CC1(C)C ZINC000623624308 350068526 /nfs/dbraw/zinc/06/85/26/350068526.db2.gz BGQYUHOAQCBGSA-STQMWFEESA-N 2 1 289.414 2.178 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNC2CC[NH+](CCC)CC2)C1 ZINC000151094258 539751862 /nfs/dbraw/zinc/75/18/62/539751862.db2.gz LRFUPVRKBHXCBN-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](CCC)CC2)C1 ZINC000151094258 539751869 /nfs/dbraw/zinc/75/18/69/539751869.db2.gz LRFUPVRKBHXCBN-HNNXBMFYSA-N 3 1 267.461 2.182 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](CCC)CC2)C1 ZINC000151094258 539751872 /nfs/dbraw/zinc/75/18/72/539751872.db2.gz LRFUPVRKBHXCBN-HNNXBMFYSA-N 3 1 267.461 2.182 20 0 CEADMP COCc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000090720321 180030181 /nfs/dbraw/zinc/03/01/81/180030181.db2.gz DWELDIRVERAANM-BBRMVZONSA-N 2 1 262.397 2.405 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000623871962 350131381 /nfs/dbraw/zinc/13/13/81/350131381.db2.gz QJFNUQITXPUQPX-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(C)ccc1C ZINC000623960866 350156224 /nfs/dbraw/zinc/15/62/24/350156224.db2.gz KDBSSSLPOMIRIN-IAGOWNOFSA-N 2 1 276.424 2.411 20 0 CEADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(C)ccc1C ZINC000623960866 350156226 /nfs/dbraw/zinc/15/62/26/350156226.db2.gz KDBSSSLPOMIRIN-IAGOWNOFSA-N 2 1 276.424 2.411 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC000341119424 539773594 /nfs/dbraw/zinc/77/35/94/539773594.db2.gz LMYTUNOWALTFGE-GFCCVEGCSA-N 2 1 250.390 2.048 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC000341119424 539773599 /nfs/dbraw/zinc/77/35/99/539773599.db2.gz LMYTUNOWALTFGE-GFCCVEGCSA-N 2 1 250.390 2.048 20 0 CEADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CCCC12CC2 ZINC000624316619 350259123 /nfs/dbraw/zinc/25/91/23/350259123.db2.gz RXTQSMJTRTZSMM-ZBFHGGJFSA-N 2 1 278.440 2.410 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000222943055 539790447 /nfs/dbraw/zinc/79/04/47/539790447.db2.gz DYNPMFZXXZASLS-BRWVUGGUSA-N 2 1 273.424 2.120 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000222943055 539790452 /nfs/dbraw/zinc/79/04/52/539790452.db2.gz DYNPMFZXXZASLS-BRWVUGGUSA-N 2 1 273.424 2.120 20 0 CEADMP C[N@@H+](CCCOCC(F)(F)F)C1CCC([NH3+])CC1 ZINC000091847811 180271413 /nfs/dbraw/zinc/27/14/13/180271413.db2.gz QJSYSILSGAMYSY-UHFFFAOYSA-N 2 1 268.323 2.157 20 0 CEADMP O=C(CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1ccccc1 ZINC000166598672 539794175 /nfs/dbraw/zinc/79/41/75/539794175.db2.gz WEAHTSSTWBMRAS-JKSUJKDBSA-N 2 1 287.407 2.232 20 0 CEADMP CC(C)[C@@]1(CO)CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000339710264 215311044 /nfs/dbraw/zinc/31/10/44/215311044.db2.gz IBEKSSUXHYAWLE-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)[C@@]1(CO)CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000339710264 215311045 /nfs/dbraw/zinc/31/10/45/215311045.db2.gz IBEKSSUXHYAWLE-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)[C@@]1(CO)CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000339710264 215311049 /nfs/dbraw/zinc/31/10/49/215311049.db2.gz IBEKSSUXHYAWLE-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CCO[C@H](C[N@H+](C)CCCn1cc[nH+]c1C)C1CC1 ZINC000625266089 350446793 /nfs/dbraw/zinc/44/67/93/350446793.db2.gz PFHNXBMPEJWBJW-OAHLLOKOSA-N 2 1 265.401 2.329 20 0 CEADMP CCO[C@H](C[N@@H+](C)CCCn1cc[nH+]c1C)C1CC1 ZINC000625266089 350446797 /nfs/dbraw/zinc/44/67/97/350446797.db2.gz PFHNXBMPEJWBJW-OAHLLOKOSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](CO)CC1 ZINC000339745957 215323667 /nfs/dbraw/zinc/32/36/67/215323667.db2.gz JZWDWLSAYQPXMZ-HNNXBMFYSA-N 2 1 265.401 2.066 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](CO)CC1 ZINC000339745957 215323669 /nfs/dbraw/zinc/32/36/69/215323669.db2.gz JZWDWLSAYQPXMZ-HNNXBMFYSA-N 2 1 265.401 2.066 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C)c3)C2)CC1 ZINC000107368396 186171331 /nfs/dbraw/zinc/17/13/31/186171331.db2.gz BDSBZMBNFVLHER-SFHVURJKSA-N 2 1 287.451 2.207 20 0 CEADMP C[C@@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1C ZINC000251744569 539801278 /nfs/dbraw/zinc/80/12/78/539801278.db2.gz CXXSUSQJFOORFA-FVPDABNVSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1C ZINC000251744569 539801282 /nfs/dbraw/zinc/80/12/82/539801282.db2.gz CXXSUSQJFOORFA-FVPDABNVSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1C ZINC000251744577 539801406 /nfs/dbraw/zinc/80/14/06/539801406.db2.gz CXXSUSQJFOORFA-YZDRTPDPSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1C ZINC000251744577 539801412 /nfs/dbraw/zinc/80/14/12/539801412.db2.gz CXXSUSQJFOORFA-YZDRTPDPSA-N 2 1 265.445 2.074 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000628747195 351178573 /nfs/dbraw/zinc/17/85/73/351178573.db2.gz AGRSXAGRVNVBRY-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2ccncc2Br)CC1 ZINC000629509193 351381756 /nfs/dbraw/zinc/38/17/56/351381756.db2.gz JDIKWJMRMYNEPO-UHFFFAOYSA-N 2 1 284.201 2.015 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(O)ccc1Cl ZINC000629516714 351385044 /nfs/dbraw/zinc/38/50/44/351385044.db2.gz NGOBNTMZCMPAON-NXEZZACHSA-N 2 1 254.761 2.215 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(O)ccc1Cl ZINC000629516714 351385048 /nfs/dbraw/zinc/38/50/48/351385048.db2.gz NGOBNTMZCMPAON-NXEZZACHSA-N 2 1 254.761 2.215 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(F)c(F)c1 ZINC000629523624 351389291 /nfs/dbraw/zinc/38/92/91/351389291.db2.gz IZGUHBHKZRCHDG-SNVBAGLBSA-N 2 1 270.323 2.123 20 0 CEADMP Cc1ccc(C(C)(C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)nc1 ZINC000629524314 351390585 /nfs/dbraw/zinc/39/05/85/351390585.db2.gz RFCVZKLIZDJWHZ-ZIAGYGMSSA-N 2 1 261.413 2.398 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000629527432 351391602 /nfs/dbraw/zinc/39/16/02/351391602.db2.gz VPHVLWKRXSOMPH-CRWXNKLISA-N 2 1 254.418 2.309 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000629387876 351345771 /nfs/dbraw/zinc/34/57/71/351345771.db2.gz HFWZGUWQIVNERD-VHDGCEQUSA-N 2 1 260.381 2.283 20 0 CEADMP CCC(F)(F)C(C)(C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000629597432 351427723 /nfs/dbraw/zinc/42/77/23/351427723.db2.gz KFPUFFQBDLULBK-LBPRGKRZSA-N 2 1 278.387 2.103 20 0 CEADMP CCC(F)(F)C(C)(C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000629597432 351427726 /nfs/dbraw/zinc/42/77/26/351427726.db2.gz KFPUFFQBDLULBK-LBPRGKRZSA-N 2 1 278.387 2.103 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@H]1CCCC1(C)C)C1CC1 ZINC000629600623 351428566 /nfs/dbraw/zinc/42/85/66/351428566.db2.gz QADHYYJPOKVVKT-UKRRQHHQSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@H]1CCCC1(C)C)C1CC1 ZINC000629600623 351428572 /nfs/dbraw/zinc/42/85/72/351428572.db2.gz QADHYYJPOKVVKT-UKRRQHHQSA-N 2 1 268.445 2.248 20 0 CEADMP CC1([NH2+]CC2=Cc3ccccc3OC2)CC[NH2+]CC1 ZINC000629649603 351448340 /nfs/dbraw/zinc/44/83/40/351448340.db2.gz WRRPUKHMJRMBCR-UHFFFAOYSA-N 2 1 258.365 2.194 20 0 CEADMP COC1(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CCCC1 ZINC000629650710 351448441 /nfs/dbraw/zinc/44/84/41/351448441.db2.gz ZZAURAOTWPANCO-ARFHVFGLSA-N 2 1 296.455 2.164 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000629547698 351407038 /nfs/dbraw/zinc/40/70/38/351407038.db2.gz FUZHIRIKWUHFSU-XJKSGUPXSA-N 2 1 298.377 2.115 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000629547698 351407042 /nfs/dbraw/zinc/40/70/42/351407042.db2.gz FUZHIRIKWUHFSU-XJKSGUPXSA-N 2 1 298.377 2.115 20 0 CEADMP C[N@@H+](CCCc1ccc(Cl)cc1)CCOCC[NH3+] ZINC000629579049 351421211 /nfs/dbraw/zinc/42/12/11/351421211.db2.gz PDXIGORFLRZNGX-UHFFFAOYSA-N 2 1 270.804 2.180 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@H](C)C1CCCCC1 ZINC000629581042 351421775 /nfs/dbraw/zinc/42/17/75/351421775.db2.gz KNUAQOMZEBZAOL-DZGCQCFKSA-N 2 1 256.434 2.105 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000070170447 363043209 /nfs/dbraw/zinc/04/32/09/363043209.db2.gz JHFTZDHXADQALA-CYBMUJFWSA-N 2 1 266.360 2.265 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000070170874 363044073 /nfs/dbraw/zinc/04/40/73/363044073.db2.gz IFDQAEGAIYZWHG-CYBMUJFWSA-N 2 1 286.379 2.297 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000070170874 363044075 /nfs/dbraw/zinc/04/40/75/363044075.db2.gz IFDQAEGAIYZWHG-CYBMUJFWSA-N 2 1 286.379 2.297 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(OC)c1 ZINC000070171549 363044842 /nfs/dbraw/zinc/04/48/42/363044842.db2.gz RUXYEOXKFYSIEQ-STQMWFEESA-N 2 1 278.396 2.263 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(OC)c1 ZINC000070171549 363044848 /nfs/dbraw/zinc/04/48/48/363044848.db2.gz RUXYEOXKFYSIEQ-STQMWFEESA-N 2 1 278.396 2.263 20 0 CEADMP COc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c(OC)c1 ZINC000070148476 363036359 /nfs/dbraw/zinc/03/63/59/363036359.db2.gz JUGQVCZZXQILEP-AWEZNQCLSA-N 2 1 278.396 2.407 20 0 CEADMP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c(OC)c1 ZINC000070148476 363036362 /nfs/dbraw/zinc/03/63/62/363036362.db2.gz JUGQVCZZXQILEP-AWEZNQCLSA-N 2 1 278.396 2.407 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH+](C)C2CCC2)C1 ZINC000629951441 351550540 /nfs/dbraw/zinc/55/05/40/351550540.db2.gz GTJVSDBCGQWFEP-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC000629951441 351550543 /nfs/dbraw/zinc/55/05/43/351550543.db2.gz GTJVSDBCGQWFEP-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC000629951441 351550544 /nfs/dbraw/zinc/55/05/44/351550544.db2.gz GTJVSDBCGQWFEP-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1nc2cc(NC(=O)C[N@@H+](C)C3CCC3)ccc2n1C ZINC000629967485 351560033 /nfs/dbraw/zinc/56/00/33/351560033.db2.gz OCFJVANJFFSJIA-UHFFFAOYSA-N 2 1 286.379 2.305 20 0 CEADMP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)([NH+](C)C)C1 ZINC000131252414 366035623 /nfs/dbraw/zinc/03/56/23/366035623.db2.gz ATKGFTDXIMCIKK-TWMKSMIVSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)CC[N@@H+]1C ZINC000131364647 366046320 /nfs/dbraw/zinc/04/63/20/366046320.db2.gz OIWGRWMIYWFXIK-GDBMZVCRSA-N 2 1 288.439 2.254 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)CC[N@H+]1C ZINC000131364647 366046325 /nfs/dbraw/zinc/04/63/25/366046325.db2.gz OIWGRWMIYWFXIK-GDBMZVCRSA-N 2 1 288.439 2.254 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccnn2C(C)C)C1 ZINC000337189357 366062923 /nfs/dbraw/zinc/06/29/23/366062923.db2.gz RENVAWMAINKCEL-AWEZNQCLSA-N 2 1 264.417 2.238 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)F)cc1 ZINC000131680646 366077680 /nfs/dbraw/zinc/07/76/80/366077680.db2.gz QLMNEYRAAJEJOK-ZYHUDNBSSA-N 2 1 270.323 2.457 20 0 CEADMP CC(C)C[C@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000678350407 539824080 /nfs/dbraw/zinc/82/40/80/539824080.db2.gz WHRXORGAFXICMJ-HOTGVXAUSA-N 2 1 267.461 2.133 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1CC(F)(F)C1 ZINC000291776920 198088486 /nfs/dbraw/zinc/08/84/86/198088486.db2.gz UKTAKEDOAIWYTD-UHFFFAOYSA-N 2 1 255.312 2.283 20 0 CEADMP Cc1nnc([C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)o1 ZINC000123630634 187101792 /nfs/dbraw/zinc/10/17/92/187101792.db2.gz MEVPWTWGPXQEHT-LBPRGKRZSA-N 2 1 280.416 2.493 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631057385 351942555 /nfs/dbraw/zinc/94/25/55/351942555.db2.gz WXIOSMGYSSELDC-UHFFFAOYSA-N 2 1 266.295 2.314 20 0 CEADMP COC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195053 352010223 /nfs/dbraw/zinc/01/02/23/352010223.db2.gz AOSRSWJLKXBXJP-VYDXJSESSA-N 2 1 276.424 2.379 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1ccc(Br)s1 ZINC000070600537 363100916 /nfs/dbraw/zinc/10/09/16/363100916.db2.gz XTLRGLSBQAXMKB-UHFFFAOYSA-N 2 1 263.204 2.210 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CC[NH2+]CC2)C1 ZINC000236938027 370660322 /nfs/dbraw/zinc/66/03/22/370660322.db2.gz AFTGWQNDZNHHBM-CQSZACIVSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000152286235 188007214 /nfs/dbraw/zinc/00/72/14/188007214.db2.gz MQPJKHCFFMPWIO-BZUAXINKSA-N 2 1 273.424 2.338 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3)C2)CC[N@H+]1C ZINC000152286235 188007215 /nfs/dbraw/zinc/00/72/15/188007215.db2.gz MQPJKHCFFMPWIO-BZUAXINKSA-N 2 1 273.424 2.338 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1OC ZINC000153751856 188102048 /nfs/dbraw/zinc/10/20/48/188102048.db2.gz NTHIIWKYABNEDM-AWEZNQCLSA-N 2 1 280.412 2.314 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1OC ZINC000153751856 188102050 /nfs/dbraw/zinc/10/20/50/188102050.db2.gz NTHIIWKYABNEDM-AWEZNQCLSA-N 2 1 280.412 2.314 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOCc3ccccc3)C[C@H]21 ZINC000309859683 539978797 /nfs/dbraw/zinc/97/87/97/539978797.db2.gz CXMGHXGOVOGFHE-GVDBMIGSSA-N 2 1 274.408 2.262 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2)[C@H](C)C1 ZINC000155243022 188193321 /nfs/dbraw/zinc/19/33/21/188193321.db2.gz QDIDULVWCOEHIP-ZBFHGGJFSA-N 2 1 262.397 2.385 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)CC[N@@H+]1C ZINC000156224289 188250919 /nfs/dbraw/zinc/25/09/19/188250919.db2.gz OTXXCSXYULVPBR-UKRRQHHQSA-N 2 1 290.407 2.420 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)CC[N@H+]1C ZINC000156224289 188250920 /nfs/dbraw/zinc/25/09/20/188250920.db2.gz OTXXCSXYULVPBR-UKRRQHHQSA-N 2 1 290.407 2.420 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000073555649 363229347 /nfs/dbraw/zinc/22/93/47/363229347.db2.gz RKGXUMHMWQKETK-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](C)[N@H+](CCCCn1cc[nH+]c1C)CC(=O)OC ZINC000337227896 366091262 /nfs/dbraw/zinc/09/12/62/366091262.db2.gz GSVUZGGNKHXBBG-CYBMUJFWSA-N 2 1 281.400 2.245 20 0 CEADMP CC[C@@H](C)[N@@H+](CCCCn1cc[nH+]c1C)CC(=O)OC ZINC000337227896 366091265 /nfs/dbraw/zinc/09/12/65/366091265.db2.gz GSVUZGGNKHXBBG-CYBMUJFWSA-N 2 1 281.400 2.245 20 0 CEADMP COC[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000131911090 366100280 /nfs/dbraw/zinc/10/02/80/366100280.db2.gz NZBYJNARUIKOCH-AWEZNQCLSA-N 2 1 294.414 2.457 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000494921944 291005091 /nfs/dbraw/zinc/00/50/91/291005091.db2.gz JZNQXVKVULNTBJ-BZUAXINKSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C)C[C@H]2C)CC1 ZINC000337257656 366110674 /nfs/dbraw/zinc/11/06/74/366110674.db2.gz UJPDGICJWWBBIG-HZPDHXFCSA-N 2 1 267.461 2.133 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000132055037 366114407 /nfs/dbraw/zinc/11/44/07/366114407.db2.gz FXFWVMZQWYOZRD-ZBFHGGJFSA-N 2 1 261.413 2.418 20 0 CEADMP COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132128608 366119761 /nfs/dbraw/zinc/11/97/61/366119761.db2.gz XDWMXHYMMSRKEK-VXGBXAGGSA-N 2 1 266.360 2.485 20 0 CEADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000293275786 198584435 /nfs/dbraw/zinc/58/44/35/198584435.db2.gz NUBCQJUBEWJNKR-QGZVFWFLSA-N 2 1 276.424 2.356 20 0 CEADMP CCO[C@@H]1CC[N@@H+](CCC[NH+](CC)CC)C[C@H]1C ZINC000451544681 283028041 /nfs/dbraw/zinc/02/80/41/283028041.db2.gz QFIMTGIZXDOQOO-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1ccc(Br)c(F)c1 ZINC000133213649 366204732 /nfs/dbraw/zinc/20/47/32/366204732.db2.gz USNUSHXSPAWJHB-UHFFFAOYSA-N 2 1 275.165 2.369 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1ccc(Br)c(F)c1 ZINC000133213649 366204739 /nfs/dbraw/zinc/20/47/39/366204739.db2.gz USNUSHXSPAWJHB-UHFFFAOYSA-N 2 1 275.165 2.369 20 0 CEADMP CC(C)[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@@H](CO)C(C)C ZINC000451601705 283047137 /nfs/dbraw/zinc/04/71/37/283047137.db2.gz UXRQXILRSLTZFH-HRCADAONSA-N 2 1 270.461 2.349 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(O)cc2)CC1 ZINC000679393650 540064790 /nfs/dbraw/zinc/06/47/90/540064790.db2.gz CTBOZFFHXDNHQY-UHFFFAOYSA-N 2 1 292.423 2.371 20 0 CEADMP CC[NH+]1C[C@H](C)N(C(=O)CC[N@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000516784969 540112015 /nfs/dbraw/zinc/11/20/15/540112015.db2.gz SJGMIQYJXZXFGE-PMPSAXMXSA-N 2 1 295.471 2.192 20 0 CEADMP COc1ccnc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1OC ZINC000404380743 540121483 /nfs/dbraw/zinc/12/14/83/540121483.db2.gz MDYUKYQLUJZPQX-TZMCWYRMSA-N 2 1 293.411 2.048 20 0 CEADMP COc1ccnc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1OC ZINC000404380743 540121486 /nfs/dbraw/zinc/12/14/86/540121486.db2.gz MDYUKYQLUJZPQX-TZMCWYRMSA-N 2 1 293.411 2.048 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc([S@](C)=O)cc1 ZINC000271874048 191382025 /nfs/dbraw/zinc/38/20/25/191382025.db2.gz NKXRSSOFPHXBGQ-XCLFUZPHSA-N 2 1 292.448 2.337 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000271874045 191382898 /nfs/dbraw/zinc/38/28/98/191382898.db2.gz NKXRSSOFPHXBGQ-RNODOKPDSA-N 2 1 292.448 2.337 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000271876018 191384918 /nfs/dbraw/zinc/38/49/18/191384918.db2.gz ZFDBEPXFSHOTNL-UHFFFAOYSA-N 2 1 282.391 2.428 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000380864623 540136647 /nfs/dbraw/zinc/13/66/47/540136647.db2.gz FXCNUPQWRISLQF-BBWFWOEESA-N 2 1 274.408 2.435 20 0 CEADMP CC(C)C1CCC(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000569961742 299229408 /nfs/dbraw/zinc/22/94/08/299229408.db2.gz HNGVAITWXLSEBZ-DQPZFDDXSA-N 2 1 282.472 2.494 20 0 CEADMP CC(C)C1CCC(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000569961742 299229409 /nfs/dbraw/zinc/22/94/09/299229409.db2.gz HNGVAITWXLSEBZ-DQPZFDDXSA-N 2 1 282.472 2.494 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)CN(C)Cc1ccc(Cl)cc1 ZINC000382069547 540146403 /nfs/dbraw/zinc/14/64/03/540146403.db2.gz ZJYXSDXSHLFLPA-OAHLLOKOSA-N 2 1 284.831 2.473 20 0 CEADMP C(C[NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1)C[NH+]1CCC1 ZINC000569988092 299232405 /nfs/dbraw/zinc/23/24/05/299232405.db2.gz JLJOCNWQBUXZHS-XHSDSOJGSA-N 2 1 266.429 2.267 20 0 CEADMP O[C@@H]([C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1)C(F)(F)F ZINC000451891226 283135985 /nfs/dbraw/zinc/13/59/85/283135985.db2.gz OBHPKAPSEFDJGO-OLZOCXBDSA-N 2 1 294.361 2.108 20 0 CEADMP O[C@@H]([C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1)C(F)(F)F ZINC000451891226 283135988 /nfs/dbraw/zinc/13/59/88/283135988.db2.gz OBHPKAPSEFDJGO-OLZOCXBDSA-N 2 1 294.361 2.108 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000414065204 540235857 /nfs/dbraw/zinc/23/58/57/540235857.db2.gz FQEKFYKWVSICCG-ZIAGYGMSSA-N 2 1 279.428 2.341 20 0 CEADMP c1nc(C2CC2)c(C[NH2+]CC[C@H]2CCC[NH2+]2)s1 ZINC000414912037 540247287 /nfs/dbraw/zinc/24/72/87/540247287.db2.gz XOELWDJTVMGLID-LLVKDONJSA-N 2 1 251.399 2.252 20 0 CEADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)nc1 ZINC000075836663 363491901 /nfs/dbraw/zinc/49/19/01/363491901.db2.gz LSWTXCWDVBAZTE-INIZCTEOSA-N 2 1 273.424 2.432 20 0 CEADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)nc1 ZINC000075836663 363491902 /nfs/dbraw/zinc/49/19/02/363491902.db2.gz LSWTXCWDVBAZTE-INIZCTEOSA-N 2 1 273.424 2.432 20 0 CEADMP COCC[C@@H]([NH2+]CCn1cc[nH+]c1C)C(C)(C)C ZINC000338363584 366319171 /nfs/dbraw/zinc/31/91/71/366319171.db2.gz XEWXSKVTIJKZGV-CYBMUJFWSA-N 2 1 253.390 2.232 20 0 CEADMP Cc1cnc(C)nc1NCC[N@H+]1CCCC(C)(C)C1 ZINC000575816601 366363391 /nfs/dbraw/zinc/36/33/91/366363391.db2.gz TUEZOIUDEDBGTA-UHFFFAOYSA-N 2 1 262.401 2.049 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)CCO1 ZINC000575907374 366372441 /nfs/dbraw/zinc/37/24/41/366372441.db2.gz CSJXOIIXJDTMAY-ZJIFWQFVSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)CCO1 ZINC000575907374 366372448 /nfs/dbraw/zinc/37/24/48/366372448.db2.gz CSJXOIIXJDTMAY-ZJIFWQFVSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CCO1 ZINC000575907374 366372454 /nfs/dbraw/zinc/37/24/54/366372454.db2.gz CSJXOIIXJDTMAY-ZJIFWQFVSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CCO1 ZINC000575907374 366372458 /nfs/dbraw/zinc/37/24/58/366372458.db2.gz CSJXOIIXJDTMAY-ZJIFWQFVSA-N 2 1 268.445 2.464 20 0 CEADMP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000376957466 283222783 /nfs/dbraw/zinc/22/27/83/283222783.db2.gz KHRBVVAYHOUHTQ-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC000347900464 283223212 /nfs/dbraw/zinc/22/32/12/283223212.db2.gz HLMMDYJOBKYZDN-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093417772 538771782 /nfs/dbraw/zinc/77/17/82/538771782.db2.gz GEFMBONFZDRTEC-CABCVRRESA-N 2 1 292.423 2.236 20 0 CEADMP C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093417772 538771790 /nfs/dbraw/zinc/77/17/90/538771790.db2.gz GEFMBONFZDRTEC-CABCVRRESA-N 2 1 292.423 2.236 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC1(C)CCC1 ZINC000432777378 538895748 /nfs/dbraw/zinc/89/57/48/538895748.db2.gz UQEAXHFSXUZMIR-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP COC(=O)CCC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000577708969 366384000 /nfs/dbraw/zinc/38/40/00/366384000.db2.gz NYKKDACIJXZFPM-CQSZACIVSA-N 2 1 270.417 2.025 20 0 CEADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)C(C)(C)C ZINC000670267784 540261512 /nfs/dbraw/zinc/26/15/12/540261512.db2.gz UEYHWVYCXADWJG-GJZGRUSLSA-N 2 1 270.461 2.495 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000389472554 540357976 /nfs/dbraw/zinc/35/79/76/540357976.db2.gz VFUXTEOZGOUBTC-MWDXBVQZSA-N 2 1 279.472 2.371 20 0 CEADMP CCCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000389472554 540357979 /nfs/dbraw/zinc/35/79/79/540357979.db2.gz VFUXTEOZGOUBTC-MWDXBVQZSA-N 2 1 279.472 2.371 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000389780242 540364048 /nfs/dbraw/zinc/36/40/48/540364048.db2.gz YVVYZVPOXZAKQO-HZPDHXFCSA-N 2 1 289.423 2.067 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H](C)O1 ZINC000414519380 236396545 /nfs/dbraw/zinc/39/65/45/236396545.db2.gz UGFAUWPHEUQZEU-UTUOFQBUSA-N 2 1 283.441 2.108 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)OC ZINC000294757933 199169003 /nfs/dbraw/zinc/16/90/03/199169003.db2.gz IVJRLRLBIUHFKQ-SWLSCSKDSA-N 2 1 265.401 2.298 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000121405213 283352612 /nfs/dbraw/zinc/35/26/12/283352612.db2.gz IESDOARSPFNNMU-QXSJWSMHSA-N 2 1 278.440 2.266 20 0 CEADMP CO[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Cc1ccccc1 ZINC000294803759 199190306 /nfs/dbraw/zinc/19/03/06/199190306.db2.gz NCNRVRMULWYNLA-KRWDZBQOSA-N 2 1 299.418 2.495 20 0 CEADMP C[C@@H]1CCC[C@](C[NH2+]CC2(C)COC2)([NH+](C)C)C1 ZINC000079473956 363605607 /nfs/dbraw/zinc/60/56/07/363605607.db2.gz HMFALXIGRLEXRP-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOc1ccc(F)cc1 ZINC000135353235 366431863 /nfs/dbraw/zinc/43/18/63/366431863.db2.gz RXNYASOAUBWSTC-OLZOCXBDSA-N 2 1 266.360 2.264 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000578187314 366455099 /nfs/dbraw/zinc/45/50/99/366455099.db2.gz XWRUCHUWIUYSME-RMRHIDDWSA-N 2 1 282.453 2.490 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000578187314 366455102 /nfs/dbraw/zinc/45/51/02/366455102.db2.gz XWRUCHUWIUYSME-RMRHIDDWSA-N 2 1 282.453 2.490 20 0 CEADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cn(-c2ccccc2)nn1 ZINC000570827079 299280493 /nfs/dbraw/zinc/28/04/93/299280493.db2.gz OKJTVTVHGCSPMD-MJBXVCDLSA-N 2 1 285.395 2.188 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)c2ccccc21 ZINC000570832383 299280624 /nfs/dbraw/zinc/28/06/24/299280624.db2.gz PTBSZINZNKVQRD-HONMWMINSA-N 2 1 299.340 2.357 20 0 CEADMP CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000360954217 283382540 /nfs/dbraw/zinc/38/25/40/283382540.db2.gz FTMVHUMXSTUKBD-ARFHVFGLSA-N 2 1 297.487 2.391 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C12CCCCC2 ZINC000578334190 366479331 /nfs/dbraw/zinc/47/93/31/366479331.db2.gz CHPOVMMRPWPXRC-HRCADAONSA-N 2 1 298.471 2.017 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000310934407 540449486 /nfs/dbraw/zinc/44/94/86/540449486.db2.gz FTVZWRDENBQQBD-DZGCQCFKSA-N 2 1 250.386 2.038 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000310934407 540449491 /nfs/dbraw/zinc/44/94/91/540449491.db2.gz FTVZWRDENBQQBD-DZGCQCFKSA-N 2 1 250.386 2.038 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)c1ccc(F)cc1)C1CC1 ZINC000571158065 299296518 /nfs/dbraw/zinc/29/65/18/299296518.db2.gz UBMGKQYHOVJJPS-INIZCTEOSA-N 2 1 294.414 2.148 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)c1ccc(F)cc1)C1CC1 ZINC000571158065 299296522 /nfs/dbraw/zinc/29/65/22/299296522.db2.gz UBMGKQYHOVJJPS-INIZCTEOSA-N 2 1 294.414 2.148 20 0 CEADMP Fc1ccccc1CC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000137610913 366545908 /nfs/dbraw/zinc/54/59/08/366545908.db2.gz OQHDGWYMZVEZKM-OAHLLOKOSA-N 2 1 292.398 2.022 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000578903304 366565976 /nfs/dbraw/zinc/56/59/76/366565976.db2.gz CUEBOXVCSISSDK-DOTOQJQBSA-N 2 1 294.414 2.487 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000578903304 366565982 /nfs/dbraw/zinc/56/59/82/366565982.db2.gz CUEBOXVCSISSDK-DOTOQJQBSA-N 2 1 294.414 2.487 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)o1 ZINC000297581028 200233575 /nfs/dbraw/zinc/23/35/75/200233575.db2.gz RZIMETPKKNVPPE-UHFFFAOYSA-N 2 1 299.330 2.394 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000339011618 366613168 /nfs/dbraw/zinc/61/31/68/366613168.db2.gz QOODCVUXJIVKQC-KRWDZBQOSA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000339011618 366613175 /nfs/dbraw/zinc/61/31/75/366613175.db2.gz QOODCVUXJIVKQC-KRWDZBQOSA-N 2 1 294.414 2.145 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc([S@](C)=O)cc1 ZINC000151939819 366677280 /nfs/dbraw/zinc/67/72/80/366677280.db2.gz BJTYNQPKPDFBBU-KZULUSFZSA-N 2 1 268.426 2.026 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cccc(N2CCCC2=O)c1 ZINC000151935014 366678011 /nfs/dbraw/zinc/67/80/11/366678011.db2.gz SIKFDKNPCFFKAI-AWEZNQCLSA-N 2 1 289.423 2.416 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000341902025 216145596 /nfs/dbraw/zinc/14/55/96/216145596.db2.gz HJQPIMDUERFFBG-LXTVHRRPSA-N 2 1 252.402 2.018 20 0 CEADMP CCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000236966668 370667805 /nfs/dbraw/zinc/66/78/05/370667805.db2.gz SOPDGDUQIVQNSR-MRXNPFEDSA-N 2 1 291.439 2.270 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000178320612 189106760 /nfs/dbraw/zinc/10/67/60/189106760.db2.gz QRFBOGSNCLNAED-DZKIICNBSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000178320612 189106761 /nfs/dbraw/zinc/10/67/61/189106761.db2.gz QRFBOGSNCLNAED-DZKIICNBSA-N 2 1 299.422 2.401 20 0 CEADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCOC1 ZINC000675494852 540847330 /nfs/dbraw/zinc/84/73/30/540847330.db2.gz FCQHOXUWHZGEJU-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCOC1 ZINC000675494852 540847333 /nfs/dbraw/zinc/84/73/33/540847333.db2.gz FCQHOXUWHZGEJU-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCOC1 ZINC000675494852 540847336 /nfs/dbraw/zinc/84/73/36/540847336.db2.gz FCQHOXUWHZGEJU-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000179596264 189205396 /nfs/dbraw/zinc/20/53/96/189205396.db2.gz COVVDLRZNBJWGK-RISCZKNCSA-N 2 1 266.360 2.407 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000179596264 189205397 /nfs/dbraw/zinc/20/53/97/189205397.db2.gz COVVDLRZNBJWGK-RISCZKNCSA-N 2 1 266.360 2.407 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000571603965 299318270 /nfs/dbraw/zinc/31/82/70/299318270.db2.gz ULIOXPUKNPCOEY-BRWVUGGUSA-N 2 1 276.424 2.225 20 0 CEADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(-c2ccccc2)n1 ZINC000180231021 189245084 /nfs/dbraw/zinc/24/50/84/189245084.db2.gz ITSOFVRNNDMRGX-OAHLLOKOSA-N 2 1 298.434 2.471 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(-c2ccccc2)n1 ZINC000180231021 189245085 /nfs/dbraw/zinc/24/50/85/189245085.db2.gz ITSOFVRNNDMRGX-OAHLLOKOSA-N 2 1 298.434 2.471 20 0 CEADMP CCCc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000676907693 540968062 /nfs/dbraw/zinc/96/80/62/540968062.db2.gz LEKZUYJBFSYCLY-INIZCTEOSA-N 2 1 264.413 2.041 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH2+]Cc3ccccc32)cc1 ZINC000335025493 296029704 /nfs/dbraw/zinc/02/97/04/296029704.db2.gz UMTQHQLYJNROTD-CYBMUJFWSA-N 2 1 295.386 2.456 20 0 CEADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000677470981 541016974 /nfs/dbraw/zinc/01/69/74/541016974.db2.gz ICFDMIBXRBTMCE-MRXNPFEDSA-N 2 1 289.423 2.021 20 0 CEADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000677470981 541016975 /nfs/dbraw/zinc/01/69/75/541016975.db2.gz ICFDMIBXRBTMCE-MRXNPFEDSA-N 2 1 289.423 2.021 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@](C)(CO)c1ccccc1 ZINC000677817926 541046260 /nfs/dbraw/zinc/04/62/60/541046260.db2.gz RBWHGCOQLQOWGX-INIZCTEOSA-N 2 1 273.380 2.079 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC(OC2CCC2)CC1 ZINC000579969046 366731777 /nfs/dbraw/zinc/73/17/77/366731777.db2.gz BDEQDXKPIDCYAA-UHFFFAOYSA-N 2 1 277.412 2.386 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CS[C@H](C)C1 ZINC000638675215 370678145 /nfs/dbraw/zinc/67/81/45/370678145.db2.gz QDPFMFHACZFUKA-DGCLKSJQSA-N 2 1 253.415 2.455 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CCC1CC[NH2+]CC1 ZINC000237031679 370680707 /nfs/dbraw/zinc/68/07/07/370680707.db2.gz KNIPVVPBLMCOSG-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP CC(C)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182268509 189318213 /nfs/dbraw/zinc/31/82/13/189318213.db2.gz HKTLSCSZEDEIPA-YOEHRIQHSA-N 2 1 276.424 2.387 20 0 CEADMP CCOC(=O)[C@H](CC(C)C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000182356925 189320937 /nfs/dbraw/zinc/32/09/37/189320937.db2.gz IQEHRXBPHZDNRL-HNNXBMFYSA-N 2 1 295.427 2.491 20 0 CEADMP CCOC(=O)[C@H](CC(C)C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000182356925 189320938 /nfs/dbraw/zinc/32/09/38/189320938.db2.gz IQEHRXBPHZDNRL-HNNXBMFYSA-N 2 1 295.427 2.491 20 0 CEADMP C[C@H](NC[C@@H](O)C[NH+](C)C)c1ccc2c(c1)CCCC2 ZINC000154363969 366769911 /nfs/dbraw/zinc/76/99/11/366769911.db2.gz HKCXNAXDHAFLQZ-SUMWQHHRSA-N 2 1 276.424 2.139 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)C2(C)CC2)CC1 ZINC000154525926 366778276 /nfs/dbraw/zinc/77/82/76/366778276.db2.gz XFCPOOOUDQTSOE-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP COc1ccc(C[NH2+]CCC[NH+](C)C)cc1OC(F)F ZINC000019958108 361569982 /nfs/dbraw/zinc/56/99/82/361569982.db2.gz RRDJKFWYRKSZDQ-UHFFFAOYSA-N 2 1 288.338 2.338 20 0 CEADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000678590403 541154380 /nfs/dbraw/zinc/15/43/80/541154380.db2.gz GNEIKCVGYKEADZ-FSDCSDTHSA-N 2 1 276.424 2.223 20 0 CEADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000678590403 541154383 /nfs/dbraw/zinc/15/43/83/541154383.db2.gz GNEIKCVGYKEADZ-FSDCSDTHSA-N 2 1 276.424 2.223 20 0 CEADMP C[N@H+]1CC[C@@H](NC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000678608702 541158377 /nfs/dbraw/zinc/15/83/77/541158377.db2.gz RMWXUNDKZVFMKJ-IAGOWNOFSA-N 2 1 273.424 2.116 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000087409900 363854471 /nfs/dbraw/zinc/85/44/71/363854471.db2.gz CYGFPGQVFYIDFG-OLZOCXBDSA-N 2 1 264.417 2.111 20 0 CEADMP Cc1ncsc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000088869985 363927323 /nfs/dbraw/zinc/92/73/23/363927323.db2.gz QHAWPFYLZBNXNV-NSHDSACASA-N 2 1 253.415 2.273 20 0 CEADMP COc1cc2c(cc1OC)C[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000089749051 363998796 /nfs/dbraw/zinc/99/87/96/363998796.db2.gz KOEYTSPFASTHLM-CYBMUJFWSA-N 2 1 290.407 2.062 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc(Cl)cn1 ZINC000090409504 364055665 /nfs/dbraw/zinc/05/56/65/364055665.db2.gz KSRVLLAZBMHQDT-BZPMIXESSA-N 2 1 297.830 2.432 20 0 CEADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000334644653 364125657 /nfs/dbraw/zinc/12/56/57/364125657.db2.gz ZSHJHPAFOYLTLF-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1ccn2c(C[N@@H+](C)CC3CC[NH+](C)CC3)cnc2c1 ZINC000093088892 364139865 /nfs/dbraw/zinc/13/98/65/364139865.db2.gz DKPISQRRSDJKPC-UHFFFAOYSA-N 2 1 286.423 2.416 20 0 CEADMP C1=C(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)COCC1 ZINC000093564079 364200720 /nfs/dbraw/zinc/20/07/20/364200720.db2.gz MNGDYHBASYVIOQ-INIZCTEOSA-N 2 1 264.413 2.283 20 0 CEADMP [NH3+]CCCOC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000094070351 364249220 /nfs/dbraw/zinc/24/92/20/364249220.db2.gz OQHPGWHCUQLEBV-UHFFFAOYSA-N 2 1 284.350 2.295 20 0 CEADMP C[C@H](CCc1cccc(F)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000679988067 541349752 /nfs/dbraw/zinc/34/97/52/541349752.db2.gz BLTUOUFDMGBXEA-YUELXQCFSA-N 2 1 262.372 2.298 20 0 CEADMP Cc1ncsc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000335015572 364355257 /nfs/dbraw/zinc/35/52/57/364355257.db2.gz BSCFCBXVBSGVJA-QWHCGFSZSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncsc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000335015572 364355259 /nfs/dbraw/zinc/35/52/59/364355259.db2.gz BSCFCBXVBSGVJA-QWHCGFSZSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncsc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335015572 364355262 /nfs/dbraw/zinc/35/52/62/364355262.db2.gz BSCFCBXVBSGVJA-QWHCGFSZSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncsc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335015572 364355264 /nfs/dbraw/zinc/35/52/64/364355264.db2.gz BSCFCBXVBSGVJA-QWHCGFSZSA-N 2 1 265.426 2.368 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1(C)C ZINC000156367797 366832036 /nfs/dbraw/zinc/83/20/36/366832036.db2.gz USJLCNPNMHCHNC-YIYPIFLZSA-N 2 1 254.418 2.262 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1(C)C ZINC000156367797 366832040 /nfs/dbraw/zinc/83/20/40/366832040.db2.gz USJLCNPNMHCHNC-YIYPIFLZSA-N 2 1 254.418 2.262 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)CC1 ZINC000335187811 364597813 /nfs/dbraw/zinc/59/78/13/364597813.db2.gz VUUSWLFUGIEFMK-OAHLLOKOSA-N 2 1 272.396 2.479 20 0 CEADMP C[C@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)C1C[NH2+]C1 ZINC000335215988 364636836 /nfs/dbraw/zinc/63/68/36/364636836.db2.gz LHQLRUHUBRBDDF-HZMBPMFUSA-N 2 1 264.344 2.237 20 0 CEADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1F ZINC000335251203 364673564 /nfs/dbraw/zinc/67/35/64/364673564.db2.gz BGPZFAWEIKJANC-OAHLLOKOSA-N 2 1 292.398 2.321 20 0 CEADMP c1cc2c(cccc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH]1 ZINC000112839245 364849761 /nfs/dbraw/zinc/84/97/61/364849761.db2.gz ATDNBUMJAUMUPJ-CABCVRRESA-N 2 1 285.391 2.121 20 0 CEADMP c1cc2c(cccc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)[nH]1 ZINC000112839245 364849766 /nfs/dbraw/zinc/84/97/66/364849766.db2.gz ATDNBUMJAUMUPJ-CABCVRRESA-N 2 1 285.391 2.121 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000335631311 364817511 /nfs/dbraw/zinc/81/75/11/364817511.db2.gz AGADRCZEEPLLFE-HZPDHXFCSA-N 2 1 259.397 2.212 20 0 CEADMP C[N@@H+](Cc1ccc(F)c2cccnc12)C1CC([NH3+])C1 ZINC000335661346 364819848 /nfs/dbraw/zinc/81/98/48/364819848.db2.gz PJNCKTYXGLNJLD-UHFFFAOYSA-N 2 1 259.328 2.295 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342813166 216551436 /nfs/dbraw/zinc/55/14/36/216551436.db2.gz GZSADNLLHUCWMT-WFASDCNBSA-N 2 1 272.396 2.035 20 0 CEADMP COc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](C)CC1)C2 ZINC000680352348 541397579 /nfs/dbraw/zinc/39/75/79/541397579.db2.gz MKMFRARKJLRDCL-MRXNPFEDSA-N 2 1 274.408 2.236 20 0 CEADMP CC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCOCC1 ZINC000680494297 541419187 /nfs/dbraw/zinc/41/91/87/541419187.db2.gz MUSMIGRIAIIHBH-MRXNPFEDSA-N 2 1 296.455 2.036 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(CO)CCCCC1 ZINC000680542036 541426106 /nfs/dbraw/zinc/42/61/06/541426106.db2.gz IAVRGWNJFGDBJX-UHFFFAOYSA-N 2 1 277.412 2.180 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000335780421 364972545 /nfs/dbraw/zinc/97/25/45/364972545.db2.gz NLLBZQANMIHHTD-YPMHNXCESA-N 2 1 290.436 2.318 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000335780421 364972555 /nfs/dbraw/zinc/97/25/55/364972555.db2.gz NLLBZQANMIHHTD-YPMHNXCESA-N 2 1 290.436 2.318 20 0 CEADMP CC(C)C[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000356812692 370797735 /nfs/dbraw/zinc/79/77/35/370797735.db2.gz KAYZNALLIKVCAS-INIZCTEOSA-N 2 1 267.461 2.134 20 0 CEADMP CCc1nocc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000335940940 365191511 /nfs/dbraw/zinc/19/15/11/365191511.db2.gz BZYUFKBLCRBIOF-IUODEOHRSA-N 2 1 263.385 2.153 20 0 CEADMP CCc1nocc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000335940940 365191512 /nfs/dbraw/zinc/19/15/12/365191512.db2.gz BZYUFKBLCRBIOF-IUODEOHRSA-N 2 1 263.385 2.153 20 0 CEADMP CCc1nocc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000335940940 365191514 /nfs/dbraw/zinc/19/15/14/365191514.db2.gz BZYUFKBLCRBIOF-IUODEOHRSA-N 2 1 263.385 2.153 20 0 CEADMP CCc1nocc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000335940940 365191518 /nfs/dbraw/zinc/19/15/18/365191518.db2.gz BZYUFKBLCRBIOF-IUODEOHRSA-N 2 1 263.385 2.153 20 0 CEADMP COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000118976751 365194606 /nfs/dbraw/zinc/19/46/06/365194606.db2.gz ZDSNERWPTIVUHO-NVXWUHKLSA-N 2 1 294.439 2.138 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245201678 370806179 /nfs/dbraw/zinc/80/61/79/370806179.db2.gz LHKMPAORTYBDTE-WCVJEAGWSA-N 2 1 295.471 2.238 20 0 CEADMP CCN(CC)C(=O)C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000120067476 365368237 /nfs/dbraw/zinc/36/82/37/365368237.db2.gz WSXJMXVIOUOGGW-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N(C)C)c2)CC[N@H+]1C ZINC000119844271 365333204 /nfs/dbraw/zinc/33/32/04/365333204.db2.gz WKNSAOGPPSNGSK-HIFRSBDPSA-N 2 1 261.413 2.325 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cn[nH]c1 ZINC000340512365 366914781 /nfs/dbraw/zinc/91/47/81/366914781.db2.gz UJGOQLXYFSTJOU-GFCCVEGCSA-N 2 1 250.390 2.182 20 0 CEADMP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000340524534 366921327 /nfs/dbraw/zinc/92/13/27/366921327.db2.gz JJXYLQBUVQXOBB-CVEARBPZSA-N 2 1 293.459 2.014 20 0 CEADMP CC1CC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000681052756 541495181 /nfs/dbraw/zinc/49/51/81/541495181.db2.gz OGVNPWAUQONUSJ-PESDSKBTSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H](CSC)[N@H+](C)CCCc1c[nH+]cn1C ZINC000582853424 366968419 /nfs/dbraw/zinc/96/84/19/366968419.db2.gz DBBSDLOPCLEXLA-LBPRGKRZSA-N 2 1 255.431 2.426 20 0 CEADMP CC[C@@H](CSC)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000582853424 366968425 /nfs/dbraw/zinc/96/84/25/366968425.db2.gz DBBSDLOPCLEXLA-LBPRGKRZSA-N 2 1 255.431 2.426 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000583199584 367013766 /nfs/dbraw/zinc/01/37/66/367013766.db2.gz VITVMTHCWAQZDH-CHWSQXEVSA-N 2 1 296.377 2.257 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000583199584 367013774 /nfs/dbraw/zinc/01/37/74/367013774.db2.gz VITVMTHCWAQZDH-CHWSQXEVSA-N 2 1 296.377 2.257 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccnc(OC)c2)C1 ZINC000583332883 367034687 /nfs/dbraw/zinc/03/46/87/367034687.db2.gz XUGZQSFMHHOERW-QWHCGFSZSA-N 2 1 263.385 2.083 20 0 CEADMP OCCCC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000572413823 299366357 /nfs/dbraw/zinc/36/63/57/299366357.db2.gz VZEBSYMIYTVOQK-UHFFFAOYSA-N 2 1 274.408 2.069 20 0 CEADMP C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)C1C[NH2+]C1 ZINC000583747068 367090688 /nfs/dbraw/zinc/09/06/88/367090688.db2.gz SLHFZEJSVHFWSX-IAQYHMDHSA-N 2 1 281.831 2.140 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000245442581 370821350 /nfs/dbraw/zinc/82/13/50/370821350.db2.gz IENMUWWLHHITCV-MSOLQXFVSA-N 2 1 290.451 2.254 20 0 CEADMP CCC[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[NH+](C)C ZINC000162338965 367153220 /nfs/dbraw/zinc/15/32/20/367153220.db2.gz HCHBPMBLSJKORL-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000163309804 367230010 /nfs/dbraw/zinc/23/00/10/367230010.db2.gz MNOMIXQTRMJZTK-MRXNPFEDSA-N 2 1 286.379 2.130 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000163309804 367230014 /nfs/dbraw/zinc/23/00/14/367230014.db2.gz MNOMIXQTRMJZTK-MRXNPFEDSA-N 2 1 286.379 2.130 20 0 CEADMP COc1ccc(OC)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000163408255 367237492 /nfs/dbraw/zinc/23/74/92/367237492.db2.gz ICOGKTLVZAPZHC-JSGCOSHPSA-N 2 1 278.396 2.121 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000163408255 367237497 /nfs/dbraw/zinc/23/74/97/367237497.db2.gz ICOGKTLVZAPZHC-JSGCOSHPSA-N 2 1 278.396 2.121 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000165642082 367310537 /nfs/dbraw/zinc/31/05/37/367310537.db2.gz ZEEOEZURISDLJZ-CABCVRRESA-N 2 1 268.445 2.249 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000631526449 367380802 /nfs/dbraw/zinc/38/08/02/367380802.db2.gz LRHXWWFPLRKGBG-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000631526449 367380805 /nfs/dbraw/zinc/38/08/05/367380805.db2.gz LRHXWWFPLRKGBG-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000631526449 367380809 /nfs/dbraw/zinc/38/08/09/367380809.db2.gz LRHXWWFPLRKGBG-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000631536722 367387889 /nfs/dbraw/zinc/38/78/89/367387889.db2.gz KNFBFWRVHFNLDP-UHFFFAOYSA-N 2 1 283.375 2.418 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)[C@@H](C)O1 ZINC000631702159 367493475 /nfs/dbraw/zinc/49/34/75/367493475.db2.gz JCNZEJXYVCNEOJ-JSLGZRHDSA-N 2 1 252.402 2.015 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)CC1 ZINC000631715723 367498934 /nfs/dbraw/zinc/49/89/34/367498934.db2.gz ZRTNOGMYCQNJTQ-RYUDHWBXSA-N 2 1 282.350 2.008 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000631752974 367523300 /nfs/dbraw/zinc/52/33/00/367523300.db2.gz AMWVMSQRBBWAFG-ZIQFBCGOSA-N 2 1 262.319 2.400 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@@H](NCC2([NH+](C)C)CCCCC2)C1 ZINC000342850567 367570355 /nfs/dbraw/zinc/57/03/55/367570355.db2.gz NDODHAHLYDCUEW-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC000631840105 367581087 /nfs/dbraw/zinc/58/10/87/367581087.db2.gz PLLGWEISFAUZOE-ZYHUDNBSSA-N 2 1 268.788 2.375 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC000631840105 367581090 /nfs/dbraw/zinc/58/10/90/367581090.db2.gz PLLGWEISFAUZOE-ZYHUDNBSSA-N 2 1 268.788 2.375 20 0 CEADMP CC[C@H]1CO[C@@H](C)C[N@@H+]1CCCn1cc[nH+]c1C ZINC000342858515 367574550 /nfs/dbraw/zinc/57/45/50/367574550.db2.gz AATLVOKFSZBZIQ-JSGCOSHPSA-N 2 1 251.374 2.081 20 0 CEADMP CC[C@H]1CO[C@@H](C)C[N@H+]1CCCn1cc[nH+]c1C ZINC000342858515 367574553 /nfs/dbraw/zinc/57/45/53/367574553.db2.gz AATLVOKFSZBZIQ-JSGCOSHPSA-N 2 1 251.374 2.081 20 0 CEADMP COc1ccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631888206 367611222 /nfs/dbraw/zinc/61/12/22/367611222.db2.gz XHGSURLSNIZEOD-PBHICJAKSA-N 2 1 290.407 2.148 20 0 CEADMP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)[C@H]1CCCCO1 ZINC000631889199 367611389 /nfs/dbraw/zinc/61/13/89/367611389.db2.gz DFMWVDQNXQBOJP-RRFJBIMHSA-N 2 1 252.402 2.020 20 0 CEADMP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)[C@H]1CCCCO1 ZINC000631889199 367611392 /nfs/dbraw/zinc/61/13/92/367611392.db2.gz DFMWVDQNXQBOJP-RRFJBIMHSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnn2ccccc12 ZINC000171764690 367612515 /nfs/dbraw/zinc/61/25/15/367612515.db2.gz MLNJOTKAYOYLMV-ZDUSSCGKSA-N 2 1 283.379 2.265 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)C1CCCC1 ZINC000631891222 367612667 /nfs/dbraw/zinc/61/26/67/367612667.db2.gz XBLJQEJXNHSAGE-BZUAXINKSA-N 2 1 266.429 2.266 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890822 367612794 /nfs/dbraw/zinc/61/27/94/367612794.db2.gz VVKLOEYRZKJICT-WMLDXEAASA-N 2 1 273.424 2.327 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN([C@@H](C)c2cnc(C)nc2C)C1 ZINC000682073905 541628077 /nfs/dbraw/zinc/62/80/77/541628077.db2.gz OXZXCKZMPRTLSF-DZGCQCFKSA-N 2 1 276.428 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2nccs2)[C@H](C)C1 ZINC000358048837 370884502 /nfs/dbraw/zinc/88/45/02/370884502.db2.gz QSJWGZLESAOWNI-OLZOCXBDSA-N 2 1 267.442 2.396 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275935483 193167260 /nfs/dbraw/zinc/16/72/60/193167260.db2.gz WJUZODANUJIACL-UHFFFAOYSA-N 2 1 277.412 2.069 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000245820335 370877244 /nfs/dbraw/zinc/87/72/44/370877244.db2.gz VHGNMIMBDYDLJL-IAGOWNOFSA-N 2 1 277.456 2.197 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1nccs1 ZINC000358032916 370877296 /nfs/dbraw/zinc/87/72/96/370877296.db2.gz DECBDTDYYRBYSS-JHJVBQTASA-N 2 1 267.442 2.394 20 0 CEADMP c1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH]nc1-c1cccnc1 ZINC000343612508 367916886 /nfs/dbraw/zinc/91/68/86/367916886.db2.gz IGWLWODSCABZPZ-HOCLYGCPSA-N 2 1 297.406 2.188 20 0 CEADMP c1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)[nH]nc1-c1cccnc1 ZINC000343612508 367916890 /nfs/dbraw/zinc/91/68/90/367916890.db2.gz IGWLWODSCABZPZ-HOCLYGCPSA-N 2 1 297.406 2.188 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000343581239 367896884 /nfs/dbraw/zinc/89/68/84/367896884.db2.gz WRCDKTGWRYBICF-UONOGXRCSA-N 2 1 283.460 2.144 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000344368074 368121100 /nfs/dbraw/zinc/12/11/00/368121100.db2.gz COFBBQKYJXNXGP-RBSFLKMASA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCSCC2)[C@H](C)C1 ZINC000345170300 368179942 /nfs/dbraw/zinc/17/99/42/368179942.db2.gz QUIHBTDXXYOZFB-TZMCWYRMSA-N 2 1 256.459 2.450 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC000345525459 368311517 /nfs/dbraw/zinc/31/15/17/368311517.db2.gz HTHZQTVEKUTTDZ-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000345525459 368311522 /nfs/dbraw/zinc/31/15/22/368311522.db2.gz HTHZQTVEKUTTDZ-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000345525459 368311526 /nfs/dbraw/zinc/31/15/26/368311526.db2.gz HTHZQTVEKUTTDZ-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CC[C@H](C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)[NH+](CC)CC ZINC000345985628 368508608 /nfs/dbraw/zinc/50/86/08/368508608.db2.gz DLFSFXOOHSLWLA-BZUAXINKSA-N 2 1 297.487 2.486 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000572691827 299389375 /nfs/dbraw/zinc/38/93/75/299389375.db2.gz XKXNGSCCNHXFQL-YJNKXOJESA-N 2 1 254.418 2.406 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000572691827 299389378 /nfs/dbraw/zinc/38/93/78/299389378.db2.gz XKXNGSCCNHXFQL-YJNKXOJESA-N 2 1 254.418 2.406 20 0 CEADMP CCc1cnc(C[NH+]2CCC(OCC[NH+](C)C)CC2)s1 ZINC000346218326 368595840 /nfs/dbraw/zinc/59/58/40/368595840.db2.gz MEILPRTZCMSJJH-UHFFFAOYSA-N 2 1 297.468 2.248 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@H]2CCCO2)CC1 ZINC000346251416 368607681 /nfs/dbraw/zinc/60/76/81/368607681.db2.gz SHUFPYJBDSEOJF-OAHLLOKOSA-N 2 1 254.418 2.360 20 0 CEADMP CCN(CC)CC[N@@H+](CCn1ccnc1C)CC(C)C ZINC000346324334 368635951 /nfs/dbraw/zinc/63/59/51/368635951.db2.gz KPCDUUPPLYFHCG-UHFFFAOYSA-N 2 1 280.460 2.491 20 0 CEADMP C[C@@H](CC[NH2+][C@@H](C)c1cnn(C)c1)[NH+]1CCCCC1 ZINC000184509776 368700212 /nfs/dbraw/zinc/70/02/12/368700212.db2.gz WDHHNBYVINUEHO-KBPBESRZSA-N 2 1 264.417 2.335 20 0 CEADMP C[C@H](c1cnccn1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000184681238 368711135 /nfs/dbraw/zinc/71/11/35/368711135.db2.gz SFGKNAUCGUPONB-CKEIUWERSA-N 2 1 286.423 2.486 20 0 CEADMP COc1cc2c(c(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)c1)O[C@H](C)C2 ZINC000346670651 368762969 /nfs/dbraw/zinc/76/29/69/368762969.db2.gz GRWJHANOAGRFPA-XQQFMLRXSA-N 2 1 290.407 2.188 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000346671490 368763229 /nfs/dbraw/zinc/76/32/29/368763229.db2.gz JTVFNLRMUIHTEG-JQWIXIFHSA-N 2 1 290.436 2.442 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000346671490 368763231 /nfs/dbraw/zinc/76/32/31/368763231.db2.gz JTVFNLRMUIHTEG-JQWIXIFHSA-N 2 1 290.436 2.442 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C1(C)C ZINC000185190440 368764191 /nfs/dbraw/zinc/76/41/91/368764191.db2.gz PKPBOSPRFRMXLH-UONOGXRCSA-N 2 1 254.418 2.262 20 0 CEADMP [NH3+]C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000346651397 368753436 /nfs/dbraw/zinc/75/34/36/368753436.db2.gz OIUPYCYKRCUGPK-UHFFFAOYSA-N 2 1 256.296 2.211 20 0 CEADMP C[C@@H](CO)[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCCC1 ZINC000347247507 368804434 /nfs/dbraw/zinc/80/44/34/368804434.db2.gz KSLROCLUKBGHGQ-UONOGXRCSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@@H](CO)[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000347247507 368804439 /nfs/dbraw/zinc/80/44/39/368804439.db2.gz KSLROCLUKBGHGQ-UONOGXRCSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@@H](CO)[NH+](CC[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC000347247507 368804443 /nfs/dbraw/zinc/80/44/43/368804443.db2.gz KSLROCLUKBGHGQ-UONOGXRCSA-N 2 1 254.418 2.096 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc3c2OCCO3)C1 ZINC000634732977 368844153 /nfs/dbraw/zinc/84/41/53/368844153.db2.gz SSOVWNLUWFLRMW-CQSZACIVSA-N 2 1 290.407 2.326 20 0 CEADMP CC[C@@H]1C[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634713278 368835150 /nfs/dbraw/zinc/83/51/50/368835150.db2.gz SZRHXNQHNFQAJZ-BRWVUGGUSA-N 2 1 274.408 2.012 20 0 CEADMP CC[C@@H]1C[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713278 368835153 /nfs/dbraw/zinc/83/51/53/368835153.db2.gz SZRHXNQHNFQAJZ-BRWVUGGUSA-N 2 1 274.408 2.012 20 0 CEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000185650969 368837333 /nfs/dbraw/zinc/83/73/33/368837333.db2.gz OBNQEXLCVXGASG-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP CC1CC(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634721766 368838233 /nfs/dbraw/zinc/83/82/33/368838233.db2.gz FMQXGKCOADHJRF-VMWRSERWSA-N 2 1 288.435 2.259 20 0 CEADMP CC1CC(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634721766 368838237 /nfs/dbraw/zinc/83/82/37/368838237.db2.gz FMQXGKCOADHJRF-VMWRSERWSA-N 2 1 288.435 2.259 20 0 CEADMP COCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665317 368838941 /nfs/dbraw/zinc/83/89/41/368838941.db2.gz HLXQQYWRAYMXRA-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000346694430 368778109 /nfs/dbraw/zinc/77/81/09/368778109.db2.gz ULIUCTNMGMWLIX-STQMWFEESA-N 2 1 270.380 2.246 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000346694430 368778110 /nfs/dbraw/zinc/77/81/10/368778110.db2.gz ULIUCTNMGMWLIX-STQMWFEESA-N 2 1 270.380 2.246 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@]1(C)C1CCCCC1 ZINC000634652622 368798809 /nfs/dbraw/zinc/79/88/09/368798809.db2.gz VWOGCOBOBZERLJ-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@]1(C)C1CCCCC1 ZINC000634652622 368798812 /nfs/dbraw/zinc/79/88/12/368798812.db2.gz VWOGCOBOBZERLJ-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@]1(C)C1CCCCC1 ZINC000634652622 368798815 /nfs/dbraw/zinc/79/88/15/368798815.db2.gz VWOGCOBOBZERLJ-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H]1CC[C@@H]1[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000348086497 368889820 /nfs/dbraw/zinc/88/98/20/368889820.db2.gz OFTXGMFJTPRZEZ-HOTGVXAUSA-N 2 1 267.461 2.182 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000348109551 368901285 /nfs/dbraw/zinc/90/12/85/368901285.db2.gz LXFRFQFACIPZBP-HOTGVXAUSA-N 2 1 281.488 2.428 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348263081 368974456 /nfs/dbraw/zinc/97/44/56/368974456.db2.gz SBOUKEZDJLKXKP-IAGOWNOFSA-N 2 1 276.424 2.348 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000348212617 368951682 /nfs/dbraw/zinc/95/16/82/368951682.db2.gz SVZRMAMAEGNCIL-HOTGVXAUSA-N 2 1 268.445 2.392 20 0 CEADMP CCn1cc(CC[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cn1 ZINC000348279384 368982706 /nfs/dbraw/zinc/98/27/06/368982706.db2.gz XZJGQVQJACKINQ-MRXNPFEDSA-N 2 1 278.444 2.109 20 0 CEADMP CCn1cc(CC[N@H+]2CC[C@H](C[NH+](CC)CC)C2)cn1 ZINC000348279384 368982710 /nfs/dbraw/zinc/98/27/10/368982710.db2.gz XZJGQVQJACKINQ-MRXNPFEDSA-N 2 1 278.444 2.109 20 0 CEADMP C[C@](CO)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000348327832 369006047 /nfs/dbraw/zinc/00/60/47/369006047.db2.gz FLLKADSBDGOHQS-OKZBNKHCSA-N 2 1 288.435 2.153 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(CO)c2ccccc2)CC[N@H+]1C ZINC000348333647 369008644 /nfs/dbraw/zinc/00/86/44/369008644.db2.gz OBBNLUHZPKAJFC-DJIMGWMZSA-N 2 1 276.424 2.009 20 0 CEADMP C[C@@H]([NH2+]CCc1cnn(C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000348360000 369016622 /nfs/dbraw/zinc/01/66/22/369016622.db2.gz BNPRHUKDRMRVQX-GDBMZVCRSA-N 2 1 290.455 2.205 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634992668 369020864 /nfs/dbraw/zinc/02/08/64/369020864.db2.gz XEUYQKGCVYKPRG-KNXWPPODSA-N 2 1 291.483 2.325 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634992669 369021102 /nfs/dbraw/zinc/02/11/02/369021102.db2.gz XEUYQKGCVYKPRG-MRLCAUJQSA-N 2 1 291.483 2.325 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCCCC[C@H]([NH3+])C2)c1 ZINC000634997090 369026436 /nfs/dbraw/zinc/02/64/36/369026436.db2.gz COMNJROGWIRDKC-ZDUSSCGKSA-N 2 1 263.385 2.102 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000186735636 369030992 /nfs/dbraw/zinc/03/09/92/369030992.db2.gz ARHMDJWVZVNECF-XHSDSOJGSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000635002849 369038551 /nfs/dbraw/zinc/03/85/51/369038551.db2.gz AGKYAZXEEIJUAB-OTYXRUKQSA-N 2 1 286.778 2.100 20 0 CEADMP C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000635002850 369039021 /nfs/dbraw/zinc/03/90/21/369039021.db2.gz AGKYAZXEEIJUAB-XPTSAGLGSA-N 2 1 286.778 2.100 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)c2nccn21 ZINC000635006943 369042515 /nfs/dbraw/zinc/04/25/15/369042515.db2.gz NFSKUOUXZGNTKF-BMFZPTHFSA-N 2 1 284.407 2.439 20 0 CEADMP [NH3+][C@@H](CC[NH2+]C1CCN(C2CC2)CC1)Cc1ccccc1 ZINC000635007048 369042716 /nfs/dbraw/zinc/04/27/16/369042716.db2.gz OCKJZCAJWMRPHP-INIZCTEOSA-N 2 1 287.451 2.163 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635008665 369045729 /nfs/dbraw/zinc/04/57/29/369045729.db2.gz GHQAZSWHICNESQ-IRXDYDNUSA-N 3 1 273.424 2.082 20 0 CEADMP c1cnc2cc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)ccc2n1 ZINC000634953036 368986937 /nfs/dbraw/zinc/98/69/37/368986937.db2.gz PFMFSXRGOJCAMX-RDJZCZTQSA-N 2 1 282.391 2.346 20 0 CEADMP c1cnc2cc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)ccc2n1 ZINC000634953036 368986939 /nfs/dbraw/zinc/98/69/39/368986939.db2.gz PFMFSXRGOJCAMX-RDJZCZTQSA-N 2 1 282.391 2.346 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@H]2CCC[C@@H]21 ZINC000635011836 369049842 /nfs/dbraw/zinc/04/98/42/369049842.db2.gz PKNMLFKKVRVHIP-WCVJEAGWSA-N 3 1 279.472 2.227 20 0 CEADMP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)[C@H]2CCC[C@@H]21 ZINC000635011836 369049846 /nfs/dbraw/zinc/04/98/46/369049846.db2.gz PKNMLFKKVRVHIP-WCVJEAGWSA-N 2 1 279.472 2.227 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)[C@H]2CCC[C@@H]21 ZINC000635011836 369049851 /nfs/dbraw/zinc/04/98/51/369049851.db2.gz PKNMLFKKVRVHIP-WCVJEAGWSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)c2nccn21 ZINC000635012006 369050286 /nfs/dbraw/zinc/05/02/86/369050286.db2.gz SBUVJALCYBQGNF-MLGOLLRUSA-N 2 1 282.391 2.324 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@@H]2CCC[C@@H]21 ZINC000635011835 369050419 /nfs/dbraw/zinc/05/04/19/369050419.db2.gz PKNMLFKKVRVHIP-UGUYLWEFSA-N 3 1 279.472 2.227 20 0 CEADMP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)[C@@H]2CCC[C@@H]21 ZINC000635011835 369050420 /nfs/dbraw/zinc/05/04/20/369050420.db2.gz PKNMLFKKVRVHIP-UGUYLWEFSA-N 2 1 279.472 2.227 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)[C@@H]2CCC[C@@H]21 ZINC000635011835 369050425 /nfs/dbraw/zinc/05/04/25/369050425.db2.gz PKNMLFKKVRVHIP-UGUYLWEFSA-N 2 1 279.472 2.227 20 0 CEADMP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000186835518 369055538 /nfs/dbraw/zinc/05/55/38/369055538.db2.gz SYIHKSQMMRGEEZ-CABCVRRESA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[N@@H+](CCCc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000348754518 369142392 /nfs/dbraw/zinc/14/23/92/369142392.db2.gz AHSPIFOLTWZHTM-DOMZBBRYSA-N 2 1 250.361 2.427 20 0 CEADMP C[C@H]1C[N@@H+](CCCc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000348754521 369142460 /nfs/dbraw/zinc/14/24/60/369142460.db2.gz AHSPIFOLTWZHTM-SWLSCSKDSA-N 2 1 250.361 2.427 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1C1CCOCC1 ZINC000348926103 369200728 /nfs/dbraw/zinc/20/07/28/369200728.db2.gz GJSGTSPLRNXMJC-JKSUJKDBSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000348926103 369200729 /nfs/dbraw/zinc/20/07/29/369200729.db2.gz GJSGTSPLRNXMJC-JKSUJKDBSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000348926103 369200730 /nfs/dbraw/zinc/20/07/30/369200730.db2.gz GJSGTSPLRNXMJC-JKSUJKDBSA-N 2 1 266.429 2.362 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000348947203 369205646 /nfs/dbraw/zinc/20/56/46/369205646.db2.gz ISWZPMYVWNQKBX-UHFFFAOYSA-N 2 1 283.460 2.101 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCCC[C@@H]1C ZINC000349091709 369242117 /nfs/dbraw/zinc/24/21/17/369242117.db2.gz ZJIGZMUMZDLZFJ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000349091709 369242124 /nfs/dbraw/zinc/24/21/24/369242124.db2.gz ZJIGZMUMZDLZFJ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000349091709 369242131 /nfs/dbraw/zinc/24/21/31/369242131.db2.gz ZJIGZMUMZDLZFJ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](C)CCOCC[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000349221696 369270737 /nfs/dbraw/zinc/27/07/37/369270737.db2.gz XGJUKTWXTUPMBW-UHFFFAOYSA-N 2 1 289.379 2.009 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1coc(C[NH3+])c1 ZINC000188079319 369292143 /nfs/dbraw/zinc/29/21/43/369292143.db2.gz FVFQADMXRPDJHP-CYBMUJFWSA-N 2 1 293.411 2.123 20 0 CEADMP CC[C@H]1C[C@H](C[N@@H+](CC)CCC[NH+](C)C)CCO1 ZINC000349409652 369322354 /nfs/dbraw/zinc/32/23/54/369322354.db2.gz SJRZQJLXQPPCQW-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP Cc1csc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000349664516 369364695 /nfs/dbraw/zinc/36/46/95/369364695.db2.gz MEAUSXAMFHWQIH-MDZLAQPJSA-N 2 1 267.442 2.485 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635947493 369417828 /nfs/dbraw/zinc/41/78/28/369417828.db2.gz JBZADDVRMXHPJF-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635974853 369434735 /nfs/dbraw/zinc/43/47/35/369434735.db2.gz IHXCUWUSDNPRNM-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635974853 369434741 /nfs/dbraw/zinc/43/47/41/369434741.db2.gz IHXCUWUSDNPRNM-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP Cn1ccnc1[C@H](C1CC1)[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000639077948 370952090 /nfs/dbraw/zinc/95/20/90/370952090.db2.gz SXDIYOQMHKITNX-CJNGLKHVSA-N 2 1 299.422 2.262 20 0 CEADMP Cn1ccnc1[C@H](C1CC1)[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000639077948 370952093 /nfs/dbraw/zinc/95/20/93/370952093.db2.gz SXDIYOQMHKITNX-CJNGLKHVSA-N 2 1 299.422 2.262 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(C)s1 ZINC000358250067 370970725 /nfs/dbraw/zinc/97/07/25/370970725.db2.gz KWTRNPMLZBXCBM-SMDDNHRTSA-N 2 1 268.426 2.082 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(C)s1 ZINC000358250067 370970730 /nfs/dbraw/zinc/97/07/30/370970730.db2.gz KWTRNPMLZBXCBM-SMDDNHRTSA-N 2 1 268.426 2.082 20 0 CEADMP CC1=CC[N@@H+](CCNC2CC[NH+](C(C)C)CC2)CC1 ZINC000358244943 370968381 /nfs/dbraw/zinc/96/83/81/370968381.db2.gz XFDMWZZOXGTSPZ-UHFFFAOYSA-N 2 1 265.445 2.101 20 0 CEADMP CC1=CCN(CC[NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000358244943 370968388 /nfs/dbraw/zinc/96/83/88/370968388.db2.gz XFDMWZZOXGTSPZ-UHFFFAOYSA-N 2 1 265.445 2.101 20 0 CEADMP C[C@@H]([C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC000358261801 370980256 /nfs/dbraw/zinc/98/02/56/370980256.db2.gz WNORDOLUIBDIRG-DZKIICNBSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]([C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC000358261801 370980258 /nfs/dbraw/zinc/98/02/58/370980258.db2.gz WNORDOLUIBDIRG-DZKIICNBSA-N 2 1 268.445 2.248 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000352167399 369664810 /nfs/dbraw/zinc/66/48/10/369664810.db2.gz AUAQYDLSYPXQEA-HUUCEWRRSA-N 2 1 283.460 2.144 20 0 CEADMP Cc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352342877 369679937 /nfs/dbraw/zinc/67/99/37/369679937.db2.gz ZROGSYULWSJTJC-CRAIPNDOSA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccccc1C[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352342877 369679941 /nfs/dbraw/zinc/67/99/41/369679941.db2.gz ZROGSYULWSJTJC-CRAIPNDOSA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccccc1C[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352342877 369679945 /nfs/dbraw/zinc/67/99/45/369679945.db2.gz ZROGSYULWSJTJC-CRAIPNDOSA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccccc1C[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352342877 369679949 /nfs/dbraw/zinc/67/99/49/369679949.db2.gz ZROGSYULWSJTJC-CRAIPNDOSA-N 2 1 290.451 2.313 20 0 CEADMP CC[NH+](CC)[C@@H](C)CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000352386156 369702764 /nfs/dbraw/zinc/70/27/64/369702764.db2.gz TWAHFWOPQFQKKM-AWEZNQCLSA-N 2 1 291.443 2.031 20 0 CEADMP COC(=O)C1CCC([NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC000192443473 369813559 /nfs/dbraw/zinc/81/35/59/369813559.db2.gz MWUNTRKWYABTON-UHFFFAOYSA-N 2 1 293.411 2.293 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)[NH+](C)C ZINC000192466494 369816767 /nfs/dbraw/zinc/81/67/67/369816767.db2.gz ICJMDFGCYRHSQP-CFVMTHIKSA-N 2 1 256.434 2.367 20 0 CEADMP CCn1nccc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352534066 369776245 /nfs/dbraw/zinc/77/62/45/369776245.db2.gz CSOPCVSJFKDKOA-UHFFFAOYSA-N 2 1 264.417 2.244 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000192645620 369838448 /nfs/dbraw/zinc/83/84/48/369838448.db2.gz VYRLSIZZLREDQY-PMPSAXMXSA-N 2 1 268.445 2.369 20 0 CEADMP Cc1cnn(C)c1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000352758698 369869317 /nfs/dbraw/zinc/86/93/17/369869317.db2.gz HUMCKZBJKISART-AWEZNQCLSA-N 2 1 266.433 2.185 20 0 CEADMP CCC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352764761 369872979 /nfs/dbraw/zinc/87/29/79/369872979.db2.gz HBIGOMXSKGYYNV-UHFFFAOYSA-N 2 1 253.415 2.485 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC[C@H]1CCCC[N@H+]1C ZINC000352801749 369884573 /nfs/dbraw/zinc/88/45/73/369884573.db2.gz UBJPUHXFYQNBID-ZACQAIPSSA-N 2 1 279.472 2.419 20 0 CEADMP Cc1cnn(C)c1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000352814044 369891246 /nfs/dbraw/zinc/89/12/46/369891246.db2.gz KBVZTOWYYUWQQK-OAHLLOKOSA-N 2 1 278.444 2.473 20 0 CEADMP C[C@@H](O)C[N@H+](C)C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000352850395 369913468 /nfs/dbraw/zinc/91/34/68/369913468.db2.gz TWUXXEWHVFOMRN-LLVKDONJSA-N 2 1 283.803 2.016 20 0 CEADMP C[C@@H](O)C[N@@H+](C)C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000352850395 369913472 /nfs/dbraw/zinc/91/34/72/369913472.db2.gz TWUXXEWHVFOMRN-LLVKDONJSA-N 2 1 283.803 2.016 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193293505 369920311 /nfs/dbraw/zinc/92/03/11/369920311.db2.gz VFTOPFGNDNKKFH-MRXNPFEDSA-N 2 1 288.435 2.486 20 0 CEADMP C=Cn1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC000194354253 370029862 /nfs/dbraw/zinc/02/98/62/370029862.db2.gz GEUWGDICAXWDOW-GOOCMWNKSA-N 2 1 260.385 2.089 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NCc1c[nH+]ccc1N(C)C ZINC000353138120 370035117 /nfs/dbraw/zinc/03/51/17/370035117.db2.gz XYTAJJZXFHTQOY-AWEZNQCLSA-N 2 1 278.444 2.358 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353020973 369985069 /nfs/dbraw/zinc/98/50/69/369985069.db2.gz BZSBABBQAIKELR-LBPRGKRZSA-N 2 1 264.360 2.279 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353020973 369985072 /nfs/dbraw/zinc/98/50/72/369985072.db2.gz BZSBABBQAIKELR-LBPRGKRZSA-N 2 1 264.360 2.279 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](COC(F)F)C1 ZINC000353027546 369990201 /nfs/dbraw/zinc/99/02/01/369990201.db2.gz YADNIUKYFATHNW-RYUDHWBXSA-N 2 1 262.344 2.032 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353027546 369990203 /nfs/dbraw/zinc/99/02/03/369990203.db2.gz YADNIUKYFATHNW-RYUDHWBXSA-N 2 1 262.344 2.032 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353027546 369990204 /nfs/dbraw/zinc/99/02/04/369990204.db2.gz YADNIUKYFATHNW-RYUDHWBXSA-N 2 1 262.344 2.032 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1CCC(=O)NC ZINC000353183251 370059177 /nfs/dbraw/zinc/05/91/77/370059177.db2.gz POBRQQJCCWHAKC-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CC(C)n1nccc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000354124216 370225221 /nfs/dbraw/zinc/22/52/21/370225221.db2.gz IFZNJSSIHMAFCZ-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1(C)C ZINC000223437453 370265232 /nfs/dbraw/zinc/26/52/32/370265232.db2.gz UUDNZSJZPQGXKQ-CBBWQLFWSA-N 2 1 266.429 2.406 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1(C)C ZINC000223437453 370265238 /nfs/dbraw/zinc/26/52/38/370265238.db2.gz UUDNZSJZPQGXKQ-CBBWQLFWSA-N 2 1 266.429 2.406 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@](C)(OC)C2CC2)[C@H](C)C1 ZINC000638112658 370308701 /nfs/dbraw/zinc/30/87/01/370308701.db2.gz JQBQMWCHNIFPDZ-VNQPRFMTSA-N 2 1 268.445 2.464 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCCC[C@@H]1CC ZINC000354444658 370366273 /nfs/dbraw/zinc/36/62/73/370366273.db2.gz LBMCEKJFJXXIEP-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227538322 370372481 /nfs/dbraw/zinc/37/24/81/370372481.db2.gz KBYKMHIEIUGRQS-DFBGVHRSSA-N 2 1 256.353 2.006 20 0 CEADMP CCC[C@@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)OC ZINC000638135420 370329493 /nfs/dbraw/zinc/32/94/93/370329493.db2.gz ULOJRZUJYDNIOJ-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[C@@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)OC ZINC000638135420 370329498 /nfs/dbraw/zinc/32/94/98/370329498.db2.gz ULOJRZUJYDNIOJ-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)OC ZINC000638135420 370329500 /nfs/dbraw/zinc/32/95/00/370329500.db2.gz ULOJRZUJYDNIOJ-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP [NH3+]CC1(CC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000229415765 370425503 /nfs/dbraw/zinc/42/55/03/370425503.db2.gz BRTAMJYNYLQRRG-LSDHHAIUSA-N 2 1 293.455 2.029 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(-c4ccco4)on3)C[C@H]21 ZINC000228477251 370403140 /nfs/dbraw/zinc/40/31/40/370403140.db2.gz SKXYMYLOJMKSGQ-MRVWCRGKSA-N 2 1 287.363 2.494 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4ccco4)on3)C[C@H]21 ZINC000228477251 370403149 /nfs/dbraw/zinc/40/31/49/370403149.db2.gz SKXYMYLOJMKSGQ-MRVWCRGKSA-N 2 1 287.363 2.494 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)ccn1 ZINC000638338308 370454511 /nfs/dbraw/zinc/45/45/11/370454511.db2.gz VOODBTTXHATNFE-CQSZACIVSA-N 2 1 279.428 2.341 20 0 CEADMP CO[C@@]1(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCOC1 ZINC000638365499 370475518 /nfs/dbraw/zinc/47/55/18/370475518.db2.gz FDFYMKKXSKWVCA-JKSUJKDBSA-N 2 1 284.444 2.036 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)CC2CCCC2)CC1 ZINC000232143893 370500527 /nfs/dbraw/zinc/50/05/27/370500527.db2.gz SOYRMIAYNPIASM-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)CC2CCCC2)CC1 ZINC000232143893 370500530 /nfs/dbraw/zinc/50/05/30/370500530.db2.gz SOYRMIAYNPIASM-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OCC)[C@@]23CCCO3)C1 ZINC000638408996 370508278 /nfs/dbraw/zinc/50/82/78/370508278.db2.gz HDLXPJLKEAITFL-YYIAUSFCSA-N 2 1 296.455 2.035 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000354934549 370498862 /nfs/dbraw/zinc/49/88/62/370498862.db2.gz KTFMWTCPEHXTQT-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277376250 193635525 /nfs/dbraw/zinc/63/55/25/193635525.db2.gz XZDVFNGSPZNKQO-OAHLLOKOSA-N 2 1 277.412 2.315 20 0 CEADMP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000235660376 370572710 /nfs/dbraw/zinc/57/27/10/370572710.db2.gz OUGQHBJRHDXKDB-CMPLNLGQSA-N 2 1 253.415 2.271 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCOCC(F)F)c2ccccc21 ZINC000236303341 370587305 /nfs/dbraw/zinc/58/73/05/370587305.db2.gz BIJHSAKHWDAYPS-VXGBXAGGSA-N 2 1 256.296 2.003 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236763178 370621949 /nfs/dbraw/zinc/62/19/49/370621949.db2.gz FTUGSALJKWNIBS-GOEBONIOSA-N 2 1 291.439 2.141 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCO2)[C@@H](C)C1 ZINC000638594255 370625048 /nfs/dbraw/zinc/62/50/48/370625048.db2.gz FCVPPRYBKCCPLV-BBWFWOEESA-N 2 1 298.471 2.282 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)c2C1 ZINC000236812319 370632929 /nfs/dbraw/zinc/63/29/29/370632929.db2.gz QQSRJDVAFGNRHY-TZMCWYRMSA-N 2 1 287.407 2.478 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)c2C1 ZINC000236812319 370632934 /nfs/dbraw/zinc/63/29/34/370632934.db2.gz QQSRJDVAFGNRHY-TZMCWYRMSA-N 2 1 287.407 2.478 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000356280571 370639775 /nfs/dbraw/zinc/63/97/75/370639775.db2.gz MVTIPRPNNXRUDB-AWEZNQCLSA-N 2 1 283.460 2.096 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)[C@H](C)C1 ZINC000358291019 370996391 /nfs/dbraw/zinc/99/63/91/370996391.db2.gz FQVQFHFKMMZPNM-ILXRZTDVSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)OC ZINC000639122914 371000423 /nfs/dbraw/zinc/00/04/23/371000423.db2.gz UOQATPUUAIILLB-HRCADAONSA-N 2 1 286.460 2.138 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCSCC(F)(F)F)CC[N@H+]1C ZINC000358302080 371002323 /nfs/dbraw/zinc/00/23/23/371002323.db2.gz SGBRUSZJKNXYQR-UWVGGRQHSA-N 2 1 270.364 2.354 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCSCC(F)(F)F)CC[N@H+]1C ZINC000358302081 371002472 /nfs/dbraw/zinc/00/24/72/371002472.db2.gz SGBRUSZJKNXYQR-VHSXEESVSA-N 2 1 270.364 2.354 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000358306367 371004981 /nfs/dbraw/zinc/00/49/81/371004981.db2.gz ZSECYFAZXWKYJM-AVVWSFFYSA-N 2 1 294.826 2.242 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000358306367 371004984 /nfs/dbraw/zinc/00/49/84/371004984.db2.gz ZSECYFAZXWKYJM-AVVWSFFYSA-N 2 1 294.826 2.242 20 0 CEADMP Cc1cnc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000246793949 371012584 /nfs/dbraw/zinc/01/25/84/371012584.db2.gz MLTFYNYDRYJSMY-DZGCQCFKSA-N 2 1 275.396 2.432 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000358329043 371015837 /nfs/dbraw/zinc/01/58/37/371015837.db2.gz MYGXZNZRBUMVME-YESZJQIVSA-N 2 1 281.488 2.284 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000358329043 371015840 /nfs/dbraw/zinc/01/58/40/371015840.db2.gz MYGXZNZRBUMVME-YESZJQIVSA-N 2 1 281.488 2.284 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000358329043 371015841 /nfs/dbraw/zinc/01/58/41/371015841.db2.gz MYGXZNZRBUMVME-YESZJQIVSA-N 2 1 281.488 2.284 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)C12CCC2 ZINC000246831871 371016800 /nfs/dbraw/zinc/01/68/00/371016800.db2.gz JQLSRUZUTLLASP-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)C1(C)C ZINC000246929883 371033307 /nfs/dbraw/zinc/03/33/07/371033307.db2.gz NPVVDROYLMREOO-MGPQQGTHSA-N 2 1 254.418 2.121 20 0 CEADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC2CCSCC2)C1 ZINC000639177619 371056044 /nfs/dbraw/zinc/05/60/44/371056044.db2.gz WIXVKVANLWLNHR-CYBMUJFWSA-N 2 1 265.426 2.353 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(F)c2N)C1 ZINC000639177736 371056415 /nfs/dbraw/zinc/05/64/15/371056415.db2.gz FNZMGQWYKKVOJO-SWLSCSKDSA-N 2 1 277.387 2.324 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCC2CCOCC2)C1 ZINC000639178322 371057011 /nfs/dbraw/zinc/05/70/11/371057011.db2.gz KDEDXADEAIYBOC-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CCC2CCOCC2)C1 ZINC000639178322 371057014 /nfs/dbraw/zinc/05/70/14/371057014.db2.gz KDEDXADEAIYBOC-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CCC2CCOCC2)C1 ZINC000639178322 371057018 /nfs/dbraw/zinc/05/70/18/371057018.db2.gz KDEDXADEAIYBOC-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(C3CC3)no2)C1 ZINC000639179357 371057089 /nfs/dbraw/zinc/05/70/89/371057089.db2.gz SFTNBPZDMJVZNO-XJKSGUPXSA-N 2 1 275.396 2.468 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(C3CC3)no2)C1 ZINC000639179357 371057091 /nfs/dbraw/zinc/05/70/91/371057091.db2.gz SFTNBPZDMJVZNO-XJKSGUPXSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(C3CC3)no2)C1 ZINC000639179357 371057096 /nfs/dbraw/zinc/05/70/96/371057096.db2.gz SFTNBPZDMJVZNO-XJKSGUPXSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(C3CC3)no2)C1 ZINC000639179357 371057100 /nfs/dbraw/zinc/05/71/00/371057100.db2.gz SFTNBPZDMJVZNO-XJKSGUPXSA-N 2 1 275.396 2.468 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000247060889 371057999 /nfs/dbraw/zinc/05/79/99/371057999.db2.gz NUKGRXYWHVRMRV-FUHWJXTLSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000247060889 371058004 /nfs/dbraw/zinc/05/80/04/371058004.db2.gz NUKGRXYWHVRMRV-FUHWJXTLSA-N 2 1 289.467 2.438 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639198812 371084155 /nfs/dbraw/zinc/08/41/55/371084155.db2.gz SRLBJCPBUPRDKH-QLFBSQMISA-N 2 1 283.460 2.144 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639198812 371084157 /nfs/dbraw/zinc/08/41/57/371084157.db2.gz SRLBJCPBUPRDKH-QLFBSQMISA-N 2 1 283.460 2.144 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC1CCSCC1 ZINC000639177044 371053161 /nfs/dbraw/zinc/05/31/61/371053161.db2.gz AENJCONXERTXDM-GXTWGEPZSA-N 2 1 256.459 2.402 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC1CCSCC1 ZINC000639177044 371053167 /nfs/dbraw/zinc/05/31/67/371053167.db2.gz AENJCONXERTXDM-GXTWGEPZSA-N 2 1 256.459 2.402 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC1CCSCC1 ZINC000639177044 371053170 /nfs/dbraw/zinc/05/31/70/371053170.db2.gz AENJCONXERTXDM-GXTWGEPZSA-N 2 1 256.459 2.402 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC1CCSCC1 ZINC000639177044 371053175 /nfs/dbraw/zinc/05/31/75/371053175.db2.gz AENJCONXERTXDM-GXTWGEPZSA-N 2 1 256.459 2.402 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@]12CCCO2 ZINC000639244807 371141409 /nfs/dbraw/zinc/14/14/09/371141409.db2.gz PWAJGJNJADSNQB-GVDBMIGSSA-N 2 1 296.455 2.177 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000247501727 371117666 /nfs/dbraw/zinc/11/76/66/371117666.db2.gz LTVNZWVBGIRVOT-FUHWJXTLSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000247501727 371117668 /nfs/dbraw/zinc/11/76/68/371117668.db2.gz LTVNZWVBGIRVOT-FUHWJXTLSA-N 2 1 288.435 2.446 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000358680440 371170942 /nfs/dbraw/zinc/17/09/42/371170942.db2.gz NZWBUJQSPKRMIK-IYBDPMFKSA-N 2 1 297.487 2.440 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248129996 371163588 /nfs/dbraw/zinc/16/35/88/371163588.db2.gz OHXLNPDJVVMJJM-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP CCCCOC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248129996 371163591 /nfs/dbraw/zinc/16/35/91/371163591.db2.gz OHXLNPDJVVMJJM-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP CCCCOC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248129996 371163598 /nfs/dbraw/zinc/16/35/98/371163598.db2.gz OHXLNPDJVVMJJM-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248396793 371185963 /nfs/dbraw/zinc/18/59/63/371185963.db2.gz HJNWEOHSJZKWAD-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248396793 371185966 /nfs/dbraw/zinc/18/59/66/371185966.db2.gz HJNWEOHSJZKWAD-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248396793 371185971 /nfs/dbraw/zinc/18/59/71/371185971.db2.gz HJNWEOHSJZKWAD-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000639305715 371211929 /nfs/dbraw/zinc/21/19/29/371211929.db2.gz WATSQZWYNNDMAS-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000639305715 371211930 /nfs/dbraw/zinc/21/19/30/371211930.db2.gz WATSQZWYNNDMAS-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP CC1(C)CC[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)O1 ZINC000248564717 371213642 /nfs/dbraw/zinc/21/36/42/371213642.db2.gz IAVMUGZYMLCETN-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP OCCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248655961 371232155 /nfs/dbraw/zinc/23/21/55/371232155.db2.gz CEVDKSRVUIVCOU-KZNAEPCWSA-N 2 1 288.435 2.259 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCC[C@@H](C)C1 ZINC000248761813 371243600 /nfs/dbraw/zinc/24/36/00/371243600.db2.gz DSMSPIDSDTZODA-DQIHPLBOSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+]1CCC[C@@H](C)C1 ZINC000248761813 371243604 /nfs/dbraw/zinc/24/36/04/371243604.db2.gz DSMSPIDSDTZODA-DQIHPLBOSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+]1CCC[C@@H](C)C1 ZINC000248761813 371243609 /nfs/dbraw/zinc/24/36/09/371243609.db2.gz DSMSPIDSDTZODA-DQIHPLBOSA-N 2 1 279.472 2.322 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000353288949 220011155 /nfs/dbraw/zinc/01/11/55/220011155.db2.gz SVNAYDGZBZLHRG-LLVKDONJSA-N 2 1 269.352 2.419 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CSC1 ZINC000639360330 371271725 /nfs/dbraw/zinc/27/17/25/371271725.db2.gz VLZJLPJRVQBXEJ-DZGCQCFKSA-N 2 1 276.449 2.460 20 0 CEADMP FC(F)COCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249271645 371309155 /nfs/dbraw/zinc/30/91/55/371309155.db2.gz JGVPNPKNHARTSH-GXTWGEPZSA-N 2 1 288.382 2.217 20 0 CEADMP FC(F)COCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249271645 371309160 /nfs/dbraw/zinc/30/91/60/371309160.db2.gz JGVPNPKNHARTSH-GXTWGEPZSA-N 2 1 288.382 2.217 20 0 CEADMP FC(F)COCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249271645 371309167 /nfs/dbraw/zinc/30/91/67/371309167.db2.gz JGVPNPKNHARTSH-GXTWGEPZSA-N 2 1 288.382 2.217 20 0 CEADMP FC(F)COCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000249271645 371309171 /nfs/dbraw/zinc/30/91/71/371309171.db2.gz JGVPNPKNHARTSH-GXTWGEPZSA-N 2 1 288.382 2.217 20 0 CEADMP CC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000639472215 371346599 /nfs/dbraw/zinc/34/65/99/371346599.db2.gz JIGOUCBHSLJQFT-UHFFFAOYSA-N 2 1 274.408 2.419 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000250649283 371388773 /nfs/dbraw/zinc/38/87/73/371388773.db2.gz OOJFUHFNAZWNGH-BZSNNMDCSA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000250649283 371388779 /nfs/dbraw/zinc/38/87/79/371388779.db2.gz OOJFUHFNAZWNGH-BZSNNMDCSA-N 2 1 287.451 2.368 20 0 CEADMP CC(C)(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250716158 371389729 /nfs/dbraw/zinc/38/97/29/371389729.db2.gz UAVVNCFIZYJOJY-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000639508252 371370652 /nfs/dbraw/zinc/37/06/52/371370652.db2.gz UTCVSYQQABTTHR-SOUVJXGZSA-N 2 1 254.418 2.075 20 0 CEADMP Cc1ncsc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252513512 371451904 /nfs/dbraw/zinc/45/19/04/371451904.db2.gz VCGGXLRKCOPXCN-RYUDHWBXSA-N 2 1 251.399 2.168 20 0 CEADMP Cc1ncsc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252513512 371451912 /nfs/dbraw/zinc/45/19/12/371451912.db2.gz VCGGXLRKCOPXCN-RYUDHWBXSA-N 2 1 251.399 2.168 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000252564388 371457280 /nfs/dbraw/zinc/45/72/80/371457280.db2.gz XYYRPBFKRXHIFP-AEGPPILISA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000252564388 371457285 /nfs/dbraw/zinc/45/72/85/371457285.db2.gz XYYRPBFKRXHIFP-AEGPPILISA-N 2 1 252.402 2.018 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000252779656 371478539 /nfs/dbraw/zinc/47/85/39/371478539.db2.gz QAFAOYXBHYOFEV-KBPBESRZSA-N 2 1 278.396 2.133 20 0 CEADMP CCn1nc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c2ccccc21 ZINC000252792422 371479744 /nfs/dbraw/zinc/47/97/44/371479744.db2.gz VMKYNOJJYOVVCE-STQMWFEESA-N 2 1 272.396 2.225 20 0 CEADMP CCn1nc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c2ccccc21 ZINC000252792422 371479749 /nfs/dbraw/zinc/47/97/49/371479749.db2.gz VMKYNOJJYOVVCE-STQMWFEESA-N 2 1 272.396 2.225 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000252844565 371482124 /nfs/dbraw/zinc/48/21/24/371482124.db2.gz DRHPCNUQJZOMSM-YDHLFZDLSA-N 2 1 278.371 2.394 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000252844564 371482443 /nfs/dbraw/zinc/48/24/43/371482443.db2.gz DRHPCNUQJZOMSM-KCQAQPDRSA-N 2 1 278.371 2.394 20 0 CEADMP COc1ccc(OC)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000253185339 371501661 /nfs/dbraw/zinc/50/16/61/371501661.db2.gz ICOGKTLVZAPZHC-TZMCWYRMSA-N 2 1 278.396 2.121 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000253185339 371501665 /nfs/dbraw/zinc/50/16/65/371501665.db2.gz ICOGKTLVZAPZHC-TZMCWYRMSA-N 2 1 278.396 2.121 20 0 CEADMP COc1ccncc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756210 371547002 /nfs/dbraw/zinc/54/70/02/371547002.db2.gz RRFSGTQBSODJIB-UHFFFAOYSA-N 2 1 275.396 2.008 20 0 CEADMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759850 371548070 /nfs/dbraw/zinc/54/80/70/371548070.db2.gz LPMASBKCKCRBJX-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639765268 371552985 /nfs/dbraw/zinc/55/29/85/371552985.db2.gz XVHHVLNIEUNZBJ-DOTOQJQBSA-N 2 1 276.424 2.179 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000359972301 371495843 /nfs/dbraw/zinc/49/58/43/371495843.db2.gz VRQHIXKWQZEFDM-ZMSDIMECSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000359972301 371495846 /nfs/dbraw/zinc/49/58/46/371495846.db2.gz VRQHIXKWQZEFDM-ZMSDIMECSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000261588172 371665170 /nfs/dbraw/zinc/66/51/70/371665170.db2.gz KATUGXZPJCAENI-VNHYZAJKSA-N 2 1 264.417 2.382 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000261561266 371649436 /nfs/dbraw/zinc/64/94/36/371649436.db2.gz FTNDRWFIWJUKMX-AWEZNQCLSA-N 2 1 268.788 2.390 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000261561266 371649445 /nfs/dbraw/zinc/64/94/45/371649445.db2.gz FTNDRWFIWJUKMX-AWEZNQCLSA-N 2 1 268.788 2.390 20 0 CEADMP COc1cccc([C@@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261575320 371657264 /nfs/dbraw/zinc/65/72/64/371657264.db2.gz BLPKGIUSKTZPJW-CZUORRHYSA-N 2 1 260.381 2.442 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000261691124 371703760 /nfs/dbraw/zinc/70/37/60/371703760.db2.gz IMIPVXUUZZIEQE-UONOGXRCSA-N 2 1 283.460 2.131 20 0 CEADMP CC[N@H+](C[C@H]1COc2ccccc2O1)C[C@@]1(C)CC[NH2+]C1 ZINC000261703817 371706245 /nfs/dbraw/zinc/70/62/45/371706245.db2.gz CVZKKKXMVAVQHY-YOEHRIQHSA-N 2 1 290.407 2.148 20 0 CEADMP CC[N@@H+](C[C@H]1COc2ccccc2O1)C[C@@]1(C)CC[NH2+]C1 ZINC000261703817 371706250 /nfs/dbraw/zinc/70/62/50/371706250.db2.gz CVZKKKXMVAVQHY-YOEHRIQHSA-N 2 1 290.407 2.148 20 0 CEADMP COc1ccccc1/C=C/C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261705212 371706842 /nfs/dbraw/zinc/70/68/42/371706842.db2.gz IHWPBCSKULEMBX-YERXGYGTSA-N 2 1 260.381 2.379 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261705212 371706848 /nfs/dbraw/zinc/70/68/48/371706848.db2.gz IHWPBCSKULEMBX-YERXGYGTSA-N 2 1 260.381 2.379 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000361219128 371721877 /nfs/dbraw/zinc/72/18/77/371721877.db2.gz AJLGVBSWVWOSGD-ZACQAIPSSA-N 2 1 276.424 2.225 20 0 CEADMP C[NH2+]C1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000261756535 371722247 /nfs/dbraw/zinc/72/22/47/371722247.db2.gz NLBVMAASYYRMBQ-UHFFFAOYSA-N 2 1 295.814 2.352 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000261756435 371722559 /nfs/dbraw/zinc/72/25/59/371722559.db2.gz NIYLBMMCQHQLRD-OWCLPIDISA-N 3 1 276.428 2.092 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@](C)(C[NH3+])C2)o1 ZINC000261769508 371726327 /nfs/dbraw/zinc/72/63/27/371726327.db2.gz SCGRACRBYOGGAW-OAHLLOKOSA-N 2 1 274.368 2.149 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@](C)(C[NH3+])C2)o1 ZINC000261769508 371726338 /nfs/dbraw/zinc/72/63/38/371726338.db2.gz SCGRACRBYOGGAW-OAHLLOKOSA-N 2 1 274.368 2.149 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@@H]21 ZINC000261813948 371740167 /nfs/dbraw/zinc/74/01/67/371740167.db2.gz AGBNRUCEIASUSM-RYQLBKOJSA-N 2 1 296.418 2.432 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1(C)C ZINC000361235933 371730029 /nfs/dbraw/zinc/73/00/29/371730029.db2.gz GCQAHAXHZVUDSK-CABCVRRESA-N 2 1 266.429 2.430 20 0 CEADMP c1cnc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2c1 ZINC000261832354 371745615 /nfs/dbraw/zinc/74/56/15/371745615.db2.gz UXDGLJUKPZSKSH-DOTOQJQBSA-N 2 1 267.376 2.419 20 0 CEADMP c1cnc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2c1 ZINC000261832354 371745623 /nfs/dbraw/zinc/74/56/23/371745623.db2.gz UXDGLJUKPZSKSH-DOTOQJQBSA-N 2 1 267.376 2.419 20 0 CEADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261841095 371747950 /nfs/dbraw/zinc/74/79/50/371747950.db2.gz VPSPQCJZVIMAEG-SJORKVTESA-N 2 1 273.424 2.117 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000261870497 371754279 /nfs/dbraw/zinc/75/42/79/371754279.db2.gz QPXWIDDMRMHVPB-CABCVRRESA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000361301728 371769036 /nfs/dbraw/zinc/76/90/36/371769036.db2.gz QTWRSLVTZOIZHH-KFWWJZLASA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)CC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000361301728 371769039 /nfs/dbraw/zinc/76/90/39/371769039.db2.gz QTWRSLVTZOIZHH-KFWWJZLASA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)CC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361301728 371769043 /nfs/dbraw/zinc/76/90/43/371769043.db2.gz QTWRSLVTZOIZHH-KFWWJZLASA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)CC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361301728 371769047 /nfs/dbraw/zinc/76/90/47/371769047.db2.gz QTWRSLVTZOIZHH-KFWWJZLASA-N 2 1 256.434 2.198 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261989832 371792909 /nfs/dbraw/zinc/79/29/09/371792909.db2.gz SEYMRFDADMETDG-CABCVRRESA-N 2 1 284.407 2.350 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261989832 371792915 /nfs/dbraw/zinc/79/29/15/371792915.db2.gz SEYMRFDADMETDG-CABCVRRESA-N 2 1 284.407 2.350 20 0 CEADMP Cn1cc(-c2ccc(C[N@H+](C)C3CC[NH2+]CC3)s2)cn1 ZINC000261936962 371777613 /nfs/dbraw/zinc/77/76/13/371777613.db2.gz MEAOEEBNNFWVNH-UHFFFAOYSA-N 2 1 290.436 2.332 20 0 CEADMP Cn1cc(-c2ccc(C[N@@H+](C)C3CC[NH2+]CC3)s2)cn1 ZINC000261936962 371777624 /nfs/dbraw/zinc/77/76/24/371777624.db2.gz MEAOEEBNNFWVNH-UHFFFAOYSA-N 2 1 290.436 2.332 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000261936996 371777837 /nfs/dbraw/zinc/77/78/37/371777837.db2.gz MFBCALPTQSBTKQ-OAHLLOKOSA-N 2 1 284.407 2.433 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)CC[C@@H]1[NH3+] ZINC000261953981 371784037 /nfs/dbraw/zinc/78/40/37/371784037.db2.gz OIDYBJKHAPEFKZ-FZMZJTMJSA-N 2 1 290.436 2.318 20 0 CEADMP CCC[N@@H+](CC)CCCN1CC[NH+](C(C)C)CC1 ZINC000337322411 214006508 /nfs/dbraw/zinc/00/65/08/214006508.db2.gz DACSOSYNGHODBJ-UHFFFAOYSA-N 2 1 255.450 2.134 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000353345825 220037375 /nfs/dbraw/zinc/03/73/75/220037375.db2.gz LLZPJGQCULGYBG-MGPQQGTHSA-N 2 1 282.428 2.323 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000353345825 220037378 /nfs/dbraw/zinc/03/73/78/220037378.db2.gz LLZPJGQCULGYBG-MGPQQGTHSA-N 2 1 282.428 2.323 20 0 CEADMP c1ccc([C@@H]2COCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262302282 371849160 /nfs/dbraw/zinc/84/91/60/371849160.db2.gz XSOYIDSLTVHTPJ-INIZCTEOSA-N 2 1 260.381 2.060 20 0 CEADMP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CCCn2nccc21 ZINC000640216516 371873570 /nfs/dbraw/zinc/87/35/70/371873570.db2.gz BKZHEPMHMHHBDS-UONOGXRCSA-N 2 1 262.401 2.182 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CCCn2nccc21 ZINC000640216516 371873577 /nfs/dbraw/zinc/87/35/77/371873577.db2.gz BKZHEPMHMHHBDS-UONOGXRCSA-N 2 1 262.401 2.182 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(-n2ccnc2)c1 ZINC000361493157 371875947 /nfs/dbraw/zinc/87/59/47/371875947.db2.gz QEKVSEOEGTUKLM-RHSMWYFYSA-N 2 1 284.407 2.302 20 0 CEADMP Cc1cccc(NC2CC[NH+](CCCCO)CC2)[nH+]1 ZINC000361503595 371883458 /nfs/dbraw/zinc/88/34/58/371883458.db2.gz NZEDJBVPFYRHFY-UHFFFAOYSA-N 2 1 263.385 2.039 20 0 CEADMP CC(C)[C@H]1CN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH+]1C ZINC000640141096 371840125 /nfs/dbraw/zinc/84/01/25/371840125.db2.gz WVJCDRAFZSUVQJ-IXDOHACOSA-N 2 1 281.488 2.236 20 0 CEADMP CC(C)[C@H]1CN(CC[NH+]2C[C@H](C)C[C@H](C)C2)CC[N@@H+]1C ZINC000640141096 371840132 /nfs/dbraw/zinc/84/01/32/371840132.db2.gz WVJCDRAFZSUVQJ-IXDOHACOSA-N 2 1 281.488 2.236 20 0 CEADMP CC(C)[C@H]1CN(CC[NH+]2C[C@H](C)C[C@H](C)C2)CC[N@H+]1C ZINC000640141096 371840141 /nfs/dbraw/zinc/84/01/41/371840141.db2.gz WVJCDRAFZSUVQJ-IXDOHACOSA-N 2 1 281.488 2.236 20 0 CEADMP CC[N@@H+]1C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C)C1 ZINC000361528009 371898896 /nfs/dbraw/zinc/89/88/96/371898896.db2.gz UMGDAPWPNZXRSD-KKUMJFAQSA-N 2 1 269.477 2.283 20 0 CEADMP CCN1C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C)C1 ZINC000361528009 371898899 /nfs/dbraw/zinc/89/88/99/371898899.db2.gz UMGDAPWPNZXRSD-KKUMJFAQSA-N 2 1 269.477 2.283 20 0 CEADMP Cn1nccc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532975 372021915 /nfs/dbraw/zinc/02/19/15/372021915.db2.gz LWOMXJMJGANRKZ-UHFFFAOYSA-N 2 1 264.417 2.118 20 0 CEADMP COc1cncc(C[N@@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640534726 372024549 /nfs/dbraw/zinc/02/45/49/372024549.db2.gz TXBNTJLYLAZAHB-UHFFFAOYSA-N 2 1 292.427 2.183 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000361803651 372080170 /nfs/dbraw/zinc/08/01/70/372080170.db2.gz HWIVPNMRJZLRGD-STQMWFEESA-N 2 1 270.417 2.038 20 0 CEADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000344203480 217096705 /nfs/dbraw/zinc/09/67/05/217096705.db2.gz OZJMAOCQCXMTMQ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+](CCCN[C@@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000361816345 372083176 /nfs/dbraw/zinc/08/31/76/372083176.db2.gz XZRUJDWWSHYWQV-HZPDHXFCSA-N 3 1 269.477 2.425 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)C(C)C ZINC000361816345 372083182 /nfs/dbraw/zinc/08/31/82/372083182.db2.gz XZRUJDWWSHYWQV-HZPDHXFCSA-N 3 1 269.477 2.425 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000361816345 372083191 /nfs/dbraw/zinc/08/31/91/372083191.db2.gz XZRUJDWWSHYWQV-HZPDHXFCSA-N 3 1 269.477 2.425 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000268782789 372219983 /nfs/dbraw/zinc/21/99/83/372219983.db2.gz CPSBTEFITSHISM-FKIZINRSSA-N 2 1 291.420 2.280 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(F)cc2)CC[N@H+]1C ZINC000268783725 372220291 /nfs/dbraw/zinc/22/02/91/372220291.db2.gz BNCGFULUNLSPQL-OCCSQVGLSA-N 2 1 266.360 2.277 20 0 CEADMP COc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000268786167 372222451 /nfs/dbraw/zinc/22/24/51/372222451.db2.gz ZYYDSKGBLWESBN-NSNWQYSKSA-N 2 1 292.423 2.047 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1C ZINC000268811044 372234250 /nfs/dbraw/zinc/23/42/50/372234250.db2.gz FBCFUZINZDAXRK-WBVHZDCISA-N 2 1 276.424 2.411 20 0 CEADMP Cc1cccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1C ZINC000268836389 372248656 /nfs/dbraw/zinc/24/86/56/372248656.db2.gz LXYJOSIVJBTNNF-CVEARBPZSA-N 2 1 276.424 2.411 20 0 CEADMP CC[NH+](CC)Cc1cn(C[C@H]2CCCC[N@@H+]2C(C)C)nn1 ZINC000641167564 372362543 /nfs/dbraw/zinc/36/25/43/372362543.db2.gz QYEZXMUQDINLLH-MRXNPFEDSA-N 2 1 293.459 2.383 20 0 CEADMP CC[NH+](CC)Cc1cn(C[C@H]2CCCC[N@H+]2C(C)C)nn1 ZINC000641167564 372362549 /nfs/dbraw/zinc/36/25/49/372362549.db2.gz QYEZXMUQDINLLH-MRXNPFEDSA-N 2 1 293.459 2.383 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000344368070 217170638 /nfs/dbraw/zinc/17/06/38/217170638.db2.gz COFBBQKYJXNXGP-KFWWJZLASA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000362699084 372492489 /nfs/dbraw/zinc/49/24/89/372492489.db2.gz SJWXVEVQWSETTQ-BXUZGUMPSA-N 2 1 284.363 2.213 20 0 CEADMP CN(C)c1nc(N(C)CCCC[NH+]2CCCCC2)cc[nH+]1 ZINC000641717650 372654189 /nfs/dbraw/zinc/65/41/89/372654189.db2.gz FHQVWTNCRRIVEB-UHFFFAOYSA-N 2 1 291.443 2.245 20 0 CEADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1CCC[NH+]1CCCC1 ZINC000364060626 372656315 /nfs/dbraw/zinc/65/63/15/372656315.db2.gz WREIHRDVLVEOOP-CVEARBPZSA-N 2 1 265.445 2.031 20 0 CEADMP CC(C)(C)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344526218 217219859 /nfs/dbraw/zinc/21/98/59/217219859.db2.gz JHAYPTRPZSVQMW-QGZVFWFLSA-N 2 1 276.424 2.259 20 0 CEADMP CC(C)(C)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344526218 217219862 /nfs/dbraw/zinc/21/98/62/217219862.db2.gz JHAYPTRPZSVQMW-QGZVFWFLSA-N 2 1 276.424 2.259 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000641774794 372719913 /nfs/dbraw/zinc/71/99/13/372719913.db2.gz HTYFPUNVQQFXDR-HZPDHXFCSA-N 2 1 262.397 2.040 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000641774793 372720163 /nfs/dbraw/zinc/72/01/63/372720163.db2.gz HTYFPUNVQQFXDR-HOTGVXAUSA-N 2 1 262.397 2.040 20 0 CEADMP COc1cc(C)nc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000270290330 372731416 /nfs/dbraw/zinc/73/14/16/372731416.db2.gz NHIPVLALCFINJM-DZGCQCFKSA-N 2 1 277.412 2.313 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc(C)s2)[C@H](C)C1 ZINC000344528175 217222945 /nfs/dbraw/zinc/22/29/45/217222945.db2.gz BJPWTECZRSAGQY-ZWNOBZJWSA-N 2 1 253.415 2.271 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnc(C)s2)[C@H](C)C1 ZINC000344528175 217222947 /nfs/dbraw/zinc/22/29/47/217222947.db2.gz BJPWTECZRSAGQY-ZWNOBZJWSA-N 2 1 253.415 2.271 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1c(C)cccc1C ZINC000641771423 372713346 /nfs/dbraw/zinc/71/33/46/372713346.db2.gz HXEHJPIKOQHOIJ-INIZCTEOSA-N 2 1 278.440 2.486 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000641799359 372739790 /nfs/dbraw/zinc/73/97/90/372739790.db2.gz VJIYKYQGPAGBSS-MJBXVCDLSA-N 2 1 277.412 2.495 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)sn1 ZINC000641798545 372740402 /nfs/dbraw/zinc/74/04/02/372740402.db2.gz JNVJYOXJYNPYJY-STQMWFEESA-N 2 1 265.426 2.355 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000641803899 372747610 /nfs/dbraw/zinc/74/76/10/372747610.db2.gz FXLASIKTRCFUMX-CTTWBBHYSA-N 2 1 295.471 2.031 20 0 CEADMP C[C@H](CCN[C@@H]1C[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000344608951 217247281 /nfs/dbraw/zinc/24/72/81/217247281.db2.gz HENBMMXLFUTDQZ-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CCN[C@@H]1C[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000344608951 217247283 /nfs/dbraw/zinc/24/72/83/217247283.db2.gz HENBMMXLFUTDQZ-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CCN[C@@H]1C[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000344608951 217247285 /nfs/dbraw/zinc/24/72/85/217247285.db2.gz HENBMMXLFUTDQZ-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CC[NH2+][C@@H]1CN(C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000344608951 217247286 /nfs/dbraw/zinc/24/72/86/217247286.db2.gz HENBMMXLFUTDQZ-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CC[NH2+][C@@H]1CN(C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000344608951 217247287 /nfs/dbraw/zinc/24/72/87/217247287.db2.gz HENBMMXLFUTDQZ-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000344628818 217255741 /nfs/dbraw/zinc/25/57/41/217255741.db2.gz AXOXSFRVTCWVOV-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344628818 217255742 /nfs/dbraw/zinc/25/57/42/217255742.db2.gz AXOXSFRVTCWVOV-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344628818 217255743 /nfs/dbraw/zinc/25/57/43/217255743.db2.gz AXOXSFRVTCWVOV-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP c1cc(N2CC[NH+](CCOCC3CCC3)CC2)cc[nH+]1 ZINC000642693571 372865734 /nfs/dbraw/zinc/86/57/34/372865734.db2.gz SKPDJPHSFHYORF-UHFFFAOYSA-N 2 1 275.396 2.020 20 0 CEADMP c1n[nH]c2c1CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000333268008 205168422 /nfs/dbraw/zinc/16/84/22/205168422.db2.gz JXCJWVNQIXEWSO-XUWVNRHRSA-N 2 1 288.439 2.167 20 0 CEADMP CC[C@H](C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[NH+](CC)CC ZINC000344651729 217262007 /nfs/dbraw/zinc/26/20/07/217262007.db2.gz ZXTFMRVMTONZME-CABCVRRESA-N 2 1 297.487 2.343 20 0 CEADMP Cc1cc(N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc(C)[nH+]1 ZINC000643044019 372932880 /nfs/dbraw/zinc/93/28/80/372932880.db2.gz MBLSTXZCOSIRRW-LSDHHAIUSA-N 2 1 274.412 2.309 20 0 CEADMP COc1ccc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000643056227 372936494 /nfs/dbraw/zinc/93/64/94/372936494.db2.gz KKHNZPAWINLZTE-ZDUSSCGKSA-N 2 1 278.396 2.135 20 0 CEADMP Cc1nc([C@H]2CCCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)no1 ZINC000643057194 372938968 /nfs/dbraw/zinc/93/89/68/372938968.db2.gz XXJWSIJVEHYOCS-UONOGXRCSA-N 2 1 278.400 2.295 20 0 CEADMP Cc1nc([C@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)no1 ZINC000643057194 372938972 /nfs/dbraw/zinc/93/89/72/372938972.db2.gz XXJWSIJVEHYOCS-UONOGXRCSA-N 2 1 278.400 2.295 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCCC[NH+](C(C)C)C(C)C)C1 ZINC000344729430 217292354 /nfs/dbraw/zinc/29/23/54/217292354.db2.gz XPLHYTVWIZRANN-JKSUJKDBSA-N 2 1 269.477 2.425 20 0 CEADMP C[C@H](CC1CC1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344747742 217298206 /nfs/dbraw/zinc/29/82/06/217298206.db2.gz NNZQVZSPRULTDT-QAPCUYQASA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H](CC1CC1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344747742 217298208 /nfs/dbraw/zinc/29/82/08/217298208.db2.gz NNZQVZSPRULTDT-QAPCUYQASA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H](CC1CC1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344747743 217298594 /nfs/dbraw/zinc/29/85/94/217298594.db2.gz NNZQVZSPRULTDT-YJBOKZPZSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H](CC1CC1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344747743 217298597 /nfs/dbraw/zinc/29/85/97/217298597.db2.gz NNZQVZSPRULTDT-YJBOKZPZSA-N 2 1 288.435 2.402 20 0 CEADMP CN(C(=[NH2+])NC[C@H]1CCC[N@H+]1C1CCCCC1)C1CC1 ZINC000366615642 373091048 /nfs/dbraw/zinc/09/10/48/373091048.db2.gz CBPGRVMZJYUPJD-OAHLLOKOSA-N 2 1 278.444 2.402 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc3c(s2)CCC3)C[C@@H]1C[NH3+] ZINC000643427640 373115317 /nfs/dbraw/zinc/11/53/17/373115317.db2.gz HAWLFXAXEZFSDQ-UTUOFQBUSA-N 2 1 279.453 2.437 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc3c(s2)CCC3)C[C@@H]1C[NH3+] ZINC000643427640 373115322 /nfs/dbraw/zinc/11/53/22/373115322.db2.gz HAWLFXAXEZFSDQ-UTUOFQBUSA-N 2 1 279.453 2.437 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](CC)OC)[C@@H](C)C1 ZINC000353559916 220157618 /nfs/dbraw/zinc/15/76/18/220157618.db2.gz MKSLPPRIWTVEQB-XHSDSOJGSA-N 2 1 286.460 2.138 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000643466578 373134556 /nfs/dbraw/zinc/13/45/56/373134556.db2.gz CNZSBBBRVDCLHI-RDBSUJKOSA-N 2 1 254.418 2.169 20 0 CEADMP CSC1(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000368019171 373212623 /nfs/dbraw/zinc/21/26/23/373212623.db2.gz KZIXYXKOJNGNIJ-HZSPNIEDSA-N 2 1 284.469 2.066 20 0 CEADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cn1 ZINC000643523051 373177721 /nfs/dbraw/zinc/17/77/21/373177721.db2.gz VWSCECFPVIZDHT-STQMWFEESA-N 2 1 251.349 2.404 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000643542240 373200781 /nfs/dbraw/zinc/20/07/81/373200781.db2.gz GFSACNFSIOCGKK-IAGOWNOFSA-N 2 1 273.424 2.021 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548467 373205224 /nfs/dbraw/zinc/20/52/24/373205224.db2.gz PWMIXDVHUPAKSI-GXTWGEPZSA-N 2 1 274.412 2.062 20 0 CEADMP CC(C)NC(=O)C[N@H+]1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000369032315 373317670 /nfs/dbraw/zinc/31/76/70/373317670.db2.gz HOUYMBKYZJYXSX-AWEZNQCLSA-N 2 1 292.427 2.168 20 0 CEADMP CC(C)NC(=O)CN1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000369032315 373317674 /nfs/dbraw/zinc/31/76/74/373317674.db2.gz HOUYMBKYZJYXSX-AWEZNQCLSA-N 2 1 292.427 2.168 20 0 CEADMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000369053212 373322715 /nfs/dbraw/zinc/32/27/15/373322715.db2.gz CEZZEEMAHWUQDV-KBPBESRZSA-N 2 1 292.427 2.120 20 0 CEADMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000369053212 373322732 /nfs/dbraw/zinc/32/27/32/373322732.db2.gz CEZZEEMAHWUQDV-KBPBESRZSA-N 2 1 292.427 2.120 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnc4cnccn34)C2)CC1 ZINC000369202466 373358975 /nfs/dbraw/zinc/35/89/75/373358975.db2.gz ILZKMUBJXVHRQO-UHFFFAOYSA-N 2 1 299.422 2.037 20 0 CEADMP FC(F)(F)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000369583680 373461884 /nfs/dbraw/zinc/46/18/84/373461884.db2.gz JOJOBWRIAAHSIO-LLVKDONJSA-N 2 1 250.308 2.357 20 0 CEADMP FC(F)(F)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000369583680 373461891 /nfs/dbraw/zinc/46/18/91/373461891.db2.gz JOJOBWRIAAHSIO-LLVKDONJSA-N 2 1 250.308 2.357 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000644555391 373529859 /nfs/dbraw/zinc/52/98/59/373529859.db2.gz ZQAUIZMUFIPXGQ-WDEREUQCSA-N 2 1 277.368 2.382 20 0 CEADMP CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644661497 373589362 /nfs/dbraw/zinc/58/93/62/373589362.db2.gz LESYOVAXVNJCDL-BZSNNMDCSA-N 2 1 290.451 2.361 20 0 CEADMP CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644661497 373589372 /nfs/dbraw/zinc/58/93/72/373589372.db2.gz LESYOVAXVNJCDL-BZSNNMDCSA-N 2 1 290.451 2.361 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272575780 373559764 /nfs/dbraw/zinc/55/97/64/373559764.db2.gz IXGZKJBRSMJQIQ-USXIJHARSA-N 2 1 276.424 2.258 20 0 CEADMP CC(C)(O)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000370162072 373595969 /nfs/dbraw/zinc/59/59/69/373595969.db2.gz NESYEQMSOOUMAB-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000370203561 373604299 /nfs/dbraw/zinc/60/42/99/373604299.db2.gz INABMBNRZBDFBB-JKSUJKDBSA-N 2 1 274.408 2.400 20 0 CEADMP CCc1cc(NC2CC[NH+](C3CC3)CC2)nc(C)[nH+]1 ZINC000272802374 373662918 /nfs/dbraw/zinc/66/29/18/373662918.db2.gz AZQXEUHLQWXTBW-UHFFFAOYSA-N 2 1 260.385 2.386 20 0 CEADMP C[C@@H]1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000370526290 373676922 /nfs/dbraw/zinc/67/69/22/373676922.db2.gz CUTHPQIUPYWJSG-YZDRTPDPSA-N 2 1 266.429 2.406 20 0 CEADMP COc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccn1 ZINC000371258895 373824717 /nfs/dbraw/zinc/82/47/17/373824717.db2.gz QIPYZHMENMODCF-CABCVRRESA-N 2 1 275.396 2.006 20 0 CEADMP CN(C)c1cc(NC(=O)CC2(C[NH3+])CCCCC2)cc[nH+]1 ZINC000274287747 373866579 /nfs/dbraw/zinc/86/65/79/373866579.db2.gz QAAMVKFMSKSCOS-UHFFFAOYSA-N 2 1 290.411 2.385 20 0 CEADMP C[N@@H+]1CC[C@H](C[NH2+]Cc2cncnc2)[C@H]1c1ccccc1 ZINC000371722106 373959768 /nfs/dbraw/zinc/95/97/68/373959768.db2.gz CQIVZXOGRGXRIX-IAGOWNOFSA-N 2 1 282.391 2.259 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+]Cc2cncnc2)[C@H]1c1ccccc1 ZINC000371722106 373959774 /nfs/dbraw/zinc/95/97/74/373959774.db2.gz CQIVZXOGRGXRIX-IAGOWNOFSA-N 2 1 282.391 2.259 20 0 CEADMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cncnc2)[C@@H]1c1ccccc1 ZINC000371722108 373960068 /nfs/dbraw/zinc/96/00/68/373960068.db2.gz CQIVZXOGRGXRIX-IRXDYDNUSA-N 2 1 282.391 2.259 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cncnc2)[C@@H]1c1ccccc1 ZINC000371722108 373960074 /nfs/dbraw/zinc/96/00/74/373960074.db2.gz CQIVZXOGRGXRIX-IRXDYDNUSA-N 2 1 282.391 2.259 20 0 CEADMP CCSc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000274409316 373911774 /nfs/dbraw/zinc/91/17/74/373911774.db2.gz HQGPHDJHYMQSND-OAHLLOKOSA-N 2 1 294.464 2.345 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)OCCO2 ZINC000275314117 374213517 /nfs/dbraw/zinc/21/35/17/374213517.db2.gz RTDOJMMHFHDSBZ-DZGCQCFKSA-N 2 1 290.407 2.230 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)OCCO2 ZINC000275314117 374213523 /nfs/dbraw/zinc/21/35/23/374213523.db2.gz RTDOJMMHFHDSBZ-DZGCQCFKSA-N 2 1 290.407 2.230 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000275314117 374213527 /nfs/dbraw/zinc/21/35/27/374213527.db2.gz RTDOJMMHFHDSBZ-DZGCQCFKSA-N 2 1 290.407 2.230 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000275314117 374213532 /nfs/dbraw/zinc/21/35/32/374213532.db2.gz RTDOJMMHFHDSBZ-DZGCQCFKSA-N 2 1 290.407 2.230 20 0 CEADMP C[N@@H+](CCC[C@@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000645911329 374275132 /nfs/dbraw/zinc/27/51/32/374275132.db2.gz LLTREQKJGZPNME-JZWPEALZSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](CCC[C@@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000645911329 374275140 /nfs/dbraw/zinc/27/51/40/374275140.db2.gz LLTREQKJGZPNME-JZWPEALZSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](CCC[C@@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000645911329 374275149 /nfs/dbraw/zinc/27/51/49/374275149.db2.gz LLTREQKJGZPNME-JZWPEALZSA-N 2 1 266.429 2.360 20 0 CEADMP CCC[C@@H](C)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000373214368 374296545 /nfs/dbraw/zinc/29/65/45/374296545.db2.gz DFDOXXUFALZOHJ-CVEARBPZSA-N 2 1 267.461 2.134 20 0 CEADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H]1OC ZINC000373224056 374299239 /nfs/dbraw/zinc/29/92/39/374299239.db2.gz OHJURQOCRLTXNK-ZJIFWQFVSA-N 2 1 296.455 2.033 20 0 CEADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@H]1OC ZINC000373224056 374299247 /nfs/dbraw/zinc/29/92/47/374299247.db2.gz OHJURQOCRLTXNK-ZJIFWQFVSA-N 2 1 296.455 2.033 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000373499324 374366679 /nfs/dbraw/zinc/36/66/79/374366679.db2.gz XBCLPLCMAKMJSJ-SWLSCSKDSA-N 2 1 263.385 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000373499324 374366682 /nfs/dbraw/zinc/36/66/82/374366682.db2.gz XBCLPLCMAKMJSJ-SWLSCSKDSA-N 2 1 263.385 2.081 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000373699568 374406282 /nfs/dbraw/zinc/40/62/82/374406282.db2.gz YFKQSYQVGNOJPK-VNQPRFMTSA-N 2 1 266.429 2.266 20 0 CEADMP CCn1nccc1CC[N@H+]1[C@@H]2CC[C@H]1CN(CC)CC2 ZINC000373747314 374413413 /nfs/dbraw/zinc/41/34/13/374413413.db2.gz UNUAXYQSNYWETD-ZBFHGGJFSA-N 2 1 276.428 2.004 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277161819 374421947 /nfs/dbraw/zinc/42/19/47/374421947.db2.gz KFBOLXXJSSJXPO-IAGOWNOFSA-N 2 1 276.424 2.445 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2ccccc2)CC1 ZINC000277164225 374423854 /nfs/dbraw/zinc/42/38/54/374423854.db2.gz KINALDNSGCYAJM-OAHLLOKOSA-N 2 1 262.397 2.482 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2ccccc2)CC1 ZINC000277164225 374423859 /nfs/dbraw/zinc/42/38/59/374423859.db2.gz KINALDNSGCYAJM-OAHLLOKOSA-N 2 1 262.397 2.482 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cccs3)C2)CC1 ZINC000373818625 374424760 /nfs/dbraw/zinc/42/47/60/374424760.db2.gz NSRKDXGKSFGXBV-HNNXBMFYSA-N 2 1 293.480 2.350 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000373818625 374424769 /nfs/dbraw/zinc/42/47/69/374424769.db2.gz NSRKDXGKSFGXBV-HNNXBMFYSA-N 2 1 293.480 2.350 20 0 CEADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[NH+](C)C ZINC000373876508 374438139 /nfs/dbraw/zinc/43/81/39/374438139.db2.gz PPQRSCOURUQGPB-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP COc1cccc(OCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277264233 374458243 /nfs/dbraw/zinc/45/82/43/374458243.db2.gz REZMSOBWNJNQSH-HNNXBMFYSA-N 2 1 292.423 2.490 20 0 CEADMP COc1cccc(OCC[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277264233 374458245 /nfs/dbraw/zinc/45/82/45/374458245.db2.gz REZMSOBWNJNQSH-HNNXBMFYSA-N 2 1 292.423 2.490 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000277633361 374587389 /nfs/dbraw/zinc/58/73/89/374587389.db2.gz CNMKZDQZXFSPBW-MRXNPFEDSA-N 2 1 289.354 2.110 20 0 CEADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377156203 374805191 /nfs/dbraw/zinc/80/51/91/374805191.db2.gz YYCHAEJYMRWZSB-QGZVFWFLSA-N 2 1 298.434 2.340 20 0 CEADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377156203 374805196 /nfs/dbraw/zinc/80/51/96/374805196.db2.gz YYCHAEJYMRWZSB-QGZVFWFLSA-N 2 1 298.434 2.340 20 0 CEADMP CCCCOC(=O)[C@@H](C)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000377262115 374825480 /nfs/dbraw/zinc/82/54/80/374825480.db2.gz NFHVYVJPIQLFFV-KGLIPLIRSA-N 2 1 293.411 2.331 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000684368451 541984723 /nfs/dbraw/zinc/98/47/23/541984723.db2.gz OVYDSFMKMBNHPK-BPLDGKMQSA-N 2 1 265.401 2.375 20 0 CEADMP CC(C)OCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377066652 374781372 /nfs/dbraw/zinc/78/13/72/374781372.db2.gz JHBMUODTBGULNX-HDICACEKSA-N 2 1 288.435 2.475 20 0 CEADMP CC(C)OCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377066652 374781383 /nfs/dbraw/zinc/78/13/83/374781383.db2.gz JHBMUODTBGULNX-HDICACEKSA-N 2 1 288.435 2.475 20 0 CEADMP CC(C)OCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377066652 374781392 /nfs/dbraw/zinc/78/13/92/374781392.db2.gz JHBMUODTBGULNX-HDICACEKSA-N 2 1 288.435 2.475 20 0 CEADMP Cc1n[nH]cc1C[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377688594 374922401 /nfs/dbraw/zinc/92/24/01/374922401.db2.gz CHNRANWWKHFVCN-UHFFFAOYSA-N 2 1 285.395 2.214 20 0 CEADMP Cc1c[nH+]ccc1NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377986915 374994733 /nfs/dbraw/zinc/99/47/33/374994733.db2.gz MOOOTURBUZLRFT-RDJZCZTQSA-N 2 1 282.391 2.312 20 0 CEADMP C[C@H]1C[C@@H](NCC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379657166 375155634 /nfs/dbraw/zinc/15/56/34/375155634.db2.gz RWTMNOYCSFMGCE-HOCLYGCPSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H]1C[C@H](NCC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379657165 375157132 /nfs/dbraw/zinc/15/71/32/375157132.db2.gz RWTMNOYCSFMGCE-GOEBONIOSA-N 2 1 275.440 2.366 20 0 CEADMP COc1ccccc1CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386584008 375262108 /nfs/dbraw/zinc/26/21/08/375262108.db2.gz POVYDSLFXBKMAK-UKRRQHHQSA-N 2 1 262.397 2.358 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000280654194 375272586 /nfs/dbraw/zinc/27/25/86/375272586.db2.gz FWZAJMIQOHWAQF-CYBMUJFWSA-N 2 1 291.395 2.036 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000280654194 375272589 /nfs/dbraw/zinc/27/25/89/375272589.db2.gz FWZAJMIQOHWAQF-CYBMUJFWSA-N 2 1 291.395 2.036 20 0 CEADMP COCc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)o1 ZINC000397442274 375341179 /nfs/dbraw/zinc/34/11/79/375341179.db2.gz GIIROENRNHIUQT-AVGNSLFASA-N 2 1 266.385 2.231 20 0 CEADMP C[NH+]1CCC([NH2+]CCc2cccc3[nH]ccc32)CC1 ZINC000282556707 375516463 /nfs/dbraw/zinc/51/64/63/375516463.db2.gz DHUIOAQWDSJFAQ-UHFFFAOYSA-N 2 1 257.381 2.394 20 0 CEADMP C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000684559994 542033757 /nfs/dbraw/zinc/03/37/57/542033757.db2.gz DKKDHLWMQPLKLZ-ODIFPOPNSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)CCOc2ccccc2)CC[NH2+]1 ZINC000414674003 375911791 /nfs/dbraw/zinc/91/17/91/375911791.db2.gz RQXGZUGGLPVPCQ-HUUCEWRRSA-N 2 1 262.397 2.385 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000414764120 375955424 /nfs/dbraw/zinc/95/54/24/375955424.db2.gz DRDBQXNYTNQXNZ-TWMKSMIVSA-N 2 1 256.393 2.331 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772374 375962125 /nfs/dbraw/zinc/96/21/25/375962125.db2.gz UENGCSGIEDQATC-BHYGNILZSA-N 2 1 280.456 2.371 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414778572 375962867 /nfs/dbraw/zinc/96/28/67/375962867.db2.gz JCZAQVZEEQSLQC-OLZOCXBDSA-N 2 1 294.468 2.031 20 0 CEADMP C[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C1CC([NH3+])C1 ZINC000414778306 375964069 /nfs/dbraw/zinc/96/40/69/375964069.db2.gz PQFXCWZLFPJYBI-DQPZFDDXSA-N 2 1 290.407 2.166 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788519 375971229 /nfs/dbraw/zinc/97/12/29/375971229.db2.gz WWCDOJQEPDDEOC-UONOGXRCSA-N 2 1 290.407 2.222 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000414792025 375973726 /nfs/dbraw/zinc/97/37/26/375973726.db2.gz IIFDWLXPXOZNGK-CYBMUJFWSA-N 2 1 294.349 2.428 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000414679981 375914916 /nfs/dbraw/zinc/91/49/16/375914916.db2.gz MOGONITVESPRRX-TZMCWYRMSA-N 2 1 276.380 2.235 20 0 CEADMP CC(C)C[C@@H]1COCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414703787 375930820 /nfs/dbraw/zinc/93/08/20/375930820.db2.gz VUBLHYKKDUPDFP-QLFBSQMISA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000414707212 375931808 /nfs/dbraw/zinc/93/18/08/375931808.db2.gz YPTHYEFHDZFFEG-NVXWUHKLSA-N 2 1 290.455 2.134 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CC[NH2+]1 ZINC000414705576 375932075 /nfs/dbraw/zinc/93/20/75/375932075.db2.gz KQCJMRHEJJXSDD-LVQVYYBASA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC[NH2+]1 ZINC000414710035 375935296 /nfs/dbraw/zinc/93/52/96/375935296.db2.gz PKTYYIZGJUFUGD-CBZIJGRNSA-N 3 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]1 ZINC000414710035 375935301 /nfs/dbraw/zinc/93/53/01/375935301.db2.gz PKTYYIZGJUFUGD-CBZIJGRNSA-N 3 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]1 ZINC000414710035 375935305 /nfs/dbraw/zinc/93/53/05/375935305.db2.gz PKTYYIZGJUFUGD-CBZIJGRNSA-N 3 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CC[NH2+]1 ZINC000414710035 375935309 /nfs/dbraw/zinc/93/53/09/375935309.db2.gz PKTYYIZGJUFUGD-CBZIJGRNSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CC[NH2+]1 ZINC000414710035 375935314 /nfs/dbraw/zinc/93/53/14/375935314.db2.gz PKTYYIZGJUFUGD-CBZIJGRNSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]1 ZINC000414710035 375935316 /nfs/dbraw/zinc/93/53/16/375935316.db2.gz PKTYYIZGJUFUGD-CBZIJGRNSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]1 ZINC000414710035 375935320 /nfs/dbraw/zinc/93/53/20/375935320.db2.gz PKTYYIZGJUFUGD-CBZIJGRNSA-N 2 1 291.483 2.323 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000414733148 375944124 /nfs/dbraw/zinc/94/41/24/375944124.db2.gz CQLIDYKRONEJTO-CVEARBPZSA-N 2 1 267.461 2.024 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000414796596 375980011 /nfs/dbraw/zinc/98/00/11/375980011.db2.gz OHSDDSRGPOQRQL-CQSZACIVSA-N 2 1 258.369 2.150 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000414745646 375947994 /nfs/dbraw/zinc/94/79/94/375947994.db2.gz RAQSPPSKKRWQNY-LSDHHAIUSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCC12CCOCC2 ZINC000414749278 375949489 /nfs/dbraw/zinc/94/94/89/375949489.db2.gz VVQQJGWGVAWMEX-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1C ZINC000414820365 376006299 /nfs/dbraw/zinc/00/62/99/376006299.db2.gz AOMORSSLMKDOCU-UKRRQHHQSA-N 2 1 289.423 2.362 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)C[C@@H]1C ZINC000414835767 376008294 /nfs/dbraw/zinc/00/82/94/376008294.db2.gz HTEBHSSKXUHUSB-BYNSBNAKSA-N 2 1 284.444 2.317 20 0 CEADMP [NH3+]C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)C1CCCC1 ZINC000415044142 376017647 /nfs/dbraw/zinc/01/76/47/376017647.db2.gz BGIIEBDLUYFMOI-ZDUSSCGKSA-N 2 1 293.377 2.120 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000414803846 375989934 /nfs/dbraw/zinc/98/99/34/375989934.db2.gz WXZLHFRRKKQSOY-AWEZNQCLSA-N 2 1 276.359 2.289 20 0 CEADMP C[C@@H](C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262476589 190056110 /nfs/dbraw/zinc/05/61/10/190056110.db2.gz YZVVZBARUILGJM-KBPBESRZSA-N 2 1 289.423 2.452 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287801994 376318571 /nfs/dbraw/zinc/31/85/71/376318571.db2.gz ONWCQQJTXAMYMS-KRWDZBQOSA-N 2 1 291.439 2.404 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287801994 376318578 /nfs/dbraw/zinc/31/85/78/376318578.db2.gz ONWCQQJTXAMYMS-KRWDZBQOSA-N 2 1 291.439 2.404 20 0 CEADMP CCOC(=O)[C@H]1CCC[N@@H+]1CCCc1cnccc1C ZINC000289636739 376427298 /nfs/dbraw/zinc/42/72/98/376427298.db2.gz KUEFGVWAEINCMD-OAHLLOKOSA-N 2 1 276.380 2.350 20 0 CEADMP CCOC(=O)[C@H]1CCC[N@H+]1CCCc1cnccc1C ZINC000289636739 376427301 /nfs/dbraw/zinc/42/73/01/376427301.db2.gz KUEFGVWAEINCMD-OAHLLOKOSA-N 2 1 276.380 2.350 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CC[NH2+]C)cc1 ZINC000263111793 190066381 /nfs/dbraw/zinc/06/63/81/190066381.db2.gz DYIGMCJYFOOOLJ-UHFFFAOYSA-N 2 1 291.439 2.210 20 0 CEADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](O)C[NH+](C)C ZINC000305735970 376464073 /nfs/dbraw/zinc/46/40/73/376464073.db2.gz SLUBSVVMECDNCC-NFAWXSAZSA-N 2 1 262.397 2.055 20 0 CEADMP C[N@@H+](C[C@H](O)CN1CCC[C@H]1c1ccc(F)cc1)C1CC1 ZINC000289725191 376465695 /nfs/dbraw/zinc/46/56/95/376465695.db2.gz HDNUIEMSAKKXCC-IRXDYDNUSA-N 2 1 292.398 2.418 20 0 CEADMP FC(F)(F)CO[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000557333379 376550892 /nfs/dbraw/zinc/55/08/92/376550892.db2.gz ARHVJXJUWWASHT-VXGBXAGGSA-N 2 1 280.334 2.029 20 0 CEADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000556951997 376524914 /nfs/dbraw/zinc/52/49/14/376524914.db2.gz LOOHIZQVQNBTCJ-SWLSCSKDSA-N 2 1 293.386 2.275 20 0 CEADMP Cn1cc(C[NH+]2CCC([NH3+])CC2)c(-c2ccccc2)n1 ZINC000334313474 206353836 /nfs/dbraw/zinc/35/38/36/206353836.db2.gz NKAYPTRKTDZHMA-UHFFFAOYSA-N 2 1 270.380 2.010 20 0 CEADMP CC(C)c1cc(N2CCC[C@@H](C)[C@H]2C[NH3+])nc(N(C)C)[nH+]1 ZINC000420179851 376593826 /nfs/dbraw/zinc/59/38/26/376593826.db2.gz CJJGGVNHCFKARS-TZMCWYRMSA-N 2 1 291.443 2.230 20 0 CEADMP C[C@H](O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309998636 376613198 /nfs/dbraw/zinc/61/31/98/376613198.db2.gz CWLGQNJPTBMXOX-RYQLBKOJSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H](O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309998636 376613203 /nfs/dbraw/zinc/61/32/03/376613203.db2.gz CWLGQNJPTBMXOX-RYQLBKOJSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H](O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309998636 376613211 /nfs/dbraw/zinc/61/32/11/376613211.db2.gz CWLGQNJPTBMXOX-RYQLBKOJSA-N 2 1 288.435 2.211 20 0 CEADMP CCCCOCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000311060752 376650085 /nfs/dbraw/zinc/65/00/85/376650085.db2.gz ZAAMUEQNAJTOEU-UHFFFAOYSA-N 2 1 254.418 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@@]1(C)C[NH3+] ZINC000313867140 376757133 /nfs/dbraw/zinc/75/71/33/376757133.db2.gz XYFLHHZVNNHCLQ-RHSMWYFYSA-N 2 1 284.407 2.289 20 0 CEADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211957140 542093800 /nfs/dbraw/zinc/09/38/00/542093800.db2.gz KNAGQWYJUOHSIK-SUMWQHHRSA-N 2 1 274.408 2.332 20 0 CEADMP COc1c(C)c[nH+]c(Cn2cc([C@H]([NH3+])C(C)C)nn2)c1C ZINC000313401413 376744403 /nfs/dbraw/zinc/74/44/03/376744403.db2.gz PZDYOIRXDRCTHF-CQSZACIVSA-N 2 1 289.383 2.003 20 0 CEADMP C[C@@H](CC(=O)NCCC[N@H+]1CCCC[C@H]1C)n1ccnc1 ZINC000560683317 376774746 /nfs/dbraw/zinc/77/47/46/376774746.db2.gz PGAWPCUYNHZZLM-CABCVRRESA-N 2 1 292.427 2.215 20 0 CEADMP COC1(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCCC1 ZINC000319537997 376817703 /nfs/dbraw/zinc/81/77/03/376817703.db2.gz BACFLUTZHNAYHS-IHRRRGAJSA-N 2 1 252.402 2.005 20 0 CEADMP c1[nH]c2nccnc2c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000290559541 376832790 /nfs/dbraw/zinc/83/27/90/376832790.db2.gz XLEVSZPMHWRPMH-AWEZNQCLSA-N 2 1 299.422 2.266 20 0 CEADMP c1[nH]c2nccnc2c1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000290559541 376832799 /nfs/dbraw/zinc/83/27/99/376832799.db2.gz XLEVSZPMHWRPMH-AWEZNQCLSA-N 2 1 299.422 2.266 20 0 CEADMP C[NH+](C)CCC[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000561971384 376836006 /nfs/dbraw/zinc/83/60/06/376836006.db2.gz MFCSNZPCMJEPFE-UHFFFAOYSA-N 2 1 278.425 2.317 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000561971384 376836013 /nfs/dbraw/zinc/83/60/13/376836013.db2.gz MFCSNZPCMJEPFE-UHFFFAOYSA-N 2 1 278.425 2.317 20 0 CEADMP C1=CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000422976914 376900795 /nfs/dbraw/zinc/90/07/95/376900795.db2.gz WADYKFVGKCTYKF-ZJIFWQFVSA-N 2 1 264.413 2.089 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccncc3)C2)CC1 ZINC000290601178 376848888 /nfs/dbraw/zinc/84/88/88/376848888.db2.gz VYYZSBHWCXBTCE-MRXNPFEDSA-N 2 1 259.397 2.245 20 0 CEADMP COc1ccc(OCCC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422899254 376855984 /nfs/dbraw/zinc/85/59/84/376855984.db2.gz OANPKQNPGJDZSU-CZUORRHYSA-N 2 1 278.396 2.194 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000562280616 376858536 /nfs/dbraw/zinc/85/85/36/376858536.db2.gz AKCSNTFFETVHQL-XJKCOSOUSA-N 2 1 286.423 2.392 20 0 CEADMP Cn1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000328631312 376866768 /nfs/dbraw/zinc/86/67/68/376866768.db2.gz KHOKOZAKISDNAD-IRXDYDNUSA-N 2 1 284.407 2.203 20 0 CEADMP Cn1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000328631312 376866779 /nfs/dbraw/zinc/86/67/79/376866779.db2.gz KHOKOZAKISDNAD-IRXDYDNUSA-N 2 1 284.407 2.203 20 0 CEADMP CCOCCC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CCC1 ZINC000422948051 376871765 /nfs/dbraw/zinc/87/17/65/376871765.db2.gz ZHYCKGOSNVJJGI-KGLIPLIRSA-N 2 1 254.418 2.171 20 0 CEADMP CCOc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422966170 376895578 /nfs/dbraw/zinc/89/55/78/376895578.db2.gz QVJFASXZOFNNBA-OWCLPIDISA-N 2 1 289.423 2.491 20 0 CEADMP c1cc(OCC2CC2)ncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422975547 376896714 /nfs/dbraw/zinc/89/67/14/376896714.db2.gz SWNGQFVMWGWCEH-XYPWUTKMSA-N 2 1 287.407 2.243 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422981045 376905446 /nfs/dbraw/zinc/90/54/46/376905446.db2.gz RYDUBGIEJXEGBC-LBPRGKRZSA-N 2 1 265.401 2.476 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422998163 376915122 /nfs/dbraw/zinc/91/51/22/376915122.db2.gz CKZDRVOTZOKRRM-BFHYXJOUSA-N 2 1 256.434 2.150 20 0 CEADMP CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423039886 376944212 /nfs/dbraw/zinc/94/42/12/376944212.db2.gz RXXKZHQJSDEVAB-AXFHLTTASA-N 2 1 268.323 2.074 20 0 CEADMP CSCCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423056051 376950684 /nfs/dbraw/zinc/95/06/84/376950684.db2.gz WVWGZLWVZGYHMF-KFWWJZLASA-N 2 1 286.485 2.266 20 0 CEADMP CCC(O)(CC)CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423075906 376969430 /nfs/dbraw/zinc/96/94/30/376969430.db2.gz XWXRIUHMSHHNKG-NSHDSACASA-N 2 1 251.374 2.086 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000423122236 377017907 /nfs/dbraw/zinc/01/79/07/377017907.db2.gz BYHUADDHOROEET-IPYPFGDCSA-N 2 1 277.387 2.135 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@H](c2cccnc2)C1)C1CC1 ZINC000562955966 377035403 /nfs/dbraw/zinc/03/54/03/377035403.db2.gz QDHLCLXHYDRFQF-BPUTZDHNSA-N 2 1 259.397 2.435 20 0 CEADMP CS[C@@H]1CC[NH+](CC(C)C[N@@H+]2CC[C@@H](SC)C2)C1 ZINC000562723158 376984887 /nfs/dbraw/zinc/98/48/87/376984887.db2.gz PSGMLFYKPOBTAN-ZIAGYGMSSA-N 2 1 288.526 2.497 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423103696 376995977 /nfs/dbraw/zinc/99/59/77/376995977.db2.gz XVWNKTAYKWOHBY-BZUAXINKSA-N 2 1 265.445 2.253 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423101974 376996500 /nfs/dbraw/zinc/99/65/00/376996500.db2.gz WSESMBPOTJQXOO-OIISXLGYSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000423113174 377008454 /nfs/dbraw/zinc/00/84/54/377008454.db2.gz KKGHLNMLZYKADK-MLGOLLRUSA-N 2 1 257.381 2.298 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CCC1CC(OC(C)(C)C)C1)C1CC1 ZINC000563002628 377055110 /nfs/dbraw/zinc/05/51/10/377055110.db2.gz INUURTUDUDLZNH-SIWZUTFBSA-N 2 1 298.471 2.015 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC1CC(OC(C)(C)C)C1)C1CC1 ZINC000563002628 377055117 /nfs/dbraw/zinc/05/51/17/377055117.db2.gz INUURTUDUDLZNH-SIWZUTFBSA-N 2 1 298.471 2.015 20 0 CEADMP C[C@@H](NCC[N@H+]1CCCC1(C)C)c1c[nH+]ccc1N ZINC000423157634 377058765 /nfs/dbraw/zinc/05/87/65/377058765.db2.gz BIOORQDRDSMMKN-GFCCVEGCSA-N 2 1 262.401 2.019 20 0 CEADMP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423159277 377062042 /nfs/dbraw/zinc/06/20/42/377062042.db2.gz XTRBYGGATYWWGF-SYQHCUMBSA-N 2 1 288.382 2.169 20 0 CEADMP CC[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000423176963 377087292 /nfs/dbraw/zinc/08/72/92/377087292.db2.gz GUWULECEULXSGK-KBMXLJTQSA-N 2 1 280.387 2.022 20 0 CEADMP COCC1CCC([NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000423179272 377090386 /nfs/dbraw/zinc/09/03/86/377090386.db2.gz JOLNOEPEYOVNMT-HIFPTAJRSA-N 2 1 263.385 2.350 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cn1 ZINC000423207067 377124678 /nfs/dbraw/zinc/12/46/78/377124678.db2.gz GOAPYAZWMWVJEX-CHWSQXEVSA-N 2 1 250.390 2.114 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c(C)n1 ZINC000423182129 377094177 /nfs/dbraw/zinc/09/41/77/377094177.db2.gz DUXWAKYOIVMNSN-CYBMUJFWSA-N 2 1 299.422 2.319 20 0 CEADMP [NH3+]CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423183639 377097499 /nfs/dbraw/zinc/09/74/99/377097499.db2.gz LJFVLMQMOLLBTP-RCCFBDPRSA-N 2 1 287.451 2.226 20 0 CEADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cncc(F)c1 ZINC000423189483 377102492 /nfs/dbraw/zinc/10/24/92/377102492.db2.gz PMFIYPFKYWCXQS-CYBMUJFWSA-N 2 1 288.370 2.446 20 0 CEADMP COc1ccccc1/C=C\C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000563136192 377104438 /nfs/dbraw/zinc/10/44/38/377104438.db2.gz IHWPBCSKULEMBX-GMNBZTITSA-N 2 1 260.381 2.379 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000563136192 377104439 /nfs/dbraw/zinc/10/44/39/377104439.db2.gz IHWPBCSKULEMBX-GMNBZTITSA-N 2 1 260.381 2.379 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423192770 377107247 /nfs/dbraw/zinc/10/72/47/377107247.db2.gz WFOWPLBZFUFALC-IRXDYDNUSA-N 2 1 291.439 2.356 20 0 CEADMP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423218834 377133054 /nfs/dbraw/zinc/13/30/54/377133054.db2.gz VCTNNAQFMWTDJT-HZPDHXFCSA-N 2 1 262.397 2.179 20 0 CEADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CC[NH2+]C2)C3)cc1 ZINC000423216704 377133172 /nfs/dbraw/zinc/13/31/72/377133172.db2.gz QNVLNYVWCAASLA-TVFCKZIOSA-N 2 1 285.435 2.134 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H]([NH3+])c1ccccc1 ZINC000423239536 377158254 /nfs/dbraw/zinc/15/82/54/377158254.db2.gz BHFHDTPGDHPJNR-YVEFUNNKSA-N 2 1 284.407 2.199 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@H]([NH3+])c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423241067 377160571 /nfs/dbraw/zinc/16/05/71/377160571.db2.gz CVSCADZSLLFSAD-QAETUUGQSA-N 2 1 273.424 2.149 20 0 CEADMP CCc1nc2c(s1)[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)CCC2 ZINC000423274974 377197278 /nfs/dbraw/zinc/19/72/78/377197278.db2.gz LBTZPMWIXZXMKK-JQWIXIFHSA-N 2 1 265.426 2.410 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000423251791 377172581 /nfs/dbraw/zinc/17/25/81/377172581.db2.gz WWIAMWIYMWOSFM-INIZCTEOSA-N 2 1 264.413 2.427 20 0 CEADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])C2CC2)C1 ZINC000423265132 377182297 /nfs/dbraw/zinc/18/22/97/377182297.db2.gz ATVCFGRBLVIXPJ-AEGPPILISA-N 2 1 282.428 2.215 20 0 CEADMP CC(C)[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000423335671 377266964 /nfs/dbraw/zinc/26/69/64/377266964.db2.gz UCIKLHAJYNCTCN-NOZJJQNGSA-N 2 1 263.341 2.167 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]C/C=C\c2ccccc2)CC1 ZINC000563419626 377219109 /nfs/dbraw/zinc/21/91/09/377219109.db2.gz YHFIKPJMXAQCIN-YVMONPNESA-N 2 1 274.408 2.136 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1COc2ccc(OC)cc2C1 ZINC000423296915 377225020 /nfs/dbraw/zinc/22/50/20/377225020.db2.gz HZJMEWJJYBTKLX-KBPBESRZSA-N 2 1 278.396 2.106 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000423301568 377230691 /nfs/dbraw/zinc/23/06/91/377230691.db2.gz HPEQIJKGSRUPDF-KKUMJFAQSA-N 2 1 266.429 2.456 20 0 CEADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccccc1OC(F)(F)F ZINC000423302163 377232462 /nfs/dbraw/zinc/23/24/62/377232462.db2.gz JBDLWNQHNLVIED-VIFPVBQESA-N 2 1 274.286 2.455 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CCCS2 ZINC000423307668 377237313 /nfs/dbraw/zinc/23/73/13/377237313.db2.gz WHNLCWCOOSIGOF-AWEZNQCLSA-N 2 1 278.421 2.431 20 0 CEADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423313045 377242173 /nfs/dbraw/zinc/24/21/73/377242173.db2.gz TVTDWFRLMNHZHN-SJLPKXTDSA-N 2 1 289.467 2.486 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423313573 377242931 /nfs/dbraw/zinc/24/29/31/377242931.db2.gz FWXSSFYKMHYCMS-CXAGYDPISA-N 3 1 291.439 2.015 20 0 CEADMP C[C@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000423322393 377253014 /nfs/dbraw/zinc/25/30/14/377253014.db2.gz HBKLRFYMZNLVNM-RBSFLKMASA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H](C)[NH3+] ZINC000423325976 377258288 /nfs/dbraw/zinc/25/82/88/377258288.db2.gz KHDKTSBZQAYMCK-OAGGEKHMSA-N 2 1 297.487 2.234 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000423276392 377200584 /nfs/dbraw/zinc/20/05/84/377200584.db2.gz OJKSJWIJCWPNIT-JSGCOSHPSA-N 2 1 264.417 2.476 20 0 CEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423279648 377204389 /nfs/dbraw/zinc/20/43/89/377204389.db2.gz RWDJDXNNZWHZKG-ZUZCIYMTSA-N 2 1 287.407 2.304 20 0 CEADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)CN(C)C2CC2)cc1 ZINC000685570925 542159142 /nfs/dbraw/zinc/15/91/42/542159142.db2.gz RBVQEROGRSHKPE-XJKSGUPXSA-N 2 1 292.423 2.191 20 0 CEADMP Cn1cnc2cc(CN3CC[C@]4(CC[N@@H+](C)C4)C3)ccc21 ZINC000292803810 377290455 /nfs/dbraw/zinc/29/04/55/377290455.db2.gz NVQRCIHFOACDIV-KRWDZBQOSA-N 2 1 284.407 2.101 20 0 CEADMP Cn1cnc2cc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)ccc21 ZINC000292803810 377290461 /nfs/dbraw/zinc/29/04/61/377290461.db2.gz NVQRCIHFOACDIV-KRWDZBQOSA-N 2 1 284.407 2.101 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)ccc21 ZINC000292803810 377290470 /nfs/dbraw/zinc/29/04/70/377290470.db2.gz NVQRCIHFOACDIV-KRWDZBQOSA-N 2 1 284.407 2.101 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)c1ccccc1 ZINC000264873117 190140836 /nfs/dbraw/zinc/14/08/36/190140836.db2.gz GXUDNKVNZQRJAG-GDBMZVCRSA-N 2 1 291.439 2.136 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2cnn(C)c2)s1 ZINC000564667174 377428237 /nfs/dbraw/zinc/42/82/37/377428237.db2.gz SJEAEWBMYCMTEQ-WCQYABFASA-N 2 1 290.436 2.460 20 0 CEADMP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)OCO2)C[NH+](C)C ZINC000293249372 377491312 /nfs/dbraw/zinc/49/13/12/377491312.db2.gz BOJJWERHNBKGNW-VXGBXAGGSA-N 2 1 264.369 2.264 20 0 CEADMP C[C@H]1C[N@@H+](CCOC2CCCCCC2)CC[C@H]1[NH3+] ZINC000430921859 377564765 /nfs/dbraw/zinc/56/47/65/377564765.db2.gz VHLNWAAKAWGRMK-DZGCQCFKSA-N 2 1 254.418 2.395 20 0 CEADMP C[C@@H]1C[N@@H+](CCCOCCc2ccccc2)CC[C@H]1[NH3+] ZINC000430921909 377564943 /nfs/dbraw/zinc/56/49/43/377564943.db2.gz VSGBNPKTDTXUNS-NVXWUHKLSA-N 2 1 276.424 2.305 20 0 CEADMP COc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1C ZINC000265238835 190168287 /nfs/dbraw/zinc/16/82/87/190168287.db2.gz KUTQXCBHBSVYSC-UHFFFAOYSA-N 2 1 250.386 2.387 20 0 CEADMP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000265238835 190168288 /nfs/dbraw/zinc/16/82/88/190168288.db2.gz KUTQXCBHBSVYSC-UHFFFAOYSA-N 2 1 250.386 2.387 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000565098478 377557610 /nfs/dbraw/zinc/55/76/10/377557610.db2.gz KEXNPAODHIPVEF-ZBFHGGJFSA-N 2 1 294.464 2.071 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000565137651 377570033 /nfs/dbraw/zinc/57/00/33/377570033.db2.gz UMVRORFAQDMLBI-OAHLLOKOSA-N 2 1 299.422 2.116 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccnn1-c1ccccc1 ZINC000281200936 542186730 /nfs/dbraw/zinc/18/67/30/542186730.db2.gz KGJXMKWVKCSMME-CQSZACIVSA-N 2 1 272.396 2.475 20 0 CEADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000332379757 377584216 /nfs/dbraw/zinc/58/42/16/377584216.db2.gz YOIBFFBYNZLSPR-IJEWVQPXSA-N 2 1 291.443 2.200 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000431050187 377591854 /nfs/dbraw/zinc/59/18/54/377591854.db2.gz SEUPURQPXLEFOO-LSDHHAIUSA-N 2 1 295.471 2.084 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccsc3C)C2)CC1 ZINC000295212698 249366524 /nfs/dbraw/zinc/36/65/24/249366524.db2.gz ATCUCGVOUKFANC-INIZCTEOSA-N 2 1 293.480 2.268 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000565362346 377648276 /nfs/dbraw/zinc/64/82/76/377648276.db2.gz IBPQWNQJDFYKQM-MRXNPFEDSA-N 2 1 287.407 2.493 20 0 CEADMP C[C@@H](C(=O)NC(C)(C)CCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000293614071 377657535 /nfs/dbraw/zinc/65/75/35/377657535.db2.gz HHRBIGKXWXKPDN-AWEZNQCLSA-N 2 1 291.439 2.141 20 0 CEADMP Cc1cnccc1CC[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000565605858 377679287 /nfs/dbraw/zinc/67/92/87/377679287.db2.gz BMNAAAMBGMHYSF-JKSUJKDBSA-N 2 1 259.397 2.101 20 0 CEADMP Cc1cnccc1CCN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565605858 377679293 /nfs/dbraw/zinc/67/92/93/377679293.db2.gz BMNAAAMBGMHYSF-JKSUJKDBSA-N 2 1 259.397 2.101 20 0 CEADMP Cc1cnccc1CCN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000565605858 377679299 /nfs/dbraw/zinc/67/92/99/377679299.db2.gz BMNAAAMBGMHYSF-JKSUJKDBSA-N 2 1 259.397 2.101 20 0 CEADMP COCC1([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000566091198 377723522 /nfs/dbraw/zinc/72/35/22/377723522.db2.gz ZGNUTWPHJOHGIS-HUUCEWRRSA-N 2 1 260.381 2.248 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1(C)C ZINC000432410940 377757340 /nfs/dbraw/zinc/75/73/40/377757340.db2.gz TUWPNFFAEDRZEZ-BZUAXINKSA-N 2 1 298.471 2.281 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1(C)C ZINC000432410940 377757343 /nfs/dbraw/zinc/75/73/43/377757343.db2.gz TUWPNFFAEDRZEZ-BZUAXINKSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000437776171 377862342 /nfs/dbraw/zinc/86/23/42/377862342.db2.gz OXOXYXVRYHWAGB-CVEARBPZSA-N 2 1 268.445 2.371 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@@H]2CCOC2)C1 ZINC000438097883 377884037 /nfs/dbraw/zinc/88/40/37/377884037.db2.gz UVCUUOWJIAGAKQ-HZPDHXFCSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000438097883 377884043 /nfs/dbraw/zinc/88/40/43/377884043.db2.gz UVCUUOWJIAGAKQ-HZPDHXFCSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000438097883 377884048 /nfs/dbraw/zinc/88/40/48/377884048.db2.gz UVCUUOWJIAGAKQ-HZPDHXFCSA-N 2 1 266.429 2.077 20 0 CEADMP CCn1ccnc1[C@H]1CCCC[N@H+]1CCn1ccnc1 ZINC000293952552 377845628 /nfs/dbraw/zinc/84/56/28/377845628.db2.gz BWFRHNPTHWFHAM-CQSZACIVSA-N 2 1 273.384 2.327 20 0 CEADMP CCC[C@H](C)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441371685 377940548 /nfs/dbraw/zinc/94/05/48/377940548.db2.gz MXKZEMKRYYJJMG-AWEZNQCLSA-N 2 1 255.450 2.038 20 0 CEADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000442920449 378019034 /nfs/dbraw/zinc/01/90/34/378019034.db2.gz LKRBJAIFZVENHJ-CYBMUJFWSA-N 2 1 264.417 2.199 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC23CCCC3)CC1(C)C ZINC000442875493 378011103 /nfs/dbraw/zinc/01/11/03/378011103.db2.gz OVYBOWVTWCSFDJ-HNNXBMFYSA-N 2 1 279.472 2.325 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1C ZINC000442757601 377990341 /nfs/dbraw/zinc/99/03/41/377990341.db2.gz MOYSDDLLJPXDBV-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1C ZINC000442757601 377990348 /nfs/dbraw/zinc/99/03/48/377990348.db2.gz MOYSDDLLJPXDBV-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1F ZINC000442758699 377992163 /nfs/dbraw/zinc/99/21/63/377992163.db2.gz BJVFTBCKWJKHAX-RWMBFGLXSA-N 2 1 293.386 2.130 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1F ZINC000442758699 377992167 /nfs/dbraw/zinc/99/21/67/377992167.db2.gz BJVFTBCKWJKHAX-RWMBFGLXSA-N 2 1 293.386 2.130 20 0 CEADMP COc1cccc(CCC[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000442763235 377994360 /nfs/dbraw/zinc/99/43/60/377994360.db2.gz AXYSICPAMVDGOC-ZFWWWQNUSA-N 2 1 262.397 2.297 20 0 CEADMP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443069365 378033359 /nfs/dbraw/zinc/03/33/59/378033359.db2.gz JROHZHHZIFWVKM-HUUCEWRRSA-N 2 1 289.423 2.383 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOCCOc2ccccc2)C1 ZINC000443077562 378035902 /nfs/dbraw/zinc/03/59/02/378035902.db2.gz UYXODCPTYVTIRG-MRXNPFEDSA-N 2 1 292.423 2.143 20 0 CEADMP C[N@H+](C[C@H](O)c1ccc(F)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000266018162 190223286 /nfs/dbraw/zinc/22/32/86/190223286.db2.gz QXKDPAPBPCWCSQ-LRDDRELGSA-N 2 1 298.377 2.272 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000266018162 190223287 /nfs/dbraw/zinc/22/32/87/190223287.db2.gz QXKDPAPBPCWCSQ-LRDDRELGSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@H](O)c1ccc(F)cc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000266018162 190223288 /nfs/dbraw/zinc/22/32/88/190223288.db2.gz QXKDPAPBPCWCSQ-LRDDRELGSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@H](O)c1ccc(F)cc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000266018162 190223289 /nfs/dbraw/zinc/22/32/89/190223289.db2.gz QXKDPAPBPCWCSQ-LRDDRELGSA-N 2 1 298.377 2.272 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000442921130 378019942 /nfs/dbraw/zinc/01/99/42/378019942.db2.gz HWMVBMMSJQCITK-CYBMUJFWSA-N 2 1 259.397 2.215 20 0 CEADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](C)[C@@H](C)C2)C[C@H]1C ZINC000447300230 378099476 /nfs/dbraw/zinc/09/94/76/378099476.db2.gz WPUPZNZJLJNODO-KFESYUHLSA-N 2 1 282.472 2.303 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](C)[C@@H](C)C2)C[C@H]1C ZINC000447300230 378099479 /nfs/dbraw/zinc/09/94/79/378099479.db2.gz WPUPZNZJLJNODO-KFESYUHLSA-N 2 1 282.472 2.303 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CC[C@H](C)[C@@H](C)C2)C[C@H]1C ZINC000447300230 378099485 /nfs/dbraw/zinc/09/94/85/378099485.db2.gz WPUPZNZJLJNODO-KFESYUHLSA-N 2 1 282.472 2.303 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000450632574 378509092 /nfs/dbraw/zinc/50/90/92/378509092.db2.gz PZOBJFRQTFMUDF-OWCLPIDISA-N 2 1 267.461 2.131 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC[C@H](C)O)C1)CCCC2 ZINC000450784041 378578024 /nfs/dbraw/zinc/57/80/24/378578024.db2.gz GSAXBWVMMPYXDX-JSGCOSHPSA-N 2 1 277.412 2.088 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC[C@H](C)O)C1)CCCC2 ZINC000450784041 378578033 /nfs/dbraw/zinc/57/80/33/378578033.db2.gz GSAXBWVMMPYXDX-JSGCOSHPSA-N 2 1 277.412 2.088 20 0 CEADMP C[C@H](O)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000450982894 378671160 /nfs/dbraw/zinc/67/11/60/378671160.db2.gz NXWNWQLHAAJSNY-FUHWJXTLSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H](O)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000450982894 378671162 /nfs/dbraw/zinc/67/11/62/378671162.db2.gz NXWNWQLHAAJSNY-FUHWJXTLSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H](O)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000450982894 378671167 /nfs/dbraw/zinc/67/11/67/378671167.db2.gz NXWNWQLHAAJSNY-FUHWJXTLSA-N 2 1 288.435 2.355 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298610923 378778801 /nfs/dbraw/zinc/77/88/01/378778801.db2.gz ZYRRUROXNZUYAW-UHFFFAOYSA-N 2 1 287.407 2.361 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453055079 378787474 /nfs/dbraw/zinc/78/74/74/378787474.db2.gz IUPHUCXNNWWLHK-DZJNRPSUSA-N 2 1 288.435 2.400 20 0 CEADMP CO[C@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2C)C12CCC2 ZINC000453058742 378789351 /nfs/dbraw/zinc/78/93/51/378789351.db2.gz JWJFSLGRXOZOHV-KBPBESRZSA-N 2 1 263.385 2.129 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453103445 378804081 /nfs/dbraw/zinc/80/40/81/378804081.db2.gz RVQHTHDOHUMXLX-KRWDZBQOSA-N 2 1 279.472 2.182 20 0 CEADMP CC(C)c1ncc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000346822986 218023946 /nfs/dbraw/zinc/02/39/46/218023946.db2.gz JNXIDXWFLQIOMO-WCFLWFBJSA-N 2 1 265.426 2.436 20 0 CEADMP CC(C)c1ncc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000346822986 218023947 /nfs/dbraw/zinc/02/39/47/218023947.db2.gz JNXIDXWFLQIOMO-WCFLWFBJSA-N 2 1 265.426 2.436 20 0 CEADMP CC(C)c1nc([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000346835531 218030499 /nfs/dbraw/zinc/03/04/99/218030499.db2.gz TUXJKOLZBLNYFL-KGLIPLIRSA-N 2 1 292.427 2.372 20 0 CEADMP CC(C)c1nc([C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000346835531 218030502 /nfs/dbraw/zinc/03/05/02/218030502.db2.gz TUXJKOLZBLNYFL-KGLIPLIRSA-N 2 1 292.427 2.372 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453277458 378853988 /nfs/dbraw/zinc/85/39/88/378853988.db2.gz JQYIICULGMOYQY-CQSZACIVSA-N 2 1 295.471 2.084 20 0 CEADMP CC[NH+]1CCC([N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453277458 378853992 /nfs/dbraw/zinc/85/39/92/378853992.db2.gz JQYIICULGMOYQY-CQSZACIVSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000453291136 378855907 /nfs/dbraw/zinc/85/59/07/378855907.db2.gz NXUQHTFJRRWUSZ-ZIAGYGMSSA-N 2 1 261.413 2.289 20 0 CEADMP COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)CC(C)(C)[NH3+] ZINC000346853527 218038326 /nfs/dbraw/zinc/03/83/26/218038326.db2.gz SVQOWLMVCUYIFV-CYBMUJFWSA-N 2 1 278.396 2.035 20 0 CEADMP COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)CC(C)(C)[NH3+] ZINC000346853527 218038327 /nfs/dbraw/zinc/03/83/27/218038327.db2.gz SVQOWLMVCUYIFV-CYBMUJFWSA-N 2 1 278.396 2.035 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCOCC1 ZINC000453419398 378897686 /nfs/dbraw/zinc/89/76/86/378897686.db2.gz ZBRYTHJDKKKPRY-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347013267 218092065 /nfs/dbraw/zinc/09/20/65/218092065.db2.gz HSEZWXNXVPOXOG-HNNXBMFYSA-N 2 1 284.407 2.270 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453574162 378911353 /nfs/dbraw/zinc/91/13/53/378911353.db2.gz BFANKQWYSGWPID-ZDUSSCGKSA-N 2 1 277.412 2.442 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000347032699 218097787 /nfs/dbraw/zinc/09/77/87/218097787.db2.gz BEQGGIQUNNXUJF-AWEZNQCLSA-N 2 1 284.407 2.426 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000347032699 218097789 /nfs/dbraw/zinc/09/77/89/218097789.db2.gz BEQGGIQUNNXUJF-AWEZNQCLSA-N 2 1 284.407 2.426 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000347043423 218103021 /nfs/dbraw/zinc/10/30/21/218103021.db2.gz MSMFBSQMKXMKEV-GFCCVEGCSA-N 2 1 290.798 2.306 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000347043423 218103022 /nfs/dbraw/zinc/10/30/22/218103022.db2.gz MSMFBSQMKXMKEV-GFCCVEGCSA-N 2 1 290.798 2.306 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000347137418 218134797 /nfs/dbraw/zinc/13/47/97/218134797.db2.gz UJIIIGICFUPNMO-WMLDXEAASA-N 2 1 284.407 2.101 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000347137418 218134799 /nfs/dbraw/zinc/13/47/99/218134799.db2.gz UJIIIGICFUPNMO-WMLDXEAASA-N 2 1 284.407 2.101 20 0 CEADMP Cn1cc(C[N@H+](C)C2CC[NH2+]CC2)c(-c2cccs2)n1 ZINC000347152835 218139708 /nfs/dbraw/zinc/13/97/08/218139708.db2.gz BIVDNJBJUFTZNR-UHFFFAOYSA-N 2 1 290.436 2.332 20 0 CEADMP Cn1cc(C[N@@H+](C)C2CC[NH2+]CC2)c(-c2cccs2)n1 ZINC000347152835 218139710 /nfs/dbraw/zinc/13/97/10/218139710.db2.gz BIVDNJBJUFTZNR-UHFFFAOYSA-N 2 1 290.436 2.332 20 0 CEADMP COc1ccc([C@H](C)C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000347190764 218150115 /nfs/dbraw/zinc/15/01/15/218150115.db2.gz DSELKTUYKRQQBX-CYBMUJFWSA-N 2 1 262.397 2.483 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCCc2ccncc2)CC1 ZINC000347297980 218181465 /nfs/dbraw/zinc/18/14/65/218181465.db2.gz IFECFNIGHDOORW-UHFFFAOYSA-N 2 1 261.413 2.430 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCCc2ccncc2)CC1 ZINC000347297980 218181468 /nfs/dbraw/zinc/18/14/68/218181468.db2.gz IFECFNIGHDOORW-UHFFFAOYSA-N 2 1 261.413 2.430 20 0 CEADMP Cc1ccccc1[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000289460065 197358437 /nfs/dbraw/zinc/35/84/37/197358437.db2.gz GEBGOMNZFYOEBN-FUHWJXTLSA-N 2 1 288.435 2.491 20 0 CEADMP Cc1ccccc1[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000289460065 197358439 /nfs/dbraw/zinc/35/84/39/197358439.db2.gz GEBGOMNZFYOEBN-FUHWJXTLSA-N 2 1 288.435 2.491 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000514612779 379133215 /nfs/dbraw/zinc/13/32/15/379133215.db2.gz YAJXNBBYJFFFSE-HUUCEWRRSA-N 2 1 277.412 2.101 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000514612779 379133219 /nfs/dbraw/zinc/13/32/19/379133219.db2.gz YAJXNBBYJFFFSE-HUUCEWRRSA-N 2 1 277.412 2.101 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1nccs1 ZINC000300419072 379171770 /nfs/dbraw/zinc/17/17/70/379171770.db2.gz NHJKCTZAINOUOJ-AGIUHOORSA-N 2 1 265.426 2.463 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000515433446 379219218 /nfs/dbraw/zinc/21/92/18/379219218.db2.gz WTYRIJUWBXAFKA-XUWVNRHRSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000515433446 379219223 /nfs/dbraw/zinc/21/92/23/379219223.db2.gz WTYRIJUWBXAFKA-XUWVNRHRSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000515433446 379219225 /nfs/dbraw/zinc/21/92/25/379219225.db2.gz WTYRIJUWBXAFKA-XUWVNRHRSA-N 3 1 267.461 2.214 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2COc3ccc(F)cc32)C1 ZINC000574584649 299509519 /nfs/dbraw/zinc/50/95/19/299509519.db2.gz JDWLRRPUDDVLBK-NQBHXWOUSA-N 2 1 250.317 2.119 20 0 CEADMP CCC[N@H+](CCCc1c[nH+]cn1C)CCN1CCCC1 ZINC000515354474 379209332 /nfs/dbraw/zinc/20/93/32/379209332.db2.gz AGQSGNCIEDRIPZ-UHFFFAOYSA-N 2 1 278.444 2.161 20 0 CEADMP CCC[N@@H+](CCCc1c[nH+]cn1C)CCN1CCCC1 ZINC000515354474 379209337 /nfs/dbraw/zinc/20/93/37/379209337.db2.gz AGQSGNCIEDRIPZ-UHFFFAOYSA-N 2 1 278.444 2.161 20 0 CEADMP CO[C@@](C)([C@@H](C)[NH2+]CCCc1c[nH+]cn1C)C1CC1 ZINC000520425308 379468184 /nfs/dbraw/zinc/46/81/84/379468184.db2.gz RBXHUOKMSXYYJQ-DOMZBBRYSA-N 2 1 265.401 2.146 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000305109943 379642544 /nfs/dbraw/zinc/64/25/44/379642544.db2.gz FKBCWPOOBBGHFZ-VQJWOFKYSA-N 2 1 256.434 2.102 20 0 CEADMP C[C@@H](C(=O)NCC[N@H+]1CCCC1(C)C)[NH+]1CCCCCC1 ZINC000457063563 379647826 /nfs/dbraw/zinc/64/78/26/379647826.db2.gz WEGAKINPTMPDDB-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000305123866 379649028 /nfs/dbraw/zinc/64/90/28/379649028.db2.gz KPDUBJBESKMWHW-OFLPRAFFSA-N 2 1 276.424 2.225 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1nnc2ccccn21)C(C)C ZINC000347673900 218317399 /nfs/dbraw/zinc/31/73/99/218317399.db2.gz MLOBWQAFJRBSBF-OAHLLOKOSA-N 2 1 298.394 2.221 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000267037510 190298971 /nfs/dbraw/zinc/29/89/71/190298971.db2.gz CMJNBPMCHUQZBM-DOTOQJQBSA-N 2 1 276.424 2.384 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000267037510 190298972 /nfs/dbraw/zinc/29/89/72/190298972.db2.gz CMJNBPMCHUQZBM-DOTOQJQBSA-N 2 1 276.424 2.384 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000267037510 190298973 /nfs/dbraw/zinc/29/89/73/190298973.db2.gz CMJNBPMCHUQZBM-DOTOQJQBSA-N 2 1 276.424 2.384 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000267037510 190298974 /nfs/dbraw/zinc/29/89/74/190298974.db2.gz CMJNBPMCHUQZBM-DOTOQJQBSA-N 2 1 276.424 2.384 20 0 CEADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000305224366 379689379 /nfs/dbraw/zinc/68/93/79/379689379.db2.gz NPRTVSNTTGQZAS-GOSISDBHSA-N 2 1 299.418 2.151 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@H](C)O)CC1 ZINC000305664172 379726422 /nfs/dbraw/zinc/72/64/22/379726422.db2.gz ZDRFCIPAGARNFV-ZDUSSCGKSA-N 2 1 265.401 2.065 20 0 CEADMP COCCC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000528576552 380022044 /nfs/dbraw/zinc/02/20/44/380022044.db2.gz AGVXXUCCIJUBCR-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)c1sccc1C[NH+](C)C ZINC000268164874 190382425 /nfs/dbraw/zinc/38/24/25/190382425.db2.gz UFYAKIYAALTWFS-UHFFFAOYSA-N 2 1 297.468 2.271 20 0 CEADMP COC(=O)[C@H](CC1CCCCC1)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414742856 291746061 /nfs/dbraw/zinc/74/60/61/291746061.db2.gz GKOYOALUUPTWJC-IMJJTQAJSA-N 2 1 296.455 2.476 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000334312132 380271368 /nfs/dbraw/zinc/27/13/68/380271368.db2.gz LWPXEBDJFMEFOW-GFCCVEGCSA-N 2 1 271.364 2.111 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000334273668 380264614 /nfs/dbraw/zinc/26/46/14/380264614.db2.gz LBJVPFCZJQZIES-INIZCTEOSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000536758122 380231718 /nfs/dbraw/zinc/23/17/18/380231718.db2.gz XRNYZHFXQREUKK-OAHLLOKOSA-N 2 1 254.418 2.362 20 0 CEADMP Cn1cc(C(C)(C)[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000548729632 380554258 /nfs/dbraw/zinc/55/42/58/380554258.db2.gz MKWOBRDUESUCDG-UHFFFAOYSA-N 2 1 264.417 2.121 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC=C(C)CC2)CC1 ZINC000551268036 380640230 /nfs/dbraw/zinc/64/02/30/380640230.db2.gz MWHZMOSVJPOKPH-QGZVFWFLSA-N 2 1 279.472 2.493 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@H]1CCO ZINC000348174425 218487707 /nfs/dbraw/zinc/48/77/07/218487707.db2.gz XOMFOVDVXJQLBM-GJZGRUSLSA-N 2 1 265.401 2.112 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000549867805 380612225 /nfs/dbraw/zinc/61/22/25/380612225.db2.gz SUDZCCZAXBKEFL-AWEZNQCLSA-N 2 1 292.471 2.365 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000549867805 380612232 /nfs/dbraw/zinc/61/22/32/380612232.db2.gz SUDZCCZAXBKEFL-AWEZNQCLSA-N 2 1 292.471 2.365 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC[C@H]2C(C)C)CC1 ZINC000552223411 380694597 /nfs/dbraw/zinc/69/45/97/380694597.db2.gz WPTICFLWYCMCNF-DLBZAZTESA-N 2 1 281.488 2.428 20 0 CEADMP CC(C)[NH2+]CCC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000554302124 380763263 /nfs/dbraw/zinc/76/32/63/380763263.db2.gz AJVLMCBFNPKGCR-HNNXBMFYSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC000552865166 380715604 /nfs/dbraw/zinc/71/56/04/380715604.db2.gz DLLOECJUKCHBKR-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCCC[NH+]1CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000552865166 380715608 /nfs/dbraw/zinc/71/56/08/380715608.db2.gz DLLOECJUKCHBKR-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCCC[NH+]1CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000552865166 380715613 /nfs/dbraw/zinc/71/56/13/380715613.db2.gz DLLOECJUKCHBKR-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000037221679 542279389 /nfs/dbraw/zinc/27/93/89/542279389.db2.gz BLLFNQRNJLRMJY-DOTOQJQBSA-N 3 1 281.488 2.427 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc2cccnc12 ZINC000334785513 207071280 /nfs/dbraw/zinc/07/12/80/207071280.db2.gz SUZZZGDGAAITLT-ZDUSSCGKSA-N 2 1 255.365 2.324 20 0 CEADMP CC(C)OC1CC([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000334790440 207081270 /nfs/dbraw/zinc/08/12/70/207081270.db2.gz YCSLUIILYHUHHJ-SLTXQBBLSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)OC1CC([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000334790440 207081273 /nfs/dbraw/zinc/08/12/73/207081273.db2.gz YCSLUIILYHUHHJ-SLTXQBBLSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)OC1CC([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000334790440 207081278 /nfs/dbraw/zinc/08/12/78/207081278.db2.gz YCSLUIILYHUHHJ-SLTXQBBLSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)OC1CC([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000334790440 207081280 /nfs/dbraw/zinc/08/12/80/207081280.db2.gz YCSLUIILYHUHHJ-SLTXQBBLSA-N 2 1 266.429 2.359 20 0 CEADMP Cc1cc(F)c(C[NH+]2CCC(O)(C[NH3+])CC2)c(Cl)c1 ZINC000334819517 207133697 /nfs/dbraw/zinc/13/36/97/207133697.db2.gz IOVKEQKCSNFMSN-UHFFFAOYSA-N 2 1 286.778 2.073 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C[NH3+] ZINC000334819996 207133158 /nfs/dbraw/zinc/13/31/58/207133158.db2.gz KRUUSDYXTHEUQU-WFASDCNBSA-N 2 1 285.391 2.357 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)n21 ZINC000334843316 207172236 /nfs/dbraw/zinc/17/22/36/207172236.db2.gz OWVDKRLUBYKWLL-AWEZNQCLSA-N 2 1 272.396 2.120 20 0 CEADMP C[C@H]1C[C@@H](CN2CC[N@@H+](C)CC23CCCCC3)CC[NH2+]1 ZINC000334858240 207199937 /nfs/dbraw/zinc/19/99/37/207199937.db2.gz CDWYNWXETGDDKN-HOTGVXAUSA-N 2 1 279.472 2.325 20 0 CEADMP Cc1ncccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334871022 207220665 /nfs/dbraw/zinc/22/06/65/207220665.db2.gz WNKDPUYZDRLDGW-GOEBONIOSA-N 2 1 259.397 2.354 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289358546 197311550 /nfs/dbraw/zinc/31/15/50/197311550.db2.gz MMGQBWXRWAMWSF-CVEARBPZSA-N 2 1 262.397 2.182 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289358546 197311551 /nfs/dbraw/zinc/31/15/51/197311551.db2.gz MMGQBWXRWAMWSF-CVEARBPZSA-N 2 1 262.397 2.182 20 0 CEADMP CSc1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357066873 532987673 /nfs/dbraw/zinc/98/76/73/532987673.db2.gz CUBAQDJZYMOZNF-KBPBESRZSA-N 2 1 292.448 2.329 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357066873 532987676 /nfs/dbraw/zinc/98/76/76/532987676.db2.gz CUBAQDJZYMOZNF-KBPBESRZSA-N 2 1 292.448 2.329 20 0 CEADMP Cc1ccc(C)c(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000335254152 208035532 /nfs/dbraw/zinc/03/55/32/208035532.db2.gz VLMYYQYWGHZXCU-KRWDZBQOSA-N 2 1 288.435 2.491 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CC[C@@H]1[NH3+] ZINC000335265077 208057558 /nfs/dbraw/zinc/05/75/58/208057558.db2.gz FLVXJQYVPUNGGZ-FZMZJTMJSA-N 2 1 276.409 2.103 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)Cc1ccccc1)CC2 ZINC000374611422 220295621 /nfs/dbraw/zinc/29/56/21/220295621.db2.gz JSFCJRRZTUHYOW-KRWDZBQOSA-N 2 1 288.435 2.150 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)Cc1ccccc1)CC2 ZINC000374611422 220295626 /nfs/dbraw/zinc/29/56/26/220295626.db2.gz JSFCJRRZTUHYOW-KRWDZBQOSA-N 2 1 288.435 2.150 20 0 CEADMP COCCOc1ccccc1C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415074387 285119212 /nfs/dbraw/zinc/11/92/12/285119212.db2.gz CLJKZOJBTBRAFZ-ZBFHGGJFSA-N 2 1 292.423 2.332 20 0 CEADMP COCC[C@@H]1CCCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261831675 285144464 /nfs/dbraw/zinc/14/44/64/285144464.db2.gz JEEAUNVQOJEJFQ-GJZGRUSLSA-N 2 1 254.418 2.125 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CCC[NH+](C)C)ccc1F ZINC000152545177 533113956 /nfs/dbraw/zinc/11/39/56/533113956.db2.gz DDBSLOFPCCUQPG-LLVKDONJSA-N 2 1 254.349 2.437 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CCOC)CC1 ZINC000337407380 285192537 /nfs/dbraw/zinc/19/25/37/285192537.db2.gz SZWZDBUHWLSLQT-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP COC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000228147860 285234892 /nfs/dbraw/zinc/23/48/92/285234892.db2.gz JKQYDSRXPJFUCM-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)Cc1ccccc1 ZINC000281428732 195235919 /nfs/dbraw/zinc/23/59/19/195235919.db2.gz SEQUGAHEKXANIX-KRWDZBQOSA-N 2 1 276.424 2.008 20 0 CEADMP CC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000281647589 195321307 /nfs/dbraw/zinc/32/13/07/195321307.db2.gz NECXFKOVYIAWLZ-UAGQMJEPSA-N 2 1 276.424 2.258 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000248860617 285375969 /nfs/dbraw/zinc/37/59/69/285375969.db2.gz GBFZEIJLYXZTRS-JKSUJKDBSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000248860617 285375970 /nfs/dbraw/zinc/37/59/70/285375970.db2.gz GBFZEIJLYXZTRS-JKSUJKDBSA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000248860617 285375971 /nfs/dbraw/zinc/37/59/71/285375971.db2.gz GBFZEIJLYXZTRS-JKSUJKDBSA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC000347189977 285376547 /nfs/dbraw/zinc/37/65/47/285376547.db2.gz AXNZQRYKZQUCSD-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000336801429 285396217 /nfs/dbraw/zinc/39/62/17/285396217.db2.gz QBGAPHMRLICEPD-XHSDSOJGSA-N 2 1 267.461 2.133 20 0 CEADMP CC[NH+]1CC[C@H](N(C)CC[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000336801429 285396219 /nfs/dbraw/zinc/39/62/19/285396219.db2.gz QBGAPHMRLICEPD-XHSDSOJGSA-N 2 1 267.461 2.133 20 0 CEADMP CC[NH+]1CC[C@H](N(C)CC[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000336801429 285396220 /nfs/dbraw/zinc/39/62/20/285396220.db2.gz QBGAPHMRLICEPD-XHSDSOJGSA-N 2 1 267.461 2.133 20 0 CEADMP CSC1(CNc2[nH]c3ccccc3[nH+]2)CC[NH+](C)CC1 ZINC000357549438 533482708 /nfs/dbraw/zinc/48/27/08/533482708.db2.gz PGYWBAQQEIHHPO-UHFFFAOYSA-N 2 1 290.436 2.224 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@H](O)C1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000420956323 394453767 /nfs/dbraw/zinc/45/37/67/394453767.db2.gz ZDIXYCPCSOEVSE-WOVMCDHWSA-N 2 1 289.423 2.001 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421021124 394468605 /nfs/dbraw/zinc/46/86/05/394468605.db2.gz SEGMJEVIQUBPNP-OAHLLOKOSA-N 2 1 256.434 2.203 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000305119655 394493877 /nfs/dbraw/zinc/49/38/77/394493877.db2.gz GPFGEKXNQUCNQQ-JONQDZQNSA-N 2 1 270.461 2.492 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000044535140 394506888 /nfs/dbraw/zinc/50/68/88/394506888.db2.gz PKHPYJVUSGBNJI-GFCCVEGCSA-N 2 1 254.324 2.396 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000044535140 394506891 /nfs/dbraw/zinc/50/68/91/394506891.db2.gz PKHPYJVUSGBNJI-GFCCVEGCSA-N 2 1 254.324 2.396 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccco3)CC2)CC1 ZINC000421381871 394519301 /nfs/dbraw/zinc/51/93/01/394519301.db2.gz XGQHRBXNDDLVTH-UHFFFAOYSA-N 2 1 291.439 2.272 20 0 CEADMP Cc1ncsc1CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308638555 394529655 /nfs/dbraw/zinc/52/96/55/394529655.db2.gz XBGYZWXYBNGGBA-UHFFFAOYSA-N 2 1 267.442 2.458 20 0 CEADMP CC[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000247980609 394536441 /nfs/dbraw/zinc/53/64/41/394536441.db2.gz MKRVDCJOSVXLAQ-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257723706 394597351 /nfs/dbraw/zinc/59/73/51/394597351.db2.gz WASJXCSMPDCRRM-INIZCTEOSA-N 2 1 260.381 2.059 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCCC1 ZINC000421819778 394604895 /nfs/dbraw/zinc/60/48/95/394604895.db2.gz IZMLHFOYIBFVRP-UONOGXRCSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCC2(O)CCC2)[C@@H]2CCC[C@H]21 ZINC000421854445 394617134 /nfs/dbraw/zinc/61/71/34/394617134.db2.gz KOIDMXULPYCISI-SOUVJXGZSA-N 2 1 266.429 2.144 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCOC2)CC1 ZINC000356863688 394634471 /nfs/dbraw/zinc/63/44/71/394634471.db2.gz BNAZIYQOPFEWFT-HOTGVXAUSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NC2CCCCCC2)C[C@@H]1C[NH3+] ZINC000332269148 394636379 /nfs/dbraw/zinc/63/63/79/394636379.db2.gz FXXRZRGPBHAVCD-ILXRZTDVSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC2CCCCCC2)C[C@@H]1C[NH3+] ZINC000332269148 394636383 /nfs/dbraw/zinc/63/63/83/394636383.db2.gz FXXRZRGPBHAVCD-ILXRZTDVSA-N 2 1 295.471 2.131 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422708143 394731022 /nfs/dbraw/zinc/73/10/22/394731022.db2.gz XCAACSDHUPVOKX-ILXRZTDVSA-N 2 1 254.418 2.048 20 0 CEADMP C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000422710262 394733245 /nfs/dbraw/zinc/73/32/45/394733245.db2.gz FNFJKMBGSDGZIF-NFAWXSAZSA-N 2 1 293.480 2.225 20 0 CEADMP C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000422710262 394733248 /nfs/dbraw/zinc/73/32/48/394733248.db2.gz FNFJKMBGSDGZIF-NFAWXSAZSA-N 2 1 293.480 2.225 20 0 CEADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000414229259 394736129 /nfs/dbraw/zinc/73/61/29/394736129.db2.gz ZTEKDBFDEGJHEV-SDNTUTLCSA-N 2 1 274.408 2.371 20 0 CEADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000414229259 394736132 /nfs/dbraw/zinc/73/61/32/394736132.db2.gz ZTEKDBFDEGJHEV-SDNTUTLCSA-N 2 1 274.408 2.371 20 0 CEADMP COc1cccc(N2CC[C@@H]([NH2+][C@H](C)[C@H]3CCC[NH2+]3)C2)c1 ZINC000422715098 394736220 /nfs/dbraw/zinc/73/62/20/394736220.db2.gz RPMOYROMQAWFRI-CKEIUWERSA-N 2 1 289.423 2.004 20 0 CEADMP C[N@H+](CCOCC[NH3+])Cc1cccc(Cl)c1Cl ZINC000357032704 394687494 /nfs/dbraw/zinc/68/74/94/394687494.db2.gz RZMGJLRGXNHYAE-UHFFFAOYSA-N 2 1 277.195 2.401 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1cccc(Cl)c1Cl ZINC000357032704 394687500 /nfs/dbraw/zinc/68/75/00/394687500.db2.gz RZMGJLRGXNHYAE-UHFFFAOYSA-N 2 1 277.195 2.401 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000357078893 394695464 /nfs/dbraw/zinc/69/54/64/394695464.db2.gz KLQLFBCIFKORSN-SFHVURJKSA-N 2 1 288.435 2.332 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(F)(F)F)CC[C@@H]21 ZINC000334694502 394705444 /nfs/dbraw/zinc/70/54/44/394705444.db2.gz IXOBWPUODZPEPA-MNOVXSKESA-N 2 1 250.308 2.355 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(F)(F)F)CC[C@@H]21 ZINC000334694502 394705446 /nfs/dbraw/zinc/70/54/46/394705446.db2.gz IXOBWPUODZPEPA-MNOVXSKESA-N 2 1 250.308 2.355 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(F)(F)F)CC[C@@H]21 ZINC000334694502 394705448 /nfs/dbraw/zinc/70/54/48/394705448.db2.gz IXOBWPUODZPEPA-MNOVXSKESA-N 2 1 250.308 2.355 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422735240 394747101 /nfs/dbraw/zinc/74/71/01/394747101.db2.gz DQJSXBZGXLTNNP-JYJNAYRXSA-N 2 1 267.461 2.227 20 0 CEADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358264178 394714794 /nfs/dbraw/zinc/71/47/94/394714794.db2.gz YOLBQEBBKGLBGP-ZNMIVQPWSA-N 2 1 256.434 2.103 20 0 CEADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358264178 394714796 /nfs/dbraw/zinc/71/47/96/394714796.db2.gz YOLBQEBBKGLBGP-ZNMIVQPWSA-N 2 1 256.434 2.103 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OCC)C2)[C@H](C)C1 ZINC000414150014 394717460 /nfs/dbraw/zinc/71/74/60/394717460.db2.gz ULVMFXWIYMFQER-NCOADZHNSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1C[C@H]1C ZINC000414156916 394718846 /nfs/dbraw/zinc/71/88/46/394718846.db2.gz VPKWBPPMCUTWBN-TUVASFSCSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H]1C[C@H]1C ZINC000414156916 394718850 /nfs/dbraw/zinc/71/88/50/394718850.db2.gz VPKWBPPMCUTWBN-TUVASFSCSA-N 2 1 254.418 2.121 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000358687473 394726831 /nfs/dbraw/zinc/72/68/31/394726831.db2.gz ICLKLRFRFCNTEM-HRCADAONSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccn(C)n1 ZINC000414199374 394729126 /nfs/dbraw/zinc/72/91/26/394729126.db2.gz WVNQFKNBNYMKIF-KBPBESRZSA-N 2 1 264.417 2.193 20 0 CEADMP FC(F)n1ccnc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784870 394750630 /nfs/dbraw/zinc/75/06/30/394750630.db2.gz RRCARNWTEJVHBT-VXGBXAGGSA-N 2 1 284.354 2.100 20 0 CEADMP FC(F)n1ccnc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784870 394750633 /nfs/dbraw/zinc/75/06/33/394750633.db2.gz RRCARNWTEJVHBT-VXGBXAGGSA-N 2 1 284.354 2.100 20 0 CEADMP Cc1ccccc1OCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422739728 394750635 /nfs/dbraw/zinc/75/06/35/394750635.db2.gz LSDQZCYQBMHTFS-DZGCQCFKSA-N 2 1 262.397 2.352 20 0 CEADMP COCC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@H]1CC[C@@H](C)C1 ZINC000414754185 394750739 /nfs/dbraw/zinc/75/07/39/394750739.db2.gz NNSTUXCIPSLCBO-KFWWJZLASA-N 2 1 256.434 2.497 20 0 CEADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414788528 394750843 /nfs/dbraw/zinc/75/08/43/394750843.db2.gz WWMLINHVNMHSEQ-JKSUJKDBSA-N 2 1 290.455 2.460 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414794775 394752105 /nfs/dbraw/zinc/75/21/05/394752105.db2.gz MDVPPEXUUNKJFQ-DJIMGWMZSA-N 2 1 275.440 2.395 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000414809837 394752488 /nfs/dbraw/zinc/75/24/88/394752488.db2.gz HCDAMSFXSOZECV-GFCCVEGCSA-N 2 1 281.366 2.120 20 0 CEADMP C[C@H]([NH3+])CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414822624 394753454 /nfs/dbraw/zinc/75/34/54/394753454.db2.gz NHPDUKJCBIMZSN-UXLLHSPISA-N 2 1 275.440 2.366 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422744398 394754226 /nfs/dbraw/zinc/75/42/26/394754226.db2.gz SUEKUNKRBKDGLR-HZPDHXFCSA-N 2 1 261.413 2.108 20 0 CEADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422744398 394754227 /nfs/dbraw/zinc/75/42/27/394754227.db2.gz SUEKUNKRBKDGLR-HZPDHXFCSA-N 3 1 261.413 2.108 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422744398 394754230 /nfs/dbraw/zinc/75/42/30/394754230.db2.gz SUEKUNKRBKDGLR-HZPDHXFCSA-N 3 1 261.413 2.108 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OC)cc1OC(F)F ZINC000414830253 394758020 /nfs/dbraw/zinc/75/80/20/394758020.db2.gz BZPXARQLIQSHNE-SNVBAGLBSA-N 2 1 288.338 2.242 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1ccccc1)[NH+](C)C ZINC000422750530 394758477 /nfs/dbraw/zinc/75/84/77/394758477.db2.gz DEUSEOCDHQYTGJ-OIISXLGYSA-N 2 1 275.440 2.267 20 0 CEADMP C[NH2+]CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414831482 394759302 /nfs/dbraw/zinc/75/93/02/394759302.db2.gz PRWXGMVZLCVBAS-JTQLQIEISA-N 2 1 260.303 2.445 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000422752412 394759952 /nfs/dbraw/zinc/75/99/52/394759952.db2.gz FBEBHWXCQRGTLY-HZSPNIEDSA-N 2 1 255.450 2.212 20 0 CEADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)COCc1ccccc1 ZINC000422753138 394760162 /nfs/dbraw/zinc/76/01/62/394760162.db2.gz DRBYRZCYSMZOBA-VYDXJSESSA-N 2 1 276.424 2.427 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c(Cl)c1 ZINC000414953784 394822738 /nfs/dbraw/zinc/82/27/38/394822738.db2.gz KCXBESKGTDWESF-HZMBPMFUSA-N 2 1 268.788 2.436 20 0 CEADMP C[C@@H]([NH2+]CCN1c2ccccc2C[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422759872 394764192 /nfs/dbraw/zinc/76/41/92/394764192.db2.gz KHJUMLIHVPHYNE-LZWOXQAQSA-N 2 1 273.424 2.168 20 0 CEADMP C[N@H+](CCN[C@H]1CCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000422759180 394764253 /nfs/dbraw/zinc/76/42/53/394764253.db2.gz KUYXMTQDNWBGRB-IRXDYDNUSA-N 2 1 275.440 2.368 20 0 CEADMP C[N@@H+](CCN[C@H]1CCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000422759180 394764257 /nfs/dbraw/zinc/76/42/57/394764257.db2.gz KUYXMTQDNWBGRB-IRXDYDNUSA-N 2 1 275.440 2.368 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CCC(C)C)C1 ZINC000361300384 394822928 /nfs/dbraw/zinc/82/29/28/394822928.db2.gz KXIYSZGUGJBZOJ-HOTGVXAUSA-N 2 1 270.461 2.447 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CCC(C)C)C1 ZINC000361300384 394822932 /nfs/dbraw/zinc/82/29/32/394822932.db2.gz KXIYSZGUGJBZOJ-HOTGVXAUSA-N 2 1 270.461 2.447 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000414847584 394767619 /nfs/dbraw/zinc/76/76/19/394767619.db2.gz WBCUJGVDACFCRR-HLLBOEOZSA-N 3 1 281.488 2.475 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422771679 394773646 /nfs/dbraw/zinc/77/36/46/394773646.db2.gz XRRZEJWSNPRTCC-XIRDDKMYSA-N 2 1 294.414 2.097 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000414855903 394774016 /nfs/dbraw/zinc/77/40/16/394774016.db2.gz XVLODXOFQKMUTM-INIZCTEOSA-N 2 1 290.407 2.470 20 0 CEADMP C[N@@H+](CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000422776638 394776452 /nfs/dbraw/zinc/77/64/52/394776452.db2.gz ASLMUCMIMNVPCO-JWTNVVGKSA-N 2 1 287.451 2.381 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000422778547 394777343 /nfs/dbraw/zinc/77/73/43/394777343.db2.gz DULROKLEJPDFIP-ZDUSSCGKSA-N 3 1 276.428 2.267 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1O ZINC000414866127 394778037 /nfs/dbraw/zinc/77/80/37/394778037.db2.gz MEXMCCRFRDLFCB-JSGCOSHPSA-N 2 1 278.396 2.064 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CCC1 ZINC000414875884 394782830 /nfs/dbraw/zinc/78/28/30/394782830.db2.gz KLTMQNJJIWSJHW-UHFFFAOYSA-N 2 1 274.286 2.398 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCCOCC1 ZINC000359989409 394783258 /nfs/dbraw/zinc/78/32/58/394783258.db2.gz XVLXPSKQVOKKPN-LSDHHAIUSA-N 2 1 254.418 2.410 20 0 CEADMP C[C@H](C[NH3+])CN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414882301 394786885 /nfs/dbraw/zinc/78/68/85/394786885.db2.gz TYAUSSSZGCEKAO-IJEWVQPXSA-N 2 1 261.413 2.006 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414882301 394786889 /nfs/dbraw/zinc/78/68/89/394786889.db2.gz TYAUSSSZGCEKAO-IJEWVQPXSA-N 2 1 261.413 2.006 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422788488 394787063 /nfs/dbraw/zinc/78/70/63/394787063.db2.gz AVCIHEPOXJYFOY-GVDBMIGSSA-N 2 1 279.472 2.358 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccccc1Cl ZINC000422790270 394787790 /nfs/dbraw/zinc/78/77/90/394787790.db2.gz XMWNODFCGWHKLZ-SMDDNHRTSA-N 2 1 252.789 2.470 20 0 CEADMP Cc1ccc(C[NH2+]C[C@@H](C)C[NH3+])c(Br)c1 ZINC000414885507 394787986 /nfs/dbraw/zinc/78/79/86/394787986.db2.gz XBMAXRLMLYREGN-JTQLQIEISA-N 2 1 271.202 2.442 20 0 CEADMP [NH3+][C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000414887886 394788971 /nfs/dbraw/zinc/78/89/71/394788971.db2.gz JEYXNOSOSQDGSD-WJFTUGDTSA-N 2 1 299.462 2.224 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@H]([NH3+])C2CC2)C1 ZINC000414887231 394789153 /nfs/dbraw/zinc/78/91/53/394789153.db2.gz IAYMGRMAIGEZQG-COXVUDFISA-N 2 1 273.424 2.149 20 0 CEADMP CC[C@@H](N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422791819 394789609 /nfs/dbraw/zinc/78/96/09/394789609.db2.gz DGRXTXROGBKEJA-BBWFWOEESA-N 2 1 279.472 2.371 20 0 CEADMP Cc1ncc(C[NH2+]CCC[NH2+]Cc2cccnc2)s1 ZINC000414890093 394790533 /nfs/dbraw/zinc/79/05/33/394790533.db2.gz ZDNUUYQVJSCUNI-UHFFFAOYSA-N 2 1 276.409 2.116 20 0 CEADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422794356 394791236 /nfs/dbraw/zinc/79/12/36/394791236.db2.gz UFFBJBWQBLOXID-IRXDYDNUSA-N 3 1 275.440 2.498 20 0 CEADMP COc1ccc(OC)c(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000414896494 394793870 /nfs/dbraw/zinc/79/38/70/394793870.db2.gz CDLZCSPIQXTVJV-MRXNPFEDSA-N 2 1 278.396 2.183 20 0 CEADMP C[C@@H](NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422800903 394795717 /nfs/dbraw/zinc/79/57/17/394795717.db2.gz DFGIUUMZDDERIQ-YUELXQCFSA-N 2 1 281.469 2.471 20 0 CEADMP C[C@@]1(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CCC[NH2+]C1 ZINC000414900753 394795835 /nfs/dbraw/zinc/79/58/35/394795835.db2.gz IWSQJXMKXYBGRQ-UKRRQHHQSA-N 2 1 295.452 2.474 20 0 CEADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1OC(C)C ZINC000414902338 394796515 /nfs/dbraw/zinc/79/65/15/394796515.db2.gz YBSHEKKHEPBOJG-CQSZACIVSA-N 2 1 278.396 2.309 20 0 CEADMP CCN(CC)c1ncc(C[NH2+]CC[C@H]2CCC[NH2+]2)s1 ZINC000414906135 394798035 /nfs/dbraw/zinc/79/80/35/394798035.db2.gz OWNPAIYWJDOBMA-GFCCVEGCSA-N 2 1 282.457 2.221 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C2CCCCCC2)C1 ZINC000360371987 394798348 /nfs/dbraw/zinc/79/83/48/394798348.db2.gz SRBKNAHAXCBTBE-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000360371987 394798351 /nfs/dbraw/zinc/79/83/51/394798351.db2.gz SRBKNAHAXCBTBE-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000360371987 394798353 /nfs/dbraw/zinc/79/83/53/394798353.db2.gz SRBKNAHAXCBTBE-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+][C@@H](c1nccn1C)c1ccccc1F ZINC000422806014 394800014 /nfs/dbraw/zinc/80/00/14/394800014.db2.gz HPGIGCDIBIFTFO-IUODEOHRSA-N 2 1 290.386 2.366 20 0 CEADMP Cc1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])nc2c1 ZINC000422810510 394803321 /nfs/dbraw/zinc/80/33/21/394803321.db2.gz NIARNASELGRBIP-VXGBXAGGSA-N 2 1 258.369 2.088 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])[nH]c2c1 ZINC000422810510 394803324 /nfs/dbraw/zinc/80/33/24/394803324.db2.gz NIARNASELGRBIP-VXGBXAGGSA-N 2 1 258.369 2.088 20 0 CEADMP C[NH+](C)Cc1cnc(CNC[C@H]2[NH2+]CCCC2(C)C)s1 ZINC000414921464 394804620 /nfs/dbraw/zinc/80/46/20/394804620.db2.gz BOCVEYZHDDLMTH-CYBMUJFWSA-N 2 1 296.484 2.073 20 0 CEADMP CN(C)C(=O)c1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422812872 394805640 /nfs/dbraw/zinc/80/56/40/394805640.db2.gz XCZOBVZTWAFLKZ-HOTGVXAUSA-N 2 1 289.423 2.138 20 0 CEADMP C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1c[nH+]ccc1N ZINC000422815209 394807807 /nfs/dbraw/zinc/80/78/07/394807807.db2.gz AVFRHJAFZKCSLL-GFCCVEGCSA-N 2 1 281.363 2.035 20 0 CEADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000422820607 394810765 /nfs/dbraw/zinc/81/07/65/394810765.db2.gz RKDZKEFHGOOWMK-ZQDZILKHSA-N 2 1 286.485 2.407 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)C[NH+]1CCCCC1 ZINC000422825674 394813784 /nfs/dbraw/zinc/81/37/84/394813784.db2.gz AOIOCYZTEHTICC-ZIAGYGMSSA-N 2 1 290.455 2.374 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422830565 394817072 /nfs/dbraw/zinc/81/70/72/394817072.db2.gz IRERVNIODCCIEH-ZOBUZTSGSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422830565 394817075 /nfs/dbraw/zinc/81/70/75/394817075.db2.gz IRERVNIODCCIEH-ZOBUZTSGSA-N 2 1 275.440 2.366 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414947410 394818376 /nfs/dbraw/zinc/81/83/76/394818376.db2.gz KTUWUXVCBMQESC-SMDDNHRTSA-N 2 1 250.390 2.003 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cccc3c2OCCCO3)CC[NH2+]1 ZINC000414947424 394818446 /nfs/dbraw/zinc/81/84/46/394818446.db2.gz KVADUEWCLCCCPU-GXTWGEPZSA-N 2 1 276.380 2.078 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN[C@H](CCC[NH3+])c1ccccc1 ZINC000415051915 394865238 /nfs/dbraw/zinc/86/52/38/394865238.db2.gz JXOYAGJWNWWUKJ-HZPDHXFCSA-N 2 1 263.429 2.430 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C[C@@H]1C ZINC000129455288 394866196 /nfs/dbraw/zinc/86/61/96/394866196.db2.gz VIKJJXKXBWDEGU-IXDOHACOSA-N 2 1 281.488 2.428 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415061723 394869809 /nfs/dbraw/zinc/86/98/09/394869809.db2.gz XBXSIHKDNBCMRD-IUODEOHRSA-N 2 1 264.417 2.189 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415061723 394869813 /nfs/dbraw/zinc/86/98/13/394869813.db2.gz XBXSIHKDNBCMRD-IUODEOHRSA-N 2 1 264.417 2.189 20 0 CEADMP CC(C)[NH+](CCN[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000129677778 394871419 /nfs/dbraw/zinc/87/14/19/394871419.db2.gz OBNPVMBZZSQGRV-CABCVRRESA-N 2 1 255.450 2.178 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C(C)C ZINC000363788103 394885244 /nfs/dbraw/zinc/88/52/44/394885244.db2.gz WELWMVRMKRNSRF-TWMKSMIVSA-N 2 1 298.471 2.136 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C(C)C ZINC000363788103 394885246 /nfs/dbraw/zinc/88/52/46/394885246.db2.gz WELWMVRMKRNSRF-TWMKSMIVSA-N 2 1 298.471 2.136 20 0 CEADMP CSc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000422985151 394873812 /nfs/dbraw/zinc/87/38/12/394873812.db2.gz CGYJYBCVOBHYDR-FUNVUKJBSA-N 2 1 263.410 2.176 20 0 CEADMP Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H](C)C2C[NH2+]C2)c(C)c1 ZINC000423008255 394878400 /nfs/dbraw/zinc/87/84/00/394878400.db2.gz ZPKHTMFJDQNIFK-CRAIPNDOSA-N 2 1 298.434 2.439 20 0 CEADMP CC[C@H](NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422855228 394831784 /nfs/dbraw/zinc/83/17/84/394831784.db2.gz DTHFDVRABHTPFH-FZKCQIBNSA-N 2 1 267.461 2.227 20 0 CEADMP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000423013507 394882791 /nfs/dbraw/zinc/88/27/91/394882791.db2.gz NACIVVXILGMQEB-HRCADAONSA-N 2 1 288.439 2.158 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422855864 394832112 /nfs/dbraw/zinc/83/21/12/394832112.db2.gz FMSIRXXFWUVDFM-YYIAUSFCSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@@H]1CCCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422855864 394832114 /nfs/dbraw/zinc/83/21/14/394832114.db2.gz FMSIRXXFWUVDFM-YYIAUSFCSA-N 2 1 279.472 2.229 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000414973879 394833012 /nfs/dbraw/zinc/83/30/12/394833012.db2.gz NBOINDAKDDMGBW-OAHLLOKOSA-N 2 1 288.439 2.160 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000414976608 394833548 /nfs/dbraw/zinc/83/35/48/394833548.db2.gz ILFUQEHRDCSAFF-NSHDSACASA-N 2 1 262.332 2.043 20 0 CEADMP C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1c[nH+]ccc1N ZINC000422858091 394833871 /nfs/dbraw/zinc/83/38/71/394833871.db2.gz IIBDGKOVTXCXML-JTQLQIEISA-N 2 1 290.333 2.029 20 0 CEADMP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414978718 394834434 /nfs/dbraw/zinc/83/44/34/394834434.db2.gz SHLOPOZIOKJXFP-ROUUACIJSA-N 2 1 289.467 2.281 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc(OC)c1 ZINC000414978236 394834459 /nfs/dbraw/zinc/83/44/59/394834459.db2.gz SYSOXTHYBOYAOO-HNNXBMFYSA-N 2 1 278.396 2.182 20 0 CEADMP C[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000422862326 394836180 /nfs/dbraw/zinc/83/61/80/394836180.db2.gz NNTNPIIBIHTXRV-LVQVYYBASA-N 2 1 267.461 2.370 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000422862071 394836262 /nfs/dbraw/zinc/83/62/62/394836262.db2.gz JUEAZKWCBYAWGH-CORIIIEPSA-N 2 1 288.439 2.125 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000422862071 394836265 /nfs/dbraw/zinc/83/62/65/394836265.db2.gz JUEAZKWCBYAWGH-CORIIIEPSA-N 2 1 288.439 2.125 20 0 CEADMP C[C@H](N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422864371 394837314 /nfs/dbraw/zinc/83/73/14/394837314.db2.gz UVJMVWWIYUBBGT-OFQRWUPVSA-N 2 1 265.445 2.124 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422868745 394839762 /nfs/dbraw/zinc/83/97/62/394839762.db2.gz VUCFFTMGKHCSAH-IRXDYDNUSA-N 2 1 275.440 2.496 20 0 CEADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422868745 394839764 /nfs/dbraw/zinc/83/97/64/394839764.db2.gz VUCFFTMGKHCSAH-IRXDYDNUSA-N 3 1 275.440 2.496 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422868745 394839768 /nfs/dbraw/zinc/83/97/68/394839768.db2.gz VUCFFTMGKHCSAH-IRXDYDNUSA-N 3 1 275.440 2.496 20 0 CEADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422868108 394839843 /nfs/dbraw/zinc/83/98/43/394839843.db2.gz ULGLBKDUHFJATK-HZPDHXFCSA-N 2 1 289.423 2.186 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422877330 394844799 /nfs/dbraw/zinc/84/47/99/394844799.db2.gz HRCIVRUWLQVOFK-JYJNAYRXSA-N 3 1 267.461 2.371 20 0 CEADMP C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422877330 394844802 /nfs/dbraw/zinc/84/48/02/394844802.db2.gz HRCIVRUWLQVOFK-JYJNAYRXSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422877330 394844803 /nfs/dbraw/zinc/84/48/03/394844803.db2.gz HRCIVRUWLQVOFK-JYJNAYRXSA-N 2 1 267.461 2.371 20 0 CEADMP Cc1nc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)sc1C ZINC000422886926 394850390 /nfs/dbraw/zinc/85/03/90/394850390.db2.gz AALQKLSETFPVKT-YPMHNXCESA-N 2 1 267.442 2.423 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H]([NH+](CC)CC)C1 ZINC000280818377 394852025 /nfs/dbraw/zinc/85/20/25/394852025.db2.gz XSEBVBSVFWSNID-CYBMUJFWSA-N 2 1 291.395 2.179 20 0 CEADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CCC[NH3+])CCCC2)CC1 ZINC000422892937 394853054 /nfs/dbraw/zinc/85/30/54/394853054.db2.gz ZUQLGMKNQLFJMP-HNNXBMFYSA-N 3 1 297.487 2.127 20 0 CEADMP C[C@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1c[nH+]ccc1N ZINC000422892459 394853127 /nfs/dbraw/zinc/85/31/27/394853127.db2.gz YPGUGGDROQWVJD-MJBXVCDLSA-N 2 1 276.428 2.408 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H](C)C2C[NH2+]C2)C1 ZINC000422904315 394857051 /nfs/dbraw/zinc/85/70/51/394857051.db2.gz GUEDVXHJSDAAMD-UONOGXRCSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H](NC[C@H]1CCC[N@H+]1CC1CCCCC1)C1C[NH2+]C1 ZINC000422910931 394859421 /nfs/dbraw/zinc/85/94/21/394859421.db2.gz RWJQWWCUPZXBJD-WMLDXEAASA-N 2 1 279.472 2.229 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422910242 394859630 /nfs/dbraw/zinc/85/96/30/394859630.db2.gz PXNCYRBFZPLQEU-QWHCGFSZSA-N 2 1 278.444 2.230 20 0 CEADMP CC[C@H](C)N(C)CC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422910242 394859632 /nfs/dbraw/zinc/85/96/32/394859632.db2.gz PXNCYRBFZPLQEU-QWHCGFSZSA-N 2 1 278.444 2.230 20 0 CEADMP C([C@@H]1CCSC1)[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415041268 394860498 /nfs/dbraw/zinc/86/04/98/394860498.db2.gz LHCRVAWMCJGDDS-BFHYXJOUSA-N 2 1 254.443 2.204 20 0 CEADMP COc1ccc2cc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)ccc2c1 ZINC000415044953 394861759 /nfs/dbraw/zinc/86/17/59/394861759.db2.gz VMGNKFZJZQJUQF-FVQHAEBGSA-N 2 1 268.360 2.156 20 0 CEADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415044907 394861771 /nfs/dbraw/zinc/86/17/71/394861771.db2.gz CCQVSRUQSXUMNB-HOCLYGCPSA-N 2 1 295.471 2.275 20 0 CEADMP COCCCCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000130448572 394887456 /nfs/dbraw/zinc/88/74/56/394887456.db2.gz MJPWFYWHVXJJPA-UHFFFAOYSA-N 2 1 253.390 2.330 20 0 CEADMP COCCCCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130448572 394887457 /nfs/dbraw/zinc/88/74/57/394887457.db2.gz MJPWFYWHVXJJPA-UHFFFAOYSA-N 2 1 253.390 2.330 20 0 CEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363794748 394887017 /nfs/dbraw/zinc/88/70/17/394887017.db2.gz WUKXOAXUCANPJR-LXTVHRRPSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363794748 394887020 /nfs/dbraw/zinc/88/70/20/394887020.db2.gz WUKXOAXUCANPJR-LXTVHRRPSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423245076 394888949 /nfs/dbraw/zinc/88/89/49/394888949.db2.gz YCDJESDQKQSDTB-BBWFWOEESA-N 2 1 273.424 2.164 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000423338669 394891140 /nfs/dbraw/zinc/89/11/40/394891140.db2.gz UTBIUTDVEQPZFP-OAGGEKHMSA-N 2 1 295.471 2.003 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@H]1C)CCO2 ZINC000130687826 394892859 /nfs/dbraw/zinc/89/28/59/394892859.db2.gz DWJXLUDAXAJKJT-UHOFOFEASA-N 2 1 290.407 2.449 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)CCO2 ZINC000130687826 394892862 /nfs/dbraw/zinc/89/28/62/394892862.db2.gz DWJXLUDAXAJKJT-UHOFOFEASA-N 2 1 290.407 2.449 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000423345752 394894615 /nfs/dbraw/zinc/89/46/15/394894615.db2.gz YZLLMVUMGBZDFH-UONOGXRCSA-N 2 1 289.423 2.311 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000415131462 394900458 /nfs/dbraw/zinc/90/04/58/394900458.db2.gz SHNOHASDTCOYBO-HOCLYGCPSA-N 2 1 290.455 2.343 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000423363968 394901506 /nfs/dbraw/zinc/90/15/06/394901506.db2.gz OKCNIKGVUSDCNC-KBXIAJHMSA-N 2 1 276.428 2.034 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000423367191 394902231 /nfs/dbraw/zinc/90/22/31/394902231.db2.gz DEWUHUHHSMXCPG-BZPMIXESSA-N 2 1 250.390 2.255 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C[C@@H]1C[NH3+] ZINC000415138712 394902460 /nfs/dbraw/zinc/90/24/60/394902460.db2.gz ZBMALNHSQYZFEX-OLZOCXBDSA-N 2 1 290.436 2.351 20 0 CEADMP C[NH2+][C@H](C)C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000423375518 394906536 /nfs/dbraw/zinc/90/65/36/394906536.db2.gz AGUQEOKVWYFIPI-QWHCGFSZSA-N 2 1 280.412 2.141 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc(OC)c1 ZINC000131533319 394914114 /nfs/dbraw/zinc/91/41/14/394914114.db2.gz PMAGAHAIPGUFSN-YPMHNXCESA-N 2 1 264.369 2.015 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc(OC)c1 ZINC000131533319 394914118 /nfs/dbraw/zinc/91/41/18/394914118.db2.gz PMAGAHAIPGUFSN-YPMHNXCESA-N 2 1 264.369 2.015 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000423442297 394922315 /nfs/dbraw/zinc/92/23/15/394922315.db2.gz BOAZBYUYIUIWAN-NEPJUHHUSA-N 2 1 266.385 2.400 20 0 CEADMP Cc1ccc([C@H](CCn2cncn2)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000423450190 394923099 /nfs/dbraw/zinc/92/30/99/394923099.db2.gz SQCDUZOTOFKTSN-LZWOXQAQSA-N 2 1 287.411 2.043 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc21 ZINC000423490538 394934681 /nfs/dbraw/zinc/93/46/81/394934681.db2.gz HXPPCRQXFUJSLV-XJKCOSOUSA-N 2 1 260.381 2.203 20 0 CEADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423493743 394935598 /nfs/dbraw/zinc/93/55/98/394935598.db2.gz QZUYGVFPGNCZGM-PBFPGSCMSA-N 2 1 292.398 2.417 20 0 CEADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C1 ZINC000423498748 394936266 /nfs/dbraw/zinc/93/62/66/394936266.db2.gz BYKBVASZNBPYIO-HRCADAONSA-N 2 1 267.461 2.085 20 0 CEADMP CC(C)[C@H]1CC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423505609 394939240 /nfs/dbraw/zinc/93/92/40/394939240.db2.gz HFWZQSLVOVCMCQ-BACDZXNISA-N 2 1 279.472 2.227 20 0 CEADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@H]1CC1(C)C ZINC000423506263 394939430 /nfs/dbraw/zinc/93/94/30/394939430.db2.gz IAORNFCKHXCKTE-SLTXQBBLSA-N 2 1 279.472 2.227 20 0 CEADMP CC[N@@H+]1C[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H](C)C1 ZINC000423527431 394946237 /nfs/dbraw/zinc/94/62/37/394946237.db2.gz MLTKGAYJSYGVDP-RLIYEPBISA-N 2 1 291.483 2.070 20 0 CEADMP CCN1C[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H](C)C1 ZINC000423527431 394946240 /nfs/dbraw/zinc/94/62/40/394946240.db2.gz MLTKGAYJSYGVDP-RLIYEPBISA-N 2 1 291.483 2.070 20 0 CEADMP CC[N@@H+]1CC[C@H](N[C@H]2C[NH+](C)Cc3ccccc32)[C@H](C)C1 ZINC000366694970 394951965 /nfs/dbraw/zinc/95/19/65/394951965.db2.gz LMEJHWFGUFMIKF-JLSDUUJJSA-N 2 1 287.451 2.493 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@H]2C[NH+](C)Cc3ccccc32)[C@H](C)C1 ZINC000366694970 394951968 /nfs/dbraw/zinc/95/19/68/394951968.db2.gz LMEJHWFGUFMIKF-JLSDUUJJSA-N 2 1 287.451 2.493 20 0 CEADMP CC[NH+]1CC[C@H](N[C@H]2C[N@H+](C)Cc3ccccc32)[C@H](C)C1 ZINC000366694970 394951970 /nfs/dbraw/zinc/95/19/70/394951970.db2.gz LMEJHWFGUFMIKF-JLSDUUJJSA-N 2 1 287.451 2.493 20 0 CEADMP CC[NH+]1CC[C@H](N[C@H]2C[N@@H+](C)Cc3ccccc32)[C@H](C)C1 ZINC000366694970 394951974 /nfs/dbraw/zinc/95/19/74/394951974.db2.gz LMEJHWFGUFMIKF-JLSDUUJJSA-N 2 1 287.451 2.493 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC12CCOCC2 ZINC000367066450 394957227 /nfs/dbraw/zinc/95/72/27/394957227.db2.gz MQKKGJXDRPXBNO-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC12CCOCC2 ZINC000367066450 394957229 /nfs/dbraw/zinc/95/72/29/394957229.db2.gz MQKKGJXDRPXBNO-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP Cn1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340190826 394980700 /nfs/dbraw/zinc/98/07/00/394980700.db2.gz MCKKVPXQULBYNE-ZWKOTPCHSA-N 2 1 298.434 2.388 20 0 CEADMP Cn1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340190826 394980705 /nfs/dbraw/zinc/98/07/05/394980705.db2.gz MCKKVPXQULBYNE-ZWKOTPCHSA-N 2 1 298.434 2.388 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@H]([NH+](C)C)C1 ZINC000340284423 394982908 /nfs/dbraw/zinc/98/29/08/394982908.db2.gz UVUMVTYLPLSKEU-JKSUJKDBSA-N 2 1 267.461 2.275 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000415941099 394985150 /nfs/dbraw/zinc/98/51/50/394985150.db2.gz GILCQGOZMYMGMI-DOMZBBRYSA-N 2 1 290.411 2.010 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000415941100 394985173 /nfs/dbraw/zinc/98/51/73/394985173.db2.gz GILCQGOZMYMGMI-IUODEOHRSA-N 2 1 290.411 2.010 20 0 CEADMP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000415980721 394990088 /nfs/dbraw/zinc/99/00/88/394990088.db2.gz HGRDNDMELUHDKY-CYBMUJFWSA-N 2 1 292.427 2.256 20 0 CEADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000415980723 394990293 /nfs/dbraw/zinc/99/02/93/394990293.db2.gz HGRDNDMELUHDKY-ZDUSSCGKSA-N 2 1 292.427 2.256 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cn2c(n1)CCCC2 ZINC000152772341 394998318 /nfs/dbraw/zinc/99/83/18/394998318.db2.gz YSNGMEPISQQVDD-FMKPAKJESA-N 2 1 290.455 2.080 20 0 CEADMP Cc1noc(C)c1C(C)(C)[NH2+]CCn1cc[nH+]c1C ZINC000285802148 394966050 /nfs/dbraw/zinc/96/60/50/394966050.db2.gz VHCQAZKXSROZHH-UHFFFAOYSA-N 2 1 262.357 2.321 20 0 CEADMP C[NH2+]Cc1ccc(NC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC000423692489 394967847 /nfs/dbraw/zinc/96/78/47/394967847.db2.gz DCLZJGJWSLNUJJ-UHFFFAOYSA-N 2 1 284.363 2.119 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H](C)CCn1cccn1)[NH+]1CCCC1 ZINC000158623925 395049953 /nfs/dbraw/zinc/04/99/53/395049953.db2.gz NHDMBOAYHYRPJN-HZPDHXFCSA-N 2 1 278.444 2.372 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](O)c1ccccc1 ZINC000290378048 395100709 /nfs/dbraw/zinc/10/07/09/395100709.db2.gz ROFVWAQDYOFIHO-WMHQRMGPSA-N 2 1 262.397 2.181 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](O)c1ccccc1 ZINC000290378048 395100714 /nfs/dbraw/zinc/10/07/14/395100714.db2.gz ROFVWAQDYOFIHO-WMHQRMGPSA-N 2 1 262.397 2.181 20 0 CEADMP O=c1[nH]c2ccccc2cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427133827 395092985 /nfs/dbraw/zinc/09/29/85/395092985.db2.gz SDXAHDGIPUOGKI-HIFRSBDPSA-N 2 1 283.375 2.124 20 0 CEADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427133827 395092989 /nfs/dbraw/zinc/09/29/89/395092989.db2.gz SDXAHDGIPUOGKI-HIFRSBDPSA-N 2 1 283.375 2.124 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@@H]2CCCO2)C1 ZINC000346413723 395098664 /nfs/dbraw/zinc/09/86/64/395098664.db2.gz NWQFWGPOKRLZGJ-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000346413723 395098668 /nfs/dbraw/zinc/09/86/68/395098668.db2.gz NWQFWGPOKRLZGJ-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000346413723 395098671 /nfs/dbraw/zinc/09/86/71/395098671.db2.gz NWQFWGPOKRLZGJ-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1ccc2c(C)cc(N3CC[N@@H+]4CCOC[C@@H]4C3)nc2c1 ZINC000372052840 395034106 /nfs/dbraw/zinc/03/41/06/395034106.db2.gz ICYDJLHCXYNNQR-HNNXBMFYSA-N 2 1 297.402 2.372 20 0 CEADMP CCC1(CC)CN(C[NH+]2CCC(C[NH+](C)C)CC2)C(=O)O1 ZINC000494450417 395114063 /nfs/dbraw/zinc/11/40/63/395114063.db2.gz DJNCHQDDVGIQFP-UHFFFAOYSA-N 2 1 297.443 2.229 20 0 CEADMP CC(C)[C@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000376939506 395132252 /nfs/dbraw/zinc/13/22/52/395132252.db2.gz NKUMYSNTSOUSNK-GOEBONIOSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000347338834 395122195 /nfs/dbraw/zinc/12/21/95/395122195.db2.gz BVLDSRFKLDHCSW-PMPSAXMXSA-N 2 1 265.445 2.029 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000347511846 395125561 /nfs/dbraw/zinc/12/55/61/395125561.db2.gz CKDIHCWCWCKCDH-MGPQQGTHSA-N 2 1 283.460 2.094 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(O)c2)C1 ZINC000290490906 395105898 /nfs/dbraw/zinc/10/58/98/395105898.db2.gz OPKGUUPTSZVPMN-ZBFHGGJFSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(O)c2)C1 ZINC000290490906 395105901 /nfs/dbraw/zinc/10/59/01/395105901.db2.gz OPKGUUPTSZVPMN-ZBFHGGJFSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(O)c2)C1 ZINC000290490906 395105907 /nfs/dbraw/zinc/10/59/07/395105907.db2.gz OPKGUUPTSZVPMN-ZBFHGGJFSA-N 2 1 260.381 2.308 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494678504 395135139 /nfs/dbraw/zinc/13/51/39/395135139.db2.gz BQSQWUWODJWVKM-HZPDHXFCSA-N 2 1 295.471 2.289 20 0 CEADMP CCn1nncc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000417871841 395154139 /nfs/dbraw/zinc/15/41/39/395154139.db2.gz MQABTZULBPNOQY-CQSZACIVSA-N 2 1 279.432 2.042 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)C(C)C ZINC000432810450 395181018 /nfs/dbraw/zinc/18/10/18/395181018.db2.gz XDKNQGJLAIKCES-AWEZNQCLSA-N 2 1 267.417 2.174 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)C(C)C ZINC000432810450 395181022 /nfs/dbraw/zinc/18/10/22/395181022.db2.gz XDKNQGJLAIKCES-AWEZNQCLSA-N 2 1 267.417 2.174 20 0 CEADMP C[NH+](C)C1(C[NH2+]CCC2CCOCC2)CCCC1 ZINC000381165601 395172342 /nfs/dbraw/zinc/17/23/42/395172342.db2.gz AMEOZPAADTVYDF-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178962313 395176964 /nfs/dbraw/zinc/17/69/64/395176964.db2.gz ZMZYBRZTMOQZDA-ZBFHGGJFSA-N 2 1 295.471 2.003 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000439007106 395243268 /nfs/dbraw/zinc/24/32/68/395243268.db2.gz YDZGOXKGDFULDN-QLFBSQMISA-N 2 1 270.461 2.494 20 0 CEADMP OCC[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCSC1 ZINC000438993712 395243834 /nfs/dbraw/zinc/24/38/34/395243834.db2.gz CIPFJJIRSRRDKO-OAHLLOKOSA-N 2 1 286.485 2.052 20 0 CEADMP Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)nc(C)[nH+]1 ZINC000292837965 395206788 /nfs/dbraw/zinc/20/67/88/395206788.db2.gz QGFMRHPORYJNAV-HNNXBMFYSA-N 2 1 260.385 2.016 20 0 CEADMP Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)nc(C)[nH+]1 ZINC000292837965 395206789 /nfs/dbraw/zinc/20/67/89/395206789.db2.gz QGFMRHPORYJNAV-HNNXBMFYSA-N 2 1 260.385 2.016 20 0 CEADMP CC(C)(N)C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397581352 395222590 /nfs/dbraw/zinc/22/25/90/395222590.db2.gz FEXPRPGOOPSYPH-UHFFFAOYSA-N 2 1 275.440 2.226 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000181692945 395222944 /nfs/dbraw/zinc/22/29/44/395222944.db2.gz KFUBVWQCGHWZGM-HNKHHVNMSA-N 2 1 289.423 2.375 20 0 CEADMP CCc1nc(N2CCC[C@H](C)[C@@H]2CC[NH3+])cc(C)[nH+]1 ZINC000404391864 395282947 /nfs/dbraw/zinc/28/29/47/395282947.db2.gz YJWIYFNXLVVGSA-AAEUAGOBSA-N 2 1 262.401 2.301 20 0 CEADMP CCC[C@@H](C)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420323408 395325101 /nfs/dbraw/zinc/32/51/01/395325101.db2.gz UDSVNLVZEQYMIJ-KBMXLJTQSA-N 2 1 264.413 2.038 20 0 CEADMP CCC(C)(C)C1CCC([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000353174482 395289017 /nfs/dbraw/zinc/28/90/17/395289017.db2.gz OAGSWXWCPNNNJS-NRXISQOPSA-N 2 1 270.461 2.494 20 0 CEADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353389843 395296096 /nfs/dbraw/zinc/29/60/96/395296096.db2.gz XRNOKHANSALNCD-RBSFLKMASA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C2CCCCC2)C1 ZINC000420287671 395296185 /nfs/dbraw/zinc/29/61/85/395296185.db2.gz IITQFTLUFQPHHP-KKUMJFAQSA-N 2 1 295.471 2.225 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C2CCCCC2)C1 ZINC000420287671 395296188 /nfs/dbraw/zinc/29/61/88/395296188.db2.gz IITQFTLUFQPHHP-KKUMJFAQSA-N 2 1 295.471 2.225 20 0 CEADMP C[N@@H+](CCCOCCc1ccccc1)C1CC([NH3+])C1 ZINC000420323809 395326144 /nfs/dbraw/zinc/32/61/44/395326144.db2.gz BMGSBCZMCHOKOE-UHFFFAOYSA-N 2 1 262.397 2.057 20 0 CEADMP C[C@@H]([NH3+])CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000420323728 395326150 /nfs/dbraw/zinc/32/61/50/395326150.db2.gz UQSFRWWYVJIDTL-OLZOCXBDSA-N 2 1 281.831 2.366 20 0 CEADMP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000353452080 395298562 /nfs/dbraw/zinc/29/85/62/395298562.db2.gz QLQOVORIAOCDCP-HZPDHXFCSA-N 2 1 295.471 2.001 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)C[C@H]2CCCCO2)cc1 ZINC000420323948 395326241 /nfs/dbraw/zinc/32/62/41/395326241.db2.gz USJBECPOZWVDGV-DOTOQJQBSA-N 2 1 292.423 2.238 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2nccs2)[C@@H]2CCC[C@@H]21 ZINC000353491100 395300548 /nfs/dbraw/zinc/30/05/48/395300548.db2.gz IUYQKITTWGJOEB-AVGNSLFASA-N 2 1 265.426 2.148 20 0 CEADMP COC(=O)c1ccccc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420295332 395300797 /nfs/dbraw/zinc/30/07/97/395300797.db2.gz VGVOGYLRWNHBDF-OLZOCXBDSA-N 2 1 276.380 2.032 20 0 CEADMP COC(=O)c1ccccc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420295332 395300801 /nfs/dbraw/zinc/30/08/01/395300801.db2.gz VGVOGYLRWNHBDF-OLZOCXBDSA-N 2 1 276.380 2.032 20 0 CEADMP C[C@H](C1CC1)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000420295486 395301749 /nfs/dbraw/zinc/30/17/49/395301749.db2.gz AQXLXKVHDHEMKB-BVGQSLNGSA-N 2 1 288.435 2.180 20 0 CEADMP C[C@H](C1CC1)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000420295486 395301754 /nfs/dbraw/zinc/30/17/54/395301754.db2.gz AQXLXKVHDHEMKB-BVGQSLNGSA-N 2 1 288.435 2.180 20 0 CEADMP CSC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC[NH+](C)CC1 ZINC000353612174 395303180 /nfs/dbraw/zinc/30/31/80/395303180.db2.gz QYWPVQPLNGHQJT-QLFBSQMISA-N 3 1 299.528 2.132 20 0 CEADMP CSC1(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)CC[NH+](C)CC1 ZINC000353612174 395303183 /nfs/dbraw/zinc/30/31/83/395303183.db2.gz QYWPVQPLNGHQJT-QLFBSQMISA-N 2 1 299.528 2.132 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000420301054 395306174 /nfs/dbraw/zinc/30/61/74/395306174.db2.gz KYLDFOCJZSLZKF-GOEBONIOSA-N 2 1 292.423 2.096 20 0 CEADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000420302466 395308107 /nfs/dbraw/zinc/30/81/07/395308107.db2.gz MIFQUGKHMUZDTJ-BZSNNMDCSA-N 2 1 288.435 2.182 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cs1 ZINC000420306774 395311243 /nfs/dbraw/zinc/31/12/43/395311243.db2.gz BISYTHIEPANLIU-KBPBESRZSA-N 2 1 250.411 2.365 20 0 CEADMP Clc1ccc([C@H]2CC[N@@H+](CCN3CC[NH2+]CC3)C2)cc1 ZINC000420308012 395312761 /nfs/dbraw/zinc/31/27/61/395312761.db2.gz RUXQNWYKAMVFFP-HNNXBMFYSA-N 2 1 293.842 2.035 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCOC1 ZINC000354330471 395327046 /nfs/dbraw/zinc/32/70/46/395327046.db2.gz OPOZQKWCIUMCME-MJBXVCDLSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCOC1 ZINC000354330471 395327052 /nfs/dbraw/zinc/32/70/52/395327052.db2.gz OPOZQKWCIUMCME-MJBXVCDLSA-N 2 1 252.402 2.018 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)s1 ZINC000420309870 395315248 /nfs/dbraw/zinc/31/52/48/395315248.db2.gz OZUNXSLIPJQVSZ-MWLCHTKSSA-N 2 1 282.409 2.012 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)s1 ZINC000420309870 395315251 /nfs/dbraw/zinc/31/52/51/395315251.db2.gz OZUNXSLIPJQVSZ-MWLCHTKSSA-N 2 1 282.409 2.012 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(C)s1 ZINC000420309868 395315341 /nfs/dbraw/zinc/31/53/41/395315341.db2.gz OZUNXSLIPJQVSZ-KOLCDFICSA-N 2 1 282.409 2.012 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(C)s1 ZINC000420309868 395315344 /nfs/dbraw/zinc/31/53/44/395315344.db2.gz OZUNXSLIPJQVSZ-KOLCDFICSA-N 2 1 282.409 2.012 20 0 CEADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCCCO1 ZINC000420314091 395318468 /nfs/dbraw/zinc/31/84/68/395318468.db2.gz YSJGIIQIRUJZKX-LSDHHAIUSA-N 2 1 254.418 2.267 20 0 CEADMP COC(=O)c1ccccc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420316983 395319429 /nfs/dbraw/zinc/31/94/29/395319429.db2.gz TYFDCCSHYHSDTB-AWEZNQCLSA-N 2 1 276.380 2.047 20 0 CEADMP COC(=O)c1ccccc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420316983 395319436 /nfs/dbraw/zinc/31/94/36/395319436.db2.gz TYFDCCSHYHSDTB-AWEZNQCLSA-N 2 1 276.380 2.047 20 0 CEADMP [NH3+]CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC1CCCC1 ZINC000420316768 395320493 /nfs/dbraw/zinc/32/04/93/395320493.db2.gz NQKRASVMQPZFQB-OAHLLOKOSA-N 3 1 267.461 2.217 20 0 CEADMP CCc1cnc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)s1 ZINC000420319776 395321333 /nfs/dbraw/zinc/32/13/33/395321333.db2.gz PKULDECORHNKDC-NSHDSACASA-N 2 1 253.415 2.137 20 0 CEADMP Cc1[nH+]ccn1CC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000439290308 395258123 /nfs/dbraw/zinc/25/81/23/395258123.db2.gz WAKSDAJRAXRSAZ-OAHLLOKOSA-N 2 1 263.385 2.083 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC[C@H]1CCCC[NH+]1C ZINC000420321647 395323850 /nfs/dbraw/zinc/32/38/50/395323850.db2.gz RIWPEZLSZGGYRC-HZPDHXFCSA-N 3 1 267.461 2.182 20 0 CEADMP C[NH+](CC[C@H]1CCC[NH2+]C1)CC[C@H]1CCCC[N@@H+]1C ZINC000420321647 395323852 /nfs/dbraw/zinc/32/38/52/395323852.db2.gz RIWPEZLSZGGYRC-HZPDHXFCSA-N 3 1 267.461 2.182 20 0 CEADMP C[NH+](CC[C@H]1CCC[NH2+]C1)CC[C@H]1CCCC[N@H+]1C ZINC000420321647 395323854 /nfs/dbraw/zinc/32/38/54/395323854.db2.gz RIWPEZLSZGGYRC-HZPDHXFCSA-N 3 1 267.461 2.182 20 0 CEADMP CN1CCCC[C@@H]1CC[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420321647 395323858 /nfs/dbraw/zinc/32/38/58/395323858.db2.gz RIWPEZLSZGGYRC-HZPDHXFCSA-N 2 1 267.461 2.182 20 0 CEADMP CN1CCCC[C@@H]1CC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420321647 395323862 /nfs/dbraw/zinc/32/38/62/395323862.db2.gz RIWPEZLSZGGYRC-HZPDHXFCSA-N 2 1 267.461 2.182 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420324537 395327661 /nfs/dbraw/zinc/32/76/61/395327661.db2.gz ZUNBASOSRHCIIB-JKSUJKDBSA-N 2 1 274.408 2.312 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189113862 395324117 /nfs/dbraw/zinc/32/41/17/395324117.db2.gz OATKPPCFEQEDOS-MRXNPFEDSA-N 2 1 279.472 2.326 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320649 395324343 /nfs/dbraw/zinc/32/43/43/395324343.db2.gz BNZQXKVMOZWQFJ-KGLIPLIRSA-N 2 1 277.412 2.367 20 0 CEADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)[nH]n1 ZINC000440798482 395358634 /nfs/dbraw/zinc/35/86/34/395358634.db2.gz HNJOEXVJQKTDRX-VIFPVBQESA-N 2 1 288.317 2.002 20 0 CEADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[nH]n1 ZINC000440798482 395358642 /nfs/dbraw/zinc/35/86/42/395358642.db2.gz HNJOEXVJQKTDRX-VIFPVBQESA-N 2 1 288.317 2.002 20 0 CEADMP CCc1nc(C2([NH2+]CCC3CC[NH2+]CC3)CCCC2)no1 ZINC000420375446 395360864 /nfs/dbraw/zinc/36/08/64/395360864.db2.gz PJCZDONSBFGRFO-UHFFFAOYSA-N 2 1 292.427 2.381 20 0 CEADMP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H]([NH3+])C2)cc1F ZINC000435370983 395367012 /nfs/dbraw/zinc/36/70/12/395367012.db2.gz KSPOLFKZHKKTDM-AAEUAGOBSA-N 2 1 266.360 2.046 20 0 CEADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H]([NH3+])C2)cc1F ZINC000435370983 395367019 /nfs/dbraw/zinc/36/70/19/395367019.db2.gz KSPOLFKZHKKTDM-AAEUAGOBSA-N 2 1 266.360 2.046 20 0 CEADMP C[NH2+]CCC[N@H+](C)CCOc1ccc(SC)cc1 ZINC000420383174 395367609 /nfs/dbraw/zinc/36/76/09/395367609.db2.gz BRQXBGFITJUDAP-UHFFFAOYSA-N 2 1 268.426 2.329 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCOc1ccc(SC)cc1 ZINC000420383174 395367613 /nfs/dbraw/zinc/36/76/13/395367613.db2.gz BRQXBGFITJUDAP-UHFFFAOYSA-N 2 1 268.426 2.329 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000435373564 395367790 /nfs/dbraw/zinc/36/77/90/395367790.db2.gz FCXBVXZWDVXYNY-NEPJUHHUSA-N 2 1 274.368 2.147 20 0 CEADMP Cc1ncsc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000355218612 395371130 /nfs/dbraw/zinc/37/11/30/395371130.db2.gz XUVSCPLRONWEIZ-MELADBBJSA-N 2 1 295.452 2.135 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000355218612 395371131 /nfs/dbraw/zinc/37/11/31/395371131.db2.gz XUVSCPLRONWEIZ-MELADBBJSA-N 2 1 295.452 2.135 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCOCCc1ccccc1 ZINC000442779162 395395030 /nfs/dbraw/zinc/39/50/30/395395030.db2.gz IGDOAUZKMAOYFS-DOTOQJQBSA-N 2 1 276.424 2.305 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336116 395335048 /nfs/dbraw/zinc/33/50/48/395335048.db2.gz IMJHHDSNDSUQNA-CAOSSQGBSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccccn2)CC[N@H+]1C ZINC000297390174 395340206 /nfs/dbraw/zinc/34/02/06/395340206.db2.gz RSONKZAUITZWRM-KGLIPLIRSA-N 2 1 261.413 2.432 20 0 CEADMP c1ccc(CC[C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420353050 395340769 /nfs/dbraw/zinc/34/07/69/395340769.db2.gz BFZKKRBKVJBBBE-MSOLQXFVSA-N 2 1 288.435 2.320 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)Nc1ccccc1F ZINC000420362285 395348088 /nfs/dbraw/zinc/34/80/88/395348088.db2.gz MVYAUKZAHUEPFR-ZDUSSCGKSA-N 2 1 281.375 2.117 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000420362978 395350445 /nfs/dbraw/zinc/35/04/45/395350445.db2.gz NNVYXWJNIWGDSO-CYBMUJFWSA-N 2 1 281.375 2.117 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000420363980 395350717 /nfs/dbraw/zinc/35/07/17/395350717.db2.gz ONBQBISJBWEWTK-HNNXBMFYSA-N 2 1 275.396 2.123 20 0 CEADMP CC(C)[N@H+](CCc1nccs1)CC[C@H]1CC[NH2+]C1 ZINC000420366862 395353067 /nfs/dbraw/zinc/35/30/67/395353067.db2.gz UTQBRAKTNPAKKL-CYBMUJFWSA-N 2 1 267.442 2.396 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNc1ccnc2ccncc21 ZINC000444083069 395413073 /nfs/dbraw/zinc/41/30/73/395413073.db2.gz IOHXIZBVNAOTCR-CYBMUJFWSA-N 2 1 270.380 2.338 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)CCO1 ZINC000355364953 395423605 /nfs/dbraw/zinc/42/36/05/395423605.db2.gz FFEWDWGRQCWJIP-OWCLPIDISA-N 2 1 291.439 2.490 20 0 CEADMP CC(C)[N@H+]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000444596789 395438044 /nfs/dbraw/zinc/43/80/44/395438044.db2.gz XZBCMHULGPBWAA-UHFFFAOYSA-N 2 1 267.461 2.279 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CCO[C@H]2CCCCO2)C1 ZINC000444643001 395442626 /nfs/dbraw/zinc/44/26/26/395442626.db2.gz BRMKFFBGENONOD-IRXDYDNUSA-N 2 1 296.455 2.193 20 0 CEADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000444643001 395442628 /nfs/dbraw/zinc/44/26/28/395442628.db2.gz BRMKFFBGENONOD-IRXDYDNUSA-N 2 1 296.455 2.193 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000444643001 395442629 /nfs/dbraw/zinc/44/26/29/395442629.db2.gz BRMKFFBGENONOD-IRXDYDNUSA-N 2 1 296.455 2.193 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000444643001 395442631 /nfs/dbraw/zinc/44/26/31/395442631.db2.gz BRMKFFBGENONOD-IRXDYDNUSA-N 2 1 296.455 2.193 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000444643001 395442632 /nfs/dbraw/zinc/44/26/32/395442632.db2.gz BRMKFFBGENONOD-IRXDYDNUSA-N 2 1 296.455 2.193 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000566219503 395506568 /nfs/dbraw/zinc/50/65/68/395506568.db2.gz DJNQCEWGZOXEPX-RDBSUJKOSA-N 2 1 292.448 2.470 20 0 CEADMP Cn1cncc1CCC[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000566426116 395522107 /nfs/dbraw/zinc/52/21/07/395522107.db2.gz NPNOBUCHJZGYHN-HNNXBMFYSA-N 2 1 270.380 2.237 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000566426116 395522108 /nfs/dbraw/zinc/52/21/08/395522108.db2.gz NPNOBUCHJZGYHN-HNNXBMFYSA-N 2 1 270.380 2.237 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000566426116 395522111 /nfs/dbraw/zinc/52/21/11/395522111.db2.gz NPNOBUCHJZGYHN-HNNXBMFYSA-N 2 1 270.380 2.237 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000566500475 395531980 /nfs/dbraw/zinc/53/19/80/395531980.db2.gz IXNRECUVKWXHDU-ZOBUZTSGSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000566500475 395531984 /nfs/dbraw/zinc/53/19/84/395531984.db2.gz IXNRECUVKWXHDU-ZOBUZTSGSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@H]1[NH3+] ZINC000567864706 395537258 /nfs/dbraw/zinc/53/72/58/395537258.db2.gz KIQPRDJGXQWIEQ-CZUORRHYSA-N 2 1 282.391 2.313 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@H]1[NH3+] ZINC000567864706 395537259 /nfs/dbraw/zinc/53/72/59/395537259.db2.gz KIQPRDJGXQWIEQ-CZUORRHYSA-N 2 1 282.391 2.313 20 0 CEADMP c1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCC[NH2+]C3)OCCO2 ZINC000567871067 395537963 /nfs/dbraw/zinc/53/79/63/395537963.db2.gz MZAIMMXKOBVROL-QGZVFWFLSA-N 2 1 288.391 2.033 20 0 CEADMP c1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCC[NH2+]C3)OCCO2 ZINC000567871067 395537966 /nfs/dbraw/zinc/53/79/66/395537966.db2.gz MZAIMMXKOBVROL-QGZVFWFLSA-N 2 1 288.391 2.033 20 0 CEADMP C[C@@H]1[N@H+](CCCc2c[nH+]cn2C)CCC12CCOCC2 ZINC000567911618 395541932 /nfs/dbraw/zinc/54/19/32/395541932.db2.gz VTXQYRGQDYIKJC-AWEZNQCLSA-N 2 1 277.412 2.244 20 0 CEADMP C[C@@H]1[N@@H+](CCCc2c[nH+]cn2C)CCC12CCOCC2 ZINC000567911618 395541936 /nfs/dbraw/zinc/54/19/36/395541936.db2.gz VTXQYRGQDYIKJC-AWEZNQCLSA-N 2 1 277.412 2.244 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000565541905 395475212 /nfs/dbraw/zinc/47/52/12/395475212.db2.gz BGSLIDOVKNYWKH-LSDHHAIUSA-N 2 1 287.451 2.247 20 0 CEADMP CCN1C[C@@H](C)[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000565541905 395475213 /nfs/dbraw/zinc/47/52/13/395475213.db2.gz BGSLIDOVKNYWKH-LSDHHAIUSA-N 2 1 287.451 2.247 20 0 CEADMP CCN1C[C@@H](C)[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000565541905 395475214 /nfs/dbraw/zinc/47/52/14/395475214.db2.gz BGSLIDOVKNYWKH-LSDHHAIUSA-N 2 1 287.451 2.247 20 0 CEADMP [NH3+]CCC1CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000565953928 395492659 /nfs/dbraw/zinc/49/26/59/395492659.db2.gz JFOALUZOBIRUKA-UHFFFAOYSA-N 2 1 284.407 2.433 20 0 CEADMP C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)[N@H+]1CCCC[C@H]1C ZINC000566020223 395496491 /nfs/dbraw/zinc/49/64/91/395496491.db2.gz IVZUFJHQGDDWEI-TUVASFSCSA-N 3 1 253.434 2.109 20 0 CEADMP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CCCC1 ZINC000446838872 395500177 /nfs/dbraw/zinc/50/01/77/395500177.db2.gz MYHOQCWFSFWJGP-SNPRPXQTSA-N 2 1 254.418 2.264 20 0 CEADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCC1 ZINC000446838872 395500179 /nfs/dbraw/zinc/50/01/79/395500179.db2.gz MYHOQCWFSFWJGP-SNPRPXQTSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000566158627 395503091 /nfs/dbraw/zinc/50/30/91/395503091.db2.gz OMRXNZBGQYGFBB-ZNMIVQPWSA-N 2 1 283.460 2.131 20 0 CEADMP Cc1ccc2c(c1)[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)CCC2 ZINC000573598654 395611045 /nfs/dbraw/zinc/61/10/45/395611045.db2.gz DGQZOZBDVZPLPA-WMZOPIPTSA-N 2 1 288.435 2.417 20 0 CEADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)CCC2 ZINC000573598654 395611048 /nfs/dbraw/zinc/61/10/48/395611048.db2.gz DGQZOZBDVZPLPA-WMZOPIPTSA-N 2 1 288.435 2.417 20 0 CEADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)CCC2 ZINC000573598654 395611049 /nfs/dbraw/zinc/61/10/49/395611049.db2.gz DGQZOZBDVZPLPA-WMZOPIPTSA-N 2 1 288.435 2.417 20 0 CEADMP Cn1ncc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc21 ZINC000568363864 395555885 /nfs/dbraw/zinc/55/58/85/395555885.db2.gz VEJSECDUSGDFTH-UHFFFAOYSA-N 2 1 284.407 2.290 20 0 CEADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H]1CCCC[NH+]1CC ZINC000568430596 395560090 /nfs/dbraw/zinc/56/00/90/395560090.db2.gz SSGBHQGRLQFWAF-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000450651855 395573381 /nfs/dbraw/zinc/57/33/81/395573381.db2.gz MCQIVBZMXARTJA-PMPSAXMXSA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000450651855 395573383 /nfs/dbraw/zinc/57/33/83/395573383.db2.gz MCQIVBZMXARTJA-PMPSAXMXSA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000450651855 395573385 /nfs/dbraw/zinc/57/33/85/395573385.db2.gz MCQIVBZMXARTJA-PMPSAXMXSA-N 2 1 267.461 2.274 20 0 CEADMP C[N@H+]1CCC[C@H](CCNc2ncnc3[nH]ccc32)C1 ZINC000574020107 395624270 /nfs/dbraw/zinc/62/42/70/395624270.db2.gz HNHAOFDHHTVHJW-LLVKDONJSA-N 2 1 259.357 2.053 20 0 CEADMP C[N@@H+]1CCC[C@H](CCNc2[nH+]cnc3[nH]ccc32)C1 ZINC000574020107 395624271 /nfs/dbraw/zinc/62/42/71/395624271.db2.gz HNHAOFDHHTVHJW-LLVKDONJSA-N 2 1 259.357 2.053 20 0 CEADMP C[N@H+]1CCC[C@H](CCNc2[nH+]cnc3[nH]ccc32)C1 ZINC000574020107 395624272 /nfs/dbraw/zinc/62/42/72/395624272.db2.gz HNHAOFDHHTVHJW-LLVKDONJSA-N 2 1 259.357 2.053 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000574116450 395626802 /nfs/dbraw/zinc/62/68/02/395626802.db2.gz WVAUDJNYSGAHSM-GDBMZVCRSA-N 2 1 278.440 2.255 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@H](c1ncc[nH]1)c1cccnc1 ZINC000575325254 395659325 /nfs/dbraw/zinc/65/93/25/395659325.db2.gz FWPXBIOZTYVHAQ-HNNXBMFYSA-N 2 1 299.422 2.358 20 0 CEADMP CC[C@H](C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000647507106 395723729 /nfs/dbraw/zinc/72/37/29/395723729.db2.gz JCWXTHQBLJRRBI-IIAWOOMASA-N 2 1 262.397 2.228 20 0 CEADMP CC[C@H](C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000647507106 395723730 /nfs/dbraw/zinc/72/37/30/395723730.db2.gz JCWXTHQBLJRRBI-IIAWOOMASA-N 2 1 262.397 2.228 20 0 CEADMP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000647336109 395704810 /nfs/dbraw/zinc/70/48/10/395704810.db2.gz MGWYTYOIKGDLGW-YJNKXOJESA-N 2 1 256.434 2.103 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cnn(C)c1 ZINC000647344401 395707217 /nfs/dbraw/zinc/70/72/17/395707217.db2.gz PVKBGOUXDYGDHC-QGTPRVQTSA-N 2 1 298.434 2.416 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cnn(C)c1 ZINC000647344401 395707219 /nfs/dbraw/zinc/70/72/19/395707219.db2.gz PVKBGOUXDYGDHC-QGTPRVQTSA-N 2 1 298.434 2.416 20 0 CEADMP FC(F)(F)CO[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000647514058 395724634 /nfs/dbraw/zinc/72/46/34/395724634.db2.gz FBVMWJAUYUAKOL-VXGBXAGGSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)CO[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000647514058 395724635 /nfs/dbraw/zinc/72/46/35/395724635.db2.gz FBVMWJAUYUAKOL-VXGBXAGGSA-N 2 1 280.334 2.029 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2c(C)nc3ccccn32)CC[C@@H]1[NH3+] ZINC000647498833 395722094 /nfs/dbraw/zinc/72/20/94/395722094.db2.gz RUHSTPQEIJKRGK-KGLIPLIRSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2c(C)nc3ccccn32)CC[C@@H]1[NH3+] ZINC000647498833 395722095 /nfs/dbraw/zinc/72/20/95/395722095.db2.gz RUHSTPQEIJKRGK-KGLIPLIRSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)CC[C@@H]1[NH3+] ZINC000647498801 395722506 /nfs/dbraw/zinc/72/25/06/395722506.db2.gz RDOSHEBKZUSPEN-KGLIPLIRSA-N 2 1 264.417 2.197 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)CC[C@@H]1[NH3+] ZINC000647498801 395722507 /nfs/dbraw/zinc/72/25/07/395722507.db2.gz RDOSHEBKZUSPEN-KGLIPLIRSA-N 2 1 264.417 2.197 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnc2ccccn12 ZINC000647506144 395723005 /nfs/dbraw/zinc/72/30/05/395723005.db2.gz KTZWTQBDOJXZAE-AWEZNQCLSA-N 2 1 260.385 2.140 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnc2ccccn12 ZINC000647506144 395723006 /nfs/dbraw/zinc/72/30/06/395723006.db2.gz KTZWTQBDOJXZAE-AWEZNQCLSA-N 2 1 260.385 2.140 20 0 CEADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCc2ccccc2Cl)C1 ZINC000647549138 395732845 /nfs/dbraw/zinc/73/28/45/395732845.db2.gz JSRFZORBHHUWBW-AAEUAGOBSA-N 2 1 252.789 2.470 20 0 CEADMP c1ccc2c(c1)ccnc2C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000647538896 395730051 /nfs/dbraw/zinc/73/00/51/395730051.db2.gz MTSDREZOXACDSQ-KRWDZBQOSA-N 2 1 267.376 2.420 20 0 CEADMP Cn1ncc(Cl)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544012 395731433 /nfs/dbraw/zinc/73/14/33/395731433.db2.gz VNLCPQZNVWPTIZ-STQMWFEESA-N 2 1 296.846 2.285 20 0 CEADMP c1ncc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647544142 395731660 /nfs/dbraw/zinc/73/16/60/395731660.db2.gz XILAFMJLGYZKKT-OLZOCXBDSA-N 2 1 265.426 2.355 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000647650954 395740128 /nfs/dbraw/zinc/74/01/28/395740128.db2.gz BKZKTOKZWYJSQC-RDBSUJKOSA-N 2 1 292.427 2.125 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2c1C ZINC000647705766 395746767 /nfs/dbraw/zinc/74/67/67/395746767.db2.gz MJNBJJBTIWHOPM-FUNVUKJBSA-N 2 1 285.395 2.294 20 0 CEADMP CN(C)CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000647795349 395756301 /nfs/dbraw/zinc/75/63/01/395756301.db2.gz NZXIKCLYGQIETM-BZUAXINKSA-N 2 1 279.472 2.086 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798161 395756853 /nfs/dbraw/zinc/75/68/53/395756853.db2.gz MTNRTAAGVGQQPP-CAOSSQGBSA-N 3 1 267.461 2.085 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798161 395756854 /nfs/dbraw/zinc/75/68/54/395756854.db2.gz MTNRTAAGVGQQPP-CAOSSQGBSA-N 3 1 267.461 2.085 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCCOc1ccccc1 ZINC000647956537 395784701 /nfs/dbraw/zinc/78/47/01/395784701.db2.gz YKJSYCLQDSXOIV-MRXNPFEDSA-N 2 1 294.439 2.088 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCCOc1ccccc1 ZINC000647956537 395784703 /nfs/dbraw/zinc/78/47/03/395784703.db2.gz YKJSYCLQDSXOIV-MRXNPFEDSA-N 2 1 294.439 2.088 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCCOc1ccccc1 ZINC000647956537 395784705 /nfs/dbraw/zinc/78/47/05/395784705.db2.gz YKJSYCLQDSXOIV-MRXNPFEDSA-N 2 1 294.439 2.088 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCCOc1ccccc1 ZINC000647956537 395784708 /nfs/dbraw/zinc/78/47/08/395784708.db2.gz YKJSYCLQDSXOIV-MRXNPFEDSA-N 2 1 294.439 2.088 20 0 CEADMP Fc1ccccc1OCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814698 395759395 /nfs/dbraw/zinc/75/93/95/395759395.db2.gz ZWEOPBSWRVMDGW-UHFFFAOYSA-N 2 1 278.371 2.421 20 0 CEADMP C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)[C@H]1CCCCO1 ZINC000647815457 395760018 /nfs/dbraw/zinc/76/00/18/395760018.db2.gz BLLNQFBNYCZGLN-OAHLLOKOSA-N 2 1 252.402 2.162 20 0 CEADMP c1ccc([C@H]2CSCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647874758 395766652 /nfs/dbraw/zinc/76/66/52/395766652.db2.gz VOCHSYCMKWLPIP-UKRRQHHQSA-N 2 1 262.422 2.386 20 0 CEADMP c1ccc([C@H]2CSCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647874758 395766654 /nfs/dbraw/zinc/76/66/54/395766654.db2.gz VOCHSYCMKWLPIP-UKRRQHHQSA-N 2 1 262.422 2.386 20 0 CEADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647882043 395767974 /nfs/dbraw/zinc/76/79/74/395767974.db2.gz FTGJIUYVTDXCEI-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@@H](C(F)(F)F)O1 ZINC000647889504 395769528 /nfs/dbraw/zinc/76/95/28/395769528.db2.gz ZCSQBNHAKNQGGN-AAEUAGOBSA-N 2 1 294.361 2.418 20 0 CEADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H](C(F)(F)F)O1 ZINC000647889504 395769530 /nfs/dbraw/zinc/76/95/30/395769530.db2.gz ZCSQBNHAKNQGGN-AAEUAGOBSA-N 2 1 294.361 2.418 20 0 CEADMP CCC[N@@H+](CCCC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000647895342 395770392 /nfs/dbraw/zinc/77/03/92/395770392.db2.gz LSJFLKBICYYCMC-UHFFFAOYSA-N 3 1 267.461 2.230 20 0 CEADMP CCC[N@H+](CCCC1CC[NH2+]CC1)C1CCNCC1 ZINC000647895342 395770393 /nfs/dbraw/zinc/77/03/93/395770393.db2.gz LSJFLKBICYYCMC-UHFFFAOYSA-N 2 1 267.461 2.230 20 0 CEADMP CCC[N@@H+](CCCC1CC[NH2+]CC1)C1CCNCC1 ZINC000647895342 395770394 /nfs/dbraw/zinc/77/03/94/395770394.db2.gz LSJFLKBICYYCMC-UHFFFAOYSA-N 2 1 267.461 2.230 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904111 395770643 /nfs/dbraw/zinc/77/06/43/395770643.db2.gz WYIBANSHLOEGOO-IRXDYDNUSA-N 3 1 279.472 2.230 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC000647978102 395794194 /nfs/dbraw/zinc/79/41/94/395794194.db2.gz MSGUMKXUZORKPE-YESZJQIVSA-N 3 1 279.472 2.088 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC000647978099 395794338 /nfs/dbraw/zinc/79/43/38/395794338.db2.gz MSGUMKXUZORKPE-BBWFWOEESA-N 3 1 279.472 2.088 20 0 CEADMP Cc1noc(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977834 395794455 /nfs/dbraw/zinc/79/44/55/395794455.db2.gz IMMXJJJAMYTPLL-HUUCEWRRSA-N 2 1 292.427 2.022 20 0 CEADMP C[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1cc(F)cc(F)c1 ZINC000648385167 395898886 /nfs/dbraw/zinc/89/88/86/395898886.db2.gz BSPAYKMYSXDUGI-RTXFEEFZSA-N 2 1 266.335 2.220 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1cc(F)cc(F)c1 ZINC000648385167 395898888 /nfs/dbraw/zinc/89/88/88/395898888.db2.gz BSPAYKMYSXDUGI-RTXFEEFZSA-N 2 1 266.335 2.220 20 0 CEADMP CC[C@H](C[NH2+][C@H]1CCO[C@H](CC)C1)[NH+]1CCCC1 ZINC000648417473 395905474 /nfs/dbraw/zinc/90/54/74/395905474.db2.gz ZOENNULPGIPHPS-RRFJBIMHSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CCO1 ZINC000648447805 395910563 /nfs/dbraw/zinc/91/05/63/395910563.db2.gz DKDNBBWKFFJOMR-HZPDHXFCSA-N 2 1 296.455 2.179 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649312697 396118913 /nfs/dbraw/zinc/11/89/13/396118913.db2.gz KWZLSVULNUQLAP-AWEZNQCLSA-N 2 1 297.830 2.188 20 0 CEADMP CN(Cc1ccccc1)[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000649413759 396147130 /nfs/dbraw/zinc/14/71/30/396147130.db2.gz BIZVVUYDZDFUSU-WMZOPIPTSA-N 2 1 287.451 2.192 20 0 CEADMP CC[C@@H]1C[N@@H+](CCc2nc3ccccc3n2C)CC[C@H]1[NH3+] ZINC000649416469 396149472 /nfs/dbraw/zinc/14/94/72/396149472.db2.gz BFHBOGRXEAQEMS-ZIAGYGMSSA-N 2 1 286.423 2.175 20 0 CEADMP C[C@@H](CO)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000649803758 396261889 /nfs/dbraw/zinc/26/18/89/396261889.db2.gz PJYADLFHBOKNQE-HOCLYGCPSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(F)c1)CCO2 ZINC000646102718 396294234 /nfs/dbraw/zinc/29/42/34/396294234.db2.gz ORSXTGPHQNSNMS-UHFFFAOYSA-N 2 1 278.371 2.122 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(F)c1)CCO2 ZINC000646102718 396294236 /nfs/dbraw/zinc/29/42/36/396294236.db2.gz ORSXTGPHQNSNMS-UHFFFAOYSA-N 2 1 278.371 2.122 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CCc3ccccc31)CCO2 ZINC000646106156 396294808 /nfs/dbraw/zinc/29/48/08/396294808.db2.gz QEOXRUUWXXQYRG-QGZVFWFLSA-N 2 1 286.419 2.471 20 0 CEADMP CC[NH2+]CCCNC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000646624748 396364049 /nfs/dbraw/zinc/36/40/49/396364049.db2.gz LYOCXEKTLOOFTE-MRXNPFEDSA-N 2 1 291.439 2.013 20 0 CEADMP C[C@H](c1nc([C@@H]2CCC[NH2+]2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000647145849 396418630 /nfs/dbraw/zinc/41/86/30/396418630.db2.gz GLSCSGCDNJMIIO-KXNHARMFSA-N 2 1 264.373 2.428 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000154096484 289134299 /nfs/dbraw/zinc/13/42/99/289134299.db2.gz KIDFNOPLSIKMTC-HOTGVXAUSA-N 2 1 297.487 2.199 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c(C)noc2C)[C@H](C)C1 ZINC000155964394 289186909 /nfs/dbraw/zinc/18/69/09/289186909.db2.gz OBJGPGMOWQMQLH-ABAIWWIYSA-N 2 1 265.401 2.154 20 0 CEADMP FC1(F)CC[C@@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000386262249 400525836 /nfs/dbraw/zinc/52/58/36/400525836.db2.gz VGTGWVGXTNRLLV-UPJWGTAASA-N 2 1 258.356 2.353 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC2(C1)CCOCC2 ZINC000388360667 400533075 /nfs/dbraw/zinc/53/30/75/400533075.db2.gz HWKZHILTKOUJRN-UHFFFAOYSA-N 2 1 266.429 2.269 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCCC1(C)C ZINC000394124279 400546539 /nfs/dbraw/zinc/54/65/39/400546539.db2.gz ITANXLGRIGMBRX-UONOGXRCSA-N 2 1 256.434 2.246 20 0 CEADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000394542424 400550130 /nfs/dbraw/zinc/55/01/30/400550130.db2.gz UOTTZQHRXAPTQN-APIJFGDWSA-N 2 1 254.418 2.251 20 0 CEADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000394542424 400550133 /nfs/dbraw/zinc/55/01/33/400550133.db2.gz UOTTZQHRXAPTQN-APIJFGDWSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC2CCCCCC2)CCO1 ZINC000394546712 400550145 /nfs/dbraw/zinc/55/01/45/400550145.db2.gz XWGRGSKOTGXOJD-ZFWWWQNUSA-N 2 1 254.418 2.395 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC2CCCCCC2)CCO1 ZINC000394546712 400550148 /nfs/dbraw/zinc/55/01/48/400550148.db2.gz XWGRGSKOTGXOJD-ZFWWWQNUSA-N 2 1 254.418 2.395 20 0 CEADMP Cc1cccnc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707572 400997840 /nfs/dbraw/zinc/99/78/40/400997840.db2.gz IVWUFLZVFAQZPE-UXLLHSPISA-N 2 1 289.423 2.108 20 0 CEADMP CCn1nc(C)c(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1C ZINC000650718186 401008183 /nfs/dbraw/zinc/00/81/83/401008183.db2.gz BDGXPGPHSQFTIQ-UHFFFAOYSA-N 2 1 290.386 2.407 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000650720300 401009097 /nfs/dbraw/zinc/00/90/97/401009097.db2.gz KZTSBWMYLSQRRY-CZUORRHYSA-N 2 1 261.413 2.026 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccccc2C[NH2+]C)CC1 ZINC000650719344 401010252 /nfs/dbraw/zinc/01/02/52/401010252.db2.gz MVTWYLVHXGMHAM-UHFFFAOYSA-N 3 1 275.440 2.370 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000650740336 401016851 /nfs/dbraw/zinc/01/68/51/401016851.db2.gz KXOWAGLCQVPFQD-ZACQAIPSSA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000650740336 401016856 /nfs/dbraw/zinc/01/68/56/401016856.db2.gz KXOWAGLCQVPFQD-ZACQAIPSSA-N 3 1 281.488 2.475 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000650740336 401016864 /nfs/dbraw/zinc/01/68/64/401016864.db2.gz KXOWAGLCQVPFQD-ZACQAIPSSA-N 3 1 281.488 2.475 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CNc3ccccc3C2)[C@@H]2CCC[C@H]21 ZINC000650749633 401025770 /nfs/dbraw/zinc/02/57/70/401025770.db2.gz QXUBEYDTCVMBMP-UOVPBQLFSA-N 2 1 285.435 2.486 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cn1 ZINC000650752895 401029240 /nfs/dbraw/zinc/02/92/40/401029240.db2.gz CKVYMXOBCVSDDJ-LLVKDONJSA-N 2 1 276.359 2.352 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000650758332 401034445 /nfs/dbraw/zinc/03/44/45/401034445.db2.gz NIHHDBOXHRWQGB-CJNGLKHVSA-N 2 1 273.424 2.121 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000650758332 401034448 /nfs/dbraw/zinc/03/44/48/401034448.db2.gz NIHHDBOXHRWQGB-CJNGLKHVSA-N 2 1 273.424 2.121 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000359958960 155182381 /nfs/dbraw/zinc/18/23/81/155182381.db2.gz QGDCFKLUJVJBOL-CVEARBPZSA-N 2 1 288.439 2.254 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000359958960 155182385 /nfs/dbraw/zinc/18/23/85/155182385.db2.gz QGDCFKLUJVJBOL-CVEARBPZSA-N 2 1 288.439 2.254 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)CC(C)C ZINC000417355248 286013660 /nfs/dbraw/zinc/01/36/60/286013660.db2.gz FOJOOOSNGBFHOQ-ZQDZILKHSA-N 2 1 256.434 2.366 20 0 CEADMP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000651709305 401375556 /nfs/dbraw/zinc/37/55/56/401375556.db2.gz RNOKAXLSIVXRSC-KBPBESRZSA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000651866064 401406217 /nfs/dbraw/zinc/40/62/17/401406217.db2.gz SQPYESBIIDPFQU-GJZGRUSLSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000651866064 401406220 /nfs/dbraw/zinc/40/62/20/401406220.db2.gz SQPYESBIIDPFQU-GJZGRUSLSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000651866064 401406224 /nfs/dbraw/zinc/40/62/24/401406224.db2.gz SQPYESBIIDPFQU-GJZGRUSLSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@@H+](CCCNC(=O)N[C@@H](C)CC[NH3+])C1CCCCC1 ZINC000652211734 401465093 /nfs/dbraw/zinc/46/50/93/401465093.db2.gz JKEBGBYVFADWAA-AWEZNQCLSA-N 2 1 298.475 2.068 20 0 CEADMP CC[N@@H+](CCCNC(=O)NCC[C@H](C)[NH3+])C1CCCCC1 ZINC000652228053 401467924 /nfs/dbraw/zinc/46/79/24/401467924.db2.gz VCAVMASSPBVKAP-AWEZNQCLSA-N 2 1 298.475 2.068 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(CCCO)CC1 ZINC000360088204 155212629 /nfs/dbraw/zinc/21/26/29/155212629.db2.gz KHOUYGFZZOKDJE-INIZCTEOSA-N 2 1 268.445 2.345 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](CO)CCF ZINC000652306119 401483636 /nfs/dbraw/zinc/48/36/36/401483636.db2.gz OOZHZJVXAIKKMM-DJIMGWMZSA-N 2 1 294.414 2.207 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](CO)CCF ZINC000652306119 401483638 /nfs/dbraw/zinc/48/36/38/401483638.db2.gz OOZHZJVXAIKKMM-DJIMGWMZSA-N 2 1 294.414 2.207 20 0 CEADMP c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]3)C1)C[NH2+]CC2 ZINC000652339765 401489721 /nfs/dbraw/zinc/48/97/21/401489721.db2.gz LHWHAEBPZIQQJA-MJGOQNOKSA-N 3 1 299.462 2.296 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]3)C1)C[NH2+]CC2 ZINC000652339765 401489722 /nfs/dbraw/zinc/48/97/22/401489722.db2.gz LHWHAEBPZIQQJA-MJGOQNOKSA-N 3 1 299.462 2.296 20 0 CEADMP C[N@@H+](CCCn1ccnc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652343752 401491072 /nfs/dbraw/zinc/49/10/72/401491072.db2.gz UBDITHYFHJXVHB-UHFFFAOYSA-N 3 1 284.407 2.051 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)C(C)C ZINC000652351175 401491272 /nfs/dbraw/zinc/49/12/72/401491272.db2.gz JKQMHGBZUXZYNK-ZOBUZTSGSA-N 2 1 295.471 2.081 20 0 CEADMP CCc1cnc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)o1 ZINC000652364058 401495180 /nfs/dbraw/zinc/49/51/80/401495180.db2.gz WHAMCMWOOUFVSX-BPLDGKMQSA-N 2 1 293.411 2.098 20 0 CEADMP CCc1cnc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)o1 ZINC000652364058 401495184 /nfs/dbraw/zinc/49/51/84/401495184.db2.gz WHAMCMWOOUFVSX-BPLDGKMQSA-N 2 1 293.411 2.098 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(CCCO)CC1 ZINC000360086496 155214316 /nfs/dbraw/zinc/21/43/16/155214316.db2.gz DSSKBOWORQLDCN-UHFFFAOYSA-N 2 1 265.401 2.066 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(OC)c1 ZINC000360244075 155251675 /nfs/dbraw/zinc/25/16/75/155251675.db2.gz ZFDCCBVZNQSUAY-NVXWUHKLSA-N 2 1 292.423 2.193 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000193335695 153231192 /nfs/dbraw/zinc/23/11/92/153231192.db2.gz ZUWSIVMXRFEBSM-KCBNDJSGSA-N 2 1 288.435 2.113 20 0 CEADMP Cc1noc([C@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000193477031 153235345 /nfs/dbraw/zinc/23/53/45/153235345.db2.gz ZQDGIGWRLULRJT-AWEZNQCLSA-N 2 1 278.400 2.043 20 0 CEADMP Cc1noc([C@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000193477031 153235353 /nfs/dbraw/zinc/23/53/53/153235353.db2.gz ZQDGIGWRLULRJT-AWEZNQCLSA-N 2 1 278.400 2.043 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000222075189 153310082 /nfs/dbraw/zinc/31/00/82/153310082.db2.gz NMSHNUJKYCKDSS-GXTWGEPZSA-N 2 1 278.396 2.134 20 0 CEADMP COCC[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346817953 154301855 /nfs/dbraw/zinc/30/18/55/154301855.db2.gz BSFBFROCKFIADQ-INIZCTEOSA-N 2 1 262.397 2.135 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CC2(C)C)s1 ZINC000352752329 154332521 /nfs/dbraw/zinc/33/25/21/154332521.db2.gz XYWKTFUFQHEOLN-SNVBAGLBSA-N 2 1 253.415 2.340 20 0 CEADMP CCC(CC)(CCO)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352773064 154336566 /nfs/dbraw/zinc/33/65/66/154336566.db2.gz PPTBKGXHSAKPCA-UHFFFAOYSA-N 2 1 299.484 2.483 20 0 CEADMP CCC[N@@H+](CCOCC[NH3+])[C@H]1CCc2ccccc2C1 ZINC000357075748 154370823 /nfs/dbraw/zinc/37/08/23/154370823.db2.gz OGLCQDHZGCEHRS-KRWDZBQOSA-N 2 1 276.424 2.231 20 0 CEADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)CCOCC[NH3+] ZINC000357072660 154370966 /nfs/dbraw/zinc/37/09/66/154370966.db2.gz HNOYKXAARUHOKN-OAHLLOKOSA-N 2 1 250.386 2.291 20 0 CEADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000357083314 154378873 /nfs/dbraw/zinc/37/88/73/154378873.db2.gz YMESHWGARREZHR-INIZCTEOSA-N 2 1 264.413 2.223 20 0 CEADMP COc1ccc(COCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000357862305 154393261 /nfs/dbraw/zinc/39/32/61/154393261.db2.gz HBBOEOXZGGYWKB-RHSMWYFYSA-N 2 1 292.423 2.142 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000358234499 154529776 /nfs/dbraw/zinc/52/97/76/154529776.db2.gz GFGSXWLZAGRCNE-CVEARBPZSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)N(C)c1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000359719193 155120414 /nfs/dbraw/zinc/12/04/14/155120414.db2.gz LEDQAZHSLNCBKV-HOCLYGCPSA-N 2 1 290.455 2.499 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000359719193 155120416 /nfs/dbraw/zinc/12/04/16/155120416.db2.gz LEDQAZHSLNCBKV-HOCLYGCPSA-N 2 1 290.455 2.499 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000359719193 155120417 /nfs/dbraw/zinc/12/04/17/155120417.db2.gz LEDQAZHSLNCBKV-HOCLYGCPSA-N 2 1 290.455 2.499 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000359719193 155120420 /nfs/dbraw/zinc/12/04/20/155120420.db2.gz LEDQAZHSLNCBKV-HOCLYGCPSA-N 2 1 290.455 2.499 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CCCC3CCOCC3)C2)C1 ZINC000366559212 156078214 /nfs/dbraw/zinc/07/82/14/156078214.db2.gz MLZVPBTUKYCTRZ-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CCCC3CCOCC3)C2)C1 ZINC000366559212 156078216 /nfs/dbraw/zinc/07/82/16/156078216.db2.gz MLZVPBTUKYCTRZ-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCC3CCOCC3)C2)C1 ZINC000366559212 156078220 /nfs/dbraw/zinc/07/82/20/156078220.db2.gz MLZVPBTUKYCTRZ-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C[N@@H+](C[C@H]1CC12CC[NH+](CCCCCO)CC2)C1CC1 ZINC000367209439 156150918 /nfs/dbraw/zinc/15/09/18/156150918.db2.gz PZJCKYPCRGBVLG-OAHLLOKOSA-N 2 1 280.456 2.345 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1O ZINC000367601383 156212770 /nfs/dbraw/zinc/21/27/70/156212770.db2.gz NVXOZYARAHEHDP-ZNMIVQPWSA-N 2 1 290.407 2.363 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000367599147 156214717 /nfs/dbraw/zinc/21/47/17/156214717.db2.gz GPYUQBBNYSKLGE-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367599147 156214721 /nfs/dbraw/zinc/21/47/21/156214721.db2.gz GPYUQBBNYSKLGE-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367599147 156214727 /nfs/dbraw/zinc/21/47/27/156214727.db2.gz GPYUQBBNYSKLGE-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367599570 156215332 /nfs/dbraw/zinc/21/53/32/156215332.db2.gz WLWBFTIHVPSWLG-MHORFTMASA-N 2 1 288.435 2.491 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000367609928 156215485 /nfs/dbraw/zinc/21/54/85/156215485.db2.gz YPJHNGJTSREHJE-ZFWWWQNUSA-N 2 1 276.428 2.497 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000367609928 156215487 /nfs/dbraw/zinc/21/54/87/156215487.db2.gz YPJHNGJTSREHJE-ZFWWWQNUSA-N 2 1 276.428 2.497 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOC(F)F)[C@@H]2CCC[C@@H]21 ZINC000367620114 156217962 /nfs/dbraw/zinc/21/79/62/156217962.db2.gz XRCJBWIVTQFWER-SRVKXCTJSA-N 2 1 262.344 2.078 20 0 CEADMP C[C@H]([NH2+]Cc1cncn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368056856 156275829 /nfs/dbraw/zinc/27/58/29/156275829.db2.gz AMAOOCKPOQEIOP-RDJZCZTQSA-N 2 1 298.434 2.420 20 0 CEADMP C[C@H]([NH2+]Cc1cncn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368056856 156275831 /nfs/dbraw/zinc/27/58/31/156275831.db2.gz AMAOOCKPOQEIOP-RDJZCZTQSA-N 2 1 298.434 2.420 20 0 CEADMP Cc1cnn([C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000368087707 156282544 /nfs/dbraw/zinc/28/25/44/156282544.db2.gz CBQRJQDLMWTOCZ-INIZCTEOSA-N 2 1 276.428 2.314 20 0 CEADMP Cc1cnn([C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000368087707 156282546 /nfs/dbraw/zinc/28/25/46/156282546.db2.gz CBQRJQDLMWTOCZ-INIZCTEOSA-N 2 1 276.428 2.314 20 0 CEADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368603152 156371442 /nfs/dbraw/zinc/37/14/42/156371442.db2.gz MBZVOEUNSBAVCC-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)SCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374910967 157027745 /nfs/dbraw/zinc/02/77/45/157027745.db2.gz KTZWUAMWVQWRGF-HZPDHXFCSA-N 2 1 299.528 2.086 20 0 CEADMP CC/C=C/CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000375097169 157050372 /nfs/dbraw/zinc/05/03/72/157050372.db2.gz QBVBFGMQTZTJDQ-SQRWCISFSA-N 2 1 279.472 2.443 20 0 CEADMP COC(=O)CC[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375463857 157097549 /nfs/dbraw/zinc/09/75/49/157097549.db2.gz AEKGOEGCSDZRPI-NVXWUHKLSA-N 2 1 290.407 2.222 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375450305 157099057 /nfs/dbraw/zinc/09/90/57/157099057.db2.gz XAGYRACNSPRNQW-IXDOHACOSA-N 2 1 276.424 2.430 20 0 CEADMP C[N@@H+](CCCCO)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376165499 157191165 /nfs/dbraw/zinc/19/11/65/157191165.db2.gz IMEHJBOQEXPYOR-UHFFFAOYSA-N 2 1 277.412 2.002 20 0 CEADMP Cn1nccc1[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000376404534 157219349 /nfs/dbraw/zinc/21/93/49/157219349.db2.gz AGVFCSNBZPIHDT-MRXNPFEDSA-N 2 1 290.455 2.476 20 0 CEADMP CCn1cc([C@@H](C)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cn1 ZINC000166290571 162347123 /nfs/dbraw/zinc/34/71/23/162347123.db2.gz HQCRYBBBJOXMNO-OUCADQQQSA-N 2 1 262.401 2.179 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000168621084 162366954 /nfs/dbraw/zinc/36/69/54/162366954.db2.gz NFVZKBSARLWPMG-DZGCQCFKSA-N 2 1 270.380 2.041 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C)CCCC[NH3+] ZINC000417699132 287012214 /nfs/dbraw/zinc/01/22/14/287012214.db2.gz JXZHYSVXCWUPIP-HUUCEWRRSA-N 2 1 298.475 2.068 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000417699134 287011522 /nfs/dbraw/zinc/01/15/22/287011522.db2.gz JXZHYSVXCWUPIP-LSDHHAIUSA-N 2 1 298.475 2.068 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1N(C)C ZINC000093941576 287013391 /nfs/dbraw/zinc/01/33/91/287013391.db2.gz ONAYHCNUJOARMZ-CYBMUJFWSA-N 2 1 261.413 2.497 20 0 CEADMP C[C@@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000192744543 287085037 /nfs/dbraw/zinc/08/50/37/287085037.db2.gz WIQWQMLIPNXLHV-HUUCEWRRSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000173616764 165077239 /nfs/dbraw/zinc/07/72/39/165077239.db2.gz NCMOXCVUHFASIC-OAHLLOKOSA-N 2 1 295.471 2.096 20 0 CEADMP CSCCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000173692082 165077861 /nfs/dbraw/zinc/07/78/61/165077861.db2.gz ZYQQBRTZDJHFKL-UHFFFAOYSA-N 2 1 267.442 2.428 20 0 CEADMP CCC(CC)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173617941 165079231 /nfs/dbraw/zinc/07/92/31/165079231.db2.gz OVQCXDLEFIITLJ-CYBMUJFWSA-N 2 1 283.460 2.142 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC[NH+]1CCCCC1 ZINC000177342840 165195509 /nfs/dbraw/zinc/19/55/09/165195509.db2.gz TWBWNFBVMSJWBN-CVEARBPZSA-N 2 1 265.445 2.031 20 0 CEADMP COc1ccc(OC)c(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000177955548 165217347 /nfs/dbraw/zinc/21/73/47/165217347.db2.gz GYKAKAOSDPKCBG-ZFWWWQNUSA-N 2 1 292.423 2.319 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000178512863 165245954 /nfs/dbraw/zinc/24/59/54/165245954.db2.gz RGQGIKUMLJJUJH-STQMWFEESA-N 2 1 280.416 2.198 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000178845883 165261027 /nfs/dbraw/zinc/26/10/27/165261027.db2.gz QZECHADBYLSMPK-WBMJQRKESA-N 2 1 298.390 2.110 20 0 CEADMP CC[N@@H+](C[C@H](O)c1ccc(C)cc1)CC1CC[NH2+]CC1 ZINC000178975008 165266838 /nfs/dbraw/zinc/26/68/38/165266838.db2.gz HYVOOWAJQAVYKV-KRWDZBQOSA-N 2 1 276.424 2.350 20 0 CEADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000182541436 165374766 /nfs/dbraw/zinc/37/47/66/165374766.db2.gz JTOXBDQGPZCDAI-STQMWFEESA-N 2 1 282.428 2.181 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020143462 171029055 /nfs/dbraw/zinc/02/90/55/171029055.db2.gz AUTOVHXITQXTQC-UHFFFAOYSA-N 2 1 278.444 2.436 20 0 CEADMP CC(C)[C@H](C[NH2+]C1CCC2(CC1)OCCO2)[NH+]1CCCC1 ZINC000020200881 171064982 /nfs/dbraw/zinc/06/49/82/171064982.db2.gz KBWATVDDBLJESO-INIZCTEOSA-N 2 1 296.455 2.382 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000035648365 172324690 /nfs/dbraw/zinc/32/46/90/172324690.db2.gz CRPDQNIMKQCHQN-ZDUSSCGKSA-N 2 1 262.397 2.310 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)C1 ZINC000285663366 196358827 /nfs/dbraw/zinc/35/88/27/196358827.db2.gz MXAPGNDSSMATRD-GJZGRUSLSA-N 2 1 299.422 2.260 20 0 CEADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc(OC)c1 ZINC000037408300 173184324 /nfs/dbraw/zinc/18/43/24/173184324.db2.gz MLHPYQANPYSCOK-ZDUSSCGKSA-N 2 1 290.407 2.278 20 0 CEADMP C[C@@H](CCc1ccccc1F)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414820378 533679864 /nfs/dbraw/zinc/67/98/64/533679864.db2.gz AQJDQAICHFPFRQ-GXTWGEPZSA-N 2 1 250.361 2.488 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000040600833 174350985 /nfs/dbraw/zinc/35/09/85/174350985.db2.gz MAEHRSAIABYUGH-INIZCTEOSA-N 2 1 284.407 2.304 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCCC1 ZINC000401043121 414749886 /nfs/dbraw/zinc/74/98/86/414749886.db2.gz UTNBYKJUGMEPMH-OWCLPIDISA-N 3 1 279.472 2.229 20 0 CEADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCCO1 ZINC000653874165 414768048 /nfs/dbraw/zinc/76/80/48/414768048.db2.gz CCMFFYOAGRRBND-ILXRZTDVSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC[NH+](CC)C1CCCCC1 ZINC000652755253 414780731 /nfs/dbraw/zinc/78/07/31/414780731.db2.gz AGRRFYWHQGTHJD-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP CCC[NH+](C)CC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000652755253 414780738 /nfs/dbraw/zinc/78/07/38/414780738.db2.gz AGRRFYWHQGTHJD-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP CCC[NH+](C)CC(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000652755253 414780744 /nfs/dbraw/zinc/78/07/44/414780744.db2.gz AGRRFYWHQGTHJD-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP CC1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])CC1 ZINC000404359317 414781513 /nfs/dbraw/zinc/78/15/13/414781513.db2.gz NEZKHKSQLQNCRL-GYTBAZASSA-N 2 1 295.471 2.131 20 0 CEADMP CC1CCC(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])CC1 ZINC000404359317 414781521 /nfs/dbraw/zinc/78/15/21/414781521.db2.gz NEZKHKSQLQNCRL-GYTBAZASSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000129077477 414811959 /nfs/dbraw/zinc/81/19/59/414811959.db2.gz YXRSESXPHYZYJM-HIFRSBDPSA-N 2 1 270.380 2.184 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000129077477 414811965 /nfs/dbraw/zinc/81/19/65/414811965.db2.gz YXRSESXPHYZYJM-HIFRSBDPSA-N 2 1 270.380 2.184 20 0 CEADMP CO[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CCC1 ZINC000660540259 414866067 /nfs/dbraw/zinc/86/60/67/414866067.db2.gz AWHCOGJSSJRLKE-QXULXFAOSA-N 2 1 266.429 2.359 20 0 CEADMP CO[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCC1 ZINC000660540259 414866072 /nfs/dbraw/zinc/86/60/72/414866072.db2.gz AWHCOGJSSJRLKE-QXULXFAOSA-N 2 1 266.429 2.359 20 0 CEADMP CO[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCC1 ZINC000660540259 414866075 /nfs/dbraw/zinc/86/60/75/414866075.db2.gz AWHCOGJSSJRLKE-QXULXFAOSA-N 2 1 266.429 2.359 20 0 CEADMP Cn1ncc(C2CC2)c1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657312967 414854129 /nfs/dbraw/zinc/85/41/29/414854129.db2.gz DXYVOCCWGZOFGE-KGLIPLIRSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657312967 414854135 /nfs/dbraw/zinc/85/41/35/414854135.db2.gz DXYVOCCWGZOFGE-KGLIPLIRSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657312967 414854138 /nfs/dbraw/zinc/85/41/38/414854138.db2.gz DXYVOCCWGZOFGE-KGLIPLIRSA-N 2 1 274.412 2.014 20 0 CEADMP CC[C@H]1C[N@H+](Cc2c(C)nn(CC)c2C)CC[C@@H]1[NH3+] ZINC000307977268 414854887 /nfs/dbraw/zinc/85/48/87/414854887.db2.gz XWHGNFJJISGGIW-ZFWWWQNUSA-N 2 1 264.417 2.079 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2c(C)nn(CC)c2C)CC[C@@H]1[NH3+] ZINC000307977268 414854892 /nfs/dbraw/zinc/85/48/92/414854892.db2.gz XWHGNFJJISGGIW-ZFWWWQNUSA-N 2 1 264.417 2.079 20 0 CEADMP C[C@H](C[NH2+]Cc1ccnn1CC1CC1)C[NH+]1CCCC1 ZINC000657319074 414859020 /nfs/dbraw/zinc/85/90/20/414859020.db2.gz QRZGACIJTBCRFP-CQSZACIVSA-N 2 1 276.428 2.115 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C1CCCC1 ZINC000311926766 414863338 /nfs/dbraw/zinc/86/33/38/414863338.db2.gz HJPDTOKZYLRUPY-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000311926766 414863343 /nfs/dbraw/zinc/86/33/43/414863343.db2.gz HJPDTOKZYLRUPY-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000311926766 414863347 /nfs/dbraw/zinc/86/33/47/414863347.db2.gz HJPDTOKZYLRUPY-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](c1cccnc1)C(C)(C)CO ZINC000660637778 414907738 /nfs/dbraw/zinc/90/77/38/414907738.db2.gz IVSVLQVOWUOBOD-HOTGVXAUSA-N 2 1 291.439 2.215 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](c1cccnc1)C(C)(C)CO ZINC000660637778 414907742 /nfs/dbraw/zinc/90/77/42/414907742.db2.gz IVSVLQVOWUOBOD-HOTGVXAUSA-N 2 1 291.439 2.215 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCCN(CCC(F)(F)F)C2 ZINC000660658872 414921380 /nfs/dbraw/zinc/92/13/80/414921380.db2.gz KTWYUXIXZVESSF-NSHDSACASA-N 2 1 250.308 2.357 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663343705 414921826 /nfs/dbraw/zinc/92/18/26/414921826.db2.gz BUTMYRJKYPHUFH-MRXNPFEDSA-N 2 1 289.423 2.302 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663343705 414921829 /nfs/dbraw/zinc/92/18/29/414921829.db2.gz BUTMYRJKYPHUFH-MRXNPFEDSA-N 2 1 289.423 2.302 20 0 CEADMP Cc1cccnc1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660663402 414922663 /nfs/dbraw/zinc/92/26/63/414922663.db2.gz NXPYMZWFFSHLLP-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cccnc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660663402 414922668 /nfs/dbraw/zinc/92/26/68/414922668.db2.gz NXPYMZWFFSHLLP-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cccnc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660663402 414922672 /nfs/dbraw/zinc/92/26/72/414922672.db2.gz NXPYMZWFFSHLLP-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cccnc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660663402 414922676 /nfs/dbraw/zinc/92/26/76/414922676.db2.gz NXPYMZWFFSHLLP-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cccnc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660663402 414922677 /nfs/dbraw/zinc/92/26/77/414922677.db2.gz NXPYMZWFFSHLLP-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1nc(CC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cs1 ZINC000660661783 414922930 /nfs/dbraw/zinc/92/29/30/414922930.db2.gz GOSNHDHBFGDLDZ-HNNXBMFYSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1nc(CC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cs1 ZINC000660661783 414922934 /nfs/dbraw/zinc/92/29/34/414922934.db2.gz GOSNHDHBFGDLDZ-HNNXBMFYSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1nc(CC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cs1 ZINC000660661783 414922937 /nfs/dbraw/zinc/92/29/37/414922937.db2.gz GOSNHDHBFGDLDZ-HNNXBMFYSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1nc(CC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cs1 ZINC000660661783 414922942 /nfs/dbraw/zinc/92/29/42/414922942.db2.gz GOSNHDHBFGDLDZ-HNNXBMFYSA-N 2 1 279.453 2.412 20 0 CEADMP Cn1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663345598 414923436 /nfs/dbraw/zinc/92/34/36/414923436.db2.gz LNGZXXNKIGSNGK-HNNXBMFYSA-N 2 1 261.413 2.237 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCc1ccncc1)C2 ZINC000660664649 414923587 /nfs/dbraw/zinc/92/35/87/414923587.db2.gz RHZFMNLSAMYMSV-KRWDZBQOSA-N 2 1 273.424 2.432 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000653176341 414937248 /nfs/dbraw/zinc/93/72/48/414937248.db2.gz QTGLDNRATKSJCM-CQSZACIVSA-N 2 1 291.439 2.414 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000653176253 414937587 /nfs/dbraw/zinc/93/75/87/414937587.db2.gz OBGLIWOYEKXXQP-OAGGEKHMSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000314487350 414870417 /nfs/dbraw/zinc/87/04/17/414870417.db2.gz CSDJKQNCHOIIFB-KEYYUXOJSA-N 2 1 287.407 2.074 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000314487350 414870423 /nfs/dbraw/zinc/87/04/23/414870423.db2.gz CSDJKQNCHOIIFB-KEYYUXOJSA-N 2 1 287.407 2.074 20 0 CEADMP c1ncn2c1C[N@H+](CCN1CCCc3ccccc31)CC2 ZINC000660581630 414886297 /nfs/dbraw/zinc/88/62/97/414886297.db2.gz DRNHNFWYWXVYSH-UHFFFAOYSA-N 2 1 282.391 2.152 20 0 CEADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cnc2n1CCC2)C(C)(C)C ZINC000657363610 414888390 /nfs/dbraw/zinc/88/83/90/414888390.db2.gz NYKCKAXOXVKJHE-CQSZACIVSA-N 2 1 278.444 2.285 20 0 CEADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1nccn1-c1ccccc1 ZINC000663502387 414973904 /nfs/dbraw/zinc/97/39/04/414973904.db2.gz HRAVAWXMPFQASE-OAHLLOKOSA-N 2 1 272.396 2.335 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000657562283 415002617 /nfs/dbraw/zinc/00/26/17/415002617.db2.gz MEGGOIBPNQLINO-HZSPNIEDSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000657562283 415002621 /nfs/dbraw/zinc/00/26/21/415002621.db2.gz MEGGOIBPNQLINO-HZSPNIEDSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C(C)(C)C)C2)C[NH+]1C1CC1 ZINC000657562283 415002625 /nfs/dbraw/zinc/00/26/25/415002625.db2.gz MEGGOIBPNQLINO-HZSPNIEDSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C(C)(C)C)C2)C[NH+]1C1CC1 ZINC000657562283 415002629 /nfs/dbraw/zinc/00/26/29/415002629.db2.gz MEGGOIBPNQLINO-HZSPNIEDSA-N 2 1 265.445 2.074 20 0 CEADMP CCCCC[N@@H+](CCNC(=O)[C@@H](C)[NH3+])Cc1ccccc1 ZINC000653200430 414945708 /nfs/dbraw/zinc/94/57/08/414945708.db2.gz DSEHKZWGZOFKME-OAHLLOKOSA-N 2 1 291.439 2.142 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000663468043 414962038 /nfs/dbraw/zinc/96/20/38/414962038.db2.gz JYHQXNCAZRLPQA-WBVHZDCISA-N 3 1 293.499 2.428 20 0 CEADMP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466143 414962959 /nfs/dbraw/zinc/96/29/59/414962959.db2.gz ONZAAIRLSKACON-GOEBONIOSA-N 2 1 288.439 2.119 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccnn1C ZINC000663466093 414963638 /nfs/dbraw/zinc/96/36/38/414963638.db2.gz NZUCDEKZQMZPNE-HIFRSBDPSA-N 2 1 276.428 2.193 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccnn1C ZINC000663466093 414963643 /nfs/dbraw/zinc/96/36/43/414963643.db2.gz NZUCDEKZQMZPNE-HIFRSBDPSA-N 2 1 276.428 2.193 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)c1ccc(OC)cc1 ZINC000653598353 415047687 /nfs/dbraw/zinc/04/76/87/415047687.db2.gz WTXXYWABRPAXFX-GDBMZVCRSA-N 2 1 280.412 2.049 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1ccc(OC)cc1 ZINC000653598353 415047694 /nfs/dbraw/zinc/04/76/94/415047694.db2.gz WTXXYWABRPAXFX-GDBMZVCRSA-N 2 1 280.412 2.049 20 0 CEADMP C[C@@H](CNc1[nH+]ccc2c(N)cccc21)C[NH+](C)C ZINC000663932841 415092310 /nfs/dbraw/zinc/09/23/10/415092310.db2.gz ZQMJRMZHLYZCFZ-NSHDSACASA-N 2 1 258.369 2.427 20 0 CEADMP CCCC[N@@H+](CCCc1cncn1C)CCOC ZINC000653554982 415032528 /nfs/dbraw/zinc/03/25/28/415032528.db2.gz CXEDCCCWEOCPKM-UHFFFAOYSA-N 2 1 253.390 2.101 20 0 CEADMP CCCC[N@H+](CCCc1c[nH+]cn1C)CCOC ZINC000653554982 415032534 /nfs/dbraw/zinc/03/25/34/415032534.db2.gz CXEDCCCWEOCPKM-UHFFFAOYSA-N 2 1 253.390 2.101 20 0 CEADMP CCCC[N@@H+](CCCc1c[nH+]cn1C)CCOC ZINC000653554982 415032539 /nfs/dbraw/zinc/03/25/39/415032539.db2.gz CXEDCCCWEOCPKM-UHFFFAOYSA-N 2 1 253.390 2.101 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCn3nccc32)CC1 ZINC000657908355 415121194 /nfs/dbraw/zinc/12/11/94/415121194.db2.gz IANLIKPUCIOSSD-AWEZNQCLSA-N 2 1 262.401 2.180 20 0 CEADMP C[N@H+]1C[C@@H]2CCCN(c3[nH+]ccc4[nH]ccc43)[C@@H]2C1 ZINC000664036788 415133247 /nfs/dbraw/zinc/13/32/47/415133247.db2.gz UUWQWRHSGLWGLM-SMDDNHRTSA-N 2 1 256.353 2.093 20 0 CEADMP CCC[NH+]1CCC(NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658058440 415180886 /nfs/dbraw/zinc/18/08/86/415180886.db2.gz SWRMQHJGCFBJMU-HNNXBMFYSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CCN2C(C)(C)C)CC1 ZINC000658058440 415180895 /nfs/dbraw/zinc/18/08/95/415180895.db2.gz SWRMQHJGCFBJMU-HNNXBMFYSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000655273658 415169043 /nfs/dbraw/zinc/16/90/43/415169043.db2.gz JSFKAQXDOHJQKL-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)(C)[N@@H+]1CC[C@H]1CNc1cc[nH+]cc1Cl ZINC000664141936 415192413 /nfs/dbraw/zinc/19/24/13/415192413.db2.gz DLAIGEYJIXADQS-JTQLQIEISA-N 2 1 253.777 2.442 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1CNc1cc[nH+]cc1Cl ZINC000664141936 415192418 /nfs/dbraw/zinc/19/24/18/415192418.db2.gz DLAIGEYJIXADQS-JTQLQIEISA-N 2 1 253.777 2.442 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000044527846 175192773 /nfs/dbraw/zinc/19/27/73/175192773.db2.gz RRNFJGQKNGCMOS-AWEZNQCLSA-N 2 1 270.380 2.043 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000044527846 175192775 /nfs/dbraw/zinc/19/27/75/175192775.db2.gz RRNFJGQKNGCMOS-AWEZNQCLSA-N 2 1 270.380 2.043 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000661439715 415265428 /nfs/dbraw/zinc/26/54/28/415265428.db2.gz BIHMOSQGMIHKSC-LSDHHAIUSA-N 2 1 256.434 2.201 20 0 CEADMP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000655493146 415301704 /nfs/dbraw/zinc/30/17/04/415301704.db2.gz CQMQOYGKMFPFKQ-OAHLLOKOSA-N 2 1 289.423 2.019 20 0 CEADMP CN(C[C@H](O)C[N@H+]1CC[C@H](C2CCCCC2)C1)C1CC1 ZINC000661579595 415337146 /nfs/dbraw/zinc/33/71/46/415337146.db2.gz XWWXSTCIQWXUGH-RDJZCZTQSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](C2CCCCC2)C1)C1CC1 ZINC000661579595 415337150 /nfs/dbraw/zinc/33/71/50/415337150.db2.gz XWWXSTCIQWXUGH-RDJZCZTQSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](C2CCCCC2)C1)C1CC1 ZINC000661579595 415337158 /nfs/dbraw/zinc/33/71/58/415337158.db2.gz XWWXSTCIQWXUGH-RDJZCZTQSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](C2CCCCC2)C1)C1CC1 ZINC000661579595 415337164 /nfs/dbraw/zinc/33/71/64/415337164.db2.gz XWWXSTCIQWXUGH-RDJZCZTQSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](C2CCCCC2)C1)C1CC1 ZINC000661579595 415337169 /nfs/dbraw/zinc/33/71/69/415337169.db2.gz XWWXSTCIQWXUGH-RDJZCZTQSA-N 2 1 280.456 2.344 20 0 CEADMP c1ccc2c(c1)C[C@@H]2C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655709272 415401174 /nfs/dbraw/zinc/40/11/74/415401174.db2.gz VOJTXYUEMPSPCJ-NVXWUHKLSA-N 2 1 286.419 2.169 20 0 CEADMP C[C@]1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCS1 ZINC000655722510 415410818 /nfs/dbraw/zinc/41/08/18/415410818.db2.gz CINGBNLXIKYLKB-LSDHHAIUSA-N 2 1 284.469 2.115 20 0 CEADMP CC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000655728416 415416804 /nfs/dbraw/zinc/41/68/04/415416804.db2.gz YQUBRQWLURNQOO-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1(C2CC2)CC1 ZINC000655738720 415427227 /nfs/dbraw/zinc/42/72/27/415427227.db2.gz WMCRGSDXSMNQFU-MRXNPFEDSA-N 2 1 278.440 2.410 20 0 CEADMP O[C@]1(C2CC2)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000661629371 415370145 /nfs/dbraw/zinc/37/01/45/415370145.db2.gz YJVAIRFMPDEIHD-MRXNPFEDSA-N 2 1 266.429 2.099 20 0 CEADMP CCCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655684358 415383740 /nfs/dbraw/zinc/38/37/40/415383740.db2.gz PEOBPNWPSLSXSI-HNNXBMFYSA-N 2 1 254.418 2.410 20 0 CEADMP Fc1ccccc1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655682386 415384864 /nfs/dbraw/zinc/38/48/64/415384864.db2.gz DGFNDGUYCYRWFY-INIZCTEOSA-N 2 1 292.398 2.211 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH2+]C)C1 ZINC000659017983 415388834 /nfs/dbraw/zinc/38/88/34/415388834.db2.gz BEBGDHJLDYXJTA-CQSZACIVSA-N 2 1 290.411 2.012 20 0 CEADMP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000655692049 415388773 /nfs/dbraw/zinc/38/87/73/415388773.db2.gz CSIIEOKOSNOLNY-INIZCTEOSA-N 2 1 292.398 2.477 20 0 CEADMP CC1(C)CC(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655758113 415437043 /nfs/dbraw/zinc/43/70/43/415437043.db2.gz QVSGBGTTZDHRDV-HNNXBMFYSA-N 2 1 266.429 2.266 20 0 CEADMP CC1(C)CC(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655758114 415439073 /nfs/dbraw/zinc/43/90/73/415439073.db2.gz QVSGBGTTZDHRDV-OAHLLOKOSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655762186 415442393 /nfs/dbraw/zinc/44/23/93/415442393.db2.gz BVEBJGWYTHCOJD-IJEWVQPXSA-N 2 1 266.429 2.266 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000655773724 415450790 /nfs/dbraw/zinc/45/07/90/415450790.db2.gz FREGGRKWBNNERD-UAGQMJEPSA-N 2 1 278.440 2.266 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1CCCn2ccnc21)C1CC1 ZINC000655775263 415455794 /nfs/dbraw/zinc/45/57/94/415455794.db2.gz VBLLFWHZGFNAGN-AWEZNQCLSA-N 2 1 262.401 2.182 20 0 CEADMP COCC1(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655779692 415458902 /nfs/dbraw/zinc/45/89/02/415458902.db2.gz QQPOUNKIFWHFQI-MRXNPFEDSA-N 2 1 296.455 2.036 20 0 CEADMP Cc1ncncc1[C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000655793666 415474292 /nfs/dbraw/zinc/47/42/92/415474292.db2.gz ZDQHFCMGHREMPY-CYBMUJFWSA-N 2 1 264.417 2.414 20 0 CEADMP Cc1ncncc1[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000655793666 415474296 /nfs/dbraw/zinc/47/42/96/415474296.db2.gz ZDQHFCMGHREMPY-CYBMUJFWSA-N 2 1 264.417 2.414 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@H]1CCCCO1 ZINC000655848931 415515192 /nfs/dbraw/zinc/51/51/92/415515192.db2.gz LQCFTEMMDWJPMM-HUUCEWRRSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1noc2ccccc21 ZINC000655942364 415559738 /nfs/dbraw/zinc/55/97/38/415559738.db2.gz OVLLHTLLDVQJCW-RYUDHWBXSA-N 2 1 259.353 2.182 20 0 CEADMP Cc1ccc2[nH]c(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)nc2c1 ZINC000656193039 415627464 /nfs/dbraw/zinc/62/74/64/415627464.db2.gz JWPRZDNZRFSVQT-NEPJUHHUSA-N 2 1 258.369 2.231 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)[nH]c2c1 ZINC000656193039 415627467 /nfs/dbraw/zinc/62/74/67/415627467.db2.gz JWPRZDNZRFSVQT-NEPJUHHUSA-N 2 1 258.369 2.231 20 0 CEADMP CN(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656196101 415630956 /nfs/dbraw/zinc/63/09/56/415630956.db2.gz YVAGCTJLBFMILH-ULQDDVLXSA-N 2 1 275.440 2.019 20 0 CEADMP Cc1cnc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000656199982 415633634 /nfs/dbraw/zinc/63/36/34/415633634.db2.gz HVXHFCNZGKWUTR-ZBFHGGJFSA-N 2 1 261.413 2.361 20 0 CEADMP CC[C@@H]([NH2+]CCc1noc2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000665232229 415633971 /nfs/dbraw/zinc/63/39/71/415633971.db2.gz ISGGJUGIAFCVBE-HIFRSBDPSA-N 2 1 273.380 2.491 20 0 CEADMP COc1cccc(OC)c1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000665237913 415638900 /nfs/dbraw/zinc/63/89/00/415638900.db2.gz MBDPWZNCRZBDDD-GXTWGEPZSA-N 2 1 278.396 2.182 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000665265510 415657962 /nfs/dbraw/zinc/65/79/62/415657962.db2.gz XDSMLIKYHMSLFX-KBPBESRZSA-N 2 1 262.401 2.047 20 0 CEADMP O[C@H]1CC[N@H+](C2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000662160131 415660140 /nfs/dbraw/zinc/66/01/40/415660140.db2.gz MPVUNJFBVPBAOZ-SFHVURJKSA-N 2 1 288.435 2.150 20 0 CEADMP C[C@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000665268129 415661436 /nfs/dbraw/zinc/66/14/36/415661436.db2.gz IDDVEWVHJAJTMQ-SQWLQELKSA-N 2 1 265.445 2.124 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H](NCC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000665280974 415671600 /nfs/dbraw/zinc/67/16/00/415671600.db2.gz QVWMKQBSISLYOS-BRWVUGGUSA-N 2 1 299.503 2.086 20 0 CEADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000665280974 415671606 /nfs/dbraw/zinc/67/16/06/415671606.db2.gz QVWMKQBSISLYOS-BRWVUGGUSA-N 3 1 299.503 2.086 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000665280974 415671608 /nfs/dbraw/zinc/67/16/08/415671608.db2.gz QVWMKQBSISLYOS-BRWVUGGUSA-N 3 1 299.503 2.086 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NCC[C@@H]1CCC[NH+]1C ZINC000662176411 415673065 /nfs/dbraw/zinc/67/30/65/415673065.db2.gz DXQGZUSHGRROAO-AWEZNQCLSA-N 2 1 255.450 2.181 20 0 CEADMP CCC[NH+](C)CC(C)(C)NCC[C@@H]1CCC[N@@H+]1C ZINC000662176411 415673072 /nfs/dbraw/zinc/67/30/72/415673072.db2.gz DXQGZUSHGRROAO-AWEZNQCLSA-N 2 1 255.450 2.181 20 0 CEADMP CCC[NH+](C)CC(C)(C)NCC[C@@H]1CCC[N@H+]1C ZINC000662176411 415673078 /nfs/dbraw/zinc/67/30/78/415673078.db2.gz DXQGZUSHGRROAO-AWEZNQCLSA-N 2 1 255.450 2.181 20 0 CEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000665297894 415684107 /nfs/dbraw/zinc/68/41/07/415684107.db2.gz NTTXLIQUXHVZAS-WDEREUQCSA-N 2 1 256.340 2.483 20 0 CEADMP CC[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000665299155 415684574 /nfs/dbraw/zinc/68/45/74/415684574.db2.gz HOWNWQAJZMKVMP-BBWFWOEESA-N 3 1 279.472 2.229 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2cc(C)cc(C)c2)C1 ZINC000071147479 176043300 /nfs/dbraw/zinc/04/33/00/176043300.db2.gz SBQPQJGKHIUJQY-HNNXBMFYSA-N 2 1 262.397 2.224 20 0 CEADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000662221557 415693634 /nfs/dbraw/zinc/69/36/34/415693634.db2.gz ASKXNRFTNXKAOR-QGZVFWFLSA-N 2 1 273.424 2.197 20 0 CEADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000071302570 176114381 /nfs/dbraw/zinc/11/43/81/176114381.db2.gz NQEKNNZLBLCQDR-SFHVURJKSA-N 2 1 288.435 2.054 20 0 CEADMP CCC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255682 415719636 /nfs/dbraw/zinc/71/96/36/415719636.db2.gz DDSMQMDVCIPKGS-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@@H]1CCCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254770 415720737 /nfs/dbraw/zinc/72/07/37/415720737.db2.gz LIWQWPWQWHMCML-KGLIPLIRSA-N 2 1 252.402 2.162 20 0 CEADMP CO[C@H](C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+])C1CCCC1 ZINC000662243947 415704775 /nfs/dbraw/zinc/70/47/75/415704775.db2.gz DPLBGXQDKPOTMF-AEGPPILISA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+])C1CCCC1 ZINC000662243947 415704779 /nfs/dbraw/zinc/70/47/79/415704779.db2.gz DPLBGXQDKPOTMF-AEGPPILISA-N 2 1 254.418 2.251 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC[C@@H]2CCc3ccccc32)CCO1 ZINC000662247269 415707503 /nfs/dbraw/zinc/70/75/03/415707503.db2.gz DTDCGJBSISLFRS-JLJPHGGASA-N 2 1 274.408 2.155 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)CCO1 ZINC000662247269 415707506 /nfs/dbraw/zinc/70/75/06/415707506.db2.gz DTDCGJBSISLFRS-JLJPHGGASA-N 2 1 274.408 2.155 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](OC)C1CCCCC1 ZINC000662245090 415708589 /nfs/dbraw/zinc/70/85/89/415708589.db2.gz KDTGJPAUVSPIHL-CABCVRRESA-N 2 1 254.418 2.266 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](OC)C1CCCCC1 ZINC000662245090 415708593 /nfs/dbraw/zinc/70/85/93/415708593.db2.gz KDTGJPAUVSPIHL-CABCVRRESA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248547 415710349 /nfs/dbraw/zinc/71/03/49/415710349.db2.gz FSVZTOZGRVDRBV-DZGCQCFKSA-N 2 1 260.381 2.200 20 0 CEADMP c1csc(C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)c1 ZINC000662250438 415710372 /nfs/dbraw/zinc/71/03/72/415710372.db2.gz HZAOYZDZKNYJPE-CYBMUJFWSA-N 2 1 278.421 2.234 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662247792 415711133 /nfs/dbraw/zinc/71/11/33/415711133.db2.gz LDTPLVIJMSAVRI-QGZVFWFLSA-N 3 1 275.440 2.138 20 0 CEADMP CC(C)[C@H]([NH3+])CCN(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662247792 415711139 /nfs/dbraw/zinc/71/11/39/415711139.db2.gz LDTPLVIJMSAVRI-QGZVFWFLSA-N 2 1 275.440 2.138 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC12CCOCC2 ZINC000662272630 415739675 /nfs/dbraw/zinc/73/96/75/415739675.db2.gz GLHDASXJHJEUBJ-LVQVYYBASA-N 2 1 278.440 2.110 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOCc1ccccc1 ZINC000662275564 415743776 /nfs/dbraw/zinc/74/37/76/415743776.db2.gz CASRSPDBQPORTK-AWEZNQCLSA-N 2 1 250.386 2.166 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C1CCC1 ZINC000662277170 415746136 /nfs/dbraw/zinc/74/61/36/415746136.db2.gz RYKSJGIQXFVAHU-OWCLPIDISA-N 2 1 266.429 2.266 20 0 CEADMP CCc1nocc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000662285198 415750968 /nfs/dbraw/zinc/75/09/68/415750968.db2.gz ZHHJUCLUMBWIBD-NUEKZKHPSA-N 2 1 293.411 2.098 20 0 CEADMP c1ccc(CCC[C@@H]2CCC[N@H+]2C[C@@H]2CNCCO2)cc1 ZINC000662283803 415751229 /nfs/dbraw/zinc/75/12/29/415751229.db2.gz CXVLUIZDARXEAA-MSOLQXFVSA-N 2 1 288.435 2.462 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC3CC=CC3)C2)C1 ZINC000662285505 415751448 /nfs/dbraw/zinc/75/14/48/415751448.db2.gz KRJDPNUZALIORR-XHSDSOJGSA-N 2 1 264.413 2.171 20 0 CEADMP CCO[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)C[C@H]1C[NH3+] ZINC000662286950 415754596 /nfs/dbraw/zinc/75/45/96/415754596.db2.gz URXKUIFUETZYSN-JFIYKMOQSA-N 2 1 288.435 2.402 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CCC1 ZINC000662287300 415756317 /nfs/dbraw/zinc/75/63/17/415756317.db2.gz XZKVBQBTRQZWQE-VVLHAWIVSA-N 2 1 296.455 2.020 20 0 CEADMP CO[C@@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CCCC1 ZINC000662325409 415780438 /nfs/dbraw/zinc/78/04/38/415780438.db2.gz FXXNQPSAHYETIO-SJORKVTESA-N 2 1 298.471 2.234 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CCO1 ZINC000662323692 415781209 /nfs/dbraw/zinc/78/12/09/415781209.db2.gz PHUOKGSNHVZTRR-KBPBESRZSA-N 2 1 290.398 2.464 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662458265 415850397 /nfs/dbraw/zinc/85/03/97/415850397.db2.gz ZJTAYTCXUXDVST-INIZCTEOSA-N 2 1 289.423 2.069 20 0 CEADMP CO[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C1CCCC1 ZINC000659947761 415800586 /nfs/dbraw/zinc/80/05/86/415800586.db2.gz NEMQVPXIIUTIJD-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000659947761 415800592 /nfs/dbraw/zinc/80/05/92/415800592.db2.gz NEMQVPXIIUTIJD-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000659947761 415800597 /nfs/dbraw/zinc/80/05/97/415800597.db2.gz NEMQVPXIIUTIJD-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2COC(C)(C)C2)C1 ZINC000659975536 415819028 /nfs/dbraw/zinc/81/90/28/415819028.db2.gz XDDJRDDAJTWRFR-HUUCEWRRSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659975536 415819031 /nfs/dbraw/zinc/81/90/31/415819031.db2.gz XDDJRDDAJTWRFR-HUUCEWRRSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659975536 415819035 /nfs/dbraw/zinc/81/90/35/415819035.db2.gz XDDJRDDAJTWRFR-HUUCEWRRSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C1CCC1 ZINC000659975264 415819644 /nfs/dbraw/zinc/81/96/44/415819644.db2.gz WPNUGLGDDDHTQG-DOTOQJQBSA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CCC1 ZINC000659975264 415819651 /nfs/dbraw/zinc/81/96/51/415819651.db2.gz WPNUGLGDDDHTQG-DOTOQJQBSA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CCC1 ZINC000659975264 415819655 /nfs/dbraw/zinc/81/96/55/415819655.db2.gz WPNUGLGDDDHTQG-DOTOQJQBSA-N 2 1 280.456 2.465 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(=O)NCC(C)C)C[C@@H]1C ZINC000659982986 415824312 /nfs/dbraw/zinc/82/43/12/415824312.db2.gz AZIXUHZBLHVCMB-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC(=O)NCC(C)C)C[C@@H]1C ZINC000659982986 415824319 /nfs/dbraw/zinc/82/43/19/415824319.db2.gz AZIXUHZBLHVCMB-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC(=O)NCC(C)C)C[C@@H]1C ZINC000659982986 415824322 /nfs/dbraw/zinc/82/43/22/415824322.db2.gz AZIXUHZBLHVCMB-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000662621999 415908138 /nfs/dbraw/zinc/90/81/38/415908138.db2.gz OAYFFWSVTPDEKX-ZNMIVQPWSA-N 2 1 295.471 2.273 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000656791146 415863749 /nfs/dbraw/zinc/86/37/49/415863749.db2.gz DMDDYLBCMMOKAD-HZPDHXFCSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C(C)(C)C1 ZINC000660278243 415951812 /nfs/dbraw/zinc/95/18/12/415951812.db2.gz RHYPVCVIVTVFSF-KBPBESRZSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000660278243 415951817 /nfs/dbraw/zinc/95/18/17/415951817.db2.gz RHYPVCVIVTVFSF-KBPBESRZSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000660278243 415951821 /nfs/dbraw/zinc/95/18/21/415951821.db2.gz RHYPVCVIVTVFSF-KBPBESRZSA-N 2 1 256.434 2.056 20 0 CEADMP CCN(C(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)C1CCCCC1 ZINC000078505312 177348248 /nfs/dbraw/zinc/34/82/48/177348248.db2.gz KYBPDUWLMQZCRG-HUUCEWRRSA-N 2 1 295.471 2.227 20 0 CEADMP CCN(C(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)C1CCCCC1 ZINC000078505312 177348250 /nfs/dbraw/zinc/34/82/50/177348250.db2.gz KYBPDUWLMQZCRG-HUUCEWRRSA-N 2 1 295.471 2.227 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000666753699 419417360 /nfs/dbraw/zinc/41/73/60/419417360.db2.gz WIRZVGIQBWEETA-UHFFFAOYSA-N 2 1 289.423 2.186 20 0 CEADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770612 419425135 /nfs/dbraw/zinc/42/51/35/419425135.db2.gz MXRHZVQGSITIDQ-HIFRSBDPSA-N 2 1 290.407 2.468 20 0 CEADMP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC000666769837 419425594 /nfs/dbraw/zinc/42/55/94/419425594.db2.gz FVSOWERCLPPQSR-OAHLLOKOSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858002 419451270 /nfs/dbraw/zinc/45/12/70/419451270.db2.gz SPOCYCSGENPJGO-HNNXBMFYSA-N 2 1 284.407 2.412 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C(C)(C)C ZINC000667040123 419526708 /nfs/dbraw/zinc/52/67/08/419526708.db2.gz VBNOWPYINPWWJH-TZMCWYRMSA-N 2 1 279.432 2.056 20 0 CEADMP Cc1cc(NC(=O)NCC[C@H](C)[NH+](C)C)cn2cc[nH+]c12 ZINC000667147994 419562361 /nfs/dbraw/zinc/56/23/61/419562361.db2.gz OKZBDPDBUYNYPX-LBPRGKRZSA-N 2 1 289.383 2.104 20 0 CEADMP Cc1[nH+]cc(CN(C)C2CC[NH+](C(C)C)CC2)n1C ZINC000667494225 419696479 /nfs/dbraw/zinc/69/64/79/419696479.db2.gz RHWKNHPWTAJXPB-UHFFFAOYSA-N 2 1 264.417 2.033 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc3n2CCC3)CC1 ZINC000667534984 419703389 /nfs/dbraw/zinc/70/33/89/419703389.db2.gz SVASYOCLRKQGED-UHFFFAOYSA-N 2 1 290.455 2.382 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CC[NH+](Cc2ccsc2)CC1 ZINC000666616119 419743993 /nfs/dbraw/zinc/74/39/93/419743993.db2.gz RRRAHWUFMISMCV-HNNXBMFYSA-N 2 1 281.469 2.239 20 0 CEADMP c1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000667643287 419745093 /nfs/dbraw/zinc/74/50/93/419745093.db2.gz ZZFLQZWNZGYCIC-KBPBESRZSA-N 2 1 268.364 2.499 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000667712582 419778408 /nfs/dbraw/zinc/77/84/08/419778408.db2.gz JVXYSILLAVMONW-GASCZTMLSA-N 2 1 260.381 2.045 20 0 CEADMP Cc1ccc2cc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)[nH]c2c1 ZINC000667712770 419778762 /nfs/dbraw/zinc/77/87/62/419778762.db2.gz PBADSLDSUZTSKF-ZIAGYGMSSA-N 2 1 255.365 2.128 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667853685 419828432 /nfs/dbraw/zinc/82/84/32/419828432.db2.gz LCNIPUCMPGQEJQ-VNQPRFMTSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000335518443 287619112 /nfs/dbraw/zinc/61/91/12/287619112.db2.gz NFTRHUINQFTQNX-PBHICJAKSA-N 3 1 279.472 2.371 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000252231573 270328946 /nfs/dbraw/zinc/32/89/46/270328946.db2.gz ZXODRZFILQTVPI-ZFWWWQNUSA-N 2 1 262.397 2.469 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000521371892 260089340 /nfs/dbraw/zinc/08/93/40/260089340.db2.gz OXEBRAXGDWVNSU-XHSDSOJGSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000521371892 260089341 /nfs/dbraw/zinc/08/93/41/260089341.db2.gz OXEBRAXGDWVNSU-XHSDSOJGSA-N 2 1 279.472 2.322 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)ccn1 ZINC000517974379 260329415 /nfs/dbraw/zinc/32/94/15/260329415.db2.gz ZUNBCCQKDDMGBI-CYBMUJFWSA-N 2 1 265.401 2.471 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)ccn1 ZINC000517974379 260329417 /nfs/dbraw/zinc/32/94/17/260329417.db2.gz ZUNBCCQKDDMGBI-CYBMUJFWSA-N 2 1 265.401 2.471 20 0 CEADMP c1cn(CCC[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cn1 ZINC000518179295 260350627 /nfs/dbraw/zinc/35/06/27/260350627.db2.gz TXSBKTSLVJYXEU-GJZGRUSLSA-N 2 1 263.385 2.164 20 0 CEADMP COCc1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414774652 263043991 /nfs/dbraw/zinc/04/39/91/263043991.db2.gz FQGWFHOBEOWIGT-CHWSQXEVSA-N 2 1 295.452 2.111 20 0 CEADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1OC(F)F ZINC000414791497 263048913 /nfs/dbraw/zinc/04/89/13/263048913.db2.gz BIVDWCYXCJPNOB-LLVKDONJSA-N 2 1 286.322 2.124 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](Cn2cccn2)C(C)C)C1 ZINC000453103919 263189569 /nfs/dbraw/zinc/18/95/69/263189569.db2.gz XXSNJIADKOEIQW-JKSUJKDBSA-N 2 1 278.444 2.229 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCOCCc1ccccc1 ZINC000430563285 263280357 /nfs/dbraw/zinc/28/03/57/263280357.db2.gz VFYSUWWWZNRVAN-KRWDZBQOSA-N 2 1 276.424 2.320 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCOCCc1ccccc1 ZINC000430563285 263280358 /nfs/dbraw/zinc/28/03/58/263280358.db2.gz VFYSUWWWZNRVAN-KRWDZBQOSA-N 2 1 276.424 2.320 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000425413034 264291376 /nfs/dbraw/zinc/29/13/76/264291376.db2.gz ATRGWUBJMGFXSD-BHYGNILZSA-N 2 1 278.440 2.360 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C1CC1 ZINC000425415513 264292925 /nfs/dbraw/zinc/29/29/25/264292925.db2.gz GRHYUFQQWIAGMU-HOCLYGCPSA-N 2 1 266.429 2.075 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CC1 ZINC000425415513 264292926 /nfs/dbraw/zinc/29/29/26/264292926.db2.gz GRHYUFQQWIAGMU-HOCLYGCPSA-N 2 1 266.429 2.075 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CC1 ZINC000425415513 264292927 /nfs/dbraw/zinc/29/29/27/264292927.db2.gz GRHYUFQQWIAGMU-HOCLYGCPSA-N 2 1 266.429 2.075 20 0 CEADMP CC(C)CCOCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397386246 270353251 /nfs/dbraw/zinc/35/32/51/270353251.db2.gz MADRRPHNTUWQMC-KFWWJZLASA-N 2 1 256.434 2.354 20 0 CEADMP COc1ccc(OCCC[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000442791021 265000021 /nfs/dbraw/zinc/00/00/21/265000021.db2.gz MYZYIJVCDLXZIY-ZIAGYGMSSA-N 2 1 278.396 2.133 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C)CCC2CC2)CC1 ZINC000186278324 270249138 /nfs/dbraw/zinc/24/91/38/270249138.db2.gz QQHGPMYVTPNKIJ-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cc(CC[NH2+]C2CC[NH+](C)CC2)cc(C)c1O ZINC000191574940 270273506 /nfs/dbraw/zinc/27/35/06/270273506.db2.gz KTJXMELOVJWIRV-UHFFFAOYSA-N 2 1 262.397 2.235 20 0 CEADMP CC1CCC([N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000227800040 270311888 /nfs/dbraw/zinc/31/18/88/270311888.db2.gz YVOVTTZFQDHAFC-KXIUCKCTSA-N 2 1 290.451 2.428 20 0 CEADMP CC1CCC([N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000227800040 270311890 /nfs/dbraw/zinc/31/18/90/270311890.db2.gz YVOVTTZFQDHAFC-KXIUCKCTSA-N 2 1 290.451 2.428 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236765019 270317338 /nfs/dbraw/zinc/31/73/38/270317338.db2.gz KXYKUPAZBWNXIW-OAHLLOKOSA-N 2 1 275.396 2.219 20 0 CEADMP COC(=O)CC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000260189762 270329967 /nfs/dbraw/zinc/32/99/67/270329967.db2.gz UQMNQUVSYOCEIW-OAHLLOKOSA-N 2 1 282.428 2.136 20 0 CEADMP Cc1ncsc1CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000391218948 270340352 /nfs/dbraw/zinc/34/03/52/270340352.db2.gz YFRQVOLBYNOKAI-CMPLNLGQSA-N 2 1 253.415 2.114 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000395061255 270344303 /nfs/dbraw/zinc/34/43/03/270344303.db2.gz JDHNJWXQQIAIRV-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000396991045 270350419 /nfs/dbraw/zinc/35/04/19/270350419.db2.gz CYTDCQHPGYJRCW-BZSNNMDCSA-N 2 1 290.451 2.428 20 0 CEADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1O ZINC000397399624 270353475 /nfs/dbraw/zinc/35/34/75/270353475.db2.gz IPWIHWJYWVANEC-OBJOEFQTSA-N 2 1 278.396 2.206 20 0 CEADMP C[C@H]1C[C@@H](N[C@H]2CC[NH2+]C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000398096488 270355848 /nfs/dbraw/zinc/35/58/48/270355848.db2.gz KPEARTCZFNXLLH-ATLSCFEFSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)CN1Cc1ccccc1 ZINC000398096488 270355849 /nfs/dbraw/zinc/35/58/49/270355849.db2.gz KPEARTCZFNXLLH-ATLSCFEFSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000398030487 270356148 /nfs/dbraw/zinc/35/61/48/270356148.db2.gz NGTIWYIDNGAXRU-LAQRGFTBSA-N 2 1 287.451 2.380 20 0 CEADMP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000418467125 270378248 /nfs/dbraw/zinc/37/82/48/270378248.db2.gz OPCLVNFCHHTWSD-KFWWJZLASA-N 2 1 298.475 2.018 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422738468 270747742 /nfs/dbraw/zinc/74/77/42/270747742.db2.gz YVLIHFMSXAAFTH-PMPSAXMXSA-N 2 1 267.461 2.371 20 0 CEADMP COc1ccc(OC)c(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422805618 270776558 /nfs/dbraw/zinc/77/65/58/270776558.db2.gz MGZPLNZLLREPNK-SWLSCSKDSA-N 2 1 278.396 2.182 20 0 CEADMP C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000423080005 270829875 /nfs/dbraw/zinc/82/98/75/270829875.db2.gz ZDHIHOXYOUZZIX-DXEWXGHRSA-N 2 1 292.398 2.022 20 0 CEADMP N[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423284966 270888876 /nfs/dbraw/zinc/88/88/76/270888876.db2.gz ZBFJQXDKPKZKBR-MAZHCROVSA-N 2 1 259.397 2.111 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CCCS2 ZINC000423307669 270893468 /nfs/dbraw/zinc/89/34/68/270893468.db2.gz WHNLCWCOOSIGOF-CQSZACIVSA-N 2 1 278.421 2.431 20 0 CEADMP CC[NH2+][C@H](C)CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423385789 270907680 /nfs/dbraw/zinc/90/76/80/270907680.db2.gz KURHYUMZQOTALX-PVAVHDDUSA-N 2 1 275.440 2.410 20 0 CEADMP CN(C)c1cc(NC(=O)[C@H]([NH3+])CC2CCCCC2)cc[nH+]1 ZINC000423442658 270912420 /nfs/dbraw/zinc/91/24/20/270912420.db2.gz VELXJJUZJMUEPV-CQSZACIVSA-N 2 1 290.411 2.384 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000424143532 271022785 /nfs/dbraw/zinc/02/27/85/271022785.db2.gz ZQOBUOOAFKZVKI-GFCCVEGCSA-N 2 1 298.333 2.440 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424288074 271040243 /nfs/dbraw/zinc/04/02/43/271040243.db2.gz KBOXSQAGVKBQMZ-AWEZNQCLSA-N 2 1 282.428 2.184 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CC(=O)NCCC(C)(C)C)CC[NH2+]CC2 ZINC000424293673 271041092 /nfs/dbraw/zinc/04/10/92/271041092.db2.gz PLGMSVDMBZLRDG-AWEZNQCLSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@@H](C)[C@@H]([NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424342098 271049671 /nfs/dbraw/zinc/04/96/71/271049671.db2.gz XBQDFSRMGBXDKT-NXEZZACHSA-N 2 1 252.362 2.234 20 0 CEADMP COc1cc(C)c(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424373769 271050990 /nfs/dbraw/zinc/05/09/90/271050990.db2.gz YHXRYBGFOKPQMB-ZIAGYGMSSA-N 2 1 278.396 2.372 20 0 CEADMP CCN(CCC[NH+](C)C)c1cc[nH+]c(N2CCCCC2)n1 ZINC000425259311 271149238 /nfs/dbraw/zinc/14/92/38/271149238.db2.gz UYKOUPGTEDHHOR-UHFFFAOYSA-N 2 1 291.443 2.245 20 0 CEADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000425364039 271159481 /nfs/dbraw/zinc/15/94/81/271159481.db2.gz YNFBOCSYPTWCKQ-RAIGVLPGSA-N 2 1 253.415 2.311 20 0 CEADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000425364037 271160614 /nfs/dbraw/zinc/16/06/14/271160614.db2.gz YNFBOCSYPTWCKQ-CYZMBNFOSA-N 2 1 253.415 2.311 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1(c2ccccc2)CCCC1 ZINC000428217606 271246858 /nfs/dbraw/zinc/24/68/58/271246858.db2.gz SWEFBMNPCMQXPB-NVXWUHKLSA-N 2 1 290.451 2.399 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H](C)C[NH3+])cc1)C1CC1 ZINC000429334816 271322998 /nfs/dbraw/zinc/32/29/98/271322998.db2.gz QGXKYDBLKFSQGS-CYBMUJFWSA-N 2 1 289.423 2.090 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CC23CCCC3)CC1 ZINC000429443479 271331824 /nfs/dbraw/zinc/33/18/24/271331824.db2.gz DFCZOOSVYXLOGV-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC(C)(C)[NH3+])cc1 ZINC000429655288 271338896 /nfs/dbraw/zinc/33/88/96/271338896.db2.gz WXZOJPDUJRXIPS-UHFFFAOYSA-N 2 1 291.439 2.386 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430539398 271387031 /nfs/dbraw/zinc/38/70/31/271387031.db2.gz DQJUNBQNZKRHMZ-XHSDSOJGSA-N 2 1 297.487 2.471 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430539398 271387034 /nfs/dbraw/zinc/38/70/34/271387034.db2.gz DQJUNBQNZKRHMZ-XHSDSOJGSA-N 2 1 297.487 2.471 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCN(C)c1ccccc1 ZINC000430549618 271388739 /nfs/dbraw/zinc/38/87/39/271388739.db2.gz FBHXMKMCGQBPIZ-INIZCTEOSA-N 2 1 263.429 2.428 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000430563809 271390808 /nfs/dbraw/zinc/39/08/08/271390808.db2.gz KDUYNPHNMGGUIK-BHDPWAOGSA-N 2 1 297.487 2.375 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000430563809 271390812 /nfs/dbraw/zinc/39/08/12/271390812.db2.gz KDUYNPHNMGGUIK-BHDPWAOGSA-N 2 1 297.487 2.375 20 0 CEADMP C[C@](C[NH3+])([NH2+]CCSc1ccccc1)C1CC1 ZINC000430566489 271391553 /nfs/dbraw/zinc/39/15/53/271391553.db2.gz BZFRGULBNCRPMV-CQSZACIVSA-N 2 1 250.411 2.496 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)CC2CCCCC2)C1 ZINC000430580785 271394750 /nfs/dbraw/zinc/39/47/50/271394750.db2.gz SMLQGZXUEZMNBD-GDBMZVCRSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)CC2CCCCC2)C1 ZINC000430580785 271394753 /nfs/dbraw/zinc/39/47/53/271394753.db2.gz SMLQGZXUEZMNBD-GDBMZVCRSA-N 2 1 295.471 2.084 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430583828 271394980 /nfs/dbraw/zinc/39/49/80/271394980.db2.gz NMBCIFMJXTYOIK-UONOGXRCSA-N 2 1 283.460 2.083 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430583828 271394982 /nfs/dbraw/zinc/39/49/82/271394982.db2.gz NMBCIFMJXTYOIK-UONOGXRCSA-N 2 1 283.460 2.083 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000334883258 274151327 /nfs/dbraw/zinc/15/13/27/274151327.db2.gz TWTSYSLTLVNYER-HUUCEWRRSA-N 2 1 288.435 2.484 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)c2ccccc21 ZINC000358250242 274313161 /nfs/dbraw/zinc/31/31/61/274313161.db2.gz LERNNWZEFAHYLP-KBRIMQKVSA-N 2 1 274.408 2.281 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)c2ccccc21 ZINC000358250242 274313162 /nfs/dbraw/zinc/31/31/62/274313162.db2.gz LERNNWZEFAHYLP-KBRIMQKVSA-N 2 1 274.408 2.281 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414353975 274335908 /nfs/dbraw/zinc/33/59/08/274335908.db2.gz WOIJPLUFYPZGSW-FRFSOERESA-N 2 1 291.414 2.334 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414353975 274335909 /nfs/dbraw/zinc/33/59/09/274335909.db2.gz WOIJPLUFYPZGSW-FRFSOERESA-N 2 1 291.414 2.334 20 0 CEADMP CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000275325817 275716363 /nfs/dbraw/zinc/71/63/63/275716363.db2.gz PVMIGUHBZUGAFR-CZUORRHYSA-N 2 1 277.412 2.298 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+]C1CC[NH+](C)CC1)CC2 ZINC000336291248 275793993 /nfs/dbraw/zinc/79/39/93/275793993.db2.gz SPELTCCWJHAAAX-OAHLLOKOSA-N 2 1 276.428 2.005 20 0 CEADMP CC1=C[C@H](C)C[C@@H](C[NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000356427344 276185228 /nfs/dbraw/zinc/18/52/28/276185228.db2.gz PBUWFHWUBSHYQB-GOEBONIOSA-N 2 1 280.456 2.415 20 0 CEADMP CCC1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000252513485 276222486 /nfs/dbraw/zinc/22/24/86/276222486.db2.gz TWDYQAXQDWPMGU-CKUJCDMFSA-N 2 1 266.429 2.408 20 0 CEADMP CCC1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000252513485 276222487 /nfs/dbraw/zinc/22/24/87/276222487.db2.gz TWDYQAXQDWPMGU-CKUJCDMFSA-N 2 1 266.429 2.408 20 0 CEADMP CCCCC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351541664 276229260 /nfs/dbraw/zinc/22/92/60/276229260.db2.gz XOULSAZRFBKOEE-JKSUJKDBSA-N 2 1 268.445 2.486 20 0 CEADMP CCCCC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351541664 276229262 /nfs/dbraw/zinc/22/92/62/276229262.db2.gz XOULSAZRFBKOEE-JKSUJKDBSA-N 2 1 268.445 2.486 20 0 CEADMP CCCCC[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351541664 276229264 /nfs/dbraw/zinc/22/92/64/276229264.db2.gz XOULSAZRFBKOEE-JKSUJKDBSA-N 2 1 268.445 2.486 20 0 CEADMP CCCCC[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351541664 276229265 /nfs/dbraw/zinc/22/92/65/276229265.db2.gz XOULSAZRFBKOEE-JKSUJKDBSA-N 2 1 268.445 2.486 20 0 CEADMP CCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336788034 276273841 /nfs/dbraw/zinc/27/38/41/276273841.db2.gz GHNUUHZUACCKKS-CABCVRRESA-N 2 1 254.418 2.096 20 0 CEADMP CCC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336788034 276273842 /nfs/dbraw/zinc/27/38/42/276273842.db2.gz GHNUUHZUACCKKS-CABCVRRESA-N 2 1 254.418 2.096 20 0 CEADMP CCC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336788034 276273844 /nfs/dbraw/zinc/27/38/44/276273844.db2.gz GHNUUHZUACCKKS-CABCVRRESA-N 2 1 254.418 2.096 20 0 CEADMP CCC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336788034 276273845 /nfs/dbraw/zinc/27/38/45/276273845.db2.gz GHNUUHZUACCKKS-CABCVRRESA-N 2 1 254.418 2.096 20 0 CEADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367613144 276306494 /nfs/dbraw/zinc/30/64/94/276306494.db2.gz FJRBAZNTRDLQFL-BFHYXJOUSA-N 2 1 254.418 2.264 20 0 CEADMP CCOC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000353929757 276334189 /nfs/dbraw/zinc/33/41/89/276334189.db2.gz FLGVJRCZENLHIE-CZUORRHYSA-N 2 1 266.429 2.408 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000246796137 276352819 /nfs/dbraw/zinc/35/28/19/276352819.db2.gz IBVSFFIGVFUFAT-VNQPRFMTSA-N 2 1 278.440 2.408 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000372069136 276892227 /nfs/dbraw/zinc/89/22/27/276892227.db2.gz WMZQJWISTRQNGX-IRXDYDNUSA-N 2 1 289.423 2.442 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000353942521 277048277 /nfs/dbraw/zinc/04/82/77/277048277.db2.gz GGSOGZUGZNSLBU-CQSZACIVSA-N 2 1 284.444 2.430 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](C2CCOCC2)C1 ZINC000336798448 277078565 /nfs/dbraw/zinc/07/85/65/277078565.db2.gz DYOWPERBNSPPCZ-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000336798448 277078566 /nfs/dbraw/zinc/07/85/66/277078566.db2.gz DYOWPERBNSPPCZ-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000336798448 277078567 /nfs/dbraw/zinc/07/85/67/277078567.db2.gz DYOWPERBNSPPCZ-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CCC1 ZINC000378546263 277187988 /nfs/dbraw/zinc/18/79/88/277187988.db2.gz PXUUXQMQCMKJRI-BZUAXINKSA-N 2 1 296.455 2.035 20 0 CEADMP CO[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000178456951 277281247 /nfs/dbraw/zinc/28/12/47/277281247.db2.gz RGQJKTOYRVWJMT-KBMXLJTQSA-N 2 1 262.397 2.446 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000336787244 277312109 /nfs/dbraw/zinc/31/21/09/277312109.db2.gz DOSMVHUBGLKUDE-UONOGXRCSA-N 2 1 252.402 2.016 20 0 CEADMP CC(C)CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374419371 277354727 /nfs/dbraw/zinc/35/47/27/277354727.db2.gz HBKGWGPFAXBZRR-SOUVJXGZSA-N 2 1 254.418 2.216 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000249154200 277396870 /nfs/dbraw/zinc/39/68/70/277396870.db2.gz VYRLSIZZLREDQY-BZUAXINKSA-N 2 1 268.445 2.369 20 0 CEADMP CC(C)[C@H](C[NH2+]C[C@H]1CCCOC1)[NH+]1CCCC1 ZINC000111318095 277897407 /nfs/dbraw/zinc/89/74/07/277897407.db2.gz HGHLASLNGIWZBV-CABCVRRESA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CC[NH2+]1 ZINC000414705574 278011145 /nfs/dbraw/zinc/01/11/45/278011145.db2.gz KQCJMRHEJJXSDD-KLHDSHLOSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)CC[N@H+]1C ZINC000361810515 278025162 /nfs/dbraw/zinc/02/51/62/278025162.db2.gz FJDZOYXURCAZBF-ZIAGYGMSSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc[nH]c(=O)c1 ZINC000344142339 278335366 /nfs/dbraw/zinc/33/53/66/278335366.db2.gz VBXVICASGSPJAV-LLVKDONJSA-N 2 1 261.369 2.065 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C1(C(=O)OC)CCC1 ZINC000353546393 288049421 /nfs/dbraw/zinc/04/94/21/288049421.db2.gz VYNWREZNWRHVBX-KGLIPLIRSA-N 2 1 282.428 2.040 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC000336817997 279124788 /nfs/dbraw/zinc/12/47/88/279124788.db2.gz SSJDFUGLXZUENQ-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP C[C@@]1(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)CC[NH2+]C1 ZINC000088432526 279159092 /nfs/dbraw/zinc/15/90/92/279159092.db2.gz GMUVHHSWFREJIP-WDEREUQCSA-N 2 1 250.308 2.260 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@H](C(F)(F)F)C2)CC[NH2+]C1 ZINC000088432526 279159093 /nfs/dbraw/zinc/15/90/93/279159093.db2.gz GMUVHHSWFREJIP-WDEREUQCSA-N 2 1 250.308 2.260 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000252780104 279283200 /nfs/dbraw/zinc/28/32/00/279283200.db2.gz QILNTDJMVLTCKG-LSDHHAIUSA-N 2 1 289.423 2.097 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000252780104 279283202 /nfs/dbraw/zinc/28/32/02/279283202.db2.gz QILNTDJMVLTCKG-LSDHHAIUSA-N 2 1 289.423 2.097 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCc2c1cnn2C)C[NH+]1CCCC1 ZINC000062078318 279352666 /nfs/dbraw/zinc/35/26/66/279352666.db2.gz OVQKMSQXFAKGGP-HIFRSBDPSA-N 2 1 276.428 2.119 20 0 CEADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000367530930 279390751 /nfs/dbraw/zinc/39/07/51/279390751.db2.gz KJLKQIHEFYHYSY-BYNSBNAKSA-N 2 1 272.408 2.214 20 0 CEADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)OC[C@H]2C)[C@H](C)CO1 ZINC000247075200 288159029 /nfs/dbraw/zinc/15/90/29/288159029.db2.gz SLTKHKDAMSUUCJ-VQHPVUNQSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)OC[C@H]2C)[C@H](C)CO1 ZINC000247075200 288159031 /nfs/dbraw/zinc/15/90/31/288159031.db2.gz SLTKHKDAMSUUCJ-VQHPVUNQSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)OC[C@H]2C)[C@H](C)CO1 ZINC000247075200 288159032 /nfs/dbraw/zinc/15/90/32/288159032.db2.gz SLTKHKDAMSUUCJ-VQHPVUNQSA-N 2 1 298.471 2.375 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000353929753 279735251 /nfs/dbraw/zinc/73/52/51/279735251.db2.gz FLGVJRCZENLHIE-BBRMVZONSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@@]1(C)C[N@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000135745790 280054239 /nfs/dbraw/zinc/05/42/39/280054239.db2.gz PKCSGANDHYYXTI-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP CC[C@@]1(C)C[N@@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000135745790 280054242 /nfs/dbraw/zinc/05/42/42/280054242.db2.gz PKCSGANDHYYXTI-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000358384243 280083772 /nfs/dbraw/zinc/08/37/72/280083772.db2.gz PQGFTOYSPWUNFL-FPCVCCKLSA-N 2 1 268.445 2.367 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000183175628 280112422 /nfs/dbraw/zinc/11/24/22/280112422.db2.gz CVQNHBFXMQBQMN-KGLIPLIRSA-N 2 1 299.459 2.364 20 0 CEADMP CC(C)[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000106460181 280169240 /nfs/dbraw/zinc/16/92/40/280169240.db2.gz MCGXQCOGJLBSMY-LSDHHAIUSA-N 2 1 297.487 2.199 20 0 CEADMP C[C@H]1C[N@H+](CCn2ccnc2)C[C@@H](c2ccccc2)O1 ZINC000246533625 280299789 /nfs/dbraw/zinc/29/97/89/280299789.db2.gz JYEUKHSMZDYXPB-HOCLYGCPSA-N 2 1 271.364 2.345 20 0 CEADMP C[C@H]1C[N@@H+](CCn2ccnc2)C[C@@H](c2ccccc2)O1 ZINC000246533625 280299791 /nfs/dbraw/zinc/29/97/91/280299791.db2.gz JYEUKHSMZDYXPB-HOCLYGCPSA-N 2 1 271.364 2.345 20 0 CEADMP C[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](C)C3)COC2)C1 ZINC000246717739 280307594 /nfs/dbraw/zinc/30/75/94/280307594.db2.gz LMHUGLHCDMQDJQ-HZPDHXFCSA-N 2 1 280.456 2.467 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccnn1C ZINC000248830199 280366720 /nfs/dbraw/zinc/36/67/20/280366720.db2.gz HDTNEFBDWSJFFB-QLFBSQMISA-N 2 1 278.444 2.439 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccnn1C ZINC000248830199 280366721 /nfs/dbraw/zinc/36/67/21/280366721.db2.gz HDTNEFBDWSJFFB-QLFBSQMISA-N 2 1 278.444 2.439 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@H]1CCOC[C@H]1C)[NH+](C)C ZINC000249083799 280383113 /nfs/dbraw/zinc/38/31/13/280383113.db2.gz ICJMDFGCYRHSQP-SNPRPXQTSA-N 2 1 256.434 2.367 20 0 CEADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422969961 280978149 /nfs/dbraw/zinc/97/81/49/280978149.db2.gz VKNFRPDCOVATPT-GIPNMCIBSA-N 2 1 251.374 2.125 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000423045797 281007374 /nfs/dbraw/zinc/00/73/74/281007374.db2.gz COSUPUBAYADZQX-UWVGGRQHSA-N 2 1 280.803 2.442 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@H](c1ccccc1)N(C)C ZINC000423052654 281011950 /nfs/dbraw/zinc/01/19/50/281011950.db2.gz QFWLWIJZOJQTBO-TTZDDIAXSA-N 2 1 263.429 2.393 20 0 CEADMP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423052937 281012064 /nfs/dbraw/zinc/01/20/64/281012064.db2.gz RKEWLZXQVCTRHZ-MNOVXSKESA-N 2 1 264.417 2.205 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423402072 281028817 /nfs/dbraw/zinc/02/88/17/281028817.db2.gz YEFTWHCXGPVFIW-KBXIAJHMSA-N 2 1 267.461 2.083 20 0 CEADMP COc1ncc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1Cl ZINC000423406496 281031910 /nfs/dbraw/zinc/03/19/10/281031910.db2.gz UTEZAPXQABOFOX-NRUUGDAUSA-N 2 1 283.803 2.392 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423426717 281038675 /nfs/dbraw/zinc/03/86/75/281038675.db2.gz HVYNNMOQNXFUGR-HOTGVXAUSA-N 2 1 295.471 2.084 20 0 CEADMP CC[C@H]([NH3+])CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423440094 281043619 /nfs/dbraw/zinc/04/36/19/281043619.db2.gz ALMKXNLHJXFWJD-UAGQMJEPSA-N 2 1 275.440 2.224 20 0 CEADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423475679 281051967 /nfs/dbraw/zinc/05/19/67/281051967.db2.gz RUINJAKJMXAOBJ-ZDMBXUJBSA-N 2 1 252.333 2.147 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc2c(s1)CCC2 ZINC000423496077 281055435 /nfs/dbraw/zinc/05/54/35/281055435.db2.gz WBEDTUQIVCBTKY-YPMHNXCESA-N 2 1 280.437 2.266 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c(C)s1 ZINC000423512766 281057837 /nfs/dbraw/zinc/05/78/37/281057837.db2.gz KZQPJACFMUYHPL-AAEUAGOBSA-N 2 1 268.426 2.394 20 0 CEADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423516048 281060699 /nfs/dbraw/zinc/06/06/99/281060699.db2.gz NISIFQKHPRKQME-BBRMVZONSA-N 2 1 262.397 2.278 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000423770184 281088223 /nfs/dbraw/zinc/08/82/23/281088223.db2.gz ZPSKYQCKDMYRDW-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP COC(=O)CC1CC([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000424266637 281141205 /nfs/dbraw/zinc/14/12/05/281141205.db2.gz LENJQKIVLBDZEX-NFOMZHRRSA-N 2 1 296.455 2.428 20 0 CEADMP COC(=O)CC1CC([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000424266637 281141207 /nfs/dbraw/zinc/14/12/07/281141207.db2.gz LENJQKIVLBDZEX-NFOMZHRRSA-N 2 1 296.455 2.428 20 0 CEADMP C[NH2+]CCC1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424301958 281144420 /nfs/dbraw/zinc/14/44/20/281144420.db2.gz LMDBLPPIAUMYCG-MRXNPFEDSA-N 2 1 293.430 2.190 20 0 CEADMP C[NH2+]CCC1CC[NH+](C[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000424301958 281144422 /nfs/dbraw/zinc/14/44/22/281144422.db2.gz LMDBLPPIAUMYCG-MRXNPFEDSA-N 2 1 293.430 2.190 20 0 CEADMP Cc1ccc2[nH+]ccc(N3CC[N@@H+](CCO)[C@@H](C)C3)c2c1 ZINC000302425342 281169545 /nfs/dbraw/zinc/16/95/45/281169545.db2.gz NOTZKOVMIVRXRY-AWEZNQCLSA-N 2 1 285.391 2.046 20 0 CEADMP CC[C@]1(CO)CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000426454722 281194211 /nfs/dbraw/zinc/19/42/11/281194211.db2.gz AQKIRHZBCBCODI-HNNXBMFYSA-N 2 1 265.401 2.066 20 0 CEADMP CC[C@]1(CO)CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000426454722 281194214 /nfs/dbraw/zinc/19/42/14/281194214.db2.gz AQKIRHZBCBCODI-HNNXBMFYSA-N 2 1 265.401 2.066 20 0 CEADMP CC[C@]1(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC[NH2+]C1 ZINC000363534232 281301645 /nfs/dbraw/zinc/30/16/45/281301645.db2.gz LVBDIRYGHMOPLF-RDJZCZTQSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@H]1CCC[N@@H+](CCNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431748531 281316740 /nfs/dbraw/zinc/31/67/40/281316740.db2.gz HFDDMKPIBUMYQT-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCC[NH+](CCNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000431748531 281316745 /nfs/dbraw/zinc/31/67/45/281316745.db2.gz HFDDMKPIBUMYQT-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCC[NH+](CCNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000431748531 281316747 /nfs/dbraw/zinc/31/67/47/281316747.db2.gz HFDDMKPIBUMYQT-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP O[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C12CCCC2 ZINC000433296992 281380669 /nfs/dbraw/zinc/38/06/69/281380669.db2.gz JZSDFVGHMIKMFM-HNNXBMFYSA-N 2 1 266.429 2.242 20 0 CEADMP CC1CCN(CC[NH+]2CCC(CC[NH+](C)C)CC2)CC1 ZINC000153969450 289129358 /nfs/dbraw/zinc/12/93/58/289129358.db2.gz DHHQVQMQXLKNKW-UHFFFAOYSA-N 2 1 281.488 2.382 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]CCCCN2CC[NH+](C)CC2)o1 ZINC000154434507 289145265 /nfs/dbraw/zinc/14/52/65/289145265.db2.gz KXVKLDGGCTYALS-HNNXBMFYSA-N 2 1 279.428 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN(C)CC(F)(F)F ZINC000156378081 289194692 /nfs/dbraw/zinc/19/46/92/289194692.db2.gz QKAIMAQYLIKSFI-JHJVBQTASA-N 2 1 295.393 2.189 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000414847550 289938449 /nfs/dbraw/zinc/93/84/49/289938449.db2.gz FUIDSRNZOZVCPB-KBPBESRZSA-N 3 1 267.461 2.227 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CCn2cc(Cl)cn2)C[C@H]1C ZINC000459361587 290126521 /nfs/dbraw/zinc/12/65/21/290126521.db2.gz PJWFZMLCPHVANG-OCCSQVGLSA-N 2 1 284.835 2.341 20 0 CEADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459423644 290143735 /nfs/dbraw/zinc/14/37/35/290143735.db2.gz KENMKSSKDVVPJP-CJNGLKHVSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459423660 290143914 /nfs/dbraw/zinc/14/39/14/290143914.db2.gz KENMKSSKDVVPJP-XJKSGUPXSA-N 2 1 266.429 2.264 20 0 CEADMP CO[C@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C12CCC2 ZINC000459724357 290218555 /nfs/dbraw/zinc/21/85/55/290218555.db2.gz APRFFQXLOKTYLP-GJZGRUSLSA-N 2 1 275.396 2.195 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOCC(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000353424213 290219260 /nfs/dbraw/zinc/21/92/60/290219260.db2.gz SHMFNOAEJCQRQD-WOPDTQHZSA-N 2 1 280.334 2.028 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459766724 290232246 /nfs/dbraw/zinc/23/22/46/290232246.db2.gz MGLVXIUZHYFTII-CABCVRRESA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459766724 290232247 /nfs/dbraw/zinc/23/22/47/290232247.db2.gz MGLVXIUZHYFTII-CABCVRRESA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000459776071 290235816 /nfs/dbraw/zinc/23/58/16/290235816.db2.gz KAQIEUDBLOUSAY-JHJVBQTASA-N 2 1 294.361 2.418 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](OC)C2)[C@@H](C)C1 ZINC000471784506 290282584 /nfs/dbraw/zinc/28/25/84/290282584.db2.gz AHNFJCZCCUORRH-YVSFHVDLSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000300521791 290386956 /nfs/dbraw/zinc/38/69/56/290386956.db2.gz RVCQEPKFDOTORH-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP COC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000126529929 293147083 /nfs/dbraw/zinc/14/70/83/293147083.db2.gz ZFZGRSXIBZTPAX-DKUMPPAJSA-N 2 1 252.402 2.016 20 0 CEADMP COC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000126529929 293147086 /nfs/dbraw/zinc/14/70/86/293147086.db2.gz ZFZGRSXIBZTPAX-DKUMPPAJSA-N 2 1 252.402 2.016 20 0 CEADMP [NH3+]CCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000414758880 295229884 /nfs/dbraw/zinc/22/98/84/295229884.db2.gz DHQRXMRMBZQOIN-SNVBAGLBSA-N 2 1 250.308 2.390 20 0 CEADMP [NH3+]CCN1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000263018379 295233120 /nfs/dbraw/zinc/23/31/20/295233120.db2.gz QPDZHJDNHJVORY-UHFFFAOYSA-N 2 1 287.451 2.466 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCc4ccc(F)cc43)C[C@@H]12 ZINC000351496718 295321206 /nfs/dbraw/zinc/32/12/06/295321206.db2.gz SADHVUBFGVFMBX-RAEVTNRLSA-N 2 1 260.356 2.482 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](CCO)[C@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414705216 297248902 /nfs/dbraw/zinc/24/89/02/297248902.db2.gz WRWUOANRGPZDMP-VKJFTORMSA-N 2 1 288.435 2.356 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000414716561 297251795 /nfs/dbraw/zinc/25/17/95/297251795.db2.gz WWYBILGDQZMMPL-IXDOHACOSA-N 3 1 279.472 2.325 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351521521 297311892 /nfs/dbraw/zinc/31/18/92/297311892.db2.gz VCAWEBHTYOLWTO-CLWVCHIJSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351521521 297311894 /nfs/dbraw/zinc/31/18/94/297311894.db2.gz VCAWEBHTYOLWTO-CLWVCHIJSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351521521 297311896 /nfs/dbraw/zinc/31/18/96/297311896.db2.gz VCAWEBHTYOLWTO-CLWVCHIJSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351521521 297311898 /nfs/dbraw/zinc/31/18/98/297311898.db2.gz VCAWEBHTYOLWTO-CLWVCHIJSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2c2ccnn2C)CC[NH2+]1 ZINC000414761320 297399473 /nfs/dbraw/zinc/39/94/73/297399473.db2.gz ITLNYPZGGBAHLJ-FMKPAKJESA-N 2 1 276.428 2.335 20 0 CEADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC(C)(C)C)CC1 ZINC000516207889 297589922 /nfs/dbraw/zinc/58/99/22/297589922.db2.gz YVDDRWXEJZEWOQ-UHFFFAOYSA-N 2 1 290.411 2.208 20 0 CEADMP c1cc2[nH+]ccc(N[C@H]3CC[NH2+]C34CCC4)c2s1 ZINC000530174825 298044623 /nfs/dbraw/zinc/04/46/23/298044623.db2.gz BUXHOXXGBZKBJL-LBPRGKRZSA-N 2 1 259.378 2.415 20 0 CEADMP c1ccc([C@H]2C[C@H]([NH2+]CC34CC(C3)CO4)CC[NH2+]2)cc1 ZINC000530223378 298056303 /nfs/dbraw/zinc/05/63/03/298056303.db2.gz UTRPLGVYHSRKJZ-JCUPBUFNSA-N 2 1 272.392 2.248 20 0 CEADMP C[C@@H](O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000539060608 298244531 /nfs/dbraw/zinc/24/45/31/298244531.db2.gz VBBSBODXCNYQFY-INMHGKMJSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000539060608 298244534 /nfs/dbraw/zinc/24/45/34/298244534.db2.gz VBBSBODXCNYQFY-INMHGKMJSA-N 2 1 276.424 2.400 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000545212336 298330482 /nfs/dbraw/zinc/33/04/82/298330482.db2.gz PPCVUYBAUUMEEE-AWEZNQCLSA-N 2 1 264.417 2.204 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000545212336 298330483 /nfs/dbraw/zinc/33/04/83/298330483.db2.gz PPCVUYBAUUMEEE-AWEZNQCLSA-N 2 1 264.417 2.204 20 0 CEADMP CN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000546016098 298345243 /nfs/dbraw/zinc/34/52/43/298345243.db2.gz PYDCGRSICSCGHN-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000336791320 298390534 /nfs/dbraw/zinc/39/05/34/298390534.db2.gz NBHSMYVZLDUROF-CABCVRRESA-N 3 1 255.450 2.358 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000566555929 299002305 /nfs/dbraw/zinc/00/23/05/299002305.db2.gz AVDNFAYWLTXFDP-QZTJIDSGSA-N 2 1 290.451 2.300 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000566620169 299008980 /nfs/dbraw/zinc/00/89/80/299008980.db2.gz QDWGXPVMDKINKW-UHFFFAOYSA-N 3 1 261.413 2.109 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)N(C1CC1)C1CCCC1 ZINC000352503268 303389493 /nfs/dbraw/zinc/38/94/93/303389493.db2.gz DHWAAALBZLZVSZ-CQSZACIVSA-N 2 1 293.455 2.123 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)N(C1CC1)C1CCCC1 ZINC000352503268 303389494 /nfs/dbraw/zinc/38/94/94/303389494.db2.gz DHWAAALBZLZVSZ-CQSZACIVSA-N 2 1 293.455 2.123 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]CCOCC(F)F)c2ccccc21 ZINC000236306381 303475785 /nfs/dbraw/zinc/47/57/85/303475785.db2.gz BIJHSAKHWDAYPS-NEPJUHHUSA-N 2 1 256.296 2.003 20 0 CEADMP COC1([C@H](C)[NH2+]CCc2c[nH+]cn2C)CCCCC1 ZINC000515632797 313074751 /nfs/dbraw/zinc/07/47/51/313074751.db2.gz YEQOLTDDKBYSBE-ZDUSSCGKSA-N 2 1 265.401 2.290 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccn2)c2ccccc21 ZINC000516450519 313089370 /nfs/dbraw/zinc/08/93/70/313089370.db2.gz YJRKHZHMZNWORL-CABCVRRESA-N 2 1 296.374 2.145 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000517172502 313105239 /nfs/dbraw/zinc/10/52/39/313105239.db2.gz XLSMMGJVPRTMEB-KFWWJZLASA-N 2 1 277.412 2.146 20 0 CEADMP COC[C@H](C)C[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000526119406 313157037 /nfs/dbraw/zinc/15/70/37/313157037.db2.gz ABUBEPXNMMAETH-OAHLLOKOSA-N 2 1 298.471 2.282 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccnc(C)c2)C1 ZINC000527535722 313181793 /nfs/dbraw/zinc/18/17/93/313181793.db2.gz SKFIRNORUQANLV-KRWDZBQOSA-N 2 1 291.439 2.323 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)COc3ccccc3O2)CC[N@H+]1C ZINC000527938874 313217494 /nfs/dbraw/zinc/21/74/94/313217494.db2.gz YXCHYULZXHVJHA-CKEIUWERSA-N 2 1 290.407 2.289 20 0 CEADMP Cc1cnccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000530225636 313285056 /nfs/dbraw/zinc/28/50/56/313285056.db2.gz UYAGEWKANWEEBC-HOCLYGCPSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000532736542 313357000 /nfs/dbraw/zinc/35/70/00/313357000.db2.gz KPWQCKISAVPYTM-VXGBXAGGSA-N 2 1 253.415 2.407 20 0 CEADMP CC1CCC([NH2+]CC2([NH+](C)C)CCOCC2)CC1 ZINC000553473966 313621670 /nfs/dbraw/zinc/62/16/70/313621670.db2.gz NJFROLHNMAZDPV-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+](CCc1cccc(F)c1)C[C@@H](O)C[NH+](C)CC ZINC000569822195 314017074 /nfs/dbraw/zinc/01/70/74/314017074.db2.gz JTIVOBRYNIDIHA-KRWDZBQOSA-N 2 1 296.430 2.393 20 0 CEADMP CCC[N@@H+](CCc1cccc(F)c1)C[C@@H](O)C[NH+](C)CC ZINC000569822195 314017077 /nfs/dbraw/zinc/01/70/77/314017077.db2.gz JTIVOBRYNIDIHA-KRWDZBQOSA-N 2 1 296.430 2.393 20 0 CEADMP CCC[NH+](CCc1cccc(F)c1)C[C@@H](O)C[N@H+](C)CC ZINC000569822195 314017080 /nfs/dbraw/zinc/01/70/80/314017080.db2.gz JTIVOBRYNIDIHA-KRWDZBQOSA-N 2 1 296.430 2.393 20 0 CEADMP CCC[NH+](CCc1cccc(F)c1)C[C@@H](O)C[N@@H+](C)CC ZINC000569822195 314017082 /nfs/dbraw/zinc/01/70/82/314017082.db2.gz JTIVOBRYNIDIHA-KRWDZBQOSA-N 2 1 296.430 2.393 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(-n2cccn2)c1)C1CCCC1 ZINC000571770140 314104786 /nfs/dbraw/zinc/10/47/86/314104786.db2.gz LAUUCXIMAAGRNI-QGZVFWFLSA-N 2 1 284.407 2.479 20 0 CEADMP Cc1nnsc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000571925356 314111737 /nfs/dbraw/zinc/11/17/37/314111737.db2.gz AIQFVEUOZRQCAF-UHFFFAOYSA-N 2 1 280.441 2.154 20 0 CEADMP C[C@H](O)C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000573426343 314156475 /nfs/dbraw/zinc/15/64/75/314156475.db2.gz PTLJDXYTPJCNRA-GJZGRUSLSA-N 2 1 276.424 2.389 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@@H](C)O ZINC000574151943 314190970 /nfs/dbraw/zinc/19/09/70/314190970.db2.gz XXQQTKJOEXAXJA-ZIAGYGMSSA-N 2 1 264.413 2.386 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000576339835 314265240 /nfs/dbraw/zinc/26/52/40/314265240.db2.gz YCKHCDLBLIOJCC-XGUBFFRZSA-N 2 1 256.434 2.103 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000576715156 314304600 /nfs/dbraw/zinc/30/46/00/314304600.db2.gz IXEHUUXOIGNHNW-RDJZCZTQSA-N 2 1 294.439 2.009 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000576715156 314304602 /nfs/dbraw/zinc/30/46/02/314304602.db2.gz IXEHUUXOIGNHNW-RDJZCZTQSA-N 2 1 294.439 2.009 20 0 CEADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000577470806 314380403 /nfs/dbraw/zinc/38/04/03/314380403.db2.gz NTJZEFLOBHMJAX-STQMWFEESA-N 2 1 272.396 2.226 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1CCC(OC2CCCCC2)CC1 ZINC000580446582 322318486 /nfs/dbraw/zinc/31/84/86/322318486.db2.gz PSTSCVPZZLRPSJ-OAHLLOKOSA-N 2 1 298.471 2.113 20 0 CEADMP CCN(C)C[C@@H](O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000580446582 322318488 /nfs/dbraw/zinc/31/84/88/322318488.db2.gz PSTSCVPZZLRPSJ-OAHLLOKOSA-N 2 1 298.471 2.113 20 0 CEADMP COc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000580639972 322331883 /nfs/dbraw/zinc/33/18/83/322331883.db2.gz ZVPOBYLNFAKSID-CMPLNLGQSA-N 2 1 283.803 2.221 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000581126260 322370863 /nfs/dbraw/zinc/37/08/63/322370863.db2.gz AAAYOYGLXYXUEZ-RHSMWYFYSA-N 2 1 287.407 2.336 20 0 CEADMP CN(CCC[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000581307580 322385596 /nfs/dbraw/zinc/38/55/96/322385596.db2.gz VPSOFBMAEULSLE-MRXNPFEDSA-N 2 1 275.440 2.396 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1CCC[NH+](C)C1 ZINC000581374861 322391320 /nfs/dbraw/zinc/39/13/20/322391320.db2.gz FFSVNKPMBCSLFL-MRXNPFEDSA-N 3 1 287.451 2.106 20 0 CEADMP C[NH+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1CCC[N@H+](C)C1 ZINC000581374861 322391322 /nfs/dbraw/zinc/39/13/22/322391322.db2.gz FFSVNKPMBCSLFL-MRXNPFEDSA-N 3 1 287.451 2.106 20 0 CEADMP C[NH+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000581374861 322391323 /nfs/dbraw/zinc/39/13/23/322391323.db2.gz FFSVNKPMBCSLFL-MRXNPFEDSA-N 3 1 287.451 2.106 20 0 CEADMP CN(Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1CCC[N@H+](C)C1 ZINC000581374861 322391325 /nfs/dbraw/zinc/39/13/25/322391325.db2.gz FFSVNKPMBCSLFL-MRXNPFEDSA-N 2 1 287.451 2.106 20 0 CEADMP CN(Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000581374861 322391326 /nfs/dbraw/zinc/39/13/26/322391326.db2.gz FFSVNKPMBCSLFL-MRXNPFEDSA-N 2 1 287.451 2.106 20 0 CEADMP CN1CCC[C@@H](C[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000581374861 322391327 /nfs/dbraw/zinc/39/13/27/322391327.db2.gz FFSVNKPMBCSLFL-MRXNPFEDSA-N 2 1 287.451 2.106 20 0 CEADMP CN1CCC[C@@H](C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000581374861 322391329 /nfs/dbraw/zinc/39/13/29/322391329.db2.gz FFSVNKPMBCSLFL-MRXNPFEDSA-N 2 1 287.451 2.106 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000583701557 322563160 /nfs/dbraw/zinc/56/31/60/322563160.db2.gz SRQWOSSZHQLIDG-SFHVURJKSA-N 2 1 299.418 2.166 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000414346480 533961106 /nfs/dbraw/zinc/96/11/06/533961106.db2.gz MEIPZDYBSKKOGR-FVQBIDKESA-N 2 1 291.414 2.477 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000414346480 533961113 /nfs/dbraw/zinc/96/11/13/533961113.db2.gz MEIPZDYBSKKOGR-FVQBIDKESA-N 2 1 291.414 2.477 20 0 CEADMP CC(C)CCOCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049267797 519665352 /nfs/dbraw/zinc/66/53/52/519665352.db2.gz RNBUTLJGMFOTOS-YIONKMFJSA-N 2 1 254.418 2.264 20 0 CEADMP CCCCOCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157355757 520762725 /nfs/dbraw/zinc/76/27/25/520762725.db2.gz RPBOZRRHWXZDPA-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP CCCCOCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157355757 520762733 /nfs/dbraw/zinc/76/27/33/520762733.db2.gz RPBOZRRHWXZDPA-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000063165930 521977422 /nfs/dbraw/zinc/97/74/22/521977422.db2.gz OTLADNZEBKWNNX-UHFFFAOYSA-N 2 1 275.352 2.366 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000357066192 534636332 /nfs/dbraw/zinc/63/63/32/534636332.db2.gz BWWYRHJHACPZHD-CQSZACIVSA-N 2 1 282.815 2.322 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000376995954 523585274 /nfs/dbraw/zinc/58/52/74/523585274.db2.gz DQMBTDNUHVVOJG-YESZJQIVSA-N 2 1 298.471 2.140 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)[C@H]2CCC[C@H]21 ZINC000367554971 523988930 /nfs/dbraw/zinc/98/89/30/523988930.db2.gz VQVCIGLZUHMQSP-HYVNUMGLSA-N 2 1 292.398 2.280 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC[NH+](C)C1CCCCC1 ZINC000157430607 524899672 /nfs/dbraw/zinc/89/96/72/524899672.db2.gz XHBZCUDSQUGZQX-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NCC[N@H+](C)C1CCCCC1 ZINC000157430607 524899678 /nfs/dbraw/zinc/89/96/78/524899678.db2.gz XHBZCUDSQUGZQX-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NCC[N@@H+](C)C1CCCCC1 ZINC000157430607 524899689 /nfs/dbraw/zinc/89/96/89/524899689.db2.gz XHBZCUDSQUGZQX-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP c1cnn(CCCCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150769212 526554725 /nfs/dbraw/zinc/55/47/25/526554725.db2.gz WJRVFOWRNQFXJV-QGZVFWFLSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364786283 527411962 /nfs/dbraw/zinc/41/19/62/527411962.db2.gz AWFWSFFUBCCFND-INIZCTEOSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364786283 527411967 /nfs/dbraw/zinc/41/19/67/527411967.db2.gz AWFWSFFUBCCFND-INIZCTEOSA-N 2 1 277.412 2.473 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)NC2CCCC2)[C@H](C)C1 ZINC000175719115 527752055 /nfs/dbraw/zinc/75/20/55/527752055.db2.gz CVZLVGZJFURRCJ-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)NC2CCCC2)[C@H](C)C1 ZINC000175719115 527752060 /nfs/dbraw/zinc/75/20/60/527752060.db2.gz CVZLVGZJFURRCJ-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)NC2CCCC2)[C@H](C)C1 ZINC000175719115 527752064 /nfs/dbraw/zinc/75/20/64/527752064.db2.gz CVZLVGZJFURRCJ-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC2CC2)[C@H](C)C1 ZINC000174779094 527831160 /nfs/dbraw/zinc/83/11/60/527831160.db2.gz DTLZURUWDGSZME-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC2CC2)[C@H](C)C1 ZINC000174779094 527831163 /nfs/dbraw/zinc/83/11/63/527831163.db2.gz DTLZURUWDGSZME-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC2CC2)[C@H](C)C1 ZINC000174779094 527831173 /nfs/dbraw/zinc/83/11/73/527831173.db2.gz DTLZURUWDGSZME-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccnn2C)CC1 ZINC000192646056 527963294 /nfs/dbraw/zinc/96/32/94/527963294.db2.gz AVEFJOUFSMBCBL-ZDUSSCGKSA-N 2 1 264.417 2.191 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)C2(C)CC2)CC1 ZINC000177232165 528994449 /nfs/dbraw/zinc/99/44/49/528994449.db2.gz GTGYWXAQYSLALJ-AWEZNQCLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H]1C[N@@H+](CCOCC[NH3+])CC[C@H]1c1ccccc1 ZINC000357089882 529294691 /nfs/dbraw/zinc/29/46/91/529294691.db2.gz ZRAMORJDOUAGSD-DOTOQJQBSA-N 2 1 276.424 2.477 20 0 CEADMP CC[NH+](CC)CCC[N@H+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000191493449 535502635 /nfs/dbraw/zinc/50/26/35/535502635.db2.gz BCBDCXFRBZQQFI-KRWDZBQOSA-N 2 1 294.439 2.392 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000191493449 535502643 /nfs/dbraw/zinc/50/26/43/535502643.db2.gz BCBDCXFRBZQQFI-KRWDZBQOSA-N 2 1 294.439 2.392 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348080979 538802787 /nfs/dbraw/zinc/80/27/87/538802787.db2.gz HMKCAGFYGSZEJU-SJORKVTESA-N 2 1 279.472 2.182 20 0 CEADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1CCCC1=O ZINC000733297166 574662506 /nfs/dbraw/zinc/66/25/06/574662506.db2.gz MEGLAOTUWDUKIN-UHFFFAOYSA-N 2 1 289.423 2.150 20 0 CEADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1CCCC1=O ZINC000733297166 574662509 /nfs/dbraw/zinc/66/25/09/574662509.db2.gz MEGLAOTUWDUKIN-UHFFFAOYSA-N 2 1 289.423 2.150 20 0 CEADMP CC[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000734058685 574699496 /nfs/dbraw/zinc/69/94/96/574699496.db2.gz XKSMGVIAAICHBS-WMZOPIPTSA-N 2 1 288.435 2.453 20 0 CEADMP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000734058685 574699497 /nfs/dbraw/zinc/69/94/97/574699497.db2.gz XKSMGVIAAICHBS-WMZOPIPTSA-N 2 1 288.435 2.453 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000741703496 574994921 /nfs/dbraw/zinc/99/49/21/574994921.db2.gz BJMIOAKISYRCMK-HZPDHXFCSA-N 2 1 297.487 2.297 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000741703496 574994923 /nfs/dbraw/zinc/99/49/23/574994923.db2.gz BJMIOAKISYRCMK-HZPDHXFCSA-N 2 1 297.487 2.297 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000741703496 574994926 /nfs/dbraw/zinc/99/49/26/574994926.db2.gz BJMIOAKISYRCMK-HZPDHXFCSA-N 2 1 297.487 2.297 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000742370604 575017405 /nfs/dbraw/zinc/01/74/05/575017405.db2.gz DLVZAZDASNATPU-KBMXLJTQSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCCCCCCO)CC[N@@H+]1C ZINC000744405004 575120440 /nfs/dbraw/zinc/12/04/40/575120440.db2.gz IPGHNKIATSZDRQ-GJZGRUSLSA-N 2 1 256.434 2.344 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCCCCCCO)CC[N@H+]1C ZINC000744405004 575120441 /nfs/dbraw/zinc/12/04/41/575120441.db2.gz IPGHNKIATSZDRQ-GJZGRUSLSA-N 2 1 256.434 2.344 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCCCCCCO)CC[NH+]1C ZINC000744405004 575120442 /nfs/dbraw/zinc/12/04/42/575120442.db2.gz IPGHNKIATSZDRQ-GJZGRUSLSA-N 2 1 256.434 2.344 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCCCCO)CC[NH+]1C ZINC000744405004 575120443 /nfs/dbraw/zinc/12/04/43/575120443.db2.gz IPGHNKIATSZDRQ-GJZGRUSLSA-N 2 1 256.434 2.344 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](Nc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000749279423 575212310 /nfs/dbraw/zinc/21/23/10/575212310.db2.gz GCTDYQLSSVNFGB-UONOGXRCSA-N 2 1 289.427 2.362 20 0 CEADMP Clc1c[nH+]ccc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000750015385 575243776 /nfs/dbraw/zinc/24/37/76/575243776.db2.gz XZSPXBVRMLNHLU-CYBMUJFWSA-N 2 1 295.814 2.212 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCCO)C[C@H]1C ZINC000750186072 575253680 /nfs/dbraw/zinc/25/36/80/575253680.db2.gz YDCXKFOOXCOFHN-HUUCEWRRSA-N 2 1 256.434 2.344 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCCO)C[C@H]1C ZINC000750186072 575253682 /nfs/dbraw/zinc/25/36/82/575253682.db2.gz YDCXKFOOXCOFHN-HUUCEWRRSA-N 2 1 256.434 2.344 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCCO)C[C@H]1C ZINC000750186072 575253684 /nfs/dbraw/zinc/25/36/84/575253684.db2.gz YDCXKFOOXCOFHN-HUUCEWRRSA-N 2 1 256.434 2.344 20 0 CEADMP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCC1 ZINC000796340944 629855940 /nfs/dbraw/zinc/85/59/40/629855940.db2.gz RCZLQYUYCMBTQC-SNVBAGLBSA-N 2 1 253.415 2.483 20 0 CEADMP CC(C)C[N@@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC000971719621 614073468 /nfs/dbraw/zinc/07/34/68/614073468.db2.gz KTGSLQAQGUXLBS-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000971719621 614073471 /nfs/dbraw/zinc/07/34/71/614073471.db2.gz KTGSLQAQGUXLBS-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000971719621 614073473 /nfs/dbraw/zinc/07/34/73/614073473.db2.gz KTGSLQAQGUXLBS-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC000960789821 614258573 /nfs/dbraw/zinc/25/85/73/614258573.db2.gz YKHNHOFMGMLCGG-HNNXBMFYSA-N 2 1 295.471 2.192 20 0 CEADMP CCC(CC)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000949796617 614553317 /nfs/dbraw/zinc/55/33/17/614553317.db2.gz LFKGUMPPNBIHFM-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1C[NH+](C(C)C)C1 ZINC000952402500 614616922 /nfs/dbraw/zinc/61/69/22/614616922.db2.gz XMVBROMILJUOHZ-INIZCTEOSA-N 2 1 295.471 2.190 20 0 CEADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1C[NH+](C(C)C)C1 ZINC000952402500 614616924 /nfs/dbraw/zinc/61/69/24/614616924.db2.gz XMVBROMILJUOHZ-INIZCTEOSA-N 2 1 295.471 2.190 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C(C)C ZINC000960662588 614677755 /nfs/dbraw/zinc/67/77/55/614677755.db2.gz CFTUVZWQYPZJGP-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)C(C)C ZINC000960662588 614677757 /nfs/dbraw/zinc/67/77/57/614677757.db2.gz CFTUVZWQYPZJGP-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)C(C)C ZINC000960662588 614677760 /nfs/dbraw/zinc/67/77/60/614677760.db2.gz CFTUVZWQYPZJGP-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](C)CC)CC1 ZINC000948634060 614677794 /nfs/dbraw/zinc/67/77/94/614677794.db2.gz LSYKLZIELQUGFW-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[NH+](C(C)C)CC1(C)C ZINC000977656281 615112605 /nfs/dbraw/zinc/11/26/05/615112605.db2.gz PJLXWQFEZIKNMH-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[N@@H+](C(C)C)CC1(C)C ZINC000977656281 615112607 /nfs/dbraw/zinc/11/26/07/615112607.db2.gz PJLXWQFEZIKNMH-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[N@H+](C(C)C)CC1(C)C ZINC000977656281 615112609 /nfs/dbraw/zinc/11/26/09/615112609.db2.gz PJLXWQFEZIKNMH-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000892446518 625475101 /nfs/dbraw/zinc/47/51/01/625475101.db2.gz JKWNXBJVYZGDSW-UHFFFAOYSA-N 2 1 253.365 2.207 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@]1(C)CC1(F)F ZINC000926703731 625777157 /nfs/dbraw/zinc/77/71/57/625777157.db2.gz FPPFSPOJYYMUSC-HNGCFSAESA-N 2 1 258.356 2.352 20 0 CEADMP C[NH+](CCCCCCO)CC[C@H]1CCCC[N@@H+]1C ZINC000175775998 622862171 /nfs/dbraw/zinc/86/21/71/622862171.db2.gz PAQLGRVWVLVCTM-OAHLLOKOSA-N 2 1 256.434 2.345 20 0 CEADMP C[NH+](CCCCCCO)CC[C@H]1CCCC[N@H+]1C ZINC000175775998 622862173 /nfs/dbraw/zinc/86/21/73/622862173.db2.gz PAQLGRVWVLVCTM-OAHLLOKOSA-N 2 1 256.434 2.345 20 0 CEADMP CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000081409405 622872002 /nfs/dbraw/zinc/87/20/02/622872002.db2.gz VZAMUDJNPMLBLE-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806127885 622936418 /nfs/dbraw/zinc/93/64/18/622936418.db2.gz LCYIGZUBJHFHOP-LBPRGKRZSA-N 2 1 265.788 2.406 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000050247983 623374750 /nfs/dbraw/zinc/37/47/50/623374750.db2.gz HPMMCUYYBNVLOV-LLVKDONJSA-N 2 1 259.328 2.155 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccnc2Cl)C1 ZINC000070170798 623560795 /nfs/dbraw/zinc/56/07/95/623560795.db2.gz CVCCWEPCGMHDSW-LLVKDONJSA-N 2 1 253.777 2.296 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000926191893 623782487 /nfs/dbraw/zinc/78/24/87/623782487.db2.gz BSBZNAMEJSASSY-OZSLIKBDSA-N 2 1 278.440 2.121 20 0 CEADMP Cc1cnc(CC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c(C)c1 ZINC000933734802 623983972 /nfs/dbraw/zinc/98/39/72/623983972.db2.gz WXAJLHMSOCELKA-WBVHZDCISA-N 2 1 273.424 2.124 20 0 CEADMP Cc1cnc(CC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c(C)c1 ZINC000933734802 623983976 /nfs/dbraw/zinc/98/39/76/623983976.db2.gz WXAJLHMSOCELKA-WBVHZDCISA-N 2 1 273.424 2.124 20 0 CEADMP Cc1cnc(CC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c(C)c1 ZINC000933734802 623983983 /nfs/dbraw/zinc/98/39/83/623983983.db2.gz WXAJLHMSOCELKA-WBVHZDCISA-N 2 1 273.424 2.124 20 0 CEADMP Cc1cnc(CC[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c(C)c1 ZINC000933734802 623983987 /nfs/dbraw/zinc/98/39/87/623983987.db2.gz WXAJLHMSOCELKA-WBVHZDCISA-N 2 1 273.424 2.124 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc[nH+]cc2CO)C1 ZINC000891897472 624078260 /nfs/dbraw/zinc/07/82/60/624078260.db2.gz HZEZIVLNVQEDPP-IJEWVQPXSA-N 2 1 289.423 2.416 20 0 CEADMP Cn1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1C1CC1 ZINC000891934510 624113161 /nfs/dbraw/zinc/11/31/61/624113161.db2.gz VTIDQFIGECOTBG-UHFFFAOYSA-N 2 1 276.428 2.071 20 0 CEADMP C[NH+]1CCC(C[N@@H+](CCCO)Cc2ccccc2)CC1 ZINC000891941516 624123911 /nfs/dbraw/zinc/12/39/11/624123911.db2.gz ZNNUJZYGLLYNLS-UHFFFAOYSA-N 2 1 276.424 2.213 20 0 CEADMP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001022588079 624282621 /nfs/dbraw/zinc/28/26/21/624282621.db2.gz CKTPRLHPDKRHFA-LZWOXQAQSA-N 2 1 293.455 2.040 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCOC[C@H]2c2ccccc2)CC1 ZINC000892121608 624334597 /nfs/dbraw/zinc/33/45/97/624334597.db2.gz TWNDEDCVZVMXCH-KRWDZBQOSA-N 2 1 274.408 2.402 20 0 CEADMP Cc1nccn1CC[N@H+]1CCN(c2ccccc2)[C@@H](C)C1 ZINC000934321221 624412291 /nfs/dbraw/zinc/41/22/91/624412291.db2.gz ZXVVKRFBOLEYDY-HNNXBMFYSA-N 2 1 284.407 2.402 20 0 CEADMP CC[C@@H](C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)OC ZINC000926502281 624946850 /nfs/dbraw/zinc/94/68/50/624946850.db2.gz DXJXMMUEQAWVQZ-ZCRFILTFSA-N 2 1 298.471 2.279 20 0 CEADMP C[C@@H]1CC2(CC([NH2+]CCCC[N@@H+](C)C3CC3)C2)CO1 ZINC000926561399 625090001 /nfs/dbraw/zinc/09/00/01/625090001.db2.gz XVFJHISDPAESHE-VQCLRJIVSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=[NH2+])NC2CCCC2)C1 ZINC000066243378 625815201 /nfs/dbraw/zinc/81/52/01/625815201.db2.gz OMJUVUVSIPQFMS-OKILXGFUSA-N 2 1 280.460 2.411 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC(C)(O)CC1 ZINC000892520688 625887544 /nfs/dbraw/zinc/88/75/44/625887544.db2.gz CIKISMFGYJJOGF-GRTSSRMGSA-N 2 1 265.401 2.111 20 0 CEADMP CCc1onc(C)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000892521410 625894216 /nfs/dbraw/zinc/89/42/16/625894216.db2.gz SPGRIFQYLKUCSI-NSHDSACASA-N 2 1 276.384 2.476 20 0 CEADMP C[N@H+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000820810531 634536575 /nfs/dbraw/zinc/53/65/75/634536575.db2.gz YPHSQEAUMNGGBU-YTTRVJOFSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000820810531 634536580 /nfs/dbraw/zinc/53/65/80/634536580.db2.gz YPHSQEAUMNGGBU-YTTRVJOFSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000820810531 634536586 /nfs/dbraw/zinc/53/65/86/634536586.db2.gz YPHSQEAUMNGGBU-YTTRVJOFSA-N 2 1 277.456 2.076 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000820810531 634536590 /nfs/dbraw/zinc/53/65/90/634536590.db2.gz YPHSQEAUMNGGBU-YTTRVJOFSA-N 3 1 277.456 2.076 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000820810531 634536593 /nfs/dbraw/zinc/53/65/93/634536593.db2.gz YPHSQEAUMNGGBU-YTTRVJOFSA-N 3 1 277.456 2.076 20 0 CEADMP C[NH+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000820810531 634536598 /nfs/dbraw/zinc/53/65/98/634536598.db2.gz YPHSQEAUMNGGBU-YTTRVJOFSA-N 3 1 277.456 2.076 20 0 CEADMP C[NH+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000820810531 634536604 /nfs/dbraw/zinc/53/66/04/634536604.db2.gz YPHSQEAUMNGGBU-YTTRVJOFSA-N 3 1 277.456 2.076 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CCCO)C1 ZINC000820810485 634537287 /nfs/dbraw/zinc/53/72/87/634537287.db2.gz XSOIMNAMRCUPRR-OAGGEKHMSA-N 2 1 268.445 2.249 20 0 CEADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000926755021 627285791 /nfs/dbraw/zinc/28/57/91/627285791.db2.gz WLNYVVCCEDKVKI-GJZGRUSLSA-N 2 1 261.413 2.334 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H]1COC(C)(C)O1 ZINC000892585439 627291936 /nfs/dbraw/zinc/29/19/36/627291936.db2.gz UNTOWBXUEFELDM-GJZGRUSLSA-N 2 1 284.444 2.382 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC000892615275 627313046 /nfs/dbraw/zinc/31/30/46/627313046.db2.gz XNYUAENKXGCRNC-LLVKDONJSA-N 2 1 268.788 2.477 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC000892615275 627313049 /nfs/dbraw/zinc/31/30/49/627313049.db2.gz XNYUAENKXGCRNC-LLVKDONJSA-N 2 1 268.788 2.477 20 0 CEADMP C(CN[C@H]1CCC[N@H+]2CCCC[C@H]12)C[NH+]1CCCCC1 ZINC000924578977 627313105 /nfs/dbraw/zinc/31/31/05/627313105.db2.gz SITNLVARXJMESK-DLBZAZTESA-N 2 1 279.472 2.469 20 0 CEADMP C(C[NH2+][C@H]1CCCN2CCCC[C@H]12)C[NH+]1CCCCC1 ZINC000924578977 627313106 /nfs/dbraw/zinc/31/31/06/627313106.db2.gz SITNLVARXJMESK-DLBZAZTESA-N 2 1 279.472 2.469 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C[NH+]1CCCC1 ZINC000902316313 634579674 /nfs/dbraw/zinc/57/96/74/634579674.db2.gz QEASLEDXCVUEFJ-GJZGRUSLSA-N 3 1 267.461 2.086 20 0 CEADMP Cc1noc(C)c1CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166123873 627632693 /nfs/dbraw/zinc/63/26/93/627632693.db2.gz WXLZVHXJSSVASX-RISCZKNCSA-N 2 1 265.401 2.296 20 0 CEADMP CN(C)c1ncccc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902335388 634596654 /nfs/dbraw/zinc/59/66/54/634596654.db2.gz AUCOYBMQJNGRLU-AWEZNQCLSA-N 2 1 276.428 2.015 20 0 CEADMP C[C@H]1C[N@@H+](CCCOc2ccccc2)CC[C@@H]1C[NH3+] ZINC000122306805 627733173 /nfs/dbraw/zinc/73/31/73/627733173.db2.gz YMVPTHYEZXXPDS-LSDHHAIUSA-N 2 1 262.397 2.372 20 0 CEADMP C[C@H]([NH2+]CCOC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000851926728 627766414 /nfs/dbraw/zinc/76/64/14/627766414.db2.gz WKZYFXWMYNPUIO-RYUDHWBXSA-N 2 1 276.371 2.468 20 0 CEADMP CCc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)nc(CC)n1 ZINC000892840302 627805640 /nfs/dbraw/zinc/80/56/40/627805640.db2.gz OZSBZIUAHDIAQY-TZMCWYRMSA-N 2 1 276.428 2.378 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)N1CCCCC1 ZINC000902365026 634619860 /nfs/dbraw/zinc/61/98/60/634619860.db2.gz WMCLMPDGHKXMCD-GJZGRUSLSA-N 2 1 267.461 2.229 20 0 CEADMP C[N@H+]1CCCC12CCN(c1cc(N)[nH+]cc1Cl)CC2 ZINC000893093059 627995871 /nfs/dbraw/zinc/99/58/71/627995871.db2.gz UAUJSKAPJZGVBP-UHFFFAOYSA-N 2 1 280.803 2.382 20 0 CEADMP CN(C[C@@H]([NH3+])CC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309901152 628118658 /nfs/dbraw/zinc/11/86/58/628118658.db2.gz IIANKZCTQJHMSA-LSDHHAIUSA-N 2 1 297.393 2.175 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902390342 634630896 /nfs/dbraw/zinc/63/08/96/634630896.db2.gz KMAXKSNCMKQCDT-HUUCEWRRSA-N 3 1 267.461 2.086 20 0 CEADMP C[C@H](CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000925548883 628191711 /nfs/dbraw/zinc/19/17/11/628191711.db2.gz UQBWOJRYGZXXQC-OVYGPGRDSA-N 2 1 293.499 2.473 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000925552395 628205281 /nfs/dbraw/zinc/20/52/81/628205281.db2.gz KMGVREMQSVNCSF-OIISXLGYSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cccc(OC(F)F)c1 ZINC000902416667 634642559 /nfs/dbraw/zinc/64/25/59/634642559.db2.gz WAPMYUAXKXAZQD-SECBINFHSA-N 2 1 256.296 2.430 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](CCc1cccc(F)c1)CCO2 ZINC000930823066 628278573 /nfs/dbraw/zinc/27/85/73/628278573.db2.gz BIWRRUNBLJYFJE-UHFFFAOYSA-N 2 1 292.398 2.165 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)[C@@H]1c1ccccc1 ZINC000925631063 628326013 /nfs/dbraw/zinc/32/60/13/628326013.db2.gz UAMIUZWGOQNICH-NXOAAHMSSA-N 2 1 285.435 2.291 20 0 CEADMP Cc1cccc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)n1 ZINC000925663562 628378710 /nfs/dbraw/zinc/37/87/10/628378710.db2.gz SXOMQFZFFQEADK-HNNXBMFYSA-N 2 1 259.397 2.197 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])[C@H]2CCC[C@@H]21 ZINC000902436192 634656178 /nfs/dbraw/zinc/65/61/78/634656178.db2.gz XVUIJUDVPYZQQT-MDMSPXHWSA-N 2 1 285.435 2.074 20 0 CEADMP CC[C@@H](COCC(F)(F)F)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925679147 628471287 /nfs/dbraw/zinc/47/12/87/628471287.db2.gz HTBRTDGOHUKEDU-QWRGUYRKSA-N 2 1 280.334 2.218 20 0 CEADMP C[C@H](CCCO)C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925679298 628474118 /nfs/dbraw/zinc/47/41/18/628474118.db2.gz IJKBZOJNOROINW-IPYPFGDCSA-N 2 1 250.386 2.073 20 0 CEADMP [NH3+]CCC[C@H](NCc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000925679714 628474168 /nfs/dbraw/zinc/47/41/68/628474168.db2.gz MGAKGDGGSLSLDH-AWEZNQCLSA-N 2 1 285.395 2.252 20 0 CEADMP [NH3+]CCC[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccccc1 ZINC000925679714 628474169 /nfs/dbraw/zinc/47/41/69/628474169.db2.gz MGAKGDGGSLSLDH-AWEZNQCLSA-N 2 1 285.395 2.252 20 0 CEADMP [NH3+]C1(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000902413480 634663507 /nfs/dbraw/zinc/66/35/07/634663507.db2.gz MRJLNUAVZXDYHV-FGTMMUONSA-N 2 1 299.462 2.368 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000925699071 628535922 /nfs/dbraw/zinc/53/59/22/628535922.db2.gz MQHYCVAWIMDMPQ-LSDHHAIUSA-N 2 1 259.397 2.376 20 0 CEADMP CC(C)CO[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(C)C ZINC000902472246 634664433 /nfs/dbraw/zinc/66/44/33/634664433.db2.gz ZKQGZZTWYLGLPF-QRTUWBSPSA-N 2 1 266.429 2.309 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(N)c3)CC[C@H]21 ZINC000227328546 628559328 /nfs/dbraw/zinc/55/93/28/628559328.db2.gz TWPBNUVZBRKRAN-GOEBONIOSA-N 2 1 259.397 2.185 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(N)c3)CC[C@H]21 ZINC000227328546 628559332 /nfs/dbraw/zinc/55/93/32/628559332.db2.gz TWPBNUVZBRKRAN-GOEBONIOSA-N 2 1 259.397 2.185 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(N)c3)CC[C@H]21 ZINC000227328546 628559335 /nfs/dbraw/zinc/55/93/35/628559335.db2.gz TWPBNUVZBRKRAN-GOEBONIOSA-N 2 1 259.397 2.185 20 0 CEADMP CC1(C)[C@H](NCc2ccc(C[NH3+])cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925714586 628572559 /nfs/dbraw/zinc/57/25/59/628572559.db2.gz ZYMUNOPHYNLRGZ-OWCLPIDISA-N 2 1 273.424 2.012 20 0 CEADMP Cc1ccc(C(C)(C)C[NH2+][C@H]2CCC[NH2+][C@@H]2C)nc1 ZINC000925717627 628580266 /nfs/dbraw/zinc/58/02/66/628580266.db2.gz CBMNWBLGEIKUGH-KGLIPLIRSA-N 2 1 261.413 2.398 20 0 CEADMP c1csc(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257692338 628605719 /nfs/dbraw/zinc/60/57/19/628605719.db2.gz NVUKVAADHJEXNY-AWEZNQCLSA-N 2 1 250.411 2.366 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093516870 628674208 /nfs/dbraw/zinc/67/42/08/628674208.db2.gz DLBGGDWBYGDTSX-IUODEOHRSA-N 2 1 278.444 2.437 20 0 CEADMP Cc1nc(NC[C@H](C)[NH3+])cc(Nc2ccccc2)[nH+]1 ZINC000258711633 628763109 /nfs/dbraw/zinc/76/31/09/628763109.db2.gz LEMHPCXLRWCEQS-JTQLQIEISA-N 2 1 257.341 2.288 20 0 CEADMP C[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1c[nH+]ccc1N ZINC000902461029 634681544 /nfs/dbraw/zinc/68/15/44/634681544.db2.gz KQJLRRVYOMJNMM-TYNCELHUSA-N 2 1 273.380 2.104 20 0 CEADMP C1CC([C@@H]2CC[C@@H]2[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000925789580 628831996 /nfs/dbraw/zinc/83/19/96/628831996.db2.gz ABCFGKMPUDPSNK-JYJNAYRXSA-N 2 1 278.440 2.313 20 0 CEADMP C[C@@H]([NH2+]Cc1nccc2c1CCCC2)[C@@H]1CC[NH2+]C1 ZINC000925805768 628856357 /nfs/dbraw/zinc/85/63/57/628856357.db2.gz KPARHOJDAHKBPD-TZMCWYRMSA-N 2 1 259.397 2.048 20 0 CEADMP C[C@H]([NH2+]Cc1nccc2c1CCCC2)[C@H]1CC[NH2+]C1 ZINC000925805655 628856376 /nfs/dbraw/zinc/85/63/76/628856376.db2.gz KPARHOJDAHKBPD-JSGCOSHPSA-N 2 1 259.397 2.048 20 0 CEADMP Nc1nc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cs1 ZINC000902499363 634692255 /nfs/dbraw/zinc/69/22/55/634692255.db2.gz JJLJHZALKGZVSS-CYBMUJFWSA-N 2 1 276.409 2.295 20 0 CEADMP C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1c[nH+]ccc1N ZINC000925837882 628936011 /nfs/dbraw/zinc/93/60/11/628936011.db2.gz TZEOTFOIHIBPAL-BXKDBHETSA-N 2 1 290.333 2.027 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000925874454 628974761 /nfs/dbraw/zinc/97/47/61/628974761.db2.gz KDUGVVRHYFGEDV-CABCVRRESA-N 2 1 260.381 2.371 20 0 CEADMP COCC[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000447344432 628990487 /nfs/dbraw/zinc/99/04/87/628990487.db2.gz YNFRMKRJKVBLDJ-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)C[C@@]1(CO)CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000893964257 629063030 /nfs/dbraw/zinc/06/30/30/629063030.db2.gz MKZOTVQVHDUIAZ-MRXNPFEDSA-N 2 1 268.445 2.201 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2n[nH]c(C)c2C)[C@@H](C)C1 ZINC000894050044 629103045 /nfs/dbraw/zinc/10/30/45/629103045.db2.gz LCOTYNHDVCVNNA-NHYWBVRUSA-N 2 1 264.417 2.189 20 0 CEADMP Cc1noc2ncc(C[NH2+]C[C@H](C)C[NH+]3CCCC3)cc12 ZINC000894192915 629199696 /nfs/dbraw/zinc/19/96/96/629199696.db2.gz KIROVNFFRHSXKL-LBPRGKRZSA-N 2 1 288.395 2.353 20 0 CEADMP C[N@@H+](CCN[C@H]1CCC[NH+]2CCCC[C@H]12)C1CCCC1 ZINC000924969289 629308815 /nfs/dbraw/zinc/30/88/15/629308815.db2.gz ILZDZXVHJRJXMD-DLBZAZTESA-N 2 1 279.472 2.467 20 0 CEADMP C[NH+](CCN[C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCCC1 ZINC000924969289 629308818 /nfs/dbraw/zinc/30/88/18/629308818.db2.gz ILZDZXVHJRJXMD-DLBZAZTESA-N 2 1 279.472 2.467 20 0 CEADMP C[NH+](CCN[C@H]1CCC[N@H+]2CCCC[C@H]12)C1CCCC1 ZINC000924969289 629308821 /nfs/dbraw/zinc/30/88/21/629308821.db2.gz ILZDZXVHJRJXMD-DLBZAZTESA-N 2 1 279.472 2.467 20 0 CEADMP Cc1noc([C@H]2CCCC[N@@H+]2CC2CC[NH+](C)CC2)n1 ZINC000894436453 629461275 /nfs/dbraw/zinc/46/12/75/629461275.db2.gz JYEVIMCPUSTINU-CQSZACIVSA-N 2 1 278.400 2.247 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)C[C@H]1C[C@@]1(C)Br ZINC000894472743 629476433 /nfs/dbraw/zinc/47/64/33/629476433.db2.gz VUWFZIFDSUQUGB-VXGBXAGGSA-N 2 1 277.250 2.434 20 0 CEADMP CCc1nnc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000894479095 629485239 /nfs/dbraw/zinc/48/52/39/629485239.db2.gz KBNWIWJBMSJXOB-CYBMUJFWSA-N 2 1 294.468 2.264 20 0 CEADMP CCc1nnc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000894479095 629485245 /nfs/dbraw/zinc/48/52/45/629485245.db2.gz KBNWIWJBMSJXOB-CYBMUJFWSA-N 2 1 294.468 2.264 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cn3ccnc3s2)C1 ZINC000894496938 629491222 /nfs/dbraw/zinc/49/12/22/629491222.db2.gz ROEBBAHQAWCVPZ-TZMCWYRMSA-N 2 1 290.436 2.312 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cn3ccnc3s2)C1 ZINC000894496938 629491228 /nfs/dbraw/zinc/49/12/28/629491228.db2.gz ROEBBAHQAWCVPZ-TZMCWYRMSA-N 2 1 290.436 2.312 20 0 CEADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)o1 ZINC000894496338 629498110 /nfs/dbraw/zinc/49/81/10/629498110.db2.gz OYVOPJBBZBMWAN-GXTWGEPZSA-N 2 1 266.385 2.450 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1ccc(O)c(F)c1)C1CC1 ZINC000894806723 629651455 /nfs/dbraw/zinc/65/14/55/629651455.db2.gz JGZCUZDPEUVJNM-UHFFFAOYSA-N 2 1 266.360 2.495 20 0 CEADMP CCc1onc(C)c1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000894847413 629684208 /nfs/dbraw/zinc/68/42/08/629684208.db2.gz GHXQXOHHXPKMMT-UHFFFAOYSA-N 2 1 270.336 2.483 20 0 CEADMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000894861435 629700342 /nfs/dbraw/zinc/70/03/42/629700342.db2.gz UJYCBHNRYLDXQR-LBPRGKRZSA-N 2 1 252.358 2.110 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+]2CCCC2(C)C)C1 ZINC000909429123 629842930 /nfs/dbraw/zinc/84/29/30/629842930.db2.gz HIVSBYPJBICVFJ-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+]2CCCC2(C)C)C1 ZINC000909429123 629842935 /nfs/dbraw/zinc/84/29/35/629842935.db2.gz HIVSBYPJBICVFJ-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+]2CCCC2(C)C)C1 ZINC000909429123 629842938 /nfs/dbraw/zinc/84/29/38/629842938.db2.gz HIVSBYPJBICVFJ-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2COCC2(C)C)[C@H](c2ccccc2)C1 ZINC000895085605 629875748 /nfs/dbraw/zinc/87/57/48/629875748.db2.gz NNJBPNFSKVWQOI-IXDOHACOSA-N 2 1 288.435 2.346 20 0 CEADMP Cc1ccnc(N)c1CNCCC[N@H+](C)CC(C)C ZINC000895128769 629934529 /nfs/dbraw/zinc/93/45/29/629934529.db2.gz FBJCTANKOUNTAH-UHFFFAOYSA-N 2 1 264.417 2.040 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)o1 ZINC000796782358 630004375 /nfs/dbraw/zinc/00/43/75/630004375.db2.gz ZYHMUYZNUQSKTE-GBJTYRQASA-N 2 1 278.396 2.084 20 0 CEADMP CC1=NO[C@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000895306731 630092832 /nfs/dbraw/zinc/09/28/32/630092832.db2.gz ILNCESMMSVOCHT-ZDUSSCGKSA-N 2 1 253.390 2.004 20 0 CEADMP CCc1nc(N2CC[C@H](CC[NH+](C)C)C2)cc(C)[nH+]1 ZINC000895324558 630111896 /nfs/dbraw/zinc/11/18/96/630111896.db2.gz IPOJQNMLOUCXAW-ZDUSSCGKSA-N 2 1 262.401 2.125 20 0 CEADMP COc1ccc(CNC[C@@H]2CCCC[N@@H+](C)C2)o1 ZINC000895587383 630262097 /nfs/dbraw/zinc/26/20/97/630262097.db2.gz QLCMVUXJXBSEEP-LBPRGKRZSA-N 2 1 252.358 2.110 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cn(C)nn1 ZINC000902747278 634807308 /nfs/dbraw/zinc/80/73/08/634807308.db2.gz DMHDWZCGGNWDRC-ZNMIVQPWSA-N 2 1 293.459 2.224 20 0 CEADMP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)CC[N@H+]2C1 ZINC000902752251 634809521 /nfs/dbraw/zinc/80/95/21/634809521.db2.gz IJWRYLFNGLZNKC-LHNJRNKTSA-N 2 1 276.424 2.016 20 0 CEADMP c1ccc2c(NC[C@@H]3CC[N@H+]3C3CCOCC3)cc[nH+]c2c1 ZINC000896517413 630587322 /nfs/dbraw/zinc/58/73/22/630587322.db2.gz FLMRUIAGQHJYFF-HNNXBMFYSA-N 2 1 297.402 2.322 20 0 CEADMP CCn1nc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c2ccccc21 ZINC000903978908 635395301 /nfs/dbraw/zinc/39/53/01/635395301.db2.gz ZAJJWURFIQIFAA-ZIAGYGMSSA-N 2 1 286.423 2.473 20 0 CEADMP CCO[C@H](C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)C[NH+](C)C ZINC000896879845 630699138 /nfs/dbraw/zinc/69/91/38/630699138.db2.gz ICNGTNDZRLQTNK-GVDBMIGSSA-N 2 1 276.424 2.346 20 0 CEADMP Cc1cc(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)nc(C2CCC2)n1 ZINC000896911966 630796180 /nfs/dbraw/zinc/79/61/80/630796180.db2.gz KULSIHBLLBTAMV-PBHICJAKSA-N 2 1 286.423 2.440 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956902 630956229 /nfs/dbraw/zinc/95/62/29/630956229.db2.gz PHLGOUUBNZFUML-UHFFFAOYSA-N 2 1 296.455 2.384 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCCO)[C@H]2CCc3ccccc32)C1 ZINC000904321015 635568114 /nfs/dbraw/zinc/56/81/14/635568114.db2.gz TWDPGMIICGQCPF-LXZKKBNFSA-N 2 1 274.408 2.096 20 0 CEADMP FC(F)C1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000799717451 631068885 /nfs/dbraw/zinc/06/88/85/631068885.db2.gz FWCBQJDCFPJAEV-PQAZSJQKSA-N 2 1 288.382 2.263 20 0 CEADMP FC(F)C1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000799717451 631068887 /nfs/dbraw/zinc/06/88/87/631068887.db2.gz FWCBQJDCFPJAEV-PQAZSJQKSA-N 2 1 288.382 2.263 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)Cc2ccccc2)CC[N@@H+]1C ZINC000799730217 631071206 /nfs/dbraw/zinc/07/12/06/631071206.db2.gz CNEOIOGPKOIKNK-PVAVHDDUSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)Cc2ccccc2)CC[N@H+]1C ZINC000799730217 631071213 /nfs/dbraw/zinc/07/12/13/631071213.db2.gz CNEOIOGPKOIKNK-PVAVHDDUSA-N 2 1 276.424 2.052 20 0 CEADMP CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000985751430 631179920 /nfs/dbraw/zinc/17/99/20/631179920.db2.gz LRIURAXPLSZHLQ-HOCLYGCPSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000985801336 631183734 /nfs/dbraw/zinc/18/37/34/631183734.db2.gz DWPFLBWUEFYLEC-HUUCEWRRSA-N 2 1 295.471 2.190 20 0 CEADMP CC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000985800846 631183738 /nfs/dbraw/zinc/18/37/38/631183738.db2.gz RKKGLOZPTKQABB-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP COc1ccc(CC[C@H]2CCCC[N@@H+]2CCN)cc1OC ZINC000262909094 631255244 /nfs/dbraw/zinc/25/52/44/631255244.db2.gz FMKVHSHHZYZVAO-OAHLLOKOSA-N 2 1 292.423 2.450 20 0 CEADMP COc1ccc(CC[C@H]2CCCC[N@H+]2CCN)cc1OC ZINC000262909094 631255247 /nfs/dbraw/zinc/25/52/47/631255247.db2.gz FMKVHSHHZYZVAO-OAHLLOKOSA-N 2 1 292.423 2.450 20 0 CEADMP COc1ccc(CC[C@H]2CCCC[N@@H+]2CC[NH3+])cc1OC ZINC000262909094 631255252 /nfs/dbraw/zinc/25/52/52/631255252.db2.gz FMKVHSHHZYZVAO-OAHLLOKOSA-N 2 1 292.423 2.450 20 0 CEADMP COc1ccc(CC[C@H]2CCCC[N@H+]2CC[NH3+])cc1OC ZINC000262909094 631255257 /nfs/dbraw/zinc/25/52/57/631255257.db2.gz FMKVHSHHZYZVAO-OAHLLOKOSA-N 2 1 292.423 2.450 20 0 CEADMP CC[C@@](O)(CCC(F)(F)F)C[NH2+]C1CC[NH+](C)CC1 ZINC000897521786 631616341 /nfs/dbraw/zinc/61/63/41/631616341.db2.gz JAMCATLDQQVLLS-GFCCVEGCSA-N 2 1 282.350 2.154 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)s1 ZINC000897537199 631690081 /nfs/dbraw/zinc/69/00/81/631690081.db2.gz ONNVHTMMSHMUAF-JSGCOSHPSA-N 2 1 297.468 2.236 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+]Cc2cnn(CCF)c2)CC1 ZINC000897728665 631886575 /nfs/dbraw/zinc/88/65/75/631886575.db2.gz KJPHEFKHKYSHGO-UHFFFAOYSA-N 2 1 296.434 2.453 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897788328 631917648 /nfs/dbraw/zinc/91/76/48/631917648.db2.gz CQAMTRXMMZTZEK-UONOGXRCSA-N 2 1 283.460 2.096 20 0 CEADMP CCCCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)(C)C ZINC000808693607 632001638 /nfs/dbraw/zinc/00/16/38/632001638.db2.gz JXCAHQXBCPOKRZ-KBPBESRZSA-N 2 1 258.450 2.494 20 0 CEADMP CC(C)[NH+]1CCC(NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000898035108 632029647 /nfs/dbraw/zinc/02/96/47/632029647.db2.gz LIRVSDVZHTZNHN-UHFFFAOYSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H](O)c1ncc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000809623885 632113616 /nfs/dbraw/zinc/11/36/16/632113616.db2.gz CWBAIBSRBVZDPR-QJPTWQEYSA-N 2 1 283.441 2.159 20 0 CEADMP CCOCOc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000809729978 632133648 /nfs/dbraw/zinc/13/36/48/632133648.db2.gz VOXQPTBVRDGPJO-UHFFFAOYSA-N 2 1 280.412 2.443 20 0 CEADMP CCOCOc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000809729978 632133651 /nfs/dbraw/zinc/13/36/51/632133651.db2.gz VOXQPTBVRDGPJO-UHFFFAOYSA-N 2 1 280.412 2.443 20 0 CEADMP COC1(C[NH2+]C2CC[NH+](C)CC2)CCCCCC1 ZINC000898264120 632135120 /nfs/dbraw/zinc/13/51/20/632135120.db2.gz UAQLDLNOBVRHAF-UHFFFAOYSA-N 2 1 254.418 2.410 20 0 CEADMP CSCC(C)(C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000898305481 632163917 /nfs/dbraw/zinc/16/39/17/632163917.db2.gz FQJPGYXDYMPMQQ-UHFFFAOYSA-N 2 1 273.471 2.436 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989483285 632184505 /nfs/dbraw/zinc/18/45/05/632184505.db2.gz RSFCTTJFTSEKNI-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)(C)CC[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989669696 632221597 /nfs/dbraw/zinc/22/15/97/632221597.db2.gz GUYCPVNZTDUZHQ-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP C[C@@H]1NCCC[C@@H]1[NH2+]CCc1ccc(F)cc1F ZINC000841063179 632373348 /nfs/dbraw/zinc/37/33/48/632373348.db2.gz JOPAFBWJLJUPTP-HZMBPMFUSA-N 2 1 254.324 2.237 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccc(F)cc1F ZINC000841063179 632373354 /nfs/dbraw/zinc/37/33/54/632373354.db2.gz JOPAFBWJLJUPTP-HZMBPMFUSA-N 2 1 254.324 2.237 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CCCC2(CC2)C1)C[NH+](C)C ZINC000926964027 632392878 /nfs/dbraw/zinc/39/28/78/632392878.db2.gz PENKIOHZLQVVFJ-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2CCCO)C1 ZINC000924705021 632439097 /nfs/dbraw/zinc/43/90/97/632439097.db2.gz JYLJSODMOMICEA-PMPSAXMXSA-N 2 1 268.445 2.249 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC1(C)C ZINC000898384909 632476863 /nfs/dbraw/zinc/47/68/63/632476863.db2.gz HPZRAOXIJSUHEH-FVQBIDKESA-N 2 1 274.408 2.107 20 0 CEADMP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)C(C)(C)CO ZINC000924740001 632594624 /nfs/dbraw/zinc/59/46/24/632594624.db2.gz RBFGFADEJPROFJ-YCPHGPKFSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@@H](CNC(=[NH2+])N[C@@H](C)C1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000899265994 632764079 /nfs/dbraw/zinc/76/40/79/632764079.db2.gz MQEHQVAOJNQEDQ-AGIUHOORSA-N 2 1 266.433 2.019 20 0 CEADMP C[C@@H](NC(=[NH2+])NCCCC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000899265852 632764337 /nfs/dbraw/zinc/76/43/37/632764337.db2.gz KQNLPUXXIZDACI-ZIAGYGMSSA-N 2 1 280.460 2.411 20 0 CEADMP CC[C@@H](C)C[C@@H]([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000900017284 633180791 /nfs/dbraw/zinc/18/07/91/633180791.db2.gz BBKCSTGSBROCIW-ZYHUDNBSSA-N 2 1 266.389 2.048 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@@H](C)C2)C1 ZINC000842695264 633394940 /nfs/dbraw/zinc/39/49/40/633394940.db2.gz ZCRHMFWJJVQNPP-ZNMIVQPWSA-N 2 1 254.418 2.121 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817281825 633617869 /nfs/dbraw/zinc/61/78/69/633617869.db2.gz QDRQMAXUYUUPTC-OLZOCXBDSA-N 2 1 294.361 2.108 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817281825 633617874 /nfs/dbraw/zinc/61/78/74/633617874.db2.gz QDRQMAXUYUUPTC-OLZOCXBDSA-N 2 1 294.361 2.108 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000817891897 633754096 /nfs/dbraw/zinc/75/40/96/633754096.db2.gz PKNYLEXTXYHWPS-FMKPAKJESA-N 2 1 274.408 2.358 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000817898676 633759087 /nfs/dbraw/zinc/75/90/87/633759087.db2.gz KBEMFVKZQPLZTE-HUUCEWRRSA-N 2 1 285.395 2.017 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000817898439 633759164 /nfs/dbraw/zinc/75/91/64/633759164.db2.gz FSEVAGWKZRZLJT-ILXRZTDVSA-N 2 1 282.815 2.494 20 0 CEADMP N[C@@H]1CCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900373 633760150 /nfs/dbraw/zinc/76/01/50/633760150.db2.gz MOFBXROFPHQLMC-QDIHITRGSA-N 2 1 265.445 2.253 20 0 CEADMP N[C@H]1CCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900370 633760433 /nfs/dbraw/zinc/76/04/33/633760433.db2.gz MOFBXROFPHQLMC-CKUJCDMFSA-N 2 1 265.445 2.253 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nc2cc(F)ccc2n1C ZINC000817903783 633764087 /nfs/dbraw/zinc/76/40/87/633764087.db2.gz JZUDNDDOIURCGU-YPMHNXCESA-N 2 1 290.386 2.190 20 0 CEADMP COc1cccc([C@H](O)C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000817906222 633766066 /nfs/dbraw/zinc/76/60/66/633766066.db2.gz YPDOILVUSZXQIP-OKZBNKHCSA-N 2 1 298.386 2.463 20 0 CEADMP Fc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817926810 633782530 /nfs/dbraw/zinc/78/25/30/633782530.db2.gz AIBNMOMQRIUTGE-HZSPNIEDSA-N 2 1 263.360 2.231 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2COc3ccccc3[C@H]2O)c2ccccc21 ZINC000817932168 633785812 /nfs/dbraw/zinc/78/58/12/633785812.db2.gz RRZIXNNRKNYTJU-KYHPRHEASA-N 2 1 296.370 2.215 20 0 CEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000817959886 633800947 /nfs/dbraw/zinc/80/09/47/633800947.db2.gz JUWWGLBSTZYIQX-XHDPSFHLSA-N 2 1 289.379 2.031 20 0 CEADMP COCc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)ccc1OC ZINC000817960061 633803441 /nfs/dbraw/zinc/80/34/41/633803441.db2.gz WUERGJYIOJSEJJ-SWLSCSKDSA-N 2 1 280.412 2.476 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CCCCCCC[NH3+])CC[NH2+]CC2 ZINC000818339964 633911905 /nfs/dbraw/zinc/91/19/05/633911905.db2.gz GPWSNRIPSIWOIT-HNNXBMFYSA-N 3 1 267.461 2.360 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000818979925 634026864 /nfs/dbraw/zinc/02/68/64/634026864.db2.gz DPPDBBWTXFUUMQ-MLGOLLRUSA-N 2 1 298.377 2.320 20 0 CEADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000818981988 634027724 /nfs/dbraw/zinc/02/77/24/634027724.db2.gz BTEKWTLHBSAHAY-AEFFLSMTSA-N 2 1 288.435 2.259 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)C2CC2)[C@@H]1c1cccs1 ZINC000819101021 634068635 /nfs/dbraw/zinc/06/86/35/634068635.db2.gz KZETVEVDLJIGES-IJEWVQPXSA-N 2 1 294.464 2.492 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)C2CC2)[C@@H]1c1cccs1 ZINC000819101021 634068646 /nfs/dbraw/zinc/06/86/46/634068646.db2.gz KZETVEVDLJIGES-IJEWVQPXSA-N 2 1 294.464 2.492 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc(F)c2)C1 ZINC000819151327 634084783 /nfs/dbraw/zinc/08/47/83/634084783.db2.gz ARICPSXBOTYAFR-YOEHRIQHSA-N 2 1 294.414 2.427 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)c1cc(F)ccc1F)C1CC1 ZINC000819360239 634154522 /nfs/dbraw/zinc/15/45/22/634154522.db2.gz BJCWBOGNGKASTL-MRXNPFEDSA-N 2 1 298.377 2.462 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1F)C1CC1 ZINC000819361658 634155742 /nfs/dbraw/zinc/15/57/42/634155742.db2.gz KLWJHBYSZZNMIJ-MRXNPFEDSA-N 2 1 298.377 2.462 20 0 CEADMP CCCn1cc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)nn1 ZINC000902791836 634835554 /nfs/dbraw/zinc/83/55/54/634835554.db2.gz YBKXWYQAPDHMFL-STQMWFEESA-N 2 1 290.415 2.180 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902987153 634919630 /nfs/dbraw/zinc/91/96/30/634919630.db2.gz DBRGHZIUQHTLJD-NQLMQOPMSA-N 2 1 278.440 2.264 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902987153 634919632 /nfs/dbraw/zinc/91/96/32/634919632.db2.gz DBRGHZIUQHTLJD-NQLMQOPMSA-N 2 1 278.440 2.264 20 0 CEADMP C[N@@H+](CCC[NH2+][C@H]1CCO[C@@]12CCOC2)C1CCCCC1 ZINC000903062915 634951782 /nfs/dbraw/zinc/95/17/82/634951782.db2.gz ZAKDFUWCJJQWFR-DLBZAZTESA-N 2 1 296.455 2.179 20 0 CEADMP O[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903109082 634973746 /nfs/dbraw/zinc/97/37/46/634973746.db2.gz CYELNRNFSCFQDM-QBYKZECYSA-N 2 1 298.430 2.392 20 0 CEADMP O[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903109082 634973747 /nfs/dbraw/zinc/97/37/47/634973747.db2.gz CYELNRNFSCFQDM-QBYKZECYSA-N 2 1 298.430 2.392 20 0 CEADMP CC[C@H](C)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903097198 634977821 /nfs/dbraw/zinc/97/78/21/634977821.db2.gz QKNRNIJFWLUDNT-UJHCDMDASA-N 2 1 266.429 2.141 20 0 CEADMP C(C[C@@H]1CC[C@@H]2C[C@@H]21)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000903165863 634995752 /nfs/dbraw/zinc/99/57/52/634995752.db2.gz WRRYEBLPHCZQGC-HDEZJCGLSA-N 2 1 278.440 2.266 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)[C@H]2CCC[C@@H]21 ZINC000903266443 635038324 /nfs/dbraw/zinc/03/83/24/635038324.db2.gz ZIRIKMCODUTZFC-QEOTZNIISA-N 2 1 280.456 2.390 20 0 CEADMP OC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903290207 635052729 /nfs/dbraw/zinc/05/27/29/635052729.db2.gz SXDBHLIQPACMAA-SQNIBIBYSA-N 2 1 288.435 2.197 20 0 CEADMP CC(C)O[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCOC1 ZINC000903357188 635084007 /nfs/dbraw/zinc/08/40/07/635084007.db2.gz KNWZFJSKTBZUEB-HZMVEIRTSA-N 2 1 296.455 2.033 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H](CC[NH+](C)C)c2cccnc2)CC[N@H+]1C ZINC000903384122 635094708 /nfs/dbraw/zinc/09/47/08/635094708.db2.gz QFIMLXNJAYOMKF-OIISXLGYSA-N 2 1 290.455 2.147 20 0 CEADMP C[C@H](C[C@H]1CCOC1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903382505 635094773 /nfs/dbraw/zinc/09/47/73/635094773.db2.gz FXOKPMQQRUIUDU-BFYDXBDKSA-N 2 1 291.439 2.479 20 0 CEADMP COc1ccccc1CC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903435878 635117156 /nfs/dbraw/zinc/11/71/56/635117156.db2.gz ZEFKBHRARIPVOL-HIFRSBDPSA-N 2 1 262.397 2.297 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000903439973 635118691 /nfs/dbraw/zinc/11/86/91/635118691.db2.gz RVWBEBJXPJPSQL-ZOBORPQBSA-N 2 1 254.418 2.249 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CCc1ccns1)CC[NH2+]CC2 ZINC000903459626 635125345 /nfs/dbraw/zinc/12/53/45/635125345.db2.gz MFZRUXUIAKPWQJ-LBPRGKRZSA-N 2 1 265.426 2.150 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)C1 ZINC000903464146 635128172 /nfs/dbraw/zinc/12/81/72/635128172.db2.gz BEAKRKDUKXYIKI-XUWVNRHRSA-N 2 1 264.413 2.006 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903442086 635128186 /nfs/dbraw/zinc/12/81/86/635128186.db2.gz JBRIDJYAXHIXIQ-WBVHZDCISA-N 3 1 281.488 2.286 20 0 CEADMP COc1ccc([C@@H]2CC[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)cc1F ZINC000903474049 635144197 /nfs/dbraw/zinc/14/41/97/635144197.db2.gz GOCPTNRDLNMMSB-YUELXQCFSA-N 2 1 292.398 2.479 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@@H]1C(F)(F)F ZINC000903478657 635147760 /nfs/dbraw/zinc/14/77/60/635147760.db2.gz KOZYEEDROVTABD-NZFPMDFQSA-N 2 1 298.299 2.347 20 0 CEADMP Cc1ncsc1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484846 635151876 /nfs/dbraw/zinc/15/18/76/635151876.db2.gz WNKMDKRBIKLLEJ-CYBMUJFWSA-N 2 1 265.426 2.258 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000903491135 635156512 /nfs/dbraw/zinc/15/65/12/635156512.db2.gz XAVVDBQXBCBBMB-OUAUKWLOSA-N 2 1 280.309 2.208 20 0 CEADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494513 635157363 /nfs/dbraw/zinc/15/73/63/635157363.db2.gz IAOJWOYYAZQFBR-FPCVCCKLSA-N 2 1 295.471 2.083 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903716788 635230795 /nfs/dbraw/zinc/23/07/95/635230795.db2.gz SAXDWQFRELFWDU-QJPTWQEYSA-N 2 1 280.334 2.028 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903716788 635230800 /nfs/dbraw/zinc/23/08/00/635230800.db2.gz SAXDWQFRELFWDU-QJPTWQEYSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903716978 635231309 /nfs/dbraw/zinc/23/13/09/635231309.db2.gz FPOOPHCZVOGVHT-LXTVHRRPSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@H+](Cc1cccs1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717896 635231976 /nfs/dbraw/zinc/23/19/76/635231976.db2.gz FNHXJYMBKCZNDV-CYBMUJFWSA-N 2 1 280.437 2.339 20 0 CEADMP C(C[NH+]1CCC([NH2+]CC2CC2)CC1)OC1CCSCC1 ZINC000903717807 635232682 /nfs/dbraw/zinc/23/26/82/635232682.db2.gz XDFMESUKBSUSCN-UHFFFAOYSA-N 2 1 298.496 2.363 20 0 CEADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+](C1CC1)C1CCCC1 ZINC000903722689 635236006 /nfs/dbraw/zinc/23/60/06/635236006.db2.gz DDAJLUZDQAFRFZ-HZPDHXFCSA-N 2 1 264.413 2.162 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CCc2ccccc21 ZINC000903724153 635237582 /nfs/dbraw/zinc/23/75/82/635237582.db2.gz LLAVOGRQKBRDML-CGTJXYLNSA-N 2 1 286.419 2.374 20 0 CEADMP C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C(C1CC1)C1CC1 ZINC000903725806 635238717 /nfs/dbraw/zinc/23/87/17/635238717.db2.gz HUOSZCCBTNVMIN-OAHLLOKOSA-N 2 1 278.440 2.266 20 0 CEADMP CC(C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903728394 635239963 /nfs/dbraw/zinc/23/99/63/635239963.db2.gz AJEDPFXJRXNPTP-HRCADAONSA-N 2 1 266.429 2.123 20 0 CEADMP Cc1cccc2c1CC[N@@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903728989 635240493 /nfs/dbraw/zinc/24/04/93/635240493.db2.gz IYUDUTPHHSMSQX-AEFFLSMTSA-N 2 1 286.419 2.122 20 0 CEADMP C[N@@H+](C[C@H]1CCCC[NH2+]C1)[C@@H](CCO)c1ccccc1 ZINC000903729745 635241748 /nfs/dbraw/zinc/24/17/48/635241748.db2.gz RNSUPSYHQDMLHW-RDJZCZTQSA-N 2 1 276.424 2.432 20 0 CEADMP CSCC[C@H](C)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903731765 635241793 /nfs/dbraw/zinc/24/17/93/635241793.db2.gz CNDPYYXZBHUNMS-UONOGXRCSA-N 2 1 286.485 2.219 20 0 CEADMP C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)OC1CCSCC1 ZINC000903753027 635249500 /nfs/dbraw/zinc/24/95/00/635249500.db2.gz YKGOIQJTTSKZEP-ZBFHGGJFSA-N 2 1 298.496 2.363 20 0 CEADMP Fc1cccc([C@@H]2CC[N@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903733915 635250816 /nfs/dbraw/zinc/25/08/16/635250816.db2.gz MWAAFTOSGPOZMX-ULQDDVLXSA-N 2 1 290.382 2.341 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCCC[NH2+]C2)C[C@@H]1C ZINC000903738999 635252608 /nfs/dbraw/zinc/25/26/08/635252608.db2.gz APJNFWGAFGEPME-XHSDSOJGSA-N 3 1 267.461 2.181 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)OC1CCSCC1 ZINC000903740258 635253242 /nfs/dbraw/zinc/25/32/42/635253242.db2.gz FJBAAWWQYGWOAX-GDBMZVCRSA-N 2 1 298.496 2.363 20 0 CEADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000903764670 635256904 /nfs/dbraw/zinc/25/69/04/635256904.db2.gz UXNQHAWPMPXAAQ-XHSDSOJGSA-N 2 1 278.440 2.410 20 0 CEADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000903763031 635257449 /nfs/dbraw/zinc/25/74/49/635257449.db2.gz HDCUKQSWCSFNOE-FZKCQIBNSA-N 2 1 264.413 2.020 20 0 CEADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903766084 635258800 /nfs/dbraw/zinc/25/88/00/635258800.db2.gz OEBGCWQRNWRXMF-BMRXWSCTSA-N 2 1 264.413 2.018 20 0 CEADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCCC2(CC2)CC1 ZINC000903776828 635264631 /nfs/dbraw/zinc/26/46/31/635264631.db2.gz WPBNCJUCFWADOL-ZBFHGGJFSA-N 2 1 264.413 2.021 20 0 CEADMP C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903781707 635267250 /nfs/dbraw/zinc/26/72/50/635267250.db2.gz UZRQGJOMKMBAIB-WMZOPIPTSA-N 2 1 299.418 2.368 20 0 CEADMP COC(=O)CCCC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903811287 635285343 /nfs/dbraw/zinc/28/53/43/635285343.db2.gz KTXFAAYYIMIQKX-CQSZACIVSA-N 2 1 282.428 2.313 20 0 CEADMP CC(C)COC[C@H](O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812100 635286315 /nfs/dbraw/zinc/28/63/15/635286315.db2.gz PQXQKDZCUUPLSR-CVEARBPZSA-N 2 1 298.471 2.003 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]([C@@H](C)C(C)C)C2CC2)cnn1C ZINC000903873593 635320724 /nfs/dbraw/zinc/32/07/24/635320724.db2.gz UKETZEIWNLQYCX-ZFWWWQNUSA-N 2 1 292.471 2.355 20 0 CEADMP C[C@@H]([N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1)C(C)(C)C ZINC000903883930 635325842 /nfs/dbraw/zinc/32/58/42/635325842.db2.gz MKVPKWWQCQWDBR-CHWSQXEVSA-N 2 1 279.432 2.069 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@H]2C(C)C)cnn1C ZINC000903895603 635332325 /nfs/dbraw/zinc/33/23/25/635332325.db2.gz OTCATNQGNZDDTC-WBVHZDCISA-N 2 1 292.471 2.356 20 0 CEADMP c1cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c2c(c1)C[NH2+]CC2 ZINC000903909224 635342774 /nfs/dbraw/zinc/34/27/74/635342774.db2.gz CTNBAGPGBMDNGW-DOTOQJQBSA-N 2 1 286.419 2.191 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903911074 635343953 /nfs/dbraw/zinc/34/39/53/635343953.db2.gz WFFOLPIKGMXHIK-CSNJMZFVSA-N 3 1 291.483 2.181 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903911074 635343959 /nfs/dbraw/zinc/34/39/59/635343959.db2.gz WFFOLPIKGMXHIK-CSNJMZFVSA-N 3 1 291.483 2.181 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903911074 635343962 /nfs/dbraw/zinc/34/39/62/635343962.db2.gz WFFOLPIKGMXHIK-CSNJMZFVSA-N 3 1 291.483 2.181 20 0 CEADMP C[C@@H](O)C[C@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903909974 635345042 /nfs/dbraw/zinc/34/50/42/635345042.db2.gz YTDZHKLXWBTLRP-MOTUXRJWSA-N 2 1 266.429 2.142 20 0 CEADMP C[C@H](COc1cccc(F)c1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903922325 635349997 /nfs/dbraw/zinc/34/99/97/635349997.db2.gz VHUOOSFOODBZTG-KOLCDFICSA-N 2 1 276.302 2.165 20 0 CEADMP Cc1ccc2nc(C[NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)[nH]c2c1 ZINC000903925232 635352253 /nfs/dbraw/zinc/35/22/53/635352253.db2.gz MQFZDZBTOJUPLI-AGUYFDCRSA-N 2 1 284.407 2.492 20 0 CEADMP CCOCc1ccccc1C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903925974 635352810 /nfs/dbraw/zinc/35/28/10/635352810.db2.gz QIEGFLGLKJDSNE-ZDUSSCGKSA-N 2 1 272.339 2.295 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1cccc(Cn2cccn2)c1)CC(F)F ZINC000903927031 635353932 /nfs/dbraw/zinc/35/39/32/635353932.db2.gz WVOFZSQHZLNKSB-CQSZACIVSA-N 2 1 294.349 2.004 20 0 CEADMP O[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C1CCCC1 ZINC000903929078 635355836 /nfs/dbraw/zinc/35/58/36/635355836.db2.gz AFEVTYGCQGNBIB-HMGCCCKFSA-N 2 1 292.467 2.390 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000903953173 635386174 /nfs/dbraw/zinc/38/61/74/635386174.db2.gz BOUCJORECVFYNJ-XRMFNRFGSA-N 2 1 264.413 2.018 20 0 CEADMP CC1(C)CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973140 635391316 /nfs/dbraw/zinc/39/13/16/635391316.db2.gz OYOPLBZRJDZVMH-UONOGXRCSA-N 2 1 266.429 2.313 20 0 CEADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1F ZINC000903963929 635397727 /nfs/dbraw/zinc/39/77/27/635397727.db2.gz JVEYJTBAHDTNNA-YWPYICTPSA-N 2 1 280.387 2.210 20 0 CEADMP C[C@@]1(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)CCC[NH2+]C1 ZINC000904312950 635560028 /nfs/dbraw/zinc/56/00/28/635560028.db2.gz VNBOHWFQBIGMRG-QWHCGFSZSA-N 2 1 294.361 2.419 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)CCC[NH2+]C1 ZINC000904312950 635560031 /nfs/dbraw/zinc/56/00/31/635560031.db2.gz VNBOHWFQBIGMRG-QWHCGFSZSA-N 2 1 294.361 2.419 20 0 CEADMP COc1ccc2c(c1)C[N@@H+](C[C@]1(C)CCC[NH2+]C1)CC2 ZINC000904313795 635561785 /nfs/dbraw/zinc/56/17/85/635561785.db2.gz KESJCCLGJSJYBS-QGZVFWFLSA-N 2 1 274.408 2.443 20 0 CEADMP COc1ccc2c(c1)C[N@H+](C[C@]1(C)CCC[NH2+]C1)CC2 ZINC000904313795 635561788 /nfs/dbraw/zinc/56/17/88/635561788.db2.gz KESJCCLGJSJYBS-QGZVFWFLSA-N 2 1 274.408 2.443 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cn1 ZINC000825130961 635575618 /nfs/dbraw/zinc/57/56/18/635575618.db2.gz HPIQCKQCZYOYMS-HZPDHXFCSA-N 2 1 298.390 2.233 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000904368736 635591153 /nfs/dbraw/zinc/59/11/53/635591153.db2.gz MTHDQARANBZKDT-JKSUJKDBSA-N 2 1 278.440 2.333 20 0 CEADMP C[C@H](CO)C1CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904375635 635600134 /nfs/dbraw/zinc/60/01/34/635600134.db2.gz CXJOLQCBDMUPLN-HIFRSBDPSA-N 2 1 270.461 2.480 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000904378437 635603546 /nfs/dbraw/zinc/60/35/46/635603546.db2.gz CQEKONAPBHLCHN-VNHYZAJKSA-N 2 1 254.418 2.108 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000904378437 635603548 /nfs/dbraw/zinc/60/35/48/635603548.db2.gz CQEKONAPBHLCHN-VNHYZAJKSA-N 2 1 254.418 2.108 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)C1 ZINC000904386191 635608319 /nfs/dbraw/zinc/60/83/19/635608319.db2.gz RMIJHORFEHHXGO-YFKTTZPYSA-N 2 1 262.319 2.388 20 0 CEADMP COc1ccc2nc(C[N@H+]3CC[C@@H](CC[NH3+])C3)sc2c1 ZINC000904404750 635611243 /nfs/dbraw/zinc/61/12/43/635611243.db2.gz FLDCOJXQPMOCKH-LLVKDONJSA-N 2 1 291.420 2.476 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CC[C@H](CC[NH3+])C1)O[C@@H](C)C2 ZINC000904409905 635615332 /nfs/dbraw/zinc/61/53/32/635615332.db2.gz KOLLPYUTBHUWDT-STQMWFEESA-N 2 1 290.407 2.189 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc([C@H]3CCCO3)s2)CC[C@@H]1C[NH3+] ZINC000904410060 635616419 /nfs/dbraw/zinc/61/64/19/635616419.db2.gz CEEJGCXJQMHMMW-YRGRVCCFSA-N 2 1 295.452 2.411 20 0 CEADMP CCc1ncc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)s1 ZINC000904410794 635617192 /nfs/dbraw/zinc/61/71/92/635617192.db2.gz IJXLVULVEIQQPE-WDEREUQCSA-N 2 1 253.415 2.122 20 0 CEADMP CCc1cnc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)s1 ZINC000904411420 635619471 /nfs/dbraw/zinc/61/94/71/635619471.db2.gz MKWAOIJWZGRVCE-GHMZBOCLSA-N 2 1 253.415 2.122 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1OC ZINC000904412097 635620360 /nfs/dbraw/zinc/62/03/60/635620360.db2.gz PULNCFZBHVGCIB-CHWSQXEVSA-N 2 1 278.396 2.121 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1OC ZINC000904412100 635620520 /nfs/dbraw/zinc/62/05/20/635620520.db2.gz PULNCFZBHVGCIB-STQMWFEESA-N 2 1 278.396 2.121 20 0 CEADMP CC[C@@](O)(C[NH2+]C[C@H]1CC[N@@H+](CC(C)C)C1)C(F)(F)F ZINC000905161179 635863147 /nfs/dbraw/zinc/86/31/47/635863147.db2.gz UYRPBMGPRNWWNR-CHWSQXEVSA-N 2 1 296.377 2.257 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1C[C@H]([NH3+])C1 ZINC000906518480 636765769 /nfs/dbraw/zinc/76/57/69/636765769.db2.gz YRDABZFTNWJHSP-WKILWMFISA-N 2 1 275.440 2.224 20 0 CEADMP CCCCCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830638177 637120168 /nfs/dbraw/zinc/12/01/68/637120168.db2.gz UKRVWNORZOCFSY-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000834703577 637924380 /nfs/dbraw/zinc/92/43/80/637924380.db2.gz NOCWZDKNLYOIGN-HNNXBMFYSA-N 2 1 283.460 2.086 20 0 CEADMP C[N@@H+](CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000834908695 637984578 /nfs/dbraw/zinc/98/45/78/637984578.db2.gz GWBRKCQRYJQCDR-VHRNVKJDSA-N 3 1 265.445 2.076 20 0 CEADMP C[NH+](CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000834908695 637984586 /nfs/dbraw/zinc/98/45/86/637984586.db2.gz GWBRKCQRYJQCDR-VHRNVKJDSA-N 3 1 265.445 2.076 20 0 CEADMP C[NH+](CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000834908695 637984590 /nfs/dbraw/zinc/98/45/90/637984590.db2.gz GWBRKCQRYJQCDR-VHRNVKJDSA-N 3 1 265.445 2.076 20 0 CEADMP CN1[C@@H]2CC[C@H]1CC([NH2+]CCCC[N@H+](C)C1CC1)C2 ZINC000834908695 637984596 /nfs/dbraw/zinc/98/45/96/637984596.db2.gz GWBRKCQRYJQCDR-VHRNVKJDSA-N 2 1 265.445 2.076 20 0 CEADMP CN1[C@@H]2CC[C@H]1CC([NH2+]CCCC[N@@H+](C)C1CC1)C2 ZINC000834908695 637984598 /nfs/dbraw/zinc/98/45/98/637984598.db2.gz GWBRKCQRYJQCDR-VHRNVKJDSA-N 2 1 265.445 2.076 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)C1CCCCC1 ZINC000876723494 650410484 /nfs/dbraw/zinc/41/04/84/650410484.db2.gz CCOZXFRNGWYHOE-LSDHHAIUSA-N 2 1 295.471 2.131 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)c2csc([C@H](C)[NH3+])n2)c1 ZINC000911691816 638360738 /nfs/dbraw/zinc/36/07/38/638360738.db2.gz CWYFPIOJSVKUJV-VIFPVBQESA-N 2 1 290.392 2.135 20 0 CEADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)CC2 ZINC000911844927 638441730 /nfs/dbraw/zinc/44/17/30/638441730.db2.gz HCAFUXJGURCODC-BXUZGUMPSA-N 2 1 298.390 2.412 20 0 CEADMP CCCOc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000876818385 650445866 /nfs/dbraw/zinc/44/58/66/650445866.db2.gz TXMBIXWKYKGECM-HOTGVXAUSA-N 2 1 274.408 2.435 20 0 CEADMP CC1(C)CCC[N@H+]1CCNC(=O)CCCC[NH+]1CCCC1 ZINC000837177567 639096105 /nfs/dbraw/zinc/09/61/05/639096105.db2.gz RVEVQCONCDBUBJ-UHFFFAOYSA-N 2 1 295.471 2.243 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC000837186020 639099827 /nfs/dbraw/zinc/09/98/27/639099827.db2.gz MEZKCWSROUGFBW-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)[C@@H]1CCC[NH+](C)C1 ZINC000151133818 639204526 /nfs/dbraw/zinc/20/45/26/639204526.db2.gz AOOIBDNYUGRKSW-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000151133818 639204527 /nfs/dbraw/zinc/20/45/27/639204527.db2.gz AOOIBDNYUGRKSW-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000151133818 639204531 /nfs/dbraw/zinc/20/45/31/639204531.db2.gz AOOIBDNYUGRKSW-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000227735101 639603024 /nfs/dbraw/zinc/60/30/24/639603024.db2.gz DWIHQEWTBLPQTC-LSDHHAIUSA-N 2 1 250.386 2.025 20 0 CEADMP [NH3+]CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000841009413 639616641 /nfs/dbraw/zinc/61/66/41/639616641.db2.gz OENGOIPPQYNFND-CABCVRRESA-N 2 1 266.360 2.062 20 0 CEADMP CO[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](C)C1 ZINC000312195731 640005563 /nfs/dbraw/zinc/00/55/63/640005563.db2.gz FNDCPRHQNLDLLN-CJNGLKHVSA-N 2 1 274.408 2.332 20 0 CEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccccc1Cl ZINC000842471784 640070635 /nfs/dbraw/zinc/07/06/35/640070635.db2.gz ZUIIKRFCBDYDJT-LBPRGKRZSA-N 2 1 295.814 2.210 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000842478661 640078520 /nfs/dbraw/zinc/07/85/20/640078520.db2.gz LKSUEDKSJOJRQX-HRCADAONSA-N 2 1 297.487 2.378 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000842478661 640078525 /nfs/dbraw/zinc/07/85/25/640078525.db2.gz LKSUEDKSJOJRQX-HRCADAONSA-N 2 1 297.487 2.378 20 0 CEADMP CC[N@H+](C[C@@H](O)c1ccc(C)cc1)CC(C)(C)[NH3+] ZINC000843063004 640265112 /nfs/dbraw/zinc/26/51/12/640265112.db2.gz VDNRFAQDWKGALC-CQSZACIVSA-N 2 1 250.386 2.088 20 0 CEADMP CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)CC(C)(C)[NH3+] ZINC000843063004 640265114 /nfs/dbraw/zinc/26/51/14/640265114.db2.gz VDNRFAQDWKGALC-CQSZACIVSA-N 2 1 250.386 2.088 20 0 CEADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCCCC[NH3+] ZINC000843344337 640395874 /nfs/dbraw/zinc/39/58/74/640395874.db2.gz WHKXFHSDBBANLL-GDBMZVCRSA-N 2 1 263.429 2.054 20 0 CEADMP C[N@@H+](CC(=O)NC1CCCCCCC1)C1CCC([NH3+])CC1 ZINC000843354007 640400576 /nfs/dbraw/zinc/40/05/76/640400576.db2.gz QHNZDNPDBOQCCM-UHFFFAOYSA-N 2 1 295.471 2.417 20 0 CEADMP CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC000843358902 640402716 /nfs/dbraw/zinc/40/27/16/640402716.db2.gz BQUCNZBZBWQWHH-YOEHRIQHSA-N 2 1 294.414 2.427 20 0 CEADMP Clc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)nc1 ZINC000843364433 640405564 /nfs/dbraw/zinc/40/55/64/640405564.db2.gz CQCWBBCPOFYRJR-UHFFFAOYSA-N 2 1 265.788 2.311 20 0 CEADMP C[C@H](CNC(=O)CCCCCC[NH3+])[N@H+]1CCCC[C@H]1C ZINC000844172258 640623101 /nfs/dbraw/zinc/62/31/01/640623101.db2.gz SFAREYZGSGZCME-HUUCEWRRSA-N 2 1 283.460 2.275 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc4n(n3)CCC4)C2)CC1 ZINC000844325634 640679879 /nfs/dbraw/zinc/67/98/79/640679879.db2.gz WEPUXMJUQBICMB-UHFFFAOYSA-N 2 1 288.439 2.137 20 0 CEADMP Cn1cncc1CC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844444023 640727739 /nfs/dbraw/zinc/72/77/39/640727739.db2.gz NNXDOLRIJQPULS-LBPRGKRZSA-N 2 1 255.312 2.084 20 0 CEADMP C[N@@H+](CCCCc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000917009563 640837617 /nfs/dbraw/zinc/83/76/17/640837617.db2.gz WAIPUFHQIWEIED-SFHVURJKSA-N 2 1 290.451 2.398 20 0 CEADMP CC1CC(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)C1 ZINC000930059215 641014274 /nfs/dbraw/zinc/01/42/74/641014274.db2.gz ARFNIXLCEHAQIN-UIEKQHFFSA-N 2 1 266.429 2.216 20 0 CEADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000845935280 641132503 /nfs/dbraw/zinc/13/25/03/641132503.db2.gz MVOBKHZRUWESJV-XUWVNRHRSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000845935280 641132508 /nfs/dbraw/zinc/13/25/08/641132508.db2.gz MVOBKHZRUWESJV-XUWVNRHRSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000845997197 641146636 /nfs/dbraw/zinc/14/66/36/641146636.db2.gz WYPNNSRQFNBOKY-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000920762923 641198711 /nfs/dbraw/zinc/19/87/11/641198711.db2.gz NLLYVVYYZIIHBI-MRXNPFEDSA-N 2 1 295.471 2.101 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000846176795 641213328 /nfs/dbraw/zinc/21/33/28/641213328.db2.gz IQOUESDPZQLCKW-UHFFFAOYSA-N 2 1 284.444 2.240 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000846219713 641220554 /nfs/dbraw/zinc/22/05/54/641220554.db2.gz WMINMUSEBKOCFJ-HNNXBMFYSA-N 2 1 254.418 2.398 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCCCC[NH3+])C1 ZINC000846220612 641228782 /nfs/dbraw/zinc/22/87/82/641228782.db2.gz RMIHUKAMMDIOHM-MRXNPFEDSA-N 3 1 267.461 2.169 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000846220612 641228792 /nfs/dbraw/zinc/22/87/92/641228792.db2.gz RMIHUKAMMDIOHM-MRXNPFEDSA-N 3 1 267.461 2.169 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846220612 641228797 /nfs/dbraw/zinc/22/87/97/641228797.db2.gz RMIHUKAMMDIOHM-MRXNPFEDSA-N 3 1 267.461 2.169 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+](CCCCCC[NH3+])CC(N)=O ZINC000846219776 641229029 /nfs/dbraw/zinc/22/90/29/641229029.db2.gz WSQKAZWHIVJWBB-CQSZACIVSA-N 2 1 277.412 2.054 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCC[NH3+])C[C@@H]1C ZINC000846220886 641229187 /nfs/dbraw/zinc/22/91/87/641229187.db2.gz XCBKUNIYHZWLBI-LSDHHAIUSA-N 3 1 255.450 2.310 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCC[NH3+])C[C@@H]1C ZINC000846220886 641229191 /nfs/dbraw/zinc/22/91/91/641229191.db2.gz XCBKUNIYHZWLBI-LSDHHAIUSA-N 2 1 255.450 2.310 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCC[NH3+])C[C@@H]1C ZINC000846220886 641229197 /nfs/dbraw/zinc/22/91/97/641229197.db2.gz XCBKUNIYHZWLBI-LSDHHAIUSA-N 2 1 255.450 2.310 20 0 CEADMP CCN1CC[C@@H]([N@H+](C)CCCCCC[NH3+])C[C@@H]1C ZINC000846220886 641229199 /nfs/dbraw/zinc/22/91/99/641229199.db2.gz XCBKUNIYHZWLBI-LSDHHAIUSA-N 2 1 255.450 2.310 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CCCCCC[NH3+])C[C@@H]1C ZINC000846220886 641229204 /nfs/dbraw/zinc/22/92/04/641229204.db2.gz XCBKUNIYHZWLBI-LSDHHAIUSA-N 2 1 255.450 2.310 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(CC)c1ccccc1 ZINC000846843472 641449715 /nfs/dbraw/zinc/44/97/15/641449715.db2.gz DKYVJPLRILOZLN-CVEARBPZSA-N 2 1 264.413 2.214 20 0 CEADMP C[N@H+]1CCC[C@]2(CCN(Cc3ccc4nonc4c3)C2)C1 ZINC000846922001 641484719 /nfs/dbraw/zinc/48/47/19/641484719.db2.gz BKDKDEXJSSALEQ-INIZCTEOSA-N 2 1 286.379 2.141 20 0 CEADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc4nonc4c3)C2)C1 ZINC000846922001 641484723 /nfs/dbraw/zinc/48/47/23/641484723.db2.gz BKDKDEXJSSALEQ-INIZCTEOSA-N 2 1 286.379 2.141 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc4nonc4c3)C2)C1 ZINC000846922001 641484730 /nfs/dbraw/zinc/48/47/30/641484730.db2.gz BKDKDEXJSSALEQ-INIZCTEOSA-N 2 1 286.379 2.141 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[NH+](C)C[C@@H]1CC ZINC000846988576 641511465 /nfs/dbraw/zinc/51/14/65/641511465.db2.gz MVRRHSOSQQTGIO-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@H+](C)C[C@@H]1CC ZINC000846988576 641511467 /nfs/dbraw/zinc/51/14/67/641511467.db2.gz MVRRHSOSQQTGIO-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC000846988576 641511471 /nfs/dbraw/zinc/51/14/71/641511471.db2.gz MVRRHSOSQQTGIO-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000252476502 641578738 /nfs/dbraw/zinc/57/87/38/641578738.db2.gz CLGQFDLQOOSFJD-BPQIPLTHSA-N 2 1 288.435 2.445 20 0 CEADMP Cc1ccccc1[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000252476502 641578739 /nfs/dbraw/zinc/57/87/39/641578739.db2.gz CLGQFDLQOOSFJD-BPQIPLTHSA-N 2 1 288.435 2.445 20 0 CEADMP Cc1ccccc1[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000252476502 641578742 /nfs/dbraw/zinc/57/87/42/641578742.db2.gz CLGQFDLQOOSFJD-BPQIPLTHSA-N 2 1 288.435 2.445 20 0 CEADMP C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185225323 641954017 /nfs/dbraw/zinc/95/40/17/641954017.db2.gz IAZFGYFSDYBOHL-IUODEOHRSA-N 2 1 289.379 2.342 20 0 CEADMP Cn1ncc2cc(C[N@H+]3CCCC34CC[NH+](C)CC4)cnc21 ZINC000877457892 650728013 /nfs/dbraw/zinc/72/80/13/650728013.db2.gz FVCZUHCYLDVKIC-UHFFFAOYSA-N 2 1 299.422 2.029 20 0 CEADMP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000848986826 642209674 /nfs/dbraw/zinc/20/96/74/642209674.db2.gz GLIXARHIVXYYJT-YNEHKIRRSA-N 2 1 254.422 2.162 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])NCCc1ccccc1 ZINC000848987734 642210009 /nfs/dbraw/zinc/21/00/09/642210009.db2.gz WIPKNUYMVWUIOP-UHFFFAOYSA-N 2 1 276.428 2.073 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000848996149 642215991 /nfs/dbraw/zinc/21/59/91/642215991.db2.gz HDJKNENFAZTVFW-MRXNPFEDSA-N 2 1 288.439 2.073 20 0 CEADMP CC(C)CCNC(=[NH2+])NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000849023881 642237840 /nfs/dbraw/zinc/23/78/40/642237840.db2.gz JFHMLSREGNTMHD-CYBMUJFWSA-N 2 1 268.449 2.267 20 0 CEADMP C[C@H](C[NH2+]Cc1c2c(nn1C)CCC2)C[NH+]1CCCCC1 ZINC000921561303 642246027 /nfs/dbraw/zinc/24/60/27/642246027.db2.gz CJCIZBWXANIXDG-CQSZACIVSA-N 2 1 290.455 2.120 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1CC(C)C ZINC000849040671 642251032 /nfs/dbraw/zinc/25/10/32/642251032.db2.gz PRGYKHPUSKDHDU-MGPQQGTHSA-N 2 1 266.433 2.019 20 0 CEADMP CC[N@@H+](CCCNC(=[NH2+])N1CCC1)C1CCCCC1 ZINC000849046778 642255535 /nfs/dbraw/zinc/25/55/35/642255535.db2.gz LFBOXXUZXFWQMA-UHFFFAOYSA-N 2 1 266.433 2.261 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4ncccc34)C[C@@H]2C1 ZINC000877483101 650743569 /nfs/dbraw/zinc/74/35/69/650743569.db2.gz LFSJMOFPYIXTTG-GASCZTMLSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4ncccc34)C[C@@H]2C1 ZINC000877483101 650743570 /nfs/dbraw/zinc/74/35/70/650743570.db2.gz LFSJMOFPYIXTTG-GASCZTMLSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc4ncccc34)C[C@@H]2C1 ZINC000877483101 650743571 /nfs/dbraw/zinc/74/35/71/650743571.db2.gz LFSJMOFPYIXTTG-GASCZTMLSA-N 2 1 267.376 2.228 20 0 CEADMP CCOC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000877473156 650737647 /nfs/dbraw/zinc/73/76/47/650737647.db2.gz DTIOIRYQNKPPLA-ZIAGYGMSSA-N 2 1 282.428 2.182 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]C(C)C)CC1 ZINC000997819896 642325271 /nfs/dbraw/zinc/32/52/71/642325271.db2.gz FCWLRRAUXDUXTR-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000850172452 642603040 /nfs/dbraw/zinc/60/30/40/642603040.db2.gz BQKBVONKMPPXEQ-ZIAGYGMSSA-N 2 1 276.428 2.260 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1=CC[NH+](C(C)C)CC1 ZINC001000661900 642636888 /nfs/dbraw/zinc/63/68/88/642636888.db2.gz HBEBUUQADJUMKU-MRXNPFEDSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC1=CC[N@@H+](C(C)C)CC1 ZINC001000661900 642636896 /nfs/dbraw/zinc/63/68/96/642636896.db2.gz HBEBUUQADJUMKU-MRXNPFEDSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC1=CC[N@H+](C(C)C)CC1 ZINC001000661900 642636897 /nfs/dbraw/zinc/63/68/97/642636897.db2.gz HBEBUUQADJUMKU-MRXNPFEDSA-N 2 1 293.455 2.016 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000850430700 642710653 /nfs/dbraw/zinc/71/06/53/642710653.db2.gz OMYDVEBIZMMBEJ-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP CON(C)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000850479716 642727360 /nfs/dbraw/zinc/72/73/60/642727360.db2.gz BYCXQUVEELQUQE-CYBMUJFWSA-N 2 1 288.395 2.325 20 0 CEADMP O=c1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH]1 ZINC000922076677 642866010 /nfs/dbraw/zinc/86/60/10/642866010.db2.gz LQFVWQJZNBGDJO-KRWDZBQOSA-N 2 1 297.402 2.399 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCO[C@H]2CCCCO2)CC1(C)C ZINC000922230721 642970413 /nfs/dbraw/zinc/97/04/13/642970413.db2.gz IPVULUGQNRSSKT-GJZGRUSLSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(F)n2)C1 ZINC000851800519 643169494 /nfs/dbraw/zinc/16/94/94/643169494.db2.gz ZZKSKZOPLJJLSU-HNNXBMFYSA-N 2 1 295.402 2.153 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(F)n2)C1 ZINC000851800519 643169495 /nfs/dbraw/zinc/16/94/95/643169495.db2.gz ZZKSKZOPLJJLSU-HNNXBMFYSA-N 2 1 295.402 2.153 20 0 CEADMP C[C@@H]([NH2+]CCOC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000851926726 643228174 /nfs/dbraw/zinc/22/81/74/643228174.db2.gz WKZYFXWMYNPUIO-NEPJUHHUSA-N 2 1 276.371 2.468 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC3(CCOCC3)O2)CC1(C)C ZINC000922813032 643274118 /nfs/dbraw/zinc/27/41/18/643274118.db2.gz UCSQKBXJQBEYIF-CABCVRRESA-N 2 1 296.455 2.177 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014719887 643390196 /nfs/dbraw/zinc/39/01/96/643390196.db2.gz AEEDKKLIMNLRLX-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014719887 643390202 /nfs/dbraw/zinc/39/02/02/643390202.db2.gz AEEDKKLIMNLRLX-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014719887 643390208 /nfs/dbraw/zinc/39/02/08/643390208.db2.gz AEEDKKLIMNLRLX-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP COCC[N@H+](Cc1ccc(F)cn1)CC1CC[NH+](C)CC1 ZINC000877664237 650839752 /nfs/dbraw/zinc/83/97/52/650839752.db2.gz KTLDALPLZFIGCP-UHFFFAOYSA-N 2 1 295.402 2.011 20 0 CEADMP COCC[N@H+](Cc1c(C)noc1C)CC1CC[NH+](C)CC1 ZINC000877665409 650840508 /nfs/dbraw/zinc/84/05/08/650840508.db2.gz UOLJIGVQORAWED-UHFFFAOYSA-N 2 1 295.427 2.082 20 0 CEADMP C[C@H](CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)(C)C ZINC000877669883 650842644 /nfs/dbraw/zinc/84/26/44/650842644.db2.gz CYZJJFBOFNDWET-BZUAXINKSA-N 2 1 283.504 2.340 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000852712539 643520678 /nfs/dbraw/zinc/52/06/78/643520678.db2.gz ROXDYOQCOKGKCE-RRFJBIMHSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000852712539 643520686 /nfs/dbraw/zinc/52/06/86/643520686.db2.gz ROXDYOQCOKGKCE-RRFJBIMHSA-N 2 1 254.418 2.096 20 0 CEADMP COC(=O)c1cc(C[N@@H+](C)C2CCC([NH3+])CC2)cs1 ZINC000852740319 643527792 /nfs/dbraw/zinc/52/77/92/643527792.db2.gz ARFSWWWYYZLWIO-UHFFFAOYSA-N 2 1 282.409 2.236 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000852744150 643529574 /nfs/dbraw/zinc/52/95/74/643529574.db2.gz SZDQOHZWQSYUKK-ZFWWWQNUSA-N 2 1 254.418 2.252 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCc2cccs2)CCO1 ZINC000852760518 643540352 /nfs/dbraw/zinc/54/03/52/643540352.db2.gz HFMMQKZCUXWZET-CQSZACIVSA-N 2 1 282.453 2.333 20 0 CEADMP C[C@@H]1CC[N@H+](CCC2SCCS2)[C@H](C[NH3+])C1 ZINC000853023064 643624446 /nfs/dbraw/zinc/62/44/46/643624446.db2.gz LZJORIFLRUVQCQ-MNOVXSKESA-N 2 1 260.472 2.242 20 0 CEADMP C[C@@H]1CC[N@@H+](CCC2SCCS2)[C@H](C[NH3+])C1 ZINC000853023064 643624448 /nfs/dbraw/zinc/62/44/48/643624448.db2.gz LZJORIFLRUVQCQ-MNOVXSKESA-N 2 1 260.472 2.242 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC1SCCS1 ZINC000853023497 643625338 /nfs/dbraw/zinc/62/53/38/643625338.db2.gz ZBNDAOULRLUJAM-LLVKDONJSA-N 2 1 262.488 2.488 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000923290581 643642792 /nfs/dbraw/zinc/64/27/92/643642792.db2.gz ZNFTXUQTYBYBNS-ZIBATOQPSA-N 2 1 284.350 2.057 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000923290581 643642796 /nfs/dbraw/zinc/64/27/96/643642796.db2.gz ZNFTXUQTYBYBNS-ZIBATOQPSA-N 2 1 284.350 2.057 20 0 CEADMP C[N@H+](CCC[NH3+])C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000923292113 643645485 /nfs/dbraw/zinc/64/54/85/643645485.db2.gz SXEQBQSESWINKZ-GFCCVEGCSA-N 2 1 277.195 2.307 20 0 CEADMP C[N@@H+](CCC[NH3+])C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000923292113 643645487 /nfs/dbraw/zinc/64/54/87/643645487.db2.gz SXEQBQSESWINKZ-GFCCVEGCSA-N 2 1 277.195 2.307 20 0 CEADMP Fc1ccc(C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C2CC2)cc1 ZINC000923302477 643650312 /nfs/dbraw/zinc/65/03/12/643650312.db2.gz STGFRBLIUCBIMZ-MRXNPFEDSA-N 2 1 290.382 2.169 20 0 CEADMP CC(C)[N@H+](Cc1cccs1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303094 643650607 /nfs/dbraw/zinc/65/06/07/643650607.db2.gz ICBUSCRBDXYAJW-ZDUSSCGKSA-N 2 1 280.437 2.337 20 0 CEADMP Fc1cccc(C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C2CC2)c1 ZINC000923303264 643650817 /nfs/dbraw/zinc/65/08/17/643650817.db2.gz AZLXTZYYFBVJNY-MRXNPFEDSA-N 2 1 290.382 2.169 20 0 CEADMP C[C@@H](c1cccs1)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306830 643653134 /nfs/dbraw/zinc/65/31/34/643653134.db2.gz NNYZQGIQVCNOGQ-NWDGAFQWSA-N 2 1 266.410 2.119 20 0 CEADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316304 643654720 /nfs/dbraw/zinc/65/47/20/643654720.db2.gz GYLOGWQGDFPBEG-PVAVHDDUSA-N 2 1 286.419 2.243 20 0 CEADMP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923310663 643658805 /nfs/dbraw/zinc/65/88/05/643658805.db2.gz WMFFKKOZTMBYOD-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329471 643661337 /nfs/dbraw/zinc/66/13/37/643661337.db2.gz KCEWVJVDSZBZDT-DBPPKFAGSA-N 3 1 277.456 2.251 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329471 643661340 /nfs/dbraw/zinc/66/13/40/643661340.db2.gz KCEWVJVDSZBZDT-DBPPKFAGSA-N 3 1 277.456 2.251 20 0 CEADMP Cc1nn(C)c(C)c1C[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923323482 643662505 /nfs/dbraw/zinc/66/25/05/643662505.db2.gz HEMIGSPQPGBTDQ-MQVJKMGUSA-N 2 1 290.455 2.389 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923322207 643662562 /nfs/dbraw/zinc/66/25/62/643662562.db2.gz MNBDGWLCVQRKKP-UHFFFAOYSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)[N@H+](C)CC1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923322207 643662564 /nfs/dbraw/zinc/66/25/64/643662564.db2.gz MNBDGWLCVQRKKP-UHFFFAOYSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923322207 643662566 /nfs/dbraw/zinc/66/25/66/643662566.db2.gz MNBDGWLCVQRKKP-UHFFFAOYSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923333095 643665397 /nfs/dbraw/zinc/66/53/97/643665397.db2.gz UBNNNCUXMWBCTO-GDIGMMSISA-N 2 1 298.430 2.412 20 0 CEADMP C[N@H+](C[C@H](O)c1ccc(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000923333576 643666215 /nfs/dbraw/zinc/66/62/15/643666215.db2.gz AZYCENMPEGUFSX-WFASDCNBSA-N 2 1 284.350 2.072 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000923333576 643666219 /nfs/dbraw/zinc/66/62/19/643666219.db2.gz AZYCENMPEGUFSX-WFASDCNBSA-N 2 1 284.350 2.072 20 0 CEADMP CC[N@@H+](C[C@H](O)CCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000923337016 643669133 /nfs/dbraw/zinc/66/91/33/643669133.db2.gz WSEBPXFSXDJSGU-ZWKOTPCHSA-N 2 1 290.451 2.444 20 0 CEADMP CCCCCC[C@@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923349250 643672415 /nfs/dbraw/zinc/67/24/15/643672415.db2.gz RFAYVDOTTSGJPO-HUUCEWRRSA-N 2 1 256.434 2.379 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000923348440 643672545 /nfs/dbraw/zinc/67/25/45/643672545.db2.gz HBYKFAGUHFWMCQ-IRXDYDNUSA-N 2 1 276.424 2.041 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000923354663 643678472 /nfs/dbraw/zinc/67/84/72/643678472.db2.gz CWDGUHQTSUBOFG-IAGOWNOFSA-N 2 1 274.408 2.104 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000923363534 643679450 /nfs/dbraw/zinc/67/94/50/643679450.db2.gz ZWMJDMAWNJLHLH-CHWSQXEVSA-N 2 1 263.385 2.059 20 0 CEADMP O[C@H](C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000923364206 643679973 /nfs/dbraw/zinc/67/99/73/643679973.db2.gz JMAAEOZXRHCGLP-HYVNUMGLSA-N 2 1 292.398 2.323 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923356803 643680004 /nfs/dbraw/zinc/68/00/04/643680004.db2.gz URLAMZWWNSECTE-MOPGFXCFSA-N 2 1 298.430 2.414 20 0 CEADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000923368768 643681873 /nfs/dbraw/zinc/68/18/73/643681873.db2.gz SQMZHIRJGJGHPE-GDBMZVCRSA-N 2 1 294.439 2.006 20 0 CEADMP CC[C@H]1Cc2ccccc2C[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923370133 643682802 /nfs/dbraw/zinc/68/28/02/643682802.db2.gz BYEZUUCCRBGZBA-IRXDYDNUSA-N 2 1 286.419 2.202 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)C1CCCCC1 ZINC000923374518 643684823 /nfs/dbraw/zinc/68/48/23/643684823.db2.gz UCJFFHXOARGTMF-HZPDHXFCSA-N 2 1 298.377 2.495 20 0 CEADMP C(C1CCCC1)[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923390259 643690325 /nfs/dbraw/zinc/69/03/25/643690325.db2.gz VBUAMFUEFTZOHG-HOTGVXAUSA-N 2 1 278.440 2.410 20 0 CEADMP Cc1noc([C@H](C)[N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923387564 643692803 /nfs/dbraw/zinc/69/28/03/643692803.db2.gz MCCRZEIZEXSBGU-HLVVYCRESA-N 2 1 278.400 2.292 20 0 CEADMP Cc1noc([C@H](C)[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923387564 643692804 /nfs/dbraw/zinc/69/28/04/643692804.db2.gz MCCRZEIZEXSBGU-HLVVYCRESA-N 2 1 278.400 2.292 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000923388748 643693437 /nfs/dbraw/zinc/69/34/37/643693437.db2.gz RCUOONWZCFJUAZ-LUKYLMHMSA-N 2 1 298.471 2.002 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)CCc2ccccc2)[C@@H]1CC[NH3+] ZINC000923389371 643693619 /nfs/dbraw/zinc/69/36/19/643693619.db2.gz XCAQRTHJEIETDC-BPQIPLTHSA-N 2 1 290.451 2.429 20 0 CEADMP C(C1CCC1)[C@H]1CCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923394540 643694838 /nfs/dbraw/zinc/69/48/38/643694838.db2.gz CXGZKWUATRZGDH-HZPDHXFCSA-N 2 1 278.440 2.410 20 0 CEADMP C[N@H+](C[C@H](O)COc1ccccc1)C1(C[NH3+])CCCCC1 ZINC000923423065 643703308 /nfs/dbraw/zinc/70/33/08/643703308.db2.gz PTFADIJCGBFKKL-HNNXBMFYSA-N 2 1 292.423 2.020 20 0 CEADMP C[N@@H+](C[C@H](O)COc1ccccc1)C1(C[NH3+])CCCCC1 ZINC000923423065 643703310 /nfs/dbraw/zinc/70/33/10/643703310.db2.gz PTFADIJCGBFKKL-HNNXBMFYSA-N 2 1 292.423 2.020 20 0 CEADMP Cc1ccccc1-c1noc(C[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000923487229 643729986 /nfs/dbraw/zinc/72/99/86/643729986.db2.gz BGASKTJENUIKBE-ZDUSSCGKSA-N 2 1 286.379 2.216 20 0 CEADMP C[C@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923504722 643743253 /nfs/dbraw/zinc/74/32/53/643743253.db2.gz UMZLZBBCVJIFHI-QWHCGFSZSA-N 2 1 266.360 2.121 20 0 CEADMP Cc1nnc([C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)[nH]1 ZINC000923505393 643743501 /nfs/dbraw/zinc/74/35/01/643743501.db2.gz ANWRRBYMURZWSU-JSGCOSHPSA-N 2 1 291.443 2.276 20 0 CEADMP COc1cccc(SCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923521202 643749372 /nfs/dbraw/zinc/74/93/72/643749372.db2.gz KFQASROYEZOFHN-UONOGXRCSA-N 2 1 292.448 2.329 20 0 CEADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923525356 643750286 /nfs/dbraw/zinc/75/02/86/643750286.db2.gz FVOLZFBSDPKQJM-OWCLPIDISA-N 2 1 276.424 2.018 20 0 CEADMP Cc1ccncc1CCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877740188 650883038 /nfs/dbraw/zinc/88/30/38/650883038.db2.gz IXSFULMSWDTHAK-IRXDYDNUSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccncc1CCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877740188 650883041 /nfs/dbraw/zinc/88/30/41/650883041.db2.gz IXSFULMSWDTHAK-IRXDYDNUSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccncc1CCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877740188 650883042 /nfs/dbraw/zinc/88/30/42/650883042.db2.gz IXSFULMSWDTHAK-IRXDYDNUSA-N 2 1 273.424 2.349 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)CC[C@@H]21 ZINC000877741349 650886035 /nfs/dbraw/zinc/88/60/35/650886035.db2.gz AQGNXLIXLAXTGS-PBHICJAKSA-N 2 1 272.392 2.243 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)CC[C@@H]21 ZINC000877741349 650886038 /nfs/dbraw/zinc/88/60/38/650886038.db2.gz AQGNXLIXLAXTGS-PBHICJAKSA-N 2 1 272.392 2.243 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)CC[C@@H]21 ZINC000877741349 650886040 /nfs/dbraw/zinc/88/60/40/650886040.db2.gz AQGNXLIXLAXTGS-PBHICJAKSA-N 2 1 272.392 2.243 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)CC[C@@H]21 ZINC000877741349 650886043 /nfs/dbraw/zinc/88/60/43/650886043.db2.gz AQGNXLIXLAXTGS-PBHICJAKSA-N 2 1 272.392 2.243 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]C[C@@H](CC)[NH+]1CCCC1 ZINC000838897565 644073946 /nfs/dbraw/zinc/07/39/46/644073946.db2.gz HCOYKWBSDNTESH-CQSZACIVSA-N 2 1 284.444 2.430 20 0 CEADMP COC(=O)/C(C)=C/C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754465512 644377151 /nfs/dbraw/zinc/37/71/51/644377151.db2.gz OZZPOBZDZAILNK-UXHADMKASA-N 2 1 294.439 2.348 20 0 CEADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCF)C2)ccn1 ZINC000856603383 644697750 /nfs/dbraw/zinc/69/77/50/644697750.db2.gz JELFFCSMKFTTGO-INIZCTEOSA-N 2 1 295.402 2.344 20 0 CEADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCF)C2)ccn1 ZINC000856603383 644697752 /nfs/dbraw/zinc/69/77/52/644697752.db2.gz JELFFCSMKFTTGO-INIZCTEOSA-N 2 1 295.402 2.344 20 0 CEADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCF)C2)ccn1 ZINC000856603383 644697757 /nfs/dbraw/zinc/69/77/57/644697757.db2.gz JELFFCSMKFTTGO-INIZCTEOSA-N 2 1 295.402 2.344 20 0 CEADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCF)C2)ccn1 ZINC000856603383 644697760 /nfs/dbraw/zinc/69/77/60/644697760.db2.gz JELFFCSMKFTTGO-INIZCTEOSA-N 2 1 295.402 2.344 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843051898 644750100 /nfs/dbraw/zinc/75/01/00/644750100.db2.gz MFGWSEAOXDDJCU-TZMCWYRMSA-N 2 1 260.381 2.276 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000011888770 644948913 /nfs/dbraw/zinc/94/89/13/644948913.db2.gz LCSKBBYLGYOLCX-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000011888770 644948915 /nfs/dbraw/zinc/94/89/15/644948915.db2.gz LCSKBBYLGYOLCX-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000759121156 644986465 /nfs/dbraw/zinc/98/64/65/644986465.db2.gz MYPCFEFYPUGJCG-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP CSC1(C[NH2+][C@H]2CCCc3c[nH]nc32)CC[NH+](C)CC1 ZINC000857868007 644989098 /nfs/dbraw/zinc/98/90/98/644989098.db2.gz NBTLQMJRQBXQKJ-ZDUSSCGKSA-N 2 1 294.468 2.204 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCCCCCO)CC1 ZINC000759966474 645097668 /nfs/dbraw/zinc/09/76/68/645097668.db2.gz LJRLBUWKEJKCDS-HNNXBMFYSA-N 2 1 256.434 2.345 20 0 CEADMP Cc1ccccc1[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000759976420 645099437 /nfs/dbraw/zinc/09/94/37/645099437.db2.gz LPFAPPWDNMJTGM-NVXWUHKLSA-N 2 1 276.424 2.445 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNc1cc[nH+]c(CO)c1 ZINC000858322561 645118088 /nfs/dbraw/zinc/11/80/88/645118088.db2.gz AGDRDCAKVJMYSP-ZDUSSCGKSA-N 2 1 263.385 2.250 20 0 CEADMP CC(C)[C@@H](O)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000878156844 651016324 /nfs/dbraw/zinc/01/63/24/651016324.db2.gz QILKTVJDCDAHAD-CVEARBPZSA-N 2 1 268.445 2.057 20 0 CEADMP CC(C)[C@@H](O)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000878156844 651016328 /nfs/dbraw/zinc/01/63/28/651016328.db2.gz QILKTVJDCDAHAD-CVEARBPZSA-N 2 1 268.445 2.057 20 0 CEADMP CC(C)[C@@H](O)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000878156844 651016330 /nfs/dbraw/zinc/01/63/30/651016330.db2.gz QILKTVJDCDAHAD-CVEARBPZSA-N 2 1 268.445 2.057 20 0 CEADMP CCC[C@H]1[C@H](C)CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878258557 651047295 /nfs/dbraw/zinc/04/72/95/651047295.db2.gz SFRYRLUOHIXJQY-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCC1CC1 ZINC000878288230 651054546 /nfs/dbraw/zinc/05/45/46/651054546.db2.gz SVLATDVKOKAOKV-OAGGEKHMSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](C)CCCC1CCN(CC[NH+]2CCCC2)CC1 ZINC000767005834 645945927 /nfs/dbraw/zinc/94/59/27/645945927.db2.gz WSYWMEOPXGBNFU-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)C2CC2)C1 ZINC000767411537 645987607 /nfs/dbraw/zinc/98/76/07/645987607.db2.gz MPTTZAUWRVEBPP-AWEZNQCLSA-N 2 1 264.413 2.019 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)C2CC2)C1 ZINC000767411537 645987609 /nfs/dbraw/zinc/98/76/09/645987609.db2.gz MPTTZAUWRVEBPP-AWEZNQCLSA-N 2 1 264.413 2.019 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)C2CC2)C1 ZINC000767411537 645987613 /nfs/dbraw/zinc/98/76/13/645987613.db2.gz MPTTZAUWRVEBPP-AWEZNQCLSA-N 2 1 264.413 2.019 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)C2CC2)C1 ZINC000767411537 645987615 /nfs/dbraw/zinc/98/76/15/645987615.db2.gz MPTTZAUWRVEBPP-AWEZNQCLSA-N 2 1 264.413 2.019 20 0 CEADMP COCCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769139562 646213616 /nfs/dbraw/zinc/21/36/16/646213616.db2.gz JXONNTFLTWUQEW-UHFFFAOYSA-N 2 1 250.386 2.217 20 0 CEADMP c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CO2 ZINC000863543492 646752214 /nfs/dbraw/zinc/75/22/14/646752214.db2.gz ZYJNFGQNDLTBQG-GDBMZVCRSA-N 2 1 272.392 2.254 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(C=O)CC2)C1 ZINC000774176891 646814175 /nfs/dbraw/zinc/81/41/75/646814175.db2.gz CAGRJBXXCNEGDT-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(C=O)CC2)C1 ZINC000774176891 646814178 /nfs/dbraw/zinc/81/41/78/646814178.db2.gz CAGRJBXXCNEGDT-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCC=CO2)C[C@H]1C ZINC000774904794 646907062 /nfs/dbraw/zinc/90/70/62/646907062.db2.gz WTXDQADWTYNPIK-QLFBSQMISA-N 2 1 252.402 2.484 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCC=CO2)C[C@H]1C ZINC000774904794 646907063 /nfs/dbraw/zinc/90/70/63/646907063.db2.gz WTXDQADWTYNPIK-QLFBSQMISA-N 2 1 252.402 2.484 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCC=CO2)C[C@H]1C ZINC000774904794 646907065 /nfs/dbraw/zinc/90/70/65/646907065.db2.gz WTXDQADWTYNPIK-QLFBSQMISA-N 2 1 252.402 2.484 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000775389405 646949067 /nfs/dbraw/zinc/94/90/67/646949067.db2.gz YFZNJCYPEVXFAD-MQYQWHSLSA-N 2 1 286.510 2.297 20 0 CEADMP CCOCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000775607689 646972714 /nfs/dbraw/zinc/97/27/14/646972714.db2.gz WXOOGFHYLGDBNK-MRXNPFEDSA-N 2 1 292.423 2.491 20 0 CEADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000864450674 647006999 /nfs/dbraw/zinc/00/69/99/647006999.db2.gz BJYBFAGUSOWHSJ-BARDWOONSA-N 2 1 280.460 2.267 20 0 CEADMP Cc1ccc([C@H](CNC(=[NH2+])N[C@H]2C[C@H]2C)[NH+]2CCCC2)o1 ZINC000864457120 647012676 /nfs/dbraw/zinc/01/26/76/647012676.db2.gz PBTFSQPEYOBTDR-XBFCOCLRSA-N 2 1 290.411 2.247 20 0 CEADMP CCC(CC)NC(=[NH2+])NCCCCn1cc[nH+]c1C ZINC000864461473 647016108 /nfs/dbraw/zinc/01/61/08/647016108.db2.gz OHZIQJYNAYEFLL-UHFFFAOYSA-N 2 1 265.405 2.274 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(c2ccsc2)CC1 ZINC000776882108 647096080 /nfs/dbraw/zinc/09/60/80/647096080.db2.gz LFCKRROHMQZQNP-MRXNPFEDSA-N 2 1 294.464 2.384 20 0 CEADMP Fc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cnc1Cl ZINC000865411341 647280564 /nfs/dbraw/zinc/28/05/64/647280564.db2.gz BMKIPLRUQRVUFK-SNVBAGLBSA-N 2 1 283.778 2.448 20 0 CEADMP Fc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cnc1Cl ZINC000865411341 647280568 /nfs/dbraw/zinc/28/05/68/647280568.db2.gz BMKIPLRUQRVUFK-SNVBAGLBSA-N 2 1 283.778 2.448 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CCCCO)cn1 ZINC000779019804 647282048 /nfs/dbraw/zinc/28/20/48/647282048.db2.gz NUMNNPZVMLHPGQ-CYBMUJFWSA-N 2 1 288.395 2.216 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000865465640 647306455 /nfs/dbraw/zinc/30/64/55/647306455.db2.gz FMLIMTQRPPAYDJ-SECBINFHSA-N 2 1 271.286 2.171 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000865465640 647306460 /nfs/dbraw/zinc/30/64/60/647306460.db2.gz FMLIMTQRPPAYDJ-SECBINFHSA-N 2 1 271.286 2.171 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC000865805468 647470697 /nfs/dbraw/zinc/47/06/97/647470697.db2.gz ZYBLUIDZKOIENF-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC000865805468 647470699 /nfs/dbraw/zinc/47/06/99/647470699.db2.gz ZYBLUIDZKOIENF-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865805468 647470700 /nfs/dbraw/zinc/47/07/00/647470700.db2.gz ZYBLUIDZKOIENF-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000865805468 647470702 /nfs/dbraw/zinc/47/07/02/647470702.db2.gz ZYBLUIDZKOIENF-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@@H+](C[C@H](O)CN1CCCC1)[C@@H]1CCCC[C@H]1C ZINC000781925382 647572556 /nfs/dbraw/zinc/57/25/56/647572556.db2.gz TUJZVNINHNEESD-BZUAXINKSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCC[C@H]1C ZINC000781925382 647572560 /nfs/dbraw/zinc/57/25/60/647572560.db2.gz TUJZVNINHNEESD-BZUAXINKSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCC[C@H]1C ZINC000781925382 647572561 /nfs/dbraw/zinc/57/25/61/647572561.db2.gz TUJZVNINHNEESD-BZUAXINKSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC[C@H]2C)CC1 ZINC000783243965 647699992 /nfs/dbraw/zinc/69/99/92/647699992.db2.gz QCHVRSRFGUDRLL-HIFRSBDPSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CC2(C)OCCO2)[C@@H](C)C1 ZINC000866424689 647782818 /nfs/dbraw/zinc/78/28/18/647782818.db2.gz NIEMXQQDJCHOKX-ILXRZTDVSA-N 2 1 284.444 2.096 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000866524329 647814911 /nfs/dbraw/zinc/81/49/11/647814911.db2.gz CTJSBZYJEYZGED-BYNSBNAKSA-N 2 1 296.455 2.427 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC23CCOCC3)CC[N@H+]1C ZINC000866529334 647816762 /nfs/dbraw/zinc/81/67/62/647816762.db2.gz OUOYSUCSRKPTAV-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+]1CC[C@H]2CN(C3CC(OC(C)(C)C)C3)CC[C@H]21 ZINC000866585141 647832540 /nfs/dbraw/zinc/83/25/40/647832540.db2.gz OPPYNSTTYQYLNN-VXGQWTEUSA-N 2 1 266.429 2.359 20 0 CEADMP COc1ccc2c(c1)[nH+]ccc2N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000784631239 647870872 /nfs/dbraw/zinc/87/08/72/647870872.db2.gz VRTBQZMBUCWZLK-BETUJISGSA-N 2 1 283.375 2.241 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000866703852 647875657 /nfs/dbraw/zinc/87/56/57/647875657.db2.gz PCESONJDZJKQNZ-KRWDZBQOSA-N 2 1 295.471 2.086 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000866703852 647875658 /nfs/dbraw/zinc/87/56/58/647875658.db2.gz PCESONJDZJKQNZ-KRWDZBQOSA-N 2 1 295.471 2.086 20 0 CEADMP CCn1cc(CC[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000866708748 647878342 /nfs/dbraw/zinc/87/83/42/647878342.db2.gz OONAQSGJROKROI-INIZCTEOSA-N 2 1 278.444 2.142 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc2c1COC2 ZINC000866717616 647880185 /nfs/dbraw/zinc/88/01/85/647880185.db2.gz KFZUKZGCYJPDLN-WMLDXEAASA-N 2 1 272.392 2.291 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCc4ccccc43)C[C@@H]2C1 ZINC000785916988 647968721 /nfs/dbraw/zinc/96/87/21/647968721.db2.gz JPCHCYHFHFGJBH-OAGGEKHMSA-N 2 1 256.393 2.210 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCc4ccccc43)C[C@@H]2C1 ZINC000785916988 647968722 /nfs/dbraw/zinc/96/87/22/647968722.db2.gz JPCHCYHFHFGJBH-OAGGEKHMSA-N 2 1 256.393 2.210 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCc4ccccc43)C[C@@H]2C1 ZINC000785916988 647968724 /nfs/dbraw/zinc/96/87/24/647968724.db2.gz JPCHCYHFHFGJBH-OAGGEKHMSA-N 2 1 256.393 2.210 20 0 CEADMP CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000788470615 648192401 /nfs/dbraw/zinc/19/24/01/648192401.db2.gz VPRHNRODUUFWGQ-IAGOWNOFSA-N 2 1 276.424 2.259 20 0 CEADMP CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000788470615 648192404 /nfs/dbraw/zinc/19/24/04/648192404.db2.gz VPRHNRODUUFWGQ-IAGOWNOFSA-N 2 1 276.424 2.259 20 0 CEADMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@H]1n1ccnc1 ZINC000788484628 648193012 /nfs/dbraw/zinc/19/30/12/648193012.db2.gz CKPFDKPISGFAHE-GOEBONIOSA-N 2 1 276.428 2.108 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC3(CCC3)C(=O)O2)C[C@H]1C ZINC000792236999 648629568 /nfs/dbraw/zinc/62/95/68/648629568.db2.gz QMRPJFYOOOJZGV-ILXRZTDVSA-N 2 1 294.439 2.277 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC3(CCC3)C(=O)O2)C[C@H]1C ZINC000792236999 648629569 /nfs/dbraw/zinc/62/95/69/648629569.db2.gz QMRPJFYOOOJZGV-ILXRZTDVSA-N 2 1 294.439 2.277 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)C[C@H]1C ZINC000792236999 648629572 /nfs/dbraw/zinc/62/95/72/648629572.db2.gz QMRPJFYOOOJZGV-ILXRZTDVSA-N 2 1 294.439 2.277 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)C[C@H]1C ZINC000792236999 648629575 /nfs/dbraw/zinc/62/95/75/648629575.db2.gz QMRPJFYOOOJZGV-ILXRZTDVSA-N 2 1 294.439 2.277 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)nn2C)C1 ZINC000793525568 648769939 /nfs/dbraw/zinc/76/99/39/648769939.db2.gz VZKJMNWQQFYJSE-ZIAGYGMSSA-N 2 1 264.417 2.111 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)nn2C)C1 ZINC000793525568 648769942 /nfs/dbraw/zinc/76/99/42/648769942.db2.gz VZKJMNWQQFYJSE-ZIAGYGMSSA-N 2 1 264.417 2.111 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)nn2C)C1 ZINC000793525567 648770391 /nfs/dbraw/zinc/77/03/91/648770391.db2.gz VZKJMNWQQFYJSE-UONOGXRCSA-N 2 1 264.417 2.111 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)nn2C)C1 ZINC000793525567 648770393 /nfs/dbraw/zinc/77/03/93/648770393.db2.gz VZKJMNWQQFYJSE-UONOGXRCSA-N 2 1 264.417 2.111 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000870872696 648939333 /nfs/dbraw/zinc/93/93/33/648939333.db2.gz GYOOBYWCMOAKES-KKUMJFAQSA-N 2 1 295.471 2.131 20 0 CEADMP Cc1cnc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000871784419 649184504 /nfs/dbraw/zinc/18/45/04/649184504.db2.gz DWGIPWUZBDQJMM-YOGCLGLASA-N 2 1 294.424 2.323 20 0 CEADMP Cc1cnc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000871784419 649184509 /nfs/dbraw/zinc/18/45/09/649184509.db2.gz DWGIPWUZBDQJMM-YOGCLGLASA-N 2 1 294.424 2.323 20 0 CEADMP C[C@@]1(C2CCCCC2)CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000871991833 649238881 /nfs/dbraw/zinc/23/88/81/649238881.db2.gz LIUMUQKIEDEEGV-IRXDYDNUSA-N 2 1 280.456 2.488 20 0 CEADMP C[C@@]1(C2CCCCC2)CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000871991833 649238885 /nfs/dbraw/zinc/23/88/85/649238885.db2.gz LIUMUQKIEDEEGV-IRXDYDNUSA-N 2 1 280.456 2.488 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)C1CC1 ZINC000872025799 649244326 /nfs/dbraw/zinc/24/43/26/649244326.db2.gz TYFBWGOADSIXMF-HUUCEWRRSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)[C@@H]2CCC[C@H]21 ZINC000872108819 649280015 /nfs/dbraw/zinc/28/00/15/649280015.db2.gz XUHXFHVKSJUQDH-JNNCMOEMSA-N 2 1 278.440 2.406 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)[C@H](C)C1 ZINC000872109860 649280789 /nfs/dbraw/zinc/28/07/89/649280789.db2.gz SRRSJUCUKFPOPJ-YXMSTPNBSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141518 649290588 /nfs/dbraw/zinc/29/05/88/649290588.db2.gz KIJZGIHXMLOHHS-MJBXVCDLSA-N 2 1 252.402 2.005 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000872143137 649292042 /nfs/dbraw/zinc/29/20/42/649292042.db2.gz MRLPEWQGFAZRBQ-FPCVCCKLSA-N 2 1 266.429 2.123 20 0 CEADMP Cc1conc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000872143624 649292899 /nfs/dbraw/zinc/29/28/99/649292899.db2.gz VAGNWAGDUUKTNL-KGLIPLIRSA-N 2 1 263.385 2.195 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CC4(CCC4)CO3)C[C@H]21 ZINC000872143494 649293168 /nfs/dbraw/zinc/29/31/68/649293168.db2.gz NZDZRXUOXNBAOM-KBUPBQIOSA-N 2 1 264.413 2.005 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])ccc1C ZINC000872143861 649293794 /nfs/dbraw/zinc/29/37/94/649293794.db2.gz YUINQAFOAZDPQF-HNNXBMFYSA-N 2 1 290.407 2.485 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@@H]1CC(C)(C)CO1)CC[NH2+]CC2 ZINC000872144518 649294847 /nfs/dbraw/zinc/29/48/47/649294847.db2.gz HATLJODQWOBTBK-KBPBESRZSA-N 2 1 266.429 2.266 20 0 CEADMP Fc1ccc(O[C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000872146480 649296741 /nfs/dbraw/zinc/29/67/41/649296741.db2.gz OYEFJBBEPDTWHV-CJNGLKHVSA-N 2 1 278.371 2.278 20 0 CEADMP CCOc1ccc(OCC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872150663 649297783 /nfs/dbraw/zinc/29/77/83/649297783.db2.gz YQIPLISQZVGFMA-WMLDXEAASA-N 2 1 290.407 2.005 20 0 CEADMP CCOc1ccc(OCC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872150663 649297787 /nfs/dbraw/zinc/29/77/87/649297787.db2.gz YQIPLISQZVGFMA-WMLDXEAASA-N 2 1 290.407 2.005 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H](C(F)(F)F)O1 ZINC000872154658 649298497 /nfs/dbraw/zinc/29/84/97/649298497.db2.gz VCSXQIRRWCNDOU-PWSUYJOCSA-N 2 1 280.334 2.028 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc2c(c1)C[NH2+]CC2 ZINC000872155331 649298525 /nfs/dbraw/zinc/29/85/25/649298525.db2.gz IOEAJGVZMYDZSO-UHFFFAOYSA-N 3 1 275.440 2.283 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CC(=O)Nc1ccc(Cl)cn1 ZINC000872155544 649299082 /nfs/dbraw/zinc/29/90/82/649299082.db2.gz PIVPOLYRVPPSNR-UHFFFAOYSA-N 2 1 298.818 2.124 20 0 CEADMP C[C@H](O)c1ncc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000872253843 649329927 /nfs/dbraw/zinc/32/99/27/649329927.db2.gz KUDCPTDSVGLHKE-QWRGUYRKSA-N 2 1 283.441 2.064 20 0 CEADMP c1c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)sc2c1C[NH2+]CC2 ZINC000873207918 649589784 /nfs/dbraw/zinc/58/97/84/649589784.db2.gz GAGHYZLJQKJUCV-QWHCGFSZSA-N 2 1 292.448 2.252 20 0 CEADMP c1c(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)sc2c1C[NH2+]CC2 ZINC000873207920 649589836 /nfs/dbraw/zinc/58/98/36/649589836.db2.gz GAGHYZLJQKJUCV-STQMWFEESA-N 2 1 292.448 2.252 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cnc1Cl ZINC000873216678 649594151 /nfs/dbraw/zinc/59/41/51/649594151.db2.gz QVUFXRZVELODPM-ZYHUDNBSSA-N 2 1 253.777 2.070 20 0 CEADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cnc1Cl ZINC000873216678 649594153 /nfs/dbraw/zinc/59/41/53/649594153.db2.gz QVUFXRZVELODPM-ZYHUDNBSSA-N 2 1 253.777 2.070 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000873222672 649596627 /nfs/dbraw/zinc/59/66/27/649596627.db2.gz AOZFYPJIWRLVKQ-INIZCTEOSA-N 2 1 277.412 2.293 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cncs2)C1 ZINC000873223165 649597255 /nfs/dbraw/zinc/59/72/55/649597255.db2.gz IKDFSHBVRQSWTK-ZDUSSCGKSA-N 2 1 253.415 2.340 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cncs2)C1 ZINC000873223165 649597257 /nfs/dbraw/zinc/59/72/57/649597257.db2.gz IKDFSHBVRQSWTK-ZDUSSCGKSA-N 2 1 253.415 2.340 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000873223865 649597400 /nfs/dbraw/zinc/59/74/00/649597400.db2.gz UBAVAVBFSAJBHH-DZGCQCFKSA-N 2 1 254.418 2.110 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC2=CCCOC2)C1 ZINC000873223734 649598014 /nfs/dbraw/zinc/59/80/14/649598014.db2.gz RYAYUBKJNWXZFA-HNNXBMFYSA-N 2 1 252.402 2.030 20 0 CEADMP Cc1csc([C@@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000873227107 649598660 /nfs/dbraw/zinc/59/86/60/649598660.db2.gz HDSCVORKURPHRJ-OCCSQVGLSA-N 2 1 265.426 2.240 20 0 CEADMP COCCC1([NH2+]Cc2cc(F)cc(F)c2)CC[NH2+]CC1 ZINC000873224771 649598734 /nfs/dbraw/zinc/59/87/34/649598734.db2.gz LCXXOYXDWYBJIC-UHFFFAOYSA-N 2 1 284.350 2.213 20 0 CEADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230272 649601891 /nfs/dbraw/zinc/60/18/91/649601891.db2.gz OMZMDEQGAYITSM-COXVUDFISA-N 2 1 272.392 2.427 20 0 CEADMP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ncc[nH]1 ZINC000873233933 649603347 /nfs/dbraw/zinc/60/33/47/649603347.db2.gz BPMCYJMTWPZWFA-TZMCWYRMSA-N 2 1 258.369 2.020 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000873254552 649611767 /nfs/dbraw/zinc/61/17/67/649611767.db2.gz WQHYCPXHXKDQRC-DZJNRPSUSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000873254552 649611768 /nfs/dbraw/zinc/61/17/68/649611768.db2.gz WQHYCPXHXKDQRC-DZJNRPSUSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873256790 649612936 /nfs/dbraw/zinc/61/29/36/649612936.db2.gz OGDRNSOZNMHZID-OWLYRPNTSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000873256790 649612938 /nfs/dbraw/zinc/61/29/38/649612938.db2.gz OGDRNSOZNMHZID-OWLYRPNTSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873259212 649614226 /nfs/dbraw/zinc/61/42/26/649614226.db2.gz ZWTRDPLNUNLCQI-LEUOFYLZSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873259212 649614227 /nfs/dbraw/zinc/61/42/27/649614227.db2.gz ZWTRDPLNUNLCQI-LEUOFYLZSA-N 3 1 287.451 2.224 20 0 CEADMP CCC[C@H](CC)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000874468758 649779352 /nfs/dbraw/zinc/77/93/52/649779352.db2.gz QQELCIWODHPJDM-HNNXBMFYSA-N 2 1 297.487 2.297 20 0 CEADMP CCC[C@H](CC)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000874468758 649779353 /nfs/dbraw/zinc/77/93/53/649779353.db2.gz QQELCIWODHPJDM-HNNXBMFYSA-N 2 1 297.487 2.297 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1C[C@H]3CCC[C@@H]3O1)C2 ZINC000878662402 651156480 /nfs/dbraw/zinc/15/64/80/651156480.db2.gz PGLJGANGUJNURC-LTIDMASMSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1C[C@H]3CCC[C@@H]3O1)C2 ZINC000878662402 651156481 /nfs/dbraw/zinc/15/64/81/651156481.db2.gz PGLJGANGUJNURC-LTIDMASMSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1C[C@H]3CCC[C@@H]3O1)C2 ZINC000878662402 651156482 /nfs/dbraw/zinc/15/64/82/651156482.db2.gz PGLJGANGUJNURC-LTIDMASMSA-N 2 1 278.440 2.362 20 0 CEADMP C=C/C=C/CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000879000488 651225549 /nfs/dbraw/zinc/22/55/49/651225549.db2.gz DUFHVCIEBUKLEU-NFAHFFEMSA-N 2 1 252.402 2.161 20 0 CEADMP COCC[N@@H+](CCOCC1CCC1)CC1CC[NH+](C)CC1 ZINC000879125672 651247605 /nfs/dbraw/zinc/24/76/05/651247605.db2.gz FZJKTJHSCLHNDR-UHFFFAOYSA-N 2 1 298.471 2.093 20 0 CEADMP CO[C@H]1CC[C@H](C)[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000879320544 651285022 /nfs/dbraw/zinc/28/50/22/651285022.db2.gz HNOOOLGSSUNWJB-ZFWWWQNUSA-N 2 1 265.401 2.471 20 0 CEADMP CO[C@H]1CC[C@H](C)[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000879320544 651285024 /nfs/dbraw/zinc/28/50/24/651285024.db2.gz HNOOOLGSSUNWJB-ZFWWWQNUSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1ccccc1[C@H](C)[N@H+](C)C[C@H](O)CN1CCCC1 ZINC000879383143 651295310 /nfs/dbraw/zinc/29/53/10/651295310.db2.gz CMAQIZXXZOQVJZ-HOTGVXAUSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H](O)CN1CCCC1 ZINC000879383143 651295313 /nfs/dbraw/zinc/29/53/13/651295313.db2.gz CMAQIZXXZOQVJZ-HOTGVXAUSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1ccccc1[C@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000879383143 651295317 /nfs/dbraw/zinc/29/53/17/651295317.db2.gz CMAQIZXXZOQVJZ-HOTGVXAUSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000879383143 651295319 /nfs/dbraw/zinc/29/53/19/651295319.db2.gz CMAQIZXXZOQVJZ-HOTGVXAUSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1cnn(CCCCC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000879572712 651323867 /nfs/dbraw/zinc/32/38/67/651323867.db2.gz JGDBGRQERRBCOG-DLBZAZTESA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000879572712 651323869 /nfs/dbraw/zinc/32/38/69/651323869.db2.gz JGDBGRQERRBCOG-DLBZAZTESA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879572712 651323871 /nfs/dbraw/zinc/32/38/71/651323871.db2.gz JGDBGRQERRBCOG-DLBZAZTESA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879572712 651323875 /nfs/dbraw/zinc/32/38/75/651323875.db2.gz JGDBGRQERRBCOG-DLBZAZTESA-N 2 1 290.455 2.388 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCOc3ccccc3)CC[C@H]21 ZINC000879572951 651324076 /nfs/dbraw/zinc/32/40/76/651324076.db2.gz SKQXBQOGGVPKLF-GOEBONIOSA-N 2 1 260.381 2.091 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCOc3ccccc3)CC[C@H]21 ZINC000879572951 651324078 /nfs/dbraw/zinc/32/40/78/651324078.db2.gz SKQXBQOGGVPKLF-GOEBONIOSA-N 2 1 260.381 2.091 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCOc3ccccc3)CC[C@H]21 ZINC000879572951 651324080 /nfs/dbraw/zinc/32/40/80/651324080.db2.gz SKQXBQOGGVPKLF-GOEBONIOSA-N 2 1 260.381 2.091 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCOc3ccccc3)CC[C@H]21 ZINC000879572951 651324082 /nfs/dbraw/zinc/32/40/82/651324082.db2.gz SKQXBQOGGVPKLF-GOEBONIOSA-N 2 1 260.381 2.091 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCCOc3ccccc3)CC[C@@H]21 ZINC000879572404 651324124 /nfs/dbraw/zinc/32/41/24/651324124.db2.gz PRQMTFBCDCQPNH-RDJZCZTQSA-N 2 1 274.408 2.482 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCCOc3ccccc3)CC[C@@H]21 ZINC000879572404 651324126 /nfs/dbraw/zinc/32/41/26/651324126.db2.gz PRQMTFBCDCQPNH-RDJZCZTQSA-N 2 1 274.408 2.482 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCOc3ccccc3)CC[C@@H]21 ZINC000879572404 651324127 /nfs/dbraw/zinc/32/41/27/651324127.db2.gz PRQMTFBCDCQPNH-RDJZCZTQSA-N 2 1 274.408 2.482 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578588 651325662 /nfs/dbraw/zinc/32/56/62/651325662.db2.gz FOLOYNMSNFQDDI-LAVFITLUSA-N 2 1 288.435 2.177 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879578588 651325663 /nfs/dbraw/zinc/32/56/63/651325663.db2.gz FOLOYNMSNFQDDI-LAVFITLUSA-N 2 1 288.435 2.177 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879578588 651325664 /nfs/dbraw/zinc/32/56/64/651325664.db2.gz FOLOYNMSNFQDDI-LAVFITLUSA-N 2 1 288.435 2.177 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]3CCC4(CCC4)O3)CC[C@@H]21 ZINC000879581126 651326495 /nfs/dbraw/zinc/32/64/95/651326495.db2.gz WSZHZMIBIPYGRF-ILXRZTDVSA-N 2 1 264.413 2.114 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC4(CCC4)O3)CC[C@@H]21 ZINC000879581126 651326497 /nfs/dbraw/zinc/32/64/97/651326497.db2.gz WSZHZMIBIPYGRF-ILXRZTDVSA-N 2 1 264.413 2.114 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC4(CCC4)O3)CC[C@@H]21 ZINC000879581126 651326499 /nfs/dbraw/zinc/32/64/99/651326499.db2.gz WSZHZMIBIPYGRF-ILXRZTDVSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC4(CCC4)O3)CC[C@@H]21 ZINC000879581126 651326501 /nfs/dbraw/zinc/32/65/01/651326501.db2.gz WSZHZMIBIPYGRF-ILXRZTDVSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCC4)O3)CC[C@@H]21 ZINC000879581126 651326503 /nfs/dbraw/zinc/32/65/03/651326503.db2.gz WSZHZMIBIPYGRF-ILXRZTDVSA-N 2 1 264.413 2.114 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950946 651364452 /nfs/dbraw/zinc/36/44/52/651364452.db2.gz FEWDRQBVJKPNDY-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP C[N@@H+](CCN1CC[C@H]2[C@H]1CCC[NH+]2C)Cc1ccccc1 ZINC000880140639 651390655 /nfs/dbraw/zinc/39/06/55/651390655.db2.gz CHBOAZWCZRWCPB-ZWKOTPCHSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+](CCN1CC[C@H]2[C@H]1CCC[N@@H+]2C)Cc1ccccc1 ZINC000880140639 651390656 /nfs/dbraw/zinc/39/06/56/651390656.db2.gz CHBOAZWCZRWCPB-ZWKOTPCHSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+](CCN1CC[C@H]2[C@H]1CCC[N@H+]2C)Cc1ccccc1 ZINC000880140639 651390657 /nfs/dbraw/zinc/39/06/57/651390657.db2.gz CHBOAZWCZRWCPB-ZWKOTPCHSA-N 2 1 287.451 2.287 20 0 CEADMP CCC[C@@H](C)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203316 651400851 /nfs/dbraw/zinc/40/08/51/651400851.db2.gz ADLGWSMYONTHGJ-HIFRSBDPSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[C@@H](C)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203316 651400852 /nfs/dbraw/zinc/40/08/52/651400852.db2.gz ADLGWSMYONTHGJ-HIFRSBDPSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](CCOC2CCC2)CCN1c1cc[nH+]cc1 ZINC000880260052 651412017 /nfs/dbraw/zinc/41/20/17/651412017.db2.gz MQPFZKYHYKKSDE-CQSZACIVSA-N 2 1 275.396 2.161 20 0 CEADMP CC(C)OCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261377 651412037 /nfs/dbraw/zinc/41/20/37/651412037.db2.gz JKUVKUJMUSKJLO-HNNXBMFYSA-N 2 1 277.412 2.407 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CCO1 ZINC000880259895 651412216 /nfs/dbraw/zinc/41/22/16/651412216.db2.gz KVYFFHMDAZYFQY-OAGGEKHMSA-N 2 1 289.423 2.407 20 0 CEADMP COCC[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880263502 651412700 /nfs/dbraw/zinc/41/27/00/651412700.db2.gz YNQWHQYNHUDIFA-ZIAGYGMSSA-N 2 1 263.385 2.017 20 0 CEADMP C[C@H](CC[N@H+]1CC[C@@H](CF)C1)[NH+]1CC[C@H](CF)C1 ZINC000880296631 651418414 /nfs/dbraw/zinc/41/84/14/651418414.db2.gz FLHUAJDKBJEKRO-HZSPNIEDSA-N 2 1 260.372 2.348 20 0 CEADMP C[C@H](CC[NH+]1CC[C@@H](CF)C1)[N@@H+]1CC[C@H](CF)C1 ZINC000880296631 651418415 /nfs/dbraw/zinc/41/84/15/651418415.db2.gz FLHUAJDKBJEKRO-HZSPNIEDSA-N 2 1 260.372 2.348 20 0 CEADMP C[C@H](CC[NH+]1CC[C@@H](CF)C1)[N@H+]1CC[C@H](CF)C1 ZINC000880296631 651418416 /nfs/dbraw/zinc/41/84/16/651418416.db2.gz FLHUAJDKBJEKRO-HZSPNIEDSA-N 2 1 260.372 2.348 20 0 CEADMP COc1ccccc1[C@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000130593542 652291217 /nfs/dbraw/zinc/29/12/17/652291217.db2.gz PFPGGUFNGMPGMI-MRXNPFEDSA-N 2 1 292.423 2.191 20 0 CEADMP Cc1ccccc1OCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130873677 652350799 /nfs/dbraw/zinc/35/07/99/652350799.db2.gz AARWYVYLWSCIHW-XHSDSOJGSA-N 2 1 274.408 2.433 20 0 CEADMP C1=C[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000883245430 652412640 /nfs/dbraw/zinc/41/26/40/652412640.db2.gz LJXUQSFZXIWWSN-HOCLYGCPSA-N 2 1 264.413 2.186 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccns2)[C@@H]2CCC[C@H]21 ZINC000883247315 652413518 /nfs/dbraw/zinc/41/35/18/652413518.db2.gz GIUDGWGZWAUUKI-MELADBBJSA-N 2 1 265.426 2.148 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883364026 652444683 /nfs/dbraw/zinc/44/46/83/652444683.db2.gz VDOBFJGVTNHTOX-AWEZNQCLSA-N 2 1 275.396 2.339 20 0 CEADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883437133 652469360 /nfs/dbraw/zinc/46/93/60/652469360.db2.gz KCHNNQUHAPKQLF-SJORKVTESA-N 2 1 292.423 2.204 20 0 CEADMP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(C)cc1 ZINC000883440842 652471281 /nfs/dbraw/zinc/47/12/81/652471281.db2.gz AXANNXPSISWWAS-SOUVJXGZSA-N 2 1 289.423 2.428 20 0 CEADMP COc1ccc([C@H]2CNCC[N@@H+]2CCCCCC[NH3+])cc1 ZINC000883452201 652474364 /nfs/dbraw/zinc/47/43/64/652474364.db2.gz LFOHGHHTMCZOBB-QGZVFWFLSA-N 2 1 291.439 2.161 20 0 CEADMP COc1ccc([C@H]2CNCC[N@H+]2CCCCCC[NH3+])cc1 ZINC000883452201 652474367 /nfs/dbraw/zinc/47/43/67/652474367.db2.gz LFOHGHHTMCZOBB-QGZVFWFLSA-N 2 1 291.439 2.161 20 0 CEADMP O=C(OCCC[NH+]1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000800221694 652691431 /nfs/dbraw/zinc/69/14/31/652691431.db2.gz XGUMVCHIKLGQCN-INIZCTEOSA-N 2 1 294.439 2.423 20 0 CEADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1O ZINC000134002767 652756590 /nfs/dbraw/zinc/75/65/90/652756590.db2.gz ZODPUBYSCLTHMS-UHFFFAOYSA-N 2 1 278.396 2.174 20 0 CEADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N1CC[NH+]3CCC[C@H]3C1)C2 ZINC001167993181 805594331 /nfs/dbraw/zinc/59/43/31/805594331.db2.gz MQEHHXNSDCBHRA-KTGAGVNESA-N 2 1 289.467 2.172 20 0 CEADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC(N1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC001167993181 805594336 /nfs/dbraw/zinc/59/43/36/805594336.db2.gz MQEHHXNSDCBHRA-KTGAGVNESA-N 2 1 289.467 2.172 20 0 CEADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC(N1CC[N@H+]3CCC[C@H]3C1)C2 ZINC001167993181 805594342 /nfs/dbraw/zinc/59/43/42/805594342.db2.gz MQEHHXNSDCBHRA-KTGAGVNESA-N 2 1 289.467 2.172 20 0 CEADMP C[N@@H+](CCC1OCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994516 805598086 /nfs/dbraw/zinc/59/80/86/805598086.db2.gz HFHAKBQNFLDVAG-XYPWUTKMSA-N 2 1 294.439 2.087 20 0 CEADMP C[NH+](CCC1OCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994516 805598095 /nfs/dbraw/zinc/59/80/95/805598095.db2.gz HFHAKBQNFLDVAG-XYPWUTKMSA-N 2 1 294.439 2.087 20 0 CEADMP C[NH+](CCC1OCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994516 805598104 /nfs/dbraw/zinc/59/81/04/805598104.db2.gz HFHAKBQNFLDVAG-XYPWUTKMSA-N 2 1 294.439 2.087 20 0 CEADMP CN([C@H]1CC[N@@H+](C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995862 805601462 /nfs/dbraw/zinc/60/14/62/805601462.db2.gz SVFWXLGWQLTQOZ-TVXGVJEUSA-N 2 1 277.456 2.028 20 0 CEADMP CN([C@H]1CC[NH+](C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995862 805601466 /nfs/dbraw/zinc/60/14/66/805601466.db2.gz SVFWXLGWQLTQOZ-TVXGVJEUSA-N 2 1 277.456 2.028 20 0 CEADMP CN([C@H]1CC[NH+](C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995862 805601470 /nfs/dbraw/zinc/60/14/70/805601470.db2.gz SVFWXLGWQLTQOZ-TVXGVJEUSA-N 2 1 277.456 2.028 20 0 CEADMP CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001226554731 805652270 /nfs/dbraw/zinc/65/22/70/805652270.db2.gz PDTZFKORRXJEQI-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001038443941 805702134 /nfs/dbraw/zinc/70/21/34/805702134.db2.gz KAIYAXFWIZOMMR-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001038443941 805702137 /nfs/dbraw/zinc/70/21/37/805702137.db2.gz KAIYAXFWIZOMMR-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001038443941 805702139 /nfs/dbraw/zinc/70/21/39/805702139.db2.gz KAIYAXFWIZOMMR-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001271169156 805872952 /nfs/dbraw/zinc/87/29/52/805872952.db2.gz CFJVOXPJYRSRNX-BUWFCSEKSA-N 2 1 295.471 2.121 20 0 CEADMP CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001088431356 806208533 /nfs/dbraw/zinc/20/85/33/806208533.db2.gz RFEBZASLMAOEBW-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1C ZINC001088605636 806505124 /nfs/dbraw/zinc/50/51/24/806505124.db2.gz YTWJFRUVXUSNDB-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H]1C ZINC001088605636 806505126 /nfs/dbraw/zinc/50/51/26/806505126.db2.gz YTWJFRUVXUSNDB-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H]1C ZINC001088605636 806505133 /nfs/dbraw/zinc/50/51/33/806505133.db2.gz YTWJFRUVXUSNDB-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)[C@H]2CC[C@H](O)CC2)CC1 ZINC001168313399 806647637 /nfs/dbraw/zinc/64/76/37/806647637.db2.gz BPPVHYNVTGWKGN-LTDGRNPRSA-N 2 1 254.418 2.095 20 0 CEADMP COCc1noc2c1C[N@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168321697 806652640 /nfs/dbraw/zinc/65/26/40/806652640.db2.gz KLSFIGCBIPHTSE-UHFFFAOYSA-N 2 1 293.411 2.052 20 0 CEADMP CCOC(=O)[C@H]1CCCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324250 806653315 /nfs/dbraw/zinc/65/33/15/806653315.db2.gz LTNAIMOFQQVRTF-YMAMQOFZSA-N 2 1 282.428 2.277 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@]3(C2)CC(F)(F)CO3)CC1 ZINC001168327938 806657081 /nfs/dbraw/zinc/65/70/81/806657081.db2.gz UJZBEVLWEMOEPT-JXQTWKCFSA-N 2 1 288.382 2.359 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088810074 806742459 /nfs/dbraw/zinc/74/24/59/806742459.db2.gz CVXNRPGEVLOFOU-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001088810074 806742465 /nfs/dbraw/zinc/74/24/65/806742465.db2.gz CVXNRPGEVLOFOU-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001088810074 806742470 /nfs/dbraw/zinc/74/24/70/806742470.db2.gz CVXNRPGEVLOFOU-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697909862 806755610 /nfs/dbraw/zinc/75/56/10/806755610.db2.gz QERAOVZNXNLZQV-GFCCVEGCSA-N 2 1 263.385 2.075 20 0 CEADMP C[NH+](C)CC1(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)CCCC1 ZINC001208185651 802377298 /nfs/dbraw/zinc/37/72/98/802377298.db2.gz HIJHCNXAHQEEFN-GJZGRUSLSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208603623 802389988 /nfs/dbraw/zinc/38/99/88/802389988.db2.gz GFNXEHHBEIRNLE-KRWDZBQOSA-N 2 1 287.451 2.459 20 0 CEADMP Cc1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208603623 802389997 /nfs/dbraw/zinc/38/99/97/802389997.db2.gz GFNXEHHBEIRNLE-KRWDZBQOSA-N 2 1 287.451 2.459 20 0 CEADMP C[N@H+](CCc1cccc(F)c1)Cc1c[nH+]ccc1N ZINC001209733219 802563323 /nfs/dbraw/zinc/56/33/23/802563323.db2.gz SFNMYFVKRWOBMR-UHFFFAOYSA-N 2 1 259.328 2.308 20 0 CEADMP C[N@@H+](CCc1cccc(F)c1)Cc1c[nH+]ccc1N ZINC001209733219 802563326 /nfs/dbraw/zinc/56/33/26/802563326.db2.gz SFNMYFVKRWOBMR-UHFFFAOYSA-N 2 1 259.328 2.308 20 0 CEADMP CCOC(=O)[C@@]1(C)CCCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001209846422 802576006 /nfs/dbraw/zinc/57/60/06/802576006.db2.gz SOGPDRPXCUSWKM-KRWDZBQOSA-N 2 1 296.455 2.431 20 0 CEADMP CO[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000386153899 802769277 /nfs/dbraw/zinc/76/92/77/802769277.db2.gz PISSZCXPUYOQPC-RBSFLKMASA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)CC[N@H+]1C ZINC000721449172 802795450 /nfs/dbraw/zinc/79/54/50/802795450.db2.gz ZZNMHJGGEJSKJQ-KKOKHZNYSA-N 2 1 280.334 2.169 20 0 CEADMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCOC1 ZINC000402670396 802861057 /nfs/dbraw/zinc/86/10/57/802861057.db2.gz CQCXKWXYURCLAA-WTXIUTQJSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000723609387 802903063 /nfs/dbraw/zinc/90/30/63/802903063.db2.gz MMHCENYZMJKSQP-LVQVYYBASA-N 2 1 266.429 2.123 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000723664484 802922270 /nfs/dbraw/zinc/92/22/70/802922270.db2.gz OPRXCGSABZIAOQ-IIAWOOMASA-N 2 1 278.440 2.408 20 0 CEADMP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723695115 802925940 /nfs/dbraw/zinc/92/59/40/802925940.db2.gz JZJAUZXLMDOUKN-LBPRGKRZSA-N 2 1 295.814 2.258 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]CCCN(C)c2ccccc2)C[NH2+]1 ZINC000399118419 802951179 /nfs/dbraw/zinc/95/11/79/802951179.db2.gz NRCRAZCPCDZEBS-LSDHHAIUSA-N 2 1 261.413 2.243 20 0 CEADMP CCCC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001266880708 802967860 /nfs/dbraw/zinc/96/78/60/802967860.db2.gz OCQZWEDVCVORNB-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCOC1 ZINC000723985186 802985205 /nfs/dbraw/zinc/98/52/05/802985205.db2.gz CPZPFXBURMFINZ-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000723997349 802990363 /nfs/dbraw/zinc/99/03/63/802990363.db2.gz FNURUZLPLQNSPH-BMFZPTHFSA-N 2 1 266.429 2.123 20 0 CEADMP CC[C@H](C)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167626955 803216010 /nfs/dbraw/zinc/21/60/10/803216010.db2.gz IEUBREHCSHNWEI-JKSUJKDBSA-N 2 1 297.487 2.391 20 0 CEADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167913660 803227891 /nfs/dbraw/zinc/22/78/91/803227891.db2.gz PNBHSTADJZUBBN-BTTYYORXSA-N 3 1 267.461 2.260 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001167641261 803229142 /nfs/dbraw/zinc/22/91/42/803229142.db2.gz WYCDHTGIQKVVRH-UHFFFAOYSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@@H]([NH2+]CCC1SCCS1)[C@@H]1CCCC[NH2+]1 ZINC000693804301 803322773 /nfs/dbraw/zinc/32/27/73/803322773.db2.gz JHKRJWSRVGGNCL-MNOVXSKESA-N 2 1 260.472 2.303 20 0 CEADMP Cc1cccc(-c2nnc([C@H]([NH3+])CCCC[NH3+])o2)c1 ZINC001217700089 803411353 /nfs/dbraw/zinc/41/13/53/803411353.db2.gz XICIAYAWJZPTAE-GFCCVEGCSA-N 2 1 260.341 2.174 20 0 CEADMP OCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000725116221 803430637 /nfs/dbraw/zinc/43/06/37/803430637.db2.gz RUWNGJPHSXXYIM-JYJNAYRXSA-N 2 1 266.429 2.144 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2CCC(O)CC2)C1 ZINC001117738262 814941699 /nfs/dbraw/zinc/94/16/99/814941699.db2.gz DTVFVYNIUABAPY-HWOWSKLDSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2CCC(O)CC2)C1 ZINC001117738262 814941702 /nfs/dbraw/zinc/94/17/02/814941702.db2.gz DTVFVYNIUABAPY-HWOWSKLDSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2CCC(O)CC2)C1 ZINC001117738262 814941706 /nfs/dbraw/zinc/94/17/06/814941706.db2.gz DTVFVYNIUABAPY-HWOWSKLDSA-N 2 1 268.445 2.201 20 0 CEADMP CC/C=C/CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001267590539 803576163 /nfs/dbraw/zinc/57/61/63/803576163.db2.gz WPZIMCLRJISZSD-FYCOFBDGSA-N 2 1 295.471 2.075 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)[C@@H]1C ZINC000715406734 814954893 /nfs/dbraw/zinc/95/48/93/814954893.db2.gz YVIUZYFYKWRJOA-LKAFINOVSA-N 2 1 266.429 2.392 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)[C@@H]1C ZINC000715406734 814954897 /nfs/dbraw/zinc/95/48/97/814954897.db2.gz YVIUZYFYKWRJOA-LKAFINOVSA-N 2 1 266.429 2.392 20 0 CEADMP C[N@@H+](C[C@H]1CC[C@H](C2CC2)O1)C1CCC([NH3+])CC1 ZINC000715482976 814959155 /nfs/dbraw/zinc/95/91/55/814959155.db2.gz PLSRPSIRMPNADX-NEXFUWMNSA-N 2 1 252.402 2.146 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H](O)c2ccccc2)[C@H]1C ZINC000692628849 803737106 /nfs/dbraw/zinc/73/71/06/803737106.db2.gz URXZLRGOASYZHX-OCVGTWLNSA-N 2 1 262.397 2.168 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H](O)c2ccccc2)[C@H]1C ZINC000692628849 803737111 /nfs/dbraw/zinc/73/71/11/803737111.db2.gz URXZLRGOASYZHX-OCVGTWLNSA-N 2 1 262.397 2.168 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715391453 814963572 /nfs/dbraw/zinc/96/35/72/814963572.db2.gz FVYYZMPGFGLLKZ-RBSFLKMASA-N 2 1 252.402 2.147 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715391453 814963574 /nfs/dbraw/zinc/96/35/74/814963574.db2.gz FVYYZMPGFGLLKZ-RBSFLKMASA-N 2 1 252.402 2.147 20 0 CEADMP CC[NH2+]CCC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001267914756 803818420 /nfs/dbraw/zinc/81/84/20/803818420.db2.gz LXDZRHCWNANPFN-UHFFFAOYSA-N 2 1 297.487 2.203 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNc1cnc2c(c1)C[NH2+]CC2 ZINC001167754331 803840008 /nfs/dbraw/zinc/84/00/08/803840008.db2.gz WFHCBSSPPZIDMA-AWEZNQCLSA-N 2 1 288.439 2.404 20 0 CEADMP CCCn1nccc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715530414 814973012 /nfs/dbraw/zinc/97/30/12/814973012.db2.gz XXVZFNYMRKONHO-KGLIPLIRSA-N 2 1 264.417 2.256 20 0 CEADMP [NH3+]CC1(F)CC[NH+](Cc2c(F)cccc2F)CC1 ZINC001222531995 803892961 /nfs/dbraw/zinc/89/29/61/803892961.db2.gz IHLBDZBGAXHYNH-UHFFFAOYSA-N 2 1 258.287 2.228 20 0 CEADMP C(C[C@@H]1CCCS1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000715641855 814983885 /nfs/dbraw/zinc/98/38/85/814983885.db2.gz GUAUDMDIZPYPNW-MJBXVCDLSA-N 2 1 254.443 2.489 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118198557 814993045 /nfs/dbraw/zinc/99/30/45/814993045.db2.gz PCOROYQAVRXREV-UHFFFAOYSA-N 2 1 282.428 2.185 20 0 CEADMP Cc1[nH+]c(N)ccc1CNc1cccc2c1C[NH2+]CC2 ZINC001167785913 804162766 /nfs/dbraw/zinc/16/27/66/804162766.db2.gz GJRZYQBRHDOABS-UHFFFAOYSA-N 2 1 268.364 2.230 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)N1CC[N@H+]2CCC[C@@H]2C1 ZINC001167823857 804379040 /nfs/dbraw/zinc/37/90/40/804379040.db2.gz ADELCJLMFKDINT-JKSUJKDBSA-N 2 1 267.461 2.277 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027985501 804380594 /nfs/dbraw/zinc/38/05/94/804380594.db2.gz JGYPOMAFBVPBDJ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001027985501 804380602 /nfs/dbraw/zinc/38/06/02/804380602.db2.gz JGYPOMAFBVPBDJ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001027985501 804380610 /nfs/dbraw/zinc/38/06/10/804380610.db2.gz JGYPOMAFBVPBDJ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001167836772 804429363 /nfs/dbraw/zinc/42/93/63/804429363.db2.gz GYPDAAWOZYPHCS-KLHDSHLOSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC001167836743 804430302 /nfs/dbraw/zinc/43/03/02/804430302.db2.gz GNCYHHUGBIMWIO-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001167840382 804438998 /nfs/dbraw/zinc/43/89/98/804438998.db2.gz FZTUZWAHQUQKGM-HOCLYGCPSA-N 2 1 283.460 2.050 20 0 CEADMP CC(C)(C)OC(=O)C1([NH2+][C@H]2C[C@H]3C[C@H]3C2)CCC([NH3+])CC1 ZINC001167899382 804597824 /nfs/dbraw/zinc/59/78/24/804597824.db2.gz ZQEWMCMPMVAHSO-XOSDMQQXSA-N 2 1 294.439 2.356 20 0 CEADMP C[C@H]1CC[N@H+](CCc2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC000402053314 804651318 /nfs/dbraw/zinc/65/13/18/804651318.db2.gz SPUXEMFWXYUVOR-RYUDHWBXSA-N 2 1 268.351 2.424 20 0 CEADMP C[C@H]1CC[N@@H+](CCc2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC000402053314 804651321 /nfs/dbraw/zinc/65/13/21/804651321.db2.gz SPUXEMFWXYUVOR-RYUDHWBXSA-N 2 1 268.351 2.424 20 0 CEADMP C[C@@H](CC[NH2+]CCC(C)(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268413377 804660565 /nfs/dbraw/zinc/66/05/65/804660565.db2.gz DYPUGSUAHRZUCV-GJZGRUSLSA-N 2 1 297.487 2.249 20 0 CEADMP Cc1nccc(-c2ccc(NC(=[NH2+])SCC[NH3+])cc2)n1 ZINC001167911583 804692787 /nfs/dbraw/zinc/69/27/87/804692787.db2.gz AOYOZYNHCBUMAR-UHFFFAOYSA-N 2 1 287.392 2.491 20 0 CEADMP OCC[C@H]1CC12CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168374257 806981435 /nfs/dbraw/zinc/98/14/35/806981435.db2.gz YDHNBLSVXUYCTN-INIZCTEOSA-N 2 1 292.467 2.345 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000700802395 804891798 /nfs/dbraw/zinc/89/17/98/804891798.db2.gz IQEJQCUDPAHAGL-ZBFHGGJFSA-N 2 1 262.397 2.042 20 0 CEADMP C[NH+](C)CC1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168379667 807026043 /nfs/dbraw/zinc/02/60/43/807026043.db2.gz NPGNKCLHFKFQMJ-UHFFFAOYSA-N 2 1 279.472 2.134 20 0 CEADMP C[NH+](C)CC1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168379667 807026052 /nfs/dbraw/zinc/02/60/52/807026052.db2.gz NPGNKCLHFKFQMJ-UHFFFAOYSA-N 2 1 279.472 2.134 20 0 CEADMP CC(C)C[NH+]1CCC(NCC[C@@H]2CCC[N@H+]2C)CC1 ZINC000710354987 804993635 /nfs/dbraw/zinc/99/36/35/804993635.db2.gz BOHCTUYDERENNJ-INIZCTEOSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)[NH+]1CC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167965658 805466792 /nfs/dbraw/zinc/46/67/92/805466792.db2.gz JLNVVKFBEBMTMJ-ZXFUBFMLSA-N 2 1 277.456 2.074 20 0 CEADMP CC(C)[NH+]1CC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167965658 805466797 /nfs/dbraw/zinc/46/67/97/805466797.db2.gz JLNVVKFBEBMTMJ-ZXFUBFMLSA-N 2 1 277.456 2.074 20 0 CEADMP CC(C)N1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167965658 805466801 /nfs/dbraw/zinc/46/68/01/805466801.db2.gz JLNVVKFBEBMTMJ-ZXFUBFMLSA-N 2 1 277.456 2.074 20 0 CEADMP CC(C)N1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167965658 805466805 /nfs/dbraw/zinc/46/68/05/805466805.db2.gz JLNVVKFBEBMTMJ-ZXFUBFMLSA-N 2 1 277.456 2.074 20 0 CEADMP c1nocc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167975497 805507857 /nfs/dbraw/zinc/50/78/57/805507857.db2.gz QOBSUWQYSMKBEO-MQVJKMGUSA-N 2 1 275.396 2.212 20 0 CEADMP OC[C@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982018 805515887 /nfs/dbraw/zinc/51/58/87/805515887.db2.gz TWBUJYLRAZOREJ-LVYZTWJOSA-N 2 1 278.440 2.239 20 0 CEADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168394751 807071975 /nfs/dbraw/zinc/07/19/75/807071975.db2.gz FZDHHKUCXWHQGX-OAHLLOKOSA-N 2 1 294.439 2.136 20 0 CEADMP CC[C@@H](C)C[NH+]1CC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030442456 807190303 /nfs/dbraw/zinc/19/03/03/807190303.db2.gz UZPVYZINCYPHDV-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716279670 815109953 /nfs/dbraw/zinc/10/99/53/815109953.db2.gz SHAFDZXIWSUGTP-RRFJBIMHSA-N 2 1 266.429 2.395 20 0 CEADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000716302625 815111387 /nfs/dbraw/zinc/11/13/87/815111387.db2.gz PUWKTSDIKWHALA-ZBFHGGJFSA-N 2 1 264.413 2.021 20 0 CEADMP COC[C@H](C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)C(C)C ZINC000721970591 807540188 /nfs/dbraw/zinc/54/01/88/807540188.db2.gz BJHSHWNKRDGYJH-XGUBFFRZSA-N 2 1 256.434 2.210 20 0 CEADMP COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205093613 807569468 /nfs/dbraw/zinc/56/94/68/807569468.db2.gz CJYLNWTUZKXNIJ-ZDUSSCGKSA-N 2 1 294.395 2.026 20 0 CEADMP COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205093613 807569474 /nfs/dbraw/zinc/56/94/74/807569474.db2.gz CJYLNWTUZKXNIJ-ZDUSSCGKSA-N 2 1 294.395 2.026 20 0 CEADMP [NH3+][C@H]1CCC[N@H+](CCc2cc(F)cc(F)c2)CC1 ZINC001205094665 807581762 /nfs/dbraw/zinc/58/17/62/807581762.db2.gz NTVQGJKBTQLSDG-AWEZNQCLSA-N 2 1 254.324 2.321 20 0 CEADMP [NH3+][C@H]1CCC[N@@H+](CCc2cc(F)cc(F)c2)CC1 ZINC001205094665 807581767 /nfs/dbraw/zinc/58/17/67/807581767.db2.gz NTVQGJKBTQLSDG-AWEZNQCLSA-N 2 1 254.324 2.321 20 0 CEADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099233941 807776912 /nfs/dbraw/zinc/77/69/12/807776912.db2.gz DXYFBAPWSBNSDU-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099233941 807776915 /nfs/dbraw/zinc/77/69/15/807776915.db2.gz DXYFBAPWSBNSDU-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001099233941 807776918 /nfs/dbraw/zinc/77/69/18/807776918.db2.gz DXYFBAPWSBNSDU-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001031235178 807820261 /nfs/dbraw/zinc/82/02/61/807820261.db2.gz PJYDYFGLHQNMCF-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001031235178 807820270 /nfs/dbraw/zinc/82/02/70/807820270.db2.gz PJYDYFGLHQNMCF-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc(F)c1F ZINC001205151616 807830527 /nfs/dbraw/zinc/83/05/27/807830527.db2.gz XHCZQRNUYVYKRX-JOYOIKCWSA-N 2 1 254.324 2.300 20 0 CEADMP Cc1c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc(F)c1F ZINC001205151616 807830535 /nfs/dbraw/zinc/83/05/35/807830535.db2.gz XHCZQRNUYVYKRX-JOYOIKCWSA-N 2 1 254.324 2.300 20 0 CEADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089419167 807963505 /nfs/dbraw/zinc/96/35/05/807963505.db2.gz DBKNHAGLSZITNV-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP COc1ccc(C[C@H]2CCC[N@@H+](C[C@@H](C)[NH3+])C2)cc1 ZINC001236092150 807973133 /nfs/dbraw/zinc/97/31/33/807973133.db2.gz HXFLLDBRGPIVHJ-UKRRQHHQSA-N 2 1 262.397 2.297 20 0 CEADMP COc1ccc(C[C@H]2CCC[N@H+](C[C@@H](C)[NH3+])C2)cc1 ZINC001236092150 807973128 /nfs/dbraw/zinc/97/31/28/807973128.db2.gz HXFLLDBRGPIVHJ-UKRRQHHQSA-N 2 1 262.397 2.297 20 0 CEADMP Cc1cccnc1CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC001119901667 815168781 /nfs/dbraw/zinc/16/87/81/815168781.db2.gz ZZAKUOOLUYMWDM-IYBDPMFKSA-N 2 1 259.397 2.164 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCNc1ccc(C)c[nH+]1 ZINC001119904608 815169728 /nfs/dbraw/zinc/16/97/28/815169728.db2.gz FIZHEYXCKWOINT-CYBMUJFWSA-N 2 1 292.427 2.085 20 0 CEADMP Cn1nc2c(c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)CCC2 ZINC000921493969 808059132 /nfs/dbraw/zinc/05/91/32/808059132.db2.gz ZIZPUBDNXBRRFE-UHFFFAOYSA-N 2 1 290.455 2.308 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921495862 808059621 /nfs/dbraw/zinc/05/96/21/808059621.db2.gz IPMCPYDMOCWWLE-ZDUSSCGKSA-N 2 1 263.385 2.141 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnn(CCF)c1 ZINC000921496304 808060347 /nfs/dbraw/zinc/06/03/47/808060347.db2.gz RNMAWMGCMOZAJF-AWEZNQCLSA-N 2 1 282.407 2.207 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnn(CCF)c1 ZINC000921496304 808060354 /nfs/dbraw/zinc/06/03/54/808060354.db2.gz RNMAWMGCMOZAJF-AWEZNQCLSA-N 2 1 282.407 2.207 20 0 CEADMP c1[nH]nc2c1[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000353435878 808132034 /nfs/dbraw/zinc/13/20/34/808132034.db2.gz AJSMSJNIAYBCIZ-MBNYWOFBSA-N 2 1 260.385 2.004 20 0 CEADMP c1[nH]nc2c1[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000353435878 808132041 /nfs/dbraw/zinc/13/20/41/808132041.db2.gz AJSMSJNIAYBCIZ-MBNYWOFBSA-N 2 1 260.385 2.004 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]C[C@H](C)CC ZINC001127674486 808185482 /nfs/dbraw/zinc/18/54/82/808185482.db2.gz IOBGANVRIGBVHJ-KGLIPLIRSA-N 2 1 294.443 2.149 20 0 CEADMP CCCCC[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001127679664 808188875 /nfs/dbraw/zinc/18/88/75/808188875.db2.gz NQAJOHXIJHOIIZ-CQSZACIVSA-N 2 1 294.443 2.293 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2C1 ZINC001120071840 815195316 /nfs/dbraw/zinc/19/53/16/815195316.db2.gz NWHAAXQRIDRRFB-ZJIFWQFVSA-N 2 1 266.429 2.075 20 0 CEADMP CCCC[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C(N)=O ZINC001171629653 815201798 /nfs/dbraw/zinc/20/17/98/815201798.db2.gz AZLNDICVAGUYJK-ZDUSSCGKSA-N 2 1 283.460 2.272 20 0 CEADMP Cn1nccc1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171614021 815203624 /nfs/dbraw/zinc/20/36/24/815203624.db2.gz TZFATIIAIKAOOG-UHFFFAOYSA-N 2 1 264.417 2.161 20 0 CEADMP C[NH+]1C(C)(C)CC(N2CC[N@H+]3CC[C@@H]3C2)CC1(C)C ZINC001171641670 815214778 /nfs/dbraw/zinc/21/47/78/815214778.db2.gz SNEPSUXWDAQZSH-CYBMUJFWSA-N 2 1 265.445 2.028 20 0 CEADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)CC1 ZINC001205208450 808547527 /nfs/dbraw/zinc/54/75/27/808547527.db2.gz CNZQBGADAAYFRB-JYJNAYRXSA-N 2 1 266.429 2.155 20 0 CEADMP C[C@@H]1C[C@@H](n2ccc(C[NH3+])cc2=N)C[N@H+]1Cc1ccccc1 ZINC001171725858 815217931 /nfs/dbraw/zinc/21/79/31/815217931.db2.gz OHHVEXSCENBVKE-RHSMWYFYSA-N 2 1 296.418 2.262 20 0 CEADMP CC(C)N(CC[NH3+])[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171725423 815218326 /nfs/dbraw/zinc/21/83/26/815218326.db2.gz LHWHLFMZSWOBBY-DOTOQJQBSA-N 2 1 275.440 2.319 20 0 CEADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205219749 808618321 /nfs/dbraw/zinc/61/83/21/808618321.db2.gz GZUASGPBHDBRKO-KRWDZBQOSA-N 2 1 292.423 2.150 20 0 CEADMP C[C@@H]1C[C@H](N2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171746614 815224314 /nfs/dbraw/zinc/22/43/14/815224314.db2.gz QBCJJJHSNPOKJA-APWZRJJASA-N 2 1 299.462 2.429 20 0 CEADMP C[C@@H]1C[C@H](N2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171746614 815224317 /nfs/dbraw/zinc/22/43/17/815224317.db2.gz QBCJJJHSNPOKJA-APWZRJJASA-N 2 1 299.462 2.429 20 0 CEADMP CCCc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205228643 808640681 /nfs/dbraw/zinc/64/06/81/808640681.db2.gz GSDTVSVZHTVDHB-QGZVFWFLSA-N 2 1 276.424 2.315 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC3(CCCC3)C2)n1 ZINC000388632738 808686487 /nfs/dbraw/zinc/68/64/87/808686487.db2.gz IHFATAMLQLTDCF-UHFFFAOYSA-N 2 1 264.373 2.030 20 0 CEADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001171767238 815228680 /nfs/dbraw/zinc/22/86/80/815228680.db2.gz LZBCBESIIJDVEI-WNHJNPCNSA-N 2 1 299.462 2.428 20 0 CEADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171767238 815228682 /nfs/dbraw/zinc/22/86/82/815228682.db2.gz LZBCBESIIJDVEI-WNHJNPCNSA-N 2 1 299.462 2.428 20 0 CEADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171767238 815228685 /nfs/dbraw/zinc/22/86/85/815228685.db2.gz LZBCBESIIJDVEI-WNHJNPCNSA-N 2 1 299.462 2.428 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171772535 815230153 /nfs/dbraw/zinc/23/01/53/815230153.db2.gz DTBLHRKILQGSBC-CYBMUJFWSA-N 2 1 259.328 2.088 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171774123 815230249 /nfs/dbraw/zinc/23/02/49/815230249.db2.gz VJSRZVMERCVJJE-AWEZNQCLSA-N 2 1 262.372 2.367 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C12CCC2 ZINC000453106390 809036695 /nfs/dbraw/zinc/03/66/95/809036695.db2.gz JBBUWTBNCGKHRA-BPLDGKMQSA-N 2 1 277.412 2.375 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1=O ZINC001172038008 815276698 /nfs/dbraw/zinc/27/66/98/815276698.db2.gz BEUFAVYGHJDSJQ-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033532541 809330308 /nfs/dbraw/zinc/33/03/08/809330308.db2.gz SGWDKYNCVNAKJO-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000700830228 809358280 /nfs/dbraw/zinc/35/82/80/809358280.db2.gz GZEGCBHTIJBETC-DZGCQCFKSA-N 2 1 259.397 2.390 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000700830228 809358284 /nfs/dbraw/zinc/35/82/84/809358284.db2.gz GZEGCBHTIJBETC-DZGCQCFKSA-N 2 1 259.397 2.390 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCCCCO)C2 ZINC001172099984 815284524 /nfs/dbraw/zinc/28/45/24/815284524.db2.gz NZLHBQHUSRNIIQ-QKDCVEJESA-N 2 1 254.418 2.144 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCC[NH+]1CCCC1)C2 ZINC001172099738 815284572 /nfs/dbraw/zinc/28/45/72/815284572.db2.gz JOXOAGGFGUDDTH-PHZGNYQRSA-N 2 1 265.445 2.077 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C2 ZINC001172102924 815293999 /nfs/dbraw/zinc/29/39/99/815293999.db2.gz QQWZGFCHXIRVIA-VQHPVUNQSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172102924 815294002 /nfs/dbraw/zinc/29/40/02/815294002.db2.gz QQWZGFCHXIRVIA-VQHPVUNQSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172102924 815294004 /nfs/dbraw/zinc/29/40/04/815294004.db2.gz QQWZGFCHXIRVIA-VQHPVUNQSA-N 3 1 279.472 2.323 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C2 ZINC001172102924 815294006 /nfs/dbraw/zinc/29/40/06/815294006.db2.gz QQWZGFCHXIRVIA-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C2 ZINC001172102924 815294009 /nfs/dbraw/zinc/29/40/09/815294009.db2.gz QQWZGFCHXIRVIA-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(CO)c1)C2 ZINC001172107849 815295722 /nfs/dbraw/zinc/29/57/22/815295722.db2.gz KPYJDRVDSSMACH-OSYLJGHBSA-N 2 1 274.408 2.284 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4c3NCC4)C[C@]2(C)C1 ZINC000702380122 809545221 /nfs/dbraw/zinc/54/52/21/809545221.db2.gz VXVMUSYCMSHZKK-WBVHZDCISA-N 2 1 271.408 2.038 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc4c3NCC4)C[C@]2(C)C1 ZINC000702380122 809545226 /nfs/dbraw/zinc/54/52/26/809545226.db2.gz VXVMUSYCMSHZKK-WBVHZDCISA-N 2 1 271.408 2.038 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc4c3NCC4)C[C@]2(C)C1 ZINC000702380122 809545232 /nfs/dbraw/zinc/54/52/32/809545232.db2.gz VXVMUSYCMSHZKK-WBVHZDCISA-N 2 1 271.408 2.038 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4c3NCC4)C[C@]2(C)C1 ZINC000702380122 809545237 /nfs/dbraw/zinc/54/52/37/809545237.db2.gz VXVMUSYCMSHZKK-WBVHZDCISA-N 2 1 271.408 2.038 20 0 CEADMP C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cnccn1 ZINC001172108875 815298555 /nfs/dbraw/zinc/29/85/55/815298555.db2.gz HESUGYSQUVCEBK-YIYPIFLZSA-N 2 1 260.385 2.143 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cnccn1 ZINC001172108875 815298558 /nfs/dbraw/zinc/29/85/58/815298558.db2.gz HESUGYSQUVCEBK-YIYPIFLZSA-N 2 1 260.385 2.143 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cnccn1 ZINC001172108875 815298562 /nfs/dbraw/zinc/29/85/62/815298562.db2.gz HESUGYSQUVCEBK-YIYPIFLZSA-N 2 1 260.385 2.143 20 0 CEADMP CC[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034248613 809560529 /nfs/dbraw/zinc/56/05/29/809560529.db2.gz DWUQJDQRICKBOB-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034248613 809560532 /nfs/dbraw/zinc/56/05/32/809560532.db2.gz DWUQJDQRICKBOB-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034248613 809560536 /nfs/dbraw/zinc/56/05/36/809560536.db2.gz DWUQJDQRICKBOB-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432618 809606906 /nfs/dbraw/zinc/60/69/06/809606906.db2.gz WSUURIKWRLJJAB-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034463386 809610590 /nfs/dbraw/zinc/61/05/90/809610590.db2.gz TVGYKXXJXAMQDF-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+](C3CCC3)CC1)C2 ZINC001172113532 815304032 /nfs/dbraw/zinc/30/40/32/815304032.db2.gz JRSGYDBWNHUKGM-BJWYYQGGSA-N 2 1 277.456 2.172 20 0 CEADMP CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001034663055 809652550 /nfs/dbraw/zinc/65/25/50/809652550.db2.gz PGJCUSFGOIHOHV-JYJNAYRXSA-N 2 1 295.471 2.286 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1C ZINC000703613094 809670755 /nfs/dbraw/zinc/67/07/55/809670755.db2.gz ALBUWQJPKVORFX-GOEBONIOSA-N 2 1 260.381 2.045 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1C ZINC000703613094 809670757 /nfs/dbraw/zinc/67/07/57/809670757.db2.gz ALBUWQJPKVORFX-GOEBONIOSA-N 2 1 260.381 2.045 20 0 CEADMP Cc1ncc2n1CCN([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172121343 815309375 /nfs/dbraw/zinc/30/93/75/815309375.db2.gz PPSNVQHPHLEOLW-FICVDOATSA-N 2 1 274.412 2.022 20 0 CEADMP Cc1[nH+]cc2n1CCN([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172121343 815309382 /nfs/dbraw/zinc/30/93/82/815309382.db2.gz PPSNVQHPHLEOLW-FICVDOATSA-N 2 1 274.412 2.022 20 0 CEADMP Cc1[nH+]cc2n1CCN([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172121343 815309388 /nfs/dbraw/zinc/30/93/88/815309388.db2.gz PPSNVQHPHLEOLW-FICVDOATSA-N 2 1 274.412 2.022 20 0 CEADMP CCCC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172120127 815309690 /nfs/dbraw/zinc/30/96/90/815309690.db2.gz CUHDRSNWTMDSEU-BJWYYQGGSA-N 2 1 279.472 2.419 20 0 CEADMP C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H](C)[N@@H+]1C ZINC001172124009 815314578 /nfs/dbraw/zinc/31/45/78/815314578.db2.gz IPOWWUJAPFYMNT-FRXHMLBDSA-N 2 1 265.445 2.026 20 0 CEADMP C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)[NH+]1C ZINC001172124009 815314583 /nfs/dbraw/zinc/31/45/83/815314583.db2.gz IPOWWUJAPFYMNT-FRXHMLBDSA-N 2 1 265.445 2.026 20 0 CEADMP C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH+]1C ZINC001172124009 815314589 /nfs/dbraw/zinc/31/45/89/815314589.db2.gz IPOWWUJAPFYMNT-FRXHMLBDSA-N 2 1 265.445 2.026 20 0 CEADMP C[NH+]1C[C@]2(C)C[NH+](Cc3cccc(N)c3)C[C@@]2(C)C1 ZINC000707051018 809873029 /nfs/dbraw/zinc/87/30/29/809873029.db2.gz BMLNXLCHEWYCHN-HZPDHXFCSA-N 2 1 259.397 2.042 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000709701367 809952493 /nfs/dbraw/zinc/95/24/93/809952493.db2.gz DOTBXGLSLHWHNL-AVGNSLFASA-N 2 1 254.418 2.249 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCOCc1ccccc1)C2 ZINC000709803385 809970399 /nfs/dbraw/zinc/97/03/99/809970399.db2.gz PLAUGTMHVKTRAZ-ULQDDVLXSA-N 2 1 274.408 2.405 20 0 CEADMP c1csc([C@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)n1 ZINC000710469936 809989517 /nfs/dbraw/zinc/98/95/17/809989517.db2.gz ZUSBIAIMAHIYDP-OLZOCXBDSA-N 2 1 265.426 2.322 20 0 CEADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923371862 810089105 /nfs/dbraw/zinc/08/91/05/810089105.db2.gz ARASPMDQIYNRRU-AWEZNQCLSA-N 2 1 262.401 2.306 20 0 CEADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923371862 810089108 /nfs/dbraw/zinc/08/91/08/810089108.db2.gz ARASPMDQIYNRRU-AWEZNQCLSA-N 2 1 262.401 2.306 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923359792 810089406 /nfs/dbraw/zinc/08/94/06/810089406.db2.gz VHFXLOMKDRVJPU-BBWFWOEESA-N 2 1 282.472 2.495 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015930767 810374356 /nfs/dbraw/zinc/37/43/56/810374356.db2.gz VEXHLGBVWQHMGY-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)CO1 ZINC001172279907 815375031 /nfs/dbraw/zinc/37/50/31/815375031.db2.gz MEXVCWSYGMJZMZ-ZIAGYGMSSA-N 2 1 254.418 2.395 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000823765137 810627234 /nfs/dbraw/zinc/62/72/34/810627234.db2.gz XQPPMOLXWQCJKM-YOEHRIQHSA-N 2 1 273.424 2.477 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](COC)C1 ZINC001258907890 810695973 /nfs/dbraw/zinc/69/59/73/810695973.db2.gz NWNQJWGBFHAZHF-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]C(C)C)C1 ZINC001019632733 810725423 /nfs/dbraw/zinc/72/54/23/810725423.db2.gz WSZIWOPEMVZLBA-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172333982 815393474 /nfs/dbraw/zinc/39/34/74/815393474.db2.gz YWLZAVHJAJXURX-JONQDZQNSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001172333982 815393479 /nfs/dbraw/zinc/39/34/79/815393479.db2.gz YWLZAVHJAJXURX-JONQDZQNSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001172333982 815393484 /nfs/dbraw/zinc/39/34/84/815393484.db2.gz YWLZAVHJAJXURX-JONQDZQNSA-N 2 1 268.445 2.464 20 0 CEADMP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001020238774 810782903 /nfs/dbraw/zinc/78/29/03/810782903.db2.gz BYMQOJAEUWGUPW-JYJNAYRXSA-N 2 1 295.471 2.142 20 0 CEADMP CN(C[C@H]1CC[N@H+]1CCC(C)(C)C)C(=O)[C@@H]1CCC[NH+]1C ZINC001085518802 810804788 /nfs/dbraw/zinc/80/47/88/810804788.db2.gz ZMRVJVSLFDPMFW-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP CN(C[C@H]1CC[NH+]1CCC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001085518802 810804797 /nfs/dbraw/zinc/80/47/97/810804797.db2.gz ZMRVJVSLFDPMFW-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP CN(C[C@H]1CC[NH+]1CCC(C)(C)C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001085518802 810804806 /nfs/dbraw/zinc/80/48/06/810804806.db2.gz ZMRVJVSLFDPMFW-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)COCC[C@H](C)[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001172479316 815432456 /nfs/dbraw/zinc/43/24/56/815432456.db2.gz CEOGTVUDXDYHEH-XHSDSOJGSA-N 2 1 268.445 2.464 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205995342 811284401 /nfs/dbraw/zinc/28/44/01/811284401.db2.gz NSPFTOKQLQEIGH-ZIAGYGMSSA-N 2 1 264.417 2.271 20 0 CEADMP CC(C)OCC[C@H](C)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001172452453 815442333 /nfs/dbraw/zinc/44/23/33/815442333.db2.gz SYVKCHYDIRIMEO-AWEZNQCLSA-N 2 1 297.443 2.320 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001169100255 811374957 /nfs/dbraw/zinc/37/49/57/811374957.db2.gz HNFLFXOBYZUYSO-PWJBLNORSA-N 2 1 277.456 2.217 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001169100255 811374965 /nfs/dbraw/zinc/37/49/65/811374965.db2.gz HNFLFXOBYZUYSO-PWJBLNORSA-N 2 1 277.456 2.217 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001169100255 811374978 /nfs/dbraw/zinc/37/49/78/811374978.db2.gz HNFLFXOBYZUYSO-PWJBLNORSA-N 2 1 277.456 2.217 20 0 CEADMP COc1cccc(OCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169089288 811380433 /nfs/dbraw/zinc/38/04/33/811380433.db2.gz AUFQLQNSDNGMBW-QDMKHBRRSA-N 2 1 290.407 2.289 20 0 CEADMP CCCC[N@@H+](C)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169091579 811384684 /nfs/dbraw/zinc/38/46/84/811384684.db2.gz STFNILXCUMRMNQ-MUJYYYPQSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091579 811384690 /nfs/dbraw/zinc/38/46/90/811384690.db2.gz STFNILXCUMRMNQ-MUJYYYPQSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091579 811384700 /nfs/dbraw/zinc/38/47/00/811384700.db2.gz STFNILXCUMRMNQ-MUJYYYPQSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[N@H+](C)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169091579 811384712 /nfs/dbraw/zinc/38/47/12/811384712.db2.gz STFNILXCUMRMNQ-MUJYYYPQSA-N 3 1 267.461 2.323 20 0 CEADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169091579 811384722 /nfs/dbraw/zinc/38/47/22/811384722.db2.gz STFNILXCUMRMNQ-MUJYYYPQSA-N 3 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091579 811384733 /nfs/dbraw/zinc/38/47/33/811384733.db2.gz STFNILXCUMRMNQ-MUJYYYPQSA-N 3 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091579 811384743 /nfs/dbraw/zinc/38/47/43/811384743.db2.gz STFNILXCUMRMNQ-MUJYYYPQSA-N 3 1 267.461 2.323 20 0 CEADMP Cc1cccc([C@@H](CO)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169117859 811385766 /nfs/dbraw/zinc/38/57/66/811385766.db2.gz AWQYDFWYMMSGQN-WCXIOVBPSA-N 2 1 274.408 2.243 20 0 CEADMP Cc1cccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169117859 811385776 /nfs/dbraw/zinc/38/57/76/811385776.db2.gz AWQYDFWYMMSGQN-WCXIOVBPSA-N 2 1 274.408 2.243 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC3(C1)CC[NH+](CC1CC1)C3)C2 ZINC001169132946 811399447 /nfs/dbraw/zinc/39/94/47/811399447.db2.gz ADFILCIJJRJIDS-BJWYYQGGSA-N 2 1 289.467 2.029 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC3(C1)CC[N@H+](CC1CC1)C3)C2 ZINC001169132946 811399454 /nfs/dbraw/zinc/39/94/54/811399454.db2.gz ADFILCIJJRJIDS-BJWYYQGGSA-N 2 1 289.467 2.029 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N1CC3(C1)CC[N@@H+](CC1CC1)C3)C2 ZINC001169132946 811399462 /nfs/dbraw/zinc/39/94/62/811399462.db2.gz ADFILCIJJRJIDS-BJWYYQGGSA-N 2 1 289.467 2.029 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cncc(Cl)c1)C2 ZINC001169107478 811400783 /nfs/dbraw/zinc/40/07/83/811400783.db2.gz HUFZLSGPBIUZJH-BTTYYORXSA-N 2 1 265.788 2.450 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cncc(Cl)c1)C2 ZINC001169107478 811400787 /nfs/dbraw/zinc/40/07/87/811400787.db2.gz HUFZLSGPBIUZJH-BTTYYORXSA-N 2 1 265.788 2.450 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@](C)(CO)c1ccccc1)C2 ZINC001169114904 811406572 /nfs/dbraw/zinc/40/65/72/811406572.db2.gz ZMUNIUCAPPFHGK-YVSFHVDLSA-N 2 1 274.408 2.109 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@](C)(CO)c1ccccc1)C2 ZINC001169114904 811406580 /nfs/dbraw/zinc/40/65/80/811406580.db2.gz ZMUNIUCAPPFHGK-YVSFHVDLSA-N 2 1 274.408 2.109 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](c3ccccn3)C1)C2 ZINC001169142765 811409354 /nfs/dbraw/zinc/40/93/54/811409354.db2.gz VKIOTVMPNZHCDU-CAOSSQGBSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](c3ccccn3)C1)C2 ZINC001169142765 811409357 /nfs/dbraw/zinc/40/93/57/811409357.db2.gz VKIOTVMPNZHCDU-CAOSSQGBSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](c3ccccn3)C1)C2 ZINC001169142765 811409361 /nfs/dbraw/zinc/40/93/61/811409361.db2.gz VKIOTVMPNZHCDU-CAOSSQGBSA-N 2 1 271.408 2.496 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144608 811411174 /nfs/dbraw/zinc/41/11/74/811411174.db2.gz KLAFUNUJCRICBW-QDMKHBRRSA-N 2 1 288.391 2.472 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144608 811411179 /nfs/dbraw/zinc/41/11/79/811411179.db2.gz KLAFUNUJCRICBW-QDMKHBRRSA-N 2 1 288.391 2.472 20 0 CEADMP C[NH+](Cc1ccc2c(c1)OCO2)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144608 811411184 /nfs/dbraw/zinc/41/11/84/811411184.db2.gz KLAFUNUJCRICBW-QDMKHBRRSA-N 2 1 288.391 2.472 20 0 CEADMP C[NH+](Cc1ccc2c(c1)OCO2)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144608 811411189 /nfs/dbraw/zinc/41/11/89/811411189.db2.gz KLAFUNUJCRICBW-QDMKHBRRSA-N 2 1 288.391 2.472 20 0 CEADMP CCOC(=O)[C@H]1CCCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169152228 811414433 /nfs/dbraw/zinc/41/44/33/811414433.db2.gz BKSIVDZILKWHSX-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)[C@H]1CCCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169152228 811414437 /nfs/dbraw/zinc/41/44/37/811414437.db2.gz BKSIVDZILKWHSX-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)[C@H]1CCCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169152228 811414441 /nfs/dbraw/zinc/41/44/41/811414441.db2.gz BKSIVDZILKWHSX-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3ccnn32)CCC[C@H]1C[NH3+] ZINC001206003367 811420310 /nfs/dbraw/zinc/42/03/10/811420310.db2.gz HDBHMVMGSFXLRK-KGLIPLIRSA-N 2 1 272.396 2.141 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3[C@H]2O)CC1 ZINC001169229564 811442285 /nfs/dbraw/zinc/44/22/85/811442285.db2.gz BIHTWCXXIVEPMC-IAGOWNOFSA-N 2 1 274.408 2.109 20 0 CEADMP CC[NH+]1CCC([NH2+]CCOc2cccc(F)c2)CC1 ZINC001169230443 811444706 /nfs/dbraw/zinc/44/47/06/811444706.db2.gz BOLPJVFHSPLNRF-UHFFFAOYSA-N 2 1 266.360 2.278 20 0 CEADMP C[C@H]([NH3+])c1ccn(-c2ccc([C@H]3CCCC[N@H+]3C)cn2)n1 ZINC001169231467 811446246 /nfs/dbraw/zinc/44/62/46/811446246.db2.gz KABXTEIJGJCGJW-SWLSCSKDSA-N 2 1 285.395 2.444 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cc(C)ncc32)CC1 ZINC001169238413 811456759 /nfs/dbraw/zinc/45/67/59/811456759.db2.gz HLWYLYUZKRIWPG-INIZCTEOSA-N 2 1 259.397 2.451 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccccn3)C2)CC1 ZINC001169238438 811457290 /nfs/dbraw/zinc/45/72/90/811457290.db2.gz IIDJTZPPMNEWEN-MRXNPFEDSA-N 2 1 288.439 2.124 20 0 CEADMP CCOC(=O)C[C@H]1CCC[N@H+](C2CCN(CC)CC2)C1 ZINC001169246250 811459799 /nfs/dbraw/zinc/45/97/99/811459799.db2.gz QPNQGZBZZIDMAL-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)C[C@H]1CCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC001169246250 811459813 /nfs/dbraw/zinc/45/98/13/811459813.db2.gz QPNQGZBZZIDMAL-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CC1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC001169249659 811463811 /nfs/dbraw/zinc/46/38/11/811463811.db2.gz IPBYPJSUEKONEI-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@H]1C[N@@H+](Cc2scc3c2OCCO3)CCC[C@H]1C[NH3+] ZINC001206011887 811513759 /nfs/dbraw/zinc/51/37/59/811513759.db2.gz GZRPLSOPNAXNRM-RYUDHWBXSA-N 2 1 296.436 2.326 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(F)ccn2)CCC[C@@H]1C[NH3+] ZINC001206011828 811514118 /nfs/dbraw/zinc/51/41/18/811514118.db2.gz GTDFRMBEDMUJQP-VXGBXAGGSA-N 2 1 251.349 2.028 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001045068800 811573269 /nfs/dbraw/zinc/57/32/69/811573269.db2.gz RJXASFFEGHUJHH-HOTGVXAUSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001045068798 811574089 /nfs/dbraw/zinc/57/40/89/811574089.db2.gz RJXASFFEGHUJHH-CVEARBPZSA-N 2 1 295.471 2.238 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1OC ZINC001206165144 815458853 /nfs/dbraw/zinc/45/88/53/815458853.db2.gz MGBLCUAHWITULB-ZIAGYGMSSA-N 2 1 296.386 2.355 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1OC ZINC001206165144 815458856 /nfs/dbraw/zinc/45/88/56/815458856.db2.gz MGBLCUAHWITULB-ZIAGYGMSSA-N 2 1 296.386 2.355 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3nccn3c2)CCC[C@H]1C[NH3+] ZINC001206013226 811587311 /nfs/dbraw/zinc/58/73/11/811587311.db2.gz QNHKJXLXGSROEN-HIFRSBDPSA-N 2 1 272.396 2.141 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC ZINC001045271225 811588078 /nfs/dbraw/zinc/58/80/78/811588078.db2.gz SLNHLVIJASDEDQ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCOC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001169649909 811605262 /nfs/dbraw/zinc/60/52/62/811605262.db2.gz UVTUVBHOGQCKHV-HUUCEWRRSA-N 2 1 297.443 2.071 20 0 CEADMP CCOC(=O)N1CCC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC001169652407 811607459 /nfs/dbraw/zinc/60/74/59/811607459.db2.gz PAIVFVDHJAMYCG-SLTAFYQDSA-N 2 1 297.443 2.199 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001172591570 815465594 /nfs/dbraw/zinc/46/55/94/815465594.db2.gz KAEQLMLOIGEHHW-ZNMIVQPWSA-N 2 1 282.428 2.040 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(F)cn1 ZINC001206022107 811683602 /nfs/dbraw/zinc/68/36/02/811683602.db2.gz BIGCQFMRXMQNSL-VXGBXAGGSA-N 2 1 281.375 2.036 20 0 CEADMP C[NH+](C)C[C@@]12C[C@@H]1CN(c1[nH+]ccc3c4c([nH]c31)CCC4)C2 ZINC001156402090 811705987 /nfs/dbraw/zinc/70/59/87/811705987.db2.gz QFICWQVYUFMFDG-KZULUSFZSA-N 2 1 296.418 2.440 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c(F)ccc(O)c2F)CCC[C@@H]1C[NH3+] ZINC001206024881 811706117 /nfs/dbraw/zinc/70/61/17/811706117.db2.gz LOTXJAWWVIFMQI-GHMZBOCLSA-N 2 1 284.350 2.477 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169988493 811843703 /nfs/dbraw/zinc/84/37/03/811843703.db2.gz XSJLDDDYLIEQTG-GXTWGEPZSA-N 2 1 283.460 2.327 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169988493 811843712 /nfs/dbraw/zinc/84/37/12/811843712.db2.gz XSJLDDDYLIEQTG-GXTWGEPZSA-N 2 1 283.460 2.327 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccn3nccc3c2)CCC[C@@H]1C[NH3+] ZINC001206027951 811886004 /nfs/dbraw/zinc/88/60/04/811886004.db2.gz XKSUZAAIHIRFFB-UKRRQHHQSA-N 2 1 272.396 2.141 20 0 CEADMP C[C@@H](C(=O)OCC[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000770380258 811921569 /nfs/dbraw/zinc/92/15/69/811921569.db2.gz GAVXZUMBGVQNCV-HNNXBMFYSA-N 2 1 282.428 2.280 20 0 CEADMP [NH3+]Cc1ccc2nnn(-c3cc[nH+]c(C4CC4)c3)c2c1 ZINC001170025481 811960214 /nfs/dbraw/zinc/96/02/14/811960214.db2.gz BPXBAGWFEQINIY-UHFFFAOYSA-N 2 1 265.320 2.152 20 0 CEADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868136 811963376 /nfs/dbraw/zinc/96/33/76/811963376.db2.gz CNRRUHUWFLFBJS-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(C)C ZINC001110019006 811985208 /nfs/dbraw/zinc/98/52/08/811985208.db2.gz AXCHNFMWJNMMOL-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C ZINC001110019006 811985209 /nfs/dbraw/zinc/98/52/09/811985209.db2.gz AXCHNFMWJNMMOL-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001110019006 811985214 /nfs/dbraw/zinc/98/52/14/811985214.db2.gz AXCHNFMWJNMMOL-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP N[C@@H]1CC[N@@H+](Cc2cccc3ccncc32)CC[C@H]1F ZINC001206172529 815488368 /nfs/dbraw/zinc/48/83/68/815488368.db2.gz AKWHPRSJFADUQD-HZPDHXFCSA-N 2 1 273.355 2.496 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3ccncc32)CC[C@H]1F ZINC001206172529 815488373 /nfs/dbraw/zinc/48/83/73/815488373.db2.gz AKWHPRSJFADUQD-HZPDHXFCSA-N 2 1 273.355 2.496 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(C)C)C1 ZINC001086559371 812071101 /nfs/dbraw/zinc/07/11/01/812071101.db2.gz UXDYCXJRNUJFOU-JYJNAYRXSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)OC(=O)CC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001172749510 815503376 /nfs/dbraw/zinc/50/33/76/815503376.db2.gz BRXZUWQWNDRLNQ-LSDHHAIUSA-N 2 1 284.444 2.428 20 0 CEADMP CCCCCCN1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001113019517 812145465 /nfs/dbraw/zinc/14/54/65/812145465.db2.gz RMCZLPBRYIICBV-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001113019517 812145469 /nfs/dbraw/zinc/14/54/69/812145469.db2.gz RMCZLPBRYIICBV-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CC[N@H+](C)C(C)(C)C(=O)N1CC[NH+](CCCC(C)C)CC1 ZINC001113035187 812149806 /nfs/dbraw/zinc/14/98/06/812149806.db2.gz OGPTUUWKXOJAIZ-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+](CCCC(C)C)CC1 ZINC001113035187 812149811 /nfs/dbraw/zinc/14/98/11/812149811.db2.gz OGPTUUWKXOJAIZ-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP CC(C)OC(=O)CC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001172756644 815507754 /nfs/dbraw/zinc/50/77/54/815507754.db2.gz PJQXRVVQRDEKMO-KBPBESRZSA-N 2 1 270.417 2.038 20 0 CEADMP CCCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441830 812240759 /nfs/dbraw/zinc/24/07/59/812240759.db2.gz WQFHDCOAYNUFSW-INIZCTEOSA-N 2 1 297.487 2.297 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CC[NH+](CCCC2CCC2)CC1 ZINC001113498976 812262944 /nfs/dbraw/zinc/26/29/44/812262944.db2.gz BLJLUBSSPYAAMH-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](C)CC1 ZINC001170406413 812406121 /nfs/dbraw/zinc/40/61/21/812406121.db2.gz YPXDLXRXLXSMKI-CQSZACIVSA-N 2 1 290.407 2.420 20 0 CEADMP Cc1cc2c(cn1)[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)CC2 ZINC001254511267 812424720 /nfs/dbraw/zinc/42/47/20/812424720.db2.gz YBRPOLUNWGOSLQ-GDBMZVCRSA-N 2 1 259.397 2.451 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+]CCOc2cc(Cl)ccn2)CC1 ZINC001254514624 812425532 /nfs/dbraw/zinc/42/55/32/812425532.db2.gz NJWZUZPXHFTXBR-ZDUSSCGKSA-N 2 1 283.803 2.188 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@H]2CCC[N@H+](C)CC2)c1 ZINC001254509726 812428260 /nfs/dbraw/zinc/42/82/60/812428260.db2.gz PSYYRVJTZFYCQL-AWEZNQCLSA-N 2 1 266.360 2.408 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC001254509726 812428263 /nfs/dbraw/zinc/42/82/63/812428263.db2.gz PSYYRVJTZFYCQL-AWEZNQCLSA-N 2 1 266.360 2.408 20 0 CEADMP C[N@@H+]1CCC[C@@H]([NH+]2CCOc3ccccc3C2)CC1 ZINC001254524605 812438948 /nfs/dbraw/zinc/43/89/48/812438948.db2.gz XQFRUDORXOZRHP-OAHLLOKOSA-N 2 1 260.381 2.365 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH+]2CCOc3ccccc3C2)CC1 ZINC001254524605 812438956 /nfs/dbraw/zinc/43/89/56/812438956.db2.gz XQFRUDORXOZRHP-OAHLLOKOSA-N 2 1 260.381 2.365 20 0 CEADMP C[NH+]1CCC[C@@H]([N@@H+]2CCOc3ccccc3C2)CC1 ZINC001254524605 812438963 /nfs/dbraw/zinc/43/89/63/812438963.db2.gz XQFRUDORXOZRHP-OAHLLOKOSA-N 2 1 260.381 2.365 20 0 CEADMP C[NH+]1CCC[C@@H]([N@H+]2CCOc3ccccc3C2)CC1 ZINC001254524605 812438969 /nfs/dbraw/zinc/43/89/69/812438969.db2.gz XQFRUDORXOZRHP-OAHLLOKOSA-N 2 1 260.381 2.365 20 0 CEADMP CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052835857 812464297 /nfs/dbraw/zinc/46/42/97/812464297.db2.gz DXSIWTSGLPMVFT-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1ccccc1 ZINC001130421646 812566115 /nfs/dbraw/zinc/56/61/15/812566115.db2.gz DIPLHBXJHKWUGA-CQSZACIVSA-N 2 1 291.439 2.184 20 0 CEADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C(C)C)C[C@H]2C)C1 ZINC001170535296 812635784 /nfs/dbraw/zinc/63/57/84/812635784.db2.gz AOKQQAFPHQJNFT-KBXIAJHMSA-N 2 1 282.428 2.037 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[N@@H+](C2)[C@@H]3C)C1 ZINC001172919612 815545597 /nfs/dbraw/zinc/54/55/97/815545597.db2.gz CGIMBRSTDWSOHM-NIFZNCRKSA-N 2 1 252.402 2.016 20 0 CEADMP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001050368151 812810347 /nfs/dbraw/zinc/81/03/47/812810347.db2.gz UMIJHOUPBWFLKW-BZUAXINKSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001050368438 812811431 /nfs/dbraw/zinc/81/14/31/812811431.db2.gz WLIDLXFOOAZZMF-JYJNAYRXSA-N 2 1 295.471 2.144 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCC2)C1 ZINC001132375231 812837970 /nfs/dbraw/zinc/83/79/70/812837970.db2.gz BVLIEIIRBKMLJJ-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CCC2)C1 ZINC001132410870 812844656 /nfs/dbraw/zinc/84/46/56/812844656.db2.gz PHCDYDCGWFTEKC-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132410870 812844664 /nfs/dbraw/zinc/84/46/64/812844664.db2.gz PHCDYDCGWFTEKC-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCC2)C1 ZINC001132410870 812844669 /nfs/dbraw/zinc/84/46/69/812844669.db2.gz PHCDYDCGWFTEKC-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC=C(C)C)C1 ZINC001132411453 812846691 /nfs/dbraw/zinc/84/66/91/812846691.db2.gz ZTOKOJWSCXTNQF-HOTGVXAUSA-N 2 1 295.471 2.264 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC=C(C)C)C1 ZINC001132411453 812846697 /nfs/dbraw/zinc/84/66/97/812846697.db2.gz ZTOKOJWSCXTNQF-HOTGVXAUSA-N 2 1 295.471 2.264 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132411453 812846704 /nfs/dbraw/zinc/84/67/04/812846704.db2.gz ZTOKOJWSCXTNQF-HOTGVXAUSA-N 2 1 295.471 2.264 20 0 CEADMP CCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132738950 812935051 /nfs/dbraw/zinc/93/50/51/812935051.db2.gz LBJIDLGLBPPXLB-HNNXBMFYSA-N 2 1 283.460 2.004 20 0 CEADMP CC(C)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132795819 812947797 /nfs/dbraw/zinc/94/77/97/812947797.db2.gz ZOIVQTLFHBOBEP-MRXNPFEDSA-N 2 1 295.471 2.145 20 0 CEADMP CCC/C=C\CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886133 812956795 /nfs/dbraw/zinc/95/67/95/812956795.db2.gz DFRGZFVSEDFHNZ-KQLNYGGHSA-N 2 1 295.471 2.169 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C(C)C)CC1 ZINC001052367882 812981628 /nfs/dbraw/zinc/98/16/28/812981628.db2.gz CTWUHZZKRLXBKQ-CVEARBPZSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC001052367882 812981633 /nfs/dbraw/zinc/98/16/33/812981633.db2.gz CTWUHZZKRLXBKQ-CVEARBPZSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC001052367882 812981636 /nfs/dbraw/zinc/98/16/36/812981636.db2.gz CTWUHZZKRLXBKQ-CVEARBPZSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052619410 813014073 /nfs/dbraw/zinc/01/40/73/813014073.db2.gz GPGVTSORRRIXTI-HNNXBMFYSA-N 2 1 295.471 2.240 20 0 CEADMP CN(C[C@H]1CCC[NH2+]1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382763484 813091231 /nfs/dbraw/zinc/09/12/31/813091231.db2.gz OLXXFLURIKCUCX-ZWKOTPCHSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC1CCC(C)CC1 ZINC001133820079 813158747 /nfs/dbraw/zinc/15/87/47/813158747.db2.gz XTDVVOOKPJYMBU-HWOWSKLDSA-N 2 1 295.471 2.003 20 0 CEADMP CCNC(=[NH2+])NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000386494528 813169066 /nfs/dbraw/zinc/16/90/66/813169066.db2.gz BNRPQVIJOJALIP-UHFFFAOYSA-N 2 1 274.412 2.175 20 0 CEADMP CCNC(=[NH2+])NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386494528 813169070 /nfs/dbraw/zinc/16/90/70/813169070.db2.gz BNRPQVIJOJALIP-UHFFFAOYSA-N 2 1 274.412 2.175 20 0 CEADMP C[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000390363257 813263907 /nfs/dbraw/zinc/26/39/07/813263907.db2.gz PPOKWZNDGUIEDM-GDBMZVCRSA-N 2 1 262.397 2.262 20 0 CEADMP C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000390363257 813263909 /nfs/dbraw/zinc/26/39/09/813263909.db2.gz PPOKWZNDGUIEDM-GDBMZVCRSA-N 2 1 262.397 2.262 20 0 CEADMP C[N@H+]1CCC[C@@H](NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC001255475085 813281200 /nfs/dbraw/zinc/28/12/00/813281200.db2.gz LFHNDCQTABHRMA-QGZVFWFLSA-N 2 1 279.472 2.325 20 0 CEADMP CN1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001255475085 813281204 /nfs/dbraw/zinc/28/12/04/813281204.db2.gz LFHNDCQTABHRMA-QGZVFWFLSA-N 2 1 279.472 2.325 20 0 CEADMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+]CCC(C)(C)C ZINC001134570181 813290735 /nfs/dbraw/zinc/29/07/35/813290735.db2.gz LDEPSDYFXHHDBU-UHFFFAOYSA-N 2 1 294.443 2.149 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135102734 813365227 /nfs/dbraw/zinc/36/52/27/813365227.db2.gz LYADEHRUYAFNNF-JKSUJKDBSA-N 2 1 295.471 2.289 20 0 CEADMP C[N@H+]1CCC[C@H](N2CCCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001255485482 813423430 /nfs/dbraw/zinc/42/34/30/813423430.db2.gz CJKXDBUQDHSZGM-JKSUJKDBSA-N 2 1 265.445 2.031 20 0 CEADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170824297 813467172 /nfs/dbraw/zinc/46/71/72/813467172.db2.gz YBUKCVVJOLQJFW-OAHLLOKOSA-N 2 1 289.423 2.498 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071796645 813485167 /nfs/dbraw/zinc/48/51/67/813485167.db2.gz VGLCKXLQTZFPPB-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]C(C)C ZINC001135680276 813501281 /nfs/dbraw/zinc/50/12/81/813501281.db2.gz UDTBOFODKBNNMS-UONOGXRCSA-N 2 1 294.443 2.253 20 0 CEADMP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135981235 813578035 /nfs/dbraw/zinc/57/80/35/813578035.db2.gz ZZGJDWLSDLRZLR-KGLIPLIRSA-N 2 1 271.449 2.001 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000396669186 813580908 /nfs/dbraw/zinc/58/09/08/813580908.db2.gz PVOHNFXWZTZVEX-SWLSCSKDSA-N 2 1 257.381 2.441 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2COc3ccccc3O2)C[C@@H]1C[NH3+] ZINC000397276463 813609155 /nfs/dbraw/zinc/60/91/55/813609155.db2.gz PJXQETHZKBKLBN-CBBWQLFWSA-N 2 1 290.407 2.132 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CC1(C)C ZINC000397609783 813628996 /nfs/dbraw/zinc/62/89/96/813628996.db2.gz HKVUCRNHHWSIDZ-XGUBFFRZSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CC1(C)C ZINC000397609783 813629002 /nfs/dbraw/zinc/62/90/02/813629002.db2.gz HKVUCRNHHWSIDZ-XGUBFFRZSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246083718 813675778 /nfs/dbraw/zinc/67/57/78/813675778.db2.gz IQOOVYFCIBPIGN-HUBLWGQQSA-N 2 1 250.361 2.487 20 0 CEADMP C[C@@H]1C[NH2+]C[C@@H](CN[C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001246097788 813686624 /nfs/dbraw/zinc/68/66/24/813686624.db2.gz IKRJYLCNRFULKQ-JYJNAYRXSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@H]1C[NH2+]C[C@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001246100082 813690207 /nfs/dbraw/zinc/69/02/07/813690207.db2.gz NPHCWAVVKZPJHC-ZIAGYGMSSA-N 3 1 267.461 2.085 20 0 CEADMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246154433 813713666 /nfs/dbraw/zinc/71/36/66/813713666.db2.gz XNXUHLDWTZGZFQ-RDBSUJKOSA-N 2 1 284.444 2.461 20 0 CEADMP CC1(C)CC[C@H]([NH2+][C@@H]2CCCC[C@@]23C[NH2+]CCO3)C1 ZINC001246161567 813715901 /nfs/dbraw/zinc/71/59/01/813715901.db2.gz SYBHGGQAJFMIDA-SQWLQELKSA-N 2 1 266.429 2.456 20 0 CEADMP CC[C@@H]1C[C@H](NCc2cccc(C[NH2+]C)c2)CC[NH2+]1 ZINC001246325362 813776421 /nfs/dbraw/zinc/77/64/21/813776421.db2.gz QKDCFEFWUKHVCV-HZPDHXFCSA-N 2 1 261.413 2.026 20 0 CEADMP CCC[C@@H](Cc1ccccc1)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246455069 813829135 /nfs/dbraw/zinc/82/91/35/813829135.db2.gz WPTLXMJPFSHNCF-KRWDZBQOSA-N 3 1 277.456 2.316 20 0 CEADMP CCC(C)(C)C1CCC([NH2+]C[C@H]2C[NH2+]CCN2)CC1 ZINC001246492364 813864814 /nfs/dbraw/zinc/86/48/14/813864814.db2.gz WJAMZEMLPXEKOI-YMAMQOFZSA-N 2 1 267.461 2.132 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001246539124 813943220 /nfs/dbraw/zinc/94/32/20/813943220.db2.gz ASIWJGPLMKXOBI-XQQFMLRXSA-N 2 1 294.361 2.283 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@](C)([NH3+])CC1)C2 ZINC001246551591 814010945 /nfs/dbraw/zinc/01/09/45/814010945.db2.gz LHBWDBZGWBIGPO-QKPAOTATSA-N 2 1 265.445 2.205 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@@](C)([NH3+])CC1)C2 ZINC001246551591 814010949 /nfs/dbraw/zinc/01/09/49/814010949.db2.gz LHBWDBZGWBIGPO-QKPAOTATSA-N 3 1 265.445 2.205 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@@](C)([NH3+])CC1)C2 ZINC001246551591 814010953 /nfs/dbraw/zinc/01/09/53/814010953.db2.gz LHBWDBZGWBIGPO-QKPAOTATSA-N 3 1 265.445 2.205 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC001246559364 814042179 /nfs/dbraw/zinc/04/21/79/814042179.db2.gz ACIUTCYNNVUTSQ-ZRUFSTJUSA-N 2 1 268.298 2.207 20 0 CEADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC001246559364 814042188 /nfs/dbraw/zinc/04/21/88/814042188.db2.gz ACIUTCYNNVUTSQ-ZRUFSTJUSA-N 2 1 268.298 2.207 20 0 CEADMP CC[C@@H]1CC([N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246561845 814049315 /nfs/dbraw/zinc/04/93/15/814049315.db2.gz GPUBFWWPWKGFOL-GBJTYRQASA-N 3 1 267.461 2.355 20 0 CEADMP CC[C@@H]1CC([N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)C[C@@H](CC)[NH2+]1 ZINC001246561845 814049323 /nfs/dbraw/zinc/04/93/23/814049323.db2.gz GPUBFWWPWKGFOL-GBJTYRQASA-N 3 1 267.461 2.355 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC001255965725 814063317 /nfs/dbraw/zinc/06/33/17/814063317.db2.gz HMZXZYVEYSHYSG-CQSZACIVSA-N 2 1 255.450 2.133 20 0 CEADMP CCC(=O)NC1CC[NH+]([C@H](C)CC[NH+](CC)CC)CC1 ZINC001255964175 814064005 /nfs/dbraw/zinc/06/40/05/814064005.db2.gz PTPXXJYJJCXSFW-CQSZACIVSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100405965 814107710 /nfs/dbraw/zinc/10/77/10/814107710.db2.gz VMTVNWYQFILECZ-UYSNPLJNSA-N 2 1 295.471 2.142 20 0 CEADMP c1[nH+]c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c2ccccn12 ZINC001144622206 814132509 /nfs/dbraw/zinc/13/25/09/814132509.db2.gz GHXMUEHLPBAFJU-CQSZACIVSA-N 2 1 270.380 2.004 20 0 CEADMP c1[nH+]c(CN2CCC[N@H+]3CCC[C@@H]3C2)c2ccccn12 ZINC001144622206 814132510 /nfs/dbraw/zinc/13/25/10/814132510.db2.gz GHXMUEHLPBAFJU-CQSZACIVSA-N 2 1 270.380 2.004 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@H](C[NH3+])C1)C2 ZINC001246584211 814163978 /nfs/dbraw/zinc/16/39/78/814163978.db2.gz SYWOQLJCNPOLAO-LVQVYYBASA-N 2 1 265.445 2.063 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@H](C[NH3+])C1)C2 ZINC001246584211 814163982 /nfs/dbraw/zinc/16/39/82/814163982.db2.gz SYWOQLJCNPOLAO-LVQVYYBASA-N 2 1 265.445 2.063 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@H](C[NH3+])C1)C2 ZINC001246584211 814163989 /nfs/dbraw/zinc/16/39/89/814163989.db2.gz SYWOQLJCNPOLAO-LVQVYYBASA-N 2 1 265.445 2.063 20 0 CEADMP CCCCCC[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171228171 814193523 /nfs/dbraw/zinc/19/35/23/814193523.db2.gz SNGKLKLJRYWUKT-HNNXBMFYSA-N 2 1 283.460 2.004 20 0 CEADMP c1nc2c(s1)C[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)CC2 ZINC001246607627 814206904 /nfs/dbraw/zinc/20/69/04/814206904.db2.gz GWDFCCDCKTYQEQ-WFASDCNBSA-N 2 1 277.437 2.218 20 0 CEADMP c1nc2c(s1)C[C@@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)CC2 ZINC001246607627 814206906 /nfs/dbraw/zinc/20/69/06/814206906.db2.gz GWDFCCDCKTYQEQ-WFASDCNBSA-N 2 1 277.437 2.218 20 0 CEADMP CC(C)OCC[C@@H](C)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246613409 814214609 /nfs/dbraw/zinc/21/46/09/814214609.db2.gz ZGBACIBCMPGPSZ-CABCVRRESA-N 2 1 254.418 2.408 20 0 CEADMP CCc1nc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)cc(C)[nH+]1 ZINC001160743806 814217564 /nfs/dbraw/zinc/21/75/64/814217564.db2.gz NZJAGPUVCTUQQQ-VHSXEESVSA-N 2 1 288.317 2.300 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246848983 814283474 /nfs/dbraw/zinc/28/34/74/814283474.db2.gz XRQNDRBJQYBUGV-LSDHHAIUSA-N 3 1 265.445 2.255 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246848983 814283482 /nfs/dbraw/zinc/28/34/82/814283482.db2.gz XRQNDRBJQYBUGV-LSDHHAIUSA-N 3 1 265.445 2.255 20 0 CEADMP CC[NH+]1CCC(C(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001146788817 814325078 /nfs/dbraw/zinc/32/50/78/814325078.db2.gz UYSGYKSYKLJVID-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C)[NH+](C)C ZINC001102087914 814359003 /nfs/dbraw/zinc/35/90/03/814359003.db2.gz BGCRHOVFMXFPOW-BZUAXINKSA-N 2 1 297.487 2.057 20 0 CEADMP CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357686 814381963 /nfs/dbraw/zinc/38/19/63/814381963.db2.gz FKFKFDIVMLGDJO-BZUAXINKSA-N 2 1 297.487 2.201 20 0 CEADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102525719 814394611 /nfs/dbraw/zinc/39/46/11/814394611.db2.gz RMEPLSFZBURFHH-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCCCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001102525719 814394621 /nfs/dbraw/zinc/39/46/21/814394621.db2.gz RMEPLSFZBURFHH-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCCCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001102525719 814394631 /nfs/dbraw/zinc/39/46/31/814394631.db2.gz RMEPLSFZBURFHH-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP C[C@H]1C[N@H+](C2CC[NH+](C(C)(C)C)CC2)CCC[C@@H]1O ZINC001256570109 814471084 /nfs/dbraw/zinc/47/10/84/814471084.db2.gz YCYOOQRZMAYPTE-ZFWWWQNUSA-N 2 1 268.445 2.342 20 0 CEADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCC)C1 ZINC001111952417 814634758 /nfs/dbraw/zinc/63/47/58/814634758.db2.gz HJFSGBYEUZTAPI-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCC)C1 ZINC001111952417 814634763 /nfs/dbraw/zinc/63/47/63/814634763.db2.gz HJFSGBYEUZTAPI-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCC)C1 ZINC001111952417 814634766 /nfs/dbraw/zinc/63/47/66/814634766.db2.gz HJFSGBYEUZTAPI-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC1=CCCOC1 ZINC000696911471 814643904 /nfs/dbraw/zinc/64/39/04/814643904.db2.gz WYHIQVGIVWNHMR-VHRNVKJDSA-N 2 1 264.413 2.186 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H](F)C[C@H](CO)C2)CC1 ZINC001173110060 815582768 /nfs/dbraw/zinc/58/27/68/815582768.db2.gz NUIXBEDIZCGQCQ-QRNKSROTSA-N 2 1 286.435 2.292 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](C)[C@H]2CCOC2)CC1 ZINC001173114353 815583942 /nfs/dbraw/zinc/58/39/42/815583942.db2.gz HVIQUDCUQCNIMV-NRXISQOPSA-N 2 1 254.418 2.360 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712448860 814748641 /nfs/dbraw/zinc/74/86/41/814748641.db2.gz DJNKNMPSRRHUBO-KGLIPLIRSA-N 2 1 252.402 2.149 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](C(C)(C)C)CC1 ZINC001116273179 814842736 /nfs/dbraw/zinc/84/27/36/814842736.db2.gz BCLIRFAKYUWVBB-OAHLLOKOSA-N 2 1 267.461 2.277 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000713590073 814865441 /nfs/dbraw/zinc/86/54/41/814865441.db2.gz AEFAVQPYBOLHJZ-QPSCCSFWSA-N 2 1 268.445 2.497 20 0 CEADMP C=C/C=C/CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000713744084 814870789 /nfs/dbraw/zinc/87/07/89/814870789.db2.gz AUTNRVTURJDKQS-OAJJDEHYSA-N 2 1 286.419 2.345 20 0 CEADMP C=C/C=C/CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000713744084 814870792 /nfs/dbraw/zinc/87/07/92/814870792.db2.gz AUTNRVTURJDKQS-OAJJDEHYSA-N 2 1 286.419 2.345 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)O1 ZINC000714321594 814893890 /nfs/dbraw/zinc/89/38/90/814893890.db2.gz VDBYMAATTVMTCK-IJLUTSLNSA-N 2 1 294.361 2.403 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)O1 ZINC000714382127 814899802 /nfs/dbraw/zinc/89/98/02/814899802.db2.gz ZWLBBBZOIGVRIP-MJBXVCDLSA-N 2 1 252.402 2.018 20 0 CEADMP CCc1[nH]c(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)c(C)[nH+]1 ZINC001203254249 815618352 /nfs/dbraw/zinc/61/83/52/815618352.db2.gz NTEVFCAMGGQXPE-ZFWWWQNUSA-N 2 1 294.418 2.289 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CCC([NH3+])(c3cccc(F)c3)CC2)C1 ZINC001173353663 815694279 /nfs/dbraw/zinc/69/42/79/815694279.db2.gz GIJUBBMMBYSDMB-MRXNPFEDSA-N 2 1 291.414 2.170 20 0 CEADMP CC[N@H+]1CC[C@H](N2CCC([NH3+])(c3ccc(F)cc3)CC2)C1 ZINC001173355060 815696144 /nfs/dbraw/zinc/69/61/44/815696144.db2.gz WOUXQBOTVVLNPN-INIZCTEOSA-N 2 1 291.414 2.170 20 0 CEADMP CC[N@H+]1CC[C@H](n2c(-c3ccccc3)cnc2C[NH3+])C1 ZINC001173356536 815698388 /nfs/dbraw/zinc/69/83/88/815698388.db2.gz FJWKNPKYLYKVTJ-AWEZNQCLSA-N 2 1 270.380 2.276 20 0 CEADMP CC[N@H+]1CC[C@@H](N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2)C1 ZINC001173366162 815705829 /nfs/dbraw/zinc/70/58/29/815705829.db2.gz WUMWQWCXNKGTCK-SQNIBIBYSA-N 2 1 285.435 2.039 20 0 CEADMP CC[NH+]1CC[C@@H](N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)C1 ZINC001173366162 815705834 /nfs/dbraw/zinc/70/58/34/815705834.db2.gz WUMWQWCXNKGTCK-SQNIBIBYSA-N 2 1 285.435 2.039 20 0 CEADMP CC[NH+]1CC[C@@H](N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)C1 ZINC001173366162 815705836 /nfs/dbraw/zinc/70/58/36/815705836.db2.gz WUMWQWCXNKGTCK-SQNIBIBYSA-N 2 1 285.435 2.039 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001173451065 815734501 /nfs/dbraw/zinc/73/45/01/815734501.db2.gz DDHHSYZWCLSYLH-KBPBESRZSA-N 2 1 270.417 2.182 20 0 CEADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174906702 816107136 /nfs/dbraw/zinc/10/71/36/816107136.db2.gz WUIIGOPQYPBVRX-JYJNAYRXSA-N 2 1 297.487 2.390 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([NH2+]CCC)CC1 ZINC001202974107 816119694 /nfs/dbraw/zinc/11/96/94/816119694.db2.gz QMVNECWIDUEFBW-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175265201 816165646 /nfs/dbraw/zinc/16/56/46/816165646.db2.gz XVDAVWPYYPBMMN-LSDHHAIUSA-N 2 1 283.460 2.003 20 0 CEADMP Nc1cc[nH+]c(-c2cc(Nc3ccc(C[NH3+])cc3)ccn2)c1 ZINC001175967230 816310045 /nfs/dbraw/zinc/31/00/45/816310045.db2.gz WAVHHULEPNFYJQ-UHFFFAOYSA-N 2 1 291.358 2.350 20 0 CEADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CCCC2CCCC2)C1 ZINC001176071909 816333045 /nfs/dbraw/zinc/33/30/45/816333045.db2.gz KMBVVDGCEQUXDV-INIZCTEOSA-N 2 1 295.471 2.004 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4ncn(C)c4c3)C[C@@H]2C1 ZINC001140742968 816339231 /nfs/dbraw/zinc/33/92/31/816339231.db2.gz RRBUZTSINVZGKM-IYBDPMFKSA-N 2 1 298.434 2.347 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4ncn(C)c4c3)C[C@@H]2C1 ZINC001140742968 816339236 /nfs/dbraw/zinc/33/92/36/816339236.db2.gz RRBUZTSINVZGKM-IYBDPMFKSA-N 2 1 298.434 2.347 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4ncn(C)c4c3)C[C@@H]2C1 ZINC001140742968 816339243 /nfs/dbraw/zinc/33/92/43/816339243.db2.gz RRBUZTSINVZGKM-IYBDPMFKSA-N 2 1 298.434 2.347 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4ncn(C)c4c3)C[C@@H]2C1 ZINC001140742968 816339248 /nfs/dbraw/zinc/33/92/48/816339248.db2.gz RRBUZTSINVZGKM-IYBDPMFKSA-N 2 1 298.434 2.347 20 0 CEADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563611 816441461 /nfs/dbraw/zinc/44/14/61/816441461.db2.gz GFMSJBIVMJRFNM-CVEARBPZSA-N 2 1 297.487 2.249 20 0 CEADMP c1cn2ccc(C[N@H+]3CC[C@H]4OCCC[C@@H]4C3)cc2n1 ZINC001141042388 816456609 /nfs/dbraw/zinc/45/66/09/816456609.db2.gz OXOMTJJVJPCDQP-HUUCEWRRSA-N 2 1 271.364 2.335 20 0 CEADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccn2ccnc2c1 ZINC001141049766 816461025 /nfs/dbraw/zinc/46/10/25/816461025.db2.gz SKRJAISZDSMHKE-UHFFFAOYSA-N 2 1 274.412 2.498 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccn2ccnc2c1 ZINC001141049766 816461029 /nfs/dbraw/zinc/46/10/29/816461029.db2.gz SKRJAISZDSMHKE-UHFFFAOYSA-N 2 1 274.412 2.498 20 0 CEADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176759226 816473350 /nfs/dbraw/zinc/47/33/50/816473350.db2.gz GURJPFWGWSVJLG-OAHLLOKOSA-N 2 1 285.476 2.391 20 0 CEADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](OCC[NH+](C)C)C1 ZINC001206288581 816504649 /nfs/dbraw/zinc/50/46/49/816504649.db2.gz YZCRFGCZNWSDTL-GJZGRUSLSA-N 2 1 277.412 2.185 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1cn2ccccc2n1 ZINC001177195285 816527354 /nfs/dbraw/zinc/52/73/54/816527354.db2.gz NBVBJQIZFUIBON-UHFFFAOYSA-N 2 1 295.390 2.128 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccnc1C ZINC001177912235 816641969 /nfs/dbraw/zinc/64/19/69/816641969.db2.gz NMJCYCGRLGGZPG-UHFFFAOYSA-N 2 1 258.369 2.465 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ncn3ccccc23)CC1 ZINC001206317246 816678452 /nfs/dbraw/zinc/67/84/52/816678452.db2.gz DNGDDPQGPYGGJJ-INIZCTEOSA-N 2 1 272.396 2.285 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(CCO)cc2)CC1 ZINC001206318154 816685954 /nfs/dbraw/zinc/68/59/54/816685954.db2.gz NMESRRZIFPEAFN-KRWDZBQOSA-N 2 1 276.424 2.172 20 0 CEADMP COc1ccoc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206326936 816729872 /nfs/dbraw/zinc/72/98/72/816729872.db2.gz QVMPINPEUGNDQT-AWEZNQCLSA-N 2 1 252.358 2.239 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178483468 816752890 /nfs/dbraw/zinc/75/28/90/816752890.db2.gz BCQDSWAVCAPJBU-CVEARBPZSA-N 2 1 295.471 2.147 20 0 CEADMP [NH3+]C[C@@]1(F)CCCC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206334876 816765528 /nfs/dbraw/zinc/76/55/28/816765528.db2.gz AHTFQOPGWPETSW-XGUBFFRZSA-N 2 1 252.377 2.352 20 0 CEADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206334876 816765531 /nfs/dbraw/zinc/76/55/31/816765531.db2.gz AHTFQOPGWPETSW-XGUBFFRZSA-N 2 1 252.377 2.352 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001178734232 816790252 /nfs/dbraw/zinc/79/02/52/816790252.db2.gz ZQXTULGPLKTSCY-OAHLLOKOSA-N 2 1 283.460 2.147 20 0 CEADMP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001178902192 816813172 /nfs/dbraw/zinc/81/31/72/816813172.db2.gz FDGCEODKCHQCMC-HOCLYGCPSA-N 2 1 293.455 2.016 20 0 CEADMP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001179337490 816856026 /nfs/dbraw/zinc/85/60/26/816856026.db2.gz ONYMPVJSLNSMIJ-VGWMRTNUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580806 816886042 /nfs/dbraw/zinc/88/60/42/816886042.db2.gz QRTLVBYXQODVGS-MRXNPFEDSA-N 2 1 297.487 2.393 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360571752 282084162 /nfs/dbraw/zinc/08/41/62/282084162.db2.gz VVODYUMZSTYYBK-QGZVFWFLSA-N 2 1 282.391 2.124 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360571752 282084163 /nfs/dbraw/zinc/08/41/63/282084163.db2.gz VVODYUMZSTYYBK-QGZVFWFLSA-N 2 1 282.391 2.124 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CCOC)CC1 ZINC000337407384 214060271 /nfs/dbraw/zinc/06/02/71/214060271.db2.gz SZWZDBUHWLSLQT-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000337407369 214060677 /nfs/dbraw/zinc/06/06/77/214060677.db2.gz SZSPHCFWHRGZMX-DZKIICNBSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccco1 ZINC000124480683 187139766 /nfs/dbraw/zinc/13/97/66/187139766.db2.gz HGOJBGIZWZQHMQ-CQSZACIVSA-N 2 1 279.428 2.204 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000127678749 187325247 /nfs/dbraw/zinc/32/52/47/187325247.db2.gz DSTFCLDZWMEXRL-HZPDHXFCSA-N 2 1 274.408 2.454 20 0 CEADMP COCC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000449093475 282098057 /nfs/dbraw/zinc/09/80/57/282098057.db2.gz XMDQVENBGMTRRJ-SSHXOBKSSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1cccc(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000127705898 187327311 /nfs/dbraw/zinc/32/73/11/187327311.db2.gz RSJPSCBRIMBHAV-KRWDZBQOSA-N 2 1 297.402 2.221 20 0 CEADMP Cc1cccc(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)[nH+]1 ZINC000127705898 187327314 /nfs/dbraw/zinc/32/73/14/187327314.db2.gz RSJPSCBRIMBHAV-KRWDZBQOSA-N 2 1 297.402 2.221 20 0 CEADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000567639274 299069670 /nfs/dbraw/zinc/06/96/70/299069670.db2.gz CZLMWOZOAAMWET-BZUAXINKSA-N 3 1 267.461 2.275 20 0 CEADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000567639273 299069957 /nfs/dbraw/zinc/06/99/57/299069957.db2.gz CZLMWOZOAAMWET-ARFHVFGLSA-N 3 1 267.461 2.275 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)CC[N@@H+]1C ZINC000123271248 365636058 /nfs/dbraw/zinc/63/60/58/365636058.db2.gz XDTSHLIYDRXTRD-CZUORRHYSA-N 2 1 299.418 2.443 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)CC[N@H+]1C ZINC000123271248 365636066 /nfs/dbraw/zinc/63/60/66/365636066.db2.gz XDTSHLIYDRXTRD-CZUORRHYSA-N 2 1 299.418 2.443 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3[nH]c2=O)CC[NH+]1C ZINC000123271248 365636072 /nfs/dbraw/zinc/63/60/72/365636072.db2.gz XDTSHLIYDRXTRD-CZUORRHYSA-N 2 1 299.418 2.443 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)CC[NH+]1C ZINC000123271248 365636077 /nfs/dbraw/zinc/63/60/77/365636077.db2.gz XDTSHLIYDRXTRD-CZUORRHYSA-N 2 1 299.418 2.443 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000124213792 365646657 /nfs/dbraw/zinc/64/66/57/365646657.db2.gz WPRYCNKHVHECLD-JKSUJKDBSA-N 2 1 297.487 2.057 20 0 CEADMP CCn1nccc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000125125645 365666680 /nfs/dbraw/zinc/66/66/80/365666680.db2.gz POSNXFKEAJMGAC-AWEZNQCLSA-N 2 1 264.417 2.257 20 0 CEADMP CCn1nccc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000125125645 365666683 /nfs/dbraw/zinc/66/66/83/365666683.db2.gz POSNXFKEAJMGAC-AWEZNQCLSA-N 2 1 264.417 2.257 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000449162461 282126561 /nfs/dbraw/zinc/12/65/61/282126561.db2.gz JFKVDMVKYJFTKC-SGMGOOAPSA-N 2 1 251.374 2.127 20 0 CEADMP C[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000125634650 365681287 /nfs/dbraw/zinc/68/12/87/365681287.db2.gz FFWPROOMXMISST-BZUAXINKSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)C[NH+]1CCCCC1 ZINC000125634650 365681298 /nfs/dbraw/zinc/68/12/98/365681298.db2.gz FFWPROOMXMISST-BZUAXINKSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313054383 282132877 /nfs/dbraw/zinc/13/28/77/282132877.db2.gz RZGBLOANPFFNGL-ZIAGYGMSSA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000449180719 282133336 /nfs/dbraw/zinc/13/33/36/282133336.db2.gz BQFZDFRLQLIONU-HIFRSBDPSA-N 2 1 286.485 2.217 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CCCc1ccc(Cl)cc1)C1CC1 ZINC000567682958 299074366 /nfs/dbraw/zinc/07/43/66/299074366.db2.gz DABJAJQDCJFDIW-MRXNPFEDSA-N 2 1 296.842 2.317 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CCCc1ccc(Cl)cc1)C1CC1 ZINC000567682958 299074370 /nfs/dbraw/zinc/07/43/70/299074370.db2.gz DABJAJQDCJFDIW-MRXNPFEDSA-N 2 1 296.842 2.317 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000337738044 214239987 /nfs/dbraw/zinc/23/99/87/214239987.db2.gz BKJOAIRHTVDASP-MRXNPFEDSA-N 2 1 278.396 2.135 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000037142451 361898818 /nfs/dbraw/zinc/89/88/18/361898818.db2.gz OVINNDJBCOJBFA-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037649280 361916948 /nfs/dbraw/zinc/91/69/48/361916948.db2.gz MACFKCQBYIRMBY-CQSZACIVSA-N 2 1 288.391 2.047 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nc3ccccn32)C1 ZINC000037644457 361917113 /nfs/dbraw/zinc/91/71/13/361917113.db2.gz BMMIALUWYCSWLK-CQSZACIVSA-N 2 1 272.396 2.074 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000125465628 187186333 /nfs/dbraw/zinc/18/63/33/187186333.db2.gz KRJOLPLLFGKPHI-HNNXBMFYSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000125465628 187186334 /nfs/dbraw/zinc/18/63/34/187186334.db2.gz KRJOLPLLFGKPHI-HNNXBMFYSA-N 2 1 277.412 2.473 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000037825962 361951106 /nfs/dbraw/zinc/95/11/06/361951106.db2.gz UCHSSLPGBJJATM-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000037981982 361970492 /nfs/dbraw/zinc/97/04/92/361970492.db2.gz VHPAUFUWHDZRIR-RHSMWYFYSA-N 2 1 276.424 2.356 20 0 CEADMP C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N(C)C ZINC000078713481 539175110 /nfs/dbraw/zinc/17/51/10/539175110.db2.gz BJIYEZKDJWCONY-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+](CCC[NH2+][C@@H]1CCCOC1)Cc1ccccc1 ZINC000070463751 539174552 /nfs/dbraw/zinc/17/45/52/539174552.db2.gz RBNGJUPRFFYCGZ-MRXNPFEDSA-N 2 1 262.397 2.277 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC2(C(C)C)CC2)CC1 ZINC000090230520 539182159 /nfs/dbraw/zinc/18/21/59/539182159.db2.gz UVGCOJKSHIJFEW-UHFFFAOYSA-N 2 1 254.418 2.123 20 0 CEADMP CN1CC(C[N@@H+](C)Cc2nccc3ccccc32)C1 ZINC000668539905 539194137 /nfs/dbraw/zinc/19/41/37/539194137.db2.gz PMRPXBFOZUFLDL-UHFFFAOYSA-N 2 1 255.365 2.228 20 0 CEADMP CN1CC(C[N@@H+](C)CCCCOc2ccccc2)C1 ZINC000668539913 539194154 /nfs/dbraw/zinc/19/41/54/539194154.db2.gz PYCGVSVRLICCQM-UHFFFAOYSA-N 2 1 262.397 2.339 20 0 CEADMP Cc1nn(C)cc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000125937982 365691238 /nfs/dbraw/zinc/69/12/38/365691238.db2.gz UMWQUYSQFYIVAC-CYBMUJFWSA-N 2 1 264.417 2.083 20 0 CEADMP Cc1nn(C)cc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000125937982 365691240 /nfs/dbraw/zinc/69/12/40/365691240.db2.gz UMWQUYSQFYIVAC-CYBMUJFWSA-N 2 1 264.417 2.083 20 0 CEADMP CCCc1[nH+]ccn1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000305335528 539222827 /nfs/dbraw/zinc/22/28/27/539222827.db2.gz RIKBYAVJMMBODS-MRXNPFEDSA-N 2 1 287.407 2.329 20 0 CEADMP CCCc1[nH+]ccn1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000305335528 539222828 /nfs/dbraw/zinc/22/28/28/539222828.db2.gz RIKBYAVJMMBODS-MRXNPFEDSA-N 2 1 287.407 2.329 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@H](C)C1 ZINC000449367783 282202888 /nfs/dbraw/zinc/20/28/88/282202888.db2.gz YTVBFVMESXOJIE-QXSJWSMHSA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)C(C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)C(C)C ZINC000668740239 539255787 /nfs/dbraw/zinc/25/57/87/539255787.db2.gz SBXZFVCVJPREET-INIZCTEOSA-N 2 1 282.472 2.446 20 0 CEADMP COc1ccc(F)c(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000622043614 349775085 /nfs/dbraw/zinc/77/50/85/349775085.db2.gz FRTMUEVJMMBSHM-NHYWBVRUSA-N 2 1 266.360 2.312 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000567752426 299086299 /nfs/dbraw/zinc/08/62/99/299086299.db2.gz KJKQWWRAGMUSAK-LSDHHAIUSA-N 3 1 255.450 2.358 20 0 CEADMP C[C@H](CO)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000309803356 539273161 /nfs/dbraw/zinc/27/31/61/539273161.db2.gz YNYNEGOWCQJUGZ-DOTOQJQBSA-N 2 1 276.424 2.069 20 0 CEADMP C[C@H](CO)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309803356 539273163 /nfs/dbraw/zinc/27/31/63/539273163.db2.gz YNYNEGOWCQJUGZ-DOTOQJQBSA-N 2 1 276.424 2.069 20 0 CEADMP C[C@H](CO)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309803356 539273164 /nfs/dbraw/zinc/27/31/64/539273164.db2.gz YNYNEGOWCQJUGZ-DOTOQJQBSA-N 2 1 276.424 2.069 20 0 CEADMP Cc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)nc1 ZINC000336601500 365703293 /nfs/dbraw/zinc/70/32/93/365703293.db2.gz NRCPIQGMOAMPFD-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC1([NH3+])CCCCCC1 ZINC000417448090 529688615 /nfs/dbraw/zinc/68/86/15/529688615.db2.gz SVSDXOUATXIXJJ-AWEZNQCLSA-N 2 1 298.475 2.068 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336611440 365717516 /nfs/dbraw/zinc/71/75/16/365717516.db2.gz LQFFXXYTRMLQEO-OAHLLOKOSA-N 2 1 274.412 2.014 20 0 CEADMP FC(F)(F)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000043472059 362145742 /nfs/dbraw/zinc/14/57/42/362145742.db2.gz ANPCMTUWTQNWNI-QWRGUYRKSA-N 2 1 250.308 2.260 20 0 CEADMP FC(F)(F)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000043472059 362145745 /nfs/dbraw/zinc/14/57/45/362145745.db2.gz ANPCMTUWTQNWNI-QWRGUYRKSA-N 2 1 250.308 2.260 20 0 CEADMP CCN(C)C(=O)[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC000449440115 282238847 /nfs/dbraw/zinc/23/88/47/282238847.db2.gz KSJHIHYXSMIAMO-HNNXBMFYSA-N 2 1 297.487 2.342 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2scnc2C)[C@@H](C)C1 ZINC000449466549 282248672 /nfs/dbraw/zinc/24/86/72/282248672.db2.gz HFTFSXHMKQDYMT-WCQYABFASA-N 2 1 267.442 2.314 20 0 CEADMP CC[C@](C)(C[NH2+]Cc1c[nH+]ccc1N(C)C)OC ZINC000449479166 282253129 /nfs/dbraw/zinc/25/31/29/282253129.db2.gz USHZPSJOULVSGK-CQSZACIVSA-N 2 1 251.374 2.052 20 0 CEADMP CC[NH+](CC)[C@H]1CCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351180808 219083735 /nfs/dbraw/zinc/08/37/35/219083735.db2.gz HQUYSEBRHZRNEY-HOTGVXAUSA-N 2 1 267.461 2.277 20 0 CEADMP C[C@@H]1CC([NH2+]CCCN2CCC[N@@H+](C)CC2)C[C@@H](C)C1 ZINC000127716308 365759976 /nfs/dbraw/zinc/75/99/76/365759976.db2.gz MHZDRLNAZPBATO-HOTGVXAUSA-N 2 1 281.488 2.428 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000351266846 219088547 /nfs/dbraw/zinc/08/85/47/219088547.db2.gz FSOASJYHRBLNHY-NVXWUHKLSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOCc1ccccc1 ZINC000336706660 365771628 /nfs/dbraw/zinc/77/16/28/365771628.db2.gz IZOKBDLCMJGILJ-HOCLYGCPSA-N 2 1 262.397 2.262 20 0 CEADMP CCCc1noc(C[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000056524333 343617958 /nfs/dbraw/zinc/61/79/58/343617958.db2.gz IDOXEBCDNLCYDO-UHFFFAOYSA-N 2 1 280.416 2.186 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351491324 219105163 /nfs/dbraw/zinc/10/51/63/219105163.db2.gz JNEJZQXYHLLPTD-JYJNAYRXSA-N 2 1 274.408 2.433 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000449606309 282302437 /nfs/dbraw/zinc/30/24/37/282302437.db2.gz YIWFIMKSYICNGI-KGLIPLIRSA-N 2 1 291.439 2.384 20 0 CEADMP COCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965618 343817259 /nfs/dbraw/zinc/81/72/59/343817259.db2.gz OKTVUJOXFKBREZ-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP COCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965618 343817261 /nfs/dbraw/zinc/81/72/61/343817261.db2.gz OKTVUJOXFKBREZ-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP COCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072965618 343817263 /nfs/dbraw/zinc/81/72/63/343817263.db2.gz OKTVUJOXFKBREZ-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP COCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072965618 343817264 /nfs/dbraw/zinc/81/72/64/343817264.db2.gz OKTVUJOXFKBREZ-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CC[N@H+](CCNC(=O)CCn1cc[nH+]c1C(C)C)C(C)C ZINC000073644761 343832068 /nfs/dbraw/zinc/83/20/68/343832068.db2.gz DVOXBKPWALUHRU-UHFFFAOYSA-N 2 1 294.443 2.243 20 0 CEADMP CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1C(C)C)C(C)C ZINC000073644761 343832071 /nfs/dbraw/zinc/83/20/71/343832071.db2.gz DVOXBKPWALUHRU-UHFFFAOYSA-N 2 1 294.443 2.243 20 0 CEADMP CC(C)[N@H+](C)CC1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000077192495 343910147 /nfs/dbraw/zinc/91/01/47/343910147.db2.gz XPDIXPCEIOLTES-UHFFFAOYSA-N 2 1 291.443 2.099 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000077192495 343910150 /nfs/dbraw/zinc/91/01/50/343910150.db2.gz XPDIXPCEIOLTES-UHFFFAOYSA-N 2 1 291.443 2.099 20 0 CEADMP C[C@H]1CCC[N@H+](CCCCNc2cc[nH+]c(N(C)C)n2)C1 ZINC000077190154 343910255 /nfs/dbraw/zinc/91/02/55/343910255.db2.gz OWIHZSWWWGBYQF-AWEZNQCLSA-N 2 1 291.443 2.467 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNc2cc[nH+]c(N(C)C)n2)C1 ZINC000077190154 343910256 /nfs/dbraw/zinc/91/02/56/343910256.db2.gz OWIHZSWWWGBYQF-AWEZNQCLSA-N 2 1 291.443 2.467 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)s1 ZINC000049182967 362345707 /nfs/dbraw/zinc/34/57/07/362345707.db2.gz MPOMKUHVOVGHGL-CHWSQXEVSA-N 2 1 268.426 2.164 20 0 CEADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090728130 344142982 /nfs/dbraw/zinc/14/29/82/344142982.db2.gz GSIRERGMCHDEEW-SUNKGSAMSA-N 2 1 265.401 2.325 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000090773208 344143061 /nfs/dbraw/zinc/14/30/61/344143061.db2.gz ARXXQKARLIQWGC-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000090773208 344143064 /nfs/dbraw/zinc/14/30/64/344143064.db2.gz ARXXQKARLIQWGC-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090773208 344143066 /nfs/dbraw/zinc/14/30/66/344143066.db2.gz ARXXQKARLIQWGC-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP CCc1ccc([C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)C)cc1 ZINC000091334541 344161536 /nfs/dbraw/zinc/16/15/36/344161536.db2.gz NAAOSJHDHCGMIE-IAGOWNOFSA-N 2 1 278.440 2.458 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000449686396 282331444 /nfs/dbraw/zinc/33/14/44/282331444.db2.gz WMJSSHOULMLAHI-CYBMUJFWSA-N 2 1 263.385 2.054 20 0 CEADMP Cc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c(C)c1 ZINC000105477135 344256868 /nfs/dbraw/zinc/25/68/68/344256868.db2.gz NQAMRXNAJWSQGE-UHFFFAOYSA-N 2 1 289.467 2.421 20 0 CEADMP COc1ccc(OC)c(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000131473549 344358019 /nfs/dbraw/zinc/35/80/19/344358019.db2.gz FTKDFROYEGLHJT-AAEUAGOBSA-N 2 1 264.369 2.015 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000131473549 344358025 /nfs/dbraw/zinc/35/80/25/344358025.db2.gz FTKDFROYEGLHJT-AAEUAGOBSA-N 2 1 264.369 2.015 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000226406937 344549582 /nfs/dbraw/zinc/54/95/82/344549582.db2.gz WKSSHPGPKGFYNU-INIZCTEOSA-N 2 1 291.439 2.315 20 0 CEADMP CN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1C[NH2+]C1 ZINC000357060919 529999223 /nfs/dbraw/zinc/99/92/23/529999223.db2.gz YPUZUBLNGKQGNV-UHFFFAOYSA-N 2 1 275.440 2.048 20 0 CEADMP Cc1cc(C)cc(OCCC[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050248066 362412596 /nfs/dbraw/zinc/41/25/96/362412596.db2.gz LDSJNPUMEIYKKJ-OAHLLOKOSA-N 2 1 262.397 2.353 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000246989202 344618972 /nfs/dbraw/zinc/61/89/72/344618972.db2.gz JIBBSXGQCCMXEM-OWYFMNJBSA-N 2 1 267.461 2.178 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000246989202 344618975 /nfs/dbraw/zinc/61/89/75/344618975.db2.gz JIBBSXGQCCMXEM-OWYFMNJBSA-N 3 1 267.461 2.178 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000246989202 344618977 /nfs/dbraw/zinc/61/89/77/344618977.db2.gz JIBBSXGQCCMXEM-OWYFMNJBSA-N 3 1 267.461 2.178 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+](CC(C)C)C1CCCC1 ZINC000310857768 344732237 /nfs/dbraw/zinc/73/22/37/344732237.db2.gz JZWAIPJVRXWQJP-OAHLLOKOSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](CC(C)C)C1CCCC1 ZINC000310857768 344732240 /nfs/dbraw/zinc/73/22/40/344732240.db2.gz JZWAIPJVRXWQJP-OAHLLOKOSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CC(C)C)C1CCCC1 ZINC000310857768 344732242 /nfs/dbraw/zinc/73/22/42/344732242.db2.gz JZWAIPJVRXWQJP-OAHLLOKOSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC(C)C)C1CCCC1 ZINC000310857768 344732245 /nfs/dbraw/zinc/73/22/45/344732245.db2.gz JZWAIPJVRXWQJP-OAHLLOKOSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC(C)C)C1CCCC1 ZINC000310857768 344732246 /nfs/dbraw/zinc/73/22/46/344732246.db2.gz JZWAIPJVRXWQJP-OAHLLOKOSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000311404536 344733609 /nfs/dbraw/zinc/73/36/09/344733609.db2.gz ARSOVQWHTPTFDV-HUUCEWRRSA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000312270355 344737965 /nfs/dbraw/zinc/73/79/65/344737965.db2.gz MLQRPRHOUFKARG-AGIUHOORSA-N 2 1 294.361 2.416 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000312270360 344738010 /nfs/dbraw/zinc/73/80/10/344738010.db2.gz MLQRPRHOUFKARG-JHJVBQTASA-N 2 1 294.361 2.416 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(F)c1 ZINC000299932454 344697497 /nfs/dbraw/zinc/69/74/97/344697497.db2.gz YMGNRYVPBUVVRC-WDEREUQCSA-N 2 1 252.333 2.003 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(F)c1 ZINC000299932454 344697499 /nfs/dbraw/zinc/69/74/99/344697499.db2.gz YMGNRYVPBUVVRC-WDEREUQCSA-N 2 1 252.333 2.003 20 0 CEADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339065371 344767625 /nfs/dbraw/zinc/76/76/25/344767625.db2.gz AMAHETVOLDHZPK-NKGVLGIYSA-N 2 1 298.496 2.283 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000320695105 344752848 /nfs/dbraw/zinc/75/28/48/344752848.db2.gz RBRRSPPYIYCEBX-UPJWGTAASA-N 2 1 270.417 2.037 20 0 CEADMP CCOc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401707061 344869002 /nfs/dbraw/zinc/86/90/02/344869002.db2.gz BMFDBHSZHRLDQU-UHFFFAOYSA-N 2 1 259.353 2.151 20 0 CEADMP Cc1noc([C@@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000351616223 219148656 /nfs/dbraw/zinc/14/86/56/219148656.db2.gz RHBQDRCRIYMCMU-HUUCEWRRSA-N 2 1 292.427 2.432 20 0 CEADMP Cc1noc([C@@H]2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000351616223 219148658 /nfs/dbraw/zinc/14/86/58/219148658.db2.gz RHBQDRCRIYMCMU-HUUCEWRRSA-N 2 1 292.427 2.432 20 0 CEADMP Cc1noc([C@@H]2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000351616223 219148660 /nfs/dbraw/zinc/14/86/60/219148660.db2.gz RHBQDRCRIYMCMU-HUUCEWRRSA-N 2 1 292.427 2.432 20 0 CEADMP Cc1noc([C@@H]2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000351616223 219148664 /nfs/dbraw/zinc/14/86/64/219148664.db2.gz RHBQDRCRIYMCMU-HUUCEWRRSA-N 2 1 292.427 2.432 20 0 CEADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351621627 219149809 /nfs/dbraw/zinc/14/98/09/219149809.db2.gz QMIOAZSQPYUYTR-NEPJUHHUSA-N 2 1 282.350 2.008 20 0 CEADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351621627 219149811 /nfs/dbraw/zinc/14/98/11/219149811.db2.gz QMIOAZSQPYUYTR-NEPJUHHUSA-N 2 1 282.350 2.008 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn[nH]c2)c1 ZINC000591708632 345275220 /nfs/dbraw/zinc/27/52/20/345275220.db2.gz GRZYUXBMJFHSMD-UHFFFAOYSA-N 2 1 258.369 2.151 20 0 CEADMP CCC[C@@](C)([NH2+]CCCC1CC[NH2+]CC1)C(=O)OC ZINC000592495184 345360007 /nfs/dbraw/zinc/36/00/07/345360007.db2.gz ISUYGHBKWIINSO-OAHLLOKOSA-N 2 1 270.417 2.088 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492199 345360071 /nfs/dbraw/zinc/36/00/71/345360071.db2.gz VRRWAXXWBBQJDH-HUUCEWRRSA-N 2 1 282.428 2.040 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592491799 345360181 /nfs/dbraw/zinc/36/01/81/345360181.db2.gz IKLDNWMZGWWEHH-JKSUJKDBSA-N 2 1 296.455 2.431 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000592495551 345360312 /nfs/dbraw/zinc/36/03/12/345360312.db2.gz LTAQWVOEOJMNII-IMJJTQAJSA-N 2 1 294.439 2.040 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000592495551 345360315 /nfs/dbraw/zinc/36/03/15/345360315.db2.gz LTAQWVOEOJMNII-IMJJTQAJSA-N 2 1 294.439 2.040 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000623086184 349933517 /nfs/dbraw/zinc/93/35/17/349933517.db2.gz AQGBMXDIVHLAGK-UHFFFAOYSA-N 2 1 299.296 2.493 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC)[NH+](C)C ZINC000594914470 345700105 /nfs/dbraw/zinc/70/01/05/345700105.db2.gz IPUFYWWWYVKIOL-RZFFKMDDSA-N 2 1 284.444 2.140 20 0 CEADMP Cc1ncsc1CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000172848836 232273789 /nfs/dbraw/zinc/27/37/89/232273789.db2.gz RCQDUQRVCQEZOW-YPMHNXCESA-N 2 1 267.442 2.409 20 0 CEADMP Cc1ncsc1CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000172848836 232273792 /nfs/dbraw/zinc/27/37/92/232273792.db2.gz RCQDUQRVCQEZOW-YPMHNXCESA-N 2 1 267.442 2.409 20 0 CEADMP Cc1ncsc1CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000172848836 232273796 /nfs/dbraw/zinc/27/37/96/232273796.db2.gz RCQDUQRVCQEZOW-YPMHNXCESA-N 2 1 267.442 2.409 20 0 CEADMP Cc1ncsc1CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000172848836 232273798 /nfs/dbraw/zinc/27/37/98/232273798.db2.gz RCQDUQRVCQEZOW-YPMHNXCESA-N 2 1 267.442 2.409 20 0 CEADMP CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cccc2c1CC[NH2+]C2 ZINC000595894715 345908767 /nfs/dbraw/zinc/90/87/67/345908767.db2.gz YSWBSAWTUMMZEN-CYBMUJFWSA-N 2 1 290.407 2.106 20 0 CEADMP CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cccc2c1CC[NH2+]C2 ZINC000595894715 345908770 /nfs/dbraw/zinc/90/87/70/345908770.db2.gz YSWBSAWTUMMZEN-CYBMUJFWSA-N 2 1 290.407 2.106 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CSCCF)C1 ZINC000597130485 346132461 /nfs/dbraw/zinc/13/24/61/346132461.db2.gz RCOGXTIKUOOBMN-OLZOCXBDSA-N 2 1 262.438 2.398 20 0 CEADMP COC(=O)CC1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000599019394 346446742 /nfs/dbraw/zinc/44/67/42/346446742.db2.gz JJLIVFQOLFIFFD-SLTAFYQDSA-N 2 1 294.439 2.182 20 0 CEADMP CC(C)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000336790109 365810599 /nfs/dbraw/zinc/81/05/99/365810599.db2.gz KPEDJVFEGIQDOZ-HNNXBMFYSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000336790109 365810602 /nfs/dbraw/zinc/81/06/02/365810602.db2.gz KPEDJVFEGIQDOZ-HNNXBMFYSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000336790109 365810606 /nfs/dbraw/zinc/81/06/06/365810606.db2.gz KPEDJVFEGIQDOZ-HNNXBMFYSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000336790109 365810610 /nfs/dbraw/zinc/81/06/10/365810610.db2.gz KPEDJVFEGIQDOZ-HNNXBMFYSA-N 2 1 254.418 2.095 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc([S@@](C)=O)cc2)CC1(C)C ZINC000598964978 346438605 /nfs/dbraw/zinc/43/86/05/346438605.db2.gz IWFKXQQOPWEDMQ-JLTOFOAXSA-N 2 1 294.464 2.386 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc([S@@](C)=O)cc2)CC1(C)C ZINC000598964978 346438607 /nfs/dbraw/zinc/43/86/07/346438607.db2.gz IWFKXQQOPWEDMQ-JLTOFOAXSA-N 2 1 294.464 2.386 20 0 CEADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCOC1 ZINC000336791359 365813948 /nfs/dbraw/zinc/81/39/48/365813948.db2.gz NFDVLZXIGPEQIR-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCOC1 ZINC000336791359 365813950 /nfs/dbraw/zinc/81/39/50/365813950.db2.gz NFDVLZXIGPEQIR-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCC2CCOCC2)CC[N@@H+]1C ZINC000336795486 365818174 /nfs/dbraw/zinc/81/81/74/365818174.db2.gz KXJVRIQELUYSRK-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCC2CCOCC2)CC[N@H+]1C ZINC000336795486 365818177 /nfs/dbraw/zinc/81/81/77/365818177.db2.gz KXJVRIQELUYSRK-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCC2CCOCC2)CC[NH+]1C ZINC000336795486 365818182 /nfs/dbraw/zinc/81/81/82/365818182.db2.gz KXJVRIQELUYSRK-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2CCOCC2)CC[NH+]1C ZINC000336795486 365818183 /nfs/dbraw/zinc/81/81/83/365818183.db2.gz KXJVRIQELUYSRK-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCC[NH+]1C ZINC000599312270 346496265 /nfs/dbraw/zinc/49/62/65/346496265.db2.gz FPGDSTGFGRTVMZ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000599312270 346496272 /nfs/dbraw/zinc/49/62/72/346496272.db2.gz FPGDSTGFGRTVMZ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000599312270 346496277 /nfs/dbraw/zinc/49/62/77/346496277.db2.gz FPGDSTGFGRTVMZ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000085674036 179112050 /nfs/dbraw/zinc/11/20/50/179112050.db2.gz PGVWFYHKOYQLLI-XHSDSOJGSA-N 2 1 278.440 2.406 20 0 CEADMP COC(=O)[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]2CCC[C@@H]21 ZINC000599654081 346555858 /nfs/dbraw/zinc/55/58/58/346555858.db2.gz LKJBZMXWVUWKQO-ZJIFWQFVSA-N 2 1 294.439 2.134 20 0 CEADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H]2CCC[C@@H]21 ZINC000599654081 346555861 /nfs/dbraw/zinc/55/58/61/346555861.db2.gz LKJBZMXWVUWKQO-ZJIFWQFVSA-N 2 1 294.439 2.134 20 0 CEADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H]2CCC[C@@H]21 ZINC000599654081 346555863 /nfs/dbraw/zinc/55/58/63/346555863.db2.gz LKJBZMXWVUWKQO-ZJIFWQFVSA-N 2 1 294.439 2.134 20 0 CEADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C)o1 ZINC000600192309 346619972 /nfs/dbraw/zinc/61/99/72/346619972.db2.gz VJCCJHMMCZUUPZ-ZDUSSCGKSA-N 2 1 294.395 2.196 20 0 CEADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)o1 ZINC000600192309 346619974 /nfs/dbraw/zinc/61/99/74/346619974.db2.gz VJCCJHMMCZUUPZ-ZDUSSCGKSA-N 2 1 294.395 2.196 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C)[C@H]1CO ZINC000336800643 365831141 /nfs/dbraw/zinc/83/11/41/365831141.db2.gz MZRDDJUGSYRJLK-DZGCQCFKSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C)[C@H]1CO ZINC000336800643 365831143 /nfs/dbraw/zinc/83/11/43/365831143.db2.gz MZRDDJUGSYRJLK-DZGCQCFKSA-N 2 1 265.401 2.065 20 0 CEADMP CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600143707 346605138 /nfs/dbraw/zinc/60/51/38/346605138.db2.gz FSDSKJHYAJBDBL-UPJWGTAASA-N 2 1 270.417 2.037 20 0 CEADMP COC(=O)C1C[C@@H](C)[NH+](CCCc2c[nH+]cn2C)[C@H](C)C1 ZINC000599690764 346567841 /nfs/dbraw/zinc/56/78/41/346567841.db2.gz LJAOVWTYDBSSMY-CHWSQXEVSA-N 2 1 293.411 2.015 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000336801558 365833087 /nfs/dbraw/zinc/83/30/87/365833087.db2.gz QNBOFGYKYOOOML-JKSUJKDBSA-N 2 1 267.461 2.277 20 0 CEADMP COC(=O)CCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000600708583 346675299 /nfs/dbraw/zinc/67/52/99/346675299.db2.gz DLBIPTXCTXRRHB-CABCVRRESA-N 2 1 282.428 2.041 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(CC)(CC)C(=O)OC)[C@@H](C)C1 ZINC000129363655 365850587 /nfs/dbraw/zinc/85/05/87/365850587.db2.gz ONPNTBNXUIBVFX-KBPBESRZSA-N 2 1 284.444 2.286 20 0 CEADMP CCc1cc(N2CC[NH+](Cc3ccncc3)CC2)cc[nH+]1 ZINC000450221260 282515309 /nfs/dbraw/zinc/51/53/09/282515309.db2.gz QFRNYOTWJSVKSK-UHFFFAOYSA-N 2 1 282.391 2.361 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)C(C)(C)C)CC1 ZINC000603932987 347399629 /nfs/dbraw/zinc/39/96/29/347399629.db2.gz BZSZUJYRFQOJLY-CQSZACIVSA-N 2 1 297.487 2.342 20 0 CEADMP CC(C)n1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)nn1 ZINC000342078942 535061897 /nfs/dbraw/zinc/06/18/97/535061897.db2.gz FQPUQXSUMVSDFK-OAHLLOKOSA-N 2 1 293.459 2.461 20 0 CEADMP CC[NH+](CC)Cc1ccc(-c2nc(C[NH3+])no2)cc1 ZINC000568509136 299140792 /nfs/dbraw/zinc/14/07/92/299140792.db2.gz ALAPNIGIYQQQTF-UHFFFAOYSA-N 2 1 260.341 2.037 20 0 CEADMP Cc1noc(CCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000336835305 365904222 /nfs/dbraw/zinc/90/42/22/365904222.db2.gz ADHAOJUKBAOTHU-OAHLLOKOSA-N 2 1 292.427 2.118 20 0 CEADMP Cc1noc(CCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000336835305 365904225 /nfs/dbraw/zinc/90/42/25/365904225.db2.gz ADHAOJUKBAOTHU-OAHLLOKOSA-N 2 1 292.427 2.118 20 0 CEADMP Cc1noc(C)c1CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336836173 365905057 /nfs/dbraw/zinc/90/50/57/365905057.db2.gz BPINXHYHGUQIKB-MRXNPFEDSA-N 2 1 291.439 2.498 20 0 CEADMP Cc1noc(C)c1CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336836173 365905063 /nfs/dbraw/zinc/90/50/63/365905063.db2.gz BPINXHYHGUQIKB-MRXNPFEDSA-N 2 1 291.439 2.498 20 0 CEADMP Cc1noc(C)c1CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336836173 365905072 /nfs/dbraw/zinc/90/50/72/365905072.db2.gz BPINXHYHGUQIKB-MRXNPFEDSA-N 2 1 291.439 2.498 20 0 CEADMP Cc1noc(C)c1CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336836173 365905075 /nfs/dbraw/zinc/90/50/75/365905075.db2.gz BPINXHYHGUQIKB-MRXNPFEDSA-N 2 1 291.439 2.498 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000336844120 365918113 /nfs/dbraw/zinc/91/81/13/365918113.db2.gz YJZYYCARAICJHS-RNJOBUHISA-N 2 1 292.345 2.313 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000336844119 365918135 /nfs/dbraw/zinc/91/81/35/365918135.db2.gz YJZYYCARAICJHS-NDBYEHHHSA-N 2 1 292.345 2.313 20 0 CEADMP COc1c(C)c[nH+]c(CN2C[C@@H](C)[NH+](C)[C@H](C)C2)c1C ZINC000336884508 365932001 /nfs/dbraw/zinc/93/20/01/365932001.db2.gz BOAXDKNEWOQXRI-CHWSQXEVSA-N 2 1 277.412 2.231 20 0 CEADMP Cc1ncsc1CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334369104 539590450 /nfs/dbraw/zinc/59/04/50/539590450.db2.gz MUDGDYVYAQGIDX-AWEZNQCLSA-N 2 1 265.426 2.070 20 0 CEADMP Cc1ncsc1CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334369105 539590609 /nfs/dbraw/zinc/59/06/09/539590609.db2.gz MUDGDYVYAQGIDX-CQSZACIVSA-N 2 1 265.426 2.070 20 0 CEADMP CC(=O)c1c(C)cc(C)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000613209737 347996999 /nfs/dbraw/zinc/99/69/99/347996999.db2.gz FYXXOGWADQECSX-HOTGVXAUSA-N 2 1 286.419 2.466 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3ccc4c(c3)CCO4)C[C@H]12 ZINC000339407984 215151779 /nfs/dbraw/zinc/15/17/79/215151779.db2.gz TWFKTAJIJGJCAF-YESZJQIVSA-N 2 1 286.419 2.223 20 0 CEADMP CCN(C)c1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cn1 ZINC000339408503 215153252 /nfs/dbraw/zinc/15/32/52/215153252.db2.gz SPIFHRBENXNLNO-OAHLLOKOSA-N 2 1 278.444 2.343 20 0 CEADMP CCN(C)c1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cn1 ZINC000339408503 215153255 /nfs/dbraw/zinc/15/32/55/215153255.db2.gz SPIFHRBENXNLNO-OAHLLOKOSA-N 2 1 278.444 2.343 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339430581 215164623 /nfs/dbraw/zinc/16/46/23/215164623.db2.gz DHCDPGKXSMQQNM-MRXNPFEDSA-N 2 1 282.428 2.138 20 0 CEADMP CCOC(=O)CCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339430581 215164627 /nfs/dbraw/zinc/16/46/27/215164627.db2.gz DHCDPGKXSMQQNM-MRXNPFEDSA-N 2 1 282.428 2.138 20 0 CEADMP CCOC(=O)CCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339430581 215164629 /nfs/dbraw/zinc/16/46/29/215164629.db2.gz DHCDPGKXSMQQNM-MRXNPFEDSA-N 2 1 282.428 2.138 20 0 CEADMP C[NH+](C)C1CC[NH+](CCC(=O)NCC2CCCCC2)CC1 ZINC000066904792 362893207 /nfs/dbraw/zinc/89/32/07/362893207.db2.gz GAGYYZDLKDWCLG-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP COc1c(C)c[nH+]c(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)c1C ZINC000351960698 219266841 /nfs/dbraw/zinc/26/68/41/219266841.db2.gz VWRSORSXQATDTJ-CHWSQXEVSA-N 2 1 277.412 2.231 20 0 CEADMP COc1c(C)c[nH+]c(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1C ZINC000351960698 219266843 /nfs/dbraw/zinc/26/68/43/219266843.db2.gz VWRSORSXQATDTJ-CHWSQXEVSA-N 2 1 277.412 2.231 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH+]3CCCC[C@@H]23)CC1(C)C ZINC000623358450 349998487 /nfs/dbraw/zinc/99/84/87/349998487.db2.gz AWLFKVTUUOWLSQ-KKUMJFAQSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1(C)C ZINC000623358450 349998490 /nfs/dbraw/zinc/99/84/90/349998490.db2.gz AWLFKVTUUOWLSQ-KKUMJFAQSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1(C)C ZINC000623358450 349998492 /nfs/dbraw/zinc/99/84/92/349998492.db2.gz AWLFKVTUUOWLSQ-KKUMJFAQSA-N 2 1 265.445 2.076 20 0 CEADMP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+](CC)CC ZINC000617013422 348613231 /nfs/dbraw/zinc/61/32/31/348613231.db2.gz UCDALPIYLUZDON-KGLIPLIRSA-N 2 1 283.460 2.096 20 0 CEADMP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+](CC)CC ZINC000617013424 348613471 /nfs/dbraw/zinc/61/34/71/348613471.db2.gz UCDALPIYLUZDON-ZIAGYGMSSA-N 2 1 283.460 2.096 20 0 CEADMP CC[C@H]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507581 348718450 /nfs/dbraw/zinc/71/84/50/348718450.db2.gz AXYIIYQDNLLEHF-JYJNAYRXSA-N 2 1 297.487 2.201 20 0 CEADMP CC[C@H]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507581 348718454 /nfs/dbraw/zinc/71/84/54/348718454.db2.gz AXYIIYQDNLLEHF-JYJNAYRXSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414728554 297253201 /nfs/dbraw/zinc/25/32/01/297253201.db2.gz CHEFNLHZUDCKGU-ATLSCFEFSA-N 3 1 287.451 2.049 20 0 CEADMP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1)[NH+](CC)CC ZINC000617928687 348827631 /nfs/dbraw/zinc/82/76/31/348827631.db2.gz UIXAPPBCNSQMKF-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP C[C@H](CNC(=O)CC[N@H+]1CCCC[C@H]1C)C[NH+]1CCCC1 ZINC000339262794 539680935 /nfs/dbraw/zinc/68/09/35/539680935.db2.gz JFTYDCLMGRNUAZ-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)o1 ZINC000357792333 233145504 /nfs/dbraw/zinc/14/55/04/233145504.db2.gz KHQJVDZQGMIREH-UONOGXRCSA-N 2 1 263.385 2.050 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000352011698 219287724 /nfs/dbraw/zinc/28/77/24/219287724.db2.gz CLJSYLPJBSMGLP-HZPDHXFCSA-N 2 1 297.487 2.440 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000619897180 349246366 /nfs/dbraw/zinc/24/63/66/349246366.db2.gz HCRUTPFRPBFQLF-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623487895 350032330 /nfs/dbraw/zinc/03/23/30/350032330.db2.gz YTDOPNDBOGOQMV-AWEZNQCLSA-N 3 1 267.461 2.181 20 0 CEADMP CN1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CC1(C)C ZINC000623487895 350032333 /nfs/dbraw/zinc/03/23/33/350032333.db2.gz YTDOPNDBOGOQMV-AWEZNQCLSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000623425378 350016747 /nfs/dbraw/zinc/01/67/47/350016747.db2.gz ZVRGEVPKFXXYBG-IYBDPMFKSA-N 2 1 291.439 2.369 20 0 CEADMP CC[C@H](C[C@@H](C)CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623436970 350020526 /nfs/dbraw/zinc/02/05/26/350020526.db2.gz LTLGDDYTBIZSHM-MGPQQGTHSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623440800 350021376 /nfs/dbraw/zinc/02/13/76/350021376.db2.gz LISZJIMITDDCHK-HIFRSBDPSA-N 2 1 261.413 2.475 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1(C)C ZINC000623443245 350022393 /nfs/dbraw/zinc/02/23/93/350022393.db2.gz WEMOTBMBIZZYHB-YNEHKIRRSA-N 2 1 254.418 2.262 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[nH]n1 ZINC000623453345 350024970 /nfs/dbraw/zinc/02/49/70/350024970.db2.gz KRPCROMJOJVVKF-AAEUAGOBSA-N 2 1 264.417 2.112 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)n[nH]1 ZINC000623453345 350024971 /nfs/dbraw/zinc/02/49/71/350024971.db2.gz KRPCROMJOJVVKF-AAEUAGOBSA-N 2 1 264.417 2.112 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)n[nH]1 ZINC000623453345 350024974 /nfs/dbraw/zinc/02/49/74/350024974.db2.gz KRPCROMJOJVVKF-AAEUAGOBSA-N 2 1 264.417 2.112 20 0 CEADMP COc1ccc(CNC[C@@H]2CCCC[N@@H+](C)C2)cc1O ZINC000623654966 350074811 /nfs/dbraw/zinc/07/48/11/350074811.db2.gz LGJFUUZIMSKQAT-AWEZNQCLSA-N 2 1 278.396 2.222 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1O ZINC000623654966 350074814 /nfs/dbraw/zinc/07/48/14/350074814.db2.gz LGJFUUZIMSKQAT-AWEZNQCLSA-N 2 1 278.396 2.222 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1O ZINC000623654966 350074817 /nfs/dbraw/zinc/07/48/17/350074817.db2.gz LGJFUUZIMSKQAT-AWEZNQCLSA-N 2 1 278.396 2.222 20 0 CEADMP CN(C)c1ncc(CNC[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000623656331 350075770 /nfs/dbraw/zinc/07/57/70/350075770.db2.gz SBCSINTZVXLHRK-LBPRGKRZSA-N 2 1 282.457 2.031 20 0 CEADMP CN(C)c1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)s1 ZINC000623656331 350075773 /nfs/dbraw/zinc/07/57/73/350075773.db2.gz SBCSINTZVXLHRK-LBPRGKRZSA-N 2 1 282.457 2.031 20 0 CEADMP CN(C)c1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000623656331 350075775 /nfs/dbraw/zinc/07/57/75/350075775.db2.gz SBCSINTZVXLHRK-LBPRGKRZSA-N 2 1 282.457 2.031 20 0 CEADMP C[N@H+]1CC[C@@H](NC[C@H]2CCCC[NH+](C)C2)CC1(C)C ZINC000623657533 350076726 /nfs/dbraw/zinc/07/67/26/350076726.db2.gz TUEBRHQCVWEPLS-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@H]2CCCC[N@H+](C)C2)CC1(C)C ZINC000623657533 350076729 /nfs/dbraw/zinc/07/67/29/350076729.db2.gz TUEBRHQCVWEPLS-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@H]2CCCC[N@@H+](C)C2)CC1(C)C ZINC000623657533 350076731 /nfs/dbraw/zinc/07/67/31/350076731.db2.gz TUEBRHQCVWEPLS-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)CC1(C)C ZINC000623657533 350076735 /nfs/dbraw/zinc/07/67/35/350076735.db2.gz TUEBRHQCVWEPLS-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)CC1(C)C ZINC000623657533 350076736 /nfs/dbraw/zinc/07/67/36/350076736.db2.gz TUEBRHQCVWEPLS-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CC1(C)C ZINC000623657533 350076739 /nfs/dbraw/zinc/07/67/39/350076739.db2.gz TUEBRHQCVWEPLS-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1(C)C ZINC000623657533 350076741 /nfs/dbraw/zinc/07/67/41/350076741.db2.gz TUEBRHQCVWEPLS-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP CCO[C@@H]1C[C@@](CO)([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1(C)C ZINC000623502469 350036366 /nfs/dbraw/zinc/03/63/66/350036366.db2.gz KVCCDRXYZJVPSH-VBQJREDUSA-N 2 1 298.471 2.015 20 0 CEADMP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623532444 350043457 /nfs/dbraw/zinc/04/34/57/350043457.db2.gz RUTDLVYYUBLYON-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP Cc1cccnc1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623539548 350044881 /nfs/dbraw/zinc/04/48/81/350044881.db2.gz UAKHWRLCIPBTCP-AWEZNQCLSA-N 2 1 261.413 2.395 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2ccccc2[C@@H]1CO ZINC000271215416 191006595 /nfs/dbraw/zinc/00/65/95/191006595.db2.gz IMVJALCOYQSXDW-WBVHZDCISA-N 2 1 274.408 2.062 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2ccccc2[C@@H]1CO ZINC000271215416 191006598 /nfs/dbraw/zinc/00/65/98/191006598.db2.gz IMVJALCOYQSXDW-WBVHZDCISA-N 2 1 274.408 2.062 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000271215416 191006599 /nfs/dbraw/zinc/00/65/99/191006599.db2.gz IMVJALCOYQSXDW-WBVHZDCISA-N 2 1 274.408 2.062 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000271215416 191006602 /nfs/dbraw/zinc/00/66/02/191006602.db2.gz IMVJALCOYQSXDW-WBVHZDCISA-N 2 1 274.408 2.062 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)CC1(C)C ZINC000623745507 350099853 /nfs/dbraw/zinc/09/98/53/350099853.db2.gz YWKLIPKMBRSUFM-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000151141005 539766435 /nfs/dbraw/zinc/76/64/35/539766435.db2.gz CBDKYHIPVGVWMK-LSDHHAIUSA-N 3 1 267.461 2.038 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624123082 350199828 /nfs/dbraw/zinc/19/98/28/350199828.db2.gz FQGNEPDQDFZZIU-GXTWGEPZSA-N 2 1 262.401 2.168 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123082 350199829 /nfs/dbraw/zinc/19/98/29/350199829.db2.gz FQGNEPDQDFZZIU-GXTWGEPZSA-N 2 1 262.401 2.168 20 0 CEADMP C[N@@H+](C[C@@H]1COc2ccccc2O1)C1CCC([NH3+])CC1 ZINC000091847045 180270584 /nfs/dbraw/zinc/27/05/84/180270584.db2.gz YANJUWQLKZLSGV-JXQTWKCFSA-N 2 1 276.380 2.028 20 0 CEADMP C[N@@H+](CCC(=O)Nc1cccc(F)c1)C1CCC([NH3+])CC1 ZINC000091847171 180270617 /nfs/dbraw/zinc/27/06/17/180270617.db2.gz NSCSBQQRVZEMBW-UHFFFAOYSA-N 2 1 293.386 2.356 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000091996037 180301973 /nfs/dbraw/zinc/30/19/73/180301973.db2.gz WSMPQRNVVQTZTB-KGLIPLIRSA-N 2 1 275.396 2.060 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000107371361 186172977 /nfs/dbraw/zinc/17/29/77/186172977.db2.gz YKJWCWQFYLEPOI-SFHVURJKSA-N 2 1 287.451 2.207 20 0 CEADMP c1ccc2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000107574292 186179336 /nfs/dbraw/zinc/17/93/36/186179336.db2.gz BDAQQSXDVSUWGK-CALCHBBNSA-N 2 1 252.361 2.491 20 0 CEADMP CC[C@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CC[C@@H]1[NH3+] ZINC000147500772 539800948 /nfs/dbraw/zinc/80/09/48/539800948.db2.gz QUQMQYLNCWARSO-KBPBESRZSA-N 2 1 277.412 2.266 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777128 350566910 /nfs/dbraw/zinc/56/69/10/350566910.db2.gz ZZASKZBMKDNGLI-MCIONIFRSA-N 2 1 254.443 2.441 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000110442791 186296245 /nfs/dbraw/zinc/29/62/45/186296245.db2.gz HSAFQTMVZHERGL-ZDUSSCGKSA-N 2 1 266.360 2.136 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000110758057 186321061 /nfs/dbraw/zinc/32/10/61/186321061.db2.gz BHOQVKFKPMIJPA-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000626164010 350675506 /nfs/dbraw/zinc/67/55/06/350675506.db2.gz UYXUYDXTLUQUSG-DOOVEFGSSA-N 2 1 268.445 2.366 20 0 CEADMP C/C=C/C[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000626164010 350675508 /nfs/dbraw/zinc/67/55/08/350675508.db2.gz UYXUYDXTLUQUSG-DOOVEFGSSA-N 2 1 268.445 2.366 20 0 CEADMP C/C=C/C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000626164010 350675510 /nfs/dbraw/zinc/67/55/10/350675510.db2.gz UYXUYDXTLUQUSG-DOOVEFGSSA-N 2 1 268.445 2.366 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@]1(C)CCCS1)CCO2 ZINC000628322589 351062775 /nfs/dbraw/zinc/06/27/75/351062775.db2.gz BZQYESRVWICBQX-AWEZNQCLSA-N 2 1 284.469 2.069 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CC1(C)COC1 ZINC000628423602 351096966 /nfs/dbraw/zinc/09/69/66/351096966.db2.gz AYPFJLYSZFDENN-UHFFFAOYSA-N 2 1 286.379 2.044 20 0 CEADMP CC(C)OC1CC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000628425228 351098199 /nfs/dbraw/zinc/09/81/99/351098199.db2.gz FAWPJZKHYQPJRH-NFOMZHRRSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)[NH+]1CCCCCC1 ZINC000628753365 351183693 /nfs/dbraw/zinc/18/36/93/351183693.db2.gz XRAKAYLRLQFCEY-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC000629543317 351405309 /nfs/dbraw/zinc/40/53/09/351405309.db2.gz YLZKFEOBHWOFOV-SNPRPXQTSA-N 2 1 274.408 2.283 20 0 CEADMP CCc1nc2c(s1)[C@@H]([NH2+]CC1([NH3+])CCOCC1)CCC2 ZINC000629521676 351387341 /nfs/dbraw/zinc/38/73/41/351387341.db2.gz QYGKGENNRQFCSO-NSHDSACASA-N 2 1 295.452 2.180 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000629406003 351353800 /nfs/dbraw/zinc/35/38/00/351353800.db2.gz HCQZVAFLLQSLDR-NXNVCVFFSA-N 2 1 273.424 2.162 20 0 CEADMP COc1cc(C)c(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000070141783 363035735 /nfs/dbraw/zinc/03/57/35/363035735.db2.gz HYWZAFJFBNJXAJ-CYBMUJFWSA-N 2 1 278.396 2.183 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629651430 351449236 /nfs/dbraw/zinc/44/92/36/351449236.db2.gz GEYZEYZMHZCEHP-AWEZNQCLSA-N 2 1 272.392 2.394 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629651430 351449240 /nfs/dbraw/zinc/44/92/40/351449240.db2.gz GEYZEYZMHZCEHP-AWEZNQCLSA-N 2 1 272.392 2.394 20 0 CEADMP C[C@H]1C[N@H+](CC2=Cc3ccccc3OC2)CC[C@H]1[NH3+] ZINC000629652061 351449598 /nfs/dbraw/zinc/44/95/98/351449598.db2.gz USDWUBMQGYMNGP-SWLSCSKDSA-N 2 1 258.365 2.132 20 0 CEADMP C[C@H]1C[N@@H+](CC2=Cc3ccccc3OC2)CC[C@H]1[NH3+] ZINC000629652061 351449603 /nfs/dbraw/zinc/44/96/03/351449603.db2.gz USDWUBMQGYMNGP-SWLSCSKDSA-N 2 1 258.365 2.132 20 0 CEADMP CC[C@@H](C[N@@H+](C)CCOCC[NH2+]C)c1ccccc1 ZINC000629653764 351450685 /nfs/dbraw/zinc/45/06/85/351450685.db2.gz NDQGNFMEORLAEW-HNNXBMFYSA-N 2 1 264.413 2.348 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)CC[NH2+]1 ZINC000629652981 351450778 /nfs/dbraw/zinc/45/07/78/351450778.db2.gz CYHRYLSKRRJIRH-RQJABVFESA-N 2 1 254.443 2.344 20 0 CEADMP C1=C(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)COCC1 ZINC000629653447 351451073 /nfs/dbraw/zinc/45/10/73/351451073.db2.gz IYIANMRCIMBVNZ-CVEARBPZSA-N 2 1 264.413 2.045 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(C(C)(C)C)s1 ZINC000629665508 351456833 /nfs/dbraw/zinc/45/68/33/351456833.db2.gz VWPULRJAGCSUTK-UHFFFAOYSA-N 2 1 270.442 2.453 20 0 CEADMP C[C@@H](CC[N@@H+](C)CCOCC[NH3+])c1ccccc1 ZINC000629664990 351456947 /nfs/dbraw/zinc/45/69/47/351456947.db2.gz MJKDCPBLJJEGOU-AWEZNQCLSA-N 2 1 250.386 2.087 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(C(F)(F)F)s1 ZINC000629665830 351457800 /nfs/dbraw/zinc/45/78/00/351457800.db2.gz PYWNUDLFKZIEKI-UHFFFAOYSA-N 2 1 282.331 2.174 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCOc3cc(F)ccc3C2)CC[NH2+]1 ZINC000629673833 351461205 /nfs/dbraw/zinc/46/12/05/351461205.db2.gz JPMZKCCDVBXXLL-QWHCGFSZSA-N 2 1 278.371 2.408 20 0 CEADMP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000629553381 351410894 /nfs/dbraw/zinc/41/08/94/351410894.db2.gz YMPAMINFHBOAID-RRFJBIMHSA-N 2 1 259.397 2.368 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CCCO2)CC[C@H]1C(F)(F)F ZINC000629564581 351416305 /nfs/dbraw/zinc/41/63/05/351416305.db2.gz STMLRVWUNJRPOE-IJLUTSLNSA-N 2 1 280.334 2.015 20 0 CEADMP CCN(C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])C1CCCCC1 ZINC000070150009 363038222 /nfs/dbraw/zinc/03/82/22/363038222.db2.gz OXKSDZQXFGBPRX-OAHLLOKOSA-N 2 1 295.471 2.371 20 0 CEADMP CCN(C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])C1CCCCC1 ZINC000070150009 363038227 /nfs/dbraw/zinc/03/82/27/363038227.db2.gz OXKSDZQXFGBPRX-OAHLLOKOSA-N 2 1 295.471 2.371 20 0 CEADMP COc1ccc(CC[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070174236 363047293 /nfs/dbraw/zinc/04/72/93/363047293.db2.gz CRJCJIYDUMDZRX-UKRRQHHQSA-N 2 1 262.397 2.297 20 0 CEADMP COc1ccc(CC[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000070174235 363047474 /nfs/dbraw/zinc/04/74/74/363047474.db2.gz CRJCJIYDUMDZRX-DZGCQCFKSA-N 2 1 262.397 2.297 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070174517 363048414 /nfs/dbraw/zinc/04/84/14/363048414.db2.gz YHHSZRUITHUKMJ-CABCVRRESA-N 2 1 262.397 2.433 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C[NH+](C)C2CCC2)C1 ZINC000629948571 351548012 /nfs/dbraw/zinc/54/80/12/351548012.db2.gz FSZWYGPCSADQDJ-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCC[NH+](CCCCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC000629948571 351548016 /nfs/dbraw/zinc/54/80/16/351548016.db2.gz FSZWYGPCSADQDJ-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCC[NH+](CCCCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC000629948571 351548019 /nfs/dbraw/zinc/54/80/19/351548019.db2.gz FSZWYGPCSADQDJ-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP [NH3+]CCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000070188147 363050953 /nfs/dbraw/zinc/05/09/53/363050953.db2.gz MDXNOAGTABUSMN-UHFFFAOYSA-N 2 1 286.379 2.297 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000629951200 351550508 /nfs/dbraw/zinc/55/05/08/351550508.db2.gz BDPDGMSEDAKXSW-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000629951200 351550516 /nfs/dbraw/zinc/55/05/16/351550516.db2.gz BDPDGMSEDAKXSW-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629951200 351550524 /nfs/dbraw/zinc/55/05/24/351550524.db2.gz BDPDGMSEDAKXSW-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1ccc(NC(=O)C[N@@H+](C)C2CCC2)c(C[NH+](C)C)c1 ZINC000629961881 351556343 /nfs/dbraw/zinc/55/63/43/351556343.db2.gz PHWBBCNLQCJCGB-UHFFFAOYSA-N 2 1 289.423 2.479 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000151977151 539822880 /nfs/dbraw/zinc/82/28/80/539822880.db2.gz WSSPECWCBTUVMM-OAGGEKHMSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000151977151 539822883 /nfs/dbraw/zinc/82/28/83/539822883.db2.gz WSSPECWCBTUVMM-OAGGEKHMSA-N 3 1 281.488 2.427 20 0 CEADMP COc1ccc(CC[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070534431 363093552 /nfs/dbraw/zinc/09/35/52/363093552.db2.gz VMHQAOLORKQRBX-HNNXBMFYSA-N 2 1 262.397 2.299 20 0 CEADMP CCc1cc(OC)ccc1C[NH2+]CCC[NH+]1CCC1 ZINC000569118511 299182088 /nfs/dbraw/zinc/18/20/88/299182088.db2.gz RGEBKDGOUJFRKW-UHFFFAOYSA-N 2 1 262.397 2.443 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000070543540 363095027 /nfs/dbraw/zinc/09/50/27/363095027.db2.gz GSUKUVALFBSUKP-ZDUSSCGKSA-N 2 1 278.396 2.265 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631049314 351937440 /nfs/dbraw/zinc/93/74/40/351937440.db2.gz JFBZBKTYQHXUAM-AWEZNQCLSA-N 2 1 290.455 2.120 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631049314 351937445 /nfs/dbraw/zinc/93/74/45/351937445.db2.gz JFBZBKTYQHXUAM-AWEZNQCLSA-N 2 1 290.455 2.120 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(NC(C)=O)c2)C1 ZINC000631055869 351941571 /nfs/dbraw/zinc/94/15/71/351941571.db2.gz AKIPKFQHCRLEPA-MRXNPFEDSA-N 2 1 289.423 2.467 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(NC(C)=O)c2)C1 ZINC000631055869 351941573 /nfs/dbraw/zinc/94/15/73/351941573.db2.gz AKIPKFQHCRLEPA-MRXNPFEDSA-N 2 1 289.423 2.467 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](O)C(F)(F)F ZINC000631232075 352028136 /nfs/dbraw/zinc/02/81/36/352028136.db2.gz NNHRJHBSEYUDIX-WOPDTQHZSA-N 2 1 296.377 2.397 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](O)c1cccc(F)c1 ZINC000271542984 191203434 /nfs/dbraw/zinc/20/34/34/191203434.db2.gz UQEMWUVZPNDDNJ-KOZAUXTDSA-N 2 1 280.387 2.320 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](O)c1cccc(F)c1 ZINC000271542984 191203435 /nfs/dbraw/zinc/20/34/35/191203435.db2.gz UQEMWUVZPNDDNJ-KOZAUXTDSA-N 2 1 280.387 2.320 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000494251344 290964075 /nfs/dbraw/zinc/96/40/75/290964075.db2.gz PMZRCUPHROOKTL-JSGCOSHPSA-N 2 1 251.374 2.129 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC12CCOCC2 ZINC000669698358 539949002 /nfs/dbraw/zinc/94/90/02/539949002.db2.gz DSHJXJXMJXELLL-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCN(c3ccccc3)C2)CC1 ZINC000678932046 539950726 /nfs/dbraw/zinc/95/07/26/539950726.db2.gz VZNFBEZZRSPKOE-INIZCTEOSA-N 2 1 271.408 2.117 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCN2CCc3ccccc32)CC[N@@H+]1C ZINC000292342184 198251748 /nfs/dbraw/zinc/25/17/48/198251748.db2.gz CZTJWKOSWHRZOS-RDJZCZTQSA-N 2 1 287.451 2.464 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCN2CCc3ccccc32)CC[N@H+]1C ZINC000292342184 198251749 /nfs/dbraw/zinc/25/17/49/198251749.db2.gz CZTJWKOSWHRZOS-RDJZCZTQSA-N 2 1 287.451 2.464 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCN2CCc3ccccc32)CC[NH+]1C ZINC000292342184 198251751 /nfs/dbraw/zinc/25/17/51/198251751.db2.gz CZTJWKOSWHRZOS-RDJZCZTQSA-N 2 1 287.451 2.464 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCN2CCc3ccccc32)CC[NH+]1C ZINC000292342184 198251753 /nfs/dbraw/zinc/25/17/53/198251753.db2.gz CZTJWKOSWHRZOS-RDJZCZTQSA-N 2 1 287.451 2.464 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccc(OC)cc2OC)CC[C@H]1[NH3+] ZINC000251554175 539977667 /nfs/dbraw/zinc/97/76/67/539977667.db2.gz BFZMGMNFIOSEBI-IUODEOHRSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2OC)CC[C@H]1[NH3+] ZINC000251554175 539977669 /nfs/dbraw/zinc/97/76/69/539977669.db2.gz BFZMGMNFIOSEBI-IUODEOHRSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@H]1CC[N@@H+](CCOCc2ccccc2)C[C@H]1C[NH3+] ZINC000309854608 539978421 /nfs/dbraw/zinc/97/84/21/539978421.db2.gz BTKUIOXWRZFKMM-GOEBONIOSA-N 2 1 262.397 2.120 20 0 CEADMP CC[C@H]1C[N@@H+](CCCOCC(F)(F)F)CC[C@H]1[NH3+] ZINC000251569069 539978518 /nfs/dbraw/zinc/97/85/18/539978518.db2.gz BUWYXOQBGWEDQP-WDEREUQCSA-N 2 1 268.323 2.015 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@H](O)c2ccsc2)CC1 ZINC000154588139 188152024 /nfs/dbraw/zinc/15/20/24/188152024.db2.gz DQCDXYOVKICWBS-AWEZNQCLSA-N 2 1 268.426 2.244 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000155421704 188205588 /nfs/dbraw/zinc/20/55/88/188205588.db2.gz SNYDDPSVJRLJQM-DOMZBBRYSA-N 2 1 275.396 2.217 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000155421704 188205589 /nfs/dbraw/zinc/20/55/89/188205589.db2.gz SNYDDPSVJRLJQM-DOMZBBRYSA-N 2 1 275.396 2.217 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(NC(C)=O)cc2)CC[C@H]1[NH3+] ZINC000251798711 539991651 /nfs/dbraw/zinc/99/16/51/539991651.db2.gz NZAIILUZQAPSIL-GOEBONIOSA-N 2 1 275.396 2.204 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCCO)CC[N@@H+]1Cc1ccccc1 ZINC000156923821 188288732 /nfs/dbraw/zinc/28/87/32/188288732.db2.gz ATWFBYMTOQEELI-RDJZCZTQSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCCO)CC[N@H+]1Cc1ccccc1 ZINC000156923821 188288733 /nfs/dbraw/zinc/28/87/33/188288733.db2.gz ATWFBYMTOQEELI-RDJZCZTQSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCCO)CC[NH+]1Cc1ccccc1 ZINC000156923821 188288734 /nfs/dbraw/zinc/28/87/34/188288734.db2.gz ATWFBYMTOQEELI-RDJZCZTQSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCCO)CC[NH+]1Cc1ccccc1 ZINC000156923821 188288735 /nfs/dbraw/zinc/28/87/35/188288735.db2.gz ATWFBYMTOQEELI-RDJZCZTQSA-N 2 1 276.424 2.354 20 0 CEADMP CC(C)[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000292540792 198325932 /nfs/dbraw/zinc/32/59/32/198325932.db2.gz GLVAQYXHKDJZTC-ROUUACIJSA-N 2 1 290.451 2.457 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(F)c2)[C@H](C)C1 ZINC000157620617 188328641 /nfs/dbraw/zinc/32/86/41/188328641.db2.gz CGASZYKHRCQOGP-KCXAZCMYSA-N 2 1 280.387 2.179 20 0 CEADMP C[N@@H+](CCCOCC(F)(F)F)CCC[NH+]1CCCC1 ZINC000337278566 366121685 /nfs/dbraw/zinc/12/16/85/366121685.db2.gz SVYFBTNRNUGOII-UHFFFAOYSA-N 2 1 282.350 2.373 20 0 CEADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000337310584 366138837 /nfs/dbraw/zinc/13/88/37/366138837.db2.gz WCQMCGIAWXLFMR-RHSMWYFYSA-N 2 1 292.423 2.142 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(C)C ZINC000337345639 366142827 /nfs/dbraw/zinc/14/28/27/366142827.db2.gz LKQDCUKCLPHNBU-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(C)C ZINC000337345639 366142831 /nfs/dbraw/zinc/14/28/31/366142831.db2.gz LKQDCUKCLPHNBU-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(C)C ZINC000337345639 366142835 /nfs/dbraw/zinc/14/28/35/366142835.db2.gz LKQDCUKCLPHNBU-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1C ZINC000451579392 283040115 /nfs/dbraw/zinc/04/01/15/283040115.db2.gz YOTGDWIJXMUVPF-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000356279843 283056975 /nfs/dbraw/zinc/05/69/75/283056975.db2.gz JVXNGJCQLKSEPX-WMLDXEAASA-N 2 1 291.439 2.136 20 0 CEADMP CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000075022943 363435125 /nfs/dbraw/zinc/43/51/25/363435125.db2.gz UGQZPRBMMJPJJT-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP COc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257728838 540103110 /nfs/dbraw/zinc/10/31/10/540103110.db2.gz WTQHPGAXWNFPDT-MRXNPFEDSA-N 2 1 260.381 2.271 20 0 CEADMP COc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257728838 540103114 /nfs/dbraw/zinc/10/31/14/540103114.db2.gz WTQHPGAXWNFPDT-MRXNPFEDSA-N 2 1 260.381 2.271 20 0 CEADMP COC(C)(C)C[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000404227481 540120475 /nfs/dbraw/zinc/12/04/75/540120475.db2.gz RKZUHJPANHYGCQ-UHFFFAOYSA-N 2 1 262.397 2.189 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)ccc21 ZINC000271817321 191345321 /nfs/dbraw/zinc/34/53/21/191345321.db2.gz MWKKVOHZQHPFNR-NVXWUHKLSA-N 2 1 298.434 2.489 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)ccc21 ZINC000271817321 191345324 /nfs/dbraw/zinc/34/53/24/191345324.db2.gz MWKKVOHZQHPFNR-NVXWUHKLSA-N 2 1 298.434 2.489 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)ccc21 ZINC000271817321 191345327 /nfs/dbraw/zinc/34/53/27/191345327.db2.gz MWKKVOHZQHPFNR-NVXWUHKLSA-N 2 1 298.434 2.489 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2cccnc21 ZINC000401760917 540130190 /nfs/dbraw/zinc/13/01/90/540130190.db2.gz HXBHDESTGLUDMB-CQSZACIVSA-N 2 1 256.353 2.025 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C2CCSCC2)[C@H]2CCC[C@@H]21 ZINC000367625167 283133194 /nfs/dbraw/zinc/13/31/94/283133194.db2.gz XBYVZRVPTNNPSA-RDBSUJKOSA-N 2 1 254.443 2.344 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)[C@H]2CCC[C@H]21 ZINC000353671643 283141628 /nfs/dbraw/zinc/14/16/28/283141628.db2.gz LHBDXSSFCOCYFV-UUAJXVIYSA-N 2 1 278.440 2.406 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)[C@H]2CCC[C@@H]21 ZINC000353669174 283142484 /nfs/dbraw/zinc/14/24/84/283142484.db2.gz BYWZTSUDLPJZRZ-RDGWLKQMSA-N 2 1 264.413 2.016 20 0 CEADMP C[C@@H]1C[C@H](CC[NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000273598951 192223382 /nfs/dbraw/zinc/22/33/82/192223382.db2.gz LMDDNQLHKKCPRL-ZIAGYGMSSA-N 2 1 277.412 2.442 20 0 CEADMP CCSCC[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000273687156 192262249 /nfs/dbraw/zinc/26/22/49/192262249.db2.gz HURQRJOXPNIMEP-UHFFFAOYSA-N 2 1 276.409 2.418 20 0 CEADMP CCN(CCC[NH3+])C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414705694 540245190 /nfs/dbraw/zinc/24/51/90/540245190.db2.gz LUYFVFJWFMGXBS-KRWDZBQOSA-N 2 1 275.440 2.179 20 0 CEADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000338298151 366280516 /nfs/dbraw/zinc/28/05/16/366280516.db2.gz TWQYNRORMLBIBQ-RDBSUJKOSA-N 2 1 270.417 2.038 20 0 CEADMP CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338310782 366288296 /nfs/dbraw/zinc/28/82/96/366288296.db2.gz BTXXMPVAPYAQOR-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338310782 366288300 /nfs/dbraw/zinc/28/83/00/366288300.db2.gz BTXXMPVAPYAQOR-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000353492199 283187616 /nfs/dbraw/zinc/18/76/16/283187616.db2.gz UBIFZOWRHXWDDI-JYJNAYRXSA-N 2 1 269.477 2.427 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000353492199 283187617 /nfs/dbraw/zinc/18/76/17/283187617.db2.gz UBIFZOWRHXWDDI-JYJNAYRXSA-N 2 1 269.477 2.427 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000353492199 283187618 /nfs/dbraw/zinc/18/76/18/283187618.db2.gz UBIFZOWRHXWDDI-JYJNAYRXSA-N 2 1 269.477 2.427 20 0 CEADMP C([C@@H]1CC[N@H+](CC2CCOCC2)C1)[NH+]1CCCCC1 ZINC000075834243 363490817 /nfs/dbraw/zinc/49/08/17/363490817.db2.gz QPFFCJQTLCFIBI-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452174444 283214071 /nfs/dbraw/zinc/21/40/71/283214071.db2.gz QCONRAZUVBZFKH-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CN1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000093678199 538781205 /nfs/dbraw/zinc/78/12/05/538781205.db2.gz OUVXCLVSDVCILE-ALOPSCKCSA-N 2 1 279.472 2.181 20 0 CEADMP C[N@@H+](CCN[C@@H]1CC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000166275304 540295463 /nfs/dbraw/zinc/29/54/63/540295463.db2.gz MSWBIPDMOISFNN-QZTJIDSGSA-N 2 1 287.451 2.335 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000166275304 540295465 /nfs/dbraw/zinc/29/54/65/540295465.db2.gz MSWBIPDMOISFNN-QZTJIDSGSA-N 2 1 287.451 2.335 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000166275304 540295467 /nfs/dbraw/zinc/29/54/67/540295467.db2.gz MSWBIPDMOISFNN-QZTJIDSGSA-N 2 1 287.451 2.335 20 0 CEADMP CN(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000166275304 540295468 /nfs/dbraw/zinc/29/54/68/540295468.db2.gz MSWBIPDMOISFNN-QZTJIDSGSA-N 2 1 287.451 2.335 20 0 CEADMP CN(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000166275304 540295469 /nfs/dbraw/zinc/29/54/69/540295469.db2.gz MSWBIPDMOISFNN-QZTJIDSGSA-N 2 1 287.451 2.335 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC000357773717 540367631 /nfs/dbraw/zinc/36/76/31/540367631.db2.gz HVLFIWLXFUJSII-GFCCVEGCSA-N 2 1 250.390 2.048 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC000357773717 540367634 /nfs/dbraw/zinc/36/76/34/540367634.db2.gz HVLFIWLXFUJSII-GFCCVEGCSA-N 2 1 250.390 2.048 20 0 CEADMP Cc1cccc(C)c1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000577767730 366396145 /nfs/dbraw/zinc/39/61/45/366396145.db2.gz JVVBZWYGPYISAW-UHFFFAOYSA-N 2 1 276.424 2.240 20 0 CEADMP Cc1nn(C)c(Cl)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000135234042 366413334 /nfs/dbraw/zinc/41/33/34/366413334.db2.gz ZHKKCCAXPNEFSW-YHWZYXNKSA-N 2 1 296.846 2.487 20 0 CEADMP Cc1nn(C)c(Cl)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000135234042 366413340 /nfs/dbraw/zinc/41/33/40/366413340.db2.gz ZHKKCCAXPNEFSW-YHWZYXNKSA-N 2 1 296.846 2.487 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOc1ccc(F)cc1 ZINC000135353254 366432273 /nfs/dbraw/zinc/43/22/73/366432273.db2.gz RXNYASOAUBWSTC-STQMWFEESA-N 2 1 266.360 2.264 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414914584 236554520 /nfs/dbraw/zinc/55/45/20/236554520.db2.gz KUKIWAOKUNHDIV-INIZCTEOSA-N 2 1 284.407 2.412 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)OC1CCC1 ZINC000496545830 291149872 /nfs/dbraw/zinc/14/98/72/291149872.db2.gz GTOLRARVCJWZPP-CQSZACIVSA-N 2 1 297.443 2.023 20 0 CEADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC000415012008 236595277 /nfs/dbraw/zinc/59/52/77/236595277.db2.gz RTSMHZQTHIHWOD-FCGDIQPGSA-N 3 1 299.462 2.457 20 0 CEADMP CC(C)[C@@H](CO)[C@@H]([NH2+]CCCc1c[nH+]cn1C)C(C)C ZINC000570981552 299287594 /nfs/dbraw/zinc/28/75/94/299287594.db2.gz QVHPCOMYWYAOMT-CVEARBPZSA-N 2 1 281.444 2.231 20 0 CEADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000312998136 540463829 /nfs/dbraw/zinc/46/38/29/540463829.db2.gz YVBQXSWAIJUWNR-JKSUJKDBSA-N 2 1 298.471 2.018 20 0 CEADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000312998136 540463832 /nfs/dbraw/zinc/46/38/32/540463832.db2.gz YVBQXSWAIJUWNR-JKSUJKDBSA-N 2 1 298.471 2.018 20 0 CEADMP CCn1cncc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000417730079 237257172 /nfs/dbraw/zinc/25/71/72/237257172.db2.gz MBJOMNINTCAXKF-LBPRGKRZSA-N 2 1 259.357 2.006 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000578717321 366535527 /nfs/dbraw/zinc/53/55/27/366535527.db2.gz CNPJBPBEURJNAZ-QZTJIDSGSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000578717321 366535536 /nfs/dbraw/zinc/53/55/36/366535536.db2.gz CNPJBPBEURJNAZ-QZTJIDSGSA-N 2 1 290.451 2.396 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000338869904 366553138 /nfs/dbraw/zinc/55/31/38/366553138.db2.gz OEVFPNDITYWMKM-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000578741256 366541380 /nfs/dbraw/zinc/54/13/80/366541380.db2.gz NJNUZVFQUMYJLL-HOTGVXAUSA-N 2 1 268.445 2.249 20 0 CEADMP C[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000578981275 366574698 /nfs/dbraw/zinc/57/46/98/366574698.db2.gz KAZPMWPSZZFUJW-OUCADQQQSA-N 2 1 268.426 2.101 20 0 CEADMP C[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000578981275 366574702 /nfs/dbraw/zinc/57/47/02/366574702.db2.gz KAZPMWPSZZFUJW-OUCADQQQSA-N 2 1 268.426 2.101 20 0 CEADMP C[C@H]1C[C@@H](NCC[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000151026737 366614035 /nfs/dbraw/zinc/61/40/35/366614035.db2.gz QZOJRYTXNBMMHF-RDJZCZTQSA-N 2 1 275.440 2.191 20 0 CEADMP C[C@H]1C[C@@H](NCC[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000151026737 366614037 /nfs/dbraw/zinc/61/40/37/366614037.db2.gz QZOJRYTXNBMMHF-RDJZCZTQSA-N 2 1 275.440 2.191 20 0 CEADMP C[C@H]1C[C@@H](NCC[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000151026737 366614040 /nfs/dbraw/zinc/61/40/40/366614040.db2.gz QZOJRYTXNBMMHF-RDJZCZTQSA-N 2 1 275.440 2.191 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000151026737 366614041 /nfs/dbraw/zinc/61/40/41/366614041.db2.gz QZOJRYTXNBMMHF-RDJZCZTQSA-N 2 1 275.440 2.191 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCN(C)Cc2ccccc2)CC[N@H+]1C ZINC000151026737 366614043 /nfs/dbraw/zinc/61/40/43/366614043.db2.gz QZOJRYTXNBMMHF-RDJZCZTQSA-N 2 1 275.440 2.191 20 0 CEADMP COC1(CC[N@H+]2CC[C@@H](Oc3ccncc3)C2)CCC1 ZINC000339024000 366617802 /nfs/dbraw/zinc/61/78/02/366617802.db2.gz PHWYTHUZLDRQJK-OAHLLOKOSA-N 2 1 276.380 2.494 20 0 CEADMP COC1(CC[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)CCC1 ZINC000339009722 366612174 /nfs/dbraw/zinc/61/21/74/366612174.db2.gz GXYIOQFWWIEWFS-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CCC1 ZINC000339009722 366612175 /nfs/dbraw/zinc/61/21/75/366612175.db2.gz GXYIOQFWWIEWFS-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CCC1 ZINC000339009722 366612178 /nfs/dbraw/zinc/61/21/78/366612178.db2.gz GXYIOQFWWIEWFS-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000339009722 366612181 /nfs/dbraw/zinc/61/21/81/366612181.db2.gz GXYIOQFWWIEWFS-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000339009722 366612185 /nfs/dbraw/zinc/61/21/85/366612185.db2.gz GXYIOQFWWIEWFS-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(CC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CCC1 ZINC000339045605 366629048 /nfs/dbraw/zinc/62/90/48/366629048.db2.gz XEKDVBMUNBZGLQ-ARFHVFGLSA-N 2 1 296.455 2.129 20 0 CEADMP Fc1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339065969 366639147 /nfs/dbraw/zinc/63/91/47/366639147.db2.gz CQDAHKKOUMGGEE-LSDHHAIUSA-N 2 1 278.371 2.421 20 0 CEADMP Cc1cccc(C[C@H](CO)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298122531 200338613 /nfs/dbraw/zinc/33/86/13/200338613.db2.gz PJFOCGIICHQTMM-QGZVFWFLSA-N 2 1 288.435 2.115 20 0 CEADMP CCNC(=O)C[C@H]1CCCC[N@H+]1CCC[NH+](CC)CC ZINC000342060586 216203944 /nfs/dbraw/zinc/20/39/44/216203944.db2.gz LAQYIHLLRKFKRB-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](CCO)c2ccccc2)[C@H](C)C1 ZINC000178647905 189133973 /nfs/dbraw/zinc/13/39/73/189133973.db2.gz PJNBKQHETNVZQZ-KBAYOESNSA-N 2 1 290.451 2.473 20 0 CEADMP COc1ccc([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000178971237 189158674 /nfs/dbraw/zinc/15/86/74/189158674.db2.gz RXJASFZYRAYOCC-INIZCTEOSA-N 2 1 274.408 2.484 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc(C)cs2)[C@@H](C)C1 ZINC000675748138 540870724 /nfs/dbraw/zinc/87/07/24/540870724.db2.gz BNGNQTAMYRIJFW-WCQYABFASA-N 2 1 267.442 2.314 20 0 CEADMP COc1nc(C)cc(C)c1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000675808678 540875391 /nfs/dbraw/zinc/87/53/91/540875391.db2.gz QGQOWRKXXQOXPW-KBPBESRZSA-N 2 1 277.412 2.279 20 0 CEADMP C[C@@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180113465 189237981 /nfs/dbraw/zinc/23/79/81/189237981.db2.gz WMUFEKDSPWGXOC-CCNLRDMRSA-N 2 1 288.435 2.400 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CC[C@H](F)C2)s1 ZINC000342290215 216294068 /nfs/dbraw/zinc/29/40/68/216294068.db2.gz WZKHWCZZWGHHIT-UWVGGRQHSA-N 2 1 257.378 2.185 20 0 CEADMP CC[C@@H](C)C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000339409903 366698441 /nfs/dbraw/zinc/69/84/41/366698441.db2.gz ODBLDDQPUFOTFN-HUUCEWRRSA-N 2 1 290.455 2.410 20 0 CEADMP CCc1nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(C)[nH+]1 ZINC000339970660 366733918 /nfs/dbraw/zinc/73/39/18/366733918.db2.gz LGIJNJBLMBDDFM-UHFFFAOYSA-N 2 1 276.428 2.490 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CCc2ccccc2)CC[N@@H+]1C ZINC000182438724 189323675 /nfs/dbraw/zinc/32/36/75/189323675.db2.gz BPZIBBYHYMRGJO-KBAYOESNSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CCc2ccccc2)CC[N@H+]1C ZINC000182438724 189323676 /nfs/dbraw/zinc/32/36/76/189323676.db2.gz BPZIBBYHYMRGJO-KBAYOESNSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CCc2ccccc2)CC[NH+]1C ZINC000182438724 189323677 /nfs/dbraw/zinc/32/36/77/189323677.db2.gz BPZIBBYHYMRGJO-KBAYOESNSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CCc2ccccc2)CC[NH+]1C ZINC000182438724 189323678 /nfs/dbraw/zinc/32/36/78/189323678.db2.gz BPZIBBYHYMRGJO-KBAYOESNSA-N 2 1 290.451 2.395 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)[C@H]2CCC[C@H]21 ZINC000580075464 366746906 /nfs/dbraw/zinc/74/69/06/366746906.db2.gz OSNJBORKDFKRGO-IXDOHACOSA-N 3 1 273.424 2.108 20 0 CEADMP CN1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)[C@H]2CCC[C@H]21 ZINC000580075464 366746915 /nfs/dbraw/zinc/74/69/15/366746915.db2.gz OSNJBORKDFKRGO-IXDOHACOSA-N 2 1 273.424 2.108 20 0 CEADMP C[N@@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2)[C@H]2CCC[C@H]21 ZINC000580075464 366746919 /nfs/dbraw/zinc/74/69/19/366746919.db2.gz OSNJBORKDFKRGO-IXDOHACOSA-N 2 1 273.424 2.108 20 0 CEADMP C[N@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2)[C@H]2CCC[C@H]21 ZINC000580075464 366746925 /nfs/dbraw/zinc/74/69/25/366746925.db2.gz OSNJBORKDFKRGO-IXDOHACOSA-N 2 1 273.424 2.108 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154602568 366780872 /nfs/dbraw/zinc/78/08/72/366780872.db2.gz JWVHESUZFICASB-QLFBSQMISA-N 2 1 256.434 2.103 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)NC(C)(C)CCC[NH3+] ZINC000340135564 366781010 /nfs/dbraw/zinc/78/10/10/366781010.db2.gz FESDTIQOKPUBLF-UHFFFAOYSA-N 2 1 280.416 2.030 20 0 CEADMP C[N@@H+](CCCNC(=O)C[C@@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000340127749 366778545 /nfs/dbraw/zinc/77/85/45/366778545.db2.gz ZIEYCFXWQITUEM-HOCLYGCPSA-N 2 1 295.471 2.275 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000340206036 366803788 /nfs/dbraw/zinc/80/37/88/366803788.db2.gz LCTWLXNRFMAJFH-JKSUJKDBSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340244510 366818278 /nfs/dbraw/zinc/81/82/78/366818278.db2.gz JOEFKXJEZHBIMS-NUEKZKHPSA-N 2 1 262.397 2.182 20 0 CEADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340244510 366818285 /nfs/dbraw/zinc/81/82/85/366818285.db2.gz JOEFKXJEZHBIMS-NUEKZKHPSA-N 2 1 262.397 2.182 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC(C)(C)OCC1(C)C ZINC000678077085 541078177 /nfs/dbraw/zinc/07/81/77/541078177.db2.gz HRTXJJFZGAZMMF-ZDUSSCGKSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC(C)(C)OCC1(C)C ZINC000678077085 541078181 /nfs/dbraw/zinc/07/81/81/541078181.db2.gz HRTXJJFZGAZMMF-ZDUSSCGKSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC(C)(C)OCC1(C)C ZINC000678077085 541078185 /nfs/dbraw/zinc/07/81/85/541078185.db2.gz HRTXJJFZGAZMMF-ZDUSSCGKSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC(C)(C)OCC1(C)C ZINC000678077085 541078187 /nfs/dbraw/zinc/07/81/87/541078187.db2.gz HRTXJJFZGAZMMF-ZDUSSCGKSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOCC2(C)C)cc1 ZINC000678210173 541094710 /nfs/dbraw/zinc/09/47/10/541094710.db2.gz HJVBDMZUTIYHLZ-UHFFFAOYSA-N 2 1 292.423 2.238 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCOCC2(C)C)cc1 ZINC000678210173 541094713 /nfs/dbraw/zinc/09/47/13/541094713.db2.gz HJVBDMZUTIYHLZ-UHFFFAOYSA-N 2 1 292.423 2.238 20 0 CEADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000571843115 299331292 /nfs/dbraw/zinc/33/12/92/299331292.db2.gz RUORKKVPRKHCRN-DZUCGIPZSA-N 2 1 282.472 2.492 20 0 CEADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000571843115 299331294 /nfs/dbraw/zinc/33/12/94/299331294.db2.gz RUORKKVPRKHCRN-DZUCGIPZSA-N 2 1 282.472 2.492 20 0 CEADMP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000335750043 212482919 /nfs/dbraw/zinc/48/29/19/212482919.db2.gz YKHQSSWSIGRNFT-CMPLNLGQSA-N 2 1 276.409 2.307 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000335750043 212482920 /nfs/dbraw/zinc/48/29/20/212482920.db2.gz YKHQSSWSIGRNFT-CMPLNLGQSA-N 2 1 276.409 2.307 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2-n2cncn2)CC[N@@H+]1C ZINC000678278109 541110445 /nfs/dbraw/zinc/11/04/45/541110445.db2.gz MNBMWSKTVJWSKN-HOCLYGCPSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2-n2cncn2)CC[N@H+]1C ZINC000678278109 541110449 /nfs/dbraw/zinc/11/04/49/541110449.db2.gz MNBMWSKTVJWSKN-HOCLYGCPSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2-n2cncn2)CC[NH+]1C ZINC000678278109 541110453 /nfs/dbraw/zinc/11/04/53/541110453.db2.gz MNBMWSKTVJWSKN-HOCLYGCPSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2-n2cncn2)CC[NH+]1C ZINC000678278109 541110456 /nfs/dbraw/zinc/11/04/56/541110456.db2.gz MNBMWSKTVJWSKN-HOCLYGCPSA-N 2 1 299.422 2.182 20 0 CEADMP CC(C)CCn1cccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000678342912 541119018 /nfs/dbraw/zinc/11/90/18/541119018.db2.gz GXJJYALKAXYWSQ-GASCZTMLSA-N 2 1 261.413 2.185 20 0 CEADMP CC(C)CCn1cccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000678342912 541119022 /nfs/dbraw/zinc/11/90/22/541119022.db2.gz GXJJYALKAXYWSQ-GASCZTMLSA-N 2 1 261.413 2.185 20 0 CEADMP c1cn(CCC[N@H+]2CCOc3ccccc3C2)cn1 ZINC000678883849 541187841 /nfs/dbraw/zinc/18/78/41/541187841.db2.gz XFAWFMPPUYQEKI-UHFFFAOYSA-N 2 1 257.337 2.168 20 0 CEADMP C[C@H](CCCCO)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000679331866 541257385 /nfs/dbraw/zinc/25/73/85/541257385.db2.gz CHNHODGSKAMQGD-QLFBSQMISA-N 2 1 256.434 2.390 20 0 CEADMP C[C@H](CCCCO)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000679331866 541257387 /nfs/dbraw/zinc/25/73/87/541257387.db2.gz CHNHODGSKAMQGD-QLFBSQMISA-N 2 1 256.434 2.390 20 0 CEADMP C[C@@H](CCCCO)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000679334482 541258558 /nfs/dbraw/zinc/25/85/58/541258558.db2.gz VVHYEDFSWCGWSV-XHSDSOJGSA-N 2 1 270.461 2.495 20 0 CEADMP C[N@@H+](CCCNc1cc[nH+]cc1C(N)=O)C1CCCCC1 ZINC000302206205 201396161 /nfs/dbraw/zinc/39/61/61/201396161.db2.gz DLUMIGZVVRREFJ-UHFFFAOYSA-N 2 1 290.411 2.247 20 0 CEADMP COc1ccccc1OCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000088399413 363893899 /nfs/dbraw/zinc/89/38/99/363893899.db2.gz VCFNMRHILOKVBC-ZIAGYGMSSA-N 2 1 278.396 2.133 20 0 CEADMP Cc1ccc(CN[C@H]2C[N@@H+](C)C[C@H]2C)c(N2CCCC2)n1 ZINC000679720702 541312560 /nfs/dbraw/zinc/31/25/60/541312560.db2.gz AYSWDKAOBCXTFJ-CJNGLKHVSA-N 2 1 288.439 2.030 20 0 CEADMP Cc1ccc(CN[C@H]2C[N@H+](C)C[C@H]2C)c(N2CCCC2)n1 ZINC000679720702 541312565 /nfs/dbraw/zinc/31/25/65/541312565.db2.gz AYSWDKAOBCXTFJ-CJNGLKHVSA-N 2 1 288.439 2.030 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000092561086 364082881 /nfs/dbraw/zinc/08/28/81/364082881.db2.gz LGHVWFFSACTZFK-LSDHHAIUSA-N 2 1 256.434 2.371 20 0 CEADMP CC[C@@H](COC)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090586158 364061801 /nfs/dbraw/zinc/06/18/01/364061801.db2.gz PJYAMLMJRPAZSX-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090586157 364062555 /nfs/dbraw/zinc/06/25/55/364062555.db2.gz PJYAMLMJRPAZSX-LSDHHAIUSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000334644648 364126325 /nfs/dbraw/zinc/12/63/25/364126325.db2.gz ZSHJHPAFOYLTLF-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000334649565 364133920 /nfs/dbraw/zinc/13/39/20/364133920.db2.gz JAZBDHKKAHYUED-GXTWGEPZSA-N 2 1 259.397 2.214 20 0 CEADMP CCn1nc(C)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1C ZINC000093088882 364140079 /nfs/dbraw/zinc/14/00/79/364140079.db2.gz ZAOMQFSANPJRCS-UHFFFAOYSA-N 2 1 278.444 2.293 20 0 CEADMP C[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000237466931 370724292 /nfs/dbraw/zinc/72/42/92/370724292.db2.gz ZJZFKSPSLFEFQI-UONOGXRCSA-N 2 1 289.423 2.024 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cncn2C)C1 ZINC000237511502 370728570 /nfs/dbraw/zinc/72/85/70/370728570.db2.gz FBWGPLKEXKOEEW-GASCZTMLSA-N 2 1 278.444 2.268 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@H](C2CC2)C(C)(C)CO)s1 ZINC000356529341 370743889 /nfs/dbraw/zinc/74/38/89/370743889.db2.gz QVEYRFRQXPQDEN-CQSZACIVSA-N 2 1 297.468 2.091 20 0 CEADMP C[C@H](O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638795344 370757253 /nfs/dbraw/zinc/75/72/53/370757253.db2.gz BSXUKAFNUAOSEK-JLJPHGGASA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H](O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638795344 370757258 /nfs/dbraw/zinc/75/72/58/370757258.db2.gz BSXUKAFNUAOSEK-JLJPHGGASA-N 2 1 274.408 2.325 20 0 CEADMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(C(C)(C)C)n1 ZINC000093947563 364243737 /nfs/dbraw/zinc/24/37/37/364243737.db2.gz MSBDZRVHLRMFLN-CYBMUJFWSA-N 2 1 290.455 2.292 20 0 CEADMP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C(C)(C)C)n1 ZINC000093947563 364243739 /nfs/dbraw/zinc/24/37/39/364243739.db2.gz MSBDZRVHLRMFLN-CYBMUJFWSA-N 2 1 290.455 2.292 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000356613691 370774136 /nfs/dbraw/zinc/77/41/36/370774136.db2.gz GJKMSXCTZLQOKW-VGWMRTNUSA-N 2 1 297.487 2.484 20 0 CEADMP Nc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000334978811 364302928 /nfs/dbraw/zinc/30/29/28/364302928.db2.gz AJLZHAKFKZKBLQ-LSDHHAIUSA-N 2 1 259.397 2.090 20 0 CEADMP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH2+]CC1)CCCO2 ZINC000335022072 364364033 /nfs/dbraw/zinc/36/40/33/364364033.db2.gz CZUCKJWQYISXMI-CQSZACIVSA-N 2 1 264.344 2.381 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000335052504 364405180 /nfs/dbraw/zinc/40/51/80/364405180.db2.gz LQYCUCWRUZPYEV-CZUORRHYSA-N 2 1 273.424 2.475 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)C(C)(C)C)cc1 ZINC000581944165 366838199 /nfs/dbraw/zinc/83/81/99/366838199.db2.gz UNTUJCSXHWCZII-ZDUSSCGKSA-N 2 1 250.386 2.468 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000096268646 364420748 /nfs/dbraw/zinc/42/07/48/364420748.db2.gz AVFKQSXJDXPDGN-INIZCTEOSA-N 2 1 260.381 2.223 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000096268646 364420753 /nfs/dbraw/zinc/42/07/53/364420753.db2.gz AVFKQSXJDXPDGN-INIZCTEOSA-N 2 1 260.381 2.223 20 0 CEADMP COc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000096268646 364420759 /nfs/dbraw/zinc/42/07/59/364420759.db2.gz AVFKQSXJDXPDGN-INIZCTEOSA-N 2 1 260.381 2.223 20 0 CEADMP COc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000096268646 364420764 /nfs/dbraw/zinc/42/07/64/364420764.db2.gz AVFKQSXJDXPDGN-INIZCTEOSA-N 2 1 260.381 2.223 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000335069964 364430337 /nfs/dbraw/zinc/43/03/37/364430337.db2.gz OFQUKYBZEKVSRP-BWZWCVMUSA-N 3 1 291.483 2.070 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CCn1cccn1 ZINC000157642601 366847121 /nfs/dbraw/zinc/84/71/21/366847121.db2.gz OUISGZFXRAQZHS-OWCLPIDISA-N 2 1 278.444 2.372 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CCn1cccn1 ZINC000157642601 366847128 /nfs/dbraw/zinc/84/71/28/366847128.db2.gz OUISGZFXRAQZHS-OWCLPIDISA-N 2 1 278.444 2.372 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCCCO1)CC2 ZINC000335109062 364489967 /nfs/dbraw/zinc/48/99/67/364489967.db2.gz YFQUVDHELKUDBF-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CCCCO1)CC2 ZINC000335109062 364489975 /nfs/dbraw/zinc/48/99/75/364489975.db2.gz YFQUVDHELKUDBF-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cscn3)C2)CC1 ZINC000335144474 364537647 /nfs/dbraw/zinc/53/76/47/364537647.db2.gz FYCWKGMXCOYSPR-ZDUSSCGKSA-N 2 1 265.426 2.307 20 0 CEADMP Cc1ncsc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000335147819 364542391 /nfs/dbraw/zinc/54/23/91/364542391.db2.gz QMNPDHZPBGEMLM-OLZOCXBDSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H]1CCCC[C@H]1O ZINC000582066335 366857580 /nfs/dbraw/zinc/85/75/80/366857580.db2.gz YGQXDLLXIKAPOH-OWCLPIDISA-N 2 1 277.412 2.207 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000335638013 212353662 /nfs/dbraw/zinc/35/36/62/212353662.db2.gz ZQTZWOZNLMDYQV-OLZOCXBDSA-N 2 1 265.426 2.273 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCOCC23CCCC3)CC[NH2+]1 ZINC000335649028 364818628 /nfs/dbraw/zinc/81/86/28/364818628.db2.gz BFJFMGBNAZXILH-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)n21 ZINC000335758634 364940601 /nfs/dbraw/zinc/94/06/01/364940601.db2.gz JHWVDYIYKNUCEC-UONOGXRCSA-N 2 1 272.396 2.202 20 0 CEADMP Cc1cccc2ncc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)n21 ZINC000335758634 364940603 /nfs/dbraw/zinc/94/06/03/364940603.db2.gz JHWVDYIYKNUCEC-UONOGXRCSA-N 2 1 272.396 2.202 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2ccnc2)c1 ZINC000117746256 365122296 /nfs/dbraw/zinc/12/22/96/365122296.db2.gz JDLSNTGMQODZEL-INIZCTEOSA-N 2 1 298.390 2.086 20 0 CEADMP C(C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)C[C@@H]1CCO1 ZINC000638863672 370805259 /nfs/dbraw/zinc/80/52/59/370805259.db2.gz BWYQMNCDXMWIKS-MRXNPFEDSA-N 2 1 296.455 2.180 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC2(OC)CCC2)[C@H](C)C1 ZINC000340440744 366886613 /nfs/dbraw/zinc/88/66/13/366886613.db2.gz JTAGLYHRZRWWGM-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1OCC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000119919348 365344545 /nfs/dbraw/zinc/34/45/45/365344545.db2.gz UNQOLOKSHNJYNB-GDBMZVCRSA-N 2 1 262.397 2.276 20 0 CEADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000275680943 193103997 /nfs/dbraw/zinc/10/39/97/193103997.db2.gz IEVTYMIHQICZNL-HYVNUMGLSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000275680943 193103999 /nfs/dbraw/zinc/10/39/99/193103999.db2.gz IEVTYMIHQICZNL-HYVNUMGLSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275760546 193120964 /nfs/dbraw/zinc/12/09/64/193120964.db2.gz STRJSNHBWLWQBK-PVAVHDDUSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275760546 193120966 /nfs/dbraw/zinc/12/09/66/193120966.db2.gz STRJSNHBWLWQBK-PVAVHDDUSA-N 2 1 276.424 2.400 20 0 CEADMP c1cncc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)c1 ZINC000336081170 365381211 /nfs/dbraw/zinc/38/12/11/365381211.db2.gz ITDDIBBPIWTWPF-HDICACEKSA-N 2 1 279.387 2.400 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc[nH]c(=O)c1 ZINC000340450253 366890452 /nfs/dbraw/zinc/89/04/52/366890452.db2.gz QBPMGQJNELRZEH-FPMFFAJLSA-N 2 1 261.369 2.065 20 0 CEADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cn[nH]c1 ZINC000340473041 366899396 /nfs/dbraw/zinc/89/93/96/366899396.db2.gz GCAJFWPGWUMXLP-MCIONIFRSA-N 2 1 264.417 2.428 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000340474642 366899494 /nfs/dbraw/zinc/89/94/94/366899494.db2.gz LMOLAJOPTDXKLO-STQMWFEESA-N 2 1 250.390 2.181 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000340474642 366899497 /nfs/dbraw/zinc/89/94/97/366899497.db2.gz LMOLAJOPTDXKLO-STQMWFEESA-N 2 1 250.390 2.181 20 0 CEADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1c(C)nn(C)c1C ZINC000582368145 366901840 /nfs/dbraw/zinc/90/18/40/366901840.db2.gz XZUCSIVPWBOKFW-HNNXBMFYSA-N 2 1 289.427 2.444 20 0 CEADMP c1cc2c(c(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c1)NCC2 ZINC000336151584 365481367 /nfs/dbraw/zinc/48/13/67/365481367.db2.gz INYUYBOUSUSJTI-KRWDZBQOSA-N 2 1 271.408 2.230 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000582704298 366945727 /nfs/dbraw/zinc/94/57/27/366945727.db2.gz SEKDGLBIYZOWFZ-IAGOWNOFSA-N 2 1 278.440 2.252 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000582704298 366945729 /nfs/dbraw/zinc/94/57/29/366945729.db2.gz SEKDGLBIYZOWFZ-IAGOWNOFSA-N 2 1 278.440 2.252 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000582704298 366945732 /nfs/dbraw/zinc/94/57/32/366945732.db2.gz SEKDGLBIYZOWFZ-IAGOWNOFSA-N 2 1 278.440 2.252 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000582704298 366945733 /nfs/dbraw/zinc/94/57/33/366945733.db2.gz SEKDGLBIYZOWFZ-IAGOWNOFSA-N 2 1 278.440 2.252 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)ccn1 ZINC000340544770 366930932 /nfs/dbraw/zinc/93/09/32/366930932.db2.gz XGDXZYZWLKTCMK-GFCCVEGCSA-N 2 1 274.368 2.336 20 0 CEADMP c1cnn(-c2cccc(C[NH+]3CCC4(CC[NH2+]4)CC3)c2)c1 ZINC000335562868 212270696 /nfs/dbraw/zinc/27/06/96/212270696.db2.gz ZCJYZOSRZTZOAD-UHFFFAOYSA-N 2 1 282.391 2.200 20 0 CEADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CCC(N)=O)cc1 ZINC000583156115 367009337 /nfs/dbraw/zinc/00/93/37/367009337.db2.gz IMSXTCBQKVDWPI-CQSZACIVSA-N 2 1 289.423 2.026 20 0 CEADMP CCC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[NH+](C)C ZINC000162338652 367153110 /nfs/dbraw/zinc/15/31/10/367153110.db2.gz HCHBPMBLSJKORL-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP c1cn(CC[N@H+]2CC[C@H](COCc3ccccc3)C2)cn1 ZINC000163155572 367221034 /nfs/dbraw/zinc/22/10/34/367221034.db2.gz RFLOSRYLMMPZCC-KRWDZBQOSA-N 2 1 285.391 2.422 20 0 CEADMP Cc1cccc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000341189131 367213115 /nfs/dbraw/zinc/21/31/15/367213115.db2.gz PAJXFVMPNKGFKR-UHFFFAOYSA-N 2 1 289.423 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000245607024 370848101 /nfs/dbraw/zinc/84/81/01/370848101.db2.gz KFQRZDOFDXQSIX-ZBFHGGJFSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1[nH+]ccn1CCCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000245607024 370848106 /nfs/dbraw/zinc/84/81/06/370848106.db2.gz KFQRZDOFDXQSIX-ZBFHGGJFSA-N 2 1 276.428 2.140 20 0 CEADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000341199687 367218786 /nfs/dbraw/zinc/21/87/86/367218786.db2.gz XUCUGHVWQCRMSZ-UHFFFAOYSA-N 2 1 293.386 2.038 20 0 CEADMP CC(C)[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CC1 ZINC000168346846 367351389 /nfs/dbraw/zinc/35/13/89/367351389.db2.gz AZSNGFPZVKLOTE-CQSZACIVSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c(C)n1 ZINC000165292693 367307410 /nfs/dbraw/zinc/30/74/10/367307410.db2.gz YCEDTLCNUJVWNY-QWHCGFSZSA-N 2 1 276.428 2.476 20 0 CEADMP COc1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166179243 367319647 /nfs/dbraw/zinc/31/96/47/367319647.db2.gz RSWQJYOYGMQXCZ-HZPDHXFCSA-N 2 1 274.408 2.454 20 0 CEADMP C[NH+]1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000631564320 367403470 /nfs/dbraw/zinc/40/34/70/367403470.db2.gz JLONFJAICQDAFA-LSDHHAIUSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000170758715 367406042 /nfs/dbraw/zinc/40/60/42/367406042.db2.gz RFBGZZVLTCFKOZ-AWEZNQCLSA-N 2 1 289.423 2.419 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000170758715 367406050 /nfs/dbraw/zinc/40/60/50/367406050.db2.gz RFBGZZVLTCFKOZ-AWEZNQCLSA-N 2 1 289.423 2.419 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631571714 367410023 /nfs/dbraw/zinc/41/00/23/367410023.db2.gz IESDOARSPFNNMU-VGWMRTNUSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC2(C)C)CCCO1 ZINC000342574549 367428503 /nfs/dbraw/zinc/42/85/03/367428503.db2.gz IKEWFLMDXMBOMY-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC2(C)C)CCCO1 ZINC000342574549 367428508 /nfs/dbraw/zinc/42/85/08/367428508.db2.gz IKEWFLMDXMBOMY-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC[N@@H+]1C ZINC000631587253 367422479 /nfs/dbraw/zinc/42/24/79/367422479.db2.gz GHYZCLIBRNKDLF-MIGQKNRLSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC[N@H+]1C ZINC000631587253 367422482 /nfs/dbraw/zinc/42/24/82/367422482.db2.gz GHYZCLIBRNKDLF-MIGQKNRLSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)[NH2+]CCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000168752575 367358946 /nfs/dbraw/zinc/35/89/46/367358946.db2.gz CRGUUZKVXNFXET-OAHLLOKOSA-N 2 1 291.439 2.011 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2ncccc21 ZINC000631620255 367443911 /nfs/dbraw/zinc/44/39/11/367443911.db2.gz BWNPFLRKVMZGFL-HNNXBMFYSA-N 2 1 256.353 2.025 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631636508 367456509 /nfs/dbraw/zinc/45/65/09/367456509.db2.gz DWVYZPPXACNYPF-UGUYLWEFSA-N 2 1 278.440 2.266 20 0 CEADMP c1c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc2ncccn12 ZINC000171387736 367531657 /nfs/dbraw/zinc/53/16/57/367531657.db2.gz HKKZDEUXSIWCIB-UHFFFAOYSA-N 2 1 299.422 2.037 20 0 CEADMP c1[nH]nc2cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)ccc12 ZINC000342806309 367548355 /nfs/dbraw/zinc/54/83/55/367548355.db2.gz PIOKSEQTVHYKJJ-HOTGVXAUSA-N 2 1 284.407 2.322 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCc2cccc3c2OC(F)(F)O3)C1 ZINC000631823293 367561014 /nfs/dbraw/zinc/56/10/14/367561014.db2.gz AMUWLTZBWWWTBQ-PWSUYJOCSA-N 2 1 298.333 2.220 20 0 CEADMP C[N@@H+](Cc1cccc2c1CCOC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631823247 367561284 /nfs/dbraw/zinc/56/12/84/367561284.db2.gz ZSZLVZGUXINZIR-SJPCQFCGSA-N 2 1 286.419 2.474 20 0 CEADMP CCc1nc(NCC2(C[NH+](C)C)CCCC2)cc(C)[nH+]1 ZINC000342833424 367562145 /nfs/dbraw/zinc/56/21/45/367562145.db2.gz GCRCXRUZHYNJCQ-UHFFFAOYSA-N 2 1 276.428 2.303 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)[C@@H]1CCC[NH3+] ZINC000631829340 367567236 /nfs/dbraw/zinc/56/72/36/367567236.db2.gz NVDBMRNFHODEIK-QLFBSQMISA-N 2 1 254.418 2.395 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](O)C(F)(F)F ZINC000631715266 367499249 /nfs/dbraw/zinc/49/92/49/367499249.db2.gz QFKPFRMNYSGBNK-WYUUTHIRSA-N 2 1 282.350 2.007 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](O)C(F)(F)F ZINC000631715266 367499251 /nfs/dbraw/zinc/49/92/51/367499251.db2.gz QFKPFRMNYSGBNK-WYUUTHIRSA-N 2 1 282.350 2.007 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CC[C@H]1C(F)(F)F ZINC000631830517 367568920 /nfs/dbraw/zinc/56/89/20/367568920.db2.gz UQAIDGLLKZIFDF-GRYCIOLGSA-N 2 1 280.334 2.015 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CC[C@H]1C(F)(F)F ZINC000631830517 367568921 /nfs/dbraw/zinc/56/89/21/367568921.db2.gz UQAIDGLLKZIFDF-GRYCIOLGSA-N 2 1 280.334 2.015 20 0 CEADMP CCC1([NH+]2CCCC2)CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000631837573 367577406 /nfs/dbraw/zinc/57/74/06/367577406.db2.gz UWLLLIXFGHJKLC-MRXNPFEDSA-N 2 1 279.472 2.326 20 0 CEADMP COc1cccc(CCC[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631840269 367580702 /nfs/dbraw/zinc/58/07/02/367580702.db2.gz QZWTVNDKBQGBOA-UKRRQHHQSA-N 2 1 262.397 2.154 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1C[NH3+] ZINC000631841225 367583325 /nfs/dbraw/zinc/58/33/25/367583325.db2.gz ZVQNJLZWQDDZII-SWLSCSKDSA-N 2 1 255.365 2.261 20 0 CEADMP Fc1ccccc1OCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886211 367608395 /nfs/dbraw/zinc/60/83/95/367608395.db2.gz HUXIGLRXTZAVPD-HIFRSBDPSA-N 2 1 278.371 2.278 20 0 CEADMP Fc1ccccc1OCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886211 367608402 /nfs/dbraw/zinc/60/84/02/367608402.db2.gz HUXIGLRXTZAVPD-HIFRSBDPSA-N 2 1 278.371 2.278 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887546 367609400 /nfs/dbraw/zinc/60/94/00/367609400.db2.gz ODXJJTPANSYTNJ-DOMZBBRYSA-N 2 1 263.385 2.119 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887546 367609405 /nfs/dbraw/zinc/60/94/05/367609405.db2.gz ODXJJTPANSYTNJ-DOMZBBRYSA-N 2 1 263.385 2.119 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886697 367609584 /nfs/dbraw/zinc/60/95/84/367609584.db2.gz JJXFFPZWYUSIOW-DOTOQJQBSA-N 2 1 287.407 2.219 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886697 367609588 /nfs/dbraw/zinc/60/95/88/367609588.db2.gz JJXFFPZWYUSIOW-DOTOQJQBSA-N 2 1 287.407 2.219 20 0 CEADMP c1cc(CCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)ccn1 ZINC000631889204 367611299 /nfs/dbraw/zinc/61/12/99/367611299.db2.gz DFOOKWHIKAHMQL-JKSUJKDBSA-N 2 1 259.397 2.088 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631890883 367612333 /nfs/dbraw/zinc/61/23/33/367612333.db2.gz WHNWXNRBXHSKPM-AAEUAGOBSA-N 2 1 251.399 2.025 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631890883 367612337 /nfs/dbraw/zinc/61/23/37/367612337.db2.gz WHNWXNRBXHSKPM-AAEUAGOBSA-N 2 1 251.399 2.025 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H](C)[NH+]2CCCC[C@@H]2C)C1 ZINC000343281435 367740926 /nfs/dbraw/zinc/74/09/26/367740926.db2.gz CWKSMOBRBGAQDD-CAOSSQGBSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H](C)[NH+]2CCCC[C@@H]2C)C1 ZINC000343281435 367740928 /nfs/dbraw/zinc/74/09/28/367740928.db2.gz CWKSMOBRBGAQDD-CAOSSQGBSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000343281435 367740931 /nfs/dbraw/zinc/74/09/31/367740931.db2.gz CWKSMOBRBGAQDD-CAOSSQGBSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC000343281435 367740933 /nfs/dbraw/zinc/74/09/33/367740933.db2.gz CWKSMOBRBGAQDD-CAOSSQGBSA-N 2 1 267.461 2.179 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccco1 ZINC000245906204 370885898 /nfs/dbraw/zinc/88/58/98/370885898.db2.gz BDCNTANGPNWSAO-QLFBSQMISA-N 2 1 277.412 2.099 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccco1 ZINC000245906204 370885903 /nfs/dbraw/zinc/88/59/03/370885903.db2.gz BDCNTANGPNWSAO-QLFBSQMISA-N 2 1 277.412 2.099 20 0 CEADMP Cc1cccc(OCC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000358057397 370889048 /nfs/dbraw/zinc/88/90/48/370889048.db2.gz FYIFOVOYZZDYJZ-HOCLYGCPSA-N 2 1 262.397 2.304 20 0 CEADMP C[C@H](CNC(=O)CCC1CC[NH2+]CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000245789436 370873880 /nfs/dbraw/zinc/87/38/80/370873880.db2.gz WXQDQCVLTHVGRY-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@@H+]1C[C@H](NC2CC[NH+](CC(C)C)CC2)[C@@H](C)C1 ZINC000358028229 370876176 /nfs/dbraw/zinc/87/61/76/370876176.db2.gz TTXJMJJKVJQTRA-HOCLYGCPSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)CC2CCCC2)[C@@H](C)C1 ZINC000343595621 367906624 /nfs/dbraw/zinc/90/66/24/367906624.db2.gz KNRWTKOFYXGULR-XIRDDKMYSA-N 2 1 282.472 2.495 20 0 CEADMP c1[nH]nc2c1cccc2C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000343615821 367917964 /nfs/dbraw/zinc/91/79/64/367917964.db2.gz KYRXYZSQCXCZLI-HUUCEWRRSA-N 2 1 270.380 2.279 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(CC)CCC[NH+](CC)CC)CC[N@H+]1C ZINC000632724541 367892172 /nfs/dbraw/zinc/89/21/72/367892172.db2.gz JZLQTUIKYVXCEC-JKSUJKDBSA-N 2 1 297.487 2.297 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(O)c2)[C@H](C)C1 ZINC000173363292 367902486 /nfs/dbraw/zinc/90/24/86/367902486.db2.gz DECWTFHYYHGIGD-TZMCWYRMSA-N 2 1 278.396 2.221 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(O)c2)[C@H](C)C1 ZINC000173363292 367902489 /nfs/dbraw/zinc/90/24/89/367902489.db2.gz DECWTFHYYHGIGD-TZMCWYRMSA-N 2 1 278.396 2.221 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000173362202 367902616 /nfs/dbraw/zinc/90/26/16/367902616.db2.gz ROGBKIDWDOGGKE-UKRRQHHQSA-N 2 1 290.407 2.278 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000173362202 367902620 /nfs/dbraw/zinc/90/26/20/367902620.db2.gz ROGBKIDWDOGGKE-UKRRQHHQSA-N 2 1 290.407 2.278 20 0 CEADMP CC[C@H](C)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343757994 367990238 /nfs/dbraw/zinc/99/02/38/367990238.db2.gz GWSKARPVJSROKO-LSDHHAIUSA-N 2 1 267.461 2.133 20 0 CEADMP C[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000682132684 541634668 /nfs/dbraw/zinc/63/46/68/541634668.db2.gz FNOGABALMOPVTN-BPLDGKMQSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@]1(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000343836957 368032322 /nfs/dbraw/zinc/03/23/22/368032322.db2.gz VSYJXZQCQWILHG-WBVHZDCISA-N 2 1 295.471 2.289 20 0 CEADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000344271901 368118475 /nfs/dbraw/zinc/11/84/75/368118475.db2.gz APTAFCPDURTYFI-BZUAXINKSA-N 2 1 280.456 2.392 20 0 CEADMP C[C@@H]1[C@H](NC(=O)c2sccc2C[NH+](C)C)CCC[N@@H+]1C ZINC000345323898 368236630 /nfs/dbraw/zinc/23/66/30/368236630.db2.gz PYSIPKJZNSDSJW-DGCLKSJQSA-N 2 1 295.452 2.022 20 0 CEADMP C[C@@H]1[C@H](NC(=O)c2sccc2C[NH+](C)C)CCC[N@H+]1C ZINC000345323898 368236636 /nfs/dbraw/zinc/23/66/36/368236636.db2.gz PYSIPKJZNSDSJW-DGCLKSJQSA-N 2 1 295.452 2.022 20 0 CEADMP COc1ncccc1CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000176461229 368240776 /nfs/dbraw/zinc/24/07/76/368240776.db2.gz NVDHIRIYACTJJT-OAHLLOKOSA-N 2 1 277.412 2.396 20 0 CEADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000178254649 368294409 /nfs/dbraw/zinc/29/44/09/368294409.db2.gz QBPZLMOLYIFWLN-RHSMWYFYSA-N 2 1 279.472 2.181 20 0 CEADMP CCC1([NH+](C)C)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000634121659 368546219 /nfs/dbraw/zinc/54/62/19/368546219.db2.gz BCHLAFCBWKFGKN-GASCZTMLSA-N 2 1 295.471 2.192 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](C)CC[C@H]1C ZINC000346150949 368563475 /nfs/dbraw/zinc/56/34/75/368563475.db2.gz NRFFLICKIBCZQB-CQSZACIVSA-N 2 1 299.422 2.102 20 0 CEADMP Cc1ccc(F)cc1C[N@H+](CCO)C1CCN(C)CC1 ZINC000183249033 368618422 /nfs/dbraw/zinc/61/84/22/368618422.db2.gz KLGUOMYIIGYQQD-UHFFFAOYSA-N 2 1 280.387 2.023 20 0 CEADMP Cc1ccc(F)cc1CN(CCO)C1CC[NH+](C)CC1 ZINC000183249033 368618429 /nfs/dbraw/zinc/61/84/29/368618429.db2.gz KLGUOMYIIGYQQD-UHFFFAOYSA-N 2 1 280.387 2.023 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000572713778 299391406 /nfs/dbraw/zinc/39/14/06/299391406.db2.gz CUWYRQWXYKYHMT-HOTGVXAUSA-N 2 1 268.445 2.249 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2CCCO2)C[C@H]1C ZINC000346443642 368676703 /nfs/dbraw/zinc/67/67/03/368676703.db2.gz JTGZVIIPOCORJZ-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CCCO2)C[C@H]1C ZINC000346443642 368676709 /nfs/dbraw/zinc/67/67/09/368676709.db2.gz JTGZVIIPOCORJZ-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2CCCO2)C[C@H]1C ZINC000346443642 368676716 /nfs/dbraw/zinc/67/67/16/368676716.db2.gz JTGZVIIPOCORJZ-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000346631892 368743096 /nfs/dbraw/zinc/74/30/96/368743096.db2.gz DBCZCBUCUSQWIE-QWRGUYRKSA-N 2 1 276.409 2.307 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000185197623 368766190 /nfs/dbraw/zinc/76/61/90/368766190.db2.gz STKRQABKAIOVLZ-LSDHHAIUSA-N 2 1 286.460 2.136 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185205654 368767259 /nfs/dbraw/zinc/76/72/59/368767259.db2.gz YBFKHWTXQOFVPB-INIZCTEOSA-N 2 1 279.428 2.424 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000346685468 368768407 /nfs/dbraw/zinc/76/84/07/368768407.db2.gz SIVDOGPAYJETIQ-TZMCWYRMSA-N 2 1 270.380 2.246 20 0 CEADMP Cc1ncc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1-c1ccccc1 ZINC000346646156 368749972 /nfs/dbraw/zinc/74/99/72/368749972.db2.gz ADMZDVIKOLUZHJ-DZGCQCFKSA-N 2 1 284.407 2.350 20 0 CEADMP Cc1ncc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1-c1ccccc1 ZINC000346646156 368749978 /nfs/dbraw/zinc/74/99/78/368749978.db2.gz ADMZDVIKOLUZHJ-DZGCQCFKSA-N 2 1 284.407 2.350 20 0 CEADMP CCN(CCC[NH+]1CCC([NH+](C)C)CC1)CC(F)(F)F ZINC000347262849 368804606 /nfs/dbraw/zinc/80/46/06/368804606.db2.gz CIRZUXVTBJVLKO-UHFFFAOYSA-N 2 1 295.393 2.287 20 0 CEADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)[C@@H]1CCCCO1 ZINC000347442926 368809921 /nfs/dbraw/zinc/80/99/21/368809921.db2.gz QMLAJEBJEBFCQW-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185490928 368813531 /nfs/dbraw/zinc/81/35/31/368813531.db2.gz PIYYBFIITUEZHW-QGZVFWFLSA-N 2 1 288.435 2.454 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3ncccc23)CC[C@@H]1[NH3+] ZINC000634687607 368815491 /nfs/dbraw/zinc/81/54/91/368815491.db2.gz RQGOOJZNTUDADJ-WFASDCNBSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])O1 ZINC000634688356 368817350 /nfs/dbraw/zinc/81/73/50/368817350.db2.gz PTFMQGJHHLDJHK-KBUPBQIOSA-N 2 1 254.418 2.393 20 0 CEADMP O[C@]1(C[NH2+]CC2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634643024 368793386 /nfs/dbraw/zinc/79/33/86/368793386.db2.gz VHJVQOPBXMRZFR-KRWDZBQOSA-N 2 1 274.408 2.013 20 0 CEADMP O[C@]1(C[NH2+]CC2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634643024 368793391 /nfs/dbraw/zinc/79/33/91/368793391.db2.gz VHJVQOPBXMRZFR-KRWDZBQOSA-N 2 1 274.408 2.013 20 0 CEADMP CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC)[NH+](CC)CC ZINC000346965911 368794729 /nfs/dbraw/zinc/79/47/29/368794729.db2.gz CCRZQJYGSQUONM-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCN(C)C(=O)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185727821 368849722 /nfs/dbraw/zinc/84/97/22/368849722.db2.gz UNCYOMNJYOFZDJ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCCO1 ZINC000348281196 368982600 /nfs/dbraw/zinc/98/26/00/368982600.db2.gz KJHJULYYXICKNL-KKUMJFAQSA-N 2 1 254.418 2.408 20 0 CEADMP CC[N@@H+](CCC[NH2+][C@H]1CCNC(=O)CC1)C1CCCCC1 ZINC000634984963 369015344 /nfs/dbraw/zinc/01/53/44/369015344.db2.gz HIMHCVJHLOZEID-OAHLLOKOSA-N 2 1 295.471 2.289 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC12CC(C1)C[NH2+]2 ZINC000634992542 369021234 /nfs/dbraw/zinc/02/12/34/369021234.db2.gz SQMIVMODUUQEPR-IPJUCJBFSA-N 2 1 299.462 2.335 20 0 CEADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000634999518 369033898 /nfs/dbraw/zinc/03/38/98/369033898.db2.gz VVQCTBZAVKNPHH-GDBMZVCRSA-N 2 1 298.434 2.422 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1OC ZINC000634999490 369033910 /nfs/dbraw/zinc/03/39/10/369033910.db2.gz VJFFUKOTZMTBOO-CMPLNLGQSA-N 2 1 298.814 2.384 20 0 CEADMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1OC ZINC000634999490 369033912 /nfs/dbraw/zinc/03/39/12/369033912.db2.gz VJFFUKOTZMTBOO-CMPLNLGQSA-N 2 1 298.814 2.384 20 0 CEADMP Cn1ccnc1[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000635011377 369048494 /nfs/dbraw/zinc/04/84/94/369048494.db2.gz NJUWELAAEJEADF-KGLIPLIRSA-N 2 1 276.428 2.239 20 0 CEADMP C[C@@H]1C[C@@H](NCC[C@H]([NH3+])Cc2ccccc2)CC[N@H+]1C ZINC000635004668 369039931 /nfs/dbraw/zinc/03/99/31/369039931.db2.gz FWUMICKMWNQIRT-PVAVHDDUSA-N 2 1 275.440 2.019 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(CO)c2ccccc2)[C@H](C)C1 ZINC000348288785 368986314 /nfs/dbraw/zinc/98/63/14/368986314.db2.gz KAOUCIWUWBINOH-NJAFHUGGSA-N 2 1 290.451 2.257 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634955992 368988910 /nfs/dbraw/zinc/98/89/10/368988910.db2.gz WCBKALBYEBGTBP-QLFBSQMISA-N 2 1 295.471 2.001 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000348304439 368994102 /nfs/dbraw/zinc/99/41/02/368994102.db2.gz GJAHZIKOVMOUNL-LBPRGKRZSA-N 2 1 261.373 2.320 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C)(CO)CC1 ZINC000186924312 369069871 /nfs/dbraw/zinc/06/98/71/369069871.db2.gz KHDLTXGIOXGFDR-UHFFFAOYSA-N 2 1 265.401 2.066 20 0 CEADMP C[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000635013200 369051851 /nfs/dbraw/zinc/05/18/51/369051851.db2.gz DDXCSTCHLONMRC-KYOSRNDESA-N 2 1 282.815 2.146 20 0 CEADMP C[NH+]1CCC([NH2+]CC[C@H]2CNc3ccccc32)CC1 ZINC000635020852 369057392 /nfs/dbraw/zinc/05/73/92/369057392.db2.gz MSUFXTJALZGLGL-ZDUSSCGKSA-N 2 1 259.397 2.270 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000348641917 369110159 /nfs/dbraw/zinc/11/01/59/369110159.db2.gz MMUAEQZWLWKSGX-QEJZJMRPSA-N 2 1 275.396 2.368 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000348641917 369110162 /nfs/dbraw/zinc/11/01/62/369110162.db2.gz MMUAEQZWLWKSGX-QEJZJMRPSA-N 2 1 275.396 2.368 20 0 CEADMP COC[C@@H](C)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000187370984 369146470 /nfs/dbraw/zinc/14/64/70/369146470.db2.gz WLNPSDPMNFDYIJ-LSDHHAIUSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(OC(C)C)C1 ZINC000348839764 369176256 /nfs/dbraw/zinc/17/62/56/369176256.db2.gz XSSNHINLIAAJPV-SLTAFYQDSA-N 2 1 254.418 2.406 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(OC(C)C)C1 ZINC000348839764 369176261 /nfs/dbraw/zinc/17/62/61/369176261.db2.gz XSSNHINLIAAJPV-SLTAFYQDSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000187723422 369211006 /nfs/dbraw/zinc/21/10/06/369211006.db2.gz MYUQDEZGABCTOG-UXLLHSPISA-N 2 1 276.424 2.352 20 0 CEADMP C[C@@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000187723422 369211009 /nfs/dbraw/zinc/21/10/09/369211009.db2.gz MYUQDEZGABCTOG-UXLLHSPISA-N 2 1 276.424 2.352 20 0 CEADMP C[C@@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000187723422 369211014 /nfs/dbraw/zinc/21/10/14/369211014.db2.gz MYUQDEZGABCTOG-UXLLHSPISA-N 2 1 276.424 2.352 20 0 CEADMP C[C@@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000187723422 369211019 /nfs/dbraw/zinc/21/10/19/369211019.db2.gz MYUQDEZGABCTOG-UXLLHSPISA-N 2 1 276.424 2.352 20 0 CEADMP COC[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000187816771 369229169 /nfs/dbraw/zinc/22/91/69/369229169.db2.gz BCRSCJNWQYYBCR-AEFFLSMTSA-N 2 1 290.451 2.423 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000349142953 369249955 /nfs/dbraw/zinc/24/99/55/369249955.db2.gz ASZOKGDEHRCTSU-HNNXBMFYSA-N 2 1 296.455 2.239 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000635622748 369253877 /nfs/dbraw/zinc/25/38/77/369253877.db2.gz MBWDOGFNADRGII-HNNXBMFYSA-N 2 1 297.487 2.155 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC000635624902 369255185 /nfs/dbraw/zinc/25/51/85/369255185.db2.gz OUABTPFHIPXPJG-HNNXBMFYSA-N 2 1 297.487 2.155 20 0 CEADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC000635624902 369255192 /nfs/dbraw/zinc/25/51/92/369255192.db2.gz OUABTPFHIPXPJG-HNNXBMFYSA-N 2 1 297.487 2.155 20 0 CEADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000635624902 369255195 /nfs/dbraw/zinc/25/51/95/369255195.db2.gz OUABTPFHIPXPJG-HNNXBMFYSA-N 2 1 297.487 2.155 20 0 CEADMP C[C@H]1CCCC[C@H]1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349298328 369291373 /nfs/dbraw/zinc/29/13/73/369291373.db2.gz PAVRZPRMUMBKNH-IRXDYDNUSA-N 2 1 281.488 2.382 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)CCCn2ccnc2)c(C)n1 ZINC000349366624 369311082 /nfs/dbraw/zinc/31/10/82/369311082.db2.gz JYRZRMTYBQTNPL-UHFFFAOYSA-N 2 1 288.395 2.426 20 0 CEADMP C[C@H]1CC[C@H](C[NH+]2CCC([NH+]3CCCC3)CC2)O1 ZINC000188546245 369373887 /nfs/dbraw/zinc/37/38/87/369373887.db2.gz XMSYDOKNKWPLSF-DZGCQCFKSA-N 2 1 252.402 2.114 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)CC[NH3+])cc1 ZINC000349957344 369464404 /nfs/dbraw/zinc/46/44/04/369464404.db2.gz DDKSLQWQWYLWSQ-CQSZACIVSA-N 2 1 291.439 2.386 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000358248316 370969590 /nfs/dbraw/zinc/96/95/90/370969590.db2.gz GOIHQEAYUOCQMU-BZSNNMDCSA-N 2 1 288.435 2.054 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000358248316 370969596 /nfs/dbraw/zinc/96/95/96/370969596.db2.gz GOIHQEAYUOCQMU-BZSNNMDCSA-N 2 1 288.435 2.054 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2ccccn2)[C@@H](C)C1 ZINC000246449042 370962589 /nfs/dbraw/zinc/96/25/89/370962589.db2.gz PBMYTJDFUNXQQG-GOEBONIOSA-N 2 1 261.413 2.334 20 0 CEADMP CCC[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000246472619 370967126 /nfs/dbraw/zinc/96/71/26/370967126.db2.gz GUVCLTCJSFFZQE-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000246472619 370967133 /nfs/dbraw/zinc/96/71/33/370967133.db2.gz GUVCLTCJSFFZQE-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000350067029 369496975 /nfs/dbraw/zinc/49/69/75/369496975.db2.gz CQGMXTXTJZTGET-NJAFHUGGSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000350067029 369496979 /nfs/dbraw/zinc/49/69/79/369496979.db2.gz CQGMXTXTJZTGET-NJAFHUGGSA-N 2 1 288.435 2.402 20 0 CEADMP CCC[N@H+](C)CC(C)(C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000636230089 369564487 /nfs/dbraw/zinc/56/44/87/369564487.db2.gz XCYCTCMWYSZMLW-UHFFFAOYSA-N 2 1 294.443 2.243 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000636230089 369564491 /nfs/dbraw/zinc/56/44/91/369564491.db2.gz XCYCTCMWYSZMLW-UHFFFAOYSA-N 2 1 294.443 2.243 20 0 CEADMP CC[C@H](C)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000350990939 369592117 /nfs/dbraw/zinc/59/21/17/369592117.db2.gz NYJZHJOCSXTWGT-GBJTYRQASA-N 2 1 254.418 2.216 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000352462199 369742697 /nfs/dbraw/zinc/74/26/97/369742697.db2.gz RFVDENMEXPINJF-KFWWJZLASA-N 2 1 283.460 2.096 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000352503325 369762113 /nfs/dbraw/zinc/76/21/13/369762113.db2.gz FDJRVMWZMXSPKS-INIZCTEOSA-N 2 1 275.396 2.348 20 0 CEADMP Cc1cccc2ncc(C[N@@H+]3CCCC[C@H]3CC[NH3+])n21 ZINC000352527074 369773879 /nfs/dbraw/zinc/77/38/79/369773879.db2.gz VYPHVBTWNOVXTP-AWEZNQCLSA-N 2 1 272.396 2.346 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CCCC[C@H]3CC[NH3+])n21 ZINC000352527074 369773883 /nfs/dbraw/zinc/77/38/83/369773883.db2.gz VYPHVBTWNOVXTP-AWEZNQCLSA-N 2 1 272.396 2.346 20 0 CEADMP Cc1cccc(C[C@@H](CO)[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000191612752 369726937 /nfs/dbraw/zinc/72/69/37/369726937.db2.gz ORXFJUJKDHFCLA-UOVPBQLFSA-N 2 1 290.451 2.217 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192628584 369837374 /nfs/dbraw/zinc/83/73/74/369837374.db2.gz FYGXSZKEWPYIAQ-ALOPSCKCSA-N 2 1 287.407 2.360 20 0 CEADMP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H]1CCCOC1 ZINC000352738899 369862078 /nfs/dbraw/zinc/86/20/78/369862078.db2.gz VFYIQHHLVLMXCW-VXGBXAGGSA-N 2 1 283.441 2.109 20 0 CEADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352744185 369864756 /nfs/dbraw/zinc/86/47/56/369864756.db2.gz YYKOWXRJPMVRRG-TZMCWYRMSA-N 2 1 297.468 2.498 20 0 CEADMP CC[C@@H](C)[N@H+](C)CCNCc1ncc(C[NH+](C)C)s1 ZINC000352814041 369891484 /nfs/dbraw/zinc/89/14/84/369891484.db2.gz KBMORBRENKDJBX-GFCCVEGCSA-N 2 1 284.473 2.025 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNCc1ncc(C[NH+](C)C)s1 ZINC000352814041 369891486 /nfs/dbraw/zinc/89/14/86/369891486.db2.gz KBMORBRENKDJBX-GFCCVEGCSA-N 2 1 284.473 2.025 20 0 CEADMP Cc1cn[nH]c1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000352824399 369898240 /nfs/dbraw/zinc/89/82/40/369898240.db2.gz QCEYALQKJVRWTH-ZDUSSCGKSA-N 2 1 264.417 2.320 20 0 CEADMP Cc1c[nH]nc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000352824399 369898243 /nfs/dbraw/zinc/89/82/43/369898243.db2.gz QCEYALQKJVRWTH-ZDUSSCGKSA-N 2 1 264.417 2.320 20 0 CEADMP Cc1c[nH]nc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000352824399 369898247 /nfs/dbraw/zinc/89/82/47/369898247.db2.gz QCEYALQKJVRWTH-ZDUSSCGKSA-N 2 1 264.417 2.320 20 0 CEADMP C=Cn1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000194339995 370028147 /nfs/dbraw/zinc/02/81/47/370028147.db2.gz YJQQYGRVINRXPS-CQSZACIVSA-N 2 1 262.401 2.338 20 0 CEADMP C=Cn1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000194339995 370028155 /nfs/dbraw/zinc/02/81/55/370028155.db2.gz YJQQYGRVINRXPS-CQSZACIVSA-N 2 1 262.401 2.338 20 0 CEADMP C=Cn1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC000194350587 370030003 /nfs/dbraw/zinc/03/00/03/370030003.db2.gz KNCHNEDXIGWJJX-CQSZACIVSA-N 2 1 262.401 2.195 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000194848566 370079937 /nfs/dbraw/zinc/07/99/37/370079937.db2.gz XLGJQKBISNKRNO-CYBMUJFWSA-N 2 1 266.385 2.011 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000194848566 370079942 /nfs/dbraw/zinc/07/99/42/370079942.db2.gz XLGJQKBISNKRNO-CYBMUJFWSA-N 2 1 266.385 2.011 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000353522387 370114967 /nfs/dbraw/zinc/11/49/67/370114967.db2.gz UJSQVCBUHJSGDZ-LMPOIIKSSA-N 3 1 267.461 2.179 20 0 CEADMP CCN1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000353522387 370114971 /nfs/dbraw/zinc/11/49/71/370114971.db2.gz UJSQVCBUHJSGDZ-LMPOIIKSSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(O)c1 ZINC000194884723 370084647 /nfs/dbraw/zinc/08/46/47/370084647.db2.gz JGHIATBSPSDPBC-OAHLLOKOSA-N 2 1 291.439 2.070 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000353995596 370170045 /nfs/dbraw/zinc/17/00/45/370170045.db2.gz KCWNMRHMBQHFAS-YMAMQOFZSA-N 2 1 282.428 2.182 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000353995596 370170049 /nfs/dbraw/zinc/17/00/49/370170049.db2.gz KCWNMRHMBQHFAS-YMAMQOFZSA-N 2 1 282.428 2.182 20 0 CEADMP Cc1cccc(NCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000353614758 370119230 /nfs/dbraw/zinc/11/92/30/370119230.db2.gz UIOKPHUXJFJBMV-OAGGEKHMSA-N 2 1 288.439 2.264 20 0 CEADMP [NH2+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1CCCC1 ZINC000195522118 370136713 /nfs/dbraw/zinc/13/67/13/370136713.db2.gz CMNMXRLCTQKWSC-CQSZACIVSA-N 2 1 290.411 2.473 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@]2(OC)CCOC2)CC1 ZINC000637905911 370160915 /nfs/dbraw/zinc/16/09/15/370160915.db2.gz OGSWQHOWTRMRFA-QGZVFWFLSA-N 2 1 298.471 2.236 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000354160093 370237992 /nfs/dbraw/zinc/23/79/92/370237992.db2.gz FRYQBXIWRQJFCG-KKUMJFAQSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CCSCC1 ZINC000354178917 370246392 /nfs/dbraw/zinc/24/63/92/370246392.db2.gz BDLHPBRVXLHBII-SMDDNHRTSA-N 2 1 256.459 2.448 20 0 CEADMP C[N@H+](CCO)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000638047792 370266683 /nfs/dbraw/zinc/26/66/83/370266683.db2.gz UBYSLCNOKWREMR-UHFFFAOYSA-N 2 1 299.418 2.123 20 0 CEADMP C[N@@H+](CCO)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000638047792 370266685 /nfs/dbraw/zinc/26/66/85/370266685.db2.gz UBYSLCNOKWREMR-UHFFFAOYSA-N 2 1 299.418 2.123 20 0 CEADMP c1ccc2c(c1)CC([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000223931610 370273638 /nfs/dbraw/zinc/27/36/38/370273638.db2.gz MIGSOOFNXCNGJA-IRXDYDNUSA-N 2 1 256.393 2.370 20 0 CEADMP c1ccc2c(c1)CC([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000223931610 370273647 /nfs/dbraw/zinc/27/36/47/370273647.db2.gz MIGSOOFNXCNGJA-IRXDYDNUSA-N 2 1 256.393 2.370 20 0 CEADMP CC[NH2+][C@H](C)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000638086892 370289256 /nfs/dbraw/zinc/28/92/56/370289256.db2.gz WYNAPYNJUMLCHD-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000354351584 370327086 /nfs/dbraw/zinc/32/70/86/370327086.db2.gz LSEHDELNWSVXTH-KBPBESRZSA-N 2 1 284.444 2.428 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000354349454 370327587 /nfs/dbraw/zinc/32/75/87/370327587.db2.gz SNKCQUBUGZTMSG-GBJTYRQASA-N 2 1 284.444 2.284 20 0 CEADMP CCOC1CC(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000638336112 370453494 /nfs/dbraw/zinc/45/34/94/370453494.db2.gz YHWOZPJMQIRHNA-LRVUVFPRSA-N 2 1 265.401 2.232 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000638358304 370468385 /nfs/dbraw/zinc/46/83/85/370468385.db2.gz BRSMGYWACYTMCW-HIFRSBDPSA-N 2 1 289.423 2.095 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)[C@H]2CC2(F)F)CC1 ZINC000638360130 370469640 /nfs/dbraw/zinc/46/96/40/370469640.db2.gz PLKUWVHTZYQFCG-UONOGXRCSA-N 2 1 289.414 2.037 20 0 CEADMP C[C@@H](C[NH2+]C1CC(n2cccn2)C1)[N@@H+]1CCCC[C@@H]1C ZINC000638360714 370470538 /nfs/dbraw/zinc/47/05/38/370470538.db2.gz KTMHRPNTTOOCBJ-FXQLRMTLSA-N 2 1 276.428 2.439 20 0 CEADMP C[C@@H](C[NH2+]C1CC(n2cccn2)C1)[N@H+]1CCCC[C@@H]1C ZINC000638360714 370470540 /nfs/dbraw/zinc/47/05/40/370470540.db2.gz KTMHRPNTTOOCBJ-FXQLRMTLSA-N 2 1 276.428 2.439 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638364035 370473939 /nfs/dbraw/zinc/47/39/39/370473939.db2.gz VWZRXNVQPFIFMD-QXSJWSMHSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1)[N@H+]1CCC[C@@H](C)C1 ZINC000638364035 370473943 /nfs/dbraw/zinc/47/39/43/370473943.db2.gz VWZRXNVQPFIFMD-QXSJWSMHSA-N 2 1 295.471 2.144 20 0 CEADMP CO[C@@]1(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC000638371230 370479831 /nfs/dbraw/zinc/47/98/31/370479831.db2.gz OYYZRPRQAZXKGJ-IXDOHACOSA-N 2 1 298.471 2.140 20 0 CEADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)CC1(C)COC1 ZINC000354889554 370496436 /nfs/dbraw/zinc/49/64/36/370496436.db2.gz ZQGJRUNDKITMQF-UHFFFAOYSA-N 2 1 289.423 2.266 20 0 CEADMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[NH+]1CCCCC1 ZINC000354888576 370496968 /nfs/dbraw/zinc/49/69/68/370496968.db2.gz RSPPNVXCOYQGNF-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000355202166 370547493 /nfs/dbraw/zinc/54/74/93/370547493.db2.gz BTNMBXMEKMHTNQ-GOEBONIOSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000355202166 370547496 /nfs/dbraw/zinc/54/74/96/370547496.db2.gz BTNMBXMEKMHTNQ-GOEBONIOSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000355202166 370547498 /nfs/dbraw/zinc/54/74/98/370547498.db2.gz BTNMBXMEKMHTNQ-GOEBONIOSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000355202166 370547500 /nfs/dbraw/zinc/54/75/00/370547500.db2.gz BTNMBXMEKMHTNQ-GOEBONIOSA-N 2 1 289.423 2.396 20 0 CEADMP CC[C@@H](C)[C@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)OC ZINC000638557805 370605101 /nfs/dbraw/zinc/60/51/01/370605101.db2.gz SIOLDBREVMZMRE-CVEARBPZSA-N 2 1 298.471 2.282 20 0 CEADMP c1ccc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000358296898 370999404 /nfs/dbraw/zinc/99/94/04/370999404.db2.gz FTVPREZWEPNLAR-HZPDHXFCSA-N 2 1 259.397 2.231 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCSCC(F)(F)F ZINC000358298992 371001067 /nfs/dbraw/zinc/00/10/67/371001067.db2.gz IVNAKHGEBYAICQ-NXEZZACHSA-N 2 1 270.364 2.212 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236712099 370612808 /nfs/dbraw/zinc/61/28/08/370612808.db2.gz GARHXVLUTACXLW-GOEBONIOSA-N 2 1 291.439 2.171 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC[C@H]1CCO1 ZINC000639175327 371049935 /nfs/dbraw/zinc/04/99/35/371049935.db2.gz MYVGAOZFDPYKGI-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC[C@H]1CCO1 ZINC000639175327 371049940 /nfs/dbraw/zinc/04/99/40/371049940.db2.gz MYVGAOZFDPYKGI-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246871698 371023846 /nfs/dbraw/zinc/02/38/46/371023846.db2.gz DLZIAVFBTHKXNB-BQJWPVKWSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246871698 371023851 /nfs/dbraw/zinc/02/38/51/371023851.db2.gz DLZIAVFBTHKXNB-BQJWPVKWSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246871698 371023856 /nfs/dbraw/zinc/02/38/56/371023856.db2.gz DLZIAVFBTHKXNB-BQJWPVKWSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](O)Cc1ccccc1 ZINC000358341468 371023902 /nfs/dbraw/zinc/02/39/02/371023902.db2.gz NVCNPWJHXHITCZ-XOYOTBSWSA-N 2 1 288.435 2.195 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCO2)[C@H](C)C1 ZINC000246890807 371027606 /nfs/dbraw/zinc/02/76/06/371027606.db2.gz FKHHTNRRBICYEA-ZACQAIPSSA-N 2 1 298.471 2.282 20 0 CEADMP Cc1n[nH]cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246903184 371028523 /nfs/dbraw/zinc/02/85/23/371028523.db2.gz ULOOUVKUMDSQGR-BBRMVZONSA-N 2 1 274.412 2.167 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000246943178 371034323 /nfs/dbraw/zinc/03/43/23/371034323.db2.gz QVTPEKALTQIBIK-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP COc1cc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccn1 ZINC000639170582 371042399 /nfs/dbraw/zinc/04/23/99/371042399.db2.gz VGTRNVIZURBZNO-GOEBONIOSA-N 2 1 291.439 2.341 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21)OC ZINC000639178137 371057128 /nfs/dbraw/zinc/05/71/28/371057128.db2.gz IPYUOTZERPLUSB-VGWMRTNUSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21)OC ZINC000639178137 371057129 /nfs/dbraw/zinc/05/71/29/371057129.db2.gz IPYUOTZERPLUSB-VGWMRTNUSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)OC ZINC000639178137 371057134 /nfs/dbraw/zinc/05/71/34/371057134.db2.gz IPYUOTZERPLUSB-VGWMRTNUSA-N 2 1 268.445 2.464 20 0 CEADMP COc1cncc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1C ZINC000639180821 371060545 /nfs/dbraw/zinc/06/05/45/371060545.db2.gz ZDYFJWDERPFUKC-GOEBONIOSA-N 2 1 289.423 2.315 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000639188043 371069122 /nfs/dbraw/zinc/06/91/22/371069122.db2.gz HKWFVMUBRKAPCW-AWEZNQCLSA-N 2 1 266.433 2.063 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000639188043 371069124 /nfs/dbraw/zinc/06/91/24/371069124.db2.gz HKWFVMUBRKAPCW-AWEZNQCLSA-N 2 1 266.433 2.063 20 0 CEADMP Cc1nn(C)cc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358484036 371085016 /nfs/dbraw/zinc/08/50/16/371085016.db2.gz QGZOMARKTXLABZ-HIFRSBDPSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1nn(C)cc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358484036 371085021 /nfs/dbraw/zinc/08/50/21/371085021.db2.gz QGZOMARKTXLABZ-HIFRSBDPSA-N 2 1 290.455 2.471 20 0 CEADMP CO[C@H](C)c1nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000358502989 371095244 /nfs/dbraw/zinc/09/52/44/371095244.db2.gz DFAHJYBHAZVIES-GFCCVEGCSA-N 2 1 295.452 2.426 20 0 CEADMP CO[C@H](C)c1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000358502989 371095252 /nfs/dbraw/zinc/09/52/52/371095252.db2.gz DFAHJYBHAZVIES-GFCCVEGCSA-N 2 1 295.452 2.426 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cccc(F)c1N)C1CC1 ZINC000639243592 371139705 /nfs/dbraw/zinc/13/97/05/371139705.db2.gz BQDOWJOSFNBNNR-UHFFFAOYSA-N 2 1 265.376 2.372 20 0 CEADMP CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1cccc(F)c1N ZINC000639302217 371206223 /nfs/dbraw/zinc/20/62/23/371206223.db2.gz DZQHUVAOPTZFJZ-GFCCVEGCSA-N 2 1 265.376 2.370 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1CNCc1cccc(F)c1N ZINC000639302217 371206226 /nfs/dbraw/zinc/20/62/26/371206226.db2.gz DZQHUVAOPTZFJZ-GFCCVEGCSA-N 2 1 265.376 2.370 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)CCc2ccccc2)CCN1C ZINC000248541511 371207614 /nfs/dbraw/zinc/20/76/14/371207614.db2.gz BPZIBBYHYMRGJO-NXHRZFHOSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CCc2ccccc2)CC[N@@H+]1C ZINC000248541511 371207622 /nfs/dbraw/zinc/20/76/22/371207622.db2.gz BPZIBBYHYMRGJO-NXHRZFHOSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CCc2ccccc2)CC[N@H+]1C ZINC000248541511 371207626 /nfs/dbraw/zinc/20/76/26/371207626.db2.gz BPZIBBYHYMRGJO-NXHRZFHOSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CCc2ccccc2)CC[NH+]1C ZINC000248541511 371207631 /nfs/dbraw/zinc/20/76/31/371207631.db2.gz BPZIBBYHYMRGJO-NXHRZFHOSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)CCc2ccccc2)CC[NH+]1C ZINC000248541511 371207635 /nfs/dbraw/zinc/20/76/35/371207635.db2.gz BPZIBBYHYMRGJO-NXHRZFHOSA-N 2 1 290.451 2.395 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)[C@@H](C)C1 ZINC000248791776 371245818 /nfs/dbraw/zinc/24/58/18/371245818.db2.gz IVVQAFJQTZYUSR-UKMLZYKCSA-N 2 1 266.429 2.264 20 0 CEADMP C1=CO[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000249060178 371288742 /nfs/dbraw/zinc/28/87/42/371288742.db2.gz ZRVGMFYXDXFZKD-HZPDHXFCSA-N 2 1 264.413 2.487 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000639494675 371361012 /nfs/dbraw/zinc/36/10/12/371361012.db2.gz KFLNUFXBJQNGJQ-GJZGRUSLSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000252844263 371482895 /nfs/dbraw/zinc/48/28/95/371482895.db2.gz DNYXPHNCLKBQJK-DRZSPHRISA-N 2 1 251.399 2.011 20 0 CEADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000252844263 371482901 /nfs/dbraw/zinc/48/29/01/371482901.db2.gz DNYXPHNCLKBQJK-DRZSPHRISA-N 2 1 251.399 2.011 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000252127260 371432096 /nfs/dbraw/zinc/43/20/96/371432096.db2.gz LOFKQHDQVFWKFA-NQNKBUKLSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCN1C ZINC000252127260 371432100 /nfs/dbraw/zinc/43/21/00/371432100.db2.gz LOFKQHDQVFWKFA-NQNKBUKLSA-N 3 1 279.472 2.370 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000252127260 371432103 /nfs/dbraw/zinc/43/21/03/371432103.db2.gz LOFKQHDQVFWKFA-NQNKBUKLSA-N 3 1 279.472 2.370 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000252127260 371432109 /nfs/dbraw/zinc/43/21/09/371432109.db2.gz LOFKQHDQVFWKFA-NQNKBUKLSA-N 3 1 279.472 2.370 20 0 CEADMP CC1=CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639624097 371450900 /nfs/dbraw/zinc/45/09/00/371450900.db2.gz OOMBXKMNSDUDAE-SFHVURJKSA-N 2 1 286.419 2.275 20 0 CEADMP CC1=CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639624097 371450901 /nfs/dbraw/zinc/45/09/01/371450901.db2.gz OOMBXKMNSDUDAE-SFHVURJKSA-N 2 1 286.419 2.275 20 0 CEADMP CC1=CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639624097 371450902 /nfs/dbraw/zinc/45/09/02/371450902.db2.gz OOMBXKMNSDUDAE-SFHVURJKSA-N 2 1 286.419 2.275 20 0 CEADMP CC1=CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639624097 371450903 /nfs/dbraw/zinc/45/09/03/371450903.db2.gz OOMBXKMNSDUDAE-SFHVURJKSA-N 2 1 286.419 2.275 20 0 CEADMP CC(C)CC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252564620 371456823 /nfs/dbraw/zinc/45/68/23/371456823.db2.gz YDJGSABANQEUOU-SOUVJXGZSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)CC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252564620 371456830 /nfs/dbraw/zinc/45/68/30/371456830.db2.gz YDJGSABANQEUOU-SOUVJXGZSA-N 2 1 254.418 2.264 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CC(C)(C)CO3)C2)C1 ZINC000639657108 371473371 /nfs/dbraw/zinc/47/33/71/371473371.db2.gz VRLVXKNRWGIGFM-GDBMZVCRSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3CC(C)(C)CO3)C2)C1 ZINC000639657108 371473378 /nfs/dbraw/zinc/47/33/78/371473378.db2.gz VRLVXKNRWGIGFM-GDBMZVCRSA-N 2 1 266.429 2.219 20 0 CEADMP COc1ccnc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639682958 371491884 /nfs/dbraw/zinc/49/18/84/371491884.db2.gz NPZHWUAWJJCWKH-UHFFFAOYSA-N 2 1 298.390 2.198 20 0 CEADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(OC)c1 ZINC000252840970 371482460 /nfs/dbraw/zinc/48/24/60/371482460.db2.gz BVEACBZUTNMWKH-RRQGHBQHSA-N 2 1 290.407 2.263 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(OC)c1 ZINC000253194082 371501539 /nfs/dbraw/zinc/50/15/39/371501539.db2.gz PLWJVSJEOHYENA-GXTWGEPZSA-N 2 1 278.396 2.121 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(OC)c1 ZINC000253194082 371501546 /nfs/dbraw/zinc/50/15/46/371501546.db2.gz PLWJVSJEOHYENA-GXTWGEPZSA-N 2 1 278.396 2.121 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639702885 371507455 /nfs/dbraw/zinc/50/74/55/371507455.db2.gz FUEZVCBHBHXNFR-INIZCTEOSA-N 3 1 288.439 2.078 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639702885 371507457 /nfs/dbraw/zinc/50/74/57/371507457.db2.gz FUEZVCBHBHXNFR-INIZCTEOSA-N 3 1 288.439 2.078 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639702885 371507461 /nfs/dbraw/zinc/50/74/61/371507461.db2.gz FUEZVCBHBHXNFR-INIZCTEOSA-N 3 1 288.439 2.078 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639702885 371507464 /nfs/dbraw/zinc/50/74/64/371507464.db2.gz FUEZVCBHBHXNFR-INIZCTEOSA-N 3 1 288.439 2.078 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639702885 371507467 /nfs/dbraw/zinc/50/74/67/371507467.db2.gz FUEZVCBHBHXNFR-INIZCTEOSA-N 3 1 288.439 2.078 20 0 CEADMP CC[N@@H+]1[C@H](C)CN(CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000639741797 371526402 /nfs/dbraw/zinc/52/64/02/371526402.db2.gz DFJMYRLRLYSKCJ-IYBDPMFKSA-N 2 1 267.461 2.133 20 0 CEADMP CC[NH+](CC)CCCN1C[C@@H](C)[N@H+](CC)[C@@H](C)C1 ZINC000639743698 371530853 /nfs/dbraw/zinc/53/08/53/371530853.db2.gz SYHBPWUDFYNCTP-GASCZTMLSA-N 2 1 255.450 2.133 20 0 CEADMP c1cc(N2CCC[N@H+](CCC3CCOCC3)CC2)cc[nH+]1 ZINC000639683159 371492598 /nfs/dbraw/zinc/49/25/98/371492598.db2.gz HPYLEDJQUDBOBN-UHFFFAOYSA-N 2 1 289.423 2.410 20 0 CEADMP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc2c1CCC2 ZINC000261603681 371673676 /nfs/dbraw/zinc/67/36/76/371673676.db2.gz QWPJTADXMUDCHF-IRXDYDNUSA-N 2 1 256.393 2.217 20 0 CEADMP C[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)[N@@H+](C)C1CC1 ZINC000261567676 371651959 /nfs/dbraw/zinc/65/19/59/371651959.db2.gz IICSBQWUUZQNMU-RLCCDNCMSA-N 2 1 259.397 2.204 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000639904596 371660031 /nfs/dbraw/zinc/66/00/31/371660031.db2.gz ULIOXPUKNPCOEY-GVDBMIGSSA-N 2 1 276.424 2.225 20 0 CEADMP c1ccc(SCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261584899 371662311 /nfs/dbraw/zinc/66/23/11/371662311.db2.gz SPWHCKKEOHLTOF-ZIAGYGMSSA-N 2 1 262.422 2.320 20 0 CEADMP C[C@H]1C[C@H](N(C)Cc2cn(C)nc2C(F)F)CC[N@H+]1C ZINC000361186992 371704298 /nfs/dbraw/zinc/70/42/98/371704298.db2.gz NQDGCKPZIHVKQK-CMPLNLGQSA-N 2 1 286.370 2.272 20 0 CEADMP C[C@@H]1C[C@H](N(C)Cc2cn(C)nc2C(F)F)CC[N@H+]1C ZINC000361186995 371704453 /nfs/dbraw/zinc/70/44/53/371704453.db2.gz NQDGCKPZIHVKQK-ZYHUDNBSSA-N 2 1 286.370 2.272 20 0 CEADMP COc1ccccc1/C=C/C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261705211 371706668 /nfs/dbraw/zinc/70/66/68/371706668.db2.gz IHWPBCSKULEMBX-BIENSFFJSA-N 2 1 260.381 2.379 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261705211 371706673 /nfs/dbraw/zinc/70/66/73/371706673.db2.gz IHWPBCSKULEMBX-BIENSFFJSA-N 2 1 260.381 2.379 20 0 CEADMP CCc1cc(OC)ccc1C[NH+]1CCC([NH2+]C)CC1 ZINC000261811335 371739187 /nfs/dbraw/zinc/73/91/87/371739187.db2.gz HRBOBYGZAYOIIL-UHFFFAOYSA-N 2 1 262.397 2.441 20 0 CEADMP CCC1([NH+]2CCCC2)CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000639987110 371715342 /nfs/dbraw/zinc/71/53/42/371715342.db2.gz WOXITDBCVQRQAW-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP c1ccc2nc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000261760824 371721432 /nfs/dbraw/zinc/72/14/32/371721432.db2.gz NQNMELUUNOJHDW-CABCVRRESA-N 2 1 267.376 2.276 20 0 CEADMP c1ccc2nc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000261760824 371721436 /nfs/dbraw/zinc/72/14/36/371721436.db2.gz NQNMELUUNOJHDW-CABCVRRESA-N 2 1 267.376 2.276 20 0 CEADMP CC(C)([NH3+])CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000261810045 371740547 /nfs/dbraw/zinc/74/05/47/371740547.db2.gz PSUFLWCLNVBWIO-ZDUSSCGKSA-N 3 1 276.428 2.136 20 0 CEADMP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC[NH2+]CC1 ZINC000261791416 371734143 /nfs/dbraw/zinc/73/41/43/371734143.db2.gz ONMRCKUEBPTNMU-MQVJKMGUSA-N 2 1 288.439 2.130 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000261804746 371737138 /nfs/dbraw/zinc/73/71/38/371737138.db2.gz WGPQZBSWYDFAFY-CQSZACIVSA-N 2 1 270.323 2.459 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1F ZINC000361156800 371686956 /nfs/dbraw/zinc/68/69/56/371686956.db2.gz TZPPTYNQFDEHIE-IUODEOHRSA-N 2 1 280.387 2.307 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261657563 371694345 /nfs/dbraw/zinc/69/43/45/371694345.db2.gz DUOTXWDKHUBXKG-UKRRQHHQSA-N 2 1 283.460 2.131 20 0 CEADMP CCC[C@]1(C(=O)OCC)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261804133 371738082 /nfs/dbraw/zinc/73/80/82/371738082.db2.gz PHGDAOLGXYDZTN-MRXNPFEDSA-N 2 1 282.428 2.184 20 0 CEADMP CC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000361182533 371701235 /nfs/dbraw/zinc/70/12/35/371701235.db2.gz CKUIPQSNJNCVPV-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)CC[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000361263568 371747469 /nfs/dbraw/zinc/74/74/69/371747469.db2.gz XCUBCOHNAREILC-GJZGRUSLSA-N 2 1 256.434 2.057 20 0 CEADMP CC(C)CC[C@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000361263568 371747471 /nfs/dbraw/zinc/74/74/71/371747471.db2.gz XCUBCOHNAREILC-GJZGRUSLSA-N 2 1 256.434 2.057 20 0 CEADMP CC(C)CC[C@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000361263568 371747478 /nfs/dbraw/zinc/74/74/78/371747478.db2.gz XCUBCOHNAREILC-GJZGRUSLSA-N 2 1 256.434 2.057 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@]2(C)CC[NH2+]C2)C12CCC2 ZINC000261880760 371759477 /nfs/dbraw/zinc/75/94/77/371759477.db2.gz QVWNJFVLHYZFDK-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261900379 371766851 /nfs/dbraw/zinc/76/68/51/371766851.db2.gz VWXJCEGRFPIYLP-CJNGLKHVSA-N 2 1 262.397 2.255 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000361301729 371768962 /nfs/dbraw/zinc/76/89/62/371768962.db2.gz QTWRSLVTZOIZHH-KKUMJFAQSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)CC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000361301729 371768965 /nfs/dbraw/zinc/76/89/65/371768965.db2.gz QTWRSLVTZOIZHH-KKUMJFAQSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)CC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361301729 371768968 /nfs/dbraw/zinc/76/89/68/371768968.db2.gz QTWRSLVTZOIZHH-KKUMJFAQSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)CC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361301729 371768972 /nfs/dbraw/zinc/76/89/72/371768972.db2.gz QTWRSLVTZOIZHH-KKUMJFAQSA-N 2 1 256.434 2.198 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)CC[NH2+]C1 ZINC000261933858 371776649 /nfs/dbraw/zinc/77/66/49/371776649.db2.gz CZNLHXZFDWXTTO-NVXWUHKLSA-N 2 1 284.407 2.283 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000361409462 371832928 /nfs/dbraw/zinc/83/29/28/371832928.db2.gz VSFHTLMTSWLREJ-HNNXBMFYSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C(C)C)[C@H]1CCOC1 ZINC000361409462 371832935 /nfs/dbraw/zinc/83/29/35/371832935.db2.gz VSFHTLMTSWLREJ-HNNXBMFYSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)c(C)n1 ZINC000344036419 217023644 /nfs/dbraw/zinc/02/36/44/217023644.db2.gz SUISKTATMNRVBD-UHFFFAOYSA-N 2 1 292.471 2.014 20 0 CEADMP c1nc(C2CC2)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000262006877 371797794 /nfs/dbraw/zinc/79/77/94/371797794.db2.gz LYNHUVHTFFJIAT-CQSZACIVSA-N 2 1 263.410 2.206 20 0 CEADMP c1nc(C2CC2)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000262006877 371797795 /nfs/dbraw/zinc/79/77/95/371797795.db2.gz LYNHUVHTFFJIAT-CQSZACIVSA-N 2 1 263.410 2.206 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000262050315 371812594 /nfs/dbraw/zinc/81/25/94/371812594.db2.gz ZOLDLJSTBYZNFJ-WDEREUQCSA-N 2 1 276.409 2.307 20 0 CEADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000361478802 371867041 /nfs/dbraw/zinc/86/70/41/371867041.db2.gz OYNFUQBOKGISPB-RBSFLKMASA-N 2 1 291.464 2.410 20 0 CEADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000361478802 371867045 /nfs/dbraw/zinc/86/70/45/371867045.db2.gz OYNFUQBOKGISPB-RBSFLKMASA-N 2 1 291.464 2.410 20 0 CEADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000361478802 371867051 /nfs/dbraw/zinc/86/70/51/371867051.db2.gz OYNFUQBOKGISPB-RBSFLKMASA-N 2 1 291.464 2.410 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000262696616 371896849 /nfs/dbraw/zinc/89/68/49/371896849.db2.gz DXNWAAWNHVNRSG-RRFJBIMHSA-N 2 1 283.460 2.131 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2(OC)CCCC2)C1 ZINC000361570495 371934153 /nfs/dbraw/zinc/93/41/53/371934153.db2.gz CTLFCQQBFYJOKR-MRXNPFEDSA-N 2 1 298.471 2.378 20 0 CEADMP CC(C)NC(=O)CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531363 372021423 /nfs/dbraw/zinc/02/14/23/372021423.db2.gz OKTXKPZJGKEOSD-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP CCn1nnc(C)c1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534737 372023748 /nfs/dbraw/zinc/02/37/48/372023748.db2.gz UCTVVPWOPJHUAC-UHFFFAOYSA-N 2 1 293.459 2.304 20 0 CEADMP CCn1nnc(C)c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534737 372023760 /nfs/dbraw/zinc/02/37/60/372023760.db2.gz UCTVVPWOPJHUAC-UHFFFAOYSA-N 2 1 293.459 2.304 20 0 CEADMP Cn1cncc1CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533371 372024636 /nfs/dbraw/zinc/02/46/36/372024636.db2.gz GPBRGTFCMPNMER-UHFFFAOYSA-N 2 1 278.444 2.161 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000344158714 217078932 /nfs/dbraw/zinc/07/89/32/217078932.db2.gz CMGMQJNJANWSCZ-KFWWJZLASA-N 2 1 275.396 2.129 20 0 CEADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000361879623 372110788 /nfs/dbraw/zinc/11/07/88/372110788.db2.gz INCDZDONOLBRQI-QZTJIDSGSA-N 2 1 288.435 2.402 20 0 CEADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000361879623 372110797 /nfs/dbraw/zinc/11/07/97/372110797.db2.gz INCDZDONOLBRQI-QZTJIDSGSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000361803648 372080255 /nfs/dbraw/zinc/08/02/55/372080255.db2.gz HWIVPNMRJZLRGD-CHWSQXEVSA-N 2 1 270.417 2.038 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)CC[N@H+]1C ZINC000361810513 372081172 /nfs/dbraw/zinc/08/11/72/372081172.db2.gz FJDZOYXURCAZBF-KGLIPLIRSA-N 2 1 254.418 2.002 20 0 CEADMP CCOC(=O)C1(C)CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000361995198 372164224 /nfs/dbraw/zinc/16/42/24/372164224.db2.gz GTEOVVMIQDRACB-UHFFFAOYSA-N 2 1 282.428 2.138 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2cn3ccc(C)cc3n2)[C@H](C)C1 ZINC000268824459 372241447 /nfs/dbraw/zinc/24/14/47/372241447.db2.gz AWBBCIAZKCSIJL-ZBFHGGJFSA-N 2 1 286.423 2.463 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)c1ccccc1F ZINC000268789988 372223926 /nfs/dbraw/zinc/22/39/26/372223926.db2.gz LSCLBOIMLSDFDE-AVRGHOLYSA-N 2 1 280.387 2.177 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)CO)cc1 ZINC000268802220 372228703 /nfs/dbraw/zinc/22/87/03/372228703.db2.gz BKDMJNGIPPQVPT-NEPJUHHUSA-N 2 1 259.353 2.212 20 0 CEADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000268800157 372228853 /nfs/dbraw/zinc/22/88/53/372228853.db2.gz AVYGBWKGSKREBT-CHWSQXEVSA-N 2 1 268.426 2.164 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(F)c1 ZINC000268803312 372230442 /nfs/dbraw/zinc/23/04/42/372230442.db2.gz BTQAPGABTLBFAV-CYBMUJFWSA-N 2 1 280.387 2.323 20 0 CEADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000268808804 372234452 /nfs/dbraw/zinc/23/44/52/372234452.db2.gz DHUNESOFQGCYMF-DOTOQJQBSA-N 2 1 276.424 2.411 20 0 CEADMP COc1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000268923246 372289237 /nfs/dbraw/zinc/28/92/37/372289237.db2.gz PHQYSYQERVGPAJ-BQGCOEIASA-N 2 1 292.423 2.047 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)CC[N@H+]1C ZINC000268864386 372260279 /nfs/dbraw/zinc/26/02/79/372260279.db2.gz SGOBMKCHDHZHDI-NVXWUHKLSA-N 2 1 298.434 2.487 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCC[C@@H]2C)C[C@@H]1C ZINC000362182157 372260318 /nfs/dbraw/zinc/26/03/18/372260318.db2.gz BSVPPQDHAHWGQC-JYJNAYRXSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N2CCC[C@@H]2C)C[C@@H]1C ZINC000362182157 372260325 /nfs/dbraw/zinc/26/03/25/372260325.db2.gz BSVPPQDHAHWGQC-JYJNAYRXSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N2CCC[C@@H]2C)C[C@@H]1C ZINC000362182157 372260333 /nfs/dbraw/zinc/26/03/33/372260333.db2.gz BSVPPQDHAHWGQC-JYJNAYRXSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@](C)(CC)C2)CC1 ZINC000362391625 372345914 /nfs/dbraw/zinc/34/59/14/372345914.db2.gz SHJZNLIBASTNHN-NVXWUHKLSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@](C)(CC)C2)CC1 ZINC000362391625 372345920 /nfs/dbraw/zinc/34/59/20/372345920.db2.gz SHJZNLIBASTNHN-NVXWUHKLSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000269182824 372368153 /nfs/dbraw/zinc/36/81/53/372368153.db2.gz AHWWTAYTFRJSET-HOCLYGCPSA-N 2 1 291.439 2.141 20 0 CEADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000269928236 372603158 /nfs/dbraw/zinc/60/31/58/372603158.db2.gz CIDREFXOHGQNLV-YDHLFZDLSA-N 2 1 280.437 2.172 20 0 CEADMP C[C@H]([NH2+]Cc1ccncc1N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000641747566 372680668 /nfs/dbraw/zinc/68/06/68/372680668.db2.gz LGUJASZUXHFCDL-ZFWWWQNUSA-N 2 1 288.439 2.406 20 0 CEADMP C[C@H]([NH2+]Cc1ccncc1N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000641747566 372680676 /nfs/dbraw/zinc/68/06/76/372680676.db2.gz LGUJASZUXHFCDL-ZFWWWQNUSA-N 2 1 288.439 2.406 20 0 CEADMP C[C@H]1[C@@H](NCc2ccncc2N)CC[N@@H+]1Cc1ccccc1 ZINC000641754797 372689945 /nfs/dbraw/zinc/68/99/45/372689945.db2.gz TYKGRLBMZCSXGL-KSSFIOAISA-N 2 1 296.418 2.416 20 0 CEADMP C[C@H]1[C@@H](NCc2ccncc2N)CC[N@H+]1Cc1ccccc1 ZINC000641754797 372689951 /nfs/dbraw/zinc/68/99/51/372689951.db2.gz TYKGRLBMZCSXGL-KSSFIOAISA-N 2 1 296.418 2.416 20 0 CEADMP CN(C)C(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000364208360 372693045 /nfs/dbraw/zinc/69/30/45/372693045.db2.gz RLFOKCFKSAGJPM-TZMCWYRMSA-N 2 1 294.830 2.419 20 0 CEADMP C[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000364324318 372726198 /nfs/dbraw/zinc/72/61/98/372726198.db2.gz MHAZDCBBTBERAW-SZMVWBNQSA-N 2 1 288.435 2.318 20 0 CEADMP C[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000364324318 372726211 /nfs/dbraw/zinc/72/62/11/372726211.db2.gz MHAZDCBBTBERAW-SZMVWBNQSA-N 2 1 288.435 2.318 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000641798939 372740000 /nfs/dbraw/zinc/74/00/00/372740000.db2.gz QZXSFVPEDKFJIF-MWLCHTKSSA-N 2 1 284.306 2.177 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000641798730 372740375 /nfs/dbraw/zinc/74/03/75/372740375.db2.gz HRMGZFYAZHSXKZ-WCQYABFASA-N 2 1 265.401 2.352 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000641798730 372740377 /nfs/dbraw/zinc/74/03/77/372740377.db2.gz HRMGZFYAZHSXKZ-WCQYABFASA-N 2 1 265.401 2.352 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000641798937 372740683 /nfs/dbraw/zinc/74/06/83/372740683.db2.gz QZXSFVPEDKFJIF-GXSJLCMTSA-N 2 1 284.306 2.177 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccncc2)[C@@H]2CCC[C@@H]21 ZINC000353419842 220073223 /nfs/dbraw/zinc/07/32/23/220073223.db2.gz CXBKTDDBXDPRFT-JYJNAYRXSA-N 2 1 259.397 2.087 20 0 CEADMP C([C@@H]1CCOC1)N1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000364626465 372775609 /nfs/dbraw/zinc/77/56/09/372775609.db2.gz XAYDATYRXPLTCB-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C([C@H]1CCOC1)N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000364626466 372775654 /nfs/dbraw/zinc/77/56/54/372775654.db2.gz XAYDATYRXPLTCB-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000270588267 372856761 /nfs/dbraw/zinc/85/67/61/372856761.db2.gz DSSJYOBGUFWICE-HNNXBMFYSA-N 2 1 286.379 2.130 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000270588267 372856768 /nfs/dbraw/zinc/85/67/68/372856768.db2.gz DSSJYOBGUFWICE-HNNXBMFYSA-N 2 1 286.379 2.130 20 0 CEADMP Cc1cc(NC(=O)NC2CCC([NH3+])CC2)cn2cc[nH+]c12 ZINC000333284706 205182810 /nfs/dbraw/zinc/18/28/10/205182810.db2.gz IDADIUBLBBXTKR-UHFFFAOYSA-N 2 1 287.367 2.034 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC000365624514 372908828 /nfs/dbraw/zinc/90/88/28/372908828.db2.gz SXACZAMMIPRBDB-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000365624514 372908836 /nfs/dbraw/zinc/90/88/36/372908836.db2.gz SXACZAMMIPRBDB-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000365624514 372908842 /nfs/dbraw/zinc/90/88/42/372908842.db2.gz SXACZAMMIPRBDB-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP C([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CCSC1 ZINC000365973947 372969642 /nfs/dbraw/zinc/96/96/42/372969642.db2.gz WYILTOZOXZICRE-HNNXBMFYSA-N 2 1 298.496 2.364 20 0 CEADMP Cc1ncsc1C[N@H+](C)CCn1cc[nH+]c1C ZINC000270838319 372976710 /nfs/dbraw/zinc/97/67/10/372976710.db2.gz FJLSKCIBHZNJFC-UHFFFAOYSA-N 2 1 250.371 2.088 20 0 CEADMP Cc1ncsc1C[N@@H+](C)CCn1cc[nH+]c1C ZINC000270838319 372976713 /nfs/dbraw/zinc/97/67/13/372976713.db2.gz FJLSKCIBHZNJFC-UHFFFAOYSA-N 2 1 250.371 2.088 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(c3nc(C)no3)CC2)C1 ZINC000366475434 373061786 /nfs/dbraw/zinc/06/17/86/373061786.db2.gz PSYFWVQEWJATLI-WLYUNCDWSA-N 2 1 292.427 2.336 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366484117 373065284 /nfs/dbraw/zinc/06/52/84/373065284.db2.gz RYHDGBXDYRFRNS-QGZVFWFLSA-N 2 1 296.455 2.384 20 0 CEADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccncc1 ZINC000271039474 373085809 /nfs/dbraw/zinc/08/58/09/373085809.db2.gz SPEIGRYGPUGMLY-UHFFFAOYSA-N 2 1 258.369 2.499 20 0 CEADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccncc1 ZINC000271039474 373085812 /nfs/dbraw/zinc/08/58/12/373085812.db2.gz SPEIGRYGPUGMLY-UHFFFAOYSA-N 2 1 258.369 2.499 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)nc1 ZINC000643427635 373115107 /nfs/dbraw/zinc/11/51/07/373115107.db2.gz GJWBWYKIVFBLFX-MCIONIFRSA-N 2 1 277.412 2.286 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)nc1 ZINC000643427635 373115113 /nfs/dbraw/zinc/11/51/13/373115113.db2.gz GJWBWYKIVFBLFX-MCIONIFRSA-N 2 1 277.412 2.286 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1ccnn1C ZINC000643484230 373150524 /nfs/dbraw/zinc/15/05/24/373150524.db2.gz JXFBIRNJTWEVOB-KFWWJZLASA-N 2 1 278.444 2.280 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCC1 ZINC000367638639 373171922 /nfs/dbraw/zinc/17/19/22/373171922.db2.gz PLPLOENLDBAPBM-MJBXVCDLSA-N 2 1 252.402 2.018 20 0 CEADMP COC(=O)[C@H](CC(C)C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367530194 373160121 /nfs/dbraw/zinc/16/01/21/373160121.db2.gz BEVDACKLAMNBTN-HNNXBMFYSA-N 2 1 296.455 2.382 20 0 CEADMP C[C@H]([NH2+][C@H]1CCCc2cccnc21)[C@H]1CCC[NH2+]C1 ZINC000643503459 373162449 /nfs/dbraw/zinc/16/24/49/373162449.db2.gz BFRDNBGWAQNKMK-QEJZJMRPSA-N 2 1 259.397 2.437 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000367617233 373167617 /nfs/dbraw/zinc/16/76/17/373167617.db2.gz QCUHQHZQDXQWBZ-BZPMIXESSA-N 2 1 262.401 2.250 20 0 CEADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367613528 373167909 /nfs/dbraw/zinc/16/79/09/373167909.db2.gz FVGWGFVTZCYLAG-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000643455602 373125700 /nfs/dbraw/zinc/12/57/00/373125700.db2.gz CKIOGHIDROYNLA-QWHCGFSZSA-N 2 1 262.353 2.165 20 0 CEADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000643457642 373126878 /nfs/dbraw/zinc/12/68/78/373126878.db2.gz SKSFMALSINGNHC-DOTOQJQBSA-N 2 1 287.451 2.096 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000643457642 373126890 /nfs/dbraw/zinc/12/68/90/373126890.db2.gz SKSFMALSINGNHC-DOTOQJQBSA-N 3 1 287.451 2.096 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000643457642 373126899 /nfs/dbraw/zinc/12/68/99/373126899.db2.gz SKSFMALSINGNHC-DOTOQJQBSA-N 3 1 287.451 2.096 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccncc1 ZINC000643460236 373131028 /nfs/dbraw/zinc/13/10/28/373131028.db2.gz DEZNRLUIIOKDIX-NEPJUHHUSA-N 2 1 256.353 2.343 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000643525980 373182762 /nfs/dbraw/zinc/18/27/62/373182762.db2.gz LHTCVERUZGWMBL-IUCAKERBSA-N 2 1 257.175 2.447 20 0 CEADMP CO[C@@H](C)C[NH+]1CCCC2(CCC[N@H+](C[C@H](C)OC)C2)C1 ZINC000368244202 373229263 /nfs/dbraw/zinc/22/92/63/373229263.db2.gz RJHKTZUNQVVEJZ-PYNWJHIZSA-N 2 1 298.471 2.234 20 0 CEADMP C[C@]1(C[NH2+][C@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000369184297 373352888 /nfs/dbraw/zinc/35/28/88/373352888.db2.gz PWPWNKLHRUKLOT-DLBZAZTESA-N 2 1 274.408 2.277 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353609627 220187680 /nfs/dbraw/zinc/18/76/80/220187680.db2.gz UGLAEORTBYJYLS-LYYZXLFJSA-N 2 1 294.439 2.181 20 0 CEADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353629862 220207220 /nfs/dbraw/zinc/20/72/20/220207220.db2.gz GGBIDPNHIDUQSW-BBWFWOEESA-N 2 1 273.424 2.395 20 0 CEADMP CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644661498 373590380 /nfs/dbraw/zinc/59/03/80/373590380.db2.gz LESYOVAXVNJCDL-KSZLIROESA-N 2 1 290.451 2.361 20 0 CEADMP CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644661498 373590391 /nfs/dbraw/zinc/59/03/91/373590391.db2.gz LESYOVAXVNJCDL-KSZLIROESA-N 2 1 290.451 2.361 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(CO)cc3)C2)CC1 ZINC000370004669 373554242 /nfs/dbraw/zinc/55/42/42/373554242.db2.gz FTQNWLDJDNSDKH-UHFFFAOYSA-N 2 1 288.435 2.487 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(C2CC2)CC1 ZINC000644606644 373555909 /nfs/dbraw/zinc/55/59/09/373555909.db2.gz FIIZPSUWJAFOML-KRWDZBQOSA-N 2 1 288.435 2.259 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(C2CC2)CC1 ZINC000644606644 373555911 /nfs/dbraw/zinc/55/59/11/373555911.db2.gz FIIZPSUWJAFOML-KRWDZBQOSA-N 2 1 288.435 2.259 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ncccc2F)[C@@H]2CCC[C@H]21 ZINC000353642762 220216534 /nfs/dbraw/zinc/21/65/34/220216534.db2.gz IITLFWBRGQQSJX-AEGPPILISA-N 2 1 293.386 2.062 20 0 CEADMP C[C@@H](NCCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272586212 373564763 /nfs/dbraw/zinc/56/47/63/373564763.db2.gz WUFBWTMLDWPKNK-SJLPKXTDSA-N 2 1 289.467 2.438 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272586212 373564770 /nfs/dbraw/zinc/56/47/70/373564770.db2.gz WUFBWTMLDWPKNK-SJLPKXTDSA-N 3 1 289.467 2.438 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272586212 373564776 /nfs/dbraw/zinc/56/47/76/373564776.db2.gz WUFBWTMLDWPKNK-SJLPKXTDSA-N 3 1 289.467 2.438 20 0 CEADMP COC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000370478843 373664498 /nfs/dbraw/zinc/66/44/98/373664498.db2.gz XKUJDOYMYVSLJD-JYJNAYRXSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(n2cccn2)CC1 ZINC000370487169 373666572 /nfs/dbraw/zinc/66/65/72/373666572.db2.gz AEYQHAOCKHSWBY-HNNXBMFYSA-N 2 1 276.428 2.394 20 0 CEADMP C[C@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000370526289 373675788 /nfs/dbraw/zinc/67/57/88/373675788.db2.gz CUTHPQIUPYWJSG-MGLUKCQKSA-N 2 1 266.429 2.406 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370698072 373719425 /nfs/dbraw/zinc/71/94/25/373719425.db2.gz IDZFGFMRHRDDRL-RDJZCZTQSA-N 2 1 281.488 2.380 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCOC3CCC3)C2)CC1 ZINC000370740322 373733771 /nfs/dbraw/zinc/73/37/71/373733771.db2.gz SDEVQCDQMJNBHV-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(OCC2CC2)CC1 ZINC000371199192 373812023 /nfs/dbraw/zinc/81/20/23/373812023.db2.gz RWCISGCHQWECEW-UHFFFAOYSA-N 2 1 277.412 2.473 20 0 CEADMP CN(CCC[N@@H+](C)CCc1ccccc1)CC[NH+](C)C ZINC000289543743 197396875 /nfs/dbraw/zinc/39/68/75/197396875.db2.gz WWQIPCVSXHGKKW-UHFFFAOYSA-N 2 1 277.456 2.044 20 0 CEADMP [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)C1 ZINC000371263764 373825215 /nfs/dbraw/zinc/82/52/15/373825215.db2.gz CYSYZENRCRAFHU-RBSFLKMASA-N 2 1 293.455 2.027 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cncc(Br)c1 ZINC000274362466 373894537 /nfs/dbraw/zinc/89/45/37/373894537.db2.gz VXMDZPGKPNEBFX-UHFFFAOYSA-N 2 1 295.184 2.139 20 0 CEADMP CC/C=C/CC[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372044098 374030243 /nfs/dbraw/zinc/03/02/43/374030243.db2.gz QSCJSFKLIWCOEA-LAQIPUCWSA-N 2 1 279.472 2.302 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000372059755 374034194 /nfs/dbraw/zinc/03/41/94/374034194.db2.gz LMABNPKFGYZUTR-YYIAUSFCSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCF ZINC000274799942 374053387 /nfs/dbraw/zinc/05/33/87/374053387.db2.gz FBHWUJSMBNEMJD-ZFWWWQNUSA-N 2 1 250.361 2.456 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCF ZINC000274799942 374053390 /nfs/dbraw/zinc/05/33/90/374053390.db2.gz FBHWUJSMBNEMJD-ZFWWWQNUSA-N 2 1 250.361 2.456 20 0 CEADMP CCC[NH+]1CCC(N2CC[NH+](Cc3cc[nH]c3)CC2)CC1 ZINC000372399837 374118969 /nfs/dbraw/zinc/11/89/69/374118969.db2.gz WKYNLYBHVFQHSD-UHFFFAOYSA-N 2 1 290.455 2.007 20 0 CEADMP C[C@H](O)CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274922090 374096989 /nfs/dbraw/zinc/09/69/89/374096989.db2.gz PIXFZKNVGHMFEN-ZOBUZTSGSA-N 2 1 276.424 2.258 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000372498409 374143602 /nfs/dbraw/zinc/14/36/02/374143602.db2.gz VRNJKXQRXROSAJ-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1cnccc1CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000645811672 374199637 /nfs/dbraw/zinc/19/96/37/374199637.db2.gz BCFDYPHFDRASFN-GDBMZVCRSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cnccc1CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000645811672 374199644 /nfs/dbraw/zinc/19/96/44/374199644.db2.gz BCFDYPHFDRASFN-GDBMZVCRSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cnccc1CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000645811672 374199649 /nfs/dbraw/zinc/19/96/49/374199649.db2.gz BCFDYPHFDRASFN-GDBMZVCRSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cnccc1CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000645811672 374199654 /nfs/dbraw/zinc/19/96/54/374199654.db2.gz BCFDYPHFDRASFN-GDBMZVCRSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1ccncc1CCC[N@@H+](C)Cc1nccn1C ZINC000275226113 374190609 /nfs/dbraw/zinc/19/06/09/374190609.db2.gz KQRKQLUEMYRPTM-UHFFFAOYSA-N 2 1 258.369 2.188 20 0 CEADMP Cc1ccncc1CCC[N@H+](C)Cc1nccn1C ZINC000275226113 374190616 /nfs/dbraw/zinc/19/06/16/374190616.db2.gz KQRKQLUEMYRPTM-UHFFFAOYSA-N 2 1 258.369 2.188 20 0 CEADMP COCC[NH+](CCOC)C1CC[NH+](CC2=CCCC2)CC1 ZINC000645911513 374275791 /nfs/dbraw/zinc/27/57/91/374275791.db2.gz PNACUCNDMGEPBM-UHFFFAOYSA-N 2 1 296.455 2.156 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCn2cc[nH+]c2C)C12CCC2 ZINC000373225656 374298475 /nfs/dbraw/zinc/29/84/75/374298475.db2.gz BXXYDMVFHGDULW-VHDGCEQUSA-N 2 1 277.412 2.375 20 0 CEADMP CC/C=C/CC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000373343736 374331934 /nfs/dbraw/zinc/33/19/34/374331934.db2.gz DXGHGOBXLQMXNT-LZCSOBMZSA-N 2 1 279.472 2.301 20 0 CEADMP Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277161821 374421991 /nfs/dbraw/zinc/42/19/91/374421991.db2.gz KFBOLXXJSSJXPO-IRXDYDNUSA-N 2 1 276.424 2.445 20 0 CEADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[NH+](C)C ZINC000373876510 374437967 /nfs/dbraw/zinc/43/79/67/374437967.db2.gz PPQRSCOURUQGPB-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1cc[nH+]c(NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000277691143 374610573 /nfs/dbraw/zinc/61/05/73/374610573.db2.gz QWJDJJSIPWBBQI-CQSZACIVSA-N 2 1 263.385 2.303 20 0 CEADMP Cc1cc[nH+]c(NCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000277691143 374610578 /nfs/dbraw/zinc/61/05/78/374610578.db2.gz QWJDJJSIPWBBQI-CQSZACIVSA-N 2 1 263.385 2.303 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCSC3)CC[C@H]21 ZINC000375757037 374675013 /nfs/dbraw/zinc/67/50/13/374675013.db2.gz ITZQLDIOVNDZDB-BFHYXJOUSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCSC3)CC[C@H]21 ZINC000375757037 374675020 /nfs/dbraw/zinc/67/50/20/374675020.db2.gz ITZQLDIOVNDZDB-BFHYXJOUSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCSC3)CC[C@H]21 ZINC000375757037 374675025 /nfs/dbraw/zinc/67/50/25/374675025.db2.gz ITZQLDIOVNDZDB-BFHYXJOUSA-N 2 1 254.443 2.156 20 0 CEADMP COc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000277931553 374687263 /nfs/dbraw/zinc/68/72/63/374687263.db2.gz QNPQDCGAGFIASX-HNNXBMFYSA-N 2 1 292.423 2.286 20 0 CEADMP COCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377328348 374837158 /nfs/dbraw/zinc/83/71/58/374837158.db2.gz BJTIOQUQZDYDKV-ROUUACIJSA-N 2 1 288.435 2.477 20 0 CEADMP COCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377328348 374837162 /nfs/dbraw/zinc/83/71/62/374837162.db2.gz BJTIOQUQZDYDKV-ROUUACIJSA-N 2 1 288.435 2.477 20 0 CEADMP COCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377328348 374837169 /nfs/dbraw/zinc/83/71/69/374837169.db2.gz BJTIOQUQZDYDKV-ROUUACIJSA-N 2 1 288.435 2.477 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000279555130 374917028 /nfs/dbraw/zinc/91/70/28/374917028.db2.gz RETVAMDLINWLLL-RDJZCZTQSA-N 2 1 276.424 2.402 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCCO)CC[N@H+]1Cc1ccccc1 ZINC000279555130 374917032 /nfs/dbraw/zinc/91/70/32/374917032.db2.gz RETVAMDLINWLLL-RDJZCZTQSA-N 2 1 276.424 2.402 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCc3[nH+]ccn32)cc1 ZINC000377675679 374918228 /nfs/dbraw/zinc/91/82/28/374918228.db2.gz LTFOTILWQAQGRC-OAHLLOKOSA-N 2 1 298.390 2.461 20 0 CEADMP C[N@H+](C[C@@H]1CCn2cc[nH+]c2C1)[C@H]1Cc2ccccc2[C@H]1O ZINC000377660205 374914233 /nfs/dbraw/zinc/91/42/33/374914233.db2.gz UQGHPQOHXJMCEY-RPVQJOFSSA-N 2 1 297.402 2.036 20 0 CEADMP C[N@@H+](C[C@@H]1CCn2cc[nH+]c2C1)[C@H]1Cc2ccccc2[C@H]1O ZINC000377660205 374914240 /nfs/dbraw/zinc/91/42/40/374914240.db2.gz UQGHPQOHXJMCEY-RPVQJOFSSA-N 2 1 297.402 2.036 20 0 CEADMP CCC[N@@H+]1CC[C@H](CNc2cccc(-n3cc[nH+]c3C)n2)C1 ZINC000378436555 375098697 /nfs/dbraw/zinc/09/86/97/375098697.db2.gz QCADVNBFNCKNEY-OAHLLOKOSA-N 2 1 299.422 2.141 20 0 CEADMP CCC[N@H+]1CC[C@H](CNc2cccc(-n3cc[nH+]c3C)n2)C1 ZINC000378436555 375098707 /nfs/dbraw/zinc/09/87/07/375098707.db2.gz QCADVNBFNCKNEY-OAHLLOKOSA-N 2 1 299.422 2.141 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000379627360 375153953 /nfs/dbraw/zinc/15/39/53/375153953.db2.gz MWUVIBAJXCKTOM-NXHRZFHOSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000379627356 375154375 /nfs/dbraw/zinc/15/43/75/375154375.db2.gz MWUVIBAJXCKTOM-BPQIPLTHSA-N 2 1 287.451 2.381 20 0 CEADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000382865577 375193937 /nfs/dbraw/zinc/19/39/37/375193937.db2.gz GPCPAWYYBIUMCX-MCIONIFRSA-N 2 1 299.459 2.220 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@H]1C)[NH+]1CCCC1 ZINC000384638841 375213019 /nfs/dbraw/zinc/21/30/19/375213019.db2.gz SGGLFQSRPXTTSW-QPSCCSFWSA-N 2 1 254.418 2.262 20 0 CEADMP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)C1(C[NH3+])CCC1 ZINC000385172082 375230235 /nfs/dbraw/zinc/23/02/35/375230235.db2.gz GGWKYSAEVUFSEZ-UHFFFAOYSA-N 2 1 295.814 2.482 20 0 CEADMP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C1(C[NH3+])CCC1 ZINC000385172082 375230243 /nfs/dbraw/zinc/23/02/43/375230243.db2.gz GGWKYSAEVUFSEZ-UHFFFAOYSA-N 2 1 295.814 2.482 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000389857771 375308511 /nfs/dbraw/zinc/30/85/11/375308511.db2.gz CLBXZHIDFUHUHO-NJAFHUGGSA-N 2 1 287.451 2.096 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000389857771 375308517 /nfs/dbraw/zinc/30/85/17/375308517.db2.gz CLBXZHIDFUHUHO-NJAFHUGGSA-N 2 1 287.451 2.096 20 0 CEADMP CC(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)[C@H](C)[NH3+] ZINC000399402725 375364196 /nfs/dbraw/zinc/36/41/96/375364196.db2.gz SHESPAYTHJDVRV-GOEBONIOSA-N 2 1 297.487 2.185 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)C1CC1 ZINC000412085708 375539547 /nfs/dbraw/zinc/53/95/47/375539547.db2.gz VUIQJVMQEMGYJQ-ZNMIVQPWSA-N 2 1 298.471 2.013 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)C1CC1 ZINC000412085708 375539552 /nfs/dbraw/zinc/53/95/52/375539552.db2.gz VUIQJVMQEMGYJQ-ZNMIVQPWSA-N 2 1 298.471 2.013 20 0 CEADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(O)c1 ZINC000282426964 375481839 /nfs/dbraw/zinc/48/18/39/375481839.db2.gz SWUOMXHOAKIJKX-CQSZACIVSA-N 2 1 291.439 2.069 20 0 CEADMP CCC[N@H+](CCc1cccs1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289479611 197367114 /nfs/dbraw/zinc/36/71/14/197367114.db2.gz IFFQIHMZXGHRMQ-HNNXBMFYSA-N 2 1 296.480 2.458 20 0 CEADMP CCC[N@@H+](CCc1cccs1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289479611 197367115 /nfs/dbraw/zinc/36/71/15/197367115.db2.gz IFFQIHMZXGHRMQ-HNNXBMFYSA-N 2 1 296.480 2.458 20 0 CEADMP CCC[NH+](CCc1cccs1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289479611 197367117 /nfs/dbraw/zinc/36/71/17/197367117.db2.gz IFFQIHMZXGHRMQ-HNNXBMFYSA-N 2 1 296.480 2.458 20 0 CEADMP CCC[NH+](CCc1cccs1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289479611 197367119 /nfs/dbraw/zinc/36/71/19/197367119.db2.gz IFFQIHMZXGHRMQ-HNNXBMFYSA-N 2 1 296.480 2.458 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)OCC1CC1 ZINC000414278006 375817525 /nfs/dbraw/zinc/81/75/25/375817525.db2.gz XRJRPJRSIYRRQB-OCCSQVGLSA-N 2 1 254.418 2.121 20 0 CEADMP COc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1OC(F)F ZINC000414795543 375980544 /nfs/dbraw/zinc/98/05/44/375980544.db2.gz ATWFWVKXMUCNSH-UHFFFAOYSA-N 2 1 274.311 2.124 20 0 CEADMP CCOC(=O)CC(C)(C)[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414765500 375957146 /nfs/dbraw/zinc/95/71/46/375957146.db2.gz ZYPCLCFPCPUVFJ-LBPRGKRZSA-N 2 1 258.406 2.023 20 0 CEADMP CCOC(=O)CC(C)(C)[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414765500 375957151 /nfs/dbraw/zinc/95/71/51/375957151.db2.gz ZYPCLCFPCPUVFJ-LBPRGKRZSA-N 2 1 258.406 2.023 20 0 CEADMP CSc1cc2c(cc1C[NH2+]C1CC[NH2+]CC1)OCCO2 ZINC000414787867 375969452 /nfs/dbraw/zinc/96/94/52/375969452.db2.gz LWUXSTXYGFFLNT-UHFFFAOYSA-N 2 1 294.420 2.021 20 0 CEADMP CCOc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1OCC ZINC000414789484 375971479 /nfs/dbraw/zinc/97/14/79/375971479.db2.gz OAWPVLCKINGNMH-UHFFFAOYSA-N 2 1 278.396 2.326 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCN(C)c2ccccc2)CC[NH2+]1 ZINC000414689182 375919022 /nfs/dbraw/zinc/91/90/22/375919022.db2.gz FLZVJOLQJSDGSB-CVEARBPZSA-N 2 1 275.440 2.443 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H](N3CCCC3)C2)CC[NH2+]1 ZINC000414690089 375921124 /nfs/dbraw/zinc/92/11/24/375921124.db2.gz HSFQZJAVZWRNAX-IKGGRYGDSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1C[C@@H](CN2CCCC[C@H]([NH+]3CCCC3)C2)CC[NH2+]1 ZINC000414690089 375921129 /nfs/dbraw/zinc/92/11/29/375921129.db2.gz HSFQZJAVZWRNAX-IKGGRYGDSA-N 2 1 279.472 2.325 20 0 CEADMP [NH3+]CCCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000414697526 375924053 /nfs/dbraw/zinc/92/40/53/375924053.db2.gz CDDHDKHGYMWJOF-QZTJIDSGSA-N 2 1 287.451 2.322 20 0 CEADMP Cc1ccc([C@H]2CSCC[N@H+]2CCC[NH3+])cc1 ZINC000414700048 375929077 /nfs/dbraw/zinc/92/90/77/375929077.db2.gz KBQZFIHBIZECGU-CQSZACIVSA-N 2 1 250.411 2.434 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](OCC3CC3)C2)CC[NH2+]1 ZINC000414737063 375943887 /nfs/dbraw/zinc/94/38/87/375943887.db2.gz HECKLZXXFAUUBZ-VNQPRFMTSA-N 2 1 266.429 2.266 20 0 CEADMP COCC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@H]1CCCSC1 ZINC000414758108 375951654 /nfs/dbraw/zinc/95/16/54/375951654.db2.gz BXPNCLJSIZUMRX-KBPBESRZSA-N 2 1 274.474 2.204 20 0 CEADMP COCC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@H]1CCCSC1 ZINC000414758108 375951657 /nfs/dbraw/zinc/95/16/57/375951657.db2.gz BXPNCLJSIZUMRX-KBPBESRZSA-N 2 1 274.474 2.204 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2[NH2+]CCCC2(C)C)[C@H](C)C1 ZINC000414930611 376013122 /nfs/dbraw/zinc/01/31/22/376013122.db2.gz QDOLTEUITDONBG-ILXRZTDVSA-N 2 1 267.461 2.085 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH3+])CC1CCC(C(C)(C)C)CC1 ZINC000415069609 376019970 /nfs/dbraw/zinc/01/99/70/376019970.db2.gz PGJRAWZUSMTBKL-JXQTWKCFSA-N 2 1 256.434 2.090 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000414798693 375983370 /nfs/dbraw/zinc/98/33/70/375983370.db2.gz FLRKWIMJTNRCJU-UHFFFAOYSA-N 2 1 294.395 2.074 20 0 CEADMP CCOc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1OC ZINC000414802752 375987165 /nfs/dbraw/zinc/98/71/65/375987165.db2.gz VWNKLUIIMYREGX-CYBMUJFWSA-N 2 1 266.385 2.167 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1cnc2cccc(C)n12 ZINC000414804494 375989308 /nfs/dbraw/zinc/98/93/08/375989308.db2.gz FJBVMRDTEUVHKK-UHFFFAOYSA-N 2 1 260.385 2.250 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H]3Cc4ccccc43)C2)CC1 ZINC000287195806 376171258 /nfs/dbraw/zinc/17/12/58/376171258.db2.gz HZQDNQGVOCROFH-MSOLQXFVSA-N 2 1 299.462 2.038 20 0 CEADMP C[C@H](C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000262476594 190055910 /nfs/dbraw/zinc/05/59/10/190055910.db2.gz YZVVZBARUILGJM-ZIAGYGMSSA-N 2 1 289.423 2.452 20 0 CEADMP COc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)c(F)cn1 ZINC000287817890 376321302 /nfs/dbraw/zinc/32/13/02/376321302.db2.gz VBBFOMCUYNIMJQ-NSHDSACASA-N 2 1 292.358 2.475 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOCC3CCC3)CC[C@H]21 ZINC000419225344 376402429 /nfs/dbraw/zinc/40/24/29/376402429.db2.gz CODFXEAOPLATGR-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOCC3CCC3)CC[C@H]21 ZINC000419225344 376402435 /nfs/dbraw/zinc/40/24/35/376402435.db2.gz CODFXEAOPLATGR-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOCC3CCC3)CC[C@H]21 ZINC000419225344 376402440 /nfs/dbraw/zinc/40/24/40/376402440.db2.gz CODFXEAOPLATGR-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOCC3CCC3)C2)C1 ZINC000419293443 376431545 /nfs/dbraw/zinc/43/15/45/376431545.db2.gz UWRYHCVWYDZWBK-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCOCC3CCC3)C2)C1 ZINC000419293443 376431550 /nfs/dbraw/zinc/43/15/50/376431550.db2.gz UWRYHCVWYDZWBK-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOCC3CCC3)C2)C1 ZINC000419293443 376431560 /nfs/dbraw/zinc/43/15/60/376431560.db2.gz UWRYHCVWYDZWBK-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)[C@@H]1SC ZINC000556787338 376487663 /nfs/dbraw/zinc/48/76/63/376487663.db2.gz KCBFOENLCHKQGU-BARDWOONSA-N 2 1 286.485 2.215 20 0 CEADMP COCCC1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000419738022 376490954 /nfs/dbraw/zinc/49/09/54/376490954.db2.gz YSNBLKXWMGVPDX-KBPBESRZSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000309692194 376600793 /nfs/dbraw/zinc/60/07/93/376600793.db2.gz DBUDMEUOJIUZPU-ZOBORPQBSA-N 2 1 299.459 2.360 20 0 CEADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309692194 376600804 /nfs/dbraw/zinc/60/08/04/376600804.db2.gz DBUDMEUOJIUZPU-ZOBORPQBSA-N 2 1 299.459 2.360 20 0 CEADMP CCn1nc(C)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000307971090 376576292 /nfs/dbraw/zinc/57/62/92/376576292.db2.gz HKINNTLYGIXHOL-YIONKMFJSA-N 2 1 276.428 2.235 20 0 CEADMP CCn1nc(C)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000307971090 376576299 /nfs/dbraw/zinc/57/62/99/376576299.db2.gz HKINNTLYGIXHOL-YIONKMFJSA-N 2 1 276.428 2.235 20 0 CEADMP Cc1ccoc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334316382 206359934 /nfs/dbraw/zinc/35/99/34/206359934.db2.gz OVTYTZWFPPJTPJ-JKSUJKDBSA-N 2 1 291.439 2.046 20 0 CEADMP Cc1ccoc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334316382 206359937 /nfs/dbraw/zinc/35/99/37/206359937.db2.gz OVTYTZWFPPJTPJ-JKSUJKDBSA-N 2 1 291.439 2.046 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000290051236 376620334 /nfs/dbraw/zinc/62/03/34/376620334.db2.gz FCGSTYOICONKEV-OAHLLOKOSA-N 2 1 290.455 2.369 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000290051236 376620341 /nfs/dbraw/zinc/62/03/41/376620341.db2.gz FCGSTYOICONKEV-OAHLLOKOSA-N 2 1 290.455 2.369 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H](C)CCCC[NH3+])[NH+]1CCCC1 ZINC000310844940 376639918 /nfs/dbraw/zinc/63/99/18/376639918.db2.gz IEAYDHILVGZKID-HUUCEWRRSA-N 3 1 255.450 2.214 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000311319579 376663147 /nfs/dbraw/zinc/66/31/47/376663147.db2.gz BNLOBIONSIJGDX-NEPJUHHUSA-N 2 1 282.350 2.418 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000311319579 376663154 /nfs/dbraw/zinc/66/31/54/376663154.db2.gz BNLOBIONSIJGDX-NEPJUHHUSA-N 2 1 282.350 2.418 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC1CC[NH+](C2CC2)CC1 ZINC000312707859 376726532 /nfs/dbraw/zinc/72/65/32/376726532.db2.gz GZENOSTVFWTVQY-OAHLLOKOSA-N 2 1 279.472 2.467 20 0 CEADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420383497 376683105 /nfs/dbraw/zinc/68/31/05/376683105.db2.gz QUGOZWKCSZIHEJ-YOEHRIQHSA-N 2 1 299.422 2.443 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCCC3CCOCC3)C[C@@H]12 ZINC000311861857 376691593 /nfs/dbraw/zinc/69/15/93/376691593.db2.gz VGHSOZCOLSYCBY-ARFHVFGLSA-N 2 1 266.429 2.252 20 0 CEADMP CC(C)C(C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C(C)C ZINC000560050365 376709248 /nfs/dbraw/zinc/70/92/48/376709248.db2.gz LGDCELIATJDLOZ-OAHLLOKOSA-N 2 1 297.487 2.092 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cn1 ZINC000560540131 376761315 /nfs/dbraw/zinc/76/13/15/376761315.db2.gz QGWGAELKGBRXNT-BBWFWOEESA-N 2 1 273.424 2.395 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c[nH]c3nccnc23)C1 ZINC000290440973 376778787 /nfs/dbraw/zinc/77/87/87/376778787.db2.gz NVLZYRBKSQUTOA-ZDUSSCGKSA-N 2 1 287.411 2.122 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c[nH]c3nccnc23)C1 ZINC000290440973 376778790 /nfs/dbraw/zinc/77/87/90/376778790.db2.gz NVLZYRBKSQUTOA-ZDUSSCGKSA-N 2 1 287.411 2.122 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000290528136 376821660 /nfs/dbraw/zinc/82/16/60/376821660.db2.gz VCMBTBGVJYCSEZ-CYBMUJFWSA-N 2 1 287.411 2.122 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000290528136 376821664 /nfs/dbraw/zinc/82/16/64/376821664.db2.gz VCMBTBGVJYCSEZ-CYBMUJFWSA-N 2 1 287.411 2.122 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]c3nccnc23)C1 ZINC000290528136 376821670 /nfs/dbraw/zinc/82/16/70/376821670.db2.gz VCMBTBGVJYCSEZ-CYBMUJFWSA-N 2 1 287.411 2.122 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]c3nccnc23)C1 ZINC000290528136 376821678 /nfs/dbraw/zinc/82/16/78/376821678.db2.gz VCMBTBGVJYCSEZ-CYBMUJFWSA-N 2 1 287.411 2.122 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)ncn2C ZINC000290544449 376826598 /nfs/dbraw/zinc/82/65/98/376826598.db2.gz RKSVTOSUMASTFR-BBRMVZONSA-N 2 1 286.423 2.345 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)ncn2C ZINC000290544449 376826607 /nfs/dbraw/zinc/82/66/07/376826607.db2.gz RKSVTOSUMASTFR-BBRMVZONSA-N 2 1 286.423 2.345 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)ncn2C ZINC000290544449 376826611 /nfs/dbraw/zinc/82/66/11/376826611.db2.gz RKSVTOSUMASTFR-BBRMVZONSA-N 2 1 286.423 2.345 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)ncn2C ZINC000290544449 376826615 /nfs/dbraw/zinc/82/66/15/376826615.db2.gz RKSVTOSUMASTFR-BBRMVZONSA-N 2 1 286.423 2.345 20 0 CEADMP Cc1ccoc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457936 542142003 /nfs/dbraw/zinc/14/20/03/542142003.db2.gz UEFSDKOAUUDDJD-MRXNPFEDSA-N 2 1 291.439 2.188 20 0 CEADMP CCCn1ccnc1CCC[N@@H+](C)Cc1c[nH]nc1C ZINC000290514904 376814726 /nfs/dbraw/zinc/81/47/26/376814726.db2.gz PTROMOTXKSPSAQ-UHFFFAOYSA-N 2 1 275.400 2.389 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c[nH]nc1C ZINC000290514904 376814743 /nfs/dbraw/zinc/81/47/43/376814743.db2.gz PTROMOTXKSPSAQ-UHFFFAOYSA-N 2 1 275.400 2.389 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc([C@@H](C)O)s1 ZINC000290561520 376835752 /nfs/dbraw/zinc/83/57/52/376835752.db2.gz SJYVVFVEJKFZNN-LLVKDONJSA-N 2 1 294.424 2.223 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc([C@@H](C)O)s1 ZINC000290561520 376835761 /nfs/dbraw/zinc/83/57/61/376835761.db2.gz SJYVVFVEJKFZNN-LLVKDONJSA-N 2 1 294.424 2.223 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(Cl)c1 ZINC000422892148 376854233 /nfs/dbraw/zinc/85/42/33/376854233.db2.gz XOIVNAAHNNXLBO-IAQYHMDHSA-N 2 1 282.815 2.479 20 0 CEADMP C[C@@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1c[nH+]ccc1N ZINC000422892456 376854604 /nfs/dbraw/zinc/85/46/04/376854604.db2.gz YPGUGGDROQWVJD-HZSPNIEDSA-N 2 1 276.428 2.408 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422957045 376881144 /nfs/dbraw/zinc/88/11/44/376881144.db2.gz SCOAFIRTJCXQGH-DVOMOZLQSA-N 2 1 262.397 2.356 20 0 CEADMP CC(C)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)[NH+]1CCCC1 ZINC000422961644 376889319 /nfs/dbraw/zinc/88/93/19/376889319.db2.gz CRQKMICSWPDGOG-GPANFISMSA-N 3 1 267.461 2.214 20 0 CEADMP CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423079698 376974133 /nfs/dbraw/zinc/97/41/33/376974133.db2.gz YQBRYFLZENJTGI-MGPQQGTHSA-N 2 1 254.418 2.169 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@H]1c1ccc(F)cc1 ZINC000562478193 376906033 /nfs/dbraw/zinc/90/60/33/376906033.db2.gz CIPQXQXDSXBECO-HOTGVXAUSA-N 2 1 280.387 2.275 20 0 CEADMP FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000422987917 376909631 /nfs/dbraw/zinc/90/96/31/376909631.db2.gz HULISTBJKNWKQM-DGAVXFQQSA-N 2 1 288.382 2.311 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000422998104 376915279 /nfs/dbraw/zinc/91/52/79/376915279.db2.gz PQGLPSMXOYZPHM-HOTGVXAUSA-N 2 1 267.461 2.229 20 0 CEADMP CC[C@H]([NH2+][C@@H](CO)Cc1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000423064232 376952624 /nfs/dbraw/zinc/95/26/24/376952624.db2.gz YNTQEKIBHIQBRN-IKGGRYGDSA-N 2 1 276.424 2.019 20 0 CEADMP C1CC12CCC([NH2+][C@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CC2 ZINC000423070792 376960955 /nfs/dbraw/zinc/96/09/55/376960955.db2.gz DMKQPTKGFXOTAN-JYJNAYRXSA-N 2 1 278.440 2.456 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000562904168 377019608 /nfs/dbraw/zinc/01/96/08/377019608.db2.gz KCPPMTWFFPTWJX-BQFCYCMXSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000562904168 377019614 /nfs/dbraw/zinc/01/96/14/377019614.db2.gz KCPPMTWFFPTWJX-BQFCYCMXSA-N 2 1 289.467 2.437 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423129906 377027116 /nfs/dbraw/zinc/02/71/16/377027116.db2.gz GBIPGPFFJLFAJO-GHMZBOCLSA-N 2 1 274.286 2.397 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423149294 377048869 /nfs/dbraw/zinc/04/88/69/377048869.db2.gz AMNVSJRJXNWLET-CHWSQXEVSA-N 2 1 272.751 2.327 20 0 CEADMP C[C@H]([NH2+]CC1(C(F)(F)F)CCC1)[C@H]1CCC[NH2+]1 ZINC000423101190 376992805 /nfs/dbraw/zinc/99/28/05/376992805.db2.gz CQWJDEZMAXHMRV-VHSXEESVSA-N 2 1 250.308 2.449 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423103697 376996031 /nfs/dbraw/zinc/99/60/31/376996031.db2.gz XVWNKTAYKWOHBY-OAGGEKHMSA-N 2 1 265.445 2.253 20 0 CEADMP CC[C@@H]([NH2+]C[C@](C)(CO)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423105343 376998247 /nfs/dbraw/zinc/99/82/47/376998247.db2.gz IEVYSYOVPPVESE-IXDOHACOSA-N 2 1 276.424 2.057 20 0 CEADMP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000423107423 377000360 /nfs/dbraw/zinc/00/03/60/377000360.db2.gz KVIZKWQTFMCNPS-TUAOUCFPSA-N 2 1 292.345 2.076 20 0 CEADMP C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)[C@@H]1CCC[NH2+]1 ZINC000423110345 377005318 /nfs/dbraw/zinc/00/53/18/377005318.db2.gz VRSGGFNNBRKKTG-WFASDCNBSA-N 2 1 257.381 2.441 20 0 CEADMP COc1ncc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1Cl ZINC000423163872 377066821 /nfs/dbraw/zinc/06/68/21/377066821.db2.gz VWUOYZZKHPBCJW-CHWSQXEVSA-N 2 1 283.803 2.493 20 0 CEADMP C[N@H+]1CC[C@H](NCC2([NH3+])CCCCC2)[C@H]2CCC[C@H]21 ZINC000423175336 377084246 /nfs/dbraw/zinc/08/42/46/377084246.db2.gz DRVPVISEIMZTQA-QLFBSQMISA-N 2 1 265.445 2.110 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423215369 377131272 /nfs/dbraw/zinc/13/12/72/377131272.db2.gz QNCLPJFUKRPLMG-AAEUAGOBSA-N 2 1 251.349 2.261 20 0 CEADMP N[C@@H]1C[N@H+](C[C@H]2CCCC[C@H]2O)C[C@H]1c1ccccc1F ZINC000563271219 377150411 /nfs/dbraw/zinc/15/04/11/377150411.db2.gz NHPONQJBKFIDMT-JWZBEHFJSA-N 2 1 292.398 2.103 20 0 CEADMP N[C@@H]1C[N@@H+](C[C@H]2CCCC[C@H]2O)C[C@H]1c1ccccc1F ZINC000563271219 377150420 /nfs/dbraw/zinc/15/04/20/377150420.db2.gz NHPONQJBKFIDMT-JWZBEHFJSA-N 2 1 292.398 2.103 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@H]([NH3+])c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423241066 377159330 /nfs/dbraw/zinc/15/93/30/377159330.db2.gz CVSCADZSLLFSAD-LUKYLMHMSA-N 2 1 273.424 2.149 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000423243321 377162377 /nfs/dbraw/zinc/16/23/77/377162377.db2.gz WEPZZBKLHSCLIS-UONOGXRCSA-N 2 1 270.417 2.088 20 0 CEADMP COc1cccc2c1CC[N@H+](CCCc1c[nH+]cn1C)CC2 ZINC000563348816 377178221 /nfs/dbraw/zinc/17/82/21/377178221.db2.gz PNZSAWXNQUPUIJ-UHFFFAOYSA-N 2 1 299.418 2.462 20 0 CEADMP COc1cccc2c1CC[N@@H+](CCCc1c[nH+]cn1C)CC2 ZINC000563348816 377178225 /nfs/dbraw/zinc/17/82/25/377178225.db2.gz PNZSAWXNQUPUIJ-UHFFFAOYSA-N 2 1 299.418 2.462 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000423267058 377185300 /nfs/dbraw/zinc/18/53/00/377185300.db2.gz DRUJRLYLTRZPIK-UKRRQHHQSA-N 2 1 277.412 2.367 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000423282348 377209167 /nfs/dbraw/zinc/20/91/67/377209167.db2.gz VVFIDYKSMRUOPS-OCCSQVGLSA-N 2 1 278.396 2.482 20 0 CEADMP C[C@@H]([NH2+][C@H](CN)C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423283029 377209775 /nfs/dbraw/zinc/20/97/75/377209775.db2.gz VRBVBELLPUONJN-CXAGYDPISA-N 2 1 291.439 2.015 20 0 CEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423283029 377209783 /nfs/dbraw/zinc/20/97/83/377209783.db2.gz VRBVBELLPUONJN-CXAGYDPISA-N 3 1 291.439 2.015 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cc(-c2ccccc2)nn1C ZINC000423287634 377217714 /nfs/dbraw/zinc/21/77/14/377217714.db2.gz NOMKQUISBNCISK-LBPRGKRZSA-N 2 1 272.396 2.475 20 0 CEADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CCC[NH2+]C1)O[C@H](C)C2 ZINC000563422141 377218298 /nfs/dbraw/zinc/21/82/98/377218298.db2.gz VAFQTPJRSMYYLL-CHWSQXEVSA-N 2 1 290.407 2.108 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000423290577 377219660 /nfs/dbraw/zinc/21/96/60/377219660.db2.gz DOXJIJQQCBIKKC-IAOVAPTHSA-N 2 1 273.424 2.423 20 0 CEADMP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000423290577 377219675 /nfs/dbraw/zinc/21/96/75/377219675.db2.gz DOXJIJQQCBIKKC-IAOVAPTHSA-N 2 1 273.424 2.423 20 0 CEADMP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000423290577 377219685 /nfs/dbraw/zinc/21/96/85/377219685.db2.gz DOXJIJQQCBIKKC-IAOVAPTHSA-N 2 1 273.424 2.423 20 0 CEADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000423293698 377221437 /nfs/dbraw/zinc/22/14/37/377221437.db2.gz RYWVMKIISAWIGT-NSHDSACASA-N 2 1 291.395 2.186 20 0 CEADMP C[C@@H](N[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423299441 377229825 /nfs/dbraw/zinc/22/98/25/377229825.db2.gz BPYNFRVXFBANBL-NXHRZFHOSA-N 2 1 287.451 2.239 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000423303418 377232269 /nfs/dbraw/zinc/23/22/69/377232269.db2.gz XBLQPAOQBLRGSJ-WCQYABFASA-N 2 1 291.395 2.186 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423303176 377232574 /nfs/dbraw/zinc/23/25/74/377232574.db2.gz WRFKPPQSEBWFKJ-KBUPBQIOSA-N 2 1 266.429 2.441 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000423303414 377232878 /nfs/dbraw/zinc/23/28/78/377232878.db2.gz XBLQPAOQBLRGSJ-AAEUAGOBSA-N 2 1 291.395 2.186 20 0 CEADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000563530679 377242911 /nfs/dbraw/zinc/24/29/11/377242911.db2.gz UXDUGSMVZPQJIT-YCPHGPKFSA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000563530679 377242920 /nfs/dbraw/zinc/24/29/20/377242920.db2.gz UXDUGSMVZPQJIT-YCPHGPKFSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423317075 377248122 /nfs/dbraw/zinc/24/81/22/377248122.db2.gz BJUOBBMMYFZGGM-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)CCC2 ZINC000423320249 377250637 /nfs/dbraw/zinc/25/06/37/377250637.db2.gz MGFVDAJVMYNNEA-CVEARBPZSA-N 2 1 260.381 2.400 20 0 CEADMP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(OC)c(OC)c1 ZINC000423328431 377260955 /nfs/dbraw/zinc/26/09/55/377260955.db2.gz OBDOUFAORZPGIO-PWSUYJOCSA-N 2 1 252.358 2.092 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(-n2ccnc2)cc1 ZINC000423328611 377263239 /nfs/dbraw/zinc/26/32/39/377263239.db2.gz NZDJKRBIMAZTOL-ZDUSSCGKSA-N 2 1 270.380 2.404 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)ncn1 ZINC000293073378 377417656 /nfs/dbraw/zinc/41/76/56/377417656.db2.gz HDWPOFLEYHIAKH-SWLSCSKDSA-N 2 1 271.368 2.065 20 0 CEADMP Cc1cc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)ncn1 ZINC000293073378 377417669 /nfs/dbraw/zinc/41/76/69/377417669.db2.gz HDWPOFLEYHIAKH-SWLSCSKDSA-N 2 1 271.368 2.065 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]C1CC(C)(c2ccccc2)C1)C1CC1 ZINC000564793587 377457620 /nfs/dbraw/zinc/45/76/20/377457620.db2.gz JXLMXNHTZASZEO-IIIMJFFVSA-N 2 1 288.435 2.151 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]C1CC(C)(c2ccccc2)C1)C1CC1 ZINC000564793587 377457623 /nfs/dbraw/zinc/45/76/23/377457623.db2.gz JXLMXNHTZASZEO-IIIMJFFVSA-N 2 1 288.435 2.151 20 0 CEADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000293346762 377530895 /nfs/dbraw/zinc/53/08/95/377530895.db2.gz GUOLXIIGEYODLP-GHMZBOCLSA-N 2 1 284.425 2.383 20 0 CEADMP N[C@H]1CCCCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000332367916 377581215 /nfs/dbraw/zinc/58/12/15/377581215.db2.gz VGFMLFCGOSJVJT-ZQDZILKHSA-N 2 1 253.434 2.001 20 0 CEADMP CO[C@H](C)c1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cs1 ZINC000431022815 377586920 /nfs/dbraw/zinc/58/69/20/377586920.db2.gz JRNKMEKNPAQHPP-GFCCVEGCSA-N 2 1 295.452 2.426 20 0 CEADMP C[C@@H]1c2ccccc2CCN1Cc1nc(C(C)(C)N)no1 ZINC000431074532 377593888 /nfs/dbraw/zinc/59/38/88/377593888.db2.gz VKJJZWZCWQOESQ-LLVKDONJSA-N 2 1 286.379 2.383 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166713405 542210929 /nfs/dbraw/zinc/21/09/29/542210929.db2.gz PRXLKULUYORYKI-IAGOWNOFSA-N 3 1 279.472 2.325 20 0 CEADMP c1ccc(OCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000312847789 249373751 /nfs/dbraw/zinc/37/37/51/249373751.db2.gz PZHGXOLKDRTPNA-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000313305747 249393618 /nfs/dbraw/zinc/39/36/18/249393618.db2.gz RWGHBAICYLORQO-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H](CCCC[NH3+])NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000293567852 377632913 /nfs/dbraw/zinc/63/29/13/377632913.db2.gz XUROHOBFCSECBI-GJZGRUSLSA-N 2 1 291.439 2.141 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ncc[nH]1 ZINC000285576407 542215156 /nfs/dbraw/zinc/21/51/56/542215156.db2.gz IGRXRWKOCNEHRN-CYBMUJFWSA-N 2 1 288.395 2.201 20 0 CEADMP Cn1c2cc(F)ccc2[nH+]c1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000431423323 377641563 /nfs/dbraw/zinc/64/15/63/377641563.db2.gz SBSPTQITGCVKDQ-CHWSQXEVSA-N 2 1 290.386 2.419 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000565814386 377699235 /nfs/dbraw/zinc/69/92/35/377699235.db2.gz MLYYPGFSNZEONH-BARDWOONSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000565814392 377699616 /nfs/dbraw/zinc/69/96/16/377699616.db2.gz MLYYPGFSNZEONH-LJISPDSOSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1sccc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000293737057 377732743 /nfs/dbraw/zinc/73/27/43/377732743.db2.gz ZWHFKPWRZSAJMN-HNNXBMFYSA-N 2 1 282.453 2.383 20 0 CEADMP Cc1cc[nH+]c(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000333469765 377767444 /nfs/dbraw/zinc/76/74/44/377767444.db2.gz APWLSKXJELMGHW-HOCLYGCPSA-N 2 1 275.396 2.113 20 0 CEADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)C2CCCCC2)C1 ZINC000567177520 377810423 /nfs/dbraw/zinc/81/04/23/377810423.db2.gz KAHKOJVMBMMXDK-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000435874311 377813215 /nfs/dbraw/zinc/81/32/15/377813215.db2.gz JAWUSCKGLFCHRA-ROUUACIJSA-N 3 1 289.467 2.268 20 0 CEADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000435874311 377813219 /nfs/dbraw/zinc/81/32/19/377813219.db2.gz JAWUSCKGLFCHRA-ROUUACIJSA-N 3 1 289.467 2.268 20 0 CEADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)CC(C)C ZINC000567486025 377827827 /nfs/dbraw/zinc/82/78/27/377827827.db2.gz XXLDAWZSELPUFA-HOTGVXAUSA-N 2 1 297.487 2.199 20 0 CEADMP C[C@H]([NH3+])C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000442658408 377976855 /nfs/dbraw/zinc/97/68/55/377976855.db2.gz IUYPLMWRPBRBLP-AWEZNQCLSA-N 2 1 262.397 2.262 20 0 CEADMP Cc1ccccc1OCCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442762111 377991744 /nfs/dbraw/zinc/99/17/44/377991744.db2.gz ZZUZWMVWNGGBHU-HUUCEWRRSA-N 2 1 262.397 2.433 20 0 CEADMP Cc1ccccc1OCCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442762112 377992821 /nfs/dbraw/zinc/99/28/21/377992821.db2.gz ZZUZWMVWNGGBHU-LSDHHAIUSA-N 2 1 262.397 2.433 20 0 CEADMP O=C1CCN1c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000442819112 378003290 /nfs/dbraw/zinc/00/32/90/378003290.db2.gz HRAFNPGJOFOKSV-HZPDHXFCSA-N 2 1 299.418 2.140 20 0 CEADMP O=C1CCN1c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000442819112 378003294 /nfs/dbraw/zinc/00/32/94/378003294.db2.gz HRAFNPGJOFOKSV-HZPDHXFCSA-N 2 1 299.418 2.140 20 0 CEADMP CO[C@@H](C)c1nc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000443064918 378032880 /nfs/dbraw/zinc/03/28/80/378032880.db2.gz ZBLDNRLSDNHFTF-RYUDHWBXSA-N 2 1 283.441 2.411 20 0 CEADMP CO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000443064918 378032885 /nfs/dbraw/zinc/03/28/85/378032885.db2.gz ZBLDNRLSDNHFTF-RYUDHWBXSA-N 2 1 283.441 2.411 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443069750 378033499 /nfs/dbraw/zinc/03/34/99/378033499.db2.gz KKFAOKZXJZYMQO-CQSZACIVSA-N 2 1 275.396 2.206 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000443074978 378034935 /nfs/dbraw/zinc/03/49/35/378034935.db2.gz QVEVVRBIZINKMC-INIZCTEOSA-N 2 1 295.471 2.134 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000442923942 378019645 /nfs/dbraw/zinc/01/96/45/378019645.db2.gz NCTVMKXJZRYSNQ-QGZVFWFLSA-N 2 1 298.434 2.492 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442925453 378019918 /nfs/dbraw/zinc/01/99/18/378019918.db2.gz VPWAMVZGIPLSIG-HNNXBMFYSA-N 3 1 299.422 2.137 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442925453 378019922 /nfs/dbraw/zinc/01/99/22/378019922.db2.gz VPWAMVZGIPLSIG-HNNXBMFYSA-N 2 1 299.422 2.137 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442925453 378019929 /nfs/dbraw/zinc/01/99/29/378019929.db2.gz VPWAMVZGIPLSIG-HNNXBMFYSA-N 2 1 299.422 2.137 20 0 CEADMP CC(C)c1nc([C@@H](C)[NH2+]CCOCC[NH+](C)C)cs1 ZINC000447594973 378123226 /nfs/dbraw/zinc/12/32/26/378123226.db2.gz JYQYTWYPEUVINX-GFCCVEGCSA-N 2 1 285.457 2.495 20 0 CEADMP O[C@H](C[NH+]1CC[C@@H]2CCC[C@H]21)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000447269047 378098150 /nfs/dbraw/zinc/09/81/50/378098150.db2.gz YRFSFRYVSHKQJX-QUSNUVHPSA-N 2 1 278.440 2.096 20 0 CEADMP O[C@@H](C[NH+]1CC[C@@H]2CCC[C@@H]21)C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000447269047 378098154 /nfs/dbraw/zinc/09/81/54/378098154.db2.gz YRFSFRYVSHKQJX-QUSNUVHPSA-N 2 1 278.440 2.096 20 0 CEADMP O[C@@H](C[NH+]1CC[C@@H]2CCC[C@@H]21)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000447269047 378098159 /nfs/dbraw/zinc/09/81/59/378098159.db2.gz YRFSFRYVSHKQJX-QUSNUVHPSA-N 2 1 278.440 2.096 20 0 CEADMP Cc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cs1 ZINC000295942735 378363192 /nfs/dbraw/zinc/36/31/92/378363192.db2.gz GKYBZFSHMQHLBI-UHFFFAOYSA-N 2 1 281.469 2.126 20 0 CEADMP Cn1ncc2c1ncnc2SCC[C@H]1CCCC[N@H+]1C ZINC000295965593 378372383 /nfs/dbraw/zinc/37/23/83/378372383.db2.gz JWCFWPYMPUEKSL-LLVKDONJSA-N 2 1 291.424 2.330 20 0 CEADMP Cc1cnccc1CN1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000295978210 378378128 /nfs/dbraw/zinc/37/81/28/378378128.db2.gz JDHFTFXJBUOLRJ-HZPDHXFCSA-N 2 1 259.397 2.306 20 0 CEADMP C[C@H](O)C[N@H+](C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC000450374162 378382378 /nfs/dbraw/zinc/38/23/78/378382378.db2.gz VFKKZPNSJRYWHS-AWEZNQCLSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC000450374162 378382384 /nfs/dbraw/zinc/38/23/84/378382384.db2.gz VFKKZPNSJRYWHS-AWEZNQCLSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000450374228 378382619 /nfs/dbraw/zinc/38/26/19/378382619.db2.gz VSFHYZCHUAAEEQ-UQPPLGOBSA-N 2 1 280.456 2.344 20 0 CEADMP CCc1ccc2[nH+]ccc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c1 ZINC000450386111 378386773 /nfs/dbraw/zinc/38/67/73/378386773.db2.gz GLPHGGCXTOBNJT-ROUUACIJSA-N 2 1 297.402 2.316 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000450395663 378392015 /nfs/dbraw/zinc/39/20/15/378392015.db2.gz VFRMCJWZGWBYAG-SJORKVTESA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000450395663 378392020 /nfs/dbraw/zinc/39/20/20/378392020.db2.gz VFRMCJWZGWBYAG-SJORKVTESA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000450395663 378392026 /nfs/dbraw/zinc/39/20/26/378392026.db2.gz VFRMCJWZGWBYAG-SJORKVTESA-N 2 1 279.472 2.418 20 0 CEADMP CCC(=O)CCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000450453621 378425246 /nfs/dbraw/zinc/42/52/46/378425246.db2.gz PRAZJZACZYVLHP-HNNXBMFYSA-N 2 1 266.429 2.409 20 0 CEADMP CCC(=O)CCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000450453621 378425263 /nfs/dbraw/zinc/42/52/63/378425263.db2.gz PRAZJZACZYVLHP-HNNXBMFYSA-N 2 1 266.429 2.409 20 0 CEADMP CCC(=O)CCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000450453621 378425265 /nfs/dbraw/zinc/42/52/65/378425265.db2.gz PRAZJZACZYVLHP-HNNXBMFYSA-N 2 1 266.429 2.409 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(C)(C)OC)C1 ZINC000346416490 217899201 /nfs/dbraw/zinc/89/92/01/217899201.db2.gz SISYJPQIRPVYGZ-OAHLLOKOSA-N 2 1 286.460 2.234 20 0 CEADMP CCC[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000450787390 378579830 /nfs/dbraw/zinc/57/98/30/378579830.db2.gz FZAKZSDNJNKCGU-ULQDDVLXSA-N 2 1 291.439 2.167 20 0 CEADMP CC[N@@H+]1CCC[C@H]1CNCc1ccc(C(C)(C)O)cc1 ZINC000296761098 378638922 /nfs/dbraw/zinc/63/89/22/378638922.db2.gz QOWMWQWNFFJYSQ-INIZCTEOSA-N 2 1 276.424 2.488 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](CCc2cscn2)CC1 ZINC000450860605 378619489 /nfs/dbraw/zinc/61/94/89/378619489.db2.gz XBSZWDZVJMHDIO-ZDUSSCGKSA-N 2 1 253.415 2.102 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCc2cscn2)CC1 ZINC000450860605 378619494 /nfs/dbraw/zinc/61/94/94/378619494.db2.gz XBSZWDZVJMHDIO-ZDUSSCGKSA-N 2 1 253.415 2.102 20 0 CEADMP c1ccc(OCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298594500 378775868 /nfs/dbraw/zinc/77/58/68/378775868.db2.gz YSNADVCCAQBIOA-UHFFFAOYSA-N 2 1 260.381 2.282 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCn3ccnc32)C1 ZINC000453059324 378789306 /nfs/dbraw/zinc/78/93/06/378789306.db2.gz MMSPAVGCQDZGTG-CABCVRRESA-N 2 1 276.428 2.430 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H]2CCn3ccnc32)C1 ZINC000453104214 378804307 /nfs/dbraw/zinc/80/43/07/378804307.db2.gz DZQYTCAZISLPMN-KBPBESRZSA-N 2 1 262.401 2.038 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC)C23CCC3)[C@H](C)C1 ZINC000453121221 378811477 /nfs/dbraw/zinc/81/14/77/378811477.db2.gz ODJKJZUWJKKYDE-LXTVHRRPSA-N 2 1 266.429 2.264 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000346824682 218023686 /nfs/dbraw/zinc/02/36/86/218023686.db2.gz CMWJDDFJEJDEBV-UBHSHLNASA-N 2 1 292.379 2.016 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000346824682 218023689 /nfs/dbraw/zinc/02/36/89/218023689.db2.gz CMWJDDFJEJDEBV-UBHSHLNASA-N 2 1 292.379 2.016 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)C[C@@H]12 ZINC000346821602 218024042 /nfs/dbraw/zinc/02/40/42/218024042.db2.gz IWRNZPHYFNWUCL-BPLDGKMQSA-N 2 1 296.361 2.500 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346821535 218024428 /nfs/dbraw/zinc/02/44/28/218024428.db2.gz ILALPMMRDXPXGW-KRWDZBQOSA-N 3 1 281.488 2.430 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@H]12 ZINC000346821541 218025615 /nfs/dbraw/zinc/02/56/15/218025615.db2.gz AWCSDFXILLBMSD-VNQPRFMTSA-N 2 1 282.391 2.246 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C[C@H]12 ZINC000346832665 218029259 /nfs/dbraw/zinc/02/92/59/218029259.db2.gz MABCTMVRZKGVSH-CWRNSKLLSA-N 2 1 282.391 2.246 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C[C@H]12 ZINC000346832665 218029262 /nfs/dbraw/zinc/02/92/62/218029262.db2.gz MABCTMVRZKGVSH-CWRNSKLLSA-N 2 1 282.391 2.246 20 0 CEADMP Cc1ncc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1-c1ccccc1 ZINC000346848748 218036416 /nfs/dbraw/zinc/03/64/16/218036416.db2.gz QRZLMZUQRUNHQU-WBAXXEDZSA-N 2 1 296.418 2.350 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC[N@@H+]1C ZINC000453294232 378856944 /nfs/dbraw/zinc/85/69/44/378856944.db2.gz XMYMHLVGMHUMDC-QLFBSQMISA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC[N@H+]1C ZINC000453294232 378856950 /nfs/dbraw/zinc/85/69/50/378856950.db2.gz XMYMHLVGMHUMDC-QLFBSQMISA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC[NH+]1C ZINC000453294232 378856954 /nfs/dbraw/zinc/85/69/54/378856954.db2.gz XMYMHLVGMHUMDC-QLFBSQMISA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC[NH+]1C ZINC000453294232 378856959 /nfs/dbraw/zinc/85/69/59/378856959.db2.gz XMYMHLVGMHUMDC-QLFBSQMISA-N 2 1 295.471 2.083 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOC2CCC2)[C@H](C)C1 ZINC000346917326 218057453 /nfs/dbraw/zinc/05/74/53/218057453.db2.gz ZGIQLLQSTDZBBW-WBVHZDCISA-N 2 1 298.471 2.282 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453381473 378879469 /nfs/dbraw/zinc/87/94/69/378879469.db2.gz LFKUJRBLLBRBSI-KBPBESRZSA-N 2 1 268.445 2.248 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)C(C)C ZINC000411551578 284727957 /nfs/dbraw/zinc/72/79/57/284727957.db2.gz NMQBMJZCEOLCKY-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP COc1c(O)cccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453596638 378916743 /nfs/dbraw/zinc/91/67/43/378916743.db2.gz MCHIECBIEVLYQD-UHFFFAOYSA-N 2 1 278.396 2.365 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2csc(C)n2)[C@H](C)C1 ZINC000347121176 218128980 /nfs/dbraw/zinc/12/89/80/218128980.db2.gz CQHOSEIWFWGODZ-BXUZGUMPSA-N 2 1 267.442 2.314 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2csc(C)n2)[C@H](C)C1 ZINC000347121180 218129693 /nfs/dbraw/zinc/12/96/93/218129693.db2.gz CQHOSEIWFWGODZ-RISCZKNCSA-N 2 1 267.442 2.314 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000278608399 194066260 /nfs/dbraw/zinc/06/62/60/194066260.db2.gz ZZPLRNWQXYDBGV-IMJJTQAJSA-N 2 1 262.397 2.101 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000508324827 379107867 /nfs/dbraw/zinc/10/78/67/379107867.db2.gz KCMBQEBQYIODAI-AWEZNQCLSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000514788821 379149247 /nfs/dbraw/zinc/14/92/47/379149247.db2.gz NFXYQQQKTHCHBP-VDHUWJSZSA-N 2 1 288.435 2.367 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000514788821 379149250 /nfs/dbraw/zinc/14/92/50/379149250.db2.gz NFXYQQQKTHCHBP-VDHUWJSZSA-N 2 1 288.435 2.367 20 0 CEADMP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000300162602 379154794 /nfs/dbraw/zinc/15/47/94/379154794.db2.gz VFLVXQFEZMDWTL-LLLHUVSDSA-N 2 1 278.440 2.432 20 0 CEADMP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000300162602 379154801 /nfs/dbraw/zinc/15/48/01/379154801.db2.gz VFLVXQFEZMDWTL-LLLHUVSDSA-N 2 1 278.440 2.432 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000515068878 379185079 /nfs/dbraw/zinc/18/50/79/379185079.db2.gz OPPQMUXBRVUDFU-VGWMRTNUSA-N 2 1 268.445 2.200 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000515068878 379185086 /nfs/dbraw/zinc/18/50/86/379185086.db2.gz OPPQMUXBRVUDFU-VGWMRTNUSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000515068878 379185090 /nfs/dbraw/zinc/18/50/90/379185090.db2.gz OPPQMUXBRVUDFU-VGWMRTNUSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000515068878 379185094 /nfs/dbraw/zinc/18/50/94/379185094.db2.gz OPPQMUXBRVUDFU-VGWMRTNUSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)(CCCO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300414062 379168554 /nfs/dbraw/zinc/16/85/54/379168554.db2.gz IXBVQDAIUPIXRB-KGLIPLIRSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000347533531 218265127 /nfs/dbraw/zinc/26/51/27/218265127.db2.gz XAEYDKNVXWPCFZ-SWLSCSKDSA-N 2 1 282.815 2.100 20 0 CEADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000347533531 218265128 /nfs/dbraw/zinc/26/51/28/218265128.db2.gz XAEYDKNVXWPCFZ-SWLSCSKDSA-N 2 1 282.815 2.100 20 0 CEADMP CC(C)[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCS1 ZINC000518558478 379392330 /nfs/dbraw/zinc/39/23/30/379392330.db2.gz UYVGTXUECQNIQL-AWEZNQCLSA-N 2 1 267.442 2.426 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCS1 ZINC000518558478 379392335 /nfs/dbraw/zinc/39/23/35/379392335.db2.gz UYVGTXUECQNIQL-AWEZNQCLSA-N 2 1 267.442 2.426 20 0 CEADMP CC[C@@H](C(=O)N1CC[N@H+](CC)C[C@H]1CC)[NH+](CC)CC ZINC000456368158 379410045 /nfs/dbraw/zinc/41/00/45/379410045.db2.gz DVZHVTJSOHBBLU-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP CC[C@@H](C(=O)N1CC[N@@H+](CC)C[C@H]1CC)[NH+](CC)CC ZINC000456368158 379410051 /nfs/dbraw/zinc/41/00/51/379410051.db2.gz DVZHVTJSOHBBLU-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1cc(Cl)cn1C ZINC000520603799 379491812 /nfs/dbraw/zinc/49/18/12/379491812.db2.gz BDZVIGVIUBRLRZ-UHFFFAOYSA-N 2 1 280.803 2.477 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cc(Cl)cn1C ZINC000520603799 379491823 /nfs/dbraw/zinc/49/18/23/379491823.db2.gz BDZVIGVIUBRLRZ-UHFFFAOYSA-N 2 1 280.803 2.477 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000526114106 379700993 /nfs/dbraw/zinc/70/09/93/379700993.db2.gz KCOSFFPZEQCSNA-MRXNPFEDSA-N 2 1 268.445 2.465 20 0 CEADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000267181239 190309575 /nfs/dbraw/zinc/30/95/75/190309575.db2.gz YSIVBYRCBCBPMM-HNNXBMFYSA-N 2 1 275.396 2.089 20 0 CEADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000267181239 190309576 /nfs/dbraw/zinc/30/95/76/190309576.db2.gz YSIVBYRCBCBPMM-HNNXBMFYSA-N 2 1 275.396 2.089 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(CO)c2)CC1 ZINC000305670771 379727800 /nfs/dbraw/zinc/72/78/00/379727800.db2.gz WWPNJSMXXXUEJN-CYBMUJFWSA-N 2 1 262.397 2.314 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457433757 379798606 /nfs/dbraw/zinc/79/86/06/379798606.db2.gz DOZOLOIWAWVICT-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267433946 190330063 /nfs/dbraw/zinc/33/00/63/190330063.db2.gz NKCLZBLKYZBRHN-BFHYXJOUSA-N 2 1 292.427 2.282 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267433946 190330064 /nfs/dbraw/zinc/33/00/64/190330064.db2.gz NKCLZBLKYZBRHN-BFHYXJOUSA-N 2 1 292.427 2.282 20 0 CEADMP Cc1[nH+]ccn1CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000457828721 379930083 /nfs/dbraw/zinc/93/00/83/379930083.db2.gz JWZUXILXUBRFGN-INIZCTEOSA-N 2 1 298.390 2.379 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457803586 379922833 /nfs/dbraw/zinc/92/28/33/379922833.db2.gz JORBXMNARZVYGX-AWEZNQCLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2cccnc2OC)C[C@H]1C ZINC000488467372 380097918 /nfs/dbraw/zinc/09/79/18/380097918.db2.gz WEJFETOZOVMJGO-HIFRSBDPSA-N 2 1 277.412 2.395 20 0 CEADMP COc1ccc([C@H]([NH2+]CCn2cc[nH+]c2C)C2CC2)cn1 ZINC000528853975 380119924 /nfs/dbraw/zinc/11/99/24/380119924.db2.gz UCHCFZBGJUJOMB-MRXNPFEDSA-N 2 1 286.379 2.336 20 0 CEADMP Cc1c[nH+]cn1CC(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000528910655 380133806 /nfs/dbraw/zinc/13/38/06/380133806.db2.gz VJBRSCJALRFTIO-UHFFFAOYSA-N 2 1 286.379 2.200 20 0 CEADMP CC(C)[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@H+]1C ZINC000489342018 380177658 /nfs/dbraw/zinc/17/76/58/380177658.db2.gz VESGPDVWOOLXAP-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1nc(C[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)no1 ZINC000333950527 380188158 /nfs/dbraw/zinc/18/81/58/380188158.db2.gz YGTKLDCHCMTIRE-AEGPPILISA-N 2 1 292.427 2.021 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000359762371 220275430 /nfs/dbraw/zinc/27/54/30/220275430.db2.gz MDYBLUNPTURFQF-HNNXBMFYSA-N 2 1 297.487 2.343 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000268818264 190436631 /nfs/dbraw/zinc/43/66/31/190436631.db2.gz OKHSHKKAWCOSRJ-CYBMUJFWSA-N 2 1 296.378 2.123 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342689919 296311027 /nfs/dbraw/zinc/31/10/27/296311027.db2.gz FYFPYDZVTRQHCD-PMPSAXMXSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548717049 380550766 /nfs/dbraw/zinc/55/07/66/380550766.db2.gz ITBZSHVTOKOBIH-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548717049 380550774 /nfs/dbraw/zinc/55/07/74/380550774.db2.gz ITBZSHVTOKOBIH-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548717049 380550784 /nfs/dbraw/zinc/55/07/84/380550784.db2.gz ITBZSHVTOKOBIH-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1-n1ccnn1 ZINC000552043994 380678656 /nfs/dbraw/zinc/67/86/56/380678656.db2.gz JUUFKDJGWSRIKV-LSDHHAIUSA-N 2 1 299.422 2.260 20 0 CEADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1 ZINC000279163127 194312119 /nfs/dbraw/zinc/31/21/19/194312119.db2.gz BQWBIKBUCYLLHY-INIZCTEOSA-N 2 1 287.407 2.314 20 0 CEADMP C[NH+](C)C/C=C\C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000492980326 380749929 /nfs/dbraw/zinc/74/99/29/380749929.db2.gz CTGZTSVAWWCEHN-UBAGTECSSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)[N@H+]1CCCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000493673329 381122895 /nfs/dbraw/zinc/12/28/95/381122895.db2.gz APFWWQSELMESAV-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000334849135 207181463 /nfs/dbraw/zinc/18/14/63/207181463.db2.gz PGTCDFVLCKEIGJ-UHFFFAOYSA-N 2 1 290.411 2.093 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000045692344 542343668 /nfs/dbraw/zinc/34/36/68/542343668.db2.gz FQSIBNHUDQODKB-OAHLLOKOSA-N 2 1 290.455 2.370 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000360003038 296342551 /nfs/dbraw/zinc/34/25/51/296342551.db2.gz CEEWTZVFCQLJAO-YUELXQCFSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000360003038 296342552 /nfs/dbraw/zinc/34/25/52/296342552.db2.gz CEEWTZVFCQLJAO-YUELXQCFSA-N 2 1 254.418 2.251 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)ccc2F)CC12CCOCC2 ZINC000335250806 208027382 /nfs/dbraw/zinc/02/73/82/208027382.db2.gz HMEVXRFHOPHCCP-CYBMUJFWSA-N 2 1 296.361 2.152 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)CC12CCOCC2 ZINC000335250806 208027387 /nfs/dbraw/zinc/02/73/87/208027387.db2.gz HMEVXRFHOPHCCP-CYBMUJFWSA-N 2 1 296.361 2.152 20 0 CEADMP Cc1cccc(CC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)n1 ZINC000335365077 208281240 /nfs/dbraw/zinc/28/12/40/208281240.db2.gz HKLRYOKRXUYMGP-QGZVFWFLSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1cccc(CC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)n1 ZINC000335365077 208281246 /nfs/dbraw/zinc/28/12/46/208281246.db2.gz HKLRYOKRXUYMGP-QGZVFWFLSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1cccc(CC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)n1 ZINC000335365077 208281251 /nfs/dbraw/zinc/28/12/51/208281251.db2.gz HKLRYOKRXUYMGP-QGZVFWFLSA-N 2 1 273.424 2.350 20 0 CEADMP COCCSCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000365842494 285126486 /nfs/dbraw/zinc/12/64/86/285126486.db2.gz CFUFXMWDVDVGGA-OAGGEKHMSA-N 2 1 298.496 2.172 20 0 CEADMP COCCSCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365842494 285126487 /nfs/dbraw/zinc/12/64/87/285126487.db2.gz CFUFXMWDVDVGGA-OAGGEKHMSA-N 2 1 298.496 2.172 20 0 CEADMP COCCSCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365842494 285126488 /nfs/dbraw/zinc/12/64/88/285126488.db2.gz CFUFXMWDVDVGGA-OAGGEKHMSA-N 2 1 298.496 2.172 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000350251988 219003818 /nfs/dbraw/zinc/00/38/18/219003818.db2.gz MMVJYAJYOUGIDX-KRWDZBQOSA-N 2 1 291.439 2.323 20 0 CEADMP O[C@@H]1c2ccccc2C[C@H]1[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245861340 285340537 /nfs/dbraw/zinc/34/05/37/285340537.db2.gz OWBBYAHKQRUZHR-BMGDILEWSA-N 2 1 286.419 2.062 20 0 CEADMP COC(=O)[C@]1(C)CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000412079922 533587847 /nfs/dbraw/zinc/58/78/47/533587847.db2.gz VKLPGXXJACCSQY-MRXNPFEDSA-N 2 1 293.411 2.247 20 0 CEADMP COC(=O)[C@]1(C)CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000412079922 533587851 /nfs/dbraw/zinc/58/78/51/533587851.db2.gz VKLPGXXJACCSQY-MRXNPFEDSA-N 2 1 293.411 2.247 20 0 CEADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402294 533607068 /nfs/dbraw/zinc/60/70/68/533607068.db2.gz BDJCBMAHMURHGK-GHMZBOCLSA-N 2 1 266.389 2.274 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000299973830 394453003 /nfs/dbraw/zinc/45/30/03/394453003.db2.gz BLKXXWYUBXDLAA-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(C)C ZINC000355437053 394453899 /nfs/dbraw/zinc/45/38/99/394453899.db2.gz SATGLQNNMICOKG-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000245566970 394501954 /nfs/dbraw/zinc/50/19/54/394501954.db2.gz FHJIDVFCMMIKQO-NUJGCVRESA-N 2 1 291.483 2.419 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000245566970 394501955 /nfs/dbraw/zinc/50/19/55/394501955.db2.gz FHJIDVFCMMIKQO-NUJGCVRESA-N 2 1 291.483 2.419 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000245566970 394501959 /nfs/dbraw/zinc/50/19/59/394501959.db2.gz FHJIDVFCMMIKQO-NUJGCVRESA-N 2 1 291.483 2.419 20 0 CEADMP Cc1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccn1 ZINC000245698456 394504222 /nfs/dbraw/zinc/50/42/22/394504222.db2.gz BHXALTQPUFXJJE-TZMCWYRMSA-N 2 1 274.368 2.090 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000044535287 394507042 /nfs/dbraw/zinc/50/70/42/394507042.db2.gz YCGGZAVZAUAENG-OAHLLOKOSA-N 2 1 284.407 2.304 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000044535287 394507045 /nfs/dbraw/zinc/50/70/45/394507045.db2.gz YCGGZAVZAUAENG-OAHLLOKOSA-N 2 1 284.407 2.304 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000252715469 394574244 /nfs/dbraw/zinc/57/42/44/394574244.db2.gz VRQBZGUZLOXXIE-BPLDGKMQSA-N 2 1 260.381 2.440 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000252715469 394574245 /nfs/dbraw/zinc/57/42/45/394574245.db2.gz VRQBZGUZLOXXIE-BPLDGKMQSA-N 2 1 260.381 2.440 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(C)s1 ZINC000049506946 394548854 /nfs/dbraw/zinc/54/88/54/394548854.db2.gz YXDWXGAVTBOHCX-TZMCWYRMSA-N 2 1 282.453 2.472 20 0 CEADMP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000249076595 394551284 /nfs/dbraw/zinc/55/12/84/394551284.db2.gz RCFWKUNTOUGLOQ-COPLHBTASA-N 2 1 297.830 2.042 20 0 CEADMP CCN1CCC([N@H+]2CCCN(C(=O)CC(C)C)CC2)CC1 ZINC000422010969 394655883 /nfs/dbraw/zinc/65/58/83/394655883.db2.gz UHDAWDXLCTVPCN-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000422046538 394664186 /nfs/dbraw/zinc/66/41/86/394664186.db2.gz ZZSWVIDEIMPFMS-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP COC1([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCCC1 ZINC000421819779 394604578 /nfs/dbraw/zinc/60/45/78/394604578.db2.gz IZMLHFOYIBFVRP-ZIAGYGMSSA-N 2 1 266.429 2.408 20 0 CEADMP Fc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000261657202 394604967 /nfs/dbraw/zinc/60/49/67/394604967.db2.gz KFXVZHBKNOALJL-OCCSQVGLSA-N 2 1 285.366 2.415 20 0 CEADMP Fc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000261657202 394604970 /nfs/dbraw/zinc/60/49/70/394604970.db2.gz KFXVZHBKNOALJL-OCCSQVGLSA-N 2 1 285.366 2.415 20 0 CEADMP CCn1ccnc1[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261797770 394607250 /nfs/dbraw/zinc/60/72/50/394607250.db2.gz GRWRFFUXIDNUHO-HNNXBMFYSA-N 2 1 276.428 2.430 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCC2)[C@@H](C)C1 ZINC000356796922 394616807 /nfs/dbraw/zinc/61/68/07/394616807.db2.gz ZLIJKURZRHRYAS-JKSUJKDBSA-N 2 1 298.471 2.282 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CN[C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422737175 394748451 /nfs/dbraw/zinc/74/84/51/394748451.db2.gz HTIUHXVPSJTMQA-WMLDXEAASA-N 2 1 275.440 2.368 20 0 CEADMP CC1=CC[NH+](CCOCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000270369482 394732037 /nfs/dbraw/zinc/73/20/37/394732037.db2.gz TXXBFOZAWYXISJ-UHFFFAOYSA-N 2 1 264.413 2.307 20 0 CEADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000422711541 394733174 /nfs/dbraw/zinc/73/31/74/394733174.db2.gz NHQDAQWXAWRXMY-FVQBIDKESA-N 2 1 279.403 2.145 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422717885 394738000 /nfs/dbraw/zinc/73/80/00/394738000.db2.gz KUGIJUCYLRFAAY-GVDBMIGSSA-N 3 1 290.455 2.482 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000422722714 394740345 /nfs/dbraw/zinc/74/03/45/394740345.db2.gz YOPMAEFCBALFAG-OLZOCXBDSA-N 2 1 254.761 2.188 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000422724446 394741132 /nfs/dbraw/zinc/74/11/32/394741132.db2.gz VRSZOTGDLIXVNW-KGLIPLIRSA-N 3 1 290.455 2.231 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000422727484 394743256 /nfs/dbraw/zinc/74/32/56/394743256.db2.gz CPTMQGNHJOORCF-KBPBESRZSA-N 2 1 278.396 2.453 20 0 CEADMP C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)C1C[NH2+]C1 ZINC000422727956 394743451 /nfs/dbraw/zinc/74/34/51/394743451.db2.gz DVKGKVJWWWZOSM-JTQLQIEISA-N 2 1 288.313 2.325 20 0 CEADMP COc1ccc(C[N@@H+](CCOCC[NH3+])[C@@H](C)C2CC2)cc1 ZINC000357030671 394686503 /nfs/dbraw/zinc/68/65/03/394686503.db2.gz PNFAFNGKBPROPG-AWEZNQCLSA-N 2 1 292.423 2.271 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c(C)c1 ZINC000414073832 394694700 /nfs/dbraw/zinc/69/47/00/394694700.db2.gz NOJYYZXAROHQMH-CABCVRRESA-N 2 1 292.423 2.111 20 0 CEADMP CC(C)[C@H]1CN(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000357261414 394697583 /nfs/dbraw/zinc/69/75/83/394697583.db2.gz QQJGSNJVGOFEMH-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000357261414 394697587 /nfs/dbraw/zinc/69/75/87/394697587.db2.gz QQJGSNJVGOFEMH-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@H]1CN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000357261414 394697591 /nfs/dbraw/zinc/69/75/91/394697591.db2.gz QQJGSNJVGOFEMH-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)CCO1 ZINC000422559626 394710606 /nfs/dbraw/zinc/71/06/06/394710606.db2.gz DMNGXANMQQSCIF-CQJMVSDSSA-N 2 1 268.445 2.497 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cc12 ZINC000422559633 394710663 /nfs/dbraw/zinc/71/06/63/394710663.db2.gz DNJROHNGDJSVCW-WDMOLILDSA-N 2 1 287.411 2.072 20 0 CEADMP C[C@H](CC1CCOCC1)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422563130 394712056 /nfs/dbraw/zinc/71/20/56/394712056.db2.gz RTJOJLDVQZMHIN-CQSZACIVSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc3c2OCCO3)C[C@@H]1C[NH3+] ZINC000422563905 394712389 /nfs/dbraw/zinc/71/23/89/394712389.db2.gz UWMVPJNFQOWXAW-NFAWXSAZSA-N 2 1 290.407 2.263 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)(C)c1ccccc1 ZINC000358252027 394713180 /nfs/dbraw/zinc/71/31/80/394713180.db2.gz NJUFNWQGACOFCW-PBHICJAKSA-N 2 1 276.424 2.009 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000358252027 394713182 /nfs/dbraw/zinc/71/31/82/394713182.db2.gz NJUFNWQGACOFCW-PBHICJAKSA-N 2 1 276.424 2.009 20 0 CEADMP COc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C(C)C)cc1 ZINC000358256991 394714253 /nfs/dbraw/zinc/71/42/53/394714253.db2.gz RVGDZQZFZOXCBY-IAGOWNOFSA-N 2 1 292.423 2.049 20 0 CEADMP COc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C(C)C)cc1 ZINC000358256991 394714258 /nfs/dbraw/zinc/71/42/58/394714258.db2.gz RVGDZQZFZOXCBY-IAGOWNOFSA-N 2 1 292.423 2.049 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422734765 394747375 /nfs/dbraw/zinc/74/73/75/394747375.db2.gz CRMQKGGWCGNRJC-SOUVJXGZSA-N 2 1 255.450 2.356 20 0 CEADMP COc1cc(C)cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358326462 394718269 /nfs/dbraw/zinc/71/82/69/394718269.db2.gz HDGDXZBYDHHUEG-CZUORRHYSA-N 2 1 262.397 2.433 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc2n(n1)CCC2 ZINC000414154412 394718380 /nfs/dbraw/zinc/71/83/80/394718380.db2.gz TXBSCFVKPNQYRR-ZDUSSCGKSA-N 2 1 276.428 2.354 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1 ZINC000334915128 394718596 /nfs/dbraw/zinc/71/85/96/394718596.db2.gz IPQXVKLUGUONOL-MRXNPFEDSA-N 2 1 286.379 2.197 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1 ZINC000334915128 394718598 /nfs/dbraw/zinc/71/85/98/394718598.db2.gz IPQXVKLUGUONOL-MRXNPFEDSA-N 2 1 286.379 2.197 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1 ZINC000334915128 394718602 /nfs/dbraw/zinc/71/86/02/394718602.db2.gz IPQXVKLUGUONOL-MRXNPFEDSA-N 2 1 286.379 2.197 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1 ZINC000334915128 394718606 /nfs/dbraw/zinc/71/86/06/394718606.db2.gz IPQXVKLUGUONOL-MRXNPFEDSA-N 2 1 286.379 2.197 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414168501 394721613 /nfs/dbraw/zinc/72/16/13/394721613.db2.gz AEOVKHOEGNUCLO-TZMCWYRMSA-N 2 1 264.417 2.111 20 0 CEADMP C[C@@H]([NH2+]CCc1c(F)cccc1F)[C@@H]1CCC[NH2+]1 ZINC000422696805 394724822 /nfs/dbraw/zinc/72/48/22/394724822.db2.gz SLNHWVGRDLDHLP-YGRLFVJLSA-N 2 1 254.324 2.237 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc2c[nH+]cn2c1 ZINC000414194920 394727600 /nfs/dbraw/zinc/72/76/00/394727600.db2.gz WEYJDHDGXPMTEJ-WWGRRREGSA-N 2 1 272.396 2.153 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000414750588 394751100 /nfs/dbraw/zinc/75/11/00/394751100.db2.gz YGFVMPOKCCKJQK-KGLIPLIRSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@H](N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C1C[NH2+]C1 ZINC000422741512 394752161 /nfs/dbraw/zinc/75/21/61/394752161.db2.gz OQJWNICMJGVIDR-ZQIUZPCESA-N 2 1 273.424 2.019 20 0 CEADMP C[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)C1C[NH2+]C1 ZINC000422741512 394752165 /nfs/dbraw/zinc/75/21/65/394752165.db2.gz OQJWNICMJGVIDR-ZQIUZPCESA-N 2 1 273.424 2.019 20 0 CEADMP CC[NH2+]CC[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000414822710 394753136 /nfs/dbraw/zinc/75/31/36/394753136.db2.gz FMMZYENXZVIIFI-GFCCVEGCSA-N 2 1 268.376 2.212 20 0 CEADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000422747970 394756804 /nfs/dbraw/zinc/75/68/04/394756804.db2.gz ZZTAMCARAODTSB-QJPTWQEYSA-N 2 1 297.468 2.283 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H]2CCC[C@H]2[NH3+])C1 ZINC000422750487 394758702 /nfs/dbraw/zinc/75/87/02/394758702.db2.gz BBVFVEWPRRQWDE-BARDWOONSA-N 2 1 267.461 2.212 20 0 CEADMP COCC1(CN2CCC[C@H]2C[NH+]2CCCC2)CCC1 ZINC000361299935 394822569 /nfs/dbraw/zinc/82/25/69/394822569.db2.gz OYKHXDGPLNQLIB-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000361299064 394822737 /nfs/dbraw/zinc/82/27/37/394822737.db2.gz GTZYFUKNLUFMGM-IAGOWNOFSA-N 2 1 282.472 2.447 20 0 CEADMP CC(C)CC[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000361299064 394822744 /nfs/dbraw/zinc/82/27/44/394822744.db2.gz GTZYFUKNLUFMGM-IAGOWNOFSA-N 2 1 282.472 2.447 20 0 CEADMP COc1ccccc1CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422755989 394761703 /nfs/dbraw/zinc/76/17/03/394761703.db2.gz ILWOHVPUOHBAPC-LBPRGKRZSA-N 2 1 271.364 2.396 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN(C)c1ccccc1 ZINC000422756520 394761908 /nfs/dbraw/zinc/76/19/08/394761908.db2.gz IYSTUONMCRXYPU-HOCLYGCPSA-N 2 1 261.413 2.101 20 0 CEADMP C[NH+](C)C1(C[NH2+]C2CCC(C[NH3+])CC2)CCCCC1 ZINC000422755636 394762070 /nfs/dbraw/zinc/76/20/70/394762070.db2.gz KSSGVQVXJFCEGL-UHFFFAOYSA-N 3 1 267.461 2.358 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000414841363 394764316 /nfs/dbraw/zinc/76/43/16/394764316.db2.gz NSVOTSGGZSQXJI-CYBMUJFWSA-N 2 1 290.386 2.016 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccccc1OCC1CC1 ZINC000414841368 394766037 /nfs/dbraw/zinc/76/60/37/394766037.db2.gz NTEYMMYMVXMRLD-ZDUSSCGKSA-N 2 1 262.397 2.421 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414846154 394768411 /nfs/dbraw/zinc/76/84/11/394768411.db2.gz UEEXYHNXGSDSBV-JZXOWHBKSA-N 2 1 289.467 2.485 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000414846154 394768412 /nfs/dbraw/zinc/76/84/12/394768412.db2.gz UEEXYHNXGSDSBV-JZXOWHBKSA-N 2 1 289.467 2.485 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414846154 394768414 /nfs/dbraw/zinc/76/84/14/394768414.db2.gz UEEXYHNXGSDSBV-JZXOWHBKSA-N 3 1 289.467 2.485 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414846154 394768415 /nfs/dbraw/zinc/76/84/15/394768415.db2.gz UEEXYHNXGSDSBV-JZXOWHBKSA-N 3 1 289.467 2.485 20 0 CEADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(C)c1 ZINC000414849937 394769080 /nfs/dbraw/zinc/76/90/80/394769080.db2.gz RRUJFNKFUKALIC-HUUCEWRRSA-N 2 1 289.423 2.362 20 0 CEADMP CC[C@H](NCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422767423 394769823 /nfs/dbraw/zinc/76/98/23/394769823.db2.gz SCDCCYXYBZRERC-IRXDYDNUSA-N 2 1 275.440 2.239 20 0 CEADMP CC[C@@H](NCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422769327 394771132 /nfs/dbraw/zinc/77/11/32/394771132.db2.gz OPZHITCSNVLESO-OAGGEKHMSA-N 2 1 267.461 2.371 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000414855387 394772864 /nfs/dbraw/zinc/77/28/64/394772864.db2.gz NBXRLFREXYBPPR-QWHCGFSZSA-N 2 1 278.396 2.182 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000422772805 394774173 /nfs/dbraw/zinc/77/41/73/394774173.db2.gz ZPRORLCDFIMQBV-UONOGXRCSA-N 2 1 257.466 2.460 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](C3CCCC3)C2)CC1 ZINC000120105964 394775179 /nfs/dbraw/zinc/77/51/79/394775179.db2.gz XOSGWRFFLCLSMP-MRXNPFEDSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](C3CCCC3)C2)CC1 ZINC000120105964 394775180 /nfs/dbraw/zinc/77/51/80/394775180.db2.gz XOSGWRFFLCLSMP-MRXNPFEDSA-N 2 1 265.445 2.031 20 0 CEADMP C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000414860852 394775926 /nfs/dbraw/zinc/77/59/26/394775926.db2.gz WAQSVPQTBQLCQC-GXTWGEPZSA-N 2 1 264.417 2.116 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC2([NH3+])CCCCCC2)[C@H](C)C1 ZINC000414862133 394776155 /nfs/dbraw/zinc/77/61/55/394776155.db2.gz UVODCDSTZNPIAT-HUUCEWRRSA-N 2 1 267.461 2.358 20 0 CEADMP CC[C@H]([NH2+]CCc1ccc(OC)cc1OC)[C@@H]1CCC[NH2+]1 ZINC000422776823 394776769 /nfs/dbraw/zinc/77/67/69/394776769.db2.gz DODJQQWBSUIISN-HOTGVXAUSA-N 2 1 292.423 2.367 20 0 CEADMP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414864417 394776823 /nfs/dbraw/zinc/77/68/23/394776823.db2.gz YMSISFZHBWFKAE-LLVKDONJSA-N 2 1 296.798 2.216 20 0 CEADMP Fc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000422778265 394777848 /nfs/dbraw/zinc/77/78/48/394777848.db2.gz HCPSOKOSLVCSNE-NUEKZKHPSA-N 2 1 296.361 2.212 20 0 CEADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000422779336 394778490 /nfs/dbraw/zinc/77/84/90/394778490.db2.gz IGNSNNCPRGDHSC-BBWFWOEESA-N 2 1 275.440 2.315 20 0 CEADMP [NH3+]C1(C[NH2+]C/C=C/c2ccc(F)cc2F)CCC1 ZINC000414870659 394779556 /nfs/dbraw/zinc/77/95/56/394779556.db2.gz CCJKWJABHPRULN-HNQUOIGGSA-N 2 1 252.308 2.449 20 0 CEADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414873476 394781513 /nfs/dbraw/zinc/78/15/13/394781513.db2.gz XRIMBCXIPRECEB-CABCVRRESA-N 2 1 292.423 2.367 20 0 CEADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422783273 394781915 /nfs/dbraw/zinc/78/19/15/394781915.db2.gz OAMGEDQUZCBTEO-GVDBMIGSSA-N 2 1 276.424 2.476 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414880074 394785375 /nfs/dbraw/zinc/78/53/75/394785375.db2.gz PRXVXPLTMJLCGB-OAHLLOKOSA-N 2 1 291.439 2.356 20 0 CEADMP CSc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000414879825 394785826 /nfs/dbraw/zinc/78/58/26/394785826.db2.gz JHHKPZBTXRTWCA-YPMHNXCESA-N 2 1 250.411 2.291 20 0 CEADMP CCOc1c(C[NH2+][C@H](C)CC[NH3+])c(C)nn1CC(C)C ZINC000414884396 394787608 /nfs/dbraw/zinc/78/76/08/394787608.db2.gz NZBDWYNKIGFZAD-GFCCVEGCSA-N 2 1 282.432 2.073 20 0 CEADMP CC[C@@H](N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422791825 394789697 /nfs/dbraw/zinc/78/96/97/394789697.db2.gz DGRXTXROGBKEJA-ZACQAIPSSA-N 2 1 279.472 2.371 20 0 CEADMP Cc1ccccc1O[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422794704 394791014 /nfs/dbraw/zinc/79/10/14/394791014.db2.gz URCHDTUUYZDVJH-RBSFLKMASA-N 2 1 262.397 2.492 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1ccc(OCC(F)(F)F)cc1)C1CC1 ZINC000414896049 394793925 /nfs/dbraw/zinc/79/39/25/394793925.db2.gz NXSKYGNNDYSUEY-ZDUSSCGKSA-N 2 1 288.313 2.455 20 0 CEADMP C[C@]1(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)CCC[NH2+]C1 ZINC000414900754 394795872 /nfs/dbraw/zinc/79/58/72/394795872.db2.gz IWSQJXMKXYBGRQ-ZFWWWQNUSA-N 2 1 295.452 2.474 20 0 CEADMP C[C@]1(C[NH2+]Cc2ccc(Br)cn2)CCC[NH2+]C1 ZINC000414908449 394799905 /nfs/dbraw/zinc/79/99/05/394799905.db2.gz QXDNVQRZUJOUIT-ZDUSSCGKSA-N 2 1 298.228 2.323 20 0 CEADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414910356 394799983 /nfs/dbraw/zinc/79/99/83/394799983.db2.gz UWVSXNKFRITTRC-ZNMIVQPWSA-N 3 1 253.434 2.029 20 0 CEADMP Fc1cc(F)cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422808009 394801095 /nfs/dbraw/zinc/80/10/95/394801095.db2.gz PRFRAVGSVYJNFG-ARFHVFGLSA-N 2 1 296.361 2.212 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000360686557 394805622 /nfs/dbraw/zinc/80/56/22/394805622.db2.gz XITSGEIKXCUNHS-OWCLPIDISA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422820557 394810882 /nfs/dbraw/zinc/81/08/82/394810882.db2.gz RFRMXARZNOCFGV-HOCLYGCPSA-N 3 1 267.461 2.085 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)CC[N@@H+]1C ZINC000123271507 394825691 /nfs/dbraw/zinc/82/56/91/394825691.db2.gz XDTSHLIYDRXTRD-XJKSGUPXSA-N 2 1 299.418 2.443 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)CC[N@H+]1C ZINC000123271507 394825694 /nfs/dbraw/zinc/82/56/94/394825694.db2.gz XDTSHLIYDRXTRD-XJKSGUPXSA-N 2 1 299.418 2.443 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3[nH]c2=O)CC[NH+]1C ZINC000123271507 394825699 /nfs/dbraw/zinc/82/56/99/394825699.db2.gz XDTSHLIYDRXTRD-XJKSGUPXSA-N 2 1 299.418 2.443 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)CC[NH+]1C ZINC000123271507 394825704 /nfs/dbraw/zinc/82/57/04/394825704.db2.gz XDTSHLIYDRXTRD-XJKSGUPXSA-N 2 1 299.418 2.443 20 0 CEADMP CCCOc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1OC ZINC000422826999 394814567 /nfs/dbraw/zinc/81/45/67/394814567.db2.gz MIRZIMLFMIDIAK-GFCCVEGCSA-N 2 1 278.396 2.182 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000361076875 394814909 /nfs/dbraw/zinc/81/49/09/394814909.db2.gz VFEWRSHMQKUZFW-OWCLPIDISA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CN[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000361076875 394814912 /nfs/dbraw/zinc/81/49/12/394814912.db2.gz VFEWRSHMQKUZFW-OWCLPIDISA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000361076875 394814917 /nfs/dbraw/zinc/81/49/17/394814917.db2.gz VFEWRSHMQKUZFW-OWCLPIDISA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000361076875 394814918 /nfs/dbraw/zinc/81/49/18/394814918.db2.gz VFEWRSHMQKUZFW-OWCLPIDISA-N 3 1 267.461 2.037 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000361076875 394814922 /nfs/dbraw/zinc/81/49/22/394814922.db2.gz VFEWRSHMQKUZFW-OWCLPIDISA-N 3 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000361076875 394814927 /nfs/dbraw/zinc/81/49/27/394814927.db2.gz VFEWRSHMQKUZFW-OWCLPIDISA-N 3 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000361076875 394814931 /nfs/dbraw/zinc/81/49/31/394814931.db2.gz VFEWRSHMQKUZFW-OWCLPIDISA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccncc3)s2)CC[NH2+]1 ZINC000414948518 394818217 /nfs/dbraw/zinc/81/82/17/394818217.db2.gz MFPZKAFGOKRWJV-YPMHNXCESA-N 2 1 288.420 2.435 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC(F)(F)F ZINC000422919717 394862930 /nfs/dbraw/zinc/86/29/30/394862930.db2.gz KETQEHJDZAJBSK-JQWIXIFHSA-N 2 1 260.303 2.487 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOCC(F)(F)F ZINC000422927174 394864126 /nfs/dbraw/zinc/86/41/26/394864126.db2.gz FXGSCQIESSEQBR-YPMHNXCESA-N 2 1 290.329 2.113 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)C(C)C ZINC000363788101 394885011 /nfs/dbraw/zinc/88/50/11/394885011.db2.gz WELWMVRMKRNSRF-HZMVEIRTSA-N 2 1 298.471 2.136 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)C(C)C ZINC000363788101 394885015 /nfs/dbraw/zinc/88/50/15/394885015.db2.gz WELWMVRMKRNSRF-HZMVEIRTSA-N 2 1 298.471 2.136 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)C[C@@]1(C)C[NH3+] ZINC000415058314 394868328 /nfs/dbraw/zinc/86/83/28/394868328.db2.gz VJLKKDUCRXURRD-RHSMWYFYSA-N 2 1 288.439 2.099 20 0 CEADMP COCCOc1cccc(C[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000415061772 394869862 /nfs/dbraw/zinc/86/98/62/394869862.db2.gz DIHPKQPIHMCDLY-QGZVFWFLSA-N 2 1 292.423 2.319 20 0 CEADMP CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422982673 394872885 /nfs/dbraw/zinc/87/28/85/394872885.db2.gz XMIRBYZDNRABCF-SWLSCSKDSA-N 2 1 265.401 2.332 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)C1C[NH2+]C1 ZINC000422973819 394873173 /nfs/dbraw/zinc/87/31/73/394873173.db2.gz PPGFTEHBIAYMRB-GFCCVEGCSA-N 2 1 275.396 2.101 20 0 CEADMP CCOc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1F ZINC000415068276 394873589 /nfs/dbraw/zinc/87/35/89/394873589.db2.gz MFMFJMVCVBJRRK-UHFFFAOYSA-N 2 1 266.360 2.456 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1 ZINC000129876922 394875436 /nfs/dbraw/zinc/87/54/36/394875436.db2.gz VRZROKKENPWZMN-FZMZJTMJSA-N 2 1 295.814 2.208 20 0 CEADMP C[C@H]([NH2+]C[C@@](C)(CO)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423083407 394885552 /nfs/dbraw/zinc/88/55/52/394885552.db2.gz YUWDUTKHYLIXJL-JQHSSLGASA-N 2 1 290.451 2.348 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336811077 394877996 /nfs/dbraw/zinc/87/79/96/394877996.db2.gz KZCHXNZCSBREHN-VXGBXAGGSA-N 2 1 282.350 2.416 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1OC ZINC000415077516 394878439 /nfs/dbraw/zinc/87/84/39/394878439.db2.gz UCDCMDDEUFGGDM-HIFRSBDPSA-N 2 1 292.423 2.367 20 0 CEADMP C[C@H]([NH2+]CCSCC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423011587 394881231 /nfs/dbraw/zinc/88/12/31/394881231.db2.gz BATWBXNJCYTIEB-VHSXEESVSA-N 2 1 270.364 2.402 20 0 CEADMP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423014446 394882431 /nfs/dbraw/zinc/88/24/31/394882431.db2.gz PBAVTDCQIFHEBB-ZIAGYGMSSA-N 2 1 284.407 2.190 20 0 CEADMP COCC1(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CCC1 ZINC000361397959 394826607 /nfs/dbraw/zinc/82/66/07/394826607.db2.gz ZPQUZOHAIXJSDA-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000414965547 394829468 /nfs/dbraw/zinc/82/94/68/394829468.db2.gz VPQUQWIOEBRPHL-QWHCGFSZSA-N 2 1 274.412 2.472 20 0 CEADMP CC[C@@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422854679 394830880 /nfs/dbraw/zinc/83/08/80/394830880.db2.gz BEWLWEQZTQEUSB-BMFZPTHFSA-N 2 1 265.445 2.124 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)s1 ZINC000414983322 394836581 /nfs/dbraw/zinc/83/65/81/394836581.db2.gz ZKPGLLDLADKHSK-LLVKDONJSA-N 2 1 253.415 2.183 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)[C@H](O)c1ccc(F)cc1 ZINC000124354227 394837512 /nfs/dbraw/zinc/83/75/12/394837512.db2.gz IKPYWAYEWRAJCP-KNPMLCFXSA-N 2 1 280.387 2.320 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](O)c1ccc(F)cc1 ZINC000124354227 394837514 /nfs/dbraw/zinc/83/75/14/394837514.db2.gz IKPYWAYEWRAJCP-KNPMLCFXSA-N 2 1 280.387 2.320 20 0 CEADMP CCNC(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422868106 394839031 /nfs/dbraw/zinc/83/90/31/394839031.db2.gz ULGLBKDUHFJATK-CVEARBPZSA-N 2 1 289.423 2.186 20 0 CEADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422868009 394839089 /nfs/dbraw/zinc/83/90/89/394839089.db2.gz UGTNMCMOKXEYCR-AWEZNQCLSA-N 2 1 292.423 2.108 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+]C1CC[NH+](C)CC1)CC2 ZINC000336291247 394840104 /nfs/dbraw/zinc/84/01/04/394840104.db2.gz SPELTCCWJHAAAX-HNNXBMFYSA-N 2 1 276.428 2.005 20 0 CEADMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423024673 394883438 /nfs/dbraw/zinc/88/34/38/394883438.db2.gz JZYHQZKLDKRASN-SOUVJXGZSA-N 2 1 263.429 2.222 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423024673 394883441 /nfs/dbraw/zinc/88/34/41/394883441.db2.gz JZYHQZKLDKRASN-SOUVJXGZSA-N 2 1 263.429 2.222 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422874829 394843739 /nfs/dbraw/zinc/84/37/39/394843739.db2.gz DIDNJKTWRJJOAO-OWCLPIDISA-N 3 1 267.461 2.229 20 0 CEADMP C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422874829 394843741 /nfs/dbraw/zinc/84/37/41/394843741.db2.gz DIDNJKTWRJJOAO-OWCLPIDISA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422874829 394843746 /nfs/dbraw/zinc/84/37/46/394843746.db2.gz DIDNJKTWRJJOAO-OWCLPIDISA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422877551 394844829 /nfs/dbraw/zinc/84/48/29/394844829.db2.gz RQEFHICURKASHP-YALNPMBYSA-N 2 1 276.424 2.129 20 0 CEADMP Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])[NH+]2CCCC2)o1 ZINC000422878219 394844971 /nfs/dbraw/zinc/84/49/71/394844971.db2.gz JNYMRQIKFMUUHH-OAGGEKHMSA-N 2 1 291.439 2.442 20 0 CEADMP C[C@H](O)C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422877548 394844989 /nfs/dbraw/zinc/84/49/89/394844989.db2.gz RQEFHICURKASHP-WTTBNOFXSA-N 2 1 276.424 2.129 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000415005346 394845056 /nfs/dbraw/zinc/84/50/56/394845056.db2.gz JFAUVKHNGSAQMW-YUMQZZPRSA-N 2 1 275.165 2.414 20 0 CEADMP COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422880230 394846775 /nfs/dbraw/zinc/84/67/75/394846775.db2.gz WOGCIROAKJLWEP-KFWWJZLASA-N 2 1 289.423 2.004 20 0 CEADMP COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422880234 394847141 /nfs/dbraw/zinc/84/71/41/394847141.db2.gz WOGCIROAKJLWEP-RBSFLKMASA-N 2 1 289.423 2.004 20 0 CEADMP Cc1nc(C)c(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000422889676 394852213 /nfs/dbraw/zinc/85/22/13/394852213.db2.gz QDGIHGDNQUONQZ-JOYOIKCWSA-N 2 1 253.415 2.033 20 0 CEADMP CC(C)c1nc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cs1 ZINC000422903874 394857568 /nfs/dbraw/zinc/85/75/68/394857568.db2.gz PGJXFANGXNXAPZ-AAEUAGOBSA-N 2 1 267.442 2.397 20 0 CEADMP C[C@H]([NH2+]CCCc1nccs1)c1c[nH+]ccc1N ZINC000422915630 394861961 /nfs/dbraw/zinc/86/19/61/394861961.db2.gz YUVLHEDKCXXZNT-JTQLQIEISA-N 2 1 262.382 2.234 20 0 CEADMP COC(=O)c1coc(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000130362175 394886487 /nfs/dbraw/zinc/88/64/87/394886487.db2.gz MCZBQVYWPMSKLA-UHFFFAOYSA-N 2 1 291.351 2.093 20 0 CEADMP COC(=O)c1coc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000130362175 394886488 /nfs/dbraw/zinc/88/64/88/394886488.db2.gz MCZBQVYWPMSKLA-UHFFFAOYSA-N 2 1 291.351 2.093 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423177971 394887398 /nfs/dbraw/zinc/88/73/98/394887398.db2.gz BJRZBWIYQUNPTL-ULQDDVLXSA-N 2 1 273.424 2.164 20 0 CEADMP CC(C)OC(=O)C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000415094859 394887751 /nfs/dbraw/zinc/88/77/51/394887751.db2.gz FSNAMEDLZDSYLX-INIZCTEOSA-N 2 1 290.407 2.411 20 0 CEADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000415097372 394889063 /nfs/dbraw/zinc/88/90/63/394889063.db2.gz DAKWKHHVRNXNCB-HUUCEWRRSA-N 2 1 250.361 2.344 20 0 CEADMP CC(C)COc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415107596 394892423 /nfs/dbraw/zinc/89/24/23/394892423.db2.gz JFMBAVIYKJPJCW-KRWDZBQOSA-N 2 1 292.423 2.271 20 0 CEADMP CC(C)COc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415107596 394892425 /nfs/dbraw/zinc/89/24/25/394892425.db2.gz JFMBAVIYKJPJCW-KRWDZBQOSA-N 2 1 292.423 2.271 20 0 CEADMP C[N@@H+]1CC[C@H](NCC(F)(F)C[NH3+])C[C@H]1c1ccccc1 ZINC000423344588 394893136 /nfs/dbraw/zinc/89/31/36/394893136.db2.gz NDPXYIGDXPGDHD-KBPBESRZSA-N 2 1 283.366 2.006 20 0 CEADMP C[N@H+]1CC[C@H](NCC(F)(F)C[NH3+])C[C@H]1c1ccccc1 ZINC000423344588 394893138 /nfs/dbraw/zinc/89/31/38/394893138.db2.gz NDPXYIGDXPGDHD-KBPBESRZSA-N 2 1 283.366 2.006 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1C[NH3+] ZINC000415123144 394897946 /nfs/dbraw/zinc/89/79/46/394897946.db2.gz IZQZQKHVSFKLSD-TZMCWYRMSA-N 2 1 264.417 2.055 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1C[NH3+] ZINC000415123144 394897949 /nfs/dbraw/zinc/89/79/49/394897949.db2.gz IZQZQKHVSFKLSD-TZMCWYRMSA-N 2 1 264.417 2.055 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)CCO1 ZINC000415125522 394898073 /nfs/dbraw/zinc/89/80/73/394898073.db2.gz LJJLATDQZANCNE-LJISPDSOSA-N 2 1 254.418 2.108 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415130035 394900478 /nfs/dbraw/zinc/90/04/78/394900478.db2.gz PZHYOHLQZLHVSF-DOMZBBRYSA-N 2 1 275.396 2.062 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000415135837 394901251 /nfs/dbraw/zinc/90/12/51/394901251.db2.gz QXHXYFUHYOENET-QGZVFWFLSA-N 2 1 292.423 2.286 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000415135837 394901253 /nfs/dbraw/zinc/90/12/53/394901253.db2.gz QXHXYFUHYOENET-QGZVFWFLSA-N 2 1 292.423 2.286 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000423363972 394901440 /nfs/dbraw/zinc/90/14/40/394901440.db2.gz OKCNIKGVUSDCNC-TUVASFSCSA-N 2 1 276.428 2.034 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000133640572 394954136 /nfs/dbraw/zinc/95/41/36/394954136.db2.gz DGNUPNDHXMIVDT-XNJGSVPQSA-N 2 1 258.409 2.472 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423397577 394914533 /nfs/dbraw/zinc/91/45/33/394914533.db2.gz TXWRRRKYSNXTPX-XNJGSVPQSA-N 3 1 273.424 2.108 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000423397577 394914535 /nfs/dbraw/zinc/91/45/35/394914535.db2.gz TXWRRRKYSNXTPX-XNJGSVPQSA-N 2 1 273.424 2.108 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000423397577 394914538 /nfs/dbraw/zinc/91/45/38/394914538.db2.gz TXWRRRKYSNXTPX-XNJGSVPQSA-N 2 1 273.424 2.108 20 0 CEADMP N[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2ccccc21 ZINC000423421264 394918148 /nfs/dbraw/zinc/91/81/48/394918148.db2.gz JYLUNGYMJURWCT-BQGCOEIASA-N 2 1 273.424 2.486 20 0 CEADMP C[C@H]([NH3+])[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423462657 394927257 /nfs/dbraw/zinc/92/72/57/394927257.db2.gz KZCNEDMSOFDOQE-DARAHFNDSA-N 2 1 261.413 2.147 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000423472314 394928181 /nfs/dbraw/zinc/92/81/81/394928181.db2.gz QCGHMVNUJKQLHB-DGCLKSJQSA-N 2 1 264.369 2.236 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423479519 394928931 /nfs/dbraw/zinc/92/89/31/394928931.db2.gz VPDPOJPJAODIEB-PWSUYJOCSA-N 2 1 275.396 2.304 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1ccc(OC)c2F ZINC000423484631 394931014 /nfs/dbraw/zinc/93/10/14/394931014.db2.gz YQODHGATLPXFNW-JOYOIKCWSA-N 2 1 252.333 2.149 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423487113 394932372 /nfs/dbraw/zinc/93/23/72/394932372.db2.gz UZQWWRRRLRFORO-AVGNSLFASA-N 2 1 276.371 2.026 20 0 CEADMP Cc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CC2)cc1 ZINC000423492709 394935466 /nfs/dbraw/zinc/93/54/66/394935466.db2.gz OILSDSWUWVYJCY-IRXDYDNUSA-N 2 1 274.408 2.414 20 0 CEADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)s1 ZINC000423502503 394938325 /nfs/dbraw/zinc/93/83/25/394938325.db2.gz FBRNXSIOCREVQX-VXGBXAGGSA-N 2 1 268.426 2.340 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc2c(c1)CCC2 ZINC000423522733 394943620 /nfs/dbraw/zinc/94/36/20/394943620.db2.gz RNMVPPJBTRWUJJ-GUYCJALGSA-N 2 1 274.408 2.204 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423527430 394945812 /nfs/dbraw/zinc/94/58/12/394945812.db2.gz MLTKGAYJSYGVDP-NGHVJFNESA-N 2 1 291.483 2.070 20 0 CEADMP CCN1C[C@H](C)[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423527430 394945816 /nfs/dbraw/zinc/94/58/16/394945816.db2.gz MLTKGAYJSYGVDP-NGHVJFNESA-N 2 1 291.483 2.070 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cnccn2)C[C@H]1c1ccccc1 ZINC000340317930 394984175 /nfs/dbraw/zinc/98/41/75/394984175.db2.gz QTTKYPUGPDXHNL-WMZOPIPTSA-N 2 1 296.418 2.444 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cnccn2)C[C@H]1c1ccccc1 ZINC000340317930 394984178 /nfs/dbraw/zinc/98/41/78/394984178.db2.gz QTTKYPUGPDXHNL-WMZOPIPTSA-N 2 1 296.418 2.444 20 0 CEADMP CN(CC(=O)Nc1ccccc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152381487 394995301 /nfs/dbraw/zinc/99/53/01/394995301.db2.gz WFHYVYJBWXEISH-CYBMUJFWSA-N 2 1 293.386 2.038 20 0 CEADMP CN(C(=O)CC(C)(C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370816776 395015486 /nfs/dbraw/zinc/01/54/86/395015486.db2.gz BHVNQDFHTBOVMA-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000342688556 395019015 /nfs/dbraw/zinc/01/90/15/395019015.db2.gz CYCCEAKPMPPAQA-PMPSAXMXSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@H](C(=O)N[C@@H](C)CCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000423690015 394967038 /nfs/dbraw/zinc/96/70/38/394967038.db2.gz NPZJDTXJLGGALM-GOEBONIOSA-N 2 1 291.439 2.141 20 0 CEADMP CC[NH2+]Cc1cccc(NC(=O)NCC[N@@H+](C)C(C)C)c1 ZINC000415909937 394975624 /nfs/dbraw/zinc/97/56/24/394975624.db2.gz UXBBMSILSUEFOI-UHFFFAOYSA-N 2 1 292.427 2.258 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000415921679 394978848 /nfs/dbraw/zinc/97/88/48/394978848.db2.gz MOQTYBJMZYSONM-OCCSQVGLSA-N 2 1 290.411 2.010 20 0 CEADMP C(CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)C[NH+]1CCCCC1 ZINC000372900378 395048368 /nfs/dbraw/zinc/04/83/68/395048368.db2.gz BXWBHLBTBQCYOX-KURKYZTESA-N 2 1 291.483 2.279 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCSC1 ZINC000162670742 395078170 /nfs/dbraw/zinc/07/81/70/395078170.db2.gz MLINMNFPPVCCLL-CYBMUJFWSA-N 2 1 253.415 2.409 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCSC1 ZINC000162670742 395078172 /nfs/dbraw/zinc/07/81/72/395078172.db2.gz MLINMNFPPVCCLL-CYBMUJFWSA-N 2 1 253.415 2.409 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000163011755 395079436 /nfs/dbraw/zinc/07/94/36/395079436.db2.gz UADVTAZYMPMZJC-HUUCEWRRSA-N 2 1 262.401 2.421 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000163011755 395079440 /nfs/dbraw/zinc/07/94/40/395079440.db2.gz UADVTAZYMPMZJC-HUUCEWRRSA-N 2 1 262.401 2.421 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000163011755 395079442 /nfs/dbraw/zinc/07/94/42/395079442.db2.gz UADVTAZYMPMZJC-HUUCEWRRSA-N 2 1 262.401 2.421 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000163011755 395079445 /nfs/dbraw/zinc/07/94/45/395079445.db2.gz UADVTAZYMPMZJC-HUUCEWRRSA-N 2 1 262.401 2.421 20 0 CEADMP Cn1nccc1C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000163090552 395080561 /nfs/dbraw/zinc/08/05/61/395080561.db2.gz MTQYSRSJTXSBOB-OAHLLOKOSA-N 2 1 276.428 2.084 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc2c1OCC2 ZINC000427124511 395092956 /nfs/dbraw/zinc/09/29/56/395092956.db2.gz SIZXTIPNFHVNMX-DLBZAZTESA-N 2 1 286.419 2.238 20 0 CEADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000343710352 395043337 /nfs/dbraw/zinc/04/33/37/395043337.db2.gz LFHYXRDHXJAVAW-VNQPRFMTSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)(C)[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000343710352 395043341 /nfs/dbraw/zinc/04/33/41/395043341.db2.gz LFHYXRDHXJAVAW-VNQPRFMTSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)(C)[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000343710352 395043342 /nfs/dbraw/zinc/04/33/42/395043342.db2.gz LFHYXRDHXJAVAW-VNQPRFMTSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000343709587 395043923 /nfs/dbraw/zinc/04/39/23/395043923.db2.gz LFHYXRDHXJAVAW-NUEKZKHPSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)(C)[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000343709587 395043924 /nfs/dbraw/zinc/04/39/24/395043924.db2.gz LFHYXRDHXJAVAW-NUEKZKHPSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)(C)[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000343709587 395043928 /nfs/dbraw/zinc/04/39/28/395043928.db2.gz LFHYXRDHXJAVAW-NUEKZKHPSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)=CC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1nccn1C ZINC000343827096 395045237 /nfs/dbraw/zinc/04/52/37/395045237.db2.gz QOJGDDRMCUEEQO-HUUCEWRRSA-N 2 1 294.418 2.231 20 0 CEADMP Cc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)c2ccccc2[nH+]1 ZINC000347848199 395130630 /nfs/dbraw/zinc/13/06/30/395130630.db2.gz ATSBEQKWFJOUOG-AWEZNQCLSA-N 2 1 283.375 2.064 20 0 CEADMP Cc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)c2ccccc2[nH+]1 ZINC000347848199 395130634 /nfs/dbraw/zinc/13/06/34/395130634.db2.gz ATSBEQKWFJOUOG-AWEZNQCLSA-N 2 1 283.375 2.064 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000494651011 395130965 /nfs/dbraw/zinc/13/09/65/395130965.db2.gz AEBIBYGBBWIRRL-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000177263826 395149391 /nfs/dbraw/zinc/14/93/91/395149391.db2.gz AIJBKIPGKCBWPT-MJBXVCDLSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@@H+](CCOC1CCCCCC1)C1CC[NH2+]CC1 ZINC000430610665 395165084 /nfs/dbraw/zinc/16/50/84/395165084.db2.gz LFKILQQBIBQTPH-UHFFFAOYSA-N 2 1 254.418 2.410 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000380934933 395169873 /nfs/dbraw/zinc/16/98/73/395169873.db2.gz WJPNJWYQWSKPIS-HOCLYGCPSA-N 2 1 262.397 2.435 20 0 CEADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CC[NH2+]C1 ZINC000382762044 395183579 /nfs/dbraw/zinc/18/35/79/395183579.db2.gz KWQJTNVUDXZOLB-ZWKOTPCHSA-N 2 1 287.451 2.050 20 0 CEADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000383429827 395186545 /nfs/dbraw/zinc/18/65/45/395186545.db2.gz VZZIEAFOPQIHGV-YCPHGPKFSA-N 2 1 272.392 2.237 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CC[C@H]1CCOC1 ZINC000438181646 395209313 /nfs/dbraw/zinc/20/93/13/395209313.db2.gz VGVCOVODYMNNDY-LSDHHAIUSA-N 2 1 254.418 2.267 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CC[C@H]1CCOC1 ZINC000438181646 395209317 /nfs/dbraw/zinc/20/93/17/395209317.db2.gz VGVCOVODYMNNDY-LSDHHAIUSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]CC[C@H]1CCOC1 ZINC000438206178 395212232 /nfs/dbraw/zinc/21/22/32/395212232.db2.gz IPQNBTPKWKCGSP-FZKCQIBNSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]CC[C@H]1CCOC1 ZINC000438206178 395212237 /nfs/dbraw/zinc/21/22/37/395212237.db2.gz IPQNBTPKWKCGSP-FZKCQIBNSA-N 2 1 268.445 2.369 20 0 CEADMP CC(C)n1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C[C@H]2C)cn1 ZINC000397299531 395220827 /nfs/dbraw/zinc/22/08/27/395220827.db2.gz CZAZCKNIMBHHNH-UMVBOHGHSA-N 2 1 264.417 2.269 20 0 CEADMP CC(C)n1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C[C@H]2C)cn1 ZINC000397299531 395220832 /nfs/dbraw/zinc/22/08/32/395220832.db2.gz CZAZCKNIMBHHNH-UMVBOHGHSA-N 2 1 264.417 2.269 20 0 CEADMP Cc1ncc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)s1 ZINC000397312590 395223200 /nfs/dbraw/zinc/22/32/00/395223200.db2.gz PHAVDQJRZPPEIU-NHCYSSNCSA-N 2 1 253.415 2.257 20 0 CEADMP c1ccc(N2CCC[N@H+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420323744 395326211 /nfs/dbraw/zinc/32/62/11/395326211.db2.gz UTIVUARQKFSSCN-MRXNPFEDSA-N 2 1 273.424 2.198 20 0 CEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000420295777 395301850 /nfs/dbraw/zinc/30/18/50/395301850.db2.gz CRXAWKNQQZVNOP-YOEHRIQHSA-N 2 1 258.409 2.475 20 0 CEADMP COc1ccc([C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420296732 395302221 /nfs/dbraw/zinc/30/22/21/395302221.db2.gz DRFCTLFSCRIZEM-ZBFHGGJFSA-N 2 1 274.408 2.484 20 0 CEADMP CC(C)(C)C[N@@H+](CCCO)CC[C@@H]1CCC[NH2+]C1 ZINC000420302105 395307540 /nfs/dbraw/zinc/30/75/40/395307540.db2.gz MDACMNYYSGYWQP-AWEZNQCLSA-N 2 1 256.434 2.107 20 0 CEADMP Cc1ccc(C[N@@H+](CCN2CC[NH2+]CC2)C2CC2)cc1C ZINC000420301258 395308093 /nfs/dbraw/zinc/30/80/93/395308093.db2.gz LFYVBZWSMSLCAV-UHFFFAOYSA-N 2 1 287.451 2.173 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000420303863 395309075 /nfs/dbraw/zinc/30/90/75/395309075.db2.gz NTTAJJFRNDDPSA-VNHYZAJKSA-N 2 1 262.397 2.325 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@@H]21 ZINC000420304041 395309274 /nfs/dbraw/zinc/30/92/74/395309274.db2.gz IJPNIWVMMLCFKW-APIJFGDWSA-N 2 1 252.402 2.005 20 0 CEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](F)CC)[C@H](C)C1 ZINC000440539747 395326917 /nfs/dbraw/zinc/32/69/17/395326917.db2.gz VHUVUQHRKNWRTL-ILXRZTDVSA-N 2 1 274.424 2.461 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](F)CC)[C@H](C)C1 ZINC000440539747 395326922 /nfs/dbraw/zinc/32/69/22/395326922.db2.gz VHUVUQHRKNWRTL-ILXRZTDVSA-N 2 1 274.424 2.461 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)C1CCOCC1 ZINC000353917657 395311713 /nfs/dbraw/zinc/31/17/13/395311713.db2.gz RVOKOFTZAIVWGB-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420310553 395314411 /nfs/dbraw/zinc/31/44/11/395314411.db2.gz VDUYWBLVKXKLKK-BBWFWOEESA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc4cccnc4s3)C[C@@H]21 ZINC000420311251 395314637 /nfs/dbraw/zinc/31/46/37/395314637.db2.gz QRVWMLAPGHOUER-SDDRHHMPSA-N 2 1 288.420 2.251 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc4cccnc4s3)C[C@@H]21 ZINC000420311251 395314644 /nfs/dbraw/zinc/31/46/44/395314644.db2.gz QRVWMLAPGHOUER-SDDRHHMPSA-N 2 1 288.420 2.251 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1Cc2ccccc2C1 ZINC000420316130 395319615 /nfs/dbraw/zinc/31/96/15/395319615.db2.gz MMLJCNDZUQLQDJ-CQSZACIVSA-N 2 1 258.409 2.475 20 0 CEADMP COC(=O)[C@H](c1ccccc1C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420315516 395319824 /nfs/dbraw/zinc/31/98/24/395319824.db2.gz RTGPDXYADCHIQO-ZBFHGGJFSA-N 2 1 290.407 2.270 20 0 CEADMP c1ccc([C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420317093 395320203 /nfs/dbraw/zinc/32/02/03/395320203.db2.gz NBNLXWDSSNWKQG-GOEBONIOSA-N 2 1 260.381 2.060 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420315633 395320228 /nfs/dbraw/zinc/32/02/28/395320228.db2.gz LAHKGLYEROORKS-HZPDHXFCSA-N 3 1 267.461 2.040 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000296584399 395322737 /nfs/dbraw/zinc/32/27/37/395322737.db2.gz XEFURNGWLXMIDW-CQSZACIVSA-N 2 1 291.439 2.143 20 0 CEADMP CC(C)n1nccc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352524511 395261319 /nfs/dbraw/zinc/26/13/19/395261319.db2.gz BLVDGPLYVGUWGJ-CYBMUJFWSA-N 2 1 250.390 2.167 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352524511 395261325 /nfs/dbraw/zinc/26/13/25/395261325.db2.gz BLVDGPLYVGUWGJ-CYBMUJFWSA-N 2 1 250.390 2.167 20 0 CEADMP COC(=O)CC1(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000440794999 395357962 /nfs/dbraw/zinc/35/79/62/395357962.db2.gz SJNDDYJFMFKXFD-HNNXBMFYSA-N 2 1 294.439 2.138 20 0 CEADMP COC(=O)CC1(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000440794999 395357963 /nfs/dbraw/zinc/35/79/63/395357963.db2.gz SJNDDYJFMFKXFD-HNNXBMFYSA-N 2 1 294.439 2.138 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000420373015 395358847 /nfs/dbraw/zinc/35/88/47/395358847.db2.gz MRQOKVHTHSKGNP-KRWDZBQOSA-N 2 1 289.423 2.283 20 0 CEADMP COCC[C@H]1CCCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420376676 395361848 /nfs/dbraw/zinc/36/18/48/395361848.db2.gz QYIJAUAHPQUMJW-HUUCEWRRSA-N 2 1 254.418 2.125 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420376145 395362526 /nfs/dbraw/zinc/36/25/26/395362526.db2.gz AGZXQVCNICWZPI-LSDHHAIUSA-N 2 1 282.428 2.184 20 0 CEADMP CC[N@@H+](Cc1nc(C)ccc1O)[C@@H]1CCC[NH2+]CC1 ZINC000435371937 395366836 /nfs/dbraw/zinc/36/68/36/395366836.db2.gz PCAVUUNCDFAKOW-CYBMUJFWSA-N 2 1 263.385 2.060 20 0 CEADMP CCc1cccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420390717 395367850 /nfs/dbraw/zinc/36/78/50/395367850.db2.gz ZRVWRTRTLGTVNL-QGZVFWFLSA-N 2 1 299.422 2.136 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420399289 395371348 /nfs/dbraw/zinc/37/13/48/395371348.db2.gz NSDVCLMHOCFGQQ-HOTGVXAUSA-N 2 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420399289 395371354 /nfs/dbraw/zinc/37/13/54/395371354.db2.gz NSDVCLMHOCFGQQ-HOTGVXAUSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420399289 395371356 /nfs/dbraw/zinc/37/13/56/395371356.db2.gz NSDVCLMHOCFGQQ-HOTGVXAUSA-N 3 1 276.428 2.046 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000420405477 395372455 /nfs/dbraw/zinc/37/24/55/395372455.db2.gz MYRNSVLFEVJCCV-BIMULSAOSA-N 2 1 254.761 2.107 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443345949 395399411 /nfs/dbraw/zinc/39/94/11/395399411.db2.gz TXEVHWZCTSCZEQ-OFQRWUPVSA-N 2 1 279.428 2.453 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443345949 395399414 /nfs/dbraw/zinc/39/94/14/395399414.db2.gz TXEVHWZCTSCZEQ-OFQRWUPVSA-N 2 1 279.428 2.453 20 0 CEADMP CC[N@@H+](CCC[NH2+]C)CC1CCN(c2ccccn2)CC1 ZINC000435880378 395394262 /nfs/dbraw/zinc/39/42/62/395394262.db2.gz OXROWGFQBXUDRU-UHFFFAOYSA-N 2 1 290.455 2.229 20 0 CEADMP CCC[N@H+](CCC[NH2+]C)C[C@H]1COc2ccccc2O1 ZINC000435884455 395394571 /nfs/dbraw/zinc/39/45/71/395394571.db2.gz SMPRRUJALQNKDK-AWEZNQCLSA-N 2 1 278.396 2.148 20 0 CEADMP CCC[N@@H+](CCC[NH2+]C)C[C@H]1COc2ccccc2O1 ZINC000435884455 395394575 /nfs/dbraw/zinc/39/45/75/395394575.db2.gz SMPRRUJALQNKDK-AWEZNQCLSA-N 2 1 278.396 2.148 20 0 CEADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442780198 395394821 /nfs/dbraw/zinc/39/48/21/395394821.db2.gz NPMKQGVYXGCALG-WOPDTQHZSA-N 2 1 295.814 2.336 20 0 CEADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442780198 395394825 /nfs/dbraw/zinc/39/48/25/395394825.db2.gz NPMKQGVYXGCALG-WOPDTQHZSA-N 2 1 295.814 2.336 20 0 CEADMP CCCCOCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326713 395329441 /nfs/dbraw/zinc/32/94/41/395329441.db2.gz KMPLMXYOFNLBKJ-GJZGRUSLSA-N 2 1 254.418 2.125 20 0 CEADMP CCCCc1noc([C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000420334936 395332460 /nfs/dbraw/zinc/33/24/60/395332460.db2.gz LNGMZDDWBUTXOE-MELADBBJSA-N 2 1 292.427 2.405 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@H]1CCCCO1 ZINC000420334321 395333223 /nfs/dbraw/zinc/33/32/23/395333223.db2.gz UEGKWTCPIAPZMQ-OWCLPIDISA-N 2 1 266.429 2.267 20 0 CEADMP C[N@@H+](CCCOc1ccc(C(C)(C)C)cc1)C[C@H](O)C[NH3+] ZINC000420349055 395339172 /nfs/dbraw/zinc/33/91/72/395339172.db2.gz BPBNIVVOQAADDA-OAHLLOKOSA-N 2 1 294.439 2.004 20 0 CEADMP CCOC(=O)CCCCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420360703 395346355 /nfs/dbraw/zinc/34/63/55/395346355.db2.gz HIZWIJJHKAIPMT-UMVBOHGHSA-N 2 1 270.417 2.086 20 0 CEADMP C[C@@H]([NH3+])C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000420364915 395352273 /nfs/dbraw/zinc/35/22/73/395352273.db2.gz RMOGZZOQVAFHHZ-GFCCVEGCSA-N 2 1 266.360 2.154 20 0 CEADMP C[C@@H]([NH3+])C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000420364915 395352276 /nfs/dbraw/zinc/35/22/76/395352276.db2.gz RMOGZZOQVAFHHZ-GFCCVEGCSA-N 2 1 266.360 2.154 20 0 CEADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000444174491 395419913 /nfs/dbraw/zinc/41/99/13/395419913.db2.gz XJYFZFHPTHUUGA-XJKSGUPXSA-N 2 1 287.407 2.361 20 0 CEADMP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000355359962 395421113 /nfs/dbraw/zinc/42/11/13/395421113.db2.gz AKIFKEAVIQXNTL-CQSZACIVSA-N 2 1 287.411 2.215 20 0 CEADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000444622452 395441007 /nfs/dbraw/zinc/44/10/07/395441007.db2.gz QACTVUUATSZYCU-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566245561 395506979 /nfs/dbraw/zinc/50/69/79/395506979.db2.gz VEYPKXXQPRJWEQ-KBXCAEBGSA-N 3 1 283.419 2.193 20 0 CEADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566245561 395506980 /nfs/dbraw/zinc/50/69/80/395506980.db2.gz VEYPKXXQPRJWEQ-KBXCAEBGSA-N 2 1 283.419 2.193 20 0 CEADMP COC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000446749533 395498096 /nfs/dbraw/zinc/49/80/96/395498096.db2.gz BCQXZHZDICEAHG-CZUORRHYSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000566158625 395502955 /nfs/dbraw/zinc/50/29/55/395502955.db2.gz OMRXNZBGQYGFBB-RRFJBIMHSA-N 2 1 283.460 2.131 20 0 CEADMP CC(C)[C@@H]1[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1(C)C ZINC000573625599 395612619 /nfs/dbraw/zinc/61/26/19/395612619.db2.gz OPSPQIYTLICYSS-KBPBESRZSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1(C)C ZINC000573625599 395612622 /nfs/dbraw/zinc/61/26/22/395612622.db2.gz OPSPQIYTLICYSS-KBPBESRZSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[C@@H]1[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1(C)C ZINC000573625599 395612623 /nfs/dbraw/zinc/61/26/23/395612623.db2.gz OPSPQIYTLICYSS-KBPBESRZSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[C@@H]1[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1(C)C ZINC000573625599 395612626 /nfs/dbraw/zinc/61/26/26/395612626.db2.gz OPSPQIYTLICYSS-KBPBESRZSA-N 2 1 256.434 2.054 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451414779 395614742 /nfs/dbraw/zinc/61/47/42/395614742.db2.gz DPRKPBDHODYATH-ARFHVFGLSA-N 2 1 277.412 2.207 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451414779 395614745 /nfs/dbraw/zinc/61/47/45/395614745.db2.gz DPRKPBDHODYATH-ARFHVFGLSA-N 2 1 277.412 2.207 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451418593 395615082 /nfs/dbraw/zinc/61/50/82/395615082.db2.gz JNXMTPBOBRIYBC-QKPAOTATSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451418593 395615084 /nfs/dbraw/zinc/61/50/84/395615084.db2.gz JNXMTPBOBRIYBC-QKPAOTATSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451418593 395615086 /nfs/dbraw/zinc/61/50/86/395615086.db2.gz JNXMTPBOBRIYBC-QKPAOTATSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCC[NH+]1CCC1 ZINC000568236262 395552467 /nfs/dbraw/zinc/55/24/67/395552467.db2.gz GAWVGNOZTWMCNK-AWEZNQCLSA-N 2 1 275.396 2.089 20 0 CEADMP CC1CCC(O)(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000568754670 395570096 /nfs/dbraw/zinc/57/00/96/395570096.db2.gz NPCLFKHKUSNKNU-PCKAHOCUSA-N 2 1 268.445 2.249 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC2(CCCC2)[C@H]1C(C)C ZINC000569000647 395571625 /nfs/dbraw/zinc/57/16/25/395571625.db2.gz LZTTWYIXYSXURJ-HUUCEWRRSA-N 2 1 268.445 2.200 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC2(CCCC2)[C@H]1C(C)C ZINC000569000647 395571627 /nfs/dbraw/zinc/57/16/27/395571627.db2.gz LZTTWYIXYSXURJ-HUUCEWRRSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC2(CCCC2)[C@H]1C(C)C ZINC000569000647 395571628 /nfs/dbraw/zinc/57/16/28/395571628.db2.gz LZTTWYIXYSXURJ-HUUCEWRRSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC2(CCCC2)[C@H]1C(C)C ZINC000569000647 395571632 /nfs/dbraw/zinc/57/16/32/395571632.db2.gz LZTTWYIXYSXURJ-HUUCEWRRSA-N 2 1 268.445 2.200 20 0 CEADMP CCn1c2ccccc2nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000572879669 395592665 /nfs/dbraw/zinc/59/26/65/395592665.db2.gz RDVAABPWSDPTNO-GASCZTMLSA-N 2 1 298.434 2.488 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451534128 395621770 /nfs/dbraw/zinc/62/17/70/395621770.db2.gz MRHYOGMJGFBYCY-QGZVFWFLSA-N 2 1 295.471 2.053 20 0 CEADMP CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451534128 395621772 /nfs/dbraw/zinc/62/17/72/395621772.db2.gz MRHYOGMJGFBYCY-QGZVFWFLSA-N 2 1 295.471 2.053 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451534128 395621774 /nfs/dbraw/zinc/62/17/74/395621774.db2.gz MRHYOGMJGFBYCY-QGZVFWFLSA-N 2 1 295.471 2.053 20 0 CEADMP CCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451534128 395621776 /nfs/dbraw/zinc/62/17/76/395621776.db2.gz MRHYOGMJGFBYCY-QGZVFWFLSA-N 2 1 295.471 2.053 20 0 CEADMP CCCC[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451534128 395621778 /nfs/dbraw/zinc/62/17/78/395621778.db2.gz MRHYOGMJGFBYCY-QGZVFWFLSA-N 2 1 295.471 2.053 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451700497 395624030 /nfs/dbraw/zinc/62/40/30/395624030.db2.gz NUJNIDPQXLDBSZ-PMPSAXMXSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451700497 395624032 /nfs/dbraw/zinc/62/40/32/395624032.db2.gz NUJNIDPQXLDBSZ-PMPSAXMXSA-N 2 1 268.445 2.201 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccccc3)nc2)CC[NH2+]1 ZINC000574619868 395633486 /nfs/dbraw/zinc/63/34/86/395633486.db2.gz MNEIJNFSNJPBHF-CJNGLKHVSA-N 2 1 282.391 2.374 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc4c(s3)CCC4)C[C@@H]21 ZINC000647511815 395724054 /nfs/dbraw/zinc/72/40/54/395724054.db2.gz IJNVHEOJGSETIA-GRYCIOLGSA-N 2 1 277.437 2.191 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc4c(s3)CCC4)C[C@@H]21 ZINC000647511815 395724056 /nfs/dbraw/zinc/72/40/56/395724056.db2.gz IJNVHEOJGSETIA-GRYCIOLGSA-N 2 1 277.437 2.191 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc4c(s3)CCC4)C[C@H]21 ZINC000647511816 395724395 /nfs/dbraw/zinc/72/43/95/395724395.db2.gz IJNVHEOJGSETIA-IJLUTSLNSA-N 2 1 277.437 2.191 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc4c(s3)CCC4)C[C@H]21 ZINC000647511816 395724397 /nfs/dbraw/zinc/72/43/97/395724397.db2.gz IJNVHEOJGSETIA-IJLUTSLNSA-N 2 1 277.437 2.191 20 0 CEADMP C[NH2+]C1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000647495254 395721050 /nfs/dbraw/zinc/72/10/50/395721050.db2.gz DFCZZVGWBCTVKN-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3cnccc32)CC[C@@H]1[NH3+] ZINC000647496285 395721497 /nfs/dbraw/zinc/72/14/97/395721497.db2.gz CTTZXTCELUBSOL-WBMJQRKESA-N 2 1 255.365 2.404 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)CC[C@@H]1[NH3+] ZINC000647498800 395722233 /nfs/dbraw/zinc/72/22/33/395722233.db2.gz RDOSHEBKZUSPEN-KBPBESRZSA-N 2 1 264.417 2.197 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)CC[C@@H]1[NH3+] ZINC000647498800 395722234 /nfs/dbraw/zinc/72/22/34/395722234.db2.gz RDOSHEBKZUSPEN-KBPBESRZSA-N 2 1 264.417 2.197 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(OCCOC)cc2)CC[C@@H]1[NH3+] ZINC000647499111 395722653 /nfs/dbraw/zinc/72/26/53/395722653.db2.gz ZSSXFGZXAFOHHC-RDJZCZTQSA-N 2 1 292.423 2.271 20 0 CEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000647549196 395732715 /nfs/dbraw/zinc/73/27/15/395732715.db2.gz MTUSWILVSHIKFH-RISCZKNCSA-N 2 1 252.789 2.470 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC(C)([NH3+])CC2)o1 ZINC000647530723 395727301 /nfs/dbraw/zinc/72/73/01/395727301.db2.gz BVHUZFAQKYTXAS-UHFFFAOYSA-N 2 1 288.395 2.302 20 0 CEADMP COc1cc(C)c(C[NH+]2CCC(C)([NH3+])CC2)c(C)n1 ZINC000647531192 395727324 /nfs/dbraw/zinc/72/73/24/395727324.db2.gz GGNQHHDTIHFMPK-UHFFFAOYSA-N 2 1 263.385 2.020 20 0 CEADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000647549481 395733425 /nfs/dbraw/zinc/73/34/25/395733425.db2.gz CRDUAFDOBAVBGN-XHSDSOJGSA-N 2 1 273.424 2.101 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000647550558 395733643 /nfs/dbraw/zinc/73/36/43/395733643.db2.gz XWFAASGOCOPCCZ-WBVHZDCISA-N 3 1 281.488 2.332 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ncccc1C(F)(F)F ZINC000647552332 395734159 /nfs/dbraw/zinc/73/41/59/395734159.db2.gz RUDGNODHVZSGHZ-RKDXNWHRSA-N 2 1 261.291 2.316 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1)CCOCC2 ZINC000647553170 395734319 /nfs/dbraw/zinc/73/43/19/395734319.db2.gz FUTAAKYWNNLTKQ-ILXRZTDVSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647789522 395754922 /nfs/dbraw/zinc/75/49/22/395754922.db2.gz GXFNTCGMBHBQBA-FQESAXDCSA-N 3 1 293.499 2.331 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647789522 395754923 /nfs/dbraw/zinc/75/49/23/395754923.db2.gz GXFNTCGMBHBQBA-FQESAXDCSA-N 3 1 293.499 2.331 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000647870872 395766215 /nfs/dbraw/zinc/76/62/15/395766215.db2.gz HYUMBOQNACYUBC-ZIAGYGMSSA-N 2 1 294.443 2.228 20 0 CEADMP COc1ccc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647872560 395766379 /nfs/dbraw/zinc/76/63/79/395766379.db2.gz AKMAHECDJWYTQT-XJKSGUPXSA-N 2 1 260.381 2.442 20 0 CEADMP C[C@@H]([NH3+])C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000647874217 395766917 /nfs/dbraw/zinc/76/69/17/395766917.db2.gz JBJNMXDKEIMWPK-CYBMUJFWSA-N 2 1 262.397 2.384 20 0 CEADMP COc1ccccc1[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647886650 395769082 /nfs/dbraw/zinc/76/90/82/395769082.db2.gz FPNRBIZPXMKMIZ-UONOGXRCSA-N 2 1 260.381 2.094 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCNCC12CCCCC2 ZINC000647895331 395770383 /nfs/dbraw/zinc/77/03/83/395770383.db2.gz BGPCPSDVKBBGDI-UHFFFAOYSA-N 2 1 279.472 2.374 20 0 CEADMP C(CC1CC[NH2+]CC1)CN1CC[NH2+]CC12CCCCC2 ZINC000647895331 395770384 /nfs/dbraw/zinc/77/03/84/395770384.db2.gz BGPCPSDVKBBGDI-UHFFFAOYSA-N 2 1 279.472 2.374 20 0 CEADMP CCCc1noc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647975803 395793378 /nfs/dbraw/zinc/79/33/78/395793378.db2.gz GDBNNLWHGYGDEE-UONOGXRCSA-N 2 1 292.427 2.234 20 0 CEADMP C(c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976810 395793560 /nfs/dbraw/zinc/79/35/60/395793560.db2.gz UNYFMPXVKWETGJ-ZIAGYGMSSA-N 2 1 290.411 2.159 20 0 CEADMP C(c1nc(C2CC2)no1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976810 395793562 /nfs/dbraw/zinc/79/35/62/395793562.db2.gz UNYFMPXVKWETGJ-ZIAGYGMSSA-N 2 1 290.411 2.159 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647986540 395795785 /nfs/dbraw/zinc/79/57/85/395795785.db2.gz DZBDEBUAQXMFDX-IAGOWNOFSA-N 3 1 279.472 2.088 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@H](CC)C2)C1 ZINC000648433272 395907863 /nfs/dbraw/zinc/90/78/63/395907863.db2.gz YAEDWNDSBSPMBU-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000648782690 395982557 /nfs/dbraw/zinc/98/25/57/395982557.db2.gz YRLGQWNFJIOANX-UONOGXRCSA-N 2 1 294.443 2.243 20 0 CEADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+](C)C)cc2F)CC[N@H+]1C ZINC000648929487 396021741 /nfs/dbraw/zinc/02/17/41/396021741.db2.gz MUEFHEIXLFFNBD-DGCLKSJQSA-N 2 1 293.386 2.166 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCC2CC[NH2+]CC2)C1 ZINC000649414006 396148022 /nfs/dbraw/zinc/14/80/22/396148022.db2.gz ATPVUVABVOLFSV-GOSISDBHSA-N 3 1 293.499 2.430 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414006 396148025 /nfs/dbraw/zinc/14/80/25/396148025.db2.gz ATPVUVABVOLFSV-GOSISDBHSA-N 3 1 293.499 2.430 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414006 396148026 /nfs/dbraw/zinc/14/80/26/396148026.db2.gz ATPVUVABVOLFSV-GOSISDBHSA-N 3 1 293.499 2.430 20 0 CEADMP Cc1cnc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000649418283 396149068 /nfs/dbraw/zinc/14/90/68/396149068.db2.gz VTEBZEDFHRVBSV-UONOGXRCSA-N 2 1 263.385 2.195 20 0 CEADMP Cc1cccc(C[NH+]2CCN(C[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000649472240 396161915 /nfs/dbraw/zinc/16/19/15/396161915.db2.gz IBJQFOXUCLHOBE-GOSISDBHSA-N 2 1 287.451 2.207 20 0 CEADMP Cc1cccc(C[NH+]2CCN(C[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000649472240 396161917 /nfs/dbraw/zinc/16/19/17/396161917.db2.gz IBJQFOXUCLHOBE-GOSISDBHSA-N 2 1 287.451 2.207 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000649566107 396191540 /nfs/dbraw/zinc/19/15/40/396191540.db2.gz CGKOCKOATQAYPL-DJIMGWMZSA-N 2 1 277.456 2.029 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000649566107 396191541 /nfs/dbraw/zinc/19/15/41/396191541.db2.gz CGKOCKOATQAYPL-DJIMGWMZSA-N 2 1 277.456 2.029 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000649566107 396191543 /nfs/dbraw/zinc/19/15/43/396191543.db2.gz CGKOCKOATQAYPL-DJIMGWMZSA-N 2 1 277.456 2.029 20 0 CEADMP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)[C@H](CC)CO1 ZINC000649718696 396238983 /nfs/dbraw/zinc/23/89/83/396238983.db2.gz DYDAHYYKWSXJIJ-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)[C@H](CC)CO1 ZINC000649718696 396238986 /nfs/dbraw/zinc/23/89/86/396238986.db2.gz DYDAHYYKWSXJIJ-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)[C@H](CC)CO1 ZINC000649718696 396238988 /nfs/dbraw/zinc/23/89/88/396238988.db2.gz DYDAHYYKWSXJIJ-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)[C@H](CC)CO1 ZINC000649718696 396238991 /nfs/dbraw/zinc/23/89/91/396238991.db2.gz DYDAHYYKWSXJIJ-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP C[C@H](CO)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000649803756 396261673 /nfs/dbraw/zinc/26/16/73/396261673.db2.gz PJYADLFHBOKNQE-GDBMZVCRSA-N 2 1 268.445 2.201 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CO[C@@H](C)C2)c1 ZINC000647179858 396431432 /nfs/dbraw/zinc/43/14/32/396431432.db2.gz SHMFJMDASNQDTJ-XJKSGUPXSA-N 2 1 262.397 2.405 20 0 CEADMP CC[C@@H](C)[C@@H](C)[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000154455013 289145988 /nfs/dbraw/zinc/14/59/88/289145988.db2.gz AXBQQWIRQSHUIR-HZPDHXFCSA-N 2 1 269.477 2.428 20 0 CEADMP C[C@@H]1C[N@@H+](CCCOCc2ccccc2)CC[C@H]1[NH3+] ZINC000309851932 400341748 /nfs/dbraw/zinc/34/17/48/400341748.db2.gz JTPFAZDQSATAQI-GDBMZVCRSA-N 2 1 262.397 2.262 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2([C@@H](C)CCO)CCC2)[C@H](C)C1 ZINC000344307639 400367224 /nfs/dbraw/zinc/36/72/24/400367224.db2.gz XJUODAFEDWURLJ-PMPSAXMXSA-N 2 1 282.472 2.495 20 0 CEADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000394542426 400549634 /nfs/dbraw/zinc/54/96/34/400549634.db2.gz UOTTZQHRXAPTQN-LJISPDSOSA-N 2 1 254.418 2.251 20 0 CEADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000394542426 400549638 /nfs/dbraw/zinc/54/96/38/400549638.db2.gz UOTTZQHRXAPTQN-LJISPDSOSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1nc(-c2ccccc2)no1 ZINC000574410349 400607265 /nfs/dbraw/zinc/60/72/65/400607265.db2.gz HMDSANGRDLVEPX-OCCSQVGLSA-N 2 1 286.379 2.091 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)nc1 ZINC000650708213 401000593 /nfs/dbraw/zinc/00/05/93/401000593.db2.gz VKQJPAVTEDVLPR-YQQAZPJKSA-N 2 1 289.423 2.108 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650711620 401002099 /nfs/dbraw/zinc/00/20/99/401002099.db2.gz ZOENPCBAEDIZBN-CXAGYDPISA-N 2 1 292.471 2.494 20 0 CEADMP CCO[C@@H]1C[N@@H+](C[C@@H](CC)c2ccccc2)C[C@H]1C[NH3+] ZINC000650714509 401004638 /nfs/dbraw/zinc/00/46/38/401004638.db2.gz JQRKWBOKWQCCSB-DJIMGWMZSA-N 2 1 276.424 2.476 20 0 CEADMP CN(C)c1ncc(C[NH2+]Cc2ccc(C[NH3+])cc2F)s1 ZINC000650718328 401007501 /nfs/dbraw/zinc/00/75/01/401007501.db2.gz HFIOUOWVDORAJN-UHFFFAOYSA-N 2 1 294.399 2.097 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000650720298 401009304 /nfs/dbraw/zinc/00/93/04/401009304.db2.gz KZTSBWMYLSQRRY-BBRMVZONSA-N 2 1 261.413 2.026 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2nccs2)C1 ZINC000650723048 401011777 /nfs/dbraw/zinc/01/17/77/401011777.db2.gz GVQZVTRUTGKELT-JHJVBQTASA-N 2 1 281.425 2.004 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2nccs2)C1 ZINC000650723048 401011784 /nfs/dbraw/zinc/01/17/84/401011784.db2.gz GVQZVTRUTGKELT-JHJVBQTASA-N 2 1 281.425 2.004 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)[C@@H]2CCC[C@H]21 ZINC000650755522 401033436 /nfs/dbraw/zinc/03/34/36/401033436.db2.gz GXMPACUZLFRMAP-BHYGNILZSA-N 3 1 291.414 2.247 20 0 CEADMP C[N@@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2F)[C@@H]2CCC[C@H]21 ZINC000650755522 401033447 /nfs/dbraw/zinc/03/34/47/401033447.db2.gz GXMPACUZLFRMAP-BHYGNILZSA-N 2 1 291.414 2.247 20 0 CEADMP C[N@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2F)[C@@H]2CCC[C@H]21 ZINC000650755522 401033456 /nfs/dbraw/zinc/03/34/56/401033456.db2.gz GXMPACUZLFRMAP-BHYGNILZSA-N 2 1 291.414 2.247 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000360011614 155187600 /nfs/dbraw/zinc/18/76/00/155187600.db2.gz PCHRUPMEBGWGCB-DJIMGWMZSA-N 2 1 281.488 2.427 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](COC)CC(C)(C)C)CC1 ZINC000651691450 401372623 /nfs/dbraw/zinc/37/26/23/401372623.db2.gz RNQASMFTUIZHPJ-OAHLLOKOSA-N 2 1 286.460 2.138 20 0 CEADMP COC[C@H](CC(C)(C)C)[NH2+]CCn1cc[nH+]c1C ZINC000651693436 401372745 /nfs/dbraw/zinc/37/27/45/401372745.db2.gz NVFQBTHHHOYBEH-ZDUSSCGKSA-N 2 1 253.390 2.232 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(O)cc1 ZINC000651866085 401406413 /nfs/dbraw/zinc/40/64/13/401406413.db2.gz UHLKPFKFEPBYEU-UHFFFAOYSA-N 2 1 250.386 2.460 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(O)cc1 ZINC000651866085 401406417 /nfs/dbraw/zinc/40/64/17/401406417.db2.gz UHLKPFKFEPBYEU-UHFFFAOYSA-N 2 1 250.386 2.460 20 0 CEADMP CCOCCC[N@H+]1CC[C@H](NCC(C)(C)[NH+](C)C)[C@H](C)C1 ZINC000152604669 286061869 /nfs/dbraw/zinc/06/18/69/286061869.db2.gz GFCRREVSVJKVMX-CVEARBPZSA-N 2 1 299.503 2.053 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000652338545 401489967 /nfs/dbraw/zinc/48/99/67/401489967.db2.gz VFESYHZVFAPYJV-QZTJIDSGSA-N 2 1 290.451 2.302 20 0 CEADMP CCCCOCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348277 401490505 /nfs/dbraw/zinc/49/05/05/401490505.db2.gz ZWRBVCSLEJPFMD-ARFHVFGLSA-N 2 1 284.444 2.021 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CCOC(C)(C)C)cc1 ZINC000652343713 401490970 /nfs/dbraw/zinc/49/09/70/401490970.db2.gz KCEPNTGMWMBFBI-OAHLLOKOSA-N 2 1 294.439 2.484 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCCCF)C2)C1 ZINC000652349178 401491551 /nfs/dbraw/zinc/49/15/51/401491551.db2.gz DXSXKNGXRJGRBT-RBSFLKMASA-N 2 1 272.408 2.345 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355384 401492700 /nfs/dbraw/zinc/49/27/00/401492700.db2.gz WVDUDMRNDFHTDR-XHDPSFHLSA-N 2 1 265.401 2.495 20 0 CEADMP CN(C)c1ncc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)s1 ZINC000360165679 155234259 /nfs/dbraw/zinc/23/42/59/155234259.db2.gz NIDYWVUBMXBSMU-UHFFFAOYSA-N 2 1 296.484 2.421 20 0 CEADMP CO[C@](C)([C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000414241390 286149111 /nfs/dbraw/zinc/14/91/11/286149111.db2.gz OOUDNNGKHBPAGX-MLGOLLRUSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@@H+](CCCc1ccncc1)C[C@H]1CCC[NH+](C)C1 ZINC000360438444 155297061 /nfs/dbraw/zinc/29/70/61/155297061.db2.gz RBTAIVICLVXYCF-MRXNPFEDSA-N 2 1 261.413 2.288 20 0 CEADMP C[NH+](CCCc1ccncc1)C[C@H]1CCC[N@H+](C)C1 ZINC000360438444 155297063 /nfs/dbraw/zinc/29/70/63/155297063.db2.gz RBTAIVICLVXYCF-MRXNPFEDSA-N 2 1 261.413 2.288 20 0 CEADMP C[NH+](CCCc1ccncc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000360438444 155297066 /nfs/dbraw/zinc/29/70/66/155297066.db2.gz RBTAIVICLVXYCF-MRXNPFEDSA-N 2 1 261.413 2.288 20 0 CEADMP Cc1c[nH+]ccc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000192714477 153214624 /nfs/dbraw/zinc/21/46/24/153214624.db2.gz NBVHTXMYPJXRJO-UHFFFAOYSA-N 2 1 277.412 2.185 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000194881154 153267728 /nfs/dbraw/zinc/26/77/28/153267728.db2.gz SLEANMBCUPEELB-KRWDZBQOSA-N 2 1 296.455 2.384 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc2ncccc2c1 ZINC000216053886 153292918 /nfs/dbraw/zinc/29/29/18/153292918.db2.gz LWOGHNNPBCSDRX-JSGCOSHPSA-N 2 1 255.365 2.404 20 0 CEADMP CC(C)n1cc(C[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000226239452 153329509 /nfs/dbraw/zinc/32/95/09/153329509.db2.gz AEHLIRJGOBMCSE-UHFFFAOYSA-N 2 1 264.417 2.430 20 0 CEADMP CCC[N@@H+](CC)CCNCc1cc(OC)cc(C)n1 ZINC000225911539 153330497 /nfs/dbraw/zinc/33/04/97/153330497.db2.gz OSGUNAOOJLTKIX-UHFFFAOYSA-N 2 1 265.401 2.220 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000226331533 153334680 /nfs/dbraw/zinc/33/46/80/153334680.db2.gz LQHTVYFWXYRXDM-XHSDSOJGSA-N 3 1 267.461 2.227 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000226331533 153334682 /nfs/dbraw/zinc/33/46/82/153334682.db2.gz LQHTVYFWXYRXDM-XHSDSOJGSA-N 3 1 267.461 2.227 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000226331533 153334683 /nfs/dbraw/zinc/33/46/83/153334683.db2.gz LQHTVYFWXYRXDM-XHSDSOJGSA-N 3 1 267.461 2.227 20 0 CEADMP Cc1cnn(C)c1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000352753018 154333419 /nfs/dbraw/zinc/33/34/19/154333419.db2.gz CDJZQQDVSOQECE-UHFFFAOYSA-N 2 1 266.433 2.327 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357078642 154373779 /nfs/dbraw/zinc/37/37/79/154373779.db2.gz RNMKCRACYFGWGJ-JKSUJKDBSA-N 2 1 274.408 2.224 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357078642 154373784 /nfs/dbraw/zinc/37/37/84/154373784.db2.gz RNMKCRACYFGWGJ-JKSUJKDBSA-N 2 1 274.408 2.224 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)OC)CC1)CC1CC1 ZINC000357082891 154377023 /nfs/dbraw/zinc/37/70/23/154377023.db2.gz KCBANWJTTLHLGZ-UHFFFAOYSA-N 2 1 296.455 2.384 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000359687679 155109907 /nfs/dbraw/zinc/10/99/07/155109907.db2.gz QIOCPZDNALJGCR-WMLDXEAASA-N 3 1 275.440 2.178 20 0 CEADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000359687679 155109916 /nfs/dbraw/zinc/10/99/16/155109916.db2.gz QIOCPZDNALJGCR-WMLDXEAASA-N 2 1 275.440 2.178 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC000359773031 155127457 /nfs/dbraw/zinc/12/74/57/155127457.db2.gz HQTIPQUKCUOMDI-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000359773031 155127458 /nfs/dbraw/zinc/12/74/58/155127458.db2.gz HQTIPQUKCUOMDI-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000359773031 155127460 /nfs/dbraw/zinc/12/74/60/155127460.db2.gz HQTIPQUKCUOMDI-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H](c1ccccc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363218294 156015235 /nfs/dbraw/zinc/01/52/35/156015235.db2.gz HLOAKRNKNCPULM-AEFFLSMTSA-N 2 1 287.451 2.459 20 0 CEADMP CC(C)CCOCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363559607 156030230 /nfs/dbraw/zinc/03/02/30/156030230.db2.gz GICMQGHPKBYUTH-IXDOHACOSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)CCOCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363559607 156030236 /nfs/dbraw/zinc/03/02/36/156030236.db2.gz GICMQGHPKBYUTH-IXDOHACOSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)CCOCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363559607 156030239 /nfs/dbraw/zinc/03/02/39/156030239.db2.gz GICMQGHPKBYUTH-IXDOHACOSA-N 2 1 280.456 2.465 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363950784 156052730 /nfs/dbraw/zinc/05/27/30/156052730.db2.gz QYERMDFFPJDAEL-KMFMINBZSA-N 2 1 289.423 2.462 20 0 CEADMP CCc1noc(C)c1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363950784 156052734 /nfs/dbraw/zinc/05/27/34/156052734.db2.gz QYERMDFFPJDAEL-KMFMINBZSA-N 2 1 289.423 2.462 20 0 CEADMP CCc1noc(C)c1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363950784 156052739 /nfs/dbraw/zinc/05/27/39/156052739.db2.gz QYERMDFFPJDAEL-KMFMINBZSA-N 2 1 289.423 2.462 20 0 CEADMP CCc1noc(C)c1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363950784 156052749 /nfs/dbraw/zinc/05/27/49/156052749.db2.gz QYERMDFFPJDAEL-KMFMINBZSA-N 2 1 289.423 2.462 20 0 CEADMP CC(C)n1cc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000366798968 156082549 /nfs/dbraw/zinc/08/25/49/156082549.db2.gz SUHXRXAOTAYUSC-ZDUSSCGKSA-N 2 1 273.384 2.013 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000367237298 156155539 /nfs/dbraw/zinc/15/55/39/156155539.db2.gz KHIYSNGHUCOAGH-LSDHHAIUSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000367237298 156155540 /nfs/dbraw/zinc/15/55/40/156155540.db2.gz KHIYSNGHUCOAGH-LSDHHAIUSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1ncccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000367472573 156192668 /nfs/dbraw/zinc/19/26/68/156192668.db2.gz PEDXHSFXGPJKIY-IKGGRYGDSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ncccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000367472573 156192656 /nfs/dbraw/zinc/19/26/56/156192656.db2.gz PEDXHSFXGPJKIY-IKGGRYGDSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ncccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000367472573 156192659 /nfs/dbraw/zinc/19/26/59/156192659.db2.gz PEDXHSFXGPJKIY-IKGGRYGDSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ncccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000367472573 156192664 /nfs/dbraw/zinc/19/26/64/156192664.db2.gz PEDXHSFXGPJKIY-IKGGRYGDSA-N 2 1 271.408 2.306 20 0 CEADMP c1nn2ccccc2c1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000367472336 156193021 /nfs/dbraw/zinc/19/30/21/156193021.db2.gz JEVMGDZKSQFAAH-JFIYKMOQSA-N 2 1 296.418 2.250 20 0 CEADMP c1nn2ccccc2c1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000367472336 156193026 /nfs/dbraw/zinc/19/30/26/156193026.db2.gz JEVMGDZKSQFAAH-JFIYKMOQSA-N 2 1 296.418 2.250 20 0 CEADMP c1nn2ccccc2c1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000367472336 156193031 /nfs/dbraw/zinc/19/30/31/156193031.db2.gz JEVMGDZKSQFAAH-JFIYKMOQSA-N 2 1 296.418 2.250 20 0 CEADMP c1nn2ccccc2c1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000367472336 156193036 /nfs/dbraw/zinc/19/30/36/156193036.db2.gz JEVMGDZKSQFAAH-JFIYKMOQSA-N 2 1 296.418 2.250 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(O)cc2)[C@H]2CCC[C@@H]21 ZINC000367629916 156218785 /nfs/dbraw/zinc/21/87/85/156218785.db2.gz BWNHODJQYWBRST-IKGGRYGDSA-N 2 1 274.408 2.397 20 0 CEADMP CCn1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000367687461 156226112 /nfs/dbraw/zinc/22/61/12/156226112.db2.gz NIPDNTLEULXKLT-INIZCTEOSA-N 2 1 276.428 2.067 20 0 CEADMP CC(C)CCOCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368351802 156324985 /nfs/dbraw/zinc/32/49/85/156324985.db2.gz KWJRULOTMCYULE-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368351802 156324991 /nfs/dbraw/zinc/32/49/91/156324991.db2.gz KWJRULOTMCYULE-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368351802 156324994 /nfs/dbraw/zinc/32/49/94/156324994.db2.gz KWJRULOTMCYULE-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC12CCOCC2 ZINC000369208191 156446331 /nfs/dbraw/zinc/44/63/31/156446331.db2.gz VQOQVCGPISOXOT-AWEZNQCLSA-N 2 1 263.385 2.130 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000373514421 156869846 /nfs/dbraw/zinc/86/98/46/156869846.db2.gz GORSFMMXABYYEA-JKSUJKDBSA-N 2 1 295.471 2.147 20 0 CEADMP CC[C@@H](O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374839600 157018978 /nfs/dbraw/zinc/01/89/78/157018978.db2.gz MZSSYDJTHJQPEQ-MRXNPFEDSA-N 2 1 277.412 2.001 20 0 CEADMP CC[C@@H](C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)[NH+](C)C ZINC000375235713 157066301 /nfs/dbraw/zinc/06/63/01/157066301.db2.gz BTQQJBWGJUFBKP-INIZCTEOSA-N 2 1 287.407 2.443 20 0 CEADMP C[N@@H+](C[C@H]1CC2(CCC2)C(=O)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375765590 157140809 /nfs/dbraw/zinc/14/08/09/157140809.db2.gz WSJFNJCYJDMPJX-IZGVIRRGSA-N 2 1 292.423 2.029 20 0 CEADMP C[NH+](C[C@H]1CC2(CCC2)C(=O)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375765590 157140811 /nfs/dbraw/zinc/14/08/11/157140811.db2.gz WSJFNJCYJDMPJX-IZGVIRRGSA-N 2 1 292.423 2.029 20 0 CEADMP C[NH+](C[C@H]1CC2(CCC2)C(=O)O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375765590 157140813 /nfs/dbraw/zinc/14/08/13/157140813.db2.gz WSJFNJCYJDMPJX-IZGVIRRGSA-N 2 1 292.423 2.029 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCO3)[C@H]2CCC[C@@H]21 ZINC000375852586 157153065 /nfs/dbraw/zinc/15/30/65/157153065.db2.gz NWVGITOGWIIUIS-ILXRZTDVSA-N 2 1 288.391 2.378 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCO3)[C@@H]2CCC[C@@H]21 ZINC000375852587 157154733 /nfs/dbraw/zinc/15/47/33/157154733.db2.gz NWVGITOGWIIUIS-KKUMJFAQSA-N 2 1 288.391 2.378 20 0 CEADMP CCn1nccc1CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000375873753 157156913 /nfs/dbraw/zinc/15/69/13/157156913.db2.gz JKFKVPBKXQBDQF-UHFFFAOYSA-N 2 1 276.428 2.006 20 0 CEADMP CCn1nccc1CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000375873753 157156917 /nfs/dbraw/zinc/15/69/17/157156917.db2.gz JKFKVPBKXQBDQF-UHFFFAOYSA-N 2 1 276.428 2.006 20 0 CEADMP CC(C)CC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375892470 157158140 /nfs/dbraw/zinc/15/81/40/157158140.db2.gz UYRRIALOSSHBDZ-MRXNPFEDSA-N 2 1 267.461 2.133 20 0 CEADMP COCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152887015 162304946 /nfs/dbraw/zinc/30/49/46/162304946.db2.gz IYYIJDZUMKTBDX-OAHLLOKOSA-N 2 1 291.439 2.103 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000168621182 162366094 /nfs/dbraw/zinc/36/60/94/162366094.db2.gz NFVZKBSARLWPMG-UKRRQHHQSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000168650790 162370406 /nfs/dbraw/zinc/37/04/06/162370406.db2.gz PVGGZZPJNMLXFP-HIFRSBDPSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000177060324 165186539 /nfs/dbraw/zinc/18/65/39/165186539.db2.gz UYFLBFKGNGICGX-OLZOCXBDSA-N 2 1 270.417 2.133 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000177060324 165186544 /nfs/dbraw/zinc/18/65/44/165186544.db2.gz UYFLBFKGNGICGX-OLZOCXBDSA-N 2 1 270.417 2.133 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)OC(C)(C)C)CC[NH+]1C ZINC000177060324 165186547 /nfs/dbraw/zinc/18/65/47/165186547.db2.gz UYFLBFKGNGICGX-OLZOCXBDSA-N 2 1 270.417 2.133 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)OC(C)(C)C)CC[NH+]1C ZINC000177060324 165186551 /nfs/dbraw/zinc/18/65/51/165186551.db2.gz UYFLBFKGNGICGX-OLZOCXBDSA-N 2 1 270.417 2.133 20 0 CEADMP COCCC[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000180740226 165322510 /nfs/dbraw/zinc/32/25/10/165322510.db2.gz LFWONCFRYFTDJJ-INIZCTEOSA-N 2 1 298.471 2.426 20 0 CEADMP Cc1ccc(C[NH+](CCO)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000181983189 165359914 /nfs/dbraw/zinc/35/99/14/165359914.db2.gz JMVUEGCIDZGCJK-QGZVFWFLSA-N 2 1 276.424 2.274 20 0 CEADMP Cc1ccc(C[NH+](CCO)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000181983189 165359916 /nfs/dbraw/zinc/35/99/16/165359916.db2.gz JMVUEGCIDZGCJK-QGZVFWFLSA-N 2 1 276.424 2.274 20 0 CEADMP Cc1ccc(C[N@@H+](CCO)CC[C@H]2CCC[NH+]2C)cc1 ZINC000181983189 165359917 /nfs/dbraw/zinc/35/99/17/165359917.db2.gz JMVUEGCIDZGCJK-QGZVFWFLSA-N 2 1 276.424 2.274 20 0 CEADMP Cc1ccc(C[N@H+](CCO)CC[C@H]2CCC[NH+]2C)cc1 ZINC000181983189 165359920 /nfs/dbraw/zinc/35/99/20/165359920.db2.gz JMVUEGCIDZGCJK-QGZVFWFLSA-N 2 1 276.424 2.274 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000565164822 298883234 /nfs/dbraw/zinc/88/32/34/298883234.db2.gz OCBVHJWFYJVKPT-SJORKVTESA-N 2 1 285.391 2.473 20 0 CEADMP Cc1c([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cnn1C ZINC000037167464 173001007 /nfs/dbraw/zinc/00/10/07/173001007.db2.gz BRLGDTRZXGHYLD-LBPRGKRZSA-N 2 1 264.417 2.252 20 0 CEADMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cnn1C ZINC000037167463 173001708 /nfs/dbraw/zinc/00/17/08/173001708.db2.gz BRLGDTRZXGHYLD-GFCCVEGCSA-N 2 1 264.417 2.252 20 0 CEADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H]1CCCCO1 ZINC000653873973 414767387 /nfs/dbraw/zinc/76/73/87/414767387.db2.gz YXSBWZUJZDOZJN-GJZGRUSLSA-N 2 1 265.401 2.290 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000404047930 414772248 /nfs/dbraw/zinc/77/22/48/414772248.db2.gz IEFKSTBKKJVKEA-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000662871830 414781201 /nfs/dbraw/zinc/78/12/01/414781201.db2.gz DYBXWWYVHRBIMX-RJPYNODJSA-N 2 1 287.407 2.061 20 0 CEADMP Cc1cccc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c1C ZINC000051889412 414747871 /nfs/dbraw/zinc/74/78/71/414747871.db2.gz WGPXELOATSFKOK-MRXNPFEDSA-N 2 1 273.424 2.035 20 0 CEADMP CCO[C@@H]1C[N@@H+]([C@H](C)c2ccccc2F)C[C@H]1C[NH3+] ZINC000405534408 414797204 /nfs/dbraw/zinc/79/72/04/414797204.db2.gz OGMVMCWUDBNSND-LALPHHSUSA-N 2 1 266.360 2.182 20 0 CEADMP CCO[C@@H]1C[N@H+]([C@H](C)c2ccccc2F)C[C@H]1C[NH3+] ZINC000405534408 414797207 /nfs/dbraw/zinc/79/72/07/414797207.db2.gz OGMVMCWUDBNSND-LALPHHSUSA-N 2 1 266.360 2.182 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2nc3c(s2)CCC3)C1 ZINC000657182608 414797437 /nfs/dbraw/zinc/79/74/37/414797437.db2.gz BOYHUAWIDNSCRM-GFCCVEGCSA-N 2 1 279.453 2.453 20 0 CEADMP Cn1nc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000657182818 414798277 /nfs/dbraw/zinc/79/82/77/414798277.db2.gz BVPFXBAAZXHXJT-AWEZNQCLSA-N 2 1 286.423 2.395 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657285019 414829976 /nfs/dbraw/zinc/82/99/76/414829976.db2.gz UWVJVAPZBSTXJA-ZDUSSCGKSA-N 2 1 296.463 2.028 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CC1CC1)CC1CCC1 ZINC000660460163 414832364 /nfs/dbraw/zinc/83/23/64/414832364.db2.gz XKSBQSJNLQUFJO-MRXNPFEDSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CC1CC1)CC1CCC1 ZINC000660460163 414832370 /nfs/dbraw/zinc/83/23/70/414832370.db2.gz XKSBQSJNLQUFJO-MRXNPFEDSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CC1CC1)CC1CCC1 ZINC000660460163 414832374 /nfs/dbraw/zinc/83/23/74/414832374.db2.gz XKSBQSJNLQUFJO-MRXNPFEDSA-N 2 1 268.445 2.200 20 0 CEADMP C[C@H](C[NH2+]Cc1cnn2c1CCC2)C[NH+]1CCCCC1 ZINC000657317227 414855229 /nfs/dbraw/zinc/85/52/29/414855229.db2.gz VRVPNWYCEBFQAC-CQSZACIVSA-N 2 1 276.428 2.041 20 0 CEADMP Cn1ncc(C2CCC2)c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657313033 414855439 /nfs/dbraw/zinc/85/54/39/414855439.db2.gz GEBYXRFSVKGBJD-LSDHHAIUSA-N 2 1 288.439 2.404 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657313033 414855444 /nfs/dbraw/zinc/85/54/44/414855444.db2.gz GEBYXRFSVKGBJD-LSDHHAIUSA-N 2 1 288.439 2.404 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657313033 414855446 /nfs/dbraw/zinc/85/54/46/414855446.db2.gz GEBYXRFSVKGBJD-LSDHHAIUSA-N 2 1 288.439 2.404 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NCc1cnc2n1CCC2 ZINC000657325896 414861626 /nfs/dbraw/zinc/86/16/26/414861626.db2.gz AEHRAMNJYFCJJD-UONOGXRCSA-N 2 1 276.428 2.039 20 0 CEADMP C[C@H](CN1CCC[C@H](C)C1)[NH2+]Cc1cnc2n1CCC2 ZINC000657325896 414861631 /nfs/dbraw/zinc/86/16/31/414861631.db2.gz AEHRAMNJYFCJJD-UONOGXRCSA-N 2 1 276.428 2.039 20 0 CEADMP Cc1ncsc1CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660497 414919344 /nfs/dbraw/zinc/91/93/44/414919344.db2.gz WFWRZOXVOBBFSP-OAHLLOKOSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660497 414919349 /nfs/dbraw/zinc/91/93/49/414919349.db2.gz WFWRZOXVOBBFSP-OAHLLOKOSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660497 414919354 /nfs/dbraw/zinc/91/93/54/414919354.db2.gz WFWRZOXVOBBFSP-OAHLLOKOSA-N 2 1 279.453 2.412 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660659939 414919822 /nfs/dbraw/zinc/91/98/22/414919822.db2.gz TWWCYTOHHLBLAY-QGZVFWFLSA-N 2 1 289.423 2.316 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660659939 414919826 /nfs/dbraw/zinc/91/98/26/414919826.db2.gz TWWCYTOHHLBLAY-QGZVFWFLSA-N 2 1 289.423 2.316 20 0 CEADMP Cc1ccc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)nc1 ZINC000660659160 414919864 /nfs/dbraw/zinc/91/98/64/414919864.db2.gz KZLSASDTZIHGRF-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP C([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCSC1 ZINC000663344437 414922026 /nfs/dbraw/zinc/92/20/26/414922026.db2.gz TWNPOKCZQQAZQG-LSDHHAIUSA-N 2 1 268.470 2.451 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662402 414923724 /nfs/dbraw/zinc/92/37/24/414923724.db2.gz JUKWOQYBTLJONT-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662402 414923726 /nfs/dbraw/zinc/92/37/26/414923726.db2.gz JUKWOQYBTLJONT-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662402 414923736 /nfs/dbraw/zinc/92/37/36/414923736.db2.gz JUKWOQYBTLJONT-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665114 414927097 /nfs/dbraw/zinc/92/70/97/414927097.db2.gz UGWYSPQFCXIYHG-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000657428745 414931062 /nfs/dbraw/zinc/93/10/62/414931062.db2.gz AGJUTYPCGRUJNL-UHFFFAOYSA-N 2 1 299.422 2.089 20 0 CEADMP C[C@@H](O)CCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678712 414932634 /nfs/dbraw/zinc/93/26/34/414932634.db2.gz ZJMJCSDHICNIFK-OAHLLOKOSA-N 2 1 276.424 2.402 20 0 CEADMP CCCn1nccc1C[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000657337000 414869127 /nfs/dbraw/zinc/86/91/27/414869127.db2.gz DLQMMKPODOGDLP-CQSZACIVSA-N 2 1 264.417 2.115 20 0 CEADMP CCCn1nccc1C[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000657337000 414869134 /nfs/dbraw/zinc/86/91/34/414869134.db2.gz DLQMMKPODOGDLP-CQSZACIVSA-N 2 1 264.417 2.115 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CO1 ZINC000657377995 414896733 /nfs/dbraw/zinc/89/67/33/414896733.db2.gz STPPJNRGEPCCQH-SCXOTVEISA-N 2 1 252.402 2.159 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CO1 ZINC000657377995 414896736 /nfs/dbraw/zinc/89/67/36/414896736.db2.gz STPPJNRGEPCCQH-SCXOTVEISA-N 2 1 252.402 2.159 20 0 CEADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(Br)cn1 ZINC000663497887 414972051 /nfs/dbraw/zinc/97/20/51/414972051.db2.gz HZIIFZBLIKTPBW-GFCCVEGCSA-N 2 1 286.217 2.307 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)CC[NH2+]C1 ZINC000663501113 414972815 /nfs/dbraw/zinc/97/28/15/414972815.db2.gz SEQYAOJQPJQGFO-CVEARBPZSA-N 2 1 260.381 2.139 20 0 CEADMP Cc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)c(-c2cnn(C)c2)c1 ZINC000663501133 414973272 /nfs/dbraw/zinc/97/32/72/414973272.db2.gz SPWQPOAKTKNUPD-UHFFFAOYSA-N 2 1 296.418 2.237 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CO1 ZINC000657500832 414977570 /nfs/dbraw/zinc/97/75/70/414977570.db2.gz SUFXIFXXJVQFCF-TVFCKZIOSA-N 2 1 288.435 2.489 20 0 CEADMP N[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@H]1F ZINC000663507603 414978043 /nfs/dbraw/zinc/97/80/43/414978043.db2.gz ZNKCHGKEIZUOHV-ZIAGYGMSSA-N 2 1 259.328 2.106 20 0 CEADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C)C[NH2+]C ZINC000663514393 414979413 /nfs/dbraw/zinc/97/94/13/414979413.db2.gz QWAXTUGBYDYSNM-TZMCWYRMSA-N 2 1 280.412 2.222 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccn1 ZINC000657535278 414991134 /nfs/dbraw/zinc/99/11/34/414991134.db2.gz LIQCIBVQYIAVHK-KFWWJZLASA-N 2 1 259.397 2.402 20 0 CEADMP CC[N@@H+](CCCNC(=O)C[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000653201022 414944644 /nfs/dbraw/zinc/94/46/44/414944644.db2.gz XFEWEJLFGZUFOH-OAHLLOKOSA-N 2 1 295.471 2.289 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000653200514 414944769 /nfs/dbraw/zinc/94/47/69/414944769.db2.gz GZLKPQWDYOTPKB-INIZCTEOSA-N 2 1 295.471 2.289 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCc2ccccc2CC1 ZINC000660735413 414950461 /nfs/dbraw/zinc/95/04/61/414950461.db2.gz QUBDEOAPKLDPCY-GOSISDBHSA-N 2 1 290.451 2.178 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCc2ccccc2CC1 ZINC000660735413 414950465 /nfs/dbraw/zinc/95/04/65/414950465.db2.gz QUBDEOAPKLDPCY-GOSISDBHSA-N 2 1 290.451 2.178 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCc2ccccc2CC1 ZINC000660735413 414950469 /nfs/dbraw/zinc/95/04/69/414950469.db2.gz QUBDEOAPKLDPCY-GOSISDBHSA-N 2 1 290.451 2.178 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466365 414961663 /nfs/dbraw/zinc/96/16/63/414961663.db2.gz RTZWFPQWJKMKEB-BMFZPTHFSA-N 2 1 266.429 2.123 20 0 CEADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CO1 ZINC000663466074 414962609 /nfs/dbraw/zinc/96/26/09/414962609.db2.gz NWYZCFAEAUQERH-CABCVRRESA-N 2 1 266.429 2.266 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C(C)C ZINC000663466917 414963573 /nfs/dbraw/zinc/96/35/73/414963573.db2.gz BGDWRADEJCBAII-JKSUJKDBSA-N 2 1 268.445 2.369 20 0 CEADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471797 414965403 /nfs/dbraw/zinc/96/54/03/414965403.db2.gz YHXIXEHATXMDEH-NFAWXSAZSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1cc(CO)cc(NCC2(C[NH+](C)C)CCCC2)[nH+]1 ZINC000663801167 415052514 /nfs/dbraw/zinc/05/25/14/415052514.db2.gz PGSSEORHUCIEBP-UHFFFAOYSA-N 2 1 277.412 2.416 20 0 CEADMP CCN(CCC[NH+]1CCCC1)c1cc(CO)cc(C)[nH+]1 ZINC000663842571 415069400 /nfs/dbraw/zinc/06/94/00/415069400.db2.gz WINYQTBYUGWFDO-UHFFFAOYSA-N 2 1 277.412 2.195 20 0 CEADMP FCC1(CF)CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000657830730 415096983 /nfs/dbraw/zinc/09/69/83/415096983.db2.gz TXQMZUAZVYLPJO-UHFFFAOYSA-N 2 1 258.356 2.291 20 0 CEADMP OC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC(F)(F)CC1 ZINC000657778685 415078249 /nfs/dbraw/zinc/07/82/49/415078249.db2.gz ULGKUKJLUBHARZ-OLZOCXBDSA-N 2 1 288.382 2.143 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1C[C@H](O)C1 ZINC000657809757 415087608 /nfs/dbraw/zinc/08/76/08/415087608.db2.gz QBBZKDIELCFGTN-WKILWMFISA-N 2 1 276.424 2.258 20 0 CEADMP CC(C)[NH2+]C1(CO)CC[NH+](CCCC2CCOCC2)CC1 ZINC000653727280 415088411 /nfs/dbraw/zinc/08/84/11/415088411.db2.gz SMZXNDARTGRKST-UHFFFAOYSA-N 2 1 298.471 2.018 20 0 CEADMP Cc1cc(CO)cc(N2CCC(CCC[NH+](C)C)CC2)[nH+]1 ZINC000663758133 415039179 /nfs/dbraw/zinc/03/91/79/415039179.db2.gz AOIPKRXTVAHLRD-UHFFFAOYSA-N 2 1 291.439 2.441 20 0 CEADMP C[C@H]1CCC[C@@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)O1 ZINC000657669383 415041609 /nfs/dbraw/zinc/04/16/09/415041609.db2.gz YHQKROUKARSVST-JSGCOSHPSA-N 2 1 263.385 2.195 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)O1 ZINC000657669385 415042526 /nfs/dbraw/zinc/04/25/26/415042526.db2.gz YHQKROUKARSVST-TZMCWYRMSA-N 2 1 263.385 2.195 20 0 CEADMP C1C[N@@H+](C2CCCCC2)C[C@H]1[NH2+]C1CCOCC1 ZINC000657678973 415045870 /nfs/dbraw/zinc/04/58/70/415045870.db2.gz XOALDHHXMARGIP-AWEZNQCLSA-N 2 1 252.402 2.162 20 0 CEADMP C1C[N@H+](C2CCCCC2)C[C@H]1[NH2+]C1CCOCC1 ZINC000657678973 415045873 /nfs/dbraw/zinc/04/58/73/415045873.db2.gz XOALDHHXMARGIP-AWEZNQCLSA-N 2 1 252.402 2.162 20 0 CEADMP C[NH+]1CCC(N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000657675567 415045906 /nfs/dbraw/zinc/04/59/06/415045906.db2.gz VXUGXASYUHCXSY-OAHLLOKOSA-N 2 1 265.445 2.077 20 0 CEADMP C1C[N@@H+]2CCCC[C@H]2[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657838207 415101518 /nfs/dbraw/zinc/10/15/18/415101518.db2.gz OVUNLJHBJHLOCW-RDBSUJKOSA-N 2 1 254.443 2.489 20 0 CEADMP C1C[N@H+]2CCCC[C@H]2[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657838207 415101520 /nfs/dbraw/zinc/10/15/20/415101520.db2.gz OVUNLJHBJHLOCW-RDBSUJKOSA-N 2 1 254.443 2.489 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCC12CC2 ZINC000657882385 415113118 /nfs/dbraw/zinc/11/31/18/415113118.db2.gz YXVZEVIXIBVRMJ-CABCVRRESA-N 2 1 266.429 2.146 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653811309 415115937 /nfs/dbraw/zinc/11/59/37/415115937.db2.gz DJXPSYPZGCRYKB-INIZCTEOSA-N 2 1 277.412 2.386 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653811309 415115943 /nfs/dbraw/zinc/11/59/43/415115943.db2.gz DJXPSYPZGCRYKB-INIZCTEOSA-N 2 1 277.412 2.386 20 0 CEADMP Cc1c[nH+]ccc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000664011007 415122026 /nfs/dbraw/zinc/12/20/26/415122026.db2.gz KVIPTMUREFBPML-UHFFFAOYSA-N 2 1 275.396 2.081 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000657973832 415140958 /nfs/dbraw/zinc/14/09/58/415140958.db2.gz JHLARFFCPREKCI-XHDPSFHLSA-N 2 1 291.420 2.014 20 0 CEADMP COC1([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000658035585 415166817 /nfs/dbraw/zinc/16/68/17/415166817.db2.gz OSXOIMHNWTWJTR-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000658052826 415176250 /nfs/dbraw/zinc/17/62/50/415176250.db2.gz PMUVFVDDLYQPNM-AWEZNQCLSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCc2noc3ccccc32)CC[N@H+]1C ZINC000658065022 415188350 /nfs/dbraw/zinc/18/83/50/415188350.db2.gz KYDUVBWHUMOMIV-STQMWFEESA-N 2 1 273.380 2.443 20 0 CEADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000658123059 415220083 /nfs/dbraw/zinc/22/00/83/415220083.db2.gz IXNVKJQVJOKYJG-BBWFWOEESA-N 2 1 273.424 2.395 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661490845 415288060 /nfs/dbraw/zinc/28/80/60/415288060.db2.gz FTWKRRYEMRNWRH-CABCVRRESA-N 2 1 256.434 2.201 20 0 CEADMP CC(C)(C)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655699874 415397740 /nfs/dbraw/zinc/39/77/40/415397740.db2.gz HOBICSMBXKJMML-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP CCO[C@@H](CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000655719903 415412257 /nfs/dbraw/zinc/41/22/57/415412257.db2.gz WUBRZPLQINOAKK-IRXDYDNUSA-N 2 1 298.471 2.281 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCCS1 ZINC000655723553 415413371 /nfs/dbraw/zinc/41/33/71/415413371.db2.gz POZWNTOETKIGJZ-GJZGRUSLSA-N 2 1 284.469 2.115 20 0 CEADMP CC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000655730484 415418071 /nfs/dbraw/zinc/41/80/71/415418071.db2.gz KIMLOABDQNDLMX-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP CO[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655739028 415426753 /nfs/dbraw/zinc/42/67/53/415426753.db2.gz UMIWDMFRQVKHEE-BHYGNILZSA-N 2 1 296.455 2.035 20 0 CEADMP C(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C[C@H]1CCCCO1 ZINC000655755280 415438201 /nfs/dbraw/zinc/43/82/01/415438201.db2.gz WAAMCGGYAQPWAY-IAGOWNOFSA-N 2 1 296.455 2.179 20 0 CEADMP CC(C)[C@@H]1C[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655773232 415451169 /nfs/dbraw/zinc/45/11/69/415451169.db2.gz YSOUUNGPMLGPGW-BPUTZDHNSA-N 2 1 266.429 2.121 20 0 CEADMP C(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)CC1CCOCC1 ZINC000655771256 415451694 /nfs/dbraw/zinc/45/16/94/415451694.db2.gz FNMMBNGOPGWJQE-KRWDZBQOSA-N 2 1 296.455 2.036 20 0 CEADMP C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C[C@H]1CCOC1 ZINC000655774501 415454670 /nfs/dbraw/zinc/45/46/70/415454670.db2.gz VBTGNQCPZZSVHG-DOTOQJQBSA-N 2 1 296.455 2.036 20 0 CEADMP C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C[C@H]1CCOC1 ZINC000655774503 415456817 /nfs/dbraw/zinc/45/68/17/415456817.db2.gz VBTGNQCPZZSVHG-RDJZCZTQSA-N 2 1 296.455 2.036 20 0 CEADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1C[C@H]1C1CCC1 ZINC000655776346 415457166 /nfs/dbraw/zinc/45/71/66/415457166.db2.gz GQXKUNIGIXHVMO-XIRDDKMYSA-N 2 1 278.440 2.266 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000664719069 415460529 /nfs/dbraw/zinc/46/05/29/415460529.db2.gz MJXDSLRMUQKVRU-GOOCMWNKSA-N 2 1 295.471 2.144 20 0 CEADMP Cc1cnc(CC[NH2+]Cc2c[nH+]ccc2N(C)C)c(C)c1 ZINC000655830533 415502914 /nfs/dbraw/zinc/50/29/14/415502914.db2.gz YBOMOQAEOVCKJD-UHFFFAOYSA-N 2 1 284.407 2.492 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655834561 415507851 /nfs/dbraw/zinc/50/78/51/415507851.db2.gz DQIUZCPJYRBNDX-KBMXLJTQSA-N 2 1 259.397 2.229 20 0 CEADMP CC[N@@H+](CCCNC(=O)C[NH2+]C(C)C)C1CCCCC1 ZINC000659327065 415515374 /nfs/dbraw/zinc/51/53/74/415515374.db2.gz HHEFUZJLSCAAKH-UHFFFAOYSA-N 2 1 283.460 2.145 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2noc3ccccc32)C1 ZINC000655938158 415560045 /nfs/dbraw/zinc/56/00/45/415560045.db2.gz OCAZHXZVZSAQCR-QWHCGFSZSA-N 2 1 273.380 2.430 20 0 CEADMP COc1cccc2c1OCC[C@H]2[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000656194595 415628337 /nfs/dbraw/zinc/62/83/37/415628337.db2.gz MAXVCUAYNZHBDP-CJNGLKHVSA-N 2 1 276.380 2.108 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@H](OC3CCC3)C2)CC[NH2+]C1 ZINC000656193748 415629629 /nfs/dbraw/zinc/62/96/29/415629629.db2.gz RFRQGDUBWLSANY-GJZGRUSLSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(N)c2)[C@@H]2CCC[C@@H]21 ZINC000665233030 415634179 /nfs/dbraw/zinc/63/41/79/415634179.db2.gz ZOYLFUZDGKHAFN-JYJNAYRXSA-N 2 1 259.397 2.231 20 0 CEADMP C[C@H]([NH2+]CCc1noc2ccccc12)[C@@H]1CCCC[NH2+]1 ZINC000665231979 415634604 /nfs/dbraw/zinc/63/46/04/415634604.db2.gz CJUXLQLJVBNPGC-JSGCOSHPSA-N 2 1 273.380 2.491 20 0 CEADMP CCc1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c2ccccc2[nH+]1 ZINC000656218933 415647840 /nfs/dbraw/zinc/64/78/40/415647840.db2.gz GUURVUBHRDGPIN-LSDHHAIUSA-N 2 1 297.402 2.052 20 0 CEADMP Cc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1C ZINC000662152707 415657397 /nfs/dbraw/zinc/65/73/97/415657397.db2.gz YBKOTMOHDNMVJG-SFHVURJKSA-N 2 1 288.435 2.334 20 0 CEADMP Cc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1C ZINC000662152707 415657400 /nfs/dbraw/zinc/65/74/00/415657400.db2.gz YBKOTMOHDNMVJG-SFHVURJKSA-N 2 1 288.435 2.334 20 0 CEADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662147302 415657422 /nfs/dbraw/zinc/65/74/22/415657422.db2.gz DKBFGONIEMLITL-INMHGKMJSA-N 2 1 280.456 2.344 20 0 CEADMP Cc1cccc(C)c1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154990 415662733 /nfs/dbraw/zinc/66/27/33/415662733.db2.gz HYXRBHMYHHFGCE-KRWDZBQOSA-N 2 1 288.435 2.334 20 0 CEADMP Cc1cccc(C)c1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154990 415662740 /nfs/dbraw/zinc/66/27/40/415662740.db2.gz HYXRBHMYHHFGCE-KRWDZBQOSA-N 2 1 288.435 2.334 20 0 CEADMP CO[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)C1CCCC1 ZINC000665275288 415666389 /nfs/dbraw/zinc/66/63/89/415666389.db2.gz GOBSRJZIAGRRNH-NHYWBVRUSA-N 2 1 263.385 2.350 20 0 CEADMP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665278051 415670356 /nfs/dbraw/zinc/67/03/56/415670356.db2.gz UCDOVYPWNBFTOG-JOKDJRIQSA-N 2 1 286.419 2.496 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c2ccccc21 ZINC000665291103 415679098 /nfs/dbraw/zinc/67/90/98/415679098.db2.gz USGLLKRETUMYJU-IAQYHMDHSA-N 2 1 298.390 2.369 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)C[C@H]1CCc2ccccc21)C1CC1 ZINC000662197949 415681570 /nfs/dbraw/zinc/68/15/70/415681570.db2.gz XNQCMANVRYJZPQ-NVXWUHKLSA-N 2 1 288.435 2.103 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)C[C@H]1CCc2ccccc21)C1CC1 ZINC000662197949 415681574 /nfs/dbraw/zinc/68/15/74/415681574.db2.gz XNQCMANVRYJZPQ-NVXWUHKLSA-N 2 1 288.435 2.103 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@H]1CCc2ccccc21 ZINC000662197949 415681577 /nfs/dbraw/zinc/68/15/77/415681577.db2.gz XNQCMANVRYJZPQ-NVXWUHKLSA-N 2 1 288.435 2.103 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H]1CCc2ccccc21 ZINC000662197949 415681580 /nfs/dbraw/zinc/68/15/80/415681580.db2.gz XNQCMANVRYJZPQ-NVXWUHKLSA-N 2 1 288.435 2.103 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000071147577 176043722 /nfs/dbraw/zinc/04/37/22/176043722.db2.gz WVMQXPWSIHSHDB-CYBMUJFWSA-N 2 1 255.365 2.276 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+])C1CCCC1 ZINC000662235344 415697356 /nfs/dbraw/zinc/69/73/56/415697356.db2.gz QVFCKRSRIOGMJD-NWANDNLSSA-N 2 1 254.418 2.393 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000662266820 415731668 /nfs/dbraw/zinc/73/16/68/415731668.db2.gz PIGQDHAAVRRBME-HOTGVXAUSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)c1cccc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000662245237 415707295 /nfs/dbraw/zinc/70/72/95/415707295.db2.gz JIYIITLTDSMRIV-UHFFFAOYSA-N 2 1 275.440 2.147 20 0 CEADMP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662249900 415710047 /nfs/dbraw/zinc/71/00/47/415710047.db2.gz URESZYZLJJIQGD-CQSZACIVSA-N 2 1 252.402 2.162 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CCCCC1 ZINC000662273836 415739363 /nfs/dbraw/zinc/73/93/63/415739363.db2.gz QDJIPNZNCHBUBH-BZUAXINKSA-N 2 1 266.429 2.266 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662271995 415739740 /nfs/dbraw/zinc/73/97/40/415739740.db2.gz AYHDMIBBSZLCOS-HZPDHXFCSA-N 2 1 290.455 2.064 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662271995 415739745 /nfs/dbraw/zinc/73/97/45/415739745.db2.gz AYHDMIBBSZLCOS-HZPDHXFCSA-N 3 1 290.455 2.064 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662271995 415739749 /nfs/dbraw/zinc/73/97/49/415739749.db2.gz AYHDMIBBSZLCOS-HZPDHXFCSA-N 3 1 290.455 2.064 20 0 CEADMP CC1CCN(C(=[NH2+])NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000656508681 415744698 /nfs/dbraw/zinc/74/46/98/415744698.db2.gz WROKPWISCRJXQD-CYBMUJFWSA-N 2 1 266.433 2.115 20 0 CEADMP CC(C)[N@H+]1CCCN(CC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659873401 415749465 /nfs/dbraw/zinc/74/94/65/415749465.db2.gz OAWPUYXCFPCGCO-CALCHBBNSA-N 2 1 281.488 2.380 20 0 CEADMP CC(C)[NH+]1CCCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659873401 415749473 /nfs/dbraw/zinc/74/94/73/415749473.db2.gz OAWPUYXCFPCGCO-CALCHBBNSA-N 2 1 281.488 2.380 20 0 CEADMP CC(C)[NH+]1CCCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659873401 415749479 /nfs/dbraw/zinc/74/94/79/415749479.db2.gz OAWPUYXCFPCGCO-CALCHBBNSA-N 2 1 281.488 2.380 20 0 CEADMP COc1cccc(SCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000662274382 415737599 /nfs/dbraw/zinc/73/75/99/415737599.db2.gz SSDUVOUTEFOYGN-CJNGLKHVSA-N 2 1 292.448 2.471 20 0 CEADMP COc1cccc(SCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000662274382 415737604 /nfs/dbraw/zinc/73/76/04/415737604.db2.gz SSDUVOUTEFOYGN-CJNGLKHVSA-N 2 1 292.448 2.471 20 0 CEADMP C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000662302414 415765157 /nfs/dbraw/zinc/76/51/57/415765157.db2.gz XQGSFYGPNQZJHI-KDOFPFPSSA-N 2 1 288.435 2.315 20 0 CEADMP Cc1[nH+]ccn1CCCN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000662305133 415767818 /nfs/dbraw/zinc/76/78/18/415767818.db2.gz ONHHCOYNEQFTIG-MRXNPFEDSA-N 2 1 284.407 2.362 20 0 CEADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659910422 415777436 /nfs/dbraw/zinc/77/74/36/415777436.db2.gz QONHCWZQGGZQTO-MHORFTMASA-N 2 1 291.483 2.134 20 0 CEADMP CCc1nocc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000662285256 415753589 /nfs/dbraw/zinc/75/35/89/415753589.db2.gz IIURSAGZGDYDSI-BXUZGUMPSA-N 2 1 251.374 2.186 20 0 CEADMP CC(C)c1noc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662290855 415754549 /nfs/dbraw/zinc/75/45/49/415754549.db2.gz MBRYWLIABQLNLC-CQSZACIVSA-N 2 1 292.427 2.405 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292877 415756843 /nfs/dbraw/zinc/75/68/43/415756843.db2.gz PGRAMZHYCFNCSH-QGZVFWFLSA-N 3 1 290.455 2.293 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292716 415757382 /nfs/dbraw/zinc/75/73/82/415757382.db2.gz HWSBDNCOUFGMBM-INIZCTEOSA-N 2 1 290.455 2.064 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292716 415757386 /nfs/dbraw/zinc/75/73/86/415757386.db2.gz HWSBDNCOUFGMBM-INIZCTEOSA-N 3 1 290.455 2.064 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292716 415757391 /nfs/dbraw/zinc/75/73/91/415757391.db2.gz HWSBDNCOUFGMBM-INIZCTEOSA-N 3 1 290.455 2.064 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294565 415758585 /nfs/dbraw/zinc/75/85/85/415758585.db2.gz QVLIHORKSHXOAN-QGZVFWFLSA-N 2 1 290.455 2.293 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294565 415758589 /nfs/dbraw/zinc/75/85/89/415758589.db2.gz QVLIHORKSHXOAN-QGZVFWFLSA-N 3 1 290.455 2.293 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294565 415758592 /nfs/dbraw/zinc/75/85/92/415758592.db2.gz QVLIHORKSHXOAN-QGZVFWFLSA-N 3 1 290.455 2.293 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H](n3ccnc3)C2)nc(C)n1 ZINC000659882737 415759117 /nfs/dbraw/zinc/75/91/17/415759117.db2.gz MSROMWSZVADTPE-HNNXBMFYSA-N 2 1 271.368 2.127 20 0 CEADMP Cc1cc(CN2CCC[C@H](n3ccnc3)C2)nc(C)n1 ZINC000659882737 415759125 /nfs/dbraw/zinc/75/91/25/415759125.db2.gz MSROMWSZVADTPE-HNNXBMFYSA-N 2 1 271.368 2.127 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662458851 415852123 /nfs/dbraw/zinc/85/21/23/415852123.db2.gz SBTNLRBKJMWHAG-HOTGVXAUSA-N 2 1 297.487 2.378 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CCO1 ZINC000662323699 415780882 /nfs/dbraw/zinc/78/08/82/415780882.db2.gz PHUOKGSNHVZTRR-ZIAGYGMSSA-N 2 1 290.398 2.464 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H](CC(F)(F)F)O1 ZINC000662325942 415781259 /nfs/dbraw/zinc/78/12/59/415781259.db2.gz LWSJMDOXLMOURC-UTUOFQBUSA-N 2 1 280.334 2.028 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CCC1 ZINC000659947196 415801940 /nfs/dbraw/zinc/80/19/40/415801940.db2.gz JVCMBWZSFWHABY-ZBFHGGJFSA-N 2 1 266.429 2.219 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCO[C@H]2CC2(F)F)C[C@@H]1C ZINC000659983673 415827012 /nfs/dbraw/zinc/82/70/12/415827012.db2.gz SHELUPMRGLLFTC-AVGNSLFASA-N 2 1 276.371 2.215 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCO[C@H]2CC2(F)F)C[C@@H]1C ZINC000659983673 415827018 /nfs/dbraw/zinc/82/70/18/415827018.db2.gz SHELUPMRGLLFTC-AVGNSLFASA-N 2 1 276.371 2.215 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO[C@H]2CC2(F)F)C[C@@H]1C ZINC000659983673 415827023 /nfs/dbraw/zinc/82/70/23/415827023.db2.gz SHELUPMRGLLFTC-AVGNSLFASA-N 2 1 276.371 2.215 20 0 CEADMP COc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)on1 ZINC000660114422 415887839 /nfs/dbraw/zinc/88/78/39/415887839.db2.gz HDAIXFIWNGOJSG-DOMZBBRYSA-N 2 1 291.395 2.132 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662668392 415925820 /nfs/dbraw/zinc/92/58/20/415925820.db2.gz LVSSDVUBYJCRER-OFQRWUPVSA-N 2 1 293.455 2.027 20 0 CEADMP C[N@H+](Cc1cc(-n2ccnc2)cs1)CC(C)(C)[NH3+] ZINC000656786312 415860869 /nfs/dbraw/zinc/86/08/69/415860869.db2.gz WERQPULEYLVIDY-UHFFFAOYSA-N 2 1 264.398 2.103 20 0 CEADMP C[N@@H+](Cc1cc(-n2ccnc2)cs1)CC(C)(C)[NH3+] ZINC000656786312 415860873 /nfs/dbraw/zinc/86/08/73/415860873.db2.gz WERQPULEYLVIDY-UHFFFAOYSA-N 2 1 264.398 2.103 20 0 CEADMP c1ncc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656786740 415861975 /nfs/dbraw/zinc/86/19/75/415861975.db2.gz XCQRAJAKXLIDFZ-ZDUSSCGKSA-N 2 1 265.426 2.355 20 0 CEADMP COC[C@@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789247 415864754 /nfs/dbraw/zinc/86/47/54/415864754.db2.gz UMCNUZJHSDEVPY-NUEKZKHPSA-N 2 1 262.397 2.004 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000078302657 177331843 /nfs/dbraw/zinc/33/18/43/177331843.db2.gz GHOGLRGZRJKHDP-UHFFFAOYSA-N 2 1 288.370 2.400 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000567274563 299048363 /nfs/dbraw/zinc/04/83/63/299048363.db2.gz ZWUSSBLPHNVDNP-HOTGVXAUSA-N 2 1 295.471 2.289 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2nccc3ccccc32)CC[NH2+]1 ZINC000666873226 419452693 /nfs/dbraw/zinc/45/26/93/419452693.db2.gz INFILROTQMIZLR-JSGCOSHPSA-N 2 1 255.365 2.465 20 0 CEADMP COC[C@]1(C[NH2+]CC(C)(C)c2ccccc2)CCC[NH2+]1 ZINC000666889965 419456965 /nfs/dbraw/zinc/45/69/65/419456965.db2.gz VPMKCSPJLXIMGJ-QGZVFWFLSA-N 2 1 276.424 2.322 20 0 CEADMP CC(C)(C[N@@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000667044389 419525575 /nfs/dbraw/zinc/52/55/75/419525575.db2.gz DJTFDISLURJUMZ-HNNXBMFYSA-N 2 1 262.397 2.014 20 0 CEADMP CC(C)(C[N@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000667044389 419525579 /nfs/dbraw/zinc/52/55/79/419525579.db2.gz DJTFDISLURJUMZ-HNNXBMFYSA-N 2 1 262.397 2.014 20 0 CEADMP CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1CCOC1 ZINC000667516790 419700314 /nfs/dbraw/zinc/70/03/14/419700314.db2.gz INDCVHXCPWLJTE-AWEZNQCLSA-N 2 1 286.379 2.126 20 0 CEADMP CN1CCN(c2ccc(N[C@H]3CCC[C@@H]4C[C@@H]43)nc2)CC1 ZINC000667795357 419807480 /nfs/dbraw/zinc/80/74/80/419807480.db2.gz ZVRCITBIAXEBHZ-KBMXLJTQSA-N 2 1 286.423 2.434 20 0 CEADMP C1CC1[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CO1 ZINC000667806613 419814444 /nfs/dbraw/zinc/81/44/44/419814444.db2.gz NSNPKGBQJOMUMY-HOCLYGCPSA-N 2 1 264.413 2.160 20 0 CEADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000237021443 270318402 /nfs/dbraw/zinc/31/84/02/270318402.db2.gz FKMJHZTVHKVRJN-KKUMJFAQSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000449120110 260230550 /nfs/dbraw/zinc/23/05/50/260230550.db2.gz BQUXNPGFVIIUEX-CQSZACIVSA-N 2 1 297.487 2.343 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(C)n2C)c1 ZINC000518218365 260358976 /nfs/dbraw/zinc/35/89/76/260358976.db2.gz HZZWVDBKQZAPBP-UHFFFAOYSA-N 2 1 286.423 2.470 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000518381557 260391541 /nfs/dbraw/zinc/39/15/41/260391541.db2.gz WFSWFVFXMHUKDG-HNNXBMFYSA-N 3 1 267.461 2.038 20 0 CEADMP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@H]3[NH2+]CC[C@@H]3C1)CC2 ZINC000428032985 260938082 /nfs/dbraw/zinc/93/80/82/260938082.db2.gz LVWHGWUIHYIUIW-DAXOMENPSA-N 2 1 260.356 2.497 20 0 CEADMP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@H]3[NH2+]CC[C@@H]3C1)CC2 ZINC000428032985 260938084 /nfs/dbraw/zinc/93/80/84/260938084.db2.gz LVWHGWUIHYIUIW-DAXOMENPSA-N 2 1 260.356 2.497 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2C)C12CCC2 ZINC000453058746 263184421 /nfs/dbraw/zinc/18/44/21/263184421.db2.gz JWJFSLGRXOZOHV-ZIAGYGMSSA-N 2 1 263.385 2.129 20 0 CEADMP C[C@@H](CCC1CC1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000186320623 270249606 /nfs/dbraw/zinc/24/96/06/270249606.db2.gz CRIBMLZIMFTINC-HNNXBMFYSA-N 2 1 281.488 2.428 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000425414396 264292160 /nfs/dbraw/zinc/29/21/60/264292160.db2.gz FWWNSLGCFJCUGV-GDBMZVCRSA-N 2 1 266.429 2.219 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CC[C@H]2CCCO2)CC1 ZINC000189502495 270262920 /nfs/dbraw/zinc/26/29/20/270262920.db2.gz QCQGXMZKAYEKTQ-OAHLLOKOSA-N 2 1 254.418 2.362 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000044532955 270229484 /nfs/dbraw/zinc/22/94/84/270229484.db2.gz SPNVBPFFBZBVDG-CYBMUJFWSA-N 2 1 264.417 2.070 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000044532955 270229485 /nfs/dbraw/zinc/22/94/85/270229485.db2.gz SPNVBPFFBZBVDG-CYBMUJFWSA-N 2 1 264.417 2.070 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC1CC[NH+](C(C)C)CC1 ZINC000160144362 270238389 /nfs/dbraw/zinc/23/83/89/270238389.db2.gz OWJQVTSUKSEVDE-CQSZACIVSA-N 2 1 255.450 2.179 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C)CCC2CC2)CC1 ZINC000186278339 270249091 /nfs/dbraw/zinc/24/90/91/270249091.db2.gz QQHGPMYVTPNKIJ-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000225877469 270309002 /nfs/dbraw/zinc/30/90/02/270309002.db2.gz IWTZUUUDYIVVCU-AWEZNQCLSA-N 2 1 299.459 2.316 20 0 CEADMP Cc1ncsc1CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000391218953 270340440 /nfs/dbraw/zinc/34/04/40/270340440.db2.gz YFRQVOLBYNOKAI-PWSUYJOCSA-N 2 1 253.415 2.114 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000398011099 270355739 /nfs/dbraw/zinc/35/57/39/270355739.db2.gz CXXGTDNKOKIWQN-DZOHQFGASA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000398011099 270355741 /nfs/dbraw/zinc/35/57/41/270355741.db2.gz CXXGTDNKOKIWQN-DZOHQFGASA-N 2 1 288.435 2.400 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]CCOC(F)(F)F)c2ccccc21 ZINC000398194372 270357026 /nfs/dbraw/zinc/35/70/26/270357026.db2.gz TUSZBYDDFYLDIW-QWRGUYRKSA-N 2 1 260.259 2.257 20 0 CEADMP CCCC[C@H](C[NH3+])NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000418447353 270375941 /nfs/dbraw/zinc/37/59/41/270375941.db2.gz PHTSLXPZDVGBKQ-HUUCEWRRSA-N 2 1 298.475 2.020 20 0 CEADMP Fc1ccccc1[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000420311498 270511903 /nfs/dbraw/zinc/51/19/03/270511903.db2.gz WBKRJNKFOXIEOG-CZUORRHYSA-N 2 1 278.371 2.199 20 0 CEADMP Fc1ccccc1[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000420311498 270511906 /nfs/dbraw/zinc/51/19/06/270511906.db2.gz WBKRJNKFOXIEOG-CZUORRHYSA-N 2 1 278.371 2.199 20 0 CEADMP C(C[N@@H+](C[C@H]1CCCO1)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000420311897 270513443 /nfs/dbraw/zinc/51/34/43/270513443.db2.gz WGBUUGSXKNHWHL-GDBMZVCRSA-N 2 1 266.429 2.410 20 0 CEADMP COC(=O)[C@@H](c1ccccc1C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420315513 270514726 /nfs/dbraw/zinc/51/47/26/270514726.db2.gz RTGPDXYADCHIQO-GDBMZVCRSA-N 2 1 290.407 2.270 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000422735426 270745422 /nfs/dbraw/zinc/74/54/22/270745422.db2.gz URTPYVLUGOQWSK-LSDHHAIUSA-N 2 1 275.440 2.366 20 0 CEADMP CCC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1nnc2ccccn21 ZINC000422734357 270745527 /nfs/dbraw/zinc/74/55/27/270745527.db2.gz COYATARXFSZAPG-RDBSUJKOSA-N 2 1 287.411 2.158 20 0 CEADMP COc1ccccc1O[C@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422779120 270762827 /nfs/dbraw/zinc/76/28/27/270762827.db2.gz BLEWJRDNIJFPNW-MCIONIFRSA-N 2 1 278.396 2.193 20 0 CEADMP OC[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423152858 270853017 /nfs/dbraw/zinc/85/30/17/270853017.db2.gz FTECPBILZRPBND-BSWAZPDLSA-N 2 1 274.408 2.230 20 0 CEADMP C[C@@H]([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000423166701 270857763 /nfs/dbraw/zinc/85/77/63/270857763.db2.gz VUTPNOWDHABXBW-MJBXVCDLSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@@H]([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000423166701 270857764 /nfs/dbraw/zinc/85/77/64/270857764.db2.gz VUTPNOWDHABXBW-MJBXVCDLSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[NH2+]C1 ZINC000423207806 270870866 /nfs/dbraw/zinc/87/08/66/270870866.db2.gz DOSCTAIEHDKIRX-GWCFXTLKSA-N 2 1 254.324 2.237 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)[C@@H]1CCC[NH2+]1 ZINC000423370632 270905962 /nfs/dbraw/zinc/90/59/62/270905962.db2.gz UMKPNIITKCSREW-KNXALSJPSA-N 2 1 259.397 2.376 20 0 CEADMP CC[C@@H](C(=O)NC(C)(C)CC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000424061591 271008281 /nfs/dbraw/zinc/00/82/81/271008281.db2.gz XSKWMSBIKBOSEU-HNNXBMFYSA-N 2 1 291.439 2.141 20 0 CEADMP COC(=O)CC1CC([NH2+][C@@H](C)C[NH+]2CCCCCC2)C1 ZINC000424270402 271037705 /nfs/dbraw/zinc/03/77/05/271037705.db2.gz BNJJXBICKLXPJL-NFOMZHRRSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CCOCC(F)(F)F)CC[NH2+]CC2 ZINC000424284684 271039084 /nfs/dbraw/zinc/03/90/84/271039084.db2.gz DOQHQQIBCKHPML-LLVKDONJSA-N 2 1 280.334 2.029 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)(C)COC)[C@@H](C)C1 ZINC000426417175 271220308 /nfs/dbraw/zinc/22/03/08/271220308.db2.gz PUBARHREQVUKSY-KBPBESRZSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)(C)COC)[C@@H](C)C1 ZINC000426417175 271220312 /nfs/dbraw/zinc/22/03/12/271220312.db2.gz PUBARHREQVUKSY-KBPBESRZSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCN2CCc3ccccc32)CC1 ZINC000428215532 271246404 /nfs/dbraw/zinc/24/64/04/271246404.db2.gz CABBJDYMOCBLBT-UHFFFAOYSA-N 2 1 287.451 2.465 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCN2CCc3ccccc32)CC1 ZINC000428215532 271246407 /nfs/dbraw/zinc/24/64/07/271246407.db2.gz CABBJDYMOCBLBT-UHFFFAOYSA-N 2 1 287.451 2.465 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000428513576 271277604 /nfs/dbraw/zinc/27/76/04/271277604.db2.gz UOFSUZOJGDGUPJ-KKUMJFAQSA-N 2 1 283.460 2.096 20 0 CEADMP COC1(C[C@H](C)[NH2+]CC2([NH+](C)C)CCOCC2)CCC1 ZINC000429528425 271336789 /nfs/dbraw/zinc/33/67/89/271336789.db2.gz PEXDTAMVDIQPTO-AWEZNQCLSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431914752 271462900 /nfs/dbraw/zinc/46/29/00/271462900.db2.gz UYSYJDLKBCZZGR-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC1(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC000414903347 273594481 /nfs/dbraw/zinc/59/44/81/273594481.db2.gz LTNJNIGWKNJYOC-DLBZAZTESA-N 3 1 287.451 2.459 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1COc2ccccc2O1 ZINC000252393284 274340447 /nfs/dbraw/zinc/34/04/47/274340447.db2.gz YTBYOGCBCGOUAT-APIJFGDWSA-N 2 1 290.407 2.145 20 0 CEADMP c1cc2c(nc[nH+]c2N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)[nH]1 ZINC000269458442 275065091 /nfs/dbraw/zinc/06/50/91/275065091.db2.gz XNRKUTSKDFJKRP-DOMZBBRYSA-N 2 1 297.406 2.411 20 0 CEADMP c1cc2c(nc[nH+]c2N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[nH]1 ZINC000269458442 275065092 /nfs/dbraw/zinc/06/50/92/275065092.db2.gz XNRKUTSKDFJKRP-DOMZBBRYSA-N 2 1 297.406 2.411 20 0 CEADMP C(CN1CCC[N@H+](C2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000359212275 275391148 /nfs/dbraw/zinc/39/11/48/275391148.db2.gz GQEVCUNSZPDHTB-UHFFFAOYSA-N 2 1 279.472 2.326 20 0 CEADMP C(C[N@@H+]1CCCN(C2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000359212275 275391149 /nfs/dbraw/zinc/39/11/49/275391149.db2.gz GQEVCUNSZPDHTB-UHFFFAOYSA-N 2 1 279.472 2.326 20 0 CEADMP C(C[N@H+]1CCCN(C2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000359212275 275391150 /nfs/dbraw/zinc/39/11/50/275391150.db2.gz GQEVCUNSZPDHTB-UHFFFAOYSA-N 2 1 279.472 2.326 20 0 CEADMP CCOC(=O)C[C@](C)([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000186690545 276281256 /nfs/dbraw/zinc/28/12/56/276281256.db2.gz SJCLGBUJSFZFSR-HOCLYGCPSA-N 2 1 284.444 2.428 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000362414139 276322898 /nfs/dbraw/zinc/32/28/98/276322898.db2.gz SJCMTZMTOPPFKU-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCOC1 ZINC000119711244 276583454 /nfs/dbraw/zinc/58/34/54/276583454.db2.gz AMDWQVUWAOHFPH-DOMZBBRYSA-N 2 1 252.402 2.018 20 0 CEADMP CC(=O)NCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000247108791 277030419 /nfs/dbraw/zinc/03/04/19/277030419.db2.gz XXHCWXMOQIQXGE-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000247108791 277030420 /nfs/dbraw/zinc/03/04/20/277030420.db2.gz XXHCWXMOQIQXGE-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000247108791 277030421 /nfs/dbraw/zinc/03/04/21/277030421.db2.gz XXHCWXMOQIQXGE-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000247108791 277030422 /nfs/dbraw/zinc/03/04/22/277030422.db2.gz XXHCWXMOQIQXGE-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CC3=CCCOC3)C2)CC1 ZINC000366951024 277036448 /nfs/dbraw/zinc/03/64/48/277036448.db2.gz HYBQTMSSEGNBKO-UHFFFAOYSA-N 2 1 264.413 2.141 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)c1ccccc1)CC2 ZINC000374622966 277042416 /nfs/dbraw/zinc/04/24/16/277042416.db2.gz MEYZIUFQSIOFSH-INIZCTEOSA-N 2 1 274.408 2.280 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)c1ccccc1)CC2 ZINC000374622966 277042418 /nfs/dbraw/zinc/04/24/18/277042418.db2.gz MEYZIUFQSIOFSH-INIZCTEOSA-N 2 1 274.408 2.280 20 0 CEADMP COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000343652933 277085274 /nfs/dbraw/zinc/08/52/74/277085274.db2.gz HFCNWCPSLBMRIR-YCPHGPKFSA-N 2 1 282.428 2.182 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](C[C@H]3CC=CCC3)C2)CC1 ZINC000377694336 277110624 /nfs/dbraw/zinc/11/06/24/277110624.db2.gz INXLVMCGTDDUGV-ZWKOTPCHSA-N 2 1 291.483 2.445 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](C[C@H]3CC=CCC3)C2)CC1 ZINC000377694336 277110626 /nfs/dbraw/zinc/11/06/26/277110626.db2.gz INXLVMCGTDDUGV-ZWKOTPCHSA-N 2 1 291.483 2.445 20 0 CEADMP COC(=O)[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC12CCC2 ZINC000373148929 277135193 /nfs/dbraw/zinc/13/51/93/277135193.db2.gz BGASLRZIYAVILP-LSDHHAIUSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC12CCC2 ZINC000373148929 277135195 /nfs/dbraw/zinc/13/51/95/277135195.db2.gz BGASLRZIYAVILP-LSDHHAIUSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CC12CCC2 ZINC000373148929 277135197 /nfs/dbraw/zinc/13/51/97/277135197.db2.gz BGASLRZIYAVILP-LSDHHAIUSA-N 2 1 294.439 2.136 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089145262 277151748 /nfs/dbraw/zinc/15/17/48/277151748.db2.gz UCKZTYLNCKMQGH-DZGCQCFKSA-N 3 1 267.461 2.356 20 0 CEADMP COC1CCC([NH2+][C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000414832375 277193379 /nfs/dbraw/zinc/19/33/79/277193379.db2.gz DKUKSCGEBUACDR-NRXISQOPSA-N 2 1 254.418 2.441 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4ccc(F)cc43)C[C@@H]2C1 ZINC000193646064 277198778 /nfs/dbraw/zinc/19/87/78/277198778.db2.gz CYRBPLRWIZVBHU-ZENOOKHLSA-N 2 1 260.356 2.306 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4ccc(F)cc43)C[C@@H]2C1 ZINC000193646064 277198779 /nfs/dbraw/zinc/19/87/79/277198779.db2.gz CYRBPLRWIZVBHU-ZENOOKHLSA-N 2 1 260.356 2.306 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4ccc(F)cc43)C[C@@H]2C1 ZINC000193646064 277198780 /nfs/dbraw/zinc/19/87/80/277198780.db2.gz CYRBPLRWIZVBHU-ZENOOKHLSA-N 2 1 260.356 2.306 20 0 CEADMP CO[C@@]1(C)C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1(C)C ZINC000185208926 277320655 /nfs/dbraw/zinc/32/06/55/277320655.db2.gz HBAYKSDOVQFJKP-HOCLYGCPSA-N 2 1 277.412 2.441 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000358182508 277332277 /nfs/dbraw/zinc/33/22/77/277332277.db2.gz CGEDRGNZCNCTII-APHBMKBZSA-N 2 1 280.387 2.443 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCCC(F)(F)C2)CC1 ZINC000358295992 277514781 /nfs/dbraw/zinc/51/47/81/277514781.db2.gz KCZKSUFVVNGHCA-ZDUSSCGKSA-N 2 1 276.371 2.265 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000248390230 278003004 /nfs/dbraw/zinc/00/30/04/278003004.db2.gz BIOFEAWEHGYCIC-HLLBOEOZSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)[C@@H](C)O1 ZINC000414274000 278013317 /nfs/dbraw/zinc/01/33/17/278013317.db2.gz ZXLJGYAZNGJXEE-VUVWGQCBSA-N 2 1 266.429 2.262 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COC3(CCCCC3)O2)CC[N@H+]1C ZINC000182135282 278026447 /nfs/dbraw/zinc/02/64/47/278026447.db2.gz BWAJCOSVUOCPIM-RBSFLKMASA-N 2 1 282.428 2.135 20 0 CEADMP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)C2 ZINC000415145936 278032509 /nfs/dbraw/zinc/03/25/09/278032509.db2.gz XHCXMCWFCXICHY-XNRPHZJLSA-N 2 1 274.408 2.283 20 0 CEADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261646671 278089311 /nfs/dbraw/zinc/08/93/11/278089311.db2.gz DRIGGBJXJKGYDO-MWLCHTKSSA-N 2 1 250.308 2.259 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000359153828 278188978 /nfs/dbraw/zinc/18/89/78/278188978.db2.gz LZIVXKWQSYSQHS-ILXRZTDVSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000347058435 278228106 /nfs/dbraw/zinc/22/81/06/278228106.db2.gz WNUQCFFQVAWBPB-NWDGAFQWSA-N 2 1 264.417 2.266 20 0 CEADMP CC1(C)CCC[C@]1(O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000354151516 278249454 /nfs/dbraw/zinc/24/94/54/278249454.db2.gz XRSAZTOIPMKGRH-DZKIICNBSA-N 2 1 266.429 2.144 20 0 CEADMP CC1(C)CC[NH+](CCOCC[N@@H+]2CCC(C)(C)C2)C1 ZINC000178724163 278258385 /nfs/dbraw/zinc/25/83/85/278258385.db2.gz CVBWEOBRDIVMME-UHFFFAOYSA-N 2 1 268.445 2.467 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C1CC1 ZINC000364382790 278282963 /nfs/dbraw/zinc/28/29/63/278282963.db2.gz PCAGQKIQCFAJHR-VRKREXBASA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C1CC1 ZINC000364382790 278282964 /nfs/dbraw/zinc/28/29/64/278282964.db2.gz PCAGQKIQCFAJHR-VRKREXBASA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)(C)CC[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000355740248 278321590 /nfs/dbraw/zinc/32/15/90/278321590.db2.gz YRKZKZPEJAPBIB-RRFJBIMHSA-N 2 1 268.445 2.390 20 0 CEADMP CC1(C)C[N@H+](CCC[NH+]2CCCC2)[C@@H]1[C@@H]1CCCO1 ZINC000377673534 278331151 /nfs/dbraw/zinc/33/11/51/278331151.db2.gz KHQGOOKORQSXHT-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP CC1(C)C[N@@H+](CCC[NH+]2CCCC2)[C@@H]1[C@@H]1CCCO1 ZINC000377673534 278331153 /nfs/dbraw/zinc/33/11/53/278331153.db2.gz KHQGOOKORQSXHT-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343572004 288090589 /nfs/dbraw/zinc/09/05/89/288090589.db2.gz OBHVYSCUCDVRDM-TWMKSMIVSA-N 2 1 281.488 2.284 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000365189730 279095365 /nfs/dbraw/zinc/09/53/65/279095365.db2.gz LXDGOYRUBQGHEC-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000359034486 279161133 /nfs/dbraw/zinc/16/11/33/279161133.db2.gz ZPDKXEOGMMMHCW-LXTVHRRPSA-N 2 1 255.450 2.035 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)Cc2ccccc21 ZINC000415104802 279179868 /nfs/dbraw/zinc/17/98/68/279179868.db2.gz LSSUVFVNAHWDGM-HNNXBMFYSA-N 2 1 261.413 2.312 20 0 CEADMP CC[C@]1(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000134570939 280026367 /nfs/dbraw/zinc/02/63/67/280026367.db2.gz VSYJXZQCQWILHG-DOTOQJQBSA-N 2 1 295.471 2.289 20 0 CEADMP C[C@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000360335020 280032744 /nfs/dbraw/zinc/03/27/44/280032744.db2.gz FPNRRCREPBHYML-HLLBOEOZSA-N 2 1 287.451 2.367 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182826136 280111318 /nfs/dbraw/zinc/11/13/18/280111318.db2.gz SVBMSPQXUOTOMH-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](CCC1CC1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000186337875 280127759 /nfs/dbraw/zinc/12/77/59/280127759.db2.gz VCFDFOPMDISMQO-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCOC)[C@@H](C)C1 ZINC000245437940 280240270 /nfs/dbraw/zinc/24/02/70/280240270.db2.gz RVBPXOVGMNIEHW-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCOC)[C@@H](C)C1 ZINC000245437940 280240265 /nfs/dbraw/zinc/24/02/65/280240265.db2.gz RVBPXOVGMNIEHW-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCOC)[C@@H](C)C1 ZINC000245437940 280240266 /nfs/dbraw/zinc/24/02/66/280240266.db2.gz RVBPXOVGMNIEHW-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000375655602 280281665 /nfs/dbraw/zinc/28/16/65/280281665.db2.gz MVMJZQKFHWIFSL-ZMSDIMECSA-N 2 1 289.423 2.113 20 0 CEADMP C[NH+](CCC[N@H+](C)C[C@H]1CCCOC1)C[C@H]1CCCOC1 ZINC000247035152 280318399 /nfs/dbraw/zinc/31/83/99/280318399.db2.gz PMSTZHDCKVVRRH-IAGOWNOFSA-N 2 1 298.471 2.093 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCO2)[C@H](C)C1 ZINC000247046233 280318839 /nfs/dbraw/zinc/31/88/39/280318839.db2.gz MZXKIMLRFWYHEV-ZACQAIPSSA-N 2 1 298.471 2.282 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247185966 280322536 /nfs/dbraw/zinc/32/25/36/280322536.db2.gz ZQAXZANZPZVFOZ-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)CC(C)(C)C ZINC000247984872 280341598 /nfs/dbraw/zinc/34/15/98/280341598.db2.gz ISAXNHVLMYVBTL-YIYPIFLZSA-N 2 1 256.434 2.102 20 0 CEADMP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1F ZINC000259002433 280528343 /nfs/dbraw/zinc/52/83/43/280528343.db2.gz NFQYNPSNZBPHBX-CHWSQXEVSA-N 2 1 252.333 2.194 20 0 CEADMP Cc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c(OC(C)C)c1 ZINC000422880248 280946706 /nfs/dbraw/zinc/94/67/06/280946706.db2.gz WOOHZJWNYULGMO-ZDUSSCGKSA-N 2 1 262.397 2.480 20 0 CEADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCCC[C@H]2N)C[C@@H](C)O1 ZINC000422915252 280962672 /nfs/dbraw/zinc/96/26/72/280962672.db2.gz XUNBKWWJCJVCKZ-QBPKDAKJSA-N 2 1 297.487 2.125 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C12CCCCC2 ZINC000422916636 280964000 /nfs/dbraw/zinc/96/40/00/280964000.db2.gz BEDNBIOIAWJAED-MELADBBJSA-N 2 1 252.402 2.066 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1c[nH+]ccc1N ZINC000423027650 280999055 /nfs/dbraw/zinc/99/90/55/280999055.db2.gz DUONMFAVHCWHQG-ZFWWWQNUSA-N 2 1 285.391 2.138 20 0 CEADMP C[C@@H]1[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)CCC[N@H+]1C ZINC000423029281 281000476 /nfs/dbraw/zinc/00/04/76/281000476.db2.gz HZJXKBXJGBUXNE-CAPXZKIUSA-N 2 1 259.397 2.204 20 0 CEADMP C[C@H]([NH2+]Cc1ccccc1N1CCCCC1)C1C[NH2+]C1 ZINC000423036905 281003655 /nfs/dbraw/zinc/00/36/55/281003655.db2.gz AVLSJAXKOYGOIU-AWEZNQCLSA-N 2 1 273.424 2.374 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NCC1(C[NH+](C)C)CCCC1 ZINC000423037862 281004398 /nfs/dbraw/zinc/00/43/98/281004398.db2.gz NHYHWLIIGCTXNK-HUUCEWRRSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NCC1(C[NH+](C)C)CCCC1 ZINC000423037860 281004464 /nfs/dbraw/zinc/00/44/64/281004464.db2.gz NHYHWLIIGCTXNK-CABCVRRESA-N 2 1 267.461 2.086 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000423039729 281005926 /nfs/dbraw/zinc/00/59/26/281005926.db2.gz RHUBJUGRJJYLEM-SDDRHHMPSA-N 2 1 253.415 2.367 20 0 CEADMP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423052939 281012029 /nfs/dbraw/zinc/01/20/29/281012029.db2.gz RKEWLZXQVCTRHZ-WDEREUQCSA-N 2 1 264.417 2.205 20 0 CEADMP CC(C)N(C)c1ccccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423059686 281014577 /nfs/dbraw/zinc/01/45/77/281014577.db2.gz MPRQACXUTPZPOI-ZDUSSCGKSA-N 2 1 261.413 2.229 20 0 CEADMP COc1ncc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000423406495 281032041 /nfs/dbraw/zinc/03/20/41/281032041.db2.gz UTEZAPXQABOFOX-KWBADKCTSA-N 2 1 283.803 2.392 20 0 CEADMP Brc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423424986 281037637 /nfs/dbraw/zinc/03/76/37/281037637.db2.gz GFOLSYZUIGURKQ-RQJABVFESA-N 2 1 293.208 2.244 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000423425041 281037705 /nfs/dbraw/zinc/03/77/05/281037705.db2.gz MEYKCBQYOAISBU-XEZPLFJOSA-N 2 1 287.407 2.015 20 0 CEADMP c1c2c(cc3c1OCCC[C@H]3[NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423431897 281039627 /nfs/dbraw/zinc/03/96/27/281039627.db2.gz MBSSRHVOLQERIW-HPFXQQBRSA-N 2 1 284.403 2.196 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000423438403 281042615 /nfs/dbraw/zinc/04/26/15/281042615.db2.gz VDKGRBCMOXYZOF-XUJVJEKNSA-N 2 1 287.407 2.061 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CSCCc2ccccc21)[C@H](C)[NH3+] ZINC000423439145 281042853 /nfs/dbraw/zinc/04/28/53/281042853.db2.gz HMKPFQGGGNLCLD-MISXGVKJSA-N 2 1 250.411 2.342 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000423439582 281043037 /nfs/dbraw/zinc/04/30/37/281043037.db2.gz AFFKTQJYVKQMFW-GXTWGEPZSA-N 2 1 296.411 2.108 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c(C)c1 ZINC000423511912 281057068 /nfs/dbraw/zinc/05/70/68/281057068.db2.gz KODBSDPKPZJHSX-HUUCEWRRSA-N 2 1 262.397 2.333 20 0 CEADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423516149 281060440 /nfs/dbraw/zinc/06/04/40/281060440.db2.gz NMHQNQBMACAUBY-QZTJIDSGSA-N 2 1 289.467 2.137 20 0 CEADMP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423519553 281062333 /nfs/dbraw/zinc/06/23/33/281062333.db2.gz PZQCWHZAXLBCJG-BMFZPTHFSA-N 3 1 261.413 2.197 20 0 CEADMP C[N@H+]1CCCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424155073 281123802 /nfs/dbraw/zinc/12/38/02/281123802.db2.gz NEVUQCHGZGEYNI-INIZCTEOSA-N 2 1 295.471 2.228 20 0 CEADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000424299515 281143597 /nfs/dbraw/zinc/14/35/97/281143597.db2.gz FBNHHIQDDHRWFD-HZPDHXFCSA-N 2 1 270.380 2.232 20 0 CEADMP CCCn1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cn1 ZINC000424384667 281155555 /nfs/dbraw/zinc/15/55/55/281155555.db2.gz VKJQLECIHMLOGU-AWEZNQCLSA-N 2 1 276.428 2.257 20 0 CEADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)C(C)(C)C ZINC000424533390 281161388 /nfs/dbraw/zinc/16/13/88/281161388.db2.gz LOMVFKXUXZOUAL-KGLIPLIRSA-N 2 1 297.487 2.342 20 0 CEADMP CCc1cccc(OCC[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000430617461 281269957 /nfs/dbraw/zinc/26/99/57/281269957.db2.gz MXLLTFXHXDFGOO-HNNXBMFYSA-N 2 1 262.397 2.299 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(F)cc1 ZINC000430625583 281270861 /nfs/dbraw/zinc/27/08/61/281270861.db2.gz QMRBNRGJLJUJNF-IUODEOHRSA-N 2 1 293.386 2.356 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(F)cc1 ZINC000430625583 281270862 /nfs/dbraw/zinc/27/08/62/281270862.db2.gz QMRBNRGJLJUJNF-IUODEOHRSA-N 2 1 293.386 2.356 20 0 CEADMP CO[C@@H](C)c1nc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cs1 ZINC000430927184 281281530 /nfs/dbraw/zinc/28/15/30/281281530.db2.gz QDPKSDRPDWUFOC-QWRGUYRKSA-N 2 1 283.441 2.410 20 0 CEADMP CC[NH+](CC)CCCNc1[nH+]c2ccc(F)cc2n1C ZINC000431038171 281287798 /nfs/dbraw/zinc/28/77/98/281287798.db2.gz NKKASYQLFHNUDY-UHFFFAOYSA-N 2 1 278.375 2.278 20 0 CEADMP CC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435688412 281391507 /nfs/dbraw/zinc/39/15/07/281391507.db2.gz OSTJXDMRIFKOBG-LLVKDONJSA-N 2 1 251.399 2.107 20 0 CEADMP CC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435688412 281391509 /nfs/dbraw/zinc/39/15/09/281391509.db2.gz OSTJXDMRIFKOBG-LLVKDONJSA-N 2 1 251.399 2.107 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@]2(O)CCCC(C)(C)C2)CC1 ZINC000437084951 281410616 /nfs/dbraw/zinc/41/06/16/281410616.db2.gz DPZCKBJDPDGMCO-KRWDZBQOSA-N 2 1 298.471 2.018 20 0 CEADMP C[C@@]1(C[N@H+]2CCCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000261976472 289163607 /nfs/dbraw/zinc/16/36/07/289163607.db2.gz IUDZGHQQIUQHLZ-QGZVFWFLSA-N 2 1 273.424 2.198 20 0 CEADMP CN(CCC[N@@H+](C)C[C@@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000157628961 289217832 /nfs/dbraw/zinc/21/78/32/289217832.db2.gz ZDJXNGVLAQWFSR-IRXDYDNUSA-N 2 1 298.471 2.378 20 0 CEADMP C[NH+](CCC[N@@H+](C)C[C@@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000157628961 289217834 /nfs/dbraw/zinc/21/78/34/289217834.db2.gz ZDJXNGVLAQWFSR-IRXDYDNUSA-N 2 1 298.471 2.378 20 0 CEADMP C[NH+](CCC[N@H+](C)C[C@@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000157628961 289217837 /nfs/dbraw/zinc/21/78/37/289217837.db2.gz ZDJXNGVLAQWFSR-IRXDYDNUSA-N 2 1 298.471 2.378 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)C(C)(C)CO)s1 ZINC000352749999 289226886 /nfs/dbraw/zinc/22/68/86/289226886.db2.gz OGRJSDDGOAWNLR-UHFFFAOYSA-N 2 1 285.457 2.091 20 0 CEADMP CC[C@@H]1C[N@H+](CCCN2C[C@H](C)O[C@@H](CC)C2)C[C@H](C)O1 ZINC000158091540 289227654 /nfs/dbraw/zinc/22/76/54/289227654.db2.gz ZNSPMDAJBFTXSW-LUKYLMHMSA-N 2 1 298.471 2.375 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCN2C[C@H](C)O[C@@H](CC)C2)C[C@H](C)O1 ZINC000158091540 289227656 /nfs/dbraw/zinc/22/76/56/289227656.db2.gz ZNSPMDAJBFTXSW-LUKYLMHMSA-N 2 1 298.471 2.375 20 0 CEADMP Cc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000158775588 289240453 /nfs/dbraw/zinc/24/04/53/289240453.db2.gz MTNXTUFCSOLMIU-OCCSQVGLSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000158775588 289240454 /nfs/dbraw/zinc/24/04/54/289240454.db2.gz MTNXTUFCSOLMIU-OCCSQVGLSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000158775588 289240455 /nfs/dbraw/zinc/24/04/55/289240455.db2.gz MTNXTUFCSOLMIU-OCCSQVGLSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000158775588 289240456 /nfs/dbraw/zinc/24/04/56/289240456.db2.gz MTNXTUFCSOLMIU-OCCSQVGLSA-N 2 1 265.426 2.368 20 0 CEADMP CCn1nc(C)c(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000307962473 289276243 /nfs/dbraw/zinc/27/62/43/289276243.db2.gz BIOSYSLCEADFMN-HNNXBMFYSA-N 2 1 278.444 2.340 20 0 CEADMP CCn1nc(C)c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1C ZINC000307962473 289276249 /nfs/dbraw/zinc/27/62/49/289276249.db2.gz BIOSYSLCEADFMN-HNNXBMFYSA-N 2 1 278.444 2.340 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+]CCc1c[nH+]cn1C ZINC000401707693 289288502 /nfs/dbraw/zinc/28/85/02/289288502.db2.gz FRNUEFNLQKSMHX-GFCCVEGCSA-N 2 1 261.344 2.323 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+]CCc1c[nH+]cn1C)CC2 ZINC000401889389 289289025 /nfs/dbraw/zinc/28/90/25/289289025.db2.gz WJQVIIYRLHVVIN-INIZCTEOSA-N 2 1 271.364 2.248 20 0 CEADMP C[NH+](C)Cc1ccc(C[NH2+]Cc2cn3cccnc3n2)cc1 ZINC000459368884 290128024 /nfs/dbraw/zinc/12/80/24/290128024.db2.gz DLWVMMZVTRSOIS-UHFFFAOYSA-N 2 1 295.390 2.081 20 0 CEADMP C[C@@H](CNC1CC[NH+](C2CC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000459367320 290128187 /nfs/dbraw/zinc/12/81/87/290128187.db2.gz DMNLEINIFSZKNV-CABCVRRESA-N 2 1 279.472 2.466 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1SC ZINC000459389897 290134335 /nfs/dbraw/zinc/13/43/35/290134335.db2.gz NYYUGAGISABDOB-ZNMIVQPWSA-N 2 1 284.469 2.112 20 0 CEADMP CC(C)[C@@H](CO)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)C ZINC000459568281 290182162 /nfs/dbraw/zinc/18/21/62/290182162.db2.gz BMJHDBYGSZPHCG-SJORKVTESA-N 2 1 282.472 2.492 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@H]1C ZINC000459730599 290219779 /nfs/dbraw/zinc/21/97/79/290219779.db2.gz DXKRVSGIOVGGGU-VGWMRTNUSA-N 2 1 296.455 2.286 20 0 CEADMP COCC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471849039 290288030 /nfs/dbraw/zinc/28/80/30/290288030.db2.gz RKASTGQZGVZKIB-DLBZAZTESA-N 2 1 276.424 2.305 20 0 CEADMP C(=C\c1ccncc1)\C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000486956793 290323722 /nfs/dbraw/zinc/32/37/22/290323722.db2.gz OSPXBFGMRMBMBO-OYADATRGSA-N 2 1 257.381 2.169 20 0 CEADMP C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000488407080 290395822 /nfs/dbraw/zinc/39/58/22/290395822.db2.gz BMNIOFVUQWMEPR-QAPCUYQASA-N 2 1 287.451 2.180 20 0 CEADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2nccc(N)n2)CC1 ZINC000514946144 297559028 /nfs/dbraw/zinc/55/90/28/297559028.db2.gz BEMKKUPLSQNFLT-CYBMUJFWSA-N 2 1 291.443 2.004 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccnc(C)c1 ZINC000527653233 297733595 /nfs/dbraw/zinc/73/35/95/297733595.db2.gz MTAXPYAXFNOLMF-LBPRGKRZSA-N 2 1 258.369 2.321 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000530212052 298050770 /nfs/dbraw/zinc/05/07/70/298050770.db2.gz ODSLJSISOAYWNS-IJLUTSLNSA-N 2 1 290.333 2.236 20 0 CEADMP OCc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000530223788 298056695 /nfs/dbraw/zinc/05/66/95/298056695.db2.gz PSXQCLNTYBBQHO-LSDHHAIUSA-N 2 1 292.398 2.140 20 0 CEADMP Cc1ccc(CCC[NH2+][C@H]2CC[NH2+]C23CCC3)cn1 ZINC000530242683 298058511 /nfs/dbraw/zinc/05/85/11/298058511.db2.gz CNUUEHYYQGSJHK-HNNXBMFYSA-N 2 1 259.397 2.197 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2c(c1)CCC(=O)N2 ZINC000530407495 298069104 /nfs/dbraw/zinc/06/91/04/298069104.db2.gz PNNPHMGLWGXLLB-GFCCVEGCSA-N 2 1 298.390 2.198 20 0 CEADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cn1 ZINC000530407292 298069131 /nfs/dbraw/zinc/06/91/31/298069131.db2.gz MULLCKPJSYZYEA-OAHLLOKOSA-N 2 1 276.359 2.484 20 0 CEADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cscn2)CC1 ZINC000535064563 298183074 /nfs/dbraw/zinc/18/30/74/298183074.db2.gz LJIRSJGMFIEBAU-CQSZACIVSA-N 2 1 296.484 2.211 20 0 CEADMP CC[NH+]1CCC(N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000539299800 298246714 /nfs/dbraw/zinc/24/67/14/298246714.db2.gz YYUINTIWWHDKTE-KRWDZBQOSA-N 2 1 273.424 2.247 20 0 CEADMP CC[NH+]1CCC(N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000539299800 298246717 /nfs/dbraw/zinc/24/67/17/298246717.db2.gz YYUINTIWWHDKTE-KRWDZBQOSA-N 2 1 273.424 2.247 20 0 CEADMP COCC[NH2+]C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000564801367 298848456 /nfs/dbraw/zinc/84/84/56/298848456.db2.gz FWGVWZZBPCTVMD-UHFFFAOYSA-N 2 1 262.397 2.195 20 0 CEADMP CC[C@@H](F)C[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000500403723 313032308 /nfs/dbraw/zinc/03/23/08/313032308.db2.gz CNFGTJKPZGOWLP-SQWLQELKSA-N 2 1 296.434 2.483 20 0 CEADMP CC[C@@H](F)CN(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000500403723 313032309 /nfs/dbraw/zinc/03/23/09/313032309.db2.gz CNFGTJKPZGOWLP-SQWLQELKSA-N 2 1 296.434 2.483 20 0 CEADMP CC[C@@H](F)CN(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000500403723 313032311 /nfs/dbraw/zinc/03/23/11/313032311.db2.gz CNFGTJKPZGOWLP-SQWLQELKSA-N 2 1 296.434 2.483 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H](CO)c1ccccc1C ZINC000514950757 313061981 /nfs/dbraw/zinc/06/19/81/313061981.db2.gz OESRWLDFOVXICC-MRXNPFEDSA-N 2 1 264.413 2.350 20 0 CEADMP COc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)OC)c1 ZINC000527918200 313214610 /nfs/dbraw/zinc/21/46/10/313214610.db2.gz FXXZUCJIBBVGID-QRTARXTBSA-N 2 1 292.423 2.455 20 0 CEADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)OC)c1 ZINC000527918201 313214942 /nfs/dbraw/zinc/21/49/42/313214942.db2.gz FXXZUCJIBBVGID-UNEWFSDZSA-N 2 1 292.423 2.455 20 0 CEADMP COc1cccc([C@H]2C[N@@H+](CCC[NH3+])CC2(C)C)c1 ZINC000530232005 313286391 /nfs/dbraw/zinc/28/63/91/313286391.db2.gz UBWFKMNGAQKOMX-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP Cc1ccc2c(C)cc(N3CCCO[C@@H](C[NH3+])C3)[nH+]c2c1 ZINC000569095819 313984804 /nfs/dbraw/zinc/98/48/04/313984804.db2.gz ADHCHGHQPIMETA-AWEZNQCLSA-N 2 1 285.391 2.406 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(C2CC2)s1 ZINC000570026333 314023142 /nfs/dbraw/zinc/02/31/42/314023142.db2.gz OWMNESBJGGKZRZ-SKDRFNHKSA-N 2 1 251.399 2.108 20 0 CEADMP Cc1ccccc1[C@H]1C[N@@H+](CCc2cncn2C)CCO1 ZINC000570609586 314048383 /nfs/dbraw/zinc/04/83/83/314048383.db2.gz RULIPYAJCLTYLI-QGZVFWFLSA-N 2 1 285.391 2.345 20 0 CEADMP Cc1ccccc1[C@H]1CN(CCc2cncn2C)CCO1 ZINC000570609586 314048386 /nfs/dbraw/zinc/04/83/86/314048386.db2.gz RULIPYAJCLTYLI-QGZVFWFLSA-N 2 1 285.391 2.345 20 0 CEADMP [NH3+]CCC1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000570808614 314060377 /nfs/dbraw/zinc/06/03/77/314060377.db2.gz UMKAILULOWTZNU-UHFFFAOYSA-N 2 1 289.427 2.051 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000574126344 314187933 /nfs/dbraw/zinc/18/79/33/314187933.db2.gz INXYUQTWDBCMDQ-ZIAGYGMSSA-N 2 1 287.411 2.012 20 0 CEADMP c1cc(C[NH2+]Cc2cnccn2)cc(C[NH+]2CCCC2)c1 ZINC000575967594 314227651 /nfs/dbraw/zinc/22/76/51/314227651.db2.gz MOPPXQOBIQSQAD-UHFFFAOYSA-N 2 1 282.391 2.362 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CCN1C ZINC000576166472 314249555 /nfs/dbraw/zinc/24/95/55/314249555.db2.gz QBFFQYLQBYFVIM-RDTXWAMCSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@H](N(C)Cc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1C ZINC000576166472 314249559 /nfs/dbraw/zinc/24/95/59/314249559.db2.gz QBFFQYLQBYFVIM-RDTXWAMCSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@H](N(C)Cc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1C ZINC000576166472 314249563 /nfs/dbraw/zinc/24/95/63/314249563.db2.gz QBFFQYLQBYFVIM-RDTXWAMCSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1C ZINC000576166472 314249564 /nfs/dbraw/zinc/24/95/64/314249564.db2.gz QBFFQYLQBYFVIM-RDTXWAMCSA-N 3 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1C ZINC000576166472 314249568 /nfs/dbraw/zinc/24/95/68/314249568.db2.gz QBFFQYLQBYFVIM-RDTXWAMCSA-N 3 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC[NH+]1C ZINC000576166472 314249569 /nfs/dbraw/zinc/24/95/69/314249569.db2.gz QBFFQYLQBYFVIM-RDTXWAMCSA-N 3 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC[NH+]1C ZINC000576166472 314249573 /nfs/dbraw/zinc/24/95/73/314249573.db2.gz QBFFQYLQBYFVIM-RDTXWAMCSA-N 3 1 287.451 2.247 20 0 CEADMP CCc1cnc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)o1 ZINC000576520809 314284105 /nfs/dbraw/zinc/28/41/05/314284105.db2.gz OBIUVCZKLPPUIB-GFCCVEGCSA-N 2 1 263.385 2.201 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cnc(C3CC3)s2)CC[NH2+]1 ZINC000576959582 314328397 /nfs/dbraw/zinc/32/83/97/314328397.db2.gz LNWFFARRMAKIFC-ONGXEEELSA-N 2 1 251.399 2.251 20 0 CEADMP C[C@H](C[NH2+]C[C@](C)(O)C(F)(F)F)C[NH+]1CCCCC1 ZINC000577858947 314421264 /nfs/dbraw/zinc/42/12/64/314421264.db2.gz FDURGDLRWALHGF-NEPJUHHUSA-N 2 1 282.350 2.011 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H](C)O ZINC000386716162 321873586 /nfs/dbraw/zinc/87/35/86/321873586.db2.gz QUQCNXGPDISYCD-RHSMWYFYSA-N 2 1 276.424 2.400 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000579849381 321897763 /nfs/dbraw/zinc/89/77/63/321897763.db2.gz VQKXSMIGXIKOLY-UHFFFAOYSA-N 3 1 290.455 2.161 20 0 CEADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000580271002 321926710 /nfs/dbraw/zinc/92/67/10/321926710.db2.gz CLWIXTZFMFXNGZ-ILXRZTDVSA-N 2 1 293.480 2.282 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(OC)c1 ZINC000580773693 322342714 /nfs/dbraw/zinc/34/27/14/322342714.db2.gz GTZVNYNLRGHESZ-QGZVFWFLSA-N 2 1 290.407 2.279 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(OC)c1 ZINC000580773693 322342717 /nfs/dbraw/zinc/34/27/17/322342717.db2.gz GTZVNYNLRGHESZ-QGZVFWFLSA-N 2 1 290.407 2.279 20 0 CEADMP C[C@H](Cc1ccsc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000580860999 322349981 /nfs/dbraw/zinc/34/99/81/322349981.db2.gz PHRUTICREVMWRN-OAHLLOKOSA-N 2 1 297.512 2.494 20 0 CEADMP C[NH+]1CCN(C[C@@H]([NH2+]CC2(F)CC2)c2ccccc2)CC1 ZINC000581106446 322369486 /nfs/dbraw/zinc/36/94/86/322369486.db2.gz GGOHMCIJICYVOG-MRXNPFEDSA-N 2 1 291.414 2.067 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000581318454 322386792 /nfs/dbraw/zinc/38/67/92/322386792.db2.gz TUASTGFKRAJVAQ-SOUVJXGZSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000581318454 322386793 /nfs/dbraw/zinc/38/67/93/322386793.db2.gz TUASTGFKRAJVAQ-SOUVJXGZSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000581318454 322386796 /nfs/dbraw/zinc/38/67/96/322386796.db2.gz TUASTGFKRAJVAQ-SOUVJXGZSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000581318567 322386583 /nfs/dbraw/zinc/38/65/83/322386583.db2.gz ZICGBAOJXZGVRG-MCIONIFRSA-N 2 1 256.434 2.103 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)C[C@H]1C ZINC000414835769 500696467 /nfs/dbraw/zinc/69/64/67/500696467.db2.gz HTEBHSSKXUHUSB-LXTVHRRPSA-N 2 1 284.444 2.317 20 0 CEADMP CCC(CC)(CO)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000161487498 521451751 /nfs/dbraw/zinc/45/17/51/521451751.db2.gz KQMDJJMVFVRCGO-UHFFFAOYSA-N 2 1 254.418 2.002 20 0 CEADMP [NH3+]C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000020266871 534566927 /nfs/dbraw/zinc/56/69/27/534566927.db2.gz QAAJMUSXETZUIR-UHFFFAOYSA-N 2 1 299.212 2.251 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000157327567 521977735 /nfs/dbraw/zinc/97/77/35/521977735.db2.gz SMXSXFKGCMKPGY-UHFFFAOYSA-N 2 1 298.228 2.276 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1C ZINC000161790238 522490714 /nfs/dbraw/zinc/49/07/14/522490714.db2.gz FMRSGSNAZTWRBY-ZFWWWQNUSA-N 2 1 262.397 2.433 20 0 CEADMP C[NH+]1CCC([NH+]2CCC(CC[NH2+]CC3CC3)CC2)CC1 ZINC000363663215 523767732 /nfs/dbraw/zinc/76/77/32/523767732.db2.gz RWKFKTCYYBVPSR-UHFFFAOYSA-N 3 1 279.472 2.182 20 0 CEADMP C[NH+](C)C(C)(C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000365889672 524032925 /nfs/dbraw/zinc/03/29/25/524032925.db2.gz UHXQEKNSIFWPIR-HZSPNIEDSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1ccc(C[N@@H+](CCOCC[NH3+])C2CC2)cc1C ZINC000357103774 524415849 /nfs/dbraw/zinc/41/58/49/524415849.db2.gz KZRXPPYUQGWDJV-UHFFFAOYSA-N 2 1 262.397 2.243 20 0 CEADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccn1C ZINC000363415295 524977391 /nfs/dbraw/zinc/97/73/91/524977391.db2.gz DWQLGIPLILMQCW-OIISXLGYSA-N 2 1 291.439 2.004 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccn1C ZINC000363415295 524977403 /nfs/dbraw/zinc/97/74/03/524977403.db2.gz DWQLGIPLILMQCW-OIISXLGYSA-N 2 1 291.439 2.004 20 0 CEADMP Cc1c[nH]nc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000289574755 526030855 /nfs/dbraw/zinc/03/08/55/526030855.db2.gz SCEAKLCCRNLRCO-UHFFFAOYSA-N 2 1 285.395 2.119 20 0 CEADMP c1cc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)ncn1 ZINC000363459135 526435352 /nfs/dbraw/zinc/43/53/52/526435352.db2.gz HLYXNPSSYKCPTE-OAHLLOKOSA-N 2 1 274.412 2.142 20 0 CEADMP c1cc([C@@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)ncn1 ZINC000363459135 526435356 /nfs/dbraw/zinc/43/53/56/526435356.db2.gz HLYXNPSSYKCPTE-OAHLLOKOSA-N 2 1 274.412 2.142 20 0 CEADMP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000157904338 526713847 /nfs/dbraw/zinc/71/38/47/526713847.db2.gz RDCKIWBAYBGZMT-ZWNOBZJWSA-N 2 1 267.442 2.375 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCC12CCOCC2 ZINC000374285384 527438430 /nfs/dbraw/zinc/43/84/30/527438430.db2.gz BLEILFBJGPVLOB-ZFWWWQNUSA-N 2 1 277.412 2.376 20 0 CEADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[C@@H]1CCOC1 ZINC000400690720 527485840 /nfs/dbraw/zinc/48/58/40/527485840.db2.gz MCUFAWFYDZVVHW-RBSFLKMASA-N 2 1 252.402 2.020 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2(O)CCC2)C[C@@H]1C ZINC000411115718 527754211 /nfs/dbraw/zinc/75/42/11/527754211.db2.gz FTEKFKXJBDFZJX-UONOGXRCSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2(O)CCC2)C[C@@H]1C ZINC000411115718 527754213 /nfs/dbraw/zinc/75/42/13/527754213.db2.gz FTEKFKXJBDFZJX-UONOGXRCSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2(O)CCC2)C[C@@H]1C ZINC000411115718 527754216 /nfs/dbraw/zinc/75/42/16/527754216.db2.gz FTEKFKXJBDFZJX-UONOGXRCSA-N 2 1 254.418 2.096 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000177823822 527851640 /nfs/dbraw/zinc/85/16/40/527851640.db2.gz BAVRGZBQGLWDOY-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000177823822 527851646 /nfs/dbraw/zinc/85/16/46/527851646.db2.gz BAVRGZBQGLWDOY-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000177823822 527851649 /nfs/dbraw/zinc/85/16/49/527851649.db2.gz BAVRGZBQGLWDOY-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000177823822 527851652 /nfs/dbraw/zinc/85/16/52/527851652.db2.gz BAVRGZBQGLWDOY-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000414345751 527879791 /nfs/dbraw/zinc/87/97/91/527879791.db2.gz PGGGUAHTQDCHCV-INIZCTEOSA-N 2 1 279.472 2.467 20 0 CEADMP CCN1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000414345751 527879793 /nfs/dbraw/zinc/87/97/93/527879793.db2.gz PGGGUAHTQDCHCV-INIZCTEOSA-N 2 1 279.472 2.467 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000355881510 528149180 /nfs/dbraw/zinc/14/91/80/528149180.db2.gz QQBPZMDNISZOBT-LBPRGKRZSA-N 2 1 282.350 2.372 20 0 CEADMP CC(C)C[C@@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000355911815 528257683 /nfs/dbraw/zinc/25/76/83/528257683.db2.gz YPVDBPWGIFIMIJ-CQSZACIVSA-N 2 1 256.434 2.200 20 0 CEADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000414951350 528284997 /nfs/dbraw/zinc/28/49/97/528284997.db2.gz PTIYFVILIXLASJ-OCCSQVGLSA-N 2 1 278.396 2.324 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[N@H+](CC)C[C@H]1CC ZINC000412392766 528995501 /nfs/dbraw/zinc/99/55/01/528995501.db2.gz CLINUBBKOJCCPQ-HUUCEWRRSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC000412392766 528995506 /nfs/dbraw/zinc/99/55/06/528995506.db2.gz CLINUBBKOJCCPQ-HUUCEWRRSA-N 2 1 283.460 2.096 20 0 CEADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)C1 ZINC000355957572 529086180 /nfs/dbraw/zinc/08/61/80/529086180.db2.gz ZRBIEWYBTKYQGH-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP Cc1[nH+]cc(CN2CC([N@H+](C)Cc3ccccc3)C2)n1C ZINC000668231610 538753547 /nfs/dbraw/zinc/75/35/47/538753547.db2.gz FVWZQTJYURWNKS-UHFFFAOYSA-N 2 1 284.407 2.045 20 0 CEADMP Cc1[nH+]cc(CN2CC([N@@H+](C)Cc3ccccc3)C2)n1C ZINC000668231610 538753552 /nfs/dbraw/zinc/75/35/52/538753552.db2.gz FVWZQTJYURWNKS-UHFFFAOYSA-N 2 1 284.407 2.045 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348123754 538853287 /nfs/dbraw/zinc/85/32/87/538853287.db2.gz MLFTZAAGNWEHSQ-HRCADAONSA-N 2 1 266.429 2.002 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNc1cc(C)[nH+]c(N)n1 ZINC000733302414 574663070 /nfs/dbraw/zinc/66/30/70/574663070.db2.gz SWJNCTORMHJYIV-GFCCVEGCSA-N 2 1 263.389 2.044 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000733614231 574683161 /nfs/dbraw/zinc/68/31/61/574683161.db2.gz GKSCCDPYUKYWAU-UWVGGRQHSA-N 2 1 251.201 2.064 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000733614231 574683163 /nfs/dbraw/zinc/68/31/63/574683163.db2.gz GKSCCDPYUKYWAU-UWVGGRQHSA-N 2 1 251.201 2.064 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000738427854 574862412 /nfs/dbraw/zinc/86/24/12/574862412.db2.gz TYQUQXJUAKUXRF-HRCADAONSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000738427854 574862415 /nfs/dbraw/zinc/86/24/15/574862415.db2.gz TYQUQXJUAKUXRF-HRCADAONSA-N 2 1 268.445 2.344 20 0 CEADMP CCCOC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000741783014 574997969 /nfs/dbraw/zinc/99/79/69/574997969.db2.gz PSOQHGHPAFKFKV-AWEZNQCLSA-N 2 1 284.444 2.380 20 0 CEADMP CCCOC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000741783014 574997971 /nfs/dbraw/zinc/99/79/71/574997971.db2.gz PSOQHGHPAFKFKV-AWEZNQCLSA-N 2 1 284.444 2.380 20 0 CEADMP CC(C)[N@H+](C)CC1CC[NH+](Cn2cc[nH]c2=S)CC1 ZINC000743363369 575050855 /nfs/dbraw/zinc/05/08/55/575050855.db2.gz FPLKEFXDFNYVKN-UHFFFAOYSA-N 2 1 282.457 2.182 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2cc[nH]c2=S)CC1 ZINC000743363369 575050857 /nfs/dbraw/zinc/05/08/57/575050857.db2.gz FPLKEFXDFNYVKN-UHFFFAOYSA-N 2 1 282.457 2.182 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCCCO)CC[N@@H+]1C ZINC000744405003 575120546 /nfs/dbraw/zinc/12/05/46/575120546.db2.gz IPGHNKIATSZDRQ-CABCVRRESA-N 2 1 256.434 2.344 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCCCO)CC[N@H+]1C ZINC000744405003 575120547 /nfs/dbraw/zinc/12/05/47/575120547.db2.gz IPGHNKIATSZDRQ-CABCVRRESA-N 2 1 256.434 2.344 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCCCCO)CC[NH+]1C ZINC000744405003 575120548 /nfs/dbraw/zinc/12/05/48/575120548.db2.gz IPGHNKIATSZDRQ-CABCVRRESA-N 2 1 256.434 2.344 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCCCCO)CC[NH+]1C ZINC000744405003 575120549 /nfs/dbraw/zinc/12/05/49/575120549.db2.gz IPGHNKIATSZDRQ-CABCVRRESA-N 2 1 256.434 2.344 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H](Nc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000749279414 575212362 /nfs/dbraw/zinc/21/23/62/575212362.db2.gz GCTDYQLSSVNFGB-KBPBESRZSA-N 2 1 289.427 2.362 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000749446052 575220196 /nfs/dbraw/zinc/22/01/96/575220196.db2.gz KYSVLTGYDRMTSG-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)[NH2+][C@H]1CCC[N@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000753745716 575339165 /nfs/dbraw/zinc/33/91/65/575339165.db2.gz BZAUNHFNHPJLHU-INIZCTEOSA-N 2 1 296.455 2.382 20 0 CEADMP CC(C)[NH2+][C@H]1CCC[N@@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000753745716 575339167 /nfs/dbraw/zinc/33/91/67/575339167.db2.gz BZAUNHFNHPJLHU-INIZCTEOSA-N 2 1 296.455 2.382 20 0 CEADMP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000983862851 613953794 /nfs/dbraw/zinc/95/37/94/613953794.db2.gz JQLGMTWSTHICDS-BZUAXINKSA-N 2 1 295.471 2.142 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)C(C)C)C1 ZINC000971843523 614093388 /nfs/dbraw/zinc/09/33/88/614093388.db2.gz JYNRJZTZMJQYMQ-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC000971843523 614093389 /nfs/dbraw/zinc/09/33/89/614093389.db2.gz JYNRJZTZMJQYMQ-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC000971843523 614093390 /nfs/dbraw/zinc/09/33/90/614093390.db2.gz JYNRJZTZMJQYMQ-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](CCC(C)(C)C)C1 ZINC000949796987 614620034 /nfs/dbraw/zinc/62/00/34/614620034.db2.gz YDDQMCQOLHMGJS-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000960911017 614858408 /nfs/dbraw/zinc/85/84/08/614858408.db2.gz YZPRPGBUCJILRG-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000960911017 614858410 /nfs/dbraw/zinc/85/84/10/614858410.db2.gz YZPRPGBUCJILRG-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000960911017 614858411 /nfs/dbraw/zinc/85/84/11/614858411.db2.gz YZPRPGBUCJILRG-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000970927376 614970223 /nfs/dbraw/zinc/97/02/23/614970223.db2.gz CXNKORJVOQOWMB-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000951195761 614993886 /nfs/dbraw/zinc/99/38/86/614993886.db2.gz KUESARMYVBLIHO-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000951195761 614993889 /nfs/dbraw/zinc/99/38/89/614993889.db2.gz KUESARMYVBLIHO-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948717029 615136552 /nfs/dbraw/zinc/13/65/52/615136552.db2.gz KJXJXSQAWRJLCX-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000948717029 615136554 /nfs/dbraw/zinc/13/65/54/615136554.db2.gz KJXJXSQAWRJLCX-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000948717029 615136555 /nfs/dbraw/zinc/13/65/55/615136555.db2.gz KJXJXSQAWRJLCX-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364175 615136601 /nfs/dbraw/zinc/13/66/01/615136601.db2.gz CBIQSDHSSXPVOJ-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364175 615136602 /nfs/dbraw/zinc/13/66/02/615136602.db2.gz CBIQSDHSSXPVOJ-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948364175 615136603 /nfs/dbraw/zinc/13/66/03/615136603.db2.gz CBIQSDHSSXPVOJ-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@H+]1C[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974681743 615413913 /nfs/dbraw/zinc/41/39/13/615413913.db2.gz LJMNDUAZLHFCBD-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1C[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974681743 615413914 /nfs/dbraw/zinc/41/39/14/615413914.db2.gz LJMNDUAZLHFCBD-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1C[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974681743 615413915 /nfs/dbraw/zinc/41/39/15/615413915.db2.gz LJMNDUAZLHFCBD-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H](C)C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000981953639 615652997 /nfs/dbraw/zinc/65/29/97/615652997.db2.gz QEWNGYXRRJQVPM-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000981953639 615652998 /nfs/dbraw/zinc/65/29/98/615652998.db2.gz QEWNGYXRRJQVPM-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000981953639 615653000 /nfs/dbraw/zinc/65/30/00/615653000.db2.gz QEWNGYXRRJQVPM-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC(C)(C)C)CC1 ZINC000980834293 616209183 /nfs/dbraw/zinc/20/91/83/616209183.db2.gz QZIINXZQQKIRRM-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000980834293 616209184 /nfs/dbraw/zinc/20/91/84/616209184.db2.gz QZIINXZQQKIRRM-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000980834293 616209185 /nfs/dbraw/zinc/20/91/85/616209185.db2.gz QZIINXZQQKIRRM-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024437090 625559364 /nfs/dbraw/zinc/55/93/64/625559364.db2.gz NMKCGQFIMRWQCI-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001024437090 625559367 /nfs/dbraw/zinc/55/93/67/625559367.db2.gz NMKCGQFIMRWQCI-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001024437090 625559376 /nfs/dbraw/zinc/55/93/76/625559376.db2.gz NMKCGQFIMRWQCI-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001024510012 625590666 /nfs/dbraw/zinc/59/06/66/625590666.db2.gz BHNFJKIQYLUMAH-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024510012 625590669 /nfs/dbraw/zinc/59/06/69/625590669.db2.gz BHNFJKIQYLUMAH-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024510012 625590674 /nfs/dbraw/zinc/59/06/74/625590674.db2.gz BHNFJKIQYLUMAH-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001024510012 625590680 /nfs/dbraw/zinc/59/06/80/625590680.db2.gz BHNFJKIQYLUMAH-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001024510012 625590685 /nfs/dbraw/zinc/59/06/85/625590685.db2.gz BHNFJKIQYLUMAH-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001024522164 625596182 /nfs/dbraw/zinc/59/61/82/625596182.db2.gz CLPNEXIBBGUJDJ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001024522164 625596191 /nfs/dbraw/zinc/59/61/91/625596191.db2.gz CLPNEXIBBGUJDJ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)[NH+](C)C ZINC000078736453 622839384 /nfs/dbraw/zinc/83/93/84/622839384.db2.gz XVQMGCPASOHDHK-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000050248291 623373583 /nfs/dbraw/zinc/37/35/83/623373583.db2.gz HPRBMJPUYOSNMM-CQSZACIVSA-N 2 1 270.376 2.499 20 0 CEADMP CC(C)(C)C[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000307840153 623381018 /nfs/dbraw/zinc/38/10/18/623381018.db2.gz BEYQKXAYLMTOKQ-HUUCEWRRSA-N 2 1 268.445 2.201 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(C)C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000261597239 623390634 /nfs/dbraw/zinc/39/06/34/623390634.db2.gz MWPLNNKPZAABBQ-RYRKJORJSA-N 2 1 287.451 2.363 20 0 CEADMP Cc1cc(N)nc(NC[C@@H](c2ccco2)[NH+]2CCCC2)[nH+]1 ZINC000891493240 623744821 /nfs/dbraw/zinc/74/48/21/623744821.db2.gz MKBCTCYKBZHKSP-LBPRGKRZSA-N 2 1 287.367 2.209 20 0 CEADMP C[N@H+](C[C@H]1C[C@]1(C)Br)C[C@H]1CCC[NH+](C)C1 ZINC000891670179 623880205 /nfs/dbraw/zinc/88/02/05/623880205.db2.gz HNJPUZRKTJXSKE-XQQFMLRXSA-N 2 1 289.261 2.434 20 0 CEADMP C[N@@H+](C[C@H]1C[C@]1(C)Br)C[C@H]1CCC[NH+](C)C1 ZINC000891670179 623880216 /nfs/dbraw/zinc/88/02/16/623880216.db2.gz HNJPUZRKTJXSKE-XQQFMLRXSA-N 2 1 289.261 2.434 20 0 CEADMP C[NH+](C[C@H]1C[C@]1(C)Br)C[C@H]1CCC[N@H+](C)C1 ZINC000891670179 623880227 /nfs/dbraw/zinc/88/02/27/623880227.db2.gz HNJPUZRKTJXSKE-XQQFMLRXSA-N 2 1 289.261 2.434 20 0 CEADMP C[NH+](C[C@H]1C[C@]1(C)Br)C[C@H]1CCC[N@@H+](C)C1 ZINC000891670179 623880235 /nfs/dbraw/zinc/88/02/35/623880235.db2.gz HNJPUZRKTJXSKE-XQQFMLRXSA-N 2 1 289.261 2.434 20 0 CEADMP C[NH+](C)CCC1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000891774473 623956774 /nfs/dbraw/zinc/95/67/74/623956774.db2.gz BYKGPEXULNXASZ-UHFFFAOYSA-N 2 1 276.428 2.382 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)cc1C ZINC000933733582 623983153 /nfs/dbraw/zinc/98/31/53/623983153.db2.gz FCPRCBXULTXWMA-DOTOQJQBSA-N 2 1 274.408 2.387 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)cc1C ZINC000933733582 623983155 /nfs/dbraw/zinc/98/31/55/623983155.db2.gz FCPRCBXULTXWMA-DOTOQJQBSA-N 2 1 274.408 2.387 20 0 CEADMP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1C ZINC000933733582 623983160 /nfs/dbraw/zinc/98/31/60/623983160.db2.gz FCPRCBXULTXWMA-DOTOQJQBSA-N 2 1 274.408 2.387 20 0 CEADMP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1C ZINC000933733582 623983164 /nfs/dbraw/zinc/98/31/64/623983164.db2.gz FCPRCBXULTXWMA-DOTOQJQBSA-N 2 1 274.408 2.387 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000891901460 624082227 /nfs/dbraw/zinc/08/22/27/624082227.db2.gz INEKGKDONVMZMO-LSDHHAIUSA-N 2 1 298.475 2.020 20 0 CEADMP Cc1ccc([C@@H](CNc2nc(N)cc(C)[nH+]2)[NH+](C)C)cc1 ZINC000892076201 624299980 /nfs/dbraw/zinc/29/99/80/624299980.db2.gz VPDJJHDYENDSGF-CQSZACIVSA-N 2 1 285.395 2.390 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934701720 624707421 /nfs/dbraw/zinc/70/74/21/624707421.db2.gz TZPRTWNFNIBBBX-INIZCTEOSA-N 2 1 270.380 2.489 20 0 CEADMP CC(C)CNC(=[NH2+])NCCC[N@H+]1CCCC[C@H]1C ZINC000052041126 624739807 /nfs/dbraw/zinc/73/98/07/624739807.db2.gz GGHLMGVXRJBLGJ-CYBMUJFWSA-N 2 1 254.422 2.021 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]C(C)C ZINC001024979375 625936304 /nfs/dbraw/zinc/93/63/04/625936304.db2.gz QEDGZRNEESTNBQ-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CNc1ccc(C)cc1C[NH2+]CCn1cc[nH+]c1C ZINC000902138982 634480972 /nfs/dbraw/zinc/48/09/72/634480972.db2.gz NIDSQCCUOSDVEJ-UHFFFAOYSA-N 2 1 258.369 2.331 20 0 CEADMP CCn1cnc(CNC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000902199663 634521634 /nfs/dbraw/zinc/52/16/34/634521634.db2.gz WTFOTRPFFHSWJD-CQSZACIVSA-N 2 1 264.417 2.113 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[NH+]3CCCC[C@H]13)C2 ZINC000820807396 634533968 /nfs/dbraw/zinc/53/39/68/634533968.db2.gz HNYDOLZOTUXLQQ-MOUFXGFKSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000820807396 634533974 /nfs/dbraw/zinc/53/39/74/634533974.db2.gz HNYDOLZOTUXLQQ-MOUFXGFKSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000820807396 634533980 /nfs/dbraw/zinc/53/39/80/634533980.db2.gz HNYDOLZOTUXLQQ-MOUFXGFKSA-N 2 1 289.467 2.361 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(-n2cnnc2)c1 ZINC000820809430 634535714 /nfs/dbraw/zinc/53/57/14/634535714.db2.gz AOQAJKPGOMGTET-CABCVRRESA-N 2 1 299.422 2.260 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC)C1 ZINC001025056217 627296121 /nfs/dbraw/zinc/29/61/21/627296121.db2.gz DQZXJMGVHMOVDN-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP Clc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000310865342 627311418 /nfs/dbraw/zinc/31/14/18/627311418.db2.gz OUCPATUZKHPQQI-TXEJJXNPSA-N 2 1 265.788 2.166 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902319136 634568241 /nfs/dbraw/zinc/56/82/41/634568241.db2.gz SEBBIUHHPKMDBH-CVEARBPZSA-N 3 1 281.488 2.475 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](CN[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902319136 634568245 /nfs/dbraw/zinc/56/82/45/634568245.db2.gz SEBBIUHHPKMDBH-CVEARBPZSA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902319136 634568249 /nfs/dbraw/zinc/56/82/49/634568249.db2.gz SEBBIUHHPKMDBH-CVEARBPZSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000311254434 627396405 /nfs/dbraw/zinc/39/64/05/627396405.db2.gz VHYWCENDSVKGCX-HOCLYGCPSA-N 2 1 262.397 2.136 20 0 CEADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000311254434 627396410 /nfs/dbraw/zinc/39/64/10/627396410.db2.gz VHYWCENDSVKGCX-HOCLYGCPSA-N 2 1 262.397 2.136 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C[NH+]1CCCC1 ZINC000902316312 634579924 /nfs/dbraw/zinc/57/99/24/634579924.db2.gz QEASLEDXCVUEFJ-CABCVRRESA-N 3 1 267.461 2.086 20 0 CEADMP CC(C)[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000924592814 627662866 /nfs/dbraw/zinc/66/28/66/627662866.db2.gz SGKWDKIRHSLALB-HZPDHXFCSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902335891 634597025 /nfs/dbraw/zinc/59/70/25/634597025.db2.gz CPBQCTQLMDYESQ-CABCVRRESA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1CCCCN1CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902335891 634597029 /nfs/dbraw/zinc/59/70/29/634597029.db2.gz CPBQCTQLMDYESQ-CABCVRRESA-N 2 1 267.461 2.229 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](OC)C2)C1 ZINC000851790410 627719853 /nfs/dbraw/zinc/71/98/53/627719853.db2.gz KIVYRPWQPCYRGB-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H](CN1CCCCC1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902336462 634597685 /nfs/dbraw/zinc/59/76/85/634597685.db2.gz LRFCLXPHBAJPFV-GJZGRUSLSA-N 2 1 267.461 2.229 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007746918 627952561 /nfs/dbraw/zinc/95/25/61/627952561.db2.gz OQVXQAHWPOOTCZ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007746918 627952565 /nfs/dbraw/zinc/95/25/65/627952565.db2.gz OQVXQAHWPOOTCZ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007746918 627952567 /nfs/dbraw/zinc/95/25/67/627952567.db2.gz OQVXQAHWPOOTCZ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1C[C@H](C)N(c2cc(N)[nH+]cc2Cl)C[C@@H]1C ZINC000893049585 627966317 /nfs/dbraw/zinc/96/63/17/627966317.db2.gz CZDTTXIXZIEZPZ-UWVGGRQHSA-N 2 1 268.792 2.236 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384226 634627863 /nfs/dbraw/zinc/62/78/63/634627863.db2.gz OUEVJBPVBDJITE-GJZGRUSLSA-N 2 1 281.488 2.475 20 0 CEADMP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384226 634627866 /nfs/dbraw/zinc/62/78/66/634627866.db2.gz OUEVJBPVBDJITE-GJZGRUSLSA-N 2 1 281.488 2.475 20 0 CEADMP Cc1[nH+]ccc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1Cl ZINC000312063291 628089523 /nfs/dbraw/zinc/08/95/23/628089523.db2.gz JMBFJMXAAOKREN-VXGBXAGGSA-N 2 1 281.787 2.319 20 0 CEADMP C[NH+](C)[C@@H](CN[C@H]1CC[NH2+]C1(C)C)c1ccsc1 ZINC000925527045 628109862 /nfs/dbraw/zinc/10/98/62/628109862.db2.gz OEHJZQMPLHVKPW-STQMWFEESA-N 2 1 267.442 2.081 20 0 CEADMP Fc1ccc(F)c(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000925529364 628123986 /nfs/dbraw/zinc/12/39/86/628123986.db2.gz IQJVGEWOHXFHEQ-LTDJIEQWSA-N 2 1 278.346 2.093 20 0 CEADMP C(N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000925536849 628147074 /nfs/dbraw/zinc/14/70/74/628147074.db2.gz HPIIXCQWEASJME-JCGIZDLHSA-N 2 1 291.483 2.229 20 0 CEADMP C([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000925536849 628147077 /nfs/dbraw/zinc/14/70/77/628147077.db2.gz HPIIXCQWEASJME-JCGIZDLHSA-N 3 1 291.483 2.229 20 0 CEADMP C([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000925536849 628147080 /nfs/dbraw/zinc/14/70/80/628147080.db2.gz HPIIXCQWEASJME-JCGIZDLHSA-N 3 1 291.483 2.229 20 0 CEADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000182793227 628169336 /nfs/dbraw/zinc/16/93/36/628169336.db2.gz BGNPHQFNSIEVTD-OAHLLOKOSA-N 2 1 282.428 2.136 20 0 CEADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1([NH3+])CC1 ZINC000902412799 634631872 /nfs/dbraw/zinc/63/18/72/634631872.db2.gz FIDOCDMIUDEHFZ-ZDUSSCGKSA-N 2 1 278.396 2.106 20 0 CEADMP C(C1CC1)[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925559636 628228283 /nfs/dbraw/zinc/22/82/83/628228283.db2.gz ZDYWSYVGPQXSGY-BZSNNMDCSA-N 2 1 291.483 2.229 20 0 CEADMP C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925576734 628252480 /nfs/dbraw/zinc/25/24/80/628252480.db2.gz YKOJYEMPDVQCSP-FVQBIDKESA-N 2 1 274.408 2.373 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)CC1 ZINC000893318170 628305992 /nfs/dbraw/zinc/30/59/92/628305992.db2.gz RWAGBNPIVCAJPN-KRWDZBQOSA-N 2 1 292.398 2.061 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925620437 628311096 /nfs/dbraw/zinc/31/10/96/628311096.db2.gz GLNQJNSEIPCMKZ-ZFWWWQNUSA-N 3 1 267.461 2.355 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1ccccc1 ZINC000925645757 628345376 /nfs/dbraw/zinc/34/53/76/628345376.db2.gz RCFWZCVHUDWIQV-UGQVUOCMSA-N 2 1 262.397 2.216 20 0 CEADMP CCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001026610599 628373862 /nfs/dbraw/zinc/37/38/62/628373862.db2.gz NMMKIKNKTFJZNC-UYSNPLJNSA-N 2 1 295.471 2.288 20 0 CEADMP COc1c(Cl)cccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000902430684 634652885 /nfs/dbraw/zinc/65/28/85/634652885.db2.gz QAAHQDHMWMDNDJ-VIFPVBQESA-N 2 1 254.761 2.046 20 0 CEADMP C[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000311254432 628464934 /nfs/dbraw/zinc/46/49/34/628464934.db2.gz VHYWCENDSVKGCX-GDBMZVCRSA-N 2 1 262.397 2.136 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000311254432 628464937 /nfs/dbraw/zinc/46/49/37/628464937.db2.gz VHYWCENDSVKGCX-GDBMZVCRSA-N 2 1 262.397 2.136 20 0 CEADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCSC1 ZINC000123898117 628476378 /nfs/dbraw/zinc/47/63/78/628476378.db2.gz LFSWGQPYHZVSKE-AWEZNQCLSA-N 2 1 262.422 2.270 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902443083 634660523 /nfs/dbraw/zinc/66/05/23/634660523.db2.gz CKNFABQWZXGEKO-WFASDCNBSA-N 2 1 262.397 2.214 20 0 CEADMP Cc1cccc2nc(CC[NH2+][C@H]3CC[NH2+]C34CCC4)cn21 ZINC000925705182 628551041 /nfs/dbraw/zinc/55/10/41/628551041.db2.gz ADIXAUFGXLPXLJ-HNNXBMFYSA-N 2 1 284.407 2.059 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc2c1OCO2 ZINC000925713202 628566486 /nfs/dbraw/zinc/56/64/86/628566486.db2.gz WUIPXVXAYHPQFG-GFCCVEGCSA-N 2 1 274.364 2.328 20 0 CEADMP Cc1ccc(C(C)(C)C[NH2+][C@H]2CCC[NH2+][C@H]2C)nc1 ZINC000925717626 628580334 /nfs/dbraw/zinc/58/03/34/628580334.db2.gz CBMNWBLGEIKUGH-KBPBESRZSA-N 2 1 261.413 2.398 20 0 CEADMP c1ccc(C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2CC2)cc1 ZINC000902474603 634666525 /nfs/dbraw/zinc/66/65/25/634666525.db2.gz GDKAXMQTKIUUPL-LTIDMASMSA-N 2 1 256.393 2.490 20 0 CEADMP C[C@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000902477941 634668453 /nfs/dbraw/zinc/66/84/53/634668453.db2.gz VUSLJQBVKHXGCO-IREHDKGXSA-N 2 1 285.435 2.132 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000925729096 628656908 /nfs/dbraw/zinc/65/69/08/628656908.db2.gz IEGMZFBKRGUKQC-CORIIIEPSA-N 2 1 282.815 2.146 20 0 CEADMP CC1(C)C[C@]1(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000925732492 628686109 /nfs/dbraw/zinc/68/61/09/628686109.db2.gz BYIYZDXAQGCMQK-HGTKMLMNSA-N 2 1 266.429 2.169 20 0 CEADMP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC(F)(F)C1 ZINC000925733049 628687932 /nfs/dbraw/zinc/68/79/32/628687932.db2.gz FMRCMKXSGSTTDT-JHJVBQTASA-N 2 1 288.382 2.169 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@H+]1CCC(C)(C)C1 ZINC000902454036 634676041 /nfs/dbraw/zinc/67/60/41/634676041.db2.gz DZTGTFUMHITNEB-RDJZCZTQSA-N 2 1 289.467 2.266 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2nonc2c1 ZINC000902456854 634677695 /nfs/dbraw/zinc/67/76/95/634677695.db2.gz QDOUUICXANJGKQ-BLLLJJGKSA-N 2 1 296.374 2.271 20 0 CEADMP CC1(C)CC[N@@H+](CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000902456221 634677831 /nfs/dbraw/zinc/67/78/31/634677831.db2.gz NSNWJHPICCAJDZ-XHSDSOJGSA-N 2 1 279.472 2.229 20 0 CEADMP CC1(C)CCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000902456221 634677836 /nfs/dbraw/zinc/67/78/36/634677836.db2.gz NSNWJHPICCAJDZ-XHSDSOJGSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cscc1Cl ZINC000925772657 628778455 /nfs/dbraw/zinc/77/84/55/628778455.db2.gz TUZPIQQPJGENJQ-XRNSZHNASA-N 2 1 274.817 2.243 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000094371399 628814939 /nfs/dbraw/zinc/81/49/39/628814939.db2.gz VGFYCTPFBNVJFQ-LSDHHAIUSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@H](Cc1cccs1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925792359 628838977 /nfs/dbraw/zinc/83/89/77/628838977.db2.gz GDJYBVCDHODKPI-ZIAGYGMSSA-N 2 1 294.464 2.427 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000902491437 634689033 /nfs/dbraw/zinc/68/90/33/634689033.db2.gz XVKISGZRKDNCMC-DKIMLUQUSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000902491437 634689035 /nfs/dbraw/zinc/68/90/35/634689035.db2.gz XVKISGZRKDNCMC-DKIMLUQUSA-N 3 1 287.451 2.366 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000893651615 628893856 /nfs/dbraw/zinc/89/38/56/628893856.db2.gz KNROVZDDTRBMQC-SFHVURJKSA-N 2 1 286.419 2.460 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000925835739 628933267 /nfs/dbraw/zinc/93/32/67/628933267.db2.gz UCSBQTVCMFSVDI-FRRDWIJNSA-N 2 1 293.377 2.133 20 0 CEADMP Cc1nc2c(cccc2CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)o1 ZINC000925838012 628935796 /nfs/dbraw/zinc/93/57/96/628935796.db2.gz JIRIRXNURKAXEN-SMDDNHRTSA-N 2 1 273.380 2.409 20 0 CEADMP C[C@@H](NCC(C)(C)[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261540237 628936461 /nfs/dbraw/zinc/93/64/61/628936461.db2.gz DVQQMKOPUROWRW-ZBFHGGJFSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCC(=O)O2)C1 ZINC000821375311 634700729 /nfs/dbraw/zinc/70/07/29/634700729.db2.gz WKZZYJICEFPDDT-PMPSAXMXSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCC(=O)O2)C1 ZINC000821375311 634700732 /nfs/dbraw/zinc/70/07/32/634700732.db2.gz WKZZYJICEFPDDT-PMPSAXMXSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H]2CCC(=O)O2)C1 ZINC000821375311 634700735 /nfs/dbraw/zinc/70/07/35/634700735.db2.gz WKZZYJICEFPDDT-PMPSAXMXSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H]2CCC(=O)O2)C1 ZINC000821375311 634700741 /nfs/dbraw/zinc/70/07/41/634700741.db2.gz WKZZYJICEFPDDT-PMPSAXMXSA-N 2 1 294.439 2.278 20 0 CEADMP C([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[C@@H]1CCCCC[NH2+]1 ZINC000902484528 634701649 /nfs/dbraw/zinc/70/16/49/634701649.db2.gz WCRNJOCUWVJGKE-RFQIPJPRSA-N 2 1 286.510 2.488 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c(OC)c1 ZINC000261701399 629124852 /nfs/dbraw/zinc/12/48/52/629124852.db2.gz IMIATQKQZWCYRI-HNNXBMFYSA-N 2 1 278.396 2.182 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1nccc1-c1ccncc1 ZINC000067095054 629125787 /nfs/dbraw/zinc/12/57/87/629125787.db2.gz FKIVACLPHGKVDA-UHFFFAOYSA-N 2 1 299.422 2.176 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(-n2cnnc2)c1 ZINC000924874504 629147966 /nfs/dbraw/zinc/14/79/66/629147966.db2.gz SMBWMESXORKSKT-CYBMUJFWSA-N 2 1 296.378 2.123 20 0 CEADMP CO[C@]1(C)CCC[N@@H+](CC2CC[NH+](C)CC2)CC1 ZINC000894170276 629187006 /nfs/dbraw/zinc/18/70/06/629187006.db2.gz BAMYLBPIXFHVNR-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC000927770645 629188104 /nfs/dbraw/zinc/18/81/04/629188104.db2.gz AITSFSDIRIBDNA-OAHLLOKOSA-N 2 1 275.396 2.265 20 0 CEADMP COCC[N@@H+](CCCCF)CC1CC[NH+](C)CC1 ZINC000879125360 629340550 /nfs/dbraw/zinc/34/05/50/629340550.db2.gz ABEBTMSXOIDIKP-UHFFFAOYSA-N 2 1 260.397 2.026 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000925009970 629349336 /nfs/dbraw/zinc/34/93/36/629349336.db2.gz JWAXFAYRWDVMQE-CZUORRHYSA-N 2 1 266.429 2.123 20 0 CEADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000902571754 634730266 /nfs/dbraw/zinc/73/02/66/634730266.db2.gz NRQCASDCVLYJTP-GFCCVEGCSA-N 2 1 266.433 2.368 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]CC2(C)CCCC2)CC1 ZINC000894376403 629407459 /nfs/dbraw/zinc/40/74/59/629407459.db2.gz SPMAVGXORVHWCA-UHFFFAOYSA-N 2 1 267.461 2.184 20 0 CEADMP CCC[N@H+](C)Cc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261997201 629418063 /nfs/dbraw/zinc/41/80/63/629418063.db2.gz KXUGDTFFPNHLQB-UHFFFAOYSA-N 2 1 260.341 2.037 20 0 CEADMP CCC[N@@H+](C)Cc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261997201 629418068 /nfs/dbraw/zinc/41/80/68/629418068.db2.gz KXUGDTFFPNHLQB-UHFFFAOYSA-N 2 1 260.341 2.037 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262037007 629492912 /nfs/dbraw/zinc/49/29/12/629492912.db2.gz OQUSJPDTRCTUCQ-UHFFFAOYSA-N 2 1 276.428 2.348 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1nccn1C1CC1)C1CC1 ZINC000894806634 629651782 /nfs/dbraw/zinc/65/17/82/629651782.db2.gz HMKNISVKGRZNLT-UHFFFAOYSA-N 2 1 262.401 2.182 20 0 CEADMP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1(C)CC1 ZINC000796283658 629831607 /nfs/dbraw/zinc/83/16/07/629831607.db2.gz UIKIQNPQQPGXLD-JTQLQIEISA-N 2 1 253.415 2.483 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC000895097737 629892078 /nfs/dbraw/zinc/89/20/78/629892078.db2.gz PKJCZFHFERSSFI-INIZCTEOSA-N 2 1 259.397 2.213 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](OC3CCC3)C2)CC1 ZINC000895210832 630037078 /nfs/dbraw/zinc/03/70/78/630037078.db2.gz GCIPHXNCJKNMPP-INIZCTEOSA-N 2 1 266.429 2.362 20 0 CEADMP C=Cn1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cn1 ZINC000895557934 630248171 /nfs/dbraw/zinc/24/81/71/630248171.db2.gz SXJOUPIBQKOCKI-AWEZNQCLSA-N 2 1 283.379 2.089 20 0 CEADMP C=Cn1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cn1 ZINC000895557934 630248176 /nfs/dbraw/zinc/24/81/76/630248176.db2.gz SXJOUPIBQKOCKI-AWEZNQCLSA-N 2 1 283.379 2.089 20 0 CEADMP Cc1ncc(C[N@@H+](C)CCCC[NH+]2CCCCC2)n1C ZINC000895683853 630305363 /nfs/dbraw/zinc/30/53/63/630305363.db2.gz VQHHWAPMWAWQJZ-UHFFFAOYSA-N 2 1 278.444 2.426 20 0 CEADMP COC1CCC(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CC1 ZINC000895843232 630366379 /nfs/dbraw/zinc/36/63/79/630366379.db2.gz OGAUMJKCPZBCQY-BHDPWAOGSA-N 2 1 266.429 2.218 20 0 CEADMP COC1CCC(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CC1 ZINC000895843232 630366382 /nfs/dbraw/zinc/36/63/82/630366382.db2.gz OGAUMJKCPZBCQY-BHDPWAOGSA-N 2 1 266.429 2.218 20 0 CEADMP COC1CCC(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000895843232 630366388 /nfs/dbraw/zinc/36/63/88/630366388.db2.gz OGAUMJKCPZBCQY-BHDPWAOGSA-N 2 1 266.429 2.218 20 0 CEADMP COC1CCC(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000895843232 630366389 /nfs/dbraw/zinc/36/63/89/630366389.db2.gz OGAUMJKCPZBCQY-BHDPWAOGSA-N 2 1 266.429 2.218 20 0 CEADMP COC1CCC(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CC1 ZINC000895843234 630366765 /nfs/dbraw/zinc/36/67/65/630366765.db2.gz OGAUMJKCPZBCQY-GYTBAZASSA-N 2 1 266.429 2.218 20 0 CEADMP COC1CCC(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CC1 ZINC000895843234 630366769 /nfs/dbraw/zinc/36/67/69/630366769.db2.gz OGAUMJKCPZBCQY-GYTBAZASSA-N 2 1 266.429 2.218 20 0 CEADMP COC1CCC(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000895843234 630366774 /nfs/dbraw/zinc/36/67/74/630366774.db2.gz OGAUMJKCPZBCQY-GYTBAZASSA-N 2 1 266.429 2.218 20 0 CEADMP COC1CCC(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000895843234 630366777 /nfs/dbraw/zinc/36/67/77/630366777.db2.gz OGAUMJKCPZBCQY-GYTBAZASSA-N 2 1 266.429 2.218 20 0 CEADMP c1cc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)n(-c2ccncc2)n1 ZINC000895847266 630374668 /nfs/dbraw/zinc/37/46/68/630374668.db2.gz YSGXXXMFEKQUJE-WMLDXEAASA-N 2 1 298.390 2.268 20 0 CEADMP c1cc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)n(-c2cc[nH+]cc2)n1 ZINC000895847266 630374674 /nfs/dbraw/zinc/37/46/74/630374674.db2.gz YSGXXXMFEKQUJE-WMLDXEAASA-N 2 1 298.390 2.268 20 0 CEADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@@H](C(F)(F)F)O1 ZINC000895939524 630412652 /nfs/dbraw/zinc/41/26/52/630412652.db2.gz ONJLOBBTFWHCFU-AAEUAGOBSA-N 2 1 294.361 2.370 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902779737 634824723 /nfs/dbraw/zinc/82/47/23/634824723.db2.gz ZVRDMUQVGWLOCA-OVYBAWALSA-N 2 1 278.440 2.121 20 0 CEADMP C[C@@H]1CC[C@H](CN)[N@@H+](CCCCCCC[NH3+])[C@@H]1C ZINC000883445793 630611176 /nfs/dbraw/zinc/61/11/76/630611176.db2.gz LHEMXJMUXKGDNS-RBSFLKMASA-N 2 1 255.450 2.343 20 0 CEADMP C[NH+](C)CC[C@@H](NCCC[C@H]1CCO1)c1cccnc1 ZINC000896717645 630648591 /nfs/dbraw/zinc/64/85/91/630648591.db2.gz UNLIMNFELOGMBA-JKSUJKDBSA-N 2 1 277.412 2.233 20 0 CEADMP CCO[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000902804780 634829886 /nfs/dbraw/zinc/82/98/86/634829886.db2.gz VLMPOXAHNCCBSO-GJZGRUSLSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCO3)CC[C@@H]1[NH3+] ZINC000904300100 635553955 /nfs/dbraw/zinc/55/39/55/635553955.db2.gz WAFYLVCRFQWTBJ-WFASDCNBSA-N 2 1 260.381 2.181 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000904299978 635554033 /nfs/dbraw/zinc/55/40/33/635554033.db2.gz SUSCOZXLRBFJQQ-DZGCQCFKSA-N 2 1 290.407 2.341 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000904317368 635564799 /nfs/dbraw/zinc/56/47/99/635564799.db2.gz VJIZDPLZPAQUPD-KGLIPLIRSA-N 2 1 284.444 2.225 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000904317368 635564802 /nfs/dbraw/zinc/56/48/02/635564802.db2.gz VJIZDPLZPAQUPD-KGLIPLIRSA-N 2 1 284.444 2.225 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000904321872 635568251 /nfs/dbraw/zinc/56/82/51/635568251.db2.gz JGJGBHPDYAMNAI-UXLLHSPISA-N 2 1 273.424 2.325 20 0 CEADMP COC(=O)c1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1C ZINC000904334337 635577487 /nfs/dbraw/zinc/57/74/87/635577487.db2.gz SYNVPXORZWTVTH-UHFFFAOYSA-N 2 1 276.380 2.095 20 0 CEADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC000320647247 631108377 /nfs/dbraw/zinc/10/83/77/631108377.db2.gz FYEHRQQKTSKZFO-FUDCBSFHSA-N 2 1 282.428 2.179 20 0 CEADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000800971279 631155669 /nfs/dbraw/zinc/15/56/69/631155669.db2.gz IUDGCXLEKQMYBA-RKTXRCNFSA-N 2 1 278.440 2.408 20 0 CEADMP CSC1CC([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1 ZINC000925204176 631172936 /nfs/dbraw/zinc/17/29/36/631172936.db2.gz DTAYSWGGUFKFKT-UHFFFAOYSA-N 2 1 286.485 2.359 20 0 CEADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCN)[C@H]2CCCC[C@@H]12 ZINC000262961649 631289384 /nfs/dbraw/zinc/28/93/84/631289384.db2.gz KUFLIXFWADRINM-GVRJEKJASA-N 2 1 295.471 2.129 20 0 CEADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[NH3+])[C@H]2CCCC[C@@H]12 ZINC000262961649 631289390 /nfs/dbraw/zinc/28/93/90/631289390.db2.gz KUFLIXFWADRINM-GVRJEKJASA-N 2 1 295.471 2.129 20 0 CEADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCN)[C@H]2CCCC[C@H]12 ZINC000262961650 631289472 /nfs/dbraw/zinc/28/94/72/631289472.db2.gz KUFLIXFWADRINM-RBZJEDDUSA-N 2 1 295.471 2.129 20 0 CEADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[NH3+])[C@H]2CCCC[C@H]12 ZINC000262961650 631289475 /nfs/dbraw/zinc/28/94/75/631289475.db2.gz KUFLIXFWADRINM-RBZJEDDUSA-N 2 1 295.471 2.129 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000897420812 631342411 /nfs/dbraw/zinc/34/24/11/631342411.db2.gz IOEYNTBWJDXFPY-QWHCGFSZSA-N 2 1 297.443 2.116 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCCC[C@H]1CCO ZINC000342071320 631502839 /nfs/dbraw/zinc/50/28/39/631502839.db2.gz XGDVIRATZXUFRU-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCCC[C@H]1CCO ZINC000342071320 631502841 /nfs/dbraw/zinc/50/28/41/631502841.db2.gz XGDVIRATZXUFRU-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCCC[C@H]1CCO ZINC000342071320 631502845 /nfs/dbraw/zinc/50/28/45/631502845.db2.gz XGDVIRATZXUFRU-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP C[C@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(F)cc1 ZINC000904420940 635633272 /nfs/dbraw/zinc/63/32/72/635633272.db2.gz ZBCUMICQCPQGPR-VHDGCEQUSA-N 2 1 262.372 2.471 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000841007325 631652330 /nfs/dbraw/zinc/65/23/30/631652330.db2.gz OZZDSTLKMWLUCE-ZBFHGGJFSA-N 2 1 284.444 2.020 20 0 CEADMP C[C@@H](Cc1cccnc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000897967838 631995074 /nfs/dbraw/zinc/99/50/74/631995074.db2.gz ZHGJZYJAUQXCLW-ZDUSSCGKSA-N 2 1 259.397 2.229 20 0 CEADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000897967641 631995311 /nfs/dbraw/zinc/99/53/11/631995311.db2.gz VQPUBRDAGXCCSI-UKRRQHHQSA-N 2 1 261.413 2.475 20 0 CEADMP CCCCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)(C)C ZINC000808693610 632001910 /nfs/dbraw/zinc/00/19/10/632001910.db2.gz JXCAHQXBCPOKRZ-ZIAGYGMSSA-N 2 1 258.450 2.494 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnc([C@H](C)O)s1)C[NH+]1CCCCC1 ZINC000809607543 632110038 /nfs/dbraw/zinc/11/00/38/632110038.db2.gz CSTDONAUTTXUGO-STQMWFEESA-N 2 1 297.468 2.408 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000809735684 632134254 /nfs/dbraw/zinc/13/42/54/632134254.db2.gz OSVISRHPOFPXHT-INIZCTEOSA-N 2 1 296.455 2.240 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc([C@@H](C)O)s2)C1 ZINC000809735899 632134656 /nfs/dbraw/zinc/13/46/56/632134656.db2.gz XASPTCZEMMQVOV-VXGBXAGGSA-N 2 1 283.441 2.016 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc([C@@H](C)O)s2)C1 ZINC000809735899 632134661 /nfs/dbraw/zinc/13/46/61/632134661.db2.gz XASPTCZEMMQVOV-VXGBXAGGSA-N 2 1 283.441 2.016 20 0 CEADMP CC1(C)Cc2cc(C[NH2+]C[C@@H]([NH3+])C3CC3)ccc2O1 ZINC000841049892 632353174 /nfs/dbraw/zinc/35/31/74/632353174.db2.gz BNEAEJJHYATXTR-CQSZACIVSA-N 2 1 260.381 2.227 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)C1CC1 ZINC000924716226 632458002 /nfs/dbraw/zinc/45/80/02/632458002.db2.gz ITAIPTSIHSTNDK-BZUAXINKSA-N 2 1 266.429 2.121 20 0 CEADMP C(COC1CCSCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000898439766 632492730 /nfs/dbraw/zinc/49/27/30/632492730.db2.gz MEIJPLAAVPNUBQ-KGLIPLIRSA-N 2 1 284.469 2.115 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cnnn1-c1ccccc1 ZINC000813325989 632665622 /nfs/dbraw/zinc/66/56/22/632665622.db2.gz NXPUQLWCTRJDNC-LSDHHAIUSA-N 2 1 299.422 2.260 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cnnn1-c1ccccc1 ZINC000813325989 632665626 /nfs/dbraw/zinc/66/56/26/632665626.db2.gz NXPUQLWCTRJDNC-LSDHHAIUSA-N 2 1 299.422 2.260 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000813335832 632672904 /nfs/dbraw/zinc/67/29/04/632672904.db2.gz ITPAIYKHPCNXBQ-AWEZNQCLSA-N 2 1 284.444 2.239 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000813335832 632672906 /nfs/dbraw/zinc/67/29/06/632672906.db2.gz ITPAIYKHPCNXBQ-AWEZNQCLSA-N 2 1 284.444 2.239 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000813335832 632672909 /nfs/dbraw/zinc/67/29/09/632672909.db2.gz ITPAIYKHPCNXBQ-AWEZNQCLSA-N 2 1 284.444 2.239 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000813335832 632672912 /nfs/dbraw/zinc/67/29/12/632672912.db2.gz ITPAIYKHPCNXBQ-AWEZNQCLSA-N 2 1 284.444 2.239 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnn(C)c1Cl ZINC000815123301 632964023 /nfs/dbraw/zinc/96/40/23/632964023.db2.gz AQEFHCUIXJXADA-JTQLQIEISA-N 2 1 281.791 2.004 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323636954 633480762 /nfs/dbraw/zinc/48/07/62/633480762.db2.gz QTYMFJZCWNEVBG-AEFFLSMTSA-N 2 1 287.451 2.050 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000817892865 633755615 /nfs/dbraw/zinc/75/56/15/633755615.db2.gz QDDPOZWYRQYUDW-PMPSAXMXSA-N 2 1 262.397 2.149 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000817905149 633764977 /nfs/dbraw/zinc/76/49/77/633764977.db2.gz JOWFSYCWDLWLTL-AGIUHOORSA-N 2 1 289.206 2.496 20 0 CEADMP Cc1cccc(OCCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000817906749 633765948 /nfs/dbraw/zinc/76/59/48/633765948.db2.gz FEWMTGYWAKAWLD-GDBMZVCRSA-N 2 1 262.397 2.352 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)c1cccc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000817910012 633768351 /nfs/dbraw/zinc/76/83/51/633768351.db2.gz HHARSJZWERJLGH-OWCLPIDISA-N 2 1 262.397 2.149 20 0 CEADMP C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000817913429 633772414 /nfs/dbraw/zinc/77/24/14/633772414.db2.gz PFPRBIJEVGBCNS-FDYHWXHSSA-N 2 1 268.426 2.290 20 0 CEADMP C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1c[nH+]ccc1N ZINC000817928761 633783743 /nfs/dbraw/zinc/78/37/43/633783743.db2.gz AIPQSQATYXCQIU-UKRRQHHQSA-N 2 1 285.391 2.138 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)c1cc(C)cc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000817929309 633784948 /nfs/dbraw/zinc/78/49/48/633784948.db2.gz GBHRHWRJXQYUJP-IXDOHACOSA-N 2 1 276.424 2.457 20 0 CEADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cnc1Cl ZINC000817933854 633786790 /nfs/dbraw/zinc/78/67/90/633786790.db2.gz VHRLFIJPJNKOES-BXKDBHETSA-N 2 1 271.767 2.481 20 0 CEADMP [NH3+]CCc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000817947889 633793506 /nfs/dbraw/zinc/79/35/06/633793506.db2.gz DWHPKTCUYWPEKD-ZWKOTPCHSA-N 3 1 281.403 2.422 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc2n(n1)CCC2 ZINC000817950768 633796480 /nfs/dbraw/zinc/79/64/80/633796480.db2.gz ZUWLBRQMVWECDM-ZDUSSCGKSA-N 2 1 284.407 2.181 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(N2CCOC2=O)cc1 ZINC000817964616 633806989 /nfs/dbraw/zinc/80/69/89/633806989.db2.gz FYPLNBDSQYMEDD-LBPRGKRZSA-N 2 1 289.379 2.175 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)nc1 ZINC000817971441 633815761 /nfs/dbraw/zinc/81/57/61/633815761.db2.gz NBPIKPNDJIUFMH-NHCYSSNCSA-N 2 1 253.777 2.384 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)c(COC)c1 ZINC000817979741 633823386 /nfs/dbraw/zinc/82/33/86/633823386.db2.gz NTWOEIBJWUKSQK-BXUZGUMPSA-N 2 1 266.385 2.230 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+]2C(C)(C)C)[C@@H](C)C1 ZINC000900825193 633859829 /nfs/dbraw/zinc/85/98/29/633859829.db2.gz SGHBPXFGZQAYDO-SOUVJXGZSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)[C@@H](C)C1 ZINC000900825193 633859833 /nfs/dbraw/zinc/85/98/33/633859833.db2.gz SGHBPXFGZQAYDO-SOUVJXGZSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+]2C(C)(C)C)[C@@H](C)C1 ZINC000900825193 633859836 /nfs/dbraw/zinc/85/98/36/633859836.db2.gz SGHBPXFGZQAYDO-SOUVJXGZSA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+]2C(C)(C)C)[C@@H](C)C1 ZINC000900825190 633859955 /nfs/dbraw/zinc/85/99/55/633859955.db2.gz SGHBPXFGZQAYDO-KKUMJFAQSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)[C@@H](C)C1 ZINC000900825190 633859957 /nfs/dbraw/zinc/85/99/57/633859957.db2.gz SGHBPXFGZQAYDO-KKUMJFAQSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)[C@@H](C)C1 ZINC000900825190 633859960 /nfs/dbraw/zinc/85/99/60/633859960.db2.gz SGHBPXFGZQAYDO-KKUMJFAQSA-N 2 1 295.471 2.048 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000818965294 634020103 /nfs/dbraw/zinc/02/01/03/634020103.db2.gz HBZPQDKZJJCENM-MLGOLLRUSA-N 2 1 291.370 2.290 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000818973132 634023109 /nfs/dbraw/zinc/02/31/09/634023109.db2.gz RWNUYATUUJTORH-GUYCJALGSA-N 2 1 292.398 2.241 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)C1=CC[N@@H+](C)CC1 ZINC000819220919 634108149 /nfs/dbraw/zinc/10/81/49/634108149.db2.gz TYTIDDCAFKGAQH-ZBEGNZNMSA-N 2 1 296.361 2.238 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000819366052 634157384 /nfs/dbraw/zinc/15/73/84/634157384.db2.gz HKMXPKMMGXXRIT-XJKSGUPXSA-N 2 1 280.387 2.181 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903091998 634974200 /nfs/dbraw/zinc/97/42/00/634974200.db2.gz FEOATMRXOJRAAH-BBRMVZONSA-N 2 1 259.397 2.464 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903091998 634974204 /nfs/dbraw/zinc/97/42/04/634974204.db2.gz FEOATMRXOJRAAH-BBRMVZONSA-N 2 1 259.397 2.464 20 0 CEADMP O[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903127247 634982828 /nfs/dbraw/zinc/98/28/28/634982828.db2.gz HKKXAKLTNZYVCS-RCOPVIMASA-N 2 1 264.413 2.037 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCc2ccnn2-c2ccccc2)CC[N@H+]1C ZINC000903169333 635003880 /nfs/dbraw/zinc/00/38/80/635003880.db2.gz HBSIXVQXKXJGCR-HZPDHXFCSA-N 2 1 298.434 2.487 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2cccc(F)c2)[C@@H](C)C1 ZINC000903311719 635060916 /nfs/dbraw/zinc/06/09/16/635060916.db2.gz VWBGDPBMYYKOAW-JQFCIGGWSA-N 2 1 294.414 2.353 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903378495 635092835 /nfs/dbraw/zinc/09/28/35/635092835.db2.gz CWPOYSCGCHBKNU-KBMXLJTQSA-N 2 1 277.412 2.089 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H](CC[NH+](C)C)c2cccnc2)CC[N@H+]1C ZINC000903384123 635094500 /nfs/dbraw/zinc/09/45/00/635094500.db2.gz QFIMLXNJAYOMKF-PVAVHDDUSA-N 2 1 290.455 2.147 20 0 CEADMP C[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000903400036 635109728 /nfs/dbraw/zinc/10/97/28/635109728.db2.gz KUKBFANASNQRLU-YJBOKZPZSA-N 2 1 288.435 2.318 20 0 CEADMP C[N@@H+](CCc1ccccc1F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903432431 635114785 /nfs/dbraw/zinc/11/47/85/635114785.db2.gz BPBQEEHNNDCJBZ-OCCSQVGLSA-N 2 1 250.361 2.427 20 0 CEADMP Cc1nc([C@@H]2CCCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000903433200 635115766 /nfs/dbraw/zinc/11/57/66/635115766.db2.gz UQDQJHSMGGUXLU-AGIUHOORSA-N 2 1 264.373 2.032 20 0 CEADMP Cc1nc([C@@H]2CCCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000903433200 635115768 /nfs/dbraw/zinc/11/57/68/635115768.db2.gz UQDQJHSMGGUXLU-AGIUHOORSA-N 2 1 264.373 2.032 20 0 CEADMP C[C@H](O)C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000903434777 635116069 /nfs/dbraw/zinc/11/60/69/635116069.db2.gz IWVKJKQIVQTAJB-MJBXVCDLSA-N 2 1 254.418 2.129 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903420559 635121912 /nfs/dbraw/zinc/12/19/12/635121912.db2.gz CBAIXLRLWXQEAV-FVCCEPFGSA-N 2 1 258.356 2.209 20 0 CEADMP CC(=O)c1ccc2c(c1)CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC2 ZINC000903457534 635124218 /nfs/dbraw/zinc/12/42/18/635124218.db2.gz WITVTMWPEFBBCD-KDOFPFPSSA-N 2 1 286.419 2.417 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000903460384 635126006 /nfs/dbraw/zinc/12/60/06/635126006.db2.gz ABTQPALYSWRXJC-JKJDWNRSSA-N 2 1 266.429 2.393 20 0 CEADMP COC[C@H](C[N@@H+]1C[C@@H](c2ccccc2F)[C@H](N)C1)C(C)C ZINC000903459839 635126118 /nfs/dbraw/zinc/12/61/18/635126118.db2.gz OPWBANZJCIFGGG-JLJPHGGASA-N 2 1 294.414 2.471 20 0 CEADMP CCN(CC)CC[N@@H+](CC(C)C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903442626 635129441 /nfs/dbraw/zinc/12/94/41/635129441.db2.gz VDCOMWJJZLQQKG-CVEARBPZSA-N 2 1 269.477 2.414 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000903445408 635130632 /nfs/dbraw/zinc/13/06/32/635130632.db2.gz ZSCLTSOITNLVPQ-ARFHVFGLSA-N 3 1 265.445 2.064 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC[C@@H]1[NH3+] ZINC000903450103 635134761 /nfs/dbraw/zinc/13/47/61/635134761.db2.gz MDFJIKCMQSQPME-LBELIVKGSA-N 2 1 258.356 2.337 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCNC[C@@H]2c2ccccc2Cl)C1 ZINC000903452467 635135974 /nfs/dbraw/zinc/13/59/74/635135974.db2.gz MYBPGZAEMGZZQQ-WOSRLPQWSA-N 2 1 293.842 2.414 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCNC[C@@H]2c2ccccc2Cl)C1 ZINC000903452467 635135976 /nfs/dbraw/zinc/13/59/76/635135976.db2.gz MYBPGZAEMGZZQQ-WOSRLPQWSA-N 2 1 293.842 2.414 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCc3c(F)cc(F)cc3C2)C1 ZINC000903457466 635140225 /nfs/dbraw/zinc/14/02/25/635140225.db2.gz UBPPHQGRSAQCIX-GXFFZTMASA-N 2 1 266.335 2.450 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000903457078 635140567 /nfs/dbraw/zinc/14/05/67/635140567.db2.gz MQURMZJXTOGPQR-HLLBOEOZSA-N 2 1 273.424 2.418 20 0 CEADMP C(CC1SCCS1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472257 635142712 /nfs/dbraw/zinc/14/27/12/635142712.db2.gz QFIOHFOYSIGFOS-JTQLQIEISA-N 2 1 258.456 2.057 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC2(CCC2)CO1 ZINC000903471795 635142920 /nfs/dbraw/zinc/14/29/20/635142920.db2.gz MSKHRKZQXLAXGM-KBPBESRZSA-N 2 1 264.413 2.210 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@@H]1CC[C@@H](C2CC2)O1 ZINC000903482035 635149449 /nfs/dbraw/zinc/14/94/49/635149449.db2.gz VAEOEFRXYIRXTL-KKUMJFAQSA-N 2 1 264.413 2.208 20 0 CEADMP CC1(C)CC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)OC1 ZINC000903482243 635150236 /nfs/dbraw/zinc/15/02/36/635150236.db2.gz ZSWGJGNYNDNECT-KGLIPLIRSA-N 2 1 266.429 2.456 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000903482637 635150765 /nfs/dbraw/zinc/15/07/65/635150765.db2.gz NOQBRPIFHQZKJE-FZCLSBEQSA-N 3 1 293.499 2.462 20 0 CEADMP FC(F)C(F)(F)COCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903483961 635150920 /nfs/dbraw/zinc/15/09/20/635150920.db2.gz MZKQZGMSOCUDGY-SNVBAGLBSA-N 2 1 298.324 2.168 20 0 CEADMP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)Nc1ccccc1 ZINC000903483027 635151055 /nfs/dbraw/zinc/15/10/55/635151055.db2.gz BGCZDWDVIWKWSE-OAHLLOKOSA-N 2 1 287.407 2.280 20 0 CEADMP CC[C@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717277 635232580 /nfs/dbraw/zinc/23/25/80/635232580.db2.gz MFYBNDYKYVCMFG-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCCCC1 ZINC000903717122 635232624 /nfs/dbraw/zinc/23/26/24/635232624.db2.gz HDMCZVJCLJRNTH-HUUCEWRRSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903721428 635234904 /nfs/dbraw/zinc/23/49/04/635234904.db2.gz AGENRFIEYJCQRE-OAHLLOKOSA-N 2 1 266.429 2.266 20 0 CEADMP c1ccc(C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903722624 635236396 /nfs/dbraw/zinc/23/63/96/635236396.db2.gz BUOLWZIAPUHEFH-QZTJIDSGSA-N 2 1 286.419 2.420 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)CC1CCCCC1 ZINC000903724616 635237096 /nfs/dbraw/zinc/23/70/96/635237096.db2.gz OFGZYSDYBFLFIN-JKSUJKDBSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H](C1CC1)[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903723865 635237748 /nfs/dbraw/zinc/23/77/48/635237748.db2.gz YWNBJUKESVOLNW-BBRMVZONSA-N 2 1 278.440 2.408 20 0 CEADMP CC[C@H](C)C[N@@H+](CC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903733418 635239442 /nfs/dbraw/zinc/23/94/42/635239442.db2.gz JYCHZZVWLPNTKV-ZNMIVQPWSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903728399 635239869 /nfs/dbraw/zinc/23/98/69/635239869.db2.gz ALEIMFOEHGJXLF-ALYAQQCSSA-N 2 1 278.440 2.408 20 0 CEADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCCC2(CCCC2)C1 ZINC000903751585 635249259 /nfs/dbraw/zinc/24/92/59/635249259.db2.gz GYLYDDUEICNMRP-DOTOQJQBSA-N 2 1 278.440 2.411 20 0 CEADMP C[NH2+]CCC[N@H+](C)CCOc1ccc(F)c(Cl)c1 ZINC000903761254 635255838 /nfs/dbraw/zinc/25/58/38/635255838.db2.gz OASCLVIFKUHDMG-UHFFFAOYSA-N 2 1 274.767 2.399 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCOc1ccc(F)c(Cl)c1 ZINC000903761254 635255840 /nfs/dbraw/zinc/25/58/40/635255840.db2.gz OASCLVIFKUHDMG-UHFFFAOYSA-N 2 1 274.767 2.399 20 0 CEADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000903766430 635258530 /nfs/dbraw/zinc/25/85/30/635258530.db2.gz QIWFNIIVHMTHBU-IXDOHACOSA-N 2 1 278.440 2.267 20 0 CEADMP CC[C@H](C)[N@@H+](CC)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903768886 635259591 /nfs/dbraw/zinc/25/95/91/635259591.db2.gz UMPFPPHKRLLZRY-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cn[nH]c1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792536 635263731 /nfs/dbraw/zinc/26/37/31/635263731.db2.gz DCNAPLSTOJGFJT-UHFFFAOYSA-N 2 1 284.407 2.211 20 0 CEADMP C(C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)OC1CCSCC1 ZINC000903784048 635268509 /nfs/dbraw/zinc/26/85/09/635268509.db2.gz KAHYEJXVGSHZKR-INIZCTEOSA-N 2 1 298.496 2.364 20 0 CEADMP Cc1cc(C[N@@H+](C)C2(C[NH3+])CCOCC2)c2ccccc2n1 ZINC000903808192 635281792 /nfs/dbraw/zinc/28/17/92/635281792.db2.gz CAQHIVKXCJUHKZ-UHFFFAOYSA-N 2 1 299.418 2.483 20 0 CEADMP Cc1cc(C[N@H+](C)C2(C[NH3+])CCOCC2)c2ccccc2n1 ZINC000903808192 635281795 /nfs/dbraw/zinc/28/17/95/635281795.db2.gz CAQHIVKXCJUHKZ-UHFFFAOYSA-N 2 1 299.418 2.483 20 0 CEADMP CC(C)COC[C@@H](O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812103 635285973 /nfs/dbraw/zinc/28/59/73/635285973.db2.gz PQXQKDZCUUPLSR-JKSUJKDBSA-N 2 1 298.471 2.003 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000903832397 635296944 /nfs/dbraw/zinc/29/69/44/635296944.db2.gz QTYFWOCNMVSXRK-HOTGVXAUSA-N 2 1 273.424 2.197 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903872105 635320886 /nfs/dbraw/zinc/32/08/86/635320886.db2.gz DAUAUSVCQLYQLV-GOEBONIOSA-N 2 1 278.444 2.110 20 0 CEADMP OCC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000903873965 635321012 /nfs/dbraw/zinc/32/10/12/635321012.db2.gz PEYSEWQUARXVSH-GOOCMWNKSA-N 2 1 266.429 2.144 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903881300 635324978 /nfs/dbraw/zinc/32/49/78/635324978.db2.gz YDUFAYLKGKGOFG-CQSZACIVSA-N 2 1 291.430 2.413 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](C)CCC[C@H]2C)cnn1C ZINC000903897021 635333644 /nfs/dbraw/zinc/33/36/44/635333644.db2.gz XVAJGGGSLVKUDZ-IIAWOOMASA-N 2 1 292.471 2.356 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H](C)[C@H](C)O1 ZINC000903912192 635345733 /nfs/dbraw/zinc/34/57/33/635345733.db2.gz AWTXTGBLYPXSIZ-RDBSUJKOSA-N 2 1 274.408 2.330 20 0 CEADMP c1ccc([C@H]2CNCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903929483 635355690 /nfs/dbraw/zinc/35/56/90/635355690.db2.gz GPDKEUQKVGDJNW-NXCDMZCRSA-N 2 1 285.435 2.164 20 0 CEADMP c1ccc([C@H]2C[NH2+]CCN2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903929483 635355694 /nfs/dbraw/zinc/35/56/94/635355694.db2.gz GPDKEUQKVGDJNW-NXCDMZCRSA-N 2 1 285.435 2.164 20 0 CEADMP CC(C)C[N@@H+](C[C@@H](N)CC(F)F)CC1CC[NH+](C)CC1 ZINC000903937942 635363102 /nfs/dbraw/zinc/36/31/02/635363102.db2.gz VYCWTJZKDVTFOO-AWEZNQCLSA-N 2 1 291.430 2.269 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]2CCC(C)(C)C2)cnn1C ZINC000903917924 635366955 /nfs/dbraw/zinc/36/69/55/635366955.db2.gz OTLQMUYZPRIFAA-GOEBONIOSA-N 2 1 292.471 2.356 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000903948155 635380517 /nfs/dbraw/zinc/38/05/17/635380517.db2.gz LXNNEZNGMDPIRY-UHFFFAOYSA-N 3 1 279.453 2.097 20 0 CEADMP CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955787 635388828 /nfs/dbraw/zinc/38/88/28/635388828.db2.gz YYABPKRDTOIWFX-ZDUSSCGKSA-N 2 1 284.350 2.420 20 0 CEADMP CCn1c2ccccc2nc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903977558 635394564 /nfs/dbraw/zinc/39/45/64/635394564.db2.gz UBAZUIFGOKZSLC-ZIAGYGMSSA-N 2 1 286.423 2.473 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+]CCSCc1ccccc1 ZINC000903964928 635399361 /nfs/dbraw/zinc/39/93/61/635399361.db2.gz YDIDHGAKFYGAGG-TZMCWYRMSA-N 2 1 250.411 2.117 20 0 CEADMP CC(C)(N)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000903986913 635405909 /nfs/dbraw/zinc/40/59/09/635405909.db2.gz SUDCDLCFGQQUHN-UHFFFAOYSA-N 2 1 253.434 2.110 20 0 CEADMP C[N@@H+](C[C@H](N)CCC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000904316355 635556756 /nfs/dbraw/zinc/55/67/56/635556756.db2.gz MMOHGIDYTNTGLX-OAHLLOKOSA-N 2 1 269.477 2.414 20 0 CEADMP CN(C[C@H]([NH3+])CCC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000904316355 635556760 /nfs/dbraw/zinc/55/67/60/635556760.db2.gz MMOHGIDYTNTGLX-OAHLLOKOSA-N 2 1 269.477 2.414 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)C1 ZINC000904324458 635570720 /nfs/dbraw/zinc/57/07/20/635570720.db2.gz GYOXUPPEOSUOQB-IJEWVQPXSA-N 2 1 259.397 2.300 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904326609 635572218 /nfs/dbraw/zinc/57/22/18/635572218.db2.gz NTZTXWAJDVFNCJ-ZBFHGGJFSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904326609 635572223 /nfs/dbraw/zinc/57/22/23/635572223.db2.gz NTZTXWAJDVFNCJ-ZBFHGGJFSA-N 2 1 276.428 2.119 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000904343835 635581750 /nfs/dbraw/zinc/58/17/50/635581750.db2.gz XWYWRVFSNCSIMT-FGTMMUONSA-N 2 1 287.451 2.320 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@H]2C2CCOCC2)CCC[NH2+]C1 ZINC000904345849 635581882 /nfs/dbraw/zinc/58/18/82/635581882.db2.gz KCAPSODZNNGRPE-HOTGVXAUSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)(C)CC[C@H](N)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000904350278 635584421 /nfs/dbraw/zinc/58/44/21/635584421.db2.gz JXLPAXFSEVVKDR-PMPSAXMXSA-N 2 1 281.488 2.462 20 0 CEADMP CC(C)(C)CC[C@H](N)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000904350278 635584424 /nfs/dbraw/zinc/58/44/24/635584424.db2.gz JXLPAXFSEVVKDR-PMPSAXMXSA-N 2 1 281.488 2.462 20 0 CEADMP COc1ccc([C@H]2CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)cc1F ZINC000904381872 635605427 /nfs/dbraw/zinc/60/54/27/635605427.db2.gz WLYPSYINZXGTDQ-FPMFFAJLSA-N 2 1 278.371 2.361 20 0 CEADMP CCn1nc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c2ccccc21 ZINC000904409410 635615350 /nfs/dbraw/zinc/61/53/50/635615350.db2.gz BIJYMPHDJUIJSX-UONOGXRCSA-N 2 1 286.423 2.473 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1C ZINC000904409760 635615500 /nfs/dbraw/zinc/61/55/00/635615500.db2.gz HRYIALDGIMUROX-ZFWWWQNUSA-N 2 1 290.407 2.198 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904410420 635616319 /nfs/dbraw/zinc/61/63/19/635616319.db2.gz DIJUEYKAAIOUCH-STQMWFEESA-N 2 1 278.396 2.121 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1OC ZINC000904410630 635616468 /nfs/dbraw/zinc/61/64/68/635616468.db2.gz QAVJWDNYCVMHDS-ZDUSSCGKSA-N 2 1 278.396 2.265 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904410217 635616646 /nfs/dbraw/zinc/61/66/46/635616646.db2.gz MOAXCXRAAHQRIT-OAHLLOKOSA-N 2 1 284.407 2.351 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(OC)c1 ZINC000904410068 635617217 /nfs/dbraw/zinc/61/72/17/635617217.db2.gz AARXLXRVXOWCRC-QWHCGFSZSA-N 2 1 278.396 2.121 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(C3CC3)s2)CC[C@H]1C[NH3+] ZINC000904412840 635620046 /nfs/dbraw/zinc/62/00/46/635620046.db2.gz ZZOSPVGBQYMLDF-PWSUYJOCSA-N 2 1 265.426 2.437 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc(C3CC3)s2)CC[C@@H]1C[NH3+] ZINC000904412838 635620345 /nfs/dbraw/zinc/62/03/45/635620345.db2.gz ZZOSPVGBQYMLDF-CMPLNLGQSA-N 2 1 265.426 2.437 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(C)n1 ZINC000904412533 635620378 /nfs/dbraw/zinc/62/03/78/635620378.db2.gz VSPAEFQOYJBKIV-TZMCWYRMSA-N 2 1 277.412 2.124 20 0 CEADMP CC(C)(C)[NH2+]CCC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000825340969 635621224 /nfs/dbraw/zinc/62/12/24/635621224.db2.gz UMEJXWGTHIBGQB-AWEZNQCLSA-N 2 1 295.471 2.288 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)cc1O ZINC000904462751 635635422 /nfs/dbraw/zinc/63/54/22/635635422.db2.gz RVQJWQUUDAMAFG-WBMJQRKESA-N 2 1 292.423 2.310 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000904448542 635640183 /nfs/dbraw/zinc/64/01/83/635640183.db2.gz AXUNCAXIVZPTLX-UHFFFAOYSA-N 2 1 253.349 2.330 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@@H](Cc3nccs3)C2)CCC[NH2+]C1 ZINC000904470441 635646789 /nfs/dbraw/zinc/64/67/89/635646789.db2.gz WZHXEMWOEMETFH-DZGCQCFKSA-N 2 1 279.453 2.397 20 0 CEADMP C[N@H+]1CCCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000904585801 635673288 /nfs/dbraw/zinc/67/32/88/635673288.db2.gz AUNOPOGHPMIIED-UHFFFAOYSA-N 2 1 290.411 2.050 20 0 CEADMP COc1cncc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000825622420 635678414 /nfs/dbraw/zinc/67/84/14/635678414.db2.gz VBIQPPKHNRMJNM-UHFFFAOYSA-N 2 1 275.396 2.150 20 0 CEADMP C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904576686 635679317 /nfs/dbraw/zinc/67/93/17/635679317.db2.gz JUAUGXKSIHFAAP-CQSZACIVSA-N 2 1 290.411 2.096 20 0 CEADMP [NH2+]=C(NC[C@@H]1CCCS1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000905045252 635786502 /nfs/dbraw/zinc/78/65/02/635786502.db2.gz CWMAIXMPKWEKNW-KGLIPLIRSA-N 2 1 296.484 2.013 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000252826489 636395759 /nfs/dbraw/zinc/39/57/59/636395759.db2.gz GTWSGEPFFUEXSX-LSDHHAIUSA-N 2 1 274.408 2.484 20 0 CEADMP COc1ccc(Br)cc1C[NH2+]C1CC([NH3+])C1 ZINC000906508795 636760277 /nfs/dbraw/zinc/76/02/77/636760277.db2.gz ZWQVYAHWLVCXJH-UHFFFAOYSA-N 2 1 285.185 2.037 20 0 CEADMP COc1c(Br)cccc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906518530 636765098 /nfs/dbraw/zinc/76/50/98/636765098.db2.gz ZPIRWVPWQSYWGI-MGCOHNPYSA-N 2 1 285.185 2.037 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCCc2ccccc21 ZINC000906787926 636853105 /nfs/dbraw/zinc/85/31/05/636853105.db2.gz IHPWXEORQSULLS-SJLPKXTDSA-N 2 1 288.435 2.453 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCCc2ccccc21 ZINC000906787926 636853109 /nfs/dbraw/zinc/85/31/09/636853109.db2.gz IHPWXEORQSULLS-SJLPKXTDSA-N 2 1 288.435 2.453 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000906794581 636854998 /nfs/dbraw/zinc/85/49/98/636854998.db2.gz YSHRMXBSLRVKHU-LSDHHAIUSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000906916323 636895471 /nfs/dbraw/zinc/89/54/71/636895471.db2.gz XIUNSNZOAQUTIB-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC1([NH3+])CCCCC1 ZINC000832228237 637523281 /nfs/dbraw/zinc/52/32/81/637523281.db2.gz FALLBRJYGNIZIA-UHFFFAOYSA-N 2 1 283.460 2.276 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000909050942 637587589 /nfs/dbraw/zinc/58/75/89/637587589.db2.gz FOMSPOMBYOJCDV-IAGOWNOFSA-N 2 1 274.408 2.280 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000909050942 637587593 /nfs/dbraw/zinc/58/75/93/637587593.db2.gz FOMSPOMBYOJCDV-IAGOWNOFSA-N 2 1 274.408 2.280 20 0 CEADMP Cc1ccc(C[N@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1C ZINC000832634803 637627160 /nfs/dbraw/zinc/62/71/60/637627160.db2.gz WOWFWJDGUVAHKD-QGZVFWFLSA-N 2 1 276.424 2.192 20 0 CEADMP Cc1ccc(C[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1C ZINC000832634803 637627165 /nfs/dbraw/zinc/62/71/65/637627165.db2.gz WOWFWJDGUVAHKD-QGZVFWFLSA-N 2 1 276.424 2.192 20 0 CEADMP C[N@@H+](CCCC[NH2+]CC1CCC2(CC1)OCCO2)C1CC1 ZINC000835063604 638046420 /nfs/dbraw/zinc/04/64/20/638046420.db2.gz NIHUAOZHNKDJQK-UHFFFAOYSA-N 2 1 296.455 2.384 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]C[C@H](C)Cn1cc[nH+]c1C)OC ZINC000876916554 650485266 /nfs/dbraw/zinc/48/52/66/650485266.db2.gz UUVKGWXFYMJMAL-YDHLFZDLSA-N 2 1 267.417 2.478 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000221810435 639337473 /nfs/dbraw/zinc/33/74/73/639337473.db2.gz CACJCPVVBXIWFS-UHFFFAOYSA-N 2 1 278.444 2.247 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000877026544 639464484 /nfs/dbraw/zinc/46/44/84/639464484.db2.gz BXPWGKJEPYRHBX-VHSXEESVSA-N 2 1 251.201 2.112 20 0 CEADMP Cc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228474976 639636436 /nfs/dbraw/zinc/63/64/36/639636436.db2.gz YMFGUIRUNYETKV-USXIJHARSA-N 2 1 274.408 2.433 20 0 CEADMP FC(F)(F)c1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)[nH]n1 ZINC000841089518 639653723 /nfs/dbraw/zinc/65/37/23/639653723.db2.gz HVALADSDROHBPI-VIFPVBQESA-N 2 1 288.317 2.193 20 0 CEADMP CSC(C)(C)CC[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000877040256 650543249 /nfs/dbraw/zinc/54/32/49/650543249.db2.gz BLQHXFUXUSXHRB-AWEZNQCLSA-N 2 1 288.501 2.345 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000842473550 640072841 /nfs/dbraw/zinc/07/28/41/640072841.db2.gz YYLZCZZIEFFESR-GJZGRUSLSA-N 2 1 254.418 2.397 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@H](C[NH3+])C2)o1 ZINC000843047103 640251065 /nfs/dbraw/zinc/25/10/65/640251065.db2.gz OBAIGFBRXFVEMA-CYBMUJFWSA-N 2 1 288.395 2.159 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@H](C[NH3+])C2)o1 ZINC000843047103 640251069 /nfs/dbraw/zinc/25/10/69/640251069.db2.gz OBAIGFBRXFVEMA-CYBMUJFWSA-N 2 1 288.395 2.159 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000843053491 640256124 /nfs/dbraw/zinc/25/61/24/640256124.db2.gz YYDVKIPGLWTFOM-LBPRGKRZSA-N 2 1 274.364 2.483 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000843053491 640256128 /nfs/dbraw/zinc/25/61/28/640256128.db2.gz YYDVKIPGLWTFOM-LBPRGKRZSA-N 2 1 274.364 2.483 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000843128592 640295128 /nfs/dbraw/zinc/29/51/28/640295128.db2.gz KMFPYQFTHYBASM-NKWVEPMBSA-N 2 1 298.740 2.308 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)Nc1nc(N(C)C)cc[nH+]1 ZINC000152883578 640349109 /nfs/dbraw/zinc/34/91/09/640349109.db2.gz JGGQAJYWFRDJAY-ZDUSSCGKSA-N 2 1 279.432 2.465 20 0 CEADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCCCC[NH3+] ZINC000843344338 640396488 /nfs/dbraw/zinc/39/64/88/640396488.db2.gz WHKXFHSDBBANLL-GOEBONIOSA-N 2 1 263.429 2.054 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000843378104 640411110 /nfs/dbraw/zinc/41/11/10/640411110.db2.gz RJWSIPIBUOOQPH-HNNXBMFYSA-N 2 1 295.471 2.276 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3ccns3)CC[C@H]21 ZINC000929848404 640468703 /nfs/dbraw/zinc/46/87/03/640468703.db2.gz RYFMNFMPFJVMCP-TZMCWYRMSA-N 2 1 265.426 2.102 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccns3)CC[C@H]21 ZINC000929848404 640468707 /nfs/dbraw/zinc/46/87/07/640468707.db2.gz RYFMNFMPFJVMCP-TZMCWYRMSA-N 2 1 265.426 2.102 20 0 CEADMP C[N@@H+](CCCc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000915364048 640551030 /nfs/dbraw/zinc/55/10/30/640551030.db2.gz ONTQZQRSDBSVTC-KRWDZBQOSA-N 2 1 276.424 2.008 20 0 CEADMP C[NH2+]CCC[N@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000844222169 640635801 /nfs/dbraw/zinc/63/58/01/640635801.db2.gz YQWGAPGBPNWJNT-UHFFFAOYSA-N 2 1 261.413 2.117 20 0 CEADMP CC(C)c1cnc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)o1 ZINC000844225544 640637514 /nfs/dbraw/zinc/63/75/14/640637514.db2.gz QJKZDFQIHJEYNL-CJNGLKHVSA-N 2 1 293.411 2.126 20 0 CEADMP Cc1nc([C@H]2CCCC[N@@H+]2CCCCCC[NH3+])no1 ZINC000846218482 641227193 /nfs/dbraw/zinc/22/71/93/641227193.db2.gz PCFWUJVXIRJQAR-CYBMUJFWSA-N 2 1 266.389 2.424 20 0 CEADMP Cc1nc([C@H]2CCCC[N@H+]2CCCCCC[NH3+])no1 ZINC000846218482 641227202 /nfs/dbraw/zinc/22/72/02/641227202.db2.gz PCFWUJVXIRJQAR-CYBMUJFWSA-N 2 1 266.389 2.424 20 0 CEADMP CCO[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1C[NH3+] ZINC000846226119 641234102 /nfs/dbraw/zinc/23/41/02/641234102.db2.gz IFETZHZWBQXQIA-GDBMZVCRSA-N 2 1 284.444 2.021 20 0 CEADMP C[N@H+]1CCC[C@]2(CCN(CC3(Br)CC3)C2)C1 ZINC000846922059 641484311 /nfs/dbraw/zinc/48/43/11/641484311.db2.gz COBNRPWDJIXEQF-LBPRGKRZSA-N 2 1 287.245 2.332 20 0 CEADMP C[N@@H+]1CCC[C@]2(CC[NH+](CC3(Br)CC3)C2)C1 ZINC000846922059 641484315 /nfs/dbraw/zinc/48/43/15/641484315.db2.gz COBNRPWDJIXEQF-LBPRGKRZSA-N 2 1 287.245 2.332 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CC3(Br)CC3)C2)C1 ZINC000846922059 641484320 /nfs/dbraw/zinc/48/43/20/641484320.db2.gz COBNRPWDJIXEQF-LBPRGKRZSA-N 2 1 287.245 2.332 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CC3(Br)CC3)C2)C1 ZINC000846922059 641484324 /nfs/dbraw/zinc/48/43/24/641484324.db2.gz COBNRPWDJIXEQF-LBPRGKRZSA-N 2 1 287.245 2.332 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC3(Br)CC3)C2)C1 ZINC000846922059 641484331 /nfs/dbraw/zinc/48/43/31/641484331.db2.gz COBNRPWDJIXEQF-LBPRGKRZSA-N 2 1 287.245 2.332 20 0 CEADMP CC(C)COC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000181501646 641558862 /nfs/dbraw/zinc/55/88/62/641558862.db2.gz FHKVUBXYWBNNHX-UHFFFAOYSA-N 2 1 284.444 2.239 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC000847087418 641563366 /nfs/dbraw/zinc/56/33/66/641563366.db2.gz BLYOKEIDGVZGTG-IRXDYDNUSA-N 2 1 280.456 2.488 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000847087418 641563375 /nfs/dbraw/zinc/56/33/75/641563375.db2.gz BLYOKEIDGVZGTG-IRXDYDNUSA-N 2 1 280.456 2.488 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])oc1C ZINC000070149869 641637061 /nfs/dbraw/zinc/63/70/61/641637061.db2.gz FYKICJCMUFNFSX-GFCCVEGCSA-N 2 1 280.368 2.078 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])oc1C ZINC000070149869 641637062 /nfs/dbraw/zinc/63/70/62/641637062.db2.gz FYKICJCMUFNFSX-GFCCVEGCSA-N 2 1 280.368 2.078 20 0 CEADMP C[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C[NH+]1CCCCC1 ZINC000925486036 641758764 /nfs/dbraw/zinc/75/87/64/641758764.db2.gz PZAFQGLVVOCYNW-NCOADZHNSA-N 3 1 293.499 2.475 20 0 CEADMP C[NH+](C)Cc1cccc(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000847818004 641787125 /nfs/dbraw/zinc/78/71/25/641787125.db2.gz DALBUXBANMWDGJ-AWEZNQCLSA-N 2 1 290.407 2.247 20 0 CEADMP Cn1c(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cnc1Cl ZINC000848538982 642041563 /nfs/dbraw/zinc/04/15/63/642041563.db2.gz BZBMLQWZWRLUQQ-WDEREUQCSA-N 2 1 270.808 2.036 20 0 CEADMP CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995798908 642075128 /nfs/dbraw/zinc/07/51/28/642075128.db2.gz QGYMCVXZLPDZBT-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996669643 642126382 /nfs/dbraw/zinc/12/63/82/642126382.db2.gz RKRDQMPSHQLOQF-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1ccc(CNC(=[NH2+])NCCC[N@H+](C)C(C)C)cc1 ZINC000848987714 642210538 /nfs/dbraw/zinc/21/05/38/642210538.db2.gz UKOPHACTJJLUCN-UHFFFAOYSA-N 2 1 276.428 2.339 20 0 CEADMP O=c1[nH]c2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2o1 ZINC000921550849 642231018 /nfs/dbraw/zinc/23/10/18/642231018.db2.gz VGXXBJBBQXDQNA-OLZOCXBDSA-N 2 1 287.363 2.250 20 0 CEADMP O=c1[nH]c2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2o1 ZINC000921550849 642231021 /nfs/dbraw/zinc/23/10/21/642231021.db2.gz VGXXBJBBQXDQNA-OLZOCXBDSA-N 2 1 287.363 2.250 20 0 CEADMP C[N@@H+](CCCCNC(=[NH2+])NCCc1cccs1)C1CC1 ZINC000849039578 642250271 /nfs/dbraw/zinc/25/02/71/642250271.db2.gz GPYQNPUIATYRJS-UHFFFAOYSA-N 2 1 294.468 2.279 20 0 CEADMP C[N@@H+](CCCCNC(=[NH2+])NC1CCCCC1)C1CC1 ZINC000849039794 642250802 /nfs/dbraw/zinc/25/08/02/642250802.db2.gz SDHCOOVIOGXECU-UHFFFAOYSA-N 2 1 266.433 2.307 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)CC(F)(F)F ZINC000849042362 642252651 /nfs/dbraw/zinc/25/26/51/642252651.db2.gz KONITNZJNLSFPS-GHMZBOCLSA-N 2 1 294.365 2.173 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C(C)C)CC1 ZINC000997819892 642325296 /nfs/dbraw/zinc/32/52/96/642325296.db2.gz FCWLRRAUXDUXTR-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP COc1cncc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000850117940 642585737 /nfs/dbraw/zinc/58/57/37/642585737.db2.gz BXVOTNOCNIHNJT-GFCCVEGCSA-N 2 1 274.368 2.021 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCn3nccc32)C1 ZINC000850439797 642713788 /nfs/dbraw/zinc/71/37/88/642713788.db2.gz OPPPSUSMCHFAPJ-MCIONIFRSA-N 2 1 262.401 2.180 20 0 CEADMP Cc1nc(C)c(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000685566183 642769041 /nfs/dbraw/zinc/76/90/41/642769041.db2.gz OHAJSSCNHXIMLB-ZWNOBZJWSA-N 2 1 251.374 2.206 20 0 CEADMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@@H]1CC[C@@H]3COCC[C@@H]3C1)CC2 ZINC000922064058 642861344 /nfs/dbraw/zinc/86/13/44/642861344.db2.gz RWAWYFQKYPQYCS-KLHDSHLOSA-N 2 1 289.423 2.240 20 0 CEADMP Cc1nn(C)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1Cl ZINC000922180839 642939501 /nfs/dbraw/zinc/93/95/01/642939501.db2.gz HUGJNAIOASYLLQ-LBPRGKRZSA-N 2 1 284.835 2.203 20 0 CEADMP COc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)c(C)c1 ZINC000922253617 642983993 /nfs/dbraw/zinc/98/39/93/642983993.db2.gz CYWFPPZZZJGBFI-CYBMUJFWSA-N 2 1 250.386 2.433 20 0 CEADMP COC(CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000851926741 643228494 /nfs/dbraw/zinc/22/84/94/643228494.db2.gz WQXLFFDHCYJJAW-ZIAGYGMSSA-N 2 1 284.444 2.238 20 0 CEADMP CCO[C@H](C[NH2+][C@@H](C)Cc1ccccc1C)C[NH+](C)C ZINC000922754968 643246003 /nfs/dbraw/zinc/24/60/03/643246003.db2.gz WFEDWRSUBRZIIR-DOTOQJQBSA-N 2 1 278.440 2.482 20 0 CEADMP CO[C@@H]1CC[C@@H]([N@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000852009135 643264439 /nfs/dbraw/zinc/26/44/39/643264439.db2.gz ZPUJZHITEKQNER-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014719889 643390241 /nfs/dbraw/zinc/39/02/41/643390241.db2.gz AEEDKKLIMNLRLX-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014719889 643390246 /nfs/dbraw/zinc/39/02/46/643390246.db2.gz AEEDKKLIMNLRLX-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014719889 643390250 /nfs/dbraw/zinc/39/02/50/643390250.db2.gz AEEDKKLIMNLRLX-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP COC[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)C ZINC000922946514 643472671 /nfs/dbraw/zinc/47/26/71/643472671.db2.gz JZSQRSAYJLZLSH-GFCCVEGCSA-N 2 1 285.457 2.213 20 0 CEADMP CCCOC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000852753914 643538107 /nfs/dbraw/zinc/53/81/07/643538107.db2.gz KROIIIWBVSOUJV-HIFRSBDPSA-N 2 1 282.428 2.040 20 0 CEADMP C[N@@H+](CCCNC(=O)C=C1CC[NH2+]CC1)C1CCCCC1 ZINC000852859597 643581021 /nfs/dbraw/zinc/58/10/21/643581021.db2.gz XRSLWNWQNOHNLK-UHFFFAOYSA-N 2 1 293.455 2.067 20 0 CEADMP C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C1SCCS1 ZINC000853022752 643624233 /nfs/dbraw/zinc/62/42/33/643624233.db2.gz DTVXFFWADVJHJT-ZDUSSCGKSA-N 2 1 272.483 2.258 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923281657 643638853 /nfs/dbraw/zinc/63/88/53/643638853.db2.gz QUVULAPWDUKRQE-VQIMIIECSA-N 2 1 298.430 2.414 20 0 CEADMP Cc1cccc(OC[C@H](O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000923299021 643643779 /nfs/dbraw/zinc/64/37/79/643643779.db2.gz WHOSEEWOFWURFU-NVXWUHKLSA-N 2 1 294.439 2.040 20 0 CEADMP CC[N@H+](Cc1ccccc1C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303468 643650771 /nfs/dbraw/zinc/65/07/71/643650771.db2.gz NKHRJMCORCPHAS-MRXNPFEDSA-N 2 1 274.408 2.195 20 0 CEADMP CC[C@H]1c2ccsc2CC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923305950 643651616 /nfs/dbraw/zinc/65/16/16/643651616.db2.gz NAXLATBRTXVBLA-JSGCOSHPSA-N 2 1 292.448 2.436 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H]2CCCC[C@H]12 ZINC000923304963 643651960 /nfs/dbraw/zinc/65/19/60/643651960.db2.gz DHGZINPQOZBWQJ-QXSJWSMHSA-N 2 1 278.440 2.266 20 0 CEADMP C[N@H+](C[C@H](O)c1ccc(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329313 643661397 /nfs/dbraw/zinc/66/13/97/643661397.db2.gz RWIJGBLGXFHUOW-GYVWXKFASA-N 2 1 296.361 2.213 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329313 643661400 /nfs/dbraw/zinc/66/14/00/643661400.db2.gz RWIJGBLGXFHUOW-GYVWXKFASA-N 2 1 296.361 2.213 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329502 643661471 /nfs/dbraw/zinc/66/14/71/643661471.db2.gz UXYIZTLGYBEANO-JRACIQGZSA-N 3 1 291.483 2.371 20 0 CEADMP CC(C)[NH2+]C1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923325608 643663531 /nfs/dbraw/zinc/66/35/31/643663531.db2.gz DJDDZYHOBIVZSN-ZXFUBFMLSA-N 2 1 279.472 2.370 20 0 CEADMP CCC[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC000923325855 643663712 /nfs/dbraw/zinc/66/37/12/643663712.db2.gz CKTMGDPUIXSBNB-INIZCTEOSA-N 2 1 298.377 2.462 20 0 CEADMP CC[N@@H+](C[C@@H](O)c1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000923336461 643668343 /nfs/dbraw/zinc/66/83/43/643668343.db2.gz SMGHENHWWATNQU-HZPDHXFCSA-N 2 1 280.387 2.323 20 0 CEADMP CC1(C)C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)Cc2ccccc21 ZINC000923370082 643682956 /nfs/dbraw/zinc/68/29/56/643682956.db2.gz BCZRZHGTEMXJPP-HNNXBMFYSA-N 2 1 286.419 2.158 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923384853 643689481 /nfs/dbraw/zinc/68/94/81/643689481.db2.gz OMDIODXAPHIOIP-ZNMIVQPWSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@]12COC[C@]1(C)C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923391654 643690699 /nfs/dbraw/zinc/69/06/99/643690699.db2.gz OQUMKTKPMJGFMA-OQVBHOJDSA-N 2 1 278.440 2.266 20 0 CEADMP CC[N@H+](Cc1ccc(C)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923388137 643693687 /nfs/dbraw/zinc/69/36/87/643693687.db2.gz AKMNYQKJYSOHOB-INIZCTEOSA-N 2 1 274.408 2.195 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000923409816 643699953 /nfs/dbraw/zinc/69/99/53/643699953.db2.gz GCKYQKFPWACDHN-IRXDYDNUSA-N 2 1 276.424 2.183 20 0 CEADMP C(C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923427820 643707278 /nfs/dbraw/zinc/70/72/78/643707278.db2.gz KGMRYSMKKKEUIO-HQSKLWIPSA-N 3 1 291.483 2.373 20 0 CEADMP c1ccc([C@]23C[C@H]2C[N@H+](CCC[NH2+]C2CC2)C3)cc1 ZINC000923428575 643707472 /nfs/dbraw/zinc/70/74/72/643707472.db2.gz JTCANOAKOGKGMX-DOTOQJQBSA-N 2 1 256.393 2.402 20 0 CEADMP O[C@@H](C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000923429176 643708379 /nfs/dbraw/zinc/70/83/79/643708379.db2.gz XFANHODHDIJMPB-DLBZAZTESA-N 2 1 292.398 2.325 20 0 CEADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1F ZINC000923480029 643731107 /nfs/dbraw/zinc/73/11/07/643731107.db2.gz UFFJOBSIQCQTFU-LLVKDONJSA-N 2 1 254.324 2.444 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000923484712 643733329 /nfs/dbraw/zinc/73/33/29/643733329.db2.gz AXJAZSKYWARSNS-LBPRGKRZSA-N 2 1 295.814 2.339 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923495327 643733948 /nfs/dbraw/zinc/73/39/48/643733948.db2.gz ALPCNJOJTLQIGZ-CHWSQXEVSA-N 2 1 293.386 2.071 20 0 CEADMP C[C@@H]1C[N@@H+](CCN(C)c2ccccc2)CC[C@H]1C[NH3+] ZINC000923496540 643734330 /nfs/dbraw/zinc/73/43/30/643734330.db2.gz AOGSJBIJOXSLCR-CABCVRRESA-N 2 1 261.413 2.040 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)nc1Cl ZINC000923490276 643735081 /nfs/dbraw/zinc/73/50/81/643735081.db2.gz MFRSWAXGBZJWOR-NWDGAFQWSA-N 2 1 267.804 2.460 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cncc(Cl)c2)CC[C@@H]1C[NH3+] ZINC000923490381 643735153 /nfs/dbraw/zinc/73/51/53/643735153.db2.gz NFAIVNYQUKLTDE-CMPLNLGQSA-N 2 1 253.777 2.152 20 0 CEADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923491045 643736346 /nfs/dbraw/zinc/73/63/46/643736346.db2.gz GZBSGTUXJZDSRB-CQSZACIVSA-N 2 1 289.423 2.419 20 0 CEADMP C[C@H]1C[N@@H+](CCc2nc3ccccc3n2C)CC[C@H]1C[NH3+] ZINC000923497364 643739736 /nfs/dbraw/zinc/73/97/36/643739736.db2.gz DWAIJUKPBQNJRE-KBPBESRZSA-N 2 1 286.423 2.033 20 0 CEADMP COc1c(C)cnc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000923502864 643739812 /nfs/dbraw/zinc/73/98/12/643739812.db2.gz ZMSSJRMFGCMTQA-OCCSQVGLSA-N 2 1 277.412 2.124 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923502715 643740031 /nfs/dbraw/zinc/74/00/31/643740031.db2.gz YNOOYYOLWDUZJF-GJZGRUSLSA-N 2 1 262.397 2.291 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923501791 643741633 /nfs/dbraw/zinc/74/16/33/643741633.db2.gz VRCDCQOKHISZSB-HRCADAONSA-N 2 1 297.487 2.234 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923504145 643741677 /nfs/dbraw/zinc/74/16/77/643741677.db2.gz OMOQYVRTWJRPBI-GJZGRUSLSA-N 2 1 292.423 2.381 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2F)CC[C@@H]1C[NH3+] ZINC000923501835 643741710 /nfs/dbraw/zinc/74/17/10/643741710.db2.gz WCRYFRBPJJPCAQ-WDEREUQCSA-N 2 1 254.324 2.382 20 0 CEADMP c1ccc([C@H]2CC[C@H](C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)O2)cc1 ZINC000923515711 643747198 /nfs/dbraw/zinc/74/71/98/643747198.db2.gz KXOKFIQBWIYRIH-BSDSXHPESA-N 2 1 286.419 2.448 20 0 CEADMP Cc1csc(C[C@@H]2CC[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)n1 ZINC000923552392 643758969 /nfs/dbraw/zinc/75/89/69/643758969.db2.gz XOBPRBCEUCSGQY-XBFCOCLRSA-N 2 1 279.453 2.171 20 0 CEADMP Cc1csc(C[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000923551072 643761505 /nfs/dbraw/zinc/76/15/05/643761505.db2.gz JGDMXMVWVUYTGQ-KBPBESRZSA-N 2 1 279.453 2.316 20 0 CEADMP Cc1cc(CO)cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000853411604 643766071 /nfs/dbraw/zinc/76/60/71/643766071.db2.gz OMRYZJILCVBVEA-ZIAGYGMSSA-N 2 1 263.385 2.167 20 0 CEADMP CCCC[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006291510 643805045 /nfs/dbraw/zinc/80/50/45/643805045.db2.gz AAFBDPRRYZEIPK-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4nccnc4c3)CC[C@@H]21 ZINC000877739302 650880725 /nfs/dbraw/zinc/88/07/25/650880725.db2.gz NZWLJCWJHABPHD-PBHICJAKSA-N 2 1 282.391 2.156 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4nccnc4c3)CC[C@@H]21 ZINC000877739302 650880729 /nfs/dbraw/zinc/88/07/29/650880729.db2.gz NZWLJCWJHABPHD-PBHICJAKSA-N 2 1 282.391 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4nccnc4c3)CC[C@@H]21 ZINC000877739302 650880733 /nfs/dbraw/zinc/88/07/33/650880733.db2.gz NZWLJCWJHABPHD-PBHICJAKSA-N 2 1 282.391 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4nccnc4c3)CC[C@@H]21 ZINC000877739302 650880741 /nfs/dbraw/zinc/88/07/41/650880741.db2.gz NZWLJCWJHABPHD-PBHICJAKSA-N 2 1 282.391 2.156 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000838792008 644023745 /nfs/dbraw/zinc/02/37/45/644023745.db2.gz YOJDKWZPQLJGLY-UHFFFAOYSA-N 2 1 284.444 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000838792008 644023751 /nfs/dbraw/zinc/02/37/51/644023751.db2.gz YOJDKWZPQLJGLY-UHFFFAOYSA-N 2 1 284.444 2.382 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000877744354 650890047 /nfs/dbraw/zinc/89/00/47/650890047.db2.gz RXBYJFSNHDVJST-HZPDHXFCSA-N 2 1 272.392 2.148 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000877744354 650890050 /nfs/dbraw/zinc/89/00/50/650890050.db2.gz RXBYJFSNHDVJST-HZPDHXFCSA-N 2 1 272.392 2.148 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000877744354 650890053 /nfs/dbraw/zinc/89/00/53/650890053.db2.gz RXBYJFSNHDVJST-HZPDHXFCSA-N 2 1 272.392 2.148 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000877744354 650890054 /nfs/dbraw/zinc/89/00/54/650890054.db2.gz RXBYJFSNHDVJST-HZPDHXFCSA-N 2 1 272.392 2.148 20 0 CEADMP CCn1ncc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)n1 ZINC000838903445 644062563 /nfs/dbraw/zinc/06/25/63/644062563.db2.gz VIYASIJHRZOAOK-CQSZACIVSA-N 2 1 279.432 2.042 20 0 CEADMP Clc1cccc(CC[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000838938258 644093377 /nfs/dbraw/zinc/09/33/77/644093377.db2.gz AIBSJVSZHREGAQ-JKSUJKDBSA-N 2 1 294.826 2.335 20 0 CEADMP Clc1cccc(CC[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000838938258 644093380 /nfs/dbraw/zinc/09/33/80/644093380.db2.gz AIBSJVSZHREGAQ-JKSUJKDBSA-N 2 1 294.826 2.335 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000854655380 644119150 /nfs/dbraw/zinc/11/91/50/644119150.db2.gz PSTOIUJSJZPPFG-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP C/C=C(/CC)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000788767953 644130792 /nfs/dbraw/zinc/13/07/92/644130792.db2.gz BLCBJDXKRQWFRA-PJVYJYFWSA-N 2 1 295.471 2.217 20 0 CEADMP C/C=C(/C=C\C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC ZINC000855346173 644311885 /nfs/dbraw/zinc/31/18/85/644311885.db2.gz QESJXXYTHCHVOU-HLMYLVRXSA-N 2 1 295.471 2.287 20 0 CEADMP C/C=C(/C=C\C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC ZINC000855346173 644311891 /nfs/dbraw/zinc/31/18/91/644311891.db2.gz QESJXXYTHCHVOU-HLMYLVRXSA-N 2 1 295.471 2.287 20 0 CEADMP CO[C@H](C)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877818230 650919727 /nfs/dbraw/zinc/91/97/27/650919727.db2.gz YXUPBYKWWRMNAI-NXHRZFHOSA-N 2 1 288.435 2.475 20 0 CEADMP CO[C@H](C)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877818230 650919728 /nfs/dbraw/zinc/91/97/28/650919728.db2.gz YXUPBYKWWRMNAI-NXHRZFHOSA-N 2 1 288.435 2.475 20 0 CEADMP CO[C@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877818230 650919731 /nfs/dbraw/zinc/91/97/31/650919731.db2.gz YXUPBYKWWRMNAI-NXHRZFHOSA-N 2 1 288.435 2.475 20 0 CEADMP CO[C@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877818230 650919733 /nfs/dbraw/zinc/91/97/33/650919733.db2.gz YXUPBYKWWRMNAI-NXHRZFHOSA-N 2 1 288.435 2.475 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(Cl)n1 ZINC000857046019 644798971 /nfs/dbraw/zinc/79/89/71/644798971.db2.gz FETLGJIQKSRANE-CYBMUJFWSA-N 2 1 296.846 2.237 20 0 CEADMP C[NH+](C)C1CC[NH+](C[C@H]2CCCC(C)(C)O2)CC1 ZINC000877958713 650957989 /nfs/dbraw/zinc/95/79/89/650957989.db2.gz DQCJAXMTXBMHQX-CQSZACIVSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@H+]1CC[C@@H](NCc2ccnc(-n3ccnc3)c2)CC1(C)C ZINC000858113965 645066219 /nfs/dbraw/zinc/06/62/19/645066219.db2.gz RGWVEDNRNUEGBZ-OAHLLOKOSA-N 2 1 299.422 2.230 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(-n3ccnc3)c2)CC1(C)C ZINC000858113965 645066226 /nfs/dbraw/zinc/06/62/26/645066226.db2.gz RGWVEDNRNUEGBZ-OAHLLOKOSA-N 2 1 299.422 2.230 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(F)c2)[C@H](C)C1 ZINC000858147684 645075136 /nfs/dbraw/zinc/07/51/36/645075136.db2.gz XKWGQRWQLMODMO-YPMHNXCESA-N 2 1 251.349 2.041 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(F)c2)[C@H](C)C1 ZINC000858147684 645075140 /nfs/dbraw/zinc/07/51/40/645075140.db2.gz XKWGQRWQLMODMO-YPMHNXCESA-N 2 1 251.349 2.041 20 0 CEADMP OCc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000858317082 645115491 /nfs/dbraw/zinc/11/54/91/645115491.db2.gz HAHQUQRVIJZIOR-MRXNPFEDSA-N 2 1 283.375 2.260 20 0 CEADMP CC[C@H](C)NC(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215505 645422972 /nfs/dbraw/zinc/42/29/72/645422972.db2.gz IPLMUEQHJPMKOK-AWEZNQCLSA-N 2 1 291.439 2.095 20 0 CEADMP CC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215505 645422975 /nfs/dbraw/zinc/42/29/75/645422975.db2.gz IPLMUEQHJPMKOK-AWEZNQCLSA-N 2 1 291.439 2.095 20 0 CEADMP O=C1O[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC12CC2 ZINC000763685826 645566298 /nfs/dbraw/zinc/56/62/98/645566298.db2.gz HQKKIAXNLDRIHG-HUUCEWRRSA-N 2 1 292.423 2.032 20 0 CEADMP O=C1O[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC12CC2 ZINC000763685826 645566300 /nfs/dbraw/zinc/56/63/00/645566300.db2.gz HQKKIAXNLDRIHG-HUUCEWRRSA-N 2 1 292.423 2.032 20 0 CEADMP CC(C)CC[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878201223 651035256 /nfs/dbraw/zinc/03/52/56/651035256.db2.gz ZNRWSJUUYRKAOU-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1c(F)nccc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000862266837 646387153 /nfs/dbraw/zinc/38/71/53/646387153.db2.gz YKMSMUPHUPPYFK-UHFFFAOYSA-N 2 1 253.365 2.349 20 0 CEADMP Cc1c(F)nccc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000862266837 646387161 /nfs/dbraw/zinc/38/71/61/646387161.db2.gz YKMSMUPHUPPYFK-UHFFFAOYSA-N 2 1 253.365 2.349 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnc(F)c2C)C1 ZINC000862272125 646388684 /nfs/dbraw/zinc/38/86/84/646388684.db2.gz FOOZQZLMKAWIBV-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnc(F)c2C)C1 ZINC000862272125 646388691 /nfs/dbraw/zinc/38/86/91/646388691.db2.gz FOOZQZLMKAWIBV-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP C[N@H+]1CCCC[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000862791729 646570571 /nfs/dbraw/zinc/57/05/71/646570571.db2.gz GYKMTFMDOPLXOQ-MRXNPFEDSA-N 2 1 295.471 2.101 20 0 CEADMP CCOc1cccc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000863541569 646750796 /nfs/dbraw/zinc/75/07/96/646750796.db2.gz OOFZNGHTAAYZKV-CYBMUJFWSA-N 2 1 278.396 2.244 20 0 CEADMP C[C@@H](CNC(=[NH2+])NCCC1CC1)[N@H+]1CCCC[C@H]1C ZINC000864454249 647010269 /nfs/dbraw/zinc/01/02/69/647010269.db2.gz VFVJEISKJYFAGK-OLZOCXBDSA-N 2 1 266.433 2.163 20 0 CEADMP CC(C)OC1CC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000779165749 647293958 /nfs/dbraw/zinc/29/39/58/647293958.db2.gz FVZKGPKULHMXSA-CGZBRXJRSA-N 2 1 296.455 2.175 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000779406176 647319813 /nfs/dbraw/zinc/31/98/13/647319813.db2.gz UYFVCMBGNRYYJM-IPYPFGDCSA-N 2 1 282.453 2.492 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000779406176 647319816 /nfs/dbraw/zinc/31/98/16/647319816.db2.gz UYFVCMBGNRYYJM-IPYPFGDCSA-N 2 1 282.453 2.492 20 0 CEADMP C([NH2+][C@@H](C1CCC1)[C@H]1CCCO1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000866229434 647682581 /nfs/dbraw/zinc/68/25/81/647682581.db2.gz PQWOMCHEQMUTPB-XKQJLSEDSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000783241317 647699623 /nfs/dbraw/zinc/69/96/23/647699623.db2.gz UWGQIPOYPVLICA-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP CCOCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000783470497 647719225 /nfs/dbraw/zinc/71/92/25/647719225.db2.gz IZXPQGNICGMQDW-INIZCTEOSA-N 2 1 292.423 2.443 20 0 CEADMP CCOCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000783470497 647719229 /nfs/dbraw/zinc/71/92/29/647719229.db2.gz IZXPQGNICGMQDW-INIZCTEOSA-N 2 1 292.423 2.443 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2c3ccccc3CN2C)[C@@H](C)C1 ZINC000866561338 647825076 /nfs/dbraw/zinc/82/50/76/647825076.db2.gz CEQHKHLFKZQYDJ-WBAXXEDZSA-N 2 1 287.451 2.493 20 0 CEADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000866665556 647861765 /nfs/dbraw/zinc/86/17/65/647861765.db2.gz XWYZYLPLOUCCTO-DOTOQJQBSA-N 2 1 289.423 2.383 20 0 CEADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000866665556 647861768 /nfs/dbraw/zinc/86/17/68/647861768.db2.gz XWYZYLPLOUCCTO-DOTOQJQBSA-N 2 1 289.423 2.383 20 0 CEADMP CC1(C)CC[C@@H](C[NH+]2CCC3(CC[NH2+]3)CC2)OC1 ZINC000866667567 647862396 /nfs/dbraw/zinc/86/23/96/647862396.db2.gz QCJNDRXWVPPDAD-ZDUSSCGKSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000866706301 647877190 /nfs/dbraw/zinc/87/71/90/647877190.db2.gz HHCGHTSMXFXQRC-DZGCQCFKSA-N 2 1 254.418 2.252 20 0 CEADMP CCCCOC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121634166 647907475 /nfs/dbraw/zinc/90/74/75/647907475.db2.gz CZIUNTNNAXEKPR-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000785427217 647928088 /nfs/dbraw/zinc/92/80/88/647928088.db2.gz NSSBZFATMNJHBW-UONOGXRCSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000785427217 647928089 /nfs/dbraw/zinc/92/80/89/647928089.db2.gz NSSBZFATMNJHBW-UONOGXRCSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000785477533 647931421 /nfs/dbraw/zinc/93/14/21/647931421.db2.gz RJOMKIRCQUFYKX-ZWNOBZJWSA-N 2 1 251.349 2.101 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000785477533 647931424 /nfs/dbraw/zinc/93/14/24/647931424.db2.gz RJOMKIRCQUFYKX-ZWNOBZJWSA-N 2 1 251.349 2.101 20 0 CEADMP CC[NH+](CC)CCOC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000786884596 648052992 /nfs/dbraw/zinc/05/29/92/648052992.db2.gz XELHMAPLTOMHAG-OAHLLOKOSA-N 2 1 282.428 2.278 20 0 CEADMP CC(C)(C[NH2+]Cc1ccc(F)nc1)C[NH+]1CCCC1 ZINC000791011392 648472298 /nfs/dbraw/zinc/47/22/98/648472298.db2.gz RUHKMOOOMBKBJT-UHFFFAOYSA-N 2 1 265.376 2.432 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)n(C)n1 ZINC000793520390 648768615 /nfs/dbraw/zinc/76/86/15/648768615.db2.gz GIMRGCONRHKANG-OCCSQVGLSA-N 2 1 264.417 2.111 20 0 CEADMP CCCOC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123217831 648848806 /nfs/dbraw/zinc/84/88/06/648848806.db2.gz NCTWLQDTXFLJLT-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870876645 648940734 /nfs/dbraw/zinc/94/07/34/648940734.db2.gz HUPKCCNSZURVKA-XHSDSOJGSA-N 2 1 295.471 2.275 20 0 CEADMP CC(C)(C)[C@H]([NH3+])c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871792343 649188574 /nfs/dbraw/zinc/18/85/74/649188574.db2.gz WLAGKNLHKOQRII-HUAZRZQGSA-N 2 1 264.373 2.114 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871794938 649188966 /nfs/dbraw/zinc/18/89/66/649188966.db2.gz HRCNONDKTSNXAV-LSPKCERGSA-N 2 1 290.411 2.440 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871794938 649188973 /nfs/dbraw/zinc/18/89/73/649188973.db2.gz HRCNONDKTSNXAV-LSPKCERGSA-N 2 1 290.411 2.440 20 0 CEADMP C[C@H]1CC[NH2+][C@@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C1 ZINC000871796764 649189678 /nfs/dbraw/zinc/18/96/78/649189678.db2.gz KSEWWBVZWJZCKC-OFIBSPLFSA-N 2 1 276.384 2.128 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1(C)C ZINC000872108513 649280443 /nfs/dbraw/zinc/28/04/43/649280443.db2.gz VAZMRDWSKMPRFT-QPSCCSFWSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000872128431 649286811 /nfs/dbraw/zinc/28/68/11/649286811.db2.gz PYUGDEBXHSVPTK-ZQDZILKHSA-N 2 1 294.439 2.323 20 0 CEADMP C([C@@H]1CC2(CCC2)CO1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000872142773 649292132 /nfs/dbraw/zinc/29/21/32/649292132.db2.gz CPBKPUWNPHKVST-PMPSAXMXSA-N 2 1 278.440 2.410 20 0 CEADMP CC1(C)CO[C@@H](C[N@@H+]2CC3CCC2(C[NH3+])CC3)C1 ZINC000872144998 649295534 /nfs/dbraw/zinc/29/55/34/649295534.db2.gz MFGVMXOEAVJTIB-JVWICGRDSA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CO[C@@H](C[N@H+]2CC3CCC2(C[NH3+])CC3)C1 ZINC000872144998 649295537 /nfs/dbraw/zinc/29/55/37/649295537.db2.gz MFGVMXOEAVJTIB-JVWICGRDSA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CO[C@H](C[N@@H+]2CC3CCC2(C[NH3+])CC3)C1 ZINC000872144999 649295813 /nfs/dbraw/zinc/29/58/13/649295813.db2.gz MFGVMXOEAVJTIB-OWYJLGKBSA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CC3CCC2(C[NH3+])CC3)C1 ZINC000872144999 649295814 /nfs/dbraw/zinc/29/58/14/649295814.db2.gz MFGVMXOEAVJTIB-OWYJLGKBSA-N 2 1 252.402 2.005 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)CO2)C[C@H]1C(F)(F)F ZINC000872148824 649297488 /nfs/dbraw/zinc/29/74/88/649297488.db2.gz IBJWJMSMVHGWRH-GRYCIOLGSA-N 2 1 292.345 2.015 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC3(CCC3)CO2)C[C@H]1C(F)(F)F ZINC000872148824 649297492 /nfs/dbraw/zinc/29/74/92/649297492.db2.gz IBJWJMSMVHGWRH-GRYCIOLGSA-N 2 1 292.345 2.015 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000872150710 649297636 /nfs/dbraw/zinc/29/76/36/649297636.db2.gz ZZWWCIWAGLYXDW-JHJVBQTASA-N 2 1 294.361 2.261 20 0 CEADMP C[C@@H](C(=O)NCc1cccs1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155804 649299379 /nfs/dbraw/zinc/29/93/79/649299379.db2.gz ZOHNBGPTXFRIAW-ZDUSSCGKSA-N 2 1 297.468 2.204 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872286300 649345483 /nfs/dbraw/zinc/34/54/83/649345483.db2.gz ZCPORKRQBPQGBF-OAGGEKHMSA-N 2 1 295.471 2.084 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(Cc2cc3c(s2)CC[NH2+]C3)C[C@@H]1C ZINC000873208442 649590282 /nfs/dbraw/zinc/59/02/82/649590282.db2.gz NPCXNGTVOVVMPM-QWHCGFSZSA-N 2 1 293.480 2.308 20 0 CEADMP CCN1C[C@@H](C)[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H]1C ZINC000873208442 649590284 /nfs/dbraw/zinc/59/02/84/649590284.db2.gz NPCXNGTVOVVMPM-QWHCGFSZSA-N 2 1 293.480 2.308 20 0 CEADMP CCN1C[C@@H](C)[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H]1C ZINC000873208442 649590287 /nfs/dbraw/zinc/59/02/87/649590287.db2.gz NPCXNGTVOVVMPM-QWHCGFSZSA-N 2 1 293.480 2.308 20 0 CEADMP COCCC1([NH2+]Cc2sccc2OC)CC[NH2+]CC1 ZINC000873225172 649598531 /nfs/dbraw/zinc/59/85/31/649598531.db2.gz SAESACCEUFHFMV-UHFFFAOYSA-N 2 1 284.425 2.005 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000873228579 649599568 /nfs/dbraw/zinc/59/95/68/649599568.db2.gz GSRZUVIUSLUMDE-OZRQEOMLSA-N 2 1 260.356 2.380 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000873228579 649599572 /nfs/dbraw/zinc/59/95/72/649599572.db2.gz GSRZUVIUSLUMDE-OZRQEOMLSA-N 2 1 260.356 2.380 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ncc[nH]1 ZINC000873233930 649603208 /nfs/dbraw/zinc/60/32/08/649603208.db2.gz BPMCYJMTWPZWFA-GXTWGEPZSA-N 2 1 258.369 2.020 20 0 CEADMP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1c[nH+]ccc1N ZINC000873249134 649608732 /nfs/dbraw/zinc/60/87/32/649608732.db2.gz KXQCUGUOBVMFBR-VEAWUBTESA-N 3 1 276.428 2.408 20 0 CEADMP C[C@@H]([NH2+]C1([C@H]2CCCCO2)CCC1)[C@H]1CCC[NH2+]1 ZINC000873276344 649621589 /nfs/dbraw/zinc/62/15/89/649621589.db2.gz SMDYHLBQOZJAFQ-MGPQQGTHSA-N 2 1 252.402 2.208 20 0 CEADMP c1c[nH+]c(N2CC[NH+](CC3CC4(CCC4)C3)CC2)[nH]1 ZINC000878518581 651118950 /nfs/dbraw/zinc/11/89/50/651118950.db2.gz WIBAYGKXMHNMJI-UHFFFAOYSA-N 2 1 260.385 2.112 20 0 CEADMP CCCCOC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878864728 651200184 /nfs/dbraw/zinc/20/01/84/651200184.db2.gz MVNLCHMJKUTPFA-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP COCC[N@@H+](CCCSC)CC1CC[NH+](C)CC1 ZINC000879124816 651246852 /nfs/dbraw/zinc/24/68/52/651246852.db2.gz FAKLBOVEXMGPNC-UHFFFAOYSA-N 2 1 274.474 2.030 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250074 651270061 /nfs/dbraw/zinc/27/00/61/651270061.db2.gz LSFHTRRKABXOBA-UHFFFAOYSA-N 3 1 290.455 2.389 20 0 CEADMP CCCOC(=O)[C@@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248259 651270180 /nfs/dbraw/zinc/27/01/80/651270180.db2.gz PKGGXENFCAIQRJ-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC(F)(F)C3)CC[C@H]21 ZINC000879580072 651326699 /nfs/dbraw/zinc/32/66/99/651326699.db2.gz FCAMMDVMCGIQKA-YNEHKIRRSA-N 2 1 258.356 2.448 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC(F)(F)C3)CC[C@H]21 ZINC000879580072 651326700 /nfs/dbraw/zinc/32/67/00/651326700.db2.gz FCAMMDVMCGIQKA-YNEHKIRRSA-N 2 1 258.356 2.448 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)CC[C@H]21 ZINC000879580072 651326701 /nfs/dbraw/zinc/32/67/01/651326701.db2.gz FCAMMDVMCGIQKA-YNEHKIRRSA-N 2 1 258.356 2.448 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)CC[C@H]21 ZINC000879580072 651326702 /nfs/dbraw/zinc/32/67/02/651326702.db2.gz FCAMMDVMCGIQKA-YNEHKIRRSA-N 2 1 258.356 2.448 20 0 CEADMP CCC1([NH+]2CCCCC2)CC[NH+](CCOCCOC)CC1 ZINC000880255400 651410872 /nfs/dbraw/zinc/41/08/72/651410872.db2.gz KCWURJLWTXKQDI-UHFFFAOYSA-N 2 1 298.471 2.380 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)CCN1c1cc[nH+]cc1 ZINC000880258637 651411223 /nfs/dbraw/zinc/41/12/23/651411223.db2.gz BOLYKXHNAVSHRV-OAHLLOKOSA-N 2 1 297.402 2.285 20 0 CEADMP CCO[C@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C1CC1 ZINC000880259143 651411530 /nfs/dbraw/zinc/41/15/30/651411530.db2.gz NHALJQGGKNRACP-WMLDXEAASA-N 2 1 289.423 2.407 20 0 CEADMP Cc1cnccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259643 651411730 /nfs/dbraw/zinc/41/17/30/651411730.db2.gz XWIIUGIHUTYEGX-HNNXBMFYSA-N 2 1 282.391 2.496 20 0 CEADMP COc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cn1 ZINC000880262745 651412489 /nfs/dbraw/zinc/41/24/89/651412489.db2.gz SYFBQJKZBWAKAU-CQSZACIVSA-N 2 1 298.390 2.196 20 0 CEADMP COc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cn1 ZINC000880262745 651412490 /nfs/dbraw/zinc/41/24/90/651412490.db2.gz SYFBQJKZBWAKAU-CQSZACIVSA-N 2 1 298.390 2.196 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2CCCOC2)CCN1c1cc[nH+]cc1 ZINC000880263665 651412658 /nfs/dbraw/zinc/41/26/58/651412658.db2.gz ZRWLSSQIABKMKX-LSDHHAIUSA-N 2 1 275.396 2.019 20 0 CEADMP COCCCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880263496 651412694 /nfs/dbraw/zinc/41/26/94/651412694.db2.gz YLPPZFBDONQDMD-OAHLLOKOSA-N 2 1 277.412 2.409 20 0 CEADMP CC[N@H+](CCn1cc[nH+]c1C)[C@H](CO)c1ccccc1 ZINC000880461830 651445269 /nfs/dbraw/zinc/44/52/69/651445269.db2.gz JXZFCJUQFNTSMW-MRXNPFEDSA-N 2 1 273.380 2.247 20 0 CEADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@H](CO)c1ccccc1 ZINC000880461830 651445272 /nfs/dbraw/zinc/44/52/72/651445272.db2.gz JXZFCJUQFNTSMW-MRXNPFEDSA-N 2 1 273.380 2.247 20 0 CEADMP C[C@H](C[NH2+]Cc1ccc2oc(=O)oc2c1)C[NH+]1CCCC1 ZINC000882903572 652262633 /nfs/dbraw/zinc/26/26/33/652262633.db2.gz FQPSKPARVFIJNR-GFCCVEGCSA-N 2 1 290.363 2.208 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000883145035 652378120 /nfs/dbraw/zinc/37/81/20/652378120.db2.gz KKUQYRCFVQLVFK-GFCCVEGCSA-N 2 1 290.363 2.208 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000883153327 652380967 /nfs/dbraw/zinc/38/09/67/652380967.db2.gz ZTLPEILOIJZVCT-QDMKHBRRSA-N 2 1 266.429 2.002 20 0 CEADMP COC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCCOC1 ZINC000883167264 652385778 /nfs/dbraw/zinc/38/57/78/652385778.db2.gz UGBNPIZNRFESQA-BBWFWOEESA-N 2 1 298.471 2.282 20 0 CEADMP COC[C@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000883169715 652387930 /nfs/dbraw/zinc/38/79/30/652387930.db2.gz AYNQSHMJXMPZEM-YESZJQIVSA-N 2 1 298.471 2.138 20 0 CEADMP CO[C@@H](C[N@H+]1CC[NH2+]CCC12CCC2)C1CCCC1 ZINC000883460269 652477447 /nfs/dbraw/zinc/47/74/47/652477447.db2.gz SRFCASVMBGQFLT-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000884394515 652832528 /nfs/dbraw/zinc/83/25/28/652832528.db2.gz HPOXDQGULUEEPP-KGLIPLIRSA-N 2 1 297.487 2.233 20 0 CEADMP COCC[N@H+](C)CCC[NH2+]C/C=C\c1cccc(F)c1 ZINC000885923186 653069588 /nfs/dbraw/zinc/06/95/88/653069588.db2.gz SLDCIOOXWPPTKV-DAXSKMNVSA-N 2 1 280.387 2.397 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C/C=C\c1cccc(F)c1 ZINC000885923186 653069591 /nfs/dbraw/zinc/06/95/91/653069591.db2.gz SLDCIOOXWPPTKV-DAXSKMNVSA-N 2 1 280.387 2.397 20 0 CEADMP C[NH+](C)[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995810 805601540 /nfs/dbraw/zinc/60/15/40/805601540.db2.gz QNPSENVLHFKHOV-SOABOVLPSA-N 2 1 291.483 2.418 20 0 CEADMP CCN(C1C[NH+](C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168004777 805652528 /nfs/dbraw/zinc/65/25/28/805652528.db2.gz YVXQTCGFKMTGBY-XYPWUTKMSA-N 2 1 277.456 2.028 20 0 CEADMP CCN(C1C[NH+](C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168004777 805652534 /nfs/dbraw/zinc/65/25/34/805652534.db2.gz YVXQTCGFKMTGBY-XYPWUTKMSA-N 2 1 277.456 2.028 20 0 CEADMP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C)[NH+](C)C ZINC001029358105 805695183 /nfs/dbraw/zinc/69/51/83/805695183.db2.gz IIJHREHKXDKCFO-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2c(F)cccc2C1 ZINC001171411096 814924424 /nfs/dbraw/zinc/92/44/24/814924424.db2.gz DMMGPGMJKRAPLB-DGCLKSJQSA-N 2 1 250.361 2.210 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)OC1 ZINC000715013923 814924592 /nfs/dbraw/zinc/92/45/92/814924592.db2.gz FDYRNMNZTHMETJ-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)C[NH2+]CCC(C)(C)C ZINC001271035124 805722514 /nfs/dbraw/zinc/72/25/14/805722514.db2.gz HQUMLJDYIXZUJJ-ZDUSSCGKSA-N 2 1 294.443 2.064 20 0 CEADMP CC(C)=CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168029939 805821750 /nfs/dbraw/zinc/82/17/50/805821750.db2.gz KSHOUMFQCOFEQR-CVEARBPZSA-N 2 1 293.455 2.065 20 0 CEADMP CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001271567612 805993874 /nfs/dbraw/zinc/99/38/74/805993874.db2.gz ZFOHPBVNCDCLDB-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)C(C)C)C1 ZINC001029751383 806062510 /nfs/dbraw/zinc/06/25/10/806062510.db2.gz SXJVDWPDKGVPNQ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)C(C)C)C1 ZINC001029751383 806062520 /nfs/dbraw/zinc/06/25/20/806062520.db2.gz SXJVDWPDKGVPNQ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC001029751383 806062530 /nfs/dbraw/zinc/06/25/30/806062530.db2.gz SXJVDWPDKGVPNQ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)=CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001271904282 806136919 /nfs/dbraw/zinc/13/69/19/806136919.db2.gz ZLOGWCVTTHBMBB-HOTGVXAUSA-N 2 1 295.471 2.025 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001088493185 806314160 /nfs/dbraw/zinc/31/41/60/806314160.db2.gz CFXAXCGKVNROMR-KBMXLJTQSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088493185 806314170 /nfs/dbraw/zinc/31/41/70/806314170.db2.gz CFXAXCGKVNROMR-KBMXLJTQSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001088493185 806314180 /nfs/dbraw/zinc/31/41/80/806314180.db2.gz CFXAXCGKVNROMR-KBMXLJTQSA-N 2 1 295.471 2.096 20 0 CEADMP COc1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3CC[NH+](C)C[C@H]3C1)C2 ZINC001168266237 806487781 /nfs/dbraw/zinc/48/77/81/806487781.db2.gz CLWRVFNVMADUMI-HYVNUMGLSA-N 2 1 286.419 2.046 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH+]1C[C@H]3CC[N@H+](C)C[C@H]3C1)C2 ZINC001168266237 806487785 /nfs/dbraw/zinc/48/77/85/806487785.db2.gz CLWRVFNVMADUMI-HYVNUMGLSA-N 2 1 286.419 2.046 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH+]1C[C@H]3CC[N@@H+](C)C[C@H]3C1)C2 ZINC001168266237 806487791 /nfs/dbraw/zinc/48/77/91/806487791.db2.gz CLWRVFNVMADUMI-HYVNUMGLSA-N 2 1 286.419 2.046 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCc3cc(CO)ccc3C2)CC1 ZINC001168315565 806648814 /nfs/dbraw/zinc/64/88/14/806648814.db2.gz ZDVXQVUDVGBORW-UHFFFAOYSA-N 2 1 288.435 2.410 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@](C)(CO)CC2)CC1 ZINC001168315505 806649070 /nfs/dbraw/zinc/64/90/70/806649070.db2.gz WZFCTFWLZWDXEU-GPANFISMSA-N 2 1 268.445 2.344 20 0 CEADMP CO[C@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168324038 806654447 /nfs/dbraw/zinc/65/44/47/806654447.db2.gz HFBSQCINLSTMMU-NRXISQOPSA-N 2 1 254.418 2.360 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCC([NH+](C)C)CC3)C[C@@H]2C1 ZINC001168329590 806657945 /nfs/dbraw/zinc/65/79/45/806657945.db2.gz YHVLWWPDSWRQBJ-RYTJFDOTSA-N 3 1 279.472 2.133 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](C3CCC([NH+](C)C)CC3)C[C@@H]2C1 ZINC001168329590 806657950 /nfs/dbraw/zinc/65/79/50/806657950.db2.gz YHVLWWPDSWRQBJ-RYTJFDOTSA-N 3 1 279.472 2.133 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](C3CCC([NH+](C)C)CC3)C[C@@H]2C1 ZINC001168329590 806657952 /nfs/dbraw/zinc/65/79/52/806657952.db2.gz YHVLWWPDSWRQBJ-RYTJFDOTSA-N 3 1 279.472 2.133 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@]23CCOC3)CC1 ZINC001168328204 806658505 /nfs/dbraw/zinc/65/85/05/806658505.db2.gz ZLDITWKSSRZSFS-YMAMQOFZSA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)[C@@H]2CCC3(C2)OCCO3)CC1 ZINC001168329162 806658930 /nfs/dbraw/zinc/65/89/30/806658930.db2.gz NWFPAFJNQAVPDH-YMAMQOFZSA-N 2 1 282.428 2.087 20 0 CEADMP CCN(CC)c1ncc(C[NH2+]CC[C@H](C)[NH+](C)C)s1 ZINC000697920583 806759792 /nfs/dbraw/zinc/75/97/92/806759792.db2.gz ONDPPONLAIWWME-LBPRGKRZSA-N 2 1 284.473 2.419 20 0 CEADMP C[C@H]1C[N@H+](C2CC[NH+](CC3CC3)CC2)CCC[C@]1(C)O ZINC001168371421 806952742 /nfs/dbraw/zinc/95/27/42/806952742.db2.gz FXAVHDNISSTVFE-YOEHRIQHSA-N 2 1 280.456 2.344 20 0 CEADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC001209421026 802518562 /nfs/dbraw/zinc/51/85/62/802518562.db2.gz HNHUFFKLBXFEMC-DZKIICNBSA-N 2 1 266.429 2.218 20 0 CEADMP CC[N@H+](CC=C(C)C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001266396567 802522406 /nfs/dbraw/zinc/52/24/06/802522406.db2.gz JNTOIIOTHHZLGQ-INIZCTEOSA-N 2 1 295.471 2.265 20 0 CEADMP CC[NH+](CC=C(C)C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266396567 802522408 /nfs/dbraw/zinc/52/24/08/802522408.db2.gz JNTOIIOTHHZLGQ-INIZCTEOSA-N 2 1 295.471 2.265 20 0 CEADMP CC[NH+](CC=C(C)C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001266396567 802522413 /nfs/dbraw/zinc/52/24/13/802522413.db2.gz JNTOIIOTHHZLGQ-INIZCTEOSA-N 2 1 295.471 2.265 20 0 CEADMP CC[N@H+]1CCN(CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001209453371 802533954 /nfs/dbraw/zinc/53/39/54/802533954.db2.gz GIGZLFJKEGYRAK-UHFFFAOYSA-N 2 1 267.461 2.279 20 0 CEADMP CCCCC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266488647 802627612 /nfs/dbraw/zinc/62/76/12/802627612.db2.gz MVLHBOKAEHPZKI-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266488647 802627618 /nfs/dbraw/zinc/62/76/18/802627618.db2.gz MVLHBOKAEHPZKI-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266488647 802627622 /nfs/dbraw/zinc/62/76/22/802627622.db2.gz MVLHBOKAEHPZKI-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001266489993 802628942 /nfs/dbraw/zinc/62/89/42/802628942.db2.gz XTUHHEMCUQTJJK-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP CN(C)Cc1c(F)cc(N[C@H]2CC[N@@H+](C)C2)cc1F ZINC001167281305 802631122 /nfs/dbraw/zinc/63/11/22/802631122.db2.gz SKMVXEAOQRLBMB-JTQLQIEISA-N 2 1 269.339 2.142 20 0 CEADMP c1cc2c(c(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)c1)OCC2 ZINC000693111059 802653889 /nfs/dbraw/zinc/65/38/89/802653889.db2.gz DRHPAOAWNJECIU-ZDUSSCGKSA-N 2 1 272.392 2.195 20 0 CEADMP c1cc2c(c(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)c1)OCC2 ZINC000693111059 802653892 /nfs/dbraw/zinc/65/38/92/802653892.db2.gz DRHPAOAWNJECIU-ZDUSSCGKSA-N 2 1 272.392 2.195 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000693128813 802659005 /nfs/dbraw/zinc/65/90/05/802659005.db2.gz ZOXDBGITUGPENC-CYBMUJFWSA-N 2 1 260.381 2.053 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000693128813 802659008 /nfs/dbraw/zinc/65/90/08/802659008.db2.gz ZOXDBGITUGPENC-CYBMUJFWSA-N 2 1 260.381 2.053 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000721451929 802796903 /nfs/dbraw/zinc/79/69/03/802796903.db2.gz YOMXRCCESQMSLP-IJLUTSLNSA-N 2 1 282.350 2.402 20 0 CEADMP CN(CC[NH2+]CCC(C)(C)C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001266730724 802869363 /nfs/dbraw/zinc/86/93/63/802869363.db2.gz DASXXYIPWVCPFH-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266807617 802912562 /nfs/dbraw/zinc/91/25/62/802912562.db2.gz OTTBGAKJCZWSQS-OAHLLOKOSA-N 2 1 297.487 2.203 20 0 CEADMP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001266859484 802950022 /nfs/dbraw/zinc/95/00/22/802950022.db2.gz KZIFDZFXEBIYSL-MRXNPFEDSA-N 2 1 293.455 2.019 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1CC[NH3+] ZINC000723894515 802965689 /nfs/dbraw/zinc/96/56/89/802965689.db2.gz MBQLEOUZDOBSFD-GHMZBOCLSA-N 2 1 253.777 2.152 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)CO2)C[C@H]1CC[NH3+] ZINC000723895185 802965798 /nfs/dbraw/zinc/96/57/98/802965798.db2.gz SCMQISYNIZPURG-MCIONIFRSA-N 2 1 254.418 2.108 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ncccc2Cl)C[C@H]1CC[NH3+] ZINC000723901933 802966535 /nfs/dbraw/zinc/96/65/35/802966535.db2.gz UATSETPHBAWRMX-GHMZBOCLSA-N 2 1 253.777 2.152 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCN(C(C)(C)C)CC2)CC1 ZINC000891843349 802989615 /nfs/dbraw/zinc/98/96/15/802989615.db2.gz ZRRZHUQFTUKVQD-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP C[NH+]1CCC(CN2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000891843349 802989619 /nfs/dbraw/zinc/98/96/19/802989619.db2.gz ZRRZHUQFTUKVQD-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP C[NH+]1CCC(CN2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000891843349 802989622 /nfs/dbraw/zinc/98/96/22/802989622.db2.gz ZRRZHUQFTUKVQD-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCCOC1 ZINC000724012803 803002750 /nfs/dbraw/zinc/00/27/50/803002750.db2.gz QADVHZXDEBTQOD-QKPAOTATSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCCOC1 ZINC000724012803 803002755 /nfs/dbraw/zinc/00/27/55/803002755.db2.gz QADVHZXDEBTQOD-QKPAOTATSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCOC1 ZINC000724013405 803003087 /nfs/dbraw/zinc/00/30/87/803003087.db2.gz QJEYZLBVIVKUCM-FZKCQIBNSA-N 2 1 266.429 2.408 20 0 CEADMP FC(F)(F)[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)O1 ZINC000721489682 803037271 /nfs/dbraw/zinc/03/72/71/803037271.db2.gz DHYAMSJTVCXMNM-XQHKEYJVSA-N 2 1 292.345 2.313 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000690737447 803115268 /nfs/dbraw/zinc/11/52/68/803115268.db2.gz FEDXNZVLQAOAQG-NSHDSACASA-N 2 1 261.394 2.467 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001207285416 803131832 /nfs/dbraw/zinc/13/18/32/803131832.db2.gz JVJGFNXGZZWONP-HNNXBMFYSA-N 2 1 261.413 2.459 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000690740627 803161335 /nfs/dbraw/zinc/16/13/35/803161335.db2.gz MURUCZMKJDYVPJ-CYBMUJFWSA-N 2 1 250.411 2.449 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC2SCCS2)CC[N@H+]1C ZINC000693779721 803277387 /nfs/dbraw/zinc/27/73/87/803277387.db2.gz MCHMKADGMLHZBY-MNOVXSKESA-N 2 1 260.472 2.255 20 0 CEADMP C([NH2+][C@@H]1CCCC12CCC2)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000394812585 803642256 /nfs/dbraw/zinc/64/22/56/803642256.db2.gz PFSBEYTURAWZET-QLFBSQMISA-N 2 1 264.413 2.162 20 0 CEADMP C([NH2+][C@@H]1CCCC12CCC2)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000394812585 803642257 /nfs/dbraw/zinc/64/22/57/803642257.db2.gz PFSBEYTURAWZET-QLFBSQMISA-N 2 1 264.413 2.162 20 0 CEADMP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001267791679 803736232 /nfs/dbraw/zinc/73/62/32/803736232.db2.gz QFLRSKNJNFPJBQ-MRXNPFEDSA-N 2 1 295.471 2.217 20 0 CEADMP CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001267831197 803761673 /nfs/dbraw/zinc/76/16/73/803761673.db2.gz MXRTUIOEBPJUNJ-CABCVRRESA-N 2 1 283.460 2.145 20 0 CEADMP C[NH+]1CCC(CC[N@@H+]2CCO[C@@H](c3ccccn3)C2)CC1 ZINC001207486031 803802553 /nfs/dbraw/zinc/80/25/53/803802553.db2.gz BOPABGQJEHSZSQ-QGZVFWFLSA-N 2 1 289.423 2.187 20 0 CEADMP C[NH+]1CCC(CC[N@H+]2CCO[C@@H](c3ccccn3)C2)CC1 ZINC001207486031 803802563 /nfs/dbraw/zinc/80/25/63/803802563.db2.gz BOPABGQJEHSZSQ-QGZVFWFLSA-N 2 1 289.423 2.187 20 0 CEADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H](COCC3CC3)C2)CC1 ZINC001207486645 803804346 /nfs/dbraw/zinc/80/43/46/803804346.db2.gz LVJIMCOLRYJJGU-QGZVFWFLSA-N 2 1 280.456 2.467 20 0 CEADMP C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCC1CC[NH+](C)CC1 ZINC001207487840 803813891 /nfs/dbraw/zinc/81/38/91/803813891.db2.gz UQEYDGNSKOWQQW-ZDUSSCGKSA-N 2 1 284.444 2.380 20 0 CEADMP C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207487840 803813898 /nfs/dbraw/zinc/81/38/98/803813898.db2.gz UQEYDGNSKOWQQW-ZDUSSCGKSA-N 2 1 284.444 2.380 20 0 CEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC001117953450 814969212 /nfs/dbraw/zinc/96/92/12/814969212.db2.gz HHUNOYZDEBFICX-ZDUSSCGKSA-N 2 1 290.386 2.158 20 0 CEADMP C([C@@H]1CC[C@@H](C2CC2)O1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000715540397 814973533 /nfs/dbraw/zinc/97/35/33/814973533.db2.gz VBIWDSWRWJZIJM-QZWWFDLISA-N 2 1 278.440 2.408 20 0 CEADMP CC(C)[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027103875 803956998 /nfs/dbraw/zinc/95/69/98/803956998.db2.gz HNRWVFDKDXDKGF-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP C(C[C@@H]1CCCS1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000715641852 814983906 /nfs/dbraw/zinc/98/39/06/814983906.db2.gz GUAUDMDIZPYPNW-MCIONIFRSA-N 2 1 254.443 2.489 20 0 CEADMP CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001027878937 804313733 /nfs/dbraw/zinc/31/37/33/804313733.db2.gz KHANUJNDYJVZMN-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001027878937 804313743 /nfs/dbraw/zinc/31/37/43/804313743.db2.gz KHANUJNDYJVZMN-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001027878937 804313753 /nfs/dbraw/zinc/31/37/53/804313753.db2.gz KHANUJNDYJVZMN-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC(C)C)CC1 ZINC001167815106 804360808 /nfs/dbraw/zinc/36/08/08/804360808.db2.gz OVBTZKWXQLAEBA-UHFFFAOYSA-N 2 1 297.487 2.250 20 0 CEADMP CC(C)=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001027970903 804371634 /nfs/dbraw/zinc/37/16/34/804371634.db2.gz VHXGBCCDPREONL-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001027970903 804371642 /nfs/dbraw/zinc/37/16/42/804371642.db2.gz VHXGBCCDPREONL-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001027970903 804371649 /nfs/dbraw/zinc/37/16/49/804371649.db2.gz VHXGBCCDPREONL-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001027970903 804371658 /nfs/dbraw/zinc/37/16/58/804371658.db2.gz VHXGBCCDPREONL-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccns1 ZINC000716017584 815014060 /nfs/dbraw/zinc/01/40/60/815014060.db2.gz BUWZPKUZBYAELR-TUAOUCFPSA-N 2 1 251.399 2.421 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001167833438 804409970 /nfs/dbraw/zinc/40/99/70/804409970.db2.gz BEWNUUULJZQEEQ-HOCLYGCPSA-N 2 1 297.443 2.071 20 0 CEADMP FC(F)(F)[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)O1 ZINC000722400232 804425414 /nfs/dbraw/zinc/42/54/14/804425414.db2.gz DFKSEUBPCNTHDX-STQMWFEESA-N 2 1 292.345 2.313 20 0 CEADMP CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167835620 804428426 /nfs/dbraw/zinc/42/84/26/804428426.db2.gz RZEJRPBAMGZSKD-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](C(=O)OC)C1 ZINC001167837208 804431895 /nfs/dbraw/zinc/43/18/95/804431895.db2.gz JGBWSAAURZLUMW-GJZGRUSLSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCOC2(CC2)C1 ZINC001167839909 804435950 /nfs/dbraw/zinc/43/59/50/804435950.db2.gz CRFWOPGKWKSLFG-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP CCCCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001268222359 804553037 /nfs/dbraw/zinc/55/30/37/804553037.db2.gz YLKWGTNTMDZAFM-CVEARBPZSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000300072912 804617360 /nfs/dbraw/zinc/61/73/60/804617360.db2.gz XPIRBQITTMJVKU-CFVMTHIKSA-N 2 1 254.418 2.129 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H](O)CC1CCCC1 ZINC000300072912 804617365 /nfs/dbraw/zinc/61/73/65/804617365.db2.gz XPIRBQITTMJVKU-CFVMTHIKSA-N 2 1 254.418 2.129 20 0 CEADMP CCCC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001284153007 804806340 /nfs/dbraw/zinc/80/63/40/804806340.db2.gz JIXXXWORVIUFJC-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000165087903 807037492 /nfs/dbraw/zinc/03/74/92/807037492.db2.gz YGIPOTAXQUYQKR-TZMCWYRMSA-N 2 1 255.365 2.404 20 0 CEADMP CN(CCC[NH2+]CC1CCCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC001268797678 804975153 /nfs/dbraw/zinc/97/51/53/804975153.db2.gz WSTPYCURVAYXRO-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001269039223 805031150 /nfs/dbraw/zinc/03/11/50/805031150.db2.gz RTSJGVQEMUYDIK-CGFBPQRUSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001269039223 805031162 /nfs/dbraw/zinc/03/11/62/805031162.db2.gz RTSJGVQEMUYDIK-CGFBPQRUSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001269039223 805031172 /nfs/dbraw/zinc/03/11/72/805031172.db2.gz RTSJGVQEMUYDIK-CGFBPQRUSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001269039223 805031179 /nfs/dbraw/zinc/03/11/79/805031179.db2.gz RTSJGVQEMUYDIK-CGFBPQRUSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[N@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001269739989 805242320 /nfs/dbraw/zinc/24/23/20/805242320.db2.gz AYLGLWCTSQLMTH-QGZVFWFLSA-N 2 1 295.471 2.053 20 0 CEADMP C(C[NH+]1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958102 805287157 /nfs/dbraw/zinc/28/71/57/805287157.db2.gz BVYIESQSRDEZNM-AYHJJNSGSA-N 2 1 291.483 2.467 20 0 CEADMP C(CN1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167958102 805287165 /nfs/dbraw/zinc/28/71/65/805287165.db2.gz BVYIESQSRDEZNM-AYHJJNSGSA-N 2 1 291.483 2.467 20 0 CEADMP C(CN1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958102 805287173 /nfs/dbraw/zinc/28/71/73/805287173.db2.gz BVYIESQSRDEZNM-AYHJJNSGSA-N 2 1 291.483 2.467 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168396708 807075970 /nfs/dbraw/zinc/07/59/70/807075970.db2.gz HVBHRRKESJLPMQ-INIZCTEOSA-N 2 1 262.372 2.367 20 0 CEADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110157293 815105157 /nfs/dbraw/zinc/10/51/57/815105157.db2.gz NQLWMBCYTRSLST-WCVJEAGWSA-N 2 1 295.471 2.094 20 0 CEADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110157293 815105162 /nfs/dbraw/zinc/10/51/62/815105162.db2.gz NQLWMBCYTRSLST-WCVJEAGWSA-N 2 1 295.471 2.094 20 0 CEADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110157293 815105166 /nfs/dbraw/zinc/10/51/66/815105166.db2.gz NQLWMBCYTRSLST-WCVJEAGWSA-N 2 1 295.471 2.094 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)CO2)CC[C@@H]1[NH3+] ZINC000716276519 815108452 /nfs/dbraw/zinc/10/84/52/815108452.db2.gz COMRSLDCQYGOLI-RDBSUJKOSA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H]1CCC2(CCC2)CO1 ZINC000716321622 815114388 /nfs/dbraw/zinc/11/43/88/815114388.db2.gz ZQRVPPZUFLFYQD-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H]1CCC2(CCC2)CO1 ZINC000716321622 815114392 /nfs/dbraw/zinc/11/43/92/815114392.db2.gz ZQRVPPZUFLFYQD-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP CCC[C@@H](C)C[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001272429456 807480545 /nfs/dbraw/zinc/48/05/45/807480545.db2.gz FMWWSKIGSZKTAN-NVXWUHKLSA-N 2 1 295.471 2.051 20 0 CEADMP COc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc(OC)c1OC ZINC001205094892 807583774 /nfs/dbraw/zinc/58/37/74/807583774.db2.gz RITPVKWMQYYAGL-ZDUSSCGKSA-N 2 1 294.395 2.026 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc(OC)c1OC ZINC001205094892 807583778 /nfs/dbraw/zinc/58/37/78/807583778.db2.gz RITPVKWMQYYAGL-ZDUSSCGKSA-N 2 1 294.395 2.026 20 0 CEADMP C[C@@H](O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716621603 815137318 /nfs/dbraw/zinc/13/73/18/815137318.db2.gz RQBTYHYEYCVIMI-SPUZQDLCSA-N 2 1 288.435 2.400 20 0 CEADMP Cc1ccc2n[nH]c(C[N@@H+]3CCC[C@H]([NH3+])CC3)c2c1 ZINC001205109716 807671953 /nfs/dbraw/zinc/67/19/53/807671953.db2.gz JWNWCTIVFXLPPN-LBPRGKRZSA-N 2 1 258.369 2.185 20 0 CEADMP Cc1ccc2n[nH]c(CN3CCC[C@H]([NH3+])CC3)c2c1 ZINC001205109716 807671968 /nfs/dbraw/zinc/67/19/68/807671968.db2.gz JWNWCTIVFXLPPN-LBPRGKRZSA-N 2 1 258.369 2.185 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000715266074 807857105 /nfs/dbraw/zinc/85/71/05/807857105.db2.gz XTNXSIGWVSJLBJ-YDZMOUMUSA-N 2 1 279.472 2.464 20 0 CEADMP CN1[C@@H]2CCC[C@H]1CC([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC000715266074 807857114 /nfs/dbraw/zinc/85/71/14/807857114.db2.gz XTNXSIGWVSJLBJ-YDZMOUMUSA-N 2 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000715266074 807857122 /nfs/dbraw/zinc/85/71/22/807857122.db2.gz XTNXSIGWVSJLBJ-YDZMOUMUSA-N 3 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000715266074 807857130 /nfs/dbraw/zinc/85/71/30/807857130.db2.gz XTNXSIGWVSJLBJ-YDZMOUMUSA-N 3 1 279.472 2.464 20 0 CEADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089419169 807963448 /nfs/dbraw/zinc/96/34/48/807963448.db2.gz DBKNHAGLSZITNV-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCCC2CCCC2)CC[N@H+]1C ZINC001127689944 808200062 /nfs/dbraw/zinc/20/00/62/808200062.db2.gz CUVIJIXGJPKVLG-GDBMZVCRSA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@]2(C)Br)C1 ZINC001120025590 815189713 /nfs/dbraw/zinc/18/97/13/815189713.db2.gz FIHZYFLAVZBCJC-UPJWGTAASA-N 2 1 289.261 2.481 20 0 CEADMP [NH3+]CC1([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171530388 815192637 /nfs/dbraw/zinc/19/26/37/815192637.db2.gz QDDSKKGDSLATBN-VIFPVBQESA-N 2 1 270.298 2.042 20 0 CEADMP Cc1cccc2c1CC[C@@H](n1c[nH+]cc1CC[NH3+])C2 ZINC001171548729 815193386 /nfs/dbraw/zinc/19/33/86/815193386.db2.gz GNOLORZOTVIRFR-CQSZACIVSA-N 2 1 255.365 2.423 20 0 CEADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cnc1F ZINC001238453875 808375450 /nfs/dbraw/zinc/37/54/50/808375450.db2.gz NABGZFZMQQNDMV-UHFFFAOYSA-N 2 1 281.375 2.003 20 0 CEADMP C[NH+]1C(C)(C)CC([NH2+]C[C@@H](O)c2ccccn2)CC1(C)C ZINC001171623137 815206486 /nfs/dbraw/zinc/20/64/86/815206486.db2.gz LRMOPLIWTCIPFO-OAHLLOKOSA-N 2 1 291.439 2.356 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@](C)(O)C2)CC1(C)C ZINC001171639820 815214232 /nfs/dbraw/zinc/21/42/32/815214232.db2.gz VHZDRTPZXHJEAC-INIZCTEOSA-N 2 1 268.445 2.485 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@@H+](CCCc2ccccc2Cl)CC1 ZINC001205209391 808554273 /nfs/dbraw/zinc/55/42/73/808554273.db2.gz IZPUKRKSZGGLNH-MRXNPFEDSA-N 2 1 296.842 2.448 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC1CC(C)(C)C1 ZINC001171731916 815219846 /nfs/dbraw/zinc/21/98/46/815219846.db2.gz QHAMGSJQLGNVFS-UHFFFAOYSA-N 2 1 297.487 2.250 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CC)C1 ZINC001120438503 815223491 /nfs/dbraw/zinc/22/34/91/815223491.db2.gz AVRIXOUODHGTDK-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC)C1 ZINC001120438503 815223496 /nfs/dbraw/zinc/22/34/96/815223496.db2.gz AVRIXOUODHGTDK-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC)C1 ZINC001120438503 815223499 /nfs/dbraw/zinc/22/34/99/815223499.db2.gz AVRIXOUODHGTDK-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]1C[C@H](N2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171746615 815223521 /nfs/dbraw/zinc/22/35/21/815223521.db2.gz QBCJJJHSNPOKJA-LPHOPBHVSA-N 2 1 299.462 2.429 20 0 CEADMP C[C@H]1C[C@H](N2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171746615 815223526 /nfs/dbraw/zinc/22/35/26/815223526.db2.gz QBCJJJHSNPOKJA-LPHOPBHVSA-N 2 1 299.462 2.429 20 0 CEADMP COc1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@H]([NH3+])C3)CCO2)cc1 ZINC001168585588 808677369 /nfs/dbraw/zinc/67/73/69/808677369.db2.gz HXQJZZYSJRBPRJ-UXLLHSPISA-N 2 1 290.407 2.338 20 0 CEADMP COc1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@H]([NH3+])C3)CCO2)cc1 ZINC001168585588 808677374 /nfs/dbraw/zinc/67/73/74/808677374.db2.gz HXQJZZYSJRBPRJ-UXLLHSPISA-N 2 1 290.407 2.338 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001171763319 815227682 /nfs/dbraw/zinc/22/76/82/815227682.db2.gz YXLUKPIEGSLEHU-UHFFFAOYSA-N 2 1 295.471 2.315 20 0 CEADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001171767235 815228822 /nfs/dbraw/zinc/22/88/22/815228822.db2.gz LZBCBESIIJDVEI-BVBHFADKSA-N 2 1 299.462 2.428 20 0 CEADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171767235 815228825 /nfs/dbraw/zinc/22/88/25/815228825.db2.gz LZBCBESIIJDVEI-BVBHFADKSA-N 2 1 299.462 2.428 20 0 CEADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171767235 815228828 /nfs/dbraw/zinc/22/88/28/815228828.db2.gz LZBCBESIIJDVEI-BVBHFADKSA-N 2 1 299.462 2.428 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171772536 815230058 /nfs/dbraw/zinc/23/00/58/815230058.db2.gz DTBLHRKILQGSBC-ZDUSSCGKSA-N 2 1 259.328 2.088 20 0 CEADMP [NH3+]CCCc1[nH+]ccn1[C@@H]1Cc2cccc(F)c2C1 ZINC001171790576 815236830 /nfs/dbraw/zinc/23/68/30/815236830.db2.gz OCFZAVNNUFEISB-GFCCVEGCSA-N 2 1 259.328 2.253 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@H](C)c2ncc[nH]2)C1 ZINC000353499167 808824938 /nfs/dbraw/zinc/82/49/38/808824938.db2.gz UBXXMHBQTAMCPC-CHWSQXEVSA-N 2 1 250.390 2.181 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171806492 815241265 /nfs/dbraw/zinc/24/12/65/815241265.db2.gz GLIVEWAHZBAVDZ-PBHICJAKSA-N 2 1 274.383 2.321 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171806492 815241270 /nfs/dbraw/zinc/24/12/70/815241270.db2.gz GLIVEWAHZBAVDZ-PBHICJAKSA-N 2 1 274.383 2.321 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171806492 815241274 /nfs/dbraw/zinc/24/12/74/815241274.db2.gz GLIVEWAHZBAVDZ-PBHICJAKSA-N 2 1 274.383 2.321 20 0 CEADMP CO[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C12CCC2 ZINC000453392442 809048591 /nfs/dbraw/zinc/04/85/91/809048591.db2.gz FKKJXAVFTPUZSW-GJZGRUSLSA-N 2 1 266.429 2.408 20 0 CEADMP CCOc1ccccc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206153697 815258891 /nfs/dbraw/zinc/25/88/91/815258891.db2.gz FANFGKPGTRBZAJ-KGLIPLIRSA-N 2 1 266.360 2.347 20 0 CEADMP CCOc1ccccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206153697 815258895 /nfs/dbraw/zinc/25/88/95/815258895.db2.gz FANFGKPGTRBZAJ-KGLIPLIRSA-N 2 1 266.360 2.347 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C12CCC2 ZINC000700790888 809348215 /nfs/dbraw/zinc/34/82/15/809348215.db2.gz HGZYLLYRENMPCY-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnn3ccccc23)C1 ZINC000700811185 809355520 /nfs/dbraw/zinc/35/55/20/809355520.db2.gz AYAIKDZKYAKVFA-AWEZNQCLSA-N 2 1 272.396 2.156 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnn3ccccc23)C1 ZINC000700811185 809355526 /nfs/dbraw/zinc/35/55/26/809355526.db2.gz AYAIKDZKYAKVFA-AWEZNQCLSA-N 2 1 272.396 2.156 20 0 CEADMP C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1nnc2ccccn21 ZINC001172099608 815283424 /nfs/dbraw/zinc/28/34/24/815283424.db2.gz LKCZRVYZFGXRDX-XQLPTFJDSA-N 2 1 299.422 2.395 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1nnc2ccccn21 ZINC001172099608 815283429 /nfs/dbraw/zinc/28/34/29/815283429.db2.gz LKCZRVYZFGXRDX-XQLPTFJDSA-N 2 1 299.422 2.395 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1nnc2ccccn21 ZINC001172099608 815283436 /nfs/dbraw/zinc/28/34/36/815283436.db2.gz LKCZRVYZFGXRDX-XQLPTFJDSA-N 2 1 299.422 2.395 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@H]2C1 ZINC001172129818 815289346 /nfs/dbraw/zinc/28/93/46/815289346.db2.gz LEWMUTLEMMXJLL-HSFUPAIVSA-N 3 1 291.483 2.275 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C[C@H]2C1 ZINC001172129818 815289349 /nfs/dbraw/zinc/28/93/49/815289349.db2.gz LEWMUTLEMMXJLL-HSFUPAIVSA-N 2 1 291.483 2.275 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H]1CCCC[N@@H+]1C)C2 ZINC001172101945 815294046 /nfs/dbraw/zinc/29/40/46/815294046.db2.gz IJCVIROJQCPCAR-LVQVYYBASA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCCC[C@@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172101945 815294047 /nfs/dbraw/zinc/29/40/47/815294047.db2.gz IJCVIROJQCPCAR-LVQVYYBASA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCCC[C@@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101945 815294048 /nfs/dbraw/zinc/29/40/48/815294048.db2.gz IJCVIROJQCPCAR-LVQVYYBASA-N 2 1 265.445 2.076 20 0 CEADMP CN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172101945 815294049 /nfs/dbraw/zinc/29/40/49/815294049.db2.gz IJCVIROJQCPCAR-LVQVYYBASA-N 2 1 265.445 2.076 20 0 CEADMP CN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101945 815294050 /nfs/dbraw/zinc/29/40/50/815294050.db2.gz IJCVIROJQCPCAR-LVQVYYBASA-N 2 1 265.445 2.076 20 0 CEADMP CCCOCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104217 815294540 /nfs/dbraw/zinc/29/45/40/815294540.db2.gz AUKMTRLNOAFZDS-QKDCVEJESA-N 2 1 254.418 2.408 20 0 CEADMP COC(=O)[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172108324 815298856 /nfs/dbraw/zinc/29/88/56/815298856.db2.gz UMCWVIPIENPWFP-JHJNDJDLSA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172108324 815298861 /nfs/dbraw/zinc/29/88/61/815298861.db2.gz UMCWVIPIENPWFP-JHJNDJDLSA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172108807 815298930 /nfs/dbraw/zinc/29/89/30/815298930.db2.gz ZOANUUYWGXIFET-QCODTGAPSA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172108807 815298935 /nfs/dbraw/zinc/29/89/35/815298935.db2.gz ZOANUUYWGXIFET-QCODTGAPSA-N 2 1 294.439 2.323 20 0 CEADMP CC(C)NC(=O)[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001172110282 815299622 /nfs/dbraw/zinc/29/96/22/815299622.db2.gz MHUGFXBAHDEGBC-JONQDZQNSA-N 2 1 295.471 2.141 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172117987 815305128 /nfs/dbraw/zinc/30/51/28/815305128.db2.gz MGWDTZZYTFCSGY-NPJQDHAYSA-N 2 1 265.445 2.026 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172117987 815305132 /nfs/dbraw/zinc/30/51/32/815305132.db2.gz MGWDTZZYTFCSGY-NPJQDHAYSA-N 2 1 265.445 2.026 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172117987 815305138 /nfs/dbraw/zinc/30/51/38/815305138.db2.gz MGWDTZZYTFCSGY-NPJQDHAYSA-N 2 1 265.445 2.026 20 0 CEADMP CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001034676446 809658248 /nfs/dbraw/zinc/65/82/48/809658248.db2.gz YUIYWLHQBZPBNA-YHUYYLMFSA-N 2 1 293.455 2.040 20 0 CEADMP COc1ccc(C)cc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703581549 809666949 /nfs/dbraw/zinc/66/69/49/809666949.db2.gz DIWOTPXXXPCPHL-GOEBONIOSA-N 2 1 260.381 2.045 20 0 CEADMP COc1ccc(C)cc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703581549 809666952 /nfs/dbraw/zinc/66/69/52/809666952.db2.gz DIWOTPXXXPCPHL-GOEBONIOSA-N 2 1 260.381 2.045 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@](C)(CO)c1ccccc1)C2 ZINC001172119406 815310091 /nfs/dbraw/zinc/31/00/91/815310091.db2.gz ZNDPOHLMMQHGKY-ZJPYXAASSA-N 2 1 288.435 2.499 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCOCC1(C)C)C2 ZINC001172121350 815310227 /nfs/dbraw/zinc/31/02/27/815310227.db2.gz DUPFQZXDMIETCJ-BTTYYORXSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@H]1COC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708536629 809945518 /nfs/dbraw/zinc/94/55/18/809945518.db2.gz FBAHICOFDYYSMX-MXSMSXNCSA-N 2 1 288.435 2.379 20 0 CEADMP C[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000709638173 809968969 /nfs/dbraw/zinc/96/89/69/809968969.db2.gz NXJCYLRRWGZMHM-VWYCJHECSA-N 2 1 250.308 2.388 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1F)C2 ZINC000709852695 809972619 /nfs/dbraw/zinc/97/26/19/809972619.db2.gz HWDKHBJFTIEDCE-BIMULSAOSA-N 2 1 252.308 2.276 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000709852695 809972624 /nfs/dbraw/zinc/97/26/24/809972624.db2.gz HWDKHBJFTIEDCE-BIMULSAOSA-N 2 1 252.308 2.276 20 0 CEADMP c1csc([C@@H]2CC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)n1 ZINC000710469937 809988861 /nfs/dbraw/zinc/98/88/61/809988861.db2.gz ZUSBIAIMAHIYDP-QWHCGFSZSA-N 2 1 265.426 2.322 20 0 CEADMP CN(C(=O)C[N@@H+](C)CCCCCC[NH3+])c1ccccc1 ZINC000710841951 809995593 /nfs/dbraw/zinc/99/55/93/809995593.db2.gz MDRDIUBXNLOILU-UHFFFAOYSA-N 2 1 277.412 2.100 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172218534 815336924 /nfs/dbraw/zinc/33/69/24/815336924.db2.gz XDWDWYUWMBOWSN-AVOUXACISA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)C[C@H](C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C(C)(C)O1 ZINC000711223564 810050273 /nfs/dbraw/zinc/05/02/73/810050273.db2.gz IWIVESLBBSLIGQ-MGPQQGTHSA-N 2 1 266.429 2.406 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C(C)(C)O1 ZINC000711223564 810050276 /nfs/dbraw/zinc/05/02/76/810050276.db2.gz IWIVESLBBSLIGQ-MGPQQGTHSA-N 2 1 266.429 2.406 20 0 CEADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+]C2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001172220707 815337766 /nfs/dbraw/zinc/33/77/66/815337766.db2.gz PUWHGKKCQCBIFQ-FPCLHWOWSA-N 2 1 298.430 2.416 20 0 CEADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+]C2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001172220707 815337771 /nfs/dbraw/zinc/33/77/71/815337771.db2.gz PUWHGKKCQCBIFQ-FPCLHWOWSA-N 2 1 298.430 2.416 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H]3CN(CCC[NH2+]C4CC4)C[C@H]32)cc1 ZINC000923383280 810089958 /nfs/dbraw/zinc/08/99/58/810089958.db2.gz XQQMCXLJPNFLPI-PKOBYXMFSA-N 2 1 299.462 2.335 20 0 CEADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCCCCC2)CC[C@@H]1C[NH3+] ZINC000923506544 810103789 /nfs/dbraw/zinc/10/37/89/810103789.db2.gz FZKVJKLQOFCXSW-HUUCEWRRSA-N 2 1 295.471 2.132 20 0 CEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccn3C3CC3)[C@@H]2C1 ZINC001204087260 815353516 /nfs/dbraw/zinc/35/35/16/815353516.db2.gz AABBSQXHTLAFQG-APHBMKBZSA-N 2 1 259.397 2.253 20 0 CEADMP COCCC[NH+]1CCC([NH+]2CCC(C)CC2)CC1 ZINC001172249284 815357832 /nfs/dbraw/zinc/35/78/32/815357832.db2.gz IORCPAGDAPDJDC-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCCC[C@@H]2CCOC)CC1 ZINC001172255225 815360858 /nfs/dbraw/zinc/36/08/58/815360858.db2.gz KFNPDSANVXEYBS-MRXNPFEDSA-N 2 1 298.471 2.378 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCCC[C@@H]2CCOC)CC1 ZINC001172255225 815360865 /nfs/dbraw/zinc/36/08/65/815360865.db2.gz KFNPDSANVXEYBS-MRXNPFEDSA-N 2 1 298.471 2.378 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001015791499 810355132 /nfs/dbraw/zinc/35/51/32/810355132.db2.gz GHCVOTYIZPXLRX-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015791499 810355138 /nfs/dbraw/zinc/35/51/38/810355138.db2.gz GHCVOTYIZPXLRX-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015791499 810355141 /nfs/dbraw/zinc/35/51/41/810355141.db2.gz GHCVOTYIZPXLRX-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP COC1(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCC1 ZINC001119246850 810410657 /nfs/dbraw/zinc/41/06/57/810410657.db2.gz JFBFAHZCBRNRJH-OAHLLOKOSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001017154645 810496875 /nfs/dbraw/zinc/49/68/75/810496875.db2.gz WCZCTUAYHOTHQH-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001017154645 810496881 /nfs/dbraw/zinc/49/68/81/810496881.db2.gz WCZCTUAYHOTHQH-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001017154645 810496884 /nfs/dbraw/zinc/49/68/84/810496884.db2.gz WCZCTUAYHOTHQH-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC1(C)C[C@H]([NH+]2CCC([NH+]3CCCC3)CC2)CO1 ZINC001172280394 815374417 /nfs/dbraw/zinc/37/44/17/815374417.db2.gz PTLMWLZHSRPFGO-AWEZNQCLSA-N 2 1 252.402 2.114 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccc(F)cc3)CC[C@@H]21 ZINC001119975348 810570078 /nfs/dbraw/zinc/57/00/78/810570078.db2.gz UKGQMWUMUIGSSG-ZBFHGGJFSA-N 2 1 262.372 2.394 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccc(F)cc3)CC[C@@H]21 ZINC001119975348 810570083 /nfs/dbraw/zinc/57/00/83/810570083.db2.gz UKGQMWUMUIGSSG-ZBFHGGJFSA-N 2 1 262.372 2.394 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccc(F)cc3)CC[C@@H]21 ZINC001119975348 810570086 /nfs/dbraw/zinc/57/00/86/810570086.db2.gz UKGQMWUMUIGSSG-ZBFHGGJFSA-N 2 1 262.372 2.394 20 0 CEADMP C[C@@H]1CC[C@@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)C[C@@H]1C ZINC001172363217 815403341 /nfs/dbraw/zinc/40/33/41/815403341.db2.gz DSMNUXMIAWFMRB-OWCLPIDISA-N 3 1 269.477 2.414 20 0 CEADMP C[C@@H]1CC[C@@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)C[C@@H]1C ZINC001172363217 815403343 /nfs/dbraw/zinc/40/33/43/815403343.db2.gz DSMNUXMIAWFMRB-OWCLPIDISA-N 3 1 269.477 2.414 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1C(C)C ZINC001038908368 810945296 /nfs/dbraw/zinc/94/52/96/810945296.db2.gz JBYJLJFJGMXBNO-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C(C)C ZINC001038908368 810945303 /nfs/dbraw/zinc/94/53/03/810945303.db2.gz JBYJLJFJGMXBNO-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C(C)C ZINC001038908368 810945308 /nfs/dbraw/zinc/94/53/08/810945308.db2.gz JBYJLJFJGMXBNO-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001039389655 811021604 /nfs/dbraw/zinc/02/16/04/811021604.db2.gz FHCNWAZUYUOTEU-PMPSAXMXSA-N 2 1 295.471 2.048 20 0 CEADMP C[N@H+]1CC[C@@H](c2ccc(-n3cc4c(n3)CC[C@H]([NH3+])C4)cc2)C1 ZINC001168817486 811246968 /nfs/dbraw/zinc/24/69/68/811246968.db2.gz IHGJGSXISLDRMY-ZBFHGGJFSA-N 2 1 296.418 2.107 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC001205995899 811294670 /nfs/dbraw/zinc/29/46/70/811294670.db2.gz RQVBMVXSBHKBBA-DOMZBBRYSA-N 2 1 278.444 2.327 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Nc1ccc(CC[NH3+])cc1)C2 ZINC001169092913 811363251 /nfs/dbraw/zinc/36/32/51/811363251.db2.gz DUHBTBIYZBAXLV-PHZGNYQRSA-N 2 1 259.397 2.225 20 0 CEADMP CC(C)OCC[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001172452135 815441861 /nfs/dbraw/zinc/44/18/61/815441861.db2.gz XXHYWGFTWFOKLV-AWEZNQCLSA-N 2 1 256.434 2.464 20 0 CEADMP COc1ccc(OCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169095663 811366373 /nfs/dbraw/zinc/36/63/73/811366373.db2.gz QOPQQRGFYZDLEV-QDMKHBRRSA-N 2 1 290.407 2.289 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1Cc3ccccc3O1)C2 ZINC001169094891 811367631 /nfs/dbraw/zinc/36/76/31/811367631.db2.gz MXPQBGYYFWRMFH-LVQVYYBASA-N 2 1 272.392 2.205 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)C2 ZINC001169100283 811372986 /nfs/dbraw/zinc/37/29/86/811372986.db2.gz IEBSBMCBOBLEGB-OQMKEHIESA-N 2 1 296.361 2.213 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(c3ccccn3)CC1)C2 ZINC001169101200 811374833 /nfs/dbraw/zinc/37/48/33/811374833.db2.gz PCXYJVCENYIXBJ-QKDCVEJESA-N 2 1 271.408 2.328 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@]13C[C@H]4C[C@@H](C1)C[C@](O)(C4)C3)C2 ZINC001169102282 811375407 /nfs/dbraw/zinc/37/54/07/811375407.db2.gz YWWHWVANEDLHPW-RMOMIUFQSA-N 2 1 290.451 2.285 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC001169079747 811378466 /nfs/dbraw/zinc/37/84/66/811378466.db2.gz KZVHXWVUMGIMPG-XDQVBPFNSA-N 2 1 297.443 2.114 20 0 CEADMP CC(C)OCC[C@@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172453208 815443163 /nfs/dbraw/zinc/44/31/63/815443163.db2.gz FCXOFKADFYLNRL-RBSFLKMASA-N 2 1 254.418 2.074 20 0 CEADMP C[NH+](C)CC1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169122620 811390072 /nfs/dbraw/zinc/39/00/72/811390072.db2.gz CELIDHPOVKPTRI-BOXKHOIUSA-N 3 1 279.472 2.322 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(C[NH+](C)C)CC1)C2 ZINC001169122620 811390083 /nfs/dbraw/zinc/39/00/83/811390083.db2.gz CELIDHPOVKPTRI-BOXKHOIUSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+](C)CC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169122621 811390258 /nfs/dbraw/zinc/39/02/58/811390258.db2.gz CELIDHPOVKPTRI-NWJOVSIXSA-N 3 1 279.472 2.322 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCC(C[NH+](C)C)CC1)C2 ZINC001169122621 811390267 /nfs/dbraw/zinc/39/02/67/811390267.db2.gz CELIDHPOVKPTRI-NWJOVSIXSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC(C)(C)C[C@@]1(C)CO)C2 ZINC001169124557 811391424 /nfs/dbraw/zinc/39/14/24/811391424.db2.gz FFNHEYWUGXOMKQ-FQLMCAECSA-N 2 1 266.429 2.095 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC(C)(C)C[C@@]1(C)CO)C2 ZINC001169124557 811391434 /nfs/dbraw/zinc/39/14/34/811391434.db2.gz FFNHEYWUGXOMKQ-FQLMCAECSA-N 2 1 266.429 2.095 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC(C)(C)C[C@@]1(C)CO)C2 ZINC001169124557 811391442 /nfs/dbraw/zinc/39/14/42/811391442.db2.gz FFNHEYWUGXOMKQ-FQLMCAECSA-N 2 1 266.429 2.095 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC(C)(C)C[C@@]1(C)CO)C2 ZINC001169124557 811391450 /nfs/dbraw/zinc/39/14/50/811391450.db2.gz FFNHEYWUGXOMKQ-FQLMCAECSA-N 2 1 266.429 2.095 20 0 CEADMP COC(=O)CC[N@H+](C1CCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169141649 811409403 /nfs/dbraw/zinc/40/94/03/811409403.db2.gz RNDMSCKJWVIFHI-MUJYYYPQSA-N 2 1 294.439 2.419 20 0 CEADMP COC(=O)CC[N@@H+](C1CCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169141649 811409405 /nfs/dbraw/zinc/40/94/05/811409405.db2.gz RNDMSCKJWVIFHI-MUJYYYPQSA-N 2 1 294.439 2.419 20 0 CEADMP COC(=O)CC[NH+](C1CCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169141649 811409410 /nfs/dbraw/zinc/40/94/10/811409410.db2.gz RNDMSCKJWVIFHI-MUJYYYPQSA-N 2 1 294.439 2.419 20 0 CEADMP COC(=O)CC[NH+](C1CCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169141649 811409412 /nfs/dbraw/zinc/40/94/12/811409412.db2.gz RNDMSCKJWVIFHI-MUJYYYPQSA-N 2 1 294.439 2.419 20 0 CEADMP C[NH2+]CCc1c(C)nn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC001169148451 811413039 /nfs/dbraw/zinc/41/30/39/811413039.db2.gz ZGTQVAGUJBQFCC-FICVDOATSA-N 2 1 276.428 2.060 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cncc1C1CC[NH2+]CC1)C2 ZINC001169155587 811415982 /nfs/dbraw/zinc/41/59/82/811415982.db2.gz RUJABYKZMVKSMA-QDMKHBRRSA-N 2 1 274.412 2.148 20 0 CEADMP CO[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001169161727 811421707 /nfs/dbraw/zinc/42/17/07/811421707.db2.gz QFTUCSWZDCLNHZ-UXXRCYHCSA-N 2 1 252.402 2.111 20 0 CEADMP CO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC001169161727 811421714 /nfs/dbraw/zinc/42/17/14/811421714.db2.gz QFTUCSWZDCLNHZ-UXXRCYHCSA-N 2 1 252.402 2.111 20 0 CEADMP CO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC001169161727 811421719 /nfs/dbraw/zinc/42/17/19/811421719.db2.gz QFTUCSWZDCLNHZ-UXXRCYHCSA-N 2 1 252.402 2.111 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)N(O)C2(C)C)CC1 ZINC001169229880 811442292 /nfs/dbraw/zinc/44/22/92/811442292.db2.gz JCUOUSOOHQBXCB-ZDUSSCGKSA-N 2 1 269.433 2.081 20 0 CEADMP CCOC(=O)[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC001169242221 811458319 /nfs/dbraw/zinc/45/83/19/811458319.db2.gz ZOUWSGQWTNIMOJ-LSDHHAIUSA-N 2 1 282.428 2.182 20 0 CEADMP CC[NH+]1CCC([N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC1 ZINC001169251161 811464052 /nfs/dbraw/zinc/46/40/52/811464052.db2.gz UYJKLUUBSLAZRF-YPMHNXCESA-N 2 1 258.356 2.448 20 0 CEADMP CC[NH+]1CCC([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC1 ZINC001169251161 811464055 /nfs/dbraw/zinc/46/40/55/811464055.db2.gz UYJKLUUBSLAZRF-YPMHNXCESA-N 2 1 258.356 2.448 20 0 CEADMP [NH3+]CC1([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169293212 811473450 /nfs/dbraw/zinc/47/34/50/811473450.db2.gz LZYSZCCMRWANTM-UHFFFAOYSA-N 2 1 288.391 2.236 20 0 CEADMP Cc1cccc2c(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)[nH]nc21 ZINC001206165088 815458845 /nfs/dbraw/zinc/45/88/45/815458845.db2.gz MCPNGJPBXVZPNU-STQMWFEESA-N 2 1 276.359 2.133 20 0 CEADMP Cc1cccc2c(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)[nH]nc21 ZINC001206165088 815458848 /nfs/dbraw/zinc/45/88/48/815458848.db2.gz MCPNGJPBXVZPNU-STQMWFEESA-N 2 1 276.359 2.133 20 0 CEADMP CC(C)=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001045390833 811606246 /nfs/dbraw/zinc/60/62/46/811606246.db2.gz VQNCWCQUTGBAKV-HNNXBMFYSA-N 2 1 293.455 2.018 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccn3ccnc23)CCC[C@H]1C[NH3+] ZINC001206014847 811607609 /nfs/dbraw/zinc/60/76/09/811607609.db2.gz YGTGSHHQGILOKX-KBPBESRZSA-N 2 1 272.396 2.141 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169947461 811721786 /nfs/dbraw/zinc/72/17/86/811721786.db2.gz BZHXKQQIJTYMNL-OAHLLOKOSA-N 2 1 282.428 2.090 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC001172611125 815473356 /nfs/dbraw/zinc/47/33/56/815473356.db2.gz LRWMRAHNQQWPML-ZBFHGGJFSA-N 2 1 294.439 2.278 20 0 CEADMP COc1ccoc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206028745 811898615 /nfs/dbraw/zinc/89/86/15/811898615.db2.gz YXTFFWNTOURFOF-VXGBXAGGSA-N 2 1 252.358 2.095 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)C1 ZINC001172624950 815485816 /nfs/dbraw/zinc/48/58/16/815485816.db2.gz UCPGHZSBYGZISI-UONOGXRCSA-N 2 1 291.395 2.254 20 0 CEADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001109673464 811926445 /nfs/dbraw/zinc/92/64/45/811926445.db2.gz KONLRNBIEVHWCD-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@H]1F ZINC001206173585 815487463 /nfs/dbraw/zinc/48/74/63/815487463.db2.gz IKWJTOWOJPHXAP-CVEARBPZSA-N 2 1 288.370 2.134 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@H]1F ZINC001206173585 815487466 /nfs/dbraw/zinc/48/74/66/815487466.db2.gz IKWJTOWOJPHXAP-CVEARBPZSA-N 2 1 288.370 2.134 20 0 CEADMP Cc1cc(O)cc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206174792 815493539 /nfs/dbraw/zinc/49/35/39/815493539.db2.gz PNHULRVRAVQOPS-GJZGRUSLSA-N 2 1 266.360 2.270 20 0 CEADMP Cc1cc(O)cc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206174792 815493541 /nfs/dbraw/zinc/49/35/41/815493541.db2.gz PNHULRVRAVQOPS-GJZGRUSLSA-N 2 1 266.360 2.270 20 0 CEADMP Cc1cc([NH+]2CCCCC2)ccc1NC[C@H]1COCC[NH2+]1 ZINC001170048172 812005109 /nfs/dbraw/zinc/00/51/09/812005109.db2.gz WOJSJVBMAURYBN-HNNXBMFYSA-N 2 1 289.423 2.386 20 0 CEADMP CC(C)[C@H](O)C[NH2+][C@@H](CC[NH+](C)C)c1ccccc1 ZINC001253778537 812042487 /nfs/dbraw/zinc/04/24/87/812042487.db2.gz SPRCYAXSKPFFLL-JKSUJKDBSA-N 2 1 264.413 2.286 20 0 CEADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NCC2C[NH+](C)C2)nc1 ZINC001170253936 812372500 /nfs/dbraw/zinc/37/25/00/812372500.db2.gz SPMLYJSKUHAWKM-CQSZACIVSA-N 2 1 288.439 2.430 20 0 CEADMP C[N@H+]1CCC[C@H](NC(=[NH2+])c2ccc(Cl)nc2)CC1 ZINC001254500434 812413981 /nfs/dbraw/zinc/41/39/81/812413981.db2.gz GVWXUWGWXHKNML-NSHDSACASA-N 2 1 266.776 2.134 20 0 CEADMP C[N@H+]1CCC[C@@H](Nc2ccc(C[NH3+])c(F)c2)CC1 ZINC001254512434 812424358 /nfs/dbraw/zinc/42/43/58/812424358.db2.gz NMMFHFAKCVYPHC-GFCCVEGCSA-N 2 1 251.349 2.181 20 0 CEADMP COc1cc(N2CC[C@](F)(C[NH3+])C2)[nH+]c2ccccc21 ZINC001157818558 812481418 /nfs/dbraw/zinc/48/14/18/812481418.db2.gz SECLSPBZUKUBEK-HNNXBMFYSA-N 2 1 275.327 2.121 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CCCC(C)(C)C ZINC001130425303 812566724 /nfs/dbraw/zinc/56/67/24/812566724.db2.gz SMYUAPJJHAOVBD-UHFFFAOYSA-N 2 1 285.476 2.249 20 0 CEADMP C[C@@H](Nc1cc(C(C)(C)C)cc[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001170575133 812697184 /nfs/dbraw/zinc/69/71/84/812697184.db2.gz OHZSQUHHIMSRRB-YPMHNXCESA-N 2 1 263.385 2.168 20 0 CEADMP CO[C@@H]1CCC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC001172934398 815552188 /nfs/dbraw/zinc/55/21/88/815552188.db2.gz AVTUIIPYHYUMNJ-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132105768 812788645 /nfs/dbraw/zinc/78/86/45/812788645.db2.gz MUKNLPSDAONPQK-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052245281 812954836 /nfs/dbraw/zinc/95/48/36/812954836.db2.gz NTSRCLAVRWFSBE-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001052245281 812954841 /nfs/dbraw/zinc/95/48/41/812954841.db2.gz NTSRCLAVRWFSBE-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001052245281 812954844 /nfs/dbraw/zinc/95/48/44/812954844.db2.gz NTSRCLAVRWFSBE-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](C[NH2+]C(C)C)C1 ZINC001132938654 812960636 /nfs/dbraw/zinc/96/06/36/812960636.db2.gz XIFGURKHRDRTHB-HUUCEWRRSA-N 2 1 297.487 2.199 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206188322 815567888 /nfs/dbraw/zinc/56/78/88/815567888.db2.gz VGRUXQVEOSCXEE-CABCVRRESA-N 2 1 294.370 2.125 20 0 CEADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)[C@@H]2CCSC2)CC1 ZINC001255274586 813038316 /nfs/dbraw/zinc/03/83/16/813038316.db2.gz CUUVEONFDXVDKX-MGPQQGTHSA-N 2 1 254.443 2.474 20 0 CEADMP C[N@@H+](CCC[NH2+]C1CC1)CCOCc1ccccc1 ZINC000383609061 813105590 /nfs/dbraw/zinc/10/55/90/813105590.db2.gz MDNOOTFXYMICHV-UHFFFAOYSA-N 2 1 262.397 2.277 20 0 CEADMP C[N@H+](CCC[NH2+]C1CC1)CCOCc1ccccc1 ZINC000383609061 813105586 /nfs/dbraw/zinc/10/55/86/813105586.db2.gz MDNOOTFXYMICHV-UHFFFAOYSA-N 2 1 262.397 2.277 20 0 CEADMP CCCOC1CCC(n2c[nH+]cc2CC[NH3+])CC1 ZINC001173087552 815579563 /nfs/dbraw/zinc/57/95/63/815579563.db2.gz OYKFOQWSGOZFNA-UHFFFAOYSA-N 2 1 251.374 2.295 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]C(C)C)C1 ZINC001086711875 813155442 /nfs/dbraw/zinc/15/54/42/813155442.db2.gz FTWHLCVZOYWGJR-XHSDSOJGSA-N 2 1 295.471 2.144 20 0 CEADMP Cc1cc(C)n(CC[N@@H+](C)C2(C[NH3+])CCCCC2)n1 ZINC000386965518 813195785 /nfs/dbraw/zinc/19/57/85/813195785.db2.gz ZWEZSATUUDBRMA-UHFFFAOYSA-N 2 1 264.417 2.093 20 0 CEADMP Cc1cc(C)n(CC[N@H+](C)C2(C[NH3+])CCCCC2)n1 ZINC000386965518 813195789 /nfs/dbraw/zinc/19/57/89/813195789.db2.gz ZWEZSATUUDBRMA-UHFFFAOYSA-N 2 1 264.417 2.093 20 0 CEADMP O[C@H](CN1CCCC1)C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000388582280 813240232 /nfs/dbraw/zinc/24/02/32/813240232.db2.gz JSVVUUALWKUAPG-CVEARBPZSA-N 2 1 266.429 2.098 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000388582280 813240240 /nfs/dbraw/zinc/24/02/40/813240240.db2.gz JSVVUUALWKUAPG-CVEARBPZSA-N 2 1 266.429 2.098 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000388582280 813240244 /nfs/dbraw/zinc/24/02/44/813240244.db2.gz JSVVUUALWKUAPG-CVEARBPZSA-N 2 1 266.429 2.098 20 0 CEADMP C[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000390363258 813263359 /nfs/dbraw/zinc/26/33/59/813263359.db2.gz PPOKWZNDGUIEDM-GOEBONIOSA-N 2 1 262.397 2.262 20 0 CEADMP C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000390363258 813263366 /nfs/dbraw/zinc/26/33/66/813263366.db2.gz PPOKWZNDGUIEDM-GOEBONIOSA-N 2 1 262.397 2.262 20 0 CEADMP C[C@H](CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[N@@H+](C)Cc1ccccc1 ZINC000390654180 813268115 /nfs/dbraw/zinc/26/81/15/813268115.db2.gz OISSAOSFFADCCQ-HKLFFAROSA-N 2 1 299.462 2.093 20 0 CEADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170751145 813271255 /nfs/dbraw/zinc/27/12/55/813271255.db2.gz OYBYIKRGGMIYQD-RFBLXINOSA-N 2 1 278.440 2.074 20 0 CEADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170751145 813271261 /nfs/dbraw/zinc/27/12/61/813271261.db2.gz OYBYIKRGGMIYQD-RFBLXINOSA-N 2 1 278.440 2.074 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170751145 813271268 /nfs/dbraw/zinc/27/12/68/813271268.db2.gz OYBYIKRGGMIYQD-RFBLXINOSA-N 2 1 278.440 2.074 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170751145 813271274 /nfs/dbraw/zinc/27/12/74/813271274.db2.gz OYBYIKRGGMIYQD-RFBLXINOSA-N 2 1 278.440 2.074 20 0 CEADMP CC/C=C\CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134763191 813322033 /nfs/dbraw/zinc/32/20/33/813322033.db2.gz PGUILYGRSXLJFA-KJPDOMRESA-N 2 1 295.471 2.311 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CC1 ZINC001134774406 813322593 /nfs/dbraw/zinc/32/25/93/813322593.db2.gz YDBOVDFKJMWKHW-UONOGXRCSA-N 2 1 297.487 2.390 20 0 CEADMP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC001170797722 813376004 /nfs/dbraw/zinc/37/60/04/813376004.db2.gz YGOWXBYNQMCJSZ-HOTGVXAUSA-N 2 1 266.429 2.410 20 0 CEADMP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC001170797722 813376009 /nfs/dbraw/zinc/37/60/09/813376009.db2.gz YGOWXBYNQMCJSZ-HOTGVXAUSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086733966 813438260 /nfs/dbraw/zinc/43/82/60/813438260.db2.gz MGRGGEUXKUHDRV-XHSDSOJGSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H](C[C@@H](C)[NH2+]CC1CC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135466825 813442137 /nfs/dbraw/zinc/44/21/37/813442137.db2.gz AMKSPKRCJCBKNO-ZIAGYGMSSA-N 2 1 295.471 2.001 20 0 CEADMP CN(CC[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C)C1 ZINC001255493993 813458304 /nfs/dbraw/zinc/45/83/04/813458304.db2.gz DEBUZHYEUFVAHL-QGZVFWFLSA-N 2 1 275.440 2.144 20 0 CEADMP CN(CC[NH+](C)Cc1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC001255493993 813458309 /nfs/dbraw/zinc/45/83/09/813458309.db2.gz DEBUZHYEUFVAHL-QGZVFWFLSA-N 2 1 275.440 2.144 20 0 CEADMP CN(CC[NH+](C)Cc1ccccc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001255493993 813458316 /nfs/dbraw/zinc/45/83/16/813458316.db2.gz DEBUZHYEUFVAHL-QGZVFWFLSA-N 2 1 275.440 2.144 20 0 CEADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170827988 813475928 /nfs/dbraw/zinc/47/59/28/813475928.db2.gz QHUFJIMABCFYAO-NVXWUHKLSA-N 2 1 296.455 2.131 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071870980 813503108 /nfs/dbraw/zinc/50/31/08/813503108.db2.gz FIFJYHUVMRQUGF-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000395714123 813536862 /nfs/dbraw/zinc/53/68/62/813536862.db2.gz IDEIGIRUIQFBAA-INIZCTEOSA-N 2 1 298.377 2.461 20 0 CEADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072072362 813540636 /nfs/dbraw/zinc/54/06/36/813540636.db2.gz JCLULOVIWBLVDK-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860392 813548089 /nfs/dbraw/zinc/54/80/89/813548089.db2.gz AZFQDYIKERJODZ-HUUCEWRRSA-N 2 1 285.476 2.391 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC=C(C)C ZINC001135860361 813548639 /nfs/dbraw/zinc/54/86/39/813548639.db2.gz ASGDVPXZNCVAJX-LSDHHAIUSA-N 2 1 283.460 2.167 20 0 CEADMP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860391 813548671 /nfs/dbraw/zinc/54/86/71/813548671.db2.gz AZFQDYIKERJODZ-GJZGRUSLSA-N 2 1 285.476 2.391 20 0 CEADMP CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135996399 813583509 /nfs/dbraw/zinc/58/35/09/813583509.db2.gz SEGISXNITQTBHW-KGLIPLIRSA-N 2 1 271.449 2.001 20 0 CEADMP C[N@@H+](CCO)CCC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170919347 813643149 /nfs/dbraw/zinc/64/31/49/813643149.db2.gz YRGRYIARUYLEPQ-AWEZNQCLSA-N 2 1 296.842 2.101 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H](C)[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246089246 813678508 /nfs/dbraw/zinc/67/85/08/813678508.db2.gz CERBULWLCKJDFL-NPJQDHAYSA-N 3 1 267.461 2.273 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246091186 813680295 /nfs/dbraw/zinc/68/02/95/813680295.db2.gz GZBSTTHTSIMPEQ-KKUMJFAQSA-N 3 1 255.450 2.085 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1CN[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246109736 813701638 /nfs/dbraw/zinc/70/16/38/813701638.db2.gz KRLLXWDZQPHYPS-JYJNAYRXSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]1 ZINC001246110584 813703673 /nfs/dbraw/zinc/70/36/73/813703673.db2.gz NBIADFFHCHXSDG-KFWWJZLASA-N 3 1 265.445 2.171 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000399274840 813706992 /nfs/dbraw/zinc/70/69/92/813706992.db2.gz VNQYHKTXUUYETP-VHSXEESVSA-N 2 1 251.201 2.241 20 0 CEADMP CCOC(=O)C[C@]1([NH2+]C2C[C@H](C)C[C@@H](C)C2)CC[NH2+]C1 ZINC001246127973 813709055 /nfs/dbraw/zinc/70/90/55/813709055.db2.gz LHFUVMRVVNKZAF-XJKCOSOUSA-N 2 1 282.428 2.086 20 0 CEADMP CCCC[NH+](CCCC)CC[NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246194738 813726799 /nfs/dbraw/zinc/72/67/99/813726799.db2.gz UBUCRXRENZXNHA-BJWYYQGGSA-N 3 1 281.488 2.476 20 0 CEADMP CCCC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]1 ZINC001246228742 813741164 /nfs/dbraw/zinc/74/11/64/813741164.db2.gz IWUKZVKZLDYSGO-MJBXVCDLSA-N 3 1 289.414 2.132 20 0 CEADMP CCCCCC[C@H](CC)[NH2+][C@@]1(CCO)CC[NH2+]C1 ZINC001246296543 813764154 /nfs/dbraw/zinc/76/41/54/813764154.db2.gz RZPSPDFAARIWGI-LSDHHAIUSA-N 2 1 256.434 2.440 20 0 CEADMP COc1ccc(C2([NH2+][C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC001246359364 813799681 /nfs/dbraw/zinc/79/96/81/813799681.db2.gz AFVLEIWNZINMEK-JSGCOSHPSA-N 2 1 260.381 2.414 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)C[NH2+]1 ZINC001246366689 813804400 /nfs/dbraw/zinc/80/44/00/813804400.db2.gz PSBLPPSLOUGONL-RHSMWYFYSA-N 3 1 279.472 2.229 20 0 CEADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(OC)ccn3)(C1)CCC2 ZINC001276390335 813853000 /nfs/dbraw/zinc/85/30/00/813853000.db2.gz GYKXORKISQVKLB-JKSUJKDBSA-N 2 1 275.396 2.245 20 0 CEADMP Cc1c(O)cccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001144107644 813964910 /nfs/dbraw/zinc/96/49/10/813964910.db2.gz NODWPKZPTQZCGS-UHFFFAOYSA-N 2 1 283.375 2.418 20 0 CEADMP CCC[NH+]1CCC([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC1 ZINC001246548984 813997442 /nfs/dbraw/zinc/99/74/42/813997442.db2.gz LSNQCQLPRIXMQD-OAHLLOKOSA-N 3 1 271.424 2.014 20 0 CEADMP CCCN1CCC([N@@H+]2CCC[C@](F)(C[NH3+])CC2)CC1 ZINC001246548984 813997447 /nfs/dbraw/zinc/99/74/47/813997447.db2.gz LSNQCQLPRIXMQD-OAHLLOKOSA-N 2 1 271.424 2.014 20 0 CEADMP CCCN1CCC([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC1 ZINC001246548984 813997450 /nfs/dbraw/zinc/99/74/50/813997450.db2.gz LSNQCQLPRIXMQD-OAHLLOKOSA-N 2 1 271.424 2.014 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCC ZINC001099321223 814001054 /nfs/dbraw/zinc/00/10/54/814001054.db2.gz RBTWJNXZSIQIOK-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC ZINC001099321223 814001062 /nfs/dbraw/zinc/00/10/62/814001062.db2.gz RBTWJNXZSIQIOK-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC ZINC001099321223 814001070 /nfs/dbraw/zinc/00/10/70/814001070.db2.gz RBTWJNXZSIQIOK-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC001246564613 814054282 /nfs/dbraw/zinc/05/42/82/814054282.db2.gz YASFTSIAWZRITA-XGUBFFRZSA-N 2 1 282.428 2.025 20 0 CEADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C(C)(C)N1O ZINC001256069326 814098912 /nfs/dbraw/zinc/09/89/12/814098912.db2.gz ANLIHYBJQOAXDX-AWEZNQCLSA-N 2 1 281.444 2.224 20 0 CEADMP CCCC[NH+]1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144623392 814132723 /nfs/dbraw/zinc/13/27/23/814132723.db2.gz UOKILTMFFQPNEY-UHFFFAOYSA-N 2 1 272.396 2.252 20 0 CEADMP CCOC(=O)N1CCC[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC001246581394 814153307 /nfs/dbraw/zinc/15/33/07/814153307.db2.gz JUFUVJMHDLKMSY-HUUCEWRRSA-N 2 1 297.443 2.058 20 0 CEADMP CC1(C)C[C@@H]([N@@H+]2CCCC[C@](F)(C[NH3+])C2)CCO1 ZINC001246584567 814164197 /nfs/dbraw/zinc/16/41/97/814164197.db2.gz XMPYHXXOXYJMIY-JSGCOSHPSA-N 2 1 258.381 2.097 20 0 CEADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@](F)(C[NH3+])C2)CCO1 ZINC001246584567 814164207 /nfs/dbraw/zinc/16/42/07/814164207.db2.gz XMPYHXXOXYJMIY-JSGCOSHPSA-N 2 1 258.381 2.097 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)c2ccccc2)CC[NH2+]1 ZINC001246826729 814268178 /nfs/dbraw/zinc/26/81/78/814268178.db2.gz XRUPNGKILBGLHO-UKRRQHHQSA-N 2 1 260.381 2.332 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)c2ccccc2)CC[NH2+]1 ZINC001246826729 814268186 /nfs/dbraw/zinc/26/81/86/814268186.db2.gz XRUPNGKILBGLHO-UKRRQHHQSA-N 2 1 260.381 2.332 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246864600 814304297 /nfs/dbraw/zinc/30/42/97/814304297.db2.gz UQAYPJFPDHZESJ-KGLIPLIRSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246864600 814304304 /nfs/dbraw/zinc/30/43/04/814304304.db2.gz UQAYPJFPDHZESJ-KGLIPLIRSA-N 2 1 252.402 2.162 20 0 CEADMP CN(C[C@@H]1CCC[NH2+]1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246889407 814341925 /nfs/dbraw/zinc/34/19/25/814341925.db2.gz PVZWGDVRMCEKAA-GOEBONIOSA-N 2 1 265.445 2.077 20 0 CEADMP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001086883004 814639321 /nfs/dbraw/zinc/63/93/21/814639321.db2.gz BGSTZXBSGKWBFY-ARFHVFGLSA-N 2 1 295.471 2.145 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCCC3(C2)OCCO3)CC1 ZINC001173113047 815584448 /nfs/dbraw/zinc/58/44/48/815584448.db2.gz HFTIERSGITWLTF-UHFFFAOYSA-N 2 1 296.455 2.478 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2Cc3cnn(C)c3C2)CC1 ZINC001173114456 815584734 /nfs/dbraw/zinc/58/47/34/815584734.db2.gz KXSJSWIUTKGKNA-UHFFFAOYSA-N 2 1 276.428 2.389 20 0 CEADMP C([C@@H]1CCC2(CCC2)O1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000712503564 814752154 /nfs/dbraw/zinc/75/21/54/814752154.db2.gz OOXPDBGYEBIKGV-LSDHHAIUSA-N 2 1 264.413 2.164 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH+](C)C)C[N@@H+]1C1CC1 ZINC001116295016 814844640 /nfs/dbraw/zinc/84/46/40/814844640.db2.gz APAVNAMTHBQZJF-OCVGTWLNSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH+](C)C)C[N@H+]1C1CC1 ZINC001116295016 814844643 /nfs/dbraw/zinc/84/46/43/814844643.db2.gz APAVNAMTHBQZJF-OCVGTWLNSA-N 2 1 265.445 2.074 20 0 CEADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC001116918313 814891921 /nfs/dbraw/zinc/89/19/21/814891921.db2.gz XEMURSBSKBYUKP-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC(C)(C)O2)CC[N@H+]1C ZINC000714369536 814899874 /nfs/dbraw/zinc/89/98/74/814899874.db2.gz WEJZIQQLCVSNHU-MCIONIFRSA-N 2 1 254.418 2.406 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)CO2 ZINC001173149872 815607435 /nfs/dbraw/zinc/60/74/35/815607435.db2.gz XPWOYHRVUXIYMJ-KGLIPLIRSA-N 2 1 290.407 2.073 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3c(c2)NCCC3)CC[C@H]1F ZINC001206196852 815641398 /nfs/dbraw/zinc/64/13/98/815641398.db2.gz DXDFYAOLLDISQI-CABCVRRESA-N 2 1 277.387 2.306 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001173355475 815696234 /nfs/dbraw/zinc/69/62/34/815696234.db2.gz BUDBYJSKSNMUOQ-QGZVFWFLSA-N 2 1 279.472 2.279 20 0 CEADMP CC[N@@H+]1CC[C@H](N2CC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001173365289 815703630 /nfs/dbraw/zinc/70/36/30/815703630.db2.gz FDQRWTVREJQYJW-SFHVURJKSA-N 2 1 287.451 2.207 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001173365289 815703633 /nfs/dbraw/zinc/70/36/33/815703633.db2.gz FDQRWTVREJQYJW-SFHVURJKSA-N 2 1 287.451 2.207 20 0 CEADMP CC[N@@H+]1CC[C@H](N2CC3(CC[NH+]3Cc3ccccc3)C2)C1 ZINC001173365960 815705490 /nfs/dbraw/zinc/70/54/90/815705490.db2.gz SZAZGPWATVSILX-KRWDZBQOSA-N 2 1 285.435 2.041 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC3(CC[NH+]3Cc3ccccc3)C2)C1 ZINC001173365960 815705495 /nfs/dbraw/zinc/70/54/95/815705495.db2.gz SZAZGPWATVSILX-KRWDZBQOSA-N 2 1 285.435 2.041 20 0 CEADMP CC[NH+]1CC[C@H](N2CC3(CC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001173365960 815705499 /nfs/dbraw/zinc/70/54/99/815705499.db2.gz SZAZGPWATVSILX-KRWDZBQOSA-N 2 1 285.435 2.041 20 0 CEADMP CC[NH+]1CC[C@H](N2CC3(CC[N@H+]3Cc3ccccc3)C2)C1 ZINC001173365960 815705504 /nfs/dbraw/zinc/70/55/04/815705504.db2.gz SZAZGPWATVSILX-KRWDZBQOSA-N 2 1 285.435 2.041 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC[NH+](CCc3cccs3)CC2)C1 ZINC001173365672 815705808 /nfs/dbraw/zinc/70/58/08/815705808.db2.gz MZXIKRBJPINFBK-OAHLLOKOSA-N 2 1 293.480 2.002 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)CCCCC(=O)OC)CC1 ZINC001173435510 815713285 /nfs/dbraw/zinc/71/32/85/815713285.db2.gz BRIQNKOVXLPELC-CYBMUJFWSA-N 2 1 270.417 2.182 20 0 CEADMP CC(C)[N@@H+](CCC[NH3+])C1Cc2cc(F)c(F)cc2C1 ZINC001173475713 815724847 /nfs/dbraw/zinc/72/48/47/815724847.db2.gz QALHCNVRWQPYDK-UHFFFAOYSA-N 2 1 268.351 2.491 20 0 CEADMP CC[NH+]1C[C@H]2C[NH+](Cc3cccc4nccnc34)C[C@@H]2C1 ZINC001138309356 815763909 /nfs/dbraw/zinc/76/39/09/815763909.db2.gz LJCJBQYMMAFCGZ-GJZGRUSLSA-N 2 1 282.391 2.013 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@](C)(O)C2)cc1 ZINC001138544457 815823122 /nfs/dbraw/zinc/82/31/22/815823122.db2.gz IVXYWCYLQPELJE-INIZCTEOSA-N 2 1 271.364 2.137 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@](C)(O)C2)cc1 ZINC001138544457 815823130 /nfs/dbraw/zinc/82/31/30/815823130.db2.gz IVXYWCYLQPELJE-INIZCTEOSA-N 2 1 271.364 2.137 20 0 CEADMP Cc1nccn1-c1ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)cc1 ZINC001138542721 815823521 /nfs/dbraw/zinc/82/35/21/815823521.db2.gz GVNNLGIXLPKOGI-ZBFHGGJFSA-N 2 1 289.354 2.085 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)cc1 ZINC001138543770 815823891 /nfs/dbraw/zinc/82/38/91/815823891.db2.gz ULRHXZBCHNAZQN-CVEARBPZSA-N 2 1 289.354 2.085 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)cc1 ZINC001138543770 815823904 /nfs/dbraw/zinc/82/39/04/815823904.db2.gz ULRHXZBCHNAZQN-CVEARBPZSA-N 2 1 289.354 2.085 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1 ZINC001138773165 815891522 /nfs/dbraw/zinc/89/15/22/815891522.db2.gz UFCPMLUCEOFHMO-OSYLJGHBSA-N 2 1 292.398 2.274 20 0 CEADMP COCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC001138772389 815892121 /nfs/dbraw/zinc/89/21/21/815892121.db2.gz JOWIUXIJOIXLMO-UHFFFAOYSA-N 2 1 294.439 2.484 20 0 CEADMP C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC001139052895 815950677 /nfs/dbraw/zinc/95/06/77/815950677.db2.gz PSQYDEWHDIKMHZ-PBHICJAKSA-N 2 1 292.398 2.451 20 0 CEADMP C[C@@H]1C[C@H](F)CN1Cc1cccc(CN2CCOCC2)c1 ZINC001139052895 815950678 /nfs/dbraw/zinc/95/06/78/815950678.db2.gz PSQYDEWHDIKMHZ-PBHICJAKSA-N 2 1 292.398 2.451 20 0 CEADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)C1CCCC1 ZINC001139324442 816002752 /nfs/dbraw/zinc/00/27/52/816002752.db2.gz AFULCZHGIRCWLO-UHFFFAOYSA-N 2 1 294.468 2.269 20 0 CEADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)C1CCCC1 ZINC001139324442 816002761 /nfs/dbraw/zinc/00/27/61/816002761.db2.gz AFULCZHGIRCWLO-UHFFFAOYSA-N 2 1 294.468 2.269 20 0 CEADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC001139467686 816031032 /nfs/dbraw/zinc/03/10/32/816031032.db2.gz LVZNELNUEKTVPC-UHFFFAOYSA-N 2 1 298.390 2.230 20 0 CEADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Cl)ccn1)CC2 ZINC001139565498 816050908 /nfs/dbraw/zinc/05/09/08/816050908.db2.gz BLCDPRDBSAPRQR-UHFFFAOYSA-N 2 1 265.788 2.263 20 0 CEADMP Cc1cc(O)cc(C)c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001139715068 816094140 /nfs/dbraw/zinc/09/41/40/816094140.db2.gz REBUCOJMAADGMZ-OKILXGFUSA-N 2 1 260.381 2.002 20 0 CEADMP CC[N@@H+]1C[C@H]2CN(Cc3c[nH]c4cccc(O)c34)C[C@H]2C1 ZINC001140238239 816215211 /nfs/dbraw/zinc/21/52/11/816215211.db2.gz DGAJSUKQMZEUBB-OKILXGFUSA-N 2 1 285.391 2.257 20 0 CEADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4cccc(O)c34)C[C@@H]2C1 ZINC001140238239 816215217 /nfs/dbraw/zinc/21/52/17/816215217.db2.gz DGAJSUKQMZEUBB-OKILXGFUSA-N 2 1 285.391 2.257 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4cccc(O)c34)C[C@@H]2C1 ZINC001140238239 816215221 /nfs/dbraw/zinc/21/52/21/816215221.db2.gz DGAJSUKQMZEUBB-OKILXGFUSA-N 2 1 285.391 2.257 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4cccc(O)c34)C[C@@H]2C1 ZINC001140238239 816215226 /nfs/dbraw/zinc/21/52/26/816215226.db2.gz DGAJSUKQMZEUBB-OKILXGFUSA-N 2 1 285.391 2.257 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4cccc(O)c34)C[C@@H]2C1 ZINC001140238239 816215231 /nfs/dbraw/zinc/21/52/31/816215231.db2.gz DGAJSUKQMZEUBB-OKILXGFUSA-N 2 1 285.391 2.257 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2ncn(C)c2c1 ZINC001140740519 816337192 /nfs/dbraw/zinc/33/71/92/816337192.db2.gz OYLZREVDSNPLDE-UHFFFAOYSA-N 2 1 274.412 2.347 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2ncn(C)c2c1 ZINC001140740519 816337198 /nfs/dbraw/zinc/33/71/98/816337198.db2.gz OYLZREVDSNPLDE-UHFFFAOYSA-N 2 1 274.412 2.347 20 0 CEADMP c1[nH]c2ccncc2c1C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001140804738 816363119 /nfs/dbraw/zinc/36/31/19/816363119.db2.gz CBLSHFDGVQVEQG-UPUJQMMVSA-N 2 1 269.348 2.172 20 0 CEADMP c1nc2cc[nH]cc-2c1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001140804738 816363126 /nfs/dbraw/zinc/36/31/26/816363126.db2.gz CBLSHFDGVQVEQG-UPUJQMMVSA-N 2 1 269.348 2.172 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001140804738 816363142 /nfs/dbraw/zinc/36/31/42/816363142.db2.gz CBLSHFDGVQVEQG-UPUJQMMVSA-N 2 1 269.348 2.172 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001140804738 816363149 /nfs/dbraw/zinc/36/31/49/816363149.db2.gz CBLSHFDGVQVEQG-UPUJQMMVSA-N 2 1 269.348 2.172 20 0 CEADMP COc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1N ZINC001140898938 816405592 /nfs/dbraw/zinc/40/55/92/816405592.db2.gz DKUZTOWUUYKNHC-UHFFFAOYSA-N 2 1 277.412 2.195 20 0 CEADMP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1N ZINC001140898938 816405598 /nfs/dbraw/zinc/40/55/98/816405598.db2.gz DKUZTOWUUYKNHC-UHFFFAOYSA-N 2 1 277.412 2.195 20 0 CEADMP CCCCc1nc(CN2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)c[nH]1 ZINC001141072665 816468953 /nfs/dbraw/zinc/46/89/53/816468953.db2.gz WOWSWXILYWZVHA-HIFRSBDPSA-N 2 1 276.428 2.278 20 0 CEADMP CCCCc1ncc(CN2CCC[C@@H]3C[N@H+](C)C[C@@H]32)[nH]1 ZINC001141072665 816468961 /nfs/dbraw/zinc/46/89/61/816468961.db2.gz WOWSWXILYWZVHA-HIFRSBDPSA-N 2 1 276.428 2.278 20 0 CEADMP CCCCc1ncc(CN2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)[nH]1 ZINC001141072665 816468964 /nfs/dbraw/zinc/46/89/64/816468964.db2.gz WOWSWXILYWZVHA-HIFRSBDPSA-N 2 1 276.428 2.278 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176760383 816474183 /nfs/dbraw/zinc/47/41/83/816474183.db2.gz WKYWBLYAQJDVMA-CABCVRRESA-N 2 1 283.460 2.145 20 0 CEADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045476 816662646 /nfs/dbraw/zinc/66/26/46/816662646.db2.gz MLWVNFCOOCFNNW-INIZCTEOSA-N 2 1 297.487 2.393 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc2nn(C)cc21 ZINC001142468892 816671748 /nfs/dbraw/zinc/67/17/48/816671748.db2.gz WMBHHZNVDZAODA-UHFFFAOYSA-N 2 1 274.412 2.347 20 0 CEADMP C[C@H]1[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001178361226 816731985 /nfs/dbraw/zinc/73/19/85/816731985.db2.gz VYVGSCVJCXYPPM-KKUMJFAQSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001178902204 816813015 /nfs/dbraw/zinc/81/30/15/816813015.db2.gz FOMMBRVLGDDFPK-DZKIICNBSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409846 816863469 /nfs/dbraw/zinc/86/34/69/816863469.db2.gz RGQGXXVPOOTZAT-VGWMRTNUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000124524266 187141507 /nfs/dbraw/zinc/14/15/07/187141507.db2.gz AFLGXUOKVUSVNE-KRWDZBQOSA-N 2 1 276.424 2.054 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]CCc1cccc(C)c1 ZINC000449080648 282091939 /nfs/dbraw/zinc/09/19/39/282091939.db2.gz XZQUKEXMXRDWNF-UHFFFAOYSA-N 2 1 264.413 2.095 20 0 CEADMP Cc1cccc2ncc(CN(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)n21 ZINC000336396668 365569739 /nfs/dbraw/zinc/56/97/39/365569739.db2.gz OUSQKRAVDHUXCM-XJKSGUPXSA-N 2 1 286.423 2.415 20 0 CEADMP Cc1cccc2ncc(C[N@@H+](C)[C@@H]3CCN(C)C[C@@H]3C)n21 ZINC000336396668 365569744 /nfs/dbraw/zinc/56/97/44/365569744.db2.gz OUSQKRAVDHUXCM-XJKSGUPXSA-N 2 1 286.423 2.415 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000336409651 365571550 /nfs/dbraw/zinc/57/15/50/365571550.db2.gz GJRPJZPTVNPWNG-JSGCOSHPSA-N 2 1 285.391 2.500 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000567624288 299068787 /nfs/dbraw/zinc/06/87/87/299068787.db2.gz LFPQAUCWOZIMHN-RDJZCZTQSA-N 2 1 294.414 2.003 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000567624288 299068790 /nfs/dbraw/zinc/06/87/90/299068790.db2.gz LFPQAUCWOZIMHN-RDJZCZTQSA-N 2 1 294.414 2.003 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000567624288 299068795 /nfs/dbraw/zinc/06/87/95/299068795.db2.gz LFPQAUCWOZIMHN-RDJZCZTQSA-N 2 1 294.414 2.003 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000567624288 299068800 /nfs/dbraw/zinc/06/88/00/299068800.db2.gz LFPQAUCWOZIMHN-RDJZCZTQSA-N 2 1 294.414 2.003 20 0 CEADMP CCc1cc(NC[C@H]2CCC[N@@H+](CC)C2)nc(C)[nH+]1 ZINC000121524672 365579679 /nfs/dbraw/zinc/57/96/79/365579679.db2.gz ZSUYMOQTPZUSDQ-CYBMUJFWSA-N 2 1 262.401 2.491 20 0 CEADMP CCc1cc(NC[C@H]2CCC[N@H+](CC)C2)nc(C)[nH+]1 ZINC000121524672 365579680 /nfs/dbraw/zinc/57/96/80/365579680.db2.gz ZSUYMOQTPZUSDQ-CYBMUJFWSA-N 2 1 262.401 2.491 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000449109982 282103565 /nfs/dbraw/zinc/10/35/65/282103565.db2.gz ZXPAUARORHMKOA-LSDHHAIUSA-N 2 1 297.487 2.247 20 0 CEADMP CCc1cc(OC)ccc1C[NH+]1C[C@@H]2C[NH+](C)C[C@H]2C1 ZINC000337500778 214123995 /nfs/dbraw/zinc/12/39/95/214123995.db2.gz LLNAJYDQIYPLRK-HOTGVXAUSA-N 2 1 274.408 2.251 20 0 CEADMP CC(C)CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000127767299 187331520 /nfs/dbraw/zinc/33/15/20/187331520.db2.gz YMEQHIKLXRTZMF-HOTGVXAUSA-N 2 1 295.471 2.003 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000567639964 299069808 /nfs/dbraw/zinc/06/98/08/299069808.db2.gz NJWNYKKXNQMWQJ-MELADBBJSA-N 2 1 263.385 2.247 20 0 CEADMP CCOc1ccc(OCC[N@H+](C)CCC[NH2+]C)cc1 ZINC000124927934 187161541 /nfs/dbraw/zinc/16/15/41/187161541.db2.gz OQLGZVWAWWGUQH-UHFFFAOYSA-N 2 1 266.385 2.005 20 0 CEADMP CCOc1ccc(OCC[N@@H+](C)CCC[NH2+]C)cc1 ZINC000124927934 187161542 /nfs/dbraw/zinc/16/15/42/187161542.db2.gz OQLGZVWAWWGUQH-UHFFFAOYSA-N 2 1 266.385 2.005 20 0 CEADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000567654301 299071304 /nfs/dbraw/zinc/07/13/04/299071304.db2.gz VHFTXSFRCZOVJF-LSDHHAIUSA-N 2 1 260.381 2.400 20 0 CEADMP Cc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000621262510 349541654 /nfs/dbraw/zinc/54/16/54/349541654.db2.gz DLLPLNNMTZLLAI-UHFFFAOYSA-N 2 1 268.364 2.107 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)CCO1 ZINC000449166496 282128556 /nfs/dbraw/zinc/12/85/56/282128556.db2.gz DEYSOGLPDHNTPN-KBUPBQIOSA-N 2 1 254.418 2.264 20 0 CEADMP CCOC(=O)c1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)[nH]c1C ZINC000449175172 282131039 /nfs/dbraw/zinc/13/10/39/282131039.db2.gz QPXMYFFURRPYJK-YPMHNXCESA-N 2 1 293.411 2.072 20 0 CEADMP CCOC(=O)c1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)[nH]c1C ZINC000449175172 282131042 /nfs/dbraw/zinc/13/10/42/282131042.db2.gz QPXMYFFURRPYJK-YPMHNXCESA-N 2 1 293.411 2.072 20 0 CEADMP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)CC(C)C ZINC000125557728 365679146 /nfs/dbraw/zinc/67/91/46/365679146.db2.gz YMLIZMALANLIHX-SOUVJXGZSA-N 2 1 299.459 2.077 20 0 CEADMP C[N@H+](CCC(=O)OC(C)(C)C)CC[C@H]1CCC[NH+]1C ZINC000125292322 187178476 /nfs/dbraw/zinc/17/84/76/187178476.db2.gz UBYVSLMSWGJTDQ-CYBMUJFWSA-N 2 1 270.417 2.134 20 0 CEADMP C[NH+](CCC(=O)OC(C)(C)C)CC[C@H]1CCC[N@@H+]1C ZINC000125292322 187178477 /nfs/dbraw/zinc/17/84/77/187178477.db2.gz UBYVSLMSWGJTDQ-CYBMUJFWSA-N 2 1 270.417 2.134 20 0 CEADMP C[NH+](CCC(=O)OC(C)(C)C)CC[C@H]1CCC[N@H+]1C ZINC000125292322 187178478 /nfs/dbraw/zinc/17/84/78/187178478.db2.gz UBYVSLMSWGJTDQ-CYBMUJFWSA-N 2 1 270.417 2.134 20 0 CEADMP CCn1nnc(C)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000449218844 282145924 /nfs/dbraw/zinc/14/59/24/282145924.db2.gz LHUSBPBUKPNHFN-UHFFFAOYSA-N 2 1 279.432 2.005 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000037140953 361899098 /nfs/dbraw/zinc/89/90/98/361899098.db2.gz DZDFJGNPFRNFHQ-UHFFFAOYSA-N 2 1 288.391 2.190 20 0 CEADMP [NH3+]CC[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000037712430 361923008 /nfs/dbraw/zinc/92/30/08/361923008.db2.gz SRRANSGDQKHWPE-UHFFFAOYSA-N 2 1 254.377 2.389 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000337952065 214328938 /nfs/dbraw/zinc/32/89/38/214328938.db2.gz VOSRNQOWWYMXAJ-UHFFFAOYSA-N 2 1 298.394 2.031 20 0 CEADMP CCc1cc(N[C@H](C)C[NH+](CC)CC)nc(C)[nH+]1 ZINC000088760343 539029810 /nfs/dbraw/zinc/02/98/10/539029810.db2.gz UMLJXBKTIMAZKW-LLVKDONJSA-N 2 1 250.390 2.490 20 0 CEADMP CCc1cc(NCC(C)(C)C[NH+](C)C)nc(C)[nH+]1 ZINC000088760107 539029761 /nfs/dbraw/zinc/02/97/61/539029761.db2.gz CMKLYKGQYZKLLL-UHFFFAOYSA-N 2 1 250.390 2.347 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000621649507 349649892 /nfs/dbraw/zinc/64/98/92/349649892.db2.gz KDJVNADTYOKZBR-PMPSAXMXSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000354987808 529459361 /nfs/dbraw/zinc/45/93/61/529459361.db2.gz ITXZWSBQTMZPIL-NSHDSACASA-N 2 1 282.350 2.418 20 0 CEADMP CC(C)Cc1ncc(C[N@H+](C)CC2CN(C)C2)s1 ZINC000668539926 539194111 /nfs/dbraw/zinc/19/41/11/539194111.db2.gz QDHNPNDCXLYHPL-UHFFFAOYSA-N 2 1 267.442 2.335 20 0 CEADMP CC(C)Cc1ncc(C[N@@H+](C)CC2CN(C)C2)s1 ZINC000668539926 539194112 /nfs/dbraw/zinc/19/41/12/539194112.db2.gz QDHNPNDCXLYHPL-UHFFFAOYSA-N 2 1 267.442 2.335 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1)C1CCCCC1 ZINC000621784249 349701803 /nfs/dbraw/zinc/70/18/03/349701803.db2.gz LWEBNTUBHYXWKQ-ARFHVFGLSA-N 2 1 266.429 2.395 20 0 CEADMP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000449349656 282196537 /nfs/dbraw/zinc/19/65/37/282196537.db2.gz XLHRNKQVTRQPTB-OFQRWUPVSA-N 2 1 293.455 2.027 20 0 CEADMP CC(C)c1[nH+]ccn1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000305282206 539222458 /nfs/dbraw/zinc/22/24/58/539222458.db2.gz CQCYFKOYNZKWQP-MRXNPFEDSA-N 2 1 287.407 2.499 20 0 CEADMP CC(C)c1[nH+]ccn1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000305282206 539222460 /nfs/dbraw/zinc/22/24/60/539222460.db2.gz CQCYFKOYNZKWQP-MRXNPFEDSA-N 2 1 287.407 2.499 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[C@@H]1C ZINC000449367855 282202743 /nfs/dbraw/zinc/20/27/43/282202743.db2.gz ZHVONPHNWJXHAM-YHUYYLMFSA-N 2 1 295.471 2.225 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000401881271 539255078 /nfs/dbraw/zinc/25/50/78/539255078.db2.gz QLKCXSHJMAEQCG-INIZCTEOSA-N 2 1 271.364 2.335 20 0 CEADMP Cc1cccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1C ZINC000668739933 539255713 /nfs/dbraw/zinc/25/57/13/539255713.db2.gz DBQVCARZAGMWMO-SFHVURJKSA-N 2 1 288.435 2.334 20 0 CEADMP Cc1cccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1C ZINC000668739933 539255715 /nfs/dbraw/zinc/25/57/15/539255715.db2.gz DBQVCARZAGMWMO-SFHVURJKSA-N 2 1 288.435 2.334 20 0 CEADMP COc1ccccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784917 539272069 /nfs/dbraw/zinc/27/20/69/539272069.db2.gz KMTCYSKKCGRELI-MRXNPFEDSA-N 2 1 292.423 2.238 20 0 CEADMP COc1ccccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784917 539272070 /nfs/dbraw/zinc/27/20/70/539272070.db2.gz KMTCYSKKCGRELI-MRXNPFEDSA-N 2 1 292.423 2.238 20 0 CEADMP C[N@@H+](C[C@@H](O)CNCc1ccc(C2CC2)cc1)C1CC1 ZINC000574912437 539277778 /nfs/dbraw/zinc/27/77/78/539277778.db2.gz DNDSKAAOMGBXPV-KRWDZBQOSA-N 2 1 274.408 2.109 20 0 CEADMP CN(C[C@@H](O)C[NH2+]Cc1ccc(C2CC2)cc1)C1CC1 ZINC000574912437 539277780 /nfs/dbraw/zinc/27/77/80/539277780.db2.gz DNDSKAAOMGBXPV-KRWDZBQOSA-N 2 1 274.408 2.109 20 0 CEADMP C[NH+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000041635349 362045247 /nfs/dbraw/zinc/04/52/47/362045247.db2.gz NAQPHKYXXSWTRO-UHFFFAOYSA-N 2 1 258.369 2.118 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC1CCCC1 ZINC000371294298 282223978 /nfs/dbraw/zinc/22/39/78/282223978.db2.gz JUQRZKAWYUUGDM-OWCLPIDISA-N 2 1 266.429 2.360 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000126351371 187234624 /nfs/dbraw/zinc/23/46/24/187234624.db2.gz XXDSOAWQHLKGJH-DOMZBBRYSA-N 2 1 263.385 2.100 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CC(C)(C)CO ZINC000449420724 282228899 /nfs/dbraw/zinc/22/88/99/282228899.db2.gz KDVQWJRLTFOLLV-UHFFFAOYSA-N 2 1 288.395 2.026 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2scnc2C)[C@@H](C)C1 ZINC000449466547 282248029 /nfs/dbraw/zinc/24/80/29/282248029.db2.gz HFTFSXHMKQDYMT-AAEUAGOBSA-N 2 1 267.442 2.314 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCOCC1 ZINC000675880598 539306502 /nfs/dbraw/zinc/30/65/02/539306502.db2.gz GGZYQDUCMUZXCQ-RHSMWYFYSA-N 2 1 296.455 2.035 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC000449507105 282262969 /nfs/dbraw/zinc/26/29/69/282262969.db2.gz DNRJMEFXNZOLEN-CVEARBPZSA-N 2 1 270.461 2.349 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000037826003 343431594 /nfs/dbraw/zinc/43/15/94/343431594.db2.gz DMSMQIWKIMQIKN-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+](CCC[NH3+])CCOc1cccc(Br)c1 ZINC000227747736 539318094 /nfs/dbraw/zinc/31/80/94/539318094.db2.gz PNNIMUYSTBFSIM-UHFFFAOYSA-N 2 1 287.201 2.109 20 0 CEADMP Cc1ccc(N2CCC([NH2+]CC3=CCCOC3)CC2)[nH+]c1 ZINC000127501502 365750714 /nfs/dbraw/zinc/75/07/14/365750714.db2.gz WHHRGMPOFQWCPE-UHFFFAOYSA-N 2 1 287.407 2.295 20 0 CEADMP CC(C)[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000672824612 539321828 /nfs/dbraw/zinc/32/18/28/539321828.db2.gz IGIFXTOBYJFQGA-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+](C[C@@H]1CCC(C)(C)O1)C[C@@H]1CCC[NH+](C)C1 ZINC000336691976 365761488 /nfs/dbraw/zinc/76/14/88/365761488.db2.gz BGVIFIZSQBUTFI-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+](C[C@@H]1CCC(C)(C)O1)C[C@@H]1CCC[N@H+](C)C1 ZINC000336691976 365761496 /nfs/dbraw/zinc/76/14/96/365761496.db2.gz BGVIFIZSQBUTFI-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+](C[C@@H]1CCC(C)(C)O1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336691976 365761502 /nfs/dbraw/zinc/76/15/02/365761502.db2.gz BGVIFIZSQBUTFI-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP C[N@@H+](C[C@@H]1CCC(C)(C)O1)C[C@H]1CCC[NH+](C)C1 ZINC000336691975 365761928 /nfs/dbraw/zinc/76/19/28/365761928.db2.gz BGVIFIZSQBUTFI-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+](C[C@@H]1CCC(C)(C)O1)C[C@H]1CCC[N@H+](C)C1 ZINC000336691975 365761934 /nfs/dbraw/zinc/76/19/34/365761934.db2.gz BGVIFIZSQBUTFI-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+](C[C@@H]1CCC(C)(C)O1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336691975 365761943 /nfs/dbraw/zinc/76/19/43/365761943.db2.gz BGVIFIZSQBUTFI-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP OC1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000336702755 365768087 /nfs/dbraw/zinc/76/80/87/365768087.db2.gz FKDUVECTSZSMHW-AOCRQIFASA-N 2 1 288.435 2.402 20 0 CEADMP Cc1cc(C)cc(OCC[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000228079137 539324835 /nfs/dbraw/zinc/32/48/35/539324835.db2.gz KCWUSRQXXJGTCR-CABCVRRESA-N 2 1 262.397 2.351 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCOCc1ccccc1 ZINC000336706657 365772419 /nfs/dbraw/zinc/77/24/19/365772419.db2.gz IZOKBDLCMJGILJ-GOEBONIOSA-N 2 1 262.397 2.262 20 0 CEADMP Cc1nc(C[NH+]2CCC(C[NH+](C)C)CC2)oc1C ZINC000336711554 365776739 /nfs/dbraw/zinc/77/67/39/365776739.db2.gz NRPSTKKTYGUZCB-UHFFFAOYSA-N 2 1 251.374 2.065 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCn2ccnc2C)C[C@H](C)O1 ZINC000336717414 365779417 /nfs/dbraw/zinc/77/94/17/365779417.db2.gz TVGDSLFFIUVNMQ-GXTWGEPZSA-N 2 1 251.374 2.081 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)C[C@H](C)O1 ZINC000336717414 365779427 /nfs/dbraw/zinc/77/94/27/365779427.db2.gz TVGDSLFFIUVNMQ-GXTWGEPZSA-N 2 1 251.374 2.081 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442922275 529794200 /nfs/dbraw/zinc/79/42/00/529794200.db2.gz KEGXNBUTXAAXJD-CQSZACIVSA-N 2 1 261.413 2.313 20 0 CEADMP CCc1ccc(CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000351489522 219103920 /nfs/dbraw/zinc/10/39/20/219103920.db2.gz HPUAUIXHBOHGOU-BBWFWOEESA-N 2 1 258.409 2.461 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc2c1OCO2 ZINC000069754440 343790947 /nfs/dbraw/zinc/79/09/47/343790947.db2.gz MVORUXBDVVQMGR-UHFFFAOYSA-N 2 1 273.336 2.100 20 0 CEADMP Cn1cc(CCC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cn1 ZINC000075860953 343870192 /nfs/dbraw/zinc/87/01/92/343870192.db2.gz QGSJNIPFROTKCB-INIZCTEOSA-N 2 1 278.444 2.159 20 0 CEADMP Cn1cc(CCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000075860953 343870194 /nfs/dbraw/zinc/87/01/94/343870194.db2.gz QGSJNIPFROTKCB-INIZCTEOSA-N 2 1 278.444 2.159 20 0 CEADMP Cn1cc(CCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000075860953 343870197 /nfs/dbraw/zinc/87/01/97/343870197.db2.gz QGSJNIPFROTKCB-INIZCTEOSA-N 2 1 278.444 2.159 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC(C)C)C[C@H]1C ZINC000336783910 365800364 /nfs/dbraw/zinc/80/03/64/365800364.db2.gz JAJFTBKOQOEVBY-CABCVRRESA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC(C)C)C[C@H]1C ZINC000336783910 365800371 /nfs/dbraw/zinc/80/03/71/365800371.db2.gz JAJFTBKOQOEVBY-CABCVRRESA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC(C)C)C[C@H]1C ZINC000336783910 365800376 /nfs/dbraw/zinc/80/03/76/365800376.db2.gz JAJFTBKOQOEVBY-CABCVRRESA-N 2 1 256.434 2.464 20 0 CEADMP CN(C)c1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000092043426 344175717 /nfs/dbraw/zinc/17/57/17/344175717.db2.gz LKVBUDSFMULJQJ-JSGCOSHPSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000092043426 344175718 /nfs/dbraw/zinc/17/57/18/344175718.db2.gz LKVBUDSFMULJQJ-JSGCOSHPSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000092043426 344175719 /nfs/dbraw/zinc/17/57/19/344175719.db2.gz LKVBUDSFMULJQJ-JSGCOSHPSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000092043426 344175720 /nfs/dbraw/zinc/17/57/20/344175720.db2.gz LKVBUDSFMULJQJ-JSGCOSHPSA-N 2 1 294.468 2.125 20 0 CEADMP COCC[NH+]1CCC([NH2+]C2CCC(C)CC2)CC1 ZINC000089555126 344124506 /nfs/dbraw/zinc/12/45/06/344124506.db2.gz CGWJLGWKJUVMBT-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)Oc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107578082 344261087 /nfs/dbraw/zinc/26/10/87/344261087.db2.gz LBSDREHIHDLFRB-GJZGRUSLSA-N 2 1 260.381 2.125 20 0 CEADMP Cc1cccc(C)c1[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351591972 219136909 /nfs/dbraw/zinc/13/69/09/219136909.db2.gz IFXMQNPJNSINSI-GOEBONIOSA-N 2 1 276.424 2.409 20 0 CEADMP Cc1cccc(C)c1[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351591972 219136912 /nfs/dbraw/zinc/13/69/12/219136912.db2.gz IFXMQNPJNSINSI-GOEBONIOSA-N 2 1 276.424 2.409 20 0 CEADMP C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC[C@@H]1CCCO1 ZINC000152585369 344426352 /nfs/dbraw/zinc/42/63/52/344426352.db2.gz GUBNLSWQZNTHPM-SJORKVTESA-N 2 1 296.455 2.132 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC[C@@H]1CCCO1 ZINC000152585369 344426354 /nfs/dbraw/zinc/42/63/54/344426354.db2.gz GUBNLSWQZNTHPM-SJORKVTESA-N 2 1 296.455 2.132 20 0 CEADMP COC(=O)c1cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[nH]c1C ZINC000602474997 347048713 /nfs/dbraw/zinc/04/87/13/347048713.db2.gz KJLBUIALCKVWGX-FZMZJTMJSA-N 2 1 293.411 2.024 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OC ZINC000156211673 344441815 /nfs/dbraw/zinc/44/18/15/344441815.db2.gz BRRDIZGPWUANSE-GXTWGEPZSA-N 2 1 278.396 2.324 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OC ZINC000156211673 344441818 /nfs/dbraw/zinc/44/18/18/344441818.db2.gz BRRDIZGPWUANSE-GXTWGEPZSA-N 2 1 278.396 2.324 20 0 CEADMP COc1cc2c(cc1C[N@H+](C)CC(C)(C)C[NH3+])O[C@H](C)C2 ZINC000159095685 344453323 /nfs/dbraw/zinc/45/33/23/344453323.db2.gz RLJRPUXKLQFPMK-GFCCVEGCSA-N 2 1 292.423 2.435 20 0 CEADMP COc1cc2c(cc1C[N@@H+](C)CC(C)(C)C[NH3+])O[C@H](C)C2 ZINC000159095685 344453324 /nfs/dbraw/zinc/45/33/24/344453324.db2.gz RLJRPUXKLQFPMK-GFCCVEGCSA-N 2 1 292.423 2.435 20 0 CEADMP CCCNC(=O)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351597275 219139726 /nfs/dbraw/zinc/13/97/26/219139726.db2.gz KHFKQOCPXXQOLW-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000196205873 344524157 /nfs/dbraw/zinc/52/41/57/344524157.db2.gz AQYMLTXWHLVPMF-UHFFFAOYSA-N 2 1 284.407 2.404 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1)O[C@@H](C)C2 ZINC000227876452 344556933 /nfs/dbraw/zinc/55/69/33/344556933.db2.gz DGIZNXAFPNGUDH-STQMWFEESA-N 2 1 290.407 2.189 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CCC[C@@H](C[NH3+])C1)O[C@@H](C)C2 ZINC000227876452 344556934 /nfs/dbraw/zinc/55/69/34/344556934.db2.gz DGIZNXAFPNGUDH-STQMWFEESA-N 2 1 290.407 2.189 20 0 CEADMP CC1CCC(O)(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000227913377 344557575 /nfs/dbraw/zinc/55/75/75/344557575.db2.gz ZLVWNKCMDVKCPV-FYRZTWFESA-N 2 1 266.429 2.144 20 0 CEADMP CC1CCC(O)(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000227913377 344557576 /nfs/dbraw/zinc/55/75/76/344557576.db2.gz ZLVWNKCMDVKCPV-FYRZTWFESA-N 2 1 266.429 2.144 20 0 CEADMP CCc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000310303344 344730292 /nfs/dbraw/zinc/73/02/92/344730292.db2.gz UXGFEAWMGDELBF-VXGBXAGGSA-N 2 1 250.411 2.352 20 0 CEADMP C[NH2+][C@@H](C)Cc1noc([C@@H]([NH3+])CC2CCCCC2)n1 ZINC000414490538 530041682 /nfs/dbraw/zinc/04/16/82/530041682.db2.gz OKNPLSKOJYWAKK-JQWIXIFHSA-N 2 1 266.389 2.190 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000449778276 282364167 /nfs/dbraw/zinc/36/41/67/282364167.db2.gz BGHOUZRHGCQNQF-HUUCEWRRSA-N 2 1 265.445 2.077 20 0 CEADMP CC1(C)CCC[NH+]1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449778276 282364169 /nfs/dbraw/zinc/36/41/69/282364169.db2.gz BGHOUZRHGCQNQF-HUUCEWRRSA-N 2 1 265.445 2.077 20 0 CEADMP CC1(C)CCC[NH+]1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449778276 282364170 /nfs/dbraw/zinc/36/41/70/282364170.db2.gz BGHOUZRHGCQNQF-HUUCEWRRSA-N 2 1 265.445 2.077 20 0 CEADMP CC(C)OC1CC([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000449784138 282366630 /nfs/dbraw/zinc/36/66/30/282366630.db2.gz VJZRUZPJDKQDAE-UHFFFAOYSA-N 2 1 254.418 2.406 20 0 CEADMP CC(C)OC1CC([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000449784138 282366633 /nfs/dbraw/zinc/36/66/33/282366633.db2.gz VJZRUZPJDKQDAE-UHFFFAOYSA-N 2 1 254.418 2.406 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000568051327 299113593 /nfs/dbraw/zinc/11/35/93/299113593.db2.gz CRGCPDDFUAIERE-QGZVFWFLSA-N 2 1 276.424 2.449 20 0 CEADMP COc1ccc(C)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000401710894 344869951 /nfs/dbraw/zinc/86/99/51/344869951.db2.gz DPPYHVCIHZCCHI-UHFFFAOYSA-N 2 1 259.353 2.069 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000404379864 344879900 /nfs/dbraw/zinc/87/99/00/344879900.db2.gz LVTXUFGTOCOQIN-BBRMVZONSA-N 2 1 290.407 2.423 20 0 CEADMP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550681394 539416015 /nfs/dbraw/zinc/41/60/15/539416015.db2.gz ZARUBWCWTXVABP-GVDBMIGSSA-N 2 1 276.424 2.428 20 0 CEADMP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550681394 539416023 /nfs/dbraw/zinc/41/60/23/539416023.db2.gz ZARUBWCWTXVABP-GVDBMIGSSA-N 2 1 276.424 2.428 20 0 CEADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000584718922 344979733 /nfs/dbraw/zinc/97/97/33/344979733.db2.gz BBOHEYDNVFMBJX-CABCVRRESA-N 2 1 283.460 2.081 20 0 CEADMP Cc1cnc2cc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)ccn12 ZINC000584848429 344994041 /nfs/dbraw/zinc/99/40/41/344994041.db2.gz REVJTTZQDAFQCQ-GFCCVEGCSA-N 2 1 288.395 2.101 20 0 CEADMP C[N@@H+](CC1CCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372366455 282392123 /nfs/dbraw/zinc/39/21/23/282392123.db2.gz BCNXLNCQFIBVQG-KRWDZBQOSA-N 2 1 279.472 2.277 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000591578395 345266136 /nfs/dbraw/zinc/26/61/36/345266136.db2.gz YVQYVGNYJZADNR-CMPLNLGQSA-N 2 1 282.409 2.327 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591866856 345289859 /nfs/dbraw/zinc/28/98/59/345289859.db2.gz HXANJVBTWJBHTC-OAHLLOKOSA-N 2 1 292.427 2.169 20 0 CEADMP CCCN(CCC)C(=O)CN1CCC[C@@H](n2ccnc2)C1 ZINC000591866856 345289862 /nfs/dbraw/zinc/28/98/62/345289862.db2.gz HXANJVBTWJBHTC-OAHLLOKOSA-N 2 1 292.427 2.169 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591866831 345289900 /nfs/dbraw/zinc/28/99/00/345289900.db2.gz GYBYZWODPRCUQX-LSDHHAIUSA-N 2 1 292.427 2.215 20 0 CEADMP CCCCCNC(=O)[C@H](C)N1CCC[C@@H](n2ccnc2)C1 ZINC000591866831 345289902 /nfs/dbraw/zinc/28/99/02/345289902.db2.gz GYBYZWODPRCUQX-LSDHHAIUSA-N 2 1 292.427 2.215 20 0 CEADMP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000592495553 345360419 /nfs/dbraw/zinc/36/04/19/345360419.db2.gz LTAQWVOEOJMNII-KBMXLJTQSA-N 2 1 294.439 2.040 20 0 CEADMP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000592495553 345360420 /nfs/dbraw/zinc/36/04/20/345360420.db2.gz LTAQWVOEOJMNII-KBMXLJTQSA-N 2 1 294.439 2.040 20 0 CEADMP Oc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093598009 232184436 /nfs/dbraw/zinc/18/44/36/232184436.db2.gz WIXJPAMZLNOPHE-HNNXBMFYSA-N 2 1 260.381 2.310 20 0 CEADMP Oc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093598009 232184440 /nfs/dbraw/zinc/18/44/40/232184440.db2.gz WIXJPAMZLNOPHE-HNNXBMFYSA-N 2 1 260.381 2.310 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc2occc2c1 ZINC000623085807 349933783 /nfs/dbraw/zinc/93/37/83/349933783.db2.gz GHEKUOFZBQMPHS-UHFFFAOYSA-N 2 1 255.321 2.499 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000568180998 299121925 /nfs/dbraw/zinc/12/19/25/299121925.db2.gz IHMOUHMGNRVWTB-HOCLYGCPSA-N 2 1 277.412 2.244 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000568180998 299121927 /nfs/dbraw/zinc/12/19/27/299121927.db2.gz IHMOUHMGNRVWTB-HOCLYGCPSA-N 2 1 277.412 2.244 20 0 CEADMP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000594915733 345700657 /nfs/dbraw/zinc/70/06/57/345700657.db2.gz BSHQQVXNEMROKX-MELADBBJSA-N 2 1 282.428 2.038 20 0 CEADMP C[C@H](CSCCF)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000595004245 345724469 /nfs/dbraw/zinc/72/44/69/345724469.db2.gz QLFPRGXJLVYTQP-LLVKDONJSA-N 2 1 260.422 2.294 20 0 CEADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000595008244 345725100 /nfs/dbraw/zinc/72/51/00/345725100.db2.gz STVCASGSHUTWAE-ZIAGYGMSSA-N 2 1 296.455 2.428 20 0 CEADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000595026480 345730247 /nfs/dbraw/zinc/73/02/47/345730247.db2.gz OGBLCIJMMUBTDL-MJBXVCDLSA-N 2 1 284.444 2.427 20 0 CEADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000595026480 345730248 /nfs/dbraw/zinc/73/02/48/345730248.db2.gz OGBLCIJMMUBTDL-MJBXVCDLSA-N 2 1 284.444 2.427 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CC(C)(C)C)C1 ZINC000307849822 539490380 /nfs/dbraw/zinc/49/03/80/539490380.db2.gz ZWLRKJNYOONIFM-LSDHHAIUSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000307849822 539490383 /nfs/dbraw/zinc/49/03/83/539490383.db2.gz ZWLRKJNYOONIFM-LSDHHAIUSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000307849822 539490384 /nfs/dbraw/zinc/49/03/84/539490384.db2.gz ZWLRKJNYOONIFM-LSDHHAIUSA-N 2 1 270.461 2.446 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000178704951 232377719 /nfs/dbraw/zinc/37/77/19/232377719.db2.gz QYHNSPFFFSMVNY-IPYPFGDCSA-N 2 1 276.428 2.042 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)C1CC1 ZINC000336787441 365807636 /nfs/dbraw/zinc/80/76/36/365807636.db2.gz DZLRZQWGRWJCPQ-ZDUSSCGKSA-N 2 1 256.434 2.246 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)C1CC1 ZINC000336787441 365807641 /nfs/dbraw/zinc/80/76/41/365807641.db2.gz DZLRZQWGRWJCPQ-ZDUSSCGKSA-N 2 1 256.434 2.246 20 0 CEADMP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccn1 ZINC000062057755 362703532 /nfs/dbraw/zinc/70/35/32/362703532.db2.gz ZPDWJDQFWWWARH-UHFFFAOYSA-N 2 1 263.385 2.053 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000599036891 346450349 /nfs/dbraw/zinc/45/03/49/346450349.db2.gz YPJYZDBYNPWGEX-XSCHDIRWSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000599036891 346450350 /nfs/dbraw/zinc/45/03/50/346450350.db2.gz YPJYZDBYNPWGEX-XSCHDIRWSA-N 2 1 282.428 2.181 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCC2CCOCC2)CC1 ZINC000336796045 365819361 /nfs/dbraw/zinc/81/93/61/365819361.db2.gz OYVYBRIIUSCMPG-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCC2CCOCC2)CC1 ZINC000336796045 365819371 /nfs/dbraw/zinc/81/93/71/365819371.db2.gz OYVYBRIIUSCMPG-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000063165917 362753234 /nfs/dbraw/zinc/75/32/34/362753234.db2.gz YVZLSCAMBJHOEU-UHFFFAOYSA-N 2 1 292.408 2.230 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)[N@H+](CC[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000599694506 346570582 /nfs/dbraw/zinc/57/05/82/346570582.db2.gz IDIODIQUKKQZQE-XGUBFFRZSA-N 2 1 282.428 2.133 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000599694506 346570583 /nfs/dbraw/zinc/57/05/83/346570583.db2.gz IDIODIQUKKQZQE-XGUBFFRZSA-N 2 1 282.428 2.133 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000599694506 346570585 /nfs/dbraw/zinc/57/05/85/346570585.db2.gz IDIODIQUKKQZQE-XGUBFFRZSA-N 2 1 282.428 2.133 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC(F)(F)F)C[C@@H]1C ZINC000336799852 365828445 /nfs/dbraw/zinc/82/84/45/365828445.db2.gz KFKKYBJRHKHRHD-RYUDHWBXSA-N 2 1 282.350 2.370 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC(F)(F)F)C[C@@H]1C ZINC000336799852 365828453 /nfs/dbraw/zinc/82/84/53/365828453.db2.gz KFKKYBJRHKHRHD-RYUDHWBXSA-N 2 1 282.350 2.370 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC(F)(F)F)C[C@@H]1C ZINC000336799852 365828461 /nfs/dbraw/zinc/82/84/61/365828461.db2.gz KFKKYBJRHKHRHD-RYUDHWBXSA-N 2 1 282.350 2.370 20 0 CEADMP CCc1nocc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000339241400 215036031 /nfs/dbraw/zinc/03/60/31/215036031.db2.gz RTHLKSMMQFQFOQ-NSHDSACASA-N 2 1 262.357 2.168 20 0 CEADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000600949032 346714259 /nfs/dbraw/zinc/71/42/59/346714259.db2.gz JFYSXFHAGAAXLC-HNNXBMFYSA-N 2 1 275.396 2.171 20 0 CEADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000600949032 346714262 /nfs/dbraw/zinc/71/42/62/346714262.db2.gz JFYSXFHAGAAXLC-HNNXBMFYSA-N 2 1 275.396 2.171 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCC1CC[NH2+]CC1 ZINC000236910127 370652049 /nfs/dbraw/zinc/65/20/49/370652049.db2.gz KNIPVVPBLMCOSG-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(OC)cc3C2)C1 ZINC000129502638 365865255 /nfs/dbraw/zinc/86/52/55/365865255.db2.gz OCIZZMHUHFZTBW-WMLDXEAASA-N 2 1 288.435 2.484 20 0 CEADMP CN(CC[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000085797452 179172769 /nfs/dbraw/zinc/17/27/69/179172769.db2.gz GPSYYDHEPGHCKR-OAHLLOKOSA-N 2 1 261.413 2.006 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)CC[N@H+]1C ZINC000129555688 365871675 /nfs/dbraw/zinc/87/16/75/365871675.db2.gz AIWMDKDRDKMWRX-WBVHZDCISA-N 2 1 298.434 2.487 20 0 CEADMP Cc1oncc1C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000129556311 365872172 /nfs/dbraw/zinc/87/21/72/365872172.db2.gz JUIJUBSFMMISMO-ZDUSSCGKSA-N 2 1 274.368 2.171 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)C[NH3+])cc1)C(C)C ZINC000236923481 370656624 /nfs/dbraw/zinc/65/66/24/370656624.db2.gz JRDXRBXQMLOXHL-AWEZNQCLSA-N 2 1 291.439 2.242 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000568320946 299138200 /nfs/dbraw/zinc/13/82/00/299138200.db2.gz SEPAXRLLCMFFFR-OAHLLOKOSA-N 2 1 270.461 2.446 20 0 CEADMP Cc1ncc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000339287195 215067233 /nfs/dbraw/zinc/06/72/33/215067233.db2.gz PHBKFESELPIFRH-AWEZNQCLSA-N 2 1 276.428 2.387 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC2CCOCC2)C1 ZINC000336830489 365893308 /nfs/dbraw/zinc/89/33/08/365893308.db2.gz GLIIBBVOZIEHFC-QGZVFWFLSA-N 2 1 280.456 2.467 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC000336830489 365893313 /nfs/dbraw/zinc/89/33/13/365893313.db2.gz GLIIBBVOZIEHFC-QGZVFWFLSA-N 2 1 280.456 2.467 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC000336830489 365893320 /nfs/dbraw/zinc/89/33/20/365893320.db2.gz GLIIBBVOZIEHFC-QGZVFWFLSA-N 2 1 280.456 2.467 20 0 CEADMP C[C@H]1C[C@H](NCC2([NH+](C)C)CCCCC2)CC[N@H+]1C ZINC000129685247 365886411 /nfs/dbraw/zinc/88/64/11/365886411.db2.gz ORTGYUXYFSLOLB-LSDHHAIUSA-N 3 1 267.461 2.323 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CC(C)(C)C1 ZINC000608056221 347557985 /nfs/dbraw/zinc/55/79/85/347557985.db2.gz GVQUXWSTXXSLIS-UKRRQHHQSA-N 2 1 268.445 2.248 20 0 CEADMP O[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000568518502 299142463 /nfs/dbraw/zinc/14/24/63/299142463.db2.gz FDFSKMZMTWSPDE-IXDOHACOSA-N 2 1 280.456 2.345 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000459556159 290177734 /nfs/dbraw/zinc/17/77/34/290177734.db2.gz JRLYAPNCJRNTBQ-AWEZNQCLSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000351856230 219228693 /nfs/dbraw/zinc/22/86/93/219228693.db2.gz UTVRRQUFIAUTAJ-PWSUYJOCSA-N 2 1 270.323 2.457 20 0 CEADMP C[C@H]1C[C@@H](Nc2cc(CSCCO)ccn2)CC[N@H+]1C ZINC000611477214 347783482 /nfs/dbraw/zinc/78/34/82/347783482.db2.gz HDTZNWBDLBWMAL-JSGCOSHPSA-N 2 1 295.452 2.202 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000130096603 365923762 /nfs/dbraw/zinc/92/37/62/365923762.db2.gz WONWIJBRMHIPSW-HOCLYGCPSA-N 2 1 288.439 2.123 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000130096603 365923770 /nfs/dbraw/zinc/92/37/70/365923770.db2.gz WONWIJBRMHIPSW-HOCLYGCPSA-N 2 1 288.439 2.123 20 0 CEADMP COc1cccc([C@@H]2C[N@@H+](CCC[NH3+])CC2(C)C)c1 ZINC000530232004 313286826 /nfs/dbraw/zinc/28/68/26/313286826.db2.gz UBWFKMNGAQKOMX-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000351867347 219232194 /nfs/dbraw/zinc/23/21/94/219232194.db2.gz XPUFDMBVOJLRPP-KKUMJFAQSA-N 2 1 289.423 2.097 20 0 CEADMP CCN(C(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000351867347 219232196 /nfs/dbraw/zinc/23/21/96/219232196.db2.gz XPUFDMBVOJLRPP-KKUMJFAQSA-N 2 1 289.423 2.097 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000130301105 365941605 /nfs/dbraw/zinc/94/16/05/365941605.db2.gz FHJIDVFCMMIKQO-JFIYKMOQSA-N 2 1 291.483 2.419 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000130301105 365941607 /nfs/dbraw/zinc/94/16/07/365941607.db2.gz FHJIDVFCMMIKQO-JFIYKMOQSA-N 2 1 291.483 2.419 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000130301105 365941609 /nfs/dbraw/zinc/94/16/09/365941609.db2.gz FHJIDVFCMMIKQO-JFIYKMOQSA-N 2 1 291.483 2.419 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000130344463 365946971 /nfs/dbraw/zinc/94/69/71/365946971.db2.gz VUXWLPSUECGSGZ-ABAIWWIYSA-N 2 1 268.351 2.437 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccncc2F)CC1 ZINC000334627116 539598367 /nfs/dbraw/zinc/59/83/67/539598367.db2.gz HWOIYLVABDRLBZ-UHFFFAOYSA-N 2 1 263.360 2.281 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccncc2F)CC1 ZINC000334627116 539598371 /nfs/dbraw/zinc/59/83/71/539598371.db2.gz HWOIYLVABDRLBZ-UHFFFAOYSA-N 2 1 263.360 2.281 20 0 CEADMP OC1(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000568620539 299150381 /nfs/dbraw/zinc/15/03/81/299150381.db2.gz GFGBMRUAGQJNKV-QGZVFWFLSA-N 2 1 288.435 2.056 20 0 CEADMP [NH3+]CCC[N@@H+](CC[C@H]1CCOC1)Cc1ccccc1 ZINC000339405472 215149347 /nfs/dbraw/zinc/14/93/47/215149347.db2.gz AJUMDSRVQOMKRM-INIZCTEOSA-N 2 1 262.397 2.264 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000614335129 348182594 /nfs/dbraw/zinc/18/25/94/348182594.db2.gz MAZCBNHOBGEKJC-QKPAOTATSA-N 2 1 295.471 2.190 20 0 CEADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000614335129 348182597 /nfs/dbraw/zinc/18/25/97/348182597.db2.gz MAZCBNHOBGEKJC-QKPAOTATSA-N 2 1 295.471 2.190 20 0 CEADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000614335129 348182600 /nfs/dbraw/zinc/18/26/00/348182600.db2.gz MAZCBNHOBGEKJC-QKPAOTATSA-N 2 1 295.471 2.190 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+]2CCNC[C@@H]2c2cccc(F)c2)CC[NH2+]1 ZINC000414729415 297252136 /nfs/dbraw/zinc/25/21/36/297252136.db2.gz DQFOTAZDCMRFOI-JKIFEVAISA-N 2 1 291.414 2.160 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCNC[C@@H]2c2cccc(F)c2)CC[NH2+]1 ZINC000414729415 297252139 /nfs/dbraw/zinc/25/21/39/297252139.db2.gz DQFOTAZDCMRFOI-JKIFEVAISA-N 2 1 291.414 2.160 20 0 CEADMP FC(F)COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357055462 233000402 /nfs/dbraw/zinc/00/04/02/233000402.db2.gz ROPMDWHRSQJOOO-KGLIPLIRSA-N 2 1 296.361 2.372 20 0 CEADMP FC(F)COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357055462 233000403 /nfs/dbraw/zinc/00/04/03/233000403.db2.gz ROPMDWHRSQJOOO-KGLIPLIRSA-N 2 1 296.361 2.372 20 0 CEADMP CCc1noc([C@@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000357094729 233005618 /nfs/dbraw/zinc/00/56/18/233005618.db2.gz ZZVCNKRPOFILTD-DGCLKSJQSA-N 2 1 278.400 2.015 20 0 CEADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3([NH+](C)C)CC3)ccc21 ZINC000615870028 348404104 /nfs/dbraw/zinc/40/41/04/348404104.db2.gz CKJTYMKEXKPYHB-OAHLLOKOSA-N 2 1 287.407 2.268 20 0 CEADMP CC(C)[NH+]1CCC(N[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623342173 349992417 /nfs/dbraw/zinc/99/24/17/349992417.db2.gz KGQBHTXPSDPPLR-HNNXBMFYSA-N 3 1 267.461 2.322 20 0 CEADMP c1[nH]nc2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c12 ZINC000623344956 349994141 /nfs/dbraw/zinc/99/41/41/349994141.db2.gz KJAFPEDTIZVGJQ-UHFFFAOYSA-N 2 1 270.380 2.279 20 0 CEADMP Cc1n[nH]cc1CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623353562 349996159 /nfs/dbraw/zinc/99/61/59/349996159.db2.gz PXLFAIQHQDPEGW-CQSZACIVSA-N 2 1 264.417 2.113 20 0 CEADMP Cc1cc(NC(=O)C2([NH+](C)C)CC2)ccc1C[NH+](C)C ZINC000616242738 348466734 /nfs/dbraw/zinc/46/67/34/348466734.db2.gz WTQSODRJOSCMSC-UHFFFAOYSA-N 2 1 275.396 2.089 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623356326 349997911 /nfs/dbraw/zinc/99/79/11/349997911.db2.gz JDODUGQPFIZLPV-TZMCWYRMSA-N 2 1 276.428 2.260 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623356326 349997912 /nfs/dbraw/zinc/99/79/12/349997912.db2.gz JDODUGQPFIZLPV-TZMCWYRMSA-N 2 1 276.428 2.260 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000616994040 348602515 /nfs/dbraw/zinc/60/25/15/348602515.db2.gz TWIDPQZYOLYVMO-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616994040 348602519 /nfs/dbraw/zinc/60/25/19/348602519.db2.gz TWIDPQZYOLYVMO-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616994040 348602521 /nfs/dbraw/zinc/60/25/21/348602521.db2.gz TWIDPQZYOLYVMO-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCC[C@H]2C)C1 ZINC000457100560 539657396 /nfs/dbraw/zinc/65/73/96/539657396.db2.gz WTJIIMJIKBHXSK-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+]2CCCC[C@H]2C)C1 ZINC000457100560 539657401 /nfs/dbraw/zinc/65/74/01/539657401.db2.gz WTJIIMJIKBHXSK-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)CC[N@H+]2CCCC[C@H]2C)C1 ZINC000457100560 539657405 /nfs/dbraw/zinc/65/74/05/539657405.db2.gz WTJIIMJIKBHXSK-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507579 348718525 /nfs/dbraw/zinc/71/85/25/348718525.db2.gz AXYIIYQDNLLEHF-ARFHVFGLSA-N 2 1 297.487 2.201 20 0 CEADMP CC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507579 348718529 /nfs/dbraw/zinc/71/85/29/348718529.db2.gz AXYIIYQDNLLEHF-ARFHVFGLSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CCC[C@@H]1C ZINC000617507266 348718990 /nfs/dbraw/zinc/71/89/90/348718990.db2.gz OUPCWWGQCSORPM-HRCADAONSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CCC[C@@H]1C ZINC000617507266 348718991 /nfs/dbraw/zinc/71/89/91/348718991.db2.gz OUPCWWGQCSORPM-HRCADAONSA-N 2 1 297.487 2.201 20 0 CEADMP CCOC1CC(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000352015096 219289701 /nfs/dbraw/zinc/28/97/01/219289701.db2.gz PDSHKLWKCLVYCC-JLVJUDLZSA-N 2 1 254.418 2.216 20 0 CEADMP CCOC1CC(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000352015096 219289703 /nfs/dbraw/zinc/28/97/03/219289703.db2.gz PDSHKLWKCLVYCC-JLVJUDLZSA-N 2 1 254.418 2.216 20 0 CEADMP CCOC1CC(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000352015096 219289704 /nfs/dbraw/zinc/28/97/04/219289704.db2.gz PDSHKLWKCLVYCC-JLVJUDLZSA-N 2 1 254.418 2.216 20 0 CEADMP CCOC1CC(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000352015096 219289706 /nfs/dbraw/zinc/28/97/06/219289706.db2.gz PDSHKLWKCLVYCC-JLVJUDLZSA-N 2 1 254.418 2.216 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000619509186 349190151 /nfs/dbraw/zinc/19/01/51/349190151.db2.gz YLXJMIIFLPIUMS-IUODEOHRSA-N 2 1 276.380 2.046 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000619509186 349190155 /nfs/dbraw/zinc/19/01/55/349190155.db2.gz YLXJMIIFLPIUMS-IUODEOHRSA-N 2 1 276.380 2.046 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000619509188 349190343 /nfs/dbraw/zinc/19/03/43/349190343.db2.gz YLXJMIIFLPIUMS-WFASDCNBSA-N 2 1 276.380 2.046 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000619509188 349190345 /nfs/dbraw/zinc/19/03/45/349190345.db2.gz YLXJMIIFLPIUMS-WFASDCNBSA-N 2 1 276.380 2.046 20 0 CEADMP O[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411234940 233232238 /nfs/dbraw/zinc/23/22/38/233232238.db2.gz GKFKXZKQNZZIMO-QGZVFWFLSA-N 2 1 274.408 2.239 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1O ZINC000411434446 233247252 /nfs/dbraw/zinc/24/72/52/233247252.db2.gz BWKJPSRIPFVLIJ-MAUKXSAKSA-N 2 1 288.435 2.485 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000234907656 539743979 /nfs/dbraw/zinc/74/39/79/539743979.db2.gz ZMYMDHVBYYLUKF-DZGCQCFKSA-N 2 1 262.397 2.358 20 0 CEADMP c1[nH]nc2cccc(CN[C@@H]3CC[N@@H+](CC4CC4)C3)c12 ZINC000623410437 350012203 /nfs/dbraw/zinc/01/22/03/350012203.db2.gz OLQQIQLLHLUOSZ-CQSZACIVSA-N 2 1 270.380 2.137 20 0 CEADMP COc1cc(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)ccc1O ZINC000623420012 350015874 /nfs/dbraw/zinc/01/58/74/350015874.db2.gz JGJXRICWZROYRH-AWEZNQCLSA-N 2 1 292.423 2.406 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)CCc2ccccc2)CC1(C)C ZINC000623490570 350033180 /nfs/dbraw/zinc/03/31/80/350033180.db2.gz OTZDRZXAHYDTJH-DLBZAZTESA-N 2 1 290.451 2.443 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1(C)C ZINC000623471986 350028120 /nfs/dbraw/zinc/02/81/20/350028120.db2.gz AFMLECMJMHOHHC-GBJTYRQASA-N 2 1 278.440 2.406 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)CC1(C)C ZINC000623478185 350029755 /nfs/dbraw/zinc/02/97/55/350029755.db2.gz CLIQQHUCDBMYFB-CVEARBPZSA-N 2 1 294.414 2.192 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623657124 350075738 /nfs/dbraw/zinc/07/57/38/350075738.db2.gz KCOROSNKMTYNIP-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000623657462 350076850 /nfs/dbraw/zinc/07/68/50/350076850.db2.gz RFFQVGOORWXBBD-ZDUSSCGKSA-N 2 1 288.395 2.491 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000623657462 350076855 /nfs/dbraw/zinc/07/68/55/350076855.db2.gz RFFQVGOORWXBBD-ZDUSSCGKSA-N 2 1 288.395 2.491 20 0 CEADMP Cc1cccc(C[C@@H](CO)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623504343 350036442 /nfs/dbraw/zinc/03/64/42/350036442.db2.gz KGPREZIEUOYGSC-SJORKVTESA-N 2 1 290.451 2.361 20 0 CEADMP C[N@H+]1CC[C@@H](NC[C@@H]2CCCC[NH+]2C2CC2)CC1(C)C ZINC000623508137 350037366 /nfs/dbraw/zinc/03/73/66/350037366.db2.gz KPZIWRBFTQQTOK-ZBFHGGJFSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1(C)C ZINC000623508137 350037368 /nfs/dbraw/zinc/03/73/68/350037368.db2.gz KPZIWRBFTQQTOK-ZBFHGGJFSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@@H]2CCCC[N@H+]2C2CC2)CC1(C)C ZINC000623508137 350037371 /nfs/dbraw/zinc/03/73/71/350037371.db2.gz KPZIWRBFTQQTOK-ZBFHGGJFSA-N 2 1 279.472 2.466 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCCN2C2CC2)CC1(C)C ZINC000623508137 350037373 /nfs/dbraw/zinc/03/73/73/350037373.db2.gz KPZIWRBFTQQTOK-ZBFHGGJFSA-N 2 1 279.472 2.466 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCCN2C2CC2)CC1(C)C ZINC000623508137 350037377 /nfs/dbraw/zinc/03/73/77/350037377.db2.gz KPZIWRBFTQQTOK-ZBFHGGJFSA-N 2 1 279.472 2.466 20 0 CEADMP COC1CC(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623562575 350051324 /nfs/dbraw/zinc/05/13/24/350051324.db2.gz WAVNZLISVCRIGB-ROKHWSDSSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)CC[N@H+]1C ZINC000090721826 180032336 /nfs/dbraw/zinc/03/23/36/180032336.db2.gz LILCMNVDZVHDKZ-SWLSCSKDSA-N 2 1 285.395 2.044 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411921295 233300600 /nfs/dbraw/zinc/30/06/00/233300600.db2.gz DJFXVJOWPSJSNQ-IRXDYDNUSA-N 2 1 285.391 2.390 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411921295 233300602 /nfs/dbraw/zinc/30/06/02/233300602.db2.gz DJFXVJOWPSJSNQ-IRXDYDNUSA-N 2 1 285.391 2.390 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2CC(F)F)[C@H](C)C1 ZINC000624094418 350192104 /nfs/dbraw/zinc/19/21/04/350192104.db2.gz DRCFWWNCZDCGOS-MCIONIFRSA-N 2 1 289.414 2.036 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+](C)C2)[C@@H](C)C1 ZINC000624120597 350198665 /nfs/dbraw/zinc/19/86/65/350198665.db2.gz CEFGODQWXONWJJ-JYJNAYRXSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+](C)C2)[C@@H](C)C1 ZINC000624120597 350198669 /nfs/dbraw/zinc/19/86/69/350198669.db2.gz CEFGODQWXONWJJ-JYJNAYRXSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000624120597 350198674 /nfs/dbraw/zinc/19/86/74/350198674.db2.gz CEFGODQWXONWJJ-JYJNAYRXSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](C)C2)[C@@H](C)C1 ZINC000624120597 350198679 /nfs/dbraw/zinc/19/86/79/350198679.db2.gz CEFGODQWXONWJJ-JYJNAYRXSA-N 3 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](C)C2)[C@@H](C)C1 ZINC000624120597 350198682 /nfs/dbraw/zinc/19/86/82/350198682.db2.gz CEFGODQWXONWJJ-JYJNAYRXSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)[C@@H](C)C1 ZINC000624120597 350198684 /nfs/dbraw/zinc/19/86/84/350198684.db2.gz CEFGODQWXONWJJ-JYJNAYRXSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000624120597 350198688 /nfs/dbraw/zinc/19/86/88/350198688.db2.gz CEFGODQWXONWJJ-JYJNAYRXSA-N 3 1 267.461 2.038 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123381 350201286 /nfs/dbraw/zinc/20/12/86/350201286.db2.gz KYZPGFYAZGSEDI-IRXDYDNUSA-N 2 1 298.471 2.140 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1 ZINC000624131443 350204152 /nfs/dbraw/zinc/20/41/52/350204152.db2.gz NUHXFHYEWAQELW-KCPJHIHWSA-N 2 1 298.390 2.095 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000091661414 180220054 /nfs/dbraw/zinc/22/00/54/180220054.db2.gz VYTVMAYTDIEPOM-UKRRQHHQSA-N 2 1 259.397 2.390 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000091661414 180220055 /nfs/dbraw/zinc/22/00/55/180220055.db2.gz VYTVMAYTDIEPOM-UKRRQHHQSA-N 2 1 259.397 2.390 20 0 CEADMP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091665993 180221657 /nfs/dbraw/zinc/22/16/57/180221657.db2.gz YBLSLCQQGYAAIW-IIAWOOMASA-N 2 1 278.396 2.054 20 0 CEADMP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091665993 180221658 /nfs/dbraw/zinc/22/16/58/180221658.db2.gz YBLSLCQQGYAAIW-IIAWOOMASA-N 2 1 278.396 2.054 20 0 CEADMP CCCc1cc(NCC[N@H+]2CC[C@H](O)C2)c2ccccc2[nH+]1 ZINC000624772618 350358035 /nfs/dbraw/zinc/35/80/35/350358035.db2.gz ANUBGZATUUPMHR-HNNXBMFYSA-N 2 1 299.418 2.088 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000106868717 186144199 /nfs/dbraw/zinc/14/41/99/186144199.db2.gz ZOIHQQUIIAAJNV-LSDHHAIUSA-N 2 1 290.407 2.420 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000106868717 186144200 /nfs/dbraw/zinc/14/42/00/186144200.db2.gz ZOIHQQUIIAAJNV-LSDHHAIUSA-N 2 1 290.407 2.420 20 0 CEADMP CC[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)CC[C@@H]1[NH3+] ZINC000147489078 539800586 /nfs/dbraw/zinc/80/05/86/539800586.db2.gz JTVPXLVHANOGAO-ZBFHGGJFSA-N 2 1 274.408 2.223 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000130588185 365971031 /nfs/dbraw/zinc/97/10/31/365971031.db2.gz BJTDZXISDKSEMC-IMJJTQAJSA-N 2 1 260.381 2.254 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625778068 350568320 /nfs/dbraw/zinc/56/83/20/350568320.db2.gz MDDUFGYHQFHTFX-KGLIPLIRSA-N 2 1 265.426 2.323 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625778068 350568321 /nfs/dbraw/zinc/56/83/21/350568321.db2.gz MDDUFGYHQFHTFX-KGLIPLIRSA-N 2 1 265.426 2.323 20 0 CEADMP COc1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130644173 365976772 /nfs/dbraw/zinc/97/67/72/365976772.db2.gz SBZKAVZDDNEBGN-CFVMTHIKSA-N 2 1 260.381 2.254 20 0 CEADMP CC[N@@H+](CCn1cccn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062362 350645101 /nfs/dbraw/zinc/64/51/01/350645101.db2.gz PSPJVHGYSBPKQZ-UHFFFAOYSA-N 2 1 286.423 2.467 20 0 CEADMP CC[N@@H+](CC[C@H](C)O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063102 350645987 /nfs/dbraw/zinc/64/59/87/350645987.db2.gz RCVIVWNSIPUPGQ-AWEZNQCLSA-N 2 1 264.413 2.341 20 0 CEADMP COc1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)C2CC2)cn1 ZINC000626180774 350679919 /nfs/dbraw/zinc/67/99/19/350679919.db2.gz GBTXIKHMQFDBES-MRXNPFEDSA-N 2 1 286.379 2.107 20 0 CEADMP CCOCCC[N@H+]1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337044097 365998530 /nfs/dbraw/zinc/99/85/30/365998530.db2.gz DLQMWFREPQWGKQ-JKSUJKDBSA-N 2 1 262.397 2.087 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3n[nH]cc32)CC[N@@H+]1C ZINC000628183686 350994172 /nfs/dbraw/zinc/99/41/72/350994172.db2.gz KEEVHZVKHIMGLB-JSGCOSHPSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3n[nH]cc32)CC[N@H+]1C ZINC000628183686 350994174 /nfs/dbraw/zinc/99/41/74/350994174.db2.gz KEEVHZVKHIMGLB-JSGCOSHPSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc3n[nH]cc32)CC[NH+]1C ZINC000628183686 350994177 /nfs/dbraw/zinc/99/41/77/350994177.db2.gz KEEVHZVKHIMGLB-JSGCOSHPSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3n[nH]cc32)CC[NH+]1C ZINC000628183686 350994181 /nfs/dbraw/zinc/99/41/81/350994181.db2.gz KEEVHZVKHIMGLB-JSGCOSHPSA-N 2 1 272.396 2.477 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@]1(C)CCCS1 ZINC000628205603 351004412 /nfs/dbraw/zinc/00/44/12/351004412.db2.gz WJIUTRJBXQFGGU-CYBMUJFWSA-N 2 1 253.415 2.457 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)CCCS1 ZINC000628328431 351065956 /nfs/dbraw/zinc/06/59/56/351065956.db2.gz MWQAMBRFTBYFLY-JKSUJKDBSA-N 2 1 298.496 2.459 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)CCCS1 ZINC000628328430 351066105 /nfs/dbraw/zinc/06/61/05/351066105.db2.gz MWQAMBRFTBYFLY-HZPDHXFCSA-N 2 1 298.496 2.459 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000628279814 351038313 /nfs/dbraw/zinc/03/83/13/351038313.db2.gz AVPDBTRRUOPCHU-HNNXBMFYSA-N 2 1 277.412 2.455 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000628409519 351094670 /nfs/dbraw/zinc/09/46/70/351094670.db2.gz ULKAYALUEYGPEF-GASCZTMLSA-N 2 1 260.381 2.079 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4c(n3)CCC4)CC[C@H]21 ZINC000569077621 299177281 /nfs/dbraw/zinc/17/72/81/299177281.db2.gz NGRIUASGOKZEFC-MAUKXSAKSA-N 2 1 285.435 2.486 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000629516605 351385320 /nfs/dbraw/zinc/38/53/20/351385320.db2.gz LNHURPZKJWWUFN-OWCLPIDISA-N 2 1 266.429 2.266 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2CC(F)F)c2ccccc21 ZINC000629519716 351386162 /nfs/dbraw/zinc/38/61/62/351386162.db2.gz QIZJGTIPSZUVIF-GLQYFDAESA-N 2 1 295.377 2.450 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2CC(F)F)c2ccccc21 ZINC000629519696 351386882 /nfs/dbraw/zinc/38/68/82/351386882.db2.gz QIZJGTIPSZUVIF-DFBGVHRSSA-N 2 1 295.377 2.450 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000629526833 351391013 /nfs/dbraw/zinc/39/10/13/351391013.db2.gz AQKDSHFRESVWCB-VNQPRFMTSA-N 2 1 274.408 2.283 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000629527434 351391675 /nfs/dbraw/zinc/39/16/75/351391675.db2.gz VPHVLWKRXSOMPH-REWJHTLYSA-N 2 1 254.418 2.309 20 0 CEADMP [NH3+]CCC[N@@H+](CCOC1CCOCC1)Cc1ccccc1 ZINC000629529047 351393660 /nfs/dbraw/zinc/39/36/60/351393660.db2.gz QHZNNILBNKIFIX-UHFFFAOYSA-N 2 1 292.423 2.033 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2cc(CO)ccc2F)[C@@H]1CC[NH3+] ZINC000629535647 351398608 /nfs/dbraw/zinc/39/86/08/351398608.db2.gz FLFHIQMENYQFTK-BLLLJJGKSA-N 2 1 280.387 2.267 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4c(n3)CCC4)CC[C@H]21 ZINC000569077621 299177284 /nfs/dbraw/zinc/17/72/84/299177284.db2.gz NGRIUASGOKZEFC-MAUKXSAKSA-N 2 1 285.435 2.486 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4c(n3)CCC4)CC[C@H]21 ZINC000569077621 299177288 /nfs/dbraw/zinc/17/72/88/299177288.db2.gz NGRIUASGOKZEFC-MAUKXSAKSA-N 2 1 285.435 2.486 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4c(n3)CCC4)CC[C@H]21 ZINC000569077621 299177291 /nfs/dbraw/zinc/17/72/91/299177291.db2.gz NGRIUASGOKZEFC-MAUKXSAKSA-N 2 1 285.435 2.486 20 0 CEADMP Cc1cnccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000629540508 351401934 /nfs/dbraw/zinc/40/19/34/351401934.db2.gz VEBHYASHXUZYJS-GVDBMIGSSA-N 2 1 289.423 2.108 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000629389248 351347256 /nfs/dbraw/zinc/34/72/56/351347256.db2.gz TUPLHYCMPNEBAS-AEGPPILISA-N 2 1 264.417 2.125 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070074707 363027046 /nfs/dbraw/zinc/02/70/46/363027046.db2.gz LSCOBCHXSPLZAH-ZYHUDNBSSA-N 2 1 253.415 2.053 20 0 CEADMP C[C@@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C[C@H]1C[NH3+] ZINC000629648596 351447264 /nfs/dbraw/zinc/44/72/64/351447264.db2.gz RSDRKUIZLQXUEM-CZUORRHYSA-N 2 1 272.392 2.379 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1cnc(C2CCC2)s1 ZINC000629653740 351450473 /nfs/dbraw/zinc/45/04/73/351450473.db2.gz MUFSDHDLDJPDIZ-UHFFFAOYSA-N 2 1 283.441 2.078 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cnc(C2CCC2)s1 ZINC000629653740 351450478 /nfs/dbraw/zinc/45/04/78/351450478.db2.gz MUFSDHDLDJPDIZ-UHFFFAOYSA-N 2 1 283.441 2.078 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(C)c(C)cc1C ZINC000629654138 351450555 /nfs/dbraw/zinc/45/05/55/351450555.db2.gz VVBBSQWEGBLREX-UHFFFAOYSA-N 2 1 264.413 2.280 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000629653170 351451254 /nfs/dbraw/zinc/45/12/54/351451254.db2.gz HILINLGJLSLHJD-VHDGCEQUSA-N 2 1 292.423 2.452 20 0 CEADMP CC1(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629652921 351451395 /nfs/dbraw/zinc/45/13/95/351451395.db2.gz CKMKMILAJIWVKH-ZJUUUORDSA-N 2 1 250.308 2.246 20 0 CEADMP Cc1cc(C[N@@H+](C)CCOCC[NH3+])ccc1Cl ZINC000629664274 351456731 /nfs/dbraw/zinc/45/67/31/351456731.db2.gz KNKYWDHREPERNZ-UHFFFAOYSA-N 2 1 256.777 2.056 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000629568249 351417087 /nfs/dbraw/zinc/41/70/87/351417087.db2.gz PHKLMOUCSNSILZ-UHFFFAOYSA-N 2 1 256.777 2.008 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000629571874 351419541 /nfs/dbraw/zinc/41/95/41/351419541.db2.gz RWHQGOBHJYISHH-AWEZNQCLSA-N 2 1 250.386 2.224 20 0 CEADMP C[N@H+](CCOCC[NH3+])Cc1c(Cl)oc2ccccc21 ZINC000629580683 351421717 /nfs/dbraw/zinc/42/17/17/351421717.db2.gz DHOHQSXFLGNZAD-UHFFFAOYSA-N 2 1 282.771 2.493 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1c(Cl)oc2ccccc21 ZINC000629580683 351421720 /nfs/dbraw/zinc/42/17/20/351421720.db2.gz DHOHQSXFLGNZAD-UHFFFAOYSA-N 2 1 282.771 2.493 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000070170888 363043138 /nfs/dbraw/zinc/04/31/38/363043138.db2.gz PYNAOOPJTZZIMI-GFCCVEGCSA-N 2 1 295.814 2.339 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000070170888 363043146 /nfs/dbraw/zinc/04/31/46/363043146.db2.gz PYNAOOPJTZZIMI-GFCCVEGCSA-N 2 1 295.814 2.339 20 0 CEADMP CCN(C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)C1CCCCC1 ZINC000070170475 363043963 /nfs/dbraw/zinc/04/39/63/363043963.db2.gz CFEDQJDFLRTTGW-OAHLLOKOSA-N 2 1 295.471 2.228 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000070174061 363047005 /nfs/dbraw/zinc/04/70/05/363047005.db2.gz DRCPFEIFUFDXJB-SWLSCSKDSA-N 2 1 276.380 2.032 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000070360490 363075528 /nfs/dbraw/zinc/07/55/28/363075528.db2.gz YHJBINXNCCSCMV-ZNMIVQPWSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC000070344084 363072871 /nfs/dbraw/zinc/07/28/71/363072871.db2.gz IGOGSDAGOYSAJF-RBSFLKMASA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1CCC[C@@](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)([NH+](C)C)C1 ZINC000131251962 366034984 /nfs/dbraw/zinc/03/49/84/366034984.db2.gz ATKGFTDXIMCIKK-YYIAUSFCSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000131417493 366050620 /nfs/dbraw/zinc/05/06/20/366050620.db2.gz RCIHUSXTHQOUII-LBPRGKRZSA-N 2 1 264.417 2.476 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000131284371 366038731 /nfs/dbraw/zinc/03/87/31/366038731.db2.gz PNWKMPDHCGRGIS-XHSDSOJGSA-N 2 1 288.391 2.032 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1C ZINC000630477033 351752940 /nfs/dbraw/zinc/75/29/40/351752940.db2.gz DFTCAURTWXLAAA-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000131637430 366073642 /nfs/dbraw/zinc/07/36/42/366073642.db2.gz YSDQOZYQJANGPS-DZGCQCFKSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCSc1ccccc1 ZINC000131706404 366078973 /nfs/dbraw/zinc/07/89/73/366078973.db2.gz MQDCBCINOSIAEN-QWHCGFSZSA-N 2 1 250.411 2.448 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccco2)CC1 ZINC000121754746 186993818 /nfs/dbraw/zinc/99/38/18/186993818.db2.gz SGAUHZMTRJWXDG-UHFFFAOYSA-N 2 1 259.353 2.468 20 0 CEADMP Cc1oc2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000123592394 187099640 /nfs/dbraw/zinc/09/96/40/187099640.db2.gz QHNPLXSTQUQTGK-BETUJISGSA-N 2 1 256.349 2.392 20 0 CEADMP c1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)n(CC2CCC2)n1 ZINC000631039408 351932937 /nfs/dbraw/zinc/93/29/37/351932937.db2.gz IWIRXZUIIYBUSU-OAHLLOKOSA-N 2 1 288.439 2.257 20 0 CEADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)n(CC2CCC2)n1 ZINC000631039408 351932939 /nfs/dbraw/zinc/93/29/39/351932939.db2.gz IWIRXZUIIYBUSU-OAHLLOKOSA-N 2 1 288.439 2.257 20 0 CEADMP Cc1cc(C)c(/C=C/C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC000631111989 351969104 /nfs/dbraw/zinc/96/91/04/351969104.db2.gz NLGBKUAKYWBYGL-QWNKOJSDSA-N 2 1 288.435 2.281 20 0 CEADMP Cc1cc(C)c(/C=C/C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000631111989 351969107 /nfs/dbraw/zinc/96/91/07/351969107.db2.gz NLGBKUAKYWBYGL-QWNKOJSDSA-N 2 1 288.435 2.281 20 0 CEADMP Cc1scc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c1C ZINC000631166928 351996135 /nfs/dbraw/zinc/99/61/35/351996135.db2.gz NVMSJTKAERVEMU-UHFFFAOYSA-N 2 1 282.453 2.301 20 0 CEADMP C[NH+](C)[C@H]1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000271468338 191155487 /nfs/dbraw/zinc/15/54/87/191155487.db2.gz YILIVFQPJNIJOT-ROUUACIJSA-N 2 1 287.451 2.287 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)c1c(F)cccc1F ZINC000271473040 191158475 /nfs/dbraw/zinc/15/84/75/191158475.db2.gz JGOMQQJIPLDRCX-GOEBONIOSA-N 2 1 298.377 2.461 20 0 CEADMP O[C@@H](C[NH2+]Cc1ccc2c(c1)CCCC2)C[NH+]1CCCC1 ZINC000292006252 198132879 /nfs/dbraw/zinc/13/28/79/198132879.db2.gz VHUUAIRWXJHUHY-SFHVURJKSA-N 2 1 288.435 2.112 20 0 CEADMP CC(C)Oc1ncccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000093215452 539845234 /nfs/dbraw/zinc/84/52/34/539845234.db2.gz MSYCSDTZYPBQID-KBPBESRZSA-N 2 1 263.385 2.228 20 0 CEADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCn2cccn2)C1 ZINC000072974825 363186447 /nfs/dbraw/zinc/18/64/47/363186447.db2.gz NKJHXPVHJJJZHQ-DLBZAZTESA-N 2 1 290.455 2.470 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCn2cccn2)C1 ZINC000072974825 363186452 /nfs/dbraw/zinc/18/64/52/363186452.db2.gz NKJHXPVHJJJZHQ-DLBZAZTESA-N 2 1 290.455 2.470 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000072974825 363186455 /nfs/dbraw/zinc/18/64/55/363186455.db2.gz NKJHXPVHJJJZHQ-DLBZAZTESA-N 2 1 290.455 2.470 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000072974825 363186459 /nfs/dbraw/zinc/18/64/59/363186459.db2.gz NKJHXPVHJJJZHQ-DLBZAZTESA-N 2 1 290.455 2.470 20 0 CEADMP C[C@H]1C[C@@H](NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1C ZINC000152655240 539935237 /nfs/dbraw/zinc/93/52/37/539935237.db2.gz DBHXDYZZRVNJDK-GJZGRUSLSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-n2ccnc2)CC[N@H+]1C ZINC000152219699 188003116 /nfs/dbraw/zinc/00/31/16/188003116.db2.gz RQFRJZSODCIGKP-GDBMZVCRSA-N 2 1 284.407 2.445 20 0 CEADMP CCc1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)o1 ZINC000336452977 213319824 /nfs/dbraw/zinc/31/98/24/213319824.db2.gz ZCUJFWKKSJEBNN-ZIAGYGMSSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000336452977 213319816 /nfs/dbraw/zinc/31/98/16/213319816.db2.gz ZCUJFWKKSJEBNN-ZIAGYGMSSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000336452977 213319820 /nfs/dbraw/zinc/31/98/20/213319820.db2.gz ZCUJFWKKSJEBNN-ZIAGYGMSSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)o1 ZINC000336452977 213319822 /nfs/dbraw/zinc/31/98/22/213319822.db2.gz ZCUJFWKKSJEBNN-ZIAGYGMSSA-N 2 1 277.412 2.462 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250605196 539966478 /nfs/dbraw/zinc/96/64/78/539966478.db2.gz LBHJPBGEGUDDBJ-YYIAUSFCSA-N 3 1 279.472 2.229 20 0 CEADMP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250605196 539966482 /nfs/dbraw/zinc/96/64/82/539966482.db2.gz LBHJPBGEGUDDBJ-YYIAUSFCSA-N 2 1 279.472 2.229 20 0 CEADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250605196 539966487 /nfs/dbraw/zinc/96/64/87/539966487.db2.gz LBHJPBGEGUDDBJ-YYIAUSFCSA-N 2 1 279.472 2.229 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)nc1 ZINC000251207960 539972394 /nfs/dbraw/zinc/97/23/94/539972394.db2.gz BHWISCSMKRJHDC-GDBMZVCRSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)nc1 ZINC000251207960 539972400 /nfs/dbraw/zinc/97/24/00/539972400.db2.gz BHWISCSMKRJHDC-GDBMZVCRSA-N 2 1 259.397 2.354 20 0 CEADMP COc1cccc(OCC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000154180627 188128011 /nfs/dbraw/zinc/12/80/11/188128011.db2.gz RBPTWLUXBBZBKG-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP COc1cccc(OCC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000154180627 188128012 /nfs/dbraw/zinc/12/80/12/188128012.db2.gz RBPTWLUXBBZBKG-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP COc1cccc(OCC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000154180627 188128013 /nfs/dbraw/zinc/12/80/13/188128013.db2.gz RBPTWLUXBBZBKG-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP COc1ccccc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154545698 188149629 /nfs/dbraw/zinc/14/96/29/188149629.db2.gz KRKQIQSRUBAPOU-HIFRSBDPSA-N 2 1 262.397 2.310 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCN2CCc3ccccc32)C1 ZINC000292436253 198288632 /nfs/dbraw/zinc/28/86/32/198288632.db2.gz MSKCZQHCKDCFIY-INIZCTEOSA-N 2 1 287.451 2.323 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCN2CCc3ccccc32)C1 ZINC000292436253 198288633 /nfs/dbraw/zinc/28/86/33/198288633.db2.gz MSKCZQHCKDCFIY-INIZCTEOSA-N 2 1 287.451 2.323 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCN2CCc3ccccc32)C1 ZINC000292436253 198288634 /nfs/dbraw/zinc/28/86/34/198288634.db2.gz MSKCZQHCKDCFIY-INIZCTEOSA-N 2 1 287.451 2.323 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CCO1 ZINC000251726339 539990022 /nfs/dbraw/zinc/99/00/22/539990022.db2.gz SFASATPXHGOJJT-RBSFLKMASA-N 2 1 254.418 2.264 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000155457796 188207157 /nfs/dbraw/zinc/20/71/57/188207157.db2.gz LMEFTTRQSABJRR-PBFPGSCMSA-N 2 1 289.423 2.463 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000155457796 188207158 /nfs/dbraw/zinc/20/71/58/188207158.db2.gz LMEFTTRQSABJRR-PBFPGSCMSA-N 2 1 289.423 2.463 20 0 CEADMP Cc1cc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cs1 ZINC000295173028 199386965 /nfs/dbraw/zinc/38/69/65/199386965.db2.gz LQOLKZKZAKUFMQ-UHFFFAOYSA-N 2 1 295.496 2.420 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1O ZINC000156093668 188242302 /nfs/dbraw/zinc/24/23/02/188242302.db2.gz ALQOLQVXARLNGC-CABCVRRESA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1O ZINC000156093668 188242303 /nfs/dbraw/zinc/24/23/03/188242303.db2.gz ALQOLQVXARLNGC-CABCVRRESA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1O ZINC000156093668 188242305 /nfs/dbraw/zinc/24/23/05/188242305.db2.gz ALQOLQVXARLNGC-CABCVRRESA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1O ZINC000156093668 188242306 /nfs/dbraw/zinc/24/23/06/188242306.db2.gz ALQOLQVXARLNGC-CABCVRRESA-N 2 1 290.407 2.317 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)CC[C@H]1[NH3+] ZINC000251855805 539992789 /nfs/dbraw/zinc/99/27/89/539992789.db2.gz SGEFHBQGTUXGNU-TZMCWYRMSA-N 2 1 266.360 2.394 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)CC[C@H]1[NH3+] ZINC000251855805 539992793 /nfs/dbraw/zinc/99/27/93/539992793.db2.gz SGEFHBQGTUXGNU-TZMCWYRMSA-N 2 1 266.360 2.394 20 0 CEADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cc(C)ncn1 ZINC000292651785 198362186 /nfs/dbraw/zinc/36/21/86/198362186.db2.gz BKDGZMVYWCDMIN-UHFFFAOYSA-N 2 1 287.411 2.456 20 0 CEADMP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2CCC(=O)NC2(C)C)([NH+](C)C)C1 ZINC000494890691 291003044 /nfs/dbraw/zinc/00/30/44/291003044.db2.gz OANNPVIJOKNRMB-CKEIUWERSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)C[C@H]2C)CC1 ZINC000337257657 366110598 /nfs/dbraw/zinc/11/05/98/366110598.db2.gz UJPDGICJWWBBIG-JKSUJKDBSA-N 2 1 267.461 2.133 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)[C@@H]1C ZINC000495034666 291012370 /nfs/dbraw/zinc/01/23/70/291012370.db2.gz FJWDAAHALCQDCX-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)c2ccccc21 ZINC000132209733 366126656 /nfs/dbraw/zinc/12/66/56/366126656.db2.gz XYYAHSHWUDZGNZ-LSDHHAIUSA-N 2 1 260.381 2.274 20 0 CEADMP CCn1nc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c2ccccc21 ZINC000132418222 366143365 /nfs/dbraw/zinc/14/33/65/366143365.db2.gz VMKYNOJJYOVVCE-CHWSQXEVSA-N 2 1 272.396 2.225 20 0 CEADMP CCn1nc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c2ccccc21 ZINC000132418222 366143367 /nfs/dbraw/zinc/14/33/67/366143367.db2.gz VMKYNOJJYOVVCE-CHWSQXEVSA-N 2 1 272.396 2.225 20 0 CEADMP Cc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)nc(C)[nH+]1 ZINC000132870968 366176779 /nfs/dbraw/zinc/17/67/79/366176779.db2.gz WNKLNMSXKGJUQV-AWEZNQCLSA-N 2 1 260.385 2.016 20 0 CEADMP CC(C)[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000132988673 366186259 /nfs/dbraw/zinc/18/62/59/366186259.db2.gz CUHHCMOBEWSUQJ-PMPSAXMXSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000132986253 366186473 /nfs/dbraw/zinc/18/64/73/366186473.db2.gz MALUGCLSVAINDZ-AWEZNQCLSA-N 2 1 262.401 2.262 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C(C)C)[C@H](CO)C(C)C ZINC000451589845 283043589 /nfs/dbraw/zinc/04/35/89/283043589.db2.gz AZZWVJFVQZMKQT-HUUCEWRRSA-N 2 1 267.417 2.070 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000358569637 283057072 /nfs/dbraw/zinc/05/70/72/283057072.db2.gz WPRITAJXEFBWSW-MRXNPFEDSA-N 2 1 291.439 2.056 20 0 CEADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157437393 540041306 /nfs/dbraw/zinc/04/13/06/540041306.db2.gz GYUUEZSWCVOUHH-INMHGKMJSA-N 2 1 271.408 2.473 20 0 CEADMP CC[C@@H]1CCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000569919484 299225791 /nfs/dbraw/zinc/22/57/91/299225791.db2.gz YQPRSCSQGIZRDI-RDHHWEPZSA-N 2 1 279.472 2.371 20 0 CEADMP CC[C@H]1CN(CC)CC[N@H+]1CCCCn1ccnc1C ZINC000451740387 283088629 /nfs/dbraw/zinc/08/86/29/283088629.db2.gz LRKUFGNNNJVXNL-INIZCTEOSA-N 2 1 278.444 2.388 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000380939921 540137168 /nfs/dbraw/zinc/13/71/68/540137168.db2.gz LZYWUMAOXUUYOB-OAHLLOKOSA-N 2 1 262.397 2.264 20 0 CEADMP CO[C@H]1C[C@@H]([N@H+](C)CCCn2cc[nH+]c2C)C12CCC2 ZINC000451854705 283126018 /nfs/dbraw/zinc/12/60/18/283126018.db2.gz QZCGZJROUJRHDP-CABCVRRESA-N 2 1 277.412 2.471 20 0 CEADMP CO[C@H]1C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2C)C12CCC2 ZINC000451854705 283126020 /nfs/dbraw/zinc/12/60/20/283126020.db2.gz QZCGZJROUJRHDP-CABCVRRESA-N 2 1 277.412 2.471 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCCC2)[C@@H]2CCC[C@H]21 ZINC000367539003 283134303 /nfs/dbraw/zinc/13/43/03/283134303.db2.gz VLEIBZPAQKHGKX-HRCADAONSA-N 2 1 280.456 2.392 20 0 CEADMP C[C@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)CC[N@H+]1C ZINC000335754333 291082959 /nfs/dbraw/zinc/08/29/59/291082959.db2.gz DHLNZDXTDXFYNX-ZFWWWQNUSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000570093350 299237794 /nfs/dbraw/zinc/23/77/94/299237794.db2.gz PHYOQEPZDQPOFC-LLVKDONJSA-N 2 1 289.427 2.050 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCC3)C2)[C@H]2CCC[C@H]21 ZINC000353501996 283140645 /nfs/dbraw/zinc/14/06/45/283140645.db2.gz JZWITODQVPXHKE-NRSFXHEJSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@H]2CCC[C@H]21 ZINC000353501996 283140648 /nfs/dbraw/zinc/14/06/48/283140648.db2.gz JZWITODQVPXHKE-NRSFXHEJSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@H]2CCC[C@H]21 ZINC000353501996 283140651 /nfs/dbraw/zinc/14/06/51/283140651.db2.gz JZWITODQVPXHKE-NRSFXHEJSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)[C@@H]2CCC[C@@H]21 ZINC000353523164 283140910 /nfs/dbraw/zinc/14/09/10/283140910.db2.gz WYAIQPCHCPKPRG-RFGFWPKPSA-N 2 1 254.443 2.344 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000385277899 540227596 /nfs/dbraw/zinc/22/75/96/540227596.db2.gz JCLABCRSPZEODM-TUVASFSCSA-N 2 1 256.434 2.102 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccc(O)cc1 ZINC000273551372 192198885 /nfs/dbraw/zinc/19/88/85/192198885.db2.gz CSRDPGGXHAHVHJ-UHFFFAOYSA-N 2 1 271.364 2.186 20 0 CEADMP C[C@H]1C[C@@H](CC[NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000273598941 192224130 /nfs/dbraw/zinc/22/41/30/192224130.db2.gz LMDDNQLHKKCPRL-KBPBESRZSA-N 2 1 277.412 2.442 20 0 CEADMP CCO[C@@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000452024865 283162863 /nfs/dbraw/zinc/16/28/63/283162863.db2.gz ZOJFROSDNUBOGN-ZIAGYGMSSA-N 2 1 251.374 2.129 20 0 CEADMP [NH3+]CCC[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000414733185 540245481 /nfs/dbraw/zinc/24/54/81/540245481.db2.gz DETKCMOOXJMYIJ-UHFFFAOYSA-N 2 1 253.777 2.263 20 0 CEADMP C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1CCC[NH3+] ZINC000414744687 540245489 /nfs/dbraw/zinc/24/54/89/540245489.db2.gz ORSIGCZVHXJCBA-CQSZACIVSA-N 2 1 284.407 2.094 20 0 CEADMP COc1ccc([C@H](C[NH2+]CCC[NH3+])N2CCCCC2)cc1 ZINC000415088524 540249790 /nfs/dbraw/zinc/24/97/90/540249790.db2.gz VGDTXPGANGZANH-KRWDZBQOSA-N 2 1 291.439 2.161 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2scnc2C2CC2)CC[NH2+]1 ZINC000414947303 540248445 /nfs/dbraw/zinc/24/84/45/540248445.db2.gz KPRBCMHCYVQCSW-KOLCDFICSA-N 2 1 251.399 2.251 20 0 CEADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000338292736 366278230 /nfs/dbraw/zinc/27/82/30/366278230.db2.gz QNSVVTJNBWDHOA-OLZOCXBDSA-N 2 1 281.400 2.149 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1C[NH+](CC)C[C@@H]1C ZINC000353073193 283187303 /nfs/dbraw/zinc/18/73/03/283187303.db2.gz OQDKUYFJDMUARK-SOUVJXGZSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000353073193 283187305 /nfs/dbraw/zinc/18/73/05/283187305.db2.gz OQDKUYFJDMUARK-SOUVJXGZSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000353073193 283187309 /nfs/dbraw/zinc/18/73/09/283187309.db2.gz OQDKUYFJDMUARK-SOUVJXGZSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1C[NH+](CC)C[C@@H]1C ZINC000353073191 283188088 /nfs/dbraw/zinc/18/80/88/283188088.db2.gz OQDKUYFJDMUARK-KKUMJFAQSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1C[N@H+](CC)C[C@@H]1C ZINC000353073191 283188090 /nfs/dbraw/zinc/18/80/90/283188090.db2.gz OQDKUYFJDMUARK-KKUMJFAQSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000353073191 283188092 /nfs/dbraw/zinc/18/80/92/283188092.db2.gz OQDKUYFJDMUARK-KKUMJFAQSA-N 2 1 255.450 2.037 20 0 CEADMP C[C@@H](C[N@H+](CCO)C1CC[NH+](C)CC1)C(C)(C)C ZINC000670261361 540255075 /nfs/dbraw/zinc/25/50/75/540255075.db2.gz LNTYWHYNSPDTOK-ZDUSSCGKSA-N 2 1 256.434 2.057 20 0 CEADMP C[C@@H](C[N@@H+](CCO)C1CC[NH+](C)CC1)C(C)(C)C ZINC000670261361 540255078 /nfs/dbraw/zinc/25/50/78/540255078.db2.gz LNTYWHYNSPDTOK-ZDUSSCGKSA-N 2 1 256.434 2.057 20 0 CEADMP c1cn(-c2csc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)cn1 ZINC000336327962 213174154 /nfs/dbraw/zinc/17/41/54/213174154.db2.gz QZFHPOMQGCDELT-DOMZBBRYSA-N 2 1 288.420 2.118 20 0 CEADMP COCC[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000088505896 538877587 /nfs/dbraw/zinc/87/75/87/538877587.db2.gz FBSKBLHJUPDJGV-CQSZACIVSA-N 2 1 256.434 2.464 20 0 CEADMP COCC[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000088505895 538877719 /nfs/dbraw/zinc/87/77/19/538877719.db2.gz FBSKBLHJUPDJGV-AWEZNQCLSA-N 2 1 256.434 2.464 20 0 CEADMP C[N@@H+](CCN[C@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166335623 540301140 /nfs/dbraw/zinc/30/11/40/540301140.db2.gz AKTXMFSQWSNVJA-DOTOQJQBSA-N 2 1 279.472 2.467 20 0 CEADMP C[NH+](CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166335623 540301145 /nfs/dbraw/zinc/30/11/45/540301145.db2.gz AKTXMFSQWSNVJA-DOTOQJQBSA-N 2 1 279.472 2.467 20 0 CEADMP C[NH+](CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166335623 540301149 /nfs/dbraw/zinc/30/11/49/540301149.db2.gz AKTXMFSQWSNVJA-DOTOQJQBSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000166379974 540305826 /nfs/dbraw/zinc/30/58/26/540305826.db2.gz CUDAAYLGWXUKBR-BRWVUGGUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000389864163 540368534 /nfs/dbraw/zinc/36/85/34/540368534.db2.gz JWJJUAHSZXSJEB-BPQIPLTHSA-N 2 1 287.451 2.239 20 0 CEADMP Cc1cnc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000294782540 199180213 /nfs/dbraw/zinc/18/02/13/199180213.db2.gz NWBRUWPCBCCHBD-JTQLQIEISA-N 2 1 264.398 2.382 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCO1 ZINC000371427728 291145746 /nfs/dbraw/zinc/14/57/46/291145746.db2.gz YQVNUNZEYKNPCY-JKSUJKDBSA-N 2 1 296.455 2.179 20 0 CEADMP Cn1ccnc1[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000577814002 366400539 /nfs/dbraw/zinc/40/05/39/366400539.db2.gz CCYSWCGPNDJOBL-OAHLLOKOSA-N 2 1 276.428 2.085 20 0 CEADMP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000577865678 366411101 /nfs/dbraw/zinc/41/11/01/366411101.db2.gz JWSMQTGADZZIJO-RBSFLKMASA-N 3 1 253.434 2.110 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC12CCOCC2 ZINC000577905385 366415376 /nfs/dbraw/zinc/41/53/76/366415376.db2.gz WOUOZUMLEWKHQA-KBPBESRZSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC12CCOCC2 ZINC000577905385 366415381 /nfs/dbraw/zinc/41/53/81/366415381.db2.gz WOUOZUMLEWKHQA-KBPBESRZSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)C(=O)OC)C[C@@H]1C ZINC000338544630 366404101 /nfs/dbraw/zinc/40/41/01/366404101.db2.gz CSXHITMBYARFPE-UONOGXRCSA-N 2 1 284.444 2.380 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(C)(C)C(=O)OC)C[C@@H]1C ZINC000338544630 366404104 /nfs/dbraw/zinc/40/41/04/366404104.db2.gz CSXHITMBYARFPE-UONOGXRCSA-N 2 1 284.444 2.380 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(C)(C)C(=O)OC)C[C@@H]1C ZINC000338544630 366404106 /nfs/dbraw/zinc/40/41/06/366404106.db2.gz CSXHITMBYARFPE-UONOGXRCSA-N 2 1 284.444 2.380 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(C)(C)C(=O)OC)C1 ZINC000338544336 366404235 /nfs/dbraw/zinc/40/42/35/366404235.db2.gz MQMOSKKUIGLLGK-AWEZNQCLSA-N 2 1 284.444 2.239 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(C)(C)C(=O)OC)C1 ZINC000338544336 366404238 /nfs/dbraw/zinc/40/42/38/366404238.db2.gz MQMOSKKUIGLLGK-AWEZNQCLSA-N 2 1 284.444 2.239 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(C)(C)C(=O)OC)C1 ZINC000338544336 366404241 /nfs/dbraw/zinc/40/42/41/366404241.db2.gz MQMOSKKUIGLLGK-AWEZNQCLSA-N 2 1 284.444 2.239 20 0 CEADMP CCOC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000578075670 366440269 /nfs/dbraw/zinc/44/02/69/366440269.db2.gz HGPWQUGYOXMIBT-OAHLLOKOSA-N 2 1 274.408 2.191 20 0 CEADMP COc1nccnc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000294872576 199224456 /nfs/dbraw/zinc/22/44/56/199224456.db2.gz QFPMJQAJCLAUFI-UHFFFAOYSA-N 2 1 292.427 2.039 20 0 CEADMP CC[NH+]1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000578284458 366470353 /nfs/dbraw/zinc/47/03/53/366470353.db2.gz GUCOFCVJEOQBHL-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC(C)C ZINC000417349440 237088276 /nfs/dbraw/zinc/08/82/76/237088276.db2.gz FBRZROCWKCQGQN-KFWWJZLASA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671756388 540503206 /nfs/dbraw/zinc/50/32/06/540503206.db2.gz SIZQSKKQTVOPQO-JQWIXIFHSA-N 2 1 298.346 2.396 20 0 CEADMP C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667693681 540521675 /nfs/dbraw/zinc/52/16/75/540521675.db2.gz SASHVYYTSWEIHV-QWHCGFSZSA-N 2 1 256.353 2.498 20 0 CEADMP C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667693681 540521679 /nfs/dbraw/zinc/52/16/79/540521679.db2.gz SASHVYYTSWEIHV-QWHCGFSZSA-N 2 1 256.353 2.498 20 0 CEADMP COc1cc2c(c(C[NH2+][C@H]3CCC[NH2+]CC3)c1)O[C@@H](C)C2 ZINC000666855352 540509960 /nfs/dbraw/zinc/50/99/60/540509960.db2.gz NQWCDTUMLKXSNI-WFASDCNBSA-N 2 1 290.407 2.250 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000334822857 291190504 /nfs/dbraw/zinc/19/05/04/291190504.db2.gz YAGBFPYATKNLMC-HIFRSBDPSA-N 2 1 266.429 2.456 20 0 CEADMP C[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000578981276 366574994 /nfs/dbraw/zinc/57/49/94/366574994.db2.gz KAZPMWPSZZFUJW-SCRDCRAPSA-N 2 1 268.426 2.101 20 0 CEADMP C[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000578981276 366575000 /nfs/dbraw/zinc/57/50/00/366575000.db2.gz KAZPMWPSZZFUJW-SCRDCRAPSA-N 2 1 268.426 2.101 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000579254398 366619777 /nfs/dbraw/zinc/61/97/77/366619777.db2.gz ILFAJCYKIAANPR-ZHJNCLIFSA-N 2 1 288.435 2.477 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000579254398 366619780 /nfs/dbraw/zinc/61/97/80/366619780.db2.gz ILFAJCYKIAANPR-ZHJNCLIFSA-N 2 1 288.435 2.477 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCC[C@H]1C ZINC000339065812 366638770 /nfs/dbraw/zinc/63/87/70/366638770.db2.gz HODQNJOWVFSRNW-VQHPVUNQSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+]1CCCC[C@H]1C ZINC000339065812 366638774 /nfs/dbraw/zinc/63/87/74/366638774.db2.gz HODQNJOWVFSRNW-VQHPVUNQSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@H+]1CCCC[C@H]1C ZINC000339065812 366638778 /nfs/dbraw/zinc/63/87/78/366638778.db2.gz HODQNJOWVFSRNW-VQHPVUNQSA-N 2 1 279.472 2.466 20 0 CEADMP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000341879823 216134472 /nfs/dbraw/zinc/13/44/72/216134472.db2.gz OYRDWAARMPSKLS-JKSUJKDBSA-N 2 1 290.455 2.186 20 0 CEADMP COC[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000177284789 189041795 /nfs/dbraw/zinc/04/17/95/189041795.db2.gz IHMOVSJTGPCPJY-HNNXBMFYSA-N 2 1 286.379 2.126 20 0 CEADMP CCc1noc(CC)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000571413691 299309435 /nfs/dbraw/zinc/30/94/35/299309435.db2.gz APVUEWSGTZHLLD-LLVKDONJSA-N 2 1 251.374 2.031 20 0 CEADMP CC(C)n1cc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)nn1 ZINC000342051781 216202325 /nfs/dbraw/zinc/20/23/25/216202325.db2.gz AQEZGZLKMNZOCU-UHFFFAOYSA-N 2 1 287.411 2.210 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(CO)c(F)c1 ZINC000178563240 189127260 /nfs/dbraw/zinc/12/72/60/189127260.db2.gz FASULPLQVVUSBO-XHBSWPGZSA-N 2 1 280.387 2.136 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(CO)c(F)c1 ZINC000178563240 189127261 /nfs/dbraw/zinc/12/72/61/189127261.db2.gz FASULPLQVVUSBO-XHBSWPGZSA-N 2 1 280.387 2.136 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)[C@H](C)C1 ZINC000178562354 189127287 /nfs/dbraw/zinc/12/72/87/189127287.db2.gz LTFLUEJLSPQZJF-MLGOLLRUSA-N 2 1 280.387 2.138 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)[C@H](C)C1 ZINC000178562354 189127288 /nfs/dbraw/zinc/12/72/88/189127288.db2.gz LTFLUEJLSPQZJF-MLGOLLRUSA-N 2 1 280.387 2.138 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000178629203 189132483 /nfs/dbraw/zinc/13/24/83/189132483.db2.gz CHCXKPWZQWZWSV-ZFWWWQNUSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000178629203 189132484 /nfs/dbraw/zinc/13/24/84/189132484.db2.gz CHCXKPWZQWZWSV-ZFWWWQNUSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000178629203 189132485 /nfs/dbraw/zinc/13/24/85/189132485.db2.gz CHCXKPWZQWZWSV-ZFWWWQNUSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000178629203 189132486 /nfs/dbraw/zinc/13/24/86/189132486.db2.gz CHCXKPWZQWZWSV-ZFWWWQNUSA-N 2 1 275.396 2.006 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](n2ccnc2)C1 ZINC000675496266 540847877 /nfs/dbraw/zinc/84/78/77/540847877.db2.gz RWBPUEIGGUUBQI-HOTGVXAUSA-N 2 1 276.428 2.394 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000675496266 540847881 /nfs/dbraw/zinc/84/78/81/540847881.db2.gz RWBPUEIGGUUBQI-HOTGVXAUSA-N 2 1 276.428 2.394 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000675496266 540847884 /nfs/dbraw/zinc/84/78/84/540847884.db2.gz RWBPUEIGGUUBQI-HOTGVXAUSA-N 2 1 276.428 2.394 20 0 CEADMP Cc1nc(C)c(C)c(NC[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000675548073 540852240 /nfs/dbraw/zinc/85/22/40/540852240.db2.gz CHKKDXDKOGWOKA-ZDUSSCGKSA-N 2 1 260.385 2.298 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000675821596 540876715 /nfs/dbraw/zinc/87/67/15/540876715.db2.gz LCZQIMXWIXWENW-HZPDHXFCSA-N 3 1 281.488 2.427 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000342202391 216258285 /nfs/dbraw/zinc/25/82/85/216258285.db2.gz ATSMNLBNLAPRDK-AWEZNQCLSA-N 2 1 288.391 2.478 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000342202391 216258287 /nfs/dbraw/zinc/25/82/87/216258287.db2.gz ATSMNLBNLAPRDK-AWEZNQCLSA-N 2 1 288.391 2.478 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000152063382 366685390 /nfs/dbraw/zinc/68/53/90/366685390.db2.gz KRYKNCWWEMFFHV-OCCSQVGLSA-N 2 1 276.380 2.235 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000152063382 366685394 /nfs/dbraw/zinc/68/53/94/366685394.db2.gz KRYKNCWWEMFFHV-OCCSQVGLSA-N 2 1 276.380 2.235 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1ccccn1 ZINC000181496067 189298415 /nfs/dbraw/zinc/29/84/15/189298415.db2.gz WZEYGUZWMUYHFI-YCPHGPKFSA-N 2 1 261.413 2.333 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1ccccn1 ZINC000181496043 189298730 /nfs/dbraw/zinc/29/87/30/189298730.db2.gz WZEYGUZWMUYHFI-FMKPAKJESA-N 2 1 261.413 2.333 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000579898046 366718038 /nfs/dbraw/zinc/71/80/38/366718038.db2.gz XFJXSLAOACQBFC-FMKPAKJESA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000579898046 366718041 /nfs/dbraw/zinc/71/80/41/366718041.db2.gz XFJXSLAOACQBFC-FMKPAKJESA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000579898046 366718046 /nfs/dbraw/zinc/71/80/46/366718046.db2.gz XFJXSLAOACQBFC-FMKPAKJESA-N 2 1 267.461 2.179 20 0 CEADMP CCc1nc(NCCC[NH+]2CCC(C)CC2)cc(C)[nH+]1 ZINC000339968687 366732531 /nfs/dbraw/zinc/73/25/31/366732531.db2.gz FBUKTWRCUAFGTD-UHFFFAOYSA-N 2 1 276.428 2.303 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccc(F)cc2)CC[N@H+]1C ZINC000181793179 189306453 /nfs/dbraw/zinc/30/64/53/189306453.db2.gz DWFMXXIGPRCQLD-MAZHCROVSA-N 2 1 280.387 2.106 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000153888344 366742594 /nfs/dbraw/zinc/74/25/94/366742594.db2.gz VTPVSEVKSZMSMO-INIZCTEOSA-N 2 1 267.461 2.134 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CCC1CC[NH2+]CC1 ZINC000237078116 370687841 /nfs/dbraw/zinc/68/78/41/370687841.db2.gz OUZXCVDJOARSHE-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000182386367 189322056 /nfs/dbraw/zinc/32/20/56/189322056.db2.gz WDPJYOCGMXEZKK-KRWDZBQOSA-N 2 1 276.424 2.477 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000580090618 366749236 /nfs/dbraw/zinc/74/92/36/366749236.db2.gz FGSRURKUMHSQNP-KRWDZBQOSA-N 2 1 276.424 2.179 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000580090618 366749238 /nfs/dbraw/zinc/74/92/38/366749238.db2.gz FGSRURKUMHSQNP-KRWDZBQOSA-N 2 1 276.424 2.179 20 0 CEADMP CCc1nc([C@@H]2CCCCN2CCn2cc[nH+]c2C)no1 ZINC000677981145 541064625 /nfs/dbraw/zinc/06/46/25/541064625.db2.gz VRHKTTZPAPERPM-ZDUSSCGKSA-N 2 1 289.383 2.364 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000580254814 366770363 /nfs/dbraw/zinc/77/03/63/366770363.db2.gz GJKMSXCTZLQOKW-UGUYLWEFSA-N 2 1 297.487 2.484 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000581543921 366792690 /nfs/dbraw/zinc/79/26/90/366792690.db2.gz ZWTKBLUVBARJNP-IAGOWNOFSA-N 2 1 282.472 2.495 20 0 CEADMP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000638699946 370695455 /nfs/dbraw/zinc/69/54/55/370695455.db2.gz DKWUROHDVPRPEF-BLNMRFBMSA-N 2 1 293.455 2.039 20 0 CEADMP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000638699946 370695457 /nfs/dbraw/zinc/69/54/57/370695457.db2.gz DKWUROHDVPRPEF-BLNMRFBMSA-N 2 1 293.455 2.039 20 0 CEADMP CO[C@]1(C)C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1(C)C ZINC000155131420 366808370 /nfs/dbraw/zinc/80/83/70/366808370.db2.gz SNVIFBMYIJZYKX-KYEXWDHISA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@]1(C)C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1(C)C ZINC000155131420 366808372 /nfs/dbraw/zinc/80/83/72/366808372.db2.gz SNVIFBMYIJZYKX-KYEXWDHISA-N 2 1 254.418 2.262 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000340238430 366814747 /nfs/dbraw/zinc/81/47/47/366814747.db2.gz IWPCAUTUPSYQMI-GDBMZVCRSA-N 2 1 296.842 2.173 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](n2ccnc2)C1 ZINC000678076328 541077966 /nfs/dbraw/zinc/07/79/66/541077966.db2.gz XGZRATQGIDIUTN-CABCVRRESA-N 2 1 262.401 2.004 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](n2ccnc2)C1 ZINC000678076328 541077969 /nfs/dbraw/zinc/07/79/69/541077969.db2.gz XGZRATQGIDIUTN-CABCVRRESA-N 3 1 262.401 2.004 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](n2ccnc2)C1 ZINC000678076328 541077970 /nfs/dbraw/zinc/07/79/70/541077970.db2.gz XGZRATQGIDIUTN-CABCVRRESA-N 3 1 262.401 2.004 20 0 CEADMP CC[N@@H+](CCOC)Cc1ccc(C[NH+](C)C)cc1 ZINC000678133797 541086401 /nfs/dbraw/zinc/08/64/01/541086401.db2.gz DHXNAOFZXKAHPI-UHFFFAOYSA-N 2 1 250.386 2.217 20 0 CEADMP CCc1ccc(CC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000084132334 363797850 /nfs/dbraw/zinc/79/78/50/363797850.db2.gz LODVYXDCLVNKMN-KRWDZBQOSA-N 2 1 258.409 2.477 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc2c(c1)OCCCO2 ZINC000019959034 361570494 /nfs/dbraw/zinc/57/04/94/361570494.db2.gz FIKAXRXCFGZYKP-ZDUSSCGKSA-N 2 1 278.396 2.450 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2-n2cncn2)CC[N@@H+]1C ZINC000678278105 541110629 /nfs/dbraw/zinc/11/06/29/541110629.db2.gz MNBMWSKTVJWSKN-GDBMZVCRSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2-n2cncn2)CC[N@H+]1C ZINC000678278105 541110633 /nfs/dbraw/zinc/11/06/33/541110633.db2.gz MNBMWSKTVJWSKN-GDBMZVCRSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2-n2cncn2)CC[NH+]1C ZINC000678278105 541110635 /nfs/dbraw/zinc/11/06/35/541110635.db2.gz MNBMWSKTVJWSKN-GDBMZVCRSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2-n2cncn2)CC[NH+]1C ZINC000678278105 541110639 /nfs/dbraw/zinc/11/06/39/541110639.db2.gz MNBMWSKTVJWSKN-GDBMZVCRSA-N 2 1 299.422 2.182 20 0 CEADMP CC1(C)CCc2cc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)ccc2O1 ZINC000678342728 541118929 /nfs/dbraw/zinc/11/89/29/541118929.db2.gz FGOBKAYTBJYSDC-HZPDHXFCSA-N 2 1 286.419 2.441 20 0 CEADMP C[N@@H+]1CC=C(CNc2ccnc(C(C)(C)C)n2)CC1 ZINC000678831848 541180073 /nfs/dbraw/zinc/18/00/73/541180073.db2.gz XTZVDYDPBBQIHC-UHFFFAOYSA-N 2 1 260.385 2.448 20 0 CEADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)CCCCO ZINC000679338957 541259878 /nfs/dbraw/zinc/25/98/78/541259878.db2.gz LAZFNOKSAMJDEE-XUWVNRHRSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)CCCCO ZINC000679338957 541259880 /nfs/dbraw/zinc/25/98/80/541259880.db2.gz LAZFNOKSAMJDEE-XUWVNRHRSA-N 2 1 270.461 2.494 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCCCO)C1 ZINC000679356643 541263462 /nfs/dbraw/zinc/26/34/62/541263462.db2.gz FDCGLGOSVUIUDS-JKSUJKDBSA-N 2 1 270.461 2.495 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)[C@H](C)C1 ZINC000090084851 364038984 /nfs/dbraw/zinc/03/89/84/364038984.db2.gz RGXZATNPTFAIFH-MGPQQGTHSA-N 2 1 256.434 2.103 20 0 CEADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cccnc2)CC1 ZINC000092744903 364102716 /nfs/dbraw/zinc/10/27/16/364102716.db2.gz AKIQUBXQNNFHID-CQSZACIVSA-N 2 1 277.412 2.233 20 0 CEADMP CC(C)(O)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000092800992 364107809 /nfs/dbraw/zinc/10/78/09/364107809.db2.gz KAZZPMNROJHTKL-UHFFFAOYSA-N 2 1 276.424 2.402 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000237531830 370729731 /nfs/dbraw/zinc/72/97/31/370729731.db2.gz KUFDFHMKGXSJEO-PBHICJAKSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H](C[NH2+]Cc1cc(C(N)=O)cs1)C[NH+]1CCCCC1 ZINC000093687485 364215205 /nfs/dbraw/zinc/21/52/05/364215205.db2.gz ULERYMPONOEYRK-GFCCVEGCSA-N 2 1 295.452 2.059 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094341624 364269571 /nfs/dbraw/zinc/26/95/71/364269571.db2.gz JJYGBHGKIADEMR-CABCVRRESA-N 2 1 262.397 2.351 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OC)C1 ZINC000093770570 364224846 /nfs/dbraw/zinc/22/48/46/364224846.db2.gz PVEHIAKQCDRTKE-CQSZACIVSA-N 2 1 262.397 2.469 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OC)C1 ZINC000093770570 364224854 /nfs/dbraw/zinc/22/48/54/364224854.db2.gz PVEHIAKQCDRTKE-CQSZACIVSA-N 2 1 262.397 2.469 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OC)C1 ZINC000093770570 364224861 /nfs/dbraw/zinc/22/48/61/364224861.db2.gz PVEHIAKQCDRTKE-CQSZACIVSA-N 2 1 262.397 2.469 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OC)C1 ZINC000093770570 364224867 /nfs/dbraw/zinc/22/48/67/364224867.db2.gz PVEHIAKQCDRTKE-CQSZACIVSA-N 2 1 262.397 2.469 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000094423803 364274018 /nfs/dbraw/zinc/27/40/18/364274018.db2.gz QVNVLKKSRWPERT-CHWSQXEVSA-N 2 1 254.418 2.264 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CC1([NH3+])CCCCC1 ZINC000335007113 364342394 /nfs/dbraw/zinc/34/23/94/364342394.db2.gz FHPDZMDTVFISLJ-ZDUSSCGKSA-N 2 1 262.401 2.049 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000335103802 364481652 /nfs/dbraw/zinc/48/16/52/364481652.db2.gz MJBVNOYLSKOQOX-CQSZACIVSA-N 2 1 252.402 2.162 20 0 CEADMP Cc1ncsc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000335147820 364542811 /nfs/dbraw/zinc/54/28/11/364542811.db2.gz QMNPDHZPBGEMLM-QWHCGFSZSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ccc(O)c(CNCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000103341096 364642441 /nfs/dbraw/zinc/64/24/41/364642441.db2.gz IGVWORYIDUBEDM-CQSZACIVSA-N 2 1 277.412 2.450 20 0 CEADMP Cc1ccc(O)c(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)n1 ZINC000103341096 364642446 /nfs/dbraw/zinc/64/24/46/364642446.db2.gz IGVWORYIDUBEDM-CQSZACIVSA-N 2 1 277.412 2.450 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH2+]CC2 ZINC000335275501 364676288 /nfs/dbraw/zinc/67/62/88/364676288.db2.gz BJEBCNXLTPZYBO-LLVKDONJSA-N 2 1 251.399 2.107 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000104100311 364677170 /nfs/dbraw/zinc/67/71/70/364677170.db2.gz FYCGPMUXHOMZFG-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP COc1ccccc1OCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000104100311 364677175 /nfs/dbraw/zinc/67/71/75/364677175.db2.gz FYCGPMUXHOMZFG-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP COc1ccccc1OCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104100311 364677178 /nfs/dbraw/zinc/67/71/78/364677178.db2.gz FYCGPMUXHOMZFG-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000104291343 364690801 /nfs/dbraw/zinc/69/08/01/364690801.db2.gz ZOQRLBYGSQCBKT-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)ccc21 ZINC000335634181 212347904 /nfs/dbraw/zinc/34/79/04/212347904.db2.gz MYQINWLFSOPCQN-HOTGVXAUSA-N 2 1 298.434 2.395 20 0 CEADMP Cc1cccn2c(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cnc12 ZINC000335637938 212353288 /nfs/dbraw/zinc/35/32/88/212353288.db2.gz YUJLUUFCESHEMB-HZPDHXFCSA-N 2 1 298.434 2.464 20 0 CEADMP Fc1cncc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335635998 212349835 /nfs/dbraw/zinc/34/98/35/212349835.db2.gz SOFAGOYTFYHHOB-KGLIPLIRSA-N 2 1 263.360 2.042 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@H]1CCCCC[C@H]1[NH3+])CCCC2 ZINC000335614343 364814330 /nfs/dbraw/zinc/81/43/30/364814330.db2.gz XRQRDAZYUVYFPK-HIFRSBDPSA-N 2 1 276.428 2.049 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000335640320 364817296 /nfs/dbraw/zinc/81/72/96/364817296.db2.gz YFUNUYQIUHTELO-DZGCQCFKSA-N 2 1 266.429 2.313 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2C)C1 ZINC000572253891 299354793 /nfs/dbraw/zinc/35/47/93/299354793.db2.gz DUQNTYKOGMFWII-CVEARBPZSA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000572253891 299354795 /nfs/dbraw/zinc/35/47/95/299354795.db2.gz DUQNTYKOGMFWII-CVEARBPZSA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000572253891 299354797 /nfs/dbraw/zinc/35/47/97/299354797.db2.gz DUQNTYKOGMFWII-CVEARBPZSA-N 2 1 276.424 2.097 20 0 CEADMP c1csc([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000335865983 365089772 /nfs/dbraw/zinc/08/97/72/365089772.db2.gz DAMCPRNCXUJNJM-CHWSQXEVSA-N 2 1 265.426 2.322 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccnc1 ZINC000275364580 193011979 /nfs/dbraw/zinc/01/19/79/193011979.db2.gz BLUAWPZJWGUPTO-QWHCGFSZSA-N 2 1 256.353 2.191 20 0 CEADMP CC(C)O[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000582179101 366875022 /nfs/dbraw/zinc/87/50/22/366875022.db2.gz JRPRLVRACLTQHU-LSDHHAIUSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)O[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000582179101 366875024 /nfs/dbraw/zinc/87/50/24/366875024.db2.gz JRPRLVRACLTQHU-LSDHHAIUSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)O[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000582179101 366875025 /nfs/dbraw/zinc/87/50/25/366875025.db2.gz JRPRLVRACLTQHU-LSDHHAIUSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H](C)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000120716688 365464482 /nfs/dbraw/zinc/46/44/82/365464482.db2.gz XSPMVVNKJOVJDS-CVEARBPZSA-N 2 1 267.461 2.134 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(F)c1 ZINC000275841960 193145131 /nfs/dbraw/zinc/14/51/31/193145131.db2.gz JOAKMRXAWAZBCO-HOTGVXAUSA-N 2 1 280.387 2.323 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000340474641 366898272 /nfs/dbraw/zinc/89/82/72/366898272.db2.gz LMOLAJOPTDXKLO-QWHCGFSZSA-N 2 1 250.390 2.181 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000340474641 366898279 /nfs/dbraw/zinc/89/82/79/366898279.db2.gz LMOLAJOPTDXKLO-QWHCGFSZSA-N 2 1 250.390 2.181 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340473895 366898360 /nfs/dbraw/zinc/89/83/60/366898360.db2.gz DYVAPNHELZWXEL-HOTGVXAUSA-N 3 1 267.461 2.182 20 0 CEADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340473895 366898367 /nfs/dbraw/zinc/89/83/67/366898367.db2.gz DYVAPNHELZWXEL-HOTGVXAUSA-N 2 1 267.461 2.182 20 0 CEADMP CC[C@H](C)[C@@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000340663447 366974632 /nfs/dbraw/zinc/97/46/32/366974632.db2.gz WXOJPTNAZKPRLV-JOYOIKCWSA-N 2 1 260.341 2.241 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cncc(Br)c1 ZINC000160568632 367018740 /nfs/dbraw/zinc/01/87/40/367018740.db2.gz YPILCDDLMWIWLA-SNVBAGLBSA-N 2 1 286.217 2.274 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000583199586 367013733 /nfs/dbraw/zinc/01/37/33/367013733.db2.gz VITVMTHCWAQZDH-QWHCGFSZSA-N 2 1 296.377 2.257 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000583199586 367013739 /nfs/dbraw/zinc/01/37/39/367013739.db2.gz VITVMTHCWAQZDH-QWHCGFSZSA-N 2 1 296.377 2.257 20 0 CEADMP C[C@@H](C[N@H+]1CC[C@H](c2nccn2C)C1)C(F)(F)F ZINC000583330216 367034191 /nfs/dbraw/zinc/03/41/91/367034191.db2.gz QPEWNCWRHNKSJK-UWVGGRQHSA-N 2 1 261.291 2.408 20 0 CEADMP CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000583331351 367034293 /nfs/dbraw/zinc/03/42/93/367034293.db2.gz AQMDEHNTMWHWQD-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)n1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000583492300 367056307 /nfs/dbraw/zinc/05/63/07/367056307.db2.gz BAIDFCMFRNXKRI-HIFRSBDPSA-N 2 1 264.417 2.236 20 0 CEADMP CC(C)n1cc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cn1 ZINC000583492300 367056311 /nfs/dbraw/zinc/05/63/11/367056311.db2.gz BAIDFCMFRNXKRI-HIFRSBDPSA-N 2 1 264.417 2.236 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCOC2)C1 ZINC000583290250 367026649 /nfs/dbraw/zinc/02/66/49/367026649.db2.gz PHOBWEVQHOLCHB-KKUMJFAQSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H]1c1ccccc1 ZINC000583945638 367121151 /nfs/dbraw/zinc/12/11/51/367121151.db2.gz BLJUVNLAVNXGKZ-JKSUJKDBSA-N 2 1 262.397 2.135 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@H]1c1ccccc1 ZINC000583945636 367121342 /nfs/dbraw/zinc/12/13/42/367121342.db2.gz BLJUVNLAVNXGKZ-HOTGVXAUSA-N 2 1 262.397 2.135 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)Nc1ccnc(C2CC2)n1 ZINC000341111274 367178304 /nfs/dbraw/zinc/17/83/04/367178304.db2.gz FBLJFKYOBRMLLH-LBPRGKRZSA-N 2 1 262.401 2.308 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)Cc2nccn2C)c1C ZINC000162327829 367151016 /nfs/dbraw/zinc/15/10/16/367151016.db2.gz FONBWUJLHUBUAJ-UHFFFAOYSA-N 2 1 274.368 2.073 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(CC[C@H]2CCC[NH+]2C)C1 ZINC000245605564 370848651 /nfs/dbraw/zinc/84/86/51/370848651.db2.gz JZSHVRXIXMMDRM-HZPDHXFCSA-N 3 1 267.461 2.134 20 0 CEADMP CCC[NH+](C)C[C@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245605564 370848656 /nfs/dbraw/zinc/84/86/56/370848656.db2.gz JZSHVRXIXMMDRM-HZPDHXFCSA-N 3 1 267.461 2.134 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ccnn2C)CC1 ZINC000163090309 367217749 /nfs/dbraw/zinc/21/77/49/367217749.db2.gz HYPDNGKAUGBREZ-UHFFFAOYSA-N 2 1 287.411 2.195 20 0 CEADMP CCC[NH+](C)C[C@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000245605564 370848660 /nfs/dbraw/zinc/84/86/60/370848660.db2.gz JZSHVRXIXMMDRM-HZPDHXFCSA-N 3 1 267.461 2.134 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000163254617 367226937 /nfs/dbraw/zinc/22/69/37/367226937.db2.gz LCBIZNYXPKNTHB-CABCVRRESA-N 2 1 262.397 2.351 20 0 CEADMP c1cncc(O[C@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000163310817 367230644 /nfs/dbraw/zinc/23/06/44/367230644.db2.gz SENCIELJBMJGMR-INIZCTEOSA-N 2 1 275.396 2.021 20 0 CEADMP c1cncc(O[C@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000163310817 367230646 /nfs/dbraw/zinc/23/06/46/367230646.db2.gz SENCIELJBMJGMR-INIZCTEOSA-N 2 1 275.396 2.021 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000163477069 367244200 /nfs/dbraw/zinc/24/42/00/367244200.db2.gz XCBYRGYFCHWSQD-ZBFHGGJFSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000163477069 367244204 /nfs/dbraw/zinc/24/42/04/367244204.db2.gz XCBYRGYFCHWSQD-ZBFHGGJFSA-N 2 1 284.407 2.289 20 0 CEADMP CCc1noc(CC)c1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166930347 367331992 /nfs/dbraw/zinc/33/19/92/367331992.db2.gz WORGLLHXEDRHIZ-VXGBXAGGSA-N 2 1 265.401 2.372 20 0 CEADMP COC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)C(C)C ZINC000164680023 367294134 /nfs/dbraw/zinc/29/41/34/367294134.db2.gz MRBMVHJTLHBLAT-CQSZACIVSA-N 2 1 253.390 2.232 20 0 CEADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000166679995 367327242 /nfs/dbraw/zinc/32/72/42/367327242.db2.gz JUSXUTXQWPXYIA-KFWWJZLASA-N 2 1 280.437 2.172 20 0 CEADMP C[NH+]1CCC([NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000631564319 367403171 /nfs/dbraw/zinc/40/31/71/367403171.db2.gz JLONFJAICQDAFA-HUUCEWRRSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)[C@H](C)O1 ZINC000631702162 367493222 /nfs/dbraw/zinc/49/32/22/367493222.db2.gz JCNZEJXYVCNEOJ-ULXLPNHUSA-N 2 1 252.402 2.015 20 0 CEADMP Cc1ccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)c(C[NH+](C)C)c1 ZINC000342590402 367437701 /nfs/dbraw/zinc/43/77/01/367437701.db2.gz SGUAIHJUGGHQHV-UKRRQHHQSA-N 2 1 289.423 2.193 20 0 CEADMP c1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)c2c(c1)COCC2 ZINC000631828388 367565576 /nfs/dbraw/zinc/56/55/76/367565576.db2.gz NVNPYAZSCPQUBQ-UHFFFAOYSA-N 2 1 272.392 2.087 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)CC[N@H+]1C ZINC000342813798 367550753 /nfs/dbraw/zinc/55/07/53/367550753.db2.gz UHDQPZXGTQBOBG-SWLSCSKDSA-N 2 1 272.396 2.178 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCCCO2)CC[C@@H]1C(F)(F)F ZINC000631830519 367568765 /nfs/dbraw/zinc/56/87/65/367568765.db2.gz UQAIDGLLKZIFDF-UTUOFQBUSA-N 2 1 280.334 2.015 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)CC[C@@H]1C(F)(F)F ZINC000631830519 367568768 /nfs/dbraw/zinc/56/87/68/367568768.db2.gz UQAIDGLLKZIFDF-UTUOFQBUSA-N 2 1 280.334 2.015 20 0 CEADMP COc1cc(Cl)ccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838863 367578385 /nfs/dbraw/zinc/57/83/85/367578385.db2.gz WEIWMDQUADFSTG-CMPLNLGQSA-N 2 1 268.788 2.375 20 0 CEADMP COc1cc(Cl)ccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838863 367578390 /nfs/dbraw/zinc/57/83/90/367578390.db2.gz WEIWMDQUADFSTG-CMPLNLGQSA-N 2 1 268.788 2.375 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000631838449 367579089 /nfs/dbraw/zinc/57/90/89/367579089.db2.gz OPXXCPHKHMEIST-ZYHUDNBSSA-N 2 1 283.213 2.476 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000631838449 367579093 /nfs/dbraw/zinc/57/90/93/367579093.db2.gz OPXXCPHKHMEIST-ZYHUDNBSSA-N 2 1 283.213 2.476 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](Cc2cccc3c2CCOC3)C1 ZINC000631834926 367573890 /nfs/dbraw/zinc/57/38/90/367573890.db2.gz IMQMYEUUEARRPC-MRXNPFEDSA-N 2 1 274.408 2.463 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000631834926 367573893 /nfs/dbraw/zinc/57/38/93/367573893.db2.gz IMQMYEUUEARRPC-MRXNPFEDSA-N 2 1 274.408 2.463 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631843665 367586352 /nfs/dbraw/zinc/58/63/52/367586352.db2.gz RIOZBCJQKNCGAH-HUUCEWRRSA-N 2 1 262.397 2.209 20 0 CEADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000631872608 367604364 /nfs/dbraw/zinc/60/43/64/367604364.db2.gz CWQYMQSSQSCQHW-CVEARBPZSA-N 2 1 278.440 2.410 20 0 CEADMP CC(C)[C@H]1CN(Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1C ZINC000631880240 367604965 /nfs/dbraw/zinc/60/49/65/367604965.db2.gz QEOGJPLEGJZWQQ-GOSISDBHSA-N 2 1 287.451 2.104 20 0 CEADMP CC(C)[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCN1C ZINC000631880240 367604967 /nfs/dbraw/zinc/60/49/67/367604967.db2.gz QEOGJPLEGJZWQQ-GOSISDBHSA-N 2 1 287.451 2.104 20 0 CEADMP CC(C)[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCN1C ZINC000631880240 367604969 /nfs/dbraw/zinc/60/49/69/367604969.db2.gz QEOGJPLEGJZWQQ-GOSISDBHSA-N 2 1 287.451 2.104 20 0 CEADMP Fc1ccccc1OCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886210 367608704 /nfs/dbraw/zinc/60/87/04/367608704.db2.gz HUXIGLRXTZAVPD-DZGCQCFKSA-N 2 1 278.371 2.278 20 0 CEADMP Fc1ccccc1OCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886210 367608711 /nfs/dbraw/zinc/60/87/11/367608711.db2.gz HUXIGLRXTZAVPD-DZGCQCFKSA-N 2 1 278.371 2.278 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)C1C[NH2+]C1 ZINC000335565778 299375271 /nfs/dbraw/zinc/37/52/71/299375271.db2.gz SGSLAMKVIYVKJL-IINYFYTJSA-N 2 1 264.344 2.237 20 0 CEADMP C[C@](CO)([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000682028396 541621122 /nfs/dbraw/zinc/62/11/22/541621122.db2.gz JRSIFIBVTFKCIB-QGZVFWFLSA-N 2 1 276.424 2.360 20 0 CEADMP COc1ccc(OC)c(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000358022967 370873519 /nfs/dbraw/zinc/87/35/19/370873519.db2.gz JFUNCWGQROLIKJ-XJKSGUPXSA-N 2 1 292.423 2.176 20 0 CEADMP C[C@H](CNC(=O)CCC1CC[NH2+]CC1)[N@H+]1CCC[C@H](C)C1 ZINC000245789447 370873789 /nfs/dbraw/zinc/87/37/89/370873789.db2.gz WXQDQCVLTHVGRY-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COC3(CCCCC3)O2)CC[N@H+]1C ZINC000245831948 370877053 /nfs/dbraw/zinc/87/70/53/370877053.db2.gz BWAJCOSVUOCPIM-ILXRZTDVSA-N 2 1 282.428 2.135 20 0 CEADMP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000358063242 370891011 /nfs/dbraw/zinc/89/10/11/370891011.db2.gz OEURVMVHJWMDPQ-GDBMZVCRSA-N 2 1 276.424 2.476 20 0 CEADMP CC1CC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000343864948 368046602 /nfs/dbraw/zinc/04/66/02/368046602.db2.gz RHZWGCNQEJRWOH-BDVYOWHSSA-N 2 1 274.408 2.012 20 0 CEADMP CC1CC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000343864948 368046610 /nfs/dbraw/zinc/04/66/10/368046610.db2.gz RHZWGCNQEJRWOH-BDVYOWHSSA-N 2 1 274.408 2.012 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000344120678 368108881 /nfs/dbraw/zinc/10/88/81/368108881.db2.gz BTEBJBRYPAAWIN-HOCLYGCPSA-N 2 1 265.445 2.076 20 0 CEADMP C[N@H+]1CC=C(C[NH2+]Cc2csc(C3CC3)n2)CC1 ZINC000345169735 368179139 /nfs/dbraw/zinc/17/91/39/368179139.db2.gz HEXJAMJWSDXVQS-UHFFFAOYSA-N 2 1 263.410 2.372 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2csc(C3CC3)n2)CC1 ZINC000345169735 368179142 /nfs/dbraw/zinc/17/91/42/368179142.db2.gz HEXJAMJWSDXVQS-UHFFFAOYSA-N 2 1 263.410 2.372 20 0 CEADMP OC1([C@@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)CC1 ZINC000572604956 299383844 /nfs/dbraw/zinc/38/38/44/299383844.db2.gz TZPINUPTLYXJGN-HNNXBMFYSA-N 2 1 266.429 2.242 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC000176276369 368218334 /nfs/dbraw/zinc/21/83/34/368218334.db2.gz RUNGKMODXCOCNJ-ZWKOTPCHSA-N 2 1 290.451 2.254 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000176276369 368218337 /nfs/dbraw/zinc/21/83/37/368218337.db2.gz RUNGKMODXCOCNJ-ZWKOTPCHSA-N 2 1 290.451 2.254 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000176276369 368218341 /nfs/dbraw/zinc/21/83/41/368218341.db2.gz RUNGKMODXCOCNJ-ZWKOTPCHSA-N 2 1 290.451 2.254 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000180550877 368386119 /nfs/dbraw/zinc/38/61/19/368386119.db2.gz QMWJWXYEMQCYQJ-CQSZACIVSA-N 2 1 292.471 2.491 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000180550877 368386120 /nfs/dbraw/zinc/38/61/20/368386120.db2.gz QMWJWXYEMQCYQJ-CQSZACIVSA-N 2 1 292.471 2.491 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000180550877 368386127 /nfs/dbraw/zinc/38/61/27/368386127.db2.gz QMWJWXYEMQCYQJ-CQSZACIVSA-N 2 1 292.471 2.491 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000180550877 368386133 /nfs/dbraw/zinc/38/61/33/368386133.db2.gz QMWJWXYEMQCYQJ-CQSZACIVSA-N 2 1 292.471 2.491 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(O)cc1 ZINC000682404626 541659665 /nfs/dbraw/zinc/65/96/65/541659665.db2.gz HHQQTCQHUXJCMR-HYVNUMGLSA-N 2 1 290.407 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(O)cc1 ZINC000682404626 541659668 /nfs/dbraw/zinc/65/96/68/541659668.db2.gz HHQQTCQHUXJCMR-HYVNUMGLSA-N 2 1 290.407 2.076 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@]1(C)CCCO1 ZINC000340185910 299387398 /nfs/dbraw/zinc/38/73/98/299387398.db2.gz FOPHAODUJCRVLF-YJNKXOJESA-N 2 1 252.402 2.160 20 0 CEADMP Cc1cccc(CC[NH+]2CCC3(CCC[N@H+]3C)CC2)n1 ZINC000335479055 212154060 /nfs/dbraw/zinc/15/40/60/212154060.db2.gz VOYODWDMAUPTCO-UHFFFAOYSA-N 2 1 273.424 2.493 20 0 CEADMP Cc1cccc(CC[NH+]2CCC3(CCC[N@@H+]3C)CC2)n1 ZINC000335479055 212154062 /nfs/dbraw/zinc/15/40/62/212154062.db2.gz VOYODWDMAUPTCO-UHFFFAOYSA-N 2 1 273.424 2.493 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1N(C)C ZINC000151948823 296122245 /nfs/dbraw/zinc/12/22/45/296122245.db2.gz MCVWUOOTVVOTGR-GFCCVEGCSA-N 2 1 267.392 2.494 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccnn1C ZINC000682643534 541691956 /nfs/dbraw/zinc/69/19/56/541691956.db2.gz PKKXEOLWPHNHPP-ZNMIVQPWSA-N 2 1 278.444 2.232 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000346277986 368618135 /nfs/dbraw/zinc/61/81/35/368618135.db2.gz NQURAZCJQUBQRN-CZUORRHYSA-N 2 1 279.428 2.358 20 0 CEADMP C[C@@H]1[C@H](NC2CC[NH+](C(C)(C)C)CC2)CCC[N@H+]1C ZINC000346325432 368637748 /nfs/dbraw/zinc/63/77/48/368637748.db2.gz HLGATDIRACQUKK-UKRRQHHQSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H]1[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CCCN1C ZINC000346325432 368637751 /nfs/dbraw/zinc/63/77/51/368637751.db2.gz HLGATDIRACQUKK-UKRRQHHQSA-N 2 1 267.461 2.322 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCCO2)C[C@@H]1C ZINC000346443640 368676828 /nfs/dbraw/zinc/67/68/28/368676828.db2.gz JTGZVIIPOCORJZ-KKUMJFAQSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CCCO2)C[C@@H]1C ZINC000346443640 368676834 /nfs/dbraw/zinc/67/68/34/368676834.db2.gz JTGZVIIPOCORJZ-KKUMJFAQSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2CCCO2)C[C@@H]1C ZINC000346443640 368676840 /nfs/dbraw/zinc/67/68/40/368676840.db2.gz JTGZVIIPOCORJZ-KKUMJFAQSA-N 2 1 254.418 2.360 20 0 CEADMP CCC[C@@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000346621498 368739095 /nfs/dbraw/zinc/73/90/95/368739095.db2.gz MIERLAORKZZSLO-CVEARBPZSA-N 2 1 297.487 2.297 20 0 CEADMP C[C@@H]1C[C@@H](N(CCC[NH3+])c2ccccc2F)CC[N@H+]1C ZINC000639037222 370916685 /nfs/dbraw/zinc/91/66/85/370916685.db2.gz GVSULUIXPZWRSI-KGLIPLIRSA-N 2 1 279.403 2.464 20 0 CEADMP COCCCOc1cccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000346692307 368774772 /nfs/dbraw/zinc/77/47/72/368774772.db2.gz YBWQGXAJOKOEAX-HOCLYGCPSA-N 2 1 292.423 2.271 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000346644889 368748698 /nfs/dbraw/zinc/74/86/98/368748698.db2.gz NNQLFFIWIZVYFC-RHSMWYFYSA-N 2 1 284.407 2.101 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000346644889 368748706 /nfs/dbraw/zinc/74/87/06/368748706.db2.gz NNQLFFIWIZVYFC-RHSMWYFYSA-N 2 1 284.407 2.101 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cnc21 ZINC000346651149 368752329 /nfs/dbraw/zinc/75/23/29/368752329.db2.gz GZBOFGYZMNFVPQ-TZMCWYRMSA-N 2 1 287.411 2.181 20 0 CEADMP CC(C)n1ncc2cc(C[N@@H+](C)CC(C)(C)C[NH3+])cnc21 ZINC000346657010 368755981 /nfs/dbraw/zinc/75/59/81/368755981.db2.gz SUMYRQWPYJCZFJ-UHFFFAOYSA-N 2 1 289.427 2.429 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCO2)[C@H](C)C1 ZINC000347357300 368806752 /nfs/dbraw/zinc/80/67/52/368806752.db2.gz LIZIRBNMKXAHJK-KBXIAJHMSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)N(C)C ZINC000634676531 368807455 /nfs/dbraw/zinc/80/74/55/368807455.db2.gz FOJZCEIOTPBWKV-WVMKXHBISA-N 2 1 278.400 2.423 20 0 CEADMP CC[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)[NH+](C)C ZINC000634676531 368807463 /nfs/dbraw/zinc/80/74/63/368807463.db2.gz FOJZCEIOTPBWKV-WVMKXHBISA-N 2 1 278.400 2.423 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000634680109 368809807 /nfs/dbraw/zinc/80/98/07/368809807.db2.gz KQYWQLYMZYGLTI-MRXNPFEDSA-N 2 1 298.471 2.423 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000347788922 368819923 /nfs/dbraw/zinc/81/99/23/368819923.db2.gz RQQCMGAEQHTPMH-QLFBSQMISA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000347788922 368819928 /nfs/dbraw/zinc/81/99/28/368819928.db2.gz RQQCMGAEQHTPMH-QLFBSQMISA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000347788922 368819933 /nfs/dbraw/zinc/81/99/33/368819933.db2.gz RQQCMGAEQHTPMH-QLFBSQMISA-N 2 1 268.445 2.200 20 0 CEADMP O[C@]1(C[NH2+][C@@H]2C[C@H]2C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634713244 368835125 /nfs/dbraw/zinc/83/51/25/368835125.db2.gz SMWYAJDKPYXEFP-KSZLIROESA-N 2 1 286.419 2.012 20 0 CEADMP O[C@]1(C[NH2+][C@@H]2C[C@H]2C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713244 368835128 /nfs/dbraw/zinc/83/51/28/368835128.db2.gz SMWYAJDKPYXEFP-KSZLIROESA-N 2 1 286.419 2.012 20 0 CEADMP CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000185650938 368837050 /nfs/dbraw/zinc/83/70/50/368837050.db2.gz OBNQEXLCVXGASG-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]([NH2+]CCn1ccnc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185672652 368840042 /nfs/dbraw/zinc/84/00/42/368840042.db2.gz ZYJGTTYPVDXBTL-GJZGRUSLSA-N 2 1 276.428 2.126 20 0 CEADMP O[C@]1(C[NH+]2CCCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634637660 368790306 /nfs/dbraw/zinc/79/03/06/368790306.db2.gz YUEAOXYUYPKQJM-SFHVURJKSA-N 2 1 288.435 2.499 20 0 CEADMP O[C@]1(C[NH+]2CCCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634637660 368790310 /nfs/dbraw/zinc/79/03/10/368790310.db2.gz YUEAOXYUYPKQJM-SFHVURJKSA-N 2 1 288.435 2.499 20 0 CEADMP c1ccc(CC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H]2CCOC2)cc1 ZINC000346985423 368795748 /nfs/dbraw/zinc/79/57/48/368795748.db2.gz PJENURUFGAJHLK-ZWKOTPCHSA-N 2 1 288.435 2.320 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000348024393 368862883 /nfs/dbraw/zinc/86/28/83/368862883.db2.gz XGKPQDDPSNSAAV-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348091918 368893100 /nfs/dbraw/zinc/89/31/00/368893100.db2.gz ZATGLOSMCOZPDG-RYUDHWBXSA-N 2 1 291.317 2.281 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348091910 368893133 /nfs/dbraw/zinc/89/31/33/368893133.db2.gz ZATGLOSMCOZPDG-NEPJUHHUSA-N 2 1 291.317 2.281 20 0 CEADMP C[C@@H]([NH2+]CCCCCO)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724072 368849553 /nfs/dbraw/zinc/84/95/53/368849553.db2.gz HFRWRERKYQBUCH-HUUCEWRRSA-N 2 1 268.445 2.392 20 0 CEADMP CCCCNC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185756802 368854695 /nfs/dbraw/zinc/85/46/95/368854695.db2.gz XZRVRSATHNCECA-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP CCCCNC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185756802 368854701 /nfs/dbraw/zinc/85/47/01/368854701.db2.gz XZRVRSATHNCECA-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP CCn1cc(CC[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cn1 ZINC000348258254 368973256 /nfs/dbraw/zinc/97/32/56/368973256.db2.gz WDGRBRQKYJSBKG-ZBFHGGJFSA-N 2 1 278.444 2.250 20 0 CEADMP CCn1cc(CC[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cn1 ZINC000348258254 368973261 /nfs/dbraw/zinc/97/32/61/368973261.db2.gz WDGRBRQKYJSBKG-ZBFHGGJFSA-N 2 1 278.444 2.250 20 0 CEADMP CCn1cc(CC[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cn1 ZINC000348258254 368973262 /nfs/dbraw/zinc/97/32/62/368973262.db2.gz WDGRBRQKYJSBKG-ZBFHGGJFSA-N 2 1 278.444 2.250 20 0 CEADMP CCN(CCC[NH+](C)C)C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000348162154 368929293 /nfs/dbraw/zinc/92/92/93/368929293.db2.gz ZFQDGGQQEIFKGB-ZNMIVQPWSA-N 2 1 283.460 2.048 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1(C)C ZINC000348312723 368998095 /nfs/dbraw/zinc/99/80/95/368998095.db2.gz REVZICVUXKJAFV-HUUCEWRRSA-N 2 1 281.488 2.427 20 0 CEADMP COCC(C)(C)CCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000348321187 369002341 /nfs/dbraw/zinc/00/23/41/369002341.db2.gz MJLZXPCLQVOOMN-KBPBESRZSA-N 2 1 256.434 2.369 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccn(C)n1 ZINC000635010336 369047059 /nfs/dbraw/zinc/04/70/59/369047059.db2.gz JSYHCFQHHQWXPD-STQMWFEESA-N 2 1 264.417 2.239 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000635011501 369048056 /nfs/dbraw/zinc/04/80/56/369048056.db2.gz PVCGJJKXZWCCHN-IRXDYDNUSA-N 3 1 285.435 2.049 20 0 CEADMP c1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000635011501 369048060 /nfs/dbraw/zinc/04/80/60/369048060.db2.gz PVCGJJKXZWCCHN-IRXDYDNUSA-N 2 1 285.435 2.049 20 0 CEADMP c1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000635011501 369048068 /nfs/dbraw/zinc/04/80/68/369048068.db2.gz PVCGJJKXZWCCHN-IRXDYDNUSA-N 2 1 285.435 2.049 20 0 CEADMP CCn1nc(C)c(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c1C ZINC000634997915 369028695 /nfs/dbraw/zinc/02/86/95/369028695.db2.gz WDEIQCNURUSQRT-DOMZBBRYSA-N 2 1 278.444 2.340 20 0 CEADMP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000635011380 369048578 /nfs/dbraw/zinc/04/85/78/369048578.db2.gz NJUWELAAEJEADF-ZIAGYGMSSA-N 2 1 276.428 2.239 20 0 CEADMP C[C@@H]1C[C@H](NCC[C@@H]([NH3+])Cc2ccccc2)CC[N@H+]1C ZINC000635004657 369039651 /nfs/dbraw/zinc/03/96/51/369039651.db2.gz FWUMICKMWNQIRT-DJIMGWMZSA-N 2 1 275.440 2.019 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008203 369044494 /nfs/dbraw/zinc/04/44/94/369044494.db2.gz RWWFVZUIHYNZDJ-GXTWGEPZSA-N 2 1 290.455 2.278 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634955230 368988925 /nfs/dbraw/zinc/98/89/25/368988925.db2.gz BLGCFLYUWHPJFQ-OAHLLOKOSA-N 2 1 284.407 2.451 20 0 CEADMP CC(C)[C@H]1CN([C@H]2C[C@H]([NH3+])c3ccccc32)CC[N@H+]1C ZINC000635013802 369052955 /nfs/dbraw/zinc/05/29/55/369052955.db2.gz VVMNLDRQKDIFNC-YESZJQIVSA-N 2 1 273.424 2.403 20 0 CEADMP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635264504 369121441 /nfs/dbraw/zinc/12/14/41/369121441.db2.gz PBGHMQAFCWZRDD-HNNXBMFYSA-N 2 1 275.396 2.171 20 0 CEADMP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635264504 369121445 /nfs/dbraw/zinc/12/14/45/369121445.db2.gz PBGHMQAFCWZRDD-HNNXBMFYSA-N 2 1 275.396 2.171 20 0 CEADMP CCC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635407602 369160833 /nfs/dbraw/zinc/16/08/33/369160833.db2.gz XDDSNDVSVSSKAF-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000682916701 541733825 /nfs/dbraw/zinc/73/38/25/541733825.db2.gz RCRLYPBAWBLFRG-GFCCVEGCSA-N 2 1 264.417 2.491 20 0 CEADMP C[C@H](NC(=O)[C@H]1CC[N@H+]1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000635605183 369242513 /nfs/dbraw/zinc/24/25/13/369242513.db2.gz KGAOBBKINLVVSI-DZGCQCFKSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](NC(=O)[C@H]1CC[N@H+]1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000635605185 369242578 /nfs/dbraw/zinc/24/25/78/369242578.db2.gz KGAOBBKINLVVSI-UKRRQHHQSA-N 2 1 295.471 2.096 20 0 CEADMP Fc1cc(OCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000683004667 541750744 /nfs/dbraw/zinc/75/07/44/541750744.db2.gz IHNJWKGABZNDPR-QWRGUYRKSA-N 2 1 284.762 2.009 20 0 CEADMP Cc1ccnc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000683017286 541752204 /nfs/dbraw/zinc/75/22/04/541752204.db2.gz DZOJKDZITAXMDW-YESZJQIVSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ccnc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000683017286 541752208 /nfs/dbraw/zinc/75/22/08/541752208.db2.gz DZOJKDZITAXMDW-YESZJQIVSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ccnc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000683017284 541752338 /nfs/dbraw/zinc/75/23/38/541752338.db2.gz DZOJKDZITAXMDW-IXDOHACOSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ccnc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000683017284 541752341 /nfs/dbraw/zinc/75/23/41/541752341.db2.gz DZOJKDZITAXMDW-IXDOHACOSA-N 2 1 289.423 2.074 20 0 CEADMP CCn1nccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000349185881 369260533 /nfs/dbraw/zinc/26/05/33/369260533.db2.gz JAXINDSLUWXXEO-HNNXBMFYSA-N 2 1 276.428 2.067 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000683228066 541777433 /nfs/dbraw/zinc/77/74/33/541777433.db2.gz QNVXEYFLRRPKHY-HUUCEWRRSA-N 2 1 290.407 2.243 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000683228066 541777434 /nfs/dbraw/zinc/77/74/34/541777434.db2.gz QNVXEYFLRRPKHY-HUUCEWRRSA-N 2 1 290.407 2.243 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCCOC1 ZINC000349368314 369312000 /nfs/dbraw/zinc/31/20/00/369312000.db2.gz OHEVQRTYVAFKJJ-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635834905 369367723 /nfs/dbraw/zinc/36/77/23/369367723.db2.gz IZSFGKTVDGDMME-INIZCTEOSA-N 2 1 289.423 2.214 20 0 CEADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635834905 369367727 /nfs/dbraw/zinc/36/77/27/369367727.db2.gz IZSFGKTVDGDMME-INIZCTEOSA-N 2 1 289.423 2.214 20 0 CEADMP CC[C@@]1(CO)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000189245990 369482928 /nfs/dbraw/zinc/48/29/28/369482928.db2.gz OHYSTXDJMVXVTD-MRXNPFEDSA-N 2 1 268.445 2.347 20 0 CEADMP [NH3+]Cc1ccc(-c2noc([C@H]3CCn4c[nH+]cc4C3)n2)cc1 ZINC000349922721 369454239 /nfs/dbraw/zinc/45/42/39/369454239.db2.gz SJCLTSBKHGWEHV-ZDUSSCGKSA-N 2 1 295.346 2.122 20 0 CEADMP COc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)sn1 ZINC000639080508 370953337 /nfs/dbraw/zinc/95/33/37/370953337.db2.gz BFJGUDOLLORVIC-UHFFFAOYSA-N 2 1 281.425 2.212 20 0 CEADMP COc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)sn1 ZINC000639080508 370953339 /nfs/dbraw/zinc/95/33/39/370953339.db2.gz BFJGUDOLLORVIC-UHFFFAOYSA-N 2 1 281.425 2.212 20 0 CEADMP CC1=CC[NH+](CCNC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000349988136 369477230 /nfs/dbraw/zinc/47/72/30/369477230.db2.gz CGIFEYKNTCPWFN-MRXNPFEDSA-N 2 1 293.455 2.019 20 0 CEADMP CC1=CC[N@H+](CCNC(=O)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000349988136 369477235 /nfs/dbraw/zinc/47/72/35/369477235.db2.gz CGIFEYKNTCPWFN-MRXNPFEDSA-N 2 1 293.455 2.019 20 0 CEADMP CC1=CC[N@@H+](CCNC(=O)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000349988136 369477240 /nfs/dbraw/zinc/47/72/40/369477240.db2.gz CGIFEYKNTCPWFN-MRXNPFEDSA-N 2 1 293.455 2.019 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc2c(s1)CCCC2 ZINC000358249616 370971983 /nfs/dbraw/zinc/97/19/83/370971983.db2.gz KOBUEIRILXMJQN-LRDDRELGSA-N 2 1 294.464 2.344 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc2c(s1)CCCC2 ZINC000358249616 370971988 /nfs/dbraw/zinc/97/19/88/370971988.db2.gz KOBUEIRILXMJQN-LRDDRELGSA-N 2 1 294.464 2.344 20 0 CEADMP CCC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000246472628 370966527 /nfs/dbraw/zinc/96/65/27/370966527.db2.gz GUVCLTCJSFFZQE-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000246472628 370966532 /nfs/dbraw/zinc/96/65/32/370966532.db2.gz GUVCLTCJSFFZQE-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCCc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358261817 370980366 /nfs/dbraw/zinc/98/03/66/370980366.db2.gz WPXBRPVMTWGEAU-RHSMWYFYSA-N 2 1 276.424 2.356 20 0 CEADMP CCCc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358261817 370980369 /nfs/dbraw/zinc/98/03/69/370980369.db2.gz WPXBRPVMTWGEAU-RHSMWYFYSA-N 2 1 276.424 2.356 20 0 CEADMP Cc1ncccc1Cc1noc([C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC000351235578 369629149 /nfs/dbraw/zinc/62/91/49/369629149.db2.gz OHKZKCVMMGRYGN-GWCFXTLKSA-N 2 1 272.352 2.029 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000351521519 369639736 /nfs/dbraw/zinc/63/97/36/369639736.db2.gz VCAWEBHTYOLWTO-BFJAYTPKSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351521519 369639741 /nfs/dbraw/zinc/63/97/41/369639741.db2.gz VCAWEBHTYOLWTO-BFJAYTPKSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351521519 369639746 /nfs/dbraw/zinc/63/97/46/369639746.db2.gz VCAWEBHTYOLWTO-BFJAYTPKSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351521519 369639751 /nfs/dbraw/zinc/63/97/51/369639751.db2.gz VCAWEBHTYOLWTO-BFJAYTPKSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351521519 369639754 /nfs/dbraw/zinc/63/97/54/369639754.db2.gz VCAWEBHTYOLWTO-BFJAYTPKSA-N 2 1 266.429 2.095 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000351592803 369642180 /nfs/dbraw/zinc/64/21/80/369642180.db2.gz AOBSRISWLWVSJB-SJORKVTESA-N 2 1 279.472 2.421 20 0 CEADMP C[C@@H]1C[C@@H](C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000352485213 369752986 /nfs/dbraw/zinc/75/29/86/369752986.db2.gz ARMTTYBJILFVFM-HIFRSBDPSA-N 2 1 289.423 2.417 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2cccc(C)c2)[C@H](C)C1 ZINC000191602381 369726406 /nfs/dbraw/zinc/72/64/06/369726406.db2.gz HPGXSPCUSJQPMS-NJAFHUGGSA-N 2 1 290.451 2.218 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352632118 369813305 /nfs/dbraw/zinc/81/33/05/369813305.db2.gz YLGIYAOYQJYFGD-OAGGEKHMSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352632118 369813308 /nfs/dbraw/zinc/81/33/08/369813308.db2.gz YLGIYAOYQJYFGD-OAGGEKHMSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352632118 369813312 /nfs/dbraw/zinc/81/33/12/369813312.db2.gz YLGIYAOYQJYFGD-OAGGEKHMSA-N 2 1 268.445 2.465 20 0 CEADMP Cc1cnn(C)c1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000352736785 369860094 /nfs/dbraw/zinc/86/00/94/369860094.db2.gz NGLUVFYJUCVUJA-AWEZNQCLSA-N 2 1 264.417 2.083 20 0 CEADMP CC[C@H](CSC)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352741771 369863514 /nfs/dbraw/zinc/86/35/14/369863514.db2.gz INNDMGIPIUIXGF-SNVBAGLBSA-N 2 1 273.471 2.436 20 0 CEADMP CCCC[NH+]1CCC(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000352748929 369866479 /nfs/dbraw/zinc/86/64/79/369866479.db2.gz NVJMKMIRVZYPCA-RHSMWYFYSA-N 2 1 279.472 2.323 20 0 CEADMP CCCC[NH+]1CCC([NH2+][C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000352748929 369866482 /nfs/dbraw/zinc/86/64/82/369866482.db2.gz NVJMKMIRVZYPCA-RHSMWYFYSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[C@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCCCC1 ZINC000352790803 369878005 /nfs/dbraw/zinc/87/80/05/369878005.db2.gz GIHCWWGQGBQZJZ-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[C@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCCCC1 ZINC000352790803 369878009 /nfs/dbraw/zinc/87/80/09/369878009.db2.gz GIHCWWGQGBQZJZ-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1sccc1Cl ZINC000193093895 369891976 /nfs/dbraw/zinc/89/19/76/369891976.db2.gz UVWZBIRREAXZTG-NSHDSACASA-N 2 1 287.860 2.127 20 0 CEADMP Cc1ccc(-c2n[nH]cc2CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000194538404 370048244 /nfs/dbraw/zinc/04/82/44/370048244.db2.gz RJHRFAWUWBYMEG-CALCHBBNSA-N 2 1 296.418 2.379 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000194538404 370048246 /nfs/dbraw/zinc/04/82/46/370048246.db2.gz RJHRFAWUWBYMEG-CALCHBBNSA-N 2 1 296.418 2.379 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000194538404 370048251 /nfs/dbraw/zinc/04/82/51/370048251.db2.gz RJHRFAWUWBYMEG-CALCHBBNSA-N 2 1 296.418 2.379 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](COC(F)F)C1 ZINC000353027248 369990249 /nfs/dbraw/zinc/99/02/49/369990249.db2.gz MXLGPRHZVPFLOY-OLZOCXBDSA-N 2 1 276.371 2.422 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353027248 369990252 /nfs/dbraw/zinc/99/02/52/369990252.db2.gz MXLGPRHZVPFLOY-OLZOCXBDSA-N 2 1 276.371 2.422 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353027248 369990254 /nfs/dbraw/zinc/99/02/54/369990254.db2.gz MXLGPRHZVPFLOY-OLZOCXBDSA-N 2 1 276.371 2.422 20 0 CEADMP CC[NH2+]Cc1ccccc1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000637809502 370081415 /nfs/dbraw/zinc/08/14/15/370081415.db2.gz ZPAXWXMFFSCUQI-CYBMUJFWSA-N 2 1 275.396 2.076 20 0 CEADMP COc1ccc2oc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc2c1 ZINC000194535021 370048889 /nfs/dbraw/zinc/04/88/89/370048889.db2.gz WQZFAAOSEIOEKV-OKILXGFUSA-N 2 1 286.375 2.435 20 0 CEADMP COc1ccc2oc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc2c1 ZINC000194535021 370048894 /nfs/dbraw/zinc/04/88/94/370048894.db2.gz WQZFAAOSEIOEKV-OKILXGFUSA-N 2 1 286.375 2.435 20 0 CEADMP COc1ccc2oc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)cc2c1 ZINC000194535021 370048898 /nfs/dbraw/zinc/04/88/98/370048898.db2.gz WQZFAAOSEIOEKV-OKILXGFUSA-N 2 1 286.375 2.435 20 0 CEADMP COc1ccc2oc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)cc2c1 ZINC000194535021 370048903 /nfs/dbraw/zinc/04/89/03/370048903.db2.gz WQZFAAOSEIOEKV-OKILXGFUSA-N 2 1 286.375 2.435 20 0 CEADMP COC1CCC(C[NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000353165144 370049580 /nfs/dbraw/zinc/04/95/80/370049580.db2.gz HIFHCRRZSJLHIK-UHFFFAOYSA-N 2 1 277.412 2.442 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000353164976 370049659 /nfs/dbraw/zinc/04/96/59/370049659.db2.gz RNMSOJMTNOKQRO-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[NH+]1CCCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000353164976 370049662 /nfs/dbraw/zinc/04/96/62/370049662.db2.gz RNMSOJMTNOKQRO-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[NH+]1CCCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000353164976 370049664 /nfs/dbraw/zinc/04/96/64/370049664.db2.gz RNMSOJMTNOKQRO-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CO[C@@](C)(C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000637930950 370178141 /nfs/dbraw/zinc/17/81/41/370178141.db2.gz WMNJHGSUYDMMAL-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@@](C)(C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000637930950 370178145 /nfs/dbraw/zinc/17/81/45/370178145.db2.gz WMNJHGSUYDMMAL-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP c1ccc([C@@H]2C[C@@H]2C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000353698966 370122441 /nfs/dbraw/zinc/12/24/41/370122441.db2.gz AADOIDYMERYNNW-VVLHAWIVSA-N 2 1 256.393 2.474 20 0 CEADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000353698966 370122447 /nfs/dbraw/zinc/12/24/47/370122447.db2.gz AADOIDYMERYNNW-VVLHAWIVSA-N 2 1 256.393 2.474 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000354108649 370218643 /nfs/dbraw/zinc/21/86/43/370218643.db2.gz WLLNMMWLXIYLFB-QGZVFWFLSA-N 2 1 292.423 2.325 20 0 CEADMP CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000222231518 370251818 /nfs/dbraw/zinc/25/18/18/370251818.db2.gz BOXOFHNINDMJGC-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C1CCSCC1 ZINC000354215513 370263214 /nfs/dbraw/zinc/26/32/14/370263214.db2.gz ITIQXNPNVUQJON-NSHDSACASA-N 2 1 253.415 2.313 20 0 CEADMP CCCCNC(=O)CC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354221008 370265434 /nfs/dbraw/zinc/26/54/34/370265434.db2.gz GGKTYQNVWMOSDC-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCCCNC(=O)CC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354221008 370265438 /nfs/dbraw/zinc/26/54/38/370265438.db2.gz GGKTYQNVWMOSDC-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCCCNC(=O)CC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354221008 370265440 /nfs/dbraw/zinc/26/54/40/370265440.db2.gz GGKTYQNVWMOSDC-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCCCNC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354221023 370265942 /nfs/dbraw/zinc/26/59/42/370265942.db2.gz GGKTYQNVWMOSDC-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCCNC(=O)CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354221023 370265947 /nfs/dbraw/zinc/26/59/47/370265947.db2.gz GGKTYQNVWMOSDC-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCCNC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354221023 370265950 /nfs/dbraw/zinc/26/59/50/370265950.db2.gz GGKTYQNVWMOSDC-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP c1ccc2c(c1)CC[C@H](C[N@@H+]1C[C@@H]3CCC[NH2+][C@@H]3C1)C2 ZINC000638088681 370291051 /nfs/dbraw/zinc/29/10/51/370291051.db2.gz FJLKYXDOVXWFPF-JCGIZDLHSA-N 2 1 270.420 2.475 20 0 CEADMP c1ccc2c(c1)CC[C@H](C[N@H+]1C[C@@H]3CCC[NH2+][C@@H]3C1)C2 ZINC000638088681 370291053 /nfs/dbraw/zinc/29/10/53/370291053.db2.gz FJLKYXDOVXWFPF-JCGIZDLHSA-N 2 1 270.420 2.475 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000354279694 370292394 /nfs/dbraw/zinc/29/23/94/370292394.db2.gz CRFRBQVPPWZDFI-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000354279694 370292400 /nfs/dbraw/zinc/29/24/00/370292400.db2.gz CRFRBQVPPWZDFI-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000354279694 370292403 /nfs/dbraw/zinc/29/24/03/370292403.db2.gz CRFRBQVPPWZDFI-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000227067183 370357768 /nfs/dbraw/zinc/35/77/68/370357768.db2.gz OOJFUHFNAZWNGH-RCCFBDPRSA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000227067183 370357772 /nfs/dbraw/zinc/35/77/72/370357772.db2.gz OOJFUHFNAZWNGH-RCCFBDPRSA-N 2 1 287.451 2.368 20 0 CEADMP CO[C@](C)(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000638177442 370358892 /nfs/dbraw/zinc/35/88/92/370358892.db2.gz KWAQLEAKSLVYAP-FVQBIDKESA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@](C)(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000638177442 370358895 /nfs/dbraw/zinc/35/88/95/370358895.db2.gz KWAQLEAKSLVYAP-FVQBIDKESA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@](C)(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1CC1 ZINC000638177442 370358898 /nfs/dbraw/zinc/35/88/98/370358898.db2.gz KWAQLEAKSLVYAP-FVQBIDKESA-N 2 1 266.429 2.218 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000354509945 370392109 /nfs/dbraw/zinc/39/21/09/370392109.db2.gz LPRZZANQNMFILY-AJNGGQMLSA-N 2 1 254.418 2.264 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000354509945 370392112 /nfs/dbraw/zinc/39/21/12/370392112.db2.gz LPRZZANQNMFILY-AJNGGQMLSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1ncsc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228533638 370405297 /nfs/dbraw/zinc/40/52/97/370405297.db2.gz ASEMXYSNRBBWFG-QJPTWQEYSA-N 2 1 251.399 2.011 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228538239 370407055 /nfs/dbraw/zinc/40/70/55/370407055.db2.gz PNWKMPDHCGRGIS-ARFHVFGLSA-N 2 1 288.391 2.032 20 0 CEADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000228724685 370413288 /nfs/dbraw/zinc/41/32/88/370413288.db2.gz WELNXUSJQRWEPI-OAHLLOKOSA-N 2 1 284.469 2.448 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000229092700 370419093 /nfs/dbraw/zinc/41/90/93/370419093.db2.gz NAMBBPFKWKHSQU-GJZGRUSLSA-N 2 1 262.397 2.291 20 0 CEADMP CC[C@](C)(C[NH2+]C[C@H](C)Cn1cc[nH+]c1C)OC ZINC000638334662 370452195 /nfs/dbraw/zinc/45/21/95/370452195.db2.gz DPUWEFUDSCCISO-GXTWGEPZSA-N 2 1 253.390 2.232 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000638335343 370453215 /nfs/dbraw/zinc/45/32/15/370453215.db2.gz MOZQZNZZLHHWMA-NTZNESFSSA-N 2 1 253.415 2.311 20 0 CEADMP CO[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000638358492 370468350 /nfs/dbraw/zinc/46/83/50/370468350.db2.gz CLZHGSUGMYOACL-AEFFLSMTSA-N 2 1 288.435 2.318 20 0 CEADMP C[C@H](C[NH2+]CCC[C@H]1CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638362713 370470845 /nfs/dbraw/zinc/47/08/45/370470845.db2.gz CSJDKOWFENHAFZ-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](C[NH2+]CCC[C@H]1CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000638362713 370470849 /nfs/dbraw/zinc/47/08/49/370470849.db2.gz CSJDKOWFENHAFZ-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)C[C@@H]21 ZINC000230045814 370437370 /nfs/dbraw/zinc/43/73/70/370437370.db2.gz UNNFBFVXWAGSKS-IXDOHACOSA-N 2 1 286.419 2.223 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccnc(OC)c2)C1 ZINC000638408746 370507645 /nfs/dbraw/zinc/50/76/45/370507645.db2.gz CXPUGLQSHBKEPM-GOEBONIOSA-N 2 1 291.439 2.343 20 0 CEADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000638413333 370512494 /nfs/dbraw/zinc/51/24/94/370512494.db2.gz TVAUXXZCWYAVPI-LVQVYYBASA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000638413333 370512497 /nfs/dbraw/zinc/51/24/97/370512497.db2.gz TVAUXXZCWYAVPI-LVQVYYBASA-N 2 1 295.471 2.144 20 0 CEADMP CO[C@]1(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC000638371228 370479366 /nfs/dbraw/zinc/47/93/66/370479366.db2.gz OYYZRPRQAZXKGJ-BBWFWOEESA-N 2 1 298.471 2.140 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000638378499 370485839 /nfs/dbraw/zinc/48/58/39/370485839.db2.gz XLCBHQVAUACIQJ-IMJJTQAJSA-N 2 1 289.423 2.238 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]CC2(COC)CCC2)C1 ZINC000638449750 370538791 /nfs/dbraw/zinc/53/87/91/370538791.db2.gz FMRKHXJUJZIEIE-CQSZACIVSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)C[NH3+] ZINC000235150984 370558317 /nfs/dbraw/zinc/55/83/17/370558317.db2.gz UBQBCKVZADXYES-ZJUUUORDSA-N 2 1 271.202 2.317 20 0 CEADMP CCN(CC[NH3+])C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000638517288 370584970 /nfs/dbraw/zinc/58/49/70/370584970.db2.gz QOBDWYJMIISYAY-UHFFFAOYSA-N 2 1 291.439 2.338 20 0 CEADMP C[C@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000358397612 371048917 /nfs/dbraw/zinc/04/89/17/371048917.db2.gz JWGFIAYDDOHLCR-YJBOKZPZSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000358397612 371048928 /nfs/dbraw/zinc/04/89/28/371048928.db2.gz JWGFIAYDDOHLCR-YJBOKZPZSA-N 2 1 287.451 2.191 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000358398964 371049424 /nfs/dbraw/zinc/04/94/24/371049424.db2.gz XQDNBHWLBVSCGX-UONOGXRCSA-N 2 1 283.460 2.142 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000358321127 371013233 /nfs/dbraw/zinc/01/32/33/371013233.db2.gz QPASJQOGUCCOFF-MRXNPFEDSA-N 2 1 296.455 2.179 20 0 CEADMP CCn1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000246841940 371020451 /nfs/dbraw/zinc/02/04/51/371020451.db2.gz BQZGKWCVEAWDOV-AEGPPILISA-N 2 1 264.417 2.426 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000358344703 371025561 /nfs/dbraw/zinc/02/55/61/371025561.db2.gz XMCOISYBKYGOBJ-ZACQAIPSSA-N 2 1 281.488 2.284 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000358344703 371025574 /nfs/dbraw/zinc/02/55/74/371025574.db2.gz XMCOISYBKYGOBJ-ZACQAIPSSA-N 2 1 281.488 2.284 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000358344703 371025581 /nfs/dbraw/zinc/02/55/81/371025581.db2.gz XMCOISYBKYGOBJ-ZACQAIPSSA-N 2 1 281.488 2.284 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000358344703 371025586 /nfs/dbraw/zinc/02/55/86/371025586.db2.gz XMCOISYBKYGOBJ-ZACQAIPSSA-N 3 1 281.488 2.284 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000358344703 371025596 /nfs/dbraw/zinc/02/55/96/371025596.db2.gz XMCOISYBKYGOBJ-ZACQAIPSSA-N 3 1 281.488 2.284 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000358344703 371025603 /nfs/dbraw/zinc/02/56/03/371025603.db2.gz XMCOISYBKYGOBJ-ZACQAIPSSA-N 3 1 281.488 2.284 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000358344703 371025612 /nfs/dbraw/zinc/02/56/12/371025612.db2.gz XMCOISYBKYGOBJ-ZACQAIPSSA-N 3 1 281.488 2.284 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C)C[C@H]2C)C1 ZINC000358344703 371025623 /nfs/dbraw/zinc/02/56/23/371025623.db2.gz XMCOISYBKYGOBJ-ZACQAIPSSA-N 2 1 281.488 2.284 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C)C[C@H]2C)C1 ZINC000358344703 371025630 /nfs/dbraw/zinc/02/56/30/371025630.db2.gz XMCOISYBKYGOBJ-ZACQAIPSSA-N 2 1 281.488 2.284 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000246890780 371027075 /nfs/dbraw/zinc/02/70/75/371027075.db2.gz FKHHTNRRBICYEA-ULQDDVLXSA-N 2 1 298.471 2.282 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000246893755 371027531 /nfs/dbraw/zinc/02/75/31/371027531.db2.gz HICCBFQHRBPLKT-SUMWQHHRSA-N 2 1 289.423 2.465 20 0 CEADMP Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358405642 371052052 /nfs/dbraw/zinc/05/20/52/371052052.db2.gz RFYQAMXOZAASNB-RDBSUJKOSA-N 2 1 280.437 2.306 20 0 CEADMP Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358405642 371052055 /nfs/dbraw/zinc/05/20/55/371052055.db2.gz RFYQAMXOZAASNB-RDBSUJKOSA-N 2 1 280.437 2.306 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(C)n1 ZINC000639170052 371042675 /nfs/dbraw/zinc/04/26/75/371042675.db2.gz OWYCANACCPIROR-WFASDCNBSA-N 2 1 276.428 2.474 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(C)n1 ZINC000639170052 371042677 /nfs/dbraw/zinc/04/26/77/371042677.db2.gz OWYCANACCPIROR-WFASDCNBSA-N 2 1 276.428 2.474 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CCC2CCOCC2)C1 ZINC000639178321 371057062 /nfs/dbraw/zinc/05/70/62/371057062.db2.gz KDEDXADEAIYBOC-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CCC2CCOCC2)C1 ZINC000639178321 371057065 /nfs/dbraw/zinc/05/70/65/371057065.db2.gz KDEDXADEAIYBOC-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CCC2CCOCC2)C1 ZINC000639178321 371057068 /nfs/dbraw/zinc/05/70/68/371057068.db2.gz KDEDXADEAIYBOC-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CC[C@H](C)[C@@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)OC ZINC000639205431 371092376 /nfs/dbraw/zinc/09/23/76/371092376.db2.gz ZCOVUDVWLAIGIG-ZNMIVQPWSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@H](C)[C@@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000639205431 371092379 /nfs/dbraw/zinc/09/23/79/371092379.db2.gz ZCOVUDVWLAIGIG-ZNMIVQPWSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@H](C)[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000639205431 371092385 /nfs/dbraw/zinc/09/23/85/371092385.db2.gz ZCOVUDVWLAIGIG-ZNMIVQPWSA-N 2 1 254.418 2.075 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cccn(C(F)F)c1=O)C1CC1 ZINC000639244776 371141479 /nfs/dbraw/zinc/14/14/79/371141479.db2.gz PFAYTQVTPUYYGV-UHFFFAOYSA-N 2 1 299.365 2.207 20 0 CEADMP Cc1cnc(C[NH2+]CCCCC[NH+]2CCCC2)o1 ZINC000639210153 371099889 /nfs/dbraw/zinc/09/98/89/371099889.db2.gz IPMJTMLEROGBNN-UHFFFAOYSA-N 2 1 251.374 2.339 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247940349 371148805 /nfs/dbraw/zinc/14/88/05/371148805.db2.gz CYGSOQXVSSHILW-QWHCGFSZSA-N 2 1 270.417 2.038 20 0 CEADMP CO[C@](C)(C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000639257153 371155754 /nfs/dbraw/zinc/15/57/54/371155754.db2.gz JQEAPXQOXMFSDW-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H](O)C(F)F)CC2)C1 ZINC000358657188 371159202 /nfs/dbraw/zinc/15/92/02/371159202.db2.gz ZCRRWTKAMAOWJP-MRVWCRGKSA-N 2 1 290.398 2.245 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C12CCC2 ZINC000248139287 371163384 /nfs/dbraw/zinc/16/33/84/371163384.db2.gz PLIPFZVHKXTYIY-ZQDZILKHSA-N 2 1 266.429 2.406 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C12CCC2 ZINC000248139287 371163390 /nfs/dbraw/zinc/16/33/90/371163390.db2.gz PLIPFZVHKXTYIY-ZQDZILKHSA-N 2 1 266.429 2.406 20 0 CEADMP Cc1csc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000248127697 371163953 /nfs/dbraw/zinc/16/39/53/371163953.db2.gz OCTHFRRBXNOKTM-QWHCGFSZSA-N 2 1 265.426 2.368 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000248410189 371188304 /nfs/dbraw/zinc/18/83/04/371188304.db2.gz XPFUIKVQVALQQP-JYYAWHABSA-N 2 1 295.471 2.001 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000358687472 371174405 /nfs/dbraw/zinc/17/44/05/371174405.db2.gz ICLKLRFRFCNTEM-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC2OCCO2)C1 ZINC000248640773 371229021 /nfs/dbraw/zinc/22/90/21/371229021.db2.gz YEXZKOROLXFGCF-CVEARBPZSA-N 2 1 296.455 2.336 20 0 CEADMP OCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000639336836 371246924 /nfs/dbraw/zinc/24/69/24/371246924.db2.gz GASFSIGZOJPETD-GOSISDBHSA-N 2 1 288.435 2.391 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CSC1 ZINC000639360333 371271561 /nfs/dbraw/zinc/27/15/61/371271561.db2.gz VLZJLPJRVQBXEJ-ZFWWWQNUSA-N 2 1 276.449 2.460 20 0 CEADMP O[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC000249266019 371307964 /nfs/dbraw/zinc/30/79/64/371307964.db2.gz IMEQVUPJQAOOPM-STQMWFEESA-N 2 1 294.361 2.250 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC000249266019 371307971 /nfs/dbraw/zinc/30/79/71/371307971.db2.gz IMEQVUPJQAOOPM-STQMWFEESA-N 2 1 294.361 2.250 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCc2ccccc2C)[C@H](CN)C1 ZINC000359052923 371318648 /nfs/dbraw/zinc/31/86/48/371318648.db2.gz HFIZQRIEHNLCIA-DLBZAZTESA-N 2 1 276.424 2.366 20 0 CEADMP CO[C@@H]1CC[N@H+](CCCc2ccccc2C)[C@H](C[NH3+])C1 ZINC000359052923 371318659 /nfs/dbraw/zinc/31/86/59/371318659.db2.gz HFIZQRIEHNLCIA-DLBZAZTESA-N 2 1 276.424 2.366 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCc2ccccc2C)[C@H](C[NH3+])C1 ZINC000359052923 371318663 /nfs/dbraw/zinc/31/86/63/371318663.db2.gz HFIZQRIEHNLCIA-DLBZAZTESA-N 2 1 276.424 2.366 20 0 CEADMP C[N@@H+](C[C@@H]1CC(C)(C)CO1)C[C@H]1CCC[NH+](C)C1 ZINC000639494799 371360823 /nfs/dbraw/zinc/36/08/23/371360823.db2.gz MCGJTLNYKUQOOF-KBPBESRZSA-N 2 1 254.418 2.075 20 0 CEADMP C[NH+](C[C@@H]1CC(C)(C)CO1)C[C@H]1CCC[N@H+](C)C1 ZINC000639494799 371360824 /nfs/dbraw/zinc/36/08/24/371360824.db2.gz MCGJTLNYKUQOOF-KBPBESRZSA-N 2 1 254.418 2.075 20 0 CEADMP C[NH+](C[C@@H]1CC(C)(C)CO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000639494799 371360827 /nfs/dbraw/zinc/36/08/27/371360827.db2.gz MCGJTLNYKUQOOF-KBPBESRZSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639505720 371368876 /nfs/dbraw/zinc/36/88/76/371368876.db2.gz SLHFBZADXXJVEL-LSDHHAIUSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)C[C@H]1n1ccnc1 ZINC000639542092 371393960 /nfs/dbraw/zinc/39/39/60/371393960.db2.gz CZPCJDRCJUKCOJ-TZMCWYRMSA-N 2 1 272.352 2.067 20 0 CEADMP Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250947219 371394557 /nfs/dbraw/zinc/39/45/57/371394557.db2.gz CMKJFXIUUHQNIK-NWANDNLSSA-N 2 1 263.385 2.302 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000359252242 371394763 /nfs/dbraw/zinc/39/47/63/371394763.db2.gz OOPPAAYQUQWQDL-OAGGEKHMSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc[nH]c(=O)c2)CC1 ZINC000639510127 371372783 /nfs/dbraw/zinc/37/27/83/371372783.db2.gz WPYLMLXMGDWAIV-UHFFFAOYSA-N 2 1 263.385 2.093 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCO[C@@H]2C)C[C@@H]1C ZINC000639509973 371373010 /nfs/dbraw/zinc/37/30/10/371373010.db2.gz RSLCURUKBLTRAN-XGUBFFRZSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCO[C@@H]2C)C[C@@H]1C ZINC000639509973 371373016 /nfs/dbraw/zinc/37/30/16/371373016.db2.gz RSLCURUKBLTRAN-XGUBFFRZSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCO[C@@H]2C)C[C@@H]1C ZINC000639509973 371373020 /nfs/dbraw/zinc/37/30/20/371373020.db2.gz RSLCURUKBLTRAN-XGUBFFRZSA-N 2 1 254.418 2.216 20 0 CEADMP Cc1csc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000252857374 371483621 /nfs/dbraw/zinc/48/36/21/371483621.db2.gz LHNPTQYPRKKJIE-SDDRHHMPSA-N 2 1 251.399 2.011 20 0 CEADMP Cc1csc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000252857374 371483627 /nfs/dbraw/zinc/48/36/27/371483627.db2.gz LHNPTQYPRKKJIE-SDDRHHMPSA-N 2 1 251.399 2.011 20 0 CEADMP Cc1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)c1 ZINC000252667294 371465306 /nfs/dbraw/zinc/46/53/06/371465306.db2.gz IFRXSZICBKYAOH-DLBZAZTESA-N 2 1 274.408 2.256 20 0 CEADMP Cc1ccc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(C)c1 ZINC000252667294 371465308 /nfs/dbraw/zinc/46/53/08/371465308.db2.gz IFRXSZICBKYAOH-DLBZAZTESA-N 2 1 274.408 2.256 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc(OC)c1 ZINC000253194806 371501885 /nfs/dbraw/zinc/50/18/85/371501885.db2.gz QTIACNHMVQYEGJ-GXTWGEPZSA-N 2 1 278.396 2.121 20 0 CEADMP CC[C@H](C[NH2+][C@@H](CC)[C@H]1CCOC1)[NH+]1CCCC1 ZINC000360061337 371501927 /nfs/dbraw/zinc/50/19/27/371501927.db2.gz ACKVNIMGRYUVFA-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000360329376 371512431 /nfs/dbraw/zinc/51/24/31/371512431.db2.gz LXVRPESJJYDRIX-YHUYYLMFSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000360329376 371512439 /nfs/dbraw/zinc/51/24/39/371512439.db2.gz LXVRPESJJYDRIX-YHUYYLMFSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000360329376 371512448 /nfs/dbraw/zinc/51/24/48/371512448.db2.gz LXVRPESJJYDRIX-YHUYYLMFSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC000360329376 371512454 /nfs/dbraw/zinc/51/24/54/371512454.db2.gz LXVRPESJJYDRIX-YHUYYLMFSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000360588773 371519447 /nfs/dbraw/zinc/51/94/47/371519447.db2.gz MANPOHXWXAVOJA-BQJWPVKWSA-N 2 1 281.488 2.283 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000360588773 371519450 /nfs/dbraw/zinc/51/94/50/371519450.db2.gz MANPOHXWXAVOJA-BQJWPVKWSA-N 2 1 281.488 2.283 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000360588773 371519454 /nfs/dbraw/zinc/51/94/54/371519454.db2.gz MANPOHXWXAVOJA-BQJWPVKWSA-N 2 1 281.488 2.283 20 0 CEADMP C[NH+]1CCC2(CC[N@H+](Cc3nnc(C(C)(C)C)[nH]3)C2)CC1 ZINC000639755842 371546385 /nfs/dbraw/zinc/54/63/85/371546385.db2.gz OOBUAMVSNZLURK-UHFFFAOYSA-N 2 1 291.443 2.020 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3nnc(C(C)(C)C)[nH]3)C2)CC1 ZINC000639755842 371546391 /nfs/dbraw/zinc/54/63/91/371546391.db2.gz OOBUAMVSNZLURK-UHFFFAOYSA-N 2 1 291.443 2.020 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCC[C@H]3CCOC3)C2)CC1 ZINC000639755162 371547250 /nfs/dbraw/zinc/54/72/50/371547250.db2.gz HAPCMTMVUJBARU-HNNXBMFYSA-N 2 1 266.429 2.221 20 0 CEADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763626 371550458 /nfs/dbraw/zinc/55/04/58/371550458.db2.gz XICNRLASDCPOMQ-DOTOQJQBSA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC1CC1 ZINC000360956093 371561245 /nfs/dbraw/zinc/56/12/45/371561245.db2.gz LJULCHNCTDSKAS-IJEWVQPXSA-N 2 1 295.471 2.144 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C)nc2)C1 ZINC000360986756 371583410 /nfs/dbraw/zinc/58/34/10/371583410.db2.gz MCMDHGHQKALLLX-KRWDZBQOSA-N 2 1 291.439 2.323 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000258815657 371619206 /nfs/dbraw/zinc/61/92/06/371619206.db2.gz CSTJSVMRMFDWLJ-NWDGAFQWSA-N 2 1 269.186 2.419 20 0 CEADMP C1CC1[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000361026260 371606587 /nfs/dbraw/zinc/60/65/87/371606587.db2.gz SGEWYIIYGVKNSN-QKPAOTATSA-N 2 1 264.413 2.160 20 0 CEADMP COCC[NH+]1CCC([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683766367 541856280 /nfs/dbraw/zinc/85/62/80/541856280.db2.gz VELHLYNXUFYKAJ-UHFFFAOYSA-N 2 1 299.418 2.435 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000361243986 371736991 /nfs/dbraw/zinc/73/69/91/371736991.db2.gz LJMRZRCADBZVCU-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH2+]C1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000261650476 371692661 /nfs/dbraw/zinc/69/26/61/371692661.db2.gz DEBHDRHIBLRSJN-UHFFFAOYSA-N 2 1 270.380 2.056 20 0 CEADMP CCOc1ccc(OCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261662974 371695613 /nfs/dbraw/zinc/69/56/13/371695613.db2.gz KSRMZKABCCTTFH-QGZVFWFLSA-N 2 1 290.407 2.150 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261662974 371695626 /nfs/dbraw/zinc/69/56/26/371695626.db2.gz KSRMZKABCCTTFH-QGZVFWFLSA-N 2 1 290.407 2.150 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000361264539 371748939 /nfs/dbraw/zinc/74/89/39/371748939.db2.gz ZQNHJNBQSDNTGG-GWCFXTLKSA-N 2 1 283.335 2.049 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000261870501 371754428 /nfs/dbraw/zinc/75/44/28/371754428.db2.gz QPXWIDDMRMHVPB-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H](C[NH3+])C3)s2)cn1 ZINC000261993926 371792858 /nfs/dbraw/zinc/79/28/58/371792858.db2.gz SPFYHEGSZWPLJG-LBPRGKRZSA-N 2 1 290.436 2.319 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262029372 371802577 /nfs/dbraw/zinc/80/25/77/371802577.db2.gz WZWUOJVJRSSOCH-CQSZACIVSA-N 2 1 270.380 2.043 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262029372 371802583 /nfs/dbraw/zinc/80/25/83/371802583.db2.gz WZWUOJVJRSSOCH-CQSZACIVSA-N 2 1 270.380 2.043 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000262033435 371805022 /nfs/dbraw/zinc/80/50/22/371805022.db2.gz XKUQMDJAKHXDMJ-JYJNAYRXSA-N 2 1 288.439 2.097 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000262050314 371812644 /nfs/dbraw/zinc/81/26/44/371812644.db2.gz ZOLDLJSTBYZNFJ-QWRGUYRKSA-N 2 1 276.409 2.307 20 0 CEADMP Cc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c(C)c1 ZINC000361466079 371861470 /nfs/dbraw/zinc/86/14/70/371861470.db2.gz YWGCLFZMZXUAEL-UHFFFAOYSA-N 2 1 276.424 2.240 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCCCCC[NH3+])[C@H](C)C1 ZINC000262651358 371891995 /nfs/dbraw/zinc/89/19/95/371891995.db2.gz ABEQRXYVKPDEQR-CABCVRRESA-N 2 1 283.460 2.084 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000361585544 371950596 /nfs/dbraw/zinc/95/05/96/371950596.db2.gz PWFLSAVENGXKPA-WMLDXEAASA-N 2 1 274.408 2.012 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000361585544 371950600 /nfs/dbraw/zinc/95/06/00/371950600.db2.gz PWFLSAVENGXKPA-WMLDXEAASA-N 2 1 274.408 2.012 20 0 CEADMP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530658 372021030 /nfs/dbraw/zinc/02/10/30/372021030.db2.gz FWMXHEWYVRVUKH-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC1(C)COC1 ZINC000640532481 372022488 /nfs/dbraw/zinc/02/24/88/372022488.db2.gz DXBQMEGYQASIPI-UHFFFAOYSA-N 2 1 254.418 2.221 20 0 CEADMP CO[C@@H](C[N@@H+](C)CCCC[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000640534283 372024304 /nfs/dbraw/zinc/02/43/04/372024304.db2.gz PDACDAXAYMNNFA-IRXDYDNUSA-N 2 1 298.471 2.236 20 0 CEADMP CCc1cnc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000361662226 372012068 /nfs/dbraw/zinc/01/20/68/372012068.db2.gz PNHSZVGTGKYSCS-YPMHNXCESA-N 2 1 267.442 2.178 20 0 CEADMP CCc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000361662225 372012137 /nfs/dbraw/zinc/01/21/37/372012137.db2.gz PNHSZVGTGKYSCS-DGCLKSJQSA-N 2 1 267.442 2.178 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccnc2)[C@@H](C)C1 ZINC000361866889 372106374 /nfs/dbraw/zinc/10/63/74/372106374.db2.gz CRNCFHVIIUKCFK-HOCLYGCPSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccnc2)[C@@H](C)C1 ZINC000361866889 372106383 /nfs/dbraw/zinc/10/63/83/372106383.db2.gz CRNCFHVIIUKCFK-HOCLYGCPSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccnc2)[C@@H](C)C1 ZINC000361866889 372106388 /nfs/dbraw/zinc/10/63/88/372106388.db2.gz CRNCFHVIIUKCFK-HOCLYGCPSA-N 2 1 261.413 2.286 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000361803649 372079017 /nfs/dbraw/zinc/07/90/17/372079017.db2.gz HWIVPNMRJZLRGD-OLZOCXBDSA-N 2 1 270.417 2.038 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]CCC[NH+]2CCCC2)c(C)n1 ZINC000268747929 372208130 /nfs/dbraw/zinc/20/81/30/372208130.db2.gz SWAJSPCCUKUDCW-LBPRGKRZSA-N 2 1 262.401 2.230 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)c1ccccc1F ZINC000268789990 372224128 /nfs/dbraw/zinc/22/41/28/372224128.db2.gz LSCLBOIMLSDFDE-BHTHQVBYSA-N 2 1 280.387 2.177 20 0 CEADMP CC[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268792735 372224243 /nfs/dbraw/zinc/22/42/43/372224243.db2.gz GVZCDWOZWYZUPX-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268792735 372224248 /nfs/dbraw/zinc/22/42/48/372224248.db2.gz GVZCDWOZWYZUPX-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268792735 372224255 /nfs/dbraw/zinc/22/42/55/372224255.db2.gz GVZCDWOZWYZUPX-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP CCOCC[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362106206 372225059 /nfs/dbraw/zinc/22/50/59/372225059.db2.gz NEBFQPUITNOSGZ-CQSZACIVSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1ccnc1 ZINC000268733269 372200894 /nfs/dbraw/zinc/20/08/94/372200894.db2.gz OZYGOZPXAJXULX-SJLPKXTDSA-N 2 1 298.434 2.383 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1ccnc1 ZINC000268733269 372200901 /nfs/dbraw/zinc/20/09/01/372200901.db2.gz OZYGOZPXAJXULX-SJLPKXTDSA-N 2 1 298.434 2.383 20 0 CEADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268916403 372285367 /nfs/dbraw/zinc/28/53/67/372285367.db2.gz VBBSBODXCNYQFY-YQQAZPJKSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268916403 372285373 /nfs/dbraw/zinc/28/53/73/372285373.db2.gz VBBSBODXCNYQFY-YQQAZPJKSA-N 2 1 276.424 2.400 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000362302087 372304319 /nfs/dbraw/zinc/30/43/19/372304319.db2.gz WLNAEAISERWZFF-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@](C)(CC)C2)CC1 ZINC000362391626 372345592 /nfs/dbraw/zinc/34/55/92/372345592.db2.gz SHJZNLIBASTNHN-RDJZCZTQSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@](C)(CC)C2)CC1 ZINC000362391626 372345597 /nfs/dbraw/zinc/34/55/97/372345597.db2.gz SHJZNLIBASTNHN-RDJZCZTQSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+](CCCn1ccnc1)CCC(=O)Nc1ccccc1 ZINC000269195131 372373358 /nfs/dbraw/zinc/37/33/58/372373358.db2.gz UMNGGXPYJIWEFY-UHFFFAOYSA-N 2 1 286.379 2.234 20 0 CEADMP CC[C@](C)([NH3+])c1cn(Cc2c(C)cc(C)[nH+]c2C)nn1 ZINC000641187448 372380199 /nfs/dbraw/zinc/38/01/99/372380199.db2.gz KVLAGSZQQMJOLC-HNNXBMFYSA-N 2 1 273.384 2.231 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(C[NH+]2CCCC2)nn1 ZINC000641167824 372362974 /nfs/dbraw/zinc/36/29/74/372362974.db2.gz ZLFWRSSSFWUWRC-INIZCTEOSA-N 2 1 291.443 2.137 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc(C[NH+]2CCCC2)nn1 ZINC000641167824 372362982 /nfs/dbraw/zinc/36/29/82/372362982.db2.gz ZLFWRSSSFWUWRC-INIZCTEOSA-N 2 1 291.443 2.137 20 0 CEADMP CCC[C@H]([NH3+])c1cn(C[C@H]2CCCC[N@H+]2C(C)C)nn1 ZINC000641167228 372363237 /nfs/dbraw/zinc/36/32/37/372363237.db2.gz GJSQXARVNCFTHY-KGLIPLIRSA-N 2 1 279.432 2.341 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000362746972 372511299 /nfs/dbraw/zinc/51/12/99/372511299.db2.gz XASBFTOXLJCMCV-FZMZJTMJSA-N 2 1 284.363 2.213 20 0 CEADMP CSCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363577594 372642299 /nfs/dbraw/zinc/64/22/99/372642299.db2.gz PWDKUDAJHPMSPN-HZSPNIEDSA-N 2 1 254.443 2.156 20 0 CEADMP CSCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363577594 372642303 /nfs/dbraw/zinc/64/23/03/372642303.db2.gz PWDKUDAJHPMSPN-HZSPNIEDSA-N 2 1 254.443 2.156 20 0 CEADMP CSCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363577594 372642309 /nfs/dbraw/zinc/64/23/09/372642309.db2.gz PWDKUDAJHPMSPN-HZSPNIEDSA-N 2 1 254.443 2.156 20 0 CEADMP COC(=O)c1occc1C[NH2+]CCCCn1cc[nH+]c1C ZINC000344519637 217218711 /nfs/dbraw/zinc/21/87/11/217218711.db2.gz GFRRXSJSAZPZLZ-UHFFFAOYSA-N 2 1 291.351 2.141 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@H]1CCC3(CCCC3)O1)C2 ZINC000641818399 372764684 /nfs/dbraw/zinc/76/46/84/372764684.db2.gz DFIDIBWMRIRGKK-FMKPAKJESA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CCC3(CCCC3)O1)C2 ZINC000641818399 372764691 /nfs/dbraw/zinc/76/46/91/372764691.db2.gz DFIDIBWMRIRGKK-FMKPAKJESA-N 2 1 264.413 2.291 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1F ZINC000641804994 372749732 /nfs/dbraw/zinc/74/97/32/372749732.db2.gz MIHWBHWRNIJAQN-BPNCWPANSA-N 2 1 293.386 2.177 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641807761 372753840 /nfs/dbraw/zinc/75/38/40/372753840.db2.gz RVLLMELNTLCVDX-MELADBBJSA-N 2 1 283.460 2.033 20 0 CEADMP Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641807942 372755139 /nfs/dbraw/zinc/75/51/39/372755139.db2.gz VYDPPECHWLEPQV-QWHCGFSZSA-N 2 1 295.814 2.302 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000641796609 372736696 /nfs/dbraw/zinc/73/66/96/372736696.db2.gz DFKPSTYTCGFVHR-LLVKDONJSA-N 2 1 284.306 2.049 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000641796609 372736700 /nfs/dbraw/zinc/73/67/00/372736700.db2.gz DFKPSTYTCGFVHR-LLVKDONJSA-N 2 1 284.306 2.049 20 0 CEADMP C[C@@H]1C[N@H+](Cc2nsc3ccccc32)C[C@H]1C[NH3+] ZINC000641825522 372769166 /nfs/dbraw/zinc/76/91/66/372769166.db2.gz YRFDYTRTJXFPBZ-GHMZBOCLSA-N 2 1 261.394 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nsc3ccccc32)C[C@H]1C[NH3+] ZINC000641825522 372769171 /nfs/dbraw/zinc/76/91/71/372769171.db2.gz YRFDYTRTJXFPBZ-GHMZBOCLSA-N 2 1 261.394 2.323 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cs1 ZINC000333205680 205115244 /nfs/dbraw/zinc/11/52/44/205115244.db2.gz YWIJPCQAKWHQIU-CABCVRRESA-N 2 1 295.452 2.170 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000270628824 372873014 /nfs/dbraw/zinc/87/30/14/372873014.db2.gz LIJLUEVKSHAIEB-KRWDZBQOSA-N 2 1 285.391 2.173 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000270628824 372873022 /nfs/dbraw/zinc/87/30/22/372873022.db2.gz LIJLUEVKSHAIEB-KRWDZBQOSA-N 2 1 285.391 2.173 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000353504986 220124215 /nfs/dbraw/zinc/12/42/15/220124215.db2.gz WEAITISZTQWBAX-NVXWUHKLSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1ncsc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353512466 220126941 /nfs/dbraw/zinc/12/69/41/220126941.db2.gz CUAAZLNRSLWKHP-XQQFMLRXSA-N 2 1 265.426 2.414 20 0 CEADMP C[C@H](CC1CC1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344747740 217298100 /nfs/dbraw/zinc/29/81/00/217298100.db2.gz NNZQVZSPRULTDT-CRAIPNDOSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H](CC1CC1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344747740 217298102 /nfs/dbraw/zinc/29/81/02/217298102.db2.gz NNZQVZSPRULTDT-CRAIPNDOSA-N 2 1 288.435 2.402 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000366649163 373102516 /nfs/dbraw/zinc/10/25/16/373102516.db2.gz CRXFAUHYUAATAY-OWCLPIDISA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000366649163 373102523 /nfs/dbraw/zinc/10/25/23/373102523.db2.gz CRXFAUHYUAATAY-OWCLPIDISA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000366649163 373102532 /nfs/dbraw/zinc/10/25/32/373102532.db2.gz CRXFAUHYUAATAY-OWCLPIDISA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1ccnn1C ZINC000643484229 373151557 /nfs/dbraw/zinc/15/15/57/373151557.db2.gz JXFBIRNJTWEVOB-ILXRZTDVSA-N 2 1 278.444 2.280 20 0 CEADMP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000643496185 373155634 /nfs/dbraw/zinc/15/56/34/373155634.db2.gz NFUWFSOKXUDWBD-CQSZACIVSA-N 2 1 252.308 2.294 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000643498123 373157481 /nfs/dbraw/zinc/15/74/81/373157481.db2.gz DRVOSQRPBPKKHV-JKSUJKDBSA-N 2 1 277.412 2.109 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000366769698 373123222 /nfs/dbraw/zinc/12/32/22/373123222.db2.gz HRYRRSBHHABWEV-FXUDXRNXSA-N 2 1 298.496 2.219 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457553 373128331 /nfs/dbraw/zinc/12/83/31/373128331.db2.gz MFBFCQHIWZJYBR-KURKYZTESA-N 2 1 287.451 2.368 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462800 373130372 /nfs/dbraw/zinc/13/03/72/373130372.db2.gz OPQBAHIXNQQZAK-OIISXLGYSA-N 2 1 279.472 2.371 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000353563980 220160489 /nfs/dbraw/zinc/16/04/89/220160489.db2.gz GVIALNIUPNVSRZ-AWEZNQCLSA-N 2 1 297.487 2.342 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000353563980 220160491 /nfs/dbraw/zinc/16/04/91/220160491.db2.gz GVIALNIUPNVSRZ-AWEZNQCLSA-N 2 1 297.487 2.342 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)s1 ZINC000643518420 373175902 /nfs/dbraw/zinc/17/59/02/373175902.db2.gz DVPANJWNTHGWDZ-ZWNOBZJWSA-N 2 1 253.415 2.492 20 0 CEADMP C1C[C@@H](N[C@@H]2CCC[NH2+]CC2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000643523090 373177686 /nfs/dbraw/zinc/17/76/86/373177686.db2.gz WRAQPZMQZGMSRF-QKPAOTATSA-N 2 1 265.445 2.029 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])ccc1SC ZINC000643526913 373182006 /nfs/dbraw/zinc/18/20/06/373182006.db2.gz BHOWCSSDRJTLCF-NXEZZACHSA-N 2 1 254.399 2.415 20 0 CEADMP C[C@H]([NH3+])CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000643527755 373185739 /nfs/dbraw/zinc/18/57/39/373185739.db2.gz RYOPVLGVTRLHDM-DZOHQFGASA-N 2 1 287.451 2.224 20 0 CEADMP C[C@H]([NH3+])CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000643527754 373185789 /nfs/dbraw/zinc/18/57/89/373185789.db2.gz RYOPVLGVTRLHDM-DZJNRPSUSA-N 2 1 287.451 2.224 20 0 CEADMP COC[C@@]1(C[NH2+][C@H](C)Cc2cccs2)CCC[NH2+]1 ZINC000643531763 373190340 /nfs/dbraw/zinc/19/03/40/373190340.db2.gz GWKONBRZDJOUQM-OCCSQVGLSA-N 2 1 268.426 2.037 20 0 CEADMP CC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cnn(C)c1 ZINC000643546623 373202645 /nfs/dbraw/zinc/20/26/45/373202645.db2.gz RVHWEBNDAIZCQY-UONOGXRCSA-N 2 1 262.401 2.136 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cncs1 ZINC000643546116 373203885 /nfs/dbraw/zinc/20/38/85/373203885.db2.gz IRYYNKKGNXZCIU-QWRGUYRKSA-N 2 1 251.399 2.468 20 0 CEADMP COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCCn1cc[nH+]c1C ZINC000272061160 373287056 /nfs/dbraw/zinc/28/70/56/373287056.db2.gz SAKDGZWGRGODOE-GOEBONIOSA-N 2 1 293.411 2.293 20 0 CEADMP C[N@@H+](Cc1cc(O)cc(F)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369281271 373376151 /nfs/dbraw/zinc/37/61/51/373376151.db2.gz VOSRIYBXHUNWGN-GFCCVEGCSA-N 2 1 289.354 2.422 20 0 CEADMP C[N@H+](Cc1cc(O)cc(F)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369281271 373376161 /nfs/dbraw/zinc/37/61/61/373376161.db2.gz VOSRIYBXHUNWGN-GFCCVEGCSA-N 2 1 289.354 2.422 20 0 CEADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(CO)cc1 ZINC000272341557 373439559 /nfs/dbraw/zinc/43/95/59/373439559.db2.gz OWXXWUGIEMDUJP-QGZVFWFLSA-N 2 1 276.424 2.485 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(CO)cc1 ZINC000272341557 373439564 /nfs/dbraw/zinc/43/95/64/373439564.db2.gz OWXXWUGIEMDUJP-QGZVFWFLSA-N 2 1 276.424 2.485 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(CO)cc1 ZINC000272341557 373439570 /nfs/dbraw/zinc/43/95/70/373439570.db2.gz OWXXWUGIEMDUJP-QGZVFWFLSA-N 2 1 276.424 2.485 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(CO)cc1 ZINC000272341557 373439578 /nfs/dbraw/zinc/43/95/78/373439578.db2.gz OWXXWUGIEMDUJP-QGZVFWFLSA-N 2 1 276.424 2.485 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC1(O)CCC(C)CC1 ZINC000644525405 373510773 /nfs/dbraw/zinc/51/07/73/373510773.db2.gz HRFVYUGDBAQQBJ-BBBYJDLNSA-N 2 1 279.428 2.358 20 0 CEADMP Cc1nnc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000353637422 220214912 /nfs/dbraw/zinc/21/49/12/220214912.db2.gz QCUGDNFOORZYCN-JTQLQIEISA-N 2 1 279.413 2.482 20 0 CEADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CCCCCC[NH3+] ZINC000370767661 373741649 /nfs/dbraw/zinc/74/16/49/373741649.db2.gz VFMXRZBTPBBQJK-CVEARBPZSA-N 2 1 295.471 2.371 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)ccn1 ZINC000371199132 373810734 /nfs/dbraw/zinc/81/07/34/373810734.db2.gz ROGGKXMJTUHMTJ-HNNXBMFYSA-N 2 1 298.390 2.419 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000371205401 373811874 /nfs/dbraw/zinc/81/18/74/373811874.db2.gz RMTLXXDDVHMLPE-GOEBONIOSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000371205401 373811876 /nfs/dbraw/zinc/81/18/76/373811876.db2.gz RMTLXXDDVHMLPE-GOEBONIOSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000371205401 373811884 /nfs/dbraw/zinc/81/18/84/373811884.db2.gz RMTLXXDDVHMLPE-GOEBONIOSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000371205401 373811889 /nfs/dbraw/zinc/81/18/89/373811889.db2.gz RMTLXXDDVHMLPE-GOEBONIOSA-N 2 1 276.428 2.350 20 0 CEADMP CCc1nc([C@@H]2CCCN(CC[C@@H]3CCC[N@H+]3C)C2)no1 ZINC000371200201 373812050 /nfs/dbraw/zinc/81/20/50/373812050.db2.gz ZDQKDSZZOQKUOI-KGLIPLIRSA-N 2 1 292.427 2.296 20 0 CEADMP CCc1nc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)no1 ZINC000371200201 373812061 /nfs/dbraw/zinc/81/20/61/373812061.db2.gz ZDQKDSZZOQKUOI-KGLIPLIRSA-N 2 1 292.427 2.296 20 0 CEADMP CCc1nc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)no1 ZINC000371200201 373812073 /nfs/dbraw/zinc/81/20/73/373812073.db2.gz ZDQKDSZZOQKUOI-KGLIPLIRSA-N 2 1 292.427 2.296 20 0 CEADMP CCc1nc([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)no1 ZINC000371200201 373812085 /nfs/dbraw/zinc/81/20/85/373812085.db2.gz ZDQKDSZZOQKUOI-KGLIPLIRSA-N 2 1 292.427 2.296 20 0 CEADMP CCc1nc([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)no1 ZINC000371200201 373812095 /nfs/dbraw/zinc/81/20/95/373812095.db2.gz ZDQKDSZZOQKUOI-KGLIPLIRSA-N 2 1 292.427 2.296 20 0 CEADMP c1ccc2c(NC[C@H]3C[N@H+]4CCCC[C@H]4CO3)cc[nH+]c2c1 ZINC000371283646 373830133 /nfs/dbraw/zinc/83/01/33/373830133.db2.gz LDLKPDVBWVANKB-GJZGRUSLSA-N 2 1 297.402 2.322 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CC2)n1 ZINC000371448854 373887650 /nfs/dbraw/zinc/88/76/50/373887650.db2.gz DCIWPDLYDAVTLH-WPPJOMGTSA-N 2 1 292.427 2.477 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)n1 ZINC000371448854 373887657 /nfs/dbraw/zinc/88/76/57/373887657.db2.gz DCIWPDLYDAVTLH-WPPJOMGTSA-N 2 1 292.427 2.477 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000371337132 373846792 /nfs/dbraw/zinc/84/67/92/373846792.db2.gz SJXDEWPKZHZUSS-QZTJIDSGSA-N 2 1 291.483 2.443 20 0 CEADMP CCCc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000274830494 374064603 /nfs/dbraw/zinc/06/46/03/374064603.db2.gz UFMOFACUCOFYFF-KRWDZBQOSA-N 2 1 276.424 2.185 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC[C@H]2CCOC2)C1 ZINC000645811432 374200400 /nfs/dbraw/zinc/20/04/00/374200400.db2.gz WKXNVYKPLDAHJL-DLBZAZTESA-N 2 1 280.456 2.467 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000645811432 374200405 /nfs/dbraw/zinc/20/04/05/374200405.db2.gz WKXNVYKPLDAHJL-DLBZAZTESA-N 2 1 280.456 2.467 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645811432 374200411 /nfs/dbraw/zinc/20/04/11/374200411.db2.gz WKXNVYKPLDAHJL-DLBZAZTESA-N 2 1 280.456 2.467 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccno1 ZINC000276985119 374368790 /nfs/dbraw/zinc/36/87/90/374368790.db2.gz AXWVWLGBNAVMBS-UHFFFAOYSA-N 2 1 262.357 2.346 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccno1 ZINC000276985119 374368797 /nfs/dbraw/zinc/36/87/97/374368797.db2.gz AXWVWLGBNAVMBS-UHFFFAOYSA-N 2 1 262.357 2.346 20 0 CEADMP Cc1c[nH+]ccc1NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000373518349 374372571 /nfs/dbraw/zinc/37/25/71/374372571.db2.gz CRWVMBNROKZDFR-PBHICJAKSA-N 2 1 299.422 2.040 20 0 CEADMP CC[NH+]1CCC([N@H+](C[C@@H](O)CC(F)(F)F)C2CC2)CC1 ZINC000373744046 374413188 /nfs/dbraw/zinc/41/31/88/374413188.db2.gz YLUQAPRVZCDYRS-ZDUSSCGKSA-N 2 1 294.361 2.248 20 0 CEADMP CC[NH+]1CCC([N@@H+](C[C@@H](O)CC(F)(F)F)C2CC2)CC1 ZINC000373744046 374413193 /nfs/dbraw/zinc/41/31/93/374413193.db2.gz YLUQAPRVZCDYRS-ZDUSSCGKSA-N 2 1 294.361 2.248 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374170625 374504658 /nfs/dbraw/zinc/50/46/58/374504658.db2.gz HAVDEXSYKIAKLC-INIZCTEOSA-N 3 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374170625 374504666 /nfs/dbraw/zinc/50/46/66/374504666.db2.gz HAVDEXSYKIAKLC-INIZCTEOSA-N 3 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374170625 374504674 /nfs/dbraw/zinc/50/46/74/374504674.db2.gz HAVDEXSYKIAKLC-INIZCTEOSA-N 3 1 279.472 2.279 20 0 CEADMP CN1CCC[C@H]1CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374170625 374504680 /nfs/dbraw/zinc/50/46/80/374504680.db2.gz HAVDEXSYKIAKLC-INIZCTEOSA-N 2 1 279.472 2.279 20 0 CEADMP CN1CCC[C@H]1CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374170625 374504687 /nfs/dbraw/zinc/50/46/87/374504687.db2.gz HAVDEXSYKIAKLC-INIZCTEOSA-N 2 1 279.472 2.279 20 0 CEADMP Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1Cl ZINC000277647531 374592550 /nfs/dbraw/zinc/59/25/50/374592550.db2.gz FCRCUXLONYMIOE-CQSZACIVSA-N 2 1 282.815 2.195 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccsc2)CCCO1 ZINC000277861765 374668986 /nfs/dbraw/zinc/66/89/86/374668986.db2.gz NDSXGAHIDAANIK-CYBMUJFWSA-N 2 1 268.426 2.339 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccsc2)CCCO1 ZINC000277861765 374668992 /nfs/dbraw/zinc/66/89/92/374668992.db2.gz NDSXGAHIDAANIK-CYBMUJFWSA-N 2 1 268.426 2.339 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000377560098 374886524 /nfs/dbraw/zinc/88/65/24/374886524.db2.gz CYCCEAKPMPPAQA-ARFHVFGLSA-N 2 1 295.471 2.003 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000279641312 374940520 /nfs/dbraw/zinc/94/05/20/374940520.db2.gz ARNLGZIXJFCSBZ-DOTOQJQBSA-N 2 1 294.439 2.321 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000377751413 374942132 /nfs/dbraw/zinc/94/21/32/374942132.db2.gz XHHHYXYTUGVFNQ-OAHLLOKOSA-N 2 1 267.461 2.134 20 0 CEADMP C[N@@H+](CC(C)(C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377625012 374904619 /nfs/dbraw/zinc/90/46/19/374904619.db2.gz KKRKYOLEDFFETA-OAHLLOKOSA-N 2 1 267.461 2.133 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000378517816 375121615 /nfs/dbraw/zinc/12/16/15/375121615.db2.gz KAQOOJDUXJJAAP-IRXDYDNUSA-N 2 1 292.398 2.203 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000378517816 375121618 /nfs/dbraw/zinc/12/16/18/375121618.db2.gz KAQOOJDUXJJAAP-IRXDYDNUSA-N 2 1 292.398 2.203 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000378517816 375121620 /nfs/dbraw/zinc/12/16/20/375121620.db2.gz KAQOOJDUXJJAAP-IRXDYDNUSA-N 2 1 292.398 2.203 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000378517816 375121623 /nfs/dbraw/zinc/12/16/23/375121623.db2.gz KAQOOJDUXJJAAP-IRXDYDNUSA-N 2 1 292.398 2.203 20 0 CEADMP C[N@H+](Cc1ccccc1OC(F)F)C1CC([NH3+])C1 ZINC000384712281 375216167 /nfs/dbraw/zinc/21/61/67/375216167.db2.gz DTTHXLJVIRLLFM-UHFFFAOYSA-N 2 1 256.296 2.210 20 0 CEADMP C[N@@H+](Cc1ccccc1OC(F)F)C1CC([NH3+])C1 ZINC000384712281 375216174 /nfs/dbraw/zinc/21/61/74/375216174.db2.gz DTTHXLJVIRLLFM-UHFFFAOYSA-N 2 1 256.296 2.210 20 0 CEADMP C[C@@H]1CCC[C@@H](CC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000388419346 375290347 /nfs/dbraw/zinc/29/03/47/375290347.db2.gz NBWHNPGUPNRFBR-YCPHGPKFSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1CCC[C@@H](CC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000388419346 375290352 /nfs/dbraw/zinc/29/03/52/375290352.db2.gz NBWHNPGUPNRFBR-YCPHGPKFSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000388685107 375295148 /nfs/dbraw/zinc/29/51/48/375295148.db2.gz RKDWZUWHYNLBDL-CABCVRRESA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]([NH2+]CCc1cccc(F)c1)[C@H]1CCCC[NH2+]1 ZINC000386554435 375262056 /nfs/dbraw/zinc/26/20/56/375262056.db2.gz HOZUAHXYLFVFGR-IUODEOHRSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261721598 296232616 /nfs/dbraw/zinc/23/26/16/296232616.db2.gz KHVJXGJPFHDIBV-XJKSGUPXSA-N 2 1 293.842 2.381 20 0 CEADMP C[NH+]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)[C@H]2CCC[C@@H]21 ZINC000414194032 375802325 /nfs/dbraw/zinc/80/23/25/375802325.db2.gz UIIYEIMRJLARCU-VQHPVUNQSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000414194032 375802330 /nfs/dbraw/zinc/80/23/30/375802330.db2.gz UIIYEIMRJLARCU-VQHPVUNQSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000414194032 375802337 /nfs/dbraw/zinc/80/23/37/375802337.db2.gz UIIYEIMRJLARCU-VQHPVUNQSA-N 3 1 279.472 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)[C@H]2CCC[C@@H]21 ZINC000414194032 375802342 /nfs/dbraw/zinc/80/23/42/375802342.db2.gz UIIYEIMRJLARCU-VQHPVUNQSA-N 2 1 279.472 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@H]2CCC[C@@H]21 ZINC000414194032 375802350 /nfs/dbraw/zinc/80/23/50/375802350.db2.gz UIIYEIMRJLARCU-VQHPVUNQSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CS1 ZINC000414234074 375803869 /nfs/dbraw/zinc/80/38/69/375803869.db2.gz SGVHXEPNXPVHLE-MBJXGIAVSA-N 2 1 254.443 2.343 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)OCC2CC2)CC[N@H+]1C ZINC000414262608 375809319 /nfs/dbraw/zinc/80/93/19/375809319.db2.gz JMDIWDLEAZXDPX-OCCSQVGLSA-N 2 1 254.418 2.264 20 0 CEADMP COC1([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000414305744 375829619 /nfs/dbraw/zinc/82/96/19/375829619.db2.gz NQHYFVQKZYDTKC-LBPRGKRZSA-N 2 1 252.402 2.160 20 0 CEADMP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000414356950 375834628 /nfs/dbraw/zinc/83/46/28/375834628.db2.gz AVQSTLRAPFZJMY-HNNXBMFYSA-N 2 1 290.455 2.497 20 0 CEADMP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000414356950 375834633 /nfs/dbraw/zinc/83/46/33/375834633.db2.gz AVQSTLRAPFZJMY-HNNXBMFYSA-N 2 1 290.455 2.497 20 0 CEADMP CC[NH+](CC)CCOC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414760998 375952918 /nfs/dbraw/zinc/95/29/18/375952918.db2.gz ZQXPSWZFLLNFGJ-INIZCTEOSA-N 3 1 299.503 2.183 20 0 CEADMP c1cc2c(c(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c1)NCC2 ZINC000414770653 375959933 /nfs/dbraw/zinc/95/99/33/375959933.db2.gz PHISDKMYKUHHIO-GASCZTMLSA-N 2 1 271.408 2.086 20 0 CEADMP CCCOc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1OC ZINC000414783641 375967488 /nfs/dbraw/zinc/96/74/88/375967488.db2.gz ZRDWNWLWFGKDCA-UHFFFAOYSA-N 2 1 278.396 2.406 20 0 CEADMP CCCOc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1OC ZINC000414783641 375967493 /nfs/dbraw/zinc/96/74/93/375967493.db2.gz ZRDWNWLWFGKDCA-UHFFFAOYSA-N 2 1 278.396 2.406 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000414783299 375968256 /nfs/dbraw/zinc/96/82/56/375968256.db2.gz PTXJQWIZFUZXPJ-CABCVRRESA-N 2 1 289.423 2.302 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc12 ZINC000414787184 375969690 /nfs/dbraw/zinc/96/96/90/375969690.db2.gz VGZFOPYAJSLPIH-GJZGRUSLSA-N 2 1 299.422 2.088 20 0 CEADMP COCCCOc1cccc(C[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000414792043 375973508 /nfs/dbraw/zinc/97/35/08/375973508.db2.gz IJSMTXCKHBUGOB-INIZCTEOSA-N 2 1 280.412 2.175 20 0 CEADMP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1F ZINC000414792340 375973582 /nfs/dbraw/zinc/97/35/82/375973582.db2.gz RPONFCMFMFGXKW-HUBLWGQQSA-N 2 1 280.387 2.434 20 0 CEADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1F ZINC000414792340 375973586 /nfs/dbraw/zinc/97/35/86/375973586.db2.gz RPONFCMFMFGXKW-HUBLWGQQSA-N 2 1 280.387 2.434 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)CC[NH2+]1 ZINC000414694804 375923242 /nfs/dbraw/zinc/92/32/42/375923242.db2.gz FZFZRRWBKIQWEP-PMPSAXMXSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000414694804 375923244 /nfs/dbraw/zinc/92/32/44/375923244.db2.gz FZFZRRWBKIQWEP-PMPSAXMXSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)CC[NH2+]1 ZINC000414694804 375923245 /nfs/dbraw/zinc/92/32/45/375923245.db2.gz FZFZRRWBKIQWEP-PMPSAXMXSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+](C)CC[C@@H]2CCCCN2C)CC[NH2+]1 ZINC000414694804 375923247 /nfs/dbraw/zinc/92/32/47/375923247.db2.gz FZFZRRWBKIQWEP-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC[C@@H]2CCCCN2C)CC[NH2+]1 ZINC000414694804 375923249 /nfs/dbraw/zinc/92/32/49/375923249.db2.gz FZFZRRWBKIQWEP-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP COc1cccc(C[N@@H+](CCC[NH3+])C[C@H]2CCCO2)c1 ZINC000414697928 375926540 /nfs/dbraw/zinc/92/65/40/375926540.db2.gz WXRBPXLTULBWGK-MRXNPFEDSA-N 2 1 278.396 2.025 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)CC12CCCCC2 ZINC000414700595 375928265 /nfs/dbraw/zinc/92/82/65/375928265.db2.gz GIWRFHIYHMGBEO-HNNXBMFYSA-N 2 1 267.461 2.310 20 0 CEADMP CCC[N@@H+](CCN(CC)CC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414706730 375931716 /nfs/dbraw/zinc/93/17/16/375931716.db2.gz HFJXVVKMYSGDDF-HZPDHXFCSA-N 2 1 269.477 2.428 20 0 CEADMP CCCOc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1OC ZINC000414809438 375995328 /nfs/dbraw/zinc/99/53/28/375995328.db2.gz UDXXJJCWWLHKQU-CQSZACIVSA-N 2 1 278.396 2.311 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000414808584 375995832 /nfs/dbraw/zinc/99/58/32/375995832.db2.gz LCSVGSMHURHPIO-UHFFFAOYSA-N 2 1 276.428 2.289 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000414817143 376002569 /nfs/dbraw/zinc/00/25/69/376002569.db2.gz RNLUKBAJSNYZKI-OCCSQVGLSA-N 2 1 265.401 2.128 20 0 CEADMP FC(F)(F)CC[NH+]1CCC(NCC[C@H]2CCC[NH2+]2)CC1 ZINC000414908192 376010721 /nfs/dbraw/zinc/01/07/21/376010721.db2.gz RJXBYWPGIILVSP-GFCCVEGCSA-N 2 1 293.377 2.135 20 0 CEADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2C[NH2+]CCN2C)cc1 ZINC000414977241 376015864 /nfs/dbraw/zinc/01/58/64/376015864.db2.gz PRSVNFOTTCXJAU-SQNIBIBYSA-N 2 1 287.451 2.124 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CC[NH2+]1 ZINC000415108066 376022225 /nfs/dbraw/zinc/02/22/25/376022225.db2.gz KDHWXFFZRLEVTP-TXCZRRACSA-N 2 1 280.456 2.248 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(Br)c1)C1CC1 ZINC000414800469 375984202 /nfs/dbraw/zinc/98/42/02/375984202.db2.gz KVJLGXPWNFAUNS-GFCCVEGCSA-N 2 1 269.186 2.276 20 0 CEADMP CCc1nc(C)cc(N[C@@H](C)C2=CC[N@@H+](C)CC2)n1 ZINC000287088739 376147190 /nfs/dbraw/zinc/14/71/90/376147190.db2.gz YNXLNXXXBBAAJN-LBPRGKRZSA-N 2 1 260.385 2.410 20 0 CEADMP CCc1nc(N[C@@H](C)C2=CC[N@@H+](C)CC2)cc(C)[nH+]1 ZINC000287088739 376147201 /nfs/dbraw/zinc/14/72/01/376147201.db2.gz YNXLNXXXBBAAJN-LBPRGKRZSA-N 2 1 260.385 2.410 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287847298 376327939 /nfs/dbraw/zinc/32/79/39/376327939.db2.gz WOEGSXQZOFCIMX-HUUCEWRRSA-N 2 1 299.422 2.260 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000419249213 376412465 /nfs/dbraw/zinc/41/24/65/376412465.db2.gz YGPQNJWBLLPFCS-ARFHVFGLSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000419249213 376412468 /nfs/dbraw/zinc/41/24/68/376412468.db2.gz YGPQNJWBLLPFCS-ARFHVFGLSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000419249213 376412471 /nfs/dbraw/zinc/41/24/71/376412471.db2.gz YGPQNJWBLLPFCS-ARFHVFGLSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H](c1ccc(F)cc1)N(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289916776 376558003 /nfs/dbraw/zinc/55/80/03/376558003.db2.gz OIFZKHKBWGUVDZ-LRDDRELGSA-N 2 1 280.387 2.274 20 0 CEADMP C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000289916776 376558010 /nfs/dbraw/zinc/55/80/10/376558010.db2.gz OIFZKHKBWGUVDZ-LRDDRELGSA-N 2 1 280.387 2.274 20 0 CEADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000289916776 376558018 /nfs/dbraw/zinc/55/80/18/376558018.db2.gz OIFZKHKBWGUVDZ-LRDDRELGSA-N 2 1 280.387 2.274 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000307965859 376575466 /nfs/dbraw/zinc/57/54/66/376575466.db2.gz MOLRTSFXQOPPFQ-RISCZKNCSA-N 2 1 264.417 2.079 20 0 CEADMP CC(C)c1cc(N2CCC[C@@H](CC[NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420247242 376656900 /nfs/dbraw/zinc/65/69/00/376656900.db2.gz UGOALWIZTOODLR-ZDUSSCGKSA-N 2 1 291.443 2.231 20 0 CEADMP COCc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000290301546 376724734 /nfs/dbraw/zinc/72/47/34/376724734.db2.gz BKEJIYYHHRXDQZ-CJNGLKHVSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000290301546 376724737 /nfs/dbraw/zinc/72/47/37/376724737.db2.gz BKEJIYYHHRXDQZ-CJNGLKHVSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)o1 ZINC000290301546 376724743 /nfs/dbraw/zinc/72/47/43/376724743.db2.gz BKEJIYYHHRXDQZ-CJNGLKHVSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)o1 ZINC000290301546 376724746 /nfs/dbraw/zinc/72/47/46/376724746.db2.gz BKEJIYYHHRXDQZ-CJNGLKHVSA-N 2 1 278.396 2.342 20 0 CEADMP COc1ccc(F)cc1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000311906134 376693875 /nfs/dbraw/zinc/69/38/75/376693875.db2.gz DILAPDAPQXAJTJ-RISCZKNCSA-N 2 1 266.360 2.264 20 0 CEADMP COc1ccc(F)cc1C[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000311906134 376693884 /nfs/dbraw/zinc/69/38/84/376693884.db2.gz DILAPDAPQXAJTJ-RISCZKNCSA-N 2 1 266.360 2.264 20 0 CEADMP COCC(C)(C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420909514 376733906 /nfs/dbraw/zinc/73/39/06/376733906.db2.gz YVOOZDRSGZLJLV-UHFFFAOYSA-N 2 1 292.423 2.033 20 0 CEADMP CC[C@@H]1C[NH+](CCCn2cc[nH+]c2C)C[C@@H](CC)O1 ZINC000420947406 376745664 /nfs/dbraw/zinc/74/56/64/376745664.db2.gz CSEVVPJMYHNZLB-HUUCEWRRSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1ccoc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457935 542142266 /nfs/dbraw/zinc/14/22/66/542142266.db2.gz UEFSDKOAUUDDJD-INIZCTEOSA-N 2 1 291.439 2.188 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422974109 376898291 /nfs/dbraw/zinc/89/82/91/376898291.db2.gz QLZWOZDARQGFOG-LTIDMASMSA-N 2 1 279.472 2.229 20 0 CEADMP CCC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422974109 376898297 /nfs/dbraw/zinc/89/82/97/376898297.db2.gz QLZWOZDARQGFOG-LTIDMASMSA-N 2 1 279.472 2.229 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422974109 376898301 /nfs/dbraw/zinc/89/83/01/376898301.db2.gz QLZWOZDARQGFOG-LTIDMASMSA-N 2 1 279.472 2.229 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093451021 284604637 /nfs/dbraw/zinc/60/46/37/284604637.db2.gz BMNJCEARGQGGQD-OAGGEKHMSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@@H](NC[C@@H](c1ccco1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422961154 376886617 /nfs/dbraw/zinc/88/66/17/376886617.db2.gz AUVNEZYNKWPCGN-RDBSUJKOSA-N 2 1 265.401 2.003 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000422960912 376886941 /nfs/dbraw/zinc/88/69/41/376886941.db2.gz ABKXHUAQWSWFGM-ILXRZTDVSA-N 2 1 277.412 2.276 20 0 CEADMP C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1c[nH+]ccc1N ZINC000422961321 376887259 /nfs/dbraw/zinc/88/72/59/376887259.db2.gz BKKMHZGGYDUOSY-BXUZGUMPSA-N 2 1 274.368 2.041 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000422987184 376907104 /nfs/dbraw/zinc/90/71/04/376907104.db2.gz FQHYMJBCAICODB-DOMZBBRYSA-N 2 1 262.401 2.215 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000422995886 376911968 /nfs/dbraw/zinc/91/19/68/376911968.db2.gz ZSKFVEIRMBFICW-NEPJUHHUSA-N 2 1 250.390 2.214 20 0 CEADMP CCOc1cccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422998049 376914874 /nfs/dbraw/zinc/91/48/74/376914874.db2.gz PJLPECDXZGZTRH-BBRMVZONSA-N 2 1 262.397 2.358 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422997034 376914898 /nfs/dbraw/zinc/91/48/98/376914898.db2.gz NDJKQNCOPFTVIG-HRCADAONSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000562518753 376917279 /nfs/dbraw/zinc/91/72/79/376917279.db2.gz AABYFYDNKHMTLT-WDNDVIMCSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000562518753 376917286 /nfs/dbraw/zinc/91/72/86/376917286.db2.gz AABYFYDNKHMTLT-WDNDVIMCSA-N 2 1 254.418 2.406 20 0 CEADMP CCOC(=O)c1cnccc1N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000290802569 376933157 /nfs/dbraw/zinc/93/31/57/376933157.db2.gz PYMFCSGYUFCINH-VXGBXAGGSA-N 2 1 289.379 2.295 20 0 CEADMP CC1=CC[N@@H+](CCN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000423033774 376941699 /nfs/dbraw/zinc/94/16/99/376941699.db2.gz GWKSTWOIFVXFHJ-IRXDYDNUSA-N 2 1 271.408 2.373 20 0 CEADMP C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C[C@H]1CCCCO1 ZINC000423035989 376943578 /nfs/dbraw/zinc/94/35/78/376943578.db2.gz KFELUKAZSWKJDJ-TWMKSMIVSA-N 2 1 296.455 2.082 20 0 CEADMP C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1c[nH+]ccc1N ZINC000423056281 376950545 /nfs/dbraw/zinc/95/05/45/376950545.db2.gz XFGLUNWJVCWBDU-LBPRGKRZSA-N 2 1 295.390 2.274 20 0 CEADMP CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423057617 376952561 /nfs/dbraw/zinc/95/25/61/376952561.db2.gz HNNXQHBOJJZBAV-GRYCIOLGSA-N 2 1 282.350 2.320 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000423064573 376954754 /nfs/dbraw/zinc/95/47/54/376954754.db2.gz RTKZWUFZRARIJE-UMSGYPCISA-N 2 1 294.361 2.200 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)CC2 ZINC000423067901 376956807 /nfs/dbraw/zinc/95/68/07/376956807.db2.gz ANVAOXDSMYNQEZ-YUELXQCFSA-N 2 1 276.428 2.051 20 0 CEADMP CC(C)=CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423073159 376963194 /nfs/dbraw/zinc/96/31/94/376963194.db2.gz QUFSPZYQJBTQFD-RBSFLKMASA-N 2 1 252.402 2.089 20 0 CEADMP C[C@H](NC[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423075103 376966526 /nfs/dbraw/zinc/96/65/26/376966526.db2.gz NOXWRDHZQYNSHO-BPUTZDHNSA-N 2 1 265.445 2.124 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423126624 377025474 /nfs/dbraw/zinc/02/54/74/377025474.db2.gz SABZRYOADXZMHG-APHBMKBZSA-N 2 1 261.413 2.450 20 0 CEADMP C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000562959530 377037824 /nfs/dbraw/zinc/03/78/24/377037824.db2.gz WTDRBNJJHLCTEX-LHUBUQBQSA-N 2 1 274.408 2.464 20 0 CEADMP CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423145568 377044916 /nfs/dbraw/zinc/04/49/16/377044916.db2.gz LHGYHGYFYZYWGY-VWYCJHECSA-N 2 1 268.323 2.074 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000290950728 376998707 /nfs/dbraw/zinc/99/87/07/376998707.db2.gz PFIKYDZJSOTKFT-ZDUSSCGKSA-N 2 1 288.395 2.185 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000290962317 377005342 /nfs/dbraw/zinc/00/53/42/377005342.db2.gz WKTSBSZCWWNIAD-UHFFFAOYSA-N 2 1 287.411 2.310 20 0 CEADMP C[C@H](Cc1ccoc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423193978 377108490 /nfs/dbraw/zinc/10/84/90/377108490.db2.gz XVFLCGGMMMMDEK-CQSZACIVSA-N 2 1 273.380 2.375 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)C12CCCC2 ZINC000423194835 377111358 /nfs/dbraw/zinc/11/13/58/377111358.db2.gz RTQFTTGYHFJCTM-MELADBBJSA-N 2 1 252.402 2.066 20 0 CEADMP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H](O)C(F)F ZINC000423160352 377063496 /nfs/dbraw/zinc/06/34/96/377063496.db2.gz QPWHTYPFSXGSNM-XQHKEYJVSA-N 2 1 270.323 2.125 20 0 CEADMP Cc1cccnc1CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423159573 377065067 /nfs/dbraw/zinc/06/50/67/377065067.db2.gz YJCDOMRTOMPUJC-GFCCVEGCSA-N 2 1 256.353 2.091 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423160210 377065241 /nfs/dbraw/zinc/06/52/41/377065241.db2.gz ZFTPPKJTNCKUCS-OLZOCXBDSA-N 2 1 272.751 2.327 20 0 CEADMP C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423176264 377084571 /nfs/dbraw/zinc/08/45/71/377084571.db2.gz FYYXCELUGANCOZ-XPKDYRNWSA-N 2 1 280.387 2.022 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563149972 377106575 /nfs/dbraw/zinc/10/65/75/377106575.db2.gz QMJUHSIBERWPAL-GFCCVEGCSA-N 2 1 280.334 2.031 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563149973 377107227 /nfs/dbraw/zinc/10/72/27/377107227.db2.gz QMJUHSIBERWPAL-LBPRGKRZSA-N 2 1 280.334 2.031 20 0 CEADMP [NH3+]C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000423273833 377193878 /nfs/dbraw/zinc/19/38/78/377193878.db2.gz JPFBEMIPHKSREI-HCXYKTFWSA-N 2 1 299.462 2.224 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000423273116 377194334 /nfs/dbraw/zinc/19/43/34/377194334.db2.gz ZVTASOUBMVZHCE-KGLIPLIRSA-N 2 1 287.411 2.291 20 0 CEADMP [NH3+]C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000423273836 377195187 /nfs/dbraw/zinc/19/51/87/377195187.db2.gz JPFBEMIPHKSREI-OKYOBFRVSA-N 2 1 299.462 2.224 20 0 CEADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccncc1F ZINC000423219532 377137342 /nfs/dbraw/zinc/13/73/42/377137342.db2.gz UCXAMABONMZBLA-SDDRHHMPSA-N 2 1 251.349 2.259 20 0 CEADMP C[NH2+]CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423226840 377143800 /nfs/dbraw/zinc/14/38/00/377143800.db2.gz SMZWWMKDLLSVHD-OKZBNKHCSA-N 2 1 287.451 2.096 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@](C)(O)C[NH2+]C)CC[C@H]1c1ccccc1 ZINC000563269692 377150457 /nfs/dbraw/zinc/15/04/57/377150457.db2.gz NVWBBXRSJWUGLE-NXHRZFHOSA-N 2 1 290.451 2.473 20 0 CEADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1OC ZINC000423267653 377187515 /nfs/dbraw/zinc/18/75/15/377187515.db2.gz CZWNWYNTURWDCS-MFKMUULPSA-N 2 1 264.369 2.092 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1F ZINC000423281351 377210647 /nfs/dbraw/zinc/21/06/47/377210647.db2.gz UIAPDASSAYXMMG-TVQRCGJNSA-N 2 1 252.333 2.222 20 0 CEADMP COCCc1nc(C)c([C@@H](C)[NH2+]CC(C)(C)[NH3+])s1 ZINC000423283932 377213403 /nfs/dbraw/zinc/21/34/03/377213403.db2.gz FZHWGBXYIMMMBU-SECBINFHSA-N 2 1 271.430 2.028 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2COc3cc(F)ccc3C2)[C@@H](C)C1 ZINC000563443454 377228098 /nfs/dbraw/zinc/22/80/98/377228098.db2.gz GOQNVFCUCDQLJG-MAZHCROVSA-N 2 1 292.398 2.449 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CCS2 ZINC000423302206 377232700 /nfs/dbraw/zinc/23/27/00/377232700.db2.gz JHIRCTLZTDNISH-CYBMUJFWSA-N 2 1 264.394 2.041 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423303169 377233433 /nfs/dbraw/zinc/23/34/33/377233433.db2.gz WRFKPPQSEBWFKJ-APIJFGDWSA-N 2 1 266.429 2.441 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2oc(C)nc2C)C1 ZINC000685566008 542158561 /nfs/dbraw/zinc/15/85/61/542158561.db2.gz FDYXDUJFCOOPFN-HNNXBMFYSA-N 2 1 295.427 2.224 20 0 CEADMP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423317532 377247357 /nfs/dbraw/zinc/24/73/57/377247357.db2.gz CJUHEAODAYHMRX-DYVFJYSZSA-N 2 1 285.391 2.311 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423319295 377250899 /nfs/dbraw/zinc/25/08/99/377250899.db2.gz FBWPXFOLXSQSMY-DFBGVHRSSA-N 2 1 282.815 2.367 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423327335 377260375 /nfs/dbraw/zinc/26/03/75/377260375.db2.gz MVZBPQAVEUVSLN-CQSZACIVSA-N 3 1 291.439 2.159 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000425924005 377389725 /nfs/dbraw/zinc/38/97/25/377389725.db2.gz VBKLNNSXFQXMDF-ZFWWWQNUSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000425924005 377389730 /nfs/dbraw/zinc/38/97/30/377389730.db2.gz VBKLNNSXFQXMDF-ZFWWWQNUSA-N 2 1 265.401 2.065 20 0 CEADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000430677473 377538539 /nfs/dbraw/zinc/53/85/39/377538539.db2.gz QIONWEGXWATNRZ-FZKCQIBNSA-N 2 1 293.455 2.027 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000565093462 377555570 /nfs/dbraw/zinc/55/55/70/377555570.db2.gz LUZVGDINPHVCRP-YYUOFMGYSA-N 2 1 280.456 2.105 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000430916651 377562999 /nfs/dbraw/zinc/56/29/99/377562999.db2.gz AVYYOPPWMMWELC-SOUVJXGZSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1cccc(C)c1OCCC[N@@H+](C)[C@H](C)C[NH3+] ZINC000430971496 377580831 /nfs/dbraw/zinc/58/08/31/377580831.db2.gz NQFJFHULXIRDOX-CQSZACIVSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1cccc(C)c1OCCC[N@H+](C)[C@H](C)C[NH3+] ZINC000430971496 377580833 /nfs/dbraw/zinc/58/08/33/377580833.db2.gz NQFJFHULXIRDOX-CQSZACIVSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc(C)[nH+]1 ZINC000265501433 190186365 /nfs/dbraw/zinc/18/63/65/190186365.db2.gz NAKMTGWNGORXMB-AWEZNQCLSA-N 2 1 290.411 2.006 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C[NH+]1CCC(C)(C)C1 ZINC000565188624 377596881 /nfs/dbraw/zinc/59/68/81/377596881.db2.gz KOYDOEXEBLEPII-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000565188624 377596886 /nfs/dbraw/zinc/59/68/86/377596886.db2.gz KOYDOEXEBLEPII-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000565188624 377596892 /nfs/dbraw/zinc/59/68/92/377596892.db2.gz KOYDOEXEBLEPII-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+](Cc1ccccc1C(=O)OC)C1CC[NH2+]CC1 ZINC000130186745 249314693 /nfs/dbraw/zinc/31/46/93/249314693.db2.gz UYYUKWAVZJVRCG-UHFFFAOYSA-N 2 1 290.407 2.437 20 0 CEADMP CCC[N@@H+](Cc1ccccc1C(=O)OC)C1CC[NH2+]CC1 ZINC000130186745 249314696 /nfs/dbraw/zinc/31/46/96/249314696.db2.gz UYYUKWAVZJVRCG-UHFFFAOYSA-N 2 1 290.407 2.437 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)Nc1nc(C)ncc1C ZINC000565227340 377617671 /nfs/dbraw/zinc/61/76/71/377617671.db2.gz VPEPUIFCUPYXTO-LBPRGKRZSA-N 2 1 250.390 2.048 20 0 CEADMP CC(C)Cc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000313393155 249393424 /nfs/dbraw/zinc/39/34/24/249393424.db2.gz NWSCHHDKPOOJQJ-QGZVFWFLSA-N 2 1 276.424 2.435 20 0 CEADMP CC(C)Cc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000313393155 249393426 /nfs/dbraw/zinc/39/34/26/249393426.db2.gz NWSCHHDKPOOJQJ-QGZVFWFLSA-N 2 1 276.424 2.435 20 0 CEADMP Cc1cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000313359761 249393714 /nfs/dbraw/zinc/39/37/14/249393714.db2.gz VQFTXJAHZSBOMZ-HNNXBMFYSA-N 2 1 285.391 2.093 20 0 CEADMP Cc1cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000313359761 249393720 /nfs/dbraw/zinc/39/37/20/249393720.db2.gz VQFTXJAHZSBOMZ-HNNXBMFYSA-N 2 1 285.391 2.093 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000565365713 377651441 /nfs/dbraw/zinc/65/14/41/377651441.db2.gz FSLOVYRNXJIKMW-MRXNPFEDSA-N 2 1 298.377 2.115 20 0 CEADMP COc1ccccc1OCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000566089521 377724404 /nfs/dbraw/zinc/72/44/04/377724404.db2.gz JYOFYSWWCHXTEA-LBPRGKRZSA-N 2 1 287.363 2.232 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000566125363 377729700 /nfs/dbraw/zinc/72/97/00/377729700.db2.gz QZNOBIHHMLUKBE-OWCLPIDISA-N 2 1 294.826 2.241 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000566125363 377729710 /nfs/dbraw/zinc/72/97/10/377729710.db2.gz QZNOBIHHMLUKBE-OWCLPIDISA-N 2 1 294.826 2.241 20 0 CEADMP C[C@H](O)C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000566850926 377775284 /nfs/dbraw/zinc/77/52/84/377775284.db2.gz DZQVMFAEZSAJBO-HLLBOEOZSA-N 2 1 276.424 2.258 20 0 CEADMP Cc1sccc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000293901391 377816225 /nfs/dbraw/zinc/81/62/25/377816225.db2.gz LCDGRVYPLVDOGI-UHFFFAOYSA-N 2 1 283.485 2.372 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CCOC2)C1 ZINC000438110994 377886581 /nfs/dbraw/zinc/88/65/81/377886581.db2.gz WYDUSWSDYZFVCB-HUUCEWRRSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000438110994 377886587 /nfs/dbraw/zinc/88/65/87/377886587.db2.gz WYDUSWSDYZFVCB-HUUCEWRRSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000438110994 377886590 /nfs/dbraw/zinc/88/65/90/377886590.db2.gz WYDUSWSDYZFVCB-HUUCEWRRSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[C@@H](C)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441371687 377940747 /nfs/dbraw/zinc/94/07/47/377940747.db2.gz MXKZEMKRYYJJMG-CQSZACIVSA-N 2 1 255.450 2.038 20 0 CEADMP C[C@H]([NH3+])C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000442664946 377978680 /nfs/dbraw/zinc/97/86/80/377978680.db2.gz LCQYKSLTKUKBTH-NSHDSACASA-N 2 1 268.788 2.283 20 0 CEADMP C[C@H]([NH3+])CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000442663313 377978720 /nfs/dbraw/zinc/97/87/20/377978720.db2.gz JNMOSEVDVVVPCZ-FUHWJXTLSA-N 2 1 287.451 2.322 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1F ZINC000442758696 377991901 /nfs/dbraw/zinc/99/19/01/377991901.db2.gz BJVFTBCKWJKHAX-AGIUHOORSA-N 2 1 293.386 2.130 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1F ZINC000442758696 377991909 /nfs/dbraw/zinc/99/19/09/377991909.db2.gz BJVFTBCKWJKHAX-AGIUHOORSA-N 2 1 293.386 2.130 20 0 CEADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443060973 378031383 /nfs/dbraw/zinc/03/13/83/378031383.db2.gz QKDJZYVTTOBWJD-CABCVRRESA-N 2 1 289.423 2.383 20 0 CEADMP Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443063239 378031970 /nfs/dbraw/zinc/03/19/70/378031970.db2.gz NCDPLBCCZQQGQH-OAHLLOKOSA-N 2 1 289.423 2.303 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000443433720 378052710 /nfs/dbraw/zinc/05/27/10/378052710.db2.gz WAAQENBYCMNHBT-KGLIPLIRSA-N 2 1 298.394 2.009 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000443433720 378052713 /nfs/dbraw/zinc/05/27/13/378052713.db2.gz WAAQENBYCMNHBT-KGLIPLIRSA-N 2 1 298.394 2.009 20 0 CEADMP C[N@H+](C[C@@H](O)c1ccccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000266089136 190229234 /nfs/dbraw/zinc/22/92/34/190229234.db2.gz ZBKNAJKGIXZBQS-CZUORRHYSA-N 2 1 280.387 2.133 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000266089136 190229235 /nfs/dbraw/zinc/22/92/35/190229235.db2.gz ZBKNAJKGIXZBQS-CZUORRHYSA-N 2 1 280.387 2.133 20 0 CEADMP C[NH+](C[C@@H](O)c1ccccc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000266089136 190229236 /nfs/dbraw/zinc/22/92/36/190229236.db2.gz ZBKNAJKGIXZBQS-CZUORRHYSA-N 2 1 280.387 2.133 20 0 CEADMP C[NH+](C[C@@H](O)c1ccccc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000266089136 190229237 /nfs/dbraw/zinc/22/92/37/190229237.db2.gz ZBKNAJKGIXZBQS-CZUORRHYSA-N 2 1 280.387 2.133 20 0 CEADMP CCc1cc(NC[C@H]2CCCn3cc[nH+]c32)cc[nH+]1 ZINC000450392397 378390983 /nfs/dbraw/zinc/39/09/83/378390983.db2.gz PMXSRCSOXZFGQH-GFCCVEGCSA-N 2 1 256.353 2.252 20 0 CEADMP Cc1cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cs1 ZINC000296098453 378417512 /nfs/dbraw/zinc/41/75/12/378417512.db2.gz RPUDGRHFKZLAPO-UHFFFAOYSA-N 2 1 283.485 2.372 20 0 CEADMP Cc1cnc(C[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000296547928 378571482 /nfs/dbraw/zinc/57/14/82/378571482.db2.gz UGFGVYIIATVPAA-UHFFFAOYSA-N 2 1 250.371 2.136 20 0 CEADMP OCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453059970 378789568 /nfs/dbraw/zinc/78/95/68/378789568.db2.gz QYLITATXYTUXAW-KURKYZTESA-N 2 1 288.435 2.402 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)C[C@@H]12 ZINC000346842421 218032073 /nfs/dbraw/zinc/03/20/73/218032073.db2.gz HQRMDNKTGAHHJY-KCPJHIHWSA-N 2 1 288.420 2.103 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@H](C)c2nccn2CC)C1 ZINC000453104585 378804807 /nfs/dbraw/zinc/80/48/07/378804807.db2.gz ZOEIUWMIYRVZIW-ZIAGYGMSSA-N 2 1 264.417 2.286 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453143763 378818591 /nfs/dbraw/zinc/81/85/91/378818591.db2.gz MOCAMZDKRPTXQW-OWLYRPNTSA-N 2 1 288.435 2.400 20 0 CEADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346831382 218027825 /nfs/dbraw/zinc/02/78/25/218027825.db2.gz KYSSIYZDMHDWGV-KKUMJFAQSA-N 2 1 290.407 2.263 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)C[C@H]12 ZINC000346829883 218027852 /nfs/dbraw/zinc/02/78/52/218027852.db2.gz OJGOLZNGHFKVKN-KGYLQXTDSA-N 2 1 288.420 2.307 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000346851421 218036538 /nfs/dbraw/zinc/03/65/38/218036538.db2.gz JTSFDFOBWGVEDV-IACUBPJLSA-N 2 1 294.468 2.158 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1C ZINC000346858586 218040452 /nfs/dbraw/zinc/04/04/52/218040452.db2.gz RKNYOMBUAWIPNS-BPUTZDHNSA-N 2 1 276.428 2.079 20 0 CEADMP CC(C)N(CC[N@H+](C)CC1CC[NH2+]CC1)C(C)C ZINC000346957659 218068531 /nfs/dbraw/zinc/06/85/31/218068531.db2.gz CXEFOVOPBZGZDT-UHFFFAOYSA-N 2 1 255.450 2.037 20 0 CEADMP CC(C)N(CC[N@@H+](C)CC1CC[NH2+]CC1)C(C)C ZINC000346957659 218068532 /nfs/dbraw/zinc/06/85/32/218068532.db2.gz CXEFOVOPBZGZDT-UHFFFAOYSA-N 2 1 255.450 2.037 20 0 CEADMP C[C@H](c1ccsc1)[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346961899 218070151 /nfs/dbraw/zinc/07/01/51/218070151.db2.gz GHEFAJXBKSILLU-HUUCEWRRSA-N 2 1 293.480 2.426 20 0 CEADMP C[C@@H](c1ccsc1)[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346961905 218070927 /nfs/dbraw/zinc/07/09/27/218070927.db2.gz GHEFAJXBKSILLU-LSDHHAIUSA-N 2 1 293.480 2.426 20 0 CEADMP CC[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1CCOC1 ZINC000453399332 378886926 /nfs/dbraw/zinc/88/69/26/378886926.db2.gz NQJJUTLEAIQTEA-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1CCOC1 ZINC000453399332 378886930 /nfs/dbraw/zinc/88/69/30/378886930.db2.gz NQJJUTLEAIQTEA-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000453401500 378888590 /nfs/dbraw/zinc/88/85/90/378888590.db2.gz LNZCQMXCWOYRQH-KBUPBQIOSA-N 2 1 254.418 2.406 20 0 CEADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000453401500 378888598 /nfs/dbraw/zinc/88/85/98/378888598.db2.gz LNZCQMXCWOYRQH-KBUPBQIOSA-N 2 1 254.418 2.406 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cnn(C)c1 ZINC000453421011 378898054 /nfs/dbraw/zinc/89/80/54/378898054.db2.gz ZZQFNMKUZLPNRF-HNNXBMFYSA-N 2 1 264.417 2.335 20 0 CEADMP Cc1ncc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)n1 ZINC000453358579 378872337 /nfs/dbraw/zinc/87/23/37/378872337.db2.gz PYHIBXQMCKAAQR-JZIBPQBNSA-N 2 1 274.412 2.369 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)n1 ZINC000453358579 378872344 /nfs/dbraw/zinc/87/23/44/378872344.db2.gz PYHIBXQMCKAAQR-JZIBPQBNSA-N 2 1 274.412 2.369 20 0 CEADMP CCN(CC(C)(C)[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000346972674 218073939 /nfs/dbraw/zinc/07/39/39/218073939.db2.gz HLTCWGTVDFERPA-INIZCTEOSA-N 2 1 275.440 2.320 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000346972729 218073943 /nfs/dbraw/zinc/07/39/43/218073943.db2.gz HSBKIXKVAOOBGS-RYUDHWBXSA-N 2 1 253.415 2.178 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cccc2nccn21)C1CC1 ZINC000453599296 378918869 /nfs/dbraw/zinc/91/88/69/378918869.db2.gz QMZHIIWFFUNLRG-UHFFFAOYSA-N 2 1 272.396 2.298 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H](C[NH3+])C1 ZINC000347040193 218102880 /nfs/dbraw/zinc/10/28/80/218102880.db2.gz HRGBBBKXKVDUKW-KRWDZBQOSA-N 2 1 289.467 2.425 20 0 CEADMP COc1cc(C[N@@H+](C)CCC[NH3+])ccc1SC ZINC000347049225 218104390 /nfs/dbraw/zinc/10/43/90/218104390.db2.gz QICYCFFAPYUVOF-UHFFFAOYSA-N 2 1 254.399 2.198 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000347047925 218104614 /nfs/dbraw/zinc/10/46/14/218104614.db2.gz PBEFGRMOVODBEB-ZBFHGGJFSA-N 2 1 284.407 2.432 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])ccc1-n1cncn1 ZINC000347024314 218096441 /nfs/dbraw/zinc/09/64/41/218096441.db2.gz QTNTZAPXHXNTTA-CXAGYDPISA-N 2 1 299.422 2.135 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])ccc1-n1cncn1 ZINC000347024314 218096442 /nfs/dbraw/zinc/09/64/42/218096442.db2.gz QTNTZAPXHXNTTA-CXAGYDPISA-N 2 1 299.422 2.135 20 0 CEADMP COc1ccccc1/C=C/C[N@H+](C)C1CC[NH2+]CC1 ZINC000347093064 218118618 /nfs/dbraw/zinc/11/86/18/218118618.db2.gz GPKFGXFMDXYELS-FNORWQNLSA-N 2 1 260.381 2.392 20 0 CEADMP COc1ccccc1/C=C/C[N@@H+](C)C1CC[NH2+]CC1 ZINC000347093064 218118620 /nfs/dbraw/zinc/11/86/20/218118620.db2.gz GPKFGXFMDXYELS-FNORWQNLSA-N 2 1 260.381 2.392 20 0 CEADMP COc1cc(C)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1 ZINC000347104079 218122925 /nfs/dbraw/zinc/12/29/25/218122925.db2.gz KYJDXAYRKWJONO-YIONKMFJSA-N 2 1 289.423 2.422 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1 ZINC000347104079 218122926 /nfs/dbraw/zinc/12/29/26/218122926.db2.gz KYJDXAYRKWJONO-YIONKMFJSA-N 2 1 289.423 2.422 20 0 CEADMP COc1cc2c(c(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)c1)O[C@H](C)C2 ZINC000347141426 218136260 /nfs/dbraw/zinc/13/62/60/218136260.db2.gz WJSLFFSMLOGLOE-HSMVNMDESA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(c(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)c1)O[C@H](C)C2 ZINC000347141426 218136263 /nfs/dbraw/zinc/13/62/63/218136263.db2.gz WJSLFFSMLOGLOE-HSMVNMDESA-N 2 1 290.407 2.188 20 0 CEADMP C[N@H+](Cc1cccc(OC(F)F)c1)C1CC[NH2+]CC1 ZINC000347185967 218147829 /nfs/dbraw/zinc/14/78/29/218147829.db2.gz YZVPDVWZYQVBCS-UHFFFAOYSA-N 2 1 270.323 2.472 20 0 CEADMP C[N@@H+](Cc1cccc(OC(F)F)c1)C1CC[NH2+]CC1 ZINC000347185967 218147831 /nfs/dbraw/zinc/14/78/31/218147831.db2.gz YZVPDVWZYQVBCS-UHFFFAOYSA-N 2 1 270.323 2.472 20 0 CEADMP CCC[N@H+](Cc1cccc2c1OCCO2)C1CC[NH2+]CC1 ZINC000347227957 218162207 /nfs/dbraw/zinc/16/22/07/218162207.db2.gz WQZZRHQLZNWACD-UHFFFAOYSA-N 2 1 290.407 2.422 20 0 CEADMP CCC[N@@H+](Cc1cccc2c1OCCO2)C1CC[NH2+]CC1 ZINC000347227957 218162210 /nfs/dbraw/zinc/16/22/10/218162210.db2.gz WQZZRHQLZNWACD-UHFFFAOYSA-N 2 1 290.407 2.422 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CCOCC2)[C@@H](C)C1 ZINC000347434734 218233890 /nfs/dbraw/zinc/23/38/90/218233890.db2.gz UHLIHEWHPKMLJZ-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cs1 ZINC000300410307 379166213 /nfs/dbraw/zinc/16/62/13/379166213.db2.gz GPFGSFRNEFIFMM-JTNHKYCSSA-N 2 1 267.442 2.312 20 0 CEADMP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278916386 194211135 /nfs/dbraw/zinc/21/11/35/194211135.db2.gz HIKHHPBSQXOUQF-KBPBESRZSA-N 2 1 270.380 2.500 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000266606606 190270406 /nfs/dbraw/zinc/27/04/06/190270406.db2.gz GPPFOHARXYWYFF-WBVHZDCISA-N 2 1 276.424 2.302 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000266606606 190270407 /nfs/dbraw/zinc/27/04/07/190270407.db2.gz GPPFOHARXYWYFF-WBVHZDCISA-N 2 1 276.424 2.302 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000266606606 190270408 /nfs/dbraw/zinc/27/04/08/190270408.db2.gz GPPFOHARXYWYFF-WBVHZDCISA-N 2 1 276.424 2.302 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000266606606 190270409 /nfs/dbraw/zinc/27/04/09/190270409.db2.gz GPPFOHARXYWYFF-WBVHZDCISA-N 2 1 276.424 2.302 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)CC)CC1 ZINC000303993171 379505344 /nfs/dbraw/zinc/50/53/44/379505344.db2.gz NQJGXQOELMNBBY-OAHLLOKOSA-N 2 1 256.434 2.201 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCO)CC1 ZINC000305080150 379626086 /nfs/dbraw/zinc/62/60/86/379626086.db2.gz QCMFDIPORSVCMZ-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP CCC(=O)CCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000347756219 218345797 /nfs/dbraw/zinc/34/57/97/218345797.db2.gz ZDTZZRWNJFDJNR-CQSZACIVSA-N 2 1 252.402 2.163 20 0 CEADMP CCC(=O)CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000347756219 218345799 /nfs/dbraw/zinc/34/57/99/218345799.db2.gz ZDTZZRWNJFDJNR-CQSZACIVSA-N 2 1 252.402 2.163 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)O)CC[N@@H+]1Cc1ccccc1 ZINC000267534406 190336181 /nfs/dbraw/zinc/33/61/81/190336181.db2.gz UUVFAWDESQTWDM-ZBFHGGJFSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)O)CC[N@H+]1Cc1ccccc1 ZINC000267534406 190336182 /nfs/dbraw/zinc/33/61/82/190336182.db2.gz UUVFAWDESQTWDM-ZBFHGGJFSA-N 2 1 276.424 2.400 20 0 CEADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527805329 379820495 /nfs/dbraw/zinc/82/04/95/379820495.db2.gz CTDIARVUZOOHNV-CPUCHLNUSA-N 2 1 299.418 2.030 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2COC2)CC[N@@H+]1Cc1ccccc1 ZINC000527822493 379824075 /nfs/dbraw/zinc/82/40/75/379824075.db2.gz WXQTZAUEKRHHRO-WMLDXEAASA-N 2 1 274.408 2.276 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2COC2)CC[N@H+]1Cc1ccccc1 ZINC000527822493 379824076 /nfs/dbraw/zinc/82/40/76/379824076.db2.gz WXQTZAUEKRHHRO-WMLDXEAASA-N 2 1 274.408 2.276 20 0 CEADMP Cc1[nH+]ccn1CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000457828722 379929996 /nfs/dbraw/zinc/92/99/96/379929996.db2.gz JWZUXILXUBRFGN-MRXNPFEDSA-N 2 1 298.390 2.379 20 0 CEADMP Cc1c[nH+]cn1CC(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000528563738 380018283 /nfs/dbraw/zinc/01/82/83/380018283.db2.gz BDCBLVYGGNIHDP-UHFFFAOYSA-N 2 1 286.379 2.200 20 0 CEADMP C[C@@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCCCCC1 ZINC000458159310 380025307 /nfs/dbraw/zinc/02/53/07/380025307.db2.gz DZGRCLIEZQDNJD-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[N@@H+](C)C1CC1 ZINC000268098363 190376546 /nfs/dbraw/zinc/37/65/46/190376546.db2.gz KILIBTCZJMJRBQ-LLVKDONJSA-N 2 1 295.452 2.022 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000488506026 380104750 /nfs/dbraw/zinc/10/47/50/380104750.db2.gz NZOISMBUORVPIE-ZTFGCOKTSA-N 2 1 288.435 2.389 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC000540953440 380263536 /nfs/dbraw/zinc/26/35/36/380263536.db2.gz DDYPFWTWUMYCCZ-UHFFFAOYSA-N 2 1 279.472 2.182 20 0 CEADMP Cc1ncc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cn1 ZINC000536652100 380231935 /nfs/dbraw/zinc/23/19/35/380231935.db2.gz GKBYDIRUMWOLKR-UHFFFAOYSA-N 2 1 276.428 2.337 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(C)n1 ZINC000268787637 190432968 /nfs/dbraw/zinc/43/29/68/190432968.db2.gz WFIVYUOVWYQSNU-LBPRGKRZSA-N 2 1 264.417 2.474 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(C)n1 ZINC000268787637 190432969 /nfs/dbraw/zinc/43/29/69/190432969.db2.gz WFIVYUOVWYQSNU-LBPRGKRZSA-N 2 1 264.417 2.474 20 0 CEADMP Cc1noc(C)c1CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334480132 380471456 /nfs/dbraw/zinc/47/14/56/380471456.db2.gz TWIGOUKUOIUPNT-INIZCTEOSA-N 2 1 277.412 2.252 20 0 CEADMP Cc1noc(C)c1CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334480132 380471467 /nfs/dbraw/zinc/47/14/67/380471467.db2.gz TWIGOUKUOIUPNT-INIZCTEOSA-N 2 1 277.412 2.252 20 0 CEADMP Cc1noc(C)c1CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334480132 380471472 /nfs/dbraw/zinc/47/14/72/380471472.db2.gz TWIGOUKUOIUPNT-INIZCTEOSA-N 2 1 277.412 2.252 20 0 CEADMP Cc1noc(C)c1CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334480132 380471481 /nfs/dbraw/zinc/47/14/81/380471481.db2.gz TWIGOUKUOIUPNT-INIZCTEOSA-N 2 1 277.412 2.252 20 0 CEADMP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000552248740 380697733 /nfs/dbraw/zinc/69/77/33/380697733.db2.gz RERAQIGDYYKVFH-XQQFMLRXSA-N 2 1 265.426 2.414 20 0 CEADMP Cc1cnc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000552248740 380697737 /nfs/dbraw/zinc/69/77/37/380697737.db2.gz RERAQIGDYYKVFH-XQQFMLRXSA-N 2 1 265.426 2.414 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)/C=C/c1ncc[nH]1 ZINC000493517591 381033484 /nfs/dbraw/zinc/03/34/84/381033484.db2.gz KCPSRXCJYGXJGZ-CMDGGOBGSA-N 2 1 290.411 2.146 20 0 CEADMP c1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)oc1C1CC1 ZINC000334786539 207073284 /nfs/dbraw/zinc/07/32/84/207073284.db2.gz VGIKEOVGGXAVEN-UHFFFAOYSA-N 2 1 261.369 2.128 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccco1 ZINC000289431507 197344058 /nfs/dbraw/zinc/34/40/58/197344058.db2.gz KUZKBCTVFNJUHH-HNNXBMFYSA-N 2 1 279.428 2.128 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)n2c1 ZINC000334821492 207134251 /nfs/dbraw/zinc/13/42/51/207134251.db2.gz OYCXEKQOCUMPSV-KBPBESRZSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1ccc2ncc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)n2c1 ZINC000334821492 207134256 /nfs/dbraw/zinc/13/42/56/207134256.db2.gz OYCXEKQOCUMPSV-KBPBESRZSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)n2c1 ZINC000334821498 207136187 /nfs/dbraw/zinc/13/61/87/207136187.db2.gz OYCXEKQOCUMPSV-ZIAGYGMSSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1ccc2ncc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)n2c1 ZINC000334821498 207136190 /nfs/dbraw/zinc/13/61/90/207136190.db2.gz OYCXEKQOCUMPSV-ZIAGYGMSSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]CCCc1cnccc1C ZINC000289366102 197313514 /nfs/dbraw/zinc/31/35/14/197313514.db2.gz ZEJZBPKAYIHCTP-UHFFFAOYSA-N 2 1 258.369 2.117 20 0 CEADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CC[NH2+]C1 ZINC000415087770 532961809 /nfs/dbraw/zinc/96/18/09/532961809.db2.gz WRNMFSKGYYIIOH-CHWSQXEVSA-N 2 1 280.437 2.375 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351500127 296344394 /nfs/dbraw/zinc/34/43/94/296344394.db2.gz WPMJBKGXWJEDAE-JKJDWNRSSA-N 2 1 266.429 2.251 20 0 CEADMP Cc1cccc(C)c1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000335268533 208065565 /nfs/dbraw/zinc/06/55/65/208065565.db2.gz UNTTWQIYJHIPQW-MRXNPFEDSA-N 2 1 288.435 2.491 20 0 CEADMP CC(C)n1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)n1 ZINC000335282141 208095728 /nfs/dbraw/zinc/09/57/28/208095728.db2.gz SDJAQDPMIKIGLJ-CQSZACIVSA-N 2 1 276.428 2.428 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c(C(=O)OC)c2)C[C@H]1C ZINC000353746600 220296115 /nfs/dbraw/zinc/29/61/15/220296115.db2.gz MDYKVAGOTZFPHW-TZMCWYRMSA-N 2 1 293.411 2.106 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c(C(=O)OC)c2)C[C@H]1C ZINC000353746600 220296118 /nfs/dbraw/zinc/29/61/18/220296118.db2.gz MDYKVAGOTZFPHW-TZMCWYRMSA-N 2 1 293.411 2.106 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]c(C(=O)OC)c2)C[C@H]1C ZINC000353746600 220296120 /nfs/dbraw/zinc/29/61/20/220296120.db2.gz MDYKVAGOTZFPHW-TZMCWYRMSA-N 2 1 293.411 2.106 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]c(C(=O)OC)c2)C[C@H]1C ZINC000353746600 220296126 /nfs/dbraw/zinc/29/61/26/220296126.db2.gz MDYKVAGOTZFPHW-TZMCWYRMSA-N 2 1 293.411 2.106 20 0 CEADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000093453085 184677560 /nfs/dbraw/zinc/67/75/60/184677560.db2.gz OIYIQSDPMFLCSS-HRCADAONSA-N 2 1 259.397 2.400 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC2(C[NH+](C)C)CCCC2)[C@H](C)C1 ZINC000129472830 285375915 /nfs/dbraw/zinc/37/59/15/285375915.db2.gz GBFZEIJLYXZTRS-HZPDHXFCSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)[C@H](C)C1 ZINC000129472830 285375916 /nfs/dbraw/zinc/37/59/16/285375916.db2.gz GBFZEIJLYXZTRS-HZPDHXFCSA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)[C@H](C)C1 ZINC000129472830 285375917 /nfs/dbraw/zinc/37/59/17/285375917.db2.gz GBFZEIJLYXZTRS-HZPDHXFCSA-N 3 1 281.488 2.428 20 0 CEADMP CSC1(CNc2cc[nH+]cc2Cl)CC[NH+](C)CC1 ZINC000357561959 533483528 /nfs/dbraw/zinc/48/35/28/533483528.db2.gz FEZBXRMGSYTYBQ-UHFFFAOYSA-N 2 1 285.844 2.396 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cscn1 ZINC000237568356 131042188 /nfs/dbraw/zinc/04/21/88/131042188.db2.gz SBVCXVZYWNLAQZ-SNVBAGLBSA-N 2 1 250.371 2.074 20 0 CEADMP CN(C)C[C@@](C)(O)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000228724237 394476239 /nfs/dbraw/zinc/47/62/39/394476239.db2.gz IYECFDRARUYGKR-ZDUSSCGKSA-N 2 1 290.329 2.108 20 0 CEADMP CCC[N@H+](CC(=O)NC1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000037539140 394497239 /nfs/dbraw/zinc/49/72/39/394497239.db2.gz WFKJFBXGNBGLNP-UHFFFAOYSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[N@@H+](CC(=O)NC1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000037539140 394497240 /nfs/dbraw/zinc/49/72/40/394497240.db2.gz WFKJFBXGNBGLNP-UHFFFAOYSA-N 2 1 295.471 2.145 20 0 CEADMP COc1ccc(OC)c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000044534694 394507242 /nfs/dbraw/zinc/50/72/42/394507242.db2.gz MDYMHTSFPMZRHZ-CYBMUJFWSA-N 2 1 278.396 2.135 20 0 CEADMP COc1ccc(OC)c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000044534694 394507245 /nfs/dbraw/zinc/50/72/45/394507245.db2.gz MDYMHTSFPMZRHZ-CYBMUJFWSA-N 2 1 278.396 2.135 20 0 CEADMP Cn1c2ccccc2[nH+]c1NCCCC[N@H+](C)C1CC1 ZINC000413344387 394530950 /nfs/dbraw/zinc/53/09/50/394530950.db2.gz CLBWSIGCMADTNR-UHFFFAOYSA-N 2 1 272.396 2.282 20 0 CEADMP Cn1c2ccccc2[nH+]c1NCCCC[N@@H+](C)C1CC1 ZINC000413344387 394530952 /nfs/dbraw/zinc/53/09/52/394530952.db2.gz CLBWSIGCMADTNR-UHFFFAOYSA-N 2 1 272.396 2.282 20 0 CEADMP CC(C)(O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309997752 394534494 /nfs/dbraw/zinc/53/44/94/394534494.db2.gz CHEJTMUTXNKWJW-IAGOWNOFSA-N 2 1 288.435 2.211 20 0 CEADMP CC(C)(O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309997752 394534497 /nfs/dbraw/zinc/53/44/97/394534497.db2.gz CHEJTMUTXNKWJW-IAGOWNOFSA-N 2 1 288.435 2.211 20 0 CEADMP CC(C)(O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309997752 394534499 /nfs/dbraw/zinc/53/44/99/394534499.db2.gz CHEJTMUTXNKWJW-IAGOWNOFSA-N 2 1 288.435 2.211 20 0 CEADMP COC[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309981881 394534533 /nfs/dbraw/zinc/53/45/33/394534533.db2.gz VIYXKQLSSJNOOD-JQHSSLGASA-N 2 1 288.435 2.475 20 0 CEADMP COC[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309981881 394534534 /nfs/dbraw/zinc/53/45/34/394534534.db2.gz VIYXKQLSSJNOOD-JQHSSLGASA-N 2 1 288.435 2.475 20 0 CEADMP COC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309981881 394534535 /nfs/dbraw/zinc/53/45/35/394534535.db2.gz VIYXKQLSSJNOOD-JQHSSLGASA-N 2 1 288.435 2.475 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000311319582 394537711 /nfs/dbraw/zinc/53/77/11/394537711.db2.gz BNLOBIONSIJGDX-VXGBXAGGSA-N 2 1 282.350 2.418 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000311319582 394537715 /nfs/dbraw/zinc/53/77/15/394537715.db2.gz BNLOBIONSIJGDX-VXGBXAGGSA-N 2 1 282.350 2.418 20 0 CEADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000312556545 394541787 /nfs/dbraw/zinc/54/17/87/394541787.db2.gz HJIXVUPLEZGFSL-MDZLAQPJSA-N 2 1 292.345 2.170 20 0 CEADMP CCOC[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000313211550 394542446 /nfs/dbraw/zinc/54/24/46/394542446.db2.gz KCRPBOHSQSDQDJ-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2c[nH]c3nccnc23)C[C@@H]1C ZINC000356144422 394547430 /nfs/dbraw/zinc/54/74/30/394547430.db2.gz ZGZAZURTIXEDKF-GXTWGEPZSA-N 2 1 287.411 2.214 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c3nccnc23)C[C@@H]1C ZINC000356144422 394547434 /nfs/dbraw/zinc/54/74/34/394547434.db2.gz ZGZAZURTIXEDKF-GXTWGEPZSA-N 2 1 287.411 2.214 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c3nccnc23)C[C@@H]1C ZINC000356144422 394547437 /nfs/dbraw/zinc/54/74/37/394547437.db2.gz ZGZAZURTIXEDKF-GXTWGEPZSA-N 2 1 287.411 2.214 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC1CCC([NH+](C)C)CC1 ZINC000422004938 394654520 /nfs/dbraw/zinc/65/45/20/394654520.db2.gz HZUGUVPYKDQSMC-FHERZECASA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC000356737380 394597958 /nfs/dbraw/zinc/59/79/58/394597958.db2.gz GOGNSZVVJYHGHL-GOEBONIOSA-N 2 1 291.439 2.134 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000356737380 394597959 /nfs/dbraw/zinc/59/79/59/394597959.db2.gz GOGNSZVVJYHGHL-GOEBONIOSA-N 2 1 291.439 2.134 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000356737380 394597961 /nfs/dbraw/zinc/59/79/61/394597961.db2.gz GOGNSZVVJYHGHL-GOEBONIOSA-N 2 1 291.439 2.134 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000334232372 394666810 /nfs/dbraw/zinc/66/68/10/394666810.db2.gz MUUSNGIRQFGYNO-CXAGYDPISA-N 2 1 258.409 2.331 20 0 CEADMP COC1([C@@H](C)[NH2+]CCn2cc[nH+]c2C)CCCC1 ZINC000421826303 394606325 /nfs/dbraw/zinc/60/63/25/394606325.db2.gz RUGHXRYPBZRIPJ-GFCCVEGCSA-N 2 1 251.374 2.129 20 0 CEADMP COC1([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCCC1 ZINC000421828106 394607886 /nfs/dbraw/zinc/60/78/86/394607886.db2.gz BBHULTYPTSTUBL-RDBSUJKOSA-N 2 1 254.418 2.406 20 0 CEADMP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000421828106 394607888 /nfs/dbraw/zinc/60/78/88/394607888.db2.gz BBHULTYPTSTUBL-RDBSUJKOSA-N 2 1 254.418 2.406 20 0 CEADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCCC1 ZINC000421828103 394607904 /nfs/dbraw/zinc/60/79/04/394607904.db2.gz BBHULTYPTSTUBL-HZSPNIEDSA-N 2 1 254.418 2.406 20 0 CEADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000421828103 394607906 /nfs/dbraw/zinc/60/79/06/394607906.db2.gz BBHULTYPTSTUBL-HZSPNIEDSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3c[nH]nc32)CC[N@@H+]1C ZINC000093644189 394668889 /nfs/dbraw/zinc/66/88/89/394668889.db2.gz YBWGDLRKCKPMGO-DOMZBBRYSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3c[nH]nc32)CC[N@H+]1C ZINC000093644189 394668892 /nfs/dbraw/zinc/66/88/92/394668892.db2.gz YBWGDLRKCKPMGO-DOMZBBRYSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3c[nH]nc32)CC[NH+]1C ZINC000093644189 394668896 /nfs/dbraw/zinc/66/88/96/394668896.db2.gz YBWGDLRKCKPMGO-DOMZBBRYSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3c[nH]nc32)CC[NH+]1C ZINC000093644189 394668899 /nfs/dbraw/zinc/66/88/99/394668899.db2.gz YBWGDLRKCKPMGO-DOMZBBRYSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1CCCOC1 ZINC000356867758 394636858 /nfs/dbraw/zinc/63/68/58/394636858.db2.gz MYJHXFAJZLQRKA-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(O)CCCCCC1 ZINC000087088775 394644636 /nfs/dbraw/zinc/64/46/36/394644636.db2.gz MOKRZYPODRQHJL-ILXRZTDVSA-N 2 1 268.445 2.390 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089140420 394647135 /nfs/dbraw/zinc/64/71/35/394647135.db2.gz YXYWNFXYUFZGSQ-JKSUJKDBSA-N 3 1 267.461 2.216 20 0 CEADMP C1CC2(C1)CC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000335036188 394729843 /nfs/dbraw/zinc/72/98/43/394729843.db2.gz MXUIOZVJLAGSLS-GPANFISMSA-N 2 1 277.456 2.125 20 0 CEADMP CC(C)(CN[C@H]1CCC[C@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422709087 394731892 /nfs/dbraw/zinc/73/18/92/394731892.db2.gz YQOVYSRCTMQMCK-SJORKVTESA-N 2 1 287.451 2.293 20 0 CEADMP CC(C)(CN[C@H]1CCC[C@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422709087 394731894 /nfs/dbraw/zinc/73/18/94/394731894.db2.gz YQOVYSRCTMQMCK-SJORKVTESA-N 2 1 287.451 2.293 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422713861 394734769 /nfs/dbraw/zinc/73/47/69/394734769.db2.gz KJMYCOWWYXAHOB-KSZLIROESA-N 2 1 287.451 2.020 20 0 CEADMP C[C@H]1CCC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000110758065 394737438 /nfs/dbraw/zinc/73/74/38/394737438.db2.gz BHOQVKFKPMIJPA-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422738070 394749370 /nfs/dbraw/zinc/74/93/70/394749370.db2.gz JCQWRKHRXPXFFR-GJZGRUSLSA-N 3 1 255.450 2.358 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422738070 394749372 /nfs/dbraw/zinc/74/93/72/394749372.db2.gz JCQWRKHRXPXFFR-GJZGRUSLSA-N 3 1 255.450 2.358 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@H]3CCOC3)C2)CC1 ZINC000334443001 394685757 /nfs/dbraw/zinc/68/57/57/394685757.db2.gz AOMIHFUOKGYJSY-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@H]3CCOC3)C2)CC1 ZINC000334443001 394685760 /nfs/dbraw/zinc/68/57/60/394685760.db2.gz AOMIHFUOKGYJSY-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]CC2([NH+](C)C)CCCC2)cn1 ZINC000414059855 394688981 /nfs/dbraw/zinc/68/89/81/394688981.db2.gz IWSLFQWSGOYIGK-CQSZACIVSA-N 2 1 291.439 2.485 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cn1 ZINC000414067068 394692689 /nfs/dbraw/zinc/69/26/89/394692689.db2.gz PZRNJAWKWRATSZ-CQSZACIVSA-N 2 1 279.428 2.341 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357065364 394694290 /nfs/dbraw/zinc/69/42/90/394694290.db2.gz ARAKKQYAJVEQFK-FPCVCCKLSA-N 2 1 266.429 2.123 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)CC2 ZINC000357641758 394702128 /nfs/dbraw/zinc/70/21/28/394702128.db2.gz ISUWQECYCWYDBR-VNQPRFMTSA-N 2 1 290.455 2.251 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)CC2 ZINC000357641758 394702130 /nfs/dbraw/zinc/70/21/30/394702130.db2.gz ISUWQECYCWYDBR-VNQPRFMTSA-N 2 1 290.455 2.251 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000357656750 394702331 /nfs/dbraw/zinc/70/23/31/394702331.db2.gz MMNSSCNTZVMHIX-BMFZPTHFSA-N 2 1 290.455 2.394 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000357656750 394702335 /nfs/dbraw/zinc/70/23/35/394702335.db2.gz MMNSSCNTZVMHIX-BMFZPTHFSA-N 2 1 290.455 2.394 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)o1 ZINC000268911012 394702405 /nfs/dbraw/zinc/70/24/05/394702405.db2.gz MVORMSPMQITKOU-GJZGRUSLSA-N 2 1 280.412 2.476 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422734005 394746463 /nfs/dbraw/zinc/74/64/63/394746463.db2.gz BWVOEUTUIQDMAS-ZOBUZTSGSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000422734005 394746465 /nfs/dbraw/zinc/74/64/65/394746465.db2.gz BWVOEUTUIQDMAS-ZOBUZTSGSA-N 2 1 275.440 2.366 20 0 CEADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CCC[N@H+]3C)ccc21 ZINC000334734289 394706928 /nfs/dbraw/zinc/70/69/28/394706928.db2.gz OMRJYFCEZNPEBP-HZPDHXFCSA-N 2 1 287.407 2.268 20 0 CEADMP CNC(=O)C[C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000269015467 394707967 /nfs/dbraw/zinc/70/79/67/394707967.db2.gz YEZICHXBAXGHKN-HUUCEWRRSA-N 2 1 291.439 2.011 20 0 CEADMP C[C@@H]1C[C@@H](C)N(Cc2ncc(C[NH+](C)C)s2)C[C@H]1C[NH3+] ZINC000422561501 394710442 /nfs/dbraw/zinc/71/04/42/394710442.db2.gz LNZHOIWXMUEQJW-JHJVBQTASA-N 2 1 296.484 2.010 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1C[NH3+] ZINC000422561231 394710824 /nfs/dbraw/zinc/71/08/24/394710824.db2.gz JYWQGYOIPNXHDO-TYNCELHUSA-N 2 1 272.396 2.368 20 0 CEADMP CCC(CC)(C[NH3+])NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000269153231 394713328 /nfs/dbraw/zinc/71/33/28/394713328.db2.gz WQJIAPANCYMHMA-AWEZNQCLSA-N 2 1 291.439 2.141 20 0 CEADMP CCCC[C@H](C[NH3+])NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000269182822 394713481 /nfs/dbraw/zinc/71/34/81/394713481.db2.gz AHWWTAYTFRJSET-GOEBONIOSA-N 2 1 291.439 2.141 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422635695 394722254 /nfs/dbraw/zinc/72/22/54/394722254.db2.gz LYUZDXKSRONAMO-IPYPFGDCSA-N 2 1 286.423 2.448 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)nn1C ZINC000414174681 394722883 /nfs/dbraw/zinc/72/28/83/394722883.db2.gz GSRZXELGCIYMHS-KGLIPLIRSA-N 2 1 264.417 2.111 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414691610 394748084 /nfs/dbraw/zinc/74/80/84/394748084.db2.gz JWMGBSZRSJWLEQ-HRCADAONSA-N 2 1 295.471 2.003 20 0 CEADMP COCCOc1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422740047 394750590 /nfs/dbraw/zinc/75/05/90/394750590.db2.gz MWNBCWFLNKAUSR-HOTGVXAUSA-N 2 1 292.423 2.461 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H](C[NH3+])C2CC2)C1 ZINC000414799180 394752620 /nfs/dbraw/zinc/75/26/20/394752620.db2.gz JVCQIXAZORDXRS-XOKHGSTOSA-N 2 1 273.424 2.149 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCO)[C@@H]1CCc2ccccc21 ZINC000271286300 394753318 /nfs/dbraw/zinc/75/33/18/394753318.db2.gz LRQCMLFRMINBHC-SJLPKXTDSA-N 2 1 288.435 2.453 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000271286300 394753322 /nfs/dbraw/zinc/75/33/22/394753322.db2.gz LRQCMLFRMINBHC-SJLPKXTDSA-N 2 1 288.435 2.453 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000271286300 394753327 /nfs/dbraw/zinc/75/33/27/394753327.db2.gz LRQCMLFRMINBHC-SJLPKXTDSA-N 2 1 288.435 2.453 20 0 CEADMP CC[NH2+]CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000414822744 394753419 /nfs/dbraw/zinc/75/34/19/394753419.db2.gz GVGIWGWWTQWRAM-KZNAEPCWSA-N 2 1 287.451 2.096 20 0 CEADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422744626 394754664 /nfs/dbraw/zinc/75/46/64/394754664.db2.gz KKFGIJAHJBBVAD-YQQAZPJKSA-N 2 1 273.424 2.386 20 0 CEADMP COc1ccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422746050 394755592 /nfs/dbraw/zinc/75/55/92/394755592.db2.gz YVLYIDUHAPBNDG-CZUORRHYSA-N 2 1 262.397 2.215 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1ccccc1)[NH+](C)C ZINC000422750528 394758278 /nfs/dbraw/zinc/75/82/78/394758278.db2.gz DEUSEOCDHQYTGJ-DJIMGWMZSA-N 2 1 275.440 2.267 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000422752415 394759962 /nfs/dbraw/zinc/75/99/62/394759962.db2.gz FBEBHWXCQRGTLY-RDBSUJKOSA-N 2 1 255.450 2.212 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000422752413 394759974 /nfs/dbraw/zinc/75/99/74/394759974.db2.gz FBEBHWXCQRGTLY-IHRRRGAJSA-N 2 1 255.450 2.212 20 0 CEADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCC2 ZINC000335489940 394770708 /nfs/dbraw/zinc/77/07/08/394770708.db2.gz YXIRIYFLWYVLKA-WBVHZDCISA-N 2 1 274.408 2.341 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1C[NH2+]C1 ZINC000422840190 394823242 /nfs/dbraw/zinc/82/32/42/394823242.db2.gz SFWXWJKBUJQZQJ-RVKKMQEKSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@H](NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422771253 394773131 /nfs/dbraw/zinc/77/31/31/394773131.db2.gz XHEFWJPNZMQPQJ-ILXRZTDVSA-N 2 1 267.461 2.227 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000414856510 394773447 /nfs/dbraw/zinc/77/34/47/394773447.db2.gz ARFUXMCVQBBEDJ-UHFFFAOYSA-N 2 1 253.415 2.500 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)N1CCC(C)CC1 ZINC000422776474 394776227 /nfs/dbraw/zinc/77/62/27/394776227.db2.gz DRJHTIIQKDIIIK-XHSDSOJGSA-N 2 1 267.461 2.085 20 0 CEADMP CC[C@@H]([NH2+]CCc1ccc(OC)cc1OC)[C@@H]1CCC[NH2+]1 ZINC000422776822 394776744 /nfs/dbraw/zinc/77/67/44/394776744.db2.gz DODJQQWBSUIISN-CVEARBPZSA-N 2 1 292.423 2.367 20 0 CEADMP COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422779119 394778427 /nfs/dbraw/zinc/77/84/27/394778427.db2.gz BLEWJRDNIJFPNW-IHRRRGAJSA-N 2 1 278.396 2.193 20 0 CEADMP c1csc(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000414869072 394779525 /nfs/dbraw/zinc/77/95/25/394779525.db2.gz BJSXBRCPIRXAEZ-UHFFFAOYSA-N 2 1 261.394 2.413 20 0 CEADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422783272 394782051 /nfs/dbraw/zinc/78/20/51/394782051.db2.gz OAMGEDQUZCBTEO-BRWVUGGUSA-N 2 1 276.424 2.476 20 0 CEADMP C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422785970 394783691 /nfs/dbraw/zinc/78/36/91/394783691.db2.gz PWNKAXBJZNPSKH-USXIJHARSA-N 2 1 276.424 2.273 20 0 CEADMP COc1cc2c(c(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C)c1)O[C@H](C)C2 ZINC000414955557 394824029 /nfs/dbraw/zinc/82/40/29/394824029.db2.gz MAYIYLJWTMKCAN-XHBSWPGZSA-N 2 1 290.407 2.106 20 0 CEADMP COc1ccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1F ZINC000422787370 394785899 /nfs/dbraw/zinc/78/58/99/394785899.db2.gz QBJGFQJHDFMHHB-NXEZZACHSA-N 2 1 252.333 2.093 20 0 CEADMP C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C1C[NH2+]C1 ZINC000422791662 394789265 /nfs/dbraw/zinc/78/92/65/394789265.db2.gz QMNXBUWPIFBUIC-HNNXBMFYSA-N 2 1 287.451 2.370 20 0 CEADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422791781 394789524 /nfs/dbraw/zinc/78/95/24/394789524.db2.gz DEYRROFDKLVGCO-LSDHHAIUSA-N 2 1 275.396 2.251 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)NCCC[N@@H+](C)C1CCCCC1 ZINC000422804114 394799107 /nfs/dbraw/zinc/79/91/07/394799107.db2.gz KAPYNLBFBQVQQS-KGLIPLIRSA-N 2 1 255.450 2.356 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000422804114 394799109 /nfs/dbraw/zinc/79/91/09/394799109.db2.gz KAPYNLBFBQVQQS-KGLIPLIRSA-N 3 1 255.450 2.356 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000422804114 394799110 /nfs/dbraw/zinc/79/91/10/394799110.db2.gz KAPYNLBFBQVQQS-KGLIPLIRSA-N 3 1 255.450 2.356 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cn1 ZINC000414913460 394800946 /nfs/dbraw/zinc/80/09/46/394800946.db2.gz ZYCJOEHTLDFTNP-OAHLLOKOSA-N 2 1 276.428 2.158 20 0 CEADMP Cc1ccc2[nH]c(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])nc2c1 ZINC000422810507 394802942 /nfs/dbraw/zinc/80/29/42/394802942.db2.gz NIARNASELGRBIP-NEPJUHHUSA-N 2 1 258.369 2.088 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])[nH]c2c1 ZINC000422810507 394802949 /nfs/dbraw/zinc/80/29/49/394802949.db2.gz NIARNASELGRBIP-NEPJUHHUSA-N 2 1 258.369 2.088 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1OC(F)F ZINC000422814546 394806146 /nfs/dbraw/zinc/80/61/46/394806146.db2.gz VIMJSEHWIWXNME-WDEREUQCSA-N 2 1 286.322 2.266 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422816807 394808104 /nfs/dbraw/zinc/80/81/04/394808104.db2.gz BNAOFVHMOQTGSF-JSGCOSHPSA-N 2 1 290.407 2.281 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422817947 394809132 /nfs/dbraw/zinc/80/91/32/394809132.db2.gz IUNKRAWRQYPAFK-HOCLYGCPSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H](CCN[C@@H]1C[NH2+]CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000422818238 394809203 /nfs/dbraw/zinc/80/92/03/394809203.db2.gz FSXOVZTWNQDCGV-SOLBZPMBSA-N 2 1 289.467 2.485 20 0 CEADMP C[C@H]([NH2+]CCc1cc(F)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000422818486 394809979 /nfs/dbraw/zinc/80/99/79/394809979.db2.gz GMBOSSCILRNFGI-HZMBPMFUSA-N 2 1 254.324 2.237 20 0 CEADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H](C)C[NH3+] ZINC000414945314 394816394 /nfs/dbraw/zinc/81/63/94/394816394.db2.gz QADYFAARQSHICB-BDAKNGLRSA-N 2 1 289.192 2.456 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[NH2+]1 ZINC000414949145 394819563 /nfs/dbraw/zinc/81/95/63/394819563.db2.gz NCJOKLRNXZIRKT-CMPLNLGQSA-N 2 1 296.798 2.341 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c2ccccc21 ZINC000361209247 394819740 /nfs/dbraw/zinc/81/97/40/394819740.db2.gz ROZVWXRGXIDFSW-IOASZLSFSA-N 2 1 262.397 2.137 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422836354 394819957 /nfs/dbraw/zinc/81/99/57/394819957.db2.gz JSYUMYLVULCRTR-DOTOQJQBSA-N 3 1 281.488 2.332 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)n1-c1ccccc1 ZINC000414951598 394820708 /nfs/dbraw/zinc/82/07/08/394820708.db2.gz HPQPJKGSSNZRMW-CXAGYDPISA-N 2 1 284.407 2.268 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000422837630 394821051 /nfs/dbraw/zinc/82/10/51/394821051.db2.gz MOTXMRNAYVANJE-QZWWFDLISA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2N)CC1 ZINC000422837766 394821186 /nfs/dbraw/zinc/82/11/86/394821186.db2.gz MRLWFIOONCBXGN-HOTGVXAUSA-N 2 1 267.461 2.214 20 0 CEADMP CC[C@@H]([NH2+]CCOc1ccc(Cl)cn1)[C@@H]1CCC[NH2+]1 ZINC000422926963 394864270 /nfs/dbraw/zinc/86/42/70/394864270.db2.gz FHJNTODCOVGZPM-OLZOCXBDSA-N 2 1 283.803 2.234 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)CCO1 ZINC000415055621 394867438 /nfs/dbraw/zinc/86/74/38/394867438.db2.gz OMLMPLBHUQEKDK-KBUPBQIOSA-N 2 1 254.418 2.108 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C[C@H]1OC ZINC000422944119 394867914 /nfs/dbraw/zinc/86/79/14/394867914.db2.gz RQKDNLBWBZHEMZ-REWJHTLYSA-N 2 1 254.418 2.168 20 0 CEADMP CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000336803109 394873593 /nfs/dbraw/zinc/87/35/93/394873593.db2.gz XCKWYTMLUMWFFZ-HUUCEWRRSA-N 2 1 265.401 2.207 20 0 CEADMP CC[C@@H](O)[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000336803109 394873595 /nfs/dbraw/zinc/87/35/95/394873595.db2.gz XCKWYTMLUMWFFZ-HUUCEWRRSA-N 2 1 265.401 2.207 20 0 CEADMP CCc1noc(CC)c1C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415077482 394878360 /nfs/dbraw/zinc/87/83/60/394878360.db2.gz FHHVARCJJGTBLG-NWDGAFQWSA-N 2 1 265.401 2.420 20 0 CEADMP COc1ccc(OC)c(CCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423008595 394878601 /nfs/dbraw/zinc/87/86/01/394878601.db2.gz AMTQJPLDPARXRD-CZUORRHYSA-N 2 1 292.423 2.224 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC000336822849 394879524 /nfs/dbraw/zinc/87/95/24/394879524.db2.gz NFHAVRFSACVONV-DLBZAZTESA-N 2 1 280.456 2.467 20 0 CEADMP Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)CCC2 ZINC000423010275 394880001 /nfs/dbraw/zinc/88/00/01/394880001.db2.gz XIENXPDEHAYREM-RBSFLKMASA-N 2 1 276.428 2.189 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000414961169 394827396 /nfs/dbraw/zinc/82/73/96/394827396.db2.gz RPVJWORAWSUKKY-SMDDNHRTSA-N 2 1 271.364 2.028 20 0 CEADMP Cc1ccc(OCCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422854133 394830837 /nfs/dbraw/zinc/83/08/37/394830837.db2.gz AGAKPYPWZBIMEC-GDBMZVCRSA-N 2 1 262.397 2.352 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCn2ccnc21 ZINC000361657425 394834352 /nfs/dbraw/zinc/83/43/52/394834352.db2.gz CKANBFOHOSRNQV-KBUPBQIOSA-N 2 1 276.428 2.079 20 0 CEADMP COc1ccc(OC)c(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000414979084 394834776 /nfs/dbraw/zinc/83/47/76/394834776.db2.gz URBQKORVGFTYAR-HNNXBMFYSA-N 2 1 278.396 2.182 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCOCC1 ZINC000361733493 394835229 /nfs/dbraw/zinc/83/52/29/394835229.db2.gz BXMGJHPFYMRWCP-QEJZJMRPSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCOCC1 ZINC000361733493 394835231 /nfs/dbraw/zinc/83/52/31/394835231.db2.gz BXMGJHPFYMRWCP-QEJZJMRPSA-N 2 1 254.418 2.264 20 0 CEADMP COCCOc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422868481 394839416 /nfs/dbraw/zinc/83/94/16/394839416.db2.gz VEPKLAUJABYZCQ-IAGOWNOFSA-N 2 1 292.423 2.461 20 0 CEADMP CC[C@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414996915 394841776 /nfs/dbraw/zinc/84/17/76/394841776.db2.gz YLHJOUPHSDLCBP-PVAVHDDUSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CNCC[C@@H]2C)C1 ZINC000422875999 394843415 /nfs/dbraw/zinc/84/34/15/394843415.db2.gz FRRFVSTZMCHSLR-VVLHAWIVSA-N 2 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422875999 394843419 /nfs/dbraw/zinc/84/34/19/394843419.db2.gz FRRFVSTZMCHSLR-VVLHAWIVSA-N 2 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422875999 394843424 /nfs/dbraw/zinc/84/34/24/394843424.db2.gz FRRFVSTZMCHSLR-VVLHAWIVSA-N 2 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422875999 394843427 /nfs/dbraw/zinc/84/34/27/394843427.db2.gz FRRFVSTZMCHSLR-VVLHAWIVSA-N 3 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422875999 394843432 /nfs/dbraw/zinc/84/34/32/394843432.db2.gz FRRFVSTZMCHSLR-VVLHAWIVSA-N 3 1 281.488 2.332 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000422875215 394843562 /nfs/dbraw/zinc/84/35/62/394843562.db2.gz OOCUXAKIASVBOW-BODMPHMZSA-N 2 1 287.451 2.017 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000415003206 394843991 /nfs/dbraw/zinc/84/39/91/394843991.db2.gz FNEWNHICBJDQHN-NEPJUHHUSA-N 2 1 272.352 2.094 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000415003209 394844166 /nfs/dbraw/zinc/84/41/66/394844166.db2.gz FNEWNHICBJDQHN-RYUDHWBXSA-N 2 1 272.352 2.094 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC1([NH+](C)C)CCCC1 ZINC000125528555 394844324 /nfs/dbraw/zinc/84/43/24/394844324.db2.gz PBXRSTNWGDBXRL-KFWWJZLASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422877624 394844483 /nfs/dbraw/zinc/84/44/83/394844483.db2.gz IJNQPYNPUPKDOD-DGADGQDISA-N 2 1 267.461 2.083 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCN(C)c1ccccc1 ZINC000125880167 394845108 /nfs/dbraw/zinc/84/51/08/394845108.db2.gz VVDBXVZFJRONMA-HLLBOEOZSA-N 2 1 275.440 2.441 20 0 CEADMP CCCOc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1OC ZINC000415005620 394845577 /nfs/dbraw/zinc/84/55/77/394845577.db2.gz JGKKPHWTXXMMHR-NWDGAFQWSA-N 2 1 266.385 2.309 20 0 CEADMP CCCc1csc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)n1 ZINC000415007537 394846060 /nfs/dbraw/zinc/84/60/60/394846060.db2.gz UYMZLMUNNWUSER-SNVBAGLBSA-N 2 1 289.395 2.430 20 0 CEADMP C[C@H]([NH3+])[C@H](C)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000415007796 394846153 /nfs/dbraw/zinc/84/61/53/394846153.db2.gz DEXVNMGWEVITTE-YXWQFLTLSA-N 2 1 261.413 2.147 20 0 CEADMP CC[N@@H+](CCN[C@@H]1C[C@H]([NH3+])c2ccccc21)C(C)C ZINC000422880538 394847106 /nfs/dbraw/zinc/84/71/06/394847106.db2.gz OHAXJCKTZIWGPF-JKSUJKDBSA-N 2 1 261.413 2.451 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000415011615 394848299 /nfs/dbraw/zinc/84/82/99/394848299.db2.gz QWZDWJJMRVIMPI-NXEZZACHSA-N 2 1 276.302 2.453 20 0 CEADMP Cc1nc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)sc1C ZINC000422888243 394851417 /nfs/dbraw/zinc/85/14/17/394851417.db2.gz CGXZECJOCVACCG-PWSUYJOCSA-N 2 1 253.415 2.033 20 0 CEADMP CC[C@@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422890658 394853220 /nfs/dbraw/zinc/85/32/20/394853220.db2.gz SUVUQOJUVDCRSM-QXSJWSMHSA-N 2 1 267.461 2.370 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccccc1-n1cccn1 ZINC000415088372 394884088 /nfs/dbraw/zinc/88/40/88/394884088.db2.gz LXGWXDGBYXGSNZ-HNNXBMFYSA-N 2 1 272.396 2.335 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000422913717 394861225 /nfs/dbraw/zinc/86/12/25/394861225.db2.gz QOJBAWFUFSUQMS-RISCZKNCSA-N 2 1 295.814 2.256 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423268601 394888830 /nfs/dbraw/zinc/88/88/30/394888830.db2.gz GQFQLBYIGXDACY-BRWVUGGUSA-N 2 1 275.440 2.395 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000415101362 394890453 /nfs/dbraw/zinc/89/04/53/394890453.db2.gz BGNKGIJIUBYZTE-DOMZBBRYSA-N 2 1 278.444 2.327 20 0 CEADMP C[N@@H+]1CC[C@H](NCC(F)(F)C[NH3+])C[C@@H]1c1ccccc1 ZINC000423344864 394893231 /nfs/dbraw/zinc/89/32/31/394893231.db2.gz NDPXYIGDXPGDHD-UONOGXRCSA-N 2 1 283.366 2.006 20 0 CEADMP C[N@H+]1CC[C@H](NCC(F)(F)C[NH3+])C[C@@H]1c1ccccc1 ZINC000423344864 394893234 /nfs/dbraw/zinc/89/32/34/394893234.db2.gz NDPXYIGDXPGDHD-UONOGXRCSA-N 2 1 283.366 2.006 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)NCCC(C)C ZINC000130794715 394896453 /nfs/dbraw/zinc/89/64/53/394896453.db2.gz XSYOEMUENKFRCV-AWEZNQCLSA-N 2 1 294.443 2.064 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)NCCC(C)C ZINC000130794715 394896455 /nfs/dbraw/zinc/89/64/55/394896455.db2.gz XSYOEMUENKFRCV-AWEZNQCLSA-N 2 1 294.443 2.064 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000415125464 394897416 /nfs/dbraw/zinc/89/74/16/394897416.db2.gz LGDOINUWFIZAAT-AAEUAGOBSA-N 2 1 288.395 2.395 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000415125961 394899134 /nfs/dbraw/zinc/89/91/34/394899134.db2.gz FTYLGKHJDHPTJG-UHFFFAOYSA-N 2 1 286.379 2.310 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000415125961 394899138 /nfs/dbraw/zinc/89/91/38/394899138.db2.gz FTYLGKHJDHPTJG-UHFFFAOYSA-N 2 1 286.379 2.310 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000423355117 394899207 /nfs/dbraw/zinc/89/92/07/394899207.db2.gz DWEKOTYPQQPZMN-CHWSQXEVSA-N 2 1 278.396 2.497 20 0 CEADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423356600 394900110 /nfs/dbraw/zinc/90/01/10/394900110.db2.gz GYIKJKXNHUPXQW-FMKPAKJESA-N 2 1 261.413 2.380 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000423362560 394901370 /nfs/dbraw/zinc/90/13/70/394901370.db2.gz BFTZOGVJHPJGJV-ZTFGCOKTSA-N 2 1 296.418 2.348 20 0 CEADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415137191 394901654 /nfs/dbraw/zinc/90/16/54/394901654.db2.gz XXRYIGWVKJECJV-DZGCQCFKSA-N 2 1 279.432 2.056 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C[C@@H]1C[NH3+] ZINC000415138716 394902833 /nfs/dbraw/zinc/90/28/33/394902833.db2.gz ZBMALNHSQYZFEX-STQMWFEESA-N 2 1 290.436 2.351 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH3+])c2ccccc21 ZINC000423384423 394907832 /nfs/dbraw/zinc/90/78/32/394907832.db2.gz FXZBHIGWXAQYEM-GLQYFDAESA-N 2 1 276.380 2.105 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423398128 394915160 /nfs/dbraw/zinc/91/51/60/394915160.db2.gz TZBZWNPXZONNRT-OAHLLOKOSA-N 2 1 283.460 2.132 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423420685 394918193 /nfs/dbraw/zinc/91/81/93/394918193.db2.gz JOWJQWFTIJMJSN-QCODTGAPSA-N 3 1 267.461 2.070 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423420685 394918196 /nfs/dbraw/zinc/91/81/96/394918196.db2.gz JOWJQWFTIJMJSN-QCODTGAPSA-N 2 1 267.461 2.070 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000132162056 394926327 /nfs/dbraw/zinc/92/63/27/394926327.db2.gz POANBDWFRCFKOD-ZBFHGGJFSA-N 2 1 288.439 2.112 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000132162056 394926329 /nfs/dbraw/zinc/92/63/29/394926329.db2.gz POANBDWFRCFKOD-ZBFHGGJFSA-N 2 1 288.439 2.112 20 0 CEADMP c1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CC2)cc1 ZINC000423484699 394931112 /nfs/dbraw/zinc/93/11/12/394931112.db2.gz ABSSDDLIGXIBKK-HOTGVXAUSA-N 2 1 260.381 2.106 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc2ccccc21 ZINC000423487260 394932026 /nfs/dbraw/zinc/93/20/26/394932026.db2.gz WXQCTZCYEVSFMT-HOCLYGCPSA-N 2 1 283.419 2.394 20 0 CEADMP Cc1cc(N)cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000423489642 394933268 /nfs/dbraw/zinc/93/32/68/394933268.db2.gz WPQXEILWYZUTOF-WOSRLPQWSA-N 2 1 261.413 2.396 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)[C@H]1C ZINC000423497892 394936256 /nfs/dbraw/zinc/93/62/56/394936256.db2.gz HOJBGOHBHFRTPJ-MXAVVETBSA-N 2 1 282.428 2.071 20 0 CEADMP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000423499539 394936428 /nfs/dbraw/zinc/93/64/28/394936428.db2.gz BXUCAYYRFVDFIK-LTIDMASMSA-N 2 1 274.408 2.147 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1(C)C ZINC000423503730 394938149 /nfs/dbraw/zinc/93/81/49/394938149.db2.gz NDCOYHRVMZLTNP-BFHYXJOUSA-N 2 1 254.418 2.297 20 0 CEADMP CCOC[C@H]1CCC[C@H]1[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423506314 394939504 /nfs/dbraw/zinc/93/95/04/394939504.db2.gz IDRGLSQXOMTHKA-KBUPBQIOSA-N 2 1 254.418 2.108 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCC2 ZINC000423522902 394943963 /nfs/dbraw/zinc/94/39/63/394943963.db2.gz RXMXUMRZBKBKOU-DOTOQJQBSA-N 2 1 290.407 2.041 20 0 CEADMP CC[C@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@H]1CCOC1 ZINC000133276975 394948081 /nfs/dbraw/zinc/94/80/81/394948081.db2.gz JFURVQMMQFOPAK-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@H]1CCOC1 ZINC000133276975 394948082 /nfs/dbraw/zinc/94/80/82/394948082.db2.gz JFURVQMMQFOPAK-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340186972 394980756 /nfs/dbraw/zinc/98/07/56/394980756.db2.gz OAUJJZCZMZROBN-HZPDHXFCSA-N 2 1 262.397 2.448 20 0 CEADMP CCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340186972 394980760 /nfs/dbraw/zinc/98/07/60/394980760.db2.gz OAUJJZCZMZROBN-HZPDHXFCSA-N 2 1 262.397 2.448 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C[C@@H]1c1ccccc1 ZINC000340272395 394981446 /nfs/dbraw/zinc/98/14/46/394981446.db2.gz RORCVYPLGPXMLC-XOYOTBSWSA-N 2 1 286.419 2.349 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C[C@@H]1c1ccccc1 ZINC000340272395 394981447 /nfs/dbraw/zinc/98/14/47/394981447.db2.gz RORCVYPLGPXMLC-XOYOTBSWSA-N 2 1 286.419 2.349 20 0 CEADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340366630 394983842 /nfs/dbraw/zinc/98/38/42/394983842.db2.gz TYLWHBXRLLZMGY-FVQBIDKESA-N 2 1 262.397 2.446 20 0 CEADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340366630 394983846 /nfs/dbraw/zinc/98/38/46/394983846.db2.gz TYLWHBXRLLZMGY-FVQBIDKESA-N 2 1 262.397 2.446 20 0 CEADMP CCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285916270 394984781 /nfs/dbraw/zinc/98/47/81/394984781.db2.gz LAMITIHJGXAXIT-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000153768621 395017942 /nfs/dbraw/zinc/01/79/42/395017942.db2.gz OUUSTGOBRKYLMN-ZIAGYGMSSA-N 2 1 256.434 2.369 20 0 CEADMP CC1CC[NH+](CCN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000154718475 395023866 /nfs/dbraw/zinc/02/38/66/395023866.db2.gz UOYNRMCLTAFBCO-IAGOWNOFSA-N 2 1 279.472 2.134 20 0 CEADMP CC[C@@H](C(N)=O)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158984861 395057703 /nfs/dbraw/zinc/05/77/03/395057703.db2.gz ODFVBLBMLKPUNU-HOCLYGCPSA-N 2 1 295.471 2.227 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000161977421 395068585 /nfs/dbraw/zinc/06/85/85/395068585.db2.gz WWTNTDBQIIWXOC-IRXDYDNUSA-N 2 1 279.472 2.421 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCn2ccnc2C)C1 ZINC000162098469 395070672 /nfs/dbraw/zinc/07/06/72/395070672.db2.gz QUQKYJBHRWSRTM-MRXNPFEDSA-N 3 1 278.444 2.245 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCCn2ccnc2C)C1 ZINC000162098469 395070677 /nfs/dbraw/zinc/07/06/77/395070677.db2.gz QUQKYJBHRWSRTM-MRXNPFEDSA-N 3 1 278.444 2.245 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCCn2ccnc2C)C1 ZINC000162098469 395070682 /nfs/dbraw/zinc/07/06/82/395070682.db2.gz QUQKYJBHRWSRTM-MRXNPFEDSA-N 3 1 278.444 2.245 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000162636780 395078209 /nfs/dbraw/zinc/07/82/09/395078209.db2.gz YMWYIPFWUNAURR-UKRRQHHQSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000162636780 395078211 /nfs/dbraw/zinc/07/82/11/395078211.db2.gz YMWYIPFWUNAURR-UKRRQHHQSA-N 2 1 265.401 2.207 20 0 CEADMP C[NH2+]CCN(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000346660275 395102926 /nfs/dbraw/zinc/10/29/26/395102926.db2.gz AJPGWUCQNUDBMU-UHFFFAOYSA-N 2 1 277.456 2.296 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427120787 395093436 /nfs/dbraw/zinc/09/34/36/395093436.db2.gz VAOSAMKWDBESSV-FRFSOERESA-N 2 1 274.408 2.483 20 0 CEADMP C[C@@H](CC(=O)NCC[N@@H+](C)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000156193061 395031226 /nfs/dbraw/zinc/03/12/26/395031226.db2.gz HMNYDDHBHPGNON-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP COCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000372064543 395034094 /nfs/dbraw/zinc/03/40/94/395034094.db2.gz FYFWKPBZPVTJAS-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP COCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000372064543 395034097 /nfs/dbraw/zinc/03/40/97/395034097.db2.gz FYFWKPBZPVTJAS-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP COc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cn1 ZINC000436405997 395114478 /nfs/dbraw/zinc/11/44/78/395114478.db2.gz FVGXAHBAXOOCRN-UHFFFAOYSA-N 2 1 277.412 2.302 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cncc(F)c1 ZINC000494548462 395119916 /nfs/dbraw/zinc/11/99/16/395119916.db2.gz NZXFGOIEDYPMIW-NSHDSACASA-N 2 1 262.332 2.152 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)CC1(C)C ZINC000347484372 395124891 /nfs/dbraw/zinc/12/48/91/395124891.db2.gz OCOVXPLPAYVHFQ-UHFFFAOYSA-N 2 1 297.487 2.441 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000290616980 395110845 /nfs/dbraw/zinc/11/08/45/395110845.db2.gz WZLFJCCKMWCQLC-UKRRQHHQSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000290616980 395110851 /nfs/dbraw/zinc/11/08/51/395110851.db2.gz WZLFJCCKMWCQLC-UKRRQHHQSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000290616980 395110855 /nfs/dbraw/zinc/11/08/55/395110855.db2.gz WZLFJCCKMWCQLC-UKRRQHHQSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000290616980 395110861 /nfs/dbraw/zinc/11/08/61/395110861.db2.gz WZLFJCCKMWCQLC-UKRRQHHQSA-N 2 1 290.407 2.317 20 0 CEADMP CC(C)OC1CC([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000428072559 395135221 /nfs/dbraw/zinc/13/52/21/395135221.db2.gz AUNWVROANBJXQE-UHFFFAOYSA-N 2 1 296.455 2.177 20 0 CEADMP CC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377331145 395136886 /nfs/dbraw/zinc/13/68/86/395136886.db2.gz RGBKDJXSFJQCQG-ZWKOTPCHSA-N 2 1 286.419 2.419 20 0 CEADMP CC(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377331145 395136890 /nfs/dbraw/zinc/13/68/90/395136890.db2.gz RGBKDJXSFJQCQG-ZWKOTPCHSA-N 2 1 286.419 2.419 20 0 CEADMP CC(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377331145 395136894 /nfs/dbraw/zinc/13/68/94/395136894.db2.gz RGBKDJXSFJQCQG-ZWKOTPCHSA-N 2 1 286.419 2.419 20 0 CEADMP CC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377331145 395136898 /nfs/dbraw/zinc/13/68/98/395136898.db2.gz RGBKDJXSFJQCQG-ZWKOTPCHSA-N 2 1 286.419 2.419 20 0 CEADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000380322758 395167830 /nfs/dbraw/zinc/16/78/30/395167830.db2.gz ONFAQGTVPNJHSM-RDJZCZTQSA-N 2 1 274.408 2.366 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000380322758 395167833 /nfs/dbraw/zinc/16/78/33/395167833.db2.gz ONFAQGTVPNJHSM-RDJZCZTQSA-N 2 1 274.408 2.366 20 0 CEADMP CC(C)[NH2+]C1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351529937 395226887 /nfs/dbraw/zinc/22/68/87/395226887.db2.gz GZIAIQCUMFDHIE-MRXNPFEDSA-N 2 1 267.461 2.323 20 0 CEADMP CCC(C)(C)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351712805 395230349 /nfs/dbraw/zinc/23/03/49/395230349.db2.gz RGKZEQBOBIFLOU-HUUCEWRRSA-N 2 1 268.445 2.342 20 0 CEADMP CCC(C)(C)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351712805 395230351 /nfs/dbraw/zinc/23/03/51/395230351.db2.gz RGKZEQBOBIFLOU-HUUCEWRRSA-N 2 1 268.445 2.342 20 0 CEADMP CCC(C)(C)[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351712805 395230355 /nfs/dbraw/zinc/23/03/55/395230355.db2.gz RGKZEQBOBIFLOU-HUUCEWRRSA-N 2 1 268.445 2.342 20 0 CEADMP CCC(C)(C)[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351712805 395230359 /nfs/dbraw/zinc/23/03/59/395230359.db2.gz RGKZEQBOBIFLOU-HUUCEWRRSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH2+]CCCN1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000382740580 395183328 /nfs/dbraw/zinc/18/33/28/395183328.db2.gz MSHNEVNGBANQMA-INIZCTEOSA-N 2 1 275.440 2.192 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000433034134 395192166 /nfs/dbraw/zinc/19/21/66/395192166.db2.gz RMDSJDIVTWKOAZ-OAHLLOKOSA-N 2 1 277.412 2.351 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000433034134 395192167 /nfs/dbraw/zinc/19/21/67/395192167.db2.gz RMDSJDIVTWKOAZ-OAHLLOKOSA-N 2 1 277.412 2.351 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000180253011 395201005 /nfs/dbraw/zinc/20/10/05/395201005.db2.gz YUYREMHZYILQOX-KBXIAJHMSA-N 2 1 254.418 2.264 20 0 CEADMP CC1(C)CC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000433239216 395218209 /nfs/dbraw/zinc/21/82/09/395218209.db2.gz FIVDNROJXQYDIU-SFHVURJKSA-N 2 1 288.435 2.402 20 0 CEADMP CC1(C)CC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000433239216 395218213 /nfs/dbraw/zinc/21/82/13/395218213.db2.gz FIVDNROJXQYDIU-SFHVURJKSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000397321236 395222465 /nfs/dbraw/zinc/22/24/65/395222465.db2.gz BFHOTGSRNZFTCG-XJKCOSOUSA-N 2 1 274.408 2.427 20 0 CEADMP COc1ccc(OCC[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000397308616 395223180 /nfs/dbraw/zinc/22/31/80/395223180.db2.gz NOSUWDFCQYRMDB-KKUMJFAQSA-N 2 1 292.423 2.379 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC[N@@H+]1C ZINC000181814039 395225212 /nfs/dbraw/zinc/22/52/12/395225212.db2.gz PNGSZUSZRGFESI-CWVYHPPDSA-N 2 1 278.440 2.406 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC[N@H+]1C ZINC000181814039 395225216 /nfs/dbraw/zinc/22/52/16/395225216.db2.gz PNGSZUSZRGFESI-CWVYHPPDSA-N 2 1 278.440 2.406 20 0 CEADMP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420323767 395326088 /nfs/dbraw/zinc/32/60/88/395326088.db2.gz UWAUKVZUWVLFGJ-CABCVRRESA-N 2 1 276.428 2.173 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccncc2)[C@H]2CCC[C@H]21 ZINC000353419843 395297329 /nfs/dbraw/zinc/29/73/29/395297329.db2.gz CXBKTDDBXDPRFT-OWCLPIDISA-N 2 1 259.397 2.087 20 0 CEADMP C[N@@H+](CCCOc1ccccc1)CC[C@@H]1CC[NH2+]C1 ZINC000420323942 395326175 /nfs/dbraw/zinc/32/61/75/395326175.db2.gz URORCZVDZHIUFX-HNNXBMFYSA-N 2 1 262.397 2.387 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353463619 395298535 /nfs/dbraw/zinc/29/85/35/395298535.db2.gz MZNLDAPIIIWTNO-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353463619 395298537 /nfs/dbraw/zinc/29/85/37/395298537.db2.gz MZNLDAPIIIWTNO-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353463619 395298539 /nfs/dbraw/zinc/29/85/39/395298539.db2.gz MZNLDAPIIIWTNO-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353463619 395298542 /nfs/dbraw/zinc/29/85/42/395298542.db2.gz MZNLDAPIIIWTNO-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420322336 395326227 /nfs/dbraw/zinc/32/62/27/395326227.db2.gz DRUUOHXMYAWXRI-QWHCGFSZSA-N 2 1 294.361 2.277 20 0 CEADMP C[C@](C[NH3+])([NH2+]CCC(=O)Nc1ccc(Cl)cc1)C1CC1 ZINC000420297976 395303713 /nfs/dbraw/zinc/30/37/13/395303713.db2.gz ZJKCFDLEVOEHRR-OAHLLOKOSA-N 2 1 295.814 2.386 20 0 CEADMP NC(=O)C[N@@H+](CCC1CCCCC1)CC[C@@H]1CCC[NH2+]C1 ZINC000420298097 395303923 /nfs/dbraw/zinc/30/39/23/395303923.db2.gz GSFFFIOVPSYLNT-INIZCTEOSA-N 2 1 295.471 2.134 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCc3ccncc3)C[C@@H]21 ZINC000420302433 395307839 /nfs/dbraw/zinc/30/78/39/395307839.db2.gz GCCUAZHYEOMLCY-HRCADAONSA-N 2 1 259.397 2.073 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420305405 395309187 /nfs/dbraw/zinc/30/91/87/395309187.db2.gz KDOOSEMFWDLSGA-KRWDZBQOSA-N 2 1 274.408 2.313 20 0 CEADMP C[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)[C@@H]1c1cccc(F)c1 ZINC000420304453 395309853 /nfs/dbraw/zinc/30/98/53/395309853.db2.gz ONPJBORGNQQGCH-PBHICJAKSA-N 2 1 291.414 2.114 20 0 CEADMP C[C@@H]1CCCN(C(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)C1 ZINC000420307711 395312810 /nfs/dbraw/zinc/31/28/10/395312810.db2.gz CDSDWJWDJCHBCP-OAHLLOKOSA-N 2 1 295.471 2.086 20 0 CEADMP C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000420312029 395316647 /nfs/dbraw/zinc/31/66/47/395316647.db2.gz HPIWIOBYSOCBFY-IRXDYDNUSA-N 3 1 279.472 2.326 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(C)s1 ZINC000420312689 395316670 /nfs/dbraw/zinc/31/66/70/395316670.db2.gz IHKYJHJWDUBDSH-GXSJLCMTSA-N 2 1 282.409 2.012 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(C)s1 ZINC000420312689 395316674 /nfs/dbraw/zinc/31/66/74/395316674.db2.gz IHKYJHJWDUBDSH-GXSJLCMTSA-N 2 1 282.409 2.012 20 0 CEADMP CCCCNC(=O)[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420315136 395318666 /nfs/dbraw/zinc/31/86/66/395318666.db2.gz ZSVYGBIQSVMXEP-CVEARBPZSA-N 2 1 295.471 2.004 20 0 CEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1cccc(Cl)c1 ZINC000420317704 395320360 /nfs/dbraw/zinc/32/03/60/395320360.db2.gz NUEKGWRPMCXTDU-GFCCVEGCSA-N 2 1 295.814 2.210 20 0 CEADMP CO[C@@H](CC(C)C)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000419291594 395255683 /nfs/dbraw/zinc/25/56/83/395255683.db2.gz LMLWRZCXWJQLKT-HNNXBMFYSA-N 2 1 256.434 2.465 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000355057679 395356450 /nfs/dbraw/zinc/35/64/50/395356450.db2.gz FIYQATLZPUSHQT-HUUCEWRRSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000355057679 395356452 /nfs/dbraw/zinc/35/64/52/395356452.db2.gz FIYQATLZPUSHQT-HUUCEWRRSA-N 3 1 267.461 2.038 20 0 CEADMP c1ccc(C[C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420370146 395357479 /nfs/dbraw/zinc/35/74/79/395357479.db2.gz YNSDTUJINHDQPF-ZWKOTPCHSA-N 2 1 288.435 2.320 20 0 CEADMP C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)[C@H]1CCCCO1 ZINC000420406578 395372054 /nfs/dbraw/zinc/37/20/54/395372054.db2.gz USTUHVLTTNYOLZ-ARFHVFGLSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420404171 395372731 /nfs/dbraw/zinc/37/27/31/395372731.db2.gz LTLOZPIDCAMIQA-LVQVYYBASA-N 2 1 268.445 2.498 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000420416761 395375575 /nfs/dbraw/zinc/37/55/75/395375575.db2.gz VUZWTXWVZSIRRP-GFCCVEGCSA-N 2 1 299.212 2.472 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C(=O)OC)CC2)C1 ZINC000192440015 395382854 /nfs/dbraw/zinc/38/28/54/395382854.db2.gz OTBJUORHKXWWSP-NFOMZHRRSA-N 2 1 282.428 2.040 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000192645631 395388818 /nfs/dbraw/zinc/38/88/18/395388818.db2.gz VYRLSIZZLREDQY-JYJNAYRXSA-N 2 1 268.445 2.369 20 0 CEADMP Cc1cc(N(C)C[C@@H]2CCC[N@H+]2C)nc(C(C)C)n1 ZINC000420633957 395394118 /nfs/dbraw/zinc/39/41/18/395394118.db2.gz JVMMIWHXFVWOJP-ZDUSSCGKSA-N 2 1 262.401 2.439 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334254 395332573 /nfs/dbraw/zinc/33/25/73/395332573.db2.gz UBHVOYFCBWKCQF-XBFCOCLRSA-N 2 1 290.411 2.330 20 0 CEADMP CC(C)Cc1noc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420337862 395334378 /nfs/dbraw/zinc/33/43/78/395334378.db2.gz KFIVVSCGPFEHKY-KGLIPLIRSA-N 2 1 292.427 2.090 20 0 CEADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420358838 395346563 /nfs/dbraw/zinc/34/65/63/395346563.db2.gz VAAXRAJHZWACQJ-WPRPVWTQSA-N 2 1 277.195 2.306 20 0 CEADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420358838 395346566 /nfs/dbraw/zinc/34/65/66/395346566.db2.gz VAAXRAJHZWACQJ-WPRPVWTQSA-N 2 1 277.195 2.306 20 0 CEADMP CC[C@H](F)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000440707642 395347839 /nfs/dbraw/zinc/34/78/39/395347839.db2.gz VWZLBLUADXOMJG-ZDUSSCGKSA-N 2 1 253.365 2.423 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000529532785 395397378 /nfs/dbraw/zinc/39/73/78/395397378.db2.gz OOTUCROPRGAEAE-LLVKDONJSA-N 2 1 276.371 2.121 20 0 CEADMP COc1cccc(OCC[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000420365392 395352472 /nfs/dbraw/zinc/35/24/72/395352472.db2.gz PYPAOTJZYWJWHI-AWEZNQCLSA-N 2 1 266.385 2.037 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420366203 395353157 /nfs/dbraw/zinc/35/31/57/395353157.db2.gz JJNZLYFLIHWVHK-QGZVFWFLSA-N 2 1 274.408 2.449 20 0 CEADMP Cc1cccc(OCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420366203 395353161 /nfs/dbraw/zinc/35/31/61/395353161.db2.gz JJNZLYFLIHWVHK-QGZVFWFLSA-N 2 1 274.408 2.449 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)ccn1 ZINC000529551979 395403127 /nfs/dbraw/zinc/40/31/27/395403127.db2.gz JZEOFFNULMKESO-UHFFFAOYSA-N 2 1 259.397 2.450 20 0 CEADMP CCN1CC[N@H+](Cc2ccc(C)o2)C[C@H]1c1ncc[nH]1 ZINC000355311031 395406233 /nfs/dbraw/zinc/40/62/33/395406233.db2.gz ILSICXFCAPJJDN-AWEZNQCLSA-N 2 1 274.368 2.190 20 0 CEADMP CCN1CC[N@@H+](Cc2ccc(C)o2)C[C@H]1c1ncc[nH]1 ZINC000355311031 395406234 /nfs/dbraw/zinc/40/62/34/395406234.db2.gz ILSICXFCAPJJDN-AWEZNQCLSA-N 2 1 274.368 2.190 20 0 CEADMP C[C@H]1C[C@H](NCC[NH+]2CCCC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000444014684 395412119 /nfs/dbraw/zinc/41/21/19/395412119.db2.gz YFEIFUVJEAMYQQ-GJZGRUSLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1C[C@H](NCC[NH+]2CCCC(C)(C)C2)C[N@H+]1C1CC1 ZINC000444014684 395412120 /nfs/dbraw/zinc/41/21/20/395412120.db2.gz YFEIFUVJEAMYQQ-GJZGRUSLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1C[C@H](NCC[N@@H+]2CCCC(C)(C)C2)C[NH+]1C1CC1 ZINC000444014684 395412122 /nfs/dbraw/zinc/41/21/22/395412122.db2.gz YFEIFUVJEAMYQQ-GJZGRUSLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1C[C@H](NCC[N@H+]2CCCC(C)(C)C2)C[NH+]1C1CC1 ZINC000444014684 395412126 /nfs/dbraw/zinc/41/21/26/395412126.db2.gz YFEIFUVJEAMYQQ-GJZGRUSLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@]1(CCCO)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444606018 395439731 /nfs/dbraw/zinc/43/97/31/395439731.db2.gz CCRFVPLVTHHKDT-MRXNPFEDSA-N 2 1 268.445 2.489 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000448022133 395507074 /nfs/dbraw/zinc/50/70/74/395507074.db2.gz MRSIDWVPLKXVGS-JYJNAYRXSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+]1CCCC(C)(C)[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000448022133 395507076 /nfs/dbraw/zinc/50/70/76/395507076.db2.gz MRSIDWVPLKXVGS-JYJNAYRXSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+]1CCCC(C)(C)[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000448022133 395507078 /nfs/dbraw/zinc/50/70/78/395507078.db2.gz MRSIDWVPLKXVGS-JYJNAYRXSA-N 2 1 279.472 2.323 20 0 CEADMP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000448022133 395507081 /nfs/dbraw/zinc/50/70/81/395507081.db2.gz MRSIDWVPLKXVGS-JYJNAYRXSA-N 2 1 279.472 2.323 20 0 CEADMP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000448022133 395507083 /nfs/dbraw/zinc/50/70/83/395507083.db2.gz MRSIDWVPLKXVGS-JYJNAYRXSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000448021633 395507109 /nfs/dbraw/zinc/50/71/09/395507109.db2.gz JSJATGCUEBGWLB-ILXRZTDVSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448021633 395507112 /nfs/dbraw/zinc/50/71/12/395507112.db2.gz JSJATGCUEBGWLB-ILXRZTDVSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448021633 395507113 /nfs/dbraw/zinc/50/71/13/395507113.db2.gz JSJATGCUEBGWLB-ILXRZTDVSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000448021633 395507116 /nfs/dbraw/zinc/50/71/16/395507116.db2.gz JSJATGCUEBGWLB-ILXRZTDVSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000448021633 395507119 /nfs/dbraw/zinc/50/71/19/395507119.db2.gz JSJATGCUEBGWLB-ILXRZTDVSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000566418174 395520964 /nfs/dbraw/zinc/52/09/64/395520964.db2.gz CJFDXCFXJSCNNR-XIRDDKMYSA-N 2 1 276.424 2.177 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000566418174 395520966 /nfs/dbraw/zinc/52/09/66/395520966.db2.gz CJFDXCFXJSCNNR-XIRDDKMYSA-N 2 1 276.424 2.177 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000566418174 395520968 /nfs/dbraw/zinc/52/09/68/395520968.db2.gz CJFDXCFXJSCNNR-XIRDDKMYSA-N 2 1 276.424 2.177 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+](C2CC2)C2CCCC2)n1 ZINC000567896988 395540018 /nfs/dbraw/zinc/54/00/18/395540018.db2.gz IBHSYRSZXYHUAG-UHFFFAOYSA-N 2 1 264.373 2.170 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@@H+](C2CC2)C2CCCC2)n1 ZINC000567896988 395540021 /nfs/dbraw/zinc/54/00/21/395540021.db2.gz IBHSYRSZXYHUAG-UHFFFAOYSA-N 2 1 264.373 2.170 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](COC)C2CCCC2)CC1 ZINC000446757559 395498446 /nfs/dbraw/zinc/49/84/46/395498446.db2.gz BSYMTVQQZMTLKK-OAHLLOKOSA-N 2 1 254.418 2.266 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000446838870 395500215 /nfs/dbraw/zinc/50/02/15/395500215.db2.gz MYHOQCWFSFWJGP-CFVMTHIKSA-N 2 1 254.418 2.264 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000446838870 395500217 /nfs/dbraw/zinc/50/02/17/395500217.db2.gz MYHOQCWFSFWJGP-CFVMTHIKSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451418591 395615419 /nfs/dbraw/zinc/61/54/19/395615419.db2.gz JNXMTPBOBRIYBC-FPCVCCKLSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451418591 395615421 /nfs/dbraw/zinc/61/54/21/395615421.db2.gz JNXMTPBOBRIYBC-FPCVCCKLSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451418591 395615424 /nfs/dbraw/zinc/61/54/24/395615424.db2.gz JNXMTPBOBRIYBC-FPCVCCKLSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc2c(c1)OCCO2 ZINC000569560355 395580064 /nfs/dbraw/zinc/58/00/64/395580064.db2.gz IYAFFZNHDNEKSN-AWEZNQCLSA-N 2 1 290.407 2.279 20 0 CEADMP COC[C@]1(C)CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000451184999 395589594 /nfs/dbraw/zinc/58/95/94/395589594.db2.gz BUKAFJDDLKJPJR-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@]1(C)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000451184999 395589596 /nfs/dbraw/zinc/58/95/96/395589596.db2.gz BUKAFJDDLKJPJR-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@]1(C)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000451184999 395589597 /nfs/dbraw/zinc/58/95/97/395589597.db2.gz BUKAFJDDLKJPJR-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP Cc1ccc(CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c(C)n1 ZINC000572853093 395591315 /nfs/dbraw/zinc/59/13/15/395591315.db2.gz XPMRAFCWVXQRCP-JKSUJKDBSA-N 2 1 259.397 2.367 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000574327382 395627948 /nfs/dbraw/zinc/62/79/48/395627948.db2.gz KSPPFFWFCTUONU-CVEARBPZSA-N 2 1 295.471 2.289 20 0 CEADMP CC[C@H]([NH2+]C[C@@](C)(O)C[NH2+]C)c1ccc(Cl)cc1 ZINC000574458465 395630316 /nfs/dbraw/zinc/63/03/16/395630316.db2.gz JZGRQVLRCHZUCF-KBPBESRZSA-N 2 1 270.804 2.351 20 0 CEADMP COC(=O)CC1([NH2+]CC[NH2+]C(C)(C)C)CCCCC1 ZINC000574663225 395634561 /nfs/dbraw/zinc/63/45/61/395634561.db2.gz MSMHLWOPMCBZSI-UHFFFAOYSA-N 2 1 270.417 2.230 20 0 CEADMP CCOC(=O)CC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000574766008 395637027 /nfs/dbraw/zinc/63/70/27/395637027.db2.gz BCIZAGWFEJAUGL-UHFFFAOYSA-N 2 1 293.411 2.018 20 0 CEADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000647336706 395705278 /nfs/dbraw/zinc/70/52/78/395705278.db2.gz FDDHPUPMGBJBQZ-NPJQDHAYSA-N 2 1 268.445 2.246 20 0 CEADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343922 395706978 /nfs/dbraw/zinc/70/69/78/395706978.db2.gz FXCGCNUCTMEIFE-ABFRBSLYSA-N 2 1 276.424 2.345 20 0 CEADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343924 395707038 /nfs/dbraw/zinc/70/70/38/395707038.db2.gz FXCGCNUCTMEIFE-SRABZTEZSA-N 2 1 276.424 2.345 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cn[nH]c1 ZINC000647344496 395707230 /nfs/dbraw/zinc/70/72/30/395707230.db2.gz RTMGCFKRHHBUQZ-XKQJLSEDSA-N 2 1 284.407 2.406 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cn[nH]c1 ZINC000647344496 395707232 /nfs/dbraw/zinc/70/72/32/395707232.db2.gz RTMGCFKRHHBUQZ-XKQJLSEDSA-N 2 1 284.407 2.406 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)CC[C@H]1[NH3+] ZINC000647498803 395722221 /nfs/dbraw/zinc/72/22/21/395722221.db2.gz RDOSHEBKZUSPEN-ZIAGYGMSSA-N 2 1 264.417 2.197 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)CC[C@H]1[NH3+] ZINC000647498803 395722223 /nfs/dbraw/zinc/72/22/23/395722223.db2.gz RDOSHEBKZUSPEN-ZIAGYGMSSA-N 2 1 264.417 2.197 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2c(C)nc3ccccn32)CC[C@H]1[NH3+] ZINC000647498835 395722248 /nfs/dbraw/zinc/72/22/48/395722248.db2.gz RUHSTPQEIJKRGK-ZIAGYGMSSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2c(C)nc3ccccn32)CC[C@H]1[NH3+] ZINC000647498835 395722250 /nfs/dbraw/zinc/72/22/50/395722250.db2.gz RUHSTPQEIJKRGK-ZIAGYGMSSA-N 2 1 272.396 2.202 20 0 CEADMP CCc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)s1 ZINC000647498764 395722385 /nfs/dbraw/zinc/72/23/85/395722385.db2.gz QDIOLKQOANOQEY-CMPLNLGQSA-N 2 1 253.415 2.265 20 0 CEADMP CCc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)s1 ZINC000647498764 395722387 /nfs/dbraw/zinc/72/23/87/395722387.db2.gz QDIOLKQOANOQEY-CMPLNLGQSA-N 2 1 253.415 2.265 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cncn3)c(C)c2)CC[C@H]1[NH3+] ZINC000647498490 395722513 /nfs/dbraw/zinc/72/25/13/395722513.db2.gz IQUNYWBZYKKKRS-HZPDHXFCSA-N 2 1 299.422 2.135 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2sccc2OC)CC[C@@H]1[NH3+] ZINC000647499061 395722706 /nfs/dbraw/zinc/72/27/06/395722706.db2.gz YNHIEKHAUIPARG-MNOVXSKESA-N 2 1 254.399 2.316 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2sccc2OC)CC[C@@H]1[NH3+] ZINC000647499061 395722707 /nfs/dbraw/zinc/72/27/07/395722707.db2.gz YNHIEKHAUIPARG-MNOVXSKESA-N 2 1 254.399 2.316 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000647517342 395725258 /nfs/dbraw/zinc/72/52/58/395725258.db2.gz FOEYJNGOYHURQK-ZWKOTPCHSA-N 2 1 287.451 2.192 20 0 CEADMP CCn1ccnc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543532 395731299 /nfs/dbraw/zinc/73/12/99/395731299.db2.gz OVOGCBBYUVZXLG-LSDHHAIUSA-N 2 1 276.428 2.115 20 0 CEADMP NC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCCCC1 ZINC000647546647 395731993 /nfs/dbraw/zinc/73/19/93/395731993.db2.gz UECNKOMRNWWRBU-QLFBSQMISA-N 2 1 265.445 2.016 20 0 CEADMP Cc1cc(CC[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)cc(C)c1O ZINC000647551399 395733658 /nfs/dbraw/zinc/73/36/58/395733658.db2.gz MISWGMLDVSJJFN-NHYWBVRUSA-N 2 1 262.397 2.139 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1([NH3+])CCCCC1 ZINC000647610547 395737480 /nfs/dbraw/zinc/73/74/80/395737480.db2.gz XXAYFWDCKRXFAB-CYBMUJFWSA-N 2 1 292.427 2.174 20 0 CEADMP CC[C@@H]1CN(c2[nH+]cnc3[nH]c(C)c(C)c32)CC[C@H]1[NH3+] ZINC000647707300 395747066 /nfs/dbraw/zinc/74/70/66/395747066.db2.gz AQMJHAZNYXYDOD-VXGBXAGGSA-N 2 1 273.384 2.138 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@H]3CC[C@H](C[NH3+])C3)c2c1C ZINC000647709865 395747357 /nfs/dbraw/zinc/74/73/57/395747357.db2.gz WJTTXHPQKQVFMQ-QWRGUYRKSA-N 2 1 259.357 2.114 20 0 CEADMP CN(C)CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(C)(C)C ZINC000647786314 395754512 /nfs/dbraw/zinc/75/45/12/395754512.db2.gz MRLXLXUEMHFFOY-FPCVCCKLSA-N 2 1 281.488 2.331 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000647937083 395780527 /nfs/dbraw/zinc/78/05/27/395780527.db2.gz QPUAIGIWOYGGER-WBVHZDCISA-N 2 1 292.423 2.141 20 0 CEADMP Fc1ccc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814631 395759153 /nfs/dbraw/zinc/75/91/53/395759153.db2.gz WZYQTRNCPBQFAF-UHFFFAOYSA-N 2 1 278.371 2.421 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814736 395759447 /nfs/dbraw/zinc/75/94/47/395759447.db2.gz BXEIWUSODMUWRP-UHFFFAOYSA-N 2 1 287.407 2.361 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814736 395759449 /nfs/dbraw/zinc/75/94/49/395759449.db2.gz BXEIWUSODMUWRP-UHFFFAOYSA-N 2 1 287.407 2.361 20 0 CEADMP Cc1nc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)co1 ZINC000647965919 395788861 /nfs/dbraw/zinc/78/88/61/395788861.db2.gz URXSDMMNEIJTCZ-UHFFFAOYSA-N 2 1 293.411 2.060 20 0 CEADMP COc1cccc(C[C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647881151 395768396 /nfs/dbraw/zinc/76/83/96/395768396.db2.gz HZCQOXGIKDUWEP-CVEARBPZSA-N 2 1 274.408 2.312 20 0 CEADMP c1ccc([C@@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)CCS2)cc1 ZINC000647885815 395769362 /nfs/dbraw/zinc/76/93/62/395769362.db2.gz SQEGCQPUDMPHPN-HIFRSBDPSA-N 2 1 262.422 2.386 20 0 CEADMP c1ccc([C@@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)CCS2)cc1 ZINC000647885815 395769364 /nfs/dbraw/zinc/76/93/64/395769364.db2.gz SQEGCQPUDMPHPN-HIFRSBDPSA-N 2 1 262.422 2.386 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000647885688 395769440 /nfs/dbraw/zinc/76/94/40/395769440.db2.gz GJNSMKZWRUFHLB-AWEZNQCLSA-N 2 1 250.411 2.386 20 0 CEADMP C[NH2+]CCC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000647885688 395769441 /nfs/dbraw/zinc/76/94/41/395769441.db2.gz GJNSMKZWRUFHLB-AWEZNQCLSA-N 2 1 250.411 2.386 20 0 CEADMP C[C@H](Cc1ccsc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072361 395825835 /nfs/dbraw/zinc/82/58/35/395825835.db2.gz ZTOOJMJOIJOIBN-CQSZACIVSA-N 2 1 294.464 2.476 20 0 CEADMP CC(C)c1noc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647976965 395793779 /nfs/dbraw/zinc/79/37/79/395793779.db2.gz WJJSELVPAFXHJC-ZIAGYGMSSA-N 2 1 292.427 2.405 20 0 CEADMP c1ccc(N[C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647989136 395796819 /nfs/dbraw/zinc/79/68/19/395796819.db2.gz NIJWILUHXRGTJC-HOCLYGCPSA-N 2 1 259.397 2.172 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](Cc2cncnc2OC)CC1 ZINC000648002062 395800034 /nfs/dbraw/zinc/80/00/34/395800034.db2.gz ZAJXAWGGMJNSBI-UHFFFAOYSA-N 2 1 292.427 2.039 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000648437129 395908535 /nfs/dbraw/zinc/90/85/35/395908535.db2.gz BGFIDPTXEBVPCI-VVLHAWIVSA-N 2 1 298.471 2.423 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)CCO1 ZINC000648468827 395914315 /nfs/dbraw/zinc/91/43/15/395914315.db2.gz ODMSWFZEKYJHDG-IAGOWNOFSA-N 2 1 298.471 2.423 20 0 CEADMP C[C@@H]1[C@H](C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000648731481 395969933 /nfs/dbraw/zinc/96/99/33/395969933.db2.gz YVEIMXBIKRAZMB-IUODEOHRSA-N 2 1 275.396 2.027 20 0 CEADMP C[C@@H]1[C@H](C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC[N@H+]1C ZINC000648766350 395977932 /nfs/dbraw/zinc/97/79/32/395977932.db2.gz QPVDEERBCBJTQI-CZUORRHYSA-N 2 1 289.423 2.069 20 0 CEADMP Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C[NH+](C)C)c1 ZINC000648785156 395983473 /nfs/dbraw/zinc/98/34/73/395983473.db2.gz WGXMEIVHEBHJSO-UKRRQHHQSA-N 2 1 289.423 2.335 20 0 CEADMP CCCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000648994793 396035430 /nfs/dbraw/zinc/03/54/30/396035430.db2.gz DDCSFWVTRMNFMU-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000648999920 396039075 /nfs/dbraw/zinc/03/90/75/396039075.db2.gz KHSWDNRCALFVDY-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000649310556 396118298 /nfs/dbraw/zinc/11/82/98/396118298.db2.gz SKQNATDNPWPVEA-AWEZNQCLSA-N 2 1 283.460 2.275 20 0 CEADMP C[C@@H]([NH3+])CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000649378573 396134436 /nfs/dbraw/zinc/13/44/36/396134436.db2.gz KBUOCBFCIKBGPK-HUUCEWRRSA-N 2 1 295.471 2.227 20 0 CEADMP Cc1csc(C2([NH2+]C[C@@H]3CC[NH2+]C3)CCCC2)n1 ZINC000649414698 396148301 /nfs/dbraw/zinc/14/83/01/396148301.db2.gz RDIYVDNQADBARJ-GFCCVEGCSA-N 2 1 265.426 2.420 20 0 CEADMP Cc1cncc(CC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)n1 ZINC000649541704 396183507 /nfs/dbraw/zinc/18/35/07/396183507.db2.gz GFTWNMDOJHLVCA-INIZCTEOSA-N 2 1 276.428 2.134 20 0 CEADMP Cc1cncc(CC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)n1 ZINC000649541704 396183511 /nfs/dbraw/zinc/18/35/11/396183511.db2.gz GFTWNMDOJHLVCA-INIZCTEOSA-N 2 1 276.428 2.134 20 0 CEADMP Cc1cncc(CC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000649541704 396183515 /nfs/dbraw/zinc/18/35/15/396183515.db2.gz GFTWNMDOJHLVCA-INIZCTEOSA-N 2 1 276.428 2.134 20 0 CEADMP Cc1cncc(CC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000649541704 396183518 /nfs/dbraw/zinc/18/35/18/396183518.db2.gz GFTWNMDOJHLVCA-INIZCTEOSA-N 2 1 276.428 2.134 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2cncc(C)n2)C[C@@H]1C ZINC000649546821 396184816 /nfs/dbraw/zinc/18/48/16/396184816.db2.gz BCOOULAQWYPSLY-GOEBONIOSA-N 2 1 276.428 2.132 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cncc(C)n2)C[C@@H]1C ZINC000649546821 396184819 /nfs/dbraw/zinc/18/48/19/396184819.db2.gz BCOOULAQWYPSLY-GOEBONIOSA-N 2 1 276.428 2.132 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cncc(C)n2)C[C@@H]1C ZINC000649546821 396184822 /nfs/dbraw/zinc/18/48/22/396184822.db2.gz BCOOULAQWYPSLY-GOEBONIOSA-N 2 1 276.428 2.132 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cncc(C)n2)C[C@@H]1C ZINC000649546821 396184824 /nfs/dbraw/zinc/18/48/24/396184824.db2.gz BCOOULAQWYPSLY-GOEBONIOSA-N 2 1 276.428 2.132 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1c[nH+]c2c1CCCC2 ZINC000649749828 396249290 /nfs/dbraw/zinc/24/92/90/396249290.db2.gz VOCPVRFUKFRWMX-INIZCTEOSA-N 2 1 299.418 2.255 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1c[nH+]c2c1CCCC2 ZINC000649749828 396249293 /nfs/dbraw/zinc/24/92/93/396249293.db2.gz VOCPVRFUKFRWMX-INIZCTEOSA-N 2 1 299.418 2.255 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CO1 ZINC000647171536 396428243 /nfs/dbraw/zinc/42/82/43/396428243.db2.gz MZJFJZZWHLUAMN-LJISPDSOSA-N 2 1 254.418 2.121 20 0 CEADMP OC1CC[NH+](CCC[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647174805 396429758 /nfs/dbraw/zinc/42/97/58/396429758.db2.gz MWLLRJYSOWHIFN-UHFFFAOYSA-N 2 1 276.371 2.001 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2CC(C)C)C1 ZINC000647177128 396430238 /nfs/dbraw/zinc/43/02/38/396430238.db2.gz MJKQBQUOZMZMDW-HNNXBMFYSA-N 2 1 278.444 2.361 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2CC(C)C)C1 ZINC000647177128 396430240 /nfs/dbraw/zinc/43/02/40/396430240.db2.gz MJKQBQUOZMZMDW-HNNXBMFYSA-N 2 1 278.444 2.361 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000050285419 400237746 /nfs/dbraw/zinc/23/77/46/400237746.db2.gz NNRAFYUMIDBTIR-KBPBESRZSA-N 2 1 279.453 2.458 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)CCO1 ZINC000386239791 400525066 /nfs/dbraw/zinc/52/50/66/400525066.db2.gz QYMPITSNMKFRGW-OCCSQVGLSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)CCO1 ZINC000386239791 400525070 /nfs/dbraw/zinc/52/50/70/400525070.db2.gz QYMPITSNMKFRGW-OCCSQVGLSA-N 2 1 254.418 2.251 20 0 CEADMP CCC[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)OC ZINC000386423883 400526664 /nfs/dbraw/zinc/52/66/64/400526664.db2.gz KPDIWZCRVDPZKM-JALIKCBVSA-N 2 1 254.418 2.406 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccccc1 ZINC000389137381 400536978 /nfs/dbraw/zinc/53/69/78/400536978.db2.gz UQOUSEWNWQLXPZ-GOEBONIOSA-N 2 1 264.413 2.381 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccccc1 ZINC000389137381 400536982 /nfs/dbraw/zinc/53/69/82/400536982.db2.gz UQOUSEWNWQLXPZ-GOEBONIOSA-N 2 1 264.413 2.381 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000389137381 400536987 /nfs/dbraw/zinc/53/69/87/400536987.db2.gz UQOUSEWNWQLXPZ-GOEBONIOSA-N 2 1 264.413 2.381 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000389137381 400536991 /nfs/dbraw/zinc/53/69/91/400536991.db2.gz UQOUSEWNWQLXPZ-GOEBONIOSA-N 2 1 264.413 2.381 20 0 CEADMP CC(C)C1(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000638137135 400690891 /nfs/dbraw/zinc/69/08/91/400690891.db2.gz GFNVKICQZDXEOU-SJORKVTESA-N 2 1 293.499 2.380 20 0 CEADMP COc1ccccc1C1([NH2+]CCc2c[nH+]cn2C)CC1 ZINC000646001450 400709424 /nfs/dbraw/zinc/70/94/24/400709424.db2.gz JEPFKBAWVXZOHF-UHFFFAOYSA-N 2 1 271.364 2.250 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000650706890 400997678 /nfs/dbraw/zinc/99/76/78/400997678.db2.gz VBHPSQPGVROTIY-GZBFAFLISA-N 2 1 280.437 2.466 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cnc3ccccn23)[C@@H]1CC[NH3+] ZINC000650711354 401001967 /nfs/dbraw/zinc/00/19/67/401001967.db2.gz QQURSVCGYOYXNV-UKRRQHHQSA-N 2 1 272.396 2.284 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CNc3ccccc3C2)[C@H](C)C1 ZINC000650715809 401005701 /nfs/dbraw/zinc/00/57/01/401005701.db2.gz KQKHXLYTSHNRTR-KBMXLJTQSA-N 2 1 273.424 2.343 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]C(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC000650720021 401009587 /nfs/dbraw/zinc/00/95/87/401009587.db2.gz CEJXMXTZGOABFQ-KRWDZBQOSA-N 2 1 289.467 2.233 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(O)c2)C1 ZINC000650721902 401011930 /nfs/dbraw/zinc/01/19/30/401011930.db2.gz FOTUTEUQWWZRQF-DJIMGWMZSA-N 2 1 290.407 2.253 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCc2c1cccc2OC ZINC000360035932 155199733 /nfs/dbraw/zinc/19/97/33/155199733.db2.gz CSCCDWQCHAJRET-INIZCTEOSA-N 2 1 292.423 2.240 20 0 CEADMP C[C@@H](C1CC[NH+](C)CC1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000651466798 401344962 /nfs/dbraw/zinc/34/49/62/401344962.db2.gz RZZAWLSCTUTRMT-HOCLYGCPSA-N 2 1 266.429 2.219 20 0 CEADMP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246569434 286050347 /nfs/dbraw/zinc/05/03/47/286050347.db2.gz XTEBYWGLJLKSPE-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H](C[NH2+][C@@H](CC)[C@H]1CCOC1)[NH+]1CCCC1 ZINC000360061336 155205729 /nfs/dbraw/zinc/20/57/29/155205729.db2.gz ACKVNIMGRYUVFA-KKUMJFAQSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)CCn1cccn1 ZINC000651865714 401406047 /nfs/dbraw/zinc/40/60/47/401406047.db2.gz FONQQVXCMOXSIO-HNNXBMFYSA-N 2 1 266.433 2.229 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc2ccccn12 ZINC000651866598 401406844 /nfs/dbraw/zinc/40/68/44/401406844.db2.gz KFVWGIIVBVNWAY-UHFFFAOYSA-N 2 1 274.412 2.402 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc2ccccn12 ZINC000651866598 401406847 /nfs/dbraw/zinc/40/68/47/401406847.db2.gz KFVWGIIVBVNWAY-UHFFFAOYSA-N 2 1 274.412 2.402 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000158241574 289230502 /nfs/dbraw/zinc/23/05/02/289230502.db2.gz KTENCPRTBNMCMY-KGLIPLIRSA-N 2 1 264.417 2.456 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000158241574 289230503 /nfs/dbraw/zinc/23/05/03/289230503.db2.gz KTENCPRTBNMCMY-KGLIPLIRSA-N 2 1 264.417 2.456 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1 ZINC000651938932 401419268 /nfs/dbraw/zinc/41/92/68/401419268.db2.gz NUHXFHYEWAQELW-TUKIKUTGSA-N 2 1 298.390 2.095 20 0 CEADMP CC[N@@H+](CCCNC(=O)N(C)[C@H](C)C[NH3+])C1CCCCC1 ZINC000652227475 401468088 /nfs/dbraw/zinc/46/80/88/401468088.db2.gz HXOIFDCDWVWLHC-CQSZACIVSA-N 2 1 298.475 2.020 20 0 CEADMP CC[N@@H+](CCCNC(=O)N(C)[C@@H](C)C[NH3+])C1CCCCC1 ZINC000652227474 401468111 /nfs/dbraw/zinc/46/81/11/401468111.db2.gz HXOIFDCDWVWLHC-AWEZNQCLSA-N 2 1 298.475 2.020 20 0 CEADMP c1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nn2c1CCC2 ZINC000652341042 401490686 /nfs/dbraw/zinc/49/06/86/401490686.db2.gz YEEGNFWKMIZEIJ-LSDHHAIUSA-N 2 1 288.439 2.041 20 0 CEADMP C[C@H](c1cccnc1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349041 401491575 /nfs/dbraw/zinc/49/15/75/401491575.db2.gz ZWUZEWFLCDDFIV-XLNGHYISSA-N 2 1 289.423 2.361 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)O1 ZINC000188556660 153057206 /nfs/dbraw/zinc/05/72/06/153057206.db2.gz GDAXCKWNLQNIAS-BZUAXINKSA-N 2 1 266.429 2.362 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC2CCCC2)C1 ZINC000190639325 153138967 /nfs/dbraw/zinc/13/89/67/153138967.db2.gz JXXCJFQHXULHSS-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000190639325 153138971 /nfs/dbraw/zinc/13/89/71/153138971.db2.gz JXXCJFQHXULHSS-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000190639325 153138976 /nfs/dbraw/zinc/13/89/76/153138976.db2.gz JXXCJFQHXULHSS-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000191406809 153171865 /nfs/dbraw/zinc/17/18/65/153171865.db2.gz ORBYCVHTRPRQTB-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP CCC(CC)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)OC ZINC000193286729 153232968 /nfs/dbraw/zinc/23/29/68/153232968.db2.gz MCGGJLUKMBPENN-AGUYFDCRSA-N 2 1 282.428 2.181 20 0 CEADMP C([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000193969192 153246121 /nfs/dbraw/zinc/24/61/21/153246121.db2.gz AMSVFGBAOIZXAD-PQEBFOHHSA-N 2 1 290.451 2.408 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNCc1c(C)nc2ccccn21 ZINC000228031917 153356295 /nfs/dbraw/zinc/35/62/95/153356295.db2.gz DEONUSLIZKVBAE-CYBMUJFWSA-N 2 1 274.412 2.463 20 0 CEADMP c1nn(-c2ccccc2)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000228409398 153363679 /nfs/dbraw/zinc/36/36/79/153363679.db2.gz KEVAWSZHKPTFKI-UHFFFAOYSA-N 2 1 270.380 2.104 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCOCCc3ccccc3)C[C@@H]12 ZINC000351502019 154316834 /nfs/dbraw/zinc/31/68/34/154316834.db2.gz YSSZPFOEFKRTPO-RCCFBDPRSA-N 2 1 288.435 2.305 20 0 CEADMP Cc1cnn(C)c1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000352771188 154329629 /nfs/dbraw/zinc/32/96/29/154329629.db2.gz NEHBBMRHDQZCNC-KBPBESRZSA-N 2 1 278.444 2.186 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357071035 154374304 /nfs/dbraw/zinc/37/43/04/154374304.db2.gz GGMUUUWXBJGUMQ-RISCZKNCSA-N 2 1 290.411 2.330 20 0 CEADMP c1ccc(CCOCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357083893 154379480 /nfs/dbraw/zinc/37/94/80/154379480.db2.gz IWDJBAFUXLTEPJ-MSOLQXFVSA-N 2 1 288.435 2.177 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000359777219 155127813 /nfs/dbraw/zinc/12/78/13/155127813.db2.gz GCWHQXZEFFKXOE-CAOSSQGBSA-N 2 1 297.487 2.484 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000359777219 155127815 /nfs/dbraw/zinc/12/78/15/155127815.db2.gz GCWHQXZEFFKXOE-CAOSSQGBSA-N 2 1 297.487 2.484 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000359777219 155127817 /nfs/dbraw/zinc/12/78/17/155127817.db2.gz GCWHQXZEFFKXOE-CAOSSQGBSA-N 2 1 297.487 2.484 20 0 CEADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC000364893021 156068975 /nfs/dbraw/zinc/06/89/75/156068975.db2.gz HDJUYFJTHGYNIO-ZDUSSCGKSA-N 2 1 288.370 2.409 20 0 CEADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000364893021 156068977 /nfs/dbraw/zinc/06/89/77/156068977.db2.gz HDJUYFJTHGYNIO-ZDUSSCGKSA-N 2 1 288.370 2.409 20 0 CEADMP Cc1nccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000366865596 156091023 /nfs/dbraw/zinc/09/10/23/156091023.db2.gz PFVXVNRQYLVGGR-UHFFFAOYSA-N 2 1 274.412 2.093 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367063781 156126108 /nfs/dbraw/zinc/12/61/08/156126108.db2.gz ZLLRWVTWGJCUNT-OAHLLOKOSA-N 2 1 263.385 2.084 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367063781 156126111 /nfs/dbraw/zinc/12/61/11/156126111.db2.gz ZLLRWVTWGJCUNT-OAHLLOKOSA-N 2 1 263.385 2.084 20 0 CEADMP Cc1nc(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cs1 ZINC000367303855 156161838 /nfs/dbraw/zinc/16/18/38/156161838.db2.gz YVDKXWROKPVEAU-BMFZPTHFSA-N 2 1 291.464 2.410 20 0 CEADMP Cc1nc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cs1 ZINC000367303855 156161840 /nfs/dbraw/zinc/16/18/40/156161840.db2.gz YVDKXWROKPVEAU-BMFZPTHFSA-N 2 1 291.464 2.410 20 0 CEADMP Cc1nc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cs1 ZINC000367303855 156161842 /nfs/dbraw/zinc/16/18/42/156161842.db2.gz YVDKXWROKPVEAU-BMFZPTHFSA-N 2 1 291.464 2.410 20 0 CEADMP Cc1nc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cs1 ZINC000367303855 156161845 /nfs/dbraw/zinc/16/18/45/156161845.db2.gz YVDKXWROKPVEAU-BMFZPTHFSA-N 2 1 291.464 2.410 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccn3)C2)CC[N@@H+]1C ZINC000367396252 156178372 /nfs/dbraw/zinc/17/83/72/156178372.db2.gz HZICPPVSAFPXSG-OWCLPIDISA-N 2 1 288.439 2.123 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccn3)C2)CC[N@H+]1C ZINC000367396252 156178373 /nfs/dbraw/zinc/17/83/73/156178373.db2.gz HZICPPVSAFPXSG-OWCLPIDISA-N 2 1 288.439 2.123 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]CCCCO)[C@H]1c1ccccc1 ZINC000367485083 156191473 /nfs/dbraw/zinc/19/14/73/156191473.db2.gz WMRWHDBFZKZPEU-IAGOWNOFSA-N 2 1 276.424 2.432 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)[C@@H]2CCC[C@H]21 ZINC000367579579 156208271 /nfs/dbraw/zinc/20/82/71/156208271.db2.gz HDTZVIUACFWVTO-BQJWPVKWSA-N 2 1 280.456 2.248 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000368075044 156279229 /nfs/dbraw/zinc/27/92/29/156279229.db2.gz PQFYBSKXMZIZIL-CABCVRRESA-N 2 1 277.412 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000368075044 156279232 /nfs/dbraw/zinc/27/92/32/156279232.db2.gz PQFYBSKXMZIZIL-CABCVRRESA-N 2 1 277.412 2.471 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Cc2ccncc2)C1 ZINC000368487578 156354421 /nfs/dbraw/zinc/35/44/21/156354421.db2.gz USZDGRQMTVAOTC-IAGOWNOFSA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368487578 156354424 /nfs/dbraw/zinc/35/44/24/156354424.db2.gz USZDGRQMTVAOTC-IAGOWNOFSA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368487578 156354428 /nfs/dbraw/zinc/35/44/28/156354428.db2.gz USZDGRQMTVAOTC-IAGOWNOFSA-N 2 1 273.424 2.430 20 0 CEADMP CC(C)COCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000369524032 156481294 /nfs/dbraw/zinc/48/12/94/156481294.db2.gz YOJZLCKNTCKUTI-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CC(C)COCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000369524032 156481298 /nfs/dbraw/zinc/48/12/98/156481298.db2.gz YOJZLCKNTCKUTI-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP C(C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000375313211 157076079 /nfs/dbraw/zinc/07/60/79/157076079.db2.gz CHDWSGJAPUKNJB-INIZCTEOSA-N 2 1 266.429 2.363 20 0 CEADMP C(C[NH+]1CCCC1)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000375313211 157076083 /nfs/dbraw/zinc/07/60/83/157076083.db2.gz CHDWSGJAPUKNJB-INIZCTEOSA-N 2 1 266.429 2.363 20 0 CEADMP CN(CC[NH+]1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375760649 157140995 /nfs/dbraw/zinc/14/09/95/157140995.db2.gz GHEHKIZOMQYZOW-XYPWUTKMSA-N 2 1 265.445 2.029 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCCCCO)[C@H]2CCC[C@H]21 ZINC000375852374 157151894 /nfs/dbraw/zinc/15/18/94/157151894.db2.gz NUMGJRFOQHGIMQ-QLFBSQMISA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC(F)(F)F)C2)CC1 ZINC000375905226 157160117 /nfs/dbraw/zinc/16/01/17/157160117.db2.gz LTOJNCOINPLFGQ-CYBMUJFWSA-N 2 1 293.377 2.039 20 0 CEADMP CC(C)OCCC[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000375928987 157162457 /nfs/dbraw/zinc/16/24/57/157162457.db2.gz BKXSVBZWWBLPJS-CQSZACIVSA-N 2 1 265.401 2.415 20 0 CEADMP CO[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)CC1 ZINC000376283296 157206912 /nfs/dbraw/zinc/20/69/12/157206912.db2.gz DFSACRRDSUXJBA-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP CO[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)CC1 ZINC000376283296 157206915 /nfs/dbraw/zinc/20/69/15/157206915.db2.gz DFSACRRDSUXJBA-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP Cn1cccc1C(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000376384141 157215853 /nfs/dbraw/zinc/21/58/53/157215853.db2.gz JBURNEUITRDAOS-UHFFFAOYSA-N 2 1 289.423 2.016 20 0 CEADMP Cn1cccc1C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000376384141 157215857 /nfs/dbraw/zinc/21/58/57/157215857.db2.gz JBURNEUITRDAOS-UHFFFAOYSA-N 2 1 289.423 2.016 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2(CCO)CCCCC2)CC[N@H+]1C ZINC000165604341 162344753 /nfs/dbraw/zinc/34/47/53/162344753.db2.gz MJYXUMWSBAFDRA-GJZGRUSLSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@@H](O)CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000336793027 287077633 /nfs/dbraw/zinc/07/76/33/287077633.db2.gz VDRNQMBKUYDJLW-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000177060295 165183547 /nfs/dbraw/zinc/18/35/47/165183547.db2.gz UYFLBFKGNGICGX-CHWSQXEVSA-N 2 1 270.417 2.133 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000177060295 165183551 /nfs/dbraw/zinc/18/35/51/165183551.db2.gz UYFLBFKGNGICGX-CHWSQXEVSA-N 2 1 270.417 2.133 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)OC(C)(C)C)CC[NH+]1C ZINC000177060295 165183554 /nfs/dbraw/zinc/18/35/54/165183554.db2.gz UYFLBFKGNGICGX-CHWSQXEVSA-N 2 1 270.417 2.133 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)OC(C)(C)C)CC[NH+]1C ZINC000177060295 165183557 /nfs/dbraw/zinc/18/35/57/165183557.db2.gz UYFLBFKGNGICGX-CHWSQXEVSA-N 2 1 270.417 2.133 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177258724 165193558 /nfs/dbraw/zinc/19/35/58/165193558.db2.gz WFCIZLBCALENTC-UHFFFAOYSA-N 2 1 295.471 2.240 20 0 CEADMP COCCC[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178704827 165257872 /nfs/dbraw/zinc/25/78/72/165257872.db2.gz IJEDNEHZDFHGQD-OLZOCXBDSA-N 2 1 253.390 2.232 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000181519078 165348307 /nfs/dbraw/zinc/34/83/07/165348307.db2.gz XCMBUKFRHRBZDL-HRCADAONSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](O)Cc1ccccc1 ZINC000181551465 165350267 /nfs/dbraw/zinc/35/02/67/165350267.db2.gz BMSBAXUWGUOEEY-NXNVCVFFSA-N 2 1 276.424 2.051 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](O)Cc1ccccc1 ZINC000181551465 165350270 /nfs/dbraw/zinc/35/02/70/165350270.db2.gz BMSBAXUWGUOEEY-NXNVCVFFSA-N 2 1 276.424 2.051 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000181748849 165357700 /nfs/dbraw/zinc/35/77/00/165357700.db2.gz BYTFRWCIJDWWSX-YCPHGPKFSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000181748849 165357704 /nfs/dbraw/zinc/35/77/04/165357704.db2.gz BYTFRWCIJDWWSX-YCPHGPKFSA-N 2 1 299.422 2.401 20 0 CEADMP Cc1[nH+]c2ccccc2c(N2CCC[N@@H+](CCO)CC2)c1C ZINC000181884416 165361066 /nfs/dbraw/zinc/36/10/66/165361066.db2.gz UMXOCYQSDTWOGR-UHFFFAOYSA-N 2 1 299.418 2.356 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCN1CC(F)F ZINC000414705144 287198236 /nfs/dbraw/zinc/19/82/36/287198236.db2.gz LDEWLXBPPCTXJD-MGPQQGTHSA-N 2 1 289.414 2.036 20 0 CEADMP C[N@H+](C[C@@H](O)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285379768 196265769 /nfs/dbraw/zinc/26/57/69/196265769.db2.gz CTILGAULORSALN-FCLJQHQZSA-N 2 1 292.398 2.416 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285379768 196265770 /nfs/dbraw/zinc/26/57/70/196265770.db2.gz CTILGAULORSALN-FCLJQHQZSA-N 2 1 292.398 2.416 20 0 CEADMP C[NH+](C[C@@H](O)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285379768 196265772 /nfs/dbraw/zinc/26/57/72/196265772.db2.gz CTILGAULORSALN-FCLJQHQZSA-N 2 1 292.398 2.416 20 0 CEADMP C[NH+](C[C@@H](O)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285379768 196265774 /nfs/dbraw/zinc/26/57/74/196265774.db2.gz CTILGAULORSALN-FCLJQHQZSA-N 2 1 292.398 2.416 20 0 CEADMP Cc1cncc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000285589829 196335245 /nfs/dbraw/zinc/33/52/45/196335245.db2.gz ULTILZWJSPXTSO-XYPWUTKMSA-N 2 1 259.397 2.447 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000037211010 173032771 /nfs/dbraw/zinc/03/27/71/173032771.db2.gz NTIOKAVUYXNFDD-UHFFFAOYSA-N 2 1 287.411 2.293 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H]2CC[NH3+])CCO1 ZINC000352533844 287282150 /nfs/dbraw/zinc/28/21/50/287282150.db2.gz ADETYUVDIHRALH-SOUVJXGZSA-N 2 1 254.418 2.395 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000401693626 414753922 /nfs/dbraw/zinc/75/39/22/414753922.db2.gz IPCDOMFHMCNRKT-ABAIWWIYSA-N 2 1 250.361 2.264 20 0 CEADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)[C@@H]1CC[NH3+] ZINC000404401986 414784488 /nfs/dbraw/zinc/78/44/88/414784488.db2.gz RUQQZARUBJCRNU-GOEBONIOSA-N 2 1 289.423 2.465 20 0 CEADMP C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccccc2)[C@H]1CC[NH3+] ZINC000404398753 414784516 /nfs/dbraw/zinc/78/45/16/414784516.db2.gz QAIPEWWKZIYZHA-ZBFHGGJFSA-N 2 1 289.423 2.099 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccccc2)[C@H]1CC[NH3+] ZINC000404398753 414784522 /nfs/dbraw/zinc/78/45/22/414784522.db2.gz QAIPEWWKZIYZHA-ZBFHGGJFSA-N 2 1 289.423 2.099 20 0 CEADMP CC[C@]1(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCC[NH2+]1 ZINC000662878116 414784537 /nfs/dbraw/zinc/78/45/37/414784537.db2.gz NUQYTSXSEMTTCR-WMLDXEAASA-N 2 1 293.455 2.042 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])n1 ZINC000404525111 414785672 /nfs/dbraw/zinc/78/56/72/414785672.db2.gz ZEMRXOCWIZNGKZ-SMDDNHRTSA-N 2 1 263.385 2.045 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCCC1 ZINC000401012103 414748473 /nfs/dbraw/zinc/74/84/73/414748473.db2.gz HHTZGJGEEFGUGL-HZMVEIRTSA-N 3 1 279.472 2.085 20 0 CEADMP CC[C@H]1C[N@H+](CCOc2ccccc2C(C)=O)CC[C@@H]1[NH3+] ZINC000122740902 414791927 /nfs/dbraw/zinc/79/19/27/414791927.db2.gz IHHUWDKIMAHVQO-HOCLYGCPSA-N 2 1 290.407 2.327 20 0 CEADMP CC[C@H]1C[N@@H+](CCOc2ccccc2C(C)=O)CC[C@@H]1[NH3+] ZINC000122740902 414791935 /nfs/dbraw/zinc/79/19/35/414791935.db2.gz IHHUWDKIMAHVQO-HOCLYGCPSA-N 2 1 290.407 2.327 20 0 CEADMP CCO[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)C[C@H]1C[NH3+] ZINC000405304942 414792492 /nfs/dbraw/zinc/79/24/92/414792492.db2.gz PTINCTYMLADSAS-HYVNUMGLSA-N 2 1 274.408 2.360 20 0 CEADMP CCO[C@@H]1C[N@@H+](C[C@H]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000405297197 414794039 /nfs/dbraw/zinc/79/40/39/414794039.db2.gz LLLXBZFLDPPTAH-KBUPBQIOSA-N 2 1 254.418 2.108 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000657182835 414798645 /nfs/dbraw/zinc/79/86/45/414798645.db2.gz KBPMTIZRHFWTSF-ZDUSSCGKSA-N 2 1 272.396 2.384 20 0 CEADMP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000657182835 414798650 /nfs/dbraw/zinc/79/86/50/414798650.db2.gz KBPMTIZRHFWTSF-ZDUSSCGKSA-N 2 1 272.396 2.384 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000657182835 414798653 /nfs/dbraw/zinc/79/86/53/414798653.db2.gz KBPMTIZRHFWTSF-ZDUSSCGKSA-N 2 1 272.396 2.384 20 0 CEADMP Cc1c[nH]c(CNCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000657293686 414837543 /nfs/dbraw/zinc/83/75/43/414837543.db2.gz SONSKDGGNOXYKY-CYBMUJFWSA-N 2 1 250.390 2.072 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C3CCC3)cnn2C)C1 ZINC000657316144 414854605 /nfs/dbraw/zinc/85/46/05/414854605.db2.gz ZGJMLPSTLCUVMP-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C3CCC3)cnn2C)C1 ZINC000657316144 414854610 /nfs/dbraw/zinc/85/46/10/414854610.db2.gz ZGJMLPSTLCUVMP-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP CCCn1nccc1C[NH2+]C[C@@H]1CC[N@H+](CCC)C1 ZINC000657324528 414860607 /nfs/dbraw/zinc/86/06/07/414860607.db2.gz CRBGGJYCIMVXEH-AWEZNQCLSA-N 2 1 264.417 2.115 20 0 CEADMP CCCn1nccc1C[NH2+]C[C@@H]1CC[N@@H+](CCC)C1 ZINC000657324528 414860612 /nfs/dbraw/zinc/86/06/12/414860612.db2.gz CRBGGJYCIMVXEH-AWEZNQCLSA-N 2 1 264.417 2.115 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCCN(CC[C@H]1CCCC[NH+]1C)C2 ZINC000660654111 414917935 /nfs/dbraw/zinc/91/79/35/414917935.db2.gz CVXFMGMKZWJQPB-IAGOWNOFSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCCN(CC[C@H]1CCCC[N@@H+]1C)C2 ZINC000660654111 414917939 /nfs/dbraw/zinc/91/79/39/414917939.db2.gz CVXFMGMKZWJQPB-IAGOWNOFSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCCN(CC[C@H]1CCCC[N@H+]1C)C2 ZINC000660654111 414917942 /nfs/dbraw/zinc/91/79/42/414917942.db2.gz CVXFMGMKZWJQPB-IAGOWNOFSA-N 2 1 279.472 2.279 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CO1 ZINC000663343965 414922167 /nfs/dbraw/zinc/92/21/67/414922167.db2.gz LBXSPHYPSJKCGY-ARFHVFGLSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CCC(C)(C)O1)C2 ZINC000660660734 414924339 /nfs/dbraw/zinc/92/43/39/414924339.db2.gz AMWCQQHGNODFNP-HOCLYGCPSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H]1CCC(C)(C)O1)C2 ZINC000660660734 414924344 /nfs/dbraw/zinc/92/43/44/414924344.db2.gz AMWCQQHGNODFNP-HOCLYGCPSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1CCC(C)(C)O1)C2 ZINC000660660734 414924348 /nfs/dbraw/zinc/92/43/48/414924348.db2.gz AMWCQQHGNODFNP-HOCLYGCPSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657436289 414936019 /nfs/dbraw/zinc/93/60/19/414936019.db2.gz ROBSLQTZKCRAGU-UYSNPLJNSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657436289 414936022 /nfs/dbraw/zinc/93/60/22/414936022.db2.gz ROBSLQTZKCRAGU-UYSNPLJNSA-N 2 1 266.429 2.002 20 0 CEADMP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000660695554 414936420 /nfs/dbraw/zinc/93/64/20/414936420.db2.gz RLEXGQVKTASEGT-OAHLLOKOSA-N 2 1 266.429 2.168 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C)CCN1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660630218 414904482 /nfs/dbraw/zinc/90/44/82/414904482.db2.gz OHHYPXDCTGPKTE-BRWVUGGUSA-N 2 1 281.488 2.236 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000660776152 414970235 /nfs/dbraw/zinc/97/02/35/414970235.db2.gz HDEKBUNHWPWHPI-WBVHZDCISA-N 2 1 293.455 2.084 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657491387 414972083 /nfs/dbraw/zinc/97/20/83/414972083.db2.gz DVHPPNVZYHHKPD-HNNXBMFYSA-N 3 1 299.422 2.089 20 0 CEADMP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccnn2-c2ccncc2)C1 ZINC000657491387 414972089 /nfs/dbraw/zinc/97/20/89/414972089.db2.gz DVHPPNVZYHHKPD-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccnn2-c2ccncc2)C1 ZINC000657491387 414972095 /nfs/dbraw/zinc/97/20/95/414972095.db2.gz DVHPPNVZYHHKPD-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1nc2ccccc2n1C ZINC000663498975 414972476 /nfs/dbraw/zinc/97/24/76/414972476.db2.gz WXNDKMVDUYFDHX-GFCCVEGCSA-N 2 1 260.385 2.036 20 0 CEADMP C[NH2+]C[C@H](C)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000663509321 414977860 /nfs/dbraw/zinc/97/78/60/414977860.db2.gz IZBJFIZYNSHISF-OFQRWUPVSA-N 2 1 261.413 2.019 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CO1 ZINC000657500831 414978415 /nfs/dbraw/zinc/97/84/15/414978415.db2.gz SUFXIFXXJVQFCF-OWSLCNJRSA-N 2 1 288.435 2.489 20 0 CEADMP C[C@@H](Nc1[nH+]ccc2[nH]ccc21)[C@H](C)[NH+]1CCOCC1 ZINC000663547314 414985740 /nfs/dbraw/zinc/98/57/40/414985740.db2.gz RPVMESXFZORMDA-NEPJUHHUSA-N 2 1 274.368 2.084 20 0 CEADMP COC1CC(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000657529751 414989781 /nfs/dbraw/zinc/98/97/81/414989781.db2.gz ZHHBKMVJYLNONH-GQKFXUNGSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(C)c1[nH+]ccc2[nH]ccc21 ZINC000663682305 415014523 /nfs/dbraw/zinc/01/45/23/415014523.db2.gz UVGNGWUUUFDYMB-GFCCVEGCSA-N 2 1 258.369 2.483 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C1CC1)C1CCCCC1 ZINC000653496353 415014624 /nfs/dbraw/zinc/01/46/24/415014624.db2.gz OIXXVSBDXRFMPR-HNNXBMFYSA-N 2 1 254.418 2.096 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C1CC1)C1CCCCC1 ZINC000653496353 415014628 /nfs/dbraw/zinc/01/46/28/415014628.db2.gz OIXXVSBDXRFMPR-HNNXBMFYSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C1CC1)C1CCCCC1 ZINC000653496353 415014629 /nfs/dbraw/zinc/01/46/29/415014629.db2.gz OIXXVSBDXRFMPR-HNNXBMFYSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C1CC1)C1CCCCC1 ZINC000653496353 415014634 /nfs/dbraw/zinc/01/46/34/415014634.db2.gz OIXXVSBDXRFMPR-HNNXBMFYSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnn(C)c1 ZINC000663467526 414962163 /nfs/dbraw/zinc/96/21/63/414962163.db2.gz GMKWAKVNEJSYTN-ZFWWWQNUSA-N 2 1 276.428 2.193 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(C)c1 ZINC000663467526 414962169 /nfs/dbraw/zinc/96/21/69/414962169.db2.gz GMKWAKVNEJSYTN-ZFWWWQNUSA-N 2 1 276.428 2.193 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467495 414962530 /nfs/dbraw/zinc/96/25/30/414962530.db2.gz GDTQYJLSEWGXLR-SWLSCSKDSA-N 2 1 276.428 2.491 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467495 414962535 /nfs/dbraw/zinc/96/25/35/414962535.db2.gz GDTQYJLSEWGXLR-SWLSCSKDSA-N 2 1 276.428 2.491 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccnn1C ZINC000663466094 414962759 /nfs/dbraw/zinc/96/27/59/414962759.db2.gz NZUCDEKZQMZPNE-UKRRQHHQSA-N 2 1 276.428 2.193 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccnn1C ZINC000663466094 414962763 /nfs/dbraw/zinc/96/27/63/414962763.db2.gz NZUCDEKZQMZPNE-UKRRQHHQSA-N 2 1 276.428 2.193 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000653608364 415051329 /nfs/dbraw/zinc/05/13/29/415051329.db2.gz NXBIFWDZTLDXKS-WBVHZDCISA-N 2 1 292.423 2.049 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000653608364 415051334 /nfs/dbraw/zinc/05/13/34/415051334.db2.gz NXBIFWDZTLDXKS-WBVHZDCISA-N 2 1 292.423 2.049 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657830159 415096447 /nfs/dbraw/zinc/09/64/47/415096447.db2.gz MIBOSSVLXINHGF-GFCCVEGCSA-N 2 1 254.443 2.489 20 0 CEADMP CO[C@H](C[NH2+]C1CC[NH+](C)CC1)C1CCCCC1 ZINC000657782121 415077387 /nfs/dbraw/zinc/07/73/87/415077387.db2.gz JAKKRYYLMIXSAX-OAHLLOKOSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000653727193 415087676 /nfs/dbraw/zinc/08/76/76/415087676.db2.gz QDARPKYYKGYMFE-QGZVFWFLSA-N 2 1 288.435 2.499 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC[NH+](CC2CC2)CC1 ZINC000657815223 415094073 /nfs/dbraw/zinc/09/40/73/415094073.db2.gz NFJAVBJFICVCLD-MSOLQXFVSA-N 3 1 291.483 2.325 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653569295 415040424 /nfs/dbraw/zinc/04/04/24/415040424.db2.gz KPCHPUMAVXKYQU-INIZCTEOSA-N 2 1 287.411 2.232 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000653569295 415040428 /nfs/dbraw/zinc/04/04/28/415040428.db2.gz KPCHPUMAVXKYQU-INIZCTEOSA-N 2 1 287.411 2.232 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000657973821 415141453 /nfs/dbraw/zinc/14/14/53/415141453.db2.gz JHLARFFCPREKCI-ABAIWWIYSA-N 2 1 291.420 2.014 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000043325421 175006937 /nfs/dbraw/zinc/00/69/37/175006937.db2.gz DXJVAKPDZSDAPM-CQSZACIVSA-N 2 1 297.443 2.070 20 0 CEADMP CC[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000658091543 415207574 /nfs/dbraw/zinc/20/75/74/415207574.db2.gz UGVCFURATBNXAH-BPLDGKMQSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000658091543 415207583 /nfs/dbraw/zinc/20/75/83/415207583.db2.gz UGVCFURATBNXAH-BPLDGKMQSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H](COc1c(F)cccc1F)[NH2+]C1CC[NH+](C)CC1 ZINC000658178954 415252769 /nfs/dbraw/zinc/25/27/69/415252769.db2.gz ZGQQHTHILJGQSG-NSHDSACASA-N 2 1 284.350 2.416 20 0 CEADMP C[C@]1(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1(F)F ZINC000658218147 415257922 /nfs/dbraw/zinc/25/79/22/415257922.db2.gz COPCTXQSEVRTDV-KBPBESRZSA-N 2 1 288.382 2.265 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351500125 287301788 /nfs/dbraw/zinc/30/17/88/287301788.db2.gz WPMJBKGXWJEDAE-CWVYHPPDSA-N 2 1 266.429 2.251 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2Cc2ccccc2)CC[N@H+]1C ZINC000658348170 415328644 /nfs/dbraw/zinc/32/86/44/415328644.db2.gz NHLSCBCXKWFBPS-KBAYOESNSA-N 2 1 287.451 2.333 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C2CCCCC2)C1 ZINC000661577461 415336016 /nfs/dbraw/zinc/33/60/16/415336016.db2.gz BFMDAGLCGDENLN-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000661577461 415336023 /nfs/dbraw/zinc/33/60/23/415336023.db2.gz BFMDAGLCGDENLN-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000661577461 415336028 /nfs/dbraw/zinc/33/60/28/415336028.db2.gz BFMDAGLCGDENLN-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP Fc1cccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655698824 415395120 /nfs/dbraw/zinc/39/51/20/415395120.db2.gz WZURHCGHLNLMNQ-KRWDZBQOSA-N 2 1 292.398 2.211 20 0 CEADMP CCCCOCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655702913 415397603 /nfs/dbraw/zinc/39/76/03/415397603.db2.gz FXHSSEZMURSESO-INIZCTEOSA-N 2 1 284.444 2.036 20 0 CEADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCC1 ZINC000655707408 415400522 /nfs/dbraw/zinc/40/05/22/415400522.db2.gz QUROLSZHTUWUFM-HNNXBMFYSA-N 2 1 252.402 2.020 20 0 CEADMP CO[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)C ZINC000655718951 415408924 /nfs/dbraw/zinc/40/89/24/415408924.db2.gz QUIHBYACDNYHCV-JKSUJKDBSA-N 2 1 298.471 2.281 20 0 CEADMP C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2cnc[nH]2)C1 ZINC000661649879 415382701 /nfs/dbraw/zinc/38/27/01/415382701.db2.gz QJDUEFKSVVGUMR-QGZVFWFLSA-N 2 1 284.407 2.159 20 0 CEADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(Cc2cnc[nH]2)C1 ZINC000661649879 415382702 /nfs/dbraw/zinc/38/27/02/415382702.db2.gz QJDUEFKSVVGUMR-QGZVFWFLSA-N 2 1 284.407 2.159 20 0 CEADMP C(C[C@H]1CCCCO1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655752550 415433092 /nfs/dbraw/zinc/43/30/92/415433092.db2.gz ZWKCYNDQSBTLRU-IAGOWNOFSA-N 2 1 296.455 2.179 20 0 CEADMP CCOC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000655760379 415442013 /nfs/dbraw/zinc/44/20/13/415442013.db2.gz OOJDNUKAADUZJU-IAGOWNOFSA-N 2 1 298.471 2.281 20 0 CEADMP FC1(F)CC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655764721 415445179 /nfs/dbraw/zinc/44/51/79/415445179.db2.gz PYYFSFQKCLSQJN-GXTWGEPZSA-N 2 1 288.382 2.265 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)CC[N@@H+]1C ZINC000655838340 415511235 /nfs/dbraw/zinc/51/12/35/415511235.db2.gz AIGJBDPJCDLSGJ-CRWXNKLISA-N 2 1 254.418 2.405 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)CC[N@H+]1C ZINC000655838340 415511247 /nfs/dbraw/zinc/51/12/47/415511247.db2.gz AIGJBDPJCDLSGJ-CRWXNKLISA-N 2 1 254.418 2.405 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H]1CCCCO1 ZINC000655848930 415515351 /nfs/dbraw/zinc/51/53/51/415515351.db2.gz LQCFTEMMDWJPMM-GJZGRUSLSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCO1 ZINC000665251205 415650353 /nfs/dbraw/zinc/65/03/53/415650353.db2.gz JXFPFTLLONAQJU-QMCVQRASSA-N 2 1 274.408 2.289 20 0 CEADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000656194577 415628350 /nfs/dbraw/zinc/62/83/50/415628350.db2.gz LEEVFBFHKYFXAO-JSGCOSHPSA-N 2 1 276.380 2.251 20 0 CEADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000656194578 415628573 /nfs/dbraw/zinc/62/85/73/415628573.db2.gz LEEVFBFHKYFXAO-OCCSQVGLSA-N 2 1 276.380 2.251 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccccn1 ZINC000665231968 415635099 /nfs/dbraw/zinc/63/50/99/415635099.db2.gz CFOKEUICTYMSLM-RYUDHWBXSA-N 2 1 256.353 2.343 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000665236805 415637819 /nfs/dbraw/zinc/63/78/19/415637819.db2.gz UWCAKAZNKLJJRP-MJBXVCDLSA-N 2 1 253.434 2.109 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258471 415653391 /nfs/dbraw/zinc/65/33/91/415653391.db2.gz ACCGBSYAHZXRFN-VDNDLQMASA-N 2 1 292.398 2.286 20 0 CEADMP Cc1ccc(F)c(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662147905 415655380 /nfs/dbraw/zinc/65/53/80/415655380.db2.gz IRGKPSGQWWDFMI-MRXNPFEDSA-N 2 1 292.398 2.165 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000662160009 415660720 /nfs/dbraw/zinc/66/07/20/415660720.db2.gz HGMKHSPVLCEJHK-ZNMIVQPWSA-N 2 1 256.434 2.341 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000662160009 415660723 /nfs/dbraw/zinc/66/07/23/415660723.db2.gz HGMKHSPVLCEJHK-ZNMIVQPWSA-N 2 1 256.434 2.341 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000662160009 415660724 /nfs/dbraw/zinc/66/07/24/415660724.db2.gz HGMKHSPVLCEJHK-ZNMIVQPWSA-N 2 1 256.434 2.341 20 0 CEADMP CCC1([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCOCC1 ZINC000656256130 415664088 /nfs/dbraw/zinc/66/40/88/415664088.db2.gz ULWGYWKYCRBTOB-MRXNPFEDSA-N 2 1 296.455 2.179 20 0 CEADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000656256076 415664519 /nfs/dbraw/zinc/66/45/19/415664519.db2.gz RSHKELLEGICLJK-HOTGVXAUSA-N 2 1 296.418 2.140 20 0 CEADMP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000656256078 415665324 /nfs/dbraw/zinc/66/53/24/415665324.db2.gz RSHKELLEGICLJK-IYBDPMFKSA-N 2 1 296.418 2.140 20 0 CEADMP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000656256078 415665327 /nfs/dbraw/zinc/66/53/27/415665327.db2.gz RSHKELLEGICLJK-IYBDPMFKSA-N 2 1 296.418 2.140 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCC[C@H](OC3CCC3)C2)n1C ZINC000656270750 415669490 /nfs/dbraw/zinc/66/94/90/415669490.db2.gz HYKVZQAZGKSBQW-HNNXBMFYSA-N 2 1 292.427 2.020 20 0 CEADMP CN(C)c1ncc(CN2CCC[C@H](OC3CCC3)C2)n1C ZINC000656270750 415669494 /nfs/dbraw/zinc/66/94/94/415669494.db2.gz HYKVZQAZGKSBQW-HNNXBMFYSA-N 2 1 292.427 2.020 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c(C)c1 ZINC000665290844 415678202 /nfs/dbraw/zinc/67/82/02/415678202.db2.gz MJVVFGOTXUAEEF-GFCCVEGCSA-N 2 1 286.379 2.109 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCc2ccccc21 ZINC000662197136 415680306 /nfs/dbraw/zinc/68/03/06/415680306.db2.gz RIJFXWRWPBHGSA-DLBZAZTESA-N 2 1 290.451 2.349 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000662197136 415680309 /nfs/dbraw/zinc/68/03/09/415680309.db2.gz RIJFXWRWPBHGSA-DLBZAZTESA-N 2 1 290.451 2.349 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000662197136 415680312 /nfs/dbraw/zinc/68/03/12/415680312.db2.gz RIJFXWRWPBHGSA-DLBZAZTESA-N 2 1 290.451 2.349 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299170 415685753 /nfs/dbraw/zinc/68/57/53/415685753.db2.gz HWXLKLUTDBHZNR-OIISXLGYSA-N 2 1 279.472 2.086 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299170 415685761 /nfs/dbraw/zinc/68/57/61/415685761.db2.gz HWXLKLUTDBHZNR-OIISXLGYSA-N 2 1 279.472 2.086 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299170 415685771 /nfs/dbraw/zinc/68/57/71/415685771.db2.gz HWXLKLUTDBHZNR-OIISXLGYSA-N 2 1 279.472 2.086 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]2CCCC[C@@H]12 ZINC000662253884 415718425 /nfs/dbraw/zinc/71/84/25/415718425.db2.gz XXKXSZLVTICDRT-UGUYLWEFSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254746 415719352 /nfs/dbraw/zinc/71/93/52/415719352.db2.gz KXWZOXRSSKFYLX-MGPQQGTHSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1c2c(F)cccc2CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254115 415721367 /nfs/dbraw/zinc/72/13/67/415721367.db2.gz FLJVOMKGHRSSMY-TZMCWYRMSA-N 2 1 290.382 2.266 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257164 415724293 /nfs/dbraw/zinc/72/42/93/415724293.db2.gz QIOWONLQQVWCAN-SOUVJXGZSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662266224 415732470 /nfs/dbraw/zinc/73/24/70/415732470.db2.gz KTYNMEZMLFHZSJ-ZYHUDNBSSA-N 2 1 298.333 2.220 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC000662247514 415707101 /nfs/dbraw/zinc/70/71/01/415707101.db2.gz WTUKUCPJHRMELK-JTQLQIEISA-N 2 1 272.364 2.338 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCSc2ccc(F)cc2F)C1 ZINC000662247514 415707107 /nfs/dbraw/zinc/70/71/07/415707107.db2.gz WTUKUCPJHRMELK-JTQLQIEISA-N 2 1 272.364 2.338 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC000662245092 415707309 /nfs/dbraw/zinc/70/73/09/415707309.db2.gz HPKBXMRJQGNRAG-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662247791 415709178 /nfs/dbraw/zinc/70/91/78/415709178.db2.gz LDTPLVIJMSAVRI-KRWDZBQOSA-N 3 1 275.440 2.138 20 0 CEADMP CC(C)[C@@H]([NH3+])CCN(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662247791 415709185 /nfs/dbraw/zinc/70/91/85/415709185.db2.gz LDTPLVIJMSAVRI-KRWDZBQOSA-N 2 1 275.440 2.138 20 0 CEADMP c1ccc(C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662249094 415710191 /nfs/dbraw/zinc/71/01/91/415710191.db2.gz ORKZHMGFHGZMDL-INIZCTEOSA-N 2 1 272.392 2.172 20 0 CEADMP Fc1ccc(C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662248434 415710542 /nfs/dbraw/zinc/71/05/42/415710542.db2.gz BNWLIRYTBYIWPJ-INIZCTEOSA-N 2 1 290.382 2.311 20 0 CEADMP C[C@@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250741 415715523 /nfs/dbraw/zinc/71/55/23/415715523.db2.gz NCVGEEQJNVWCJK-STQMWFEESA-N 2 1 278.371 2.340 20 0 CEADMP C[N@@H+](CCc1nsc2ccccc21)C1CC([NH3+])C1 ZINC000662272938 415739440 /nfs/dbraw/zinc/73/94/40/415739440.db2.gz IQUORPMEACIRHZ-UHFFFAOYSA-N 2 1 261.394 2.260 20 0 CEADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000662282480 415748742 /nfs/dbraw/zinc/74/87/42/415748742.db2.gz VTRUWITZEJVQAP-KGLIPLIRSA-N 2 1 254.418 2.252 20 0 CEADMP CCc1nocc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000662283083 415749195 /nfs/dbraw/zinc/74/91/95/415749195.db2.gz KKTMNNPCBQABIZ-LBPRGKRZSA-N 2 1 263.385 2.201 20 0 CEADMP C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)OCC1CC1 ZINC000662297448 415761057 /nfs/dbraw/zinc/76/10/57/415761057.db2.gz QALSYAJTHGNHDB-MRXNPFEDSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCOCC2CC2)[C@@H]1CCC[NH3+] ZINC000662314786 415773517 /nfs/dbraw/zinc/77/35/17/415773517.db2.gz QDKNQZSHYJHHFQ-UKRRQHHQSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCCCCC2)[C@@H]1CCC[NH3+] ZINC000662313416 415773562 /nfs/dbraw/zinc/77/35/62/415773562.db2.gz MXSNAFMYUQHJQE-HZPDHXFCSA-N 2 1 295.471 2.228 20 0 CEADMP CC(C)=CCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000659908728 415773594 /nfs/dbraw/zinc/77/35/94/415773594.db2.gz GHYAJUNBLXPQMW-QGZVFWFLSA-N 2 1 279.472 2.445 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)[C@@H]1CCC[NH3+] ZINC000662315537 415774385 /nfs/dbraw/zinc/77/43/85/415774385.db2.gz HOEBYRBKCRPNMK-QLFBSQMISA-N 2 1 254.418 2.395 20 0 CEADMP Oc1ccc2c(c1)C[N@H+](CCCC1CC[NH2+]CC1)CCO2 ZINC000662315542 415774572 /nfs/dbraw/zinc/77/45/72/415774572.db2.gz GIEGSXLOPIEMPV-UHFFFAOYSA-N 2 1 290.407 2.366 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C1CCC1 ZINC000662284317 415751150 /nfs/dbraw/zinc/75/11/50/415751150.db2.gz MNHVSCKLMIYEDS-QBPKDAKJSA-N 2 1 296.455 2.162 20 0 CEADMP CC(C)(C)c1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662285315 415751475 /nfs/dbraw/zinc/75/14/75/415751475.db2.gz ABOVPLMXDNMRCM-UHFFFAOYSA-N 2 1 276.424 2.188 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])C1CCC1 ZINC000662284281 415751928 /nfs/dbraw/zinc/75/19/28/415751928.db2.gz GVEZFMRJRHNJIJ-BPLDGKMQSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)C1CCCCC1 ZINC000662284462 415752096 /nfs/dbraw/zinc/75/20/96/415752096.db2.gz YKYOBUDSYUQEOT-FVQBIDKESA-N 2 1 268.445 2.498 20 0 CEADMP CCc1nnc([C@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)[nH]1 ZINC000662295614 415757972 /nfs/dbraw/zinc/75/79/72/415757972.db2.gz VSUCIPGAYDNFIQ-JSGCOSHPSA-N 2 1 291.443 2.140 20 0 CEADMP Nc1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662295266 415759604 /nfs/dbraw/zinc/75/96/04/415759604.db2.gz UTOWAGZXJWGKOQ-INIZCTEOSA-N 2 1 273.424 2.480 20 0 CEADMP COc1cc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)sn1 ZINC000659882724 415759770 /nfs/dbraw/zinc/75/97/70/415759770.db2.gz MFRMRWFNRNMMKQ-NSHDSACASA-N 2 1 278.381 2.185 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@H](n3ccnc3)C2)sn1 ZINC000659882724 415759773 /nfs/dbraw/zinc/75/97/73/415759773.db2.gz MFRMRWFNRNMMKQ-NSHDSACASA-N 2 1 278.381 2.185 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000659989884 415831935 /nfs/dbraw/zinc/83/19/35/415831935.db2.gz VHMKAGVMLLAWBS-ZACQAIPSSA-N 2 1 281.488 2.238 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])on1 ZINC000662318425 415779264 /nfs/dbraw/zinc/77/92/64/415779264.db2.gz ZFASCHKTGXKYJZ-BXUZGUMPSA-N 2 1 251.374 2.322 20 0 CEADMP FC(F)(F)C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000662325967 415781876 /nfs/dbraw/zinc/78/18/76/415781876.db2.gz MSZXQCORUYCYGH-CYBMUJFWSA-N 2 1 294.361 2.419 20 0 CEADMP FC(F)(F)C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000662325967 415781882 /nfs/dbraw/zinc/78/18/82/415781882.db2.gz MSZXQCORUYCYGH-CYBMUJFWSA-N 2 1 294.361 2.419 20 0 CEADMP CC[C@@]1(C)CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000659975815 415817827 /nfs/dbraw/zinc/81/78/27/415817827.db2.gz OVMKSPZWMWXXDN-CABCVRRESA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@]1(C)CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000659975815 415817833 /nfs/dbraw/zinc/81/78/33/415817833.db2.gz OVMKSPZWMWXXDN-CABCVRRESA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@]1(C)CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000659975815 415817836 /nfs/dbraw/zinc/81/78/36/415817836.db2.gz OVMKSPZWMWXXDN-CABCVRRESA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000662385954 415819437 /nfs/dbraw/zinc/81/94/37/415819437.db2.gz MMDMNBQWRLRRAR-INIZCTEOSA-N 2 1 291.439 2.141 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC000659978484 415821976 /nfs/dbraw/zinc/82/19/76/415821976.db2.gz CRSODZYUWKPYFE-SJORKVTESA-N 2 1 298.471 2.234 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC000659978482 415823663 /nfs/dbraw/zinc/82/36/63/415823663.db2.gz CRSODZYUWKPYFE-IAGOWNOFSA-N 2 1 298.471 2.234 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@@H](O)C2)C[C@@H]1C ZINC000659983638 415827649 /nfs/dbraw/zinc/82/76/49/415827649.db2.gz RMNMOAWPNRFVCX-XUWVNRHRSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC[C@@H](O)C2)C[C@@H]1C ZINC000659983638 415827653 /nfs/dbraw/zinc/82/76/53/415827653.db2.gz RMNMOAWPNRFVCX-XUWVNRHRSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC[C@@H](O)C2)C[C@@H]1C ZINC000659983638 415827656 /nfs/dbraw/zinc/82/76/56/415827656.db2.gz RMNMOAWPNRFVCX-XUWVNRHRSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C[C@H]1n1ccnc1 ZINC000660111761 415885495 /nfs/dbraw/zinc/88/54/95/415885495.db2.gz HGRJBVXYZSBYKL-JHJVBQTASA-N 2 1 285.338 2.190 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662592247 415896742 /nfs/dbraw/zinc/89/67/42/415896742.db2.gz IIDDKHKFEJLDEP-ZIAGYGMSSA-N 2 1 297.487 2.247 20 0 CEADMP C[C@H]1C[N@@H+](CCC2CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660155208 415907001 /nfs/dbraw/zinc/90/70/01/415907001.db2.gz MRKKHJDYXRHMGE-DOTOQJQBSA-N 2 1 279.472 2.134 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)C1 ZINC000662484133 415860279 /nfs/dbraw/zinc/86/02/79/415860279.db2.gz GHLTZRVUSYOCOV-CVEARBPZSA-N 2 1 297.487 2.188 20 0 CEADMP CCn1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656785181 415860408 /nfs/dbraw/zinc/86/04/08/415860408.db2.gz KGKYUPBXVYCQFY-INIZCTEOSA-N 2 1 276.428 2.115 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2scnc2C2CC2)CCCC1 ZINC000656789138 415865147 /nfs/dbraw/zinc/86/51/47/415865147.db2.gz KMHKWNOTDFEHID-UHFFFAOYSA-N 2 1 251.399 2.382 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662695296 415932955 /nfs/dbraw/zinc/93/29/55/415932955.db2.gz JMKUZLBQTCEDMZ-KBPBESRZSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@@H]2CCCC[C@@H]21 ZINC000660238602 415934622 /nfs/dbraw/zinc/93/46/22/415934622.db2.gz KWGPRWDRNBVFAZ-WCVJEAGWSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@@H]2CCCC[C@@H]21 ZINC000660238602 415934624 /nfs/dbraw/zinc/93/46/24/415934624.db2.gz KWGPRWDRNBVFAZ-WCVJEAGWSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@@H]2CCCC[C@@H]21 ZINC000660238602 415934627 /nfs/dbraw/zinc/93/46/27/415934627.db2.gz KWGPRWDRNBVFAZ-WCVJEAGWSA-N 2 1 268.445 2.198 20 0 CEADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770611 419423950 /nfs/dbraw/zinc/42/39/50/419423950.db2.gz MXRHZVQGSITIDQ-DZGCQCFKSA-N 2 1 290.407 2.468 20 0 CEADMP c1nc2ccccn2c1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000666968804 419498417 /nfs/dbraw/zinc/49/84/17/419498417.db2.gz DCOJFTRWCXBCMQ-ZBFHGGJFSA-N 2 1 284.407 2.298 20 0 CEADMP c1nc2ccccn2c1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000666968804 419498418 /nfs/dbraw/zinc/49/84/18/419498418.db2.gz DCOJFTRWCXBCMQ-ZBFHGGJFSA-N 2 1 284.407 2.298 20 0 CEADMP C[C@@H](CC1CCC1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000666978560 419499759 /nfs/dbraw/zinc/49/97/59/419499759.db2.gz PLXOYAYNIVFTHL-OOHWJJMZSA-N 2 1 279.472 2.371 20 0 CEADMP Cn1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(C(C)(C)C)n1 ZINC000666996962 419508563 /nfs/dbraw/zinc/50/85/63/419508563.db2.gz NZDSVAHRXRSDBY-AWEZNQCLSA-N 2 1 290.455 2.482 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667733625 419785053 /nfs/dbraw/zinc/78/50/53/419785053.db2.gz LCASLRDRNKYBJL-ZDUSSCGKSA-N 2 1 292.427 2.387 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000179446875 260048394 /nfs/dbraw/zinc/04/83/94/260048394.db2.gz IWHKFKAWWIIMFK-KBPBESRZSA-N 2 1 282.428 2.134 20 0 CEADMP CN(C)C(=O)O[C@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000497285273 262134684 /nfs/dbraw/zinc/13/46/84/262134684.db2.gz SSYPOUQWXYYGDM-CABCVRRESA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)O[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000497285273 262134686 /nfs/dbraw/zinc/13/46/86/262134686.db2.gz SSYPOUQWXYYGDM-CABCVRRESA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)O[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000497285273 262134688 /nfs/dbraw/zinc/13/46/88/262134688.db2.gz SSYPOUQWXYYGDM-CABCVRRESA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)O[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000497285273 262134690 /nfs/dbraw/zinc/13/46/90/262134690.db2.gz SSYPOUQWXYYGDM-CABCVRRESA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)O[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000497285273 262134691 /nfs/dbraw/zinc/13/46/91/262134691.db2.gz SSYPOUQWXYYGDM-CABCVRRESA-N 2 1 297.443 2.023 20 0 CEADMP C[C@@H]([NH2+]CCCc1nccs1)[C@H]1CCCC[NH2+]1 ZINC000391172496 262385227 /nfs/dbraw/zinc/38/52/27/262385227.db2.gz LSNONXCQQCPEIT-VXGBXAGGSA-N 2 1 253.415 2.196 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2C)C12CCC2 ZINC000453058745 263184473 /nfs/dbraw/zinc/18/44/73/263184473.db2.gz JWJFSLGRXOZOHV-UONOGXRCSA-N 2 1 263.385 2.129 20 0 CEADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)cc2)[C@H]1C[NH3+] ZINC000430551395 263262832 /nfs/dbraw/zinc/26/28/32/263262832.db2.gz HXIKIKVHDFEBDS-DOMZBBRYSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)[C@H]1C[NH3+] ZINC000430551395 263262833 /nfs/dbraw/zinc/26/28/33/263262833.db2.gz HXIKIKVHDFEBDS-DOMZBBRYSA-N 2 1 293.386 2.214 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC000425991214 264279722 /nfs/dbraw/zinc/27/97/22/264279722.db2.gz SPNJLMHIIHVWCE-WCXIOVBPSA-N 2 1 256.393 2.284 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC000425991214 264279724 /nfs/dbraw/zinc/27/97/24/264279724.db2.gz SPNJLMHIIHVWCE-WCXIOVBPSA-N 2 1 256.393 2.284 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC000425991214 264279726 /nfs/dbraw/zinc/27/97/26/264279726.db2.gz SPNJLMHIIHVWCE-WCXIOVBPSA-N 2 1 256.393 2.284 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000425413036 264291343 /nfs/dbraw/zinc/29/13/43/264291343.db2.gz ATRGWUBJMGFXSD-DJIMGWMZSA-N 2 1 278.440 2.360 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](OC)C2CC2)C1 ZINC000425411969 264294746 /nfs/dbraw/zinc/29/47/46/264294746.db2.gz BIZRIVNDBQQOIS-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](OC)C2CC2)C1 ZINC000425411969 264294748 /nfs/dbraw/zinc/29/47/48/264294748.db2.gz BIZRIVNDBQQOIS-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](OC)C2CC2)C1 ZINC000425411969 264294750 /nfs/dbraw/zinc/29/47/50/264294750.db2.gz BIZRIVNDBQQOIS-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[C@@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000187678858 270255303 /nfs/dbraw/zinc/25/53/03/270255303.db2.gz VHLYGBNXOBKROL-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192755804 270279926 /nfs/dbraw/zinc/27/99/26/270279926.db2.gz UPIFZVWHNGXHMK-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227405555 270310524 /nfs/dbraw/zinc/31/05/24/270310524.db2.gz STBHNSUAAJYUID-KGLIPLIRSA-N 2 1 297.443 2.118 20 0 CEADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC[N@H+]1CC=CCC1 ZINC000392190585 270340331 /nfs/dbraw/zinc/34/03/31/270340331.db2.gz ACFDXQQUZUKIII-JKSUJKDBSA-N 2 1 265.445 2.149 20 0 CEADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC[N@@H+]1CC=CCC1 ZINC000392190585 270340332 /nfs/dbraw/zinc/34/03/32/270340332.db2.gz ACFDXQQUZUKIII-JKSUJKDBSA-N 2 1 265.445 2.149 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395085960 270344295 /nfs/dbraw/zinc/34/42/95/270344295.db2.gz CUOSERRVWZBJMC-RYQLBKOJSA-N 2 1 287.451 2.381 20 0 CEADMP CC(C)[C@@H]1CCCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000395859562 270348714 /nfs/dbraw/zinc/34/87/14/270348714.db2.gz RJEIYPMWMRWHEC-BZSNNMDCSA-N 2 1 290.451 2.428 20 0 CEADMP CC(C)[C@@H]1CCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000395859562 270348716 /nfs/dbraw/zinc/34/87/16/270348716.db2.gz RJEIYPMWMRWHEC-BZSNNMDCSA-N 2 1 290.451 2.428 20 0 CEADMP CC(C)C[C@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000396910275 270350273 /nfs/dbraw/zinc/35/02/73/270350273.db2.gz JBWOULCMWRLHJE-LLVKDONJSA-N 2 1 266.389 2.274 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1ccc(F)cc1 ZINC000420369185 270529927 /nfs/dbraw/zinc/52/99/27/270529927.db2.gz URTIGVBENZRSJW-ZDUSSCGKSA-N 2 1 254.349 2.168 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1ccccc1F ZINC000420372065 270530803 /nfs/dbraw/zinc/53/08/03/270530803.db2.gz XWCVIXKKYZXACZ-ZDUSSCGKSA-N 2 1 254.349 2.168 20 0 CEADMP O[C@H](C[NH2+]Cc1cccc(C2CC2)c1)C[NH+]1CCCC1 ZINC000421328791 270604312 /nfs/dbraw/zinc/60/43/12/270604312.db2.gz UCQNYQKKZDGFCH-QGZVFWFLSA-N 2 1 274.408 2.110 20 0 CEADMP CN(C)c1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c2ccccc2n1 ZINC000422810032 270778501 /nfs/dbraw/zinc/77/85/01/270778501.db2.gz QVVOJBGQJLEGAP-HOCLYGCPSA-N 2 1 284.407 2.270 20 0 CEADMP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1OC ZINC000422822926 270785037 /nfs/dbraw/zinc/78/50/37/270785037.db2.gz BWFSVSCLRRHTEE-ZIAGYGMSSA-N 2 1 278.396 2.453 20 0 CEADMP Cc1csc([C@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)n1 ZINC000423035723 270822652 /nfs/dbraw/zinc/82/26/52/270822652.db2.gz JVZBSBVSAGOJCJ-ADEWGFFLSA-N 2 1 253.415 2.285 20 0 CEADMP CC[C@H](NCCCCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423140119 270848201 /nfs/dbraw/zinc/84/82/01/270848201.db2.gz XJOUAWIPGZBHCX-HOTGVXAUSA-N 2 1 267.461 2.373 20 0 CEADMP CC[C@@H]([NH2+]CCc1scnc1C)[C@@H]1CCC[NH2+]1 ZINC000423158575 270854977 /nfs/dbraw/zinc/85/49/77/270854977.db2.gz OFKKLHCDPHZRDU-NEPJUHHUSA-N 2 1 253.415 2.114 20 0 CEADMP C[C@@H](Cc1ccoc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423193977 270866293 /nfs/dbraw/zinc/86/62/93/270866293.db2.gz XVFLCGGMMMMDEK-AWEZNQCLSA-N 2 1 273.380 2.375 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000423368307 270905446 /nfs/dbraw/zinc/90/54/46/270905446.db2.gz ZLKYWWWIYLLAHF-BZUAXINKSA-N 2 1 297.487 2.377 20 0 CEADMP c1ccc(CN2CC[C@H]3C[N@H+](CC4CC[NH2+]CC4)C[C@H]32)cc1 ZINC000424273318 271037776 /nfs/dbraw/zinc/03/77/76/271037776.db2.gz WMZSANNHARYETO-RBUKOAKNSA-N 2 1 299.462 2.192 20 0 CEADMP CC(C)[C@H](c1nc(C2([NH3+])CCCCC2)no1)[NH+](C)C ZINC000424340380 271048620 /nfs/dbraw/zinc/04/86/20/271048620.db2.gz GRZFHLZXDCNMMW-LLVKDONJSA-N 2 1 266.389 2.446 20 0 CEADMP COCC(C)(C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000426415496 271219944 /nfs/dbraw/zinc/21/99/44/271219944.db2.gz DMRLWIPBQGCLNI-CQSZACIVSA-N 2 1 254.418 2.077 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc1)C1CC1 ZINC000429334817 271323999 /nfs/dbraw/zinc/32/39/99/271323999.db2.gz QGXKYDBLKFSQGS-ZDUSSCGKSA-N 2 1 289.423 2.090 20 0 CEADMP COC(=O)[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)[C@H]1C(C)C ZINC000429385124 271326171 /nfs/dbraw/zinc/32/61/71/271326171.db2.gz USQCCRBCIGRJEQ-PMPSAXMXSA-N 2 1 296.455 2.380 20 0 CEADMP COC(=O)[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)[C@H]1C(C)C ZINC000429385124 271326174 /nfs/dbraw/zinc/32/61/74/271326174.db2.gz USQCCRBCIGRJEQ-PMPSAXMXSA-N 2 1 296.455 2.380 20 0 CEADMP C[C@H]([NH3+])c1ccc(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000429498451 271334634 /nfs/dbraw/zinc/33/46/34/271334634.db2.gz QLFLHWKHCBVRBK-MJBXVCDLSA-N 2 1 289.423 2.195 20 0 CEADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000429522156 271336259 /nfs/dbraw/zinc/33/62/59/271336259.db2.gz SPIVSKDMTCQFML-BFHYXJOUSA-N 2 1 254.418 2.406 20 0 CEADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000429522156 271336260 /nfs/dbraw/zinc/33/62/60/271336260.db2.gz SPIVSKDMTCQFML-BFHYXJOUSA-N 2 1 254.418 2.406 20 0 CEADMP COC1(C[C@@H](C)[NH2+]CC2([NH+](C)C)CCOCC2)CCC1 ZINC000429528426 271336580 /nfs/dbraw/zinc/33/65/80/271336580.db2.gz PEXDTAMVDIQPTO-CQSZACIVSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCC2CCCCC2)C1 ZINC000430551514 271388517 /nfs/dbraw/zinc/38/85/17/271388517.db2.gz IKCMLNZSWFEZLA-DZKIICNBSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCC2CCCCC2)C1 ZINC000430551514 271388518 /nfs/dbraw/zinc/38/85/18/271388518.db2.gz IKCMLNZSWFEZLA-DZKIICNBSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@](C[NH3+])([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)C1CC1 ZINC000430558449 271389783 /nfs/dbraw/zinc/38/97/83/271389783.db2.gz AVHPTGREPMYXLN-HNNXBMFYSA-N 2 1 297.349 2.010 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430591465 271396586 /nfs/dbraw/zinc/39/65/86/271396586.db2.gz FSWOIGBPYAXFMK-PWSUYJOCSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430591465 271396588 /nfs/dbraw/zinc/39/65/88/271396588.db2.gz FSWOIGBPYAXFMK-PWSUYJOCSA-N 2 1 251.374 2.105 20 0 CEADMP CC(C)OCCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430599526 271398740 /nfs/dbraw/zinc/39/87/40/271398740.db2.gz VXKOPZGUTQOWCK-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000430599579 271399158 /nfs/dbraw/zinc/39/91/58/271399158.db2.gz WGOUATMARUNUFK-GOEBONIOSA-N 2 1 297.487 2.377 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000430599579 271399159 /nfs/dbraw/zinc/39/91/59/271399159.db2.gz WGOUATMARUNUFK-GOEBONIOSA-N 2 1 297.487 2.377 20 0 CEADMP CCCCOCC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000441830443 271812514 /nfs/dbraw/zinc/81/25/14/271812514.db2.gz YMUZMBCTBSROPL-OAHLLOKOSA-N 2 1 256.434 2.467 20 0 CEADMP CCCCOCC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000441830443 271812511 /nfs/dbraw/zinc/81/25/11/271812511.db2.gz YMUZMBCTBSROPL-OAHLLOKOSA-N 2 1 256.434 2.467 20 0 CEADMP CC(C)n1cc2c(n1)C[C@@H]([NH2+]C1CC[NH+](C)CC1)CC2 ZINC000358284980 275784295 /nfs/dbraw/zinc/78/42/95/275784295.db2.gz IHBOLRMVVCSZTM-HNNXBMFYSA-N 2 1 276.428 2.005 20 0 CEADMP CC(C)[C@](C)(O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248552122 276037772 /nfs/dbraw/zinc/03/77/72/276037772.db2.gz IYPDCHFIDCKZBE-BHYGNILZSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248552122 276037774 /nfs/dbraw/zinc/03/77/74/276037774.db2.gz IYPDCHFIDCKZBE-BHYGNILZSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248552122 276037775 /nfs/dbraw/zinc/03/77/75/276037775.db2.gz IYPDCHFIDCKZBE-BHYGNILZSA-N 2 1 280.456 2.342 20 0 CEADMP CC1CC[NH+](C2CCC([NH2+]CC(C)(C)N)CC2)CC1 ZINC000415112345 276194824 /nfs/dbraw/zinc/19/48/24/276194824.db2.gz RTUCYCLJAOUSAI-UHFFFAOYSA-N 2 1 267.461 2.356 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC000107368784 276200796 /nfs/dbraw/zinc/20/07/96/276200796.db2.gz XZZWVLNEXAZXNH-KRWDZBQOSA-N 2 1 279.472 2.279 20 0 CEADMP CCCCC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351541661 276228829 /nfs/dbraw/zinc/22/88/29/276228829.db2.gz XOULSAZRFBKOEE-CVEARBPZSA-N 2 1 268.445 2.486 20 0 CEADMP CCCCC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351541661 276228832 /nfs/dbraw/zinc/22/88/32/276228832.db2.gz XOULSAZRFBKOEE-CVEARBPZSA-N 2 1 268.445 2.486 20 0 CEADMP CCCCC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351541661 276228835 /nfs/dbraw/zinc/22/88/35/276228835.db2.gz XOULSAZRFBKOEE-CVEARBPZSA-N 2 1 268.445 2.486 20 0 CEADMP CCCCC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351541661 276228837 /nfs/dbraw/zinc/22/88/37/276228837.db2.gz XOULSAZRFBKOEE-CVEARBPZSA-N 2 1 268.445 2.486 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CCO)c2ccccc2)[C@H](C)C1 ZINC000178647887 276228868 /nfs/dbraw/zinc/22/88/68/276228868.db2.gz PJNBKQHETNVZQZ-NXHRZFHOSA-N 2 1 290.451 2.473 20 0 CEADMP CCN(CCC[NH+](CC)CC)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000351905468 276323748 /nfs/dbraw/zinc/32/37/48/276323748.db2.gz ILDPYABXLAXIKX-IYBDPMFKSA-N 2 1 297.487 2.440 20 0 CEADMP C([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CCCOC1 ZINC000345361371 276813750 /nfs/dbraw/zinc/81/37/50/276813750.db2.gz ZMCKGZVRNZHKAB-INIZCTEOSA-N 2 1 296.455 2.038 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)C1CCCCC1)CC2 ZINC000335866160 277042281 /nfs/dbraw/zinc/04/22/81/277042281.db2.gz JNNAVFYNNGGMJV-MRXNPFEDSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000366401848 277044754 /nfs/dbraw/zinc/04/47/54/277044754.db2.gz OONAJROHVJCRFI-BZUAXINKSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000366401848 277044755 /nfs/dbraw/zinc/04/47/55/277044755.db2.gz OONAJROHVJCRFI-BZUAXINKSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000366401848 277044756 /nfs/dbraw/zinc/04/47/56/277044756.db2.gz OONAJROHVJCRFI-BZUAXINKSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000366401848 277044757 /nfs/dbraw/zinc/04/47/57/277044757.db2.gz OONAJROHVJCRFI-BZUAXINKSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(F)cc3)CC[C@H]21 ZINC000246395159 277068779 /nfs/dbraw/zinc/06/87/79/277068779.db2.gz BHXCZCYSKMZCBH-DJIMGWMZSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(F)cc3)CC[C@H]21 ZINC000246395159 277068781 /nfs/dbraw/zinc/06/87/81/277068781.db2.gz BHXCZCYSKMZCBH-DJIMGWMZSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3)CC[C@H]21 ZINC000246395159 277068782 /nfs/dbraw/zinc/06/87/82/277068782.db2.gz BHXCZCYSKMZCBH-DJIMGWMZSA-N 2 1 292.398 2.275 20 0 CEADMP COC(=O)[C@@H](CC1CCCCC1)[NH2+]CC1CC[NH2+]CC1 ZINC000261981086 277077544 /nfs/dbraw/zinc/07/75/44/277077544.db2.gz RINJCHVYSXYOSV-OAHLLOKOSA-N 2 1 282.428 2.088 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCSC2(CCOCC2)C1 ZINC000186848177 277078506 /nfs/dbraw/zinc/07/85/06/277078506.db2.gz LRIUBGSKDCOAIE-AWEZNQCLSA-N 2 1 284.469 2.069 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCSC2(CCOCC2)C1 ZINC000186848177 277078507 /nfs/dbraw/zinc/07/85/07/277078507.db2.gz LRIUBGSKDCOAIE-AWEZNQCLSA-N 2 1 284.469 2.069 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186848177 277078508 /nfs/dbraw/zinc/07/85/08/277078508.db2.gz LRIUBGSKDCOAIE-AWEZNQCLSA-N 2 1 284.469 2.069 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCSC2(CCOCC2)C1 ZINC000186848177 277078509 /nfs/dbraw/zinc/07/85/09/277078509.db2.gz LRIUBGSKDCOAIE-AWEZNQCLSA-N 2 1 284.469 2.069 20 0 CEADMP COC(=O)[C@]12CCC[C@@H]1C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C2 ZINC000367809845 277146802 /nfs/dbraw/zinc/14/68/02/277146802.db2.gz JYPSVORWTBLYFS-VYDXJSESSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@]12CCC[C@@H]1C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C2 ZINC000367809845 277146804 /nfs/dbraw/zinc/14/68/04/277146804.db2.gz JYPSVORWTBLYFS-VYDXJSESSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@]12CCC[C@@H]1C[NH+](CC[C@@H]1CCCC[N@H+]1C)C2 ZINC000367809845 277146805 /nfs/dbraw/zinc/14/68/05/277146805.db2.gz JYPSVORWTBLYFS-VYDXJSESSA-N 2 1 294.439 2.136 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(O)CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000367519761 277170260 /nfs/dbraw/zinc/17/02/60/277170260.db2.gz QPKMEVSABDQPTR-KKUMJFAQSA-N 2 1 266.429 2.144 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccncc2)[C@@H]2CCC[C@H]21 ZINC000353419840 277171377 /nfs/dbraw/zinc/17/13/77/277171377.db2.gz CXBKTDDBXDPRFT-HRCADAONSA-N 2 1 259.397 2.087 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSCCS2)[C@H]2CCC[C@H]21 ZINC000367602423 277171890 /nfs/dbraw/zinc/17/18/90/277171890.db2.gz STBASPOZALRZJB-YIYPIFLZSA-N 2 1 286.510 2.297 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000361895953 277184402 /nfs/dbraw/zinc/18/44/02/277184402.db2.gz CTQHIIQPXNNCME-BQFCYCMXSA-N 2 1 288.435 2.225 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)C1 ZINC000361895953 277184403 /nfs/dbraw/zinc/18/44/03/277184403.db2.gz CTQHIIQPXNNCME-BQFCYCMXSA-N 2 1 288.435 2.225 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C12CCC2 ZINC000308367775 277312527 /nfs/dbraw/zinc/31/25/27/277312527.db2.gz MJWDKAHPOANBMT-RFQIPJPRSA-N 2 1 252.402 2.016 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C12CCC2 ZINC000308367775 277312529 /nfs/dbraw/zinc/31/25/29/277312529.db2.gz MJWDKAHPOANBMT-RFQIPJPRSA-N 2 1 252.402 2.016 20 0 CEADMP CO[C@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000363686188 277324315 /nfs/dbraw/zinc/32/43/15/277324315.db2.gz DFYDWCMJCBQSJS-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1C ZINC000354510821 277326347 /nfs/dbraw/zinc/32/63/47/277326347.db2.gz MJCAMLZNKCTWLH-FQKPHLNHSA-N 2 1 282.428 2.037 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1C ZINC000354510821 277326348 /nfs/dbraw/zinc/32/63/48/277326348.db2.gz MJCAMLZNKCTWLH-FQKPHLNHSA-N 2 1 282.428 2.037 20 0 CEADMP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000336787243 277348925 /nfs/dbraw/zinc/34/89/25/277348925.db2.gz DOSMVHUBGLKUDE-KGLIPLIRSA-N 2 1 252.402 2.016 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCO[C@@H]2CC(C)C)CC1 ZINC000360044207 277514802 /nfs/dbraw/zinc/51/48/02/277514802.db2.gz CEIPKHGCRMQJDN-IAGOWNOFSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCN2CCc3sccc3C2)CC[N@H+]1C ZINC000132831634 278025963 /nfs/dbraw/zinc/02/59/63/278025963.db2.gz JSMJMJABJUAFHN-UKRRQHHQSA-N 2 1 293.480 2.179 20 0 CEADMP CC(C)n1nccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415057882 278151019 /nfs/dbraw/zinc/15/10/19/278151019.db2.gz UZCSBNVZTZMAFM-GOEBONIOSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415057882 278151021 /nfs/dbraw/zinc/15/10/21/278151021.db2.gz UZCSBNVZTZMAFM-GOEBONIOSA-N 2 1 276.428 2.428 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000333177255 278216600 /nfs/dbraw/zinc/21/66/00/278216600.db2.gz RDNGYKCYCBOYOA-CBBWQLFWSA-N 3 1 253.434 2.157 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000252715408 288079562 /nfs/dbraw/zinc/07/95/62/288079562.db2.gz VMHSBJYKLAVCRV-KBRIMQKVSA-N 2 1 258.409 2.474 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000252715408 288079563 /nfs/dbraw/zinc/07/95/63/288079563.db2.gz VMHSBJYKLAVCRV-KBRIMQKVSA-N 2 1 258.409 2.474 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000252711316 288079674 /nfs/dbraw/zinc/07/96/74/288079674.db2.gz JFGJSUZAXBDCCR-HZSPNIEDSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000252711316 288079676 /nfs/dbraw/zinc/07/96/76/288079676.db2.gz JFGJSUZAXBDCCR-HZSPNIEDSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000348261933 279096723 /nfs/dbraw/zinc/09/67/23/279096723.db2.gz NFFATZWZOFQSBZ-AWEZNQCLSA-N 2 1 256.434 2.105 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000414854808 279141719 /nfs/dbraw/zinc/14/17/19/279141719.db2.gz VOVREQHPRLFZHB-OAHLLOKOSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357836005 288102086 /nfs/dbraw/zinc/10/20/86/288102086.db2.gz RBJFXCKVEGUYRV-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357836005 288102087 /nfs/dbraw/zinc/10/20/87/288102087.db2.gz RBJFXCKVEGUYRV-OWCLPIDISA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357836005 288102088 /nfs/dbraw/zinc/10/20/88/288102088.db2.gz RBJFXCKVEGUYRV-OWCLPIDISA-N 3 1 281.488 2.427 20 0 CEADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367613095 279190711 /nfs/dbraw/zinc/19/07/11/279190711.db2.gz FGJYEUXQKKOODG-BRWVUGGUSA-N 2 1 290.455 2.042 20 0 CEADMP CC(C)C[C@]1(CO)CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414764664 279238969 /nfs/dbraw/zinc/23/89/69/279238969.db2.gz YSPQXTBJTFBJPG-HNNXBMFYSA-N 2 1 256.434 2.248 20 0 CEADMP CC(C)C[C@]1(CO)CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414764664 279238972 /nfs/dbraw/zinc/23/89/72/279238972.db2.gz YSPQXTBJTFBJPG-HNNXBMFYSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000261646530 279349497 /nfs/dbraw/zinc/34/94/97/279349497.db2.gz OYQKPRPRVUUDLC-XLNGHYISSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N(C)C1CC1 ZINC000261646530 279349498 /nfs/dbraw/zinc/34/94/98/279349498.db2.gz OYQKPRPRVUUDLC-XLNGHYISSA-N 2 1 279.472 2.370 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353447362 279355131 /nfs/dbraw/zinc/35/51/31/279355131.db2.gz LBPLVSXMIASWRZ-ARFHVFGLSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353447362 279355135 /nfs/dbraw/zinc/35/51/35/279355135.db2.gz LBPLVSXMIASWRZ-ARFHVFGLSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353447362 279355137 /nfs/dbraw/zinc/35/51/37/279355137.db2.gz LBPLVSXMIASWRZ-ARFHVFGLSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353447362 279355139 /nfs/dbraw/zinc/35/51/39/279355139.db2.gz LBPLVSXMIASWRZ-ARFHVFGLSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353447362 279355142 /nfs/dbraw/zinc/35/51/42/279355142.db2.gz LBPLVSXMIASWRZ-ARFHVFGLSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353447362 279355146 /nfs/dbraw/zinc/35/51/46/279355146.db2.gz LBPLVSXMIASWRZ-ARFHVFGLSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353447362 279355148 /nfs/dbraw/zinc/35/51/48/279355148.db2.gz LBPLVSXMIASWRZ-ARFHVFGLSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000300413134 279355470 /nfs/dbraw/zinc/35/54/70/279355470.db2.gz YQJVUOGVHDUNJD-KFWWJZLASA-N 2 1 255.450 2.035 20 0 CEADMP CC(C)[NH+](C)CCCN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000300413134 279355471 /nfs/dbraw/zinc/35/54/71/279355471.db2.gz YQJVUOGVHDUNJD-KFWWJZLASA-N 2 1 255.450 2.035 20 0 CEADMP CC(C)[NH+](C)CCCN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000300413134 279355472 /nfs/dbraw/zinc/35/54/72/279355472.db2.gz YQJVUOGVHDUNJD-KFWWJZLASA-N 2 1 255.450 2.035 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000300413134 279355473 /nfs/dbraw/zinc/35/54/73/279355473.db2.gz YQJVUOGVHDUNJD-KFWWJZLASA-N 3 1 255.450 2.035 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000300413134 279355474 /nfs/dbraw/zinc/35/54/74/279355474.db2.gz YQJVUOGVHDUNJD-KFWWJZLASA-N 3 1 255.450 2.035 20 0 CEADMP CC(C)[NH+](C)CCC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000300413134 279355475 /nfs/dbraw/zinc/35/54/75/279355475.db2.gz YQJVUOGVHDUNJD-KFWWJZLASA-N 3 1 255.450 2.035 20 0 CEADMP CC(C)[NH+](C)CCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000300413134 279355476 /nfs/dbraw/zinc/35/54/76/279355476.db2.gz YQJVUOGVHDUNJD-KFWWJZLASA-N 3 1 255.450 2.035 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC000337199799 279372453 /nfs/dbraw/zinc/37/24/53/279372453.db2.gz ZDEKXIDJHFCKGR-IRXDYDNUSA-N 2 1 281.488 2.380 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C12CCC2 ZINC000181751737 279814020 /nfs/dbraw/zinc/81/40/20/279814020.db2.gz IGNKWABRCDJHRW-HUUCEWRRSA-N 2 1 296.455 2.035 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000133629284 280001835 /nfs/dbraw/zinc/00/18/35/280001835.db2.gz QKJSNRJYWNYSEA-STQMWFEESA-N 2 1 278.396 2.497 20 0 CEADMP CC(C)(C)OC(=O)NCCC[NH2+]CC[NH+]1CCCCCC1 ZINC000135297184 280042049 /nfs/dbraw/zinc/04/20/49/280042049.db2.gz IDYHPVPUUKECTI-UHFFFAOYSA-N 2 1 299.459 2.367 20 0 CEADMP COc1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000221762800 280211701 /nfs/dbraw/zinc/21/17/01/280211701.db2.gz PJEJHZHYFVAYTM-UONOGXRCSA-N 2 1 278.396 2.004 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000245436222 280239874 /nfs/dbraw/zinc/23/98/74/280239874.db2.gz QWWRRAMTXYTCLJ-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)[C@H](C)C1 ZINC000246956033 280315562 /nfs/dbraw/zinc/31/55/62/280315562.db2.gz INZMBTMRXULOFJ-VNQPRFMTSA-N 2 1 268.445 2.248 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1(C)C ZINC000247088966 280320223 /nfs/dbraw/zinc/32/02/23/280320223.db2.gz ZVTDNDFXTFWFCM-MGPQQGTHSA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000247143410 280321512 /nfs/dbraw/zinc/32/15/12/280321512.db2.gz SLKNTWLGYXHWEM-ULQDDVLXSA-N 3 1 281.488 2.427 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)[NH+](C)C ZINC000249083800 280383106 /nfs/dbraw/zinc/38/31/06/280383106.db2.gz ICJMDFGCYRHSQP-YUELXQCFSA-N 2 1 256.434 2.367 20 0 CEADMP N[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422827574 280927305 /nfs/dbraw/zinc/92/73/05/280927305.db2.gz NGHPKDHJDAIFNT-HOTGVXAUSA-N 2 1 293.480 2.430 20 0 CEADMP C[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)[C@@H]1CCC[NH2+]1 ZINC000423009782 280991243 /nfs/dbraw/zinc/99/12/43/280991243.db2.gz DWNRKGNHRIOVJA-GUYCJALGSA-N 2 1 284.407 2.317 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423054371 281013117 /nfs/dbraw/zinc/01/31/17/281013117.db2.gz UQQWWKCNTGMMCT-JKQORVJESA-N 2 1 275.440 2.222 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000423054371 281013118 /nfs/dbraw/zinc/01/31/18/281013118.db2.gz UQQWWKCNTGMMCT-JKQORVJESA-N 2 1 275.440 2.222 20 0 CEADMP C[C@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000423058975 281014243 /nfs/dbraw/zinc/01/42/43/281014243.db2.gz DOJMHMQPKBKDLB-YJBOKZPZSA-N 2 1 287.451 2.239 20 0 CEADMP COCC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCCCC1 ZINC000423133857 281018029 /nfs/dbraw/zinc/01/80/29/281018029.db2.gz DIAQFLPVZXYHJZ-UONOGXRCSA-N 2 1 254.418 2.171 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)OC ZINC000423162147 281020664 /nfs/dbraw/zinc/02/06/64/281020664.db2.gz SUOAPRLKYYLPPE-MISXGVKJSA-N 2 1 251.374 2.206 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423162275 281020766 /nfs/dbraw/zinc/02/07/66/281020766.db2.gz OYUKPCSHVIIHTN-QSJFSLAZSA-N 2 1 289.423 2.422 20 0 CEADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)C[NH3+])cc1OC ZINC000423330571 281023735 /nfs/dbraw/zinc/02/37/35/281023735.db2.gz PKXUQEMYPCSVOQ-IJLUTSLNSA-N 2 1 266.385 2.133 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000423402476 281028911 /nfs/dbraw/zinc/02/89/11/281028911.db2.gz XRWSASZYMHISKW-RXFTYZNJSA-N 2 1 282.428 2.229 20 0 CEADMP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000423403340 281029391 /nfs/dbraw/zinc/02/93/91/281029391.db2.gz SAYOUBGRRJDHRO-UHIISALHSA-N 2 1 296.386 2.492 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C1(C)C ZINC000423405601 281031363 /nfs/dbraw/zinc/03/13/63/281031363.db2.gz ZVLIIJWPBBQRBT-RFQIPJPRSA-N 2 1 254.418 2.309 20 0 CEADMP COC[C@@]1(C[NH2+][C@@H]2CCCc3ccccc32)CCC[NH2+]1 ZINC000423415600 281034598 /nfs/dbraw/zinc/03/45/98/281034598.db2.gz DVLKUGMATBLXHO-SJORKVTESA-N 2 1 274.408 2.422 20 0 CEADMP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000423427564 281039122 /nfs/dbraw/zinc/03/91/22/281039122.db2.gz INHUQLDWMSZLMG-RQJABVFESA-N 2 1 298.308 2.380 20 0 CEADMP C[C@@H]([NH2+][C@H]1CSCCc2ccccc21)[C@H](C)[NH3+] ZINC000423439147 281042921 /nfs/dbraw/zinc/04/29/21/281042921.db2.gz HMKPFQGGGNLCLD-WDMOLILDSA-N 2 1 250.411 2.342 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc2c(s1)CCC2 ZINC000423496074 281055414 /nfs/dbraw/zinc/05/54/14/281055414.db2.gz WBEDTUQIVCBTKY-AAEUAGOBSA-N 2 1 280.437 2.266 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000423529181 281062999 /nfs/dbraw/zinc/06/29/99/281062999.db2.gz XFCPQZSUDDLBHA-MSOLQXFVSA-N 2 1 287.451 2.411 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423573737 281066916 /nfs/dbraw/zinc/06/69/16/281066916.db2.gz ZKWUZEREOLOSRV-NJAFHUGGSA-N 2 1 287.451 2.239 20 0 CEADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423732833 281085552 /nfs/dbraw/zinc/08/55/52/281085552.db2.gz TWPSDASRAYWRIO-QMHWVQJVSA-N 2 1 295.471 2.224 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000423767860 281086370 /nfs/dbraw/zinc/08/63/70/281086370.db2.gz ARUFJCQCCCDGFW-CABCVRRESA-N 2 1 295.471 2.225 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000424264433 281140668 /nfs/dbraw/zinc/14/06/68/281140668.db2.gz IKLQXTXUDJDITA-DNDYEEKYSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000424264433 281140671 /nfs/dbraw/zinc/14/06/71/281140671.db2.gz IKLQXTXUDJDITA-DNDYEEKYSA-N 2 1 282.428 2.038 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424379513 281154349 /nfs/dbraw/zinc/15/43/49/281154349.db2.gz VNJSDYPZUPCART-DZOHQFGASA-N 2 1 287.451 2.366 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424379513 281154353 /nfs/dbraw/zinc/15/43/53/281154353.db2.gz VNJSDYPZUPCART-DZOHQFGASA-N 2 1 287.451 2.366 20 0 CEADMP COC1(C[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CCC1 ZINC000429534515 281240513 /nfs/dbraw/zinc/24/05/13/281240513.db2.gz FGNLHMRJOUUOBF-JKSUJKDBSA-N 2 1 298.471 2.161 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOCCOc2ccccc2)C1 ZINC000430613293 281269878 /nfs/dbraw/zinc/26/98/78/281269878.db2.gz VEVQEAMMAAZGAA-MRXNPFEDSA-N 2 1 292.423 2.013 20 0 CEADMP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C[NH3+])CC1 ZINC000430622151 281270400 /nfs/dbraw/zinc/27/04/00/281270400.db2.gz FMTDDRDUPUSAGH-SNVBAGLBSA-N 2 1 266.389 2.099 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000430705451 281274316 /nfs/dbraw/zinc/27/43/16/281274316.db2.gz AMQOFUCLGHXQDQ-WMLDXEAASA-N 2 1 295.471 2.003 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCOc2ccccc2C)C1 ZINC000430925283 281280753 /nfs/dbraw/zinc/28/07/53/281280753.db2.gz CWBOQEWVWUVYBJ-HNNXBMFYSA-N 2 1 262.397 2.305 20 0 CEADMP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C2 ZINC000290231348 281299191 /nfs/dbraw/zinc/29/91/91/281299191.db2.gz RSVKNFRFYNZYTE-FVQBIDKESA-N 2 1 274.408 2.371 20 0 CEADMP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C2 ZINC000290231348 281299193 /nfs/dbraw/zinc/29/91/93/281299193.db2.gz RSVKNFRFYNZYTE-FVQBIDKESA-N 2 1 274.408 2.371 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431748530 281316566 /nfs/dbraw/zinc/31/65/66/281316566.db2.gz HFDDMKPIBUMYQT-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCC[NH+](CCNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000431748530 281316570 /nfs/dbraw/zinc/31/65/70/281316570.db2.gz HFDDMKPIBUMYQT-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCC[NH+](CCNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000431748530 281316572 /nfs/dbraw/zinc/31/65/72/281316572.db2.gz HFDDMKPIBUMYQT-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)[C@H]1CCCSC1 ZINC000433181980 281374350 /nfs/dbraw/zinc/37/43/50/281374350.db2.gz LKEXIBZOSDORII-HNNXBMFYSA-N 2 1 297.468 2.162 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)[C@H]1CCCSC1 ZINC000433181980 281374351 /nfs/dbraw/zinc/37/43/51/281374351.db2.gz LKEXIBZOSDORII-HNNXBMFYSA-N 2 1 297.468 2.162 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435447088 281390239 /nfs/dbraw/zinc/39/02/39/281390239.db2.gz NOHQJFVYORAFBM-ZDUSSCGKSA-N 2 1 278.444 2.119 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435447088 281390241 /nfs/dbraw/zinc/39/02/41/281390241.db2.gz NOHQJFVYORAFBM-ZDUSSCGKSA-N 2 1 278.444 2.119 20 0 CEADMP CCC[N@@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435694488 281392056 /nfs/dbraw/zinc/39/20/56/281392056.db2.gz LHYKWJBMHUSEJW-CQSZACIVSA-N 2 1 276.428 2.257 20 0 CEADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000346565309 281908849 /nfs/dbraw/zinc/90/88/49/281908849.db2.gz QKBJGPDXKFCPTP-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000261691121 282071541 /nfs/dbraw/zinc/07/15/41/282071541.db2.gz IMIPVXUUZZIEQE-KGLIPLIRSA-N 2 1 283.460 2.131 20 0 CEADMP CCc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)o1 ZINC000155144532 288561610 /nfs/dbraw/zinc/56/16/10/288561610.db2.gz GHXHZRRICMDBFP-KGLIPLIRSA-N 2 1 279.428 2.129 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCSC)[C@H](C)C1 ZINC000154762353 289154463 /nfs/dbraw/zinc/15/44/63/289154463.db2.gz RCKRHBKPQHMRSY-KGLIPLIRSA-N 2 1 274.474 2.076 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCn2nc(C)cc2C)[C@H](C)C1 ZINC000156354013 289193954 /nfs/dbraw/zinc/19/39/54/289193954.db2.gz FIMRFRBEYJGPFY-CJNGLKHVSA-N 2 1 278.444 2.210 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCOCC1CCOCC1 ZINC000157483321 289215364 /nfs/dbraw/zinc/21/53/64/289215364.db2.gz RQTZKIJWNZBNKL-HLLBOEOZSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+]1CCCCCC1 ZINC000346195178 289252851 /nfs/dbraw/zinc/25/28/51/289252851.db2.gz VTYIIBUXINHHSF-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCOC[C@H]([NH2+]CCCc1c[nH+]cn1C)C(C)C ZINC000314594041 289283980 /nfs/dbraw/zinc/28/39/80/289283980.db2.gz XERXGDXIQHDARD-AWEZNQCLSA-N 2 1 253.390 2.003 20 0 CEADMP C[C@H]([NH2+][C@H]1CCO[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183188152 290054888 /nfs/dbraw/zinc/05/48/88/290054888.db2.gz RJBPVMUAYJKCCT-NHIYQJMISA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCc2c[nH+]cn2C)C1 ZINC000459380707 290132698 /nfs/dbraw/zinc/13/26/98/290132698.db2.gz QSIXHJYCTGYOKG-BBRMVZONSA-N 2 1 279.428 2.130 20 0 CEADMP COc1ccc(C2([NH2+]CCc3c[nH+]cn3C)CC2)cc1 ZINC000459386887 290133986 /nfs/dbraw/zinc/13/39/86/290133986.db2.gz BURXEWMTZQFOJF-UHFFFAOYSA-N 2 1 271.364 2.250 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCC[C@H]3OCC[C@H]32)CC1 ZINC000459440007 290150081 /nfs/dbraw/zinc/15/00/81/290150081.db2.gz NPDHXUAXSCQPNG-HRCADAONSA-N 2 1 264.413 2.160 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC1CC[NH+](C2CC2)CC1 ZINC000459464165 290156859 /nfs/dbraw/zinc/15/68/59/290156859.db2.gz IDFJBIMZILYYPM-HUUCEWRRSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]C2CC(C(C)(C)C)C2)CC1(C)C ZINC000459530162 290171565 /nfs/dbraw/zinc/17/15/65/290171565.db2.gz MMGTVTUOMKUOGS-UHFFFAOYSA-N 2 1 281.488 2.427 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C(C)C)C1(CO)CCCC1 ZINC000459548853 290175654 /nfs/dbraw/zinc/17/56/54/290175654.db2.gz YOANBZXGZJTFCZ-HNNXBMFYSA-N 2 1 279.428 2.358 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000459656150 290205720 /nfs/dbraw/zinc/20/57/20/290205720.db2.gz FPVUYZXALHROCF-CJNGLKHVSA-N 2 1 272.396 2.154 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOCC(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000353424211 290219213 /nfs/dbraw/zinc/21/92/13/290219213.db2.gz SHMFNOAEJCQRQD-SDDRHHMPSA-N 2 1 280.334 2.028 20 0 CEADMP CC(C)n1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000459729392 290219974 /nfs/dbraw/zinc/21/99/74/290219974.db2.gz JGZFQROWDAWJAL-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1O ZINC000459736750 290221421 /nfs/dbraw/zinc/22/14/21/290221421.db2.gz QTNXDYSINOFYBG-CYBMUJFWSA-N 2 1 278.396 2.222 20 0 CEADMP CC(C)Cn1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000459783968 290238578 /nfs/dbraw/zinc/23/85/78/290238578.db2.gz NPQIFXGKNMSUSI-OAHLLOKOSA-N 2 1 278.444 2.361 20 0 CEADMP C[C@@H](C[N@@H+](C)CC[C@H]1CCC[NH+]1C)C(=O)OC(C)(C)C ZINC000459788949 290240082 /nfs/dbraw/zinc/24/00/82/290240082.db2.gz DIYUFNLISOHGTR-UONOGXRCSA-N 2 1 284.444 2.380 20 0 CEADMP C[C@@H](C[NH+](C)CC[C@H]1CCC[N@@H+]1C)C(=O)OC(C)(C)C ZINC000459788949 290240083 /nfs/dbraw/zinc/24/00/83/290240083.db2.gz DIYUFNLISOHGTR-UONOGXRCSA-N 2 1 284.444 2.380 20 0 CEADMP C[C@@H](C[NH+](C)CC[C@H]1CCC[N@H+]1C)C(=O)OC(C)(C)C ZINC000459788949 290240084 /nfs/dbraw/zinc/24/00/84/290240084.db2.gz DIYUFNLISOHGTR-UONOGXRCSA-N 2 1 284.444 2.380 20 0 CEADMP C[C@@H](CCc1ccccc1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479966583 290311787 /nfs/dbraw/zinc/31/17/87/290311787.db2.gz OQYBSWIRNRHFMX-BHYGNILZSA-N 2 1 258.409 2.407 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000488417724 290396957 /nfs/dbraw/zinc/39/69/57/290396957.db2.gz WSROCANCCMTOQJ-BGTYHANMSA-N 2 1 288.435 2.115 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000488417724 290396959 /nfs/dbraw/zinc/39/69/59/290396959.db2.gz WSROCANCCMTOQJ-BGTYHANMSA-N 2 1 288.435 2.115 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnc(-c2ccccn2)s1)C[NH+](C)C ZINC000491560774 290524905 /nfs/dbraw/zinc/52/49/05/290524905.db2.gz QWNWZHBRRISOEL-LBPRGKRZSA-N 2 1 290.436 2.492 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]CC2([NH+](C)C)CCCC2)cn1 ZINC000414059854 295140285 /nfs/dbraw/zinc/14/02/85/295140285.db2.gz IWSLFQWSGOYIGK-AWEZNQCLSA-N 2 1 291.439 2.485 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000414716560 297252234 /nfs/dbraw/zinc/25/22/34/297252234.db2.gz WWYBILGDQZMMPL-IKGGRYGDSA-N 3 1 279.472 2.325 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000530212456 298051488 /nfs/dbraw/zinc/05/14/88/298051488.db2.gz SEBJCBMXTOGAQS-NVXWUHKLSA-N 2 1 294.414 2.315 20 0 CEADMP CC[C@H]([NH2+]C[C@@]1(C)COc2ccccc2O1)[C@@H]1CCC[NH2+]1 ZINC000530214304 298051811 /nfs/dbraw/zinc/05/18/11/298051811.db2.gz XGWYMYPJBNPDNF-ZQIUZPCESA-N 2 1 290.407 2.337 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C[C@H]1OC ZINC000530216215 298052662 /nfs/dbraw/zinc/05/26/62/298052662.db2.gz OBAFONPPJJEYBR-MGPQQGTHSA-N 2 1 266.429 2.454 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCC[NH+](C)C1 ZINC000531616777 298112987 /nfs/dbraw/zinc/11/29/87/298112987.db2.gz UKQPANVRYJRURS-CVEARBPZSA-N 2 1 267.461 2.134 20 0 CEADMP CN(CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCC[N@H+](C)C1 ZINC000531616777 298112989 /nfs/dbraw/zinc/11/29/89/298112989.db2.gz UKQPANVRYJRURS-CVEARBPZSA-N 2 1 267.461 2.134 20 0 CEADMP CN(CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000531616777 298112991 /nfs/dbraw/zinc/11/29/91/298112991.db2.gz UKQPANVRYJRURS-CVEARBPZSA-N 2 1 267.461 2.134 20 0 CEADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000532441989 298144292 /nfs/dbraw/zinc/14/42/92/298144292.db2.gz VMLCLKNLBBUOAO-DZGCQCFKSA-N 2 1 293.480 2.425 20 0 CEADMP CC(C)C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000534316254 298173132 /nfs/dbraw/zinc/17/31/32/298173132.db2.gz ZOMKNDGHMSNWGQ-CQSZACIVSA-N 2 1 281.469 2.282 20 0 CEADMP C[C@@H](O)CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547505442 298367785 /nfs/dbraw/zinc/36/77/85/298367785.db2.gz PIXFZKNVGHMFEN-INMHGKMJSA-N 2 1 276.424 2.258 20 0 CEADMP COc1cc2c(cc1C[NH2+]C[C@H]1CCC[NH2+]C1)O[C@@H](C)C2 ZINC000563422144 298776497 /nfs/dbraw/zinc/77/64/97/298776497.db2.gz VAFQTPJRSMYYLL-STQMWFEESA-N 2 1 290.407 2.108 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000566476418 298992055 /nfs/dbraw/zinc/99/20/55/298992055.db2.gz XRMJDPOBJKSZLQ-NSHDSACASA-N 2 1 250.390 2.023 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C[C@@H](c2ccccc2)C1 ZINC000347530918 312860927 /nfs/dbraw/zinc/86/09/27/312860927.db2.gz VIZYQZCQLTZULX-LEUOFYLZSA-N 2 1 290.451 2.471 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000514870441 313060284 /nfs/dbraw/zinc/06/02/84/313060284.db2.gz KLPIPFQWUGEVBO-RYQLBKOJSA-N 2 1 290.451 2.425 20 0 CEADMP Cc1cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)ccn1 ZINC000527667882 313193012 /nfs/dbraw/zinc/19/30/12/313193012.db2.gz AYQKKTOJOLABJP-UHFFFAOYSA-N 2 1 291.439 2.369 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CC12CC2 ZINC000527899693 313213957 /nfs/dbraw/zinc/21/39/57/313213957.db2.gz WKRBJSXHEOWCDW-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CC12CC2 ZINC000527899693 313213960 /nfs/dbraw/zinc/21/39/60/313213960.db2.gz WKRBJSXHEOWCDW-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528010826 313225202 /nfs/dbraw/zinc/22/52/02/313225202.db2.gz KBCGVVRQVRYZIH-GOSISDBHSA-N 2 1 291.483 2.467 20 0 CEADMP c1nc(C2CC2)nc2c1C[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC000530233269 313286735 /nfs/dbraw/zinc/28/67/35/313286735.db2.gz WJMPVFXHFWJFRC-UHFFFAOYSA-N 2 1 286.423 2.102 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000567042917 313881629 /nfs/dbraw/zinc/88/16/29/313881629.db2.gz HZSJQEOFMNSEIZ-NUEKZKHPSA-N 2 1 277.412 2.148 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1([NH3+])CCCCC1 ZINC000569802219 314014591 /nfs/dbraw/zinc/01/45/91/314014591.db2.gz IEFGNHHWSHHOOG-CYBMUJFWSA-N 2 1 262.401 2.049 20 0 CEADMP CCC[C@@]1(C)CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000570737676 314055262 /nfs/dbraw/zinc/05/52/62/314055262.db2.gz XCMMSKQKLFWRFJ-CABCVRRESA-N 2 1 256.434 2.201 20 0 CEADMP CCC[C@@]1(C)CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000570737676 314055265 /nfs/dbraw/zinc/05/52/65/314055265.db2.gz XCMMSKQKLFWRFJ-CABCVRRESA-N 2 1 256.434 2.201 20 0 CEADMP CCC[C@@]1(C)CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000570737676 314055268 /nfs/dbraw/zinc/05/52/68/314055268.db2.gz XCMMSKQKLFWRFJ-CABCVRRESA-N 2 1 256.434 2.201 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCCCC(F)(F)C1)C1CC1 ZINC000571198893 314077716 /nfs/dbraw/zinc/07/77/16/314077716.db2.gz DYPKKVNHRKGKOA-GXTWGEPZSA-N 2 1 290.398 2.247 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCCCC(F)(F)C1)C1CC1 ZINC000571198893 314077721 /nfs/dbraw/zinc/07/77/21/314077721.db2.gz DYPKKVNHRKGKOA-GXTWGEPZSA-N 2 1 290.398 2.247 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000572226721 314124611 /nfs/dbraw/zinc/12/46/11/314124611.db2.gz NGBCODWOELVPAC-HRCADAONSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000572226721 314124613 /nfs/dbraw/zinc/12/46/13/314124613.db2.gz NGBCODWOELVPAC-HRCADAONSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000572226721 314124616 /nfs/dbraw/zinc/12/46/16/314124616.db2.gz NGBCODWOELVPAC-HRCADAONSA-N 2 1 268.445 2.201 20 0 CEADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000576271826 314258462 /nfs/dbraw/zinc/25/84/62/314258462.db2.gz KNMFXORNZYJTLK-WMLDXEAASA-N 2 1 274.408 2.027 20 0 CEADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000576271826 314258463 /nfs/dbraw/zinc/25/84/63/314258463.db2.gz KNMFXORNZYJTLK-WMLDXEAASA-N 2 1 274.408 2.027 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000577151729 314346087 /nfs/dbraw/zinc/34/60/87/314346087.db2.gz OCVPYDNHWXKFQC-KLHDSHLOSA-N 2 1 269.477 2.425 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000577151729 314346089 /nfs/dbraw/zinc/34/60/89/314346089.db2.gz OCVPYDNHWXKFQC-KLHDSHLOSA-N 2 1 269.477 2.425 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000577151729 314346091 /nfs/dbraw/zinc/34/60/91/314346091.db2.gz OCVPYDNHWXKFQC-KLHDSHLOSA-N 2 1 269.477 2.425 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1OC ZINC000577228768 314354827 /nfs/dbraw/zinc/35/48/27/314354827.db2.gz LFGASKWHEYAZJH-TZMCWYRMSA-N 2 1 278.396 2.406 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1OC ZINC000577228768 314354829 /nfs/dbraw/zinc/35/48/29/314354829.db2.gz LFGASKWHEYAZJH-TZMCWYRMSA-N 2 1 278.396 2.406 20 0 CEADMP Clc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000577382527 314370900 /nfs/dbraw/zinc/37/09/00/314370900.db2.gz VXQOHQZKCHQACM-XHDPSFHLSA-N 2 1 280.799 2.295 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000577482119 314381568 /nfs/dbraw/zinc/38/15/68/314381568.db2.gz TYJJRKDHGVROIC-GDBMZVCRSA-N 2 1 299.422 2.183 20 0 CEADMP CC(C)n1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000577499419 314383533 /nfs/dbraw/zinc/38/35/33/314383533.db2.gz HNRZSIXWKRBXAK-TZMCWYRMSA-N 2 1 250.390 2.071 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccccc2C)CC1 ZINC000577526412 314387519 /nfs/dbraw/zinc/38/75/19/314387519.db2.gz ASBCPLAYTRSMRY-KRWDZBQOSA-N 2 1 290.451 2.487 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccccc2C)CC1 ZINC000577526412 314387524 /nfs/dbraw/zinc/38/75/24/314387524.db2.gz ASBCPLAYTRSMRY-KRWDZBQOSA-N 2 1 290.451 2.487 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000577624944 314397186 /nfs/dbraw/zinc/39/71/86/314397186.db2.gz ZFNXIIWLQJGMQG-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000577624944 314397188 /nfs/dbraw/zinc/39/71/88/314397188.db2.gz ZFNXIIWLQJGMQG-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000577624944 314397190 /nfs/dbraw/zinc/39/71/90/314397190.db2.gz ZFNXIIWLQJGMQG-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C[NH+]1CCCCC1 ZINC000577858950 314420955 /nfs/dbraw/zinc/42/09/55/314420955.db2.gz FDURGDLRWALHGF-NWDGAFQWSA-N 2 1 282.350 2.011 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000578616978 314497795 /nfs/dbraw/zinc/49/77/95/314497795.db2.gz AEJQKLHCFHURGR-KRWDZBQOSA-N 2 1 284.407 2.350 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@H]1C)[NH+]1CCCC1 ZINC000384638815 321853364 /nfs/dbraw/zinc/85/33/64/321853364.db2.gz SGGLFQSRPXTTSW-CBBWQLFWSA-N 2 1 254.418 2.262 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[NH+]1CCCC1 ZINC000384638814 321853625 /nfs/dbraw/zinc/85/36/25/321853625.db2.gz SGGLFQSRPXTTSW-APIJFGDWSA-N 2 1 254.418 2.262 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)c1cccc(OC)c1 ZINC000580511699 322322067 /nfs/dbraw/zinc/32/20/67/322322067.db2.gz XNOFDUDSROIXKF-HOCLYGCPSA-N 2 1 294.439 2.391 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H](C)c1cccc(OC)c1 ZINC000580511699 322322069 /nfs/dbraw/zinc/32/20/69/322322069.db2.gz XNOFDUDSROIXKF-HOCLYGCPSA-N 2 1 294.439 2.391 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000580511699 322322070 /nfs/dbraw/zinc/32/20/70/322322070.db2.gz XNOFDUDSROIXKF-HOCLYGCPSA-N 2 1 294.439 2.391 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000580511699 322322072 /nfs/dbraw/zinc/32/20/72/322322072.db2.gz XNOFDUDSROIXKF-HOCLYGCPSA-N 2 1 294.439 2.391 20 0 CEADMP Cc1[nH+]ccn1CC[NH+]1CCC(C2CCOCC2)CC1 ZINC000580730037 322339608 /nfs/dbraw/zinc/33/96/08/322339608.db2.gz QDMUFLLIBPIJQN-UHFFFAOYSA-N 2 1 277.412 2.330 20 0 CEADMP C[NH+](C)CCN(C(=O)C[NH+]1CC(C)(C)C1)C1CCCCC1 ZINC000580842247 322349239 /nfs/dbraw/zinc/34/92/39/322349239.db2.gz ZYPBPOOHHGWNKP-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000584047311 326906517 /nfs/dbraw/zinc/90/65/17/326906517.db2.gz JRYMNRKMNVDJSJ-HOTGVXAUSA-N 2 1 287.407 2.173 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC23CCOCC3)CC[N@@H+]1C ZINC000558619001 327108703 /nfs/dbraw/zinc/10/87/03/327108703.db2.gz ZHMHKAGJVSZPMV-RDBSUJKOSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC23CCOCC3)CC[N@H+]1C ZINC000558619001 327108704 /nfs/dbraw/zinc/10/87/04/327108704.db2.gz ZHMHKAGJVSZPMV-RDBSUJKOSA-N 2 1 252.402 2.018 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000366349325 521277595 /nfs/dbraw/zinc/27/75/95/521277595.db2.gz VKRSTLXBNJCYRI-PBHICJAKSA-N 2 1 295.471 2.417 20 0 CEADMP COc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)cc(OC)c1OC ZINC000049551689 522474558 /nfs/dbraw/zinc/47/45/58/522474558.db2.gz MJSHTHMBKIIHBG-LBPRGKRZSA-N 2 1 296.411 2.142 20 0 CEADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154254855 524230494 /nfs/dbraw/zinc/23/04/94/524230494.db2.gz PDGWCRZAIHRRTB-MNOVXSKESA-N 2 1 290.860 2.235 20 0 CEADMP Cc1cccc(NC2CC[NH+](Cc3ccnc(N)c3)CC2)[nH+]1 ZINC000365852296 524670102 /nfs/dbraw/zinc/67/01/02/524670102.db2.gz JCJXIDJEJVNITC-UHFFFAOYSA-N 2 1 297.406 2.274 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)[N@@H+]1CCC[C@H](C)C1 ZINC000155953765 524749849 /nfs/dbraw/zinc/74/98/49/524749849.db2.gz UZKWYAQSTOIALB-ZQDZILKHSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)[N@H+]1CCC[C@H](C)C1 ZINC000155953765 524749858 /nfs/dbraw/zinc/74/98/58/524749858.db2.gz UZKWYAQSTOIALB-ZQDZILKHSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3cnn(C)c3)CC2)[nH+]c1 ZINC000163490222 524943443 /nfs/dbraw/zinc/94/34/43/524943443.db2.gz CASAFDLJOGRPMZ-CQSZACIVSA-N 2 1 299.422 2.443 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccn1C ZINC000363415294 524970882 /nfs/dbraw/zinc/97/08/82/524970882.db2.gz DWQLGIPLILMQCW-HYVNUMGLSA-N 2 1 291.439 2.004 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccn1C ZINC000363415294 524970890 /nfs/dbraw/zinc/97/08/90/524970890.db2.gz DWQLGIPLILMQCW-HYVNUMGLSA-N 2 1 291.439 2.004 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2Cc3ccccc3N(C)C2)CC[N@H+]1C ZINC000364850451 525269903 /nfs/dbraw/zinc/26/99/03/525269903.db2.gz BLKQYJBHCGHFGJ-INMHGKMJSA-N 2 1 287.451 2.367 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000049553219 525596391 /nfs/dbraw/zinc/59/63/91/525596391.db2.gz CZAHHKFWSBGQEO-QWHCGFSZSA-N 2 1 278.396 2.449 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000049556632 525730690 /nfs/dbraw/zinc/73/06/90/525730690.db2.gz VTLAEKVRERZBAS-ZBFHGGJFSA-N 2 1 262.397 2.102 20 0 CEADMP c1cnn(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000363459795 526556030 /nfs/dbraw/zinc/55/60/30/526556030.db2.gz RSHTZSUIEBDRDT-INIZCTEOSA-N 2 1 276.428 2.081 20 0 CEADMP c1cnn(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000363459795 526556036 /nfs/dbraw/zinc/55/60/36/526556036.db2.gz RSHTZSUIEBDRDT-INIZCTEOSA-N 2 1 276.428 2.081 20 0 CEADMP Cn1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000374277324 527217961 /nfs/dbraw/zinc/21/79/61/527217961.db2.gz KSLUALAINVVJHO-SFHVURJKSA-N 2 1 298.434 2.422 20 0 CEADMP Cn1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000374277324 527217965 /nfs/dbraw/zinc/21/79/65/527217965.db2.gz KSLUALAINVVJHO-SFHVURJKSA-N 2 1 298.434 2.422 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000365831845 527397984 /nfs/dbraw/zinc/39/79/84/527397984.db2.gz RWQFPAVGEFVYRC-HNNXBMFYSA-N 2 1 273.384 2.115 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](n2cccn2)C1 ZINC000365831845 527397992 /nfs/dbraw/zinc/39/79/92/527397992.db2.gz RWQFPAVGEFVYRC-HNNXBMFYSA-N 2 1 273.384 2.115 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577655 527430836 /nfs/dbraw/zinc/43/08/36/527430836.db2.gz XOICONXTTYZFOS-UHFFFAOYSA-N 2 1 251.280 2.260 20 0 CEADMP CC(C)CCNC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116396694 527736218 /nfs/dbraw/zinc/73/62/18/527736218.db2.gz WCTVRDMZCYTMCS-HUUCEWRRSA-N 2 1 299.503 2.493 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOC(C)C)[C@H](C)C1 ZINC000175718274 527753907 /nfs/dbraw/zinc/75/39/07/527753907.db2.gz LZCRVCUCDVJVQG-HUUCEWRRSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOC(C)C)[C@H](C)C1 ZINC000175718274 527753911 /nfs/dbraw/zinc/75/39/11/527753911.db2.gz LZCRVCUCDVJVQG-HUUCEWRRSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOC(C)C)[C@H](C)C1 ZINC000175718274 527753916 /nfs/dbraw/zinc/75/39/16/527753916.db2.gz LZCRVCUCDVJVQG-HUUCEWRRSA-N 2 1 256.434 2.464 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC(F)(F)F)[C@H](C)C1 ZINC000175719070 527754358 /nfs/dbraw/zinc/75/43/58/527754358.db2.gz DQSLUKMCHQTCHH-VXGBXAGGSA-N 2 1 282.350 2.227 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC(F)(F)F)[C@H](C)C1 ZINC000175719070 527754361 /nfs/dbraw/zinc/75/43/61/527754361.db2.gz DQSLUKMCHQTCHH-VXGBXAGGSA-N 2 1 282.350 2.227 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC(F)(F)F)[C@H](C)C1 ZINC000175719070 527754366 /nfs/dbraw/zinc/75/43/66/527754366.db2.gz DQSLUKMCHQTCHH-VXGBXAGGSA-N 2 1 282.350 2.227 20 0 CEADMP CCC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352705817 527826856 /nfs/dbraw/zinc/82/68/56/527826856.db2.gz RALOTCCJJJGSKM-UHFFFAOYSA-N 2 1 275.440 2.146 20 0 CEADMP CCn1nncc1C[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000417916413 527846811 /nfs/dbraw/zinc/84/68/11/527846811.db2.gz VXSDRASPVDDUMK-UHFFFAOYSA-N 2 1 287.411 2.040 20 0 CEADMP CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116396135 528048152 /nfs/dbraw/zinc/04/81/52/528048152.db2.gz XRAMXKSZIGNSKB-KGLIPLIRSA-N 2 1 285.476 2.199 20 0 CEADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000357383576 528927373 /nfs/dbraw/zinc/92/73/73/528927373.db2.gz DALXIUCKKQFLIT-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP Cc1ccccc1[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000726071583 574423595 /nfs/dbraw/zinc/42/35/95/574423595.db2.gz NBCNQBVGBFIMHY-IRXDYDNUSA-N 2 1 288.435 2.241 20 0 CEADMP CCCCOC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000728685959 574468423 /nfs/dbraw/zinc/46/84/23/574468423.db2.gz JRGWWUWHGJAIPS-UHFFFAOYSA-N 2 1 284.444 2.382 20 0 CEADMP CCCCOC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000728685959 574468424 /nfs/dbraw/zinc/46/84/24/574468424.db2.gz JRGWWUWHGJAIPS-UHFFFAOYSA-N 2 1 284.444 2.382 20 0 CEADMP Clc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000751502841 574469935 /nfs/dbraw/zinc/46/99/35/574469935.db2.gz IORZEWHRVNZJTG-QWHCGFSZSA-N 2 1 265.788 2.451 20 0 CEADMP Clc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000751502841 574469936 /nfs/dbraw/zinc/46/99/36/574469936.db2.gz IORZEWHRVNZJTG-QWHCGFSZSA-N 2 1 265.788 2.451 20 0 CEADMP CC[C@H](C)[C@H](C)[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729545573 574489327 /nfs/dbraw/zinc/48/93/27/574489327.db2.gz WCTLMVQJBHCTRO-DZKIICNBSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729545573 574489328 /nfs/dbraw/zinc/48/93/28/574489328.db2.gz WCTLMVQJBHCTRO-DZKIICNBSA-N 2 1 268.445 2.342 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CCO)c1cccs1 ZINC000754380796 574581985 /nfs/dbraw/zinc/58/19/85/574581985.db2.gz HIUPQJJAMWZDTE-ZDUSSCGKSA-N 2 1 279.409 2.356 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000732271621 574616896 /nfs/dbraw/zinc/61/68/96/574616896.db2.gz LXSAUEDBLZJSBU-INIZCTEOSA-N 2 1 297.487 2.489 20 0 CEADMP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000734058683 574699586 /nfs/dbraw/zinc/69/95/86/574699586.db2.gz XKSMGVIAAICHBS-FUHWJXTLSA-N 2 1 288.435 2.453 20 0 CEADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000734058683 574699587 /nfs/dbraw/zinc/69/95/87/574699587.db2.gz XKSMGVIAAICHBS-FUHWJXTLSA-N 2 1 288.435 2.453 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nonc2C)CC1 ZINC000734149373 574701447 /nfs/dbraw/zinc/70/14/47/574701447.db2.gz JMOJQWSBTYPYIR-UHFFFAOYSA-N 2 1 280.416 2.322 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nonc2C)CC1 ZINC000734149373 574701448 /nfs/dbraw/zinc/70/14/48/574701448.db2.gz JMOJQWSBTYPYIR-UHFFFAOYSA-N 2 1 280.416 2.322 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000743273453 575045914 /nfs/dbraw/zinc/04/59/14/575045914.db2.gz RAYXDWBBHXBKMM-ARFHVFGLSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000743273453 575045916 /nfs/dbraw/zinc/04/59/16/575045916.db2.gz RAYXDWBBHXBKMM-ARFHVFGLSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccccc2C)C1 ZINC000744424388 575120799 /nfs/dbraw/zinc/12/07/99/575120799.db2.gz VYENRYYWMOPMKR-NVXWUHKLSA-N 2 1 276.424 2.302 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2C)C1 ZINC000744424388 575120800 /nfs/dbraw/zinc/12/08/00/575120800.db2.gz VYENRYYWMOPMKR-NVXWUHKLSA-N 2 1 276.424 2.302 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2C)C1 ZINC000744424388 575120801 /nfs/dbraw/zinc/12/08/01/575120801.db2.gz VYENRYYWMOPMKR-NVXWUHKLSA-N 2 1 276.424 2.302 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000746674910 575162720 /nfs/dbraw/zinc/16/27/20/575162720.db2.gz YNHDQUBOFKPHCL-CJNGLKHVSA-N 2 1 280.387 2.051 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000746674910 575162721 /nfs/dbraw/zinc/16/27/21/575162721.db2.gz YNHDQUBOFKPHCL-CJNGLKHVSA-N 2 1 280.387 2.051 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H](Nc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000749279418 575212202 /nfs/dbraw/zinc/21/22/02/575212202.db2.gz GCTDYQLSSVNFGB-KGLIPLIRSA-N 2 1 289.427 2.362 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H]3CCC(C)(C)CO3)C2)C1 ZINC000878645027 651149660 /nfs/dbraw/zinc/14/96/60/651149660.db2.gz GCWFDZJNTPVAPX-ZBFHGGJFSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3CCC(C)(C)CO3)C2)C1 ZINC000878645027 651149663 /nfs/dbraw/zinc/14/96/63/651149663.db2.gz GCWFDZJNTPVAPX-ZBFHGGJFSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CCC(C)(C)CO3)C2)C1 ZINC000878645027 651149668 /nfs/dbraw/zinc/14/96/68/651149668.db2.gz GCWFDZJNTPVAPX-ZBFHGGJFSA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000971526547 614070276 /nfs/dbraw/zinc/07/02/76/614070276.db2.gz YCKSASTWBUFHIL-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971526547 614070277 /nfs/dbraw/zinc/07/02/77/614070277.db2.gz YCKSASTWBUFHIL-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971526547 614070279 /nfs/dbraw/zinc/07/02/79/614070279.db2.gz YCKSASTWBUFHIL-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000968780320 614086552 /nfs/dbraw/zinc/08/65/52/614086552.db2.gz CTWNCFAZTOAHCJ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000968780320 614086554 /nfs/dbraw/zinc/08/65/54/614086554.db2.gz CTWNCFAZTOAHCJ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)C(C)C)C1 ZINC000971843527 614091775 /nfs/dbraw/zinc/09/17/75/614091775.db2.gz JYNRJZTZMJQYMQ-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)C(C)C)C1 ZINC000971843527 614091776 /nfs/dbraw/zinc/09/17/76/614091776.db2.gz JYNRJZTZMJQYMQ-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC000971843527 614091778 /nfs/dbraw/zinc/09/17/78/614091778.db2.gz JYNRJZTZMJQYMQ-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014406 614632261 /nfs/dbraw/zinc/63/22/61/614632261.db2.gz ZXRBGFWCRRVAEZ-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC)C1 ZINC000960098514 614648259 /nfs/dbraw/zinc/64/82/59/614648259.db2.gz DQZXJMGVHMOVDN-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000960911005 614872660 /nfs/dbraw/zinc/87/26/60/614872660.db2.gz YZPRPGBUCJILRG-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000960911005 614872662 /nfs/dbraw/zinc/87/26/62/614872662.db2.gz YZPRPGBUCJILRG-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000960911005 614872665 /nfs/dbraw/zinc/87/26/65/614872665.db2.gz YZPRPGBUCJILRG-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981338091 614887317 /nfs/dbraw/zinc/88/73/17/614887317.db2.gz SDHOSIDVZMJQBJ-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968782089 614979275 /nfs/dbraw/zinc/97/92/75/614979275.db2.gz SJWWYTUAZJLQQZ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000968782089 614979279 /nfs/dbraw/zinc/97/92/79/614979279.db2.gz SJWWYTUAZJLQQZ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000968782089 614979281 /nfs/dbraw/zinc/97/92/81/614979281.db2.gz SJWWYTUAZJLQQZ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000981363256 615113513 /nfs/dbraw/zinc/11/35/13/615113513.db2.gz GAPIPJNUFIYDKR-ZIAGYGMSSA-N 2 1 292.427 2.043 20 0 CEADMP CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364172 615124344 /nfs/dbraw/zinc/12/43/44/615124344.db2.gz CBIQSDHSSXPVOJ-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364172 615124345 /nfs/dbraw/zinc/12/43/45/615124345.db2.gz CBIQSDHSSXPVOJ-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948364172 615124346 /nfs/dbraw/zinc/12/43/46/615124346.db2.gz CBIQSDHSSXPVOJ-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000974583023 615350887 /nfs/dbraw/zinc/35/08/87/615350887.db2.gz NBLJMLBVHNMFMR-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2(O)CCCCC2)C1 ZINC000177034783 625385732 /nfs/dbraw/zinc/38/57/32/625385732.db2.gz RLUTZEHIDMHVDT-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2(O)CCCCC2)C1 ZINC000177034783 625385742 /nfs/dbraw/zinc/38/57/42/625385742.db2.gz RLUTZEHIDMHVDT-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP CCCCOC(=O)CC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000177059693 625429913 /nfs/dbraw/zinc/42/99/13/625429913.db2.gz HQUZDQBUOCYSHH-ZIAGYGMSSA-N 2 1 270.417 2.134 20 0 CEADMP CCCCOC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177059693 625429923 /nfs/dbraw/zinc/42/99/23/625429923.db2.gz HQUZDQBUOCYSHH-ZIAGYGMSSA-N 2 1 270.417 2.134 20 0 CEADMP CCCCOC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177059693 625429928 /nfs/dbraw/zinc/42/99/28/625429928.db2.gz HQUZDQBUOCYSHH-ZIAGYGMSSA-N 2 1 270.417 2.134 20 0 CEADMP CCCCOC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177059693 625429933 /nfs/dbraw/zinc/42/99/33/625429933.db2.gz HQUZDQBUOCYSHH-ZIAGYGMSSA-N 2 1 270.417 2.134 20 0 CEADMP CS[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000310298729 625450985 /nfs/dbraw/zinc/45/09/85/625450985.db2.gz TVGJBPIQQBZTQP-TZMCWYRMSA-N 2 1 254.443 2.487 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cn2ccnc2s1 ZINC000892446585 625475991 /nfs/dbraw/zinc/47/59/91/625475991.db2.gz KIABMDXOIXBPAQ-UHFFFAOYSA-N 2 1 266.414 2.073 20 0 CEADMP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001024365780 625533153 /nfs/dbraw/zinc/53/31/53/625533153.db2.gz HRMPKIRFTLNEFS-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001024365780 625533157 /nfs/dbraw/zinc/53/31/57/625533157.db2.gz HRMPKIRFTLNEFS-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC ZINC001024468615 625568326 /nfs/dbraw/zinc/56/83/26/625568326.db2.gz LMRFLWAIIQLLIN-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC ZINC001024468615 625568333 /nfs/dbraw/zinc/56/83/33/625568333.db2.gz LMRFLWAIIQLLIN-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC ZINC001024468615 625568342 /nfs/dbraw/zinc/56/83/42/625568342.db2.gz LMRFLWAIIQLLIN-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000394242809 622771743 /nfs/dbraw/zinc/77/17/43/622771743.db2.gz QZFQFCCWFSEZFS-HRCADAONSA-N 2 1 270.461 2.492 20 0 CEADMP CCC1(CC)[C@H]([NH2+]C2CC[NH+](CCOC)CC2)C[C@H]1OC ZINC000090461474 623207771 /nfs/dbraw/zinc/20/77/71/623207771.db2.gz JODWDQKVRIPNEX-HZPDHXFCSA-N 2 1 298.471 2.281 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000050246990 623373270 /nfs/dbraw/zinc/37/32/70/623373270.db2.gz SGJPWQAOAAUFQB-LLVKDONJSA-N 2 1 259.328 2.155 20 0 CEADMP CC(C)(C)C[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000307840151 623487706 /nfs/dbraw/zinc/48/77/06/623487706.db2.gz BEYQKXAYLMTOKQ-CABCVRRESA-N 2 1 268.445 2.201 20 0 CEADMP Cc1ccc(C)c(N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000261910161 623612993 /nfs/dbraw/zinc/61/29/93/623612993.db2.gz XYDHCNHWTWPRTJ-SFHVURJKSA-N 2 1 287.451 2.425 20 0 CEADMP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001022200981 623834228 /nfs/dbraw/zinc/83/42/28/623834228.db2.gz BYMQOJAEUWGUPW-OWCLPIDISA-N 2 1 295.471 2.142 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCOC3(CCCCC3)C2)CC1 ZINC000892116053 624329039 /nfs/dbraw/zinc/32/90/39/624329039.db2.gz YTDZKRWJZACWJO-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@]2(C)Br)C1 ZINC000892142021 624350232 /nfs/dbraw/zinc/35/02/32/624350232.db2.gz BVJTULCJCOSACA-XQQFMLRXSA-N 2 1 289.261 2.434 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C[C@]2(C)Br)C1 ZINC000892142021 624350233 /nfs/dbraw/zinc/35/02/33/624350233.db2.gz BVJTULCJCOSACA-XQQFMLRXSA-N 2 1 289.261 2.434 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@]2(C)Br)C1 ZINC000892142021 624350234 /nfs/dbraw/zinc/35/02/34/624350234.db2.gz BVJTULCJCOSACA-XQQFMLRXSA-N 2 1 289.261 2.434 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262070026 624428386 /nfs/dbraw/zinc/42/83/86/624428386.db2.gz RYSDCVAIRVBKLQ-UHFFFAOYSA-N 2 1 290.455 2.120 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CC2CCC3(CC2)OCCO3)CC[N@@H+]1C ZINC000190204396 624549342 /nfs/dbraw/zinc/54/93/42/624549342.db2.gz ODPRDTCKMXDXBC-GOEBONIOSA-N 2 1 296.455 2.334 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CC2CCC3(CC2)OCCO3)CC[N@H+]1C ZINC000190204396 624549351 /nfs/dbraw/zinc/54/93/51/624549351.db2.gz ODPRDTCKMXDXBC-GOEBONIOSA-N 2 1 296.455 2.334 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CC2CCC3(CC2)OCCO3)CC[NH+]1C ZINC000190204396 624549360 /nfs/dbraw/zinc/54/93/60/624549360.db2.gz ODPRDTCKMXDXBC-GOEBONIOSA-N 2 1 296.455 2.334 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CC2CCC3(CC2)OCCO3)CC[NH+]1C ZINC000190204396 624549365 /nfs/dbraw/zinc/54/93/65/624549365.db2.gz ODPRDTCKMXDXBC-GOEBONIOSA-N 2 1 296.455 2.334 20 0 CEADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(OC)c1 ZINC000262131708 624579819 /nfs/dbraw/zinc/57/98/19/624579819.db2.gz YEZKSMUVNMQFHP-UHFFFAOYSA-N 2 1 290.407 2.279 20 0 CEADMP CSC1(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CCCCC1 ZINC000235105181 624611468 /nfs/dbraw/zinc/61/14/68/624611468.db2.gz FXEOQJWFFBAGHZ-KGLIPLIRSA-N 2 1 286.485 2.409 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000926419235 624613108 /nfs/dbraw/zinc/61/31/08/624613108.db2.gz SENUCLCYHJCAIB-CIDNJEQPSA-N 2 1 266.429 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000926419235 624613112 /nfs/dbraw/zinc/61/31/12/624613112.db2.gz SENUCLCYHJCAIB-CIDNJEQPSA-N 2 1 266.429 2.408 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000161838564 624976749 /nfs/dbraw/zinc/97/67/49/624976749.db2.gz AEIGEQFHYFWVPH-ZIAGYGMSSA-N 2 1 260.381 2.223 20 0 CEADMP CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023364408 624996998 /nfs/dbraw/zinc/99/69/98/624996998.db2.gz KFRLBTDPWIZGJW-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023364408 624996999 /nfs/dbraw/zinc/99/69/99/624996999.db2.gz KFRLBTDPWIZGJW-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001023364408 624997001 /nfs/dbraw/zinc/99/70/01/624997001.db2.gz KFRLBTDPWIZGJW-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCC)C1 ZINC001023402672 625005506 /nfs/dbraw/zinc/00/55/06/625005506.db2.gz QMYUJOLEPRPBOK-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCC)C1 ZINC001023402672 625005512 /nfs/dbraw/zinc/00/55/12/625005512.db2.gz QMYUJOLEPRPBOK-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC)C1 ZINC001023402672 625005516 /nfs/dbraw/zinc/00/55/16/625005516.db2.gz QMYUJOLEPRPBOK-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](C)[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000250348883 625085774 /nfs/dbraw/zinc/08/57/74/625085774.db2.gz IMKNALPPMLFANT-GVDBMIGSSA-N 2 1 275.440 2.396 20 0 CEADMP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccccc1)Cc1ccccc1 ZINC000066242333 625814042 /nfs/dbraw/zinc/81/40/42/625814042.db2.gz XJUWNACZWHMOIE-KRWDZBQOSA-N 2 1 296.418 2.395 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000935626739 625860479 /nfs/dbraw/zinc/86/04/79/625860479.db2.gz ISQOIWWNXKDAKA-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC(C)(O)CC1 ZINC000892520689 625887168 /nfs/dbraw/zinc/88/71/68/625887168.db2.gz CIKISMFGYJJOGF-LRVUVFPRSA-N 2 1 265.401 2.111 20 0 CEADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccco1 ZINC000820806491 634534638 /nfs/dbraw/zinc/53/46/38/634534638.db2.gz JKATXIKYPUIVBR-CHEQUFIKSA-N 2 1 276.380 2.060 20 0 CEADMP C[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000820809987 634535500 /nfs/dbraw/zinc/53/55/00/634535500.db2.gz MGTQZSKFTKLGOI-ZXFUBFMLSA-N 3 1 277.456 2.076 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cnc1F ZINC000892608653 627307710 /nfs/dbraw/zinc/30/77/10/627307710.db2.gz RPMLRMWHTSOMTG-KBPBESRZSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cnc1F ZINC000892608653 627307714 /nfs/dbraw/zinc/30/77/14/627307714.db2.gz RPMLRMWHTSOMTG-KBPBESRZSA-N 2 1 263.360 2.246 20 0 CEADMP C(CN[C@@H]1CCC[N@H+]2CCCC[C@H]12)C[NH+]1CCCCC1 ZINC000924578978 627313182 /nfs/dbraw/zinc/31/31/82/627313182.db2.gz SITNLVARXJMESK-IAGOWNOFSA-N 2 1 279.472 2.469 20 0 CEADMP C(C[NH2+][C@@H]1CCCN2CCCC[C@H]12)C[NH+]1CCCCC1 ZINC000924578978 627313185 /nfs/dbraw/zinc/31/31/85/627313185.db2.gz SITNLVARXJMESK-IAGOWNOFSA-N 2 1 279.472 2.469 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C[NH+]1CCCC1 ZINC000902316315 634580007 /nfs/dbraw/zinc/58/00/07/634580007.db2.gz QEASLEDXCVUEFJ-LSDHHAIUSA-N 3 1 267.461 2.086 20 0 CEADMP CC(C)C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000311661518 627687533 /nfs/dbraw/zinc/68/75/33/627687533.db2.gz GLEDSUJQYNDIKU-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000311661518 627687535 /nfs/dbraw/zinc/68/75/35/627687535.db2.gz GLEDSUJQYNDIKU-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc(N)[nH+]cc2Cl)C1 ZINC000892722176 627725104 /nfs/dbraw/zinc/72/51/04/627725104.db2.gz SUPDMPSOZFPNKV-LLVKDONJSA-N 2 1 282.819 2.485 20 0 CEADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C[NH+]1CCCC1 ZINC000902377177 634607644 /nfs/dbraw/zinc/60/76/44/634607644.db2.gz RXMBSFMVBCKJOA-OAHLLOKOSA-N 3 1 281.488 2.476 20 0 CEADMP CN(C)c1cc[nH+]c(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000926881519 627903279 /nfs/dbraw/zinc/90/32/79/627903279.db2.gz BSGDBLXTGOMMGW-IRXDYDNUSA-N 2 1 288.439 2.254 20 0 CEADMP Cc1cc(N)nc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000893008994 627940396 /nfs/dbraw/zinc/94/03/96/627940396.db2.gz NNVZIIFXLGNMTR-HIFRSBDPSA-N 2 1 283.379 2.225 20 0 CEADMP Cc1cc(N)nc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[nH+]1 ZINC000893008994 627940397 /nfs/dbraw/zinc/94/03/97/627940397.db2.gz NNVZIIFXLGNMTR-HIFRSBDPSA-N 2 1 283.379 2.225 20 0 CEADMP Cc1cc(N)nc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)[nH+]1 ZINC000893008994 627940399 /nfs/dbraw/zinc/94/03/99/627940399.db2.gz NNVZIIFXLGNMTR-HIFRSBDPSA-N 2 1 283.379 2.225 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(c2cc(N)[nH+]cc2Cl)C[C@@H]1C ZINC000893049586 627966537 /nfs/dbraw/zinc/96/65/37/627966537.db2.gz CZDTTXIXZIEZPZ-VHSXEESVSA-N 2 1 268.792 2.236 20 0 CEADMP CCc1noc(C)c1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902388237 634630229 /nfs/dbraw/zinc/63/02/29/634630229.db2.gz OAZZIYSOAOYCPQ-LBPRGKRZSA-N 2 1 265.401 2.413 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902390341 634631023 /nfs/dbraw/zinc/63/10/23/634631023.db2.gz KMAXKSNCMKQCDT-GJZGRUSLSA-N 3 1 267.461 2.086 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+]CC[C@H](C)[S@](C)=O)CC1 ZINC000925549208 628193291 /nfs/dbraw/zinc/19/32/91/628193291.db2.gz KSQJIVWQWNUBDV-LIRRHRJNSA-N 2 1 288.501 2.244 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902400259 634636851 /nfs/dbraw/zinc/63/68/51/634636851.db2.gz ZOOMQIZYMMPUIO-ZIAGYGMSSA-N 2 1 267.461 2.132 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3CSC3)C2)cc1 ZINC000396458601 628227544 /nfs/dbraw/zinc/22/75/44/628227544.db2.gz RNPCFMMNIJLIPP-CQSZACIVSA-N 2 1 262.422 2.214 20 0 CEADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2([NH3+])CC2)cc1OC ZINC000902403775 634640361 /nfs/dbraw/zinc/64/03/61/634640361.db2.gz BGGMWCAIYAJBDA-NWDGAFQWSA-N 2 1 278.396 2.277 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925576657 628253672 /nfs/dbraw/zinc/25/36/72/628253672.db2.gz YHGDYZWMDPDMKH-RBSFLKMASA-N 2 1 267.461 2.356 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925576657 628253676 /nfs/dbraw/zinc/25/36/76/628253676.db2.gz YHGDYZWMDPDMKH-RBSFLKMASA-N 2 1 267.461 2.356 20 0 CEADMP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccccc1 ZINC000925617959 628307802 /nfs/dbraw/zinc/30/78/02/628307802.db2.gz YIVHROZSGDFQRT-HZPDHXFCSA-N 2 1 284.407 2.337 20 0 CEADMP COCC[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccco1 ZINC000925632261 628327573 /nfs/dbraw/zinc/32/75/73/628327573.db2.gz QGLPBBSDRRMRLE-UBHSHLNASA-N 2 1 264.369 2.217 20 0 CEADMP CCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001026549353 628355804 /nfs/dbraw/zinc/35/58/04/628355804.db2.gz LCXXUVQAHGZXRW-FXQLRMTLSA-N 2 1 295.471 2.144 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000902432793 634654520 /nfs/dbraw/zinc/65/45/20/634654520.db2.gz PXMXVSFETSFDQI-JKSUJKDBSA-N 2 1 276.428 2.433 20 0 CEADMP C[N@@H+](CCc1ccncc1)Cc1cccc2c1CC[NH2+]C2 ZINC000123909555 628479209 /nfs/dbraw/zinc/47/92/09/628479209.db2.gz WPFBOBDYRADFQN-UHFFFAOYSA-N 2 1 281.403 2.402 20 0 CEADMP [NH3+]C1(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000902413483 634663423 /nfs/dbraw/zinc/66/34/23/634663423.db2.gz MRJLNUAVZXDYHV-RCCFBDPRSA-N 2 1 299.462 2.368 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925693540 628513937 /nfs/dbraw/zinc/51/39/37/628513937.db2.gz PMNMXPQTZOYERF-GBJTYRQASA-N 2 1 254.418 2.155 20 0 CEADMP C[NH+](C)C1(C)CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000931352657 628537139 /nfs/dbraw/zinc/53/71/39/628537139.db2.gz PCSVGQJYOLOYTA-MRXNPFEDSA-N 2 1 294.414 2.145 20 0 CEADMP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000925701841 628540930 /nfs/dbraw/zinc/54/09/30/628540930.db2.gz GTNFZOWLBRENDW-WMHQRMGPSA-N 3 1 261.413 2.005 20 0 CEADMP C[C@H]([NH3+])[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000925701841 628540933 /nfs/dbraw/zinc/54/09/33/628540933.db2.gz GTNFZOWLBRENDW-WMHQRMGPSA-N 2 1 261.413 2.005 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]C2CC3(C2)COC(C)(C)C3)CC1 ZINC000925705165 628550391 /nfs/dbraw/zinc/55/03/91/628550391.db2.gz IEPVWVGXQHUVLI-UHFFFAOYSA-N 2 1 264.413 2.186 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925708252 628556001 /nfs/dbraw/zinc/55/60/01/628556001.db2.gz RGIKNLRITYOOBL-GVDBMIGSSA-N 2 1 279.472 2.229 20 0 CEADMP CCCN1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925708252 628556002 /nfs/dbraw/zinc/55/60/02/628556002.db2.gz RGIKNLRITYOOBL-GVDBMIGSSA-N 2 1 279.472 2.229 20 0 CEADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)nc1 ZINC000925717631 628580282 /nfs/dbraw/zinc/58/02/82/628580282.db2.gz CBMNWBLGEIKUGH-ZIAGYGMSSA-N 2 1 261.413 2.398 20 0 CEADMP C[C@@H]([NH2+][C@H](c1ccccc1)[C@H](C)[NH3+])C1CC[NH2+]CC1 ZINC000925727781 628647876 /nfs/dbraw/zinc/64/78/76/628647876.db2.gz HXJSLWPSJVLYAH-ZENOOKHLSA-N 3 1 261.413 2.053 20 0 CEADMP CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000162817012 628680559 /nfs/dbraw/zinc/68/05/59/628680559.db2.gz IONDCQSBWJQBSG-HOTGVXAUSA-N 2 1 294.439 2.138 20 0 CEADMP CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000162817012 628680562 /nfs/dbraw/zinc/68/05/62/628680562.db2.gz IONDCQSBWJQBSG-HOTGVXAUSA-N 2 1 294.439 2.138 20 0 CEADMP Cn1nc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1C(F)(F)F ZINC000902456049 634677714 /nfs/dbraw/zinc/67/77/14/634677714.db2.gz NDEBNKSPBKRESE-ONGXEEELSA-N 2 1 290.333 2.046 20 0 CEADMP CC1(C)CC[N@@H+](CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000902456219 634677772 /nfs/dbraw/zinc/67/77/72/634677772.db2.gz NSNWJHPICCAJDZ-OAGGEKHMSA-N 2 1 279.472 2.229 20 0 CEADMP CC1(C)CCN(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000902456219 634677776 /nfs/dbraw/zinc/67/77/76/634677776.db2.gz NSNWJHPICCAJDZ-OAGGEKHMSA-N 2 1 279.472 2.229 20 0 CEADMP CCC1([NH3+])CCN([C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000925757768 628733602 /nfs/dbraw/zinc/73/36/02/628733602.db2.gz JKXKEIMFPAGHKE-RRFJBIMHSA-N 2 1 265.445 2.063 20 0 CEADMP COc1c(C)cnc(C[N@@H+](C)CC2CC[NH2+]CC2)c1C ZINC000094024772 628745086 /nfs/dbraw/zinc/74/50/86/628745086.db2.gz IRNRDERDUCWCTG-UHFFFAOYSA-N 2 1 277.412 2.138 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)[C@@H]1CCC[NH2+]1 ZINC000925771164 628770072 /nfs/dbraw/zinc/77/00/72/628770072.db2.gz ABZQXIHGSFCXOK-MJBXVCDLSA-N 2 1 252.402 2.066 20 0 CEADMP Cc1nc(N[C@@H](C)C[NH3+])cc(Nc2ccccc2)[nH+]1 ZINC000258813194 628771716 /nfs/dbraw/zinc/77/17/16/628771716.db2.gz VANYUAXFHUNKAF-JTQLQIEISA-N 2 1 257.341 2.288 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(CC)CC ZINC000902471004 634687610 /nfs/dbraw/zinc/68/76/10/634687610.db2.gz IWNUZJNMEZAXAU-NJVJYBDUSA-N 2 1 266.429 2.453 20 0 CEADMP C[C@@H](Cc1cccs1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925792355 628839230 /nfs/dbraw/zinc/83/92/30/628839230.db2.gz GDJYBVCDHODKPI-KBPBESRZSA-N 2 1 294.464 2.427 20 0 CEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C/C=C/Cl)[C@@H](C)C1 ZINC000249285283 628841671 /nfs/dbraw/zinc/84/16/71/628841671.db2.gz LLRBXRUJCNSOLT-SZBGIYDQSA-N 2 1 274.836 2.466 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C/Cl)[C@@H](C)C1 ZINC000249285283 628841675 /nfs/dbraw/zinc/84/16/75/628841675.db2.gz LLRBXRUJCNSOLT-SZBGIYDQSA-N 2 1 274.836 2.466 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000902491438 634688476 /nfs/dbraw/zinc/68/84/76/634688476.db2.gz XVKISGZRKDNCMC-NRSFXHEJSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000902491438 634688479 /nfs/dbraw/zinc/68/84/79/634688479.db2.gz XVKISGZRKDNCMC-NRSFXHEJSA-N 3 1 287.451 2.366 20 0 CEADMP CSC1CCC(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000925803214 628852001 /nfs/dbraw/zinc/85/20/01/628852001.db2.gz WCSCROKQFXTETN-RYSNWHEDSA-N 2 1 256.459 2.496 20 0 CEADMP FC(F)(F)SCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310199619 628870949 /nfs/dbraw/zinc/87/09/49/628870949.db2.gz BPYOGUMJIOKLTO-UHFFFAOYSA-N 2 1 268.348 2.456 20 0 CEADMP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC[C@@H]2N)CC1 ZINC000925825192 628896427 /nfs/dbraw/zinc/89/64/27/628896427.db2.gz XUYAXVWBAJLXNH-PWUWZPNHSA-N 2 1 265.445 2.253 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842227 628945600 /nfs/dbraw/zinc/94/56/00/628945600.db2.gz YSKVMTVJIQXDNX-CSMYWGQOSA-N 2 1 288.439 2.032 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH2+]CCCCC[NH+]2CCNCC2)[C@H]1C ZINC000925846900 628950247 /nfs/dbraw/zinc/95/02/47/628950247.db2.gz YEPQFJKBBXRLRN-IXDOHACOSA-N 2 1 281.488 2.476 20 0 CEADMP CC[C@@H]([NH2+]CCNc1ccc(C)cn1)[C@@H]1CCCC[NH2+]1 ZINC000925877060 628976529 /nfs/dbraw/zinc/97/65/29/628976529.db2.gz DUXVPTAUULHMHJ-CABCVRRESA-N 2 1 276.428 2.312 20 0 CEADMP CCc1onc(C)c1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000925889545 628985283 /nfs/dbraw/zinc/98/52/83/628985283.db2.gz KROLOXZTCQDNFP-JQWIXIFHSA-N 2 1 251.374 2.023 20 0 CEADMP CCc1onc(C)c1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000925889549 628985436 /nfs/dbraw/zinc/98/54/36/628985436.db2.gz KROLOXZTCQDNFP-ZYHUDNBSSA-N 2 1 251.374 2.023 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858115707 629062635 /nfs/dbraw/zinc/06/26/35/629062635.db2.gz FXFPGFSJSFUPPG-ZDUSSCGKSA-N 2 1 251.349 2.042 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858115707 629062637 /nfs/dbraw/zinc/06/26/37/629062637.db2.gz FXFPGFSJSFUPPG-ZDUSSCGKSA-N 2 1 251.349 2.042 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000894124789 629152070 /nfs/dbraw/zinc/15/20/70/629152070.db2.gz OTLNAKAPDTWKHS-CQSZACIVSA-N 2 1 254.418 2.075 20 0 CEADMP Cc1ccnc(N)c1CNCC[N@H+](C)C1CCCCC1 ZINC000894206703 629214457 /nfs/dbraw/zinc/21/44/57/629214457.db2.gz KYTREFJYANCSAE-UHFFFAOYSA-N 2 1 276.428 2.326 20 0 CEADMP C[N@@H+](CCNC(=O)[C@H]([NH3+])CC1CCCCC1)C1CCCC1 ZINC000261800888 629246345 /nfs/dbraw/zinc/24/63/45/629246345.db2.gz YPVOUZOZVXPALE-MRXNPFEDSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCCOC1 ZINC000679574333 629246672 /nfs/dbraw/zinc/24/66/72/629246672.db2.gz HKQWBHXWXWLCEI-ZMSDIMECSA-N 2 1 296.455 2.035 20 0 CEADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000925009488 629349553 /nfs/dbraw/zinc/34/95/53/629349553.db2.gz HNEDZYWEQNKZQH-HYVNUMGLSA-N 2 1 290.455 2.063 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925023639 629371219 /nfs/dbraw/zinc/37/12/19/629371219.db2.gz NPGXNDDEAAFNAZ-YVSFHVDLSA-N 2 1 278.440 2.168 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c(c3)COC4)C2)C1 ZINC000795317958 629514860 /nfs/dbraw/zinc/51/48/60/629514860.db2.gz WYZNTBNSALMARN-QGZVFWFLSA-N 2 1 272.392 2.244 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c(c3)COC4)C2)C1 ZINC000795317958 629514867 /nfs/dbraw/zinc/51/48/67/629514867.db2.gz WYZNTBNSALMARN-QGZVFWFLSA-N 2 1 272.392 2.244 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)COC4)C2)C1 ZINC000795317958 629514872 /nfs/dbraw/zinc/51/48/72/629514872.db2.gz WYZNTBNSALMARN-QGZVFWFLSA-N 2 1 272.392 2.244 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)COC4)C2)C1 ZINC000795317958 629514877 /nfs/dbraw/zinc/51/48/77/629514877.db2.gz WYZNTBNSALMARN-QGZVFWFLSA-N 2 1 272.392 2.244 20 0 CEADMP CCC[C@H](C)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203318 629543567 /nfs/dbraw/zinc/54/35/67/629543567.db2.gz ADLGWSMYONTHGJ-ZFWWWQNUSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[C@H](C)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203318 629543571 /nfs/dbraw/zinc/54/35/71/629543571.db2.gz ADLGWSMYONTHGJ-ZFWWWQNUSA-N 2 1 254.418 2.408 20 0 CEADMP CNc1ccc(C)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000902622041 634749668 /nfs/dbraw/zinc/74/96/68/634749668.db2.gz VRROVSCOEXSLBR-UHFFFAOYSA-N 2 1 258.369 2.103 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C2(C3CC3)CC2)s1 ZINC000796324234 629847948 /nfs/dbraw/zinc/84/79/48/629847948.db2.gz RDLAKDKYKWYSCB-UHFFFAOYSA-N 2 1 251.399 2.237 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000909440344 629866586 /nfs/dbraw/zinc/86/65/86/629866586.db2.gz UEOMTVRVGJHEGA-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000909440344 629866592 /nfs/dbraw/zinc/86/65/92/629866592.db2.gz UEOMTVRVGJHEGA-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000909440344 629866599 /nfs/dbraw/zinc/86/65/99/629866599.db2.gz UEOMTVRVGJHEGA-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1cccc2ncc(C[NH2+]CC[C@H](C)[NH+](C)C)n21 ZINC000895298172 630086376 /nfs/dbraw/zinc/08/63/76/630086376.db2.gz STGNUWPOQRRMJU-LBPRGKRZSA-N 2 1 260.385 2.073 20 0 CEADMP Cc1ncoc1CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895359459 630138057 /nfs/dbraw/zinc/13/80/57/630138057.db2.gz FPSLUFFJSFAEDS-CQSZACIVSA-N 2 1 263.385 2.195 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000895360826 630138421 /nfs/dbraw/zinc/13/84/21/630138421.db2.gz VOLQDFNDSFNVHP-HNNXBMFYSA-N 2 1 288.439 2.184 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895360826 630138428 /nfs/dbraw/zinc/13/84/28/630138428.db2.gz VOLQDFNDSFNVHP-HNNXBMFYSA-N 2 1 288.439 2.184 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000895509922 630228348 /nfs/dbraw/zinc/22/83/48/630228348.db2.gz YCAYPQIYTUEUNI-RDJZCZTQSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@@H](CN(C)C)[C@@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000895509922 630228351 /nfs/dbraw/zinc/22/83/51/630228351.db2.gz YCAYPQIYTUEUNI-RDJZCZTQSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@@H](CN(C)C)[C@@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000895509922 630228354 /nfs/dbraw/zinc/22/83/54/630228354.db2.gz YCAYPQIYTUEUNI-RDJZCZTQSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccn(C)c2)CCN1c1cc[nH+]cc1 ZINC000895556006 630247726 /nfs/dbraw/zinc/24/77/26/630247726.db2.gz DNTMLONULJHECP-AWEZNQCLSA-N 2 1 270.380 2.131 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[C@H]2CCO2)CCN1c1cc[nH+]cc1 ZINC000895557414 630248158 /nfs/dbraw/zinc/24/81/58/630248158.db2.gz PJIOSQHJDONGEV-ZBFHGGJFSA-N 2 1 275.396 2.161 20 0 CEADMP C=Cn1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cn1 ZINC000895557935 630248709 /nfs/dbraw/zinc/24/87/09/630248709.db2.gz SXJOUPIBQKOCKI-CQSZACIVSA-N 2 1 283.379 2.089 20 0 CEADMP C=Cn1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cn1 ZINC000895557935 630248711 /nfs/dbraw/zinc/24/87/11/630248711.db2.gz SXJOUPIBQKOCKI-CQSZACIVSA-N 2 1 283.379 2.089 20 0 CEADMP CC[C@](C)(C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)OC ZINC000895558581 630249461 /nfs/dbraw/zinc/24/94/61/630249461.db2.gz YIYFUNZFENHYML-GOEBONIOSA-N 2 1 277.412 2.407 20 0 CEADMP Cc1cc(F)ncc1CNC[C@H]1CCCC[N@H+](C)C1 ZINC000895587211 630261854 /nfs/dbraw/zinc/26/18/54/630261854.db2.gz LJMBJSNLUPTTAQ-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000895587211 630261856 /nfs/dbraw/zinc/26/18/56/630261856.db2.gz LJMBJSNLUPTTAQ-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000895587211 630261857 /nfs/dbraw/zinc/26/18/57/630261857.db2.gz LJMBJSNLUPTTAQ-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000895601858 630266761 /nfs/dbraw/zinc/26/67/61/630266761.db2.gz QRBAVFSWECBQGM-INIZCTEOSA-N 2 1 287.407 2.315 20 0 CEADMP COc1cc2cc[nH+]c(NC[C@H]3CC[N@@H+]3C)c2cc1OC ZINC000895769291 630338152 /nfs/dbraw/zinc/33/81/52/630338152.db2.gz RCJNPHVOODINKJ-GFCCVEGCSA-N 2 1 287.363 2.368 20 0 CEADMP COc1cc2cc[nH+]c(NC[C@H]3CC[N@H+]3C)c2cc1OC ZINC000895769291 630338156 /nfs/dbraw/zinc/33/81/56/630338156.db2.gz RCJNPHVOODINKJ-GFCCVEGCSA-N 2 1 287.363 2.368 20 0 CEADMP CCC1([NH+]2CCC2)CC[NH+](CC2=CCCOC2)CC1 ZINC000895827469 630358120 /nfs/dbraw/zinc/35/81/20/630358120.db2.gz KUORUDGQCLCDES-UHFFFAOYSA-N 2 1 264.413 2.283 20 0 CEADMP COC1CCC(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CC1 ZINC000895843235 630366526 /nfs/dbraw/zinc/36/65/26/630366526.db2.gz OGAUMJKCPZBCQY-KNIAUWFNSA-N 2 1 266.429 2.218 20 0 CEADMP COC1CCC(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CC1 ZINC000895843235 630366530 /nfs/dbraw/zinc/36/65/30/630366530.db2.gz OGAUMJKCPZBCQY-KNIAUWFNSA-N 2 1 266.429 2.218 20 0 CEADMP COC1CCC(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000895843235 630366533 /nfs/dbraw/zinc/36/65/33/630366533.db2.gz OGAUMJKCPZBCQY-KNIAUWFNSA-N 2 1 266.429 2.218 20 0 CEADMP COC1CCC(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000895843235 630366536 /nfs/dbraw/zinc/36/65/36/630366536.db2.gz OGAUMJKCPZBCQY-KNIAUWFNSA-N 2 1 266.429 2.218 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@@]3(C)Br)CC[C@@H]21 ZINC000895843211 630367092 /nfs/dbraw/zinc/36/70/92/630367092.db2.gz NXPFFDBCHVMGPF-MROQNXINSA-N 2 1 287.245 2.186 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@@]3(C)Br)CC[C@@H]21 ZINC000895843211 630367095 /nfs/dbraw/zinc/36/70/95/630367095.db2.gz NXPFFDBCHVMGPF-MROQNXINSA-N 2 1 287.245 2.186 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3C[C@@]3(C)Br)CC[C@@H]21 ZINC000895843211 630367098 /nfs/dbraw/zinc/36/70/98/630367098.db2.gz NXPFFDBCHVMGPF-MROQNXINSA-N 2 1 287.245 2.186 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3C[C@@]3(C)Br)CC[C@@H]21 ZINC000895843211 630367100 /nfs/dbraw/zinc/36/71/00/630367100.db2.gz NXPFFDBCHVMGPF-MROQNXINSA-N 2 1 287.245 2.186 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000895855172 630377807 /nfs/dbraw/zinc/37/78/07/630377807.db2.gz ORVMYIMTJVRABO-KFWWJZLASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000895855172 630377811 /nfs/dbraw/zinc/37/78/11/630377811.db2.gz ORVMYIMTJVRABO-KFWWJZLASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000895855172 630377815 /nfs/dbraw/zinc/37/78/15/630377815.db2.gz ORVMYIMTJVRABO-KFWWJZLASA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902779736 634824315 /nfs/dbraw/zinc/82/43/15/634824315.db2.gz ZVRDMUQVGWLOCA-NQLMQOPMSA-N 2 1 278.440 2.121 20 0 CEADMP C[C@@H]1CC[C@H](CN)[N@@H+](CCCCCCC[NH3+])[C@H]1C ZINC000883445792 630610695 /nfs/dbraw/zinc/61/06/95/630610695.db2.gz LHEMXJMUXKGDNS-QLFBSQMISA-N 2 1 255.450 2.343 20 0 CEADMP COc1ccsc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903977051 635395214 /nfs/dbraw/zinc/39/52/14/635395214.db2.gz HSAGEZZHVAQCQQ-GHMZBOCLSA-N 2 1 254.399 2.173 20 0 CEADMP CC[C@H]1C[C@H](C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)CCO1 ZINC000903977530 635395227 /nfs/dbraw/zinc/39/52/27/635395227.db2.gz SBCKBEUJTABFGX-TUVASFSCSA-N 2 1 254.418 2.108 20 0 CEADMP CCO[C@H](C[NH2+]C[C@H](C)c1ccccc1)C[NH+](C)C ZINC000896880307 630699533 /nfs/dbraw/zinc/69/95/33/630699533.db2.gz UGSLLSGOGRFPAG-GOEBONIOSA-N 2 1 264.413 2.346 20 0 CEADMP Cn1ncc(Cl)c1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956860 630957059 /nfs/dbraw/zinc/95/70/59/630957059.db2.gz FADYLMINSVJKSF-UHFFFAOYSA-N 2 1 296.846 2.381 20 0 CEADMP Cn1ncc(Cl)c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956860 630957061 /nfs/dbraw/zinc/95/70/61/630957061.db2.gz FADYLMINSVJKSF-UHFFFAOYSA-N 2 1 296.846 2.381 20 0 CEADMP COc1ccc2c(c1)CCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904316834 635564995 /nfs/dbraw/zinc/56/49/95/635564995.db2.gz USMXXTITFCXZAP-JNSHFYNHSA-N 2 1 260.381 2.181 20 0 CEADMP COC1CCC([N@@H+](C)C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904321652 635567992 /nfs/dbraw/zinc/56/79/92/635567992.db2.gz AXQPBGTUVVUPSD-YMAMQOFZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](CCO)Cc2ccccc2)CC1 ZINC000799728184 631071931 /nfs/dbraw/zinc/07/19/31/631071931.db2.gz HOXBYXJWTWGIFI-KRWDZBQOSA-N 2 1 276.424 2.054 20 0 CEADMP CCC[N@@H+](CC)CCN[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000925204669 631173461 /nfs/dbraw/zinc/17/34/61/631173461.db2.gz NFFOTZVQQWQNAU-HOTGVXAUSA-N 2 1 267.461 2.325 20 0 CEADMP CCC[NH+](CC)CCN[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925204669 631173463 /nfs/dbraw/zinc/17/34/63/631173463.db2.gz NFFOTZVQQWQNAU-HOTGVXAUSA-N 2 1 267.461 2.325 20 0 CEADMP CCC[NH+](CC)CCN[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925204669 631173466 /nfs/dbraw/zinc/17/34/66/631173466.db2.gz NFFOTZVQQWQNAU-HOTGVXAUSA-N 2 1 267.461 2.325 20 0 CEADMP C[C@@H]1Cc2cc(CN3C[C@@H]4C[N@@H+](C)C[C@]4(C)C3)ccc2O1 ZINC000897620746 631832802 /nfs/dbraw/zinc/83/28/02/631832802.db2.gz YHWGUWZGLUCDRV-RPVQJOFSSA-N 2 1 286.419 2.394 20 0 CEADMP C[C@@H]1Cc2cc(C[N@@H+]3C[C@@H]4C[NH+](C)C[C@]4(C)C3)ccc2O1 ZINC000897620746 631832817 /nfs/dbraw/zinc/83/28/17/631832817.db2.gz YHWGUWZGLUCDRV-RPVQJOFSSA-N 2 1 286.419 2.394 20 0 CEADMP C[C@@H]1Cc2cc(C[N@H+]3C[C@@H]4C[NH+](C)C[C@]4(C)C3)ccc2O1 ZINC000897620746 631832825 /nfs/dbraw/zinc/83/28/25/631832825.db2.gz YHWGUWZGLUCDRV-RPVQJOFSSA-N 2 1 286.419 2.394 20 0 CEADMP C[C@@H]1Cc2cc(C[NH+]3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)ccc2O1 ZINC000897620746 631832831 /nfs/dbraw/zinc/83/28/31/631832831.db2.gz YHWGUWZGLUCDRV-RPVQJOFSSA-N 2 1 286.419 2.394 20 0 CEADMP C[C@H]1CC2(CC([NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)C2)CO1 ZINC000897776893 631904983 /nfs/dbraw/zinc/90/49/83/631904983.db2.gz YTYYZZVMQJDJFW-RNDNHVFHSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)C(=O)CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000808716077 632005920 /nfs/dbraw/zinc/00/59/20/632005920.db2.gz QZOMCYPPMUMWDZ-UHFFFAOYSA-N 2 1 296.455 2.036 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3nonc3c2)CC1(C)C ZINC000897990881 632008258 /nfs/dbraw/zinc/00/82/58/632008258.db2.gz ZKXUQXRHSYVAOC-LBPRGKRZSA-N 2 1 274.368 2.185 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3nonc3c2)CC1(C)C ZINC000897990881 632008266 /nfs/dbraw/zinc/00/82/66/632008266.db2.gz ZKXUQXRHSYVAOC-LBPRGKRZSA-N 2 1 274.368 2.185 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@]12C[C@H]1COC21CCC1 ZINC000898063275 632039617 /nfs/dbraw/zinc/03/96/17/632039617.db2.gz WMWSWIKPMLYEAJ-XJKSGUPXSA-N 2 1 276.424 2.162 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CCO)cc2)CC1(C)C ZINC000898169800 632078985 /nfs/dbraw/zinc/07/89/85/632078985.db2.gz OTULYTHCLNQHJC-MRXNPFEDSA-N 2 1 276.424 2.184 20 0 CEADMP Cc1ncccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000898250010 632122320 /nfs/dbraw/zinc/12/23/20/632122320.db2.gz JXRKZNQZUNARHN-MQVJKMGUSA-N 2 1 259.397 2.147 20 0 CEADMP O=C(O[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c[nH+]cn2c1 ZINC000810838896 632284313 /nfs/dbraw/zinc/28/43/13/632284313.db2.gz SMGQNFVZSSNAHG-DZGCQCFKSA-N 2 1 285.347 2.118 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2)C[NH+](C)C ZINC000926961031 632387918 /nfs/dbraw/zinc/38/79/18/632387918.db2.gz OAQLBFYZVWSIJE-BZUAXINKSA-N 2 1 298.471 2.281 20 0 CEADMP Fc1ccc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000811468474 632388473 /nfs/dbraw/zinc/38/84/73/632388473.db2.gz SQUPYHPHOZBPGX-RYUDHWBXSA-N 2 1 268.763 2.173 20 0 CEADMP CCO[C@H](C[NH2+][C@H](C)Cc1ccccc1OC)C[NH+](C)C ZINC000926961962 632389466 /nfs/dbraw/zinc/38/94/66/632389466.db2.gz KXPYPUHRFYTAQV-GDBMZVCRSA-N 2 1 294.439 2.183 20 0 CEADMP CCO[C@@H](C[NH2+][C@H](C)Cc1cccc(F)c1)C[NH+](C)C ZINC000926962800 632390147 /nfs/dbraw/zinc/39/01/47/632390147.db2.gz MYUPPIHQNOLOFY-CJNGLKHVSA-N 2 1 282.403 2.313 20 0 CEADMP CCO[C@H](C[NH2+]C1CCC2(CCOCC2)CC1)C[NH+](C)C ZINC000926965679 632394792 /nfs/dbraw/zinc/39/47/92/632394792.db2.gz RYVNYDOUGIMRLT-MRXNPFEDSA-N 2 1 298.471 2.282 20 0 CEADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000924694770 632425725 /nfs/dbraw/zinc/42/57/25/632425725.db2.gz HAFGJLOUMVWFHC-FZKCQIBNSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H](NC(=[NH2+])NCCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000899263521 632767003 /nfs/dbraw/zinc/76/70/03/632767003.db2.gz BCQJLEOKDJJKKY-OLZOCXBDSA-N 2 1 266.433 2.163 20 0 CEADMP C[C@H](NC(=[NH2+])NC[C@@H]1[N@@H+](C)CCCC1(C)C)C1CC1 ZINC000899271863 632769067 /nfs/dbraw/zinc/76/90/67/632769067.db2.gz QVMXSCZYIRONSA-AAEUAGOBSA-N 2 1 266.433 2.019 20 0 CEADMP Cc1cccc2c1[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000924754759 632793296 /nfs/dbraw/zinc/79/32/96/632793296.db2.gz GWUSYIPZTGBODS-HOTGVXAUSA-N 2 1 274.408 2.029 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCCCn3cccn3)C2)C1 ZINC000815144357 632970874 /nfs/dbraw/zinc/97/08/74/632970874.db2.gz GOIBQNOVFIGONJ-KRWDZBQOSA-N 2 1 290.455 2.471 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCCCn3cccn3)C2)C1 ZINC000815144357 632970876 /nfs/dbraw/zinc/97/08/76/632970876.db2.gz GOIBQNOVFIGONJ-KRWDZBQOSA-N 2 1 290.455 2.471 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CC1)OCCCO2 ZINC000815155744 632974008 /nfs/dbraw/zinc/97/40/08/632974008.db2.gz WOHQZDDMAZZGFR-OAHLLOKOSA-N 2 1 282.428 2.090 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CC1)OCCCO2 ZINC000815155744 632974012 /nfs/dbraw/zinc/97/40/12/632974012.db2.gz WOHQZDDMAZZGFR-OAHLLOKOSA-N 2 1 282.428 2.090 20 0 CEADMP Cc1nc(N[C@@H]2Cc3ccccc3[C@H]2[NH3+])c(C)c(C)[nH+]1 ZINC000900021151 633185424 /nfs/dbraw/zinc/18/54/24/633185424.db2.gz SXZVDKPQMUHKMI-HUUCEWRRSA-N 2 1 268.364 2.438 20 0 CEADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+](C)C ZINC000900429562 633718688 /nfs/dbraw/zinc/71/86/88/633718688.db2.gz PWAUZQGXXBGQET-QXSJWSMHSA-N 2 1 295.471 2.190 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000817891049 633752698 /nfs/dbraw/zinc/75/26/98/633752698.db2.gz FCXQCSSCTGPITN-RYUDHWBXSA-N 2 1 253.777 2.485 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1c[nH+]ccc1N ZINC000817890772 633753572 /nfs/dbraw/zinc/75/35/72/633753572.db2.gz YRZGTQCDJJCLBP-BMIGLBTASA-N 2 1 275.327 2.017 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000817891898 633754897 /nfs/dbraw/zinc/75/48/97/633754897.db2.gz PKNYLEXTXYHWPS-IIAWOOMASA-N 2 1 274.408 2.358 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000817894467 633756945 /nfs/dbraw/zinc/75/69/45/633756945.db2.gz ZLJTUDPRMAXTFT-LRDDRELGSA-N 2 1 271.364 2.187 20 0 CEADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000817904656 633764969 /nfs/dbraw/zinc/76/49/69/633764969.db2.gz FSMQSBNLNHIGML-KNPMLCFXSA-N 2 1 280.387 2.368 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000817912658 633771023 /nfs/dbraw/zinc/77/10/23/633771023.db2.gz KZBPUYLGSCQHGT-SUNKGSAMSA-N 2 1 275.352 2.250 20 0 CEADMP C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1c[nH+]ccc1N ZINC000817923547 633780684 /nfs/dbraw/zinc/78/06/84/633780684.db2.gz BJXAQNQMOILWJF-CXAGYDPISA-N 2 1 285.391 2.443 20 0 CEADMP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900585953 633782306 /nfs/dbraw/zinc/78/23/06/633782306.db2.gz DWFZHADTFHQQEM-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)c1ccc(C2(O)CCC([NH2+]CC[NH3+])CC2)cc1 ZINC000817934702 633786360 /nfs/dbraw/zinc/78/63/60/633786360.db2.gz NJCFOZAVORUGMF-UHFFFAOYSA-N 2 1 276.424 2.489 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)cnc1Cl ZINC000817933855 633786435 /nfs/dbraw/zinc/78/64/35/633786435.db2.gz VHRLFIJPJNKOES-CABZTGNLSA-N 2 1 271.767 2.481 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(Br)nc1 ZINC000817970377 633813706 /nfs/dbraw/zinc/81/37/06/633813706.db2.gz SUZMRHSRGXTSAT-NHCYSSNCSA-N 2 1 298.228 2.493 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)nc1 ZINC000817971442 633816153 /nfs/dbraw/zinc/81/61/53/633816153.db2.gz NBPIKPNDJIUFMH-SCVCMEIPSA-N 2 1 253.777 2.384 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000817977926 633821401 /nfs/dbraw/zinc/82/14/01/633821401.db2.gz RRPQNINTYNBKDV-SRVKXCTJSA-N 2 1 277.368 2.030 20 0 CEADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000818986790 634030879 /nfs/dbraw/zinc/03/08/79/634030879.db2.gz APCPJHBYPHZBLB-XJKSGUPXSA-N 2 1 294.464 2.321 20 0 CEADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000818986790 634030883 /nfs/dbraw/zinc/03/08/83/634030883.db2.gz APCPJHBYPHZBLB-XJKSGUPXSA-N 2 1 294.464 2.321 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000819061946 634056690 /nfs/dbraw/zinc/05/66/90/634056690.db2.gz YKXDCTIHYQUHFF-HZMBPMFUSA-N 2 1 288.794 2.442 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)C1=CC[N@@H+](C)CC1 ZINC000819219727 634108417 /nfs/dbraw/zinc/10/84/17/634108417.db2.gz GMMCPNWGYBHBQH-IAQYHMDHSA-N 2 1 296.361 2.238 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2cccc(F)c2)C1 ZINC000819366144 634156784 /nfs/dbraw/zinc/15/67/84/634156784.db2.gz KALABCLOSYBNHI-CZUORRHYSA-N 2 1 280.387 2.181 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2cc(F)ccc2F)C1 ZINC000819366290 634157515 /nfs/dbraw/zinc/15/75/15/634157515.db2.gz MSWWAOHSRYNHNR-WBMJQRKESA-N 2 1 298.377 2.320 20 0 CEADMP CCC(O)(CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903083619 634960969 /nfs/dbraw/zinc/96/09/69/634960969.db2.gz KHUGLYVJRSSJMG-LQDVMPOASA-N 2 1 266.429 2.285 20 0 CEADMP CC(C)C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903083781 634961179 /nfs/dbraw/zinc/96/11/79/634961179.db2.gz NIMXKRLOTMDEKN-YPAMNDHTSA-N 2 1 266.429 2.141 20 0 CEADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@]12C[C@@H]1CCCC2 ZINC000903161400 634994029 /nfs/dbraw/zinc/99/40/29/634994029.db2.gz HDFARSNPNCJHPZ-BHYGNILZSA-N 2 1 278.440 2.410 20 0 CEADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)OC ZINC000903172624 634998420 /nfs/dbraw/zinc/99/84/20/634998420.db2.gz SYAZEMPMDYMJKO-CHEQUFIKSA-N 2 1 252.402 2.159 20 0 CEADMP OC[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903189990 635013700 /nfs/dbraw/zinc/01/37/00/635013700.db2.gz MKZCOMJAPMINER-VUZHLFFPSA-N 2 1 278.440 2.285 20 0 CEADMP C1=C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@H]2CO[C@@H]1C2 ZINC000903223957 635023196 /nfs/dbraw/zinc/02/31/96/635023196.db2.gz NNZNFVZGPITKJR-ZXSCNIEVSA-N 2 1 288.435 2.325 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)[C@@H]2CCC[C@@H]21 ZINC000903250874 635028821 /nfs/dbraw/zinc/02/88/21/635028821.db2.gz DSWYPKFBKPMPDE-QUSNUVHPSA-N 2 1 278.440 2.406 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)[C@@H]2CCC[C@H]21 ZINC000903261552 635034142 /nfs/dbraw/zinc/03/41/42/635034142.db2.gz ZYVFGLZMJGVMLA-RBZJEDDUSA-N 2 1 264.413 2.016 20 0 CEADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000903308830 635060040 /nfs/dbraw/zinc/06/00/40/635060040.db2.gz LKBOFYVUOZCFRM-IKGGRYGDSA-N 2 1 292.398 2.250 20 0 CEADMP CN1CC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000903318349 635064748 /nfs/dbraw/zinc/06/47/48/635064748.db2.gz ZNKWOZHSJWZLKM-ZWKOTPCHSA-N 2 1 299.462 2.477 20 0 CEADMP CN1CC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000903318349 635064753 /nfs/dbraw/zinc/06/47/53/635064753.db2.gz ZNKWOZHSJWZLKM-ZWKOTPCHSA-N 2 1 299.462 2.477 20 0 CEADMP C[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000903400035 635108704 /nfs/dbraw/zinc/10/87/04/635108704.db2.gz KUKBFANASNQRLU-QAPCUYQASA-N 2 1 288.435 2.318 20 0 CEADMP CCS[C@H]1CC[C@H]([N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903441463 635120629 /nfs/dbraw/zinc/12/06/29/635120629.db2.gz TXGWMJQLCCCADF-RFGFWPKPSA-N 2 1 256.459 2.448 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903420600 635121654 /nfs/dbraw/zinc/12/16/54/635121654.db2.gz DNMZJUPIOSONHE-WJTVCTBASA-N 2 1 258.356 2.479 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903420600 635121658 /nfs/dbraw/zinc/12/16/58/635121658.db2.gz DNMZJUPIOSONHE-WJTVCTBASA-N 2 1 258.356 2.479 20 0 CEADMP COC[C@H](C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C(C)C ZINC000903459448 635125478 /nfs/dbraw/zinc/12/54/78/635125478.db2.gz KYWVOIBZFGQQJS-GJZGRUSLSA-N 2 1 268.445 2.369 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCc2ccns2)C1 ZINC000903460603 635126104 /nfs/dbraw/zinc/12/61/04/635126104.db2.gz FKBXENNHBGWBRV-YUELXQCFSA-N 2 1 295.452 2.046 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC000903464947 635128428 /nfs/dbraw/zinc/12/84/28/635128428.db2.gz ZWWPQZMQTSXVBK-GDBMZVCRSA-N 2 1 255.365 2.481 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC000903464947 635128431 /nfs/dbraw/zinc/12/84/31/635128431.db2.gz ZWWPQZMQTSXVBK-GDBMZVCRSA-N 2 1 255.365 2.481 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCN(c3ccccc3)CC2)C1 ZINC000903442728 635129118 /nfs/dbraw/zinc/12/91/18/635129118.db2.gz ZYAHYJSCPLULSJ-JKSUJKDBSA-N 2 1 273.424 2.326 20 0 CEADMP COC[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C(C)C ZINC000903453591 635137141 /nfs/dbraw/zinc/13/71/41/635137141.db2.gz CYSXKBAEBSNYNA-HRCADAONSA-N 2 1 268.445 2.369 20 0 CEADMP CC(=O)Nc1cccc2c1C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC2 ZINC000903477241 635147354 /nfs/dbraw/zinc/14/73/54/635147354.db2.gz WCHJQKHOEFTNGO-HIFRSBDPSA-N 2 1 287.407 2.131 20 0 CEADMP CO[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)C1CCCC1 ZINC000903481721 635149776 /nfs/dbraw/zinc/14/97/76/635149776.db2.gz KUDFROQDUJWMAC-GJZGRUSLSA-N 2 1 266.429 2.456 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)s1 ZINC000903500369 635154480 /nfs/dbraw/zinc/15/44/80/635154480.db2.gz YXUPZQUTAPDYKH-ZYHUDNBSSA-N 2 1 296.436 2.260 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903494878 635157466 /nfs/dbraw/zinc/15/74/66/635157466.db2.gz OKYBOCDITJFJNM-QLFBSQMISA-N 2 1 289.423 2.239 20 0 CEADMP CO[C@H](C[N@@H+]1C[C@H](N)C(C)(C)C1)C1CCCCC1 ZINC000903559882 635163271 /nfs/dbraw/zinc/16/32/71/635163271.db2.gz LHLLQMDZOCOWOL-KGLIPLIRSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H](N)C(C)(C)C1)C1CCCCC1 ZINC000903559882 635163281 /nfs/dbraw/zinc/16/32/81/635163281.db2.gz LHLLQMDZOCOWOL-KGLIPLIRSA-N 2 1 254.418 2.251 20 0 CEADMP c1csc(C[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000903565252 635164573 /nfs/dbraw/zinc/16/45/73/635164573.db2.gz HRVZFHCHFUTMMW-STQMWFEESA-N 2 1 265.426 2.007 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)Cc2ccccc21 ZINC000903718231 635234156 /nfs/dbraw/zinc/23/41/56/635234156.db2.gz JAJJDXNFHKFZKE-HFTRVMKXSA-N 2 1 286.419 2.374 20 0 CEADMP CCC[C@@H](C)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903721486 635235050 /nfs/dbraw/zinc/23/50/50/635235050.db2.gz BEXYQAUKRHWHNF-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CCCC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903722386 635236016 /nfs/dbraw/zinc/23/60/16/635236016.db2.gz LRHUCPSFYMLMSG-LSDHHAIUSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903722387 635236529 /nfs/dbraw/zinc/23/65/29/635236529.db2.gz LSHDNEZCTGCAAR-AWEZNQCLSA-N 2 1 252.402 2.018 20 0 CEADMP CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903725588 635238513 /nfs/dbraw/zinc/23/85/13/635238513.db2.gz DEANOLZQOQFXBP-HOTGVXAUSA-N 2 1 295.471 2.004 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903726549 635239537 /nfs/dbraw/zinc/23/95/37/635239537.db2.gz MUBGMAAATVGYHB-CVEARBPZSA-N 2 1 295.471 2.004 20 0 CEADMP CCC[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C[C@@H]1CCCCO1 ZINC000903729716 635240820 /nfs/dbraw/zinc/24/08/20/635240820.db2.gz RFNZZIJZJUBLRU-GVDBMIGSSA-N 2 1 296.455 2.036 20 0 CEADMP COc1ccc([C@H](CO)[N@@H+](C)C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903728708 635240898 /nfs/dbraw/zinc/24/08/98/635240898.db2.gz FFKALSZYMHPHPV-YOEHRIQHSA-N 2 1 292.423 2.050 20 0 CEADMP CC(C)CO[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903734390 635250179 /nfs/dbraw/zinc/25/01/79/635250179.db2.gz YTNXCOIRYPKADB-GJZGRUSLSA-N 2 1 254.418 2.123 20 0 CEADMP c1csc(N2CCC[N@H+](C[C@@H]3CCCC[NH2+]C3)CC2)n1 ZINC000903737212 635251391 /nfs/dbraw/zinc/25/13/91/635251391.db2.gz QVVGDHXPPRROCT-CQSZACIVSA-N 2 1 294.468 2.045 20 0 CEADMP CC[N@@H+](CCc1ccccn1)C[C@H]1CCCC[NH2+]C1 ZINC000903736991 635251473 /nfs/dbraw/zinc/25/14/73/635251473.db2.gz OIRDTJUCMVXXLX-HNNXBMFYSA-N 2 1 261.413 2.336 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCCC[NH2+]C2)[C@H](C)C1 ZINC000903739177 635252715 /nfs/dbraw/zinc/25/27/15/635252715.db2.gz DMGGYFQIBKZQLT-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903741374 635254810 /nfs/dbraw/zinc/25/48/10/635254810.db2.gz OZDPXASCTHQYDG-DLBZAZTESA-N 2 1 279.472 2.040 20 0 CEADMP CC(C)[N@@H+](CC1CCC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903759908 635255644 /nfs/dbraw/zinc/25/56/44/635255644.db2.gz UCNIBQODNVMUDP-CVEARBPZSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903757040 635260805 /nfs/dbraw/zinc/26/08/05/635260805.db2.gz AXACIFIGVDDASJ-RBSFLKMASA-N 2 1 266.429 2.408 20 0 CEADMP FC(F)(F)[C@H]1CCC[C@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000903788354 635270782 /nfs/dbraw/zinc/27/07/82/635270782.db2.gz IYOGSQJIVDUUIR-UMSGYPCISA-N 2 1 292.345 2.028 20 0 CEADMP FC(F)(F)[C@H]1CCC[C@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000903788354 635270787 /nfs/dbraw/zinc/27/07/87/635270787.db2.gz IYOGSQJIVDUUIR-UMSGYPCISA-N 2 1 292.345 2.028 20 0 CEADMP CC(C)OCC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903814498 635272780 /nfs/dbraw/zinc/27/27/80/635272780.db2.gz MKOWVFXENYXDJN-AWEZNQCLSA-N 2 1 254.418 2.395 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2CCc1cccs1 ZINC000903799109 635276853 /nfs/dbraw/zinc/27/68/53/635276853.db2.gz QUDCALDXKQPDNX-TZMCWYRMSA-N 2 1 250.411 2.494 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CCc1cccs1 ZINC000903799109 635276858 /nfs/dbraw/zinc/27/68/58/635276858.db2.gz QUDCALDXKQPDNX-TZMCWYRMSA-N 2 1 250.411 2.494 20 0 CEADMP CC(C)OCC[C@H](O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810345 635285297 /nfs/dbraw/zinc/28/52/97/635285297.db2.gz BGSAAMGIAYRPCT-JKSUJKDBSA-N 2 1 298.471 2.146 20 0 CEADMP C(C[N@H+]1CC[NH2+]CCC12CCOCC2)[C@@H]1C[C@H]1C1CC1 ZINC000903819361 635289524 /nfs/dbraw/zinc/28/95/24/635289524.db2.gz HUOQXQVMANBELF-CVEARBPZSA-N 2 1 278.440 2.267 20 0 CEADMP Cc1noc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903824576 635291980 /nfs/dbraw/zinc/29/19/80/635291980.db2.gz RAKSYZZVHYXNHH-GJZGRUSLSA-N 2 1 292.427 2.022 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1nc(-c3ccccc3)no1)C2 ZINC000903843952 635302380 /nfs/dbraw/zinc/30/23/80/635302380.db2.gz XRDHTPSWWOZFEQ-QEJZJMRPSA-N 2 1 298.390 2.091 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000903850916 635304024 /nfs/dbraw/zinc/30/40/24/635304024.db2.gz ZTUWTXTWIJNYOZ-MRXNPFEDSA-N 2 1 284.444 2.023 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903854776 635306079 /nfs/dbraw/zinc/30/60/79/635306079.db2.gz KHUVRWHGIDGRFK-ZBFHGGJFSA-N 2 1 259.397 2.066 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903854776 635306083 /nfs/dbraw/zinc/30/60/83/635306083.db2.gz KHUVRWHGIDGRFK-ZBFHGGJFSA-N 2 1 259.397 2.066 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+])C1CCCC1 ZINC000903857023 635307799 /nfs/dbraw/zinc/30/77/99/635307799.db2.gz CEZNDCLRZNRYIV-KFWWJZLASA-N 2 1 252.402 2.005 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]2CC[C@]21C[NH3+])C1CCCC1 ZINC000903857023 635307802 /nfs/dbraw/zinc/30/78/02/635307802.db2.gz CEZNDCLRZNRYIV-KFWWJZLASA-N 2 1 252.402 2.005 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@@H]1CCC2(CCCC2)O1 ZINC000903857925 635309083 /nfs/dbraw/zinc/30/90/83/635309083.db2.gz GRLIWGKJIWJMIY-OFQRWUPVSA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@@H]1CCC2(CCCC2)O1 ZINC000903857925 635309086 /nfs/dbraw/zinc/30/90/86/635309086.db2.gz GRLIWGKJIWJMIY-OFQRWUPVSA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCCc1ccsc1 ZINC000903859212 635310029 /nfs/dbraw/zinc/31/00/29/635310029.db2.gz LOMVAFOFJPJOSW-KGLIPLIRSA-N 2 1 250.411 2.494 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCCc1ccsc1 ZINC000903859212 635310031 /nfs/dbraw/zinc/31/00/31/635310031.db2.gz LOMVAFOFJPJOSW-KGLIPLIRSA-N 2 1 250.411 2.494 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)C2CCCCC2)cnn1C ZINC000903872531 635321110 /nfs/dbraw/zinc/32/11/10/635321110.db2.gz GJIKXDYYWZRFKW-AWEZNQCLSA-N 2 1 278.444 2.110 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCN(C2CCCCC2)CC1 ZINC000903879220 635323443 /nfs/dbraw/zinc/32/34/43/635323443.db2.gz VZAUFRXVUJSABI-ALOPSCKCSA-N 2 1 291.483 2.467 20 0 CEADMP CCCC[N@@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)C1CC1 ZINC000903884575 635327083 /nfs/dbraw/zinc/32/70/83/635327083.db2.gz DAVAZGYBSSKQDQ-CQSZACIVSA-N 2 1 278.444 2.110 20 0 CEADMP [NH3+][C@H](CC(F)F)C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000903893217 635328460 /nfs/dbraw/zinc/32/84/60/635328460.db2.gz SMYOXZZAOOGHES-HIFRSBDPSA-N 2 1 298.377 2.341 20 0 CEADMP [NH3+][C@H](CC(F)F)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000903893217 635328463 /nfs/dbraw/zinc/32/84/63/635328463.db2.gz SMYOXZZAOOGHES-HIFRSBDPSA-N 2 1 298.377 2.341 20 0 CEADMP CC[C@]1(C)CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903894767 635330463 /nfs/dbraw/zinc/33/04/63/635330463.db2.gz DLIKOBYPCKWKQN-GOEBONIOSA-N 2 1 291.443 2.215 20 0 CEADMP CCC[C@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903897993 635333162 /nfs/dbraw/zinc/33/31/62/635333162.db2.gz KXJURVDNVIJSFF-LSDHHAIUSA-N 2 1 291.443 2.215 20 0 CEADMP C([C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)[NH+]1CCCCC1 ZINC000903899655 635335488 /nfs/dbraw/zinc/33/54/88/635335488.db2.gz VSWLHZXIUOEHHS-OOKSDGMUSA-N 3 1 291.483 2.325 20 0 CEADMP CC1([NH2+]C[C@H]([NH3+])CC(F)F)Cc2ccccc2C1 ZINC000903903558 635338678 /nfs/dbraw/zinc/33/86/78/635338678.db2.gz VPCGVKBKDVUCEB-GFCCVEGCSA-N 2 1 254.324 2.116 20 0 CEADMP COc1cc(C[NH2+]C[C@@H]([NH3+])CC(F)F)ccc1C ZINC000903922367 635350046 /nfs/dbraw/zinc/35/00/46/635350046.db2.gz WIQFHZKBHHPNJE-NSHDSACASA-N 2 1 258.312 2.076 20 0 CEADMP [NH3+][C@H](C[NH2+][C@@H]1CCc2c1cccc2F)CC(F)F ZINC000903926982 635354622 /nfs/dbraw/zinc/35/46/22/635354622.db2.gz WMLLTCPVNOQUGZ-QPUJVOFHSA-N 2 1 258.287 2.385 20 0 CEADMP c1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000903930365 635357419 /nfs/dbraw/zinc/35/74/19/635357419.db2.gz YIVRYBLZNRGFSJ-GOSISDBHSA-N 2 1 286.419 2.333 20 0 CEADMP C[N@H+](CC1=CCSC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932565 635357977 /nfs/dbraw/zinc/35/79/77/635357977.db2.gz DUWWVPBVAIUDPR-AGUYFDCRSA-N 2 1 252.427 2.122 20 0 CEADMP [NH3+][C@H](C[NH2+]CC[C@H]1CCc2ccccc2N1)CC(F)F ZINC000903933079 635357998 /nfs/dbraw/zinc/35/79/98/635357998.db2.gz YGSIMMNCXXKSKX-QWHCGFSZSA-N 2 1 283.366 2.376 20 0 CEADMP CCC[C@@]1(CO)CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917292 635364973 /nfs/dbraw/zinc/36/49/73/635364973.db2.gz YNVAXELUXCEJER-UYTSQGDYSA-N 2 1 266.429 2.144 20 0 CEADMP CCOC(=O)[C@H](CCCC(C)C)[NH2+]CC1CC[NH2+]CC1 ZINC000903959821 635369431 /nfs/dbraw/zinc/36/94/31/635369431.db2.gz PKUKYNOGBGGEKW-HNNXBMFYSA-N 2 1 284.444 2.334 20 0 CEADMP CCC1([NH3+])CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000903948154 635380851 /nfs/dbraw/zinc/38/08/51/635380851.db2.gz LWQZPLBANZKVMI-UHFFFAOYSA-N 2 1 273.424 2.036 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](N)CC(F)F ZINC000903948381 635381010 /nfs/dbraw/zinc/38/10/10/635381010.db2.gz OZJJQFGUBFMTFN-ZDUSSCGKSA-N 2 1 277.403 2.167 20 0 CEADMP CN(CCCC[NH+]1CCCCC1)C[C@@H]([NH3+])CC(F)F ZINC000903948381 635381013 /nfs/dbraw/zinc/38/10/13/635381013.db2.gz OZJJQFGUBFMTFN-ZDUSSCGKSA-N 2 1 277.403 2.167 20 0 CEADMP Cc1ccccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903954809 635387566 /nfs/dbraw/zinc/38/75/66/635387566.db2.gz GTADIZZYVNGYNV-CYBMUJFWSA-N 2 1 254.324 2.329 20 0 CEADMP C[C@H](CC1CCC1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971404 635390584 /nfs/dbraw/zinc/39/05/84/635390584.db2.gz AUZHUEHSHZXFKI-HIFRSBDPSA-N 2 1 266.429 2.313 20 0 CEADMP CCC[C@@H](CC)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972411 635392147 /nfs/dbraw/zinc/39/21/47/635392147.db2.gz HZBPYJKONVLGEB-KGLIPLIRSA-N 2 1 254.418 2.313 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1C ZINC000904302050 635555134 /nfs/dbraw/zinc/55/51/34/635555134.db2.gz UGBONACEHBHPJF-UHFFFAOYSA-N 2 1 290.407 2.483 20 0 CEADMP CC[NH2+]CC1CC[NH+](C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904301723 635555534 /nfs/dbraw/zinc/55/55/34/635555534.db2.gz PQJUPLLYTUTOII-OAHLLOKOSA-N 3 1 269.477 2.462 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904307428 635557411 /nfs/dbraw/zinc/55/74/11/635557411.db2.gz AFGLMWWNRPVGTB-IYBDPMFKSA-N 3 1 267.461 2.168 20 0 CEADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@H]1COc2ccccc2O1 ZINC000904311841 635560331 /nfs/dbraw/zinc/56/03/31/635560331.db2.gz IIJUQJXBPGNEEA-ZNMIVQPWSA-N 2 1 290.407 2.276 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000904315323 635561588 /nfs/dbraw/zinc/56/15/88/635561588.db2.gz AIIFYODGGNIGLD-KWCYVHTRSA-N 2 1 274.364 2.290 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](c2ccccc2)O1 ZINC000904313662 635561966 /nfs/dbraw/zinc/56/19/66/635561966.db2.gz XRNAJVMRCMGXJN-LUYZLQTOSA-N 2 1 260.381 2.186 20 0 CEADMP CC(C)(C)[N@H+]1CCCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904313695 635562032 /nfs/dbraw/zinc/56/20/32/635562032.db2.gz JRCSRMSGYJEJDO-MRXNPFEDSA-N 2 1 267.461 2.182 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904323982 635570932 /nfs/dbraw/zinc/57/09/32/635570932.db2.gz BBKYAZICGPWUMR-CVEARBPZSA-N 2 1 267.461 2.040 20 0 CEADMP C[C@H](O)[C@H]1CCC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904329705 635574975 /nfs/dbraw/zinc/57/49/75/635574975.db2.gz RKNNKCXDRHKUIS-IHRRRGAJSA-N 2 1 256.434 2.233 20 0 CEADMP C[C@H](O)[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904329705 635574991 /nfs/dbraw/zinc/57/49/91/635574991.db2.gz RKNNKCXDRHKUIS-IHRRRGAJSA-N 2 1 256.434 2.233 20 0 CEADMP CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000904331159 635576306 /nfs/dbraw/zinc/57/63/06/635576306.db2.gz DHMIIKWRGZQQIL-KSZLIROESA-N 2 1 287.451 2.320 20 0 CEADMP C[C@@H]1CN(c2ccccc2F)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343286 635580081 /nfs/dbraw/zinc/58/00/81/635580081.db2.gz SDPHKBRDIZZCBS-MCIONIFRSA-N 2 1 277.387 2.074 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1C ZINC000904355412 635586685 /nfs/dbraw/zinc/58/66/85/635586685.db2.gz NIZWRRSFITYBEU-TZMCWYRMSA-N 2 1 276.380 2.012 20 0 CEADMP Cc1cccc(C[NH2+]C[C@@H](C)C[NH3+])c1Br ZINC000904354404 635587098 /nfs/dbraw/zinc/58/70/98/635587098.db2.gz XIAVEUYTTAGLBK-VIFPVBQESA-N 2 1 271.202 2.442 20 0 CEADMP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904359629 635589011 /nfs/dbraw/zinc/58/90/11/635589011.db2.gz QHMBTJVNSZREGL-DVOMOZLQSA-N 2 1 284.407 2.448 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)C1 ZINC000904383837 635605622 /nfs/dbraw/zinc/60/56/22/635605622.db2.gz FOEOAPKGSQFRJU-LNSITVRQSA-N 2 1 264.344 2.016 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000904404895 635611434 /nfs/dbraw/zinc/61/14/34/635611434.db2.gz ADGKMZBRBKCKQK-NSHDSACASA-N 2 1 265.426 2.193 20 0 CEADMP COCCCOc1cccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000904406794 635613792 /nfs/dbraw/zinc/61/37/92/635613792.db2.gz WFZLLYAXKCASLU-OAHLLOKOSA-N 2 1 292.423 2.273 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nccn2-c2ccccc2)CC[C@@H]1C[NH3+] ZINC000904410191 635615136 /nfs/dbraw/zinc/61/51/36/635615136.db2.gz LYIJGQCZHTUHAX-HUUCEWRRSA-N 2 1 284.407 2.289 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC000904409426 635615463 /nfs/dbraw/zinc/61/54/63/635615463.db2.gz BPLRPWPJSQRHPT-CZUORRHYSA-N 2 1 261.413 2.239 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)s1 ZINC000904410673 635617058 /nfs/dbraw/zinc/61/70/58/635617058.db2.gz FCDMVBICIIPCJJ-QWHCGFSZSA-N 2 1 296.484 2.406 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904410546 635617131 /nfs/dbraw/zinc/61/71/31/635617131.db2.gz HICPUUAMZWZPGG-GXTWGEPZSA-N 2 1 275.396 2.062 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)CC[C@H]1C[NH3+] ZINC000904412144 635619431 /nfs/dbraw/zinc/61/94/31/635619431.db2.gz RATNGFSYUQJNRH-HOCLYGCPSA-N 2 1 288.439 2.099 20 0 CEADMP Cc1cccn2c(C[N@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cnc12 ZINC000904411607 635619439 /nfs/dbraw/zinc/61/94/39/635619439.db2.gz OCDZEYNYJCQFPD-KGLIPLIRSA-N 2 1 272.396 2.059 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3c2OCCCO3)CC[C@@H]1C[NH3+] ZINC000904412107 635620574 /nfs/dbraw/zinc/62/05/74/635620574.db2.gz PXOFGQFCTXWZSW-UONOGXRCSA-N 2 1 290.407 2.265 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CCOc3c(F)cccc32)CC[NH2+]C1 ZINC000904445944 635640705 /nfs/dbraw/zinc/64/07/05/635640705.db2.gz VHZAYWCNEDHZGY-HIFRSBDPSA-N 2 1 264.344 2.239 20 0 CEADMP [NH3+][C@@H]1c2ccccc2C[C@H]1NCc1cc2c(s1)CC[NH2+]C2 ZINC000904459247 635644504 /nfs/dbraw/zinc/64/45/04/635644504.db2.gz PRVDBBDMLFWSAG-NVXWUHKLSA-N 2 1 299.443 2.108 20 0 CEADMP C[C@]12CSC[C@H]1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000904477403 635649992 /nfs/dbraw/zinc/64/99/92/635649992.db2.gz VOZMTUSADWCBNO-IWNKAIHXSA-N 2 1 266.454 2.202 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccccc2C[NH3+])C[C@@H]1C ZINC000904647067 635695157 /nfs/dbraw/zinc/69/51/57/635695157.db2.gz QYCYIXWVEGFULX-QWHCGFSZSA-N 2 1 290.411 2.092 20 0 CEADMP CC[NH+](CC)CC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000826666526 635807084 /nfs/dbraw/zinc/80/70/84/635807084.db2.gz GWCQODBDMWWKPN-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@](O)(C[NH2+]C[C@H]1CC[N@@H+](CC(C)C)C1)C(F)(F)F ZINC000905161180 635863441 /nfs/dbraw/zinc/86/34/41/635863441.db2.gz UYRPBMGPRNWWNR-OLZOCXBDSA-N 2 1 296.377 2.257 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000905346583 636231821 /nfs/dbraw/zinc/23/18/21/636231821.db2.gz DBLYSEXIVWJGAD-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000905335285 636236087 /nfs/dbraw/zinc/23/60/87/636236087.db2.gz GCDXRAWGUSGXQC-MRXNPFEDSA-N 2 1 295.471 2.101 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCC=CCCC1)C1CC1 ZINC000905678932 636390887 /nfs/dbraw/zinc/39/08/87/636390887.db2.gz NCMXUJRNXYNIDN-ZBFHGGJFSA-N 2 1 266.429 2.168 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCC=CCCC1)C1CC1 ZINC000905678932 636390894 /nfs/dbraw/zinc/39/08/94/636390894.db2.gz NCMXUJRNXYNIDN-ZBFHGGJFSA-N 2 1 266.429 2.168 20 0 CEADMP CC(C)CC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000828011255 636485599 /nfs/dbraw/zinc/48/55/99/636485599.db2.gz AJEKZHMJCNUZSD-HOCLYGCPSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)CC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000828011255 636485604 /nfs/dbraw/zinc/48/56/04/636485604.db2.gz AJEKZHMJCNUZSD-HOCLYGCPSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000906092046 636594357 /nfs/dbraw/zinc/59/43/57/636594357.db2.gz FHEDUPASVOIYJO-XUWVNRHRSA-N 2 1 295.471 2.224 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CCCCCC[NH3+] ZINC000828949700 636733261 /nfs/dbraw/zinc/73/32/61/636733261.db2.gz KEVUFYKMEOMIHD-GASCZTMLSA-N 2 1 283.460 2.275 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000906516252 636764451 /nfs/dbraw/zinc/76/44/51/636764451.db2.gz ABFJTINDMNOXID-WKILWMFISA-N 2 1 283.375 2.240 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)C)C1 ZINC000906564933 636791460 /nfs/dbraw/zinc/79/14/60/636791460.db2.gz BXJBNXSEZUBTNI-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+](C)C ZINC000907285798 636983902 /nfs/dbraw/zinc/98/39/02/636983902.db2.gz NYYJQFJBGGWNQY-YCPHGPKFSA-N 2 1 295.471 2.096 20 0 CEADMP O[C@@H](CN1CCCC1)C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000830987460 637210422 /nfs/dbraw/zinc/21/04/22/637210422.db2.gz DRBUTPUPMYKUHV-HOTGVXAUSA-N 2 1 266.429 2.098 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000830987460 637210424 /nfs/dbraw/zinc/21/04/24/637210424.db2.gz DRBUTPUPMYKUHV-HOTGVXAUSA-N 2 1 266.429 2.098 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000830987460 637210427 /nfs/dbraw/zinc/21/04/27/637210427.db2.gz DRBUTPUPMYKUHV-HOTGVXAUSA-N 2 1 266.429 2.098 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000908262148 637277304 /nfs/dbraw/zinc/27/73/04/637277304.db2.gz PTJXQAJAHPVORR-AWEZNQCLSA-N 2 1 283.460 2.096 20 0 CEADMP O[C@@H](C[NH2+][C@@H](c1cccs1)C1CC1)C[NH+]1CCCC1 ZINC000908922111 637536275 /nfs/dbraw/zinc/53/62/75/637536275.db2.gz RGNFIXZKXADULL-DZGCQCFKSA-N 2 1 280.437 2.246 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000834858764 637973734 /nfs/dbraw/zinc/97/37/34/637973734.db2.gz VKSIWGFRWGGRIK-AWEZNQCLSA-N 2 1 283.460 2.003 20 0 CEADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)CC2 ZINC000911844928 638441283 /nfs/dbraw/zinc/44/12/83/638441283.db2.gz HCAFUXJGURCODC-FZMZJTMJSA-N 2 1 298.390 2.412 20 0 CEADMP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000912804808 639021072 /nfs/dbraw/zinc/02/10/72/639021072.db2.gz FCPAYQDBKZGWOY-GDBMZVCRSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000876947320 650500782 /nfs/dbraw/zinc/50/07/82/650500782.db2.gz DDDHELBPTMRXNY-UHFFFAOYSA-N 2 1 297.830 2.060 20 0 CEADMP CC[N@H+]1CC[C@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@H]12 ZINC000991620049 639507737 /nfs/dbraw/zinc/50/77/37/639507737.db2.gz FSDARAHEYLEHPH-DOTOQJQBSA-N 2 1 298.390 2.081 20 0 CEADMP C[N@H+]1CCN(C[C@@]2(C)CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000227139119 639574089 /nfs/dbraw/zinc/57/40/89/639574089.db2.gz RVHKUDLAMBKIOS-ROUUACIJSA-N 2 1 287.451 2.365 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000227188709 639574644 /nfs/dbraw/zinc/57/46/44/639574644.db2.gz UVOAELIOYGKJSX-GJZGRUSLSA-N 2 1 262.397 2.433 20 0 CEADMP CC[N@@H+](CCc1ccccn1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841008823 639616213 /nfs/dbraw/zinc/61/62/13/639616213.db2.gz XKNYZYQNDUNISM-HUUCEWRRSA-N 2 1 261.413 2.334 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CC[NH2+]1 ZINC000841022914 639619191 /nfs/dbraw/zinc/61/91/91/639619191.db2.gz RXJFGCSEUHEESM-HZPDHXFCSA-N 3 1 279.472 2.182 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]C[C@H]1CCC[N@@H+](CC)C1)OC ZINC000876988657 650521814 /nfs/dbraw/zinc/52/18/14/650521814.db2.gz ILQRKIMJHJJHEC-ZNMIVQPWSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088432611 639970578 /nfs/dbraw/zinc/97/05/78/639970578.db2.gz DXTBFWADSKWCAY-VWYCJHECSA-N 2 1 250.308 2.116 20 0 CEADMP COC[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(C)C ZINC000929695983 640021435 /nfs/dbraw/zinc/02/14/35/640021435.db2.gz JFYJVCGCXLCUTH-CVEARBPZSA-N 2 1 268.445 2.323 20 0 CEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(Cl)nc1 ZINC000842471528 640071011 /nfs/dbraw/zinc/07/10/11/640071011.db2.gz HHEAUGHINJMUCK-NSHDSACASA-N 2 1 253.777 2.166 20 0 CEADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H](O)c1ccc(C)cc1 ZINC000842472519 640072415 /nfs/dbraw/zinc/07/24/15/640072415.db2.gz CTTVWCHRLXVLIJ-DOTOQJQBSA-N 2 1 276.424 2.350 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000877073768 650559520 /nfs/dbraw/zinc/55/95/20/650559520.db2.gz RWOYBUWGQCOJRI-QWHCGFSZSA-N 2 1 299.365 2.206 20 0 CEADMP CCc1nn(C)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000843059899 640262677 /nfs/dbraw/zinc/26/26/77/640262677.db2.gz UDCLNDMZKDWMIN-GVXVVHGQSA-N 2 1 296.846 2.195 20 0 CEADMP CCc1nn(C)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000843059899 640262682 /nfs/dbraw/zinc/26/26/82/640262682.db2.gz UDCLNDMZKDWMIN-GVXVVHGQSA-N 2 1 296.846 2.195 20 0 CEADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000843066794 640266107 /nfs/dbraw/zinc/26/61/07/640266107.db2.gz URGQCHJTONONDZ-CABCVRRESA-N 2 1 280.387 2.451 20 0 CEADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000843066794 640266109 /nfs/dbraw/zinc/26/61/09/640266109.db2.gz URGQCHJTONONDZ-CABCVRRESA-N 2 1 280.387 2.451 20 0 CEADMP Clc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000843120188 640289504 /nfs/dbraw/zinc/28/95/04/640289504.db2.gz OPEGZJWCMYDLLM-UHFFFAOYSA-N 2 1 265.788 2.311 20 0 CEADMP CCc1ccccc1NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843353863 640400481 /nfs/dbraw/zinc/40/04/81/640400481.db2.gz NTRIAKRHJQAIEG-UHFFFAOYSA-N 2 1 289.423 2.389 20 0 CEADMP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354971 640401483 /nfs/dbraw/zinc/40/14/83/640401483.db2.gz HIMOTGNSXPLFQX-SLTXQBBLSA-N 2 1 295.471 2.225 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCc1ccncc1 ZINC000843360283 640403723 /nfs/dbraw/zinc/40/37/23/640403723.db2.gz LXEXQSUPSDKANT-MQVJKMGUSA-N 2 1 259.397 2.358 20 0 CEADMP Cc1ccc2c(C[NH+]3CCC(C)([NH3+])CC3)cc(=O)oc2c1 ZINC000843375264 640410465 /nfs/dbraw/zinc/41/04/65/640410465.db2.gz CASMOCBLMTWRNJ-UHFFFAOYSA-N 2 1 286.375 2.415 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)[C@H]1CC[NH3+] ZINC000844901663 640859711 /nfs/dbraw/zinc/85/97/11/640859711.db2.gz JWFSPFSLONDJLQ-ZBFHGGJFSA-N 2 1 299.422 2.217 20 0 CEADMP C[N@H+]1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CCC1(C)C ZINC000877206222 650627687 /nfs/dbraw/zinc/62/76/87/650627687.db2.gz DOYAHVFSMBTZAD-HUUCEWRRSA-N 2 1 295.471 2.227 20 0 CEADMP COc1ccc(NC(=O)C[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000846217221 641226063 /nfs/dbraw/zinc/22/60/63/641226063.db2.gz DNOBBCRVHLEIOG-UHFFFAOYSA-N 2 1 293.411 2.085 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000846226771 641234066 /nfs/dbraw/zinc/23/40/66/641234066.db2.gz BRKHAMWXNYKRMZ-BRWVUGGUSA-N 3 1 297.487 2.256 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CCO)c1cccs1 ZINC000846853097 641454240 /nfs/dbraw/zinc/45/42/40/641454240.db2.gz QISYZGKRSQZYGE-CYBMUJFWSA-N 2 1 279.409 2.128 20 0 CEADMP C[C@H](Cc1ccco1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848521481 642029657 /nfs/dbraw/zinc/02/96/57/642029657.db2.gz SLZTZZIHSNPLNU-RHSMWYFYSA-N 2 1 292.423 2.444 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc[nH]1 ZINC000848536033 642041115 /nfs/dbraw/zinc/04/11/15/642041115.db2.gz JLTACNPTAUNUKA-DZGCQCFKSA-N 2 1 277.412 2.309 20 0 CEADMP Cn1c(C[NH2+]CCCC[N@@H+](C)C2CC2)cnc1Cl ZINC000848554791 642050064 /nfs/dbraw/zinc/05/00/64/642050064.db2.gz CFGKKCRKAMETTC-UHFFFAOYSA-N 2 1 270.808 2.038 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]C(C)C)C(C)(C)C1 ZINC000995875766 642080438 /nfs/dbraw/zinc/08/04/38/642080438.db2.gz WZZNAMXSSGPKSX-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H](C)NC(=[NH2+])NCC[N@@H+](C)C1CCCCC1 ZINC000848987841 642210115 /nfs/dbraw/zinc/21/01/15/642210115.db2.gz HGKPPXVOMZMRJA-LBPRGKRZSA-N 2 1 254.422 2.163 20 0 CEADMP CNC(=[NH2+])NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989182 642210952 /nfs/dbraw/zinc/21/09/52/642210952.db2.gz CZSZYNSVOAMXBG-HIFRSBDPSA-N 2 1 274.412 2.031 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCSC(C)(C)C ZINC000848991726 642212470 /nfs/dbraw/zinc/21/24/70/642212470.db2.gz IIZGJVVCGAHCIS-LBPRGKRZSA-N 2 1 286.489 2.116 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000848996503 642216067 /nfs/dbraw/zinc/21/60/67/642216067.db2.gz ZRKAGBMSVDHVNU-CYBMUJFWSA-N 2 1 294.468 2.135 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000849027699 642241375 /nfs/dbraw/zinc/24/13/75/642241375.db2.gz GNSYWZOKLCXVLO-KBPBESRZSA-N 2 1 266.433 2.117 20 0 CEADMP CC[N@@H+](CCCNC(=[NH2+])N[C@H](C)COC)C1CCCCC1 ZINC000849047040 642255699 /nfs/dbraw/zinc/25/56/99/642255699.db2.gz NMOOEDMQYFFTIR-CQSZACIVSA-N 2 1 298.475 2.180 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000921618653 642271147 /nfs/dbraw/zinc/27/11/47/642271147.db2.gz JZELUOQDFYWWCN-OVYBAWALSA-N 2 1 278.440 2.120 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000999575978 642498971 /nfs/dbraw/zinc/49/89/71/642498971.db2.gz SLRDDZXJDYIXQD-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999580749 642499460 /nfs/dbraw/zinc/49/94/60/642499460.db2.gz OGVFHDTTZBQDHA-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCCn1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cn1 ZINC000685470793 642575113 /nfs/dbraw/zinc/57/51/13/642575113.db2.gz RWPIVAKIAKCMBS-CVEARBPZSA-N 2 1 276.428 2.209 20 0 CEADMP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)C[C@H]1CC1(Cl)Cl ZINC000877532322 650772008 /nfs/dbraw/zinc/77/20/08/650772008.db2.gz VDAQHEZDHBJPFD-MXWKQRLJSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)C[C@H]1CC1(Cl)Cl ZINC000877532322 650772016 /nfs/dbraw/zinc/77/20/16/650772016.db2.gz VDAQHEZDHBJPFD-MXWKQRLJSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@H]1CC1(Cl)Cl ZINC000877532322 650772018 /nfs/dbraw/zinc/77/20/18/650772018.db2.gz VDAQHEZDHBJPFD-MXWKQRLJSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@H]1CC1(Cl)Cl ZINC000877532322 650772020 /nfs/dbraw/zinc/77/20/20/650772020.db2.gz VDAQHEZDHBJPFD-MXWKQRLJSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@H]1CC1(Cl)Cl ZINC000877532322 650772023 /nfs/dbraw/zinc/77/20/23/650772023.db2.gz VDAQHEZDHBJPFD-MXWKQRLJSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@H]1CC1(Cl)Cl ZINC000877532322 650772026 /nfs/dbraw/zinc/77/20/26/650772026.db2.gz VDAQHEZDHBJPFD-MXWKQRLJSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000877532326 650772231 /nfs/dbraw/zinc/77/22/31/650772231.db2.gz VDAQHEZDHBJPFD-VWYCJHECSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000877532326 650772233 /nfs/dbraw/zinc/77/22/33/650772233.db2.gz VDAQHEZDHBJPFD-VWYCJHECSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1CC1(Cl)Cl ZINC000877532326 650772234 /nfs/dbraw/zinc/77/22/34/650772234.db2.gz VDAQHEZDHBJPFD-VWYCJHECSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1CC1(Cl)Cl ZINC000877532326 650772236 /nfs/dbraw/zinc/77/22/36/650772236.db2.gz VDAQHEZDHBJPFD-VWYCJHECSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000877532326 650772238 /nfs/dbraw/zinc/77/22/38/650772238.db2.gz VDAQHEZDHBJPFD-VWYCJHECSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000877532326 650772239 /nfs/dbraw/zinc/77/22/39/650772239.db2.gz VDAQHEZDHBJPFD-VWYCJHECSA-N 2 1 265.228 2.452 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CCC(C)(C)F)s1 ZINC000850374710 642688377 /nfs/dbraw/zinc/68/83/77/642688377.db2.gz ODCFGZPOXMUVNT-UHFFFAOYSA-N 2 1 259.394 2.433 20 0 CEADMP CCOC(=O)NC1CCC([NH2+][C@H](C)C[NH+](CC)CC)CC1 ZINC000850431730 642710589 /nfs/dbraw/zinc/71/05/89/642710589.db2.gz INLYFFMFVURSMG-WLYUNCDWSA-N 2 1 299.459 2.364 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC001001391765 642719181 /nfs/dbraw/zinc/71/91/81/642719181.db2.gz IQZDXTDCMODQJH-MRXNPFEDSA-N 2 1 295.471 2.096 20 0 CEADMP CON(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000850480175 642727322 /nfs/dbraw/zinc/72/73/22/642727322.db2.gz MCPNIBBOFBSEJX-DOTOQJQBSA-N 2 1 291.439 2.122 20 0 CEADMP CON(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000850480175 642727326 /nfs/dbraw/zinc/72/73/26/642727326.db2.gz MCPNIBBOFBSEJX-DOTOQJQBSA-N 2 1 291.439 2.122 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](O)c3ccccc32)[C@H](C)C1 ZINC000850528314 642742201 /nfs/dbraw/zinc/74/22/01/642742201.db2.gz GXKSQYCQRQGWQH-VJUNAUMWSA-N 2 1 274.408 2.485 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](O)c3ccccc32)[C@H](C)C1 ZINC000850528314 642742209 /nfs/dbraw/zinc/74/22/09/642742209.db2.gz GXKSQYCQRQGWQH-VJUNAUMWSA-N 2 1 274.408 2.485 20 0 CEADMP CCC(CC)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002477162 642791196 /nfs/dbraw/zinc/79/11/96/642791196.db2.gz WVXPKCJFRXSUTO-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001016334390 642837883 /nfs/dbraw/zinc/83/78/83/642837883.db2.gz RMAPUNODBMLDSQ-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1cnn(CC3CCC3)c1)C2 ZINC000922027119 642847078 /nfs/dbraw/zinc/84/70/78/642847078.db2.gz ZNYDNVLVDBFMOA-OAHLLOKOSA-N 2 1 299.422 2.232 20 0 CEADMP c1cc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)n(C2CCC2)n1 ZINC000922063406 642861080 /nfs/dbraw/zinc/86/10/80/642861080.db2.gz IYYOATZQTVOKEH-ZDUSSCGKSA-N 2 1 285.395 2.157 20 0 CEADMP O=c1[nH]c2cccc(C[NH2+]C[C@@H]3CCn4cc[nH+]c4C3)c2o1 ZINC000922064658 642863084 /nfs/dbraw/zinc/86/30/84/642863084.db2.gz YMDOGLKPRUZDCE-LLVKDONJSA-N 2 1 298.346 2.082 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCc2ccccc2C1 ZINC000851774661 643155695 /nfs/dbraw/zinc/15/56/95/643155695.db2.gz ZGQFKTZELOREDR-ZWKOTPCHSA-N 2 1 290.451 2.177 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000851774661 643155697 /nfs/dbraw/zinc/15/56/97/643155697.db2.gz ZGQFKTZELOREDR-ZWKOTPCHSA-N 2 1 290.451 2.177 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000851774661 643155702 /nfs/dbraw/zinc/15/57/02/643155702.db2.gz ZGQFKTZELOREDR-ZWKOTPCHSA-N 2 1 290.451 2.177 20 0 CEADMP CC1(C)OC[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000851779072 643158346 /nfs/dbraw/zinc/15/83/46/643158346.db2.gz PYBZAWXZGWNHSY-HUUCEWRRSA-N 2 1 282.428 2.088 20 0 CEADMP CC1(C)OC[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000851779072 643158349 /nfs/dbraw/zinc/15/83/49/643158349.db2.gz PYBZAWXZGWNHSY-HUUCEWRRSA-N 2 1 282.428 2.088 20 0 CEADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000851795609 643166531 /nfs/dbraw/zinc/16/65/31/643166531.db2.gz GJWVCYJWGFSCMD-OWCLPIDISA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000851795609 643166538 /nfs/dbraw/zinc/16/65/38/643166538.db2.gz GJWVCYJWGFSCMD-OWCLPIDISA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000851795609 643166544 /nfs/dbraw/zinc/16/65/44/643166544.db2.gz GJWVCYJWGFSCMD-OWCLPIDISA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@](C)(CC(=O)OC)[NH2+]CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000851852468 643191782 /nfs/dbraw/zinc/19/17/82/643191782.db2.gz DACZCLJABISVIH-OFQRWUPVSA-N 2 1 284.444 2.286 20 0 CEADMP CO[C@H]1CC[C@@H]([N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000851860344 643196692 /nfs/dbraw/zinc/19/66/92/643196692.db2.gz KHRSXYVYYFGZKL-KGLIPLIRSA-N 2 1 251.374 2.081 20 0 CEADMP CO[C@H]1CC[C@@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000851860344 643196695 /nfs/dbraw/zinc/19/66/95/643196695.db2.gz KHRSXYVYYFGZKL-KGLIPLIRSA-N 2 1 251.374 2.081 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)C[NH+](C)C ZINC000922753305 643243313 /nfs/dbraw/zinc/24/33/13/643243313.db2.gz NYUVDYDCLMUXHZ-JKSUJKDBSA-N 2 1 298.471 2.425 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)C[NH+](C)C ZINC000922756279 643246476 /nfs/dbraw/zinc/24/64/76/643246476.db2.gz NPJYMFQHGJRXPR-RRFJBIMHSA-N 2 1 286.460 2.136 20 0 CEADMP COCC[N@H+](Cc1cnccc1C)CC1CC[NH+](C)CC1 ZINC000877664029 650839570 /nfs/dbraw/zinc/83/95/70/650839570.db2.gz FNEIASUQYHKXMB-UHFFFAOYSA-N 2 1 291.439 2.180 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CC1(C)CCC1 ZINC000877664801 650840650 /nfs/dbraw/zinc/84/06/50/650840650.db2.gz XKQXCAICILNXRE-UHFFFAOYSA-N 2 1 268.445 2.467 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@H]1CCO ZINC000852755203 643538068 /nfs/dbraw/zinc/53/80/68/643538068.db2.gz HBERAPAELMFNKH-CABCVRRESA-N 2 1 256.434 2.379 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC2CC(F)(F)C2)CCO1 ZINC000852762064 643542190 /nfs/dbraw/zinc/54/21/90/643542190.db2.gz GZOYXWSQKJKEPK-ZDUSSCGKSA-N 2 1 276.371 2.074 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000877689724 650852034 /nfs/dbraw/zinc/85/20/34/650852034.db2.gz JJIPGHJMODQNBR-CQSZACIVSA-N 2 1 252.402 2.485 20 0 CEADMP C(C[NH+]1CCC2(CC[NH2+]2)CC1)C1SCCS1 ZINC000853023159 643624407 /nfs/dbraw/zinc/62/44/07/643624407.db2.gz OONLRTWIOUUOCQ-UHFFFAOYSA-N 2 1 258.456 2.011 20 0 CEADMP CCc1onc(C)c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000923287757 643642198 /nfs/dbraw/zinc/64/21/98/643642198.db2.gz FQTGQZHJUCXKKD-CMPLNLGQSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000923287757 643642210 /nfs/dbraw/zinc/64/22/10/643642210.db2.gz FQTGQZHJUCXKKD-CMPLNLGQSA-N 2 1 251.374 2.105 20 0 CEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC([NH3+])CC1 ZINC000923294507 643646453 /nfs/dbraw/zinc/64/64/53/643646453.db2.gz MPNFPNGDHGQNAF-OZEOOWDWSA-N 3 1 265.445 2.109 20 0 CEADMP CC[N@H+](CCC[NH2+]C1CC1)C[C@H]1COc2ccccc2O1 ZINC000923297524 643648525 /nfs/dbraw/zinc/64/85/25/643648525.db2.gz JEMQVECWELBLMR-HNNXBMFYSA-N 2 1 290.407 2.290 20 0 CEADMP CC[N@@H+](CCC[NH2+]C1CC1)C[C@H]1COc2ccccc2O1 ZINC000923297524 643648528 /nfs/dbraw/zinc/64/85/28/643648528.db2.gz JEMQVECWELBLMR-HNNXBMFYSA-N 2 1 290.407 2.290 20 0 CEADMP COc1ccc(OCC[N@H+](C)CCC[NH2+]C2CC2)cc1 ZINC000923302704 643650487 /nfs/dbraw/zinc/65/04/87/643650487.db2.gz UNCCYBYWVDIFPS-UHFFFAOYSA-N 2 1 278.396 2.148 20 0 CEADMP COc1ccc(OCC[N@@H+](C)CCC[NH2+]C2CC2)cc1 ZINC000923302704 643650489 /nfs/dbraw/zinc/65/04/89/643650489.db2.gz UNCCYBYWVDIFPS-UHFFFAOYSA-N 2 1 278.396 2.148 20 0 CEADMP Fc1ccccc1C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923301948 643650973 /nfs/dbraw/zinc/65/09/73/643650973.db2.gz LUVCJVHVYPDHAX-HNNXBMFYSA-N 2 1 290.382 2.169 20 0 CEADMP CC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)c1cccc(O)c1 ZINC000923306224 643651828 /nfs/dbraw/zinc/65/18/28/643651828.db2.gz IJNKYXTWWMTGDM-BBRMVZONSA-N 2 1 290.407 2.154 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923314526 643654859 /nfs/dbraw/zinc/65/48/59/643654859.db2.gz AGDCGJLOEJKXER-OIISXLGYSA-N 2 1 286.419 2.243 20 0 CEADMP C[C@H]1c2c(F)cccc2CC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315272 643655121 /nfs/dbraw/zinc/65/51/21/643655121.db2.gz FCEBPQPOKCBWHU-JSGCOSHPSA-N 2 1 290.382 2.123 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316686 643656013 /nfs/dbraw/zinc/65/60/13/643656013.db2.gz QZUNVVBPODCXBA-ZNMIVQPWSA-N 2 1 266.429 2.266 20 0 CEADMP C(C[N@H+]1CCC[C@H]2COCC[C@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923318881 643657431 /nfs/dbraw/zinc/65/74/31/643657431.db2.gz PWHNIIUOJGJVPM-LMBMLGAESA-N 2 1 278.440 2.408 20 0 CEADMP c1csc(C[NH+]2CCN(CCC[NH2+]C3CC3)CC2)c1 ZINC000923320113 643660943 /nfs/dbraw/zinc/66/09/43/643660943.db2.gz USEYDGHYYQUZAU-UHFFFAOYSA-N 2 1 279.453 2.008 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923330735 643661455 /nfs/dbraw/zinc/66/14/55/643661455.db2.gz HQFZGFJFUIKCPD-OAHLLOKOSA-N 2 1 266.429 2.003 20 0 CEADMP C[C@H]1CN(C)c2ccccc2C[N@H+]1CCC[NH2+]C1CC1 ZINC000923323842 643663838 /nfs/dbraw/zinc/66/38/38/643663838.db2.gz ALOGSXBLCPOKFH-AWEZNQCLSA-N 2 1 273.424 2.469 20 0 CEADMP CCC[N@@H+](C[C@@H](O)CCc1ccccc1)C1CC[NH2+]CC1 ZINC000923326365 643664661 /nfs/dbraw/zinc/66/46/61/643664661.db2.gz GINRFCYFLYOIPC-SFHVURJKSA-N 2 1 290.451 2.444 20 0 CEADMP CC[N@@H+](C[C@H](O)c1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000923336459 643668321 /nfs/dbraw/zinc/66/83/21/643668321.db2.gz SMGHENHWWATNQU-HOTGVXAUSA-N 2 1 280.387 2.323 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)sn1 ZINC000923357960 643677190 /nfs/dbraw/zinc/67/71/90/643677190.db2.gz BVCJAZUECQREDG-QWHCGFSZSA-N 2 1 295.452 2.363 20 0 CEADMP O[C@H](Cc1ccccc1)C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000923365394 643681327 /nfs/dbraw/zinc/68/13/27/643681327.db2.gz SOSSZQOFIDABJA-KURKYZTESA-N 2 1 288.435 2.197 20 0 CEADMP O[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000923365394 643681333 /nfs/dbraw/zinc/68/13/33/643681333.db2.gz SOSSZQOFIDABJA-KURKYZTESA-N 2 1 288.435 2.197 20 0 CEADMP CCN1C[C@H](C)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000923374568 643685200 /nfs/dbraw/zinc/68/52/00/643685200.db2.gz ZOVBQPHIQSVUFG-ZSNVMCELSA-N 2 1 279.472 2.322 20 0 CEADMP CC[N@@H+]1C[C@H](C)N(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000923374568 643685206 /nfs/dbraw/zinc/68/52/06/643685206.db2.gz ZOVBQPHIQSVUFG-ZSNVMCELSA-N 2 1 279.472 2.322 20 0 CEADMP CC[N@H+]1C[C@H](C)N(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000923374568 643685209 /nfs/dbraw/zinc/68/52/09/643685209.db2.gz ZOVBQPHIQSVUFG-ZSNVMCELSA-N 2 1 279.472 2.322 20 0 CEADMP COC(=O)[C@@H](C)[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1 ZINC000923375991 643685527 /nfs/dbraw/zinc/68/55/27/643685527.db2.gz GWLLUMCUMAAWBP-XJKSGUPXSA-N 2 1 290.407 2.269 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)CCCO1 ZINC000923379824 643687568 /nfs/dbraw/zinc/68/75/68/643687568.db2.gz SUKCTNFBRMLWCV-CQSZACIVSA-N 2 1 252.402 2.006 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000923382033 643688736 /nfs/dbraw/zinc/68/87/36/643688736.db2.gz IQRGLCJMFWJWLS-FIRUKDTASA-N 2 1 280.387 2.164 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000923392281 643691640 /nfs/dbraw/zinc/69/16/40/643691640.db2.gz JSUDTJCQUCEZAD-MWDXBVQZSA-N 2 1 298.471 2.144 20 0 CEADMP CCO[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1C[NH3+] ZINC000923386218 643691748 /nfs/dbraw/zinc/69/17/48/643691748.db2.gz HYYZNIHHGYWCOR-HUUCEWRRSA-N 2 1 266.429 2.252 20 0 CEADMP OCC[C@@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923386359 643691854 /nfs/dbraw/zinc/69/18/54/643691854.db2.gz MUZGRKRYIHQQJO-UYTSQGDYSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1CC[NH3+] ZINC000923386938 643692296 /nfs/dbraw/zinc/69/22/96/643692296.db2.gz LKPWQZDJBHGZBT-UCHQMPSGSA-N 2 1 279.472 2.356 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000923388065 643692576 /nfs/dbraw/zinc/69/25/76/643692576.db2.gz QSTLYOKUTCBWSC-FZMZJTMJSA-N 2 1 265.401 2.495 20 0 CEADMP C[N@@H+](CCCn1ccnc1)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923386743 643692615 /nfs/dbraw/zinc/69/26/15/643692615.db2.gz DYTBCGACKWEJSI-MQVJKMGUSA-N 3 1 276.428 2.126 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCc1cccc(F)c1)C2 ZINC000923388724 643694012 /nfs/dbraw/zinc/69/40/12/643694012.db2.gz UEFXAFOQETXJSQ-HOCLYGCPSA-N 2 1 262.372 2.429 20 0 CEADMP C(C1CCC1)[C@H]1CCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923394538 643694755 /nfs/dbraw/zinc/69/47/55/643694755.db2.gz CXGZKWUATRZGDH-CVEARBPZSA-N 2 1 278.440 2.410 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000923409814 643700182 /nfs/dbraw/zinc/70/01/82/643700182.db2.gz GCKYQKFPWACDHN-IAGOWNOFSA-N 2 1 276.424 2.183 20 0 CEADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000923414257 643702030 /nfs/dbraw/zinc/70/20/30/643702030.db2.gz BDDCSPDWNONBFG-JKSUJKDBSA-N 2 1 278.440 2.267 20 0 CEADMP C[C@@]1(c2ccccc2)CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923427370 643705995 /nfs/dbraw/zinc/70/59/95/643705995.db2.gz RREZVOOCGJAMDJ-IRXDYDNUSA-N 2 1 286.419 2.376 20 0 CEADMP CC(C)CC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000923427283 643706157 /nfs/dbraw/zinc/70/61/57/643706157.db2.gz IXLDXBVUTPOGHW-ZIAGYGMSSA-N 2 1 254.418 2.048 20 0 CEADMP O[C@@H](Cc1ccccc1)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923427983 643707138 /nfs/dbraw/zinc/70/71/38/643707138.db2.gz NBBWLIORXIWNCG-ROUUACIJSA-N 2 1 288.435 2.056 20 0 CEADMP O[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923427981 643707316 /nfs/dbraw/zinc/70/73/16/643707316.db2.gz NBBWLIORXIWNCG-MSOLQXFVSA-N 2 1 288.435 2.056 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)C1CCCCC1 ZINC000923480056 643730848 /nfs/dbraw/zinc/73/08/48/643730848.db2.gz DSJDVLWVRARTBQ-UKRRQHHQSA-N 2 1 254.418 2.252 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000923482553 643731833 /nfs/dbraw/zinc/73/18/33/643731833.db2.gz QRRUTZIQQFYNGX-HNNXBMFYSA-N 2 1 262.397 2.299 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000923482699 643732310 /nfs/dbraw/zinc/73/23/10/643732310.db2.gz IIXAOMHKXLMVES-MRXNPFEDSA-N 2 1 284.407 2.102 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000923490153 643735195 /nfs/dbraw/zinc/73/51/95/643735195.db2.gz SMHIQTYOYWRFGT-NSHDSACASA-N 2 1 290.342 2.046 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)O2)CC[C@H]1C[NH3+] ZINC000923491092 643736117 /nfs/dbraw/zinc/73/61/17/643736117.db2.gz QRJMYIRCPWFPLQ-HZSPNIEDSA-N 2 1 252.402 2.005 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc3ccccc3c2)C1 ZINC000923490630 643736225 /nfs/dbraw/zinc/73/62/25/643736225.db2.gz FANJOQZYPNAOPT-AWEZNQCLSA-N 2 1 297.402 2.449 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000923492933 643736849 /nfs/dbraw/zinc/73/68/49/643736849.db2.gz ZOVACLPMRHVSCS-XNRPHZJLSA-N 2 1 280.387 2.430 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000923494292 643738382 /nfs/dbraw/zinc/73/83/82/643738382.db2.gz VYJPHXXJTOITMH-ZDUSSCGKSA-N 2 1 288.370 2.182 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923500188 643740692 /nfs/dbraw/zinc/74/06/92/643740692.db2.gz OYBQIELXGWLJLN-GJZGRUSLSA-N 2 1 292.423 2.381 20 0 CEADMP COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923499047 643741380 /nfs/dbraw/zinc/74/13/80/643741380.db2.gz QLFDNQKPYGTLPJ-LZWOXQAQSA-N 2 1 290.407 2.126 20 0 CEADMP CCc1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923505493 643743275 /nfs/dbraw/zinc/74/32/75/643743275.db2.gz ACOJLZRLIYZXQL-HIFRSBDPSA-N 2 1 289.423 2.104 20 0 CEADMP Cc1csc(C[C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000923552087 643758867 /nfs/dbraw/zinc/75/88/67/643758867.db2.gz SVASZPCJKWAUIP-KGLIPLIRSA-N 2 1 279.453 2.316 20 0 CEADMP O=C1C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CCCN1 ZINC000877732818 650876339 /nfs/dbraw/zinc/87/63/39/650876339.db2.gz KLPPUPHVTOHMJK-GOEBONIOSA-N 2 1 293.455 2.042 20 0 CEADMP O=C1C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CCCN1 ZINC000877732818 650876342 /nfs/dbraw/zinc/87/63/42/650876342.db2.gz KLPPUPHVTOHMJK-GOEBONIOSA-N 2 1 293.455 2.042 20 0 CEADMP COC1(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CCCCC1 ZINC000877740221 650882111 /nfs/dbraw/zinc/88/21/11/650882111.db2.gz JCTRZBKVJYDSSX-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP COC1(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CCCCC1 ZINC000877740221 650882115 /nfs/dbraw/zinc/88/21/15/650882115.db2.gz JCTRZBKVJYDSSX-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP COC1(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CCCCC1 ZINC000877740221 650882117 /nfs/dbraw/zinc/88/21/17/650882117.db2.gz JCTRZBKVJYDSSX-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000877744353 650889807 /nfs/dbraw/zinc/88/98/07/650889807.db2.gz RXBYJFSNHDVJST-HOTGVXAUSA-N 2 1 272.392 2.148 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000877744353 650889811 /nfs/dbraw/zinc/88/98/11/650889811.db2.gz RXBYJFSNHDVJST-HOTGVXAUSA-N 2 1 272.392 2.148 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000877744353 650889816 /nfs/dbraw/zinc/88/98/16/650889816.db2.gz RXBYJFSNHDVJST-HOTGVXAUSA-N 2 1 272.392 2.148 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000877744353 650889819 /nfs/dbraw/zinc/88/98/19/650889819.db2.gz RXBYJFSNHDVJST-HOTGVXAUSA-N 2 1 272.392 2.148 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000839064876 644136552 /nfs/dbraw/zinc/13/65/52/644136552.db2.gz YAFPNEKVJXGIIT-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839183126 644182526 /nfs/dbraw/zinc/18/25/26/644182526.db2.gz UJXIPJZYPQIXOR-AWEZNQCLSA-N 2 1 284.444 2.287 20 0 CEADMP CC(C)C[N@@H+](Cc1csnn1)CC1CC[NH+](C)CC1 ZINC000877767911 650903414 /nfs/dbraw/zinc/90/34/14/650903414.db2.gz YPXXVKINZLRFSC-UHFFFAOYSA-N 2 1 282.457 2.338 20 0 CEADMP CC(C)C[N@H+](Cc1csnn1)CC1CC[NH+](C)CC1 ZINC000877767911 650903416 /nfs/dbraw/zinc/90/34/16/650903416.db2.gz YPXXVKINZLRFSC-UHFFFAOYSA-N 2 1 282.457 2.338 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000806140642 644428058 /nfs/dbraw/zinc/42/80/58/644428058.db2.gz ZGULISZHICGCMH-GVDBMIGSSA-N 2 1 278.440 2.408 20 0 CEADMP CCOc1cncc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000856771709 644718378 /nfs/dbraw/zinc/71/83/78/644718378.db2.gz KRZHBMBVRLWZMO-LSDHHAIUSA-N 2 1 277.412 2.443 20 0 CEADMP C[C@H](C[NH2+]Cc1ccnc(F)c1)C[NH+]1CCCC1 ZINC000858100886 645061724 /nfs/dbraw/zinc/06/17/24/645061724.db2.gz QXUQYQCCFNIGGF-GFCCVEGCSA-N 2 1 251.349 2.042 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2F)CC1(C)C ZINC000858105528 645061923 /nfs/dbraw/zinc/06/19/23/645061923.db2.gz PWFXWSBYXGFUGC-DOMZBBRYSA-N 2 1 280.387 2.322 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2F)CC1(C)C ZINC000858105528 645061926 /nfs/dbraw/zinc/06/19/26/645061926.db2.gz PWFXWSBYXGFUGC-DOMZBBRYSA-N 2 1 280.387 2.322 20 0 CEADMP COc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000858133766 645070724 /nfs/dbraw/zinc/07/07/24/645070724.db2.gz XGOIJZGSCAKHHA-GDBMZVCRSA-N 2 1 292.423 2.191 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccsc2)CC1(C)C ZINC000858142827 645072806 /nfs/dbraw/zinc/07/28/06/645072806.db2.gz NXDDUAMVEMTJIE-ZFWWWQNUSA-N 2 1 282.453 2.418 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@](C)(O)c2cccs2)CC1(C)C ZINC000858142915 645072941 /nfs/dbraw/zinc/07/29/41/645072941.db2.gz QYCLBQIZCDLMMP-IUODEOHRSA-N 2 1 282.453 2.418 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000858246103 645097983 /nfs/dbraw/zinc/09/79/83/645097983.db2.gz UUFBAACLKWNPNH-CQSZACIVSA-N 2 1 272.396 2.384 20 0 CEADMP CC1(C)CCC[N@@H+](CCNc2cc[nH+]c(CO)c2)C1 ZINC000858516915 645188696 /nfs/dbraw/zinc/18/86/96/645188696.db2.gz NICUJFQKJVBFSO-UHFFFAOYSA-N 2 1 263.385 2.108 20 0 CEADMP CN(CCC[N@@H+](C)Cc1ccco1)c1cc[nH+]c(CO)c1 ZINC000858545296 645196376 /nfs/dbraw/zinc/19/63/76/645196376.db2.gz NBEAMFAUFIQJOF-UHFFFAOYSA-N 2 1 289.379 2.125 20 0 CEADMP OCc1cc(NC[C@H]2CC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000858635118 645226988 /nfs/dbraw/zinc/22/69/88/645226988.db2.gz VJMSOOVTLSYTDW-QGZVFWFLSA-N 2 1 283.375 2.260 20 0 CEADMP Cc1cc(NC[C@H]2CC[N@H+]2C2CCCCC2)nc(N)[nH+]1 ZINC000858681519 645236537 /nfs/dbraw/zinc/23/65/37/645236537.db2.gz JNBBBTBWROROKX-CYBMUJFWSA-N 2 1 275.400 2.186 20 0 CEADMP OCc1cc(NC[C@H]2CC[N@H+]2C2CCCCC2)cc[nH+]1 ZINC000858683676 645237715 /nfs/dbraw/zinc/23/77/15/645237715.db2.gz VYRKVESDOWDGSC-MRXNPFEDSA-N 2 1 275.396 2.393 20 0 CEADMP CCCn1cc[nH+]c1CCCN(C)CN1CCSC1=O ZINC000762072419 645360313 /nfs/dbraw/zinc/36/03/13/645360313.db2.gz BVYCJFCAPPZAIR-UHFFFAOYSA-N 2 1 296.440 2.284 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H](C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000765255012 645749091 /nfs/dbraw/zinc/74/90/91/645749091.db2.gz NYXXQYOKRVDYOV-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCCCC2)[C@@H](C)C1 ZINC000765255012 645749093 /nfs/dbraw/zinc/74/90/93/645749093.db2.gz NYXXQYOKRVDYOV-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCCCC2)[C@@H](C)C1 ZINC000765255012 645749095 /nfs/dbraw/zinc/74/90/95/645749095.db2.gz NYXXQYOKRVDYOV-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CCN(CC)C(=O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000765333206 645757160 /nfs/dbraw/zinc/75/71/60/645757160.db2.gz KMUWSGNBYYIYCP-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000878236283 651042538 /nfs/dbraw/zinc/04/25/38/651042538.db2.gz WPNZYCLKFLYNBB-INIZCTEOSA-N 2 1 296.455 2.035 20 0 CEADMP Cc1conc1C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000878284767 651052465 /nfs/dbraw/zinc/05/24/65/651052465.db2.gz VNTFTCNNKURFDE-RISCZKNCSA-N 2 1 260.341 2.263 20 0 CEADMP Cc1conc1C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000878284768 651052549 /nfs/dbraw/zinc/05/25/49/651052549.db2.gz VNTFTCNNKURFDE-SMDDNHRTSA-N 2 1 260.341 2.263 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000768840188 646171321 /nfs/dbraw/zinc/17/13/21/646171321.db2.gz ARIFACXCUBJVEN-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000768840188 646171326 /nfs/dbraw/zinc/17/13/26/646171326.db2.gz ARIFACXCUBJVEN-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000768840188 646171331 /nfs/dbraw/zinc/17/13/31/646171331.db2.gz ARIFACXCUBJVEN-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000768840188 646171335 /nfs/dbraw/zinc/17/13/35/646171335.db2.gz ARIFACXCUBJVEN-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP CC[N@@H+](CCCNC(=O)N(C)C[C@@H](C)[NH3+])C1CCCCC1 ZINC000861648836 646238734 /nfs/dbraw/zinc/23/87/34/646238734.db2.gz XSSLHSMMKMBLJS-CQSZACIVSA-N 2 1 298.475 2.020 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000862483324 646474446 /nfs/dbraw/zinc/47/44/46/646474446.db2.gz SJCINIZYWCIYAB-AWEZNQCLSA-N 2 1 284.444 2.287 20 0 CEADMP CC[NH+](CC)CCOC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000772141078 646597430 /nfs/dbraw/zinc/59/74/30/646597430.db2.gz DSZBEOOCUQIOBC-HZSPNIEDSA-N 2 1 270.417 2.133 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C[NH2+]1 ZINC000863544863 646753069 /nfs/dbraw/zinc/75/30/69/646753069.db2.gz DACIISNYBONCLW-FHUSYTEZSA-N 2 1 272.483 2.096 20 0 CEADMP COc1cccc2cc(C[NH2+]CC3([NH3+])CCOCC3)oc21 ZINC000863646410 646776416 /nfs/dbraw/zinc/77/64/16/646776416.db2.gz SILNVFJZDCVPAL-UHFFFAOYSA-N 2 1 290.363 2.039 20 0 CEADMP CCC[N@@H+]1CC[C@@H](CNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000774515617 646856244 /nfs/dbraw/zinc/85/62/44/646856244.db2.gz BKTIVYHBBUDICC-AWEZNQCLSA-N 2 1 289.427 2.221 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000774515617 646856246 /nfs/dbraw/zinc/85/62/46/646856246.db2.gz BKTIVYHBBUDICC-AWEZNQCLSA-N 2 1 289.427 2.221 20 0 CEADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000864453477 647009099 /nfs/dbraw/zinc/00/90/99/647009099.db2.gz WTNIIICWFXRZOK-RDBSUJKOSA-N 2 1 266.433 2.021 20 0 CEADMP Cn1c(Cl)nc(Cl)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000776259063 647043553 /nfs/dbraw/zinc/04/35/53/647043553.db2.gz ZCTDJMXOEUPTGS-UHFFFAOYSA-N 2 1 289.210 2.078 20 0 CEADMP Cn1c(Cl)nc(Cl)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000776259063 647043554 /nfs/dbraw/zinc/04/35/54/647043554.db2.gz ZCTDJMXOEUPTGS-UHFFFAOYSA-N 2 1 289.210 2.078 20 0 CEADMP CCCn1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)nn1 ZINC000865415328 647282982 /nfs/dbraw/zinc/28/29/82/647282982.db2.gz LJFKJLROJULMEN-OAHLLOKOSA-N 2 1 293.459 2.290 20 0 CEADMP C[N@@H+](CCNc1cc[nH+]cc1C(F)(F)F)C1CC1 ZINC000865465425 647306679 /nfs/dbraw/zinc/30/66/79/647306679.db2.gz ZMKHEQORDXEZEV-UHFFFAOYSA-N 2 1 259.275 2.028 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865567420 647363047 /nfs/dbraw/zinc/36/30/47/647363047.db2.gz LLEQNVIEKZWYEX-JCYILVPMSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865567420 647363054 /nfs/dbraw/zinc/36/30/54/647363054.db2.gz LLEQNVIEKZWYEX-JCYILVPMSA-N 2 1 295.471 2.145 20 0 CEADMP CC1(C)CC[C@@H](O)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000865699605 647430489 /nfs/dbraw/zinc/43/04/89/647430489.db2.gz CPKNOUIBVUKKOS-KBUPBQIOSA-N 2 1 266.429 2.142 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(F)c2)CC1(C)C ZINC000865722182 647439722 /nfs/dbraw/zinc/43/97/22/647439722.db2.gz FVNVOQJZGKVERV-LBPRGKRZSA-N 2 1 251.349 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(F)c2)CC1(C)C ZINC000865722182 647439724 /nfs/dbraw/zinc/43/97/24/647439724.db2.gz FVNVOQJZGKVERV-LBPRGKRZSA-N 2 1 251.349 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC3(CO2)CCOCC3)CC1(C)C ZINC000865778181 647461048 /nfs/dbraw/zinc/46/10/48/647461048.db2.gz GUPCXMZAYYJJQQ-GJZGRUSLSA-N 2 1 296.455 2.035 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000865876513 647517928 /nfs/dbraw/zinc/51/79/28/647517928.db2.gz WBXQGPVOMGYSQF-MRXNPFEDSA-N 2 1 277.412 2.178 20 0 CEADMP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]cc3Cl)CC[C@@H]21 ZINC000866207167 647670451 /nfs/dbraw/zinc/67/04/51/647670451.db2.gz VPASLSCRYPWHAI-JQWIXIFHSA-N 2 1 251.761 2.265 20 0 CEADMP C[N@H+]1CC[C@H]2CN(c3cc[nH+]cc3Cl)CC[C@@H]21 ZINC000866207167 647670454 /nfs/dbraw/zinc/67/04/54/647670454.db2.gz VPASLSCRYPWHAI-JQWIXIFHSA-N 2 1 251.761 2.265 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@@H]2C)cn1 ZINC000783219928 647695704 /nfs/dbraw/zinc/69/57/04/647695704.db2.gz BTKLNKBYFOUDDJ-SMDDNHRTSA-N 2 1 256.353 2.464 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC23CCOCC3)CC[N@H+]1C ZINC000866529338 647816989 /nfs/dbraw/zinc/81/69/89/647816989.db2.gz OUOYSUCSRKPTAV-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1)C(C)C ZINC000866704574 647875872 /nfs/dbraw/zinc/87/58/72/647875872.db2.gz WAPVBJIVCGCQQB-KRWDZBQOSA-N 2 1 297.487 2.329 20 0 CEADMP COc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1 ZINC000866705043 647876962 /nfs/dbraw/zinc/87/69/62/647876962.db2.gz ZMEBOAZLVLAHKQ-YOEHRIQHSA-N 2 1 290.407 2.068 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000791478675 648530691 /nfs/dbraw/zinc/53/06/91/648530691.db2.gz YRYCUTSOZZJLJK-DJIMGWMZSA-N 2 1 276.424 2.382 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000791478675 648530692 /nfs/dbraw/zinc/53/06/92/648530692.db2.gz YRYCUTSOZZJLJK-DJIMGWMZSA-N 2 1 276.424 2.382 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000791478675 648530699 /nfs/dbraw/zinc/53/06/99/648530699.db2.gz YRYCUTSOZZJLJK-DJIMGWMZSA-N 2 1 276.424 2.382 20 0 CEADMP Cc1nc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)oc1C ZINC000871785653 649184222 /nfs/dbraw/zinc/18/42/22/649184222.db2.gz LGGSWGOHXFNWGD-YHWZYXNKSA-N 2 1 292.383 2.163 20 0 CEADMP Cc1nc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)oc1C ZINC000871785653 649184226 /nfs/dbraw/zinc/18/42/26/649184226.db2.gz LGGSWGOHXFNWGD-YHWZYXNKSA-N 2 1 292.383 2.163 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)[C@@H]1CCCOC1 ZINC000872025881 649244671 /nfs/dbraw/zinc/24/46/71/649244671.db2.gz VHNDBUJGLADYBX-ZNMIVQPWSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000872125715 649285131 /nfs/dbraw/zinc/28/51/31/649285131.db2.gz BRJDYYYCEGYKDY-VDHUWJSZSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000872125715 649285132 /nfs/dbraw/zinc/28/51/32/649285132.db2.gz BRJDYYYCEGYKDY-VDHUWJSZSA-N 2 1 288.435 2.400 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H]1CC2(CCC2)CO1 ZINC000872141483 649290473 /nfs/dbraw/zinc/29/04/73/649290473.db2.gz JFVWHCXUYAZMFJ-JALIKCBVSA-N 2 1 264.413 2.290 20 0 CEADMP C([C@H]1CC2(CCC2)CO1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000872142238 649291606 /nfs/dbraw/zinc/29/16/06/649291606.db2.gz OUDZHJYTRATHSZ-OAHLLOKOSA-N 2 1 264.413 2.162 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000872143620 649292992 /nfs/dbraw/zinc/29/29/92/649292992.db2.gz UXBBQPZDLZSLJB-WRQOLXDDSA-N 2 1 278.440 2.408 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC4(CCC4)CO3)C[C@@H]21 ZINC000872143493 649293156 /nfs/dbraw/zinc/29/31/56/649293156.db2.gz NZDZRXUOXNBAOM-CBBWQLFWSA-N 2 1 264.413 2.005 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCOCC3)[C@@H]1CC[NH3+] ZINC000872145366 649295422 /nfs/dbraw/zinc/29/54/22/649295422.db2.gz RRMYAFUIXHWXOG-BZUAXINKSA-N 2 1 296.455 2.021 20 0 CEADMP COCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156219 649299249 /nfs/dbraw/zinc/29/92/49/649299249.db2.gz GJSCSRKXALBRQF-HIFRSBDPSA-N 2 1 254.418 2.252 20 0 CEADMP Cn1c2cc(C[N@@H+](C)CCCCCC[NH3+])ccc2oc1=O ZINC000872158933 649300500 /nfs/dbraw/zinc/30/05/00/649300500.db2.gz ZKAREJZTWKDKND-UHFFFAOYSA-N 2 1 291.395 2.082 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000872259103 649330588 /nfs/dbraw/zinc/33/05/88/649330588.db2.gz LKPXQHUYYAAVGV-XHSDSOJGSA-N 2 1 291.439 2.453 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000872259103 649330589 /nfs/dbraw/zinc/33/05/89/649330589.db2.gz LKPXQHUYYAAVGV-XHSDSOJGSA-N 2 1 291.439 2.453 20 0 CEADMP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2C2CC2)C[N@H+]1C1CC1 ZINC000872476855 649400516 /nfs/dbraw/zinc/40/05/16/649400516.db2.gz ARUSDVFWHDLTSI-DGCLKSJQSA-N 2 1 257.381 2.418 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1C[NH3+] ZINC000873213592 649592475 /nfs/dbraw/zinc/59/24/75/649592475.db2.gz INPCBWOSARKFIT-MBNYWOFBSA-N 3 1 293.480 2.199 20 0 CEADMP C[C@@H]1C[C@H](C)N(Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1C[NH3+] ZINC000873213592 649592479 /nfs/dbraw/zinc/59/24/79/649592479.db2.gz INPCBWOSARKFIT-MBNYWOFBSA-N 2 1 293.480 2.199 20 0 CEADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000873219906 649594604 /nfs/dbraw/zinc/59/46/04/649594604.db2.gz HGWMQVIZWHNUHN-JLSDUUJJSA-N 3 1 287.451 2.457 20 0 CEADMP Cc1csc([C@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000873227106 649598381 /nfs/dbraw/zinc/59/83/81/649598381.db2.gz HDSCVORKURPHRJ-JSGCOSHPSA-N 2 1 265.426 2.240 20 0 CEADMP C[C@H](O)c1ncc(C[N@@H+](C)CCCCCC[NH3+])s1 ZINC000873231514 649602903 /nfs/dbraw/zinc/60/29/03/649602903.db2.gz LXAHTTDCLJNQIN-NSHDSACASA-N 2 1 271.430 2.147 20 0 CEADMP C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000873276348 649621979 /nfs/dbraw/zinc/62/19/79/649621979.db2.gz SMDYHLBQOZJAFQ-RDBSUJKOSA-N 2 1 252.402 2.208 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1)C1C[NH2+]C1 ZINC000873296268 649631726 /nfs/dbraw/zinc/63/17/26/649631726.db2.gz DWYIORYLDARKRM-DTWKUNHWSA-N 2 1 273.302 2.359 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000873296483 649631840 /nfs/dbraw/zinc/63/18/40/649631840.db2.gz GRHBAGVLJUBYHC-OAGGEKHMSA-N 2 1 296.842 2.364 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2Cc3ccccc3C[NH2+]2)[C@H]2CCC[C@H]21 ZINC000873296961 649632542 /nfs/dbraw/zinc/63/25/42/649632542.db2.gz OKWNFGCAGRMESA-ZSYWTGECSA-N 2 1 299.462 2.163 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CN2)[C@H]2CCC[C@H]21 ZINC000873296961 649632544 /nfs/dbraw/zinc/63/25/44/649632544.db2.gz OKWNFGCAGRMESA-ZSYWTGECSA-N 2 1 299.462 2.163 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CN2)[C@H]2CCC[C@H]21 ZINC000873296961 649632546 /nfs/dbraw/zinc/63/25/46/649632546.db2.gz OKWNFGCAGRMESA-ZSYWTGECSA-N 2 1 299.462 2.163 20 0 CEADMP COCC[N@@H+](CC[C@H]1CCCCO1)CC1CC[NH+](C)CC1 ZINC000879127155 651247637 /nfs/dbraw/zinc/24/76/37/651247637.db2.gz SHLQHNPAHWLUNO-QGZVFWFLSA-N 2 1 298.471 2.236 20 0 CEADMP CCCc1noc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC000879247214 651269686 /nfs/dbraw/zinc/26/96/86/651269686.db2.gz PZSRGCVQPYZYBS-UHFFFAOYSA-N 2 1 292.427 2.330 20 0 CEADMP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H](O)CN1CCCC1 ZINC000879386257 651296134 /nfs/dbraw/zinc/29/61/34/651296134.db2.gz CMAQIZXXZOQVJZ-CVEARBPZSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](O)CN1CCCC1 ZINC000879386257 651296136 /nfs/dbraw/zinc/29/61/36/651296136.db2.gz CMAQIZXXZOQVJZ-CVEARBPZSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000879386257 651296139 /nfs/dbraw/zinc/29/61/39/651296139.db2.gz CMAQIZXXZOQVJZ-CVEARBPZSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000879386257 651296141 /nfs/dbraw/zinc/29/61/41/651296141.db2.gz CMAQIZXXZOQVJZ-CVEARBPZSA-N 2 1 276.424 2.445 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOc3ccccc3)CC[C@H]21 ZINC000879572950 651324280 /nfs/dbraw/zinc/32/42/80/651324280.db2.gz SKQXBQOGGVPKLF-GDBMZVCRSA-N 2 1 260.381 2.091 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCOc3ccccc3)CC[C@H]21 ZINC000879572950 651324282 /nfs/dbraw/zinc/32/42/82/651324282.db2.gz SKQXBQOGGVPKLF-GDBMZVCRSA-N 2 1 260.381 2.091 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCOc3ccccc3)CC[C@H]21 ZINC000879572950 651324284 /nfs/dbraw/zinc/32/42/84/651324284.db2.gz SKQXBQOGGVPKLF-GDBMZVCRSA-N 2 1 260.381 2.091 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3ccccc3)CC[C@H]21 ZINC000879572950 651324286 /nfs/dbraw/zinc/32/42/86/651324286.db2.gz SKQXBQOGGVPKLF-GDBMZVCRSA-N 2 1 260.381 2.091 20 0 CEADMP Cc1cccc(OCC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000879572987 651324970 /nfs/dbraw/zinc/32/49/70/651324970.db2.gz SYGSXSUZMPUHFU-NVXWUHKLSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1cccc(OCC[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000879572987 651324972 /nfs/dbraw/zinc/32/49/72/651324972.db2.gz SYGSXSUZMPUHFU-NVXWUHKLSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879572987 651324973 /nfs/dbraw/zinc/32/49/73/651324973.db2.gz SYGSXSUZMPUHFU-NVXWUHKLSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879572987 651324975 /nfs/dbraw/zinc/32/49/75/651324975.db2.gz SYGSXSUZMPUHFU-NVXWUHKLSA-N 2 1 274.408 2.400 20 0 CEADMP COc1cccc(OCC[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879578738 651325966 /nfs/dbraw/zinc/32/59/66/651325966.db2.gz VQIJKUNZFBKKMJ-RHSMWYFYSA-N 2 1 290.407 2.100 20 0 CEADMP COc1cccc(OCC[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879578738 651325967 /nfs/dbraw/zinc/32/59/67/651325967.db2.gz VQIJKUNZFBKKMJ-RHSMWYFYSA-N 2 1 290.407 2.100 20 0 CEADMP COc1cccc(OCC[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000879578738 651325968 /nfs/dbraw/zinc/32/59/68/651325968.db2.gz VQIJKUNZFBKKMJ-RHSMWYFYSA-N 2 1 290.407 2.100 20 0 CEADMP COc1cccc(OCC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000879578738 651325969 /nfs/dbraw/zinc/32/59/69/651325969.db2.gz VQIJKUNZFBKKMJ-RHSMWYFYSA-N 2 1 290.407 2.100 20 0 CEADMP COCC[N@H+](CCCCn1cc[nH+]c1C)C1CCOCC1 ZINC000879710255 651342084 /nfs/dbraw/zinc/34/20/84/651342084.db2.gz SANLPBXHSATSKF-UHFFFAOYSA-N 2 1 295.427 2.099 20 0 CEADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)C1CCOCC1 ZINC000879710255 651342087 /nfs/dbraw/zinc/34/20/87/651342087.db2.gz SANLPBXHSATSKF-UHFFFAOYSA-N 2 1 295.427 2.099 20 0 CEADMP CCn1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cn1 ZINC000880259655 651411604 /nfs/dbraw/zinc/41/16/04/651411604.db2.gz YKZVSVMNADCBMU-AWEZNQCLSA-N 2 1 285.395 2.009 20 0 CEADMP CCn1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cn1 ZINC000880259655 651411606 /nfs/dbraw/zinc/41/16/06/651411606.db2.gz YKZVSVMNADCBMU-AWEZNQCLSA-N 2 1 285.395 2.009 20 0 CEADMP CO[C@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)C1CC1 ZINC000880259691 651411821 /nfs/dbraw/zinc/41/18/21/651411821.db2.gz ZFBUDRXRMCAXFN-CZUORRHYSA-N 2 1 275.396 2.017 20 0 CEADMP CCn1cc(CC[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cn1 ZINC000880260251 651412042 /nfs/dbraw/zinc/41/20/42/651412042.db2.gz OWCWJWYZNJNXGL-HNNXBMFYSA-N 2 1 299.422 2.051 20 0 CEADMP COCCCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880263495 651412763 /nfs/dbraw/zinc/41/27/63/651412763.db2.gz YLPPZFBDONQDMD-HNNXBMFYSA-N 2 1 277.412 2.409 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@H](OC)C2)[C@@H](C)C1 ZINC000883270235 652419646 /nfs/dbraw/zinc/41/96/46/652419646.db2.gz IZVRBMJYUAHBAA-LUKYLMHMSA-N 2 1 298.471 2.138 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](COC)C2)[C@H](C)C1 ZINC000883320130 652432207 /nfs/dbraw/zinc/43/22/07/652432207.db2.gz BVBJQECWWBLZQH-NCOADZHNSA-N 2 1 298.471 2.138 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC3(COC3)CC2)[C@H](C)C1 ZINC000883378473 652449533 /nfs/dbraw/zinc/44/95/33/652449533.db2.gz NAAQOYYTYMVRDU-HIFRSBDPSA-N 2 1 266.429 2.266 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(CCOCC2)CO1 ZINC000883427912 652465914 /nfs/dbraw/zinc/46/59/14/652465914.db2.gz GIABIYJWODZBQU-JKSUJKDBSA-N 2 1 296.455 2.166 20 0 CEADMP CC1(C)C[C@@H](C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C(C)(C)O1 ZINC000883428931 652466380 /nfs/dbraw/zinc/46/63/80/652466380.db2.gz GYVOTIISYAIIQL-MELADBBJSA-N 2 1 266.429 2.264 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C(C)(C)O1 ZINC000883428931 652466384 /nfs/dbraw/zinc/46/63/84/652466384.db2.gz GYVOTIISYAIIQL-MELADBBJSA-N 2 1 266.429 2.264 20 0 CEADMP C=C/C=C\CC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000883434438 652468850 /nfs/dbraw/zinc/46/88/50/652468850.db2.gz RDKHNUOFYXCOFA-DOALTHTJSA-N 2 1 264.413 2.337 20 0 CEADMP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@H](OC)C1CCCC1 ZINC000883450834 652474280 /nfs/dbraw/zinc/47/42/80/652474280.db2.gz ZCAWSNGOJIJUIU-CABCVRRESA-N 2 1 254.418 2.266 20 0 CEADMP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@H](OC)C1CCCC1 ZINC000883450834 652474283 /nfs/dbraw/zinc/47/42/83/652474283.db2.gz ZCAWSNGOJIJUIU-CABCVRRESA-N 2 1 254.418 2.266 20 0 CEADMP O=C(CC[N@H+]1CC[NH2+]CCC12CCC2)Nc1ccccc1 ZINC000883457420 652476549 /nfs/dbraw/zinc/47/65/49/652476549.db2.gz CNTHNDWHPVEBQT-UHFFFAOYSA-N 2 1 287.407 2.233 20 0 CEADMP CC[N@@H+]1CCCC[C@@H]1C(=O)OCCC[NH+]1CCCCC1 ZINC000800171206 652671230 /nfs/dbraw/zinc/67/12/30/652671230.db2.gz AETOMSJVXJAIIL-OAHLLOKOSA-N 2 1 282.428 2.280 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)OCCC[NH+]1CCCCC1 ZINC000800171206 652671235 /nfs/dbraw/zinc/67/12/35/652671235.db2.gz AETOMSJVXJAIIL-OAHLLOKOSA-N 2 1 282.428 2.280 20 0 CEADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000133683626 652704010 /nfs/dbraw/zinc/70/40/10/652704010.db2.gz TYKBUBYZGULADT-QWHCGFSZSA-N 2 1 278.396 2.497 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@H]1C[NH2+]CC1(C)C)C1CCCCC1 ZINC000884189515 652746840 /nfs/dbraw/zinc/74/68/40/652746840.db2.gz HIKGBIBHNVGNQX-OAHLLOKOSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884220896 652756578 /nfs/dbraw/zinc/75/65/78/652756578.db2.gz DWXLYSVCFSGJLN-CABCVRRESA-N 2 1 297.487 2.377 20 0 CEADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(N2CCCC2)cc[nH+]1 ZINC001164637089 719218524 /nfs/dbraw/zinc/21/85/24/719218524.db2.gz KUCUVUZQTJGGCP-KBPBESRZSA-N 2 1 274.412 2.211 20 0 CEADMP Cc1c[nH]c2nc[nH+]c(N3CCC(C[NH+](C)C)CC3)c12 ZINC001165043159 721942242 /nfs/dbraw/zinc/94/22/42/721942242.db2.gz WVMNNHGGYSXFLB-UHFFFAOYSA-N 2 1 273.384 2.044 20 0 CEADMP CCN(C)c1cc[nH+]c(N2CCC([NH+](CC)CC)CC2)n1 ZINC001165051287 722000047 /nfs/dbraw/zinc/00/00/47/722000047.db2.gz DXLUCNZOVOGDIO-UHFFFAOYSA-N 2 1 291.443 2.243 20 0 CEADMP C[NH+](C)C1(C)CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167994706 805596813 /nfs/dbraw/zinc/59/68/13/805596813.db2.gz LRCLYVQSABLCFG-XYPWUTKMSA-N 2 1 277.456 2.028 20 0 CEADMP CN(CC[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995027 805597311 /nfs/dbraw/zinc/59/73/11/805597311.db2.gz UMYDBJPFQVXYAM-JWTNVVGKSA-N 2 1 291.483 2.419 20 0 CEADMP C[C@@H]1C[C@@H](O)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994529 805598626 /nfs/dbraw/zinc/59/86/26/805598626.db2.gz HSPQUZHWMYJYEB-HYMJZGCSSA-N 2 1 278.440 2.237 20 0 CEADMP C[C@@H]1C[C@@H](O)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994529 805598631 /nfs/dbraw/zinc/59/86/31/805598631.db2.gz HSPQUZHWMYJYEB-HYMJZGCSSA-N 2 1 278.440 2.237 20 0 CEADMP C[C@@H]1C[C@@H](O)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994529 805598635 /nfs/dbraw/zinc/59/86/35/805598635.db2.gz HSPQUZHWMYJYEB-HYMJZGCSSA-N 2 1 278.440 2.237 20 0 CEADMP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC[C@]13CCOC3)C2 ZINC001168001332 805632959 /nfs/dbraw/zinc/63/29/59/805632959.db2.gz AODHTVFPPFZFPH-FCLJQHQZSA-N 2 1 276.424 2.257 20 0 CEADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC[C@]13CCOC3)C2 ZINC001168001332 805632961 /nfs/dbraw/zinc/63/29/61/805632961.db2.gz AODHTVFPPFZFPH-FCLJQHQZSA-N 2 1 276.424 2.257 20 0 CEADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CC[C@]13CCOC3)C2 ZINC001168001332 805632963 /nfs/dbraw/zinc/63/29/63/805632963.db2.gz AODHTVFPPFZFPH-FCLJQHQZSA-N 2 1 276.424 2.257 20 0 CEADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CC[C@]13CCOC3)C2 ZINC001168001332 805632967 /nfs/dbraw/zinc/63/29/67/805632967.db2.gz AODHTVFPPFZFPH-FCLJQHQZSA-N 2 1 276.424 2.257 20 0 CEADMP C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005240 805656669 /nfs/dbraw/zinc/65/66/69/805656669.db2.gz ICRGGKPINAZPRV-PNBKFKSVSA-N 2 1 276.424 2.398 20 0 CEADMP C[C@]1([NH3+])CC[N@H+](CCCCOCc2ccccc2)C1 ZINC001204763915 805752006 /nfs/dbraw/zinc/75/20/06/805752006.db2.gz SGHMTYYKZJRNNM-INIZCTEOSA-N 2 1 262.397 2.407 20 0 CEADMP C[C@]1([NH3+])CC[N@@H+](CCCCOCc2ccccc2)C1 ZINC001204763915 805752010 /nfs/dbraw/zinc/75/20/10/805752010.db2.gz SGHMTYYKZJRNNM-INIZCTEOSA-N 2 1 262.397 2.407 20 0 CEADMP CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CCC ZINC001271750923 806078033 /nfs/dbraw/zinc/07/80/33/806078033.db2.gz LSRZNLXKRBBRDE-HOTGVXAUSA-N 2 1 297.487 2.345 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@](C)(O)C2)CC1 ZINC001168314666 806646060 /nfs/dbraw/zinc/64/60/60/806646060.db2.gz OBZNZKOLZMEIJA-NRXISQOPSA-N 2 1 254.418 2.096 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@H]3OCCC[C@H]3C2)CC1 ZINC001168315887 806647245 /nfs/dbraw/zinc/64/72/45/806647245.db2.gz PPFDBFKVXJGSOZ-SLTXQBBLSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](C)C1CCC([NH+]2CC(Oc3cccnc3)C2)CC1 ZINC001168324207 806653550 /nfs/dbraw/zinc/65/35/50/806653550.db2.gz KDHRSJABIJTGIR-UHFFFAOYSA-N 2 1 275.396 2.017 20 0 CEADMP C[NH+](C)C1CCC([N@@H+]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001168327318 806657187 /nfs/dbraw/zinc/65/71/87/806657187.db2.gz JLLSBZBPIDJLHL-MCIGGMRASA-N 2 1 280.334 2.122 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001168327318 806657190 /nfs/dbraw/zinc/65/71/90/806657190.db2.gz JLLSBZBPIDJLHL-MCIGGMRASA-N 2 1 280.334 2.122 20 0 CEADMP C[NH+](C)C1CCC([NH+]2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001168328465 806658052 /nfs/dbraw/zinc/65/80/52/806658052.db2.gz HOQQYBYQWYZSIN-UHFFFAOYSA-N 3 1 279.472 2.418 20 0 CEADMP C[NH+](C)C1CCC(N2CCC([N@H+](C)C3CC3)CC2)CC1 ZINC001168328465 806658054 /nfs/dbraw/zinc/65/80/54/806658054.db2.gz HOQQYBYQWYZSIN-UHFFFAOYSA-N 2 1 279.472 2.418 20 0 CEADMP C[NH+](C)C1CCC(N2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001168328465 806658057 /nfs/dbraw/zinc/65/80/57/806658057.db2.gz HOQQYBYQWYZSIN-UHFFFAOYSA-N 2 1 279.472 2.418 20 0 CEADMP CN(C1CC1)C1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168328465 806658060 /nfs/dbraw/zinc/65/80/60/806658060.db2.gz HOQQYBYQWYZSIN-UHFFFAOYSA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC001173171236 815622630 /nfs/dbraw/zinc/62/26/30/815622630.db2.gz IWIPRSDSQMWGHN-CBBWQLFWSA-N 2 1 254.418 2.262 20 0 CEADMP CCN(CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208126816 802346130 /nfs/dbraw/zinc/34/61/30/802346130.db2.gz KCJMRIMPJVPSSQ-KRWDZBQOSA-N 2 1 275.440 2.144 20 0 CEADMP C[NH+](C)CC1(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CCCC1 ZINC001208186277 802378458 /nfs/dbraw/zinc/37/84/58/802378458.db2.gz SLIYDPLKEYLDIY-OKILXGFUSA-N 2 1 264.413 2.304 20 0 CEADMP C[NH+](C)CC1(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CCCC1 ZINC001208186277 802378463 /nfs/dbraw/zinc/37/84/63/802378463.db2.gz SLIYDPLKEYLDIY-OKILXGFUSA-N 2 1 264.413 2.304 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3[C@H](CCC3(F)F)C2)C1 ZINC001208608964 802389746 /nfs/dbraw/zinc/38/97/46/802389746.db2.gz XQPPWMKLSZHUKJ-XQQFMLRXSA-N 2 1 258.356 2.305 20 0 CEADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)C1 ZINC001208608964 802389755 /nfs/dbraw/zinc/38/97/55/802389755.db2.gz XQPPWMKLSZHUKJ-XQQFMLRXSA-N 2 1 258.356 2.305 20 0 CEADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)C1 ZINC001208608964 802389765 /nfs/dbraw/zinc/38/97/65/802389765.db2.gz XQPPWMKLSZHUKJ-XQQFMLRXSA-N 2 1 258.356 2.305 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNCc2ccc(O)c(F)c2)C1 ZINC000693029602 802555211 /nfs/dbraw/zinc/55/52/11/802555211.db2.gz AYPIKOWEBFEMKY-ZDUSSCGKSA-N 2 1 266.360 2.353 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000693029602 802555213 /nfs/dbraw/zinc/55/52/13/802555213.db2.gz AYPIKOWEBFEMKY-ZDUSSCGKSA-N 2 1 266.360 2.353 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000693029602 802555219 /nfs/dbraw/zinc/55/52/19/802555219.db2.gz AYPIKOWEBFEMKY-ZDUSSCGKSA-N 2 1 266.360 2.353 20 0 CEADMP CC/C=C\CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001266474884 802621367 /nfs/dbraw/zinc/62/13/67/802621367.db2.gz XZEQTISUZFGQEA-KSLSASGISA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001266474884 802621369 /nfs/dbraw/zinc/62/13/69/802621369.db2.gz XZEQTISUZFGQEA-KSLSASGISA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001266474884 802621371 /nfs/dbraw/zinc/62/13/71/802621371.db2.gz XZEQTISUZFGQEA-KSLSASGISA-N 2 1 293.455 2.018 20 0 CEADMP COc1ccc2[nH+]c(C)cc(N[C@H]3CC[N@@H+](C)C3)c2c1 ZINC001167278592 802625266 /nfs/dbraw/zinc/62/52/66/802625266.db2.gz NNOUWEBSHYSEIO-LBPRGKRZSA-N 2 1 271.364 2.090 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000693186483 802722566 /nfs/dbraw/zinc/72/25/66/802722566.db2.gz ZGDKHEOPHSAILH-AWEZNQCLSA-N 2 1 274.408 2.441 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000693186483 802722571 /nfs/dbraw/zinc/72/25/71/802722571.db2.gz ZGDKHEOPHSAILH-AWEZNQCLSA-N 2 1 274.408 2.441 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[C@H](C(F)(F)F)O3)C[C@H]21 ZINC000721447511 802792576 /nfs/dbraw/zinc/79/25/76/802792576.db2.gz IHCDESZBDDGMTR-NZEXEKPDSA-N 2 1 292.345 2.156 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001211278589 802807521 /nfs/dbraw/zinc/80/75/21/802807521.db2.gz SKDSHBAFSVUNJS-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000723085745 802834420 /nfs/dbraw/zinc/83/44/20/802834420.db2.gz CACRODABOMCEGQ-LMLFDSFASA-N 2 1 250.308 2.102 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000723686852 802925107 /nfs/dbraw/zinc/92/51/07/802925107.db2.gz PYINYKNYHFWYFY-HNNXBMFYSA-N 2 1 270.380 2.043 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]CCc2cc(F)cc(F)c2)C[NH2+]1 ZINC000398953749 802926813 /nfs/dbraw/zinc/92/68/13/802926813.db2.gz GBCIGHUDYMZJKT-IINYFYTJSA-N 2 1 254.324 2.237 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]CCCOCc2ccccc2)C[NH2+]1 ZINC000399025127 802936007 /nfs/dbraw/zinc/93/60/07/802936007.db2.gz GXTGMSABNMWVRY-HOCLYGCPSA-N 2 1 262.397 2.323 20 0 CEADMP CCC[N@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001266855373 802945591 /nfs/dbraw/zinc/94/55/91/802945591.db2.gz BENAVKHEBVNPKE-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1CC[NH3+] ZINC000723894239 802965607 /nfs/dbraw/zinc/96/56/07/802965607.db2.gz KJGYQTUBJMLZLK-CHWSQXEVSA-N 2 1 266.360 2.121 20 0 CEADMP CC(C)=CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001266909962 802989929 /nfs/dbraw/zinc/98/99/29/802989929.db2.gz MACHOOFTCAKLBA-UYSNPLJNSA-N 2 1 293.455 2.064 20 0 CEADMP FC(F)(F)[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)O1 ZINC000721489673 803037455 /nfs/dbraw/zinc/03/74/55/803037455.db2.gz DHYAMSJTVCXMNM-LPWJVIDDSA-N 2 1 292.345 2.313 20 0 CEADMP C[C@H]1CC[C@H](N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[NH2+]1 ZINC000707885392 803079242 /nfs/dbraw/zinc/07/92/42/803079242.db2.gz QLVJKWXLJPKSQV-KANFNMMFSA-N 2 1 299.462 2.191 20 0 CEADMP CCc1nc(C2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)no1 ZINC001207282777 803125127 /nfs/dbraw/zinc/12/51/27/803125127.db2.gz OBFFWTAWDNKWJV-UHFFFAOYSA-N 2 1 294.443 2.399 20 0 CEADMP C[NH+](C)CC(C)(C)CN1CCC([N@@H+](C)C2CC2)CC1 ZINC001207287803 803135678 /nfs/dbraw/zinc/13/56/78/803135678.db2.gz FXUXWAKITUTSRN-UHFFFAOYSA-N 2 1 267.461 2.133 20 0 CEADMP CCCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167580800 803155066 /nfs/dbraw/zinc/15/50/66/803155066.db2.gz JZIDCEKJZOYWQG-UHFFFAOYSA-N 2 1 294.443 2.293 20 0 CEADMP CC[C@H]([NH3+])CC[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246303573 813766683 /nfs/dbraw/zinc/76/66/83/813766683.db2.gz ABBKNCPBMCCTAQ-UONOGXRCSA-N 3 1 253.434 2.158 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](CCO)C2CCCC2)CC1 ZINC000725095330 803426361 /nfs/dbraw/zinc/42/63/61/803426361.db2.gz KLMXTLWLQPRYPR-OAHLLOKOSA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CCCC(C)C)CC[N@H+]1C ZINC001267374824 803426897 /nfs/dbraw/zinc/42/68/97/803426897.db2.gz NRIDNZRFXRGJGA-JKSUJKDBSA-N 2 1 297.487 2.201 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715394657 814952592 /nfs/dbraw/zinc/95/25/92/814952592.db2.gz OWTUDBOQOSKVKZ-KBPBESRZSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715394657 814952596 /nfs/dbraw/zinc/95/25/96/814952596.db2.gz OWTUDBOQOSKVKZ-KBPBESRZSA-N 2 1 252.402 2.018 20 0 CEADMP C([C@H]1CC[C@@H](C2CC2)O1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000715397305 814953252 /nfs/dbraw/zinc/95/32/52/814953252.db2.gz XCMJHDMXPISDLH-CABCVRRESA-N 2 1 264.413 2.162 20 0 CEADMP C([C@H]1CC[C@@H](C2CC2)O1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000715397305 814953260 /nfs/dbraw/zinc/95/32/60/814953260.db2.gz XCMJHDMXPISDLH-CABCVRRESA-N 2 1 264.413 2.162 20 0 CEADMP CCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267669125 803650561 /nfs/dbraw/zinc/65/05/61/803650561.db2.gz DAZRERVGXMOJKY-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267669125 803650565 /nfs/dbraw/zinc/65/05/65/803650565.db2.gz DAZRERVGXMOJKY-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267669125 803650568 /nfs/dbraw/zinc/65/05/68/803650568.db2.gz DAZRERVGXMOJKY-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC000724923605 803671247 /nfs/dbraw/zinc/67/12/47/803671247.db2.gz FUNZBQJNPMCXQW-UONOGXRCSA-N 2 1 297.443 2.070 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)CC[N@H+]1C ZINC000715477653 814958575 /nfs/dbraw/zinc/95/85/75/814958575.db2.gz BLMPQIXDDXWWTP-RZFFKMDDSA-N 2 1 252.402 2.016 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(C)C)C1 ZINC001104874045 803711755 /nfs/dbraw/zinc/71/17/55/803711755.db2.gz MGPFWJJCGFNHST-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267776371 803728521 /nfs/dbraw/zinc/72/85/21/803728521.db2.gz JXRJIFWJSRIBMT-OFTJQPPSSA-N 2 1 295.471 2.216 20 0 CEADMP C([C@H]1CC[C@@H](C2CC2)O1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000715383049 814962089 /nfs/dbraw/zinc/96/20/89/814962089.db2.gz GFTIOHFGABCAGR-CABCVRRESA-N 2 1 264.413 2.020 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CC[C@H](C2CC2)O1 ZINC000715385579 814963196 /nfs/dbraw/zinc/96/31/96/814963196.db2.gz KQGDIIZBFVVEPN-HUUCEWRRSA-N 2 1 254.418 2.395 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC[C@@H](C2CC2)O1)C1CC[NH2+]CC1 ZINC000715528180 814972306 /nfs/dbraw/zinc/97/23/06/814972306.db2.gz ANOXOELCAFIGFY-HOTGVXAUSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC000709452261 803867430 /nfs/dbraw/zinc/86/74/30/803867430.db2.gz PYBXYGPTUSBRNV-HYVNUMGLSA-N 2 1 274.408 2.418 20 0 CEADMP C([C@H]1CC[C@H](C2CC2)O1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000715540400 814974072 /nfs/dbraw/zinc/97/40/72/814974072.db2.gz VBIWDSWRWJZIJM-WCXIOVBPSA-N 2 1 278.440 2.408 20 0 CEADMP COC(=O)c1csc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000715582006 814974487 /nfs/dbraw/zinc/97/44/87/814974487.db2.gz WCIZWZHKKXRQDX-OLZOCXBDSA-N 2 1 296.436 2.497 20 0 CEADMP COc1c(F)ccc(F)c1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222542619 803898292 /nfs/dbraw/zinc/89/82/92/803898292.db2.gz IWJVVANZGWVZCF-UHFFFAOYSA-N 2 1 288.313 2.236 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)sn1 ZINC000715551839 814979110 /nfs/dbraw/zinc/97/91/10/814979110.db2.gz KICCLKZDIRJVSW-VXGBXAGGSA-N 2 1 253.415 2.414 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)C(C)C)C1 ZINC001027695482 804199004 /nfs/dbraw/zinc/19/90/04/804199004.db2.gz WKYWLYGFXUSUEU-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)C(C)C)C1 ZINC001027695482 804199010 /nfs/dbraw/zinc/19/90/10/804199010.db2.gz WKYWLYGFXUSUEU-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001027695482 804199013 /nfs/dbraw/zinc/19/90/13/804199013.db2.gz WKYWLYGFXUSUEU-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP Cn1cc(-c2ccc(C[NH2+]CCC[NH+]3CCC3)cc2)cn1 ZINC001118325080 815004189 /nfs/dbraw/zinc/00/41/89/815004189.db2.gz DGUNFRVEPGPFCW-UHFFFAOYSA-N 2 1 284.407 2.273 20 0 CEADMP Cc1ccc(NC(=[NH2+])NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001118411212 815012385 /nfs/dbraw/zinc/01/23/85/815012385.db2.gz WAKGANHTLFZKTK-HNNXBMFYSA-N 2 1 292.452 2.369 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000399499440 804377166 /nfs/dbraw/zinc/37/71/66/804377166.db2.gz JFAOYFHAVQALEW-KBPBESRZSA-N 2 1 256.434 2.057 20 0 CEADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccns1 ZINC000716017581 815014390 /nfs/dbraw/zinc/01/43/90/815014390.db2.gz BUWZPKUZBYAELR-QJPTWQEYSA-N 2 1 251.399 2.421 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001167834567 804417298 /nfs/dbraw/zinc/41/72/98/804417298.db2.gz KVQTUYZHYWGDLY-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C1CC1)C1COC1 ZINC001167838491 804431074 /nfs/dbraw/zinc/43/10/74/804431074.db2.gz VMZXBCVAEICKEU-CYBMUJFWSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](O)C[C@H]1C ZINC001167839311 804434425 /nfs/dbraw/zinc/43/44/25/804434425.db2.gz XIWSNHXONUXLAL-RRFJBIMHSA-N 2 1 256.434 2.342 20 0 CEADMP CCOC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C[C@@H]21 ZINC001167841943 804447597 /nfs/dbraw/zinc/44/75/97/804447597.db2.gz VEBSFLWJMAJRNH-CAOSSQGBSA-N 2 1 296.455 2.238 20 0 CEADMP C(C1CC1)[NH+]1CCC([N@H+]2CC[C@@H]3CCCO[C@@H]3C2)CC1 ZINC001168378722 807022928 /nfs/dbraw/zinc/02/29/28/807022928.db2.gz RLNIAHIUEZSBQU-DOTOQJQBSA-N 2 1 278.440 2.362 20 0 CEADMP C[C@@H]1CC[N@H+](CCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000402053316 804651140 /nfs/dbraw/zinc/65/11/40/804651140.db2.gz SPUXEMFWXYUVOR-VXGBXAGGSA-N 2 1 268.351 2.424 20 0 CEADMP C[C@@H]1CC[N@@H+](CCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000402053316 804651144 /nfs/dbraw/zinc/65/11/44/804651144.db2.gz SPUXEMFWXYUVOR-VXGBXAGGSA-N 2 1 268.351 2.424 20 0 CEADMP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268396442 804651729 /nfs/dbraw/zinc/65/17/29/804651729.db2.gz WTCJOOLXHQIADH-DZKIICNBSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@@H](CC[NH2+]CCC(C)(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268413380 804660200 /nfs/dbraw/zinc/66/02/00/804660200.db2.gz DYPUGSUAHRZUCV-LSDHHAIUSA-N 2 1 297.487 2.249 20 0 CEADMP C[C@@H](C[NH2+]CCC1CCCCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001268683684 804926834 /nfs/dbraw/zinc/92/68/34/804926834.db2.gz YOUNNYJPMCZUKD-HOCLYGCPSA-N 2 1 295.471 2.145 20 0 CEADMP CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269288213 805114626 /nfs/dbraw/zinc/11/46/26/805114626.db2.gz RRYKOECKCUUYRL-CVEARBPZSA-N 2 1 297.487 2.440 20 0 CEADMP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001038406210 805247665 /nfs/dbraw/zinc/24/76/65/805247665.db2.gz BOCVITHIQDRRDV-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001038406210 805247671 /nfs/dbraw/zinc/24/76/71/805247671.db2.gz BOCVITHIQDRRDV-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001038406210 805247680 /nfs/dbraw/zinc/24/76/80/805247680.db2.gz BOCVITHIQDRRDV-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001038406210 805247688 /nfs/dbraw/zinc/24/76/88/805247688.db2.gz BOCVITHIQDRRDV-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC/C=C\CC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001270643355 805502709 /nfs/dbraw/zinc/50/27/09/805502709.db2.gz WMPALTMEKBYJAH-ZPUOCTKUSA-N 2 1 295.471 2.265 20 0 CEADMP CC/C=C\CC[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001270643355 805502715 /nfs/dbraw/zinc/50/27/15/805502715.db2.gz WMPALTMEKBYJAH-ZPUOCTKUSA-N 2 1 295.471 2.265 20 0 CEADMP CC/C=C\CC[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001270643355 805502720 /nfs/dbraw/zinc/50/27/20/805502720.db2.gz WMPALTMEKBYJAH-ZPUOCTKUSA-N 2 1 295.471 2.265 20 0 CEADMP OC[C@@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982019 805515612 /nfs/dbraw/zinc/51/56/12/805515612.db2.gz TWBUJYLRAZOREJ-TVXGVJEUSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167984769 805536733 /nfs/dbraw/zinc/53/67/33/805536733.db2.gz RGVWIWZWDQMSDX-WFVVYAPDSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167984769 805536740 /nfs/dbraw/zinc/53/67/40/805536740.db2.gz RGVWIWZWDQMSDX-WFVVYAPDSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167984769 805536747 /nfs/dbraw/zinc/53/67/47/805536747.db2.gz RGVWIWZWDQMSDX-WFVVYAPDSA-N 2 1 278.440 2.239 20 0 CEADMP CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001029112228 805543396 /nfs/dbraw/zinc/54/33/96/805543396.db2.gz YEVDHAFGKFXHEG-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP CO[C@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001168396751 807075689 /nfs/dbraw/zinc/07/56/89/807075689.db2.gz IQLDGLDEYIBVDP-CJNGLKHVSA-N 2 1 266.429 2.360 20 0 CEADMP CC[C@H](C)C[NH+]1CC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030442455 807190166 /nfs/dbraw/zinc/19/01/66/807190166.db2.gz UZPVYZINCYPHDV-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@H](O)CC2)c1 ZINC001232143577 807222904 /nfs/dbraw/zinc/22/29/04/807222904.db2.gz AZNBKDGFRCWLIO-INIZCTEOSA-N 2 1 280.387 2.234 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000229088886 807235874 /nfs/dbraw/zinc/23/58/74/807235874.db2.gz GEWNFZWMIGGUQK-GJZGRUSLSA-N 2 1 292.423 2.381 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1C ZINC001089060686 807326082 /nfs/dbraw/zinc/32/60/82/807326082.db2.gz BRGJYYGYZDPBLO-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H]1C ZINC001089060686 807326089 /nfs/dbraw/zinc/32/60/89/807326089.db2.gz BRGJYYGYZDPBLO-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001089060686 807326097 /nfs/dbraw/zinc/32/60/97/807326097.db2.gz BRGJYYGYZDPBLO-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716303926 815112316 /nfs/dbraw/zinc/11/23/16/815112316.db2.gz XXAXAAALKZPWIB-CABCVRRESA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716357029 815118969 /nfs/dbraw/zinc/11/89/69/815118969.db2.gz WGXHXVNLSMXPTN-UONOGXRCSA-N 2 1 252.402 2.006 20 0 CEADMP CC[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716628400 815136955 /nfs/dbraw/zinc/13/69/55/815136955.db2.gz WQLCWIKXFJLDQD-MHORFTMASA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H](O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716621599 815137132 /nfs/dbraw/zinc/13/71/32/815137132.db2.gz RQBTYHYEYCVIMI-DKIMLUQUSA-N 2 1 288.435 2.400 20 0 CEADMP COc1c(F)cccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109518 807670995 /nfs/dbraw/zinc/67/09/95/807670995.db2.gz HJPAQZLTEYABBV-LBPRGKRZSA-N 2 1 252.333 2.148 20 0 CEADMP COc1c(F)cccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205109518 807671000 /nfs/dbraw/zinc/67/10/00/807671000.db2.gz HJPAQZLTEYABBV-LBPRGKRZSA-N 2 1 252.333 2.148 20 0 CEADMP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099215772 807711631 /nfs/dbraw/zinc/71/16/31/807711631.db2.gz ZONXMJQODIRFNQ-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3c(c2)NCCC3)CC1 ZINC001205124650 807725547 /nfs/dbraw/zinc/72/55/47/807725547.db2.gz XFBQNDZMILAQTL-HNNXBMFYSA-N 2 1 259.397 2.358 20 0 CEADMP CCCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127344860 807753268 /nfs/dbraw/zinc/75/32/68/807753268.db2.gz RXYGJJCUHVFTLY-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1c(Cl)ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1C ZINC001236081018 807963720 /nfs/dbraw/zinc/96/37/20/807963720.db2.gz KWXJXVKBODADJY-UHFFFAOYSA-N 2 1 295.858 2.294 20 0 CEADMP [NH3+][C@H]1CC[N@H+](CCCCCOCc2ccccc2)C1 ZINC001236167314 808001457 /nfs/dbraw/zinc/00/14/57/808001457.db2.gz BEGZNBOBZPMSFI-INIZCTEOSA-N 2 1 262.397 2.407 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](CCCCCOCc2ccccc2)C1 ZINC001236167314 808001460 /nfs/dbraw/zinc/00/14/60/808001460.db2.gz BEGZNBOBZPMSFI-INIZCTEOSA-N 2 1 262.397 2.407 20 0 CEADMP CC[NH+]1CCC(CC2CC[NH+](C[C@H](C)[NH3+])CC2)CC1 ZINC001236193313 808009534 /nfs/dbraw/zinc/00/95/34/808009534.db2.gz JRSZCVXIESKJIT-AWEZNQCLSA-N 3 1 267.461 2.168 20 0 CEADMP c1[nH]nc2c1[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000353435904 808131820 /nfs/dbraw/zinc/13/18/20/808131820.db2.gz AJSMSJNIAYBCIZ-YRGRVCCFSA-N 2 1 260.385 2.004 20 0 CEADMP c1[nH]nc2c1[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000353435904 808131824 /nfs/dbraw/zinc/13/18/24/808131824.db2.gz AJSMSJNIAYBCIZ-YRGRVCCFSA-N 2 1 260.385 2.004 20 0 CEADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171545652 815188201 /nfs/dbraw/zinc/18/82/01/815188201.db2.gz FEDYSZUHGJPXOL-CABCVRRESA-N 2 1 283.460 2.145 20 0 CEADMP C[C@@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[C@@H]1O ZINC001171631900 815202197 /nfs/dbraw/zinc/20/21/97/815202197.db2.gz PFHRJMDNFIHTDC-OCCSQVGLSA-N 2 1 268.445 2.341 20 0 CEADMP C[NH+](C)CCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171617556 815204239 /nfs/dbraw/zinc/20/42/39/815204239.db2.gz NHBRGJBCEWFLKV-UHFFFAOYSA-N 3 1 255.450 2.179 20 0 CEADMP CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107582456 808465011 /nfs/dbraw/zinc/46/50/11/808465011.db2.gz FOOBBYVECQZETH-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107613849 808474871 /nfs/dbraw/zinc/47/48/71/808474871.db2.gz BICJMNRHHAPUKE-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC1CCCC1 ZINC001171725787 815217701 /nfs/dbraw/zinc/21/77/01/815217701.db2.gz QUOCFZGPLVIKJG-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP Cc1cc(C[NH3+])nn1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171726534 815218150 /nfs/dbraw/zinc/21/81/50/815218150.db2.gz XJKJPRHHZWBALB-CXAGYDPISA-N 2 1 284.407 2.486 20 0 CEADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@@](O)(C[NH3+])CC2)o1 ZINC001205212346 808575223 /nfs/dbraw/zinc/57/52/23/808575223.db2.gz ZFOCXZRNXDZEOZ-CJNGLKHVSA-N 2 1 280.412 2.257 20 0 CEADMP CC[NH+]1CCN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171743532 815221669 /nfs/dbraw/zinc/22/16/69/815221669.db2.gz BIYVDKREHGXSMX-AEFFLSMTSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@@H]1C[C@H](n2cnc3c2C[NH2+]CC3)C[N@H+]1Cc1ccccc1 ZINC001171746705 815224231 /nfs/dbraw/zinc/22/42/31/815224231.db2.gz QZPSCOPHQIGVPM-ZBFHGGJFSA-N 2 1 296.418 2.364 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001205247418 808699766 /nfs/dbraw/zinc/69/97/66/808699766.db2.gz HGIWYZUMQHAYJD-KRWDZBQOSA-N 2 1 292.398 2.379 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]C(C)C ZINC001168615788 808735670 /nfs/dbraw/zinc/73/56/70/808735670.db2.gz VBEPSECAEWSUFD-UHFFFAOYSA-N 2 1 271.449 2.003 20 0 CEADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171820827 815234315 /nfs/dbraw/zinc/23/43/15/815234315.db2.gz HKPCUUKRIVOCJR-CQSZACIVSA-N 2 1 294.443 2.256 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3Cc4cccc(F)c4C3)C[C@@H]2C1 ZINC001171797396 815238817 /nfs/dbraw/zinc/23/88/17/815238817.db2.gz VSPVPBDFEXLLFX-QLFBSQMISA-N 2 1 274.383 2.176 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3Cc4cccc(F)c4C3)C[C@@H]2C1 ZINC001171797396 815238821 /nfs/dbraw/zinc/23/88/21/815238821.db2.gz VSPVPBDFEXLLFX-QLFBSQMISA-N 2 1 274.383 2.176 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3Cc4cccc(F)c4C3)C[C@@H]2C1 ZINC001171797396 815238823 /nfs/dbraw/zinc/23/88/23/815238823.db2.gz VSPVPBDFEXLLFX-QLFBSQMISA-N 2 1 274.383 2.176 20 0 CEADMP C[C@H](CC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)[NH+](C)C ZINC001120583818 815241251 /nfs/dbraw/zinc/24/12/51/815241251.db2.gz YSMBERWWFRZUSF-QMTHXVAHSA-N 2 1 288.794 2.442 20 0 CEADMP C[C@@H](CC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)[NH+](C)C ZINC001120583727 815241544 /nfs/dbraw/zinc/24/15/44/815241544.db2.gz YSMBERWWFRZUSF-IINYFYTJSA-N 2 1 288.794 2.442 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](OC)C12CCC2)[NH+]1CCCC1 ZINC000453083072 809035003 /nfs/dbraw/zinc/03/50/03/809035003.db2.gz MUJUXPMMYHHPEB-RBSFLKMASA-N 2 1 266.429 2.408 20 0 CEADMP CCOC(=O)C1(C)CCC([N@@H+](C)CCC[NH+](C)C)CC1 ZINC001171948973 815258674 /nfs/dbraw/zinc/25/86/74/815258674.db2.gz YYQGPNMNVGASCE-UHFFFAOYSA-N 2 1 284.444 2.382 20 0 CEADMP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001280496698 809227411 /nfs/dbraw/zinc/22/74/11/809227411.db2.gz BMSLHLYDWFBFKS-FOSCPCJNSA-N 2 1 293.455 2.065 20 0 CEADMP CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033198419 809230826 /nfs/dbraw/zinc/23/08/26/809230826.db2.gz LEVOEZVFRZKWOG-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033198419 809230832 /nfs/dbraw/zinc/23/08/32/809230832.db2.gz LEVOEZVFRZKWOG-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033198419 809230836 /nfs/dbraw/zinc/23/08/36/809230836.db2.gz LEVOEZVFRZKWOG-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033546512 809335378 /nfs/dbraw/zinc/33/53/78/809335378.db2.gz DUYHFIVJSPPHJG-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000700830233 809359481 /nfs/dbraw/zinc/35/94/81/809359481.db2.gz GZEGCBHTIJBETC-UKRRQHHQSA-N 2 1 259.397 2.390 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000700830233 809359486 /nfs/dbraw/zinc/35/94/86/809359486.db2.gz GZEGCBHTIJBETC-UKRRQHHQSA-N 2 1 259.397 2.390 20 0 CEADMP C[NH+]1CC2(C1)CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172127967 815287543 /nfs/dbraw/zinc/28/75/43/815287543.db2.gz MJEDEFPGWDJPRO-MUJYYYPQSA-N 2 1 277.456 2.029 20 0 CEADMP C[NH+]1CC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172127967 815287547 /nfs/dbraw/zinc/28/75/47/815287547.db2.gz MJEDEFPGWDJPRO-MUJYYYPQSA-N 3 1 277.456 2.029 20 0 CEADMP C[NH+]1CC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172127967 815287549 /nfs/dbraw/zinc/28/75/49/815287549.db2.gz MJEDEFPGWDJPRO-MUJYYYPQSA-N 3 1 277.456 2.029 20 0 CEADMP COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129924 815289767 /nfs/dbraw/zinc/28/97/67/815289767.db2.gz FFPWPTYPJNJPGC-VTMBPIDISA-N 2 1 292.423 2.028 20 0 CEADMP COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129924 815289772 /nfs/dbraw/zinc/28/97/72/815289772.db2.gz FFPWPTYPJNJPGC-VTMBPIDISA-N 2 1 292.423 2.028 20 0 CEADMP COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129924 815289775 /nfs/dbraw/zinc/28/97/75/815289775.db2.gz FFPWPTYPJNJPGC-VTMBPIDISA-N 2 1 292.423 2.028 20 0 CEADMP COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129924 815289778 /nfs/dbraw/zinc/28/97/78/815289778.db2.gz FFPWPTYPJNJPGC-VTMBPIDISA-N 2 1 292.423 2.028 20 0 CEADMP CC[N@H+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C(C)(C)C1 ZINC001172132003 815290346 /nfs/dbraw/zinc/29/03/46/815290346.db2.gz IUXOQVVMISZXKQ-ZSHCYNCHSA-N 2 1 279.472 2.418 20 0 CEADMP CC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(C)(C)C1 ZINC001172132003 815290348 /nfs/dbraw/zinc/29/03/48/815290348.db2.gz IUXOQVVMISZXKQ-ZSHCYNCHSA-N 2 1 279.472 2.418 20 0 CEADMP CC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(C)(C)C1 ZINC001172132003 815290350 /nfs/dbraw/zinc/29/03/50/815290350.db2.gz IUXOQVVMISZXKQ-ZSHCYNCHSA-N 2 1 279.472 2.418 20 0 CEADMP CCCC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033941564 809463179 /nfs/dbraw/zinc/46/31/79/809463179.db2.gz PSUJYFLTWNVQAO-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC(C)(C)C ZINC001128784470 809463456 /nfs/dbraw/zinc/46/34/56/809463456.db2.gz NHHXESAMVBUSPI-AWEZNQCLSA-N 2 1 283.460 2.003 20 0 CEADMP [NH3+]CCC[N@@H+](C1CCCCC1)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172144677 815292617 /nfs/dbraw/zinc/29/26/17/815292617.db2.gz APWADDYUVBAAND-HOTGVXAUSA-N 2 1 293.455 2.123 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncn1CC1CC1)C2 ZINC001172112116 815300235 /nfs/dbraw/zinc/30/02/35/815300235.db2.gz RQZGBFHBRQRYQQ-MUJYYYPQSA-N 2 1 288.439 2.398 20 0 CEADMP CC(C)[NH+]1CCC(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172102123 815294254 /nfs/dbraw/zinc/29/42/54/815294254.db2.gz KAKGQSCEJITUHL-OSYLJGHBSA-N 2 1 279.472 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)c1cccs1)C2 ZINC001172105468 815296731 /nfs/dbraw/zinc/29/67/31/815296731.db2.gz IHWXTRBVJPETAP-YIYPIFLZSA-N 2 1 280.437 2.386 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@]1(C)CCCOC1)C2 ZINC001172109572 815297648 /nfs/dbraw/zinc/29/76/48/815297648.db2.gz DUFNAGFDUYCCJN-LXTVHRRPSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@]1(C)CCCOC1)C2 ZINC001172109572 815297655 /nfs/dbraw/zinc/29/76/55/815297655.db2.gz DUFNAGFDUYCCJN-LXTVHRRPSA-N 2 1 252.402 2.160 20 0 CEADMP COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172108325 815298702 /nfs/dbraw/zinc/29/87/02/815298702.db2.gz UMCWVIPIENPWFP-WFLNUHJHSA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172108325 815298707 /nfs/dbraw/zinc/29/87/07/815298707.db2.gz UMCWVIPIENPWFP-WFLNUHJHSA-N 2 1 294.439 2.323 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001034270564 809567787 /nfs/dbraw/zinc/56/77/87/809567787.db2.gz IBSRDVDQEMJAFH-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034270564 809567790 /nfs/dbraw/zinc/56/77/90/809567790.db2.gz IBSRDVDQEMJAFH-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034270564 809567793 /nfs/dbraw/zinc/56/77/93/809567793.db2.gz IBSRDVDQEMJAFH-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034270564 809567795 /nfs/dbraw/zinc/56/77/95/809567795.db2.gz IBSRDVDQEMJAFH-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034270564 809567798 /nfs/dbraw/zinc/56/77/98/809567798.db2.gz IBSRDVDQEMJAFH-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001034269416 809568314 /nfs/dbraw/zinc/56/83/14/809568314.db2.gz DEGLXFZVSAVDHG-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034269416 809568316 /nfs/dbraw/zinc/56/83/16/809568316.db2.gz DEGLXFZVSAVDHG-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034269416 809568321 /nfs/dbraw/zinc/56/83/21/809568321.db2.gz DEGLXFZVSAVDHG-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034269416 809568326 /nfs/dbraw/zinc/56/83/26/809568326.db2.gz DEGLXFZVSAVDHG-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034269416 809568328 /nfs/dbraw/zinc/56/83/28/809568328.db2.gz DEGLXFZVSAVDHG-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172112241 815301098 /nfs/dbraw/zinc/30/10/98/815301098.db2.gz UMCWVIPIENPWFP-HCAJQNDMSA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172112241 815301104 /nfs/dbraw/zinc/30/11/04/815301104.db2.gz UMCWVIPIENPWFP-HCAJQNDMSA-N 2 1 294.439 2.323 20 0 CEADMP CCOC(=O)C1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001172112269 815301171 /nfs/dbraw/zinc/30/11/71/815301171.db2.gz VIOIROMLWJAHMR-QKDCVEJESA-N 2 1 294.439 2.325 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034463342 809610910 /nfs/dbraw/zinc/61/09/10/809610910.db2.gz SNHVANXULIPRHW-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528087 809625061 /nfs/dbraw/zinc/62/50/61/809625061.db2.gz JNVXWCMAFMROPP-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CN(CCC[NH+]1CCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119768 815307887 /nfs/dbraw/zinc/30/78/87/815307887.db2.gz AIUQDCYMIULKAN-BJWYYQGGSA-N 2 1 279.472 2.419 20 0 CEADMP Cc1ccc(C[NH+]2CCCCC2)cc1-n1cnc(C[NH3+])n1 ZINC001168756724 809669937 /nfs/dbraw/zinc/66/99/37/809669937.db2.gz PXXDJJXQQSRWGN-UHFFFAOYSA-N 2 1 285.395 2.020 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@](O)(CF)C1)C2 ZINC001172120063 815309773 /nfs/dbraw/zinc/30/97/73/815309773.db2.gz JKBZFUCAXHVCEC-JJXSEGSLSA-N 2 1 284.419 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@](O)(CF)C1)C2 ZINC001172120063 815309780 /nfs/dbraw/zinc/30/97/80/815309780.db2.gz JKBZFUCAXHVCEC-JJXSEGSLSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC[C@](O)(CF)C1)C2 ZINC001172120063 815309785 /nfs/dbraw/zinc/30/97/85/815309785.db2.gz JKBZFUCAXHVCEC-JJXSEGSLSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@](O)(CF)C1)C2 ZINC001172120063 815309791 /nfs/dbraw/zinc/30/97/91/815309791.db2.gz JKBZFUCAXHVCEC-JJXSEGSLSA-N 2 1 284.419 2.188 20 0 CEADMP C[N@H+]1CCC[C@@H](CNCc2ccc(Cl)cn2)C1 ZINC000703887943 809702203 /nfs/dbraw/zinc/70/22/03/809702203.db2.gz YHJQPIFWNMLSTE-NSHDSACASA-N 2 1 253.777 2.166 20 0 CEADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@H]1O ZINC001172121890 815312337 /nfs/dbraw/zinc/31/23/37/815312337.db2.gz VBCVFFLGIJSCQW-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@H]1O ZINC001172121890 815312341 /nfs/dbraw/zinc/31/23/41/815312341.db2.gz VBCVFFLGIJSCQW-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC[C@H]1O ZINC001172121890 815312345 /nfs/dbraw/zinc/31/23/45/815312345.db2.gz VBCVFFLGIJSCQW-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC[C@H]1O ZINC001172121890 815312349 /nfs/dbraw/zinc/31/23/49/815312349.db2.gz VBCVFFLGIJSCQW-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[NH+](C)[C@@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121530 815314059 /nfs/dbraw/zinc/31/40/59/815314059.db2.gz KLPACMRKFLZMCD-QKPAOTATSA-N 2 1 265.445 2.028 20 0 CEADMP C(C[C@H]1CCSC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000704918998 809763489 /nfs/dbraw/zinc/76/34/89/809763489.db2.gz PCCPHZBGRLBAKE-MELADBBJSA-N 2 1 254.443 2.346 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[NH+]3CCC[C@H]3C1)C2 ZINC001172122944 815314665 /nfs/dbraw/zinc/31/46/65/815314665.db2.gz WFDOEOSKUAVPTH-VVLHAWIVSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[N@@H+]3CCC[C@H]3C1)C2 ZINC001172122944 815314671 /nfs/dbraw/zinc/31/46/71/815314671.db2.gz WFDOEOSKUAVPTH-VVLHAWIVSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[N@H+]3CCC[C@H]3C1)C2 ZINC001172122944 815314679 /nfs/dbraw/zinc/31/46/79/815314679.db2.gz WFDOEOSKUAVPTH-VVLHAWIVSA-N 2 1 277.456 2.172 20 0 CEADMP C(C[N@H+]1CC[C@@]2(CCOC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000707227440 809888304 /nfs/dbraw/zinc/88/83/04/809888304.db2.gz LQOLIEUFAHPMAF-WTXIUTQJSA-N 2 1 264.413 2.020 20 0 CEADMP CC[C@@]1(C)COCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000707266046 809895278 /nfs/dbraw/zinc/89/52/78/809895278.db2.gz KEKFOSZHPJANCO-KRWDZBQOSA-N 2 1 274.408 2.333 20 0 CEADMP CC(C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001036417096 809899499 /nfs/dbraw/zinc/89/94/99/809899499.db2.gz WZROAIQVPOXCAU-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2CC[C@H](CC[NH3+])C2)C(C)(C)O1 ZINC000709702297 809953978 /nfs/dbraw/zinc/95/39/78/809953978.db2.gz MISRPEZNSDAHIT-STQMWFEESA-N 2 1 254.418 2.251 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCC3(CCCC3)O1)C2 ZINC000709801231 809970461 /nfs/dbraw/zinc/97/04/61/809970461.db2.gz PJTFUYZLBBOXBJ-LJISPDSOSA-N 2 1 264.413 2.290 20 0 CEADMP CC(C)(C)CC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709798820 809970751 /nfs/dbraw/zinc/97/07/51/809970751.db2.gz IOAWYVASSYGCQS-NXEZZACHSA-N 2 1 252.324 2.492 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000709850859 809972599 /nfs/dbraw/zinc/97/25/99/809972599.db2.gz BNSMFMXQMDOBII-SRVKXCTJSA-N 2 1 252.308 2.276 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000709850859 809972604 /nfs/dbraw/zinc/97/26/04/809972604.db2.gz BNSMFMXQMDOBII-SRVKXCTJSA-N 2 1 252.308 2.276 20 0 CEADMP COC(=O)c1cc(C[N@@H+](C)CCCCCC[NH3+])oc1C ZINC000710682787 809989267 /nfs/dbraw/zinc/98/92/67/809989267.db2.gz BWUHIIXMCFMENY-UHFFFAOYSA-N 2 1 282.384 2.326 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C(C)(C)O1 ZINC000711250358 810052144 /nfs/dbraw/zinc/05/21/44/810052144.db2.gz QOMYKVJSGYQQHY-BFHYXJOUSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC[N@@H+]1C ZINC000711848843 810100324 /nfs/dbraw/zinc/10/03/24/810100324.db2.gz WJBYJLYQZFZEAD-DTZQCDIJSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC[N@H+]1C ZINC000711848843 810100328 /nfs/dbraw/zinc/10/03/28/810100328.db2.gz WJBYJLYQZFZEAD-DTZQCDIJSA-N 2 1 266.429 2.264 20 0 CEADMP C[NH+](C)C1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001163940309 810229311 /nfs/dbraw/zinc/22/93/11/810229311.db2.gz GUJSNIMBWBDEHQ-UHFFFAOYSA-N 2 1 294.830 2.081 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CC[C@](C)(CF)C2)CC1 ZINC001172252702 815357914 /nfs/dbraw/zinc/35/79/14/815357914.db2.gz RWCBBDPFYSFRBR-OAHLLOKOSA-N 2 1 272.408 2.169 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CC[C@](C)(CF)C2)CC1 ZINC001172252702 815357919 /nfs/dbraw/zinc/35/79/19/815357919.db2.gz RWCBBDPFYSFRBR-OAHLLOKOSA-N 2 1 272.408 2.169 20 0 CEADMP C[N@@H+](C1CC1)C1CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172244930 815356762 /nfs/dbraw/zinc/35/67/62/815356762.db2.gz UWJKHBCDADSNJF-MQVJKMGUSA-N 2 1 262.397 2.031 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CCCCO3)CC1 ZINC001172252193 815358390 /nfs/dbraw/zinc/35/83/90/815358390.db2.gz IHVHHZWWBKLBSY-QGZVFWFLSA-N 2 1 296.455 2.132 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCCO3)CC1 ZINC001172252193 815358395 /nfs/dbraw/zinc/35/83/95/815358395.db2.gz IHVHHZWWBKLBSY-QGZVFWFLSA-N 2 1 296.455 2.132 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](C)C2)CC1 ZINC001172249212 815358473 /nfs/dbraw/zinc/35/84/73/815358473.db2.gz GOYQIVRISNLHFO-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](C)C2)CC1 ZINC001172249212 815358482 /nfs/dbraw/zinc/35/84/82/815358482.db2.gz GOYQIVRISNLHFO-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015499112 810297225 /nfs/dbraw/zinc/29/72/25/810297225.db2.gz NPPWCOGNEOCSTJ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001015931261 810372869 /nfs/dbraw/zinc/37/28/69/810372869.db2.gz GWWGJHTUMGKNQL-HNNXBMFYSA-N 2 1 298.390 2.085 20 0 CEADMP Cc1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC001154977498 810871128 /nfs/dbraw/zinc/87/11/28/810871128.db2.gz NYEFHQPIXFDVMS-CHWSQXEVSA-N 2 1 275.400 2.067 20 0 CEADMP CC(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085672626 810871808 /nfs/dbraw/zinc/87/18/08/810871808.db2.gz CLFDFLNSQUSOKN-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085672626 810871814 /nfs/dbraw/zinc/87/18/14/810871814.db2.gz CLFDFLNSQUSOKN-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001085672626 810871819 /nfs/dbraw/zinc/87/18/19/810871819.db2.gz CLFDFLNSQUSOKN-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085688042 810877037 /nfs/dbraw/zinc/87/70/37/810877037.db2.gz AGOHKWHCJFIRDU-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085688042 810877044 /nfs/dbraw/zinc/87/70/44/810877044.db2.gz AGOHKWHCJFIRDU-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085688042 810877049 /nfs/dbraw/zinc/87/70/49/810877049.db2.gz AGOHKWHCJFIRDU-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000723141206 811019065 /nfs/dbraw/zinc/01/90/65/811019065.db2.gz CACRODABOMCEGQ-YTWAJWBKSA-N 2 1 250.308 2.102 20 0 CEADMP c1cc(C2CC2)cc(NCc2noc3c2C[NH2+]CC3)[nH+]1 ZINC001155498031 811070556 /nfs/dbraw/zinc/07/05/56/811070556.db2.gz PJNVKNXNSLZHDA-UHFFFAOYSA-N 2 1 270.336 2.205 20 0 CEADMP CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040397702 811109973 /nfs/dbraw/zinc/10/99/73/811109973.db2.gz CIIVORTUSQXELH-RDJZCZTQSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086497385 811170244 /nfs/dbraw/zinc/17/02/44/811170244.db2.gz JVDASGMAQAPHLL-BZUAXINKSA-N 2 1 295.471 2.144 20 0 CEADMP C[N@H+]1CC[C@H](c2ccc(-n3cc4c(n3)CC[C@@H]([NH3+])C4)cc2)C1 ZINC001168817484 811246465 /nfs/dbraw/zinc/24/64/65/811246465.db2.gz IHGJGSXISLDRMY-GOEBONIOSA-N 2 1 296.418 2.107 20 0 CEADMP c1c[nH+]c(NCCC2CCC2)c(N2CC[NH2+]CC2)c1 ZINC001168886415 811289569 /nfs/dbraw/zinc/28/95/69/811289569.db2.gz BBXSOIDJLVBPJP-UHFFFAOYSA-N 2 1 260.385 2.093 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc3ccccc3[nH]2)CCC[C@@H]1C[NH3+] ZINC001205996091 811307188 /nfs/dbraw/zinc/30/71/88/811307188.db2.gz UQUKFHQKKWQNTK-CHWSQXEVSA-N 2 1 272.396 2.370 20 0 CEADMP CC[NH+](CC)CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169094888 811366521 /nfs/dbraw/zinc/36/65/21/811366521.db2.gz MTBBCXNUQYFSKE-PHZGNYQRSA-N 3 1 267.461 2.323 20 0 CEADMP CC[NH+](CC)CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169094888 811366530 /nfs/dbraw/zinc/36/65/30/811366530.db2.gz MTBBCXNUQYFSKE-PHZGNYQRSA-N 2 1 267.461 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(C(N)=[NH2+])c1ccc(F)cc1)C2 ZINC001169099340 811370929 /nfs/dbraw/zinc/37/09/29/811370929.db2.gz QHOSMCFHNOXAHO-BTTYYORXSA-N 2 1 276.359 2.151 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)C2 ZINC001169100282 811372830 /nfs/dbraw/zinc/37/28/30/811372830.db2.gz IEBSBMCBOBLEGB-NFFDBFGFSA-N 2 1 296.361 2.213 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@]13C[C@H]4C[C@@H](C1)C[C@](O)(C4)C3)C2 ZINC001169102281 811377755 /nfs/dbraw/zinc/37/77/55/811377755.db2.gz YWWHWVANEDLHPW-FYXMJDSLSA-N 2 1 290.451 2.285 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccc3cc(C[NH3+])cnc31)C2 ZINC001169092214 811383282 /nfs/dbraw/zinc/38/32/82/811383282.db2.gz ZYVLXDCUBMDMAQ-FICVDOATSA-N 2 1 270.380 2.293 20 0 CEADMP CN(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169092412 811384765 /nfs/dbraw/zinc/38/47/65/811384765.db2.gz BVMBZOITLUYBND-ACHSLPGTSA-N 2 1 273.424 2.338 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCc1[nH+]cn3ccccc13)C2 ZINC001169117329 811388091 /nfs/dbraw/zinc/38/80/91/811388091.db2.gz YOOMGCNXFKFROM-BTTYYORXSA-N 2 1 270.380 2.049 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCc1[nH+]cn3ccccc13)C2 ZINC001169117329 811388101 /nfs/dbraw/zinc/38/81/01/811388101.db2.gz YOOMGCNXFKFROM-BTTYYORXSA-N 2 1 270.380 2.049 20 0 CEADMP Cc1nc([C@@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)no1 ZINC001169125475 811391167 /nfs/dbraw/zinc/39/11/67/811391167.db2.gz IVCVCUVEHCVFGW-KBXIAJHMSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nc([C@@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)no1 ZINC001169125475 811391174 /nfs/dbraw/zinc/39/11/74/811391174.db2.gz IVCVCUVEHCVFGW-KBXIAJHMSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nc([C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)no1 ZINC001169125475 811391182 /nfs/dbraw/zinc/39/11/82/811391182.db2.gz IVCVCUVEHCVFGW-KBXIAJHMSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nc([C@@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)no1 ZINC001169125475 811391191 /nfs/dbraw/zinc/39/11/91/811391191.db2.gz IVCVCUVEHCVFGW-KBXIAJHMSA-N 2 1 290.411 2.183 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@]3(CCOC3)C1)C2 ZINC001169128336 811396315 /nfs/dbraw/zinc/39/63/15/811396315.db2.gz DBEXYJRCJNBAFT-QKPAOTATSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@]3(CCOC3)C1)C2 ZINC001169128336 811396326 /nfs/dbraw/zinc/39/63/26/811396326.db2.gz DBEXYJRCJNBAFT-QKPAOTATSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@]3(CCOC3)C1)C2 ZINC001169128336 811396335 /nfs/dbraw/zinc/39/63/35/811396335.db2.gz DBEXYJRCJNBAFT-QKPAOTATSA-N 2 1 264.413 2.114 20 0 CEADMP COC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169110553 811403867 /nfs/dbraw/zinc/40/38/67/811403867.db2.gz MQNXYRCWFOAYHA-WFLNUHJHSA-N 2 1 294.439 2.181 20 0 CEADMP COC(=O)CC[N@H+](C1CCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169141650 811409071 /nfs/dbraw/zinc/40/90/71/811409071.db2.gz RNDMSCKJWVIFHI-ZSHCYNCHSA-N 2 1 294.439 2.419 20 0 CEADMP COC(=O)CC[N@@H+](C1CCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169141650 811409073 /nfs/dbraw/zinc/40/90/73/811409073.db2.gz RNDMSCKJWVIFHI-ZSHCYNCHSA-N 2 1 294.439 2.419 20 0 CEADMP COC(=O)CC[NH+](C1CCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169141650 811409077 /nfs/dbraw/zinc/40/90/77/811409077.db2.gz RNDMSCKJWVIFHI-ZSHCYNCHSA-N 2 1 294.439 2.419 20 0 CEADMP COC(=O)CC[NH+](C1CCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169141650 811409080 /nfs/dbraw/zinc/40/90/80/811409080.db2.gz RNDMSCKJWVIFHI-ZSHCYNCHSA-N 2 1 294.439 2.419 20 0 CEADMP CC(C)O[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169156427 811416497 /nfs/dbraw/zinc/41/64/97/811416497.db2.gz YEPHCIVBXDRJIS-CBBWQLFWSA-N 2 1 252.402 2.111 20 0 CEADMP CC(C)O[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169156427 811416501 /nfs/dbraw/zinc/41/65/01/811416501.db2.gz YEPHCIVBXDRJIS-CBBWQLFWSA-N 2 1 252.402 2.111 20 0 CEADMP CC(C)O[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169156427 811416504 /nfs/dbraw/zinc/41/65/04/811416504.db2.gz YEPHCIVBXDRJIS-CBBWQLFWSA-N 2 1 252.402 2.111 20 0 CEADMP CCOC(=O)N1CCC[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)CC1 ZINC001169652396 811606873 /nfs/dbraw/zinc/60/68/73/811606873.db2.gz OWUYUJKHCUMCON-LSDHHAIUSA-N 2 1 297.443 2.071 20 0 CEADMP C[N@H+]1CCCC[C@H]1c1ccc(-n2ccc(C[NH3+])c2)nc1 ZINC001169724748 811644418 /nfs/dbraw/zinc/64/44/18/811644418.db2.gz DCKGEEQPIILRJI-HNNXBMFYSA-N 2 1 270.380 2.488 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001172592382 815466585 /nfs/dbraw/zinc/46/65/85/815466585.db2.gz HVVKCULWLZXVFY-KBXIAJHMSA-N 2 1 282.428 2.181 20 0 CEADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169798919 811664804 /nfs/dbraw/zinc/66/48/04/811664804.db2.gz SSUNCDUINRJZJS-HOTGVXAUSA-N 2 1 297.487 2.391 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206027287 811855278 /nfs/dbraw/zinc/85/52/78/811855278.db2.gz VSABBSWTGMHVKY-OLZOCXBDSA-N 2 1 278.396 2.208 20 0 CEADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655092 811923755 /nfs/dbraw/zinc/92/37/55/811923755.db2.gz GQILRDJWRKJCAG-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CN(C)c1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206173838 815487567 /nfs/dbraw/zinc/48/75/67/815487567.db2.gz KHIHAYRPZSTFPQ-HUUCEWRRSA-N 2 1 265.376 2.014 20 0 CEADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109865765 811962455 /nfs/dbraw/zinc/96/24/55/811962455.db2.gz ZATKREUJOGKAFJ-WCVJEAGWSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001172749506 815503245 /nfs/dbraw/zinc/50/32/45/815503245.db2.gz BRXZUWQWNDRLNQ-HUUCEWRRSA-N 2 1 284.444 2.428 20 0 CEADMP CC(C)CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001113019540 812146437 /nfs/dbraw/zinc/14/64/37/812146437.db2.gz SNOWGALEOWEGTJ-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](CCC[NH3+])C(C)C ZINC001172757000 815507681 /nfs/dbraw/zinc/50/76/81/815507681.db2.gz SMRMOABXIAMEOQ-ZDUSSCGKSA-N 2 1 258.406 2.166 20 0 CEADMP CC[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(C)C)[NH+](C)C ZINC001049727551 812199640 /nfs/dbraw/zinc/19/96/40/812199640.db2.gz KCFMACZMOMWGCA-JYJNAYRXSA-N 2 1 295.471 2.048 20 0 CEADMP CCCC[NH+]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001113341083 812223727 /nfs/dbraw/zinc/22/37/27/812223727.db2.gz JYGURPQWARMHBQ-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP COC(=O)[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001172772602 815516489 /nfs/dbraw/zinc/51/64/89/815516489.db2.gz NFYSJVLLIYNWAN-ILXRZTDVSA-N 2 1 282.428 2.040 20 0 CEADMP CC/C=C\CC[NH+]1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001113571262 812279226 /nfs/dbraw/zinc/27/92/26/812279226.db2.gz DYNIHNHGKMHOMB-SREVYHEPSA-N 2 1 295.471 2.219 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CCO1 ZINC001170176287 812324782 /nfs/dbraw/zinc/32/47/82/812324782.db2.gz VHIBKKMWECZGQE-AJNGGQMLSA-N 2 1 254.418 2.406 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001172793716 815523950 /nfs/dbraw/zinc/52/39/50/815523950.db2.gz WEKPNJVFFGSGGS-KGLIPLIRSA-N 2 1 294.439 2.325 20 0 CEADMP CC[C@H]1C[C@H]([N@H+](C)C2CC[NH+](CC)CC2)CCO1 ZINC001170229596 812361917 /nfs/dbraw/zinc/36/19/17/812361917.db2.gz ZMWNKHBNBFBGAK-CABCVRRESA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@H]1C[C@H]([N@@H+](C)C2CC[NH+](CC)CC2)CCO1 ZINC001170229596 812361926 /nfs/dbraw/zinc/36/19/26/812361926.db2.gz ZMWNKHBNBFBGAK-CABCVRRESA-N 2 1 254.418 2.360 20 0 CEADMP COC(=O)[C@H]1CCC[C@H](n2cc[nH+]c2CCC[NH3+])CC1 ZINC001172786151 815522124 /nfs/dbraw/zinc/52/21/24/815522124.db2.gz QOOCBFBKGVVRIG-STQMWFEESA-N 2 1 279.384 2.069 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC001254515773 812435011 /nfs/dbraw/zinc/43/50/11/812435011.db2.gz CNMSCTUQBRTUMG-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP CC[C@@H](C)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129430486 812494488 /nfs/dbraw/zinc/49/44/88/812494488.db2.gz SWHIFRLUTGDTIG-GDBMZVCRSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000383778782 812505271 /nfs/dbraw/zinc/50/52/71/812505271.db2.gz KPKCHYCTOBSEPP-KRWDZBQOSA-N 2 1 276.424 2.355 20 0 CEADMP CCC[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000383778782 812505276 /nfs/dbraw/zinc/50/52/76/812505276.db2.gz KPKCHYCTOBSEPP-KRWDZBQOSA-N 2 1 276.424 2.355 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CCC1CCCC1 ZINC001129841223 812513217 /nfs/dbraw/zinc/51/32/17/812513217.db2.gz NDTYYMYSLVNKEF-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CC(C)(C)CC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130190433 812543106 /nfs/dbraw/zinc/54/31/06/812543106.db2.gz ZGEYTEAVIWOAAC-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CCCC1CCCC1 ZINC001130421902 812566974 /nfs/dbraw/zinc/56/69/74/812566974.db2.gz NTAZQZXGYAOELO-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP CC(C)=CC[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622740 812591342 /nfs/dbraw/zinc/59/13/42/812591342.db2.gz YCULGPZMUQMSSQ-UHFFFAOYSA-N 2 1 295.471 2.311 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C1 ZINC001172926278 815548361 /nfs/dbraw/zinc/54/83/61/815548361.db2.gz PCWDCTZMWXQHNG-ZACQAIPSSA-N 2 1 296.455 2.035 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C1 ZINC001172926278 815548366 /nfs/dbraw/zinc/54/83/66/815548366.db2.gz PCWDCTZMWXQHNG-ZACQAIPSSA-N 2 1 296.455 2.035 20 0 CEADMP CO[C@H]1CCC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC001172934395 815552207 /nfs/dbraw/zinc/55/22/07/815552207.db2.gz AVTUIIPYHYUMNJ-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)C[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132111606 812789361 /nfs/dbraw/zinc/78/93/61/812789361.db2.gz UADNGLNFTKYASV-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132111606 812789368 /nfs/dbraw/zinc/78/93/68/812789368.db2.gz UADNGLNFTKYASV-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132111606 812789371 /nfs/dbraw/zinc/78/93/71/812789371.db2.gz UADNGLNFTKYASV-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@@H+](C1CCN(C)CC1)[C@H]1CCC[C@@H](OC)C1 ZINC001172941940 815553681 /nfs/dbraw/zinc/55/36/81/815553681.db2.gz MBIGVORRIYLUQL-LSDHHAIUSA-N 2 1 254.418 2.360 20 0 CEADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277030 812818506 /nfs/dbraw/zinc/81/85/06/812818506.db2.gz AFWMWOSMFJUAFP-SHUKXNKTSA-N 2 1 295.471 2.264 20 0 CEADMP CCCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132441126 812857235 /nfs/dbraw/zinc/85/72/35/812857235.db2.gz KVIURWOMAFLJFB-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132441126 812857242 /nfs/dbraw/zinc/85/72/42/812857242.db2.gz KVIURWOMAFLJFB-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132441126 812857245 /nfs/dbraw/zinc/85/72/45/812857245.db2.gz KVIURWOMAFLJFB-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052245280 812954689 /nfs/dbraw/zinc/95/46/89/812954689.db2.gz NTSRCLAVRWFSBE-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001052245280 812954694 /nfs/dbraw/zinc/95/46/94/812954694.db2.gz NTSRCLAVRWFSBE-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001052245280 812954700 /nfs/dbraw/zinc/95/47/00/812954700.db2.gz NTSRCLAVRWFSBE-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](C[NH2+]C(C)C)C1 ZINC001132938652 812960492 /nfs/dbraw/zinc/96/04/92/812960492.db2.gz XIFGURKHRDRTHB-CABCVRRESA-N 2 1 297.487 2.199 20 0 CEADMP CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132938504 812960667 /nfs/dbraw/zinc/96/06/67/812960667.db2.gz UZYNWKOQDUXJCK-CABCVRRESA-N 2 1 297.487 2.201 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052369007 812985094 /nfs/dbraw/zinc/98/50/94/812985094.db2.gz OKSJSSLSASRTKO-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052369007 812985097 /nfs/dbraw/zinc/98/50/97/812985097.db2.gz OKSJSSLSASRTKO-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052369007 812985101 /nfs/dbraw/zinc/98/51/01/812985101.db2.gz OKSJSSLSASRTKO-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(C)C)C1 ZINC001133229670 813013028 /nfs/dbraw/zinc/01/30/28/813013028.db2.gz LULIPEUQSMOQJI-HOTGVXAUSA-N 2 1 297.487 2.058 20 0 CEADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCC[NH2+]1 ZINC000382763482 813091049 /nfs/dbraw/zinc/09/10/49/813091049.db2.gz OLXXFLURIKCUCX-QZTJIDSGSA-N 2 1 287.451 2.192 20 0 CEADMP c1ccc2ncc(CNC[C@@H]3C[N@H+]4CCC[C@H]4CO3)cc2c1 ZINC000387900429 813224179 /nfs/dbraw/zinc/22/41/79/813224179.db2.gz QAABMXNRZXJETR-DLBZAZTESA-N 2 1 297.402 2.188 20 0 CEADMP c1ccc2ncc(C[NH2+]C[C@@H]3CN4CCC[C@H]4CO3)cc2c1 ZINC000387900429 813224185 /nfs/dbraw/zinc/22/41/85/813224185.db2.gz QAABMXNRZXJETR-DLBZAZTESA-N 2 1 297.402 2.188 20 0 CEADMP C[C@@H](COCc1ccccc1)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000390280898 813261813 /nfs/dbraw/zinc/26/18/13/813261813.db2.gz VEYSGWKSVBKJDR-GDBMZVCRSA-N 2 1 262.397 2.120 20 0 CEADMP CC[C@@H](C)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134762954 813321978 /nfs/dbraw/zinc/32/19/78/813321978.db2.gz ITIAXHCGUQMDDV-HUUCEWRRSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC1CCCC1 ZINC001134767480 813322508 /nfs/dbraw/zinc/32/25/08/813322508.db2.gz YNDPPTZJGFIWMN-INIZCTEOSA-N 2 1 295.471 2.145 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134766976 813322610 /nfs/dbraw/zinc/32/26/10/813322610.db2.gz ONHYBONFFWODLC-INIZCTEOSA-N 2 1 297.487 2.391 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]C[C@@H](C)CC ZINC001135436993 813435502 /nfs/dbraw/zinc/43/55/02/813435502.db2.gz JIHODHCFRQXXQW-HNNXBMFYSA-N 2 1 285.476 2.250 20 0 CEADMP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477101 813447136 /nfs/dbraw/zinc/44/71/36/813447136.db2.gz QTNWHRCLGOHNAY-HUUCEWRRSA-N 2 1 297.487 2.391 20 0 CEADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170827987 813475836 /nfs/dbraw/zinc/47/58/36/813475836.db2.gz QHUFJIMABCFYAO-DOTOQJQBSA-N 2 1 296.455 2.131 20 0 CEADMP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170831441 813488454 /nfs/dbraw/zinc/48/84/54/813488454.db2.gz OXLJNPDBZQLVFH-KRWDZBQOSA-N 2 1 296.455 2.131 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396691340 813580379 /nfs/dbraw/zinc/58/03/79/813580379.db2.gz ZEDBQOXRHRNKGG-DOMZBBRYSA-N 2 1 250.361 2.407 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397428099 813618131 /nfs/dbraw/zinc/61/81/31/813618131.db2.gz XLZVDVXKXPYZMQ-QXSJWSMHSA-N 2 1 297.487 2.377 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397428099 813618134 /nfs/dbraw/zinc/61/81/34/813618134.db2.gz XLZVDVXKXPYZMQ-QXSJWSMHSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@@H]([NH3+])CCNc1c[nH+]c2c(Br)cccn12 ZINC001170890716 813619579 /nfs/dbraw/zinc/61/95/79/813619579.db2.gz OINFUNATPULZMB-MRVPVSSYSA-N 2 1 283.173 2.246 20 0 CEADMP CC[C@H](C[C@@H](C)CC)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246089068 813679090 /nfs/dbraw/zinc/67/90/90/813679090.db2.gz OOJGZGUAGDATAF-JKSUJKDBSA-N 2 1 269.477 2.476 20 0 CEADMP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC001246098159 813686678 /nfs/dbraw/zinc/68/66/78/813686678.db2.gz PKYKZODYCZVTOB-XUJVJEKNSA-N 2 1 250.361 2.344 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@]2(C)CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246111550 813704400 /nfs/dbraw/zinc/70/44/00/813704400.db2.gz JDSXXGXISFNXRY-FXUDXRNXSA-N 3 1 267.461 2.417 20 0 CEADMP CCOC(=O)C[C@]1([NH2+][C@@H]2CCCC(C)(C)C2)CC[NH2+]C1 ZINC001246133934 813710796 /nfs/dbraw/zinc/71/07/96/813710796.db2.gz WWGGDFMOFGOONM-CZUORRHYSA-N 2 1 282.428 2.230 20 0 CEADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246207177 813728770 /nfs/dbraw/zinc/72/87/70/813728770.db2.gz XGPZIFOGYOLFFA-MQYQWHSLSA-N 3 1 253.434 2.013 20 0 CEADMP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246298283 813764267 /nfs/dbraw/zinc/76/42/67/813764267.db2.gz AFDACJDMDQPOJV-RRFJBIMHSA-N 2 1 266.429 2.049 20 0 CEADMP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246443404 813820907 /nfs/dbraw/zinc/82/09/07/813820907.db2.gz YBTRLEBJIRAWAC-KGLIPLIRSA-N 2 1 261.413 2.398 20 0 CEADMP COc1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1C ZINC001137004607 813823547 /nfs/dbraw/zinc/82/35/47/813823547.db2.gz GOGMPTBUNWCUIH-UHFFFAOYSA-N 2 1 277.412 2.172 20 0 CEADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246541316 813955876 /nfs/dbraw/zinc/95/58/76/813955876.db2.gz FVCWNSLFNRRLIT-CZUORRHYSA-N 2 1 296.842 2.447 20 0 CEADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)CCc1cnc[nH]1 ZINC001171152975 814003711 /nfs/dbraw/zinc/00/37/11/814003711.db2.gz VGKKFZOILPVMMX-ZDUSSCGKSA-N 2 1 292.427 2.017 20 0 CEADMP [NH3+]C[C@@]1(F)CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246553678 814019683 /nfs/dbraw/zinc/01/96/83/814019683.db2.gz ZTNHIUDRQJXZID-QGZVFWFLSA-N 3 1 297.462 2.452 20 0 CEADMP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246554011 814020181 /nfs/dbraw/zinc/02/01/81/814020181.db2.gz ULRMIUYZZPBSDO-JJXSEGSLSA-N 3 1 267.461 2.499 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246554011 814020182 /nfs/dbraw/zinc/02/01/82/814020182.db2.gz ULRMIUYZZPBSDO-JJXSEGSLSA-N 3 1 267.461 2.499 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C2Cc3ccccc3C2)CCC1(F)F ZINC001246556793 814030515 /nfs/dbraw/zinc/03/05/15/814030515.db2.gz GGLMNUQLLGGGPP-CYBMUJFWSA-N 2 1 266.335 2.070 20 0 CEADMP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCC[C@@H]1C[NH3+] ZINC001246565797 814058206 /nfs/dbraw/zinc/05/82/06/814058206.db2.gz IKJGDCCHMQOAHG-QRNKSROTSA-N 3 1 267.461 2.166 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@](O)(CF)CC1 ZINC001255955817 814059049 /nfs/dbraw/zinc/05/90/49/814059049.db2.gz FCVIVPPQROCCNR-LSDHHAIUSA-N 2 1 274.424 2.293 20 0 CEADMP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001100187567 814070682 /nfs/dbraw/zinc/07/06/82/814070682.db2.gz BOVDZSINQRVPCZ-UYSNPLJNSA-N 2 1 295.471 2.001 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)CCO1 ZINC001246579566 814139774 /nfs/dbraw/zinc/13/97/74/814139774.db2.gz FUGQFUCNPJFMGQ-RBSFLKMASA-N 2 1 254.418 2.395 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCN[C@@H](C(F)(F)F)C2)C1 ZINC001246583858 814160431 /nfs/dbraw/zinc/16/04/31/814160431.db2.gz LCJOCTWFYWPMKN-JHJVBQTASA-N 2 1 293.377 2.120 20 0 CEADMP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246592111 814185445 /nfs/dbraw/zinc/18/54/45/814185445.db2.gz OKRITNGNCIOSPT-CAOSSQGBSA-N 3 1 267.461 2.356 20 0 CEADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246592111 814185447 /nfs/dbraw/zinc/18/54/47/814185447.db2.gz OKRITNGNCIOSPT-CAOSSQGBSA-N 3 1 267.461 2.356 20 0 CEADMP CC1(C[NH3+])C[NH+](C2CCN(c3cccc(F)c3)CC2)C1 ZINC001246592531 814185964 /nfs/dbraw/zinc/18/59/64/814185964.db2.gz CRIFJNJFAKIYOU-UHFFFAOYSA-N 2 1 277.387 2.075 20 0 CEADMP CCOC(=O)[C@]1(C)CCCC[N@H+]([C@H](C)CC[NH2+]C)C1 ZINC001246595285 814190185 /nfs/dbraw/zinc/19/01/85/814190185.db2.gz YVFJVWUGYFREHZ-UKRRQHHQSA-N 2 1 270.417 2.040 20 0 CEADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CCCC2CCC2)C1 ZINC001171226480 814191427 /nfs/dbraw/zinc/19/14/27/814191427.db2.gz HAVDZVVJHSXHQR-INIZCTEOSA-N 2 1 295.471 2.004 20 0 CEADMP CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001091267342 814202544 /nfs/dbraw/zinc/20/25/44/814202544.db2.gz JVDASGMAQAPHLL-GPANFISMSA-N 2 1 295.471 2.144 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(C)C)C1 ZINC001091378818 814225449 /nfs/dbraw/zinc/22/54/49/814225449.db2.gz UXDYCXJRNUJFOU-UYSNPLJNSA-N 2 1 295.471 2.001 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CCC(C(C)(C)C[NH2+]CC)CC1 ZINC001101591415 814285086 /nfs/dbraw/zinc/28/50/86/814285086.db2.gz ZBUCMQYHIQPRTI-UHFFFAOYSA-N 2 1 297.487 2.203 20 0 CEADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294016 814377145 /nfs/dbraw/zinc/37/71/45/814377145.db2.gz CYBMYSLHDXBROZ-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCCC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001102524686 814393358 /nfs/dbraw/zinc/39/33/58/814393358.db2.gz RDKZHXSSINPSBI-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102524686 814393350 /nfs/dbraw/zinc/39/33/50/814393350.db2.gz RDKZHXSSINPSBI-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCCC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524686 814393365 /nfs/dbraw/zinc/39/33/65/814393365.db2.gz RDKZHXSSINPSBI-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@](O)(CF)CC2)CC1 ZINC001256569702 814471004 /nfs/dbraw/zinc/47/10/04/814471004.db2.gz NSZHUNXIRJOAGS-INIZCTEOSA-N 2 1 286.435 2.436 20 0 CEADMP [NH3+]CC1([NH2+]C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173202631 815620130 /nfs/dbraw/zinc/62/01/30/815620130.db2.gz VNHFINBXWWNLLS-UHFFFAOYSA-N 2 1 260.381 2.458 20 0 CEADMP COc1cc2[nH+]ccn2cc1-n1cc2ccc(C[NH3+])cc2n1 ZINC001171323943 814541614 /nfs/dbraw/zinc/54/16/14/814541614.db2.gz RQFJZSDLJVVGSR-UHFFFAOYSA-N 2 1 293.330 2.141 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@](C)(O)[C@@H](F)C2)CC1 ZINC001173110141 815582871 /nfs/dbraw/zinc/58/28/71/815582871.db2.gz PPDNGGBLMYIOLO-SSHXOBKSSA-N 2 1 286.435 2.434 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H](F)C[C@H](CO)C2)CC1 ZINC001173110056 815582979 /nfs/dbraw/zinc/58/29/79/815582979.db2.gz NUIXBEDIZCGQCQ-FXQLRMTLSA-N 2 1 286.435 2.292 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC23COC3)CC1 ZINC001173112730 815584305 /nfs/dbraw/zinc/58/43/05/815584305.db2.gz AFJNMSYQLJUUKS-UHFFFAOYSA-N 2 1 252.402 2.114 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001173113230 815584432 /nfs/dbraw/zinc/58/44/32/815584432.db2.gz LLEDMDCQHDVCEK-GPANFISMSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC000712449819 814748887 /nfs/dbraw/zinc/74/88/87/814748887.db2.gz GJRVVARMJWKGFO-UONOGXRCSA-N 2 1 254.418 2.393 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(CCC2)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000712465053 814749863 /nfs/dbraw/zinc/74/98/63/814749863.db2.gz QXIKWBWTUJEMCN-IZGVIRRGSA-N 2 1 264.413 2.303 20 0 CEADMP CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730375 814751842 /nfs/dbraw/zinc/75/18/42/814751842.db2.gz HMCUXGAQVQUONQ-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ncsc3C1)C2 ZINC001173123470 815587661 /nfs/dbraw/zinc/58/76/61/815587661.db2.gz DNBQBMQQQYEPLJ-RVMXOQNASA-N 2 1 277.437 2.215 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CC[NH2+]CCC23CCC3)C1 ZINC000713240773 814848187 /nfs/dbraw/zinc/84/81/87/814848187.db2.gz DLWHZLIAKYWARB-ZDUSSCGKSA-N 2 1 252.402 2.020 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000714381674 814899043 /nfs/dbraw/zinc/89/90/43/814899043.db2.gz XFOOKSIBMYRXEP-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000714367054 814899983 /nfs/dbraw/zinc/89/99/83/814899983.db2.gz DTXFAGFQFWSIHA-BFHYXJOUSA-N 2 1 254.418 2.393 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@H]1C(F)(F)F ZINC000714785384 814915578 /nfs/dbraw/zinc/91/55/78/814915578.db2.gz ZMBAUCSJBAKJMH-FVCCEPFGSA-N 2 1 276.346 2.492 20 0 CEADMP CC[N@H+]1CC[C@H](n2cc(C[NH3+])c3cccc(OC)c32)C1 ZINC001173353574 815694377 /nfs/dbraw/zinc/69/43/77/815694377.db2.gz OMLOTVKGTZDICE-ZDUSSCGKSA-N 2 1 273.380 2.375 20 0 CEADMP CCN1CC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173354557 815696114 /nfs/dbraw/zinc/69/61/14/815696114.db2.gz PUNOULLYUGDZCV-JYJNAYRXSA-N 2 1 265.445 2.063 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3cnc(Cl)cc23)CC[C@H]1F ZINC001206197926 815703166 /nfs/dbraw/zinc/70/31/66/815703166.db2.gz KLFCYJILQQLBFK-NEPJUHHUSA-N 2 1 296.777 2.478 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)CC[C@H]1F ZINC001206197926 815703173 /nfs/dbraw/zinc/70/31/73/815703173.db2.gz KLFCYJILQQLBFK-NEPJUHHUSA-N 2 1 296.777 2.478 20 0 CEADMP CC[N@@H+]1CC[C@H](N2CC[NH+](C3(c4ccccc4)CC3)CC2)C1 ZINC001173367458 815704947 /nfs/dbraw/zinc/70/49/47/815704947.db2.gz GYZOJEFMNGPYCR-SFHVURJKSA-N 2 1 299.462 2.388 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[NH+](C3(c4ccccc4)CC3)CC2)C1 ZINC001173367458 815704952 /nfs/dbraw/zinc/70/49/52/815704952.db2.gz GYZOJEFMNGPYCR-SFHVURJKSA-N 2 1 299.462 2.388 20 0 CEADMP COc1ccc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206199059 815711586 /nfs/dbraw/zinc/71/15/86/815711586.db2.gz NOEWKPMGSKQOOR-GJZGRUSLSA-N 2 1 266.360 2.265 20 0 CEADMP CC1([NH3+])CC[NH+](C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173476547 815723950 /nfs/dbraw/zinc/72/39/50/815723950.db2.gz BFOSTFOKRHKPGD-UHFFFAOYSA-N 2 1 266.335 2.245 20 0 CEADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](C)CCC[NH+](C)C)CC2 ZINC001173614466 815751615 /nfs/dbraw/zinc/75/16/15/815751615.db2.gz WISBFZDRCVRMBC-CKDBGZEDSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001173665426 815781764 /nfs/dbraw/zinc/78/17/64/815781764.db2.gz SZMPCTKRUAPMAA-HOCLYGCPSA-N 2 1 294.439 2.278 20 0 CEADMP Cc1c2ccccc2[nH]c1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001138400962 815791668 /nfs/dbraw/zinc/79/16/68/815791668.db2.gz ZCJQOGVPGCYHRB-OKILXGFUSA-N 2 1 269.392 2.470 20 0 CEADMP Cc1c2ccccc2[nH]c1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001138400962 815791672 /nfs/dbraw/zinc/79/16/72/815791672.db2.gz ZCJQOGVPGCYHRB-OKILXGFUSA-N 2 1 269.392 2.470 20 0 CEADMP Cc1c2ccccc2[nH]c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001138400962 815791676 /nfs/dbraw/zinc/79/16/76/815791676.db2.gz ZCJQOGVPGCYHRB-OKILXGFUSA-N 2 1 269.392 2.470 20 0 CEADMP Cc1c2ccccc2[nH]c1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001138400962 815791679 /nfs/dbraw/zinc/79/16/79/815791679.db2.gz ZCJQOGVPGCYHRB-OKILXGFUSA-N 2 1 269.392 2.470 20 0 CEADMP Cc1c2ccccc2[nH]c1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001138400962 815791685 /nfs/dbraw/zinc/79/16/85/815791685.db2.gz ZCJQOGVPGCYHRB-OKILXGFUSA-N 2 1 269.392 2.470 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)cc1 ZINC001138544006 815823823 /nfs/dbraw/zinc/82/38/23/815823823.db2.gz AVCXYUBDNACHPK-DYVFJYSZSA-N 2 1 285.391 2.383 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)cc1 ZINC001138544006 815823833 /nfs/dbraw/zinc/82/38/33/815823833.db2.gz AVCXYUBDNACHPK-DYVFJYSZSA-N 2 1 285.391 2.383 20 0 CEADMP CCC[N@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139319509 816004169 /nfs/dbraw/zinc/00/41/69/816004169.db2.gz IYNMJLLTHISEOZ-UHFFFAOYSA-N 2 1 282.457 2.127 20 0 CEADMP CCC[N@@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139319509 816004178 /nfs/dbraw/zinc/00/41/78/816004178.db2.gz IYNMJLLTHISEOZ-UHFFFAOYSA-N 2 1 282.457 2.127 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC)C1 ZINC001174879968 816104869 /nfs/dbraw/zinc/10/48/69/816104869.db2.gz AUJQVBKOLPXZRI-CVEARBPZSA-N 2 1 297.487 2.393 20 0 CEADMP Cc1nccn1-c1ccccc1CN1C[C@@H]2C[C@H]1C[N@@H+]2C ZINC001140027190 816170440 /nfs/dbraw/zinc/17/04/40/816170440.db2.gz BOXRAIIQABLAQV-HOTGVXAUSA-N 2 1 282.391 2.069 20 0 CEADMP Cc1nccn1-c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001140027190 816170442 /nfs/dbraw/zinc/17/04/42/816170442.db2.gz BOXRAIIQABLAQV-HOTGVXAUSA-N 2 1 282.391 2.069 20 0 CEADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(O)ccc1F)CC2 ZINC001140052172 816178008 /nfs/dbraw/zinc/17/80/08/816178008.db2.gz IDZZVOHWCMGQKA-UHFFFAOYSA-N 2 1 264.344 2.059 20 0 CEADMP C[N@H+](Cc1ccc2n[nH]cc2c1)CC1CC[NH+](C)CC1 ZINC001140387926 816249328 /nfs/dbraw/zinc/24/93/28/816249328.db2.gz YIEOIQOHKKTDKW-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP OC[C@]1(C(F)(F)F)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801135 816358431 /nfs/dbraw/zinc/35/84/31/816358431.db2.gz CJWFCRBBNPDSPG-ZDUSSCGKSA-N 2 1 299.296 2.310 20 0 CEADMP OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801135 816358438 /nfs/dbraw/zinc/35/84/38/816358438.db2.gz CJWFCRBBNPDSPG-ZDUSSCGKSA-N 2 1 299.296 2.310 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001140802135 816361847 /nfs/dbraw/zinc/36/18/47/816361847.db2.gz ODKVDAPATPLNGV-YPMHNXCESA-N 2 1 257.337 2.031 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001140802135 816361852 /nfs/dbraw/zinc/36/18/52/816361852.db2.gz ODKVDAPATPLNGV-YPMHNXCESA-N 2 1 257.337 2.031 20 0 CEADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001140975207 816427767 /nfs/dbraw/zinc/42/77/67/816427767.db2.gz QHOAVMLYRQTFLS-MAUKXSAKSA-N 2 1 285.435 2.423 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001176972267 816503225 /nfs/dbraw/zinc/50/32/25/816503225.db2.gz UBEDDZMANYYQBY-UHFFFAOYSA-N 2 1 285.476 2.249 20 0 CEADMP C[NH+](C)CCC[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC001177082114 816511773 /nfs/dbraw/zinc/51/17/73/816511773.db2.gz XZJOPQRECWWCAJ-UHFFFAOYSA-N 2 1 266.776 2.029 20 0 CEADMP Cc1nc(N2CCCCC2)sc1C[NH2+]CCC[NH+](C)C ZINC001177081455 816520242 /nfs/dbraw/zinc/52/02/42/816520242.db2.gz HMLAAFPVXKTJFD-UHFFFAOYSA-N 2 1 296.484 2.483 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1O ZINC001206295005 816525413 /nfs/dbraw/zinc/52/54/13/816525413.db2.gz KWVXKYOISUXHOO-INIZCTEOSA-N 2 1 278.396 2.352 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)cn2)CC1 ZINC001206303619 816560250 /nfs/dbraw/zinc/56/02/50/816560250.db2.gz DZLSUQRVUCGZQC-AWEZNQCLSA-N 2 1 251.349 2.172 20 0 CEADMP COc1ncccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304947 816572184 /nfs/dbraw/zinc/57/21/84/816572184.db2.gz SCKGKVBMWOPQTL-HNNXBMFYSA-N 2 1 263.385 2.041 20 0 CEADMP Cc1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)[nH+]c1 ZINC001206308300 816603704 /nfs/dbraw/zinc/60/37/04/816603704.db2.gz AGAQSGOICJUUEL-UHFFFAOYSA-N 2 1 289.423 2.471 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCSCC1 ZINC001177753965 816614597 /nfs/dbraw/zinc/61/45/97/816614597.db2.gz ZONKGOUOCCVVFT-UHFFFAOYSA-N 2 1 251.399 2.133 20 0 CEADMP CCOC(=O)c1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c[nH]1 ZINC001206325760 816721247 /nfs/dbraw/zinc/72/12/47/816721247.db2.gz JICWHFQKDNDABZ-INIZCTEOSA-N 2 1 293.411 2.142 20 0 CEADMP C[N@H+](Cc1cccn2ccnc12)CC1CC[NH+](C)CC1 ZINC001142956403 816762561 /nfs/dbraw/zinc/76/25/61/816762561.db2.gz UGUFTGSGOOAXCU-UHFFFAOYSA-N 2 1 272.396 2.108 20 0 CEADMP [NH3+]C[C@]1(F)CCCC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206334875 816765296 /nfs/dbraw/zinc/76/52/96/816765296.db2.gz AHTFQOPGWPETSW-LJISPDSOSA-N 2 1 252.377 2.352 20 0 CEADMP [NH3+]C[C@]1(F)CCCC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206334875 816765303 /nfs/dbraw/zinc/76/53/03/816765303.db2.gz AHTFQOPGWPETSW-LJISPDSOSA-N 2 1 252.377 2.352 20 0 CEADMP CC(C)C[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179586472 816879295 /nfs/dbraw/zinc/87/92/95/816879295.db2.gz PAQNJNKDHADWPR-MRXNPFEDSA-N 2 1 297.487 2.250 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001179593106 816881367 /nfs/dbraw/zinc/88/13/67/816881367.db2.gz VIQQLNXMVKKCCZ-UHFFFAOYSA-N 2 1 285.476 2.250 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000601267978 346807390 /nfs/dbraw/zinc/80/73/90/346807390.db2.gz ZNVSRSABRVJTFU-UQPPLGOBSA-N 2 1 296.455 2.428 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H]3CCC[C@H]32)CC1 ZINC000337437508 214079740 /nfs/dbraw/zinc/07/97/40/214079740.db2.gz XXPFGZQEJSUGDR-IAGOWNOFSA-N 2 1 279.472 2.277 20 0 CEADMP Cc1ccncc1N1CC[NH+](Cc2cccn2C)CC1 ZINC000336204418 365526285 /nfs/dbraw/zinc/52/62/85/365526285.db2.gz NONVRRFRCRNPIS-UHFFFAOYSA-N 2 1 270.380 2.051 20 0 CEADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cnn(C)c1 ZINC000121419451 365566554 /nfs/dbraw/zinc/56/65/54/365566554.db2.gz RPVOOYUNYDXRSA-WFASDCNBSA-N 2 1 275.400 2.302 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000336527945 365599965 /nfs/dbraw/zinc/59/99/65/365599965.db2.gz SLJQRDJOCHTFDR-LBPRGKRZSA-N 2 1 260.341 2.014 20 0 CEADMP Cn1cccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000121804329 365616967 /nfs/dbraw/zinc/61/69/67/365616967.db2.gz IXXJMFFGBRJAIV-UHFFFAOYSA-N 2 1 272.396 2.213 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)CCO1 ZINC000449166495 282128599 /nfs/dbraw/zinc/12/85/99/282128599.db2.gz DEYSOGLPDHNTPN-GBJTYRQASA-N 2 1 254.418 2.264 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000621328104 349562407 /nfs/dbraw/zinc/56/24/07/349562407.db2.gz GVTQVRPUFUAROW-ZDUSSCGKSA-N 2 1 275.396 2.054 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000621328104 349562409 /nfs/dbraw/zinc/56/24/09/349562409.db2.gz GVTQVRPUFUAROW-ZDUSSCGKSA-N 2 1 275.396 2.054 20 0 CEADMP CC(C)CC[C@H](O)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000567678969 299074111 /nfs/dbraw/zinc/07/41/11/299074111.db2.gz GPXPFOLAMZIXEW-INIZCTEOSA-N 2 1 298.471 2.018 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000621380787 349588662 /nfs/dbraw/zinc/58/86/62/349588662.db2.gz FATIBAUGOOMSKL-AWEZNQCLSA-N 2 1 256.434 2.201 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337760367 214250145 /nfs/dbraw/zinc/25/01/45/214250145.db2.gz OQTHNFSZERSWNF-INIZCTEOSA-N 2 1 262.397 2.435 20 0 CEADMP c1ccc2c(c1)CC([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000036997092 361880261 /nfs/dbraw/zinc/88/02/61/361880261.db2.gz MIGSOOFNXCNGJA-DLBZAZTESA-N 2 1 256.393 2.370 20 0 CEADMP c1ccc2c(c1)CC([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000036997092 361880264 /nfs/dbraw/zinc/88/02/64/361880264.db2.gz MIGSOOFNXCNGJA-DLBZAZTESA-N 2 1 256.393 2.370 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000037644608 361917548 /nfs/dbraw/zinc/91/75/48/361917548.db2.gz MVPPBSRTUCNLPH-INIZCTEOSA-N 2 1 284.407 2.304 20 0 CEADMP C[C@@H]1CCC[C@@](C[NH2+]C2CCOCC2)([NH+](C)C)C1 ZINC000040668745 361995869 /nfs/dbraw/zinc/99/58/69/361995869.db2.gz LCHRCTRUIDOSTA-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621645445 349650228 /nfs/dbraw/zinc/65/02/28/349650228.db2.gz GVMZMHQMVYOUIV-OWCLPIDISA-N 2 1 295.471 2.145 20 0 CEADMP COC[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668588358 539204787 /nfs/dbraw/zinc/20/47/87/539204787.db2.gz YVJACOKEKLOOHN-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP COC[C@@H](C)C[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668588358 539204788 /nfs/dbraw/zinc/20/47/88/539204788.db2.gz YVJACOKEKLOOHN-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CC1=CCCOC1 ZINC000668568990 539200695 /nfs/dbraw/zinc/20/06/95/539200695.db2.gz QVXFBDCUKIPCHU-UHFFFAOYSA-N 2 1 298.390 2.354 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000621776888 349699006 /nfs/dbraw/zinc/69/90/06/349699006.db2.gz ZIRRBGCIQWGEIC-MRXNPFEDSA-N 2 1 289.423 2.302 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCCc1ccsc1)C2 ZINC000621784374 349702089 /nfs/dbraw/zinc/70/20/89/349702089.db2.gz OCBGHRAJSHTGMK-KGLIPLIRSA-N 2 1 250.411 2.494 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCCc1ccsc1)C2 ZINC000621784374 349702093 /nfs/dbraw/zinc/70/20/93/349702093.db2.gz OCBGHRAJSHTGMK-KGLIPLIRSA-N 2 1 250.411 2.494 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782236 349702452 /nfs/dbraw/zinc/70/24/52/349702452.db2.gz NYMQPQHYHHJLEQ-GDBMZVCRSA-N 2 1 259.397 2.066 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782236 349702454 /nfs/dbraw/zinc/70/24/54/349702454.db2.gz NYMQPQHYHHJLEQ-GDBMZVCRSA-N 2 1 259.397 2.066 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccn1 ZINC000621776226 349697906 /nfs/dbraw/zinc/69/79/06/349697906.db2.gz GMLYQFLNTGABCD-BRWVUGGUSA-N 2 1 289.423 2.251 20 0 CEADMP CO[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000091772276 539228080 /nfs/dbraw/zinc/22/80/80/539228080.db2.gz PTRBGHNNHUZZKA-QGZVFWFLSA-N 2 1 292.423 2.238 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CCOc3ccccc31)C2 ZINC000622004534 349764790 /nfs/dbraw/zinc/76/47/90/349764790.db2.gz QGGMRLPHYCQHOI-CPUCHLNUSA-N 2 1 272.392 2.366 20 0 CEADMP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C1 ZINC000668741690 539256877 /nfs/dbraw/zinc/25/68/77/539256877.db2.gz YLOUPUOQFDKFBN-MRXNPFEDSA-N 2 1 299.418 2.199 20 0 CEADMP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C1 ZINC000668741690 539256878 /nfs/dbraw/zinc/25/68/78/539256878.db2.gz YLOUPUOQFDKFBN-MRXNPFEDSA-N 2 1 299.418 2.199 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H]2CC=CCC2)CCO1 ZINC000668785370 539272231 /nfs/dbraw/zinc/27/22/31/539272231.db2.gz PCEJVEPQASBZDB-JKSUJKDBSA-N 2 1 266.429 2.385 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000290359256 197683812 /nfs/dbraw/zinc/68/38/12/197683812.db2.gz MPHJBBYILYOOOK-NSHDSACASA-N 2 1 294.424 2.271 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)s1 ZINC000040997662 362010371 /nfs/dbraw/zinc/01/03/71/362010371.db2.gz WGPMCLXKJHLZGJ-OUJBWJOFSA-N 2 1 253.415 2.270 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)s1 ZINC000040997662 362010379 /nfs/dbraw/zinc/01/03/79/362010379.db2.gz WGPMCLXKJHLZGJ-OUJBWJOFSA-N 2 1 253.415 2.270 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000180442357 539294594 /nfs/dbraw/zinc/29/45/94/539294594.db2.gz AOGXHVARLOZNIN-WDEREUQCSA-N 2 1 261.373 2.210 20 0 CEADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440112648 539311090 /nfs/dbraw/zinc/31/10/90/539311090.db2.gz WWIKIRLPGKGPON-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000037826049 343431537 /nfs/dbraw/zinc/43/15/37/343431537.db2.gz PJRLVXXYYCKDHV-INIZCTEOSA-N 2 1 283.460 2.083 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449510718 282264707 /nfs/dbraw/zinc/26/47/07/282264707.db2.gz LVWFSQXYIMJSKK-JONQDZQNSA-N 2 1 294.439 2.325 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000044535831 343474306 /nfs/dbraw/zinc/47/43/06/343474306.db2.gz GTSYEDAWRRYBIL-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP COCC(COC)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449534469 282275445 /nfs/dbraw/zinc/27/54/45/282275445.db2.gz CIEXFSLBEXSYPE-WMLDXEAASA-N 2 1 298.471 2.281 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCS[C@H](C)[C@H]1C ZINC000336688426 365759335 /nfs/dbraw/zinc/75/93/35/365759335.db2.gz HFSWWHJBLMZURN-VXGBXAGGSA-N 2 1 253.415 2.407 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000336688426 365759339 /nfs/dbraw/zinc/75/93/39/365759339.db2.gz HFSWWHJBLMZURN-VXGBXAGGSA-N 2 1 253.415 2.407 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCC(C)(C)O2)CC1 ZINC000336691919 365761675 /nfs/dbraw/zinc/76/16/75/365761675.db2.gz ALGSBFSZDFXHOY-AWEZNQCLSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCC(C)(C)O2)CC1 ZINC000336691919 365761681 /nfs/dbraw/zinc/76/16/81/365761681.db2.gz ALGSBFSZDFXHOY-AWEZNQCLSA-N 2 1 254.418 2.360 20 0 CEADMP Cc1cccn2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cnc12 ZINC000449556760 282282131 /nfs/dbraw/zinc/28/21/31/282282131.db2.gz OHLMWGFXVOMTET-GOOCMWNKSA-N 2 1 284.407 2.358 20 0 CEADMP Cc1cccn2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cnc12 ZINC000449556760 282282133 /nfs/dbraw/zinc/28/21/33/282282133.db2.gz OHLMWGFXVOMTET-GOOCMWNKSA-N 2 1 284.407 2.358 20 0 CEADMP C[C@@H](Cc1ccsc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128244677 365780573 /nfs/dbraw/zinc/78/05/73/365780573.db2.gz RLKCLMQHIMRLLP-HNNXBMFYSA-N 2 1 295.496 2.296 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC000449560387 282283366 /nfs/dbraw/zinc/28/33/66/282283366.db2.gz KHUPTHOESMMKDP-WYTLAEOISA-N 2 1 294.439 2.179 20 0 CEADMP Clc1cccnc1OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090408274 344139000 /nfs/dbraw/zinc/13/90/00/344139000.db2.gz BIZHDIBFXLFZQN-CHWSQXEVSA-N 2 1 295.814 2.330 20 0 CEADMP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000090722617 344142944 /nfs/dbraw/zinc/14/29/44/344142944.db2.gz JALIAJXGZBQANJ-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccs1 ZINC000049530469 362370163 /nfs/dbraw/zinc/37/01/63/362370163.db2.gz WXRPNGMNTFZAOI-STQMWFEESA-N 2 1 268.426 2.246 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000123311785 344309653 /nfs/dbraw/zinc/30/96/53/344309653.db2.gz DSMPDBOWMZWPMH-KBPBESRZSA-N 2 1 278.396 2.276 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000123312033 344309720 /nfs/dbraw/zinc/30/97/20/344309720.db2.gz DSMPDBOWMZWPMH-UONOGXRCSA-N 2 1 278.396 2.276 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(C)o2)CC1 ZINC000052208821 362470221 /nfs/dbraw/zinc/47/02/21/362470221.db2.gz GLINHPSRLADTNI-UHFFFAOYSA-N 2 1 280.416 2.322 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(C)o2)CC1 ZINC000052208821 362470224 /nfs/dbraw/zinc/47/02/24/362470224.db2.gz GLINHPSRLADTNI-UHFFFAOYSA-N 2 1 280.416 2.322 20 0 CEADMP COC[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351601860 219142928 /nfs/dbraw/zinc/14/29/28/219142928.db2.gz XAYBBTLIHRTPBO-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351601860 219142931 /nfs/dbraw/zinc/14/29/31/219142931.db2.gz XAYBBTLIHRTPBO-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351601860 219142933 /nfs/dbraw/zinc/14/29/33/219142933.db2.gz XAYBBTLIHRTPBO-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)O[C@@H](C)C2 ZINC000251902745 344637767 /nfs/dbraw/zinc/63/77/67/344637767.db2.gz WNWFNSDURVSMKQ-AGIUHOORSA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(cc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)O[C@@H](C)C2 ZINC000251902745 344637771 /nfs/dbraw/zinc/63/77/71/344637771.db2.gz WNWFNSDURVSMKQ-AGIUHOORSA-N 2 1 290.407 2.188 20 0 CEADMP CCc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000310303342 344730445 /nfs/dbraw/zinc/73/04/45/344730445.db2.gz UXGFEAWMGDELBF-NWDGAFQWSA-N 2 1 250.411 2.352 20 0 CEADMP CC1CCC(O)(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000311782785 344735829 /nfs/dbraw/zinc/73/58/29/344735829.db2.gz ZBZIRMIOQLMYPK-UHFFFAOYSA-N 2 1 266.429 2.144 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)CCCO1 ZINC000313356642 344742272 /nfs/dbraw/zinc/74/22/72/344742272.db2.gz ORRDBCUCPPIFMH-OAHLLOKOSA-N 2 1 298.814 2.159 20 0 CEADMP [NH3+]C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CCCO1 ZINC000313351227 344742285 /nfs/dbraw/zinc/74/22/85/344742285.db2.gz NLABWAIUHLFDBT-GFCCVEGCSA-N 2 1 291.782 2.442 20 0 CEADMP C[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000355913813 530048288 /nfs/dbraw/zinc/04/82/88/530048288.db2.gz GAARUKPAJZKHOX-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCCC2(C)C)[C@H](C)C1 ZINC000449780180 282364920 /nfs/dbraw/zinc/36/49/20/282364920.db2.gz FPCHLFFKAFSZOH-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@@H+]2CCCC2(C)C)[C@H](C)C1 ZINC000449780180 282364922 /nfs/dbraw/zinc/36/49/22/282364922.db2.gz FPCHLFFKAFSZOH-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@H+]2CCCC2(C)C)[C@H](C)C1 ZINC000449780180 282364926 /nfs/dbraw/zinc/36/49/26/282364926.db2.gz FPCHLFFKAFSZOH-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000401767802 344869991 /nfs/dbraw/zinc/86/99/91/344869991.db2.gz MSTCOKAWUGMRDV-UHFFFAOYSA-N 2 1 254.337 2.234 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])oc1C ZINC000404365386 344880199 /nfs/dbraw/zinc/88/01/99/344880199.db2.gz PHBSWCZNFRKJIX-ABAIWWIYSA-N 2 1 294.395 2.324 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])oc1C ZINC000404365386 344880202 /nfs/dbraw/zinc/88/02/02/344880202.db2.gz PHBSWCZNFRKJIX-ABAIWWIYSA-N 2 1 294.395 2.324 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)n(-c2cc[nH+]cc2)n1 ZINC000668113959 539419390 /nfs/dbraw/zinc/41/93/90/539419390.db2.gz FVNBNHLAOZUNLW-DLBZAZTESA-N 2 1 298.390 2.411 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000351618053 219148355 /nfs/dbraw/zinc/14/83/55/219148355.db2.gz DZLYIUJTEXYWQN-UKRRQHHQSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000351618053 219148356 /nfs/dbraw/zinc/14/83/56/219148356.db2.gz DZLYIUJTEXYWQN-UKRRQHHQSA-N 2 1 265.401 2.065 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000584593930 344960411 /nfs/dbraw/zinc/96/04/11/344960411.db2.gz PGKCSEBAZVQLQA-GFCCVEGCSA-N 2 1 288.370 2.387 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000584593930 344960415 /nfs/dbraw/zinc/96/04/15/344960415.db2.gz PGKCSEBAZVQLQA-GFCCVEGCSA-N 2 1 288.370 2.387 20 0 CEADMP CC(C)COc1ccccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000588671593 345050858 /nfs/dbraw/zinc/05/08/58/345050858.db2.gz QBWUGVLATZTWHI-HOTGVXAUSA-N 2 1 274.408 2.373 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C[C@H]1C ZINC000591275585 345236428 /nfs/dbraw/zinc/23/64/28/345236428.db2.gz HGNXUSUCUOGEIJ-LXTVHRRPSA-N 2 1 282.428 2.086 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591866855 345289446 /nfs/dbraw/zinc/28/94/46/345289446.db2.gz HXANJVBTWJBHTC-HNNXBMFYSA-N 2 1 292.427 2.169 20 0 CEADMP CCCN(CCC)C(=O)CN1CCC[C@H](n2ccnc2)C1 ZINC000591866855 345289450 /nfs/dbraw/zinc/28/94/50/345289450.db2.gz HXANJVBTWJBHTC-HNNXBMFYSA-N 2 1 292.427 2.169 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)[C@@H]1SC ZINC000592169887 345333746 /nfs/dbraw/zinc/33/37/46/345333746.db2.gz YOZBLTXZBVYTMW-YJNKXOJESA-N 2 1 286.485 2.359 20 0 CEADMP C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)CC(C)(C)C[NH3+] ZINC000229369615 539465229 /nfs/dbraw/zinc/46/52/29/539465229.db2.gz OZHATGMRDSCVKP-ZDUSSCGKSA-N 2 1 254.418 2.395 20 0 CEADMP CCSCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593729439 345528597 /nfs/dbraw/zinc/52/85/97/345528597.db2.gz DYZDLERHEVLMIW-MJBXVCDLSA-N 2 1 272.458 2.100 20 0 CEADMP COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCCc1c[nH+]cn1C ZINC000593968847 345557590 /nfs/dbraw/zinc/55/75/90/345557590.db2.gz SEQNTTCVFZIHPB-GOEBONIOSA-N 2 1 293.411 2.064 20 0 CEADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NC(C)(C)C ZINC000116396521 232200307 /nfs/dbraw/zinc/20/03/07/232200307.db2.gz HDXATKYMLBGUGV-CHWSQXEVSA-N 2 1 285.476 2.246 20 0 CEADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NC(C)(C)C ZINC000116396513 232200318 /nfs/dbraw/zinc/20/03/18/232200318.db2.gz HDXATKYMLBGUGV-STQMWFEESA-N 2 1 285.476 2.246 20 0 CEADMP C[C@H]1C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1C ZINC000125870660 232208961 /nfs/dbraw/zinc/20/89/61/232208961.db2.gz JVFLAKDWQCFOHH-ZNMIVQPWSA-N 2 1 269.477 2.425 20 0 CEADMP CC(C)OC(=O)C[C@@H]([NH2+]C1CC[NH+](C)CC1)C(C)C ZINC000594626131 345663320 /nfs/dbraw/zinc/66/33/20/345663320.db2.gz WBOMAJFOKBBQMD-CQSZACIVSA-N 2 1 270.417 2.037 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1scnc1C1CC1 ZINC000623085912 349933840 /nfs/dbraw/zinc/93/38/40/349933840.db2.gz MYFGVHGFNOXZHV-UHFFFAOYSA-N 2 1 262.382 2.086 20 0 CEADMP CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000595447676 345784861 /nfs/dbraw/zinc/78/48/61/345784861.db2.gz IFMOAYNOSAXDKT-RRFJBIMHSA-N 2 1 288.501 2.341 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])[NH+]1CCCC1 ZINC000310844942 201880341 /nfs/dbraw/zinc/88/03/41/201880341.db2.gz IEAYDHILVGZKID-LSDHHAIUSA-N 3 1 255.450 2.214 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCn2cc(Cl)cn2)[C@H](C)C1 ZINC000459373916 290129452 /nfs/dbraw/zinc/12/94/52/290129452.db2.gz IQOSLBBKCRPSQD-OCCSQVGLSA-N 2 1 284.835 2.199 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCn2cc(Cl)cn2)[C@H](C)C1 ZINC000459373916 290129453 /nfs/dbraw/zinc/12/94/53/290129453.db2.gz IQOSLBBKCRPSQD-OCCSQVGLSA-N 2 1 284.835 2.199 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2cc(Cl)cn2)[C@H](C)C1 ZINC000459373916 290129454 /nfs/dbraw/zinc/12/94/54/290129454.db2.gz IQOSLBBKCRPSQD-OCCSQVGLSA-N 2 1 284.835 2.199 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000063121054 362750810 /nfs/dbraw/zinc/75/08/10/362750810.db2.gz OMDHYOKRDZGNPT-UHFFFAOYSA-N 2 1 290.407 2.247 20 0 CEADMP CC1CC[NH+](CCCCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000599312634 346497101 /nfs/dbraw/zinc/49/71/01/346497101.db2.gz SBZRBKGIYSPWJE-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC000336799150 365825493 /nfs/dbraw/zinc/82/54/93/365825493.db2.gz HOEKGJRAJKTNOB-INIZCTEOSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000336799150 365825501 /nfs/dbraw/zinc/82/55/01/365825501.db2.gz HOEKGJRAJKTNOB-INIZCTEOSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000336799150 365825507 /nfs/dbraw/zinc/82/55/07/365825507.db2.gz HOEKGJRAJKTNOB-INIZCTEOSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000336799287 365825560 /nfs/dbraw/zinc/82/55/60/365825560.db2.gz ICKCODMCPBVJPP-CVEARBPZSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000336799287 365825566 /nfs/dbraw/zinc/82/55/66/365825566.db2.gz ICKCODMCPBVJPP-CVEARBPZSA-N 2 1 266.429 2.077 20 0 CEADMP CCOC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000600144553 346605520 /nfs/dbraw/zinc/60/55/20/346605520.db2.gz LTDKMFDSXDASHG-CYBMUJFWSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129201487 365835613 /nfs/dbraw/zinc/83/56/13/365835613.db2.gz ANHIODCUMQVIPB-JKSUJKDBSA-N 2 1 274.408 2.402 20 0 CEADMP C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000600965672 346721179 /nfs/dbraw/zinc/72/11/79/346721179.db2.gz TYWJCHBJNDMNIH-HLLBOEOZSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC000600980964 346725648 /nfs/dbraw/zinc/72/56/48/346725648.db2.gz QRDAXRHSUOLCCL-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000600980964 346725649 /nfs/dbraw/zinc/72/56/49/346725649.db2.gz QRDAXRHSUOLCCL-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000600980964 346725650 /nfs/dbraw/zinc/72/56/50/346725650.db2.gz QRDAXRHSUOLCCL-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000600980964 346725651 /nfs/dbraw/zinc/72/56/51/346725651.db2.gz QRDAXRHSUOLCCL-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000600980964 346725653 /nfs/dbraw/zinc/72/56/53/346725653.db2.gz QRDAXRHSUOLCCL-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000601026209 346734599 /nfs/dbraw/zinc/73/45/99/346734599.db2.gz FROAYYIRVRKFMY-MRXNPFEDSA-N 2 1 295.471 2.243 20 0 CEADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CCOCC1 ZINC000336818982 365864516 /nfs/dbraw/zinc/86/45/16/365864516.db2.gz XSAYRTCKYZZFNC-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000336820250 365866284 /nfs/dbraw/zinc/86/62/84/365866284.db2.gz CGOUWOIQEMCVLX-MRXNPFEDSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000336820250 365866287 /nfs/dbraw/zinc/86/62/87/365866287.db2.gz CGOUWOIQEMCVLX-MRXNPFEDSA-N 2 1 276.428 2.140 20 0 CEADMP C[N@H+](CCn1cc(Cl)cn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000459465433 290156871 /nfs/dbraw/zinc/15/68/71/290156871.db2.gz OJNFWEXTKBWWEM-PBWFPOADSA-N 2 1 282.819 2.094 20 0 CEADMP C[N@@H+](CCn1cc(Cl)cn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000459465433 290156872 /nfs/dbraw/zinc/15/68/72/290156872.db2.gz OJNFWEXTKBWWEM-PBWFPOADSA-N 2 1 282.819 2.094 20 0 CEADMP C[NH+](CCn1cc(Cl)cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459465433 290156873 /nfs/dbraw/zinc/15/68/73/290156873.db2.gz OJNFWEXTKBWWEM-PBWFPOADSA-N 2 1 282.819 2.094 20 0 CEADMP C[NH+](CCn1cc(Cl)cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459465433 290156874 /nfs/dbraw/zinc/15/68/74/290156874.db2.gz OJNFWEXTKBWWEM-PBWFPOADSA-N 2 1 282.819 2.094 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2nc(C)no2)C[C@@H]1C ZINC000336822954 365876123 /nfs/dbraw/zinc/87/61/23/365876123.db2.gz NNQOWCAAQQGEBI-JSGCOSHPSA-N 2 1 280.416 2.115 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2nc(C)no2)C[C@@H]1C ZINC000336822954 365876132 /nfs/dbraw/zinc/87/61/32/365876132.db2.gz NNQOWCAAQQGEBI-JSGCOSHPSA-N 2 1 280.416 2.115 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2nc(C)no2)C[C@@H]1C ZINC000336822954 365876135 /nfs/dbraw/zinc/87/61/35/365876135.db2.gz NNQOWCAAQQGEBI-JSGCOSHPSA-N 2 1 280.416 2.115 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H](C)C[NH3+])cc1)C(C)C ZINC000236923064 370655951 /nfs/dbraw/zinc/65/59/51/370655951.db2.gz KYMQESAJUJENAR-CQSZACIVSA-N 2 1 291.439 2.336 20 0 CEADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000602711831 347164923 /nfs/dbraw/zinc/16/49/23/347164923.db2.gz RKMTXXBLCOOWII-ILXRZTDVSA-N 2 1 284.444 2.425 20 0 CEADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000602711831 347164927 /nfs/dbraw/zinc/16/49/27/347164927.db2.gz RKMTXXBLCOOWII-ILXRZTDVSA-N 2 1 284.444 2.425 20 0 CEADMP CCC[C@H](C(=O)N(CC)C[C@H]1CCC[N@H+]1CC)[NH+](C)C ZINC000568344534 299138524 /nfs/dbraw/zinc/13/85/24/299138524.db2.gz UGOAMOBMHLEBOL-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP CCOC(=O)[C@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110030 347288787 /nfs/dbraw/zinc/28/87/87/347288787.db2.gz KDKRTGZLJIKTNN-AWEZNQCLSA-N 2 1 270.417 2.136 20 0 CEADMP CCOC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110030 347288788 /nfs/dbraw/zinc/28/87/88/347288788.db2.gz KDKRTGZLJIKTNN-AWEZNQCLSA-N 2 1 270.417 2.136 20 0 CEADMP Cc1ncc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000339287197 215068066 /nfs/dbraw/zinc/06/80/66/215068066.db2.gz PHBKFESELPIFRH-CQSZACIVSA-N 2 1 276.428 2.387 20 0 CEADMP c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000603517160 347377658 /nfs/dbraw/zinc/37/76/58/347377658.db2.gz GKTFUMJCEMMIMJ-KRWDZBQOSA-N 2 1 274.408 2.420 20 0 CEADMP CC(C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC1CC1 ZINC000603933050 347399880 /nfs/dbraw/zinc/39/98/80/347399880.db2.gz ZZMMFRUOUQFXCN-UHFFFAOYSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1nccn1CC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000336824110 365880369 /nfs/dbraw/zinc/88/03/69/365880369.db2.gz STFYOCAIWKXVQZ-HUUCEWRRSA-N 2 1 295.452 2.178 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000336824110 365880374 /nfs/dbraw/zinc/88/03/74/365880374.db2.gz STFYOCAIWKXVQZ-HUUCEWRRSA-N 2 1 295.452 2.178 20 0 CEADMP CO[C@@H]1CC[N@H+](CCCCC2CCOCC2)[C@H](C[NH3+])C1 ZINC000336831895 365896168 /nfs/dbraw/zinc/89/61/68/365896168.db2.gz SEUSABZEZNSECT-JKSUJKDBSA-N 2 1 284.444 2.021 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCCC2CCOCC2)[C@H](C[NH3+])C1 ZINC000336831895 365896177 /nfs/dbraw/zinc/89/61/77/365896177.db2.gz SEUSABZEZNSECT-JKSUJKDBSA-N 2 1 284.444 2.021 20 0 CEADMP CC(C)C1CCC([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000608056265 347558298 /nfs/dbraw/zinc/55/82/98/347558298.db2.gz KCTYHHZTMZHTRG-UHFFFAOYSA-N 2 1 268.445 2.248 20 0 CEADMP c1[nH]nc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc12 ZINC000129904561 365904761 /nfs/dbraw/zinc/90/47/61/365904761.db2.gz PTUDBCCUYLZTCQ-HNNXBMFYSA-N 2 1 284.407 2.481 20 0 CEADMP c1[nH]nc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc12 ZINC000129904561 365904763 /nfs/dbraw/zinc/90/47/63/365904763.db2.gz PTUDBCCUYLZTCQ-HNNXBMFYSA-N 2 1 284.407 2.481 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C(C)C)C1(CO)CCCC1 ZINC000459548856 290175660 /nfs/dbraw/zinc/17/56/60/290175660.db2.gz YOANBZXGZJTFCZ-OAHLLOKOSA-N 2 1 279.428 2.358 20 0 CEADMP Cc1ccccc1OCCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351852368 219227096 /nfs/dbraw/zinc/22/70/96/219227096.db2.gz NEXTVGRBAYXONX-LSDHHAIUSA-N 2 1 262.397 2.433 20 0 CEADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1([NH+](C)C)CC1 ZINC000611977175 347831089 /nfs/dbraw/zinc/83/10/89/347831089.db2.gz CAKDEZFDGFVKAF-UHFFFAOYSA-N 2 1 275.396 2.089 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000308714427 539578282 /nfs/dbraw/zinc/57/82/82/539578282.db2.gz SWLATJMQGWNQHZ-RRFJBIMHSA-N 2 1 256.434 2.246 20 0 CEADMP Cc1ccc(CCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000339407516 215151966 /nfs/dbraw/zinc/15/19/66/215151966.db2.gz OJCNGNNPXVYMFW-BBWFWOEESA-N 2 1 273.424 2.382 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000339407115 215153840 /nfs/dbraw/zinc/15/38/40/215153840.db2.gz LGWHMHDBEMICCI-HNNXBMFYSA-N 2 1 262.397 2.387 20 0 CEADMP CC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCOC(C)(C)C1 ZINC000351949502 219260212 /nfs/dbraw/zinc/26/02/12/219260212.db2.gz PYEOZJATYHGMPT-CQSZACIVSA-N 2 1 265.401 2.471 20 0 CEADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCOC(C)(C)C1 ZINC000351949502 219260214 /nfs/dbraw/zinc/26/02/14/219260214.db2.gz PYEOZJATYHGMPT-CQSZACIVSA-N 2 1 265.401 2.471 20 0 CEADMP c1cc(CC[NH+]2CCC([NH2+]CC3CC3)CC2)ccn1 ZINC000066991704 362899304 /nfs/dbraw/zinc/89/93/04/362899304.db2.gz PUAXNLNSZZKZCP-UHFFFAOYSA-N 2 1 259.397 2.088 20 0 CEADMP c1ccc(OCCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357056229 233000527 /nfs/dbraw/zinc/00/05/27/233000527.db2.gz SIXYIZVBUWCPDQ-CVEARBPZSA-N 2 1 274.408 2.387 20 0 CEADMP FC(F)Oc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357061233 233001515 /nfs/dbraw/zinc/00/15/15/233001515.db2.gz ZUWWTBYSUMXYCI-STQMWFEESA-N 2 1 282.334 2.329 20 0 CEADMP FC(F)Oc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357061233 233001518 /nfs/dbraw/zinc/00/15/18/233001518.db2.gz ZUWWTBYSUMXYCI-STQMWFEESA-N 2 1 282.334 2.329 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC(C)(C)CCC[NH+](C)C ZINC000456160748 539626291 /nfs/dbraw/zinc/62/62/91/539626291.db2.gz CIYYYKRPKDKVFV-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000232607262 539627063 /nfs/dbraw/zinc/62/70/63/539627063.db2.gz LZNRECMFKKMNMG-UHFFFAOYSA-N 2 1 276.424 2.389 20 0 CEADMP C[NH+](C)C1(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)CCCC1 ZINC000623342493 349993393 /nfs/dbraw/zinc/99/33/93/349993393.db2.gz CKHBIVXBAJKCEP-AWEZNQCLSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623355577 349997039 /nfs/dbraw/zinc/99/70/39/349997039.db2.gz OSUFOGJGXVYCKX-HUUCEWRRSA-N 2 1 267.461 2.323 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623361815 349999287 /nfs/dbraw/zinc/99/92/87/349999287.db2.gz QOUTYQFYDSOSIS-GFCCVEGCSA-N 2 1 297.393 2.462 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623361815 349999289 /nfs/dbraw/zinc/99/92/89/349999289.db2.gz QOUTYQFYDSOSIS-GFCCVEGCSA-N 2 1 297.393 2.462 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000616993653 348601172 /nfs/dbraw/zinc/60/11/72/348601172.db2.gz KXZDHRWNAFMMDH-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616993653 348601176 /nfs/dbraw/zinc/60/11/76/348601176.db2.gz KXZDHRWNAFMMDH-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616993653 348601178 /nfs/dbraw/zinc/60/11/78/348601178.db2.gz KXZDHRWNAFMMDH-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCC[NH+]1CCCC1(C)C ZINC000457056390 539654783 /nfs/dbraw/zinc/65/47/83/539654783.db2.gz NRSTVAPDZKREAE-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457056390 539654788 /nfs/dbraw/zinc/65/47/88/539654788.db2.gz NRSTVAPDZKREAE-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCC(=O)NCC[N@H+]1CCCC1(C)C ZINC000457056390 539654792 /nfs/dbraw/zinc/65/47/92/539654792.db2.gz NRSTVAPDZKREAE-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCC[C@@H]4OCC[C@@H]43)CC[N@H+]2C1 ZINC000339069412 539659106 /nfs/dbraw/zinc/65/91/06/539659106.db2.gz VGWLBMGIJPWGFQ-SUJAAXHWSA-N 2 1 264.413 2.160 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000617339820 348680435 /nfs/dbraw/zinc/68/04/35/348680435.db2.gz NIXMCBUYBHBVQQ-OAHLLOKOSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[C@@H](N(C)CC[S@@](=O)c2ccccc2)CC[N@H+]1C ZINC000357743679 233135387 /nfs/dbraw/zinc/13/53/87/233135387.db2.gz MSTICHZLBGHBAD-QEEYODRMSA-N 2 1 294.464 2.209 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CC[S@@](=O)c2ccccc2)CCN1C ZINC000357743679 233135390 /nfs/dbraw/zinc/13/53/90/233135390.db2.gz MSTICHZLBGHBAD-QEEYODRMSA-N 2 1 294.464 2.209 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000357792998 233147040 /nfs/dbraw/zinc/14/70/40/233147040.db2.gz DUJDFWFWFGYLPB-BMFZPTHFSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000402386064 233188147 /nfs/dbraw/zinc/18/81/47/233188147.db2.gz QBPPFFRBJYPHBS-TUVASFSCSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC1(C)C ZINC000623373529 350002553 /nfs/dbraw/zinc/00/25/53/350002553.db2.gz BGMRJYXPVIYTMT-CWRNSKLLSA-N 2 1 274.408 2.107 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC1(C)C ZINC000623373529 350002554 /nfs/dbraw/zinc/00/25/54/350002554.db2.gz BGMRJYXPVIYTMT-CWRNSKLLSA-N 2 1 274.408 2.107 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000619509185 349190507 /nfs/dbraw/zinc/19/05/07/349190507.db2.gz YLXJMIIFLPIUMS-DOMZBBRYSA-N 2 1 276.380 2.046 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000619509185 349190510 /nfs/dbraw/zinc/19/05/10/349190510.db2.gz YLXJMIIFLPIUMS-DOMZBBRYSA-N 2 1 276.380 2.046 20 0 CEADMP OC[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411280414 233234329 /nfs/dbraw/zinc/23/43/29/233234329.db2.gz FESVFRGIJNHEHV-SFHVURJKSA-N 2 1 288.435 2.487 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCc2cncs2)CC[N@@H+]1C ZINC000411320016 233237414 /nfs/dbraw/zinc/23/74/14/233237414.db2.gz BJGDEQVBWSTWGF-NEPJUHHUSA-N 2 1 253.415 2.100 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCc2cncs2)CC[N@H+]1C ZINC000411320016 233237419 /nfs/dbraw/zinc/23/74/19/233237419.db2.gz BJGDEQVBWSTWGF-NEPJUHHUSA-N 2 1 253.415 2.100 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCc2cncs2)CC[NH+]1C ZINC000411320016 233237422 /nfs/dbraw/zinc/23/74/22/233237422.db2.gz BJGDEQVBWSTWGF-NEPJUHHUSA-N 2 1 253.415 2.100 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2cncs2)CC[NH+]1C ZINC000411320016 233237426 /nfs/dbraw/zinc/23/74/26/233237426.db2.gz BJGDEQVBWSTWGF-NEPJUHHUSA-N 2 1 253.415 2.100 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)C2CCCCC2)CC1(C)C ZINC000623398232 350009189 /nfs/dbraw/zinc/00/91/89/350009189.db2.gz ADZBVHAVYCHJEJ-CABCVRRESA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C)C(C)(C)C2)C[N@H+]1C1CC1 ZINC000623443257 350022161 /nfs/dbraw/zinc/02/21/61/350022161.db2.gz WVKWCFMERQRVEQ-HZSPNIEDSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C[NH+]1C1CC1 ZINC000623443257 350022165 /nfs/dbraw/zinc/02/21/65/350022165.db2.gz WVKWCFMERQRVEQ-HZSPNIEDSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000623449742 350024273 /nfs/dbraw/zinc/02/42/73/350024273.db2.gz JPUYMXMLWUPQIT-OCCSQVGLSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1(C)C ZINC000623471985 350027808 /nfs/dbraw/zinc/02/78/08/350027808.db2.gz AFMLECMJMHOHHC-BYNSBNAKSA-N 2 1 278.440 2.406 20 0 CEADMP CCC(CC)(CO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623471743 350028133 /nfs/dbraw/zinc/02/81/33/350028133.db2.gz PVDFTGMEEYGBQN-ZDUSSCGKSA-N 2 1 256.434 2.248 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CCO1 ZINC000623657630 350077378 /nfs/dbraw/zinc/07/73/78/350077378.db2.gz VRXIVHLSXOMMGE-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)CC1(C)C ZINC000623493557 350034046 /nfs/dbraw/zinc/03/40/46/350034046.db2.gz JFRPEPGAZOBZGV-SOUVJXGZSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)O ZINC000623506458 350037537 /nfs/dbraw/zinc/03/75/37/350037537.db2.gz UAUWVQGOOQATEI-STQMWFEESA-N 2 1 256.434 2.244 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H](CC(N)=O)c2ccccc2)CC1(C)C ZINC000623533827 350043514 /nfs/dbraw/zinc/04/35/14/350043514.db2.gz NULMZEXIDDZUHD-GJZGRUSLSA-N 2 1 289.423 2.066 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CC(N)=O)c2ccccc2)CC1(C)C ZINC000623533827 350043521 /nfs/dbraw/zinc/04/35/21/350043521.db2.gz NULMZEXIDDZUHD-GJZGRUSLSA-N 2 1 289.423 2.066 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)CC1(C)C ZINC000623539139 350044364 /nfs/dbraw/zinc/04/43/64/350044364.db2.gz BREPGGQMJMBJTD-HRCADAONSA-N 2 1 280.456 2.246 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCC2(O)CCC2)CC1(C)C ZINC000623552558 350048869 /nfs/dbraw/zinc/04/88/69/350048869.db2.gz KYGBVFUAFBGLDP-ZDUSSCGKSA-N 2 1 254.418 2.144 20 0 CEADMP COCC1(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623556793 350049819 /nfs/dbraw/zinc/04/98/19/350049819.db2.gz YQDVBAXHSFNBOD-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)[C@@]2(O)CCCOC2)CC1(C)C ZINC000623572501 350054055 /nfs/dbraw/zinc/05/40/55/350054055.db2.gz CAKCAEPZQSFIHH-RHSMWYFYSA-N 2 1 298.471 2.017 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCCO2)CC1 ZINC000623903064 350138662 /nfs/dbraw/zinc/13/86/62/350138662.db2.gz YIQTTZWONYFZPM-DOTOQJQBSA-N 2 1 298.471 2.423 20 0 CEADMP CC(C)[NH+]1CCC(NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624120460 350198460 /nfs/dbraw/zinc/19/84/60/350198460.db2.gz ZTUXAEKPMKSBRA-HNNXBMFYSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000624120460 350198463 /nfs/dbraw/zinc/19/84/63/350198463.db2.gz ZTUXAEKPMKSBRA-HNNXBMFYSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624120460 350198466 /nfs/dbraw/zinc/19/84/66/350198466.db2.gz ZTUXAEKPMKSBRA-HNNXBMFYSA-N 3 1 267.461 2.181 20 0 CEADMP c1ccc(C2CC([NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC000091666580 180222534 /nfs/dbraw/zinc/22/25/34/180222534.db2.gz APZHUIFXSJCUNT-HIEASXQVSA-N 2 1 286.419 2.385 20 0 CEADMP c1ccc(C2CC([NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC000091666580 180222535 /nfs/dbraw/zinc/22/25/35/180222535.db2.gz APZHUIFXSJCUNT-HIEASXQVSA-N 2 1 286.419 2.385 20 0 CEADMP COc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1O ZINC000091844081 180269580 /nfs/dbraw/zinc/26/95/80/180269580.db2.gz SDCYJIJTYCMPJX-UHFFFAOYSA-N 2 1 264.369 2.103 20 0 CEADMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000092253756 180353499 /nfs/dbraw/zinc/35/34/99/180353499.db2.gz KTCCYUVVBNLDQN-OAHLLOKOSA-N 2 1 292.423 2.477 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000092253756 180353500 /nfs/dbraw/zinc/35/35/00/180353500.db2.gz KTCCYUVVBNLDQN-OAHLLOKOSA-N 2 1 292.423 2.477 20 0 CEADMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000092253756 180353502 /nfs/dbraw/zinc/35/35/02/180353502.db2.gz KTCCYUVVBNLDQN-OAHLLOKOSA-N 2 1 292.423 2.477 20 0 CEADMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000092253756 180353505 /nfs/dbraw/zinc/35/35/05/180353505.db2.gz KTCCYUVVBNLDQN-OAHLLOKOSA-N 2 1 292.423 2.477 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CO)CC1 ZINC000339745958 215322973 /nfs/dbraw/zinc/32/29/73/215322973.db2.gz JZWDWLSAYQPXMZ-OAHLLOKOSA-N 2 1 265.401 2.066 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CO)CC1 ZINC000339745958 215322977 /nfs/dbraw/zinc/32/29/77/215322977.db2.gz JZWDWLSAYQPXMZ-OAHLLOKOSA-N 2 1 265.401 2.066 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000130619068 365974291 /nfs/dbraw/zinc/97/42/91/365974291.db2.gz SGVGZSRPXSZGSG-MAZHCROVSA-N 2 1 290.407 2.263 20 0 CEADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000626164011 350675749 /nfs/dbraw/zinc/67/57/49/350675749.db2.gz UYXUYDXTLUQUSG-ILNYKDOHSA-N 2 1 268.445 2.366 20 0 CEADMP C/C=C\C[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000626164011 350675752 /nfs/dbraw/zinc/67/57/52/350675752.db2.gz UYXUYDXTLUQUSG-ILNYKDOHSA-N 2 1 268.445 2.366 20 0 CEADMP C/C=C\C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000626164011 350675756 /nfs/dbraw/zinc/67/57/56/350675756.db2.gz UYXUYDXTLUQUSG-ILNYKDOHSA-N 2 1 268.445 2.366 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc3[nH]ccc3c1)CCO2 ZINC000628323011 351062901 /nfs/dbraw/zinc/06/29/01/351062901.db2.gz WJDOBJZEWYJNQB-UHFFFAOYSA-N 2 1 299.418 2.465 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000628747196 351179326 /nfs/dbraw/zinc/17/93/26/351179326.db2.gz AGRSXAGRVNVBRY-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)n1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000069989322 363018087 /nfs/dbraw/zinc/01/80/87/363018087.db2.gz CFFBOXAMRXUJQO-INIZCTEOSA-N 2 1 276.428 2.428 20 0 CEADMP COc1ccc(C)cc1[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629520319 351386186 /nfs/dbraw/zinc/38/61/86/351386186.db2.gz GETWOCQUQNUVJP-ZDUSSCGKSA-N 2 1 278.396 2.162 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(Cl)c1 ZINC000629523268 351389338 /nfs/dbraw/zinc/38/93/38/351389338.db2.gz DBYADLAEMGSJOD-NSHDSACASA-N 2 1 268.788 2.499 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000629529052 351393475 /nfs/dbraw/zinc/39/34/75/351393475.db2.gz QLGXEJNTPNBWGB-IYBDPMFKSA-N 2 1 267.376 2.194 20 0 CEADMP Cc1ccc2ncc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000629529052 351393477 /nfs/dbraw/zinc/39/34/77/351393477.db2.gz QLGXEJNTPNBWGB-IYBDPMFKSA-N 2 1 267.376 2.194 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cc3cc(F)ccc3o2)CCOCC1 ZINC000629387359 351345778 /nfs/dbraw/zinc/34/57/78/351345778.db2.gz FOMHDXHZRWYECH-UHFFFAOYSA-N 2 1 278.327 2.169 20 0 CEADMP CC(C)Cc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629387998 351345988 /nfs/dbraw/zinc/34/59/88/351345988.db2.gz PEXXMTWBOMAHCY-UHFFFAOYSA-N 2 1 276.424 2.483 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C12CCCC2 ZINC000629542559 351403676 /nfs/dbraw/zinc/40/36/76/351403676.db2.gz FVQUQSUKIMWVEW-ZQDZILKHSA-N 2 1 266.429 2.454 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629406886 351353255 /nfs/dbraw/zinc/35/32/55/351353255.db2.gz PSMDYDMLSCKUKJ-HEHGZKQESA-N 2 1 262.397 2.356 20 0 CEADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000629594629 351426533 /nfs/dbraw/zinc/42/65/33/351426533.db2.gz FWSHUXLLZWAMPF-SWVJOTTGSA-N 2 1 264.413 2.186 20 0 CEADMP Fc1ccc2c(c1)OCC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000629595481 351426651 /nfs/dbraw/zinc/42/66/51/351426651.db2.gz QANPJKWGXMOVKD-LBPRGKRZSA-N 2 1 264.344 2.020 20 0 CEADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000629594627 351426909 /nfs/dbraw/zinc/42/69/09/351426909.db2.gz FWSHUXLLZWAMPF-OKYAQOQYSA-N 2 1 264.413 2.186 20 0 CEADMP CC[N@H+](CC[NH3+])Cc1ccc(C)cc1-c1ccnn1C ZINC000629651122 351449846 /nfs/dbraw/zinc/44/98/46/351449846.db2.gz JWQHHLJMERHEQK-UHFFFAOYSA-N 2 1 272.396 2.176 20 0 CEADMP CC[N@@H+](CC[NH3+])Cc1ccc(C)cc1-c1ccnn1C ZINC000629651122 351449851 /nfs/dbraw/zinc/44/98/51/351449851.db2.gz JWQHHLJMERHEQK-UHFFFAOYSA-N 2 1 272.396 2.176 20 0 CEADMP COC1(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CCCC1 ZINC000629653001 351450730 /nfs/dbraw/zinc/45/07/30/351450730.db2.gz DNXHWXBUGKAAET-VXGBXAGGSA-N 2 1 294.361 2.405 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000629653662 351451457 /nfs/dbraw/zinc/45/14/57/351451457.db2.gz LXYWMSSKOKILBR-UHFFFAOYSA-N 2 1 292.423 2.068 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCSC2)CC[C@@H]1C(F)(F)F ZINC000629654659 351452376 /nfs/dbraw/zinc/45/23/76/351452376.db2.gz OYQNLYQKYNTNAN-MXWKQRLJSA-N 2 1 282.375 2.199 20 0 CEADMP CC(C)[C@@H](C[N@@H+](C)CCOCC[NH3+])c1ccccc1 ZINC000629666630 351457710 /nfs/dbraw/zinc/45/77/10/351457710.db2.gz URKPXYLPAGGNFB-MRXNPFEDSA-N 2 1 264.413 2.333 20 0 CEADMP Cc1cccnc1[C@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000629553382 351410954 /nfs/dbraw/zinc/41/09/54/351410954.db2.gz YMPAMINFHBOAID-SOUVJXGZSA-N 2 1 259.397 2.368 20 0 CEADMP Nc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629563785 351415809 /nfs/dbraw/zinc/41/58/09/351415809.db2.gz RCKLHSZJAOLFGW-AAEUAGOBSA-N 2 1 287.329 2.228 20 0 CEADMP Nc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629563785 351415813 /nfs/dbraw/zinc/41/58/13/351415813.db2.gz RCKLHSZJAOLFGW-AAEUAGOBSA-N 2 1 287.329 2.228 20 0 CEADMP O[C@@H](C[NH2+]CCc1cc2ccccc2o1)C[NH+]1CCCC1 ZINC000629563025 351415853 /nfs/dbraw/zinc/41/58/53/351415853.db2.gz DLECUQFMFBRFEF-HNNXBMFYSA-N 2 1 288.391 2.022 20 0 CEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629566008 351417332 /nfs/dbraw/zinc/41/73/32/351417332.db2.gz XMYFBUMPCPNPRF-CHWFTXMASA-N 2 1 250.308 2.102 20 0 CEADMP COCCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565318 351417690 /nfs/dbraw/zinc/41/76/90/351417690.db2.gz VXPMYUPONWDNBV-NWDGAFQWSA-N 2 1 282.350 2.262 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(SC)cc1 ZINC000629567572 351417786 /nfs/dbraw/zinc/41/77/86/351417786.db2.gz PLZCGZJRYMIFNN-UHFFFAOYSA-N 2 1 268.426 2.076 20 0 CEADMP COCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565317 351418022 /nfs/dbraw/zinc/41/80/22/351418022.db2.gz VXPMYUPONWDNBV-NEPJUHHUSA-N 2 1 282.350 2.262 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000629571955 351418519 /nfs/dbraw/zinc/41/85/19/351418519.db2.gz KSABOPPIYLJTHE-UHFFFAOYSA-N 2 1 286.803 2.016 20 0 CEADMP CCc1nc(C(C)C)ccc1C[N@@H+](C)CCOCC[NH3+] ZINC000629580995 351422054 /nfs/dbraw/zinc/42/20/54/351422054.db2.gz JJNNCBHEFLCNSJ-UHFFFAOYSA-N 2 1 279.428 2.175 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CC(C)(C)[NH3+])c1 ZINC000236653838 539817162 /nfs/dbraw/zinc/81/71/62/539817162.db2.gz DZKCDIPEGFMXKH-UHFFFAOYSA-N 2 1 291.439 2.270 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC000629951095 351549387 /nfs/dbraw/zinc/54/93/87/351549387.db2.gz OFFPUILRTWUHHR-AWEZNQCLSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)C[C@H](C)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000337135875 366035497 /nfs/dbraw/zinc/03/54/97/366035497.db2.gz CBZASMYFFHXBMQ-HNNXBMFYSA-N 2 1 270.461 2.447 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc2ccccc2n1 ZINC000131483806 366058693 /nfs/dbraw/zinc/05/86/93/366058693.db2.gz JRYKECMKOSRQEC-STQMWFEESA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H](CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C[NH+](C)C ZINC000291704841 198064442 /nfs/dbraw/zinc/06/44/42/198064442.db2.gz KPOCUNWUQOWAGU-JFIYKMOQSA-N 2 1 289.467 2.294 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C)C[NH+](C)C ZINC000291704841 198064444 /nfs/dbraw/zinc/06/44/44/198064444.db2.gz KPOCUNWUQOWAGU-JFIYKMOQSA-N 2 1 289.467 2.294 20 0 CEADMP COCc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000122022110 187010751 /nfs/dbraw/zinc/01/07/51/187010751.db2.gz POYSJPZVWHCYNU-BBRMVZONSA-N 2 1 262.397 2.405 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000122114129 187015927 /nfs/dbraw/zinc/01/59/27/187015927.db2.gz ADILIEAFXIYATH-QGZVFWFLSA-N 2 1 298.471 2.236 20 0 CEADMP C[N@@H+](Cc1cn(-c2cccc(C[NH3+])c2)nn1)C1CCCCC1 ZINC000630607045 351805557 /nfs/dbraw/zinc/80/55/57/351805557.db2.gz BCLJFHCHNDQTNW-UHFFFAOYSA-N 2 1 299.422 2.491 20 0 CEADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122594938 187039917 /nfs/dbraw/zinc/03/99/17/187039917.db2.gz WYASOXDQNANCLY-OAHLLOKOSA-N 2 1 293.430 2.456 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000122715237 187047717 /nfs/dbraw/zinc/04/77/17/187047717.db2.gz FIIVCWKBNPBCCJ-HOCLYGCPSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000122715237 187047718 /nfs/dbraw/zinc/04/77/18/187047718.db2.gz FIIVCWKBNPBCCJ-HOCLYGCPSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H](CNc1cc[nH+]cc1Br)C[NH+](C)C ZINC000291887433 198095521 /nfs/dbraw/zinc/09/55/21/198095521.db2.gz OVGGKFSWSMFBIZ-VIFPVBQESA-N 2 1 272.190 2.454 20 0 CEADMP COCCc1ncc(C[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000631045126 351936929 /nfs/dbraw/zinc/93/69/29/351936929.db2.gz CUOUKUPXEGIYKD-UHFFFAOYSA-N 2 1 294.424 2.017 20 0 CEADMP O=c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000631124571 351976015 /nfs/dbraw/zinc/97/60/15/351976015.db2.gz YMHNBASBEQRLTH-QGZVFWFLSA-N 2 1 297.402 2.399 20 0 CEADMP CC(C)n1ncnc1CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000631178935 352002079 /nfs/dbraw/zinc/00/20/79/352002079.db2.gz NLNMQWOQVGUUCB-HNNXBMFYSA-N 2 1 291.443 2.071 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccncc2C)[C@@H](C)C1 ZINC000271468997 191155797 /nfs/dbraw/zinc/15/57/97/191155797.db2.gz HCQLECBCZNYHJX-HOCLYGCPSA-N 2 1 261.413 2.252 20 0 CEADMP c1ccc(C[NH+]2CCC(N[C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000133543807 187691694 /nfs/dbraw/zinc/69/16/94/187691694.db2.gz VXCNHMUPIWNNQZ-KRWDZBQOSA-N 2 1 287.451 2.383 20 0 CEADMP Cc1noc(C2CCC([NH2+]CCn3cc[nH+]c3C)CC2)n1 ZINC000292377980 198264974 /nfs/dbraw/zinc/26/49/74/198264974.db2.gz ZOWRZZBUALQLIS-UHFFFAOYSA-N 2 1 289.383 2.199 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCOCC(F)(F)F)CC[C@H]1[NH3+] ZINC000251569057 539978484 /nfs/dbraw/zinc/97/84/84/539978484.db2.gz BUWYXOQBGWEDQP-GHMZBOCLSA-N 2 1 268.323 2.015 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccc(Cl)cc1 ZINC000131776225 366086901 /nfs/dbraw/zinc/08/69/01/366086901.db2.gz KQKAARVKNSXMHI-RYUDHWBXSA-N 2 1 268.788 2.388 20 0 CEADMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)CC(C)C ZINC000494882933 291002437 /nfs/dbraw/zinc/00/24/37/291002437.db2.gz MFJZZNJAMIZQAN-LSDHHAIUSA-N 2 1 297.487 2.390 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C12CCC2 ZINC000451483353 283004887 /nfs/dbraw/zinc/00/48/87/283004887.db2.gz VJSGVFQWOGLIEH-RBSFLKMASA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451485810 283005834 /nfs/dbraw/zinc/00/58/34/283005834.db2.gz BYLODNZPLRILCP-BARDWOONSA-N 2 1 264.413 2.018 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cn1 ZINC000569738348 299215747 /nfs/dbraw/zinc/21/57/47/299215747.db2.gz KTBDOMDCSMFBEH-CYBMUJFWSA-N 2 1 275.400 2.481 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000451600879 283047247 /nfs/dbraw/zinc/04/72/47/283047247.db2.gz SJFNHSQVDIAPLR-ZNMIVQPWSA-N 2 1 282.428 2.182 20 0 CEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000075022945 363435106 /nfs/dbraw/zinc/43/51/06/363435106.db2.gz UGQZPRBMMJPJJT-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCSC[C@@H]1C1CC1 ZINC000451654084 283065797 /nfs/dbraw/zinc/06/57/97/283065797.db2.gz NRLFUKDWYRHSCI-ZIAGYGMSSA-N 2 1 254.443 2.298 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451654084 283065798 /nfs/dbraw/zinc/06/57/98/283065798.db2.gz NRLFUKDWYRHSCI-ZIAGYGMSSA-N 2 1 254.443 2.298 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451654084 283065802 /nfs/dbraw/zinc/06/58/02/283065802.db2.gz NRLFUKDWYRHSCI-ZIAGYGMSSA-N 2 1 254.443 2.298 20 0 CEADMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(OC)c1 ZINC000271873106 191382344 /nfs/dbraw/zinc/38/23/44/191382344.db2.gz YJYWBYQPPGVLEO-UHFFFAOYSA-N 2 1 276.380 2.055 20 0 CEADMP CC(C)[N@H+](C)CC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000573489478 314161879 /nfs/dbraw/zinc/16/18/79/314161879.db2.gz FODLAQTULBCTGP-INIZCTEOSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000573489478 314161882 /nfs/dbraw/zinc/16/18/82/314161882.db2.gz FODLAQTULBCTGP-INIZCTEOSA-N 2 1 267.461 2.038 20 0 CEADMP CCC1(CC)CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000385905052 540242613 /nfs/dbraw/zinc/24/26/13/540242613.db2.gz GWBOBJVEEDDCTQ-AWEZNQCLSA-N 2 1 256.434 2.200 20 0 CEADMP CCC1(CC)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000385905052 540242615 /nfs/dbraw/zinc/24/26/15/540242615.db2.gz GWBOBJVEEDDCTQ-AWEZNQCLSA-N 2 1 256.434 2.200 20 0 CEADMP CCC1(CC)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000385905052 540242618 /nfs/dbraw/zinc/24/26/18/540242618.db2.gz GWBOBJVEEDDCTQ-AWEZNQCLSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H](C[NH2+]CCCNC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000496010515 291100440 /nfs/dbraw/zinc/10/04/40/291100440.db2.gz NVXDSEVZYCZGBQ-AWEZNQCLSA-N 2 1 299.459 2.365 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000353481052 283179616 /nfs/dbraw/zinc/17/96/16/283179616.db2.gz CTFAMLPRLIHBEZ-WLYUNCDWSA-N 2 1 284.444 2.428 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000353481052 283179618 /nfs/dbraw/zinc/17/96/18/283179618.db2.gz CTFAMLPRLIHBEZ-WLYUNCDWSA-N 2 1 284.444 2.428 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC[C@@H]1CCCCO1 ZINC000452093010 283184584 /nfs/dbraw/zinc/18/45/84/283184584.db2.gz FVXLYLNOTSKJAI-AWEZNQCLSA-N 2 1 254.418 2.410 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496132640 291110670 /nfs/dbraw/zinc/11/06/70/291110670.db2.gz FXZLFTZJHAZPHD-YPMHNXCESA-N 2 1 277.368 2.031 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452125094 283196137 /nfs/dbraw/zinc/19/61/37/283196137.db2.gz YGXROJVKRMRJLZ-KGLIPLIRSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452125094 283196138 /nfs/dbraw/zinc/19/61/38/283196138.db2.gz YGXROJVKRMRJLZ-KGLIPLIRSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000134517948 366332291 /nfs/dbraw/zinc/33/22/91/366332291.db2.gz NDIOPKXLPCSOEX-UHFFFAOYSA-N 2 1 260.385 2.384 20 0 CEADMP C[N@@H+](CCN1CC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000575736126 366354709 /nfs/dbraw/zinc/35/47/09/366354709.db2.gz DGIDOLNNIWUQFP-SFHVURJKSA-N 2 1 287.451 2.289 20 0 CEADMP C[C@H]1CCC[N@H+]1C1CCN(CC[NH+]2CCCCC2)CC1 ZINC000134752905 366357060 /nfs/dbraw/zinc/35/70/60/366357060.db2.gz XNZOPTDKEAKEAV-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@H]2CCOC2)cc1 ZINC000093839689 538789060 /nfs/dbraw/zinc/78/90/60/538789060.db2.gz JSJYQTZEZMRMJQ-MRXNPFEDSA-N 2 1 292.423 2.095 20 0 CEADMP C[C@H](CO)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000120809667 538867162 /nfs/dbraw/zinc/86/71/62/538867162.db2.gz RXNAZOGDPJWLSY-INIZCTEOSA-N 2 1 290.451 2.459 20 0 CEADMP C(CC1CC[NH2+]CC1)C[NH+]1CCN(C2CCCC2)CC1 ZINC000052063744 538872357 /nfs/dbraw/zinc/87/23/57/538872357.db2.gz JNYIZQOJIGTKOP-UHFFFAOYSA-N 2 1 279.472 2.326 20 0 CEADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000570580170 299266519 /nfs/dbraw/zinc/26/65/19/299266519.db2.gz OAWQIWLUCBLXCQ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000353515216 540316168 /nfs/dbraw/zinc/31/61/68/540316168.db2.gz HRXXVOLDBDZBBB-HOTGVXAUSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC000570580168 299266639 /nfs/dbraw/zinc/26/66/39/299266639.db2.gz OAWQIWLUCBLXCQ-GASCZTMLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000389780237 540363789 /nfs/dbraw/zinc/36/37/89/540363789.db2.gz YVVYZVPOXZAKQO-CVEARBPZSA-N 2 1 289.423 2.067 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(CO)Cc2ccccc2)CC[N@H+]1C ZINC000358044769 540371517 /nfs/dbraw/zinc/37/15/17/540371517.db2.gz GEYMGBRTKZXZRB-BPQIPLTHSA-N 2 1 290.451 2.300 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000414346479 236339814 /nfs/dbraw/zinc/33/98/14/236339814.db2.gz MEIPZDYBSKKOGR-BMFZPTHFSA-N 2 1 291.414 2.477 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000414346479 236339816 /nfs/dbraw/zinc/33/98/16/236339816.db2.gz MEIPZDYBSKKOGR-BMFZPTHFSA-N 2 1 291.414 2.477 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000338869906 283334590 /nfs/dbraw/zinc/33/45/90/283334590.db2.gz OEVFPNDITYWMKM-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CC[C@@H](CCO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000135191669 366406765 /nfs/dbraw/zinc/40/67/65/366406765.db2.gz YHWBMSKUTGVHNC-INIZCTEOSA-N 2 1 276.424 2.402 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000577862145 366409520 /nfs/dbraw/zinc/40/95/20/366409520.db2.gz YCLIPRQZHWNYLG-CVEARBPZSA-N 2 1 259.397 2.355 20 0 CEADMP C[C@H](CC[NH2+][C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000577865675 366410500 /nfs/dbraw/zinc/41/05/00/366410500.db2.gz JWSMQTGADZZIJO-ILXRZTDVSA-N 3 1 253.434 2.110 20 0 CEADMP CCn1nccc1CC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000338565398 366414772 /nfs/dbraw/zinc/41/47/72/366414772.db2.gz AHHYTSNHQMVPFB-ZBFHGGJFSA-N 2 1 278.444 2.108 20 0 CEADMP CCn1nccc1CC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000338565398 366414776 /nfs/dbraw/zinc/41/47/76/366414776.db2.gz AHHYTSNHQMVPFB-ZBFHGGJFSA-N 2 1 278.444 2.108 20 0 CEADMP CCn1nccc1CC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000338565398 366414786 /nfs/dbraw/zinc/41/47/86/366414786.db2.gz AHHYTSNHQMVPFB-ZBFHGGJFSA-N 2 1 278.444 2.108 20 0 CEADMP C[C@H]1CCC[C@@](C[NH2+]CC2(C)COC2)([NH+](C)C)C1 ZINC000079473952 363605928 /nfs/dbraw/zinc/60/59/28/363605928.db2.gz HMFALXIGRLEXRP-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3[nH]cnc3c2)C1 ZINC000577986477 366426034 /nfs/dbraw/zinc/42/60/34/366426034.db2.gz DLEFCHKWOUCWGM-PBHICJAKSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3[nH]cnc3c2)C1 ZINC000577986477 366426040 /nfs/dbraw/zinc/42/60/40/366426040.db2.gz DLEFCHKWOUCWGM-PBHICJAKSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3[nH]cnc3c2)C1 ZINC000577986477 366426045 /nfs/dbraw/zinc/42/60/45/366426045.db2.gz DLEFCHKWOUCWGM-PBHICJAKSA-N 2 1 284.407 2.479 20 0 CEADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3nc[nH]c3c2)C1 ZINC000577986477 366426051 /nfs/dbraw/zinc/42/60/51/366426051.db2.gz DLEFCHKWOUCWGM-PBHICJAKSA-N 2 1 284.407 2.479 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3nc[nH]c3c2)C1 ZINC000577986477 366426058 /nfs/dbraw/zinc/42/60/58/366426058.db2.gz DLEFCHKWOUCWGM-PBHICJAKSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3nc[nH]c3c2)C1 ZINC000577986477 366426061 /nfs/dbraw/zinc/42/60/61/366426061.db2.gz DLEFCHKWOUCWGM-PBHICJAKSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3nc[nH]c3c2)C1 ZINC000577986477 366426066 /nfs/dbraw/zinc/42/60/66/366426066.db2.gz DLEFCHKWOUCWGM-PBHICJAKSA-N 2 1 284.407 2.479 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3[nH]cnc3c2)C1 ZINC000577986479 366426280 /nfs/dbraw/zinc/42/62/80/366426280.db2.gz DLEFCHKWOUCWGM-WMLDXEAASA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3[nH]cnc3c2)C1 ZINC000577986479 366426286 /nfs/dbraw/zinc/42/62/86/366426286.db2.gz DLEFCHKWOUCWGM-WMLDXEAASA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3[nH]cnc3c2)C1 ZINC000577986479 366426290 /nfs/dbraw/zinc/42/62/90/366426290.db2.gz DLEFCHKWOUCWGM-WMLDXEAASA-N 2 1 284.407 2.479 20 0 CEADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3nc[nH]c3c2)C1 ZINC000577986479 366426294 /nfs/dbraw/zinc/42/62/94/366426294.db2.gz DLEFCHKWOUCWGM-WMLDXEAASA-N 2 1 284.407 2.479 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3nc[nH]c3c2)C1 ZINC000577986479 366426299 /nfs/dbraw/zinc/42/62/99/366426299.db2.gz DLEFCHKWOUCWGM-WMLDXEAASA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3nc[nH]c3c2)C1 ZINC000577986479 366426306 /nfs/dbraw/zinc/42/63/06/366426306.db2.gz DLEFCHKWOUCWGM-WMLDXEAASA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3nc[nH]c3c2)C1 ZINC000577986479 366426309 /nfs/dbraw/zinc/42/63/09/366426309.db2.gz DLEFCHKWOUCWGM-WMLDXEAASA-N 2 1 284.407 2.479 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000275787915 540422848 /nfs/dbraw/zinc/42/28/48/540422848.db2.gz QYKVLTZGKODBEO-JYJNAYRXSA-N 2 1 289.423 2.066 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(=O)[nH]n1 ZINC000353459081 299288853 /nfs/dbraw/zinc/28/88/53/299288853.db2.gz GLSIUKFVRKYYST-KGLIPLIRSA-N 2 1 292.427 2.345 20 0 CEADMP C[C@@H](CO)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723417 540492738 /nfs/dbraw/zinc/49/27/38/540492738.db2.gz XGQDFNKHQRNBMO-AEFFLSMTSA-N 2 1 288.435 2.213 20 0 CEADMP C[C@@H](CO)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671723417 540492740 /nfs/dbraw/zinc/49/27/40/540492740.db2.gz XGQDFNKHQRNBMO-AEFFLSMTSA-N 2 1 288.435 2.213 20 0 CEADMP C[C@@H](CO)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723417 540492741 /nfs/dbraw/zinc/49/27/41/540492741.db2.gz XGQDFNKHQRNBMO-AEFFLSMTSA-N 2 1 288.435 2.213 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000671739119 540497071 /nfs/dbraw/zinc/49/70/71/540497071.db2.gz NWRUFYWWWJRQFH-SNVBAGLBSA-N 2 1 263.341 2.136 20 0 CEADMP CN(C)c1nc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cs1 ZINC000671749674 540499280 /nfs/dbraw/zinc/49/92/80/540499280.db2.gz GJOIIEDHAGVEQJ-MGPQQGTHSA-N 2 1 294.468 2.172 20 0 CEADMP CN(C)c1nc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cs1 ZINC000671749674 540499283 /nfs/dbraw/zinc/49/92/83/540499283.db2.gz GJOIIEDHAGVEQJ-MGPQQGTHSA-N 2 1 294.468 2.172 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667868588 540525901 /nfs/dbraw/zinc/52/59/01/540525901.db2.gz AUGXMDWYYRHOCM-LVQVYYBASA-N 2 1 266.429 2.002 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CCCO1 ZINC000668064759 540562049 /nfs/dbraw/zinc/56/20/49/540562049.db2.gz WHRNSXFLBNTPJK-XUWVNRHRSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CCCO1 ZINC000668064759 540562053 /nfs/dbraw/zinc/56/20/53/540562053.db2.gz WHRNSXFLBNTPJK-XUWVNRHRSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551177405 540571307 /nfs/dbraw/zinc/57/13/07/540571307.db2.gz YZGNKHUBSAPZKE-JYJNAYRXSA-N 2 1 262.397 2.182 20 0 CEADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551177405 540571310 /nfs/dbraw/zinc/57/13/10/540571310.db2.gz YZGNKHUBSAPZKE-JYJNAYRXSA-N 2 1 262.397 2.182 20 0 CEADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000297354119 200160309 /nfs/dbraw/zinc/16/03/09/200160309.db2.gz BQRHVNQVQBHFOO-IAGOWNOFSA-N 2 1 276.424 2.128 20 0 CEADMP CC[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ncc[nH]1 ZINC000140465756 366559788 /nfs/dbraw/zinc/55/97/88/366559788.db2.gz OHMVFGCZYJBXHS-RNJOBUHISA-N 2 1 278.400 2.238 20 0 CEADMP CN(CCC[N@@H+](C)Cc1ccc(Cl)cn1)CC[NH+](C)C ZINC000579034664 366584879 /nfs/dbraw/zinc/58/48/79/366584879.db2.gz MYMAABAKVGHIGX-UHFFFAOYSA-N 2 1 298.862 2.050 20 0 CEADMP c1n[nH]cc1CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000297596565 200236933 /nfs/dbraw/zinc/23/69/33/200236933.db2.gz JQWPGLHTJJDRKY-UHFFFAOYSA-N 2 1 299.422 2.365 20 0 CEADMP c1ccc(NCCC[NH2+]C2CC[NH+](C3CC3)CC2)nc1 ZINC000297688724 200262317 /nfs/dbraw/zinc/26/23/17/200262317.db2.gz PRERKRMWBXBJIQ-UHFFFAOYSA-N 2 1 274.412 2.100 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000080997015 363695811 /nfs/dbraw/zinc/69/58/11/363695811.db2.gz VJMYYRZTNMTXAH-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C1CCCCC1 ZINC000579340395 366628702 /nfs/dbraw/zinc/62/87/02/366628702.db2.gz DWDZEBISCSYQGR-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP Fc1cccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339066027 366638074 /nfs/dbraw/zinc/63/80/74/366638074.db2.gz AKFUJAFHEIITQR-CABCVRRESA-N 2 1 278.371 2.421 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000151923602 366675872 /nfs/dbraw/zinc/67/58/72/366675872.db2.gz OUBSZAWLJSCHPT-HNNXBMFYSA-N 3 1 293.455 2.229 20 0 CEADMP COCC[NH+]1CCC(Nc2cc[nH+]cc2Cl)CC1 ZINC000176855181 189011859 /nfs/dbraw/zinc/01/18/59/189011859.db2.gz IKGMDADMYWTFHE-UHFFFAOYSA-N 2 1 269.776 2.258 20 0 CEADMP Cc1cnn(CC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000341903510 216146829 /nfs/dbraw/zinc/14/68/29/216146829.db2.gz PELMSZKHUCYZRZ-HZPDHXFCSA-N 2 1 290.455 2.434 20 0 CEADMP CC[NH+]1CCC(CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000571464843 299311630 /nfs/dbraw/zinc/31/16/30/299311630.db2.gz KXKPINPYWQWTTH-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP COC[C@@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000674498715 540757423 /nfs/dbraw/zinc/75/74/23/540757423.db2.gz KPDMAGVABLXPTI-INIZCTEOSA-N 2 1 271.364 2.483 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOC(C)(C)C)C1 ZINC000674909424 540796423 /nfs/dbraw/zinc/79/64/23/540796423.db2.gz OWKLKLXDURUEAS-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOC(C)(C)C)C1 ZINC000674909424 540796426 /nfs/dbraw/zinc/79/64/26/540796426.db2.gz OWKLKLXDURUEAS-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOC(C)(C)C)C1 ZINC000674909424 540796427 /nfs/dbraw/zinc/79/64/27/540796427.db2.gz OWKLKLXDURUEAS-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP CCc1noc(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342101462 216217039 /nfs/dbraw/zinc/21/70/39/216217039.db2.gz KVYQLBWDHWOLHG-YUTCNCBUSA-N 2 1 263.385 2.105 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000675497758 540847483 /nfs/dbraw/zinc/84/74/83/540847483.db2.gz HXXSNTVQNXJJKL-OAHLLOKOSA-N 2 1 276.428 2.464 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(OC(F)F)cc2)CCC1 ZINC000342147696 216237353 /nfs/dbraw/zinc/23/73/53/216237353.db2.gz ZCVSQJJPJANYIB-UHFFFAOYSA-N 2 1 256.296 2.259 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752435 540871261 /nfs/dbraw/zinc/87/12/61/540871261.db2.gz VCZADWPSSRMTLU-QPSCCSFWSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H](C[C@H]1CCOC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675883084 540878368 /nfs/dbraw/zinc/87/83/68/540878368.db2.gz WGWRRCYQCBBNCG-INMHGKMJSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@H](CCc1cccn1C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000675903341 540881093 /nfs/dbraw/zinc/88/10/93/540881093.db2.gz CGGPIYXLKDGKTA-KFWWJZLASA-N 2 1 263.429 2.419 20 0 CEADMP C[C@H](CCc1cccn1C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000675903341 540881095 /nfs/dbraw/zinc/88/10/95/540881095.db2.gz CGGPIYXLKDGKTA-KFWWJZLASA-N 2 1 263.429 2.419 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccccc1C ZINC000571653442 299321865 /nfs/dbraw/zinc/32/18/65/299321865.db2.gz IJRHRACPPLHONX-GJZGRUSLSA-N 2 1 264.413 2.300 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccccc1C ZINC000571653442 299321868 /nfs/dbraw/zinc/32/18/68/299321868.db2.gz IJRHRACPPLHONX-GJZGRUSLSA-N 2 1 264.413 2.300 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1ccccc1C ZINC000571653442 299321871 /nfs/dbraw/zinc/32/18/71/299321871.db2.gz IJRHRACPPLHONX-GJZGRUSLSA-N 2 1 264.413 2.300 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1C ZINC000571653442 299321875 /nfs/dbraw/zinc/32/18/75/299321875.db2.gz IJRHRACPPLHONX-GJZGRUSLSA-N 2 1 264.413 2.300 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000677599861 541027984 /nfs/dbraw/zinc/02/79/84/541027984.db2.gz ITYABMWZBLVXKL-MRXNPFEDSA-N 2 1 289.423 2.479 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000677599861 541027986 /nfs/dbraw/zinc/02/79/86/541027986.db2.gz ITYABMWZBLVXKL-MRXNPFEDSA-N 2 1 289.423 2.479 20 0 CEADMP C[NH+](C)[C@H](C(=O)NC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000152107953 366688801 /nfs/dbraw/zinc/68/88/01/366688801.db2.gz LSMDISADOGNOGK-IRXDYDNUSA-N 2 1 297.402 2.106 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCCSC2)s1 ZINC000342293106 216295112 /nfs/dbraw/zinc/29/51/12/216295112.db2.gz ORLTVKXZDRRWCI-NSHDSACASA-N 2 1 285.482 2.438 20 0 CEADMP CCCC[N@H+](CCCO)CCCn1cc[nH+]c1C ZINC000342290856 216295486 /nfs/dbraw/zinc/29/54/86/216295486.db2.gz HDGCVSMUQCNBEQ-UHFFFAOYSA-N 2 1 253.390 2.066 20 0 CEADMP CCCC[N@@H+](CCCO)CCCn1cc[nH+]c1C ZINC000342290856 216295488 /nfs/dbraw/zinc/29/54/88/216295488.db2.gz HDGCVSMUQCNBEQ-UHFFFAOYSA-N 2 1 253.390 2.066 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCC[NH3+])C1 ZINC000579831893 366710162 /nfs/dbraw/zinc/71/01/62/366710162.db2.gz BDSQCTSMCMOYJA-ZBFHGGJFSA-N 2 1 289.423 2.067 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000580254812 366770462 /nfs/dbraw/zinc/77/04/62/366770462.db2.gz GJKMSXCTZLQOKW-FPCVCCKLSA-N 2 1 297.487 2.484 20 0 CEADMP CCOC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154742062 366788322 /nfs/dbraw/zinc/78/83/22/366788322.db2.gz ZIYLMPMXUPXVSJ-MRXNPFEDSA-N 2 1 296.455 2.384 20 0 CEADMP CCOC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154742062 366788328 /nfs/dbraw/zinc/78/83/28/366788328.db2.gz ZIYLMPMXUPXVSJ-MRXNPFEDSA-N 2 1 296.455 2.384 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000154878453 366796450 /nfs/dbraw/zinc/79/64/50/366796450.db2.gz AOKFDZXQVDNPAS-CQSZACIVSA-N 2 1 284.444 2.033 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)C(F)(F)F)C1 ZINC000581721453 366814909 /nfs/dbraw/zinc/81/49/09/366814909.db2.gz WQZQNFBBAMGDQW-NEPJUHHUSA-N 2 1 282.350 2.011 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CCCOC[C@H]1C ZINC000678080424 541078505 /nfs/dbraw/zinc/07/85/05/541078505.db2.gz DTQVJCUOALUUEL-CYBMUJFWSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCOC[C@H]1C ZINC000678080424 541078506 /nfs/dbraw/zinc/07/85/06/541078506.db2.gz DTQVJCUOALUUEL-CYBMUJFWSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCOC[C@H]1C ZINC000678080424 541078507 /nfs/dbraw/zinc/07/85/07/541078507.db2.gz DTQVJCUOALUUEL-CYBMUJFWSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000678343027 541119173 /nfs/dbraw/zinc/11/91/73/541119173.db2.gz KQEJHFMSJWPCIV-HUUCEWRRSA-N 2 1 282.391 2.036 20 0 CEADMP COc1c(C)cc(C[N@@H+](C)C2CC[NH2+]CC2)cc1C ZINC000084627680 363817185 /nfs/dbraw/zinc/81/71/85/363817185.db2.gz WRXLIYCYSHHICO-UHFFFAOYSA-N 2 1 262.397 2.496 20 0 CEADMP C[C@@H](CCCCO)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000679330084 541256601 /nfs/dbraw/zinc/25/66/01/541256601.db2.gz XUAFCAQJGGZGGH-GJZGRUSLSA-N 2 1 256.434 2.392 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+]Cc2n[nH]c3ccccc32)CC1 ZINC000679484055 541279170 /nfs/dbraw/zinc/27/91/70/541279170.db2.gz CCJPVWIQXBEDKV-UHFFFAOYSA-N 2 1 272.396 2.384 20 0 CEADMP C[N@@H+](Cc1cccc(Br)c1)C1CC([NH3+])C1 ZINC000087653305 363866023 /nfs/dbraw/zinc/86/60/23/363866023.db2.gz LXYWKQLYZGUGKR-UHFFFAOYSA-N 2 1 269.186 2.371 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000088102727 363877633 /nfs/dbraw/zinc/87/76/33/363877633.db2.gz CZNHSJIBZSHKPS-OAHLLOKOSA-N 2 1 274.408 2.095 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000088782525 363923500 /nfs/dbraw/zinc/92/35/00/363923500.db2.gz CBBGYRWMSFTDHQ-LLVKDONJSA-N 2 1 253.777 2.296 20 0 CEADMP COc1cc2c(cc1OC)C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000089749049 363998230 /nfs/dbraw/zinc/99/82/30/363998230.db2.gz KOEYTSPFASTHLM-ZDUSSCGKSA-N 2 1 290.407 2.062 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000092561077 364081986 /nfs/dbraw/zinc/08/19/86/364081986.db2.gz LGHVWFFSACTZFK-CABCVRRESA-N 2 1 256.434 2.371 20 0 CEADMP CCC(CC)(CO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000090801120 364065799 /nfs/dbraw/zinc/06/57/99/364065799.db2.gz AUNNIHTYJVFWHK-MELADBBJSA-N 2 1 256.434 2.103 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3sccc3C)C2)CC1 ZINC000093132932 364143284 /nfs/dbraw/zinc/14/32/84/364143284.db2.gz JBHAEDPOPWZAIK-OAHLLOKOSA-N 2 1 293.480 2.268 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)n2c1 ZINC000334649627 364133782 /nfs/dbraw/zinc/13/37/82/364133782.db2.gz LTOJHWQAKPQRJY-KGLIPLIRSA-N 2 1 272.396 2.202 20 0 CEADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)n2c1 ZINC000334649627 364133785 /nfs/dbraw/zinc/13/37/85/364133785.db2.gz LTOJHWQAKPQRJY-KGLIPLIRSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@@](C)(C[NH2+]C1CC[NH+](CCOC(C)C)CC1)OC ZINC000638725260 370713424 /nfs/dbraw/zinc/71/34/24/370713424.db2.gz HGYCPCSQPGCBID-INIZCTEOSA-N 2 1 286.460 2.281 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCN1CCCCC1 ZINC000093516096 364195544 /nfs/dbraw/zinc/19/55/44/364195544.db2.gz DRQGUTWDIMOJJF-CVEARBPZSA-N 2 1 267.461 2.373 20 0 CEADMP CC1(C)CC([NH2+]Cc2cc(C(N)=O)cs2)CC(C)(C)[NH2+]1 ZINC000093685432 364215997 /nfs/dbraw/zinc/21/59/97/364215997.db2.gz MBIYHOACBHSYHB-UHFFFAOYSA-N 2 1 295.452 2.246 20 0 CEADMP Cc1cccc(OCC[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000093874348 364238630 /nfs/dbraw/zinc/23/86/30/364238630.db2.gz HPXBIGCPAOZGKU-UHFFFAOYSA-N 2 1 250.386 2.291 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000356596855 370768422 /nfs/dbraw/zinc/76/84/22/370768422.db2.gz MGRNJRAANSXTSO-KBPBESRZSA-N 2 1 285.476 2.390 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000094371269 364271899 /nfs/dbraw/zinc/27/18/99/364271899.db2.gz DWIIZLJNNTUSOH-LSDHHAIUSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OC)C1 ZINC000093770569 364225247 /nfs/dbraw/zinc/22/52/47/364225247.db2.gz PVEHIAKQCDRTKE-AWEZNQCLSA-N 2 1 262.397 2.469 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OC)C1 ZINC000093770569 364225249 /nfs/dbraw/zinc/22/52/49/364225249.db2.gz PVEHIAKQCDRTKE-AWEZNQCLSA-N 2 1 262.397 2.469 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OC)C1 ZINC000093770569 364225250 /nfs/dbraw/zinc/22/52/50/364225250.db2.gz PVEHIAKQCDRTKE-AWEZNQCLSA-N 2 1 262.397 2.469 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OC)C1 ZINC000093770569 364225252 /nfs/dbraw/zinc/22/52/52/364225252.db2.gz PVEHIAKQCDRTKE-AWEZNQCLSA-N 2 1 262.397 2.469 20 0 CEADMP c1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)on1 ZINC000334994699 364322929 /nfs/dbraw/zinc/32/29/29/364322929.db2.gz ZHTGJVBMFMAJRM-WFASDCNBSA-N 2 1 261.369 2.123 20 0 CEADMP Cc1c(Cl)c(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)nn1C ZINC000334996386 364326763 /nfs/dbraw/zinc/32/67/63/364326763.db2.gz XOYRKOXSJDMGMB-NSHDSACASA-N 2 1 293.802 2.485 20 0 CEADMP CC(C)[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(=O)N1CCCC1 ZINC000679998941 541351806 /nfs/dbraw/zinc/35/18/06/541351806.db2.gz UCTLTWIESWFBML-INIZCTEOSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1cc(C[N@H+](C)C2CC([NH3+])C2)cc2cccnc12 ZINC000334867445 364280002 /nfs/dbraw/zinc/28/00/02/364280002.db2.gz FRMYFIRLMMDPMH-UHFFFAOYSA-N 2 1 255.365 2.465 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@@H]3CCSC3)C2)CC1 ZINC000334952663 364295444 /nfs/dbraw/zinc/29/54/44/364295444.db2.gz FWCINGYVELVXBG-DZGCQCFKSA-N 2 1 268.470 2.403 20 0 CEADMP CC(C)n1cncc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000335082126 364450615 /nfs/dbraw/zinc/45/06/15/364450615.db2.gz CMENETMDYQKXDZ-UONOGXRCSA-N 2 1 281.425 2.170 20 0 CEADMP CC(C)n1cncc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000335082126 364450617 /nfs/dbraw/zinc/45/06/17/364450617.db2.gz CMENETMDYQKXDZ-UONOGXRCSA-N 2 1 281.425 2.170 20 0 CEADMP CCC[C@@H]1CN(c2cccc(C)n2)CC[N@H+]1CCOC ZINC000158300366 366855745 /nfs/dbraw/zinc/85/57/45/366855745.db2.gz QJADQUXJBLXNLX-OAHLLOKOSA-N 2 1 277.412 2.327 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CC(C)C)C1 ZINC000582011213 366849193 /nfs/dbraw/zinc/84/91/93/366849193.db2.gz UEGJNQANQVWQOW-CABCVRRESA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000582011213 366849197 /nfs/dbraw/zinc/84/91/97/366849197.db2.gz UEGJNQANQVWQOW-CABCVRRESA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000582011213 366849202 /nfs/dbraw/zinc/84/92/02/366849202.db2.gz UEGJNQANQVWQOW-CABCVRRESA-N 2 1 256.434 2.057 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000157807256 366849440 /nfs/dbraw/zinc/84/94/40/366849440.db2.gz ZLYCIHFMHAOXSV-HOCLYGCPSA-N 3 1 288.439 2.123 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1C ZINC000157807256 366849444 /nfs/dbraw/zinc/84/94/44/366849444.db2.gz ZLYCIHFMHAOXSV-HOCLYGCPSA-N 3 1 288.439 2.123 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)nc1 ZINC000335144697 364537139 /nfs/dbraw/zinc/53/71/39/364537139.db2.gz LZRKXWUKRTUZQM-ZDUSSCGKSA-N 2 1 256.353 2.113 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH2+]C(C)(C)C)c1ccccc1 ZINC000097594196 364510353 /nfs/dbraw/zinc/51/03/53/364510353.db2.gz DWOJBPQWLFEZIK-OAHLLOKOSA-N 2 1 291.439 2.184 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C)n1 ZINC000335193848 364605389 /nfs/dbraw/zinc/60/53/89/364605389.db2.gz QVLMWTPRAXNNRW-HZPDHXFCSA-N 2 1 259.397 2.415 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C)n1 ZINC000335193848 364605397 /nfs/dbraw/zinc/60/53/97/364605397.db2.gz QVLMWTPRAXNNRW-HZPDHXFCSA-N 2 1 259.397 2.415 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1F ZINC000104424517 364697349 /nfs/dbraw/zinc/69/73/49/364697349.db2.gz DVMYZNHPOVRSOJ-WCQYABFASA-N 2 1 266.360 2.394 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1F ZINC000104424517 364697358 /nfs/dbraw/zinc/69/73/58/364697358.db2.gz DVMYZNHPOVRSOJ-WCQYABFASA-N 2 1 266.360 2.394 20 0 CEADMP C[C@@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)CC[N@H+]1C ZINC000335384753 364697687 /nfs/dbraw/zinc/69/76/87/364697687.db2.gz ZNEJTCVRLSTBSY-QVOMUQBLSA-N 3 1 265.445 2.076 20 0 CEADMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000106460283 364705554 /nfs/dbraw/zinc/70/55/54/364705554.db2.gz PRTNEAMYNSMZPX-QKPAOTATSA-N 2 1 297.487 2.055 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335631974 212345602 /nfs/dbraw/zinc/34/56/02/212345602.db2.gz GCHDQIBINIUXBD-CHWSQXEVSA-N 2 1 265.426 2.273 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@@H]3CCN(C)[C@@H](C)C3)n2c1 ZINC000335716179 364876566 /nfs/dbraw/zinc/87/65/66/364876566.db2.gz DFHZRJMMMGZZSB-UONOGXRCSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)n21 ZINC000335758643 364940519 /nfs/dbraw/zinc/94/05/19/364940519.db2.gz JHWVDYIYKNUCEC-ZIAGYGMSSA-N 2 1 272.396 2.202 20 0 CEADMP Cc1cccc2ncc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)n21 ZINC000335758643 364940530 /nfs/dbraw/zinc/94/05/30/364940530.db2.gz JHWVDYIYKNUCEC-ZIAGYGMSSA-N 2 1 272.396 2.202 20 0 CEADMP C[C@@H]1CC[C@H](CN2CCC3(CCC[N@H+]3C)CC2)O1 ZINC000335866203 365089723 /nfs/dbraw/zinc/08/97/23/365089723.db2.gz SFCQZIDJIJABEM-ZIAGYGMSSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@@H]1CC[C@H](C[NH+]2CCC3(CCC[N@@H+]3C)CC2)O1 ZINC000335866203 365089734 /nfs/dbraw/zinc/08/97/34/365089734.db2.gz SFCQZIDJIJABEM-ZIAGYGMSSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@@H]1CC[C@H](C[NH+]2CCC3(CCC[N@H+]3C)CC2)O1 ZINC000335866203 365089739 /nfs/dbraw/zinc/08/97/39/365089739.db2.gz SFCQZIDJIJABEM-ZIAGYGMSSA-N 2 1 252.402 2.114 20 0 CEADMP Cc1ncsc1CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335918427 365161621 /nfs/dbraw/zinc/16/16/21/365161621.db2.gz OOOQZJFZYCPKIR-AWEZNQCLSA-N 2 1 265.426 2.022 20 0 CEADMP Cc1ncsc1CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335918427 365161628 /nfs/dbraw/zinc/16/16/28/365161628.db2.gz OOOQZJFZYCPKIR-AWEZNQCLSA-N 2 1 265.426 2.022 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335918427 365161633 /nfs/dbraw/zinc/16/16/33/365161633.db2.gz OOOQZJFZYCPKIR-AWEZNQCLSA-N 2 1 265.426 2.022 20 0 CEADMP Cc1ccc([C@H](C)[N@@H+](C)CCOCC[NH3+])c(C)c1 ZINC000357024662 370803640 /nfs/dbraw/zinc/80/36/40/370803640.db2.gz FYRQROFGMUHVME-AWEZNQCLSA-N 2 1 250.386 2.272 20 0 CEADMP C[C@@H](C(=O)NCC[NH+]1CCC[C@@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245201862 370806302 /nfs/dbraw/zinc/80/63/02/370806302.db2.gz NMPQWAYWIQXBTQ-WCVJEAGWSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000245201862 370806311 /nfs/dbraw/zinc/80/63/11/370806311.db2.gz NMPQWAYWIQXBTQ-WCVJEAGWSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000245201862 370806316 /nfs/dbraw/zinc/80/63/16/370806316.db2.gz NMPQWAYWIQXBTQ-WCVJEAGWSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000119395790 365267790 /nfs/dbraw/zinc/26/77/90/365267790.db2.gz YFBKDQHDDKYWFK-QGZVFWFLSA-N 2 1 287.407 2.421 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000119395790 365267794 /nfs/dbraw/zinc/26/77/94/365267794.db2.gz YFBKDQHDDKYWFK-QGZVFWFLSA-N 2 1 287.407 2.421 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000159068922 366874364 /nfs/dbraw/zinc/87/43/64/366874364.db2.gz LLWIJLGGWJYWAI-GDBMZVCRSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000159068922 366874373 /nfs/dbraw/zinc/87/43/73/366874373.db2.gz LLWIJLGGWJYWAI-GDBMZVCRSA-N 2 1 294.439 2.278 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1C ZINC000336106618 365415308 /nfs/dbraw/zinc/41/53/08/365415308.db2.gz VMGMLFGMXAETDS-LSDHHAIUSA-N 2 1 260.381 2.187 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1C ZINC000336106618 365415317 /nfs/dbraw/zinc/41/53/17/365415317.db2.gz VMGMLFGMXAETDS-LSDHHAIUSA-N 2 1 260.381 2.187 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@]1(C)CCCO1 ZINC000340480579 366902997 /nfs/dbraw/zinc/90/29/97/366902997.db2.gz SAOZOIQXTKWQGT-JKSUJKDBSA-N 2 1 296.455 2.179 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@](C)(c2ccccc2)C1 ZINC000582398726 366905213 /nfs/dbraw/zinc/90/52/13/366905213.db2.gz PCVBBZCMWCTKHD-MSOLQXFVSA-N 2 1 290.451 2.353 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000582398726 366905220 /nfs/dbraw/zinc/90/52/20/366905220.db2.gz PCVBBZCMWCTKHD-MSOLQXFVSA-N 2 1 290.451 2.353 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000582398726 366905222 /nfs/dbraw/zinc/90/52/22/366905222.db2.gz PCVBBZCMWCTKHD-MSOLQXFVSA-N 2 1 290.451 2.353 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000340534466 366925359 /nfs/dbraw/zinc/92/53/59/366925359.db2.gz KPHGDSXIWRXVNP-ZIAGYGMSSA-N 2 1 264.417 2.428 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000340534466 366925365 /nfs/dbraw/zinc/92/53/65/366925365.db2.gz KPHGDSXIWRXVNP-ZIAGYGMSSA-N 2 1 264.417 2.428 20 0 CEADMP Cc1nccn1CC[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680889493 541468947 /nfs/dbraw/zinc/46/89/47/541468947.db2.gz HRTNTHABBCQXMP-MRXNPFEDSA-N 2 1 270.380 2.151 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680889493 541468949 /nfs/dbraw/zinc/46/89/49/541468949.db2.gz HRTNTHABBCQXMP-MRXNPFEDSA-N 2 1 270.380 2.151 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680889493 541468954 /nfs/dbraw/zinc/46/89/54/541468954.db2.gz HRTNTHABBCQXMP-MRXNPFEDSA-N 2 1 270.380 2.151 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000680993983 541485100 /nfs/dbraw/zinc/48/51/00/541485100.db2.gz ROMSLVLYVKZOHI-RHSMWYFYSA-N 2 1 287.407 2.336 20 0 CEADMP CC(=O)N1CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c2ccccc21 ZINC000681090742 541503098 /nfs/dbraw/zinc/50/30/98/541503098.db2.gz QDNVXBNLMJMVLA-BBRMVZONSA-N 2 1 289.423 2.414 20 0 CEADMP CC(C)[C@H]1CC[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000572386910 299364106 /nfs/dbraw/zinc/36/41/06/299364106.db2.gz TUQOEVBJHIPICL-IAGOWNOFSA-N 2 1 281.488 2.284 20 0 CEADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000582912738 366976499 /nfs/dbraw/zinc/97/64/99/366976499.db2.gz GUQUFDFCOIDPCH-RBSFLKMASA-N 2 1 256.434 2.248 20 0 CEADMP COc1ccc(C[C@H](C)C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1F ZINC000340670751 366977469 /nfs/dbraw/zinc/97/74/69/366977469.db2.gz BVOCICBEHHRPAG-ZOWXZIJZSA-N 2 1 280.387 2.292 20 0 CEADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1F ZINC000340670751 366977475 /nfs/dbraw/zinc/97/74/75/366977475.db2.gz BVOCICBEHHRPAG-ZOWXZIJZSA-N 2 1 280.387 2.292 20 0 CEADMP C[C@@H](Cc1ccsc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000582943479 366979394 /nfs/dbraw/zinc/97/93/94/366979394.db2.gz SXBFJEGBEOKZFF-AWEZNQCLSA-N 2 1 295.496 2.295 20 0 CEADMP CC[N@H+]1CC[C@@H](NCCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000161769040 367111350 /nfs/dbraw/zinc/11/13/50/367111350.db2.gz HTCXUCGRFVLQFK-IAGOWNOFSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000161769040 367111357 /nfs/dbraw/zinc/11/13/57/367111357.db2.gz HTCXUCGRFVLQFK-IAGOWNOFSA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000161769040 367111362 /nfs/dbraw/zinc/11/13/62/367111362.db2.gz HTCXUCGRFVLQFK-IAGOWNOFSA-N 3 1 281.488 2.428 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)C[NH2+]CC2 ZINC000584058283 367136985 /nfs/dbraw/zinc/13/69/85/367136985.db2.gz PICDVGLFKBEBBE-QZTJIDSGSA-N 3 1 299.462 2.154 20 0 CEADMP C[C@@H]1CCC[N@H+]1C1CCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000162585942 367170655 /nfs/dbraw/zinc/17/06/55/367170655.db2.gz WDGLDKLPQUQEFS-CVEARBPZSA-N 2 1 279.472 2.419 20 0 CEADMP C[C@@H]1CCC[NH+]1C1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162585942 367170658 /nfs/dbraw/zinc/17/06/58/367170658.db2.gz WDGLDKLPQUQEFS-CVEARBPZSA-N 2 1 279.472 2.419 20 0 CEADMP C[C@@H]1CCC[NH+]1C1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000162585942 367170662 /nfs/dbraw/zinc/17/06/62/367170662.db2.gz WDGLDKLPQUQEFS-CVEARBPZSA-N 2 1 279.472 2.419 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000341045422 367147305 /nfs/dbraw/zinc/14/73/05/367147305.db2.gz LOBOCBYXBQSUBU-LLVKDONJSA-N 2 1 293.436 2.030 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@H](C)[NH2+]C(C)(C)CC)C[C@H]1C ZINC000357578960 370822988 /nfs/dbraw/zinc/82/29/88/370822988.db2.gz GFBILZGQQFYOMV-RDBSUJKOSA-N 2 1 283.460 2.094 20 0 CEADMP C[N@@H+]1CC[C@@H]2CC[NH+](CC3CCSCC3)[C@H]2C1 ZINC000638918401 370841273 /nfs/dbraw/zinc/84/12/73/370841273.db2.gz PLSAFBBHLDSSAV-KGLIPLIRSA-N 2 1 254.443 2.156 20 0 CEADMP C[N@H+]1CC[C@@H]2CC[NH+](CC3CCSCC3)[C@H]2C1 ZINC000638918401 370841277 /nfs/dbraw/zinc/84/12/77/370841277.db2.gz PLSAFBBHLDSSAV-KGLIPLIRSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2CC[N@H+](CC3CCSCC3)[C@H]2C1 ZINC000638918401 370841280 /nfs/dbraw/zinc/84/12/80/370841280.db2.gz PLSAFBBHLDSSAV-KGLIPLIRSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2CC[N@@H+](CC3CCSCC3)[C@H]2C1 ZINC000638918401 370841285 /nfs/dbraw/zinc/84/12/85/370841285.db2.gz PLSAFBBHLDSSAV-KGLIPLIRSA-N 2 1 254.443 2.156 20 0 CEADMP Cn1cncc1CCC[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000584478616 367163403 /nfs/dbraw/zinc/16/34/03/367163403.db2.gz XKFQTPLHLUGUBW-DLBZAZTESA-N 2 1 285.391 2.161 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000357791214 370829433 /nfs/dbraw/zinc/82/94/33/370829433.db2.gz LCPVWJYGOVQOKQ-WBVHZDCISA-N 2 1 295.471 2.289 20 0 CEADMP CC(C)CO[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245623082 370850195 /nfs/dbraw/zinc/85/01/95/370850195.db2.gz OIHVXKSSKUNBEF-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)CO[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245623082 370850197 /nfs/dbraw/zinc/85/01/97/370850197.db2.gz OIHVXKSSKUNBEF-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)CO[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245623082 370850200 /nfs/dbraw/zinc/85/02/00/370850200.db2.gz OIHVXKSSKUNBEF-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCCNc2ccccn2)CC[N@H+]1C ZINC000162835753 367194592 /nfs/dbraw/zinc/19/45/92/367194592.db2.gz UGWLPPCHAQEMCK-GJZGRUSLSA-N 2 1 276.428 2.346 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000341184718 367211869 /nfs/dbraw/zinc/21/18/69/367211869.db2.gz JWTLKKXWUUBSOY-CWRNSKLLSA-N 2 1 289.423 2.238 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)s1 ZINC000163477704 367244214 /nfs/dbraw/zinc/24/42/14/367244214.db2.gz PWXQTHUUOGJQQX-BXKDBHETSA-N 2 1 253.415 2.177 20 0 CEADMP Cc1nccn1CCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000164635815 367291612 /nfs/dbraw/zinc/29/16/12/367291612.db2.gz KTRYEUFYFVFJLC-OFQRWUPVSA-N 2 1 278.444 2.290 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000164635815 367291619 /nfs/dbraw/zinc/29/16/19/367291619.db2.gz KTRYEUFYFVFJLC-OFQRWUPVSA-N 3 1 278.444 2.290 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000164635815 367291624 /nfs/dbraw/zinc/29/16/24/367291624.db2.gz KTRYEUFYFVFJLC-OFQRWUPVSA-N 3 1 278.444 2.290 20 0 CEADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000170758713 367405937 /nfs/dbraw/zinc/40/59/37/367405937.db2.gz RFBGZZVLTCFKOZ-CQSZACIVSA-N 2 1 289.423 2.419 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000170758713 367405941 /nfs/dbraw/zinc/40/59/41/367405941.db2.gz RFBGZZVLTCFKOZ-CQSZACIVSA-N 2 1 289.423 2.419 20 0 CEADMP C[C@H](CCC(C)(C)C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000342699248 367489608 /nfs/dbraw/zinc/48/96/08/367489608.db2.gz NQTRPULGRBRCNK-HUUCEWRRSA-N 2 1 297.487 2.378 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCC2(C)C)CCCO1 ZINC000342574552 367429047 /nfs/dbraw/zinc/42/90/47/367429047.db2.gz IKEWFLMDXMBOMY-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC2(C)C)CCCO1 ZINC000342574552 367429049 /nfs/dbraw/zinc/42/90/49/367429049.db2.gz IKEWFLMDXMBOMY-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000631752973 367522756 /nfs/dbraw/zinc/52/27/56/367522756.db2.gz AMWVMSQRBBWAFG-RNWYCLNJSA-N 2 1 262.319 2.400 20 0 CEADMP COc1ccc(Cl)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631838974 367579276 /nfs/dbraw/zinc/57/92/76/367579276.db2.gz XVKRZESGXGPYKW-CMPLNLGQSA-N 2 1 268.788 2.375 20 0 CEADMP COc1ccc(Cl)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631838974 367579280 /nfs/dbraw/zinc/57/92/80/367579280.db2.gz XVKRZESGXGPYKW-CMPLNLGQSA-N 2 1 268.788 2.375 20 0 CEADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841722 367583944 /nfs/dbraw/zinc/58/39/44/367583944.db2.gz OUCMNYUWMJMYLD-MBNYWOFBSA-N 2 1 286.379 2.324 20 0 CEADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841722 367583950 /nfs/dbraw/zinc/58/39/50/367583950.db2.gz OUCMNYUWMJMYLD-MBNYWOFBSA-N 2 1 286.379 2.324 20 0 CEADMP CCn1nc(C)c(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)c1C ZINC000631836292 367574925 /nfs/dbraw/zinc/57/49/25/367574925.db2.gz SXEMNNSCVCGIKW-HNNXBMFYSA-N 2 1 278.444 2.341 20 0 CEADMP OCC[NH2+]C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000631863248 367598714 /nfs/dbraw/zinc/59/87/14/367598714.db2.gz YUDKXKVYJDSUBF-UHFFFAOYSA-N 2 1 274.408 2.110 20 0 CEADMP CC(C)c1cccc(C[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000631863212 367598779 /nfs/dbraw/zinc/59/87/79/367598779.db2.gz YEFYJBZOUNLLRC-UHFFFAOYSA-N 2 1 276.424 2.356 20 0 CEADMP c1ccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887343 367608526 /nfs/dbraw/zinc/60/85/26/367608526.db2.gz QMWPMNQVTVSBNF-GDBMZVCRSA-N 2 1 260.381 2.139 20 0 CEADMP c1cc(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc2c1OCC2 ZINC000631886624 367609556 /nfs/dbraw/zinc/60/95/56/367609556.db2.gz IKZWADUGOMZUQL-DLBZAZTESA-N 2 1 286.419 2.238 20 0 CEADMP FC1(F)CC[C@H](C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889157 367610322 /nfs/dbraw/zinc/61/03/22/367610322.db2.gz CMZSRHWSNMFQIW-AVGNSLFASA-N 2 1 258.356 2.496 20 0 CEADMP FC1(F)CC[C@H](C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889157 367610324 /nfs/dbraw/zinc/61/03/24/367610324.db2.gz CMZSRHWSNMFQIW-AVGNSLFASA-N 2 1 258.356 2.496 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)C1C[NH2+]C1 ZINC000335215990 299375909 /nfs/dbraw/zinc/37/59/09/299375909.db2.gz LHQLRUHUBRBDDF-IINYFYTJSA-N 2 1 264.344 2.237 20 0 CEADMP CCOC(=O)c1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000245745648 370869000 /nfs/dbraw/zinc/86/90/00/370869000.db2.gz MPUMPGRDEPMGTO-QWHCGFSZSA-N 2 1 294.395 2.371 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2nccs2)[C@H](C)C1 ZINC000358048835 370884811 /nfs/dbraw/zinc/88/48/11/370884811.db2.gz QSJWGZLESAOWNI-CHWSQXEVSA-N 2 1 267.442 2.396 20 0 CEADMP COc1ccc(OC)c(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358022349 370873205 /nfs/dbraw/zinc/87/32/05/370873205.db2.gz JFUNCWGQROLIKJ-CJNGLKHVSA-N 2 1 292.423 2.176 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000245966811 370894382 /nfs/dbraw/zinc/89/43/82/370894382.db2.gz NKLRSEJIEIRAOZ-KGLIPLIRSA-N 2 1 284.444 2.428 20 0 CEADMP CC(C)CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)(C)C ZINC000343517175 367857826 /nfs/dbraw/zinc/85/78/26/367857826.db2.gz WMBPSNKVDSOYNZ-ZIAGYGMSSA-N 2 1 258.450 2.349 20 0 CEADMP COc1ccsc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343612816 367916479 /nfs/dbraw/zinc/91/64/79/367916479.db2.gz JHXVFXNWXCZNEP-VXGBXAGGSA-N 2 1 266.410 2.473 20 0 CEADMP COc1ccsc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000343612816 367916486 /nfs/dbraw/zinc/91/64/86/367916486.db2.gz JHXVFXNWXCZNEP-VXGBXAGGSA-N 2 1 266.410 2.473 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000343643601 367935443 /nfs/dbraw/zinc/93/54/43/367935443.db2.gz QSGWPRIUCLGMFL-TWMKSMIVSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@H]1C[N@H+](C)C[C@@H]1NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000343632792 367929440 /nfs/dbraw/zinc/92/94/40/367929440.db2.gz CUSBDNZZZRLOGZ-UGUYLWEFSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@@H]1NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000343632792 367929446 /nfs/dbraw/zinc/92/94/46/367929446.db2.gz CUSBDNZZZRLOGZ-UGUYLWEFSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H]1CN(C)C[C@@H]1[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000343632792 367929451 /nfs/dbraw/zinc/92/94/51/367929451.db2.gz CUSBDNZZZRLOGZ-UGUYLWEFSA-N 2 1 267.461 2.037 20 0 CEADMP CCOC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000343571262 367891830 /nfs/dbraw/zinc/89/18/30/367891830.db2.gz IORTXGPJKFSHEF-KBPBESRZSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000343571262 367891833 /nfs/dbraw/zinc/89/18/33/367891833.db2.gz IORTXGPJKFSHEF-KBPBESRZSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000343571262 367891836 /nfs/dbraw/zinc/89/18/36/367891836.db2.gz IORTXGPJKFSHEF-KBPBESRZSA-N 2 1 270.417 2.134 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000343583931 367899082 /nfs/dbraw/zinc/89/90/82/367899082.db2.gz ZGXZTTREJPZCSG-UAGQMJEPSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+](C)C[C@@H]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000173907095 367957183 /nfs/dbraw/zinc/95/71/83/367957183.db2.gz RRTLRAFLYGPWRA-HNNXBMFYSA-N 2 1 291.439 2.481 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000173907095 367957189 /nfs/dbraw/zinc/95/71/89/367957189.db2.gz RRTLRAFLYGPWRA-HNNXBMFYSA-N 2 1 291.439 2.481 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCCC(C)(C)C2)CC[N@H+]1C ZINC000682143448 541636399 /nfs/dbraw/zinc/63/63/99/541636399.db2.gz IFYYRRFBPAGTMU-FMKPAKJESA-N 2 1 268.445 2.390 20 0 CEADMP CCOCC(C)(C)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000343948294 368086316 /nfs/dbraw/zinc/08/63/16/368086316.db2.gz XXVPFAYDKUKPLB-KGLIPLIRSA-N 2 1 256.434 2.369 20 0 CEADMP CC[N@@H+](CCN[C@H]1CC[NH+](CC)C[C@@H]1C)C(C)C ZINC000345160696 368176414 /nfs/dbraw/zinc/17/64/14/368176414.db2.gz PTVXJEFMMAQIDV-GJZGRUSLSA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+](CCN[C@H]1CC[N@H+](CC)C[C@@H]1C)C(C)C ZINC000345160696 368176421 /nfs/dbraw/zinc/17/64/21/368176421.db2.gz PTVXJEFMMAQIDV-GJZGRUSLSA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+](CCN[C@H]1CC[N@@H+](CC)C[C@@H]1C)C(C)C ZINC000345160696 368176425 /nfs/dbraw/zinc/17/64/25/368176425.db2.gz PTVXJEFMMAQIDV-GJZGRUSLSA-N 2 1 255.450 2.037 20 0 CEADMP c1ccc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000178956983 368316360 /nfs/dbraw/zinc/31/63/60/368316360.db2.gz DWERLKSDISBTMW-INIZCTEOSA-N 2 1 260.381 2.060 20 0 CEADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000345700350 368377477 /nfs/dbraw/zinc/37/74/77/368377477.db2.gz XETKAPGEDPPLBN-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@]1(C)CCCO ZINC000345971332 368502991 /nfs/dbraw/zinc/50/29/91/368502991.db2.gz ZOORVJPYSQLWMG-OAHLLOKOSA-N 2 1 265.401 2.209 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@]1(C)CCCO ZINC000345971332 368502997 /nfs/dbraw/zinc/50/29/97/368502997.db2.gz ZOORVJPYSQLWMG-OAHLLOKOSA-N 2 1 265.401 2.209 20 0 CEADMP CO[C@@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346169375 368572495 /nfs/dbraw/zinc/57/24/95/368572495.db2.gz JGEDTWSKLKBTCE-MRXNPFEDSA-N 2 1 286.379 2.187 20 0 CEADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cc[nH+]cc1Cl ZINC000572706888 299391263 /nfs/dbraw/zinc/39/12/63/299391263.db2.gz VRAITTRVNBVCOQ-HMKSTLMESA-N 2 1 251.761 2.085 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCSC1 ZINC000183492101 368629330 /nfs/dbraw/zinc/62/93/30/368629330.db2.gz MZAHNOYEEPGXAA-DGCLKSJQSA-N 2 1 253.415 2.313 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCC(C)(C)O3)CC[C@H]21 ZINC000184662998 368708963 /nfs/dbraw/zinc/70/89/63/368708963.db2.gz WZKDCUCGKRLUED-RBSFLKMASA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCC(C)(C)O3)CC[C@H]21 ZINC000184662998 368708967 /nfs/dbraw/zinc/70/89/67/368708967.db2.gz WZKDCUCGKRLUED-RBSFLKMASA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCC(C)(C)O3)CC[C@H]21 ZINC000184662998 368708974 /nfs/dbraw/zinc/70/89/74/368708974.db2.gz WZKDCUCGKRLUED-RBSFLKMASA-N 2 1 266.429 2.360 20 0 CEADMP CCCCCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000346621575 368739007 /nfs/dbraw/zinc/73/90/07/368739007.db2.gz MNPCWAYLLQUOJJ-MRXNPFEDSA-N 2 1 297.487 2.441 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(F)c1F ZINC000358137446 370919711 /nfs/dbraw/zinc/91/97/11/370919711.db2.gz GVZCAAKVDFFBBM-SMDDNHRTSA-N 2 1 268.351 2.437 20 0 CEADMP CC(C)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000358181170 370939416 /nfs/dbraw/zinc/93/94/16/370939416.db2.gz AXABGZDIZNZVOT-INIZCTEOSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](C)c1ccc(OC)cc1 ZINC000346683553 368768236 /nfs/dbraw/zinc/76/82/36/368768236.db2.gz PABYESGQMQTLBJ-ZFWWWQNUSA-N 2 1 262.397 2.483 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](C)c1ccc(OC)cc1 ZINC000346683553 368768243 /nfs/dbraw/zinc/76/82/43/368768243.db2.gz PABYESGQMQTLBJ-ZFWWWQNUSA-N 2 1 262.397 2.483 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000346642115 368746602 /nfs/dbraw/zinc/74/66/02/368746602.db2.gz BTDUOFPOUGPJFO-NEPJUHHUSA-N 2 1 290.436 2.318 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1-c1ccccc1 ZINC000346644377 368747754 /nfs/dbraw/zinc/74/77/54/368747754.db2.gz DHNLAEOEDNEJDX-ZIAGYGMSSA-N 2 1 284.407 2.256 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000346643526 368748437 /nfs/dbraw/zinc/74/84/37/368748437.db2.gz NCYALCAXAGKDAK-STQMWFEESA-N 2 1 276.380 2.017 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000346643526 368748440 /nfs/dbraw/zinc/74/84/40/368748440.db2.gz NCYALCAXAGKDAK-STQMWFEESA-N 2 1 276.380 2.017 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000346645529 368749365 /nfs/dbraw/zinc/74/93/65/368749365.db2.gz DTLUGCQNDDOORB-AWEZNQCLSA-N 2 1 266.433 2.443 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000346645529 368749368 /nfs/dbraw/zinc/74/93/68/368749368.db2.gz DTLUGCQNDDOORB-AWEZNQCLSA-N 2 1 266.433 2.443 20 0 CEADMP C[C@@H]1[C@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH+]4C)no2)CC[N@H+]1C ZINC000634676540 368808625 /nfs/dbraw/zinc/80/86/25/368808625.db2.gz FZYNBSFYYHGOOM-RKFYDKJMSA-N 2 1 290.411 2.217 20 0 CEADMP Cc1ccncc1CCC[N@H+]1CCSC[C@@H]1CCO ZINC000347919405 368823673 /nfs/dbraw/zinc/82/36/73/368823673.db2.gz NPEJNVWKNXHIES-HNNXBMFYSA-N 2 1 280.437 2.122 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cn3cccc(F)c3n2)C1 ZINC000634732319 368844459 /nfs/dbraw/zinc/84/44/59/368844459.db2.gz CUPJHIAQKDPHFT-GFCCVEGCSA-N 2 1 290.386 2.341 20 0 CEADMP O[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634718132 368838460 /nfs/dbraw/zinc/83/84/60/368838460.db2.gz XCBAXAFGPAQXOM-MHORFTMASA-N 2 1 286.419 2.012 20 0 CEADMP O[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634718132 368838464 /nfs/dbraw/zinc/83/84/64/368838464.db2.gz XCBAXAFGPAQXOM-MHORFTMASA-N 2 1 286.419 2.012 20 0 CEADMP CN(CC[N@@H+](C)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000346859516 368791741 /nfs/dbraw/zinc/79/17/41/368791741.db2.gz SKEDKUIIZHTHQB-OAHLLOKOSA-N 2 1 261.413 2.054 20 0 CEADMP CC[C@H]1CC[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648382 368795652 /nfs/dbraw/zinc/79/56/52/368795652.db2.gz PUIRUHWOIBOWHH-IRXDYDNUSA-N 2 1 274.408 2.108 20 0 CEADMP CC[C@H]1CC[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648382 368795658 /nfs/dbraw/zinc/79/56/58/368795658.db2.gz PUIRUHWOIBOWHH-IRXDYDNUSA-N 2 1 274.408 2.108 20 0 CEADMP CC[C@H]1CC[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634648382 368795662 /nfs/dbraw/zinc/79/56/62/368795662.db2.gz PUIRUHWOIBOWHH-IRXDYDNUSA-N 2 1 274.408 2.108 20 0 CEADMP CC[C@H]1CC[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634648382 368795667 /nfs/dbraw/zinc/79/56/67/368795667.db2.gz PUIRUHWOIBOWHH-IRXDYDNUSA-N 2 1 274.408 2.108 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000348015264 368859411 /nfs/dbraw/zinc/85/94/11/368859411.db2.gz TYKMVCBBCSQRMH-JKSUJKDBSA-N 2 1 270.461 2.495 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000634813336 368902651 /nfs/dbraw/zinc/90/26/51/368902651.db2.gz HOQBZIXJTDAQML-SNVBAGLBSA-N 2 1 259.357 2.148 20 0 CEADMP CC[C@@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000348125499 368910384 /nfs/dbraw/zinc/91/03/84/368910384.db2.gz PCJARWDRANFDDI-KFWWJZLASA-N 2 1 254.418 2.002 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc3occc3c2)CC1 ZINC000348263756 368974899 /nfs/dbraw/zinc/97/48/99/368974899.db2.gz VBXUSIGZDIVBEX-UHFFFAOYSA-N 2 1 288.391 2.369 20 0 CEADMP COCC(C)(C)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000348321194 369002325 /nfs/dbraw/zinc/00/23/25/369002325.db2.gz MJLZXPCLQVOOMN-UONOGXRCSA-N 2 1 256.434 2.369 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634987937 369018006 /nfs/dbraw/zinc/01/80/06/369018006.db2.gz IKTXHMVVGGVYMQ-OAHLLOKOSA-N 2 1 284.407 2.451 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991728 369019426 /nfs/dbraw/zinc/01/94/26/369019426.db2.gz PRNSUZXERNXARH-UONOGXRCSA-N 2 1 296.418 2.500 20 0 CEADMP CC(C)[C@@H](C[NH3+])C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000634993775 369022569 /nfs/dbraw/zinc/02/25/69/369022569.db2.gz GERUYFVDWWUDLC-INIZCTEOSA-N 3 1 263.429 2.068 20 0 CEADMP CC(C)[C@@H](C[NH3+])C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000634993775 369022571 /nfs/dbraw/zinc/02/25/71/369022571.db2.gz GERUYFVDWWUDLC-INIZCTEOSA-N 3 1 263.429 2.068 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999174 369033258 /nfs/dbraw/zinc/03/32/58/369033258.db2.gz QXMUMMZEGOYZGH-UKRRQHHQSA-N 2 1 284.407 2.207 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000635011502 369048650 /nfs/dbraw/zinc/04/86/50/369048650.db2.gz PVCGJJKXZWCCHN-SJORKVTESA-N 3 1 285.435 2.049 20 0 CEADMP c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000635011502 369048651 /nfs/dbraw/zinc/04/86/51/369048651.db2.gz PVCGJJKXZWCCHN-SJORKVTESA-N 2 1 285.435 2.049 20 0 CEADMP c1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000635011502 369048655 /nfs/dbraw/zinc/04/86/55/369048655.db2.gz PVCGJJKXZWCCHN-SJORKVTESA-N 2 1 285.435 2.049 20 0 CEADMP CC[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1nccn1C ZINC000635003549 369038894 /nfs/dbraw/zinc/03/88/94/369038894.db2.gz AJJKBCVJYVECAQ-CVEARBPZSA-N 2 1 286.423 2.421 20 0 CEADMP CO[C@]1(C)CCCN(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348415165 369040182 /nfs/dbraw/zinc/04/01/82/369040182.db2.gz XLYXDZRESSMWCU-CQSZACIVSA-N 2 1 283.441 2.206 20 0 CEADMP Fc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1F ZINC000635006041 369043129 /nfs/dbraw/zinc/04/31/29/369043129.db2.gz AMXRQLAIMBAGAB-NWANDNLSSA-N 2 1 296.361 2.212 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634961256 368994735 /nfs/dbraw/zinc/99/47/35/368994735.db2.gz PAAYNAHZIWNJPP-AWEZNQCLSA-N 2 1 270.380 2.061 20 0 CEADMP CC(C)[NH+](CCNC(=O)[C@H]1CC[N@H+]1C1CCCC1)C(C)C ZINC000635137306 369089083 /nfs/dbraw/zinc/08/90/83/369089083.db2.gz NENKPFLWILGNDK-MRXNPFEDSA-N 2 1 295.471 2.238 20 0 CEADMP CCN(Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C[C@H](C)O ZINC000348715442 369130217 /nfs/dbraw/zinc/13/02/17/369130217.db2.gz PTTMKWDPCPNMKN-LBPRGKRZSA-N 2 1 297.468 2.112 20 0 CEADMP CCN(Cc1nc2c(s1)CN(C(C)C)CC2)C[C@H](C)O ZINC000348715442 369130222 /nfs/dbraw/zinc/13/02/22/369130222.db2.gz PTTMKWDPCPNMKN-LBPRGKRZSA-N 2 1 297.468 2.112 20 0 CEADMP CCC[N@@H+](CCCn1ccnc1C)C1CC[NH2+]CC1 ZINC000348757461 369143957 /nfs/dbraw/zinc/14/39/57/369143957.db2.gz VQYROEDZNOMBJW-UHFFFAOYSA-N 2 1 264.417 2.046 20 0 CEADMP CCC[N@H+](CCCn1cc[nH+]c1C)C1CC[NH2+]CC1 ZINC000348757461 369143963 /nfs/dbraw/zinc/14/39/63/369143963.db2.gz VQYROEDZNOMBJW-UHFFFAOYSA-N 3 1 264.417 2.046 20 0 CEADMP CCC[N@@H+](CCCn1cc[nH+]c1C)C1CC[NH2+]CC1 ZINC000348757461 369143966 /nfs/dbraw/zinc/14/39/66/369143966.db2.gz VQYROEDZNOMBJW-UHFFFAOYSA-N 3 1 264.417 2.046 20 0 CEADMP Cc1nccn1CCC[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000348757915 369145342 /nfs/dbraw/zinc/14/53/42/369145342.db2.gz ZDXLMRNOKXAKKH-ROUUACIJSA-N 2 1 298.434 2.256 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000348757915 369145347 /nfs/dbraw/zinc/14/53/47/369145347.db2.gz ZDXLMRNOKXAKKH-ROUUACIJSA-N 3 1 298.434 2.256 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000348757915 369145351 /nfs/dbraw/zinc/14/53/51/369145351.db2.gz ZDXLMRNOKXAKKH-ROUUACIJSA-N 3 1 298.434 2.256 20 0 CEADMP COC[C@H](C)C[NH2+][C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000187713957 369208167 /nfs/dbraw/zinc/20/81/67/369208167.db2.gz CYUIIPXEVZZAGG-LXTVHRRPSA-N 2 1 256.434 2.225 20 0 CEADMP COC[C@H](C)C[NH2+][C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000187713957 369208171 /nfs/dbraw/zinc/20/81/71/369208171.db2.gz CYUIIPXEVZZAGG-LXTVHRRPSA-N 2 1 256.434 2.225 20 0 CEADMP C[C@@H](NC/C=C\C[NH2+][C@@H](C)c1ccon1)c1ccon1 ZINC000349198630 369264978 /nfs/dbraw/zinc/26/49/78/369264978.db2.gz LJKLPQSOHDWEOE-XVGAQQEPSA-N 2 1 276.340 2.220 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000683140880 541767309 /nfs/dbraw/zinc/76/73/09/541767309.db2.gz HEZWKALOPUFWLV-HNNXBMFYSA-N 2 1 264.417 2.252 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000683140880 541767314 /nfs/dbraw/zinc/76/73/14/541767314.db2.gz HEZWKALOPUFWLV-HNNXBMFYSA-N 2 1 264.417 2.252 20 0 CEADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349298327 369291768 /nfs/dbraw/zinc/29/17/68/369291768.db2.gz PAVRZPRMUMBKNH-IAGOWNOFSA-N 2 1 281.488 2.382 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](CC)CC[C@@H]1CCOC1 ZINC000349383869 369316024 /nfs/dbraw/zinc/31/60/24/369316024.db2.gz MRYCEVSGFZCSFZ-OAHLLOKOSA-N 2 1 256.434 2.467 20 0 CEADMP C[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+]1CCCCC1 ZINC000635796334 369348643 /nfs/dbraw/zinc/34/86/43/369348643.db2.gz YUDNEEDEZCZEQC-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP COC1CCC(CC[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000349717020 369377624 /nfs/dbraw/zinc/37/76/24/369377624.db2.gz BQCHHTAPZRYWMG-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCN2C2CCCC2)c2nccn21 ZINC000635995070 369448888 /nfs/dbraw/zinc/44/88/88/369448888.db2.gz LFJNMWDBHAOGCQ-XBFCOCLRSA-N 2 1 288.395 2.022 20 0 CEADMP OCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246430109 370960535 /nfs/dbraw/zinc/96/05/35/370960535.db2.gz COLJODAGWQMOFO-GDBMZVCRSA-N 2 1 266.429 2.098 20 0 CEADMP OCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246430109 370960544 /nfs/dbraw/zinc/96/05/44/370960544.db2.gz COLJODAGWQMOFO-GDBMZVCRSA-N 2 1 266.429 2.098 20 0 CEADMP CCC1(C)CCC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358228195 370961365 /nfs/dbraw/zinc/96/13/65/370961365.db2.gz FCGYOOZBABCXDL-NRXISQOPSA-N 2 1 254.418 2.002 20 0 CEADMP CCC1(C)CCC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358228195 370961368 /nfs/dbraw/zinc/96/13/68/370961368.db2.gz FCGYOOZBABCXDL-NRXISQOPSA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246596965 370982020 /nfs/dbraw/zinc/98/20/20/370982020.db2.gz ZVVJVNDFIYAGOT-BRWVUGGUSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246596965 370982031 /nfs/dbraw/zinc/98/20/31/370982031.db2.gz ZVVJVNDFIYAGOT-BRWVUGGUSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246596965 370982038 /nfs/dbraw/zinc/98/20/38/370982038.db2.gz ZVVJVNDFIYAGOT-BRWVUGGUSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246596965 370982044 /nfs/dbraw/zinc/98/20/44/370982044.db2.gz ZVVJVNDFIYAGOT-BRWVUGGUSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246596965 370982050 /nfs/dbraw/zinc/98/20/50/370982050.db2.gz ZVVJVNDFIYAGOT-BRWVUGGUSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246596965 370982059 /nfs/dbraw/zinc/98/20/59/370982059.db2.gz ZVVJVNDFIYAGOT-BRWVUGGUSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246596965 370982066 /nfs/dbraw/zinc/98/20/66/370982066.db2.gz ZVVJVNDFIYAGOT-BRWVUGGUSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246596975 370982900 /nfs/dbraw/zinc/98/29/00/370982900.db2.gz ZVVJVNDFIYAGOT-GVDBMIGSSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246596975 370982907 /nfs/dbraw/zinc/98/29/07/370982907.db2.gz ZVVJVNDFIYAGOT-GVDBMIGSSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246596975 370982911 /nfs/dbraw/zinc/98/29/11/370982911.db2.gz ZVVJVNDFIYAGOT-GVDBMIGSSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246596975 370982916 /nfs/dbraw/zinc/98/29/16/370982916.db2.gz ZVVJVNDFIYAGOT-GVDBMIGSSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246596975 370982920 /nfs/dbraw/zinc/98/29/20/370982920.db2.gz ZVVJVNDFIYAGOT-GVDBMIGSSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246596975 370982924 /nfs/dbraw/zinc/98/29/24/370982924.db2.gz ZVVJVNDFIYAGOT-GVDBMIGSSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246596975 370982930 /nfs/dbraw/zinc/98/29/30/370982930.db2.gz ZVVJVNDFIYAGOT-GVDBMIGSSA-N 3 1 281.488 2.427 20 0 CEADMP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1)CC(C)(C)C ZINC000636156012 369538205 /nfs/dbraw/zinc/53/82/05/369538205.db2.gz HHRBCHIDOIFELR-AWEZNQCLSA-N 2 1 297.487 2.201 20 0 CEADMP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)CC(C)(C)C ZINC000636156012 369538207 /nfs/dbraw/zinc/53/82/07/369538207.db2.gz HHRBCHIDOIFELR-AWEZNQCLSA-N 2 1 297.487 2.201 20 0 CEADMP C[NH+](CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)CC(C)(C)C ZINC000636156012 369538208 /nfs/dbraw/zinc/53/82/08/369538208.db2.gz HHRBCHIDOIFELR-AWEZNQCLSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)OC1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000189514422 369529120 /nfs/dbraw/zinc/52/91/20/369529120.db2.gz QXJDQDXYBXMGKH-UHFFFAOYSA-N 2 1 252.402 2.159 20 0 CEADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC000358264663 370981410 /nfs/dbraw/zinc/98/14/10/370981410.db2.gz YSVFXAOFQQZKFV-CABCVRRESA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC000358264663 370981414 /nfs/dbraw/zinc/98/14/14/370981414.db2.gz YSVFXAOFQQZKFV-CABCVRRESA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12)CC(C)(C)C ZINC000636142519 369530689 /nfs/dbraw/zinc/53/06/89/369530689.db2.gz MCRDWSILQQLHNU-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)CC(C)(C)C ZINC000636142519 369530692 /nfs/dbraw/zinc/53/06/92/369530692.db2.gz MCRDWSILQQLHNU-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)CC(C)(C)C ZINC000636142519 369530695 /nfs/dbraw/zinc/53/06/95/369530695.db2.gz MCRDWSILQQLHNU-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[C@H](NCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000276457574 193338886 /nfs/dbraw/zinc/33/88/86/193338886.db2.gz KUHRWWKPIRBMQX-NVXWUHKLSA-N 2 1 275.440 2.191 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000190787780 369652493 /nfs/dbraw/zinc/65/24/93/369652493.db2.gz XQUNXPIRMBSBBD-INIZCTEOSA-N 2 1 290.455 2.358 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000190787780 369652495 /nfs/dbraw/zinc/65/24/95/369652495.db2.gz XQUNXPIRMBSBBD-INIZCTEOSA-N 2 1 290.455 2.358 20 0 CEADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](CCO)CC1CC1 ZINC000352491980 369756097 /nfs/dbraw/zinc/75/60/97/369756097.db2.gz UIVOLUVVHNLYHV-UHFFFAOYSA-N 2 1 285.391 2.385 20 0 CEADMP CC[C@@H](NC[C@H]1CCC[N@@H+]1CCOC)c1ccc(F)cn1 ZINC000352683660 369835589 /nfs/dbraw/zinc/83/55/89/369835589.db2.gz LFXQYZNHYRCTBB-HUUCEWRRSA-N 2 1 295.402 2.372 20 0 CEADMP Cc1cc(C)n2c(C[N@@H+]3CCCC[C@@H]3CC[NH3+])cnc2n1 ZINC000352535031 369776289 /nfs/dbraw/zinc/77/62/89/369776289.db2.gz LOCYJNYRKVAYKD-CQSZACIVSA-N 2 1 287.411 2.049 20 0 CEADMP Cc1cc(C)n2c(C[N@H+]3CCCC[C@@H]3CC[NH3+])cnc2n1 ZINC000352535031 369776293 /nfs/dbraw/zinc/77/62/93/369776293.db2.gz LOCYJNYRKVAYKD-CQSZACIVSA-N 2 1 287.411 2.049 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352736137 369860054 /nfs/dbraw/zinc/86/00/54/369860054.db2.gz FODPHPOTIHMIGC-MNOVXSKESA-N 2 1 253.415 2.483 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352736135 369860913 /nfs/dbraw/zinc/86/09/13/369860913.db2.gz FODPHPOTIHMIGC-GHMZBOCLSA-N 2 1 253.415 2.483 20 0 CEADMP C[NH+](C)Cc1cnc(CN[C@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000352750388 369867793 /nfs/dbraw/zinc/86/77/93/369867793.db2.gz QNABIAUJPQWKNR-QWHCGFSZSA-N 2 1 296.484 2.167 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352800412 369882602 /nfs/dbraw/zinc/88/26/02/369882602.db2.gz ZQNQVHNJFAVWMO-HNNXBMFYSA-N 2 1 299.484 2.482 20 0 CEADMP CC[C@H](C)[N@H+](C)CCNCc1ncc(C[NH+](C)C)s1 ZINC000352814042 369890814 /nfs/dbraw/zinc/89/08/14/369890814.db2.gz KBMORBRENKDJBX-LBPRGKRZSA-N 2 1 284.473 2.025 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNCc1ncc(C[NH+](C)C)s1 ZINC000352814042 369890818 /nfs/dbraw/zinc/89/08/18/369890818.db2.gz KBMORBRENKDJBX-LBPRGKRZSA-N 2 1 284.473 2.025 20 0 CEADMP CCC[C@]1([NH2+]CCCn2cc[nH+]c2C)CCOC1 ZINC000352827092 369898806 /nfs/dbraw/zinc/89/88/06/369898806.db2.gz UKGZNSJIACJKSH-AWEZNQCLSA-N 2 1 251.374 2.130 20 0 CEADMP COC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000287295029 376199720 /nfs/dbraw/zinc/19/97/20/376199720.db2.gz DJTXUTHHXUEFCR-TZMCWYRMSA-N 2 1 291.395 2.437 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1CN[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000353139878 370036404 /nfs/dbraw/zinc/03/64/04/370036404.db2.gz OTLGHPIFUPKDSC-OFQRWUPVSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000353139878 370036406 /nfs/dbraw/zinc/03/64/06/370036406.db2.gz OTLGHPIFUPKDSC-OFQRWUPVSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000353139878 370036414 /nfs/dbraw/zinc/03/64/14/370036414.db2.gz OTLGHPIFUPKDSC-OFQRWUPVSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000353139878 370036415 /nfs/dbraw/zinc/03/64/15/370036415.db2.gz OTLGHPIFUPKDSC-OFQRWUPVSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+]1CCCC[C@H]1C ZINC000353498353 370114949 /nfs/dbraw/zinc/11/49/49/370114949.db2.gz ZMZYNJOFQMGJLP-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP COc1cc(C)nc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000214140662 370171564 /nfs/dbraw/zinc/17/15/64/370171564.db2.gz PVUJWNGRZCIXJT-AWEZNQCLSA-N 2 1 263.385 2.102 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000214140662 370171569 /nfs/dbraw/zinc/17/15/69/370171569.db2.gz PVUJWNGRZCIXJT-AWEZNQCLSA-N 2 1 263.385 2.102 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCCC[C@H]2CC[NH3+])c1 ZINC000214140662 370171574 /nfs/dbraw/zinc/17/15/74/370171574.db2.gz PVUJWNGRZCIXJT-AWEZNQCLSA-N 2 1 263.385 2.102 20 0 CEADMP CCc1cccc(F)c1C[NH2+]CCC[N@H+](C)CCOC ZINC000353929719 370141281 /nfs/dbraw/zinc/14/12/81/370141281.db2.gz FJDROQDGFQMNEP-UHFFFAOYSA-N 2 1 282.403 2.446 20 0 CEADMP CCc1cccc(F)c1C[NH2+]CCC[N@@H+](C)CCOC ZINC000353929719 370141283 /nfs/dbraw/zinc/14/12/83/370141283.db2.gz FJDROQDGFQMNEP-UHFFFAOYSA-N 2 1 282.403 2.446 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CC2)CC[N@H+]1C ZINC000353974840 370160375 /nfs/dbraw/zinc/16/03/75/370160375.db2.gz SQNJWFOVSOVGQQ-VHSXEESVSA-N 2 1 250.308 2.401 20 0 CEADMP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000638070426 370279340 /nfs/dbraw/zinc/27/93/40/370279340.db2.gz XGJNGMURWNVWIH-ILXRZTDVSA-N 2 1 283.460 2.129 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2cccc(CO)c2)CC1 ZINC000225132774 370285494 /nfs/dbraw/zinc/28/54/94/370285494.db2.gz FZFWCPJJFLAKIL-UHFFFAOYSA-N 2 1 262.397 2.141 20 0 CEADMP c1ccc(N2CC[C@H](C[N@@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)C2)cc1 ZINC000638089724 370290789 /nfs/dbraw/zinc/29/07/89/370290789.db2.gz RLKVYJMIPCLCMW-SOLBZPMBSA-N 2 1 285.435 2.197 20 0 CEADMP c1ccc(N2CC[C@H](C[N@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)C2)cc1 ZINC000638089724 370290791 /nfs/dbraw/zinc/29/07/91/370290791.db2.gz RLKVYJMIPCLCMW-SOLBZPMBSA-N 2 1 285.435 2.197 20 0 CEADMP CO[C@](C)(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000638112069 370308883 /nfs/dbraw/zinc/30/88/83/370308883.db2.gz JOGYAMGJSLYBQY-GOEBONIOSA-N 2 1 266.429 2.219 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000227074280 370357713 /nfs/dbraw/zinc/35/77/13/370357713.db2.gz AITPULRQOCBYIW-JSGCOSHPSA-N 2 1 278.396 2.181 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000227074280 370357715 /nfs/dbraw/zinc/35/77/15/370357715.db2.gz AITPULRQOCBYIW-JSGCOSHPSA-N 2 1 278.396 2.181 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)OC ZINC000638176056 370357847 /nfs/dbraw/zinc/35/78/47/370357847.db2.gz BTDBDKVPAXSQBS-VGWMRTNUSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)OC ZINC000638176056 370357849 /nfs/dbraw/zinc/35/78/49/370357849.db2.gz BTDBDKVPAXSQBS-VGWMRTNUSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)OC ZINC000638176056 370357853 /nfs/dbraw/zinc/35/78/53/370357853.db2.gz BTDBDKVPAXSQBS-VGWMRTNUSA-N 2 1 268.445 2.464 20 0 CEADMP C[N@H+]1CCC[C@H]2CN(Cc3ccns3)CC[C@@H]21 ZINC000638179204 370360128 /nfs/dbraw/zinc/36/01/28/370360128.db2.gz QGQKQBKRGMOXGE-AAEUAGOBSA-N 2 1 251.399 2.059 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000227140149 370362422 /nfs/dbraw/zinc/36/24/22/370362422.db2.gz KQIONJRKHNGWJG-KSZLIROESA-N 2 1 287.451 2.368 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)OC ZINC000638184653 370363653 /nfs/dbraw/zinc/36/36/53/370363653.db2.gz ZISVXJIWTVLRRA-UTSKFRMZSA-N 2 1 298.471 2.231 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC[C@@H]2CCO2)C1 ZINC000638133844 370326737 /nfs/dbraw/zinc/32/67/37/370326737.db2.gz KWABGEBGJMAHCX-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000638133844 370326744 /nfs/dbraw/zinc/32/67/44/370326744.db2.gz KWABGEBGJMAHCX-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC000638133844 370326747 /nfs/dbraw/zinc/32/67/47/370326747.db2.gz KWABGEBGJMAHCX-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP [NH3+]CC1(CC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000229415754 370424480 /nfs/dbraw/zinc/42/44/80/370424480.db2.gz BRTAMJYNYLQRRG-HUUCEWRRSA-N 2 1 293.455 2.029 20 0 CEADMP Cn1cc(CCC[NH2+]CC(C)(C)[NH+]2CCCCC2)cn1 ZINC000638291535 370427453 /nfs/dbraw/zinc/42/74/53/370427453.db2.gz QPMFVCKCNRYTFD-UHFFFAOYSA-N 2 1 278.444 2.207 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CCC[C@@H]1CCO1 ZINC000638301706 370433117 /nfs/dbraw/zinc/43/31/17/370433117.db2.gz DLNUQYMFRDXWOB-HUUCEWRRSA-N 2 1 254.418 2.410 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCSCC1 ZINC000354579772 370419355 /nfs/dbraw/zinc/41/93/55/370419355.db2.gz UNGAUTMGQYWDCU-GFCCVEGCSA-N 2 1 254.443 2.370 20 0 CEADMP COCC1(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)CCC1 ZINC000638334627 370452138 /nfs/dbraw/zinc/45/21/38/370452138.db2.gz CAIMFIJUFMIQOB-ZDUSSCGKSA-N 2 1 265.401 2.234 20 0 CEADMP CO[C@H](C[NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000638336496 370453374 /nfs/dbraw/zinc/45/33/74/370453374.db2.gz VDYPNKDZNAJCNI-GOSISDBHSA-N 2 1 288.435 2.449 20 0 CEADMP CO[C@H](C[NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000638336496 370453377 /nfs/dbraw/zinc/45/33/77/370453377.db2.gz VDYPNKDZNAJCNI-GOSISDBHSA-N 2 1 288.435 2.449 20 0 CEADMP CO[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)CC(C)C ZINC000638358807 370467893 /nfs/dbraw/zinc/46/78/93/370467893.db2.gz KLNCQSIQRKGJHM-HIFRSBDPSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H](O)CCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354711984 370475166 /nfs/dbraw/zinc/47/51/66/370475166.db2.gz QHHOAQFCHXIMAG-HNNXBMFYSA-N 2 1 291.439 2.391 20 0 CEADMP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000638367662 370476694 /nfs/dbraw/zinc/47/66/94/370476694.db2.gz GCDSBCAEBIOYJM-CVSAEHQPSA-N 2 1 252.402 2.018 20 0 CEADMP CCOC1CC(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000638367662 370476699 /nfs/dbraw/zinc/47/66/99/370476699.db2.gz GCDSBCAEBIOYJM-CVSAEHQPSA-N 2 1 252.402 2.018 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]CC2CCSCC2)C1 ZINC000638408459 370508556 /nfs/dbraw/zinc/50/85/56/370508556.db2.gz BDVSNHLPTMSLJA-CQSZACIVSA-N 2 1 256.459 2.451 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000638413335 370513028 /nfs/dbraw/zinc/51/30/28/370513028.db2.gz TVAUXXZCWYAVPI-WCVJEAGWSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000638413335 370513034 /nfs/dbraw/zinc/51/30/34/370513034.db2.gz TVAUXXZCWYAVPI-WCVJEAGWSA-N 2 1 295.471 2.144 20 0 CEADMP CO[C@@H](C[NH2+]CCCn1cc[nH+]c1C)CC(C)C ZINC000638386092 370490475 /nfs/dbraw/zinc/49/04/75/370490475.db2.gz KTHXYCWWYCLBTE-CQSZACIVSA-N 2 1 253.390 2.232 20 0 CEADMP Cc1cccc(N2CCC(CC[NH+]3CCOCC3)CC2)[nH+]1 ZINC000354898140 370497023 /nfs/dbraw/zinc/49/70/23/370497023.db2.gz UEJMFXIQXMFPBY-UHFFFAOYSA-N 2 1 289.423 2.329 20 0 CEADMP CCOC1CC(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000638450805 370539607 /nfs/dbraw/zinc/53/96/07/370539607.db2.gz IADVSWMEWOOOMZ-NFOMZHRRSA-N 2 1 254.418 2.123 20 0 CEADMP c1[nH]nc(-c2cccnc2)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000236586569 370593162 /nfs/dbraw/zinc/59/31/62/370593162.db2.gz XMFHKECARUMDRD-UHFFFAOYSA-N 2 1 299.422 2.437 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000638502371 370576108 /nfs/dbraw/zinc/57/61/08/370576108.db2.gz BGFRYNCZARNMJO-KGLIPLIRSA-N 2 1 279.428 2.341 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000638502371 370576112 /nfs/dbraw/zinc/57/61/12/370576112.db2.gz BGFRYNCZARNMJO-KGLIPLIRSA-N 2 1 279.428 2.341 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000356270935 370636557 /nfs/dbraw/zinc/63/65/57/370636557.db2.gz ALXKIHHFGVJEQW-KGLIPLIRSA-N 2 1 295.471 2.286 20 0 CEADMP CCC[C@H]([NH3+])C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236859517 370641046 /nfs/dbraw/zinc/64/10/46/370641046.db2.gz CKJJYXTULVIQIN-ZBFHGGJFSA-N 2 1 291.439 2.141 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)CC1CC(OCC)C1 ZINC000639175277 371048972 /nfs/dbraw/zinc/04/89/72/371048972.db2.gz KUSPJYMJJOSQBS-UHFFFAOYSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@](C)(OC)C1CC1 ZINC000639175534 371049394 /nfs/dbraw/zinc/04/93/94/371049394.db2.gz QLAFDNSHEOGEAI-OAHLLOKOSA-N 2 1 256.434 2.465 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccccc2)[C@@H](C)C1 ZINC000247030258 371051200 /nfs/dbraw/zinc/05/12/00/371051200.db2.gz MTXDBWJFMDQPON-SZMVWBNQSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cc2ccccc2)[C@@H](C)C1 ZINC000247030258 371051204 /nfs/dbraw/zinc/05/12/04/371051204.db2.gz MTXDBWJFMDQPON-SZMVWBNQSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2)[C@@H](C)C1 ZINC000247030258 371051209 /nfs/dbraw/zinc/05/12/09/371051209.db2.gz MTXDBWJFMDQPON-SZMVWBNQSA-N 2 1 290.451 2.252 20 0 CEADMP c1[nH]c2ncccc2c1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358348692 371028491 /nfs/dbraw/zinc/02/84/91/371028491.db2.gz VZRWCPOEKDIOPE-LSDHHAIUSA-N 2 1 284.407 2.322 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCOC1 ZINC000246924785 371032159 /nfs/dbraw/zinc/03/21/59/371032159.db2.gz GXGIXHGJNXLYKD-NPJQDHAYSA-N 2 1 268.445 2.367 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCOC1 ZINC000246924785 371032163 /nfs/dbraw/zinc/03/21/63/371032163.db2.gz GXGIXHGJNXLYKD-NPJQDHAYSA-N 2 1 268.445 2.367 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639167552 371041246 /nfs/dbraw/zinc/04/12/46/371041246.db2.gz HYYKHTDOPAGUCI-INIZCTEOSA-N 2 1 275.440 2.396 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000247002854 371045326 /nfs/dbraw/zinc/04/53/26/371045326.db2.gz KSDXZNKMYGWXNA-QLFBSQMISA-N 2 1 278.444 2.439 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000247002854 371045329 /nfs/dbraw/zinc/04/53/29/371045329.db2.gz KSDXZNKMYGWXNA-QLFBSQMISA-N 2 1 278.444 2.439 20 0 CEADMP COCC1(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)CCC1 ZINC000639179039 371057551 /nfs/dbraw/zinc/05/75/51/371057551.db2.gz RDHMUKTVMUBREL-KBPBESRZSA-N 2 1 254.418 2.075 20 0 CEADMP COCC1(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)CCC1 ZINC000639179039 371057556 /nfs/dbraw/zinc/05/75/56/371057556.db2.gz RDHMUKTVMUBREL-KBPBESRZSA-N 2 1 254.418 2.075 20 0 CEADMP COCC1(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)CCC1 ZINC000639179039 371057560 /nfs/dbraw/zinc/05/75/60/371057560.db2.gz RDHMUKTVMUBREL-KBPBESRZSA-N 2 1 254.418 2.075 20 0 CEADMP COCC1(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000639179039 371057566 /nfs/dbraw/zinc/05/75/66/371057566.db2.gz RDHMUKTVMUBREL-KBPBESRZSA-N 2 1 254.418 2.075 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccnn3CC3CCC3)C2)C1 ZINC000639204048 371090279 /nfs/dbraw/zinc/09/02/79/371090279.db2.gz OCTCHADRUNJLDU-QGZVFWFLSA-N 2 1 288.439 2.211 20 0 CEADMP CN(CC[C@H]1CCC[N@H+]1C)CC[C@H]1CCCC[NH+]1C ZINC000247316840 371092786 /nfs/dbraw/zinc/09/27/86/371092786.db2.gz RXCARGBCMFZTHP-HZPDHXFCSA-N 3 1 267.461 2.277 20 0 CEADMP CN(CC[C@H]1CCC[NH+]1C)CC[C@H]1CCCC[N@@H+]1C ZINC000247316840 371092788 /nfs/dbraw/zinc/09/27/88/371092788.db2.gz RXCARGBCMFZTHP-HZPDHXFCSA-N 2 1 267.461 2.277 20 0 CEADMP CN(CC[C@H]1CCC[NH+]1C)CC[C@H]1CCCC[N@H+]1C ZINC000247316840 371092794 /nfs/dbraw/zinc/09/27/94/371092794.db2.gz RXCARGBCMFZTHP-HZPDHXFCSA-N 2 1 267.461 2.277 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000247994740 371153853 /nfs/dbraw/zinc/15/38/53/371153853.db2.gz JUHTXSHUWDXENN-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000247994740 371153855 /nfs/dbraw/zinc/15/38/55/371153855.db2.gz JUHTXSHUWDXENN-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCSC)[C@@H](C)C1 ZINC000248186216 371168545 /nfs/dbraw/zinc/16/85/45/371168545.db2.gz XKAISUBTWFDJPP-GJZGRUSLSA-N 2 1 288.501 2.466 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]CC2CCSCC2)C1 ZINC000639346595 371259839 /nfs/dbraw/zinc/25/98/39/371259839.db2.gz HKCRLVGTCJCMBM-AWEZNQCLSA-N 2 1 256.459 2.451 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1O ZINC000248777841 371244714 /nfs/dbraw/zinc/24/47/14/371244714.db2.gz UZKDBCZOXMPCMK-KBPBESRZSA-N 2 1 276.380 2.117 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1O ZINC000248777841 371244719 /nfs/dbraw/zinc/24/47/19/371244719.db2.gz UZKDBCZOXMPCMK-KBPBESRZSA-N 2 1 276.380 2.117 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248819604 371250033 /nfs/dbraw/zinc/25/00/33/371250033.db2.gz WHTKVHVADONZHR-LJISPDSOSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248819604 371250038 /nfs/dbraw/zinc/25/00/38/371250038.db2.gz WHTKVHVADONZHR-LJISPDSOSA-N 2 1 266.429 2.264 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CCO)C1CCCCC1 ZINC000248855434 371257218 /nfs/dbraw/zinc/25/72/18/371257218.db2.gz CUHZRWTYIKQDQE-JKSUJKDBSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249104776 371294950 /nfs/dbraw/zinc/29/49/50/371294950.db2.gz PATLWRJZMUFQPX-USXIJHARSA-N 2 1 274.408 2.276 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CSC1 ZINC000639360332 371272755 /nfs/dbraw/zinc/27/27/55/371272755.db2.gz VLZJLPJRVQBXEJ-UKRRQHHQSA-N 2 1 276.449 2.460 20 0 CEADMP CC(C)C[C@@]1(CO)CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000248964814 371275473 /nfs/dbraw/zinc/27/54/73/371275473.db2.gz BNOLJTVQWUFQKD-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)C[C@@]1(CO)CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000248964814 371275479 /nfs/dbraw/zinc/27/54/79/371275479.db2.gz BNOLJTVQWUFQKD-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)C[C@@]1(CO)CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000248964814 371275485 /nfs/dbraw/zinc/27/54/85/371275485.db2.gz BNOLJTVQWUFQKD-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP O[C@]1(C[NH+]2C3CCC2CC3)CC[N@H+](Cc2ccccc2)C1 ZINC000639448665 371330438 /nfs/dbraw/zinc/33/04/38/371330438.db2.gz KCRSELDTXICYTK-DAWZGUTISA-N 2 1 286.419 2.250 20 0 CEADMP O[C@]1(C[NH+]2C3CCC2CC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000639448665 371330440 /nfs/dbraw/zinc/33/04/40/371330440.db2.gz KCRSELDTXICYTK-DAWZGUTISA-N 2 1 286.419 2.250 20 0 CEADMP CC(C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCC1 ZINC000251299361 371399669 /nfs/dbraw/zinc/39/96/69/371399669.db2.gz HQVHSHGKGJRNFY-ULQDDVLXSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000359299431 371417694 /nfs/dbraw/zinc/41/76/94/371417694.db2.gz GKGBKMDPPGQNQI-WCVJEAGWSA-N 2 1 284.444 2.033 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000639508249 371371440 /nfs/dbraw/zinc/37/14/40/371371440.db2.gz UTCVSYQQABTTHR-KKUMJFAQSA-N 2 1 254.418 2.075 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC2CC[NH2+]CC2)C1 ZINC000359212902 371378056 /nfs/dbraw/zinc/37/80/56/371378056.db2.gz NXBRUKZXEHUYFQ-KRWDZBQOSA-N 3 1 279.472 2.040 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359212902 371378059 /nfs/dbraw/zinc/37/80/59/371378059.db2.gz NXBRUKZXEHUYFQ-KRWDZBQOSA-N 3 1 279.472 2.040 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359212902 371378064 /nfs/dbraw/zinc/37/80/64/371378064.db2.gz NXBRUKZXEHUYFQ-KRWDZBQOSA-N 3 1 279.472 2.040 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000359333437 371432816 /nfs/dbraw/zinc/43/28/16/371432816.db2.gz QIRHHWPRFJQRME-HOTGVXAUSA-N 2 1 297.487 2.203 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252651677 371461741 /nfs/dbraw/zinc/46/17/41/371461741.db2.gz XDBPMMJXNYEEEU-CABCVRRESA-N 2 1 284.407 2.359 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252651677 371461747 /nfs/dbraw/zinc/46/17/47/371461747.db2.gz XDBPMMJXNYEEEU-CABCVRRESA-N 2 1 284.407 2.359 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1O ZINC000252674008 371466736 /nfs/dbraw/zinc/46/67/36/371466736.db2.gz NOLSRASIJDWHES-KGLIPLIRSA-N 2 1 276.380 2.117 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1O ZINC000252674008 371466739 /nfs/dbraw/zinc/46/67/39/371466739.db2.gz NOLSRASIJDWHES-KGLIPLIRSA-N 2 1 276.380 2.117 20 0 CEADMP Cc1nc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c2n1CCCC2 ZINC000360062331 371501417 /nfs/dbraw/zinc/50/14/17/371501417.db2.gz VKSJZBCUMLNKLR-UMVBOHGHSA-N 2 1 290.455 2.346 20 0 CEADMP COc1ccnc(CN2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c1 ZINC000639749460 371541401 /nfs/dbraw/zinc/54/14/01/371541401.db2.gz RHYQXROGEWMMMO-OAHLLOKOSA-N 2 1 277.412 2.252 20 0 CEADMP CCOC1CC(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC000639754488 371545174 /nfs/dbraw/zinc/54/51/74/371545174.db2.gz AVZDTDHIRXDTHZ-UHFFFAOYSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1cnc([C@@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)cn1 ZINC000639754683 371545328 /nfs/dbraw/zinc/54/53/28/371545328.db2.gz DHEHBBJPTXNCJG-CQSZACIVSA-N 2 1 274.412 2.264 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757599 371546719 /nfs/dbraw/zinc/54/67/19/371546719.db2.gz IZLVAHFGCCAHAS-UHFFFAOYSA-N 2 1 268.445 2.467 20 0 CEADMP CCc1nnc([C@@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC000639758998 371548473 /nfs/dbraw/zinc/54/84/73/371548473.db2.gz ZKCVADORENJUOX-GFCCVEGCSA-N 2 1 278.400 2.111 20 0 CEADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762759 371550114 /nfs/dbraw/zinc/55/01/14/371550114.db2.gz NMFLCAWJFYCGEU-GXTWGEPZSA-N 2 1 278.387 2.056 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000639764053 371551491 /nfs/dbraw/zinc/55/14/91/371551491.db2.gz SNBREPDEXYUSAA-MRXNPFEDSA-N 2 1 268.445 2.201 20 0 CEADMP CCc1cccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639762131 371551526 /nfs/dbraw/zinc/55/15/26/371551526.db2.gz GNZYSVBOJBLVNP-KRWDZBQOSA-N 2 1 276.424 2.138 20 0 CEADMP CCc1cccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639762131 371551530 /nfs/dbraw/zinc/55/15/30/371551530.db2.gz GNZYSVBOJBLVNP-KRWDZBQOSA-N 2 1 276.424 2.138 20 0 CEADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762762 371551720 /nfs/dbraw/zinc/55/17/20/371551720.db2.gz NMFLCAWJFYCGEU-JSGCOSHPSA-N 2 1 278.387 2.056 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684210 371493256 /nfs/dbraw/zinc/49/32/56/371493256.db2.gz GMTXWIGEJAOUFL-GJZGRUSLSA-N 2 1 275.396 2.019 20 0 CEADMP Fc1cccc(CCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257650326 371614667 /nfs/dbraw/zinc/61/46/67/371614667.db2.gz DCENBJMGCMVJNK-INIZCTEOSA-N 2 1 262.372 2.444 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000360954824 371561568 /nfs/dbraw/zinc/56/15/68/371561568.db2.gz HSVWFTKSXWAJTR-LSDHHAIUSA-N 2 1 297.487 2.391 20 0 CEADMP Cc1nc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000360985226 371580885 /nfs/dbraw/zinc/58/08/85/371580885.db2.gz GLRXUEZLAXVWAZ-LBPRGKRZSA-N 2 1 296.484 2.128 20 0 CEADMP Cc1nc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC000360985226 371580888 /nfs/dbraw/zinc/58/08/88/371580888.db2.gz GLRXUEZLAXVWAZ-LBPRGKRZSA-N 2 1 296.484 2.128 20 0 CEADMP c1cnn(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)c1 ZINC000261611860 371677056 /nfs/dbraw/zinc/67/70/56/371677056.db2.gz DZJDXDDHVBHKDR-RDJZCZTQSA-N 2 1 282.391 2.056 20 0 CEADMP CCOC(=O)[C@@H]1CCCCCN1CC[C@H]1CCC[N@H+]1C ZINC000259968535 371630272 /nfs/dbraw/zinc/63/02/72/371630272.db2.gz JUPHKJDICKMOHM-CABCVRRESA-N 2 1 282.428 2.278 20 0 CEADMP CCCCNC(=O)CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981935 371711213 /nfs/dbraw/zinc/71/12/13/371711213.db2.gz BYJUDRCIWZAJEP-UHFFFAOYSA-N 2 1 295.471 2.243 20 0 CEADMP COc1ccccc1COC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000261766562 371725886 /nfs/dbraw/zinc/72/58/86/371725886.db2.gz DJDKYTGDFWZZDQ-UHFFFAOYSA-N 2 1 292.423 2.414 20 0 CEADMP Nc1cccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000261770266 371726803 /nfs/dbraw/zinc/72/68/03/371726803.db2.gz ZCDKHNAAZKYSSO-UHFFFAOYSA-N 2 1 259.397 2.233 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261802680 371735275 /nfs/dbraw/zinc/73/52/75/371735275.db2.gz YXBSTRBRQQEWEO-HUUCEWRRSA-N 2 1 290.407 2.148 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261802680 371735288 /nfs/dbraw/zinc/73/52/88/371735288.db2.gz YXBSTRBRQQEWEO-HUUCEWRRSA-N 2 1 290.407 2.148 20 0 CEADMP CCCCNC(=O)CC[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640017382 371736367 /nfs/dbraw/zinc/73/63/67/371736367.db2.gz FYIMFEOEGKLPNR-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000640018234 371737607 /nfs/dbraw/zinc/73/76/07/371737607.db2.gz XVZKJXPYQOTTNB-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)N2CCC[C@@H]2C)CC1 ZINC000640018448 371737781 /nfs/dbraw/zinc/73/77/81/371737781.db2.gz WLZZFKFXYUXQBN-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000261658366 371694432 /nfs/dbraw/zinc/69/44/32/371694432.db2.gz FORNXKGEDSEBSV-OAHLLOKOSA-N 2 1 295.814 2.339 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000261658362 371694674 /nfs/dbraw/zinc/69/46/74/371694674.db2.gz FORNXKGEDSEBSV-HNNXBMFYSA-N 2 1 295.814 2.339 20 0 CEADMP CC[C@]1(O)CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000640031487 371754289 /nfs/dbraw/zinc/75/42/89/371754289.db2.gz TZRNNUWEMHOUIO-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP CN(CC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000261889473 371762580 /nfs/dbraw/zinc/76/25/80/371762580.db2.gz SPTHGKCGTUALJI-INIZCTEOSA-N 2 1 261.413 2.054 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261915765 371768635 /nfs/dbraw/zinc/76/86/35/371768635.db2.gz JWWZMQJUMLRKHW-KRWDZBQOSA-N 2 1 299.422 2.055 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261915765 371768643 /nfs/dbraw/zinc/76/86/43/371768643.db2.gz JWWZMQJUMLRKHW-KRWDZBQOSA-N 2 1 299.422 2.055 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CCC(C)C)C1 ZINC000361300385 371768786 /nfs/dbraw/zinc/76/87/86/371768786.db2.gz KXIYSZGUGJBZOJ-HZPDHXFCSA-N 2 1 270.461 2.447 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CCC(C)C)C1 ZINC000361300385 371768790 /nfs/dbraw/zinc/76/87/90/371768790.db2.gz KXIYSZGUGJBZOJ-HZPDHXFCSA-N 2 1 270.461 2.447 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CCC(C)C)C1 ZINC000361300385 371768792 /nfs/dbraw/zinc/76/87/92/371768792.db2.gz KXIYSZGUGJBZOJ-HZPDHXFCSA-N 2 1 270.461 2.447 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000261920089 371771167 /nfs/dbraw/zinc/77/11/67/371771167.db2.gz BNUBVNZGXDXSCR-QGZVFWFLSA-N 2 1 290.407 2.279 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000261920089 371771168 /nfs/dbraw/zinc/77/11/68/371771168.db2.gz BNUBVNZGXDXSCR-QGZVFWFLSA-N 2 1 290.407 2.279 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000261939444 371778944 /nfs/dbraw/zinc/77/89/44/371778944.db2.gz MLYLXYBBQNPMJX-CHWSQXEVSA-N 2 1 250.361 2.471 20 0 CEADMP c1ccc2cc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)ccc2c1 ZINC000261988951 371790536 /nfs/dbraw/zinc/79/05/36/371790536.db2.gz BDWXNKONAOEJSP-IBGZPJMESA-N 2 1 295.430 2.319 20 0 CEADMP C[C@@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000361350039 371801185 /nfs/dbraw/zinc/80/11/85/371801185.db2.gz BEGRWMVXLOKARU-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](CN[C@@H]1CC[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000361350039 371801198 /nfs/dbraw/zinc/80/11/98/371801198.db2.gz BEGRWMVXLOKARU-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](CN[C@@H]1CC[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000361350039 371801212 /nfs/dbraw/zinc/80/12/12/371801212.db2.gz BEGRWMVXLOKARU-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000361350039 371801223 /nfs/dbraw/zinc/80/12/23/371801223.db2.gz BEGRWMVXLOKARU-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000361350039 371801234 /nfs/dbraw/zinc/80/12/34/371801234.db2.gz BEGRWMVXLOKARU-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP COc1ccccc1[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262071297 371817839 /nfs/dbraw/zinc/81/78/39/371817839.db2.gz SDNUHMLXHUMCPL-WMLDXEAASA-N 2 1 274.408 2.484 20 0 CEADMP c1cn(-c2csc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)c2)cn1 ZINC000262128807 371827609 /nfs/dbraw/zinc/82/76/09/371827609.db2.gz XZGUFDRXBBGFSJ-HNNXBMFYSA-N 2 1 288.420 2.119 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCOC2)[C@@H](C)C1 ZINC000361398328 371828910 /nfs/dbraw/zinc/82/89/10/371828910.db2.gz SIHGGINULSKTQU-YESZJQIVSA-N 2 1 298.471 2.140 20 0 CEADMP CCOc1cccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c1 ZINC000361462796 371856714 /nfs/dbraw/zinc/85/67/14/371856714.db2.gz JEJHNLWMXNNTIA-UHFFFAOYSA-N 2 1 292.423 2.022 20 0 CEADMP CCc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1 ZINC000361464436 371859677 /nfs/dbraw/zinc/85/96/77/371859677.db2.gz QDJQUSKXYPNHIP-UHFFFAOYSA-N 2 1 276.424 2.185 20 0 CEADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361501637 371883427 /nfs/dbraw/zinc/88/34/27/371883427.db2.gz SFEGLATZWFFIJU-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCN(c2cccc(F)c2)CC1 ZINC000640136687 371836246 /nfs/dbraw/zinc/83/62/46/371836246.db2.gz YKFFSQRABJIRDC-INIZCTEOSA-N 2 1 291.414 2.432 20 0 CEADMP CC[N@@H+](CCNC(=O)CC1(C[NH3+])CCCCC1)C(C)C ZINC000361624495 371983370 /nfs/dbraw/zinc/98/33/70/371983370.db2.gz ZFVNIEORAJRWNZ-UHFFFAOYSA-N 2 1 283.460 2.132 20 0 CEADMP Cn1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640532585 372020970 /nfs/dbraw/zinc/02/09/70/372020970.db2.gz GSCYLFDQOQXRRI-UHFFFAOYSA-N 2 1 264.417 2.118 20 0 CEADMP Cn1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640532585 372020984 /nfs/dbraw/zinc/02/09/84/372020984.db2.gz GSCYLFDQOQXRRI-UHFFFAOYSA-N 2 1 264.417 2.118 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCn1ccnc1 ZINC000640534023 372023862 /nfs/dbraw/zinc/02/38/62/372023862.db2.gz ZTWRMEYTNXTCFH-UHFFFAOYSA-N 2 1 264.417 2.081 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000344158725 217080136 /nfs/dbraw/zinc/08/01/36/217080136.db2.gz CMGMQJNJANWSCZ-RRFJBIMHSA-N 2 1 275.396 2.129 20 0 CEADMP CC[N@@H+]1C[C@H](NC[C@H]2CCC[NH+](C(C)C)C2)[C@@H](C)C1 ZINC000344186253 217090748 /nfs/dbraw/zinc/09/07/48/217090748.db2.gz DLUFGURZGHXYRT-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](NC[C@H]2CCC[N@@H+](C(C)C)C2)[C@@H](C)C1 ZINC000344186253 217090751 /nfs/dbraw/zinc/09/07/51/217090751.db2.gz DLUFGURZGHXYRT-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](NC[C@H]2CCC[N@H+](C(C)C)C2)[C@@H](C)C1 ZINC000344186253 217090753 /nfs/dbraw/zinc/09/07/53/217090753.db2.gz DLUFGURZGHXYRT-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP CCN1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)[C@@H](C)C1 ZINC000344186253 217090755 /nfs/dbraw/zinc/09/07/55/217090755.db2.gz DLUFGURZGHXYRT-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP CCN1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)[C@@H](C)C1 ZINC000344186253 217090758 /nfs/dbraw/zinc/09/07/58/217090758.db2.gz DLUFGURZGHXYRT-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000361966828 372148564 /nfs/dbraw/zinc/14/85/64/372148564.db2.gz OXQKDXFPYCVOAZ-XHDPSFHLSA-N 2 1 268.351 2.437 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000268782793 372219922 /nfs/dbraw/zinc/21/99/22/372219922.db2.gz CPSBTEFITSHISM-MPBGBICISA-N 2 1 291.420 2.280 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(F)cc2)CC[N@H+]1C ZINC000268783726 372220404 /nfs/dbraw/zinc/22/04/04/372220404.db2.gz BNCGFULUNLSPQL-TZMCWYRMSA-N 2 1 266.360 2.277 20 0 CEADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000344300035 217139795 /nfs/dbraw/zinc/13/97/95/217139795.db2.gz YLMMDBPEOPTEGD-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](CC[NH2+][C@H](C)c1cnn(C)c1)[NH+]1CCCCC1 ZINC000184509835 321732131 /nfs/dbraw/zinc/73/21/31/321732131.db2.gz WDHHNBYVINUEHO-ZIAGYGMSSA-N 2 1 264.417 2.335 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000641168747 372361904 /nfs/dbraw/zinc/36/19/04/372361904.db2.gz IQYCWZLIVJRVMI-HUUCEWRRSA-N 2 1 291.443 2.008 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000641168703 372362055 /nfs/dbraw/zinc/36/20/55/372362055.db2.gz HRYQFDLZNJIIED-OAHLLOKOSA-N 2 1 291.443 2.008 20 0 CEADMP CN(CCCC[NH+]1CCCCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC000641663934 372616722 /nfs/dbraw/zinc/61/67/22/372616722.db2.gz BMHFZXDGZSFXSL-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP C[N@H+](CCC[NH2+]Cc1ccncc1N)Cc1ccccc1 ZINC000641707165 372642662 /nfs/dbraw/zinc/64/26/62/372642662.db2.gz HXINAFXHJGRBMZ-UHFFFAOYSA-N 2 1 284.407 2.276 20 0 CEADMP C[N@@H+](CCC[NH2+]Cc1ccncc1N)Cc1ccccc1 ZINC000641707165 372642665 /nfs/dbraw/zinc/64/26/65/372642665.db2.gz HXINAFXHJGRBMZ-UHFFFAOYSA-N 2 1 284.407 2.276 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cscn2)[C@@H]2CCC[C@@H]21 ZINC000353390560 220057584 /nfs/dbraw/zinc/05/75/84/220057584.db2.gz ZQMLXMODTIUZKR-IHRRRGAJSA-N 2 1 265.426 2.148 20 0 CEADMP CC(C)CC[C@@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000641775946 372719600 /nfs/dbraw/zinc/71/96/00/372719600.db2.gz PYPBKSGRNOVDDI-AWEZNQCLSA-N 2 1 265.401 2.034 20 0 CEADMP CCc1noc(C2CCC([NH2+][C@H]3CCC[NH2+][C@@H]3C)CC2)n1 ZINC000333086031 205019046 /nfs/dbraw/zinc/01/90/46/205019046.db2.gz BPQNQYAWYGIKBA-RYSNWHEDSA-N 2 1 292.427 2.388 20 0 CEADMP CCc1cccc(C[NH2+][C@@H](CO)CC[NH+](CC)CC)c1 ZINC000641770606 372713460 /nfs/dbraw/zinc/71/34/60/372713460.db2.gz XLKCWTHBSMYNDA-QGZVFWFLSA-N 2 1 278.440 2.431 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000641798628 372739899 /nfs/dbraw/zinc/73/98/99/372739899.db2.gz OUXNKEVSBTUWBL-MNOVXSKESA-N 2 1 261.394 2.465 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000641798628 372739908 /nfs/dbraw/zinc/73/99/08/372739908.db2.gz OUXNKEVSBTUWBL-MNOVXSKESA-N 2 1 261.394 2.465 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)o1 ZINC000641800013 372742340 /nfs/dbraw/zinc/74/23/40/372742340.db2.gz VTRCLEDFOCELAO-CHWSQXEVSA-N 2 1 265.401 2.495 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)o1 ZINC000641800013 372742343 /nfs/dbraw/zinc/74/23/43/372742343.db2.gz VTRCLEDFOCELAO-CHWSQXEVSA-N 2 1 265.401 2.495 20 0 CEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000641802027 372745093 /nfs/dbraw/zinc/74/50/93/372745093.db2.gz GXKUKKMINKHVCG-QWRGUYRKSA-N 2 1 284.201 2.060 20 0 CEADMP CC1(C)[C@H]([NH2+]Cc2cnc(-c3ccccc3)nc2)C[C@@H]1[NH3+] ZINC000641802018 372745867 /nfs/dbraw/zinc/74/58/67/372745867.db2.gz XQPFTBFPPWCVLJ-LSDHHAIUSA-N 2 1 282.391 2.359 20 0 CEADMP CCN(C(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641803309 372748573 /nfs/dbraw/zinc/74/85/73/372748573.db2.gz BTTYFRCHVYMRKU-QEJZJMRPSA-N 2 1 289.423 2.143 20 0 CEADMP Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641806386 372751848 /nfs/dbraw/zinc/75/18/48/372751848.db2.gz RKUMRPKOYIHUNY-FPMFFAJLSA-N 2 1 275.396 2.037 20 0 CEADMP Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641805575 372752074 /nfs/dbraw/zinc/75/20/74/372752074.db2.gz NWSFYEBQGKCKRJ-STQMWFEESA-N 2 1 295.814 2.302 20 0 CEADMP Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641805574 372752491 /nfs/dbraw/zinc/75/24/91/372752491.db2.gz NWSFYEBQGKCKRJ-QWHCGFSZSA-N 2 1 295.814 2.302 20 0 CEADMP COc1cc(C)nc(CN2CCC[N@H+](C(C)C)CC2)c1 ZINC000270354219 372753549 /nfs/dbraw/zinc/75/35/49/372753549.db2.gz WUCOEIGWWBBRHF-UHFFFAOYSA-N 2 1 277.412 2.315 20 0 CEADMP Cc1cc(C)c(NC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c(C)c1 ZINC000641808314 372756368 /nfs/dbraw/zinc/75/63/68/372756368.db2.gz XYMVYCWZBFTFJL-KBPBESRZSA-N 2 1 289.423 2.266 20 0 CEADMP CC[C@](C)(O)C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000364591953 372762246 /nfs/dbraw/zinc/76/22/46/372762246.db2.gz PNPNGXMAQABHGI-INIZCTEOSA-N 2 1 277.412 2.427 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000353435247 220079588 /nfs/dbraw/zinc/07/95/88/220079588.db2.gz FAGGVXJSEFNIKC-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCC[NH+](C)CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000353435247 220079592 /nfs/dbraw/zinc/07/95/92/220079592.db2.gz FAGGVXJSEFNIKC-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCC[NH+](C)CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000353435247 220079597 /nfs/dbraw/zinc/07/95/97/220079597.db2.gz FAGGVXJSEFNIKC-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP Cc1[nH]nc2ncc(C[N@@H+](C)CC3CC[NH+](C)CC3)cc12 ZINC000353421164 220073600 /nfs/dbraw/zinc/07/36/00/220073600.db2.gz YYBNZKYBERYEAD-UHFFFAOYSA-N 2 1 287.411 2.040 20 0 CEADMP CC(C)C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)[NH+](C)C ZINC000353442007 220085079 /nfs/dbraw/zinc/08/50/79/220085079.db2.gz CNGUPQYPMCMMTB-QBPKDAKJSA-N 2 1 281.488 2.425 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000344628849 217254816 /nfs/dbraw/zinc/25/48/16/217254816.db2.gz AXOXSFRVTCWVOV-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344628849 217254818 /nfs/dbraw/zinc/25/48/18/217254818.db2.gz AXOXSFRVTCWVOV-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344628849 217254821 /nfs/dbraw/zinc/25/48/21/217254821.db2.gz AXOXSFRVTCWVOV-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000270592107 372858220 /nfs/dbraw/zinc/85/82/20/372858220.db2.gz FGXDDAKAJBNRMX-MRXNPFEDSA-N 2 1 273.380 2.247 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](CO)c1ccccc1 ZINC000270592107 372858232 /nfs/dbraw/zinc/85/82/32/372858232.db2.gz FGXDDAKAJBNRMX-MRXNPFEDSA-N 2 1 273.380 2.247 20 0 CEADMP C[NH+](C)[C@@H](C[NH2+]C1CCC(O)CC1)C1CCCCC1 ZINC000353465863 220097522 /nfs/dbraw/zinc/09/75/22/220097522.db2.gz VYKVJAWPCCCODN-GPANFISMSA-N 2 1 268.445 2.390 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@H]3CCC[NH2+][C@H]3C)CC2)n1 ZINC000333340528 205233537 /nfs/dbraw/zinc/23/35/37/205233537.db2.gz XYLGYOHXQCMROL-RSUZKEPVSA-N 2 1 278.400 2.134 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000353488175 220113518 /nfs/dbraw/zinc/11/35/18/220113518.db2.gz OCVPYDNHWXKFQC-CAOSSQGBSA-N 2 1 269.477 2.425 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000353488175 220113519 /nfs/dbraw/zinc/11/35/19/220113519.db2.gz OCVPYDNHWXKFQC-CAOSSQGBSA-N 2 1 269.477 2.425 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000353488175 220113521 /nfs/dbraw/zinc/11/35/21/220113521.db2.gz OCVPYDNHWXKFQC-CAOSSQGBSA-N 2 1 269.477 2.425 20 0 CEADMP CCO[C@H]1CCC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000643057190 372938496 /nfs/dbraw/zinc/93/84/96/372938496.db2.gz WYDFXRFICQFJQZ-RDJZCZTQSA-N 2 1 292.423 2.238 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000366654596 373103845 /nfs/dbraw/zinc/10/38/45/373103845.db2.gz CEUACCYBZMMCHQ-AWEZNQCLSA-N 3 1 290.455 2.298 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](Cc2nc3c(s2)CCC3)C[C@@H]1C[NH3+] ZINC000643427641 373114932 /nfs/dbraw/zinc/11/49/32/373114932.db2.gz HAWLFXAXEZFSDQ-WOPDTQHZSA-N 2 1 279.453 2.437 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc3c(s2)CCC3)C[C@@H]1C[NH3+] ZINC000643427641 373114941 /nfs/dbraw/zinc/11/49/41/373114941.db2.gz HAWLFXAXEZFSDQ-WOPDTQHZSA-N 2 1 279.453 2.437 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](CC)OC)[C@H](C)C1 ZINC000353559914 220158056 /nfs/dbraw/zinc/15/80/56/220158056.db2.gz MKSLPPRIWTVEQB-OAGGEKHMSA-N 2 1 286.460 2.138 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1C ZINC000643464335 373132146 /nfs/dbraw/zinc/13/21/46/373132146.db2.gz GFEAJNAAFVAFBP-LSDHHAIUSA-N 2 1 264.417 2.269 20 0 CEADMP CC(C)Oc1ncccc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000643471925 373140497 /nfs/dbraw/zinc/14/04/97/373140497.db2.gz SHUBVOBVQPCRQM-HIFRSBDPSA-N 2 1 277.412 2.347 20 0 CEADMP CC(C)OC1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000643475884 373143566 /nfs/dbraw/zinc/14/35/66/373143566.db2.gz VZBLVPDBSVXMND-VXGQWTEUSA-N 2 1 254.418 2.310 20 0 CEADMP CCOCC[NH+]1CCCC2(CCC[N@H+](CCOCC)C2)C1 ZINC000368074043 373217847 /nfs/dbraw/zinc/21/78/47/373217847.db2.gz NDBUTFWAHZFRRH-UHFFFAOYSA-N 2 1 298.471 2.237 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@H](C)[NH3+])ccc1SC ZINC000643526924 373182040 /nfs/dbraw/zinc/18/20/40/373182040.db2.gz BHOWCSSDRJTLCF-VHSXEESVSA-N 2 1 254.399 2.415 20 0 CEADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643528554 373184560 /nfs/dbraw/zinc/18/45/60/373184560.db2.gz LIGQYNCLLFTMHB-VXGBXAGGSA-N 2 1 278.400 2.214 20 0 CEADMP C[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000643529648 373187838 /nfs/dbraw/zinc/18/78/38/373187838.db2.gz JHBHUOJAPAECGJ-DZJNRPSUSA-N 2 1 287.451 2.366 20 0 CEADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1)C2 ZINC000368846415 373275385 /nfs/dbraw/zinc/27/53/85/373275385.db2.gz QQKXIOZVZDOJOA-HIFRSBDPSA-N 2 1 298.390 2.123 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(C(C)(C)C)no1)CC[NH2+]CC2 ZINC000643895279 373298318 /nfs/dbraw/zinc/29/83/18/373298318.db2.gz FDKANNUFLLZIBD-GFCCVEGCSA-N 2 1 292.427 2.331 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCOCC2(CCCC2)C1 ZINC000369015975 373314604 /nfs/dbraw/zinc/31/46/04/373314604.db2.gz HSJVKQPOAXAOHY-UHFFFAOYSA-N 2 1 277.412 2.474 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOCC2(CCCC2)C1 ZINC000369015975 373314613 /nfs/dbraw/zinc/31/46/13/373314613.db2.gz HSJVKQPOAXAOHY-UHFFFAOYSA-N 2 1 277.412 2.474 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCOCC2(CCCC2)C1 ZINC000369015975 373314621 /nfs/dbraw/zinc/31/46/21/373314621.db2.gz HSJVKQPOAXAOHY-UHFFFAOYSA-N 2 1 277.412 2.474 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000272399240 373464658 /nfs/dbraw/zinc/46/46/58/373464658.db2.gz JRYIDKNAHYDSER-UKRRQHHQSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000272399240 373464668 /nfs/dbraw/zinc/46/46/68/373464668.db2.gz JRYIDKNAHYDSER-UKRRQHHQSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000272399240 373464679 /nfs/dbraw/zinc/46/46/79/373464679.db2.gz JRYIDKNAHYDSER-UKRRQHHQSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000272399240 373464686 /nfs/dbraw/zinc/46/46/86/373464686.db2.gz JRYIDKNAHYDSER-UKRRQHHQSA-N 2 1 290.407 2.317 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)C(F)(F)F)C1 ZINC000644522519 373509039 /nfs/dbraw/zinc/50/90/39/373509039.db2.gz PBOQTUSLXRUCMN-FRRDWIJNSA-N 2 1 296.377 2.257 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000644524171 373510423 /nfs/dbraw/zinc/51/04/23/373510423.db2.gz XJSKCCHXMCJNBF-LAVFITLUSA-N 2 1 288.435 2.367 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1(C(=O)OC)CCC1 ZINC000369836536 373519851 /nfs/dbraw/zinc/51/98/51/373519851.db2.gz VMQYUHVYPGKVTF-KFWWJZLASA-N 2 1 294.439 2.325 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CC(C)(C)c2ccccc21)C1CC1 ZINC000644602539 373554095 /nfs/dbraw/zinc/55/40/95/373554095.db2.gz DCRJKEUHFMAYQP-YOEHRIQHSA-N 2 1 288.435 2.454 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CC(C)(C)c2ccccc21)C1CC1 ZINC000644602539 373554104 /nfs/dbraw/zinc/55/41/04/373554104.db2.gz DCRJKEUHFMAYQP-YOEHRIQHSA-N 2 1 288.435 2.454 20 0 CEADMP CC[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272575779 373559523 /nfs/dbraw/zinc/55/95/23/373559523.db2.gz IXGZKJBRSMJQIQ-HYVNUMGLSA-N 2 1 276.424 2.258 20 0 CEADMP CC1CCC(O)(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000644632318 373571708 /nfs/dbraw/zinc/57/17/08/373571708.db2.gz ZSQFAPSNSNTVAC-CGZBRXJRSA-N 2 1 298.471 2.018 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000371196058 373808876 /nfs/dbraw/zinc/80/88/76/373808876.db2.gz BPNIMNSHBCWLJB-MRXNPFEDSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000371196058 373808882 /nfs/dbraw/zinc/80/88/82/373808882.db2.gz BPNIMNSHBCWLJB-MRXNPFEDSA-N 2 1 277.412 2.330 20 0 CEADMP [NH3+]C1(C(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)CCCC1 ZINC000371263908 373824416 /nfs/dbraw/zinc/82/44/16/373824416.db2.gz FVTMNSBWVCADIM-AWEZNQCLSA-N 2 1 293.455 2.171 20 0 CEADMP Cc1ccncc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371295217 373835400 /nfs/dbraw/zinc/83/54/00/373835400.db2.gz PSSMAWRLMJXOLX-BRWVUGGUSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ccncc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371295217 373835404 /nfs/dbraw/zinc/83/54/04/373835404.db2.gz PSSMAWRLMJXOLX-BRWVUGGUSA-N 2 1 289.423 2.074 20 0 CEADMP Cn1ccnc1-c1cccc(C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000371450162 373887068 /nfs/dbraw/zinc/88/70/68/373887068.db2.gz YMONTMPNIQUMAI-UHFFFAOYSA-N 2 1 284.407 2.271 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](C)CC1 ZINC000371671163 373946242 /nfs/dbraw/zinc/94/62/42/373946242.db2.gz IWZBVPAKVUOSPU-UHFFFAOYSA-N 2 1 283.460 2.053 20 0 CEADMP Cc1[nH]c2ncnc(N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)c2c1C ZINC000645193708 373909855 /nfs/dbraw/zinc/90/98/55/373909855.db2.gz IXQUKTYFKRRUCN-UONOGXRCSA-N 2 1 299.422 2.495 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000372255455 374077570 /nfs/dbraw/zinc/07/75/70/374077570.db2.gz MEVZINZNIQAFIO-DLBZAZTESA-N 2 1 279.472 2.421 20 0 CEADMP CC[N@@H+]1C[C@H](NCCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000343113857 220248419 /nfs/dbraw/zinc/24/84/19/220248419.db2.gz ZSMQOVHJXVUZIK-HOTGVXAUSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+](C)C ZINC000274823228 374062764 /nfs/dbraw/zinc/06/27/64/374062764.db2.gz KLLIFMTVARMLOV-RDJZCZTQSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN(C)C ZINC000274823228 374062775 /nfs/dbraw/zinc/06/27/75/374062775.db2.gz KLLIFMTVARMLOV-RDJZCZTQSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN(C)C ZINC000274823228 374062778 /nfs/dbraw/zinc/06/27/78/374062778.db2.gz KLLIFMTVARMLOV-RDJZCZTQSA-N 2 1 275.440 2.048 20 0 CEADMP CCC(CC)C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372450836 374132558 /nfs/dbraw/zinc/13/25/58/374132558.db2.gz CMVXYKZVQXZTRY-QGZVFWFLSA-N 2 1 281.488 2.382 20 0 CEADMP CC[C@@H](O)C[N@H+]1CCC[C@H]1CNc1cccc(C)n1 ZINC000372788001 374199234 /nfs/dbraw/zinc/19/92/34/374199234.db2.gz YZEXHXSLUYHMMC-UONOGXRCSA-N 2 1 263.385 2.037 20 0 CEADMP CC[C@@H](O)C[N@H+]1CCC[C@@H]1CNc1cccc(C)n1 ZINC000372788002 374199359 /nfs/dbraw/zinc/19/93/59/374199359.db2.gz YZEXHXSLUYHMMC-ZIAGYGMSSA-N 2 1 263.385 2.037 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645811348 374199458 /nfs/dbraw/zinc/19/94/58/374199458.db2.gz NAGWNTLMQSBXKI-DLBZAZTESA-N 2 1 298.471 2.236 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(CO)c1 ZINC000373189956 374288024 /nfs/dbraw/zinc/28/80/24/374288024.db2.gz HAZCVQGYGMUBMS-RRQGHBQHSA-N 2 1 274.408 2.456 20 0 CEADMP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCCn2cc[nH+]c2C)C12CCC2 ZINC000373225647 374299594 /nfs/dbraw/zinc/29/95/94/374299594.db2.gz BXXYDMVFHGDULW-AEGPPILISA-N 2 1 277.412 2.375 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000373234227 374301927 /nfs/dbraw/zinc/30/19/27/374301927.db2.gz XPWRQUVIGZKQMX-LLVKDONJSA-N 2 1 262.382 2.256 20 0 CEADMP C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ncc[nH]1 ZINC000373347034 374331478 /nfs/dbraw/zinc/33/14/78/374331478.db2.gz VSOGWLAXOHSUAA-GFCCVEGCSA-N 2 1 267.336 2.446 20 0 CEADMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccco2)CC1 ZINC000276956823 374359703 /nfs/dbraw/zinc/35/97/03/374359703.db2.gz VBMTWUXHWBPMEW-UHFFFAOYSA-N 2 1 279.428 2.129 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1cnn(C)c1 ZINC000277409674 374508280 /nfs/dbraw/zinc/50/82/80/374508280.db2.gz ZZVVAXNFUKXPKA-UHFFFAOYSA-N 2 1 289.427 2.134 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1cnn(C)c1 ZINC000277409674 374508285 /nfs/dbraw/zinc/50/82/85/374508285.db2.gz ZZVVAXNFUKXPKA-UHFFFAOYSA-N 2 1 289.427 2.134 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2)CCCO1 ZINC000277690327 374611588 /nfs/dbraw/zinc/61/15/88/374611588.db2.gz HIKRIYOGANCABZ-HNNXBMFYSA-N 2 1 262.397 2.277 20 0 CEADMP CC(C)C[C@H](C)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000375593952 374664572 /nfs/dbraw/zinc/66/45/72/374664572.db2.gz BDSIPVWADFSCJS-DLBZAZTESA-N 2 1 281.488 2.380 20 0 CEADMP C[NH+](C)Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000277892205 374677500 /nfs/dbraw/zinc/67/75/00/374677500.db2.gz LLGTYPLWKWMVKR-UHFFFAOYSA-N 2 1 286.379 2.394 20 0 CEADMP C[N@H+]1CC[C@H](NCc2cscn2)[C@@H]2CCC[C@H]21 ZINC000377124219 374796941 /nfs/dbraw/zinc/79/69/41/374796941.db2.gz DFRMTLGSAFDGAB-RWMBFGLXSA-N 2 1 251.399 2.106 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000684368452 541984887 /nfs/dbraw/zinc/98/48/87/541984887.db2.gz OVYDSFMKMBNHPK-NWANDNLSSA-N 2 1 265.401 2.375 20 0 CEADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccsc3)C2)CC1 ZINC000377632256 374907145 /nfs/dbraw/zinc/90/71/45/374907145.db2.gz WANUACMZTWYKQD-OAHLLOKOSA-N 2 1 293.480 2.208 20 0 CEADMP Cc1[nH+]c(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2n1CCCC2 ZINC000378431181 375099640 /nfs/dbraw/zinc/09/96/40/375099640.db2.gz NXTIUYZWONJVSN-LSDHHAIUSA-N 2 1 288.439 2.244 20 0 CEADMP Cc1[nH+]c(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2n1CCCC2 ZINC000378431181 375099642 /nfs/dbraw/zinc/09/96/42/375099642.db2.gz NXTIUYZWONJVSN-LSDHHAIUSA-N 2 1 288.439 2.244 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCOC(C)(C)C1 ZINC000378292850 375062040 /nfs/dbraw/zinc/06/20/40/375062040.db2.gz LEPGQOIXRZMJCU-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCOC(C)(C)C1 ZINC000378292850 375062046 /nfs/dbraw/zinc/06/20/46/375062046.db2.gz LEPGQOIXRZMJCU-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP C[C@H]1C[C@@H](NC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379626564 375154347 /nfs/dbraw/zinc/15/43/47/375154347.db2.gz HHJJIXPHBKOXRY-YJBOKZPZSA-N 2 1 287.451 2.381 20 0 CEADMP Fc1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000380795035 375165494 /nfs/dbraw/zinc/16/54/94/375165494.db2.gz XIGIWQPLFFVXQJ-OKILXGFUSA-N 2 1 278.371 2.136 20 0 CEADMP CSCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280557052 375243452 /nfs/dbraw/zinc/24/34/52/375243452.db2.gz URWFXHJVCPNXGW-IYBDPMFKSA-N 2 1 276.449 2.413 20 0 CEADMP CSCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280557052 375243461 /nfs/dbraw/zinc/24/34/61/375243461.db2.gz URWFXHJVCPNXGW-IYBDPMFKSA-N 2 1 276.449 2.413 20 0 CEADMP CSCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280557052 375243466 /nfs/dbraw/zinc/24/34/66/375243466.db2.gz URWFXHJVCPNXGW-IYBDPMFKSA-N 2 1 276.449 2.413 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000389867577 375307952 /nfs/dbraw/zinc/30/79/52/375307952.db2.gz MRVLEVBXZFQFRH-UBDQQSCGSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000389867577 375307955 /nfs/dbraw/zinc/30/79/55/375307955.db2.gz MRVLEVBXZFQFRH-UBDQQSCGSA-N 2 1 287.451 2.366 20 0 CEADMP CCc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282342860 375461138 /nfs/dbraw/zinc/46/11/38/375461138.db2.gz MFNJKLIHSXWTNF-UHFFFAOYSA-N 2 1 289.467 2.365 20 0 CEADMP Cc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000282393811 375474361 /nfs/dbraw/zinc/47/43/61/375474361.db2.gz PDYTUPXQCIPBLS-UHFFFAOYSA-N 2 1 289.467 2.419 20 0 CEADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261721592 296232707 /nfs/dbraw/zinc/23/27/07/296232707.db2.gz KHVJXGJPFHDIBV-BBRMVZONSA-N 2 1 293.842 2.381 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414185136 375800436 /nfs/dbraw/zinc/80/04/36/375800436.db2.gz OGWYNHNHVWOGAE-HIFRSBDPSA-N 2 1 276.428 2.119 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000414171699 375800602 /nfs/dbraw/zinc/80/06/02/375800602.db2.gz DNXOBHAKCPDGQQ-WFASDCNBSA-N 2 1 276.428 2.476 20 0 CEADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000414189287 375800710 /nfs/dbraw/zinc/80/07/10/375800710.db2.gz RSTAULSXHFQXIO-UIEKQHFFSA-N 2 1 266.429 2.406 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)[C@@H](C)C1 ZINC000414279066 375817429 /nfs/dbraw/zinc/81/74/29/375817429.db2.gz IRZTWPFCCWKYLS-RMEBNNNOSA-N 2 1 254.418 2.120 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc4c3OC(F)(F)O4)C[C@H]12 ZINC000414667189 375907956 /nfs/dbraw/zinc/90/79/56/375907956.db2.gz HCTDSDZDUPZGGK-ADEWGFFLSA-N 2 1 296.317 2.177 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4c3OC(F)(F)O4)C[C@H]12 ZINC000414667189 375907963 /nfs/dbraw/zinc/90/79/63/375907963.db2.gz HCTDSDZDUPZGGK-ADEWGFFLSA-N 2 1 296.317 2.177 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@H](C)CC(=O)Nc1ccccc1 ZINC000414764737 375955009 /nfs/dbraw/zinc/95/50/09/375955009.db2.gz YZUMBGYHHIGIHZ-CQSZACIVSA-N 2 1 277.412 2.465 20 0 CEADMP COc1ccc(C[C@H](C)C[N@@H+](C)C2CC([NH3+])C2)cc1F ZINC000414766617 375956640 /nfs/dbraw/zinc/95/66/40/375956640.db2.gz FAFZIUYXJGUYLX-XGNXJENSSA-N 2 1 280.387 2.434 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414772021 375961352 /nfs/dbraw/zinc/96/13/52/375961352.db2.gz BCSKJZNKVIRUMU-CABCVRRESA-N 2 1 289.423 2.220 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc12 ZINC000414787186 375969666 /nfs/dbraw/zinc/96/96/66/375969666.db2.gz VGZFOPYAJSLPIH-LSDHHAIUSA-N 2 1 299.422 2.088 20 0 CEADMP CCCn1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414788592 375971431 /nfs/dbraw/zinc/97/14/31/375971431.db2.gz XEDPUMQEUWWHKI-JKSUJKDBSA-N 2 1 276.428 2.115 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414678493 375913194 /nfs/dbraw/zinc/91/31/94/375913194.db2.gz YLLONAXEDGECFI-GJZGRUSLSA-N 2 1 289.423 2.253 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@H]([NH3+])CC(C)C)[C@@H](C)C1 ZINC000414699105 375927011 /nfs/dbraw/zinc/92/70/11/375927011.db2.gz JGTDBGQVIDYJSE-ZNMIVQPWSA-N 2 1 255.450 2.022 20 0 CEADMP CC(C)C[C@@H]1COCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414703796 375930099 /nfs/dbraw/zinc/93/00/99/375930099.db2.gz VUBLHYKKDUPDFP-RRFJBIMHSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000414707214 375931725 /nfs/dbraw/zinc/93/17/25/375931725.db2.gz YPTHYEFHDZFFEG-WBVHZDCISA-N 2 1 290.455 2.134 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)CC[NH2+]1 ZINC000414715470 375936460 /nfs/dbraw/zinc/93/64/60/375936460.db2.gz WYMOIWFYMWSULT-FPCVCCKLSA-N 2 1 276.428 2.154 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](CCO)CC2CCCCC2)CC[NH2+]1 ZINC000414732988 375944109 /nfs/dbraw/zinc/94/41/09/375944109.db2.gz CAINZORCJITSCB-ZBFHGGJFSA-N 2 1 268.445 2.249 20 0 CEADMP COCC[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414745139 375947667 /nfs/dbraw/zinc/94/76/67/375947667.db2.gz PCKBRZDJNMRUCL-GXTWGEPZSA-N 2 1 297.468 2.288 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OCCOC)cc1 ZINC000414805368 375991922 /nfs/dbraw/zinc/99/19/22/375991922.db2.gz OSIGZALUUHHUJF-UHFFFAOYSA-N 2 1 280.412 2.319 20 0 CEADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(C)c1 ZINC000414810616 375996859 /nfs/dbraw/zinc/99/68/59/375996859.db2.gz VKEBWCFTJVTJJD-BBRMVZONSA-N 2 1 289.423 2.347 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000414816485 376002797 /nfs/dbraw/zinc/00/27/97/376002797.db2.gz XFEPKODIZVHWKC-BLLLJJGKSA-N 2 1 262.397 2.343 20 0 CEADMP C1CC1[C@H]1CCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415054896 376018567 /nfs/dbraw/zinc/01/85/67/376018567.db2.gz NZRLQHKVMSDNBQ-HIEASXQVSA-N 2 1 291.483 2.371 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000414802655 375987654 /nfs/dbraw/zinc/98/76/54/375987654.db2.gz LAEUYSHCOUAFGB-UHFFFAOYSA-N 2 1 262.332 2.043 20 0 CEADMP Cc1ccnc(C)c1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000287385879 376219304 /nfs/dbraw/zinc/21/93/04/376219304.db2.gz CLRNBVCJYISOFB-UONOGXRCSA-N 2 1 288.395 2.256 20 0 CEADMP COCCc1ccnc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000287398420 376223308 /nfs/dbraw/zinc/22/33/08/376223308.db2.gz IZLBZQFPPKYDFQ-KCQAQPDRSA-N 2 1 277.412 2.411 20 0 CEADMP C[C@H](C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262476592 190055941 /nfs/dbraw/zinc/05/59/41/190055941.db2.gz YZVVZBARUILGJM-UONOGXRCSA-N 2 1 289.423 2.452 20 0 CEADMP C[C@@H](C[NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000262476590 190056149 /nfs/dbraw/zinc/05/61/49/190056149.db2.gz YZVVZBARUILGJM-KGLIPLIRSA-N 2 1 289.423 2.452 20 0 CEADMP C[N@@H+](CCOCC1CCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000419216672 376397526 /nfs/dbraw/zinc/39/75/26/376397526.db2.gz OFYCILDCRMDAHP-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP C[NH+](CCOCC1CCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000419216672 376397534 /nfs/dbraw/zinc/39/75/34/376397534.db2.gz OFYCILDCRMDAHP-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP C[NH+](CCOCC1CCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000419216672 376397542 /nfs/dbraw/zinc/39/75/42/376397542.db2.gz OFYCILDCRMDAHP-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP COC1CCC([NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000419784905 376496233 /nfs/dbraw/zinc/49/62/33/376496233.db2.gz RKDAMBHKKKWOHG-UHFFFAOYSA-N 2 1 263.385 2.195 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000556923981 376518958 /nfs/dbraw/zinc/51/89/58/376518958.db2.gz OTOLRDUTPUGZSU-MWDXBVQZSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000556923981 376518968 /nfs/dbraw/zinc/51/89/68/376518968.db2.gz OTOLRDUTPUGZSU-MWDXBVQZSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000556923981 376518975 /nfs/dbraw/zinc/51/89/75/376518975.db2.gz OTOLRDUTPUGZSU-MWDXBVQZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)CCCO1 ZINC000556937461 376519904 /nfs/dbraw/zinc/51/99/04/376519904.db2.gz WHRNSXFLBNTPJK-QXSJWSMHSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)CCCO1 ZINC000556937461 376519913 /nfs/dbraw/zinc/51/99/13/376519913.db2.gz WHRNSXFLBNTPJK-QXSJWSMHSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2cncn2C)CC1 ZINC000556777301 376484166 /nfs/dbraw/zinc/48/41/66/376484166.db2.gz TUSOQYNOKRWKPJ-UHFFFAOYSA-N 2 1 278.444 2.015 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305773351 376486170 /nfs/dbraw/zinc/48/61/70/376486170.db2.gz WMHJIWIAUCDKPG-KKUMJFAQSA-N 2 1 268.445 2.246 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000557189699 376542466 /nfs/dbraw/zinc/54/24/66/376542466.db2.gz PGPHFRFQYLIILT-GFCCVEGCSA-N 2 1 292.427 2.002 20 0 CEADMP C[C@@]1(C[NH2+]Cc2cncnc2)CC[N@H+](Cc2ccccc2)C1 ZINC000309723051 376603114 /nfs/dbraw/zinc/60/31/14/376603114.db2.gz MTSIAPBENHGXRG-SFHVURJKSA-N 2 1 296.418 2.478 20 0 CEADMP C[C@@]1(C[NH2+]Cc2cncnc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309723051 376603116 /nfs/dbraw/zinc/60/31/16/376603116.db2.gz MTSIAPBENHGXRG-SFHVURJKSA-N 2 1 296.418 2.478 20 0 CEADMP C(CC1CCOCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310651647 376630199 /nfs/dbraw/zinc/63/01/99/376630199.db2.gz YQXDQXAHGDQWPD-CABCVRRESA-N 2 1 252.402 2.020 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)CCCc1ccccc1)C1CC1 ZINC000290077576 376632720 /nfs/dbraw/zinc/63/27/20/376632720.db2.gz USUKMNVPMRKUQG-KRWDZBQOSA-N 2 1 276.424 2.006 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)CCCc1ccccc1)C1CC1 ZINC000290077576 376632724 /nfs/dbraw/zinc/63/27/24/376632724.db2.gz USUKMNVPMRKUQG-KRWDZBQOSA-N 2 1 276.424 2.006 20 0 CEADMP C[NH+](CCCc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290077576 376632730 /nfs/dbraw/zinc/63/27/30/376632730.db2.gz USUKMNVPMRKUQG-KRWDZBQOSA-N 2 1 276.424 2.006 20 0 CEADMP C[NH+](CCCc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290077576 376632732 /nfs/dbraw/zinc/63/27/32/376632732.db2.gz USUKMNVPMRKUQG-KRWDZBQOSA-N 2 1 276.424 2.006 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000312067507 376700246 /nfs/dbraw/zinc/70/02/46/376700246.db2.gz LQODKCIFUVKVGS-CQSZACIVSA-N 2 1 263.385 2.130 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000290249407 376704050 /nfs/dbraw/zinc/70/40/50/376704050.db2.gz JTXVBNMJPPGQFY-NYTXWWLZSA-N 2 1 274.408 2.481 20 0 CEADMP CCOC(=O)c1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)o1 ZINC000290450318 376783122 /nfs/dbraw/zinc/78/31/22/376783122.db2.gz MIJYOYNYJCGVAB-JSGCOSHPSA-N 2 1 294.395 2.228 20 0 CEADMP COc1cc2c(cc1C[NH2+]CCC[NH2+]C1CC1)O[C@H](C)C2 ZINC000560966709 376787203 /nfs/dbraw/zinc/78/72/03/376787203.db2.gz NBSWFNKSWHKYKJ-GFCCVEGCSA-N 2 1 290.407 2.250 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnn4ccccc34)C2)CC1 ZINC000290412877 376766930 /nfs/dbraw/zinc/76/69/30/376766930.db2.gz KCSCPPVFPJRBHB-INIZCTEOSA-N 2 1 298.434 2.498 20 0 CEADMP CC(C)[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@H](O)C(F)(F)F ZINC000685414372 542134166 /nfs/dbraw/zinc/13/41/66/542134166.db2.gz YUDYCZQNGARSJX-STQMWFEESA-N 2 1 296.377 2.400 20 0 CEADMP Cc1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000280472212 542130868 /nfs/dbraw/zinc/13/08/68/542130868.db2.gz CTCSTTUWOBUMPT-HOTGVXAUSA-N 2 1 259.397 2.149 20 0 CEADMP C[C@]1(CCCO)CCC[N@H+]1Cc1cccc2nccn21 ZINC000290555682 376831416 /nfs/dbraw/zinc/83/14/16/376831416.db2.gz SALZUACSUFMLKT-MRXNPFEDSA-N 2 1 273.380 2.461 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH+](CC)C[C@H]1C ZINC000562093008 376844472 /nfs/dbraw/zinc/84/44/72/376844472.db2.gz UBIFZOWRHXWDDI-OAGGEKHMSA-N 2 1 269.477 2.427 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000562093008 376844477 /nfs/dbraw/zinc/84/44/77/376844477.db2.gz UBIFZOWRHXWDDI-OAGGEKHMSA-N 2 1 269.477 2.427 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000562093008 376844483 /nfs/dbraw/zinc/84/44/83/376844483.db2.gz UBIFZOWRHXWDDI-OAGGEKHMSA-N 2 1 269.477 2.427 20 0 CEADMP Cc1nccn1-c1ccc(CN[C@@H](C)C2C[NH2+]C2)cc1F ZINC000422901418 376858897 /nfs/dbraw/zinc/85/88/97/376858897.db2.gz KTDARABLSAODGS-NSHDSACASA-N 3 1 288.370 2.017 20 0 CEADMP CC1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000562328555 376867635 /nfs/dbraw/zinc/86/76/35/376867635.db2.gz MKOSUGXVTDCPQL-QGZVFWFLSA-N 2 1 274.408 2.013 20 0 CEADMP CC1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000562328555 376867647 /nfs/dbraw/zinc/86/76/47/376867647.db2.gz MKOSUGXVTDCPQL-QGZVFWFLSA-N 2 1 274.408 2.013 20 0 CEADMP COc1cccc(CCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422950150 376872811 /nfs/dbraw/zinc/87/28/11/376872811.db2.gz XDTATCRZJCWBJT-CJNGLKHVSA-N 2 1 262.397 2.215 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422957151 376882967 /nfs/dbraw/zinc/88/29/67/376882967.db2.gz SCOAFIRTJCXQGH-XJKCOSOUSA-N 2 1 262.397 2.356 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422958787 376883824 /nfs/dbraw/zinc/88/38/24/376883824.db2.gz PYKGGHWMYMQEPZ-MXASKKJJSA-N 3 1 290.455 2.338 20 0 CEADMP CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422979934 376903756 /nfs/dbraw/zinc/90/37/56/376903756.db2.gz NXNCUMRKJXBRIL-QLFBSQMISA-N 2 1 256.434 2.294 20 0 CEADMP CCC(CC)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)[NH+](C)C ZINC000422963063 376888468 /nfs/dbraw/zinc/88/84/68/376888468.db2.gz HIOFWZFPTSNCRU-AVVWSFFYSA-N 3 1 269.477 2.460 20 0 CEADMP COCCCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000423001621 376920345 /nfs/dbraw/zinc/92/03/45/376920345.db2.gz IESQRYJUTLXMSP-JKSUJKDBSA-N 2 1 278.396 2.071 20 0 CEADMP C[C@H]([NH2+]CCc1nn(C)c2ccccc12)[C@H]1CCCC[NH2+]1 ZINC000423057304 376952360 /nfs/dbraw/zinc/95/23/60/376952360.db2.gz ZGCBMOVDXNGRQM-DZGCQCFKSA-N 2 1 286.423 2.236 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000423120118 377014742 /nfs/dbraw/zinc/01/47/42/377014742.db2.gz GKUVVCKRNCUMSF-IDCNUPLLSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)[C@H]1CCC[NH2+]1 ZINC000423124729 377022116 /nfs/dbraw/zinc/02/21/16/377022116.db2.gz HDTWGFJJXURZOG-CMPLNLGQSA-N 2 1 287.329 2.373 20 0 CEADMP C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCC[NH2+]1 ZINC000423129550 377027636 /nfs/dbraw/zinc/02/76/36/377027636.db2.gz FGJALAWSCMUQGJ-MFKMUULPSA-N 2 1 287.329 2.373 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423141696 377039320 /nfs/dbraw/zinc/03/93/20/377039320.db2.gz RIQAZPZCTSBIQY-ZNMIVQPWSA-N 2 1 255.450 2.214 20 0 CEADMP OC[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CC1 ZINC000423144041 377042498 /nfs/dbraw/zinc/04/24/98/377042498.db2.gz YDZUDMQDGNXUJK-YESZJQIVSA-N 2 1 274.408 2.088 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423085157 376980283 /nfs/dbraw/zinc/98/02/83/376980283.db2.gz JTSUGGKJZGZRIU-NXHRZFHOSA-N 2 1 287.451 2.096 20 0 CEADMP COC[C@@H](CCC[NH3+])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423092993 376988575 /nfs/dbraw/zinc/98/85/75/376988575.db2.gz FDCBJHJWRPIODV-NVXWUHKLSA-N 2 1 297.487 2.127 20 0 CEADMP COC[C@@H](CCC[NH3+])NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423092993 376988586 /nfs/dbraw/zinc/98/85/86/376988586.db2.gz FDCBJHJWRPIODV-NVXWUHKLSA-N 2 1 297.487 2.127 20 0 CEADMP C[C@@H]([NH2+]CC1(C(F)(F)F)CCC1)[C@H]1CCC[NH2+]1 ZINC000423101188 376993357 /nfs/dbraw/zinc/99/33/57/376993357.db2.gz CQWJDEZMAXHMRV-NXEZZACHSA-N 2 1 250.308 2.449 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000423113172 377007534 /nfs/dbraw/zinc/00/75/34/377007534.db2.gz KKGHLNMLZYKADK-BLLLJJGKSA-N 2 1 257.381 2.298 20 0 CEADMP [NH3+]CCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423195523 377109533 /nfs/dbraw/zinc/10/95/33/377109533.db2.gz STQJYLWBZVQQLD-KZNAEPCWSA-N 2 1 287.451 2.226 20 0 CEADMP [NH3+]CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423195523 377109540 /nfs/dbraw/zinc/10/95/40/377109540.db2.gz STQJYLWBZVQQLD-KZNAEPCWSA-N 3 1 287.451 2.226 20 0 CEADMP [NH3+]CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423195523 377109547 /nfs/dbraw/zinc/10/95/47/377109547.db2.gz STQJYLWBZVQQLD-KZNAEPCWSA-N 3 1 287.451 2.226 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000423203267 377120607 /nfs/dbraw/zinc/12/06/07/377120607.db2.gz CDYPKNXVNNOORS-NWDGAFQWSA-N 2 1 266.360 2.485 20 0 CEADMP Cc1csc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000423156105 377058938 /nfs/dbraw/zinc/05/89/38/377058938.db2.gz RSPFYJDZTZDGSM-RBSFLKMASA-N 2 1 280.437 2.303 20 0 CEADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423157363 377059363 /nfs/dbraw/zinc/05/93/63/377059363.db2.gz AQRCRWZERNYXLM-BFQNTYOBSA-N 2 1 280.387 2.353 20 0 CEADMP COc1ncc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1Cl ZINC000423163875 377066745 /nfs/dbraw/zinc/06/67/45/377066745.db2.gz VWUOYZZKHPBCJW-STQMWFEESA-N 2 1 283.803 2.493 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423165440 377069344 /nfs/dbraw/zinc/06/93/44/377069344.db2.gz QATBGDYAHDFSPQ-KBPBESRZSA-N 2 1 253.434 2.110 20 0 CEADMP C[C@H]([C@@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423166696 377071877 /nfs/dbraw/zinc/07/18/77/377071877.db2.gz VUTPNOWDHABXBW-HZSPNIEDSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@H]([C@@H]1CCC[NH2+]1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423166696 377071883 /nfs/dbraw/zinc/07/18/83/377071883.db2.gz VUTPNOWDHABXBW-HZSPNIEDSA-N 2 1 254.443 2.346 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C12CCC2 ZINC000423173059 377081380 /nfs/dbraw/zinc/08/13/80/377081380.db2.gz WUAZWEMRSQAWQC-XDQVBPFNSA-N 2 1 252.402 2.064 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1cnn(C)c1 ZINC000423207647 377124088 /nfs/dbraw/zinc/12/40/88/377124088.db2.gz XYHYKQOUJSNSBM-LBPRGKRZSA-N 2 1 250.390 2.122 20 0 CEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000423180727 377092982 /nfs/dbraw/zinc/09/29/82/377092982.db2.gz ITDXTTCQQJKYLY-NSHDSACASA-N 2 1 265.376 2.294 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423183018 377094981 /nfs/dbraw/zinc/09/49/81/377094981.db2.gz MIASIAXUVPNAGN-BJJXKVORSA-N 2 1 277.387 2.135 20 0 CEADMP Cc1c([C@H](C)[NH2+]C2CC[NH2+]CC2)cnn1C(C)(C)C ZINC000423182444 377095020 /nfs/dbraw/zinc/09/50/20/377095020.db2.gz KJCNWINILDEJNR-NSHDSACASA-N 2 1 264.417 2.349 20 0 CEADMP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@H]3CCC[NH2+]C3)C2)c1 ZINC000423190038 377103057 /nfs/dbraw/zinc/10/30/57/377103057.db2.gz NGMHYARZAVARAN-BMFZPTHFSA-N 2 1 259.397 2.449 20 0 CEADMP COc1cccc(C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423194328 377107683 /nfs/dbraw/zinc/10/76/83/377107683.db2.gz RFPOFODYHRLIPL-WBVHZDCISA-N 2 1 274.408 2.358 20 0 CEADMP C[NH2+]CC[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423223574 377138912 /nfs/dbraw/zinc/13/89/12/377138912.db2.gz GQENTHCCOUFHJO-CABCVRRESA-N 2 1 262.397 2.179 20 0 CEADMP C[C@H]1C[C@H](NCC[NH2+]C2CCCCCC2)CC[N@H+]1C ZINC000423274982 377197853 /nfs/dbraw/zinc/19/78/53/377197853.db2.gz LCWYYPHAQTWEEN-GOEBONIOSA-N 2 1 267.461 2.371 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000423274820 377198083 /nfs/dbraw/zinc/19/80/83/377198083.db2.gz MNYMRWWFDMAIDM-WMLDXEAASA-N 2 1 291.439 2.157 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423261345 377178849 /nfs/dbraw/zinc/17/88/49/377178849.db2.gz JSURBOOYUZOBMN-UKRRQHHQSA-N 2 1 283.460 2.131 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423261119 377178968 /nfs/dbraw/zinc/17/89/68/377178968.db2.gz JBSBWAKUJPBSCN-NHYWBVRUSA-N 2 1 264.417 2.287 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)CCC2 ZINC000423264593 377181386 /nfs/dbraw/zinc/18/13/86/377181386.db2.gz AGYHRMNDLBFJSW-HOTGVXAUSA-N 2 1 260.381 2.400 20 0 CEADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 ZINC000423265135 377184506 /nfs/dbraw/zinc/18/45/06/377184506.db2.gz ATVCFGRBLVIXPJ-QEJZJMRPSA-N 2 1 282.428 2.215 20 0 CEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2c(c1)OCCCO2 ZINC000423283004 377210765 /nfs/dbraw/zinc/21/07/65/377210765.db2.gz VPCAKRCRQJTYHB-FZMZJTMJSA-N 2 1 276.380 2.236 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](COC)c1ccc(F)c(F)c1 ZINC000423283640 377211754 /nfs/dbraw/zinc/21/17/54/377211754.db2.gz XRJFBOHGEHECGV-HZMBPMFUSA-N 2 1 272.339 2.097 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c(C)c1OC ZINC000423335996 377267150 /nfs/dbraw/zinc/26/71/50/377267150.db2.gz XNXPZIGZBCFWPG-FZMZJTMJSA-N 2 1 278.396 2.400 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000423302926 377232230 /nfs/dbraw/zinc/23/22/30/377232230.db2.gz WKZNCARTWAYGFF-XJFOESAGSA-N 2 1 270.417 2.071 20 0 CEADMP c1cncc([C@H]2CCC[C@H]([NH2+][C@H]3CCC[NH2+]C3)C2)c1 ZINC000423304149 377233096 /nfs/dbraw/zinc/23/30/96/377233096.db2.gz NGMHYARZAVARAN-BPUTZDHNSA-N 2 1 259.397 2.449 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000423313230 377242814 /nfs/dbraw/zinc/24/28/14/377242814.db2.gz WMMVQQCCYBUKQX-YUMQZZPRSA-N 2 1 290.180 2.229 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[NH3+] ZINC000423320707 377249117 /nfs/dbraw/zinc/24/91/17/377249117.db2.gz DQZRMHSLQGZGHD-RDJZCZTQSA-N 3 1 275.440 2.226 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[NH3+] ZINC000423320707 377249125 /nfs/dbraw/zinc/24/91/25/377249125.db2.gz DQZRMHSLQGZGHD-RDJZCZTQSA-N 3 1 275.440 2.226 20 0 CEADMP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@H](C)C[NH3+] ZINC000423323099 377255690 /nfs/dbraw/zinc/25/56/90/377255690.db2.gz JNSHMLWGGPYSEV-UKRRQHHQSA-N 2 1 250.386 2.165 20 0 CEADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1OC ZINC000423325629 377257245 /nfs/dbraw/zinc/25/72/45/377257245.db2.gz QJFJBUHEERRJHU-RISCZKNCSA-N 2 1 278.396 2.400 20 0 CEADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)s1 ZINC000423325100 377258159 /nfs/dbraw/zinc/25/81/59/377258159.db2.gz PZZNNSVAHJPVIJ-CABZTGNLSA-N 2 1 283.441 2.028 20 0 CEADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(-n2cccn2)cc1 ZINC000423334518 377266066 /nfs/dbraw/zinc/26/60/66/377266066.db2.gz WPEFJVNSDHAPGV-LRDDRELGSA-N 2 1 270.380 2.260 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1F ZINC000423278317 377205457 /nfs/dbraw/zinc/20/54/57/377205457.db2.gz QQCSIVQDJOVSLC-MFKMUULPSA-N 2 1 254.349 2.468 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000563980707 377333522 /nfs/dbraw/zinc/33/35/22/377333522.db2.gz PFJUBGRWCPMMNK-RTBURBONSA-N 2 1 299.462 2.431 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000332089238 377514421 /nfs/dbraw/zinc/51/44/21/377514421.db2.gz UILWLYOOQVDWJD-UHFFFAOYSA-N 2 1 290.367 2.103 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000430737674 377546698 /nfs/dbraw/zinc/54/66/98/377546698.db2.gz XPTMIWKHBISFBC-GFCCVEGCSA-N 2 1 276.371 2.122 20 0 CEADMP CCC[N@@H+](CCc1cccc(F)c1)C[C@](C)(O)C[NH2+]C ZINC000565099927 377558516 /nfs/dbraw/zinc/55/85/16/377558516.db2.gz ZHLSHEROKZFWES-MRXNPFEDSA-N 2 1 282.403 2.051 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430925131 377567389 /nfs/dbraw/zinc/56/73/89/377567389.db2.gz KMAJIRLEMRAGFX-INIZCTEOSA-N 2 1 297.402 2.441 20 0 CEADMP C[NH2+]CC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000430922251 377568463 /nfs/dbraw/zinc/56/84/63/377568463.db2.gz YQLGCZBDITXKJO-NSHDSACASA-N 2 1 266.389 2.185 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(C)(C)C)C1 ZINC000565161064 377579290 /nfs/dbraw/zinc/57/92/90/377579290.db2.gz FEQJEMDZDITIRM-UONOGXRCSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000565161064 377579294 /nfs/dbraw/zinc/57/92/94/377579294.db2.gz FEQJEMDZDITIRM-UONOGXRCSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000565161064 377579301 /nfs/dbraw/zinc/57/93/01/377579301.db2.gz FEQJEMDZDITIRM-UONOGXRCSA-N 2 1 256.434 2.057 20 0 CEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000332384226 377584990 /nfs/dbraw/zinc/58/49/90/377584990.db2.gz ZITYCEGXFOAYAK-FMKPAKJESA-N 2 1 291.443 2.200 20 0 CEADMP COC(C)(C)C[NH+](C)[C@@H](C)CC[N@H+](C)CC(C)(C)OC ZINC000533022533 542207849 /nfs/dbraw/zinc/20/78/49/542207849.db2.gz OGCSZDLJESKNOS-AWEZNQCLSA-N 2 1 288.476 2.479 20 0 CEADMP COC(C)(C)C[NH+](C)CC[C@H](C)[N@H+](C)CC(C)(C)OC ZINC000533022533 542207852 /nfs/dbraw/zinc/20/78/52/542207852.db2.gz OGCSZDLJESKNOS-AWEZNQCLSA-N 2 1 288.476 2.479 20 0 CEADMP COC(C)(C)C[NH+](C)CC[C@H](C)[N@@H+](C)CC(C)(C)OC ZINC000533022533 542207855 /nfs/dbraw/zinc/20/78/55/542207855.db2.gz OGCSZDLJESKNOS-AWEZNQCLSA-N 2 1 288.476 2.479 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000566201245 377742522 /nfs/dbraw/zinc/74/25/22/377742522.db2.gz GUPPYWHTILYDRQ-INIZCTEOSA-N 2 1 295.471 2.289 20 0 CEADMP CC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000293815362 377770216 /nfs/dbraw/zinc/77/02/16/377770216.db2.gz VVVAGVNQLOJLNC-XMTFNYHQSA-N 2 1 288.435 2.258 20 0 CEADMP Cc1cc(NC(=O)C2CC[NH+](C3CC3)CC2)cn2cc[nH+]c12 ZINC000293866612 377795801 /nfs/dbraw/zinc/79/58/01/377795801.db2.gz JWAVFVLJTYVXIO-UHFFFAOYSA-N 2 1 298.390 2.456 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCOC2)[C@@H](C)C1 ZINC000438115328 377887931 /nfs/dbraw/zinc/88/79/31/377887931.db2.gz HEWFRRGAWMAVEC-ZNMIVQPWSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CCOC2)[C@@H](C)C1 ZINC000438115328 377887939 /nfs/dbraw/zinc/88/79/39/377887939.db2.gz HEWFRRGAWMAVEC-ZNMIVQPWSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2CCOC2)[C@@H](C)C1 ZINC000438115328 377887943 /nfs/dbraw/zinc/88/79/43/377887943.db2.gz HEWFRRGAWMAVEC-ZNMIVQPWSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1CCCN1C(=O)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441355605 377937882 /nfs/dbraw/zinc/93/78/82/377937882.db2.gz KPQXTZFWUSTAIA-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H]1CCCN1C(=O)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441355605 377937884 /nfs/dbraw/zinc/93/78/84/377937884.db2.gz KPQXTZFWUSTAIA-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1ccccc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441362430 377938231 /nfs/dbraw/zinc/93/82/31/377938231.db2.gz WPLNIJXPHFHZAY-UHFFFAOYSA-N 2 1 275.440 2.111 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000442902760 378016395 /nfs/dbraw/zinc/01/63/95/378016395.db2.gz SYXNHWWMTSKACX-CYBMUJFWSA-N 2 1 276.380 2.019 20 0 CEADMP CCc1cccc(OCC[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000442756819 377990967 /nfs/dbraw/zinc/99/09/67/377990967.db2.gz KUPHZALGSSNKBQ-DZGCQCFKSA-N 2 1 262.397 2.297 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOC1CCCCCC1 ZINC000442759426 377992462 /nfs/dbraw/zinc/99/24/62/377992462.db2.gz QVRHWMDHFVCSBQ-KBPBESRZSA-N 2 1 254.418 2.395 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000442762852 377992845 /nfs/dbraw/zinc/99/28/45/377992845.db2.gz HZHHXOMSHPHKCY-NWDGAFQWSA-N 2 1 295.814 2.338 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442792854 377996096 /nfs/dbraw/zinc/99/60/96/377996096.db2.gz REFUTHLQJMESDJ-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442792854 377996101 /nfs/dbraw/zinc/99/61/01/377996101.db2.gz REFUTHLQJMESDJ-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1)C(C)C ZINC000443070919 378035294 /nfs/dbraw/zinc/03/52/94/378035294.db2.gz LWUWYLGTLOICTK-CABCVRRESA-N 2 1 283.460 2.081 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c2ccccc21 ZINC000447532604 378114006 /nfs/dbraw/zinc/11/40/06/378114006.db2.gz WOKITXYEJABEOP-JQFCIGGWSA-N 2 1 276.424 2.383 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000450251841 378327264 /nfs/dbraw/zinc/32/72/64/378327264.db2.gz DRHNNYHGIQSVKQ-PBHICJAKSA-N 2 1 276.424 2.177 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2CCC(=O)CC2)C1 ZINC000450461025 378428930 /nfs/dbraw/zinc/42/89/30/378428930.db2.gz TVWJYXOVZQYJJK-HNNXBMFYSA-N 2 1 266.429 2.409 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000450646279 378517030 /nfs/dbraw/zinc/51/70/30/378517030.db2.gz HNTZFGFUHMOPGQ-OAGGEKHMSA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000450646279 378517035 /nfs/dbraw/zinc/51/70/35/378517035.db2.gz HNTZFGFUHMOPGQ-OAGGEKHMSA-N 2 1 267.461 2.274 20 0 CEADMP CC[N@H+]1CCN(C[C@@H]2CCCC[NH+]2C(C)C)[C@@H](C)C1 ZINC000450979505 378669594 /nfs/dbraw/zinc/66/95/94/378669594.db2.gz JDAKHEPWEHUFTB-HOTGVXAUSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](C)C1 ZINC000450979505 378669598 /nfs/dbraw/zinc/66/95/98/378669598.db2.gz JDAKHEPWEHUFTB-HOTGVXAUSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)[C@@H](C)C1 ZINC000450979505 378669601 /nfs/dbraw/zinc/66/96/01/378669601.db2.gz JDAKHEPWEHUFTB-HOTGVXAUSA-N 2 1 267.461 2.275 20 0 CEADMP CC[C@H](C)[N@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000451032723 378682375 /nfs/dbraw/zinc/68/23/75/378682375.db2.gz ZJUNDDKMZLUYHU-QWHCGFSZSA-N 2 1 263.385 2.399 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453070894 378792707 /nfs/dbraw/zinc/79/27/07/378792707.db2.gz NOBJFICCKNIBLV-MRXNPFEDSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCC1 ZINC000453090283 378798304 /nfs/dbraw/zinc/79/83/04/378798304.db2.gz CBMISXFGYKZHOJ-JKSUJKDBSA-N 2 1 295.471 2.132 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)c2nccn2CC)C1 ZINC000453104584 378803924 /nfs/dbraw/zinc/80/39/24/378803924.db2.gz ZOEIUWMIYRVZIW-UONOGXRCSA-N 2 1 264.417 2.286 20 0 CEADMP C[C@@H]1CCc2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)sc2C1 ZINC000346819397 218022324 /nfs/dbraw/zinc/02/23/24/218022324.db2.gz BRHIJRNQQHIFPA-XQHKEYJVSA-N 2 1 291.464 2.437 20 0 CEADMP C[C@@H]1CCc2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)sc2C1 ZINC000346819397 218022327 /nfs/dbraw/zinc/02/23/27/218022327.db2.gz BRHIJRNQQHIFPA-XQHKEYJVSA-N 2 1 291.464 2.437 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453161567 378821366 /nfs/dbraw/zinc/82/13/66/378821366.db2.gz IUPHUCXNNWWLHK-VDHUWJSZSA-N 2 1 288.435 2.400 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cnc21 ZINC000346832615 218028078 /nfs/dbraw/zinc/02/80/78/218028078.db2.gz RFDYBDDSVJBNAQ-CWRNSKLLSA-N 2 1 299.422 2.181 20 0 CEADMP COc1ncc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000453280066 378853526 /nfs/dbraw/zinc/85/35/26/378853526.db2.gz AYUJHXUPGAYXNG-MFKMUULPSA-N 2 1 283.803 2.173 20 0 CEADMP COc1ncc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000453280066 378853532 /nfs/dbraw/zinc/85/35/32/378853532.db2.gz AYUJHXUPGAYXNG-MFKMUULPSA-N 2 1 283.803 2.173 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346849896 218035900 /nfs/dbraw/zinc/03/59/00/218035900.db2.gz UHMYOEWONWEMQY-QGTPRVQTSA-N 2 1 296.418 2.350 20 0 CEADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)OC ZINC000453297125 378856727 /nfs/dbraw/zinc/85/67/27/378856727.db2.gz HPOAKDNAXUYKFL-GBJTYRQASA-N 2 1 254.418 2.264 20 0 CEADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)[NH3+] ZINC000346855214 218037561 /nfs/dbraw/zinc/03/75/61/218037561.db2.gz ZNROSCWHCSFSRM-MRXNPFEDSA-N 2 1 275.440 2.178 20 0 CEADMP CCc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000346864731 218040909 /nfs/dbraw/zinc/04/09/09/218040909.db2.gz YZLKPVBYFKRCHA-CYZMBNFOSA-N 2 1 265.426 2.265 20 0 CEADMP COCC[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453375556 378877985 /nfs/dbraw/zinc/87/79/85/378877985.db2.gz XWRINJYKXUSWEH-SDKNFDLMSA-N 2 1 266.429 2.406 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCC[NH2+]C2)C12CCC2 ZINC000346974422 218074362 /nfs/dbraw/zinc/07/43/62/218074362.db2.gz LMQOUKAPFKWLMA-RRFJBIMHSA-N 2 1 266.429 2.266 20 0 CEADMP CC1(C)C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000453449142 378907522 /nfs/dbraw/zinc/90/75/22/378907522.db2.gz ZQJXRFLWOJPCCS-KFWWJZLASA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC000347031240 218098671 /nfs/dbraw/zinc/09/86/71/218098671.db2.gz KCGIJTAQEPMTPH-OAHLLOKOSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC000347031240 218098673 /nfs/dbraw/zinc/09/86/73/218098673.db2.gz KCGIJTAQEPMTPH-OAHLLOKOSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC000347031240 218098675 /nfs/dbraw/zinc/09/86/75/218098675.db2.gz KCGIJTAQEPMTPH-OAHLLOKOSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC000347031240 218098677 /nfs/dbraw/zinc/09/86/77/218098677.db2.gz KCGIJTAQEPMTPH-OAHLLOKOSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000347037640 218101259 /nfs/dbraw/zinc/10/12/59/218101259.db2.gz HPWWPXJSIMERNB-GXTWGEPZSA-N 2 1 264.417 2.197 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000347037640 218101261 /nfs/dbraw/zinc/10/12/61/218101261.db2.gz HPWWPXJSIMERNB-GXTWGEPZSA-N 2 1 264.417 2.197 20 0 CEADMP CC(C)[N@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000299303310 378956512 /nfs/dbraw/zinc/95/65/12/378956512.db2.gz HFUSUJCFKKGNGS-INIZCTEOSA-N 2 1 291.439 2.136 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000299303310 378956518 /nfs/dbraw/zinc/95/65/18/378956518.db2.gz HFUSUJCFKKGNGS-INIZCTEOSA-N 2 1 291.439 2.136 20 0 CEADMP COCCOc1cccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000347053449 218105957 /nfs/dbraw/zinc/10/59/57/218105957.db2.gz SEXRNYBNSPDHDZ-HOCLYGCPSA-N 2 1 292.423 2.271 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000347053527 218106142 /nfs/dbraw/zinc/10/61/42/218106142.db2.gz SJLHUKOJQDFFLY-CYBMUJFWSA-N 2 1 270.380 2.118 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000347053527 218106144 /nfs/dbraw/zinc/10/61/44/218106144.db2.gz SJLHUKOJQDFFLY-CYBMUJFWSA-N 2 1 270.380 2.118 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1-n1cncn1 ZINC000347108406 218124552 /nfs/dbraw/zinc/12/45/52/218124552.db2.gz MRYDXANWLVHQPK-RHSMWYFYSA-N 2 1 299.422 2.277 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1-n1cncn1 ZINC000347108406 218124555 /nfs/dbraw/zinc/12/45/55/218124555.db2.gz MRYDXANWLVHQPK-RHSMWYFYSA-N 2 1 299.422 2.277 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])ccc1-n1cncn1 ZINC000347108411 218125345 /nfs/dbraw/zinc/12/53/45/218125345.db2.gz MRYDXANWLVHQPK-WMLDXEAASA-N 2 1 299.422 2.277 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])ccc1-n1cncn1 ZINC000347108411 218125347 /nfs/dbraw/zinc/12/53/47/218125347.db2.gz MRYDXANWLVHQPK-WMLDXEAASA-N 2 1 299.422 2.277 20 0 CEADMP CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000347111764 218126785 /nfs/dbraw/zinc/12/67/85/218126785.db2.gz ORFKRBQUELFGOV-CHWSQXEVSA-N 2 1 263.385 2.040 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000347111764 218126788 /nfs/dbraw/zinc/12/67/88/218126788.db2.gz ORFKRBQUELFGOV-CHWSQXEVSA-N 2 1 263.385 2.040 20 0 CEADMP COCCOc1ccccc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347070099 218112065 /nfs/dbraw/zinc/11/20/65/218112065.db2.gz PKEISZWELCQZBQ-HUUCEWRRSA-N 2 1 292.423 2.271 20 0 CEADMP COC1CC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000347182228 218147768 /nfs/dbraw/zinc/14/77/68/218147768.db2.gz ATKQPADEXZIDOC-UHFFFAOYSA-N 2 1 274.408 2.202 20 0 CEADMP COC1CC([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000347182228 218147770 /nfs/dbraw/zinc/14/77/70/218147770.db2.gz ATKQPADEXZIDOC-UHFFFAOYSA-N 2 1 274.408 2.202 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(Cl)c1 ZINC000347172150 218145789 /nfs/dbraw/zinc/14/57/89/218145789.db2.gz OJTWVKYXVUALNT-SNVBAGLBSA-N 2 1 254.761 2.129 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)c(Cl)c1 ZINC000347172150 218145790 /nfs/dbraw/zinc/14/57/90/218145790.db2.gz OJTWVKYXVUALNT-SNVBAGLBSA-N 2 1 254.761 2.129 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000347403112 218223500 /nfs/dbraw/zinc/22/35/00/218223500.db2.gz IDBKBDSHHUSPAZ-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCC2)[C@H](C)C1 ZINC000347414052 218227303 /nfs/dbraw/zinc/22/73/03/218227303.db2.gz OCZCYDJKFBITQF-HUUCEWRRSA-N 2 1 268.445 2.249 20 0 CEADMP CCCn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000300046091 379152640 /nfs/dbraw/zinc/15/26/40/379152640.db2.gz VXQICFONHVKAAY-CABCVRRESA-N 2 1 262.401 2.010 20 0 CEADMP CCCn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000300046091 379152648 /nfs/dbraw/zinc/15/26/48/379152648.db2.gz VXQICFONHVKAAY-CABCVRRESA-N 2 1 262.401 2.010 20 0 CEADMP Cc1nc(CNC[C@@H]2[N@@H+](C)CCCC2(C)C)[nH]c1C ZINC000515074169 379186550 /nfs/dbraw/zinc/18/65/50/379186550.db2.gz TXADXLHSAOJCQX-ZDUSSCGKSA-N 2 1 264.417 2.237 20 0 CEADMP Cc1nc(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)[nH]c1C ZINC000515074169 379186556 /nfs/dbraw/zinc/18/65/56/379186556.db2.gz TXADXLHSAOJCQX-ZDUSSCGKSA-N 2 1 264.417 2.237 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCCC1CCOCC1 ZINC000302237198 379342386 /nfs/dbraw/zinc/34/23/86/379342386.db2.gz AWCSUVYQOIQMAJ-ZFWWWQNUSA-N 2 1 254.418 2.252 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000347599242 218286528 /nfs/dbraw/zinc/28/65/28/218286528.db2.gz SWFMPHBTDPNGGP-QGZVFWFLSA-N 2 1 298.471 2.093 20 0 CEADMP C[C@@H](C[NH2+]Cc1ccc2nc[nH]c2c1)C[NH+]1CCCC1 ZINC000521826522 379542831 /nfs/dbraw/zinc/54/28/31/379542831.db2.gz DXDAZWNECIBYAD-ZDUSSCGKSA-N 2 1 272.396 2.384 20 0 CEADMP CCCCOC(=O)[C@@H](C)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266953116 190293189 /nfs/dbraw/zinc/29/31/89/190293189.db2.gz USZOOKVUZJRFTF-CHWSQXEVSA-N 2 1 279.384 2.321 20 0 CEADMP CC[C@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000181123675 542270676 /nfs/dbraw/zinc/27/06/76/542270676.db2.gz AQPUMGQGJLQIHR-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H]1CC=CCC1 ZINC000305219128 379689510 /nfs/dbraw/zinc/68/95/10/379689510.db2.gz UPHKRMXDTCBYEL-HZPDHXFCSA-N 2 1 266.429 2.169 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(CC)(CC)CCO)[C@H](C)C1 ZINC000305174537 379671397 /nfs/dbraw/zinc/67/13/97/379671397.db2.gz VBRWWXXDZBIBIX-CABCVRRESA-N 2 1 270.461 2.495 20 0 CEADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]CC1(F)CC1 ZINC000527526371 379765866 /nfs/dbraw/zinc/76/58/66/379765866.db2.gz YDWZNNBXWJEWSR-INIZCTEOSA-N 2 1 292.398 2.235 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1CC[NH+]1C1CCCC1 ZINC000528013545 379875721 /nfs/dbraw/zinc/87/57/21/379875721.db2.gz SIUWOSHEPJGUEE-MUIFIZLQSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528013545 379875724 /nfs/dbraw/zinc/87/57/24/379875724.db2.gz SIUWOSHEPJGUEE-MUIFIZLQSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528013545 379875728 /nfs/dbraw/zinc/87/57/28/379875728.db2.gz SIUWOSHEPJGUEE-MUIFIZLQSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000528013545 379875732 /nfs/dbraw/zinc/87/57/32/379875732.db2.gz SIUWOSHEPJGUEE-MUIFIZLQSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000528013545 379875734 /nfs/dbraw/zinc/87/57/34/379875734.db2.gz SIUWOSHEPJGUEE-MUIFIZLQSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[C@H](N(C)Cc2ncc(C[NH+](C)C)s2)CC[N@@H+]1C ZINC000347888564 218390449 /nfs/dbraw/zinc/39/04/49/218390449.db2.gz WEMYYSLTEXLAPV-CHWSQXEVSA-N 2 1 296.484 2.119 20 0 CEADMP C[C@@H]1C[C@H](N(C)Cc2ncc(C[NH+](C)C)s2)CC[N@H+]1C ZINC000347888564 218390451 /nfs/dbraw/zinc/39/04/51/218390451.db2.gz WEMYYSLTEXLAPV-CHWSQXEVSA-N 2 1 296.484 2.119 20 0 CEADMP C[NH+]1CCN(C(=O)CC[NH2+]CCCC2CCCCC2)CC1 ZINC000348025135 218431161 /nfs/dbraw/zinc/43/11/61/218431161.db2.gz SIEBMAOOFRQPMS-UHFFFAOYSA-N 2 1 295.471 2.101 20 0 CEADMP Cc1nc2c(c(N[C@H]3CC[N@H+](C4CC4)C3)n1)CCCC2 ZINC000542948818 380325747 /nfs/dbraw/zinc/32/57/47/380325747.db2.gz CBQLSZLUONBWNQ-LBPRGKRZSA-N 2 1 272.396 2.312 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334351664 380287644 /nfs/dbraw/zinc/28/76/44/380287644.db2.gz GMGXXZGLCQGMMK-QGZVFWFLSA-N 2 1 273.424 2.328 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000491848349 380359841 /nfs/dbraw/zinc/35/98/41/380359841.db2.gz NHYUTMOHLMVARK-BQYQJAHWSA-N 2 1 295.471 2.075 20 0 CEADMP Cc1c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cnn1C ZINC000334452574 380431812 /nfs/dbraw/zinc/43/18/12/380431812.db2.gz YSUAJQYJLZAZMM-RHSMWYFYSA-N 2 1 288.439 2.177 20 0 CEADMP CC[C@@H]1CC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000348114600 218464330 /nfs/dbraw/zinc/46/43/30/218464330.db2.gz SYZFHIJUHUTHGF-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000548448534 380520333 /nfs/dbraw/zinc/52/03/33/380520333.db2.gz SPSRVSMUXIHFKZ-CQSZACIVSA-N 2 1 297.487 2.486 20 0 CEADMP C[C@@H]1[C@H](C)N(C(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000548392684 380509464 /nfs/dbraw/zinc/50/94/64/380509464.db2.gz GSEXFZQFYAUAIJ-CABCVRRESA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1[C@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000548392684 380509469 /nfs/dbraw/zinc/50/94/69/380509469.db2.gz GSEXFZQFYAUAIJ-CABCVRRESA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1[C@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000548392684 380509473 /nfs/dbraw/zinc/50/94/73/380509473.db2.gz GSEXFZQFYAUAIJ-CABCVRRESA-N 2 1 295.471 2.192 20 0 CEADMP Oc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000334566052 380605164 /nfs/dbraw/zinc/60/51/64/380605164.db2.gz XGOWALZLINEYNO-CQSZACIVSA-N 2 1 272.392 2.076 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCCNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000492772863 380684206 /nfs/dbraw/zinc/68/42/06/380684206.db2.gz RNVQENNXNDVKTD-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCCNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000492772863 380684210 /nfs/dbraw/zinc/68/42/10/380684210.db2.gz RNVQENNXNDVKTD-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCCNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000492772863 380684214 /nfs/dbraw/zinc/68/42/14/380684214.db2.gz RNVQENNXNDVKTD-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCCNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000492772863 380684217 /nfs/dbraw/zinc/68/42/17/380684217.db2.gz RNVQENNXNDVKTD-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP CC[C@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000552820149 380713704 /nfs/dbraw/zinc/71/37/04/380713704.db2.gz AIEPDQONUHLSIF-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+](CCCNC(=O)/C=C/c1ncc[nH]1)Cc1ccccc1 ZINC000493072435 380786268 /nfs/dbraw/zinc/78/62/68/380786268.db2.gz QGSCPEIZXLTXAF-CMDGGOBGSA-N 2 1 298.390 2.061 20 0 CEADMP Cc1cnccc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000556145193 380873296 /nfs/dbraw/zinc/87/32/96/380873296.db2.gz HDVWIOPBRMBYBR-MRXNPFEDSA-N 2 1 269.348 2.438 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)n21 ZINC000334818755 207129712 /nfs/dbraw/zinc/12/97/12/207129712.db2.gz DMRSOPUYKXQPEF-GXTWGEPZSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1cccc2ncc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)n21 ZINC000334818755 207129717 /nfs/dbraw/zinc/12/97/17/207129717.db2.gz DMRSOPUYKXQPEF-GXTWGEPZSA-N 2 1 272.396 2.059 20 0 CEADMP c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000335032453 207507761 /nfs/dbraw/zinc/50/77/61/207507761.db2.gz YTHAVIAIGCRSFV-YPMHNXCESA-N 2 1 266.410 2.094 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000335220554 207954092 /nfs/dbraw/zinc/95/40/92/207954092.db2.gz VHSGLJWXQARXEK-IINYFYTJSA-N 2 1 254.324 2.443 20 0 CEADMP Cc1ccc(F)c(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000335255449 208036617 /nfs/dbraw/zinc/03/66/17/208036617.db2.gz LLNMTYYMAABSLP-HNNXBMFYSA-N 2 1 292.398 2.321 20 0 CEADMP CCc1nc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000335269033 208067424 /nfs/dbraw/zinc/06/74/24/208067424.db2.gz IAFWCDKUEQAVRW-TXEJJXNPSA-N 2 1 265.426 2.137 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289411894 197334225 /nfs/dbraw/zinc/33/42/25/197334225.db2.gz HYGYUNVSLFRZEY-QGTPRVQTSA-N 2 1 288.435 2.258 20 0 CEADMP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCO[C@H](C)C2)C1 ZINC000389005619 542372724 /nfs/dbraw/zinc/37/27/24/542372724.db2.gz IZSIDXHDSOGQMH-QLFBSQMISA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCO[C@H](C)C2)C1 ZINC000389005619 542372728 /nfs/dbraw/zinc/37/27/28/542372728.db2.gz IZSIDXHDSOGQMH-QLFBSQMISA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)CC[NH2+]1 ZINC000414730826 297399293 /nfs/dbraw/zinc/39/92/93/297399293.db2.gz BBGRFPLSLLHSET-FDYHWXHSSA-N 2 1 294.361 2.152 20 0 CEADMP O[C@@H]1c2ccccc2C[C@H]1[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000305729005 285339571 /nfs/dbraw/zinc/33/95/71/285339571.db2.gz SUEKFKTXCXTLDW-QZTJIDSGSA-N 2 1 286.419 2.205 20 0 CEADMP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000249150091 285352851 /nfs/dbraw/zinc/35/28/51/285352851.db2.gz XMIIZYHQLMTYPA-DOTOQJQBSA-N 2 1 280.456 2.345 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000281824720 195397416 /nfs/dbraw/zinc/39/74/16/195397416.db2.gz XEHFKJMDDUNUMF-SFHVURJKSA-N 2 1 299.418 2.395 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@@H]([NH3+])CC(C)C)C[C@@H]1C ZINC000414749587 285396098 /nfs/dbraw/zinc/39/60/98/285396098.db2.gz YJNUFLAVFPOMNT-KKUMJFAQSA-N 2 1 255.450 2.164 20 0 CEADMP CSC1(CNc2nc(C)[nH+]c(C)c2C)CC[NH+](C)CC1 ZINC000357587750 533482690 /nfs/dbraw/zinc/48/26/90/533482690.db2.gz VGHPHWHGNFERGL-UHFFFAOYSA-N 2 1 294.468 2.063 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342088512 130302964 /nfs/dbraw/zinc/30/29/64/130302964.db2.gz RAWMCNONRWGMLX-CWRNSKLLSA-N 2 1 273.424 2.312 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000300413150 394456186 /nfs/dbraw/zinc/45/61/86/394456186.db2.gz YUVPHNJOODXXAU-NWANDNLSSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000300413150 394456190 /nfs/dbraw/zinc/45/61/90/394456190.db2.gz YUVPHNJOODXXAU-NWANDNLSSA-N 2 1 252.402 2.018 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)CC(C)C)C2)CC1 ZINC000355684816 394500841 /nfs/dbraw/zinc/50/08/41/394500841.db2.gz VIUKRRDKRLQHCZ-HOTGVXAUSA-N 2 1 267.461 2.133 20 0 CEADMP Cc1c(Cl)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)nn1C ZINC000421383013 394519880 /nfs/dbraw/zinc/51/98/80/394519880.db2.gz JOBHOLBCNRKMMZ-UHFFFAOYSA-N 2 1 296.846 2.346 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247109627 394527125 /nfs/dbraw/zinc/52/71/25/394527125.db2.gz AAQLMPNDHXHGCZ-YHUYYLMFSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247109627 394527129 /nfs/dbraw/zinc/52/71/29/394527129.db2.gz AAQLMPNDHXHGCZ-YHUYYLMFSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247109627 394527133 /nfs/dbraw/zinc/52/71/33/394527133.db2.gz AAQLMPNDHXHGCZ-YHUYYLMFSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247109627 394527137 /nfs/dbraw/zinc/52/71/37/394527137.db2.gz AAQLMPNDHXHGCZ-YHUYYLMFSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000309568770 394531387 /nfs/dbraw/zinc/53/13/87/394531387.db2.gz IHGAIIVVPSEXKH-OALUTQOASA-N 2 1 298.430 2.439 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309980289 394534516 /nfs/dbraw/zinc/53/45/16/394534516.db2.gz UPGQWEVLYRQXPG-RDJZCZTQSA-N 3 1 275.440 2.226 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309980289 394534518 /nfs/dbraw/zinc/53/45/18/394534518.db2.gz UPGQWEVLYRQXPG-RDJZCZTQSA-N 2 1 275.440 2.226 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCC1 ZINC000247962020 394536334 /nfs/dbraw/zinc/53/63/34/394536334.db2.gz GJIHYYFXVWBOEQ-ZFWWWQNUSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000356129503 394546114 /nfs/dbraw/zinc/54/61/14/394546114.db2.gz CGLCRIWYZLWAQN-AWEZNQCLSA-N 2 1 299.422 2.073 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000356129503 394546116 /nfs/dbraw/zinc/54/61/16/394546116.db2.gz CGLCRIWYZLWAQN-AWEZNQCLSA-N 2 1 299.422 2.073 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2c[nH]c3nccnc23)C1 ZINC000356129503 394546119 /nfs/dbraw/zinc/54/61/19/394546119.db2.gz CGLCRIWYZLWAQN-AWEZNQCLSA-N 2 1 299.422 2.073 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2c[nH]c3nccnc23)C1 ZINC000356129503 394546121 /nfs/dbraw/zinc/54/61/21/394546121.db2.gz CGLCRIWYZLWAQN-AWEZNQCLSA-N 2 1 299.422 2.073 20 0 CEADMP c1ccc(CN2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000323780955 394549615 /nfs/dbraw/zinc/54/96/15/394549615.db2.gz DGWUBZKNWHNQIW-KRWDZBQOSA-N 2 1 287.451 2.194 20 0 CEADMP COC1([C@H](C)[NH2+]CCn2cc[nH+]c2C)CCCC1 ZINC000421826304 394606426 /nfs/dbraw/zinc/60/64/26/394606426.db2.gz RUGHXRYPBZRIPJ-LBPRGKRZSA-N 2 1 251.374 2.129 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000356782651 394612016 /nfs/dbraw/zinc/61/20/16/394612016.db2.gz TWMVQSOCMBAXIT-CABCVRRESA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000356793263 394615932 /nfs/dbraw/zinc/61/59/32/394615932.db2.gz WFHOYHOWXUTREY-ZBFHGGJFSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000356793263 394615936 /nfs/dbraw/zinc/61/59/36/394615936.db2.gz WFHOYHOWXUTREY-ZBFHGGJFSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000356793263 394615940 /nfs/dbraw/zinc/61/59/40/394615940.db2.gz WFHOYHOWXUTREY-ZBFHGGJFSA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000421862128 394620166 /nfs/dbraw/zinc/62/01/66/394620166.db2.gz UZFZGDRPQJLLRK-QGZVFWFLSA-N 2 1 294.414 2.193 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C1C[NH2+]C1 ZINC000422706048 394729837 /nfs/dbraw/zinc/72/98/37/394729837.db2.gz SSNCLFKFDDHVAT-QWHCGFSZSA-N 2 1 287.407 2.072 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422708819 394731774 /nfs/dbraw/zinc/73/17/74/394731774.db2.gz JKZVYZHCAZLMJP-HZPDHXFCSA-N 2 1 261.413 2.453 20 0 CEADMP C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000422710260 394732958 /nfs/dbraw/zinc/73/29/58/394732958.db2.gz FNFJKMBGSDGZIF-IPYPFGDCSA-N 2 1 293.480 2.225 20 0 CEADMP C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000422710260 394732961 /nfs/dbraw/zinc/73/29/61/394732961.db2.gz FNFJKMBGSDGZIF-IPYPFGDCSA-N 2 1 293.480 2.225 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000335069967 394733582 /nfs/dbraw/zinc/73/35/82/394733582.db2.gz OFQUKYBZEKVSRP-SDEQNOSCSA-N 2 1 291.483 2.070 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000414249218 394739574 /nfs/dbraw/zinc/73/95/74/394739574.db2.gz WXYKCMOZACCWDQ-DHMWGJHJSA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000414249218 394739578 /nfs/dbraw/zinc/73/95/78/394739578.db2.gz WXYKCMOZACCWDQ-DHMWGJHJSA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000414249221 394739618 /nfs/dbraw/zinc/73/96/18/394739618.db2.gz WXYKCMOZACCWDQ-VIRABCJISA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000414249221 394739621 /nfs/dbraw/zinc/73/96/21/394739621.db2.gz WXYKCMOZACCWDQ-VIRABCJISA-N 2 1 254.418 2.262 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414331092 394742247 /nfs/dbraw/zinc/74/22/47/394742247.db2.gz JYNBCLQVVGXICA-UKRRQHHQSA-N 2 1 261.413 2.289 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414066527 394692600 /nfs/dbraw/zinc/69/26/00/394692600.db2.gz HCGMQTFUGYOCMQ-STQMWFEESA-N 2 1 287.411 2.321 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000414096214 394701509 /nfs/dbraw/zinc/70/15/09/394701509.db2.gz HOVKMVFFLHLCNP-YDHLFZDLSA-N 2 1 277.412 2.094 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000414096214 394701512 /nfs/dbraw/zinc/70/15/12/394701512.db2.gz HOVKMVFFLHLCNP-YDHLFZDLSA-N 2 1 277.412 2.094 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000357542923 394701575 /nfs/dbraw/zinc/70/15/75/394701575.db2.gz CEKLMIPLUQJPMR-AWEZNQCLSA-N 2 1 291.443 2.029 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000357542923 394701578 /nfs/dbraw/zinc/70/15/78/394701578.db2.gz CEKLMIPLUQJPMR-AWEZNQCLSA-N 2 1 291.443 2.029 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cn1 ZINC000422563823 394712957 /nfs/dbraw/zinc/71/29/57/394712957.db2.gz UNBHKKBDLCEQAG-YCPHGPKFSA-N 2 1 278.444 2.344 20 0 CEADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NCC[NH+]3CCC3)CC2)C1 ZINC000358339694 394718638 /nfs/dbraw/zinc/71/86/38/394718638.db2.gz JUKMCCUROGYOCJ-WBVHZDCISA-N 2 1 279.472 2.325 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cn1 ZINC000414155051 394719279 /nfs/dbraw/zinc/71/92/79/394719279.db2.gz UWMKEBKYQXGQOS-CQSZACIVSA-N 2 1 291.439 2.485 20 0 CEADMP CC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1nccn1C ZINC000414163280 394720349 /nfs/dbraw/zinc/72/03/49/394720349.db2.gz FWVIGPKBVNIEAR-AWEZNQCLSA-N 2 1 269.352 2.309 20 0 CEADMP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422641615 394723342 /nfs/dbraw/zinc/72/33/42/394723342.db2.gz YBRINNCXUWLIIW-QXSJWSMHSA-N 2 1 297.487 2.185 20 0 CEADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422641615 394723347 /nfs/dbraw/zinc/72/33/47/394723347.db2.gz YBRINNCXUWLIIW-QXSJWSMHSA-N 2 1 297.487 2.185 20 0 CEADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000358567268 394724405 /nfs/dbraw/zinc/72/44/05/394724405.db2.gz PRTNEAMYNSMZPX-FZKCQIBNSA-N 2 1 297.487 2.055 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN1CCC[N@H+](C2CCCC2)CC1 ZINC000414694556 394748032 /nfs/dbraw/zinc/74/80/32/394748032.db2.gz OBZRGVVWRPYZQQ-OAHLLOKOSA-N 2 1 267.461 2.310 20 0 CEADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422698418 394725300 /nfs/dbraw/zinc/72/53/00/394725300.db2.gz ZFHNGVASIUSIRS-DLBZAZTESA-N 3 1 275.440 2.498 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)[C@H]2CCC[C@@H]21 ZINC000414189043 394725942 /nfs/dbraw/zinc/72/59/42/394725942.db2.gz QWYDWRUWKBJNIC-IKGGRYGDSA-N 3 1 284.407 2.297 20 0 CEADMP C(CC[NH2+][C@H]1CC[NH2+]C1)CCOC1CCCCC1 ZINC000422702183 394727128 /nfs/dbraw/zinc/72/71/28/394727128.db2.gz DJHKTQGHAGZBMK-AWEZNQCLSA-N 2 1 254.418 2.458 20 0 CEADMP [NH3+]CCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000414758879 394750611 /nfs/dbraw/zinc/75/06/11/394750611.db2.gz DHQRXMRMBZQOIN-JTQLQIEISA-N 2 1 250.308 2.390 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000422740969 394751699 /nfs/dbraw/zinc/75/16/99/394751699.db2.gz OMUFHXVRBDJVBG-NVXWUHKLSA-N 2 1 275.440 2.491 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422744384 394754282 /nfs/dbraw/zinc/75/42/82/394754282.db2.gz SSAMYUGYLQWAEA-BBWFWOEESA-N 2 1 273.424 2.120 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000422744384 394754284 /nfs/dbraw/zinc/75/42/84/394754284.db2.gz SSAMYUGYLQWAEA-BBWFWOEESA-N 2 1 273.424 2.120 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422746401 394755367 /nfs/dbraw/zinc/75/53/67/394755367.db2.gz WJIKOVHZIQRYEK-BZUAXINKSA-N 3 1 267.461 2.214 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422746401 394755370 /nfs/dbraw/zinc/75/53/70/394755370.db2.gz WJIKOVHZIQRYEK-BZUAXINKSA-N 2 1 267.461 2.214 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422746401 394755372 /nfs/dbraw/zinc/75/53/72/394755372.db2.gz WJIKOVHZIQRYEK-BZUAXINKSA-N 2 1 267.461 2.214 20 0 CEADMP CC[NH2+]CCN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414835509 394761226 /nfs/dbraw/zinc/76/12/26/394761226.db2.gz UXDBDDARYMYMRK-ZBFHGGJFSA-N 2 1 261.413 2.021 20 0 CEADMP C[C@@H](NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422758120 394762789 /nfs/dbraw/zinc/76/27/89/394762789.db2.gz KHXFZBKZJPPMMB-QXSJWSMHSA-N 2 1 281.488 2.473 20 0 CEADMP CC(C)c1ncc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000414960426 394826273 /nfs/dbraw/zinc/82/62/73/394826273.db2.gz QSMBYUFCVXKRFJ-JQWIXIFHSA-N 2 1 253.415 2.354 20 0 CEADMP C[C@H]([NH2+]CCN1c2ccccc2C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422759875 394764154 /nfs/dbraw/zinc/76/41/54/394764154.db2.gz KHJUMLIHVPHYNE-YCPHGPKFSA-N 2 1 273.424 2.168 20 0 CEADMP CC(C)N(C)C(=O)C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000119172342 394765320 /nfs/dbraw/zinc/76/53/20/394765320.db2.gz RPDMBROKTFTLJQ-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCN(c2nccs2)CC1 ZINC000414853108 394771125 /nfs/dbraw/zinc/77/11/25/394771125.db2.gz RUTFEQLOUJRKCK-ZDUSSCGKSA-N 2 1 282.457 2.075 20 0 CEADMP Fc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422769173 394771226 /nfs/dbraw/zinc/77/12/26/394771226.db2.gz USYUETMIBAFPJU-VNQPRFMTSA-N 2 1 278.371 2.072 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422840425 394823404 /nfs/dbraw/zinc/82/34/04/394823404.db2.gz SWMPRYKYXJFRKF-BDJLRTHQSA-N 2 1 275.371 2.437 20 0 CEADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1C[NH2+]C1)CCCO2 ZINC000335551225 394774937 /nfs/dbraw/zinc/77/49/37/394774937.db2.gz CFXVOWVWDYTLAU-HNNXBMFYSA-N 2 1 260.381 2.326 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000359765759 394775677 /nfs/dbraw/zinc/77/56/77/394775677.db2.gz HPCNLGQFSLNMDA-CRAIPNDOSA-N 2 1 298.434 2.361 20 0 CEADMP FC(F)(F)c1ncc(C[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000414861727 394775779 /nfs/dbraw/zinc/77/57/79/394775779.db2.gz WPXFDHPHCAYVJM-MRVPVSSYSA-N 2 1 279.331 2.251 20 0 CEADMP COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422779121 394778559 /nfs/dbraw/zinc/77/85/59/394778559.db2.gz BLEWJRDNIJFPNW-MELADBBJSA-N 2 1 278.396 2.193 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)Oc1ccc(F)cc1 ZINC000422779525 394778768 /nfs/dbraw/zinc/77/87/68/394778768.db2.gz BWOOZUOAXKTFFA-TYNCELHUSA-N 2 1 266.360 2.323 20 0 CEADMP CC[C@@H](NCCC1CC[NH+](CC)CC1)[C@@H]1CCC[NH2+]1 ZINC000422780112 394779838 /nfs/dbraw/zinc/77/98/38/394779838.db2.gz GWGVCPYNMSRPOU-CVEARBPZSA-N 2 1 267.461 2.229 20 0 CEADMP CCOc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1OC ZINC000414877224 394782811 /nfs/dbraw/zinc/78/28/11/394782811.db2.gz FRVDMBGMNSGTBK-UHFFFAOYSA-N 2 1 264.369 2.065 20 0 CEADMP C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422785966 394783929 /nfs/dbraw/zinc/78/39/29/394783929.db2.gz PWNKAXBJZNPSKH-HYVNUMGLSA-N 2 1 276.424 2.273 20 0 CEADMP c1cncc(C[NH2+]CCC[NH2+]Cc2cccc3c2NCC3)c1 ZINC000414879033 394784147 /nfs/dbraw/zinc/78/41/47/394784147.db2.gz OKBWMOIVGJBOKZ-UHFFFAOYSA-N 2 1 296.418 2.319 20 0 CEADMP CCN(CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422787854 394786168 /nfs/dbraw/zinc/78/61/68/394786168.db2.gz QPTNLUUQWNDRSD-DOTOQJQBSA-N 2 1 275.440 2.491 20 0 CEADMP C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)C1C[NH2+]C1 ZINC000422789021 394787089 /nfs/dbraw/zinc/78/70/89/394787089.db2.gz SVGDMMIRDJVTEJ-UVBJJODRSA-N 2 1 278.371 2.243 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000422790269 394787773 /nfs/dbraw/zinc/78/77/73/394787773.db2.gz XMWNODFCGWHKLZ-RISCZKNCSA-N 2 1 252.789 2.470 20 0 CEADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1OC(F)F ZINC000414889700 394790352 /nfs/dbraw/zinc/79/03/52/394790352.db2.gz GMORDETUCXUEHS-LLVKDONJSA-N 2 1 286.322 2.124 20 0 CEADMP COc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1OC(C)C ZINC000414888388 394790658 /nfs/dbraw/zinc/79/06/58/394790658.db2.gz RISYIIGRBBWPKM-UHFFFAOYSA-N 2 1 278.396 2.453 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000422794560 394791313 /nfs/dbraw/zinc/79/13/13/394791313.db2.gz ZASCXVGZDKYDKP-AWEZNQCLSA-N 3 1 290.455 2.375 20 0 CEADMP COc1cccc(O[C@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422796911 394793809 /nfs/dbraw/zinc/79/38/09/394793809.db2.gz ZJEJNURMDWEPQT-IOASZLSFSA-N 2 1 278.396 2.193 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]([NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000414895592 394793954 /nfs/dbraw/zinc/79/39/54/394793954.db2.gz YAIZFUXDNHEHBA-ZTFGCOKTSA-N 2 1 287.451 2.366 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1ccc(Oc2cnccn2)cc1)C1CC1 ZINC000414897818 394794632 /nfs/dbraw/zinc/79/46/32/394794632.db2.gz SAGZVPMQTNXDPT-OAHLLOKOSA-N 2 1 284.363 2.096 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H](C)CCC[NH3+])[NH+]1CCC(C)CC1 ZINC000422842234 394824646 /nfs/dbraw/zinc/82/46/46/394824646.db2.gz FLVTUUXSTUUQLD-CVEARBPZSA-N 3 1 269.477 2.460 20 0 CEADMP CCCn1nc(C)c(C[NH2+]CC[C@H]2CCC[NH2+]2)c1C ZINC000414900178 394795986 /nfs/dbraw/zinc/79/59/86/394795986.db2.gz DESIAYDQVWXNNB-CQSZACIVSA-N 2 1 264.417 2.142 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])[nH]c2c1 ZINC000422802446 394798179 /nfs/dbraw/zinc/79/81/79/394798179.db2.gz BLJKEGBCEYRGCR-STQMWFEESA-N 2 1 272.396 2.478 20 0 CEADMP C[C@H](NCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422803223 394798219 /nfs/dbraw/zinc/79/82/19/394798219.db2.gz IOCYNZCYYPPJMN-MAUKXSAKSA-N 2 1 287.451 2.165 20 0 CEADMP COC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121622600 394801952 /nfs/dbraw/zinc/80/19/52/394801952.db2.gz COKZAMWONBHCLU-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1OC(F)F ZINC000422814544 394806411 /nfs/dbraw/zinc/80/64/11/394806411.db2.gz VIMJSEHWIWXNME-MNOVXSKESA-N 2 1 286.322 2.266 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000414928201 394806992 /nfs/dbraw/zinc/80/69/92/394806992.db2.gz MQGRWQGATZTYLA-SRCQZFHVSA-N 2 1 274.408 2.140 20 0 CEADMP C[C@H](NCC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422816977 394808665 /nfs/dbraw/zinc/80/86/65/394808665.db2.gz GNIIQGZPGCQRQL-YOEHRIQHSA-N 2 1 293.430 2.378 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nccn2Cc2ccccc2)C1 ZINC000414932358 394809921 /nfs/dbraw/zinc/80/99/21/394809921.db2.gz VOQQSOVPJNRQGV-HZPDHXFCSA-N 2 1 284.407 2.291 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422820558 394810305 /nfs/dbraw/zinc/81/03/05/394810305.db2.gz RFRMXARZNOCFGV-ZBFHGGJFSA-N 3 1 267.461 2.085 20 0 CEADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(N2CCCC2)n1 ZINC000422820393 394810520 /nfs/dbraw/zinc/81/05/20/394810520.db2.gz QIWGPFUAHYQWSN-XYPWUTKMSA-N 2 1 286.423 2.054 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)n[nH]2)CC[NH2+]1 ZINC000414939871 394813098 /nfs/dbraw/zinc/81/30/98/394813098.db2.gz BGVHJXRBXISTBX-TZMCWYRMSA-N 2 1 270.380 2.307 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]1 ZINC000422822579 394813090 /nfs/dbraw/zinc/81/30/90/394813090.db2.gz KDPLNHOQZOSUHZ-GXTWGEPZSA-N 2 1 290.407 2.423 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2ccc(F)cc2)CC[NH2+]1 ZINC000414940477 394813263 /nfs/dbraw/zinc/81/32/63/394813263.db2.gz BOCINLPMCPFOPA-OCCSQVGLSA-N 2 1 288.370 2.242 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414940305 394813345 /nfs/dbraw/zinc/81/33/45/394813345.db2.gz XOBKZKWMAJNZIP-CJNGLKHVSA-N 2 1 274.408 2.142 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414942004 394814273 /nfs/dbraw/zinc/81/42/73/394814273.db2.gz DGYTXTLRIAGDRS-SMDDNHRTSA-N 2 1 278.444 2.485 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCOc1ccccc1 ZINC000414941746 394814360 /nfs/dbraw/zinc/81/43/60/394814360.db2.gz YVGZLTBGBRHJQA-HOCLYGCPSA-N 2 1 262.397 2.433 20 0 CEADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H](C)C[NH3+] ZINC000414944081 394815213 /nfs/dbraw/zinc/81/52/13/394815213.db2.gz NGEFYDDPNREVBQ-BDAKNGLRSA-N 2 1 289.192 2.456 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000414947812 394817598 /nfs/dbraw/zinc/81/75/98/394817598.db2.gz XAWHAEOZFCLJLO-AHCXZYCDSA-N 2 1 287.451 2.410 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000414947812 394817600 /nfs/dbraw/zinc/81/76/00/394817600.db2.gz XAWHAEOZFCLJLO-AHCXZYCDSA-N 2 1 287.451 2.410 20 0 CEADMP CC1([NH2+]Cc2cnc(-c3ccccn3)s2)CC[NH2+]CC1 ZINC000414948455 394818085 /nfs/dbraw/zinc/81/80/85/394818085.db2.gz YIKMMFJRTCQZNH-UHFFFAOYSA-N 2 1 288.420 2.437 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(CO)c1 ZINC000422739283 394750398 /nfs/dbraw/zinc/75/03/98/394750398.db2.gz KYOOBAOQDITLTD-KSSFIOAISA-N 2 1 284.403 2.227 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CC2(COC)CCC2)CC1 ZINC000361317934 394821996 /nfs/dbraw/zinc/82/19/96/394821996.db2.gz FNIRIAHAPZAQFC-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CC2(COC)CCC2)CC1 ZINC000361317934 394822002 /nfs/dbraw/zinc/82/20/02/394822002.db2.gz FNIRIAHAPZAQFC-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC(F)(F)F ZINC000422919719 394862950 /nfs/dbraw/zinc/86/29/50/394862950.db2.gz KETQEHJDZAJBSK-ZYHUDNBSSA-N 2 1 260.303 2.487 20 0 CEADMP COc1cccc2c1CC[C@@H]([N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)C2 ZINC000415056331 394867640 /nfs/dbraw/zinc/86/76/40/394867640.db2.gz NXWGLEXYJSJXKL-DDUZABMNSA-N 2 1 288.435 2.469 20 0 CEADMP C(C[N@H+]1CCCC2(CCOCC2)C1)C1CC[NH2+]CC1 ZINC000336607727 394868499 /nfs/dbraw/zinc/86/84/99/394868499.db2.gz HDGKKAOZIQULHH-UHFFFAOYSA-N 2 1 266.429 2.269 20 0 CEADMP C([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CCCCC1 ZINC000415062174 394869330 /nfs/dbraw/zinc/86/93/30/394869330.db2.gz ZYTVIPBBXSBKHJ-UHFFFAOYSA-N 2 1 279.472 2.373 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000129605214 394869433 /nfs/dbraw/zinc/86/94/33/394869433.db2.gz VZDLXMCNVYOEAK-ZFWWWQNUSA-N 3 1 267.461 2.179 20 0 CEADMP C[NH+]1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415061525 394869397 /nfs/dbraw/zinc/86/93/97/394869397.db2.gz YIUBYGWMUXDAMT-MRXNPFEDSA-N 3 1 261.413 2.150 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000422968418 394869892 /nfs/dbraw/zinc/86/98/92/394869892.db2.gz WUIPYDUBAUKARW-BFHYXJOUSA-N 2 1 265.401 2.132 20 0 CEADMP CCCCCOc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000415062882 394870906 /nfs/dbraw/zinc/87/09/06/394870906.db2.gz ZNDNLOIESUIIQC-OAHLLOKOSA-N 2 1 280.412 2.007 20 0 CEADMP CCCCCOc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000415062882 394870910 /nfs/dbraw/zinc/87/09/10/394870910.db2.gz ZNDNLOIESUIIQC-OAHLLOKOSA-N 2 1 280.412 2.007 20 0 CEADMP CCCOc1ncccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422971833 394871377 /nfs/dbraw/zinc/87/13/77/394871377.db2.gz JVKZYVSQISFTHZ-NEPJUHHUSA-N 2 1 251.374 2.086 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000362975411 394871969 /nfs/dbraw/zinc/87/19/69/394871969.db2.gz FOLJRPYRLBAAQH-YJNKXOJESA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[NH+](CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000129677316 394871939 /nfs/dbraw/zinc/87/19/39/394871939.db2.gz OBNPVMBZZSQGRV-HUUCEWRRSA-N 2 1 255.450 2.178 20 0 CEADMP CC(C)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000336803655 394874586 /nfs/dbraw/zinc/87/45/86/394874586.db2.gz ZEAVFTRLUOPFGI-IYBDPMFKSA-N 2 1 267.461 2.133 20 0 CEADMP Cc1ccc(-c2cccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c2)cc1 ZINC000415073453 394875473 /nfs/dbraw/zinc/87/54/73/394875473.db2.gz YMDDFAKNXZUOKW-SFHVURJKSA-N 2 1 284.403 2.413 20 0 CEADMP CC[C@@H]([NH2+]CCc1cccc(OC)n1)[C@@H]1CCCC[NH2+]1 ZINC000423010663 394880198 /nfs/dbraw/zinc/88/01/98/394880198.db2.gz YEPXAZHAZPUUFF-CABCVRRESA-N 2 1 277.412 2.143 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000414964290 394828332 /nfs/dbraw/zinc/82/83/32/394828332.db2.gz USPSRHBRZOQDLE-GWCFXTLKSA-N 2 1 296.798 2.199 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414963020 394828374 /nfs/dbraw/zinc/82/83/74/394828374.db2.gz XCPSNLGVCKDXOD-LALPHHSUSA-N 2 1 250.361 2.487 20 0 CEADMP C[C@H](CN[C@@H](C)c1cnccc1N)[N@@H+]1CCCC[C@H]1C ZINC000422852719 394829892 /nfs/dbraw/zinc/82/98/92/394829892.db2.gz BBGPHBFDWKEVOO-MCIONIFRSA-N 2 1 276.428 2.408 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000422854966 394831442 /nfs/dbraw/zinc/83/14/42/394831442.db2.gz BNMWQOFITVSJQE-SQWLQELKSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000278607683 394831689 /nfs/dbraw/zinc/83/16/89/394831689.db2.gz ZWUSEVJODCXHNF-KOZAUXTDSA-N 2 1 280.387 2.177 20 0 CEADMP CCN(CC)c1ncc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)s1 ZINC000414969880 394831766 /nfs/dbraw/zinc/83/17/66/394831766.db2.gz JVCJAJQAODACOY-CYBMUJFWSA-N 2 1 296.484 2.467 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCOCC1 ZINC000361733492 394834973 /nfs/dbraw/zinc/83/49/73/394834973.db2.gz BXMGJHPFYMRWCP-CFVMTHIKSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCOCC1 ZINC000361733492 394834979 /nfs/dbraw/zinc/83/49/79/394834979.db2.gz BXMGJHPFYMRWCP-CFVMTHIKSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1ccc(OCCC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422863211 394835822 /nfs/dbraw/zinc/83/58/22/394835822.db2.gz RGPRMAQZSNHGQR-GDBMZVCRSA-N 2 1 262.397 2.494 20 0 CEADMP C[C@@H]([NH2+]C[C@](C)(CO)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423083409 394885880 /nfs/dbraw/zinc/88/58/80/394885880.db2.gz YUWDUTKHYLIXJL-KBAYOESNSA-N 2 1 290.451 2.348 20 0 CEADMP C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000422866648 394838609 /nfs/dbraw/zinc/83/86/09/394838609.db2.gz QPAJHGOHHDJBSQ-FPCVCCKLSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)N1CCC[C@@H](C)C1 ZINC000422866648 394838612 /nfs/dbraw/zinc/83/86/12/394838612.db2.gz QPAJHGOHHDJBSQ-FPCVCCKLSA-N 2 1 267.461 2.085 20 0 CEADMP COCCOc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422868483 394839864 /nfs/dbraw/zinc/83/98/64/394839864.db2.gz VEPKLAUJABYZCQ-SJORKVTESA-N 2 1 292.423 2.461 20 0 CEADMP C[C@H](O)C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422873010 394841967 /nfs/dbraw/zinc/84/19/67/394841967.db2.gz JLYVAWQMSZPTMY-XJNFMUPTSA-N 2 1 276.424 2.271 20 0 CEADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422876399 394843486 /nfs/dbraw/zinc/84/34/86/394843486.db2.gz FNVQJRMKCDEXTB-ZXDRNQKISA-N 3 1 281.488 2.460 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000279641315 394843722 /nfs/dbraw/zinc/84/37/22/394843722.db2.gz ARNLGZIXJFCSBZ-WBVHZDCISA-N 2 1 294.439 2.321 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422879703 394845589 /nfs/dbraw/zinc/84/55/89/394845589.db2.gz KTLVQRAYDSJQBI-OAGGEKHMSA-N 3 1 267.461 2.358 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422878474 394845889 /nfs/dbraw/zinc/84/58/89/394845889.db2.gz JGJMBIUNUTXEFW-XUWVNRHRSA-N 2 1 267.461 2.071 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422878474 394845891 /nfs/dbraw/zinc/84/58/91/394845891.db2.gz JGJMBIUNUTXEFW-XUWVNRHRSA-N 3 1 267.461 2.071 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422878474 394845893 /nfs/dbraw/zinc/84/58/93/394845893.db2.gz JGJMBIUNUTXEFW-XUWVNRHRSA-N 3 1 267.461 2.071 20 0 CEADMP CCOc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1OCC ZINC000415007608 394846146 /nfs/dbraw/zinc/84/61/46/394846146.db2.gz LRKXYUKXUNBUJR-VXGBXAGGSA-N 2 1 266.385 2.309 20 0 CEADMP COc1cc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc(OC)c1OC ZINC000422880011 394847086 /nfs/dbraw/zinc/84/70/86/394847086.db2.gz LINKWMWRKQZTIK-NSHDSACASA-N 2 1 294.395 2.115 20 0 CEADMP CC[N@@H+](CCN[C@H]1C[C@H]([NH3+])c2ccccc21)C(C)C ZINC000422880536 394847185 /nfs/dbraw/zinc/84/71/85/394847185.db2.gz OHAXJCKTZIWGPF-HOTGVXAUSA-N 2 1 261.413 2.451 20 0 CEADMP CC[N@@H+](CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000422884400 394849160 /nfs/dbraw/zinc/84/91/60/394849160.db2.gz WSJDEJHYBYRTHP-BZUAXINKSA-N 2 1 267.461 2.227 20 0 CEADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000415088292 394883854 /nfs/dbraw/zinc/88/38/54/394883854.db2.gz WGLKVZRHTBGDBV-HZSPNIEDSA-N 2 1 254.418 2.169 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+](C)Cc1ccccc1 ZINC000422911855 394859561 /nfs/dbraw/zinc/85/95/61/394859561.db2.gz UOGIXCQXRUYEIC-NAZJXLNTSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)Cc1ccccc1 ZINC000422911855 394859562 /nfs/dbraw/zinc/85/95/62/394859562.db2.gz UOGIXCQXRUYEIC-NAZJXLNTSA-N 2 1 287.451 2.380 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)ccc1Cl ZINC000415041414 394860744 /nfs/dbraw/zinc/86/07/44/394860744.db2.gz PFJVCHPPZQEBHF-ZDUSSCGKSA-N 2 1 268.788 2.117 20 0 CEADMP c1ccc(OC2CCC2)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000415092251 394886804 /nfs/dbraw/zinc/88/68/04/394886804.db2.gz SKQSZPOQCQVWMX-UHFFFAOYSA-N 2 1 260.381 2.460 20 0 CEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363794749 394887125 /nfs/dbraw/zinc/88/71/25/394887125.db2.gz WUKXOAXUCANPJR-ZQDZILKHSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363794749 394887127 /nfs/dbraw/zinc/88/71/27/394887127.db2.gz WUKXOAXUCANPJR-ZQDZILKHSA-N 2 1 254.418 2.264 20 0 CEADMP COC(=O)C1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000415093962 394887884 /nfs/dbraw/zinc/88/78/84/394887884.db2.gz DACFNMRPTHRHCK-CABCVRRESA-N 2 1 288.391 2.023 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423266991 394889283 /nfs/dbraw/zinc/88/92/83/394889283.db2.gz DNDJLSHWMSGBQH-USXIJHARSA-N 2 1 275.440 2.267 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000423266991 394889286 /nfs/dbraw/zinc/88/92/86/394889286.db2.gz DNDJLSHWMSGBQH-USXIJHARSA-N 2 1 275.440 2.267 20 0 CEADMP CCc1cnc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000130516481 394889554 /nfs/dbraw/zinc/88/95/54/394889554.db2.gz ZJBPGTAIVILWLC-JQWIXIFHSA-N 2 1 253.415 2.135 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccncc1F ZINC000423347746 394896170 /nfs/dbraw/zinc/89/61/70/394896170.db2.gz RYJBDVXIJWBCSE-FZMZJTMJSA-N 2 1 251.349 2.261 20 0 CEADMP CCn1nc(C)c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c1C ZINC000423363973 394901280 /nfs/dbraw/zinc/90/12/80/394901280.db2.gz OLBSINQLJHYBJY-BXUZGUMPSA-N 2 1 264.417 2.313 20 0 CEADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000423365058 394902369 /nfs/dbraw/zinc/90/23/69/394902369.db2.gz PCEIWAOABKYGGB-SWLSCSKDSA-N 2 1 275.396 2.438 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1C[NH3+] ZINC000415138924 394902728 /nfs/dbraw/zinc/90/27/28/394902728.db2.gz ZJBIXRYSQCNXQQ-GDBMZVCRSA-N 2 1 284.407 2.289 20 0 CEADMP CC(C)[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@H](C)[NH3+] ZINC000423377632 394907157 /nfs/dbraw/zinc/90/71/57/394907157.db2.gz VVUVFRYVDHMPCZ-HOCLYGCPSA-N 2 1 295.471 2.083 20 0 CEADMP Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC000133623176 394954382 /nfs/dbraw/zinc/95/43/82/394954382.db2.gz VWRPARZOMBFNIP-KGLIPLIRSA-N 2 1 260.385 2.014 20 0 CEADMP Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000133623176 394954385 /nfs/dbraw/zinc/95/43/85/394954385.db2.gz VWRPARZOMBFNIP-KGLIPLIRSA-N 2 1 260.385 2.014 20 0 CEADMP N[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2ccccc21 ZINC000423421265 394918038 /nfs/dbraw/zinc/91/80/38/394918038.db2.gz JYLUNGYMJURWCT-KFZJALRRSA-N 2 1 273.424 2.486 20 0 CEADMP COC[C@H](C)C[NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000131889461 394921193 /nfs/dbraw/zinc/92/11/93/394921193.db2.gz HNQHINMDWNEXPG-ZNMIVQPWSA-N 2 1 256.434 2.369 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1c2ccccc2CC[C@@H]1CO ZINC000365225868 394922397 /nfs/dbraw/zinc/92/23/97/394922397.db2.gz WMQPRXAJWOGHRJ-JFIYKMOQSA-N 2 1 288.435 2.356 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423479520 394929213 /nfs/dbraw/zinc/92/92/13/394929213.db2.gz VPDPOJPJAODIEB-ZYHUDNBSSA-N 2 1 275.396 2.304 20 0 CEADMP C[C@H]1CCC[N@H+]1C1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000365610088 394929509 /nfs/dbraw/zinc/92/95/09/394929509.db2.gz CCNVTTZAAORRQL-ZDUSSCGKSA-N 2 1 299.422 2.358 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2c1ccc(OC)c2F ZINC000423484629 394931085 /nfs/dbraw/zinc/93/10/85/394931085.db2.gz YQODHGATLPXFNW-CABZTGNLSA-N 2 1 252.333 2.149 20 0 CEADMP C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000338939626 394933359 /nfs/dbraw/zinc/93/33/59/394933359.db2.gz WEKZUWSJIXNCFB-IKGGRYGDSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+](C[C@@H]1CCCO1)[C@@H]1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000338939626 394933364 /nfs/dbraw/zinc/93/33/64/394933364.db2.gz WEKZUWSJIXNCFB-IKGGRYGDSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+](C[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000338939626 394933366 /nfs/dbraw/zinc/93/33/66/394933366.db2.gz WEKZUWSJIXNCFB-IKGGRYGDSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(F)c1 ZINC000423491361 394934362 /nfs/dbraw/zinc/93/43/62/394934362.db2.gz JJMHQUUTZCZRGP-CABCVRRESA-N 2 1 266.360 2.245 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1C ZINC000423500058 394937583 /nfs/dbraw/zinc/93/75/83/394937583.db2.gz CSRQUOMJFHDLAP-GDBMZVCRSA-N 2 1 262.397 2.333 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2[C@H]3CCO[C@H]3C23CCCC3)C[C@@]1(C)C[NH3+] ZINC000423505248 394939660 /nfs/dbraw/zinc/93/96/60/394939660.db2.gz GWRYQCFYVWCWKP-IBEHDNSVSA-N 2 1 278.440 2.251 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc(C)c1F ZINC000423509180 394941844 /nfs/dbraw/zinc/94/18/44/394941844.db2.gz IVEXKTSFIPPNOF-ZFWWWQNUSA-N 2 1 280.387 2.472 20 0 CEADMP CC[NH+](C)CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340195818 394980450 /nfs/dbraw/zinc/98/04/50/394980450.db2.gz HIPMDBLOFXZTBZ-DLBZAZTESA-N 2 1 275.440 2.363 20 0 CEADMP CC[N@@H+](C)CCN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340195822 394980826 /nfs/dbraw/zinc/98/08/26/394980826.db2.gz HIPMDBLOFXZTBZ-IRXDYDNUSA-N 2 1 275.440 2.363 20 0 CEADMP CC[NH+](C)CCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340195822 394980827 /nfs/dbraw/zinc/98/08/27/394980827.db2.gz HIPMDBLOFXZTBZ-IRXDYDNUSA-N 2 1 275.440 2.363 20 0 CEADMP CC[NH+](C)CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340195822 394980829 /nfs/dbraw/zinc/98/08/29/394980829.db2.gz HIPMDBLOFXZTBZ-IRXDYDNUSA-N 2 1 275.440 2.363 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000415929134 394981388 /nfs/dbraw/zinc/98/13/88/394981388.db2.gz ILFVYCXEPOHJLB-WFASDCNBSA-N 2 1 290.411 2.010 20 0 CEADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340249221 394981494 /nfs/dbraw/zinc/98/14/94/394981494.db2.gz FIHHBCQALOMCKN-DJIMGWMZSA-N 2 1 276.424 2.430 20 0 CEADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340249221 394981497 /nfs/dbraw/zinc/98/14/97/394981497.db2.gz FIHHBCQALOMCKN-DJIMGWMZSA-N 2 1 276.424 2.430 20 0 CEADMP CC(C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000340283315 394983074 /nfs/dbraw/zinc/98/30/74/394983074.db2.gz YZYONULVSWXJKA-MRXNPFEDSA-N 2 1 267.461 2.275 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(C2CC2)c1 ZINC000340361795 394984057 /nfs/dbraw/zinc/98/40/57/394984057.db2.gz ZWNNMVYKGBLMLL-DYVFJYSZSA-N 2 1 274.408 2.281 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000340361795 394984060 /nfs/dbraw/zinc/98/40/60/394984060.db2.gz ZWNNMVYKGBLMLL-DYVFJYSZSA-N 2 1 274.408 2.281 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cn[nH]c1 ZINC000340473042 394986024 /nfs/dbraw/zinc/98/60/24/394986024.db2.gz GCAJFWPGWUMXLP-MGPQQGTHSA-N 2 1 264.417 2.428 20 0 CEADMP O=C1Nc2ccccc2[C@@]12CC[N@@H+](CCC[NH+]1CCCC1)C2 ZINC000368789139 394993078 /nfs/dbraw/zinc/99/30/78/394993078.db2.gz DTGJSHSBWMOPDZ-SFHVURJKSA-N 2 1 299.418 2.068 20 0 CEADMP COC[C@H](Cc1ccccc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000339429526 394959902 /nfs/dbraw/zinc/95/99/02/394959902.db2.gz UFGQPDOTGGWPTF-KRWDZBQOSA-N 2 1 276.424 2.176 20 0 CEADMP C[N@H+]1CC[C@H](NCC[NH+]2CCCCCC2)[C@@H]2CCC[C@@H]21 ZINC000367611195 394966711 /nfs/dbraw/zinc/96/67/11/394966711.db2.gz ATVFEFWPOLXRIN-ULQDDVLXSA-N 2 1 279.472 2.325 20 0 CEADMP CC[C@H](C)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367675496 394968034 /nfs/dbraw/zinc/96/80/34/394968034.db2.gz ZQQTTYBBKWQENJ-GOEBONIOSA-N 2 1 267.461 2.133 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1C[NH2+]C ZINC000415914606 394977119 /nfs/dbraw/zinc/97/71/19/394977119.db2.gz WTLIHDZNEMDETL-CYBMUJFWSA-N 2 1 292.427 2.258 20 0 CEADMP CC[N@@H+](C)CCN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340195818 394980445 /nfs/dbraw/zinc/98/04/45/394980445.db2.gz HIPMDBLOFXZTBZ-DLBZAZTESA-N 2 1 275.440 2.363 20 0 CEADMP CC[NH+](C)CCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340195818 394980447 /nfs/dbraw/zinc/98/04/47/394980447.db2.gz HIPMDBLOFXZTBZ-DLBZAZTESA-N 2 1 275.440 2.363 20 0 CEADMP CC[N@H+](C)CCNC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000158752982 395053741 /nfs/dbraw/zinc/05/37/41/395053741.db2.gz FUBZSICCMAMVIQ-UHFFFAOYSA-N 2 1 293.430 2.331 20 0 CEADMP CC[N@@H+](C)CCNC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000158752982 395053743 /nfs/dbraw/zinc/05/37/43/395053743.db2.gz FUBZSICCMAMVIQ-UHFFFAOYSA-N 2 1 293.430 2.331 20 0 CEADMP C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@H+]1C ZINC000426781960 395079433 /nfs/dbraw/zinc/07/94/33/395079433.db2.gz FBOROGNWCPPNGC-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436405563 395114526 /nfs/dbraw/zinc/11/45/26/395114526.db2.gz BWDSMYZFYYVUIV-BZSNNMDCSA-N 2 1 288.435 2.054 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436405563 395114530 /nfs/dbraw/zinc/11/45/30/395114530.db2.gz BWDSMYZFYYVUIV-BZSNNMDCSA-N 2 1 288.435 2.054 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000347046656 395117416 /nfs/dbraw/zinc/11/74/16/395117416.db2.gz OWQKBMRZDIAZHW-ZIAGYGMSSA-N 2 1 290.407 2.407 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000347046656 395117422 /nfs/dbraw/zinc/11/74/22/395117422.db2.gz OWQKBMRZDIAZHW-ZIAGYGMSSA-N 2 1 290.407 2.407 20 0 CEADMP Cc1ccsc1[C@@H](CO)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000494626600 395128643 /nfs/dbraw/zinc/12/86/43/395128643.db2.gz RCRYNTPOTHKAMC-CHWSQXEVSA-N 2 1 268.426 2.164 20 0 CEADMP Cc1ccsc1[C@@H](CO)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000494626600 395128646 /nfs/dbraw/zinc/12/86/46/395128646.db2.gz RCRYNTPOTHKAMC-CHWSQXEVSA-N 2 1 268.426 2.164 20 0 CEADMP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000494639486 395129506 /nfs/dbraw/zinc/12/95/06/395129506.db2.gz VNKHRGGRTTZTHI-BZUAXINKSA-N 2 1 295.471 2.083 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCO1 ZINC000346835568 395109503 /nfs/dbraw/zinc/10/95/03/395109503.db2.gz UAAIRCPBUGJKIY-JKJDWNRSSA-N 2 1 266.429 2.251 20 0 CEADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCO1 ZINC000346874634 395112690 /nfs/dbraw/zinc/11/26/90/395112690.db2.gz PAECCJWADAYENS-GBJTYRQASA-N 2 1 254.418 2.121 20 0 CEADMP CCSCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000377386852 395137820 /nfs/dbraw/zinc/13/78/20/395137820.db2.gz RKGNIRLSUFXOEW-RRFJBIMHSA-N 2 1 286.485 2.219 20 0 CEADMP Cc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)n(C)n1 ZINC000417862443 395151151 /nfs/dbraw/zinc/15/11/51/395151151.db2.gz CIEJZHFTJJXJPF-KBPBESRZSA-N 2 1 278.444 2.186 20 0 CEADMP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000382228928 395180815 /nfs/dbraw/zinc/18/08/15/395180815.db2.gz XXPUKMZSQVBQJS-HUUCEWRRSA-N 2 1 264.413 2.164 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000430630609 395165238 /nfs/dbraw/zinc/16/52/38/395165238.db2.gz ZACDRQUTIRGQSB-OAHLLOKOSA-N 2 1 261.413 2.054 20 0 CEADMP CC[C@@H](O)C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379646426 395165316 /nfs/dbraw/zinc/16/53/16/395165316.db2.gz IZNMXKNOFQDMQN-GOEBONIOSA-N 2 1 264.413 2.258 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000380895740 395170121 /nfs/dbraw/zinc/17/01/21/395170121.db2.gz MJKRFCJVIPFXAS-VVLHAWIVSA-N 2 1 274.408 2.433 20 0 CEADMP C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000178971777 395176590 /nfs/dbraw/zinc/17/65/90/395176590.db2.gz AIKFWKIQUILGLS-YOEHRIQHSA-N 2 1 274.408 2.448 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3cn[nH]c3)CC2)[nH+]c1 ZINC000438843848 395231787 /nfs/dbraw/zinc/23/17/87/395231787.db2.gz SQMDTMPDNSPGPB-CYBMUJFWSA-N 2 1 285.395 2.433 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](O)C12CCCC2 ZINC000433029067 395191980 /nfs/dbraw/zinc/19/19/80/395191980.db2.gz AWQCJINVYFASLD-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP COCc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])o1 ZINC000404266093 395281569 /nfs/dbraw/zinc/28/15/69/395281569.db2.gz HNOTUECXXDGMRV-SWLSCSKDSA-N 2 1 266.385 2.375 20 0 CEADMP CCc1nc(N2CCC[C@@H](C)[C@H]2CC[NH3+])cc(C)[nH+]1 ZINC000404391865 395282951 /nfs/dbraw/zinc/28/29/51/395282951.db2.gz YJWIYFNXLVVGSA-DGCLKSJQSA-N 2 1 262.401 2.301 20 0 CEADMP c1cc(CCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccn1 ZINC000420322783 395325219 /nfs/dbraw/zinc/32/52/19/395325219.db2.gz FKFYWDARGNXJCL-SJORKVTESA-N 2 1 273.424 2.336 20 0 CEADMP CC[C@H](F)CN(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440536981 395326030 /nfs/dbraw/zinc/32/60/30/395326030.db2.gz OOKZXHVUJOIRBP-IRXDYDNUSA-N 2 1 294.414 2.303 20 0 CEADMP CC[C@@H](F)CN(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440536982 395326097 /nfs/dbraw/zinc/32/60/97/395326097.db2.gz OOKZXHVUJOIRBP-SJORKVTESA-N 2 1 294.414 2.303 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCO1 ZINC000353395481 395297389 /nfs/dbraw/zinc/29/73/89/395297389.db2.gz PTLQJWXXFKDFKC-QCODTGAPSA-N 2 1 266.429 2.264 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(O)CC2)[C@@H](C)C1 ZINC000353533421 395299699 /nfs/dbraw/zinc/29/96/99/395299699.db2.gz RXCBXJHRZWRNEO-ZGRYLRDCSA-N 2 1 298.471 2.017 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000353501236 395299868 /nfs/dbraw/zinc/29/98/68/395299868.db2.gz LUSXUIYUQCAGBA-CABCVRRESA-N 2 1 283.460 2.144 20 0 CEADMP C(C[N@H+]1CCC[C@H]1CC1CCCCC1)N1CC[NH2+]CC1 ZINC000420294573 395300449 /nfs/dbraw/zinc/30/04/49/395300449.db2.gz BGZOCJZSZQRDIM-KRWDZBQOSA-N 2 1 279.472 2.326 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000420295564 395302210 /nfs/dbraw/zinc/30/22/10/395302210.db2.gz VNVQZYHVUNACSR-HIFRSBDPSA-N 2 1 262.397 2.297 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420300620 395305690 /nfs/dbraw/zinc/30/56/90/395305690.db2.gz CULWBILLJFRFAZ-ZJUUUORDSA-N 2 1 273.302 2.270 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420300620 395305693 /nfs/dbraw/zinc/30/56/93/395305693.db2.gz CULWBILLJFRFAZ-ZJUUUORDSA-N 2 1 273.302 2.270 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000420300897 395305707 /nfs/dbraw/zinc/30/57/07/395305707.db2.gz DFKUWMSZULCXTA-CYZMBNFOSA-N 2 1 294.420 2.094 20 0 CEADMP Cc1ccc(NC(=O)C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420303505 395307180 /nfs/dbraw/zinc/30/71/80/395307180.db2.gz KLVUWJUHGRWTJG-OAHLLOKOSA-N 2 1 289.423 2.255 20 0 CEADMP C[C@@H]([NH3+])C[N@@H+](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000420303052 395308044 /nfs/dbraw/zinc/30/80/44/395308044.db2.gz MZMFQGHKOUNFHZ-HXSCFSKGSA-N 2 1 254.418 2.393 20 0 CEADMP c1ccc(CC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]2CCOC2)cc1 ZINC000420305924 395310517 /nfs/dbraw/zinc/31/05/17/395310517.db2.gz QDPJQVPZJGTXNK-ZWKOTPCHSA-N 2 1 288.435 2.320 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000353929759 395311595 /nfs/dbraw/zinc/31/15/95/395311595.db2.gz FLGVJRCZENLHIE-XJKSGUPXSA-N 2 1 266.429 2.408 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000420306330 395311623 /nfs/dbraw/zinc/31/16/23/395311623.db2.gz ASEQJMDHDJKGQB-KBPBESRZSA-N 2 1 250.411 2.222 20 0 CEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](F)CC)[C@H](C)C1 ZINC000440539748 395327070 /nfs/dbraw/zinc/32/70/70/395327070.db2.gz VHUVUQHRKNWRTL-KFWWJZLASA-N 2 1 274.424 2.461 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](F)CC)[C@H](C)C1 ZINC000440539748 395327075 /nfs/dbraw/zinc/32/70/75/395327075.db2.gz VHUVUQHRKNWRTL-KFWWJZLASA-N 2 1 274.424 2.461 20 0 CEADMP CC[NH+](CC)CCCN1CCC(CC[NH2+]C)CC1 ZINC000420307824 395313204 /nfs/dbraw/zinc/31/32/04/395313204.db2.gz MSQFOCDMBOSDJZ-UHFFFAOYSA-N 2 1 255.450 2.040 20 0 CEADMP CC[C@H]1C[C@@H](C)C[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420309871 395314444 /nfs/dbraw/zinc/31/44/44/395314444.db2.gz UFOYKNAAJMAHBQ-IWCQGFGOSA-N 2 1 276.424 2.038 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420312110 395316925 /nfs/dbraw/zinc/31/69/25/395316925.db2.gz HRIWBYCWKZFXKF-INIZCTEOSA-N 3 1 281.488 2.430 20 0 CEADMP c1ccc(N[C@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420315607 395319552 /nfs/dbraw/zinc/31/95/52/395319552.db2.gz KZTBXANJHHEUEY-HOCLYGCPSA-N 2 1 259.397 2.172 20 0 CEADMP FC(F)(F)CCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420315667 395319916 /nfs/dbraw/zinc/31/99/16/395319916.db2.gz XCIGILKTNVVCSF-NSHDSACASA-N 2 1 250.308 2.404 20 0 CEADMP FC(F)(F)CCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420315667 395319919 /nfs/dbraw/zinc/31/99/19/395319919.db2.gz XCIGILKTNVVCSF-NSHDSACASA-N 2 1 250.308 2.404 20 0 CEADMP Cc1cnccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000296589346 395323024 /nfs/dbraw/zinc/32/30/24/395323024.db2.gz XLJGNSKIICWYJO-UHFFFAOYSA-N 2 1 259.397 2.497 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000401890569 395265194 /nfs/dbraw/zinc/26/51/94/395265194.db2.gz SETYWZCDUAJJAS-DJIMGWMZSA-N 2 1 274.408 2.276 20 0 CEADMP Cc1ncsc1CC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420370145 395357735 /nfs/dbraw/zinc/35/77/35/395357735.db2.gz ORFGQGJVOOYLRQ-CYBMUJFWSA-N 2 1 267.442 2.491 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000420373274 395359047 /nfs/dbraw/zinc/35/90/47/395359047.db2.gz RAPMOOONGJEEND-PBFPGSCMSA-N 2 1 274.408 2.140 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000420376542 395361866 /nfs/dbraw/zinc/36/18/66/395361866.db2.gz VFBHEKREHQYTBP-IIAWOOMASA-N 2 1 262.397 2.432 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)o1 ZINC000435373108 395367408 /nfs/dbraw/zinc/36/74/08/395367408.db2.gz LXZWXJKIMDBXRR-ZYHUDNBSSA-N 2 1 274.368 2.147 20 0 CEADMP C[NH2+]CCC[N@H+](C)CCOc1c(C)cccc1C ZINC000420394337 395369841 /nfs/dbraw/zinc/36/98/41/395369841.db2.gz ZWBSOLZZPAENRJ-UHFFFAOYSA-N 2 1 250.386 2.224 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCOc1c(C)cccc1C ZINC000420394337 395369844 /nfs/dbraw/zinc/36/98/44/395369844.db2.gz ZWBSOLZZPAENRJ-UHFFFAOYSA-N 2 1 250.386 2.224 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C)s1 ZINC000420405845 395372517 /nfs/dbraw/zinc/37/25/17/395372517.db2.gz MZOAURSWXNJJIP-MFKMUULPSA-N 2 1 296.436 2.260 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C)s1 ZINC000420405845 395372521 /nfs/dbraw/zinc/37/25/21/395372521.db2.gz MZOAURSWXNJJIP-MFKMUULPSA-N 2 1 296.436 2.260 20 0 CEADMP CC[N@H+](Cc1c(C)noc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435629577 395380298 /nfs/dbraw/zinc/38/02/98/395380298.db2.gz UMGQRUFBZXYDCL-CYBMUJFWSA-N 2 1 251.374 2.255 20 0 CEADMP CC[N@@H+](Cc1c(C)noc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435629577 395380299 /nfs/dbraw/zinc/38/02/99/395380299.db2.gz UMGQRUFBZXYDCL-CYBMUJFWSA-N 2 1 251.374 2.255 20 0 CEADMP COC(=O)C1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000192443740 395382904 /nfs/dbraw/zinc/38/29/04/395382904.db2.gz UMCWVIPIENPWFP-SVFSVNPNSA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)C1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192443740 395382905 /nfs/dbraw/zinc/38/29/05/395382905.db2.gz UMCWVIPIENPWFP-SVFSVNPNSA-N 2 1 294.439 2.323 20 0 CEADMP COCCCC[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435736233 395384411 /nfs/dbraw/zinc/38/44/11/395384411.db2.gz VISBXRKNEHPZJV-AWEZNQCLSA-N 2 1 297.468 2.290 20 0 CEADMP CCC[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435735243 395385253 /nfs/dbraw/zinc/38/52/53/395385253.db2.gz LAPZQILNNWEDDY-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP CCC[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435735243 395385255 /nfs/dbraw/zinc/38/52/55/395385255.db2.gz LAPZQILNNWEDDY-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000435884034 395394327 /nfs/dbraw/zinc/39/43/27/395394327.db2.gz DAVHGTNJPWIOSK-CQSZACIVSA-N 2 1 276.380 2.204 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000435884034 395394333 /nfs/dbraw/zinc/39/43/33/395394333.db2.gz DAVHGTNJPWIOSK-CQSZACIVSA-N 2 1 276.380 2.204 20 0 CEADMP CCN(C(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000442781334 395395124 /nfs/dbraw/zinc/39/51/24/395395124.db2.gz PDAOMUSIEPJLJL-QLFBSQMISA-N 2 1 289.423 2.097 20 0 CEADMP CCN(C(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000442781334 395395127 /nfs/dbraw/zinc/39/51/27/395395127.db2.gz PDAOMUSIEPJLJL-QLFBSQMISA-N 2 1 289.423 2.097 20 0 CEADMP COc1ccc2c(c1)C[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420325686 395327921 /nfs/dbraw/zinc/32/79/21/395327921.db2.gz WRDGEOVISRGWRI-ZDUSSCGKSA-N 2 1 260.381 2.053 20 0 CEADMP COc1cccc2c1CC[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420353806 395340437 /nfs/dbraw/zinc/34/04/37/395340437.db2.gz CHCJDENVTYNYCU-CQSZACIVSA-N 2 1 274.408 2.095 20 0 CEADMP COc1cccc2c1CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420353477 395341447 /nfs/dbraw/zinc/34/14/47/395341447.db2.gz BTHAAPPACRWFPH-HNNXBMFYSA-N 2 1 288.435 2.486 20 0 CEADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420355067 395343197 /nfs/dbraw/zinc/34/31/97/395343197.db2.gz PPWZJKAJBVRNGB-IUODEOHRSA-N 2 1 264.413 2.297 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442931854 395397263 /nfs/dbraw/zinc/39/72/63/395397263.db2.gz WUILSMNNVUNTRV-GFCCVEGCSA-N 2 1 264.417 2.268 20 0 CEADMP Cc1cccc(OCC[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000420364984 395352108 /nfs/dbraw/zinc/35/21/08/395352108.db2.gz PSILOVVIVOECQY-AWEZNQCLSA-N 2 1 250.386 2.337 20 0 CEADMP COC(=O)CC1(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000440767094 395352194 /nfs/dbraw/zinc/35/21/94/395352194.db2.gz RFPOKDOJKHSNQH-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC1(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000440767094 395352199 /nfs/dbraw/zinc/35/21/99/395352199.db2.gz RFPOKDOJKHSNQH-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC1(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000440767094 395352205 /nfs/dbraw/zinc/35/22/05/395352205.db2.gz RFPOKDOJKHSNQH-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)CCCC1 ZINC000565533833 395475012 /nfs/dbraw/zinc/47/50/12/395475012.db2.gz KCCPXLUSAOSTMS-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2cnoc2C)C[C@H]1C ZINC000445820237 395471113 /nfs/dbraw/zinc/47/11/13/395471113.db2.gz SGJPMABCPWVHMV-RISCZKNCSA-N 2 1 251.374 2.288 20 0 CEADMP C[NH+](C)C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000193814430 395415667 /nfs/dbraw/zinc/41/56/67/395415667.db2.gz QLXGIKMZCOIDRQ-UHFFFAOYSA-N 2 1 262.397 2.482 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)c2C1 ZINC000444168184 395420070 /nfs/dbraw/zinc/42/00/70/395420070.db2.gz OSHCYFXVSLVALT-MAUKXSAKSA-N 2 1 299.418 2.350 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)c2C1 ZINC000444168184 395420073 /nfs/dbraw/zinc/42/00/73/395420073.db2.gz OSHCYFXVSLVALT-MAUKXSAKSA-N 2 1 299.418 2.350 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC[NH2+]3)cc2)C1 ZINC000444166737 395420201 /nfs/dbraw/zinc/42/02/01/395420201.db2.gz CEPXTUQZFZGAQT-CZUORRHYSA-N 2 1 287.407 2.219 20 0 CEADMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000444301582 395426017 /nfs/dbraw/zinc/42/60/17/395426017.db2.gz FRZMBFWLTUEBES-AJNGGQMLSA-N 2 1 293.455 2.014 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000567870966 395537820 /nfs/dbraw/zinc/53/78/20/395537820.db2.gz BXONNPWVTRAINF-UHFFFAOYSA-N 3 1 261.413 2.108 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446067654 395481000 /nfs/dbraw/zinc/48/10/00/395481000.db2.gz BIAHRPZSSWBPAV-YNEHKIRRSA-N 2 1 251.374 2.079 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446067654 395481002 /nfs/dbraw/zinc/48/10/02/395481002.db2.gz BIAHRPZSSWBPAV-YNEHKIRRSA-N 2 1 251.374 2.079 20 0 CEADMP Cc1cccc([C@@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000566114614 395499898 /nfs/dbraw/zinc/49/98/98/395499898.db2.gz CHGUEJIJIISZFJ-YOEHRIQHSA-N 2 1 276.424 2.143 20 0 CEADMP Cc1cccc([C@@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000566114614 395499901 /nfs/dbraw/zinc/49/99/01/395499901.db2.gz CHGUEJIJIISZFJ-YOEHRIQHSA-N 2 1 276.424 2.143 20 0 CEADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000451238336 395597427 /nfs/dbraw/zinc/59/74/27/395597427.db2.gz UCGXZTXDXVWLMM-ZNMIVQPWSA-N 2 1 282.428 2.182 20 0 CEADMP CC[NH+](CC)CCC[NH2+]C1(C(=O)N(C)C)CCCCC1 ZINC000451396691 395613528 /nfs/dbraw/zinc/61/35/28/395613528.db2.gz BFDIQQQBMUVQGX-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000449560248 395555035 /nfs/dbraw/zinc/55/50/35/395555035.db2.gz IJKUCILEGSZVFD-MNKFUTIGSA-N 2 1 266.429 2.261 20 0 CEADMP c1cncc([C@@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000568758728 395570360 /nfs/dbraw/zinc/57/03/60/395570360.db2.gz PJEOSPJROTUXJO-MRXNPFEDSA-N 2 1 259.397 2.357 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000569217892 395575412 /nfs/dbraw/zinc/57/54/12/395575412.db2.gz OCEAHLYCTINKJT-KFWWJZLASA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H]1C[C@@H](NCc2noc3ccccc32)CC[N@H+]1C ZINC000574890101 395640131 /nfs/dbraw/zinc/64/01/31/395640131.db2.gz NXANAZGIDRTDOR-RYUDHWBXSA-N 2 1 259.353 2.400 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNCc2ccc3c(n2)CCC3)C1 ZINC000575014890 395644138 /nfs/dbraw/zinc/64/41/38/395644138.db2.gz OCINNICYZWYPBS-CQSZACIVSA-N 2 1 273.424 2.390 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000575014890 395644140 /nfs/dbraw/zinc/64/41/40/395644140.db2.gz OCINNICYZWYPBS-CQSZACIVSA-N 2 1 273.424 2.390 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000575014890 395644141 /nfs/dbraw/zinc/64/41/41/395644141.db2.gz OCINNICYZWYPBS-CQSZACIVSA-N 2 1 273.424 2.390 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000493905328 395677757 /nfs/dbraw/zinc/67/77/57/395677757.db2.gz HNDQYKSWGYBHIG-BZUAXINKSA-N 2 1 278.440 2.408 20 0 CEADMP COCC(C)(C)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479289 395719747 /nfs/dbraw/zinc/71/97/47/395719747.db2.gz ANHWMMHPNBRWGN-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[C@@H](C[N@@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647492897 395721283 /nfs/dbraw/zinc/72/12/83/395721283.db2.gz GXDHVSMHCNFCAU-SFHVURJKSA-N 2 1 289.467 2.407 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cn3cccc(F)c3n2)CC1 ZINC000647491701 395721296 /nfs/dbraw/zinc/72/12/96/395721296.db2.gz CSAOBCYPJOHJTN-LLVKDONJSA-N 2 1 276.359 2.033 20 0 CEADMP C[C@H](CCc1ccccc1)C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647507749 395723594 /nfs/dbraw/zinc/72/35/94/395723594.db2.gz WZGASCULHZUKJV-VYDXJSESSA-N 2 1 276.424 2.303 20 0 CEADMP C[C@H](CCc1ccccc1)C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647507749 395723596 /nfs/dbraw/zinc/72/35/96/395723596.db2.gz WZGASCULHZUKJV-VYDXJSESSA-N 2 1 276.424 2.303 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647542699 395731009 /nfs/dbraw/zinc/73/10/09/395731009.db2.gz ACUHYQOICROOCH-HUUCEWRRSA-N 2 1 289.423 2.307 20 0 CEADMP COc1ccc(CCC[NH2+][C@H]2C[NH2+]C[C@H](C)C2)cc1OC ZINC000647550571 395733675 /nfs/dbraw/zinc/73/36/75/395733675.db2.gz ZAORWXJESAQSGX-UKRRQHHQSA-N 2 1 292.423 2.224 20 0 CEADMP C[N@H+](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000647784077 395754058 /nfs/dbraw/zinc/75/40/58/395754058.db2.gz HGCSCCNECVZNOX-OWCLPIDISA-N 3 1 279.472 2.229 20 0 CEADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000647784077 395754061 /nfs/dbraw/zinc/75/40/61/395754061.db2.gz HGCSCCNECVZNOX-OWCLPIDISA-N 3 1 279.472 2.229 20 0 CEADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647786343 395754360 /nfs/dbraw/zinc/75/43/60/395754360.db2.gz NBEDMKIJNVSRPJ-QBPKDAKJSA-N 3 1 293.499 2.475 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647786343 395754363 /nfs/dbraw/zinc/75/43/63/395754363.db2.gz NBEDMKIJNVSRPJ-QBPKDAKJSA-N 3 1 293.499 2.475 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000647789515 395754897 /nfs/dbraw/zinc/75/48/97/395754897.db2.gz GWCVOZILLCKXLL-BSDSXHPESA-N 3 1 293.499 2.475 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000647826849 395760654 /nfs/dbraw/zinc/76/06/54/395760654.db2.gz BOHPWVINSXYOOQ-CJNGLKHVSA-N 2 1 294.443 2.276 20 0 CEADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCc2c1cccc2Cl ZINC000647836178 395762045 /nfs/dbraw/zinc/76/20/45/395762045.db2.gz IFXIYJGSIMXYFU-INIZCTEOSA-N 2 1 293.842 2.164 20 0 CEADMP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+])cc1 ZINC000647849002 395763359 /nfs/dbraw/zinc/76/33/59/395763359.db2.gz DARGCCUHPWCDHI-ZIAGYGMSSA-N 2 1 291.439 2.095 20 0 CEADMP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+])cc1 ZINC000647849002 395763360 /nfs/dbraw/zinc/76/33/60/395763360.db2.gz DARGCCUHPWCDHI-ZIAGYGMSSA-N 2 1 291.439 2.095 20 0 CEADMP C[N@H+](CCOCC[NH3+])Cc1ccc(Cl)cc1Cl ZINC000647872183 395766294 /nfs/dbraw/zinc/76/62/94/395766294.db2.gz BZNQMOGNGUHOFJ-UHFFFAOYSA-N 2 1 277.195 2.401 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Cl)cc1Cl ZINC000647872183 395766295 /nfs/dbraw/zinc/76/62/95/395766295.db2.gz BZNQMOGNGUHOFJ-UHFFFAOYSA-N 2 1 277.195 2.401 20 0 CEADMP CCCCC[N@@H+](CCO)CCCC1CC[NH2+]CC1 ZINC000647874708 395766624 /nfs/dbraw/zinc/76/66/24/395766624.db2.gz NZMVMRLSFRKUKZ-UHFFFAOYSA-N 2 1 256.434 2.251 20 0 CEADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1OC ZINC000647874363 395766770 /nfs/dbraw/zinc/76/67/70/395766770.db2.gz NKYBJSGLOKEHCI-UKRRQHHQSA-N 2 1 290.407 2.450 20 0 CEADMP C[N@@H+](CCOc1ccccc1Cl)C[C@H]1CC[NH2+]C1 ZINC000647873487 395766933 /nfs/dbraw/zinc/76/69/33/395766933.db2.gz PPYKUULSWSFEGK-LBPRGKRZSA-N 2 1 268.788 2.260 20 0 CEADMP CC[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCOC1 ZINC000647878524 395767136 /nfs/dbraw/zinc/76/71/36/395767136.db2.gz OFRRVGWDJXPEHT-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP COc1ccc(CCC[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC000647881241 395768230 /nfs/dbraw/zinc/76/82/30/395768230.db2.gz ZSZQSJLXSHWEEM-HNNXBMFYSA-N 2 1 262.397 2.169 20 0 CEADMP COc1ccccc1[C@H]1CCCC[N@H+]1CCOCC[NH3+] ZINC000647884473 395769471 /nfs/dbraw/zinc/76/94/71/395769471.db2.gz UNNSRLKSKFDOMH-OAHLLOKOSA-N 2 1 278.396 2.198 20 0 CEADMP FC(F)(F)COCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978355 395794410 /nfs/dbraw/zinc/79/44/10/395794410.db2.gz QHJFHKMAJFCPNP-OLZOCXBDSA-N 2 1 294.361 2.277 20 0 CEADMP CC(C)n1ncnc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978720 395794433 /nfs/dbraw/zinc/79/44/33/395794433.db2.gz XDCDWRAPTDOQCA-HUUCEWRRSA-N 2 1 291.443 2.071 20 0 CEADMP CC(C)n1ncnc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978720 395794436 /nfs/dbraw/zinc/79/44/36/395794436.db2.gz XDCDWRAPTDOQCA-HUUCEWRRSA-N 2 1 291.443 2.071 20 0 CEADMP C[C@H](c1cnccn1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977816 395794488 /nfs/dbraw/zinc/79/44/88/395794488.db2.gz ICGBLLDCVIZXON-QLFBSQMISA-N 2 1 274.412 2.249 20 0 CEADMP CCN1C[C@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H]1C ZINC000647989083 395796853 /nfs/dbraw/zinc/79/68/53/395796853.db2.gz GVKWJFANUDKGHY-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@@H+]1C[C@H](C)N(CCCC2CC[NH2+]CC2)C[C@@H]1C ZINC000647989083 395796855 /nfs/dbraw/zinc/79/68/55/395796855.db2.gz GVKWJFANUDKGHY-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@H+]1C[C@H](C)N(CCCC2CC[NH2+]CC2)C[C@@H]1C ZINC000647989083 395796856 /nfs/dbraw/zinc/79/68/56/395796856.db2.gz GVKWJFANUDKGHY-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCOCC2(CCC2)C1 ZINC000647991133 395797732 /nfs/dbraw/zinc/79/77/32/395797732.db2.gz BMRXNINWBVUVMA-UHFFFAOYSA-N 2 1 266.429 2.269 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)CCO1 ZINC000648468828 395914028 /nfs/dbraw/zinc/91/40/28/395914028.db2.gz ODMSWFZEKYJHDG-IRXDYDNUSA-N 2 1 298.471 2.423 20 0 CEADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000649299020 396115753 /nfs/dbraw/zinc/11/57/53/396115753.db2.gz TWHGKOKNAPHRJY-JYJNAYRXSA-N 2 1 295.471 2.084 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000649413907 396147059 /nfs/dbraw/zinc/14/70/59/396147059.db2.gz RMVWWBZNYKCMNO-DOTOQJQBSA-N 3 1 281.488 2.428 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000649413907 396147061 /nfs/dbraw/zinc/14/70/61/396147061.db2.gz RMVWWBZNYKCMNO-DOTOQJQBSA-N 3 1 281.488 2.428 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000649413907 396147062 /nfs/dbraw/zinc/14/70/62/396147062.db2.gz RMVWWBZNYKCMNO-DOTOQJQBSA-N 3 1 281.488 2.428 20 0 CEADMP CCN1CC[C@@H]([N@H+](C)CCCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000649413907 396147065 /nfs/dbraw/zinc/14/70/65/396147065.db2.gz RMVWWBZNYKCMNO-DOTOQJQBSA-N 2 1 281.488 2.428 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CCCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000649413907 396147068 /nfs/dbraw/zinc/14/70/68/396147068.db2.gz RMVWWBZNYKCMNO-DOTOQJQBSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@H](c1ccncc1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000649418492 396149170 /nfs/dbraw/zinc/14/91/70/396149170.db2.gz FRSJKBDLLAZCFL-BMFZPTHFSA-N 2 1 259.397 2.464 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](CCc2cccs2)CC1 ZINC000649495437 396170541 /nfs/dbraw/zinc/17/05/41/396170541.db2.gz RAQXKTZUWKTYPA-OAHLLOKOSA-N 2 1 293.480 2.002 20 0 CEADMP CC[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)[C@@H](C)CO1 ZINC000649734764 396245082 /nfs/dbraw/zinc/24/50/82/396245082.db2.gz AGHWBMXXTXXMPI-ZFWWWQNUSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)[C@@H](C)CO1 ZINC000649734764 396245086 /nfs/dbraw/zinc/24/50/86/396245086.db2.gz AGHWBMXXTXXMPI-ZFWWWQNUSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1sccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000646077126 396286065 /nfs/dbraw/zinc/28/60/65/396286065.db2.gz GDDVDHOWFQIDIL-MRXNPFEDSA-N 2 1 293.480 2.268 20 0 CEADMP Cc1sccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000646077126 396286068 /nfs/dbraw/zinc/28/60/68/396286068.db2.gz GDDVDHOWFQIDIL-MRXNPFEDSA-N 2 1 293.480 2.268 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CC[C@H]1CCC[NH+]1C)CCOCC2 ZINC000646098030 396292234 /nfs/dbraw/zinc/29/22/34/396292234.db2.gz DSMFEARNCXGMKF-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]1CC2(C[NH+]1CC[C@H]1CCC[N@@H+]1C)CCOCC2 ZINC000646098030 396292236 /nfs/dbraw/zinc/29/22/36/396292236.db2.gz DSMFEARNCXGMKF-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]1CC2(C[NH+]1CC[C@H]1CCC[N@H+]1C)CCOCC2 ZINC000646098030 396292240 /nfs/dbraw/zinc/29/22/40/396292240.db2.gz DSMFEARNCXGMKF-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000646916377 396390390 /nfs/dbraw/zinc/39/03/90/396390390.db2.gz GWUBOZGFDXJKGP-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000646916378 396390609 /nfs/dbraw/zinc/39/06/09/396390609.db2.gz GWUBOZGFDXJKGP-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)[C@@H](C)O1 ZINC000647249312 396450279 /nfs/dbraw/zinc/45/02/79/396450279.db2.gz QYYNWCKEGZUPTL-XQZMSQOBSA-N 2 1 288.435 2.487 20 0 CEADMP COC1CC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309765520 400340782 /nfs/dbraw/zinc/34/07/82/400340782.db2.gz ZHMJOGGKJRRVOM-GTPINHCMSA-N 2 1 274.408 2.276 20 0 CEADMP C[C@H]([NH2+]CCn1cccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309772447 400340912 /nfs/dbraw/zinc/34/09/12/400340912.db2.gz HVSSLSKQSZRZFZ-FUHWJXTLSA-N 2 1 298.434 2.383 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCN2CCC(C)CC2)[C@H](C)C1 ZINC000155997185 289187043 /nfs/dbraw/zinc/18/70/43/289187043.db2.gz MLBKCGZQYDVFQT-HZPDHXFCSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000386391123 400527029 /nfs/dbraw/zinc/52/70/29/400527029.db2.gz UBMOVLQBLJEJDN-OCCSQVGLSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000386391123 400527038 /nfs/dbraw/zinc/52/70/38/400527038.db2.gz UBMOVLQBLJEJDN-OCCSQVGLSA-N 2 1 256.434 2.246 20 0 CEADMP C[N@@H+](CCCC1CCCCC1)CCN1CC[NH2+]CC1 ZINC000395120098 400554664 /nfs/dbraw/zinc/55/46/64/400554664.db2.gz GISCQBOHMGQXQT-UHFFFAOYSA-N 2 1 267.461 2.184 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1nc(-c2ccccc2)no1 ZINC000574410350 400606946 /nfs/dbraw/zinc/60/69/46/400606946.db2.gz HMDSANGRDLVEPX-TZMCWYRMSA-N 2 1 286.379 2.091 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H](C)c1cnccn1 ZINC000650130341 400809857 /nfs/dbraw/zinc/80/98/57/400809857.db2.gz QEFSOOZIAGSIOC-ZDUSSCGKSA-N 2 1 250.390 2.105 20 0 CEADMP c1cc2c(c(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c1)CCC2 ZINC000650703477 400996941 /nfs/dbraw/zinc/99/69/41/400996941.db2.gz BEKKCHHHBGXUSY-NVXWUHKLSA-N 2 1 256.393 2.359 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650706654 400997450 /nfs/dbraw/zinc/99/74/50/400997450.db2.gz PEDSSROGARYQMQ-YDHLFZDLSA-N 2 1 295.452 2.170 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709224 400999763 /nfs/dbraw/zinc/99/97/63/400999763.db2.gz KTCJIHATFJQYBW-RDJZCZTQSA-N 2 1 287.407 2.206 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)nc1 ZINC000650709289 400999953 /nfs/dbraw/zinc/99/99/53/400999953.db2.gz PIVQXKRSFOXESZ-BBRMVZONSA-N 2 1 275.396 2.041 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)nc1 ZINC000650709289 400999955 /nfs/dbraw/zinc/99/99/55/400999955.db2.gz PIVQXKRSFOXESZ-BBRMVZONSA-N 2 1 275.396 2.041 20 0 CEADMP CC[N@@H+](CCCN[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000650710345 401000409 /nfs/dbraw/zinc/00/04/09/401000409.db2.gz MZHSGDPAQOLZOF-OAHLLOKOSA-N 2 1 267.461 2.373 20 0 CEADMP COc1cc(C)nc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000650717527 401007320 /nfs/dbraw/zinc/00/73/20/401007320.db2.gz DDVQLNYSTRLFJI-UHFFFAOYSA-N 2 1 289.354 2.286 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000650722841 401012295 /nfs/dbraw/zinc/01/22/95/401012295.db2.gz CCSBEMJDNGKDAX-BRWVUGGUSA-N 2 1 289.423 2.251 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000650740582 401015992 /nfs/dbraw/zinc/01/59/92/401015992.db2.gz MZMRXRYDCUKBCO-HUUCEWRRSA-N 2 1 255.450 2.085 20 0 CEADMP CC[C@H]([NH2+]Cc1ccccc1C[NH2+]C)c1nccn1C ZINC000650757359 401034714 /nfs/dbraw/zinc/03/47/14/401034714.db2.gz VFNBOFSGROADBX-HNNXBMFYSA-N 2 1 272.396 2.380 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@H+]1CCC ZINC000359950803 155177523 /nfs/dbraw/zinc/17/75/23/155177523.db2.gz UOHXMCBRTQDWAC-CABCVRRESA-N 2 1 283.460 2.144 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)oc1C ZINC000652348411 401491746 /nfs/dbraw/zinc/49/17/46/401491746.db2.gz CRNCDNZZKYSUKT-ZNMIVQPWSA-N 2 1 293.411 2.010 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC000652355614 401493106 /nfs/dbraw/zinc/49/31/06/401493106.db2.gz BCDLGGFZFOLHNO-GOEBONIOSA-N 3 1 267.461 2.216 20 0 CEADMP CC[C@@H](C(=O)NCC[N@H+]1CCCC[C@@H]1CC)[NH+](CC)CC ZINC000360219631 155247046 /nfs/dbraw/zinc/24/70/46/155247046.db2.gz VSSYYHKCCWRQEK-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000360541853 155324042 /nfs/dbraw/zinc/32/40/42/155324042.db2.gz HRIFHBGTBAQLQT-ZFWWWQNUSA-N 2 1 293.411 2.245 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000360541853 155324046 /nfs/dbraw/zinc/32/40/46/155324046.db2.gz HRIFHBGTBAQLQT-ZFWWWQNUSA-N 2 1 293.411 2.245 20 0 CEADMP Cc1n[nH]cc1CN1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000360790136 155373680 /nfs/dbraw/zinc/37/36/80/155373680.db2.gz AXXIZQIEXZJXEU-BZSNNMDCSA-N 2 1 296.418 2.453 20 0 CEADMP Cc1n[nH]cc1C[NH+]1C[C@@H]2C[N@@H+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000360790136 155373682 /nfs/dbraw/zinc/37/36/82/155373682.db2.gz AXXIZQIEXZJXEU-BZSNNMDCSA-N 2 1 296.418 2.453 20 0 CEADMP Cc1n[nH]cc1C[NH+]1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000360790136 155373685 /nfs/dbraw/zinc/37/36/85/155373685.db2.gz AXXIZQIEXZJXEU-BZSNNMDCSA-N 2 1 296.418 2.453 20 0 CEADMP Cc1n[nH]cc1C[N@H+]1C[C@@H]2C[NH+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000360790136 155373687 /nfs/dbraw/zinc/37/36/87/155373687.db2.gz AXXIZQIEXZJXEU-BZSNNMDCSA-N 2 1 296.418 2.453 20 0 CEADMP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2C[NH+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000360790136 155373688 /nfs/dbraw/zinc/37/36/88/155373688.db2.gz AXXIZQIEXZJXEU-BZSNNMDCSA-N 2 1 296.418 2.453 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192712787 153216190 /nfs/dbraw/zinc/21/61/90/153216190.db2.gz DZIUXQBIVUZDHA-HMQMGEFJSA-N 2 1 274.408 2.243 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000192920885 153225818 /nfs/dbraw/zinc/22/58/18/153225818.db2.gz TYAWHRBYPKBKGD-DLBZAZTESA-N 2 1 274.408 2.277 20 0 CEADMP Cc1noc([C@@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000193477014 153237520 /nfs/dbraw/zinc/23/75/20/153237520.db2.gz ZQDGIGWRLULRJT-CQSZACIVSA-N 2 1 278.400 2.043 20 0 CEADMP Cc1noc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000193477014 153237524 /nfs/dbraw/zinc/23/75/24/153237524.db2.gz ZQDGIGWRLULRJT-CQSZACIVSA-N 2 1 278.400 2.043 20 0 CEADMP CCOc1cc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)ccc1O ZINC000226864234 153339197 /nfs/dbraw/zinc/33/91/97/153339197.db2.gz JVNRLGKKNCKHJB-JSGCOSHPSA-N 2 1 278.396 2.363 20 0 CEADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1O ZINC000226864234 153339203 /nfs/dbraw/zinc/33/92/03/153339203.db2.gz JVNRLGKKNCKHJB-JSGCOSHPSA-N 2 1 278.396 2.363 20 0 CEADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1O ZINC000226864234 153339211 /nfs/dbraw/zinc/33/92/11/153339211.db2.gz JVNRLGKKNCKHJB-JSGCOSHPSA-N 2 1 278.396 2.363 20 0 CEADMP C[C@H](O)C[C@@H]1CCC[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000228731155 153369106 /nfs/dbraw/zinc/36/91/06/153369106.db2.gz MJQRFITYSYFZRW-KKUMJFAQSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](O)C[C@@H]1CCC[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000228731155 153369112 /nfs/dbraw/zinc/36/91/12/153369112.db2.gz MJQRFITYSYFZRW-KKUMJFAQSA-N 2 1 254.418 2.096 20 0 CEADMP C[NH+](C)CCOCC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000230004550 153380829 /nfs/dbraw/zinc/38/08/29/153380829.db2.gz ATCMNROFAXEZRZ-UHFFFAOYSA-N 2 1 285.457 2.108 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000344006357 154265792 /nfs/dbraw/zinc/26/57/92/154265792.db2.gz CXCPYOOXESZOFH-JEYLPNPQSA-N 2 1 283.460 2.144 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000344006357 154265797 /nfs/dbraw/zinc/26/57/97/154265797.db2.gz CXCPYOOXESZOFH-JEYLPNPQSA-N 2 1 283.460 2.144 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)C[C@@H]21 ZINC000346816827 154299927 /nfs/dbraw/zinc/29/99/27/154299927.db2.gz BAAAYTGSQFNVHC-QLFBSQMISA-N 2 1 270.380 2.122 20 0 CEADMP COCCCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000347086366 154301445 /nfs/dbraw/zinc/30/14/45/154301445.db2.gz DUVDEFUQWXMRHI-YOEHRIQHSA-N 2 1 292.423 2.271 20 0 CEADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000357080404 154372078 /nfs/dbraw/zinc/37/20/78/154372078.db2.gz MCNZHZSMXRQYRI-GFCCVEGCSA-N 2 1 270.804 2.178 20 0 CEADMP C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCOCC[NH3+])C1 ZINC000357077066 154373793 /nfs/dbraw/zinc/37/37/93/154373793.db2.gz JITMKHKRSIQDON-SWLSCSKDSA-N 2 1 266.360 2.184 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357080457 154377058 /nfs/dbraw/zinc/37/70/58/154377058.db2.gz MUFZVDFIZIPDQE-GJZGRUSLSA-N 2 1 290.407 2.005 20 0 CEADMP C[C@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000357860180 154392898 /nfs/dbraw/zinc/39/28/98/154392898.db2.gz WMRBCWZFBMMZKF-LSDHHAIUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CN1C1CC1 ZINC000357860180 154392900 /nfs/dbraw/zinc/39/29/00/154392900.db2.gz WMRBCWZFBMMZKF-LSDHHAIUSA-N 2 1 279.472 2.323 20 0 CEADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000122952287 292309054 /nfs/dbraw/zinc/30/90/54/292309054.db2.gz AKRUNFNVNSGUGD-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP O[C@H](C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1 ZINC000363256872 156020484 /nfs/dbraw/zinc/02/04/84/156020484.db2.gz PZHGOLOHCWPENR-BRSBDYLESA-N 2 1 286.419 2.136 20 0 CEADMP O[C@H](C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1 ZINC000363256872 156020487 /nfs/dbraw/zinc/02/04/87/156020487.db2.gz PZHGOLOHCWPENR-BRSBDYLESA-N 2 1 286.419 2.136 20 0 CEADMP O[C@H](C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1 ZINC000363256872 156020490 /nfs/dbraw/zinc/02/04/90/156020490.db2.gz PZHGOLOHCWPENR-BRSBDYLESA-N 2 1 286.419 2.136 20 0 CEADMP Cn1cc(C[C@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC000363880523 156045963 /nfs/dbraw/zinc/04/59/63/156045963.db2.gz VOQJVZFJXXLKEV-WBVHZDCISA-N 2 1 290.455 2.159 20 0 CEADMP Cn1cc(C[C@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000363880523 156045965 /nfs/dbraw/zinc/04/59/65/156045965.db2.gz VOQJVZFJXXLKEV-WBVHZDCISA-N 2 1 290.455 2.159 20 0 CEADMP Cn1cc(C[C@H]2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC000363880523 156045969 /nfs/dbraw/zinc/04/59/69/156045969.db2.gz VOQJVZFJXXLKEV-WBVHZDCISA-N 2 1 290.455 2.159 20 0 CEADMP Cn1cc(C[C@@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC000363880522 156047070 /nfs/dbraw/zinc/04/70/70/156047070.db2.gz VOQJVZFJXXLKEV-RDJZCZTQSA-N 2 1 290.455 2.159 20 0 CEADMP Cn1cc(C[C@@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000363880522 156047072 /nfs/dbraw/zinc/04/70/72/156047072.db2.gz VOQJVZFJXXLKEV-RDJZCZTQSA-N 2 1 290.455 2.159 20 0 CEADMP Cn1cc(C[C@@H]2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC000363880522 156047075 /nfs/dbraw/zinc/04/70/75/156047075.db2.gz VOQJVZFJXXLKEV-RDJZCZTQSA-N 2 1 290.455 2.159 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000365736253 156074280 /nfs/dbraw/zinc/07/42/80/156074280.db2.gz NKKPUJNXOALXJE-WQGXVZNYSA-N 2 1 252.402 2.016 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCC3CCOCC3)C2)C1 ZINC000366559213 156078152 /nfs/dbraw/zinc/07/81/52/156078152.db2.gz MLZVPBTUKYCTRZ-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCC3CCOCC3)C2)C1 ZINC000366559213 156078156 /nfs/dbraw/zinc/07/81/56/156078156.db2.gz MLZVPBTUKYCTRZ-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCC3CCOCC3)C2)C1 ZINC000366559213 156078158 /nfs/dbraw/zinc/07/81/58/156078158.db2.gz MLZVPBTUKYCTRZ-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+]([C@@H]3C=CCCC3)C2)CC1 ZINC000367623182 156219558 /nfs/dbraw/zinc/21/95/58/156219558.db2.gz MTZAWEYABYMQNO-DLBZAZTESA-N 2 1 277.456 2.055 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000368075047 156280118 /nfs/dbraw/zinc/28/01/18/156280118.db2.gz PQFYBSKXMZIZIL-LSDHHAIUSA-N 2 1 277.412 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000368075047 156280122 /nfs/dbraw/zinc/28/01/22/156280122.db2.gz PQFYBSKXMZIZIL-LSDHHAIUSA-N 2 1 277.412 2.471 20 0 CEADMP CCC[C@]1(CO)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000368586368 156368101 /nfs/dbraw/zinc/36/81/01/156368101.db2.gz XSJIXJZPZXJRTA-INIZCTEOSA-N 2 1 268.445 2.347 20 0 CEADMP CCC[C@@]1(CO)CC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000368572262 156368428 /nfs/dbraw/zinc/36/84/28/156368428.db2.gz GWANLTGODHMAMT-OAHLLOKOSA-N 2 1 256.434 2.203 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(F)c2)[C@@H]2CCC[C@@H]21 ZINC000368607795 156375801 /nfs/dbraw/zinc/37/58/01/156375801.db2.gz IXHQLXPXXRWILT-QAETUUGQSA-N 2 1 292.398 2.322 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000530215528 298052416 /nfs/dbraw/zinc/05/24/16/298052416.db2.gz HBKFAQXMLZTKOI-UONOGXRCSA-N 2 1 252.402 2.066 20 0 CEADMP Cc1nccn1CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000375863609 157154244 /nfs/dbraw/zinc/15/42/44/157154244.db2.gz XKYCSCWJBZXENI-BBWFWOEESA-N 2 1 290.455 2.434 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000375863609 157154248 /nfs/dbraw/zinc/15/42/48/157154248.db2.gz XKYCSCWJBZXENI-BBWFWOEESA-N 3 1 290.455 2.434 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000375863609 157154251 /nfs/dbraw/zinc/15/42/51/157154251.db2.gz XKYCSCWJBZXENI-BBWFWOEESA-N 3 1 290.455 2.434 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H](CC)c2cnn(C)c2)CC1 ZINC000161590669 162328151 /nfs/dbraw/zinc/32/81/51/162328151.db2.gz MIFTWBMFSHZKER-OAHLLOKOSA-N 2 1 264.417 2.335 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCOCC1 ZINC000119734566 287012999 /nfs/dbraw/zinc/01/29/99/287012999.db2.gz WFJUEFVZKADZKT-GFCCVEGCSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000042341510 287032049 /nfs/dbraw/zinc/03/20/49/287032049.db2.gz VSWKRQAMFVXCDG-IUODEOHRSA-N 2 1 282.815 2.447 20 0 CEADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCCCC1 ZINC000177245309 165193317 /nfs/dbraw/zinc/19/33/17/165193317.db2.gz BJMYXFHELFLWLD-AWEZNQCLSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CCC1 ZINC000178738471 165256579 /nfs/dbraw/zinc/25/65/79/165256579.db2.gz UABPKFVWBZMPHZ-AWEZNQCLSA-N 2 1 267.461 2.038 20 0 CEADMP COCCC[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178704836 165257324 /nfs/dbraw/zinc/25/73/24/165257324.db2.gz IJEDNEHZDFHGQD-QWHCGFSZSA-N 2 1 253.390 2.232 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCOC(C)C ZINC000179293793 165275825 /nfs/dbraw/zinc/27/58/25/165275825.db2.gz AZEDYFDZQKNJQE-UHFFFAOYSA-N 2 1 253.390 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCOC(C)C ZINC000179293793 165275827 /nfs/dbraw/zinc/27/58/27/165275827.db2.gz AZEDYFDZQKNJQE-UHFFFAOYSA-N 2 1 253.390 2.329 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(C2CC2)CC1 ZINC000179248043 165276090 /nfs/dbraw/zinc/27/60/90/165276090.db2.gz WSIMXUJKDXYBKH-UHFFFAOYSA-N 2 1 276.428 2.142 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(C2CC2)CC1 ZINC000179248043 165276091 /nfs/dbraw/zinc/27/60/91/165276091.db2.gz WSIMXUJKDXYBKH-UHFFFAOYSA-N 2 1 276.428 2.142 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000020124341 171006508 /nfs/dbraw/zinc/00/65/08/171006508.db2.gz XCTCITKOWJCWGC-UHFFFAOYSA-N 2 1 276.380 2.378 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2-n2ccnn2)C1 ZINC000285663369 196358597 /nfs/dbraw/zinc/35/85/97/196358597.db2.gz MXAPGNDSSMATRD-HUUCEWRRSA-N 2 1 299.422 2.260 20 0 CEADMP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1F ZINC000037250030 173062157 /nfs/dbraw/zinc/06/21/57/173062157.db2.gz DNEMMBGUXYODMM-UHFFFAOYSA-N 2 1 252.333 2.018 20 0 CEADMP O[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000037489980 173231223 /nfs/dbraw/zinc/23/12/23/173231223.db2.gz ZBJNMKMJXVIUJY-IRXDYDNUSA-N 2 1 274.408 2.154 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000040600834 174351182 /nfs/dbraw/zinc/35/11/82/174351182.db2.gz MAEHRSAIABYUGH-MRXNPFEDSA-N 2 1 284.407 2.304 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CCC(F)(F)CC1 ZINC000653872204 414764430 /nfs/dbraw/zinc/76/44/30/414764430.db2.gz RCJCRKUHTRFAEH-RISCZKNCSA-N 2 1 290.398 2.245 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CCC(F)(F)CC1 ZINC000653872204 414764434 /nfs/dbraw/zinc/76/44/34/414764434.db2.gz RCJCRKUHTRFAEH-RISCZKNCSA-N 2 1 290.398 2.245 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662836064 414766069 /nfs/dbraw/zinc/76/60/69/414766069.db2.gz VBIPDQFCPKKLQB-ARFHVFGLSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CCc2ccccc21 ZINC000404728360 414789156 /nfs/dbraw/zinc/78/91/56/414789156.db2.gz GGSQTLLSKLDBJS-PBHICJAKSA-N 2 1 288.435 2.103 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CCc2ccccc21 ZINC000404728360 414789162 /nfs/dbraw/zinc/78/91/62/414789162.db2.gz GGSQTLLSKLDBJS-PBHICJAKSA-N 2 1 288.435 2.103 20 0 CEADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662839982 414768192 /nfs/dbraw/zinc/76/81/92/414768192.db2.gz WBNMHWXGAWZTOT-ANQUJSFKSA-N 2 1 293.455 2.027 20 0 CEADMP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CCc2ccccc21 ZINC000404728360 414789170 /nfs/dbraw/zinc/78/91/70/414789170.db2.gz GGSQTLLSKLDBJS-PBHICJAKSA-N 2 1 288.435 2.103 20 0 CEADMP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CCc2ccccc21 ZINC000404728360 414789174 /nfs/dbraw/zinc/78/91/74/414789174.db2.gz GGSQTLLSKLDBJS-PBHICJAKSA-N 2 1 288.435 2.103 20 0 CEADMP CC(C)O[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000404647855 414789229 /nfs/dbraw/zinc/78/92/29/414789229.db2.gz PDIQWUHURPGNSP-CABCVRRESA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+](CC)CC(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000652755479 414780897 /nfs/dbraw/zinc/78/08/97/414780897.db2.gz GWVVGIDEJAUCNS-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP C[C@H]1CCC[N@H+](CC(=O)N(C)C2CCCCC2)[C@@H]1CC[NH3+] ZINC000404350218 414782160 /nfs/dbraw/zinc/78/21/60/414782160.db2.gz IULIPMKEEMKRLE-GOEBONIOSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@H]1CCC[N@@H+](CC(=O)N(C)C2CCCCC2)[C@@H]1CC[NH3+] ZINC000404350218 414782162 /nfs/dbraw/zinc/78/21/62/414782162.db2.gz IULIPMKEEMKRLE-GOEBONIOSA-N 2 1 295.471 2.227 20 0 CEADMP Cc1ncc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000657103472 414783398 /nfs/dbraw/zinc/78/33/98/414783398.db2.gz UMRRKJIIOVBMNW-UHFFFAOYSA-N 2 1 289.379 2.213 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)[C@@H]1CC[NH3+] ZINC000404401985 414783765 /nfs/dbraw/zinc/78/37/65/414783765.db2.gz RUQQZARUBJCRNU-GDBMZVCRSA-N 2 1 289.423 2.465 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000404434224 414783969 /nfs/dbraw/zinc/78/39/69/414783969.db2.gz QIWQHUZBYHVWMT-MLGOLLRUSA-N 2 1 277.412 2.348 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404440969 414784232 /nfs/dbraw/zinc/78/42/32/414784232.db2.gz UQSAWTGKKUUHQX-JQWIXIFHSA-N 2 1 253.415 2.401 20 0 CEADMP C[NH+](C)[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1CC1 ZINC000121338396 414784875 /nfs/dbraw/zinc/78/48/75/414784875.db2.gz JPGYKWRTLSHCFJ-VGWMRTNUSA-N 2 1 278.440 2.264 20 0 CEADMP CCCn1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cn1 ZINC000404490451 414785240 /nfs/dbraw/zinc/78/52/40/414785240.db2.gz AMRRCBCGVVLAIF-HIFRSBDPSA-N 2 1 264.417 2.242 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccc(OC)cc2OC)CC[C@@H]1[NH3+] ZINC000122319063 414789640 /nfs/dbraw/zinc/78/96/40/414789640.db2.gz BFZMGMNFIOSEBI-DOMZBBRYSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2OC)CC[C@@H]1[NH3+] ZINC000122319063 414789645 /nfs/dbraw/zinc/78/96/45/414789645.db2.gz BFZMGMNFIOSEBI-DOMZBBRYSA-N 2 1 278.396 2.263 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C1CCCC1 ZINC000311926770 414862820 /nfs/dbraw/zinc/86/28/20/414862820.db2.gz HJPDTOKZYLRUPY-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000311926770 414862823 /nfs/dbraw/zinc/86/28/23/414862823.db2.gz HJPDTOKZYLRUPY-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000311926770 414862826 /nfs/dbraw/zinc/86/28/26/414862826.db2.gz HJPDTOKZYLRUPY-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653110541 414908390 /nfs/dbraw/zinc/90/83/90/414908390.db2.gz LSEXADLDGMGARV-HRCADAONSA-N 2 1 295.471 2.275 20 0 CEADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000663344216 414920838 /nfs/dbraw/zinc/92/08/38/414920838.db2.gz PHSIEWMCVDLDGX-HNNXBMFYSA-N 2 1 289.423 2.302 20 0 CEADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000663344216 414920844 /nfs/dbraw/zinc/92/08/44/414920844.db2.gz PHSIEWMCVDLDGX-HNNXBMFYSA-N 2 1 289.423 2.302 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH2+][C@@H]1C)C1CCCCC1 ZINC000653200341 414943436 /nfs/dbraw/zinc/94/34/36/414943436.db2.gz AXZODFASENJHGS-GDBMZVCRSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)=CCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000660676571 414930740 /nfs/dbraw/zinc/93/07/40/414930740.db2.gz KPPWCQQDVLYDOQ-UHFFFAOYSA-N 2 1 254.418 2.168 20 0 CEADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000657434395 414934118 /nfs/dbraw/zinc/93/41/18/414934118.db2.gz HJQWFBWAZPCBMZ-QLFBSQMISA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000657434395 414934121 /nfs/dbraw/zinc/93/41/21/414934121.db2.gz HJQWFBWAZPCBMZ-QLFBSQMISA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000653176165 414936562 /nfs/dbraw/zinc/93/65/62/414936562.db2.gz LTCALPXXEQDZRW-HNNXBMFYSA-N 2 1 297.487 2.106 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000653176365 414937969 /nfs/dbraw/zinc/93/79/69/414937969.db2.gz RNJDTUIAGBOBTN-INIZCTEOSA-N 2 1 291.439 2.171 20 0 CEADMP CC[C@H]1CCC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000657346791 414874544 /nfs/dbraw/zinc/87/45/44/414874544.db2.gz OEACLYBACBVUDR-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CO1 ZINC000657347682 414877397 /nfs/dbraw/zinc/87/73/97/414877397.db2.gz DWFNKKPCSSJBPC-RRFJBIMHSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(C2CC2)cnn1C ZINC000657374851 414895525 /nfs/dbraw/zinc/89/55/25/414895525.db2.gz SDOAZDHELJZJST-UHFFFAOYSA-N 2 1 287.411 2.372 20 0 CEADMP CC(C)[C@H]([NH3+])CCNC1CC[NH+](Cc2ccncc2)CC1 ZINC000663500779 414971490 /nfs/dbraw/zinc/97/14/90/414971490.db2.gz VRRQBKHJQZDIJK-QGZVFWFLSA-N 2 1 290.455 2.009 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1ccc2c(c1)CCO2 ZINC000653279991 414974324 /nfs/dbraw/zinc/97/43/24/414974324.db2.gz RXKDSGBVLMFDOB-XJKSGUPXSA-N 2 1 274.408 2.366 20 0 CEADMP C([NH2+][C@H]1COC2(CCC2)C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466106 414963322 /nfs/dbraw/zinc/96/33/22/414963322.db2.gz OCAXPXQRQSWGFR-HZPDHXFCSA-N 2 1 278.440 2.410 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657694018 415049702 /nfs/dbraw/zinc/04/97/02/415049702.db2.gz JKPIKHZKEFZNQV-ULQDDVLXSA-N 2 1 279.472 2.323 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000653612767 415054366 /nfs/dbraw/zinc/05/43/66/415054366.db2.gz DYFPZOVPYFUZHE-OAHLLOKOSA-N 2 1 277.412 2.101 20 0 CEADMP C[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[N@H+](C2CC2)C1 ZINC000663945520 415098018 /nfs/dbraw/zinc/09/80/18/415098018.db2.gz LPSSRVMWHGFTML-LBPRGKRZSA-N 2 1 270.380 2.483 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000653777835 415103074 /nfs/dbraw/zinc/10/30/74/415103074.db2.gz XNEQCHGFPYIEME-OWCLPIDISA-N 2 1 282.472 2.447 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000653777835 415103079 /nfs/dbraw/zinc/10/30/79/415103079.db2.gz XNEQCHGFPYIEME-OWCLPIDISA-N 2 1 282.472 2.447 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000653777835 415103082 /nfs/dbraw/zinc/10/30/82/415103082.db2.gz XNEQCHGFPYIEME-OWCLPIDISA-N 2 1 282.472 2.447 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCn3nccc32)C1 ZINC000658036114 415166664 /nfs/dbraw/zinc/16/66/64/415166664.db2.gz UQVQCEDNMGOAQN-KGLIPLIRSA-N 2 1 262.401 2.040 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000658063444 415184339 /nfs/dbraw/zinc/18/43/39/415184339.db2.gz VPFYIZQDBQWHBG-YHUYYLMFSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000658063444 415184345 /nfs/dbraw/zinc/18/43/45/415184345.db2.gz VPFYIZQDBQWHBG-YHUYYLMFSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000658063444 415184355 /nfs/dbraw/zinc/18/43/55/415184355.db2.gz VPFYIZQDBQWHBG-YHUYYLMFSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000658063444 415184365 /nfs/dbraw/zinc/18/43/65/415184365.db2.gz VPFYIZQDBQWHBG-YHUYYLMFSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000658063444 415184371 /nfs/dbraw/zinc/18/43/71/415184371.db2.gz VPFYIZQDBQWHBG-YHUYYLMFSA-N 2 1 279.472 2.322 20 0 CEADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000044498881 175184357 /nfs/dbraw/zinc/18/43/57/175184357.db2.gz AOIAWVQKCKZGOL-STQMWFEESA-N 2 1 262.401 2.038 20 0 CEADMP C[N@@H+](CC(=O)Nc1cccc(C[NH3+])c1)CC(C)(C)C ZINC000045068438 175300025 /nfs/dbraw/zinc/30/00/25/175300025.db2.gz KDDGOSMZHZFNTK-UHFFFAOYSA-N 2 1 263.385 2.062 20 0 CEADMP Cc1cc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)nc(C2CC2)n1 ZINC000664245800 415241830 /nfs/dbraw/zinc/24/18/30/415241830.db2.gz XYPSSIKWONNQFQ-OLZOCXBDSA-N 2 1 290.411 2.184 20 0 CEADMP Cc1cc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)nc(C2CC2)n1 ZINC000664245800 415241838 /nfs/dbraw/zinc/24/18/38/415241838.db2.gz XYPSSIKWONNQFQ-OLZOCXBDSA-N 2 1 290.411 2.184 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCOC1 ZINC000658229486 415265598 /nfs/dbraw/zinc/26/55/98/415265598.db2.gz RYUQAWZQHXNDHZ-KKUMJFAQSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCOC1 ZINC000658229486 415265600 /nfs/dbraw/zinc/26/56/00/415265600.db2.gz RYUQAWZQHXNDHZ-KKUMJFAQSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661469611 415274841 /nfs/dbraw/zinc/27/48/41/415274841.db2.gz OERTUWRHNIKTMY-ZDUSSCGKSA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661469611 415274844 /nfs/dbraw/zinc/27/48/44/415274844.db2.gz OERTUWRHNIKTMY-ZDUSSCGKSA-N 2 1 263.385 2.225 20 0 CEADMP CCN1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000658356602 415336158 /nfs/dbraw/zinc/33/61/58/415336158.db2.gz JZTHCALGKXYUJK-UHFFFAOYSA-N 2 1 279.472 2.182 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C1CC[NH+](CC2CC2)CC1 ZINC000658353828 415337737 /nfs/dbraw/zinc/33/77/37/415337737.db2.gz SFRRNQLROGBKSR-UHFFFAOYSA-N 3 1 291.483 2.325 20 0 CEADMP Cc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655729364 415419301 /nfs/dbraw/zinc/41/93/01/415419301.db2.gz FNLSCWJXPYKLNK-SFHVURJKSA-N 2 1 288.435 2.380 20 0 CEADMP C[C@H](O)CC(C)(C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655728774 415419437 /nfs/dbraw/zinc/41/94/37/415419437.db2.gz CLSYBSJNPSHIOQ-HOCLYGCPSA-N 2 1 298.471 2.017 20 0 CEADMP c1cc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cs1 ZINC000655685959 415385897 /nfs/dbraw/zinc/38/58/97/415385897.db2.gz VGNCRDOOTQQRBY-HNNXBMFYSA-N 2 1 280.437 2.134 20 0 CEADMP c1csc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655690273 415390933 /nfs/dbraw/zinc/39/09/33/415390933.db2.gz KHULELYIMNKXNF-AWEZNQCLSA-N 2 1 280.437 2.134 20 0 CEADMP CN(C)c1cc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc[nH+]1 ZINC000659285876 415489720 /nfs/dbraw/zinc/48/97/20/415489720.db2.gz STPYHVCXWIOLHB-OAHLLOKOSA-N 2 1 296.374 2.321 20 0 CEADMP CC1(C)C[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655741110 415431385 /nfs/dbraw/zinc/43/13/85/415431385.db2.gz FIXIRSAUNFRLIH-KBPBESRZSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661855831 415501907 /nfs/dbraw/zinc/50/19/07/415501907.db2.gz DKHLOZLNKYJDOY-OLZOCXBDSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661855831 415501913 /nfs/dbraw/zinc/50/19/13/415501913.db2.gz DKHLOZLNKYJDOY-OLZOCXBDSA-N 2 1 251.374 2.081 20 0 CEADMP CO[C@@](C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000655770121 415448896 /nfs/dbraw/zinc/44/88/96/415448896.db2.gz YRFPDROEXBZSKE-IRXDYDNUSA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)OC ZINC000655773276 415451186 /nfs/dbraw/zinc/45/11/86/415451186.db2.gz UHXNLFSGMVAOAG-UAGQMJEPSA-N 2 1 298.471 2.281 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCn2ccnc21)C1CC1 ZINC000655775264 415456495 /nfs/dbraw/zinc/45/64/95/415456495.db2.gz VBLLFWHZGFNAGN-CQSZACIVSA-N 2 1 262.401 2.182 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H](O)C(C)C ZINC000655776876 415457832 /nfs/dbraw/zinc/45/78/32/415457832.db2.gz PTLQMKKLLSEAND-YESZJQIVSA-N 2 1 298.471 2.015 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000664718229 415459261 /nfs/dbraw/zinc/45/92/61/415459261.db2.gz AMGGJAQNGCGDHA-CYBMUJFWSA-N 2 1 285.476 2.247 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000655785260 415464924 /nfs/dbraw/zinc/46/49/24/415464924.db2.gz IUFHYGPGGXBGBF-HZPDHXFCSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)CC[N@@H+]1C ZINC000655838342 415510898 /nfs/dbraw/zinc/51/08/98/415510898.db2.gz AIGJBDPJCDLSGJ-XUXIUFHCSA-N 2 1 254.418 2.405 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)CC[N@H+]1C ZINC000655838342 415510908 /nfs/dbraw/zinc/51/09/08/415510908.db2.gz AIGJBDPJCDLSGJ-XUXIUFHCSA-N 2 1 254.418 2.405 20 0 CEADMP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655848895 415515318 /nfs/dbraw/zinc/51/53/18/415515318.db2.gz LBJNMBUAUOOTOA-ZWKOTPCHSA-N 2 1 291.483 2.467 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCCCO1 ZINC000655850651 415518595 /nfs/dbraw/zinc/51/85/95/415518595.db2.gz YGWZQEKSHPIHSO-KBXIAJHMSA-N 2 1 254.418 2.406 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCCCO1 ZINC000655850651 415518603 /nfs/dbraw/zinc/51/86/03/415518603.db2.gz YGWZQEKSHPIHSO-KBXIAJHMSA-N 2 1 254.418 2.406 20 0 CEADMP C1CC1[NH+]1CCC(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655850416 415519393 /nfs/dbraw/zinc/51/93/93/415519393.db2.gz IOEFKXOEMPOALK-SJORKVTESA-N 2 1 277.456 2.220 20 0 CEADMP C[N@@H+](CCc1noc2ccccc21)C1CC[NH2+]CC1 ZINC000655936921 415556780 /nfs/dbraw/zinc/55/67/80/415556780.db2.gz PUWDGQZVXRDKMW-UHFFFAOYSA-N 2 1 259.353 2.054 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)C1CCC(F)CC1 ZINC000661998308 415565607 /nfs/dbraw/zinc/56/56/07/415565607.db2.gz JDEBDUFEOLIVHD-HIFPTAJRSA-N 2 1 253.365 2.469 20 0 CEADMP C[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1c[nH+]ccc1N ZINC000665236377 415639380 /nfs/dbraw/zinc/63/93/80/415639380.db2.gz LLISNDRCHUBVRS-NWDGAFQWSA-N 2 1 262.401 2.018 20 0 CEADMP C[C@H]1COCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254670 415654614 /nfs/dbraw/zinc/65/46/14/415654614.db2.gz WMWREUVQSIUQIR-WBQNTZJQSA-N 2 1 292.398 2.286 20 0 CEADMP CC[C@H]([NH2+][C@H]1COc2cc(F)ccc2C1)[C@@H]1CCC[NH2+]1 ZINC000665266649 415658411 /nfs/dbraw/zinc/65/84/11/415658411.db2.gz GUZBNKMQFFLJAT-ILXRZTDVSA-N 2 1 278.371 2.249 20 0 CEADMP O[C@@H]1CC[N@@H+](C2CC[NH+]([C@H]3CCc4ccccc43)CC2)C1 ZINC000662152734 415658850 /nfs/dbraw/zinc/65/88/50/415658850.db2.gz YRDJFEYRVNEWLL-AEFFLSMTSA-N 2 1 286.419 2.205 20 0 CEADMP O[C@@H]1CC[N@H+](C2CC[NH+]([C@H]3CCc4ccccc43)CC2)C1 ZINC000662152734 415658857 /nfs/dbraw/zinc/65/88/57/415658857.db2.gz YRDJFEYRVNEWLL-AEFFLSMTSA-N 2 1 286.419 2.205 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665267028 415662328 /nfs/dbraw/zinc/66/23/28/415662328.db2.gz ODVKKRMWMANNJQ-MELADBBJSA-N 2 1 253.434 2.109 20 0 CEADMP C[C@H](NCC12CC(C1)C[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665278816 415671143 /nfs/dbraw/zinc/67/11/43/415671143.db2.gz PLNWBKROIBPCMS-BARLLCKDSA-N 2 1 299.462 2.239 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)C[C@@H]1CCc2ccccc21)C1CC1 ZINC000662197948 415679553 /nfs/dbraw/zinc/67/95/53/415679553.db2.gz XNQCMANVRYJZPQ-DOTOQJQBSA-N 2 1 288.435 2.103 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)C[C@@H]1CCc2ccccc21)C1CC1 ZINC000662197948 415679560 /nfs/dbraw/zinc/67/95/60/415679560.db2.gz XNQCMANVRYJZPQ-DOTOQJQBSA-N 2 1 288.435 2.103 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCc2ccccc21 ZINC000662197948 415679562 /nfs/dbraw/zinc/67/95/62/415679562.db2.gz XNQCMANVRYJZPQ-DOTOQJQBSA-N 2 1 288.435 2.103 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCc2ccccc21 ZINC000662197948 415679569 /nfs/dbraw/zinc/67/95/69/415679569.db2.gz XNQCMANVRYJZPQ-DOTOQJQBSA-N 2 1 288.435 2.103 20 0 CEADMP C[C@@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnccc1N ZINC000665298855 415684265 /nfs/dbraw/zinc/68/42/65/415684265.db2.gz AZMGAFWADKFAPB-HIFRSBDPSA-N 3 1 288.439 2.267 20 0 CEADMP C[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnccc1N ZINC000665298855 415684273 /nfs/dbraw/zinc/68/42/73/415684273.db2.gz AZMGAFWADKFAPB-HIFRSBDPSA-N 3 1 288.439 2.267 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000071147570 176043170 /nfs/dbraw/zinc/04/31/70/176043170.db2.gz LMFJLMVLLVEXKR-ZDUSSCGKSA-N 2 1 255.365 2.276 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000071147570 176043172 /nfs/dbraw/zinc/04/31/72/176043172.db2.gz LMFJLMVLLVEXKR-ZDUSSCGKSA-N 2 1 255.365 2.276 20 0 CEADMP CC(C)[NH+]1CCC(NCC[N@@H+](C)C2CCCC2)CC1 ZINC000071376608 176141502 /nfs/dbraw/zinc/14/15/02/176141502.db2.gz MWMBFAJOZUHLTF-UHFFFAOYSA-N 2 1 267.461 2.323 20 0 CEADMP CC(C)(C)C[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254209 415720455 /nfs/dbraw/zinc/72/04/55/415720455.db2.gz OEWAKVUXNPLNTF-KBPBESRZSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)C[C@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256332 415724339 /nfs/dbraw/zinc/72/43/39/415724339.db2.gz KWKSYJYJPNHHEZ-HUUCEWRRSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)C[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256328 415724674 /nfs/dbraw/zinc/72/46/74/415724674.db2.gz KWKSYJYJPNHHEZ-CABCVRRESA-N 2 1 266.429 2.408 20 0 CEADMP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256579 415726104 /nfs/dbraw/zinc/72/61/04/415726104.db2.gz WADYVCCNVZSTML-RDJZCZTQSA-N 2 1 288.435 2.379 20 0 CEADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCCC1(C)C ZINC000662247189 415707244 /nfs/dbraw/zinc/70/72/44/415707244.db2.gz VDCHSSNEQVNWDT-OAHLLOKOSA-N 2 1 267.461 2.040 20 0 CEADMP CCC[N@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249956 415709848 /nfs/dbraw/zinc/70/98/48/415709848.db2.gz WHXPWDMVPMCJSV-MRXNPFEDSA-N 2 1 274.408 2.420 20 0 CEADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCc2ccccc21 ZINC000662248429 415711690 /nfs/dbraw/zinc/71/16/90/415711690.db2.gz BCGBAAKATNFWKY-GOEBONIOSA-N 2 1 272.392 2.127 20 0 CEADMP C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249434 415711891 /nfs/dbraw/zinc/71/18/91/415711891.db2.gz NOJCGVOFSOCBIE-CQSZACIVSA-N 2 1 280.799 2.293 20 0 CEADMP CC[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CCOC1 ZINC000662251471 415715417 /nfs/dbraw/zinc/71/54/17/415715417.db2.gz FCZBAICVPLGKKE-AWEZNQCLSA-N 2 1 274.408 2.191 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1CCC1 ZINC000662274134 415739913 /nfs/dbraw/zinc/73/99/13/415739913.db2.gz FDCOQBGGOKBYLR-BZUAXINKSA-N 2 1 266.429 2.123 20 0 CEADMP CCc1nocc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662274531 415742549 /nfs/dbraw/zinc/74/25/49/415742549.db2.gz VEDKGTMILGIHSC-STQMWFEESA-N 2 1 263.385 2.059 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)nc(C)n1 ZINC000662277493 415747320 /nfs/dbraw/zinc/74/73/20/415747320.db2.gz VJKLELQSNIHLJC-HOCLYGCPSA-N 2 1 274.412 2.057 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)nc(C)n1 ZINC000662277493 415747322 /nfs/dbraw/zinc/74/73/22/415747322.db2.gz VJKLELQSNIHLJC-HOCLYGCPSA-N 2 1 274.412 2.057 20 0 CEADMP CCc1nnc([C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000662273562 415737688 /nfs/dbraw/zinc/73/76/88/415737688.db2.gz OIVRFUKUWPTIRF-MELADBBJSA-N 2 1 291.443 2.140 20 0 CEADMP CCc1nocc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662273241 415738704 /nfs/dbraw/zinc/73/87/04/415738704.db2.gz KSARYJBHAQMGHK-UONOGXRCSA-N 2 1 277.412 2.449 20 0 CEADMP Cc1cccc(C)c1[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000662296898 415759987 /nfs/dbraw/zinc/75/99/87/415759987.db2.gz WLEQVZKMWWHAJF-OAHLLOKOSA-N 2 1 262.397 2.416 20 0 CEADMP CCc1cnc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000662294223 415760090 /nfs/dbraw/zinc/76/00/90/415760090.db2.gz PXASKYXRFJABDV-AWEZNQCLSA-N 2 1 277.412 2.449 20 0 CEADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296067 415760138 /nfs/dbraw/zinc/76/01/38/415760138.db2.gz JWPYXWATBJHZRO-UKRRQHHQSA-N 2 1 295.471 2.001 20 0 CEADMP CCc1noc([C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662294442 415760422 /nfs/dbraw/zinc/76/04/22/415760422.db2.gz WCUVBAKWNQPIJY-JSGCOSHPSA-N 2 1 292.427 2.405 20 0 CEADMP OCC[C@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000662299685 415761717 /nfs/dbraw/zinc/76/17/17/415761717.db2.gz VIWHTRRUWDACOI-OAHLLOKOSA-N 2 1 254.418 2.003 20 0 CEADMP CCC[N@@H+](CCOCC[NH3+])Cc1ccccc1F ZINC000662312072 415772271 /nfs/dbraw/zinc/77/22/71/415772271.db2.gz FWPNMYZJAYOLPE-UHFFFAOYSA-N 2 1 254.349 2.013 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310814 415772721 /nfs/dbraw/zinc/77/27/21/415772721.db2.gz NFWHJIVVLCCEAK-YESZJQIVSA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310814 415772726 /nfs/dbraw/zinc/77/27/26/415772726.db2.gz NFWHJIVVLCCEAK-YESZJQIVSA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310814 415772730 /nfs/dbraw/zinc/77/27/30/415772730.db2.gz NFWHJIVVLCCEAK-YESZJQIVSA-N 2 1 278.440 2.363 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]1CCC[NH3+] ZINC000662314384 415773425 /nfs/dbraw/zinc/77/34/25/415773425.db2.gz CIMBUSHWXFSERX-OWCLPIDISA-N 3 1 267.461 2.216 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCc2cncn2C)[C@@H]1CCC[NH3+] ZINC000662315079 415773866 /nfs/dbraw/zinc/77/38/66/415773866.db2.gz QMYHLSJWDPMPTH-GDBMZVCRSA-N 2 1 278.444 2.192 20 0 CEADMP C[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)[C@@H]1CCC[NH3+] ZINC000662315079 415773872 /nfs/dbraw/zinc/77/38/72/415773872.db2.gz QMYHLSJWDPMPTH-GDBMZVCRSA-N 3 1 278.444 2.192 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)[C@@H]1CCC[NH3+] ZINC000662315079 415773877 /nfs/dbraw/zinc/77/38/77/415773877.db2.gz QMYHLSJWDPMPTH-GDBMZVCRSA-N 3 1 278.444 2.192 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC3CC=CC3)C2)C1 ZINC000662285499 415751459 /nfs/dbraw/zinc/75/14/59/415751459.db2.gz KRJDPNUZALIORR-ARFHVFGLSA-N 2 1 264.413 2.171 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC2CC=CC2)C1 ZINC000662284131 415752495 /nfs/dbraw/zinc/75/24/95/415752495.db2.gz LRZZKBKYPXLJOX-BZUAXINKSA-N 2 1 264.413 2.313 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC3CC=CC3)C2)C1 ZINC000662285501 415752562 /nfs/dbraw/zinc/75/25/62/415752562.db2.gz KRJDPNUZALIORR-BZUAXINKSA-N 2 1 264.413 2.171 20 0 CEADMP c1ccc(CCC[C@H]2CCC[N@H+]2C[C@@H]2CNCCO2)cc1 ZINC000662283833 415752686 /nfs/dbraw/zinc/75/26/86/415752686.db2.gz CXVLUIZDARXEAA-ROUUACIJSA-N 2 1 288.435 2.462 20 0 CEADMP Cc1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)o1 ZINC000662293384 415754514 /nfs/dbraw/zinc/75/45/14/415754514.db2.gz RJBRQIIOPZGBBK-AWEZNQCLSA-N 2 1 263.385 2.195 20 0 CEADMP FC(F)(F)COCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296468 415759276 /nfs/dbraw/zinc/75/92/76/415759276.db2.gz KQRBTGOWTJMIGZ-ZDUSSCGKSA-N 2 1 294.361 2.277 20 0 CEADMP CCC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000659999796 415840399 /nfs/dbraw/zinc/84/03/99/415840399.db2.gz HMQCHLZGGKQSCB-CABCVRRESA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000659999796 415840403 /nfs/dbraw/zinc/84/04/03/415840403.db2.gz HMQCHLZGGKQSCB-CABCVRRESA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000659999796 415840411 /nfs/dbraw/zinc/84/04/11/415840411.db2.gz HMQCHLZGGKQSCB-CABCVRRESA-N 2 1 256.434 2.200 20 0 CEADMP CCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327248 415784562 /nfs/dbraw/zinc/78/45/62/415784562.db2.gz HGPMTYKKSAOYNE-UHFFFAOYSA-N 2 1 276.428 2.466 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000659946596 415799645 /nfs/dbraw/zinc/79/96/45/415799645.db2.gz GJIRKIRHYFVZJF-KSZLIROESA-N 2 1 293.499 2.382 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccc(OC)cc1 ZINC000656689716 415812557 /nfs/dbraw/zinc/81/25/57/415812557.db2.gz BGDHUQWTAHBKSM-NVXWUHKLSA-N 2 1 294.439 2.437 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccc(OC)cc1 ZINC000656689716 415812563 /nfs/dbraw/zinc/81/25/63/415812563.db2.gz BGDHUQWTAHBKSM-NVXWUHKLSA-N 2 1 294.439 2.437 20 0 CEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@@H]3CCC[C@H]3O)C2)c1 ZINC000656696782 415819584 /nfs/dbraw/zinc/81/95/84/415819584.db2.gz LRMSCRAVVOTQSZ-RRFJBIMHSA-N 2 1 275.396 2.037 20 0 CEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@@H]3CCC[C@H]3O)C2)c1 ZINC000656696782 415819589 /nfs/dbraw/zinc/81/95/89/415819589.db2.gz LRMSCRAVVOTQSZ-RRFJBIMHSA-N 2 1 275.396 2.037 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2COC(C)(C)C2)C1 ZINC000659982813 415824646 /nfs/dbraw/zinc/82/46/46/415824646.db2.gz XMRKVJKSLLCZIB-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659982813 415824650 /nfs/dbraw/zinc/82/46/50/415824650.db2.gz XMRKVJKSLLCZIB-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659982813 415824656 /nfs/dbraw/zinc/82/46/56/415824656.db2.gz XMRKVJKSLLCZIB-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000662669420 415925795 /nfs/dbraw/zinc/92/57/95/415925795.db2.gz YQNAZTGGVXEHTR-KFWWJZLASA-N 2 1 293.455 2.027 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)NCC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000662729085 415946252 /nfs/dbraw/zinc/94/62/52/415946252.db2.gz ZZSPHEGDFFXFNY-HZPDHXFCSA-N 2 1 291.439 2.169 20 0 CEADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128479086 287378449 /nfs/dbraw/zinc/37/84/49/287378449.db2.gz QDGJKVDAJQNGIC-HZPDHXFCSA-N 2 1 281.488 2.428 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000567274562 299048455 /nfs/dbraw/zinc/04/84/55/299048455.db2.gz ZWUSSBLPHNVDNP-CVEARBPZSA-N 2 1 295.471 2.289 20 0 CEADMP CCn1cncc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000417910522 227153182 /nfs/dbraw/zinc/15/31/82/227153182.db2.gz KCCNMIQNWJGBRX-AWEZNQCLSA-N 2 1 264.417 2.113 20 0 CEADMP CCn1cncc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000417910522 227153186 /nfs/dbraw/zinc/15/31/86/227153186.db2.gz KCCNMIQNWJGBRX-AWEZNQCLSA-N 2 1 264.417 2.113 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770446 419425811 /nfs/dbraw/zinc/42/58/11/419425811.db2.gz AGTVOFWAXOCRIV-TZMCWYRMSA-N 2 1 250.361 2.488 20 0 CEADMP c1cc(CCC[NH2+]C[C@@H]2CCCC[NH2+]2)cc2c1OCC2 ZINC000666770866 419426053 /nfs/dbraw/zinc/42/60/53/419426053.db2.gz WIYLWNVPUCDKQZ-INIZCTEOSA-N 2 1 274.408 2.286 20 0 CEADMP Cc1ccncc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000135498547 419440347 /nfs/dbraw/zinc/44/03/47/419440347.db2.gz GUDUKKPZDMXNFK-HOCLYGCPSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ccncc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000135498547 419440359 /nfs/dbraw/zinc/44/03/59/419440359.db2.gz GUDUKKPZDMXNFK-HOCLYGCPSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc12 ZINC000666968807 419499055 /nfs/dbraw/zinc/49/90/55/419499055.db2.gz HFZVTJLNOWOYHJ-GDBMZVCRSA-N 2 1 299.422 2.230 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998525 419507424 /nfs/dbraw/zinc/50/74/24/419507424.db2.gz ZHFQFSSLBWBXRP-CYBMUJFWSA-N 2 1 276.428 2.472 20 0 CEADMP Cc1cc(C)n2c(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cnc2n1 ZINC000666996870 419508303 /nfs/dbraw/zinc/50/83/03/419508303.db2.gz JRJNIKWIVPMQGZ-CQSZACIVSA-N 2 1 299.422 2.110 20 0 CEADMP COCc1csc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000667628890 419741230 /nfs/dbraw/zinc/74/12/30/419741230.db2.gz SYCQYBKPSXRUMT-LBPRGKRZSA-N 2 1 268.426 2.278 20 0 CEADMP COCc1csc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000667628890 419741237 /nfs/dbraw/zinc/74/12/37/419741237.db2.gz SYCQYBKPSXRUMT-LBPRGKRZSA-N 2 1 268.426 2.278 20 0 CEADMP C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667649585 419746588 /nfs/dbraw/zinc/74/65/88/419746588.db2.gz XMJUEBHOOIJBEV-DZGCQCFKSA-N 2 1 286.379 2.003 20 0 CEADMP C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667649585 419746594 /nfs/dbraw/zinc/74/65/94/419746594.db2.gz XMJUEBHOOIJBEV-DZGCQCFKSA-N 2 1 286.379 2.003 20 0 CEADMP Cc1[nH+]cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)n1C ZINC000667659097 419758013 /nfs/dbraw/zinc/75/80/13/419758013.db2.gz ZOPNXRQAJGVKBK-OAHLLOKOSA-N 2 1 276.428 2.179 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)CC[NH2+]1 ZINC000666649581 419762089 /nfs/dbraw/zinc/76/20/89/419762089.db2.gz DNWMDHWEWKSPNF-VNHYZAJKSA-N 2 1 276.428 2.117 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)n(-c2cc[nH+]cc2)n1 ZINC000667694882 419772089 /nfs/dbraw/zinc/77/20/89/419772089.db2.gz BKSCIKBJRCDMGX-PBHICJAKSA-N 2 1 298.390 2.268 20 0 CEADMP Cn1ncc(C2CCC2)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000667597613 419723468 /nfs/dbraw/zinc/72/34/68/419723468.db2.gz UADJTRMJGBWAID-UHFFFAOYSA-N 2 1 290.455 2.461 20 0 CEADMP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1([NH+]2CCCC2)CCOCC1 ZINC000667851417 419828960 /nfs/dbraw/zinc/82/89/60/419828960.db2.gz MQPNKJYCPLLGJK-PMPSAXMXSA-N 2 1 278.440 2.410 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000390149366 262141779 /nfs/dbraw/zinc/14/17/79/262141779.db2.gz SPWBTFCVOZKMDU-YOEHRIQHSA-N 2 1 284.407 2.243 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000390149366 262141782 /nfs/dbraw/zinc/14/17/82/262141782.db2.gz SPWBTFCVOZKMDU-YOEHRIQHSA-N 2 1 284.407 2.243 20 0 CEADMP CCOC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000521426718 262328601 /nfs/dbraw/zinc/32/86/01/262328601.db2.gz MLIILJTWPGHPQU-KRWDZBQOSA-N 2 1 294.439 2.014 20 0 CEADMP FC(F)n1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000414775677 263043930 /nfs/dbraw/zinc/04/39/30/263043930.db2.gz GLROHYCWGIGXRC-VXGBXAGGSA-N 2 1 284.354 2.100 20 0 CEADMP FC(F)n1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000414775677 263043931 /nfs/dbraw/zinc/04/39/31/263043931.db2.gz GLROHYCWGIGXRC-VXGBXAGGSA-N 2 1 284.354 2.100 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000425413039 264291312 /nfs/dbraw/zinc/29/13/12/264291312.db2.gz ATRGWUBJMGFXSD-USXIJHARSA-N 2 1 278.440 2.360 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000044532896 270229682 /nfs/dbraw/zinc/22/96/82/270229682.db2.gz PZUQEKCTZDLFNL-INIZCTEOSA-N 2 1 284.407 2.304 20 0 CEADMP C[C@@H](CCC1CC1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000186322493 270249114 /nfs/dbraw/zinc/24/91/14/270249114.db2.gz FWZSVWKENWGYFJ-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP CCC1(CC)CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000227488306 270310554 /nfs/dbraw/zinc/31/05/54/270310554.db2.gz FUSXPEJYSFDYDZ-IRXDYDNUSA-N 2 1 290.451 2.429 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395085961 270344875 /nfs/dbraw/zinc/34/48/75/270344875.db2.gz CUOSERRVWZBJMC-SZMVWBNQSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(C)(C)[NH3+] ZINC000398081331 270355481 /nfs/dbraw/zinc/35/54/81/270355481.db2.gz BCSMAKYMEXQBAA-ZBFHGGJFSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H]1C[C@@H](N[C@H]2CCC[NH2+][C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000398030489 270355574 /nfs/dbraw/zinc/35/55/74/270355574.db2.gz NGTIWYIDNGAXRU-ONIAQPFYSA-N 2 1 287.451 2.380 20 0 CEADMP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H](C)[NH3+] ZINC000399385222 270369031 /nfs/dbraw/zinc/36/90/31/270369031.db2.gz KXXNIMNEOBNRMY-GDBMZVCRSA-N 2 1 297.487 2.377 20 0 CEADMP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000418467127 270378346 /nfs/dbraw/zinc/37/83/46/270378346.db2.gz OPCLVNFCHHTWSD-RRFJBIMHSA-N 2 1 298.475 2.018 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCc1ccc2c(c1)CCO2 ZINC000420372583 270530605 /nfs/dbraw/zinc/53/06/05/270530605.db2.gz YJZIBESEGHDUAW-OAHLLOKOSA-N 2 1 262.397 2.127 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423144564 270849748 /nfs/dbraw/zinc/84/97/48/270849748.db2.gz YYVUEJVSZLFRSN-WLYUNCDWSA-N 3 1 255.450 2.214 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423144564 270849749 /nfs/dbraw/zinc/84/97/49/270849749.db2.gz YYVUEJVSZLFRSN-WLYUNCDWSA-N 3 1 255.450 2.214 20 0 CEADMP Cc1ncc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(C)n1 ZINC000423213968 270872530 /nfs/dbraw/zinc/87/25/30/270872530.db2.gz KUYBOVQDPBTQRJ-UHIISALHSA-N 2 1 262.401 2.132 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000423277293 270887470 /nfs/dbraw/zinc/88/74/70/270887470.db2.gz PRRAWFJTBPREHF-NOZJJQNGSA-N 2 1 254.324 2.397 20 0 CEADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423286038 270889674 /nfs/dbraw/zinc/88/96/74/270889674.db2.gz ZGNZUHNLBKVHFN-ZUZCIYMTSA-N 2 1 261.369 2.033 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCC[C@H]2C(C)(C)C)n1C ZINC000425322626 271155429 /nfs/dbraw/zinc/15/54/29/271155429.db2.gz HTBQREWYGVPBCY-ZDUSSCGKSA-N 2 1 264.417 2.497 20 0 CEADMP CS[C@@H]1CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000425342417 271157111 /nfs/dbraw/zinc/15/71/11/271157111.db2.gz HFCAWZANHBZZRB-YEKKKDRXSA-N 2 1 254.443 2.485 20 0 CEADMP CS[C@@H]1CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000425342417 271157117 /nfs/dbraw/zinc/15/71/17/271157117.db2.gz HFCAWZANHBZZRB-YEKKKDRXSA-N 2 1 254.443 2.485 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@]1(C)CCCO1 ZINC000428215345 271246500 /nfs/dbraw/zinc/24/65/00/271246500.db2.gz AXYRLKKUVKNCAM-YDHLFZDLSA-N 2 1 252.402 2.018 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000428513577 271276565 /nfs/dbraw/zinc/27/65/65/271276565.db2.gz UOFSUZOJGDGUPJ-RRFJBIMHSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430565900 271393220 /nfs/dbraw/zinc/39/32/20/271393220.db2.gz BKSARBYKHUZLRC-KBPBESRZSA-N 2 1 256.434 2.498 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000430563811 271390066 /nfs/dbraw/zinc/39/00/66/271390066.db2.gz KDUYNPHNMGGUIK-GYTBAZASSA-N 2 1 297.487 2.375 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000430563811 271390070 /nfs/dbraw/zinc/39/00/70/271390070.db2.gz KDUYNPHNMGGUIK-GYTBAZASSA-N 2 1 297.487 2.375 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000430577473 271394886 /nfs/dbraw/zinc/39/48/86/271394886.db2.gz NSRRRQGKHZMRIS-HUUCEWRRSA-N 2 1 285.476 2.326 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000430577473 271394890 /nfs/dbraw/zinc/39/48/90/271394890.db2.gz NSRRRQGKHZMRIS-HUUCEWRRSA-N 2 1 285.476 2.326 20 0 CEADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430591450 271396716 /nfs/dbraw/zinc/39/67/16/271396716.db2.gz FROQYHJDEYPSQC-JKJDWNRSSA-N 2 1 295.471 2.129 20 0 CEADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430591450 271396719 /nfs/dbraw/zinc/39/67/19/271396719.db2.gz FROQYHJDEYPSQC-JKJDWNRSSA-N 2 1 295.471 2.129 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000430598474 271397500 /nfs/dbraw/zinc/39/75/00/271397500.db2.gz OKITYKICTRXNBU-JJCQNKCGSA-N 2 1 295.471 2.129 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000430598474 271397506 /nfs/dbraw/zinc/39/75/06/271397506.db2.gz OKITYKICTRXNBU-JJCQNKCGSA-N 2 1 295.471 2.129 20 0 CEADMP COc1cc(C)nc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000347692815 274092688 /nfs/dbraw/zinc/09/26/88/274092688.db2.gz VZPQHEIAWONFAK-LBPRGKRZSA-N 2 1 288.395 2.329 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C2 ZINC000414180534 274154407 /nfs/dbraw/zinc/15/44/07/274154407.db2.gz LLKWKPMIVMRFDX-YOKBYHGQSA-N 2 1 288.435 2.481 20 0 CEADMP C[C@@H](C[NH2+]Cc1cccc2c1OCCCO2)C[NH+](C)C ZINC000291794577 274224797 /nfs/dbraw/zinc/22/47/97/274224797.db2.gz WPMYMHWTWDOHRA-ZDUSSCGKSA-N 2 1 278.396 2.135 20 0 CEADMP O[C@@H]1c2ccccc2C[C@H]1[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182793230 275055852 /nfs/dbraw/zinc/05/58/52/275055852.db2.gz OWBBYAHKQRUZHR-ZTFGCOKTSA-N 2 1 286.419 2.062 20 0 CEADMP C([NH2+]CC1CCCCCC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252564831 275394885 /nfs/dbraw/zinc/39/48/85/275394885.db2.gz YICLFRDTLRWMTK-JKSUJKDBSA-N 2 1 266.429 2.410 20 0 CEADMP C([NH2+]CC1CCCCCC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252564831 275394886 /nfs/dbraw/zinc/39/48/86/275394886.db2.gz YICLFRDTLRWMTK-JKSUJKDBSA-N 2 1 266.429 2.410 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]CCC(C)(C)C(=O)OC ZINC000348833238 276008903 /nfs/dbraw/zinc/00/89/03/276008903.db2.gz LQDQCAAXKWMBIU-CYBMUJFWSA-N 2 1 270.417 2.040 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]CCC(C)(C)C(=O)OC ZINC000348833238 276008904 /nfs/dbraw/zinc/00/89/04/276008904.db2.gz LQDQCAAXKWMBIU-CYBMUJFWSA-N 2 1 270.417 2.040 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000353994893 276011932 /nfs/dbraw/zinc/01/19/32/276011932.db2.gz DNMALISJSNPRDV-HOCLYGCPSA-N 2 1 291.439 2.485 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000353994893 276011933 /nfs/dbraw/zinc/01/19/33/276011933.db2.gz DNMALISJSNPRDV-HOCLYGCPSA-N 2 1 291.439 2.485 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178970082 276040503 /nfs/dbraw/zinc/04/05/03/276040503.db2.gz VNYOTPKNEPFHQL-GOEBONIOSA-N 2 1 295.471 2.003 20 0 CEADMP CCN(C(=O)[C@H](C)[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000353209500 276063989 /nfs/dbraw/zinc/06/39/89/276063989.db2.gz WEQPAGPCIQENBD-SQWLQELKSA-N 2 1 289.423 2.018 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnn1C ZINC000348305342 276105819 /nfs/dbraw/zinc/10/58/19/276105819.db2.gz WDULQCITOIVLLO-GOEBONIOSA-N 2 1 278.444 2.410 20 0 CEADMP CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178962293 276237618 /nfs/dbraw/zinc/23/76/18/276237618.db2.gz ZMZYBRZTMOQZDA-HOCLYGCPSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000353986230 276260580 /nfs/dbraw/zinc/26/05/80/276260580.db2.gz HRWWMRPLKAQIFH-ARFHVFGLSA-N 2 1 265.445 2.077 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353986230 276260582 /nfs/dbraw/zinc/26/05/82/276260582.db2.gz HRWWMRPLKAQIFH-ARFHVFGLSA-N 2 1 265.445 2.077 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353986230 276260585 /nfs/dbraw/zinc/26/05/85/276260585.db2.gz HRWWMRPLKAQIFH-ARFHVFGLSA-N 2 1 265.445 2.077 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000357149763 276286647 /nfs/dbraw/zinc/28/66/47/276286647.db2.gz BCRSMPIVDUHSSM-CVEARBPZSA-N 2 1 295.471 2.286 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000246796119 276345439 /nfs/dbraw/zinc/34/54/39/276345439.db2.gz IBVSFFIGVFUFAT-FVQBIDKESA-N 2 1 278.440 2.408 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000085384721 276362276 /nfs/dbraw/zinc/36/22/76/276362276.db2.gz IOCCIAJECCMYBT-CABCVRRESA-N 2 1 266.429 2.406 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000167790958 276383566 /nfs/dbraw/zinc/38/35/66/276383566.db2.gz NGRPLCCARPWMHD-HUUCEWRRSA-N 2 1 292.423 2.381 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCC(C)(C)C3)C2)CC1 ZINC000368634066 276387733 /nfs/dbraw/zinc/38/77/33/276387733.db2.gz TYCHXUYIWRRBAK-CVEARBPZSA-N 2 1 279.472 2.277 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](O)c2ccccc2C1 ZINC000373246150 277061413 /nfs/dbraw/zinc/06/14/13/277061413.db2.gz UAUYAEFGXZEMEH-WBVHZDCISA-N 2 1 274.408 2.410 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](O)c2ccccc2C1 ZINC000373246150 277061414 /nfs/dbraw/zinc/06/14/14/277061414.db2.gz UAUYAEFGXZEMEH-WBVHZDCISA-N 2 1 274.408 2.410 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000373246150 277061415 /nfs/dbraw/zinc/06/14/15/277061415.db2.gz UAUYAEFGXZEMEH-WBVHZDCISA-N 2 1 274.408 2.410 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000373246150 277061416 /nfs/dbraw/zinc/06/14/16/277061416.db2.gz UAUYAEFGXZEMEH-WBVHZDCISA-N 2 1 274.408 2.410 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000222074911 277075794 /nfs/dbraw/zinc/07/57/94/277075794.db2.gz ZIRWYKUASHNZDH-BLLLJJGKSA-N 2 1 275.396 2.075 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000415921680 277287993 /nfs/dbraw/zinc/28/79/93/277287993.db2.gz MOQTYBJMZYSONM-TZMCWYRMSA-N 2 1 290.411 2.010 20 0 CEADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC[C@@H]1C ZINC000342743052 277299406 /nfs/dbraw/zinc/29/94/06/277299406.db2.gz XOQZDURGOXJDCD-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CC[C@@H]1C ZINC000342743052 277299407 /nfs/dbraw/zinc/29/94/07/277299407.db2.gz XOQZDURGOXJDCD-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CC[C@@H]1C ZINC000342743052 277299408 /nfs/dbraw/zinc/29/94/08/277299408.db2.gz XOQZDURGOXJDCD-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)CCC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414779580 277351168 /nfs/dbraw/zinc/35/11/68/277351168.db2.gz KLABONAOZHCYEM-CQSZACIVSA-N 2 1 254.418 2.110 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163809637 277352778 /nfs/dbraw/zinc/35/27/78/277352778.db2.gz XJVKNXVIQSOVIW-PMPSAXMXSA-N 2 1 297.487 2.234 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163809637 277352779 /nfs/dbraw/zinc/35/27/79/277352779.db2.gz XJVKNXVIQSOVIW-PMPSAXMXSA-N 2 1 297.487 2.234 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1(C)C ZINC000185204638 277693397 /nfs/dbraw/zinc/69/33/97/277693397.db2.gz PVNCACOHBJBSRJ-JKSUJKDBSA-N 2 1 298.471 2.015 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)CC[NH2+]1 ZINC000414730829 278011279 /nfs/dbraw/zinc/01/12/79/278011279.db2.gz BBGRFPLSLLHSET-NDBYEHHHSA-N 2 1 294.361 2.152 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCO1 ZINC000352612941 278011911 /nfs/dbraw/zinc/01/19/11/278011911.db2.gz SOUXNWSHAOUGGS-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C[N@H+]1C1CC1 ZINC000353535257 278028691 /nfs/dbraw/zinc/02/86/91/278028691.db2.gz VQRUMNJPMSRQPE-PNDGYWDASA-N 2 1 277.456 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C[NH+]1C1CC1 ZINC000353535257 278028693 /nfs/dbraw/zinc/02/86/93/278028693.db2.gz VQRUMNJPMSRQPE-PNDGYWDASA-N 2 1 277.456 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C[NH+]1C1CC1 ZINC000353535257 278028695 /nfs/dbraw/zinc/02/86/95/278028695.db2.gz VQRUMNJPMSRQPE-PNDGYWDASA-N 2 1 277.456 2.074 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CN1C1CC1 ZINC000353535257 278028696 /nfs/dbraw/zinc/02/86/96/278028696.db2.gz VQRUMNJPMSRQPE-PNDGYWDASA-N 2 1 277.456 2.074 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CN1C1CC1 ZINC000353535257 278028697 /nfs/dbraw/zinc/02/86/97/278028697.db2.gz VQRUMNJPMSRQPE-PNDGYWDASA-N 2 1 277.456 2.074 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000334883256 278029020 /nfs/dbraw/zinc/02/90/20/278029020.db2.gz TWTSYSLTLVNYER-CABCVRRESA-N 2 1 288.435 2.484 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000414870820 278181545 /nfs/dbraw/zinc/18/15/45/278181545.db2.gz COONNVYPWMUSTM-LZWOXQAQSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cn[nH]c1 ZINC000261561316 278218282 /nfs/dbraw/zinc/21/82/82/278218282.db2.gz FUUQVGKRHVOUDE-YRGRVCCFSA-N 2 1 250.390 2.371 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000287185258 278240186 /nfs/dbraw/zinc/24/01/86/278240186.db2.gz VMBVDXXUQJPPNY-UXLLHSPISA-N 2 1 275.440 2.189 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000287185258 278240187 /nfs/dbraw/zinc/24/01/87/278240187.db2.gz VMBVDXXUQJPPNY-UXLLHSPISA-N 2 1 275.440 2.189 20 0 CEADMP CC1(C)CCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000335644948 278247928 /nfs/dbraw/zinc/24/79/28/278247928.db2.gz YRTOWWWDHNQSNR-UYSNPLJNSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCOC1(C)C ZINC000328403072 278332219 /nfs/dbraw/zinc/33/22/19/278332219.db2.gz SDEHGIANEOQAIX-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000335010854 278562441 /nfs/dbraw/zinc/56/24/41/278562441.db2.gz RIEOLKHOGXSISQ-CJNGLKHVSA-N 2 1 273.424 2.438 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000133018141 288077306 /nfs/dbraw/zinc/07/73/06/288077306.db2.gz JFGJSUZAXBDCCR-MCIONIFRSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000133018141 288077307 /nfs/dbraw/zinc/07/73/07/288077307.db2.gz JFGJSUZAXBDCCR-MCIONIFRSA-N 2 1 252.402 2.018 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375350847 279094969 /nfs/dbraw/zinc/09/49/69/279094969.db2.gz ZRODHRCURQPYFV-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CCCCC[N@H+](CC)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361587925 279177232 /nfs/dbraw/zinc/17/72/32/279177232.db2.gz LFKJGHWRVVDQRG-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CC[NH+](CCCCC[N@H+](CC)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361587925 279177234 /nfs/dbraw/zinc/17/72/34/279177234.db2.gz LFKJGHWRVVDQRG-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CC[NH+](CCCCC[N@@H+](CC)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361587925 279177235 /nfs/dbraw/zinc/17/72/35/279177235.db2.gz LFKJGHWRVVDQRG-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000121719709 279256892 /nfs/dbraw/zinc/25/68/92/279256892.db2.gz FIRIPHAQYJXSEU-GOEBONIOSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CCN(C)C[C@@H]2C)CC1 ZINC000121719709 279256894 /nfs/dbraw/zinc/25/68/94/279256894.db2.gz FIRIPHAQYJXSEU-GOEBONIOSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000340521666 279262569 /nfs/dbraw/zinc/26/25/69/279262569.db2.gz VYWNBOXYKMVGOT-RBSFLKMASA-N 2 1 264.413 2.018 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000248546885 279278587 /nfs/dbraw/zinc/27/85/87/279278587.db2.gz FWVGYFFSUFUEOQ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C(C)C ZINC000158791618 279284036 /nfs/dbraw/zinc/28/40/36/279284036.db2.gz XSTPFCMGRMQPTB-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C(C)C ZINC000158791618 279284037 /nfs/dbraw/zinc/28/40/37/279284037.db2.gz XSTPFCMGRMQPTB-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)N(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C(C)C ZINC000158791618 279284040 /nfs/dbraw/zinc/28/40/40/279284040.db2.gz XSTPFCMGRMQPTB-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)N(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C(C)C ZINC000158791618 279284044 /nfs/dbraw/zinc/28/40/44/279284044.db2.gz XSTPFCMGRMQPTB-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000300687479 279354936 /nfs/dbraw/zinc/35/49/36/279354936.db2.gz NHDVUHLWERKQJV-JKSUJKDBSA-N 2 1 261.413 2.451 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414919034 279367175 /nfs/dbraw/zinc/36/71/75/279367175.db2.gz VUHDPMJRCAFBBM-OWCLPIDISA-N 3 1 267.461 2.277 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCC(C)(C)C3)C2)CC1 ZINC000368634073 279369507 /nfs/dbraw/zinc/36/95/07/279369507.db2.gz TYCHXUYIWRRBAK-JKSUJKDBSA-N 2 1 279.472 2.277 20 0 CEADMP CCn1nccc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000125223464 279809376 /nfs/dbraw/zinc/80/93/76/279809376.db2.gz ONJBGSKUZNRPDN-AWEZNQCLSA-N 2 1 264.417 2.115 20 0 CEADMP Cc1ccc(N2CCC([NH2+]Cc3ccn(C)c3)CC2)[nH+]c1 ZINC000125887814 279818007 /nfs/dbraw/zinc/81/80/07/279818007.db2.gz JCMAZYOTGYKUPV-UHFFFAOYSA-N 2 1 284.407 2.487 20 0 CEADMP CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000135278576 280041296 /nfs/dbraw/zinc/04/12/96/280041296.db2.gz STBHNSUAAJYUID-UONOGXRCSA-N 2 1 297.443 2.118 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C)CCCC[NH3+] ZINC000417699130 288197386 /nfs/dbraw/zinc/19/73/86/288197386.db2.gz JXZHYSVXCWUPIP-CABCVRRESA-N 2 1 298.475 2.068 20 0 CEADMP Cc1ccc(F)cc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000189292894 280148230 /nfs/dbraw/zinc/14/82/30/280148230.db2.gz SQUZCGZFKDKXQR-UHFFFAOYSA-N 2 1 293.430 2.203 20 0 CEADMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C)[NH+]1CCCCC1 ZINC000345301802 280183505 /nfs/dbraw/zinc/18/35/05/280183505.db2.gz UGBYPBUVKDJFAY-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2=CCCOC2)[C@@H](C)C1 ZINC000245701562 280257237 /nfs/dbraw/zinc/25/72/37/280257237.db2.gz VKQHCENLRNUHAW-DOTOQJQBSA-N 2 1 296.455 2.060 20 0 CEADMP C[C@@H]1CN(CCC[N@H+]2C[C@@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000247019412 280318235 /nfs/dbraw/zinc/31/82/35/280318235.db2.gz ONLJUOJEOUIWAI-HUUCEWRRSA-N 2 1 298.471 2.375 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)C(C)(C)C)[C@@H](C)C1 ZINC000247080397 280319972 /nfs/dbraw/zinc/31/99/72/280319972.db2.gz NNNKWCCKZWJBBD-MELADBBJSA-N 2 1 256.434 2.367 20 0 CEADMP CC(CN1CCSC[C@H]1C)C[N@H+]1CCSC[C@H]1C ZINC000247220129 280323394 /nfs/dbraw/zinc/32/33/94/280323394.db2.gz XPAZTAYTEZRSOG-ZIAGYGMSSA-N 2 1 288.526 2.497 20 0 CEADMP CC(C[NH+]1CCSC[C@H]1C)C[N@@H+]1CCSC[C@H]1C ZINC000247220129 280323396 /nfs/dbraw/zinc/32/33/96/280323396.db2.gz XPAZTAYTEZRSOG-ZIAGYGMSSA-N 2 1 288.526 2.497 20 0 CEADMP CC(C[NH+]1CCSC[C@H]1C)C[N@H+]1CCSC[C@H]1C ZINC000247220129 280323398 /nfs/dbraw/zinc/32/33/98/280323398.db2.gz XPAZTAYTEZRSOG-ZIAGYGMSSA-N 2 1 288.526 2.497 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCSC)[C@@H](C)C1 ZINC000248034418 280342013 /nfs/dbraw/zinc/34/20/13/280342013.db2.gz RCKRHBKPQHMRSY-UONOGXRCSA-N 2 1 274.474 2.076 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c(C)noc2C)[C@@H](C)C1 ZINC000248127520 280342365 /nfs/dbraw/zinc/34/23/65/280342365.db2.gz OBJGPGMOWQMQLH-XHDPSFHLSA-N 2 1 265.401 2.154 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000248183073 280343141 /nfs/dbraw/zinc/34/31/41/280343141.db2.gz WTBIPVIWRVZNLS-IVMMDQJWSA-N 2 1 261.413 2.251 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000248834164 280367102 /nfs/dbraw/zinc/36/71/02/280367102.db2.gz NHAGRVCYHDXZDJ-CVEARBPZSA-N 2 1 284.444 2.193 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000248834164 280367103 /nfs/dbraw/zinc/36/71/03/280367103.db2.gz NHAGRVCYHDXZDJ-CVEARBPZSA-N 2 1 284.444 2.193 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@H](C)[C@H]3CCOC3)CC2)[nH+]c1 ZINC000163465950 280864141 /nfs/dbraw/zinc/86/41/41/280864141.db2.gz RLMRMCVKLVLLEA-CABCVRRESA-N 2 1 289.423 2.373 20 0 CEADMP CC[C@H]([NH2+][C@H](C)C[NH+](CC)CC)C1(C(=O)OC)CCC1 ZINC000353544757 280966636 /nfs/dbraw/zinc/96/66/36/280966636.db2.gz JNLHHTINRIRHND-KGLIPLIRSA-N 2 1 284.444 2.428 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)C(C)C ZINC000422989639 280984772 /nfs/dbraw/zinc/98/47/72/280984772.db2.gz AYORRKFFAUWNCI-JKSUJKDBSA-N 3 1 269.477 2.473 20 0 CEADMP C[C@H]([NH2+]C[C@H]1Cc2ccccc2N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000423061689 281016365 /nfs/dbraw/zinc/01/63/65/281016365.db2.gz RFMVLOHVFJTCGJ-LZWOXQAQSA-N 2 1 273.424 2.025 20 0 CEADMP COCC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCCCC1 ZINC000423133858 281017817 /nfs/dbraw/zinc/01/78/17/281017817.db2.gz DIAQFLPVZXYHJZ-ZIAGYGMSSA-N 2 1 254.418 2.171 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000423401547 281028273 /nfs/dbraw/zinc/02/82/73/281028273.db2.gz QZSXVSPPBIUELL-SCVCMEIPSA-N 2 1 282.409 2.183 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc(OC)c1OC ZINC000423434737 281040487 /nfs/dbraw/zinc/04/04/87/281040487.db2.gz DLFVCONJHMVQLU-VWYCJHECSA-N 2 1 282.384 2.099 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)[C@H](C)[NH3+] ZINC000423447420 281045726 /nfs/dbraw/zinc/04/57/26/281045726.db2.gz OYJZXYNGHCSDIJ-XQQFMLRXSA-N 2 1 258.369 2.259 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]([NH3+])CC)c2ccccc21 ZINC000423464018 281047721 /nfs/dbraw/zinc/04/77/21/281047721.db2.gz LSGIECMKJJNLTC-MAZHCROVSA-N 2 1 290.407 2.495 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423465623 281048748 /nfs/dbraw/zinc/04/87/48/281048748.db2.gz MVHZTDOEKOZKKO-DZGCQCFKSA-N 3 1 279.428 2.015 20 0 CEADMP Fc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CC2)cc1 ZINC000423493951 281054161 /nfs/dbraw/zinc/05/41/61/281054161.db2.gz RKZOBXDYUNOPTJ-CVEARBPZSA-N 2 1 278.371 2.245 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000423529265 281062883 /nfs/dbraw/zinc/06/28/83/281062883.db2.gz XPWAOSAVXLVSAA-MSOLQXFVSA-N 2 1 287.451 2.411 20 0 CEADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423732835 281085567 /nfs/dbraw/zinc/08/55/67/281085567.db2.gz TWPSDASRAYWRIO-RBZJEDDUSA-N 2 1 295.471 2.224 20 0 CEADMP COC(=O)CC1CC([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000424275096 281141695 /nfs/dbraw/zinc/14/16/95/281141695.db2.gz ZOBDFFODYJTHEJ-FHERZECASA-N 2 1 296.455 2.430 20 0 CEADMP [NH3+]C1(c2noc([C@H]3CCCc4[nH+]ccn43)n2)CCCCC1 ZINC000424348249 281151630 /nfs/dbraw/zinc/15/16/30/281151630.db2.gz UACKMFYHHUCDRF-LLVKDONJSA-N 2 1 287.367 2.310 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429319640 281234737 /nfs/dbraw/zinc/23/47/37/281234737.db2.gz SBQQBIXQZIWJGM-AWEZNQCLSA-N 2 1 271.364 2.044 20 0 CEADMP CSc1ccc(OCC[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000430615937 281269777 /nfs/dbraw/zinc/26/97/77/281269777.db2.gz DSXQDBGFNSKNAF-CYBMUJFWSA-N 2 1 280.437 2.458 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000430888619 281279916 /nfs/dbraw/zinc/27/99/16/281279916.db2.gz JWPDGEWKHDDWQQ-OWCLPIDISA-N 2 1 295.471 2.275 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C1([NH3+])CCCCC1 ZINC000430893631 281280275 /nfs/dbraw/zinc/28/02/75/281280275.db2.gz HBWLNXXKZPNFTE-OKILXGFUSA-N 2 1 281.444 2.027 20 0 CEADMP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC000290231349 281299099 /nfs/dbraw/zinc/29/90/99/281299099.db2.gz RSVKNFRFYNZYTE-NUEKZKHPSA-N 2 1 274.408 2.371 20 0 CEADMP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC000290231349 281299101 /nfs/dbraw/zinc/29/91/01/281299101.db2.gz RSVKNFRFYNZYTE-NUEKZKHPSA-N 2 1 274.408 2.371 20 0 CEADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358247722 281303798 /nfs/dbraw/zinc/30/37/98/281303798.db2.gz FMFGASZACLSQPC-UKPHBRMFSA-N 2 1 274.408 2.200 20 0 CEADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358247722 281303800 /nfs/dbraw/zinc/30/38/00/281303800.db2.gz FMFGASZACLSQPC-UKPHBRMFSA-N 2 1 274.408 2.200 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000431572131 281308771 /nfs/dbraw/zinc/30/87/71/281308771.db2.gz SKLGZBYXJRUODQ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431739651 281316069 /nfs/dbraw/zinc/31/60/69/281316069.db2.gz DLAXQBAVVXDPRY-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431739651 281316072 /nfs/dbraw/zinc/31/60/72/281316072.db2.gz DLAXQBAVVXDPRY-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431739651 281316073 /nfs/dbraw/zinc/31/60/73/281316073.db2.gz DLAXQBAVVXDPRY-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC1(C)CC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000433124877 281367097 /nfs/dbraw/zinc/36/70/97/281367097.db2.gz GQUSWUMVUKGGTM-CQSZACIVSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H]1C[C@H](N(C)CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000435396591 281388242 /nfs/dbraw/zinc/38/82/42/281388242.db2.gz ZLHUTQDSYSCEDX-DOTOQJQBSA-N 2 1 275.440 2.320 20 0 CEADMP CCc1ncc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)s1 ZINC000435430623 281389538 /nfs/dbraw/zinc/38/95/38/281389538.db2.gz DCPYBPBPADJPNP-NSHDSACASA-N 2 1 253.415 2.279 20 0 CEADMP CCc1ncc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)s1 ZINC000435430623 281389540 /nfs/dbraw/zinc/38/95/40/281389540.db2.gz DCPYBPBPADJPNP-NSHDSACASA-N 2 1 253.415 2.279 20 0 CEADMP CC[N@@H+](CC(=O)NCCC[NH+](C)C1CCCCC1)C1CC1 ZINC000151339349 289055011 /nfs/dbraw/zinc/05/50/11/289055011.db2.gz BABODKKSAJRFOU-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CC(=O)NCCC[N@H+](C)C1CCCCC1)C1CC1 ZINC000151339349 289055015 /nfs/dbraw/zinc/05/50/15/289055015.db2.gz BABODKKSAJRFOU-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CC(=O)NCCC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000151339349 289055016 /nfs/dbraw/zinc/05/50/16/289055016.db2.gz BABODKKSAJRFOU-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@H]2CCCCC[C@@H]2N)CC1 ZINC000335030940 289066334 /nfs/dbraw/zinc/06/63/34/289066334.db2.gz VCDOBURPEISVAN-WUCCLRPBSA-N 2 1 253.434 2.109 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](CC)C1CC1 ZINC000151902137 289070625 /nfs/dbraw/zinc/07/06/25/289070625.db2.gz DQLCGRUAUZREGW-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](CC)C1CC1 ZINC000151902137 289070629 /nfs/dbraw/zinc/07/06/29/289070629.db2.gz DQLCGRUAUZREGW-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](CC)C1CC1 ZINC000151902137 289070633 /nfs/dbraw/zinc/07/06/33/289070633.db2.gz DQLCGRUAUZREGW-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000125534451 289189688 /nfs/dbraw/zinc/18/96/88/289189688.db2.gz VBXXSLHNCSCRCA-ZDUSSCGKSA-N 2 1 256.434 2.103 20 0 CEADMP Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)nc1 ZINC000157168555 289208893 /nfs/dbraw/zinc/20/88/93/289208893.db2.gz LVUHDOJQXIHCMI-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)nc1 ZINC000157168555 289208895 /nfs/dbraw/zinc/20/88/95/289208895.db2.gz LVUHDOJQXIHCMI-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)nc1 ZINC000157168555 289208896 /nfs/dbraw/zinc/20/88/96/289208896.db2.gz LVUHDOJQXIHCMI-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)nc1 ZINC000157168555 289208898 /nfs/dbraw/zinc/20/88/98/289208898.db2.gz LVUHDOJQXIHCMI-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)nc1 ZINC000157168555 289208902 /nfs/dbraw/zinc/20/89/02/289208902.db2.gz LVUHDOJQXIHCMI-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP CC[C@@H]1CN(CCC[N@@H+]2C[C@@H](CC)O[C@@H](C)C2)C[C@H](C)O1 ZINC000158091404 289227976 /nfs/dbraw/zinc/22/79/76/289227976.db2.gz ZNSPMDAJBFTXSW-MWDXBVQZSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC000159192238 289248108 /nfs/dbraw/zinc/24/81/08/289248108.db2.gz JIXORHHSTGJCKF-OWYFMNJBSA-N 2 1 268.445 2.246 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248405434 290021871 /nfs/dbraw/zinc/02/18/71/290021871.db2.gz RJBPVMUAYJKCCT-KNCOVGOOSA-N 2 1 266.429 2.406 20 0 CEADMP O=C(CC[NH2+]C1CC[NH+](C2CC2)CC1)NC1CCCCC1 ZINC000459366793 290128130 /nfs/dbraw/zinc/12/81/30/290128130.db2.gz DHGPNYGVSXWCCX-UHFFFAOYSA-N 2 1 293.455 2.042 20 0 CEADMP CCC(CC)(CCO)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459420626 290143038 /nfs/dbraw/zinc/14/30/38/290143038.db2.gz IAFPRMJAFDJMIW-UHFFFAOYSA-N 2 1 268.445 2.392 20 0 CEADMP CCOC1CC(CC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459490861 290163519 /nfs/dbraw/zinc/16/35/19/290163519.db2.gz BYSWEXUIURBAJB-UHFFFAOYSA-N 2 1 266.429 2.408 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000459504131 290166136 /nfs/dbraw/zinc/16/61/36/290166136.db2.gz FQSYBIAXGUAHBM-UHFFFAOYSA-N 3 1 277.456 2.077 20 0 CEADMP Cc1noc(C)c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459724395 290218549 /nfs/dbraw/zinc/21/85/49/290218549.db2.gz DJNHRFPOISFCPB-CYBMUJFWSA-N 2 1 251.374 2.113 20 0 CEADMP COCc1cnc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000459734972 290221569 /nfs/dbraw/zinc/22/15/69/290221569.db2.gz PDYGVBYKEZBKSA-GFCCVEGCSA-N 2 1 283.441 2.111 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@@H]1SC ZINC000459772255 290234367 /nfs/dbraw/zinc/23/43/67/290234367.db2.gz IIEBPHZSMBNNEU-XQLPTFJDSA-N 2 1 286.485 2.217 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000459777221 290236428 /nfs/dbraw/zinc/23/64/28/290236428.db2.gz KINCFRAFKNZOGY-LSDHHAIUSA-N 2 1 291.439 2.343 20 0 CEADMP CCc1nocc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459793302 290241863 /nfs/dbraw/zinc/24/18/63/290241863.db2.gz TYBYPBBTWJANRH-LBPRGKRZSA-N 2 1 251.374 2.059 20 0 CEADMP Clc1ccc(CCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479765496 290311696 /nfs/dbraw/zinc/31/16/96/290311696.db2.gz ODYSDRBKLQALLU-OKILXGFUSA-N 2 1 264.800 2.424 20 0 CEADMP COCCC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000528577534 297838853 /nfs/dbraw/zinc/83/88/53/297838853.db2.gz OHXQVYKEUVSYEV-UHFFFAOYSA-N 2 1 265.401 2.330 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000530218472 298053620 /nfs/dbraw/zinc/05/36/20/298053620.db2.gz MQFXQKKYVRRIPX-RKTXRCNFSA-N 2 1 292.398 2.052 20 0 CEADMP CO[C@H](C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)Cc1ccc(F)cc1 ZINC000530222861 298056323 /nfs/dbraw/zinc/05/63/23/298056323.db2.gz HYDRSZRMAQMPCQ-UWWPHRKUSA-N 2 1 294.414 2.359 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)o1 ZINC000532195941 298135351 /nfs/dbraw/zinc/13/53/51/298135351.db2.gz MXRWGXUWJICBKV-TYNCELHUSA-N 2 1 250.386 2.449 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2nc(C)ncc2C1 ZINC000534317231 298173320 /nfs/dbraw/zinc/17/33/20/298173320.db2.gz QSZBZIUZIKGBBI-UHFFFAOYSA-N 2 1 285.395 2.128 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2nc(C)ncc2C1 ZINC000534317231 298173322 /nfs/dbraw/zinc/17/33/22/298173322.db2.gz QSZBZIUZIKGBBI-UHFFFAOYSA-N 2 1 285.395 2.128 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc(C3CC3)s2)CC1 ZINC000537346099 298208894 /nfs/dbraw/zinc/20/88/94/298208894.db2.gz YSTKMQRJUMJONQ-UHFFFAOYSA-N 2 1 263.410 2.372 20 0 CEADMP C[NH+]1CCN([C@@H](C[NH2+]CC2CC2)c2cccs2)CC1 ZINC000538282663 298226385 /nfs/dbraw/zinc/22/63/85/298226385.db2.gz KYHLNCVOVVWZRU-AWEZNQCLSA-N 2 1 279.453 2.036 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000539509962 298249579 /nfs/dbraw/zinc/24/95/79/298249579.db2.gz KRTLSQUAMSIOKP-ZDUSSCGKSA-N 2 1 299.418 2.484 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000545212337 298330361 /nfs/dbraw/zinc/33/03/61/298330361.db2.gz PPCVUYBAUUMEEE-CQSZACIVSA-N 2 1 264.417 2.204 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000545212337 298330364 /nfs/dbraw/zinc/33/03/64/298330364.db2.gz PPCVUYBAUUMEEE-CQSZACIVSA-N 2 1 264.417 2.204 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000566562136 299002980 /nfs/dbraw/zinc/00/29/80/299002980.db2.gz ISPDFZPIRCOUGB-JTQLQIEISA-N 2 1 273.302 2.271 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000566562136 299002983 /nfs/dbraw/zinc/00/29/83/299002983.db2.gz ISPDFZPIRCOUGB-JTQLQIEISA-N 2 1 273.302 2.271 20 0 CEADMP CCc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)s1 ZINC000566748696 299021069 /nfs/dbraw/zinc/02/10/69/299021069.db2.gz RVQVHPNQYPMJIS-UHFFFAOYSA-N 2 1 282.453 2.247 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178304467 302798175 /nfs/dbraw/zinc/79/81/75/302798175.db2.gz LVOKDJBJRBBILI-XBFCOCLRSA-N 2 1 264.417 2.252 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnc(C2CC2)nc1)C[NH+]1CCCC1 ZINC000459399246 313019827 /nfs/dbraw/zinc/01/98/27/313019827.db2.gz YOZGYMVVDSZVPP-ZDUSSCGKSA-N 2 1 274.412 2.176 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)CCCO1 ZINC000515139460 313066037 /nfs/dbraw/zinc/06/60/37/313066037.db2.gz IKXVNQCCKZMZBY-SFHVURJKSA-N 2 1 297.402 2.298 20 0 CEADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000519827562 313120702 /nfs/dbraw/zinc/12/07/02/313120702.db2.gz ZEPIXLRUUHWFSJ-AEFFLSMTSA-N 2 1 290.451 2.443 20 0 CEADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000519827562 313120706 /nfs/dbraw/zinc/12/07/06/313120706.db2.gz ZEPIXLRUUHWFSJ-AEFFLSMTSA-N 2 1 290.451 2.443 20 0 CEADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@H]1CC12CC2 ZINC000527858865 313210958 /nfs/dbraw/zinc/21/09/58/313210958.db2.gz MKHBCCPYZQOOGT-GOEBONIOSA-N 2 1 279.472 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000527944973 313218530 /nfs/dbraw/zinc/21/85/30/313218530.db2.gz DXVRVHATVQXQGR-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527944973 313218534 /nfs/dbraw/zinc/21/85/34/313218534.db2.gz DXVRVHATVQXQGR-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527944973 313218537 /nfs/dbraw/zinc/21/85/37/313218537.db2.gz DXVRVHATVQXQGR-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530179758 313280540 /nfs/dbraw/zinc/28/05/40/313280540.db2.gz WWOQBNSNTMYTSQ-BPQIPLTHSA-N 2 1 299.462 2.381 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(CO)ccc2F)C[C@H]1C[NH3+] ZINC000530226979 313285984 /nfs/dbraw/zinc/28/59/84/313285984.db2.gz VJTNSPRHZPCWIM-LALPHHSUSA-N 2 1 280.387 2.123 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1C[NH3+] ZINC000530226979 313285986 /nfs/dbraw/zinc/28/59/86/313285986.db2.gz VJTNSPRHZPCWIM-LALPHHSUSA-N 2 1 280.387 2.123 20 0 CEADMP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000530630428 313301839 /nfs/dbraw/zinc/30/18/39/313301839.db2.gz OKVYBXSRPLPIJV-OAHLLOKOSA-N 2 1 297.487 2.294 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@H](C)CC(=O)NC)N1CCCC1 ZINC000531946574 313334278 /nfs/dbraw/zinc/33/42/78/313334278.db2.gz NCPRZWPPYHZFLK-HIFRSBDPSA-N 2 1 283.460 2.001 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cn2ccccc2n1 ZINC000551272239 313593219 /nfs/dbraw/zinc/59/32/19/313593219.db2.gz PHWGQULARVYZEV-GFCCVEGCSA-N 2 1 269.352 2.190 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000559105229 313696376 /nfs/dbraw/zinc/69/63/76/313696376.db2.gz LWRFASCPUXCNIV-UHFFFAOYSA-N 2 1 285.391 2.300 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000568472027 313958168 /nfs/dbraw/zinc/95/81/68/313958168.db2.gz QCWLKWMVJPKSHN-GJZGRUSLSA-N 2 1 287.411 2.241 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000569093394 313984240 /nfs/dbraw/zinc/98/42/40/313984240.db2.gz PDKMCCVRNJGSCU-GJZGRUSLSA-N 3 1 267.461 2.086 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000571194016 314077076 /nfs/dbraw/zinc/07/70/76/314077076.db2.gz KNWUSLMAODKQMY-HUUCEWRRSA-N 3 1 267.461 2.085 20 0 CEADMP c1nc(C2CC2)sc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000573324231 314152289 /nfs/dbraw/zinc/15/22/89/314152289.db2.gz KOYYLIGRYSIFIT-BETUJISGSA-N 2 1 277.437 2.452 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000573489478 314161878 /nfs/dbraw/zinc/16/18/78/314161878.db2.gz FODLAQTULBCTGP-INIZCTEOSA-N 3 1 267.461 2.038 20 0 CEADMP Cc1cnc(CC[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000576103512 314241508 /nfs/dbraw/zinc/24/15/08/314241508.db2.gz AEMPEXIFZYDWHM-OAHLLOKOSA-N 2 1 261.413 2.124 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000576129670 314245993 /nfs/dbraw/zinc/24/59/93/314245993.db2.gz YEZIWMAYUCLKRC-MRXNPFEDSA-N 3 1 269.477 2.412 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000576129670 314245996 /nfs/dbraw/zinc/24/59/96/314245996.db2.gz YEZIWMAYUCLKRC-MRXNPFEDSA-N 2 1 269.477 2.412 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000576129670 314245998 /nfs/dbraw/zinc/24/59/98/314245998.db2.gz YEZIWMAYUCLKRC-MRXNPFEDSA-N 2 1 269.477 2.412 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000576968285 314329204 /nfs/dbraw/zinc/32/92/04/314329204.db2.gz WIRHUGDOWYCFTQ-CQSZACIVSA-N 2 1 290.411 2.095 20 0 CEADMP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC000577363463 314368210 /nfs/dbraw/zinc/36/82/10/314368210.db2.gz GXHGBHCKZXMAEE-SHTZXODSSA-N 2 1 279.472 2.216 20 0 CEADMP [NH3+]CCCCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000577510361 314385319 /nfs/dbraw/zinc/38/53/19/314385319.db2.gz VSFWQOHPZKQXNG-UHFFFAOYSA-N 2 1 295.471 2.230 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccn1-c1ccccc1 ZINC000580417301 322316200 /nfs/dbraw/zinc/31/62/00/322316200.db2.gz MGQNDFPFDGGURI-HOCLYGCPSA-N 2 1 284.407 2.479 20 0 CEADMP COc1ccc(C[N@H+](C)CCCc2c[nH+]cn2C)cc1O ZINC000580722410 322339024 /nfs/dbraw/zinc/33/90/24/322339024.db2.gz LBFMNERRRRDGGW-UHFFFAOYSA-N 2 1 289.379 2.199 20 0 CEADMP COc1ccc(C[N@@H+](C)CCCc2c[nH+]cn2C)cc1O ZINC000580722410 322339027 /nfs/dbraw/zinc/33/90/27/322339027.db2.gz LBFMNERRRRDGGW-UHFFFAOYSA-N 2 1 289.379 2.199 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000581126259 322370716 /nfs/dbraw/zinc/37/07/16/322370716.db2.gz AAAYOYGLXYXUEZ-PBHICJAKSA-N 2 1 287.407 2.336 20 0 CEADMP COc1cc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c(F)cn1 ZINC000581269408 322382876 /nfs/dbraw/zinc/38/28/76/322382876.db2.gz MZHMCYRJTDKJQG-RYUDHWBXSA-N 2 1 281.375 2.222 20 0 CEADMP Cc1ccn2cc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)nc2c1 ZINC000581894992 322430290 /nfs/dbraw/zinc/43/02/90/322430290.db2.gz OJCQUJOCTMDHLS-OLZOCXBDSA-N 2 1 258.369 2.002 20 0 CEADMP CC1(C[NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000562347557 327473713 /nfs/dbraw/zinc/47/37/13/327473713.db2.gz HOMOCKQHFQLVPT-UHFFFAOYSA-N 2 1 252.402 2.021 20 0 CEADMP C[N@@H+](C[C@H]1CCCC[C@@H]1O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394427891 329119553 /nfs/dbraw/zinc/11/95/53/329119553.db2.gz UTMQTBVESXFHFM-JDOFQRQTSA-N 2 1 266.429 2.095 20 0 CEADMP C[NH+](C[C@H]1CCCC[C@@H]1O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394427891 329119554 /nfs/dbraw/zinc/11/95/54/329119554.db2.gz UTMQTBVESXFHFM-JDOFQRQTSA-N 2 1 266.429 2.095 20 0 CEADMP CSc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccn1 ZINC000357845948 534169069 /nfs/dbraw/zinc/16/90/69/534169069.db2.gz CAWGQCDBQJBRRO-DGCLKSJQSA-N 2 1 265.426 2.376 20 0 CEADMP CSc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccn1 ZINC000357845948 534169073 /nfs/dbraw/zinc/16/90/73/534169073.db2.gz CAWGQCDBQJBRRO-DGCLKSJQSA-N 2 1 265.426 2.376 20 0 CEADMP C[C@H]([NH3+])CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000414826414 534173652 /nfs/dbraw/zinc/17/36/52/534173652.db2.gz VVGFIUMBGNLVJQ-OFQRWUPVSA-N 3 1 267.461 2.356 20 0 CEADMP Brc1cncc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000163424812 518231829 /nfs/dbraw/zinc/23/18/29/518231829.db2.gz BSSPQZRVRZGOHZ-UHFFFAOYSA-N 2 1 284.201 2.076 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000050953902 518384391 /nfs/dbraw/zinc/38/43/91/518384391.db2.gz VMLFPPYCSHIOCV-LSDHHAIUSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)(C)OC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150787777 518784792 /nfs/dbraw/zinc/78/47/92/518784792.db2.gz RCVCAONNPJHTLX-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)(C)OC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150787777 518784800 /nfs/dbraw/zinc/78/48/00/518784800.db2.gz RCVCAONNPJHTLX-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000365190313 520610640 /nfs/dbraw/zinc/61/06/40/520610640.db2.gz NRCWLXYCFNSFFU-CABCVRRESA-N 2 1 254.418 2.077 20 0 CEADMP CC[N@@H+](CCC1CCN(C(=O)C[NH+](C)C)CC1)CC(C)C ZINC000359375772 521000857 /nfs/dbraw/zinc/00/08/57/521000857.db2.gz SWBQNCMBLSHBJU-UHFFFAOYSA-N 2 1 297.487 2.155 20 0 CEADMP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CCCCCC[NH3+] ZINC000370767662 523312228 /nfs/dbraw/zinc/31/22/28/523312228.db2.gz VFMXRZBTPBBQJK-HOTGVXAUSA-N 2 1 295.471 2.371 20 0 CEADMP CO[C@@H](C)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000363698456 523408000 /nfs/dbraw/zinc/40/80/00/523408000.db2.gz JEVYIUHUBJTPEE-AWEZNQCLSA-N 2 1 277.412 2.265 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC000367472370 523842950 /nfs/dbraw/zinc/84/29/50/523842950.db2.gz JTLOWGDIMZAEAY-SJORKVTESA-N 2 1 277.456 2.055 20 0 CEADMP Cc1ncc(C[NH2+]CCC[NH2+]C2CC2)n1-c1ccccc1 ZINC000415074184 534740318 /nfs/dbraw/zinc/74/03/18/534740318.db2.gz ZPDMFPNGORTHEG-UHFFFAOYSA-N 2 1 284.407 2.412 20 0 CEADMP C[S@@](=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000155524255 525373703 /nfs/dbraw/zinc/37/37/03/525373703.db2.gz FPHLLSJSLQXTHW-MDOVXXIYSA-N 2 1 292.448 2.140 20 0 CEADMP C[S@@](=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000155524255 525373715 /nfs/dbraw/zinc/37/37/15/525373715.db2.gz FPHLLSJSLQXTHW-MDOVXXIYSA-N 2 1 292.448 2.140 20 0 CEADMP Cc1ccn(C2CC[NH+](CCCn3cc[nH+]c3C)CC2)n1 ZINC000365006197 525587059 /nfs/dbraw/zinc/58/70/59/525587059.db2.gz DECMCXLMCWDROO-UHFFFAOYSA-N 2 1 287.411 2.424 20 0 CEADMP Cc1nc(C)c(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000157904486 526713876 /nfs/dbraw/zinc/71/38/76/526713876.db2.gz RDCKIWBAYBGZMT-MFKMUULPSA-N 2 1 267.442 2.375 20 0 CEADMP Cc1nc([C@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)no1 ZINC000363473062 527076414 /nfs/dbraw/zinc/07/64/14/527076414.db2.gz XUGVZSDWCKFUIX-AWEZNQCLSA-N 2 1 289.383 2.153 20 0 CEADMP Cc1nc([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)no1 ZINC000363473062 527076418 /nfs/dbraw/zinc/07/64/18/527076418.db2.gz XUGVZSDWCKFUIX-AWEZNQCLSA-N 2 1 289.383 2.153 20 0 CEADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071149050 528644047 /nfs/dbraw/zinc/64/40/47/528644047.db2.gz BAPRCMQASLMJIY-KRWDZBQOSA-N 2 1 275.440 2.221 20 0 CEADMP CCC(O)(CC)CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352707247 528964845 /nfs/dbraw/zinc/96/48/45/528964845.db2.gz RVZABFAJBKKRJI-UHFFFAOYSA-N 2 1 285.457 2.236 20 0 CEADMP CC[C@@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821036 535812210 /nfs/dbraw/zinc/81/22/10/535812210.db2.gz VOTXGXQMQGXHIB-QGZVFWFLSA-N 2 1 291.439 2.391 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000348001273 538773574 /nfs/dbraw/zinc/77/35/74/538773574.db2.gz KIGJZKBAFXJHGI-HNNXBMFYSA-N 2 1 297.487 2.201 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](C(C)C)C1 ZINC000731871016 574604458 /nfs/dbraw/zinc/60/44/58/574604458.db2.gz CIAUKBSSFDGGFM-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000731871016 574604460 /nfs/dbraw/zinc/60/44/60/574604460.db2.gz CIAUKBSSFDGGFM-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000731871016 574604461 /nfs/dbraw/zinc/60/44/61/574604461.db2.gz CIAUKBSSFDGGFM-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP C[N@H+](C[C@H](O)c1cc(F)ccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000741250767 574979533 /nfs/dbraw/zinc/97/95/33/574979533.db2.gz JKEQSKOFKOYZNY-WBMJQRKESA-N 2 1 298.377 2.272 20 0 CEADMP C[N@@H+](C[C@H](O)c1cc(F)ccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000741250767 574979534 /nfs/dbraw/zinc/97/95/34/574979534.db2.gz JKEQSKOFKOYZNY-WBMJQRKESA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@H](O)c1cc(F)ccc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000741250767 574979536 /nfs/dbraw/zinc/97/95/36/574979536.db2.gz JKEQSKOFKOYZNY-WBMJQRKESA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@H](O)c1cc(F)ccc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741250767 574979538 /nfs/dbraw/zinc/97/95/38/574979538.db2.gz JKEQSKOFKOYZNY-WBMJQRKESA-N 2 1 298.377 2.272 20 0 CEADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2ccccc2)C1 ZINC000746667274 575162355 /nfs/dbraw/zinc/16/23/55/575162355.db2.gz GFDJPCQPCKLRHA-WMZOPIPTSA-N 2 1 288.435 2.384 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2ccccc2)C1 ZINC000746667274 575162357 /nfs/dbraw/zinc/16/23/57/575162357.db2.gz GFDJPCQPCKLRHA-WMZOPIPTSA-N 2 1 288.435 2.384 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000746667274 575162360 /nfs/dbraw/zinc/16/23/60/575162360.db2.gz GFDJPCQPCKLRHA-WMZOPIPTSA-N 2 1 288.435 2.384 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000746667274 575162362 /nfs/dbraw/zinc/16/23/62/575162362.db2.gz GFDJPCQPCKLRHA-WMZOPIPTSA-N 2 1 288.435 2.384 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2(O)CCCCC2)C1 ZINC000747532098 575171959 /nfs/dbraw/zinc/17/19/59/575171959.db2.gz RZSZTPFLSBKRBC-INIZCTEOSA-N 2 1 298.471 2.114 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000749948925 575241079 /nfs/dbraw/zinc/24/10/79/575241079.db2.gz CEAGHZINBKSONR-CVEARBPZSA-N 2 1 293.455 2.009 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)[C@H](C)C1 ZINC000753371025 575324699 /nfs/dbraw/zinc/32/46/99/575324699.db2.gz KLFGWGTVADJNPU-GDBMZVCRSA-N 2 1 299.422 2.087 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)[C@H](C)C1 ZINC000753371025 575324700 /nfs/dbraw/zinc/32/47/00/575324700.db2.gz KLFGWGTVADJNPU-GDBMZVCRSA-N 2 1 299.422 2.087 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000125504513 649925583 /nfs/dbraw/zinc/92/55/83/649925583.db2.gz AKNQRQUKDNIBBC-CQSZACIVSA-N 2 1 260.381 2.100 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000125504513 649925584 /nfs/dbraw/zinc/92/55/84/649925584.db2.gz AKNQRQUKDNIBBC-CQSZACIVSA-N 2 1 260.381 2.100 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[N@H+](C(C)C)CC1(C)C ZINC000974573338 613892499 /nfs/dbraw/zinc/89/24/99/613892499.db2.gz CNEMXQFPGUJLIM-CABCVRRESA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974573338 613892501 /nfs/dbraw/zinc/89/25/01/613892501.db2.gz CNEMXQFPGUJLIM-CABCVRRESA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974573338 613892502 /nfs/dbraw/zinc/89/25/02/613892502.db2.gz CNEMXQFPGUJLIM-CABCVRRESA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000960867782 614265262 /nfs/dbraw/zinc/26/52/62/614265262.db2.gz XFYBCQXOIMZSON-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000960867782 614265263 /nfs/dbraw/zinc/26/52/63/614265263.db2.gz XFYBCQXOIMZSON-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000960867782 614265265 /nfs/dbraw/zinc/26/52/65/614265265.db2.gz XFYBCQXOIMZSON-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC)CC1(C)C ZINC000940786448 614663538 /nfs/dbraw/zinc/66/35/38/614663538.db2.gz WISJHXAEDFMHAH-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC)CC1(C)C ZINC000940786448 614663540 /nfs/dbraw/zinc/66/35/40/614663540.db2.gz WISJHXAEDFMHAH-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC)CC1(C)C ZINC000940786448 614663542 /nfs/dbraw/zinc/66/35/42/614663542.db2.gz WISJHXAEDFMHAH-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](C(C)C)CC1(C)C ZINC000974653150 614663949 /nfs/dbraw/zinc/66/39/49/614663949.db2.gz GKWKRTDXMWYJOF-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)CC1(C)C ZINC000974653150 614663953 /nfs/dbraw/zinc/66/39/53/614663953.db2.gz GKWKRTDXMWYJOF-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)CC1(C)C ZINC000974653150 614663955 /nfs/dbraw/zinc/66/39/55/614663955.db2.gz GKWKRTDXMWYJOF-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775631 614673302 /nfs/dbraw/zinc/67/33/02/614673302.db2.gz NNLASNLTXRFHFQ-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000948775631 614673305 /nfs/dbraw/zinc/67/33/05/614673305.db2.gz NNLASNLTXRFHFQ-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000948775631 614673307 /nfs/dbraw/zinc/67/33/07/614673307.db2.gz NNLASNLTXRFHFQ-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000960911009 614856905 /nfs/dbraw/zinc/85/69/05/614856905.db2.gz YZPRPGBUCJILRG-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000960911009 614856906 /nfs/dbraw/zinc/85/69/06/614856906.db2.gz YZPRPGBUCJILRG-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000960911009 614856908 /nfs/dbraw/zinc/85/69/08/614856908.db2.gz YZPRPGBUCJILRG-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980485091 614894091 /nfs/dbraw/zinc/89/40/91/614894091.db2.gz FYVLYJJXGARQEU-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C(C)C)C1 ZINC000970451964 614980617 /nfs/dbraw/zinc/98/06/17/614980617.db2.gz WSZIWOPEMVZLBA-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000981963714 614982585 /nfs/dbraw/zinc/98/25/85/614982585.db2.gz JOTWTAOGAQIUQT-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000981963714 614982587 /nfs/dbraw/zinc/98/25/87/614982587.db2.gz JOTWTAOGAQIUQT-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000981963714 614982588 /nfs/dbraw/zinc/98/25/88/614982588.db2.gz JOTWTAOGAQIUQT-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CC[N@@H+](CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)C(C)C ZINC000957689822 615017337 /nfs/dbraw/zinc/01/73/37/615017337.db2.gz GOXIZFXFEPASML-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(C)C ZINC000957689822 615017338 /nfs/dbraw/zinc/01/73/38/615017338.db2.gz GOXIZFXFEPASML-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(C)C ZINC000957689822 615017342 /nfs/dbraw/zinc/01/73/42/615017342.db2.gz GOXIZFXFEPASML-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941214989 615025571 /nfs/dbraw/zinc/02/55/71/615025571.db2.gz IUIWYBZEAQBHTI-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940942277 615276429 /nfs/dbraw/zinc/27/64/29/615276429.db2.gz BZDPEKCJTHXODT-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947310039 615276559 /nfs/dbraw/zinc/27/65/59/615276559.db2.gz KOUAVOKXNZRXGW-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H](C(=O)N1CC[NH+](CCCC2CCC2)CC1)[NH+](C)C ZINC000957358882 615601447 /nfs/dbraw/zinc/60/14/47/615601447.db2.gz QKFRCSMPGCDWGP-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001024186308 625460642 /nfs/dbraw/zinc/46/06/42/625460642.db2.gz OYYBSYPJZNVRTL-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1C ZINC000892446406 625475278 /nfs/dbraw/zinc/47/52/78/625475278.db2.gz HSQAEOHAQVBPMG-UHFFFAOYSA-N 2 1 292.423 2.459 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC001024278967 625496892 /nfs/dbraw/zinc/49/68/92/625496892.db2.gz WGYOFADJAHXNND-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NC1CCCCCC1 ZINC000092277991 622581946 /nfs/dbraw/zinc/58/19/46/622581946.db2.gz LLYSBZLDHMYMJY-ZDUSSCGKSA-N 2 1 268.449 2.344 20 0 CEADMP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001020675681 622823419 /nfs/dbraw/zinc/82/34/19/622823419.db2.gz ATRAPAOZEPDVIV-BZUAXINKSA-N 2 1 295.471 2.142 20 0 CEADMP CC/C=C(\C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000725717026 623474407 /nfs/dbraw/zinc/47/44/07/623474407.db2.gz DMCZWPOBXGBZRA-HTRKUNOGSA-N 2 1 295.471 2.217 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000247487936 623537103 /nfs/dbraw/zinc/53/71/03/623537103.db2.gz KRLOAGYCLSMRGU-DOTOQJQBSA-N 2 1 276.424 2.220 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000247487936 623537106 /nfs/dbraw/zinc/53/71/06/623537106.db2.gz KRLOAGYCLSMRGU-DOTOQJQBSA-N 2 1 276.424 2.220 20 0 CEADMP C[C@@]1(Br)C[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000892492681 625660413 /nfs/dbraw/zinc/66/04/13/625660413.db2.gz SKJFXBLFNNEVOE-ZWNOBZJWSA-N 2 1 287.245 2.376 20 0 CEADMP C[C@H](O)C[N@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000891721805 623927904 /nfs/dbraw/zinc/92/79/04/623927904.db2.gz FZNYITJDTCWWNF-HNNXBMFYSA-N 2 1 276.424 2.211 20 0 CEADMP Cc1cc(N)nc(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)[nH+]1 ZINC000891736297 623933433 /nfs/dbraw/zinc/93/34/33/623933433.db2.gz JJYGXCBCWAEJBI-ZDUSSCGKSA-N 2 1 297.406 2.226 20 0 CEADMP Cc1cc(N)nc(NC[C@H](C)[N@H+]2CCc3ccccc3C2)[nH+]1 ZINC000891736297 623933435 /nfs/dbraw/zinc/93/34/35/623933435.db2.gz JJYGXCBCWAEJBI-ZDUSSCGKSA-N 2 1 297.406 2.226 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000074996937 623937933 /nfs/dbraw/zinc/93/79/33/623937933.db2.gz LIIXPSMSKACPLA-CABCVRRESA-N 2 1 289.423 2.376 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000074996937 623937938 /nfs/dbraw/zinc/93/79/38/623937938.db2.gz LIIXPSMSKACPLA-CABCVRRESA-N 2 1 289.423 2.376 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1cccc(C[NH+](C)C)c1 ZINC000926263651 624038612 /nfs/dbraw/zinc/03/86/12/624038612.db2.gz YVVOGUUUPRUJQU-OLZOCXBDSA-N 2 1 287.411 2.289 20 0 CEADMP CC1(C)C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000093678070 624133411 /nfs/dbraw/zinc/13/34/11/624133411.db2.gz PHXJLQWRAWDXDJ-AGUYFDCRSA-N 2 1 252.402 2.018 20 0 CEADMP CN(C)[C@@H](C[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2)c1cccs1 ZINC000924549242 625705106 /nfs/dbraw/zinc/70/51/06/625705106.db2.gz HMZVREQRVNEBHN-OJEWEXDKSA-N 2 1 293.480 2.281 20 0 CEADMP C[NH+](C)[C@@H](CNC1[C@@H]2CC[C@H]1C[N@@H+](C)C2)c1cccs1 ZINC000924549242 625705117 /nfs/dbraw/zinc/70/51/17/625705117.db2.gz HMZVREQRVNEBHN-OJEWEXDKSA-N 2 1 293.480 2.281 20 0 CEADMP C[NH+](C)[C@@H](CNC1[C@@H]2CC[C@H]1C[N@H+](C)C2)c1cccs1 ZINC000924549242 625705122 /nfs/dbraw/zinc/70/51/22/625705122.db2.gz HMZVREQRVNEBHN-OJEWEXDKSA-N 2 1 293.480 2.281 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(OC)o2)C1 ZINC000892146882 624353398 /nfs/dbraw/zinc/35/33/98/624353398.db2.gz ZTUHMWQSCQEPIY-CQSZACIVSA-N 2 1 296.411 2.221 20 0 CEADMP CCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CC1 ZINC000926515525 624964359 /nfs/dbraw/zinc/96/43/59/624964359.db2.gz XSANJZPONOHOGX-AGUYFDCRSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)OCC1CC1 ZINC000926588260 625194804 /nfs/dbraw/zinc/19/48/04/625194804.db2.gz NPCQXHPDGOLCFG-YIONKMFJSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC000235743937 625731130 /nfs/dbraw/zinc/73/11/30/625731130.db2.gz GPGICNZTYOLLNV-RYUDHWBXSA-N 2 1 250.411 2.494 20 0 CEADMP CCNC(NC[C@@H](c1cccs1)[NH+]1CCCC1)=[NH+]CC ZINC000066242363 625815942 /nfs/dbraw/zinc/81/59/42/625815942.db2.gz MKBNDZJCHBNHOM-ZDUSSCGKSA-N 2 1 294.468 2.460 20 0 CEADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C[C@H](C)O ZINC000820810693 634536512 /nfs/dbraw/zinc/53/65/12/634536512.db2.gz BZYKRZJFILHLEV-WYIYSYCWSA-N 2 1 266.429 2.141 20 0 CEADMP CS[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820829445 634544979 /nfs/dbraw/zinc/54/49/79/634544979.db2.gz JIUYFJQUROQQMS-WDFAYWTNSA-N 2 1 254.443 2.485 20 0 CEADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccnnc1 ZINC000924576947 627293334 /nfs/dbraw/zinc/29/33/34/627293334.db2.gz FNPFYEILYVSRPQ-AWEZNQCLSA-N 2 1 262.401 2.249 20 0 CEADMP CCn1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c(C)n1 ZINC000892622073 627318247 /nfs/dbraw/zinc/31/82/47/627318247.db2.gz NRQCHZJIOGTDCU-ZDUSSCGKSA-N 2 1 264.417 2.033 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H]1C[C@]1(C)Br ZINC000892622319 627319204 /nfs/dbraw/zinc/31/92/04/627319204.db2.gz HUWOTHBSUBVPSQ-NEPJUHHUSA-N 2 1 286.217 2.345 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(F)cc1C ZINC000892624834 627321351 /nfs/dbraw/zinc/32/13/51/627321351.db2.gz WZLIITWCISTNHQ-UHFFFAOYSA-N 2 1 262.332 2.214 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)N1CCC(C)CC1 ZINC000902326713 634589066 /nfs/dbraw/zinc/58/90/66/634589066.db2.gz DHKSWRLXBWDBHI-CVEARBPZSA-N 2 1 281.488 2.475 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cc[nH+]cc2CO)C1 ZINC000892703649 627693232 /nfs/dbraw/zinc/69/32/32/627693232.db2.gz MMGUBZUVGDCDCA-QGZVFWFLSA-N 2 1 297.402 2.285 20 0 CEADMP CN(C)c1ncccc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902335389 634596118 /nfs/dbraw/zinc/59/61/18/634596118.db2.gz AUCOYBMQJNGRLU-CQSZACIVSA-N 2 1 276.428 2.015 20 0 CEADMP C[C@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000902335411 634596165 /nfs/dbraw/zinc/59/61/65/634596165.db2.gz BAGWHOQTLQFESP-OAGGEKHMSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)N1CCC[C@@H](C)C1 ZINC000902335411 634596170 /nfs/dbraw/zinc/59/61/70/634596170.db2.gz BAGWHOQTLQFESP-OAGGEKHMSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000902335410 634596731 /nfs/dbraw/zinc/59/67/31/634596731.db2.gz BAGWHOQTLQFESP-BZUAXINKSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)N1CCC[C@@H](C)C1 ZINC000902335410 634596734 /nfs/dbraw/zinc/59/67/34/634596734.db2.gz BAGWHOQTLQFESP-BZUAXINKSA-N 2 1 281.488 2.475 20 0 CEADMP C[NH+](C)CC1(CN[C@@H]2CC[NH2+]CC(C)(C)C2)CCCC1 ZINC000902374746 634605871 /nfs/dbraw/zinc/60/58/71/634605871.db2.gz PSPIZAAHFHXDIL-OAHLLOKOSA-N 2 1 281.488 2.476 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000226543234 627829593 /nfs/dbraw/zinc/82/95/93/627829593.db2.gz KQYBZIQFCXEDKM-SOUVJXGZSA-N 2 1 254.418 2.264 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000902358202 634615098 /nfs/dbraw/zinc/61/50/98/634615098.db2.gz BPSCDMKJVCMCNL-OAHLLOKOSA-N 3 1 279.472 2.371 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000925503362 627995766 /nfs/dbraw/zinc/99/57/66/627995766.db2.gz NBDJZDPPZKNMKY-ILXRZTDVSA-N 2 1 267.461 2.227 20 0 CEADMP [NH3+]C1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000902407128 634621840 /nfs/dbraw/zinc/62/18/40/634621840.db2.gz POVCKZXUXPGEMX-SWLSCSKDSA-N 2 1 278.371 2.374 20 0 CEADMP c1nc2ccccc2n1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925508193 628017238 /nfs/dbraw/zinc/01/72/38/628017238.db2.gz OXIWYPYKLPLBIZ-INIZCTEOSA-N 2 1 284.407 2.301 20 0 CEADMP C[N@H+](CCN[C@@H]1C[C@@H]([NH3+])C12CCC2)Cc1ccc(F)cc1 ZINC000925529715 628125418 /nfs/dbraw/zinc/12/54/18/628125418.db2.gz GLBRIRIYNLPNPN-HZPDHXFCSA-N 2 1 291.414 2.117 20 0 CEADMP C[N@@H+](CCN[C@@H]1C[C@@H]([NH3+])C12CCC2)Cc1ccc(F)cc1 ZINC000925529715 628125422 /nfs/dbraw/zinc/12/54/22/628125422.db2.gz GLBRIRIYNLPNPN-HZPDHXFCSA-N 2 1 291.414 2.117 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H](NCc2ccc(C[NH3+])cc2)C1 ZINC000902394586 634633860 /nfs/dbraw/zinc/63/38/60/634633860.db2.gz YYHRWNMYYQSSHA-OAHLLOKOSA-N 2 1 261.413 2.013 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+]CC[C@@H](C)[S@@](C)=O)CC1 ZINC000925549200 628193223 /nfs/dbraw/zinc/19/32/23/628193223.db2.gz KSQJIVWQWNUBDV-AUUYWEPGSA-N 2 1 288.501 2.244 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000925600459 628279493 /nfs/dbraw/zinc/27/94/93/628279493.db2.gz WIXDULJMCSCKQU-ZDUSSCGKSA-N 2 1 279.453 2.295 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925608169 628289839 /nfs/dbraw/zinc/28/98/39/628289839.db2.gz ZYAMDYXFBWXDKC-KGLIPLIRSA-N 2 1 255.450 2.212 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925608169 628289842 /nfs/dbraw/zinc/28/98/42/628289842.db2.gz ZYAMDYXFBWXDKC-KGLIPLIRSA-N 3 1 255.450 2.212 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925608169 628289845 /nfs/dbraw/zinc/28/98/45/628289845.db2.gz ZYAMDYXFBWXDKC-KGLIPLIRSA-N 3 1 255.450 2.212 20 0 CEADMP COCCC1(C[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925616279 628301349 /nfs/dbraw/zinc/30/13/49/628301349.db2.gz LQVVGQHDNYXYCN-ZFWWWQNUSA-N 2 1 262.397 2.481 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cn2)C12CCC2 ZINC000925636490 628334763 /nfs/dbraw/zinc/33/47/63/628334763.db2.gz SSNWTLYMMMLGQN-NWDGAFQWSA-N 2 1 251.761 2.095 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]C(C)C)CC1 ZINC001026503453 628340015 /nfs/dbraw/zinc/34/00/15/628340015.db2.gz VPEUUELEAQLFEG-GPANFISMSA-N 2 1 295.471 2.286 20 0 CEADMP CC1(C)C[C@@H]([NH2+]Cc2ncnn2-c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925655765 628364225 /nfs/dbraw/zinc/36/42/25/628364225.db2.gz HPZOFEQMFPVVAR-KGLIPLIRSA-N 2 1 299.422 2.263 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCc1ccccc1F ZINC000925664285 628379783 /nfs/dbraw/zinc/37/97/83/628379783.db2.gz XSZMYZNLZNUMCI-IUODEOHRSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)[C@@H]1CCCC[NH2+]1 ZINC000902430141 634651220 /nfs/dbraw/zinc/65/12/20/634651220.db2.gz OYIXBZGSNGQCAO-PMOUVXMZSA-N 2 1 252.402 2.064 20 0 CEADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000902429884 634651890 /nfs/dbraw/zinc/65/18/90/634651890.db2.gz AXUPGYLXFOPGBS-SJXGUFTOSA-N 2 1 273.424 2.107 20 0 CEADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000902429883 634651894 /nfs/dbraw/zinc/65/18/94/634651894.db2.gz AXUPGYLXFOPGBS-RRCSTGOVSA-N 2 1 273.424 2.107 20 0 CEADMP OC[C@]1(C[NH2+][C@H]2CC[NH2+]C23CCC3)C[C@H]1c1ccccc1 ZINC000925669198 628451246 /nfs/dbraw/zinc/45/12/46/628451246.db2.gz QLKXECPVSHGMQY-YESZJQIVSA-N 2 1 286.419 2.027 20 0 CEADMP CC[C@H](CSC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925689232 628498616 /nfs/dbraw/zinc/49/86/16/628498616.db2.gz HOCSAPRZFXMCPH-FFHGMXDLSA-N 2 1 286.485 2.359 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000925690421 628505275 /nfs/dbraw/zinc/50/52/75/628505275.db2.gz VEZXUYCJFKESOK-HGTKMLMNSA-N 2 1 275.396 2.032 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000925697165 628532976 /nfs/dbraw/zinc/53/29/76/628532976.db2.gz YYQLQMVBFZFFPZ-TUUVXOQKSA-N 2 1 275.396 2.032 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000925704278 628547991 /nfs/dbraw/zinc/54/79/91/628547991.db2.gz FPOAIQRDINGNHL-CVEARBPZSA-N 2 1 264.413 2.043 20 0 CEADMP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CC[NH2+]2 ZINC000925706613 628553276 /nfs/dbraw/zinc/55/32/76/628553276.db2.gz NPBYJPSGTYXYHR-IXDOHACOSA-N 3 1 291.483 2.419 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925708254 628555890 /nfs/dbraw/zinc/55/58/90/628555890.db2.gz RGIKNLRITYOOBL-YESZJQIVSA-N 2 1 279.472 2.229 20 0 CEADMP CCCN1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925708254 628555892 /nfs/dbraw/zinc/55/58/92/628555892.db2.gz RGIKNLRITYOOBL-YESZJQIVSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@@H]([NH3+])[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000925724845 628626708 /nfs/dbraw/zinc/62/67/08/628626708.db2.gz DZAHCMOIWIMNOU-RRCSTGOVSA-N 3 1 261.413 2.182 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)cc1OC ZINC000902448021 634671231 /nfs/dbraw/zinc/67/12/31/634671231.db2.gz WVRMWVRZLWPVTA-LRDDRELGSA-N 2 1 292.423 2.222 20 0 CEADMP CC(=O)OC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488239 628649435 /nfs/dbraw/zinc/64/94/35/628649435.db2.gz QQXHLHLFYUGUIH-GZBFAFLISA-N 2 1 282.428 2.181 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902451005 634673049 /nfs/dbraw/zinc/67/30/49/634673049.db2.gz VNMFVUBXYYSLOZ-OIISXLGYSA-N 2 1 287.451 2.095 20 0 CEADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCSC(C)(C)C1 ZINC000902454192 634676068 /nfs/dbraw/zinc/67/60/68/634676068.db2.gz QZAISOXAGWLLJW-FRRDWIJNSA-N 2 1 272.458 2.017 20 0 CEADMP C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)c1c[nH+]ccc1N ZINC000902461028 634680882 /nfs/dbraw/zinc/68/08/82/634680882.db2.gz KQJLRRVYOMJNMM-SLEUVZQESA-N 2 1 273.380 2.104 20 0 CEADMP CC1(C)CCC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000399183683 628782139 /nfs/dbraw/zinc/78/21/39/628782139.db2.gz MSBTYYZDNOAJEJ-CQSZACIVSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)ccc1F ZINC000925790535 628834386 /nfs/dbraw/zinc/83/43/86/628834386.db2.gz IOIPVUYEFNUEIW-VWYCJHECSA-N 2 1 254.324 2.471 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@H]1OC ZINC000902471285 634687877 /nfs/dbraw/zinc/68/78/77/634687877.db2.gz LZNSEXUAZDQSPH-RYMFRWLXSA-N 2 1 252.402 2.063 20 0 CEADMP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C(C)C ZINC000925797715 628844100 /nfs/dbraw/zinc/84/41/00/628844100.db2.gz VDEFFSUBSYPFFU-UONOGXRCSA-N 2 1 254.418 2.169 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)[C@@H]1CCC[NH2+]1 ZINC000925805396 628855782 /nfs/dbraw/zinc/85/57/82/628855782.db2.gz ICRMWHPVVYHEQE-RHYQMDGZSA-N 2 1 280.334 2.217 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842228 628945284 /nfs/dbraw/zinc/94/52/84/628945284.db2.gz YSKVMTVJIQXDNX-JCURWCKSSA-N 2 1 288.439 2.032 20 0 CEADMP CC1([NH+]2CCC2)CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925861803 628961732 /nfs/dbraw/zinc/96/17/32/628961732.db2.gz SSICTSDRVIFHEO-PCKAHOCUSA-N 2 1 277.456 2.268 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)Nc1cc(NC)[nH+]cn1 ZINC000893925754 629047895 /nfs/dbraw/zinc/04/78/95/629047895.db2.gz PAHLOKNOAPNPBS-NSHDSACASA-N 2 1 251.378 2.051 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)Nc1cc(NC)[nH+]cn1 ZINC000893925754 629047900 /nfs/dbraw/zinc/04/79/00/629047900.db2.gz PAHLOKNOAPNPBS-NSHDSACASA-N 2 1 251.378 2.051 20 0 CEADMP [NH3+]C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000902487506 634704148 /nfs/dbraw/zinc/70/41/48/634704148.db2.gz IBBXGUVIUSZDNN-SAABIXHNSA-N 3 1 287.451 2.020 20 0 CEADMP CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261701351 629125671 /nfs/dbraw/zinc/12/56/71/629125671.db2.gz CMLYWZGHKVCVPN-SJORKVTESA-N 2 1 276.424 2.350 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCOc1cccc(F)c1 ZINC000902516057 634710654 /nfs/dbraw/zinc/71/06/54/634710654.db2.gz AKKUTXOIATZCJN-DOMZBBRYSA-N 2 1 266.360 2.325 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CCCCCC[NH3+] ZINC000237075496 629185638 /nfs/dbraw/zinc/18/56/38/629185638.db2.gz QARDLSDPYVGDGM-OAHLLOKOSA-N 2 1 283.460 2.228 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnc[nH]2)C1 ZINC000894180398 629193684 /nfs/dbraw/zinc/19/36/84/629193684.db2.gz GCSSFIQLLCQBCY-OKILXGFUSA-N 2 1 264.417 2.257 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2c[nH]cn2)C1 ZINC000894180398 629193688 /nfs/dbraw/zinc/19/36/88/629193688.db2.gz GCSSFIQLLCQBCY-OKILXGFUSA-N 2 1 264.417 2.257 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2c[nH]cn2)C1 ZINC000894180398 629193696 /nfs/dbraw/zinc/19/36/96/629193696.db2.gz GCSSFIQLLCQBCY-OKILXGFUSA-N 2 1 264.417 2.257 20 0 CEADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000924994844 629332844 /nfs/dbraw/zinc/33/28/44/629332844.db2.gz SIDFVJJNBMUOPW-ZNMIVQPWSA-N 2 1 254.418 2.024 20 0 CEADMP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@H]1[NH3+] ZINC000261958679 629396405 /nfs/dbraw/zinc/39/64/05/629396405.db2.gz OYLRZVQUGZMUJR-GXFFZTMASA-N 2 1 276.409 2.307 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@H]1[NH3+] ZINC000261958679 629396411 /nfs/dbraw/zinc/39/64/11/629396411.db2.gz OYLRZVQUGZMUJR-GXFFZTMASA-N 2 1 276.409 2.307 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1F ZINC000262028134 629449873 /nfs/dbraw/zinc/44/98/73/629449873.db2.gz WWHZXXJOTVZVDY-LBPRGKRZSA-N 2 1 252.333 2.005 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1F ZINC000262028134 629449876 /nfs/dbraw/zinc/44/98/76/629449876.db2.gz WWHZXXJOTVZVDY-LBPRGKRZSA-N 2 1 252.333 2.005 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000262029460 629475483 /nfs/dbraw/zinc/47/54/83/629475483.db2.gz NXYPMMXXHQDVDA-UHFFFAOYSA-N 2 1 262.401 2.040 20 0 CEADMP CCc1nnc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000894479097 629485804 /nfs/dbraw/zinc/48/58/04/629485804.db2.gz KBNWIWJBMSJXOB-ZDUSSCGKSA-N 2 1 294.468 2.264 20 0 CEADMP CCc1nnc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000894479097 629485810 /nfs/dbraw/zinc/48/58/10/629485810.db2.gz KBNWIWJBMSJXOB-ZDUSSCGKSA-N 2 1 294.468 2.264 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(NCC[C@@H](C)[NH+](C)C)c12 ZINC000894521076 629507959 /nfs/dbraw/zinc/50/79/59/629507959.db2.gz JYWJGOOTRCBQGN-SNVBAGLBSA-N 2 1 261.373 2.224 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000894528468 629514471 /nfs/dbraw/zinc/51/44/71/629514471.db2.gz VIXPIPNDDCVVED-NFOMZHRRSA-N 2 1 256.434 2.390 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000894528468 629514475 /nfs/dbraw/zinc/51/44/75/629514475.db2.gz VIXPIPNDDCVVED-NFOMZHRRSA-N 2 1 256.434 2.390 20 0 CEADMP COC(=O)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CC(C)C ZINC000894790701 629636779 /nfs/dbraw/zinc/63/67/79/629636779.db2.gz LKJCYPGESACLAG-KKUMJFAQSA-N 2 1 282.428 2.038 20 0 CEADMP C[NH+](C)C1(C[NH2+]CC2CCC3(CC2)OCCO3)CCCC1 ZINC000795888869 629699724 /nfs/dbraw/zinc/69/97/24/629699724.db2.gz FKUFMUSTYLDQJZ-UHFFFAOYSA-N 2 1 296.455 2.384 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CC1 ZINC000894867366 629705737 /nfs/dbraw/zinc/70/57/37/629705737.db2.gz MPVAPUNDMIMGFD-DLBZAZTESA-N 2 1 280.456 2.201 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@H](C)O1 ZINC000796343423 629860765 /nfs/dbraw/zinc/86/07/65/629860765.db2.gz BGIWNABPBLFDEN-ZSBIGDGJSA-N 2 1 283.441 2.250 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC000895097738 629892799 /nfs/dbraw/zinc/89/27/99/629892799.db2.gz PKJCZFHFERSSFI-MRXNPFEDSA-N 2 1 259.397 2.213 20 0 CEADMP C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1OCCCO1 ZINC000749512561 629913530 /nfs/dbraw/zinc/91/35/30/629913530.db2.gz AVLRKKNHDUSGRA-GDBMZVCRSA-N 2 1 294.439 2.088 20 0 CEADMP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1OCCCO1 ZINC000749512561 629913532 /nfs/dbraw/zinc/91/35/32/629913532.db2.gz AVLRKKNHDUSGRA-GDBMZVCRSA-N 2 1 294.439 2.088 20 0 CEADMP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1OCCCO1 ZINC000749512561 629913533 /nfs/dbraw/zinc/91/35/33/629913533.db2.gz AVLRKKNHDUSGRA-GDBMZVCRSA-N 2 1 294.439 2.088 20 0 CEADMP CC(C)O[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000895145243 629957203 /nfs/dbraw/zinc/95/72/03/629957203.db2.gz SZFZVPJCPZKXCV-OAHLLOKOSA-N 2 1 254.418 2.218 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2F)[C@@H]2CCC[C@@H]21 ZINC000796979148 630090145 /nfs/dbraw/zinc/09/01/45/630090145.db2.gz CDUCUAJKCKZWPJ-IHRRRGAJSA-N 2 1 263.360 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2F)[C@@H]2CCC[C@@H]21 ZINC000796979148 630090147 /nfs/dbraw/zinc/09/01/47/630090147.db2.gz CDUCUAJKCKZWPJ-IHRRRGAJSA-N 2 1 263.360 2.183 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C)C1CC1 ZINC000895381973 630153022 /nfs/dbraw/zinc/15/30/22/630153022.db2.gz YMBJIBMTNQTWGR-VNQPRFMTSA-N 2 1 268.445 2.464 20 0 CEADMP Cc1noc2ncc(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)cc12 ZINC000895392838 630162363 /nfs/dbraw/zinc/16/23/63/630162363.db2.gz SSOHNGKLOUQERE-CYBMUJFWSA-N 2 1 288.395 2.353 20 0 CEADMP Cc1noc2ncc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)cc12 ZINC000895392838 630162368 /nfs/dbraw/zinc/16/23/68/630162368.db2.gz SSOHNGKLOUQERE-CYBMUJFWSA-N 2 1 288.395 2.353 20 0 CEADMP CO[C@](C)(C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)C1CC1 ZINC000895556372 630247743 /nfs/dbraw/zinc/24/77/43/630247743.db2.gz JAADTCOGUFQQNS-RHSMWYFYSA-N 2 1 289.423 2.407 20 0 CEADMP C[C@H]1C[N@@H+](CCC[C@@H]2CCO2)CCN1c1cc[nH+]cc1 ZINC000895557412 630248542 /nfs/dbraw/zinc/24/85/42/630248542.db2.gz PJIOSQHJDONGEV-GOEBONIOSA-N 2 1 275.396 2.161 20 0 CEADMP COc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)o1 ZINC000896002739 630433939 /nfs/dbraw/zinc/43/39/39/630433939.db2.gz PUNMPXOOEBEGHS-ZDUSSCGKSA-N 2 1 287.363 2.394 20 0 CEADMP COc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)o1 ZINC000896002739 630433940 /nfs/dbraw/zinc/43/39/40/630433940.db2.gz PUNMPXOOEBEGHS-ZDUSSCGKSA-N 2 1 287.363 2.394 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C(C)C)C2)C1 ZINC000984644895 630537588 /nfs/dbraw/zinc/53/75/88/630537588.db2.gz HPGUYJLAOOYVLK-JYJNAYRXSA-N 2 1 295.471 2.001 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC000902783052 634827323 /nfs/dbraw/zinc/82/73/23/634827323.db2.gz VBIJJRDYCZYGBR-CJNGLKHVSA-N 2 1 285.391 2.421 20 0 CEADMP CC(C)[NH+](CCCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C)C(C)C ZINC000896791667 630670650 /nfs/dbraw/zinc/67/06/50/630670650.db2.gz UKFSPCYJJRTEAY-OAHLLOKOSA-N 2 1 297.487 2.484 20 0 CEADMP CCO[C@H](C[NH2+]CCc1ccc(C)c(C)c1)C[NH+](C)C ZINC000896876321 630698396 /nfs/dbraw/zinc/69/83/96/630698396.db2.gz DJIIZLHRNYSPHY-QGZVFWFLSA-N 2 1 278.440 2.402 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904301159 635554135 /nfs/dbraw/zinc/55/41/35/635554135.db2.gz HXRADQQJXZYYCA-WFASDCNBSA-N 2 1 260.381 2.181 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)C1 ZINC000904321017 635567581 /nfs/dbraw/zinc/56/75/81/635567581.db2.gz TWDPGMIICGQCPF-UKPHBRMFSA-N 2 1 274.408 2.096 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@H](c3ccccn3)C2)CCC[NH2+]C1 ZINC000904336167 635577620 /nfs/dbraw/zinc/57/76/20/635577620.db2.gz DUKZMEZUBUTRBF-GOEBONIOSA-N 2 1 259.397 2.261 20 0 CEADMP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000825332516 635618939 /nfs/dbraw/zinc/61/89/39/635618939.db2.gz ZKUABHPCVNCFRO-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000825332516 635618941 /nfs/dbraw/zinc/61/89/41/635618941.db2.gz ZKUABHPCVNCFRO-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CCC1(CC)CNC(=O)[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000897345729 631150864 /nfs/dbraw/zinc/15/08/64/631150864.db2.gz NPGZQXJDFQMLLT-CQSZACIVSA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@@H](C(=O)N1CCC([N@@H+](C)CCC2CC2)CC1)[NH+](C)C ZINC000985657085 631170313 /nfs/dbraw/zinc/17/03/13/631170313.db2.gz PVEWRLCDHNJRLC-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP COc1cccc(C)c1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897620518 631831075 /nfs/dbraw/zinc/83/10/75/631831075.db2.gz ROFSMCVILOFFBS-WMLDXEAASA-N 2 1 274.408 2.387 20 0 CEADMP COc1cccc(C)c1C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897620518 631831078 /nfs/dbraw/zinc/83/10/78/631831078.db2.gz ROFSMCVILOFFBS-WMLDXEAASA-N 2 1 274.408 2.387 20 0 CEADMP COc1cccc(C)c1C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000897620518 631831081 /nfs/dbraw/zinc/83/10/81/631831081.db2.gz ROFSMCVILOFFBS-WMLDXEAASA-N 2 1 274.408 2.387 20 0 CEADMP COc1cccc(C)c1C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897620518 631831083 /nfs/dbraw/zinc/83/10/83/631831083.db2.gz ROFSMCVILOFFBS-WMLDXEAASA-N 2 1 274.408 2.387 20 0 CEADMP C[C@H]1C[N@@H+](CC(C)(C)CN(C)Cc2ccccc2)C[C@@H]1O ZINC000897684863 631870018 /nfs/dbraw/zinc/87/00/18/631870018.db2.gz YAWJQOJRYLUAIE-RDJZCZTQSA-N 2 1 290.451 2.457 20 0 CEADMP C[C@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1O ZINC000897684863 631870019 /nfs/dbraw/zinc/87/00/19/631870019.db2.gz YAWJQOJRYLUAIE-RDJZCZTQSA-N 2 1 290.451 2.457 20 0 CEADMP C[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1O ZINC000897684863 631870020 /nfs/dbraw/zinc/87/00/20/631870020.db2.gz YAWJQOJRYLUAIE-RDJZCZTQSA-N 2 1 290.451 2.457 20 0 CEADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897969261 631995122 /nfs/dbraw/zinc/99/51/22/631995122.db2.gz HUUQPMXVLAMUSE-VNQPRFMTSA-N 2 1 259.397 2.229 20 0 CEADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897969259 631995145 /nfs/dbraw/zinc/99/51/45/631995145.db2.gz HUUQPMXVLAMUSE-FVQBIDKESA-N 2 1 259.397 2.229 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989483283 632184948 /nfs/dbraw/zinc/18/49/48/632184948.db2.gz RSFCTTJFTSEKNI-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1)CC(C)C ZINC000924634117 632369035 /nfs/dbraw/zinc/36/90/35/632369035.db2.gz XWHSMQGLOFKFHR-JYJNAYRXSA-N 2 1 297.487 2.390 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H]1CCCc2ccccc2C1)C[NH+](C)C ZINC000926959855 632386975 /nfs/dbraw/zinc/38/69/75/632386975.db2.gz KVRYHFPHOXWSOJ-MSOLQXFVSA-N 2 1 290.451 2.490 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000811512293 632393215 /nfs/dbraw/zinc/39/32/15/632393215.db2.gz KQVZPAOOQITJMW-AWEZNQCLSA-N 2 1 284.444 2.238 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000811512293 632393222 /nfs/dbraw/zinc/39/32/22/632393222.db2.gz KQVZPAOOQITJMW-AWEZNQCLSA-N 2 1 284.444 2.238 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cc(CO)on1 ZINC000924688209 632420151 /nfs/dbraw/zinc/42/01/51/632420151.db2.gz RQGHYBRKPLDHEH-KGLIPLIRSA-N 2 1 295.427 2.330 20 0 CEADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000924694777 632425510 /nfs/dbraw/zinc/42/55/10/632425510.db2.gz HAFGJLOUMVWFHC-WCVJEAGWSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cccc(OC)n1 ZINC000924707299 632442586 /nfs/dbraw/zinc/44/25/86/632442586.db2.gz UAKQVEJWUABGMC-ZIAGYGMSSA-N 2 1 277.412 2.473 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(OC)n1 ZINC000924707299 632442591 /nfs/dbraw/zinc/44/25/91/632442591.db2.gz UAKQVEJWUABGMC-ZIAGYGMSSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1cccc2c1[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000924754750 632793482 /nfs/dbraw/zinc/79/34/82/632793482.db2.gz GWUSYIPZTGBODS-CVEARBPZSA-N 2 1 274.408 2.029 20 0 CEADMP CC[C@](O)(C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C)C(F)(F)F ZINC000905132312 635838452 /nfs/dbraw/zinc/83/84/52/635838452.db2.gz MDPZBZCQRFPCLL-JQWIXIFHSA-N 2 1 284.366 2.256 20 0 CEADMP CC(C)CCOCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815145194 632972278 /nfs/dbraw/zinc/97/22/78/632972278.db2.gz PEIABTLKUMZKSN-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000815145194 632972280 /nfs/dbraw/zinc/97/22/80/632972280.db2.gz PEIABTLKUMZKSN-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000815145194 632972282 /nfs/dbraw/zinc/97/22/82/632972282.db2.gz PEIABTLKUMZKSN-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP COCC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000815641769 633042748 /nfs/dbraw/zinc/04/27/48/633042748.db2.gz HTYPHSIADMUJCE-GOOCMWNKSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C(C)C ZINC000900013147 633166631 /nfs/dbraw/zinc/16/66/31/633166631.db2.gz RCRNKOFOJCUXJD-HOTGVXAUSA-N 2 1 295.471 2.238 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCCCC1 ZINC000817578895 633700949 /nfs/dbraw/zinc/70/09/49/633700949.db2.gz ZHWDHWRWBFIZRY-HRCADAONSA-N 2 1 296.455 2.177 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCCCC1 ZINC000817578895 633700952 /nfs/dbraw/zinc/70/09/52/633700952.db2.gz ZHWDHWRWBFIZRY-HRCADAONSA-N 2 1 296.455 2.177 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])o1 ZINC000817912124 633769316 /nfs/dbraw/zinc/76/93/16/633769316.db2.gz FNXVQXORPKQAFM-FVQBIDKESA-N 2 1 288.391 2.170 20 0 CEADMP CC[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000817914139 633773106 /nfs/dbraw/zinc/77/31/06/633773106.db2.gz RLMORVPIJGSRTD-BZSNNMDCSA-N 2 1 288.435 2.331 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1c[nH+]ccc1N ZINC000817918417 633776547 /nfs/dbraw/zinc/77/65/47/633776547.db2.gz JJJJGUKDNZOWOK-OLZOCXBDSA-N 2 1 291.395 2.221 20 0 CEADMP C[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817917570 633777254 /nfs/dbraw/zinc/77/72/54/633777254.db2.gz OJCOMWVZOCYUJI-VNQPRFMTSA-N 2 1 274.408 2.230 20 0 CEADMP Fc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817926811 633782768 /nfs/dbraw/zinc/78/27/68/633782768.db2.gz AIBNMOMQRIUTGE-MELADBBJSA-N 2 1 263.360 2.231 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cnc1Cl ZINC000817933856 633786645 /nfs/dbraw/zinc/78/66/45/633786645.db2.gz VHRLFIJPJNKOES-JOYOIKCWSA-N 2 1 271.767 2.481 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)nn1C ZINC000817949721 633794357 /nfs/dbraw/zinc/79/43/57/633794357.db2.gz UEKJIVGSZPOMDB-CYBMUJFWSA-N 2 1 272.396 2.081 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000817958372 633800655 /nfs/dbraw/zinc/80/06/55/633800655.db2.gz IWSXLNDEPXFIIT-XJKSGUPXSA-N 2 1 289.423 2.447 20 0 CEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000817959727 633801478 /nfs/dbraw/zinc/80/14/78/633801478.db2.gz HQLZTVVAQDWJHO-WBMJQRKESA-N 2 1 287.407 2.201 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817966452 633807953 /nfs/dbraw/zinc/80/79/53/633807953.db2.gz OFFZEXKHBJIMAU-NEPJUHHUSA-N 2 1 277.368 2.031 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000817977842 633821471 /nfs/dbraw/zinc/82/14/71/633821471.db2.gz QGOCFOMPKNIBKO-UPJWGTAASA-N 2 1 275.396 2.200 20 0 CEADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)n(C)n1 ZINC000817985390 633828843 /nfs/dbraw/zinc/82/88/43/633828843.db2.gz JPEZPVCDCTYAOL-STQMWFEESA-N 2 1 262.401 2.054 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)C[N@@H+](C)C2CCC2)cc1F ZINC000900951686 633891542 /nfs/dbraw/zinc/89/15/42/633891542.db2.gz JWJVZUULOHEYJJ-UHFFFAOYSA-N 2 1 293.386 2.310 20 0 CEADMP CCCCOC(=O)[C@@H](C)[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000818341135 633913525 /nfs/dbraw/zinc/91/35/25/633913525.db2.gz WIKFERYQFGXJCT-ZIAGYGMSSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@H](O)c1ncc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000818431976 633921338 /nfs/dbraw/zinc/92/13/38/633921338.db2.gz YRRUUYIPMAMGQY-RYUDHWBXSA-N 2 1 295.452 2.160 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000819221541 634107812 /nfs/dbraw/zinc/10/78/12/634107812.db2.gz XZEHEIOWUWYUEK-WMLDXEAASA-N 2 1 274.408 2.268 20 0 CEADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000819278560 634125992 /nfs/dbraw/zinc/12/59/92/634125992.db2.gz QSEGQKXTLYAKDY-JCYILVPMSA-N 2 1 292.398 2.466 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC2(O)CCCCC2)C1 ZINC000819366674 634156487 /nfs/dbraw/zinc/15/64/87/634156487.db2.gz SGFRKAIFMJMKFR-AWEZNQCLSA-N 2 1 254.418 2.003 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000819366307 634157335 /nfs/dbraw/zinc/15/73/35/634157335.db2.gz NHKSZQWBILMUCF-BLLLJJGKSA-N 2 1 298.377 2.320 20 0 CEADMP CCO[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000902799943 634839353 /nfs/dbraw/zinc/83/93/53/634839353.db2.gz ICMDGRULGNBDME-GVDBMIGSSA-N 2 1 298.471 2.161 20 0 CEADMP O=C(C[NH+]1CCCC1)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000822582812 634947058 /nfs/dbraw/zinc/94/70/58/634947058.db2.gz GYXRQGNEGJTSTM-UHFFFAOYSA-N 2 1 296.374 2.281 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000251741525 634980342 /nfs/dbraw/zinc/98/03/42/634980342.db2.gz TYBUOOYESDLZPQ-UMVBOHGHSA-N 2 1 252.402 2.018 20 0 CEADMP CO[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000903121257 634980674 /nfs/dbraw/zinc/98/06/74/634980674.db2.gz PXCANKHZQDDNLJ-XUWVNRHRSA-N 2 1 284.444 2.033 20 0 CEADMP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CC1 ZINC000903127260 634983096 /nfs/dbraw/zinc/98/30/96/634983096.db2.gz HNKRIOTUXULBIO-WDVRLDOZSA-N 2 1 264.413 2.159 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H](C)[C@@H](C)[NH3+])n2)cn1 ZINC000822784907 634994989 /nfs/dbraw/zinc/99/49/89/634994989.db2.gz IKRMUWXIJPVNJZ-VHSXEESVSA-N 2 1 298.350 2.076 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H](CO)CCc2ccccc2)CC[N@@H+]1C ZINC000903290573 635053950 /nfs/dbraw/zinc/05/39/50/635053950.db2.gz YXHQOKPLWJRHOC-XIRDDKMYSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H](CO)CCc2ccccc2)CC[N@H+]1C ZINC000903290573 635053951 /nfs/dbraw/zinc/05/39/51/635053951.db2.gz YXHQOKPLWJRHOC-XIRDDKMYSA-N 2 1 276.424 2.052 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2cccc(F)c2)[C@H](C)C1 ZINC000903311718 635060714 /nfs/dbraw/zinc/06/07/14/635060714.db2.gz VWBGDPBMYYKOAW-COXVUDFISA-N 2 1 294.414 2.353 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903422909 635123273 /nfs/dbraw/zinc/12/32/73/635123273.db2.gz MQEFWPIXZVZOBQ-IACUBPJLSA-N 2 1 266.335 2.316 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C(C)C ZINC000903460867 635126073 /nfs/dbraw/zinc/12/60/73/635126073.db2.gz KNASEASVFHQQNV-MWDXBVQZSA-N 2 1 298.471 2.123 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)C2 ZINC000903464497 635126304 /nfs/dbraw/zinc/12/63/04/635126304.db2.gz PSEVSICTUYYOBB-LBELIVKGSA-N 2 1 256.340 2.091 20 0 CEADMP CCc1ccc2ccccc2c1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000903453671 635137034 /nfs/dbraw/zinc/13/70/34/635137034.db2.gz HLUYMPGZQPHIPN-OAHLLOKOSA-N 2 1 272.392 2.154 20 0 CEADMP C[C@H](c1ncccn1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000903454034 635137828 /nfs/dbraw/zinc/13/78/28/635137828.db2.gz RVQDHQHSYPXWOC-TZMCWYRMSA-N 2 1 260.385 2.002 20 0 CEADMP COC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457093 635140150 /nfs/dbraw/zinc/14/01/50/635140150.db2.gz NFXRAWAFMXERCB-IKGGRYGDSA-N 2 1 276.424 2.303 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494514 635157017 /nfs/dbraw/zinc/15/70/17/635157017.db2.gz IAOJWOYYAZQFBR-KLHDSHLOSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[N@@H+](CCO[C@H]2CCCC[C@H]2C)C[C@H]1CC[NH3+] ZINC000903497492 635157763 /nfs/dbraw/zinc/15/77/63/635157763.db2.gz ZZRIEAXCCXSIMY-FPCVCCKLSA-N 2 1 268.445 2.498 20 0 CEADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494516 635158140 /nfs/dbraw/zinc/15/81/40/635158140.db2.gz IAOJWOYYAZQFBR-QXSJWSMHSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[N@@H+](CCO[C@H]2CCCC[C@@H]2C)C[C@H]1CC[NH3+] ZINC000903497493 635158454 /nfs/dbraw/zinc/15/84/54/635158454.db2.gz ZZRIEAXCCXSIMY-JJXSEGSLSA-N 2 1 268.445 2.498 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717523 635232420 /nfs/dbraw/zinc/23/24/20/635232420.db2.gz QXFJYILXKNLJCL-QLFBSQMISA-N 2 1 266.429 2.408 20 0 CEADMP C[N@@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)CC(C)(C)C[NH3+] ZINC000903717568 635232639 /nfs/dbraw/zinc/23/26/39/635232639.db2.gz RXLYKMMRDPRGGY-QWRGUYRKSA-N 2 1 282.350 2.403 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718700 635233766 /nfs/dbraw/zinc/23/37/66/635233766.db2.gz QTLNWVXBSHRJFF-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]C1 ZINC000903722168 635235853 /nfs/dbraw/zinc/23/58/53/635235853.db2.gz IBRJXLONIQOJSZ-WBVHZDCISA-N 2 1 276.424 2.259 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)CC1CCCCC1 ZINC000903724514 635237574 /nfs/dbraw/zinc/23/75/74/635237574.db2.gz OFGZYSDYBFLFIN-HOTGVXAUSA-N 2 1 266.429 2.267 20 0 CEADMP C[N@@H+](CC1CCCC1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903726048 635238358 /nfs/dbraw/zinc/23/83/58/635238358.db2.gz JVLTWQQVBBLUPN-OAHLLOKOSA-N 2 1 266.429 2.267 20 0 CEADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C1CC1)C1CC1 ZINC000903725805 635238828 /nfs/dbraw/zinc/23/88/28/635238828.db2.gz HUOSZCCBTNVMIN-HNNXBMFYSA-N 2 1 278.440 2.266 20 0 CEADMP c1ccc2c(c1)CCC[N@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903729671 635240564 /nfs/dbraw/zinc/24/05/64/635240564.db2.gz QJWXRSODXJKCTM-MSOLQXFVSA-N 2 1 286.419 2.203 20 0 CEADMP CCS[C@@H]1CCCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903729532 635241312 /nfs/dbraw/zinc/24/13/12/635241312.db2.gz OAMKAJFIROGYRN-XHSDSOJGSA-N 2 1 298.496 2.363 20 0 CEADMP CC[C@@H]1CCCCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903734418 635250024 /nfs/dbraw/zinc/25/00/24/635250024.db2.gz QKKUPBFHGWWRRG-OWCLPIDISA-N 2 1 266.429 2.410 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903742585 635254678 /nfs/dbraw/zinc/25/46/78/635254678.db2.gz XQMZEQFLHWOXLR-HOCLYGCPSA-N 2 1 276.428 2.255 20 0 CEADMP CCn1nc(C)c(C[N@H+](C)C[C@@H]2CCCC[NH2+]C2)c1C ZINC000903775503 635265078 /nfs/dbraw/zinc/26/50/78/635265078.db2.gz LSRBWLDUFJYWGH-OAHLLOKOSA-N 2 1 278.444 2.341 20 0 CEADMP CCn1nc(C)c(C[N@@H+](C)C[C@@H]2CCCC[NH2+]C2)c1C ZINC000903775503 635265079 /nfs/dbraw/zinc/26/50/79/635265079.db2.gz LSRBWLDUFJYWGH-OAHLLOKOSA-N 2 1 278.444 2.341 20 0 CEADMP Fc1cccc(N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC000903779381 635266079 /nfs/dbraw/zinc/26/60/79/635266079.db2.gz YDMGWYSWVNOZCI-OAHLLOKOSA-N 2 1 291.414 2.337 20 0 CEADMP CC1CC(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000903781941 635266997 /nfs/dbraw/zinc/26/69/97/635266997.db2.gz XWJSUWZJJQUVHV-JPPWEJMLSA-N 2 1 250.308 2.102 20 0 CEADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903785892 635269999 /nfs/dbraw/zinc/26/99/99/635269999.db2.gz AOTSSGULSUIHQK-ZMSDIMECSA-N 2 1 296.455 2.035 20 0 CEADMP CC(C)OCC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903814500 635272228 /nfs/dbraw/zinc/27/22/28/635272228.db2.gz MKOWVFXENYXDJN-CQSZACIVSA-N 2 1 254.418 2.395 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@H]3CC[C@@]32C[NH3+])c1C ZINC000903800531 635277245 /nfs/dbraw/zinc/27/72/45/635277245.db2.gz WHXLHMLRHARCBO-WMLDXEAASA-N 2 1 289.423 2.410 20 0 CEADMP C[C@H]1CCCC[C@@H]1OCC[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000903807806 635282285 /nfs/dbraw/zinc/28/22/85/635282285.db2.gz UVFNWYJGJYOULK-GJZGRUSLSA-N 2 1 284.444 2.021 20 0 CEADMP C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000903807806 635282290 /nfs/dbraw/zinc/28/22/90/635282290.db2.gz UVFNWYJGJYOULK-GJZGRUSLSA-N 2 1 284.444 2.021 20 0 CEADMP Cc1nnsc1C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903811796 635286089 /nfs/dbraw/zinc/28/60/89/635286089.db2.gz NOARBTAJXJHNJH-CYBMUJFWSA-N 2 1 280.441 2.330 20 0 CEADMP Cc1nnsc1C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903811796 635286093 /nfs/dbraw/zinc/28/60/93/635286093.db2.gz NOARBTAJXJHNJH-CYBMUJFWSA-N 2 1 280.441 2.330 20 0 CEADMP Cn1cc([C@@H]2CSCCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000903829430 635295992 /nfs/dbraw/zinc/29/59/92/635295992.db2.gz GRQBOAPLLGVFNA-SNPRPXQTSA-N 2 1 294.468 2.028 20 0 CEADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)nc1 ZINC000903831076 635295998 /nfs/dbraw/zinc/29/59/98/635295998.db2.gz CUNBGYUUZUIBIJ-CZUORRHYSA-N 2 1 275.396 2.227 20 0 CEADMP COc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2C[NH2+]C[C@H]2C)nc1 ZINC000903832323 635296666 /nfs/dbraw/zinc/29/66/66/635296666.db2.gz QCXFNKLCZXHKAY-DVOMOZLQSA-N 2 1 275.396 2.083 20 0 CEADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@H]2C[NH2+]C[C@H]2C)nc1 ZINC000903832323 635296672 /nfs/dbraw/zinc/29/66/72/635296672.db2.gz QCXFNKLCZXHKAY-DVOMOZLQSA-N 2 1 275.396 2.083 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C2 ZINC000903839035 635298923 /nfs/dbraw/zinc/29/89/23/635298923.db2.gz HLCSCWXHRXKZGE-OXUWNYNTSA-N 2 1 298.789 2.324 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C2 ZINC000903839035 635298927 /nfs/dbraw/zinc/29/89/27/635298927.db2.gz HLCSCWXHRXKZGE-OXUWNYNTSA-N 2 1 298.789 2.324 20 0 CEADMP CC1(C)CC(C[N@H+]2CC[NH2+]CCC23CCOCC3)C1 ZINC000903818282 635299713 /nfs/dbraw/zinc/29/97/13/635299713.db2.gz FKFVGJZYGDCSOO-UHFFFAOYSA-N 2 1 266.429 2.267 20 0 CEADMP C([C@@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC1 ZINC000903888693 635316754 /nfs/dbraw/zinc/31/67/54/635316754.db2.gz JGLPFJCFERQFDQ-HMQMGEFJSA-N 2 1 277.456 2.077 20 0 CEADMP C([C@@H]1CCCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCCC1 ZINC000903888693 635316759 /nfs/dbraw/zinc/31/67/59/635316759.db2.gz JGLPFJCFERQFDQ-HMQMGEFJSA-N 2 1 277.456 2.077 20 0 CEADMP CC(C)(C)[C@@H]1CCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903890908 635318299 /nfs/dbraw/zinc/31/82/99/635318299.db2.gz HWMFMODHZGDVFY-HIFRSBDPSA-N 2 1 291.443 2.213 20 0 CEADMP C(C[N@@H+]1CCC[C@]12CC[NH2+]C2)C1SCCS1 ZINC000903870317 635318901 /nfs/dbraw/zinc/31/89/01/635318901.db2.gz MUXAYMPTJMEGAA-GFCCVEGCSA-N 2 1 258.456 2.011 20 0 CEADMP C(C[N@H+]1CCC[C@]12CC[NH2+]C2)C1SCCS1 ZINC000903870317 635318910 /nfs/dbraw/zinc/31/89/10/635318910.db2.gz MUXAYMPTJMEGAA-GFCCVEGCSA-N 2 1 258.456 2.011 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2CC(C)C)cnn1C ZINC000903884361 635325911 /nfs/dbraw/zinc/32/59/11/635325911.db2.gz XTBRPNHQZZOLPU-DOTOQJQBSA-N 2 1 292.471 2.356 20 0 CEADMP CCC1(CC)CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903892356 635328823 /nfs/dbraw/zinc/32/88/23/635328823.db2.gz HTELQCGRNNXLQS-AWEZNQCLSA-N 2 1 291.443 2.215 20 0 CEADMP [NH3+][C@@H](CC(F)F)C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000903893417 635329036 /nfs/dbraw/zinc/32/90/36/635329036.db2.gz VADOWRGKUVACGE-ZFWWWQNUSA-N 2 1 298.377 2.341 20 0 CEADMP [NH3+][C@@H](CC(F)F)C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000903893417 635329042 /nfs/dbraw/zinc/32/90/42/635329042.db2.gz VADOWRGKUVACGE-ZFWWWQNUSA-N 2 1 298.377 2.341 20 0 CEADMP [NH3+][C@@H](CC(F)F)C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000903893414 635329321 /nfs/dbraw/zinc/32/93/21/635329321.db2.gz VADOWRGKUVACGE-DZGCQCFKSA-N 2 1 298.377 2.341 20 0 CEADMP [NH3+][C@@H](CC(F)F)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000903893414 635329324 /nfs/dbraw/zinc/32/93/24/635329324.db2.gz VADOWRGKUVACGE-DZGCQCFKSA-N 2 1 298.377 2.341 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903894959 635329814 /nfs/dbraw/zinc/32/98/14/635329814.db2.gz IUBUFHDRNRZQSI-ILXRZTDVSA-N 2 1 291.443 2.213 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2C(C)C)cnn1C ZINC000903895601 635331814 /nfs/dbraw/zinc/33/18/14/635331814.db2.gz OTCATNQGNZDDTC-NVXWUHKLSA-N 2 1 292.471 2.356 20 0 CEADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CCCC[C@@H]1O ZINC000903903070 635339289 /nfs/dbraw/zinc/33/92/89/635339289.db2.gz RJSRTSAMMGBYOW-WMZOPIPTSA-N 2 1 288.435 2.315 20 0 CEADMP COc1ccc(C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000903906186 635340330 /nfs/dbraw/zinc/34/03/30/635340330.db2.gz UCPNXNNNBIRGOH-GOOCMWNKSA-N 2 1 275.396 2.053 20 0 CEADMP COCC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H]1CC[C@H](C)C1 ZINC000903912919 635346488 /nfs/dbraw/zinc/34/64/88/635346488.db2.gz KDSUAPOQXBHJCE-TUAOUCFPSA-N 2 1 264.360 2.106 20 0 CEADMP [NH3+][C@@H](C[NH2+]CCc1ccccc1Cl)CC(F)F ZINC000903919943 635348808 /nfs/dbraw/zinc/34/88/08/635348808.db2.gz GJHCCCWVAJVEJR-SNVBAGLBSA-N 2 1 262.731 2.455 20 0 CEADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903921841 635349977 /nfs/dbraw/zinc/34/99/77/635349977.db2.gz REBYKQZEGDROEA-BXKDBHETSA-N 2 1 270.323 2.255 20 0 CEADMP [NH3+][C@H](C[NH2+]CC[C@@H]1CCc2ccccc2N1)CC(F)F ZINC000903933081 635358698 /nfs/dbraw/zinc/35/86/98/635358698.db2.gz YGSIMMNCXXKSKX-STQMWFEESA-N 2 1 283.366 2.376 20 0 CEADMP CCOc1cccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000903959477 635369983 /nfs/dbraw/zinc/36/99/83/635369983.db2.gz ISDGCTBAJHVHQA-KRWDZBQOSA-N 2 1 289.423 2.446 20 0 CEADMP CCOc1cccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000903959477 635369984 /nfs/dbraw/zinc/36/99/84/635369984.db2.gz ISDGCTBAJHVHQA-KRWDZBQOSA-N 2 1 289.423 2.446 20 0 CEADMP CCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974002 635391543 /nfs/dbraw/zinc/39/15/43/635391543.db2.gz SBRLSAPOEWFNRP-KBPBESRZSA-N 2 1 254.418 2.313 20 0 CEADMP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903986188 635404823 /nfs/dbraw/zinc/40/48/23/635404823.db2.gz HJTIMQFQOPNIMZ-OPFPJEHXSA-N 3 1 289.414 2.356 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000824658576 635472433 /nfs/dbraw/zinc/47/24/33/635472433.db2.gz MULVSOHXTIWCMS-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000824658576 635472438 /nfs/dbraw/zinc/47/24/38/635472438.db2.gz MULVSOHXTIWCMS-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000824658576 635472442 /nfs/dbraw/zinc/47/24/42/635472442.db2.gz MULVSOHXTIWCMS-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP COc1ccc(OCC[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904304138 635555571 /nfs/dbraw/zinc/55/55/71/635555571.db2.gz SFTXLXJNOCBDMQ-KRWDZBQOSA-N 2 1 292.423 2.396 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)C1 ZINC000904317465 635564178 /nfs/dbraw/zinc/56/41/78/635564178.db2.gz YVJMRNRPSODDQL-TYNCELHUSA-N 2 1 280.799 2.451 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)C1 ZINC000904317465 635564183 /nfs/dbraw/zinc/56/41/83/635564183.db2.gz YVJMRNRPSODDQL-TYNCELHUSA-N 2 1 280.799 2.451 20 0 CEADMP CCS[C@@H](C)c1noc(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000904328126 635573596 /nfs/dbraw/zinc/57/35/96/635573596.db2.gz LZJKGVSBQVUIDF-GARJFASQSA-N 2 1 284.429 2.053 20 0 CEADMP CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000904328126 635573603 /nfs/dbraw/zinc/57/36/03/635573603.db2.gz LZJKGVSBQVUIDF-GARJFASQSA-N 2 1 284.429 2.053 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)C1 ZINC000904328304 635573711 /nfs/dbraw/zinc/57/37/11/635573711.db2.gz NEABUHNSCQEAGU-VJUNAUMWSA-N 2 1 292.398 2.451 20 0 CEADMP C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904329156 635575252 /nfs/dbraw/zinc/57/52/52/635575252.db2.gz LBZGIQNABPBONG-WAAGHKOSSA-N 2 1 258.287 2.273 20 0 CEADMP C[C@@]1(C[N@@H+]2CCC[C@@H](OC(F)F)C2)CCC[NH2+]C1 ZINC000904332517 635576413 /nfs/dbraw/zinc/57/64/13/635576413.db2.gz QOHBKIVGUDTKPE-DGCLKSJQSA-N 2 1 262.344 2.080 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@@H](OC(F)F)C2)CCC[NH2+]C1 ZINC000904332517 635576415 /nfs/dbraw/zinc/57/64/15/635576415.db2.gz QOHBKIVGUDTKPE-DGCLKSJQSA-N 2 1 262.344 2.080 20 0 CEADMP CC(C)(C)[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC000904346927 635583179 /nfs/dbraw/zinc/58/31/79/635583179.db2.gz ZUNVVGNEDHOLQJ-LZWOXQAQSA-N 2 1 268.445 2.105 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000904350247 635584555 /nfs/dbraw/zinc/58/45/55/635584555.db2.gz JHVYAUKUQDCBKT-ZWKOTPCHSA-N 3 1 287.451 2.357 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@]1(C)CCC[NH2+]C1)CCOCC2 ZINC000904374538 635595583 /nfs/dbraw/zinc/59/55/83/635595583.db2.gz SYNXSWBTCYWHAZ-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)CCCO2 ZINC000904375859 635601878 /nfs/dbraw/zinc/60/18/78/635601878.db2.gz IAPVSOUPLWMNTE-WFASDCNBSA-N 2 1 260.381 2.323 20 0 CEADMP c1cn(C2CC2)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000904377354 635603447 /nfs/dbraw/zinc/60/34/47/635603447.db2.gz OIMYSXKXCZPKIX-OAHLLOKOSA-N 2 1 288.439 2.430 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000904405531 635612122 /nfs/dbraw/zinc/61/21/22/635612122.db2.gz NEFMQPYEENMDBP-LBPRGKRZSA-N 2 1 288.420 2.376 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@H](CC[NH3+])C2)c1C ZINC000904405660 635612250 /nfs/dbraw/zinc/61/22/50/635612250.db2.gz MGRCJGINASZGPK-AWEZNQCLSA-N 2 1 264.417 2.081 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cn1 ZINC000904406750 635614154 /nfs/dbraw/zinc/61/41/54/635614154.db2.gz ZJGSHIXWFJLCOT-AWEZNQCLSA-N 2 1 276.428 2.097 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000904406180 635614164 /nfs/dbraw/zinc/61/41/64/635614164.db2.gz SYHKDOBGNJHCAU-CYBMUJFWSA-N 2 1 255.365 2.406 20 0 CEADMP COCCOc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904410163 635616654 /nfs/dbraw/zinc/61/66/54/635616654.db2.gz CNZQWYCZORBVRT-CABCVRRESA-N 2 1 292.423 2.129 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905041333 635783140 /nfs/dbraw/zinc/78/31/40/635783140.db2.gz HMTRIDABKPGYPE-KGLIPLIRSA-N 2 1 298.500 2.260 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC000905043864 635785030 /nfs/dbraw/zinc/78/50/30/635785030.db2.gz ZWDAMOAKGSHLPE-KGLIPLIRSA-N 2 1 298.500 2.116 20 0 CEADMP CC[C@@](O)(C[NH2+]C[C@@H](C)C[NH+]1CCCCC1)C(F)(F)F ZINC000905054989 635794696 /nfs/dbraw/zinc/79/46/96/635794696.db2.gz MIKFRADNTCZRRT-CHWSQXEVSA-N 2 1 296.377 2.401 20 0 CEADMP CC[C@](O)(C[NH2+]C[C@@H](C)C[NH+]1CCCCC1)C(F)(F)F ZINC000905054994 635794498 /nfs/dbraw/zinc/79/44/98/635794498.db2.gz MIKFRADNTCZRRT-OLZOCXBDSA-N 2 1 296.377 2.401 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000905286887 636209814 /nfs/dbraw/zinc/20/98/14/636209814.db2.gz SVKDMHAGARCGIE-DOTOQJQBSA-N 2 1 276.424 2.350 20 0 CEADMP [NH3+]C[C@@H]1CCCc2ccc(-c3nc(C4([NH3+])CC4)no3)cc21 ZINC000905327753 636224882 /nfs/dbraw/zinc/22/48/82/636224882.db2.gz SWEWJZQMFAVWNM-LBPRGKRZSA-N 2 1 284.363 2.063 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000906508077 636759436 /nfs/dbraw/zinc/75/94/36/636759436.db2.gz KEPRVMSIXHIHBN-HDJSIYSDSA-N 2 1 290.798 2.164 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000908250983 637274846 /nfs/dbraw/zinc/27/48/46/637274846.db2.gz SNEMGPDPWHOGAP-JYJNAYRXSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000908250983 637274853 /nfs/dbraw/zinc/27/48/53/637274853.db2.gz SNEMGPDPWHOGAP-JYJNAYRXSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000908250983 637274857 /nfs/dbraw/zinc/27/48/57/637274857.db2.gz SNEMGPDPWHOGAP-JYJNAYRXSA-N 2 1 295.471 2.240 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000909050943 637587795 /nfs/dbraw/zinc/58/77/95/637587795.db2.gz FOMSPOMBYOJCDV-IRXDYDNUSA-N 2 1 274.408 2.280 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000909050943 637587797 /nfs/dbraw/zinc/58/77/97/637587797.db2.gz FOMSPOMBYOJCDV-IRXDYDNUSA-N 2 1 274.408 2.280 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+]([C@H](C)CC)CC2)C1 ZINC000909263051 637664985 /nfs/dbraw/zinc/66/49/85/637664985.db2.gz YGFHLDRCCCYAGL-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCCn1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)nn1 ZINC000876625507 650366061 /nfs/dbraw/zinc/36/60/61/650366061.db2.gz WYLUVGAITUWZAV-UHFFFAOYSA-N 2 1 293.459 2.240 20 0 CEADMP CCCn1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)nn1 ZINC000876625507 650366066 /nfs/dbraw/zinc/36/60/66/650366066.db2.gz WYLUVGAITUWZAV-UHFFFAOYSA-N 2 1 293.459 2.240 20 0 CEADMP CCCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924852852 639190481 /nfs/dbraw/zinc/19/04/81/639190481.db2.gz KIGOHMIJDVLVNP-MQVJKMGUSA-N 2 1 284.444 2.035 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1COC(=O)[C@@H]1CCCCN1C ZINC000837538757 639271422 /nfs/dbraw/zinc/27/14/22/639271422.db2.gz QOZUGFGHAQXFBY-GJZGRUSLSA-N 2 1 282.428 2.277 20 0 CEADMP CC(C)[C@H](C(=O)OC[C@@H]1CCCC[N@@H+]1C(C)C)[NH+](C)C ZINC000837681172 639341213 /nfs/dbraw/zinc/34/12/13/639341213.db2.gz MMIPKUZDZGDRPR-LSDHHAIUSA-N 2 1 284.444 2.379 20 0 CEADMP CC(C)[C@H](C(=O)OC[C@@H]1CCCC[N@H+]1C(C)C)[NH+](C)C ZINC000837681172 639341217 /nfs/dbraw/zinc/34/12/17/639341217.db2.gz MMIPKUZDZGDRPR-LSDHHAIUSA-N 2 1 284.444 2.379 20 0 CEADMP COc1c(C)cnc(C[NH2+]CCCn2cc[nH+]c2C)c1C ZINC000876946084 650499341 /nfs/dbraw/zinc/49/93/41/650499341.db2.gz NRIVJIVLRQYEGZ-UHFFFAOYSA-N 2 1 288.395 2.392 20 0 CEADMP Cc1cccc([C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000166765170 639484706 /nfs/dbraw/zinc/48/47/06/639484706.db2.gz XCHWKMJHBOPWQT-KZNAEPCWSA-N 2 1 288.435 2.445 20 0 CEADMP Cc1cccc([C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000166765170 639484709 /nfs/dbraw/zinc/48/47/09/639484709.db2.gz XCHWKMJHBOPWQT-KZNAEPCWSA-N 2 1 288.435 2.445 20 0 CEADMP Cc1cccc([C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000166765170 639484711 /nfs/dbraw/zinc/48/47/11/639484711.db2.gz XCHWKMJHBOPWQT-KZNAEPCWSA-N 2 1 288.435 2.445 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000225891754 639515287 /nfs/dbraw/zinc/51/52/87/639515287.db2.gz PCSYZRNNTZZRQO-IXDOHACOSA-N 2 1 274.408 2.184 20 0 CEADMP CCCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226329768 639537187 /nfs/dbraw/zinc/53/71/87/639537187.db2.gz DYQGGLSIRHBLKS-CABCVRRESA-N 2 1 283.460 2.132 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccnc3Cl)C[C@H]21 ZINC000228474704 639636533 /nfs/dbraw/zinc/63/65/33/639636533.db2.gz WBEPJXNNIMOOPA-RAIGVLPGSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccnc3Cl)C[C@H]21 ZINC000228474704 639636536 /nfs/dbraw/zinc/63/65/36/639636536.db2.gz WBEPJXNNIMOOPA-RAIGVLPGSA-N 2 1 265.788 2.294 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cnc1Cl ZINC000841065233 639640601 /nfs/dbraw/zinc/64/06/01/639640601.db2.gz ZHNHLBAGQASRKC-JQWIXIFHSA-N 2 1 253.777 2.131 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1cc2cccc(OC)c2o1 ZINC000841104446 639682377 /nfs/dbraw/zinc/68/23/77/639682377.db2.gz RPAZAVCAWSPDSB-UHFFFAOYSA-N 2 1 262.353 2.483 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1cc2cccc(OC)c2o1 ZINC000841104446 639682385 /nfs/dbraw/zinc/68/23/85/639682385.db2.gz RPAZAVCAWSPDSB-UHFFFAOYSA-N 2 1 262.353 2.483 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000842472159 639976920 /nfs/dbraw/zinc/97/69/20/639976920.db2.gz SWMWQKFKNUXNPH-MRXNPFEDSA-N 2 1 295.471 2.373 20 0 CEADMP Cc1noc(C)c1C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000842471692 640071694 /nfs/dbraw/zinc/07/16/94/640071694.db2.gz TUQKNBVCRPSHDV-CYBMUJFWSA-N 2 1 251.374 2.113 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000842474651 640073636 /nfs/dbraw/zinc/07/36/36/640073636.db2.gz WOEIFMRNGMBSFU-GJZGRUSLSA-N 2 1 282.428 2.184 20 0 CEADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCCCCCC[NH3+] ZINC000842475686 640074833 /nfs/dbraw/zinc/07/48/33/640074833.db2.gz AHSAAUIVDXLKDW-CYBMUJFWSA-N 2 1 271.449 2.131 20 0 CEADMP CC(C)Cn1nccc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000842673510 640145703 /nfs/dbraw/zinc/14/57/03/640145703.db2.gz OQJKUCREZMSWIL-HNNXBMFYSA-N 2 1 278.444 2.359 20 0 CEADMP CC(C)Cn1nccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000842673510 640145710 /nfs/dbraw/zinc/14/57/10/640145710.db2.gz OQJKUCREZMSWIL-HNNXBMFYSA-N 2 1 278.444 2.359 20 0 CEADMP CCc1nn(C)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000843059897 640262215 /nfs/dbraw/zinc/26/22/15/640262215.db2.gz UDCLNDMZKDWMIN-DMDPSCGWSA-N 2 1 296.846 2.195 20 0 CEADMP CCc1nn(C)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000843059897 640262219 /nfs/dbraw/zinc/26/22/19/640262219.db2.gz UDCLNDMZKDWMIN-DMDPSCGWSA-N 2 1 296.846 2.195 20 0 CEADMP C([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCCOC1 ZINC000843098056 640279616 /nfs/dbraw/zinc/27/96/16/640279616.db2.gz URSULRMXDTUKJC-HOTGVXAUSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000843128594 640295456 /nfs/dbraw/zinc/29/54/56/640295456.db2.gz KMFPYQFTHYBASM-RNFRBKRXSA-N 2 1 298.740 2.308 20 0 CEADMP Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000843128347 640295615 /nfs/dbraw/zinc/29/56/15/640295615.db2.gz KENPHAUJHBGTOW-UHFFFAOYSA-N 2 1 278.787 2.130 20 0 CEADMP CCc1ccc2c(C[N@H+]3CC[C@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000843348635 640398706 /nfs/dbraw/zinc/39/87/06/640398706.db2.gz UQWVJTNQRFCSEK-CYBMUJFWSA-N 2 1 286.375 2.136 20 0 CEADMP CCc1ccc2c(C[N@H+](C)CCC[NH3+])cc(=O)oc2c1 ZINC000843351413 640399547 /nfs/dbraw/zinc/39/95/47/640399547.db2.gz SMKUYYNCZYSGRT-UHFFFAOYSA-N 2 1 274.364 2.136 20 0 CEADMP CCc1ccc2c(C[N@@H+](C)CCC[NH3+])cc(=O)oc2c1 ZINC000843351413 640399556 /nfs/dbraw/zinc/39/95/56/640399556.db2.gz SMKUYYNCZYSGRT-UHFFFAOYSA-N 2 1 274.364 2.136 20 0 CEADMP CCCCOC(=O)CC[N@@H+](CCC)C1CC[NH2+]CC1 ZINC000843360600 640404319 /nfs/dbraw/zinc/40/43/19/640404319.db2.gz ATQISRIKHUDOAN-UHFFFAOYSA-N 2 1 270.417 2.184 20 0 CEADMP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843385998 640412509 /nfs/dbraw/zinc/41/25/09/640412509.db2.gz AULZKJZCVIEDEK-RRFJBIMHSA-N 2 1 282.428 2.040 20 0 CEADMP CC(C)c1[nH+]ccn1CC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877139344 650591701 /nfs/dbraw/zinc/59/17/01/650591701.db2.gz LTOUPQWYPFEAJF-LSDHHAIUSA-N 2 1 298.390 2.460 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000844203021 640630940 /nfs/dbraw/zinc/63/09/40/640630940.db2.gz YRDYKMBTCUNANF-XHSDSOJGSA-N 2 1 297.487 2.330 20 0 CEADMP O[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc2ccccc2c1 ZINC000916741488 640816403 /nfs/dbraw/zinc/81/64/03/640816403.db2.gz FAOSUJRJWCPKBB-KSZLIROESA-N 2 1 282.387 2.024 20 0 CEADMP C[N@H+]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CCC1(C)C ZINC000877206718 650627600 /nfs/dbraw/zinc/62/76/00/650627600.db2.gz NNSSAXRCJJXNHB-HNNXBMFYSA-N 2 1 289.423 2.019 20 0 CEADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000920094849 641114050 /nfs/dbraw/zinc/11/40/50/641114050.db2.gz ILERIAISUJKOIW-RDJZCZTQSA-N 2 1 274.408 2.029 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)CC1 ZINC000846033966 641158553 /nfs/dbraw/zinc/15/85/53/641158553.db2.gz CBBSACGWXYXJLS-WMLDXEAASA-N 2 1 276.424 2.357 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846220716 641228352 /nfs/dbraw/zinc/22/83/52/641228352.db2.gz NNTBWHQKBNOEEC-CQSZACIVSA-N 2 1 264.417 2.119 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCCCC[NH3+])C1 ZINC000846220494 641229492 /nfs/dbraw/zinc/22/94/92/641229492.db2.gz QZZFOJNFQUYDKT-HNNXBMFYSA-N 3 1 255.450 2.169 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000846220494 641229497 /nfs/dbraw/zinc/22/94/97/641229497.db2.gz QZZFOJNFQUYDKT-HNNXBMFYSA-N 3 1 255.450 2.169 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846220494 641229501 /nfs/dbraw/zinc/22/95/01/641229501.db2.gz QZZFOJNFQUYDKT-HNNXBMFYSA-N 3 1 255.450 2.169 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000846857693 641456315 /nfs/dbraw/zinc/45/63/15/641456315.db2.gz PJDDXGCLVQUZHZ-UHFFFAOYSA-N 2 1 299.418 2.336 20 0 CEADMP CN1CC[NH+](Cc2ccc(C[NH2+]C3CCCC3)cc2)CC1 ZINC000069785347 641595877 /nfs/dbraw/zinc/59/58/77/641595877.db2.gz FIVCFIHJJOLLKI-UHFFFAOYSA-N 2 1 287.451 2.466 20 0 CEADMP C[C@H]1C[C@H](NC(=O)CC2(C[NH3+])CCCCC2)C[N@H+]1C1CC1 ZINC000184244292 641846668 /nfs/dbraw/zinc/84/66/68/641846668.db2.gz YQPQRZDOOSVPDQ-KBPBESRZSA-N 2 1 293.455 2.027 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Cl)nc1 ZINC000083451264 642071033 /nfs/dbraw/zinc/07/10/33/642071033.db2.gz ODLXUQMAFFYTMC-UHFFFAOYSA-N 2 1 264.760 2.420 20 0 CEADMP CC[NH2+][C@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995915766 642081927 /nfs/dbraw/zinc/08/19/27/642081927.db2.gz GQQDRBWUIYCIFL-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP Cn1c2ccc(F)cc2nc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000848718862 642111052 /nfs/dbraw/zinc/11/10/52/642111052.db2.gz RGERUQGMXFFNGU-RYUDHWBXSA-N 2 1 276.359 2.072 20 0 CEADMP CC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000848988050 642210052 /nfs/dbraw/zinc/21/00/52/642210052.db2.gz BAHVDSPJNJVWNR-MJBXVCDLSA-N 2 1 268.449 2.267 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C(F)(F)F ZINC000848988929 642210207 /nfs/dbraw/zinc/21/02/07/642210207.db2.gz NFFJJZBXVABMTH-JTQLQIEISA-N 2 1 294.365 2.173 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000848998780 642217633 /nfs/dbraw/zinc/21/76/33/642217633.db2.gz VASTYRMCPSWJTH-ZDUSSCGKSA-N 2 1 266.433 2.163 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnn(CCF)c1)C[NH+]1CCCCC1 ZINC000921562780 642247030 /nfs/dbraw/zinc/24/70/30/642247030.db2.gz IVCARVXTEJDLSQ-AWEZNQCLSA-N 2 1 282.407 2.064 20 0 CEADMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])NCCc2ccccc2)C1 ZINC000849040988 642251669 /nfs/dbraw/zinc/25/16/69/642251669.db2.gz GQBYDBWAGVNDFE-MRXNPFEDSA-N 2 1 288.439 2.075 20 0 CEADMP CC(C)CCC[C@H](C)NC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000849043017 642253299 /nfs/dbraw/zinc/25/32/99/642253299.db2.gz CVSRXOYRPOYPEX-ZDUSSCGKSA-N 2 1 268.449 2.409 20 0 CEADMP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H]2CCCOC2)c1 ZINC000849349624 642340272 /nfs/dbraw/zinc/34/02/72/642340272.db2.gz DEUUHCAHLJEPET-JQFCIGGWSA-N 2 1 292.398 2.287 20 0 CEADMP CCC[C@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925486748 642578353 /nfs/dbraw/zinc/57/83/53/642578353.db2.gz UVJIOQMZQVGERO-NIOBXDJOSA-N 2 1 266.429 2.406 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(C)C)C1 ZINC001001010388 642675863 /nfs/dbraw/zinc/67/58/63/642675863.db2.gz STUPBXFSUPWLTI-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003009778 642892605 /nfs/dbraw/zinc/89/26/05/642892605.db2.gz AVVUTEINUONCNZ-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP CS[C@@H]1CCC[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000922214908 642960640 /nfs/dbraw/zinc/96/06/40/642960640.db2.gz WAGJKHACVXREMY-UONOGXRCSA-N 2 1 286.485 2.097 20 0 CEADMP FCCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000922268357 642992354 /nfs/dbraw/zinc/99/23/54/642992354.db2.gz DWOVCGHZRJZXAV-HNNXBMFYSA-N 2 1 294.418 2.064 20 0 CEADMP FCCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000922268357 642992360 /nfs/dbraw/zinc/99/23/60/642992360.db2.gz DWOVCGHZRJZXAV-HNNXBMFYSA-N 2 1 294.418 2.064 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1)C2 ZINC000922386085 643057244 /nfs/dbraw/zinc/05/72/44/643057244.db2.gz FMHRSYGYXUEGPB-ZJPYXAASSA-N 2 1 288.435 2.256 20 0 CEADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccoc3)C2)[C@@H]1C(C)C ZINC000922394282 643059680 /nfs/dbraw/zinc/05/96/80/643059680.db2.gz PQFICUJCJFGAAX-NCOADZHNSA-N 2 1 292.423 2.239 20 0 CEADMP CSC(C)(C)CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000877608453 650812462 /nfs/dbraw/zinc/81/24/62/650812462.db2.gz VPXZZYSAQIBGEX-UHFFFAOYSA-N 2 1 286.485 2.315 20 0 CEADMP CO[C@@H]1CC[C@@H](N2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000851890979 643211579 /nfs/dbraw/zinc/21/15/79/643211579.db2.gz ZESBXRYOEONUEZ-ZIAGYGMSSA-N 2 1 252.402 2.114 20 0 CEADMP CO[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000851890979 643211581 /nfs/dbraw/zinc/21/15/81/643211581.db2.gz ZESBXRYOEONUEZ-ZIAGYGMSSA-N 2 1 252.402 2.114 20 0 CEADMP CO[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000851890979 643211582 /nfs/dbraw/zinc/21/15/82/643211582.db2.gz ZESBXRYOEONUEZ-ZIAGYGMSSA-N 2 1 252.402 2.114 20 0 CEADMP CCO[C@H](CNCc1cccc2cc[nH]c21)C[NH+](C)C ZINC000922756091 643246915 /nfs/dbraw/zinc/24/69/15/643246915.db2.gz FJJXVAOPNXIDOU-OAHLLOKOSA-N 2 1 275.396 2.224 20 0 CEADMP CC1(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCCC1 ZINC000877639580 650829133 /nfs/dbraw/zinc/82/91/33/650829133.db2.gz BVWMVBVKYRXGRV-OAHLLOKOSA-N 2 1 266.429 2.098 20 0 CEADMP CC(C)[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004874280 643360247 /nfs/dbraw/zinc/36/02/47/643360247.db2.gz CFFHIXOGJAOXPP-GOEBONIOSA-N 2 1 295.471 2.238 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@](C)(OC)C1CC1 ZINC000877664109 650839961 /nfs/dbraw/zinc/83/99/61/650839961.db2.gz HJOIRXUZWLYQGV-KRWDZBQOSA-N 2 1 298.471 2.092 20 0 CEADMP C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000852754531 643537299 /nfs/dbraw/zinc/53/72/99/643537299.db2.gz DTTUBZROMQZSTO-GJZGRUSLSA-N 2 1 256.434 2.379 20 0 CEADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1cscn1)CC2 ZINC000877684111 650849072 /nfs/dbraw/zinc/84/90/72/650849072.db2.gz GQHABFMQKYISIM-UHFFFAOYSA-N 2 1 265.426 2.451 20 0 CEADMP CC(C)C[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001005992094 643612948 /nfs/dbraw/zinc/61/29/48/643612948.db2.gz SKRRNUMQCPWBJL-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP C(C[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)C1SCCS1 ZINC000853023426 643624181 /nfs/dbraw/zinc/62/41/81/643624181.db2.gz WRFNUCPCHTZLJX-MNOVXSKESA-N 2 1 258.456 2.009 20 0 CEADMP C[N@H+](Cc1ccc(Cl)s1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299390 643643911 /nfs/dbraw/zinc/64/39/11/643643911.db2.gz UHBXCCVNSTUXHF-SNVBAGLBSA-N 2 1 286.828 2.212 20 0 CEADMP CCc1ccc(C[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923298061 643648300 /nfs/dbraw/zinc/64/83/00/643648300.db2.gz QUIJVBUEAONRNP-INIZCTEOSA-N 2 1 274.408 2.059 20 0 CEADMP CC[N@H+](Cc1ccc(Cl)s1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923297654 643648312 /nfs/dbraw/zinc/64/83/12/643648312.db2.gz IGXFFGLPNXXYCY-LSJOCFKGSA-N 2 1 274.817 2.074 20 0 CEADMP CC[N@@H+](Cc1ccc(Cl)s1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923297654 643648314 /nfs/dbraw/zinc/64/83/14/643648314.db2.gz IGXFFGLPNXXYCY-LSJOCFKGSA-N 2 1 274.817 2.074 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301362 643649118 /nfs/dbraw/zinc/64/91/18/643649118.db2.gz GAQLEBYZPAZNIZ-HIFRSBDPSA-N 2 1 260.381 2.058 20 0 CEADMP c1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923301732 643649167 /nfs/dbraw/zinc/64/91/67/643649167.db2.gz NQNJXTAZMZKAEN-JKSUJKDBSA-N 2 1 272.392 2.202 20 0 CEADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301685 643649396 /nfs/dbraw/zinc/64/93/96/643649396.db2.gz LGKZYOBSKRNQLK-WFASDCNBSA-N 2 1 278.371 2.197 20 0 CEADMP c1cc([C@@H]2CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)cs1 ZINC000923303351 643650762 /nfs/dbraw/zinc/65/07/62/643650762.db2.gz CJBNEXPPJBIFNV-KGLIPLIRSA-N 2 1 278.421 2.264 20 0 CEADMP C[C@]1(CCc2ccccc2)CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923318358 643656415 /nfs/dbraw/zinc/65/64/15/643656415.db2.gz ZORPTBOQDFWOJT-XSLAGTTESA-N 2 1 288.435 2.182 20 0 CEADMP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccccn1 ZINC000853103285 643657231 /nfs/dbraw/zinc/65/72/31/643657231.db2.gz WBKIXNSVEWBMSB-QGZVFWFLSA-N 2 1 289.423 2.112 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923310071 643658908 /nfs/dbraw/zinc/65/89/08/643658908.db2.gz CWKWPFRPUQTTHC-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](O)CC1CCCC1 ZINC000923330187 643661147 /nfs/dbraw/zinc/66/11/47/643661147.db2.gz ZKEURSKHQJCJLX-UYTSQGDYSA-N 2 1 266.429 2.272 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923331440 643661184 /nfs/dbraw/zinc/66/11/84/643661184.db2.gz LYTMVOHPUDSTTI-UHFFFAOYSA-N 2 1 263.385 2.121 20 0 CEADMP CCCCCC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923333463 643665722 /nfs/dbraw/zinc/66/57/22/643665722.db2.gz QXQSYMCDJKVSKC-CABCVRRESA-N 2 1 254.418 2.003 20 0 CEADMP CC[C@@H]1C[N@@H+](CCc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000923344211 643675188 /nfs/dbraw/zinc/67/51/88/643675188.db2.gz DVLUGVQSKNMHSG-UKRRQHHQSA-N 2 1 250.361 2.427 20 0 CEADMP CC[C@H]1C[N@@H+](CCc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000923344214 643675305 /nfs/dbraw/zinc/67/53/05/643675305.db2.gz DVLUGVQSKNMHSG-ZFWWWQNUSA-N 2 1 250.361 2.427 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000923354253 643678481 /nfs/dbraw/zinc/67/84/81/643678481.db2.gz RFVKOACRBGZUEA-GFCCVEGCSA-N 2 1 251.374 2.249 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000923382944 643688495 /nfs/dbraw/zinc/68/84/95/643688495.db2.gz NZCHJQORVLBEJX-AJNGGQMLSA-N 2 1 256.434 2.089 20 0 CEADMP C(C[N@H+]1CCS[C@H]2COCC[C@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923387666 643692467 /nfs/dbraw/zinc/69/24/67/643692467.db2.gz JLWFWOFVEQEBGN-BMRXWSCTSA-N 2 1 296.480 2.113 20 0 CEADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000923388284 643693782 /nfs/dbraw/zinc/69/37/82/643693782.db2.gz HNPAKZZEYQJDCL-ZBFHGGJFSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCc2ccccc21 ZINC000923388549 643693936 /nfs/dbraw/zinc/69/39/36/643693936.db2.gz SBBORYXPVIWBII-GDBMZVCRSA-N 2 1 286.419 2.027 20 0 CEADMP CCC1(CC)CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923389235 643693980 /nfs/dbraw/zinc/69/39/80/643693980.db2.gz NEMKESXYRKHZLA-AWEZNQCLSA-N 2 1 266.429 2.267 20 0 CEADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000923389411 643694720 /nfs/dbraw/zinc/69/47/20/643694720.db2.gz AANWFPHQNHOEMO-JKSUJKDBSA-N 2 1 278.440 2.267 20 0 CEADMP C(C[N@H+]1CC[C@]2(C1)CCCOC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923394767 643695613 /nfs/dbraw/zinc/69/56/13/643695613.db2.gz MEFQGUZVEGSKDF-HMQMGEFJSA-N 2 1 278.440 2.410 20 0 CEADMP c1ccc([C@@H]2C[C@H]3C[N@H+](C[C@@H]4CC5(C[NH2+]C5)CO4)C[C@H]32)cc1 ZINC000923401104 643697101 /nfs/dbraw/zinc/69/71/01/643697101.db2.gz RKIMJPLEOPWBFJ-XLAORIBOSA-N 2 1 298.430 2.100 20 0 CEADMP CCCCCC[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000923410492 643699651 /nfs/dbraw/zinc/69/96/51/643699651.db2.gz YYCNZOJFFNYRKF-OAGGEKHMSA-N 2 1 268.445 2.249 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000923410470 643701069 /nfs/dbraw/zinc/70/10/69/643701069.db2.gz IEAMQCNQVXQLJE-HZPDHXFCSA-N 2 1 262.397 2.232 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000923410470 643701071 /nfs/dbraw/zinc/70/10/71/643701071.db2.gz IEAMQCNQVXQLJE-HZPDHXFCSA-N 2 1 262.397 2.232 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@H]1c1ccccc1 ZINC000923424363 643704366 /nfs/dbraw/zinc/70/43/66/643704366.db2.gz FXDQQBSBSXFBNP-DJIMGWMZSA-N 2 1 286.419 2.448 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923426393 643705899 /nfs/dbraw/zinc/70/58/99/643705899.db2.gz CPRHMWJDJQFCOB-JKSUJKDBSA-N 2 1 268.445 2.249 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc3c2OC(F)(F)O3)C1 ZINC000923480893 643731636 /nfs/dbraw/zinc/73/16/36/643731636.db2.gz MJLAIMPTEYRUHE-SNVBAGLBSA-N 2 1 284.306 2.179 20 0 CEADMP CCn1c2cccc(F)c2nc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923482420 643731657 /nfs/dbraw/zinc/73/16/57/643731657.db2.gz FKOMJYPCKLLIKN-LBPRGKRZSA-N 2 1 290.386 2.366 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000923481881 643732018 /nfs/dbraw/zinc/73/20/18/643732018.db2.gz AEMSAAHWMYHSNT-AWEZNQCLSA-N 2 1 250.361 2.429 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)c(F)c1 ZINC000923485358 643733226 /nfs/dbraw/zinc/73/32/26/643733226.db2.gz IRSBXKIYPLSTNU-STQMWFEESA-N 2 1 293.386 2.132 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000923490702 643736197 /nfs/dbraw/zinc/73/61/97/643736197.db2.gz VRMRRMVZPCFAIU-HNNXBMFYSA-N 2 1 262.397 2.299 20 0 CEADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923491314 643736267 /nfs/dbraw/zinc/73/62/67/643736267.db2.gz HUAVMWCBWZZFCE-NWDGAFQWSA-N 2 1 295.814 2.338 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923502133 643737971 /nfs/dbraw/zinc/73/79/71/643737971.db2.gz YXJHOBCEZUAIKB-HOTGVXAUSA-N 2 1 297.487 2.332 20 0 CEADMP C[C@H]1C[N@@H+](CCOc2cccc(F)c2)CC[C@@H]1C[NH3+] ZINC000923502158 643738785 /nfs/dbraw/zinc/73/87/85/643738785.db2.gz XSIHJYCRWABHRO-QWHCGFSZSA-N 2 1 266.360 2.121 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccncc2Cl)CC[C@@H]1C[NH3+] ZINC000923502731 643739297 /nfs/dbraw/zinc/73/92/97/643739297.db2.gz YVSGEKDEQZJULE-GHMZBOCLSA-N 2 1 253.777 2.152 20 0 CEADMP COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499046 643740670 /nfs/dbraw/zinc/74/06/70/643740670.db2.gz QLFDNQKPYGTLPJ-FMKPAKJESA-N 2 1 290.407 2.126 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923500187 643740939 /nfs/dbraw/zinc/74/09/39/643740939.db2.gz OYBQIELXGWLJLN-CABCVRRESA-N 2 1 292.423 2.381 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c(F)cccc2F)CC[C@H]1C[NH3+] ZINC000923501169 643741998 /nfs/dbraw/zinc/74/19/98/643741998.db2.gz XXSORPOLWCUSEZ-QWRGUYRKSA-N 2 1 254.324 2.382 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnc(Cl)s2)CC[C@@H]1C[NH3+] ZINC000923501026 643742095 /nfs/dbraw/zinc/74/20/95/643742095.db2.gz YSPJDUSTNWIERQ-DTWKUNHWSA-N 2 1 259.806 2.213 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc(Cl)s2)CC[C@@H]1C[NH3+] ZINC000923501026 643742098 /nfs/dbraw/zinc/74/20/98/643742098.db2.gz YSPJDUSTNWIERQ-DTWKUNHWSA-N 2 1 259.806 2.213 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(F)cc2F)CC[C@H]1C[NH3+] ZINC000923500941 643742216 /nfs/dbraw/zinc/74/22/16/643742216.db2.gz SGNOFTFWVLIJMN-QWRGUYRKSA-N 2 1 254.324 2.382 20 0 CEADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923504686 643743332 /nfs/dbraw/zinc/74/33/32/643743332.db2.gz SUOSQNHDMMDIMJ-KKUMJFAQSA-N 2 1 289.423 2.239 20 0 CEADMP Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923505508 643743376 /nfs/dbraw/zinc/74/33/76/643743376.db2.gz AIBUGKIZIYGILG-HUUCEWRRSA-N 2 1 289.423 2.159 20 0 CEADMP CCc1ccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923505492 643743551 /nfs/dbraw/zinc/74/35/51/643743551.db2.gz ACOJLZRLIYZXQL-DZGCQCFKSA-N 2 1 289.423 2.104 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923505060 643743635 /nfs/dbraw/zinc/74/36/35/643743635.db2.gz XFKYRPSHXPCKKU-CABCVRRESA-N 2 1 262.397 2.291 20 0 CEADMP O[C@@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(F)cc1Cl ZINC000923515758 643747604 /nfs/dbraw/zinc/74/76/04/643747604.db2.gz LGRMLGRHRYAVAN-RWSFTLGLSA-N 2 1 298.789 2.054 20 0 CEADMP O[C@@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(F)cc1Cl ZINC000923515758 643747605 /nfs/dbraw/zinc/74/76/05/643747605.db2.gz LGRMLGRHRYAVAN-RWSFTLGLSA-N 2 1 298.789 2.054 20 0 CEADMP CCCC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006291512 643805141 /nfs/dbraw/zinc/80/51/41/643805141.db2.gz AAFBDPRRYZEIPK-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1ccncc1CCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877740185 650882765 /nfs/dbraw/zinc/88/27/65/650882765.db2.gz IXSFULMSWDTHAK-DLBZAZTESA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccncc1CCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877740185 650882767 /nfs/dbraw/zinc/88/27/67/650882767.db2.gz IXSFULMSWDTHAK-DLBZAZTESA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccncc1CCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877740185 650882769 /nfs/dbraw/zinc/88/27/69/650882769.db2.gz IXSFULMSWDTHAK-DLBZAZTESA-N 2 1 273.424 2.349 20 0 CEADMP CCn1ncc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000838903444 644063005 /nfs/dbraw/zinc/06/30/05/644063005.db2.gz VIYASIJHRZOAOK-AWEZNQCLSA-N 2 1 279.432 2.042 20 0 CEADMP COCc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877744741 650891555 /nfs/dbraw/zinc/89/15/55/650891555.db2.gz XKRMRAKYGSSAHY-IRXDYDNUSA-N 2 1 274.408 2.359 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877744741 650891559 /nfs/dbraw/zinc/89/15/59/650891559.db2.gz XKRMRAKYGSSAHY-IRXDYDNUSA-N 2 1 274.408 2.359 20 0 CEADMP COCc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000877744741 650891566 /nfs/dbraw/zinc/89/15/66/650891566.db2.gz XKRMRAKYGSSAHY-IRXDYDNUSA-N 2 1 274.408 2.359 20 0 CEADMP COCc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877744741 650891570 /nfs/dbraw/zinc/89/15/70/650891570.db2.gz XKRMRAKYGSSAHY-IRXDYDNUSA-N 2 1 274.408 2.359 20 0 CEADMP CO[C@@H](C)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767858 650903302 /nfs/dbraw/zinc/90/33/02/650903302.db2.gz XKPNHKRLHVTBDV-AWEZNQCLSA-N 2 1 256.434 2.321 20 0 CEADMP C[NH+](C)C1CC[NH+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000877958711 650958151 /nfs/dbraw/zinc/95/81/51/650958151.db2.gz DQCJAXMTXBMHQX-AWEZNQCLSA-N 2 1 254.418 2.360 20 0 CEADMP CN(CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000858123261 645069108 /nfs/dbraw/zinc/06/91/08/645069108.db2.gz RPOTVTHKBMYUMW-CYBMUJFWSA-N 2 1 299.459 2.316 20 0 CEADMP Cc1ccccc1[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000759976426 645099159 /nfs/dbraw/zinc/09/91/59/645099159.db2.gz LPFAPPWDNMJTGM-WBVHZDCISA-N 2 1 276.424 2.445 20 0 CEADMP Cc1cc(CNc2cc[nH+]c(CO)c2)cc(N2CCCC2)[nH+]1 ZINC000858550940 645198815 /nfs/dbraw/zinc/19/88/15/645198815.db2.gz XDKCMDSCDSSGNJ-UHFFFAOYSA-N 2 1 298.390 2.490 20 0 CEADMP C[N@H+](CCCO)C1CC[NH+](C[C@H]2CCCC(C)(C)O2)CC1 ZINC000878108743 651001398 /nfs/dbraw/zinc/00/13/98/651001398.db2.gz IYNUSRLQHRXZKI-MRXNPFEDSA-N 2 1 298.471 2.113 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](C[C@H]2CCCC(C)(C)O2)CC1 ZINC000878108743 651001401 /nfs/dbraw/zinc/00/14/01/651001401.db2.gz IYNUSRLQHRXZKI-MRXNPFEDSA-N 2 1 298.471 2.113 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000762382673 645405292 /nfs/dbraw/zinc/40/52/92/645405292.db2.gz VCNYSUJCGQVAFJ-UHFFFAOYSA-N 2 1 296.415 2.038 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000762382673 645405295 /nfs/dbraw/zinc/40/52/95/645405295.db2.gz VCNYSUJCGQVAFJ-UHFFFAOYSA-N 2 1 296.415 2.038 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCn2ccccc2=O)cc1 ZINC000859212539 645421848 /nfs/dbraw/zinc/42/18/48/645421848.db2.gz PIFFKBDMFGAIER-UHFFFAOYSA-N 2 1 299.418 2.042 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000878155510 651016629 /nfs/dbraw/zinc/01/66/29/651016629.db2.gz CFLJCOWDKXAFKK-OAGGEKHMSA-N 2 1 266.429 2.075 20 0 CEADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000878155510 651016633 /nfs/dbraw/zinc/01/66/33/651016633.db2.gz CFLJCOWDKXAFKK-OAGGEKHMSA-N 2 1 266.429 2.075 20 0 CEADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000878155510 651016635 /nfs/dbraw/zinc/01/66/35/651016635.db2.gz CFLJCOWDKXAFKK-OAGGEKHMSA-N 2 1 266.429 2.075 20 0 CEADMP CC[C@H](O)C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997717 645670539 /nfs/dbraw/zinc/67/05/39/645670539.db2.gz PZJTZFFANTUISV-INIZCTEOSA-N 2 1 264.413 2.341 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC[C@H]21 ZINC000878197501 651033870 /nfs/dbraw/zinc/03/38/70/651033870.db2.gz NHLKWFYOGDUBOT-DMRKSPOLSA-N 2 1 278.440 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC[C@H]21 ZINC000878197501 651033874 /nfs/dbraw/zinc/03/38/74/651033874.db2.gz NHLKWFYOGDUBOT-DMRKSPOLSA-N 2 1 278.440 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC[C@H]21 ZINC000878197501 651033877 /nfs/dbraw/zinc/03/38/77/651033877.db2.gz NHLKWFYOGDUBOT-DMRKSPOLSA-N 2 1 278.440 2.360 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2OC)[C@H](C)C1 ZINC000765428823 645768218 /nfs/dbraw/zinc/76/82/18/645768218.db2.gz WOFUHAOJMKUBKA-TWMKSMIVSA-N 2 1 298.471 2.281 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H](O)C(C)C)[C@@H](C)C1 ZINC000878257232 651046625 /nfs/dbraw/zinc/04/66/25/651046625.db2.gz FWJSVIMHCCSJLM-KKUMJFAQSA-N 2 1 256.434 2.056 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H](O)C(C)C)[C@@H](C)C1 ZINC000878257232 651046630 /nfs/dbraw/zinc/04/66/30/651046630.db2.gz FWJSVIMHCCSJLM-KKUMJFAQSA-N 2 1 256.434 2.056 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H](O)C(C)C)[C@@H](C)C1 ZINC000878257232 651046634 /nfs/dbraw/zinc/04/66/34/651046634.db2.gz FWJSVIMHCCSJLM-KKUMJFAQSA-N 2 1 256.434 2.056 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878258555 651047533 /nfs/dbraw/zinc/04/75/33/651047533.db2.gz SFRYRLUOHIXJQY-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878258556 651047644 /nfs/dbraw/zinc/04/76/44/651047644.db2.gz SFRYRLUOHIXJQY-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC000765937642 645823130 /nfs/dbraw/zinc/82/31/30/645823130.db2.gz UIWYJUVOSNQCFC-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCCCCO)CC[C@@H]21 ZINC000766120656 645849742 /nfs/dbraw/zinc/84/97/42/645849742.db2.gz AGEANWBADSTVBN-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCCCCO)CC[C@@H]21 ZINC000766120656 645849749 /nfs/dbraw/zinc/84/97/49/645849749.db2.gz AGEANWBADSTVBN-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCCCCCCO)CC[C@@H]21 ZINC000766120659 645850165 /nfs/dbraw/zinc/85/01/65/645850165.db2.gz AGEANWBADSTVBN-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCCCCO)CC[C@@H]21 ZINC000766120659 645850171 /nfs/dbraw/zinc/85/01/71/645850171.db2.gz AGEANWBADSTVBN-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP CC[N@@H+](CCc1ccccn1)CCn1cc[nH+]c1C ZINC000766247716 645862490 /nfs/dbraw/zinc/86/24/90/645862490.db2.gz HXNMXMLGVZCJMH-UHFFFAOYSA-N 2 1 258.369 2.151 20 0 CEADMP CC[N@H+](CCc1ccccn1)CCn1cc[nH+]c1C ZINC000766247716 645862492 /nfs/dbraw/zinc/86/24/92/645862492.db2.gz HXNMXMLGVZCJMH-UHFFFAOYSA-N 2 1 258.369 2.151 20 0 CEADMP C=C/C=C\CC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000878311135 651062657 /nfs/dbraw/zinc/06/26/57/651062657.db2.gz BCNNIIUIHZABRO-SREVYHEPSA-N 2 1 265.445 2.077 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]C2CC(C(F)F)C2)CC1 ZINC000768675797 646152524 /nfs/dbraw/zinc/15/25/24/646152524.db2.gz LGBJTAKEZXERLL-UHFFFAOYSA-N 2 1 289.414 2.037 20 0 CEADMP CC1([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)OCCO1 ZINC000119069412 646554824 /nfs/dbraw/zinc/55/48/24/646554824.db2.gz HWKXJKZKHWFDIP-INIZCTEOSA-N 2 1 296.455 2.337 20 0 CEADMP CC(=O)N(C)c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000863543416 646752051 /nfs/dbraw/zinc/75/20/51/646752051.db2.gz OHSJAPSHXPZCJR-DLBZAZTESA-N 2 1 289.423 2.419 20 0 CEADMP Cn1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000863544074 646753050 /nfs/dbraw/zinc/75/30/50/646753050.db2.gz KHISAROMLYYSIA-QWHCGFSZSA-N 2 1 296.846 2.285 20 0 CEADMP Cn1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000863544074 646753056 /nfs/dbraw/zinc/75/30/56/646753056.db2.gz KHISAROMLYYSIA-QWHCGFSZSA-N 2 1 296.846 2.285 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000775378326 646947075 /nfs/dbraw/zinc/94/70/75/646947075.db2.gz KKDOJXAWAVHEJK-YIYPIFLZSA-N 2 1 286.510 2.297 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)C[C@H](O)c2ccco2)CC1 ZINC000775402176 646950512 /nfs/dbraw/zinc/95/05/12/646950512.db2.gz ZNCKOOSXZWFZIZ-OCCSQVGLSA-N 2 1 266.385 2.166 20 0 CEADMP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000864453385 647009198 /nfs/dbraw/zinc/00/91/98/647009198.db2.gz ZHWHHNDPNZUWRC-JHJVBQTASA-N 2 1 292.452 2.407 20 0 CEADMP C[C@@H](CNC(=[NH2+])NCCC1CC1)[N@H+]1CCC[C@H](C)C1 ZINC000864452811 647009225 /nfs/dbraw/zinc/00/92/25/647009225.db2.gz JVZIZNBEXZPEMS-STQMWFEESA-N 2 1 266.433 2.021 20 0 CEADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NC(CC)CC)C1 ZINC000864457419 647012551 /nfs/dbraw/zinc/01/25/51/647012551.db2.gz SMVAIYVMCFDNML-GFCCVEGCSA-N 2 1 254.422 2.021 20 0 CEADMP Cc1ccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c(N(C)C)[nH+]1 ZINC000777277102 647124914 /nfs/dbraw/zinc/12/49/14/647124914.db2.gz YVOJEWWSHAIUFL-OLZOCXBDSA-N 2 1 262.401 2.351 20 0 CEADMP Cc1ccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(N(C)C)[nH+]1 ZINC000777277102 647124917 /nfs/dbraw/zinc/12/49/17/647124917.db2.gz YVOJEWWSHAIUFL-OLZOCXBDSA-N 2 1 262.401 2.351 20 0 CEADMP C[C@H]([NH2+]Cc1nc(-c2ccccc2)n[nH]1)C1CC[NH+](C)CC1 ZINC000777578496 647152398 /nfs/dbraw/zinc/15/23/98/647152398.db2.gz KHCYWSLMTVCKTQ-ZDUSSCGKSA-N 2 1 299.422 2.292 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000865439389 647293476 /nfs/dbraw/zinc/29/34/76/647293476.db2.gz RDBCXSAGMWUIDA-SNVBAGLBSA-N 2 1 285.313 2.419 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865448370 647298031 /nfs/dbraw/zinc/29/80/31/647298031.db2.gz GGILHUBXAAXRLB-GFCCVEGCSA-N 2 1 273.384 2.149 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000865465641 647307014 /nfs/dbraw/zinc/30/70/14/647307014.db2.gz FMLIMTQRPPAYDJ-VIFPVBQESA-N 2 1 271.286 2.171 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000865465641 647307020 /nfs/dbraw/zinc/30/70/20/647307020.db2.gz FMLIMTQRPPAYDJ-VIFPVBQESA-N 2 1 271.286 2.171 20 0 CEADMP COCCc1ncc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000865483670 647318950 /nfs/dbraw/zinc/31/89/50/647318950.db2.gz OJZXNKBQARTATR-CHWSQXEVSA-N 2 1 297.468 2.294 20 0 CEADMP C[C@@H]1CCC[N@H+]1CCNc1cc[nH+]cc1C(F)(F)F ZINC000865565035 647362200 /nfs/dbraw/zinc/36/22/00/647362200.db2.gz SCIVBMYRDCTAIB-SNVBAGLBSA-N 2 1 273.302 2.419 20 0 CEADMP Cn1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2cccnc21 ZINC000865812822 647475034 /nfs/dbraw/zinc/47/50/34/647475034.db2.gz VQHGNWPXVRZOLK-CVEARBPZSA-N 2 1 298.434 2.332 20 0 CEADMP C[C@H]1CC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000783250264 647701149 /nfs/dbraw/zinc/70/11/49/647701149.db2.gz GJAFVAJEJJJQLZ-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1cccc(C[C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000866261481 647701676 /nfs/dbraw/zinc/70/16/76/647701676.db2.gz UBNJEEGMSOCVCB-SZMVWBNQSA-N 2 1 288.435 2.379 20 0 CEADMP Cc1cccc(C[C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000866261481 647701680 /nfs/dbraw/zinc/70/16/80/647701680.db2.gz UBNJEEGMSOCVCB-SZMVWBNQSA-N 2 1 288.435 2.379 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)CC1(C)OCCO1 ZINC000866427137 647784248 /nfs/dbraw/zinc/78/42/48/647784248.db2.gz IVGCOTAUUGXBRH-ZJIFWQFVSA-N 2 1 296.455 2.238 20 0 CEADMP COC(C)(C)CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000866505739 647809344 /nfs/dbraw/zinc/80/93/44/647809344.db2.gz TYWIHXGWSPLPLF-HNNXBMFYSA-N 2 1 284.444 2.035 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866704857 647877161 /nfs/dbraw/zinc/87/71/61/647877161.db2.gz YRHWFDBTCDJPFJ-CABCVRRESA-N 2 1 268.470 2.451 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709011 647878413 /nfs/dbraw/zinc/87/84/13/647878413.db2.gz UMIBBNNSDWPMQX-INIZCTEOSA-N 2 1 284.444 2.417 20 0 CEADMP Cn1cncc1CCC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709668 647879461 /nfs/dbraw/zinc/87/94/61/647879461.db2.gz YGFJOVGUMAMJPH-INIZCTEOSA-N 2 1 278.444 2.050 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)nc2C)C1 ZINC000785441550 647928738 /nfs/dbraw/zinc/92/87/38/647928738.db2.gz KPTYULJTCGKIBE-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)nc2C)C1 ZINC000785441550 647928741 /nfs/dbraw/zinc/92/87/41/647928741.db2.gz KPTYULJTCGKIBE-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)C1CCOCC1 ZINC000786160535 647989948 /nfs/dbraw/zinc/98/99/48/647989948.db2.gz KTONKBFQQXPGHX-UHFFFAOYSA-N 2 1 265.401 2.376 20 0 CEADMP COCC[N@H+](Cc1ccco1)CC1CC[NH+](C)CC1 ZINC000788476103 648192307 /nfs/dbraw/zinc/19/23/07/648192307.db2.gz YTHPMDXIFLGZNJ-UHFFFAOYSA-N 2 1 266.385 2.070 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000791478673 648530305 /nfs/dbraw/zinc/53/03/05/648530305.db2.gz YRYCUTSOZZJLJK-BHYGNILZSA-N 2 1 276.424 2.382 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000791478673 648530307 /nfs/dbraw/zinc/53/03/07/648530307.db2.gz YRYCUTSOZZJLJK-BHYGNILZSA-N 2 1 276.424 2.382 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000791478673 648530310 /nfs/dbraw/zinc/53/03/10/648530310.db2.gz YRYCUTSOZZJLJK-BHYGNILZSA-N 2 1 276.424 2.382 20 0 CEADMP Nc1cc(COC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)ccn1 ZINC000792234284 648628465 /nfs/dbraw/zinc/62/84/65/648628465.db2.gz BBPGLKIODCVGIW-AWEZNQCLSA-N 2 1 289.379 2.114 20 0 CEADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CCCOC1 ZINC000872065878 649260170 /nfs/dbraw/zinc/26/01/70/649260170.db2.gz HZAPZFSBUVIJRI-ZACQAIPSSA-N 2 1 298.471 2.282 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872106121 649278937 /nfs/dbraw/zinc/27/89/37/649278937.db2.gz DYPZKIFOSCTQKF-WQVCFCJDSA-N 2 1 264.413 2.160 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000872141596 649290869 /nfs/dbraw/zinc/29/08/69/649290869.db2.gz LESRAXGBMATCAK-ZDUSSCGKSA-N 2 1 255.365 2.406 20 0 CEADMP C([C@@H]1CC2(CCC2)CO1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000872143582 649292928 /nfs/dbraw/zinc/29/29/28/649292928.db2.gz SZCJIDSCNURJMI-PMPSAXMXSA-N 2 1 278.440 2.267 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1C ZINC000872144015 649293594 /nfs/dbraw/zinc/29/35/94/649293594.db2.gz UZZKCNLTUVFCIT-CQSZACIVSA-N 2 1 290.407 2.342 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1C[C@H]3CCC[C@@H]3O1)CC[NH2+]CC2 ZINC000872145250 649295648 /nfs/dbraw/zinc/29/56/48/649295648.db2.gz QKGXUDYNAVAZCC-WCVJEAGWSA-N 2 1 278.440 2.408 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)C1CCCCC1 ZINC000872145031 649295827 /nfs/dbraw/zinc/29/58/27/649295827.db2.gz MSAFKGDFTARFBC-HOTGVXAUSA-N 2 1 296.455 2.069 20 0 CEADMP CSc1ccc(OCC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872153237 649297857 /nfs/dbraw/zinc/29/78/57/649297857.db2.gz CYENRAFZLQXTDT-XJKSGUPXSA-N 2 1 292.448 2.329 20 0 CEADMP CSc1ccc(OCC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872153237 649297860 /nfs/dbraw/zinc/29/78/60/649297860.db2.gz CYENRAFZLQXTDT-XJKSGUPXSA-N 2 1 292.448 2.329 20 0 CEADMP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)CCCCCC[NH3+] ZINC000872154862 649298449 /nfs/dbraw/zinc/29/84/49/649298449.db2.gz CNZIPAWQZRMIER-OAGGEKHMSA-N 2 1 297.487 2.330 20 0 CEADMP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCCCCC[NH3+])[C@H]1C ZINC000872155636 649299453 /nfs/dbraw/zinc/29/94/53/649299453.db2.gz XGLCYHDDGWWGTC-OWCLPIDISA-N 2 1 297.487 2.378 20 0 CEADMP CCOC(=O)C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156477 649299583 /nfs/dbraw/zinc/29/95/83/649299583.db2.gz KBYWUWOULYORKY-UKRRQHHQSA-N 2 1 282.428 2.169 20 0 CEADMP CCOC(=O)C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156477 649299585 /nfs/dbraw/zinc/29/95/85/649299585.db2.gz KBYWUWOULYORKY-UKRRQHHQSA-N 2 1 282.428 2.169 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000019440161 649358683 /nfs/dbraw/zinc/35/86/83/649358683.db2.gz XUXPRJZHKGWZDD-LLVKDONJSA-N 2 1 258.287 2.486 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000019440161 649358687 /nfs/dbraw/zinc/35/86/87/649358687.db2.gz XUXPRJZHKGWZDD-LLVKDONJSA-N 2 1 258.287 2.486 20 0 CEADMP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]cc1C1CC1 ZINC000872544080 649416363 /nfs/dbraw/zinc/41/63/63/649416363.db2.gz CENREDMRIAXLKC-DZGCQCFKSA-N 2 1 287.407 2.258 20 0 CEADMP C[C@@H](Nc1cc(NCc2ccccc2)[nH+]cn1)[C@H](C)[NH3+] ZINC000872777396 649484354 /nfs/dbraw/zinc/48/43/54/649484354.db2.gz ZCDBYCNMVPXVGG-NWDGAFQWSA-N 2 1 271.368 2.236 20 0 CEADMP C[C@@H](Nc1cc[nH+]c(N2CCCCC2)n1)C1CC[NH2+]CC1 ZINC000872783725 649490175 /nfs/dbraw/zinc/49/01/75/649490175.db2.gz KNUSQMCMTKNVNG-CYBMUJFWSA-N 2 1 289.427 2.267 20 0 CEADMP CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@@H]1CCOC1 ZINC000873202784 649587432 /nfs/dbraw/zinc/58/74/32/649587432.db2.gz DAKKPICRXIXTCS-LBPRGKRZSA-N 2 1 280.437 2.252 20 0 CEADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873205083 649587943 /nfs/dbraw/zinc/58/79/43/649587943.db2.gz KWDAAVXOQHFPEJ-YPMHNXCESA-N 2 1 280.437 2.129 20 0 CEADMP C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873205081 649588239 /nfs/dbraw/zinc/58/82/39/649588239.db2.gz KWDAAVXOQHFPEJ-DGCLKSJQSA-N 2 1 280.437 2.129 20 0 CEADMP NC[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)C1CCCC1 ZINC000873211518 649591682 /nfs/dbraw/zinc/59/16/82/649591682.db2.gz AXLWZQNORVHUNA-CQSZACIVSA-N 2 1 279.453 2.001 20 0 CEADMP c1c(C[N@@H+]2CCO[C@@H](C3CCC3)C2)sc2c1C[NH2+]CC2 ZINC000873213791 649592606 /nfs/dbraw/zinc/59/26/06/649592606.db2.gz PQQPTQVRYKHJDB-OAHLLOKOSA-N 2 1 292.448 2.395 20 0 CEADMP c1c(C[N@H+]2CCO[C@@H](C3CCC3)C2)sc2c1C[NH2+]CC2 ZINC000873213791 649592610 /nfs/dbraw/zinc/59/26/10/649592610.db2.gz PQQPTQVRYKHJDB-OAHLLOKOSA-N 2 1 292.448 2.395 20 0 CEADMP CC(C)c1ncc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000873216471 649593396 /nfs/dbraw/zinc/59/33/96/649593396.db2.gz OTNRPZWDQWPLGQ-GHMZBOCLSA-N 2 1 253.415 2.293 20 0 CEADMP CC(C)c1ncc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000873216471 649593398 /nfs/dbraw/zinc/59/33/98/649593398.db2.gz OTNRPZWDQWPLGQ-GHMZBOCLSA-N 2 1 253.415 2.293 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000873223160 649596618 /nfs/dbraw/zinc/59/66/18/649596618.db2.gz IJTSCNLBKATPKA-HIFRSBDPSA-N 2 1 254.418 2.110 20 0 CEADMP CCn1cc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000873223057 649597125 /nfs/dbraw/zinc/59/71/25/649597125.db2.gz HIUATAAAUQJSTE-HNNXBMFYSA-N 2 1 264.417 2.100 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)C[C@@H]1C(F)(F)F ZINC000873227772 649599824 /nfs/dbraw/zinc/59/98/24/649599824.db2.gz NHGDPGYLHIXAFI-RYUDHWBXSA-N 2 1 298.312 2.132 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)C[C@@H]1C(F)(F)F ZINC000873227772 649599825 /nfs/dbraw/zinc/59/98/25/649599825.db2.gz NHGDPGYLHIXAFI-RYUDHWBXSA-N 2 1 298.312 2.132 20 0 CEADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230274 649602050 /nfs/dbraw/zinc/60/20/50/649602050.db2.gz OMZMDEQGAYITSM-XOKHGSTOSA-N 2 1 272.392 2.427 20 0 CEADMP Cc1[nH]ncc1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232635 649603218 /nfs/dbraw/zinc/60/32/18/649603218.db2.gz JUVJEUXAKXMOEX-CQSZACIVSA-N 2 1 262.401 2.120 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)[C@H]1CCOC1 ZINC000873237149 649604616 /nfs/dbraw/zinc/60/46/16/649604616.db2.gz MTEAHZFGKYKQDY-IHRRRGAJSA-N 2 1 254.418 2.169 20 0 CEADMP COC1CCC([NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000873237860 649604892 /nfs/dbraw/zinc/60/48/92/649604892.db2.gz URILGPFELOKXKN-MOKVOYLWSA-N 2 1 254.418 2.312 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000873296484 649631872 /nfs/dbraw/zinc/63/18/72/649631872.db2.gz GRHBAGVLJUBYHC-PMPSAXMXSA-N 2 1 296.842 2.364 20 0 CEADMP CC1(C)C[C@H](C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C(C)(C)O1 ZINC000878517393 651119145 /nfs/dbraw/zinc/11/91/45/651119145.db2.gz LDNIWZIKYLYXMD-CYBMUJFWSA-N 2 1 292.427 2.125 20 0 CEADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCOC(F)(F)F)C2)C1 ZINC000878653113 651153381 /nfs/dbraw/zinc/15/33/81/651153381.db2.gz YSQAKENINFIMSH-GFCCVEGCSA-N 2 1 280.334 2.331 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCOC(F)(F)F)C2)C1 ZINC000878653113 651153383 /nfs/dbraw/zinc/15/33/83/651153383.db2.gz YSQAKENINFIMSH-GFCCVEGCSA-N 2 1 280.334 2.331 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCOC(F)(F)F)C2)C1 ZINC000878653113 651153385 /nfs/dbraw/zinc/15/33/85/651153385.db2.gz YSQAKENINFIMSH-GFCCVEGCSA-N 2 1 280.334 2.331 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCOC(F)(F)F)C2)C1 ZINC000878653113 651153387 /nfs/dbraw/zinc/15/33/87/651153387.db2.gz YSQAKENINFIMSH-GFCCVEGCSA-N 2 1 280.334 2.331 20 0 CEADMP Cc1ccccc1[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878864412 651200420 /nfs/dbraw/zinc/20/04/20/651200420.db2.gz AOHQKMXHSVVLCM-KRWDZBQOSA-N 2 1 288.435 2.446 20 0 CEADMP COCC[N@H+](Cc1cc(C)ccn1)CC1CC[NH+](C)CC1 ZINC000879125794 651247213 /nfs/dbraw/zinc/24/72/13/651247213.db2.gz IWEXGMAZGWUQCU-UHFFFAOYSA-N 2 1 291.439 2.180 20 0 CEADMP COCC[N@@H+](CCC(C)(C)OC)CC1CC[NH+](C)CC1 ZINC000879127042 651247451 /nfs/dbraw/zinc/24/74/51/651247451.db2.gz QBKLXEFDCZANFE-UHFFFAOYSA-N 2 1 286.460 2.092 20 0 CEADMP CO[C@@H]1CC[C@H](C)[NH+](CCC[N@H+]2C[C@@H](OC)CC[C@H]2C)C1 ZINC000879321183 651285027 /nfs/dbraw/zinc/28/50/27/651285027.db2.gz KTPLZJKIHWUUAF-ZYGGUILKSA-N 2 1 298.471 2.375 20 0 CEADMP CO[C@@H]1CC[C@H](C)[N@H+](CCC[NH+]2C[C@@H](OC)CC[C@H]2C)C1 ZINC000879321183 651285029 /nfs/dbraw/zinc/28/50/29/651285029.db2.gz KTPLZJKIHWUUAF-ZYGGUILKSA-N 2 1 298.471 2.375 20 0 CEADMP CO[C@@H]1CC[C@H](C)[N@@H+](CCC[NH+]2C[C@@H](OC)CC[C@H]2C)C1 ZINC000879321183 651285030 /nfs/dbraw/zinc/28/50/30/651285030.db2.gz KTPLZJKIHWUUAF-ZYGGUILKSA-N 2 1 298.471 2.375 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000879408905 651298722 /nfs/dbraw/zinc/29/87/22/651298722.db2.gz XMSUZYGUXPAKMR-AWEZNQCLSA-N 2 1 265.401 2.290 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOc3ccccc3)CC[C@@H]21 ZINC000879572953 651324482 /nfs/dbraw/zinc/32/44/82/651324482.db2.gz SKQXBQOGGVPKLF-ZBFHGGJFSA-N 2 1 260.381 2.091 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCOc3ccccc3)CC[C@@H]21 ZINC000879572953 651324484 /nfs/dbraw/zinc/32/44/84/651324484.db2.gz SKQXBQOGGVPKLF-ZBFHGGJFSA-N 2 1 260.381 2.091 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCOc3ccccc3)CC[C@@H]21 ZINC000879572953 651324487 /nfs/dbraw/zinc/32/44/87/651324487.db2.gz SKQXBQOGGVPKLF-ZBFHGGJFSA-N 2 1 260.381 2.091 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3ccccc3)CC[C@@H]21 ZINC000879572953 651324489 /nfs/dbraw/zinc/32/44/89/651324489.db2.gz SKQXBQOGGVPKLF-ZBFHGGJFSA-N 2 1 260.381 2.091 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(CCC(=O)C(C)(C)C)CC[C@@H]21 ZINC000879580765 651326574 /nfs/dbraw/zinc/32/65/74/651326574.db2.gz KICVKZCNHDVSFN-OLZOCXBDSA-N 2 1 252.402 2.018 20 0 CEADMP CN1CC[C@@H]2C[N@H+](CCC(=O)C(C)(C)C)CC[C@@H]21 ZINC000879580765 651326576 /nfs/dbraw/zinc/32/65/76/651326576.db2.gz KICVKZCNHDVSFN-OLZOCXBDSA-N 2 1 252.402 2.018 20 0 CEADMP CN1CC[C@@H]2C[N@@H+](CCC(=O)C(C)(C)C)CC[C@@H]21 ZINC000879580765 651326578 /nfs/dbraw/zinc/32/65/78/651326578.db2.gz KICVKZCNHDVSFN-OLZOCXBDSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCc3ccncc3)CC[C@H]21 ZINC000879580398 651326641 /nfs/dbraw/zinc/32/66/41/651326641.db2.gz HBXBYPOWJHDMMA-HZPDHXFCSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCc3ccncc3)CC[C@H]21 ZINC000879580398 651326642 /nfs/dbraw/zinc/32/66/42/651326642.db2.gz HBXBYPOWJHDMMA-HZPDHXFCSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCc3ccncc3)CC[C@H]21 ZINC000879580398 651326646 /nfs/dbraw/zinc/32/66/46/651326646.db2.gz HBXBYPOWJHDMMA-HZPDHXFCSA-N 2 1 259.397 2.040 20 0 CEADMP CCc1nc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)no1 ZINC000879701783 651341307 /nfs/dbraw/zinc/34/13/07/651341307.db2.gz AJDRWULCJZUJDH-UHFFFAOYSA-N 2 1 294.443 2.432 20 0 CEADMP CCc1nc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)no1 ZINC000879701783 651341308 /nfs/dbraw/zinc/34/13/08/651341308.db2.gz AJDRWULCJZUJDH-UHFFFAOYSA-N 2 1 294.443 2.432 20 0 CEADMP CC(C)OC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879947605 651363683 /nfs/dbraw/zinc/36/36/83/651363683.db2.gz JUEGJGMAUGJLFB-INIZCTEOSA-N 2 1 298.471 2.113 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880049393 651378868 /nfs/dbraw/zinc/37/88/68/651378868.db2.gz OTOBMYOKNFAZBC-LBPRGKRZSA-N 2 1 291.317 2.235 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880049393 651378869 /nfs/dbraw/zinc/37/88/69/651378869.db2.gz OTOBMYOKNFAZBC-LBPRGKRZSA-N 2 1 291.317 2.235 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880222781 651402949 /nfs/dbraw/zinc/40/29/49/651402949.db2.gz HPYFVQZZHYDFHJ-YESZJQIVSA-N 2 1 274.408 2.111 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880222781 651402950 /nfs/dbraw/zinc/40/29/50/651402950.db2.gz HPYFVQZZHYDFHJ-YESZJQIVSA-N 2 1 274.408 2.111 20 0 CEADMP C[C@H]1C[N@H+](Cc2cncs2)CCN1c1cc[nH+]cc1 ZINC000880259110 651411894 /nfs/dbraw/zinc/41/18/94/651411894.db2.gz MUWFNFUVVSGNDI-LBPRGKRZSA-N 2 1 274.393 2.249 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cncs2)CCN1c1cc[nH+]cc1 ZINC000880259110 651411896 /nfs/dbraw/zinc/41/18/96/651411896.db2.gz MUWFNFUVVSGNDI-LBPRGKRZSA-N 2 1 274.393 2.249 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cccnc2)CCN1c1cc[nH+]cc1 ZINC000880261645 651412505 /nfs/dbraw/zinc/41/25/05/651412505.db2.gz KUSBZIKLDNFYKO-CQSZACIVSA-N 2 1 268.364 2.187 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccnc2)CCN1c1cc[nH+]cc1 ZINC000880261645 651412506 /nfs/dbraw/zinc/41/25/06/651412506.db2.gz KUSBZIKLDNFYKO-CQSZACIVSA-N 2 1 268.364 2.187 20 0 CEADMP COc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)ccn1 ZINC000880261578 651412683 /nfs/dbraw/zinc/41/26/83/651412683.db2.gz WZTOQEGTJFVFNS-CQSZACIVSA-N 2 1 298.390 2.196 20 0 CEADMP COc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)ccn1 ZINC000880261578 651412685 /nfs/dbraw/zinc/41/26/85/651412685.db2.gz WZTOQEGTJFVFNS-CQSZACIVSA-N 2 1 298.390 2.196 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1COC(C)(C)O1 ZINC000880517913 651454098 /nfs/dbraw/zinc/45/40/98/651454098.db2.gz ZAAFXSMMDJYHJE-HNNXBMFYSA-N 2 1 284.444 2.336 20 0 CEADMP CCN1C[C@@H](C[N@@H+](C)CCCC[NH+]2CCCCC2)OC1=O ZINC000880517043 651454158 /nfs/dbraw/zinc/45/41/58/651454158.db2.gz IPLMDUWYLKBSOC-OAHLLOKOSA-N 2 1 297.443 2.025 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1COC(C)(C)O1 ZINC000880517915 651454316 /nfs/dbraw/zinc/45/43/16/651454316.db2.gz ZAAFXSMMDJYHJE-OAHLLOKOSA-N 2 1 284.444 2.336 20 0 CEADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2c(c1)COCC2 ZINC000882888340 652250669 /nfs/dbraw/zinc/25/06/69/652250669.db2.gz WVTVBZXWXLNDGJ-AWEZNQCLSA-N 2 1 286.419 2.333 20 0 CEADMP CC1([NH+]2CCC2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000882964527 652294458 /nfs/dbraw/zinc/29/44/58/652294458.db2.gz GYMDVOJJYGJJQG-UHFFFAOYSA-N 2 1 271.368 2.023 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2C=CCC2)s1 ZINC000883237589 652410670 /nfs/dbraw/zinc/41/06/70/652410670.db2.gz FXADCHXTGFOZDF-LLVKDONJSA-N 2 1 251.399 2.261 20 0 CEADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1(CC2CC2)CC1 ZINC000883254252 652415755 /nfs/dbraw/zinc/41/57/55/652415755.db2.gz OBGBWRDUIPXDQB-MRXNPFEDSA-N 2 1 278.440 2.410 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC3(COC3)CC2)[C@H](C)C1 ZINC000883378474 652449440 /nfs/dbraw/zinc/44/94/40/652449440.db2.gz NAAQOYYTYMVRDU-UKRRQHHQSA-N 2 1 266.429 2.266 20 0 CEADMP c1ccc([C@H]2CCC[C@H](C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)O2)cc1 ZINC000883427437 652465825 /nfs/dbraw/zinc/46/58/25/652465825.db2.gz RHTLWDWNMATKNF-XMTFNYHQSA-N 2 1 286.419 2.448 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883429967 652467021 /nfs/dbraw/zinc/46/70/21/652467021.db2.gz KKEGFDHIANZVQL-AAVRWANBSA-N 2 1 252.402 2.064 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000883433989 652469150 /nfs/dbraw/zinc/46/91/50/652469150.db2.gz DFVWQKWYTVTCQR-RRFJBIMHSA-N 2 1 293.411 2.010 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)o1 ZINC000883439208 652470983 /nfs/dbraw/zinc/47/09/83/652470983.db2.gz LPULGRBTLRVANY-HNNXBMFYSA-N 2 1 265.401 2.488 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CCC2(CCOCC2)O1 ZINC000883441863 652471285 /nfs/dbraw/zinc/47/12/85/652471285.db2.gz ZDXYRCCQVISBTN-HNNXBMFYSA-N 2 1 284.444 2.166 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H]2CC3(CCC3)CO2)[C@@H]1C ZINC000883445620 652472691 /nfs/dbraw/zinc/47/26/91/652472691.db2.gz GWWMQLCFOZEIHL-TUVASFSCSA-N 2 1 266.429 2.393 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CC3(CCC3)CO2)[C@@H]1C ZINC000883445620 652472696 /nfs/dbraw/zinc/47/26/96/652472696.db2.gz GWWMQLCFOZEIHL-TUVASFSCSA-N 2 1 266.429 2.393 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1c2ccccc2NC1(C)C ZINC000883464050 652478461 /nfs/dbraw/zinc/47/84/61/652478461.db2.gz DIWUBMOIGGIIDV-OAHLLOKOSA-N 2 1 270.380 2.498 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCOCC(F)(F)F)c2ccccc21 ZINC000132116230 652496192 /nfs/dbraw/zinc/49/61/92/652496192.db2.gz BPWIUTOJOBVLPJ-VXGBXAGGSA-N 2 1 274.286 2.300 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(Cc2cn(CC)nn2)CC1 ZINC000883998248 652626054 /nfs/dbraw/zinc/62/60/54/652626054.db2.gz ARFNPJFFARKIQH-UHFFFAOYSA-N 2 1 293.459 2.242 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC000883998248 652626056 /nfs/dbraw/zinc/62/60/56/652626056.db2.gz ARFNPJFFARKIQH-UHFFFAOYSA-N 2 1 293.459 2.242 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC000883998248 652626059 /nfs/dbraw/zinc/62/60/59/652626059.db2.gz ARFNPJFFARKIQH-UHFFFAOYSA-N 2 1 293.459 2.242 20 0 CEADMP C[NH2+][C@@H](CC(C)C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000884191157 652746637 /nfs/dbraw/zinc/74/66/37/652746637.db2.gz XJZVBZRTFWRHNL-HOTGVXAUSA-N 2 1 297.487 2.249 20 0 CEADMP Cc1cccc(C)c1CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000215382936 652867715 /nfs/dbraw/zinc/86/77/15/652867715.db2.gz VEMCKDAOLYQSNX-HZPDHXFCSA-N 2 1 274.408 2.256 20 0 CEADMP Cc1cccc(C)c1CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000215382936 652867724 /nfs/dbraw/zinc/86/77/24/652867724.db2.gz VEMCKDAOLYQSNX-HZPDHXFCSA-N 2 1 274.408 2.256 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1[nH+]ccc2c1ccn2C ZINC001164642384 719174258 /nfs/dbraw/zinc/17/42/58/719174258.db2.gz YCFULWNHTXDFSY-NWDGAFQWSA-N 2 1 258.369 2.102 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1[nH+]ccc2c1ccn2C ZINC001164642386 719174600 /nfs/dbraw/zinc/17/46/00/719174600.db2.gz YCFULWNHTXDFSY-VXGBXAGGSA-N 2 1 258.369 2.102 20 0 CEADMP CC[N@@H+](CC(C)(C)O)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994954 805596928 /nfs/dbraw/zinc/59/69/28/805596928.db2.gz RLQFBIYGSKBPQM-XYPWUTKMSA-N 2 1 280.456 2.485 20 0 CEADMP CC[NH+](CC(C)(C)O)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994954 805596936 /nfs/dbraw/zinc/59/69/36/805596936.db2.gz RLQFBIYGSKBPQM-XYPWUTKMSA-N 2 1 280.456 2.485 20 0 CEADMP CC[NH+](CC(C)(C)O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994954 805596944 /nfs/dbraw/zinc/59/69/44/805596944.db2.gz RLQFBIYGSKBPQM-XYPWUTKMSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CF)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032056 805835384 /nfs/dbraw/zinc/83/53/84/805835384.db2.gz DLVOXFHSYKLDID-YALNPMBYSA-N 2 1 294.414 2.348 20 0 CEADMP C[NH+](C)C1CC[NH+](C2CC(OC(C)(C)C)C2)CC1 ZINC000341632603 805985720 /nfs/dbraw/zinc/98/57/20/805985720.db2.gz YJWBBPLFFCKJBY-UHFFFAOYSA-N 2 1 254.418 2.359 20 0 CEADMP CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001088369233 806154058 /nfs/dbraw/zinc/15/40/58/806154058.db2.gz DJANDJCWHBQVGD-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001088413299 806194363 /nfs/dbraw/zinc/19/43/63/806194363.db2.gz CHWIGSQATZHOEM-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCCC[C@H]1c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)nc1 ZINC001168226568 806422235 /nfs/dbraw/zinc/42/22/35/806422235.db2.gz DWJLWDISFGVWEP-ILXRZTDVSA-N 2 1 292.402 2.350 20 0 CEADMP CCOC(=O)C1([NH2+]C2CCC([NH+](C)C)CC2)CCCC1 ZINC001168290596 806633626 /nfs/dbraw/zinc/63/36/26/806633626.db2.gz PZUIPJSHYAPICE-UHFFFAOYSA-N 2 1 282.428 2.325 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@]3(C2)CCCOC3)CC1 ZINC001168326983 806657012 /nfs/dbraw/zinc/65/70/12/806657012.db2.gz HNYQSFIUVDWREK-GPANFISMSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC[NH+](CC3CC3)CC1)C2 ZINC001168360972 806717684 /nfs/dbraw/zinc/71/76/84/806717684.db2.gz YAFAMIICCBSINE-BCDXTJNWSA-N 2 1 291.483 2.466 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001142590461 806744086 /nfs/dbraw/zinc/74/40/86/806744086.db2.gz ZYWXVWIXJDAEBT-UHFFFAOYSA-N 2 1 283.460 2.094 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N(C1CCCC1)C1CC[NH+](C)CC1 ZINC001142588111 806741902 /nfs/dbraw/zinc/74/19/02/806741902.db2.gz JYVJSWSFZBVIMO-UHFFFAOYSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000387586848 806844248 /nfs/dbraw/zinc/84/42/48/806844248.db2.gz ORRUILCAYSYPMK-OAGGEKHMSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000387586848 806844257 /nfs/dbraw/zinc/84/42/57/806844257.db2.gz ORRUILCAYSYPMK-OAGGEKHMSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1noc([C@@H]2CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)n1 ZINC001208109483 802341800 /nfs/dbraw/zinc/34/18/00/802341800.db2.gz NJHNIWCTCOUZCB-ZDUSSCGKSA-N 2 1 278.400 2.247 20 0 CEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1C[C@@H](C)O[C@H](C)C1 ZINC000724468137 802349637 /nfs/dbraw/zinc/34/96/37/802349637.db2.gz GFGVVCQLUVWVFA-ZPGBFPTHSA-N 2 1 266.429 2.405 20 0 CEADMP CCCCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001266288164 802382687 /nfs/dbraw/zinc/38/26/87/802382687.db2.gz BBPSPZSAAZONLN-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001266288164 802382692 /nfs/dbraw/zinc/38/26/92/802382692.db2.gz BBPSPZSAAZONLN-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001266288164 802382702 /nfs/dbraw/zinc/38/27/02/802382702.db2.gz BBPSPZSAAZONLN-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC001209421032 802518722 /nfs/dbraw/zinc/51/87/22/802518722.db2.gz HNHUFFKLBXFEMC-OFQRWUPVSA-N 2 1 266.429 2.218 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000693011120 802528618 /nfs/dbraw/zinc/52/86/18/802528618.db2.gz WAWSHAQILBGFFY-HIFRSBDPSA-N 2 1 259.397 2.390 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000693011120 802528622 /nfs/dbraw/zinc/52/86/22/802528622.db2.gz WAWSHAQILBGFFY-HIFRSBDPSA-N 2 1 259.397 2.390 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000693118108 802655803 /nfs/dbraw/zinc/65/58/03/802655803.db2.gz ROXCWKYQRCDVGB-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000693118108 802655809 /nfs/dbraw/zinc/65/58/09/802655809.db2.gz ROXCWKYQRCDVGB-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP C[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)CCCCCC[NH3+] ZINC000710843472 809996388 /nfs/dbraw/zinc/99/63/88/809996388.db2.gz USURKICRJMUUHF-AWEZNQCLSA-N 2 1 277.412 2.465 20 0 CEADMP C[C@@H](C[NH2+]Cc1cccc2c1OCC2)C[NH+]1CCCC1 ZINC000693184272 802715824 /nfs/dbraw/zinc/71/58/24/802715824.db2.gz UCPHWKYCTRZUTO-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000721445221 802777048 /nfs/dbraw/zinc/77/70/48/802777048.db2.gz LXWMOCGSCLRECC-TUAOUCFPSA-N 2 1 280.334 2.157 20 0 CEADMP C[C@H]1C[C@@H](n2cncc2CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398088255 802790632 /nfs/dbraw/zinc/79/06/32/802790632.db2.gz INPKTUDXJGLXSW-WMLDXEAASA-N 2 1 284.407 2.220 20 0 CEADMP C[C@@H](COCc1ccccc1)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723462796 802871896 /nfs/dbraw/zinc/87/18/96/802871896.db2.gz PUKNIVWIBPTNLI-IIAWOOMASA-N 2 1 262.397 2.118 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000723690644 802924718 /nfs/dbraw/zinc/92/47/18/802924718.db2.gz VFKNXGNMGPBAGV-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000723698632 802926040 /nfs/dbraw/zinc/92/60/40/802926040.db2.gz INLTZSQTXXXTCM-SNVBAGLBSA-N 2 1 299.777 2.088 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000723698632 802926045 /nfs/dbraw/zinc/92/60/45/802926045.db2.gz INLTZSQTXXXTCM-SNVBAGLBSA-N 2 1 299.777 2.088 20 0 CEADMP CCCC[C@H](CCC)[NH2+]C1CC[NH+](CCO)CC1 ZINC000398957433 802926684 /nfs/dbraw/zinc/92/66/84/802926684.db2.gz JFFKMDYUKDENTK-AWEZNQCLSA-N 2 1 256.434 2.392 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000724000442 802993105 /nfs/dbraw/zinc/99/31/05/802993105.db2.gz RRHZHRVUQRPHID-GDBMZVCRSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC(C)C)C1 ZINC001132435893 812852100 /nfs/dbraw/zinc/85/21/00/812852100.db2.gz HMVHNUJCMCVUCA-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(C)C)C1 ZINC001132435893 812852105 /nfs/dbraw/zinc/85/21/05/812852105.db2.gz HMVHNUJCMCVUCA-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(C)C)C1 ZINC001132435893 812852111 /nfs/dbraw/zinc/85/21/11/812852111.db2.gz HMVHNUJCMCVUCA-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001207279125 803118392 /nfs/dbraw/zinc/11/83/92/803118392.db2.gz BYLYGWCANNPSMM-DLBZAZTESA-N 2 1 290.451 2.252 20 0 CEADMP CC(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001038238026 803124209 /nfs/dbraw/zinc/12/42/09/803124209.db2.gz DTQMCUCARBMQCZ-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001038238026 803124212 /nfs/dbraw/zinc/12/42/12/803124212.db2.gz DTQMCUCARBMQCZ-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167581011 803156039 /nfs/dbraw/zinc/15/60/39/803156039.db2.gz OSMNPSVEPHMHHF-UHFFFAOYSA-N 2 1 294.443 2.149 20 0 CEADMP COc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC000708836775 803551882 /nfs/dbraw/zinc/55/18/82/803551882.db2.gz PLOTZARWGBDMMU-CMPLNLGQSA-N 2 1 268.788 2.375 20 0 CEADMP COc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC000708836775 803551884 /nfs/dbraw/zinc/55/18/84/803551884.db2.gz PLOTZARWGBDMMU-CMPLNLGQSA-N 2 1 268.788 2.375 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267614811 803619525 /nfs/dbraw/zinc/61/95/25/803619525.db2.gz AWFNSPVMWQWQBV-OAHLLOKOSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC(C)C ZINC001038329336 803622442 /nfs/dbraw/zinc/62/24/42/803622442.db2.gz PSGJHPRTYXACHU-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP C([C@@H]1CC[C@@H](C2CC2)O1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000715397307 814952753 /nfs/dbraw/zinc/95/27/53/814952753.db2.gz XCMJHDMXPISDLH-GJZGRUSLSA-N 2 1 264.413 2.162 20 0 CEADMP C([C@@H]1CC[C@@H](C2CC2)O1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000715397307 814952759 /nfs/dbraw/zinc/95/27/59/814952759.db2.gz XCMJHDMXPISDLH-GJZGRUSLSA-N 2 1 264.413 2.162 20 0 CEADMP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000395014921 803654450 /nfs/dbraw/zinc/65/44/50/803654450.db2.gz KTCXWGYDYIWYGS-MGPQQGTHSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000395014921 803654453 /nfs/dbraw/zinc/65/44/53/803654453.db2.gz KTCXWGYDYIWYGS-MGPQQGTHSA-N 2 1 254.418 2.264 20 0 CEADMP CCCCc1ncc(CN2C[C@H]3[C@H](C2)CCC[N@@H+]3C)[nH]1 ZINC001141074087 803702080 /nfs/dbraw/zinc/70/20/80/803702080.db2.gz WWLQABDCJPVUBB-ZFWWWQNUSA-N 2 1 276.428 2.278 20 0 CEADMP CCCCc1ncc(CN2C[C@H]3[C@H](C2)CCC[N@H+]3C)[nH]1 ZINC001141074087 803702083 /nfs/dbraw/zinc/70/20/83/803702083.db2.gz WWLQABDCJPVUBB-ZFWWWQNUSA-N 2 1 276.428 2.278 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H](O)c2ccccc2)[C@@H]1C ZINC000692628850 803737342 /nfs/dbraw/zinc/73/73/42/803737342.db2.gz URXZLRGOASYZHX-RRCSTGOVSA-N 2 1 262.397 2.168 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H](O)c2ccccc2)[C@@H]1C ZINC000692628850 803737346 /nfs/dbraw/zinc/73/73/46/803737346.db2.gz URXZLRGOASYZHX-RRCSTGOVSA-N 2 1 262.397 2.168 20 0 CEADMP C([C@@H]1CC[C@@H](C2CC2)O1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000715383053 814962098 /nfs/dbraw/zinc/96/20/98/814962098.db2.gz GFTIOHFGABCAGR-GJZGRUSLSA-N 2 1 264.413 2.020 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715531225 814973091 /nfs/dbraw/zinc/97/30/91/814973091.db2.gz IUERONCQZHHGMI-KFWWJZLASA-N 2 1 254.418 2.249 20 0 CEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc2ccccc2nc1OC ZINC001118018710 814976604 /nfs/dbraw/zinc/97/66/04/814976604.db2.gz IYMPATOXBWBOLI-LBPRGKRZSA-N 2 1 273.380 2.331 20 0 CEADMP CCCCCC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100831453 803928066 /nfs/dbraw/zinc/92/80/66/803928066.db2.gz WNFCOEXYDVKFPC-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC)C1 ZINC001027163800 803965988 /nfs/dbraw/zinc/96/59/88/803965988.db2.gz KYHAGWPSRVSSJP-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(OC)cc1F ZINC001118121998 814986028 /nfs/dbraw/zinc/98/60/28/814986028.db2.gz MORNWIILNTVGJV-WDEREUQCSA-N 2 1 254.349 2.483 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027407236 804064114 /nfs/dbraw/zinc/06/41/14/804064114.db2.gz BLYZJFWDDQNUMX-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027407236 804064121 /nfs/dbraw/zinc/06/41/21/804064121.db2.gz BLYZJFWDDQNUMX-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001027407236 804064130 /nfs/dbraw/zinc/06/41/30/804064130.db2.gz BLYZJFWDDQNUMX-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)[C@H]1CCC[NH2+]1 ZINC000423104482 804111901 /nfs/dbraw/zinc/11/19/01/804111901.db2.gz BODQHSFDGQQYBB-AEGPPILISA-N 2 1 260.381 2.110 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1SCCS1 ZINC000692850089 804190021 /nfs/dbraw/zinc/19/00/21/804190021.db2.gz VCZMGCBPBXWPCH-GHMZBOCLSA-N 2 1 258.456 2.009 20 0 CEADMP CCCCOC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000692861435 804244080 /nfs/dbraw/zinc/24/40/80/804244080.db2.gz LOFSOVZOXKZHCW-OAHLLOKOSA-N 2 1 282.428 2.041 20 0 CEADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CCC[NH2+]CC3)C2)cc1 ZINC001204655092 804257181 /nfs/dbraw/zinc/25/71/81/804257181.db2.gz OKXOPBZKIVJHLH-GOSISDBHSA-N 2 1 287.451 2.194 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCC(C)(C)C ZINC001027795149 804261940 /nfs/dbraw/zinc/26/19/40/804261940.db2.gz PJYRUABEUOCKGC-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001027795149 804261946 /nfs/dbraw/zinc/26/19/46/804261946.db2.gz PJYRUABEUOCKGC-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC(C)(C)C ZINC001027795149 804261953 /nfs/dbraw/zinc/26/19/53/804261953.db2.gz PJYRUABEUOCKGC-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027795376 804263531 /nfs/dbraw/zinc/26/35/31/804263531.db2.gz UFAHYZFDOODTEA-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)[C@H]1CCCC[NH2+]1 ZINC000722321195 804283459 /nfs/dbraw/zinc/28/34/59/804283459.db2.gz OYIXBZGSNGQCAO-SPWCGHHHSA-N 2 1 252.402 2.064 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)N1CC[N@H+]2CCC[C@H]2C1 ZINC001167823848 804378401 /nfs/dbraw/zinc/37/84/01/804378401.db2.gz ADELCJLMFKDINT-HOTGVXAUSA-N 2 1 267.461 2.277 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](O)C[C@@H]1C ZINC001167839299 804434288 /nfs/dbraw/zinc/43/42/88/804434288.db2.gz XIWSNHXONUXLAL-KKUMJFAQSA-N 2 1 256.434 2.342 20 0 CEADMP CCCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001268425348 804665217 /nfs/dbraw/zinc/66/52/17/804665217.db2.gz DLSNQQTZUFJQJF-LSDHHAIUSA-N 2 1 283.460 2.145 20 0 CEADMP COc1cccc2c(NC(=[NH2+])SCC[NH3+])ccnc12 ZINC001167912200 804695568 /nfs/dbraw/zinc/69/55/68/804695568.db2.gz LQJOZTMWUZYJQA-UHFFFAOYSA-N 2 1 276.365 2.282 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000710386171 804997563 /nfs/dbraw/zinc/99/75/63/804997563.db2.gz OMYBYXUSGAMBJC-KBPBESRZSA-N 2 1 297.443 2.070 20 0 CEADMP CC[N@@H+](CCn1cccn1)C1CC[NH+](CC2CC2)CC1 ZINC001168387399 807042253 /nfs/dbraw/zinc/04/22/53/807042253.db2.gz GYSBQZTWYASCEV-UHFFFAOYSA-N 2 1 276.428 2.079 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845568 805303061 /nfs/dbraw/zinc/30/30/61/805303061.db2.gz MTBBMFBNVKFOMR-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845568 805303068 /nfs/dbraw/zinc/30/30/68/805303068.db2.gz MTBBMFBNVKFOMR-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845568 805303076 /nfs/dbraw/zinc/30/30/76/805303076.db2.gz MTBBMFBNVKFOMR-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167964516 805450548 /nfs/dbraw/zinc/45/05/48/805450548.db2.gz RORAYSJYTBYWRM-OOKSDGMUSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167964516 805450549 /nfs/dbraw/zinc/45/05/49/805450549.db2.gz RORAYSJYTBYWRM-OOKSDGMUSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167964516 805450551 /nfs/dbraw/zinc/45/05/51/805450551.db2.gz RORAYSJYTBYWRM-OOKSDGMUSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167964516 805450552 /nfs/dbraw/zinc/45/05/52/805450552.db2.gz RORAYSJYTBYWRM-OOKSDGMUSA-N 3 1 291.483 2.466 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167964516 805450553 /nfs/dbraw/zinc/45/05/53/805450553.db2.gz RORAYSJYTBYWRM-OOKSDGMUSA-N 3 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167964516 805450555 /nfs/dbraw/zinc/45/05/55/805450555.db2.gz RORAYSJYTBYWRM-OOKSDGMUSA-N 3 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167964516 805450558 /nfs/dbraw/zinc/45/05/58/805450558.db2.gz RORAYSJYTBYWRM-OOKSDGMUSA-N 3 1 291.483 2.466 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cnn(C)c1 ZINC001167967583 805489641 /nfs/dbraw/zinc/48/96/41/805489641.db2.gz HQNLILQUPOKUNY-FCLXEUQJSA-N 2 1 288.439 2.476 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cnn(C)c1 ZINC001167967583 805489644 /nfs/dbraw/zinc/48/96/44/805489644.db2.gz HQNLILQUPOKUNY-FCLXEUQJSA-N 2 1 288.439 2.476 20 0 CEADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCC[C@@H]1O ZINC001167982868 805517661 /nfs/dbraw/zinc/51/76/61/805517661.db2.gz CXXCRBOSEBAPDA-XYAUDYEYSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC[C@@H]1O ZINC001167982868 805517668 /nfs/dbraw/zinc/51/76/68/805517668.db2.gz CXXCRBOSEBAPDA-XYAUDYEYSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC[C@@H]1O ZINC001167982868 805517669 /nfs/dbraw/zinc/51/76/69/805517669.db2.gz CXXCRBOSEBAPDA-XYAUDYEYSA-N 2 1 292.467 2.485 20 0 CEADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccnc2)no1 ZINC001212145158 807019339 /nfs/dbraw/zinc/01/93/39/807019339.db2.gz MJGXWINTQMWUFN-ZDUSSCGKSA-N 2 1 289.383 2.300 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168399502 807085528 /nfs/dbraw/zinc/08/55/28/807085528.db2.gz BQXBLPGQOHQHNC-WBMJQRKESA-N 2 1 262.372 2.224 20 0 CEADMP C([NH2+]C1CCC2(CC2)CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000696002208 807115304 /nfs/dbraw/zinc/11/53/04/807115304.db2.gz VORWIQGZAJZGRE-HUUCEWRRSA-N 2 1 264.413 2.162 20 0 CEADMP C([NH2+]C1CCC2(CC2)CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000696002208 807115306 /nfs/dbraw/zinc/11/53/06/807115306.db2.gz VORWIQGZAJZGRE-HUUCEWRRSA-N 2 1 264.413 2.162 20 0 CEADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110156884 815103453 /nfs/dbraw/zinc/10/34/53/815103453.db2.gz DSNPRJMXJIIDNU-PMPSAXMXSA-N 2 1 293.455 2.014 20 0 CEADMP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110156884 815103461 /nfs/dbraw/zinc/10/34/61/815103461.db2.gz DSNPRJMXJIIDNU-PMPSAXMXSA-N 2 1 293.455 2.014 20 0 CEADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110156884 815103465 /nfs/dbraw/zinc/10/34/65/815103465.db2.gz DSNPRJMXJIIDNU-PMPSAXMXSA-N 2 1 293.455 2.014 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716295949 815111504 /nfs/dbraw/zinc/11/15/04/815111504.db2.gz SWNQFPHIOQMVDQ-KGLIPLIRSA-N 2 1 252.402 2.006 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716309078 815112490 /nfs/dbraw/zinc/11/24/90/815112490.db2.gz LDBNGRJYYOMZCJ-GJZGRUSLSA-N 2 1 266.429 2.397 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716303902 815112632 /nfs/dbraw/zinc/11/26/32/815112632.db2.gz XHPBRHCXMRYKNL-MJBXVCDLSA-N 2 1 252.402 2.005 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000716335916 815115796 /nfs/dbraw/zinc/11/57/96/815115796.db2.gz GMENYEICQZASSE-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP COC[C@H](C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)C(C)C ZINC000721970585 807540550 /nfs/dbraw/zinc/54/05/50/807540550.db2.gz BJHSHWNKRDGYJH-AJNGGQMLSA-N 2 1 256.434 2.210 20 0 CEADMP CC(C)Oc1ncccc1CC[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205093623 807570711 /nfs/dbraw/zinc/57/07/11/807570711.db2.gz CRGWCAONYGQTCM-OAHLLOKOSA-N 2 1 277.412 2.225 20 0 CEADMP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001031050683 807620984 /nfs/dbraw/zinc/62/09/84/807620984.db2.gz UBUJKYLFPXPEPD-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001031050683 807620988 /nfs/dbraw/zinc/62/09/88/807620988.db2.gz UBUJKYLFPXPEPD-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000699195760 807635074 /nfs/dbraw/zinc/63/50/74/807635074.db2.gz RLOLVGKGLMUWKT-NPYXIHBLSA-N 2 1 277.456 2.077 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000699195760 807635076 /nfs/dbraw/zinc/63/50/76/807635076.db2.gz RLOLVGKGLMUWKT-NPYXIHBLSA-N 2 1 277.456 2.077 20 0 CEADMP CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCOC1 ZINC000699260849 807664099 /nfs/dbraw/zinc/66/40/99/807664099.db2.gz PPHURWGIAAPFQV-JALIKCBVSA-N 2 1 252.402 2.018 20 0 CEADMP c1cc(C[N@H+]2CCC3(C[NH2+]C3)C2)c2c(c1)CCCC2 ZINC001235025441 807760763 /nfs/dbraw/zinc/76/07/63/807760763.db2.gz APSRLEOUVMYDCM-UHFFFAOYSA-N 2 1 256.393 2.361 20 0 CEADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171540384 815187001 /nfs/dbraw/zinc/18/70/01/815187001.db2.gz YJOSMJPUQWDDCA-GDBMZVCRSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171545241 815188317 /nfs/dbraw/zinc/18/83/17/815188317.db2.gz BVLOAOGUJRHNNR-HUUCEWRRSA-N 2 1 283.460 2.144 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H](CO)C2)CC1(C)C ZINC001171628551 815200343 /nfs/dbraw/zinc/20/03/43/815200343.db2.gz APWDIVKSMRQWMN-ZDUSSCGKSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[C@H]1O ZINC001171631898 815201824 /nfs/dbraw/zinc/20/18/24/815201824.db2.gz PFHRJMDNFIHTDC-GXTWGEPZSA-N 2 1 268.445 2.341 20 0 CEADMP C[NH+]1C(C)(C)CC([NH2+]C[C@@H](O)C(F)(F)F)CC1(C)C ZINC001171622970 815206389 /nfs/dbraw/zinc/20/63/89/815206389.db2.gz FNHHEAUVHZGYQJ-SNVBAGLBSA-N 2 1 282.350 2.151 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(C)(C)C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171733514 815216116 /nfs/dbraw/zinc/21/61/16/815216116.db2.gz UMVHHEAVQJWYLR-ZBFHGGJFSA-N 2 1 275.440 2.319 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@@H+](CCCCc2ccccc2)CC1 ZINC001205211800 808569325 /nfs/dbraw/zinc/56/93/25/808569325.db2.gz VYYMFHSVILPKLC-KRWDZBQOSA-N 2 1 276.424 2.185 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC001205211818 808571787 /nfs/dbraw/zinc/57/17/87/808571787.db2.gz WGXKRZGHUZQWAJ-AWEZNQCLSA-N 2 1 286.778 2.155 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccccc2C(F)F)CC1 ZINC001205230194 808645331 /nfs/dbraw/zinc/64/53/31/808645331.db2.gz QXUNBQVVXBVGTQ-OAHLLOKOSA-N 2 1 284.350 2.300 20 0 CEADMP C[C@@H]1C[C@H](N(C)[C@@H]2CC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC001171765309 815228445 /nfs/dbraw/zinc/22/84/45/815228445.db2.gz XWZGABOTEYRWSE-NXHRZFHOSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1C[C@H](N(C)[C@@H]2CC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC001171765309 815228451 /nfs/dbraw/zinc/22/84/51/815228451.db2.gz XWZGABOTEYRWSE-NXHRZFHOSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1C[C@H](N(C)[C@@H]2CC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC001171765309 815228456 /nfs/dbraw/zinc/22/84/56/815228456.db2.gz XWZGABOTEYRWSE-NXHRZFHOSA-N 2 1 287.451 2.285 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001171770693 815230269 /nfs/dbraw/zinc/23/02/69/815230269.db2.gz XUNXGHVRHCTCPL-HNNXBMFYSA-N 2 1 291.439 2.185 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)c2ncc[nH]2)C1 ZINC000353619820 808833758 /nfs/dbraw/zinc/83/37/58/808833758.db2.gz IXDSHJPMNXYAAD-KGLIPLIRSA-N 2 1 264.417 2.428 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H]1C[C@@H](OC)C12CCC2)C(C)C ZINC000453090375 809036741 /nfs/dbraw/zinc/03/67/41/809036741.db2.gz KKJQBAXKVRGSPC-ZIAGYGMSSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H]1C[C@@H](OC)C12CCC2)C(C)C ZINC000453090375 809036749 /nfs/dbraw/zinc/03/67/49/809036749.db2.gz KKJQBAXKVRGSPC-ZIAGYGMSSA-N 2 1 254.418 2.264 20 0 CEADMP COc1ccc(CC[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1OC ZINC001206155048 815266397 /nfs/dbraw/zinc/26/63/97/815266397.db2.gz KZCYFXXOCDEGIM-KGLIPLIRSA-N 2 1 296.386 2.008 20 0 CEADMP COc1ccc(CCN2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1OC ZINC001206155048 815266401 /nfs/dbraw/zinc/26/64/01/815266401.db2.gz KZCYFXXOCDEGIM-KGLIPLIRSA-N 2 1 296.386 2.008 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472482 809318243 /nfs/dbraw/zinc/31/82/43/809318243.db2.gz WRBIWTUWCOXQML-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033472482 809318249 /nfs/dbraw/zinc/31/82/49/809318249.db2.gz WRBIWTUWCOXQML-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033472482 809318256 /nfs/dbraw/zinc/31/82/56/809318256.db2.gz WRBIWTUWCOXQML-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)C2 ZINC001172099712 815282697 /nfs/dbraw/zinc/28/26/97/815282697.db2.gz NEWBMUONMQKFKB-TVFCKZIOSA-N 2 1 288.435 2.195 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)C2 ZINC001172099712 815282701 /nfs/dbraw/zinc/28/27/01/815282701.db2.gz NEWBMUONMQKFKB-TVFCKZIOSA-N 2 1 288.435 2.195 20 0 CEADMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033658203 809371541 /nfs/dbraw/zinc/37/15/41/809371541.db2.gz RQJSAFUKLQGYRF-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP COC(=O)[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1C ZINC001172124927 815285770 /nfs/dbraw/zinc/28/57/70/815285770.db2.gz NAGKFUBIVSKZRX-AALSBFMBSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1C ZINC001172124927 815285774 /nfs/dbraw/zinc/28/57/74/815285774.db2.gz NAGKFUBIVSKZRX-AALSBFMBSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1C ZINC001172124927 815285779 /nfs/dbraw/zinc/28/57/79/815285779.db2.gz NAGKFUBIVSKZRX-AALSBFMBSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC001172124927 815285784 /nfs/dbraw/zinc/28/57/84/815285784.db2.gz NAGKFUBIVSKZRX-AALSBFMBSA-N 2 1 294.439 2.275 20 0 CEADMP CC[C@@H]1COCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128137 815288886 /nfs/dbraw/zinc/28/88/86/815288886.db2.gz PMWZYFKNQLRINF-APIJFGDWSA-N 2 1 252.402 2.113 20 0 CEADMP CC[C@@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128137 815288888 /nfs/dbraw/zinc/28/88/88/815288888.db2.gz PMWZYFKNQLRINF-APIJFGDWSA-N 2 1 252.402 2.113 20 0 CEADMP CC[C@@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128137 815288893 /nfs/dbraw/zinc/28/88/93/815288893.db2.gz PMWZYFKNQLRINF-APIJFGDWSA-N 2 1 252.402 2.113 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCC(C)C ZINC001128784490 809462440 /nfs/dbraw/zinc/46/24/40/809462440.db2.gz NMZSIDZADFTHPB-OAHLLOKOSA-N 2 1 283.460 2.003 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172104396 815293903 /nfs/dbraw/zinc/29/39/03/815293903.db2.gz FIDZLPROSNKIAP-JONQDZQNSA-N 2 1 265.445 2.074 20 0 CEADMP CC(C)[NH+]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172104396 815293908 /nfs/dbraw/zinc/29/39/08/815293908.db2.gz FIDZLPROSNKIAP-JONQDZQNSA-N 2 1 265.445 2.074 20 0 CEADMP CC(C)[NH+]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172104396 815293911 /nfs/dbraw/zinc/29/39/11/815293911.db2.gz FIDZLPROSNKIAP-JONQDZQNSA-N 2 1 265.445 2.074 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)cn1)C2 ZINC001172104220 815294173 /nfs/dbraw/zinc/29/41/73/815294173.db2.gz ARIYMLQHUXAPGJ-QKDCVEJESA-N 2 1 263.360 2.326 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)cn1)C2 ZINC001172104220 815294175 /nfs/dbraw/zinc/29/41/75/815294175.db2.gz ARIYMLQHUXAPGJ-QKDCVEJESA-N 2 1 263.360 2.326 20 0 CEADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCCCO)C2 ZINC000702091310 809506119 /nfs/dbraw/zinc/50/61/19/809506119.db2.gz XZGDLQMPYTUICP-ZWKOTPCHSA-N 2 1 288.435 2.213 20 0 CEADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCCCO)C2 ZINC000702091310 809506123 /nfs/dbraw/zinc/50/61/23/809506123.db2.gz XZGDLQMPYTUICP-ZWKOTPCHSA-N 2 1 288.435 2.213 20 0 CEADMP C[C@]12C[NH+](CCCCO)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702091310 809506124 /nfs/dbraw/zinc/50/61/24/809506124.db2.gz XZGDLQMPYTUICP-ZWKOTPCHSA-N 2 1 288.435 2.213 20 0 CEADMP C[C@]12C[NH+](CCCCO)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702091310 809506130 /nfs/dbraw/zinc/50/61/30/809506130.db2.gz XZGDLQMPYTUICP-ZWKOTPCHSA-N 2 1 288.435 2.213 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H]1CCCC[N@@H+]1C)C2 ZINC001172101947 815295008 /nfs/dbraw/zinc/29/50/08/815295008.db2.gz IJCVIROJQCPCAR-QKPAOTATSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCCC[C@@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172101947 815295013 /nfs/dbraw/zinc/29/50/13/815295013.db2.gz IJCVIROJQCPCAR-QKPAOTATSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCCC[C@@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101947 815295015 /nfs/dbraw/zinc/29/50/15/815295015.db2.gz IJCVIROJQCPCAR-QKPAOTATSA-N 2 1 265.445 2.076 20 0 CEADMP CN1CCCC[C@@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172101947 815295020 /nfs/dbraw/zinc/29/50/20/815295020.db2.gz IJCVIROJQCPCAR-QKPAOTATSA-N 2 1 265.445 2.076 20 0 CEADMP CN1CCCC[C@@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101947 815295024 /nfs/dbraw/zinc/29/50/24/815295024.db2.gz IJCVIROJQCPCAR-QKPAOTATSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC001172112861 815300471 /nfs/dbraw/zinc/30/04/71/815300471.db2.gz GEBFLWVVUPYJQO-SBAKFKMJSA-N 2 1 252.402 2.111 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC13CCOCC3)C2 ZINC001172107481 815296352 /nfs/dbraw/zinc/29/63/52/815296352.db2.gz YGCLPRJRHCXWAM-APIJFGDWSA-N 2 1 264.413 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC13CCOCC3)C2 ZINC001172107481 815296355 /nfs/dbraw/zinc/29/63/55/815296355.db2.gz YGCLPRJRHCXWAM-APIJFGDWSA-N 2 1 264.413 2.160 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC001172112861 815300477 /nfs/dbraw/zinc/30/04/77/815300477.db2.gz GEBFLWVVUPYJQO-SBAKFKMJSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC001172112861 815300482 /nfs/dbraw/zinc/30/04/82/815300482.db2.gz GEBFLWVVUPYJQO-SBAKFKMJSA-N 2 1 252.402 2.111 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)C2 ZINC001172105139 815296585 /nfs/dbraw/zinc/29/65/85/815296585.db2.gz HHKLBCMAGQNWDN-VWPFQQQWSA-N 2 1 292.398 2.464 20 0 CEADMP COCC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001172111268 815300758 /nfs/dbraw/zinc/30/07/58/815300758.db2.gz PEMFKZNEWWPGBC-MUJYYYPQSA-N 2 1 296.455 2.035 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378041 809593407 /nfs/dbraw/zinc/59/34/07/809593407.db2.gz OJAQKMGOYCCAIX-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034396498 809600603 /nfs/dbraw/zinc/60/06/03/809600603.db2.gz GUWVKHWMAHRVRK-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001034396498 809600608 /nfs/dbraw/zinc/60/06/08/809600608.db2.gz GUWVKHWMAHRVRK-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034396498 809600614 /nfs/dbraw/zinc/60/06/14/809600614.db2.gz GUWVKHWMAHRVRK-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172114073 815304014 /nfs/dbraw/zinc/30/40/14/815304014.db2.gz OTCDGLPVUKRPMC-QCODTGAPSA-N 2 1 294.439 2.323 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172114073 815304020 /nfs/dbraw/zinc/30/40/20/815304020.db2.gz OTCDGLPVUKRPMC-QCODTGAPSA-N 2 1 294.439 2.323 20 0 CEADMP CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001045528908 809658226 /nfs/dbraw/zinc/65/82/26/809658226.db2.gz HPCYFTDGPDGPRM-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCOCc1ccccc1)C2 ZINC000703573485 809666258 /nfs/dbraw/zinc/66/62/58/809666258.db2.gz MIZSISCEALCTJO-DLBZAZTESA-N 2 1 274.408 2.135 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC[C@@H]1CC1(Cl)Cl)C2 ZINC000703574929 809667120 /nfs/dbraw/zinc/66/71/20/809667120.db2.gz AWJKDELLQLKIRB-OUAUKWLOSA-N 2 1 263.212 2.112 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC[C@@H]1CC1(Cl)Cl)C2 ZINC000703574929 809667123 /nfs/dbraw/zinc/66/71/23/809667123.db2.gz AWJKDELLQLKIRB-OUAUKWLOSA-N 2 1 263.212 2.112 20 0 CEADMP COC(=O)[C@]1(C)CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001172121238 815309491 /nfs/dbraw/zinc/30/94/91/815309491.db2.gz CWGULZBTIWWYFI-WBTNSWJXSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@]1(C)CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121238 815309496 /nfs/dbraw/zinc/30/94/96/815309496.db2.gz CWGULZBTIWWYFI-WBTNSWJXSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@]1(C)CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121238 815309502 /nfs/dbraw/zinc/30/95/02/815309502.db2.gz CWGULZBTIWWYFI-WBTNSWJXSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@]1(C)CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172121238 815309508 /nfs/dbraw/zinc/30/95/08/815309508.db2.gz CWGULZBTIWWYFI-WBTNSWJXSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@]1(C)CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121238 815309515 /nfs/dbraw/zinc/30/95/15/815309515.db2.gz CWGULZBTIWWYFI-WBTNSWJXSA-N 2 1 294.439 2.277 20 0 CEADMP C[NH2+][C@H](C)CC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC001118019488 809714984 /nfs/dbraw/zinc/71/49/84/809714984.db2.gz OFSGKMKQBVBYHM-GFCCVEGCSA-N 2 1 276.359 2.099 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000704169664 809722078 /nfs/dbraw/zinc/72/20/78/809722078.db2.gz DQAFODURDSBZOC-JTQLQIEISA-N 2 1 273.302 2.271 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@](O)(CF)CC1)C2 ZINC001172121673 815311446 /nfs/dbraw/zinc/31/14/46/815311446.db2.gz SHUKEOLKKUYZPD-FXUDXRNXSA-N 2 1 284.419 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@](O)(CF)CC1)C2 ZINC001172121673 815311450 /nfs/dbraw/zinc/31/14/50/815311450.db2.gz SHUKEOLKKUYZPD-FXUDXRNXSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@](O)(CF)CC1)C2 ZINC001172121673 815311456 /nfs/dbraw/zinc/31/14/56/815311456.db2.gz SHUKEOLKKUYZPD-FXUDXRNXSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@](O)(CF)CC1)C2 ZINC001172121673 815311464 /nfs/dbraw/zinc/31/14/64/815311464.db2.gz SHUKEOLKKUYZPD-FXUDXRNXSA-N 2 1 284.419 2.188 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172124329 815315299 /nfs/dbraw/zinc/31/52/99/815315299.db2.gz KQTNGOOWBYTNFF-DGXTUMSLSA-N 2 1 294.439 2.133 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172124329 815315305 /nfs/dbraw/zinc/31/53/05/815315305.db2.gz KQTNGOOWBYTNFF-DGXTUMSLSA-N 2 1 294.439 2.133 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172124329 815315311 /nfs/dbraw/zinc/31/53/11/815315311.db2.gz KQTNGOOWBYTNFF-DGXTUMSLSA-N 2 1 294.439 2.133 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172124329 815315315 /nfs/dbraw/zinc/31/53/15/815315315.db2.gz KQTNGOOWBYTNFF-DGXTUMSLSA-N 2 1 294.439 2.133 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC3=O)CC1)C2 ZINC001172123335 815315429 /nfs/dbraw/zinc/31/54/29/815315429.db2.gz BYGCCWOJQDGXHC-FICVDOATSA-N 2 1 292.423 2.031 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CSc3ccccc3C2)C1 ZINC001172190025 815318676 /nfs/dbraw/zinc/31/86/76/815318676.db2.gz ICWCYHHZVLTTPV-GXTWGEPZSA-N 2 1 262.422 2.245 20 0 CEADMP C[N@@H+](C[C@@H]1CC(C)(C)CO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000708342061 809927182 /nfs/dbraw/zinc/92/71/82/809927182.db2.gz XVUUGYVQJDNGPG-PIGZVRMJSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cncnc1 ZINC000708544848 809945603 /nfs/dbraw/zinc/94/56/03/809945603.db2.gz TTWPLVWJDGKNKS-MAUKXSAKSA-N 2 1 296.418 2.334 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cncnc1 ZINC000708544848 809945605 /nfs/dbraw/zinc/94/56/05/809945605.db2.gz TTWPLVWJDGKNKS-MAUKXSAKSA-N 2 1 296.418 2.334 20 0 CEADMP CC1(C)CC[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)OC1 ZINC000709848572 809972566 /nfs/dbraw/zinc/97/25/66/809972566.db2.gz JIYWPPZQKVBEFU-GOEBONIOSA-N 2 1 266.429 2.267 20 0 CEADMP CC1(C)C[C@H](C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C(C)(C)O1 ZINC000711223563 810050063 /nfs/dbraw/zinc/05/00/63/810050063.db2.gz IWIVESLBBSLIGQ-MCIONIFRSA-N 2 1 266.429 2.406 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C(C)(C)O1 ZINC000711223563 810050067 /nfs/dbraw/zinc/05/00/67/810050067.db2.gz IWIVESLBBSLIGQ-MCIONIFRSA-N 2 1 266.429 2.406 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000711838383 810097552 /nfs/dbraw/zinc/09/75/52/810097552.db2.gz CFVOOKJBJKGQAF-ZBFHGGJFSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1C ZINC000923506914 810104316 /nfs/dbraw/zinc/10/43/16/810104316.db2.gz HILGMRNTZNGWFE-ZFWWWQNUSA-N 2 1 289.423 2.159 20 0 CEADMP CCCC[N@@H+](C)CCC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172233080 815344354 /nfs/dbraw/zinc/34/43/54/815344354.db2.gz POJYLABONOKXGK-GOOCMWNKSA-N 2 1 252.402 2.184 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCCC[C@H](F)C2)CC1 ZINC001172252205 815358743 /nfs/dbraw/zinc/35/87/43/815358743.db2.gz IQIBOGFLSZOURT-AWEZNQCLSA-N 2 1 272.408 2.311 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCCC[C@H](F)C2)CC1 ZINC001172252205 815358750 /nfs/dbraw/zinc/35/87/50/815358750.db2.gz IQIBOGFLSZOURT-AWEZNQCLSA-N 2 1 272.408 2.311 20 0 CEADMP COCCCN1CCC([N@@H+](C)C[C@H]2CC2(C)C)CC1 ZINC001172253131 815359712 /nfs/dbraw/zinc/35/97/12/815359712.db2.gz CXSQIPXOMFDRKN-CQSZACIVSA-N 2 1 268.445 2.465 20 0 CEADMP COCCC[NH+]1CCC([N@H+](C)C[C@H]2CC2(C)C)CC1 ZINC001172253131 815359716 /nfs/dbraw/zinc/35/97/16/815359716.db2.gz CXSQIPXOMFDRKN-CQSZACIVSA-N 2 1 268.445 2.465 20 0 CEADMP COCCC[NH+]1CCC([N@@H+](C)C[C@H]2CC2(C)C)CC1 ZINC001172253131 815359720 /nfs/dbraw/zinc/35/97/20/815359720.db2.gz CXSQIPXOMFDRKN-CQSZACIVSA-N 2 1 268.445 2.465 20 0 CEADMP COCCC[NH+]1CCC([N@H+](C)CC(C)(C)C)CC1 ZINC001172256443 815361388 /nfs/dbraw/zinc/36/13/88/815361388.db2.gz WRCQFLLLPVTRJS-UHFFFAOYSA-N 2 1 256.434 2.465 20 0 CEADMP COCCC[NH+]1CCC([N@@H+](C)CC(C)(C)C)CC1 ZINC001172256443 815361393 /nfs/dbraw/zinc/36/13/93/815361393.db2.gz WRCQFLLLPVTRJS-UHFFFAOYSA-N 2 1 256.434 2.465 20 0 CEADMP C[NH2+]CCCCC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001121908780 815364848 /nfs/dbraw/zinc/36/48/48/815364848.db2.gz CVCAQYIWHIGDGP-IYBDPMFKSA-N 2 1 297.487 2.250 20 0 CEADMP CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082559523 810386677 /nfs/dbraw/zinc/38/66/77/810386677.db2.gz IDHNAUMZCSLTNO-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001017208550 810499338 /nfs/dbraw/zinc/49/93/38/810499338.db2.gz IEIJAVPUBJULNW-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001017208550 810499346 /nfs/dbraw/zinc/49/93/46/810499346.db2.gz IEIJAVPUBJULNW-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001017208550 810499350 /nfs/dbraw/zinc/49/93/50/810499350.db2.gz IEIJAVPUBJULNW-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CC(C)(C)C[NH3+])C1 ZINC001121990412 815374166 /nfs/dbraw/zinc/37/41/66/815374166.db2.gz CXOOSNSSPDIFOQ-GASCZTMLSA-N 2 1 297.487 2.236 20 0 CEADMP C[N@H+](C1CCOCC1)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC001172289220 815381382 /nfs/dbraw/zinc/38/13/82/815381382.db2.gz UNMHPKVAXWYTHK-INIZCTEOSA-N 2 1 296.455 2.129 20 0 CEADMP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC001172289220 815381388 /nfs/dbraw/zinc/38/13/88/815381388.db2.gz UNMHPKVAXWYTHK-INIZCTEOSA-N 2 1 296.455 2.129 20 0 CEADMP COC1CC[NH+](C2CC[NH+]([C@H]3COC(C)(C)C3)CC2)CC1 ZINC001172291735 815383153 /nfs/dbraw/zinc/38/31/53/815383153.db2.gz CJKDYAOVXUBVNW-OAHLLOKOSA-N 2 1 296.455 2.129 20 0 CEADMP CC(C)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001018968018 810668797 /nfs/dbraw/zinc/66/87/97/810668797.db2.gz PIPDXYNUTKNSOJ-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001085352557 810729303 /nfs/dbraw/zinc/72/93/03/810729303.db2.gz MSJPSPAOCNDPCD-OAGGEKHMSA-N 2 1 295.471 2.286 20 0 CEADMP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904237 810770653 /nfs/dbraw/zinc/77/06/53/810770653.db2.gz QGLZEHBLZPSODU-LSDHHAIUSA-N 2 1 285.476 2.201 20 0 CEADMP COC[C@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)C(C)C ZINC000721765618 810837233 /nfs/dbraw/zinc/83/72/33/810837233.db2.gz ADQUTGAVLPEUML-AWEZNQCLSA-N 2 1 256.434 2.369 20 0 CEADMP CCOCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172415502 815413278 /nfs/dbraw/zinc/41/32/78/815413278.db2.gz WEXFUNABONOMJF-APIJFGDWSA-N 2 1 254.418 2.406 20 0 CEADMP CCOCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172415502 815413280 /nfs/dbraw/zinc/41/32/80/815413280.db2.gz WEXFUNABONOMJF-APIJFGDWSA-N 2 1 254.418 2.406 20 0 CEADMP CCCN(CCC)c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001155182118 811013516 /nfs/dbraw/zinc/01/35/16/811013516.db2.gz IAOGKEOYFYBPCB-UHFFFAOYSA-N 2 1 277.416 2.031 20 0 CEADMP CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086497386 811169525 /nfs/dbraw/zinc/16/95/25/811169525.db2.gz JVDASGMAQAPHLL-JYJNAYRXSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c(F)cncc2F)CCC[C@H]1C[NH3+] ZINC001205992011 811235916 /nfs/dbraw/zinc/23/59/16/811235916.db2.gz CVARLRXGLROJGI-MNOVXSKESA-N 2 1 269.339 2.167 20 0 CEADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001169058398 811359329 /nfs/dbraw/zinc/35/93/29/811359329.db2.gz HGJNFWPZQQHGJL-IRXDYDNUSA-N 2 1 276.424 2.303 20 0 CEADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001169058398 811359336 /nfs/dbraw/zinc/35/93/36/811359336.db2.gz HGJNFWPZQQHGJL-IRXDYDNUSA-N 2 1 276.424 2.303 20 0 CEADMP CCCC[N@@H+](CC)CCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169096779 811367871 /nfs/dbraw/zinc/36/78/71/811367871.db2.gz YJBGURZUKIUCGS-MUJYYYPQSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](CC)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169096779 811367887 /nfs/dbraw/zinc/36/78/87/811367887.db2.gz YJBGURZUKIUCGS-MUJYYYPQSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](CC)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169096779 811367896 /nfs/dbraw/zinc/36/78/96/811367896.db2.gz YJBGURZUKIUCGS-MUJYYYPQSA-N 2 1 267.461 2.323 20 0 CEADMP CSCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)O ZINC001169098422 811369832 /nfs/dbraw/zinc/36/98/32/811369832.db2.gz HXQSMZPHHUCFLP-YIYPIFLZSA-N 2 1 286.485 2.094 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCC[NH+]1CCCC1)C2 ZINC001169100054 811372963 /nfs/dbraw/zinc/37/29/63/811372963.db2.gz FLNHUARKGBESFZ-OSYLJGHBSA-N 3 1 279.472 2.467 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCC[NH+]1CCCC1)C2 ZINC001169100054 811372973 /nfs/dbraw/zinc/37/29/73/811372973.db2.gz FLNHUARKGBESFZ-OSYLJGHBSA-N 2 1 279.472 2.467 20 0 CEADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC001169082162 811381264 /nfs/dbraw/zinc/38/12/64/811381264.db2.gz YCTHPKAEQHUHBB-QDMKHBRRSA-N 2 1 290.407 2.419 20 0 CEADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC001169082162 811381273 /nfs/dbraw/zinc/38/12/73/811381273.db2.gz YCTHPKAEQHUHBB-QDMKHBRRSA-N 2 1 290.407 2.419 20 0 CEADMP CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001169091845 811382226 /nfs/dbraw/zinc/38/22/26/811382226.db2.gz WDDHAHZYVIRPJT-QKDCVEJESA-N 2 1 275.396 2.195 20 0 CEADMP CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169091845 811382235 /nfs/dbraw/zinc/38/22/35/811382235.db2.gz WDDHAHZYVIRPJT-QKDCVEJESA-N 2 1 275.396 2.195 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(-c3ncon3)cc1)C2 ZINC001169090846 811384828 /nfs/dbraw/zinc/38/48/28/811384828.db2.gz MDXYVDTWYASVQN-MUJYYYPQSA-N 2 1 298.390 2.451 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(-c3ncon3)cc1)C2 ZINC001169090846 811384836 /nfs/dbraw/zinc/38/48/36/811384836.db2.gz MDXYVDTWYASVQN-MUJYYYPQSA-N 2 1 298.390 2.451 20 0 CEADMP Cc1ccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169123645 811390664 /nfs/dbraw/zinc/39/06/64/811390664.db2.gz LUQMVIWAAAQIQP-WCXIOVBPSA-N 2 1 274.408 2.243 20 0 CEADMP Cc1ccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169123645 811390674 /nfs/dbraw/zinc/39/06/74/811390674.db2.gz LUQMVIWAAAQIQP-WCXIOVBPSA-N 2 1 274.408 2.243 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cnc3ccc(F)cn13)C2 ZINC001169123783 811392301 /nfs/dbraw/zinc/39/23/01/811392301.db2.gz MVZLCTNVBLHXJM-ZSOGYDGISA-N 2 1 288.370 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cnc3ccc(F)cn13)C2 ZINC001169123783 811392313 /nfs/dbraw/zinc/39/23/13/811392313.db2.gz MVZLCTNVBLHXJM-ZSOGYDGISA-N 2 1 288.370 2.188 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCC[C@]1(C)O ZINC001169125637 811396949 /nfs/dbraw/zinc/39/69/49/811396949.db2.gz KGWLFBNUMWABJL-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC[C@]1(C)O ZINC001169125637 811396958 /nfs/dbraw/zinc/39/69/58/811396958.db2.gz KGWLFBNUMWABJL-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC[C@]1(C)O ZINC001169125637 811396967 /nfs/dbraw/zinc/39/69/67/811396967.db2.gz KGWLFBNUMWABJL-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]3CCCO[C@@H]3C1)C2 ZINC001169129907 811398530 /nfs/dbraw/zinc/39/85/30/811398530.db2.gz LQHMZBTUXZGFJC-IBEHDNSVSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H]3CCCO[C@@H]3C1)C2 ZINC001169129907 811398538 /nfs/dbraw/zinc/39/85/38/811398538.db2.gz LQHMZBTUXZGFJC-IBEHDNSVSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H]3CCCO[C@@H]3C1)C2 ZINC001169129907 811398547 /nfs/dbraw/zinc/39/85/47/811398547.db2.gz LQHMZBTUXZGFJC-IBEHDNSVSA-N 2 1 264.413 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCC1CC[NH+](C)CC1)C2 ZINC001169109446 811404661 /nfs/dbraw/zinc/40/46/61/811404661.db2.gz INVUFJALAYMICD-OSYLJGHBSA-N 3 1 279.472 2.323 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCC1CC[NH+](C)CC1)C2 ZINC001169109446 811404665 /nfs/dbraw/zinc/40/46/65/811404665.db2.gz INVUFJALAYMICD-OSYLJGHBSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+](C3CCCC3)CC1)C2 ZINC001169141060 811406716 /nfs/dbraw/zinc/40/67/16/811406716.db2.gz OLMJMICDTVZFMW-BJWYYQGGSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH2+]Cc1c(C)nn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC001169147243 811410474 /nfs/dbraw/zinc/41/04/74/811410474.db2.gz TUJMBHMCCZTVIQ-BTTYYORXSA-N 2 1 262.401 2.017 20 0 CEADMP Cc1nnc([C@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)o1 ZINC001169155245 811417062 /nfs/dbraw/zinc/41/70/62/811417062.db2.gz LPENVAHXDISTQC-XQLPTFJDSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nnc([C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)o1 ZINC001169155245 811417067 /nfs/dbraw/zinc/41/70/67/811417067.db2.gz LPENVAHXDISTQC-XQLPTFJDSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nnc([C@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)o1 ZINC001169155245 811417071 /nfs/dbraw/zinc/41/70/71/811417071.db2.gz LPENVAHXDISTQC-XQLPTFJDSA-N 2 1 290.411 2.183 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]([NH+]3CCCC3)[C@@H](F)C1)C2 ZINC001169161160 811420495 /nfs/dbraw/zinc/42/04/95/811420495.db2.gz OYUXTOWGXMTTKI-JZAWBGDQSA-N 2 1 295.446 2.120 20 0 CEADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC001169230379 811444083 /nfs/dbraw/zinc/44/40/83/811444083.db2.gz ZZACBEISXIQJQE-HDJSIYSDSA-N 2 1 282.428 2.182 20 0 CEADMP CCOC(=O)C[C@@H]1CCC[N@H+](C2CCN(CC)CC2)C1 ZINC001169246249 811460190 /nfs/dbraw/zinc/46/01/90/811460190.db2.gz QPNQGZBZZIDMAL-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)C[C@@H]1CCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC001169246249 811460204 /nfs/dbraw/zinc/46/02/04/811460204.db2.gz QPNQGZBZZIDMAL-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001169455865 811517868 /nfs/dbraw/zinc/51/78/68/811517868.db2.gz DTNSJXIJGBJTAA-JYJNAYRXSA-N 2 1 297.487 2.342 20 0 CEADMP CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001045444966 811612652 /nfs/dbraw/zinc/61/26/52/811612652.db2.gz MOZKCQVPNIZBGA-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP COc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC001206014480 811614267 /nfs/dbraw/zinc/61/42/67/811614267.db2.gz WURQNUHVFMOKMP-YPMHNXCESA-N 2 1 281.375 2.036 20 0 CEADMP CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001045536309 811622162 /nfs/dbraw/zinc/62/21/62/811622162.db2.gz OTYQARCYCWWKKI-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(-n2cc(CC[NH3+])c3ncccc32)c2[nH+]ccn2c1 ZINC001169711274 811637472 /nfs/dbraw/zinc/63/74/72/811637472.db2.gz UVQNZLKWYMUNRG-UHFFFAOYSA-N 2 1 291.358 2.483 20 0 CEADMP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169797210 811664732 /nfs/dbraw/zinc/66/47/32/811664732.db2.gz BTDGIEKWMRTQPD-HOCLYGCPSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169798921 811665420 /nfs/dbraw/zinc/66/54/20/811665420.db2.gz SSUNCDUINRJZJS-JKSUJKDBSA-N 2 1 297.487 2.391 20 0 CEADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169810584 811677468 /nfs/dbraw/zinc/67/74/68/811677468.db2.gz RARFXBDEGZSJPJ-GJZGRUSLSA-N 2 1 283.460 2.145 20 0 CEADMP CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046562395 811775058 /nfs/dbraw/zinc/77/50/58/811775058.db2.gz NCOOHHJIGLITSR-DOTOQJQBSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001046562395 811775061 /nfs/dbraw/zinc/77/50/61/811775061.db2.gz NCOOHHJIGLITSR-DOTOQJQBSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046562395 811775064 /nfs/dbraw/zinc/77/50/64/811775064.db2.gz NCOOHHJIGLITSR-DOTOQJQBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2N)CCC[C@@H]1C[NH3+] ZINC001206027856 811885285 /nfs/dbraw/zinc/88/52/85/811885285.db2.gz WXRMMLUWTJRSGL-VXGBXAGGSA-N 2 1 265.376 2.215 20 0 CEADMP Cc1ncc(F)cc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206563883 811945887 /nfs/dbraw/zinc/94/58/87/811945887.db2.gz JPMOBSPYTZROTI-OAHLLOKOSA-N 2 1 265.376 2.480 20 0 CEADMP Cc1ncc(F)cc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206563883 811945892 /nfs/dbraw/zinc/94/58/92/811945892.db2.gz JPMOBSPYTZROTI-OAHLLOKOSA-N 2 1 265.376 2.480 20 0 CEADMP Cc1cc(O)cc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206174793 815492507 /nfs/dbraw/zinc/49/25/07/815492507.db2.gz PNHULRVRAVQOPS-HUUCEWRRSA-N 2 1 266.360 2.270 20 0 CEADMP Cc1cc(O)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206174793 815492510 /nfs/dbraw/zinc/49/25/10/815492510.db2.gz PNHULRVRAVQOPS-HUUCEWRRSA-N 2 1 266.360 2.270 20 0 CEADMP CC(C)CCC[C@@H](C)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001170088457 812117714 /nfs/dbraw/zinc/11/77/14/812117714.db2.gz SVEWBTQLYQLEDF-MRXNPFEDSA-N 2 1 269.477 2.380 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001113010830 812142934 /nfs/dbraw/zinc/14/29/34/812142934.db2.gz OQQBJQZPVMKNIU-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCOc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(F)cn1 ZINC001206036770 812156468 /nfs/dbraw/zinc/15/64/68/812156468.db2.gz PVQMJXLVMQMYDC-CHWSQXEVSA-N 2 1 295.402 2.426 20 0 CEADMP CC[C@H](C)C[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113353320 812226631 /nfs/dbraw/zinc/22/66/31/812226631.db2.gz ZHJKZQGIYLHTQQ-HNNXBMFYSA-N 2 1 297.487 2.155 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)CC1 ZINC001172792642 815524107 /nfs/dbraw/zinc/52/41/07/815524107.db2.gz QIXVNDWAKMEDDW-QLFBSQMISA-N 2 1 282.428 2.182 20 0 CEADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](C)CC1 ZINC001170406412 812406401 /nfs/dbraw/zinc/40/64/01/812406401.db2.gz YPXDLXRXLXSMKI-AWEZNQCLSA-N 2 1 290.407 2.420 20 0 CEADMP CC/C=C\CC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130188583 812541258 /nfs/dbraw/zinc/54/12/58/812541258.db2.gz GSFURXPJYSEBEJ-JNXQLMTMSA-N 2 1 293.455 2.065 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC(C)(C)C ZINC001130710836 812600528 /nfs/dbraw/zinc/60/05/28/812600528.db2.gz GOWIXMPRCBMXPW-HNNXBMFYSA-N 2 1 297.487 2.249 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C1 ZINC001172925122 815547047 /nfs/dbraw/zinc/54/70/47/815547047.db2.gz CYXRQUVGJQIMDY-CABCVRRESA-N 3 1 299.503 2.419 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(-n2ccnn2)cc1 ZINC001137365013 812715690 /nfs/dbraw/zinc/71/56/90/812715690.db2.gz BHTMKBYRGNHLAB-UHFFFAOYSA-N 2 1 299.422 2.185 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(-n2ccnn2)cc1 ZINC001137365013 812715694 /nfs/dbraw/zinc/71/56/94/812715694.db2.gz BHTMKBYRGNHLAB-UHFFFAOYSA-N 2 1 299.422 2.185 20 0 CEADMP Cc1cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cnc1Cl ZINC001139542612 812717932 /nfs/dbraw/zinc/71/79/32/812717932.db2.gz LLFRGIHVNIPNNE-KGLIPLIRSA-N 2 1 279.815 2.427 20 0 CEADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cnc1Cl ZINC001139542612 812717935 /nfs/dbraw/zinc/71/79/35/812717935.db2.gz LLFRGIHVNIPNNE-KGLIPLIRSA-N 2 1 279.815 2.427 20 0 CEADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cnc1Cl ZINC001139542612 812717940 /nfs/dbraw/zinc/71/79/40/812717940.db2.gz LLFRGIHVNIPNNE-KGLIPLIRSA-N 2 1 279.815 2.427 20 0 CEADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cnc1Cl ZINC001139542612 812717947 /nfs/dbraw/zinc/71/79/47/812717947.db2.gz LLFRGIHVNIPNNE-KGLIPLIRSA-N 2 1 279.815 2.427 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cnc1Cl ZINC001139542612 812717953 /nfs/dbraw/zinc/71/79/53/812717953.db2.gz LLFRGIHVNIPNNE-KGLIPLIRSA-N 2 1 279.815 2.427 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132105397 812788838 /nfs/dbraw/zinc/78/88/38/812788838.db2.gz GRRRCFAALNQRKG-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001050325417 812808393 /nfs/dbraw/zinc/80/83/93/812808393.db2.gz CDTOPLLQKORFGK-JYJNAYRXSA-N 2 1 295.471 2.144 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132269419 812814818 /nfs/dbraw/zinc/81/48/18/812814818.db2.gz JTNGVYYYIQGIIK-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCC2)C1 ZINC001132375229 812836131 /nfs/dbraw/zinc/83/61/31/812836131.db2.gz BVLIEIIRBKMLJJ-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132377560 812837095 /nfs/dbraw/zinc/83/70/95/812837095.db2.gz YIWYGJVRVAYDGP-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132435375 812850843 /nfs/dbraw/zinc/85/08/43/812850843.db2.gz CFVPGHWHMFFMGN-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132435375 812850855 /nfs/dbraw/zinc/85/08/55/812850855.db2.gz CFVPGHWHMFFMGN-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132435375 812850862 /nfs/dbraw/zinc/85/08/62/812850862.db2.gz CFVPGHWHMFFMGN-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132517450 812871352 /nfs/dbraw/zinc/87/13/52/812871352.db2.gz CIVUCXOJJYFWEO-CABCVRRESA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132517450 812871357 /nfs/dbraw/zinc/87/13/57/812871357.db2.gz CIVUCXOJJYFWEO-CABCVRRESA-N 2 1 283.460 2.096 20 0 CEADMP CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052378123 812983571 /nfs/dbraw/zinc/98/35/71/812983571.db2.gz RYCUBSVEEYNUQZ-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC)CC1 ZINC001052426153 812990685 /nfs/dbraw/zinc/99/06/85/812990685.db2.gz LLYZRHWNJCKSEN-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC)CC1 ZINC001052426153 812990691 /nfs/dbraw/zinc/99/06/91/812990691.db2.gz LLYZRHWNJCKSEN-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC)CC1 ZINC001052426153 812990695 /nfs/dbraw/zinc/99/06/95/812990695.db2.gz LLYZRHWNJCKSEN-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)C1CCC2(CCOCC2)CC1 ZINC001173042770 815568307 /nfs/dbraw/zinc/56/83/07/815568307.db2.gz KOFKHCXQZORWQQ-ZDUSSCGKSA-N 2 1 254.418 2.252 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170660241 812999270 /nfs/dbraw/zinc/99/92/70/812999270.db2.gz VNESMKJFUZPWPX-BXUZGUMPSA-N 2 1 280.362 2.363 20 0 CEADMP CC[C@@H]1CCCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000384810070 813075801 /nfs/dbraw/zinc/07/58/01/813075801.db2.gz PVKIZHFDNMBVIT-HUUCEWRRSA-N 2 1 254.418 2.098 20 0 CEADMP CC[C@@H]1CCCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000384810070 813075813 /nfs/dbraw/zinc/07/58/13/813075813.db2.gz PVKIZHFDNMBVIT-HUUCEWRRSA-N 2 1 254.418 2.098 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](CCN)C(C)C)CC1 ZINC001173101962 815580776 /nfs/dbraw/zinc/58/07/76/815580776.db2.gz QUIOWGSYKDHISH-UHFFFAOYSA-N 2 1 255.450 2.309 20 0 CEADMP CCC/C=C\CC[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133906480 813174475 /nfs/dbraw/zinc/17/44/75/813174475.db2.gz XMFOBLYDKKMMOC-HJWRWDBZSA-N 2 1 297.487 2.417 20 0 CEADMP Clc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000386598070 813183954 /nfs/dbraw/zinc/18/39/54/813183954.db2.gz GNGIXGZEBUFAJA-BETUJISGSA-N 2 1 265.788 2.166 20 0 CEADMP C[NH2+]CCc1cn([C@@H]2CC[N@@H+](C)C2)c2ccccc12 ZINC001255440203 813203786 /nfs/dbraw/zinc/20/37/86/813203786.db2.gz AAGPURJDPSDIQK-CQSZACIVSA-N 2 1 257.381 2.280 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCCC(C)(C)[NH3+] ZINC000389857935 813256663 /nfs/dbraw/zinc/25/66/63/813256663.db2.gz CUPFKGCTSORVHC-ZBFHGGJFSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCCC(C)(C)[NH3+] ZINC000389857935 813256664 /nfs/dbraw/zinc/25/66/64/813256664.db2.gz CUPFKGCTSORVHC-ZBFHGGJFSA-N 2 1 275.440 2.224 20 0 CEADMP CC1(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCCC1 ZINC000394135181 813349873 /nfs/dbraw/zinc/34/98/73/813349873.db2.gz GZWWHJFKKVLZOX-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP CC1(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CCCC1 ZINC000394135181 813349881 /nfs/dbraw/zinc/34/98/81/813349881.db2.gz GZWWHJFKKVLZOX-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCOCC1)C2 ZINC001170789043 813361300 /nfs/dbraw/zinc/36/13/00/813361300.db2.gz YEIYFQINUOZGKP-APIJFGDWSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCOCC1)C2 ZINC001170789043 813361308 /nfs/dbraw/zinc/36/13/08/813361308.db2.gz YEIYFQINUOZGKP-APIJFGDWSA-N 2 1 252.402 2.160 20 0 CEADMP CC(C)(C)CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135102481 813365513 /nfs/dbraw/zinc/36/55/13/813365513.db2.gz FAFRQACUCZMAAE-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1CCCOCC1 ZINC001170797390 813373693 /nfs/dbraw/zinc/37/36/93/813373693.db2.gz UPUGFPBINLMQOG-AWEZNQCLSA-N 3 1 285.476 2.031 20 0 CEADMP CC(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477401 813447165 /nfs/dbraw/zinc/44/71/65/813447165.db2.gz UYRBESDUFMGUOE-HUUCEWRRSA-N 2 1 297.487 2.247 20 0 CEADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072072359 813541863 /nfs/dbraw/zinc/54/18/63/813541863.db2.gz JCLULOVIWBLVDK-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CC1 ZINC001135860432 813548750 /nfs/dbraw/zinc/54/87/50/813548750.db2.gz BKBYGPAKYWXSMY-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP CC[C@]([NH3+])(CO)Nc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001170865773 813566112 /nfs/dbraw/zinc/56/61/12/813566112.db2.gz IJAFERCOQLDMBU-MRXNPFEDSA-N 2 1 275.396 2.157 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)C[NH2+]1 ZINC001246366694 813800289 /nfs/dbraw/zinc/80/02/89/813800289.db2.gz PSBLPPSLOUGONL-YOEHRIQHSA-N 3 1 279.472 2.229 20 0 CEADMP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246504373 813878953 /nfs/dbraw/zinc/87/89/53/813878953.db2.gz PURAUBXVKAMCCJ-FPCVCCKLSA-N 3 1 267.461 2.370 20 0 CEADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246542482 813957292 /nfs/dbraw/zinc/95/72/92/813957292.db2.gz PPFCPPZMQCMYCM-APIJFGDWSA-N 3 1 253.434 2.109 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246542482 813957294 /nfs/dbraw/zinc/95/72/94/813957294.db2.gz PPFCPPZMQCMYCM-APIJFGDWSA-N 3 1 253.434 2.109 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)C[C@H](C)O1 ZINC001246548265 813991304 /nfs/dbraw/zinc/99/13/04/813991304.db2.gz JYHRUWWFUJTEGP-CRWXNKLISA-N 2 1 258.381 2.095 20 0 CEADMP CCNC(=O)OC1CC[NH+]([C@H](C)CC[NH+](CC)CC)CC1 ZINC001255965701 814063725 /nfs/dbraw/zinc/06/37/25/814063725.db2.gz HCEFQJKPQNVTCA-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001255972297 814065433 /nfs/dbraw/zinc/06/54/33/814065433.db2.gz OZCRHNUZWDKVJZ-RDJZCZTQSA-N 2 1 297.487 2.438 20 0 CEADMP OC1CCC(CC[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256070754 814101731 /nfs/dbraw/zinc/10/17/31/814101731.db2.gz FMITUFVXXWUVMX-UHFFFAOYSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)CC1 ZINC001246572955 814107067 /nfs/dbraw/zinc/10/70/67/814107067.db2.gz DRUJLCDSUMHVNN-CGZBRXJRSA-N 3 1 279.472 2.360 20 0 CEADMP c1[nH+]c(CN2CCC([NH+]3CCCC3)CC2)c2ccccn12 ZINC001144611954 814127426 /nfs/dbraw/zinc/12/74/26/814127426.db2.gz XZVMGPYBGJSMPZ-UHFFFAOYSA-N 2 1 284.407 2.395 20 0 CEADMP CCN(CC[NH+](CC)CC)Cc1[nH+]cn2ccccc12 ZINC001144621934 814129965 /nfs/dbraw/zinc/12/99/65/814129965.db2.gz CRNZMPDKWHGVKY-UHFFFAOYSA-N 2 1 274.412 2.498 20 0 CEADMP COC1CCC([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001246577788 814130123 /nfs/dbraw/zinc/13/01/23/814130123.db2.gz POYATFDVRPGPJE-YMAMQOFZSA-N 2 1 254.418 2.395 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2CC([NH2+]C(C)C)C2)C1 ZINC001091198657 814177109 /nfs/dbraw/zinc/17/71/09/814177109.db2.gz OICBHMAJPHDSEJ-HWOWSKLDSA-N 2 1 295.471 2.001 20 0 CEADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100829628 814196032 /nfs/dbraw/zinc/19/60/32/814196032.db2.gz DJYFBLZKEPZKIA-VOTSOKGWSA-N 2 1 295.471 2.169 20 0 CEADMP CCCCC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100831467 814196221 /nfs/dbraw/zinc/19/62/21/814196221.db2.gz XHPBSWPJQYSWTF-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP CC(C)[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001091267435 814203349 /nfs/dbraw/zinc/20/33/49/814203349.db2.gz KXPYCPFMZZMZKQ-GPANFISMSA-N 2 1 295.471 2.142 20 0 CEADMP CC1(C)CCC[C@H]([N@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)C1 ZINC001246622773 814221525 /nfs/dbraw/zinc/22/15/25/814221525.db2.gz RYQSXDVYLRSYRP-GOEBONIOSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]1C[C@@H]([N@H+]2CCO[C@H]3C[NH2+]CC[C@@H]32)CC(C)(C)C1 ZINC001246666809 814249840 /nfs/dbraw/zinc/24/98/40/814249840.db2.gz RUXFTNJWRBEWPZ-XGUBFFRZSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246682791 814255596 /nfs/dbraw/zinc/25/55/96/814255596.db2.gz WPSVJPKLJLBRGN-ZSHCYNCHSA-N 3 1 267.461 2.227 20 0 CEADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(C)C ZINC001146333089 814274313 /nfs/dbraw/zinc/27/43/13/814274313.db2.gz MAGZFPJWVJJTJR-UONOGXRCSA-N 2 1 294.443 2.111 20 0 CEADMP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146601150 814299047 /nfs/dbraw/zinc/29/90/47/814299047.db2.gz KNHISGRSAVDHLH-CABCVRRESA-N 2 1 285.476 2.390 20 0 CEADMP C[N@@H+](Cc1cc(F)cc(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000234328625 814414071 /nfs/dbraw/zinc/41/40/71/814414071.db2.gz SIHUFHCXWGHQHD-LLVKDONJSA-N 2 1 254.324 2.396 20 0 CEADMP C[N@H+](Cc1cc(F)cc(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000234328625 814414078 /nfs/dbraw/zinc/41/40/78/814414078.db2.gz SIHUFHCXWGHQHD-LLVKDONJSA-N 2 1 254.324 2.396 20 0 CEADMP CCCC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001147466323 814446172 /nfs/dbraw/zinc/44/61/72/814446172.db2.gz IUNCFGJPRDOZTR-MRXNPFEDSA-N 2 1 291.439 2.185 20 0 CEADMP C[C@@H]1C[N@H+](C2CC[NH+](C(C)(C)C)CC2)CCC[C@H]1O ZINC001256570108 814472307 /nfs/dbraw/zinc/47/23/07/814472307.db2.gz YCYOOQRZMAYPTE-UKRRQHHQSA-N 2 1 268.445 2.342 20 0 CEADMP CCCCC[C@@H](CCC)[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246993220 814509563 /nfs/dbraw/zinc/50/95/63/814509563.db2.gz YXUABPSVNXDNBY-KGLIPLIRSA-N 2 1 254.418 2.395 20 0 CEADMP CCCCC[C@@H](CCC)[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246993220 814509570 /nfs/dbraw/zinc/50/95/70/814509570.db2.gz YXUABPSVNXDNBY-KGLIPLIRSA-N 2 1 254.418 2.395 20 0 CEADMP CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755865 814519928 /nfs/dbraw/zinc/51/99/28/814519928.db2.gz QYKMHPPNNVFGHN-HZPDHXFCSA-N 2 1 297.487 2.057 20 0 CEADMP CC(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103755865 814519934 /nfs/dbraw/zinc/51/99/34/814519934.db2.gz QYKMHPPNNVFGHN-HZPDHXFCSA-N 2 1 297.487 2.057 20 0 CEADMP CC(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103755865 814519940 /nfs/dbraw/zinc/51/99/40/814519940.db2.gz QYKMHPPNNVFGHN-HZPDHXFCSA-N 2 1 297.487 2.057 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC)C2 ZINC001148458695 814563729 /nfs/dbraw/zinc/56/37/29/814563729.db2.gz SWRMBOXGZORASN-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC)C2 ZINC001148458695 814563733 /nfs/dbraw/zinc/56/37/33/814563733.db2.gz SWRMBOXGZORASN-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC)C2 ZINC001148458695 814563739 /nfs/dbraw/zinc/56/37/39/814563739.db2.gz SWRMBOXGZORASN-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CCCC(C)(C)C ZINC001148573609 814590240 /nfs/dbraw/zinc/59/02/40/814590240.db2.gz WJOFRHHIGTUVIN-UHFFFAOYSA-N 2 1 285.476 2.250 20 0 CEADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111909687 814632332 /nfs/dbraw/zinc/63/23/32/814632332.db2.gz JJJUOZPCAOCFGU-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1ccc(-c2noc([C@H]([NH3+])CCC[NH3+])n2)cc1Cl ZINC001247507669 814684842 /nfs/dbraw/zinc/68/48/42/814684842.db2.gz MNRUKLDLPBVGLL-LLVKDONJSA-N 2 1 280.759 2.437 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2C[C@H](CO)C[C@H](F)C2)CC1 ZINC001173110061 815582359 /nfs/dbraw/zinc/58/23/59/815582359.db2.gz NUIXBEDIZCGQCQ-QVOMUQBLSA-N 2 1 286.435 2.292 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173124557 815588266 /nfs/dbraw/zinc/58/82/66/815588266.db2.gz QWXVUTHWWOBLED-NEPJUHHUSA-N 2 1 265.426 2.074 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCC(C)(C)CO1 ZINC000713596743 814867592 /nfs/dbraw/zinc/86/75/92/814867592.db2.gz NGGXDFCGTOKJTM-UONOGXRCSA-N 2 1 256.434 2.497 20 0 CEADMP CC1(C)CCC[C@@H](C[N@H+]2CCC[C@H](CC[NH3+])C2)O1 ZINC000714380728 814893728 /nfs/dbraw/zinc/89/37/28/814893728.db2.gz SFIBAZXRNWWVIK-KGLIPLIRSA-N 2 1 254.418 2.395 20 0 CEADMP CCCc1noc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)n1 ZINC000714482576 814908017 /nfs/dbraw/zinc/90/80/17/814908017.db2.gz WUOIXXMTGQKVQL-UHFFFAOYSA-N 2 1 280.416 2.219 20 0 CEADMP CCc1ccc(C[C@@H](C)n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1 ZINC001173245600 815638833 /nfs/dbraw/zinc/63/88/33/815638833.db2.gz SXLAJXIDNOCWRH-CZUORRHYSA-N 2 1 287.407 2.111 20 0 CEADMP CC[N@H+]1CC[C@H](N2C(C)(C)CC([NH3+])CC2(C)C)C1 ZINC001173351924 815686838 /nfs/dbraw/zinc/68/68/38/815686838.db2.gz GFCBVNMMPMQOQR-ZDUSSCGKSA-N 2 1 253.434 2.061 20 0 CEADMP CCN1CC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173353664 815694876 /nfs/dbraw/zinc/69/48/76/815694876.db2.gz GJFKBJACEXAZMU-BPUTZDHNSA-N 2 1 265.445 2.205 20 0 CEADMP CC[N@H+]1CC[C@H](N2CCC([NH3+])(c3ccccc3F)CC2)C1 ZINC001173355284 815696165 /nfs/dbraw/zinc/69/61/65/815696165.db2.gz ZOHFWLRUIYWMCO-AWEZNQCLSA-N 2 1 291.414 2.170 20 0 CEADMP CC[N@H+]1CC[C@H](N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173365803 815705518 /nfs/dbraw/zinc/70/55/18/815705518.db2.gz OTPQUCVIEQHOIC-FHWLQOOXSA-N 2 1 299.462 2.144 20 0 CEADMP CCN1CC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173365803 815705527 /nfs/dbraw/zinc/70/55/27/815705527.db2.gz OTPQUCVIEQHOIC-FHWLQOOXSA-N 2 1 299.462 2.144 20 0 CEADMP COC(=O)CCCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001173437287 815714452 /nfs/dbraw/zinc/71/44/52/815714452.db2.gz KYPUDTOWXCWASB-HUUCEWRRSA-N 2 1 284.444 2.430 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C3Cc4cc(F)c(F)cc4C3)C[C@@H]2C1 ZINC001173478405 815726093 /nfs/dbraw/zinc/72/60/93/815726093.db2.gz LGLUKMLCKVHINX-RISCZKNCSA-N 2 1 292.373 2.316 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C3Cc4cc(F)c(F)cc4C3)C[C@@H]2C1 ZINC001173478405 815726099 /nfs/dbraw/zinc/72/60/99/815726099.db2.gz LGLUKMLCKVHINX-RISCZKNCSA-N 2 1 292.373 2.316 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C3Cc4cc(F)c(F)cc4C3)C[C@@H]2C1 ZINC001173478405 815726107 /nfs/dbraw/zinc/72/61/07/815726107.db2.gz LGLUKMLCKVHINX-RISCZKNCSA-N 2 1 292.373 2.316 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001173449973 815733581 /nfs/dbraw/zinc/73/35/81/815733581.db2.gz XALIBSSPUBTFEN-IHRRRGAJSA-N 2 1 270.417 2.038 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001173449973 815733585 /nfs/dbraw/zinc/73/35/85/815733585.db2.gz XALIBSSPUBTFEN-IHRRRGAJSA-N 2 1 270.417 2.038 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@](C)(CO)C2)cc1 ZINC001138544780 815823157 /nfs/dbraw/zinc/82/31/57/815823157.db2.gz OVBRNRPKOVTZBR-QGZVFWFLSA-N 2 1 285.391 2.385 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@](C)(CO)C2)cc1 ZINC001138544780 815823166 /nfs/dbraw/zinc/82/31/66/815823166.db2.gz OVBRNRPKOVTZBR-QGZVFWFLSA-N 2 1 285.391 2.385 20 0 CEADMP CNc1ncccc1CN1CC[C@@H](Oc2ccncc2C)C1 ZINC001138697138 815871356 /nfs/dbraw/zinc/87/13/56/815871356.db2.gz RLEOYZFRUOZHEX-OAHLLOKOSA-N 2 1 298.390 2.480 20 0 CEADMP C[NH+]1CCC2(C[NH+](Cc3ccnc(Cl)c3)C2)CC1 ZINC001138819802 815909859 /nfs/dbraw/zinc/90/98/59/815909859.db2.gz MEIFUIXGXJWTRQ-UHFFFAOYSA-N 2 1 265.788 2.263 20 0 CEADMP Cc1cnc(Cl)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001139588141 816057456 /nfs/dbraw/zinc/05/74/56/816057456.db2.gz JKZFMPMOVUGUCL-OCCSQVGLSA-N 2 1 279.815 2.427 20 0 CEADMP Cc1cnc(Cl)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001139588141 816057461 /nfs/dbraw/zinc/05/74/61/816057461.db2.gz JKZFMPMOVUGUCL-OCCSQVGLSA-N 2 1 279.815 2.427 20 0 CEADMP Cc1cnc(Cl)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001139588141 816057467 /nfs/dbraw/zinc/05/74/67/816057467.db2.gz JKZFMPMOVUGUCL-OCCSQVGLSA-N 2 1 279.815 2.427 20 0 CEADMP Cc1cnc(Cl)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001139588141 816057472 /nfs/dbraw/zinc/05/74/72/816057472.db2.gz JKZFMPMOVUGUCL-OCCSQVGLSA-N 2 1 279.815 2.427 20 0 CEADMP Cn1ncc2ccc(C[N@H+](C)CCC[NH+]3CCCC3)cc21 ZINC001139908930 816138500 /nfs/dbraw/zinc/13/85/00/816138500.db2.gz PHLVMRMNZGPPKP-UHFFFAOYSA-N 2 1 286.423 2.491 20 0 CEADMP Cn1ncc2ccc(C[N@@H+](C)CCC[NH+]3CCCC3)cc21 ZINC001139908930 816138503 /nfs/dbraw/zinc/13/85/03/816138503.db2.gz PHLVMRMNZGPPKP-UHFFFAOYSA-N 2 1 286.423 2.491 20 0 CEADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175264325 816164345 /nfs/dbraw/zinc/16/43/45/816164345.db2.gz SSXSMTMTJZCEPR-CVEARBPZSA-N 2 1 297.487 2.393 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)ccc21 ZINC001140508705 816273884 /nfs/dbraw/zinc/27/38/84/816273884.db2.gz OVFXQNOZFFKAEZ-UHFFFAOYSA-N 2 1 298.434 2.491 20 0 CEADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176024732 816327248 /nfs/dbraw/zinc/32/72/48/816327248.db2.gz QYZSFJBMARZYAU-OAHLLOKOSA-N 2 1 285.476 2.393 20 0 CEADMP Cn1cnc2ccc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)cc21 ZINC001140738967 816336067 /nfs/dbraw/zinc/33/60/67/816336067.db2.gz WJXJVGMVVBZTRC-UHFFFAOYSA-N 2 1 298.434 2.491 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2cnc3cc[nH]cc2-3)CC1 ZINC001140803228 816361867 /nfs/dbraw/zinc/36/18/67/816361867.db2.gz MANVYGRPLNQMHS-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP CN1C(=O)CC[C@@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)CC[C@@H]21 ZINC001140806805 816365711 /nfs/dbraw/zinc/36/57/11/816365711.db2.gz SLFHGJKNBDLGHR-WBMJQRKESA-N 2 1 298.390 2.006 20 0 CEADMP CN1C(=O)CC[C@@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)CC[C@@H]21 ZINC001140806805 816365717 /nfs/dbraw/zinc/36/57/17/816365717.db2.gz SLFHGJKNBDLGHR-WBMJQRKESA-N 2 1 298.390 2.006 20 0 CEADMP O=C1CCC[C@H]2C[N@@H+](Cc3c[nH]c4ccncc34)C[C@H]12 ZINC001140806298 816367004 /nfs/dbraw/zinc/36/70/04/816367004.db2.gz FNTRCWYEEXIQDI-FZMZJTMJSA-N 2 1 269.348 2.364 20 0 CEADMP O=C1CCC[C@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]12 ZINC001140806298 816367022 /nfs/dbraw/zinc/36/70/22/816367022.db2.gz FNTRCWYEEXIQDI-FZMZJTMJSA-N 2 1 269.348 2.364 20 0 CEADMP O=C1CCC[C@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]12 ZINC001140806298 816367028 /nfs/dbraw/zinc/36/70/28/816367028.db2.gz FNTRCWYEEXIQDI-FZMZJTMJSA-N 2 1 269.348 2.364 20 0 CEADMP COc1[nH+]ccc(N)c1Nc1ccc(C[NH+](C)C)cc1 ZINC001176291475 816378381 /nfs/dbraw/zinc/37/83/81/816378381.db2.gz BCFIVUVBVUTYSO-UHFFFAOYSA-N 2 1 272.352 2.478 20 0 CEADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC1 ZINC001176753807 816473500 /nfs/dbraw/zinc/47/35/00/816473500.db2.gz NLZFCBYFEHVYCD-AWEZNQCLSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001176971793 816501398 /nfs/dbraw/zinc/50/13/98/816501398.db2.gz IDDCYNSKDTVWKR-UHFFFAOYSA-N 2 1 297.487 2.249 20 0 CEADMP CN(C)c1cccc(C[N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)c1 ZINC001141270488 816517441 /nfs/dbraw/zinc/51/74/41/816517441.db2.gz YTUHZTNNBGKHDU-DOTOQJQBSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1cccc(CN2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c1 ZINC001141270488 816517443 /nfs/dbraw/zinc/51/74/43/816517443.db2.gz YTUHZTNNBGKHDU-DOTOQJQBSA-N 2 1 273.424 2.279 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1cccc2cnccc21 ZINC001177244989 816537179 /nfs/dbraw/zinc/53/71/79/816537179.db2.gz KBQXEHMVEUHECV-UHFFFAOYSA-N 2 1 287.407 2.293 20 0 CEADMP Cc1ccc(N2CCC[C@H](OCCC[NH+](C)C)C2)[nH+]c1 ZINC001206297741 816541097 /nfs/dbraw/zinc/54/10/97/816541097.db2.gz XURIJWHTAQMLRG-HNNXBMFYSA-N 2 1 277.412 2.327 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)s1 ZINC001206304166 816565694 /nfs/dbraw/zinc/56/56/94/816565694.db2.gz GQINTHKXIZFHDF-ZDUSSCGKSA-N 2 1 253.415 2.402 20 0 CEADMP COC(=O)c1ccccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304722 816568542 /nfs/dbraw/zinc/56/85/42/816568542.db2.gz OOFGOPGXZAOKNP-QGZVFWFLSA-N 2 1 290.407 2.424 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(O)cc2F)CC1 ZINC001206310918 816654311 /nfs/dbraw/zinc/65/43/11/816654311.db2.gz FIJOEIGEFFUHEG-OAHLLOKOSA-N 2 1 266.360 2.482 20 0 CEADMP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178361220 816732070 /nfs/dbraw/zinc/73/20/70/816732070.db2.gz VXRKPLRXQFAUKT-YHGKZGMESA-N 2 1 293.455 2.016 20 0 CEADMP CCOCC[N@@H+](CC)CCCCn1ccnc1C ZINC000121116834 365525048 /nfs/dbraw/zinc/52/50/48/365525048.db2.gz ZMAHBDSCSVKGRZ-UHFFFAOYSA-N 2 1 253.390 2.330 20 0 CEADMP CCOCC[N@H+](CC)CCCCn1cc[nH+]c1C ZINC000121116834 365525054 /nfs/dbraw/zinc/52/50/54/365525054.db2.gz ZMAHBDSCSVKGRZ-UHFFFAOYSA-N 2 1 253.390 2.330 20 0 CEADMP CCOCC[N@@H+](CC)CCCCn1cc[nH+]c1C ZINC000121116834 365525058 /nfs/dbraw/zinc/52/50/58/365525058.db2.gz ZMAHBDSCSVKGRZ-UHFFFAOYSA-N 2 1 253.390 2.330 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(COC)CC2)C1 ZINC000449092043 282097352 /nfs/dbraw/zinc/09/73/52/282097352.db2.gz SLZNNVGGKLPAQG-SLTAFYQDSA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cnn(C)c1 ZINC000121419189 365566004 /nfs/dbraw/zinc/56/60/04/365566004.db2.gz RPVOOYUNYDXRSA-DOMZBBRYSA-N 2 1 275.400 2.302 20 0 CEADMP Cc1ccc2nc(CN[C@H]3CC[N@H+](C)C[C@H]3C)cn2c1 ZINC000336527169 365598906 /nfs/dbraw/zinc/59/89/06/365598906.db2.gz FAHDCDNACZCSSF-HIFRSBDPSA-N 2 1 272.396 2.073 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000567638782 299069507 /nfs/dbraw/zinc/06/95/07/299069507.db2.gz CUWDVBZDLUIFAT-RISCZKNCSA-N 2 1 275.396 2.205 20 0 CEADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CCC1 ZINC000449133749 282113589 /nfs/dbraw/zinc/11/35/89/282113589.db2.gz ZQMQIYJQGYLYHK-KRWDZBQOSA-N 2 1 281.488 2.428 20 0 CEADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000567654300 299071175 /nfs/dbraw/zinc/07/11/75/299071175.db2.gz VHFTXSFRCZOVJF-HUUCEWRRSA-N 2 1 260.381 2.400 20 0 CEADMP CC(C)CN(C(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000123658774 365640272 /nfs/dbraw/zinc/64/02/72/365640272.db2.gz FTCYDWLQXKSUEQ-HOTGVXAUSA-N 2 1 297.487 2.294 20 0 CEADMP Cc1nc(C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)no1 ZINC000125114303 187169836 /nfs/dbraw/zinc/16/98/36/187169836.db2.gz BJMZEYJCIBKIJI-CQSZACIVSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc(C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC000125114303 187169837 /nfs/dbraw/zinc/16/98/37/187169837.db2.gz BJMZEYJCIBKIJI-CQSZACIVSA-N 2 1 278.400 2.042 20 0 CEADMP COC(=O)CCC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000125172998 365668391 /nfs/dbraw/zinc/66/83/91/365668391.db2.gz KBQDBFVPGOBAMI-HNNXBMFYSA-N 2 1 282.428 2.136 20 0 CEADMP Cc1[nH+]ccn1CCCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000125199270 187174105 /nfs/dbraw/zinc/17/41/05/187174105.db2.gz YFENPJACNSGTQN-MRXNPFEDSA-N 2 1 276.428 2.142 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337763408 214251242 /nfs/dbraw/zinc/25/12/42/214251242.db2.gz QPWHAWRLPUTGLT-HIFRSBDPSA-N 2 1 254.418 2.110 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000567681180 299074803 /nfs/dbraw/zinc/07/48/03/299074803.db2.gz LTWZEKMSBAZQSP-MSOLQXFVSA-N 2 1 290.451 2.302 20 0 CEADMP CC1CC[NH+](CCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000036908291 361870151 /nfs/dbraw/zinc/87/01/51/361870151.db2.gz GCYBOWFTCWZFSA-GVDBMIGSSA-N 2 1 281.488 2.427 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000036908291 361870153 /nfs/dbraw/zinc/87/01/53/361870153.db2.gz GCYBOWFTCWZFSA-GVDBMIGSSA-N 3 1 281.488 2.427 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000036908291 361870154 /nfs/dbraw/zinc/87/01/54/361870154.db2.gz GCYBOWFTCWZFSA-GVDBMIGSSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2(CO)CC2)CC1 ZINC000449219559 282146470 /nfs/dbraw/zinc/14/64/70/282146470.db2.gz DMULYBHLXZMMQQ-HNNXBMFYSA-N 2 1 288.435 2.197 20 0 CEADMP CC(=O)N1CCC([NH2+]CCC[N@H+](C)C2CCCCC2)CC1 ZINC000037860322 361956717 /nfs/dbraw/zinc/95/67/17/361956717.db2.gz CRBNRXVPTKNGND-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP CCc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000037924664 361964480 /nfs/dbraw/zinc/96/44/80/361964480.db2.gz WYVUYKPJOOBVEP-NSHDSACASA-N 2 1 265.426 2.279 20 0 CEADMP CCc1ncc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000037924664 361964484 /nfs/dbraw/zinc/96/44/84/361964484.db2.gz WYVUYKPJOOBVEP-NSHDSACASA-N 2 1 265.426 2.279 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc2c(C)cccn12 ZINC000337948164 214327564 /nfs/dbraw/zinc/32/75/64/214327564.db2.gz LNJNCJROSQMHQH-UHFFFAOYSA-N 2 1 283.379 2.328 20 0 CEADMP COCc1ccc(C[NH2+]CCCn2cc[nH+]c2C)o1 ZINC000337949037 214327617 /nfs/dbraw/zinc/32/76/17/214327617.db2.gz ZVUSBSZNVVKKRH-UHFFFAOYSA-N 2 1 263.341 2.111 20 0 CEADMP C[N@@H+](CCc1nccs1)CC[C@H]1CCCC[NH+]1C ZINC000337997739 214351762 /nfs/dbraw/zinc/35/17/62/214351762.db2.gz NVLJIRKDEDZAER-CYBMUJFWSA-N 2 1 267.442 2.492 20 0 CEADMP C[N@H+](CCc1nccs1)CC[C@H]1CCCC[NH+]1C ZINC000337997739 214351765 /nfs/dbraw/zinc/35/17/65/214351765.db2.gz NVLJIRKDEDZAER-CYBMUJFWSA-N 2 1 267.442 2.492 20 0 CEADMP C[NH+](CCc1nccs1)CC[C@H]1CCCC[N@@H+]1C ZINC000337997739 214351766 /nfs/dbraw/zinc/35/17/66/214351766.db2.gz NVLJIRKDEDZAER-CYBMUJFWSA-N 2 1 267.442 2.492 20 0 CEADMP C[NH+](CCc1nccs1)CC[C@H]1CCCC[N@H+]1C ZINC000337997739 214351768 /nfs/dbraw/zinc/35/17/68/214351768.db2.gz NVLJIRKDEDZAER-CYBMUJFWSA-N 2 1 267.442 2.492 20 0 CEADMP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCCn2cc[nH+]c2C)C1(C)C ZINC000338013342 214361223 /nfs/dbraw/zinc/36/12/23/214361223.db2.gz SYTAAMKQTYBIPB-IACUBPJLSA-N 2 1 265.401 2.231 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000125610447 187193077 /nfs/dbraw/zinc/19/30/77/187193077.db2.gz UPBPPVNPESKHTP-LLVKDONJSA-N 2 1 254.324 2.396 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000125610447 187193078 /nfs/dbraw/zinc/19/30/78/187193078.db2.gz UPBPPVNPESKHTP-LLVKDONJSA-N 2 1 254.324 2.396 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621645446 349650010 /nfs/dbraw/zinc/65/00/10/349650010.db2.gz GVMZMHQMVYOUIV-XHSDSOJGSA-N 2 1 295.471 2.145 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000153763479 539166138 /nfs/dbraw/zinc/16/61/38/539166138.db2.gz SUOJYRVIWBURSB-MRXNPFEDSA-N 2 1 280.387 2.371 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000125770184 187199797 /nfs/dbraw/zinc/19/97/97/187199797.db2.gz NBGDATQRKOAMTR-RRFJBIMHSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1nccnc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000621719797 349676500 /nfs/dbraw/zinc/67/65/00/349676500.db2.gz WSSXSKZXRBPYDU-WMLDXEAASA-N 2 1 286.423 2.234 20 0 CEADMP CO[C@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000070327968 539173545 /nfs/dbraw/zinc/17/35/45/539173545.db2.gz OHEBXMZVGQTOKT-ZFWWWQNUSA-N 2 1 254.418 2.408 20 0 CEADMP CO[C@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000070327968 539173546 /nfs/dbraw/zinc/17/35/46/539173546.db2.gz OHEBXMZVGQTOKT-ZFWWWQNUSA-N 2 1 254.418 2.408 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000070327966 539173618 /nfs/dbraw/zinc/17/36/18/539173618.db2.gz OHEBXMZVGQTOKT-HIFRSBDPSA-N 2 1 254.418 2.408 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000070327966 539173619 /nfs/dbraw/zinc/17/36/19/539173619.db2.gz OHEBXMZVGQTOKT-HIFRSBDPSA-N 2 1 254.418 2.408 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000449319507 282186090 /nfs/dbraw/zinc/18/60/90/282186090.db2.gz KELIYCJUHSKQDM-RBSFLKMASA-N 2 1 297.487 2.390 20 0 CEADMP CC[NH2+]CCCN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000567723992 299082004 /nfs/dbraw/zinc/08/20/04/299082004.db2.gz MYMPHUMYGOEVFX-DOTOQJQBSA-N 2 1 275.440 2.411 20 0 CEADMP CC(=O)N1CC[C@@H]([NH2+]CCC[NH+](C)C)c2ccccc21 ZINC000621749238 349692618 /nfs/dbraw/zinc/69/26/18/349692618.db2.gz VCLQYWYDAYXING-OAHLLOKOSA-N 2 1 275.396 2.026 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000621776887 349699464 /nfs/dbraw/zinc/69/94/64/349699464.db2.gz ZIRRBGCIQWGEIC-INIZCTEOSA-N 2 1 289.423 2.302 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCCOc1ccccc1)C2 ZINC000621779318 349700425 /nfs/dbraw/zinc/70/04/25/349700425.db2.gz CQOKVLJFJFPYER-GOEBONIOSA-N 2 1 260.381 2.269 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCCOc1ccccc1)C2 ZINC000621779318 349700426 /nfs/dbraw/zinc/70/04/26/349700426.db2.gz CQOKVLJFJFPYER-GOEBONIOSA-N 2 1 260.381 2.269 20 0 CEADMP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000621776145 349698090 /nfs/dbraw/zinc/69/80/90/349698090.db2.gz CYYFGKHCERRAHZ-GJZGRUSLSA-N 2 1 275.396 2.054 20 0 CEADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000621776145 349698093 /nfs/dbraw/zinc/69/80/93/349698093.db2.gz CYYFGKHCERRAHZ-GJZGRUSLSA-N 2 1 275.396 2.054 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449347661 282195448 /nfs/dbraw/zinc/19/54/48/282195448.db2.gz DCGYAAMVSKPRAK-OAGGEKHMSA-N 2 1 295.471 2.275 20 0 CEADMP COC[C@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC000126068939 187214789 /nfs/dbraw/zinc/21/47/89/187214789.db2.gz CAGFPURPNFILBW-LSDHHAIUSA-N 2 1 256.434 2.367 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000401881273 539254898 /nfs/dbraw/zinc/25/48/98/539254898.db2.gz QLKCXSHJMAEQCG-MRXNPFEDSA-N 2 1 271.364 2.335 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](CCO)C1CCCCC1 ZINC000336797951 282204806 /nfs/dbraw/zinc/20/48/06/282204806.db2.gz CCSQJQARGIHJMD-UHFFFAOYSA-N 2 1 265.401 2.209 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)C1CCCCC1 ZINC000336797951 282204807 /nfs/dbraw/zinc/20/48/07/282204807.db2.gz CCSQJQARGIHJMD-UHFFFAOYSA-N 2 1 265.401 2.209 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC2=CCCOC2)C1 ZINC000127058784 365731630 /nfs/dbraw/zinc/73/16/30/365731630.db2.gz ZHGAREJCOLBKJJ-AWEZNQCLSA-N 2 1 252.402 2.043 20 0 CEADMP CC[C@H](COC)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126481254 187242846 /nfs/dbraw/zinc/24/28/46/187242846.db2.gz ZROVGISSWJUVLP-CQSZACIVSA-N 2 1 274.368 2.090 20 0 CEADMP COCC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000446776994 539298844 /nfs/dbraw/zinc/29/88/44/539298844.db2.gz MTMIKJALTRMJRK-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP COCC[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000446776994 539298846 /nfs/dbraw/zinc/29/88/46/539298846.db2.gz MTMIKJALTRMJRK-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP COCC[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000446776994 539298848 /nfs/dbraw/zinc/29/88/48/539298848.db2.gz MTMIKJALTRMJRK-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)C1CC1 ZINC000337363744 282248048 /nfs/dbraw/zinc/24/80/48/282248048.db2.gz LVHCJYLPSZQFHP-HUUCEWRRSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2ccnn2CC)C1 ZINC000351221212 219085526 /nfs/dbraw/zinc/08/55/26/219085526.db2.gz FUSBPABYOVPEFN-OAHLLOKOSA-N 2 1 278.444 2.109 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccnn2CC)C1 ZINC000351221212 219085529 /nfs/dbraw/zinc/08/55/29/219085529.db2.gz FUSBPABYOVPEFN-OAHLLOKOSA-N 2 1 278.444 2.109 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2ccnn2CC)C1 ZINC000351221212 219085530 /nfs/dbraw/zinc/08/55/30/219085530.db2.gz FUSBPABYOVPEFN-OAHLLOKOSA-N 2 1 278.444 2.109 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccnn2CC)C1 ZINC000351221212 219085533 /nfs/dbraw/zinc/08/55/33/219085533.db2.gz FUSBPABYOVPEFN-OAHLLOKOSA-N 2 1 278.444 2.109 20 0 CEADMP CC(C)C[NH2+]CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000047892309 362230124 /nfs/dbraw/zinc/23/01/24/362230124.db2.gz APOMDFYKVULALM-QGZVFWFLSA-N 2 1 275.440 2.221 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044535237 343473753 /nfs/dbraw/zinc/47/37/53/343473753.db2.gz INTPRIBFMSZCGF-OAHLLOKOSA-N 2 1 275.396 2.076 20 0 CEADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccc1O ZINC000044534730 343474065 /nfs/dbraw/zinc/47/40/65/343474065.db2.gz HDAURUNLRXVMSF-AWEZNQCLSA-N 2 1 278.396 2.222 20 0 CEADMP Oc1ccc2c(c1)C[N@H+](CCC1CC[NH2+]CC1)CC2 ZINC000336634278 365750594 /nfs/dbraw/zinc/75/05/94/365750594.db2.gz ZPASAWUBBRFSIN-UHFFFAOYSA-N 2 1 260.381 2.140 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000336633138 365747082 /nfs/dbraw/zinc/74/70/82/365747082.db2.gz IZWYVKIDOCZKMU-GASCZTMLSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000336633138 365747084 /nfs/dbraw/zinc/74/70/84/365747084.db2.gz IZWYVKIDOCZKMU-GASCZTMLSA-N 2 1 295.471 2.192 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000351273727 219089191 /nfs/dbraw/zinc/08/91/91/219089191.db2.gz XKLZHHKFHXJBRC-DLBZAZTESA-N 2 1 279.472 2.279 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC2CC2)C[C@H]1C ZINC000336712528 365775796 /nfs/dbraw/zinc/77/57/96/365775796.db2.gz OPVUYYIYQAXGKE-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC2CC2)C[C@H]1C ZINC000336712528 365775804 /nfs/dbraw/zinc/77/58/04/365775804.db2.gz OPVUYYIYQAXGKE-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC2CC2)C[C@H]1C ZINC000336712528 365775813 /nfs/dbraw/zinc/77/58/13/365775813.db2.gz OPVUYYIYQAXGKE-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCc2cc(C)ccc2F)CC1 ZINC000449551632 282280416 /nfs/dbraw/zinc/28/04/16/282280416.db2.gz GOVYPCHWMFCCII-UHFFFAOYSA-N 2 1 294.414 2.377 20 0 CEADMP CC[C@H]1C[N@H+](CCCn2cc[nH+]c2C)CCS1 ZINC000336720123 365785343 /nfs/dbraw/zinc/78/53/43/365785343.db2.gz YCBXRZXEDXHMBC-ZDUSSCGKSA-N 2 1 253.415 2.409 20 0 CEADMP CC[C@H]1C[N@@H+](CCCn2cc[nH+]c2C)CCS1 ZINC000336720123 365785346 /nfs/dbraw/zinc/78/53/46/365785346.db2.gz YCBXRZXEDXHMBC-ZDUSSCGKSA-N 2 1 253.415 2.409 20 0 CEADMP Cc1cc(C)n(CCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000128409324 365788197 /nfs/dbraw/zinc/78/81/97/365788197.db2.gz WBSCJTICRSGZJA-DUVNUKRYSA-N 2 1 278.444 2.208 20 0 CEADMP COCCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000336726594 365788477 /nfs/dbraw/zinc/78/84/77/365788477.db2.gz LFTIHJGSLTZTNZ-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP COCCCOC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351471508 219098586 /nfs/dbraw/zinc/09/85/86/219098586.db2.gz JYVPXMXBZVVWCG-MRXNPFEDSA-N 2 1 298.471 2.378 20 0 CEADMP COc1ccc(OCCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351478951 219101676 /nfs/dbraw/zinc/10/16/76/219101676.db2.gz QCOGEYFCWYGRTR-RRQGHBQHSA-N 2 1 290.407 2.133 20 0 CEADMP CC[NH+](CC)CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000068085332 343754565 /nfs/dbraw/zinc/75/45/65/343754565.db2.gz XBXXKAORRMGOPL-IYBDPMFKSA-N 2 1 297.487 2.203 20 0 CEADMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)c(OC)c1 ZINC000069753954 343790966 /nfs/dbraw/zinc/79/09/66/343790966.db2.gz URLMZKPNKSDFQM-UHFFFAOYSA-N 2 1 289.379 2.389 20 0 CEADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]2CCO[C@@H]21 ZINC000128096301 187350813 /nfs/dbraw/zinc/35/08/13/187350813.db2.gz NYHLEMWAMJSIFK-RYPNDVFKSA-N 2 1 264.413 2.016 20 0 CEADMP CC(C)[NH+](CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)C(C)C ZINC000081117560 344039979 /nfs/dbraw/zinc/03/99/79/344039979.db2.gz YUXBHFVCPJJFMX-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109639 343880837 /nfs/dbraw/zinc/88/08/37/343880837.db2.gz IFQPHFKROBIZPI-IAGOWNOFSA-N 2 1 276.424 2.211 20 0 CEADMP CC[C@@H](O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109639 343880839 /nfs/dbraw/zinc/88/08/39/343880839.db2.gz IFQPHFKROBIZPI-IAGOWNOFSA-N 2 1 276.424 2.211 20 0 CEADMP CC[C@@H](O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109639 343880842 /nfs/dbraw/zinc/88/08/42/343880842.db2.gz IFQPHFKROBIZPI-IAGOWNOFSA-N 2 1 276.424 2.211 20 0 CEADMP Cn1cc(CCC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cn1 ZINC000075860954 343870167 /nfs/dbraw/zinc/87/01/67/343870167.db2.gz QGSJNIPFROTKCB-MRXNPFEDSA-N 2 1 278.444 2.159 20 0 CEADMP Cn1cc(CCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000075860954 343870170 /nfs/dbraw/zinc/87/01/70/343870170.db2.gz QGSJNIPFROTKCB-MRXNPFEDSA-N 2 1 278.444 2.159 20 0 CEADMP Cn1cc(CCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000075860954 343870171 /nfs/dbraw/zinc/87/01/71/343870171.db2.gz QGSJNIPFROTKCB-MRXNPFEDSA-N 2 1 278.444 2.159 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC[NH+](C)CC1 ZINC000088670569 344112224 /nfs/dbraw/zinc/11/22/24/344112224.db2.gz CIHWMYFLMSZDIC-YJBOKZPZSA-N 2 1 287.451 2.191 20 0 CEADMP CCc1ncc(C[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000084016046 344080791 /nfs/dbraw/zinc/08/07/91/344080791.db2.gz IGFKQYVNAMWJIW-UHFFFAOYSA-N 2 1 264.398 2.390 20 0 CEADMP COc1ccc(COCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000091741204 344171799 /nfs/dbraw/zinc/17/17/99/344171799.db2.gz HBBOEOXZGGYWKB-YOEHRIQHSA-N 2 1 292.423 2.142 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090809731 344143704 /nfs/dbraw/zinc/14/37/04/344143704.db2.gz WMHJIWIAUCDKPG-KFWWJZLASA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccnc1 ZINC000091306500 344161182 /nfs/dbraw/zinc/16/11/82/344161182.db2.gz PPJTWLCIVYVFCV-QGZVFWFLSA-N 2 1 291.439 2.215 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449685121 282330941 /nfs/dbraw/zinc/33/09/41/282330941.db2.gz RLPXFSOSMCCSPV-AWEZNQCLSA-N 2 1 292.427 2.045 20 0 CEADMP C[C@H](O)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000346849199 290082171 /nfs/dbraw/zinc/08/21/71/290082171.db2.gz RTXSTYUBGXCZDY-KBPBESRZSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000111824808 344271860 /nfs/dbraw/zinc/27/18/60/344271860.db2.gz FHVYDMFVNDMGJC-MRXNPFEDSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCOc1ccc(F)cc1 ZINC000124503023 344314683 /nfs/dbraw/zinc/31/46/83/344314683.db2.gz SUIMWXUBWTZOCT-TZMCWYRMSA-N 2 1 266.360 2.406 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000148615149 344414087 /nfs/dbraw/zinc/41/40/87/344414087.db2.gz HCAZECIMFFHUQP-AWEZNQCLSA-N 2 1 270.376 2.499 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCOCCc1ccccc1 ZINC000169170767 344481557 /nfs/dbraw/zinc/48/15/57/344481557.db2.gz XVNFJKIXSDNSCQ-INIZCTEOSA-N 2 1 262.397 2.059 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+]1CCCOCCc1ccccc1 ZINC000169170767 344481560 /nfs/dbraw/zinc/48/15/60/344481560.db2.gz XVNFJKIXSDNSCQ-INIZCTEOSA-N 2 1 262.397 2.059 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1F ZINC000234656162 344586106 /nfs/dbraw/zinc/58/61/06/344586106.db2.gz ZXRUASRWCMUYPI-NSHDSACASA-N 2 1 282.359 2.042 20 0 CEADMP CC[NH+](CC)[C@H](CNC(=[NH2+])NC1CC1)c1ccccc1 ZINC000052040989 362462258 /nfs/dbraw/zinc/46/22/58/362462258.db2.gz VALAEKXVXHYCGJ-OAHLLOKOSA-N 2 1 274.412 2.346 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]CCC[N@H+](C)C(C)C)[nH]1 ZINC000602510795 347061591 /nfs/dbraw/zinc/06/15/91/347061591.db2.gz OFNRVHFLGCGLAO-UHFFFAOYSA-N 2 1 281.400 2.011 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)[nH]1 ZINC000602510795 347061595 /nfs/dbraw/zinc/06/15/95/347061595.db2.gz OFNRVHFLGCGLAO-UHFFFAOYSA-N 2 1 281.400 2.011 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000250342340 344632611 /nfs/dbraw/zinc/63/26/11/344632611.db2.gz PYINTLCKJXBIIT-IIAWOOMASA-N 3 1 267.461 2.037 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000250342340 344632612 /nfs/dbraw/zinc/63/26/12/344632612.db2.gz PYINTLCKJXBIIT-IIAWOOMASA-N 2 1 267.461 2.037 20 0 CEADMP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000250641165 344633802 /nfs/dbraw/zinc/63/38/02/344633802.db2.gz DYNPMFZXXZASLS-IKGGRYGDSA-N 2 1 273.424 2.120 20 0 CEADMP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000250641165 344633804 /nfs/dbraw/zinc/63/38/04/344633804.db2.gz DYNPMFZXXZASLS-IKGGRYGDSA-N 2 1 273.424 2.120 20 0 CEADMP Cn1cc(C[N@H+](C)C2CC([NH3+])C2)c(-c2cccs2)n1 ZINC000414782470 530014398 /nfs/dbraw/zinc/01/43/98/530014398.db2.gz XOVYYVZZJPKGKB-UHFFFAOYSA-N 2 1 276.409 2.070 20 0 CEADMP Cn1cc(C[N@@H+](C)C2CC([NH3+])C2)c(-c2cccs2)n1 ZINC000414782470 530014399 /nfs/dbraw/zinc/01/43/99/530014399.db2.gz XOVYYVZZJPKGKB-UHFFFAOYSA-N 2 1 276.409 2.070 20 0 CEADMP COC(=O)c1csc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000602516568 347064772 /nfs/dbraw/zinc/06/47/72/347064772.db2.gz NNRMQYCQDCOXMK-STQMWFEESA-N 2 1 294.420 2.251 20 0 CEADMP COC(=O)c1csc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000602516568 347064774 /nfs/dbraw/zinc/06/47/74/347064774.db2.gz NNRMQYCQDCOXMK-STQMWFEESA-N 2 1 294.420 2.251 20 0 CEADMP CC1(C)CCC([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000399197552 344857144 /nfs/dbraw/zinc/85/71/44/344857144.db2.gz SKNIXGLYUNEEIR-UHFFFAOYSA-N 2 1 254.418 2.002 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])o1 ZINC000404438424 344879924 /nfs/dbraw/zinc/87/99/24/344879924.db2.gz SMLXGDSXVMTFFA-AAEUAGOBSA-N 2 1 280.368 2.016 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])o1 ZINC000404438424 344879928 /nfs/dbraw/zinc/87/99/28/344879928.db2.gz SMLXGDSXVMTFFA-AAEUAGOBSA-N 2 1 280.368 2.016 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404375643 344880017 /nfs/dbraw/zinc/88/00/17/344880017.db2.gz KSPDWABLGAHLPV-BBRMVZONSA-N 2 1 290.407 2.423 20 0 CEADMP Cc1noc([C@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000351616224 219148780 /nfs/dbraw/zinc/14/87/80/219148780.db2.gz RHBQDRCRIYMCMU-LSDHHAIUSA-N 2 1 292.427 2.432 20 0 CEADMP Cc1noc([C@H]2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000351616224 219148783 /nfs/dbraw/zinc/14/87/83/219148783.db2.gz RHBQDRCRIYMCMU-LSDHHAIUSA-N 2 1 292.427 2.432 20 0 CEADMP Cc1noc([C@H]2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000351616224 219148785 /nfs/dbraw/zinc/14/87/85/219148785.db2.gz RHBQDRCRIYMCMU-LSDHHAIUSA-N 2 1 292.427 2.432 20 0 CEADMP Cc1noc([C@H]2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000351616224 219148786 /nfs/dbraw/zinc/14/87/86/219148786.db2.gz RHBQDRCRIYMCMU-LSDHHAIUSA-N 2 1 292.427 2.432 20 0 CEADMP CC[N@H+](Cc1cccc(Cl)c1)C[C@](C)(O)C[NH2+]C ZINC000584842804 344992719 /nfs/dbraw/zinc/99/27/19/344992719.db2.gz AOUZAVZCTQZKBT-CQSZACIVSA-N 2 1 270.804 2.132 20 0 CEADMP CC[N@@H+](Cc1cccc(Cl)c1)C[C@](C)(O)C[NH2+]C ZINC000584842804 344992721 /nfs/dbraw/zinc/99/27/21/344992721.db2.gz AOUZAVZCTQZKBT-CQSZACIVSA-N 2 1 270.804 2.132 20 0 CEADMP CCOC(=O)CC[N@@H+](CC1CC1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000591272208 345236525 /nfs/dbraw/zinc/23/65/25/345236525.db2.gz WFVCYYOAIIGUJG-UKRRQHHQSA-N 2 1 282.428 2.040 20 0 CEADMP C[C@@H]([N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000591373325 345245507 /nfs/dbraw/zinc/24/55/07/345245507.db2.gz PQFUANHQMIBJKC-CYBMUJFWSA-N 2 1 295.471 2.096 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592433618 345352512 /nfs/dbraw/zinc/35/25/12/345352512.db2.gz MIUAODTYTFXXKM-GJZGRUSLSA-N 2 1 296.455 2.287 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(N(C)C)CCC1 ZINC000097927769 232188731 /nfs/dbraw/zinc/18/87/31/232188731.db2.gz WYINDOBUUNOTFY-CABCVRRESA-N 2 1 267.461 2.371 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229371097 539465260 /nfs/dbraw/zinc/46/52/60/539465260.db2.gz KVPOTZBFICPHBV-IHRRRGAJSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000229370515 539465420 /nfs/dbraw/zinc/46/54/20/539465420.db2.gz MVTJNYKDUGROHB-RDBSUJKOSA-N 2 1 252.402 2.290 20 0 CEADMP Cc1cccnc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093175472 232182370 /nfs/dbraw/zinc/18/23/70/232182370.db2.gz IKDYYSOYPJIPIR-OAHLLOKOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cccnc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093175472 232182375 /nfs/dbraw/zinc/18/23/75/232182375.db2.gz IKDYYSOYPJIPIR-OAHLLOKOSA-N 2 1 259.397 2.308 20 0 CEADMP CC(C)OC(=O)C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000594046054 345572631 /nfs/dbraw/zinc/57/26/31/345572631.db2.gz NZQOGJAESRVOHF-LSDHHAIUSA-N 2 1 284.444 2.427 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCc2c[nH+]cn2C)o1 ZINC000623085873 349933435 /nfs/dbraw/zinc/93/34/35/349933435.db2.gz KHFLRCRIQPVVKT-UHFFFAOYSA-N 2 1 299.378 2.054 20 0 CEADMP Cn1cc(C[NH2+]CCc2c[nH+]cn2C)c(-c2ccccc2)n1 ZINC000623086421 349933470 /nfs/dbraw/zinc/93/34/70/349933470.db2.gz PVJIONHTXDUTBU-UHFFFAOYSA-N 2 1 295.390 2.153 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC)[NH+](C)C ZINC000594914471 345700044 /nfs/dbraw/zinc/70/00/44/345700044.db2.gz IPUFYWWWYVKIOL-UNQGMJICSA-N 2 1 284.444 2.140 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000594925132 345704042 /nfs/dbraw/zinc/70/40/42/345704042.db2.gz LCSOFYGTXJTORO-DTZQCDIJSA-N 2 1 296.455 2.284 20 0 CEADMP C[C@H](CSCCF)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000595053097 345735493 /nfs/dbraw/zinc/73/54/93/345735493.db2.gz ZQCAVFBZIXQFTF-KGLIPLIRSA-N 2 1 292.464 2.168 20 0 CEADMP C[C@H](CSCCF)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000595053097 345735494 /nfs/dbraw/zinc/73/54/94/345735494.db2.gz ZQCAVFBZIXQFTF-KGLIPLIRSA-N 2 1 292.464 2.168 20 0 CEADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000595886303 345905920 /nfs/dbraw/zinc/90/59/20/345905920.db2.gz UESKTCWWRJWVQJ-MGPQQGTHSA-N 2 1 284.469 2.113 20 0 CEADMP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900249 345909948 /nfs/dbraw/zinc/90/99/48/345909948.db2.gz CEXCKYCMMTUHOJ-JKSUJKDBSA-N 2 1 296.455 2.430 20 0 CEADMP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900569 345910241 /nfs/dbraw/zinc/91/02/41/345910241.db2.gz HBIGAZVOHZQUMX-GJZGRUSLSA-N 2 1 282.428 2.040 20 0 CEADMP CCc1nocc1C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000351687286 219175049 /nfs/dbraw/zinc/17/50/49/219175049.db2.gz VZSRVGGYVFCKIS-OAHLLOKOSA-N 2 1 295.427 2.170 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCNC2=O)cc1 ZINC000295137257 199365174 /nfs/dbraw/zinc/36/51/74/199365174.db2.gz YZYYLKCKAPFCAO-WBMJQRKESA-N 2 1 298.390 2.110 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)CC1(C)C ZINC000598981105 346441535 /nfs/dbraw/zinc/44/15/35/346441535.db2.gz MMEOCJUSBDSGRL-BZIRYSOJSA-N 2 1 286.485 2.139 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)CC1(C)C ZINC000598981105 346441540 /nfs/dbraw/zinc/44/15/40/346441540.db2.gz MMEOCJUSBDSGRL-BZIRYSOJSA-N 2 1 286.485 2.139 20 0 CEADMP COC(=O)CCCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000599278807 346490046 /nfs/dbraw/zinc/49/00/46/346490046.db2.gz HYWDUPQENRFHRK-UHFFFAOYSA-N 2 1 270.417 2.134 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCCN2C)C1 ZINC000599318728 346498442 /nfs/dbraw/zinc/49/84/42/346498442.db2.gz LVZVBCKJWDOYCV-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000599318728 346498443 /nfs/dbraw/zinc/49/84/43/346498443.db2.gz LVZVBCKJWDOYCV-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000599318728 346498444 /nfs/dbraw/zinc/49/84/44/346498444.db2.gz LVZVBCKJWDOYCV-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000599318728 346498445 /nfs/dbraw/zinc/49/84/45/346498445.db2.gz LVZVBCKJWDOYCV-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000599318728 346498446 /nfs/dbraw/zinc/49/84/46/346498446.db2.gz LVZVBCKJWDOYCV-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP COc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000129020685 365819818 /nfs/dbraw/zinc/81/98/18/365819818.db2.gz VKMOVGFUHBFRPD-VBQJREDUSA-N 2 1 292.423 2.392 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000600190161 346619314 /nfs/dbraw/zinc/61/93/14/346619314.db2.gz KGZLELJOTQKEPM-OAHLLOKOSA-N 2 1 290.407 2.295 20 0 CEADMP CCOC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000336802321 365834060 /nfs/dbraw/zinc/83/40/60/365834060.db2.gz UBXHFCCTHVLTQN-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP CCOC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000336802321 365834065 /nfs/dbraw/zinc/83/40/65/365834065.db2.gz UBXHFCCTHVLTQN-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@H](C)CCC[C@H]1CO ZINC000336802065 365834324 /nfs/dbraw/zinc/83/43/24/365834324.db2.gz SLQKRDYVFOYLTD-HIFRSBDPSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@H](C)CCC[C@H]1CO ZINC000336802065 365834331 /nfs/dbraw/zinc/83/43/31/365834331.db2.gz SLQKRDYVFOYLTD-HIFRSBDPSA-N 2 1 265.401 2.207 20 0 CEADMP CCC[NH+]1CCC(Nc2cc(C)[nH+]c(CC)n2)CC1 ZINC000336807344 365843361 /nfs/dbraw/zinc/84/33/61/365843361.db2.gz IYVVALHPRXJSJW-UHFFFAOYSA-N 2 1 262.401 2.056 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000336811643 365849911 /nfs/dbraw/zinc/84/99/11/365849911.db2.gz NWHDPRDEIPNGEO-AWEZNQCLSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000336811643 365849918 /nfs/dbraw/zinc/84/99/18/365849918.db2.gz NWHDPRDEIPNGEO-AWEZNQCLSA-N 2 1 265.401 2.065 20 0 CEADMP C[C@@H](C[NH2+]Cc1cn(C)nc1C(C)(C)C)C[NH+](C)C ZINC000336816327 365859897 /nfs/dbraw/zinc/85/98/97/365859897.db2.gz LOXUHWDNPJETPJ-LBPRGKRZSA-N 2 1 266.433 2.005 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336820560 365868840 /nfs/dbraw/zinc/86/88/40/365868840.db2.gz DLYOMXAKOPZOIH-UHFFFAOYSA-N 3 1 278.444 2.245 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCCF)[C@H](C)C1 ZINC000351823065 219216793 /nfs/dbraw/zinc/21/67/93/219216793.db2.gz KYZBSPIFFBOPJA-CABCVRRESA-N 2 1 274.424 2.463 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1ccncc1F)C1CC1 ZINC000453601636 539570439 /nfs/dbraw/zinc/57/04/39/539570439.db2.gz UVDKNEAUPLWJHS-UHFFFAOYSA-N 2 1 251.349 2.185 20 0 CEADMP Cc1nccn1CCC[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000336886104 365934669 /nfs/dbraw/zinc/93/46/69/365934669.db2.gz BNOHSHSKTIERDS-HUUCEWRRSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000336886104 365934674 /nfs/dbraw/zinc/93/46/74/365934674.db2.gz BNOHSHSKTIERDS-HUUCEWRRSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000336886104 365934678 /nfs/dbraw/zinc/93/46/78/365934678.db2.gz BNOHSHSKTIERDS-HUUCEWRRSA-N 2 1 265.401 2.065 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334425576 539592307 /nfs/dbraw/zinc/59/23/07/539592307.db2.gz UUSGFEMWCROCHZ-INIZCTEOSA-N 2 1 276.428 2.283 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334425576 539592310 /nfs/dbraw/zinc/59/23/10/539592310.db2.gz UUSGFEMWCROCHZ-INIZCTEOSA-N 2 1 276.428 2.283 20 0 CEADMP C[N@H+]1CC[C@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000614255002 348168875 /nfs/dbraw/zinc/16/88/75/348168875.db2.gz NJYZFXGXMFHTKG-ZDUSSCGKSA-N 2 1 296.374 2.137 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3ccc4c(c3)CCO4)C[C@@H]12 ZINC000339407982 215152816 /nfs/dbraw/zinc/15/28/16/215152816.db2.gz TWFKTAJIJGJCAF-GVDBMIGSSA-N 2 1 286.419 2.223 20 0 CEADMP CCN(C)c1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cn1 ZINC000339408499 215153550 /nfs/dbraw/zinc/15/35/50/215153550.db2.gz SPIFHRBENXNLNO-HNNXBMFYSA-N 2 1 278.444 2.343 20 0 CEADMP CCN(C)c1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cn1 ZINC000339408499 215153552 /nfs/dbraw/zinc/15/35/52/215153552.db2.gz SPIFHRBENXNLNO-HNNXBMFYSA-N 2 1 278.444 2.343 20 0 CEADMP Cc1ncsc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459733528 290220600 /nfs/dbraw/zinc/22/06/00/290220600.db2.gz NRKOBHPUJVRJQU-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)CC1(C)C ZINC000623356366 349997919 /nfs/dbraw/zinc/99/79/19/349997919.db2.gz LNDVRKNBWMFWTP-CQSZACIVSA-N 2 1 290.455 2.224 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000617009752 348610338 /nfs/dbraw/zinc/61/03/38/348610338.db2.gz FHAHZRTXCLBZNJ-QWHCGFSZSA-N 2 1 283.460 2.142 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000339072752 539657771 /nfs/dbraw/zinc/65/77/71/539657771.db2.gz XLCNRSFWQYIMCX-OWCLPIDISA-N 2 1 266.429 2.144 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000617506152 348718729 /nfs/dbraw/zinc/71/87/29/348718729.db2.gz CBBOGAXZBIMDHF-HRCADAONSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000617506152 348718732 /nfs/dbraw/zinc/71/87/32/348718732.db2.gz CBBOGAXZBIMDHF-HRCADAONSA-N 2 1 297.487 2.201 20 0 CEADMP Cc1sccc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617503257 348718824 /nfs/dbraw/zinc/71/88/24/348718824.db2.gz BGIJTNCFTDMSBL-LBPRGKRZSA-N 2 1 297.468 2.058 20 0 CEADMP Cc1sccc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617503257 348718825 /nfs/dbraw/zinc/71/88/25/348718825.db2.gz BGIJTNCFTDMSBL-LBPRGKRZSA-N 2 1 297.468 2.058 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CC[C@H](C)C1 ZINC000617506153 348718932 /nfs/dbraw/zinc/71/89/32/348718932.db2.gz CBBOGAXZBIMDHF-JYJNAYRXSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CC[C@H](C)C1 ZINC000617506153 348718933 /nfs/dbraw/zinc/71/89/33/348718933.db2.gz CBBOGAXZBIMDHF-JYJNAYRXSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000339226738 539662128 /nfs/dbraw/zinc/66/21/28/539662128.db2.gz FFOLVLYNNTUKFR-OAGGEKHMSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)o1 ZINC000357792330 233145372 /nfs/dbraw/zinc/14/53/72/233145372.db2.gz KHQJVDZQGMIREH-KBPBESRZSA-N 2 1 263.385 2.050 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000352011696 219287970 /nfs/dbraw/zinc/28/79/70/219287970.db2.gz CLJSYLPJBSMGLP-CVEARBPZSA-N 2 1 297.487 2.440 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000618988824 349088083 /nfs/dbraw/zinc/08/80/83/349088083.db2.gz GQDYDXCERJNGQW-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2c(c1)OCO2 ZINC000401869784 233185962 /nfs/dbraw/zinc/18/59/62/233185962.db2.gz KATJTXHKOFGWOO-LLVKDONJSA-N 2 1 273.336 2.042 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000620623926 349407328 /nfs/dbraw/zinc/40/73/28/349407328.db2.gz INPFSZNNKWEJLV-ZNMIVQPWSA-N 2 1 297.487 2.484 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000620623926 349407330 /nfs/dbraw/zinc/40/73/30/349407330.db2.gz INPFSZNNKWEJLV-ZNMIVQPWSA-N 2 1 297.487 2.484 20 0 CEADMP CC[C@H](C)[C@@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416352 350014572 /nfs/dbraw/zinc/01/45/72/350014572.db2.gz RWVHGRCRBYATNA-YDHLFZDLSA-N 2 1 256.434 2.246 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416350 350014666 /nfs/dbraw/zinc/01/46/66/350014666.db2.gz RWVHGRCRBYATNA-GZBFAFLISA-N 2 1 256.434 2.246 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416351 350014702 /nfs/dbraw/zinc/01/47/02/350014702.db2.gz RWVHGRCRBYATNA-KCQAQPDRSA-N 2 1 256.434 2.246 20 0 CEADMP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623436500 350020181 /nfs/dbraw/zinc/02/01/81/350020181.db2.gz VEFBTURLXNHMFM-KGLIPLIRSA-N 2 1 256.434 2.248 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)CC1(C)C ZINC000623490572 350033084 /nfs/dbraw/zinc/03/30/84/350033084.db2.gz OTZDRZXAHYDTJH-IRXDYDNUSA-N 2 1 290.451 2.443 20 0 CEADMP CC(C)CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623645702 350073602 /nfs/dbraw/zinc/07/36/02/350073602.db2.gz KVRINOBAFFTFJP-UONOGXRCSA-N 2 1 256.434 2.246 20 0 CEADMP CCn1nc(C)c(CNC[C@H]2CCCC[N@@H+](C)C2)c1C ZINC000623656351 350075663 /nfs/dbraw/zinc/07/56/63/350075663.db2.gz SHMIUZKHNPTLDF-OAHLLOKOSA-N 2 1 278.444 2.341 20 0 CEADMP CCn1nc(C)c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1C ZINC000623656351 350075665 /nfs/dbraw/zinc/07/56/65/350075665.db2.gz SHMIUZKHNPTLDF-OAHLLOKOSA-N 2 1 278.444 2.341 20 0 CEADMP CCn1nc(C)c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1C ZINC000623656351 350075669 /nfs/dbraw/zinc/07/56/69/350075669.db2.gz SHMIUZKHNPTLDF-OAHLLOKOSA-N 2 1 278.444 2.341 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000623656977 350076106 /nfs/dbraw/zinc/07/61/06/350076106.db2.gz HCSBAUYRCYMHGJ-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)Cn1nccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657644 350076753 /nfs/dbraw/zinc/07/67/53/350076753.db2.gz VVIIYDWLTLMNOA-OAHLLOKOSA-N 2 1 278.444 2.361 20 0 CEADMP CC(C)Cn1nccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657644 350076758 /nfs/dbraw/zinc/07/67/58/350076758.db2.gz VVIIYDWLTLMNOA-OAHLLOKOSA-N 2 1 278.444 2.361 20 0 CEADMP Cc1ccc(C[C@@H](CO)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623504592 350036407 /nfs/dbraw/zinc/03/64/07/350036407.db2.gz VICBAOPRICRISZ-SJORKVTESA-N 2 1 290.451 2.361 20 0 CEADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623514479 350039429 /nfs/dbraw/zinc/03/94/29/350039429.db2.gz PFFMHVGLVWDXAX-RDBSUJKOSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1N(C)C)C[NH+](C)C ZINC000623529827 350042291 /nfs/dbraw/zinc/04/22/91/350042291.db2.gz ASUSADGSAXATRV-NSHDSACASA-N 2 1 285.382 2.318 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CCCC2 ZINC000623529573 350042326 /nfs/dbraw/zinc/04/23/26/350042326.db2.gz PEPOXYPGFQZSGK-ZDUSSCGKSA-N 2 1 290.455 2.261 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CCCC2 ZINC000623529573 350042331 /nfs/dbraw/zinc/04/23/31/350042331.db2.gz PEPOXYPGFQZSGK-ZDUSSCGKSA-N 2 1 290.455 2.261 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CF)CCOCC2)CC1(C)C ZINC000623539265 350044797 /nfs/dbraw/zinc/04/47/97/350044797.db2.gz HSRBDBWFQCFLES-ZDUSSCGKSA-N 2 1 272.408 2.215 20 0 CEADMP CC[C@H](C)C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623557201 350049352 /nfs/dbraw/zinc/04/93/52/350049352.db2.gz OAKCIJXZULPUOE-IHRRRGAJSA-N 2 1 256.434 2.246 20 0 CEADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623557200 350049508 /nfs/dbraw/zinc/04/95/08/350049508.db2.gz OAKCIJXZULPUOE-BFHYXJOUSA-N 2 1 256.434 2.246 20 0 CEADMP c1ccc2c(c1)CO[C@H](C[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000623602427 350061594 /nfs/dbraw/zinc/06/15/94/350061594.db2.gz POZFDZNXLLGULD-KSZLIROESA-N 2 1 286.419 2.344 20 0 CEADMP CCc1noc(C)c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151121460 539755003 /nfs/dbraw/zinc/75/50/03/539755003.db2.gz XKBBFIGFIDMUDR-UHFFFAOYSA-N 2 1 286.379 2.263 20 0 CEADMP Cc1csc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)n1 ZINC000623928672 350145999 /nfs/dbraw/zinc/14/59/99/350145999.db2.gz XQGAEAYVTSFHMW-LLVKDONJSA-N 2 1 251.399 2.364 20 0 CEADMP Cc1csc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)n1 ZINC000623928672 350146001 /nfs/dbraw/zinc/14/60/01/350146001.db2.gz XQGAEAYVTSFHMW-LLVKDONJSA-N 2 1 251.399 2.364 20 0 CEADMP COC(=O)c1ccc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000271300523 191060726 /nfs/dbraw/zinc/06/07/26/191060726.db2.gz OMBOYHBFFSTIMO-INIZCTEOSA-N 2 1 290.407 2.389 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000271300523 191060730 /nfs/dbraw/zinc/06/07/30/191060730.db2.gz OMBOYHBFFSTIMO-INIZCTEOSA-N 2 1 290.407 2.389 20 0 CEADMP COC(=O)c1ccc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000271300523 191060732 /nfs/dbraw/zinc/06/07/32/191060732.db2.gz OMBOYHBFFSTIMO-INIZCTEOSA-N 2 1 290.407 2.389 20 0 CEADMP COC(=O)c1ccc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000271300523 191060735 /nfs/dbraw/zinc/06/07/35/191060735.db2.gz OMBOYHBFFSTIMO-INIZCTEOSA-N 2 1 290.407 2.389 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H]1CCCOC1 ZINC000624122284 350199882 /nfs/dbraw/zinc/19/98/82/350199882.db2.gz NRBMEBIQWIJBKP-ZNMIVQPWSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN2CC(F)F)[C@@H](C)C1 ZINC000624094417 350191876 /nfs/dbraw/zinc/19/18/76/350191876.db2.gz DRCFWWNCZDCGOS-IHRRRGAJSA-N 2 1 289.414 2.036 20 0 CEADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123634 350200780 /nfs/dbraw/zinc/20/07/80/350200780.db2.gz PQTZNXYGCXEZIP-HZPDHXFCSA-N 2 1 278.444 2.229 20 0 CEADMP CC(C)CC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666398 180221726 /nfs/dbraw/zinc/22/17/26/180221726.db2.gz YDJGSABANQEUOU-RRFJBIMHSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)CC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666398 180221727 /nfs/dbraw/zinc/22/17/27/180221727.db2.gz YDJGSABANQEUOU-RRFJBIMHSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn[nH]c1 ZINC000624213970 350230960 /nfs/dbraw/zinc/23/09/60/350230960.db2.gz LWRUNEHZFUGWHR-CYBMUJFWSA-N 2 1 250.390 2.154 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188534 350223588 /nfs/dbraw/zinc/22/35/88/350223588.db2.gz UHZNNXLEVNOFKQ-GOEBONIOSA-N 2 1 288.439 2.404 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000130456182 365959488 /nfs/dbraw/zinc/95/94/88/365959488.db2.gz YRMIGCXNNWRVNF-UHFFFAOYSA-N 2 1 296.415 2.038 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000130456182 365959491 /nfs/dbraw/zinc/95/94/91/365959491.db2.gz YRMIGCXNNWRVNF-UHFFFAOYSA-N 2 1 296.415 2.038 20 0 CEADMP C[N@@H+](CCOc1ccccc1F)C1CCC([NH3+])CC1 ZINC000091847660 180271145 /nfs/dbraw/zinc/27/11/45/180271145.db2.gz SGAMPMGYJPOPES-UHFFFAOYSA-N 2 1 266.360 2.406 20 0 CEADMP C[N@@H+](CC(=O)Nc1cc(F)ccc1F)C1CCC([NH3+])CC1 ZINC000091847690 180271348 /nfs/dbraw/zinc/27/13/48/180271348.db2.gz QOJSFJOCJHIAAJ-UHFFFAOYSA-N 2 1 297.349 2.105 20 0 CEADMP Cc1ccncc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000271358834 191095315 /nfs/dbraw/zinc/09/53/15/191095315.db2.gz FDWADISYOBCWCV-JKSUJKDBSA-N 2 1 291.439 2.278 20 0 CEADMP C[N@@H+](Cc1ccnc2ccccc12)C1CC[NH2+]CC1 ZINC000092349397 180367342 /nfs/dbraw/zinc/36/73/42/180367342.db2.gz SDGXYZRWRZRRCE-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP CCCn1cc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cn1 ZINC000130489072 365961651 /nfs/dbraw/zinc/96/16/51/365961651.db2.gz NPHGAJCGOIGIJA-HOCLYGCPSA-N 2 1 278.444 2.455 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cn2ccccc2n1 ZINC000130605753 365973235 /nfs/dbraw/zinc/97/32/35/365973235.db2.gz VYDBIVAXHXYTML-FMKPAKJESA-N 3 1 286.423 2.195 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCc1cn2ccccc2n1 ZINC000130605753 365973238 /nfs/dbraw/zinc/97/32/38/365973238.db2.gz VYDBIVAXHXYTML-FMKPAKJESA-N 3 1 286.423 2.195 20 0 CEADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC(C)(C)CCC2(C)C)CC1 ZINC000625723786 350554989 /nfs/dbraw/zinc/55/49/89/350554989.db2.gz VKHRDTGZARGSQC-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC(C)(C)CCC2(C)C)CC1 ZINC000625723786 350554990 /nfs/dbraw/zinc/55/49/90/350554990.db2.gz VKHRDTGZARGSQC-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000130623781 365975234 /nfs/dbraw/zinc/97/52/34/365975234.db2.gz ZZPLRNWQXYDBGV-FVQBIDKESA-N 2 1 262.397 2.101 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130623294 365975883 /nfs/dbraw/zinc/97/58/83/365975883.db2.gz HNLNJLMUQUKPPO-AWEZNQCLSA-N 2 1 294.443 2.208 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130623294 365975889 /nfs/dbraw/zinc/97/58/89/365975889.db2.gz HNLNJLMUQUKPPO-AWEZNQCLSA-N 2 1 294.443 2.208 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000110649630 186309688 /nfs/dbraw/zinc/30/96/88/186309688.db2.gz YMWDVPZLVXPGNC-SNVBAGLBSA-N 2 1 292.408 2.357 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4n[nH]cc43)CC[C@@H]21 ZINC000628190263 350998441 /nfs/dbraw/zinc/99/84/41/350998441.db2.gz ABIZESLPCCBBTC-YOEHRIQHSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4n[nH]cc43)CC[C@@H]21 ZINC000628190263 350998443 /nfs/dbraw/zinc/99/84/43/350998443.db2.gz ABIZESLPCCBBTC-YOEHRIQHSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4n[nH]cc43)CC[C@@H]21 ZINC000628190263 350998445 /nfs/dbraw/zinc/99/84/45/350998445.db2.gz ABIZESLPCCBBTC-YOEHRIQHSA-N 2 1 284.407 2.479 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000628279815 351038599 /nfs/dbraw/zinc/03/85/99/351038599.db2.gz AVPDBTRRUOPCHU-OAHLLOKOSA-N 2 1 277.412 2.455 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000628308629 351054950 /nfs/dbraw/zinc/05/49/50/351054950.db2.gz AGDWDDBUOLJSLS-CQSZACIVSA-N 2 1 284.407 2.451 20 0 CEADMP C[C@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000628756843 351185125 /nfs/dbraw/zinc/18/51/25/351185125.db2.gz VTOUZKRFSTYOJX-QXSJWSMHSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000628756843 351185126 /nfs/dbraw/zinc/18/51/26/351185126.db2.gz VTOUZKRFSTYOJX-QXSJWSMHSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+](Cc2ccncc2Br)CC1 ZINC000629513177 351383151 /nfs/dbraw/zinc/38/31/51/351383151.db2.gz UGJFKXVHNITKOB-SNVBAGLBSA-N 2 1 298.228 2.403 20 0 CEADMP CCC[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)OCC ZINC000629515000 351383843 /nfs/dbraw/zinc/38/38/43/351383843.db2.gz OMRANKWLWBXMFH-RYUDHWBXSA-N 2 1 251.374 2.350 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(F)cc1N(C)C ZINC000629520253 351385993 /nfs/dbraw/zinc/38/59/93/351385993.db2.gz DSUUHRAKTLQDMN-GFCCVEGCSA-N 2 1 295.402 2.050 20 0 CEADMP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCOCC2)cnn1C(C)(C)C ZINC000629523771 351388544 /nfs/dbraw/zinc/38/85/44/351388544.db2.gz IWLRCDRAWXNPQT-LBPRGKRZSA-N 2 1 294.443 2.105 20 0 CEADMP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1F ZINC000629524740 351390677 /nfs/dbraw/zinc/39/06/77/351390677.db2.gz NYLFNEAXTAMKEF-CQSZACIVSA-N 2 1 266.360 2.374 20 0 CEADMP C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629545785 351406315 /nfs/dbraw/zinc/40/63/15/351406315.db2.gz RDBUVEZAMMQBCA-MXSMSXNCSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271434417 191135112 /nfs/dbraw/zinc/13/51/12/191135112.db2.gz DLUXAMQMPYLYHX-YCPHGPKFSA-N 2 1 262.397 2.010 20 0 CEADMP C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271434417 191135115 /nfs/dbraw/zinc/13/51/15/191135115.db2.gz DLUXAMQMPYLYHX-YCPHGPKFSA-N 2 1 262.397 2.010 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1c(C)oc2ccccc21 ZINC000629653596 351450880 /nfs/dbraw/zinc/45/08/80/351450880.db2.gz KMBCDRUOWJHHGB-UHFFFAOYSA-N 2 1 276.380 2.409 20 0 CEADMP COCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000629652944 351450987 /nfs/dbraw/zinc/45/09/87/351450987.db2.gz FYBZXOSJMKIYMK-KGLIPLIRSA-N 2 1 278.396 2.248 20 0 CEADMP COC1(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCCC1 ZINC000629652999 351451238 /nfs/dbraw/zinc/45/12/38/351451238.db2.gz DNXHWXBUGKAAET-RYUDHWBXSA-N 2 1 294.361 2.405 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)C/C=C\c1ccc(F)cc1 ZINC000629655444 351451645 /nfs/dbraw/zinc/45/16/45/351451645.db2.gz WXGXAPWUWCLUSE-ARJAWSKDSA-N 2 1 266.360 2.007 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(-c2ccccc2F)o1 ZINC000629664777 351456919 /nfs/dbraw/zinc/45/69/19/351456919.db2.gz RIFWYEPYLAYXPI-UHFFFAOYSA-N 2 1 292.354 2.493 20 0 CEADMP [NH3+]CCC[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000629550881 351410098 /nfs/dbraw/zinc/41/00/98/351410098.db2.gz PUGLWHXKTBWBEM-GFCCVEGCSA-N 2 1 254.324 2.493 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(F)c2cccnc12 ZINC000629569059 351417224 /nfs/dbraw/zinc/41/72/24/351417224.db2.gz ACSALDDUTQRQQE-UHFFFAOYSA-N 2 1 291.370 2.042 20 0 CEADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CCOCC[NH3+] ZINC000629578156 351420615 /nfs/dbraw/zinc/42/06/15/351420615.db2.gz HCNDLAOJRRANSW-SNVBAGLBSA-N 2 1 274.767 2.447 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC000629581044 351422131 /nfs/dbraw/zinc/42/21/31/351422131.db2.gz KNUAQOMZEBZAOL-UKRRQHHQSA-N 2 1 256.434 2.105 20 0 CEADMP O[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000629582280 351423215 /nfs/dbraw/zinc/42/32/15/351423215.db2.gz QZBMWOCWBBJXJF-NILFDRSVSA-N 2 1 280.799 2.057 20 0 CEADMP O[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000629582280 351423221 /nfs/dbraw/zinc/42/32/21/351423221.db2.gz QZBMWOCWBBJXJF-NILFDRSVSA-N 2 1 280.799 2.057 20 0 CEADMP Cc1cccc(OCC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629585057 351424288 /nfs/dbraw/zinc/42/42/88/351424288.db2.gz YYEUSONTHURRHZ-CALCHBBNSA-N 2 1 274.408 2.305 20 0 CEADMP Cc1cccc(OCC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629585057 351424290 /nfs/dbraw/zinc/42/42/90/351424290.db2.gz YYEUSONTHURRHZ-CALCHBBNSA-N 2 1 274.408 2.305 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)s1 ZINC000629584901 351424345 /nfs/dbraw/zinc/42/43/45/351424345.db2.gz FTTYVDLHYRVZJU-OKILXGFUSA-N 2 1 265.426 2.191 20 0 CEADMP Cc1nc(C)c(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)s1 ZINC000629584901 351424349 /nfs/dbraw/zinc/42/43/49/351424349.db2.gz FTTYVDLHYRVZJU-OKILXGFUSA-N 2 1 265.426 2.191 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000070170875 363043722 /nfs/dbraw/zinc/04/37/22/363043722.db2.gz IFDQAEGAIYZWHG-ZDUSSCGKSA-N 2 1 286.379 2.297 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000070170875 363043730 /nfs/dbraw/zinc/04/37/30/363043730.db2.gz IFDQAEGAIYZWHG-ZDUSSCGKSA-N 2 1 286.379 2.297 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000070171582 363045532 /nfs/dbraw/zinc/04/55/32/363045532.db2.gz XQCQEUNIROREPR-TZMCWYRMSA-N 2 1 276.380 2.017 20 0 CEADMP C[N@H+]1CC[C@@]2(CC1(C)C)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000630387581 351719941 /nfs/dbraw/zinc/71/99/41/351719941.db2.gz OQARTRLROAHCLA-MRXNPFEDSA-N 2 1 298.394 2.143 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccnn2C(C)C)C1 ZINC000337189359 366063821 /nfs/dbraw/zinc/06/38/21/366063821.db2.gz RENVAWMAINKCEL-CQSZACIVSA-N 2 1 264.417 2.238 20 0 CEADMP C[NH+](C)CCC[N@H+](C)CCn1cc(C2CCCCC2)nn1 ZINC000630612870 351808944 /nfs/dbraw/zinc/80/89/44/351808944.db2.gz ZQSGGWPKEWUPBL-UHFFFAOYSA-N 2 1 293.459 2.209 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)CCn1cc(C2CCCCC2)nn1 ZINC000630612870 351808946 /nfs/dbraw/zinc/80/89/46/351808946.db2.gz ZQSGGWPKEWUPBL-UHFFFAOYSA-N 2 1 293.459 2.209 20 0 CEADMP C[NH+](C)C1(C[NH2+]C[C@@H]2CC=CCC2)CCOCC1 ZINC000123005304 187065886 /nfs/dbraw/zinc/06/58/86/187065886.db2.gz YRNFHFRULPANPK-CQSZACIVSA-N 2 1 252.402 2.043 20 0 CEADMP Cn1cccc1C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123653754 187102984 /nfs/dbraw/zinc/10/29/84/187102984.db2.gz ZXLSDYVCVFAHKL-UHFFFAOYSA-N 2 1 291.439 2.262 20 0 CEADMP Cc1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)on1 ZINC000631038170 351932576 /nfs/dbraw/zinc/93/25/76/351932576.db2.gz TZKUWESTHRIAIC-UHFFFAOYSA-N 2 1 259.353 2.334 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccnn1CC1CCC1 ZINC000631045507 351936483 /nfs/dbraw/zinc/93/64/83/351936483.db2.gz GVHBSFYUUGJJSN-UHFFFAOYSA-N 2 1 287.411 2.368 20 0 CEADMP Cc1scc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1C ZINC000631063358 351945208 /nfs/dbraw/zinc/94/52/08/351945208.db2.gz FKTQXOLQFJLONR-UHFFFAOYSA-N 2 1 295.496 2.482 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC000631196232 352010573 /nfs/dbraw/zinc/01/05/73/352010573.db2.gz PGOYPZWWJLKCFQ-MAUKXSAKSA-N 2 1 298.434 2.278 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC000631196232 352010576 /nfs/dbraw/zinc/01/05/76/352010576.db2.gz PGOYPZWWJLKCFQ-MAUKXSAKSA-N 2 1 298.434 2.278 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@H](c2ccccc2)C1 ZINC000631166366 351996140 /nfs/dbraw/zinc/99/61/40/351996140.db2.gz HXEQTFLSDXYJMD-SJORKVTESA-N 2 1 297.402 2.222 20 0 CEADMP COc1cncc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1C ZINC000631181797 352004825 /nfs/dbraw/zinc/00/48/25/352004825.db2.gz SPOMHSWIWWSVBV-AWEZNQCLSA-N 2 1 277.412 2.220 20 0 CEADMP COc1cncc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1C ZINC000631181797 352004827 /nfs/dbraw/zinc/00/48/27/352004827.db2.gz SPOMHSWIWWSVBV-AWEZNQCLSA-N 2 1 277.412 2.220 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCn3nccc32)CC1(C)C ZINC000631299239 352060143 /nfs/dbraw/zinc/06/01/43/352060143.db2.gz WSZVUENWSCEBJG-STQMWFEESA-N 2 1 262.401 2.180 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCn3nccc32)CC1(C)C ZINC000631299239 352060145 /nfs/dbraw/zinc/06/01/45/352060145.db2.gz WSZVUENWSCEBJG-STQMWFEESA-N 2 1 262.401 2.180 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccccc1-c1ccnn1C ZINC000352281238 219392954 /nfs/dbraw/zinc/39/29/54/219392954.db2.gz LQMQUTLJCIYHQF-UHFFFAOYSA-N 2 1 295.390 2.382 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](O)c1cccc(F)c1 ZINC000271542988 191203133 /nfs/dbraw/zinc/20/31/33/191203133.db2.gz UQEMWUVZPNDDNJ-RKLWJJNISA-N 2 1 280.387 2.320 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](O)c1cccc(F)c1 ZINC000271542988 191203135 /nfs/dbraw/zinc/20/31/35/191203135.db2.gz UQEMWUVZPNDDNJ-RKLWJJNISA-N 2 1 280.387 2.320 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cncnc1 ZINC000344778733 539910404 /nfs/dbraw/zinc/91/04/04/539910404.db2.gz XFYHGXWBSVPGHD-JKSUJKDBSA-N 2 1 276.428 2.467 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(C)n1 ZINC000152414008 188016554 /nfs/dbraw/zinc/01/65/54/188016554.db2.gz HNJQUPSYAWRUKP-SMDDNHRTSA-N 2 1 274.412 2.228 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)n1 ZINC000152414008 188016555 /nfs/dbraw/zinc/01/65/55/188016555.db2.gz HNJQUPSYAWRUKP-SMDDNHRTSA-N 2 1 274.412 2.228 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccc(OC)cc2OC)CC[C@H]1[NH3+] ZINC000251554185 539977722 /nfs/dbraw/zinc/97/77/22/539977722.db2.gz BFZMGMNFIOSEBI-SWLSCSKDSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)cc2OC)CC[C@H]1[NH3+] ZINC000251554185 539977727 /nfs/dbraw/zinc/97/77/27/539977727.db2.gz BFZMGMNFIOSEBI-SWLSCSKDSA-N 2 1 278.396 2.263 20 0 CEADMP COC(=O)c1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)oc1C ZINC000154747643 188159996 /nfs/dbraw/zinc/15/99/96/188159996.db2.gz GVWGDFWLRBHBJU-UHFFFAOYSA-N 2 1 294.395 2.148 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251934766 539995012 /nfs/dbraw/zinc/99/50/12/539995012.db2.gz ZQDZVXFBUOEGST-IUODEOHRSA-N 2 1 266.360 2.264 20 0 CEADMP COCC[N@@H+](CCCn1ccnc1)[C@@H]1CCC[C@H]1C ZINC000487994501 290372655 /nfs/dbraw/zinc/37/26/55/290372655.db2.gz YIPJWMHUACZVHF-HUUCEWRRSA-N 2 1 265.401 2.410 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292717429 198387152 /nfs/dbraw/zinc/38/71/52/198387152.db2.gz DYAYSWCVTLHBOQ-KRWDZBQOSA-N 2 1 274.408 2.361 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292717429 198387154 /nfs/dbraw/zinc/38/71/54/198387154.db2.gz DYAYSWCVTLHBOQ-KRWDZBQOSA-N 2 1 274.408 2.361 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292717429 198387155 /nfs/dbraw/zinc/38/71/55/198387155.db2.gz DYAYSWCVTLHBOQ-KRWDZBQOSA-N 2 1 274.408 2.361 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000494921946 291005170 /nfs/dbraw/zinc/00/51/70/291005170.db2.gz JZNQXVKVULNTBJ-OWCLPIDISA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@H]1CCCOC1 ZINC000252208874 290387485 /nfs/dbraw/zinc/38/74/85/290387485.db2.gz VULLJBHXCVFERV-LSDHHAIUSA-N 2 1 254.418 2.267 20 0 CEADMP COc1ccc(F)cc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132128394 366119524 /nfs/dbraw/zinc/11/95/24/366119524.db2.gz XDWMXHYMMSRKEK-NWDGAFQWSA-N 2 1 266.360 2.485 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000495044444 291012798 /nfs/dbraw/zinc/01/27/98/291012798.db2.gz JTPRSVNVRVCWEZ-MXSMSXNCSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000495044444 291012803 /nfs/dbraw/zinc/01/28/03/291012803.db2.gz JTPRSVNVRVCWEZ-MXSMSXNCSA-N 2 1 288.435 2.258 20 0 CEADMP CCn1nc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c2ccccc21 ZINC000132418008 366143343 /nfs/dbraw/zinc/14/33/43/366143343.db2.gz VMKYNOJJYOVVCE-OLZOCXBDSA-N 2 1 272.396 2.225 20 0 CEADMP CCn1nc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c2ccccc21 ZINC000132418008 366143348 /nfs/dbraw/zinc/14/33/48/366143348.db2.gz VMKYNOJJYOVVCE-OLZOCXBDSA-N 2 1 272.396 2.225 20 0 CEADMP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@@H](CO)C(C)C ZINC000451601707 283047362 /nfs/dbraw/zinc/04/73/62/283047362.db2.gz UXRQXILRSLTZFH-OWCLPIDISA-N 2 1 270.461 2.349 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCSC[C@@H]1C1CC1 ZINC000451653856 283066080 /nfs/dbraw/zinc/06/60/80/283066080.db2.gz NRLFUKDWYRHSCI-UONOGXRCSA-N 2 1 254.443 2.298 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451653856 283066082 /nfs/dbraw/zinc/06/60/82/283066082.db2.gz NRLFUKDWYRHSCI-UONOGXRCSA-N 2 1 254.443 2.298 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451653856 283066085 /nfs/dbraw/zinc/06/60/85/283066085.db2.gz NRLFUKDWYRHSCI-UONOGXRCSA-N 2 1 254.443 2.298 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cn(C)nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000158488570 540057820 /nfs/dbraw/zinc/05/78/20/540057820.db2.gz YYUKZZLESUOSDZ-OCCSQVGLSA-N 2 1 278.444 2.277 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cn(C)nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000158488570 540057825 /nfs/dbraw/zinc/05/78/25/540057825.db2.gz YYUKZZLESUOSDZ-OCCSQVGLSA-N 2 1 278.444 2.277 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CC[NH2+]1 ZINC000415108063 291056891 /nfs/dbraw/zinc/05/68/91/291056891.db2.gz KDHWXFFZRLEVTP-NXNVCVFFSA-N 2 1 280.456 2.248 20 0 CEADMP C(C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000569928406 299227444 /nfs/dbraw/zinc/22/74/44/299227444.db2.gz PXPXHMMITLTCPR-HZPDHXFCSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc([S@](C)=O)cc1 ZINC000271873399 191381944 /nfs/dbraw/zinc/38/19/44/191381944.db2.gz NKXRSSOFPHXBGQ-RBZFPXEDSA-N 2 1 292.448 2.337 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000353442225 283140815 /nfs/dbraw/zinc/14/08/15/283140815.db2.gz PBUHGCCMYOQKHO-NRKLIOEPSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000353442225 283140825 /nfs/dbraw/zinc/14/08/25/283140825.db2.gz PBUHGCCMYOQKHO-NRKLIOEPSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000353442225 283140828 /nfs/dbraw/zinc/14/08/28/283140828.db2.gz PBUHGCCMYOQKHO-NRKLIOEPSA-N 2 1 277.456 2.076 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000353442225 283140831 /nfs/dbraw/zinc/14/08/31/283140831.db2.gz PBUHGCCMYOQKHO-NRKLIOEPSA-N 3 1 277.456 2.076 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000353442225 283140835 /nfs/dbraw/zinc/14/08/35/283140835.db2.gz PBUHGCCMYOQKHO-NRKLIOEPSA-N 3 1 277.456 2.076 20 0 CEADMP C[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000353442225 283140838 /nfs/dbraw/zinc/14/08/38/283140838.db2.gz PBUHGCCMYOQKHO-NRKLIOEPSA-N 3 1 277.456 2.076 20 0 CEADMP C[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000353442225 283140841 /nfs/dbraw/zinc/14/08/41/283140841.db2.gz PBUHGCCMYOQKHO-NRKLIOEPSA-N 3 1 277.456 2.076 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCCCOC)C1 ZINC000076000771 363505812 /nfs/dbraw/zinc/50/58/12/363505812.db2.gz BVXLLKRSVYJNAN-HNNXBMFYSA-N 2 1 256.434 2.467 20 0 CEADMP COCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110005 363521944 /nfs/dbraw/zinc/52/19/44/363521944.db2.gz DWYUGXQQRZOYFQ-QGZVFWFLSA-N 2 1 276.424 2.477 20 0 CEADMP COCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110005 363521948 /nfs/dbraw/zinc/52/19/48/363521948.db2.gz DWYUGXQQRZOYFQ-QGZVFWFLSA-N 2 1 276.424 2.477 20 0 CEADMP COCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110005 363521952 /nfs/dbraw/zinc/52/19/52/363521952.db2.gz DWYUGXQQRZOYFQ-QGZVFWFLSA-N 2 1 276.424 2.477 20 0 CEADMP CC[C@]1(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000134570996 366341376 /nfs/dbraw/zinc/34/13/76/366341376.db2.gz JOSWAJYAWXJSOT-DOTOQJQBSA-N 2 1 295.471 2.147 20 0 CEADMP C[N@@H+](CCCNC(=O)CC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000134526827 366334659 /nfs/dbraw/zinc/33/46/59/366334659.db2.gz BEXMENGVLFKGCS-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1nc(C2CC2)cs1 ZINC000575794087 366360205 /nfs/dbraw/zinc/36/02/05/366360205.db2.gz HYKFQORFYZVQLD-MNOVXSKESA-N 2 1 251.399 2.238 20 0 CEADMP CCCOc1cc(C[N@@H+](C)CCC[NH3+])ccc1OC ZINC000575923125 366373902 /nfs/dbraw/zinc/37/39/02/366373902.db2.gz XIVAOHFFXSZWPN-UHFFFAOYSA-N 2 1 266.385 2.265 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348099593 538845388 /nfs/dbraw/zinc/84/53/88/538845388.db2.gz BWXMFEFAENQNLA-DLBZAZTESA-N 2 1 279.472 2.038 20 0 CEADMP C[C@H](C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C(C)(C)C ZINC000670267190 540260984 /nfs/dbraw/zinc/26/09/84/540260984.db2.gz VEVCUHIDWRAGPL-CABCVRRESA-N 2 1 297.487 2.201 20 0 CEADMP C[C@H](C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C(C)(C)C ZINC000670267190 540260988 /nfs/dbraw/zinc/26/09/88/540260988.db2.gz VEVCUHIDWRAGPL-CABCVRRESA-N 2 1 297.487 2.201 20 0 CEADMP C[C@H](CO)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121416317 538893781 /nfs/dbraw/zinc/89/37/81/538893781.db2.gz MWXAOXDZCHUZHT-HNNXBMFYSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@H](CO)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121416317 538893783 /nfs/dbraw/zinc/89/37/83/538893783.db2.gz MWXAOXDZCHUZHT-HNNXBMFYSA-N 2 1 276.424 2.211 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)C[C@@H]1c1ccccc1 ZINC000417401986 540275031 /nfs/dbraw/zinc/27/50/31/540275031.db2.gz MBTLMSORXQROII-VQHPVUNQSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)C[C@@H]1c1ccccc1 ZINC000417401986 540275034 /nfs/dbraw/zinc/27/50/34/540275034.db2.gz MBTLMSORXQROII-VQHPVUNQSA-N 2 1 274.408 2.325 20 0 CEADMP CC(=O)Nc1cccc(CN[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000155491663 540297852 /nfs/dbraw/zinc/29/78/52/540297852.db2.gz KCNXEUZKIJIGPS-WBMJQRKESA-N 2 1 287.407 2.360 20 0 CEADMP CC(=O)Nc1cccc(CN[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000155491663 540297857 /nfs/dbraw/zinc/29/78/57/540297857.db2.gz KCNXEUZKIJIGPS-WBMJQRKESA-N 2 1 287.407 2.360 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000166504011 540305531 /nfs/dbraw/zinc/30/55/31/540305531.db2.gz TULBXZOALZOVNK-BRWVUGGUSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166504011 540305533 /nfs/dbraw/zinc/30/55/33/540305533.db2.gz TULBXZOALZOVNK-BRWVUGGUSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166504011 540305535 /nfs/dbraw/zinc/30/55/35/540305535.db2.gz TULBXZOALZOVNK-BRWVUGGUSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000166504011 540305537 /nfs/dbraw/zinc/30/55/37/540305537.db2.gz TULBXZOALZOVNK-BRWVUGGUSA-N 3 1 279.472 2.323 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000166504011 540305539 /nfs/dbraw/zinc/30/55/39/540305539.db2.gz TULBXZOALZOVNK-BRWVUGGUSA-N 3 1 279.472 2.323 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166504011 540305541 /nfs/dbraw/zinc/30/55/41/540305541.db2.gz TULBXZOALZOVNK-BRWVUGGUSA-N 3 1 279.472 2.323 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166504011 540305542 /nfs/dbraw/zinc/30/55/42/540305542.db2.gz TULBXZOALZOVNK-BRWVUGGUSA-N 3 1 279.472 2.323 20 0 CEADMP C[C@H](CN[C@@H](C)c1ncc[nH]1)[N@H+]1CCC[C@@H](C)C1 ZINC000353460838 540314967 /nfs/dbraw/zinc/31/49/67/540314967.db2.gz LPVYNGRMZOUPOQ-UPJWGTAASA-N 2 1 250.390 2.181 20 0 CEADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353512541 540315904 /nfs/dbraw/zinc/31/59/04/540315904.db2.gz DNSJCVUNTMXPII-JJXSEGSLSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000249982977 283320900 /nfs/dbraw/zinc/32/09/00/283320900.db2.gz MIVZAMOMSVHZIZ-BRWVUGGUSA-N 3 1 279.472 2.371 20 0 CEADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353455479 283320969 /nfs/dbraw/zinc/32/09/69/283320969.db2.gz REAROPHUENOMFH-GVDBMIGSSA-N 2 1 279.472 2.323 20 0 CEADMP COc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000158942532 540395052 /nfs/dbraw/zinc/39/50/52/540395052.db2.gz NEEZACXBOBNXMR-ZFWWWQNUSA-N 2 1 262.397 2.310 20 0 CEADMP CC(C)[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000135187947 366405898 /nfs/dbraw/zinc/40/58/98/366405898.db2.gz KGMCXEKPHIIPGY-KRWDZBQOSA-N 2 1 276.424 2.258 20 0 CEADMP CCn1nccc1CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000338545752 366406103 /nfs/dbraw/zinc/40/61/03/366406103.db2.gz JGFWQKREJCXPLB-MRXNPFEDSA-N 2 1 290.455 2.109 20 0 CEADMP CCn1nccc1CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000338545752 366406105 /nfs/dbraw/zinc/40/61/05/366406105.db2.gz JGFWQKREJCXPLB-MRXNPFEDSA-N 2 1 290.455 2.109 20 0 CEADMP CCn1nccc1CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000338545752 366406109 /nfs/dbraw/zinc/40/61/09/366406109.db2.gz JGFWQKREJCXPLB-MRXNPFEDSA-N 2 1 290.455 2.109 20 0 CEADMP CCn1nccc1CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000338545752 366406110 /nfs/dbraw/zinc/40/61/10/366406110.db2.gz JGFWQKREJCXPLB-MRXNPFEDSA-N 2 1 290.455 2.109 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)C(=O)OC)C[C@@H]1C ZINC000338544628 366403863 /nfs/dbraw/zinc/40/38/63/366403863.db2.gz CSXHITMBYARFPE-KBPBESRZSA-N 2 1 284.444 2.380 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(C)(C)C(=O)OC)C[C@@H]1C ZINC000338544628 366403864 /nfs/dbraw/zinc/40/38/64/366403864.db2.gz CSXHITMBYARFPE-KBPBESRZSA-N 2 1 284.444 2.380 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(C)(C)C(=O)OC)C[C@@H]1C ZINC000338544628 366403867 /nfs/dbraw/zinc/40/38/67/366403867.db2.gz CSXHITMBYARFPE-KBPBESRZSA-N 2 1 284.444 2.380 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCOc1ccc(F)cc1 ZINC000135353216 366432178 /nfs/dbraw/zinc/43/21/78/366432178.db2.gz RXNYASOAUBWSTC-QWHCGFSZSA-N 2 1 266.360 2.264 20 0 CEADMP CO[C@@H](Cc1ccccc1)C[N@@H+](C)CCCn1ccnc1 ZINC000294857478 199217062 /nfs/dbraw/zinc/21/70/62/199217062.db2.gz BVCBIULCAVUMPS-KRWDZBQOSA-N 2 1 287.407 2.463 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414914585 236554481 /nfs/dbraw/zinc/55/44/81/236554481.db2.gz KUKIWAOKUNHDIV-MRXNPFEDSA-N 2 1 284.407 2.412 20 0 CEADMP COc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(F)c1 ZINC000578328258 366479220 /nfs/dbraw/zinc/47/92/20/366479220.db2.gz VYCPJLHQMVWOCH-HNNXBMFYSA-N 2 1 266.360 2.314 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000135881010 366479776 /nfs/dbraw/zinc/47/97/76/366479776.db2.gz JJINGBUPBBEKEF-WDEREUQCSA-N 2 1 261.394 2.465 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000135881010 366479784 /nfs/dbraw/zinc/47/97/84/366479784.db2.gz JJINGBUPBBEKEF-WDEREUQCSA-N 2 1 261.394 2.465 20 0 CEADMP COC(CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)OC ZINC000136767536 366525752 /nfs/dbraw/zinc/52/57/52/366525752.db2.gz QGRZTLNQSQEWBO-HUUCEWRRSA-N 2 1 284.444 2.192 20 0 CEADMP COC(C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)OC ZINC000136767536 366525755 /nfs/dbraw/zinc/52/57/55/366525755.db2.gz QGRZTLNQSQEWBO-HUUCEWRRSA-N 2 1 284.444 2.192 20 0 CEADMP COC(C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)OC ZINC000136767536 366525759 /nfs/dbraw/zinc/52/57/59/366525759.db2.gz QGRZTLNQSQEWBO-HUUCEWRRSA-N 2 1 284.444 2.192 20 0 CEADMP COC(C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)OC ZINC000136767536 366525761 /nfs/dbraw/zinc/52/57/61/366525761.db2.gz QGRZTLNQSQEWBO-HUUCEWRRSA-N 2 1 284.444 2.192 20 0 CEADMP COC(C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)OC ZINC000136767536 366525765 /nfs/dbraw/zinc/52/57/65/366525765.db2.gz QGRZTLNQSQEWBO-HUUCEWRRSA-N 2 1 284.444 2.192 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000311654855 540457491 /nfs/dbraw/zinc/45/74/91/540457491.db2.gz DQESKPGIYAHLLO-GOEBONIOSA-N 2 1 264.413 2.347 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000311654855 540457495 /nfs/dbraw/zinc/45/74/95/540457495.db2.gz DQESKPGIYAHLLO-GOEBONIOSA-N 2 1 264.413 2.347 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000312988577 540463215 /nfs/dbraw/zinc/46/32/15/540463215.db2.gz OYEDPAOTSYKSPF-GJZGRUSLSA-N 2 1 268.445 2.392 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CC(C)C ZINC000417349441 237088552 /nfs/dbraw/zinc/08/85/52/237088552.db2.gz FBRZROCWKCQGQN-KKUMJFAQSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496912803 291183091 /nfs/dbraw/zinc/18/30/91/291183091.db2.gz QJPHQLPWLTVMGU-SRVKXCTJSA-N 2 1 277.368 2.030 20 0 CEADMP Cc1cccn2c(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cnc12 ZINC000336224103 213050421 /nfs/dbraw/zinc/05/04/21/213050421.db2.gz AAOBPUYPFAJHOL-UONOGXRCSA-N 2 1 272.396 2.202 20 0 CEADMP Cc1cccn2c(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cnc12 ZINC000336224103 213050423 /nfs/dbraw/zinc/05/04/23/213050423.db2.gz AAOBPUYPFAJHOL-UONOGXRCSA-N 2 1 272.396 2.202 20 0 CEADMP CC[N@H+]1CCCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000297051216 200071983 /nfs/dbraw/zinc/07/19/83/200071983.db2.gz IIVYRSCBYVTKDB-UHFFFAOYSA-N 2 1 275.440 2.146 20 0 CEADMP CC[NH+]1CCCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000297051216 200071985 /nfs/dbraw/zinc/07/19/85/200071985.db2.gz IIVYRSCBYVTKDB-UHFFFAOYSA-N 2 1 275.440 2.146 20 0 CEADMP CC[NH+]1CCCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000297051216 200071987 /nfs/dbraw/zinc/07/19/87/200071987.db2.gz IIVYRSCBYVTKDB-UHFFFAOYSA-N 2 1 275.440 2.146 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000578717322 366535801 /nfs/dbraw/zinc/53/58/01/366535801.db2.gz CNPJBPBEURJNAZ-ROUUACIJSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000578717322 366535806 /nfs/dbraw/zinc/53/58/06/366535806.db2.gz CNPJBPBEURJNAZ-ROUUACIJSA-N 2 1 290.451 2.396 20 0 CEADMP Cc1ccn2cc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000578857808 366556872 /nfs/dbraw/zinc/55/68/72/366556872.db2.gz ZWKHVHDSUVFXFN-ZIAGYGMSSA-N 2 1 272.396 2.120 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(Cc3cnc4ccccn34)CC[C@@H]21 ZINC000139938276 366558751 /nfs/dbraw/zinc/55/87/51/366558751.db2.gz WIXTTZZPHONEQY-ZBFHGGJFSA-N 2 1 284.407 2.250 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1CC([NH+](C)C)C1 ZINC000579004546 366579678 /nfs/dbraw/zinc/57/96/78/366579678.db2.gz KNBYRMMHPVDPMY-AGERRDQYSA-N 2 1 287.451 2.189 20 0 CEADMP Cn1cncc1CCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000571222819 299299756 /nfs/dbraw/zinc/29/97/56/299299756.db2.gz ZYRFACYUJCDJDJ-INIZCTEOSA-N 2 1 290.455 2.016 20 0 CEADMP Cn1cncc1CCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000571222819 299299758 /nfs/dbraw/zinc/29/97/58/299299758.db2.gz ZYRFACYUJCDJDJ-INIZCTEOSA-N 2 1 290.455 2.016 20 0 CEADMP Cn1cncc1CCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000571222819 299299760 /nfs/dbraw/zinc/29/97/60/299299760.db2.gz ZYRFACYUJCDJDJ-INIZCTEOSA-N 2 1 290.455 2.016 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](O)c1cccc(F)c1 ZINC000297822599 200286586 /nfs/dbraw/zinc/28/65/86/200286586.db2.gz YZZOMBDQAXDLQS-SJKOYZFVSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1C=CCCCCC1 ZINC000339056831 366633636 /nfs/dbraw/zinc/63/36/36/366633636.db2.gz WWAQSZRZGCOUOW-QGZVFWFLSA-N 2 1 279.472 2.445 20 0 CEADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1noc2ccccc21 ZINC000579374798 366638341 /nfs/dbraw/zinc/63/83/41/366638341.db2.gz ZZGCWNVYFUWPLO-DGCLKSJQSA-N 2 1 259.353 2.435 20 0 CEADMP Fc1ccccc1OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066252 366638910 /nfs/dbraw/zinc/63/89/10/366638910.db2.gz JKSXQEOGLDKLSU-KGLIPLIRSA-N 2 1 278.371 2.421 20 0 CEADMP C(C1CC1)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339077003 366642651 /nfs/dbraw/zinc/64/26/51/366642651.db2.gz XJTKHIDOUDCWIX-SJORKVTESA-N 2 1 277.456 2.077 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C12CCOCC2 ZINC000579461987 366648578 /nfs/dbraw/zinc/64/85/78/366648578.db2.gz SYOUPNLJGGMFOM-HRCADAONSA-N 2 1 296.455 2.068 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cncn1C ZINC000177086903 189027153 /nfs/dbraw/zinc/02/71/53/189027153.db2.gz RJJCMQCRRQSPTF-HNNXBMFYSA-N 2 1 284.407 2.126 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)CCN1Cc1cncn1C ZINC000177086903 189027154 /nfs/dbraw/zinc/02/71/54/189027154.db2.gz RJJCMQCRRQSPTF-HNNXBMFYSA-N 2 1 284.407 2.126 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000674300210 540741136 /nfs/dbraw/zinc/74/11/36/540741136.db2.gz AIRBJTKZPXMTAH-HNNXBMFYSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000179262929 189182374 /nfs/dbraw/zinc/18/23/74/189182374.db2.gz AFOXKQUYAUPVNN-KRWDZBQOSA-N 2 1 287.407 2.117 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000179262929 189182375 /nfs/dbraw/zinc/18/23/75/189182375.db2.gz AFOXKQUYAUPVNN-KRWDZBQOSA-N 2 1 287.407 2.117 20 0 CEADMP c1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000675750217 540870921 /nfs/dbraw/zinc/87/09/21/540870921.db2.gz WMCSWHQIDPOLBY-CGTJXYLNSA-N 2 1 285.435 2.482 20 0 CEADMP c1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000675750217 540870925 /nfs/dbraw/zinc/87/09/25/540870925.db2.gz WMCSWHQIDPOLBY-CGTJXYLNSA-N 2 1 285.435 2.482 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675883083 540878670 /nfs/dbraw/zinc/87/86/70/540878670.db2.gz WGWRRCYQCBBNCG-HLLBOEOZSA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000675883160 540878688 /nfs/dbraw/zinc/87/86/88/540878688.db2.gz XDHSUARGFHMMAR-HOTGVXAUSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H](CC[NH2+]C[C@](C)(O)C(F)(F)F)[NH+]1CCCCC1 ZINC000579705660 366687515 /nfs/dbraw/zinc/68/75/15/366687515.db2.gz RVBHIIXAAYYMGP-RYUDHWBXSA-N 2 1 282.350 2.154 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000579825056 366709023 /nfs/dbraw/zinc/70/90/23/366709023.db2.gz DSWBVLLGWLVRMD-BRWVUGGUSA-N 2 1 281.488 2.475 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)[C@H](C)C1 ZINC000152758942 366713767 /nfs/dbraw/zinc/71/37/67/366713767.db2.gz YQUJDLWXSDORSI-GDBMZVCRSA-N 2 1 290.455 2.082 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccc(F)cc2)CC[N@H+]1C ZINC000181793213 189306708 /nfs/dbraw/zinc/30/67/08/189306708.db2.gz DWFMXXIGPRCQLD-RCBQFDQVSA-N 2 1 280.387 2.106 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237067132 370686242 /nfs/dbraw/zinc/68/62/42/370686242.db2.gz MNLMOFVUCLLPKH-HZPDHXFCSA-N 2 1 289.423 2.067 20 0 CEADMP CCOC1CC(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000638699482 370694964 /nfs/dbraw/zinc/69/49/64/370694964.db2.gz BOJAVOXRHXHLIH-OZEOOWDWSA-N 2 1 266.429 2.406 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1ccccc1OC(F)(F)F ZINC000083452712 363774639 /nfs/dbraw/zinc/77/46/39/363774639.db2.gz OXMQKGSRICATTL-UHFFFAOYSA-N 2 1 262.275 2.284 20 0 CEADMP CCC[C@H](CCc1ccccc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154310672 366767054 /nfs/dbraw/zinc/76/70/54/366767054.db2.gz UITUCHHUVVQXLK-SJORKVTESA-N 2 1 278.440 2.300 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000340109539 366774932 /nfs/dbraw/zinc/77/49/32/366774932.db2.gz SEKGRYQLOAWBNY-XJKSGUPXSA-N 2 1 261.413 2.419 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000580289586 366775911 /nfs/dbraw/zinc/77/59/11/366775911.db2.gz MRGNOTZAXPQAIG-HNNXBMFYSA-N 2 1 272.396 2.479 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)C2(C)CC2)CC1 ZINC000154526023 366778126 /nfs/dbraw/zinc/77/81/26/366778126.db2.gz XFCPOOOUDQTSOE-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP COc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)cc(OC)c1 ZINC000019905943 361565578 /nfs/dbraw/zinc/56/55/78/361565578.db2.gz UODKHSVAIDJUQR-UHFFFAOYSA-N 2 1 280.412 2.381 20 0 CEADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000678590405 541154315 /nfs/dbraw/zinc/15/43/15/541154315.db2.gz GNEIKCVGYKEADZ-SRABZTEZSA-N 2 1 276.424 2.223 20 0 CEADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000678590405 541154319 /nfs/dbraw/zinc/15/43/19/541154319.db2.gz GNEIKCVGYKEADZ-SRABZTEZSA-N 2 1 276.424 2.223 20 0 CEADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000678590404 541154625 /nfs/dbraw/zinc/15/46/25/541154625.db2.gz GNEIKCVGYKEADZ-JHNDHUHGSA-N 2 1 276.424 2.223 20 0 CEADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000678590404 541154629 /nfs/dbraw/zinc/15/46/29/541154629.db2.gz GNEIKCVGYKEADZ-JHNDHUHGSA-N 2 1 276.424 2.223 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)C1CC[NH+](C)CC1 ZINC000678598697 541155973 /nfs/dbraw/zinc/15/59/73/541155973.db2.gz MFFGRHRKEJLUMZ-RISCZKNCSA-N 2 1 262.401 2.107 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000679024029 541206142 /nfs/dbraw/zinc/20/61/42/541206142.db2.gz XQHWRWKVFNJCQF-FSDCSDTHSA-N 2 1 296.455 2.175 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCCCO)C1 ZINC000679340335 541259744 /nfs/dbraw/zinc/25/97/44/541259744.db2.gz QYVLLLBRVWTAFQ-GJZGRUSLSA-N 2 1 256.434 2.248 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000088399696 363893769 /nfs/dbraw/zinc/89/37/69/363893769.db2.gz BUYJIFMKRPCWQM-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP C[N@@H+](CCCN[C@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000089150183 363936958 /nfs/dbraw/zinc/93/69/58/363936958.db2.gz KHZJXEBYMHLYKW-ZBFHGGJFSA-N 2 1 267.461 2.358 20 0 CEADMP C[N@H+](CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000089150183 363936964 /nfs/dbraw/zinc/93/69/64/363936964.db2.gz KHZJXEBYMHLYKW-ZBFHGGJFSA-N 3 1 267.461 2.358 20 0 CEADMP C[N@@H+](CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000089150183 363936969 /nfs/dbraw/zinc/93/69/69/363936969.db2.gz KHZJXEBYMHLYKW-ZBFHGGJFSA-N 3 1 267.461 2.358 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000089147479 363937085 /nfs/dbraw/zinc/93/70/85/363937085.db2.gz ZFBRSOJUDRYSAO-AEFFLSMTSA-N 2 1 287.451 2.368 20 0 CEADMP CC1(C)Cc2cccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2O1 ZINC000090320212 364052779 /nfs/dbraw/zinc/05/27/79/364052779.db2.gz VKRSPOBYUOZDFA-GASCZTMLSA-N 2 1 272.392 2.051 20 0 CEADMP CC1(C)Cc2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2O1 ZINC000090320212 364052786 /nfs/dbraw/zinc/05/27/86/364052786.db2.gz VKRSPOBYUOZDFA-GASCZTMLSA-N 2 1 272.392 2.051 20 0 CEADMP CC1=C[C@@H](C)C[C@@H](C[NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000356427331 370706488 /nfs/dbraw/zinc/70/64/88/370706488.db2.gz PBUWFHWUBSHYQB-GDBMZVCRSA-N 2 1 280.456 2.415 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)n2c1 ZINC000334649629 364133865 /nfs/dbraw/zinc/13/38/65/364133865.db2.gz LTOJHWQAKPQRJY-UONOGXRCSA-N 2 1 272.396 2.202 20 0 CEADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)n2c1 ZINC000334649629 364133866 /nfs/dbraw/zinc/13/38/66/364133866.db2.gz LTOJHWQAKPQRJY-UONOGXRCSA-N 2 1 272.396 2.202 20 0 CEADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[NH3+])cc1 ZINC000237518748 370728277 /nfs/dbraw/zinc/72/82/77/370728277.db2.gz RQWQPEYGGHSVHW-AWEZNQCLSA-N 2 1 289.423 2.026 20 0 CEADMP Cn1cccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564147 364200655 /nfs/dbraw/zinc/20/06/55/364200655.db2.gz MOFDVZJGFLLEDS-HNNXBMFYSA-N 2 1 261.413 2.475 20 0 CEADMP Cn1cccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564147 364200657 /nfs/dbraw/zinc/20/06/57/364200657.db2.gz MOFDVZJGFLLEDS-HNNXBMFYSA-N 2 1 261.413 2.475 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1([NH3+])CCCCC1 ZINC000237668276 370742067 /nfs/dbraw/zinc/74/20/67/370742067.db2.gz YMGLZJOPAMCGOD-OAHLLOKOSA-N 2 1 295.471 2.419 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc(O)c2)C[C@H](C)O1 ZINC000237668786 370742943 /nfs/dbraw/zinc/74/29/43/370742943.db2.gz LUZSPGHMTYRDNE-GASCZTMLSA-N 2 1 292.423 2.371 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000334693234 364191079 /nfs/dbraw/zinc/19/10/79/364191079.db2.gz TYHHYSYUUFDABB-GXTWGEPZSA-N 2 1 272.396 2.133 20 0 CEADMP COc1cc(C[N@@H+](CC2CC[NH2+]CC2)C2CC2)ccc1O ZINC000094021503 364247537 /nfs/dbraw/zinc/24/75/37/364247537.db2.gz NAUXIDWDHBVFTJ-UHFFFAOYSA-N 2 1 290.407 2.365 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000335041304 364390535 /nfs/dbraw/zinc/39/05/35/364390535.db2.gz HAJCDDQFYICDHI-GXFFZTMASA-N 2 1 253.777 2.213 20 0 CEADMP C[C@H]1C[C@H](NCC2([NH3+])CCCCCC2)CC[N@H+]1C ZINC000335057489 364412805 /nfs/dbraw/zinc/41/28/05/364412805.db2.gz DFYKWQGKOSUCKO-UONOGXRCSA-N 3 1 253.434 2.110 20 0 CEADMP CC(C)CC[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000104138852 364681547 /nfs/dbraw/zinc/68/15/47/364681547.db2.gz AXMODSYBMNYCRC-OAHLLOKOSA-N 2 1 269.477 2.427 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000110758063 364723568 /nfs/dbraw/zinc/72/35/68/364723568.db2.gz BHOQVKFKPMIJPA-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335632598 212347342 /nfs/dbraw/zinc/34/73/42/212347342.db2.gz HTDBWNGZNHJQBB-HUUCEWRRSA-N 2 1 298.434 2.395 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000342766934 216519120 /nfs/dbraw/zinc/51/91/20/216519120.db2.gz YWVKESIVMKZVTJ-ILXRZTDVSA-N 2 1 295.471 2.001 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n21 ZINC000335634586 212350379 /nfs/dbraw/zinc/35/03/79/212350379.db2.gz PWKRUTZPYIRMRH-HZPDHXFCSA-N 2 1 298.434 2.464 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c(OC)c1 ZINC000112800230 364844867 /nfs/dbraw/zinc/84/48/67/364844867.db2.gz KEXIPRJQFJBQAP-WCQYABFASA-N 2 1 264.369 2.015 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c(OC)c1 ZINC000112800230 364844872 /nfs/dbraw/zinc/84/48/72/364844872.db2.gz KEXIPRJQFJBQAP-WCQYABFASA-N 2 1 264.369 2.015 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CCc1cccnc1)CC2 ZINC000335736824 364908268 /nfs/dbraw/zinc/90/82/68/364908268.db2.gz FNFIHPOTHPNZTA-UHFFFAOYSA-N 2 1 259.397 2.184 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CCc1cccnc1)CC2 ZINC000335736824 364908273 /nfs/dbraw/zinc/90/82/73/364908273.db2.gz FNFIHPOTHPNZTA-UHFFFAOYSA-N 2 1 259.397 2.184 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000680335776 541394511 /nfs/dbraw/zinc/39/45/11/541394511.db2.gz WWGPAMBOYCQXHX-UHFFFAOYSA-N 2 1 288.395 2.231 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000114076523 364925887 /nfs/dbraw/zinc/92/58/87/364925887.db2.gz VIXWVJSHXBUAPR-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000114076523 364925896 /nfs/dbraw/zinc/92/58/96/364925896.db2.gz VIXWVJSHXBUAPR-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000114076523 364925902 /nfs/dbraw/zinc/92/59/02/364925902.db2.gz VIXWVJSHXBUAPR-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000335750044 364928037 /nfs/dbraw/zinc/92/80/37/364928037.db2.gz YKHQSSWSIGRNFT-JQWIXIFHSA-N 2 1 276.409 2.307 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000335750044 364928039 /nfs/dbraw/zinc/92/80/39/364928039.db2.gz YKHQSSWSIGRNFT-JQWIXIFHSA-N 2 1 276.409 2.307 20 0 CEADMP CSCC[N@@H+](C)[C@@H]1CCC[NH+](CCSC)CC1 ZINC000121028497 365513968 /nfs/dbraw/zinc/51/39/68/365513968.db2.gz DNEHGFSFRUDGEN-CYBMUJFWSA-N 2 1 276.515 2.499 20 0 CEADMP CSCC[NH+](C)[C@@H]1CCC[N@H+](CCSC)CC1 ZINC000121028497 365513975 /nfs/dbraw/zinc/51/39/75/365513975.db2.gz DNEHGFSFRUDGEN-CYBMUJFWSA-N 2 1 276.515 2.499 20 0 CEADMP CSCC[NH+](C)[C@@H]1CCC[N@@H+](CCSC)CC1 ZINC000121028497 365513980 /nfs/dbraw/zinc/51/39/80/365513980.db2.gz DNEHGFSFRUDGEN-CYBMUJFWSA-N 2 1 276.515 2.499 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000582367870 366901382 /nfs/dbraw/zinc/90/13/82/366901382.db2.gz IVFLQXFRANSCLA-UKRRQHHQSA-N 2 1 270.380 2.184 20 0 CEADMP CC(C)CC[C@@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000159348435 366904551 /nfs/dbraw/zinc/90/45/51/366904551.db2.gz RJBFJXZHENTSPG-QLFBSQMISA-N 2 1 256.434 2.246 20 0 CEADMP c1cc([C@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)ccn1 ZINC000582554479 366927411 /nfs/dbraw/zinc/92/74/11/366927411.db2.gz OADFBQPTOCWTLA-INIZCTEOSA-N 2 1 259.397 2.357 20 0 CEADMP C[C@H](CNc1cc[nH+]cc1Br)[NH+](C)C ZINC000159824214 366951012 /nfs/dbraw/zinc/95/10/12/366951012.db2.gz BPILNCWFKKSTLX-MRVPVSSYSA-N 2 1 258.163 2.206 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000681089104 541502484 /nfs/dbraw/zinc/50/24/84/541502484.db2.gz IDEMKAGJUJGAKZ-LBPRGKRZSA-N 2 1 263.385 2.075 20 0 CEADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CCC(N)=O)cc1 ZINC000583156114 367009073 /nfs/dbraw/zinc/00/90/73/367009073.db2.gz IMSXTCBQKVDWPI-AWEZNQCLSA-N 2 1 289.423 2.026 20 0 CEADMP CC1CC[NH+](CCN2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000340812560 367038506 /nfs/dbraw/zinc/03/85/06/367038506.db2.gz ARXNEKNHFAHNRX-UHFFFAOYSA-N 2 1 276.428 2.321 20 0 CEADMP Cc1nc([C@@H](C)N2CCC(C[N@@H+](C)C(C)C)CC2)n[nH]1 ZINC000584396904 367151591 /nfs/dbraw/zinc/15/15/91/367151591.db2.gz OPLUCCPKORRWDY-GFCCVEGCSA-N 2 1 279.432 2.226 20 0 CEADMP Cc1nc([C@@H](C)N2CCC(C[N@H+](C)C(C)C)CC2)n[nH]1 ZINC000584396904 367151596 /nfs/dbraw/zinc/15/15/96/367151596.db2.gz OPLUCCPKORRWDY-GFCCVEGCSA-N 2 1 279.432 2.226 20 0 CEADMP Cc1nnc([C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)[nH]1 ZINC000584396904 367151604 /nfs/dbraw/zinc/15/16/04/367151604.db2.gz OPLUCCPKORRWDY-GFCCVEGCSA-N 2 1 279.432 2.226 20 0 CEADMP Cc1nnc([C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)[nH]1 ZINC000584396904 367151609 /nfs/dbraw/zinc/15/16/09/367151609.db2.gz OPLUCCPKORRWDY-GFCCVEGCSA-N 2 1 279.432 2.226 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)N2CCC[C@H]2C)C1 ZINC000357936049 370841387 /nfs/dbraw/zinc/84/13/87/370841387.db2.gz VNGWBFKRMWPVKA-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)N2CCC[C@H]2C)C1 ZINC000357936049 370841391 /nfs/dbraw/zinc/84/13/91/370841391.db2.gz VNGWBFKRMWPVKA-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)N2CCC[C@H]2C)C1 ZINC000357936049 370841396 /nfs/dbraw/zinc/84/13/96/370841396.db2.gz VNGWBFKRMWPVKA-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163183247 367222072 /nfs/dbraw/zinc/22/20/72/367222072.db2.gz WAKKFKYSYIPCNJ-IIAWOOMASA-N 2 1 262.397 2.101 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000245645678 370853593 /nfs/dbraw/zinc/85/35/93/370853593.db2.gz TVTSDBZRDYIJPR-HOTGVXAUSA-N 2 1 265.445 2.031 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000245703059 370859860 /nfs/dbraw/zinc/85/98/60/370859860.db2.gz XYBFHRGFKOTMEW-OLZOCXBDSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000245703059 370859865 /nfs/dbraw/zinc/85/98/65/370859865.db2.gz XYBFHRGFKOTMEW-OLZOCXBDSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1ccccc1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341193650 367215687 /nfs/dbraw/zinc/21/56/87/367215687.db2.gz QPAGOGDOXTURTP-UHFFFAOYSA-N 2 1 289.423 2.207 20 0 CEADMP COc1ccccc1[C@H]1CC[N@@H+](CCn2ccnc2)C1 ZINC000163099979 367217464 /nfs/dbraw/zinc/21/74/64/367217464.db2.gz PBEAAJBGCCHNNY-AWEZNQCLSA-N 2 1 271.364 2.381 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Oc2cccnc2)C1 ZINC000163309948 367230492 /nfs/dbraw/zinc/23/04/92/367230492.db2.gz PETQTWYPKMTZLL-ZBFHGGJFSA-N 2 1 275.396 2.019 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Oc2cccnc2)C1 ZINC000163309948 367230494 /nfs/dbraw/zinc/23/04/94/367230494.db2.gz PETQTWYPKMTZLL-ZBFHGGJFSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000163309948 367230501 /nfs/dbraw/zinc/23/05/01/367230501.db2.gz PETQTWYPKMTZLL-ZBFHGGJFSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000163309948 367230504 /nfs/dbraw/zinc/23/05/04/367230504.db2.gz PETQTWYPKMTZLL-ZBFHGGJFSA-N 2 1 275.396 2.019 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000163391017 367236288 /nfs/dbraw/zinc/23/62/88/367236288.db2.gz QFYYYTVWRHYHKS-OAHLLOKOSA-N 2 1 287.411 2.325 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000163391017 367236291 /nfs/dbraw/zinc/23/62/91/367236291.db2.gz QFYYYTVWRHYHKS-OAHLLOKOSA-N 2 1 287.411 2.325 20 0 CEADMP CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCCCC1 ZINC000305169097 283930222 /nfs/dbraw/zinc/93/02/22/283930222.db2.gz ZHXBKEJGCHFGRE-GJZGRUSLSA-N 2 1 256.434 2.248 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])CC)c2C1 ZINC000166720150 367327267 /nfs/dbraw/zinc/32/72/67/367327267.db2.gz OGVBXSXVIKRVBG-ZDUSSCGKSA-N 2 1 261.369 2.088 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])CC)c2C1 ZINC000166720150 367327268 /nfs/dbraw/zinc/32/72/68/367327268.db2.gz OGVBXSXVIKRVBG-ZDUSSCGKSA-N 2 1 261.369 2.088 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631575680 367413331 /nfs/dbraw/zinc/41/33/31/367413331.db2.gz WHTKVHVADONZHR-QPSCCSFWSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631575680 367413334 /nfs/dbraw/zinc/41/33/34/367413334.db2.gz WHTKVHVADONZHR-QPSCCSFWSA-N 2 1 266.429 2.264 20 0 CEADMP C([C@H]1CCCCO1)[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000631827258 367565510 /nfs/dbraw/zinc/56/55/10/367565510.db2.gz JOPRUZLILQOENM-ZNMIVQPWSA-N 2 1 252.402 2.020 20 0 CEADMP C(c1nc(C2CCC2)no1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000631827065 367565772 /nfs/dbraw/zinc/56/57/72/367565772.db2.gz DOBKQNBZFLNURB-CQSZACIVSA-N 2 1 290.411 2.301 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000171473718 367550311 /nfs/dbraw/zinc/55/03/11/367550311.db2.gz JFWXBFSUQHWXMJ-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](O)C(F)(F)F ZINC000631719996 367502275 /nfs/dbraw/zinc/50/22/75/367502275.db2.gz QGJZJPXFRZDIDT-KOLCDFICSA-N 2 1 282.350 2.151 20 0 CEADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631826766 367564181 /nfs/dbraw/zinc/56/41/81/367564181.db2.gz WNATUBXSHPAGHO-ARFHVFGLSA-N 2 1 266.429 2.267 20 0 CEADMP CCOCc1cc(C[N@@H+](C)CCC[NH3+])ccc1OC ZINC000572482935 299372376 /nfs/dbraw/zinc/37/23/76/299372376.db2.gz GYTIDBVVACIUNT-UHFFFAOYSA-N 2 1 266.385 2.012 20 0 CEADMP C([C@@H]1CCCCO1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000631829281 367567613 /nfs/dbraw/zinc/56/76/13/367567613.db2.gz MMFSWCSIUPUOSQ-HOTGVXAUSA-N 2 1 266.429 2.267 20 0 CEADMP COc1cccc(SCC[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631836992 367577492 /nfs/dbraw/zinc/57/74/92/367577492.db2.gz LFLUSNACMBBIPE-CHWSQXEVSA-N 2 1 280.437 2.314 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000342863867 367577764 /nfs/dbraw/zinc/57/77/64/367577764.db2.gz JQMBMAJJSNGPFA-CQSZACIVSA-N 2 1 293.411 2.245 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000342863867 367577767 /nfs/dbraw/zinc/57/77/67/367577767.db2.gz JQMBMAJJSNGPFA-CQSZACIVSA-N 2 1 293.411 2.245 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)C[C@H]1C[NH3+] ZINC000631838308 367579352 /nfs/dbraw/zinc/57/93/52/367579352.db2.gz LWFGRWYNVOWGKB-VHSXEESVSA-N 2 1 273.302 2.127 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cn2)C[C@H]1C[NH3+] ZINC000631838308 367579354 /nfs/dbraw/zinc/57/93/54/367579354.db2.gz LWFGRWYNVOWGKB-VHSXEESVSA-N 2 1 273.302 2.127 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@H]1C[NH3+] ZINC000631841973 367584509 /nfs/dbraw/zinc/58/45/09/367584509.db2.gz SOZPYQQFFOWTKN-MWLCHTKSSA-N 2 1 282.771 2.095 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@H]1C[NH3+] ZINC000631841973 367584513 /nfs/dbraw/zinc/58/45/13/367584513.db2.gz SOZPYQQFFOWTKN-MWLCHTKSSA-N 2 1 282.771 2.095 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000631844582 367585338 /nfs/dbraw/zinc/58/53/38/367585338.db2.gz YKQVHQXFJLIPCL-CMPLNLGQSA-N 2 1 283.213 2.476 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000631844582 367585342 /nfs/dbraw/zinc/58/53/42/367585342.db2.gz YKQVHQXFJLIPCL-CMPLNLGQSA-N 2 1 283.213 2.476 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000681548379 541565333 /nfs/dbraw/zinc/56/53/33/541565333.db2.gz XUJPSQVSUCZRLM-UHFFFAOYSA-N 2 1 299.403 2.271 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000631845034 367587974 /nfs/dbraw/zinc/58/79/74/367587974.db2.gz RQEINXBHOHZAGI-CMPLNLGQSA-N 2 1 283.213 2.476 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000631845034 367587981 /nfs/dbraw/zinc/58/79/81/367587981.db2.gz RQEINXBHOHZAGI-CMPLNLGQSA-N 2 1 283.213 2.476 20 0 CEADMP Fc1ccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631888195 367609245 /nfs/dbraw/zinc/60/92/45/367609245.db2.gz XCSADCMEVHMTJC-CJNGLKHVSA-N 2 1 278.371 2.278 20 0 CEADMP FC(F)(F)COCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886542 367609271 /nfs/dbraw/zinc/60/92/71/367609271.db2.gz IKYKAIUPSHQASK-NEPJUHHUSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886542 367609277 /nfs/dbraw/zinc/60/92/77/367609277.db2.gz IKYKAIUPSHQASK-NEPJUHHUSA-N 2 1 280.334 2.029 20 0 CEADMP c1cc(CCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)ccn1 ZINC000631889202 367611026 /nfs/dbraw/zinc/61/10/26/367611026.db2.gz DFOOKWHIKAHMQL-HOTGVXAUSA-N 2 1 259.397 2.088 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890821 367612396 /nfs/dbraw/zinc/61/23/96/367612396.db2.gz VVKLOEYRZKJICT-RHSMWYFYSA-N 2 1 273.424 2.327 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@@H]3CCCOC3)C1)CCCC2 ZINC000681827345 541601349 /nfs/dbraw/zinc/60/13/49/541601349.db2.gz GONUAIQRBXNVNE-HUUCEWRRSA-N 2 1 289.423 2.496 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@@H]3CCCOC3)C1)CCCC2 ZINC000681827345 541601352 /nfs/dbraw/zinc/60/13/52/541601352.db2.gz GONUAIQRBXNVNE-HUUCEWRRSA-N 2 1 289.423 2.496 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCc4ccccc43)CC2)C1 ZINC000682069183 541625771 /nfs/dbraw/zinc/62/57/71/541625771.db2.gz CQYSAPHWISIHGR-PKOBYXMFSA-N 2 1 299.462 2.386 20 0 CEADMP CN(CCc1cccnc1)CC[C@@H]1CCCC[N@H+]1C ZINC000173637350 367928970 /nfs/dbraw/zinc/92/89/70/367928970.db2.gz SXTSECWIIDNZCW-INIZCTEOSA-N 2 1 261.413 2.430 20 0 CEADMP C[N@@H+](CCc1cccnc1)CC[C@@H]1CCCC[NH+]1C ZINC000173637350 367928980 /nfs/dbraw/zinc/92/89/80/367928980.db2.gz SXTSECWIIDNZCW-INIZCTEOSA-N 2 1 261.413 2.430 20 0 CEADMP C[N@H+](CCc1cccnc1)CC[C@@H]1CCCC[NH+]1C ZINC000173637350 367928989 /nfs/dbraw/zinc/92/89/89/367928989.db2.gz SXTSECWIIDNZCW-INIZCTEOSA-N 2 1 261.413 2.430 20 0 CEADMP CC[NH+](CC)CC1CCN(C(=O)C[N@@H+](CC)C2CC2)CC1 ZINC000343729443 367975655 /nfs/dbraw/zinc/97/56/55/367975655.db2.gz WMRMQYTWZGPKEL-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1C[C@H](NC[C@H](C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000343902870 368067617 /nfs/dbraw/zinc/06/76/17/368067617.db2.gz TWERRHGVPWJXHE-JYJNAYRXSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@@H+]1C[C@H](NC[C@H](C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000343902870 368067621 /nfs/dbraw/zinc/06/76/21/368067621.db2.gz TWERRHGVPWJXHE-JYJNAYRXSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000335522773 212212595 /nfs/dbraw/zinc/21/25/95/212212595.db2.gz ZZJRTDDHANRHFD-HZPDHXFCSA-N 2 1 295.471 2.227 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CC2=CC[N@@H+](C)CC2)o1 ZINC000345168094 368178835 /nfs/dbraw/zinc/17/88/35/368178835.db2.gz PXODHJSPTSPECP-UHFFFAOYSA-N 2 1 286.379 2.330 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000345189726 368187149 /nfs/dbraw/zinc/18/71/49/368187149.db2.gz SDUBTNULBUKXNQ-UHFFFAOYSA-N 2 1 282.391 2.428 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000335490538 212167694 /nfs/dbraw/zinc/16/76/94/212167694.db2.gz FMUSYYZUAZBOCI-RISCZKNCSA-N 2 1 292.814 2.465 20 0 CEADMP C[C@@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCCCC1 ZINC000345823938 368439692 /nfs/dbraw/zinc/43/96/92/368439692.db2.gz YVPBWGGBSDUXJG-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@@H]1C ZINC000345945062 368491588 /nfs/dbraw/zinc/49/15/88/368491588.db2.gz GGHBWLUOMWQIAW-HRCADAONSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)C[C@@H]1COCC[N@H+]1CCCn1ccnc1 ZINC000182782680 368589348 /nfs/dbraw/zinc/58/93/48/368589348.db2.gz DUWGESWWQWBLGW-CQSZACIVSA-N 2 1 251.374 2.020 20 0 CEADMP c1cn(CCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000182799040 368590991 /nfs/dbraw/zinc/59/09/91/368590991.db2.gz RNFJAHVDWWTEFQ-MRXNPFEDSA-N 2 1 276.428 2.081 20 0 CEADMP CCO[C@H]1C[C@H]([N@H+](C)CCn2cc[nH+]c2C)C12CCC2 ZINC000346298124 368624909 /nfs/dbraw/zinc/62/49/09/368624909.db2.gz AVGYHGIUWKUYLI-GJZGRUSLSA-N 2 1 277.412 2.471 20 0 CEADMP CCO[C@H]1C[C@H]([N@@H+](C)CCn2cc[nH+]c2C)C12CCC2 ZINC000346298124 368624915 /nfs/dbraw/zinc/62/49/15/368624915.db2.gz AVGYHGIUWKUYLI-GJZGRUSLSA-N 2 1 277.412 2.471 20 0 CEADMP CCOc1ccc2c(c1)CC[N@H+](CCn1ccnc1)C2 ZINC000346318227 368633547 /nfs/dbraw/zinc/63/35/47/368633547.db2.gz WXRIOSFKEZJTJO-UHFFFAOYSA-N 2 1 271.364 2.340 20 0 CEADMP CC/C=C/CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000184539624 368701269 /nfs/dbraw/zinc/70/12/69/368701269.db2.gz PQTURXNRNOOTBO-LAQIPUCWSA-N 2 1 279.472 2.445 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)NC2)cc1 ZINC000358101397 370906771 /nfs/dbraw/zinc/90/67/71/370906771.db2.gz UMNXSLZWSJEFOL-SWLSCSKDSA-N 2 1 298.390 2.110 20 0 CEADMP C[N@H+](Cc1c[nH]nc1C(C)(C)C)CC(C)(C)C[NH3+] ZINC000346665145 368759847 /nfs/dbraw/zinc/75/98/47/368759847.db2.gz XUQGRLSVFLRDIQ-UHFFFAOYSA-N 2 1 252.406 2.124 20 0 CEADMP C[N@@H+](Cc1c[nH]nc1C(C)(C)C)CC(C)(C)C[NH3+] ZINC000346665145 368759855 /nfs/dbraw/zinc/75/98/55/368759855.db2.gz XUQGRLSVFLRDIQ-UHFFFAOYSA-N 2 1 252.406 2.124 20 0 CEADMP Cc1cnc([C@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)o1 ZINC000330627474 203055695 /nfs/dbraw/zinc/05/56/95/203055695.db2.gz KENRPFSCSVJWSC-OCCSQVGLSA-N 2 1 295.427 2.069 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346682051 368767236 /nfs/dbraw/zinc/76/72/36/368767236.db2.gz OVVMBHGXZROPAA-SMDDNHRTSA-N 2 1 278.444 2.424 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000346685467 368769170 /nfs/dbraw/zinc/76/91/70/368769170.db2.gz SIVDOGPAYJETIQ-OCCSQVGLSA-N 2 1 270.380 2.246 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000346686771 368770546 /nfs/dbraw/zinc/77/05/46/368770546.db2.gz UGIRJJRVJGSGPM-TZMCWYRMSA-N 2 1 278.396 2.263 20 0 CEADMP COCCOc1cccc(C[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000346692232 368774823 /nfs/dbraw/zinc/77/48/23/368774823.db2.gz XPRJQDRYSPBBRQ-UHFFFAOYSA-N 2 1 280.412 2.129 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634679405 368809935 /nfs/dbraw/zinc/80/99/35/368809935.db2.gz UBPLQHDFFZPICU-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634684348 368812747 /nfs/dbraw/zinc/81/27/47/368812747.db2.gz NXUKJTICZBBXRR-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634684348 368812753 /nfs/dbraw/zinc/81/27/53/368812753.db2.gz NXUKJTICZBBXRR-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2nc3c(s2)CCC3)C1 ZINC000634732178 368844759 /nfs/dbraw/zinc/84/47/59/368844759.db2.gz AFDYIGXSSHAYCO-NSHDSACASA-N 2 1 279.453 2.500 20 0 CEADMP CCC1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634707481 368832435 /nfs/dbraw/zinc/83/24/35/368832435.db2.gz GUKRHBUEWAKAKP-GOSISDBHSA-N 2 1 288.435 2.403 20 0 CEADMP CCC1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634707481 368832437 /nfs/dbraw/zinc/83/24/37/368832437.db2.gz GUKRHBUEWAKAKP-GOSISDBHSA-N 2 1 288.435 2.403 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc[nH+]c1C1CC1 ZINC000634650270 368797525 /nfs/dbraw/zinc/79/75/25/368797525.db2.gz HJWPTOGLPDZLGQ-MRXNPFEDSA-N 2 1 285.391 2.253 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc[nH+]c1C1CC1 ZINC000634650270 368797529 /nfs/dbraw/zinc/79/75/29/368797529.db2.gz HJWPTOGLPDZLGQ-MRXNPFEDSA-N 2 1 285.391 2.253 20 0 CEADMP COc1cc(C[N@@H+](C)CCCn2ccnc2C)ccn1 ZINC000348269690 368977246 /nfs/dbraw/zinc/97/72/46/368977246.db2.gz VSICABBYZYVSOV-UHFFFAOYSA-N 2 1 274.368 2.117 20 0 CEADMP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)ccn1 ZINC000348269690 368977257 /nfs/dbraw/zinc/97/72/57/368977257.db2.gz VSICABBYZYVSOV-UHFFFAOYSA-N 2 1 274.368 2.117 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1cccnc1 ZINC000348273421 368980429 /nfs/dbraw/zinc/98/04/29/368980429.db2.gz UOEZHZUJJNWJQP-UHFFFAOYSA-N 2 1 258.369 2.151 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1cccnc1 ZINC000348273421 368980431 /nfs/dbraw/zinc/98/04/31/368980431.db2.gz UOEZHZUJJNWJQP-UHFFFAOYSA-N 2 1 258.369 2.151 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000348165718 368930732 /nfs/dbraw/zinc/93/07/32/368930732.db2.gz YXSDATXRJDIXSE-RBSFLKMASA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+](CC1CC1)C[C@@H]1CCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000348182678 368936696 /nfs/dbraw/zinc/93/66/96/368936696.db2.gz SEVYAGISBXCDCH-ZDUSSCGKSA-N 2 1 285.395 2.126 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000348182678 368936702 /nfs/dbraw/zinc/93/67/02/368936702.db2.gz SEVYAGISBXCDCH-ZDUSSCGKSA-N 2 1 285.395 2.126 20 0 CEADMP CCn1cc(CC[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cn1 ZINC000348279383 368982372 /nfs/dbraw/zinc/98/23/72/368982372.db2.gz XZJGQVQJACKINQ-INIZCTEOSA-N 2 1 278.444 2.109 20 0 CEADMP CCn1cc(CC[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)cn1 ZINC000348279383 368982376 /nfs/dbraw/zinc/98/23/76/368982376.db2.gz XZJGQVQJACKINQ-INIZCTEOSA-N 2 1 278.444 2.109 20 0 CEADMP CC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccn(C)n1 ZINC000635010857 369046266 /nfs/dbraw/zinc/04/62/66/369046266.db2.gz NPZZTOURSZGPBO-MRXNPFEDSA-N 2 1 284.407 2.307 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000635010561 369046412 /nfs/dbraw/zinc/04/64/12/369046412.db2.gz AJZYJRUVDBHEFY-KFWWJZLASA-N 2 1 266.429 2.313 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000635010698 369046531 /nfs/dbraw/zinc/04/65/31/369046531.db2.gz UXKAVJGQYDCOQD-ZWNOBZJWSA-N 2 1 254.324 2.443 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634984060 369013584 /nfs/dbraw/zinc/01/35/84/369013584.db2.gz GKCLSRAHPQFIDC-AWEZNQCLSA-N 2 1 284.407 2.451 20 0 CEADMP CCn1cc(CC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000348363687 369020195 /nfs/dbraw/zinc/02/01/95/369020195.db2.gz SRTARPIYJKUIDG-QGZVFWFLSA-N 2 1 290.455 2.109 20 0 CEADMP CCn1cc(CC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000348363687 369020199 /nfs/dbraw/zinc/02/01/99/369020199.db2.gz SRTARPIYJKUIDG-QGZVFWFLSA-N 2 1 290.455 2.109 20 0 CEADMP CCn1cc(CC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000348363687 369020205 /nfs/dbraw/zinc/02/02/05/369020205.db2.gz SRTARPIYJKUIDG-QGZVFWFLSA-N 2 1 290.455 2.109 20 0 CEADMP CCn1cc(CC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000348363687 369020209 /nfs/dbraw/zinc/02/02/09/369020209.db2.gz SRTARPIYJKUIDG-QGZVFWFLSA-N 2 1 290.455 2.109 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)CC[C@H]1[NH3+] ZINC000634990817 369020318 /nfs/dbraw/zinc/02/03/18/369020318.db2.gz DTQILPVPAVXXJG-CXAGYDPISA-N 2 1 296.418 2.500 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)CC[C@H]1[NH3+] ZINC000634990817 369020321 /nfs/dbraw/zinc/02/03/21/369020321.db2.gz DTQILPVPAVXXJG-CXAGYDPISA-N 2 1 296.418 2.500 20 0 CEADMP C[C@H](c1ccsc1)[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634994133 369023911 /nfs/dbraw/zinc/02/39/11/369023911.db2.gz RXVDELQHPAHJLU-VQCLRJIVSA-N 2 1 291.464 2.179 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634995998 369025276 /nfs/dbraw/zinc/02/52/76/369025276.db2.gz WARQDPFTXOFPAN-SUMWQHHRSA-N 2 1 296.418 2.418 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000186734039 369029273 /nfs/dbraw/zinc/02/92/73/369029273.db2.gz QWDPVOHGFIYMGH-BRWVUGGUSA-N 2 1 279.472 2.467 20 0 CEADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc(Cl)c1OC ZINC000634998397 369030302 /nfs/dbraw/zinc/03/03/02/369030302.db2.gz FDMRRHFOWXNMHH-ZYHUDNBSSA-N 2 1 298.814 2.384 20 0 CEADMP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc(Cl)c1OC ZINC000634998397 369030311 /nfs/dbraw/zinc/03/03/11/369030311.db2.gz FDMRRHFOWXNMHH-ZYHUDNBSSA-N 2 1 298.814 2.384 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000186738732 369030761 /nfs/dbraw/zinc/03/07/61/369030761.db2.gz HKXRTTIKYXPNNO-HRCADAONSA-N 2 1 279.472 2.466 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000635011500 369048741 /nfs/dbraw/zinc/04/87/41/369048741.db2.gz PVCGJJKXZWCCHN-IAGOWNOFSA-N 3 1 285.435 2.049 20 0 CEADMP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000348412961 369039041 /nfs/dbraw/zinc/03/90/41/369039041.db2.gz ZZLGIHXKGDTMNL-HUUCEWRRSA-N 2 1 283.460 2.003 20 0 CEADMP c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000635011500 369048744 /nfs/dbraw/zinc/04/87/44/369048744.db2.gz PVCGJJKXZWCCHN-IAGOWNOFSA-N 2 1 285.435 2.049 20 0 CEADMP c1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000635011500 369048745 /nfs/dbraw/zinc/04/87/45/369048745.db2.gz PVCGJJKXZWCCHN-IAGOWNOFSA-N 2 1 285.435 2.049 20 0 CEADMP Cc1nccnc1[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635011272 369048905 /nfs/dbraw/zinc/04/89/05/369048905.db2.gz NAIHXMLKSYVESH-QWHCGFSZSA-N 2 1 262.401 2.214 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348286780 368985105 /nfs/dbraw/zinc/98/51/05/368985105.db2.gz GRPKCOJBBFUKDD-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CN(C)C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348286780 368985107 /nfs/dbraw/zinc/98/51/07/368985107.db2.gz GRPKCOJBBFUKDD-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CN(C)C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348286780 368985110 /nfs/dbraw/zinc/98/51/10/368985110.db2.gz GRPKCOJBBFUKDD-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634961257 368994328 /nfs/dbraw/zinc/99/43/28/368994328.db2.gz PAAYNAHZIWNJPP-CQSZACIVSA-N 2 1 270.380 2.061 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H](C)C[C@H](C)[NH3+])C2)cc1 ZINC000635012228 369049592 /nfs/dbraw/zinc/04/95/92/369049592.db2.gz JTNKKLMMVSEUEE-ZOBUZTSGSA-N 2 1 275.440 2.285 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H](C)C[C@H](C)[NH3+])C2)cc1 ZINC000635012228 369049595 /nfs/dbraw/zinc/04/95/95/369049595.db2.gz JTNKKLMMVSEUEE-ZOBUZTSGSA-N 2 1 275.440 2.285 20 0 CEADMP Cc1cc([C@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)nn1C ZINC000635012913 369051928 /nfs/dbraw/zinc/05/19/28/369051928.db2.gz WZPYAWIBDATYJV-ZDUSSCGKSA-N 2 1 284.407 2.225 20 0 CEADMP CC(C)[C@H]1CN([C@@H]2C[C@H]([NH3+])c3ccccc32)CC[N@H+]1C ZINC000635013800 369053048 /nfs/dbraw/zinc/05/30/48/369053048.db2.gz VVMNLDRQKDIFNC-GVDBMIGSSA-N 2 1 273.424 2.403 20 0 CEADMP CC(C)[C@H]1CN([C@@H]2C[C@@H]([NH3+])c3ccccc32)CC[N@H+]1C ZINC000635013795 369053267 /nfs/dbraw/zinc/05/32/67/369053267.db2.gz VVMNLDRQKDIFNC-BRWVUGGUSA-N 2 1 273.424 2.403 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H](CO)C1 ZINC000348680010 369119506 /nfs/dbraw/zinc/11/95/06/369119506.db2.gz IYLHRWYEMBEYFK-SUJAAXHWSA-N 2 1 268.445 2.103 20 0 CEADMP CCN(Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C[C@@H](C)O ZINC000348715441 369130820 /nfs/dbraw/zinc/13/08/20/369130820.db2.gz PTTMKWDPCPNMKN-GFCCVEGCSA-N 2 1 297.468 2.112 20 0 CEADMP CCN(Cc1nc2c(s1)CN(C(C)C)CC2)C[C@@H](C)O ZINC000348715441 369130826 /nfs/dbraw/zinc/13/08/26/369130826.db2.gz PTTMKWDPCPNMKN-GFCCVEGCSA-N 2 1 297.468 2.112 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000348894746 369193797 /nfs/dbraw/zinc/19/37/97/369193797.db2.gz PIVHSADKGKNZBT-HZPDHXFCSA-N 2 1 288.391 2.190 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000348894746 369193803 /nfs/dbraw/zinc/19/38/03/369193803.db2.gz PIVHSADKGKNZBT-HZPDHXFCSA-N 2 1 288.391 2.190 20 0 CEADMP COC[C@@H](C)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000187816788 369229456 /nfs/dbraw/zinc/22/94/56/369229456.db2.gz BCRSCJNWQYYBCR-FUHWJXTLSA-N 2 1 290.451 2.423 20 0 CEADMP CO[C@@H](C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000188128165 369302886 /nfs/dbraw/zinc/30/28/86/369302886.db2.gz OCKRCKXDLCICBI-AWEZNQCLSA-N 2 1 294.414 2.457 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccnc1C ZINC000349384938 369316165 /nfs/dbraw/zinc/31/61/65/369316165.db2.gz QLLVFKGIENFPRH-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccnc1C ZINC000349384938 369316167 /nfs/dbraw/zinc/31/61/67/369316167.db2.gz QLLVFKGIENFPRH-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCN2C2CCCC2)c2nccn21 ZINC000635995068 369448856 /nfs/dbraw/zinc/44/88/56/369448856.db2.gz LFJNMWDBHAOGCQ-MRVWCRGKSA-N 2 1 288.395 2.022 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358205580 370950965 /nfs/dbraw/zinc/95/09/65/370950965.db2.gz QWXSYZSCZUYAEF-KBMXLJTQSA-N 2 1 266.429 2.408 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000358229290 370962171 /nfs/dbraw/zinc/96/21/71/370962171.db2.gz GITGSVKOHGGICO-SJORKVTESA-N 2 1 292.423 2.193 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000358229290 370962176 /nfs/dbraw/zinc/96/21/76/370962176.db2.gz GITGSVKOHGGICO-SJORKVTESA-N 2 1 292.423 2.193 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000246439555 370962495 /nfs/dbraw/zinc/96/24/95/370962495.db2.gz DJDWFWKWTCETBT-BLLLJJGKSA-N 2 1 278.444 2.199 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000246439555 370962498 /nfs/dbraw/zinc/96/24/98/370962498.db2.gz DJDWFWKWTCETBT-BLLLJJGKSA-N 2 1 278.444 2.199 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000246439555 370962502 /nfs/dbraw/zinc/96/25/02/370962502.db2.gz DJDWFWKWTCETBT-BLLLJJGKSA-N 2 1 278.444 2.199 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000246439555 370962508 /nfs/dbraw/zinc/96/25/08/370962508.db2.gz DJDWFWKWTCETBT-BLLLJJGKSA-N 2 1 278.444 2.199 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000246439555 370962512 /nfs/dbraw/zinc/96/25/12/370962512.db2.gz DJDWFWKWTCETBT-BLLLJJGKSA-N 2 1 278.444 2.199 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246549460 370977076 /nfs/dbraw/zinc/97/70/76/370977076.db2.gz QVNVLKKSRWPERT-OLZOCXBDSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H](C)C1CCCCC1 ZINC000358261803 370980183 /nfs/dbraw/zinc/98/01/83/370980183.db2.gz WNORDOLUIBDIRG-IJEWVQPXSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H](C)C1CCCCC1 ZINC000358261803 370980186 /nfs/dbraw/zinc/98/01/86/370980186.db2.gz WNORDOLUIBDIRG-IJEWVQPXSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000358264005 370981587 /nfs/dbraw/zinc/98/15/87/370981587.db2.gz YACWPVAMVUKHCN-GDBMZVCRSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC000358264005 370981593 /nfs/dbraw/zinc/98/15/93/370981593.db2.gz YACWPVAMVUKHCN-GDBMZVCRSA-N 2 1 262.397 2.021 20 0 CEADMP Clc1cccnc1OCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358280032 370989443 /nfs/dbraw/zinc/98/94/43/370989443.db2.gz BIZHDIBFXLFZQN-STQMWFEESA-N 2 1 295.814 2.330 20 0 CEADMP CCN(CCC[NH+]1CCCC1)c1[nH+]cnc2[nH]ccc21 ZINC000276297529 193276727 /nfs/dbraw/zinc/27/67/27/193276727.db2.gz ZTMFBXIULODVGC-UHFFFAOYSA-N 2 1 273.384 2.270 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC000274963032 296147071 /nfs/dbraw/zinc/14/70/71/296147071.db2.gz XACLFBMAEZFUNJ-QWHCGFSZSA-N 2 1 296.846 2.022 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000351517713 369639924 /nfs/dbraw/zinc/63/99/24/369639924.db2.gz KQZYUZSWGGMGLY-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351517713 369639927 /nfs/dbraw/zinc/63/99/27/369639927.db2.gz KQZYUZSWGGMGLY-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351517713 369639930 /nfs/dbraw/zinc/63/99/30/369639930.db2.gz KQZYUZSWGGMGLY-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351517713 369639934 /nfs/dbraw/zinc/63/99/34/369639934.db2.gz KQZYUZSWGGMGLY-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351517713 369639936 /nfs/dbraw/zinc/63/99/36/369639936.db2.gz KQZYUZSWGGMGLY-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP C[N@@H+](C[C@@H](O)CNC1(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000351572239 369641067 /nfs/dbraw/zinc/64/10/67/369641067.db2.gz CZPDMXWTGGFNPK-HNNXBMFYSA-N 2 1 294.826 2.374 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000351684046 369650415 /nfs/dbraw/zinc/65/04/15/369650415.db2.gz HMRGCMUQKSPBAN-IRXDYDNUSA-N 2 1 279.472 2.421 20 0 CEADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000192100289 369772114 /nfs/dbraw/zinc/77/21/14/369772114.db2.gz OPTXGMZJDFKDHP-GJZGRUSLSA-N 2 1 295.471 2.084 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)[NH+]1CCCC1 ZINC000192466334 369816435 /nfs/dbraw/zinc/81/64/35/369816435.db2.gz CJUSXCIBPYCBRL-ZNMIVQPWSA-N 2 1 254.418 2.121 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000352700967 369844936 /nfs/dbraw/zinc/84/49/36/369844936.db2.gz CVAFDJDHQGDAKX-UHFFFAOYSA-N 2 1 254.418 2.406 20 0 CEADMP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H]1CCCO1 ZINC000352760322 369871506 /nfs/dbraw/zinc/87/15/06/369871506.db2.gz OKIVBWRECBWEAC-OLZOCXBDSA-N 2 1 283.441 2.252 20 0 CEADMP CC(C)[C@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCCCC1 ZINC000352790805 369878643 /nfs/dbraw/zinc/87/86/43/369878643.db2.gz GIHCWWGQGBQZJZ-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCCCC1 ZINC000352790805 369878647 /nfs/dbraw/zinc/87/86/47/369878647.db2.gz GIHCWWGQGBQZJZ-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCC2(CCCC2)CC1 ZINC000352837858 369904465 /nfs/dbraw/zinc/90/44/65/369904465.db2.gz CMKPBFQDBYYXTD-CQSZACIVSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+](CC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921262 369950141 /nfs/dbraw/zinc/95/01/41/369950141.db2.gz HLHVODWUDRLMAS-IZGVIRRGSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](CC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921262 369950144 /nfs/dbraw/zinc/95/01/44/369950144.db2.gz HLHVODWUDRLMAS-IZGVIRRGSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](CC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921262 369950146 /nfs/dbraw/zinc/95/01/46/369950146.db2.gz HLHVODWUDRLMAS-IZGVIRRGSA-N 2 1 252.402 2.113 20 0 CEADMP COCC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCC1 ZINC000352853609 369914362 /nfs/dbraw/zinc/91/43/62/369914362.db2.gz OWQVKRLLJMDKDC-UHFFFAOYSA-N 2 1 283.441 2.111 20 0 CEADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CC[C@H](C)[NH3+] ZINC000193295800 369920042 /nfs/dbraw/zinc/92/00/42/369920042.db2.gz DHALVNIMMQGFSC-AWEZNQCLSA-N 2 1 291.439 2.270 20 0 CEADMP C[C@H](CCNC(=O)CC[C@H](C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000193322565 369925224 /nfs/dbraw/zinc/92/52/24/369925224.db2.gz HAYOXKZFRCLIRB-LSDHHAIUSA-N 2 1 291.439 2.141 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000194543963 370050900 /nfs/dbraw/zinc/05/09/00/370050900.db2.gz HKQNQEAIOOLDDI-CALCHBBNSA-N 2 1 296.418 2.379 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000194543963 370050902 /nfs/dbraw/zinc/05/09/02/370050902.db2.gz HKQNQEAIOOLDDI-CALCHBBNSA-N 2 1 296.418 2.379 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000194543963 370050907 /nfs/dbraw/zinc/05/09/07/370050907.db2.gz HKQNQEAIOOLDDI-CALCHBBNSA-N 2 1 296.418 2.379 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000194543963 370050912 /nfs/dbraw/zinc/05/09/12/370050912.db2.gz HKQNQEAIOOLDDI-CALCHBBNSA-N 2 1 296.418 2.379 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCO1 ZINC000353628289 370119168 /nfs/dbraw/zinc/11/91/68/370119168.db2.gz AYWOYMTZLORPEM-UXXRCYHCSA-N 2 1 252.402 2.016 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000354081793 370208927 /nfs/dbraw/zinc/20/89/27/370208927.db2.gz HVZSYOLBPWMTBT-MRXNPFEDSA-N 2 1 277.412 2.014 20 0 CEADMP COc1cccc(OC)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000638028671 370252990 /nfs/dbraw/zinc/25/29/90/370252990.db2.gz HBNIEOCUCCRNMF-UHFFFAOYSA-N 2 1 292.423 2.477 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000354332193 370319308 /nfs/dbraw/zinc/31/93/08/370319308.db2.gz ULRLXWFLSPRAIK-BYNSBNAKSA-N 2 1 284.444 2.284 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000354332193 370319309 /nfs/dbraw/zinc/31/93/09/370319309.db2.gz ULRLXWFLSPRAIK-BYNSBNAKSA-N 2 1 284.444 2.284 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(O)cc(F)c1 ZINC000223555266 370266727 /nfs/dbraw/zinc/26/67/27/370266727.db2.gz ZEJQQKUFKKBHAV-CYBMUJFWSA-N 2 1 252.333 2.235 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CCc2ccccn2)C[C@H]1C ZINC000354221899 370266740 /nfs/dbraw/zinc/26/67/40/370266740.db2.gz HQIMOENURBCHOD-GDBMZVCRSA-N 2 1 261.413 2.429 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccccn2)C[C@H]1C ZINC000354221899 370266742 /nfs/dbraw/zinc/26/67/42/370266742.db2.gz HQIMOENURBCHOD-GDBMZVCRSA-N 2 1 261.413 2.429 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccccn2)C[C@H]1C ZINC000354221899 370266750 /nfs/dbraw/zinc/26/67/50/370266750.db2.gz HQIMOENURBCHOD-GDBMZVCRSA-N 2 1 261.413 2.429 20 0 CEADMP CN(C)c1nc(NCCCCC[NH+]2CCCCC2)cc[nH+]1 ZINC000354337854 370322030 /nfs/dbraw/zinc/32/20/30/370322030.db2.gz CDSWXGCGZKCHBU-UHFFFAOYSA-N 2 1 291.443 2.033 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000354335235 370322535 /nfs/dbraw/zinc/32/25/35/370322535.db2.gz QUXBWSXXAGHBOK-GVDBMIGSSA-N 2 1 298.471 2.018 20 0 CEADMP CO[C@@](C)(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000638112071 370309148 /nfs/dbraw/zinc/30/91/48/370309148.db2.gz JOGYAMGJSLYBQY-ZBFHGGJFSA-N 2 1 266.429 2.219 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@](C)(CC)OC)[C@H](C)C1 ZINC000638114234 370310363 /nfs/dbraw/zinc/31/03/63/370310363.db2.gz TZCFBIWZVRGGHJ-QLFBSQMISA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@](C)(CC)OC)[C@H](C)C1 ZINC000638114234 370310366 /nfs/dbraw/zinc/31/03/66/370310366.db2.gz TZCFBIWZVRGGHJ-QLFBSQMISA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@](C)(CC)OC)[C@H](C)C1 ZINC000638114234 370310369 /nfs/dbraw/zinc/31/03/69/370310369.db2.gz TZCFBIWZVRGGHJ-QLFBSQMISA-N 2 1 256.434 2.464 20 0 CEADMP COCCc1ncc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000638116581 370313473 /nfs/dbraw/zinc/31/34/73/370313473.db2.gz JMDRIICMZXJULO-OLZOCXBDSA-N 2 1 297.468 2.247 20 0 CEADMP Clc1c[nH+]ccc1NCCN1CCSCC1 ZINC000226800582 370352008 /nfs/dbraw/zinc/35/20/08/370352008.db2.gz JBCNNDGTDZQWMU-UHFFFAOYSA-N 2 1 257.790 2.196 20 0 CEADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]2CCCO[C@H]21 ZINC000227082237 370357059 /nfs/dbraw/zinc/35/70/59/370357059.db2.gz KRKZPWPCNJRNCB-ARLBYUKCSA-N 2 1 278.440 2.264 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]CCCCn1cc[nH+]c1C ZINC000354490345 370384463 /nfs/dbraw/zinc/38/44/63/370384463.db2.gz CKQUFFNGSJCTDO-UHFFFAOYSA-N 2 1 281.400 2.151 20 0 CEADMP C[C@H](O)CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000227952715 370389164 /nfs/dbraw/zinc/38/91/64/370389164.db2.gz ZEUSNKZVRQVPAY-HNNXBMFYSA-N 2 1 276.424 2.402 20 0 CEADMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc(OC)c1 ZINC000226436300 370342863 /nfs/dbraw/zinc/34/28/63/370342863.db2.gz XMRFOWIVVPOUDR-ZDUSSCGKSA-N 2 1 278.396 2.135 20 0 CEADMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc(OC)c1 ZINC000226436300 370342871 /nfs/dbraw/zinc/34/28/71/370342871.db2.gz XMRFOWIVVPOUDR-ZDUSSCGKSA-N 2 1 278.396 2.135 20 0 CEADMP OCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638288929 370425065 /nfs/dbraw/zinc/42/50/65/370425065.db2.gz GBELUHZYNUSRFW-NVXWUHKLSA-N 2 1 274.408 2.327 20 0 CEADMP OCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638288929 370425068 /nfs/dbraw/zinc/42/50/68/370425068.db2.gz GBELUHZYNUSRFW-NVXWUHKLSA-N 2 1 274.408 2.327 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC(n2cccn2)C1 ZINC000638303572 370434475 /nfs/dbraw/zinc/43/44/75/370434475.db2.gz SWKIPQJHPSCGKZ-FHERZECASA-N 2 1 276.428 2.441 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473845 370404023 /nfs/dbraw/zinc/40/40/23/370404023.db2.gz MFGKZHRKTGBBLO-OCVGTWLNSA-N 2 1 287.407 2.073 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473845 370404026 /nfs/dbraw/zinc/40/40/26/370404026.db2.gz MFGKZHRKTGBBLO-OCVGTWLNSA-N 2 1 287.407 2.073 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000354549029 370407877 /nfs/dbraw/zinc/40/78/77/370407877.db2.gz JOWKCUXWSSPSOV-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP COc1cc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000638358306 370468270 /nfs/dbraw/zinc/46/82/70/370468270.db2.gz BRSMGYWACYTMCW-ZFWWWQNUSA-N 2 1 289.423 2.095 20 0 CEADMP C([NH2+]CC1CCSCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638361041 370471054 /nfs/dbraw/zinc/47/10/54/370471054.db2.gz ZOVAQIXPERIPOU-ZDUSSCGKSA-N 2 1 254.443 2.204 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638364034 370474180 /nfs/dbraw/zinc/47/41/80/370474180.db2.gz VWZRXNVQPFIFMD-QKPAOTATSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1)[N@H+]1CCC[C@@H](C)C1 ZINC000638364034 370474183 /nfs/dbraw/zinc/47/41/83/370474183.db2.gz VWZRXNVQPFIFMD-QKPAOTATSA-N 2 1 295.471 2.144 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccncc3Cl)C[C@@H]21 ZINC000230044831 370437687 /nfs/dbraw/zinc/43/76/87/370437687.db2.gz GHFTYHULTRYZST-SCDSUCTJSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccncc3Cl)C[C@@H]21 ZINC000230044831 370437689 /nfs/dbraw/zinc/43/76/89/370437689.db2.gz GHFTYHULTRYZST-SCDSUCTJSA-N 2 1 265.788 2.294 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000355124640 370513520 /nfs/dbraw/zinc/51/35/20/370513520.db2.gz RBDRILWAKYXYES-SNVBAGLBSA-N 2 1 276.409 2.488 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000638370522 370479401 /nfs/dbraw/zinc/47/94/01/370479401.db2.gz ZKKOSXBFQIKADU-KSZLIROESA-N 2 1 288.435 2.461 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000638370522 370479408 /nfs/dbraw/zinc/47/94/08/370479408.db2.gz ZKKOSXBFQIKADU-KSZLIROESA-N 2 1 288.435 2.461 20 0 CEADMP CC[N@@H+](CCCNC(=O)C1=CC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000638383269 370488073 /nfs/dbraw/zinc/48/80/73/370488073.db2.gz GBJPWHPPSKIASZ-OAHLLOKOSA-N 2 1 293.455 2.195 20 0 CEADMP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000355363629 370555721 /nfs/dbraw/zinc/55/57/21/370555721.db2.gz ICOOGGLHZSQOBQ-NILFDRSVSA-N 2 1 266.429 2.262 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000235416134 370564840 /nfs/dbraw/zinc/56/48/40/370564840.db2.gz MIJMOSPUSZRPRP-INIZCTEOSA-N 2 1 255.365 2.406 20 0 CEADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000638589711 370623829 /nfs/dbraw/zinc/62/38/29/370623829.db2.gz XRQOLPWLOLYNQI-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)[C@@H](C)C1 ZINC000358290353 370996108 /nfs/dbraw/zinc/99/61/08/370996108.db2.gz DTAFYDCLTVPHEQ-XHSDSOJGSA-N 2 1 296.455 2.035 20 0 CEADMP Cc1ccc(CC[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000639136934 371015117 /nfs/dbraw/zinc/01/51/17/371015117.db2.gz QPODCVUADIOQRV-UHFFFAOYSA-N 2 1 289.467 2.153 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCN2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000358329871 371017622 /nfs/dbraw/zinc/01/76/22/371017622.db2.gz PRTCIOLSLWVWEX-WMZOPIPTSA-N 2 1 287.451 2.335 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCN2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000358329871 371017627 /nfs/dbraw/zinc/01/76/27/371017627.db2.gz PRTCIOLSLWVWEX-WMZOPIPTSA-N 2 1 287.451 2.335 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000358344465 371025338 /nfs/dbraw/zinc/02/53/38/371025338.db2.gz JTCSHOZXLBDSDD-WWGRRREGSA-N 2 1 286.423 2.424 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000246922174 371031691 /nfs/dbraw/zinc/03/16/91/371031691.db2.gz GMOAVSIQSURAQF-BFHYXJOUSA-N 2 1 294.443 2.444 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2N)C1 ZINC000639169449 371042719 /nfs/dbraw/zinc/04/27/19/371042719.db2.gz DMEHTTGSGWPHAW-GFCCVEGCSA-N 2 1 265.376 2.228 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2N)C1 ZINC000639169449 371042723 /nfs/dbraw/zinc/04/27/23/371042723.db2.gz DMEHTTGSGWPHAW-GFCCVEGCSA-N 2 1 265.376 2.228 20 0 CEADMP C[C@@H](C(=O)N1CCC(C[NH+](C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000358437568 371067314 /nfs/dbraw/zinc/06/73/14/371067314.db2.gz FFSFSFWKMYEZKM-ZNMIVQPWSA-N 2 1 295.471 2.048 20 0 CEADMP Cc1nn(C)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358484038 371086073 /nfs/dbraw/zinc/08/60/73/371086073.db2.gz QGZOMARKTXLABZ-ZFWWWQNUSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1nn(C)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358484038 371086075 /nfs/dbraw/zinc/08/60/75/371086075.db2.gz QGZOMARKTXLABZ-ZFWWWQNUSA-N 2 1 290.455 2.471 20 0 CEADMP CCOC1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000639233616 371127384 /nfs/dbraw/zinc/12/73/84/371127384.db2.gz MBLOMOJAUWKLEB-QRFUTXMCSA-N 2 1 252.402 2.016 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCOC2)[C@H](C)C1 ZINC000247969898 371152061 /nfs/dbraw/zinc/15/20/61/371152061.db2.gz HFJBHWWHBZIVNU-NCOADZHNSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cncc(F)c1 ZINC000247998950 371153490 /nfs/dbraw/zinc/15/34/90/371153490.db2.gz KEWAQEFQCDQPFJ-BBRMVZONSA-N 2 1 295.402 2.108 20 0 CEADMP Cn1nc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000248567442 371213049 /nfs/dbraw/zinc/21/30/49/371213049.db2.gz PLLSVVFFVPRXEH-CABCVRRESA-N 2 1 298.434 2.332 20 0 CEADMP CCOC(C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1)OCC ZINC000248633763 371227803 /nfs/dbraw/zinc/22/78/03/371227803.db2.gz UHBIYOPCADFRFX-KBPBESRZSA-N 2 1 281.400 2.165 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccn1 ZINC000639346685 371259297 /nfs/dbraw/zinc/25/92/97/371259297.db2.gz IENJYSWUFIFYDJ-GDBMZVCRSA-N 2 1 291.439 2.343 20 0 CEADMP FC(F)(F)CC[NH+]1CCC(NCC[NH+]2CCCC2)CC1 ZINC000358806285 371229611 /nfs/dbraw/zinc/22/96/11/371229611.db2.gz YEZCIJUIAWGFMJ-UHFFFAOYSA-N 2 1 293.377 2.089 20 0 CEADMP CC[C@]1(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000248690498 371235272 /nfs/dbraw/zinc/23/52/72/371235272.db2.gz ASMSNXFPLFFDHY-RHSMWYFYSA-N 2 1 295.471 2.145 20 0 CEADMP C(C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C[C@H]1CCO1 ZINC000639338731 371249879 /nfs/dbraw/zinc/24/98/79/371249879.db2.gz VLFOAXNCVSIINN-CVEARBPZSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCCCO2)CC[N@H+]1C ZINC000248898910 371267006 /nfs/dbraw/zinc/26/70/06/371267006.db2.gz WAWDVAYIQZTVPH-RBSFLKMASA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(CCC[NH+]3CCCCC3)CC[C@H]21 ZINC000249462946 371323547 /nfs/dbraw/zinc/32/35/47/371323547.db2.gz RGXBLHIZWPTVLO-IAGOWNOFSA-N 2 1 279.472 2.279 20 0 CEADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C(C)(C)C)n1 ZINC000250592657 371387498 /nfs/dbraw/zinc/38/74/98/371387498.db2.gz MWWHCBNOWPUVJI-CABCVRRESA-N 2 1 290.455 2.434 20 0 CEADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C(C)(C)C)n1 ZINC000250592657 371387502 /nfs/dbraw/zinc/38/75/02/371387502.db2.gz MWWHCBNOWPUVJI-CABCVRRESA-N 2 1 290.455 2.434 20 0 CEADMP C[C@H]1C[N@@H+](CCCOc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251886700 371421776 /nfs/dbraw/zinc/42/17/76/371421776.db2.gz VFMFLWLMYMVRNH-SWLSCSKDSA-N 2 1 266.360 2.264 20 0 CEADMP CC1CC[NH+](CCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000251591965 371407869 /nfs/dbraw/zinc/40/78/69/371407869.db2.gz FSPAQPLLFYQYCY-IRXDYDNUSA-N 2 1 279.472 2.325 20 0 CEADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000359215142 371378709 /nfs/dbraw/zinc/37/87/09/371378709.db2.gz QOGPXBUAUYDAAY-KRWDZBQOSA-N 3 1 279.472 2.184 20 0 CEADMP COc1ccc(CC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252864911 371484429 /nfs/dbraw/zinc/48/44/29/371484429.db2.gz PLINKZJHJUODEP-XIRDDKMYSA-N 2 1 274.408 2.297 20 0 CEADMP C([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCSCC1 ZINC000252938040 371489857 /nfs/dbraw/zinc/48/98/57/371489857.db2.gz HJSGPXYSPIYIFV-ZIAGYGMSSA-N 2 1 254.443 2.346 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCSCC1 ZINC000252938040 371489862 /nfs/dbraw/zinc/48/98/62/371489862.db2.gz HJSGPXYSPIYIFV-ZIAGYGMSSA-N 2 1 254.443 2.346 20 0 CEADMP C([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000252546382 371454320 /nfs/dbraw/zinc/45/43/20/371454320.db2.gz KMNGTBAPLIGJDM-LSDHHAIUSA-N 2 1 252.402 2.020 20 0 CEADMP C([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000252546382 371454323 /nfs/dbraw/zinc/45/43/23/371454323.db2.gz KMNGTBAPLIGJDM-LSDHHAIUSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[C@H]1C ZINC000252562017 371456678 /nfs/dbraw/zinc/45/66/78/371456678.db2.gz WRHBTFYYLKGSBE-CWVYHPPDSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)[C@H]1C ZINC000252562017 371456683 /nfs/dbraw/zinc/45/66/83/371456683.db2.gz WRHBTFYYLKGSBE-CWVYHPPDSA-N 2 1 266.429 2.264 20 0 CEADMP C([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCSCC1 ZINC000252938038 371490594 /nfs/dbraw/zinc/49/05/94/371490594.db2.gz HJSGPXYSPIYIFV-UONOGXRCSA-N 2 1 254.443 2.346 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1CCSCC1 ZINC000252938038 371490598 /nfs/dbraw/zinc/49/05/98/371490598.db2.gz HJSGPXYSPIYIFV-UONOGXRCSA-N 2 1 254.443 2.346 20 0 CEADMP Cc1noc(C)c1C(C)(C)[NH2+]CCc1c[nH+]cn1C ZINC000639643774 371463100 /nfs/dbraw/zinc/46/31/00/371463100.db2.gz IEFYUFDHVYMVLN-UHFFFAOYSA-N 2 1 262.357 2.092 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000252699545 371469354 /nfs/dbraw/zinc/46/93/54/371469354.db2.gz USFZYUWZOMJXMJ-HIFRSBDPSA-N 2 1 262.397 2.255 20 0 CEADMP CC(C)OCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682406 371491295 /nfs/dbraw/zinc/49/12/95/371491295.db2.gz WFZUCHZDOGXDOL-UHFFFAOYSA-N 2 1 263.385 2.019 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000252711802 371472299 /nfs/dbraw/zinc/47/22/99/371472299.db2.gz KQIHPCRMIDDOQR-DZGCQCFKSA-N 2 1 290.407 2.278 20 0 CEADMP Cc1ncsc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252839147 371480991 /nfs/dbraw/zinc/48/09/91/371480991.db2.gz ASEMXYSNRBBWFG-SDDRHHMPSA-N 2 1 251.399 2.011 20 0 CEADMP CC[NH+](CC)CCCN1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000639747387 371538865 /nfs/dbraw/zinc/53/88/65/371538865.db2.gz SPHVMPLJOBITNN-OAHLLOKOSA-N 2 1 269.477 2.380 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756640 371546104 /nfs/dbraw/zinc/54/61/04/371546104.db2.gz ZZQIMCQRHKAQHY-HNNXBMFYSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCC[C@@H]3CCOC3)C2)CC1 ZINC000639755164 371546256 /nfs/dbraw/zinc/54/62/56/371546256.db2.gz HAPCMTMVUJBARU-OAHLLOKOSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CCC2(CC[N@H+](Cc3nc(C(C)(C)C)no3)C2)CC1 ZINC000639764313 371550742 /nfs/dbraw/zinc/55/07/42/371550742.db2.gz VAFLGSYMMBYQSF-UHFFFAOYSA-N 2 1 292.427 2.285 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3nc(C(C)(C)C)no3)C2)CC1 ZINC000639764313 371550744 /nfs/dbraw/zinc/55/07/44/371550744.db2.gz VAFLGSYMMBYQSF-UHFFFAOYSA-N 2 1 292.427 2.285 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCc2ccccc2)C1 ZINC000639765284 371552394 /nfs/dbraw/zinc/55/23/94/371552394.db2.gz XYVFFYFQLQMOBG-QGZVFWFLSA-N 2 1 276.424 2.008 20 0 CEADMP COc1ccc(C)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257638630 371614524 /nfs/dbraw/zinc/61/45/24/371614524.db2.gz AFWGHFCPFYFVQJ-MRXNPFEDSA-N 2 1 260.381 2.189 20 0 CEADMP COc1ccc(C)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257638630 371614529 /nfs/dbraw/zinc/61/45/29/371614529.db2.gz AFWGHFCPFYFVQJ-MRXNPFEDSA-N 2 1 260.381 2.189 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+]Cc1ccccc1Br ZINC000258812115 371618880 /nfs/dbraw/zinc/61/88/80/371618880.db2.gz SNGAESOKEQRSAV-VIFPVBQESA-N 2 1 257.175 2.134 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCCC2 ZINC000361011811 371597575 /nfs/dbraw/zinc/59/75/75/371597575.db2.gz VTCRMLRYYKYHHU-ZIAGYGMSSA-N 2 1 288.439 2.015 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCCC2 ZINC000361011811 371597584 /nfs/dbraw/zinc/59/75/84/371597584.db2.gz VTCRMLRYYKYHHU-ZIAGYGMSSA-N 2 1 288.439 2.015 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000261603657 371672368 /nfs/dbraw/zinc/67/23/68/371672368.db2.gz QWAFHYUTWYNLDI-CQSZACIVSA-N 2 1 270.323 2.459 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000259145829 371623037 /nfs/dbraw/zinc/62/30/37/371623037.db2.gz UWDWTRUOBKTYGJ-NXEZZACHSA-N 2 1 275.215 2.480 20 0 CEADMP C[C@H]([NH3+])[C@H](C)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261551077 371644006 /nfs/dbraw/zinc/64/40/06/371644006.db2.gz QAOHFOWIGPWLPM-QBYUYEEZSA-N 2 1 275.440 2.222 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000261559509 371647281 /nfs/dbraw/zinc/64/72/81/371647281.db2.gz UDEBSPJYWSDRGL-DOMZBBRYSA-N 2 1 255.365 2.404 20 0 CEADMP COCc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261573964 371656157 /nfs/dbraw/zinc/65/61/57/371656157.db2.gz AXIREKMDAXELDB-JKSUJKDBSA-N 2 1 260.381 2.017 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261573964 371656162 /nfs/dbraw/zinc/65/61/62/371656162.db2.gz AXIREKMDAXELDB-JKSUJKDBSA-N 2 1 260.381 2.017 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261575346 371657391 /nfs/dbraw/zinc/65/73/91/371657391.db2.gz BMSZXWJHXWSUIP-GOEBONIOSA-N 2 1 260.381 2.058 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261575346 371657395 /nfs/dbraw/zinc/65/73/95/371657395.db2.gz BMSZXWJHXWSUIP-GOEBONIOSA-N 2 1 260.381 2.058 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983577 371711414 /nfs/dbraw/zinc/71/14/14/371711414.db2.gz JTCLASJIMCVEJL-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000261751490 371720069 /nfs/dbraw/zinc/72/00/69/371720069.db2.gz CFEZTCNMAMLCCA-MRXNPFEDSA-N 2 1 276.428 2.097 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC000261751490 371720077 /nfs/dbraw/zinc/72/00/77/371720077.db2.gz CFEZTCNMAMLCCA-MRXNPFEDSA-N 2 1 276.428 2.097 20 0 CEADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000261795850 371734173 /nfs/dbraw/zinc/73/41/73/371734173.db2.gz GMWZIKGTXPSRAG-CYBMUJFWSA-N 2 1 275.396 2.074 20 0 CEADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000261795850 371734178 /nfs/dbraw/zinc/73/41/78/371734178.db2.gz GMWZIKGTXPSRAG-CYBMUJFWSA-N 2 1 275.396 2.074 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261802681 371735849 /nfs/dbraw/zinc/73/58/49/371735849.db2.gz YXBSTRBRQQEWEO-LSDHHAIUSA-N 2 1 290.407 2.148 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261802681 371735854 /nfs/dbraw/zinc/73/58/54/371735854.db2.gz YXBSTRBRQQEWEO-LSDHHAIUSA-N 2 1 290.407 2.148 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000640016073 371736602 /nfs/dbraw/zinc/73/66/02/371736602.db2.gz RVJFPDLLSCPUHQ-KRWDZBQOSA-N 2 1 290.451 2.396 20 0 CEADMP Cc1cc(C)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1C ZINC000261807944 371737170 /nfs/dbraw/zinc/73/71/70/371737170.db2.gz ZKHVJCBINVMROO-SFHVURJKSA-N 2 1 287.451 2.091 20 0 CEADMP CC(C)([NH3+])C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000261646186 371690745 /nfs/dbraw/zinc/69/07/45/371690745.db2.gz APOJEESBEWVQJW-UHFFFAOYSA-N 2 1 276.424 2.447 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000261869452 371754458 /nfs/dbraw/zinc/75/44/58/371754458.db2.gz OPMVGPPAOYKUKA-QGZVFWFLSA-N 2 1 274.408 2.095 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000261914625 371768984 /nfs/dbraw/zinc/76/89/84/371768984.db2.gz JQTWDASHROJHSK-ZDUSSCGKSA-N 2 1 262.397 2.428 20 0 CEADMP COc1cccc2c1CC[N@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000261917349 371770752 /nfs/dbraw/zinc/77/07/52/371770752.db2.gz ZQWYZLXGXZIESB-INIZCTEOSA-N 2 1 260.381 2.053 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000261917349 371770758 /nfs/dbraw/zinc/77/07/58/371770758.db2.gz ZQWYZLXGXZIESB-INIZCTEOSA-N 2 1 260.381 2.053 20 0 CEADMP c1ccc2nc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)ccc2c1 ZINC000261816214 371741749 /nfs/dbraw/zinc/74/17/49/371741749.db2.gz SVQWGOYJTKZJJG-ZBFHGGJFSA-N 2 1 267.376 2.419 20 0 CEADMP c1ccc2nc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)ccc2c1 ZINC000261816214 371741757 /nfs/dbraw/zinc/74/17/57/371741757.db2.gz SVQWGOYJTKZJJG-ZBFHGGJFSA-N 2 1 267.376 2.419 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000261998076 371794771 /nfs/dbraw/zinc/79/47/71/371794771.db2.gz TVBBLCHSTRHLPI-HIFRSBDPSA-N 2 1 276.428 2.097 20 0 CEADMP COCC[C@@H]1CCCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262005479 371797846 /nfs/dbraw/zinc/79/78/46/371797846.db2.gz LUBXHPRYTIQSNM-LSDHHAIUSA-N 2 1 254.418 2.125 20 0 CEADMP CCc1cccc(F)c1C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000262014944 371799397 /nfs/dbraw/zinc/79/93/97/371799397.db2.gz VPKJIJNDELLARP-LBPRGKRZSA-N 2 1 250.361 2.429 20 0 CEADMP CCc1cccc(F)c1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000262014944 371799401 /nfs/dbraw/zinc/79/94/01/371799401.db2.gz VPKJIJNDELLARP-LBPRGKRZSA-N 2 1 250.361 2.429 20 0 CEADMP CCOC(=O)C1CCC([N@@H+](CC)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262020807 371801160 /nfs/dbraw/zinc/80/11/60/371801160.db2.gz NFDWBAXBKTVXDQ-DQPZFDDXSA-N 2 1 296.455 2.430 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000262050304 371813123 /nfs/dbraw/zinc/81/31/23/371813123.db2.gz ZOAHUMMJCBGKTR-ZDUSSCGKSA-N 2 1 251.399 2.191 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000262050304 371813133 /nfs/dbraw/zinc/81/31/33/371813133.db2.gz ZOAHUMMJCBGKTR-ZDUSSCGKSA-N 2 1 251.399 2.191 20 0 CEADMP C[C@@H](CNC(=O)CCCCCC[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000262210734 371837699 /nfs/dbraw/zinc/83/76/99/371837699.db2.gz XYFZSMXZMAVWQA-GJZGRUSLSA-N 2 1 283.460 2.132 20 0 CEADMP Cc1ccc(C[N@H+](CCO)CCCCn2cc[nH+]c2C)o1 ZINC000361520670 371895190 /nfs/dbraw/zinc/89/51/90/371895190.db2.gz VOIFVOBXUYNMRA-UHFFFAOYSA-N 2 1 291.395 2.368 20 0 CEADMP Cc1ccc(C[N@@H+](CCO)CCCCn2cc[nH+]c2C)o1 ZINC000361520670 371895198 /nfs/dbraw/zinc/89/51/98/371895198.db2.gz VOIFVOBXUYNMRA-UHFFFAOYSA-N 2 1 291.395 2.368 20 0 CEADMP C[N@H+]1CCC[C@@H](CNC2=[NH+]CCCN2)[C@H]1c1cccs1 ZINC000262700806 371898430 /nfs/dbraw/zinc/89/84/30/371898430.db2.gz YWHYQYSPEJIKPB-JSGCOSHPSA-N 2 1 292.452 2.070 20 0 CEADMP CCN(CC[NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000262913259 371923177 /nfs/dbraw/zinc/92/31/77/371923177.db2.gz FZPIMBOOYBOTGE-HOCLYGCPSA-N 2 1 261.413 2.103 20 0 CEADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@H]1C=CCCC1 ZINC000344132099 217065591 /nfs/dbraw/zinc/06/55/91/217065591.db2.gz OPWMCKMJEBNTLL-KRWDZBQOSA-N 2 1 279.472 2.445 20 0 CEADMP CCC1(CC)[C@@H]([NH2+]CCn2cc[nH+]c2C)C[C@@H]1OC ZINC000344156527 217076629 /nfs/dbraw/zinc/07/66/29/217076629.db2.gz AFMYHTANUJNVLC-KBPBESRZSA-N 2 1 265.401 2.375 20 0 CEADMP CCCCNC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532017 372022326 /nfs/dbraw/zinc/02/23/26/372022326.db2.gz ORLAWHGEGDGVIQ-UHFFFAOYSA-N 2 1 283.460 2.101 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCOC[C@H]1CCCO1 ZINC000640530725 372022469 /nfs/dbraw/zinc/02/24/69/372022469.db2.gz HHWIBEMAJJWUCT-QGZVFWFLSA-N 2 1 298.471 2.380 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000344186249 217091228 /nfs/dbraw/zinc/09/12/28/217091228.db2.gz DLUFGURZGHXYRT-HRCADAONSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000344186249 217091231 /nfs/dbraw/zinc/09/12/31/217091231.db2.gz DLUFGURZGHXYRT-HRCADAONSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000344186249 217091233 /nfs/dbraw/zinc/09/12/33/217091233.db2.gz DLUFGURZGHXYRT-HRCADAONSA-N 2 1 267.461 2.037 20 0 CEADMP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000344186249 217091237 /nfs/dbraw/zinc/09/12/37/217091237.db2.gz DLUFGURZGHXYRT-HRCADAONSA-N 2 1 267.461 2.037 20 0 CEADMP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000344186249 217091238 /nfs/dbraw/zinc/09/12/38/217091238.db2.gz DLUFGURZGHXYRT-HRCADAONSA-N 2 1 267.461 2.037 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000344197972 217095673 /nfs/dbraw/zinc/09/56/73/217095673.db2.gz HDNFZDBAIZJYAH-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344197972 217095676 /nfs/dbraw/zinc/09/56/76/217095676.db2.gz HDNFZDBAIZJYAH-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344197972 217095679 /nfs/dbraw/zinc/09/56/79/217095679.db2.gz HDNFZDBAIZJYAH-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C(F)F ZINC000361967343 372150021 /nfs/dbraw/zinc/15/00/21/372150021.db2.gz SHBKPULLJOMIDT-VHDGCEQUSA-N 2 1 298.377 2.113 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C(F)F ZINC000361967343 372150027 /nfs/dbraw/zinc/15/00/27/372150027.db2.gz SHBKPULLJOMIDT-VHDGCEQUSA-N 2 1 298.377 2.113 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000268782800 372220593 /nfs/dbraw/zinc/22/05/93/372220593.db2.gz CPSBTEFITSHISM-YUNKPMOVSA-N 2 1 291.420 2.280 20 0 CEADMP COC(=O)CCC[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362105385 372225346 /nfs/dbraw/zinc/22/53/46/372225346.db2.gz HDHHCXZWVDTXQD-AWEZNQCLSA-N 2 1 294.439 2.136 20 0 CEADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000268808808 372233972 /nfs/dbraw/zinc/23/39/72/372233972.db2.gz DHUNESOFQGCYMF-RDJZCZTQSA-N 2 1 276.424 2.411 20 0 CEADMP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)s1 ZINC000268815854 372238180 /nfs/dbraw/zinc/23/81/80/372238180.db2.gz FYNPPQJELJPQOZ-QWHCGFSZSA-N 2 1 282.453 2.418 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCO)CC[N@@H+]1Cc1ccccc1 ZINC000268699123 372185904 /nfs/dbraw/zinc/18/59/04/372185904.db2.gz DQGNYCANQDLPRR-GOEBONIOSA-N 2 1 262.397 2.012 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCO)CC[N@H+]1Cc1ccccc1 ZINC000268699123 372185909 /nfs/dbraw/zinc/18/59/09/372185909.db2.gz DQGNYCANQDLPRR-GOEBONIOSA-N 2 1 262.397 2.012 20 0 CEADMP CC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268730513 372198402 /nfs/dbraw/zinc/19/84/02/372198402.db2.gz STRJSNHBWLWQBK-UAGQMJEPSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268730513 372198412 /nfs/dbraw/zinc/19/84/12/372198412.db2.gz STRJSNHBWLWQBK-UAGQMJEPSA-N 2 1 276.424 2.400 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC000344301214 217141758 /nfs/dbraw/zinc/14/17/58/217141758.db2.gz RMKSRQOBSNTKFQ-CYBMUJFWSA-N 2 1 262.401 2.377 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000362180278 372258725 /nfs/dbraw/zinc/25/87/25/372258725.db2.gz PMXQPISEYPYPTF-HUUCEWRRSA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000362180278 372258732 /nfs/dbraw/zinc/25/87/32/372258732.db2.gz PMXQPISEYPYPTF-HUUCEWRRSA-N 2 1 263.385 2.225 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344305417 217142213 /nfs/dbraw/zinc/14/22/13/217142213.db2.gz XOPZERUIFFFNPP-CYBMUJFWSA-N 2 1 252.402 2.043 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(-n3cncn3)c2)[C@@H](C)C1 ZINC000268878352 372269787 /nfs/dbraw/zinc/26/97/87/372269787.db2.gz HKQCGAVSQXWGIO-YOEHRIQHSA-N 2 1 299.422 2.087 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000269125723 372349519 /nfs/dbraw/zinc/34/95/19/372349519.db2.gz CROUEAPNDFBWRP-MRXNPFEDSA-N 2 1 289.423 2.010 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000269129693 372350644 /nfs/dbraw/zinc/35/06/44/372350644.db2.gz IPQSSHXOQPOZIF-UHFFFAOYSA-N 2 1 273.384 2.184 20 0 CEADMP CC(C)C[N@H+]1CCO[C@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000362827527 372538836 /nfs/dbraw/zinc/53/88/36/372538836.db2.gz RNVYTMVOVLRUGH-OAHLLOKOSA-N 2 1 299.418 2.425 20 0 CEADMP C[C@H](CNCc1ccncc1N)[N@H+](C)Cc1ccccc1 ZINC000641720867 372656737 /nfs/dbraw/zinc/65/67/37/372656737.db2.gz VFYBHTVHINJVTM-CQSZACIVSA-N 2 1 284.407 2.274 20 0 CEADMP CC[C@H](Cn1cncn1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000353391541 220061529 /nfs/dbraw/zinc/06/15/29/220061529.db2.gz XNDNIUJYIOMREG-JKSUJKDBSA-N 2 1 293.459 2.301 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000641798732 372740499 /nfs/dbraw/zinc/74/04/99/372740499.db2.gz HRMGZFYAZHSXKZ-YPMHNXCESA-N 2 1 265.401 2.352 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000641798732 372740502 /nfs/dbraw/zinc/74/05/02/372740502.db2.gz HRMGZFYAZHSXKZ-YPMHNXCESA-N 2 1 265.401 2.352 20 0 CEADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803049 372747728 /nfs/dbraw/zinc/74/77/28/372747728.db2.gz CODLJIPLAWIUAD-GDLCADMTSA-N 2 1 293.386 2.177 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c(F)c1 ZINC000641803068 372748865 /nfs/dbraw/zinc/74/88/65/372748865.db2.gz CVVDETIWMYXNMX-BPNCWPANSA-N 2 1 293.386 2.177 20 0 CEADMP CC(C)c1ccccc1NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641804403 372750024 /nfs/dbraw/zinc/75/00/24/372750024.db2.gz IJISFZQHHNJEAN-HUUCEWRRSA-N 2 1 289.423 2.464 20 0 CEADMP C[C@@H]1CC[C@H](CN)[N@@H+](CCCC2CC[NH2+]CC2)[C@H]1C ZINC000641806269 372751648 /nfs/dbraw/zinc/75/16/48/372751648.db2.gz IKMRITBZXTXVIJ-IJEWVQPXSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])N(CCCC2CC[NH2+]CC2)[C@H]1C ZINC000641806269 372751654 /nfs/dbraw/zinc/75/16/54/372751654.db2.gz IKMRITBZXTXVIJ-IJEWVQPXSA-N 2 1 267.461 2.214 20 0 CEADMP C([NH2+][C@H]1CCC12CCCC2)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365059888 372801958 /nfs/dbraw/zinc/80/19/58/372801958.db2.gz BUNWMTRCQNYNQZ-KFWWJZLASA-N 2 1 264.413 2.162 20 0 CEADMP C([NH2+][C@H]1CCC12CCCC2)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365059888 372801965 /nfs/dbraw/zinc/80/19/65/372801965.db2.gz BUNWMTRCQNYNQZ-KFWWJZLASA-N 2 1 264.413 2.162 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH2+][C@@H]1CC ZINC000353433868 220081439 /nfs/dbraw/zinc/08/14/39/220081439.db2.gz VFGWFWXUKAPIEB-OWCLPIDISA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000353452076 220091029 /nfs/dbraw/zinc/09/10/29/220091029.db2.gz QLQOVORIAOCDCP-CVEARBPZSA-N 2 1 295.471 2.001 20 0 CEADMP COCCCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000365549011 372890996 /nfs/dbraw/zinc/89/09/96/372890996.db2.gz QQBZJFFLCLXGTB-PMPSAXMXSA-N 2 1 266.429 2.219 20 0 CEADMP COCCCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365549011 372891005 /nfs/dbraw/zinc/89/10/05/372891005.db2.gz QQBZJFFLCLXGTB-PMPSAXMXSA-N 2 1 266.429 2.219 20 0 CEADMP COCCCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365549011 372891017 /nfs/dbraw/zinc/89/10/17/372891017.db2.gz QQBZJFFLCLXGTB-PMPSAXMXSA-N 2 1 266.429 2.219 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000344676556 217272221 /nfs/dbraw/zinc/27/22/21/217272221.db2.gz ULTLBZMRYXRRMZ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344676556 217272222 /nfs/dbraw/zinc/27/22/22/217272222.db2.gz ULTLBZMRYXRRMZ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344676556 217272223 /nfs/dbraw/zinc/27/22/23/217272223.db2.gz ULTLBZMRYXRRMZ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)C[C@@H]1CCOC1 ZINC000643056769 372936929 /nfs/dbraw/zinc/93/69/29/372936929.db2.gz BEQYOACDDHCMPQ-GOEBONIOSA-N 2 1 292.423 2.096 20 0 CEADMP CCO[C@H]1CCC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000643057191 372939150 /nfs/dbraw/zinc/93/91/50/372939150.db2.gz WYDFXRFICQFJQZ-WBVHZDCISA-N 2 1 292.423 2.238 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000353509546 220126099 /nfs/dbraw/zinc/12/60/99/220126099.db2.gz HLOAXCJEAXEUPD-OAGGEKHMSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@@H+](CCc1nccs1)CCn1cc[nH+]c1C ZINC000270874386 372991731 /nfs/dbraw/zinc/99/17/31/372991731.db2.gz MJTSSYUTUYWXJN-UHFFFAOYSA-N 2 1 264.398 2.213 20 0 CEADMP CC[N@H+](CCc1nccs1)CCn1cc[nH+]c1C ZINC000270874386 372991736 /nfs/dbraw/zinc/99/17/36/372991736.db2.gz MJTSSYUTUYWXJN-UHFFFAOYSA-N 2 1 264.398 2.213 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)CCOCc1ccccc1 ZINC000270946219 373026355 /nfs/dbraw/zinc/02/63/55/373026355.db2.gz ZOBOLDZCKJZGJM-UHFFFAOYSA-N 2 1 273.380 2.340 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)CCOCc1ccccc1 ZINC000270946219 373026365 /nfs/dbraw/zinc/02/63/65/373026365.db2.gz ZOBOLDZCKJZGJM-UHFFFAOYSA-N 2 1 273.380 2.340 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000353534811 220142570 /nfs/dbraw/zinc/14/25/70/220142570.db2.gz UUMFWKDSXNVDLK-QLFBSQMISA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000353534811 220142574 /nfs/dbraw/zinc/14/25/74/220142574.db2.gz UUMFWKDSXNVDLK-QLFBSQMISA-N 2 1 299.422 2.401 20 0 CEADMP CN(CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000366479500 373062340 /nfs/dbraw/zinc/06/23/40/373062340.db2.gz HABYBRLVEYVBHO-KRWDZBQOSA-N 2 1 273.424 2.150 20 0 CEADMP CN(CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000366479500 373062353 /nfs/dbraw/zinc/06/23/53/373062353.db2.gz HABYBRLVEYVBHO-KRWDZBQOSA-N 2 1 273.424 2.150 20 0 CEADMP CN(CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000366479500 373062364 /nfs/dbraw/zinc/06/23/64/373062364.db2.gz HABYBRLVEYVBHO-KRWDZBQOSA-N 2 1 273.424 2.150 20 0 CEADMP COc1ncccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353552118 220152520 /nfs/dbraw/zinc/15/25/20/220152520.db2.gz XERURUYUMOJOCB-ARFHVFGLSA-N 2 1 289.423 2.095 20 0 CEADMP COCC1(C[N@@H+](C)CC2CC[NH+](C)CC2)CCC1 ZINC000643371214 373098587 /nfs/dbraw/zinc/09/85/87/373098587.db2.gz GMMAJNCDPCPJSH-UHFFFAOYSA-N 2 1 254.418 2.077 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)nc1 ZINC000643427634 373115374 /nfs/dbraw/zinc/11/53/74/373115374.db2.gz GJWBWYKIVFBLFX-IHRRRGAJSA-N 2 1 277.412 2.286 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)nc1 ZINC000643427634 373115380 /nfs/dbraw/zinc/11/53/80/373115380.db2.gz GJWBWYKIVFBLFX-IHRRRGAJSA-N 2 1 277.412 2.286 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc3ccccn23)C[C@H]1C[NH3+] ZINC000643427595 373115396 /nfs/dbraw/zinc/11/53/96/373115396.db2.gz KLQBRKIYSUVSCU-HZSPNIEDSA-N 2 1 272.396 2.140 20 0 CEADMP C[N@@H+]([C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1C=CCCC1 ZINC000367622823 373166931 /nfs/dbraw/zinc/16/69/31/373166931.db2.gz KKNXWPXBUBRVGX-DOTOQJQBSA-N 2 1 277.456 2.195 20 0 CEADMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@@H]1CCCO1)CC2)C1CC1 ZINC000367209586 373143123 /nfs/dbraw/zinc/14/31/23/373143123.db2.gz SBFDOJIKKBAXCW-ZBFHGGJFSA-N 2 1 278.440 2.362 20 0 CEADMP CSC1(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000368019172 373210736 /nfs/dbraw/zinc/21/07/36/373210736.db2.gz KZIXYXKOJNGNIJ-MELADBBJSA-N 2 1 284.469 2.066 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@@H](C)[NH3+])ccc1SC ZINC000643526925 373182456 /nfs/dbraw/zinc/18/24/56/373182456.db2.gz BHOWCSSDRJTLCF-ZJUUUORDSA-N 2 1 254.399 2.415 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@H](C)[NH3+])ccc1OC(F)F ZINC000643526202 373183436 /nfs/dbraw/zinc/18/34/36/373183436.db2.gz UKCADOCSNLTFOV-DTWKUNHWSA-N 2 1 274.311 2.294 20 0 CEADMP COCCC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(F)cc1 ZINC000643527882 373185514 /nfs/dbraw/zinc/18/55/14/373185514.db2.gz UPWMJWLISJTTLU-BXUZGUMPSA-N 2 1 254.349 2.230 20 0 CEADMP C[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000643529651 373187194 /nfs/dbraw/zinc/18/71/94/373187194.db2.gz JHBHUOJAPAECGJ-OWLYRPNTSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)C1C[NH2+]C1 ZINC000643533102 373190182 /nfs/dbraw/zinc/19/01/82/373190182.db2.gz YTVAVXXZOUFZNI-HZMBPMFUSA-N 2 1 275.396 2.069 20 0 CEADMP CC(C)CN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000643548048 373206506 /nfs/dbraw/zinc/20/65/06/373206506.db2.gz MHRIJUHJZZWFLQ-YQQAZPJKSA-N 2 1 279.472 2.085 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000368404582 373237287 /nfs/dbraw/zinc/23/72/87/373237287.db2.gz WTKQVISHBGKITH-OAGGEKHMSA-N 2 1 276.424 2.186 20 0 CEADMP CC[C@@](C)(CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000272170468 373339096 /nfs/dbraw/zinc/33/90/96/373339096.db2.gz WHNLMGLONGRUTL-KRWDZBQOSA-N 2 1 276.424 2.402 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)[C@H]2CCC[C@H]21 ZINC000353610018 220188480 /nfs/dbraw/zinc/18/84/80/220188480.db2.gz VNNHOOFQBDXDNV-GRYCIOLGSA-N 2 1 258.356 2.494 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000132260067 220205612 /nfs/dbraw/zinc/20/56/12/220205612.db2.gz JLTZGJNMLBGANA-CJNGLKHVSA-N 2 1 262.397 2.168 20 0 CEADMP CC(C)[NH2+]CCN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370305720 373630382 /nfs/dbraw/zinc/63/03/82/373630382.db2.gz NPEKKDGWKVDETG-HNNXBMFYSA-N 2 1 290.455 2.397 20 0 CEADMP Cc1cc(N2CC[NH+](Cc3cccnc3)CC2)cc[nH+]1 ZINC000274369760 373896914 /nfs/dbraw/zinc/89/69/14/373896914.db2.gz PUHRJHINEVTFDY-UHFFFAOYSA-N 2 1 268.364 2.107 20 0 CEADMP Cc1cn2c([nH+]1)CC[C@@H](N[C@H](C)c1nc(C(C)C)no1)C2 ZINC000371490189 373899908 /nfs/dbraw/zinc/89/99/08/373899908.db2.gz CZYJXXRGENCNQB-VXGBXAGGSA-N 2 1 289.383 2.364 20 0 CEADMP Cc1ccncc1CCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000289501299 197379487 /nfs/dbraw/zinc/37/94/87/197379487.db2.gz DMAPQONLMQIBEQ-OAHLLOKOSA-N 2 1 261.413 2.206 20 0 CEADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000275255343 374199397 /nfs/dbraw/zinc/19/93/97/374199397.db2.gz JBAWECHPQNPSMZ-CZUORRHYSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000275255343 374199405 /nfs/dbraw/zinc/19/94/05/374199405.db2.gz JBAWECHPQNPSMZ-CZUORRHYSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000275255343 374199410 /nfs/dbraw/zinc/19/94/10/374199410.db2.gz JBAWECHPQNPSMZ-CZUORRHYSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000275255343 374199416 /nfs/dbraw/zinc/19/94/16/374199416.db2.gz JBAWECHPQNPSMZ-CZUORRHYSA-N 2 1 262.397 2.467 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC[C@H]3CCOC3)C2)C1 ZINC000645922865 374287785 /nfs/dbraw/zinc/28/77/85/374287785.db2.gz ZJDFFZGQXKXUGD-JKSUJKDBSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC[C@H]3CCOC3)C2)C1 ZINC000645922865 374287792 /nfs/dbraw/zinc/28/77/92/374287792.db2.gz ZJDFFZGQXKXUGD-JKSUJKDBSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC[C@H]3CCOC3)C2)C1 ZINC000645922865 374287795 /nfs/dbraw/zinc/28/77/95/374287795.db2.gz ZJDFFZGQXKXUGD-JKSUJKDBSA-N 2 1 266.429 2.221 20 0 CEADMP Cn1cncc1C[N@H+](C)[C@@H]1CCCc2cccnc21 ZINC000373635009 374395949 /nfs/dbraw/zinc/39/59/49/374395949.db2.gz BHABCCAUWGRTAS-CQSZACIVSA-N 2 1 256.353 2.325 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000277109925 374406007 /nfs/dbraw/zinc/40/60/07/374406007.db2.gz HAIOXSGKNVECMP-INIZCTEOSA-N 2 1 299.422 2.183 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000277109925 374406016 /nfs/dbraw/zinc/40/60/16/374406016.db2.gz HAIOXSGKNVECMP-INIZCTEOSA-N 2 1 299.422 2.183 20 0 CEADMP CC(C)CCNC(=O)[C@@H](C)N1CCC(c2c[nH]cn2)CC1 ZINC000374200847 374510342 /nfs/dbraw/zinc/51/03/42/374510342.db2.gz RWQGKKBLKGYHNQ-CYBMUJFWSA-N 2 1 292.427 2.140 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375350846 374652653 /nfs/dbraw/zinc/65/26/53/374652653.db2.gz ZRODHRCURQPYFV-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000376995951 374770729 /nfs/dbraw/zinc/77/07/29/374770729.db2.gz DQMBTDNUHVVOJG-BRWVUGGUSA-N 2 1 298.471 2.140 20 0 CEADMP C[C@H]1C[N@@H+](CCCCCF)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000377401652 374849042 /nfs/dbraw/zinc/84/90/42/374849042.db2.gz SQLCIJUWXRFYLL-HOTGVXAUSA-N 2 1 285.451 2.084 20 0 CEADMP Cc1cnn([C@@H]2CC[N@H+](CCCCn3cc[nH+]c3C)C2)c1 ZINC000377725412 374935326 /nfs/dbraw/zinc/93/53/26/374935326.db2.gz NQWJVRZHFCHVFR-MRXNPFEDSA-N 2 1 287.411 2.424 20 0 CEADMP Cc1cnn([C@@H]2CC[N@@H+](CCCCn3cc[nH+]c3C)C2)c1 ZINC000377725412 374935331 /nfs/dbraw/zinc/93/53/31/374935331.db2.gz NQWJVRZHFCHVFR-MRXNPFEDSA-N 2 1 287.411 2.424 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(C)c1cccc(-n2ccnc2C)n1 ZINC000378196697 375040044 /nfs/dbraw/zinc/04/00/44/375040044.db2.gz PPRRFIQVWYIPMM-OAHLLOKOSA-N 2 1 299.422 2.496 20 0 CEADMP CC[N@@H+]1CCC[C@@H]1CN(C)c1cccc(-n2cc[nH+]c2C)n1 ZINC000378196697 375040045 /nfs/dbraw/zinc/04/00/45/375040045.db2.gz PPRRFIQVWYIPMM-OAHLLOKOSA-N 2 1 299.422 2.496 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(C)c1cccc(-n2cc[nH+]c2C)n1 ZINC000378196697 375040048 /nfs/dbraw/zinc/04/00/48/375040048.db2.gz PPRRFIQVWYIPMM-OAHLLOKOSA-N 2 1 299.422 2.496 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N2CC[NH+](C(C)C)CC2)n1 ZINC000378192306 375038236 /nfs/dbraw/zinc/03/82/36/375038236.db2.gz SQPGDPHPRHATIJ-UHFFFAOYSA-N 2 1 285.395 2.106 20 0 CEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@@H]3CCCC[C@@H]3O)C2)c1 ZINC000378321697 375069491 /nfs/dbraw/zinc/06/94/91/375069491.db2.gz BHXCFATUZGKADV-XHSDSOJGSA-N 2 1 289.423 2.427 20 0 CEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@@H]3CCCC[C@@H]3O)C2)c1 ZINC000378321697 375069498 /nfs/dbraw/zinc/06/94/98/375069498.db2.gz BHXCFATUZGKADV-XHSDSOJGSA-N 2 1 289.423 2.427 20 0 CEADMP C[C@H](CCNC(=O)CCCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000379674397 375156624 /nfs/dbraw/zinc/15/66/24/375156624.db2.gz UHBIIVZCOQPIBT-OAHLLOKOSA-N 2 1 291.439 2.142 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CCC1 ZINC000378546265 375125153 /nfs/dbraw/zinc/12/51/53/375125153.db2.gz PXUUXQMQCMKJRI-OWCLPIDISA-N 2 1 296.455 2.035 20 0 CEADMP Cc1ccncc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000280382657 375190361 /nfs/dbraw/zinc/19/03/61/375190361.db2.gz UJYXJYYQJMEEAX-UHFFFAOYSA-N 2 1 291.439 2.369 20 0 CEADMP C[C@H](C[NH3+])[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000383019586 375197730 /nfs/dbraw/zinc/19/77/30/375197730.db2.gz OAWIJKOJSYVHCS-LLVKDONJSA-N 2 1 256.777 2.388 20 0 CEADMP C[C@H](C[NH3+])[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000383019586 375197735 /nfs/dbraw/zinc/19/77/35/375197735.db2.gz OAWIJKOJSYVHCS-LLVKDONJSA-N 2 1 256.777 2.388 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000387645319 375279878 /nfs/dbraw/zinc/27/98/78/375279878.db2.gz YMKKHSSLAJADNA-LSDHHAIUSA-N 2 1 297.487 2.391 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N[C@H](C)CC[NH+](C)C ZINC000280682829 375284260 /nfs/dbraw/zinc/28/42/60/375284260.db2.gz IODVMRAFYIRNCU-LLVKDONJSA-N 2 1 265.357 2.010 20 0 CEADMP C[C@@H](C[N@@H+](C)CCN1CC[NH2+]CC1)C1CCCCC1 ZINC000389376698 375303519 /nfs/dbraw/zinc/30/35/19/375303519.db2.gz FUGYXDORECQLKA-HNNXBMFYSA-N 2 1 267.461 2.040 20 0 CEADMP CCCC1(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCC1 ZINC000391999253 375319799 /nfs/dbraw/zinc/31/97/99/375319799.db2.gz XZAAEVHSBLGEJH-CQSZACIVSA-N 2 1 254.418 2.002 20 0 CEADMP CCCC1(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCC1 ZINC000391999253 375319804 /nfs/dbraw/zinc/31/98/04/375319804.db2.gz XZAAEVHSBLGEJH-CQSZACIVSA-N 2 1 254.418 2.002 20 0 CEADMP CCc1cc(N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)nc(C)[nH+]1 ZINC000397286778 375340188 /nfs/dbraw/zinc/34/01/88/375340188.db2.gz VASYWFRHWOXHCQ-WZRBSPASSA-N 2 1 262.401 2.157 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])CC(F)F)c2C1 ZINC000345793689 217704531 /nfs/dbraw/zinc/70/45/31/217704531.db2.gz KNYIZIWQVXPGNE-GFCCVEGCSA-N 2 1 297.349 2.333 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])CC(F)F)c2C1 ZINC000345793689 217704535 /nfs/dbraw/zinc/70/45/35/217704535.db2.gz KNYIZIWQVXPGNE-GFCCVEGCSA-N 2 1 297.349 2.333 20 0 CEADMP CC[N@H+]1CCN(c2cc[nH+]c3c(O)cccc23)C[C@H]1C ZINC000684580000 542037931 /nfs/dbraw/zinc/03/79/31/542037931.db2.gz UJLMPAJTUPYNEM-GFCCVEGCSA-N 2 1 271.364 2.471 20 0 CEADMP Cc1ccc2nc(CNC[C@H](C)[N@@H+](C)C3CC3)cn2c1 ZINC000283867489 375773487 /nfs/dbraw/zinc/77/34/87/375773487.db2.gz IMSYFELMYPKXLZ-ZDUSSCGKSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1ccc2nc(C[NH2+]C[C@H](C)N(C)C3CC3)cn2c1 ZINC000283867489 375773491 /nfs/dbraw/zinc/77/34/91/375773491.db2.gz IMSYFELMYPKXLZ-ZDUSSCGKSA-N 2 1 272.396 2.215 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)OCC2CC2)CC[N@H+]1C ZINC000414261920 375808143 /nfs/dbraw/zinc/80/81/43/375808143.db2.gz JMDIWDLEAZXDPX-GXTWGEPZSA-N 2 1 254.418 2.264 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414778571 375964092 /nfs/dbraw/zinc/96/40/92/375964092.db2.gz JCZAQVZEEQSLQC-CHWSQXEVSA-N 2 1 294.468 2.031 20 0 CEADMP COc1ccc(C[NH2+]C2CC[NH2+]CC2)c(OC(F)F)c1 ZINC000414788427 375971602 /nfs/dbraw/zinc/97/16/02/375971602.db2.gz MMQZTAMRCBBYLE-UHFFFAOYSA-N 2 1 286.322 2.138 20 0 CEADMP CCOc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1OC ZINC000414792098 375973543 /nfs/dbraw/zinc/97/35/43/375973543.db2.gz INXVGLUYPWIPTO-CYBMUJFWSA-N 2 1 266.385 2.167 20 0 CEADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC[NH3+])CC1 ZINC000414690899 375920547 /nfs/dbraw/zinc/92/05/47/375920547.db2.gz ITQIOXJTGDNABL-UHFFFAOYSA-N 3 1 275.440 2.179 20 0 CEADMP Cc1cnc(CC[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414704710 375932529 /nfs/dbraw/zinc/93/25/29/375932529.db2.gz KTXPRPBTBVYMFX-DGCLKSJQSA-N 2 1 267.442 2.314 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000414809322 375995281 /nfs/dbraw/zinc/99/52/81/375995281.db2.gz MBKBJOXYOWFASW-UHFFFAOYSA-N 2 1 282.384 2.017 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000414818625 376004471 /nfs/dbraw/zinc/00/44/71/376004471.db2.gz WGOMALIILIBQOT-LSDHHAIUSA-N 2 1 283.460 2.275 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000414800711 375984613 /nfs/dbraw/zinc/98/46/13/375984613.db2.gz IIOYGHZTGYBONM-UHFFFAOYSA-N 2 1 275.165 2.415 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000414802295 375987613 /nfs/dbraw/zinc/98/76/13/375987613.db2.gz VLGNZUQKOOZHCI-USXIJHARSA-N 2 1 275.440 2.080 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000414802295 375987619 /nfs/dbraw/zinc/98/76/19/375987619.db2.gz VLGNZUQKOOZHCI-USXIJHARSA-N 2 1 275.440 2.080 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](OCc2ccncc2)C1 ZINC000287748158 376307895 /nfs/dbraw/zinc/30/78/95/376307895.db2.gz LMNWLPFAEZZUEX-IRXDYDNUSA-N 2 1 289.423 2.157 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287748158 376307903 /nfs/dbraw/zinc/30/79/03/376307903.db2.gz LMNWLPFAEZZUEX-IRXDYDNUSA-N 2 1 289.423 2.157 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287748158 376307907 /nfs/dbraw/zinc/30/79/07/376307907.db2.gz LMNWLPFAEZZUEX-IRXDYDNUSA-N 2 1 289.423 2.157 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287847299 376327170 /nfs/dbraw/zinc/32/71/70/376327170.db2.gz WOEGSXQZOFCIMX-LSDHHAIUSA-N 2 1 299.422 2.260 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289425004 376394689 /nfs/dbraw/zinc/39/46/89/376394689.db2.gz IHGHXKMPRXPRTH-KRWDZBQOSA-N 2 1 296.418 2.329 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289425004 376394695 /nfs/dbraw/zinc/39/46/95/376394695.db2.gz IHGHXKMPRXPRTH-KRWDZBQOSA-N 2 1 296.418 2.329 20 0 CEADMP CCN1CC[C@H]2OCC[N@@H+](C[C@H]3CC=CCC3)[C@H]2C1 ZINC000556927904 376520338 /nfs/dbraw/zinc/52/03/38/376520338.db2.gz VXUJJKBHCFTAEK-HRCADAONSA-N 2 1 264.413 2.138 20 0 CEADMP C[C@H](CNC(=O)CCCC[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000556940500 376521818 /nfs/dbraw/zinc/52/18/18/376521818.db2.gz YPIJXPDLZNOLOS-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC000557612966 376569026 /nfs/dbraw/zinc/56/90/26/376569026.db2.gz AJJJTHAIUDJQKE-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000557612966 376569030 /nfs/dbraw/zinc/56/90/30/376569030.db2.gz AJJJTHAIUDJQKE-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000557612966 376569039 /nfs/dbraw/zinc/56/90/39/376569039.db2.gz AJJJTHAIUDJQKE-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000310006036 376612666 /nfs/dbraw/zinc/61/26/66/376612666.db2.gz VMBVDXXUQJPPNY-INMHGKMJSA-N 2 1 275.440 2.189 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000310006036 376612671 /nfs/dbraw/zinc/61/26/71/376612671.db2.gz VMBVDXXUQJPPNY-INMHGKMJSA-N 2 1 275.440 2.189 20 0 CEADMP CC(C)c1cc(N2CCC([C@@H](C)[NH3+])CC2)nc(N(C)C)[nH+]1 ZINC000420222134 376627294 /nfs/dbraw/zinc/62/72/94/376627294.db2.gz RKRHSNKLGXZPDY-GFCCVEGCSA-N 2 1 291.443 2.230 20 0 CEADMP COCc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000290301544 376725334 /nfs/dbraw/zinc/72/53/34/376725334.db2.gz BKEJIYYHHRXDQZ-BBRMVZONSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000290301544 376725339 /nfs/dbraw/zinc/72/53/39/376725339.db2.gz BKEJIYYHHRXDQZ-BBRMVZONSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)o1 ZINC000290301544 376725346 /nfs/dbraw/zinc/72/53/46/376725346.db2.gz BKEJIYYHHRXDQZ-BBRMVZONSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)o1 ZINC000290301544 376725350 /nfs/dbraw/zinc/72/53/50/376725350.db2.gz BKEJIYYHHRXDQZ-BBRMVZONSA-N 2 1 278.396 2.342 20 0 CEADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420383495 376682949 /nfs/dbraw/zinc/68/29/49/376682949.db2.gz QUGOZWKCSZIHEJ-RHSMWYFYSA-N 2 1 299.422 2.443 20 0 CEADMP CN(C[C@H](O)C[N@H+]1CCC[C@@H]2CCCC[C@H]21)C1CC1 ZINC000311944194 376696218 /nfs/dbraw/zinc/69/62/18/376696218.db2.gz XZUKNQWWLPSQGJ-CWRNSKLLSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]2CCCC[C@H]21)C1CC1 ZINC000311944194 376696224 /nfs/dbraw/zinc/69/62/24/376696224.db2.gz XZUKNQWWLPSQGJ-CWRNSKLLSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]2CCCC[C@H]21)C1CC1 ZINC000311944194 376696231 /nfs/dbraw/zinc/69/62/31/376696231.db2.gz XZUKNQWWLPSQGJ-CWRNSKLLSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)C1CC1 ZINC000311944194 376696235 /nfs/dbraw/zinc/69/62/35/376696235.db2.gz XZUKNQWWLPSQGJ-CWRNSKLLSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]2CCCC[C@H]21)C1CC1 ZINC000311944194 376696246 /nfs/dbraw/zinc/69/62/46/376696246.db2.gz XZUKNQWWLPSQGJ-CWRNSKLLSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000311979705 376698352 /nfs/dbraw/zinc/69/83/52/376698352.db2.gz MMXXUEXPPRCKHB-GDBMZVCRSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000311979705 376698356 /nfs/dbraw/zinc/69/83/56/376698356.db2.gz MMXXUEXPPRCKHB-GDBMZVCRSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000311979705 376698358 /nfs/dbraw/zinc/69/83/58/376698358.db2.gz MMXXUEXPPRCKHB-GDBMZVCRSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000311979705 376698361 /nfs/dbraw/zinc/69/83/61/376698361.db2.gz MMXXUEXPPRCKHB-GDBMZVCRSA-N 2 1 268.445 2.200 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC000560601890 376766120 /nfs/dbraw/zinc/76/61/20/376766120.db2.gz LMBYKFCLSXMRQR-MRXNPFEDSA-N 2 1 297.487 2.489 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ncccc2F)[C@@H]2CCC[C@@H]21 ZINC000560537866 376762999 /nfs/dbraw/zinc/76/29/99/376762999.db2.gz URDBXTDNCIFDNO-WHOFXGATSA-N 2 1 263.360 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ncccc2F)[C@@H]2CCC[C@@H]21 ZINC000560537866 376763008 /nfs/dbraw/zinc/76/30/08/376763008.db2.gz URDBXTDNCIFDNO-WHOFXGATSA-N 2 1 263.360 2.183 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000314138132 376764687 /nfs/dbraw/zinc/76/46/87/376764687.db2.gz FXBSMSUCNRSJCN-ARFHVFGLSA-N 2 1 295.471 2.084 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000314138132 376764695 /nfs/dbraw/zinc/76/46/95/376764695.db2.gz FXBSMSUCNRSJCN-ARFHVFGLSA-N 2 1 295.471 2.084 20 0 CEADMP COc1cc(C)nc(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000290407565 376764774 /nfs/dbraw/zinc/76/47/74/376764774.db2.gz JWWRNMRACZGMQL-UHFFFAOYSA-N 2 1 288.395 2.426 20 0 CEADMP COc1cc(C)nc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000290407565 376764779 /nfs/dbraw/zinc/76/47/79/376764779.db2.gz JWWRNMRACZGMQL-UHFFFAOYSA-N 2 1 288.395 2.426 20 0 CEADMP Cc1nc(C)c(CC[NH2+][C@H](C)c2c[nH+]ccc2N)s1 ZINC000422892935 376856873 /nfs/dbraw/zinc/85/68/73/376856873.db2.gz ZUNZPVKDSFTVRF-SECBINFHSA-N 2 1 276.409 2.461 20 0 CEADMP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422954616 376878157 /nfs/dbraw/zinc/87/81/57/376878157.db2.gz JJLXDOVHUUJUPG-QXULXFAOSA-N 2 1 260.381 2.247 20 0 CEADMP CC[C@@H](NC[C@@H](c1ccco1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422965276 376894563 /nfs/dbraw/zinc/89/45/63/376894563.db2.gz OHNFNECNTVOBTE-RDBSUJKOSA-N 2 1 265.401 2.003 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000562441959 376895010 /nfs/dbraw/zinc/89/50/10/376895010.db2.gz JCQKOFLHUKTMKJ-ZACQAIPSSA-N 2 1 290.451 2.485 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000562441959 376895025 /nfs/dbraw/zinc/89/50/25/376895025.db2.gz JCQKOFLHUKTMKJ-ZACQAIPSSA-N 2 1 290.451 2.485 20 0 CEADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000423039815 376942919 /nfs/dbraw/zinc/94/29/19/376942919.db2.gz GALXLOIUJXSUTG-WBVHZDCISA-N 2 1 289.467 2.266 20 0 CEADMP CC[C@@H](NCC[N@@H+]1CC=C(C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423036043 376943174 /nfs/dbraw/zinc/94/31/74/376943174.db2.gz KPORRKJDPLPRMI-CVEARBPZSA-N 2 1 265.445 2.149 20 0 CEADMP CC[C@H](CC(F)(F)F)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423039890 376944002 /nfs/dbraw/zinc/94/40/02/376944002.db2.gz RXXKZHQJSDEVAB-MXWKQRLJSA-N 2 1 268.323 2.074 20 0 CEADMP CC1=CC[N@H+](CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423042567 376948254 /nfs/dbraw/zinc/94/82/54/376948254.db2.gz ZTAOGSVCCOUMPK-BBWFWOEESA-N 2 1 277.456 2.149 20 0 CEADMP CC1=CC[N@@H+](CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423042567 376948257 /nfs/dbraw/zinc/94/82/57/376948257.db2.gz ZTAOGSVCCOUMPK-BBWFWOEESA-N 2 1 277.456 2.149 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000423064572 376952410 /nfs/dbraw/zinc/95/24/10/376952410.db2.gz RTKZWUFZRARIJE-RVMXOQNASA-N 2 1 294.361 2.200 20 0 CEADMP C[C@@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1C[NH2+]C1 ZINC000423065107 376955039 /nfs/dbraw/zinc/95/50/39/376955039.db2.gz SUKKSDRAGDCSRQ-KDOFPFPSSA-N 2 1 287.451 2.095 20 0 CEADMP C[C@H](O)[C@](C)(C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423069701 376962170 /nfs/dbraw/zinc/96/21/70/376962170.db2.gz FCTXIBHKUUZABJ-LAQRGFTBSA-N 2 1 290.451 2.346 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000329590912 376969037 /nfs/dbraw/zinc/96/90/37/376969037.db2.gz YRIWPELIIFGZDM-ZDUSSCGKSA-N 2 1 299.378 2.323 20 0 CEADMP C[C@@H]([NH2+]C[C@H](CO)c1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000423120760 377017224 /nfs/dbraw/zinc/01/72/24/377017224.db2.gz HMEZBXSZQUOOGT-JMSVASOKSA-N 2 1 282.815 2.146 20 0 CEADMP CC[C@@H](NCCCCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423140118 377040142 /nfs/dbraw/zinc/04/01/42/377040142.db2.gz XJOUAWIPGZBHCX-CVEARBPZSA-N 2 1 267.461 2.373 20 0 CEADMP C[C@H]([NH2+]CCCC1CCOCC1)c1c[nH+]ccc1N ZINC000423146017 377047120 /nfs/dbraw/zinc/04/71/20/377047120.db2.gz NMFRJOIROSBEQY-LBPRGKRZSA-N 2 1 263.385 2.352 20 0 CEADMP CCN(C)C(=O)[C@@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C(C)C ZINC000423149298 377049159 /nfs/dbraw/zinc/04/91/59/377049159.db2.gz AMNWFRCFBDWZJV-JYJNAYRXSA-N 2 1 289.423 2.224 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccncc1OCC(F)F ZINC000423107552 377001173 /nfs/dbraw/zinc/00/11/73/377001173.db2.gz SJURDXRHWITPPZ-DGCLKSJQSA-N 2 1 299.365 2.203 20 0 CEADMP Cc1cccnc1CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423159574 377065360 /nfs/dbraw/zinc/06/53/60/377065360.db2.gz YJCDOMRTOMPUJC-LBPRGKRZSA-N 2 1 256.353 2.091 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](Cc1ccccc1)OC)[C@@H]1CCC[NH2+]1 ZINC000423159657 377065384 /nfs/dbraw/zinc/06/53/84/377065384.db2.gz PNFXMRWHDJTHRJ-IKGGRYGDSA-N 2 1 276.424 2.364 20 0 CEADMP FC1(F)CC(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423168622 377075196 /nfs/dbraw/zinc/07/51/96/377075196.db2.gz UVMXNDLVRNYQOG-MCIONIFRSA-N 2 1 288.382 2.169 20 0 CEADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423183026 377095160 /nfs/dbraw/zinc/09/51/60/377095160.db2.gz MIASIAXUVPNAGN-NOLJZWGESA-N 2 1 277.387 2.135 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423184301 377097538 /nfs/dbraw/zinc/09/75/38/377097538.db2.gz IGEAYLQIGGXZNN-SWLSCSKDSA-N 2 1 292.423 2.285 20 0 CEADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)c1 ZINC000423190041 377102560 /nfs/dbraw/zinc/10/25/60/377102560.db2.gz NGMHYARZAVARAN-VNQPRFMTSA-N 2 1 259.397 2.449 20 0 CEADMP COCC[C@H]1CCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423189315 377102866 /nfs/dbraw/zinc/10/28/66/377102866.db2.gz PCCCRGMMYAGKRN-SJORKVTESA-N 2 1 291.439 2.356 20 0 CEADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CC2)C1(C)C ZINC000423273768 377194531 /nfs/dbraw/zinc/19/45/31/377194531.db2.gz JILBRRVFJLBYFF-HZSPNIEDSA-N 2 1 254.418 2.153 20 0 CEADMP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000423235007 377155709 /nfs/dbraw/zinc/15/57/09/377155709.db2.gz GCPKXUKVCHUBNK-XYPHTWIQSA-N 2 1 275.440 2.350 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423255974 377176577 /nfs/dbraw/zinc/17/65/77/377176577.db2.gz BDOSTFXSTFRIDH-JZXOWHBKSA-N 2 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423255974 377176584 /nfs/dbraw/zinc/17/65/84/377176584.db2.gz BDOSTFXSTFRIDH-JZXOWHBKSA-N 3 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423255974 377176591 /nfs/dbraw/zinc/17/65/91/377176591.db2.gz BDOSTFXSTFRIDH-JZXOWHBKSA-N 3 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000423255974 377176598 /nfs/dbraw/zinc/17/65/98/377176598.db2.gz BDOSTFXSTFRIDH-JZXOWHBKSA-N 2 1 289.467 2.342 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)[C@@H]1C ZINC000423265281 377185264 /nfs/dbraw/zinc/18/52/64/377185264.db2.gz QSEJSCIUFUGLHU-OEAJRASXSA-N 2 1 296.455 2.461 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000423269543 377189084 /nfs/dbraw/zinc/18/90/84/377189084.db2.gz HDYWNOOQNTZELY-YPMHNXCESA-N 2 1 264.369 2.439 20 0 CEADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCC[NH2+]C1CCCCCC1 ZINC000423285176 377215501 /nfs/dbraw/zinc/21/55/01/377215501.db2.gz XTYJPGWIIQQAST-WMLDXEAASA-N 2 1 279.472 2.371 20 0 CEADMP COCCOc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1OC ZINC000423286965 377216089 /nfs/dbraw/zinc/21/60/89/377216089.db2.gz JSDYTYSRWNYZOM-GFCCVEGCSA-N 2 1 296.411 2.108 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000423293716 377221991 /nfs/dbraw/zinc/22/19/91/377221991.db2.gz AOSWXEIQSRLREF-UWVGGRQHSA-N 2 1 280.803 2.472 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000423295633 377225354 /nfs/dbraw/zinc/22/53/54/377225354.db2.gz XDEPVKRAZYIJHN-XEZPLFJOSA-N 3 1 261.413 2.136 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000423295633 377225361 /nfs/dbraw/zinc/22/53/61/377225361.db2.gz XDEPVKRAZYIJHN-XEZPLFJOSA-N 2 1 261.413 2.136 20 0 CEADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)CCC2 ZINC000423311263 377241311 /nfs/dbraw/zinc/24/13/11/377241311.db2.gz BNSCEYKSCDDHSE-QWRGUYRKSA-N 2 1 251.399 2.156 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCC[NH2+]C1 ZINC000423335650 377268713 /nfs/dbraw/zinc/26/87/13/377268713.db2.gz JEGGDXKEGPAGPR-NXOAAHMSSA-N 3 1 279.472 2.277 20 0 CEADMP CCC[NH2+]CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423313051 377242894 /nfs/dbraw/zinc/24/28/94/377242894.db2.gz TVTDWFRLMNHZHN-WMZOPIPTSA-N 2 1 289.467 2.486 20 0 CEADMP C[N@@H+](CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C)C1CCCCC1 ZINC000423322527 377256342 /nfs/dbraw/zinc/25/63/42/377256342.db2.gz HJWJCCDWDCSNAR-HNNXBMFYSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H]1C[C@@H](NCC2([NH3+])CCC2)C[N@H+]1Cc1ccccc1 ZINC000423328569 377263973 /nfs/dbraw/zinc/26/39/73/377263973.db2.gz NURGPNCDLFIQHG-GOEBONIOSA-N 2 1 273.424 2.120 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCC2)CN1Cc1ccccc1 ZINC000423328569 377263985 /nfs/dbraw/zinc/26/39/85/377263985.db2.gz NURGPNCDLFIQHG-GOEBONIOSA-N 2 1 273.424 2.120 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H](NCC3C[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423333318 377264072 /nfs/dbraw/zinc/26/40/72/377264072.db2.gz VUTIQUHHWHCAIA-GBESFXJTSA-N 2 1 299.462 2.239 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3C[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423333318 377264084 /nfs/dbraw/zinc/26/40/84/377264084.db2.gz VUTIQUHHWHCAIA-GBESFXJTSA-N 3 1 299.462 2.239 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3C[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423333318 377264091 /nfs/dbraw/zinc/26/40/91/377264091.db2.gz VUTIQUHHWHCAIA-GBESFXJTSA-N 3 1 299.462 2.239 20 0 CEADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423276284 377199519 /nfs/dbraw/zinc/19/95/19/377199519.db2.gz ODVGTODPPLKZBB-ABAIWWIYSA-N 2 1 263.385 2.279 20 0 CEADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H](C[NH3+])C1CC1)CCC2 ZINC000423278444 377205214 /nfs/dbraw/zinc/20/52/14/377205214.db2.gz PYSPFPMXRXXQHZ-NEPJUHHUSA-N 2 1 251.399 2.156 20 0 CEADMP FC(F)Oc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000563977092 377331186 /nfs/dbraw/zinc/33/11/86/377331186.db2.gz ZQOMMDZTCCPURB-UHFFFAOYSA-N 2 1 270.323 2.473 20 0 CEADMP CCOc1ccc([C@H](C)[NH2+]C[C@H](O)CN(C)C2CC2)cc1 ZINC000685570918 542159754 /nfs/dbraw/zinc/15/97/54/542159754.db2.gz RBVQEROGRSHKPE-BBRMVZONSA-N 2 1 292.423 2.191 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000563866228 377307655 /nfs/dbraw/zinc/30/76/55/377307655.db2.gz QYPAASNPLAYUNX-ZACQAIPSSA-N 3 1 279.472 2.181 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)CC1 ZINC000563866228 377307665 /nfs/dbraw/zinc/30/76/65/377307665.db2.gz QYPAASNPLAYUNX-ZACQAIPSSA-N 2 1 279.472 2.181 20 0 CEADMP COc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000564324437 377374854 /nfs/dbraw/zinc/37/48/54/377374854.db2.gz GHZKERHCCBKWIS-XJKSGUPXSA-N 2 1 262.397 2.467 20 0 CEADMP COc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000564324437 377374856 /nfs/dbraw/zinc/37/48/56/377374856.db2.gz GHZKERHCCBKWIS-XJKSGUPXSA-N 2 1 262.397 2.467 20 0 CEADMP COc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000564324437 377374863 /nfs/dbraw/zinc/37/48/63/377374863.db2.gz GHZKERHCCBKWIS-XJKSGUPXSA-N 2 1 262.397 2.467 20 0 CEADMP COc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000564324437 377374868 /nfs/dbraw/zinc/37/48/68/377374868.db2.gz GHZKERHCCBKWIS-XJKSGUPXSA-N 2 1 262.397 2.467 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3Cc4ccccc4[C@H]3O)C2)C1 ZINC000293010650 377390975 /nfs/dbraw/zinc/39/09/75/377390975.db2.gz PRDIMNOVGPPOLL-KSZLIROESA-N 2 1 286.419 2.062 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3Cc4ccccc4[C@H]3O)C2)C1 ZINC000293010650 377390980 /nfs/dbraw/zinc/39/09/80/377390980.db2.gz PRDIMNOVGPPOLL-KSZLIROESA-N 2 1 286.419 2.062 20 0 CEADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](C)O)CC1 ZINC000564076514 377342994 /nfs/dbraw/zinc/34/29/94/377342994.db2.gz CCFZOTQXHUPRAX-UONOGXRCSA-N 2 1 262.397 2.182 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000564465711 377396953 /nfs/dbraw/zinc/39/69/53/377396953.db2.gz SEXNSJWHBZWUTF-AAEUAGOBSA-N 2 1 286.366 2.270 20 0 CEADMP CC(C)O[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000564915938 377504632 /nfs/dbraw/zinc/50/46/32/377504632.db2.gz GBDNDJWVFYNZJH-IAGOWNOFSA-N 2 1 298.471 2.375 20 0 CEADMP CSCc1cnc(C[NH2+]CC2=CC[N@H+](C)CC2)s1 ZINC000293248494 377491040 /nfs/dbraw/zinc/49/10/40/377491040.db2.gz LVXOFVMKMVEYCC-UHFFFAOYSA-N 2 1 283.466 2.358 20 0 CEADMP CSCc1cnc(C[NH2+]CC2=CC[N@@H+](C)CC2)s1 ZINC000293248494 377491047 /nfs/dbraw/zinc/49/10/47/377491047.db2.gz LVXOFVMKMVEYCC-UHFFFAOYSA-N 2 1 283.466 2.358 20 0 CEADMP CC[C@H](C(=O)N[C@H](C)C[C@H](C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000565004452 377528162 /nfs/dbraw/zinc/52/81/62/377528162.db2.gz ORSZOOMHPNPUEW-SQWLQELKSA-N 2 1 291.439 2.139 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])C(C)C ZINC000430903277 377560236 /nfs/dbraw/zinc/56/02/36/377560236.db2.gz HDBQKVAKBBZNHU-LSDHHAIUSA-N 2 1 283.460 2.131 20 0 CEADMP Cn1cncc1CCC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000565158578 377576530 /nfs/dbraw/zinc/57/65/30/377576530.db2.gz TVOCSTKFAXNZAZ-GOSISDBHSA-N 2 1 297.402 2.484 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000565158578 377576535 /nfs/dbraw/zinc/57/65/35/377576535.db2.gz TVOCSTKFAXNZAZ-GOSISDBHSA-N 2 1 297.402 2.484 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000565175316 377590191 /nfs/dbraw/zinc/59/01/91/377590191.db2.gz UFHIGFVTFNCTCQ-HNNXBMFYSA-N 2 1 270.380 2.237 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000565175316 377590198 /nfs/dbraw/zinc/59/01/98/377590198.db2.gz UFHIGFVTFNCTCQ-HNNXBMFYSA-N 2 1 270.380 2.237 20 0 CEADMP C[C@@H](C[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1)c1ccccc1 ZINC000431072940 377593955 /nfs/dbraw/zinc/59/39/55/377593955.db2.gz HKWRUQSVWUPHDH-LBPRGKRZSA-N 2 1 288.395 2.499 20 0 CEADMP Cc1ncsc1CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000172585169 249323602 /nfs/dbraw/zinc/32/36/02/249323602.db2.gz ZIVOPLQSIMDFDF-ZDUSSCGKSA-N 2 1 267.442 2.268 20 0 CEADMP Cc1ncsc1CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000172585169 249323607 /nfs/dbraw/zinc/32/36/07/249323607.db2.gz ZIVOPLQSIMDFDF-ZDUSSCGKSA-N 2 1 267.442 2.268 20 0 CEADMP Cc1ncsc1CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000172585169 249323610 /nfs/dbraw/zinc/32/36/10/249323610.db2.gz ZIVOPLQSIMDFDF-ZDUSSCGKSA-N 2 1 267.442 2.268 20 0 CEADMP C[C@@H](C1CC1)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000431096469 377600342 /nfs/dbraw/zinc/60/03/42/377600342.db2.gz ZISDHSHAOCAYQF-VIFPVBQESA-N 2 1 264.373 2.026 20 0 CEADMP C[C@@H](C1CC1)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000431096469 377600350 /nfs/dbraw/zinc/60/03/50/377600350.db2.gz ZISDHSHAOCAYQF-VIFPVBQESA-N 2 1 264.373 2.026 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC[C@H]1O ZINC000166771264 542212588 /nfs/dbraw/zinc/21/25/88/542212588.db2.gz IZMJMABRLRWSDY-KLHDSHLOSA-N 2 1 266.429 2.144 20 0 CEADMP CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431517917 377647642 /nfs/dbraw/zinc/64/76/42/377647642.db2.gz JVEGAQQKRRTKJQ-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000431625579 377657406 /nfs/dbraw/zinc/65/74/06/377657406.db2.gz OXPIUTGVCSZYAJ-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000566106042 377727061 /nfs/dbraw/zinc/72/70/61/377727061.db2.gz FHADADOJABDEEO-IIDMSEBBSA-N 2 1 288.435 2.225 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4c[nH]nc4c3)C2)C1 ZINC000293743467 377734372 /nfs/dbraw/zinc/73/43/72/377734372.db2.gz WBCVFPCYFDROIW-QGZVFWFLSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc4c[nH]nc4c3)C2)C1 ZINC000293743467 377734377 /nfs/dbraw/zinc/73/43/77/377734377.db2.gz WBCVFPCYFDROIW-QGZVFWFLSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)C1 ZINC000293743467 377734384 /nfs/dbraw/zinc/73/43/84/377734384.db2.gz WBCVFPCYFDROIW-QGZVFWFLSA-N 2 1 284.407 2.481 20 0 CEADMP COC1(C[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CCC1 ZINC000432411628 377757675 /nfs/dbraw/zinc/75/76/75/377757675.db2.gz ZTICMBACKCHRQZ-HZPDHXFCSA-N 2 1 298.471 2.425 20 0 CEADMP COC1(C[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCC1 ZINC000432411628 377757682 /nfs/dbraw/zinc/75/76/82/377757682.db2.gz ZTICMBACKCHRQZ-HZPDHXFCSA-N 2 1 298.471 2.425 20 0 CEADMP [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000333491216 377768739 /nfs/dbraw/zinc/76/87/39/377768739.db2.gz DJAMIESSNVGQAL-DZGCQCFKSA-N 2 1 295.814 2.458 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000435874574 377813406 /nfs/dbraw/zinc/81/34/06/377813406.db2.gz LODARLSNVVTPJX-AWEZNQCLSA-N 2 1 250.411 2.386 20 0 CEADMP C[NH2+]CCC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000435874574 377813409 /nfs/dbraw/zinc/81/34/09/377813409.db2.gz LODARLSNVVTPJX-AWEZNQCLSA-N 2 1 250.411 2.386 20 0 CEADMP C[C@@H](C[NH2+]CC[C@H]1CCOC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000438086008 377881145 /nfs/dbraw/zinc/88/11/45/377881145.db2.gz QYMJQUYBCVJOJZ-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H](C[NH2+]CC[C@H]1CCOC1)[N@H+]1CCC[C@@H](C)C1 ZINC000438086008 377881147 /nfs/dbraw/zinc/88/11/47/377881147.db2.gz QYMJQUYBCVJOJZ-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2CCOC2)C[C@H]1C ZINC000438101002 377885181 /nfs/dbraw/zinc/88/51/81/377885181.db2.gz NLPLFQQUNGJMCW-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CCOC2)C[C@H]1C ZINC000438101002 377885187 /nfs/dbraw/zinc/88/51/87/377885187.db2.gz NLPLFQQUNGJMCW-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2CCOC2)C[C@H]1C ZINC000438101002 377885192 /nfs/dbraw/zinc/88/51/92/377885192.db2.gz NLPLFQQUNGJMCW-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP CCc1cc(N[C@H](C)C[N@H+](C)C(C)C)nc(C)[nH+]1 ZINC000290687017 542228568 /nfs/dbraw/zinc/22/85/68/542228568.db2.gz LXZVEDGEYANLTQ-LLVKDONJSA-N 2 1 250.390 2.488 20 0 CEADMP CCc1cc(N[C@H](C)C[N@@H+](C)C(C)C)nc(C)[nH+]1 ZINC000290687017 542228573 /nfs/dbraw/zinc/22/85/73/542228573.db2.gz LXZVEDGEYANLTQ-LLVKDONJSA-N 2 1 250.390 2.488 20 0 CEADMP CO[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000441347031 377936909 /nfs/dbraw/zinc/93/69/09/377936909.db2.gz KKCTVMNQWOCYBG-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP COCCOc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000442924275 378018875 /nfs/dbraw/zinc/01/88/75/378018875.db2.gz SCBKBJIQGLYOSI-OAHLLOKOSA-N 2 1 292.423 2.273 20 0 CEADMP C[C@@H](CCC1CC1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442890648 378014859 /nfs/dbraw/zinc/01/48/59/378014859.db2.gz PMIZJFHOAVPFOJ-AWEZNQCLSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]([NH3+])CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000442657218 377976972 /nfs/dbraw/zinc/97/69/72/377976972.db2.gz GYIVFDFKNPJTGO-ZDUSSCGKSA-N 2 1 281.831 2.195 20 0 CEADMP COCCCC[N@@H+](Cc1ccccc1)C[C@H](C)[NH3+] ZINC000442666300 377978070 /nfs/dbraw/zinc/97/80/70/377978070.db2.gz QEZHLIFIVCIDQG-AWEZNQCLSA-N 2 1 250.386 2.262 20 0 CEADMP COCCCC[N@H+](Cc1ccccc1)C[C@H](C)[NH3+] ZINC000442666300 377978075 /nfs/dbraw/zinc/97/80/75/377978075.db2.gz QEZHLIFIVCIDQG-AWEZNQCLSA-N 2 1 250.386 2.262 20 0 CEADMP Cc1ccccc1OCCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442762110 377992108 /nfs/dbraw/zinc/99/21/08/377992108.db2.gz ZZUZWMVWNGGBHU-GJZGRUSLSA-N 2 1 262.397 2.433 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443067532 378033876 /nfs/dbraw/zinc/03/38/76/378033876.db2.gz GXIXHRRNLPPXPC-CQSZACIVSA-N 2 1 286.423 2.177 20 0 CEADMP Cn1c(NCC(C)(C)C[NH+](C)C)[nH+]c2cccc(F)c21 ZINC000443409483 378050949 /nfs/dbraw/zinc/05/09/49/378050949.db2.gz WVJISDAODKNDGA-UHFFFAOYSA-N 2 1 278.375 2.134 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH+]2C2CC2)CC[N@H+]1C ZINC000447590510 378123059 /nfs/dbraw/zinc/12/30/59/378123059.db2.gz CYLHMMBZKUVRKA-IJEWVQPXSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1C ZINC000447590510 378123064 /nfs/dbraw/zinc/12/30/64/378123064.db2.gz CYLHMMBZKUVRKA-IJEWVQPXSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@H+]2C2CC2)CC[NH+]1C ZINC000447590510 378123068 /nfs/dbraw/zinc/12/30/68/378123068.db2.gz CYLHMMBZKUVRKA-IJEWVQPXSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2C2CC2)CC[N@@H+]1C ZINC000447590510 378123073 /nfs/dbraw/zinc/12/30/73/378123073.db2.gz CYLHMMBZKUVRKA-IJEWVQPXSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2C2CC2)CC[N@H+]1C ZINC000447590510 378123077 /nfs/dbraw/zinc/12/30/77/378123077.db2.gz CYLHMMBZKUVRKA-IJEWVQPXSA-N 2 1 265.445 2.076 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C(C)C ZINC000411551584 284690269 /nfs/dbraw/zinc/69/02/69/284690269.db2.gz NMQBMJZCEOLCKY-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)Cn1cccn1 ZINC000449383498 378207465 /nfs/dbraw/zinc/20/74/65/378207465.db2.gz HTJFWENLVVCBIF-HOTGVXAUSA-N 2 1 278.444 2.372 20 0 CEADMP CC[N@H+]1CCCN(C[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000450342744 378365474 /nfs/dbraw/zinc/36/54/74/378365474.db2.gz UGNJLGVYTBDNTL-INIZCTEOSA-N 2 1 267.461 2.277 20 0 CEADMP CC[NH+]1CCCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450342744 378365476 /nfs/dbraw/zinc/36/54/76/378365476.db2.gz UGNJLGVYTBDNTL-INIZCTEOSA-N 2 1 267.461 2.277 20 0 CEADMP CC[NH+]1CCCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450342744 378365481 /nfs/dbraw/zinc/36/54/81/378365481.db2.gz UGNJLGVYTBDNTL-INIZCTEOSA-N 2 1 267.461 2.277 20 0 CEADMP CCc1cc(N(C)CC(C)(C)C[NH+]2CCOCC2)cc[nH+]1 ZINC000450411124 378401356 /nfs/dbraw/zinc/40/13/56/378401356.db2.gz WXSUNNRGHJQUNM-UHFFFAOYSA-N 2 1 291.439 2.439 20 0 CEADMP CCc1ccc2[nH+]ccc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1 ZINC000450386110 378386657 /nfs/dbraw/zinc/38/66/57/378386657.db2.gz GLPHGGCXTOBNJT-QZTJIDSGSA-N 2 1 297.402 2.316 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(CCC(N)=O)CC1 ZINC000450643063 378515820 /nfs/dbraw/zinc/51/58/20/378515820.db2.gz DDHPPPUSNLSNLQ-MRXNPFEDSA-N 2 1 295.471 2.227 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(CCC(N)=O)CC1 ZINC000450643063 378515825 /nfs/dbraw/zinc/51/58/25/378515825.db2.gz DDHPPPUSNLSNLQ-MRXNPFEDSA-N 2 1 295.471 2.227 20 0 CEADMP CCC[C@@H](O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450646337 378517187 /nfs/dbraw/zinc/51/71/87/378517187.db2.gz VJXBVUNOMOMVEQ-QGZVFWFLSA-N 2 1 291.439 2.391 20 0 CEADMP CN(CC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000298611503 378779178 /nfs/dbraw/zinc/77/91/78/378779178.db2.gz ZZZHUWMBEOVZBH-UHFFFAOYSA-N 2 1 273.424 2.339 20 0 CEADMP CC(C)[C@@H]1[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC12CCCC2 ZINC000453035411 378780577 /nfs/dbraw/zinc/78/05/77/378780577.db2.gz JYYOYULMJBUNAG-CVEARBPZSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC12CCCC2 ZINC000453035411 378780583 /nfs/dbraw/zinc/78/05/83/378780583.db2.gz JYYOYULMJBUNAG-CVEARBPZSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@@H]1[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC12CCCC2 ZINC000453035411 378780588 /nfs/dbraw/zinc/78/05/88/378780588.db2.gz JYYOYULMJBUNAG-CVEARBPZSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@@H]1[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC12CCCC2 ZINC000453035411 378780591 /nfs/dbraw/zinc/78/05/91/378780591.db2.gz JYYOYULMJBUNAG-CVEARBPZSA-N 2 1 280.456 2.342 20 0 CEADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccncc1 ZINC000453095976 378800614 /nfs/dbraw/zinc/80/06/14/378800614.db2.gz HUXKFTRMSHZRKZ-KRWDZBQOSA-N 2 1 290.455 2.150 20 0 CEADMP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453093542 378800965 /nfs/dbraw/zinc/80/09/65/378800965.db2.gz MOCAMZDKRPTXQW-SPUZQDLCSA-N 2 1 288.435 2.400 20 0 CEADMP CN(C)c1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298538113 378759938 /nfs/dbraw/zinc/75/99/38/378759938.db2.gz SRMQGUMJXAVCIX-UHFFFAOYSA-N 2 1 273.424 2.469 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCCC1 ZINC000453215395 378830343 /nfs/dbraw/zinc/83/03/43/378830343.db2.gz CJANYQCPUNFCJQ-RBSFLKMASA-N 2 1 266.429 2.408 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453104330 378804102 /nfs/dbraw/zinc/80/41/02/378804102.db2.gz ZBTRGOWJEGPYGE-INIZCTEOSA-N 2 1 266.429 2.002 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2CCn3ccnc32)C1 ZINC000453104216 378804221 /nfs/dbraw/zinc/80/42/21/378804221.db2.gz DZQYTCAZISLPMN-UONOGXRCSA-N 2 1 262.401 2.038 20 0 CEADMP Cn1cnc2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)ccc21 ZINC000346847388 218034471 /nfs/dbraw/zinc/03/44/71/218034471.db2.gz MGNJMEHRTRMGHL-ZNMIVQPWSA-N 2 1 284.407 2.133 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346819541 218023438 /nfs/dbraw/zinc/02/34/38/218023438.db2.gz HMHLFBPKVGGTRV-IMJJTQAJSA-N 2 1 287.407 2.204 20 0 CEADMP CCC[N@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000266226062 190241464 /nfs/dbraw/zinc/24/14/64/190241464.db2.gz RUQHRHFEEOQVFG-CQSZACIVSA-N 2 1 262.401 2.262 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000266226062 190241465 /nfs/dbraw/zinc/24/14/65/190241465.db2.gz RUQHRHFEEOQVFG-CQSZACIVSA-N 2 1 262.401 2.262 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnn(Cc4ccccc4)c3)C[C@@H]12 ZINC000346844733 218034778 /nfs/dbraw/zinc/03/47/78/218034778.db2.gz JVIZCVMTYDGRJR-KZNAEPCWSA-N 2 1 296.418 2.101 20 0 CEADMP COc1ncc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000453280065 378854171 /nfs/dbraw/zinc/85/41/71/378854171.db2.gz AYUJHXUPGAYXNG-GXFFZTMASA-N 2 1 283.803 2.173 20 0 CEADMP COc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000453280065 378854174 /nfs/dbraw/zinc/85/41/74/378854174.db2.gz AYUJHXUPGAYXNG-GXFFZTMASA-N 2 1 283.803 2.173 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346848858 218036262 /nfs/dbraw/zinc/03/62/62/218036262.db2.gz OKARJAQSWLXARN-RRFJBIMHSA-N 2 1 290.407 2.263 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H]1C ZINC000453397758 378887054 /nfs/dbraw/zinc/88/70/54/378887054.db2.gz JWPNRCXEJPDREI-IJEWVQPXSA-N 2 1 296.455 2.428 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000453400449 378888673 /nfs/dbraw/zinc/88/86/73/378888673.db2.gz MJVPGWVOEQARAO-OWCLPIDISA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)CC[N@H+]1C ZINC000453362589 378874343 /nfs/dbraw/zinc/87/43/43/378874343.db2.gz BJQHOUXPVXXZCZ-KBPBESRZSA-N 2 1 268.445 2.390 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000346948955 218067879 /nfs/dbraw/zinc/06/78/79/218067879.db2.gz AQMAYHKBVMAVHD-CQSZACIVSA-N 2 1 284.444 2.239 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC[C@H]1CCC[NH2+]C1 ZINC000346998961 218086054 /nfs/dbraw/zinc/08/60/54/218086054.db2.gz XXGVHUWFBIHPEP-KRWDZBQOSA-N 2 1 289.467 2.486 20 0 CEADMP CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000346998961 218086055 /nfs/dbraw/zinc/08/60/55/218086055.db2.gz XXGVHUWFBIHPEP-KRWDZBQOSA-N 2 1 289.467 2.486 20 0 CEADMP CC(C)OC1CC([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453605021 378920193 /nfs/dbraw/zinc/92/01/93/378920193.db2.gz ZMXXFAMMXHFUQD-UHFFFAOYSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cccnc2)C1 ZINC000347036483 218101360 /nfs/dbraw/zinc/10/13/60/218101360.db2.gz GYBGOGCIDNTRLL-ZFWWWQNUSA-N 2 1 299.422 2.041 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000347041535 218102865 /nfs/dbraw/zinc/10/28/65/218102865.db2.gz LARTUMQQJNLCDY-JTQLQIEISA-N 2 1 251.399 2.191 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000347041535 218102867 /nfs/dbraw/zinc/10/28/67/218102867.db2.gz LARTUMQQJNLCDY-JTQLQIEISA-N 2 1 251.399 2.191 20 0 CEADMP C[N@H+](CCOC1CCC1)CC[C@H]1CCCC[NH+]1C ZINC000347054008 218105418 /nfs/dbraw/zinc/10/54/18/218105418.db2.gz MEEOONNWYDPXPI-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP C[N@@H+](CCOC1CCC1)CC[C@H]1CCCC[NH+]1C ZINC000347054008 218105420 /nfs/dbraw/zinc/10/54/20/218105420.db2.gz MEEOONNWYDPXPI-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP C[NH+](CCOC1CCC1)CC[C@H]1CCCC[N@@H+]1C ZINC000347054008 218105423 /nfs/dbraw/zinc/10/54/23/218105423.db2.gz MEEOONNWYDPXPI-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP C[NH+](CCOC1CCC1)CC[C@H]1CCCC[N@H+]1C ZINC000347054008 218105424 /nfs/dbraw/zinc/10/54/24/218105424.db2.gz MEEOONNWYDPXPI-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347013268 218093306 /nfs/dbraw/zinc/09/33/06/218093306.db2.gz HSEZWXNXVPOXOG-OAHLLOKOSA-N 2 1 284.407 2.270 20 0 CEADMP CCOc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000347026475 218096508 /nfs/dbraw/zinc/09/65/08/218096508.db2.gz UHKLZOVSXBNRAF-UHFFFAOYSA-N 2 1 278.396 2.278 20 0 CEADMP CCOc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000347026475 218096510 /nfs/dbraw/zinc/09/65/10/218096510.db2.gz UHKLZOVSXBNRAF-UHFFFAOYSA-N 2 1 278.396 2.278 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)c(C)c2)C1 ZINC000347117506 218127090 /nfs/dbraw/zinc/12/70/90/218127090.db2.gz UQJGVXJZVXGBRH-MRXNPFEDSA-N 2 1 299.422 2.007 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347199087 218153851 /nfs/dbraw/zinc/15/38/51/218153851.db2.gz INAGAWVWRYUSGD-PBWFPOADSA-N 2 1 290.455 2.260 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347199087 218153853 /nfs/dbraw/zinc/15/38/53/218153853.db2.gz INAGAWVWRYUSGD-PBWFPOADSA-N 2 1 290.455 2.260 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](CC(C)C)C2)CC1 ZINC000347342901 218198125 /nfs/dbraw/zinc/19/81/25/218198125.db2.gz PQBRFROPNOOLHR-IRXDYDNUSA-N 2 1 298.471 2.281 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000347352783 218200605 /nfs/dbraw/zinc/20/06/05/218200605.db2.gz UUWQCXNEQFSHPQ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000347403114 218224295 /nfs/dbraw/zinc/22/42/95/218224295.db2.gz IDBKBDSHHUSPAZ-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000347426103 218230685 /nfs/dbraw/zinc/23/06/85/218230685.db2.gz KGMYLCXNTGFQJR-KBPBESRZSA-N 2 1 284.444 2.428 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000513076383 379124288 /nfs/dbraw/zinc/12/42/88/379124288.db2.gz OTLGHPIFUPKDSC-LZWOXQAQSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000513076383 379124300 /nfs/dbraw/zinc/12/43/00/379124300.db2.gz OTLGHPIFUPKDSC-LZWOXQAQSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000513076383 379124307 /nfs/dbraw/zinc/12/43/07/379124307.db2.gz OTLGHPIFUPKDSC-LZWOXQAQSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000513076383 379124314 /nfs/dbraw/zinc/12/43/14/379124314.db2.gz OTLGHPIFUPKDSC-LZWOXQAQSA-N 2 1 265.445 2.076 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180312753 542263310 /nfs/dbraw/zinc/26/33/10/542263310.db2.gz WTLGGSNHUDJUOK-MJBXVCDLSA-N 2 1 294.443 2.258 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000180442378 542263854 /nfs/dbraw/zinc/26/38/54/542263854.db2.gz AOGXHVARLOZNIN-QWRGUYRKSA-N 2 1 261.373 2.210 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000300415425 379168982 /nfs/dbraw/zinc/16/89/82/379168982.db2.gz VUOZQBHPLIFLRR-MCIONIFRSA-N 2 1 256.434 2.103 20 0 CEADMP CC[N@@H+]1C[C@@H](C)N(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000515014737 379174812 /nfs/dbraw/zinc/17/48/12/379174812.db2.gz QVMKPZXORSPAAM-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000302428676 379372974 /nfs/dbraw/zinc/37/29/74/379372974.db2.gz OFVYTKFQHDQDGN-OAHLLOKOSA-N 2 1 299.418 2.354 20 0 CEADMP C[C@H](C[NH2+]Cc1ccc2nc[nH]c2c1)C[NH+]1CCCC1 ZINC000521826521 379544430 /nfs/dbraw/zinc/54/44/30/379544430.db2.gz DXDAZWNECIBYAD-CYBMUJFWSA-N 2 1 272.396 2.384 20 0 CEADMP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1 ZINC000304705766 379593165 /nfs/dbraw/zinc/59/31/65/379593165.db2.gz KPFOYCILEYVGAC-HZPDHXFCSA-N 2 1 264.413 2.286 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)ccn1 ZINC000347659426 218311879 /nfs/dbraw/zinc/31/18/79/218311879.db2.gz AJKCLSSNPSJNKG-OCCSQVGLSA-N 2 1 263.385 2.225 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)ccn1 ZINC000347659426 218311881 /nfs/dbraw/zinc/31/18/81/218311881.db2.gz AJKCLSSNPSJNKG-OCCSQVGLSA-N 2 1 263.385 2.225 20 0 CEADMP Cc1cc(NC2CC[NH+](CCOC(C)C)CC2)nc(C)[nH+]1 ZINC000267114404 190304625 /nfs/dbraw/zinc/30/46/25/190304625.db2.gz ZIXMCAPPTJDZBG-UHFFFAOYSA-N 2 1 292.427 2.395 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)CCC(C)C)[C@@H](C)C1 ZINC000305132967 379652195 /nfs/dbraw/zinc/65/21/95/379652195.db2.gz KHPIHNXAIUAYER-JYJNAYRXSA-N 2 1 270.461 2.494 20 0 CEADMP COc1cccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000267194273 190310395 /nfs/dbraw/zinc/31/03/95/190310395.db2.gz DQXXGGXUKHGBRS-AWEZNQCLSA-N 2 1 292.423 2.193 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000267210721 190312184 /nfs/dbraw/zinc/31/21/84/190312184.db2.gz HJVAPDWXENJRSF-BMGDILEWSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000267210721 190312185 /nfs/dbraw/zinc/31/21/85/190312185.db2.gz HJVAPDWXENJRSF-BMGDILEWSA-N 2 1 288.435 2.258 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C[C@H](C)O)C(C)C ZINC000305677851 379727939 /nfs/dbraw/zinc/72/79/39/379727939.db2.gz MIVWABSEHCUNHK-ZDUSSCGKSA-N 2 1 253.390 2.063 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C[C@H](C)O)C(C)C ZINC000305677851 379727944 /nfs/dbraw/zinc/72/79/44/379727944.db2.gz MIVWABSEHCUNHK-ZDUSSCGKSA-N 2 1 253.390 2.063 20 0 CEADMP CCC1(CO)CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000305694317 379730715 /nfs/dbraw/zinc/73/07/15/379730715.db2.gz BSVFQPYHLRZWFS-UHFFFAOYSA-N 2 1 265.401 2.066 20 0 CEADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1Cc2ccccc2[C@H]1O ZINC000305721651 379741534 /nfs/dbraw/zinc/74/15/34/379741534.db2.gz PORDAKVSCWYBDO-KBAYOESNSA-N 2 1 288.435 2.451 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1Cc2ccccc2[C@H]1O ZINC000305721651 379741541 /nfs/dbraw/zinc/74/15/41/379741541.db2.gz PORDAKVSCWYBDO-KBAYOESNSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1Cc2ccccc2[C@H]1O ZINC000305721651 379741546 /nfs/dbraw/zinc/74/15/46/379741546.db2.gz PORDAKVSCWYBDO-KBAYOESNSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1Cc2ccccc2[C@H]1O ZINC000305721651 379741554 /nfs/dbraw/zinc/74/15/54/379741554.db2.gz PORDAKVSCWYBDO-KBAYOESNSA-N 2 1 288.435 2.451 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(CO)ccc3F)CC[C@@H]21 ZINC000528409048 379962230 /nfs/dbraw/zinc/96/22/30/379962230.db2.gz WCUAHRDXTFPEFS-YOEHRIQHSA-N 2 1 292.398 2.234 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(CO)ccc3F)CC[C@@H]21 ZINC000528409048 379962233 /nfs/dbraw/zinc/96/22/33/379962233.db2.gz WCUAHRDXTFPEFS-YOEHRIQHSA-N 2 1 292.398 2.234 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(CO)ccc3F)CC[C@@H]21 ZINC000528409048 379962239 /nfs/dbraw/zinc/96/22/39/379962239.db2.gz WCUAHRDXTFPEFS-YOEHRIQHSA-N 2 1 292.398 2.234 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(CO)ccc3F)CC[C@@H]21 ZINC000528409048 379962242 /nfs/dbraw/zinc/96/22/42/379962242.db2.gz WCUAHRDXTFPEFS-YOEHRIQHSA-N 2 1 292.398 2.234 20 0 CEADMP C[C@H]1C[C@H](N(C)Cc2ncc(C[NH+](C)C)s2)CC[N@@H+]1C ZINC000347888568 218391086 /nfs/dbraw/zinc/39/10/86/218391086.db2.gz WEMYYSLTEXLAPV-QWHCGFSZSA-N 2 1 296.484 2.119 20 0 CEADMP C[C@H]1C[C@H](N(C)Cc2ncc(C[NH+](C)C)s2)CC[N@H+]1C ZINC000347888568 218391088 /nfs/dbraw/zinc/39/10/88/218391088.db2.gz WEMYYSLTEXLAPV-QWHCGFSZSA-N 2 1 296.484 2.119 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CS1 ZINC000488444247 380094158 /nfs/dbraw/zinc/09/41/58/380094158.db2.gz CPIYIBVXSSZUQS-KGLIPLIRSA-N 2 1 254.443 2.368 20 0 CEADMP COCCSCCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000488453977 380097083 /nfs/dbraw/zinc/09/70/83/380097083.db2.gz XRMMLIXQZRQJKY-AWEZNQCLSA-N 2 1 274.474 2.030 20 0 CEADMP COCCSCCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000488453977 380097087 /nfs/dbraw/zinc/09/70/87/380097087.db2.gz XRMMLIXQZRQJKY-AWEZNQCLSA-N 2 1 274.474 2.030 20 0 CEADMP COCCSCCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000488453977 380097090 /nfs/dbraw/zinc/09/70/90/380097090.db2.gz XRMMLIXQZRQJKY-AWEZNQCLSA-N 2 1 274.474 2.030 20 0 CEADMP C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000488515449 380107919 /nfs/dbraw/zinc/10/79/19/380107919.db2.gz KYBBWWNSSJDJDC-NXHRZFHOSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[C@@H]1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000488515449 380107923 /nfs/dbraw/zinc/10/79/23/380107923.db2.gz KYBBWWNSSJDJDC-NXHRZFHOSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000488515449 380107927 /nfs/dbraw/zinc/10/79/27/380107927.db2.gz KYBBWWNSSJDJDC-NXHRZFHOSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000488515449 380107934 /nfs/dbraw/zinc/10/79/34/380107934.db2.gz KYBBWWNSSJDJDC-NXHRZFHOSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000488515449 380107940 /nfs/dbraw/zinc/10/79/40/380107940.db2.gz KYBBWWNSSJDJDC-NXHRZFHOSA-N 2 1 288.435 2.211 20 0 CEADMP c1cn2c([nH+]1)C[C@H](Nc1cc(N3CCCCC3)ncn1)CC2 ZINC000489895079 380219606 /nfs/dbraw/zinc/21/96/06/380219606.db2.gz GHFFBLMHDDTPSZ-CYBMUJFWSA-N 2 1 298.394 2.090 20 0 CEADMP C[C@@H](O)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000542812028 380314286 /nfs/dbraw/zinc/31/42/86/380314286.db2.gz RTMKDOKDMLPUFN-LAVFITLUSA-N 2 1 288.435 2.258 20 0 CEADMP Cc1ncsc1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000334482362 380474872 /nfs/dbraw/zinc/47/48/72/380474872.db2.gz WQEAWOYBZHUFED-JQWIXIFHSA-N 2 1 253.415 2.366 20 0 CEADMP Cn1cncc1CC[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000334555871 380584338 /nfs/dbraw/zinc/58/43/38/380584338.db2.gz ZTVHLYAWEBWTCL-GOSISDBHSA-N 2 1 297.402 2.484 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000552100495 380684273 /nfs/dbraw/zinc/68/42/73/380684273.db2.gz KOGMMXUINQKWOO-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000552100495 380684276 /nfs/dbraw/zinc/68/42/76/380684276.db2.gz KOGMMXUINQKWOO-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000552100188 380684801 /nfs/dbraw/zinc/68/48/01/380684801.db2.gz BGXCTKIRYGIHOX-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000552100188 380684804 /nfs/dbraw/zinc/68/48/04/380684804.db2.gz BGXCTKIRYGIHOX-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000552100188 380684805 /nfs/dbraw/zinc/68/48/05/380684805.db2.gz BGXCTKIRYGIHOX-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000492874760 380716184 /nfs/dbraw/zinc/71/61/84/380716184.db2.gz QFEOOZSOGYTLAH-QLFBSQMISA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccnc1 ZINC000092750629 184625299 /nfs/dbraw/zinc/62/52/99/184625299.db2.gz ADQYHNLRTVCMPP-GJZGRUSLSA-N 2 1 289.423 2.233 20 0 CEADMP c1cnn(-c2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c2)c1 ZINC000335268161 208063432 /nfs/dbraw/zinc/06/34/32/208063432.db2.gz DEBIOZDCCJBOER-CALCHBBNSA-N 2 1 296.418 2.304 20 0 CEADMP Cc1ccsc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335271875 208072002 /nfs/dbraw/zinc/07/20/02/208072002.db2.gz XAVRMBOMVDPPPW-BETUJISGSA-N 2 1 250.411 2.488 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([NH3+])CC2)c1 ZINC000335340241 208228713 /nfs/dbraw/zinc/22/87/13/208228713.db2.gz MMQROSNLHPYREV-UHFFFAOYSA-N 2 1 270.380 2.308 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)CC2(C)C)CC1 ZINC000350254359 219003137 /nfs/dbraw/zinc/00/31/37/219003137.db2.gz OXFBUDPJQZBDMQ-CQSZACIVSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[S@@](C)=O)cc2)CC[N@H+]1C ZINC000353831282 220355623 /nfs/dbraw/zinc/35/56/23/220355623.db2.gz VRJSINCGMGKMIV-OWDMVUQNSA-N 2 1 294.464 2.137 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC000246485776 285237299 /nfs/dbraw/zinc/23/72/99/285237299.db2.gz RPIYCIUVOMFJKE-GOEBONIOSA-N 2 1 268.445 2.369 20 0 CEADMP CCOCC[N@@H+](CC)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093678226 184705045 /nfs/dbraw/zinc/70/50/45/184705045.db2.gz CONPHQCQRINEPA-GOOCMWNKSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1[nH+]ccc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Cl ZINC000357323983 533638527 /nfs/dbraw/zinc/63/85/27/533638527.db2.gz NPSUJXMDOZBFNO-TXEJJXNPSA-N 2 1 297.830 2.377 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342091731 130306718 /nfs/dbraw/zinc/30/67/18/130306718.db2.gz CMGVMYKBHGRMGD-XIRDDKMYSA-N 2 1 287.407 2.204 20 0 CEADMP Cc1cc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)oc1C ZINC000282199304 291987857 /nfs/dbraw/zinc/98/78/57/291987857.db2.gz NXDIFNIQETUTFD-KBPBESRZSA-N 2 1 279.428 2.183 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421367571 394513677 /nfs/dbraw/zinc/51/36/77/394513677.db2.gz FBSHTLVRXNFYED-UHFFFAOYSA-N 3 1 276.428 2.110 20 0 CEADMP C[NH+](CCC[N@H+](C)[C@@H]1CCSC1)[C@H]1CCSC1 ZINC000245740933 394504654 /nfs/dbraw/zinc/50/46/54/394504654.db2.gz DXKRJQIVYBPUKF-BETUJISGSA-N 2 1 274.499 2.251 20 0 CEADMP C[NH+](CCC[N@@H+](C)[C@@H]1CCSC1)[C@H]1CCSC1 ZINC000245740933 394504657 /nfs/dbraw/zinc/50/46/57/394504657.db2.gz DXKRJQIVYBPUKF-BETUJISGSA-N 2 1 274.499 2.251 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000044534913 394506810 /nfs/dbraw/zinc/50/68/10/394506810.db2.gz HJCOHMUJOIIGQJ-ZIAGYGMSSA-N 2 1 290.407 2.450 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000044534911 394507216 /nfs/dbraw/zinc/50/72/16/394507216.db2.gz HJCOHMUJOIIGQJ-UONOGXRCSA-N 2 1 290.407 2.450 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248215268 394537859 /nfs/dbraw/zinc/53/78/59/394537859.db2.gz ZNIBMUOUHPCDRS-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248215268 394537862 /nfs/dbraw/zinc/53/78/62/394537862.db2.gz ZNIBMUOUHPCDRS-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248215268 394537863 /nfs/dbraw/zinc/53/78/63/394537863.db2.gz ZNIBMUOUHPCDRS-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248215268 394537864 /nfs/dbraw/zinc/53/78/64/394537864.db2.gz ZNIBMUOUHPCDRS-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000311979709 394539580 /nfs/dbraw/zinc/53/95/80/394539580.db2.gz MMXXUEXPPRCKHB-ZBFHGGJFSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000311979709 394539584 /nfs/dbraw/zinc/53/95/84/394539584.db2.gz MMXXUEXPPRCKHB-ZBFHGGJFSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000311979709 394539588 /nfs/dbraw/zinc/53/95/88/394539588.db2.gz MMXXUEXPPRCKHB-ZBFHGGJFSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000311979709 394539590 /nfs/dbraw/zinc/53/95/90/394539590.db2.gz MMXXUEXPPRCKHB-ZBFHGGJFSA-N 2 1 268.445 2.200 20 0 CEADMP COc1cc(F)cc(C[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000312255113 394540655 /nfs/dbraw/zinc/54/06/55/394540655.db2.gz JDAZDZXFSQJUMA-NSHDSACASA-N 2 1 254.349 2.122 20 0 CEADMP C([NH2+]CC1CCCCCC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666363 394658135 /nfs/dbraw/zinc/65/81/35/394658135.db2.gz YICLFRDTLRWMTK-HZPDHXFCSA-N 2 1 266.429 2.410 20 0 CEADMP C([NH2+]CC1CCCCCC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666363 394658136 /nfs/dbraw/zinc/65/81/36/394658136.db2.gz YICLFRDTLRWMTK-HZPDHXFCSA-N 2 1 266.429 2.410 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000093452765 394666187 /nfs/dbraw/zinc/66/61/87/394666187.db2.gz RGIAQMFRJSYGGZ-BBWFWOEESA-N 2 1 279.472 2.229 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000258696436 394597075 /nfs/dbraw/zinc/59/70/75/394597075.db2.gz GIWLQEUJUGXJDF-UHFFFAOYSA-N 2 1 250.386 2.353 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000258696436 394597081 /nfs/dbraw/zinc/59/70/81/394597081.db2.gz GIWLQEUJUGXJDF-UHFFFAOYSA-N 2 1 250.386 2.353 20 0 CEADMP COC1([C@@H](C)[NH2+]CC2([NH+](C)C)CCOCC2)CCCC1 ZINC000421840568 394612154 /nfs/dbraw/zinc/61/21/54/394612154.db2.gz ZUZKDNANCVUADT-CQSZACIVSA-N 2 1 284.444 2.035 20 0 CEADMP CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422709429 394732100 /nfs/dbraw/zinc/73/21/00/394732100.db2.gz DFWSZUNGBMGXBW-STQMWFEESA-N 2 1 278.444 2.230 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CN[C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422737176 394748870 /nfs/dbraw/zinc/74/88/70/394748870.db2.gz HTIUHXVPSJTMQA-YOEHRIQHSA-N 2 1 275.440 2.368 20 0 CEADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000422716261 394737199 /nfs/dbraw/zinc/73/71/99/394737199.db2.gz UBBYNNPDXWRLLO-WFVVYAPDSA-N 2 1 291.414 2.301 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414709781 394749426 /nfs/dbraw/zinc/74/94/26/394749426.db2.gz QBICPCLWFIJTCQ-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414709781 394749429 /nfs/dbraw/zinc/74/94/29/394749429.db2.gz QBICPCLWFIJTCQ-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414709781 394749432 /nfs/dbraw/zinc/74/94/32/394749432.db2.gz QBICPCLWFIJTCQ-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc2c1OCC2 ZINC000357040579 394690180 /nfs/dbraw/zinc/69/01/80/394690180.db2.gz BWAIDPTYKYTAOO-IRXDYDNUSA-N 2 1 286.419 2.095 20 0 CEADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@H]1CC1(C)C ZINC000414085934 394698906 /nfs/dbraw/zinc/69/89/06/394698906.db2.gz ZAJGOEKRTIMMQL-CABCVRRESA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000268786116 394699189 /nfs/dbraw/zinc/69/91/89/394699189.db2.gz ZWUSEVJODCXHNF-AVRGHOLYSA-N 2 1 280.387 2.177 20 0 CEADMP CCc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2[NH3+])N(C)C)cc1 ZINC000422733497 394746262 /nfs/dbraw/zinc/74/62/62/394746262.db2.gz QWNKADBLXFECIH-IKGGRYGDSA-N 2 1 275.440 2.321 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccsc2)[C@@H](C)C1 ZINC000269051302 394709531 /nfs/dbraw/zinc/70/95/31/394709531.db2.gz XUEWQZGHDSMIRC-UBHSHLNASA-N 2 1 268.426 2.101 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC000358120489 394710156 /nfs/dbraw/zinc/71/01/56/394710156.db2.gz PPMYLBMGOGGAGP-VMBOVVBDSA-N 2 1 282.472 2.495 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC000358120489 394710158 /nfs/dbraw/zinc/71/01/58/394710158.db2.gz PPMYLBMGOGGAGP-VMBOVVBDSA-N 2 1 282.472 2.495 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)n21 ZINC000422563854 394712858 /nfs/dbraw/zinc/71/28/58/394712858.db2.gz UPPTURHHOYJNMS-QEJZJMRPSA-N 2 1 286.423 2.448 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1C[NH3+] ZINC000422564956 394712972 /nfs/dbraw/zinc/71/29/72/394712972.db2.gz XCEGYNHZGGVEMO-VNHYZAJKSA-N 2 1 278.444 2.443 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1C[NH3+] ZINC000422564956 394712974 /nfs/dbraw/zinc/71/29/74/394712974.db2.gz XCEGYNHZGGVEMO-VNHYZAJKSA-N 2 1 278.444 2.443 20 0 CEADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358264023 394714994 /nfs/dbraw/zinc/71/49/94/394714994.db2.gz YBIHEDOOSUXYPK-LVQVYYBASA-N 2 1 268.445 2.103 20 0 CEADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358264023 394714997 /nfs/dbraw/zinc/71/49/97/394714997.db2.gz YBIHEDOOSUXYPK-LVQVYYBASA-N 2 1 268.445 2.103 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)SC)[C@@H](C)C1 ZINC000358329883 394717954 /nfs/dbraw/zinc/71/79/54/394717954.db2.gz PSJZMPRJNNILNF-ZNMIVQPWSA-N 2 1 288.501 2.465 20 0 CEADMP Fc1ccc(OCCC[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422642303 394723299 /nfs/dbraw/zinc/72/32/99/394723299.db2.gz ZDXKKFIBMYKPQP-UHFFFAOYSA-N 2 1 278.371 2.423 20 0 CEADMP C[C@H](NCC[N@@H+](C)C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422704172 394728662 /nfs/dbraw/zinc/72/86/62/394728662.db2.gz OSWUWTWDJDSBLX-HOCLYGCPSA-N 2 1 267.461 2.371 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000414750790 394751328 /nfs/dbraw/zinc/75/13/28/394751328.db2.gz YTSJOECUGPGUEG-GJZGRUSLSA-N 2 1 254.418 2.108 20 0 CEADMP C[C@@H]([NH2+]Cc1cc(F)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000414822559 394752433 /nfs/dbraw/zinc/75/24/33/394752433.db2.gz AMIKSNVPPXSKPP-GHMZBOCLSA-N 2 1 254.324 2.443 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@@H+](C)C1CCCC1 ZINC000422742177 394753196 /nfs/dbraw/zinc/75/31/96/394753196.db2.gz POFLRJRIFKRWPN-YJBOKZPZSA-N 2 1 289.467 2.409 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@@H+](C)C1CCCC1 ZINC000422742174 394753630 /nfs/dbraw/zinc/75/36/30/394753630.db2.gz POFLRJRIFKRWPN-CRAIPNDOSA-N 2 1 289.467 2.409 20 0 CEADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1C ZINC000335254564 394753869 /nfs/dbraw/zinc/75/38/69/394753869.db2.gz YVOKTKHHTNDSNR-QGZVFWFLSA-N 2 1 288.435 2.491 20 0 CEADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000422747971 394756467 /nfs/dbraw/zinc/75/64/67/394756467.db2.gz ZZTAMCARAODTSB-SDDRHHMPSA-N 2 1 297.468 2.283 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000422748847 394757800 /nfs/dbraw/zinc/75/78/00/394757800.db2.gz WNMYYSGVWSXZLU-NWDGAFQWSA-N 2 1 267.392 2.103 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NCC[N@H+](C)Cc1ccccc1 ZINC000422750464 394758892 /nfs/dbraw/zinc/75/88/92/394758892.db2.gz AYWAHXAKVXOFRP-NVXWUHKLSA-N 2 1 275.440 2.096 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NCC[N@@H+](C)Cc1ccccc1 ZINC000422750464 394758893 /nfs/dbraw/zinc/75/88/93/394758893.db2.gz AYWAHXAKVXOFRP-NVXWUHKLSA-N 2 1 275.440 2.096 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H](C)CCCC[NH3+])CC2)[nH+]1 ZINC000422750557 394758982 /nfs/dbraw/zinc/75/89/82/394758982.db2.gz AAQIASQRSIBCSP-AWEZNQCLSA-N 3 1 290.455 2.466 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC000414834585 394761189 /nfs/dbraw/zinc/76/11/89/394761189.db2.gz GRCHXQIFRIVNRS-GFCCVEGCSA-N 2 1 290.386 2.265 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]C2)C1 ZINC000414833906 394761404 /nfs/dbraw/zinc/76/14/04/394761404.db2.gz RUQCJBBDZJQVHL-NUJGCVRESA-N 2 1 287.451 2.411 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000414833906 394761407 /nfs/dbraw/zinc/76/14/07/394761407.db2.gz RUQCJBBDZJQVHL-NUJGCVRESA-N 2 1 287.451 2.411 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422755306 394761657 /nfs/dbraw/zinc/76/16/57/394761657.db2.gz BBZDFXKICBDULP-DOMZBBRYSA-N 2 1 262.372 2.445 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(-n3cncn3)cc2)CCCCC1 ZINC000414837963 394763590 /nfs/dbraw/zinc/76/35/90/394763590.db2.gz HQWMMCVCCBKUBM-UHFFFAOYSA-N 2 1 285.395 2.019 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000422759844 394764059 /nfs/dbraw/zinc/76/40/59/394764059.db2.gz KGCOMPIYCDHWMB-CHWSQXEVSA-N 2 1 258.369 2.088 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422762578 394766578 /nfs/dbraw/zinc/76/65/78/394766578.db2.gz IJENSSWBVMQIPI-OAGGEKHMSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422762578 394766581 /nfs/dbraw/zinc/76/65/81/394766581.db2.gz IJENSSWBVMQIPI-OAGGEKHMSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422762578 394766586 /nfs/dbraw/zinc/76/65/86/394766586.db2.gz IJENSSWBVMQIPI-OAGGEKHMSA-N 3 1 267.461 2.229 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422763649 394767916 /nfs/dbraw/zinc/76/79/16/394767916.db2.gz UGSZMHIJUFCTLP-OIISXLGYSA-N 2 1 275.440 2.019 20 0 CEADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414848114 394768348 /nfs/dbraw/zinc/76/83/48/394768348.db2.gz PMZJFZBAQSBBKA-SMDDNHRTSA-N 2 1 295.814 2.399 20 0 CEADMP Cc1cc(C[NH2+]CC2([NH3+])CCCCC2)ccc1-n1cncn1 ZINC000414850686 394770592 /nfs/dbraw/zinc/77/05/92/394770592.db2.gz ZNAXVCBZJWMUAW-UHFFFAOYSA-N 2 1 299.422 2.327 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000422771770 394773264 /nfs/dbraw/zinc/77/32/64/394773264.db2.gz YOZSRXLJYBETCK-APIJFGDWSA-N 2 1 268.445 2.415 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cnccc1N ZINC000422775803 394775371 /nfs/dbraw/zinc/77/53/71/394775371.db2.gz CKCXKPCWTBYJHX-LBPRGKRZSA-N 2 1 273.384 2.130 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C12CCC2 ZINC000422775670 394775513 /nfs/dbraw/zinc/77/55/13/394775513.db2.gz BBLDLFZKJPBIIN-YIYPIFLZSA-N 2 1 252.402 2.064 20 0 CEADMP CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272575778 394776106 /nfs/dbraw/zinc/77/61/06/394776106.db2.gz IXGZKJBRSMJQIQ-DJIMGWMZSA-N 2 1 276.424 2.258 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@H]2CCCCN2)CC1 ZINC000422779284 394778479 /nfs/dbraw/zinc/77/84/79/394778479.db2.gz FSMSAEZPMAHZOW-GOEBONIOSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414875071 394783472 /nfs/dbraw/zinc/78/34/72/394783472.db2.gz ZQGJXXCATSJZKS-TZMCWYRMSA-N 2 1 276.380 2.078 20 0 CEADMP COCC1(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CCC1 ZINC000361318828 394823964 /nfs/dbraw/zinc/82/39/64/394823964.db2.gz QCUUUEKZFSBPNW-MRXNPFEDSA-N 2 1 280.456 2.467 20 0 CEADMP COCC1(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)CCC1 ZINC000361318828 394823968 /nfs/dbraw/zinc/82/39/68/394823968.db2.gz QCUUUEKZFSBPNW-MRXNPFEDSA-N 2 1 280.456 2.467 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000360034274 394784246 /nfs/dbraw/zinc/78/42/46/394784246.db2.gz BSBGQAKAHOULRS-NCOADZHNSA-N 2 1 296.455 2.035 20 0 CEADMP COCC1(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCC1 ZINC000361318828 394823970 /nfs/dbraw/zinc/82/39/70/394823970.db2.gz QCUUUEKZFSBPNW-MRXNPFEDSA-N 2 1 280.456 2.467 20 0 CEADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422791780 394789516 /nfs/dbraw/zinc/78/95/16/394789516.db2.gz DEYRROFDKLVGCO-HUUCEWRRSA-N 2 1 275.396 2.251 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422792094 394789703 /nfs/dbraw/zinc/78/97/03/394789703.db2.gz WYLAYJDSCXVSNI-HOTGVXAUSA-N 3 1 267.461 2.086 20 0 CEADMP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2[NH3+])N(C)C)cc1 ZINC000422792504 394790477 /nfs/dbraw/zinc/79/04/77/394790477.db2.gz XCPZNZGKUGEZEY-PMPSAXMXSA-N 2 1 261.413 2.067 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1OC(F)F ZINC000414889387 394790705 /nfs/dbraw/zinc/79/07/05/394790705.db2.gz GIQOATMVLQOPOL-NSHDSACASA-N 2 1 286.322 2.124 20 0 CEADMP Cc1ccc2cc(C[NH2+]C[C@@H]([NH3+])C3CC3)ccc2n1 ZINC000414895749 394794018 /nfs/dbraw/zinc/79/40/18/394794018.db2.gz ZHINDLJVLZAZKK-OAHLLOKOSA-N 2 1 255.365 2.370 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000121215887 394794123 /nfs/dbraw/zinc/79/41/23/394794123.db2.gz LLFWYWANOYOUAB-KRWDZBQOSA-N 2 1 298.434 2.363 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000121215887 394794126 /nfs/dbraw/zinc/79/41/26/394794126.db2.gz LLFWYWANOYOUAB-KRWDZBQOSA-N 2 1 298.434 2.363 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1ccc(OC(F)F)cc1)C1CC1 ZINC000414897595 394794616 /nfs/dbraw/zinc/79/46/16/394794616.db2.gz RWKKHJNEGQGROL-GFCCVEGCSA-N 2 1 256.296 2.115 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1cccc(OCc2ccccn2)c1)C1CC1 ZINC000414897572 394794746 /nfs/dbraw/zinc/79/47/46/394794746.db2.gz RQEMVDWTSZYJOO-SFHVURJKSA-N 2 1 297.402 2.488 20 0 CEADMP CCc1ncc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000414913819 394801565 /nfs/dbraw/zinc/80/15/65/394801565.db2.gz WYOOXEIJOVCTEN-ZDUSSCGKSA-N 2 1 253.415 2.185 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000414919118 394803880 /nfs/dbraw/zinc/80/38/80/394803880.db2.gz WBUQSSAHMWSMAZ-OKYOBFRVSA-N 2 1 299.462 2.096 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000414919118 394803885 /nfs/dbraw/zinc/80/38/85/394803885.db2.gz WBUQSSAHMWSMAZ-OKYOBFRVSA-N 3 1 299.462 2.096 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000414919118 394803888 /nfs/dbraw/zinc/80/38/88/394803888.db2.gz WBUQSSAHMWSMAZ-OKYOBFRVSA-N 3 1 299.462 2.096 20 0 CEADMP C[C@H](CCN[C@@H]1C[NH2+]CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000422818235 394809165 /nfs/dbraw/zinc/80/91/65/394809165.db2.gz FSXOVZTWNQDCGV-JFIYKMOQSA-N 2 1 289.467 2.485 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1c[nH+]ccc1N ZINC000422823105 394812431 /nfs/dbraw/zinc/81/24/31/394812431.db2.gz LDPFQHXZBPNGEZ-NILFDRSVSA-N 2 1 263.385 2.086 20 0 CEADMP C[C@H]([NH2+]CCc1ccc(-n2cccn2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422824472 394813588 /nfs/dbraw/zinc/81/35/88/394813588.db2.gz NTOFOKNYQWCRDC-YOEHRIQHSA-N 2 1 284.407 2.145 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414945798 394816831 /nfs/dbraw/zinc/81/68/31/394816831.db2.gz SDYQQIHEFGXLIH-MWLCHTKSSA-N 2 1 284.306 2.096 20 0 CEADMP C[C@@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422830152 394817101 /nfs/dbraw/zinc/81/71/01/394817101.db2.gz IFFKYGFMHOLTSH-NXHRZFHOSA-N 2 1 287.451 2.381 20 0 CEADMP CC1CCC(CN2CCO[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000336028394 394819315 /nfs/dbraw/zinc/81/93/15/394819315.db2.gz BGBDLYDDGQKYIX-FJBKBRRZSA-N 2 1 266.429 2.218 20 0 CEADMP COC[C@@]1(C[NH2+][C@@H](C)Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000414952586 394821615 /nfs/dbraw/zinc/82/16/15/394821615.db2.gz IPOKVRFABVILCE-BBRMVZONSA-N 2 1 280.387 2.115 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414709783 394749904 /nfs/dbraw/zinc/74/99/04/394749904.db2.gz QBICPCLWFIJTCQ-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414709783 394749908 /nfs/dbraw/zinc/74/99/08/394749908.db2.gz QBICPCLWFIJTCQ-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414709783 394749911 /nfs/dbraw/zinc/74/99/11/394749911.db2.gz QBICPCLWFIJTCQ-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414952723 394821983 /nfs/dbraw/zinc/82/19/83/394821983.db2.gz ITOZMGWCZFMPHH-IAQYHMDHSA-N 2 1 278.444 2.343 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1OC ZINC000415054837 394867411 /nfs/dbraw/zinc/86/74/11/394867411.db2.gz NUDGHWTUMNOGNZ-AWEZNQCLSA-N 2 1 266.385 2.167 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000415058135 394868845 /nfs/dbraw/zinc/86/88/45/394868845.db2.gz SPVSOVHTHDOAHZ-AWEZNQCLSA-N 2 1 263.385 2.108 20 0 CEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363794746 394885990 /nfs/dbraw/zinc/88/59/90/394885990.db2.gz WUKXOAXUCANPJR-BYNSBNAKSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363794746 394885994 /nfs/dbraw/zinc/88/59/94/394885994.db2.gz WUKXOAXUCANPJR-BYNSBNAKSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1nc(C)c(C[NH2+][C@@H](C[NH3+])C2CCCC2)s1 ZINC000415063170 394871017 /nfs/dbraw/zinc/87/10/17/394871017.db2.gz GXMHNWWWKGFQID-LBPRGKRZSA-N 2 1 253.415 2.367 20 0 CEADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1F ZINC000415068231 394873004 /nfs/dbraw/zinc/87/30/04/394873004.db2.gz QUHACXURIHWWFB-CQSZACIVSA-N 2 1 266.360 2.441 20 0 CEADMP C[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1c[nH+]ccc1N ZINC000422989934 394875192 /nfs/dbraw/zinc/87/51/92/394875192.db2.gz MQCLYWCVSRAFNO-HEHGZKQESA-N 2 1 277.412 2.476 20 0 CEADMP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415072206 394875875 /nfs/dbraw/zinc/87/58/75/394875875.db2.gz LXOXXJFPVGJTAR-JSGCOSHPSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415072205 394876079 /nfs/dbraw/zinc/87/60/79/394876079.db2.gz LXOXXJFPVGJTAR-GXTWGEPZSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCOCC(F)(F)F)CC[N@H+]1C ZINC000130018180 394879279 /nfs/dbraw/zinc/87/92/79/394879279.db2.gz HQJVMAIRSLBXML-MNOVXSKESA-N 2 1 268.323 2.028 20 0 CEADMP c1sc(CCC[NH2+][C@@H]2CC[NH2+]C2)nc1-c1ccncc1 ZINC000415078579 394879473 /nfs/dbraw/zinc/87/94/73/394879473.db2.gz GPOITXHADBJNCG-CYBMUJFWSA-N 2 1 288.420 2.089 20 0 CEADMP Cn1nccc1[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000336825397 394880286 /nfs/dbraw/zinc/88/02/86/394880286.db2.gz YKACZTIRWPHPPA-GJZGRUSLSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1nccc1[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336825397 394880290 /nfs/dbraw/zinc/88/02/90/394880290.db2.gz YKACZTIRWPHPPA-GJZGRUSLSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1nccc1[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000336825397 394880293 /nfs/dbraw/zinc/88/02/93/394880293.db2.gz YKACZTIRWPHPPA-GJZGRUSLSA-N 2 1 276.428 2.084 20 0 CEADMP COC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1ccc(F)c(F)c1 ZINC000423012024 394880927 /nfs/dbraw/zinc/88/09/27/394880927.db2.gz BUZGRICMTKLMKB-RBZYPMLTSA-N 2 1 272.339 2.368 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000414964294 394828207 /nfs/dbraw/zinc/82/82/07/394828207.db2.gz USPSRHBRZOQDLE-ZWNOBZJWSA-N 2 1 296.798 2.199 20 0 CEADMP CCN(CC)c1ncc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)s1 ZINC000414968919 394830704 /nfs/dbraw/zinc/83/07/04/394830704.db2.gz YRLKRACLQKQSMB-YPMHNXCESA-N 2 1 282.457 2.077 20 0 CEADMP CCN(CC)c1ncc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000414968908 394830728 /nfs/dbraw/zinc/83/07/28/394830728.db2.gz YRLKRACLQKQSMB-AAEUAGOBSA-N 2 1 282.457 2.077 20 0 CEADMP CC[C@H]([NH3+])CN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414977319 394833282 /nfs/dbraw/zinc/83/32/82/394833282.db2.gz JPCXJFPCQRCLLY-KBMXLJTQSA-N 2 1 261.413 2.149 20 0 CEADMP C[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000422861180 394835020 /nfs/dbraw/zinc/83/50/20/394835020.db2.gz MMVNLHWLZUPVGT-KLHDSHLOSA-N 3 1 267.461 2.356 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422874934 394843871 /nfs/dbraw/zinc/84/38/71/394843871.db2.gz DQDWGLOPRUMSHW-KKUMJFAQSA-N 3 1 255.450 2.356 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422883653 394848105 /nfs/dbraw/zinc/84/81/05/394848105.db2.gz VISXBSSFTAEHIN-CABCVRRESA-N 2 1 274.412 2.041 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cncs1 ZINC000128980574 394856765 /nfs/dbraw/zinc/85/67/65/394856765.db2.gz PQEALVWCDPEPNW-MNOVXSKESA-N 2 1 251.399 2.278 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cncs1 ZINC000128980574 394856768 /nfs/dbraw/zinc/85/67/68/394856768.db2.gz PQEALVWCDPEPNW-MNOVXSKESA-N 2 1 251.399 2.278 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423027618 394884388 /nfs/dbraw/zinc/88/43/88/394884388.db2.gz DSIPDDXLSRMEKZ-IKGGRYGDSA-N 2 1 276.424 2.100 20 0 CEADMP COC(=O)[C@](C)(C[NH2+]C[C@@H]([NH3+])CC(C)C)c1ccccc1 ZINC000415116034 394894227 /nfs/dbraw/zinc/89/42/27/394894227.db2.gz YXRGJMUPKWKIRU-DOTOQJQBSA-N 2 1 292.423 2.080 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000337402618 394891837 /nfs/dbraw/zinc/89/18/37/394891837.db2.gz RVLXSOPIYMOMOP-RRFJBIMHSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000415128853 394898710 /nfs/dbraw/zinc/89/87/10/394898710.db2.gz OJLDABCFEVFHAR-KRWDZBQOSA-N 2 1 299.422 2.191 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccn2)c2cccnc2)CC[NH2+]1 ZINC000423368189 394903425 /nfs/dbraw/zinc/90/34/25/394903425.db2.gz DURSOJGDFABARY-FHLIZLRMSA-N 2 1 296.418 2.491 20 0 CEADMP C[NH2+][C@H](C)C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000423375514 394907144 /nfs/dbraw/zinc/90/71/44/394907144.db2.gz AGUQEOKVWYFIPI-CHWSQXEVSA-N 2 1 280.412 2.141 20 0 CEADMP C[C@@H](CN)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423389807 394911260 /nfs/dbraw/zinc/91/12/60/394911260.db2.gz JTQHRTNQRCQTQM-OOHWJJMZSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@@H](C[NH3+])[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423389807 394911261 /nfs/dbraw/zinc/91/12/61/394911261.db2.gz JTQHRTNQRCQTQM-OOHWJJMZSA-N 3 1 275.440 2.366 20 0 CEADMP C[C@@H](C[NH3+])[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423389807 394911265 /nfs/dbraw/zinc/91/12/65/394911265.db2.gz JTQHRTNQRCQTQM-OOHWJJMZSA-N 3 1 275.440 2.366 20 0 CEADMP CC[NH2+][C@H](C)CNC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000423611148 394957332 /nfs/dbraw/zinc/95/73/32/394957332.db2.gz RRXUPBQPRAZIIJ-ZBFHGGJFSA-N 2 1 291.439 2.011 20 0 CEADMP N[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2ccccc21 ZINC000423421267 394918166 /nfs/dbraw/zinc/91/81/66/394918166.db2.gz JYLUNGYMJURWCT-PYTWLRIVSA-N 2 1 273.424 2.486 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@H]3CCC(C)(C)C3)CC2)C1 ZINC000365044628 394918477 /nfs/dbraw/zinc/91/84/77/394918477.db2.gz RJHPJCAGEKKEJA-JKSUJKDBSA-N 2 1 279.472 2.277 20 0 CEADMP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423422895 394919070 /nfs/dbraw/zinc/91/90/70/394919070.db2.gz DCBZFHBNNIKZIO-AXMLXZGRSA-N 2 1 290.382 2.101 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(F)cc1 ZINC000423498768 394936157 /nfs/dbraw/zinc/93/61/57/394936157.db2.gz CBEUIRCZTPGZBT-GJZGRUSLSA-N 2 1 266.360 2.245 20 0 CEADMP C1CC1[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CCC1 ZINC000423504653 394938949 /nfs/dbraw/zinc/93/89/49/394938949.db2.gz GBQTVVHOZFYZAV-DAWZGUTISA-N 2 1 291.483 2.371 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CCCCC1 ZINC000423527248 394946268 /nfs/dbraw/zinc/94/62/68/394946268.db2.gz VNUHWKINKLPXRR-JKSUJKDBSA-N 2 1 267.461 2.229 20 0 CEADMP c1ccc(C[C@H]([NH2+]CCC[NH2+]C2CC2)c2cccnc2)nc1 ZINC000423533804 394946953 /nfs/dbraw/zinc/94/69/53/394946953.db2.gz YSAGODONZSARSJ-SFHVURJKSA-N 2 1 296.418 2.492 20 0 CEADMP Fc1cncc([C@@H]([NH2+]CCC[NH2+]C2CC2)C2CC2)c1 ZINC000423546636 394949890 /nfs/dbraw/zinc/94/98/90/394949890.db2.gz FPCVQRXDRMSDGN-HNNXBMFYSA-N 2 1 263.360 2.404 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCn2cccn2)C[C@H]1c1ccccc1 ZINC000340274912 394981404 /nfs/dbraw/zinc/98/14/04/394981404.db2.gz ADZJLFMRZDTCMX-IRXDYDNUSA-N 2 1 284.407 2.308 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCn2cccn2)C[C@H]1c1ccccc1 ZINC000340274912 394981405 /nfs/dbraw/zinc/98/14/05/394981405.db2.gz ADZJLFMRZDTCMX-IRXDYDNUSA-N 2 1 284.407 2.308 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000423781504 394983774 /nfs/dbraw/zinc/98/37/74/394983774.db2.gz XVVLKPJRVQBCAZ-GOEBONIOSA-N 2 1 291.439 2.231 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CCCn2ccnn2)C[C@@H]1c1ccccc1 ZINC000340353252 394983951 /nfs/dbraw/zinc/98/39/51/394983951.db2.gz IUISGEKRPCHKJC-IAGOWNOFSA-N 2 1 299.422 2.093 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCn2ccnn2)C[C@@H]1c1ccccc1 ZINC000340353252 394983952 /nfs/dbraw/zinc/98/39/52/394983952.db2.gz IUISGEKRPCHKJC-IAGOWNOFSA-N 2 1 299.422 2.093 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(C2CC2)c1 ZINC000340361796 394983994 /nfs/dbraw/zinc/98/39/94/394983994.db2.gz ZWNNMVYKGBLMLL-GUYCJALGSA-N 2 1 274.408 2.281 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000340361796 394983997 /nfs/dbraw/zinc/98/39/97/394983997.db2.gz ZWNNMVYKGBLMLL-GUYCJALGSA-N 2 1 274.408 2.281 20 0 CEADMP C[C@@H]1OCC[C@]12C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](C)O2 ZINC000369406986 394998917 /nfs/dbraw/zinc/99/89/17/394998917.db2.gz DPKWLEVWOGAOJX-QZWWFDLISA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1OCC[C@]12C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](C)O2 ZINC000369406986 394998920 /nfs/dbraw/zinc/99/89/20/394998920.db2.gz DPKWLEVWOGAOJX-QZWWFDLISA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1OCC[C@]12C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](C)O2 ZINC000369406986 394998921 /nfs/dbraw/zinc/99/89/21/394998921.db2.gz DPKWLEVWOGAOJX-QZWWFDLISA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1OCC[C@]12C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](C)O2 ZINC000369406986 394998923 /nfs/dbraw/zinc/99/89/23/394998923.db2.gz DPKWLEVWOGAOJX-QZWWFDLISA-N 2 1 296.455 2.129 20 0 CEADMP CC[C@@]1(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000134569872 394958106 /nfs/dbraw/zinc/95/81/06/394958106.db2.gz CHLMLPUUEPQEKS-UXLLHSPISA-N 2 1 295.471 2.003 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCO[C@H]3CCCCO3)C2)C1 ZINC000339436762 394961392 /nfs/dbraw/zinc/96/13/92/394961392.db2.gz JDUDWWCZCYJVMQ-IRXDYDNUSA-N 2 1 296.455 2.337 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCO[C@H]3CCCCO3)C2)C1 ZINC000339436762 394961395 /nfs/dbraw/zinc/96/13/95/394961395.db2.gz JDUDWWCZCYJVMQ-IRXDYDNUSA-N 2 1 296.455 2.337 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCO[C@H]3CCCCO3)C2)C1 ZINC000339436762 394961398 /nfs/dbraw/zinc/96/13/98/394961398.db2.gz JDUDWWCZCYJVMQ-IRXDYDNUSA-N 2 1 296.455 2.337 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCCO1 ZINC000339824301 394971632 /nfs/dbraw/zinc/97/16/32/394971632.db2.gz COBWBKITXBDOCU-GJZGRUSLSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1c[nH+]ccc1N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000373028933 395052471 /nfs/dbraw/zinc/05/24/71/395052471.db2.gz LKOVDJNDPBGYAQ-LZWOXQAQSA-N 2 1 257.381 2.311 20 0 CEADMP CC[C@H](C(N)=O)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158984988 395057744 /nfs/dbraw/zinc/05/77/44/395057744.db2.gz ODFVBLBMLKPUNU-GOEBONIOSA-N 2 1 295.471 2.227 20 0 CEADMP CN(CCC[NH+]1CCCC1)CC[C@H]1CCCC[N@H+]1C ZINC000162044751 395068990 /nfs/dbraw/zinc/06/89/90/395068990.db2.gz SFFNWZCWBWLSEU-MRXNPFEDSA-N 2 1 267.461 2.279 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)CCC1CCOCC1 ZINC000162250950 395072739 /nfs/dbraw/zinc/07/27/39/395072739.db2.gz IMXPJZUHLHRUNB-UHFFFAOYSA-N 2 1 254.418 2.221 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000426796877 395079562 /nfs/dbraw/zinc/07/95/62/395079562.db2.gz DNJJXCLTKUGJDM-AWEZNQCLSA-N 2 1 294.443 2.242 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000426796877 395079568 /nfs/dbraw/zinc/07/95/68/395079568.db2.gz DNJJXCLTKUGJDM-AWEZNQCLSA-N 2 1 294.443 2.242 20 0 CEADMP c1cc(O[C@@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)ccn1 ZINC000163276003 395083010 /nfs/dbraw/zinc/08/30/10/395083010.db2.gz JFRQZNSVIGLIKR-MRXNPFEDSA-N 3 1 275.396 2.021 20 0 CEADMP c1cc(O[C@@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)ccn1 ZINC000163276003 395083012 /nfs/dbraw/zinc/08/30/12/395083012.db2.gz JFRQZNSVIGLIKR-MRXNPFEDSA-N 3 1 275.396 2.021 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427101053 395092415 /nfs/dbraw/zinc/09/24/15/395092415.db2.gz ARSWRZALHIBEMG-BMFZPTHFSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427101053 395092417 /nfs/dbraw/zinc/09/24/17/395092417.db2.gz ARSWRZALHIBEMG-BMFZPTHFSA-N 2 1 266.429 2.123 20 0 CEADMP CCN(CC[NH+]1CCCCCC1)C(=O)C[N@@H+](CC)C1CC1 ZINC000346317455 395094748 /nfs/dbraw/zinc/09/47/48/395094748.db2.gz PNKHYXNRSBMXJG-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP C1CC2(C1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000158017492 395036733 /nfs/dbraw/zinc/03/67/33/395036733.db2.gz LIUMDGFEKYGTGL-RRFJBIMHSA-N 2 1 264.413 2.305 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000347042755 395117460 /nfs/dbraw/zinc/11/74/60/395117460.db2.gz MBOQOWCOMUGNKW-ZIAGYGMSSA-N 2 1 261.413 2.312 20 0 CEADMP Cc1ccsc1[C@H](CO)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000494626603 395128344 /nfs/dbraw/zinc/12/83/44/395128344.db2.gz RCRYNTPOTHKAMC-STQMWFEESA-N 2 1 268.426 2.164 20 0 CEADMP Cc1ccsc1[C@H](CO)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000494626603 395128346 /nfs/dbraw/zinc/12/83/46/395128346.db2.gz RCRYNTPOTHKAMC-STQMWFEESA-N 2 1 268.426 2.164 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000436309852 395108052 /nfs/dbraw/zinc/10/80/52/395108052.db2.gz QBLGXDBELFMKDM-LJISPDSOSA-N 2 1 282.428 2.038 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)CCCC[NH3+] ZINC000494713833 395139851 /nfs/dbraw/zinc/13/98/51/395139851.db2.gz VSSDOTZGOAMYPL-CYBMUJFWSA-N 2 1 280.416 2.030 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnc2ccc(Cl)cn12)C[NH+](C)C ZINC000291800057 395163159 /nfs/dbraw/zinc/16/31/59/395163159.db2.gz XDXLPHNZZTVTDO-NSHDSACASA-N 2 1 280.803 2.275 20 0 CEADMP CCn1cncc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000418042605 395180089 /nfs/dbraw/zinc/18/00/89/395180089.db2.gz YEFKDRPMOLVCLK-UHFFFAOYSA-N 2 1 264.417 2.115 20 0 CEADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000380322755 395167548 /nfs/dbraw/zinc/16/75/48/395167548.db2.gz ONFAQGTVPNJHSM-DOTOQJQBSA-N 2 1 274.408 2.366 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000380322755 395167556 /nfs/dbraw/zinc/16/75/56/395167556.db2.gz ONFAQGTVPNJHSM-DOTOQJQBSA-N 2 1 274.408 2.366 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)CC(C)(C)C ZINC000178432108 395167690 /nfs/dbraw/zinc/16/76/90/395167690.db2.gz ISAXNHVLMYVBTL-SYQHCUMBSA-N 2 1 256.434 2.102 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CC12CCOCC2 ZINC000437026929 395174081 /nfs/dbraw/zinc/17/40/81/395174081.db2.gz XNTAFMGLHFSNSL-KBUPBQIOSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000350067027 395178780 /nfs/dbraw/zinc/17/87/80/395178780.db2.gz CQGMXTXTJZTGET-BPQIPLTHSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000350067027 395178785 /nfs/dbraw/zinc/17/87/85/395178785.db2.gz CQGMXTXTJZTGET-BPQIPLTHSA-N 2 1 288.435 2.402 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351517710 395225872 /nfs/dbraw/zinc/22/58/72/395225872.db2.gz KQZYUZSWGGMGLY-BPUTZDHNSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351517710 395225878 /nfs/dbraw/zinc/22/58/78/395225878.db2.gz KQZYUZSWGGMGLY-BPUTZDHNSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351517710 395225885 /nfs/dbraw/zinc/22/58/85/395225885.db2.gz KQZYUZSWGGMGLY-BPUTZDHNSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351517710 395225888 /nfs/dbraw/zinc/22/58/88/395225888.db2.gz KQZYUZSWGGMGLY-BPUTZDHNSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000438196678 395210483 /nfs/dbraw/zinc/21/04/83/395210483.db2.gz DKGQAXYGTWYTTG-HUUCEWRRSA-N 2 1 254.418 2.123 20 0 CEADMP COc1ccc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1O ZINC000420322126 395325785 /nfs/dbraw/zinc/32/57/85/395325785.db2.gz SBDIEGLFQWWCNG-ZDUSSCGKSA-N 2 1 278.396 2.222 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420287964 395296832 /nfs/dbraw/zinc/29/68/32/395296832.db2.gz GUHYTHHIUQJVNK-MRXNPFEDSA-N 2 1 297.402 2.441 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420287964 395296837 /nfs/dbraw/zinc/29/68/37/395296837.db2.gz GUHYTHHIUQJVNK-MRXNPFEDSA-N 2 1 297.402 2.441 20 0 CEADMP COc1ccc(OCC[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420323358 395326186 /nfs/dbraw/zinc/32/61/86/395326186.db2.gz SYTVVUHGBPRRIS-AWEZNQCLSA-N 2 1 278.396 2.005 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000420293704 395299527 /nfs/dbraw/zinc/29/95/27/395299527.db2.gz RQRVYVTXXHDHGC-UHFFFAOYSA-N 2 1 263.385 2.374 20 0 CEADMP C[C@@H]([N@@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1)C1(C)CC1 ZINC000420295023 395300280 /nfs/dbraw/zinc/30/02/80/395300280.db2.gz BUUGGBHSSMODHV-KBMXLJTQSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@@H]([N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1(C)CC1 ZINC000420295023 395300287 /nfs/dbraw/zinc/30/02/87/395300287.db2.gz BUUGGBHSSMODHV-KBMXLJTQSA-N 2 1 276.424 2.038 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000353570679 395301715 /nfs/dbraw/zinc/30/17/15/395301715.db2.gz FMWQVXGKELGKAP-GRYCIOLGSA-N 2 1 282.350 2.415 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000353570679 395301718 /nfs/dbraw/zinc/30/17/18/395301718.db2.gz FMWQVXGKELGKAP-GRYCIOLGSA-N 2 1 282.350 2.415 20 0 CEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000420295775 395302713 /nfs/dbraw/zinc/30/27/13/395302713.db2.gz CRXAWKNQQZVNOP-RHSMWYFYSA-N 2 1 258.409 2.475 20 0 CEADMP c1ccc([C@H]2COCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420301094 395305616 /nfs/dbraw/zinc/30/56/16/395305616.db2.gz LAOKZTNYUOCEQL-NVXWUHKLSA-N 2 1 274.408 2.450 20 0 CEADMP COc1ccccc1CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420300612 395306369 /nfs/dbraw/zinc/30/63/69/395306369.db2.gz CTKMRUOHCRSKMO-HRCADAONSA-N 2 1 274.408 2.297 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H](c2ccccc2)CO1 ZINC000420308092 395312185 /nfs/dbraw/zinc/31/21/85/395312185.db2.gz RZJRCTHOXDRAGJ-HLLBOEOZSA-N 2 1 274.408 2.448 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](C)C[C@H]2C)cc1 ZINC000420308918 395312734 /nfs/dbraw/zinc/31/27/34/395312734.db2.gz SOANGGMCRRACEA-GZBFAFLISA-N 2 1 262.397 2.468 20 0 CEADMP C[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420309068 395312779 /nfs/dbraw/zinc/31/27/79/395312779.db2.gz SWIFILJMOGWCPD-JHNDHUHGSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420309068 395312782 /nfs/dbraw/zinc/31/27/82/395312782.db2.gz SWIFILJMOGWCPD-JHNDHUHGSA-N 2 1 276.424 2.038 20 0 CEADMP Fc1ccccc1[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000420311497 395314997 /nfs/dbraw/zinc/31/49/97/395314997.db2.gz WBKRJNKFOXIEOG-CJNGLKHVSA-N 2 1 278.371 2.199 20 0 CEADMP Fc1ccccc1[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000420311497 395314999 /nfs/dbraw/zinc/31/49/99/395314999.db2.gz WBKRJNKFOXIEOG-CJNGLKHVSA-N 2 1 278.371 2.199 20 0 CEADMP COc1cccc(OCC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000420318466 395322181 /nfs/dbraw/zinc/32/21/81/395322181.db2.gz WGCYNRBYHJKOMD-CQSZACIVSA-N 2 1 278.396 2.148 20 0 CEADMP FC(F)(F)CCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000420318143 395322681 /nfs/dbraw/zinc/32/26/81/395322681.db2.gz PQAZGASIRVITPI-MNOVXSKESA-N 2 1 250.308 2.403 20 0 CEADMP FC(F)(F)CCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000420318143 395322685 /nfs/dbraw/zinc/32/26/85/395322685.db2.gz PQAZGASIRVITPI-MNOVXSKESA-N 2 1 250.308 2.403 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CO1 ZINC000401826773 395261956 /nfs/dbraw/zinc/26/19/56/395261956.db2.gz MGLYKWYITVYAOD-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401892937 395265099 /nfs/dbraw/zinc/26/50/99/395265099.db2.gz YVZFJNCXBWBFLK-CYBMUJFWSA-N 2 1 273.380 2.192 20 0 CEADMP CC[C@@H]1C[NH+](CCC[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439462858 395266955 /nfs/dbraw/zinc/26/69/55/395266955.db2.gz AMHHBMDOCDRMMH-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CC[C@@H]1C[N@H+](CCC[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439462858 395266958 /nfs/dbraw/zinc/26/69/58/395266958.db2.gz AMHHBMDOCDRMMH-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439462858 395266963 /nfs/dbraw/zinc/26/69/63/395266963.db2.gz AMHHBMDOCDRMMH-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP Cn1c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)nnc1-c1ccccc1 ZINC000420320807 395324156 /nfs/dbraw/zinc/32/41/56/395324156.db2.gz ZEBMJVJSISFXRQ-AWEZNQCLSA-N 2 1 299.422 2.043 20 0 CEADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000352905188 395275228 /nfs/dbraw/zinc/27/52/28/395275228.db2.gz TWCCBKCHIWTZTD-VNQPRFMTSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000352905188 395275234 /nfs/dbraw/zinc/27/52/34/395275234.db2.gz TWCCBKCHIWTZTD-VNQPRFMTSA-N 2 1 281.488 2.425 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC(C)(C)C2)CC1(C)C ZINC000442870175 395397577 /nfs/dbraw/zinc/39/75/77/395397577.db2.gz JPSIAVXVKGTHSV-AWEZNQCLSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H](F)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000440783794 395355827 /nfs/dbraw/zinc/35/58/27/395355827.db2.gz QKKLAFJWRSBCQN-OAHLLOKOSA-N 2 1 285.451 2.225 20 0 CEADMP CCCCN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420379968 395366396 /nfs/dbraw/zinc/36/63/96/395366396.db2.gz BXEPKUPLMKKCMW-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCN(CC)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420379968 395366398 /nfs/dbraw/zinc/36/63/98/395366398.db2.gz BXEPKUPLMKKCMW-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP c1cncc(CC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420402467 395370890 /nfs/dbraw/zinc/37/08/90/395370890.db2.gz QKXHJEMDIRUNRE-HZPDHXFCSA-N 2 1 259.397 2.088 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420407446 395372359 /nfs/dbraw/zinc/37/23/59/395372359.db2.gz VIMKYMBYBQPHJC-QWHCGFSZSA-N 2 1 294.361 2.419 20 0 CEADMP C[C@@H]1CC[N@@H+](CCO[C@@H]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000420404172 395372590 /nfs/dbraw/zinc/37/25/90/395372590.db2.gz LTLOZPIDCAMIQA-QKPAOTATSA-N 2 1 268.445 2.498 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)s1 ZINC000420405847 395372666 /nfs/dbraw/zinc/37/26/66/395372666.db2.gz MZOAURSWXNJJIP-ZWNOBZJWSA-N 2 1 296.436 2.260 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)s1 ZINC000420405847 395372672 /nfs/dbraw/zinc/37/26/72/395372672.db2.gz MZOAURSWXNJJIP-ZWNOBZJWSA-N 2 1 296.436 2.260 20 0 CEADMP C[N@@H+](CCOCCOc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435623136 395378714 /nfs/dbraw/zinc/37/87/14/395378714.db2.gz GGFOKGNUTBQIPU-INIZCTEOSA-N 2 1 292.423 2.156 20 0 CEADMP C[C@H]1COCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000192681699 395389880 /nfs/dbraw/zinc/38/98/80/395389880.db2.gz JCBFAFRMRCAGAG-JKSUJKDBSA-N 2 1 296.455 2.036 20 0 CEADMP CCCCOCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326712 395329491 /nfs/dbraw/zinc/32/94/91/395329491.db2.gz KMPLMXYOFNLBKJ-CABCVRRESA-N 2 1 254.418 2.125 20 0 CEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cnn(-c2ccccc2)c1 ZINC000420328540 395331387 /nfs/dbraw/zinc/33/13/87/395331387.db2.gz ZWMIJQQYXVKPKP-OAHLLOKOSA-N 2 1 284.407 2.304 20 0 CEADMP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338853 395334185 /nfs/dbraw/zinc/33/41/85/395334185.db2.gz YDNUUPBIUVXANI-SOUVJXGZSA-N 2 1 282.428 2.040 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C1CC([NH3+])C1 ZINC000420343586 395337774 /nfs/dbraw/zinc/33/77/74/395337774.db2.gz WRPOTNPKUQPXCA-UHFFFAOYSA-N 2 1 281.787 2.090 20 0 CEADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349164 395339588 /nfs/dbraw/zinc/33/95/88/395339588.db2.gz BZGPHIQHVLPFMM-CABZTGNLSA-N 2 1 276.302 2.018 20 0 CEADMP c1nn([C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)c2ccccc12 ZINC000420359296 395346231 /nfs/dbraw/zinc/34/62/31/395346231.db2.gz KGYUTGYGDLPVQB-GOEBONIOSA-N 2 1 284.407 2.283 20 0 CEADMP CC(=O)c1ccc2c(c1)CC[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420363216 395349814 /nfs/dbraw/zinc/34/98/14/395349814.db2.gz BKNPIDIMIZPKIM-OAHLLOKOSA-N 2 1 286.419 2.289 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)NCc1cc(C)nc(C)c1 ZINC000420797477 395417632 /nfs/dbraw/zinc/41/76/32/395417632.db2.gz AEGICJFFEOMDRW-UHFFFAOYSA-N 2 1 292.427 2.230 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCO[C@H]2CCCCO2)CC1 ZINC000444601605 395439691 /nfs/dbraw/zinc/43/96/91/395439691.db2.gz FGJLMHXMXKUROP-INIZCTEOSA-N 2 1 284.444 2.334 20 0 CEADMP CCC[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(C)cc1 ZINC000566246260 395507694 /nfs/dbraw/zinc/50/76/94/395507694.db2.gz VUZUXYMZEKSXNW-UHFFFAOYSA-N 2 1 275.440 2.112 20 0 CEADMP C[C@H](C[NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000566294046 395510265 /nfs/dbraw/zinc/51/02/65/395510265.db2.gz PMUBDXSQZXIKIT-CABCVRRESA-N 2 1 295.471 2.084 20 0 CEADMP COCC[C@H]1CCCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000566417163 395520876 /nfs/dbraw/zinc/52/08/76/395520876.db2.gz SWJBZOJTCXSNNO-OAHLLOKOSA-N 2 1 279.428 2.491 20 0 CEADMP COCC[C@H]1CCCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000566417163 395520878 /nfs/dbraw/zinc/52/08/78/395520878.db2.gz SWJBZOJTCXSNNO-OAHLLOKOSA-N 2 1 279.428 2.491 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC000566474011 395529062 /nfs/dbraw/zinc/52/90/62/395529062.db2.gz CURQVLHVUQYCGP-CQSZACIVSA-N 2 1 268.445 2.392 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC[NH+](C2CC2)CC1 ZINC000446887487 395501385 /nfs/dbraw/zinc/50/13/85/395501385.db2.gz ULOPPJUYSOHRGA-WBVHZDCISA-N 3 1 277.456 2.077 20 0 CEADMP COC(=O)[C@@H](CC(C)C)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000451261003 395600116 /nfs/dbraw/zinc/60/01/16/395600116.db2.gz DSOUNQRFKCPCNJ-OAHLLOKOSA-N 2 1 295.427 2.491 20 0 CEADMP COC(=O)[C@@H](CC(C)C)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000451261003 395600118 /nfs/dbraw/zinc/60/01/18/395600118.db2.gz DSOUNQRFKCPCNJ-OAHLLOKOSA-N 2 1 295.427 2.491 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000573439490 395609113 /nfs/dbraw/zinc/60/91/13/395609113.db2.gz SVLFUNOUFVBRQY-ROUUACIJSA-N 2 1 288.435 2.225 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000573439490 395609116 /nfs/dbraw/zinc/60/91/16/395609116.db2.gz SVLFUNOUFVBRQY-ROUUACIJSA-N 2 1 288.435 2.225 20 0 CEADMP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000449560249 395555040 /nfs/dbraw/zinc/55/50/40/395555040.db2.gz IJKUCILEGSZVFD-ONWWLPHZSA-N 2 1 266.429 2.261 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1O ZINC000568377584 395556455 /nfs/dbraw/zinc/55/64/55/395556455.db2.gz HGYPYERLZJFGJU-QWHCGFSZSA-N 2 1 278.396 2.393 20 0 CEADMP Cc1ccc2[nH]c(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)nc2c1 ZINC000568748518 395569623 /nfs/dbraw/zinc/56/96/23/395569623.db2.gz BOQGWYOTIUMTEQ-STQMWFEESA-N 2 1 272.396 2.349 20 0 CEADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000574005641 395623947 /nfs/dbraw/zinc/62/39/47/395623947.db2.gz WPVWWRVMMDBAJY-HZSPNIEDSA-N 2 1 299.422 2.317 20 0 CEADMP O[C@@H]1CC[C@H]2C[N@H+](CCC[NH+]3CCCCC3)CC[C@H]2C1 ZINC000451705796 395624485 /nfs/dbraw/zinc/62/44/85/395624485.db2.gz ZIIYAEAMLYAWLP-YESZJQIVSA-N 2 1 280.456 2.345 20 0 CEADMP O[C@@H]1CC[C@H]2C[N@@H+](CCC[NH+]3CCCCC3)CC[C@H]2C1 ZINC000451705796 395624486 /nfs/dbraw/zinc/62/44/86/395624486.db2.gz ZIIYAEAMLYAWLP-YESZJQIVSA-N 2 1 280.456 2.345 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000574925295 395641675 /nfs/dbraw/zinc/64/16/75/395641675.db2.gz WPKASXGFYJSUAH-SJORKVTESA-N 2 1 294.414 2.145 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000574925295 395641677 /nfs/dbraw/zinc/64/16/77/395641677.db2.gz WPKASXGFYJSUAH-SJORKVTESA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000574925295 395641679 /nfs/dbraw/zinc/64/16/79/395641679.db2.gz WPKASXGFYJSUAH-SJORKVTESA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000574925295 395641680 /nfs/dbraw/zinc/64/16/80/395641680.db2.gz WPKASXGFYJSUAH-SJORKVTESA-N 2 1 294.414 2.145 20 0 CEADMP C[N@H+]1CCN(CC[NH+]2CCCCC2)CC12CCCCC2 ZINC000575327463 395659428 /nfs/dbraw/zinc/65/94/28/395659428.db2.gz WZTFWERAUGYEQW-UHFFFAOYSA-N 2 1 279.472 2.423 20 0 CEADMP COCC(C)(C)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000494086435 395679189 /nfs/dbraw/zinc/67/91/89/395679189.db2.gz BXPMAWURRURECX-CQSZACIVSA-N 2 1 256.434 2.369 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCOC2(C)C)[C@H](c2ccccc2)C1 ZINC000647344127 395707261 /nfs/dbraw/zinc/70/72/61/395707261.db2.gz JWFKNBXHIWDRAL-IXDOHACOSA-N 2 1 288.435 2.489 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc3c2NCC3)CC[C@H]1[NH3+] ZINC000647498337 395722107 /nfs/dbraw/zinc/72/21/07/395722107.db2.gz FNSWQSFQYOHFLD-SWLSCSKDSA-N 2 1 259.397 2.214 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)CC[C@@H]1[NH3+] ZINC000647498321 395722434 /nfs/dbraw/zinc/72/24/34/395722434.db2.gz FDXLNSNJUYNYMJ-OCCSQVGLSA-N 2 1 276.380 2.017 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)CC[C@@H]1[NH3+] ZINC000647498321 395722436 /nfs/dbraw/zinc/72/24/36/395722436.db2.gz FDXLNSNJUYNYMJ-OCCSQVGLSA-N 2 1 276.380 2.017 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647542698 395730863 /nfs/dbraw/zinc/73/08/63/395730863.db2.gz ACUHYQOICROOCH-GJZGRUSLSA-N 2 1 289.423 2.307 20 0 CEADMP CCn1nccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543475 395731306 /nfs/dbraw/zinc/73/13/06/395731306.db2.gz OFEUHLYMOZTXII-HUUCEWRRSA-N 2 1 276.428 2.115 20 0 CEADMP c1ncc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647544143 395731343 /nfs/dbraw/zinc/73/13/43/395731343.db2.gz XILAFMJLGYZKKT-QWHCGFSZSA-N 2 1 265.426 2.355 20 0 CEADMP CCn1ccnc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543531 395731558 /nfs/dbraw/zinc/73/15/58/395731558.db2.gz OVOGCBBYUVZXLG-HUUCEWRRSA-N 2 1 276.428 2.115 20 0 CEADMP c1cncc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647544129 395731586 /nfs/dbraw/zinc/73/15/86/395731586.db2.gz XDNLSVTXFRJXLM-CVEARBPZSA-N 2 1 259.397 2.293 20 0 CEADMP c1nc2ccccn2c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545679 395731777 /nfs/dbraw/zinc/73/17/77/395731777.db2.gz CWEQMHNSAXYYIY-HUUCEWRRSA-N 2 1 284.407 2.156 20 0 CEADMP Cc1[nH]c2nc[nH+]c(NCCC[NH2+]C(C)C)c2c1C ZINC000647705131 395747078 /nfs/dbraw/zinc/74/70/78/395747078.db2.gz ZMWFJMGKZXUJJW-UHFFFAOYSA-N 2 1 261.373 2.375 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647786506 395754233 /nfs/dbraw/zinc/75/42/33/395754233.db2.gz QXVOKFATPOAXAX-BPKGMFCQSA-N 3 1 279.472 2.085 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647786506 395754235 /nfs/dbraw/zinc/75/42/35/395754235.db2.gz QXVOKFATPOAXAX-BPKGMFCQSA-N 3 1 279.472 2.085 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647789525 395754905 /nfs/dbraw/zinc/75/49/05/395754905.db2.gz GXFNTCGMBHBQBA-YPLQCARHSA-N 3 1 293.499 2.331 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647789525 395754906 /nfs/dbraw/zinc/75/49/06/395754906.db2.gz GXFNTCGMBHBQBA-YPLQCARHSA-N 3 1 293.499 2.331 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCC[C@@H]2CC)CC[C@@H]1[NH3+] ZINC000647940303 395781002 /nfs/dbraw/zinc/78/10/02/395781002.db2.gz SNORTXGQKMFVTB-WCVJEAGWSA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCC[C@@H]2CC)CC[C@@H]1[NH3+] ZINC000647940303 395781003 /nfs/dbraw/zinc/78/10/03/395781003.db2.gz SNORTXGQKMFVTB-WCVJEAGWSA-N 2 1 295.471 2.225 20 0 CEADMP c1cc2c(cc1[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1)OCCO2 ZINC000647872824 395766682 /nfs/dbraw/zinc/76/66/82/395766682.db2.gz ZPCXZKPJIWFOBG-UKRRQHHQSA-N 2 1 288.391 2.204 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCCN2c2[nH+]ccc3[nH]ccc32)C1 ZINC000647872835 395766724 /nfs/dbraw/zinc/76/67/24/395766724.db2.gz JJONMLMCXDYMEQ-DOMZBBRYSA-N 2 1 270.380 2.483 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2[nH+]ccc3[nH]ccc32)C1 ZINC000647872837 395766897 /nfs/dbraw/zinc/76/68/97/395766897.db2.gz JJONMLMCXDYMEQ-SWLSCSKDSA-N 2 1 270.380 2.483 20 0 CEADMP CC[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000647882105 395768255 /nfs/dbraw/zinc/76/82/55/395768255.db2.gz KUTVZZCFPJGHFL-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP COc1ccc([C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647883322 395768629 /nfs/dbraw/zinc/76/86/29/395768629.db2.gz DGOPENSUPZIRCY-ZFWWWQNUSA-N 2 1 260.381 2.094 20 0 CEADMP COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647882924 395768924 /nfs/dbraw/zinc/76/89/24/395768924.db2.gz PIBYUKOCCIPOHB-HOCLYGCPSA-N 2 1 274.408 2.312 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000647888114 395769513 /nfs/dbraw/zinc/76/95/13/395769513.db2.gz NGIFCQLSTNTULV-LXTVHRRPSA-N 2 1 266.429 2.121 20 0 CEADMP c1ccc(CCCO[C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647890811 395769905 /nfs/dbraw/zinc/76/99/05/395769905.db2.gz XXSLMVFOAMGIJQ-ROUUACIJSA-N 2 1 288.435 2.320 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccnn2CC(C)C)C1 ZINC000648011058 395804106 /nfs/dbraw/zinc/80/41/06/395804106.db2.gz BTZVHVIJZHBZAK-OAHLLOKOSA-N 2 1 278.444 2.313 20 0 CEADMP C(c1nc(C2CC2)no1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976807 395793425 /nfs/dbraw/zinc/79/34/25/395793425.db2.gz UNYFMPXVKWETGJ-KBPBESRZSA-N 2 1 290.411 2.159 20 0 CEADMP C(c1nc(C2CC2)no1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976807 395793428 /nfs/dbraw/zinc/79/34/28/395793428.db2.gz UNYFMPXVKWETGJ-KBPBESRZSA-N 2 1 290.411 2.159 20 0 CEADMP CC(C)COCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977379 395793586 /nfs/dbraw/zinc/79/35/86/395793586.db2.gz AKEJZBYXMGRPLO-HOTGVXAUSA-N 2 1 268.445 2.371 20 0 CEADMP FC(F)(F)COCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978354 395794236 /nfs/dbraw/zinc/79/42/36/395794236.db2.gz QHJFHKMAJFCPNP-CHWSQXEVSA-N 2 1 294.361 2.277 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)OCC1CC1 ZINC000647978503 395794526 /nfs/dbraw/zinc/79/45/26/395794526.db2.gz SWGXQAIPDNIMDF-JKSUJKDBSA-N 2 1 266.429 2.125 20 0 CEADMP COCC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978858 395794558 /nfs/dbraw/zinc/79/45/58/395794558.db2.gz ZLEMCBKWWSIVAJ-SOUVJXGZSA-N 2 1 254.418 2.123 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000647987767 395796600 /nfs/dbraw/zinc/79/66/00/395796600.db2.gz YEXWVFODCNSCSD-SJORKVTESA-N 3 1 279.472 2.230 20 0 CEADMP CC(C)[N@@H+](CCc1nccs1)C[C@@H]1CC[NH2+]C1 ZINC000647989655 395796795 /nfs/dbraw/zinc/79/67/95/395796795.db2.gz SLZPBZYQQYHFGH-GFCCVEGCSA-N 2 1 253.415 2.006 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1cc(F)cc(F)c1 ZINC000648385168 395898956 /nfs/dbraw/zinc/89/89/56/395898956.db2.gz BSPAYKMYSXDUGI-WCFLWFBJSA-N 2 1 266.335 2.220 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1cc(F)cc(F)c1 ZINC000648385168 395898958 /nfs/dbraw/zinc/89/89/58/395898958.db2.gz BSPAYKMYSXDUGI-WCFLWFBJSA-N 2 1 266.335 2.220 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000648845122 395998617 /nfs/dbraw/zinc/99/86/17/395998617.db2.gz APPBZOIPEFKYRY-GOEBONIOSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649307271 396117599 /nfs/dbraw/zinc/11/75/99/396117599.db2.gz CYRMNBBGBVBRMX-ZDUSSCGKSA-N 2 1 283.460 2.131 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000649418033 396149038 /nfs/dbraw/zinc/14/90/38/396149038.db2.gz VXRRPLNPJULRKH-DLBZAZTESA-N 2 1 290.455 2.212 20 0 CEADMP Cc1cnc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000649418282 396149358 /nfs/dbraw/zinc/14/93/58/396149358.db2.gz VTEBZEDFHRVBSV-KGLIPLIRSA-N 2 1 263.385 2.195 20 0 CEADMP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)[C@@H](CC)CO1 ZINC000649718697 396239332 /nfs/dbraw/zinc/23/93/32/396239332.db2.gz DYDAHYYKWSXJIJ-RRFJBIMHSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)[C@@H](CC)CO1 ZINC000649718697 396239333 /nfs/dbraw/zinc/23/93/33/396239333.db2.gz DYDAHYYKWSXJIJ-RRFJBIMHSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)[C@@H](CC)CO1 ZINC000649718697 396239335 /nfs/dbraw/zinc/23/93/35/396239335.db2.gz DYDAHYYKWSXJIJ-RRFJBIMHSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)[C@@H](CC)CO1 ZINC000649718697 396239338 /nfs/dbraw/zinc/23/93/38/396239338.db2.gz DYDAHYYKWSXJIJ-RRFJBIMHSA-N 2 1 254.418 2.360 20 0 CEADMP Cc1ccc(CC[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646106013 396294048 /nfs/dbraw/zinc/29/40/48/396294048.db2.gz BXWPOYZJBUETGR-UHFFFAOYSA-N 2 1 288.435 2.334 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CO1 ZINC000647171261 396427547 /nfs/dbraw/zinc/42/75/47/396427547.db2.gz DMRGPVNGBAHUDT-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]CCCCN2CC[NH+](C)CC2)o1 ZINC000154434390 289145190 /nfs/dbraw/zinc/14/51/90/289145190.db2.gz KXVKLDGGCTYALS-OAHLLOKOSA-N 2 1 279.428 2.266 20 0 CEADMP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916124 400122041 /nfs/dbraw/zinc/12/20/41/400122041.db2.gz OHVFAAQIRIRTBF-HOCLYGCPSA-N 2 1 276.428 2.001 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916124 400122047 /nfs/dbraw/zinc/12/20/47/400122047.db2.gz OHVFAAQIRIRTBF-HOCLYGCPSA-N 2 1 276.428 2.001 20 0 CEADMP CC(C)C[C@@H]([NH3+])C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000037901334 400122179 /nfs/dbraw/zinc/12/21/79/400122179.db2.gz OODYVZQBQMGARE-OAHLLOKOSA-N 2 1 283.460 2.131 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000344318068 400367835 /nfs/dbraw/zinc/36/78/35/400367835.db2.gz IZSCVVPWIBRLOL-GASCZTMLSA-N 2 1 295.471 2.240 20 0 CEADMP CCN(CCn1cc[nH+]c1C)CC[NH+]1CCCCCC1 ZINC000347283478 400370505 /nfs/dbraw/zinc/37/05/05/400370505.db2.gz BXWFRJJBFGCXGN-UHFFFAOYSA-N 2 1 278.444 2.389 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705515 400997902 /nfs/dbraw/zinc/99/79/02/400997902.db2.gz KBOMUZGFAPDSFB-OFQRWUPVSA-N 2 1 293.411 2.010 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc3c1OCCO3)C2 ZINC000650708865 400999867 /nfs/dbraw/zinc/99/98/67/400999867.db2.gz RGKMTSMJRYXYGB-YOEHRIQHSA-N 2 1 288.391 2.019 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1c(Cl)cnn1C ZINC000650720138 401010332 /nfs/dbraw/zinc/01/03/32/401010332.db2.gz GEFMGIVBRHCRMH-UHFFFAOYSA-N 2 1 278.787 2.083 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000650740583 401016556 /nfs/dbraw/zinc/01/65/56/401016556.db2.gz MZMRXRYDCUKBCO-LSDHHAIUSA-N 2 1 255.450 2.085 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000650755345 401032689 /nfs/dbraw/zinc/03/26/89/401032689.db2.gz CISZFQRSASEYSB-ZDUSSCGKSA-N 2 1 272.396 2.299 20 0 CEADMP N[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)c2ccccc21 ZINC000650762179 401038060 /nfs/dbraw/zinc/03/80/60/401038060.db2.gz VZSZZMAFTPSGFF-HZPDHXFCSA-N 2 1 259.397 2.111 20 0 CEADMP CCN(C)c1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cn1 ZINC000359978133 155184905 /nfs/dbraw/zinc/18/49/05/155184905.db2.gz WDTXFBIJQZTOIQ-UHFFFAOYSA-N 2 1 278.444 2.358 20 0 CEADMP CCN(C)c1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cn1 ZINC000359978133 155184910 /nfs/dbraw/zinc/18/49/10/155184910.db2.gz WDTXFBIJQZTOIQ-UHFFFAOYSA-N 2 1 278.444 2.358 20 0 CEADMP C[C@H](C1CC[NH+](C)CC1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000651466789 401345041 /nfs/dbraw/zinc/34/50/41/401345041.db2.gz RZZAWLSCTUTRMT-GDBMZVCRSA-N 2 1 266.429 2.219 20 0 CEADMP CCc1cccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000651953035 401422997 /nfs/dbraw/zinc/42/29/97/401422997.db2.gz NVVTUQVZNHTZGL-UHFFFAOYSA-N 2 1 289.467 2.366 20 0 CEADMP C[C@H]1CCC[N@H+](CC(=O)NCC2CCCCC2)[C@@H]1CC[NH3+] ZINC000652353612 401492444 /nfs/dbraw/zinc/49/24/44/401492444.db2.gz UZLCYYJDCFDLJB-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]1CCC[N@@H+](CC(=O)NCC2CCCCC2)[C@@H]1CC[NH3+] ZINC000652353612 401492445 /nfs/dbraw/zinc/49/24/45/401492445.db2.gz UZLCYYJDCFDLJB-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000652364486 401494788 /nfs/dbraw/zinc/49/47/88/401494788.db2.gz SZZNPHZVFCVAOF-UKRRQHHQSA-N 2 1 296.361 2.469 20 0 CEADMP CC(C)OCCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363002 401494905 /nfs/dbraw/zinc/49/49/05/401494905.db2.gz VHYUOVBATONJEA-BZUAXINKSA-N 2 1 284.444 2.162 20 0 CEADMP Nc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652363613 401494920 /nfs/dbraw/zinc/49/49/20/401494920.db2.gz JEJUVJRRURXNTR-BBWFWOEESA-N 2 1 289.423 2.130 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363505 401495355 /nfs/dbraw/zinc/49/53/55/401495355.db2.gz GPFJQUIOSOQRCF-BBWFWOEESA-N 3 1 297.487 2.079 20 0 CEADMP CC[NH+](CC)CCCN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363505 401495359 /nfs/dbraw/zinc/49/53/59/401495359.db2.gz GPFJQUIOSOQRCF-BBWFWOEESA-N 2 1 297.487 2.079 20 0 CEADMP FC1(F)C[C@]12CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000652364408 401495373 /nfs/dbraw/zinc/49/53/73/401495373.db2.gz MWGJVOCKCKKKFW-ZDUSSCGKSA-N 2 1 258.356 2.497 20 0 CEADMP CC(C)(C[NH2+]Cc1cncc(F)c1)C[NH+]1CCCC1 ZINC000360154262 155230214 /nfs/dbraw/zinc/23/02/14/155230214.db2.gz QBSGNLNDVAQWRV-UHFFFAOYSA-N 2 1 265.376 2.432 20 0 CEADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000360240599 155252035 /nfs/dbraw/zinc/25/20/35/155252035.db2.gz GIWQKUSZSMIRJU-ISTRZQFTSA-N 2 1 292.398 2.105 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnc(C)nc2C)C1 ZINC000360418009 155295119 /nfs/dbraw/zinc/29/51/19/155295119.db2.gz WJXSWMSJFJYHOT-RISCZKNCSA-N 2 1 262.401 2.086 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnc(C)nc2C)C1 ZINC000360418009 155295120 /nfs/dbraw/zinc/29/51/20/155295120.db2.gz WJXSWMSJFJYHOT-RISCZKNCSA-N 2 1 262.401 2.086 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000360499724 155312478 /nfs/dbraw/zinc/31/24/78/155312478.db2.gz MWXULHCCSGIFNC-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ncccn2)CC1 ZINC000191952096 153196091 /nfs/dbraw/zinc/19/60/91/153196091.db2.gz JHNJMPJMZZMKAH-UHFFFAOYSA-N 2 1 276.428 2.421 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncccn2)CC1 ZINC000191952096 153196094 /nfs/dbraw/zinc/19/60/94/153196094.db2.gz JHNJMPJMZZMKAH-UHFFFAOYSA-N 2 1 276.428 2.421 20 0 CEADMP Cc1n[nH]cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192922570 153223319 /nfs/dbraw/zinc/22/33/19/153223319.db2.gz TUGAZXQHCXCVQG-MRXNPFEDSA-N 2 1 284.407 2.330 20 0 CEADMP Cc1n[nH]cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192922570 153223324 /nfs/dbraw/zinc/22/33/24/153223324.db2.gz TUGAZXQHCXCVQG-MRXNPFEDSA-N 2 1 284.407 2.330 20 0 CEADMP C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)O[C@@H]1CCCCO1 ZINC000193059138 153227973 /nfs/dbraw/zinc/22/79/73/153227973.db2.gz YKTMWTIVQBRJDD-IAGOWNOFSA-N 2 1 296.455 2.337 20 0 CEADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)O[C@@H]1CCCCO1 ZINC000193059138 153227978 /nfs/dbraw/zinc/22/79/78/153227978.db2.gz YKTMWTIVQBRJDD-IAGOWNOFSA-N 2 1 296.455 2.337 20 0 CEADMP Cc1ccc(C[C@@H](CO)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000193335687 153231354 /nfs/dbraw/zinc/23/13/54/153231354.db2.gz ZUWSIVMXRFEBSM-XFYFCPPXSA-N 2 1 288.435 2.113 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)OC)[C@H](C)C1 ZINC000360835667 155384581 /nfs/dbraw/zinc/38/45/81/155384581.db2.gz LDGVJMUNUKXJHK-PMPSAXMXSA-N 2 1 286.460 2.138 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000346843902 286367146 /nfs/dbraw/zinc/36/71/46/286367146.db2.gz XZWKRDUYAOAVIP-NQZOLGFYSA-N 2 1 274.408 2.468 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000237536622 153470879 /nfs/dbraw/zinc/47/08/79/153470879.db2.gz LUWVIRRQDPYNGI-WBVHZDCISA-N 2 1 295.471 2.004 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000261930485 153881954 /nfs/dbraw/zinc/88/19/54/153881954.db2.gz LLUGEZXMBDZSEG-GFCCVEGCSA-N 2 1 290.436 2.190 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CCCO1 ZINC000313338325 154209012 /nfs/dbraw/zinc/20/90/12/154209012.db2.gz BGMAMXCBAVAJAA-MRXNPFEDSA-N 2 1 270.376 2.389 20 0 CEADMP COCCCOc1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000347086911 154301407 /nfs/dbraw/zinc/30/14/07/154301407.db2.gz CYOJRNOOTPSIFA-MRXNPFEDSA-N 2 1 292.423 2.273 20 0 CEADMP CCC[N@H+](CC)CCNCc1ncc(C[NH+](C)C)s1 ZINC000352769436 154329790 /nfs/dbraw/zinc/32/97/90/154329790.db2.gz NDAXSFBZCWVMOB-UHFFFAOYSA-N 2 1 284.473 2.026 20 0 CEADMP CCC[N@@H+](CC)CCNCc1ncc(C[NH+](C)C)s1 ZINC000352769436 154329794 /nfs/dbraw/zinc/32/97/94/154329794.db2.gz NDAXSFBZCWVMOB-UHFFFAOYSA-N 2 1 284.473 2.026 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC000356981910 154365693 /nfs/dbraw/zinc/36/56/93/154365693.db2.gz KYBINOPHJDKBPV-CABCVRRESA-N 2 1 295.427 2.477 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC000356981910 154365697 /nfs/dbraw/zinc/36/56/97/154365697.db2.gz KYBINOPHJDKBPV-CABCVRRESA-N 2 1 295.427 2.477 20 0 CEADMP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000359412442 155007367 /nfs/dbraw/zinc/00/73/67/155007367.db2.gz DYMPJZGOGCUBCR-CABCVRRESA-N 2 1 292.423 2.032 20 0 CEADMP COc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000359610392 155079872 /nfs/dbraw/zinc/07/98/72/155079872.db2.gz ZTTKZJLENFMVKJ-DZGCQCFKSA-N 2 1 262.397 2.168 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000359622117 155081751 /nfs/dbraw/zinc/08/17/51/155081751.db2.gz WWESVZIAVKVXTP-LSDHHAIUSA-N 2 1 286.423 2.356 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000363969106 156055246 /nfs/dbraw/zinc/05/52/46/156055246.db2.gz XVZUBGMALOILQA-UHFFFAOYSA-N 2 1 296.378 2.157 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367600105 156215190 /nfs/dbraw/zinc/21/51/90/156215190.db2.gz YIKSRAKOSVFOSZ-BXUZGUMPSA-N 2 1 273.384 2.218 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367597976 156215536 /nfs/dbraw/zinc/21/55/36/156215536.db2.gz CUOHOBCDGXZVCM-GXTWGEPZSA-N 2 1 262.401 2.109 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367597976 156215537 /nfs/dbraw/zinc/21/55/37/156215537.db2.gz CUOHOBCDGXZVCM-GXTWGEPZSA-N 2 1 262.401 2.109 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000367614848 156219335 /nfs/dbraw/zinc/21/93/35/156219335.db2.gz JEBPQVQCLNGCEA-HNNXBMFYSA-N 2 1 276.428 2.499 20 0 CEADMP C[C@@H]([NH2+]Cc1cncn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368056857 156276167 /nfs/dbraw/zinc/27/61/67/156276167.db2.gz AMAOOCKPOQEIOP-WBVHZDCISA-N 2 1 298.434 2.420 20 0 CEADMP C[C@@H]([NH2+]Cc1cncn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368056857 156276170 /nfs/dbraw/zinc/27/61/70/156276170.db2.gz AMAOOCKPOQEIOP-WBVHZDCISA-N 2 1 298.434 2.420 20 0 CEADMP C[C@H]([NH2+]Cc1cncn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368056854 156276552 /nfs/dbraw/zinc/27/65/52/156276552.db2.gz AMAOOCKPOQEIOP-DOTOQJQBSA-N 2 1 298.434 2.420 20 0 CEADMP C[C@H]([NH2+]Cc1cncn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368056854 156276555 /nfs/dbraw/zinc/27/65/55/156276555.db2.gz AMAOOCKPOQEIOP-DOTOQJQBSA-N 2 1 298.434 2.420 20 0 CEADMP Cc1cn[nH]c1C[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000368094244 156284058 /nfs/dbraw/zinc/28/40/58/156284058.db2.gz WZSJJOVFPZREQQ-UHFFFAOYSA-N 2 1 285.395 2.180 20 0 CEADMP Cc1[nH+]c(CNc2cc[nH+]c(C)c2)c2n1CCCC2 ZINC000368421979 156341922 /nfs/dbraw/zinc/34/19/22/156341922.db2.gz JFLVTRBRACWLDB-UHFFFAOYSA-N 2 1 256.353 2.265 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]C/C=C/Cl ZINC000368418298 156342162 /nfs/dbraw/zinc/34/21/62/156342162.db2.gz WQSVEKJKCLCHGL-CIPDKZQTSA-N 2 1 272.820 2.218 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@H]21 ZINC000375897094 157158067 /nfs/dbraw/zinc/15/80/67/157158067.db2.gz DCMPIXCVOQYACT-SOUVJXGZSA-N 2 1 288.391 2.378 20 0 CEADMP c1n[nH]cc1C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000375987093 157169132 /nfs/dbraw/zinc/16/91/32/157169132.db2.gz SNQODJHKFMENGI-UHFFFAOYSA-N 2 1 276.428 2.465 20 0 CEADMP Cc1[nH+]ccn1CCCN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000376537713 157240555 /nfs/dbraw/zinc/24/05/55/157240555.db2.gz YSLQUUZLQKKIKX-GDBMZVCRSA-N 2 1 276.428 2.140 20 0 CEADMP C[C@@H](CNC(=O)CCC1CC[NH2+]CC1)[N@H+]1CCC[C@H](C)C1 ZINC000155916472 162307697 /nfs/dbraw/zinc/30/76/97/162307697.db2.gz WXQDQCVLTHVGRY-GJZGRUSLSA-N 2 1 295.471 2.003 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000167674911 162361321 /nfs/dbraw/zinc/36/13/21/162361321.db2.gz LCFAVNXCPNIRFH-LLVKDONJSA-N 2 1 298.228 2.405 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000167674911 162361324 /nfs/dbraw/zinc/36/13/24/162361324.db2.gz LCFAVNXCPNIRFH-LLVKDONJSA-N 2 1 298.228 2.405 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000168642334 162369480 /nfs/dbraw/zinc/36/94/80/162369480.db2.gz FWQXQKKSDYVLPB-UONOGXRCSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1OCCc2sccc21 ZINC000292000149 287013429 /nfs/dbraw/zinc/01/34/29/287013429.db2.gz XOCLCRJOMMDDKH-ABAIWWIYSA-N 2 1 280.437 2.434 20 0 CEADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000178079765 165221038 /nfs/dbraw/zinc/22/10/38/165221038.db2.gz KBWFEHBXYQXDEI-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000178079765 165221040 /nfs/dbraw/zinc/22/10/40/165221040.db2.gz KBWFEHBXYQXDEI-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)n1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000178639039 165253508 /nfs/dbraw/zinc/25/35/08/165253508.db2.gz SFGKADYLERQYHW-GDBMZVCRSA-N 2 1 276.428 2.380 20 0 CEADMP CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)CC1CC[NH2+]CC1 ZINC000178975014 165267922 /nfs/dbraw/zinc/26/79/22/165267922.db2.gz HYVOOWAJQAVYKV-QGZVFWFLSA-N 2 1 276.424 2.350 20 0 CEADMP CCCO[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000178972619 165268657 /nfs/dbraw/zinc/26/86/57/165268657.db2.gz IPAYASIZDRRNTM-HNNXBMFYSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H]1[C@@H](C)CC[NH+]1CC1(C[N@@H+]2CC[C@H](C)[C@@H]2C)COC1 ZINC000182213682 165367117 /nfs/dbraw/zinc/36/71/17/165367117.db2.gz BTZXGWIHWKFMPU-YHUYYLMFSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1[C@@H](C)CC[N@H+]1CC1(C[NH+]2CC[C@H](C)[C@@H]2C)COC1 ZINC000182213682 165367120 /nfs/dbraw/zinc/36/71/20/165367120.db2.gz BTZXGWIHWKFMPU-YHUYYLMFSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1[C@@H](C)CC[N@@H+]1CC1(C[NH+]2CC[C@H](C)[C@@H]2C)COC1 ZINC000182213682 165367122 /nfs/dbraw/zinc/36/71/22/165367122.db2.gz BTZXGWIHWKFMPU-YHUYYLMFSA-N 2 1 280.456 2.464 20 0 CEADMP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(N)=O ZINC000183153771 165387559 /nfs/dbraw/zinc/38/75/59/165387559.db2.gz FWKLCXHRWSBXHK-XHDPSFHLSA-N 2 1 286.379 2.095 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000020248457 171102183 /nfs/dbraw/zinc/10/21/83/171102183.db2.gz KTOVUUVYLHNVES-CQSZACIVSA-N 2 1 255.365 2.406 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000248398637 287266645 /nfs/dbraw/zinc/26/66/45/287266645.db2.gz JARFWKPPUXFEAN-NVXWUHKLSA-N 2 1 295.471 2.289 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000035648367 172324502 /nfs/dbraw/zinc/32/45/02/172324502.db2.gz CRPDQNIMKQCHQN-CYBMUJFWSA-N 2 1 262.397 2.310 20 0 CEADMP C[N@H+](C[C@H](O)c1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285573846 196331589 /nfs/dbraw/zinc/33/15/89/196331589.db2.gz SSAGZCZIIFPBKB-CKQIIDDLSA-N 2 1 292.398 2.416 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285573846 196331591 /nfs/dbraw/zinc/33/15/91/196331591.db2.gz SSAGZCZIIFPBKB-CKQIIDDLSA-N 2 1 292.398 2.416 20 0 CEADMP C[NH+](C[C@H](O)c1ccccc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285573846 196331593 /nfs/dbraw/zinc/33/15/93/196331593.db2.gz SSAGZCZIIFPBKB-CKQIIDDLSA-N 2 1 292.398 2.416 20 0 CEADMP C[NH+](C[C@H](O)c1ccccc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285573846 196331594 /nfs/dbraw/zinc/33/15/94/196331594.db2.gz SSAGZCZIIFPBKB-CKQIIDDLSA-N 2 1 292.398 2.416 20 0 CEADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(C(N)=O)cc2)CC1 ZINC000037319129 173118983 /nfs/dbraw/zinc/11/89/83/173118983.db2.gz WMHRKEIXAGUZGY-UHFFFAOYSA-N 2 1 289.423 2.140 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000040468751 174277324 /nfs/dbraw/zinc/27/73/24/174277324.db2.gz KAJWMAYYHFFUOZ-OAHLLOKOSA-N 2 1 297.487 2.330 20 0 CEADMP C[N@@H+]1CCC[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000040671734 174369667 /nfs/dbraw/zinc/36/96/67/174369667.db2.gz KYRSYYSYZKTKFH-SFHVURJKSA-N 2 1 287.451 2.335 20 0 CEADMP C[N@H+]1CCC[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000040671734 174369669 /nfs/dbraw/zinc/36/96/69/174369669.db2.gz KYRSYYSYZKTKFH-SFHVURJKSA-N 2 1 287.451 2.335 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000040768414 174398819 /nfs/dbraw/zinc/39/88/19/174398819.db2.gz IYXDPXVPBORXIV-UHFFFAOYSA-N 2 1 270.380 2.261 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@H](CC)CO1 ZINC000403788018 414767736 /nfs/dbraw/zinc/76/77/36/414767736.db2.gz HTSIDPSVJPZVEV-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)O[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000404637966 414789213 /nfs/dbraw/zinc/78/92/13/414789213.db2.gz KIPZOZGSVNUGRX-HNNXBMFYSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]1CC1CCCC1)C1CC1 ZINC000653892614 414777815 /nfs/dbraw/zinc/77/78/15/414777815.db2.gz KWJLENYMJKQVBR-IRXDYDNUSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1CC1CCCC1)C1CC1 ZINC000653892614 414777821 /nfs/dbraw/zinc/77/78/21/414777821.db2.gz KWJLENYMJKQVBR-IRXDYDNUSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1CC1CCCC1)C1CC1 ZINC000653892614 414777824 /nfs/dbraw/zinc/77/78/24/414777824.db2.gz KWJLENYMJKQVBR-IRXDYDNUSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1CC1CCCC1)C1CC1 ZINC000653892614 414777826 /nfs/dbraw/zinc/77/78/26/414777826.db2.gz KWJLENYMJKQVBR-IRXDYDNUSA-N 2 1 280.456 2.486 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404353506 414780550 /nfs/dbraw/zinc/78/05/50/414780550.db2.gz KMAYBGOVZRJDEB-HZMBPMFUSA-N 2 1 251.374 2.241 20 0 CEADMP Cc1cc(C)cc(OCCC[N@@H+](C)CCC[NH3+])c1 ZINC000123290500 414794622 /nfs/dbraw/zinc/79/46/22/414794622.db2.gz VVVCZHMAOBCRGG-UHFFFAOYSA-N 2 1 250.386 2.353 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2C)C[C@H]1C[NH3+] ZINC000405292049 414794905 /nfs/dbraw/zinc/79/49/05/414794905.db2.gz ICMMZCJJUBHRHP-IAGOWNOFSA-N 2 1 276.424 2.407 20 0 CEADMP CO[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CCC1 ZINC000660540261 414864826 /nfs/dbraw/zinc/86/48/26/414864826.db2.gz AWHCOGJSSJRLKE-VFSICIBPSA-N 2 1 266.429 2.359 20 0 CEADMP CO[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCC1 ZINC000660540261 414864831 /nfs/dbraw/zinc/86/48/31/414864831.db2.gz AWHCOGJSSJRLKE-VFSICIBPSA-N 2 1 266.429 2.359 20 0 CEADMP CO[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCC1 ZINC000660540261 414864833 /nfs/dbraw/zinc/86/48/33/414864833.db2.gz AWHCOGJSSJRLKE-VFSICIBPSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[C@@H]1CN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH+]1C ZINC000660409424 414806290 /nfs/dbraw/zinc/80/62/90/414806290.db2.gz WVJCDRAFZSUVQJ-BBWFWOEESA-N 2 1 281.488 2.236 20 0 CEADMP C[C@H]1CC[C@H](C[NH+]2CCC([NH2+]CC3CC3)CC2)O1 ZINC000129403895 414811362 /nfs/dbraw/zinc/81/13/62/414811362.db2.gz PRLMCICDVCAULA-SWLSCSKDSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1CCCCC1 ZINC000310920986 414858974 /nfs/dbraw/zinc/85/89/74/414858974.db2.gz CLVDYPCDIPNWOY-ZFWWWQNUSA-N 2 1 256.434 2.246 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653113594 414910416 /nfs/dbraw/zinc/91/04/16/414910416.db2.gz HZJYROXHIRDIPX-HOTGVXAUSA-N 2 1 295.471 2.147 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CNCc2cnn3c2CCC3)C1 ZINC000657414089 414920459 /nfs/dbraw/zinc/92/04/59/414920459.db2.gz UPUIETXYGAQPEJ-OAHLLOKOSA-N 2 1 290.455 2.287 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657414089 414920464 /nfs/dbraw/zinc/92/04/64/414920464.db2.gz UPUIETXYGAQPEJ-OAHLLOKOSA-N 2 1 290.455 2.287 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657414089 414920467 /nfs/dbraw/zinc/92/04/67/414920467.db2.gz UPUIETXYGAQPEJ-OAHLLOKOSA-N 2 1 290.455 2.287 20 0 CEADMP Cc1ccncc1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659594 414920856 /nfs/dbraw/zinc/92/08/56/414920856.db2.gz OTWLCIQSXKCUFV-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ccncc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659594 414920861 /nfs/dbraw/zinc/92/08/61/414920861.db2.gz OTWLCIQSXKCUFV-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ccncc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659594 414920866 /nfs/dbraw/zinc/92/08/66/414920866.db2.gz OTWLCIQSXKCUFV-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ccncc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659594 414920871 /nfs/dbraw/zinc/92/08/71/414920871.db2.gz OTWLCIQSXKCUFV-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ccncc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659594 414920875 /nfs/dbraw/zinc/92/08/75/414920875.db2.gz OTWLCIQSXKCUFV-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP CCCOc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c(C)c1 ZINC000657414851 414922068 /nfs/dbraw/zinc/92/20/68/414922068.db2.gz DUNRPNYGTHPCJF-KRWDZBQOSA-N 2 1 294.439 2.186 20 0 CEADMP CCOC1CC(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000660661369 414924641 /nfs/dbraw/zinc/92/46/41/414924641.db2.gz CRYOTGDWQZODPZ-GPANFISMSA-N 2 1 266.429 2.219 20 0 CEADMP CCOC1CC(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000660661369 414924647 /nfs/dbraw/zinc/92/46/47/414924647.db2.gz CRYOTGDWQZODPZ-GPANFISMSA-N 2 1 266.429 2.219 20 0 CEADMP CCOC1CC(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000660661369 414924651 /nfs/dbraw/zinc/92/46/51/414924651.db2.gz CRYOTGDWQZODPZ-GPANFISMSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@H](O)CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678608 414932659 /nfs/dbraw/zinc/93/26/59/414932659.db2.gz WVOUOLAUYFRBFZ-AWEZNQCLSA-N 2 1 262.397 2.012 20 0 CEADMP c1cc2c(cc[nH+]c2N2CC[N@@H+]3CCCC[C@@H]3C2)[nH]1 ZINC000663384248 414936408 /nfs/dbraw/zinc/93/64/08/414936408.db2.gz FUAWUEMNIJFHNT-GFCCVEGCSA-N 2 1 256.353 2.237 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000653176443 414937792 /nfs/dbraw/zinc/93/77/92/414937792.db2.gz VGYSXKCQWFMVLO-HZPDHXFCSA-N 2 1 297.487 2.106 20 0 CEADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(OC)c1 ZINC000314692624 414870640 /nfs/dbraw/zinc/87/06/40/414870640.db2.gz CKSQQEUKLLVMKH-YOEHRIQHSA-N 2 1 290.407 2.265 20 0 CEADMP Cc1cc(CO)cc(NC[C@H](C)C[NH+]2CCCCC2)[nH+]1 ZINC000663402791 414942141 /nfs/dbraw/zinc/94/21/41/414942141.db2.gz FWWDZYRVCSGGBX-ZDUSSCGKSA-N 2 1 277.412 2.416 20 0 CEADMP CCN1CC[NH+](CCNc2cc[nH+]c3ccc(C)cc23)CC1 ZINC000663399152 414942592 /nfs/dbraw/zinc/94/25/92/414942592.db2.gz SLFIEXCMNYEORA-UHFFFAOYSA-N 2 1 298.434 2.015 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CO1 ZINC000657377993 414898262 /nfs/dbraw/zinc/89/82/62/414898262.db2.gz STPPJNRGEPCCQH-OEWLLCOZSA-N 2 1 252.402 2.159 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CO1 ZINC000657377993 414898267 /nfs/dbraw/zinc/89/82/67/414898267.db2.gz STPPJNRGEPCCQH-OEWLLCOZSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCOCc3ccccc3)C2)C1 ZINC000660617216 414899807 /nfs/dbraw/zinc/89/98/07/414899807.db2.gz UPCXGNJLSVLYKW-QGZVFWFLSA-N 2 1 274.408 2.231 20 0 CEADMP Cc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)c(-c2ccnn2C)c1 ZINC000663501885 414973861 /nfs/dbraw/zinc/97/38/61/414973861.db2.gz ZCDDFYGYHDYJBT-UHFFFAOYSA-N 2 1 296.418 2.237 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccn1 ZINC000657535279 414991062 /nfs/dbraw/zinc/99/10/62/414991062.db2.gz LIQCIBVQYIAVHK-QLFBSQMISA-N 2 1 259.397 2.402 20 0 CEADMP C([NH2+][C@@H]1CCSC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467490 414961954 /nfs/dbraw/zinc/96/19/54/414961954.db2.gz GABVKUALNKYHOT-UONOGXRCSA-N 2 1 254.443 2.204 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCCF ZINC000663465642 414962828 /nfs/dbraw/zinc/96/28/28/414962828.db2.gz ZDSUQGVUKIAULR-DOTOQJQBSA-N 2 1 294.414 2.473 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCCF ZINC000663465642 414962833 /nfs/dbraw/zinc/96/28/33/414962833.db2.gz ZDSUQGVUKIAULR-DOTOQJQBSA-N 2 1 294.414 2.473 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)[C@H](C)C1 ZINC000663472227 414965025 /nfs/dbraw/zinc/96/50/25/414965025.db2.gz ZVMXBJGONLLQID-NJAFHUGGSA-N 3 1 293.499 2.428 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)[C@H](C)C1 ZINC000663472227 414965029 /nfs/dbraw/zinc/96/50/29/414965029.db2.gz ZVMXBJGONLLQID-NJAFHUGGSA-N 2 1 293.499 2.428 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@H](C)C1 ZINC000663472227 414965034 /nfs/dbraw/zinc/96/50/34/414965034.db2.gz ZVMXBJGONLLQID-NJAFHUGGSA-N 2 1 293.499 2.428 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)[C@H](C)C1 ZINC000663472227 414965037 /nfs/dbraw/zinc/96/50/37/414965037.db2.gz ZVMXBJGONLLQID-NJAFHUGGSA-N 3 1 293.499 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)[C@H](C)C1 ZINC000663472227 414965041 /nfs/dbraw/zinc/96/50/41/414965041.db2.gz ZVMXBJGONLLQID-NJAFHUGGSA-N 3 1 293.499 2.428 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)[C@H](C)C1 ZINC000663472227 414965047 /nfs/dbraw/zinc/96/50/47/414965047.db2.gz ZVMXBJGONLLQID-NJAFHUGGSA-N 3 1 293.499 2.428 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@H](C)C1 ZINC000663472227 414965049 /nfs/dbraw/zinc/96/50/49/414965049.db2.gz ZVMXBJGONLLQID-NJAFHUGGSA-N 3 1 293.499 2.428 20 0 CEADMP OCC1CC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000657811167 415089925 /nfs/dbraw/zinc/08/99/25/415089925.db2.gz SDWJSSKZVDCZRD-UHFFFAOYSA-N 2 1 288.435 2.054 20 0 CEADMP CNC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000653542725 415030396 /nfs/dbraw/zinc/03/03/96/415030396.db2.gz ZTLHDGQMWKTLID-MRXNPFEDSA-N 2 1 295.471 2.101 20 0 CEADMP Cn1cc(CC[NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000657660868 415039772 /nfs/dbraw/zinc/03/97/72/415039772.db2.gz IOBLRJLCSFRHQM-UHFFFAOYSA-N 2 1 271.408 2.405 20 0 CEADMP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCCSCC3)CC[N@H+]2C1 ZINC000657839511 415101383 /nfs/dbraw/zinc/10/13/83/415101383.db2.gz ARKJQUVHJCKKFH-MGPQQGTHSA-N 2 1 254.443 2.489 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000653777832 415103922 /nfs/dbraw/zinc/10/39/22/415103922.db2.gz XNEQCHGFPYIEME-HRCADAONSA-N 2 1 282.472 2.447 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000653777832 415103927 /nfs/dbraw/zinc/10/39/27/415103927.db2.gz XNEQCHGFPYIEME-HRCADAONSA-N 2 1 282.472 2.447 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000653777832 415103931 /nfs/dbraw/zinc/10/39/31/415103931.db2.gz XNEQCHGFPYIEME-HRCADAONSA-N 2 1 282.472 2.447 20 0 CEADMP OC[C@H]1CCCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000653783263 415105976 /nfs/dbraw/zinc/10/59/76/415105976.db2.gz GWKQEBCDFFVPTM-OAHLLOKOSA-N 2 1 254.418 2.099 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC2CC(OC)C2)[C@H](C)C1 ZINC000658061985 415181374 /nfs/dbraw/zinc/18/13/74/415181374.db2.gz QHMBFIQZKHDKRQ-URGYJCLVSA-N 2 1 254.418 2.121 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000044527765 175192960 /nfs/dbraw/zinc/19/29/60/175192960.db2.gz OUWLQBMVKCZFRH-LBPRGKRZSA-N 2 1 270.323 2.459 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000044529568 175194291 /nfs/dbraw/zinc/19/42/91/175194291.db2.gz RECYMSGGLDUOHO-GFCCVEGCSA-N 2 1 268.788 2.390 20 0 CEADMP CC(C)CCOCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000045094128 175307074 /nfs/dbraw/zinc/30/70/74/175307074.db2.gz YLYNXBMQPGXADV-QLFBSQMISA-N 2 1 256.434 2.367 20 0 CEADMP C[C@@H]1C[N@@H+](CCNc2[nH+]ccc3[nH]ccc32)[C@@H](C)CO1 ZINC000664243410 415240110 /nfs/dbraw/zinc/24/01/10/415240110.db2.gz SJGGDGKSQJQFTJ-NWDGAFQWSA-N 2 1 274.368 2.084 20 0 CEADMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(Cl)cn1 ZINC000664247822 415243157 /nfs/dbraw/zinc/24/31/57/415243157.db2.gz JJELGJMNLASYPV-UHFFFAOYSA-N 2 1 270.808 2.030 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(Cl)cn1 ZINC000664247822 415243169 /nfs/dbraw/zinc/24/31/69/415243169.db2.gz JJELGJMNLASYPV-UHFFFAOYSA-N 2 1 270.808 2.030 20 0 CEADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000658123062 415222443 /nfs/dbraw/zinc/22/24/43/415222443.db2.gz IXNVKJQVJOKYJG-ZACQAIPSSA-N 2 1 273.424 2.395 20 0 CEADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C12CCC(CC1)C2 ZINC000655736366 415423224 /nfs/dbraw/zinc/42/32/24/415423224.db2.gz GAHFMLHSNCCUSY-ARWYELJZSA-N 2 1 278.440 2.410 20 0 CEADMP O[C@@]1(C2CC2)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000661629366 415370398 /nfs/dbraw/zinc/37/03/98/415370398.db2.gz YJVAIRFMPDEIHD-INIZCTEOSA-N 2 1 266.429 2.099 20 0 CEADMP Cn1cnc(CN2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000661651027 415382291 /nfs/dbraw/zinc/38/22/91/415382291.db2.gz YAOJCTZEZUFDTL-SFHVURJKSA-N 2 1 298.434 2.169 20 0 CEADMP COc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655683449 415384733 /nfs/dbraw/zinc/38/47/33/415384733.db2.gz RPVIJDBAZSPUCC-MRXNPFEDSA-N 2 1 290.407 2.038 20 0 CEADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(F)(F)F ZINC000655763358 415445203 /nfs/dbraw/zinc/44/52/03/415445203.db2.gz NZNIQFYYXANDIA-GFCCVEGCSA-N 2 1 294.361 2.418 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCCSC1 ZINC000655768621 415447488 /nfs/dbraw/zinc/44/74/88/415447488.db2.gz KMWUNBUGUPRQCT-GOEBONIOSA-N 2 1 298.496 2.363 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H](O)C(C)C ZINC000655776869 415458963 /nfs/dbraw/zinc/45/89/63/415458963.db2.gz PTLQMKKLLSEAND-IKGGRYGDSA-N 2 1 298.471 2.015 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCc2noc3ccccc32)C1 ZINC000655938265 415558065 /nfs/dbraw/zinc/55/80/65/415558065.db2.gz QKRAFUUEXHESKI-NEPJUHHUSA-N 2 1 259.353 2.039 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCc2noc3ccccc32)C1 ZINC000655938268 415559371 /nfs/dbraw/zinc/55/93/71/415559371.db2.gz QKRAFUUEXHESKI-VXGBXAGGSA-N 2 1 259.353 2.039 20 0 CEADMP CC[C@@H]1C[N@@H+](CCc2noc3ccccc32)CC[C@H]1[NH3+] ZINC000655939380 415560343 /nfs/dbraw/zinc/56/03/43/415560343.db2.gz OKVWXLSZBUUYBB-TZMCWYRMSA-N 2 1 273.380 2.430 20 0 CEADMP Fc1cc2c(cc1F)C[NH+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000655948349 415562615 /nfs/dbraw/zinc/56/26/15/415562615.db2.gz YLFAMFKHDZPSQF-JTQLQIEISA-N 2 1 252.308 2.280 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc2c(c1)OCCO2 ZINC000665248884 415647199 /nfs/dbraw/zinc/64/71/99/415647199.db2.gz FFJXKAFLWLVTKC-GFCCVEGCSA-N 2 1 276.380 2.380 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665266544 415658264 /nfs/dbraw/zinc/65/82/64/415658264.db2.gz DTPXMWBTZJOQFT-LZWOXQAQSA-N 2 1 265.445 2.110 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@H]1CC1CCC1)C1CC1 ZINC000662155947 415660305 /nfs/dbraw/zinc/66/03/05/415660305.db2.gz IXCFQDJVUDKEON-IRXDYDNUSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@H]1CC1CCC1)C1CC1 ZINC000662155947 415660309 /nfs/dbraw/zinc/66/03/09/415660309.db2.gz IXCFQDJVUDKEON-IRXDYDNUSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@H]1CC1CCC1)C1CC1 ZINC000662155947 415660312 /nfs/dbraw/zinc/66/03/12/415660312.db2.gz IXCFQDJVUDKEON-IRXDYDNUSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@H]1CC1CCC1)C1CC1 ZINC000662155947 415660314 /nfs/dbraw/zinc/66/03/14/415660314.db2.gz IXCFQDJVUDKEON-IRXDYDNUSA-N 2 1 280.456 2.486 20 0 CEADMP Cc1ccccc1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154724 415660468 /nfs/dbraw/zinc/66/04/68/415660468.db2.gz CAUKQJJPNNOMRN-KRWDZBQOSA-N 2 1 274.408 2.026 20 0 CEADMP Cc1ccccc1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154724 415660473 /nfs/dbraw/zinc/66/04/73/415660473.db2.gz CAUKQJJPNNOMRN-KRWDZBQOSA-N 2 1 274.408 2.026 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000665266816 415660533 /nfs/dbraw/zinc/66/05/33/415660533.db2.gz KGKGBIQVXPEJBY-KFWWJZLASA-N 2 1 265.445 2.253 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665267005 415661318 /nfs/dbraw/zinc/66/13/18/415661318.db2.gz NTFRYZUBVKKQRW-HLLBOEOZSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1c[nH+]ccc1N ZINC000665274385 415664289 /nfs/dbraw/zinc/66/42/89/415664289.db2.gz PAXBPQYKXTWXIU-KWQFWETISA-N 2 1 255.312 2.436 20 0 CEADMP CC1(C)C[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c2ccccc21 ZINC000665290511 415679730 /nfs/dbraw/zinc/67/97/30/415679730.db2.gz BUWBERBZKCMFPL-CQSZACIVSA-N 2 1 298.390 2.153 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH2+]C)C12CCCCC2 ZINC000665295848 415683223 /nfs/dbraw/zinc/68/32/23/415683223.db2.gz KKQGGPDDGGUDQC-MELADBBJSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299171 415685601 /nfs/dbraw/zinc/68/56/01/415685601.db2.gz HWXLKLUTDBHZNR-PVAVHDDUSA-N 2 1 279.472 2.086 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299171 415685605 /nfs/dbraw/zinc/68/56/05/415685605.db2.gz HWXLKLUTDBHZNR-PVAVHDDUSA-N 2 1 279.472 2.086 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299171 415685612 /nfs/dbraw/zinc/68/56/12/415685612.db2.gz HWXLKLUTDBHZNR-PVAVHDDUSA-N 2 1 279.472 2.086 20 0 CEADMP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1CCCCN1 ZINC000665299428 415687708 /nfs/dbraw/zinc/68/77/08/415687708.db2.gz MSQLUPGXVJSYBF-WMLDXEAASA-N 2 1 279.472 2.229 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000071146814 176042453 /nfs/dbraw/zinc/04/24/53/176042453.db2.gz BTTGVIVYGSMCSE-CYBMUJFWSA-N 2 1 278.396 2.054 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000071146814 176042454 /nfs/dbraw/zinc/04/24/54/176042454.db2.gz BTTGVIVYGSMCSE-CYBMUJFWSA-N 2 1 278.396 2.054 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000071146571 176042611 /nfs/dbraw/zinc/04/26/11/176042611.db2.gz OIVAKPOHNNIYGP-GFCCVEGCSA-N 2 1 295.814 2.210 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000071146255 176042672 /nfs/dbraw/zinc/04/26/72/176042672.db2.gz ZZVKXHKJQNAJSE-GFCCVEGCSA-N 2 1 273.355 2.415 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000071146255 176042673 /nfs/dbraw/zinc/04/26/73/176042673.db2.gz ZZVKXHKJQNAJSE-GFCCVEGCSA-N 2 1 273.355 2.415 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000071293039 176111300 /nfs/dbraw/zinc/11/13/00/176111300.db2.gz QWBOHJYUWKOKOQ-CQSZACIVSA-N 2 1 270.417 2.041 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2cnn3ccccc23)CC1 ZINC000071372755 176138531 /nfs/dbraw/zinc/13/85/31/176138531.db2.gz YOZDPLIVWJCMQI-UHFFFAOYSA-N 2 1 272.396 2.297 20 0 CEADMP C[C@H]1c2c(F)cccc2CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254113 415718518 /nfs/dbraw/zinc/71/85/18/415718518.db2.gz FLJVOMKGHRSSMY-JSGCOSHPSA-N 2 1 290.382 2.266 20 0 CEADMP CC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256342 415724367 /nfs/dbraw/zinc/72/43/67/415724367.db2.gz VEDBWONWYDMRDN-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP C[NH2+][C@H](C)c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468644 415725102 /nfs/dbraw/zinc/72/51/02/415725102.db2.gz PZVVIPWXKOKDQY-ZBFHGGJFSA-N 2 1 299.422 2.081 20 0 CEADMP C[NH2+][C@H](C)c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468641 415725213 /nfs/dbraw/zinc/72/52/13/415725213.db2.gz PZVVIPWXKOKDQY-GDBMZVCRSA-N 2 1 299.422 2.081 20 0 CEADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256330 415725385 /nfs/dbraw/zinc/72/53/85/415725385.db2.gz KWKSYJYJPNHHEZ-GJZGRUSLSA-N 2 1 266.429 2.408 20 0 CEADMP c1cc2c(s1)CCC[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662256549 415725633 /nfs/dbraw/zinc/72/56/33/415725633.db2.gz JMXMZLOHEAYJGL-CYBMUJFWSA-N 2 1 278.421 2.017 20 0 CEADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000662256221 415725904 /nfs/dbraw/zinc/72/59/04/415725904.db2.gz HKBRTRHDQSADIM-AWEZNQCLSA-N 2 1 296.480 2.259 20 0 CEADMP C[N@@H+](CCC1CCCCC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256957 415726174 /nfs/dbraw/zinc/72/61/74/415726174.db2.gz KQJZILDTDRHBQT-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)C1CCCCC1 ZINC000662242615 415704565 /nfs/dbraw/zinc/70/45/65/415704565.db2.gz CTXSXIFVNXTWEN-NWANDNLSSA-N 2 1 254.418 2.251 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000662245980 415707588 /nfs/dbraw/zinc/70/75/88/415707588.db2.gz XINWEBPJXGRYRZ-NSHDSACASA-N 2 1 261.394 2.119 20 0 CEADMP CO[C@H](C[N@@H+]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000662244364 415708202 /nfs/dbraw/zinc/70/82/02/415708202.db2.gz PQFSJADGPPFKBP-LSDHHAIUSA-N 2 1 254.418 2.395 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000662244364 415708208 /nfs/dbraw/zinc/70/82/08/415708208.db2.gz PQFSJADGPPFKBP-LSDHHAIUSA-N 2 1 254.418 2.395 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](OC)C1CCCCC1 ZINC000662245095 415708408 /nfs/dbraw/zinc/70/84/08/415708408.db2.gz KDTGJPAUVSPIHL-LSDHHAIUSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](OC)C1CCCCC1 ZINC000662245095 415708414 /nfs/dbraw/zinc/70/84/14/415708414.db2.gz KDTGJPAUVSPIHL-LSDHHAIUSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662276932 415744737 /nfs/dbraw/zinc/74/47/37/415744737.db2.gz AOUWLWYGRIKAEY-HUUCEWRRSA-N 2 1 287.451 2.247 20 0 CEADMP CCN1C[C@@H](C)[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662276932 415744743 /nfs/dbraw/zinc/74/47/43/415744743.db2.gz AOUWLWYGRIKAEY-HUUCEWRRSA-N 2 1 287.451 2.247 20 0 CEADMP CCN1C[C@@H](C)[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662276932 415744749 /nfs/dbraw/zinc/74/47/49/415744749.db2.gz AOUWLWYGRIKAEY-HUUCEWRRSA-N 2 1 287.451 2.247 20 0 CEADMP CCc1nocc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000662283446 415748819 /nfs/dbraw/zinc/74/88/19/415748819.db2.gz OHGTZYIZKWGJCX-WOPDTQHZSA-N 2 1 251.374 2.042 20 0 CEADMP CCc1nocc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000662283446 415748824 /nfs/dbraw/zinc/74/88/24/415748824.db2.gz OHGTZYIZKWGJCX-WOPDTQHZSA-N 2 1 251.374 2.042 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)[C@H]1CCO ZINC000662301636 415764446 /nfs/dbraw/zinc/76/44/46/415764446.db2.gz FZJBAOPNHQDAQS-HOCLYGCPSA-N 2 1 268.445 2.249 20 0 CEADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000662307063 415768867 /nfs/dbraw/zinc/76/88/67/415768867.db2.gz UISRJXGZEJRNCU-CVEARBPZSA-N 2 1 278.440 2.410 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662312906 415771919 /nfs/dbraw/zinc/77/19/19/415771919.db2.gz AEMURNNIENVQIK-GDBMZVCRSA-N 2 1 289.423 2.465 20 0 CEADMP COc1cccc([C@]2(C)CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)c1 ZINC000662310632 415771974 /nfs/dbraw/zinc/77/19/74/415771974.db2.gz LYHUEBWISGNTHU-RHSMWYFYSA-N 2 1 274.408 2.268 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])nn1C ZINC000662313058 415772867 /nfs/dbraw/zinc/77/28/67/415772867.db2.gz JDEFSFQSIYQIHV-IUODEOHRSA-N 2 1 264.417 2.068 20 0 CEADMP c1ccc(CCC[C@H]2CCC[N@H+]2C[C@H]2CNCCO2)cc1 ZINC000662283843 415752834 /nfs/dbraw/zinc/75/28/34/415752834.db2.gz CXVLUIZDARXEAA-ZWKOTPCHSA-N 2 1 288.435 2.462 20 0 CEADMP Cc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)no1 ZINC000662291081 415754472 /nfs/dbraw/zinc/75/44/72/415754472.db2.gz OOBUXABNWBZMJO-CQSZACIVSA-N 2 1 263.385 2.195 20 0 CEADMP Cc1noc([C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662290319 415754873 /nfs/dbraw/zinc/75/48/73/415754873.db2.gz CCGACIROVZYHOZ-FZMZJTMJSA-N 2 1 278.400 2.151 20 0 CEADMP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)CC(C)(C)[NH3+] ZINC000662292136 415755875 /nfs/dbraw/zinc/75/58/75/415755875.db2.gz BEEKRVCTMPKXIB-UHFFFAOYSA-N 2 1 283.803 2.338 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)CC(C)(C)[NH3+] ZINC000662292136 415755881 /nfs/dbraw/zinc/75/58/81/415755881.db2.gz BEEKRVCTMPKXIB-UHFFFAOYSA-N 2 1 283.803 2.338 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CCC1 ZINC000662287301 415756830 /nfs/dbraw/zinc/75/68/30/415756830.db2.gz XZKVBQBTRQZWQE-YLFCFFPRSA-N 2 1 296.455 2.020 20 0 CEADMP COc1ccc(C[N@@H+](C)CCCC2CC[NH2+]CC2)cn1 ZINC000662296608 415759110 /nfs/dbraw/zinc/75/91/10/415759110.db2.gz TYMVGCDZKHDLRG-UHFFFAOYSA-N 2 1 277.412 2.302 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662294234 415759881 /nfs/dbraw/zinc/75/98/81/415759881.db2.gz QBMUHPGFZBCAIG-INIZCTEOSA-N 3 1 290.455 2.064 20 0 CEADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000662319265 415779094 /nfs/dbraw/zinc/77/90/94/415779094.db2.gz LPKFRGJZKTWSLV-LLPGRJKPSA-N 2 1 288.435 2.180 20 0 CEADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)nc(C)n1 ZINC000660013312 415850222 /nfs/dbraw/zinc/85/02/22/415850222.db2.gz VSGPQWXKRUUETO-GOEBONIOSA-N 2 1 274.412 2.010 20 0 CEADMP C[N@H+](Cc1cc(C2CC2)no1)CC1CC[NH+](C)CC1 ZINC000659920376 415781386 /nfs/dbraw/zinc/78/13/86/415781386.db2.gz OQBDFBVOETXXFR-UHFFFAOYSA-N 2 1 263.385 2.326 20 0 CEADMP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)nc(C)n1 ZINC000660013312 415850226 /nfs/dbraw/zinc/85/02/26/415850226.db2.gz VSGPQWXKRUUETO-GOEBONIOSA-N 2 1 274.412 2.010 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)nc(C)n1 ZINC000660013312 415850230 /nfs/dbraw/zinc/85/02/30/415850230.db2.gz VSGPQWXKRUUETO-GOEBONIOSA-N 2 1 274.412 2.010 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)nc(C)n1 ZINC000660013312 415850249 /nfs/dbraw/zinc/85/02/49/415850249.db2.gz VSGPQWXKRUUETO-GOEBONIOSA-N 2 1 274.412 2.010 20 0 CEADMP COCC1([NH2+]CCCc2c[nH+]cn2C)CCCCC1 ZINC000662339698 415787708 /nfs/dbraw/zinc/78/77/08/415787708.db2.gz MMWNJHRBRHKMDT-UHFFFAOYSA-N 2 1 265.401 2.292 20 0 CEADMP CO[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C1CCCC1 ZINC000659947753 415801869 /nfs/dbraw/zinc/80/18/69/415801869.db2.gz NEMQVPXIIUTIJD-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000659947753 415801873 /nfs/dbraw/zinc/80/18/73/415801873.db2.gz NEMQVPXIIUTIJD-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000659947753 415801877 /nfs/dbraw/zinc/80/18/77/415801877.db2.gz NEMQVPXIIUTIJD-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](OC)C2CCC2)C1 ZINC000659982126 415826392 /nfs/dbraw/zinc/82/63/92/415826392.db2.gz GBTDYUZVZLBSIN-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](OC)C2CCC2)C1 ZINC000659982126 415826395 /nfs/dbraw/zinc/82/63/95/415826395.db2.gz GBTDYUZVZLBSIN-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC000659982126 415826397 /nfs/dbraw/zinc/82/63/97/415826397.db2.gz GBTDYUZVZLBSIN-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H](C)C1 ZINC000660122515 415889532 /nfs/dbraw/zinc/88/95/32/415889532.db2.gz WWFHCCYTBCHKQC-ILXRZTDVSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000660122515 415889535 /nfs/dbraw/zinc/88/95/35/415889535.db2.gz WWFHCCYTBCHKQC-ILXRZTDVSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000660122515 415889539 /nfs/dbraw/zinc/88/95/39/415889539.db2.gz WWFHCCYTBCHKQC-ILXRZTDVSA-N 2 1 256.434 2.056 20 0 CEADMP CC[N@H+]1C[C@H](C)N(CC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC000660152980 415906156 /nfs/dbraw/zinc/90/61/56/415906156.db2.gz CKJKDQYZQZSMJD-VQHPVUNQSA-N 2 1 281.488 2.379 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662668393 415925480 /nfs/dbraw/zinc/92/54/80/415925480.db2.gz LVSSDVUBYJCRER-SQWLQELKSA-N 2 1 293.455 2.027 20 0 CEADMP CCc1nn(C)cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656781962 415857786 /nfs/dbraw/zinc/85/77/86/415857786.db2.gz AZBWLDWHICWXAY-HNNXBMFYSA-N 2 1 290.455 2.194 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CC2([NH3+])CC2)c1 ZINC000662696316 415932233 /nfs/dbraw/zinc/93/22/33/415932233.db2.gz WXYSXNSKCCYUEH-UHFFFAOYSA-N 2 1 289.423 2.024 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](CC)[NH2+]C)c2C1 ZINC000662705552 415937015 /nfs/dbraw/zinc/93/70/15/415937015.db2.gz OMAIGSKPVMFDFT-AWEZNQCLSA-N 2 1 275.396 2.349 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](CC)[NH2+]C)c2C1 ZINC000662705552 415937018 /nfs/dbraw/zinc/93/70/18/415937018.db2.gz OMAIGSKPVMFDFT-AWEZNQCLSA-N 2 1 275.396 2.349 20 0 CEADMP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000192088521 298985400 /nfs/dbraw/zinc/98/54/00/298985400.db2.gz RCFWKUNTOUGLOQ-MJVIPROJSA-N 2 1 297.830 2.042 20 0 CEADMP COCC1(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000566738387 299019295 /nfs/dbraw/zinc/01/92/95/299019295.db2.gz YFXDVPOLMOBUSN-ZNMIVQPWSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192934749 227396600 /nfs/dbraw/zinc/39/66/00/227396600.db2.gz QPSVXGBUZQBLEH-KRWDZBQOSA-N 2 1 298.434 2.340 20 0 CEADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192934749 227396607 /nfs/dbraw/zinc/39/66/07/227396607.db2.gz QPSVXGBUZQBLEH-KRWDZBQOSA-N 2 1 298.434 2.340 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1nccn1Cc1ccccc1 ZINC000666743863 419412822 /nfs/dbraw/zinc/41/28/22/419412822.db2.gz IJGLPVLCTAVUPV-HOTGVXAUSA-N 2 1 284.407 2.148 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCc3ccccc3NC1=O)C2 ZINC000319556809 419485020 /nfs/dbraw/zinc/48/50/20/419485020.db2.gz FZVQMRDGOIAIQH-LESCRADOSA-N 2 1 299.418 2.001 20 0 CEADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666769298 419424467 /nfs/dbraw/zinc/42/44/67/419424467.db2.gz YIQLNCSAYAOGEK-KGLIPLIRSA-N 2 1 260.381 2.284 20 0 CEADMP COc1cccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1F ZINC000666844147 419447088 /nfs/dbraw/zinc/44/70/88/419447088.db2.gz NJUNLQXFZUNXAT-OAHLLOKOSA-N 2 1 266.360 2.314 20 0 CEADMP CCCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000667712280 419778782 /nfs/dbraw/zinc/77/87/82/419778782.db2.gz BIZCSSNMXVLZCJ-IYBDPMFKSA-N 2 1 274.408 2.435 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000179610667 260058228 /nfs/dbraw/zinc/05/82/28/260058228.db2.gz HCSWZKDLYPIWOJ-ZDUSSCGKSA-N 2 1 283.460 2.001 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000179610667 260058229 /nfs/dbraw/zinc/05/82/29/260058229.db2.gz HCSWZKDLYPIWOJ-ZDUSSCGKSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390430815 262192089 /nfs/dbraw/zinc/19/20/89/262192089.db2.gz PLFMDRRCENLNAR-PBHICJAKSA-N 2 1 284.407 2.019 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390521469 262205847 /nfs/dbraw/zinc/20/58/47/262205847.db2.gz GQRPZMJCVMPESJ-RCCFBDPRSA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390521469 262205849 /nfs/dbraw/zinc/20/58/49/262205849.db2.gz GQRPZMJCVMPESJ-RCCFBDPRSA-N 2 1 287.451 2.368 20 0 CEADMP COCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000222327482 270308563 /nfs/dbraw/zinc/30/85/63/270308563.db2.gz KLLGZJNJHDGOKH-BFHYXJOUSA-N 2 1 254.418 2.121 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(F)c1 ZINC000228622622 270312780 /nfs/dbraw/zinc/31/27/80/270312780.db2.gz YUIKUGKJXKZBDA-WDEREUQCSA-N 2 1 252.333 2.003 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(F)c1 ZINC000228622622 270312782 /nfs/dbraw/zinc/31/27/82/270312782.db2.gz YUIKUGKJXKZBDA-WDEREUQCSA-N 2 1 252.333 2.003 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000236939021 270317728 /nfs/dbraw/zinc/31/77/28/270317728.db2.gz AMQOFUCLGHXQDQ-PBHICJAKSA-N 2 1 295.471 2.003 20 0 CEADMP COc1ccc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000395137063 270345690 /nfs/dbraw/zinc/34/56/90/270345690.db2.gz FOWHSMCFCLUYKJ-CZUORRHYSA-N 2 1 262.397 2.358 20 0 CEADMP C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000396345951 270349323 /nfs/dbraw/zinc/34/93/23/270349323.db2.gz QNZADHOLDIBWMW-AEFFLSMTSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000398088420 270356242 /nfs/dbraw/zinc/35/62/42/270356242.db2.gz IUIUMHLCIWCIRF-NJAFHUGGSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)CN1Cc1ccccc1 ZINC000398088420 270356244 /nfs/dbraw/zinc/35/62/44/270356244.db2.gz IUIUMHLCIWCIRF-NJAFHUGGSA-N 2 1 287.451 2.381 20 0 CEADMP CCC([NH3+])(CC)CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000418446810 270375947 /nfs/dbraw/zinc/37/59/47/270375947.db2.gz ZXUPRZJFBFLJBL-CQSZACIVSA-N 2 1 298.475 2.020 20 0 CEADMP C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1c[nH+]ccc1N ZINC000422775755 270761994 /nfs/dbraw/zinc/76/19/94/270761994.db2.gz CFLBFADLHSIEHH-ZFWWWQNUSA-N 2 1 285.391 2.311 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000423160424 270855016 /nfs/dbraw/zinc/85/50/16/270855016.db2.gz HFGGTTSXLQVFFA-GVDBMIGSSA-N 3 1 279.472 2.371 20 0 CEADMP C[N@@H+](CCNC(=O)[C@H]1[NH2+]CCCC1(C)C)C1CCCCC1 ZINC000423322528 270897118 /nfs/dbraw/zinc/89/71/18/270897118.db2.gz HJWJCCDWDCSNAR-OAHLLOKOSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423323830 270897379 /nfs/dbraw/zinc/89/73/79/270897379.db2.gz OXAWZVTXBBYMPF-GUYCJALGSA-N 3 1 291.439 2.015 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000423441212 270912535 /nfs/dbraw/zinc/91/25/35/270912535.db2.gz BBBKRWFBHYUFMM-OCCSQVGLSA-N 2 1 258.369 2.260 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C(C)C ZINC000424283335 271039323 /nfs/dbraw/zinc/03/93/23/271039323.db2.gz BKJBBEKPWSPQOX-HNNXBMFYSA-N 2 1 295.471 2.096 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000424321616 271045877 /nfs/dbraw/zinc/04/58/77/271045877.db2.gz UVTNSEOKFOHWCI-NFOMZHRRSA-N 2 1 282.428 2.038 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000429495452 271335200 /nfs/dbraw/zinc/33/52/00/271335200.db2.gz WBDZOCIRVDZYGA-CJNGLKHVSA-N 2 1 289.423 2.197 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC2(OC)CCC2)C1 ZINC000429524301 271336480 /nfs/dbraw/zinc/33/64/80/271336480.db2.gz VYBPEFBVVXGDPE-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH2+]CC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000430542999 271389003 /nfs/dbraw/zinc/38/90/03/271389003.db2.gz LQOSZDHUJHYZIF-NSHDSACASA-N 2 1 278.400 2.330 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)C1CCCC1 ZINC000430572881 271391841 /nfs/dbraw/zinc/39/18/41/271391841.db2.gz PICOMRYSOWDVMX-LSDHHAIUSA-N 2 1 295.471 2.225 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)C1CCCC1 ZINC000430572881 271391846 /nfs/dbraw/zinc/39/18/46/271391846.db2.gz PICOMRYSOWDVMX-LSDHHAIUSA-N 2 1 295.471 2.225 20 0 CEADMP C[NH+](C)C1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000441184110 271794823 /nfs/dbraw/zinc/79/48/23/271794823.db2.gz YZTCHWKDAHEPDZ-UHFFFAOYSA-N 2 1 274.408 2.190 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]C2CCC3(CC3)CC2)CC1(C)C ZINC000441336540 271800177 /nfs/dbraw/zinc/80/01/77/271800177.db2.gz BIWMTLJSBNDJJP-UHFFFAOYSA-N 2 1 279.472 2.325 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C)CC1)CC2 ZINC000092835727 274135252 /nfs/dbraw/zinc/13/52/52/274135252.db2.gz LEWHMCPDBFHKLB-MRXNPFEDSA-N 2 1 260.381 2.366 20 0 CEADMP O[C@@H](C[NH2+][C@H]1CCc2ccc(Cl)cc21)C[NH+]1CCCC1 ZINC000343099313 275052538 /nfs/dbraw/zinc/05/25/38/275052538.db2.gz CRMJOGUKMYIAFF-HOCLYGCPSA-N 2 1 294.826 2.374 20 0 CEADMP c1cc2[nH+]ccc(N3CC[C@@]4(CC[NH2+]C4)C3)c2s1 ZINC000334990196 275065911 /nfs/dbraw/zinc/06/59/11/275065911.db2.gz QPROMTUGKAMMKV-CQSZACIVSA-N 2 1 259.378 2.486 20 0 CEADMP CC/C=C/CC[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372044097 276094968 /nfs/dbraw/zinc/09/49/68/276094968.db2.gz QSCJSFKLIWCOEA-BDUNBXCCSA-N 2 1 279.472 2.302 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367614531 276097765 /nfs/dbraw/zinc/09/77/65/276097765.db2.gz HGVRGSSRAVZFFD-CYBMUJFWSA-N 2 1 250.390 2.109 20 0 CEADMP CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000251190463 276103718 /nfs/dbraw/zinc/10/37/18/276103718.db2.gz SMLBBQILPUDEAF-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000251190463 276103719 /nfs/dbraw/zinc/10/37/19/276103719.db2.gz SMLBBQILPUDEAF-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@@H+](CC1CC[NH2+]CC1)C[C@H]1COc2ccccc2O1 ZINC000094025083 276121306 /nfs/dbraw/zinc/12/13/06/276121306.db2.gz MXJBOJFVMVJAKP-HNNXBMFYSA-N 2 1 290.407 2.148 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000359252244 276246020 /nfs/dbraw/zinc/24/60/20/276246020.db2.gz OOPPAAYQUQWQDL-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000359252244 276246022 /nfs/dbraw/zinc/24/60/22/276246022.db2.gz OOPPAAYQUQWQDL-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000359252244 276246024 /nfs/dbraw/zinc/24/60/24/276246024.db2.gz OOPPAAYQUQWQDL-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP CCN(C)C(=O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000364346941 276303181 /nfs/dbraw/zinc/30/31/81/276303181.db2.gz KPUIQAHXVIRAEL-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000261630277 276348913 /nfs/dbraw/zinc/34/89/13/276348913.db2.gz ATERHPCJEFUPDP-YESZJQIVSA-N 2 1 279.472 2.371 20 0 CEADMP CCN(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000261630277 276348914 /nfs/dbraw/zinc/34/89/14/276348914.db2.gz ATERHPCJEFUPDP-YESZJQIVSA-N 2 1 279.472 2.371 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000348292930 277060205 /nfs/dbraw/zinc/06/02/05/277060205.db2.gz NQKWBRWHYZKBHL-UPJWGTAASA-N 2 1 294.361 2.248 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000348292930 277060206 /nfs/dbraw/zinc/06/02/06/277060206.db2.gz NQKWBRWHYZKBHL-UPJWGTAASA-N 2 1 294.361 2.248 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000348292930 277060207 /nfs/dbraw/zinc/06/02/07/277060207.db2.gz NQKWBRWHYZKBHL-UPJWGTAASA-N 2 1 294.361 2.248 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000348292930 277060208 /nfs/dbraw/zinc/06/02/08/277060208.db2.gz NQKWBRWHYZKBHL-UPJWGTAASA-N 2 1 294.361 2.248 20 0 CEADMP COC(=O)[C@H]1CC12CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC2 ZINC000351598690 277123862 /nfs/dbraw/zinc/12/38/62/277123862.db2.gz UKPHAXLWLHKUJF-LSDHHAIUSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@H]1CC12CC[NH+](CC[C@@H]1CCCC[N@H+]1C)CC2 ZINC000351598690 277123864 /nfs/dbraw/zinc/12/38/64/277123864.db2.gz UKPHAXLWLHKUJF-LSDHHAIUSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@]1(C)CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000412118902 277143740 /nfs/dbraw/zinc/14/37/40/277143740.db2.gz ZUTHDCUJVKPRNT-GOEBONIOSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)[C@]1(C)CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000412118902 277143741 /nfs/dbraw/zinc/14/37/41/277143741.db2.gz ZUTHDCUJVKPRNT-GOEBONIOSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)[C@]1(C)CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000412118902 277143743 /nfs/dbraw/zinc/14/37/43/277143743.db2.gz ZUTHDCUJVKPRNT-GOEBONIOSA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000414762740 277172550 /nfs/dbraw/zinc/17/25/50/277172550.db2.gz WPICBTHFIHLPSF-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000337407374 277237320 /nfs/dbraw/zinc/23/73/20/277237320.db2.gz SZSPHCFWHRGZMX-YCPHGPKFSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)C1C[NH2+]C1 ZINC000335026005 277629270 /nfs/dbraw/zinc/62/92/70/277629270.db2.gz XWKWHSKXQHVXDT-QMTHXVAHSA-N 2 1 264.344 2.237 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C)CC1)CC2 ZINC000129473969 277962280 /nfs/dbraw/zinc/96/22/80/277962280.db2.gz RTCJKTCHFWAJII-INIZCTEOSA-N 2 1 274.408 2.236 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)n1 ZINC000415070393 278013611 /nfs/dbraw/zinc/01/36/11/278013611.db2.gz UWOIISDWOASSAS-IUODEOHRSA-N 2 1 277.412 2.128 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC[N@@H+]1C ZINC000185320954 278028926 /nfs/dbraw/zinc/02/89/26/278028926.db2.gz LGMKNCINQMMLSM-NGFQHRJXSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC[N@H+]1C ZINC000185320954 278028928 /nfs/dbraw/zinc/02/89/28/278028928.db2.gz LGMKNCINQMMLSM-NGFQHRJXSA-N 2 1 252.402 2.016 20 0 CEADMP CSC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000246439346 278126149 /nfs/dbraw/zinc/12/61/49/278126149.db2.gz OLBOZYQFFNPIER-MELADBBJSA-N 2 1 286.485 2.217 20 0 CEADMP CC1(C)CCC(C[N@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000313342854 278195648 /nfs/dbraw/zinc/19/56/48/278195648.db2.gz NTSSZWPBUYBZFZ-AWEZNQCLSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252152416 278216378 /nfs/dbraw/zinc/21/63/78/278216378.db2.gz OTLYYZBWYAOGGK-LVQVYYBASA-N 2 1 267.461 2.370 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000252152416 278216379 /nfs/dbraw/zinc/21/63/79/278216379.db2.gz OTLYYZBWYAOGGK-LVQVYYBASA-N 2 1 267.461 2.370 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CC[C@@H]1CCCCO1)CC[NH2+]CC2 ZINC000335281846 278328026 /nfs/dbraw/zinc/32/80/26/278328026.db2.gz ZTXUGNMZQBLLDX-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000157926212 278341967 /nfs/dbraw/zinc/34/19/67/278341967.db2.gz UUEBWGPICQEATM-YESZJQIVSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000157926212 278341968 /nfs/dbraw/zinc/34/19/68/278341968.db2.gz UUEBWGPICQEATM-YESZJQIVSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000157926212 278341972 /nfs/dbraw/zinc/34/19/72/278341972.db2.gz UUEBWGPICQEATM-YESZJQIVSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000157926212 278341973 /nfs/dbraw/zinc/34/19/73/278341973.db2.gz UUEBWGPICQEATM-YESZJQIVSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000157926212 278341974 /nfs/dbraw/zinc/34/19/74/278341974.db2.gz UUEBWGPICQEATM-YESZJQIVSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C1CCOCC1 ZINC000223842360 278348132 /nfs/dbraw/zinc/34/81/32/278348132.db2.gz LWYZQYTZVXFPPI-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000252715409 288079645 /nfs/dbraw/zinc/07/96/45/288079645.db2.gz VMHSBJYKLAVCRV-XOKHGSTOSA-N 2 1 258.409 2.474 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000252715409 288079648 /nfs/dbraw/zinc/07/96/48/288079648.db2.gz VMHSBJYKLAVCRV-XOKHGSTOSA-N 2 1 258.409 2.474 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000127333227 288076892 /nfs/dbraw/zinc/07/68/92/288076892.db2.gz OXDBRMKVLMMRIK-KFWWJZLASA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000127333227 288076896 /nfs/dbraw/zinc/07/68/96/288076896.db2.gz OXDBRMKVLMMRIK-KFWWJZLASA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000252713337 288079920 /nfs/dbraw/zinc/07/99/20/288079920.db2.gz OXDBRMKVLMMRIK-QLFBSQMISA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000252713337 288079922 /nfs/dbraw/zinc/07/99/22/288079922.db2.gz OXDBRMKVLMMRIK-QLFBSQMISA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCCC[NH+](C)C1CCCCC1 ZINC000343050179 288090795 /nfs/dbraw/zinc/09/07/95/288090795.db2.gz CBNNNYSIJVLERL-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@@H]1NCCC[N@H+](C)C1CCCCC1 ZINC000343050179 288090797 /nfs/dbraw/zinc/09/07/97/288090797.db2.gz CBNNNYSIJVLERL-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000343050179 288090798 /nfs/dbraw/zinc/09/07/98/288090798.db2.gz CBNNNYSIJVLERL-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)[NH+](C)C ZINC000353442011 279164779 /nfs/dbraw/zinc/16/47/79/279164779.db2.gz CNGUPQYPMCMMTB-VQHPVUNQSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000414697675 279180755 /nfs/dbraw/zinc/18/07/55/279180755.db2.gz CQQFDLAOKCIKIE-VYDXJSESSA-N 2 1 279.472 2.309 20 0 CEADMP CC(C)C[C@](C)(C[NH3+])NC(=O)CCn1cc[nH+]c1C(C)C ZINC000157472171 279235596 /nfs/dbraw/zinc/23/55/96/279235596.db2.gz MNXDTUVKMJTIOD-MRXNPFEDSA-N 2 1 294.443 2.276 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346667955 279252296 /nfs/dbraw/zinc/25/22/96/279252296.db2.gz FMGDXFQTRIMEAZ-UMVBOHGHSA-N 2 1 254.418 2.108 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000336049688 279258686 /nfs/dbraw/zinc/25/86/86/279258686.db2.gz VUABGVYVOLUUGH-UHFFFAOYSA-N 2 1 279.472 2.421 20 0 CEADMP C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414820380 279274631 /nfs/dbraw/zinc/27/46/31/279274631.db2.gz AQJDQAICHFPFRQ-OCCSQVGLSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000333333646 279372052 /nfs/dbraw/zinc/37/20/52/279372052.db2.gz WRXBPHCYANVSGE-BPLDGKMQSA-N 2 1 276.428 2.167 20 0 CEADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000336196925 288150242 /nfs/dbraw/zinc/15/02/42/288150242.db2.gz FJRKYBJXGLUXCG-SJLPKXTDSA-N 2 1 291.483 2.445 20 0 CEADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000366414632 280026074 /nfs/dbraw/zinc/02/60/74/280026074.db2.gz OOWHMMOGJFIGOP-NVXWUHKLSA-N 2 1 299.418 2.145 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CCO1 ZINC000163239104 280033114 /nfs/dbraw/zinc/03/31/14/280033114.db2.gz KVZUXVZVPTZUGP-XGUBFFRZSA-N 2 1 254.418 2.120 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCO1 ZINC000163239104 280033116 /nfs/dbraw/zinc/03/31/16/280033116.db2.gz KVZUXVZVPTZUGP-XGUBFFRZSA-N 2 1 254.418 2.120 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000137969971 280070194 /nfs/dbraw/zinc/07/01/94/280070194.db2.gz UGJDGMUVRMLBFG-MRXNPFEDSA-N 2 1 286.423 2.383 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCSC[C@H](C)C2)CC1 ZINC000192847895 280183957 /nfs/dbraw/zinc/18/39/57/280183957.db2.gz CIRIHOGLWSZTKB-MRXNPFEDSA-N 2 1 299.528 2.087 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000245203207 280236714 /nfs/dbraw/zinc/23/67/14/280236714.db2.gz MLJYJWYBDWAQIU-QLFBSQMISA-N 2 1 295.471 2.237 20 0 CEADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH+](CC)C[C@H]1C ZINC000247269823 280324599 /nfs/dbraw/zinc/32/45/99/280324599.db2.gz ZYFBNNZUMCCLGE-CABCVRRESA-N 2 1 255.450 2.038 20 0 CEADMP CCC[NH+](CC)CCN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000247269823 280324604 /nfs/dbraw/zinc/32/46/04/280324604.db2.gz ZYFBNNZUMCCLGE-CABCVRRESA-N 2 1 255.450 2.038 20 0 CEADMP CCC[NH+](CC)CCN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247269823 280324607 /nfs/dbraw/zinc/32/46/07/280324607.db2.gz ZYFBNNZUMCCLGE-CABCVRRESA-N 2 1 255.450 2.038 20 0 CEADMP C[C@@H]1CCCCN1C(=O)CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000247350456 280327503 /nfs/dbraw/zinc/32/75/03/280327503.db2.gz GRGOXGQHAMJXLI-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCSC)[C@@H](C)C1 ZINC000248034415 280342002 /nfs/dbraw/zinc/34/20/02/280342002.db2.gz RCKRHBKPQHMRSY-KBPBESRZSA-N 2 1 274.474 2.076 20 0 CEADMP C[NH+](CC[C@H]1CCCO1)CC[C@H]1CCCC[N@H+]1C ZINC000248885071 280371524 /nfs/dbraw/zinc/37/15/24/280371524.db2.gz XQUHCBUAZWDPAH-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP C[N@@H+](CC[C@H]1CCCO1)CC[C@H]1CCCC[NH+]1C ZINC000248885071 280371522 /nfs/dbraw/zinc/37/15/22/280371522.db2.gz XQUHCBUAZWDPAH-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP C[NH+](CC[C@H]1CCCO1)CC[C@H]1CCCC[N@@H+]1C ZINC000248885071 280371523 /nfs/dbraw/zinc/37/15/23/280371523.db2.gz XQUHCBUAZWDPAH-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP C[C@H]1COCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000249105380 280384392 /nfs/dbraw/zinc/38/43/92/280384392.db2.gz PEUZHFYJIYYXLD-LUGNKYPNSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H]1COCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000249105380 280384394 /nfs/dbraw/zinc/38/43/94/280384394.db2.gz PEUZHFYJIYYXLD-LUGNKYPNSA-N 2 1 252.402 2.016 20 0 CEADMP N[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422827573 280927237 /nfs/dbraw/zinc/92/72/37/280927237.db2.gz NGHPKDHJDAIFNT-CVEARBPZSA-N 2 1 293.480 2.430 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000422882044 280947833 /nfs/dbraw/zinc/94/78/33/280947833.db2.gz OVMYPAAQAQMVQE-AJNGGQMLSA-N 3 1 255.450 2.070 20 0 CEADMP CCCCCn1cc(C[NH2+][C@H](C)C2C[NH2+]C2)c(C)n1 ZINC000423025021 280997300 /nfs/dbraw/zinc/99/73/00/280997300.db2.gz NFBDRQHAKMZGSM-GFCCVEGCSA-N 2 1 264.417 2.079 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1c[nH+]ccc1N ZINC000423027647 280999295 /nfs/dbraw/zinc/99/92/95/280999295.db2.gz DUONMFAVHCWHQG-HIFRSBDPSA-N 2 1 285.391 2.138 20 0 CEADMP C[C@H]([NH2+]CCc1ccc(F)c(F)c1F)[C@@H]1CCC[NH2+]1 ZINC000423032973 281003079 /nfs/dbraw/zinc/00/30/79/281003079.db2.gz NWDRUAALETZZSL-CABZTGNLSA-N 2 1 272.314 2.377 20 0 CEADMP C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000423043747 281006038 /nfs/dbraw/zinc/00/60/38/281006038.db2.gz PWAWABJFDYTQMZ-ZOBUZTSGSA-N 3 1 287.451 2.095 20 0 CEADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000423043747 281006041 /nfs/dbraw/zinc/00/60/41/281006041.db2.gz PWAWABJFDYTQMZ-ZOBUZTSGSA-N 3 1 287.451 2.095 20 0 CEADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000423043747 281006043 /nfs/dbraw/zinc/00/60/43/281006043.db2.gz PWAWABJFDYTQMZ-ZOBUZTSGSA-N 3 1 287.451 2.095 20 0 CEADMP C[C@@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCC[NH2+]1 ZINC000423050802 281010886 /nfs/dbraw/zinc/01/08/86/281010886.db2.gz ZJFSSYCTTPVPNN-QSJFSLAZSA-N 2 1 279.472 2.370 20 0 CEADMP CC(C)N(C)c1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000423057699 281013179 /nfs/dbraw/zinc/01/31/79/281013179.db2.gz HZRARVTZHJFIJK-UHFFFAOYSA-N 2 1 261.413 2.373 20 0 CEADMP CC(C)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423061069 281015537 /nfs/dbraw/zinc/01/55/37/281015537.db2.gz PYBMSKUEEQRUCY-RRFJBIMHSA-N 2 1 268.445 2.415 20 0 CEADMP C[C@H]([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423162800 281021379 /nfs/dbraw/zinc/02/13/79/281021379.db2.gz QFWLWZRVFOOLLQ-HZSPNIEDSA-N 2 1 254.443 2.204 20 0 CEADMP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@H](C)C[NH3+])cc1OC ZINC000423330573 281023773 /nfs/dbraw/zinc/02/37/73/281023773.db2.gz PKXUQEMYPCSVOQ-WOPDTQHZSA-N 2 1 266.385 2.133 20 0 CEADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC1([NH3+])CCC1 ZINC000423331543 281024464 /nfs/dbraw/zinc/02/44/64/281024464.db2.gz OTGDJEDHRNNFMJ-LBPRGKRZSA-N 2 1 264.344 2.293 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423382640 281026886 /nfs/dbraw/zinc/02/68/86/281026886.db2.gz DPGZEMMHYPQNOB-ONGXEEELSA-N 2 1 283.213 2.243 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000423401538 281028280 /nfs/dbraw/zinc/02/82/80/281028280.db2.gz QZSXVSPPBIUELL-JBLDHEPKSA-N 2 1 282.409 2.183 20 0 CEADMP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423404810 281030792 /nfs/dbraw/zinc/03/07/92/281030792.db2.gz SUMGIANJAHRWEO-DCAQKATOSA-N 2 1 254.399 2.405 20 0 CEADMP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423404811 281030823 /nfs/dbraw/zinc/03/08/23/281030823.db2.gz SUMGIANJAHRWEO-GARJFASQSA-N 2 1 254.399 2.405 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2ccc3c(c2)C[NH2+]C3)[C@H](C)C1 ZINC000423406182 281031281 /nfs/dbraw/zinc/03/12/81/281031281.db2.gz YRJHTBSUBHZTIP-DYVFJYSZSA-N 2 1 273.424 2.110 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@H](C)C1 ZINC000423406182 281031283 /nfs/dbraw/zinc/03/12/83/281031283.db2.gz YRJHTBSUBHZTIP-DYVFJYSZSA-N 3 1 273.424 2.110 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@H](C)C1 ZINC000423406182 281031287 /nfs/dbraw/zinc/03/12/87/281031287.db2.gz YRJHTBSUBHZTIP-DYVFJYSZSA-N 3 1 273.424 2.110 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000423446864 281044912 /nfs/dbraw/zinc/04/49/12/281044912.db2.gz ZFZDLLKSDKAOKU-KNCCTNLNSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423465270 281048797 /nfs/dbraw/zinc/04/87/97/281048797.db2.gz HMNMRXCQZAVFMY-RPCCPQHDSA-N 3 1 293.430 2.234 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(C)cc1 ZINC000423530222 281063594 /nfs/dbraw/zinc/06/35/94/281063594.db2.gz YLYAWPDHSIQQIS-JKSUJKDBSA-N 2 1 262.397 2.414 20 0 CEADMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[C@H](C)[NH3+] ZINC000423772260 281090388 /nfs/dbraw/zinc/09/03/88/281090388.db2.gz HOCYCPPYWITPPF-XUWVNRHRSA-N 2 1 295.471 2.080 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000424274387 281141782 /nfs/dbraw/zinc/14/17/82/281141782.db2.gz YRXLNNHMCZMBJB-PBMMVSLJSA-N 2 1 296.455 2.428 20 0 CEADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CC(CC(=O)OC)C1 ZINC000424316906 281148923 /nfs/dbraw/zinc/14/89/23/281148923.db2.gz QOFKQDDOJRIIMH-NRXISQOPSA-N 2 1 282.428 2.182 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CC(CC(=O)OC)C1 ZINC000424316906 281148924 /nfs/dbraw/zinc/14/89/24/281148924.db2.gz QOFKQDDOJRIIMH-NRXISQOPSA-N 2 1 282.428 2.182 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431854673 281322848 /nfs/dbraw/zinc/32/28/48/281322848.db2.gz PHEYMLAYCBKHKN-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000431854673 281322849 /nfs/dbraw/zinc/32/28/49/281322849.db2.gz PHEYMLAYCBKHKN-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000431854673 281322850 /nfs/dbraw/zinc/32/28/50/281322850.db2.gz PHEYMLAYCBKHKN-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP COc1ccc2oc(C[N@H+]3CC[C@H](C[NH3+])C3)cc2c1 ZINC000435379513 281386642 /nfs/dbraw/zinc/38/66/42/281386642.db2.gz MQGUUTKDQPNKQE-LLVKDONJSA-N 2 1 260.337 2.222 20 0 CEADMP COCCOc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435430984 281389490 /nfs/dbraw/zinc/38/94/90/281389490.db2.gz GLEMGUKYEVBIFX-INIZCTEOSA-N 2 1 292.423 2.286 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@@H](C)O1 ZINC000414257444 288510725 /nfs/dbraw/zinc/51/07/25/288510725.db2.gz LEAGLHCUPQMJCG-UPJWGTAASA-N 2 1 252.402 2.016 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CCOCC1 ZINC000337990999 289062500 /nfs/dbraw/zinc/06/25/00/289062500.db2.gz VDVHKYNCGCNCEO-GJZGRUSLSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000156677227 289201275 /nfs/dbraw/zinc/20/12/75/289201275.db2.gz RVDWUEXOYXXZID-FXUDXRNXSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000156677227 289201276 /nfs/dbraw/zinc/20/12/76/289201276.db2.gz RVDWUEXOYXXZID-FXUDXRNXSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000156677227 289201278 /nfs/dbraw/zinc/20/12/78/289201278.db2.gz RVDWUEXOYXXZID-FXUDXRNXSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cncc(F)c1 ZINC000158220396 289230474 /nfs/dbraw/zinc/23/04/74/289230474.db2.gz MMLRCDZPIKSLRZ-NEPJUHHUSA-N 2 1 251.349 2.213 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cncc(F)c1 ZINC000158220396 289230475 /nfs/dbraw/zinc/23/04/75/289230475.db2.gz MMLRCDZPIKSLRZ-NEPJUHHUSA-N 2 1 251.349 2.213 20 0 CEADMP C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000370705727 289271555 /nfs/dbraw/zinc/27/15/55/289271555.db2.gz IOLZHHYCVJFURL-QKPAOTATSA-N 2 1 295.471 2.190 20 0 CEADMP CCOC[C@@H]([NH2+]CCCc1c[nH+]cn1C)C(C)C ZINC000314594043 289284123 /nfs/dbraw/zinc/28/41/23/289284123.db2.gz XERXGDXIQHDARD-CQSZACIVSA-N 2 1 253.390 2.003 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)ccc1F ZINC000401862280 289289073 /nfs/dbraw/zinc/28/90/73/289289073.db2.gz YHDZDEAZFLXYOY-LLVKDONJSA-N 2 1 277.343 2.461 20 0 CEADMP C[C@H](N[C@H]1C[N@@H+](C)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358476766 290058935 /nfs/dbraw/zinc/05/89/35/290058935.db2.gz YWTBRQGGFWEQIV-DLTWYDFYSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@H](N[C@H]1C[NH+](C)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358476766 290058939 /nfs/dbraw/zinc/05/89/39/290058939.db2.gz YWTBRQGGFWEQIV-DLTWYDFYSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@H](N[C@H]1C[NH+](C)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358476766 290058942 /nfs/dbraw/zinc/05/89/42/290058942.db2.gz YWTBRQGGFWEQIV-DLTWYDFYSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358476766 290058945 /nfs/dbraw/zinc/05/89/45/290058945.db2.gz YWTBRQGGFWEQIV-DLTWYDFYSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358476766 290058948 /nfs/dbraw/zinc/05/89/48/290058948.db2.gz YWTBRQGGFWEQIV-DLTWYDFYSA-N 2 1 279.472 2.179 20 0 CEADMP C[NH+](C)CC1(C[NH2+]C2CCN(C3CC3)CC2)CCCC1 ZINC000459487547 290162476 /nfs/dbraw/zinc/16/24/76/290162476.db2.gz YEQFSVTUQMUQSX-UHFFFAOYSA-N 2 1 279.472 2.325 20 0 CEADMP CO[C@@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)C(F)(F)F ZINC000459489450 290162599 /nfs/dbraw/zinc/16/25/99/290162599.db2.gz ARESNZLMGYHXQP-LBPRGKRZSA-N 2 1 280.334 2.170 20 0 CEADMP CC1(C)CC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)O1 ZINC000459490842 290163590 /nfs/dbraw/zinc/16/35/90/290163590.db2.gz LIXPECDUXHBTAC-CQSZACIVSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@](CO)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000459554942 290178005 /nfs/dbraw/zinc/17/80/05/290178005.db2.gz DTSFTAAQEBLVGW-SFHVURJKSA-N 2 1 288.435 2.153 20 0 CEADMP CC(C)[C@H](CO)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)C ZINC000459568280 290182072 /nfs/dbraw/zinc/18/20/72/290182072.db2.gz BMJHDBYGSZPHCG-IRXDYDNUSA-N 2 1 282.472 2.492 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H]1SC ZINC000459587087 290187716 /nfs/dbraw/zinc/18/77/16/290187716.db2.gz LCXGHIYHVDVEDJ-ZNMIVQPWSA-N 2 1 286.485 2.359 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2Cc3cccc(OC)c3C2)CC1 ZINC000459696757 290211684 /nfs/dbraw/zinc/21/16/84/290211684.db2.gz JXXJVWPRLQBECI-HNNXBMFYSA-N 2 1 274.408 2.236 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)[C@H]2CCC[C@H]21 ZINC000367595535 290214980 /nfs/dbraw/zinc/21/49/80/290214980.db2.gz BIPVGQQYPYJCML-FGTMMUONSA-N 2 1 291.483 2.323 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C12CCC2 ZINC000459741244 290223960 /nfs/dbraw/zinc/22/39/60/290223960.db2.gz BTMLRISTBJCHHN-HZSPNIEDSA-N 2 1 252.402 2.018 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@@H]1SC ZINC000459771341 290233979 /nfs/dbraw/zinc/23/39/79/290233979.db2.gz IIEBPHZSMBNNEU-BARDWOONSA-N 2 1 286.485 2.217 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000459799727 290245026 /nfs/dbraw/zinc/24/50/26/290245026.db2.gz ZATFTGJCXPKUOY-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC000459799727 290245028 /nfs/dbraw/zinc/24/50/28/290245028.db2.gz ZATFTGJCXPKUOY-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000459799727 290245029 /nfs/dbraw/zinc/24/50/29/290245029.db2.gz ZATFTGJCXPKUOY-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC000459799727 290245030 /nfs/dbraw/zinc/24/50/30/290245030.db2.gz ZATFTGJCXPKUOY-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000459799727 290245031 /nfs/dbraw/zinc/24/50/31/290245031.db2.gz ZATFTGJCXPKUOY-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H](c1ccccc1Cl)[NH+]1CCN(CCC[NH3+])CC1 ZINC000414669610 290263529 /nfs/dbraw/zinc/26/35/29/290263529.db2.gz BUJNQTIQYAWPTK-CYBMUJFWSA-N 2 1 281.831 2.367 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1-n1cccn1 ZINC000471766857 290282182 /nfs/dbraw/zinc/28/21/82/290282182.db2.gz BPAHBBFLGHIXMO-AWEZNQCLSA-N 2 1 295.390 2.499 20 0 CEADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000479548503 290309297 /nfs/dbraw/zinc/30/92/97/290309297.db2.gz PSBZBKXIIBJSNT-QLFBSQMISA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C/C=C\c2ccncc2)C1 ZINC000486970337 290325128 /nfs/dbraw/zinc/32/51/28/290325128.db2.gz RAIBGWKBANSQCM-IMMZDGJCSA-N 2 1 259.397 2.416 20 0 CEADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1CC1(C)C ZINC000487329650 290342859 /nfs/dbraw/zinc/34/28/59/290342859.db2.gz YNAMNRQHSAIBJD-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488412007 290396400 /nfs/dbraw/zinc/39/64/00/290396400.db2.gz KWWLJIUCIBCVID-UONOGXRCSA-N 2 1 288.501 2.465 20 0 CEADMP c1ccc2c(c1)OCC[C@H]2C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178435 298045826 /nfs/dbraw/zinc/04/58/26/298045826.db2.gz LCZFBUWKLSVPGK-XJKSGUPXSA-N 2 1 272.392 2.427 20 0 CEADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530177191 298045896 /nfs/dbraw/zinc/04/58/96/298045896.db2.gz IXTLVWFLTBMCFL-ZFWWWQNUSA-N 2 1 287.407 2.278 20 0 CEADMP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)C2 ZINC000530216186 298052650 /nfs/dbraw/zinc/05/26/50/298052650.db2.gz NPYYIHAVCHACKI-RHSMWYFYSA-N 2 1 286.419 2.427 20 0 CEADMP CC(C)(C)c1ncc2c(n1)CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000530221457 298055593 /nfs/dbraw/zinc/05/55/93/298055593.db2.gz DBRSGRYGGSDLCB-ZDUSSCGKSA-N 2 1 288.439 2.132 20 0 CEADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000532226043 298136508 /nfs/dbraw/zinc/13/65/08/298136508.db2.gz UPDLQZNLNFQERJ-HOTGVXAUSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@H]1CC[N@@H+](CCNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000532239343 298137675 /nfs/dbraw/zinc/13/76/75/298137675.db2.gz WCEHOLUEWHEAEY-AWEZNQCLSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H](Cc1ccsc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000541235495 298276917 /nfs/dbraw/zinc/27/69/17/298276917.db2.gz MCIITMCLFCNHAL-CQSZACIVSA-N 2 1 296.480 2.458 20 0 CEADMP C[C@H](Cc1ccsc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000541235495 298276918 /nfs/dbraw/zinc/27/69/18/298276918.db2.gz MCIITMCLFCNHAL-CQSZACIVSA-N 2 1 296.480 2.458 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)C1 ZINC000542475836 298290576 /nfs/dbraw/zinc/29/05/76/298290576.db2.gz LGAUXRZOPGWPID-UKRRQHHQSA-N 2 1 287.407 2.391 20 0 CEADMP C[C@@H]1C[C@H](C)[NH+](CC2(C[N@H+]3C[C@@H](C)C[C@@H]3C)COC2)C1 ZINC000543860177 298312577 /nfs/dbraw/zinc/31/25/77/298312577.db2.gz RVPONRJOZQZGHG-FZKCQIBNSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](CC2(C[NH+]3C[C@@H](C)C[C@@H]3C)COC2)C1 ZINC000543860177 298312580 /nfs/dbraw/zinc/31/25/80/298312580.db2.gz RVPONRJOZQZGHG-FZKCQIBNSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CC2(C[NH+]3C[C@@H](C)C[C@@H]3C)COC2)C1 ZINC000543860177 298312584 /nfs/dbraw/zinc/31/25/84/298312584.db2.gz RVPONRJOZQZGHG-FZKCQIBNSA-N 2 1 280.456 2.464 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@@H]3C)c2C1 ZINC000566563977 299003402 /nfs/dbraw/zinc/00/34/02/299003402.db2.gz OLSKHMOYNKGBQH-OCCSQVGLSA-N 2 1 287.407 2.349 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@@H]3C)c2C1 ZINC000566563977 299003404 /nfs/dbraw/zinc/00/34/04/299003404.db2.gz OLSKHMOYNKGBQH-OCCSQVGLSA-N 2 1 287.407 2.349 20 0 CEADMP CCc1ccc([C@H](COC)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000566747306 299020914 /nfs/dbraw/zinc/02/09/14/299020914.db2.gz FIUFIXUDOFQBGJ-BZPMIXESSA-N 2 1 266.385 2.389 20 0 CEADMP Cc1ncc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)n1C ZINC000566983975 299034160 /nfs/dbraw/zinc/03/41/60/299034160.db2.gz AZYFZPUAQYKRKE-YBTHPKLGSA-N 2 1 291.420 2.317 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000567246019 299045956 /nfs/dbraw/zinc/04/59/56/299045956.db2.gz CYYCYILALNLBMJ-IJEWVQPXSA-N 2 1 270.461 2.494 20 0 CEADMP FC(F)(F)CSCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358332171 303115684 /nfs/dbraw/zinc/11/56/84/303115684.db2.gz UOVCHBUIQBFDCW-WDEREUQCSA-N 2 1 282.375 2.498 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000500039536 313032211 /nfs/dbraw/zinc/03/22/11/313032211.db2.gz NMKLXXYCOGEVLC-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccn2)c2ccccc21 ZINC000516450520 313089341 /nfs/dbraw/zinc/08/93/41/313089341.db2.gz YJRKHZHMZNWORL-GJZGRUSLSA-N 2 1 296.374 2.145 20 0 CEADMP C(C[C@@H]1CCCOC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000527928969 313216205 /nfs/dbraw/zinc/21/62/05/313216205.db2.gz VIAHXAARMKUFES-RDJZCZTQSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000528009668 313224354 /nfs/dbraw/zinc/22/43/54/313224354.db2.gz WRVJLEKURSLTBY-ZAZJYDDPSA-N 2 1 252.402 2.015 20 0 CEADMP c1nc(C2CC2)nc2c1C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000530231709 313286813 /nfs/dbraw/zinc/28/68/13/313286813.db2.gz LBPKDFNHBFAOFB-CYBMUJFWSA-N 2 1 286.423 2.102 20 0 CEADMP OC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000567041453 313881698 /nfs/dbraw/zinc/88/16/98/313881698.db2.gz AHEHNPMWDHREBO-ZDUSSCGKSA-N 2 1 288.313 2.080 20 0 CEADMP Cn1ccnc1[C@H]1CC[N@@H+](CCOCC2CCCC2)C1 ZINC000570460949 314042624 /nfs/dbraw/zinc/04/26/24/314042624.db2.gz JNHRKNHXGJFWQM-HNNXBMFYSA-N 2 1 277.412 2.416 20 0 CEADMP CCc1ccc([C@H]2CC[NH+](C[C@H](O)C[N@H+](C)CC)C2)cc1 ZINC000571295418 314083544 /nfs/dbraw/zinc/08/35/44/314083544.db2.gz XKNDCOLSOLLSJY-ZWKOTPCHSA-N 2 1 290.451 2.351 20 0 CEADMP CCc1ccc([C@H]2CC[N@@H+](C[C@H](O)C[NH+](C)CC)C2)cc1 ZINC000571295418 314083545 /nfs/dbraw/zinc/08/35/45/314083545.db2.gz XKNDCOLSOLLSJY-ZWKOTPCHSA-N 2 1 290.451 2.351 20 0 CEADMP CCc1ccc([C@H]2CC[N@H+](C[C@H](O)C[NH+](C)CC)C2)cc1 ZINC000571295418 314083546 /nfs/dbraw/zinc/08/35/46/314083546.db2.gz XKNDCOLSOLLSJY-ZWKOTPCHSA-N 2 1 290.451 2.351 20 0 CEADMP CCc1ccc([C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)CC)C2)cc1 ZINC000571295415 314083750 /nfs/dbraw/zinc/08/37/50/314083750.db2.gz XKNDCOLSOLLSJY-MSOLQXFVSA-N 2 1 290.451 2.351 20 0 CEADMP CCc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C2)cc1 ZINC000571295415 314083755 /nfs/dbraw/zinc/08/37/55/314083755.db2.gz XKNDCOLSOLLSJY-MSOLQXFVSA-N 2 1 290.451 2.351 20 0 CEADMP CCc1ccc([C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)CC)C2)cc1 ZINC000571295415 314083756 /nfs/dbraw/zinc/08/37/56/314083756.db2.gz XKNDCOLSOLLSJY-MSOLQXFVSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCc2cncn2C)CC1 ZINC000576765883 314309306 /nfs/dbraw/zinc/30/93/06/314309306.db2.gz MQNKWTSXTAVVNM-UHFFFAOYSA-N 2 1 292.471 2.405 20 0 CEADMP CC(C)[N@H+](C)CC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000576765883 314309308 /nfs/dbraw/zinc/30/93/08/314309308.db2.gz MQNKWTSXTAVVNM-UHFFFAOYSA-N 3 1 292.471 2.405 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000576765883 314309312 /nfs/dbraw/zinc/30/93/12/314309312.db2.gz MQNKWTSXTAVVNM-UHFFFAOYSA-N 3 1 292.471 2.405 20 0 CEADMP CC(C)n1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000577499418 314383253 /nfs/dbraw/zinc/38/32/53/314383253.db2.gz HNRZSIXWKRBXAK-OCCSQVGLSA-N 2 1 250.390 2.071 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C(C)C)CC1 ZINC000577505901 314384486 /nfs/dbraw/zinc/38/44/86/314384486.db2.gz MRFVWXAWIIYMSI-CQSZACIVSA-N 2 1 256.434 2.057 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000577602610 314393751 /nfs/dbraw/zinc/39/37/51/314393751.db2.gz HCWVJORSDPIOSF-IHRRRGAJSA-N 2 1 282.453 2.319 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000577602610 314393752 /nfs/dbraw/zinc/39/37/52/314393752.db2.gz HCWVJORSDPIOSF-IHRRRGAJSA-N 2 1 282.453 2.319 20 0 CEADMP Cc1[nH+]ccc(NC[C@H]2CCC[N@H+](C)C2)c1Cl ZINC000393840474 329090165 /nfs/dbraw/zinc/09/01/65/329090165.db2.gz SJABCGCXLFCUJQ-LLVKDONJSA-N 2 1 253.777 2.219 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000579827443 321894966 /nfs/dbraw/zinc/89/49/66/321894966.db2.gz NWJATWHWKDXZRL-KDOFPFPSSA-N 2 1 288.435 2.367 20 0 CEADMP CC(C)CC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000580710316 322337411 /nfs/dbraw/zinc/33/74/11/322337411.db2.gz ZJAMCNXTVXEUPI-HUUCEWRRSA-N 2 1 256.434 2.105 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)c1ccccc1 ZINC000581437418 322396636 /nfs/dbraw/zinc/39/66/36/322396636.db2.gz LFYNYLVGWDDODR-ZBFHGGJFSA-N 2 1 264.413 2.035 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)c1ccccc1 ZINC000581437418 322396638 /nfs/dbraw/zinc/39/66/38/322396638.db2.gz LFYNYLVGWDDODR-ZBFHGGJFSA-N 2 1 264.413 2.035 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000581437418 322396641 /nfs/dbraw/zinc/39/66/41/322396641.db2.gz LFYNYLVGWDDODR-ZBFHGGJFSA-N 2 1 264.413 2.035 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000581437418 322396644 /nfs/dbraw/zinc/39/66/44/322396644.db2.gz LFYNYLVGWDDODR-ZBFHGGJFSA-N 2 1 264.413 2.035 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000582073179 322445820 /nfs/dbraw/zinc/44/58/20/322445820.db2.gz VYHVATCPJXAOOG-OLZOCXBDSA-N 2 1 262.401 2.168 20 0 CEADMP C[C@H]1CC[NH2+][C@@H](c2nc(C3([NH3+])CCCCC3)no2)C1 ZINC000582719982 322497090 /nfs/dbraw/zinc/49/70/90/322497090.db2.gz QIPCIGSSSXKMNA-WDEREUQCSA-N 2 1 264.373 2.248 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000583701556 322563042 /nfs/dbraw/zinc/56/30/42/322563042.db2.gz SRQWOSSZHQLIDG-GOSISDBHSA-N 2 1 299.418 2.166 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000155459672 519740228 /nfs/dbraw/zinc/74/02/28/519740228.db2.gz LEXNEAOPRRCZOI-WBMJQRKESA-N 2 1 275.396 2.075 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000155459672 519740230 /nfs/dbraw/zinc/74/02/30/519740230.db2.gz LEXNEAOPRRCZOI-WBMJQRKESA-N 2 1 275.396 2.075 20 0 CEADMP CN(C)c1cc[nH+]cc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000183508736 521931125 /nfs/dbraw/zinc/93/11/25/521931125.db2.gz FOVACGKBVHWERA-UHFFFAOYSA-N 2 1 298.390 2.462 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@](C)(O)c2cccc(Cl)c2)CC1 ZINC000184963511 523777547 /nfs/dbraw/zinc/77/75/47/523777547.db2.gz FOBZTMFWORDZMV-OAHLLOKOSA-N 2 1 282.815 2.231 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)C2)C1 ZINC000366547667 523976352 /nfs/dbraw/zinc/97/63/52/523976352.db2.gz AIPQOEREBPVUNE-HZPDHXFCSA-N 2 1 294.826 2.401 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)C2)C1 ZINC000366547667 523976347 /nfs/dbraw/zinc/97/63/47/523976347.db2.gz AIPQOEREBPVUNE-HZPDHXFCSA-N 2 1 294.826 2.401 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)C2)C1 ZINC000366547667 523976350 /nfs/dbraw/zinc/97/63/50/523976350.db2.gz AIPQOEREBPVUNE-HZPDHXFCSA-N 2 1 294.826 2.401 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)c3ccc(Cl)cc3)C2)C1 ZINC000366547667 523976351 /nfs/dbraw/zinc/97/63/51/523976351.db2.gz AIPQOEREBPVUNE-HZPDHXFCSA-N 2 1 294.826 2.401 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1OC ZINC000049551706 524074061 /nfs/dbraw/zinc/07/40/61/524074061.db2.gz AGOGSYURKVCHHN-LBPRGKRZSA-N 2 1 266.385 2.134 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000151331206 524896947 /nfs/dbraw/zinc/89/69/47/524896947.db2.gz GCFQTVDPDTYJBK-QAPCUYQASA-N 2 1 298.434 2.361 20 0 CEADMP Cc1c[nH]nc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000365668088 526027436 /nfs/dbraw/zinc/02/74/36/526027436.db2.gz PLDNOXFPMTWFIR-UHFFFAOYSA-N 2 1 262.401 2.026 20 0 CEADMP Cc1cn[nH]c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000365668088 526027449 /nfs/dbraw/zinc/02/74/49/526027449.db2.gz PLDNOXFPMTWFIR-UHFFFAOYSA-N 2 1 262.401 2.026 20 0 CEADMP Cc1cn[nH]c1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000365668088 526027458 /nfs/dbraw/zinc/02/74/58/526027458.db2.gz PLDNOXFPMTWFIR-UHFFFAOYSA-N 2 1 262.401 2.026 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000365831847 527399586 /nfs/dbraw/zinc/39/95/86/527399586.db2.gz RWQFPAVGEFVYRC-OAHLLOKOSA-N 2 1 273.384 2.115 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000365831847 527399588 /nfs/dbraw/zinc/39/95/88/527399588.db2.gz RWQFPAVGEFVYRC-OAHLLOKOSA-N 2 1 273.384 2.115 20 0 CEADMP C(C[NH2+]C1CC[NH+](C2CC2)CC1)C[C@H]1CCOC1 ZINC000402382736 527483962 /nfs/dbraw/zinc/48/39/62/527483962.db2.gz NYAPOROMCUVZBB-ZDUSSCGKSA-N 2 1 252.402 2.020 20 0 CEADMP CCC[N@@H+](CCOCC[NH3+])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000357105295 528101305 /nfs/dbraw/zinc/10/13/05/528101305.db2.gz NUMDMIWQTHISRX-JKSUJKDBSA-N 2 1 298.471 2.412 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)NCC1([NH3+])CCCCCC1 ZINC000417609052 528343572 /nfs/dbraw/zinc/34/35/72/528343572.db2.gz JWZKSOLIGNHDGC-UHFFFAOYSA-N 2 1 298.475 2.069 20 0 CEADMP CC(C)c1nnc(C[NH+]2CCC(CC[NH+](C)C)CC2)o1 ZINC000171145548 528424694 /nfs/dbraw/zinc/42/46/94/528424694.db2.gz KFFOJFTWPJJINK-UHFFFAOYSA-N 2 1 280.416 2.357 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)COC ZINC000191500824 528865932 /nfs/dbraw/zinc/86/59/32/528865932.db2.gz KJIPWSLQHBXWIY-CYBMUJFWSA-N 2 1 253.390 2.192 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)COC ZINC000191500824 528865935 /nfs/dbraw/zinc/86/59/35/528865935.db2.gz KJIPWSLQHBXWIY-CYBMUJFWSA-N 2 1 253.390 2.192 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000334842128 529130286 /nfs/dbraw/zinc/13/02/86/529130286.db2.gz LDAICOSCNLTHNZ-CYBMUJFWSA-N 2 1 252.333 2.009 20 0 CEADMP CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000357548826 529343779 /nfs/dbraw/zinc/34/37/79/529343779.db2.gz BPDPBNAIVJPTII-GOEBONIOSA-N 2 1 295.471 2.238 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348080973 538802391 /nfs/dbraw/zinc/80/23/91/538802391.db2.gz HMKCAGFYGSZEJU-IAGOWNOFSA-N 2 1 279.472 2.182 20 0 CEADMP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000751502840 574469924 /nfs/dbraw/zinc/46/99/24/574469924.db2.gz IORZEWHRVNZJTG-OLZOCXBDSA-N 2 1 265.788 2.451 20 0 CEADMP Clc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000751502840 574469925 /nfs/dbraw/zinc/46/99/25/574469925.db2.gz IORZEWHRVNZJTG-OLZOCXBDSA-N 2 1 265.788 2.451 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729932009 574496063 /nfs/dbraw/zinc/49/60/63/574496063.db2.gz RABSLRFTTXGCQK-CQSZACIVSA-N 2 1 279.384 2.253 20 0 CEADMP c1cc(N2CCCC2)nc(NC2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000730106875 574501833 /nfs/dbraw/zinc/50/18/33/574501833.db2.gz NUSXHELIEMGUHQ-UHFFFAOYSA-N 2 1 287.411 2.116 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000684378481 574658444 /nfs/dbraw/zinc/65/84/44/574658444.db2.gz WJPDCAMLAKSNOM-HZPDHXFCSA-N 2 1 296.455 2.179 20 0 CEADMP CC[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000388123046 574799175 /nfs/dbraw/zinc/79/91/75/574799175.db2.gz KICUTBMIGWXEQG-GHMZBOCLSA-N 2 1 266.389 2.274 20 0 CEADMP CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000388123046 574799176 /nfs/dbraw/zinc/79/91/76/574799176.db2.gz KICUTBMIGWXEQG-GHMZBOCLSA-N 2 1 266.389 2.274 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000756073053 574796696 /nfs/dbraw/zinc/79/66/96/574796696.db2.gz UZXQPISHTKDUHW-HZSPNIEDSA-N 2 1 299.459 2.220 20 0 CEADMP Cc1cc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000742423747 575021426 /nfs/dbraw/zinc/02/14/26/575021426.db2.gz ZKATYVMESWXUGN-HNNXBMFYSA-N 2 1 297.406 2.078 20 0 CEADMP OCCCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749515540 575223992 /nfs/dbraw/zinc/22/39/92/575223992.db2.gz TWEXZWQKHIBFEG-WBVHZDCISA-N 2 1 280.456 2.488 20 0 CEADMP OCCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000749515540 575223994 /nfs/dbraw/zinc/22/39/94/575223994.db2.gz TWEXZWQKHIBFEG-WBVHZDCISA-N 2 1 280.456 2.488 20 0 CEADMP OCCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000749515540 575223995 /nfs/dbraw/zinc/22/39/95/575223995.db2.gz TWEXZWQKHIBFEG-WBVHZDCISA-N 2 1 280.456 2.488 20 0 CEADMP CC(C)[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000963908309 613943076 /nfs/dbraw/zinc/94/30/76/613943076.db2.gz QINFEUIQHFHIGU-FHERZECASA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000964184823 613943195 /nfs/dbraw/zinc/94/31/95/613943195.db2.gz JTMOQGNGEZVCJE-FHERZECASA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000981147411 614089681 /nfs/dbraw/zinc/08/96/81/614089681.db2.gz SBEKMONITAHDBU-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1)[NH+]1CCCC1 ZINC000980491354 614189201 /nfs/dbraw/zinc/18/92/01/614189201.db2.gz SPWIAZASIJFPSO-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000981165288 614635123 /nfs/dbraw/zinc/63/51/23/614635123.db2.gz SIMYIDOXPNCJDS-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](C(C)C)C1 ZINC000957279671 614674811 /nfs/dbraw/zinc/67/48/11/614674811.db2.gz ZIGJBHHHZUDRMU-LSDHHAIUSA-N 2 1 295.471 2.048 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948245253 614988931 /nfs/dbraw/zinc/98/89/31/614988931.db2.gz NZCJUHJVUZACHQ-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000948245253 614988933 /nfs/dbraw/zinc/98/89/33/614988933.db2.gz NZCJUHJVUZACHQ-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000948245253 614988934 /nfs/dbraw/zinc/98/89/34/614988934.db2.gz NZCJUHJVUZACHQ-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947684535 615011112 /nfs/dbraw/zinc/01/11/12/615011112.db2.gz IRLMCFFAVXNDRO-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000968857134 615107109 /nfs/dbraw/zinc/10/71/09/615107109.db2.gz TZEHSCGZDFUPNY-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000394242814 622771468 /nfs/dbraw/zinc/77/14/68/622771468.db2.gz QZFQFCCWFSEZFS-PMPSAXMXSA-N 2 1 270.461 2.492 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1cccs1 ZINC000932928356 623395365 /nfs/dbraw/zinc/39/53/65/623395365.db2.gz ZXEILFGLCQRXFK-GOEBONIOSA-N 2 1 296.480 2.458 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1cccs1 ZINC000932928356 623395369 /nfs/dbraw/zinc/39/53/69/623395369.db2.gz ZXEILFGLCQRXFK-GOEBONIOSA-N 2 1 296.480 2.458 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1cccs1 ZINC000932928356 623395374 /nfs/dbraw/zinc/39/53/74/623395374.db2.gz ZXEILFGLCQRXFK-GOEBONIOSA-N 2 1 296.480 2.458 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCN(C)C[C@@H]1CC(C)C ZINC000933252542 623559487 /nfs/dbraw/zinc/55/94/87/623559487.db2.gz YJLWXXLSAOMQPW-INIZCTEOSA-N 2 1 278.444 2.244 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCN(C)C[C@@H]1CC(C)C ZINC000933252542 623559489 /nfs/dbraw/zinc/55/94/89/623559489.db2.gz YJLWXXLSAOMQPW-INIZCTEOSA-N 2 1 278.444 2.244 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCC(C)(C)[NH3+] ZINC000891533456 623766102 /nfs/dbraw/zinc/76/61/02/623766102.db2.gz XUQHVCHDLHAPIY-CQSZACIVSA-N 2 1 298.475 2.068 20 0 CEADMP Cc1nc([C@H]2CCCC[N@H+]2CC2CC[NH+](C)CC2)no1 ZINC000891763258 623950126 /nfs/dbraw/zinc/95/01/26/623950126.db2.gz YAOLGNWPOUPFCK-CQSZACIVSA-N 2 1 278.400 2.247 20 0 CEADMP Cc1nc([C@H]2CCCC[N@@H+]2CC2CC[NH+](C)CC2)no1 ZINC000891763258 623950128 /nfs/dbraw/zinc/95/01/28/623950128.db2.gz YAOLGNWPOUPFCK-CQSZACIVSA-N 2 1 278.400 2.247 20 0 CEADMP Cc1cc(N)nc(NCCCC[N@@H+]2CCCC[C@@H]2C)[nH+]1 ZINC000891845929 624017554 /nfs/dbraw/zinc/01/75/54/624017554.db2.gz FURYPOVARCXHGS-ZDUSSCGKSA-N 2 1 277.416 2.434 20 0 CEADMP Cc1[nH+]ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c1Br ZINC000892001178 624242098 /nfs/dbraw/zinc/24/20/98/624242098.db2.gz XLAFWGVSSHZADO-JTQLQIEISA-N 2 1 296.212 2.223 20 0 CEADMP Cc1[nH+]ccc(N[C@H]2CC[N@H+](C3CC3)C2)c1Br ZINC000892001178 624242100 /nfs/dbraw/zinc/24/21/00/624242100.db2.gz XLAFWGVSSHZADO-JTQLQIEISA-N 2 1 296.212 2.223 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(Br)cc2)CC1 ZINC000258982091 624254719 /nfs/dbraw/zinc/25/47/19/624254719.db2.gz CNTMFTJBJXRBKE-UHFFFAOYSA-N 2 1 255.159 2.030 20 0 CEADMP C[NH+]1CCC(C[N@@H+](CCO)[C@H]2CCc3ccccc32)CC1 ZINC000892041408 624272332 /nfs/dbraw/zinc/27/23/32/624272332.db2.gz HOBCGHZFLKRNEE-SFHVURJKSA-N 2 1 288.435 2.310 20 0 CEADMP Cc1ccc([C@H]2COCC[N@H+]2CC2CC[NH+](C)CC2)o1 ZINC000892058370 624285207 /nfs/dbraw/zinc/28/52/07/624285207.db2.gz VEXPKJAQBUADSB-OAHLLOKOSA-N 2 1 278.396 2.303 20 0 CEADMP Cc1ccc([C@H]2COCC[N@@H+]2CC2CC[NH+](C)CC2)o1 ZINC000892058370 624285210 /nfs/dbraw/zinc/28/52/10/624285210.db2.gz VEXPKJAQBUADSB-OAHLLOKOSA-N 2 1 278.396 2.303 20 0 CEADMP C[C@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)[NH+](C)C ZINC000923779595 625713426 /nfs/dbraw/zinc/71/34/26/625713426.db2.gz BLHKPWNQVDJRDK-LLVKDONJSA-N 2 1 274.368 2.421 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCSC[C@@H]1C ZINC000934305291 624399861 /nfs/dbraw/zinc/39/98/61/624399861.db2.gz XVUVKUQMCVZCNK-LBPRGKRZSA-N 2 1 253.415 2.409 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCSC[C@@H]1C ZINC000934305291 624399868 /nfs/dbraw/zinc/39/98/68/624399868.db2.gz XVUVKUQMCVZCNK-LBPRGKRZSA-N 2 1 253.415 2.409 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2c(F)cc(F)cc2F)C1 ZINC000848719625 624406525 /nfs/dbraw/zinc/40/65/25/624406525.db2.gz AHEXZWGFICRDRX-NXEZZACHSA-N 2 1 258.287 2.463 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934330980 624421328 /nfs/dbraw/zinc/42/13/28/624421328.db2.gz UOTUTTQNDYKURS-CYBMUJFWSA-N 2 1 276.409 2.213 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934330980 624421332 /nfs/dbraw/zinc/42/13/32/624421332.db2.gz UOTUTTQNDYKURS-CYBMUJFWSA-N 2 1 276.409 2.213 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCOC12CCCC2 ZINC000934386768 624460389 /nfs/dbraw/zinc/46/03/89/624460389.db2.gz QNVLXNITJWGWNC-UONOGXRCSA-N 2 1 252.402 2.162 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000052047893 624745240 /nfs/dbraw/zinc/74/52/40/624745240.db2.gz BYSRGLPJJUHRIL-CYBMUJFWSA-N 2 1 266.433 2.163 20 0 CEADMP CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001023446001 625015912 /nfs/dbraw/zinc/01/59/12/625015912.db2.gz GXXVJPOBNYNHMW-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001023446001 625015914 /nfs/dbraw/zinc/01/59/14/625015914.db2.gz GXXVJPOBNYNHMW-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001023446001 625015915 /nfs/dbraw/zinc/01/59/15/625015915.db2.gz GXXVJPOBNYNHMW-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC000737995743 625031447 /nfs/dbraw/zinc/03/14/47/625031447.db2.gz RSNRJZSMEYVHFQ-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCOCC1 ZINC000235196449 625072171 /nfs/dbraw/zinc/07/21/71/625072171.db2.gz FFKVSMXPUVCREY-JZIBPQBNSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H](Cc1ccccn1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000926573384 625139517 /nfs/dbraw/zinc/13/95/17/625139517.db2.gz MFLKOEHWTAKALU-LSDHHAIUSA-N 2 1 261.413 2.334 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@]1(C)CC1(F)F ZINC000926703732 625777911 /nfs/dbraw/zinc/77/79/11/625777911.db2.gz FPPFSPOJYYMUSC-ZGVCCVRISA-N 2 1 258.356 2.352 20 0 CEADMP CCNC(NCCCC[N@H+]1CCCC[C@@H]1C)=[NH+]CC ZINC000066243335 625815938 /nfs/dbraw/zinc/81/59/38/625815938.db2.gz LESAXEWFOJIAOT-AWEZNQCLSA-N 2 1 268.449 2.216 20 0 CEADMP CCON1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000926738490 625929905 /nfs/dbraw/zinc/92/99/05/625929905.db2.gz LSKYYTIVTKODAT-MRXNPFEDSA-N 2 1 295.471 2.114 20 0 CEADMP COC[C@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)C(C)C ZINC000903454612 635138470 /nfs/dbraw/zinc/13/84/70/635138470.db2.gz FIRNIUHZPBGUKZ-GJZGRUSLSA-N 2 1 256.434 2.402 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000820805565 634532511 /nfs/dbraw/zinc/53/25/11/634532511.db2.gz NCCQPRYGVVEXKW-AWEZNQCLSA-N 3 1 275.440 2.493 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1C ZINC000892763930 627756685 /nfs/dbraw/zinc/75/66/85/627756685.db2.gz QVCDBHZHGIOJHU-ZDUSSCGKSA-N 2 1 278.396 2.211 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](CCO)c2ccco2)C1 ZINC000902373305 634604952 /nfs/dbraw/zinc/60/49/52/634604952.db2.gz CEWWIDBQTIDSQM-CHWSQXEVSA-N 2 1 266.385 2.071 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@@]2(C)Br)C1 ZINC000892946787 627878413 /nfs/dbraw/zinc/87/84/13/627878413.db2.gz NYDIJDKFLPXYIU-IJLUTSLNSA-N 2 1 275.234 2.091 20 0 CEADMP Cc1ccc(OC[C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000328571547 627892186 /nfs/dbraw/zinc/89/21/86/627892186.db2.gz SSSKVEYMJMUNER-RUGNVHPYSA-N 2 1 286.419 2.348 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358117 634614477 /nfs/dbraw/zinc/61/44/77/634614477.db2.gz AWYBFMUHPRDSNR-AWEZNQCLSA-N 2 1 255.450 2.085 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358117 634614480 /nfs/dbraw/zinc/61/44/80/634614480.db2.gz AWYBFMUHPRDSNR-AWEZNQCLSA-N 3 1 255.450 2.085 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358117 634614483 /nfs/dbraw/zinc/61/44/83/634614483.db2.gz AWYBFMUHPRDSNR-AWEZNQCLSA-N 3 1 255.450 2.085 20 0 CEADMP CC(C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001020239974 627948445 /nfs/dbraw/zinc/94/84/45/627948445.db2.gz PIVGXPSKZMGPNH-IIAWOOMASA-N 2 1 293.455 2.039 20 0 CEADMP CC[C@@H](CO)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000930459665 628004510 /nfs/dbraw/zinc/00/45/10/628004510.db2.gz HXMRHJHEGDGGDK-ZWKOTPCHSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@@H](CO)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000930459665 628004513 /nfs/dbraw/zinc/00/45/13/628004513.db2.gz HXMRHJHEGDGGDK-ZWKOTPCHSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@@H](CO)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000930459665 628004517 /nfs/dbraw/zinc/00/45/17/628004517.db2.gz HXMRHJHEGDGGDK-ZWKOTPCHSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H](CNC(=[NH2+])NC1CCCCCC1)[N@@H+](C)C1CC1 ZINC000092278043 628095116 /nfs/dbraw/zinc/09/51/16/628095116.db2.gz WCCGQDFHPPUNCG-LBPRGKRZSA-N 2 1 266.433 2.096 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000902387825 634630219 /nfs/dbraw/zinc/63/02/19/634630219.db2.gz MAUKVJGBHOOLRP-LLVKDONJSA-N 2 1 251.374 2.105 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000902394003 634633806 /nfs/dbraw/zinc/63/38/06/634633806.db2.gz UIKYZUUJQYSVFR-INIZCTEOSA-N 2 1 273.424 2.158 20 0 CEADMP C[C@H]([NH3+])CCN[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902390639 634631767 /nfs/dbraw/zinc/63/17/67/634631767.db2.gz OYYSMAYMPNDYFM-XHDPSFHLSA-N 2 1 285.382 2.462 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1ccccc1F ZINC000925664287 628379584 /nfs/dbraw/zinc/37/95/84/628379584.db2.gz XSZMYZNLZNUMCI-WFASDCNBSA-N 2 1 250.361 2.488 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925672607 628456430 /nfs/dbraw/zinc/45/64/30/628456430.db2.gz WFQGWDUXKZGMGL-XUWVNRHRSA-N 2 1 279.472 2.227 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925684255 628489414 /nfs/dbraw/zinc/48/94/14/628489414.db2.gz FYBIVLOXZCSSFV-ZIAGYGMSSA-N 2 1 267.461 2.356 20 0 CEADMP CC1(C)CCCN1CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925684255 628489417 /nfs/dbraw/zinc/48/94/17/628489417.db2.gz FYBIVLOXZCSSFV-ZIAGYGMSSA-N 2 1 267.461 2.356 20 0 CEADMP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925702508 628542700 /nfs/dbraw/zinc/54/27/00/628542700.db2.gz AYQFGJKUTGAEDX-GJZGRUSLSA-N 2 1 254.418 2.168 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1OC ZINC000902472732 634664031 /nfs/dbraw/zinc/66/40/31/634664031.db2.gz GLWAMXIASZDSPN-REBRKWNGSA-N 2 1 290.407 2.117 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000925704597 628548483 /nfs/dbraw/zinc/54/84/83/628548483.db2.gz YYQLQMVBFZFFPZ-OJLVUWQFSA-N 2 1 275.396 2.032 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000925706047 628552430 /nfs/dbraw/zinc/55/24/30/628552430.db2.gz DVUTZYLNEYELRZ-HJWJTTGWSA-N 2 1 274.408 2.289 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000925712568 628563179 /nfs/dbraw/zinc/56/31/79/628563179.db2.gz YDUMZMIVXYSZSR-JYJNAYRXSA-N 2 1 274.408 2.289 20 0 CEADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925714067 628568041 /nfs/dbraw/zinc/56/80/41/628568041.db2.gz NMPCNMUNOCMEOJ-CFVMTHIKSA-N 2 1 288.391 2.378 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCCO1 ZINC000925714634 628572304 /nfs/dbraw/zinc/57/23/04/628572304.db2.gz SYKDJKYWWIODEX-IHRRRGAJSA-N 2 1 252.402 2.208 20 0 CEADMP COc1ccc(F)c(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925721920 628589866 /nfs/dbraw/zinc/58/98/66/628589866.db2.gz RLWWWEZSCDWVER-ZIAGYGMSSA-N 2 1 264.344 2.194 20 0 CEADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902446840 634670584 /nfs/dbraw/zinc/67/05/84/634670584.db2.gz VLCCCCLIITYQCD-SMDDNHRTSA-N 2 1 250.361 2.344 20 0 CEADMP Nc1ccnc2c1CN(CCOc1ccc(F)cc1)CC2 ZINC000931512328 628651224 /nfs/dbraw/zinc/65/12/24/628651224.db2.gz NJGXMBALENUKAO-UHFFFAOYSA-N 2 1 287.338 2.240 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000925729098 628657002 /nfs/dbraw/zinc/65/70/02/628657002.db2.gz IEGMZFBKRGUKQC-NJZAAPMLSA-N 2 1 282.815 2.146 20 0 CEADMP Cn1cc[nH+]c1[C@H]1CCCN(c2cc(N)[nH+]cc2Cl)C1 ZINC000893532715 628686602 /nfs/dbraw/zinc/68/66/02/628686602.db2.gz WVZLDDCHSBNBJF-JTQLQIEISA-N 2 1 291.786 2.435 20 0 CEADMP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)C2 ZINC000902467650 634685027 /nfs/dbraw/zinc/68/50/27/634685027.db2.gz QKXYWKNSUFDHFC-VVLHAWIVSA-N 2 1 256.393 2.417 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C1(Br)CC1 ZINC000925806024 628856891 /nfs/dbraw/zinc/85/68/91/628856891.db2.gz NTMULVWJEDHROK-ZJUUUORDSA-N 2 1 284.201 2.104 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000261527703 628921784 /nfs/dbraw/zinc/92/17/84/628921784.db2.gz GDWZKUZEAWDONN-RKDXNWHRSA-N 2 1 257.175 2.274 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000925834417 628930346 /nfs/dbraw/zinc/93/03/46/628930346.db2.gz HBBMQSWEUCWZRL-XQQFMLRXSA-N 2 1 293.377 2.133 20 0 CEADMP C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1c[nH+]ccc1N ZINC000925837889 628935827 /nfs/dbraw/zinc/93/58/27/628935827.db2.gz TZEOTFOIHIBPAL-JOYOIKCWSA-N 2 1 290.333 2.027 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261573641 628939727 /nfs/dbraw/zinc/93/97/27/628939727.db2.gz VYFBKFHVRMWKCU-JJXSEGSLSA-N 2 1 267.461 2.227 20 0 CEADMP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000261610924 628947683 /nfs/dbraw/zinc/94/76/83/628947683.db2.gz DXXOJAJXNMZWHW-ARFHVFGLSA-N 2 1 293.455 2.027 20 0 CEADMP FCC[C@@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925846702 628949826 /nfs/dbraw/zinc/94/98/26/628949826.db2.gz OLTSZIMDDISEAA-HOTGVXAUSA-N 2 1 285.451 2.180 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH2+]CCCCC[NH+]2CCNCC2)[C@@H]1C ZINC000925846880 628950861 /nfs/dbraw/zinc/95/08/61/628950861.db2.gz YEPQFJKBBXRLRN-BRWVUGGUSA-N 2 1 281.488 2.476 20 0 CEADMP CC[C@@H](C)[C@@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925848720 628953623 /nfs/dbraw/zinc/95/36/23/628953623.db2.gz JJKULHDDAQBVSS-HUUCEWRRSA-N 2 1 255.450 2.086 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000925874558 628974354 /nfs/dbraw/zinc/97/43/54/628974354.db2.gz KDUGVVRHYFGEDV-GJZGRUSLSA-N 2 1 260.381 2.371 20 0 CEADMP Cc1ncccc1CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000902512680 634698845 /nfs/dbraw/zinc/69/88/45/634698845.db2.gz IUGOFJVCWNULMF-GFCCVEGCSA-N 2 1 256.353 2.091 20 0 CEADMP Cn1ncc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C1CC1 ZINC000894037518 629096475 /nfs/dbraw/zinc/09/64/75/629096475.db2.gz OQGLBHOTIQRIJX-OAHLLOKOSA-N 2 1 276.428 2.214 20 0 CEADMP Cn1ncc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C1CC1 ZINC000894037518 629096477 /nfs/dbraw/zinc/09/64/77/629096477.db2.gz OQGLBHOTIQRIJX-OAHLLOKOSA-N 2 1 276.428 2.214 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CCCCCC[NH3+] ZINC000237078142 629186967 /nfs/dbraw/zinc/18/69/67/629186967.db2.gz QARDLSDPYVGDGM-HNNXBMFYSA-N 2 1 283.460 2.228 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc[nH]2)C1 ZINC000894180860 629194519 /nfs/dbraw/zinc/19/45/19/629194519.db2.gz SFOYKBAGCLXBHK-ZDUSSCGKSA-N 2 1 250.390 2.011 20 0 CEADMP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2c[nH]cn2)C1 ZINC000894180860 629194522 /nfs/dbraw/zinc/19/45/22/629194522.db2.gz SFOYKBAGCLXBHK-ZDUSSCGKSA-N 2 1 250.390 2.011 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2c[nH]cn2)C1 ZINC000894180860 629194525 /nfs/dbraw/zinc/19/45/25/629194525.db2.gz SFOYKBAGCLXBHK-ZDUSSCGKSA-N 2 1 250.390 2.011 20 0 CEADMP Cc1cc(Cl)ccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261802860 629247623 /nfs/dbraw/zinc/24/76/23/629247623.db2.gz RNOAECRPONOCPP-INIZCTEOSA-N 2 1 293.842 2.128 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000894242156 629248563 /nfs/dbraw/zinc/24/85/63/629248563.db2.gz TYAGVXGXCVKMDX-UONOGXRCSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@H+]1CCC[C@]2(CCN(CCCOC(F)(F)F)C2)C1 ZINC000878653114 629251453 /nfs/dbraw/zinc/25/14/53/629251453.db2.gz YSQAKENINFIMSH-LBPRGKRZSA-N 2 1 280.334 2.331 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCOC(F)(F)F)C2)C1 ZINC000878653114 629251465 /nfs/dbraw/zinc/25/14/65/629251465.db2.gz YSQAKENINFIMSH-LBPRGKRZSA-N 2 1 280.334 2.331 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCOC(F)(F)F)C2)C1 ZINC000878653114 629251470 /nfs/dbraw/zinc/25/14/70/629251470.db2.gz YSQAKENINFIMSH-LBPRGKRZSA-N 2 1 280.334 2.331 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000924952607 629289953 /nfs/dbraw/zinc/28/99/53/629289953.db2.gz NSQRSRNBAHQLNA-RYUDHWBXSA-N 2 1 274.368 2.279 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@H](C2CC2)C(C)(C)C)CC1 ZINC000924967524 629307094 /nfs/dbraw/zinc/30/70/94/629307094.db2.gz XXWDHBKKVFENFW-MRXNPFEDSA-N 2 1 281.488 2.428 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000894375733 629406888 /nfs/dbraw/zinc/40/68/88/629406888.db2.gz NGDHVLQNYODEPH-ZACQAIPSSA-N 2 1 279.472 2.040 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)CS1 ZINC000894377610 629409158 /nfs/dbraw/zinc/40/91/58/629409158.db2.gz CINPXXGZVWPJOO-HOTGVXAUSA-N 2 1 299.528 2.134 20 0 CEADMP CN(C)CC[N@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000894448505 629467233 /nfs/dbraw/zinc/46/72/33/629467233.db2.gz NYILIJPNBQABAC-UHFFFAOYSA-N 2 1 289.467 2.392 20 0 CEADMP C[NH+](C)CCC[N@H+](C)CCc1ccc(F)c(F)c1 ZINC000894450786 629469723 /nfs/dbraw/zinc/46/97/23/629469723.db2.gz ZWJSJQGLHADJGJ-UHFFFAOYSA-N 2 1 256.340 2.391 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)CCc1ccc(F)c(F)c1 ZINC000894450786 629469724 /nfs/dbraw/zinc/46/97/24/629469724.db2.gz ZWJSJQGLHADJGJ-UHFFFAOYSA-N 2 1 256.340 2.391 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cnc1F ZINC000894455208 629472517 /nfs/dbraw/zinc/47/25/17/629472517.db2.gz HMYJYKJEOCNJRQ-CYBMUJFWSA-N 2 1 265.376 2.349 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cnc1F ZINC000894455208 629472526 /nfs/dbraw/zinc/47/25/26/629472526.db2.gz HMYJYKJEOCNJRQ-CYBMUJFWSA-N 2 1 265.376 2.349 20 0 CEADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnc1F ZINC000894742495 629619108 /nfs/dbraw/zinc/61/91/08/629619108.db2.gz GZALSWGMJQBPLQ-AGUYFDCRSA-N 2 1 263.360 2.244 20 0 CEADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnc1F ZINC000894742495 629619109 /nfs/dbraw/zinc/61/91/09/629619109.db2.gz GZALSWGMJQBPLQ-AGUYFDCRSA-N 2 1 263.360 2.244 20 0 CEADMP C[N@@H+](Cc1csc(C(C)(C)O)n1)CC1CC[NH+](C)CC1 ZINC000894767831 629624253 /nfs/dbraw/zinc/62/42/53/629624253.db2.gz MCEOGSJIVRFABO-UHFFFAOYSA-N 2 1 297.468 2.144 20 0 CEADMP C[N@H+](Cc1csc(C(C)(C)O)n1)CC1CC[NH+](C)CC1 ZINC000894767831 629624255 /nfs/dbraw/zinc/62/42/55/629624255.db2.gz MCEOGSJIVRFABO-UHFFFAOYSA-N 2 1 297.468 2.144 20 0 CEADMP Cc1coc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000894769400 629624978 /nfs/dbraw/zinc/62/49/78/629624978.db2.gz HAWUWWOIUVXAEX-MRXNPFEDSA-N 2 1 291.439 2.188 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1nnc(C2CC2)s1)C1CC1 ZINC000894806628 629651912 /nfs/dbraw/zinc/65/19/12/629651912.db2.gz HDQIQYUSOSQBSJ-UHFFFAOYSA-N 2 1 280.441 2.380 20 0 CEADMP CCCC[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925096506 629737517 /nfs/dbraw/zinc/73/75/17/629737517.db2.gz OCSFJLQEUULRGL-XYTVBORESA-N 2 1 298.471 2.423 20 0 CEADMP Cc1csc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)n1 ZINC000796263168 629824983 /nfs/dbraw/zinc/82/49/83/629824983.db2.gz HORJPCIUXNITNF-UHFFFAOYSA-N 2 1 296.465 2.302 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000262145356 629935219 /nfs/dbraw/zinc/93/52/19/629935219.db2.gz QIOAYTVUOXDQLP-RDJZCZTQSA-N 2 1 290.407 2.025 20 0 CEADMP O=c1cc[nH]c2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)ccc12 ZINC000895205281 630032594 /nfs/dbraw/zinc/03/25/94/630032594.db2.gz POOUWKJMNFVSLT-GJZGRUSLSA-N 2 1 297.402 2.245 20 0 CEADMP O=c1cc[nH]c2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)ccc12 ZINC000895205281 630032596 /nfs/dbraw/zinc/03/25/96/630032596.db2.gz POOUWKJMNFVSLT-GJZGRUSLSA-N 2 1 297.402 2.245 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOC2CCC2)[C@@H]2CCC[C@@H]21 ZINC000796887421 630053916 /nfs/dbraw/zinc/05/39/16/630053916.db2.gz IDUUBMWPVIZMSE-KKUMJFAQSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1cccn2c(C[NH2+]CC[C@@H](C)[NH+](C)C)cnc12 ZINC000895298212 630087721 /nfs/dbraw/zinc/08/77/21/630087721.db2.gz VHTIFOJEWREEQY-CYBMUJFWSA-N 2 1 260.385 2.073 20 0 CEADMP CCn1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cn1 ZINC000895377553 630148840 /nfs/dbraw/zinc/14/88/40/630148840.db2.gz MBEKTKZOZHFPNZ-ZBFHGGJFSA-N 2 1 278.444 2.455 20 0 CEADMP CCn1cc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)cn1 ZINC000895377553 630148843 /nfs/dbraw/zinc/14/88/43/630148843.db2.gz MBEKTKZOZHFPNZ-ZBFHGGJFSA-N 2 1 278.444 2.455 20 0 CEADMP CC[C@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[NH+]1CCCC1 ZINC000902740839 634794921 /nfs/dbraw/zinc/79/49/21/634794921.db2.gz DPPVNHDCVRSLCI-UTQGOSHXSA-N 2 1 278.440 2.264 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H](OCc3ccccn3)C2)CC1 ZINC000895493207 630218477 /nfs/dbraw/zinc/21/84/77/630218477.db2.gz NGARNZAHERCKED-KRWDZBQOSA-N 2 1 289.423 2.014 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC000895509374 630228369 /nfs/dbraw/zinc/22/83/69/630228369.db2.gz QTLBVGXWECZZKL-DZGCQCFKSA-N 2 1 277.412 2.339 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1COc2ccccc2C1 ZINC000902727901 634797218 /nfs/dbraw/zinc/79/72/18/634797218.db2.gz GENJQOKNILJRPD-ZFWWWQNUSA-N 2 1 274.408 2.310 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1COc2ccccc2C1 ZINC000902727898 634797279 /nfs/dbraw/zinc/79/72/79/634797279.db2.gz GENJQOKNILJRPD-DZGCQCFKSA-N 2 1 274.408 2.310 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(O)c2)CCN1c1cc[nH+]cc1 ZINC000895558253 630248925 /nfs/dbraw/zinc/24/89/25/630248925.db2.gz URTUJZYCAJEGBF-CQSZACIVSA-N 2 1 283.375 2.498 20 0 CEADMP C[C@@H]1[C@@H](Nc2ccncc2C(F)(F)F)CC[N@H+]1C ZINC000895734450 630324545 /nfs/dbraw/zinc/32/45/45/630324545.db2.gz MUHRBXAQBDTOGO-SCZZXKLOSA-N 2 1 259.275 2.027 20 0 CEADMP C[C@@H]1[C@@H](Nc2cc[nH+]cc2C(F)(F)F)CC[N@@H+]1C ZINC000895734450 630324549 /nfs/dbraw/zinc/32/45/49/630324549.db2.gz MUHRBXAQBDTOGO-SCZZXKLOSA-N 2 1 259.275 2.027 20 0 CEADMP C[C@@H]1[C@@H](Nc2cc[nH+]cc2C(F)(F)F)CC[N@H+]1C ZINC000895734450 630324554 /nfs/dbraw/zinc/32/45/54/630324554.db2.gz MUHRBXAQBDTOGO-SCZZXKLOSA-N 2 1 259.275 2.027 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cn(C)nn1 ZINC000902747750 634807755 /nfs/dbraw/zinc/80/77/55/634807755.db2.gz IAXVUHWICSMOTQ-KBPBESRZSA-N 2 1 279.432 2.120 20 0 CEADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000896747006 630657646 /nfs/dbraw/zinc/65/76/46/630657646.db2.gz YDBJZHYFICDHDU-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP CCO[C@H](C[NH2+]CC(C)(C)Oc1ccccc1)C[NH+](C)C ZINC000896880764 630699758 /nfs/dbraw/zinc/69/97/58/630699758.db2.gz ZBAABCCNSXKJGZ-MRXNPFEDSA-N 2 1 294.439 2.400 20 0 CEADMP CN(C[C@H]([NH3+])CCC(C)(C)C)C1CCC([NH3+])CC1 ZINC000904300964 635553739 /nfs/dbraw/zinc/55/37/39/635553739.db2.gz CNANYJMYPRFYRQ-ROKHWSDSSA-N 2 1 255.450 2.342 20 0 CEADMP C[N@@H+](CCOc1ccccc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904301048 635553856 /nfs/dbraw/zinc/55/38/56/635553856.db2.gz FFZMHOWOSAREPD-MRXNPFEDSA-N 2 1 262.397 2.387 20 0 CEADMP C1CC2(CCOCC2)[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000800477276 631128826 /nfs/dbraw/zinc/12/88/26/631128826.db2.gz UBQMRXYEGKWRIX-RBSFLKMASA-N 2 1 264.413 2.162 20 0 CEADMP CC(C)C[N@@H+](C)C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000985648772 631167117 /nfs/dbraw/zinc/16/71/17/631167117.db2.gz YXWPPAOAAGXQIA-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000985648772 631167119 /nfs/dbraw/zinc/16/71/19/631167119.db2.gz YXWPPAOAAGXQIA-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000985648772 631167122 /nfs/dbraw/zinc/16/71/22/631167122.db2.gz YXWPPAOAAGXQIA-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000985687012 631173398 /nfs/dbraw/zinc/17/33/98/631173398.db2.gz RGXJXHDMEFEMSS-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000985751428 631179892 /nfs/dbraw/zinc/17/98/92/631179892.db2.gz LRIURAXPLSZHLQ-GOEBONIOSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](CC)CCOC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000803854856 631617393 /nfs/dbraw/zinc/61/73/93/631617393.db2.gz BLHMACHKQHHOBR-AWEZNQCLSA-N 2 1 270.417 2.136 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000067700757 631669183 /nfs/dbraw/zinc/66/91/83/631669183.db2.gz AEHSJXQCLICRTD-HNNXBMFYSA-N 2 1 294.443 2.064 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCN1C(C)(C)C ZINC000897608092 631815223 /nfs/dbraw/zinc/81/52/23/631815223.db2.gz KIYFJHKFRINJJW-KGLIPLIRSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000897608092 631815226 /nfs/dbraw/zinc/81/52/26/631815226.db2.gz KIYFJHKFRINJJW-KGLIPLIRSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000897608092 631815231 /nfs/dbraw/zinc/81/52/31/631815231.db2.gz KIYFJHKFRINJJW-KGLIPLIRSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897608092 631815239 /nfs/dbraw/zinc/81/52/39/631815239.db2.gz KIYFJHKFRINJJW-KGLIPLIRSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897608092 631815244 /nfs/dbraw/zinc/81/52/44/631815244.db2.gz KIYFJHKFRINJJW-KGLIPLIRSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@]3(C)CCCS3)C[C@]2(C)C1 ZINC000897620673 631832702 /nfs/dbraw/zinc/83/27/02/631832702.db2.gz VBEOTIFFWMLIEF-RDBSUJKOSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@]3(C)CCCS3)C[C@]2(C)C1 ZINC000897620673 631832709 /nfs/dbraw/zinc/83/27/09/631832709.db2.gz VBEOTIFFWMLIEF-RDBSUJKOSA-N 2 1 254.443 2.156 20 0 CEADMP C[C@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897969258 631995485 /nfs/dbraw/zinc/99/54/85/631995485.db2.gz HUUQPMXVLAMUSE-BMFZPTHFSA-N 2 1 259.397 2.229 20 0 CEADMP CN(CCC[N@@H+](C)CCc1cccs1)CC[NH+](C)C ZINC000808781418 632016071 /nfs/dbraw/zinc/01/60/71/632016071.db2.gz FKEJACFXUSOBJL-UHFFFAOYSA-N 2 1 283.485 2.106 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@]23C[C@H]2COC32CCC2)CC[N@H+]1C ZINC000898061291 632036923 /nfs/dbraw/zinc/03/69/23/632036923.db2.gz BWMBJFOGAKIZID-CBBWQLFWSA-N 2 1 264.413 2.018 20 0 CEADMP Cn1cncc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739004 632135404 /nfs/dbraw/zinc/13/54/04/632135404.db2.gz SWTGRHONKMQJCB-UHFFFAOYSA-N 2 1 272.396 2.114 20 0 CEADMP Cn1cncc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739004 632135407 /nfs/dbraw/zinc/13/54/07/632135407.db2.gz SWTGRHONKMQJCB-UHFFFAOYSA-N 2 1 272.396 2.114 20 0 CEADMP C[NH+](C)C1(C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000898298492 632157462 /nfs/dbraw/zinc/15/74/62/632157462.db2.gz NEWDWWMYSJMLCF-UHFFFAOYSA-N 2 1 296.374 2.280 20 0 CEADMP COC(=O)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC1CCCC1 ZINC000898344246 632174072 /nfs/dbraw/zinc/17/40/72/632174072.db2.gz FQZVRYGZPCUINP-CWRNSKLLSA-N 2 1 296.455 2.428 20 0 CEADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000810125033 632182524 /nfs/dbraw/zinc/18/25/24/632182524.db2.gz MNDNLRHUYZYKBY-VGWMRTNUSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000810125033 632182531 /nfs/dbraw/zinc/18/25/31/632182531.db2.gz MNDNLRHUYZYKBY-VGWMRTNUSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000810125033 632182540 /nfs/dbraw/zinc/18/25/40/632182540.db2.gz MNDNLRHUYZYKBY-VGWMRTNUSA-N 2 1 295.471 2.096 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)C[NH+](C)C ZINC000926958048 632384217 /nfs/dbraw/zinc/38/42/17/632384217.db2.gz DNBSOKIIDRQYJH-LXTVHRRPSA-N 2 1 256.434 2.367 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c2ncnn21 ZINC000924684161 632417197 /nfs/dbraw/zinc/41/71/97/632417197.db2.gz CHSSYRCRNSTWFS-RBSFLKMASA-N 2 1 291.443 2.386 20 0 CEADMP C[C@H](CN[C@@H]1CCC[N@H+]2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000924715811 632458242 /nfs/dbraw/zinc/45/82/42/632458242.db2.gz MZWHIBQNMXIEQK-BRWVUGGUSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCN2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000924715811 632458245 /nfs/dbraw/zinc/45/82/45/632458245.db2.gz MZWHIBQNMXIEQK-BRWVUGGUSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H](Cn2ccnc2)C(C)(C)C)c2ncnn21 ZINC000924731328 632479883 /nfs/dbraw/zinc/47/98/83/632479883.db2.gz UAZBHFHPQJSNFX-AGIUHOORSA-N 2 1 288.399 2.185 20 0 CEADMP C[C@H](CNC(=[NH2+])N[C@@H](C)C1CC1)[N@H+]1CCCC[C@H]1C ZINC000899266944 632761947 /nfs/dbraw/zinc/76/19/47/632761947.db2.gz ZNJKEHVVYBVEME-UPJWGTAASA-N 2 1 266.433 2.162 20 0 CEADMP C[C@@H](NC(=[NH2+])NC[C@@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000899264088 632762081 /nfs/dbraw/zinc/76/20/81/632762081.db2.gz YVVDXSHGCGZNQG-CZUORRHYSA-N 2 1 288.439 2.072 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H](C)C2CC2)C1 ZINC000899271525 632768205 /nfs/dbraw/zinc/76/82/05/632768205.db2.gz ZHUROCWSRIQHKK-UONOGXRCSA-N 2 1 280.460 2.267 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnn(C)c1Cl ZINC000815123302 632963873 /nfs/dbraw/zinc/96/38/73/632963873.db2.gz AQEFHCUIXJXADA-SNVBAGLBSA-N 2 1 281.791 2.004 20 0 CEADMP Cc1ccccc1C(C)(C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000815148654 632972644 /nfs/dbraw/zinc/97/26/44/632972644.db2.gz CVVXJUFBCQSHCI-HNNXBMFYSA-N 2 1 276.424 2.276 20 0 CEADMP C[NH2+][C@@H](CNc1cc(NC2CC2)[nH+]cn1)Cc1ccccc1 ZINC000900020400 633184723 /nfs/dbraw/zinc/18/47/23/633184723.db2.gz NHTXUJPGWHUPCQ-OAHLLOKOSA-N 2 1 297.406 2.294 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817281826 633618186 /nfs/dbraw/zinc/61/81/86/633618186.db2.gz QDRQMAXUYUUPTC-QWHCGFSZSA-N 2 1 294.361 2.108 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817281826 633618187 /nfs/dbraw/zinc/61/81/87/633618187.db2.gz QDRQMAXUYUUPTC-QWHCGFSZSA-N 2 1 294.361 2.108 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)o1 ZINC000817911596 633770113 /nfs/dbraw/zinc/77/01/13/633770113.db2.gz CUMFCQLETYRGTF-QLFBSQMISA-N 2 1 272.348 2.356 20 0 CEADMP C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1c[nH+]ccc1N ZINC000817913345 633772230 /nfs/dbraw/zinc/77/22/30/633772230.db2.gz NXTYDDLNQUVINJ-WBMJQRKESA-N 2 1 271.364 2.052 20 0 CEADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817914206 633773181 /nfs/dbraw/zinc/77/31/81/633773181.db2.gz UZQJXGWXHMJLRY-DAXOMENPSA-N 2 1 259.397 2.205 20 0 CEADMP Cc1ncc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)s1 ZINC000817916220 633774984 /nfs/dbraw/zinc/77/49/84/633774984.db2.gz VQTXMGICCAIFPG-GWCFXTLKSA-N 2 1 253.415 2.114 20 0 CEADMP C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000817936370 633788125 /nfs/dbraw/zinc/78/81/25/633788125.db2.gz JWVPHRKXUHHQHB-GUBZILKMSA-N 2 1 251.201 2.300 20 0 CEADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000817964936 633806769 /nfs/dbraw/zinc/80/67/69/633806769.db2.gz JUJHUNPCUMPOTF-NHYWBVRUSA-N 2 1 289.379 2.031 20 0 CEADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000817965757 633808570 /nfs/dbraw/zinc/80/85/70/633808570.db2.gz UXWKHODTFHYKBC-LRDDRELGSA-N 2 1 287.407 2.201 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000817978508 633821984 /nfs/dbraw/zinc/82/19/84/633821984.db2.gz BXFVPLHOTFGEMD-TZMCWYRMSA-N 2 1 275.396 2.201 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)[C@H](C)[NH3+] ZINC000817979993 633822686 /nfs/dbraw/zinc/82/26/86/633822686.db2.gz QVHCTYQGKLPRIK-XQQFMLRXSA-N 2 1 291.395 2.420 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc2c(c1)CCO2 ZINC000817981537 633825047 /nfs/dbraw/zinc/82/50/47/633825047.db2.gz SZICGTCICSXXNI-HZPDHXFCSA-N 2 1 290.407 2.041 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)c1ccccc1C ZINC000818968219 634021439 /nfs/dbraw/zinc/02/14/39/634021439.db2.gz NWIZTBPYAONZBY-INIZCTEOSA-N 2 1 273.380 2.213 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000818968207 634021697 /nfs/dbraw/zinc/02/16/97/634021697.db2.gz NQGJCIINPIHCLI-HNNXBMFYSA-N 2 1 277.343 2.044 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000818988229 634030092 /nfs/dbraw/zinc/03/00/92/634030092.db2.gz GLRZASNIFQMVRF-CQSZACIVSA-N 2 1 279.771 2.168 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000818989850 634031287 /nfs/dbraw/zinc/03/12/87/634031287.db2.gz VHLGUEVIFGYREX-CQSZACIVSA-N 2 1 297.761 2.307 20 0 CEADMP CCCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000819042942 634049986 /nfs/dbraw/zinc/04/99/86/634049986.db2.gz OFUYJULETDCFSJ-MRXNPFEDSA-N 2 1 295.402 2.108 20 0 CEADMP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cn2)CC1 ZINC000819042939 634050323 /nfs/dbraw/zinc/05/03/23/634050323.db2.gz OFUYJULETDCFSJ-INIZCTEOSA-N 2 1 295.402 2.108 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000819152486 634086750 /nfs/dbraw/zinc/08/67/50/634086750.db2.gz VEIRDZWPCVVVJE-HNNXBMFYSA-N 2 1 268.445 2.249 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)C1=CC[N@@H+](C)CC1 ZINC000819220070 634108386 /nfs/dbraw/zinc/10/83/86/634108386.db2.gz JZMWGTIJJINYHT-WBMJQRKESA-N 2 1 278.371 2.099 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902791043 634834860 /nfs/dbraw/zinc/83/48/60/634834860.db2.gz SJZRHCFEYCFXND-FOLNQXHWSA-N 2 1 266.429 2.120 20 0 CEADMP C[C@@H]1CN(C(=O)CC[NH2+]C(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC000820309131 634376766 /nfs/dbraw/zinc/37/67/66/634376766.db2.gz RYMLDXQDGVRUPE-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+](CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C1CCCC1 ZINC000902793891 634836786 /nfs/dbraw/zinc/83/67/86/634836786.db2.gz OHLRUONVUGMQDO-FIDHJVLJSA-N 2 1 278.440 2.264 20 0 CEADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C1CCCC1 ZINC000902793891 634836792 /nfs/dbraw/zinc/83/67/92/634836792.db2.gz OHLRUONVUGMQDO-FIDHJVLJSA-N 2 1 278.440 2.264 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903077119 634959057 /nfs/dbraw/zinc/95/90/57/634959057.db2.gz YCRPQKPWTGTCQI-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP CSC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903097250 634977685 /nfs/dbraw/zinc/97/76/85/634977685.db2.gz DXTVURDJCXFTQY-CRMUJIHISA-N 2 1 254.443 2.485 20 0 CEADMP OC[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903189987 635013922 /nfs/dbraw/zinc/01/39/22/635013922.db2.gz MKZCOMJAPMINER-AEIJQKHESA-N 2 1 278.440 2.285 20 0 CEADMP C[N@H+]1CCCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903206882 635016339 /nfs/dbraw/zinc/01/63/39/635016339.db2.gz MTKAQWOCDFOTON-DUZACMNTSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903206882 635016341 /nfs/dbraw/zinc/01/63/41/635016341.db2.gz MTKAQWOCDFOTON-DUZACMNTSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903206882 635016344 /nfs/dbraw/zinc/01/63/44/635016344.db2.gz MTKAQWOCDFOTON-DUZACMNTSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903206882 635016345 /nfs/dbraw/zinc/01/63/45/635016345.db2.gz MTKAQWOCDFOTON-DUZACMNTSA-N 3 1 291.483 2.466 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903206882 635016348 /nfs/dbraw/zinc/01/63/48/635016348.db2.gz MTKAQWOCDFOTON-DUZACMNTSA-N 3 1 291.483 2.466 20 0 CEADMP C[NH+]1CCCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903206882 635016350 /nfs/dbraw/zinc/01/63/50/635016350.db2.gz MTKAQWOCDFOTON-DUZACMNTSA-N 3 1 291.483 2.466 20 0 CEADMP C[NH+]1CCCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903206882 635016353 /nfs/dbraw/zinc/01/63/53/635016353.db2.gz MTKAQWOCDFOTON-DUZACMNTSA-N 3 1 291.483 2.466 20 0 CEADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCOCC1)c1cccnc1 ZINC000903380340 635093790 /nfs/dbraw/zinc/09/37/90/635093790.db2.gz MHTNZWQUIAIZNW-HOTGVXAUSA-N 2 1 277.412 2.233 20 0 CEADMP C[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000903400033 635108898 /nfs/dbraw/zinc/10/88/98/635108898.db2.gz KUKBFANASNQRLU-CRAIPNDOSA-N 2 1 288.435 2.318 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@H](c3ccccc3)C2)C1 ZINC000903430321 635113860 /nfs/dbraw/zinc/11/38/60/635113860.db2.gz SYHVJJZINFZDEM-IMJJTQAJSA-N 2 1 260.381 2.187 20 0 CEADMP CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903431539 635114911 /nfs/dbraw/zinc/11/49/11/635114911.db2.gz ZQIDEKVNHTWPAH-HIFRSBDPSA-N 2 1 262.397 2.373 20 0 CEADMP C1CC1[C@@H]1COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903436341 635116683 /nfs/dbraw/zinc/11/66/83/635116683.db2.gz IRHOKURJHMDXMV-DQOFTXQYSA-N 2 1 276.424 2.159 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000903439114 635117504 /nfs/dbraw/zinc/11/75/04/635117504.db2.gz DPPYATSVJANBPK-RFGFWPKPSA-N 2 1 254.443 2.202 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000903439114 635117507 /nfs/dbraw/zinc/11/75/07/635117507.db2.gz DPPYATSVJANBPK-RFGFWPKPSA-N 2 1 254.443 2.202 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)C1 ZINC000903463711 635127115 /nfs/dbraw/zinc/12/71/15/635127115.db2.gz JRBOLEXKRSNEPL-JONQDZQNSA-N 2 1 266.429 2.395 20 0 CEADMP C[N@H+]1CCN(C[C@@H]2CC[C@H]([NH3+])C2)C2(CCCCC2)C1 ZINC000903445949 635131607 /nfs/dbraw/zinc/13/16/07/635131607.db2.gz ORCIRFIZFZEYDQ-CABCVRRESA-N 2 1 265.445 2.064 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000903450533 635134772 /nfs/dbraw/zinc/13/47/72/635134772.db2.gz IJYCGCBUENUCBL-LYYZXLFJSA-N 2 1 294.439 2.181 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(C)nn1 ZINC000903453531 635136632 /nfs/dbraw/zinc/13/66/32/635136632.db2.gz AMQXNQGRTYLONS-HOCLYGCPSA-N 2 1 274.412 2.057 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(C)nn1 ZINC000903453531 635136638 /nfs/dbraw/zinc/13/66/38/635136638.db2.gz AMQXNQGRTYLONS-HOCLYGCPSA-N 2 1 274.412 2.057 20 0 CEADMP C[C@H](c1ncccn1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000903453582 635137116 /nfs/dbraw/zinc/13/71/16/635137116.db2.gz CNTOGAQNJJHKIU-RBSFLKMASA-N 2 1 274.412 2.249 20 0 CEADMP c1ccc2c(c1)C[C@@H](C[NH2+][C@H]1CC[NH2+]C13CCCC3)O2 ZINC000903483700 635151090 /nfs/dbraw/zinc/15/10/90/635151090.db2.gz KJEXJUKLRSXGEM-HOCLYGCPSA-N 2 1 272.392 2.254 20 0 CEADMP Cn1c(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)nc2ccccc21 ZINC000903484806 635152159 /nfs/dbraw/zinc/15/21/59/635152159.db2.gz VWOOQRWEQHYLDL-INIZCTEOSA-N 2 1 298.434 2.380 20 0 CEADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903500105 635154112 /nfs/dbraw/zinc/15/41/12/635154112.db2.gz SMBQZQIMDRVNJU-QLFBSQMISA-N 2 1 295.471 2.083 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496422 635157657 /nfs/dbraw/zinc/15/76/57/635157657.db2.gz MZXLZIRLNLKETO-OWCLPIDISA-N 2 1 297.487 2.378 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903718047 635233448 /nfs/dbraw/zinc/23/34/48/635233448.db2.gz YQFCNHCVYVTHLL-QLFBSQMISA-N 2 1 266.429 2.123 20 0 CEADMP C[N@H+](Cc1ccccc1F)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903719184 635233787 /nfs/dbraw/zinc/23/37/87/635233787.db2.gz WORSWVMIJGCVMM-OAHLLOKOSA-N 2 1 292.398 2.416 20 0 CEADMP C[N@H+](C[C@@H]1COc2ccccc2O1)C[C@H]1CCCC[NH2+]C1 ZINC000903718184 635233857 /nfs/dbraw/zinc/23/38/57/635233857.db2.gz HWNNSOPQCWOYQG-LSDHHAIUSA-N 2 1 290.407 2.148 20 0 CEADMP C[N@@H+](C[C@@H]1COc2ccccc2O1)C[C@H]1CCCC[NH2+]C1 ZINC000903718184 635233861 /nfs/dbraw/zinc/23/38/61/635233861.db2.gz HWNNSOPQCWOYQG-LSDHHAIUSA-N 2 1 290.407 2.148 20 0 CEADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H]1C1CCCC1 ZINC000903722517 635235905 /nfs/dbraw/zinc/23/59/05/635235905.db2.gz LYOAQEHFKMDCNP-ULQDDVLXSA-N 2 1 278.440 2.410 20 0 CEADMP C[N@@H+](CCc1ccccc1F)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723878 635237474 /nfs/dbraw/zinc/23/74/74/635237474.db2.gz YXCYSKYSOUGLKR-NVXWUHKLSA-N 2 1 292.398 2.069 20 0 CEADMP c1csc(C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)c1 ZINC000903723924 635237618 /nfs/dbraw/zinc/23/76/18/635237618.db2.gz JMWFTIBYOUNTOY-GDBMZVCRSA-N 2 1 292.448 2.481 20 0 CEADMP C[C@H]([N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C(C)(C)C ZINC000903723625 635237679 /nfs/dbraw/zinc/23/76/79/635237679.db2.gz XCAKDGRORCJVKL-GZBFAFLISA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903728395 635239411 /nfs/dbraw/zinc/23/94/11/635239411.db2.gz AJEDPFXJRXNPTP-JYJNAYRXSA-N 2 1 266.429 2.123 20 0 CEADMP CC(C)[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729681 635240464 /nfs/dbraw/zinc/24/04/64/635240464.db2.gz QMMDYOTXFKNVDM-HRCADAONSA-N 2 1 266.429 2.266 20 0 CEADMP c1cc2c(s1)CCC[N@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903728596 635240544 /nfs/dbraw/zinc/24/05/44/635240544.db2.gz CICBPDLKBQLDPA-GOEBONIOSA-N 2 1 292.448 2.265 20 0 CEADMP Cc1cccc2c1CC[N@@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903728991 635241008 /nfs/dbraw/zinc/24/10/08/635241008.db2.gz IYUDUTPHHSMSQX-SJLPKXTDSA-N 2 1 286.419 2.122 20 0 CEADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903766083 635258713 /nfs/dbraw/zinc/25/87/13/635258713.db2.gz OEBGCWQRNWRXMF-AQBKWJQSSA-N 2 1 264.413 2.018 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903778373 635265900 /nfs/dbraw/zinc/26/59/00/635265900.db2.gz MCCRWEOCZFHBOU-GOEBONIOSA-N 3 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903778373 635265906 /nfs/dbraw/zinc/26/59/06/635265906.db2.gz MCCRWEOCZFHBOU-GOEBONIOSA-N 3 1 267.461 2.073 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC[C@@H]1C[NH3+] ZINC000903788741 635270890 /nfs/dbraw/zinc/27/08/90/635270890.db2.gz PMTOTEWEUOIBAP-NDBYEHHHSA-N 2 1 294.361 2.403 20 0 CEADMP c1ccc(CCC[N@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903814724 635272839 /nfs/dbraw/zinc/27/28/39/635272839.db2.gz HTYOJVRVYDWOKS-UHFFFAOYSA-N 2 1 288.435 2.464 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCOCC(F)F)CCC1 ZINC000903810304 635285092 /nfs/dbraw/zinc/28/50/92/635285092.db2.gz AHQZTMREEQZGSF-GFCCVEGCSA-N 2 1 276.371 2.252 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CC[C@H]2CCC[NH2+]C2)CCC1 ZINC000903811582 635286467 /nfs/dbraw/zinc/28/64/67/635286467.db2.gz NLPDHOIPQJFEDR-HZPDHXFCSA-N 3 1 279.472 2.360 20 0 CEADMP NCC1([C@H]2CCCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)CCC1 ZINC000903811582 635286470 /nfs/dbraw/zinc/28/64/70/635286470.db2.gz NLPDHOIPQJFEDR-HZPDHXFCSA-N 2 1 279.472 2.360 20 0 CEADMP NCC1([C@H]2CCCC[N@H+]2CC[C@H]2CCC[NH2+]C2)CCC1 ZINC000903811582 635286476 /nfs/dbraw/zinc/28/64/76/635286476.db2.gz NLPDHOIPQJFEDR-HZPDHXFCSA-N 2 1 279.472 2.360 20 0 CEADMP COc1cccc(CCC[N@@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903868257 635301392 /nfs/dbraw/zinc/30/13/92/635301392.db2.gz XPJFELZWNQVNNC-KRWDZBQOSA-N 2 1 274.408 2.456 20 0 CEADMP COc1cccc(CCC[N@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903868257 635301397 /nfs/dbraw/zinc/30/13/97/635301397.db2.gz XPJFELZWNQVNNC-KRWDZBQOSA-N 2 1 274.408 2.456 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2Cc1ccc(-n2cccn2)cc1 ZINC000903857978 635309499 /nfs/dbraw/zinc/30/94/99/635309499.db2.gz WZBQOVPLPBYULP-WBVHZDCISA-N 2 1 282.391 2.186 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2Cc1ccc(-n2cccn2)cc1 ZINC000903857978 635309505 /nfs/dbraw/zinc/30/95/05/635309505.db2.gz WZBQOVPLPBYULP-WBVHZDCISA-N 2 1 282.391 2.186 20 0 CEADMP COC(=O)CC[N@@H+](CC(C)C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903885640 635327273 /nfs/dbraw/zinc/32/72/73/635327273.db2.gz NZQIYQCTFKGTOE-GOOCMWNKSA-N 2 1 282.428 2.038 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC3(CCCC3)C2)cnn1C ZINC000903892355 635328554 /nfs/dbraw/zinc/32/85/54/635328554.db2.gz HSLZMMIITOOBOL-OAHLLOKOSA-N 2 1 290.455 2.112 20 0 CEADMP CC[C@]1(CO)CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903914853 635329255 /nfs/dbraw/zinc/32/92/55/635329255.db2.gz LIBCMYFPJFWQON-UYTSQGDYSA-N 2 1 266.429 2.002 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCCC[C@H]2C)cnn1C ZINC000903893662 635330962 /nfs/dbraw/zinc/33/09/62/635330962.db2.gz XZJJTGFTGZFWOK-HIFRSBDPSA-N 2 1 278.444 2.110 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903909378 635342633 /nfs/dbraw/zinc/34/26/33/635342633.db2.gz UJBGSMBWAIZPQX-QGZVFWFLSA-N 3 1 287.451 2.248 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903909378 635342637 /nfs/dbraw/zinc/34/26/37/635342637.db2.gz UJBGSMBWAIZPQX-QGZVFWFLSA-N 3 1 287.451 2.248 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903909657 635344984 /nfs/dbraw/zinc/34/49/84/635344984.db2.gz WMSZJJRQFYEJIK-MQVJKMGUSA-N 3 1 277.456 2.077 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](C)C(C)(C)C2)cnn1C ZINC000903913912 635347105 /nfs/dbraw/zinc/34/71/05/635347105.db2.gz FOBRDHDEEINVLL-DZGCQCFKSA-N 2 1 292.471 2.214 20 0 CEADMP [NH3+]C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000903918461 635347210 /nfs/dbraw/zinc/34/72/10/635347210.db2.gz ZUUISHMPTKCPIS-WDVRLDOZSA-N 3 1 265.445 2.014 20 0 CEADMP CC[N@@H+]1CCCC[C@H]1CNCc1cccc2c1CC[NH2+]C2 ZINC000903923435 635351465 /nfs/dbraw/zinc/35/14/65/635351465.db2.gz UHQHQZPLOLEUPC-KRWDZBQOSA-N 2 1 287.451 2.296 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNCc1cccc2c1CC[NH2+]C2 ZINC000903923435 635351470 /nfs/dbraw/zinc/35/14/70/635351470.db2.gz UHQHQZPLOLEUPC-KRWDZBQOSA-N 2 1 287.451 2.296 20 0 CEADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903932580 635358410 /nfs/dbraw/zinc/35/84/10/635358410.db2.gz DZBHZKNVLRJYJW-MSEHENTLSA-N 3 1 299.462 2.252 20 0 CEADMP CC(C)C[C@@]1(CO)CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903916603 635364966 /nfs/dbraw/zinc/36/49/66/635364966.db2.gz UGUUSZPOEDGQJG-NPYXIHBLSA-N 2 1 280.456 2.390 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000903960149 635369615 /nfs/dbraw/zinc/36/96/15/635369615.db2.gz YBNJFKUKGYLQBV-KRWDZBQOSA-N 2 1 290.455 2.485 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000903953171 635386461 /nfs/dbraw/zinc/38/64/61/635386461.db2.gz BOUCJORECVFYNJ-PSAQHYCVSA-N 2 1 264.413 2.018 20 0 CEADMP CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955786 635389432 /nfs/dbraw/zinc/38/94/32/635389432.db2.gz YYABPKRDTOIWFX-CYBMUJFWSA-N 2 1 284.350 2.420 20 0 CEADMP C([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CCCCC1 ZINC000903974644 635392857 /nfs/dbraw/zinc/39/28/57/635392857.db2.gz VJMYZGYKSDCTJS-HNNXBMFYSA-N 2 1 266.429 2.315 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903963572 635397135 /nfs/dbraw/zinc/39/71/35/635397135.db2.gz BDDVDCDWSYDBJM-DVOMOZLQSA-N 2 1 262.397 2.214 20 0 CEADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963584 635397682 /nfs/dbraw/zinc/39/76/82/635397682.db2.gz BLLPIIDCWWAZCG-BPLDGKMQSA-N 2 1 292.423 2.222 20 0 CEADMP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1OC(C)C ZINC000903965153 635399692 /nfs/dbraw/zinc/39/96/92/635399692.db2.gz YBLUNOAXVMBGIC-HIFRSBDPSA-N 2 1 292.423 2.428 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000903968419 635400881 /nfs/dbraw/zinc/40/08/81/635400881.db2.gz VSBPEALCDMEUDU-HIFRSBDPSA-N 2 1 290.455 2.413 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000903968010 635401132 /nfs/dbraw/zinc/40/11/32/635401132.db2.gz OXXBIJWCAZOXMK-UIBIWLFHSA-N 3 1 293.499 2.475 20 0 CEADMP C[N@@H+](C[C@H](N)CCC(C)(C)C)C1CCC([NH3+])CC1 ZINC000904300964 635553736 /nfs/dbraw/zinc/55/37/36/635553736.db2.gz CNANYJMYPRFYRQ-ROKHWSDSSA-N 2 1 255.450 2.342 20 0 CEADMP C[N@@H+](CCCOc1ccc(F)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904311408 635558962 /nfs/dbraw/zinc/55/89/62/635558962.db2.gz AWAVSEYGWHYCQU-XBXGTLAGSA-N 2 1 266.360 2.264 20 0 CEADMP CC[N@H+](CCC(=O)OC)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904312052 635560516 /nfs/dbraw/zinc/56/05/16/635560516.db2.gz FFOFCPGRHJHPIZ-LBPRGKRZSA-N 2 1 258.406 2.025 20 0 CEADMP CC[N@@H+](CCC(=O)OC)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904312052 635560518 /nfs/dbraw/zinc/56/05/18/635560518.db2.gz FFOFCPGRHJHPIZ-LBPRGKRZSA-N 2 1 258.406 2.025 20 0 CEADMP CCOC(=O)CC[N@@H+](CC1CC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904313975 635561273 /nfs/dbraw/zinc/56/12/73/635561273.db2.gz PECQUINDTZCRKQ-INIZCTEOSA-N 2 1 282.428 2.041 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)C1 ZINC000904313753 635562121 /nfs/dbraw/zinc/56/21/21/635562121.db2.gz ZQHPJDSGDULFPD-BBWFWOEESA-N 2 1 274.408 2.405 20 0 CEADMP C[C@]1(C[N@@H+]2CCc3ccc(O)cc3C2)CCC[NH2+]C1 ZINC000904336072 635577235 /nfs/dbraw/zinc/57/72/35/635577235.db2.gz MIHZZZVCALFQSS-INIZCTEOSA-N 2 1 260.381 2.140 20 0 CEADMP C[C@]1(C[N@H+]2CCc3ccc(O)cc3C2)CCC[NH2+]C1 ZINC000904336072 635577238 /nfs/dbraw/zinc/57/72/38/635577238.db2.gz MIHZZZVCALFQSS-INIZCTEOSA-N 2 1 260.381 2.140 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904344107 635581698 /nfs/dbraw/zinc/58/16/98/635581698.db2.gz ZJNFXPNOBFNWNU-IAGOWNOFSA-N 2 1 279.472 2.040 20 0 CEADMP C[C@H]([NH3+])c1ccc(CNC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904350836 635583892 /nfs/dbraw/zinc/58/38/92/635583892.db2.gz QFIFHMPWTZIPLF-BBRMVZONSA-N 2 1 261.413 2.186 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000904350244 635584655 /nfs/dbraw/zinc/58/46/55/635584655.db2.gz JHVYAUKUQDCBKT-MSOLQXFVSA-N 3 1 287.451 2.357 20 0 CEADMP [NH3+]C[C@@H](NC1CC(C[NH3+])C1)c1ccc2ccccc2c1 ZINC000904356119 635588116 /nfs/dbraw/zinc/58/81/16/635588116.db2.gz UPBRWPXUCVAIFT-UAIPMZCESA-N 2 1 269.392 2.167 20 0 CEADMP c1cn(C2CC2)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000904377008 635601579 /nfs/dbraw/zinc/60/15/79/635601579.db2.gz GXLYQOQMXCLZNP-HNNXBMFYSA-N 2 1 288.439 2.430 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(CC[NH3+])CC1 ZINC000904376959 635601777 /nfs/dbraw/zinc/60/17/77/635601777.db2.gz ZHFAKTFIIRQBBU-AWEZNQCLSA-N 3 1 255.450 2.201 20 0 CEADMP COC(=O)[C@@H]1C[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@H]1C1CC1 ZINC000904376272 635601946 /nfs/dbraw/zinc/60/19/46/635601946.db2.gz NVFARZLOGZVHDG-QLFBSQMISA-N 2 1 296.455 2.271 20 0 CEADMP COC(=O)[C@@H]1C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@H]1C1CC1 ZINC000904376272 635601949 /nfs/dbraw/zinc/60/19/49/635601949.db2.gz NVFARZLOGZVHDG-QLFBSQMISA-N 2 1 296.455 2.271 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)C1 ZINC000904379008 635603323 /nfs/dbraw/zinc/60/33/23/635603323.db2.gz PKIIMUVUNOOELN-KBXIAJHMSA-N 2 1 252.402 2.005 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000904405492 635612676 /nfs/dbraw/zinc/61/26/76/635612676.db2.gz LXVZSCAVJSLVHA-CQSZACIVSA-N 2 1 270.380 2.043 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000904412845 635620339 /nfs/dbraw/zinc/62/03/39/635620339.db2.gz XUGXFGKEZUNJCO-DOMZBBRYSA-N 2 1 275.396 2.062 20 0 CEADMP c1ccc2c(c1)OCC[C@H]2C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420148 635631796 /nfs/dbraw/zinc/63/17/96/635631796.db2.gz DESHDGWOVLWOOJ-SOUVJXGZSA-N 2 1 272.392 2.094 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000904448570 635640155 /nfs/dbraw/zinc/64/01/55/635640155.db2.gz BMGSMBGQBYZJFQ-UHFFFAOYSA-N 2 1 261.756 2.469 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@@H](Cc3nccs3)C2)CCC[NH2+]C1 ZINC000904470444 635647437 /nfs/dbraw/zinc/64/74/37/635647437.db2.gz WZHXEMWOEMETFH-ZFWWWQNUSA-N 2 1 279.453 2.397 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](Cc3nccs3)C2)CC[NH2+]1 ZINC000904469016 635647513 /nfs/dbraw/zinc/64/75/13/635647513.db2.gz HYMNDDOAUHXNDA-RDBSUJKOSA-N 2 1 279.453 2.396 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccccc1C[NH3+] ZINC000904634540 635692475 /nfs/dbraw/zinc/69/24/75/635692475.db2.gz RNQLHNYTVCYETJ-ZDUSSCGKSA-N 2 1 292.427 2.387 20 0 CEADMP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)[NH+](C)C ZINC000826665791 635806289 /nfs/dbraw/zinc/80/62/89/635806289.db2.gz BFMKPDZRVBIJQC-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@](O)(C[NH2+]C1CC[NH+](CC(C)C)CC1)C(F)(F)F ZINC000905066495 635809170 /nfs/dbraw/zinc/80/91/70/635809170.db2.gz SFJVEFDGOILGAT-CYBMUJFWSA-N 2 1 296.377 2.400 20 0 CEADMP CC(C)(C)[NH2+]CCC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000826751096 635836392 /nfs/dbraw/zinc/83/63/92/635836392.db2.gz MDMHIAMNEUWVRX-HNNXBMFYSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@](O)(C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)F ZINC000905241774 636192124 /nfs/dbraw/zinc/19/21/24/636192124.db2.gz GDHJZRPWCMYREX-ZBFHGGJFSA-N 2 1 298.377 2.114 20 0 CEADMP CC(C)(C)[NH2+]CCC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000827078246 636205995 /nfs/dbraw/zinc/20/59/95/636205995.db2.gz LFTQFMQJBALNPS-OAHLLOKOSA-N 2 1 295.471 2.288 20 0 CEADMP Cc1cccc([C@@H](O)C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000905286889 636210140 /nfs/dbraw/zinc/21/01/40/636210140.db2.gz SVKDMHAGARCGIE-RDJZCZTQSA-N 2 1 276.424 2.350 20 0 CEADMP C[N@@H+](CCNC(=O)c1cccc(C[NH3+])c1)C1CCCCC1 ZINC000827737977 636408996 /nfs/dbraw/zinc/40/89/96/636408996.db2.gz FIXVPFLNPQYXSK-UHFFFAOYSA-N 2 1 289.423 2.140 20 0 CEADMP Cc1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(C)o1 ZINC000827855439 636443594 /nfs/dbraw/zinc/44/35/94/636443594.db2.gz DAVMBFWJOBBFIE-INIZCTEOSA-N 2 1 280.412 2.439 20 0 CEADMP Cc1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(C)o1 ZINC000827855439 636443597 /nfs/dbraw/zinc/44/35/97/636443597.db2.gz DAVMBFWJOBBFIE-INIZCTEOSA-N 2 1 280.412 2.439 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000906510045 636760760 /nfs/dbraw/zinc/76/07/60/636760760.db2.gz LNTFBYWODSCDGJ-UHFFFAOYSA-N 2 1 292.276 2.346 20 0 CEADMP Cc1cc(C)c(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c(C)n1 ZINC000906540702 636780326 /nfs/dbraw/zinc/78/03/26/636780326.db2.gz PWGRHVKLBJDQHM-LBPRGKRZSA-N 2 1 275.396 2.219 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)C)C1 ZINC000906564931 636791890 /nfs/dbraw/zinc/79/18/90/636791890.db2.gz BXJBNXSEZUBTNI-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH+](CC)CC)C2)C1 ZINC000906847567 636867382 /nfs/dbraw/zinc/86/73/82/636867382.db2.gz BCUGIFHWXAIKLK-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)(C)[N@H+]1CCCN(C(=O)NCCCCCC[NH3+])CC1 ZINC000831256762 637267366 /nfs/dbraw/zinc/26/73/66/637267366.db2.gz JFSNTMWNTZNANL-UHFFFAOYSA-N 2 1 298.475 2.021 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1ccc(F)cc1F ZINC000841085390 637297115 /nfs/dbraw/zinc/29/71/15/637297115.db2.gz AXIDYLWXZPDMQZ-ZDUSSCGKSA-N 2 1 254.324 2.237 20 0 CEADMP C[C@@H](CNC(=O)CCCCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000155706610 637849952 /nfs/dbraw/zinc/84/99/52/637849952.db2.gz YRBLYEGYBJEAAH-HNNXBMFYSA-N 2 1 291.439 2.142 20 0 CEADMP CC[C@H](C(=O)N1CCC[N@@H+](CC)C[C@H]1C)[NH+](CC)CC ZINC000910281697 637975205 /nfs/dbraw/zinc/97/52/05/637975205.db2.gz LMPCEYNYMCAKDL-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000126110283 650401806 /nfs/dbraw/zinc/40/18/06/650401806.db2.gz BJMIOAKISYRCMK-JKSUJKDBSA-N 2 1 297.487 2.297 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000126110283 650401808 /nfs/dbraw/zinc/40/18/08/650401808.db2.gz BJMIOAKISYRCMK-JKSUJKDBSA-N 2 1 297.487 2.297 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000126110283 650401810 /nfs/dbraw/zinc/40/18/10/650401810.db2.gz BJMIOAKISYRCMK-JKSUJKDBSA-N 2 1 297.487 2.297 20 0 CEADMP CC(C)[C@@H](C(=O)OC[C@H]1CCCC[N@@H+]1C(C)C)[NH+](C)C ZINC000837681161 639341275 /nfs/dbraw/zinc/34/12/75/639341275.db2.gz MMIPKUZDZGDRPR-CABCVRRESA-N 2 1 284.444 2.379 20 0 CEADMP CC(C)[C@@H](C(=O)OC[C@H]1CCCC[N@H+]1C(C)C)[NH+](C)C ZINC000837681161 639341283 /nfs/dbraw/zinc/34/12/83/639341283.db2.gz MMIPKUZDZGDRPR-CABCVRRESA-N 2 1 284.444 2.379 20 0 CEADMP CC[N@H+]1CC[C@@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@H]12 ZINC000991620059 639508094 /nfs/dbraw/zinc/50/80/94/639508094.db2.gz FSDARAHEYLEHPH-RDJZCZTQSA-N 2 1 298.390 2.081 20 0 CEADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000227335294 639584971 /nfs/dbraw/zinc/58/49/71/639584971.db2.gz MIICZTGGARICGG-HYVNUMGLSA-N 2 1 275.440 2.410 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000232148516 639903378 /nfs/dbraw/zinc/90/33/78/639903378.db2.gz YGPDNOBIWXYHGF-GJZGRUSLSA-N 2 1 254.418 2.131 20 0 CEADMP CCCCOC(=O)CC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000842476112 640075489 /nfs/dbraw/zinc/07/54/89/640075489.db2.gz HCBUPZYEQVHOSV-AWEZNQCLSA-N 2 1 270.417 2.217 20 0 CEADMP Cc1ccc(OCC[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000842475546 640075630 /nfs/dbraw/zinc/07/56/30/640075630.db2.gz SQVVMPASFJALQG-CQSZACIVSA-N 2 1 250.386 2.337 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2N)C1 ZINC000877074086 650560297 /nfs/dbraw/zinc/56/02/97/650560297.db2.gz ZDDVMPFPTVNARB-CHWSQXEVSA-N 2 1 265.376 2.370 20 0 CEADMP CC[C@H]1C[C@H](C[N@@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000843055625 640258210 /nfs/dbraw/zinc/25/82/10/640258210.db2.gz IMIJOFJYLATWIH-URGYJCLVSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000843181793 640333291 /nfs/dbraw/zinc/33/32/91/640333291.db2.gz RBSGTUORMBAVKJ-LLVKDONJSA-N 2 1 272.352 2.352 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000843353266 640400610 /nfs/dbraw/zinc/40/06/10/640400610.db2.gz DVXXOUVEXNEUHL-HUUCEWRRSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000843353266 640400614 /nfs/dbraw/zinc/40/06/14/640400614.db2.gz DVXXOUVEXNEUHL-HUUCEWRRSA-N 2 1 295.471 2.275 20 0 CEADMP [NH3+]CCCCCCCN1CCC([NH2+]CC2CC2)CC1 ZINC000843352764 640400727 /nfs/dbraw/zinc/40/07/27/640400727.db2.gz UNCVLHMAZQGVDY-UHFFFAOYSA-N 2 1 267.461 2.360 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)s1 ZINC000843355602 640401190 /nfs/dbraw/zinc/40/11/90/640401190.db2.gz XAHKFKWRYRUFJB-UHFFFAOYSA-N 2 1 282.409 2.236 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843362931 640405649 /nfs/dbraw/zinc/40/56/49/640405649.db2.gz JVPMYHAIFAALRO-GJZGRUSLSA-N 2 1 282.428 2.184 20 0 CEADMP CCCOC(=O)[C@H](C)[N@H+](CCC[NH3+])CC1CCCC1 ZINC000843384904 640412305 /nfs/dbraw/zinc/41/23/05/640412305.db2.gz HFNNROHSGHTGJS-ZDUSSCGKSA-N 2 1 270.417 2.169 20 0 CEADMP CCCOC(=O)[C@H](C)[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000843384904 640412308 /nfs/dbraw/zinc/41/23/08/640412308.db2.gz HFNNROHSGHTGJS-ZDUSSCGKSA-N 2 1 270.417 2.169 20 0 CEADMP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843386001 640412799 /nfs/dbraw/zinc/41/27/99/640412799.db2.gz AULZKJZCVIEDEK-SOUVJXGZSA-N 2 1 282.428 2.040 20 0 CEADMP C[N@H+](Cc1cc(=O)oc2cc3c(cc12)CCC3)C1CC([NH3+])C1 ZINC000843387377 640413296 /nfs/dbraw/zinc/41/32/96/640413296.db2.gz FXYXDJMYAHGROF-UHFFFAOYSA-N 2 1 298.386 2.203 20 0 CEADMP C[N@@H+](Cc1cc(=O)oc2cc3c(cc12)CCC3)C1CC([NH3+])C1 ZINC000843387377 640413302 /nfs/dbraw/zinc/41/33/02/640413302.db2.gz FXYXDJMYAHGROF-UHFFFAOYSA-N 2 1 298.386 2.203 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCCCC[NH3+])CCN1C ZINC000844221872 640636385 /nfs/dbraw/zinc/63/63/85/640636385.db2.gz WZMNNHCDJSCLAN-HUUCEWRRSA-N 2 1 255.450 2.310 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCCCCC[NH3+])CC[N@@H+]1C ZINC000844221872 640636389 /nfs/dbraw/zinc/63/63/89/640636389.db2.gz WZMNNHCDJSCLAN-HUUCEWRRSA-N 3 1 255.450 2.310 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCCCCC[NH3+])CC[N@H+]1C ZINC000844221872 640636390 /nfs/dbraw/zinc/63/63/90/640636390.db2.gz WZMNNHCDJSCLAN-HUUCEWRRSA-N 3 1 255.450 2.310 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCCCCCC[NH3+])CC[NH+]1C ZINC000844221872 640636395 /nfs/dbraw/zinc/63/63/95/640636395.db2.gz WZMNNHCDJSCLAN-HUUCEWRRSA-N 3 1 255.450 2.310 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCCCC[NH3+])CC[NH+]1C ZINC000844221872 640636401 /nfs/dbraw/zinc/63/64/01/640636401.db2.gz WZMNNHCDJSCLAN-HUUCEWRRSA-N 3 1 255.450 2.310 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CCC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000844280839 640654740 /nfs/dbraw/zinc/65/47/40/640654740.db2.gz WUPAKTNMVQUGJY-PWSUYJOCSA-N 2 1 295.254 2.005 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000844280839 640654744 /nfs/dbraw/zinc/65/47/44/640654744.db2.gz WUPAKTNMVQUGJY-PWSUYJOCSA-N 2 1 295.254 2.005 20 0 CEADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994408793 640830544 /nfs/dbraw/zinc/83/05/44/640830544.db2.gz PEOBZRCPXOVNGX-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994408793 640830551 /nfs/dbraw/zinc/83/05/51/640830551.db2.gz PEOBZRCPXOVNGX-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP Cc1cc(NCCCC[N@@H+]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000917073335 640846814 /nfs/dbraw/zinc/84/68/14/640846814.db2.gz OGXNWUFREAOTQW-LBPRGKRZSA-N 2 1 277.416 2.291 20 0 CEADMP Cc1ccc2c(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc(=O)oc2c1C ZINC000917199280 640863908 /nfs/dbraw/zinc/86/39/08/640863908.db2.gz YJULBNDCMBQZNN-HUUCEWRRSA-N 2 1 298.386 2.061 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)C1CC[NH+](C2CC2)CC1 ZINC000845737154 641068109 /nfs/dbraw/zinc/06/81/09/641068109.db2.gz WHZXLXVRDMOQDC-OAHLLOKOSA-N 2 1 294.439 2.277 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846220215 641229250 /nfs/dbraw/zinc/22/92/50/641229250.db2.gz KYYCAAUBZHLFHL-HNNXBMFYSA-N 3 1 255.450 2.169 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000846221387 641230950 /nfs/dbraw/zinc/23/09/50/641230950.db2.gz YCRNGQOBBGXYNU-JKSUJKDBSA-N 3 1 267.461 2.217 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846224999 641232869 /nfs/dbraw/zinc/23/28/69/641232869.db2.gz IBVFTLNLKRVSST-BBWFWOEESA-N 3 1 297.487 2.114 20 0 CEADMP NC[C@H]1c2ccccc2CC[N@H+]1CCCCCC[NH3+] ZINC000846224500 641233430 /nfs/dbraw/zinc/23/34/30/641233430.db2.gz YSBLAGCRLXPLRW-INIZCTEOSA-N 2 1 261.413 2.064 20 0 CEADMP NC[C@H]1c2ccccc2CC[N@@H+]1CCCCCC[NH3+] ZINC000846224500 641233437 /nfs/dbraw/zinc/23/34/37/641233437.db2.gz YSBLAGCRLXPLRW-INIZCTEOSA-N 2 1 261.413 2.064 20 0 CEADMP C[N@H+]1CCC[C@@]2(CCN(CC3(Br)CC3)C2)C1 ZINC000846922058 641484036 /nfs/dbraw/zinc/48/40/36/641484036.db2.gz COBNRPWDJIXEQF-GFCCVEGCSA-N 2 1 287.245 2.332 20 0 CEADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3(Br)CC3)C2)C1 ZINC000846922058 641484040 /nfs/dbraw/zinc/48/40/40/641484040.db2.gz COBNRPWDJIXEQF-GFCCVEGCSA-N 2 1 287.245 2.332 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC3(Br)CC3)C2)C1 ZINC000846922058 641484043 /nfs/dbraw/zinc/48/40/43/641484043.db2.gz COBNRPWDJIXEQF-GFCCVEGCSA-N 2 1 287.245 2.332 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3(Br)CC3)C2)C1 ZINC000846922058 641484046 /nfs/dbraw/zinc/48/40/46/641484046.db2.gz COBNRPWDJIXEQF-GFCCVEGCSA-N 2 1 287.245 2.332 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3(Br)CC3)C2)C1 ZINC000846922058 641484051 /nfs/dbraw/zinc/48/40/51/641484051.db2.gz COBNRPWDJIXEQF-GFCCVEGCSA-N 2 1 287.245 2.332 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000070074689 641629490 /nfs/dbraw/zinc/62/94/90/641629490.db2.gz CNUWHGTVDWWXTE-ZBFHGGJFSA-N 2 1 284.407 2.432 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000070074689 641629492 /nfs/dbraw/zinc/62/94/92/641629492.db2.gz CNUWHGTVDWWXTE-ZBFHGGJFSA-N 2 1 284.407 2.432 20 0 CEADMP CCCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000080844742 641728122 /nfs/dbraw/zinc/72/81/22/641728122.db2.gz YOQUPHNGZJHGES-MRXNPFEDSA-N 2 1 288.439 2.355 20 0 CEADMP CC(C)[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995915593 642082221 /nfs/dbraw/zinc/08/22/21/642082221.db2.gz PESOLHXUPNFNJP-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000996690133 642127117 /nfs/dbraw/zinc/12/71/17/642127117.db2.gz PECQXECSCONSAA-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000996754363 642133090 /nfs/dbraw/zinc/13/30/90/642133090.db2.gz YEDCZUFOEVUQGV-UHFFFAOYSA-N 2 1 295.471 2.240 20 0 CEADMP [NH2+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC1CCC1 ZINC000848981631 642204229 /nfs/dbraw/zinc/20/42/29/642204229.db2.gz HESKCEVXDXHDDO-ZDUSSCGKSA-N 2 1 276.384 2.083 20 0 CEADMP CC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000848986823 642208921 /nfs/dbraw/zinc/20/89/21/642208921.db2.gz GLIXARHIVXYYJT-AVGNSLFASA-N 2 1 254.422 2.162 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C(F)(F)F ZINC000848988930 642210152 /nfs/dbraw/zinc/21/01/52/642210152.db2.gz NFFJJZBXVABMTH-SNVBAGLBSA-N 2 1 294.365 2.173 20 0 CEADMP [NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC1 ZINC000848998271 642217502 /nfs/dbraw/zinc/21/75/02/642217502.db2.gz NFUUFRYNPNAAMT-CYBMUJFWSA-N 2 1 292.452 2.190 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2C)C1 ZINC000921547634 642227799 /nfs/dbraw/zinc/22/77/99/642227799.db2.gz MINJETIVKBSYIL-AWEZNQCLSA-N 2 1 262.397 2.435 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CC(C)(C)C1 ZINC000849020671 642234967 /nfs/dbraw/zinc/23/49/67/642234967.db2.gz VTSYXVYUDNLVHW-CYBMUJFWSA-N 2 1 266.433 2.021 20 0 CEADMP CC1(C)CCC[N@@H+](CCNC(=[NH2+])N2CCCCC2)C1 ZINC000849022976 642236545 /nfs/dbraw/zinc/23/65/45/642236545.db2.gz ARXZAIWWMHUXAF-UHFFFAOYSA-N 2 1 266.433 2.119 20 0 CEADMP C[C@H](C[NH2+]Cc1cnn(CCF)c1)C[NH+]1CCCCC1 ZINC000921562783 642246803 /nfs/dbraw/zinc/24/68/03/642246803.db2.gz IVCARVXTEJDLSQ-CQSZACIVSA-N 2 1 282.407 2.064 20 0 CEADMP CCCn1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cn1 ZINC000685470795 642575518 /nfs/dbraw/zinc/57/55/18/642575518.db2.gz RWPIVAKIAKCMBS-HOTGVXAUSA-N 2 1 276.428 2.209 20 0 CEADMP O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000850372965 642686830 /nfs/dbraw/zinc/68/68/30/642686830.db2.gz BRNCQQOQWDWURP-OSRSDYAFSA-N 2 1 272.392 2.381 20 0 CEADMP O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000850372965 642686834 /nfs/dbraw/zinc/68/68/34/642686834.db2.gz BRNCQQOQWDWURP-OSRSDYAFSA-N 2 1 272.392 2.381 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921914247 642783301 /nfs/dbraw/zinc/78/33/01/642783301.db2.gz IAIXQFJLLKOGMH-HNNXBMFYSA-N 2 1 277.412 2.245 20 0 CEADMP CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003161822 642918866 /nfs/dbraw/zinc/91/88/66/642918866.db2.gz ZFUJRDKOXJMKLV-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1occc1C[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922390425 643058443 /nfs/dbraw/zinc/05/84/43/643058443.db2.gz MJHSHYAZZAMKTK-VQHPVUNQSA-N 2 1 292.423 2.157 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@]23CCC[C@H]2OCC3)s1 ZINC000922693188 643200274 /nfs/dbraw/zinc/20/02/74/643200274.db2.gz VKQAKVRYLMVGFA-UKRRQHHQSA-N 2 1 295.452 2.254 20 0 CEADMP CN(C)[C@H](CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(F)(F)F ZINC000922750550 643239719 /nfs/dbraw/zinc/23/97/19/643239719.db2.gz AQCGDKUCIWCLFZ-NWDGAFQWSA-N 2 1 295.393 2.331 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCO1 ZINC000922818767 643281381 /nfs/dbraw/zinc/28/13/81/643281381.db2.gz YTGICJBZEYXJAK-QLFBSQMISA-N 2 1 252.402 2.162 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014719881 643390495 /nfs/dbraw/zinc/39/04/95/643390495.db2.gz AEEDKKLIMNLRLX-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014719881 643390498 /nfs/dbraw/zinc/39/04/98/643390498.db2.gz AEEDKKLIMNLRLX-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014719881 643390500 /nfs/dbraw/zinc/39/05/00/643390500.db2.gz AEEDKKLIMNLRLX-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP C1CC1([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCCO1 ZINC000923028553 643523479 /nfs/dbraw/zinc/52/34/79/643523479.db2.gz RGGOHNCPSVUNIW-RBSFLKMASA-N 2 1 264.413 2.305 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)Cc2ccccc21 ZINC000852742157 643529221 /nfs/dbraw/zinc/52/92/21/643529221.db2.gz DIAHYEPQYRXPRB-DZGCQCFKSA-N 2 1 272.392 2.127 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C1CCCC1 ZINC000852748571 643533200 /nfs/dbraw/zinc/53/32/00/643533200.db2.gz XHGGBMFTRBUCSB-HOTGVXAUSA-N 2 1 266.429 2.267 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC2CC(F)(F)C2)CCO1 ZINC000852762063 643542105 /nfs/dbraw/zinc/54/21/05/643542105.db2.gz GZOYXWSQKJKEPK-CYBMUJFWSA-N 2 1 276.371 2.074 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC2SCCS2)C1 ZINC000853023145 643624519 /nfs/dbraw/zinc/62/45/19/643624519.db2.gz OIEBFQXRQONZPP-MNOVXSKESA-N 2 1 260.472 2.242 20 0 CEADMP c1ccc(C[C@@H]2CCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923300110 643645441 /nfs/dbraw/zinc/64/54/41/643645441.db2.gz ACDMIUSRVAOHFO-IRXDYDNUSA-N 2 1 286.419 2.072 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000923296575 643647542 /nfs/dbraw/zinc/64/75/42/643647542.db2.gz ICQNBPPLPCLZDA-HZPDHXFCSA-N 2 1 264.413 2.334 20 0 CEADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301881 643649147 /nfs/dbraw/zinc/64/91/47/643649147.db2.gz ZKJHUTSLMGIVGF-AAEUAGOBSA-N 2 1 296.361 2.336 20 0 CEADMP CC[C@@H]1CCCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316708 643655635 /nfs/dbraw/zinc/65/56/35/643655635.db2.gz RLZSDGJZXWQHAL-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316643 643655878 /nfs/dbraw/zinc/65/58/78/643655878.db2.gz PXHXJBIYGMBUFD-BJMQQELFSA-N 2 1 274.408 2.023 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1)c1ccccc1 ZINC000923311952 643658329 /nfs/dbraw/zinc/65/83/29/643658329.db2.gz COMSDLKOLUGIBC-GDBMZVCRSA-N 2 1 274.408 2.100 20 0 CEADMP Cc1ccc(C[C@@H]2CCC[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)cc1 ZINC000923311392 643658576 /nfs/dbraw/zinc/65/85/76/643658576.db2.gz XGZFVPDKRFMDRC-XSLAGTTESA-N 2 1 288.435 2.100 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923328350 643659249 /nfs/dbraw/zinc/65/92/49/643659249.db2.gz ZCZCXMCSXRLCCS-HNNXBMFYSA-N 3 1 288.439 2.266 20 0 CEADMP c1ccn2c(c1)nnc2C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923320375 643661389 /nfs/dbraw/zinc/66/13/89/643661389.db2.gz XWHWJKAOSFLPRG-UHFFFAOYSA-N 2 1 299.422 2.051 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](O)CCc1ccccc1 ZINC000923329897 643661515 /nfs/dbraw/zinc/66/15/15/643661515.db2.gz QYFXHBLENVWILU-HQSKLWIPSA-N 2 1 288.435 2.324 20 0 CEADMP O[C@H](CCc1ccccc1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923331458 643662471 /nfs/dbraw/zinc/66/24/71/643662471.db2.gz MFBCUIPQROSVHD-QGZVFWFLSA-N 2 1 288.435 2.056 20 0 CEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCN(C2CC2)C1 ZINC000923324042 643663629 /nfs/dbraw/zinc/66/36/29/643663629.db2.gz PPFCLXMUHKJMRN-BTFYYFJDSA-N 2 1 277.456 2.076 20 0 CEADMP Cc1ccnc(NC[C@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)c1 ZINC000923326632 643665026 /nfs/dbraw/zinc/66/50/26/643665026.db2.gz MSRRCWCBCGYGGU-OAHLLOKOSA-N 2 1 288.439 2.266 20 0 CEADMP CC[N@@H+](C[C@@H](O)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000923336060 643668136 /nfs/dbraw/zinc/66/81/36/643668136.db2.gz PUAVVNFTFWWLHM-JKSUJKDBSA-N 2 1 262.397 2.184 20 0 CEADMP CC[N@@H+](C[C@@H](O)c1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000923336462 643668156 /nfs/dbraw/zinc/66/81/56/643668156.db2.gz SMGHENHWWATNQU-JKSUJKDBSA-N 2 1 280.387 2.323 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000923344192 643675143 /nfs/dbraw/zinc/67/51/43/643675143.db2.gz FLABCXDJTFIDBK-VCTAVGKDSA-N 2 1 284.350 2.057 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000923344192 643675144 /nfs/dbraw/zinc/67/51/44/643675144.db2.gz FLABCXDJTFIDBK-VCTAVGKDSA-N 2 1 284.350 2.057 20 0 CEADMP COc1cc(C[N@H+](CCC[NH3+])CC2CCCC2)sn1 ZINC000923353590 643678670 /nfs/dbraw/zinc/67/86/70/643678670.db2.gz KFLJKWYHUSSTMC-UHFFFAOYSA-N 2 1 283.441 2.493 20 0 CEADMP COc1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)sn1 ZINC000923353590 643678671 /nfs/dbraw/zinc/67/86/71/643678671.db2.gz KFLJKWYHUSSTMC-UHFFFAOYSA-N 2 1 283.441 2.493 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923363413 643679699 /nfs/dbraw/zinc/67/96/99/643679699.db2.gz XBJUZGUXVXQDDU-FVAVCCDCSA-N 3 1 291.483 2.229 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923364298 643680054 /nfs/dbraw/zinc/68/00/54/643680054.db2.gz LZJHXAXGTUVZPJ-GVDBMIGSSA-N 2 1 280.456 2.392 20 0 CEADMP CC[N@H+](CCC[NH2+]C1CC1)CCc1nccs1 ZINC000923370022 643683192 /nfs/dbraw/zinc/68/31/92/643683192.db2.gz BVCZWEAMOZWUNX-UHFFFAOYSA-N 2 1 253.415 2.150 20 0 CEADMP CC[N@@H+](CCC[NH2+]C1CC1)CCc1nccs1 ZINC000923370022 643683196 /nfs/dbraw/zinc/68/31/96/643683196.db2.gz BVCZWEAMOZWUNX-UHFFFAOYSA-N 2 1 253.415 2.150 20 0 CEADMP Cc1cc(C)cc(C[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923372548 643684035 /nfs/dbraw/zinc/68/40/35/643684035.db2.gz GWZNGEZTDKBWFS-INIZCTEOSA-N 2 1 274.408 2.114 20 0 CEADMP C[NH2+]CCC[N@@H+](C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000923378363 643686955 /nfs/dbraw/zinc/68/69/55/643686955.db2.gz HTOFLKZIOHEGFU-GOSISDBHSA-N 2 1 286.419 2.285 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)c1cccc(Cl)c1Cl ZINC000923379631 643687462 /nfs/dbraw/zinc/68/74/62/643687462.db2.gz QZWSYETZAVPRKH-OSTYVCCYSA-N 2 1 289.206 2.495 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000923382031 643688120 /nfs/dbraw/zinc/68/81/20/643688120.db2.gz IQRGLCJMFWJWLS-DSPQJCBJSA-N 2 1 280.387 2.164 20 0 CEADMP CCc1ncc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])o1 ZINC000923386963 643692454 /nfs/dbraw/zinc/69/24/54/643692454.db2.gz MBQAXFPKWONPQP-AAEUAGOBSA-N 2 1 251.374 2.186 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])o1 ZINC000923386963 643692458 /nfs/dbraw/zinc/69/24/58/643692458.db2.gz MBQAXFPKWONPQP-AAEUAGOBSA-N 2 1 251.374 2.186 20 0 CEADMP CCc1ncc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)o1 ZINC000923415473 643703071 /nfs/dbraw/zinc/70/30/71/643703071.db2.gz QICVBWMSBQQAAO-OAHLLOKOSA-N 2 1 265.401 2.434 20 0 CEADMP CCc1ncc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)o1 ZINC000923415473 643703078 /nfs/dbraw/zinc/70/30/78/643703078.db2.gz QICVBWMSBQQAAO-OAHLLOKOSA-N 2 1 265.401 2.434 20 0 CEADMP FC1(F)C[C@]2(CC[N@H+](CCC[NH2+]C3CC3)C2)C1(F)F ZINC000923427164 643706139 /nfs/dbraw/zinc/70/61/39/643706139.db2.gz AASKBYAWIFNFQO-NSHDSACASA-N 2 1 280.309 2.495 20 0 CEADMP FC1(F)C[C@]2(CC[N@@H+](CCC[NH2+]C3CC3)C2)C1(F)F ZINC000923427164 643706144 /nfs/dbraw/zinc/70/61/44/643706144.db2.gz AASKBYAWIFNFQO-NSHDSACASA-N 2 1 280.309 2.495 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)C1CCCCC1 ZINC000923428923 643707166 /nfs/dbraw/zinc/70/71/66/643707166.db2.gz SPEZRMXCDNDZNE-CABCVRRESA-N 2 1 266.429 2.192 20 0 CEADMP COCC1([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000923419511 643708294 /nfs/dbraw/zinc/70/82/94/643708294.db2.gz BQLPEZNKLWEFFE-GOOCMWNKSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)(C)c1cc2n(n1)CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000923440618 643717259 /nfs/dbraw/zinc/71/72/59/643717259.db2.gz LMRMZEHWRMNVAI-OLZOCXBDSA-N 2 1 276.428 2.124 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923482229 643732224 /nfs/dbraw/zinc/73/22/24/643732224.db2.gz PNJCEDRHCLPARX-CYBMUJFWSA-N 2 1 280.437 2.458 20 0 CEADMP C[C@@H]1C[N@@H+](CCC2SCCS2)CC[C@@H]1C[NH3+] ZINC000923488428 643735209 /nfs/dbraw/zinc/73/52/09/643735209.db2.gz FSWSGEXGLVBEKK-GHMZBOCLSA-N 2 1 260.472 2.099 20 0 CEADMP CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923493898 643738179 /nfs/dbraw/zinc/73/81/79/643738179.db2.gz WQOUULMDZRYAHH-CQSZACIVSA-N 2 1 289.423 2.167 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)CC[C@@H]1C[NH3+] ZINC000923494032 643738679 /nfs/dbraw/zinc/73/86/79/643738679.db2.gz KEEYLBFPNAAKBL-GXTWGEPZSA-N 2 1 264.417 2.055 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2N(C)C)CC[C@@H]1C[NH3+] ZINC000923500393 643741726 /nfs/dbraw/zinc/74/17/26/643741726.db2.gz OFXKXAKXOJCHHV-UONOGXRCSA-N 2 1 261.413 2.169 20 0 CEADMP CCCCc1noc([C@H](C)[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923501419 643742378 /nfs/dbraw/zinc/74/23/78/643742378.db2.gz UDUSQJNBJWVGBU-FRRDWIJNSA-N 2 1 280.416 2.390 20 0 CEADMP Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923507262 643744567 /nfs/dbraw/zinc/74/45/67/643744567.db2.gz JPGPPYKVAVQZSE-CABCVRRESA-N 2 1 289.423 2.159 20 0 CEADMP FC1(F)CCC[C@H]1CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515401 643747247 /nfs/dbraw/zinc/74/72/47/643747247.db2.gz GAJQBAOVCFTIRA-XQQFMLRXSA-N 2 1 258.356 2.353 20 0 CEADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923515311 643747407 /nfs/dbraw/zinc/74/74/07/643747407.db2.gz PULNBPAHPQMWLR-FMKPAKJESA-N 2 1 289.423 2.239 20 0 CEADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923515311 643747413 /nfs/dbraw/zinc/74/74/13/643747413.db2.gz PULNBPAHPQMWLR-FMKPAKJESA-N 2 1 289.423 2.239 20 0 CEADMP CCc1ccc(CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923518038 643748412 /nfs/dbraw/zinc/74/84/12/643748412.db2.gz JRPHUXPJAGRDBM-DLBZAZTESA-N 2 1 258.409 2.333 20 0 CEADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000923513111 643749145 /nfs/dbraw/zinc/74/91/45/643749145.db2.gz HWUJDKYJEMSVEB-RBSFLKMASA-N 2 1 289.423 2.157 20 0 CEADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000923513111 643749149 /nfs/dbraw/zinc/74/91/49/643749149.db2.gz HWUJDKYJEMSVEB-RBSFLKMASA-N 2 1 289.423 2.157 20 0 CEADMP C(=C\[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1)\c1ccccc1 ZINC000923525909 643750350 /nfs/dbraw/zinc/75/03/50/643750350.db2.gz KYRRYEKNSHBBPD-GIFJBRJJSA-N 2 1 285.435 2.069 20 0 CEADMP COC(=O)[C@@H]1CC[N@@H+](CCCCCCC[NH3+])[C@H](C)C1 ZINC000923551725 643758973 /nfs/dbraw/zinc/75/89/73/643758973.db2.gz PSZSSILZGZUHRI-ZIAGYGMSSA-N 2 1 270.417 2.169 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CCSCC3)CC[C@H]21 ZINC000877739827 650882674 /nfs/dbraw/zinc/88/26/74/650882674.db2.gz HKFNGXBSNXJJCM-UONOGXRCSA-N 2 1 254.443 2.156 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CC3CCSCC3)CC[C@H]21 ZINC000877739827 650882675 /nfs/dbraw/zinc/88/26/75/650882675.db2.gz HKFNGXBSNXJJCM-UONOGXRCSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CC3CCSCC3)CC[C@H]21 ZINC000877739827 650882678 /nfs/dbraw/zinc/88/26/78/650882678.db2.gz HKFNGXBSNXJJCM-UONOGXRCSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CCSCC3)CC[C@H]21 ZINC000877739827 650882680 /nfs/dbraw/zinc/88/26/80/650882680.db2.gz HKFNGXBSNXJJCM-UONOGXRCSA-N 2 1 254.443 2.156 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877741291 650884334 /nfs/dbraw/zinc/88/43/34/650884334.db2.gz AKVGCAPFTBTUGI-GDBMZVCRSA-N 2 1 260.381 2.221 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877741291 650884335 /nfs/dbraw/zinc/88/43/35/650884335.db2.gz AKVGCAPFTBTUGI-GDBMZVCRSA-N 2 1 260.381 2.221 20 0 CEADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877741291 650884336 /nfs/dbraw/zinc/88/43/36/650884336.db2.gz AKVGCAPFTBTUGI-GDBMZVCRSA-N 2 1 260.381 2.221 20 0 CEADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877741291 650884337 /nfs/dbraw/zinc/88/43/37/650884337.db2.gz AKVGCAPFTBTUGI-GDBMZVCRSA-N 2 1 260.381 2.221 20 0 CEADMP C[C@H]([NH2+]CCC1SCCS1)c1c[nH+]ccc1N ZINC000854230053 644017162 /nfs/dbraw/zinc/01/71/62/644017162.db2.gz FJZOJILONKYJIT-VIFPVBQESA-N 2 1 269.439 2.341 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCCC3CCOCC3)CC[C@@H]21 ZINC000877742221 650885353 /nfs/dbraw/zinc/88/53/53/650885353.db2.gz OMUKANAHWRYJGW-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCCC3CCOCC3)CC[C@@H]21 ZINC000877742221 650885356 /nfs/dbraw/zinc/88/53/56/650885356.db2.gz OMUKANAHWRYJGW-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCCC3CCOCC3)CC[C@@H]21 ZINC000877742221 650885359 /nfs/dbraw/zinc/88/53/59/650885359.db2.gz OMUKANAHWRYJGW-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCC3CCOCC3)CC[C@@H]21 ZINC000877742221 650885363 /nfs/dbraw/zinc/88/53/63/650885363.db2.gz OMUKANAHWRYJGW-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000854655381 644118906 /nfs/dbraw/zinc/11/89/06/644118906.db2.gz PSTOIUJSJZPPFG-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)/C=C1\CC[C@@H](C)C1 ZINC000855345436 644312186 /nfs/dbraw/zinc/31/21/86/644312186.db2.gz AHVDQLPRWWNRHG-XQYZYSQISA-N 2 1 295.471 2.121 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)/C=C1\CC[C@@H](C)C1 ZINC000855345436 644312189 /nfs/dbraw/zinc/31/21/89/644312189.db2.gz AHVDQLPRWWNRHG-XQYZYSQISA-N 2 1 295.471 2.121 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)C/C=C(/C)C(=O)OC ZINC000759739353 645070177 /nfs/dbraw/zinc/07/01/77/645070177.db2.gz AXLJBSBFBQYUEW-ZSOIEALJSA-N 2 1 293.411 2.277 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C/C=C(/C)C(=O)OC ZINC000759739353 645070188 /nfs/dbraw/zinc/07/01/88/645070188.db2.gz AXLJBSBFBQYUEW-ZSOIEALJSA-N 2 1 293.411 2.277 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2ccsc2)CC1(C)C ZINC000858142824 645072558 /nfs/dbraw/zinc/07/25/58/645072558.db2.gz NXDDUAMVEMTJIE-DZGCQCFKSA-N 2 1 282.453 2.418 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCc3ccccc32)CC1(C)C ZINC000858153413 645076000 /nfs/dbraw/zinc/07/60/00/645076000.db2.gz LIZWXEXIUISBGS-MAUKXSAKSA-N 2 1 288.435 2.283 20 0 CEADMP OCc1cc(NCCC[N@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000858344160 645126232 /nfs/dbraw/zinc/12/62/32/645126232.db2.gz SZDVKNOKYOCTTQ-UHFFFAOYSA-N 2 1 297.402 2.434 20 0 CEADMP CO[C@H]1C[C@@H](C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC000878049113 650984253 /nfs/dbraw/zinc/98/42/53/650984253.db2.gz ZKCNQQQWRDQNKQ-IYBDPMFKSA-N 2 1 268.445 2.464 20 0 CEADMP CC(C)CC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000760969291 645218760 /nfs/dbraw/zinc/21/87/60/645218760.db2.gz ZCOBOYBKCXYJCR-INIZCTEOSA-N 2 1 268.445 2.201 20 0 CEADMP Cn1cc(CC[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000859212180 645421599 /nfs/dbraw/zinc/42/15/99/645421599.db2.gz HDHQJMHTKIKOTB-UHFFFAOYSA-N 2 1 286.423 2.156 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878236259 651042262 /nfs/dbraw/zinc/04/22/62/651042262.db2.gz VSBDKMXWDWMHHG-INIZCTEOSA-N 2 1 296.455 2.177 20 0 CEADMP COCCC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765973733 645829451 /nfs/dbraw/zinc/82/94/51/645829451.db2.gz DVUWXWJWIDNFHA-ZBFHGGJFSA-N 2 1 284.444 2.035 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878287751 651054054 /nfs/dbraw/zinc/05/40/54/651054054.db2.gz INMHECQCQDKXAN-HRCADAONSA-N 2 1 277.412 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878287751 651054056 /nfs/dbraw/zinc/05/40/56/651054056.db2.gz INMHECQCQDKXAN-HRCADAONSA-N 2 1 277.412 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878287752 651054307 /nfs/dbraw/zinc/05/43/07/651054307.db2.gz INMHECQCQDKXAN-JYJNAYRXSA-N 2 1 277.412 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878287752 651054311 /nfs/dbraw/zinc/05/43/11/651054311.db2.gz INMHECQCQDKXAN-JYJNAYRXSA-N 2 1 277.412 2.471 20 0 CEADMP C[C@H]1CCC[C@H](C[NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000768595336 646142482 /nfs/dbraw/zinc/14/24/82/646142482.db2.gz OVPYYUXFQDPHRO-IRXDYDNUSA-N 2 1 281.488 2.430 20 0 CEADMP Cc1cc(C)cc(C[N@H+](C)C[C@H](O)C[NH+]2CCCC2)c1 ZINC000769845923 646326412 /nfs/dbraw/zinc/32/64/12/646326412.db2.gz KBFSHYHTOLVVIV-KRWDZBQOSA-N 2 1 276.424 2.192 20 0 CEADMP Cc1cc(C)cc(C[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)c1 ZINC000769845923 646326418 /nfs/dbraw/zinc/32/64/18/646326418.db2.gz KBFSHYHTOLVVIV-KRWDZBQOSA-N 2 1 276.424 2.192 20 0 CEADMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000863542385 646751776 /nfs/dbraw/zinc/75/17/76/646751776.db2.gz QGGQVEQIMFXVDG-VOAKCMCISA-N 2 1 284.494 2.240 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000863556081 646755409 /nfs/dbraw/zinc/75/54/09/646755409.db2.gz ANPSYWFNSDUVQZ-AWEZNQCLSA-N 2 1 278.400 2.228 20 0 CEADMP Cc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000773933196 646787812 /nfs/dbraw/zinc/78/78/12/646787812.db2.gz AZHCEDSZSQKLMB-SJLPKXTDSA-N 2 1 290.451 2.315 20 0 CEADMP Cc1ccccc1C[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000773933196 646787814 /nfs/dbraw/zinc/78/78/14/646787814.db2.gz AZHCEDSZSQKLMB-SJLPKXTDSA-N 2 1 290.451 2.315 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=[NH2+])NCCC1CC1 ZINC000864451031 647006665 /nfs/dbraw/zinc/00/66/65/647006665.db2.gz VAYWSYCUEFCSFX-ZDUSSCGKSA-N 2 1 266.433 2.165 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000776167261 647029583 /nfs/dbraw/zinc/02/95/83/647029583.db2.gz LHGDJUANIAHDLS-MCIONIFRSA-N 2 1 284.494 2.218 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCOC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805612419 647251996 /nfs/dbraw/zinc/25/19/96/647251996.db2.gz PPIJLOHRDKIQFV-AWEZNQCLSA-N 2 1 282.428 2.278 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(CNC(C)=O)CC2)C1 ZINC000865428636 647288612 /nfs/dbraw/zinc/28/86/12/647288612.db2.gz XSCKQLCUEHWLGA-AQFXKWCLSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)OC1CC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000779165748 647293619 /nfs/dbraw/zinc/29/36/19/647293619.db2.gz FVZKGPKULHMXSA-AQFXKWCLSA-N 2 1 296.455 2.175 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCc1cccnc1 ZINC000866250857 647695435 /nfs/dbraw/zinc/69/54/35/647695435.db2.gz ITBPNEFADKNADR-CYBMUJFWSA-N 2 1 258.369 2.197 20 0 CEADMP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000866263168 647702550 /nfs/dbraw/zinc/70/25/50/647702550.db2.gz NNKNHFOJDAVGCN-ZBFHGGJFSA-N 2 1 261.413 2.334 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC[C@H]2CCOC2)cn1 ZINC000783598324 647735834 /nfs/dbraw/zinc/73/58/34/647735834.db2.gz YSRBJZKKPFWEQV-AWEZNQCLSA-N 2 1 286.379 2.092 20 0 CEADMP C(C[C@H]1CCSC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000866403832 647776021 /nfs/dbraw/zinc/77/60/21/647776021.db2.gz RMPRWOVHFKGTFT-GOEBONIOSA-N 2 1 298.496 2.363 20 0 CEADMP C[N@H+]1CC[C@@H]2CN([C@H]3CC[NH+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000866584610 647832839 /nfs/dbraw/zinc/83/28/39/647832839.db2.gz OYVIEQGOGXSNJK-QYZOEREBSA-N 2 1 299.462 2.287 20 0 CEADMP C[NH+]1CC[C@@H]2CN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000866584610 647832844 /nfs/dbraw/zinc/83/28/44/647832844.db2.gz OYVIEQGOGXSNJK-QYZOEREBSA-N 2 1 299.462 2.287 20 0 CEADMP C[NH+]1CC[C@@H]2CN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000866584610 647832847 /nfs/dbraw/zinc/83/28/47/647832847.db2.gz OYVIEQGOGXSNJK-QYZOEREBSA-N 2 1 299.462 2.287 20 0 CEADMP CC1(C)[C@@H]([NH3+])c2ccccc2N1CCC[NH+]1CCOCC1 ZINC000866701475 647874043 /nfs/dbraw/zinc/87/40/43/647874043.db2.gz KFRRLYOTLFROQH-INIZCTEOSA-N 2 1 289.423 2.007 20 0 CEADMP C[C@@H]1C[N@H+](CCN2c3ccccc3[C@H]([NH3+])C2(C)C)CCO1 ZINC000866701530 647874070 /nfs/dbraw/zinc/87/40/70/647874070.db2.gz LONOUZMJXZAIPH-CJNGLKHVSA-N 2 1 289.423 2.006 20 0 CEADMP C[C@@H]1C[N@@H+](CCN2c3ccccc3[C@H]([NH3+])C2(C)C)CCO1 ZINC000866701530 647874072 /nfs/dbraw/zinc/87/40/72/647874072.db2.gz LONOUZMJXZAIPH-CJNGLKHVSA-N 2 1 289.423 2.006 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000866708003 647878209 /nfs/dbraw/zinc/87/82/09/647878209.db2.gz KWJRTBFEYNLIAD-UKRRQHHQSA-N 2 1 254.418 2.252 20 0 CEADMP CC[NH+](CC)CCOC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786884592 648052910 /nfs/dbraw/zinc/05/29/10/648052910.db2.gz XELHMAPLTOMHAG-HNNXBMFYSA-N 2 1 282.428 2.278 20 0 CEADMP CCOC(=O)NC1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000790748589 648443691 /nfs/dbraw/zinc/44/36/91/648443691.db2.gz ZOSRBDOHVRBKPK-PPWQZUPISA-N 2 1 297.443 2.116 20 0 CEADMP CCOC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000790748589 648443694 /nfs/dbraw/zinc/44/36/94/648443694.db2.gz ZOSRBDOHVRBKPK-PPWQZUPISA-N 2 1 297.443 2.116 20 0 CEADMP Nc1cc(COC(=O)[C@H]2CCC[N@H+]2C2CCCC2)ccn1 ZINC000792234285 648628735 /nfs/dbraw/zinc/62/87/35/648628735.db2.gz BBPGLKIODCVGIW-CQSZACIVSA-N 2 1 289.379 2.114 20 0 CEADMP CC[C@H]1C[N@@H+](CCOc2ccc(C)cc2)CC[C@@H]1[NH3+] ZINC000122846426 648659690 /nfs/dbraw/zinc/65/96/90/648659690.db2.gz GWVGIXZUNXGGQS-HOCLYGCPSA-N 2 1 262.397 2.433 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)n(C)n1 ZINC000793527795 648770684 /nfs/dbraw/zinc/77/06/84/648770684.db2.gz VSLAZVGLHBKHBF-CQSZACIVSA-N 2 1 278.444 2.500 20 0 CEADMP CC1(C)CC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000793544654 648774156 /nfs/dbraw/zinc/77/41/56/648774156.db2.gz YUYSVDWBTHRIGI-LSDHHAIUSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CC[NH2+]CC2CC2)C1 ZINC000870867235 648937795 /nfs/dbraw/zinc/93/77/95/648937795.db2.gz JADZQANBWYTULI-HNNXBMFYSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870872695 648939222 /nfs/dbraw/zinc/93/92/22/648939222.db2.gz GYOOBYWCMOAKES-KFWWJZLASA-N 2 1 295.471 2.131 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCO1 ZINC000872032921 649247259 /nfs/dbraw/zinc/24/72/59/649247259.db2.gz CCGCXWOPEJECLA-QXSJWSMHSA-N 2 1 296.455 2.033 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCO1 ZINC000872032921 649247262 /nfs/dbraw/zinc/24/72/62/649247262.db2.gz CCGCXWOPEJECLA-QXSJWSMHSA-N 2 1 296.455 2.033 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCO1 ZINC000872032922 649247404 /nfs/dbraw/zinc/24/74/04/649247404.db2.gz CCGCXWOPEJECLA-UGUYLWEFSA-N 2 1 296.455 2.033 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CCO1 ZINC000872032922 649247407 /nfs/dbraw/zinc/24/74/07/649247407.db2.gz CCGCXWOPEJECLA-UGUYLWEFSA-N 2 1 296.455 2.033 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126068 649284915 /nfs/dbraw/zinc/28/49/15/649284915.db2.gz IULKOVZRMDHNSM-DDBAPUKQSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126068 649284921 /nfs/dbraw/zinc/28/49/21/649284921.db2.gz IULKOVZRMDHNSM-DDBAPUKQSA-N 2 1 288.435 2.258 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872141463 649290390 /nfs/dbraw/zinc/29/03/90/649290390.db2.gz HFYZJZQDPBBIDS-DPZMZDEHSA-N 2 1 264.413 2.288 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000872145151 649295742 /nfs/dbraw/zinc/29/57/42/649295742.db2.gz NEYCBBVXPAXJOI-BBRMVZONSA-N 2 1 268.445 2.498 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCOc1ccc(Cl)c(F)c1)C2 ZINC000872153811 649297747 /nfs/dbraw/zinc/29/77/47/649297747.db2.gz HTWITIOEAHVORK-XHDPSFHLSA-N 2 1 298.789 2.399 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCOc1ccc(Cl)c(F)c1)C2 ZINC000872153811 649297750 /nfs/dbraw/zinc/29/77/50/649297750.db2.gz HTWITIOEAHVORK-XHDPSFHLSA-N 2 1 298.789 2.399 20 0 CEADMP CCOc1ccc(C[N@@H+](C)CCCCCC[NH3+])nc1 ZINC000872155330 649298287 /nfs/dbraw/zinc/29/82/87/649298287.db2.gz IMSHDDARBJZBIZ-UHFFFAOYSA-N 2 1 265.401 2.431 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])[C@H]1CCc2ccccc2NC1=O ZINC000872155336 649299317 /nfs/dbraw/zinc/29/93/17/649299317.db2.gz JIJGUGXFQFPAJP-INIZCTEOSA-N 2 1 289.423 2.391 20 0 CEADMP CC1(C)[C@H]2[C@H](CCC[N@H+]2CCC[NH+]2CCCCC2)[C@@H]1O ZINC000872262044 649332736 /nfs/dbraw/zinc/33/27/36/649332736.db2.gz NRPROTXBBPDFGI-XHSDSOJGSA-N 2 1 280.456 2.344 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872274252 649338556 /nfs/dbraw/zinc/33/85/56/649338556.db2.gz QFBOJFTXTYCFDT-OAHLLOKOSA-N 2 1 297.487 2.393 20 0 CEADMP O=C1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CCN1 ZINC000873148933 649570677 /nfs/dbraw/zinc/57/06/77/649570677.db2.gz JTJCAJPSCLSKSS-ZBFHGGJFSA-N 2 1 293.455 2.042 20 0 CEADMP O=C1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CCN1 ZINC000873148933 649570678 /nfs/dbraw/zinc/57/06/78/649570678.db2.gz JTJCAJPSCLSKSS-ZBFHGGJFSA-N 2 1 293.455 2.042 20 0 CEADMP CC[N@H+]1C[C@H](C)N(Cc2cc3c(s2)CC[NH2+]C3)C[C@@H]1C ZINC000873208443 649589704 /nfs/dbraw/zinc/58/97/04/649589704.db2.gz NPCXNGTVOVVMPM-STQMWFEESA-N 2 1 293.480 2.308 20 0 CEADMP CCN1C[C@H](C)[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H]1C ZINC000873208443 649589709 /nfs/dbraw/zinc/58/97/09/649589709.db2.gz NPCXNGTVOVVMPM-STQMWFEESA-N 2 1 293.480 2.308 20 0 CEADMP CCN1C[C@H](C)[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H]1C ZINC000873208443 649589710 /nfs/dbraw/zinc/58/97/10/649589710.db2.gz NPCXNGTVOVVMPM-STQMWFEESA-N 2 1 293.480 2.308 20 0 CEADMP CCCC[C@@H](CN)[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211095 649591634 /nfs/dbraw/zinc/59/16/34/649591634.db2.gz VBFCXCKXDWBHCY-LBPRGKRZSA-N 2 1 267.442 2.001 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211095 649591638 /nfs/dbraw/zinc/59/16/38/649591638.db2.gz VBFCXCKXDWBHCY-LBPRGKRZSA-N 3 1 267.442 2.001 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1ccccc1-n1cncn1 ZINC000873231634 649602395 /nfs/dbraw/zinc/60/23/95/649602395.db2.gz UEJNAYQYTWQUHR-UHFFFAOYSA-N 2 1 287.411 2.218 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)C1CC[NH+](C)CC1 ZINC000873235248 649604225 /nfs/dbraw/zinc/60/42/25/649604225.db2.gz MQUDSGDDBWIBPJ-DZGCQCFKSA-N 3 1 267.461 2.085 20 0 CEADMP CC1(C)CC[C@@H](C[NH2+][C@H]2CCC23CCOCC3)[NH2+]C1 ZINC000873236756 649604626 /nfs/dbraw/zinc/60/46/26/649604626.db2.gz JNCWDQBPLAWFGG-KBPBESRZSA-N 2 1 266.429 2.313 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1noc2ccc(F)cc12 ZINC000873249455 649608786 /nfs/dbraw/zinc/60/87/86/649608786.db2.gz NJXAWAKBRMOTGL-GXFFZTMASA-N 2 1 277.343 2.445 20 0 CEADMP N[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000873262328 649615813 /nfs/dbraw/zinc/61/58/13/649615813.db2.gz WYECVHSIVMEISH-LKFLVWNSSA-N 2 1 271.408 2.251 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)C1CC[NH2+]CC1 ZINC000873269851 649619634 /nfs/dbraw/zinc/61/96/34/649619634.db2.gz LMXKRBDGXZQXOW-XFBWCDHKSA-N 2 1 259.397 2.109 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2noc3cc(F)ccc23)C1 ZINC000873276081 649621523 /nfs/dbraw/zinc/62/15/23/649621523.db2.gz QSDHEYBRDGMURC-MNOVXSKESA-N 2 1 263.316 2.326 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000873282696 649624895 /nfs/dbraw/zinc/62/48/95/649624895.db2.gz LGXQTEPGMBJSKC-STQMWFEESA-N 2 1 288.420 2.422 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(N)cc(F)c2)[C@H](C)C1 ZINC000873287428 649627727 /nfs/dbraw/zinc/62/77/27/649627727.db2.gz DYWBVILLYAVQDU-IAQYHMDHSA-N 2 1 265.376 2.228 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(N)cc(F)c2)[C@H](C)C1 ZINC000873287428 649627729 /nfs/dbraw/zinc/62/77/29/649627729.db2.gz DYWBVILLYAVQDU-IAQYHMDHSA-N 2 1 265.376 2.228 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(N)cc(F)c2)[C@H]2CCC[C@H]21 ZINC000873289657 649628105 /nfs/dbraw/zinc/62/81/05/649628105.db2.gz WMKKPJNASAWVHX-OWCLPIDISA-N 2 1 277.387 2.370 20 0 CEADMP Nc1cc(F)cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000873289677 649628724 /nfs/dbraw/zinc/62/87/24/649628724.db2.gz KJJKYHGFEDHJNL-ZIAGYGMSSA-N 2 1 251.349 2.158 20 0 CEADMP C=C/C=C/CC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000878671080 651159951 /nfs/dbraw/zinc/15/99/51/651159951.db2.gz ZAZFJSAYJOKAMG-AATRIKPKSA-N 2 1 266.429 2.191 20 0 CEADMP Fc1cccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000878746457 651177852 /nfs/dbraw/zinc/17/78/52/651177852.db2.gz ATLCNBGOUYQZDM-UHFFFAOYSA-N 2 1 286.354 2.328 20 0 CEADMP Fc1cccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000878746457 651177855 /nfs/dbraw/zinc/17/78/55/651177855.db2.gz ATLCNBGOUYQZDM-UHFFFAOYSA-N 2 1 286.354 2.328 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2CCC(C)(C)CO2)CCO1 ZINC000879000271 651225985 /nfs/dbraw/zinc/22/59/85/651225985.db2.gz APTQQRWWUKMAHY-HZPDHXFCSA-N 2 1 298.471 2.234 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H]2CCC(C)(C)CO2)CCO1 ZINC000879000271 651225986 /nfs/dbraw/zinc/22/59/86/651225986.db2.gz APTQQRWWUKMAHY-HZPDHXFCSA-N 2 1 298.471 2.234 20 0 CEADMP COCC[N@@H+](C[C@H]1CC(C)(C)CO1)CC1CC[NH+](C)CC1 ZINC000879126562 651247672 /nfs/dbraw/zinc/24/76/72/651247672.db2.gz JAAZSPUGEMVCNB-MRXNPFEDSA-N 2 1 298.471 2.092 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000879206560 651260403 /nfs/dbraw/zinc/26/04/03/651260403.db2.gz PDBLEURJFMJXIA-HNNXBMFYSA-N 2 1 294.439 2.280 20 0 CEADMP CN(CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)c1ccccc1 ZINC000879577425 651325413 /nfs/dbraw/zinc/32/54/13/651325413.db2.gz XTPRWXGGVLFIPZ-DOTOQJQBSA-N 2 1 273.424 2.149 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(C)(C)CO3)CC[C@H]21 ZINC000879578640 651325715 /nfs/dbraw/zinc/32/57/15/651325715.db2.gz GFJSXWZCJPDLRL-QLFBSQMISA-N 2 1 266.429 2.218 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(C)(C)CO3)CC[C@H]21 ZINC000879578640 651325717 /nfs/dbraw/zinc/32/57/17/651325717.db2.gz GFJSXWZCJPDLRL-QLFBSQMISA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC(C)(C)CO3)CC[C@H]21 ZINC000879578640 651325721 /nfs/dbraw/zinc/32/57/21/651325721.db2.gz GFJSXWZCJPDLRL-QLFBSQMISA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC(C)(C)CO3)CC[C@H]21 ZINC000879578640 651325723 /nfs/dbraw/zinc/32/57/23/651325723.db2.gz GFJSXWZCJPDLRL-QLFBSQMISA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579829 651325878 /nfs/dbraw/zinc/32/58/78/651325878.db2.gz BWDLZFLNRDGSNO-BRWVUGGUSA-N 2 1 279.472 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579829 651325880 /nfs/dbraw/zinc/32/58/80/651325880.db2.gz BWDLZFLNRDGSNO-BRWVUGGUSA-N 2 1 279.472 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579829 651325882 /nfs/dbraw/zinc/32/58/82/651325882.db2.gz BWDLZFLNRDGSNO-BRWVUGGUSA-N 2 1 279.472 2.275 20 0 CEADMP CCC(O)(CC)C(C)(C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000879698388 651340877 /nfs/dbraw/zinc/34/08/77/651340877.db2.gz WUNVMYQBSYRKQS-ZDUSSCGKSA-N 2 1 256.434 2.390 20 0 CEADMP CC(C)OC[C@H](O)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879947606 651363616 /nfs/dbraw/zinc/36/36/16/651363616.db2.gz JUEGJGMAUGJLFB-MRXNPFEDSA-N 2 1 298.471 2.113 20 0 CEADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCC[NH+]1CCCCC1 ZINC000880136184 651389589 /nfs/dbraw/zinc/38/95/89/651389589.db2.gz HJNZLJGYUHZNEC-JKSUJKDBSA-N 2 1 265.445 2.031 20 0 CEADMP Cc1cncc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC000880258818 651411382 /nfs/dbraw/zinc/41/13/82/651411382.db2.gz CQGFFYMEPSTELO-OAHLLOKOSA-N 2 1 282.391 2.496 20 0 CEADMP Cc1cncc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC000880258818 651411384 /nfs/dbraw/zinc/41/13/84/651411384.db2.gz CQGFFYMEPSTELO-OAHLLOKOSA-N 2 1 282.391 2.496 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473792 651446997 /nfs/dbraw/zinc/44/69/97/651446997.db2.gz ONPZFMVYAKLUPR-HNNXBMFYSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@@H+]1[C@H](C)CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000880609033 651470576 /nfs/dbraw/zinc/47/05/76/651470576.db2.gz OREVLZZSGHIXSH-GASCZTMLSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@](C)(CC(=O)OC)[NH2+]CCCCn1cc[nH+]c1C ZINC000129245032 651890539 /nfs/dbraw/zinc/89/05/39/651890539.db2.gz JRLJAFJMTFTFKQ-OAHLLOKOSA-N 2 1 281.400 2.293 20 0 CEADMP Cc1cc(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nc(C)[nH+]1 ZINC000882821939 652229690 /nfs/dbraw/zinc/22/96/90/652229690.db2.gz OWASDBFZLXQNSD-ZDUSSCGKSA-N 2 1 283.379 2.204 20 0 CEADMP O=c1oc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2o1 ZINC000882897543 652257665 /nfs/dbraw/zinc/25/76/65/652257665.db2.gz LTPXLRHJHMQGBV-STQMWFEESA-N 2 1 288.347 2.102 20 0 CEADMP O=c1oc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2o1 ZINC000882897543 652257667 /nfs/dbraw/zinc/25/76/67/652257667.db2.gz LTPXLRHJHMQGBV-STQMWFEESA-N 2 1 288.347 2.102 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2CCOC3)C1 ZINC000882899762 652259574 /nfs/dbraw/zinc/25/95/74/652259574.db2.gz VWRGPXACDLAEGE-AWEZNQCLSA-N 2 1 274.408 2.191 20 0 CEADMP CC[N@H+]1CC[C@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000883354320 652439300 /nfs/dbraw/zinc/43/93/00/652439300.db2.gz RTGHGHWYZAKDTA-KRWDZBQOSA-N 2 1 279.472 2.467 20 0 CEADMP CCN1CC[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000883354320 652439302 /nfs/dbraw/zinc/43/93/02/652439302.db2.gz RTGHGHWYZAKDTA-KRWDZBQOSA-N 2 1 279.472 2.467 20 0 CEADMP c1ccc2c(c1)C[N@@H+](CC1CC[NH2+]CC1)C[C@@H]1CCCN21 ZINC000883412629 652460777 /nfs/dbraw/zinc/46/07/77/652460777.db2.gz KHQLLJTXRAMAMS-KRWDZBQOSA-N 2 1 285.435 2.471 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)C1CCCCC1 ZINC000883429682 652467194 /nfs/dbraw/zinc/46/71/94/652467194.db2.gz BNFZWARQLVZYIT-HZPDHXFCSA-N 2 1 296.455 2.212 20 0 CEADMP CNC(=O)c1ccc(C[N@H+](C)C2(C[NH3+])CCCCC2)cc1 ZINC000883454281 652475460 /nfs/dbraw/zinc/47/54/60/652475460.db2.gz VVFROBFJGBEENQ-UHFFFAOYSA-N 2 1 289.423 2.140 20 0 CEADMP CNC(=O)c1ccc(C[N@@H+](C)C2(C[NH3+])CCCCC2)cc1 ZINC000883454281 652475463 /nfs/dbraw/zinc/47/54/63/652475463.db2.gz VVFROBFJGBEENQ-UHFFFAOYSA-N 2 1 289.423 2.140 20 0 CEADMP COc1cccc([C@@H]2CNCC[N@@H+]2CCCCCC[NH3+])c1 ZINC000883454467 652475571 /nfs/dbraw/zinc/47/55/71/652475571.db2.gz CGCPAQPDSKDWKK-KRWDZBQOSA-N 2 1 291.439 2.161 20 0 CEADMP COc1cccc([C@@H]2CNCC[N@H+]2CCCCCC[NH3+])c1 ZINC000883454467 652475573 /nfs/dbraw/zinc/47/55/73/652475573.db2.gz CGCPAQPDSKDWKK-KRWDZBQOSA-N 2 1 291.439 2.161 20 0 CEADMP C[C@@H](C(=O)OCCC[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000800171704 652672210 /nfs/dbraw/zinc/67/22/10/652672210.db2.gz SVOPWABGRSRGQP-ZNMIVQPWSA-N 2 1 282.428 2.277 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000884394514 652832329 /nfs/dbraw/zinc/83/23/29/652832329.db2.gz HPOXDQGULUEEPP-KBPBESRZSA-N 2 1 297.487 2.233 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885923372 653069699 /nfs/dbraw/zinc/06/96/99/653069699.db2.gz YQIQWWVDEUNNKK-MRXNPFEDSA-N 2 1 298.471 2.426 20 0 CEADMP C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[N@H+]1C ZINC001167994761 805597148 /nfs/dbraw/zinc/59/71/48/805597148.db2.gz NOCSDKKMTSWGDH-KTFSGNIMSA-N 2 1 277.456 2.028 20 0 CEADMP C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[NH+]1C ZINC001167994761 805597154 /nfs/dbraw/zinc/59/71/54/805597154.db2.gz NOCSDKKMTSWGDH-KTFSGNIMSA-N 2 1 277.456 2.028 20 0 CEADMP C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH+]1C ZINC001167994761 805597159 /nfs/dbraw/zinc/59/71/59/805597159.db2.gz NOCSDKKMTSWGDH-KTFSGNIMSA-N 2 1 277.456 2.028 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)OC1 ZINC000715013922 814924898 /nfs/dbraw/zinc/92/48/98/814924898.db2.gz FDYRNMNZTHMETJ-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)=CC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168029942 805822082 /nfs/dbraw/zinc/82/20/82/805822082.db2.gz KSHOUMFQCOFEQR-HZPDHXFCSA-N 2 1 293.455 2.065 20 0 CEADMP Cc1c[nH+]c(Nc2ccc(N3CC[NH2+]CC3)cc2)c(N)c1 ZINC001213258064 806520516 /nfs/dbraw/zinc/52/05/16/806520516.db2.gz SGWCWQHDGPARBB-UHFFFAOYSA-N 2 1 283.379 2.125 20 0 CEADMP CCCCC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001272178806 806570069 /nfs/dbraw/zinc/57/00/69/806570069.db2.gz QQYBIDXPAWDYNI-HOTGVXAUSA-N 2 1 297.487 2.440 20 0 CEADMP C[NH+](C)C1CCC([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001168314097 806645789 /nfs/dbraw/zinc/64/57/89/806645789.db2.gz JTFGHFALHFZOKI-XVSSEFHLSA-N 2 1 258.356 2.446 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC(C)(C)C[C@]2(C)CO)CC1 ZINC001168313715 806645987 /nfs/dbraw/zinc/64/59/87/806645987.db2.gz GGDRHOCMEJAWAN-ZBCRRDGASA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[NH+]1CCN(C2CCC([NH+](C)C)CC2)CC1 ZINC001168318826 806650034 /nfs/dbraw/zinc/65/00/34/806650034.db2.gz HOLALTIOVCJKCA-UHFFFAOYSA-N 2 1 267.461 2.133 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC001168322388 806652801 /nfs/dbraw/zinc/65/28/01/806652801.db2.gz ADMXXMQPOGEEHK-UHFFFAOYSA-N 3 1 267.461 2.133 20 0 CEADMP CCO[C@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168323196 806653959 /nfs/dbraw/zinc/65/39/59/806653959.db2.gz UQGXHZPVPJYQHW-NRXISQOPSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+](C)C1CCC(N2CC[N@@H+](C)CC23CCCC3)CC1 ZINC001168328647 806657895 /nfs/dbraw/zinc/65/78/95/806657895.db2.gz AOIZWKRYIQQQIU-UHFFFAOYSA-N 2 1 279.472 2.419 20 0 CEADMP CC(C)N1CC[N@H+](C2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC001168329733 806659174 /nfs/dbraw/zinc/65/91/74/806659174.db2.gz FYBYAFKPEIUBNT-FHERZECASA-N 2 1 267.461 2.274 20 0 CEADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266246857 802316576 /nfs/dbraw/zinc/31/65/76/802316576.db2.gz XSNYYNSXYZOOSR-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001266251820 802319676 /nfs/dbraw/zinc/31/96/76/802319676.db2.gz HBPKKGUZHQCFRT-INIZCTEOSA-N 2 1 295.471 2.243 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CC2(C)CCOCC2)CC1 ZINC001207969485 802333387 /nfs/dbraw/zinc/33/33/87/802333387.db2.gz LJIRIFCRJVKQDM-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CC2(C)CCOCC2)CC1 ZINC001207969485 802333397 /nfs/dbraw/zinc/33/33/97/802333397.db2.gz LJIRIFCRJVKQDM-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)O[C@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208108299 802340700 /nfs/dbraw/zinc/34/07/00/802340700.db2.gz DHMXCTZNOVDQDJ-AWEZNQCLSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)[N@H+](C[C@@H]1CCC[NH+](C)C1)C1CCN(C)CC1 ZINC001208614413 802390812 /nfs/dbraw/zinc/39/08/12/802390812.db2.gz DGAUWBOKUXYOJT-OAHLLOKOSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[N@@H+](C[C@@H]1CCC[NH+](C)C1)C1CCN(C)CC1 ZINC001208614413 802390822 /nfs/dbraw/zinc/39/08/22/802390822.db2.gz DGAUWBOKUXYOJT-OAHLLOKOSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[NH+](C[C@@H]1CCC[N@H+](C)C1)C1CCN(C)CC1 ZINC001208614413 802390836 /nfs/dbraw/zinc/39/08/36/802390836.db2.gz DGAUWBOKUXYOJT-OAHLLOKOSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[NH+](C[C@@H]1CCC[N@@H+](C)C1)C1CCN(C)CC1 ZINC001208614413 802390845 /nfs/dbraw/zinc/39/08/45/802390845.db2.gz DGAUWBOKUXYOJT-OAHLLOKOSA-N 2 1 267.461 2.133 20 0 CEADMP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001266308223 802424414 /nfs/dbraw/zinc/42/44/14/802424414.db2.gz RSXSNSLZXGBGDG-DKLOGILVSA-N 2 1 293.455 2.018 20 0 CEADMP CCC/C=C/CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001266308223 802424416 /nfs/dbraw/zinc/42/44/16/802424416.db2.gz RSXSNSLZXGBGDG-DKLOGILVSA-N 2 1 293.455 2.018 20 0 CEADMP CCC/C=C/CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001266308223 802424418 /nfs/dbraw/zinc/42/44/18/802424418.db2.gz RSXSNSLZXGBGDG-DKLOGILVSA-N 2 1 293.455 2.018 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001209005992 802448218 /nfs/dbraw/zinc/44/82/18/802448218.db2.gz XIYDJRVSFOBMDZ-CQSZACIVSA-N 2 1 299.459 2.269 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001209005992 802448208 /nfs/dbraw/zinc/44/82/08/802448208.db2.gz XIYDJRVSFOBMDZ-CQSZACIVSA-N 2 1 299.459 2.269 20 0 CEADMP CC[N@H+](CC=C(C)C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001266396568 802522669 /nfs/dbraw/zinc/52/26/69/802522669.db2.gz JNTOIIOTHHZLGQ-MRXNPFEDSA-N 2 1 295.471 2.265 20 0 CEADMP CC[NH+](CC=C(C)C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266396568 802522671 /nfs/dbraw/zinc/52/26/71/802522671.db2.gz JNTOIIOTHHZLGQ-MRXNPFEDSA-N 2 1 295.471 2.265 20 0 CEADMP CC[NH+](CC=C(C)C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001266396568 802522673 /nfs/dbraw/zinc/52/26/73/802522673.db2.gz JNTOIIOTHHZLGQ-MRXNPFEDSA-N 2 1 295.471 2.265 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000693011121 802528426 /nfs/dbraw/zinc/52/84/26/802528426.db2.gz WAWSHAQILBGFFY-UKRRQHHQSA-N 2 1 259.397 2.390 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000693011121 802528428 /nfs/dbraw/zinc/52/84/28/802528428.db2.gz WAWSHAQILBGFFY-UKRRQHHQSA-N 2 1 259.397 2.390 20 0 CEADMP C[N@@H+](C[C@H]1CC[C@@H](C(F)(F)F)O1)C1CCC([NH3+])CC1 ZINC000721425407 802615528 /nfs/dbraw/zinc/61/55/28/802615528.db2.gz JIWKMZZWEUNHQS-HCWSGVFWSA-N 2 1 280.334 2.298 20 0 CEADMP CCCCC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266488648 802627768 /nfs/dbraw/zinc/62/77/68/802627768.db2.gz MVLHBOKAEHPZKI-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266488648 802627771 /nfs/dbraw/zinc/62/77/71/802627771.db2.gz MVLHBOKAEHPZKI-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266488648 802627773 /nfs/dbraw/zinc/62/77/73/802627773.db2.gz MVLHBOKAEHPZKI-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)C[C@H]1C[NH3+] ZINC000721440222 802650166 /nfs/dbraw/zinc/65/01/66/802650166.db2.gz BRKWAEGXZQNOMX-WYUUTHIRSA-N 2 1 280.334 2.013 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)C[C@H]1C[NH3+] ZINC000721440222 802650170 /nfs/dbraw/zinc/65/01/70/802650170.db2.gz BRKWAEGXZQNOMX-WYUUTHIRSA-N 2 1 280.334 2.013 20 0 CEADMP COc1ccc(NC[C@@]2(F)CCCC[NH2+]C2)[nH+]c1C ZINC001162587547 809679731 /nfs/dbraw/zinc/67/97/31/809679731.db2.gz UCDNZWIFXQOINE-CQSZACIVSA-N 2 1 267.348 2.292 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000693128816 802659278 /nfs/dbraw/zinc/65/92/78/802659278.db2.gz ZOXDBGITUGPENC-ZDUSSCGKSA-N 2 1 260.381 2.053 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000693128816 802659282 /nfs/dbraw/zinc/65/92/82/802659282.db2.gz ZOXDBGITUGPENC-ZDUSSCGKSA-N 2 1 260.381 2.053 20 0 CEADMP C[C@H]1CC[N@H+]1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397545680 802663357 /nfs/dbraw/zinc/66/33/57/802663357.db2.gz YFLJZKQUQOBXMR-HNNXBMFYSA-N 2 1 274.408 2.108 20 0 CEADMP [NH3+]Cc1cnc2c(ccn2-c2cccn3c[nH+]cc23)c1 ZINC001167316150 802679300 /nfs/dbraw/zinc/67/93/00/802679300.db2.gz HDKZLVDIHSCMTA-UHFFFAOYSA-N 2 1 263.304 2.132 20 0 CEADMP O[C@@H](C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)CC(F)(F)F ZINC000710282976 809986392 /nfs/dbraw/zinc/98/63/92/809986392.db2.gz SOEPWMPXTLOKBU-QWHCGFSZSA-N 2 1 294.361 2.011 20 0 CEADMP CC(C)n1ccc(C[N@@H+](C)CCCCCC[NH3+])n1 ZINC000710769290 809992480 /nfs/dbraw/zinc/99/24/80/809992480.db2.gz YSLXFERKCGWTPO-UHFFFAOYSA-N 2 1 252.406 2.415 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@@H](O)CC1CCCC1 ZINC000710779022 809992816 /nfs/dbraw/zinc/99/28/16/809992816.db2.gz FPCXUEHGKBLOHR-HNNXBMFYSA-N 2 1 256.434 2.379 20 0 CEADMP CC(C)Cc1noc(C[N@H+](C)CCCCCC[NH3+])n1 ZINC000710820267 809994410 /nfs/dbraw/zinc/99/44/10/809994410.db2.gz VVALKFUWYKSSIR-UHFFFAOYSA-N 2 1 268.405 2.219 20 0 CEADMP CC(C)Cc1noc(C[N@@H+](C)CCCCCC[NH3+])n1 ZINC000710820267 809994414 /nfs/dbraw/zinc/99/44/14/809994414.db2.gz VVALKFUWYKSSIR-UHFFFAOYSA-N 2 1 268.405 2.219 20 0 CEADMP C[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CC(C)(C)O1 ZINC000710850879 809996466 /nfs/dbraw/zinc/99/64/66/809996466.db2.gz KHASMDOOWHGXCI-NSHDSACASA-N 2 1 280.437 2.393 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CC(C)(C)O1 ZINC000710850879 809996470 /nfs/dbraw/zinc/99/64/70/809996470.db2.gz KHASMDOOWHGXCI-NSHDSACASA-N 2 1 280.437 2.393 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000711832635 810098909 /nfs/dbraw/zinc/09/89/09/810098909.db2.gz KHWNURAZWWSVJV-PBHICJAKSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@@H]1C[C@@H](n2cncc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398166398 802807076 /nfs/dbraw/zinc/80/70/76/802807076.db2.gz DNABWYZOKBCPQN-UKRRQHHQSA-N 2 1 270.380 2.177 20 0 CEADMP C[N@H+]1CCC[C@H](N[C@@H]2[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC1 ZINC000398311871 802825041 /nfs/dbraw/zinc/82/50/41/802825041.db2.gz TYGYJTZYNOHWMO-INDMIFKZSA-N 2 1 299.462 2.191 20 0 CEADMP C[NH+]1CCC[C@H](N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000398311871 802825048 /nfs/dbraw/zinc/82/50/48/802825048.db2.gz TYGYJTZYNOHWMO-INDMIFKZSA-N 2 1 299.462 2.191 20 0 CEADMP C[NH+]1CCC[C@H](N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000398311871 802825052 /nfs/dbraw/zinc/82/50/52/802825052.db2.gz TYGYJTZYNOHWMO-INDMIFKZSA-N 2 1 299.462 2.191 20 0 CEADMP CC/C=C/CC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266761263 802885882 /nfs/dbraw/zinc/88/58/82/802885882.db2.gz WWIADTQPGSPIMH-JFDDCEBESA-N 2 1 295.471 2.123 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000723703643 802926631 /nfs/dbraw/zinc/92/66/31/802926631.db2.gz SFDJFLTUBAVEKE-VHSXEESVSA-N 2 1 251.201 2.241 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)C[C@H]1CC[NH3+] ZINC000723881858 802963064 /nfs/dbraw/zinc/96/30/64/802963064.db2.gz CMWBGPIBJUYHEA-MCIONIFRSA-N 2 1 254.418 2.251 20 0 CEADMP OCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000399165627 802972031 /nfs/dbraw/zinc/97/20/31/802972031.db2.gz GTUKOJHZXGHORZ-AAEUAGOBSA-N 2 1 294.361 2.154 20 0 CEADMP C[C@@H](Cc1ccccc1Cl)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399202844 802978091 /nfs/dbraw/zinc/97/80/91/802978091.db2.gz USVVTGSJJCGVCJ-ZDUSSCGKSA-N 2 1 296.842 2.317 20 0 CEADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399189826 802978133 /nfs/dbraw/zinc/97/81/33/802978133.db2.gz PIDVZNKSRHWWNH-CYBMUJFWSA-N 2 1 296.842 2.317 20 0 CEADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)[C@H]1CCCOC1 ZINC000723971069 802980802 /nfs/dbraw/zinc/98/08/02/802980802.db2.gz ZYSIZCDOALJGTN-GJZGRUSLSA-N 2 1 265.401 2.376 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000403545175 803023637 /nfs/dbraw/zinc/02/36/37/803023637.db2.gz AHHITNJRLJOXFG-FUDCBSFHSA-N 2 1 254.443 2.344 20 0 CEADMP FC(F)(F)[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCS1 ZINC000721487205 803029262 /nfs/dbraw/zinc/02/92/62/803029262.db2.gz QGPPGQZYWWIVES-YATPEIPISA-N 2 1 294.386 2.497 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001267021896 803064891 /nfs/dbraw/zinc/06/48/91/803064891.db2.gz BVSKDCQDOXWTGO-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)=CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167628276 803217389 /nfs/dbraw/zinc/21/73/89/803217389.db2.gz YNUJSWPSIWOPFG-INIZCTEOSA-N 2 1 295.471 2.311 20 0 CEADMP CC(C)=CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001267220912 803245807 /nfs/dbraw/zinc/24/58/07/803245807.db2.gz LTXKZGAEIQNFOY-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[NH+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001267220912 803245810 /nfs/dbraw/zinc/24/58/10/803245810.db2.gz LTXKZGAEIQNFOY-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[NH+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267220912 803245812 /nfs/dbraw/zinc/24/58/12/803245812.db2.gz LTXKZGAEIQNFOY-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1[nH]c(C)[nH+]c1C ZINC000724789691 803295241 /nfs/dbraw/zinc/29/52/41/803295241.db2.gz RZAZKQPCEYAPMP-KGLIPLIRSA-N 2 1 262.401 2.085 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1[nH]c(C)[nH+]c1C ZINC000724789691 803295248 /nfs/dbraw/zinc/29/52/48/803295248.db2.gz RZAZKQPCEYAPMP-KGLIPLIRSA-N 2 1 262.401 2.085 20 0 CEADMP CCCCCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001100904833 814204311 /nfs/dbraw/zinc/20/43/11/814204311.db2.gz JPSWSRKUYMXQJB-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC2CCCC2)CC1 ZINC001203208077 803559901 /nfs/dbraw/zinc/55/99/01/803559901.db2.gz BTLTYRXIONDLND-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CC/C=C\CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001267590544 803576754 /nfs/dbraw/zinc/57/67/54/803576754.db2.gz WPZIMCLRJISZSD-WLMCBFPDSA-N 2 1 295.471 2.075 20 0 CEADMP CCCC[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001167733307 803698731 /nfs/dbraw/zinc/69/87/31/803698731.db2.gz ZFVAUXCZBNOPPU-HNNXBMFYSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](C3CC3)O2)CC[N@H+]1C ZINC000715477641 814959265 /nfs/dbraw/zinc/95/92/65/814959265.db2.gz BLMPQIXDDXWWTP-NGFQHRJXSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000709358558 803827984 /nfs/dbraw/zinc/82/79/84/803827984.db2.gz XUUWBXYVZLJZMZ-NXHRZFHOSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000709358558 803827990 /nfs/dbraw/zinc/82/79/90/803827990.db2.gz XUUWBXYVZLJZMZ-NXHRZFHOSA-N 3 1 287.451 2.239 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000709358558 803827997 /nfs/dbraw/zinc/82/79/97/803827997.db2.gz XUUWBXYVZLJZMZ-NXHRZFHOSA-N 3 1 287.451 2.239 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001027985499 804380811 /nfs/dbraw/zinc/38/08/11/804380811.db2.gz JGYPOMAFBVPBDJ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001027985499 804380819 /nfs/dbraw/zinc/38/08/19/804380819.db2.gz JGYPOMAFBVPBDJ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001027985499 804380827 /nfs/dbraw/zinc/38/08/27/804380827.db2.gz JGYPOMAFBVPBDJ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1cnccn1 ZINC001167825411 804384471 /nfs/dbraw/zinc/38/44/71/804384471.db2.gz IRKVYEDKMRZOFK-AWEZNQCLSA-N 2 1 264.417 2.419 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000336802017 804394916 /nfs/dbraw/zinc/39/49/16/804394916.db2.gz SGXXSKNZGXOURG-OAHLLOKOSA-N 2 1 262.401 2.073 20 0 CEADMP N=C(Nc1ccc(F)c(C[NH+]2CCCC2)c1)SCC[NH3+] ZINC001167916907 804756091 /nfs/dbraw/zinc/75/60/91/804756091.db2.gz ZWQXTVJZPRBLJS-UHFFFAOYSA-N 2 1 296.415 2.460 20 0 CEADMP CC(C)CC[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001268704691 804934821 /nfs/dbraw/zinc/93/48/21/804934821.db2.gz NIAFKVRLYNAKRF-AWEZNQCLSA-N 2 1 285.476 2.105 20 0 CEADMP CC(C)=CC[N@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001268749331 804959076 /nfs/dbraw/zinc/95/90/76/804959076.db2.gz VJMVNXHUUIIXGE-HNNXBMFYSA-N 2 1 295.471 2.121 20 0 CEADMP CCOC(CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)OCC ZINC001118805456 815047030 /nfs/dbraw/zinc/04/70/30/815047030.db2.gz ZNHALGPBMVBWBU-CYBMUJFWSA-N 2 1 272.433 2.238 20 0 CEADMP CC/C=C\CC[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001269249753 805101673 /nfs/dbraw/zinc/10/16/73/805101673.db2.gz UBHXLJKAFUXHKW-AWFCHZOYSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001269249753 805101677 /nfs/dbraw/zinc/10/16/77/805101677.db2.gz UBHXLJKAFUXHKW-AWFCHZOYSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001269249753 805101680 /nfs/dbraw/zinc/10/16/80/805101680.db2.gz UBHXLJKAFUXHKW-AWFCHZOYSA-N 2 1 293.455 2.018 20 0 CEADMP CCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001269278851 805111404 /nfs/dbraw/zinc/11/14/04/805111404.db2.gz QECZAGZOKQZPPE-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001269278851 805111406 /nfs/dbraw/zinc/11/14/06/805111406.db2.gz QECZAGZOKQZPPE-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001269278851 805111410 /nfs/dbraw/zinc/11/14/10/805111410.db2.gz QECZAGZOKQZPPE-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[N@H+]1CC[C@@H]1CNC(=O)C[C@H](C)n1ccnc1 ZINC001269309755 805123476 /nfs/dbraw/zinc/12/34/76/805123476.db2.gz JACFLMFVRWZPGX-LSDHHAIUSA-N 2 1 292.427 2.215 20 0 CEADMP CCO[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168390016 807053139 /nfs/dbraw/zinc/05/31/39/807053139.db2.gz DJLJLSNUQHMWRY-INIZCTEOSA-N 2 1 266.429 2.362 20 0 CEADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167952261 805183515 /nfs/dbraw/zinc/18/35/15/805183515.db2.gz NCYSPEWBFKOBAJ-YALNPMBYSA-N 2 1 278.440 2.360 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845567 805303199 /nfs/dbraw/zinc/30/31/99/805303199.db2.gz MTBBMFBNVKFOMR-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845567 805303208 /nfs/dbraw/zinc/30/32/08/805303208.db2.gz MTBBMFBNVKFOMR-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845567 805303218 /nfs/dbraw/zinc/30/32/18/805303218.db2.gz MTBBMFBNVKFOMR-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](CC)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959927 805316973 /nfs/dbraw/zinc/31/69/73/805316973.db2.gz VLNGNORZRJJFST-ALOPSCKCSA-N 2 1 279.472 2.323 20 0 CEADMP Cc1nn(C)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964478 805449343 /nfs/dbraw/zinc/44/93/43/805449343.db2.gz QWLWWEUBCDSIIM-ALOPSCKCSA-N 2 1 288.439 2.224 20 0 CEADMP Cc1nn(C)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964478 805449347 /nfs/dbraw/zinc/44/93/47/805449347.db2.gz QWLWWEUBCDSIIM-ALOPSCKCSA-N 2 1 288.439 2.224 20 0 CEADMP OCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCC1 ZINC001167965689 805465999 /nfs/dbraw/zinc/46/59/99/805465999.db2.gz KXPILMHMMHZQGC-MQVJKMGUSA-N 2 1 278.440 2.287 20 0 CEADMP [NH3+]Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001167972871 805502181 /nfs/dbraw/zinc/50/21/81/805502181.db2.gz DEYIXUDEWFFMLH-ALOPSCKCSA-N 2 1 286.423 2.358 20 0 CEADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@@H]1O ZINC001167982793 805518017 /nfs/dbraw/zinc/51/80/17/805518017.db2.gz AOQFZBHQLMKRTH-HYMJZGCSSA-N 2 1 278.440 2.095 20 0 CEADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@@H]1O ZINC001167982793 805518022 /nfs/dbraw/zinc/51/80/22/805518022.db2.gz AOQFZBHQLMKRTH-HYMJZGCSSA-N 2 1 278.440 2.095 20 0 CEADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@@H]1O ZINC001167982793 805518026 /nfs/dbraw/zinc/51/80/26/805518026.db2.gz AOQFZBHQLMKRTH-HYMJZGCSSA-N 2 1 278.440 2.095 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC1CCCC1 ZINC001127081903 807013038 /nfs/dbraw/zinc/01/30/38/807013038.db2.gz FRBYJGAUITTZCN-INIZCTEOSA-N 2 1 295.471 2.145 20 0 CEADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC001232143587 807223111 /nfs/dbraw/zinc/22/31/11/807223111.db2.gz AZNBKDGFRCWLIO-MRXNPFEDSA-N 2 1 280.387 2.234 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001088951777 807291991 /nfs/dbraw/zinc/29/19/91/807291991.db2.gz GRXQQYLIMKKKOY-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)CO2)CC[C@@H]1[NH3+] ZINC000716276204 815108951 /nfs/dbraw/zinc/10/89/51/815108951.db2.gz COMRSLDCQYGOLI-MCIONIFRSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CCC3)CO2)CC[N@H+]1C ZINC000716292387 815110818 /nfs/dbraw/zinc/11/08/18/815110818.db2.gz YZWDSGLRJNYNJF-ILXRZTDVSA-N 2 1 266.429 2.408 20 0 CEADMP COc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1OC ZINC001205093543 807569394 /nfs/dbraw/zinc/56/93/94/807569394.db2.gz BMTCJKUYMLCIOE-CYBMUJFWSA-N 2 1 264.369 2.017 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1OC ZINC001205093543 807569397 /nfs/dbraw/zinc/56/93/97/807569397.db2.gz BMTCJKUYMLCIOE-CYBMUJFWSA-N 2 1 264.369 2.017 20 0 CEADMP [NH3+]CCc1c[nH+]cn1[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171447915 815130421 /nfs/dbraw/zinc/13/04/21/815130421.db2.gz ILEVMASOPVQNKY-LBPRGKRZSA-N 2 1 277.318 2.393 20 0 CEADMP [NH3+][C@H]1CCC[N@H+](Cc2cccc(N3CCCCC3)n2)CC1 ZINC001205123698 807715206 /nfs/dbraw/zinc/71/52/06/807715206.db2.gz FGSIVJCGKIAMAM-HNNXBMFYSA-N 2 1 288.439 2.385 20 0 CEADMP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(N3CCCCC3)n2)CC1 ZINC001205123698 807715211 /nfs/dbraw/zinc/71/52/11/807715211.db2.gz FGSIVJCGKIAMAM-HNNXBMFYSA-N 2 1 288.439 2.385 20 0 CEADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171540389 815187133 /nfs/dbraw/zinc/18/71/33/815187133.db2.gz YJOSMJPUQWDDCA-ZBFHGGJFSA-N 2 1 295.471 2.145 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H](F)[C@H](O)C2)CC1(C)C ZINC001171632259 815201238 /nfs/dbraw/zinc/20/12/38/815201238.db2.gz YCVUGVYOWAENQV-QWHCGFSZSA-N 2 1 272.408 2.043 20 0 CEADMP C[N@H+]1CCC[C@H]1CNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619804 815204910 /nfs/dbraw/zinc/20/49/10/815204910.db2.gz QXEIJNMAYXGQOH-AWEZNQCLSA-N 2 1 267.461 2.322 20 0 CEADMP CN1CCC[C@H]1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619804 815204915 /nfs/dbraw/zinc/20/49/15/815204915.db2.gz QXEIJNMAYXGQOH-AWEZNQCLSA-N 2 1 267.461 2.322 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[NH+]2CC)C1 ZINC001120438506 815223041 /nfs/dbraw/zinc/22/30/41/815223041.db2.gz AVRIXOUODHGTDK-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC)C1 ZINC001120438506 815223045 /nfs/dbraw/zinc/22/30/45/815223045.db2.gz AVRIXOUODHGTDK-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC)C1 ZINC001120438506 815223052 /nfs/dbraw/zinc/22/30/52/815223052.db2.gz AVRIXOUODHGTDK-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001272769415 808640645 /nfs/dbraw/zinc/64/06/45/808640645.db2.gz CFCGWKBCSVMSIC-JYJNAYRXSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H]1C[C@H](N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171758865 815225979 /nfs/dbraw/zinc/22/59/79/815225979.db2.gz CAOISRZVQDSMEP-DSLXNQLJSA-N 2 1 299.462 2.285 20 0 CEADMP C[C@H]1C[C@H](N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171758865 815225982 /nfs/dbraw/zinc/22/59/82/815225982.db2.gz CAOISRZVQDSMEP-DSLXNQLJSA-N 2 1 299.462 2.285 20 0 CEADMP C[C@H]1C[C@H](N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171758865 815225986 /nfs/dbraw/zinc/22/59/86/815225986.db2.gz CAOISRZVQDSMEP-DSLXNQLJSA-N 2 1 299.462 2.285 20 0 CEADMP CCN(C1C[NH+](C)C1)[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171768832 815228139 /nfs/dbraw/zinc/22/81/39/815228139.db2.gz XFDSHCZWOQPUOA-DOTOQJQBSA-N 2 1 287.451 2.285 20 0 CEADMP CCN(C1C[NH+](C)C1)[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171768832 815228142 /nfs/dbraw/zinc/22/81/42/815228142.db2.gz XFDSHCZWOQPUOA-DOTOQJQBSA-N 2 1 287.451 2.285 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC(C)C)C1 ZINC001016334910 809011227 /nfs/dbraw/zinc/01/12/27/809011227.db2.gz XSCDCEVMENKWJN-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001016334910 809011235 /nfs/dbraw/zinc/01/12/35/809011235.db2.gz XSCDCEVMENKWJN-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001016334910 809011242 /nfs/dbraw/zinc/01/12/42/809011242.db2.gz XSCDCEVMENKWJN-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC001171948402 815258319 /nfs/dbraw/zinc/25/83/19/815258319.db2.gz IATUWLJUKGJIOI-HCEZTOJASA-N 2 1 296.455 2.428 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC001171948402 815258323 /nfs/dbraw/zinc/25/83/23/815258323.db2.gz IATUWLJUKGJIOI-HCEZTOJASA-N 2 1 296.455 2.428 20 0 CEADMP CC1(C)C[C@@H]([NH+]2CC(CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171984408 815265759 /nfs/dbraw/zinc/26/57/59/815265759.db2.gz LAIKDEFCFIRGMG-KRWDZBQOSA-N 2 1 288.435 2.354 20 0 CEADMP CC1(C)C[C@@H]([NH+]2CC(CO)C2)CC[N@H+]1Cc1ccccc1 ZINC001171984408 815265761 /nfs/dbraw/zinc/26/57/61/815265761.db2.gz LAIKDEFCFIRGMG-KRWDZBQOSA-N 2 1 288.435 2.354 20 0 CEADMP C[NH+]1CCC([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000922848305 809189157 /nfs/dbraw/zinc/18/91/57/809189157.db2.gz QUWDAHWBFQZNNC-UHFFFAOYSA-N 3 1 265.445 2.077 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472480 809318051 /nfs/dbraw/zinc/31/80/51/809318051.db2.gz WRBIWTUWCOXQML-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033472480 809318057 /nfs/dbraw/zinc/31/80/57/809318057.db2.gz WRBIWTUWCOXQML-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033472480 809318062 /nfs/dbraw/zinc/31/80/62/809318062.db2.gz WRBIWTUWCOXQML-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700807359 809354592 /nfs/dbraw/zinc/35/45/92/809354592.db2.gz BHVSUBQLBAVTHG-RBSFLKMASA-N 2 1 254.418 2.123 20 0 CEADMP CCOC(=O)CCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156380 815283049 /nfs/dbraw/zinc/28/30/49/815283049.db2.gz QIXDYULJOTXQHL-ZIAGYGMSSA-N 2 1 288.407 2.261 20 0 CEADMP CCOC(=O)CCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156380 815283053 /nfs/dbraw/zinc/28/30/53/815283053.db2.gz QIXDYULJOTXQHL-ZIAGYGMSSA-N 2 1 288.407 2.261 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccncc1)C2 ZINC001172100838 815284945 /nfs/dbraw/zinc/28/49/45/815284945.db2.gz SPXZHKVVOFUYHF-MUJYYYPQSA-N 2 1 259.397 2.229 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(CC)CC ZINC001128785723 809460023 /nfs/dbraw/zinc/46/00/23/809460023.db2.gz QWCAQQCVOGPRHT-HNNXBMFYSA-N 2 1 283.460 2.003 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)C2 ZINC001172105135 815296019 /nfs/dbraw/zinc/29/60/19/815296019.db2.gz HHKLBCMAGQNWDN-LOUJCGABSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccnc1F)C2 ZINC001172108173 815297455 /nfs/dbraw/zinc/29/74/55/815297455.db2.gz QXBMWWAXTQVRJO-BTTYYORXSA-N 2 1 263.360 2.326 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccnc1F)C2 ZINC001172108173 815297458 /nfs/dbraw/zinc/29/74/58/815297458.db2.gz QXBMWWAXTQVRJO-BTTYYORXSA-N 2 1 263.360 2.326 20 0 CEADMP COc1ccnc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172107974 815297475 /nfs/dbraw/zinc/29/74/75/815297475.db2.gz MXRPBJQZMIHPMC-YOWGUQMCSA-N 2 1 275.396 2.195 20 0 CEADMP COc1ccnc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172107974 815297477 /nfs/dbraw/zinc/29/74/77/815297477.db2.gz MXRPBJQZMIHPMC-YOWGUQMCSA-N 2 1 275.396 2.195 20 0 CEADMP CCCC[C@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172108416 815297627 /nfs/dbraw/zinc/29/76/27/815297627.db2.gz WGXVSGBNDSMNPT-APIJFGDWSA-N 2 1 254.418 2.142 20 0 CEADMP CCCC[C@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172108416 815297633 /nfs/dbraw/zinc/29/76/33/815297633.db2.gz WGXVSGBNDSMNPT-APIJFGDWSA-N 2 1 254.418 2.142 20 0 CEADMP CCCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001034269418 809566978 /nfs/dbraw/zinc/56/69/78/809566978.db2.gz DEGLXFZVSAVDHG-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034269418 809566983 /nfs/dbraw/zinc/56/69/83/809566983.db2.gz DEGLXFZVSAVDHG-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034269418 809566988 /nfs/dbraw/zinc/56/69/88/809566988.db2.gz DEGLXFZVSAVDHG-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034269418 809566992 /nfs/dbraw/zinc/56/69/92/809566992.db2.gz DEGLXFZVSAVDHG-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034269418 809566995 /nfs/dbraw/zinc/56/69/95/809566995.db2.gz DEGLXFZVSAVDHG-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110791 815299545 /nfs/dbraw/zinc/29/95/45/815299545.db2.gz PEUZHFYJIYYXLD-QMIVOQANSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172110791 815299549 /nfs/dbraw/zinc/29/95/49/815299549.db2.gz PEUZHFYJIYYXLD-QMIVOQANSA-N 2 1 252.402 2.016 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccncc2Br)C1 ZINC000702870531 809593728 /nfs/dbraw/zinc/59/37/28/809593728.db2.gz LPDXYZKGORJDSW-SNVBAGLBSA-N 2 1 284.201 2.015 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCOC(C)(C)C1)C2 ZINC001172114388 815303042 /nfs/dbraw/zinc/30/30/42/815303042.db2.gz RDUINECOJLMYMM-WDNDVIMCSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCOC(C)(C)C1)C2 ZINC001172114388 815303050 /nfs/dbraw/zinc/30/30/50/815303050.db2.gz RDUINECOJLMYMM-WDNDVIMCSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCOC(C)(C)C1)C2 ZINC001172114388 815303053 /nfs/dbraw/zinc/30/30/53/815303053.db2.gz RDUINECOJLMYMM-WDNDVIMCSA-N 2 1 252.402 2.113 20 0 CEADMP CC[NH+](CC)CCN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113511 815303150 /nfs/dbraw/zinc/30/31/50/815303150.db2.gz JAXPPFBJBXZIRD-ZSHCYNCHSA-N 2 1 267.461 2.275 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3cccnc3C1)C2 ZINC001172113540 815303366 /nfs/dbraw/zinc/30/33/66/815303366.db2.gz KBQJGZMILWJTOT-FICVDOATSA-N 2 1 257.381 2.413 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3cccnc3C1)C2 ZINC001172113540 815303370 /nfs/dbraw/zinc/30/33/70/815303370.db2.gz KBQJGZMILWJTOT-FICVDOATSA-N 2 1 257.381 2.413 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1Cc3cccnc3C1)C2 ZINC001172113540 815303376 /nfs/dbraw/zinc/30/33/76/815303376.db2.gz KBQJGZMILWJTOT-FICVDOATSA-N 2 1 257.381 2.413 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1Cc3cccnc3C1)C2 ZINC001172113540 815303379 /nfs/dbraw/zinc/30/33/79/815303379.db2.gz KBQJGZMILWJTOT-FICVDOATSA-N 2 1 257.381 2.413 20 0 CEADMP C[C@@H](Cc1ccccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000703261168 809633887 /nfs/dbraw/zinc/63/38/87/809633887.db2.gz ZROXAZSQPHSKCR-WWTUQBGBSA-N 2 1 259.397 2.227 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC3(COC3)C1)C2 ZINC001172116699 815305475 /nfs/dbraw/zinc/30/54/75/815305475.db2.gz CCMOVYVOGJTWJV-FICVDOATSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC3(COC3)C1)C2 ZINC001172116699 815305481 /nfs/dbraw/zinc/30/54/81/815305481.db2.gz CCMOVYVOGJTWJV-FICVDOATSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC3(COC3)C1)C2 ZINC001172116699 815305485 /nfs/dbraw/zinc/30/54/85/815305485.db2.gz CCMOVYVOGJTWJV-FICVDOATSA-N 2 1 264.413 2.114 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172117998 815305960 /nfs/dbraw/zinc/30/59/60/815305960.db2.gz MGWDTZZYTFCSGY-ZVDSWSACSA-N 2 1 265.445 2.026 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172117998 815305966 /nfs/dbraw/zinc/30/59/66/815305966.db2.gz MGWDTZZYTFCSGY-ZVDSWSACSA-N 2 1 265.445 2.026 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172117998 815305973 /nfs/dbraw/zinc/30/59/73/815305973.db2.gz MGWDTZZYTFCSGY-ZVDSWSACSA-N 2 1 265.445 2.026 20 0 CEADMP COC(=O)C1(C)CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001168755468 809656261 /nfs/dbraw/zinc/65/62/61/809656261.db2.gz SRKJUYIPXVLWFG-HLIUYOAVSA-N 2 1 282.428 2.040 20 0 CEADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@@H]1O ZINC001172116607 815307321 /nfs/dbraw/zinc/30/73/21/815307321.db2.gz BLWOELTXLVKZKG-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@@H]1O ZINC001172116607 815307324 /nfs/dbraw/zinc/30/73/24/815307324.db2.gz BLWOELTXLVKZKG-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[C@@H]1O ZINC001172116607 815307331 /nfs/dbraw/zinc/30/73/31/815307331.db2.gz BLWOELTXLVKZKG-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[C@@H]1O ZINC001172116607 815307336 /nfs/dbraw/zinc/30/73/36/815307336.db2.gz BLWOELTXLVKZKG-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccnc3ccccc13)C2 ZINC000703557598 809661960 /nfs/dbraw/zinc/66/19/60/809661960.db2.gz CHAABFRAFBYNCG-WMLDXEAASA-N 2 1 267.376 2.276 20 0 CEADMP CC(C)[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001034733862 809677074 /nfs/dbraw/zinc/67/70/74/809677074.db2.gz FPAMJVTYOMHDTE-SHTZXODSSA-N 2 1 295.471 2.144 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](C)CC1CC[NH+](C)CC1)C2 ZINC001172121220 815308520 /nfs/dbraw/zinc/30/85/20/815308520.db2.gz JGRNWUWKMIDUNN-FVQHAEBGSA-N 3 1 279.472 2.275 20 0 CEADMP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121220 815308528 /nfs/dbraw/zinc/30/85/28/815308528.db2.gz JGRNWUWKMIDUNN-FVQHAEBGSA-N 3 1 279.472 2.275 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121220 815308534 /nfs/dbraw/zinc/30/85/34/815308534.db2.gz JGRNWUWKMIDUNN-FVQHAEBGSA-N 3 1 279.472 2.275 20 0 CEADMP C[NH+](CC1CC[NH+](C)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121220 815308541 /nfs/dbraw/zinc/30/85/41/815308541.db2.gz JGRNWUWKMIDUNN-FVQHAEBGSA-N 3 1 279.472 2.275 20 0 CEADMP C[NH+](CC1CC[NH+](C)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121220 815308548 /nfs/dbraw/zinc/30/85/48/815308548.db2.gz JGRNWUWKMIDUNN-FVQHAEBGSA-N 3 1 279.472 2.275 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](CO)CC1)C2 ZINC001172119774 815310816 /nfs/dbraw/zinc/31/08/16/815310816.db2.gz HWDYPDYHBVUNRT-JONQDZQNSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](CO)CC1)C2 ZINC001172119774 815310824 /nfs/dbraw/zinc/31/08/24/815310824.db2.gz HWDYPDYHBVUNRT-JONQDZQNSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H](CO)CC1)C2 ZINC001172119774 815310830 /nfs/dbraw/zinc/31/08/30/815310830.db2.gz HWDYPDYHBVUNRT-JONQDZQNSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](CO)CC1)C2 ZINC001172119774 815310837 /nfs/dbraw/zinc/31/08/37/815310837.db2.gz HWDYPDYHBVUNRT-JONQDZQNSA-N 2 1 266.429 2.096 20 0 CEADMP C(C[C@H]1CCSC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000704897327 809763528 /nfs/dbraw/zinc/76/35/28/809763528.db2.gz OYTVCBQCTRZDSW-LBPRGKRZSA-N 2 1 254.443 2.346 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]C(C)C)C2 ZINC001121318948 815330507 /nfs/dbraw/zinc/33/05/07/815330507.db2.gz RQMWBYBFYXVVKE-UHFFFAOYSA-N 2 1 295.471 2.142 20 0 CEADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1)[NH2+]2 ZINC000709464020 809961896 /nfs/dbraw/zinc/96/18/96/809961896.db2.gz GKLDQJULDZUAJZ-BVUBDWEXSA-N 3 1 279.472 2.368 20 0 CEADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1)[NH2+]2 ZINC000709464025 809961903 /nfs/dbraw/zinc/96/19/03/809961903.db2.gz GKLDQJULDZUAJZ-SLBVQIDZSA-N 3 1 279.472 2.368 20 0 CEADMP Cc1cccc([C@H](O)C[NH+]2CCC(C)([NH+](C)C)CC2)c1 ZINC000709827620 809971509 /nfs/dbraw/zinc/97/15/09/809971509.db2.gz LJIOPCJUSAIVKB-MRXNPFEDSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1nccn1CCC[N@@H+](C)CCCCCC[NH3+] ZINC000710831970 809995388 /nfs/dbraw/zinc/99/53/88/809995388.db2.gz FNLUDQBFRTWZOQ-UHFFFAOYSA-N 2 1 252.406 2.033 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCCCC[NH3+] ZINC000710831970 809995390 /nfs/dbraw/zinc/99/53/90/809995390.db2.gz FNLUDQBFRTWZOQ-UHFFFAOYSA-N 3 1 252.406 2.033 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCCCC[NH3+] ZINC000710831970 809995393 /nfs/dbraw/zinc/99/53/93/809995393.db2.gz FNLUDQBFRTWZOQ-UHFFFAOYSA-N 3 1 252.406 2.033 20 0 CEADMP C[NH+](C)CC1(O)CC[NH+](Cc2ccsc2Cl)CC1 ZINC000710583376 810000926 /nfs/dbraw/zinc/00/09/26/810000926.db2.gz VNGADNPNUFSIIZ-UHFFFAOYSA-N 2 1 288.844 2.290 20 0 CEADMP COC1(OC)CC[C@@H]1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000711040144 810011172 /nfs/dbraw/zinc/01/11/72/810011172.db2.gz GZCZKATYRYLLQO-LBPRGKRZSA-N 2 1 270.417 2.037 20 0 CEADMP CC1(C)CC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)OC1 ZINC000711278799 810055655 /nfs/dbraw/zinc/05/56/55/810055655.db2.gz VEOVTHKIIQJNNU-OAHLLOKOSA-N 2 1 266.429 2.408 20 0 CEADMP CCC[N@H+](Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923298601 810084575 /nfs/dbraw/zinc/08/45/75/810084575.db2.gz XDNXVWNFGXRTJV-MRXNPFEDSA-N 2 1 274.408 2.277 20 0 CEADMP O[C@]1(C[NH2+]C/C=C/C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001119003443 810394876 /nfs/dbraw/zinc/39/48/76/810394876.db2.gz MFLHESZGWRNKHC-UKTKYZJWSA-N 2 1 286.419 2.179 20 0 CEADMP O[C@]1(C[NH2+]C/C=C/C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001119003443 810394884 /nfs/dbraw/zinc/39/48/84/810394884.db2.gz MFLHESZGWRNKHC-UKTKYZJWSA-N 2 1 286.419 2.179 20 0 CEADMP c1nn(C2CCC2)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC001119674947 810533626 /nfs/dbraw/zinc/53/36/26/810533626.db2.gz PPIKETCBQWESMY-UHFFFAOYSA-N 2 1 262.401 2.184 20 0 CEADMP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001020238773 810782195 /nfs/dbraw/zinc/78/21/95/810782195.db2.gz BYMQOJAEUWGUPW-BZUAXINKSA-N 2 1 295.471 2.142 20 0 CEADMP CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001085628924 810856438 /nfs/dbraw/zinc/85/64/38/810856438.db2.gz HQLGDBCNKHLMRT-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001085628924 810856448 /nfs/dbraw/zinc/85/64/48/810856448.db2.gz HQLGDBCNKHLMRT-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085628924 810856454 /nfs/dbraw/zinc/85/64/54/810856454.db2.gz HQLGDBCNKHLMRT-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085856331 810946369 /nfs/dbraw/zinc/94/63/69/810946369.db2.gz WRWLAVDVNXYTKV-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP COc1cc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1O ZINC001169096409 811366798 /nfs/dbraw/zinc/36/67/98/811366798.db2.gz WCENMSLZKSVGSV-QKDCVEJESA-N 2 1 290.407 2.158 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)C2 ZINC001169100284 811372264 /nfs/dbraw/zinc/37/22/64/811372264.db2.gz IEBSBMCBOBLEGB-ZWUHOBOKSA-N 2 1 296.361 2.213 20 0 CEADMP Cc1ccn2c(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)cnc2c1 ZINC001169079762 811376924 /nfs/dbraw/zinc/37/69/24/811376924.db2.gz LGUQRKHDXDUACI-QKDCVEJESA-N 2 1 284.407 2.358 20 0 CEADMP Cc1ccn2c(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cnc2c1 ZINC001169079762 811376935 /nfs/dbraw/zinc/37/69/35/811376935.db2.gz LGUQRKHDXDUACI-QKDCVEJESA-N 2 1 284.407 2.358 20 0 CEADMP Cc1cc(C)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(=O)[nH]1 ZINC001169078772 811378600 /nfs/dbraw/zinc/37/86/00/811378600.db2.gz GJKKEFOTFZSDDE-ZSOGYDGISA-N 2 1 275.396 2.119 20 0 CEADMP Cc1cc(C)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(=O)[nH]1 ZINC001169078772 811378603 /nfs/dbraw/zinc/37/86/03/811378603.db2.gz GJKKEFOTFZSDDE-ZSOGYDGISA-N 2 1 275.396 2.119 20 0 CEADMP COc1cccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169081785 811381520 /nfs/dbraw/zinc/38/15/20/811381520.db2.gz WMTLIALOPYTSSN-MUJYYYPQSA-N 2 1 274.408 2.453 20 0 CEADMP COC(=O)C1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169090875 811384303 /nfs/dbraw/zinc/38/43/03/811384303.db2.gz MQNXYRCWFOAYHA-WQZDSJPGSA-N 2 1 294.439 2.181 20 0 CEADMP COc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C[NH3+] ZINC001169118823 811386085 /nfs/dbraw/zinc/38/60/85/811386085.db2.gz OGYOXMGFMQWWDQ-QKDCVEJESA-N 2 1 275.396 2.191 20 0 CEADMP Cc1cccc([C@@H](CO)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169117860 811386266 /nfs/dbraw/zinc/38/62/66/811386266.db2.gz AWQYDFWYMMSGQN-YYIAUSFCSA-N 2 1 274.408 2.243 20 0 CEADMP Cc1cccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169117860 811386277 /nfs/dbraw/zinc/38/62/77/811386277.db2.gz AWQYDFWYMMSGQN-YYIAUSFCSA-N 2 1 274.408 2.243 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)C2 ZINC001169108905 811404456 /nfs/dbraw/zinc/40/44/56/811404456.db2.gz VXWYYUOXXBJIQA-AKHDSKFASA-N 2 1 299.462 2.476 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Nc1cccc(CC[NH3+])c1)C2 ZINC001169113989 811406632 /nfs/dbraw/zinc/40/66/32/811406632.db2.gz VLYXDHSADPRGQO-PHZGNYQRSA-N 2 1 259.397 2.225 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](CCO)Cc1cccs1)C2 ZINC001169143145 811407655 /nfs/dbraw/zinc/40/76/55/811407655.db2.gz YHBHZHLKDOZKPO-BTTYYORXSA-N 2 1 280.437 2.168 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](CCO)Cc1cccs1)C2 ZINC001169143145 811407658 /nfs/dbraw/zinc/40/76/58/811407658.db2.gz YHBHZHLKDOZKPO-BTTYYORXSA-N 2 1 280.437 2.168 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](CCO)Cc1cccs1)C2 ZINC001169143145 811407660 /nfs/dbraw/zinc/40/76/60/811407660.db2.gz YHBHZHLKDOZKPO-BTTYYORXSA-N 2 1 280.437 2.168 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](CCO)Cc1cccs1)C2 ZINC001169143145 811407662 /nfs/dbraw/zinc/40/76/62/811407662.db2.gz YHBHZHLKDOZKPO-BTTYYORXSA-N 2 1 280.437 2.168 20 0 CEADMP CCN1CCC([NH2+]CCCC[NH+](CC)CC)CC1 ZINC001169222056 811435616 /nfs/dbraw/zinc/43/56/16/811435616.db2.gz YBXGRONJKHQHNK-UHFFFAOYSA-N 2 1 255.450 2.182 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)N(O)C2(C)C)CC1 ZINC001169229879 811442253 /nfs/dbraw/zinc/44/22/53/811442253.db2.gz JCUOUSOOHQBXCB-CYBMUJFWSA-N 2 1 269.433 2.081 20 0 CEADMP C[C@@H]([NH3+])c1ccn(-c2ccc([C@@H]3CCCC[N@H+]3C)cn2)n1 ZINC001169231465 811445699 /nfs/dbraw/zinc/44/56/99/811445699.db2.gz KABXTEIJGJCGJW-DOMZBBRYSA-N 2 1 285.395 2.444 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH+]1CCC([NH+](CC)CC)CC1 ZINC001169477834 811523750 /nfs/dbraw/zinc/52/37/50/811523750.db2.gz HRTQMGHIJAQRBR-HNNXBMFYSA-N 2 1 297.487 2.440 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC([NH+](CC)CC)CC1 ZINC001169477835 811524744 /nfs/dbraw/zinc/52/47/44/811524744.db2.gz HRTQMGHIJAQRBR-OAHLLOKOSA-N 2 1 297.487 2.440 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(OC)c1C ZINC001206165894 815460168 /nfs/dbraw/zinc/46/01/68/815460168.db2.gz PREXUGJTESUUCX-KBPBESRZSA-N 2 1 296.386 2.273 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(OC)c1C ZINC001206165894 815460173 /nfs/dbraw/zinc/46/01/73/815460173.db2.gz PREXUGJTESUUCX-KBPBESRZSA-N 2 1 296.386 2.273 20 0 CEADMP COC(=[NH2+])c1cccc(-n2cc(CC[NH3+])c3ncccc32)c1 ZINC001169710556 811637410 /nfs/dbraw/zinc/63/74/10/811637410.db2.gz MGZUQEHLGCLRDL-UHFFFAOYSA-N 2 1 294.358 2.498 20 0 CEADMP CCOc1ncc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1F ZINC001206023309 811699436 /nfs/dbraw/zinc/69/94/36/811699436.db2.gz FUPFTXSSXJASDK-GXTWGEPZSA-N 2 1 295.402 2.426 20 0 CEADMP CCC[N@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001046414444 811751393 /nfs/dbraw/zinc/75/13/93/811751393.db2.gz HTBNEALBQBCNOE-MRXNPFEDSA-N 2 1 286.379 2.167 20 0 CEADMP CC1(C)CC(n2c[nH+]cc2CC[NH3+])CC(C)(C)O1 ZINC001172641129 815480700 /nfs/dbraw/zinc/48/07/00/815480700.db2.gz UCFLWHVSGWODOQ-UHFFFAOYSA-N 2 1 251.374 2.293 20 0 CEADMP COCOc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206028842 811901753 /nfs/dbraw/zinc/90/17/53/811901753.db2.gz ZOAFJYCNGFESFP-GDBMZVCRSA-N 2 1 292.423 2.476 20 0 CEADMP COC(=O)N1CCC([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172734698 815496765 /nfs/dbraw/zinc/49/67/65/815496765.db2.gz QQSJUQHRIGPLNK-HDJSIYSDSA-N 2 1 297.443 2.198 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001112979841 812133232 /nfs/dbraw/zinc/13/32/32/812133232.db2.gz JBUPDHBKPBJXFN-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCC/C=C/CC[NH+]1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001113007735 812140809 /nfs/dbraw/zinc/14/08/09/812140809.db2.gz ZQPBXGNLCCXYLR-ROJDOSBLSA-N 2 1 295.471 2.217 20 0 CEADMP CC/C=C/CC[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001113034909 812149348 /nfs/dbraw/zinc/14/93/48/812149348.db2.gz AEGLRCJTTSVANN-CMDGGOBGSA-N 2 1 295.471 2.217 20 0 CEADMP CC/C=C/CC[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001113034909 812149354 /nfs/dbraw/zinc/14/93/54/812149354.db2.gz AEGLRCJTTSVANN-CMDGGOBGSA-N 2 1 295.471 2.217 20 0 CEADMP CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(C)C)[NH+](C)C ZINC001049550106 812165961 /nfs/dbraw/zinc/16/59/61/812165961.db2.gz KCFMACZMOMWGCA-OAGGEKHMSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049708303 812196723 /nfs/dbraw/zinc/19/67/23/812196723.db2.gz FPULUDIKHBSMAH-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CCC(=O)OC(C)C)C[C@@H]2C1 ZINC001172763336 815511766 /nfs/dbraw/zinc/51/17/66/815511766.db2.gz YTKUHPCRFYUTQH-HRCADAONSA-N 2 1 296.455 2.380 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CCC(=O)OC(C)C)C[C@@H]2C1 ZINC001172763336 815511771 /nfs/dbraw/zinc/51/17/71/815511771.db2.gz YTKUHPCRFYUTQH-HRCADAONSA-N 2 1 296.455 2.380 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CCC(=O)OC(C)C)C[C@@H]2C1 ZINC001172763336 815511773 /nfs/dbraw/zinc/51/17/73/815511773.db2.gz YTKUHPCRFYUTQH-HRCADAONSA-N 2 1 296.455 2.380 20 0 CEADMP CC[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)CCO1 ZINC001170218598 812341471 /nfs/dbraw/zinc/34/14/71/812341471.db2.gz FFJSUCOJGKYKGC-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]C[C@@H](C)CC(C)C ZINC001170221461 812341932 /nfs/dbraw/zinc/34/19/32/812341932.db2.gz ASCAFFPOKYZNGQ-HNNXBMFYSA-N 2 1 285.476 2.106 20 0 CEADMP CC[C@@H]1C[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)CCO1 ZINC001170242702 812353859 /nfs/dbraw/zinc/35/38/59/812353859.db2.gz KEWBDRNCPCWISL-LSDHHAIUSA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+]1CC(CNc2ccc([C@H]3CC[N@@H+](C)C3)cc2)C1 ZINC001170257984 812363773 /nfs/dbraw/zinc/36/37/73/812363773.db2.gz FQAZHQFWUKHIOF-HNNXBMFYSA-N 2 1 259.397 2.079 20 0 CEADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052762677 812458013 /nfs/dbraw/zinc/45/80/13/812458013.db2.gz AMJFFORYUFONED-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C(C)C)CC1 ZINC001052956540 812478539 /nfs/dbraw/zinc/47/85/39/812478539.db2.gz UQAPANOWULWZOT-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC001052956540 812478543 /nfs/dbraw/zinc/47/85/43/812478543.db2.gz UQAPANOWULWZOT-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC001052956540 812478547 /nfs/dbraw/zinc/47/85/47/812478547.db2.gz UQAPANOWULWZOT-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC/C=C/CC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130188585 812541644 /nfs/dbraw/zinc/54/16/44/812541644.db2.gz GSFURXPJYSEBEJ-WNEUIUNWSA-N 2 1 293.455 2.065 20 0 CEADMP Cc1ccc[nH+]c1N1CCC([NH2+]C2CCOCC2)CC1 ZINC001255031597 812686815 /nfs/dbraw/zinc/68/68/15/812686815.db2.gz GZWAXXSHZDQWBO-UHFFFAOYSA-N 2 1 275.396 2.127 20 0 CEADMP C[N@@H+](CCC(=O)NCC[NH2+]CC1CCC1)C1CCCCC1 ZINC001131815780 812735450 /nfs/dbraw/zinc/73/54/50/812735450.db2.gz TUORDJQTLTVXQB-UHFFFAOYSA-N 2 1 295.471 2.147 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CC2)C1 ZINC001132153298 812792755 /nfs/dbraw/zinc/79/27/55/812792755.db2.gz PWTYHDNSJWKJNK-HIFRSBDPSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CC2)C1 ZINC001132153298 812792763 /nfs/dbraw/zinc/79/27/63/812792763.db2.gz PWTYHDNSJWKJNK-HIFRSBDPSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CC2)C1 ZINC001132153298 812792768 /nfs/dbraw/zinc/79/27/68/812792768.db2.gz PWTYHDNSJWKJNK-HIFRSBDPSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132435374 812850881 /nfs/dbraw/zinc/85/08/81/812850881.db2.gz CFVPGHWHMFFMGN-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132435374 812850891 /nfs/dbraw/zinc/85/08/91/812850891.db2.gz CFVPGHWHMFFMGN-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132435374 812850899 /nfs/dbraw/zinc/85/08/99/812850899.db2.gz CFVPGHWHMFFMGN-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCC[C@@H](OC)C3)C[C@@H]2C1 ZINC001172951321 815562691 /nfs/dbraw/zinc/56/26/91/815562691.db2.gz QCPIWKULPZNTRP-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCC[C@@H](OC)C3)C[C@@H]2C1 ZINC001172951321 815562693 /nfs/dbraw/zinc/56/26/93/815562693.db2.gz QCPIWKULPZNTRP-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCC[C@@H](OC)C3)C[C@@H]2C1 ZINC001172951321 815562694 /nfs/dbraw/zinc/56/26/94/815562694.db2.gz QCPIWKULPZNTRP-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3nccc(Cl)c23)CC[C@H]1F ZINC001206184693 815563128 /nfs/dbraw/zinc/56/31/28/815563128.db2.gz JQDVISHONLFTDT-VXGBXAGGSA-N 2 1 296.777 2.478 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3nccc(Cl)c23)CC[C@H]1F ZINC001206184693 815563134 /nfs/dbraw/zinc/56/31/34/815563134.db2.gz JQDVISHONLFTDT-VXGBXAGGSA-N 2 1 296.777 2.478 20 0 CEADMP C[N@@H+](CC(=O)NCC[NH2+]CC1CC(C)(C)C1)CC(C)(C)C ZINC001133908311 813174867 /nfs/dbraw/zinc/17/48/67/813174867.db2.gz MDOZYTDTCIPSNP-UHFFFAOYSA-N 2 1 297.487 2.106 20 0 CEADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170751558 813272387 /nfs/dbraw/zinc/27/23/87/813272387.db2.gz RARXMGFWSZVWPG-BQJWPVKWSA-N 2 1 291.483 2.131 20 0 CEADMP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612177 813295533 /nfs/dbraw/zinc/29/55/33/813295533.db2.gz IVDGZFNMJGHJSC-ZIAGYGMSSA-N 2 1 283.460 2.144 20 0 CEADMP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608416 813298457 /nfs/dbraw/zinc/29/84/57/813298457.db2.gz VNWICJFDGCZJCT-GJZGRUSLSA-N 2 1 295.471 2.310 20 0 CEADMP CC1(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000394135183 813350680 /nfs/dbraw/zinc/35/06/80/813350680.db2.gz GZWWHJFKKVLZOX-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP CC1(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000394135183 813350688 /nfs/dbraw/zinc/35/06/88/813350688.db2.gz GZWWHJFKKVLZOX-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP CC1(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCCC1 ZINC000394135186 813351179 /nfs/dbraw/zinc/35/11/79/813351179.db2.gz GZWWHJFKKVLZOX-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP CC1(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCCC1 ZINC000394135186 813351186 /nfs/dbraw/zinc/35/11/86/813351186.db2.gz GZWWHJFKKVLZOX-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(C)C ZINC001170784751 813353715 /nfs/dbraw/zinc/35/37/15/813353715.db2.gz KYSHDLOLUWLHOS-INIZCTEOSA-N 2 1 297.487 2.393 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCC ZINC001170785378 813355026 /nfs/dbraw/zinc/35/50/26/813355026.db2.gz RDLFMHFYOUEXBI-HNNXBMFYSA-N 2 1 283.460 2.147 20 0 CEADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC001170796609 813374026 /nfs/dbraw/zinc/37/40/26/813374026.db2.gz OYNHWSGDADVVQM-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC001170796609 813374032 /nfs/dbraw/zinc/37/40/32/813374032.db2.gz OYNHWSGDADVVQM-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@@H]2CCCOCC2)C1 ZINC001170803403 813387594 /nfs/dbraw/zinc/38/75/94/813387594.db2.gz INVUCVSDUHXHEN-HUUCEWRRSA-N 2 1 254.418 2.397 20 0 CEADMP CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071953859 813519318 /nfs/dbraw/zinc/51/93/18/813519318.db2.gz GPKDXWQFDYQPRO-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001135860431 813548058 /nfs/dbraw/zinc/54/80/58/813548058.db2.gz BKBYGPAKYWXSMY-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170862595 813557721 /nfs/dbraw/zinc/55/77/21/813557721.db2.gz PATKIHGFVWZFJM-ARFHVFGLSA-N 2 1 297.487 2.391 20 0 CEADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170862597 813558197 /nfs/dbraw/zinc/55/81/97/813558197.db2.gz PATKIHGFVWZFJM-BZUAXINKSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@@H](CN[C@H]1CCC[NH2+][C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000396575197 813574970 /nfs/dbraw/zinc/57/49/70/813574970.db2.gz CFKROILBVYRBEK-ZOBUZTSGSA-N 2 1 275.440 2.237 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397428105 813618210 /nfs/dbraw/zinc/61/82/10/813618210.db2.gz XLZVDVXKXPYZMQ-VGWMRTNUSA-N 2 1 297.487 2.377 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397428105 813618214 /nfs/dbraw/zinc/61/82/14/813618214.db2.gz XLZVDVXKXPYZMQ-VGWMRTNUSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]1 ZINC001246110589 813703716 /nfs/dbraw/zinc/70/37/16/813703716.db2.gz NBIADFFHCHXSDG-QLFBSQMISA-N 3 1 265.445 2.171 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001246203998 813728637 /nfs/dbraw/zinc/72/86/37/813728637.db2.gz FSRFTABSGZIRKM-RBSFLKMASA-N 2 1 265.445 2.253 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CCC2(C)C)C1 ZINC001246334527 813789117 /nfs/dbraw/zinc/78/91/17/813789117.db2.gz ZZCYQPCMTQUKAT-HZSPNIEDSA-N 2 1 282.428 2.086 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001074026187 813797841 /nfs/dbraw/zinc/79/78/41/813797841.db2.gz NEYQUPAYVDEECG-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001074026187 813797851 /nfs/dbraw/zinc/79/78/51/813797851.db2.gz NEYQUPAYVDEECG-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001074026187 813797862 /nfs/dbraw/zinc/79/78/62/813797862.db2.gz NEYQUPAYVDEECG-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001074103079 813802885 /nfs/dbraw/zinc/80/28/85/813802885.db2.gz PLBZQKDUVKJSCA-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246504370 813879355 /nfs/dbraw/zinc/87/93/55/813879355.db2.gz PURAUBXVKAMCCJ-CAOSSQGBSA-N 3 1 267.461 2.370 20 0 CEADMP C[C@H]1CC[C@@H](CN)[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246536804 813927764 /nfs/dbraw/zinc/92/77/64/813927764.db2.gz DUYABAXOYGMDJZ-ZFWWWQNUSA-N 2 1 265.445 2.110 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001246539122 813943320 /nfs/dbraw/zinc/94/33/20/813943320.db2.gz ASIWJGPLMKXOBI-AVGNSLFASA-N 2 1 294.361 2.283 20 0 CEADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2CCc3ncsc3C2)CC1 ZINC001246548550 814000081 /nfs/dbraw/zinc/00/00/81/814000081.db2.gz GWMNDHANEQYMSJ-SMDDNHRTSA-N 2 1 265.426 2.204 20 0 CEADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)CCc1cnc[nH]1 ZINC001171152972 814002513 /nfs/dbraw/zinc/00/25/13/814002513.db2.gz VGKKFZOILPVMMX-CYBMUJFWSA-N 2 1 292.427 2.017 20 0 CEADMP CO[C@@H]1CCC[C@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246557957 814035841 /nfs/dbraw/zinc/03/58/41/814035841.db2.gz LVHLFKCAZASPIU-MJBXVCDLSA-N 2 1 258.381 2.097 20 0 CEADMP CO[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001246557948 814040088 /nfs/dbraw/zinc/04/00/88/814040088.db2.gz LVHLFKCAZASPIU-MCIONIFRSA-N 2 1 258.381 2.097 20 0 CEADMP Cc1nc(C[NH+]2CC3(C2)CC[NH+](C)CC3)sc1C ZINC001144378244 814044182 /nfs/dbraw/zinc/04/41/82/814044182.db2.gz AVZPTXUSDMTIJM-UHFFFAOYSA-N 2 1 265.426 2.288 20 0 CEADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246561846 814049490 /nfs/dbraw/zinc/04/94/90/814049490.db2.gz GPUBFWWPWKGFOL-GVRJEKJASA-N 3 1 267.461 2.355 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)C[C@H](CC)[NH2+]1 ZINC001246561846 814049497 /nfs/dbraw/zinc/04/94/97/814049497.db2.gz GPUBFWWPWKGFOL-GVRJEKJASA-N 3 1 267.461 2.355 20 0 CEADMP CO[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC001246563172 814051769 /nfs/dbraw/zinc/05/17/69/814051769.db2.gz PBRRAIJHKBQESF-CBBWQLFWSA-N 2 1 254.418 2.251 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](C(=O)OC)CC1 ZINC001255968949 814065413 /nfs/dbraw/zinc/06/54/13/814065413.db2.gz OOXCCPRAJVVQHJ-GJZGRUSLSA-N 2 1 284.444 2.382 20 0 CEADMP CC(C)C[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001100420748 814112894 /nfs/dbraw/zinc/11/28/94/814112894.db2.gz UQRFTTRZWDKYPX-GPANFISMSA-N 2 1 295.471 2.001 20 0 CEADMP C[N@H+](C1CC1)C1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144625172 814126262 /nfs/dbraw/zinc/12/62/62/814126262.db2.gz GYCVVWFYUQDBBO-UHFFFAOYSA-N 2 1 284.407 2.393 20 0 CEADMP C[N@@H+](C1CC1)C1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144625172 814126264 /nfs/dbraw/zinc/12/62/64/814126264.db2.gz GYCVVWFYUQDBBO-UHFFFAOYSA-N 2 1 284.407 2.393 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246580514 814148722 /nfs/dbraw/zinc/14/87/22/814148722.db2.gz NEFIAKOQEDNTNL-ZFWWWQNUSA-N 2 1 288.407 2.261 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246580514 814148730 /nfs/dbraw/zinc/14/87/30/814148730.db2.gz NEFIAKOQEDNTNL-ZFWWWQNUSA-N 2 1 288.407 2.261 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100829941 814196475 /nfs/dbraw/zinc/19/64/75/814196475.db2.gz TZXGDJSRIKKVCC-UHFFFAOYSA-N 2 1 297.487 2.249 20 0 CEADMP CCCCCC[C@H](CC)[N@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246625798 814223880 /nfs/dbraw/zinc/22/38/80/814223880.db2.gz HLGBCDCIYHDXKJ-HNNXBMFYSA-N 2 1 295.471 2.289 20 0 CEADMP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146601152 814297701 /nfs/dbraw/zinc/29/77/01/814297701.db2.gz KNHISGRSAVDHLH-HUUCEWRRSA-N 2 1 285.476 2.390 20 0 CEADMP CCCCC[C@@H](CC)[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246872093 814322866 /nfs/dbraw/zinc/32/28/66/814322866.db2.gz PFJUPOAOTZBIND-HZPDHXFCSA-N 2 1 267.461 2.453 20 0 CEADMP CCC/C=C\CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161043136 814468668 /nfs/dbraw/zinc/46/86/68/814468668.db2.gz YBBLVUXNOVDEDQ-OGZRUICASA-N 2 1 295.471 2.313 20 0 CEADMP CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398195 814498235 /nfs/dbraw/zinc/49/82/35/814498235.db2.gz HHHPVBBVCIKELI-BZUAXINKSA-N 2 1 297.487 2.058 20 0 CEADMP Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cn1 ZINC000693678304 814628186 /nfs/dbraw/zinc/62/81/86/814628186.db2.gz BOZXBMXKZWYFND-QLFBSQMISA-N 2 1 259.397 2.256 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCSCC(F)(F)F ZINC000698969264 814661309 /nfs/dbraw/zinc/66/13/09/814661309.db2.gz VLCZRPXQGKPINX-RKDXNWHRSA-N 2 1 256.337 2.012 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCc3ncn(C)c3C2)CC1 ZINC001173113854 815583844 /nfs/dbraw/zinc/58/38/44/815583844.db2.gz NBRVJGIDUQRRSR-UHFFFAOYSA-N 2 1 290.455 2.431 20 0 CEADMP CC[NH+](CC)C1CCC(N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001173111610 815583936 /nfs/dbraw/zinc/58/39/36/815583936.db2.gz IKHYCSJMQZNBNV-OFLPRAFFSA-N 2 1 279.472 2.419 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](NC(C)=O)C2)CC1 ZINC001173111618 815584017 /nfs/dbraw/zinc/58/40/17/815584017.db2.gz IOLQPXWJBINBEJ-GTPINHCMSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](CC)C2CN(C)C2)CC1 ZINC001173113966 815584051 /nfs/dbraw/zinc/58/40/51/815584051.db2.gz QCUYBTJKHOZYGD-UHFFFAOYSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCn3nccc3C2)CC1 ZINC001173114117 815584224 /nfs/dbraw/zinc/58/42/24/815584224.db2.gz WUCOYBAFXBSABA-UHFFFAOYSA-N 2 1 276.428 2.352 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2[NH+](C)C)C[N@@H+]1C1CC1 ZINC001116295014 814844678 /nfs/dbraw/zinc/84/46/78/814844678.db2.gz APAVNAMTHBQZJF-BFJAYTPKSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2[NH+](C)C)C[N@H+]1C1CC1 ZINC001116295014 814844685 /nfs/dbraw/zinc/84/46/85/814844685.db2.gz APAVNAMTHBQZJF-BFJAYTPKSA-N 2 1 265.445 2.074 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CCCC[C@@H]2CC[NH3+])OC1 ZINC000713597375 814867140 /nfs/dbraw/zinc/86/71/40/814867140.db2.gz SXIGOJVLUUPOAC-ZIAGYGMSSA-N 2 1 254.418 2.395 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000714998356 814921226 /nfs/dbraw/zinc/92/12/26/814921226.db2.gz GGKRAFYWHZIAAB-HOCLYGCPSA-N 2 1 260.381 2.269 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3c(c2)NCCC3)CC[C@@H]1F ZINC001206196870 815643483 /nfs/dbraw/zinc/64/34/83/815643483.db2.gz DXDFYAOLLDISQI-LSDHHAIUSA-N 2 1 277.387 2.306 20 0 CEADMP CCSC[C@@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173294827 815654438 /nfs/dbraw/zinc/65/44/38/815654438.db2.gz ICKUWFRJXWNLDG-JHJVBQTASA-N 2 1 272.458 2.099 20 0 CEADMP CC[N@@H+]1CC[C@H](N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC001173356758 815697351 /nfs/dbraw/zinc/69/73/51/815697351.db2.gz KIPLCFZZQFAMSX-IRXDYDNUSA-N 2 1 273.424 2.069 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC001173356758 815697353 /nfs/dbraw/zinc/69/73/53/815697353.db2.gz KIPLCFZZQFAMSX-IRXDYDNUSA-N 2 1 273.424 2.069 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC001173356758 815697356 /nfs/dbraw/zinc/69/73/56/815697356.db2.gz KIPLCFZZQFAMSX-IRXDYDNUSA-N 2 1 273.424 2.069 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC001173356758 815697359 /nfs/dbraw/zinc/69/73/59/815697359.db2.gz KIPLCFZZQFAMSX-IRXDYDNUSA-N 2 1 273.424 2.069 20 0 CEADMP CC[N@H+]1CC[C@@H](Nc2c(Br)cccc2C[NH3+])C1 ZINC001173358578 815699047 /nfs/dbraw/zinc/69/90/47/815699047.db2.gz QCNPMRRHOROCBY-LLVKDONJSA-N 2 1 298.228 2.414 20 0 CEADMP CCCCCC[NH+]1CCN([C@H]2CC[N@@H+](CC)C2)CC1 ZINC001173365428 815702625 /nfs/dbraw/zinc/70/26/25/815702625.db2.gz HSXVPIPQZGZOIX-INIZCTEOSA-N 2 1 267.461 2.279 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C1 ZINC001173620145 815763951 /nfs/dbraw/zinc/76/39/51/815763951.db2.gz FFCPLLKQZDAPDT-QLFBSQMISA-N 2 1 282.428 2.182 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC001173622965 815767027 /nfs/dbraw/zinc/76/70/27/815767027.db2.gz PDXQVDJITHHGTH-DZGCQCFKSA-N 2 1 282.428 2.182 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(O)cc(O)c3)C2)CC1 ZINC001138331400 815768838 /nfs/dbraw/zinc/76/88/38/815768838.db2.gz YIMACXKXAATFCY-UHFFFAOYSA-N 2 1 276.380 2.016 20 0 CEADMP CO[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138545496 815821934 /nfs/dbraw/zinc/82/19/34/815821934.db2.gz YDHXVJAOOHMAHD-INIZCTEOSA-N 2 1 271.364 2.401 20 0 CEADMP CO[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138545496 815821942 /nfs/dbraw/zinc/82/19/42/815821942.db2.gz YDHXVJAOOHMAHD-INIZCTEOSA-N 2 1 271.364 2.401 20 0 CEADMP Cc1nccn1-c1ccc(C[N@H+]2CCOC[C@@H]2C)cc1 ZINC001138542692 815822439 /nfs/dbraw/zinc/82/24/39/815822439.db2.gz FGKBPRQDZXQFKG-ZDUSSCGKSA-N 2 1 271.364 2.401 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@](C)(CO)C2)cc1 ZINC001138544779 815822492 /nfs/dbraw/zinc/82/24/92/815822492.db2.gz OVBRNRPKOVTZBR-KRWDZBQOSA-N 2 1 285.391 2.385 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@](C)(CO)C2)cc1 ZINC001138544779 815822501 /nfs/dbraw/zinc/82/25/01/815822501.db2.gz OVBRNRPKOVTZBR-KRWDZBQOSA-N 2 1 285.391 2.385 20 0 CEADMP CO[C@H]1C[N@H+](Cc2ccc(-n3ccnc3C)cc2)C[C@@H]1F ZINC001138542237 815823579 /nfs/dbraw/zinc/82/35/79/815823579.db2.gz BKLHCOGRLGPUFW-HOTGVXAUSA-N 2 1 289.354 2.349 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001138543426 815823622 /nfs/dbraw/zinc/82/36/22/815823622.db2.gz OFOKIKUCEJAIJE-UHFFFAOYSA-N 2 1 271.364 2.137 20 0 CEADMP CSc1ncc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cn1 ZINC001138706587 815873342 /nfs/dbraw/zinc/87/33/42/815873342.db2.gz BPPHNUIFVWJAEP-UHFFFAOYSA-N 2 1 292.452 2.116 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc4nsnc4c3)C2)C1 ZINC001139215893 815988939 /nfs/dbraw/zinc/98/89/39/815988939.db2.gz UUQYJUWHGWCYOM-HNNXBMFYSA-N 2 1 288.420 2.219 20 0 CEADMP CC[N@@H+]1C[C@H]2CN(Cc3ccc4nsnc4c3)C[C@H]2C1 ZINC001139214515 815989750 /nfs/dbraw/zinc/98/97/50/815989750.db2.gz QEDSRUFSCZDPAD-BETUJISGSA-N 2 1 288.420 2.075 20 0 CEADMP Cc1nccn1-c1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC001140020701 816167770 /nfs/dbraw/zinc/16/77/70/816167770.db2.gz AKPWIKZUTSCGRM-CXAGYDPISA-N 2 1 285.391 2.383 20 0 CEADMP C[C@@H]1C[N@@H+](C[Si](C)(C)C)CCN1c1cc[nH+]cc1 ZINC001175770427 816282184 /nfs/dbraw/zinc/28/21/84/816282184.db2.gz ZQXWKVRFXWDDFB-CYBMUJFWSA-N 2 1 263.461 2.470 20 0 CEADMP CC(=O)Nc1cc(Nc2cc(C)[nH+]c(C)c2)cc[nH+]1 ZINC001176053739 816342117 /nfs/dbraw/zinc/34/21/17/816342117.db2.gz HDGQXBNSFUOIMK-UHFFFAOYSA-N 2 1 256.309 2.217 20 0 CEADMP CCC/C=C\CC[NH2+]CCCNC(=O)Cn1cc[nH+]c1C ZINC001176132939 816345300 /nfs/dbraw/zinc/34/53/00/816345300.db2.gz LPCCTJUMARRCBL-WAYWQWQTSA-N 2 1 292.427 2.034 20 0 CEADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176564108 816443113 /nfs/dbraw/zinc/44/31/13/816443113.db2.gz LPEFDZHFXXGLRO-CVEARBPZSA-N 2 1 295.471 2.169 20 0 CEADMP CC[N@H+](C)C1CC[NH+](Cc2cccc3nn(C)cc32)CC1 ZINC001142468748 816672898 /nfs/dbraw/zinc/67/28/98/816672898.db2.gz PQOXMSPSSNVGCG-UHFFFAOYSA-N 2 1 286.423 2.489 20 0 CEADMP CC[N@@H+](C)C1CC[NH+](Cc2cccc3nn(C)cc32)CC1 ZINC001142468748 816672904 /nfs/dbraw/zinc/67/29/04/816672904.db2.gz PQOXMSPSSNVGCG-UHFFFAOYSA-N 2 1 286.423 2.489 20 0 CEADMP C[C@H]1[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001178361227 816732251 /nfs/dbraw/zinc/73/22/51/816732251.db2.gz VYVGSCVJCXYPPM-SOUVJXGZSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC ZINC001178634422 816775136 /nfs/dbraw/zinc/77/51/36/816775136.db2.gz UQAQCWCKSJQMGY-OAHLLOKOSA-N 2 1 283.460 2.147 20 0 CEADMP C[N@@H+](CC(=O)NCCCCCC[NH2+]CC1CC1)C1CCC1 ZINC001178702027 816788704 /nfs/dbraw/zinc/78/87/04/816788704.db2.gz KAAJUZIFURCXGX-UHFFFAOYSA-N 2 1 295.471 2.147 20 0 CEADMP CCCC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178926437 816809472 /nfs/dbraw/zinc/80/94/72/816809472.db2.gz WKSPQBGLBNECIU-JYJNAYRXSA-N 2 1 295.471 2.240 20 0 CEADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cccc3c2CCN3)C1 ZINC001206369660 816836420 /nfs/dbraw/zinc/83/64/20/816836420.db2.gz HHQCZWXKDDWBCV-INIZCTEOSA-N 2 1 277.387 2.308 20 0 CEADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cccc3c2CCN3)C1 ZINC001206369660 816836426 /nfs/dbraw/zinc/83/64/26/816836426.db2.gz HHQCZWXKDDWBCV-INIZCTEOSA-N 2 1 277.387 2.308 20 0 CEADMP CCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001179534707 816869783 /nfs/dbraw/zinc/86/97/83/816869783.db2.gz SFPYZOUZDQLOBK-PMPSAXMXSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449076542 282090284 /nfs/dbraw/zinc/09/02/84/282090284.db2.gz UCJOFMDVSICJFJ-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449089449 282095708 /nfs/dbraw/zinc/09/57/08/282095708.db2.gz KJMSFSVUGPCCLQ-AWEZNQCLSA-N 2 1 263.385 2.273 20 0 CEADMP COCC1CCC([NH2+]CCCn2cc[nH+]c2C)CC1 ZINC000449089792 282096394 /nfs/dbraw/zinc/09/63/94/282096394.db2.gz LLRKAIXJUHWHDX-UHFFFAOYSA-N 2 1 265.401 2.376 20 0 CEADMP CC[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000121599458 365591805 /nfs/dbraw/zinc/59/18/05/365591805.db2.gz DJRGMZMYRLXPIG-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CC[NH+]2CCCC[C@@H]2C1 ZINC000336524955 365596058 /nfs/dbraw/zinc/59/60/58/365596058.db2.gz ZUTJLQOSNIOCPE-JKSUJKDBSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCCC[C@H]1CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000336524955 365596063 /nfs/dbraw/zinc/59/60/63/365596063.db2.gz ZUTJLQOSNIOCPE-JKSUJKDBSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCCC[C@H]1CCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000336524955 365596067 /nfs/dbraw/zinc/59/60/67/365596067.db2.gz ZUTJLQOSNIOCPE-JKSUJKDBSA-N 2 1 265.445 2.031 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000449132008 282112109 /nfs/dbraw/zinc/11/21/09/282112109.db2.gz RADXFILWJJTXBI-BARDWOONSA-N 2 1 254.418 2.262 20 0 CEADMP CCOCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000121817659 365618965 /nfs/dbraw/zinc/61/89/65/365618965.db2.gz PEXYJZLAKHBQDS-OAHLLOKOSA-N 2 1 254.418 2.363 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](C[C@H]3CCCOC3)C2)CC1 ZINC000336554795 365638432 /nfs/dbraw/zinc/63/84/32/365638432.db2.gz PUJLKKDKIRIVHZ-ZBFHGGJFSA-N 2 1 266.429 2.077 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000125359196 365673367 /nfs/dbraw/zinc/67/33/67/365673367.db2.gz MQNOWWLXRHYZCV-FMKPAKJESA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000125359196 365673372 /nfs/dbraw/zinc/67/33/72/365673372.db2.gz MQNOWWLXRHYZCV-FMKPAKJESA-N 2 1 267.461 2.037 20 0 CEADMP Cc1ccnc(C)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336586781 365682425 /nfs/dbraw/zinc/68/24/25/365682425.db2.gz PYAXGNWWDKHSDD-DGCLKSJQSA-N 2 1 276.384 2.303 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCOC2CCCC2)CC[N@H+]1C ZINC000125230309 187175242 /nfs/dbraw/zinc/17/52/42/187175242.db2.gz JAMRWZFOWDDTKH-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000125424499 187184083 /nfs/dbraw/zinc/18/40/83/187184083.db2.gz IGBIWSZPXMZZRB-BETUJISGSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000125424499 187184084 /nfs/dbraw/zinc/18/40/84/187184084.db2.gz IGBIWSZPXMZZRB-BETUJISGSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1cc(C)cc(C[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000567691086 299076839 /nfs/dbraw/zinc/07/68/39/299076839.db2.gz OZBMKJNVRJRQNU-MAUKXSAKSA-N 2 1 290.451 2.279 20 0 CEADMP Cc1cc(C)cc(C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000567691086 299076842 /nfs/dbraw/zinc/07/68/42/299076842.db2.gz OZBMKJNVRJRQNU-MAUKXSAKSA-N 2 1 290.451 2.279 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000337948815 214327546 /nfs/dbraw/zinc/32/75/46/214327546.db2.gz JSASQSPFSVIKLN-HXUWFJFHSA-N 2 1 291.420 2.109 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000037825974 361950733 /nfs/dbraw/zinc/95/07/33/361950733.db2.gz XPEYHYDQGADKFK-HOCLYGCPSA-N 2 1 297.487 2.330 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337987265 214345389 /nfs/dbraw/zinc/34/53/89/214345389.db2.gz INBFCZSKVDUVPH-BBWFWOEESA-N 2 1 280.456 2.392 20 0 CEADMP COC[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125515399 187189157 /nfs/dbraw/zinc/18/91/57/187189157.db2.gz QHNPDSFAXPNHOV-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP COC[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125515399 187189158 /nfs/dbraw/zinc/18/91/58/187189158.db2.gz QHNPDSFAXPNHOV-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP COCC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)C(C)(C)C ZINC000338016399 214361937 /nfs/dbraw/zinc/36/19/37/214361937.db2.gz DWTGLBFQALFVOB-OAHLLOKOSA-N 2 1 286.460 2.138 20 0 CEADMP CC[C@H]([NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000350784766 219060474 /nfs/dbraw/zinc/06/04/74/219060474.db2.gz UMHYAHAFULCRQO-LBPRGKRZSA-N 2 1 260.341 2.208 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621660080 349654202 /nfs/dbraw/zinc/65/42/02/349654202.db2.gz ZKVLLQXFSJUPDW-GJZGRUSLSA-N 2 1 283.460 2.003 20 0 CEADMP CCCOc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320084 539182041 /nfs/dbraw/zinc/18/20/41/539182041.db2.gz GHVQEXNSDZGEGJ-GJZGRUSLSA-N 2 1 260.381 2.127 20 0 CEADMP Cc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccn1 ZINC000621776865 349699410 /nfs/dbraw/zinc/69/94/10/349699410.db2.gz YMBYBNJLTIOWEY-AWEZNQCLSA-N 2 1 259.397 2.354 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000621782084 349701188 /nfs/dbraw/zinc/70/11/88/349701188.db2.gz MGKTYQJNQOVFSL-DOTOQJQBSA-N 2 1 282.391 2.186 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000621782084 349701193 /nfs/dbraw/zinc/70/11/93/349701193.db2.gz MGKTYQJNQOVFSL-DOTOQJQBSA-N 2 1 282.391 2.186 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621782238 349701827 /nfs/dbraw/zinc/70/18/27/349701827.db2.gz NYMQPQHYHHJLEQ-HOCLYGCPSA-N 2 1 259.397 2.066 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621782238 349701833 /nfs/dbraw/zinc/70/18/33/349701833.db2.gz NYMQPQHYHHJLEQ-HOCLYGCPSA-N 2 1 259.397 2.066 20 0 CEADMP Cc1nn(C)cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000125973595 365692882 /nfs/dbraw/zinc/69/28/82/365692882.db2.gz ZKZVDJZEIHSFIC-UHFFFAOYSA-N 2 1 264.417 2.081 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCc2cnn(C)c2)C1 ZINC000081516131 539265739 /nfs/dbraw/zinc/26/57/39/539265739.db2.gz WSAJBFIBRDMNKB-MRXNPFEDSA-N 2 1 278.444 2.016 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCc2cnn(C)c2)C1 ZINC000081516131 539265741 /nfs/dbraw/zinc/26/57/41/539265741.db2.gz WSAJBFIBRDMNKB-MRXNPFEDSA-N 2 1 278.444 2.016 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCc2cnn(C)c2)C1 ZINC000081516131 539265742 /nfs/dbraw/zinc/26/57/42/539265742.db2.gz WSAJBFIBRDMNKB-MRXNPFEDSA-N 2 1 278.444 2.016 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042170178 362066445 /nfs/dbraw/zinc/06/64/45/362066445.db2.gz HCMMYIIJGYRPNQ-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000336606776 365711209 /nfs/dbraw/zinc/71/12/09/365711209.db2.gz NAXKLRHCFMGREV-SWLSCSKDSA-N 2 1 270.380 2.246 20 0 CEADMP Cc1cc(C)n(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000126417673 187238521 /nfs/dbraw/zinc/23/85/21/187238521.db2.gz QCHVREFRQUHIGS-MQVJKMGUSA-N 2 1 276.428 2.105 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccccc1 ZINC000042895008 362128809 /nfs/dbraw/zinc/12/88/09/362128809.db2.gz QHGQSSUDUGEYFW-YCPHGPKFSA-N 2 1 262.397 2.384 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000044535449 343474333 /nfs/dbraw/zinc/47/43/33/343474333.db2.gz BNWFFTDJYJMMOH-ZDUSSCGKSA-N 2 1 266.360 2.266 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000044535449 343474334 /nfs/dbraw/zinc/47/43/34/343474334.db2.gz BNWFFTDJYJMMOH-ZDUSSCGKSA-N 2 1 266.360 2.266 20 0 CEADMP CC(C)[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000672824610 539321779 /nfs/dbraw/zinc/32/17/79/539321779.db2.gz IGIFXTOBYJFQGA-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP c1ccc(COCCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000336697635 365765341 /nfs/dbraw/zinc/76/53/41/365765341.db2.gz BGJQQERGTNRNLO-QGZVFWFLSA-N 2 1 274.408 2.279 20 0 CEADMP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000228079155 539324770 /nfs/dbraw/zinc/32/47/70/539324770.db2.gz KCWUSRQXXJGTCR-HUUCEWRRSA-N 2 1 262.397 2.351 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC(c2ccccc2)CC1)C1CC1 ZINC000351335086 219090496 /nfs/dbraw/zinc/09/04/96/219090496.db2.gz GCIBFJRGSFKQDR-GOSISDBHSA-N 2 1 288.435 2.321 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC(c2ccccc2)CC1)C1CC1 ZINC000351335086 219090498 /nfs/dbraw/zinc/09/04/98/219090498.db2.gz GCIBFJRGSFKQDR-GOSISDBHSA-N 2 1 288.435 2.321 20 0 CEADMP Cc1csc([C@H]([NH2+]CCc2c[nH+]cn2C)C2CC2)n1 ZINC000298252496 539328308 /nfs/dbraw/zinc/32/83/08/539328308.db2.gz DNANAPXVMUHNCE-CYBMUJFWSA-N 2 1 276.409 2.468 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C(C)C)C1CCOCC1 ZINC000336711651 365776202 /nfs/dbraw/zinc/77/62/02/365776202.db2.gz NZUZOYXVEORATQ-UHFFFAOYSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C(C)C)C1CCOCC1 ZINC000336711651 365776205 /nfs/dbraw/zinc/77/62/05/365776205.db2.gz NZUZOYXVEORATQ-UHFFFAOYSA-N 2 1 251.374 2.081 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCOCC2)C[C@@H]1C ZINC000336706413 365771738 /nfs/dbraw/zinc/77/17/38/365771738.db2.gz JWFMJBLDYILHLI-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCOCC2)C[C@@H]1C ZINC000336706413 365771741 /nfs/dbraw/zinc/77/17/41/365771741.db2.gz JWFMJBLDYILHLI-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCOCC2)C[C@@H]1C ZINC000336706413 365771746 /nfs/dbraw/zinc/77/17/46/365771746.db2.gz JWFMJBLDYILHLI-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000449560247 282283588 /nfs/dbraw/zinc/28/35/88/282283588.db2.gz IJKUCILEGSZVFD-KQAHENDYSA-N 2 1 266.429 2.261 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561685 282283788 /nfs/dbraw/zinc/28/37/88/282283788.db2.gz XDJWNQPZNRETEY-OHRKKDJYSA-N 2 1 266.429 2.406 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351491326 219105150 /nfs/dbraw/zinc/10/51/50/219105150.db2.gz JNEJZQXYHLLPTD-XHSDSOJGSA-N 2 1 274.408 2.433 20 0 CEADMP COCCNc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000127004559 187275486 /nfs/dbraw/zinc/27/54/86/187275486.db2.gz NNCKFRLGYBXKLJ-WMLDXEAASA-N 2 1 291.439 2.317 20 0 CEADMP CC(C)C[N@H+](C[C@@H](O)C[NH+](C)C1CC1)CC(C)(C)C ZINC000351543573 219120353 /nfs/dbraw/zinc/12/03/53/219120353.db2.gz SJURWUMPZJGEAX-HNNXBMFYSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)C[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)CC(C)(C)C ZINC000351543573 219120354 /nfs/dbraw/zinc/12/03/54/219120354.db2.gz SJURWUMPZJGEAX-HNNXBMFYSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC(C)(C)C ZINC000351543573 219120356 /nfs/dbraw/zinc/12/03/56/219120356.db2.gz SJURWUMPZJGEAX-HNNXBMFYSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC(C)(C)C ZINC000351543573 219120358 /nfs/dbraw/zinc/12/03/58/219120358.db2.gz SJURWUMPZJGEAX-HNNXBMFYSA-N 2 1 270.461 2.446 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1cc(Cl)cc(Cl)c1 ZINC000357086286 529922890 /nfs/dbraw/zinc/92/28/90/529922890.db2.gz UPOYPLFIJGSWAD-UHFFFAOYSA-N 2 1 277.195 2.401 20 0 CEADMP CC1CC[NH+](CCCNc2cc[nH+]c(N(C)C)n2)CC1 ZINC000077486724 343921945 /nfs/dbraw/zinc/92/19/45/343921945.db2.gz IYQVNSUQYYAXPL-UHFFFAOYSA-N 2 1 277.416 2.077 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(F)c(F)c1 ZINC000089552177 344124647 /nfs/dbraw/zinc/12/46/47/344124647.db2.gz DSVYCGLQBJPLRT-NHYWBVRUSA-N 2 1 284.350 2.273 20 0 CEADMP CCc1ccc([C@H](CO)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000090843851 344144254 /nfs/dbraw/zinc/14/42/54/344144254.db2.gz MABIXYWDQCOZCU-KSZLIROESA-N 2 1 288.435 2.499 20 0 CEADMP CCc1ccc([C@H](CO)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000090843851 344144256 /nfs/dbraw/zinc/14/42/56/344144256.db2.gz MABIXYWDQCOZCU-KSZLIROESA-N 2 1 288.435 2.499 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCO1 ZINC000090857311 344144665 /nfs/dbraw/zinc/14/46/65/344144665.db2.gz YUWCNPBBAOYISR-APIJFGDWSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000090911891 344146691 /nfs/dbraw/zinc/14/66/91/344146691.db2.gz SWHMCDHPSFXBPT-BBRMVZONSA-N 2 1 289.423 2.443 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000090911891 344146693 /nfs/dbraw/zinc/14/66/93/344146693.db2.gz SWHMCDHPSFXBPT-BBRMVZONSA-N 2 1 289.423 2.443 20 0 CEADMP CCc1ccc([C@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)C)cc1 ZINC000091334539 344161447 /nfs/dbraw/zinc/16/14/47/344161447.db2.gz NAAOSJHDHCGMIE-DLBZAZTESA-N 2 1 278.440 2.458 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC3(C(C)C)CC3)C2)CC1 ZINC000602462844 347042869 /nfs/dbraw/zinc/04/28/69/347042869.db2.gz CTLCZXUOCQLBEO-MRXNPFEDSA-N 2 1 279.472 2.134 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000124521335 344314726 /nfs/dbraw/zinc/31/47/26/344314726.db2.gz YXRUWPGVQQWTBN-LSDHHAIUSA-N 2 1 262.397 2.494 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000130529848 344353307 /nfs/dbraw/zinc/35/33/07/344353307.db2.gz FVMSJFKULQGCSO-HIFRSBDPSA-N 2 1 262.397 2.255 20 0 CEADMP Cc1[nH+]cc(CN2CCc3nc(C(C)(C)C)ncc3C2)n1C ZINC000140557563 344398353 /nfs/dbraw/zinc/39/83/53/344398353.db2.gz JXGVFDPPAPWGDT-UHFFFAOYSA-N 2 1 299.422 2.374 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1CCC[C@H](C[NH3+])C1)O[C@@H](C)C2 ZINC000159090929 344452856 /nfs/dbraw/zinc/45/28/56/344452856.db2.gz DGIZNXAFPNGUDH-QWHCGFSZSA-N 2 1 290.407 2.189 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CCC[C@H](C[NH3+])C1)O[C@@H](C)C2 ZINC000159090929 344452859 /nfs/dbraw/zinc/45/28/59/344452859.db2.gz DGIZNXAFPNGUDH-QWHCGFSZSA-N 2 1 290.407 2.189 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(F)cc1F ZINC000162985826 344469237 /nfs/dbraw/zinc/46/92/37/344469237.db2.gz NTLQFWBEVPBSBG-NHYWBVRUSA-N 2 1 268.351 2.437 20 0 CEADMP CC1CCC(O)(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000169030485 344480872 /nfs/dbraw/zinc/48/08/72/344480872.db2.gz ZLVWNKCMDVKCPV-LVDPKSTMSA-N 2 1 266.429 2.144 20 0 CEADMP CC1CCC(O)(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000169030485 344480875 /nfs/dbraw/zinc/48/08/75/344480875.db2.gz ZLVWNKCMDVKCPV-LVDPKSTMSA-N 2 1 266.429 2.144 20 0 CEADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000191977666 344516244 /nfs/dbraw/zinc/51/62/44/344516244.db2.gz NJTKMLBGTRBMSH-UHFFFAOYSA-N 2 1 268.364 2.107 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000250645285 344633814 /nfs/dbraw/zinc/63/38/14/344633814.db2.gz VBZRLSRICHXCDS-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)CCc1ccccc1 ZINC000312759859 344739567 /nfs/dbraw/zinc/73/95/67/344739567.db2.gz NNDINWMDHZJFKV-MRXNPFEDSA-N 2 1 278.440 2.300 20 0 CEADMP C[NH2+][C@@H](C)Cc1noc([C@H]([NH3+])CC2CCCCC2)n1 ZINC000414490536 530041822 /nfs/dbraw/zinc/04/18/22/530041822.db2.gz OKNPLSKOJYWAKK-CMPLNLGQSA-N 2 1 266.389 2.190 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000414425774 530047478 /nfs/dbraw/zinc/04/74/78/530047478.db2.gz GAPYXZQRRGUZRN-UHFFFAOYSA-N 2 1 296.317 2.360 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411926037 530056753 /nfs/dbraw/zinc/05/67/53/530056753.db2.gz OOUKYNHJXVNYOJ-BRWVUGGUSA-N 2 1 274.408 2.279 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411926037 530056754 /nfs/dbraw/zinc/05/67/54/530056754.db2.gz OOUKYNHJXVNYOJ-BRWVUGGUSA-N 2 1 274.408 2.279 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411926037 530056755 /nfs/dbraw/zinc/05/67/55/530056755.db2.gz OOUKYNHJXVNYOJ-BRWVUGGUSA-N 2 1 274.408 2.279 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000394450094 344842465 /nfs/dbraw/zinc/84/24/65/344842465.db2.gz SJFLSDAXBNBIGS-INIZCTEOSA-N 2 1 284.407 2.102 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000394450094 344842467 /nfs/dbraw/zinc/84/24/67/344842467.db2.gz SJFLSDAXBNBIGS-INIZCTEOSA-N 2 1 284.407 2.102 20 0 CEADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000584718924 344979788 /nfs/dbraw/zinc/97/97/88/344979788.db2.gz BBOHEYDNVFMBJX-HUUCEWRRSA-N 2 1 283.460 2.081 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000351622827 219149897 /nfs/dbraw/zinc/14/98/97/219149897.db2.gz SRAXOTOJOWHUEO-KURKYZTESA-N 2 1 288.435 2.367 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000351622827 219149899 /nfs/dbraw/zinc/14/98/99/219149899.db2.gz SRAXOTOJOWHUEO-KURKYZTESA-N 2 1 288.435 2.367 20 0 CEADMP c1nc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2[nH]1 ZINC000589641449 345091038 /nfs/dbraw/zinc/09/10/38/345091038.db2.gz JENPYSCKKHHGTC-UONOGXRCSA-N 2 1 270.380 2.279 20 0 CEADMP c1nc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2[nH]1 ZINC000589641449 345091040 /nfs/dbraw/zinc/09/10/40/345091040.db2.gz JENPYSCKKHHGTC-UONOGXRCSA-N 2 1 270.380 2.279 20 0 CEADMP c1nc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2[nH]1 ZINC000589641449 345091043 /nfs/dbraw/zinc/09/10/43/345091043.db2.gz JENPYSCKKHHGTC-UONOGXRCSA-N 2 1 270.380 2.279 20 0 CEADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000591272396 345236728 /nfs/dbraw/zinc/23/67/28/345236728.db2.gz HKVKARABDDMYFQ-RRFJBIMHSA-N 2 1 296.455 2.286 20 0 CEADMP COC(=O)c1csc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000591578397 345265813 /nfs/dbraw/zinc/26/58/13/345265813.db2.gz YVQYVGNYJZADNR-PWSUYJOCSA-N 2 1 282.409 2.327 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592433617 345352680 /nfs/dbraw/zinc/35/26/80/345352680.db2.gz MIUAODTYTFXXKM-CABCVRRESA-N 2 1 296.455 2.287 20 0 CEADMP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592491691 345360170 /nfs/dbraw/zinc/36/01/70/345360170.db2.gz HWEISTAAEZZYCB-ZNMIVQPWSA-N 2 1 282.428 2.040 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C[C@@H]1C[NH3+] ZINC000229332032 539463867 /nfs/dbraw/zinc/46/38/67/539463867.db2.gz MKGLGNVVIVQVEK-ILXRZTDVSA-N 2 1 266.429 2.395 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)[C@@H]1SC ZINC000593644366 345515915 /nfs/dbraw/zinc/51/59/15/345515915.db2.gz CLONONPPAOODKE-ZNMIVQPWSA-N 2 1 288.501 2.463 20 0 CEADMP CSCC1(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000595069762 345739722 /nfs/dbraw/zinc/73/97/22/345739722.db2.gz KNOTVRRHJNPIFK-OAHLLOKOSA-N 2 1 298.496 2.363 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000594925647 345705016 /nfs/dbraw/zinc/70/50/16/345705016.db2.gz LZGXQTSRDTZIEJ-BYNSBNAKSA-N 2 1 296.455 2.284 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000594925647 345705018 /nfs/dbraw/zinc/70/50/18/345705018.db2.gz LZGXQTSRDTZIEJ-BYNSBNAKSA-N 2 1 296.455 2.284 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CSCCF)C1 ZINC000595012103 345726588 /nfs/dbraw/zinc/72/65/88/345726588.db2.gz DTXJDZQTZDKBLC-CHWSQXEVSA-N 2 1 262.438 2.399 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC3CCC3)C2)CC1 ZINC000595339779 345764621 /nfs/dbraw/zinc/76/46/21/345764621.db2.gz RBCZKPBPPLLFKO-QGZVFWFLSA-N 2 1 279.472 2.277 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](CC2CCOCC2)CC1 ZINC000171828911 232270252 /nfs/dbraw/zinc/27/02/52/232270252.db2.gz SIQVGXLSACTOKI-UHFFFAOYSA-N 2 1 277.412 2.101 20 0 CEADMP CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900570 345910003 /nfs/dbraw/zinc/91/00/03/345910003.db2.gz HBIGAZVOHZQUMX-HUUCEWRRSA-N 2 1 282.428 2.040 20 0 CEADMP CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900247 345910213 /nfs/dbraw/zinc/91/02/13/345910213.db2.gz CEXCKYCMMTUHOJ-HOTGVXAUSA-N 2 1 296.455 2.430 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000178704932 232377139 /nfs/dbraw/zinc/37/71/39/232377139.db2.gz QYHNSPFFFSMVNY-VNHYZAJKSA-N 2 1 276.428 2.042 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2cc(C)c(C(=O)OC)[nH]2)CC1 ZINC000602586706 347090332 /nfs/dbraw/zinc/09/03/32/347090332.db2.gz NGDPZHRJFNAQRQ-UHFFFAOYSA-N 2 1 293.411 2.074 20 0 CEADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000062014461 362701501 /nfs/dbraw/zinc/70/15/01/362701501.db2.gz OCGOFPVPVHBAQL-ZDUSSCGKSA-N 2 1 281.831 2.238 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000599023118 346447429 /nfs/dbraw/zinc/44/74/29/346447429.db2.gz BJTQYNYJCIZKPM-SSHXOBKSSA-N 2 1 294.439 2.325 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000599023118 346447431 /nfs/dbraw/zinc/44/74/31/346447431.db2.gz BJTQYNYJCIZKPM-SSHXOBKSSA-N 2 1 294.439 2.325 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC(CC(=O)OC)CC2)C1 ZINC000599035355 346449680 /nfs/dbraw/zinc/44/96/80/346449680.db2.gz VBMSVCUZZOUCCP-HWOWSKLDSA-N 2 1 296.455 2.430 20 0 CEADMP COC1(C)CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000336791324 365813531 /nfs/dbraw/zinc/81/35/31/365813531.db2.gz NBQPOHAPHMEEQE-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCC2CCOCC2)CC[N@@H+]1C ZINC000336795484 365817663 /nfs/dbraw/zinc/81/76/63/365817663.db2.gz KXJVRIQELUYSRK-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCC2CCOCC2)CC[N@H+]1C ZINC000336795484 365817669 /nfs/dbraw/zinc/81/76/69/365817669.db2.gz KXJVRIQELUYSRK-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CCC2CCOCC2)CC[NH+]1C ZINC000336795484 365817674 /nfs/dbraw/zinc/81/76/74/365817674.db2.gz KXJVRIQELUYSRK-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCC2CCOCC2)CC[NH+]1C ZINC000336795484 365817681 /nfs/dbraw/zinc/81/76/81/365817681.db2.gz KXJVRIQELUYSRK-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP CC/C=C\CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000568274491 299133303 /nfs/dbraw/zinc/13/33/03/299133303.db2.gz GUFKEZHRJIMNAE-ARJAWSKDSA-N 2 1 266.429 2.169 20 0 CEADMP CCC[N@H+](CCCCn1cc[nH+]c1C)CC(C)(C)O ZINC000336800458 365830494 /nfs/dbraw/zinc/83/04/94/365830494.db2.gz MECHPLQLPQTPNK-UHFFFAOYSA-N 2 1 267.417 2.455 20 0 CEADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)CC(C)(C)O ZINC000336800458 365830499 /nfs/dbraw/zinc/83/04/99/365830499.db2.gz MECHPLQLPQTPNK-UHFFFAOYSA-N 2 1 267.417 2.455 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000600190160 346619255 /nfs/dbraw/zinc/61/92/55/346619255.db2.gz KGZLELJOTQKEPM-HNNXBMFYSA-N 2 1 290.407 2.295 20 0 CEADMP Cc1cc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2C)on1 ZINC000336801908 365834459 /nfs/dbraw/zinc/83/44/59/365834459.db2.gz RSSFSZWUWATOPV-ZDUSSCGKSA-N 2 1 260.341 2.325 20 0 CEADMP Cc1cc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2C)on1 ZINC000336801908 365834465 /nfs/dbraw/zinc/83/44/65/365834465.db2.gz RSSFSZWUWATOPV-ZDUSSCGKSA-N 2 1 260.341 2.325 20 0 CEADMP CCOC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000336802322 365835018 /nfs/dbraw/zinc/83/50/18/365835018.db2.gz UBXHFCCTHVLTQN-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP CCOC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000336802322 365835022 /nfs/dbraw/zinc/83/50/22/365835022.db2.gz UBXHFCCTHVLTQN-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP Cc1cc(C)cc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000129201014 365835840 /nfs/dbraw/zinc/83/58/40/365835840.db2.gz DTDSTOGYCVYBEI-QGZVFWFLSA-N 2 1 288.435 2.458 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C(C)C)C1CCOCC1 ZINC000336802873 365837748 /nfs/dbraw/zinc/83/77/48/365837748.db2.gz WGCWOYADNBLBKT-UHFFFAOYSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C(C)C)C1CCOCC1 ZINC000336802873 365837754 /nfs/dbraw/zinc/83/77/54/365837754.db2.gz WGCWOYADNBLBKT-UHFFFAOYSA-N 2 1 265.401 2.471 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000602685426 347144850 /nfs/dbraw/zinc/14/48/50/347144850.db2.gz OWJWXQBWBNBRJJ-YJNKXOJESA-N 2 1 282.428 2.181 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602685426 347144856 /nfs/dbraw/zinc/14/48/56/347144856.db2.gz OWJWXQBWBNBRJJ-YJNKXOJESA-N 2 1 282.428 2.181 20 0 CEADMP COc1ccccc1CC[N@H+](C)CCn1cc[nH+]c1C ZINC000336823005 365876581 /nfs/dbraw/zinc/87/65/81/365876581.db2.gz NUSVTFSVFZVOQH-UHFFFAOYSA-N 2 1 273.380 2.375 20 0 CEADMP COc1ccccc1CC[N@@H+](C)CCn1cc[nH+]c1C ZINC000336823005 365876586 /nfs/dbraw/zinc/87/65/86/365876586.db2.gz NUSVTFSVFZVOQH-UHFFFAOYSA-N 2 1 273.380 2.375 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)nc2)[C@H](C)C1 ZINC000085822539 179183641 /nfs/dbraw/zinc/18/36/41/179183641.db2.gz CLXSZOSZASOVPP-UKRRQHHQSA-N 2 1 277.412 2.252 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)nc2)[C@H](C)C1 ZINC000085822539 179183642 /nfs/dbraw/zinc/18/36/42/179183642.db2.gz CLXSZOSZASOVPP-UKRRQHHQSA-N 2 1 277.412 2.252 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)nc2)[C@H](C)C1 ZINC000085822539 179183643 /nfs/dbraw/zinc/18/36/43/179183643.db2.gz CLXSZOSZASOVPP-UKRRQHHQSA-N 2 1 277.412 2.252 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)nc2)[C@H](C)C1 ZINC000085822539 179183644 /nfs/dbraw/zinc/18/36/44/179183644.db2.gz CLXSZOSZASOVPP-UKRRQHHQSA-N 2 1 277.412 2.252 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)CSC)CC1 ZINC000602952183 347255268 /nfs/dbraw/zinc/25/52/68/347255268.db2.gz XZEAUYMAIGKFHZ-CQSZACIVSA-N 2 1 286.485 2.051 20 0 CEADMP C[C@@H](F)CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000351834078 219221305 /nfs/dbraw/zinc/22/13/05/219221305.db2.gz KCHNMAPACKIMJB-NVXWUHKLSA-N 2 1 294.414 2.303 20 0 CEADMP C[C@@H](F)CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000351834078 219221307 /nfs/dbraw/zinc/22/13/07/219221307.db2.gz KCHNMAPACKIMJB-NVXWUHKLSA-N 2 1 294.414 2.303 20 0 CEADMP C[C@@H](F)CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000351834078 219221309 /nfs/dbraw/zinc/22/13/09/219221309.db2.gz KCHNMAPACKIMJB-NVXWUHKLSA-N 2 1 294.414 2.303 20 0 CEADMP C[C@@H](F)CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000351834078 219221312 /nfs/dbraw/zinc/22/13/12/219221312.db2.gz KCHNMAPACKIMJB-NVXWUHKLSA-N 2 1 294.414 2.303 20 0 CEADMP CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000129689676 365886196 /nfs/dbraw/zinc/88/61/96/365886196.db2.gz KNJYBKAIVPUPAM-BFHYXJOUSA-N 2 1 279.384 2.108 20 0 CEADMP CCCOC(=O)[C@@H](C)[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000129689676 365886198 /nfs/dbraw/zinc/88/61/98/365886198.db2.gz KNJYBKAIVPUPAM-BFHYXJOUSA-N 2 1 279.384 2.108 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCOc3ccc(F)cc3)C[C@H]12 ZINC000336834434 365902405 /nfs/dbraw/zinc/90/24/05/365902405.db2.gz RHXZYADWPPXTKG-VBNZEHGJSA-N 2 1 278.371 2.264 20 0 CEADMP Cc1noc(CCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000336834827 365902419 /nfs/dbraw/zinc/90/24/19/365902419.db2.gz HOWPFHIBVXMKQK-HNNXBMFYSA-N 2 1 292.427 2.261 20 0 CEADMP Cc1noc(CCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000336834827 365902422 /nfs/dbraw/zinc/90/24/22/365902422.db2.gz HOWPFHIBVXMKQK-HNNXBMFYSA-N 2 1 292.427 2.261 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000351856231 219228179 /nfs/dbraw/zinc/22/81/79/219228179.db2.gz UTVRRQUFIAUTAJ-ZYHUDNBSSA-N 2 1 270.323 2.457 20 0 CEADMP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000611782074 347816166 /nfs/dbraw/zinc/81/61/66/347816166.db2.gz FZAQOEMINDZGJY-HUUCEWRRSA-N 2 1 293.411 2.498 20 0 CEADMP CCOC(=O)[C@@H](CC(C)C)N1CCC[C@@H](n2ccnc2)C1 ZINC000611782074 347816168 /nfs/dbraw/zinc/81/61/68/347816168.db2.gz FZAQOEMINDZGJY-HUUCEWRRSA-N 2 1 293.411 2.498 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)CC[N@H+]1C ZINC000273317316 192110841 /nfs/dbraw/zinc/11/08/41/192110841.db2.gz YHPWOYBCTVNAHU-OIISXLGYSA-N 2 1 276.424 2.052 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC1CCCC1 ZINC000232133822 539593055 /nfs/dbraw/zinc/59/30/55/539593055.db2.gz FOULAOXSRUCORI-OAGGEKHMSA-N 2 1 266.429 2.144 20 0 CEADMP c1nc2ccccn2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000614329349 348179645 /nfs/dbraw/zinc/17/96/45/348179645.db2.gz GASLAXVGKVGHFV-KGLIPLIRSA-N 2 1 270.380 2.051 20 0 CEADMP c1nc2ccccn2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000614329349 348179648 /nfs/dbraw/zinc/17/96/48/348179648.db2.gz GASLAXVGKVGHFV-KGLIPLIRSA-N 2 1 270.380 2.051 20 0 CEADMP C[N@@H+](CCCc1ccc2c(c1)CCO2)CC(C)(C)C[NH3+] ZINC000339410345 215155243 /nfs/dbraw/zinc/15/52/43/215155243.db2.gz RBYXHOGQHMJXEF-UHFFFAOYSA-N 2 1 276.424 2.471 20 0 CEADMP Cc1ccc([C@@H]2CCCC[N@H+]2CCOCC[NH3+])cc1 ZINC000357092535 233005294 /nfs/dbraw/zinc/00/52/94/233005294.db2.gz XEXPOPQVXIEWMV-INIZCTEOSA-N 2 1 262.397 2.497 20 0 CEADMP CC[C@H](C)[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000456513637 539636299 /nfs/dbraw/zinc/63/62/99/539636299.db2.gz BFJRSJWOWBWZMK-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOC[C@@H]2CCCO2)CC1(C)C ZINC000623343899 349993187 /nfs/dbraw/zinc/99/31/87/349993187.db2.gz OEVSKPALRLXWHC-GJZGRUSLSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCC[NH+]1CCCC1(C)C ZINC000457056389 539654581 /nfs/dbraw/zinc/65/45/81/539654581.db2.gz NRSTVAPDZKREAE-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1CCCC[NH+]1CCC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457056389 539654586 /nfs/dbraw/zinc/65/45/86/539654586.db2.gz NRSTVAPDZKREAE-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1CCCC[NH+]1CCC(=O)NCC[N@H+]1CCCC1(C)C ZINC000457056389 539654589 /nfs/dbraw/zinc/65/45/89/539654589.db2.gz NRSTVAPDZKREAE-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617922024 348823407 /nfs/dbraw/zinc/82/34/07/348823407.db2.gz CHKZBGVRTYIIAG-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCCC[C@@H]2C)C1 ZINC000339281432 539688227 /nfs/dbraw/zinc/68/82/27/539688227.db2.gz JEDLBWVQQJNCDJ-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000339281432 539688231 /nfs/dbraw/zinc/68/82/31/539688231.db2.gz JEDLBWVQQJNCDJ-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000339281432 539688236 /nfs/dbraw/zinc/68/82/36/539688236.db2.gz JEDLBWVQQJNCDJ-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCCC[C@@H]2C)C1 ZINC000339281430 539688274 /nfs/dbraw/zinc/68/82/74/539688274.db2.gz JEDLBWVQQJNCDJ-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000339281430 539688278 /nfs/dbraw/zinc/68/82/78/539688278.db2.gz JEDLBWVQQJNCDJ-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000339281430 539688281 /nfs/dbraw/zinc/68/82/81/539688281.db2.gz JEDLBWVQQJNCDJ-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400414922 233177932 /nfs/dbraw/zinc/17/79/32/233177932.db2.gz UVRVAOXPGKRSAK-DOMZBBRYSA-N 2 1 250.361 2.407 20 0 CEADMP CCOC1CC(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)C1 ZINC000352014471 219289771 /nfs/dbraw/zinc/28/97/71/219289771.db2.gz NFDFCUUBSLGYNK-CGZBRXJRSA-N 2 1 298.471 2.234 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623383867 350005131 /nfs/dbraw/zinc/00/51/31/350005131.db2.gz DVYGHSCCYDYNOZ-CABCVRRESA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CC[C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623383867 350005135 /nfs/dbraw/zinc/00/51/35/350005135.db2.gz DVYGHSCCYDYNOZ-CABCVRRESA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623383867 350005138 /nfs/dbraw/zinc/00/51/38/350005138.db2.gz DVYGHSCCYDYNOZ-CABCVRRESA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623383867 350005141 /nfs/dbraw/zinc/00/51/41/350005141.db2.gz DVYGHSCCYDYNOZ-CABCVRRESA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623383867 350005145 /nfs/dbraw/zinc/00/51/45/350005145.db2.gz DVYGHSCCYDYNOZ-CABCVRRESA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623383867 350005148 /nfs/dbraw/zinc/00/51/48/350005148.db2.gz DVYGHSCCYDYNOZ-CABCVRRESA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623383867 350005150 /nfs/dbraw/zinc/00/51/50/350005150.db2.gz DVYGHSCCYDYNOZ-CABCVRRESA-N 3 1 267.461 2.179 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1(C)C ZINC000623471987 350028326 /nfs/dbraw/zinc/02/83/26/350028326.db2.gz AFMLECMJMHOHHC-XQLPTFJDSA-N 2 1 278.440 2.406 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)CC1(C)C ZINC000623478187 350029888 /nfs/dbraw/zinc/02/98/88/350029888.db2.gz CLIQQHUCDBMYFB-HZPDHXFCSA-N 2 1 294.414 2.192 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)CC1(C)C ZINC000623478188 350029954 /nfs/dbraw/zinc/02/99/54/350029954.db2.gz CLIQQHUCDBMYFB-JKSUJKDBSA-N 2 1 294.414 2.192 20 0 CEADMP C[N@H+]1CCCC[C@H](CNCc2n[nH]c3ccccc32)C1 ZINC000623656093 350076036 /nfs/dbraw/zinc/07/60/36/350076036.db2.gz MURXBZLDQXZWJE-CYBMUJFWSA-N 2 1 272.396 2.384 20 0 CEADMP Cn1c2ccccc2nc1CNC[C@H]1CCCC[N@@H+](C)C1 ZINC000623656488 350076119 /nfs/dbraw/zinc/07/61/19/350076119.db2.gz VIVYBVIFWAKNBY-CQSZACIVSA-N 2 1 286.423 2.395 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@H]2CCCC[NH+](C)C2)CC1(C)C ZINC000623657531 350076768 /nfs/dbraw/zinc/07/67/68/350076768.db2.gz TUEBRHQCVWEPLS-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@H](NC[C@H]2CCCC[N@H+](C)C2)CC1(C)C ZINC000623657531 350076772 /nfs/dbraw/zinc/07/67/72/350076772.db2.gz TUEBRHQCVWEPLS-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@H](NC[C@H]2CCCC[N@@H+](C)C2)CC1(C)C ZINC000623657531 350076775 /nfs/dbraw/zinc/07/67/75/350076775.db2.gz TUEBRHQCVWEPLS-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)CC1(C)C ZINC000623657531 350076779 /nfs/dbraw/zinc/07/67/79/350076779.db2.gz TUEBRHQCVWEPLS-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)CC1(C)C ZINC000623657531 350076782 /nfs/dbraw/zinc/07/67/82/350076782.db2.gz TUEBRHQCVWEPLS-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CC1(C)C ZINC000623657531 350076787 /nfs/dbraw/zinc/07/67/87/350076787.db2.gz TUEBRHQCVWEPLS-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1(C)C ZINC000623657531 350076789 /nfs/dbraw/zinc/07/67/89/350076789.db2.gz TUEBRHQCVWEPLS-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCCC2(C)C)CC1(C)C ZINC000623532980 350043043 /nfs/dbraw/zinc/04/30/43/350043043.db2.gz ODRCSOMUHKWXLU-XJKSGUPXSA-N 2 1 268.445 2.390 20 0 CEADMP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623541520 350045067 /nfs/dbraw/zinc/04/50/67/350045067.db2.gz NNTUEKMNMAZGOL-UBHSHLNASA-N 2 1 254.418 2.262 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411844962 233286790 /nfs/dbraw/zinc/28/67/90/233286790.db2.gz KDKARFXCLFITCV-INIZCTEOSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411844962 233286793 /nfs/dbraw/zinc/28/67/93/233286793.db2.gz KDKARFXCLFITCV-INIZCTEOSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411921293 233300133 /nfs/dbraw/zinc/30/01/33/233300133.db2.gz DJFXVJOWPSJSNQ-DLBZAZTESA-N 2 1 285.391 2.390 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411921293 233300136 /nfs/dbraw/zinc/30/01/36/233300136.db2.gz DJFXVJOWPSJSNQ-DLBZAZTESA-N 2 1 285.391 2.390 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121998 350200334 /nfs/dbraw/zinc/20/03/34/350200334.db2.gz HOEQHXTUCPBKSY-WCQYABFASA-N 2 1 250.390 2.101 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121998 350200337 /nfs/dbraw/zinc/20/03/37/350200337.db2.gz HOEQHXTUCPBKSY-WCQYABFASA-N 2 1 250.390 2.101 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cnn(C)c1 ZINC000624121287 350198895 /nfs/dbraw/zinc/19/88/95/350198895.db2.gz SHFKLSCVULQMMK-UKRRQHHQSA-N 2 1 264.417 2.193 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)ccn1 ZINC000624123358 350200631 /nfs/dbraw/zinc/20/06/31/350200631.db2.gz KNOFRDOUIXUKFM-ZIAGYGMSSA-N 2 1 277.412 2.473 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccn1 ZINC000624123358 350200635 /nfs/dbraw/zinc/20/06/35/350200635.db2.gz KNOFRDOUIXUKFM-ZIAGYGMSSA-N 2 1 277.412 2.473 20 0 CEADMP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123379 350201331 /nfs/dbraw/zinc/20/13/31/350201331.db2.gz KYZPGFYAZGSEDI-DLBZAZTESA-N 2 1 298.471 2.140 20 0 CEADMP C[C@@H](C(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000104928129 186032784 /nfs/dbraw/zinc/03/27/84/186032784.db2.gz MIFMZHWMABAOTL-KFWWJZLASA-N 2 1 295.471 2.238 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000624223454 350234366 /nfs/dbraw/zinc/23/43/66/350234366.db2.gz UUKKWLKTFIMZQF-QXKUPLGCSA-N 2 1 264.413 2.016 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCC([NH3+])CC1 ZINC000091843965 180269153 /nfs/dbraw/zinc/26/91/53/180269153.db2.gz XXXDQUOYOZAUPJ-UHFFFAOYSA-N 2 1 260.381 2.323 20 0 CEADMP COc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)c(OC)c1 ZINC000091844411 180269558 /nfs/dbraw/zinc/26/95/58/180269558.db2.gz DRPNOTHPMIQQMX-UHFFFAOYSA-N 2 1 278.396 2.406 20 0 CEADMP C[N@@H+](C[C@H]1COc2ccccc2O1)C1CCC([NH3+])CC1 ZINC000091847046 180270173 /nfs/dbraw/zinc/27/01/73/180270173.db2.gz YANJUWQLKZLSGV-RUXDESIVSA-N 2 1 276.380 2.028 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000625221597 350433968 /nfs/dbraw/zinc/43/39/68/350433968.db2.gz BFBIZFRGZNNAFP-BZUAXINKSA-N 2 1 266.429 2.218 20 0 CEADMP CCO[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000625221597 350433970 /nfs/dbraw/zinc/43/39/70/350433970.db2.gz BFBIZFRGZNNAFP-BZUAXINKSA-N 2 1 266.429 2.218 20 0 CEADMP CCO[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1CC1 ZINC000625221597 350433973 /nfs/dbraw/zinc/43/39/73/350433973.db2.gz BFBIZFRGZNNAFP-BZUAXINKSA-N 2 1 266.429 2.218 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CC1 ZINC000625221599 350434042 /nfs/dbraw/zinc/43/40/42/350434042.db2.gz BFBIZFRGZNNAFP-HRCADAONSA-N 2 1 266.429 2.218 20 0 CEADMP CCO[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000625221599 350434044 /nfs/dbraw/zinc/43/40/44/350434044.db2.gz BFBIZFRGZNNAFP-HRCADAONSA-N 2 1 266.429 2.218 20 0 CEADMP CCO[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1CC1 ZINC000625221599 350434048 /nfs/dbraw/zinc/43/40/48/350434048.db2.gz BFBIZFRGZNNAFP-HRCADAONSA-N 2 1 266.429 2.218 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C(C)C)C1(CO)CCC1 ZINC000339729404 215317304 /nfs/dbraw/zinc/31/73/04/215317304.db2.gz XIXVKOMCSFLRSX-HNNXBMFYSA-N 2 1 279.428 2.358 20 0 CEADMP CC[N@H+]1CCN(CC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000295156810 199376430 /nfs/dbraw/zinc/37/64/30/199376430.db2.gz GCWFRIWPQWDYQF-INIZCTEOSA-N 2 1 275.440 2.144 20 0 CEADMP CC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000295156810 199376432 /nfs/dbraw/zinc/37/64/32/199376432.db2.gz GCWFRIWPQWDYQF-INIZCTEOSA-N 2 1 275.440 2.144 20 0 CEADMP CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000295156810 199376434 /nfs/dbraw/zinc/37/64/34/199376434.db2.gz GCWFRIWPQWDYQF-INIZCTEOSA-N 2 1 275.440 2.144 20 0 CEADMP C[C@](O)(C[NH+]1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000106383078 186112243 /nfs/dbraw/zinc/11/22/43/186112243.db2.gz SZNBDJVHQJOGDO-SFHVURJKSA-N 2 1 288.435 2.454 20 0 CEADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000107317655 186169773 /nfs/dbraw/zinc/16/97/73/186169773.db2.gz WCQMCGIAWXLFMR-YOEHRIQHSA-N 2 1 292.423 2.142 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000107368978 186172168 /nfs/dbraw/zinc/17/21/68/186172168.db2.gz IHYXGBNPLGJRRB-AIADIJKESA-N 2 1 299.462 2.412 20 0 CEADMP CCO[C@@H](C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000625450236 350503120 /nfs/dbraw/zinc/50/31/20/350503120.db2.gz LIFWPZADWMZZSE-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CCO[C@@H](C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)C1CC1 ZINC000625450236 350503123 /nfs/dbraw/zinc/50/31/23/350503123.db2.gz LIFWPZADWMZZSE-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CCO[C@@H](C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)C1CC1 ZINC000625450236 350503125 /nfs/dbraw/zinc/50/31/25/350503125.db2.gz LIFWPZADWMZZSE-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cn2ccccc2n1 ZINC000130606380 365972486 /nfs/dbraw/zinc/97/24/86/365972486.db2.gz VYDBIVAXHXYTML-IJEWVQPXSA-N 3 1 286.423 2.195 20 0 CEADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCc1cn2ccccc2n1 ZINC000130606380 365972493 /nfs/dbraw/zinc/97/24/93/365972493.db2.gz VYDBIVAXHXYTML-IJEWVQPXSA-N 3 1 286.423 2.195 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777129 350566793 /nfs/dbraw/zinc/56/67/93/350566793.db2.gz ZZASKZBMKDNGLI-MJBXVCDLSA-N 2 1 254.443 2.441 20 0 CEADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N(C)C ZINC000626061913 350645280 /nfs/dbraw/zinc/64/52/80/350645280.db2.gz YSBPAYYUQQQPBX-CQSZACIVSA-N 2 1 291.439 2.047 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000628202462 351003085 /nfs/dbraw/zinc/00/30/85/351003085.db2.gz VNJJAJQLOVMWNU-MRXNPFEDSA-N 2 1 299.528 2.279 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC[C@H]2O)[C@@H](C)C1 ZINC000569066871 299176552 /nfs/dbraw/zinc/17/65/52/299176552.db2.gz ZHKZVJPVSLPYLU-YHUYYLMFSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC[C@H]2O)[C@@H](C)C1 ZINC000569066871 299176555 /nfs/dbraw/zinc/17/65/55/299176555.db2.gz ZHKZVJPVSLPYLU-YHUYYLMFSA-N 2 1 268.445 2.200 20 0 CEADMP CC1(C)Cc2occc2[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629519536 351386257 /nfs/dbraw/zinc/38/62/57/351386257.db2.gz AUQYQNUGHDVGKG-ZDUSSCGKSA-N 2 1 278.396 2.391 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2CC)C12CCC2 ZINC000629527314 351391224 /nfs/dbraw/zinc/39/12/24/351391224.db2.gz RMZXNNDNEAIUNY-DGAVXFQQSA-N 2 1 252.402 2.064 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C12CCCC2 ZINC000629542557 351403537 /nfs/dbraw/zinc/40/35/37/351403537.db2.gz FVQUQSUKIMWVEW-CBBWQLFWSA-N 2 1 266.429 2.454 20 0 CEADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407237 351354806 /nfs/dbraw/zinc/35/48/06/351354806.db2.gz XVJSTXMILWLADG-SGMGOOAPSA-N 2 1 276.380 2.076 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC23CCOCC3)C[NH2+]1 ZINC000629543048 351404239 /nfs/dbraw/zinc/40/42/39/351404239.db2.gz RPPPLUZTRNYKCC-HZSPNIEDSA-N 2 1 252.402 2.066 20 0 CEADMP COCc1cccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629595835 351426460 /nfs/dbraw/zinc/42/64/60/351426460.db2.gz RENFTIFHUYOYDS-CALCHBBNSA-N 2 1 274.408 2.264 20 0 CEADMP COCc1cccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629595835 351426463 /nfs/dbraw/zinc/42/64/63/351426463.db2.gz RENFTIFHUYOYDS-CALCHBBNSA-N 2 1 274.408 2.264 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC1=Cc2ccccc2OC1 ZINC000629647444 351446101 /nfs/dbraw/zinc/44/61/01/351446101.db2.gz VDEJVULVLMDNNA-STQMWFEESA-N 2 1 258.365 2.132 20 0 CEADMP CC(C)[C@H]1CN(CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000629651434 351449363 /nfs/dbraw/zinc/44/93/63/351449363.db2.gz QEJJTFWHOXUTFP-QGZVFWFLSA-N 2 1 275.440 2.178 20 0 CEADMP CCN(CC[NH3+])CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000629651469 351449394 /nfs/dbraw/zinc/44/93/94/351449394.db2.gz QXKLCRNTPKKLDS-UHFFFAOYSA-N 2 1 277.456 2.425 20 0 CEADMP c1ccc2c(c1)C=C(C[N@@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)CO2 ZINC000629654527 351452341 /nfs/dbraw/zinc/45/23/41/351452341.db2.gz QLSZFBXTRWDDIJ-CALCHBBNSA-N 2 1 284.403 2.394 20 0 CEADMP c1ccc2c(c1)C=C(C[N@@H+]1CC[C@H]3[NH2+]CC[C@H]3C1)CO2 ZINC000629655842 351452513 /nfs/dbraw/zinc/45/25/13/351452513.db2.gz XLAWJJUMOZMXLN-JKSUJKDBSA-N 2 1 270.376 2.146 20 0 CEADMP c1ccc2c(c1)C=C(C[N@H+]1CC[C@H]3[NH2+]CC[C@H]3C1)CO2 ZINC000629655842 351452517 /nfs/dbraw/zinc/45/25/17/351452517.db2.gz XLAWJJUMOZMXLN-JKSUJKDBSA-N 2 1 270.376 2.146 20 0 CEADMP C[C@H](C[N@@H+](C)CCOCC[NH3+])c1cccc(Cl)c1 ZINC000629667820 351458649 /nfs/dbraw/zinc/45/86/49/351458649.db2.gz XEVFQSUXZXUSFJ-GFCCVEGCSA-N 2 1 270.804 2.351 20 0 CEADMP CC(C)COCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560998 351414659 /nfs/dbraw/zinc/41/46/59/351414659.db2.gz GJWZUMSSTNFNFX-VXGBXAGGSA-N 2 1 282.350 2.118 20 0 CEADMP CC(C)COCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560998 351414660 /nfs/dbraw/zinc/41/46/60/351414660.db2.gz GJWZUMSSTNFNFX-VXGBXAGGSA-N 2 1 282.350 2.118 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000629566914 351417589 /nfs/dbraw/zinc/41/75/89/351417589.db2.gz BPCVRNGQBMWXKK-UHFFFAOYSA-N 2 1 290.329 2.373 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000629571063 351418671 /nfs/dbraw/zinc/41/86/71/351418671.db2.gz PGOWOWIKDQYKLV-UHFFFAOYSA-N 2 1 289.379 2.009 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000629571063 351418676 /nfs/dbraw/zinc/41/86/76/351418676.db2.gz PGOWOWIKDQYKLV-UHFFFAOYSA-N 2 1 289.379 2.009 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC000629572181 351419211 /nfs/dbraw/zinc/41/92/11/351419211.db2.gz OGHNRLWPLXAFCT-MRXNPFEDSA-N 2 1 280.387 2.371 20 0 CEADMP COC[C@H](C)[N@H+](C[C@@H](C)[NH3+])[C@@H]1CCc2ccccc21 ZINC000629590114 351425075 /nfs/dbraw/zinc/42/50/75/351425075.db2.gz MGCAOHKGEXHQHK-DVOMOZLQSA-N 2 1 262.397 2.358 20 0 CEADMP COC[C@H](C)[N@@H+](C[C@@H](C)[NH3+])[C@@H]1CCc2ccccc21 ZINC000629590114 351425078 /nfs/dbraw/zinc/42/50/78/351425078.db2.gz MGCAOHKGEXHQHK-DVOMOZLQSA-N 2 1 262.397 2.358 20 0 CEADMP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000070171699 363044421 /nfs/dbraw/zinc/04/44/21/363044421.db2.gz FZJITGGMWKMYAL-QWHCGFSZSA-N 2 1 278.396 2.263 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000070171699 363044429 /nfs/dbraw/zinc/04/44/29/363044429.db2.gz FZJITGGMWKMYAL-QWHCGFSZSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271434403 191135476 /nfs/dbraw/zinc/13/54/76/191135476.db2.gz DLUXAMQMPYLYHX-IIAWOOMASA-N 2 1 262.397 2.010 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271434403 191135479 /nfs/dbraw/zinc/13/54/79/191135479.db2.gz DLUXAMQMPYLYHX-IIAWOOMASA-N 2 1 262.397 2.010 20 0 CEADMP Cc1ccc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1F ZINC000070188367 363051008 /nfs/dbraw/zinc/05/10/08/363051008.db2.gz IYPDKZBNFUAZTI-UHFFFAOYSA-N 2 1 293.386 2.133 20 0 CEADMP CC1CC[NH+](CCCCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629949775 351549143 /nfs/dbraw/zinc/54/91/43/351549143.db2.gz YMKJMPQKEWWQIK-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP OCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291458740 198027783 /nfs/dbraw/zinc/02/77/83/198027783.db2.gz NDYYDPJAWJJRJQ-UHFFFAOYSA-N 2 1 288.435 2.357 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccns2)C1 ZINC000630075846 351605470 /nfs/dbraw/zinc/60/54/70/351605470.db2.gz HDDVTVAZIQMINR-XBFCOCLRSA-N 2 1 281.425 2.004 20 0 CEADMP CC(C)[NH+](CCCNC(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC000629965601 351559436 /nfs/dbraw/zinc/55/94/36/351559436.db2.gz GNSZBOWPABIQPS-UHFFFAOYSA-N 2 1 283.460 2.096 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(Cl)cnn1C ZINC000131192485 366029590 /nfs/dbraw/zinc/02/95/90/366029590.db2.gz JIIYCEDNNBHPMZ-JTQLQIEISA-N 2 1 281.791 2.004 20 0 CEADMP NC(=O)[C@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336502583 213376660 /nfs/dbraw/zinc/37/66/60/213376660.db2.gz XTKHLOQDGWUQEE-AWEZNQCLSA-N 2 1 273.380 2.338 20 0 CEADMP Cc1cccc(NC2CC[NH+]([C@H]3CCOC3)CC2)[nH+]1 ZINC000678349004 539823690 /nfs/dbraw/zinc/82/36/90/539823690.db2.gz FQJLJFMKYIORSU-AWEZNQCLSA-N 2 1 261.369 2.055 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000337200425 366072098 /nfs/dbraw/zinc/07/20/98/366072098.db2.gz ZQSIWNRVGBJDMJ-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000122096321 187014939 /nfs/dbraw/zinc/01/49/39/187014939.db2.gz FWGWGNLAYGBJMH-UHFFFAOYSA-N 2 1 256.434 2.467 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000122163213 187018441 /nfs/dbraw/zinc/01/84/41/187018441.db2.gz HZCIYJAODSEQCE-LOWVWBTDSA-N 2 1 294.361 2.152 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000122163213 187018442 /nfs/dbraw/zinc/01/84/42/187018442.db2.gz HZCIYJAODSEQCE-LOWVWBTDSA-N 2 1 294.361 2.152 20 0 CEADMP CC(C)C[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678350408 539824321 /nfs/dbraw/zinc/82/43/21/539824321.db2.gz WHRXORGAFXICMJ-HZPDHXFCSA-N 2 1 267.461 2.133 20 0 CEADMP C[N@H+](Cc1ccc2c[nH]nc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000122743667 187048644 /nfs/dbraw/zinc/04/86/44/187048644.db2.gz NQJHUKAGFHUVND-AWEZNQCLSA-N 2 1 272.396 2.337 20 0 CEADMP C[NH+](Cc1ccc2c[nH]nc2c1)C[C@H]1CCC[N@H+](C)C1 ZINC000122743667 187048645 /nfs/dbraw/zinc/04/86/45/187048645.db2.gz NQJHUKAGFHUVND-AWEZNQCLSA-N 2 1 272.396 2.337 20 0 CEADMP C[NH+](Cc1ccc2c[nH]nc2c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000122743667 187048646 /nfs/dbraw/zinc/04/86/46/187048646.db2.gz NQJHUKAGFHUVND-AWEZNQCLSA-N 2 1 272.396 2.337 20 0 CEADMP Cn1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000122983953 187064026 /nfs/dbraw/zinc/06/40/26/187064026.db2.gz OSYSLOZQDDDXQH-UHFFFAOYSA-N 2 1 299.418 2.147 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123649081 187102879 /nfs/dbraw/zinc/10/28/79/187102879.db2.gz QIOCPZDNALJGCR-YOEHRIQHSA-N 3 1 275.440 2.178 20 0 CEADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123649081 187102880 /nfs/dbraw/zinc/10/28/80/187102880.db2.gz QIOCPZDNALJGCR-YOEHRIQHSA-N 2 1 275.440 2.178 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(NC(C)=O)c2)C1 ZINC000631044049 351935821 /nfs/dbraw/zinc/93/58/21/351935821.db2.gz DCIRWWOXIMSMTI-OAHLLOKOSA-N 2 1 275.396 2.076 20 0 CEADMP COc1cncc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1C ZINC000631044957 351936673 /nfs/dbraw/zinc/93/66/73/351936673.db2.gz ZCJQHWKQPXXRDB-UHFFFAOYSA-N 2 1 289.423 2.363 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(NC(C)=O)c2)C1 ZINC000631055866 351941516 /nfs/dbraw/zinc/94/15/16/351941516.db2.gz AKIPKFQHCRLEPA-INIZCTEOSA-N 2 1 289.423 2.467 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(NC(C)=O)c2)C1 ZINC000631055866 351941518 /nfs/dbraw/zinc/94/15/18/351941518.db2.gz AKIPKFQHCRLEPA-INIZCTEOSA-N 2 1 289.423 2.467 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291972726 198122018 /nfs/dbraw/zinc/12/20/18/198122018.db2.gz VUHLELKFYKPQHG-SFHVURJKSA-N 2 1 290.451 2.354 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291972726 198122020 /nfs/dbraw/zinc/12/20/20/198122020.db2.gz VUHLELKFYKPQHG-SFHVURJKSA-N 2 1 290.451 2.354 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631145551 351985679 /nfs/dbraw/zinc/98/56/79/351985679.db2.gz CFIFOYLJTDFRBY-HNNXBMFYSA-N 2 1 277.412 2.387 20 0 CEADMP Cc1csc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000250942774 539845818 /nfs/dbraw/zinc/84/58/18/539845818.db2.gz XJLGSFSNQXNPSL-OLZOCXBDSA-N 2 1 265.426 2.210 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3O)CC[N@@H+]1C ZINC000252148296 539840778 /nfs/dbraw/zinc/84/07/78/539840778.db2.gz OGLVRSYMRSQFKD-JMSVASOKSA-N 2 1 260.381 2.452 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3O)CC[N@H+]1C ZINC000252148296 539840782 /nfs/dbraw/zinc/84/07/82/539840782.db2.gz OGLVRSYMRSQFKD-JMSVASOKSA-N 2 1 260.381 2.452 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000336470294 213339031 /nfs/dbraw/zinc/33/90/31/213339031.db2.gz SCIZWJMVBCKQAS-XJKSGUPXSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000336470294 213339033 /nfs/dbraw/zinc/33/90/33/213339033.db2.gz SCIZWJMVBCKQAS-XJKSGUPXSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1noc(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000336470294 213339034 /nfs/dbraw/zinc/33/90/34/213339034.db2.gz SCIZWJMVBCKQAS-XJKSGUPXSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1noc(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000336470294 213339035 /nfs/dbraw/zinc/33/90/35/213339035.db2.gz SCIZWJMVBCKQAS-XJKSGUPXSA-N 2 1 277.412 2.462 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000153724826 188100062 /nfs/dbraw/zinc/10/00/62/188100062.db2.gz SZJXFOMYFIZQKT-INIZCTEOSA-N 2 1 280.387 2.371 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250948164 539970176 /nfs/dbraw/zinc/97/01/76/539970176.db2.gz DWFXOLJCKOEUBA-WMLDXEAASA-N 2 1 289.423 2.363 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@](C)(O)c2ccccc2Cl)CC1 ZINC000155085601 188181028 /nfs/dbraw/zinc/18/10/28/188181028.db2.gz ZGTDFVMQJWNNIK-HNNXBMFYSA-N 2 1 282.815 2.231 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000155457575 188207305 /nfs/dbraw/zinc/20/73/05/188207305.db2.gz LMEFTTRQSABJRR-XNJGSVPQSA-N 2 1 289.423 2.463 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000155457575 188207306 /nfs/dbraw/zinc/20/73/06/188207306.db2.gz LMEFTTRQSABJRR-XNJGSVPQSA-N 2 1 289.423 2.463 20 0 CEADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)[C@H]1C[NH3+] ZINC000252110571 539999148 /nfs/dbraw/zinc/99/91/48/539999148.db2.gz HSIODKIGOAGTPK-WFASDCNBSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)[C@H]1C[NH3+] ZINC000252110571 539999152 /nfs/dbraw/zinc/99/91/52/539999152.db2.gz HSIODKIGOAGTPK-WFASDCNBSA-N 2 1 293.386 2.214 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4c[nH]nc4c3)C2)C1 ZINC000292686033 198375241 /nfs/dbraw/zinc/37/52/41/198375241.db2.gz AYOQMXGVQSFJLF-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4c[nH]nc4c3)C2)C1 ZINC000292686033 198375243 /nfs/dbraw/zinc/37/52/43/198375243.db2.gz AYOQMXGVQSFJLF-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4c[nH]nc4c3)C2)C1 ZINC000292686033 198375245 /nfs/dbraw/zinc/37/52/45/198375245.db2.gz AYOQMXGVQSFJLF-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)C1 ZINC000292686033 198375247 /nfs/dbraw/zinc/37/52/47/198375247.db2.gz AYOQMXGVQSFJLF-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000252839062 540008776 /nfs/dbraw/zinc/00/87/76/540008776.db2.gz ZSBLTLZUBATBRR-ZIAGYGMSSA-N 2 1 260.381 2.094 20 0 CEADMP Cc1cc(N2CC[C@H](C[NH+]3CCCCC3)C2)nc(C)[nH+]1 ZINC000132949037 366183441 /nfs/dbraw/zinc/18/34/41/366183441.db2.gz UBDINNPMULLBMT-OAHLLOKOSA-N 2 1 274.412 2.406 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC[N@@H+]1C ZINC000133009961 366187445 /nfs/dbraw/zinc/18/74/45/366187445.db2.gz UEGUGSUHDUWTSK-ZBFHGGJFSA-N 2 1 288.439 2.254 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC[N@H+]1C ZINC000133009961 366187450 /nfs/dbraw/zinc/18/74/50/366187450.db2.gz UEGUGSUHDUWTSK-ZBFHGGJFSA-N 2 1 288.439 2.254 20 0 CEADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157437665 540041254 /nfs/dbraw/zinc/04/12/54/540041254.db2.gz GYUUEZSWCVOUHH-UXLLHSPISA-N 2 1 271.408 2.473 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(N)ccc32)CC[N@@H+]1C ZINC000157683059 540043340 /nfs/dbraw/zinc/04/33/40/540043340.db2.gz HTNYMQWADDRGQH-DIOULYMOSA-N 2 1 259.397 2.328 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(N)ccc32)CC[N@H+]1C ZINC000157683059 540043344 /nfs/dbraw/zinc/04/33/44/540043344.db2.gz HTNYMQWADDRGQH-DIOULYMOSA-N 2 1 259.397 2.328 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(N)ccc32)CC[N@@H+]1C ZINC000157682781 540043457 /nfs/dbraw/zinc/04/34/57/540043457.db2.gz HTNYMQWADDRGQH-DJSGYFEHSA-N 2 1 259.397 2.328 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(N)ccc32)CC[N@H+]1C ZINC000157682781 540043461 /nfs/dbraw/zinc/04/34/61/540043461.db2.gz HTNYMQWADDRGQH-DJSGYFEHSA-N 2 1 259.397 2.328 20 0 CEADMP CC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCCOC1 ZINC000402707093 540110201 /nfs/dbraw/zinc/11/02/01/540110201.db2.gz QVZMYXOCPPVIBT-MRXNPFEDSA-N 2 1 274.408 2.333 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000271861661 191373360 /nfs/dbraw/zinc/37/33/60/191373360.db2.gz YWLGNYCOJMPKKC-CQSZACIVSA-N 2 1 273.384 2.056 20 0 CEADMP C[N@H+](Cc1cccc(-c2ccccc2)c1)C[C@@H](O)C[NH3+] ZINC000415062017 540249433 /nfs/dbraw/zinc/24/94/33/540249433.db2.gz XOCVSFCCOFORFV-KRWDZBQOSA-N 2 1 270.376 2.105 20 0 CEADMP [NH3+]CCC[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000415110402 540250232 /nfs/dbraw/zinc/25/02/32/540250232.db2.gz SRZJRBLLRUVQMD-UHFFFAOYSA-N 2 1 265.357 2.388 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000575412048 366281288 /nfs/dbraw/zinc/28/12/88/366281288.db2.gz KMCCXJSVQSBUJL-SFHVURJKSA-N 2 1 290.451 2.313 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000575412048 366281291 /nfs/dbraw/zinc/28/12/91/366281291.db2.gz KMCCXJSVQSBUJL-SFHVURJKSA-N 2 1 290.451 2.313 20 0 CEADMP c1cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668225342 538741838 /nfs/dbraw/zinc/74/18/38/538741838.db2.gz KLNAARFLGIPOAP-KRWDZBQOSA-N 2 1 298.390 2.270 20 0 CEADMP c1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668225342 538741844 /nfs/dbraw/zinc/74/18/44/538741844.db2.gz KLNAARFLGIPOAP-KRWDZBQOSA-N 2 1 298.390 2.270 20 0 CEADMP CC(C)CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000394099110 538760705 /nfs/dbraw/zinc/76/07/05/538760705.db2.gz QVEOMPUAXICQLQ-OAHLLOKOSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000394099110 538760713 /nfs/dbraw/zinc/76/07/13/538760713.db2.gz QVEOMPUAXICQLQ-OAHLLOKOSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000394099110 538760716 /nfs/dbraw/zinc/76/07/16/538760716.db2.gz QVEOMPUAXICQLQ-OAHLLOKOSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000394091612 538758640 /nfs/dbraw/zinc/75/86/40/538758640.db2.gz OEDNIDPANMWQOG-OAHLLOKOSA-N 2 1 270.461 2.446 20 0 CEADMP Cc1ccsc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000678258748 538789095 /nfs/dbraw/zinc/78/90/95/538789095.db2.gz LZTACGRZRCEZGL-HNNXBMFYSA-N 2 1 293.480 2.268 20 0 CEADMP Cc1ccsc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000678258748 538789101 /nfs/dbraw/zinc/78/91/01/538789101.db2.gz LZTACGRZRCEZGL-HNNXBMFYSA-N 2 1 293.480 2.268 20 0 CEADMP C[C@@H](C[NH+]1CCC([N@@H+](C)CCCO)CC1)C(C)(C)C ZINC000670264538 540259549 /nfs/dbraw/zinc/25/95/49/540259549.db2.gz SVQHRJZIAXUSTR-AWEZNQCLSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](CC)C[C@H](C)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000352289287 540298531 /nfs/dbraw/zinc/29/85/31/540298531.db2.gz HTWOGFZLDWINIJ-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC)c2F)C1 ZINC000165806840 540325702 /nfs/dbraw/zinc/32/57/02/540325702.db2.gz CXSSKHYCXQZZGZ-LBPRGKRZSA-N 2 1 266.360 2.266 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC)c2F)C1 ZINC000165806840 540325704 /nfs/dbraw/zinc/32/57/04/540325704.db2.gz CXSSKHYCXQZZGZ-LBPRGKRZSA-N 2 1 266.360 2.266 20 0 CEADMP CCCC[C@@H](CC)CC[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000356076649 540349356 /nfs/dbraw/zinc/34/93/56/540349356.db2.gz JJKIYFGDZHKVPK-MRXNPFEDSA-N 2 1 297.487 2.347 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)[C@H](C)O1 ZINC000414509676 236394364 /nfs/dbraw/zinc/39/43/64/236394364.db2.gz CMOWRVSHYHVDEM-AGIUHOORSA-N 2 1 263.385 2.051 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](COC(N)=O)Cc1ccccc1 ZINC000496426082 291138211 /nfs/dbraw/zinc/13/82/11/291138211.db2.gz VSWXZDZLVDMAKT-HUUCEWRRSA-N 2 1 293.411 2.070 20 0 CEADMP COc1ccc(OC)c(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414823071 236501561 /nfs/dbraw/zinc/50/15/61/236501561.db2.gz ARSIABZRSZVBRZ-CHWSQXEVSA-N 2 1 278.396 2.182 20 0 CEADMP C[C@@H](CO)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000135190916 366407481 /nfs/dbraw/zinc/40/74/81/366407481.db2.gz PATHTXSHAUHQEH-GJZGRUSLSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC[N@@H+]1C ZINC000185320971 291147574 /nfs/dbraw/zinc/14/75/74/291147574.db2.gz LGMKNCINQMMLSM-MYPMTAMASA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC[N@H+]1C ZINC000185320971 291147577 /nfs/dbraw/zinc/14/75/77/291147577.db2.gz LGMKNCINQMMLSM-MYPMTAMASA-N 2 1 252.402 2.016 20 0 CEADMP COc1ccc(C[N@H+](C)CCC[NH+](C)C)c(C)c1OC ZINC000577986933 366425253 /nfs/dbraw/zinc/42/52/53/366425253.db2.gz VDHGGOWCRLUXKS-UHFFFAOYSA-N 2 1 280.412 2.396 20 0 CEADMP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)c(C)c1OC ZINC000577986933 366425260 /nfs/dbraw/zinc/42/52/60/366425260.db2.gz VDHGGOWCRLUXKS-UHFFFAOYSA-N 2 1 280.412 2.396 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414952418 236572508 /nfs/dbraw/zinc/57/25/08/236572508.db2.gz QRSNBXASZGQQNB-JOCBIADPSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414952418 236572510 /nfs/dbraw/zinc/57/25/10/236572510.db2.gz QRSNBXASZGQQNB-JOCBIADPSA-N 2 1 287.451 2.237 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C)C(C)(C)C1 ZINC000578080030 366441382 /nfs/dbraw/zinc/44/13/82/366441382.db2.gz KIXXMKQHECEUEO-HNNXBMFYSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@H+](C)C(C)(C)C1 ZINC000578080030 366441387 /nfs/dbraw/zinc/44/13/87/366441387.db2.gz KIXXMKQHECEUEO-HNNXBMFYSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000578080030 366441393 /nfs/dbraw/zinc/44/13/93/366441393.db2.gz KIXXMKQHECEUEO-HNNXBMFYSA-N 2 1 267.461 2.275 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000578079859 366441825 /nfs/dbraw/zinc/44/18/25/366441825.db2.gz FJLLGBZNMHFQAI-HNNXBMFYSA-N 2 1 277.412 2.101 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000578079859 366441827 /nfs/dbraw/zinc/44/18/27/366441827.db2.gz FJLLGBZNMHFQAI-HNNXBMFYSA-N 2 1 277.412 2.101 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000578187313 366455789 /nfs/dbraw/zinc/45/57/89/366455789.db2.gz XWRUCHUWIUYSME-PWNZVWSESA-N 2 1 282.453 2.490 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000578187313 366455793 /nfs/dbraw/zinc/45/57/93/366455793.db2.gz XWRUCHUWIUYSME-PWNZVWSESA-N 2 1 282.453 2.490 20 0 CEADMP CC1(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000578194008 366456887 /nfs/dbraw/zinc/45/68/87/366456887.db2.gz XACGXMMNGDNZBX-UHFFFAOYSA-N 2 1 274.408 2.409 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000570889956 299283180 /nfs/dbraw/zinc/28/31/80/299283180.db2.gz ZLQZLYXCVMDFHO-QLFBSQMISA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000570889956 299283183 /nfs/dbraw/zinc/28/31/83/299283183.db2.gz ZLQZLYXCVMDFHO-QLFBSQMISA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000570889956 299283185 /nfs/dbraw/zinc/28/31/85/299283185.db2.gz ZLQZLYXCVMDFHO-QLFBSQMISA-N 2 1 255.450 2.179 20 0 CEADMP CC(C)c1cc(N2CC[C@@H](C[NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000338688877 366470883 /nfs/dbraw/zinc/47/08/83/366470883.db2.gz ITTATHWBQCPYLJ-ZDUSSCGKSA-N 2 1 291.443 2.054 20 0 CEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000311465733 540456594 /nfs/dbraw/zinc/45/65/94/540456594.db2.gz NBXOUVXFWJSIRN-CVEARBPZSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000311465733 540456599 /nfs/dbraw/zinc/45/65/99/540456599.db2.gz NBXOUVXFWJSIRN-CVEARBPZSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000311465733 540456603 /nfs/dbraw/zinc/45/66/03/540456603.db2.gz NBXOUVXFWJSIRN-CVEARBPZSA-N 2 1 270.461 2.446 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000668158791 540575001 /nfs/dbraw/zinc/57/50/01/540575001.db2.gz ABGIILUINPCJHG-IRXDYDNUSA-N 2 1 298.471 2.138 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccnn2CC2CC2)C1 ZINC000668172447 540578170 /nfs/dbraw/zinc/57/81/70/540578170.db2.gz OEVLMVHNKSAFCO-WBVHZDCISA-N 2 1 288.439 2.209 20 0 CEADMP Cn1ncc(C2CCC2)c1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000668188745 540581576 /nfs/dbraw/zinc/58/15/76/540581576.db2.gz NKVUBDCTIMQYFA-KRWDZBQOSA-N 2 1 288.439 2.215 20 0 CEADMP c1ccc(CCC[NH2+]C2CC[NH+](C3CC3)CC2)nc1 ZINC000297285682 200136116 /nfs/dbraw/zinc/13/61/16/200136116.db2.gz ABPGXQGEWSYNOA-UHFFFAOYSA-N 2 1 259.397 2.231 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)CCOCC1CCC1 ZINC000341680894 216063024 /nfs/dbraw/zinc/06/30/24/216063024.db2.gz GHVQHJBXKAQLJG-UHFFFAOYSA-N 2 1 254.418 2.221 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)CCOCC1CCC1 ZINC000341680894 216063026 /nfs/dbraw/zinc/06/30/26/216063026.db2.gz GHVQHJBXKAQLJG-UHFFFAOYSA-N 2 1 254.418 2.221 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000080510017 363665359 /nfs/dbraw/zinc/66/53/59/363665359.db2.gz AHDGSZINENVJMK-CYBMUJFWSA-N 2 1 274.408 2.441 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000080510017 363665365 /nfs/dbraw/zinc/66/53/65/363665365.db2.gz AHDGSZINENVJMK-CYBMUJFWSA-N 2 1 274.408 2.441 20 0 CEADMP C[C@@H](CCCc1cccnc1)[NH2+]CCc1c[nH+]cn1C ZINC000453194441 283496138 /nfs/dbraw/zinc/49/61/38/283496138.db2.gz JOABTWQHUDUQOH-AWEZNQCLSA-N 2 1 272.396 2.359 20 0 CEADMP CC[N@@H+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000341797294 216108268 /nfs/dbraw/zinc/10/82/68/216108268.db2.gz KGTYYMZMJWTCAF-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000341797294 216108272 /nfs/dbraw/zinc/10/82/72/216108272.db2.gz KGTYYMZMJWTCAF-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@H](C[NH3+])C1CC1 ZINC000579341913 366629128 /nfs/dbraw/zinc/62/91/28/366629128.db2.gz DUUXFUZQKSBUSC-LSDHHAIUSA-N 2 1 260.381 2.400 20 0 CEADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066506 366639267 /nfs/dbraw/zinc/63/92/67/366639267.db2.gz FKVBXSGMGKSGCR-BMFZPTHFSA-N 2 1 259.397 2.229 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000151353969 366641512 /nfs/dbraw/zinc/64/15/12/366641512.db2.gz UDOGGGFTAWNHTR-QGZVFWFLSA-N 2 1 292.398 2.249 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2cccnc2-n2ccnc2)[C@H](C)C1 ZINC000151495609 366648289 /nfs/dbraw/zinc/64/82/89/366648289.db2.gz KPKZZTMDQRSIFA-ZBFHGGJFSA-N 3 1 299.422 2.087 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2-n2ccnc2)[C@H](C)C1 ZINC000151495609 366648292 /nfs/dbraw/zinc/64/82/92/366648292.db2.gz KPKZZTMDQRSIFA-ZBFHGGJFSA-N 3 1 299.422 2.087 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000341896346 216141250 /nfs/dbraw/zinc/14/12/50/216141250.db2.gz KFXIZBJMJCFVQP-LMSBXDPUSA-N 2 1 290.451 2.156 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000571414156 299309048 /nfs/dbraw/zinc/30/90/48/299309048.db2.gz HCVCRPOEWABYFJ-XHSDSOJGSA-N 2 1 289.423 2.290 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[NH+](C)C ZINC000674245710 540734844 /nfs/dbraw/zinc/73/48/44/540734844.db2.gz UWYJBGMDTZPGIT-AWEZNQCLSA-N 2 1 291.439 2.093 20 0 CEADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccsc1 ZINC000178779577 189145574 /nfs/dbraw/zinc/14/55/74/189145574.db2.gz POWOAXBXUSRQLI-CQSZACIVSA-N 2 1 281.469 2.426 20 0 CEADMP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166489790 540812404 /nfs/dbraw/zinc/81/24/04/540812404.db2.gz LFJSAVCAPGUXGU-NVXWUHKLSA-N 2 1 273.424 2.469 20 0 CEADMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(C)c1OC ZINC000342161071 216243909 /nfs/dbraw/zinc/24/39/09/216243909.db2.gz IORSNNODAWFRPW-UHFFFAOYSA-N 2 1 290.407 2.364 20 0 CEADMP CCCC[C@@H](COC)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882362 540878798 /nfs/dbraw/zinc/87/87/98/540878798.db2.gz RFLMFYRELQUFBO-DLBZAZTESA-N 2 1 298.471 2.425 20 0 CEADMP COC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880248 540878814 /nfs/dbraw/zinc/87/88/14/540878814.db2.gz COZZCPVFRREBPQ-ZBFHGGJFSA-N 2 1 298.471 2.423 20 0 CEADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000677240005 540995873 /nfs/dbraw/zinc/99/58/73/540995873.db2.gz CUBAOEVZDBQWHK-HOTGVXAUSA-N 2 1 259.397 2.149 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)on1 ZINC000677475115 541017504 /nfs/dbraw/zinc/01/75/04/541017504.db2.gz QXCAGIGNFKFZIO-CQSZACIVSA-N 2 1 263.385 2.147 20 0 CEADMP C[NH+](C)[C@@H](C(=O)NC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000152108042 366688733 /nfs/dbraw/zinc/68/87/33/366688733.db2.gz LSMDISADOGNOGK-DLBZAZTESA-N 2 1 297.402 2.106 20 0 CEADMP CN1CCC[C@@H](C[N@H+](C)CC[S@@](=O)c2ccccc2)C1 ZINC000152434894 366696758 /nfs/dbraw/zinc/69/67/58/366696758.db2.gz VPGHPXAEHJUVDP-QRWLVFNGSA-N 2 1 294.464 2.068 20 0 CEADMP CN1CCC[C@@H](C[N@@H+](C)CC[S@@](=O)c2ccccc2)C1 ZINC000152434894 366696763 /nfs/dbraw/zinc/69/67/63/366696763.db2.gz VPGHPXAEHJUVDP-QRWLVFNGSA-N 2 1 294.464 2.068 20 0 CEADMP CC[C@@H](C)C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000339409886 366698590 /nfs/dbraw/zinc/69/85/90/366698590.db2.gz ODBLDDQPUFOTFN-CABCVRRESA-N 2 1 290.455 2.410 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000154602884 366780643 /nfs/dbraw/zinc/78/06/43/366780643.db2.gz JWVHESUZFICASB-KKUMJFAQSA-N 2 1 256.434 2.103 20 0 CEADMP CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(OC)cc1 ZINC000154260651 366766224 /nfs/dbraw/zinc/76/62/24/366766224.db2.gz OTUFSAJCSWCUAY-HOCLYGCPSA-N 2 1 280.412 2.049 20 0 CEADMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1C ZINC000154380897 366770979 /nfs/dbraw/zinc/77/09/79/366770979.db2.gz UJSDQCRVXCBXQW-CABCVRRESA-N 2 1 264.413 2.185 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC2(CCC2)C1 ZINC000154404945 366772474 /nfs/dbraw/zinc/77/24/74/366772474.db2.gz XDVVEHKMFCEHNA-UHFFFAOYSA-N 2 1 263.385 2.227 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC2(CCC2)C1 ZINC000154404945 366772476 /nfs/dbraw/zinc/77/24/76/366772476.db2.gz XDVVEHKMFCEHNA-UHFFFAOYSA-N 2 1 263.385 2.227 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OCCO2)CC1CC[NH+](C)CC1 ZINC000154688991 366785036 /nfs/dbraw/zinc/78/50/36/366785036.db2.gz WDCPLZHSOJTRKI-UHFFFAOYSA-N 2 1 290.407 2.231 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000340206917 366803640 /nfs/dbraw/zinc/80/36/40/366803640.db2.gz RKLODKXMHUXYPZ-LSDHHAIUSA-N 2 1 256.434 2.201 20 0 CEADMP CCc1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)o1 ZINC000155144414 366807919 /nfs/dbraw/zinc/80/79/19/366807919.db2.gz GHXHZRRICMDBFP-ZIAGYGMSSA-N 2 1 279.428 2.129 20 0 CEADMP CCC[C@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000340224995 366808027 /nfs/dbraw/zinc/80/80/27/366808027.db2.gz HEKPDQPLNWWTNT-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@](C)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000638700714 370695439 /nfs/dbraw/zinc/69/54/39/370695439.db2.gz JEKULKDBBQMHES-WTXIUTQJSA-N 2 1 266.429 2.406 20 0 CEADMP Cc1[nH+]ccn1CCCCN1CCO[C@H](C(F)(F)F)C1 ZINC000678076795 541077636 /nfs/dbraw/zinc/07/76/36/541077636.db2.gz DRPGYTVARFBFLM-LBPRGKRZSA-N 2 1 291.317 2.235 20 0 CEADMP CN(C)c1cc[nH+]c(NCC2(C[NH+](C)C)CCCC2)n1 ZINC000302173486 201380526 /nfs/dbraw/zinc/38/05/26/201380526.db2.gz VXBOMDBRQLDLNG-UHFFFAOYSA-N 2 1 277.416 2.077 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(O)cc1 ZINC000679395370 541271402 /nfs/dbraw/zinc/27/14/02/541271402.db2.gz WGLSDDYXHZUAMV-UHFFFAOYSA-N 2 1 259.353 2.467 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNc1cc[nH+]cc1C(N)=O ZINC000302212807 201399587 /nfs/dbraw/zinc/39/95/87/201399587.db2.gz HLQLEHLWZAAFRO-CYBMUJFWSA-N 2 1 290.411 2.247 20 0 CEADMP C[N@@H+](CCCN[C@H]1CCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000089147423 363936403 /nfs/dbraw/zinc/93/64/03/363936403.db2.gz BJUOGDZHHRHJCY-SJORKVTESA-N 2 1 275.440 2.226 20 0 CEADMP C[N@H+](CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000089147423 363936410 /nfs/dbraw/zinc/93/64/10/363936410.db2.gz BJUOGDZHHRHJCY-SJORKVTESA-N 3 1 275.440 2.226 20 0 CEADMP C[N@@H+](CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000089147423 363936414 /nfs/dbraw/zinc/93/64/14/363936414.db2.gz BJUOGDZHHRHJCY-SJORKVTESA-N 3 1 275.440 2.226 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2sc(C)nc2C)C1 ZINC000088868368 363925980 /nfs/dbraw/zinc/92/59/80/363925980.db2.gz XYTSRFUFPYPXBD-LBPRGKRZSA-N 2 1 253.415 2.191 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2sc(C)nc2C)C1 ZINC000088868368 363925986 /nfs/dbraw/zinc/92/59/86/363925986.db2.gz XYTSRFUFPYPXBD-LBPRGKRZSA-N 2 1 253.415 2.191 20 0 CEADMP CC(C)n1cncc1C[NH2+]CCC[NH+]1CCCC1 ZINC000090207651 364049178 /nfs/dbraw/zinc/04/91/78/364049178.db2.gz VLZXPTFTLXWXPX-UHFFFAOYSA-N 2 1 250.390 2.040 20 0 CEADMP CCC(CC)(CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000090801122 364066126 /nfs/dbraw/zinc/06/61/26/364066126.db2.gz AUNNIHTYJVFWHK-BFHYXJOUSA-N 2 1 256.434 2.103 20 0 CEADMP CN1CCC[C@@]2(CC[N@@H+](CC3CCC(=O)CC3)C2)C1 ZINC000334625069 364097217 /nfs/dbraw/zinc/09/72/17/364097217.db2.gz TVESIBNJMQCXGW-MRXNPFEDSA-N 2 1 264.413 2.163 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccnc1 ZINC000092750630 364104126 /nfs/dbraw/zinc/10/41/26/364104126.db2.gz ADQYHNLRTVCMPP-CABCVRRESA-N 2 1 289.423 2.233 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000093516153 364195746 /nfs/dbraw/zinc/19/57/46/364195746.db2.gz HXSNPIHVXRZECA-OWCLPIDISA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000093516153 364195749 /nfs/dbraw/zinc/19/57/49/364195749.db2.gz HXSNPIHVXRZECA-OWCLPIDISA-N 3 1 267.461 2.229 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000093516153 364195752 /nfs/dbraw/zinc/19/57/52/364195752.db2.gz HXSNPIHVXRZECA-OWCLPIDISA-N 3 1 267.461 2.229 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000093513762 364195896 /nfs/dbraw/zinc/19/58/96/364195896.db2.gz YPTRDALAPXTVJJ-DZGCQCFKSA-N 2 1 277.412 2.491 20 0 CEADMP Cc1cccn2c(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cnc12 ZINC000334822142 364274164 /nfs/dbraw/zinc/27/41/64/364274164.db2.gz URJWQPUTNVZBCK-GXTWGEPZSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1cccn2c(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cnc12 ZINC000334822142 364274166 /nfs/dbraw/zinc/27/41/66/364274166.db2.gz URJWQPUTNVZBCK-GXTWGEPZSA-N 2 1 272.396 2.059 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2C(C)(C)C)C1 ZINC000093947946 364243309 /nfs/dbraw/zinc/24/33/09/364243309.db2.gz GGRXFMNAEJXUPJ-ZDUSSCGKSA-N 2 1 278.444 2.149 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2C(C)(C)C)C1 ZINC000093947946 364243314 /nfs/dbraw/zinc/24/33/14/364243314.db2.gz GGRXFMNAEJXUPJ-ZDUSSCGKSA-N 2 1 278.444 2.149 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)CC[C@@H]1[NH3+] ZINC000094338777 364266252 /nfs/dbraw/zinc/26/62/52/364266252.db2.gz DTZXIAHBYIMBRK-DOMZBBRYSA-N 2 1 255.365 2.404 20 0 CEADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C(C)(C)O1 ZINC000094423815 364272890 /nfs/dbraw/zinc/27/28/90/364272890.db2.gz LMDAECWUHCVDBW-JSGCOSHPSA-N 2 1 266.429 2.406 20 0 CEADMP Cc1ncc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000334867381 364278998 /nfs/dbraw/zinc/27/89/98/364278998.db2.gz DEXNUTCFKMVFCX-GXTWGEPZSA-N 2 1 265.426 2.416 20 0 CEADMP Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000334867381 364279002 /nfs/dbraw/zinc/27/90/02/364279002.db2.gz DEXNUTCFKMVFCX-GXTWGEPZSA-N 2 1 265.426 2.416 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](C[C@@H]3CCSC3)C2)CC1 ZINC000334952667 364296233 /nfs/dbraw/zinc/29/62/33/364296233.db2.gz FWCINGYVELVXBG-ZFWWWQNUSA-N 2 1 268.470 2.403 20 0 CEADMP c1cc2c(s1)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000334970251 364296695 /nfs/dbraw/zinc/29/66/95/364296695.db2.gz SHAQZFVTCLMIEA-LBPRGKRZSA-N 2 1 250.411 2.496 20 0 CEADMP c1cc2c(s1)C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000334970250 364297576 /nfs/dbraw/zinc/29/75/76/364297576.db2.gz SHAQZFVTCLMIEA-GFCCVEGCSA-N 2 1 250.411 2.496 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000335010855 364347281 /nfs/dbraw/zinc/34/72/81/364347281.db2.gz RIEOLKHOGXSISQ-CZUORRHYSA-N 2 1 273.424 2.438 20 0 CEADMP C[NH+](C)C1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000340288974 366837540 /nfs/dbraw/zinc/83/75/40/366837540.db2.gz OEVZBZYFCNRPAF-SFHVURJKSA-N 2 1 287.451 2.287 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2cscn2)C1 ZINC000340293436 366839356 /nfs/dbraw/zinc/83/93/56/366839356.db2.gz YCTIDPWZLDIWFU-CYBMUJFWSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2cscn2)C1 ZINC000340293436 366839363 /nfs/dbraw/zinc/83/93/63/366839363.db2.gz YCTIDPWZLDIWFU-CYBMUJFWSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2cscn2)C1 ZINC000340293436 366839367 /nfs/dbraw/zinc/83/93/67/366839367.db2.gz YCTIDPWZLDIWFU-CYBMUJFWSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2cscn2)C1 ZINC000340293436 366839372 /nfs/dbraw/zinc/83/93/72/366839372.db2.gz YCTIDPWZLDIWFU-CYBMUJFWSA-N 2 1 267.442 2.349 20 0 CEADMP Cc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n(C)n1 ZINC000581992656 366845200 /nfs/dbraw/zinc/84/52/00/366845200.db2.gz KTSBOEBGJKSBDE-UHFFFAOYSA-N 2 1 278.444 2.281 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)[C@H](C)C1 ZINC000157932378 366850441 /nfs/dbraw/zinc/85/04/41/366850441.db2.gz IVVQAFJQTZYUSR-OJLVUWQFSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC2CC[NH+](CC3CC3)CC2)C1 ZINC000582030144 366851672 /nfs/dbraw/zinc/85/16/72/366851672.db2.gz DJJCTXMHFWSNPD-MRXNPFEDSA-N 2 1 279.472 2.181 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000582030144 366851674 /nfs/dbraw/zinc/85/16/74/366851674.db2.gz DJJCTXMHFWSNPD-MRXNPFEDSA-N 3 1 279.472 2.181 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000582030144 366851678 /nfs/dbraw/zinc/85/16/78/366851678.db2.gz DJJCTXMHFWSNPD-MRXNPFEDSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cncc(F)c3)C2)CC1 ZINC000335144406 364537581 /nfs/dbraw/zinc/53/75/81/364537581.db2.gz DGSSVDXSSRRZSZ-OAHLLOKOSA-N 2 1 277.387 2.384 20 0 CEADMP C[N@@H+](CCOc1cccc(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000104100059 364677342 /nfs/dbraw/zinc/67/73/42/364677342.db2.gz RDAHSTAIJUZMFI-CQSZACIVSA-N 2 1 280.387 2.478 20 0 CEADMP C[NH+](CCOc1cccc(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000104100059 364677345 /nfs/dbraw/zinc/67/73/45/364677345.db2.gz RDAHSTAIJUZMFI-CQSZACIVSA-N 2 1 280.387 2.478 20 0 CEADMP C[NH+](CCOc1cccc(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104100059 364677348 /nfs/dbraw/zinc/67/73/48/364677348.db2.gz RDAHSTAIJUZMFI-CQSZACIVSA-N 2 1 280.387 2.478 20 0 CEADMP C[N@@H+](CCOc1ccccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000104097121 364677548 /nfs/dbraw/zinc/67/75/48/364677548.db2.gz IHLHELVSLTZQLG-CQSZACIVSA-N 2 1 280.387 2.478 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000104136816 364681131 /nfs/dbraw/zinc/68/11/31/364681131.db2.gz KTJHEROIKHWFTC-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP c1nc2c([nH]1)CC[C@H]([NH2+][C@H]1CCCC13CCOCC3)C2 ZINC000335373874 364696256 /nfs/dbraw/zinc/69/62/56/364696256.db2.gz RPHKNCHIIXGNHM-WFASDCNBSA-N 2 1 275.396 2.206 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOC1CCCC1 ZINC000111634334 364748259 /nfs/dbraw/zinc/74/82/59/364748259.db2.gz WPJWQSQXAYKUKE-IPYPFGDCSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(C[NH3+])cc2)C[C@H]1C ZINC000335635553 212349437 /nfs/dbraw/zinc/34/94/37/212349437.db2.gz RTGZJZGZHYTBNO-CHWSQXEVSA-N 2 1 290.411 2.092 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3ccccc3s2)CCCO1 ZINC000335635978 212350363 /nfs/dbraw/zinc/35/03/63/212350363.db2.gz BNIXTPYPQNVNFY-CYBMUJFWSA-N 2 1 276.405 2.451 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)CCCO1 ZINC000335635978 212350365 /nfs/dbraw/zinc/35/03/65/212350365.db2.gz BNIXTPYPQNVNFY-CYBMUJFWSA-N 2 1 276.405 2.451 20 0 CEADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]C2CCSCC2)cc1 ZINC000335497772 364793239 /nfs/dbraw/zinc/79/32/39/364793239.db2.gz ZADLJYYJTWDDLF-LSDHHAIUSA-N 2 1 262.422 2.227 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000113701116 364909840 /nfs/dbraw/zinc/90/98/40/364909840.db2.gz HUDJWYMLZNYBPL-ZDUSSCGKSA-N 2 1 255.365 2.406 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000335804983 365007005 /nfs/dbraw/zinc/00/70/05/365007005.db2.gz CWUISQUVGYUHTB-GJZGRUSLSA-N 2 1 284.469 2.115 20 0 CEADMP COC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000116388562 365053997 /nfs/dbraw/zinc/05/39/97/365053997.db2.gz UYGLRJKMDMZKAU-MRXNPFEDSA-N 2 1 296.455 2.384 20 0 CEADMP COC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000116388562 365054002 /nfs/dbraw/zinc/05/40/02/365054002.db2.gz UYGLRJKMDMZKAU-MRXNPFEDSA-N 2 1 296.455 2.384 20 0 CEADMP C[NH+](C)C1(CNc2cc(NCC3CC3)[nH+]cn2)CCC1 ZINC000275397223 193021082 /nfs/dbraw/zinc/02/10/82/193021082.db2.gz DCAGIHZJROOCBH-UHFFFAOYSA-N 2 1 275.400 2.195 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000582249279 366884611 /nfs/dbraw/zinc/88/46/11/366884611.db2.gz JWRZFOWQNBJDKP-UKRRQHHQSA-N 2 1 262.397 2.439 20 0 CEADMP Cc1ccc2cc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)ccc2n1 ZINC000275653410 193096377 /nfs/dbraw/zinc/09/63/77/193096377.db2.gz ULULUWBJRNSNOA-KRWDZBQOSA-N 2 1 299.418 2.090 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C2CCCC2)CC1 ZINC000120085426 365371149 /nfs/dbraw/zinc/37/11/49/365371149.db2.gz QFKQWNGISNTIBN-IYBDPMFKSA-N 2 1 279.472 2.419 20 0 CEADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275760543 193121298 /nfs/dbraw/zinc/12/12/98/193121298.db2.gz STRJSNHBWLWQBK-HYVNUMGLSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275760543 193121300 /nfs/dbraw/zinc/12/13/00/193121300.db2.gz STRJSNHBWLWQBK-HYVNUMGLSA-N 2 1 276.424 2.400 20 0 CEADMP c1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)nc1 ZINC000336079976 365379687 /nfs/dbraw/zinc/37/96/87/365379687.db2.gz JHVFNAFCQZHKHF-CALCHBBNSA-N 2 1 279.387 2.400 20 0 CEADMP C[C@@H]([NH3+])C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000336170669 365508738 /nfs/dbraw/zinc/50/87/38/365508738.db2.gz VVMRVIMYSYMUOF-LLVKDONJSA-N 2 1 258.369 2.090 20 0 CEADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000680989897 541484130 /nfs/dbraw/zinc/48/41/30/541484130.db2.gz GVJMUINHNUTXJW-OIISXLGYSA-N 2 1 276.424 2.225 20 0 CEADMP c1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000681114870 541506930 /nfs/dbraw/zinc/50/69/30/541506930.db2.gz GOZGRDZOBDJVLR-GOSISDBHSA-N 2 1 288.435 2.462 20 0 CEADMP CC[C@H](C)[C@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000340663446 366974588 /nfs/dbraw/zinc/97/45/88/366974588.db2.gz WXOJPTNAZKPRLV-CABZTGNLSA-N 2 1 260.341 2.241 20 0 CEADMP CC(C)n1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000582980628 366986629 /nfs/dbraw/zinc/98/66/29/366986629.db2.gz XBFNKYCKUWTLJM-OAGGEKHMSA-N 2 1 276.428 2.426 20 0 CEADMP CC(C)n1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000582980628 366986633 /nfs/dbraw/zinc/98/66/33/366986633.db2.gz XBFNKYCKUWTLJM-OAGGEKHMSA-N 2 1 276.428 2.426 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583066320 366995726 /nfs/dbraw/zinc/99/57/26/366995726.db2.gz GRPKCOJBBFUKDD-XYJFISCASA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](CN(C)C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583066320 366995731 /nfs/dbraw/zinc/99/57/31/366995731.db2.gz GRPKCOJBBFUKDD-XYJFISCASA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](CN(C)C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583066320 366995735 /nfs/dbraw/zinc/99/57/35/366995735.db2.gz GRPKCOJBBFUKDD-XYJFISCASA-N 2 1 289.467 2.437 20 0 CEADMP CCC(O)(CC)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000583095783 367000768 /nfs/dbraw/zinc/00/07/68/367000768.db2.gz UZCNDCOLABMPLQ-KGLIPLIRSA-N 2 1 270.461 2.494 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572404262 299365210 /nfs/dbraw/zinc/36/52/10/299365210.db2.gz CIOPHCVAFFSSSE-QGZVFWFLSA-N 2 1 290.455 2.120 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572404262 299365211 /nfs/dbraw/zinc/36/52/11/299365211.db2.gz CIOPHCVAFFSSSE-QGZVFWFLSA-N 2 1 290.455 2.120 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000583199587 367013790 /nfs/dbraw/zinc/01/37/90/367013790.db2.gz VITVMTHCWAQZDH-STQMWFEESA-N 2 1 296.377 2.257 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000583199587 367013793 /nfs/dbraw/zinc/01/37/93/367013793.db2.gz VITVMTHCWAQZDH-STQMWFEESA-N 2 1 296.377 2.257 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccnc(OC)c2)C1 ZINC000583332884 367035826 /nfs/dbraw/zinc/03/58/26/367035826.db2.gz XUGZQSFMHHOERW-STQMWFEESA-N 2 1 263.385 2.083 20 0 CEADMP CC(C)c1nc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)no1 ZINC000583928933 367116316 /nfs/dbraw/zinc/11/63/16/367116316.db2.gz FFJICRGOYFRYKQ-LBPRGKRZSA-N 2 1 278.400 2.157 20 0 CEADMP CC(C)c1nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)no1 ZINC000583928933 367116321 /nfs/dbraw/zinc/11/63/21/367116321.db2.gz FFJICRGOYFRYKQ-LBPRGKRZSA-N 2 1 278.400 2.157 20 0 CEADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)n1C ZINC000583823703 367103540 /nfs/dbraw/zinc/10/35/40/367103540.db2.gz FDIWVNMUWGDTIK-OAHLLOKOSA-N 2 1 278.444 2.186 20 0 CEADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)n1C ZINC000583823703 367103544 /nfs/dbraw/zinc/10/35/44/367103544.db2.gz FDIWVNMUWGDTIK-OAHLLOKOSA-N 2 1 278.444 2.186 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cnccc2C)CC1 ZINC000341113502 367178189 /nfs/dbraw/zinc/17/81/89/367178189.db2.gz SDJHMXKBABCKCC-UHFFFAOYSA-N 2 1 299.422 2.107 20 0 CEADMP CC[NH+](CC)[C@H](C)CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000357457831 370819210 /nfs/dbraw/zinc/81/92/10/370819210.db2.gz PQLPTXAJWJCCJR-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP Cc1ncc(C[N@@H+](C)CCCn2ccnc2)s1 ZINC000162300458 367150200 /nfs/dbraw/zinc/15/02/00/367150200.db2.gz QOSKOGKXMYITOI-UHFFFAOYSA-N 2 1 250.371 2.170 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000162772456 367189950 /nfs/dbraw/zinc/18/99/50/367189950.db2.gz CDNUMGNRJRAAOU-OAGGEKHMSA-N 2 1 298.496 2.457 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000162772456 367189954 /nfs/dbraw/zinc/18/99/54/367189954.db2.gz CDNUMGNRJRAAOU-OAGGEKHMSA-N 2 1 298.496 2.457 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000162772456 367189959 /nfs/dbraw/zinc/18/99/59/367189959.db2.gz CDNUMGNRJRAAOU-OAGGEKHMSA-N 2 1 298.496 2.457 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCCNc2ccccn2)CC[N@H+]1C ZINC000162835425 367194648 /nfs/dbraw/zinc/19/46/48/367194648.db2.gz UGWLPPCHAQEMCK-HUUCEWRRSA-N 2 1 276.428 2.346 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn3ccccc23)[C@@H](C)C1 ZINC000245688545 370857469 /nfs/dbraw/zinc/85/74/69/370857469.db2.gz BBGVKCLDPVBMLE-HOCLYGCPSA-N 2 1 286.423 2.496 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn3ccccc23)[C@@H](C)C1 ZINC000245688545 370857472 /nfs/dbraw/zinc/85/74/72/370857472.db2.gz BBGVKCLDPVBMLE-HOCLYGCPSA-N 2 1 286.423 2.496 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn3ccccc23)[C@@H](C)C1 ZINC000245688545 370857477 /nfs/dbraw/zinc/85/74/77/370857477.db2.gz BBGVKCLDPVBMLE-HOCLYGCPSA-N 2 1 286.423 2.496 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn3ccccc23)[C@@H](C)C1 ZINC000245688545 370857479 /nfs/dbraw/zinc/85/74/79/370857479.db2.gz BBGVKCLDPVBMLE-HOCLYGCPSA-N 2 1 286.423 2.496 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](CNc2ccccn2)C1 ZINC000245600974 370846271 /nfs/dbraw/zinc/84/62/71/370846271.db2.gz IVYSOLHXHXQMBL-JKSUJKDBSA-N 2 1 288.439 2.300 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000245600974 370846277 /nfs/dbraw/zinc/84/62/77/370846277.db2.gz IVYSOLHXHXQMBL-JKSUJKDBSA-N 2 1 288.439 2.300 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000245600974 370846280 /nfs/dbraw/zinc/84/62/80/370846280.db2.gz IVYSOLHXHXQMBL-JKSUJKDBSA-N 2 1 288.439 2.300 20 0 CEADMP CC(C)Cn1ccnc1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000164796476 367296718 /nfs/dbraw/zinc/29/67/18/367296718.db2.gz CXRRNBUSKMMFJE-RBSFLKMASA-N 2 1 278.444 2.357 20 0 CEADMP C[C@@H](C[NH+](C)C)Nc1cc[nH+]cc1Br ZINC000165050086 367301817 /nfs/dbraw/zinc/30/18/17/367301817.db2.gz CXAROVUXRFEHFA-QMMMGPOBSA-N 2 1 258.163 2.206 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341961713 367381633 /nfs/dbraw/zinc/38/16/33/367381633.db2.gz YIBMPXXLLRZVRJ-UHFFFAOYSA-N 2 1 299.418 2.466 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341961713 367381654 /nfs/dbraw/zinc/38/16/54/367381654.db2.gz YIBMPXXLLRZVRJ-UHFFFAOYSA-N 2 1 299.418 2.466 20 0 CEADMP CCc1nc(C)cc(N2CC[N@@H+](C)C[C@@H]2C(C)C)n1 ZINC000342373087 367404406 /nfs/dbraw/zinc/40/44/06/367404406.db2.gz RNZCCWMVRLOQJX-CYBMUJFWSA-N 2 1 262.401 2.124 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)F)[C@H](C)C1 ZINC000631658459 367470468 /nfs/dbraw/zinc/47/04/68/367470468.db2.gz KZIIESDNOWXGJV-ZIAGYGMSSA-N 2 1 274.424 2.461 20 0 CEADMP Cc1cnc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C ZINC000342775461 367528997 /nfs/dbraw/zinc/52/89/97/367528997.db2.gz FTRQJOVMWGVHTF-INIZCTEOSA-N 2 1 298.434 2.435 20 0 CEADMP Cc1cnc(CN2CCN(Cc3ccccc3)C[C@@H]2C)n1C ZINC000342775461 367529002 /nfs/dbraw/zinc/52/90/02/367529002.db2.gz FTRQJOVMWGVHTF-INIZCTEOSA-N 2 1 298.434 2.435 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834275 367573158 /nfs/dbraw/zinc/57/31/58/367573158.db2.gz TXXVHRJBGDXQBV-HNNXBMFYSA-N 2 1 261.413 2.456 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834275 367573163 /nfs/dbraw/zinc/57/31/63/367573163.db2.gz TXXVHRJBGDXQBV-HNNXBMFYSA-N 2 1 261.413 2.456 20 0 CEADMP COc1ccc(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631886774 367609416 /nfs/dbraw/zinc/60/94/16/367609416.db2.gz MDWOXZNOSAXVND-WBVHZDCISA-N 2 1 274.408 2.312 20 0 CEADMP CN(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)c1ccccc1 ZINC000631889058 367610266 /nfs/dbraw/zinc/61/02/66/367610266.db2.gz DVEBILAZXNKVGP-WBVHZDCISA-N 2 1 273.424 2.197 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890310 367612490 /nfs/dbraw/zinc/61/24/90/367612490.db2.gz OPYSBQYCOPZJMP-HOCLYGCPSA-N 2 1 260.381 2.269 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890820 367612649 /nfs/dbraw/zinc/61/26/49/367612649.db2.gz VVKLOEYRZKJICT-PBHICJAKSA-N 2 1 273.424 2.327 20 0 CEADMP OCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245726989 370865123 /nfs/dbraw/zinc/86/51/23/370865123.db2.gz PQSWCFJNMZBLCB-OSYLJGHBSA-N 2 1 274.408 2.154 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2C)[C@H](C)C1 ZINC000358003113 370865522 /nfs/dbraw/zinc/86/55/22/370865522.db2.gz IJLJLDGYUCBLMY-FZKCQIBNSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@H](CO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245766677 370871745 /nfs/dbraw/zinc/87/17/45/370871745.db2.gz WMUFEKDSPWGXOC-LEUOFYLZSA-N 2 1 288.435 2.400 20 0 CEADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CC1CCCC1 ZINC000343505985 367850981 /nfs/dbraw/zinc/85/09/81/367850981.db2.gz FQRMNSMBRZTDIC-YESZJQIVSA-N 2 1 280.456 2.392 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000173181051 367878453 /nfs/dbraw/zinc/87/84/53/367878453.db2.gz RZEYVWGOBNDWDH-ZBFHGGJFSA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)[C@H](C)C1 ZINC000173364168 367902222 /nfs/dbraw/zinc/90/22/22/367902222.db2.gz NEZICKUXVNGQTE-PBHICJAKSA-N 2 1 299.422 2.087 20 0 CEADMP C[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000682132688 541634880 /nfs/dbraw/zinc/63/48/80/541634880.db2.gz FNOGABALMOPVTN-VHDGCEQUSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000173891335 367956203 /nfs/dbraw/zinc/95/62/03/367956203.db2.gz UMFIEWLGSWNEAT-HNNXBMFYSA-N 2 1 274.408 2.395 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000173891335 367956207 /nfs/dbraw/zinc/95/62/07/367956207.db2.gz UMFIEWLGSWNEAT-HNNXBMFYSA-N 2 1 274.408 2.395 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000173891335 367956210 /nfs/dbraw/zinc/95/62/10/367956210.db2.gz UMFIEWLGSWNEAT-HNNXBMFYSA-N 2 1 274.408 2.395 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000173891335 367956212 /nfs/dbraw/zinc/95/62/12/367956212.db2.gz UMFIEWLGSWNEAT-HNNXBMFYSA-N 2 1 274.408 2.395 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCOC2)c1 ZINC000176490812 368245512 /nfs/dbraw/zinc/24/55/12/368245512.db2.gz KJNPBBCNPBNNSY-INIZCTEOSA-N 2 1 262.397 2.405 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cccnc2)C1 ZINC000176280457 368219403 /nfs/dbraw/zinc/21/94/03/368219403.db2.gz UOVGBBZUXAZFCM-INIZCTEOSA-N 2 1 261.413 2.288 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000176280457 368219404 /nfs/dbraw/zinc/21/94/04/368219404.db2.gz UOVGBBZUXAZFCM-INIZCTEOSA-N 2 1 261.413 2.288 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000176280457 368219405 /nfs/dbraw/zinc/21/94/05/368219405.db2.gz UOVGBBZUXAZFCM-INIZCTEOSA-N 2 1 261.413 2.288 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCOCC(F)(F)F ZINC000177920520 368283427 /nfs/dbraw/zinc/28/34/27/368283427.db2.gz YISFFBPJBYELLP-UTUOFQBUSA-N 2 1 282.350 2.274 20 0 CEADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccoc1 ZINC000178739433 368310005 /nfs/dbraw/zinc/31/00/05/368310005.db2.gz VMJHMLLNPIWPGD-CQSZACIVSA-N 2 1 279.428 2.204 20 0 CEADMP CCC1(CC)[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C[C@@H]1OC ZINC000181561348 368470289 /nfs/dbraw/zinc/47/02/89/368470289.db2.gz MBIZDUJNMQKQTF-HOTGVXAUSA-N 2 1 298.471 2.017 20 0 CEADMP C/C=C\C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000682535205 541678084 /nfs/dbraw/zinc/67/80/84/541678084.db2.gz BYHYWCRFTWZMIY-FAKDPMAQSA-N 2 1 254.418 2.289 20 0 CEADMP C[N@@H+]1CCN(CC[NH+]2CCCCC2)[C@H](c2ccccc2)C1 ZINC000181689544 368483342 /nfs/dbraw/zinc/48/33/42/368483342.db2.gz NGUFLELMVXOXQZ-SFHVURJKSA-N 2 1 287.451 2.461 20 0 CEADMP C[N@H+]1CCN(CC[NH+]2CCCCC2)[C@H](c2ccccc2)C1 ZINC000181689544 368483343 /nfs/dbraw/zinc/48/33/43/368483343.db2.gz NGUFLELMVXOXQZ-SFHVURJKSA-N 2 1 287.451 2.461 20 0 CEADMP Cc1nn(-c2ccncc2)cc1CN1C[C@H](C)OC[C@@H]1C ZINC000346150036 368562601 /nfs/dbraw/zinc/56/26/01/368562601.db2.gz MCHUBJCFDJXKLC-STQMWFEESA-N 2 1 286.379 2.185 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1nccn1C ZINC000182233302 368540167 /nfs/dbraw/zinc/54/01/67/368540167.db2.gz VLMRZYTYNLTXFO-CYBMUJFWSA-N 2 1 272.396 2.333 20 0 CEADMP CC[NH+](CC)CCCC1CC[NH+](Cc2ncnn2C)CC1 ZINC000182766977 368588397 /nfs/dbraw/zinc/58/83/97/368588397.db2.gz WCPQIUNSYLNDHF-UHFFFAOYSA-N 2 1 293.459 2.149 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000346298533 368624806 /nfs/dbraw/zinc/62/48/06/368624806.db2.gz WNVIHPNFMJPAHH-HUUCEWRRSA-N 2 1 295.471 2.227 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)O1 ZINC000184658666 368709449 /nfs/dbraw/zinc/70/94/49/368709449.db2.gz IAVMUGZYMLCETN-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP Cc1ccc(OCC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000358092726 370902022 /nfs/dbraw/zinc/90/20/22/370902022.db2.gz XPRNSFMIFPWWHJ-GDBMZVCRSA-N 2 1 262.397 2.304 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)[C@H](C)C1 ZINC000346552928 368714735 /nfs/dbraw/zinc/71/47/35/368714735.db2.gz BJKTUADRBWZUOK-BRWVUGGUSA-N 2 1 281.488 2.428 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000346572774 368722571 /nfs/dbraw/zinc/72/25/71/368722571.db2.gz YHUMXXYKFMEKJB-RRFJBIMHSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)CC(F)(F)F)C[C@@H]1C ZINC000346440492 368674937 /nfs/dbraw/zinc/67/49/37/368674937.db2.gz ANUWDGXOJXICFX-SRVKXCTJSA-N 2 1 282.350 2.104 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)CC(F)(F)F)C[C@@H]1C ZINC000346440492 368674940 /nfs/dbraw/zinc/67/49/40/368674940.db2.gz ANUWDGXOJXICFX-SRVKXCTJSA-N 2 1 282.350 2.104 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)CC(F)(F)F)C[C@@H]1C ZINC000346440492 368674941 /nfs/dbraw/zinc/67/49/41/368674941.db2.gz ANUWDGXOJXICFX-SRVKXCTJSA-N 2 1 282.350 2.104 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000346452736 368681023 /nfs/dbraw/zinc/68/10/23/368681023.db2.gz GSALXGOSPPQJAO-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP CCCCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358161280 370930351 /nfs/dbraw/zinc/93/03/51/370930351.db2.gz FRPYGULELHAKCL-KRWDZBQOSA-N 2 1 292.423 2.022 20 0 CEADMP CCCCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358161280 370930358 /nfs/dbraw/zinc/93/03/58/370930358.db2.gz FRPYGULELHAKCL-KRWDZBQOSA-N 2 1 292.423 2.022 20 0 CEADMP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000246176438 370921156 /nfs/dbraw/zinc/92/11/56/370921156.db2.gz JTEZFXZKAMXBRM-WMLDXEAASA-N 2 1 292.398 2.277 20 0 CEADMP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000246176438 370921167 /nfs/dbraw/zinc/92/11/67/370921167.db2.gz JTEZFXZKAMXBRM-WMLDXEAASA-N 2 1 292.398 2.277 20 0 CEADMP CC[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@@H](CC)C2)C1 ZINC000246330490 370948245 /nfs/dbraw/zinc/94/82/45/370948245.db2.gz XRRGVLMGICSKPE-HZPDHXFCSA-N 2 1 268.445 2.467 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346682049 368767255 /nfs/dbraw/zinc/76/72/55/368767255.db2.gz OVVMBHGXZROPAA-FZMZJTMJSA-N 2 1 278.444 2.424 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000346693259 368776438 /nfs/dbraw/zinc/77/64/38/368776438.db2.gz LTSCRTMLEHIHBK-OLZOCXBDSA-N 2 1 288.370 2.181 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000346636965 368745603 /nfs/dbraw/zinc/74/56/03/368745603.db2.gz INOWIFOBFHETOQ-BXUZGUMPSA-N 2 1 264.417 2.079 20 0 CEADMP CCOCc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000346646454 368749780 /nfs/dbraw/zinc/74/97/80/368749780.db2.gz NZZNHQXEMMTESH-ZFWWWQNUSA-N 2 1 292.423 2.401 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000346645532 368750627 /nfs/dbraw/zinc/75/06/27/368750627.db2.gz DTLUGCQNDDOORB-CQSZACIVSA-N 2 1 266.433 2.443 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000346645532 368750632 /nfs/dbraw/zinc/75/06/32/368750632.db2.gz DTLUGCQNDDOORB-CQSZACIVSA-N 2 1 266.433 2.443 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccccc1F ZINC000347315443 368805305 /nfs/dbraw/zinc/80/53/05/368805305.db2.gz KYZJCXGPHVLTBF-IUODEOHRSA-N 2 1 250.361 2.298 20 0 CEADMP O[C@@]1(C[N@@H+]2CC[C@H]2C2CC2)CC[NH+](Cc2ccccc2)C1 ZINC000634648486 368795995 /nfs/dbraw/zinc/79/59/95/368795995.db2.gz RRZGAMNQHDVUPC-ROUUACIJSA-N 2 1 286.419 2.108 20 0 CEADMP O[C@@]1(C[N@H+]2CC[C@H]2C2CC2)CC[NH+](Cc2ccccc2)C1 ZINC000634648486 368795999 /nfs/dbraw/zinc/79/59/99/368795999.db2.gz RRZGAMNQHDVUPC-ROUUACIJSA-N 2 1 286.419 2.108 20 0 CEADMP O[C@@]1(C[NH+]2CC[C@H]2C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634648486 368796002 /nfs/dbraw/zinc/79/60/02/368796002.db2.gz RRZGAMNQHDVUPC-ROUUACIJSA-N 2 1 286.419 2.108 20 0 CEADMP O[C@@]1(C[NH+]2CC[C@H]2C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634648486 368796006 /nfs/dbraw/zinc/79/60/06/368796006.db2.gz RRZGAMNQHDVUPC-ROUUACIJSA-N 2 1 286.419 2.108 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000634813335 368902706 /nfs/dbraw/zinc/90/27/06/368902706.db2.gz HOQBZIXJTDAQML-JTQLQIEISA-N 2 1 259.357 2.148 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]CCC2CCCCCC2)C1 ZINC000348260017 368972866 /nfs/dbraw/zinc/97/28/66/368972866.db2.gz IJIPQVBFWFPKSS-HNNXBMFYSA-N 2 1 254.418 2.003 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]CCC2CCCCCC2)C1 ZINC000348260017 368972867 /nfs/dbraw/zinc/97/28/67/368972867.db2.gz IJIPQVBFWFPKSS-HNNXBMFYSA-N 2 1 254.418 2.003 20 0 CEADMP C[C@@H]1C[C@@H](N(C)Cc2cc(O)cc(F)c2)CC[N@H+]1C ZINC000186241946 368943995 /nfs/dbraw/zinc/94/39/95/368943995.db2.gz QWXAZCREUZRFSB-RISCZKNCSA-N 2 1 266.360 2.446 20 0 CEADMP CC[NH+](CC)Cc1cccc(NC(=O)CC(F)(F)C[NH3+])c1 ZINC000572731159 299394844 /nfs/dbraw/zinc/39/48/44/299394844.db2.gz AZHDJRQLFWHRJJ-UHFFFAOYSA-N 2 1 299.365 2.451 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000348318334 369000597 /nfs/dbraw/zinc/00/05/97/369000597.db2.gz KFPLPMMPZSZXNE-PBHICJAKSA-N 2 1 291.439 2.379 20 0 CEADMP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccn(C)n1 ZINC000635010246 369046864 /nfs/dbraw/zinc/04/68/64/369046864.db2.gz ZDWCBXFXXKXBMS-UKRRQHHQSA-N 2 1 272.396 2.031 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000348355959 369015528 /nfs/dbraw/zinc/01/55/28/369015528.db2.gz NEQRTLCPSHKZLI-OAHLLOKOSA-N 2 1 269.477 2.284 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634991794 369019234 /nfs/dbraw/zinc/01/92/34/369019234.db2.gz RMIBYEQXSNKFOL-UKRRQHHQSA-N 2 1 296.418 2.500 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@H]1C[NH3+] ZINC000634998988 369031887 /nfs/dbraw/zinc/03/18/87/369031887.db2.gz ODMHERMPGXBXII-VXGBXAGGSA-N 2 1 288.370 2.242 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccncc3)s2)C[C@H]1C[NH3+] ZINC000634999423 369034219 /nfs/dbraw/zinc/03/42/19/369034219.db2.gz UOSAMAFWRTXVBL-DGCLKSJQSA-N 2 1 288.420 2.232 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000635000297 369035909 /nfs/dbraw/zinc/03/59/09/369035909.db2.gz LGWZUFSSCGZWIG-GXTWGEPZSA-N 2 1 278.396 2.121 20 0 CEADMP [NH3+][C@H](CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000635004364 369040402 /nfs/dbraw/zinc/04/04/02/369040402.db2.gz DVMUPCBCCYDQJG-KURKYZTESA-N 2 1 287.451 2.163 20 0 CEADMP [NH3+][C@H](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000635004364 369040405 /nfs/dbraw/zinc/04/04/05/369040405.db2.gz DVMUPCBCCYDQJG-KURKYZTESA-N 3 1 287.451 2.163 20 0 CEADMP [NH3+][C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000635004364 369040408 /nfs/dbraw/zinc/04/04/08/369040408.db2.gz DVMUPCBCCYDQJG-KURKYZTESA-N 3 1 287.451 2.163 20 0 CEADMP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cc2n(n1)CCC2 ZINC000635007846 369043872 /nfs/dbraw/zinc/04/38/72/369043872.db2.gz PSDYMTYUZXAJHG-ZBFHGGJFSA-N 2 1 298.434 2.440 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2nccnc2c1 ZINC000634954154 368987915 /nfs/dbraw/zinc/98/79/15/368987915.db2.gz VGOMBISWOIYGTR-UHFFFAOYSA-N 2 1 281.363 2.315 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@H]2CCC[C@H]21 ZINC000635011833 369049522 /nfs/dbraw/zinc/04/95/22/369049522.db2.gz PKNMLFKKVRVHIP-LVQVYYBASA-N 3 1 279.472 2.227 20 0 CEADMP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)[C@H]2CCC[C@H]21 ZINC000635011833 369049526 /nfs/dbraw/zinc/04/95/26/369049526.db2.gz PKNMLFKKVRVHIP-LVQVYYBASA-N 2 1 279.472 2.227 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)[C@H]2CCC[C@H]21 ZINC000635011833 369049532 /nfs/dbraw/zinc/04/95/32/369049532.db2.gz PKNMLFKKVRVHIP-LVQVYYBASA-N 2 1 279.472 2.227 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H]1CCCOC1 ZINC000348712199 369128628 /nfs/dbraw/zinc/12/86/28/369128628.db2.gz ULEOGAIWBKQLTI-INIZCTEOSA-N 2 1 286.379 2.187 20 0 CEADMP C[N@H+]1CC[C@H](CC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000635548480 369214471 /nfs/dbraw/zinc/21/44/71/369214471.db2.gz RUGNUSHMROMJRP-MRXNPFEDSA-N 2 1 295.471 2.101 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000348926895 369201895 /nfs/dbraw/zinc/20/18/95/369201895.db2.gz KSGLXQQGLMFCDG-LBPRGKRZSA-N 2 1 261.373 2.008 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000348926895 369201898 /nfs/dbraw/zinc/20/18/98/369201898.db2.gz KSGLXQQGLMFCDG-LBPRGKRZSA-N 2 1 261.373 2.008 20 0 CEADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+]1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000635605184 369241679 /nfs/dbraw/zinc/24/16/79/369241679.db2.gz KGAOBBKINLVVSI-HIFRSBDPSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](NC/C=C\C[NH2+][C@@H](C)c1ccon1)c1ccon1 ZINC000349198628 369264851 /nfs/dbraw/zinc/26/48/51/369264851.db2.gz LJKLPQSOHDWEOE-WGPFEIJOSA-N 2 1 276.340 2.220 20 0 CEADMP COC[C@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCOCC1 ZINC000188068845 369289560 /nfs/dbraw/zinc/28/95/60/369289560.db2.gz WQQIXPRSCDAXGU-INIZCTEOSA-N 2 1 295.427 2.003 20 0 CEADMP CCCn1ccnc1CCC[N@@H+](C)[C@@H]1CCCOC1 ZINC000683224871 541776963 /nfs/dbraw/zinc/77/69/63/541776963.db2.gz SFJQZTHNYYGQND-CQSZACIVSA-N 2 1 265.401 2.337 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCCOC1 ZINC000683224871 541776968 /nfs/dbraw/zinc/77/69/68/541776968.db2.gz SFJQZTHNYYGQND-CQSZACIVSA-N 2 1 265.401 2.337 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCCOC1 ZINC000683224871 541776971 /nfs/dbraw/zinc/77/69/71/541776971.db2.gz SFJQZTHNYYGQND-CQSZACIVSA-N 2 1 265.401 2.337 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(-n2cncn2)cc1 ZINC000349361806 369309374 /nfs/dbraw/zinc/30/93/74/369309374.db2.gz CBHVDEYXTZRNQM-UHFFFAOYSA-N 2 1 287.411 2.041 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@@H]1CCCOC1 ZINC000349380825 369314713 /nfs/dbraw/zinc/31/47/13/369314713.db2.gz FHJMGQJNAIFQKT-HNNXBMFYSA-N 2 1 256.434 2.467 20 0 CEADMP C[C@@H]1CC[C@H](C[NH+]2CCC([NH+]3CCCC3)CC2)O1 ZINC000188546218 369373762 /nfs/dbraw/zinc/37/37/62/369373762.db2.gz XMSYDOKNKWPLSF-UKRRQHHQSA-N 2 1 252.402 2.114 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635938218 369413583 /nfs/dbraw/zinc/41/35/83/369413583.db2.gz OEDOIYCLYFMPSX-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635941505 369414961 /nfs/dbraw/zinc/41/49/61/369414961.db2.gz WAIBHQVUNKQODR-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635941505 369414966 /nfs/dbraw/zinc/41/49/66/369414966.db2.gz WAIBHQVUNKQODR-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635941505 369414968 /nfs/dbraw/zinc/41/49/68/369414968.db2.gz WAIBHQVUNKQODR-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000349958255 369466224 /nfs/dbraw/zinc/46/62/24/369466224.db2.gz ARGNVJLOHGGCAY-HOCLYGCPSA-N 2 1 268.445 2.323 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000246373316 370951992 /nfs/dbraw/zinc/95/19/92/370951992.db2.gz JLRGRCRMESQVGT-XQLPTFJDSA-N 2 1 270.461 2.348 20 0 CEADMP CCC[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000358211339 370952614 /nfs/dbraw/zinc/95/26/14/370952614.db2.gz QNFOGKDLNRGTOM-CQSZACIVSA-N 2 1 283.460 2.096 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000358219194 370955325 /nfs/dbraw/zinc/95/53/25/370955325.db2.gz FJYMKXHYRCTFBL-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000358219194 370955329 /nfs/dbraw/zinc/95/53/29/370955329.db2.gz FJYMKXHYRCTFBL-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000358219194 370955332 /nfs/dbraw/zinc/95/53/32/370955332.db2.gz FJYMKXHYRCTFBL-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000358228377 370961213 /nfs/dbraw/zinc/96/12/13/370961213.db2.gz FQBZSOITQSWROT-LSDHHAIUSA-N 2 1 282.815 2.447 20 0 CEADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000358228377 370961218 /nfs/dbraw/zinc/96/12/18/370961218.db2.gz FQBZSOITQSWROT-LSDHHAIUSA-N 2 1 282.815 2.447 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCO1 ZINC000358239751 370966371 /nfs/dbraw/zinc/96/63/71/370966371.db2.gz YUWCNPBBAOYISR-CBBWQLFWSA-N 2 1 252.402 2.160 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)[C@H](C)C1 ZINC000246481803 370968791 /nfs/dbraw/zinc/96/87/91/370968791.db2.gz RGXZATNPTFAIFH-RDBSUJKOSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(O)ccc3C2)CC[N@@H+]1C ZINC000639104355 370982365 /nfs/dbraw/zinc/98/23/65/370982365.db2.gz BNYFEHXRYDKCOT-KCXAZCMYSA-N 2 1 274.408 2.322 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(O)ccc3C2)CC[N@H+]1C ZINC000639104355 370982370 /nfs/dbraw/zinc/98/23/70/370982370.db2.gz BNYFEHXRYDKCOT-KCXAZCMYSA-N 2 1 274.408 2.322 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCO ZINC000276318320 193284543 /nfs/dbraw/zinc/28/45/43/193284543.db2.gz ZNSNXBGZJZPIMA-QLPKVWCKSA-N 2 1 276.424 2.115 20 0 CEADMP Cc1ncccc1Cc1noc([C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC000351235581 369628950 /nfs/dbraw/zinc/62/89/50/369628950.db2.gz OHKZKCVMMGRYGN-ZWNOBZJWSA-N 2 1 272.352 2.029 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000351517712 369640064 /nfs/dbraw/zinc/64/00/64/369640064.db2.gz KQZYUZSWGGMGLY-IMJJTQAJSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351517712 369640067 /nfs/dbraw/zinc/64/00/67/369640067.db2.gz KQZYUZSWGGMGLY-IMJJTQAJSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351517712 369640070 /nfs/dbraw/zinc/64/00/70/369640070.db2.gz KQZYUZSWGGMGLY-IMJJTQAJSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351517712 369640073 /nfs/dbraw/zinc/64/00/73/369640073.db2.gz KQZYUZSWGGMGLY-IMJJTQAJSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351517712 369640074 /nfs/dbraw/zinc/64/00/74/369640074.db2.gz KQZYUZSWGGMGLY-IMJJTQAJSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000192645648 369838146 /nfs/dbraw/zinc/83/81/46/369838146.db2.gz VYRLSIZZLREDQY-OWCLPIDISA-N 2 1 268.445 2.369 20 0 CEADMP COC(=O)c1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c[nH]1 ZINC000276606565 193397935 /nfs/dbraw/zinc/39/79/35/193397935.db2.gz DGGXAVZHYBSHJQ-UHFFFAOYSA-N 2 1 293.411 2.013 20 0 CEADMP COCCC(C)(C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352730124 369858790 /nfs/dbraw/zinc/85/87/90/369858790.db2.gz APPFVWDRUJKEQT-UHFFFAOYSA-N 2 1 271.430 2.109 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC2CCSCC2)s1 ZINC000352748304 369866194 /nfs/dbraw/zinc/86/61/94/369866194.db2.gz IDXVJNUFRYAFRH-UHFFFAOYSA-N 2 1 285.482 2.438 20 0 CEADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC1CC[NH+](C2CCC2)CC1 ZINC000352749445 369866264 /nfs/dbraw/zinc/86/62/64/369866264.db2.gz QOKIHUQZVVPVCJ-SUMWQHHRSA-N 2 1 277.456 2.076 20 0 CEADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000352749445 369866266 /nfs/dbraw/zinc/86/62/66/369866266.db2.gz QOKIHUQZVVPVCJ-SUMWQHHRSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)s1 ZINC000352755592 369867929 /nfs/dbraw/zinc/86/79/29/369867929.db2.gz MPOLYYFWMHJFCU-MJBXVCDLSA-N 2 1 295.452 2.252 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(CCO)CCCC2)s1 ZINC000352760488 369871044 /nfs/dbraw/zinc/87/10/44/369871044.db2.gz PKVQRPBQGHPSRV-UHFFFAOYSA-N 2 1 297.468 2.237 20 0 CEADMP C[NH+]1CCC([NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000193266127 369914524 /nfs/dbraw/zinc/91/45/24/369914524.db2.gz FTZWLEOJKSKEHW-UHFFFAOYSA-N 2 1 274.408 2.238 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000353124226 370028108 /nfs/dbraw/zinc/02/81/08/370028108.db2.gz YSAMWZDFBGCQLL-CAOSSQGBSA-N 2 1 296.455 2.428 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000353124226 370028113 /nfs/dbraw/zinc/02/81/13/370028113.db2.gz YSAMWZDFBGCQLL-CAOSSQGBSA-N 2 1 296.455 2.428 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1C ZINC000193951704 369995254 /nfs/dbraw/zinc/99/52/54/369995254.db2.gz OTQRJFTUJKKLPJ-HNNXBMFYSA-N 2 1 262.397 2.387 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1C ZINC000193951704 369995257 /nfs/dbraw/zinc/99/52/57/369995257.db2.gz OTQRJFTUJKKLPJ-HNNXBMFYSA-N 2 1 262.397 2.387 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C[N@H+]1C1CC1 ZINC000353535258 370116608 /nfs/dbraw/zinc/11/66/08/370116608.db2.gz VQRUMNJPMSRQPE-XLTGGDBASA-N 2 1 277.456 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C[NH+]1C1CC1 ZINC000353535258 370116610 /nfs/dbraw/zinc/11/66/10/370116610.db2.gz VQRUMNJPMSRQPE-XLTGGDBASA-N 2 1 277.456 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C[NH+]1C1CC1 ZINC000353535258 370116613 /nfs/dbraw/zinc/11/66/13/370116613.db2.gz VQRUMNJPMSRQPE-XLTGGDBASA-N 2 1 277.456 2.074 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CN1C1CC1 ZINC000353535258 370116619 /nfs/dbraw/zinc/11/66/19/370116619.db2.gz VQRUMNJPMSRQPE-XLTGGDBASA-N 2 1 277.456 2.074 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1(C)C ZINC000353533940 370116646 /nfs/dbraw/zinc/11/66/46/370116646.db2.gz YIMDMMPRQSBZQI-ARILJUKYSA-N 2 1 266.429 2.262 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCCC2)[C@@H]1C ZINC000353919161 370135796 /nfs/dbraw/zinc/13/57/96/370135796.db2.gz WUSYCKNKAPQUDS-ILXRZTDVSA-N 2 1 296.455 2.428 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638076394 370283435 /nfs/dbraw/zinc/28/34/35/370283435.db2.gz JVLCYRUJNTWNOH-IRXDYDNUSA-N 2 1 287.451 2.396 20 0 CEADMP CCC[C@H](C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C)OC ZINC000638113535 370309458 /nfs/dbraw/zinc/30/94/58/370309458.db2.gz PATWLNJSXXUAHN-KFWWJZLASA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+](CC)[C@H]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000354383232 370341820 /nfs/dbraw/zinc/34/18/20/370341820.db2.gz GPNWMIXSPKBPEY-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP COC1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000228527172 370404989 /nfs/dbraw/zinc/40/49/89/370404989.db2.gz IBIJHIRTKAQVJN-WUCCLRPBSA-N 2 1 252.402 2.160 20 0 CEADMP COC1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000228527172 370404993 /nfs/dbraw/zinc/40/49/93/370404993.db2.gz IBIJHIRTKAQVJN-WUCCLRPBSA-N 2 1 252.402 2.160 20 0 CEADMP CCOC1CC(C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000638320984 370444379 /nfs/dbraw/zinc/44/43/79/370444379.db2.gz HJUCSRVDFHPXNK-UHFFFAOYSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000638451538 370540802 /nfs/dbraw/zinc/54/08/02/370540802.db2.gz PCBXIATXQXBZPL-LBPRGKRZSA-N 2 1 299.365 2.065 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000638451538 370540806 /nfs/dbraw/zinc/54/08/06/370540806.db2.gz PCBXIATXQXBZPL-LBPRGKRZSA-N 2 1 299.365 2.065 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000355202170 370547428 /nfs/dbraw/zinc/54/74/28/370547428.db2.gz BTNMBXMEKMHTNQ-ZBFHGGJFSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000355202170 370547431 /nfs/dbraw/zinc/54/74/31/370547431.db2.gz BTNMBXMEKMHTNQ-ZBFHGGJFSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000355202170 370547433 /nfs/dbraw/zinc/54/74/33/370547433.db2.gz BTNMBXMEKMHTNQ-ZBFHGGJFSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000355202170 370547435 /nfs/dbraw/zinc/54/74/35/370547435.db2.gz BTNMBXMEKMHTNQ-ZBFHGGJFSA-N 2 1 289.423 2.396 20 0 CEADMP COc1cccc(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000638588511 370622261 /nfs/dbraw/zinc/62/22/61/370622261.db2.gz MBYKARIGHVKWQI-CQSZACIVSA-N 2 1 262.397 2.435 20 0 CEADMP COc1cccc(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000638588511 370622263 /nfs/dbraw/zinc/62/22/63/370622263.db2.gz MBYKARIGHVKWQI-CQSZACIVSA-N 2 1 262.397 2.435 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)C3CC[NH2+]CC3)c2C1 ZINC000236811549 370632628 /nfs/dbraw/zinc/63/26/28/370632628.db2.gz IOJZLQDTQVEXSJ-UHFFFAOYSA-N 2 1 287.407 2.350 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)C3CC[NH2+]CC3)c2C1 ZINC000236811549 370632633 /nfs/dbraw/zinc/63/26/33/370632633.db2.gz IOJZLQDTQVEXSJ-UHFFFAOYSA-N 2 1 287.407 2.350 20 0 CEADMP CO[C@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CC(C)C ZINC000639117367 370993747 /nfs/dbraw/zinc/99/37/47/370993747.db2.gz HUELZLPMTQQRDR-HOTGVXAUSA-N 2 1 286.460 2.138 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000236837930 370638697 /nfs/dbraw/zinc/63/86/97/370638697.db2.gz QINHKIXBZPLVHY-ZBFHGGJFSA-N 2 1 291.439 2.141 20 0 CEADMP Cc1cccc(NCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000358391376 371046872 /nfs/dbraw/zinc/04/68/72/371046872.db2.gz YEKKDQWVJIGKMS-GJZGRUSLSA-N 2 1 274.412 2.018 20 0 CEADMP C[NH+](CCCCC[N@H+](C)C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000246811474 371014997 /nfs/dbraw/zinc/01/49/97/371014997.db2.gz ARUFXXQYPBTWGH-IAGOWNOFSA-N 2 1 298.471 2.378 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000247033833 371052081 /nfs/dbraw/zinc/05/20/81/371052081.db2.gz NSWUBWPSDBTFAC-HLLBOEOZSA-N 3 1 281.488 2.427 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)CC1 ZINC000247033833 371052084 /nfs/dbraw/zinc/05/20/84/371052084.db2.gz NSWUBWPSDBTFAC-HLLBOEOZSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C1(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000639169825 371041862 /nfs/dbraw/zinc/04/18/62/371041862.db2.gz KWNHLXUFYYUSFD-UHFFFAOYSA-N 2 1 281.488 2.380 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC2CCSCC2)C1 ZINC000639170524 371042028 /nfs/dbraw/zinc/04/20/28/371042028.db2.gz UFIPLRWDHDXXIP-CQSZACIVSA-N 2 1 256.459 2.450 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)OC ZINC000639170320 371042703 /nfs/dbraw/zinc/04/27/03/371042703.db2.gz SVDHYBJDZHICES-RRFJBIMHSA-N 2 1 256.434 2.367 20 0 CEADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC000639177602 371055785 /nfs/dbraw/zinc/05/57/85/371055785.db2.gz VZMAZOGJHYREPW-CQSZACIVSA-N 2 1 293.374 2.353 20 0 CEADMP COCC1(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)CCC1 ZINC000639179041 371058585 /nfs/dbraw/zinc/05/85/85/371058585.db2.gz RDHMUKTVMUBREL-UONOGXRCSA-N 2 1 254.418 2.075 20 0 CEADMP COCC1(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)CCC1 ZINC000639179041 371058589 /nfs/dbraw/zinc/05/85/89/371058589.db2.gz RDHMUKTVMUBREL-UONOGXRCSA-N 2 1 254.418 2.075 20 0 CEADMP COCC1(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CCC1 ZINC000639179041 371058592 /nfs/dbraw/zinc/05/85/92/371058592.db2.gz RDHMUKTVMUBREL-UONOGXRCSA-N 2 1 254.418 2.075 20 0 CEADMP COCC1(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000639179041 371058597 /nfs/dbraw/zinc/05/85/97/371058597.db2.gz RDHMUKTVMUBREL-UONOGXRCSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000639180752 371061036 /nfs/dbraw/zinc/06/10/36/371061036.db2.gz XYENJCIEKWXJSZ-GUYCJALGSA-N 2 1 284.407 2.402 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2nccnc2c1 ZINC000639180752 371061051 /nfs/dbraw/zinc/06/10/51/371061051.db2.gz XYENJCIEKWXJSZ-GUYCJALGSA-N 2 1 284.407 2.402 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000639180752 371061055 /nfs/dbraw/zinc/06/10/55/371061055.db2.gz XYENJCIEKWXJSZ-GUYCJALGSA-N 2 1 284.407 2.402 20 0 CEADMP CCOC(=O)CCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247086861 371061523 /nfs/dbraw/zinc/06/15/23/371061523.db2.gz XHZMPBYTJKYYFO-KBPBESRZSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247086861 371061528 /nfs/dbraw/zinc/06/15/28/371061528.db2.gz XHZMPBYTJKYYFO-KBPBESRZSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247086861 371061534 /nfs/dbraw/zinc/06/15/34/371061534.db2.gz XHZMPBYTJKYYFO-KBPBESRZSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247086861 371061537 /nfs/dbraw/zinc/06/15/37/371061537.db2.gz XHZMPBYTJKYYFO-KBPBESRZSA-N 2 1 270.417 2.134 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247124656 371067534 /nfs/dbraw/zinc/06/75/34/371067534.db2.gz RJPGLWJSENSOBK-UGUYLWEFSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247124656 371067536 /nfs/dbraw/zinc/06/75/36/371067536.db2.gz RJPGLWJSENSOBK-UGUYLWEFSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247124656 371067540 /nfs/dbraw/zinc/06/75/40/371067540.db2.gz RJPGLWJSENSOBK-UGUYLWEFSA-N 2 1 267.461 2.179 20 0 CEADMP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cs1 ZINC000247132485 371069619 /nfs/dbraw/zinc/06/96/19/371069619.db2.gz VPINECGXFGUJMJ-RYUDHWBXSA-N 2 1 267.442 2.320 20 0 CEADMP CC1=CC[N@@H+](CCNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000358463916 371077412 /nfs/dbraw/zinc/07/74/12/371077412.db2.gz IRIFZCLPIQITNZ-JYJNAYRXSA-N 2 1 293.455 2.016 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cnn(C)c2)C1 ZINC000247251110 371083333 /nfs/dbraw/zinc/08/33/33/371083333.db2.gz ZSRWKXVSZVZWFA-DZGCQCFKSA-N 2 1 264.417 2.193 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cnn(C)c2)C1 ZINC000247251110 371083341 /nfs/dbraw/zinc/08/33/41/371083341.db2.gz ZSRWKXVSZVZWFA-DZGCQCFKSA-N 2 1 264.417 2.193 20 0 CEADMP CCC[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC)OC ZINC000639210420 371100519 /nfs/dbraw/zinc/10/05/19/371100519.db2.gz FQVUSRKFKGBWSF-FCLJQHQZSA-N 2 1 298.471 2.375 20 0 CEADMP CCC[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)OC ZINC000639210420 371100522 /nfs/dbraw/zinc/10/05/22/371100522.db2.gz FQVUSRKFKGBWSF-FCLJQHQZSA-N 2 1 298.471 2.375 20 0 CEADMP CCC[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)OC ZINC000639210420 371100527 /nfs/dbraw/zinc/10/05/27/371100527.db2.gz FQVUSRKFKGBWSF-FCLJQHQZSA-N 2 1 298.471 2.375 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccn1 ZINC000639257373 371156777 /nfs/dbraw/zinc/15/67/77/371156777.db2.gz MZISDMLQHOMRTG-CABCVRRESA-N 2 1 291.439 2.343 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N(C)C)[C@@H](C)C1 ZINC000248067904 371158567 /nfs/dbraw/zinc/15/85/67/371158567.db2.gz ZYOFEEAWCVQXNO-SOUVJXGZSA-N 2 1 279.428 2.202 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N(C)C)[C@@H](C)C1 ZINC000248067904 371158570 /nfs/dbraw/zinc/15/85/70/371158570.db2.gz ZYOFEEAWCVQXNO-SOUVJXGZSA-N 2 1 279.428 2.202 20 0 CEADMP COCC1(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000639258108 371158157 /nfs/dbraw/zinc/15/81/57/371158157.db2.gz ZRNGRNYXNZXMKX-AWEZNQCLSA-N 2 1 254.418 2.125 20 0 CEADMP CO[C@@H](C)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000248406003 371188936 /nfs/dbraw/zinc/18/89/36/371188936.db2.gz AXGMJDPYRUGRQI-HRCADAONSA-N 2 1 298.471 2.233 20 0 CEADMP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c(F)c1 ZINC000639287444 371190311 /nfs/dbraw/zinc/19/03/11/371190311.db2.gz LLIZAIJTUNZAQE-UHFFFAOYSA-N 2 1 292.398 2.431 20 0 CEADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(F)c1 ZINC000639287444 371190315 /nfs/dbraw/zinc/19/03/15/371190315.db2.gz LLIZAIJTUNZAQE-UHFFFAOYSA-N 2 1 292.398 2.431 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358744461 371201613 /nfs/dbraw/zinc/20/16/13/371201613.db2.gz QTXMZGRLVOSVEJ-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C(C1CCSCC1)[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000639301257 371205055 /nfs/dbraw/zinc/20/50/55/371205055.db2.gz CRRBQPZILDKGIJ-INIZCTEOSA-N 2 1 298.496 2.316 20 0 CEADMP CCOC(C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1)OCC ZINC000248633764 371227401 /nfs/dbraw/zinc/22/74/01/371227401.db2.gz UHBIYOPCADFRFX-KGLIPLIRSA-N 2 1 281.400 2.165 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)OC ZINC000639347013 371260177 /nfs/dbraw/zinc/26/01/77/371260177.db2.gz KQMAFTNJDFNGQO-SOUVJXGZSA-N 2 1 256.434 2.369 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC2CCSCC2)CCO1 ZINC000639334274 371244779 /nfs/dbraw/zinc/24/47/79/371244779.db2.gz BSAZLJBYWKDZPG-OAHLLOKOSA-N 2 1 286.485 2.172 20 0 CEADMP CCCC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358871897 371252845 /nfs/dbraw/zinc/25/28/45/371252845.db2.gz LAVJRPVLFYEIMJ-HOTGVXAUSA-N 2 1 298.471 2.377 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C)O2)[C@H](C)C1 ZINC000249029443 371283575 /nfs/dbraw/zinc/28/35/75/371283575.db2.gz FCRDIEREUDLCPQ-NCOADZHNSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@H]1CCCO1 ZINC000359084798 371330882 /nfs/dbraw/zinc/33/08/82/371330882.db2.gz RUHNZDJIHIBALD-VXGQWTEUSA-N 2 1 252.402 2.160 20 0 CEADMP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC000249374791 371317002 /nfs/dbraw/zinc/31/70/02/371317002.db2.gz PNGNNAZNRUYTIS-STQMWFEESA-N 2 1 294.361 2.108 20 0 CEADMP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC000249374791 371317004 /nfs/dbraw/zinc/31/70/04/371317004.db2.gz PNGNNAZNRUYTIS-STQMWFEESA-N 2 1 294.361 2.108 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639506983 371368759 /nfs/dbraw/zinc/36/87/59/371368759.db2.gz FVXLKKANJNUUOA-JKSUJKDBSA-N 2 1 280.456 2.465 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639506983 371368768 /nfs/dbraw/zinc/36/87/68/371368768.db2.gz FVXLKKANJNUUOA-JKSUJKDBSA-N 2 1 280.456 2.465 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639506983 371368775 /nfs/dbraw/zinc/36/87/75/371368775.db2.gz FVXLKKANJNUUOA-JKSUJKDBSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000639501162 371365773 /nfs/dbraw/zinc/36/57/73/371365773.db2.gz SYGDCYAZZOFSEO-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1OCC[C@H]1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000639501162 371365777 /nfs/dbraw/zinc/36/57/77/371365777.db2.gz SYGDCYAZZOFSEO-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1OCC[C@H]1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000639501162 371365783 /nfs/dbraw/zinc/36/57/83/371365783.db2.gz SYGDCYAZZOFSEO-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC(C)(C)CO2)[C@H](C)C1 ZINC000639533738 371390403 /nfs/dbraw/zinc/39/04/03/371390403.db2.gz QEHFHUKDVGMIQI-KFWWJZLASA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC(C)(C)CO2)[C@H](C)C1 ZINC000639533738 371390405 /nfs/dbraw/zinc/39/04/05/371390405.db2.gz QEHFHUKDVGMIQI-KFWWJZLASA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC(C)(C)CO2)[C@H](C)C1 ZINC000639533738 371390408 /nfs/dbraw/zinc/39/04/08/371390408.db2.gz QEHFHUKDVGMIQI-KFWWJZLASA-N 2 1 268.445 2.464 20 0 CEADMP COC[C@@H](C)C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000249946939 371371319 /nfs/dbraw/zinc/37/13/19/371371319.db2.gz UPDOCEKUWXTZJV-GJZGRUSLSA-N 2 1 256.434 2.371 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)CC[C@H]1[NH3+] ZINC000251836712 371418883 /nfs/dbraw/zinc/41/88/83/371418883.db2.gz QAWSURHIDXDDMD-GXFFZTMASA-N 2 1 270.323 2.457 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000359209782 371376285 /nfs/dbraw/zinc/37/62/85/371376285.db2.gz LGRINMLRSXYYDG-HOCLYGCPSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000359209782 371376289 /nfs/dbraw/zinc/37/62/89/371376289.db2.gz LGRINMLRSXYYDG-HOCLYGCPSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000359209782 371376296 /nfs/dbraw/zinc/37/62/96/371376296.db2.gz LGRINMLRSXYYDG-HOCLYGCPSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000359209782 371376302 /nfs/dbraw/zinc/37/63/02/371376302.db2.gz LGRINMLRSXYYDG-HOCLYGCPSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000359209782 371376306 /nfs/dbraw/zinc/37/63/06/371376306.db2.gz LGRINMLRSXYYDG-HOCLYGCPSA-N 2 1 267.461 2.038 20 0 CEADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000359215143 371378189 /nfs/dbraw/zinc/37/81/89/371378189.db2.gz QOGPXBUAUYDAAY-QGZVFWFLSA-N 3 1 279.472 2.184 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC000639527747 371385605 /nfs/dbraw/zinc/38/56/05/371385605.db2.gz VCMCLJDDMXEDBK-CQSZACIVSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000359375413 371452598 /nfs/dbraw/zinc/45/25/98/371452598.db2.gz ZXXLVMWKYCEAQR-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1OCC[C@H]1C[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000639644110 371461864 /nfs/dbraw/zinc/46/18/64/371461864.db2.gz MCZUYOQZLGSEQR-CABCVRRESA-N 2 1 280.412 2.458 20 0 CEADMP c1nn2ccccc2c1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667507 371464400 /nfs/dbraw/zinc/46/44/00/371464400.db2.gz KQWRUMDZZHVCJF-CABCVRRESA-N 2 1 270.380 2.051 20 0 CEADMP c1nn2ccccc2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667507 371464406 /nfs/dbraw/zinc/46/44/06/371464406.db2.gz KQWRUMDZZHVCJF-CABCVRRESA-N 2 1 270.380 2.051 20 0 CEADMP c1nn2ccccc2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667507 371464414 /nfs/dbraw/zinc/46/44/14/371464414.db2.gz KQWRUMDZZHVCJF-CABCVRRESA-N 2 1 270.380 2.051 20 0 CEADMP [NH3+]CC1(CC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000252838587 371480620 /nfs/dbraw/zinc/48/06/20/371480620.db2.gz BRTAMJYNYLQRRG-CABCVRRESA-N 2 1 293.455 2.029 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000252840713 371481253 /nfs/dbraw/zinc/48/12/53/371481253.db2.gz BTLCDMKOOYSKKX-KKUMJFAQSA-N 2 1 290.407 2.263 20 0 CEADMP C[C@H]1CC[N@@H+](CCOc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000253177971 371500663 /nfs/dbraw/zinc/50/06/63/371500663.db2.gz BIKGQGAKEYXLMD-QWHCGFSZSA-N 2 1 266.360 2.121 20 0 CEADMP C[C@@H](C(=O)N(C)C[C@@H]1CCC[NH+](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000360413081 371514548 /nfs/dbraw/zinc/51/45/48/371514548.db2.gz WPCRSYDBYDTXDQ-XUWVNRHRSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000360413081 371514553 /nfs/dbraw/zinc/51/45/53/371514553.db2.gz WPCRSYDBYDTXDQ-XUWVNRHRSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000360413081 371514558 /nfs/dbraw/zinc/51/45/58/371514558.db2.gz WPCRSYDBYDTXDQ-XUWVNRHRSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cncc(OC)c2)C1 ZINC000253426291 371521365 /nfs/dbraw/zinc/52/13/65/371521365.db2.gz DSVUZONVDGCFFX-AWEZNQCLSA-N 2 1 277.412 2.254 20 0 CEADMP CC[N@@H+]1[C@H](C)CN(CC[C@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000639744831 371530809 /nfs/dbraw/zinc/53/08/09/371530809.db2.gz SVPHSTZPBDESSV-OWCLPIDISA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1[C@H](C)CN(CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1C ZINC000639744831 371530813 /nfs/dbraw/zinc/53/08/13/371530813.db2.gz SVPHSTZPBDESSV-OWCLPIDISA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1[C@H](C)CN(CC[C@H]2CCCC[N@H+]2C)C[C@@H]1C ZINC000639744831 371530819 /nfs/dbraw/zinc/53/08/19/371530819.db2.gz SVPHSTZPBDESSV-OWCLPIDISA-N 2 1 267.461 2.275 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCC3(C2)CC[NH+](C)CC3)CCO1 ZINC000639754574 371544991 /nfs/dbraw/zinc/54/49/91/371544991.db2.gz CITOOJDIMPVDDJ-LSDHHAIUSA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)COCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756609 371546239 /nfs/dbraw/zinc/54/62/39/371546239.db2.gz YPAVGXVAWBUKHR-UHFFFAOYSA-N 2 1 254.418 2.077 20 0 CEADMP Cc1ncccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756610 371546905 /nfs/dbraw/zinc/54/69/05/371546905.db2.gz YQXAWWIGXRESSK-UHFFFAOYSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)ccn1 ZINC000639756594 371546967 /nfs/dbraw/zinc/54/69/67/371546967.db2.gz XXDOFWRKSDGKFA-UHFFFAOYSA-N 2 1 259.397 2.308 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639757406 371547103 /nfs/dbraw/zinc/54/71/03/371547103.db2.gz LCUKHZFMNXWAAK-UHFFFAOYSA-N 2 1 289.423 2.398 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000359931924 371494375 /nfs/dbraw/zinc/49/43/75/371494375.db2.gz CRACGZCHTPFRNC-ZJIFWQFVSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000359931924 371494378 /nfs/dbraw/zinc/49/43/78/371494378.db2.gz CRACGZCHTPFRNC-ZJIFWQFVSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000359931924 371494381 /nfs/dbraw/zinc/49/43/81/371494381.db2.gz CRACGZCHTPFRNC-ZJIFWQFVSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@H](C[NH2+]Cc1cn(C)nc1C(F)F)C[NH+]1CCCC1 ZINC000360965857 371567269 /nfs/dbraw/zinc/56/72/69/371567269.db2.gz JEZNZOFCQFWCHQ-LLVKDONJSA-N 2 1 286.370 2.179 20 0 CEADMP CCOc1ccccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261594380 371669470 /nfs/dbraw/zinc/66/94/70/371669470.db2.gz NNZIJGINPRHYKX-INIZCTEOSA-N 2 1 260.381 2.271 20 0 CEADMP CCOc1ccccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261594380 371669474 /nfs/dbraw/zinc/66/94/74/371669474.db2.gz NNZIJGINPRHYKX-INIZCTEOSA-N 2 1 260.381 2.271 20 0 CEADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261607374 371675316 /nfs/dbraw/zinc/67/53/16/371675316.db2.gz DERRJFWKBMGPSS-OCCSQVGLSA-N 2 1 295.377 2.005 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000353311930 220021685 /nfs/dbraw/zinc/02/16/85/220021685.db2.gz HULYMXXJJDNQGJ-BZUAXINKSA-N 2 1 277.412 2.376 20 0 CEADMP C[C@H](NC[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261554810 371645865 /nfs/dbraw/zinc/64/58/65/371645865.db2.gz UQIQINJEWGSLJK-SZMVWBNQSA-N 2 1 287.451 2.239 20 0 CEADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000261719448 371711111 /nfs/dbraw/zinc/71/11/11/371711111.db2.gz KCVABNZIZSMXID-HUBLWGQQSA-N 2 1 278.396 2.352 20 0 CEADMP C[N@@H+](CCNC(=O)CC[C@@H]1CCCC[NH+]1C)C1CCCC1 ZINC000353325110 220027593 /nfs/dbraw/zinc/02/75/93/220027593.db2.gz IHFSXVSFEFYUPX-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC000353325110 220027595 /nfs/dbraw/zinc/02/75/95/220027595.db2.gz IHFSXVSFEFYUPX-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CCNC(=O)CC[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC000353325110 220027596 /nfs/dbraw/zinc/02/75/96/220027596.db2.gz IHFSXVSFEFYUPX-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP FC(F)Oc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261734542 371714115 /nfs/dbraw/zinc/71/41/15/371714115.db2.gz LLKRRUVZAJDTKN-STQMWFEESA-N 2 1 282.334 2.329 20 0 CEADMP FC(F)Oc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261734542 371714116 /nfs/dbraw/zinc/71/41/16/371714116.db2.gz LLKRRUVZAJDTKN-STQMWFEESA-N 2 1 282.334 2.329 20 0 CEADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261754379 371720355 /nfs/dbraw/zinc/72/03/55/371720355.db2.gz NFPVNLQXWFPROI-CZUORRHYSA-N 2 1 293.842 2.381 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000261758908 371721057 /nfs/dbraw/zinc/72/10/57/371721057.db2.gz CVUZEGIEIWZTST-VXGBXAGGSA-N 2 1 290.436 2.318 20 0 CEADMP C[C@@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000361231278 371728547 /nfs/dbraw/zinc/72/85/47/371728547.db2.gz HWVJDDRZARZIGT-QCAJKXFRSA-N 2 1 294.483 2.494 20 0 CEADMP CCC[N@@H+](C[C@H]1CCCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000261776779 371728778 /nfs/dbraw/zinc/72/87/78/371728778.db2.gz NMTXXDUJWJUFJI-CABCVRRESA-N 2 1 254.418 2.267 20 0 CEADMP CC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CCOC1 ZINC000361175235 371698853 /nfs/dbraw/zinc/69/88/53/371698853.db2.gz MYOBQMIQRKGFKF-JKSUJKDBSA-N 2 1 296.455 2.036 20 0 CEADMP CCCC[C@@H](COC)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361174129 371699144 /nfs/dbraw/zinc/69/91/44/371699144.db2.gz SSYVJOPPAUTLDW-INIZCTEOSA-N 2 1 298.471 2.426 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@@H](COc3ccccc3)C2)CC[NH2+]C1 ZINC000261695141 371703526 /nfs/dbraw/zinc/70/35/26/371703526.db2.gz BRZSUBLZPWONPB-WBVHZDCISA-N 2 1 274.408 2.387 20 0 CEADMP c1cnc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2c1 ZINC000261832360 371745816 /nfs/dbraw/zinc/74/58/16/371745816.db2.gz UXDGLJUKPZSKSH-RDJZCZTQSA-N 2 1 267.376 2.419 20 0 CEADMP c1cnc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2c1 ZINC000261832360 371745820 /nfs/dbraw/zinc/74/58/20/371745820.db2.gz UXDGLJUKPZSKSH-RDJZCZTQSA-N 2 1 267.376 2.419 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000261835885 371745842 /nfs/dbraw/zinc/74/58/42/371745842.db2.gz JLFPHJPCSCCTCT-UHFFFAOYSA-N 2 1 252.406 2.189 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000261835885 371745846 /nfs/dbraw/zinc/74/58/46/371745846.db2.gz JLFPHJPCSCCTCT-UHFFFAOYSA-N 2 1 252.406 2.189 20 0 CEADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261841094 371748425 /nfs/dbraw/zinc/74/84/25/371748425.db2.gz VPSPQCJZVIMAEG-IRXDYDNUSA-N 2 1 273.424 2.117 20 0 CEADMP CCN(C(=O)[C@@H](C)[NH3+])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000261890339 371762495 /nfs/dbraw/zinc/76/24/95/371762495.db2.gz WEQPAGPCIQENBD-FMKPAKJESA-N 2 1 289.423 2.018 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000261890745 371762524 /nfs/dbraw/zinc/76/25/24/371762524.db2.gz WKTVDFHVFQBGMM-HOTGVXAUSA-N 2 1 295.471 2.004 20 0 CEADMP CC(C)([NH3+])C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000261920389 371771278 /nfs/dbraw/zinc/77/12/78/371771278.db2.gz KIKYJGWEGGWBKX-UHFFFAOYSA-N 2 1 293.386 2.214 20 0 CEADMP Cc1ccccc1N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261974159 371787970 /nfs/dbraw/zinc/78/79/70/371787970.db2.gz IOHSKLBAEAQQBQ-KRWDZBQOSA-N 2 1 273.424 2.117 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000261985007 371790138 /nfs/dbraw/zinc/79/01/38/371790138.db2.gz RSWQMCQXXSKDFL-HOCLYGCPSA-N 2 1 290.455 2.485 20 0 CEADMP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261997144 371795431 /nfs/dbraw/zinc/79/54/31/371795431.db2.gz KWDPRCFXWFBTND-KRWDZBQOSA-N 2 1 282.391 2.262 20 0 CEADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261997144 371795434 /nfs/dbraw/zinc/79/54/34/371795434.db2.gz KWDPRCFXWFBTND-KRWDZBQOSA-N 2 1 282.391 2.262 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000344037603 217023427 /nfs/dbraw/zinc/02/34/27/217023427.db2.gz XSDDVJGCTHCRRV-ARFHVFGLSA-N 2 1 276.424 2.160 20 0 CEADMP C[C@]1(C[NH+]2CCC(Oc3ncccc3F)CC2)CC[NH2+]C1 ZINC000262029521 371804186 /nfs/dbraw/zinc/80/41/86/371804186.db2.gz NZBVSYDUALPVIB-INIZCTEOSA-N 2 1 293.386 2.064 20 0 CEADMP C[NH2+]CCC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000262026715 371804238 /nfs/dbraw/zinc/80/42/38/371804238.db2.gz ZPCMRNAPBUYSLP-LLVKDONJSA-N 2 1 278.400 2.330 20 0 CEADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262033598 371804818 /nfs/dbraw/zinc/80/48/18/371804818.db2.gz OIMKVKGSUGJBJE-QGZVFWFLSA-N 2 1 283.375 2.126 20 0 CEADMP COCC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CC[C@@H](C)C1 ZINC000262072917 371818667 /nfs/dbraw/zinc/81/86/67/371818667.db2.gz SFYUPTYDOFUXHK-QLFBSQMISA-N 2 1 254.418 2.123 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1Cl ZINC000262096574 371823736 /nfs/dbraw/zinc/82/37/36/371823736.db2.gz IABUWDXQKIDCGU-OAHLLOKOSA-N 2 1 293.842 2.128 20 0 CEADMP Cc1cccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c1C ZINC000361463869 371856979 /nfs/dbraw/zinc/85/69/79/371856979.db2.gz NMMZAYUVLQXUCM-UHFFFAOYSA-N 2 1 276.424 2.240 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)CC[N@H+]1C ZINC000361483331 371868672 /nfs/dbraw/zinc/86/86/72/371868672.db2.gz DGYNHIDQRXCTLO-GDBMZVCRSA-N 3 1 284.407 2.445 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)CCN1C ZINC000361483331 371868674 /nfs/dbraw/zinc/86/86/74/371868674.db2.gz DGYNHIDQRXCTLO-GDBMZVCRSA-N 3 1 284.407 2.445 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](CC1CCC1)[C@@H](C)CO ZINC000361492349 371873934 /nfs/dbraw/zinc/87/39/34/371873934.db2.gz GXULSXZFZDVLCJ-ZDUSSCGKSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000361492349 371873942 /nfs/dbraw/zinc/87/39/42/371873942.db2.gz GXULSXZFZDVLCJ-ZDUSSCGKSA-N 2 1 265.401 2.065 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000262696614 371897017 /nfs/dbraw/zinc/89/70/17/371897017.db2.gz DXNWAAWNHVNRSG-KFWWJZLASA-N 2 1 283.460 2.131 20 0 CEADMP CO[C@@H](C)[C@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000361529442 371900980 /nfs/dbraw/zinc/90/09/80/371900980.db2.gz YBLGNIUNHDBXKE-KBPBESRZSA-N 2 1 277.412 2.372 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]CCC2CCCCC2)CC1 ZINC000361594024 371961809 /nfs/dbraw/zinc/96/18/09/371961809.db2.gz KWEMRDWSPMWJHA-UHFFFAOYSA-N 2 1 268.445 2.393 20 0 CEADMP Cc1nccn1CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533100 372021092 /nfs/dbraw/zinc/02/10/92/372021092.db2.gz MGYVXEZAEYAUOJ-UHFFFAOYSA-N 2 1 278.444 2.389 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533100 372021099 /nfs/dbraw/zinc/02/10/99/372021099.db2.gz MGYVXEZAEYAUOJ-UHFFFAOYSA-N 3 1 278.444 2.389 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533100 372021108 /nfs/dbraw/zinc/02/11/08/372021108.db2.gz MGYVXEZAEYAUOJ-UHFFFAOYSA-N 3 1 278.444 2.389 20 0 CEADMP CN(CC1CC1)C(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531919 372022497 /nfs/dbraw/zinc/02/24/97/372022497.db2.gz SPASNGSPTDPVPS-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc[nH]c(=O)c1 ZINC000640533414 372023724 /nfs/dbraw/zinc/02/37/24/372023724.db2.gz IDWNSYPLJBNGNJ-UHFFFAOYSA-N 2 1 277.412 2.485 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccncc1 ZINC000361767288 372061103 /nfs/dbraw/zinc/06/11/03/372061103.db2.gz WNCPXNSKEAGVPG-MRXNPFEDSA-N 2 1 277.412 2.233 20 0 CEADMP Cc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000266950020 372054249 /nfs/dbraw/zinc/05/42/49/372054249.db2.gz UDXXKFBFKPUWSP-UHFFFAOYSA-N 2 1 275.440 2.064 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c(C)c1 ZINC000268804327 372229728 /nfs/dbraw/zinc/22/97/28/372229728.db2.gz CBCXRSDUWFISGY-CVEARBPZSA-N 2 1 276.424 2.411 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)cc1 ZINC000268807354 372231992 /nfs/dbraw/zinc/23/19/92/372231992.db2.gz FZUVKIKDKRUILS-DOMZBBRYSA-N 2 1 298.390 2.062 20 0 CEADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344274284 217128369 /nfs/dbraw/zinc/12/83/69/217128369.db2.gz BAJINALYXLXDQJ-LSDHHAIUSA-N 2 1 266.429 2.432 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1C)CC2 ZINC000268825919 372243187 /nfs/dbraw/zinc/24/31/87/372243187.db2.gz QSEDQPMPWPZEBQ-MRXNPFEDSA-N 2 1 271.364 2.477 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC000362230478 372277225 /nfs/dbraw/zinc/27/72/25/372277225.db2.gz NTICCNUEPJIJCN-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000362230478 372277232 /nfs/dbraw/zinc/27/72/32/372277232.db2.gz NTICCNUEPJIJCN-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000362230478 372277237 /nfs/dbraw/zinc/27/72/37/372277237.db2.gz NTICCNUEPJIJCN-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1cccnc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000362338723 372319674 /nfs/dbraw/zinc/31/96/74/372319674.db2.gz CIPVCJCXMOXVIX-VYDXJSESSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cccnc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000362338723 372319683 /nfs/dbraw/zinc/31/96/83/372319683.db2.gz CIPVCJCXMOXVIX-VYDXJSESSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cccnc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000362338723 372319693 /nfs/dbraw/zinc/31/96/93/372319693.db2.gz CIPVCJCXMOXVIX-VYDXJSESSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cccnc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000362338723 372319696 /nfs/dbraw/zinc/31/96/96/372319696.db2.gz CIPVCJCXMOXVIX-VYDXJSESSA-N 2 1 271.408 2.306 20 0 CEADMP CO[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000269107722 372343493 /nfs/dbraw/zinc/34/34/93/372343493.db2.gz VGTMIGOTJFMPIO-OLZOCXBDSA-N 2 1 292.427 2.075 20 0 CEADMP c1cn2c(cccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000362652277 372472908 /nfs/dbraw/zinc/47/29/08/372472908.db2.gz DAICDNBNSBQNHT-ZIAGYGMSSA-N 2 1 270.380 2.051 20 0 CEADMP c1cn2c(cccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000362652277 372472914 /nfs/dbraw/zinc/47/29/14/372472914.db2.gz DAICDNBNSBQNHT-ZIAGYGMSSA-N 2 1 270.380 2.051 20 0 CEADMP CC(C)(C)OCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414438 372636595 /nfs/dbraw/zinc/63/65/95/372636595.db2.gz NGUCVWHTTVWCOA-RBSFLKMASA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)(C)OCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414438 372636601 /nfs/dbraw/zinc/63/66/01/372636601.db2.gz NGUCVWHTTVWCOA-RBSFLKMASA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)(C)OCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414438 372636605 /nfs/dbraw/zinc/63/66/05/372636605.db2.gz NGUCVWHTTVWCOA-RBSFLKMASA-N 2 1 266.429 2.218 20 0 CEADMP Cn1nccc1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000364056020 372655986 /nfs/dbraw/zinc/65/59/86/372655986.db2.gz OYMZDSFGVOFJCM-INIZCTEOSA-N 2 1 290.455 2.161 20 0 CEADMP Cn1nccc1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000364056020 372655992 /nfs/dbraw/zinc/65/59/92/372655992.db2.gz OYMZDSFGVOFJCM-INIZCTEOSA-N 2 1 290.455 2.161 20 0 CEADMP Cn1nccc1CC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000364056021 372656926 /nfs/dbraw/zinc/65/69/26/372656926.db2.gz OYMZDSFGVOFJCM-MRXNPFEDSA-N 2 1 290.455 2.161 20 0 CEADMP Cn1nccc1CC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000364056021 372656933 /nfs/dbraw/zinc/65/69/33/372656933.db2.gz OYMZDSFGVOFJCM-MRXNPFEDSA-N 2 1 290.455 2.161 20 0 CEADMP C[NH+](C)[C@@H]1C[C@H](Nc2[nH+]cnc3[nH]ccc32)C1(C)C ZINC000641648539 372605421 /nfs/dbraw/zinc/60/54/21/372605421.db2.gz LPWSHWQNZYWIGF-WDEREUQCSA-N 2 1 259.357 2.099 20 0 CEADMP Nc1cnccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000641751014 372686550 /nfs/dbraw/zinc/68/65/50/372686550.db2.gz SEWRNLPOCWTTJG-INIZCTEOSA-N 2 1 296.418 2.276 20 0 CEADMP Nc1cnccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000641751014 372686560 /nfs/dbraw/zinc/68/65/60/372686560.db2.gz SEWRNLPOCWTTJG-INIZCTEOSA-N 2 1 296.418 2.276 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cccc(C)c1C ZINC000641773684 372717589 /nfs/dbraw/zinc/71/75/89/372717589.db2.gz ZGLNTUIJQCIJMU-KRWDZBQOSA-N 2 1 278.440 2.486 20 0 CEADMP CCc1ccc(C[NH2+][C@@H](CO)CC[NH+](CC)CC)cc1 ZINC000641772819 372715946 /nfs/dbraw/zinc/71/59/46/372715946.db2.gz SQSWUAPDFWDGAO-QGZVFWFLSA-N 2 1 278.440 2.431 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc(C)cc(C)c1 ZINC000641772340 372716238 /nfs/dbraw/zinc/71/62/38/372716238.db2.gz PEFWTFRXRJRTMI-QGZVFWFLSA-N 2 1 278.440 2.486 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000641799331 372740486 /nfs/dbraw/zinc/74/04/86/372740486.db2.gz UXWZPEHOMANCJT-GXSJLCMTSA-N 2 1 284.306 2.177 20 0 CEADMP CC[C@@](C)(O)C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000364591954 372762469 /nfs/dbraw/zinc/76/24/69/372762469.db2.gz PNPNGXMAQABHGI-MRXNPFEDSA-N 2 1 277.412 2.427 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)o1 ZINC000641796653 372735336 /nfs/dbraw/zinc/73/53/36/372735336.db2.gz GMNBXIFJOKBZKG-CMPLNLGQSA-N 2 1 251.374 2.105 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)o1 ZINC000641796653 372735339 /nfs/dbraw/zinc/73/53/39/372735339.db2.gz GMNBXIFJOKBZKG-CMPLNLGQSA-N 2 1 251.374 2.105 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)CC[C@@H]1[NH3+] ZINC000641797186 372735478 /nfs/dbraw/zinc/73/54/78/372735478.db2.gz XCBWZMWERAPREL-ONGXEEELSA-N 2 1 284.306 2.177 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)CC[C@@H]1[NH3+] ZINC000641797186 372735486 /nfs/dbraw/zinc/73/54/86/372735486.db2.gz XCBWZMWERAPREL-ONGXEEELSA-N 2 1 284.306 2.177 20 0 CEADMP CCCc1nc(C)c(C[N@H+](C)CC(C)(C)C[NH3+])o1 ZINC000641796628 372736672 /nfs/dbraw/zinc/73/66/72/372736672.db2.gz FAJNDOKJGXJDHZ-UHFFFAOYSA-N 2 1 253.390 2.352 20 0 CEADMP CCCc1nc(C)c(C[N@@H+](C)CC(C)(C)C[NH3+])o1 ZINC000641796628 372736674 /nfs/dbraw/zinc/73/66/74/372736674.db2.gz FAJNDOKJGXJDHZ-UHFFFAOYSA-N 2 1 253.390 2.352 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000246965151 284346084 /nfs/dbraw/zinc/34/60/84/284346084.db2.gz PTOGDNUSRQKVBO-FZKCQIBNSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000246965151 284346085 /nfs/dbraw/zinc/34/60/85/284346085.db2.gz PTOGDNUSRQKVBO-FZKCQIBNSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000246965151 284346088 /nfs/dbraw/zinc/34/60/88/284346088.db2.gz PTOGDNUSRQKVBO-FZKCQIBNSA-N 2 1 295.471 2.048 20 0 CEADMP c1n[nH]c2c1CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000333268009 205168854 /nfs/dbraw/zinc/16/88/54/205168854.db2.gz JXCJWVNQIXEWSO-YHUYYLMFSA-N 2 1 288.439 2.167 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2cccnc2)CC[N@H+]1C ZINC000344639953 217258543 /nfs/dbraw/zinc/25/85/43/217258543.db2.gz ZEIIGLXJNRHMNX-CJNGLKHVSA-N 2 1 299.422 2.054 20 0 CEADMP COCCCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000365549010 372890078 /nfs/dbraw/zinc/89/00/78/372890078.db2.gz QQBZJFFLCLXGTB-OWCLPIDISA-N 2 1 266.429 2.219 20 0 CEADMP COCCCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365549010 372890082 /nfs/dbraw/zinc/89/00/82/372890082.db2.gz QQBZJFFLCLXGTB-OWCLPIDISA-N 2 1 266.429 2.219 20 0 CEADMP COCCCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365549010 372890085 /nfs/dbraw/zinc/89/00/85/372890085.db2.gz QQBZJFFLCLXGTB-OWCLPIDISA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)[NH+](CCCN[C@H]1C[N@@H+](C)C[C@@H]1C)C(C)C ZINC000344713102 217285140 /nfs/dbraw/zinc/28/51/40/217285140.db2.gz PTXRLIXAEXAYSC-GJZGRUSLSA-N 2 1 255.450 2.035 20 0 CEADMP C(C[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1)[C@H]1CC[NH2+]C1 ZINC000643057488 372939044 /nfs/dbraw/zinc/93/90/44/372939044.db2.gz ARDKBBXIAMVEAU-OCCSQVGLSA-N 2 1 290.411 2.474 20 0 CEADMP C(C[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1)[C@H]1CC[NH2+]C1 ZINC000643057488 372939049 /nfs/dbraw/zinc/93/90/49/372939049.db2.gz ARDKBBXIAMVEAU-OCCSQVGLSA-N 2 1 290.411 2.474 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC000344742419 217295245 /nfs/dbraw/zinc/29/52/45/217295245.db2.gz ZEGYCRFJKPOJAT-UHFFFAOYSA-N 2 1 297.487 2.299 20 0 CEADMP CCCC[NH+](C)CC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC000344742419 217295246 /nfs/dbraw/zinc/29/52/46/217295246.db2.gz ZEGYCRFJKPOJAT-UHFFFAOYSA-N 2 1 297.487 2.299 20 0 CEADMP CCCC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC000344742419 217295247 /nfs/dbraw/zinc/29/52/47/217295247.db2.gz ZEGYCRFJKPOJAT-UHFFFAOYSA-N 2 1 297.487 2.299 20 0 CEADMP Fc1ccc2c(c1)[C@H](NC[C@H]1C[N@H+]3CCC[C@@H]3CO1)CC2 ZINC000366232581 373012049 /nfs/dbraw/zinc/01/20/49/373012049.db2.gz HWEXVZOVZFXUSS-HLLBOEOZSA-N 2 1 290.382 2.266 20 0 CEADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CN3CCC[C@@H]3CO1)CC2 ZINC000366232581 373012054 /nfs/dbraw/zinc/01/20/54/373012054.db2.gz HWEXVZOVZFXUSS-HLLBOEOZSA-N 2 1 290.382 2.266 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000353537752 220145088 /nfs/dbraw/zinc/14/50/88/220145088.db2.gz QYBVMFMCMUJDMJ-AWEZNQCLSA-N 2 1 264.417 2.126 20 0 CEADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)[C@H]2CCCO[C@H]21 ZINC000366732998 373115531 /nfs/dbraw/zinc/11/55/31/373115531.db2.gz YYCHCNWBKKULCP-SJXGUFTOSA-N 2 1 289.423 2.239 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000367451576 373153833 /nfs/dbraw/zinc/15/38/33/373153833.db2.gz RILXXYIPFIGHOH-HUUCEWRRSA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000367451576 373153842 /nfs/dbraw/zinc/15/38/42/373153842.db2.gz RILXXYIPFIGHOH-HUUCEWRRSA-N 2 1 263.385 2.225 20 0 CEADMP c1cncc([C@H]2CCC[C@@H]([NH2+]CC[NH2+]C3CC3)C2)c1 ZINC000643507577 373170081 /nfs/dbraw/zinc/17/00/81/373170081.db2.gz JAEZBCMFWXADPC-XJKSGUPXSA-N 2 1 259.397 2.449 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000643462999 373132496 /nfs/dbraw/zinc/13/24/96/373132496.db2.gz YJMYWDFWBUVJHT-KYOSRNDESA-N 2 1 295.377 2.274 20 0 CEADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCC12CCOCC2)C1CCCCC1 ZINC000643511476 373170622 /nfs/dbraw/zinc/17/06/22/373170622.db2.gz ZCKIEADEILZOMW-HUUCEWRRSA-N 2 1 266.429 2.443 20 0 CEADMP C[C@H]([NH2+]CC1(CO)CCCCC1)c1c[nH+]ccc1N ZINC000643466303 373134907 /nfs/dbraw/zinc/13/49/07/373134907.db2.gz XTKAKDBYAJAAKT-LBPRGKRZSA-N 2 1 263.385 2.088 20 0 CEADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000353576006 220167730 /nfs/dbraw/zinc/16/77/30/220167730.db2.gz GOSFSLVOFNXJTE-FMKPAKJESA-N 2 1 289.423 2.066 20 0 CEADMP Fc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)c2ncc[nH]2)cc1 ZINC000643520447 373176005 /nfs/dbraw/zinc/17/60/05/373176005.db2.gz JHYWJZWGMQESDO-HNNXBMFYSA-N 2 1 286.354 2.148 20 0 CEADMP C1C[C@@H]([C@H]2CCCC[NH2+]2)[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000643523091 373177999 /nfs/dbraw/zinc/17/79/99/373177999.db2.gz WRAQPZMQZGMSRF-QXSJWSMHSA-N 2 1 265.445 2.029 20 0 CEADMP COCCC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(F)cc1 ZINC000643527884 373185637 /nfs/dbraw/zinc/18/56/37/373185637.db2.gz UPWMJWLISJTTLU-RISCZKNCSA-N 2 1 254.349 2.230 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2Br ZINC000643527786 373185670 /nfs/dbraw/zinc/18/56/70/373185670.db2.gz SOUCQWUFTSZPCO-UFBFGSQYSA-N 2 1 269.186 2.373 20 0 CEADMP COC[C@@]1(C[NH2+][C@@H](C)Cc2cccs2)CCC[NH2+]1 ZINC000643531762 373189892 /nfs/dbraw/zinc/18/98/92/373189892.db2.gz GWKONBRZDJOUQM-JSGCOSHPSA-N 2 1 268.426 2.037 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545996 373202546 /nfs/dbraw/zinc/20/25/46/373202546.db2.gz GXDLCVSNRIHVAD-GXTWGEPZSA-N 2 1 274.412 2.062 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000344952376 217367558 /nfs/dbraw/zinc/36/75/58/217367558.db2.gz SFZFMCALQRHZEI-BZUAXINKSA-N 2 1 295.471 2.096 20 0 CEADMP c1cc2c(nc[nH+]c2N2CCC([NH2+]C3CCCC3)CC2)[nH]1 ZINC000369170857 373351089 /nfs/dbraw/zinc/35/10/89/373351089.db2.gz DFLUOROPNGSXPC-UHFFFAOYSA-N 2 1 285.395 2.459 20 0 CEADMP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@@]2(CCCOC2)O1 ZINC000369531338 373446423 /nfs/dbraw/zinc/44/64/23/373446423.db2.gz KNMGKWFNFPWKKN-GVDBMIGSSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@]2(CCCOC2)O1 ZINC000369531338 373446426 /nfs/dbraw/zinc/44/64/26/373446426.db2.gz KNMGKWFNFPWKKN-GVDBMIGSSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@]2(CCCOC2)O1 ZINC000369531338 373446428 /nfs/dbraw/zinc/44/64/28/373446428.db2.gz KNMGKWFNFPWKKN-GVDBMIGSSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@]2(CCCOC2)O1 ZINC000369531338 373446431 /nfs/dbraw/zinc/44/64/31/373446431.db2.gz KNMGKWFNFPWKKN-GVDBMIGSSA-N 2 1 296.455 2.131 20 0 CEADMP CCSCC[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000369623217 373472187 /nfs/dbraw/zinc/47/21/87/373472187.db2.gz SQGOADJHPMRSLE-UHFFFAOYSA-N 2 1 286.485 2.315 20 0 CEADMP CC(C)CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000644531354 373515909 /nfs/dbraw/zinc/51/59/09/373515909.db2.gz NQWDBSOJYBVUMV-HOTGVXAUSA-N 2 1 270.461 2.494 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CC1(C)C ZINC000644565846 373535977 /nfs/dbraw/zinc/53/59/77/373535977.db2.gz HOGYKQFPUZNQAX-HOTGVXAUSA-N 2 1 276.424 2.115 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CC1(C)C ZINC000644565846 373535987 /nfs/dbraw/zinc/53/59/87/373535987.db2.gz HOGYKQFPUZNQAX-HOTGVXAUSA-N 2 1 276.424 2.115 20 0 CEADMP O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000644552208 373526444 /nfs/dbraw/zinc/52/64/44/373526444.db2.gz HFXVUPQWRIDPTI-MROQNXINSA-N 2 1 292.345 2.049 20 0 CEADMP c1cc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)nc2[nH]1 ZINC000353633398 220208823 /nfs/dbraw/zinc/20/88/23/220208823.db2.gz XKJRDGUYMOASBV-UKRRQHHQSA-N 2 1 270.380 2.279 20 0 CEADMP c1cc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)nc2[nH]1 ZINC000353633398 220208827 /nfs/dbraw/zinc/20/88/27/220208827.db2.gz XKJRDGUYMOASBV-UKRRQHHQSA-N 2 1 270.380 2.279 20 0 CEADMP CC/C=C/C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644657912 373586179 /nfs/dbraw/zinc/58/61/79/373586179.db2.gz IQWFLFBWYLBWDK-YCOJEUHLSA-N 2 1 262.397 2.035 20 0 CEADMP CC/C=C/C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644657912 373586185 /nfs/dbraw/zinc/58/61/85/373586185.db2.gz IQWFLFBWYLBWDK-YCOJEUHLSA-N 2 1 262.397 2.035 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCCC1CC1 ZINC000644571172 373537767 /nfs/dbraw/zinc/53/77/67/373537767.db2.gz ZXSLQPXORFXUIF-QGZVFWFLSA-N 2 1 276.424 2.259 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCCC1CC1 ZINC000644571172 373537769 /nfs/dbraw/zinc/53/77/69/373537769.db2.gz ZXSLQPXORFXUIF-QGZVFWFLSA-N 2 1 276.424 2.259 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000272536896 373540357 /nfs/dbraw/zinc/54/03/57/373540357.db2.gz PMPLLSPQURLIQG-GFCCVEGCSA-N 2 1 281.400 2.292 20 0 CEADMP c1cc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)nc2[nH]1 ZINC000353633397 220209925 /nfs/dbraw/zinc/20/99/25/220209925.db2.gz XKJRDGUYMOASBV-HIFRSBDPSA-N 2 1 270.380 2.279 20 0 CEADMP c1cc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)nc2[nH]1 ZINC000353633397 220209930 /nfs/dbraw/zinc/20/99/30/220209930.db2.gz XKJRDGUYMOASBV-HIFRSBDPSA-N 2 1 270.380 2.279 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Cn2ccnc2C)[C@@H](C)C1 ZINC000247185192 220219860 /nfs/dbraw/zinc/21/98/60/220219860.db2.gz ZLMRHYPJYSYUBI-DZKIICNBSA-N 2 1 278.444 2.148 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000247185192 220219863 /nfs/dbraw/zinc/21/98/63/220219863.db2.gz ZLMRHYPJYSYUBI-DZKIICNBSA-N 3 1 278.444 2.148 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000247185192 220219868 /nfs/dbraw/zinc/21/98/68/220219868.db2.gz ZLMRHYPJYSYUBI-DZKIICNBSA-N 3 1 278.444 2.148 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(-n2ccnc2)c1 ZINC000370653655 373706224 /nfs/dbraw/zinc/70/62/24/373706224.db2.gz TWXXMYBAKVHEAW-IJEWVQPXSA-N 2 1 299.422 2.086 20 0 CEADMP CCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000371265360 373826017 /nfs/dbraw/zinc/82/60/17/373826017.db2.gz ZJXKAWFFPYZOHV-DZGCQCFKSA-N 2 1 281.444 2.027 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)n1 ZINC000371448846 373886310 /nfs/dbraw/zinc/88/63/10/373886310.db2.gz DCIWPDLYDAVTLH-GALLPEHLSA-N 2 1 292.427 2.477 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)n1 ZINC000371448846 373886317 /nfs/dbraw/zinc/88/63/17/373886317.db2.gz DCIWPDLYDAVTLH-GALLPEHLSA-N 2 1 292.427 2.477 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)n1 ZINC000371448847 373887593 /nfs/dbraw/zinc/88/75/93/373887593.db2.gz DCIWPDLYDAVTLH-LLGZUXRYSA-N 2 1 292.427 2.477 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)n1 ZINC000371448847 373887598 /nfs/dbraw/zinc/88/75/98/373887598.db2.gz DCIWPDLYDAVTLH-LLGZUXRYSA-N 2 1 292.427 2.477 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000371337131 373846509 /nfs/dbraw/zinc/84/65/09/373846509.db2.gz SJXDEWPKZHZUSS-MSOLQXFVSA-N 2 1 291.483 2.443 20 0 CEADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000371723638 373960200 /nfs/dbraw/zinc/96/02/00/373960200.db2.gz MDNIHDBCDJOBLH-DLBZAZTESA-N 2 1 284.407 2.203 20 0 CEADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000371723638 373960205 /nfs/dbraw/zinc/96/02/05/373960205.db2.gz MDNIHDBCDJOBLH-DLBZAZTESA-N 2 1 284.407 2.203 20 0 CEADMP C[N@H+](Cc1cnc[nH]1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000371898589 374000799 /nfs/dbraw/zinc/00/07/99/374000799.db2.gz GBHJETZBZILQIH-UHFFFAOYSA-N 2 1 285.395 2.153 20 0 CEADMP C[N@@H+](Cc1c[nH]cn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000371898589 374000804 /nfs/dbraw/zinc/00/08/04/374000804.db2.gz GBHJETZBZILQIH-UHFFFAOYSA-N 2 1 285.395 2.153 20 0 CEADMP C[N@H+](Cc1c[nH]cn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000371898589 374000809 /nfs/dbraw/zinc/00/08/09/374000809.db2.gz GBHJETZBZILQIH-UHFFFAOYSA-N 2 1 285.395 2.153 20 0 CEADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372066311 374036040 /nfs/dbraw/zinc/03/60/40/374036040.db2.gz YHUXQEHZZBDGFH-HZSPNIEDSA-N 2 1 286.485 2.359 20 0 CEADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000372066311 374036048 /nfs/dbraw/zinc/03/60/48/374036048.db2.gz YHUXQEHZZBDGFH-HZSPNIEDSA-N 2 1 286.485 2.359 20 0 CEADMP CN(C[C@@H](O)c1ccccc1Cl)C[C@@H]1CC[N@@H+](C)C1 ZINC000275563239 374218352 /nfs/dbraw/zinc/21/83/52/374218352.db2.gz WSYGRKIXCSKZCM-IUODEOHRSA-N 2 1 282.815 2.257 20 0 CEADMP C[NH+](C[C@@H](O)c1ccccc1Cl)C[C@@H]1CC[N@H+](C)C1 ZINC000275563239 374218373 /nfs/dbraw/zinc/21/83/73/374218373.db2.gz WSYGRKIXCSKZCM-IUODEOHRSA-N 2 1 282.815 2.257 20 0 CEADMP C[NH+](C[C@@H](O)c1ccccc1Cl)C[C@@H]1CC[N@@H+](C)C1 ZINC000275563239 374218378 /nfs/dbraw/zinc/21/83/78/374218378.db2.gz WSYGRKIXCSKZCM-IUODEOHRSA-N 2 1 282.815 2.257 20 0 CEADMP C[C@H](NCc1ccccc1-n1ccnc1)c1ccc(=O)[nH]n1 ZINC000373342877 374331511 /nfs/dbraw/zinc/33/15/11/374331511.db2.gz DYHZZCZRYWXCQB-LBPRGKRZSA-N 2 1 295.346 2.219 20 0 CEADMP COc1cccc2c1CC[C@@H]([NH2+]CCn1cc[nH+]c1C)C2 ZINC000276973758 374365965 /nfs/dbraw/zinc/36/59/65/374365965.db2.gz CMBXHHJTZLOKOK-OAHLLOKOSA-N 2 1 285.391 2.347 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(F)nc2)CC1 ZINC000373699030 374406580 /nfs/dbraw/zinc/40/65/80/374406580.db2.gz WQLYJBSALGOWJL-UHFFFAOYSA-N 2 1 263.360 2.281 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(F)nc2)CC1 ZINC000373699030 374406586 /nfs/dbraw/zinc/40/65/86/374406586.db2.gz WQLYJBSALGOWJL-UHFFFAOYSA-N 2 1 263.360 2.281 20 0 CEADMP CCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000373981140 374461005 /nfs/dbraw/zinc/46/10/05/374461005.db2.gz MXQBFGBHSFAGGA-OKILXGFUSA-N 2 1 254.418 2.218 20 0 CEADMP Cn1nccc1C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374284874 374531951 /nfs/dbraw/zinc/53/19/51/374531951.db2.gz WJBYQDQKDQQKME-CQSZACIVSA-N 2 1 288.439 2.116 20 0 CEADMP Cn1cc(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)cn1 ZINC000374311351 374540155 /nfs/dbraw/zinc/54/01/55/374540155.db2.gz OULHAYSVFPBKIB-HNNXBMFYSA-N 2 1 288.439 2.116 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000375892369 374689633 /nfs/dbraw/zinc/68/96/33/374689633.db2.gz YMJLZHZHOYKCDG-XHSDSOJGSA-N 3 1 279.472 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)[C@@H]2CCC[C@@H]21 ZINC000375892369 374689638 /nfs/dbraw/zinc/68/96/38/374689638.db2.gz YMJLZHZHOYKCDG-XHSDSOJGSA-N 2 1 279.472 2.181 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1c2ccccc2CC[C@H]1CO ZINC000377012808 374773834 /nfs/dbraw/zinc/77/38/34/374773834.db2.gz LMIRCMLTLGOLHB-WMZOPIPTSA-N 2 1 299.418 2.467 20 0 CEADMP Cc1ccncc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000684379054 541987628 /nfs/dbraw/zinc/98/76/28/541987628.db2.gz UQAZQBBYAKXVCU-KRWDZBQOSA-N 2 1 289.423 2.123 20 0 CEADMP Cc1ccncc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000279928215 375034537 /nfs/dbraw/zinc/03/45/37/375034537.db2.gz MZEQWMCGTWPKEP-IYBDPMFKSA-N 2 1 291.439 2.369 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C1CCCC1 ZINC000378369370 375083445 /nfs/dbraw/zinc/08/34/45/375083445.db2.gz JEHINPPDHLTMPG-RBSFLKMASA-N 2 1 252.402 2.113 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1NC1CC[NH+](CC)CC1 ZINC000280138564 375104477 /nfs/dbraw/zinc/10/44/77/375104477.db2.gz YTYHSFGTYMHMFN-UHFFFAOYSA-N 2 1 277.368 2.155 20 0 CEADMP CC(C)[NH2+]CC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379667975 375155569 /nfs/dbraw/zinc/15/55/69/375155569.db2.gz CMERWAIPPNDUOZ-HNNXBMFYSA-N 2 1 291.439 2.011 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CC)(CC)CC1 ZINC000381403089 375174771 /nfs/dbraw/zinc/17/47/71/375174771.db2.gz WVNOAGUWOUMCQK-CQSZACIVSA-N 2 1 256.434 2.201 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000382908523 375195750 /nfs/dbraw/zinc/19/57/50/375195750.db2.gz WCTAJTYTUJUJLM-KGLIPLIRSA-N 2 1 268.445 2.248 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000386139972 375253483 /nfs/dbraw/zinc/25/34/83/375253483.db2.gz NITLTMOYURHCIY-QLFBSQMISA-N 2 1 256.434 2.103 20 0 CEADMP CO[C@H](C)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280513881 375227945 /nfs/dbraw/zinc/22/79/45/375227945.db2.gz RMYSWHRQSYIXJH-OIISXLGYSA-N 2 1 274.408 2.085 20 0 CEADMP CO[C@H](C)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280513881 375227951 /nfs/dbraw/zinc/22/79/51/375227951.db2.gz RMYSWHRQSYIXJH-OIISXLGYSA-N 2 1 274.408 2.085 20 0 CEADMP CO[C@H](C)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280513881 375227957 /nfs/dbraw/zinc/22/79/57/375227957.db2.gz RMYSWHRQSYIXJH-OIISXLGYSA-N 2 1 274.408 2.085 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCC(F)(F)C1)C2 ZINC000385203708 375229379 /nfs/dbraw/zinc/22/93/79/375229379.db2.gz VADBBOQMWQTUKX-AGIUHOORSA-N 2 1 258.356 2.483 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H](C)O ZINC000386716160 375266251 /nfs/dbraw/zinc/26/62/51/375266251.db2.gz QUQCNXGPDISYCD-PBHICJAKSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@@H](C[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1)C(C)(C)C ZINC000399736669 375367593 /nfs/dbraw/zinc/36/75/93/375367593.db2.gz OGUPNZNBINPYQB-JTQLQIEISA-N 2 1 268.405 2.377 20 0 CEADMP C[C@@H](C[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1)C(C)(C)C ZINC000399736669 375367597 /nfs/dbraw/zinc/36/75/97/375367597.db2.gz OGUPNZNBINPYQB-JTQLQIEISA-N 2 1 268.405 2.377 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]Cc2ccccc2Cl)CC1(C)C ZINC000282331708 375458132 /nfs/dbraw/zinc/45/81/32/375458132.db2.gz LQQMIOFLUCGOPF-UHFFFAOYSA-N 2 1 295.858 2.456 20 0 CEADMP Cc1cccc(C)c1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282232038 375433705 /nfs/dbraw/zinc/43/37/05/375433705.db2.gz FOQUZWVYVHKNHJ-UHFFFAOYSA-N 2 1 289.467 2.419 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Cl)cc2)CC1(C)C ZINC000282287574 375448956 /nfs/dbraw/zinc/44/89/56/375448956.db2.gz IQMCBATXUKFEOK-UHFFFAOYSA-N 2 1 295.858 2.456 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000414172332 375801000 /nfs/dbraw/zinc/80/10/00/375801000.db2.gz DWVYZPPXACNYPF-KLHDSHLOSA-N 2 1 278.440 2.266 20 0 CEADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000414213357 375802014 /nfs/dbraw/zinc/80/20/14/375802014.db2.gz ULKQQKYXJWXVDG-XQLPTFJDSA-N 2 1 254.418 2.121 20 0 CEADMP COc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc(OC)c1O ZINC000414666262 375907657 /nfs/dbraw/zinc/90/76/57/375907657.db2.gz WNRCJCDGZHFUIL-CYBMUJFWSA-N 2 1 296.411 2.215 20 0 CEADMP COc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc(OC)c1O ZINC000414666262 375907665 /nfs/dbraw/zinc/90/76/65/375907665.db2.gz WNRCJCDGZHFUIL-CYBMUJFWSA-N 2 1 296.411 2.215 20 0 CEADMP COc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc(OC)c1O ZINC000414666265 375908013 /nfs/dbraw/zinc/90/80/13/375908013.db2.gz WNRCJCDGZHFUIL-ZDUSSCGKSA-N 2 1 296.411 2.215 20 0 CEADMP COc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc(OC)c1O ZINC000414666265 375908018 /nfs/dbraw/zinc/90/80/18/375908018.db2.gz WNRCJCDGZHFUIL-ZDUSSCGKSA-N 2 1 296.411 2.215 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1O ZINC000414777261 375963610 /nfs/dbraw/zinc/96/36/10/375963610.db2.gz HWGAVHKFKIMDCB-GJZGRUSLSA-N 2 1 290.407 2.222 20 0 CEADMP COc1ccc2oc(C[NH2+]C3CC[NH2+]CC3)cc2c1 ZINC000414786328 375969084 /nfs/dbraw/zinc/96/90/84/375969084.db2.gz KGTVKULOAPROKX-UHFFFAOYSA-N 2 1 260.337 2.283 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]([NH3+])C(C)C)o1 ZINC000414790884 375973275 /nfs/dbraw/zinc/97/32/75/375973275.db2.gz HDGOPFGMLOKGJK-GFCCVEGCSA-N 2 1 262.357 2.051 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC1CC[NH2+]CC1 ZINC000414795242 375976977 /nfs/dbraw/zinc/97/69/77/375976977.db2.gz WVJNBUARGKNBBI-UHFFFAOYSA-N 2 1 289.467 2.486 20 0 CEADMP COC(=O)c1cc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)oc1C ZINC000414682163 375915804 /nfs/dbraw/zinc/91/58/04/375915804.db2.gz QVTIBRVAXASOBI-DGCLKSJQSA-N 2 1 294.395 2.195 20 0 CEADMP CC(C)(C)[NH2+]CCN1CCC[N@H+](C2CCCC2)CC1 ZINC000414688635 375918978 /nfs/dbraw/zinc/91/89/78/375918978.db2.gz DKHQSABOWBVSGN-UHFFFAOYSA-N 2 1 267.461 2.325 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCCN(c3nccs3)CC2)CC[NH2+]1 ZINC000414699455 375926176 /nfs/dbraw/zinc/92/61/76/375926176.db2.gz YQANXWHAXXTESG-KBPBESRZSA-N 2 1 294.468 2.043 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)CC[NH2+]1 ZINC000414715471 375936500 /nfs/dbraw/zinc/93/65/00/375936500.db2.gz WYMOIWFYMWSULT-JJXSEGSLSA-N 2 1 276.428 2.154 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCOC[C@H]2c2ccccc2)CC[NH2+]1 ZINC000414733106 375942837 /nfs/dbraw/zinc/94/28/37/375942837.db2.gz CMRDEUIHCIIGKG-VYDXJSESSA-N 2 1 274.408 2.448 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414816364 376001069 /nfs/dbraw/zinc/00/10/69/376001069.db2.gz PPUIAAMDOGSYLV-ZDUSSCGKSA-N 2 1 260.385 2.180 20 0 CEADMP CCN(C)c1ccc(C[NH2+]CC([NH3+])(CC)CC)cn1 ZINC000414814645 376001591 /nfs/dbraw/zinc/00/15/91/376001591.db2.gz VTXWLZYDJMJBFP-UHFFFAOYSA-N 2 1 264.417 2.145 20 0 CEADMP c1nn(Cc2ccccc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414818072 376004896 /nfs/dbraw/zinc/00/48/96/376004896.db2.gz UPOPSCWAQZWQIN-JWTNVVGKSA-N 2 1 296.418 2.304 20 0 CEADMP C[C@H](C[NH3+])CN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414882302 376011451 /nfs/dbraw/zinc/01/14/51/376011451.db2.gz TYAUSSSZGCEKAO-YCPHGPKFSA-N 2 1 261.413 2.006 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414882302 376011454 /nfs/dbraw/zinc/01/14/54/376011454.db2.gz TYAUSSSZGCEKAO-YCPHGPKFSA-N 2 1 261.413 2.006 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2[NH2+]CCCC2(C)C)[C@@H](C)C1 ZINC000414930614 376013238 /nfs/dbraw/zinc/01/32/38/376013238.db2.gz QDOLTEUITDONBG-KKUMJFAQSA-N 2 1 267.461 2.085 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000414802067 375986661 /nfs/dbraw/zinc/98/66/61/375986661.db2.gz JXHLRQSCOYQQNR-UHFFFAOYSA-N 2 1 258.369 2.212 20 0 CEADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261778390 296239065 /nfs/dbraw/zinc/23/90/65/296239065.db2.gz PFHUKFMULREIRJ-KBPBESRZSA-N 2 1 293.842 2.381 20 0 CEADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc2c[nH+]cn2c1 ZINC000287116925 376154849 /nfs/dbraw/zinc/15/48/49/376154849.db2.gz PJGOYUZAGBNRNZ-INIZCTEOSA-N 2 1 298.390 2.081 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCN1Cc1cn2cc(C)ccc2n1 ZINC000556955385 376524061 /nfs/dbraw/zinc/52/40/61/376524061.db2.gz SRYOWWBAGIUDGA-OAHLLOKOSA-N 2 1 272.396 2.169 20 0 CEADMP Cc1ccc2ncc(CN[C@H](C)C[N@@H+](C)C(C)C)n2c1 ZINC000289883437 376544324 /nfs/dbraw/zinc/54/43/24/376544324.db2.gz SCMQNOCRZCZJJB-CQSZACIVSA-N 2 1 274.412 2.461 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@H](C)CN(C)C(C)C)n2c1 ZINC000289883437 376544329 /nfs/dbraw/zinc/54/43/29/376544329.db2.gz SCMQNOCRZCZJJB-CQSZACIVSA-N 2 1 274.412 2.461 20 0 CEADMP Cn1cncc1CC[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000289966069 376579360 /nfs/dbraw/zinc/57/93/60/376579360.db2.gz IWHJKVSATZNZMI-UHFFFAOYSA-N 2 1 265.307 2.373 20 0 CEADMP CC[C@](C)([NH2+]CCc1c[nH+]cn1C)c1nccs1 ZINC000290048280 376618110 /nfs/dbraw/zinc/61/81/10/376618110.db2.gz OMTJHMUZVGYACI-ZDUSSCGKSA-N 2 1 264.398 2.334 20 0 CEADMP COc1cncc(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000290094319 376641257 /nfs/dbraw/zinc/64/12/57/376641257.db2.gz XFWWPLBTBFKZLX-UHFFFAOYSA-N 2 1 274.368 2.117 20 0 CEADMP COc1cncc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000290094319 376641258 /nfs/dbraw/zinc/64/12/58/376641258.db2.gz XFWWPLBTBFKZLX-UHFFFAOYSA-N 2 1 274.368 2.117 20 0 CEADMP c1ccc2c(c1)C[C@@H](C[NH2+]C1CC[NH+](C3CC3)CC1)O2 ZINC000312804608 376729582 /nfs/dbraw/zinc/72/95/82/376729582.db2.gz BDATXKXQKPKAPH-INIZCTEOSA-N 2 1 272.392 2.207 20 0 CEADMP c1ccc(OCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000311864963 376691104 /nfs/dbraw/zinc/69/11/04/376691104.db2.gz KVYQNWZHIMEOQJ-HOCLYGCPSA-N 2 1 260.381 2.139 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cn2ccccc2n1 ZINC000559920628 376699229 /nfs/dbraw/zinc/69/92/29/376699229.db2.gz DJQKKLWLZNCFBR-CYBMUJFWSA-N 2 1 270.380 2.247 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000290249404 376703988 /nfs/dbraw/zinc/70/39/88/376703988.db2.gz JTXVBNMJPPGQFY-IXYNUQLISA-N 2 1 274.408 2.481 20 0 CEADMP CCc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)on1 ZINC000560525566 376759260 /nfs/dbraw/zinc/75/92/60/376759260.db2.gz QISFKXHIOHIWMB-RBSFLKMASA-N 2 1 263.385 2.199 20 0 CEADMP CCc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)on1 ZINC000560525566 376759268 /nfs/dbraw/zinc/75/92/68/376759268.db2.gz QISFKXHIOHIWMB-RBSFLKMASA-N 2 1 263.385 2.199 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)c1ncc[nH]1)c1ccccc1 ZINC000560698765 376776604 /nfs/dbraw/zinc/77/66/04/376776604.db2.gz VBGKCMKNZBGSRQ-TZMCWYRMSA-N 2 1 286.379 2.280 20 0 CEADMP CCN(C)[C@@H](C(=O)N[C@H](C)c1ncc[nH]1)c1ccccc1 ZINC000560698765 376776610 /nfs/dbraw/zinc/77/66/10/376776610.db2.gz VBGKCMKNZBGSRQ-TZMCWYRMSA-N 2 1 286.379 2.280 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000290440303 376778592 /nfs/dbraw/zinc/77/85/92/376778592.db2.gz LTQGKPHFHIJECK-CXAGYDPISA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290440303 376778619 /nfs/dbraw/zinc/77/86/19/376778619.db2.gz LTQGKPHFHIJECK-CXAGYDPISA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290440303 376778622 /nfs/dbraw/zinc/77/86/22/376778622.db2.gz LTQGKPHFHIJECK-CXAGYDPISA-N 2 1 289.423 2.417 20 0 CEADMP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)C2)c(C[NH+](C)C)c1 ZINC000561247613 376804989 /nfs/dbraw/zinc/80/49/89/376804989.db2.gz VJDAZZSJTVHPGD-AWEZNQCLSA-N 2 1 289.423 2.337 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)ncn2C ZINC000290544450 376826986 /nfs/dbraw/zinc/82/69/86/376826986.db2.gz RKSVTOSUMASTFR-CJNGLKHVSA-N 2 1 286.423 2.345 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)ncn2C ZINC000290544450 376826991 /nfs/dbraw/zinc/82/69/91/376826991.db2.gz RKSVTOSUMASTFR-CJNGLKHVSA-N 2 1 286.423 2.345 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)ncn2C ZINC000290544450 376826995 /nfs/dbraw/zinc/82/69/95/376826995.db2.gz RKSVTOSUMASTFR-CJNGLKHVSA-N 2 1 286.423 2.345 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)ncn2C ZINC000290544450 376827001 /nfs/dbraw/zinc/82/70/01/376827001.db2.gz RKSVTOSUMASTFR-CJNGLKHVSA-N 2 1 286.423 2.345 20 0 CEADMP Cc1nc(F)ccc1C[N@@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000290585247 376844183 /nfs/dbraw/zinc/84/41/83/376844183.db2.gz UVWBZBPOEGMVKR-FZMZJTMJSA-N 2 1 265.376 2.301 20 0 CEADMP Cc1nc(F)ccc1C[N@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000290585247 376844186 /nfs/dbraw/zinc/84/41/86/376844186.db2.gz UVWBZBPOEGMVKR-FZMZJTMJSA-N 2 1 265.376 2.301 20 0 CEADMP CC(C)[C@H](CN[C@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000422936918 376864852 /nfs/dbraw/zinc/86/48/52/376864852.db2.gz ITTWXXBRRXDQQG-ROUUACIJSA-N 2 1 287.451 2.021 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422979933 376904089 /nfs/dbraw/zinc/90/40/89/376904089.db2.gz NXNCUMRKJXBRIL-KKUMJFAQSA-N 2 1 256.434 2.294 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C1CC1)C1CCCCC1)C1CC1 ZINC000685561371 542155063 /nfs/dbraw/zinc/15/50/63/542155063.db2.gz CCBYVMSSRPWOFF-MRXNPFEDSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C1CC1)C1CCCCC1)C1CC1 ZINC000685561371 542155067 /nfs/dbraw/zinc/15/50/67/542155067.db2.gz CCBYVMSSRPWOFF-MRXNPFEDSA-N 2 1 266.429 2.239 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422995612 376913256 /nfs/dbraw/zinc/91/32/56/376913256.db2.gz KMLARQHAEGFEPG-GVDBMIGSSA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000423000905 376920065 /nfs/dbraw/zinc/92/00/65/376920065.db2.gz WEJUGMIEGIKAGY-GPANFISMSA-N 3 1 267.461 2.356 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000423000905 376920070 /nfs/dbraw/zinc/92/00/70/376920070.db2.gz WEJUGMIEGIKAGY-GPANFISMSA-N 3 1 267.461 2.356 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000423016878 376932170 /nfs/dbraw/zinc/93/21/70/376932170.db2.gz UXAYTTXXUXMADV-CQSZACIVSA-N 2 1 284.407 2.334 20 0 CEADMP CS[C@H](C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)C(C)(C)C ZINC000423036712 376944049 /nfs/dbraw/zinc/94/40/49/376944049.db2.gz UQLLIYTYWQWVCP-RWMBFGLXSA-N 2 1 274.474 2.121 20 0 CEADMP COc1cc(C)ccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000562653577 376956975 /nfs/dbraw/zinc/95/69/75/376956975.db2.gz DZSGKFFLPTXNPZ-CQSZACIVSA-N 2 1 262.397 2.435 20 0 CEADMP COc1cc(C)ccc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000562653577 376956985 /nfs/dbraw/zinc/95/69/85/376956985.db2.gz DZSGKFFLPTXNPZ-CQSZACIVSA-N 2 1 262.397 2.435 20 0 CEADMP C[C@@H](O)[C@@](C)(C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423069694 376962236 /nfs/dbraw/zinc/96/22/36/376962236.db2.gz FCTXIBHKUUZABJ-BURFUSLBSA-N 2 1 290.451 2.346 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+](C1CC1)C1CCCCC1)C1CC1 ZINC000685561371 542155053 /nfs/dbraw/zinc/15/50/53/542155053.db2.gz CCBYVMSSRPWOFF-MRXNPFEDSA-N 2 1 266.429 2.239 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+](C1CC1)C1CCCCC1)C1CC1 ZINC000685561371 542155059 /nfs/dbraw/zinc/15/50/59/542155059.db2.gz CCBYVMSSRPWOFF-MRXNPFEDSA-N 2 1 266.429 2.239 20 0 CEADMP C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1c[nH+]ccc1N ZINC000423123068 377020843 /nfs/dbraw/zinc/02/08/43/377020843.db2.gz LYBDNBRIOUEZJA-RYUDHWBXSA-N 2 1 269.348 2.321 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[NH2+]CC[C@H]1C ZINC000423132162 377029774 /nfs/dbraw/zinc/02/97/74/377029774.db2.gz BRSYJQMDISQING-ILXRZTDVSA-N 2 1 255.450 2.085 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423141792 377039012 /nfs/dbraw/zinc/03/90/12/377039012.db2.gz RVGXRZGHRKWFPJ-ILXRZTDVSA-N 2 1 255.450 2.227 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423089915 376982899 /nfs/dbraw/zinc/98/28/99/376982899.db2.gz WFINYCVHHLHWEC-CRAIPNDOSA-N 2 1 287.451 2.491 20 0 CEADMP FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423096766 376990785 /nfs/dbraw/zinc/99/07/85/376990785.db2.gz PTKHRQLCAHXMJO-IGQOVBAYSA-N 2 1 288.382 2.169 20 0 CEADMP FC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCC1 ZINC000423111202 377006453 /nfs/dbraw/zinc/00/64/53/377006453.db2.gz QGKPOFBGSFGIAE-MJBXVCDLSA-N 2 1 270.392 2.015 20 0 CEADMP C[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423200741 377115536 /nfs/dbraw/zinc/11/55/36/377115536.db2.gz MZJIHSBNVPXKQC-NVXWUHKLSA-N 3 1 275.440 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423200741 377115540 /nfs/dbraw/zinc/11/55/40/377115540.db2.gz MZJIHSBNVPXKQC-NVXWUHKLSA-N 3 1 275.440 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423200741 377115542 /nfs/dbraw/zinc/11/55/42/377115542.db2.gz MZJIHSBNVPXKQC-NVXWUHKLSA-N 3 1 275.440 2.096 20 0 CEADMP C[C@@H](CCc1c(F)cccc1F)[NH2+][C@H]1CC[NH2+]C1 ZINC000423205587 377122226 /nfs/dbraw/zinc/12/22/26/377122226.db2.gz CCRKFEHHSSLIFK-QWRGUYRKSA-N 2 1 254.324 2.237 20 0 CEADMP C1C[C@@]2(CS1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000423155185 377056631 /nfs/dbraw/zinc/05/66/31/377056631.db2.gz KPMIDJPLFZBODD-IXXDHKBRSA-N 2 1 266.454 2.489 20 0 CEADMP COc1cccc2c1C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C2 ZINC000423166772 377072116 /nfs/dbraw/zinc/07/21/16/377072116.db2.gz DECXAUHXJICPNL-NOLJZWGESA-N 2 1 274.408 2.283 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423169860 377076771 /nfs/dbraw/zinc/07/67/71/377076771.db2.gz WREAQXIZFVQXHW-ARFHVFGLSA-N 2 1 279.472 2.371 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@H]3CCNC3=O)C1)CCCC2 ZINC000330285797 377083476 /nfs/dbraw/zinc/08/34/76/377083476.db2.gz ACMKUBATBJBUOM-WFASDCNBSA-N 2 1 288.395 2.046 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@H]3CCNC3=O)C1)CCCC2 ZINC000330285797 377083481 /nfs/dbraw/zinc/08/34/81/377083481.db2.gz ACMKUBATBJBUOM-WFASDCNBSA-N 2 1 288.395 2.046 20 0 CEADMP Cc1c([C@H](C)[NH2+]C2CC[NH2+]CC2)cnn1C(C)C ZINC000423176400 377087588 /nfs/dbraw/zinc/08/75/88/377087588.db2.gz CBEPBKUCKNANND-NSHDSACASA-N 2 1 250.390 2.175 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)C12CCC2 ZINC000563109195 377097860 /nfs/dbraw/zinc/09/78/60/377097860.db2.gz DZWRIJFWZNJNSZ-RBSFLKMASA-N 2 1 266.429 2.408 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CC2)C12CCCC2 ZINC000423269303 377190126 /nfs/dbraw/zinc/19/01/26/377190126.db2.gz FHOXKDRROMSYJQ-HZSPNIEDSA-N 2 1 252.402 2.051 20 0 CEADMP C[N@@H+](CCNC(=O)C[NH+]1CCC(C)(C)C1)C1CCCCC1 ZINC000563373078 377191662 /nfs/dbraw/zinc/19/16/62/377191662.db2.gz DRBHCHBPGPNMDT-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](CCNC(=O)C[N@@H+]1CCC(C)(C)C1)C1CCCCC1 ZINC000563373078 377191671 /nfs/dbraw/zinc/19/16/71/377191671.db2.gz DRBHCHBPGPNMDT-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](CCNC(=O)C[N@H+]1CCC(C)(C)C1)C1CCCCC1 ZINC000563373078 377191685 /nfs/dbraw/zinc/19/16/85/377191685.db2.gz DRBHCHBPGPNMDT-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423272056 377192832 /nfs/dbraw/zinc/19/28/32/377192832.db2.gz JPQQJKHKEBLTQU-LZLYRXPVSA-N 2 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423272056 377192841 /nfs/dbraw/zinc/19/28/41/377192841.db2.gz JPQQJKHKEBLTQU-LZLYRXPVSA-N 3 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423272056 377192846 /nfs/dbraw/zinc/19/28/46/377192846.db2.gz JPQQJKHKEBLTQU-LZLYRXPVSA-N 3 1 289.467 2.342 20 0 CEADMP c1ccc(C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2cccnc2)nc1 ZINC000423213275 377129335 /nfs/dbraw/zinc/12/93/35/377129335.db2.gz NFXFGUICNPERPI-MAUKXSAKSA-N 2 1 296.418 2.350 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423215371 377132266 /nfs/dbraw/zinc/13/22/66/377132266.db2.gz QNCLPJFUKRPLMG-WCQYABFASA-N 2 1 251.349 2.261 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]([NH3+])c1ccccc1 ZINC000423239532 377156491 /nfs/dbraw/zinc/15/64/91/377156491.db2.gz BHFHDTPGDHPJNR-SJCJKPOMSA-N 2 1 284.407 2.199 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc(OC)c1OC ZINC000423260423 377178598 /nfs/dbraw/zinc/17/85/98/377178598.db2.gz HKARTXBDIMECBA-WCQYABFASA-N 2 1 296.411 2.346 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C[NH3+])C1CC1)CCC2 ZINC000423264592 377182010 /nfs/dbraw/zinc/18/20/10/377182010.db2.gz AGYHRMNDLBFJSW-CVEARBPZSA-N 2 1 260.381 2.400 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000423267059 377184873 /nfs/dbraw/zinc/18/48/73/377184873.db2.gz DRUJRLYLTRZPIK-ZFWWWQNUSA-N 2 1 277.412 2.367 20 0 CEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(-n2cccn2)cc1 ZINC000423267635 377187601 /nfs/dbraw/zinc/18/76/01/377187601.db2.gz CZLAIWCKWPGVIV-MLGOLLRUSA-N 2 1 270.380 2.260 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000423282744 377210227 /nfs/dbraw/zinc/21/02/27/377210227.db2.gz WXCNKILNTMKFML-SMDDNHRTSA-N 2 1 253.365 2.363 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c(C)n1 ZINC000423336407 377267205 /nfs/dbraw/zinc/26/72/05/377267205.db2.gz SOTFQNLFXPBERT-XHDPSFHLSA-N 2 1 262.401 2.134 20 0 CEADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423315448 377244883 /nfs/dbraw/zinc/24/48/83/377244883.db2.gz IRXPYMHZPAOWNR-HZPDHXFCSA-N 2 1 260.381 2.400 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423323082 377254547 /nfs/dbraw/zinc/25/45/47/377254547.db2.gz JKSAEKCHTXIIAK-TYNCELHUSA-N 2 1 266.360 2.230 20 0 CEADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)s1 ZINC000423325099 377258487 /nfs/dbraw/zinc/25/84/87/377258487.db2.gz PZZNNSVAHJPVIJ-BXKDBHETSA-N 2 1 283.441 2.028 20 0 CEADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)s1 ZINC000423277364 377202069 /nfs/dbraw/zinc/20/20/69/377202069.db2.gz PKMQMHKTVSOQOM-ZYHUDNBSSA-N 2 1 285.457 2.274 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000423277924 377203102 /nfs/dbraw/zinc/20/31/02/377203102.db2.gz QMWXAEZIRJSRTK-BXUZGUMPSA-N 2 1 266.360 2.485 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)CCO4)C2)C1 ZINC000292897986 377339161 /nfs/dbraw/zinc/33/91/61/377339161.db2.gz ZQTBDJLJJKHSHB-KRWDZBQOSA-N 2 1 272.392 2.149 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)CCO4)C2)C1 ZINC000292897986 377339166 /nfs/dbraw/zinc/33/91/66/377339166.db2.gz ZQTBDJLJJKHSHB-KRWDZBQOSA-N 2 1 272.392 2.149 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)CCO4)C2)C1 ZINC000292897986 377339174 /nfs/dbraw/zinc/33/91/74/377339174.db2.gz ZQTBDJLJJKHSHB-KRWDZBQOSA-N 2 1 272.392 2.149 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4c(c3)CCO4)C2)C1 ZINC000292897986 377339178 /nfs/dbraw/zinc/33/91/78/377339178.db2.gz ZQTBDJLJJKHSHB-KRWDZBQOSA-N 2 1 272.392 2.149 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000564465717 377395237 /nfs/dbraw/zinc/39/52/37/377395237.db2.gz SEXNSJWHBZWUTF-YPMHNXCESA-N 2 1 286.366 2.270 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2cnn(C)c2)s1 ZINC000564667170 377428069 /nfs/dbraw/zinc/42/80/69/377428069.db2.gz SJEAEWBMYCMTEQ-AAEUAGOBSA-N 2 1 290.436 2.460 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC000332079681 377511936 /nfs/dbraw/zinc/51/19/36/377511936.db2.gz INPCLDXJWMFTSX-UHFFFAOYSA-N 2 1 290.367 2.103 20 0 CEADMP C[C@H](CNC(=O)C1([NH3+])CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000430760163 377549998 /nfs/dbraw/zinc/54/99/98/377549998.db2.gz ILEAFFQZAKYUCU-UONOGXRCSA-N 2 1 281.444 2.027 20 0 CEADMP CC[N@@H+](CCc1cccs1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431072898 377594031 /nfs/dbraw/zinc/59/40/31/377594031.db2.gz HABQCLPGONBLFZ-UHFFFAOYSA-N 2 1 294.424 2.390 20 0 CEADMP C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000135302355 249317732 /nfs/dbraw/zinc/31/77/32/249317732.db2.gz ODVVXYZHNUMITG-MAUKXSAKSA-N 2 1 288.435 2.461 20 0 CEADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166710246 542210897 /nfs/dbraw/zinc/21/08/97/542210897.db2.gz FUTQKCCXWQRSFT-VBNZEHGJSA-N 2 1 290.455 2.184 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)CC[N@@H+]1C ZINC000293651408 377679292 /nfs/dbraw/zinc/67/92/92/377679292.db2.gz LIDRWZCTLXQRLM-RBSFLKMASA-N 2 1 291.414 2.477 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)CC[N@H+]1C ZINC000293651408 377679298 /nfs/dbraw/zinc/67/92/98/377679298.db2.gz LIDRWZCTLXQRLM-RBSFLKMASA-N 2 1 291.414 2.477 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(CC(C)C)CC1 ZINC000565665308 377684010 /nfs/dbraw/zinc/68/40/10/377684010.db2.gz JYWYRDWTLLCAQL-HNNXBMFYSA-N 2 1 270.461 2.447 20 0 CEADMP CC(C)[NH2+]CCCN[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000566088423 377721545 /nfs/dbraw/zinc/72/15/45/377721545.db2.gz NFJDBEACNNRDMH-WMZOPIPTSA-N 2 1 289.467 2.485 20 0 CEADMP CC(C)[NH2+]CCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000566088423 377721549 /nfs/dbraw/zinc/72/15/49/377721549.db2.gz NFJDBEACNNRDMH-WMZOPIPTSA-N 2 1 289.467 2.485 20 0 CEADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c(C)n2n1 ZINC000293734185 377729429 /nfs/dbraw/zinc/72/94/29/377729429.db2.gz QFYGBDNAHBUZMF-YPMHNXCESA-N 2 1 289.427 2.194 20 0 CEADMP C[C@H]1SCC[N@@H+](CCCc2cncn2C)[C@@H]1C ZINC000566922593 377783522 /nfs/dbraw/zinc/78/35/22/377783522.db2.gz TXZPIPQNJCDEEL-VXGBXAGGSA-N 2 1 253.415 2.179 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC(C)(C)C(C)C)CC1 ZINC000437076079 377836774 /nfs/dbraw/zinc/83/67/74/377836774.db2.gz UOQNVFWKOIKSQN-UHFFFAOYSA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000437776173 377862392 /nfs/dbraw/zinc/86/23/92/377862392.db2.gz OXOXYXVRYHWAGB-HOTGVXAUSA-N 2 1 268.445 2.371 20 0 CEADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]CC[C@H]1CCOC1)C2 ZINC000438068047 377879155 /nfs/dbraw/zinc/87/91/55/377879155.db2.gz XLEJFBJBYADDGH-INIZCTEOSA-N 2 1 288.435 2.451 20 0 CEADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]CC[C@H]1CCOC1)C2 ZINC000438068047 377879159 /nfs/dbraw/zinc/87/91/59/377879159.db2.gz XLEJFBJBYADDGH-INIZCTEOSA-N 2 1 288.435 2.451 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000294143325 377917935 /nfs/dbraw/zinc/91/79/35/377917935.db2.gz HOUYBALEEJYYBV-GFCCVEGCSA-N 2 1 259.353 2.118 20 0 CEADMP CCC(C)(C)CC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000441466790 377945959 /nfs/dbraw/zinc/94/59/59/377945959.db2.gz NWTKCMYAJOHTMP-OAHLLOKOSA-N 2 1 268.445 2.467 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000442927963 378018977 /nfs/dbraw/zinc/01/89/77/378018977.db2.gz OVJFLOYJQLBCEI-CYBMUJFWSA-N 2 1 290.436 2.495 20 0 CEADMP C[C@@H]([NH3+])CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000442657216 377977191 /nfs/dbraw/zinc/97/71/91/377977191.db2.gz GYIVFDFKNPJTGO-CYBMUJFWSA-N 2 1 281.831 2.195 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1-n1cncn1 ZINC000442925776 378019872 /nfs/dbraw/zinc/01/98/72/378019872.db2.gz WTCKKSXOZOLMNL-HNNXBMFYSA-N 2 1 299.422 2.137 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(=O)NC ZINC000449771436 378228412 /nfs/dbraw/zinc/22/84/12/378228412.db2.gz GXWMNSQYJVLFGC-BMFZPTHFSA-N 2 1 295.471 2.144 20 0 CEADMP CCOCC[N@H+]1CCN(c2cc[nH+]c(CC)c2)C[C@@H]1C ZINC000450310775 378350443 /nfs/dbraw/zinc/35/04/43/378350443.db2.gz FIPLVRQJJNHMOY-AWEZNQCLSA-N 2 1 277.412 2.191 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000450458599 378429128 /nfs/dbraw/zinc/42/91/28/378429128.db2.gz YLLVFDGYQSYSBJ-AWEZNQCLSA-N 2 1 290.398 2.464 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000450632575 378509979 /nfs/dbraw/zinc/50/99/79/378509979.db2.gz PZOBJFRQTFMUDF-PMPSAXMXSA-N 2 1 267.461 2.131 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000450926868 378646486 /nfs/dbraw/zinc/64/64/86/378646486.db2.gz ADHDXBGKJQAJMO-INIZCTEOSA-N 2 1 295.471 2.096 20 0 CEADMP CC1CC[NH+](CCN2CC[N@H+](C3CC3)C[C@H](C)C2)CC1 ZINC000451089703 378705537 /nfs/dbraw/zinc/70/55/37/378705537.db2.gz FLEYHFRWZQPMTM-MRXNPFEDSA-N 2 1 279.472 2.134 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000298390368 378714189 /nfs/dbraw/zinc/71/41/89/378714189.db2.gz LLKRQDLMQXVKKG-INIZCTEOSA-N 2 1 273.380 2.066 20 0 CEADMP CCC[N@H+]1CC[C@@H](CN[C@H](C)c2nccn2CC)C1 ZINC000453104583 378804668 /nfs/dbraw/zinc/80/46/68/378804668.db2.gz ZOEIUWMIYRVZIW-KGLIPLIRSA-N 2 1 264.417 2.286 20 0 CEADMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000346825035 218024390 /nfs/dbraw/zinc/02/43/90/218024390.db2.gz AEHOQLAZNIKHEW-CFVMTHIKSA-N 2 1 275.396 2.040 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1cnccn1 ZINC000453163866 378820859 /nfs/dbraw/zinc/82/08/59/378820859.db2.gz DKWQTRSXDICPCJ-GOEBONIOSA-N 2 1 276.428 2.118 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1cnccn1 ZINC000453163866 378820864 /nfs/dbraw/zinc/82/08/64/378820864.db2.gz DKWQTRSXDICPCJ-GOEBONIOSA-N 2 1 276.428 2.118 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346838909 218030562 /nfs/dbraw/zinc/03/05/62/218030562.db2.gz RYELDJBKDCSJMJ-IMJJTQAJSA-N 2 1 290.455 2.424 20 0 CEADMP COCC[N@H+](CCCOc1ccc(F)cc1)CC(C)(C)[NH3+] ZINC000346838822 218030825 /nfs/dbraw/zinc/03/08/25/218030825.db2.gz ROZPTENRDMQFHX-UHFFFAOYSA-N 2 1 298.402 2.280 20 0 CEADMP COCC[N@@H+](CCCOc1ccc(F)cc1)CC(C)(C)[NH3+] ZINC000346838822 218030827 /nfs/dbraw/zinc/03/08/27/218030827.db2.gz ROZPTENRDMQFHX-UHFFFAOYSA-N 2 1 298.402 2.280 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@H]12 ZINC000346851798 218036528 /nfs/dbraw/zinc/03/65/28/218036528.db2.gz QYVXBRRRDFWYOJ-BHYGNILZSA-N 2 1 282.391 2.041 20 0 CEADMP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000453341917 378867964 /nfs/dbraw/zinc/86/79/64/378867964.db2.gz HOGJDDOFAMOKCD-UYTSQGDYSA-N 2 1 266.429 2.406 20 0 CEADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000453386736 378881222 /nfs/dbraw/zinc/88/12/22/378881222.db2.gz PCWBLJYVIUDHSA-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453409525 378892071 /nfs/dbraw/zinc/89/20/71/378892071.db2.gz UNWSJGIKWJMKHL-AWEZNQCLSA-N 2 1 264.417 2.126 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000453424315 378899645 /nfs/dbraw/zinc/89/96/45/378899645.db2.gz GHOFFBROKHSSRJ-CGTJXYLNSA-N 2 1 290.451 2.279 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000453424315 378899653 /nfs/dbraw/zinc/89/96/53/378899653.db2.gz GHOFFBROKHSSRJ-CGTJXYLNSA-N 2 1 290.451 2.279 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453375550 378878283 /nfs/dbraw/zinc/87/82/83/378878283.db2.gz XWRINJYKXUSWEH-IXIBIKRGSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000347009030 218090362 /nfs/dbraw/zinc/09/03/62/218090362.db2.gz FKXDPOBAJOKBRB-ZBFHGGJFSA-N 2 1 288.439 2.241 20 0 CEADMP Cc1csc(C[NH2+]CCCC[N@H+](C)C2CC2)n1 ZINC000453594359 378916400 /nfs/dbraw/zinc/91/64/00/378916400.db2.gz IFJRNOICYACSIA-UHFFFAOYSA-N 2 1 253.415 2.416 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cccc2c1OCCO2)C1CC1 ZINC000453594411 378916690 /nfs/dbraw/zinc/91/66/90/378916690.db2.gz IMXRFXPCPVFYAO-UHFFFAOYSA-N 2 1 290.407 2.422 20 0 CEADMP CC(C)n1nccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453598659 378916725 /nfs/dbraw/zinc/91/67/25/378916725.db2.gz PYGXSJVINWCZDZ-UHFFFAOYSA-N 2 1 264.417 2.428 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccncc2)C1 ZINC000347034017 218097920 /nfs/dbraw/zinc/09/79/20/218097920.db2.gz FLCLCNBDDCPJBW-ZFWWWQNUSA-N 2 1 299.422 2.041 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000347052135 218106040 /nfs/dbraw/zinc/10/60/40/218106040.db2.gz VFZJBBSWCUTVIH-HUUCEWRRSA-N 2 1 297.487 2.390 20 0 CEADMP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)cnc21 ZINC000347111908 218125674 /nfs/dbraw/zinc/12/56/74/218125674.db2.gz QHQJWKORDIGCCF-ZDUSSCGKSA-N 2 1 287.411 2.183 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H](C[NH3+])C3)cnc21 ZINC000347111908 218125675 /nfs/dbraw/zinc/12/56/75/218125675.db2.gz QHQJWKORDIGCCF-ZDUSSCGKSA-N 2 1 287.411 2.183 20 0 CEADMP CCCn1cc(C[N@H+](CCC)C2CC[NH2+]CC2)cn1 ZINC000347061921 218109926 /nfs/dbraw/zinc/10/99/26/218109926.db2.gz ZFLQWEZDXARMLR-UHFFFAOYSA-N 2 1 264.417 2.257 20 0 CEADMP CCCn1cc(C[N@@H+](CCC)C2CC[NH2+]CC2)cn1 ZINC000347061921 218109927 /nfs/dbraw/zinc/10/99/27/218109927.db2.gz ZFLQWEZDXARMLR-UHFFFAOYSA-N 2 1 264.417 2.257 20 0 CEADMP CC(C)n1ncc2cc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)cnc21 ZINC000347131386 218133226 /nfs/dbraw/zinc/13/32/26/218133226.db2.gz QXONAFKRNUUOAE-DOMZBBRYSA-N 2 1 287.411 2.181 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)cnc21 ZINC000347131386 218133228 /nfs/dbraw/zinc/13/32/28/218133228.db2.gz QXONAFKRNUUOAE-DOMZBBRYSA-N 2 1 287.411 2.181 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CC(OC)C2)c1 ZINC000347319749 218187999 /nfs/dbraw/zinc/18/79/99/218187999.db2.gz OLJVUZSRCLXGCO-UHFFFAOYSA-N 2 1 262.397 2.405 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CC1)C1CC1 ZINC000289472076 197363265 /nfs/dbraw/zinc/36/32/65/197363265.db2.gz HKEZTSPRXTTXLL-IAGOWNOFSA-N 2 1 274.408 2.182 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CC1)C1CC1 ZINC000289472076 197363266 /nfs/dbraw/zinc/36/32/66/197363266.db2.gz HKEZTSPRXTTXLL-IAGOWNOFSA-N 2 1 274.408 2.182 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000513053411 379124833 /nfs/dbraw/zinc/12/48/33/379124833.db2.gz YSAMWZDFBGCQLL-YHUYYLMFSA-N 2 1 296.455 2.428 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000513053411 379124845 /nfs/dbraw/zinc/12/48/45/379124845.db2.gz YSAMWZDFBGCQLL-YHUYYLMFSA-N 2 1 296.455 2.428 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CC[C@H]2CCCCO2)CC1 ZINC000347449545 218239105 /nfs/dbraw/zinc/23/91/05/218239105.db2.gz WYBUGWIYVVFEOR-OAHLLOKOSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CC[C@H]2CCCCO2)CC1 ZINC000347449545 218239107 /nfs/dbraw/zinc/23/91/07/218239107.db2.gz WYBUGWIYVVFEOR-OAHLLOKOSA-N 2 1 254.418 2.362 20 0 CEADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408682 379166930 /nfs/dbraw/zinc/16/69/30/379166930.db2.gz HWACCVUWQMPCSI-KFWWJZLASA-N 2 1 254.418 2.002 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(C)(C)CC ZINC000515068964 379183814 /nfs/dbraw/zinc/18/38/14/379183814.db2.gz QMYNJAQAHAESND-KBPBESRZSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)CC ZINC000515068964 379183824 /nfs/dbraw/zinc/18/38/24/379183824.db2.gz QMYNJAQAHAESND-KBPBESRZSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C(C)(C)CC ZINC000515068964 379183834 /nfs/dbraw/zinc/18/38/34/379183834.db2.gz QMYNJAQAHAESND-KBPBESRZSA-N 2 1 256.434 2.200 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000347526235 218262646 /nfs/dbraw/zinc/26/26/46/218262646.db2.gz NVHHRYIMOGVNBG-KBPBESRZSA-N 2 1 283.460 2.144 20 0 CEADMP Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000278879170 194194667 /nfs/dbraw/zinc/19/46/67/194194667.db2.gz CLBSJUYLCWBETF-KBPBESRZSA-N 2 1 270.380 2.500 20 0 CEADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000516562012 379293142 /nfs/dbraw/zinc/29/31/42/379293142.db2.gz HASJLHOKHBUMJM-DOMZBBRYSA-N 2 1 275.396 2.039 20 0 CEADMP OCC[NH+]1CCC(CNc2cc[nH+]c3ccsc32)CC1 ZINC000301406970 379277938 /nfs/dbraw/zinc/27/79/38/379277938.db2.gz MIBLKHGKBMZLRD-UHFFFAOYSA-N 2 1 291.420 2.413 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCOCC2CCC2)[C@@H](C)C1 ZINC000516696300 379304726 /nfs/dbraw/zinc/30/47/26/379304726.db2.gz VZXZVNYDWYWNPD-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP c1cc(C[NH2+]CCC[NH+]2CCC2)n(C2CCCC2)n1 ZINC000516784540 379312391 /nfs/dbraw/zinc/31/23/91/379312391.db2.gz MMLXWNURFNRDIE-UHFFFAOYSA-N 2 1 262.401 2.184 20 0 CEADMP Cc1ccc2[nH+]ccc(N3CC[N@@H+](CCO)C(C)(C)C3)c2c1 ZINC000302545765 379393364 /nfs/dbraw/zinc/39/33/64/379393364.db2.gz OXNWOTFYVSWEMP-UHFFFAOYSA-N 2 1 299.418 2.436 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@@H]21 ZINC000302381106 379364231 /nfs/dbraw/zinc/36/42/31/379364231.db2.gz IIBNDYCLASYPJX-FVCCEPFGSA-N 2 1 258.356 2.481 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000521643260 379539196 /nfs/dbraw/zinc/53/91/96/379539196.db2.gz AVWSTOAMDQOSGV-ZIAGYGMSSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc2ccccc21 ZINC000304731509 379594134 /nfs/dbraw/zinc/59/41/34/379594134.db2.gz RCSJLHRSFCSDEQ-HIFRSBDPSA-N 2 1 272.392 2.413 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@H]1CC=CCC1 ZINC000305219126 379688283 /nfs/dbraw/zinc/68/82/83/379688283.db2.gz UPHKRMXDTCBYEL-HOTGVXAUSA-N 2 1 266.429 2.169 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(CO)c1 ZINC000305666661 379726331 /nfs/dbraw/zinc/72/63/31/379726331.db2.gz USBCFRLGMHITML-DZGCQCFKSA-N 2 1 274.408 2.314 20 0 CEADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1Cc2ccccc2[C@@H]1O ZINC000305721652 379740943 /nfs/dbraw/zinc/74/09/43/379740943.db2.gz PORDAKVSCWYBDO-NJAFHUGGSA-N 2 1 288.435 2.451 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1Cc2ccccc2[C@@H]1O ZINC000305721652 379740949 /nfs/dbraw/zinc/74/09/49/379740949.db2.gz PORDAKVSCWYBDO-NJAFHUGGSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1Cc2ccccc2[C@@H]1O ZINC000305721652 379740957 /nfs/dbraw/zinc/74/09/57/379740957.db2.gz PORDAKVSCWYBDO-NJAFHUGGSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1Cc2ccccc2[C@@H]1O ZINC000305721652 379740967 /nfs/dbraw/zinc/74/09/67/379740967.db2.gz PORDAKVSCWYBDO-NJAFHUGGSA-N 2 1 288.435 2.451 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267433949 190330347 /nfs/dbraw/zinc/33/03/47/190330347.db2.gz NKCLZBLKYZBRHN-MELADBBJSA-N 2 1 292.427 2.282 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267433949 190330348 /nfs/dbraw/zinc/33/03/48/190330348.db2.gz NKCLZBLKYZBRHN-MELADBBJSA-N 2 1 292.427 2.282 20 0 CEADMP COc1cccnc1NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000527926420 379848963 /nfs/dbraw/zinc/84/89/63/379848963.db2.gz MMGBWGHMKYLQJN-CYBMUJFWSA-N 2 1 263.385 2.480 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H](n2cccn2)C(F)(F)F)CC[N@H+]1C ZINC000527927594 379849019 /nfs/dbraw/zinc/84/90/19/379849019.db2.gz BDDSGIXSMJVXRU-GRYCIOLGSA-N 2 1 290.333 2.059 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](n2cccn2)C(F)(F)F)CCN1C ZINC000527927594 379849028 /nfs/dbraw/zinc/84/90/28/379849028.db2.gz BDDSGIXSMJVXRU-GRYCIOLGSA-N 2 1 290.333 2.059 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](n2cccn2)C(F)(F)F)CC[N@@H+]1C ZINC000527927594 379849034 /nfs/dbraw/zinc/84/90/34/379849034.db2.gz BDDSGIXSMJVXRU-GRYCIOLGSA-N 2 1 290.333 2.059 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](n2cccn2)C(F)(F)F)CC[N@H+]1C ZINC000527927594 379849040 /nfs/dbraw/zinc/84/90/40/379849040.db2.gz BDDSGIXSMJVXRU-GRYCIOLGSA-N 2 1 290.333 2.059 20 0 CEADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000527983956 379865806 /nfs/dbraw/zinc/86/58/06/379865806.db2.gz YDHQCUGLGATIAN-RYPNDVFKSA-N 2 1 252.402 2.016 20 0 CEADMP Cn1c[nH+]cc1CC[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528596449 380027098 /nfs/dbraw/zinc/02/70/98/380027098.db2.gz HRDNPVQUMVYDBB-UHFFFAOYSA-N 2 1 299.422 2.108 20 0 CEADMP Cn1c[nH+]cc1CC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528596449 380027101 /nfs/dbraw/zinc/02/71/01/380027101.db2.gz HRDNPVQUMVYDBB-UHFFFAOYSA-N 2 1 299.422 2.108 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]1C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000333875623 380168987 /nfs/dbraw/zinc/16/89/87/380168987.db2.gz SVSHKRLFQRNLJJ-OCCSQVGLSA-N 2 1 281.787 2.068 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)N(C)CCC[NH+](C)C)c1ccccc1 ZINC000540516888 380253738 /nfs/dbraw/zinc/25/37/38/380253738.db2.gz HJAMKWTUYMKQMY-INIZCTEOSA-N 2 1 291.439 2.090 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC2CC(F)(F)C2)s1 ZINC000491585560 380335715 /nfs/dbraw/zinc/33/57/15/380335715.db2.gz DXHWUQMTYARAQB-UHFFFAOYSA-N 2 1 275.368 2.340 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C[NH+](C)C ZINC000491592316 380336245 /nfs/dbraw/zinc/33/62/45/380336245.db2.gz UFQODLGPOUFAGI-ZDUSSCGKSA-N 2 1 290.386 2.299 20 0 CEADMP COc1ccsc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334451392 380430931 /nfs/dbraw/zinc/43/09/31/380430931.db2.gz VSIMWYGHEJKWSA-CQSZACIVSA-N 2 1 266.410 2.332 20 0 CEADMP COc1ccsc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334451392 380430933 /nfs/dbraw/zinc/43/09/33/380430933.db2.gz VSIMWYGHEJKWSA-CQSZACIVSA-N 2 1 266.410 2.332 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000581380460 322392665 /nfs/dbraw/zinc/39/26/65/322392665.db2.gz UZBJCJMWXXNGHN-LJISPDSOSA-N 2 1 253.434 2.109 20 0 CEADMP C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000581380460 322392669 /nfs/dbraw/zinc/39/26/69/322392669.db2.gz UZBJCJMWXXNGHN-LJISPDSOSA-N 2 1 253.434 2.109 20 0 CEADMP C[NH+](C)C1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000334970378 207390372 /nfs/dbraw/zinc/39/03/72/207390372.db2.gz XPIIXFOQMOXKOE-UHFFFAOYSA-N 2 1 258.369 2.270 20 0 CEADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000335293774 208124477 /nfs/dbraw/zinc/12/44/77/208124477.db2.gz OJDGPBNYTRWDTM-OAHLLOKOSA-N 2 1 276.428 2.190 20 0 CEADMP CN(CCC[N@@H+](C)Cc1ccccc1F)CC[NH+](C)C ZINC000289351288 197307199 /nfs/dbraw/zinc/30/71/99/197307199.db2.gz GDKOVWCQCCYTFM-UHFFFAOYSA-N 2 1 281.419 2.141 20 0 CEADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[NH+](C)C ZINC000289302673 197290708 /nfs/dbraw/zinc/29/07/08/197290708.db2.gz SIHUJTCXUOEFEV-CYBMUJFWSA-N 2 1 266.360 2.363 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1F ZINC000401842764 533170027 /nfs/dbraw/zinc/17/00/27/533170027.db2.gz OUQAIPBOLKSJEL-NSHDSACASA-N 2 1 277.343 2.461 20 0 CEADMP OC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000336605166 285237686 /nfs/dbraw/zinc/23/76/86/285237686.db2.gz ZDLCNYGLYGFNGG-GDBMZVCRSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCC1 ZINC000336605166 285237689 /nfs/dbraw/zinc/23/76/89/285237689.db2.gz ZDLCNYGLYGFNGG-GDBMZVCRSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCC1 ZINC000336605166 285237692 /nfs/dbraw/zinc/23/76/92/285237692.db2.gz ZDLCNYGLYGFNGG-GDBMZVCRSA-N 2 1 278.440 2.240 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337985620 285245451 /nfs/dbraw/zinc/24/54/51/285245451.db2.gz ALEPQMBVSTUTFS-HZPDHXFCSA-N 2 1 266.429 2.002 20 0 CEADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000411894568 533317568 /nfs/dbraw/zinc/31/75/68/533317568.db2.gz RJOIYXWKNJUDNX-CVEARBPZSA-N 2 1 271.364 2.094 20 0 CEADMP COc1cccc(C2(C[NH2+][C@H]3CC[NH2+]C3)CCCC2)c1 ZINC000415089930 533436580 /nfs/dbraw/zinc/43/65/80/533436580.db2.gz ODTRSNQBHVFFPK-HNNXBMFYSA-N 2 1 274.408 2.459 20 0 CEADMP COC(=O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000411470126 533441030 /nfs/dbraw/zinc/44/10/30/533441030.db2.gz BSVPVGGOGFQPDE-GFCCVEGCSA-N 2 1 287.363 2.394 20 0 CEADMP COCCCOc1cccc(C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000237239392 131017391 /nfs/dbraw/zinc/01/73/91/131017391.db2.gz XQENKIDMCAEIPY-UHFFFAOYSA-N 2 1 292.423 2.286 20 0 CEADMP c1cc2c(nc[nH+]c2NCCC[NH+]2CCCCC2)[nH]1 ZINC000263731900 131317812 /nfs/dbraw/zinc/31/78/12/131317812.db2.gz CTGQYWYTRQFBRY-UHFFFAOYSA-N 2 1 259.357 2.246 20 0 CEADMP C[NH+](C)CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000263903114 131357272 /nfs/dbraw/zinc/35/72/72/131357272.db2.gz RTKZHNSXDSDROZ-UHFFFAOYSA-N 2 1 289.423 2.215 20 0 CEADMP c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000335032368 285502636 /nfs/dbraw/zinc/50/26/36/285502636.db2.gz WFQMAHOXRGWYDR-GOEBONIOSA-N 2 1 260.381 2.032 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000300406718 394455527 /nfs/dbraw/zinc/45/55/27/394455527.db2.gz BCMZSWFSYNHXEY-HOCLYGCPSA-N 2 1 291.439 2.313 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc1)C(C)C ZINC000236923034 394489549 /nfs/dbraw/zinc/48/95/49/394489549.db2.gz KYMQESAJUJENAR-AWEZNQCLSA-N 2 1 291.439 2.336 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305743803 394510374 /nfs/dbraw/zinc/51/03/74/394510374.db2.gz UCWYZZVXEGARGH-CHWSQXEVSA-N 2 1 294.361 2.106 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305743803 394510377 /nfs/dbraw/zinc/51/03/77/394510377.db2.gz UCWYZZVXEGARGH-CHWSQXEVSA-N 2 1 294.361 2.106 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000356223991 394564615 /nfs/dbraw/zinc/56/46/15/394564615.db2.gz QGURTSHRVXROJG-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000252512990 394572005 /nfs/dbraw/zinc/57/20/05/394572005.db2.gz GUXFTOSMOVGJJH-BARDWOONSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000252512990 394572007 /nfs/dbraw/zinc/57/20/07/394572007.db2.gz GUXFTOSMOVGJJH-BARDWOONSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C[C@H]1C ZINC000248654680 394545240 /nfs/dbraw/zinc/54/52/40/394545240.db2.gz VIKJJXKXBWDEGU-BRWVUGGUSA-N 2 1 281.488 2.428 20 0 CEADMP c1ccc(CN2CCC[N@H+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000323780957 394549942 /nfs/dbraw/zinc/54/99/42/394549942.db2.gz DGWUBZKNWHNQIW-QGZVFWFLSA-N 2 1 287.451 2.194 20 0 CEADMP CSC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000090113567 394655167 /nfs/dbraw/zinc/65/51/67/394655167.db2.gz OLBOZYQFFNPIER-MGPQQGTHSA-N 2 1 286.485 2.217 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257704478 394596609 /nfs/dbraw/zinc/59/66/09/394596609.db2.gz QVJIAPAXWROPFR-CYBMUJFWSA-N 2 1 251.399 2.027 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257704478 394596611 /nfs/dbraw/zinc/59/66/11/394596611.db2.gz QVJIAPAXWROPFR-CYBMUJFWSA-N 2 1 251.399 2.027 20 0 CEADMP C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)[C@@H]1CCCCO1 ZINC000257747696 394596984 /nfs/dbraw/zinc/59/69/84/394596984.db2.gz ZXOIBBOSZSXSEO-LSDHHAIUSA-N 2 1 252.402 2.021 20 0 CEADMP C[N@@H+](CCC[NH3+])CCc1ccc(Br)cc1 ZINC000258718592 394598330 /nfs/dbraw/zinc/59/83/30/394598330.db2.gz IPYHPJDXCFMYCX-UHFFFAOYSA-N 2 1 271.202 2.272 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334231631 394666791 /nfs/dbraw/zinc/66/67/91/394666791.db2.gz LQTXPPCREBIPJT-INIZCTEOSA-N 2 1 276.428 2.283 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334231631 394666795 /nfs/dbraw/zinc/66/67/95/394666795.db2.gz LQTXPPCREBIPJT-INIZCTEOSA-N 2 1 276.428 2.283 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421826938 394607970 /nfs/dbraw/zinc/60/79/70/394607970.db2.gz VOBTYYLZRFXLRW-OAHLLOKOSA-N 2 1 270.380 2.124 20 0 CEADMP C[C@H](c1ccccc1Cl)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261873631 394608042 /nfs/dbraw/zinc/60/80/42/394608042.db2.gz ZKQQQIVCGYHNHG-ZIAGYGMSSA-N 2 1 293.842 2.381 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H]1CCCOCC1)[NH+]1CCCC1 ZINC000086870161 394644541 /nfs/dbraw/zinc/64/45/41/394644541.db2.gz LAHJMPUPXAJMOR-HUUCEWRRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](CN[C@@H]1C[NH2+]CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000422713316 394733939 /nfs/dbraw/zinc/73/39/39/394733939.db2.gz JKBHADAXCDHMJZ-RVKKMQEKSA-N 2 1 287.451 2.021 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000422736831 394748846 /nfs/dbraw/zinc/74/88/46/394748846.db2.gz GZPVUOQCLXZSRM-CQSZACIVSA-N 3 1 263.429 2.355 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@](C)(OC)C2CC2)CC1 ZINC000414236024 394736694 /nfs/dbraw/zinc/73/66/94/394736694.db2.gz VFHWBVQLHLABBY-WFASDCNBSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]1CCCC[N@@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000335116604 394739877 /nfs/dbraw/zinc/73/98/77/394739877.db2.gz UIXDEEXNOLGTDJ-LBPRGKRZSA-N 2 1 250.390 2.108 20 0 CEADMP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422722858 394739945 /nfs/dbraw/zinc/73/99/45/394739945.db2.gz PXGHLCOTXRSPRU-OKZBNKHCSA-N 3 1 291.483 2.371 20 0 CEADMP CCOC(=O)C[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CCCC1 ZINC000414704085 394749399 /nfs/dbraw/zinc/74/93/99/394749399.db2.gz KFEKDNIRXYFHTD-ZIAGYGMSSA-N 2 1 282.428 2.182 20 0 CEADMP [NH3+]CCOCC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000357027744 394685477 /nfs/dbraw/zinc/68/54/77/394685477.db2.gz KZKRAXJKJPGSMO-UHFFFAOYSA-N 2 1 268.788 2.280 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000268953118 394703957 /nfs/dbraw/zinc/70/39/57/394703957.db2.gz VRBBPWAYJSFQET-XOSAIJSUSA-N 2 1 276.424 2.347 20 0 CEADMP [NH3+]C1(c2noc([C@@H]3CCC[N@H+]3C3CCCC3)n2)CCC1 ZINC000414629985 394746862 /nfs/dbraw/zinc/74/68/62/394746862.db2.gz RXIXSWLBLGURIJ-LBPRGKRZSA-N 2 1 276.384 2.487 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cc12 ZINC000422559631 394710871 /nfs/dbraw/zinc/71/08/71/394710871.db2.gz DNJROHNGDJSVCW-MJVIPROJSA-N 2 1 287.411 2.072 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]CC[N@H+](C)C2CCCC2)cn1 ZINC000414130475 394711185 /nfs/dbraw/zinc/71/11/85/394711185.db2.gz WLULHZJUROWCPT-CQSZACIVSA-N 2 1 291.439 2.485 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)cn1 ZINC000414130475 394711186 /nfs/dbraw/zinc/71/11/86/394711186.db2.gz WLULHZJUROWCPT-CQSZACIVSA-N 2 1 291.439 2.485 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cn1 ZINC000422563820 394712342 /nfs/dbraw/zinc/71/23/42/394712342.db2.gz UNBHKKBDLCEQAG-DZKIICNBSA-N 2 1 278.444 2.344 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCOc3cccc(F)c3C2)CC[NH2+]1 ZINC000334817467 394713062 /nfs/dbraw/zinc/71/30/62/394713062.db2.gz FATYVTDJEGWDRF-STQMWFEESA-N 2 1 278.371 2.408 20 0 CEADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1nccn1C ZINC000414168824 394721425 /nfs/dbraw/zinc/72/14/25/394721425.db2.gz ARYUAZZGPXWUGU-KGLIPLIRSA-N 2 1 264.417 2.193 20 0 CEADMP COc1cccc(OCC[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422642315 394723244 /nfs/dbraw/zinc/72/32/44/394723244.db2.gz ZDZCENOIOWLAHY-ZNMIVQPWSA-N 2 1 292.423 2.379 20 0 CEADMP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(F)c1 ZINC000422737074 394748340 /nfs/dbraw/zinc/74/83/40/394748340.db2.gz XCVLJGZPHFEPBW-FCLJQHQZSA-N 2 1 291.414 2.301 20 0 CEADMP C[C@H](NCC[N@@H+](C)C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000422704171 394728668 /nfs/dbraw/zinc/72/86/68/394728668.db2.gz OSWUWTWDJDSBLX-GOEBONIOSA-N 2 1 267.461 2.371 20 0 CEADMP COc1ccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1F ZINC000422704229 394728901 /nfs/dbraw/zinc/72/89/01/394728901.db2.gz KDAVBNJJXVAZMA-BXUZGUMPSA-N 2 1 266.360 2.107 20 0 CEADMP C[NH2+]CC[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414823596 394753558 /nfs/dbraw/zinc/75/35/58/394753558.db2.gz IKDFBXAMOYCOCG-GFCCVEGCSA-N 2 1 257.381 2.143 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH2+]CC2 ZINC000335275506 394756340 /nfs/dbraw/zinc/75/63/40/394756340.db2.gz BJEBCNXLTPZYBO-NSHDSACASA-N 2 1 251.399 2.107 20 0 CEADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C2 ZINC000271425092 394757051 /nfs/dbraw/zinc/75/70/51/394757051.db2.gz CKDSKLCCJCFKPD-VHDGCEQUSA-N 2 1 290.407 2.071 20 0 CEADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C2 ZINC000271425092 394757055 /nfs/dbraw/zinc/75/70/55/394757055.db2.gz CKDSKLCCJCFKPD-VHDGCEQUSA-N 2 1 290.407 2.071 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422839619 394822564 /nfs/dbraw/zinc/82/25/64/394822564.db2.gz QWSUZCRFWQYOFP-JGGQBBKZSA-N 3 1 290.455 2.372 20 0 CEADMP C[C@H]([NH2+]CCn1cnc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422752783 394759778 /nfs/dbraw/zinc/75/97/78/394759778.db2.gz DCLVSPFVTSCNPO-KBPBESRZSA-N 2 1 272.396 2.157 20 0 CEADMP C[N@H+](CCN[C@@H]1CCCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000422759178 394764235 /nfs/dbraw/zinc/76/42/35/394764235.db2.gz KUYXMTQDNWBGRB-IAGOWNOFSA-N 2 1 275.440 2.368 20 0 CEADMP C[N@@H+](CCN[C@@H]1CCCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000422759178 394764239 /nfs/dbraw/zinc/76/42/39/394764239.db2.gz KUYXMTQDNWBGRB-IAGOWNOFSA-N 2 1 275.440 2.368 20 0 CEADMP C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000414845568 394766703 /nfs/dbraw/zinc/76/67/03/394766703.db2.gz DQBMMQFYQMHFBQ-QAPCUYQASA-N 2 1 298.434 2.409 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414846158 394768371 /nfs/dbraw/zinc/76/83/71/394768371.db2.gz UEEXYHNXGSDSBV-XYJFISCASA-N 2 1 289.467 2.485 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000414846158 394768373 /nfs/dbraw/zinc/76/83/73/394768373.db2.gz UEEXYHNXGSDSBV-XYJFISCASA-N 2 1 289.467 2.485 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414846158 394768375 /nfs/dbraw/zinc/76/83/75/394768375.db2.gz UEEXYHNXGSDSBV-XYJFISCASA-N 3 1 289.467 2.485 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414846158 394768377 /nfs/dbraw/zinc/76/83/77/394768377.db2.gz UEEXYHNXGSDSBV-XYJFISCASA-N 3 1 289.467 2.485 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422769954 394772657 /nfs/dbraw/zinc/77/26/57/394772657.db2.gz VRYNYQVBDIWVSG-LSVZVQIISA-N 2 1 279.472 2.370 20 0 CEADMP COc1ccc(Cl)cc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422773328 394774578 /nfs/dbraw/zinc/77/45/78/394774578.db2.gz YIZVZKBLHQVKNT-VIFPVBQESA-N 2 1 254.761 2.046 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000422777095 394776720 /nfs/dbraw/zinc/77/67/20/394776720.db2.gz FEJBEWXVKBNTGI-OTRWWLKZSA-N 2 1 275.440 2.017 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000422777999 394777330 /nfs/dbraw/zinc/77/73/30/394777330.db2.gz DHMHIAVUGZYFCR-SJLPKXTDSA-N 2 1 289.467 2.486 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000422777999 394777333 /nfs/dbraw/zinc/77/73/33/394777333.db2.gz DHMHIAVUGZYFCR-SJLPKXTDSA-N 3 1 289.467 2.486 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000422777999 394777336 /nfs/dbraw/zinc/77/73/36/394777336.db2.gz DHMHIAVUGZYFCR-SJLPKXTDSA-N 3 1 289.467 2.486 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1O ZINC000414866131 394777986 /nfs/dbraw/zinc/77/79/86/394777986.db2.gz MEXMCCRFRDLFCB-TZMCWYRMSA-N 2 1 278.396 2.064 20 0 CEADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)Oc1ccc(F)cc1 ZINC000422779522 394778368 /nfs/dbraw/zinc/77/83/68/394778368.db2.gz BWOOZUOAXKTFFA-JMSVASOKSA-N 2 1 266.360 2.323 20 0 CEADMP C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)C1C[NH2+]C1 ZINC000422784921 394782671 /nfs/dbraw/zinc/78/26/71/394782671.db2.gz JBZXGNIQSADJTM-OAHLLOKOSA-N 2 1 287.451 2.370 20 0 CEADMP COc1ccc(C)cc1CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422785682 394783944 /nfs/dbraw/zinc/78/39/44/394783944.db2.gz NTMWPHFBFHOYJX-UKRRQHHQSA-N 2 1 262.397 2.134 20 0 CEADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CC[NH2+]C1)CC3 ZINC000335642413 394784693 /nfs/dbraw/zinc/78/46/93/394784693.db2.gz JSZCGQQIYGLCRP-STQMWFEESA-N 2 1 269.392 2.285 20 0 CEADMP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414879816 394785380 /nfs/dbraw/zinc/78/53/80/394785380.db2.gz JHHKPZBTXRTWCA-WCQYABFASA-N 2 1 250.411 2.291 20 0 CEADMP C[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)C1C[NH2+]C1 ZINC000422789020 394787166 /nfs/dbraw/zinc/78/71/66/394787166.db2.gz SVGDMMIRDJVTEJ-KNXALSJPSA-N 2 1 278.371 2.243 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000422790268 394787733 /nfs/dbraw/zinc/78/77/33/394787733.db2.gz XMWNODFCGWHKLZ-FZMZJTMJSA-N 2 1 252.789 2.470 20 0 CEADMP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c(OC)c1 ZINC000422790281 394787997 /nfs/dbraw/zinc/78/79/97/394787997.db2.gz XNIAXFKKFJOONE-CJNGLKHVSA-N 2 1 292.423 2.367 20 0 CEADMP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c(OC)c1 ZINC000422790285 394788145 /nfs/dbraw/zinc/78/81/45/394788145.db2.gz XNIAXFKKFJOONE-XJKSGUPXSA-N 2 1 292.423 2.367 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]([NH3+])C2CC2)C1 ZINC000414887240 394789038 /nfs/dbraw/zinc/78/90/38/394789038.db2.gz IAYMGRMAIGEZQG-XOKHGSTOSA-N 2 1 273.424 2.149 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1c[nH+]ccc1N ZINC000422796768 394793735 /nfs/dbraw/zinc/79/37/35/394793735.db2.gz KMEIAUIYFCGJEU-ZFWWWQNUSA-N 2 1 288.439 2.409 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F)C1CC1 ZINC000414900141 394795553 /nfs/dbraw/zinc/79/55/53/394795553.db2.gz VRIYZVHUNSDYIC-CYBMUJFWSA-N 2 1 292.333 2.182 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NCCC[N@H+]1CCc2ccccc2C1 ZINC000422802516 394797757 /nfs/dbraw/zinc/79/77/57/394797757.db2.gz DLQQSKZCPRJEMB-LSDHHAIUSA-N 2 1 275.440 2.150 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCN1CCc2ccccc2C1 ZINC000422802516 394797761 /nfs/dbraw/zinc/79/77/61/394797761.db2.gz DLQQSKZCPRJEMB-LSDHHAIUSA-N 2 1 275.440 2.150 20 0 CEADMP COc1cc2c(cc1C[NH2+][C@H]1CCC[NH2+]CC1)O[C@H](C)C2 ZINC000414911354 394800601 /nfs/dbraw/zinc/80/06/01/394800601.db2.gz GOVWHBDDWUMSLF-DOMZBBRYSA-N 2 1 290.407 2.250 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414916809 394803099 /nfs/dbraw/zinc/80/30/99/394803099.db2.gz QLMAOCNHOXXICI-HNNXBMFYSA-N 2 1 264.417 2.252 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000422810966 394803266 /nfs/dbraw/zinc/80/32/66/394803266.db2.gz SQIOURMFYHXOIH-MAUKXSAKSA-N 2 1 287.451 2.022 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1(C)CC1 ZINC000361344037 394825149 /nfs/dbraw/zinc/82/51/49/394825149.db2.gz BCDFQYAAFFZROS-ZIAGYGMSSA-N 2 1 254.418 2.002 20 0 CEADMP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000414927830 394807128 /nfs/dbraw/zinc/80/71/28/394807128.db2.gz ACEPJZGOSXHNCF-WCQYABFASA-N 2 1 266.360 2.455 20 0 CEADMP CCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000414927828 394807406 /nfs/dbraw/zinc/80/74/06/394807406.db2.gz ACEPJZGOSXHNCF-AAEUAGOBSA-N 2 1 266.360 2.455 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000414932474 394809741 /nfs/dbraw/zinc/80/97/41/394809741.db2.gz VTXNHYUFDOPAND-UONOGXRCSA-N 2 1 270.380 2.232 20 0 CEADMP C[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000422820780 394811853 /nfs/dbraw/zinc/81/18/53/394811853.db2.gz SFHOKWOCMJKVQN-PBHICJAKSA-N 2 1 284.407 2.145 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000422825456 394813749 /nfs/dbraw/zinc/81/37/49/394813749.db2.gz AKGDJGFBFYHUCZ-ZVZYQTTQSA-N 2 1 287.451 2.019 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)CC[NH2+]1 ZINC000414941914 394814234 /nfs/dbraw/zinc/81/42/34/394814234.db2.gz CVXQEBQTRZZLNA-RISCZKNCSA-N 2 1 271.364 2.171 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCOc1ccccc1 ZINC000414941748 394814280 /nfs/dbraw/zinc/81/42/80/394814280.db2.gz YVGZLTBGBRHJQA-ZBFHGGJFSA-N 2 1 262.397 2.433 20 0 CEADMP COC[C@@]1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CCC[NH2+]1 ZINC000414942887 394814357 /nfs/dbraw/zinc/81/43/57/394814357.db2.gz CHTVLYHKJMWIME-HOTGVXAUSA-N 2 1 294.826 2.165 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422833280 394818330 /nfs/dbraw/zinc/81/83/30/394818330.db2.gz MBYIXTCOQKQQKM-SJORKVTESA-N 2 1 298.434 2.343 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cn1 ZINC000414948716 394818387 /nfs/dbraw/zinc/81/83/87/394818387.db2.gz YUJVRMGZOCIHAH-UHFFFAOYSA-N 2 1 276.428 2.158 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cccnc1 ZINC000422834763 394819096 /nfs/dbraw/zinc/81/90/96/394819096.db2.gz OEQXNWNMHCXEOO-BPUTZDHNSA-N 2 1 261.413 2.409 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000414733153 394749727 /nfs/dbraw/zinc/74/97/27/394749727.db2.gz CQLIDYKRONEJTO-HZPDHXFCSA-N 2 1 267.461 2.024 20 0 CEADMP CC[C@H]([NH2+]CCSCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423027204 394884931 /nfs/dbraw/zinc/88/49/31/394884931.db2.gz QVYHZQYYDJLZJR-UWVGGRQHSA-N 2 1 270.364 2.402 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C[C@H]1OC ZINC000422944117 394867665 /nfs/dbraw/zinc/86/76/65/394867665.db2.gz RQKDNLBWBZHEMZ-AAVRWANBSA-N 2 1 254.418 2.168 20 0 CEADMP COc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1Cl ZINC000422945854 394867879 /nfs/dbraw/zinc/86/78/79/394867879.db2.gz VMAJRVYKKGKLAI-SECBINFHSA-N 2 1 254.761 2.046 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415069021 394873181 /nfs/dbraw/zinc/87/31/81/394873181.db2.gz RZKYDMRZDHHPPC-HNNXBMFYSA-N 2 1 278.444 2.152 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422992740 394876011 /nfs/dbraw/zinc/87/60/11/394876011.db2.gz DJJYZYNLZVVDHY-BZUAXINKSA-N 2 1 267.461 2.085 20 0 CEADMP CO[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000336805803 394876961 /nfs/dbraw/zinc/87/69/61/394876961.db2.gz RBSJPXTUWSGDJN-UKRRQHHQSA-N 2 1 265.401 2.471 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000336805803 394876964 /nfs/dbraw/zinc/87/69/64/394876964.db2.gz RBSJPXTUWSGDJN-UKRRQHHQSA-N 2 1 265.401 2.471 20 0 CEADMP CO[C@@H](C[NH2+]C[C@@H]([NH3+])CC(C)C)c1ccc(F)cc1 ZINC000415084284 394881385 /nfs/dbraw/zinc/88/13/85/394881385.db2.gz ORWRFZQVHMTCSV-GJZGRUSLSA-N 2 1 268.376 2.476 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Br)cc1 ZINC000414972135 394832252 /nfs/dbraw/zinc/83/22/52/394832252.db2.gz AAAXMDUMSDGCFH-LLVKDONJSA-N 2 1 257.175 2.276 20 0 CEADMP C[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)[C@@H]1CCC[NH2+]1 ZINC000422857576 394833099 /nfs/dbraw/zinc/83/30/99/394833099.db2.gz HABOBJPVPQLVIW-YOEHRIQHSA-N 2 1 284.407 2.145 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[N@@H+]1CCCC[C@@H]1C ZINC000422858729 394833562 /nfs/dbraw/zinc/83/35/62/394833562.db2.gz JBRSRHIOVLERLN-UONOGXRCSA-N 2 1 290.455 2.374 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[N@H+]1CCCC[C@@H]1C ZINC000422858729 394833567 /nfs/dbraw/zinc/83/35/67/394833567.db2.gz JBRSRHIOVLERLN-UONOGXRCSA-N 2 1 290.455 2.374 20 0 CEADMP CC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[NH+](CC)CC ZINC000361708168 394835009 /nfs/dbraw/zinc/83/50/09/394835009.db2.gz XUNDEPXZYQRODF-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000422861182 394835207 /nfs/dbraw/zinc/83/52/07/394835207.db2.gz MMVNLHWLZUPVGT-WCVJEAGWSA-N 3 1 267.461 2.356 20 0 CEADMP COCCCOc1cc(C)ccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422868010 394839741 /nfs/dbraw/zinc/83/97/41/394839741.db2.gz UGTNMCMOKXEYCR-CQSZACIVSA-N 2 1 292.423 2.108 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422874822 394842266 /nfs/dbraw/zinc/84/22/66/394842266.db2.gz DIDNJKTWRJJOAO-ARFHVFGLSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422874822 394842270 /nfs/dbraw/zinc/84/22/70/394842270.db2.gz DIDNJKTWRJJOAO-ARFHVFGLSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422874822 394842273 /nfs/dbraw/zinc/84/22/73/394842273.db2.gz DIDNJKTWRJJOAO-ARFHVFGLSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)[C@H](C)[NH3+] ZINC000415006549 394846338 /nfs/dbraw/zinc/84/63/38/394846338.db2.gz KNJZAOWXERRKSS-UONOGXRCSA-N 2 1 285.391 2.486 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422882635 394847812 /nfs/dbraw/zinc/84/78/12/394847812.db2.gz PIAWPPIMUCMPGP-YYIAUSFCSA-N 3 1 281.488 2.462 20 0 CEADMP CC[C@]1(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CCC[NH2+]1 ZINC000128798212 394855637 /nfs/dbraw/zinc/85/56/37/394855637.db2.gz HOLGXNFSLMBTDJ-MRXNPFEDSA-N 2 1 299.378 2.046 20 0 CEADMP CCc1nc(CC[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)cs1 ZINC000422902752 394856180 /nfs/dbraw/zinc/85/61/80/394856180.db2.gz NKRPBYJUAFMJMU-OLZOCXBDSA-N 2 1 267.442 2.368 20 0 CEADMP C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000422910526 394859818 /nfs/dbraw/zinc/85/98/18/394859818.db2.gz QYJBOHVOYTYWKE-INMHGKMJSA-N 2 1 275.440 2.237 20 0 CEADMP COc1cccc(OCCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422915315 394861109 /nfs/dbraw/zinc/86/11/09/394861109.db2.gz ATLXADZTELAZJR-BBRMVZONSA-N 2 1 278.396 2.052 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415091044 394886267 /nfs/dbraw/zinc/88/62/67/394886267.db2.gz YQRWLNWQRXRODS-DJIMGWMZSA-N 2 1 284.407 2.355 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000415092043 394887044 /nfs/dbraw/zinc/88/70/44/394887044.db2.gz RXPNLQGFJQAOBV-JKSUJKDBSA-N 2 1 295.471 2.131 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCCC[NH3+])C[C@@H]1c1ccccc1 ZINC000423322826 394889766 /nfs/dbraw/zinc/88/97/66/394889766.db2.gz ISWSAOPEWKRVND-JKSUJKDBSA-N 3 1 261.413 2.150 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCC[NH3+])C[C@@H]1c1ccccc1 ZINC000423322826 394889769 /nfs/dbraw/zinc/88/97/69/394889769.db2.gz ISWSAOPEWKRVND-JKSUJKDBSA-N 3 1 261.413 2.150 20 0 CEADMP C[N@H+]1CC[C@@H](NCC2([NH3+])CCC2)C[C@H]1c1ccccc1 ZINC000423321904 394889848 /nfs/dbraw/zinc/88/98/48/394889848.db2.gz ICCJHMBFJDMEFJ-CVEARBPZSA-N 2 1 273.424 2.293 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CCOCC1 ZINC000337376740 394889953 /nfs/dbraw/zinc/88/99/53/394889953.db2.gz HBLLWSWWGYPTNU-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+]1CC[C@@H](N[C@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423299110 394890053 /nfs/dbraw/zinc/89/00/53/394890053.db2.gz BJRZBWIYQUNPTL-IXDOHACOSA-N 2 1 273.424 2.164 20 0 CEADMP CCc1ccc(C[NH2+]CCCC[NH+]2CCN(CC)CC2)o1 ZINC000130574287 394890602 /nfs/dbraw/zinc/89/06/02/394890602.db2.gz AZQWVVYTFRSRMV-UHFFFAOYSA-N 2 1 293.455 2.349 20 0 CEADMP C[C@@H]1C[C@@H](NCC[NH+](C)C2CCCC2)C[N@H+]1C1CC1 ZINC000130694397 394892995 /nfs/dbraw/zinc/89/29/95/394892995.db2.gz LRMBWURQMJHHOF-ZIAGYGMSSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H](NCC[N@H+](C)C2CCCC2)C[NH+]1C1CC1 ZINC000130694397 394892999 /nfs/dbraw/zinc/89/29/99/394892999.db2.gz LRMBWURQMJHHOF-ZIAGYGMSSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H](NCC[N@@H+](C)C2CCCC2)C[NH+]1C1CC1 ZINC000130694397 394893003 /nfs/dbraw/zinc/89/30/03/394893003.db2.gz LRMBWURQMJHHOF-ZIAGYGMSSA-N 2 1 265.445 2.076 20 0 CEADMP COCCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415125403 394898148 /nfs/dbraw/zinc/89/81/48/394898148.db2.gz LDRILHJTWXFUOK-GOEBONIOSA-N 2 1 292.423 2.129 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000423353934 394898840 /nfs/dbraw/zinc/89/88/40/394898840.db2.gz FIUMXWDVIXCWDC-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)cn1 ZINC000423363869 394901490 /nfs/dbraw/zinc/90/14/90/394901490.db2.gz CAMMXYIOMGGDQX-NHCYSSNCSA-N 2 1 253.777 2.384 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)n1 ZINC000415133763 394901667 /nfs/dbraw/zinc/90/16/67/394901667.db2.gz VMGBLARKXYAVNE-BXUZGUMPSA-N 2 1 277.412 2.124 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000364484894 394908913 /nfs/dbraw/zinc/90/89/13/394908913.db2.gz LNFXGALIVBJYHC-HZPDHXFCSA-N 2 1 295.471 2.147 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000364943974 394917113 /nfs/dbraw/zinc/91/71/13/394917113.db2.gz BHGUMJQMWCVJRL-UHFFFAOYSA-N 2 1 264.413 2.330 20 0 CEADMP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000423472230 394927334 /nfs/dbraw/zinc/92/73/34/394927334.db2.gz HWGHEHLKYODWBM-RYUDHWBXSA-N 2 1 269.339 2.285 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccncc1F ZINC000423486503 394932444 /nfs/dbraw/zinc/93/24/44/394932444.db2.gz ULARXIWFZRLOGL-UWVGGRQHSA-N 2 1 273.302 2.116 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1CCOCC1 ZINC000423501335 394937380 /nfs/dbraw/zinc/93/73/80/394937380.db2.gz DIQQADFVHTXALU-RRQGHBQHSA-N 2 1 274.408 2.147 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2CCO[C@@H](C(F)(F)F)C2)C[C@@]1(C)C[NH3+] ZINC000423504708 394939509 /nfs/dbraw/zinc/93/95/09/394939509.db2.gz GFMQLRAACLRNKS-WRWGMCAJSA-N 2 1 280.334 2.013 20 0 CEADMP C[C@@H]([C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C)C1CCCCC1 ZINC000423509713 394941092 /nfs/dbraw/zinc/94/10/92/394941092.db2.gz IXUBLHGVGUFYRF-OFQRWUPVSA-N 2 1 267.461 2.085 20 0 CEADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423522735 394943802 /nfs/dbraw/zinc/94/38/02/394943802.db2.gz ROWIYDVDMMPJDV-BBRMVZONSA-N 2 1 278.396 2.114 20 0 CEADMP CC[N@@H+]1CC[C@H](N[C@@H]2C[NH+](C)Cc3ccccc32)[C@@H](C)C1 ZINC000366694969 394951851 /nfs/dbraw/zinc/95/18/51/394951851.db2.gz LMEJHWFGUFMIKF-JCGIZDLHSA-N 2 1 287.451 2.493 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@@H]2C[NH+](C)Cc3ccccc32)[C@@H](C)C1 ZINC000366694969 394951856 /nfs/dbraw/zinc/95/18/56/394951856.db2.gz LMEJHWFGUFMIKF-JCGIZDLHSA-N 2 1 287.451 2.493 20 0 CEADMP CC[NH+]1CC[C@H](N[C@@H]2C[N@H+](C)Cc3ccccc32)[C@@H](C)C1 ZINC000366694969 394951859 /nfs/dbraw/zinc/95/18/59/394951859.db2.gz LMEJHWFGUFMIKF-JCGIZDLHSA-N 2 1 287.451 2.493 20 0 CEADMP CC[NH+]1CC[C@H](N[C@@H]2C[N@@H+](C)Cc3ccccc32)[C@@H](C)C1 ZINC000366694969 394951862 /nfs/dbraw/zinc/95/18/62/394951862.db2.gz LMEJHWFGUFMIKF-JCGIZDLHSA-N 2 1 287.451 2.493 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC2)C[C@@H]1c1ccccc1 ZINC000340237557 394981720 /nfs/dbraw/zinc/98/17/20/394981720.db2.gz OILBRHYKAVPGIL-JKSUJKDBSA-N 2 1 274.408 2.327 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(O)CCC2)C[C@@H]1c1ccccc1 ZINC000340237557 394981724 /nfs/dbraw/zinc/98/17/24/394981724.db2.gz OILBRHYKAVPGIL-JKSUJKDBSA-N 2 1 274.408 2.327 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C2CCC2)CC1 ZINC000340277123 394983202 /nfs/dbraw/zinc/98/32/02/394983202.db2.gz GURMPERHPVPBPR-QGZVFWFLSA-N 2 1 279.472 2.419 20 0 CEADMP CC[N@@H+](CCNC(=O)Nc1ccc(C[NH2+]C)cc1)C(C)C ZINC000415976938 394990600 /nfs/dbraw/zinc/99/06/00/394990600.db2.gz WZDSDFUZHIKINB-UHFFFAOYSA-N 2 1 292.427 2.258 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C)c1 ZINC000286084744 395010266 /nfs/dbraw/zinc/01/02/66/395010266.db2.gz MLNDFVHVELVOBE-IAGOWNOFSA-N 2 1 276.424 2.492 20 0 CEADMP CC[NH+](CC)CCCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339435893 394960111 /nfs/dbraw/zinc/96/01/11/394960111.db2.gz FRXXHJCBAJGVFL-MRXNPFEDSA-N 3 1 267.461 2.136 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC000367472369 394963364 /nfs/dbraw/zinc/96/33/64/394963364.db2.gz JTLOWGDIMZAEAY-IRXDYDNUSA-N 2 1 277.456 2.055 20 0 CEADMP Cc1cnn(CCCCC[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000367423725 394963396 /nfs/dbraw/zinc/96/33/96/394963396.db2.gz MXEJYYFNVKSJJQ-IRXDYDNUSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000367423725 394963399 /nfs/dbraw/zinc/96/33/99/394963399.db2.gz MXEJYYFNVKSJJQ-IRXDYDNUSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000367423725 394963402 /nfs/dbraw/zinc/96/34/02/394963402.db2.gz MXEJYYFNVKSJJQ-IRXDYDNUSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000367423725 394963405 /nfs/dbraw/zinc/96/34/05/394963405.db2.gz MXEJYYFNVKSJJQ-IRXDYDNUSA-N 2 1 290.455 2.388 20 0 CEADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000415911563 394976014 /nfs/dbraw/zinc/97/60/14/394976014.db2.gz YFJUBPVIOWCPAC-OAHLLOKOSA-N 2 1 290.411 2.012 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158566296 395049368 /nfs/dbraw/zinc/04/93/68/395049368.db2.gz AAQLMPNDHXHGCZ-QKPAOTATSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158566296 395049372 /nfs/dbraw/zinc/04/93/72/395049372.db2.gz AAQLMPNDHXHGCZ-QKPAOTATSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158566296 395049377 /nfs/dbraw/zinc/04/93/77/395049377.db2.gz AAQLMPNDHXHGCZ-QKPAOTATSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158566296 395049382 /nfs/dbraw/zinc/04/93/82/395049382.db2.gz AAQLMPNDHXHGCZ-QKPAOTATSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000344294497 395053056 /nfs/dbraw/zinc/05/30/56/395053056.db2.gz IVEUMUQMDKQMGM-YJNKXOJESA-N 2 1 268.445 2.102 20 0 CEADMP CC[C@H](O)[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000161810588 395066453 /nfs/dbraw/zinc/06/64/53/395066453.db2.gz ZFLXJRJQZYTYGJ-ZNMIVQPWSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@H](O)[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000161810588 395066456 /nfs/dbraw/zinc/06/64/56/395066456.db2.gz ZFLXJRJQZYTYGJ-ZNMIVQPWSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@H](O)[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000161810588 395066460 /nfs/dbraw/zinc/06/64/60/395066460.db2.gz ZFLXJRJQZYTYGJ-ZNMIVQPWSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](O)c1ccccc1 ZINC000290376158 395101170 /nfs/dbraw/zinc/10/11/70/395101170.db2.gz ROFVWAQDYOFIHO-OCVGTWLNSA-N 2 1 262.397 2.181 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](O)c1ccccc1 ZINC000290376158 395101174 /nfs/dbraw/zinc/10/11/74/395101174.db2.gz ROFVWAQDYOFIHO-OCVGTWLNSA-N 2 1 262.397 2.181 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H](C)[C@H](C[NH3+])C2)c1C ZINC000163831906 395085527 /nfs/dbraw/zinc/08/55/27/395085527.db2.gz CMPWRRPSTQBCPX-SMDDNHRTSA-N 2 1 277.412 2.124 20 0 CEADMP COc1c(C)cnc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1C ZINC000163831906 395085533 /nfs/dbraw/zinc/08/55/33/395085533.db2.gz CMPWRRPSTQBCPX-SMDDNHRTSA-N 2 1 277.412 2.124 20 0 CEADMP COc1c(C)cnc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1C ZINC000163831906 395085537 /nfs/dbraw/zinc/08/55/37/395085537.db2.gz CMPWRRPSTQBCPX-SMDDNHRTSA-N 2 1 277.412 2.124 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC000165490640 395086013 /nfs/dbraw/zinc/08/60/13/395086013.db2.gz KKKKJTQJBIRLFH-AGIUHOORSA-N 2 1 294.361 2.418 20 0 CEADMP COc1c(C)cnc(CN2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c1C ZINC000375031053 395090318 /nfs/dbraw/zinc/09/03/18/395090318.db2.gz MWPUKKKEEUOKDT-ZBFHGGJFSA-N 2 1 289.423 2.233 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]3CC[N@H+](C)[C@H]3C2)c1C ZINC000375031053 395090322 /nfs/dbraw/zinc/09/03/22/395090322.db2.gz MWPUKKKEEUOKDT-ZBFHGGJFSA-N 2 1 289.423 2.233 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c1C ZINC000375031053 395090325 /nfs/dbraw/zinc/09/03/25/395090325.db2.gz MWPUKKKEEUOKDT-ZBFHGGJFSA-N 2 1 289.423 2.233 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000427485946 395116988 /nfs/dbraw/zinc/11/69/88/395116988.db2.gz DNJJXCLTKUGJDM-CQSZACIVSA-N 2 1 294.443 2.242 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000427485946 395116993 /nfs/dbraw/zinc/11/69/93/395116993.db2.gz DNJJXCLTKUGJDM-CQSZACIVSA-N 2 1 294.443 2.242 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000347729929 395129341 /nfs/dbraw/zinc/12/93/41/395129341.db2.gz XUFUTMNHMYWRAU-XHSDSOJGSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000347729929 395129346 /nfs/dbraw/zinc/12/93/46/395129346.db2.gz XUFUTMNHMYWRAU-XHSDSOJGSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000347729929 395129351 /nfs/dbraw/zinc/12/93/51/395129351.db2.gz XUFUTMNHMYWRAU-XHSDSOJGSA-N 2 1 295.471 2.050 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000436310593 395108205 /nfs/dbraw/zinc/10/82/05/395108205.db2.gz RRSZEEWWYSMMSQ-ARILJUKYSA-N 2 1 282.428 2.037 20 0 CEADMP COCc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)o1 ZINC000290605211 395110261 /nfs/dbraw/zinc/11/02/61/395110261.db2.gz WETCROAMIVTKFV-DOMZBBRYSA-N 2 1 266.385 2.198 20 0 CEADMP COCc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)o1 ZINC000290605211 395110262 /nfs/dbraw/zinc/11/02/62/395110262.db2.gz WETCROAMIVTKFV-DOMZBBRYSA-N 2 1 266.385 2.198 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494682801 395135361 /nfs/dbraw/zinc/13/53/61/395135361.db2.gz SGMSLVQWJQTRFH-HOTGVXAUSA-N 2 1 295.471 2.147 20 0 CEADMP CC(=O)CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377331143 395136674 /nfs/dbraw/zinc/13/66/74/395136674.db2.gz RGBKDJXSFJQCQG-QZTJIDSGSA-N 2 1 286.419 2.419 20 0 CEADMP CC(=O)CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377331143 395136680 /nfs/dbraw/zinc/13/66/80/395136680.db2.gz RGBKDJXSFJQCQG-QZTJIDSGSA-N 2 1 286.419 2.419 20 0 CEADMP CC(=O)CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377331143 395136683 /nfs/dbraw/zinc/13/66/83/395136683.db2.gz RGBKDJXSFJQCQG-QZTJIDSGSA-N 2 1 286.419 2.419 20 0 CEADMP CC(=O)CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377331143 395136688 /nfs/dbraw/zinc/13/66/88/395136688.db2.gz RGBKDJXSFJQCQG-QZTJIDSGSA-N 2 1 286.419 2.419 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000348261936 395141144 /nfs/dbraw/zinc/14/11/44/395141144.db2.gz NFFATZWZOFQSBZ-CQSZACIVSA-N 2 1 256.434 2.105 20 0 CEADMP C[C@H](C[NH2+]Cc1cccc2c1OCCCO2)C[NH+](C)C ZINC000291794576 395161457 /nfs/dbraw/zinc/16/14/57/395161457.db2.gz WPMYMHWTWDOHRA-CYBMUJFWSA-N 2 1 278.396 2.135 20 0 CEADMP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381224537 395174316 /nfs/dbraw/zinc/17/43/16/395174316.db2.gz WVNNZSKLQWTBOX-XHSDSOJGSA-N 2 1 278.440 2.410 20 0 CEADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178962280 395176879 /nfs/dbraw/zinc/17/68/79/395176879.db2.gz ZMZYBRZTMOQZDA-GOEBONIOSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@]2(CC=CCC2)C1)C1CC1 ZINC000351519223 395227063 /nfs/dbraw/zinc/22/70/63/395227063.db2.gz OEDOJZZIAFEFHV-IAGOWNOFSA-N 2 1 278.440 2.264 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@]2(CC=CCC2)C1)C1CC1 ZINC000351519223 395227065 /nfs/dbraw/zinc/22/70/65/395227065.db2.gz OEDOJZZIAFEFHV-IAGOWNOFSA-N 2 1 278.440 2.264 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@]2(CC=CCC2)C1)C1CC1 ZINC000351519223 395227066 /nfs/dbraw/zinc/22/70/66/395227066.db2.gz OEDOJZZIAFEFHV-IAGOWNOFSA-N 2 1 278.440 2.264 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@]2(CC=CCC2)C1)C1CC1 ZINC000351519223 395227067 /nfs/dbraw/zinc/22/70/67/395227067.db2.gz OEDOJZZIAFEFHV-IAGOWNOFSA-N 2 1 278.440 2.264 20 0 CEADMP CC(C)C[C@H]1CCC[N@@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000351546732 395228285 /nfs/dbraw/zinc/22/82/85/395228285.db2.gz ZJZBHARFOIKMME-ZBFHGGJFSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)C[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351546732 395228289 /nfs/dbraw/zinc/22/82/89/395228289.db2.gz ZJZBHARFOIKMME-ZBFHGGJFSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)C[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351546732 395228291 /nfs/dbraw/zinc/22/82/91/395228291.db2.gz ZJZBHARFOIKMME-ZBFHGGJFSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)C[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351546732 395228294 /nfs/dbraw/zinc/22/82/94/395228294.db2.gz ZJZBHARFOIKMME-ZBFHGGJFSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)C[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351546732 395228297 /nfs/dbraw/zinc/22/82/97/395228297.db2.gz ZJZBHARFOIKMME-ZBFHGGJFSA-N 2 1 268.445 2.200 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000520219782 395238310 /nfs/dbraw/zinc/23/83/10/395238310.db2.gz LKTSSNKCZXQRKM-MUIFIZLQSA-N 2 1 276.424 2.223 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000418204566 395193981 /nfs/dbraw/zinc/19/39/81/395193981.db2.gz XRZLRKUHUXZUJH-KFWWJZLASA-N 2 1 298.475 2.018 20 0 CEADMP C(C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000438201548 395212460 /nfs/dbraw/zinc/21/24/60/395212460.db2.gz MGJNGHISDJXHDV-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP C(C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000438201548 395212464 /nfs/dbraw/zinc/21/24/64/395212464.db2.gz MGJNGHISDJXHDV-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@H](C[NH2+]Cc1ccns1)C[NH+]1CCCCC1 ZINC000404412173 395282777 /nfs/dbraw/zinc/28/27/77/395282777.db2.gz KAUZBPVBQGMCBR-GFCCVEGCSA-N 2 1 253.415 2.355 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000353055113 395286855 /nfs/dbraw/zinc/28/68/55/395286855.db2.gz CLEIIWXWGZVZRY-QRVBRYPASA-N 2 1 299.462 2.254 20 0 CEADMP C[N@@H+](CCOc1ccc(F)cc1)CC[C@@H]1CC[NH2+]C1 ZINC000420323356 395325393 /nfs/dbraw/zinc/32/53/93/395325393.db2.gz SYPCPENSCKOJQZ-ZDUSSCGKSA-N 2 1 266.360 2.136 20 0 CEADMP Clc1ccc([C@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420322909 395326007 /nfs/dbraw/zinc/32/60/07/395326007.db2.gz SSEHTPUCHIPOOY-MRXNPFEDSA-N 2 1 293.842 2.382 20 0 CEADMP CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)[NH+](CC)CC ZINC000434418779 395297697 /nfs/dbraw/zinc/29/76/97/395297697.db2.gz FJRNPKIKTYJLKK-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323047 395326165 /nfs/dbraw/zinc/32/61/65/395326165.db2.gz TUQBOUFVZHXQIU-CVEARBPZSA-N 3 1 267.461 2.040 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323047 395326167 /nfs/dbraw/zinc/32/61/67/395326167.db2.gz TUQBOUFVZHXQIU-CVEARBPZSA-N 3 1 267.461 2.040 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323047 395326168 /nfs/dbraw/zinc/32/61/68/395326168.db2.gz TUQBOUFVZHXQIU-CVEARBPZSA-N 3 1 267.461 2.040 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000420291426 395299469 /nfs/dbraw/zinc/29/94/69/395299469.db2.gz KOUAKUZSIHINNE-CYBMUJFWSA-N 2 1 299.422 2.041 20 0 CEADMP C[C@H]([NH3+])C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000420301500 395307934 /nfs/dbraw/zinc/30/79/34/395307934.db2.gz LHQLDFLJNZKIKK-LBPRGKRZSA-N 2 1 250.361 2.427 20 0 CEADMP [NH3+]C1(C[NH2+]CCOc2ccccc2Br)CCC1 ZINC000420304002 395309287 /nfs/dbraw/zinc/30/92/87/395309287.db2.gz IGLIJOLRALSHNF-UHFFFAOYSA-N 2 1 299.212 2.299 20 0 CEADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420310561 395314148 /nfs/dbraw/zinc/31/41/48/395314148.db2.gz VDUYWBLVKXKLKK-ZACQAIPSSA-N 2 1 295.471 2.097 20 0 CEADMP COc1cccc(OCC[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000420314787 395318027 /nfs/dbraw/zinc/31/80/27/395318027.db2.gz LJPJSUPEMPPVRO-AWEZNQCLSA-N 2 1 278.396 2.277 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1C ZINC000420314833 395318599 /nfs/dbraw/zinc/31/85/99/395318599.db2.gz KJCLGSKJMIVEID-VHDGCEQUSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1C ZINC000420314833 395318602 /nfs/dbraw/zinc/31/86/02/395318602.db2.gz KJCLGSKJMIVEID-VHDGCEQUSA-N 2 1 289.423 2.300 20 0 CEADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCCCO1 ZINC000420314090 395318705 /nfs/dbraw/zinc/31/87/05/395318705.db2.gz YSJGIIQIRUJZKX-HUUCEWRRSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H]([NH3+])CN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000420317351 395319539 /nfs/dbraw/zinc/31/95/39/395319539.db2.gz MWSQFOUYOVLZQI-CHWSQXEVSA-N 2 1 281.831 2.366 20 0 CEADMP COCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434672125 395319803 /nfs/dbraw/zinc/31/98/03/395319803.db2.gz XRVPQFVAYCCBOL-UHFFFAOYSA-N 2 1 277.412 2.435 20 0 CEADMP C(C[N@H+]1CCC[C@@H]1CN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000420317208 395320150 /nfs/dbraw/zinc/32/01/50/395320150.db2.gz MRBFLNIJYMTEBE-IAGOWNOFSA-N 2 1 279.472 2.326 20 0 CEADMP C(CN1CCC[C@@H]1C[NH+]1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000420317208 395320153 /nfs/dbraw/zinc/32/01/53/395320153.db2.gz MRBFLNIJYMTEBE-IAGOWNOFSA-N 2 1 279.472 2.326 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000420318336 395322257 /nfs/dbraw/zinc/32/22/57/395322257.db2.gz NXYKMXFRIRJZHW-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000420318336 395322261 /nfs/dbraw/zinc/32/22/61/395322261.db2.gz NXYKMXFRIRJZHW-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000420318336 395322266 /nfs/dbraw/zinc/32/22/66/395322266.db2.gz NXYKMXFRIRJZHW-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000420318336 395322271 /nfs/dbraw/zinc/32/22/71/395322271.db2.gz NXYKMXFRIRJZHW-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CC[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000420318336 395322276 /nfs/dbraw/zinc/32/22/76/395322276.db2.gz NXYKMXFRIRJZHW-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CO1 ZINC000401806298 395262677 /nfs/dbraw/zinc/26/26/77/395262677.db2.gz AHLZNAMYERYZGI-GDBMZVCRSA-N 2 1 262.397 2.276 20 0 CEADMP C[C@H]([NH3+])CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000420366075 395353671 /nfs/dbraw/zinc/35/36/71/395353671.db2.gz FKXTYDJBFZLFLB-JQHSSLGASA-N 2 1 287.451 2.320 20 0 CEADMP COC(=O)CC1(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000440787140 395355413 /nfs/dbraw/zinc/35/54/13/395355413.db2.gz VGVRGMVMOXCFSL-OAHLLOKOSA-N 2 1 294.439 2.280 20 0 CEADMP COC(=O)CC1(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000440787140 395355417 /nfs/dbraw/zinc/35/54/17/395355417.db2.gz VGVRGMVMOXCFSL-OAHLLOKOSA-N 2 1 294.439 2.280 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC(F)(F)C1 ZINC000529532270 395397629 /nfs/dbraw/zinc/39/76/29/395397629.db2.gz HZXLHAITGDLQLB-QWRGUYRKSA-N 2 1 258.356 2.494 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420379279 395363868 /nfs/dbraw/zinc/36/38/68/395363868.db2.gz MZEQKTMPEGOLAV-QKPAOTATSA-N 2 1 295.471 2.083 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420379279 395363873 /nfs/dbraw/zinc/36/38/73/395363873.db2.gz MZEQKTMPEGOLAV-QKPAOTATSA-N 2 1 295.471 2.083 20 0 CEADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420377928 395364598 /nfs/dbraw/zinc/36/45/98/395364598.db2.gz SXBOLMGKGADTTQ-KGLIPLIRSA-N 2 1 262.401 2.163 20 0 CEADMP C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)[C@H]1CCCCO1 ZINC000420406579 395372803 /nfs/dbraw/zinc/37/28/03/395372803.db2.gz USTUHVLTTNYOLZ-BZUAXINKSA-N 2 1 266.429 2.410 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420413824 395374336 /nfs/dbraw/zinc/37/43/36/395374336.db2.gz TWNICDAZYUHJSV-IUODEOHRSA-N 2 1 275.396 2.062 20 0 CEADMP C[C@H]1CC[N@@H+](CCOc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000420416787 395375362 /nfs/dbraw/zinc/37/53/62/395375362.db2.gz VWAGNUWGJXQOOM-QWHCGFSZSA-N 2 1 266.360 2.121 20 0 CEADMP CC(C)OCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435626579 395379047 /nfs/dbraw/zinc/37/90/47/395379047.db2.gz KWRBPFMHCSSDAA-KRWDZBQOSA-N 2 1 291.439 2.451 20 0 CEADMP CC(C)OCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435626579 395379050 /nfs/dbraw/zinc/37/90/50/395379050.db2.gz KWRBPFMHCSSDAA-KRWDZBQOSA-N 2 1 291.439 2.451 20 0 CEADMP CC[N@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000435628114 395380068 /nfs/dbraw/zinc/38/00/68/395380068.db2.gz PPYUEIZMMOWOEO-OAGGEKHMSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000435628114 395380070 /nfs/dbraw/zinc/38/00/70/395380070.db2.gz PPYUEIZMMOWOEO-OAGGEKHMSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000443314664 395399378 /nfs/dbraw/zinc/39/93/78/395399378.db2.gz ZOJZIOQUMSGJRB-PMPSAXMXSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@H]([NH3+])CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000442667024 395389727 /nfs/dbraw/zinc/38/97/27/395389727.db2.gz XSBXNYVPBGKOTR-YQQAZPJKSA-N 2 1 275.440 2.319 20 0 CEADMP C[C@@H]([NH3+])C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000442663595 395389801 /nfs/dbraw/zinc/38/98/01/395389801.db2.gz SWFPROMRGVHKQI-CYBMUJFWSA-N 2 1 272.396 2.288 20 0 CEADMP C[C@@H]([NH3+])C[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000442663595 395389805 /nfs/dbraw/zinc/38/98/05/395389805.db2.gz SWFPROMRGVHKQI-CYBMUJFWSA-N 2 1 272.396 2.288 20 0 CEADMP Cc1cnc([C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000420325535 395327850 /nfs/dbraw/zinc/32/78/50/395327850.db2.gz ISSHEKXFFWXDNS-BFHYXJOUSA-N 2 1 263.385 2.366 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCCC2)CC12CCOCC2 ZINC000420335912 395333185 /nfs/dbraw/zinc/33/31/85/395333185.db2.gz VGZPEAOHUGRHNT-HNNXBMFYSA-N 2 1 266.429 2.254 20 0 CEADMP COc1cccc2c1CC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420353481 395340834 /nfs/dbraw/zinc/34/08/34/395340834.db2.gz BTHAAPPACRWFPH-OAHLLOKOSA-N 2 1 288.435 2.486 20 0 CEADMP c1ccc(CC[C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420353052 395341465 /nfs/dbraw/zinc/34/14/65/395341465.db2.gz BFZKKRBKVJBBBE-QZTJIDSGSA-N 2 1 288.435 2.320 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)C1CCCCC1 ZINC000354844827 395345125 /nfs/dbraw/zinc/34/51/25/395345125.db2.gz YXRJUQUQHRSGFZ-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000354844827 395345128 /nfs/dbraw/zinc/34/51/28/395345128.db2.gz YXRJUQUQHRSGFZ-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000354844827 395345132 /nfs/dbraw/zinc/34/51/32/395345132.db2.gz YXRJUQUQHRSGFZ-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CC1CC[NH+](CC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000354870067 395346905 /nfs/dbraw/zinc/34/69/05/395346905.db2.gz YJWDSAQDSBWIDA-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@]1(CO)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444770930 395453074 /nfs/dbraw/zinc/45/30/74/395453074.db2.gz MOQWMPVCLNZGPI-MRXNPFEDSA-N 2 1 268.445 2.489 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000355339550 395415306 /nfs/dbraw/zinc/41/53/06/395415306.db2.gz ZXSCIGBQJSURHS-UONOGXRCSA-N 2 1 279.428 2.341 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566245567 395507108 /nfs/dbraw/zinc/50/71/08/395507108.db2.gz VEYPKXXQPRJWEQ-KSSFIOAISA-N 3 1 283.419 2.193 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566245567 395507111 /nfs/dbraw/zinc/50/71/11/395507111.db2.gz VEYPKXXQPRJWEQ-KSSFIOAISA-N 2 1 283.419 2.193 20 0 CEADMP CC(C)C[C@@H](N)c1noc(C[C@@H](C)n2ccnc2)n1 ZINC000566310281 395512109 /nfs/dbraw/zinc/51/21/09/395512109.db2.gz HQGRBGVHQYFRQS-GHMZBOCLSA-N 2 1 263.345 2.116 20 0 CEADMP Cn1cncc1CCC[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000566426117 395522257 /nfs/dbraw/zinc/52/22/57/395522257.db2.gz NPNOBUCHJZGYHN-OAHLLOKOSA-N 2 1 270.380 2.237 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000566426117 395522260 /nfs/dbraw/zinc/52/22/60/395522260.db2.gz NPNOBUCHJZGYHN-OAHLLOKOSA-N 2 1 270.380 2.237 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000566426117 395522263 /nfs/dbraw/zinc/52/22/63/395522263.db2.gz NPNOBUCHJZGYHN-OAHLLOKOSA-N 2 1 270.380 2.237 20 0 CEADMP Cc1[nH+]cc(CNC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n1C ZINC000566496579 395531278 /nfs/dbraw/zinc/53/12/78/395531278.db2.gz JOYCXEZJNMTUIM-CZUORRHYSA-N 2 1 278.444 2.329 20 0 CEADMP c1ccc(O[C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000567871042 395537670 /nfs/dbraw/zinc/53/76/70/395537670.db2.gz LIDSSWNGOCJJFP-HOCLYGCPSA-N 2 1 260.381 2.139 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446080473 395484567 /nfs/dbraw/zinc/48/45/67/395484567.db2.gz MEMJZHZJMRVPQO-MJBXVCDLSA-N 2 1 265.401 2.469 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446080473 395484569 /nfs/dbraw/zinc/48/45/69/395484569.db2.gz MEMJZHZJMRVPQO-MJBXVCDLSA-N 2 1 265.401 2.469 20 0 CEADMP c1cncc([C@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000568758727 395570281 /nfs/dbraw/zinc/57/02/81/395570281.db2.gz PJEOSPJROTUXJO-INIZCTEOSA-N 2 1 259.397 2.357 20 0 CEADMP COc1cc2c(cc1C[NH2+]C1(C)CC[NH2+]CC1)O[C@@H](C)C2 ZINC000574020657 395624333 /nfs/dbraw/zinc/62/43/33/395624333.db2.gz RMTPAZADRMQHBH-LBPRGKRZSA-N 2 1 290.407 2.250 20 0 CEADMP COCC[NH+]1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000574704055 395635870 /nfs/dbraw/zinc/63/58/70/395635870.db2.gz SXDCCZIVBWUJJL-UHFFFAOYSA-N 2 1 287.407 2.368 20 0 CEADMP Cc1cnc(C)nc1NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000574770679 395637465 /nfs/dbraw/zinc/63/74/65/395637465.db2.gz KVOKSZGBVZUUAU-WCQYABFASA-N 2 1 262.401 2.048 20 0 CEADMP C(C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1)[C@H]1CCC[NH2+]C1 ZINC000574790997 395637580 /nfs/dbraw/zinc/63/75/80/395637580.db2.gz NWXJFDLBUOTCLL-OCCSQVGLSA-N 2 1 290.411 2.126 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000493909454 395677872 /nfs/dbraw/zinc/67/78/72/395677872.db2.gz VYWNBOXYKMVGOT-QLFBSQMISA-N 2 1 264.413 2.018 20 0 CEADMP CC(C)[NH+]1CCC([N@H+](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000494032835 395678825 /nfs/dbraw/zinc/67/88/25/395678825.db2.gz KIFUKNJQHQNFKW-UHFFFAOYSA-N 2 1 299.459 2.316 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000494032835 395678826 /nfs/dbraw/zinc/67/88/26/395678826.db2.gz KIFUKNJQHQNFKW-UHFFFAOYSA-N 2 1 299.459 2.316 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)[C@@H]2CCC[C@@H]21 ZINC000647322295 395702489 /nfs/dbraw/zinc/70/24/89/395702489.db2.gz PTUCUPMRWDNWGW-ULQDDVLXSA-N 2 1 274.408 2.141 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000647493481 395721026 /nfs/dbraw/zinc/72/10/26/395721026.db2.gz WJFZSBPYHYVMHK-CYBMUJFWSA-N 2 1 288.395 2.030 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000647493481 395721028 /nfs/dbraw/zinc/72/10/28/395721028.db2.gz WJFZSBPYHYVMHK-CYBMUJFWSA-N 2 1 288.395 2.030 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc2cnccc2c1 ZINC000647508673 395723567 /nfs/dbraw/zinc/72/35/67/395723567.db2.gz XLXZQHSEJXQYTG-TZMCWYRMSA-N 2 1 255.365 2.404 20 0 CEADMP CCOc1ccccc1CC[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647548943 395732861 /nfs/dbraw/zinc/73/28/61/395732861.db2.gz BJWYDXPOEJNUEF-ZFWWWQNUSA-N 2 1 262.397 2.215 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000647536663 395728644 /nfs/dbraw/zinc/72/86/44/395728644.db2.gz SCVZAYIYFBJTGX-INIZCTEOSA-N 2 1 255.365 2.406 20 0 CEADMP c1ccc2c(c1)ccnc2C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000647538897 395729931 /nfs/dbraw/zinc/72/99/31/395729931.db2.gz MTSDREZOXACDSQ-QGZVFWFLSA-N 2 1 267.376 2.420 20 0 CEADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543322 395730924 /nfs/dbraw/zinc/73/09/24/395730924.db2.gz LADAUAYRZJGYKC-GJZGRUSLSA-N 2 1 276.428 2.238 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000647650952 395740235 /nfs/dbraw/zinc/74/02/35/395740235.db2.gz BKZKTOKZWYJSQC-MCIONIFRSA-N 2 1 292.427 2.125 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000647788008 395754537 /nfs/dbraw/zinc/75/45/37/395754537.db2.gz BONDOGTUGUHFPH-WRQOLXDDSA-N 3 1 279.472 2.085 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000647788008 395754538 /nfs/dbraw/zinc/75/45/38/395754538.db2.gz BONDOGTUGUHFPH-WRQOLXDDSA-N 3 1 279.472 2.085 20 0 CEADMP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000647849565 395763456 /nfs/dbraw/zinc/76/34/56/395763456.db2.gz YJBDMNWCMKCRLI-NEPJUHHUSA-N 2 1 297.830 2.186 20 0 CEADMP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000647849565 395763457 /nfs/dbraw/zinc/76/34/57/395763457.db2.gz YJBDMNWCMKCRLI-NEPJUHHUSA-N 2 1 297.830 2.186 20 0 CEADMP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000647849568 395763535 /nfs/dbraw/zinc/76/35/35/395763535.db2.gz YJBDMNWCMKCRLI-VXGBXAGGSA-N 2 1 297.830 2.186 20 0 CEADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000647849568 395763537 /nfs/dbraw/zinc/76/35/37/395763537.db2.gz YJBDMNWCMKCRLI-VXGBXAGGSA-N 2 1 297.830 2.186 20 0 CEADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647872557 395766227 /nfs/dbraw/zinc/76/62/27/395766227.db2.gz AKMAHECDJWYTQT-CJNGLKHVSA-N 2 1 260.381 2.442 20 0 CEADMP c1csc(C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000647873374 395766904 /nfs/dbraw/zinc/76/69/04/395766904.db2.gz BXAPNATZXQXPBH-KGLIPLIRSA-N 2 1 280.437 2.339 20 0 CEADMP c1csc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000647873374 395766906 /nfs/dbraw/zinc/76/69/06/395766906.db2.gz BXAPNATZXQXPBH-KGLIPLIRSA-N 2 1 280.437 2.339 20 0 CEADMP CC[C@H]1C[N@@H+](CCOc2cccc(OC)c2)CC[C@@H]1[NH3+] ZINC000647935025 395778821 /nfs/dbraw/zinc/77/88/21/395778821.db2.gz XGYZRNLQCGXGOH-BBRMVZONSA-N 2 1 278.396 2.133 20 0 CEADMP Cc1ccsc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071586 395825826 /nfs/dbraw/zinc/82/58/26/395825826.db2.gz JREXJOSKJCGCAN-UHFFFAOYSA-N 2 1 280.437 2.353 20 0 CEADMP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1F ZINC000648071824 395825869 /nfs/dbraw/zinc/82/58/69/395825869.db2.gz WFHNOYDXGRZPPF-UHFFFAOYSA-N 2 1 292.398 2.431 20 0 CEADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1F ZINC000648071824 395825870 /nfs/dbraw/zinc/82/58/70/395825870.db2.gz WFHNOYDXGRZPPF-UHFFFAOYSA-N 2 1 292.398 2.431 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000647971023 395791633 /nfs/dbraw/zinc/79/16/33/395791633.db2.gz PMOUTCKFSPZYHK-IRXDYDNUSA-N 2 1 276.424 2.428 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000647971023 395791635 /nfs/dbraw/zinc/79/16/35/395791635.db2.gz PMOUTCKFSPZYHK-IRXDYDNUSA-N 2 1 276.424 2.428 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000647992981 395798473 /nfs/dbraw/zinc/79/84/73/395798473.db2.gz WOEIOZUIQZVIDW-FMKPAKJESA-N 3 1 267.461 2.071 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CCO[C@H](CC)C1)[NH+]1CCCC1 ZINC000648417472 395905543 /nfs/dbraw/zinc/90/55/43/395905543.db2.gz ZOENNULPGIPHPS-RBSFLKMASA-N 2 1 254.418 2.408 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000648429285 395907055 /nfs/dbraw/zinc/90/70/55/395907055.db2.gz NVXKFKXJHWRVCL-IMRBUKKESA-N 2 1 251.374 2.127 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[N@H+](C)C(C)C ZINC000648732230 395969648 /nfs/dbraw/zinc/96/96/48/395969648.db2.gz NVKNMLTVUGERIX-AWEZNQCLSA-N 2 1 294.443 2.243 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[N@@H+](C)C(C)C ZINC000648732230 395969650 /nfs/dbraw/zinc/96/96/50/395969650.db2.gz NVKNMLTVUGERIX-AWEZNQCLSA-N 2 1 294.443 2.243 20 0 CEADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(C)C ZINC000648781410 395982284 /nfs/dbraw/zinc/98/22/84/395982284.db2.gz GIGCNIMFRBXWCJ-OWCLPIDISA-N 2 1 297.487 2.199 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000648782688 395983062 /nfs/dbraw/zinc/98/30/62/395983062.db2.gz YRLGQWNFJIOANX-KBPBESRZSA-N 2 1 294.443 2.243 20 0 CEADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000649413653 396147106 /nfs/dbraw/zinc/14/71/06/396147106.db2.gz WSURKBRTHYERBV-RDJZCZTQSA-N 2 1 273.424 2.197 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000649507526 396174754 /nfs/dbraw/zinc/17/47/54/396174754.db2.gz WELUMSOSZQULPO-CVEARBPZSA-N 2 1 265.445 2.031 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C[C@H]2CCC[NH+]2C)C1 ZINC000649558934 396189058 /nfs/dbraw/zinc/18/90/58/396189058.db2.gz HXJBZINAUGLPTJ-TWMKSMIVSA-N 2 1 279.472 2.418 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C[C@H]2CCC[N@@H+]2C)C1 ZINC000649558934 396189061 /nfs/dbraw/zinc/18/90/61/396189061.db2.gz HXJBZINAUGLPTJ-TWMKSMIVSA-N 2 1 279.472 2.418 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C[C@H]2CCC[N@H+]2C)C1 ZINC000649558934 396189064 /nfs/dbraw/zinc/18/90/64/396189064.db2.gz HXJBZINAUGLPTJ-TWMKSMIVSA-N 2 1 279.472 2.418 20 0 CEADMP C[C@@H]([N@H+](C)Cc1nc(C(C)(C)[NH3+])no1)C(C)(C)C ZINC000043402315 400139081 /nfs/dbraw/zinc/13/90/81/400139081.db2.gz CFUOSIWLCLNCDQ-SECBINFHSA-N 2 1 254.378 2.130 20 0 CEADMP C[C@@H]([N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1)C(C)(C)C ZINC000043402315 400139085 /nfs/dbraw/zinc/13/90/85/400139085.db2.gz CFUOSIWLCLNCDQ-SECBINFHSA-N 2 1 254.378 2.130 20 0 CEADMP C[C@@H]([NH2+]CCn1cccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309772446 400341016 /nfs/dbraw/zinc/34/10/16/400341016.db2.gz HVSSLSKQSZRZFZ-AEFFLSMTSA-N 2 1 298.434 2.383 20 0 CEADMP CN(C[C@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388612702 400532659 /nfs/dbraw/zinc/53/26/59/400532659.db2.gz YGBHWVSDLFRLMQ-ZWKOTPCHSA-N 2 1 287.451 2.192 20 0 CEADMP Cc1ncccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000388919408 400535458 /nfs/dbraw/zinc/53/54/58/400535458.db2.gz WINHMPCSIUWHNN-CVEARBPZSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ncccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000388919408 400535464 /nfs/dbraw/zinc/53/54/64/400535464.db2.gz WINHMPCSIUWHNN-CVEARBPZSA-N 2 1 259.397 2.354 20 0 CEADMP CC(C)C1(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000638137134 400690792 /nfs/dbraw/zinc/69/07/92/400690792.db2.gz GFNVKICQZDXEOU-IRXDYDNUSA-N 2 1 293.499 2.380 20 0 CEADMP COc1cccc2c1C[N@H+](CCn1cc[nH+]c1C)CC2 ZINC000650109565 400803916 /nfs/dbraw/zinc/80/39/16/400803916.db2.gz MVHJQYYIBFVMAJ-UHFFFAOYSA-N 2 1 271.364 2.258 20 0 CEADMP COc1cccc2c1C[N@@H+](CCn1cc[nH+]c1C)CC2 ZINC000650109565 400803918 /nfs/dbraw/zinc/80/39/18/400803918.db2.gz MVHJQYYIBFVMAJ-UHFFFAOYSA-N 2 1 271.364 2.258 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000650705507 400998664 /nfs/dbraw/zinc/99/86/64/400998664.db2.gz JXOSIOHKNYSULX-YDHLFZDLSA-N 2 1 295.452 2.170 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000650707315 400998742 /nfs/dbraw/zinc/99/87/42/400998742.db2.gz CRVUVWJKIAWCOW-YESZJQIVSA-N 2 1 289.423 2.108 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc3c1NCC3)C2 ZINC000650709419 400999636 /nfs/dbraw/zinc/99/96/36/400999636.db2.gz ZZJZNJWBTCMADB-RDJZCZTQSA-N 2 1 271.408 2.215 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC3CCCC3)C2)C1 ZINC000650708450 400999819 /nfs/dbraw/zinc/99/98/19/400999819.db2.gz ZSULTGXHCXTTLK-OAGGEKHMSA-N 2 1 266.429 2.395 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000650720595 401009322 /nfs/dbraw/zinc/00/93/22/401009322.db2.gz VCZWHLMMHNTNTJ-OKZBNKHCSA-N 2 1 287.451 2.416 20 0 CEADMP Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650722358 401011811 /nfs/dbraw/zinc/01/18/11/401011811.db2.gz QGTLKVQYMYWIHU-YUELXQCFSA-N 2 1 295.452 2.312 20 0 CEADMP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650722358 401011817 /nfs/dbraw/zinc/01/18/17/401011817.db2.gz QGTLKVQYMYWIHU-YUELXQCFSA-N 2 1 295.452 2.312 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CNc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000650749631 401025874 /nfs/dbraw/zinc/02/58/74/401025874.db2.gz QXUBEYDTCVMBMP-LAQRGFTBSA-N 2 1 285.435 2.486 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650759056 401035846 /nfs/dbraw/zinc/03/58/46/401035846.db2.gz CBSSXNWECSHKQV-KMFMINBZSA-N 2 1 273.424 2.391 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](COC)CC(C)(C)C)C1 ZINC000651681735 401370858 /nfs/dbraw/zinc/37/08/58/401370858.db2.gz ZPUVYQQYAHYRMZ-UONOGXRCSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@@H]1CCCCC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000651685794 401371538 /nfs/dbraw/zinc/37/15/38/401371538.db2.gz DZBRUXPZCUFHIC-GDBMZVCRSA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000651865681 401405698 /nfs/dbraw/zinc/40/56/98/401405698.db2.gz DJPVIUHPEONEJR-HOTGVXAUSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000651865681 401405699 /nfs/dbraw/zinc/40/56/99/401405699.db2.gz DJPVIUHPEONEJR-HOTGVXAUSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651865681 401405701 /nfs/dbraw/zinc/40/57/01/401405701.db2.gz DJPVIUHPEONEJR-HOTGVXAUSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000651865681 401405702 /nfs/dbraw/zinc/40/57/02/401405702.db2.gz DJPVIUHPEONEJR-HOTGVXAUSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000651865681 401405704 /nfs/dbraw/zinc/40/57/04/401405704.db2.gz DJPVIUHPEONEJR-HOTGVXAUSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000651865681 401405706 /nfs/dbraw/zinc/40/57/06/401405706.db2.gz DJPVIUHPEONEJR-HOTGVXAUSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651865681 401405708 /nfs/dbraw/zinc/40/57/08/401405708.db2.gz DJPVIUHPEONEJR-HOTGVXAUSA-N 3 1 267.461 2.181 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652221933 401466544 /nfs/dbraw/zinc/46/65/44/401466544.db2.gz AILSQDUNZVTSOM-CYBMUJFWSA-N 2 1 266.433 2.357 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000652221933 401466546 /nfs/dbraw/zinc/46/65/46/401466546.db2.gz AILSQDUNZVTSOM-CYBMUJFWSA-N 2 1 266.433 2.357 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000652222570 401466864 /nfs/dbraw/zinc/46/68/64/401466864.db2.gz RRRQHZAZIJJJTG-ZDUSSCGKSA-N 2 1 252.406 2.049 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000652222570 401466865 /nfs/dbraw/zinc/46/68/65/401466865.db2.gz RRRQHZAZIJJJTG-ZDUSSCGKSA-N 2 1 252.406 2.049 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000652222149 401466950 /nfs/dbraw/zinc/46/69/50/401466950.db2.gz GNGXJEWDSXWRRT-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000652222149 401466952 /nfs/dbraw/zinc/46/69/52/401466952.db2.gz GNGXJEWDSXWRRT-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000652222149 401466954 /nfs/dbraw/zinc/46/69/54/401466954.db2.gz GNGXJEWDSXWRRT-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000652222149 401466955 /nfs/dbraw/zinc/46/69/55/401466955.db2.gz GNGXJEWDSXWRRT-BBWFWOEESA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000652222149 401466957 /nfs/dbraw/zinc/46/69/57/401466957.db2.gz GNGXJEWDSXWRRT-BBWFWOEESA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000652222149 401466958 /nfs/dbraw/zinc/46/69/58/401466958.db2.gz GNGXJEWDSXWRRT-BBWFWOEESA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000652222149 401466960 /nfs/dbraw/zinc/46/69/60/401466960.db2.gz GNGXJEWDSXWRRT-BBWFWOEESA-N 3 1 281.488 2.427 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCCCF)C2)C1 ZINC000652349179 401491805 /nfs/dbraw/zinc/49/18/05/401491805.db2.gz DXSXKNGXRJGRBT-RRFJBIMHSA-N 2 1 272.408 2.345 20 0 CEADMP CCCCOCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361631 401494256 /nfs/dbraw/zinc/49/42/56/401494256.db2.gz LFSMMPZPSACIHO-ARFHVFGLSA-N 2 1 284.444 2.164 20 0 CEADMP CC(C)CCOCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652362824 401494427 /nfs/dbraw/zinc/49/44/27/401494427.db2.gz QZBBXDQKRDUXBH-BRWVUGGUSA-N 2 1 298.471 2.410 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC[C@@H]2CCCCO2)C1 ZINC000652363562 401494763 /nfs/dbraw/zinc/49/47/63/401494763.db2.gz HZLFQSAETFHJDO-QZWWFDLISA-N 2 1 296.455 2.306 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000652364487 401495311 /nfs/dbraw/zinc/49/53/11/401495311.db2.gz SZZNPHZVFCVAOF-ZFWWWQNUSA-N 2 1 296.361 2.469 20 0 CEADMP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000308337392 286110616 /nfs/dbraw/zinc/11/06/16/286110616.db2.gz FBHARHCJDPIIDI-GJZGRUSLSA-N 2 1 264.413 2.160 20 0 CEADMP CC[C@H](NC[C@@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000310784124 289279421 /nfs/dbraw/zinc/27/94/21/289279421.db2.gz GCIMMOHWGOHDPK-CABCVRRESA-N 2 1 250.386 2.040 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)c1ccccc1 ZINC000310784124 289279424 /nfs/dbraw/zinc/27/94/24/289279424.db2.gz GCIMMOHWGOHDPK-CABCVRRESA-N 2 1 250.386 2.040 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000310784124 289279427 /nfs/dbraw/zinc/27/94/27/289279427.db2.gz GCIMMOHWGOHDPK-CABCVRRESA-N 2 1 250.386 2.040 20 0 CEADMP CC[C@H](NC[C@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000310784126 289279441 /nfs/dbraw/zinc/27/94/41/289279441.db2.gz GCIMMOHWGOHDPK-GJZGRUSLSA-N 2 1 250.386 2.040 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)c1ccccc1 ZINC000310784126 289279444 /nfs/dbraw/zinc/27/94/44/289279444.db2.gz GCIMMOHWGOHDPK-GJZGRUSLSA-N 2 1 250.386 2.040 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000310784126 289279445 /nfs/dbraw/zinc/27/94/45/289279445.db2.gz GCIMMOHWGOHDPK-GJZGRUSLSA-N 2 1 250.386 2.040 20 0 CEADMP Cc1nc(C)c([C@H](C)[NH2+]CCc2c[nH+]cn2C)s1 ZINC000401677111 289288461 /nfs/dbraw/zinc/28/84/61/289288461.db2.gz PAJPAAHQRZLDFE-VIFPVBQESA-N 2 1 264.398 2.387 20 0 CEADMP C[N@H+]1C[C@@H]2CN(Cc3cncnc3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360777816 155369096 /nfs/dbraw/zinc/36/90/96/155369096.db2.gz PSWYZPKGMRHBBM-SQNIBIBYSA-N 2 1 294.402 2.211 20 0 CEADMP C([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000193969216 153245029 /nfs/dbraw/zinc/24/50/29/153245029.db2.gz AMSVFGBAOIZXAD-MXASKKJJSA-N 2 1 290.451 2.408 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@H]3CCOC[C@H]3C)CC2)[nH+]c1 ZINC000195044048 153269479 /nfs/dbraw/zinc/26/94/79/153269479.db2.gz GCTFWANETPVKIN-ZBFHGGJFSA-N 2 1 289.423 2.373 20 0 CEADMP CC(C)n1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cn1 ZINC000226241475 153331011 /nfs/dbraw/zinc/33/10/11/153331011.db2.gz IKIVSQAVEIBLPV-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP C[C@@H](O)C[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000228068787 153353427 /nfs/dbraw/zinc/35/34/27/153353427.db2.gz AXYWYOCIWCQCIN-HZPDHXFCSA-N 2 1 290.451 2.443 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000351858821 154318490 /nfs/dbraw/zinc/31/84/90/154318490.db2.gz DUYRCHYPKLPXAF-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000351858821 154318498 /nfs/dbraw/zinc/31/84/98/154318498.db2.gz DUYRCHYPKLPXAF-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP Cc1cnn(C)c1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000352771190 154331875 /nfs/dbraw/zinc/33/18/75/154331875.db2.gz NEHBBMRHDQZCNC-ZIAGYGMSSA-N 2 1 278.444 2.186 20 0 CEADMP CCCC[NH+]1CCC([NH2+]Cc2c(C)cnn2C)CC1 ZINC000352777970 154338963 /nfs/dbraw/zinc/33/89/63/154338963.db2.gz DPQYTUYDLASECI-UHFFFAOYSA-N 2 1 264.417 2.083 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCC[NH+]1CCCC[C@H]1C ZINC000359413279 155006276 /nfs/dbraw/zinc/00/62/76/155006276.db2.gz UHGKJMCWHDICEW-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NCCC[N@@H+]1CCCC[C@H]1C ZINC000359413279 155006279 /nfs/dbraw/zinc/00/62/79/155006279.db2.gz UHGKJMCWHDICEW-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NCCC[N@H+]1CCCC[C@H]1C ZINC000359413279 155006283 /nfs/dbraw/zinc/00/62/83/155006283.db2.gz UHGKJMCWHDICEW-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC1(C)Cc2cc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)ccc2O1 ZINC000359458065 155018976 /nfs/dbraw/zinc/01/89/76/155018976.db2.gz KQEGRQDGVGAYSS-HUUCEWRRSA-N 2 1 272.392 2.051 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCCCF ZINC000367072964 156126248 /nfs/dbraw/zinc/12/62/48/156126248.db2.gz IDMNFLWMBORAPA-RBSFLKMASA-N 2 1 272.408 2.310 20 0 CEADMP OC[C@H]1C[N@@H+](CCCn2ccnc2)CC[C@H]1c1ccccc1 ZINC000367231966 156153594 /nfs/dbraw/zinc/15/35/94/156153594.db2.gz RXGMDPOTOUXPOM-MSOLQXFVSA-N 2 1 299.418 2.371 20 0 CEADMP COC(=O)[C@@H]1C[N@@H+](CCCc2cnccc2C)CC1(C)C ZINC000367316608 156165164 /nfs/dbraw/zinc/16/51/64/156165164.db2.gz DSDCUPBKBKNIJB-HNNXBMFYSA-N 2 1 290.407 2.454 20 0 CEADMP COc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367612654 156211908 /nfs/dbraw/zinc/21/19/08/156211908.db2.gz DSOAPSCQYMIXNX-KFWWJZLASA-N 2 1 275.396 2.053 20 0 CEADMP COc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367612654 156211910 /nfs/dbraw/zinc/21/19/10/156211910.db2.gz DSOAPSCQYMIXNX-KFWWJZLASA-N 2 1 275.396 2.053 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000367601225 156213878 /nfs/dbraw/zinc/21/38/78/156213878.db2.gz NBVKWHNKLGBLJX-MJBXVCDLSA-N 2 1 265.426 2.414 20 0 CEADMP CCCCC[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367670385 156220764 /nfs/dbraw/zinc/22/07/64/156220764.db2.gz FHQZPVZOARPLGD-INIZCTEOSA-N 2 1 267.461 2.136 20 0 CEADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc2c(c1)OCO2 ZINC000368106022 156287478 /nfs/dbraw/zinc/28/74/78/156287478.db2.gz ZVXXQWAJUWAHCE-JQWIXIFHSA-N 2 1 285.347 2.347 20 0 CEADMP CC[C@H](C)[N@H+](C)CCNc1cncc(-n2cc[nH+]c2C)n1 ZINC000368185436 156300525 /nfs/dbraw/zinc/30/05/25/156300525.db2.gz SLRJQYMPECMBQA-LBPRGKRZSA-N 2 1 288.399 2.113 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNc1cncc(-n2cc[nH+]c2C)n1 ZINC000368185436 156300527 /nfs/dbraw/zinc/30/05/27/156300527.db2.gz SLRJQYMPECMBQA-LBPRGKRZSA-N 2 1 288.399 2.113 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C1(C)C ZINC000368451644 156346414 /nfs/dbraw/zinc/34/64/14/156346414.db2.gz XFKQALFDXDNOAX-MELADBBJSA-N 2 1 277.412 2.239 20 0 CEADMP COCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374880746 157024420 /nfs/dbraw/zinc/02/44/20/157024420.db2.gz MPNCSKHESLCRLU-HOCLYGCPSA-N 2 1 262.397 2.133 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N(C)CCC[NH+]2CCCC2)n1 ZINC000375629109 157114888 /nfs/dbraw/zinc/11/48/88/157114888.db2.gz PKDBCNICVALXPP-UHFFFAOYSA-N 2 1 299.422 2.498 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nccn2C(F)F)[C@@H]2CCC[C@@H]21 ZINC000375897186 157160494 /nfs/dbraw/zinc/16/04/94/157160494.db2.gz DZNHODYSOIWPGX-SRVKXCTJSA-N 2 1 284.354 2.241 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2nccn2C(F)F)[C@@H]2CCC[C@@H]21 ZINC000375897186 157160497 /nfs/dbraw/zinc/16/04/97/157160497.db2.gz DZNHODYSOIWPGX-SRVKXCTJSA-N 2 1 284.354 2.241 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCCCCO ZINC000376549368 157243834 /nfs/dbraw/zinc/24/38/34/157243834.db2.gz XGZFYIANAPNKCM-IXDOHACOSA-N 2 1 298.471 2.018 20 0 CEADMP CC[N@@H+](CCNC(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC000156131205 162308384 /nfs/dbraw/zinc/30/83/84/162308384.db2.gz VDCLEAYOFGUSNQ-UHFFFAOYSA-N 2 1 291.439 2.208 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cnn(C)c1 ZINC000165270973 162343593 /nfs/dbraw/zinc/34/35/93/162343593.db2.gz VCTJNKPAUUHHSK-DZGCQCFKSA-N 2 1 264.417 2.193 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000168621273 162365921 /nfs/dbraw/zinc/36/59/21/162365921.db2.gz NFVZKBSARLWPMG-ZFWWWQNUSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000169195476 165036022 /nfs/dbraw/zinc/03/60/22/165036022.db2.gz WBDDLKOHOGHBHW-QWHCGFSZSA-N 2 1 266.360 2.264 20 0 CEADMP c1cc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n[nH]1 ZINC000179267950 165276260 /nfs/dbraw/zinc/27/62/60/165276260.db2.gz LLUPFMBNVZKFMN-CQSZACIVSA-N 2 1 262.401 2.075 20 0 CEADMP c1cc([C@@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)n[nH]1 ZINC000179267950 165276263 /nfs/dbraw/zinc/27/62/63/165276263.db2.gz LLUPFMBNVZKFMN-CQSZACIVSA-N 2 1 262.401 2.075 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000020137696 171025176 /nfs/dbraw/zinc/02/51/76/171025176.db2.gz MPDRNOJOMPFPRY-OAHLLOKOSA-N 2 1 290.407 2.290 20 0 CEADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc(OC)c1 ZINC000037408301 173184582 /nfs/dbraw/zinc/18/45/82/173184582.db2.gz MLHPYQANPYSCOK-CYBMUJFWSA-N 2 1 290.407 2.278 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000040593346 174347553 /nfs/dbraw/zinc/34/75/53/174347553.db2.gz JVBLSDTYOAOMGC-AWEZNQCLSA-N 2 1 260.381 2.053 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000040593346 174347554 /nfs/dbraw/zinc/34/75/54/174347554.db2.gz JVBLSDTYOAOMGC-AWEZNQCLSA-N 2 1 260.381 2.053 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000653872260 414763892 /nfs/dbraw/zinc/76/38/92/414763892.db2.gz SGEBZDVQICNRLX-YPMHNXCESA-N 2 1 278.387 2.103 20 0 CEADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@H]1CCCCO1 ZINC000653874168 414767011 /nfs/dbraw/zinc/76/70/11/414767011.db2.gz CCMFFYOAGRRBND-SOUVJXGZSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)O[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000404647858 414789239 /nfs/dbraw/zinc/78/92/39/414789239.db2.gz PDIQWUHURPGNSP-HUUCEWRRSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)O[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000404504791 414787200 /nfs/dbraw/zinc/78/72/00/414787200.db2.gz AWLGHAJOHULAIH-QLFBSQMISA-N 2 1 254.418 2.264 20 0 CEADMP CCO[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2F)C[C@H]1C[NH3+] ZINC000405534412 414795838 /nfs/dbraw/zinc/79/58/38/414795838.db2.gz OGMVMCWUDBNSND-YWPYICTPSA-N 2 1 266.360 2.182 20 0 CEADMP CCO[C@@H]1C[N@H+]([C@@H](C)c2ccccc2F)C[C@H]1C[NH3+] ZINC000405534412 414795842 /nfs/dbraw/zinc/79/58/42/414795842.db2.gz OGMVMCWUDBNSND-YWPYICTPSA-N 2 1 266.360 2.182 20 0 CEADMP CCO[C@@H]1C[N@@H+](C[C@H]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000405833817 414796585 /nfs/dbraw/zinc/79/65/85/414796585.db2.gz BVNYDLAKOVGPCA-BYNSBNAKSA-N 2 1 254.418 2.108 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2CC)C[C@H]1C[NH3+] ZINC000405545997 414797068 /nfs/dbraw/zinc/79/70/68/414797068.db2.gz WJPQIHVCMXCCTI-HZPDHXFCSA-N 2 1 262.397 2.045 20 0 CEADMP C[C@@H]1CN(C)c2ccccc2C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420322149 414806096 /nfs/dbraw/zinc/80/60/96/414806096.db2.gz SGRYCWTZOZQOPE-CABCVRRESA-N 2 1 273.424 2.327 20 0 CEADMP Cc1ccc(C)c(CN(C)C[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000660414877 414808400 /nfs/dbraw/zinc/80/84/00/414808400.db2.gz RRHDKGUORKOFSB-QGZVFWFLSA-N 2 1 278.440 2.436 20 0 CEADMP C[C@@H]1CCCC[C@H]1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000660419052 414812173 /nfs/dbraw/zinc/81/21/73/414812173.db2.gz GLKWYMDQVBRPFN-KGLIPLIRSA-N 2 1 262.401 2.358 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)CCO1 ZINC000132076439 414820937 /nfs/dbraw/zinc/82/09/37/414820937.db2.gz WDTHTMGZKAHXAM-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP CO[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C1CCCCC1 ZINC000660439461 414821089 /nfs/dbraw/zinc/82/10/89/414821089.db2.gz ZYELEKWRWIDGML-OWCLPIDISA-N 2 1 266.429 2.075 20 0 CEADMP CO[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)C1CCCCC1 ZINC000660439461 414821092 /nfs/dbraw/zinc/82/10/92/414821092.db2.gz ZYELEKWRWIDGML-OWCLPIDISA-N 2 1 266.429 2.075 20 0 CEADMP CO[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)C1CCCCC1 ZINC000660439461 414821095 /nfs/dbraw/zinc/82/10/95/414821095.db2.gz ZYELEKWRWIDGML-OWCLPIDISA-N 2 1 266.429 2.075 20 0 CEADMP CCC1CCC([N@H+](C)C[C@@H](O)C[NH+](C)CC)CC1 ZINC000310802542 414858353 /nfs/dbraw/zinc/85/83/53/414858353.db2.gz AUQFOBCTSZGLOA-NRXISQOPSA-N 2 1 256.434 2.200 20 0 CEADMP CCC1CCC([N@@H+](C)C[C@@H](O)C[NH+](C)CC)CC1 ZINC000310802542 414858360 /nfs/dbraw/zinc/85/83/60/414858360.db2.gz AUQFOBCTSZGLOA-NRXISQOPSA-N 2 1 256.434 2.200 20 0 CEADMP CCC1CCC([NH+](C)C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000310802542 414858367 /nfs/dbraw/zinc/85/83/67/414858367.db2.gz AUQFOBCTSZGLOA-NRXISQOPSA-N 2 1 256.434 2.200 20 0 CEADMP CCC1CCC([NH+](C)C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000310802542 414858373 /nfs/dbraw/zinc/85/83/73/414858373.db2.gz AUQFOBCTSZGLOA-NRXISQOPSA-N 2 1 256.434 2.200 20 0 CEADMP COC1(CC[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)CCC1 ZINC000310893955 414859124 /nfs/dbraw/zinc/85/91/24/414859124.db2.gz VELIGZGNHLQOTG-CQSZACIVSA-N 2 1 254.418 2.408 20 0 CEADMP COC1(CC[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)CCC1 ZINC000310893955 414859127 /nfs/dbraw/zinc/85/91/27/414859127.db2.gz VELIGZGNHLQOTG-CQSZACIVSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1ccc2cc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)[nH]c2c1 ZINC000657325061 414859602 /nfs/dbraw/zinc/85/96/02/414859602.db2.gz FZCVOUBATHUJAV-INIZCTEOSA-N 2 1 287.407 2.023 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653110668 414909132 /nfs/dbraw/zinc/90/91/32/414909132.db2.gz QHGBRLDRQWCJHW-JKSUJKDBSA-N 2 1 295.471 2.004 20 0 CEADMP CO[C@@H](C[NH+]1CCC(CO)([NH2+]C(C)C)CC1)C1CCCC1 ZINC000660676881 414929612 /nfs/dbraw/zinc/92/96/12/414929612.db2.gz NGUNCMJBGNRCKB-INIZCTEOSA-N 2 1 298.471 2.017 20 0 CEADMP c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCOC3)CC2)cc1 ZINC000660677315 414930648 /nfs/dbraw/zinc/93/06/48/414930648.db2.gz YOMOMAMQFFNZPM-KRWDZBQOSA-N 2 1 274.408 2.420 20 0 CEADMP CC/C=C/CC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660697685 414938832 /nfs/dbraw/zinc/93/88/32/414938832.db2.gz IOZUVOAMSWKRQG-AATRIKPKSA-N 2 1 268.445 2.415 20 0 CEADMP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000660699726 414939561 /nfs/dbraw/zinc/93/95/61/414939561.db2.gz YQRQALUKKAUFJO-HNNXBMFYSA-N 2 1 298.471 2.017 20 0 CEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000663513199 414978941 /nfs/dbraw/zinc/97/89/41/414978941.db2.gz JPGMXZIUSPDURF-VXGBXAGGSA-N 2 1 260.385 2.082 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000653200726 414944500 /nfs/dbraw/zinc/94/45/00/414944500.db2.gz NRXXKFGUOHMHLM-KRWDZBQOSA-N 2 1 295.471 2.147 20 0 CEADMP CC[C@@H]1C[N@@H+](CC)CCN1CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000660734991 414951419 /nfs/dbraw/zinc/95/14/19/414951419.db2.gz GLBQRFUBBHVYOI-YESZJQIVSA-N 2 1 281.488 2.380 20 0 CEADMP C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463587 414959985 /nfs/dbraw/zinc/95/99/85/414959985.db2.gz AGSIVTGJUCHMIY-MRXNPFEDSA-N 2 1 291.483 2.325 20 0 CEADMP C([NH2+]C1CCN(C2CC2)CC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663463587 414959988 /nfs/dbraw/zinc/95/99/88/414959988.db2.gz AGSIVTGJUCHMIY-MRXNPFEDSA-N 2 1 291.483 2.325 20 0 CEADMP C([NH2+]C1CCN(C2CC2)CC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463587 414959992 /nfs/dbraw/zinc/95/99/92/414959992.db2.gz AGSIVTGJUCHMIY-MRXNPFEDSA-N 2 1 291.483 2.325 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cn[nH]c1 ZINC000663465972 414963960 /nfs/dbraw/zinc/96/39/60/414963960.db2.gz MLGGVFZMAPUPKE-GXTWGEPZSA-N 2 1 262.401 2.182 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cn[nH]c1 ZINC000663465972 414963966 /nfs/dbraw/zinc/96/39/66/414963966.db2.gz MLGGVFZMAPUPKE-GXTWGEPZSA-N 2 1 262.401 2.182 20 0 CEADMP CC1(C)C[C@H]([NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)c2cc(N)ccc2O1 ZINC000663496245 414969534 /nfs/dbraw/zinc/96/95/34/414969534.db2.gz FFNGKWQCFJMYCZ-WHCBVINPSA-N 2 1 287.407 2.070 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000653608363 415051680 /nfs/dbraw/zinc/05/16/80/415051680.db2.gz NXBIFWDZTLDXKS-RDJZCZTQSA-N 2 1 292.423 2.049 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000653608363 415051681 /nfs/dbraw/zinc/05/16/81/415051681.db2.gz NXBIFWDZTLDXKS-RDJZCZTQSA-N 2 1 292.423 2.049 20 0 CEADMP C[C@H](CCN1CC[NH+](C)CC1)Nc1[nH+]ccc2[nH]ccc21 ZINC000663812248 415055045 /nfs/dbraw/zinc/05/50/45/415055045.db2.gz LFTXSYHBMNNQRF-CYBMUJFWSA-N 2 1 287.411 2.001 20 0 CEADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+]CCCc1c[nH+]cn1C ZINC000653618224 415055434 /nfs/dbraw/zinc/05/54/34/415055434.db2.gz WRFUQPYDHYCWLG-PBHICJAKSA-N 2 1 287.407 2.107 20 0 CEADMP c1cc2c(cc[nH+]c2N[C@H]2CCn3cc[nH+]c3C2)[nH]1 ZINC000663819551 415059278 /nfs/dbraw/zinc/05/92/78/415059278.db2.gz DEQWTQUGJFPFIE-JTQLQIEISA-N 2 1 253.309 2.186 20 0 CEADMP Cc1sccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657753256 415068298 /nfs/dbraw/zinc/06/82/98/415068298.db2.gz VXQSMWDFAUDOFD-OAHLLOKOSA-N 2 1 280.437 2.399 20 0 CEADMP CC1(C)OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657787063 415079036 /nfs/dbraw/zinc/07/90/36/415079036.db2.gz QXPGRMMWKKWYIQ-MGPQQGTHSA-N 2 1 252.402 2.018 20 0 CEADMP Cn1cncc1CCC[N@H+]1CC(C)(C)OCC1(C)C ZINC000653556769 415032875 /nfs/dbraw/zinc/03/28/75/415032875.db2.gz IOYPQZIFHLBASX-UHFFFAOYSA-N 2 1 265.401 2.242 20 0 CEADMP Fc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000657675611 415044638 /nfs/dbraw/zinc/04/46/38/415044638.db2.gz XYDVZKGEDRPTTK-XHSDSOJGSA-N 2 1 290.382 2.346 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000657838738 415101100 /nfs/dbraw/zinc/10/11/00/415101100.db2.gz XTAKBKSATKBMJH-YESZJQIVSA-N 2 1 296.455 2.035 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000657838738 415101103 /nfs/dbraw/zinc/10/11/03/415101103.db2.gz XTAKBKSATKBMJH-YESZJQIVSA-N 2 1 296.455 2.035 20 0 CEADMP c1cc2n(n1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000657858198 415106856 /nfs/dbraw/zinc/10/68/56/415106856.db2.gz YRUWMUQOMSKPLG-OAHLLOKOSA-N 2 1 274.412 2.325 20 0 CEADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000657875265 415110992 /nfs/dbraw/zinc/11/09/92/415110992.db2.gz IMSRQKVDYFALRZ-HUUCEWRRSA-N 2 1 284.831 2.173 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000044762203 175246295 /nfs/dbraw/zinc/24/62/95/175246295.db2.gz BLFQCDMAYICPKP-CQSZACIVSA-N 2 1 283.460 2.132 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCOC1 ZINC000658229489 415264916 /nfs/dbraw/zinc/26/49/16/415264916.db2.gz RYUQAWZQHXNDHZ-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCOC1 ZINC000658229489 415264920 /nfs/dbraw/zinc/26/49/20/415264920.db2.gz RYUQAWZQHXNDHZ-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOC2(C)C)[C@H](C)C1 ZINC000658328290 415319092 /nfs/dbraw/zinc/31/90/92/415319092.db2.gz AFWXNNLMCZGLST-MCIONIFRSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000655695294 415393290 /nfs/dbraw/zinc/39/32/90/415393290.db2.gz WJZATRSABPUVHT-MJBXVCDLSA-N 2 1 260.385 2.062 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655695294 415393297 /nfs/dbraw/zinc/39/32/97/415393297.db2.gz WJZATRSABPUVHT-MJBXVCDLSA-N 2 1 260.385 2.062 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000659025109 415393670 /nfs/dbraw/zinc/39/36/70/415393670.db2.gz NKRVPCIGJYJZMP-AWEZNQCLSA-N 2 1 290.411 2.060 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CS1 ZINC000655697944 415394642 /nfs/dbraw/zinc/39/46/42/415394642.db2.gz SFBNXWQZNSDUTJ-DGCLKSJQSA-N 2 1 254.443 2.487 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CS1 ZINC000655693962 415395640 /nfs/dbraw/zinc/39/56/40/415395640.db2.gz BKCLNIPGYBWFKD-RFGFWPKPSA-N 2 1 254.443 2.487 20 0 CEADMP C1=CC[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655700543 415398229 /nfs/dbraw/zinc/39/82/29/415398229.db2.gz MIYUOPIRFIASCY-ZBFHGGJFSA-N 2 1 264.413 2.186 20 0 CEADMP CCC(CC)[C@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655711671 415405513 /nfs/dbraw/zinc/40/55/13/415405513.db2.gz KTFNMTANHXTCJH-DLBZAZTESA-N 2 1 298.471 2.017 20 0 CEADMP CCCC(O)(CCC)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655728617 415415928 /nfs/dbraw/zinc/41/59/28/415415928.db2.gz WSWNARAXXLGKTI-INIZCTEOSA-N 2 1 298.471 2.161 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCCO1 ZINC000655736652 415422464 /nfs/dbraw/zinc/42/24/64/415422464.db2.gz GRPGOSICHULXCN-IXDOHACOSA-N 2 1 296.455 2.177 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCCCO1 ZINC000655747635 415428587 /nfs/dbraw/zinc/42/85/87/415428587.db2.gz IHSPGWAOUHURLY-BHYGNILZSA-N 2 1 296.455 2.177 20 0 CEADMP C[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661856143 415501533 /nfs/dbraw/zinc/50/15/33/415501533.db2.gz GXOIUCWKMKVFHN-NCOADZHNSA-N 2 1 298.471 2.375 20 0 CEADMP CC1(C)C[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655741111 415431695 /nfs/dbraw/zinc/43/16/95/415431695.db2.gz FIXIRSAUNFRLIH-KGLIPLIRSA-N 2 1 252.402 2.018 20 0 CEADMP C(C[C@@H]1CCCCO1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655752548 415434471 /nfs/dbraw/zinc/43/44/71/415434471.db2.gz ZWKCYNDQSBTLRU-DLBZAZTESA-N 2 1 296.455 2.179 20 0 CEADMP CC(C)OCCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655750495 415434546 /nfs/dbraw/zinc/43/45/46/415434546.db2.gz BLPPEGRKPHEYAV-INIZCTEOSA-N 2 1 284.444 2.035 20 0 CEADMP COCC(C)(C)CCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655768000 415449056 /nfs/dbraw/zinc/44/90/56/415449056.db2.gz BVUKVHCHKVRQBB-MRXNPFEDSA-N 2 1 298.471 2.282 20 0 CEADMP CC[C@H]1C[N@@H+](CCc2noc3ccccc32)CC[C@H]1[NH3+] ZINC000655939377 415558485 /nfs/dbraw/zinc/55/84/85/415558485.db2.gz OKVWXLSZBUUYBB-GXTWGEPZSA-N 2 1 273.380 2.430 20 0 CEADMP CC(C)(CC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C1CC1 ZINC000655941599 415559571 /nfs/dbraw/zinc/55/95/71/415559571.db2.gz XWTQRRBFPMOHRK-HNNXBMFYSA-N 2 1 280.456 2.500 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@H]1CC[NH2+]C1 ZINC000655948833 415563920 /nfs/dbraw/zinc/56/39/20/415563920.db2.gz FOSNMTHMKZXDMT-NSHDSACASA-N 2 1 284.306 2.049 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@H]1CC[NH2+]C1 ZINC000655948833 415563927 /nfs/dbraw/zinc/56/39/27/415563927.db2.gz FOSNMTHMKZXDMT-NSHDSACASA-N 2 1 284.306 2.049 20 0 CEADMP CC(C)NC(=O)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000662118336 415632766 /nfs/dbraw/zinc/63/27/66/415632766.db2.gz ANKIYQRVXFTIHH-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000665236081 415638148 /nfs/dbraw/zinc/63/81/48/415638148.db2.gz GZBIABHGUXWJKY-YHUYYLMFSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@H]1CCOC1 ZINC000665251422 415651578 /nfs/dbraw/zinc/65/15/78/415651578.db2.gz OUZMJZKAEGSDOD-QMCVQRASSA-N 2 1 274.408 2.147 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@H]1CCOC1 ZINC000665254053 415651761 /nfs/dbraw/zinc/65/17/61/415651761.db2.gz GVQHANXILFBMHO-GUDXXQAFSA-N 2 1 292.398 2.286 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000665246482 415648129 /nfs/dbraw/zinc/64/81/29/415648129.db2.gz GNFLOJVYNDPCRQ-ZDUSSCGKSA-N 2 1 289.423 2.311 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C2CCC2)C1 ZINC000662044654 415595317 /nfs/dbraw/zinc/59/53/17/415595317.db2.gz RUSMMRQNJIPIJQ-CVEARBPZSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662044654 415595321 /nfs/dbraw/zinc/59/53/21/415595321.db2.gz RUSMMRQNJIPIJQ-CVEARBPZSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662044654 415595325 /nfs/dbraw/zinc/59/53/25/415595325.db2.gz RUSMMRQNJIPIJQ-CVEARBPZSA-N 2 1 268.445 2.200 20 0 CEADMP c1[nH+]c(NC2CC[NH+]([C@@H]3CCOC3)CC2)cc2c1CCC2 ZINC000656263061 415664954 /nfs/dbraw/zinc/66/49/54/415664954.db2.gz ZHCRRGPCGGBGDI-MRXNPFEDSA-N 2 1 287.407 2.236 20 0 CEADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000665274999 415666781 /nfs/dbraw/zinc/66/67/81/415666781.db2.gz AJUMCNWVKOJZSC-NWANDNLSSA-N 2 1 254.418 2.312 20 0 CEADMP CCc1ccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665291040 415679455 /nfs/dbraw/zinc/67/94/55/415679455.db2.gz SAPDNMQAHMICCL-NSHDSACASA-N 2 1 286.379 2.054 20 0 CEADMP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000665290730 415680304 /nfs/dbraw/zinc/68/03/04/415680304.db2.gz IZDBJWHDHTVRBE-VIFPVBQESA-N 2 1 292.770 2.145 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299328 415685484 /nfs/dbraw/zinc/68/54/84/415685484.db2.gz KQLWCRXUJQSHCG-ZACQAIPSSA-N 3 1 279.472 2.358 20 0 CEADMP C[NH2+]C[C@@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000665297950 415686378 /nfs/dbraw/zinc/68/63/78/415686378.db2.gz OYYORGZTWOYXSX-NRSFXHEJSA-N 2 1 287.451 2.380 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662255861 415719057 /nfs/dbraw/zinc/71/90/57/415719057.db2.gz FNOUQHXQGUNRCT-GZBFAFLISA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254959 415721651 /nfs/dbraw/zinc/72/16/51/415721651.db2.gz MZOSIDPFPPXSND-BARDWOONSA-N 2 1 264.413 2.160 20 0 CEADMP CCn1cc(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)cn1 ZINC000662262080 415728401 /nfs/dbraw/zinc/72/84/01/415728401.db2.gz DOTRAMDBTCXGTH-UHFFFAOYSA-N 2 1 284.407 2.181 20 0 CEADMP COc1cccc(SCC[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000662266849 415731042 /nfs/dbraw/zinc/73/10/42/415731042.db2.gz PNPYEPCODAWKDY-CHWSQXEVSA-N 2 1 280.437 2.456 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1)C1CCCCC1 ZINC000662265823 415731090 /nfs/dbraw/zinc/73/10/90/415731090.db2.gz JBADSXUKPIMFQA-NWANDNLSSA-N 2 1 254.418 2.251 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC000662265239 415732932 /nfs/dbraw/zinc/73/29/32/415732932.db2.gz GREVYYYWPHLCDH-IACUBPJLSA-N 2 1 261.369 2.111 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC000662265239 415732936 /nfs/dbraw/zinc/73/29/36/415732936.db2.gz GREVYYYWPHLCDH-IACUBPJLSA-N 2 1 261.369 2.111 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)C1CCCCC1 ZINC000662242614 415704817 /nfs/dbraw/zinc/70/48/17/415704817.db2.gz CTXSXIFVNXTWEN-BPLDGKMQSA-N 2 1 254.418 2.251 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000662245088 415706631 /nfs/dbraw/zinc/70/66/31/415706631.db2.gz HPKBXMRJQGNRAG-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249460 415709567 /nfs/dbraw/zinc/70/95/67/415709567.db2.gz NZWUEXIPBHNTHC-OAHLLOKOSA-N 2 1 260.381 2.030 20 0 CEADMP CC(C)[N@H+](Cc1cccs1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250744 415714372 /nfs/dbraw/zinc/71/43/72/415714372.db2.gz NEPBIXSXZMKFQL-ZDUSSCGKSA-N 2 1 280.437 2.480 20 0 CEADMP Fc1cccc([C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662250880 415714918 /nfs/dbraw/zinc/71/49/18/415714918.db2.gz QTISBYPQIARFQF-HZPDHXFCSA-N 2 1 290.382 2.484 20 0 CEADMP CCc1nocc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662273242 415739499 /nfs/dbraw/zinc/73/94/99/415739499.db2.gz KSARYJBHAQMGHK-ZIAGYGMSSA-N 2 1 277.412 2.449 20 0 CEADMP CN(c1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cs1)C1CC1 ZINC000662273427 415739724 /nfs/dbraw/zinc/73/97/24/415739724.db2.gz WUWWHHXNVSRMMV-LBPRGKRZSA-N 2 1 294.468 2.303 20 0 CEADMP CO[C@H](C[N@H+](C)C1(C[NH3+])CCC1)C1CCCCC1 ZINC000662273318 415739852 /nfs/dbraw/zinc/73/98/52/415739852.db2.gz LQUWMYKIZONZJV-CQSZACIVSA-N 2 1 254.418 2.395 20 0 CEADMP CO[C@H](C[N@@H+](C)C1(C[NH3+])CCC1)C1CCCCC1 ZINC000662273318 415739858 /nfs/dbraw/zinc/73/98/58/415739858.db2.gz LQUWMYKIZONZJV-CQSZACIVSA-N 2 1 254.418 2.395 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCCC2CCC2)CC12CCOCC2 ZINC000662274912 415741845 /nfs/dbraw/zinc/74/18/45/415741845.db2.gz YLIQJKBIMQEJMT-OAHLLOKOSA-N 2 1 266.429 2.254 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000662276836 415743590 /nfs/dbraw/zinc/74/35/90/415743590.db2.gz LNMQPDHPEIQYHV-CVEARBPZSA-N 2 1 266.429 2.267 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C1CCCC1 ZINC000662278519 415745041 /nfs/dbraw/zinc/74/50/41/415745041.db2.gz ZCTLQASJCNXYSV-AYRXBEOTSA-N 2 1 254.418 2.168 20 0 CEADMP CCC1(O)CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000656516294 415745528 /nfs/dbraw/zinc/74/55/28/415745528.db2.gz OXGKHJNFFLXJAV-UHFFFAOYSA-N 2 1 266.429 2.287 20 0 CEADMP c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c2c(c1)C[NH2+]CC2 ZINC000662277957 415746750 /nfs/dbraw/zinc/74/67/50/415746750.db2.gz YMIFNCXWDAAPQC-QFBILLFUSA-N 3 1 299.462 2.296 20 0 CEADMP c1cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c2c(c1)C[NH2+]CC2 ZINC000662277957 415746752 /nfs/dbraw/zinc/74/67/52/415746752.db2.gz YMIFNCXWDAAPQC-QFBILLFUSA-N 2 1 299.462 2.296 20 0 CEADMP CC(C)[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662280141 415747114 /nfs/dbraw/zinc/74/71/14/415747114.db2.gz YAVXUDAXDINZIO-QGZVFWFLSA-N 2 1 274.408 2.189 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C)C1CCCCC1 ZINC000662282993 415748005 /nfs/dbraw/zinc/74/80/05/415748005.db2.gz FSLKBPOVEFAUAP-AEGPPILISA-N 2 1 254.418 2.393 20 0 CEADMP O[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](n3ccnc3)C2)C1 ZINC000659882252 415760667 /nfs/dbraw/zinc/76/06/67/415760667.db2.gz FRUPOEFSEVKWIQ-SOUVJXGZSA-N 2 1 263.385 2.071 20 0 CEADMP CO[C@H](C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C1CCC1 ZINC000662284064 415752439 /nfs/dbraw/zinc/75/24/39/415752439.db2.gz SQWVRLYABDNXHW-DZGCQCFKSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1nocc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292703 415755980 /nfs/dbraw/zinc/75/59/80/415755980.db2.gz HULPOVWIYZUGIF-AWEZNQCLSA-N 2 1 263.385 2.195 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(c2ccccc2)C1 ZINC000659997949 415838939 /nfs/dbraw/zinc/83/89/39/415838939.db2.gz VPTLYAUDAIRTRP-ROUUACIJSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(c2ccccc2)C1 ZINC000659997949 415838946 /nfs/dbraw/zinc/83/89/46/415838946.db2.gz VPTLYAUDAIRTRP-ROUUACIJSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000659997949 415838948 /nfs/dbraw/zinc/83/89/48/415838948.db2.gz VPTLYAUDAIRTRP-ROUUACIJSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000659997949 415838953 /nfs/dbraw/zinc/83/89/53/415838953.db2.gz VPTLYAUDAIRTRP-ROUUACIJSA-N 2 1 290.451 2.351 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)s1 ZINC000662319979 415779437 /nfs/dbraw/zinc/77/94/37/415779437.db2.gz NUUUGVXFQACVCJ-CQSZACIVSA-N 2 1 297.468 2.303 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)s1 ZINC000662319979 415779446 /nfs/dbraw/zinc/77/94/46/415779446.db2.gz NUUUGVXFQACVCJ-CQSZACIVSA-N 2 1 297.468 2.303 20 0 CEADMP CO[C@@H](C[N@@H+](C)CC1CC[NH+](C)CC1)C1CCCC1 ZINC000659921721 415781625 /nfs/dbraw/zinc/78/16/25/415781625.db2.gz XQNOVIFFYFCNEL-INIZCTEOSA-N 2 1 268.445 2.465 20 0 CEADMP COCC1([NH2+]CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC000662341668 415791244 /nfs/dbraw/zinc/79/12/44/415791244.db2.gz RZRNQQXTTVYZTD-CQSZACIVSA-N 2 1 254.418 2.410 20 0 CEADMP CC[C@@H](CC(F)F)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000659931485 415791505 /nfs/dbraw/zinc/79/15/05/415791505.db2.gz PPEJNWRIQYNVEV-ZDUSSCGKSA-N 2 1 292.414 2.446 20 0 CEADMP CC(C)CNC(=O)CCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000659959855 415809631 /nfs/dbraw/zinc/80/96/31/415809631.db2.gz FUNADZOGRRMTAA-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)CNC(=O)CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000659959855 415809638 /nfs/dbraw/zinc/80/96/38/415809638.db2.gz FUNADZOGRRMTAA-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)CNC(=O)CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000659959855 415809645 /nfs/dbraw/zinc/80/96/45/415809645.db2.gz FUNADZOGRRMTAA-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000662386479 415819960 /nfs/dbraw/zinc/81/99/60/415819960.db2.gz ASPSRPIJFKJTTL-JYJNAYRXSA-N 2 1 297.487 2.234 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC000659978483 415823935 /nfs/dbraw/zinc/82/39/35/415823935.db2.gz CRSODZYUWKPYFE-IRXDYDNUSA-N 2 1 298.471 2.234 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000662403148 415826229 /nfs/dbraw/zinc/82/62/29/415826229.db2.gz JLBURUXTOXGJSH-PMPSAXMXSA-N 2 1 297.487 2.234 20 0 CEADMP C[C@H]1CC[C@@](C)(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1(C)C ZINC000656707078 415827618 /nfs/dbraw/zinc/82/76/18/415827618.db2.gz UCTWLDJVKGWDRA-QRTARXTBSA-N 2 1 282.472 2.494 20 0 CEADMP C[C@H]1CC[C@@](C)(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1(C)C ZINC000656707078 415827622 /nfs/dbraw/zinc/82/76/22/415827622.db2.gz UCTWLDJVKGWDRA-QRTARXTBSA-N 2 1 282.472 2.494 20 0 CEADMP CC[C@@H]([NH2+]C)C(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000662582911 415893077 /nfs/dbraw/zinc/89/30/77/415893077.db2.gz SEJBUJCKXNKSCO-OAHLLOKOSA-N 2 1 283.460 2.145 20 0 CEADMP CN(Cc1cnc[nH]1)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662585557 415894826 /nfs/dbraw/zinc/89/48/26/415894826.db2.gz JZTYOTHPRUWPCP-CQSZACIVSA-N 2 1 298.390 2.061 20 0 CEADMP CC[N@H+]1C[C@H](C)N(CC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC000660152978 415906088 /nfs/dbraw/zinc/90/60/88/415906088.db2.gz CKJKDQYZQZSMJD-NCOADZHNSA-N 2 1 281.488 2.379 20 0 CEADMP C[N@H+]1CC[C@H]2CCN(Cc3cnc4ccccc4n3)[C@H]2C1 ZINC000660225361 415930334 /nfs/dbraw/zinc/93/03/34/415930334.db2.gz OUMOAJASBDUMRY-GUYCJALGSA-N 2 1 282.391 2.156 20 0 CEADMP c1ncc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656786738 415861010 /nfs/dbraw/zinc/86/10/10/415861010.db2.gz XCQRAJAKXLIDFZ-CYBMUJFWSA-N 2 1 265.426 2.355 20 0 CEADMP Cn1cc(C[NH2+]CC2([NH3+])CCCC2)c(C(C)(C)C)n1 ZINC000656788982 415863641 /nfs/dbraw/zinc/86/36/41/415863641.db2.gz HNDABZAIFQVPHE-UHFFFAOYSA-N 2 1 264.417 2.079 20 0 CEADMP CC[C@H](NC[C@H](O)C[N@@H+](C)C(C)C)c1c(C)noc1C ZINC000660260491 415946049 /nfs/dbraw/zinc/94/60/49/415946049.db2.gz TYWUTIPHSIWGGA-KBPBESRZSA-N 2 1 283.416 2.033 20 0 CEADMP CC[C@@H](NC[C@@H](O)C[N@@H+](C)C(C)C)c1c(C)noc1C ZINC000660260494 415946130 /nfs/dbraw/zinc/94/61/30/415946130.db2.gz TYWUTIPHSIWGGA-ZIAGYGMSSA-N 2 1 283.416 2.033 20 0 CEADMP CN(C)c1cc(NC(=O)c2cccc3c2CC[NH2+]C3)cc[nH+]1 ZINC000662750999 415951245 /nfs/dbraw/zinc/95/12/45/415951245.db2.gz RFKXSXJSZOGDMC-UHFFFAOYSA-N 2 1 296.374 2.046 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662788937 415962473 /nfs/dbraw/zinc/96/24/73/415962473.db2.gz XRWNSUWLSZTSDK-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]([NH2+]C)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000662696194 415932068 /nfs/dbraw/zinc/93/20/68/415932068.db2.gz WCRRGCZDQLJUSF-MRXNPFEDSA-N 2 1 291.439 2.141 20 0 CEADMP c1c[nH+]c(N2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)[nH]1 ZINC000566415488 298978241 /nfs/dbraw/zinc/97/82/41/298978241.db2.gz ASRJEKHKJIPCMB-HOTGVXAUSA-N 2 1 282.391 2.335 20 0 CEADMP C[NH+](C)CCCC1CC[NH+](Cc2cocn2)CC1 ZINC000191946360 227653978 /nfs/dbraw/zinc/65/39/78/227653978.db2.gz SZCXDZWOOYFGDO-UHFFFAOYSA-N 2 1 251.374 2.228 20 0 CEADMP COCC[C@@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000347436035 292624344 /nfs/dbraw/zinc/62/43/44/292624344.db2.gz VZZUMBBQYHDKDQ-OAHLLOKOSA-N 2 1 298.471 2.425 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1nccn1Cc1ccccc1 ZINC000666743862 419411104 /nfs/dbraw/zinc/41/11/04/419411104.db2.gz IJGLPVLCTAVUPV-CVEARBPZSA-N 2 1 284.407 2.148 20 0 CEADMP O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000318399860 419480180 /nfs/dbraw/zinc/48/01/80/419480180.db2.gz TWHYSJROTMNHHF-UXLLHSPISA-N 2 1 299.418 2.156 20 0 CEADMP O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000318399860 419480189 /nfs/dbraw/zinc/48/01/89/419480189.db2.gz TWHYSJROTMNHHF-UXLLHSPISA-N 2 1 299.418 2.156 20 0 CEADMP O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000318399862 419480369 /nfs/dbraw/zinc/48/03/69/419480369.db2.gz TWHYSJROTMNHHF-ZOBUZTSGSA-N 2 1 299.418 2.156 20 0 CEADMP O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000318399862 419480377 /nfs/dbraw/zinc/48/03/77/419480377.db2.gz TWHYSJROTMNHHF-ZOBUZTSGSA-N 2 1 299.418 2.156 20 0 CEADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000133629073 419429851 /nfs/dbraw/zinc/42/98/51/419429851.db2.gz QKJSNRJYWNYSEA-CHWSQXEVSA-N 2 1 278.396 2.497 20 0 CEADMP Cn1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(C(C)(C)C)n1 ZINC000666996963 419506948 /nfs/dbraw/zinc/50/69/48/419506948.db2.gz NZDSVAHRXRSDBY-CQSZACIVSA-N 2 1 290.455 2.482 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(OC)c1 ZINC000666998247 419508538 /nfs/dbraw/zinc/50/85/38/419508538.db2.gz JLNXZSMYZOBJHW-CQSZACIVSA-N 2 1 290.407 2.468 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc(OC)c1 ZINC000666999416 419508647 /nfs/dbraw/zinc/50/86/47/419508647.db2.gz FTCZTWDBHUBEHC-CQSZACIVSA-N 2 1 290.407 2.468 20 0 CEADMP CC[N@@H+]1CC[C@H](N(C)Cc2c[nH+]c(C)n2C)C[C@@H]1C ZINC000667664687 419763155 /nfs/dbraw/zinc/76/31/55/419763155.db2.gz QSGJLHJIVZRTCO-JSGCOSHPSA-N 2 1 264.417 2.033 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2c[nH+]c(C)n2C)C[C@@H]1C ZINC000667664687 419763162 /nfs/dbraw/zinc/76/31/62/419763162.db2.gz QSGJLHJIVZRTCO-JSGCOSHPSA-N 2 1 264.417 2.033 20 0 CEADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000517758077 260220445 /nfs/dbraw/zinc/22/04/45/260220445.db2.gz YMBZDFUZZOPXHJ-CVEARBPZSA-N 2 1 280.456 2.415 20 0 CEADMP Cc1cccc(CC[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000449151322 260258523 /nfs/dbraw/zinc/25/85/23/260258523.db2.gz XHKIUQPRWVADLZ-SFHVURJKSA-N 2 1 290.451 2.364 20 0 CEADMP COc1cc(C)c(C[NH2+]CCC[NH+]2CCC2)cc1OC ZINC000517960269 260326712 /nfs/dbraw/zinc/32/67/12/260326712.db2.gz LBSGHIVSJUOZEO-UHFFFAOYSA-N 2 1 278.396 2.198 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCOCC1 ZINC000518055735 260339290 /nfs/dbraw/zinc/33/92/90/260339290.db2.gz YTXJITKCBOKYKG-DOTOQJQBSA-N 2 1 298.471 2.282 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCOCC1 ZINC000518055735 260339292 /nfs/dbraw/zinc/33/92/92/260339292.db2.gz YTXJITKCBOKYKG-DOTOQJQBSA-N 2 1 298.471 2.282 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000497187646 262089772 /nfs/dbraw/zinc/08/97/72/262089772.db2.gz QZPNOEWJSJYXDZ-OAHLLOKOSA-N 2 1 299.459 2.351 20 0 CEADMP CCOC(=O)N[C@@H](C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)CC(C)C ZINC000497215086 262108617 /nfs/dbraw/zinc/10/86/17/262108617.db2.gz PSHIKWKZTCCMPW-ILXRZTDVSA-N 2 1 299.459 2.267 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000188619030 262327270 /nfs/dbraw/zinc/32/72/70/262327270.db2.gz RXTIRTKXKSHVGG-AAEUAGOBSA-N 2 1 294.361 2.154 20 0 CEADMP CCOC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000521426719 262328451 /nfs/dbraw/zinc/32/84/51/262328451.db2.gz MLIILJTWPGHPQU-QGZVFWFLSA-N 2 1 294.439 2.014 20 0 CEADMP COC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000452075132 263034409 /nfs/dbraw/zinc/03/44/09/263034409.db2.gz ANTJSXWVRGUIFB-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000452075132 263034410 /nfs/dbraw/zinc/03/44/10/263034410.db2.gz ANTJSXWVRGUIFB-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000452075132 263034411 /nfs/dbraw/zinc/03/44/11/263034411.db2.gz ANTJSXWVRGUIFB-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP FC(F)n1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000414775330 263043790 /nfs/dbraw/zinc/04/37/90/263043790.db2.gz GLROHYCWGIGXRC-RYUDHWBXSA-N 2 1 284.354 2.100 20 0 CEADMP FC(F)n1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000414775330 263043791 /nfs/dbraw/zinc/04/37/91/263043791.db2.gz GLROHYCWGIGXRC-RYUDHWBXSA-N 2 1 284.354 2.100 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])cn1 ZINC000414774114 263043840 /nfs/dbraw/zinc/04/38/40/263043840.db2.gz YFXPEONDGCHTBZ-XJKSGUPXSA-N 2 1 261.413 2.382 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])cn1 ZINC000414774114 263043841 /nfs/dbraw/zinc/04/38/41/263043841.db2.gz YFXPEONDGCHTBZ-XJKSGUPXSA-N 2 1 261.413 2.382 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000430584440 263324808 /nfs/dbraw/zinc/32/48/08/263324808.db2.gz YZNUZGSWJHBEPJ-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000430584440 263324809 /nfs/dbraw/zinc/32/48/09/263324809.db2.gz YZNUZGSWJHBEPJ-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cncn1C(C)C ZINC000425386893 264220573 /nfs/dbraw/zinc/22/05/73/264220573.db2.gz UFHLENFNBKKKAO-UHFFFAOYSA-N 2 1 275.400 2.491 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cncn1C(C)C ZINC000425386893 264220575 /nfs/dbraw/zinc/22/05/75/264220575.db2.gz UFHLENFNBKKKAO-UHFFFAOYSA-N 2 1 275.400 2.491 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC000414759536 279179212 /nfs/dbraw/zinc/17/92/12/279179212.db2.gz OSVZYOJBIMSUGS-GJZGRUSLSA-N 2 1 256.434 2.233 20 0 CEADMP Cc1ccc(C[C@@H](CO)[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC000188984833 270260451 /nfs/dbraw/zinc/26/04/51/270260451.db2.gz PHBJNWOZZODGPT-KRWDZBQOSA-N 2 1 299.418 2.149 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCC2CC2)CC1 ZINC000192775438 270280018 /nfs/dbraw/zinc/28/00/18/270280018.db2.gz GMYSCUBYWAQZGE-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP C(CC1CCCCC1)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000395073624 270344407 /nfs/dbraw/zinc/34/44/07/270344407.db2.gz LKVWZTWMKJVFMX-KRWDZBQOSA-N 2 1 279.472 2.326 20 0 CEADMP Cc1cc(C)c(C[NH2+]C2CC[NH+](C3CC3)CC2)cn1 ZINC000397016268 270350232 /nfs/dbraw/zinc/35/02/32/270350232.db2.gz FITSSTZHYFZVPN-UHFFFAOYSA-N 2 1 259.397 2.415 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000398088421 270355779 /nfs/dbraw/zinc/35/57/79/270355779.db2.gz IUIUMHLCIWCIRF-NXHRZFHOSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)CN1Cc1ccccc1 ZINC000398088421 270355780 /nfs/dbraw/zinc/35/57/80/270355780.db2.gz IUIUMHLCIWCIRF-NXHRZFHOSA-N 2 1 287.451 2.381 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCOC(F)(F)F)c2ccccc21 ZINC000398194367 270356541 /nfs/dbraw/zinc/35/65/41/270356541.db2.gz TUSZBYDDFYLDIW-GHMZBOCLSA-N 2 1 260.259 2.257 20 0 CEADMP Cc1ccccc1OCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422739729 270748044 /nfs/dbraw/zinc/74/80/44/270748044.db2.gz LSDQZCYQBMHTFS-HIFRSBDPSA-N 2 1 262.397 2.352 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422974110 270812176 /nfs/dbraw/zinc/81/21/76/270812176.db2.gz QLZWOZDARQGFOG-QBPKDAKJSA-N 3 1 279.472 2.229 20 0 CEADMP CCC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422974110 270812177 /nfs/dbraw/zinc/81/21/77/270812177.db2.gz QLZWOZDARQGFOG-QBPKDAKJSA-N 2 1 279.472 2.229 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422974110 270812179 /nfs/dbraw/zinc/81/21/79/270812179.db2.gz QLZWOZDARQGFOG-QBPKDAKJSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423089918 270834065 /nfs/dbraw/zinc/83/40/65/270834065.db2.gz WFINYCVHHLHWEC-QAPCUYQASA-N 2 1 287.451 2.491 20 0 CEADMP COC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CCCC1 ZINC000423191248 270866287 /nfs/dbraw/zinc/86/62/87/270866287.db2.gz SLWPAIFXVIUTOP-QGZVFWFLSA-N 2 1 291.439 2.356 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C12CCCCC2 ZINC000423236945 270879723 /nfs/dbraw/zinc/87/97/23/270879723.db2.gz PIQDPXUNJQSDCQ-SOUVJXGZSA-N 2 1 266.429 2.456 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCC[NH2+]C1CCCCCC1 ZINC000423285174 270889351 /nfs/dbraw/zinc/88/93/51/270889351.db2.gz XTYJPGWIIQQAST-PBHICJAKSA-N 2 1 279.472 2.371 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000423293612 270891035 /nfs/dbraw/zinc/89/10/35/270891035.db2.gz AHOLZRMYUATYHL-AXFHLTTASA-N 2 1 268.323 2.203 20 0 CEADMP c1ccc(CCN2CCC([NH2+]CC3=CC[NH2+]CC3)CC2)cc1 ZINC000423347441 270901734 /nfs/dbraw/zinc/90/17/34/270901734.db2.gz QMODJLRROZRTFB-UHFFFAOYSA-N 2 1 299.462 2.203 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)CCCO2 ZINC000423389324 270908552 /nfs/dbraw/zinc/90/85/52/270908552.db2.gz JIKDQPDTWACDEI-DAXOMENPSA-N 2 1 290.407 2.497 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423431455 270911908 /nfs/dbraw/zinc/91/19/08/270911908.db2.gz VKEPEPIBOJILID-DKIMLUQUSA-N 2 1 289.467 2.300 20 0 CEADMP COC(=O)CC1CC([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000424257492 271036495 /nfs/dbraw/zinc/03/64/95/271036495.db2.gz KMRDSLMEFPTBFA-UHFFFAOYSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CCCc1ccncc1)CC[NH2+]CC2 ZINC000424293728 271041654 /nfs/dbraw/zinc/04/16/54/271041654.db2.gz PTQPQNJBLBDRSP-HNNXBMFYSA-N 2 1 273.424 2.478 20 0 CEADMP CC(C)C[C@H]([NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424338072 271048450 /nfs/dbraw/zinc/04/84/50/271048450.db2.gz MPCYQASWUNUNMT-JTQLQIEISA-N 2 1 252.362 2.234 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(C)(C)COC)C1 ZINC000426399885 271217696 /nfs/dbraw/zinc/21/76/96/271217696.db2.gz DVBSHRGYXSJEJP-CQSZACIVSA-N 2 1 256.434 2.323 20 0 CEADMP CCc1cccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428035281 271241038 /nfs/dbraw/zinc/24/10/38/271241038.db2.gz UYXPLGDSDPRJEJ-WBVHZDCISA-N 2 1 274.408 2.312 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428035281 271241042 /nfs/dbraw/zinc/24/10/42/271241042.db2.gz UYXPLGDSDPRJEJ-WBVHZDCISA-N 2 1 274.408 2.312 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000428311124 271255788 /nfs/dbraw/zinc/25/57/88/271255788.db2.gz QNKXWBDRNXZSOQ-BETUJISGSA-N 2 1 275.396 2.217 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1cnc(C)cn1 ZINC000428375190 271260469 /nfs/dbraw/zinc/26/04/69/271260469.db2.gz QAXBCWIERUBAIG-CYBMUJFWSA-N 2 1 273.384 2.373 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1cnc(C)cn1 ZINC000428375190 271260471 /nfs/dbraw/zinc/26/04/71/271260471.db2.gz QAXBCWIERUBAIG-CYBMUJFWSA-N 2 1 273.384 2.373 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C ZINC000429359278 271325693 /nfs/dbraw/zinc/32/56/93/271325693.db2.gz AADKHXQCATYVHX-GJZGRUSLSA-N 2 1 284.444 2.238 20 0 CEADMP Cc1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)ccc1F ZINC000429999268 271351519 /nfs/dbraw/zinc/35/15/19/271351519.db2.gz BFIHRACVTHALEQ-UHFFFAOYSA-N 2 1 280.387 2.071 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000430560935 271389742 /nfs/dbraw/zinc/38/97/42/271389742.db2.gz JAMQGMKUOXXTJD-FPCVCCKLSA-N 2 1 297.487 2.375 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000430560935 271389744 /nfs/dbraw/zinc/38/97/44/271389744.db2.gz JAMQGMKUOXXTJD-FPCVCCKLSA-N 2 1 297.487 2.375 20 0 CEADMP C[C@](C[NH3+])([NH2+]CCCOc1ccc(F)cc1)C1CC1 ZINC000430558490 271390219 /nfs/dbraw/zinc/39/02/19/271390219.db2.gz YPSJJOXXQXIMGI-OAHLLOKOSA-N 2 1 266.360 2.312 20 0 CEADMP C[C@](C[NH3+])([NH2+]CCC(=O)Nc1ccccc1Cl)C1CC1 ZINC000430592220 271395997 /nfs/dbraw/zinc/39/59/97/271395997.db2.gz PSNXBABUTAQISU-OAHLLOKOSA-N 2 1 295.814 2.386 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000430589748 271396611 /nfs/dbraw/zinc/39/66/11/271396611.db2.gz IUYMOEMTOGIRPA-UHFFFAOYSA-N 2 1 290.367 2.151 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NCC1CCCCC1 ZINC000430599581 271398702 /nfs/dbraw/zinc/39/87/02/271398702.db2.gz WGOUATMARUNUFK-ZBFHGGJFSA-N 2 1 297.487 2.377 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NCC1CCCCC1 ZINC000430599581 271398706 /nfs/dbraw/zinc/39/87/06/271398706.db2.gz WGOUATMARUNUFK-ZBFHGGJFSA-N 2 1 297.487 2.377 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C(C)(C)C ZINC000247022045 280318073 /nfs/dbraw/zinc/31/80/73/280318073.db2.gz KUNDFFSCYBUOQI-REWJHTLYSA-N 2 1 256.434 2.366 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]CC1(CN(C)C)CCCC1 ZINC000423032159 281002404 /nfs/dbraw/zinc/00/24/04/281002404.db2.gz DYLAZXUKIZXYRS-AWEZNQCLSA-N 2 1 255.450 2.216 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc21 ZINC000335032463 273587776 /nfs/dbraw/zinc/58/77/76/273587776.db2.gz YVDNNRMWXSURCR-XJKSGUPXSA-N 2 1 274.408 2.377 20 0 CEADMP COc1c(C)cnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000228473753 274089129 /nfs/dbraw/zinc/08/91/29/274089129.db2.gz BEGNSVXNGYRLGX-RRFJBIMHSA-N 2 1 289.423 2.266 20 0 CEADMP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355202654 274232717 /nfs/dbraw/zinc/23/27/17/274232717.db2.gz POYPSMPATUMUFV-FUHWJXTLSA-N 2 1 298.434 2.383 20 0 CEADMP C[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000337133880 274273465 /nfs/dbraw/zinc/27/34/65/274273465.db2.gz BEMLTOBNPGAPKS-SJLPKXTDSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000337133880 274273466 /nfs/dbraw/zinc/27/34/66/274273466.db2.gz BEMLTOBNPGAPKS-SJLPKXTDSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000337133880 274273467 /nfs/dbraw/zinc/27/34/67/274273467.db2.gz BEMLTOBNPGAPKS-SJLPKXTDSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000360038380 274334822 /nfs/dbraw/zinc/33/48/22/274334822.db2.gz NMWGXDCUFNFVJQ-NUJGCVRESA-N 2 1 287.451 2.443 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCCS1 ZINC000156158103 275395541 /nfs/dbraw/zinc/39/55/41/275395541.db2.gz UICPBKZDGRCAFJ-MGPQQGTHSA-N 2 1 254.443 2.489 20 0 CEADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000348103922 275528989 /nfs/dbraw/zinc/52/89/89/275528989.db2.gz MYEHBAQDHUIDSJ-HUUCEWRRSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1(C)C ZINC000185225535 275661211 /nfs/dbraw/zinc/66/12/11/275661211.db2.gz UIMODEDAXNZBIQ-HUUCEWRRSA-N 2 1 298.471 2.279 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000157701761 276002451 /nfs/dbraw/zinc/00/24/51/276002451.db2.gz KGGVGQLGEIZUEG-YJNKXOJESA-N 2 1 254.418 2.262 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000157701761 276002453 /nfs/dbraw/zinc/00/24/53/276002453.db2.gz KGGVGQLGEIZUEG-YJNKXOJESA-N 2 1 254.418 2.262 20 0 CEADMP CCC[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000337304196 276040105 /nfs/dbraw/zinc/04/01/05/276040105.db2.gz RIAXOVPPSVTKCH-JYJNAYRXSA-N 2 1 267.461 2.133 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000365192145 276097814 /nfs/dbraw/zinc/09/78/14/276097814.db2.gz VLRXJFIJFMIPNO-QGZVFWFLSA-N 2 1 276.424 2.142 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000266608152 276109579 /nfs/dbraw/zinc/10/95/79/276109579.db2.gz URPQTSUWBNJZOI-NVXWUHKLSA-N 2 1 276.424 2.384 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000266608152 276109581 /nfs/dbraw/zinc/10/95/81/276109581.db2.gz URPQTSUWBNJZOI-NVXWUHKLSA-N 2 1 276.424 2.384 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000336807865 276151332 /nfs/dbraw/zinc/15/13/32/276151332.db2.gz AIIJZYUUMSKUFC-NEPJUHHUSA-N 2 1 280.334 2.170 20 0 CEADMP CC1CC[NH+](CCCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000359940268 276196822 /nfs/dbraw/zinc/19/68/22/276196822.db2.gz GNEMWVDAQPOSID-SJORKVTESA-N 3 1 281.488 2.428 20 0 CEADMP CC1CC[NH+](CCCC[NH2+][C@H]2CCN(C)C[C@H]2C)CC1 ZINC000359940268 276196823 /nfs/dbraw/zinc/19/68/23/276196823.db2.gz GNEMWVDAQPOSID-SJORKVTESA-N 2 1 281.488 2.428 20 0 CEADMP CCCC1CCC(C[N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC000357971946 276225766 /nfs/dbraw/zinc/22/57/66/276225766.db2.gz UNRXIIJLBPXBHU-NRXISQOPSA-N 2 1 254.418 2.252 20 0 CEADMP CCCC1CCC(C[N@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC000357971946 276225770 /nfs/dbraw/zinc/22/57/70/276225770.db2.gz UNRXIIJLBPXBHU-NRXISQOPSA-N 2 1 254.418 2.252 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)[C@@H](C)C1 ZINC000246481792 276228316 /nfs/dbraw/zinc/22/83/16/276228316.db2.gz RGXZATNPTFAIFH-MJBXVCDLSA-N 2 1 256.434 2.103 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCOC2)[C@H](C)C1 ZINC000361398326 276315651 /nfs/dbraw/zinc/31/56/51/276315651.db2.gz SIHGGINULSKTQU-IXDOHACOSA-N 2 1 298.471 2.140 20 0 CEADMP CCOC[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000161874435 276330609 /nfs/dbraw/zinc/33/06/09/276330609.db2.gz VDVWRFWEKKSBHW-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCOC[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000161874435 276330610 /nfs/dbraw/zinc/33/06/10/276330610.db2.gz VDVWRFWEKKSBHW-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCOC[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000161874435 276330611 /nfs/dbraw/zinc/33/06/11/276330611.db2.gz VDVWRFWEKKSBHW-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2c(c1)ncn2C ZINC000289464597 276343292 /nfs/dbraw/zinc/34/32/92/276343292.db2.gz OTOFYJRUAPAEIT-UHFFFAOYSA-N 2 1 274.412 2.347 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)ncn2C ZINC000289464597 276343293 /nfs/dbraw/zinc/34/32/93/276343293.db2.gz OTOFYJRUAPAEIT-UHFFFAOYSA-N 2 1 274.412 2.347 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353532355 276364013 /nfs/dbraw/zinc/36/40/13/276364013.db2.gz WKAKBOWJWCSYFL-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353532355 276364014 /nfs/dbraw/zinc/36/40/14/276364014.db2.gz WKAKBOWJWCSYFL-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353532355 276364015 /nfs/dbraw/zinc/36/40/15/276364015.db2.gz WKAKBOWJWCSYFL-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353532355 276364016 /nfs/dbraw/zinc/36/40/16/276364016.db2.gz WKAKBOWJWCSYFL-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353532355 276364017 /nfs/dbraw/zinc/36/40/17/276364017.db2.gz WKAKBOWJWCSYFL-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000250214334 276397916 /nfs/dbraw/zinc/39/79/16/276397916.db2.gz CZDXGYUSHKUYGU-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)C1CCCCC1)CC2 ZINC000335866159 277042375 /nfs/dbraw/zinc/04/23/75/277042375.db2.gz JNNAVFYNNGGMJV-INIZCTEOSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000247029896 277051776 /nfs/dbraw/zinc/05/17/76/277051776.db2.gz NMWQGBJWDQPYQU-SFHVURJKSA-N 2 1 287.451 2.291 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)[C@@H]2CCC[C@@H]21 ZINC000353669172 277173354 /nfs/dbraw/zinc/17/33/54/277173354.db2.gz BYWZTSUDLPJZRZ-AYCBFJCHSA-N 2 1 264.413 2.016 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000335935432 277184433 /nfs/dbraw/zinc/18/44/33/277184433.db2.gz QAMAHPBSUJOXNU-HOCLYGCPSA-N 2 1 266.429 2.146 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000335935432 277184435 /nfs/dbraw/zinc/18/44/35/277184435.db2.gz QAMAHPBSUJOXNU-HOCLYGCPSA-N 2 1 266.429 2.146 20 0 CEADMP C[N@H+]1Cc2ccccc2[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000366699763 277213052 /nfs/dbraw/zinc/21/30/52/277213052.db2.gz VTSYXXVOQAPNEP-XYJFISCASA-N 2 1 285.435 2.390 20 0 CEADMP C[N@@H+]1Cc2ccccc2[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000366699763 277213053 /nfs/dbraw/zinc/21/30/53/277213053.db2.gz VTSYXXVOQAPNEP-XYJFISCASA-N 2 1 285.435 2.390 20 0 CEADMP C[NH+]1Cc2ccccc2[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000366699763 277213054 /nfs/dbraw/zinc/21/30/54/277213054.db2.gz VTSYXXVOQAPNEP-XYJFISCASA-N 2 1 285.435 2.390 20 0 CEADMP C[NH+]1Cc2ccccc2[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000366699763 277213055 /nfs/dbraw/zinc/21/30/55/277213055.db2.gz VTSYXXVOQAPNEP-XYJFISCASA-N 2 1 285.435 2.390 20 0 CEADMP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000360031196 277245698 /nfs/dbraw/zinc/24/56/98/277245698.db2.gz ZKRZNKLOJXAGQN-ZIAGYGMSSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(F)(F)F ZINC000359976662 278209740 /nfs/dbraw/zinc/20/97/40/278209740.db2.gz PEIWYXUWZFZPQJ-MXWKQRLJSA-N 2 1 250.308 2.401 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000186738677 278256067 /nfs/dbraw/zinc/25/60/67/278256067.db2.gz HKXRTTIKYXPNNO-XHSDSOJGSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000193126279 278324632 /nfs/dbraw/zinc/32/46/32/278324632.db2.gz VQQQICJOZMGIJQ-ZFWWWQNUSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000122765325 278345581 /nfs/dbraw/zinc/34/55/81/278345581.db2.gz XHKXJXZWNMWRHE-QAPCUYQASA-N 2 1 288.435 2.449 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000122765325 278345585 /nfs/dbraw/zinc/34/55/85/278345585.db2.gz XHKXJXZWNMWRHE-QAPCUYQASA-N 2 1 288.435 2.449 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)[C@H]1CC[NH2+]C1 ZINC000415113951 278365559 /nfs/dbraw/zinc/36/55/59/278365559.db2.gz SGIJKVNATTURQV-VWYCJHECSA-N 2 1 265.426 2.280 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(C)=O ZINC000372945874 279095097 /nfs/dbraw/zinc/09/50/97/279095097.db2.gz FGYKPPXMDPCYNS-DLBZAZTESA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000245851091 288106993 /nfs/dbraw/zinc/10/69/93/288106993.db2.gz GKFSSXKLQIWYEA-LVQVYYBASA-N 2 1 296.455 2.381 20 0 CEADMP Cc1nccnc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414194703 279175873 /nfs/dbraw/zinc/17/58/73/279175873.db2.gz UPEAPIOBXHPDMG-GXTWGEPZSA-N 2 1 262.401 2.168 20 0 CEADMP C[C@H](C[NH2+][C@H](C)c1ccnn1C)C[NH+]1CCCCC1 ZINC000192250377 279351284 /nfs/dbraw/zinc/35/12/84/279351284.db2.gz WIVLNHSTNLEVTR-ZIAGYGMSSA-N 2 1 264.417 2.193 20 0 CEADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000360933133 279368498 /nfs/dbraw/zinc/36/84/98/279368498.db2.gz JTTBRGMRGFWDHK-VYDRJRHOSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000093515628 279371860 /nfs/dbraw/zinc/37/18/60/279371860.db2.gz FVGGDTXTVZKNMH-OWCLPIDISA-N 2 1 279.472 2.371 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000093515628 279371862 /nfs/dbraw/zinc/37/18/62/279371862.db2.gz FVGGDTXTVZKNMH-OWCLPIDISA-N 3 1 279.472 2.371 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000093515628 279371866 /nfs/dbraw/zinc/37/18/66/279371866.db2.gz FVGGDTXTVZKNMH-OWCLPIDISA-N 3 1 279.472 2.371 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC1CC[NH+](C2CCC2)CC1 ZINC000352749440 288132007 /nfs/dbraw/zinc/13/20/07/288132007.db2.gz QOKIHUQZVVPVCJ-CXAGYDPISA-N 2 1 277.456 2.076 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000352749440 288132008 /nfs/dbraw/zinc/13/20/08/288132008.db2.gz QOKIHUQZVVPVCJ-CXAGYDPISA-N 2 1 277.456 2.076 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCOCC2)C[C@H](C)O1 ZINC000356674095 288161580 /nfs/dbraw/zinc/16/15/80/288161580.db2.gz AOCZHIGMAFVAID-XHSDSOJGSA-N 2 1 284.444 2.035 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000128903274 279898949 /nfs/dbraw/zinc/89/89/49/279898949.db2.gz JOEDKWMPPPKOLH-ZNMIVQPWSA-N 2 1 254.418 2.121 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccnn2C)CC1 ZINC000180123203 280106806 /nfs/dbraw/zinc/10/68/06/280106806.db2.gz IMZUIQRESUMFNM-UHFFFAOYSA-N 2 1 278.444 2.364 20 0 CEADMP CC(C)[C@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000352790802 280162089 /nfs/dbraw/zinc/16/20/89/280162089.db2.gz GIHCWWGQGBQZJZ-BZUAXINKSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000352790802 280162092 /nfs/dbraw/zinc/16/20/92/280162092.db2.gz GIHCWWGQGBQZJZ-BZUAXINKSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1CCOC1 ZINC000133276809 280187421 /nfs/dbraw/zinc/18/74/21/280187421.db2.gz JFURVQMMQFOPAK-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1CCOC1 ZINC000133276809 280187422 /nfs/dbraw/zinc/18/74/22/280187422.db2.gz JFURVQMMQFOPAK-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@@H+](CC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)C1CC1 ZINC000246356033 280288992 /nfs/dbraw/zinc/28/89/92/280288992.db2.gz WRZMIADIPOIIHA-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000246356033 280288996 /nfs/dbraw/zinc/28/89/96/280288996.db2.gz WRZMIADIPOIIHA-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000246356033 280288997 /nfs/dbraw/zinc/28/89/97/280288997.db2.gz WRZMIADIPOIIHA-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247001389 280317428 /nfs/dbraw/zinc/31/74/28/280317428.db2.gz WXKNLLLXWGBCRO-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247001389 280317430 /nfs/dbraw/zinc/31/74/30/280317430.db2.gz WXKNLLLXWGBCRO-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247001389 280317431 /nfs/dbraw/zinc/31/74/31/280317431.db2.gz WXKNLLLXWGBCRO-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247001389 280317433 /nfs/dbraw/zinc/31/74/33/280317433.db2.gz WXKNLLLXWGBCRO-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H](CC(C)C)[NH+](C)C)[C@@H](C)C1 ZINC000247207293 280322978 /nfs/dbraw/zinc/32/29/78/280322978.db2.gz WRRNYCJYBMFMNP-JYJNAYRXSA-N 3 1 269.477 2.283 20 0 CEADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000344294496 280341318 /nfs/dbraw/zinc/34/13/18/280341318.db2.gz IVEUMUQMDKQMGM-XQLPTFJDSA-N 2 1 268.445 2.102 20 0 CEADMP C[C@@H](CCN[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000248507765 280350975 /nfs/dbraw/zinc/35/09/75/280350975.db2.gz XQIQLCQJDLJMGE-XHSDSOJGSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H]2CCCO2)C1 ZINC000248944900 280374648 /nfs/dbraw/zinc/37/46/48/280374648.db2.gz DFUHBPBXAFXWHH-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000248944900 280374649 /nfs/dbraw/zinc/37/46/49/280374649.db2.gz DFUHBPBXAFXWHH-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000248944900 280374650 /nfs/dbraw/zinc/37/46/50/280374650.db2.gz DFUHBPBXAFXWHH-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)CC(F)(F)F ZINC000249288288 280391551 /nfs/dbraw/zinc/39/15/51/280391551.db2.gz LZJPMDUZPZLWEV-RYUDHWBXSA-N 2 1 282.350 2.106 20 0 CEADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000422920018 280965683 /nfs/dbraw/zinc/96/56/83/280965683.db2.gz LHXMGROZDBWXTE-KYOSRNDESA-N 2 1 266.360 2.101 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423029892 281001266 /nfs/dbraw/zinc/00/12/66/281001266.db2.gz IXVQGLHMUALNIO-OKYOBFRVSA-N 2 1 299.462 2.239 20 0 CEADMP Fc1ccc(CCCC[NH2+][C@@H]2CC[NH2+]C2)cc1F ZINC000423053200 281012744 /nfs/dbraw/zinc/01/27/44/281012744.db2.gz RMPDBCRGKVKSPE-GFCCVEGCSA-N 2 1 254.324 2.239 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423054372 281013080 /nfs/dbraw/zinc/01/30/80/281013080.db2.gz UQQWWKCNTGMMCT-QBYUYEEZSA-N 2 1 275.440 2.222 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000423054372 281013082 /nfs/dbraw/zinc/01/30/82/281013082.db2.gz UQQWWKCNTGMMCT-QBYUYEEZSA-N 2 1 275.440 2.222 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)[C@H]1CCCC[NH2+]1 ZINC000423162273 281020493 /nfs/dbraw/zinc/02/04/93/281020493.db2.gz OYUKPCSHVIIHTN-KLZNWCGWSA-N 2 1 289.423 2.422 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1OC(F)F ZINC000423426745 281038700 /nfs/dbraw/zinc/03/87/00/281038700.db2.gz HYEKGLSIIYOKSC-HJUHTLPRSA-N 2 1 298.333 2.165 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423426718 281038737 /nfs/dbraw/zinc/03/87/37/281038737.db2.gz HVYNNMOQNXFUGR-HZPDHXFCSA-N 2 1 295.471 2.084 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCCOC)cc1 ZINC000423465747 281049035 /nfs/dbraw/zinc/04/90/35/281049035.db2.gz NBIQHGYKRKHIHY-JSGCOSHPSA-N 2 1 266.385 2.100 20 0 CEADMP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423467452 281049905 /nfs/dbraw/zinc/04/99/05/281049905.db2.gz ZATLMDBTJPNHQK-SJLQNKMUSA-N 2 1 260.356 2.257 20 0 CEADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423475674 281052004 /nfs/dbraw/zinc/05/20/04/281052004.db2.gz RUINJAKJMXAOBJ-KKFJDGPESA-N 2 1 252.333 2.147 20 0 CEADMP CC[C@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423476331 281052491 /nfs/dbraw/zinc/05/24/91/281052491.db2.gz SIXABRVOBWJCNS-PVAVHDDUSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccccc1-n1ccnn1 ZINC000423496489 281056243 /nfs/dbraw/zinc/05/62/43/281056243.db2.gz DZQJGTJLXCSFLD-XJKSGUPXSA-N 2 1 299.422 2.435 20 0 CEADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000423518450 281061140 /nfs/dbraw/zinc/06/11/40/281061140.db2.gz OSBANBKWUODVJV-GOEBONIOSA-N 2 1 293.480 2.473 20 0 CEADMP CC(C)C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000423531245 281064342 /nfs/dbraw/zinc/06/43/42/281064342.db2.gz ZRETTYLZLIDDIA-IAGOWNOFSA-N 2 1 275.440 2.267 20 0 CEADMP Cc1cccc(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)[nH+]1 ZINC000333658207 281225884 /nfs/dbraw/zinc/22/58/84/281225884.db2.gz LCPANFYAWODOHH-GOEBONIOSA-N 2 1 275.396 2.113 20 0 CEADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H](C[NH3+])C3)cc2)n1 ZINC000430925741 281280672 /nfs/dbraw/zinc/28/06/72/281280672.db2.gz MFWVVPLAUJGKBS-MRXNPFEDSA-N 2 1 284.407 2.270 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000430930079 281281836 /nfs/dbraw/zinc/28/18/36/281281836.db2.gz ROBOYVVYPJNWFK-XJKSGUPXSA-N 2 1 262.397 2.297 20 0 CEADMP CC[C@]1(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC[NH2+]C1 ZINC000363534233 281301617 /nfs/dbraw/zinc/30/16/17/281301617.db2.gz LVBDIRYGHMOPLF-WBVHZDCISA-N 2 1 295.471 2.147 20 0 CEADMP CCn1nc(C)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000432784258 281340055 /nfs/dbraw/zinc/34/00/55/281340055.db2.gz GDONPXTXQLFHJV-OAHLLOKOSA-N 2 1 278.444 2.436 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000432784258 281340060 /nfs/dbraw/zinc/34/00/60/281340060.db2.gz GDONPXTXQLFHJV-OAHLLOKOSA-N 2 1 278.444 2.436 20 0 CEADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000128085469 281360490 /nfs/dbraw/zinc/36/04/90/281360490.db2.gz TZKHIDDWELMKAE-BFHYXJOUSA-N 2 1 252.402 2.160 20 0 CEADMP CC(C)OC1CC([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000433023743 281360661 /nfs/dbraw/zinc/36/06/61/281360661.db2.gz SXONOMXSWBOCGZ-FHERZECASA-N 2 1 284.444 2.033 20 0 CEADMP CC(C)OC1CC([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000433023743 281360662 /nfs/dbraw/zinc/36/06/62/281360662.db2.gz SXONOMXSWBOCGZ-FHERZECASA-N 2 1 284.444 2.033 20 0 CEADMP CC(C)[C@@H](C[NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000433127349 281367744 /nfs/dbraw/zinc/36/77/44/281367744.db2.gz RWEBOIMFFOLFGQ-QLFBSQMISA-N 2 1 297.487 2.090 20 0 CEADMP CCc1ncc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)s1 ZINC000435430622 281389619 /nfs/dbraw/zinc/38/96/19/281389619.db2.gz DCPYBPBPADJPNP-LLVKDONJSA-N 2 1 253.415 2.279 20 0 CEADMP CCc1ncc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)s1 ZINC000435430622 281389620 /nfs/dbraw/zinc/38/96/20/281389620.db2.gz DCPYBPBPADJPNP-LLVKDONJSA-N 2 1 253.415 2.279 20 0 CEADMP CCC(C)(C)[C@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414714652 282038079 /nfs/dbraw/zinc/03/80/79/282038079.db2.gz XTFLMAFRGNMCIT-HUUCEWRRSA-N 2 1 295.471 2.084 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(CC[NH+]2CCC(C)CC2)C1 ZINC000154071644 289133739 /nfs/dbraw/zinc/13/37/39/289133739.db2.gz SRDOTPBFNSITIX-KRWDZBQOSA-N 2 1 281.488 2.382 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000336791333 289189704 /nfs/dbraw/zinc/18/97/04/289189704.db2.gz NCKHMCYUAPHYBP-KBPBESRZSA-N 2 1 254.418 2.002 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1Br ZINC000259037576 289257931 /nfs/dbraw/zinc/25/79/31/289257931.db2.gz PCONPIGPFXNXQV-RYUDHWBXSA-N 2 1 299.212 2.427 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCOCC1 ZINC000222025307 290018496 /nfs/dbraw/zinc/01/84/96/290018496.db2.gz YUVPHNJOODXXAU-CFVMTHIKSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCOCC1 ZINC000222025307 290018499 /nfs/dbraw/zinc/01/84/99/290018499.db2.gz YUVPHNJOODXXAU-CFVMTHIKSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC000367677623 290047025 /nfs/dbraw/zinc/04/70/25/290047025.db2.gz FUXDUXKLLVQVJF-INIZCTEOSA-N 2 1 281.488 2.382 20 0 CEADMP CCOc1ccc(C[N@@H+](C)CCc2cncn2C)cc1 ZINC000459297161 290108259 /nfs/dbraw/zinc/10/82/59/290108259.db2.gz FQUYYMLIRUEDMH-UHFFFAOYSA-N 2 1 273.380 2.493 20 0 CEADMP Cn1c[nH+]cc1CCN1CC[NH+](CC2CCCCC2)CC1 ZINC000459325965 290118088 /nfs/dbraw/zinc/11/80/88/290118088.db2.gz MFPQCQJJJSAQFH-UHFFFAOYSA-N 2 1 290.455 2.161 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CCn2cc(Cl)cn2)C1 ZINC000459360489 290126351 /nfs/dbraw/zinc/12/63/51/290126351.db2.gz OKDYNGHDIQZDTM-CQSZACIVSA-N 2 1 296.846 2.200 20 0 CEADMP CCn1nncc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459398033 290136920 /nfs/dbraw/zinc/13/69/20/290136920.db2.gz FESVIPOOEPMUHT-UONOGXRCSA-N 2 1 291.443 2.041 20 0 CEADMP CCn1nncc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459398033 290136921 /nfs/dbraw/zinc/13/69/21/290136921.db2.gz FESVIPOOEPMUHT-UONOGXRCSA-N 2 1 291.443 2.041 20 0 CEADMP OC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)CC1CCCC1 ZINC000459544563 290175208 /nfs/dbraw/zinc/17/52/08/290175208.db2.gz RAPDYXBFSMANHC-HNNXBMFYSA-N 2 1 280.456 2.392 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1SC ZINC000459565137 290181374 /nfs/dbraw/zinc/18/13/74/290181374.db2.gz FZUIVTPOHPTAQW-PBWWSOHRSA-N 2 1 284.469 2.110 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOC2)[C@@H]1c1ccccc1 ZINC000371519943 290196064 /nfs/dbraw/zinc/19/60/64/290196064.db2.gz OUGVFTGZVQMHIS-IKGGRYGDSA-N 2 1 274.408 2.448 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)[C@H](C)C1 ZINC000459629247 290199779 /nfs/dbraw/zinc/19/97/79/290199779.db2.gz GWMSHQOQWJNRGQ-KBXIAJHMSA-N 2 1 254.418 2.262 20 0 CEADMP CCOc1cccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000459744849 290224569 /nfs/dbraw/zinc/22/45/69/290224569.db2.gz XYDYKJKCMMGZAI-CQSZACIVSA-N 2 1 277.412 2.302 20 0 CEADMP COCCSCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000488435318 290398975 /nfs/dbraw/zinc/39/89/75/290398975.db2.gz VGIAQEYSRJNCCN-KGLIPLIRSA-N 2 1 274.474 2.171 20 0 CEADMP COCCSCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000488435318 290398978 /nfs/dbraw/zinc/39/89/78/290398978.db2.gz VGIAQEYSRJNCCN-KGLIPLIRSA-N 2 1 274.474 2.171 20 0 CEADMP COCCSCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000488435318 290398981 /nfs/dbraw/zinc/39/89/81/290398981.db2.gz VGIAQEYSRJNCCN-KGLIPLIRSA-N 2 1 274.474 2.171 20 0 CEADMP COCCSCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000488435318 290398984 /nfs/dbraw/zinc/39/89/84/290398984.db2.gz VGIAQEYSRJNCCN-KGLIPLIRSA-N 2 1 274.474 2.171 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NC1CCCCCC1 ZINC000111380546 295239819 /nfs/dbraw/zinc/23/98/19/295239819.db2.gz YPQLVDBSYVZONR-OAHLLOKOSA-N 2 1 281.444 2.029 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NC1CCCCCC1 ZINC000111380546 295239821 /nfs/dbraw/zinc/23/98/21/295239821.db2.gz YPQLVDBSYVZONR-OAHLLOKOSA-N 2 1 281.444 2.029 20 0 CEADMP C[C@@H]1C[C@@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1C ZINC000354403140 297211955 /nfs/dbraw/zinc/21/19/55/297211955.db2.gz ZJBBDLOCBBVXIZ-QLFBSQMISA-N 2 1 297.487 2.199 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC[NH2+]1 ZINC000414713524 297253270 /nfs/dbraw/zinc/25/32/70/297253270.db2.gz WBFDJPJBALXQBW-IKGGRYGDSA-N 3 1 279.472 2.182 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000414798928 297285599 /nfs/dbraw/zinc/28/55/99/297285599.db2.gz CQFNOBSATDRGNR-JLSDUUJJSA-N 2 1 287.451 2.366 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530177529 298045693 /nfs/dbraw/zinc/04/56/93/298045693.db2.gz JSXLCJUTCVSCAV-WBVHZDCISA-N 2 1 286.419 2.427 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000530218471 298053806 /nfs/dbraw/zinc/05/38/06/298053806.db2.gz MQFXQKKYVRRIPX-PQEBFOHHSA-N 2 1 292.398 2.052 20 0 CEADMP OCc1ccc(F)c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000530220197 298054843 /nfs/dbraw/zinc/05/48/43/298054843.db2.gz JKGDXBWHVWGYBB-YOEHRIQHSA-N 2 1 292.398 2.282 20 0 CEADMP OCc1ccc(F)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000530220197 298054846 /nfs/dbraw/zinc/05/48/46/298054846.db2.gz JKGDXBWHVWGYBB-YOEHRIQHSA-N 2 1 292.398 2.282 20 0 CEADMP Cc1ncccc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000530220209 298054994 /nfs/dbraw/zinc/05/49/94/298054994.db2.gz MGOIKLXHYIBJKW-SUMWQHHRSA-N 2 1 269.392 2.438 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ncccc2Cl)C1 ZINC000530219759 298055010 /nfs/dbraw/zinc/05/50/10/298055010.db2.gz QLISLFHBERYTBR-LLVKDONJSA-N 2 1 253.777 2.296 20 0 CEADMP c1ccc([C@H]2C[C@@H]([NH2+]CC34CC(C3)CO4)CC[NH2+]2)cc1 ZINC000530223376 298056247 /nfs/dbraw/zinc/05/62/47/298056247.db2.gz UTRPLGVYHSRKJZ-CBUUIXETSA-N 2 1 272.392 2.248 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000530804863 298085686 /nfs/dbraw/zinc/08/56/86/298085686.db2.gz XOJWXKHGUOGZAQ-GASCZTMLSA-N 2 1 295.471 2.240 20 0 CEADMP O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000567368019 299058343 /nfs/dbraw/zinc/05/83/43/299058343.db2.gz JKTHLONJXAKDEI-XLNGHYISSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000567368019 299058344 /nfs/dbraw/zinc/05/83/44/299058344.db2.gz JKTHLONJXAKDEI-XLNGHYISSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000567368019 299058349 /nfs/dbraw/zinc/05/83/49/299058349.db2.gz JKTHLONJXAKDEI-XLNGHYISSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000567368019 299058351 /nfs/dbraw/zinc/05/83/51/299058351.db2.gz JKTHLONJXAKDEI-XLNGHYISSA-N 2 1 278.440 2.239 20 0 CEADMP [NH3+]CCC[N@@H+](CC(=O)Nc1ccccc1)CC1CCCC1 ZINC000352488022 303376435 /nfs/dbraw/zinc/37/64/35/303376435.db2.gz LIXCHYHTDMPUHS-UHFFFAOYSA-N 2 1 289.423 2.466 20 0 CEADMP [NH3+]CCC[N@H+](CC(=O)Nc1ccccc1)CC1CCCC1 ZINC000352488022 303376437 /nfs/dbraw/zinc/37/64/37/303376437.db2.gz LIXCHYHTDMPUHS-UHFFFAOYSA-N 2 1 289.423 2.466 20 0 CEADMP CCC1(CC)[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C[C@H]1OC ZINC000181561364 312791850 /nfs/dbraw/zinc/79/18/50/312791850.db2.gz MBIZDUJNMQKQTF-HZPDHXFCSA-N 2 1 298.471 2.017 20 0 CEADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000516921061 313098513 /nfs/dbraw/zinc/09/85/13/313098513.db2.gz SSHPLKCWRXNBDM-LSDHHAIUSA-N 3 1 267.461 2.086 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000518471452 313114723 /nfs/dbraw/zinc/11/47/23/313114723.db2.gz BOWLGBQGKNTBBK-NVXWUHKLSA-N 2 1 292.423 2.145 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000518471452 313114724 /nfs/dbraw/zinc/11/47/24/313114724.db2.gz BOWLGBQGKNTBBK-NVXWUHKLSA-N 2 1 292.423 2.145 20 0 CEADMP COC[C@@H](C)C[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000526119405 313157266 /nfs/dbraw/zinc/15/72/66/313157266.db2.gz ABUBEPXNMMAETH-HNNXBMFYSA-N 2 1 298.471 2.282 20 0 CEADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000527999769 313223977 /nfs/dbraw/zinc/22/39/77/313223977.db2.gz PWFCOSLKIVDLCH-AHDPXTMNSA-N 2 1 254.418 2.261 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccn1)C(C)C ZINC000534296678 313379916 /nfs/dbraw/zinc/37/99/16/313379916.db2.gz JHIHLADEELVSOV-UHFFFAOYSA-N 2 1 258.369 2.497 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccn1)C(C)C ZINC000534296678 313379919 /nfs/dbraw/zinc/37/99/19/313379919.db2.gz JHIHLADEELVSOV-UHFFFAOYSA-N 2 1 258.369 2.497 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCCC[NH+](C)C ZINC000577407309 314375181 /nfs/dbraw/zinc/37/51/81/314375181.db2.gz WGXZSAVDPNQOKT-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000577470802 314380154 /nfs/dbraw/zinc/38/01/54/314380154.db2.gz NTJZEFLOBHMJAX-QWHCGFSZSA-N 2 1 272.396 2.226 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000577518259 314386586 /nfs/dbraw/zinc/38/65/86/314386586.db2.gz SLSXWVWMZQNRPC-MISXGVKJSA-N 2 1 297.830 2.185 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000577572855 314389895 /nfs/dbraw/zinc/38/98/95/314389895.db2.gz ZNWUSBYAWAKQMC-HOCLYGCPSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H](C)O ZINC000577602612 314393733 /nfs/dbraw/zinc/39/37/33/314393733.db2.gz HCWVJORSDPIOSF-RDBSUJKOSA-N 2 1 282.453 2.319 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H](C)O ZINC000577602612 314393736 /nfs/dbraw/zinc/39/37/36/314393736.db2.gz HCWVJORSDPIOSF-RDBSUJKOSA-N 2 1 282.453 2.319 20 0 CEADMP Cc1cc(N2CCC([NH2+]CC3(C)CC3)CC2)nc(C)[nH+]1 ZINC000580270797 321926837 /nfs/dbraw/zinc/92/68/37/321926837.db2.gz BNQTWRMVAICCCN-UHFFFAOYSA-N 2 1 274.412 2.452 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000580342038 322312980 /nfs/dbraw/zinc/31/29/80/322312980.db2.gz PNVJLQDYUZGLBD-QRTARXTBSA-N 2 1 294.414 2.316 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000580342038 322312981 /nfs/dbraw/zinc/31/29/81/322312981.db2.gz PNVJLQDYUZGLBD-QRTARXTBSA-N 2 1 294.414 2.316 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000580342038 322312983 /nfs/dbraw/zinc/31/29/83/322312983.db2.gz PNVJLQDYUZGLBD-QRTARXTBSA-N 2 1 294.414 2.316 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)CC[NH2+]1 ZINC000580701951 322336817 /nfs/dbraw/zinc/33/68/17/322336817.db2.gz RNTMTOXOLDPNGV-UPJWGTAASA-N 2 1 294.361 2.418 20 0 CEADMP C[C@@]1(C[NH2+]Cc2ccc(F)cc2F)CCC[NH2+]C1 ZINC000580880549 322351187 /nfs/dbraw/zinc/35/11/87/322351187.db2.gz USCGQGJYSSLEJE-CQSZACIVSA-N 2 1 254.324 2.444 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000580899803 322352898 /nfs/dbraw/zinc/35/28/98/322352898.db2.gz BTTGPGDRZBSFJA-AAEUAGOBSA-N 2 1 293.386 2.274 20 0 CEADMP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000581201321 322377896 /nfs/dbraw/zinc/37/78/96/322377896.db2.gz YFGCVZYPSSKMEG-XQQFMLRXSA-N 2 1 277.416 2.096 20 0 CEADMP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)CC1CCCC1 ZINC000582481902 322476339 /nfs/dbraw/zinc/47/63/39/322476339.db2.gz LHZFWSJADXKFLL-INIZCTEOSA-N 2 1 266.429 2.144 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCN1CC[NH+](C)Cc1ccccc1 ZINC000584169127 327055491 /nfs/dbraw/zinc/05/54/91/327055491.db2.gz TWIIQNAOIYHEKI-QGZVFWFLSA-N 2 1 275.440 2.144 20 0 CEADMP CC[C@@H]1C[NH+](C)CCN1CC[N@H+](C)Cc1ccccc1 ZINC000584169127 327055493 /nfs/dbraw/zinc/05/54/93/327055493.db2.gz TWIIQNAOIYHEKI-QGZVFWFLSA-N 2 1 275.440 2.144 20 0 CEADMP CC[C@@H]1C[NH+](C)CCN1CC[N@@H+](C)Cc1ccccc1 ZINC000584169127 327055494 /nfs/dbraw/zinc/05/54/94/327055494.db2.gz TWIIQNAOIYHEKI-QGZVFWFLSA-N 2 1 275.440 2.144 20 0 CEADMP C[NH+](C)CCCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000584300259 327230161 /nfs/dbraw/zinc/23/01/61/327230161.db2.gz LXJKWCLIZUOJLJ-AWEZNQCLSA-N 2 1 297.830 2.011 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000396413303 329319989 /nfs/dbraw/zinc/31/99/89/329319989.db2.gz IIBTWXJHGIULEP-HIFPTAJRSA-N 2 1 294.361 2.154 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000396417675 329320039 /nfs/dbraw/zinc/32/00/39/329320039.db2.gz MRRBSPFJTUJJNW-HIFPTAJRSA-N 2 1 294.361 2.154 20 0 CEADMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n(C)n1 ZINC000417988159 533729596 /nfs/dbraw/zinc/72/95/96/533729596.db2.gz RSVXLFJQPOQKKH-HUUCEWRRSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n(C)n1 ZINC000417988159 533729601 /nfs/dbraw/zinc/72/96/01/533729601.db2.gz RSVXLFJQPOQKKH-HUUCEWRRSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n(C)n1 ZINC000417988157 533732289 /nfs/dbraw/zinc/73/22/89/533732289.db2.gz RSVXLFJQPOQKKH-CABCVRRESA-N 2 1 290.455 2.471 20 0 CEADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n(C)n1 ZINC000417988157 533732295 /nfs/dbraw/zinc/73/22/95/533732295.db2.gz RSVXLFJQPOQKKH-CABCVRRESA-N 2 1 290.455 2.471 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2cccnc2)CC[N@H+]1C ZINC000414335580 533943950 /nfs/dbraw/zinc/94/39/50/533943950.db2.gz OQNHQWVGEXTLIM-UKRRQHHQSA-N 2 1 261.413 2.432 20 0 CEADMP CC(C)CO[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359217636 519760380 /nfs/dbraw/zinc/76/03/80/519760380.db2.gz SMSCKSOATAQTSR-OAHLLOKOSA-N 2 1 254.418 2.123 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)CC)CC1 ZINC000052208848 520400692 /nfs/dbraw/zinc/40/06/92/520400692.db2.gz AGEXDJDZFHZAPG-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000365190314 520609263 /nfs/dbraw/zinc/60/92/63/520609263.db2.gz NRCWLXYCFNSFFU-GJZGRUSLSA-N 2 1 254.418 2.077 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150842222 520634910 /nfs/dbraw/zinc/63/49/10/520634910.db2.gz LYFACSLRNDCGGH-OAHLLOKOSA-N 2 1 282.428 2.138 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000045692013 520720962 /nfs/dbraw/zinc/72/09/62/520720962.db2.gz MQYSOEYLIVYNBV-KGLIPLIRSA-N 3 1 255.450 2.037 20 0 CEADMP CC[C@H](C[NH2+][C@H](C)CCn1cccn1)[NH+]1CCCC1 ZINC000157565926 522202764 /nfs/dbraw/zinc/20/27/64/522202764.db2.gz VBTAUSXKDNMVNX-HUUCEWRRSA-N 2 1 264.417 2.126 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CSC[C@@H]1C ZINC000352797317 534768875 /nfs/dbraw/zinc/76/88/75/534768875.db2.gz WKYQKLHOJLACAB-WCQYABFASA-N 2 1 253.415 2.313 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@@H](C)[C@@H]3CCOC3)CC2)[nH+]c1 ZINC000163465599 524942130 /nfs/dbraw/zinc/94/21/30/524942130.db2.gz RLMRMCVKLVLLEA-LSDHHAIUSA-N 2 1 289.423 2.373 20 0 CEADMP Cc1noc(C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000363683080 526589088 /nfs/dbraw/zinc/58/90/88/526589088.db2.gz OWYWZYHRAPRDRA-OAHLLOKOSA-N 2 1 292.427 2.432 20 0 CEADMP Cc1noc(C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000363683080 526589092 /nfs/dbraw/zinc/58/90/92/526589092.db2.gz OWYWZYHRAPRDRA-OAHLLOKOSA-N 2 1 292.427 2.432 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000418208014 527994154 /nfs/dbraw/zinc/99/41/54/527994154.db2.gz VIIBERGIRJJYEP-ZNMIVQPWSA-N 2 1 298.475 2.018 20 0 CEADMP CC(C)c1ncc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414960255 528351945 /nfs/dbraw/zinc/35/19/45/528351945.db2.gz YBEVJEQHBUWPFV-MNOVXSKESA-N 2 1 253.415 2.497 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000357383877 528570047 /nfs/dbraw/zinc/57/00/47/528570047.db2.gz SOZQSRIPPDUQRP-HUUCEWRRSA-N 2 1 297.487 2.247 20 0 CEADMP CC(C)Cc1noc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000357068170 528679942 /nfs/dbraw/zinc/67/99/42/528679942.db2.gz DKNCOMDEDYGIDI-AWEZNQCLSA-N 2 1 292.427 2.090 20 0 CEADMP CC[C@H](c1ccccc1)[N@@H+](CC)CCOCC[NH3+] ZINC000357105961 529181663 /nfs/dbraw/zinc/18/16/63/529181663.db2.gz PGCFNEXVYMLJPU-OAHLLOKOSA-N 2 1 250.386 2.435 20 0 CEADMP CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C1CCC1 ZINC000324815113 538889923 /nfs/dbraw/zinc/88/99/23/538889923.db2.gz ULRUDIWIHSBAKE-CABCVRRESA-N 2 1 256.434 2.246 20 0 CEADMP [NH3+]CCC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000098145322 538817433 /nfs/dbraw/zinc/81/74/33/538817433.db2.gz VIQFVCWBQRWTSO-UHFFFAOYSA-N 2 1 288.222 2.464 20 0 CEADMP O[C@H](C[N@H+](CC1CC1)C1CCCCC1)C[NH+]1CCCC1 ZINC000727932194 574458850 /nfs/dbraw/zinc/45/88/50/574458850.db2.gz YTTJPMIZBXCNPT-KRWDZBQOSA-N 2 1 280.456 2.488 20 0 CEADMP O[C@H](C[N@@H+](CC1CC1)C1CCCCC1)C[NH+]1CCCC1 ZINC000727932194 574458851 /nfs/dbraw/zinc/45/88/51/574458851.db2.gz YTTJPMIZBXCNPT-KRWDZBQOSA-N 2 1 280.456 2.488 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000571531317 574464371 /nfs/dbraw/zinc/46/43/71/574464371.db2.gz JGGKUPCSCGBDDX-BHYGNILZSA-N 2 1 275.440 2.362 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000735650238 574763561 /nfs/dbraw/zinc/76/35/61/574763561.db2.gz NOIIDTHZOXYQTC-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000735650238 574763562 /nfs/dbraw/zinc/76/35/62/574763562.db2.gz NOIIDTHZOXYQTC-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000735650238 574763563 /nfs/dbraw/zinc/76/35/63/574763563.db2.gz NOIIDTHZOXYQTC-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)[NH2+]C1CCC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000964184825 613942830 /nfs/dbraw/zinc/94/28/30/613942830.db2.gz JTMOQGNGEZVCJE-QQFBHYJXSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC000960682878 614265354 /nfs/dbraw/zinc/26/53/54/614265354.db2.gz MNEGOFQBDMSKEZ-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC000960682878 614265355 /nfs/dbraw/zinc/26/53/55/614265355.db2.gz MNEGOFQBDMSKEZ-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC000960682878 614265356 /nfs/dbraw/zinc/26/53/56/614265356.db2.gz MNEGOFQBDMSKEZ-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948767495 614347400 /nfs/dbraw/zinc/34/74/00/614347400.db2.gz XSTFEQDJKJLBIC-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000948767495 614347402 /nfs/dbraw/zinc/34/74/02/614347402.db2.gz XSTFEQDJKJLBIC-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000948767495 614347404 /nfs/dbraw/zinc/34/74/04/614347404.db2.gz XSTFEQDJKJLBIC-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000950708043 614595013 /nfs/dbraw/zinc/59/50/13/614595013.db2.gz JDMGGBWEVQKUJA-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000950708043 614595016 /nfs/dbraw/zinc/59/50/16/614595016.db2.gz JDMGGBWEVQKUJA-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000982018951 614977548 /nfs/dbraw/zinc/97/75/48/614977548.db2.gz NQPAAXCJQDQAOA-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969002186 615107198 /nfs/dbraw/zinc/10/71/98/615107198.db2.gz MCWHARQKBSCBJZ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000969002186 615107200 /nfs/dbraw/zinc/10/72/00/615107200.db2.gz MCWHARQKBSCBJZ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000969002186 615107202 /nfs/dbraw/zinc/10/72/02/615107202.db2.gz MCWHARQKBSCBJZ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000942052537 615208085 /nfs/dbraw/zinc/20/80/85/615208085.db2.gz GKPDDRSFTLPZMF-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(=O)OC[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000892462921 625529759 /nfs/dbraw/zinc/52/97/59/625529759.db2.gz WQHWTESESVTNMF-AWEZNQCLSA-N 2 1 278.396 2.050 20 0 CEADMP CCC[C@@H](C)[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926643354 625608747 /nfs/dbraw/zinc/60/87/47/625608747.db2.gz GIFMSTFWAQVYGQ-ZCRFILTFSA-N 2 1 298.471 2.015 20 0 CEADMP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000890878488 623034100 /nfs/dbraw/zinc/03/41/00/623034100.db2.gz BNUNSTMINMJHAG-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCOc2cccc(Br)c2)C1 ZINC000050247848 623373135 /nfs/dbraw/zinc/37/31/35/623373135.db2.gz COJHBVXWGDQEPQ-NSHDSACASA-N 2 1 299.212 2.109 20 0 CEADMP CC(C)(C)C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000307840154 623381271 /nfs/dbraw/zinc/38/12/71/623381271.db2.gz BEYQKXAYLMTOKQ-LSDHHAIUSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2cnn(-c3ccccc3)n2)CC1 ZINC000261922004 623628098 /nfs/dbraw/zinc/62/80/98/623628098.db2.gz HZXSSNUSEUWZQP-UHFFFAOYSA-N 2 1 299.422 2.089 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]CCCCN2CC[NH+](C)CC2)s1 ZINC000090402663 623684100 /nfs/dbraw/zinc/68/41/00/623684100.db2.gz PKLPSJUQQVJLBN-ZDUSSCGKSA-N 2 1 296.484 2.130 20 0 CEADMP CNc1cc(NC[C@@H](c2ccccc2)[NH+](C)C)nc[nH+]1 ZINC000891450532 623705017 /nfs/dbraw/zinc/70/50/17/623705017.db2.gz MREBHDZETZUWOE-ZDUSSCGKSA-N 2 1 271.368 2.233 20 0 CEADMP Cc1oc2ccccc2c1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000926174030 623742532 /nfs/dbraw/zinc/74/25/32/623742532.db2.gz ONLXXGLJWUEBQI-YVEFUNNKSA-N 2 1 288.391 2.458 20 0 CEADMP Cc1oc2ccccc2c1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000926174030 623742535 /nfs/dbraw/zinc/74/25/35/623742535.db2.gz ONLXXGLJWUEBQI-YVEFUNNKSA-N 2 1 288.391 2.458 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC000933439451 623744564 /nfs/dbraw/zinc/74/45/64/623744564.db2.gz PVVYIEPEGPCPFZ-PMPSAXMXSA-N 2 1 295.471 2.048 20 0 CEADMP Cc1csc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000261950965 623758659 /nfs/dbraw/zinc/75/86/59/623758659.db2.gz FZXCXNGQEZIEEF-UHFFFAOYSA-N 2 1 251.399 2.027 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000132850343 625679137 /nfs/dbraw/zinc/67/91/37/625679137.db2.gz VQJDZHDKCPMOAP-BPQIPLTHSA-N 2 1 289.467 2.232 20 0 CEADMP Cc1noc(C[C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000933568408 623846413 /nfs/dbraw/zinc/84/64/13/623846413.db2.gz HFNVZEJQCBJRDO-CABCVRRESA-N 2 1 292.427 2.117 20 0 CEADMP Cc1noc(C[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000933568408 623846419 /nfs/dbraw/zinc/84/64/19/623846419.db2.gz HFNVZEJQCBJRDO-CABCVRRESA-N 2 1 292.427 2.117 20 0 CEADMP Cc1noc(C[C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000933568408 623846427 /nfs/dbraw/zinc/84/64/27/623846427.db2.gz HFNVZEJQCBJRDO-CABCVRRESA-N 2 1 292.427 2.117 20 0 CEADMP CCC(CC)[C@H](CNc1nc(N)cc(C)[nH+]1)[NH+](C)C ZINC000891681236 623895343 /nfs/dbraw/zinc/89/53/43/623895343.db2.gz SDBBUNPBWMDTKV-LBPRGKRZSA-N 2 1 265.405 2.146 20 0 CEADMP C[C@H]1CC2(CC([NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)C2)CO1 ZINC000926286250 624079118 /nfs/dbraw/zinc/07/91/18/624079118.db2.gz DKMDQXRDYVGMCM-JUVOFCAFSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@H]1CC2(CC([NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)C2)CO1 ZINC000926286250 624079122 /nfs/dbraw/zinc/07/91/22/624079122.db2.gz DKMDQXRDYVGMCM-JUVOFCAFSA-N 2 1 296.455 2.035 20 0 CEADMP CC(C)C[C@H]1COCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892021452 624254798 /nfs/dbraw/zinc/25/47/98/624254798.db2.gz IJKQZHKXQTZVGF-HNNXBMFYSA-N 2 1 254.418 2.075 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn4ccnc4s3)CC[C@@H]21 ZINC000892231147 624440407 /nfs/dbraw/zinc/44/04/07/624440407.db2.gz VVUCDGALWFOTDI-JSGCOSHPSA-N 2 1 290.436 2.312 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn4ccnc4s3)CC[C@@H]21 ZINC000892231147 624440409 /nfs/dbraw/zinc/44/04/09/624440409.db2.gz VVUCDGALWFOTDI-JSGCOSHPSA-N 2 1 290.436 2.312 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn4ccnc4s3)CC[C@@H]21 ZINC000892231147 624440411 /nfs/dbraw/zinc/44/04/11/624440411.db2.gz VVUCDGALWFOTDI-JSGCOSHPSA-N 2 1 290.436 2.312 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn4ccnc4s3)CC[C@@H]21 ZINC000892231147 624440414 /nfs/dbraw/zinc/44/04/14/624440414.db2.gz VVUCDGALWFOTDI-JSGCOSHPSA-N 2 1 290.436 2.312 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(C)(C)C ZINC000848984647 624519291 /nfs/dbraw/zinc/51/92/91/624519291.db2.gz OOYPAUGEMKCVMA-GFCCVEGCSA-N 2 1 254.422 2.021 20 0 CEADMP Cn1ncc2ccc(C[NH2+]C3[C@@H]4CC[C@H]3C[N@H+](C)C4)cc21 ZINC000926459311 624797685 /nfs/dbraw/zinc/79/76/85/624797685.db2.gz YPXVLKNKLURXRW-FKEKPDDDSA-N 2 1 284.407 2.003 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091847101 625056556 /nfs/dbraw/zinc/05/65/56/625056556.db2.gz UNQYNYIHRVNXCI-NFOMZHRRSA-N 2 1 283.460 2.273 20 0 CEADMP CC(C)NC(=[NH2+])NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309673926 625264869 /nfs/dbraw/zinc/26/48/69/625264869.db2.gz VEHQCPDPTKFEDH-OAHLLOKOSA-N 2 1 274.412 2.031 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)o1 ZINC000892509911 625741298 /nfs/dbraw/zinc/74/12/98/625741298.db2.gz FBFVKEYNKVIGFB-LLVKDONJSA-N 2 1 263.341 2.219 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CCNc1nc(N)cc(C)[nH+]1 ZINC000892520899 625890186 /nfs/dbraw/zinc/89/01/86/625890186.db2.gz GHDCZAOBFQLULF-GFCCVEGCSA-N 2 1 263.389 2.044 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNc1nc(N)cc(C)[nH+]1 ZINC000892520899 625890192 /nfs/dbraw/zinc/89/01/92/625890192.db2.gz GHDCZAOBFQLULF-GFCCVEGCSA-N 2 1 263.389 2.044 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000926738492 625930186 /nfs/dbraw/zinc/93/01/86/625930186.db2.gz LVPSQCIXYNLGHO-HRBLRVMOSA-N 2 1 291.483 2.038 20 0 CEADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000926738492 625930190 /nfs/dbraw/zinc/93/01/90/625930190.db2.gz LVPSQCIXYNLGHO-HRBLRVMOSA-N 2 1 291.483 2.038 20 0 CEADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926738492 625930194 /nfs/dbraw/zinc/93/01/94/625930194.db2.gz LVPSQCIXYNLGHO-HRBLRVMOSA-N 2 1 291.483 2.038 20 0 CEADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC[NH+](CC2CC2)C1 ZINC000926738492 625930198 /nfs/dbraw/zinc/93/01/98/625930198.db2.gz LVPSQCIXYNLGHO-HRBLRVMOSA-N 3 1 291.483 2.038 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC[NH+](CC2CC2)C1 ZINC000926738492 625930203 /nfs/dbraw/zinc/93/02/03/625930203.db2.gz LVPSQCIXYNLGHO-HRBLRVMOSA-N 3 1 291.483 2.038 20 0 CEADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000926738492 625930210 /nfs/dbraw/zinc/93/02/10/625930210.db2.gz LVPSQCIXYNLGHO-HRBLRVMOSA-N 3 1 291.483 2.038 20 0 CEADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926738492 625930215 /nfs/dbraw/zinc/93/02/15/625930215.db2.gz LVPSQCIXYNLGHO-HRBLRVMOSA-N 3 1 291.483 2.038 20 0 CEADMP CC(C)(C)[S@@](=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820811894 634536850 /nfs/dbraw/zinc/53/68/50/634536850.db2.gz XWGNWUZWISSPKX-RPCSZTRESA-N 2 1 298.496 2.281 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000892591605 627295348 /nfs/dbraw/zinc/29/53/48/627295348.db2.gz JCQJUQUTZXWRPV-IYBDPMFKSA-N 3 1 281.488 2.286 20 0 CEADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C2CC2)n1 ZINC000892608997 627307204 /nfs/dbraw/zinc/30/72/04/627307204.db2.gz UBDCMXWQGITGNF-LSDHHAIUSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C2CC2)n1 ZINC000892608997 627307205 /nfs/dbraw/zinc/30/72/05/627307205.db2.gz UBDCMXWQGITGNF-LSDHHAIUSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C2CC2)n1 ZINC000892608995 627307269 /nfs/dbraw/zinc/30/72/69/627307269.db2.gz UBDCMXWQGITGNF-GJZGRUSLSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C2CC2)n1 ZINC000892608995 627307272 /nfs/dbraw/zinc/30/72/72/627307272.db2.gz UBDCMXWQGITGNF-GJZGRUSLSA-N 2 1 274.412 2.014 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]C(C)C ZINC001025168676 627365801 /nfs/dbraw/zinc/36/58/01/627365801.db2.gz SPMSFSQXCMZUMD-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C[NH+]1CCCCC1 ZINC000902320241 634569063 /nfs/dbraw/zinc/56/90/63/634569063.db2.gz PGTYAZMYUVXYFC-HOTGVXAUSA-N 3 1 281.488 2.476 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166585478 627642105 /nfs/dbraw/zinc/64/21/05/627642105.db2.gz RWUGUZXWIZLMQZ-BFYDXBDKSA-N 2 1 274.408 2.245 20 0 CEADMP CC[C@H]1COC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000924601491 627728328 /nfs/dbraw/zinc/72/83/28/627728328.db2.gz GDPPVCHIRCJFBB-YJBOKZPZSA-N 2 1 288.435 2.449 20 0 CEADMP CC[C@H]1COC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000924601491 627728333 /nfs/dbraw/zinc/72/83/33/627728333.db2.gz GDPPVCHIRCJFBB-YJBOKZPZSA-N 2 1 288.435 2.449 20 0 CEADMP c1ccc(SCC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000328471614 627886234 /nfs/dbraw/zinc/88/62/34/627886234.db2.gz HBEBTXBVZMVTQI-AMSCCUFHSA-N 2 1 274.433 2.365 20 0 CEADMP CC[C@H](CO)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000930459663 628004064 /nfs/dbraw/zinc/00/40/64/628004064.db2.gz HXMRHJHEGDGGDK-QZTJIDSGSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@H](CO)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000930459663 628004069 /nfs/dbraw/zinc/00/40/69/628004069.db2.gz HXMRHJHEGDGGDK-QZTJIDSGSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@H](CO)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000930459663 628004074 /nfs/dbraw/zinc/00/40/74/628004074.db2.gz HXMRHJHEGDGGDK-QZTJIDSGSA-N 2 1 288.435 2.355 20 0 CEADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC1([NH3+])CC1 ZINC000902407070 634622058 /nfs/dbraw/zinc/62/20/58/634622058.db2.gz OZAIWYLSWURMIS-CQSZACIVSA-N 2 1 260.381 2.499 20 0 CEADMP CC[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(OC)c(OC)c1 ZINC000902415423 634641481 /nfs/dbraw/zinc/64/14/81/634641481.db2.gz NSCVLXGTHBVTRW-LBPRGKRZSA-N 2 1 264.369 2.236 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(-n2cccn2)cc1 ZINC000902416646 634642548 /nfs/dbraw/zinc/64/25/48/634642548.db2.gz VKEHBJQLBSNYHY-GFCCVEGCSA-N 2 1 256.353 2.014 20 0 CEADMP CCCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000925609413 628291720 /nfs/dbraw/zinc/29/17/20/628291720.db2.gz UAJKVTDFYCNAIY-KBPBESRZSA-N 2 1 275.396 2.230 20 0 CEADMP CCOc1cccc(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000925615490 628300254 /nfs/dbraw/zinc/30/02/54/628300254.db2.gz HRZXAYHQPAWVGX-XJKSGUPXSA-N 2 1 262.397 2.358 20 0 CEADMP CC[NH2+]C1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001026507313 628340923 /nfs/dbraw/zinc/34/09/23/628340923.db2.gz PGJCUSFGOIHOHV-GPANFISMSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@](O)(CC[NH2+][C@@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925644873 628342982 /nfs/dbraw/zinc/34/29/82/628342982.db2.gz OFWFZUNFSWPPSW-ZBFHGGJFSA-N 2 1 262.397 2.014 20 0 CEADMP CCCCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000311116119 628366007 /nfs/dbraw/zinc/36/60/07/628366007.db2.gz WKHPCOLGMWAQSX-HNNXBMFYSA-N 2 1 256.434 2.344 20 0 CEADMP CCCCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000311116119 628366010 /nfs/dbraw/zinc/36/60/10/628366010.db2.gz WKHPCOLGMWAQSX-HNNXBMFYSA-N 2 1 256.434 2.344 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)[C@@H]1CCC[NH2+]1 ZINC000902433208 634654388 /nfs/dbraw/zinc/65/43/88/634654388.db2.gz YRKXINMJFJLTSK-QPSCCSFWSA-N 2 1 252.402 2.064 20 0 CEADMP [NH3+]CCC[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000925679715 628474422 /nfs/dbraw/zinc/47/44/22/628474422.db2.gz MGAKGDGGSLSLDH-CQSZACIVSA-N 2 1 285.395 2.252 20 0 CEADMP [NH3+]CCC[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccccc1 ZINC000925679715 628474424 /nfs/dbraw/zinc/47/44/24/628474424.db2.gz MGAKGDGGSLSLDH-CQSZACIVSA-N 2 1 285.395 2.252 20 0 CEADMP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902443079 634660590 /nfs/dbraw/zinc/66/05/90/634660590.db2.gz CKNFABQWZXGEKO-IUODEOHRSA-N 2 1 262.397 2.214 20 0 CEADMP CC1(C)C[C@]1(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000925732491 628686250 /nfs/dbraw/zinc/68/62/50/628686250.db2.gz BYIYZDXAQGCMQK-DSJMHWKBSA-N 2 1 266.429 2.169 20 0 CEADMP CC1(C)CC[N@@H+](CCN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000902456043 634677720 /nfs/dbraw/zinc/67/77/20/634677720.db2.gz NDCCNQPMHUFJRC-HOTGVXAUSA-N 2 1 273.424 2.453 20 0 CEADMP CC1(C)CC[N@@H+](CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000902456045 634678117 /nfs/dbraw/zinc/67/81/17/634678117.db2.gz NDCCNQPMHUFJRC-JKSUJKDBSA-N 2 1 273.424 2.453 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)[C@H]1CCCC[NH2+]1 ZINC000902459028 634679546 /nfs/dbraw/zinc/67/95/46/634679546.db2.gz AQSAPENGVNXTKL-HZSPNIEDSA-N 2 1 254.418 2.454 20 0 CEADMP Cc1cc(N)nc(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)[nH+]1 ZINC000893586117 628760072 /nfs/dbraw/zinc/76/00/72/628760072.db2.gz WVEIUYMDOFENEL-IUODEOHRSA-N 2 1 285.395 2.471 20 0 CEADMP CC1(C)CCC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000399183305 628782258 /nfs/dbraw/zinc/78/22/58/628782258.db2.gz MSBTYYZDNOAJEJ-AWEZNQCLSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000925783103 628814826 /nfs/dbraw/zinc/81/48/26/628814826.db2.gz CMZGVFRZTRNOQJ-ISTVAULSSA-N 2 1 266.335 2.397 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(O)c1 ZINC000925786094 628824980 /nfs/dbraw/zinc/82/49/80/628824980.db2.gz VSPFPKHCTFQTAZ-JQWIXIFHSA-N 2 1 270.323 2.288 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1NCCCCCC1CC[NH2+]CC1 ZINC000925806380 628857110 /nfs/dbraw/zinc/85/71/10/628857110.db2.gz CNSUNHVLQHBRPC-HNNXBMFYSA-N 2 1 267.461 2.277 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925806213 628857413 /nfs/dbraw/zinc/85/74/13/628857413.db2.gz YGXZNJAEVLDSGS-PBHICJAKSA-N 2 1 284.407 2.145 20 0 CEADMP N[C@H]1C[C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)C12CCC2 ZINC000925810384 628861978 /nfs/dbraw/zinc/86/19/78/628861978.db2.gz ZYUMWTNAAYXUBA-JKSUJKDBSA-N 2 1 279.472 2.406 20 0 CEADMP N[C@@H]1C[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)C12CCC2 ZINC000925810379 628861996 /nfs/dbraw/zinc/86/19/96/628861996.db2.gz ZYUMWTNAAYXUBA-CVEARBPZSA-N 2 1 279.472 2.406 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1OC ZINC000902465872 634684272 /nfs/dbraw/zinc/68/42/72/634684272.db2.gz GLWAMXIASZDSPN-FAAHXZRKSA-N 2 1 290.407 2.117 20 0 CEADMP Cc1cc(F)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c(F)c1 ZINC000925874025 628973318 /nfs/dbraw/zinc/97/33/18/628973318.db2.gz GRICXQUTUYTGRC-IXPVHAAZSA-N 2 1 284.350 2.115 20 0 CEADMP CCOCCOCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925874016 628973535 /nfs/dbraw/zinc/97/35/35/628973535.db2.gz GKLYCCBJRPBGSZ-SJORKVTESA-N 2 1 292.423 2.122 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000924870479 629136083 /nfs/dbraw/zinc/13/60/83/629136083.db2.gz ACUZRAOPONOSGG-LBPRGKRZSA-N 2 1 273.384 2.464 20 0 CEADMP Cc1ncoc1CNCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000894183090 629195736 /nfs/dbraw/zinc/19/57/36/629195736.db2.gz JAYBDGUOSXORKM-BETUJISGSA-N 2 1 265.401 2.441 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000878104472 629221584 /nfs/dbraw/zinc/22/15/84/629221584.db2.gz LYOZTAKSYHKHDB-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1nc2ccc(C[N@H+]3CC[C@@H](C[NH3+])C3)cc2s1 ZINC000261938092 629347233 /nfs/dbraw/zinc/34/72/33/629347233.db2.gz MJIQXXISWPENBJ-LBPRGKRZSA-N 2 1 261.394 2.385 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000925009967 629349639 /nfs/dbraw/zinc/34/96/39/629349639.db2.gz JWAXFAYRWDVMQE-CJNGLKHVSA-N 2 1 266.429 2.123 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]CCC(C)(C)C)CC1 ZINC000894377943 629409143 /nfs/dbraw/zinc/40/91/43/629409143.db2.gz IRBVFFYERGKRHR-UHFFFAOYSA-N 2 1 255.450 2.040 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1F ZINC000262028131 629450495 /nfs/dbraw/zinc/45/04/95/629450495.db2.gz WWHZXXJOTVZVDY-GFCCVEGCSA-N 2 1 252.333 2.005 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1F ZINC000262028131 629450498 /nfs/dbraw/zinc/45/04/98/629450498.db2.gz WWHZXXJOTVZVDY-GFCCVEGCSA-N 2 1 252.333 2.005 20 0 CEADMP COCCCC1(C[N@@H+](C)CCC[NH+](C)C)CCC1 ZINC000894448436 629467594 /nfs/dbraw/zinc/46/75/94/629467594.db2.gz CGLSEFAEOIFEKB-UHFFFAOYSA-N 2 1 256.434 2.467 20 0 CEADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(O)c(F)c2)C1 ZINC000894497325 629491506 /nfs/dbraw/zinc/49/15/06/629491506.db2.gz XECMIULGRQNWCR-ZFWWWQNUSA-N 2 1 278.371 2.447 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(O)c(F)c2)C1 ZINC000894497325 629491512 /nfs/dbraw/zinc/49/15/12/629491512.db2.gz XECMIULGRQNWCR-ZFWWWQNUSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(O)c(F)c2)C1 ZINC000894497325 629491514 /nfs/dbraw/zinc/49/15/14/629491514.db2.gz XECMIULGRQNWCR-ZFWWWQNUSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(O)c(F)c2)C1 ZINC000894497325 629491519 /nfs/dbraw/zinc/49/15/19/629491519.db2.gz XECMIULGRQNWCR-ZFWWWQNUSA-N 2 1 278.371 2.447 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)o1 ZINC000894495464 629497754 /nfs/dbraw/zinc/49/77/54/629497754.db2.gz JZLFLAOPTGSTLZ-GXTWGEPZSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)o1 ZINC000894495464 629497756 /nfs/dbraw/zinc/49/77/56/629497756.db2.gz JZLFLAOPTGSTLZ-GXTWGEPZSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)o1 ZINC000894495464 629497758 /nfs/dbraw/zinc/49/77/58/629497758.db2.gz JZLFLAOPTGSTLZ-GXTWGEPZSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)o1 ZINC000894495464 629497760 /nfs/dbraw/zinc/49/77/60/629497760.db2.gz JZLFLAOPTGSTLZ-GXTWGEPZSA-N 2 1 264.369 2.204 20 0 CEADMP CC(C)[C@@H](CO)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000894723539 629613631 /nfs/dbraw/zinc/61/36/31/629613631.db2.gz IEZSEXRYMJDHJQ-SLUKUZTOSA-N 2 1 282.472 2.490 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2nccn2C2CC2)C1 ZINC000894861273 629698597 /nfs/dbraw/zinc/69/85/97/629698597.db2.gz RFOIMITVLQEIIC-CYBMUJFWSA-N 2 1 262.401 2.040 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000894861911 629699577 /nfs/dbraw/zinc/69/95/77/629699577.db2.gz YLRQBZDOEQHHEP-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000909439534 629865049 /nfs/dbraw/zinc/86/50/49/629865049.db2.gz PUNQGAJQNAOORK-OAHLLOKOSA-N 2 1 295.471 2.192 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)o1 ZINC000796782359 630003295 /nfs/dbraw/zinc/00/32/95/630003295.db2.gz ZYHMUYZNUQSKTE-KBUPBQIOSA-N 2 1 278.396 2.084 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC[N@@H+]1C ZINC000895204127 630031912 /nfs/dbraw/zinc/03/19/12/630031912.db2.gz FWICWHAVYPJECI-OCCSQVGLSA-N 2 1 285.391 2.100 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC[N@H+]1C ZINC000895204127 630031917 /nfs/dbraw/zinc/03/19/17/630031917.db2.gz FWICWHAVYPJECI-OCCSQVGLSA-N 2 1 285.391 2.100 20 0 CEADMP Cc1ncc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000796840040 630032739 /nfs/dbraw/zinc/03/27/39/630032739.db2.gz VHJNUDQPWAGQCX-RBSFLKMASA-N 2 1 279.453 2.456 20 0 CEADMP C[C@H](CC[NH2+]Cc1ccc(C(F)F)nc1)[NH+](C)C ZINC000895290874 630079930 /nfs/dbraw/zinc/07/99/30/630079930.db2.gz VFKOBVNKNUCGCW-SNVBAGLBSA-N 2 1 257.328 2.449 20 0 CEADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1CCCc1cnn(C)c1 ZINC000895378172 630149797 /nfs/dbraw/zinc/14/97/97/630149797.db2.gz HSEVWKWKDUAKJR-NVXWUHKLSA-N 2 1 292.471 2.405 20 0 CEADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895378644 630150255 /nfs/dbraw/zinc/15/02/55/630150255.db2.gz RJXAYHQYKOHWGZ-CJNGLKHVSA-N 2 1 278.444 2.281 20 0 CEADMP Cc1nn(C)cc1C[N@@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895378644 630150257 /nfs/dbraw/zinc/15/02/57/630150257.db2.gz RJXAYHQYKOHWGZ-CJNGLKHVSA-N 2 1 278.444 2.281 20 0 CEADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(CO)o1 ZINC000895380049 630150994 /nfs/dbraw/zinc/15/09/94/630150994.db2.gz XEPHYGQYUOJTOW-CJNGLKHVSA-N 2 1 280.412 2.324 20 0 CEADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(CO)o1 ZINC000895380049 630150999 /nfs/dbraw/zinc/15/09/99/630150999.db2.gz XEPHYGQYUOJTOW-CJNGLKHVSA-N 2 1 280.412 2.324 20 0 CEADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1CC[C@H]1CCOC1 ZINC000895379800 630151198 /nfs/dbraw/zinc/15/11/98/630151198.db2.gz VZDSIRLUVXHRGO-OWCLPIDISA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C)C1CC1 ZINC000895381970 630152804 /nfs/dbraw/zinc/15/28/04/630152804.db2.gz YMBJIBMTNQTWGR-CWRNSKLLSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@](C)(C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C1CC1 ZINC000895556373 630247503 /nfs/dbraw/zinc/24/75/03/630247503.db2.gz JAADTCOGUFQQNS-WMLDXEAASA-N 2 1 289.423 2.407 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(O)c2)CCN1c1cc[nH+]cc1 ZINC000895558251 630248242 /nfs/dbraw/zinc/24/82/42/630248242.db2.gz URTUJZYCAJEGBF-AWEZNQCLSA-N 2 1 283.375 2.498 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@H]2CCSC2)CCN1c1cc[nH+]cc1 ZINC000895557945 630248524 /nfs/dbraw/zinc/24/85/24/630248524.db2.gz TXGPULUCXWDFIY-KBPBESRZSA-N 2 1 277.437 2.345 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cncnc1 ZINC000895684475 630306594 /nfs/dbraw/zinc/30/65/94/630306594.db2.gz CVJQRLKLBSDMKY-UHFFFAOYSA-N 2 1 262.401 2.175 20 0 CEADMP CCO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCOC)CC2)C1 ZINC000902766786 634817633 /nfs/dbraw/zinc/81/76/33/634817633.db2.gz RPEGXPCQCZOVEO-HOTGVXAUSA-N 2 1 284.444 2.035 20 0 CEADMP c1cc(NC[C@@H]2CC[N@H+]2C2CCOCC2)c(C2CC2)c[nH+]1 ZINC000896526134 630589541 /nfs/dbraw/zinc/58/95/41/630589541.db2.gz UBAIHIZQTKZWOO-HNNXBMFYSA-N 2 1 287.407 2.046 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000054239768 630695625 /nfs/dbraw/zinc/69/56/25/630695625.db2.gz CNWWDPLHMUEOHS-HNNXBMFYSA-N 3 1 267.461 2.182 20 0 CEADMP C[C@@H](CCO)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000798002513 630799719 /nfs/dbraw/zinc/79/97/19/630799719.db2.gz JIWONTUPNIRGTD-ZFWWWQNUSA-N 2 1 254.418 2.144 20 0 CEADMP C[NH2+]CC1CC[NH+](C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904300192 635554365 /nfs/dbraw/zinc/55/43/65/635554365.db2.gz YMRNCDUGUAOXAC-CQSZACIVSA-N 3 1 255.450 2.071 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000904323105 635569714 /nfs/dbraw/zinc/56/97/14/635569714.db2.gz MNLUKQPLTQWSLJ-RKLWJJNISA-N 2 1 278.371 2.325 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCc2c(F)cc(O)cc2F)CC[N@H+]1C ZINC000897304559 631069546 /nfs/dbraw/zinc/06/95/46/631069546.db2.gz GMPIQDXTQNZXKP-GHMZBOCLSA-N 2 1 284.350 2.285 20 0 CEADMP C[C@]1(C[N@H+]2CCc3ccc(O)cc3CC2)CCC[NH2+]C1 ZINC000904335602 635577528 /nfs/dbraw/zinc/57/75/28/635577528.db2.gz GVKBKOUSZULJBL-KRWDZBQOSA-N 2 1 274.408 2.183 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](CCO)Cc2ccccc2)[C@@H](C)C1 ZINC000799730548 631072990 /nfs/dbraw/zinc/07/29/90/631072990.db2.gz HSRQVMOGUKLOHB-JQHSSLGASA-N 2 1 290.451 2.300 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3cc(Cl)ccc3C2)C1 ZINC000904341790 635579139 /nfs/dbraw/zinc/57/91/39/635579139.db2.gz WBICSFCQKFVWKH-WJONMLJTSA-N 2 1 250.773 2.435 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)COC(C)C)cn1 ZINC000800225357 631099706 /nfs/dbraw/zinc/09/97/06/631099706.db2.gz YHLAWIYKETVUOH-ZDUSSCGKSA-N 2 1 288.395 2.479 20 0 CEADMP CCc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000904421089 635633084 /nfs/dbraw/zinc/63/30/84/635633084.db2.gz OECOKNABXVAPAI-NWDGAFQWSA-N 2 1 250.411 2.352 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](C3CC3)O2)CC1(C)C ZINC000897503797 631589743 /nfs/dbraw/zinc/58/97/43/631589743.db2.gz RNXYAKZIWWQSOM-ZNMIVQPWSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ncc[nH]2)C1 ZINC000067691921 631667586 /nfs/dbraw/zinc/66/75/86/631667586.db2.gz UOMOKYBTBLUUIW-OKILXGFUSA-N 2 1 264.417 2.257 20 0 CEADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000806137986 631718202 /nfs/dbraw/zinc/71/82/02/631718202.db2.gz PYBWNHYUQLDLNC-TUVASFSCSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000806137986 631718207 /nfs/dbraw/zinc/71/82/07/631718207.db2.gz PYBWNHYUQLDLNC-TUVASFSCSA-N 2 1 266.429 2.264 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](Cc3nccs3)C2)CC1 ZINC000898068084 632041853 /nfs/dbraw/zinc/04/18/53/632041853.db2.gz LAJFVZUSOHWEPU-AWEZNQCLSA-N 2 1 279.453 2.349 20 0 CEADMP C[N@H+]1CC[C@@H](C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000898298578 632157236 /nfs/dbraw/zinc/15/72/36/632157236.db2.gz PSWFSXNYAVWGSG-CYBMUJFWSA-N 2 1 296.374 2.137 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000810612528 632239378 /nfs/dbraw/zinc/23/93/78/632239378.db2.gz DVSBONCCCCJGBT-LLVKDONJSA-N 2 1 284.319 2.085 20 0 CEADMP CCO[C@@H](C[NH2+][C@H](C)c1cccs1)CN(C)C ZINC000926966926 632397657 /nfs/dbraw/zinc/39/76/57/632397657.db2.gz YWMXYYAFNSSLJA-NEPJUHHUSA-N 2 1 256.415 2.365 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000927124578 632471580 /nfs/dbraw/zinc/47/15/80/632471580.db2.gz MHQCHPZTTHIFBM-QGPPMGRFSA-N 2 1 278.440 2.408 20 0 CEADMP Cc1ccc(OC[C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000817897604 633758108 /nfs/dbraw/zinc/75/81/08/633758108.db2.gz SVKGISAQIOMLQI-IIAWOOMASA-N 2 1 262.397 2.492 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000817912652 633771007 /nfs/dbraw/zinc/77/10/07/633771007.db2.gz KZBPUYLGSCQHGT-GYSYKLTISA-N 2 1 275.352 2.250 20 0 CEADMP Cc1ncc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)s1 ZINC000817916222 633774447 /nfs/dbraw/zinc/77/44/47/633774447.db2.gz VQTXMGICCAIFPG-GXFFZTMASA-N 2 1 253.415 2.114 20 0 CEADMP CC[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817924826 633781903 /nfs/dbraw/zinc/78/19/03/633781903.db2.gz YPZCDHYFDZSHQV-YESZJQIVSA-N 2 1 276.424 2.404 20 0 CEADMP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900585954 633782171 /nfs/dbraw/zinc/78/21/71/633782171.db2.gz DWFZHADTFHQQEM-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](C)CC1 ZINC000900695360 633801490 /nfs/dbraw/zinc/80/14/90/633801490.db2.gz QNBVLDWOTHFJJH-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000817964934 633806171 /nfs/dbraw/zinc/80/61/71/633806171.db2.gz JUJHUNPCUMPOTF-ABAIWWIYSA-N 2 1 289.379 2.031 20 0 CEADMP CC[NH+](CC)CCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900688365 633809149 /nfs/dbraw/zinc/80/91/49/633809149.db2.gz HNJFQMGEIJVUQW-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)nc1 ZINC000817971440 633814948 /nfs/dbraw/zinc/81/49/48/633814948.db2.gz NBPIKPNDJIUFMH-JFGNBEQYSA-N 2 1 253.777 2.384 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000818966521 634020462 /nfs/dbraw/zinc/02/04/62/634020462.db2.gz RVLPJLCZJHECIE-MLGOLLRUSA-N 2 1 291.370 2.290 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2C)C1 ZINC000818981129 634027639 /nfs/dbraw/zinc/02/76/39/634027639.db2.gz RCSBVTSSDPVXEE-RHSMWYFYSA-N 2 1 294.414 2.489 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC000819151597 634084550 /nfs/dbraw/zinc/08/45/50/634084550.db2.gz BWTHTWFTRPQUDH-RHSMWYFYSA-N 2 1 294.414 2.427 20 0 CEADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000819278561 634125531 /nfs/dbraw/zinc/12/55/31/634125531.db2.gz QSEGQKXTLYAKDY-OFLPRAFFSA-N 2 1 292.398 2.466 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2ccccc2F)C1 ZINC000819366027 634156683 /nfs/dbraw/zinc/15/66/83/634156683.db2.gz HFPNJNJDCOCLOX-BBRMVZONSA-N 2 1 280.387 2.181 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000903039367 634941616 /nfs/dbraw/zinc/94/16/16/634941616.db2.gz RSBXYRXCBHEBAD-FIDHJVLJSA-N 2 1 280.456 2.367 20 0 CEADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cn1 ZINC000903066582 634952640 /nfs/dbraw/zinc/95/26/40/634952640.db2.gz LKLPVCKUROFTDX-VHRNVKJDSA-N 2 1 287.407 2.338 20 0 CEADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cn1 ZINC000903066582 634952645 /nfs/dbraw/zinc/95/26/45/634952645.db2.gz LKLPVCKUROFTDX-VHRNVKJDSA-N 2 1 287.407 2.338 20 0 CEADMP C[C@@H]1CCC[N@H+]1CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903103604 634971089 /nfs/dbraw/zinc/97/10/89/634971089.db2.gz KUBZPPBKSABNPA-ZBSSRIJBSA-N 2 1 277.456 2.218 20 0 CEADMP C[C@@H]1CCC[NH+]1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903103604 634971091 /nfs/dbraw/zinc/97/10/91/634971091.db2.gz KUBZPPBKSABNPA-ZBSSRIJBSA-N 2 1 277.456 2.218 20 0 CEADMP C[C@@H]1CCC[NH+]1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903103604 634971093 /nfs/dbraw/zinc/97/10/93/634971093.db2.gz KUBZPPBKSABNPA-ZBSSRIJBSA-N 2 1 277.456 2.218 20 0 CEADMP OCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCC1 ZINC000903152151 634997431 /nfs/dbraw/zinc/99/74/31/634997431.db2.gz MIPPRZPDYTXWDK-VHRNVKJDSA-N 2 1 278.440 2.287 20 0 CEADMP C[C@@H](CC(C)(C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903179809 635000417 /nfs/dbraw/zinc/00/04/17/635000417.db2.gz TZCQWTWOZVKYLY-YPRXJGMQSA-N 2 1 266.429 2.283 20 0 CEADMP CN(C)c1cc[nH+]c(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000903197669 635007671 /nfs/dbraw/zinc/00/76/71/635007671.db2.gz SJVNSXFGHJQGHB-CYBMUJFWSA-N 2 1 276.428 2.110 20 0 CEADMP OC[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903189988 635013476 /nfs/dbraw/zinc/01/34/76/635013476.db2.gz MKZCOMJAPMINER-AZGATIOISA-N 2 1 278.440 2.285 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](CO)CCc2ccccc2)[C@H](C)C1 ZINC000903290471 635053716 /nfs/dbraw/zinc/05/37/16/635053716.db2.gz WTECYHNJZWQXLW-NJAFHUGGSA-N 2 1 290.451 2.300 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CC[N@@H+]2C)CC1 ZINC000903322392 635056307 /nfs/dbraw/zinc/05/63/07/635056307.db2.gz MWPUOOVEVNSTFL-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CC[N@H+]2C)CC1 ZINC000903322392 635056309 /nfs/dbraw/zinc/05/63/09/635056309.db2.gz MWPUOOVEVNSTFL-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP CN1CC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000903318347 635064777 /nfs/dbraw/zinc/06/47/77/635064777.db2.gz ZNKWOZHSJWZLKM-QZTJIDSGSA-N 2 1 299.462 2.477 20 0 CEADMP CN1CC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000903318347 635064783 /nfs/dbraw/zinc/06/47/83/635064783.db2.gz ZNKWOZHSJWZLKM-QZTJIDSGSA-N 2 1 299.462 2.477 20 0 CEADMP CC[C@H](C[NH2+]C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000903354243 635082485 /nfs/dbraw/zinc/08/24/85/635082485.db2.gz KNWHSRPUDYMYGY-GFCCVEGCSA-N 2 1 270.417 2.038 20 0 CEADMP c1ccc([C@@]23C[C@@H]2C[N@H+](CC2CC[NH2+]CC2)C3)cc1 ZINC000903416513 635106800 /nfs/dbraw/zinc/10/68/00/635106800.db2.gz QVOCDIHMJKXRFB-SJORKVTESA-N 2 1 256.393 2.260 20 0 CEADMP CN(C)c1nccc2cc(NC(=O)CN3CCCC3)ccc21 ZINC000823257743 635114023 /nfs/dbraw/zinc/11/40/23/635114023.db2.gz DJQMANLNNFIPKR-UHFFFAOYSA-N 2 1 298.390 2.335 20 0 CEADMP CCS[C@@H]1CCCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903437615 635117849 /nfs/dbraw/zinc/11/78/49/635117849.db2.gz KNAAFXMUMPUBJN-HZSPNIEDSA-N 2 1 256.459 2.450 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC000903464950 635128670 /nfs/dbraw/zinc/12/86/70/635128670.db2.gz ZWWPQZMQTSXVBK-GOEBONIOSA-N 2 1 255.365 2.481 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC000903464950 635128699 /nfs/dbraw/zinc/12/86/99/635128699.db2.gz ZWWPQZMQTSXVBK-GOEBONIOSA-N 2 1 255.365 2.481 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)C1 ZINC000903454304 635138436 /nfs/dbraw/zinc/13/84/36/635138436.db2.gz ACPFQENOWRVPLY-BBWFWOEESA-N 2 1 274.408 2.057 20 0 CEADMP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@H]1C[C@H]2CCC[C@@H]2O1 ZINC000903481866 635149865 /nfs/dbraw/zinc/14/98/65/635149865.db2.gz ORDIJYDAKSMQID-APIJFGDWSA-N 2 1 264.413 2.208 20 0 CEADMP [NH3+]CCCCCCCN[C@H]1CC[NH2+]C12CCCC2 ZINC000903484678 635151718 /nfs/dbraw/zinc/15/17/18/635151718.db2.gz VCNMJTNXZDGZBR-AWEZNQCLSA-N 2 1 253.434 2.160 20 0 CEADMP c1ccc(CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000903506454 635155307 /nfs/dbraw/zinc/15/53/07/635155307.db2.gz VCAYEZLUEGLPDB-KDURUIRLSA-N 2 1 299.462 2.130 20 0 CEADMP c1ccc(CCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1 ZINC000903506454 635155311 /nfs/dbraw/zinc/15/53/11/635155311.db2.gz VCAYEZLUEGLPDB-KDURUIRLSA-N 2 1 299.462 2.130 20 0 CEADMP c1ccc(CCN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1 ZINC000903506454 635155313 /nfs/dbraw/zinc/15/53/13/635155313.db2.gz VCAYEZLUEGLPDB-KDURUIRLSA-N 2 1 299.462 2.130 20 0 CEADMP c1csc(C[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000903565251 635164023 /nfs/dbraw/zinc/16/40/23/635164023.db2.gz HRVZFHCHFUTMMW-QWHCGFSZSA-N 2 1 265.426 2.007 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000903565376 635164822 /nfs/dbraw/zinc/16/48/22/635164822.db2.gz IKZRVPWNJBFQEM-LBPRGKRZSA-N 2 1 253.415 2.007 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000903565376 635164823 /nfs/dbraw/zinc/16/48/23/635164823.db2.gz IKZRVPWNJBFQEM-LBPRGKRZSA-N 2 1 253.415 2.007 20 0 CEADMP C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000903566143 635164864 /nfs/dbraw/zinc/16/48/64/635164864.db2.gz JNYVXLRAAYQNPJ-GOEBONIOSA-N 2 1 262.397 2.230 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H]3CN(CC[NH+]4CCCC4)C[C@H]32)cc1 ZINC000823474529 635192363 /nfs/dbraw/zinc/19/23/63/635192363.db2.gz GESIKVNVXPHGNZ-RBUKOAKNSA-N 2 1 299.462 2.289 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718697 635233419 /nfs/dbraw/zinc/23/34/19/635233419.db2.gz QTLNWVXBSHRJFF-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)CC[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903721815 635234741 /nfs/dbraw/zinc/23/47/41/635234741.db2.gz FIFFUNWDQVXERU-CVEARBPZSA-N 2 1 266.429 2.266 20 0 CEADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+](C1CC1)C1CCCC1 ZINC000903722690 635235980 /nfs/dbraw/zinc/23/59/80/635235980.db2.gz DDAJLUZDQAFRFZ-JKSUJKDBSA-N 2 1 264.413 2.162 20 0 CEADMP CCS[C@@H]1CCCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903729529 635240434 /nfs/dbraw/zinc/24/04/34/635240434.db2.gz OAMKAJFIROGYRN-ARFHVFGLSA-N 2 1 298.496 2.363 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCOC2CCSCC2)C[C@@H]1C[NH3+] ZINC000903761345 635256060 /nfs/dbraw/zinc/25/60/60/635256060.db2.gz QFTBMQOHKVXFDU-RDBSUJKOSA-N 2 1 286.485 2.204 20 0 CEADMP C[N@@H+](CCC(C)(C)C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903764281 635257195 /nfs/dbraw/zinc/25/71/95/635257195.db2.gz QVCSEOBMIPYWOZ-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000903765660 635258313 /nfs/dbraw/zinc/25/83/13/635258313.db2.gz JTBOHILSKBUNNN-YESZJQIVSA-N 2 1 278.440 2.269 20 0 CEADMP FCCn1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000903768850 635259584 /nfs/dbraw/zinc/25/95/84/635259584.db2.gz SJFHLSZEPRYQNR-INIZCTEOSA-N 2 1 294.418 2.064 20 0 CEADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000903767395 635260061 /nfs/dbraw/zinc/26/00/61/635260061.db2.gz WLZCSCZPEMJTPY-LXTVHRRPSA-N 2 1 282.428 2.025 20 0 CEADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903757520 635261879 /nfs/dbraw/zinc/26/18/79/635261879.db2.gz DGCRYTYQIOURHB-GBJTYRQASA-N 2 1 252.402 2.018 20 0 CEADMP Cc1nnc([C@@H](C)[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)[nH]1 ZINC000903792565 635263080 /nfs/dbraw/zinc/26/30/80/635263080.db2.gz FGZXXESXIBXRLV-CYBMUJFWSA-N 2 1 299.422 2.167 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000903778242 635265542 /nfs/dbraw/zinc/26/55/42/635265542.db2.gz LNDLSBKLUQBPME-MELADBBJSA-N 2 1 254.443 2.061 20 0 CEADMP C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903781705 635267156 /nfs/dbraw/zinc/26/71/56/635267156.db2.gz UZRQGJOMKMBAIB-FUHWJXTLSA-N 2 1 299.418 2.368 20 0 CEADMP Cc1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)nc1 ZINC000903788026 635270044 /nfs/dbraw/zinc/27/00/44/635270044.db2.gz AHSLNOMNYYNRPX-HNNXBMFYSA-N 2 1 288.439 2.387 20 0 CEADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000903789016 635270916 /nfs/dbraw/zinc/27/09/16/635270916.db2.gz STERWJQJJCCFKM-BRSBDYLESA-N 2 1 290.451 2.266 20 0 CEADMP FC(F)(F)[C@H]1CCC[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000903788352 635271307 /nfs/dbraw/zinc/27/13/07/635271307.db2.gz IYOGSQJIVDUUIR-QNWHQSFQSA-N 2 1 292.345 2.028 20 0 CEADMP FC(F)(F)[C@H]1CCC[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000903788352 635271313 /nfs/dbraw/zinc/27/13/13/635271313.db2.gz IYOGSQJIVDUUIR-QNWHQSFQSA-N 2 1 292.345 2.028 20 0 CEADMP CCO[C@H](C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+])C1CC1 ZINC000903803634 635280095 /nfs/dbraw/zinc/28/00/95/635280095.db2.gz ZHICPTNFYUMPKQ-KFWWJZLASA-N 2 1 252.402 2.005 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+])C1CC1 ZINC000903803634 635280098 /nfs/dbraw/zinc/28/00/98/635280098.db2.gz ZHICPTNFYUMPKQ-KFWWJZLASA-N 2 1 252.402 2.005 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2C[C@@H](O)CCc1ccccc1 ZINC000903804213 635280855 /nfs/dbraw/zinc/28/08/55/635280855.db2.gz AXDMBULJAZHKDK-FGTMMUONSA-N 2 1 288.435 2.183 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2C[C@@H](O)CCc1ccccc1 ZINC000903804213 635280858 /nfs/dbraw/zinc/28/08/58/635280858.db2.gz AXDMBULJAZHKDK-FGTMMUONSA-N 2 1 288.435 2.183 20 0 CEADMP CCc1ccccc1C[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000903809509 635283647 /nfs/dbraw/zinc/28/36/47/635283647.db2.gz BDXCMPHGBCUSID-UHFFFAOYSA-N 2 1 262.397 2.189 20 0 CEADMP CCc1ccccc1C[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000903809509 635283652 /nfs/dbraw/zinc/28/36/52/635283652.db2.gz BDXCMPHGBCUSID-UHFFFAOYSA-N 2 1 262.397 2.189 20 0 CEADMP Cc1noc(CCC[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)n1 ZINC000903810390 635285061 /nfs/dbraw/zinc/28/50/61/635285061.db2.gz CDTOHMMWWMCTFZ-AWEZNQCLSA-N 2 1 292.427 2.294 20 0 CEADMP CC(C)(C)CNC(=O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903813010 635286225 /nfs/dbraw/zinc/28/62/25/635286225.db2.gz XCOJDKVELVHZIV-AWEZNQCLSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)(C)CNC(=O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903813010 635286230 /nfs/dbraw/zinc/28/62/30/635286230.db2.gz XCOJDKVELVHZIV-AWEZNQCLSA-N 2 1 295.471 2.132 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2cn3cccnc3n2)CCC1 ZINC000903812956 635286255 /nfs/dbraw/zinc/28/62/55/635286255.db2.gz WKVFFOAIHUFGBR-HNNXBMFYSA-N 2 1 299.422 2.213 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2cn3cccnc3n2)CCC1 ZINC000903812956 635286260 /nfs/dbraw/zinc/28/62/60/635286260.db2.gz WKVFFOAIHUFGBR-HNNXBMFYSA-N 2 1 299.422 2.213 20 0 CEADMP c1csc(C[C@@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000903831602 635296698 /nfs/dbraw/zinc/29/66/98/635296698.db2.gz KUXREOIHMMSVHH-AWEZNQCLSA-N 2 1 279.453 2.397 20 0 CEADMP COc1ccc(CC[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903855900 635306230 /nfs/dbraw/zinc/30/62/30/635306230.db2.gz QAIBMQJNWMEKEQ-HOCLYGCPSA-N 2 1 260.381 2.051 20 0 CEADMP COc1ccc(CC[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903855900 635306233 /nfs/dbraw/zinc/30/62/33/635306233.db2.gz QAIBMQJNWMEKEQ-HOCLYGCPSA-N 2 1 260.381 2.051 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCCOc1ccc(F)cc1 ZINC000903856155 635307298 /nfs/dbraw/zinc/30/72/98/635307298.db2.gz QQNQNHHLHLZZEQ-XJKSGUPXSA-N 2 1 278.371 2.408 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCCOc1ccc(F)cc1 ZINC000903856155 635307299 /nfs/dbraw/zinc/30/72/99/635307299.db2.gz QQNQNHHLHLZZEQ-XJKSGUPXSA-N 2 1 278.371 2.408 20 0 CEADMP C([C@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC1 ZINC000903888694 635316872 /nfs/dbraw/zinc/31/68/72/635316872.db2.gz JGLPFJCFERQFDQ-NPYXIHBLSA-N 2 1 277.456 2.077 20 0 CEADMP C([C@H]1CCCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCCC1 ZINC000903888694 635316876 /nfs/dbraw/zinc/31/68/76/635316876.db2.gz JGLPFJCFERQFDQ-NPYXIHBLSA-N 2 1 277.456 2.077 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCCC[C@@H]2C)cnn1C ZINC000903893664 635330258 /nfs/dbraw/zinc/33/02/58/635330258.db2.gz XZJJTGFTGZFWOK-ZFWWWQNUSA-N 2 1 278.444 2.110 20 0 CEADMP CC(C)[C@@H]1CCCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903894825 635330629 /nfs/dbraw/zinc/33/06/29/635330629.db2.gz FJDGWHVACDWNBJ-ZBFHGGJFSA-N 2 1 291.443 2.213 20 0 CEADMP CC[C@@]1(C)CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903894768 635330720 /nfs/dbraw/zinc/33/07/20/635330720.db2.gz DLIKOBYPCKWKQN-HOCLYGCPSA-N 2 1 291.443 2.215 20 0 CEADMP CC[C@H]1CCC[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903894586 635331044 /nfs/dbraw/zinc/33/10/44/635331044.db2.gz AEFMKUGAJXYCQB-HOTGVXAUSA-N 2 1 292.471 2.358 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903896285 635332789 /nfs/dbraw/zinc/33/27/89/635332789.db2.gz AEUXVZJEQHYYBS-MGNMYUMUSA-N 3 1 279.472 2.181 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903896285 635332795 /nfs/dbraw/zinc/33/27/95/635332795.db2.gz AEUXVZJEQHYYBS-MGNMYUMUSA-N 3 1 279.472 2.181 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903896285 635332800 /nfs/dbraw/zinc/33/28/00/635332800.db2.gz AEUXVZJEQHYYBS-MGNMYUMUSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H](C2CC2)O1 ZINC000903910790 635344710 /nfs/dbraw/zinc/34/47/10/635344710.db2.gz QZEJFIONVRHSKY-SCLBCKFNSA-N 2 1 286.419 2.332 20 0 CEADMP Cc1cccc(OC[C@@H](C)[NH2+]C[C@H]([NH3+])CC(F)F)c1 ZINC000903919521 635348830 /nfs/dbraw/zinc/34/88/30/635348830.db2.gz DHHGEQMRSABCFK-VXGBXAGGSA-N 2 1 272.339 2.334 20 0 CEADMP c1cc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000903919970 635349203 /nfs/dbraw/zinc/34/92/03/635349203.db2.gz QNWDKFGAOJDTOI-MRXNPFEDSA-N 2 1 285.435 2.097 20 0 CEADMP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H]1CCC(C)(C)C1 ZINC000903915819 635363782 /nfs/dbraw/zinc/36/37/82/635363782.db2.gz CAVVBXYWXRDSEV-UONOGXRCSA-N 2 1 291.443 2.213 20 0 CEADMP CC(C)([NH3+])CC[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000903938766 635363827 /nfs/dbraw/zinc/36/38/27/635363827.db2.gz JNOGSUONTLDGOL-UHFFFAOYSA-N 2 1 258.369 2.294 20 0 CEADMP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903917257 635364885 /nfs/dbraw/zinc/36/48/85/635364885.db2.gz XQQKWRRWHZZLLX-QPSCCSFWSA-N 2 1 291.443 2.069 20 0 CEADMP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903917256 635365503 /nfs/dbraw/zinc/36/55/03/635365503.db2.gz XQQKWRRWHZZLLX-LXTVHRRPSA-N 2 1 291.443 2.069 20 0 CEADMP CCC1([NH3+])CC[NH+]([C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000903947973 635381038 /nfs/dbraw/zinc/38/10/38/635381038.db2.gz JWROSJMEEQKRCG-SOUVJXGZSA-N 3 1 265.445 2.110 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1cc(N)cc[nH+]1 ZINC000903949757 635382092 /nfs/dbraw/zinc/38/20/92/635382092.db2.gz DPFLIDUDZNMSOV-KDOFPFPSSA-N 2 1 296.418 2.274 20 0 CEADMP C[C@@H]1C[N@@H+](CC2=Cc3ccccc3OC2)C[C@H]1CC[NH3+] ZINC000903978532 635394959 /nfs/dbraw/zinc/39/49/59/635394959.db2.gz PUVHDRZOFYYWDB-CZUORRHYSA-N 2 1 272.392 2.379 20 0 CEADMP c1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cs1 ZINC000903980776 635397221 /nfs/dbraw/zinc/39/72/21/635397221.db2.gz ZPRCULKUTWEHTI-IYBDPMFKSA-N 2 1 291.464 2.149 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000903964255 635398206 /nfs/dbraw/zinc/39/82/06/635398206.db2.gz GNXFUIGWORYTMT-MNOVXSKESA-N 2 1 267.442 2.386 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000903968699 635400495 /nfs/dbraw/zinc/40/04/95/635400495.db2.gz ZKPFCTMEPKFUMV-WBVHZDCISA-N 2 1 287.451 2.096 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968173 635401192 /nfs/dbraw/zinc/40/11/92/635401192.db2.gz RGBNTVYHQDCDDU-CABCVRRESA-N 2 1 284.407 2.126 20 0 CEADMP C[C@]1(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)CCC[NH2+]C1 ZINC000904326499 635572306 /nfs/dbraw/zinc/57/23/06/635572306.db2.gz KUVYVLLLXSFJKQ-STQMWFEESA-N 2 1 294.361 2.011 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904347151 635582653 /nfs/dbraw/zinc/58/26/53/635582653.db2.gz CYABBEFCHHIKPO-IRXDYDNUSA-N 2 1 296.455 2.287 20 0 CEADMP CC(C)(C)CC[C@@H](N)C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000904355610 635587689 /nfs/dbraw/zinc/58/76/89/635587689.db2.gz URPIDWFBRUOMOY-ZIAGYGMSSA-N 2 1 255.450 2.262 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C[C@@H]1C[NH3+] ZINC000904371550 635594051 /nfs/dbraw/zinc/59/40/51/635594051.db2.gz QIFBIWVZJABVNZ-BBRMVZONSA-N 2 1 274.408 2.428 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000904389186 635597684 /nfs/dbraw/zinc/59/76/84/635597684.db2.gz STWYOTQFNDGAJZ-AEJSXWLSSA-N 2 1 266.282 2.090 20 0 CEADMP CC[N@@H+](CCOc1ccccc1OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904379243 635603280 /nfs/dbraw/zinc/60/32/80/635603280.db2.gz RMQMFXJRIPREJZ-OKILXGFUSA-N 2 1 278.396 2.133 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000904405443 635612588 /nfs/dbraw/zinc/61/25/88/635612588.db2.gz IQHNQPUCCRBLHD-SNVBAGLBSA-N 2 1 251.399 2.191 20 0 CEADMP COc1ccsc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904411072 635619237 /nfs/dbraw/zinc/61/92/37/635619237.db2.gz JMRKRHFHRXCJKH-WDEREUQCSA-N 2 1 254.399 2.173 20 0 CEADMP COc1ccsc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904411071 635619400 /nfs/dbraw/zinc/61/94/00/635619400.db2.gz JMRKRHFHRXCJKH-QWRGUYRKSA-N 2 1 254.399 2.173 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)CC[C@@H]1C[NH3+] ZINC000904412142 635619573 /nfs/dbraw/zinc/61/95/73/635619573.db2.gz RATNGFSYUQJNRH-GDBMZVCRSA-N 2 1 288.439 2.099 20 0 CEADMP COC(=O)CCC1([NH2+]C[C@H]([NH3+])CC(F)F)CCCCC1 ZINC000904434331 635628631 /nfs/dbraw/zinc/62/86/31/635628631.db2.gz VPYQJNYLKNRFNI-LLVKDONJSA-N 2 1 292.370 2.215 20 0 CEADMP C[C@]1(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)CC[NH2+]C1 ZINC000904472724 635648254 /nfs/dbraw/zinc/64/82/54/635648254.db2.gz MQXIBTCWEFZUFF-JYJNAYRXSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)CC[NH2+]1 ZINC000904475468 635649282 /nfs/dbraw/zinc/64/92/82/635649282.db2.gz JYGBYLUFGQRTPS-RQJABVFESA-N 2 1 254.443 2.059 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1C[NH3+] ZINC000904634539 635692387 /nfs/dbraw/zinc/69/23/87/635692387.db2.gz RNQLHNYTVCYETJ-CYBMUJFWSA-N 2 1 292.427 2.387 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000905056361 635803075 /nfs/dbraw/zinc/80/30/75/635803075.db2.gz YKCKQWMEJPNBDU-RHSMWYFYSA-N 2 1 287.407 2.459 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc(C)c2)C1 ZINC000905065597 635809601 /nfs/dbraw/zinc/80/96/01/635809601.db2.gz IQQOUBOWYUGEKX-RDJZCZTQSA-N 2 1 276.424 2.350 20 0 CEADMP CC[C@](O)(C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C(F)(F)F ZINC000905073345 635812556 /nfs/dbraw/zinc/81/25/56/635812556.db2.gz WLDJDLQQVKYXII-OLZOCXBDSA-N 2 1 296.377 2.400 20 0 CEADMP Cc1cccc([C@H](O)CN[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000905103656 635816791 /nfs/dbraw/zinc/81/67/91/635816791.db2.gz ZIONXBOKBIRNTH-IAGOWNOFSA-N 2 1 274.408 2.102 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H]1CCOc2ccccc21 ZINC000252823858 636395122 /nfs/dbraw/zinc/39/51/22/636395122.db2.gz COOXRPXUHCXJBN-ZIAGYGMSSA-N 2 1 260.381 2.237 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H]1CCOc2ccccc21 ZINC000252823858 636395126 /nfs/dbraw/zinc/39/51/26/636395126.db2.gz COOXRPXUHCXJBN-ZIAGYGMSSA-N 2 1 260.381 2.237 20 0 CEADMP [NH3+]C1CC[NH+](CCNc2ccc3ccc(F)cc3n2)CC1 ZINC000905705770 636398215 /nfs/dbraw/zinc/39/82/15/636398215.db2.gz OQPACGZCTZJHHG-UHFFFAOYSA-N 2 1 288.370 2.209 20 0 CEADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cn(C3CC3)nn2)CC1 ZINC000906266811 636683346 /nfs/dbraw/zinc/68/33/46/636683346.db2.gz MBLATOMRUCKKCX-UHFFFAOYSA-N 2 1 291.443 2.165 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn(C3CC3)nn2)CC1 ZINC000906266811 636683353 /nfs/dbraw/zinc/68/33/53/636683353.db2.gz MBLATOMRUCKKCX-UHFFFAOYSA-N 2 1 291.443 2.165 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2cnc(-c3cccs3)s2)C1 ZINC000906509554 636760265 /nfs/dbraw/zinc/76/02/65/636760265.db2.gz JAEVPHFMBMLRMG-UHFFFAOYSA-N 2 1 265.407 2.451 20 0 CEADMP CCOc1c(Cl)cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1OC ZINC000906508799 636760748 /nfs/dbraw/zinc/76/07/48/636760748.db2.gz ZYTCLXZSRNXLGL-XYPYZODXSA-N 2 1 284.787 2.327 20 0 CEADMP Cc1nccn1CCC[N@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829366541 636834172 /nfs/dbraw/zinc/83/41/72/636834172.db2.gz OGQOTZONBQNXMU-SFHVURJKSA-N 2 1 299.418 2.347 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829366541 636834176 /nfs/dbraw/zinc/83/41/76/636834176.db2.gz OGQOTZONBQNXMU-SFHVURJKSA-N 2 1 299.418 2.347 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829366541 636834180 /nfs/dbraw/zinc/83/41/80/636834180.db2.gz OGQOTZONBQNXMU-SFHVURJKSA-N 2 1 299.418 2.347 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1NCCCCC[NH+]1CCCCC1 ZINC000925484987 636845148 /nfs/dbraw/zinc/84/51/48/636845148.db2.gz AAVKSPUFKCSYRY-OAHLLOKOSA-N 2 1 267.461 2.373 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+](CC)CC)C2)C1 ZINC000906847566 636867785 /nfs/dbraw/zinc/86/77/85/636867785.db2.gz BCUGIFHWXAIKLK-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCCn1cc(C[NH+]2CCC(C[NH+](CC)CC)CC2)nn1 ZINC000876577209 650341388 /nfs/dbraw/zinc/34/13/88/650341388.db2.gz XWYMAVNVNULAGG-UHFFFAOYSA-N 2 1 293.459 2.242 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000912719378 639001332 /nfs/dbraw/zinc/00/13/32/639001332.db2.gz XPXLVAPLEPTQEG-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000912719378 639001339 /nfs/dbraw/zinc/00/13/39/639001339.db2.gz XPXLVAPLEPTQEG-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000912719378 639001342 /nfs/dbraw/zinc/00/13/42/639001342.db2.gz XPXLVAPLEPTQEG-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924851488 639061124 /nfs/dbraw/zinc/06/11/24/639061124.db2.gz FKBSYCKQRZWHSO-HUUCEWRRSA-N 2 1 297.487 2.390 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000837172268 639094047 /nfs/dbraw/zinc/09/40/47/639094047.db2.gz MJJDQAULJDBKSN-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nc(Cl)cs1 ZINC000876945786 650499478 /nfs/dbraw/zinc/49/94/78/650499478.db2.gz CBGPFCDFMIZSMR-UHFFFAOYSA-N 2 1 270.789 2.481 20 0 CEADMP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166724799 639480165 /nfs/dbraw/zinc/48/01/65/639480165.db2.gz RXBCZKQNMNUMDO-REWJHTLYSA-N 2 1 254.443 2.487 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCc2cccnc21)C[NH+]1CCCC1 ZINC000226820012 639564953 /nfs/dbraw/zinc/56/49/53/639564953.db2.gz OVEZYKBRUHEINJ-UKRRQHHQSA-N 2 1 259.397 2.390 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CCc2cccnc21)C[NH+]1CCCC1 ZINC000226820018 639564981 /nfs/dbraw/zinc/56/49/81/639564981.db2.gz OVEZYKBRUHEINJ-ZFWWWQNUSA-N 2 1 259.397 2.390 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000227823547 639607488 /nfs/dbraw/zinc/60/74/88/639607488.db2.gz DXTBFWADSKWCAY-OUAUKWLOSA-N 2 1 250.308 2.116 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000841029442 639621263 /nfs/dbraw/zinc/62/12/63/639621263.db2.gz ASSCEIGXGAUMDP-OAHLLOKOSA-N 2 1 289.423 2.203 20 0 CEADMP Cc1ccc2c(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)cc(=O)oc2c1 ZINC000228347196 639632145 /nfs/dbraw/zinc/63/21/45/639632145.db2.gz LUECCQCNWKVZJB-OCCSQVGLSA-N 2 1 286.375 2.413 20 0 CEADMP Cc1ccc2c(C[N@@H+]3CC[C@H]([NH3+])C[C@H]3C)cc(=O)oc2c1 ZINC000228347196 639632147 /nfs/dbraw/zinc/63/21/47/639632147.db2.gz LUECCQCNWKVZJB-OCCSQVGLSA-N 2 1 286.375 2.413 20 0 CEADMP CCCCn1nc(C)c(C[NH2+][C@@H](C)CC[NH3+])c1Cl ZINC000841049994 639633692 /nfs/dbraw/zinc/63/36/92/639633692.db2.gz BMHQNOGCOZGEGR-JTQLQIEISA-N 2 1 272.824 2.472 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000232422437 639922126 /nfs/dbraw/zinc/92/21/26/639922126.db2.gz GUFMKTHSYQHCKU-CYBMUJFWSA-N 2 1 266.360 2.351 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000232422437 639922129 /nfs/dbraw/zinc/92/21/29/639922129.db2.gz GUFMKTHSYQHCKU-CYBMUJFWSA-N 2 1 266.360 2.351 20 0 CEADMP C[N@@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)C[C@H]1CCC[NH+](C)C1 ZINC000929703342 640025290 /nfs/dbraw/zinc/02/52/90/640025290.db2.gz SPSWJDRXACKIBN-AVGNSLFASA-N 2 1 294.361 2.370 20 0 CEADMP C[NH+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)C[C@H]1CCC[N@H+](C)C1 ZINC000929703342 640025296 /nfs/dbraw/zinc/02/52/96/640025296.db2.gz SPSWJDRXACKIBN-AVGNSLFASA-N 2 1 294.361 2.370 20 0 CEADMP C[NH+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)C[C@H]1CCC[N@@H+](C)C1 ZINC000929703342 640025298 /nfs/dbraw/zinc/02/52/98/640025298.db2.gz SPSWJDRXACKIBN-AVGNSLFASA-N 2 1 294.361 2.370 20 0 CEADMP [NH3+]CCCCCCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000842471812 640070723 /nfs/dbraw/zinc/07/07/23/640070723.db2.gz BDCDUXFZZLUQDA-MRXNPFEDSA-N 2 1 289.423 2.069 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000842471812 640070728 /nfs/dbraw/zinc/07/07/28/640070728.db2.gz BDCDUXFZZLUQDA-MRXNPFEDSA-N 2 1 289.423 2.069 20 0 CEADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@H](O)c1ccc(C)cc1 ZINC000842472522 640072102 /nfs/dbraw/zinc/07/21/02/640072102.db2.gz CTTVWCHRLXVLIJ-WBVHZDCISA-N 2 1 276.424 2.350 20 0 CEADMP CCOC(=O)[C@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000842476315 640075816 /nfs/dbraw/zinc/07/58/16/640075816.db2.gz LQEVQOKJAVSXOX-CQSZACIVSA-N 2 1 270.417 2.313 20 0 CEADMP Cn1c(Cl)cnc1C[N@H+](C)CCCCCCC[NH3+] ZINC000842476575 640076250 /nfs/dbraw/zinc/07/62/50/640076250.db2.gz RPXAXFTUXQKTOC-UHFFFAOYSA-N 2 1 272.824 2.415 20 0 CEADMP Cn1c(Cl)cnc1C[N@@H+](C)CCCCCCC[NH3+] ZINC000842476575 640076254 /nfs/dbraw/zinc/07/62/54/640076254.db2.gz RPXAXFTUXQKTOC-UHFFFAOYSA-N 2 1 272.824 2.415 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000842686951 640149969 /nfs/dbraw/zinc/14/99/69/640149969.db2.gz MFHPLIDXHZSPNY-CABCVRRESA-N 2 1 299.422 2.230 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC2(Cl)Cl)CC[N@H+]1C ZINC000877070601 650559065 /nfs/dbraw/zinc/55/90/65/650559065.db2.gz QTXSVDNKTRJVOR-BBBLOLIVSA-N 2 1 251.201 2.253 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)[nH]c1C ZINC000877073888 650560161 /nfs/dbraw/zinc/56/01/61/650560161.db2.gz VBNZZBQIWNMKEK-JSGCOSHPSA-N 2 1 293.411 2.072 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CC[C@@H]1[NH3+] ZINC000843051541 640254722 /nfs/dbraw/zinc/25/47/22/640254722.db2.gz FNJKCQDMIAKMTL-BBRMVZONSA-N 2 1 260.381 2.276 20 0 CEADMP Cc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)cnc1Cl ZINC000843056479 640258433 /nfs/dbraw/zinc/25/84/33/640258433.db2.gz MEKABRBKVCEDCR-UHFFFAOYSA-N 2 1 297.830 2.373 20 0 CEADMP Cn1cnc2cc(C[N@@H+](C)C3CCC([NH3+])CC3)ccc21 ZINC000843055633 640259011 /nfs/dbraw/zinc/25/90/11/640259011.db2.gz ISZRQILDZXBJMH-UHFFFAOYSA-N 2 1 272.396 2.275 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)nc1 ZINC000843120168 640289523 /nfs/dbraw/zinc/28/95/23/640289523.db2.gz GTZBSZFDNDTNMI-UHFFFAOYSA-N 2 1 275.396 2.056 20 0 CEADMP CC[NH+](CC)[C@@H](c1nc(CC[NH3+])no1)c1ccccc1 ZINC000843132305 640298198 /nfs/dbraw/zinc/29/81/98/640298198.db2.gz RUNSWXWRYAHEKN-CQSZACIVSA-N 2 1 274.368 2.002 20 0 CEADMP C[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000843172682 640323983 /nfs/dbraw/zinc/32/39/83/640323983.db2.gz HICUOOIUOXUOFG-LLVKDONJSA-N 2 1 272.352 2.352 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOCC(F)(F)C(F)F ZINC000843360192 640403548 /nfs/dbraw/zinc/40/35/48/640403548.db2.gz FRMANZAERVDNJZ-FGWVZKOKSA-N 2 1 298.324 2.248 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOCC(F)(F)C(F)F ZINC000843360192 640403553 /nfs/dbraw/zinc/40/35/53/640403553.db2.gz FRMANZAERVDNJZ-FGWVZKOKSA-N 2 1 298.324 2.248 20 0 CEADMP CC[C@H]1C[N@@H+](CCOc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000843377474 640410249 /nfs/dbraw/zinc/41/02/49/640410249.db2.gz RHSFKSXVZTXBPP-SWLSCSKDSA-N 2 1 266.360 2.264 20 0 CEADMP C[C@H](C[C@H]1CCOC1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834908021 640439282 /nfs/dbraw/zinc/43/92/82/640439282.db2.gz ACHWALSHGRPMDU-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000844203019 640630918 /nfs/dbraw/zinc/63/09/18/640630918.db2.gz YRDYKMBTCUNANF-OAGGEKHMSA-N 2 1 297.487 2.330 20 0 CEADMP Cn1nccc1[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000844221576 640635573 /nfs/dbraw/zinc/63/55/73/640635573.db2.gz GRENUWFUIHPFPI-INIZCTEOSA-N 2 1 290.455 2.379 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCCCC[NH3+])CCN1C ZINC000844221871 640636052 /nfs/dbraw/zinc/63/60/52/640636052.db2.gz WZMNNHCDJSCLAN-GJZGRUSLSA-N 2 1 255.450 2.310 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCCCCCC[NH3+])CC[N@@H+]1C ZINC000844221871 640636055 /nfs/dbraw/zinc/63/60/55/640636055.db2.gz WZMNNHCDJSCLAN-GJZGRUSLSA-N 3 1 255.450 2.310 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCCCCCC[NH3+])CC[N@H+]1C ZINC000844221871 640636058 /nfs/dbraw/zinc/63/60/58/640636058.db2.gz WZMNNHCDJSCLAN-GJZGRUSLSA-N 3 1 255.450 2.310 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCCCCCC[NH3+])CC[NH+]1C ZINC000844221871 640636062 /nfs/dbraw/zinc/63/60/62/640636062.db2.gz WZMNNHCDJSCLAN-GJZGRUSLSA-N 3 1 255.450 2.310 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCCCCCC[NH3+])CC[NH+]1C ZINC000844221871 640636064 /nfs/dbraw/zinc/63/60/64/640636064.db2.gz WZMNNHCDJSCLAN-GJZGRUSLSA-N 3 1 255.450 2.310 20 0 CEADMP CC[C@@](O)(C[N@H+](C)CCCn1cc[nH+]c1C)C(F)(F)F ZINC000930059229 641014468 /nfs/dbraw/zinc/01/44/68/641014468.db2.gz AYKSOEWDALKZAN-GFCCVEGCSA-N 2 1 293.333 2.217 20 0 CEADMP CC[C@@](O)(C[N@@H+](C)CCCn1cc[nH+]c1C)C(F)(F)F ZINC000930059229 641014472 /nfs/dbraw/zinc/01/44/72/641014472.db2.gz AYKSOEWDALKZAN-GFCCVEGCSA-N 2 1 293.333 2.217 20 0 CEADMP CC(C)[C@@H](C(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+]1CCCCC1 ZINC000845818833 641103186 /nfs/dbraw/zinc/10/31/86/641103186.db2.gz IVAOGTOMWVDVEG-PMPSAXMXSA-N 2 1 296.455 2.380 20 0 CEADMP CC(C)C[N@H+](C)CCCNCc1ncc(C[NH+](C)C)s1 ZINC000845995275 641147343 /nfs/dbraw/zinc/14/73/43/641147343.db2.gz BGOHDQYJWQYCGD-UHFFFAOYSA-N 2 1 298.500 2.272 20 0 CEADMP CC(C)C[N@@H+](C)CCCNCc1ncc(C[NH+](C)C)s1 ZINC000845995275 641147347 /nfs/dbraw/zinc/14/73/47/641147347.db2.gz BGOHDQYJWQYCGD-UHFFFAOYSA-N 2 1 298.500 2.272 20 0 CEADMP C[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C[NH+]1CCCC1 ZINC000925481444 641179354 /nfs/dbraw/zinc/17/93/54/641179354.db2.gz PUZACUXEYRJAJE-WCVJEAGWSA-N 3 1 279.472 2.085 20 0 CEADMP CC[N@@H+](CCC[NH2+][C@@H](C)CCO)C1CCCCC1 ZINC000846181605 641215211 /nfs/dbraw/zinc/21/52/11/641215211.db2.gz GJSHSFFOMJGMAO-AWEZNQCLSA-N 2 1 256.434 2.392 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCC[NH3+])C[C@@H]1C ZINC000846220884 641229055 /nfs/dbraw/zinc/22/90/55/641229055.db2.gz XCBKUNIYHZWLBI-GJZGRUSLSA-N 3 1 255.450 2.310 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCC[NH3+])C[C@@H]1C ZINC000846220884 641229061 /nfs/dbraw/zinc/22/90/61/641229061.db2.gz XCBKUNIYHZWLBI-GJZGRUSLSA-N 2 1 255.450 2.310 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCC[NH3+])C[C@@H]1C ZINC000846220884 641229068 /nfs/dbraw/zinc/22/90/68/641229068.db2.gz XCBKUNIYHZWLBI-GJZGRUSLSA-N 2 1 255.450 2.310 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CCCCCC[NH3+])C[C@@H]1C ZINC000846220884 641229073 /nfs/dbraw/zinc/22/90/73/641229073.db2.gz XCBKUNIYHZWLBI-GJZGRUSLSA-N 2 1 255.450 2.310 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CCCCCC[NH3+])C[C@@H]1C ZINC000846220884 641229078 /nfs/dbraw/zinc/22/90/78/641229078.db2.gz XCBKUNIYHZWLBI-GJZGRUSLSA-N 2 1 255.450 2.310 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846225002 641233665 /nfs/dbraw/zinc/23/36/65/641233665.db2.gz IBVFTLNLKRVSST-YESZJQIVSA-N 3 1 297.487 2.114 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@@H](C)[NH2+]C1CC1)C1CCCCC1 ZINC000846689834 641394763 /nfs/dbraw/zinc/39/47/63/641394763.db2.gz WISBFXDHXUIKMS-CQSZACIVSA-N 2 1 295.471 2.288 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C[NH+]1CCCCC1 ZINC000925486038 641759611 /nfs/dbraw/zinc/75/96/11/641759611.db2.gz PZAFQGLVVOCYNW-VVLHAWIVSA-N 3 1 293.499 2.475 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@@H+]2CCc1cccs1 ZINC000848600345 642073514 /nfs/dbraw/zinc/07/35/14/642073514.db2.gz CBQYIHVHQFWLCE-UHFFFAOYSA-N 2 1 250.411 2.494 20 0 CEADMP Cc1noc([C@H](C)[N@H+](C)CCCCCCC[NH3+])n1 ZINC000848600406 642073572 /nfs/dbraw/zinc/07/35/72/642073572.db2.gz OBLXOLYFBZHGKP-NSHDSACASA-N 2 1 254.378 2.280 20 0 CEADMP Cc1noc([C@H](C)[N@@H+](C)CCCCCCC[NH3+])n1 ZINC000848600406 642073574 /nfs/dbraw/zinc/07/35/74/642073574.db2.gz OBLXOLYFBZHGKP-NSHDSACASA-N 2 1 254.378 2.280 20 0 CEADMP CCC[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995914787 642082426 /nfs/dbraw/zinc/08/24/26/642082426.db2.gz LADDYFGCJMJXCD-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@@H+](C)CCCNCc1cccc(C(=O)N(C)C)c1 ZINC000921523887 642191042 /nfs/dbraw/zinc/19/10/42/642191042.db2.gz ZOEFRXXIFIVIRN-UHFFFAOYSA-N 2 1 291.439 2.208 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000921523887 642191045 /nfs/dbraw/zinc/19/10/45/642191045.db2.gz ZOEFRXXIFIVIRN-UHFFFAOYSA-N 2 1 291.439 2.208 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000921523887 642191047 /nfs/dbraw/zinc/19/10/47/642191047.db2.gz ZOEFRXXIFIVIRN-UHFFFAOYSA-N 2 1 291.439 2.208 20 0 CEADMP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[NH+](C)C ZINC000848996677 642216536 /nfs/dbraw/zinc/21/65/36/642216536.db2.gz PKNQYYYKZZMCAS-CHWSQXEVSA-N 2 1 256.438 2.265 20 0 CEADMP Cc1ccc([C@@H](CNC(=[NH2+])NC2CCC2)[NH+]2CCCC2)o1 ZINC000849000973 642219386 /nfs/dbraw/zinc/21/93/86/642219386.db2.gz JIKMRJDHCUDZBQ-CQSZACIVSA-N 2 1 290.411 2.391 20 0 CEADMP c1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)n(C2CCC2)n1 ZINC000921545831 642220226 /nfs/dbraw/zinc/22/02/26/642220226.db2.gz ATZHGZHFRMKDFM-DZGCQCFKSA-N 2 1 274.412 2.325 20 0 CEADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000849004648 642221968 /nfs/dbraw/zinc/22/19/68/642221968.db2.gz SRYWVJBCUAJHQD-JTQLQIEISA-N 2 1 282.338 2.243 20 0 CEADMP O=c1[nH]c2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2o1 ZINC000921550848 642230855 /nfs/dbraw/zinc/23/08/55/642230855.db2.gz VGXXBJBBQXDQNA-CHWSQXEVSA-N 2 1 287.363 2.250 20 0 CEADMP O=c1[nH]c2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2o1 ZINC000921550848 642230857 /nfs/dbraw/zinc/23/08/57/642230857.db2.gz VGXXBJBBQXDQNA-CHWSQXEVSA-N 2 1 287.363 2.250 20 0 CEADMP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000849024084 642237285 /nfs/dbraw/zinc/23/72/85/642237285.db2.gz QCAXCTJRNSANLF-NEPJUHHUSA-N 2 1 254.422 2.019 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC(C)C)CC1 ZINC000997366838 642243223 /nfs/dbraw/zinc/24/32/23/642243223.db2.gz NLSXAWXKCQKDJL-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1CC(C)(C)C ZINC000849046486 642255502 /nfs/dbraw/zinc/25/55/02/642255502.db2.gz HGMJNTFNBHMAGX-MELADBBJSA-N 2 1 280.460 2.409 20 0 CEADMP C[C@H]1CCCN(C(=[NH2+])NCC[N@H+]2CCCC(C)(C)C2)C1 ZINC000849105736 642262429 /nfs/dbraw/zinc/26/24/29/642262429.db2.gz WUNZJZFIYIDSCX-AWEZNQCLSA-N 2 1 280.460 2.365 20 0 CEADMP CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000997873925 642328275 /nfs/dbraw/zinc/32/82/75/642328275.db2.gz HHRIMOFJPJOYNS-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]C(C)C)C2)C1 ZINC000999292224 642477248 /nfs/dbraw/zinc/47/72/48/642477248.db2.gz ZDEZIIMQDLBVAW-FHERZECASA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnn3c2CCC3)CC1 ZINC000850036278 642548709 /nfs/dbraw/zinc/54/87/09/642548709.db2.gz PBBXDNKJQJHDHZ-UHFFFAOYSA-N 2 1 276.428 2.182 20 0 CEADMP CCCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001000849386 642659825 /nfs/dbraw/zinc/65/98/25/642659825.db2.gz HGGVHURHCAFAMS-INIZCTEOSA-N 2 1 293.455 2.019 20 0 CEADMP CCCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001000849386 642659828 /nfs/dbraw/zinc/65/98/28/642659828.db2.gz HGGVHURHCAFAMS-INIZCTEOSA-N 2 1 293.455 2.019 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CCCOC(C)(C)C)s1 ZINC000850368861 642684443 /nfs/dbraw/zinc/68/44/43/642684443.db2.gz FTWLJVIMMCGLRE-UHFFFAOYSA-N 2 1 285.457 2.500 20 0 CEADMP CCOC(=O)NC1CCC([NH2+][C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000850471614 642723054 /nfs/dbraw/zinc/72/30/54/642723054.db2.gz RNWINEMJFOSALX-WLYUNCDWSA-N 2 1 299.459 2.362 20 0 CEADMP CCOC(=O)NC1CCC([NH2+][C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000850471614 642723058 /nfs/dbraw/zinc/72/30/58/642723058.db2.gz RNWINEMJFOSALX-WLYUNCDWSA-N 2 1 299.459 2.362 20 0 CEADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CC[C@H]3COCC[C@H]3C1)C2 ZINC000922025825 642847191 /nfs/dbraw/zinc/84/71/91/642847191.db2.gz ORPGIOUSVKWXRV-FXUDXRNXSA-N 2 1 289.423 2.240 20 0 CEADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000922063172 642861509 /nfs/dbraw/zinc/86/15/09/642861509.db2.gz FLERROCZSPFOKT-RRFJBIMHSA-N 2 1 277.412 2.383 20 0 CEADMP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003230696 642920649 /nfs/dbraw/zinc/92/06/49/642920649.db2.gz QLCWPYNTOCGADE-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[C@H](C)C[NH2+][C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922385748 643057448 /nfs/dbraw/zinc/05/74/48/643057448.db2.gz AJIXCRJKCZNHPZ-JZAWBGDQSA-N 2 1 282.472 2.492 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@@H]1CC=CCC1)C2 ZINC000922385356 643057546 /nfs/dbraw/zinc/05/75/46/643057546.db2.gz AOSZYQIQNXDDOD-DZVNLGKHSA-N 2 1 292.467 2.412 20 0 CEADMP Cc1coc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000922390470 643058735 /nfs/dbraw/zinc/05/87/35/643058735.db2.gz NBLSOJZUHXONDK-WCXIOVBPSA-N 2 1 292.423 2.157 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851791132 643162892 /nfs/dbraw/zinc/16/28/92/643162892.db2.gz UHEDLHBVDZWJCH-GJZGRUSLSA-N 2 1 284.444 2.192 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000922694569 643213222 /nfs/dbraw/zinc/21/32/22/643213222.db2.gz KYFQTWTUWGDHRZ-NEPJUHHUSA-N 2 1 280.334 2.170 20 0 CEADMP C(Cc1nc2c(s1)CCC2)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922715931 643221193 /nfs/dbraw/zinc/22/11/93/643221193.db2.gz PGDLLIWBMYKCLM-QWHCGFSZSA-N 2 1 291.464 2.391 20 0 CEADMP CCO[C@@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C[NH+](C)C ZINC000922756185 643246973 /nfs/dbraw/zinc/24/69/73/643246973.db2.gz MIBKAOJFCSDTRL-YJNKXOJESA-N 2 1 254.418 2.121 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CC[C@@H]3COC(C)(C)O3)C2)CC1 ZINC000852007586 643263834 /nfs/dbraw/zinc/26/38/34/643263834.db2.gz OTCJDGAHPPJQJT-OAHLLOKOSA-N 2 1 296.455 2.336 20 0 CEADMP CO[C@H]1CC[C@@H]([N@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000852009133 643264950 /nfs/dbraw/zinc/26/49/50/643264950.db2.gz ZPUJZHITEKQNER-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)c1ccc(F)cc1)C2 ZINC000852109184 643311922 /nfs/dbraw/zinc/31/19/22/643311922.db2.gz XMUMNFINWRFTOE-IAGOWNOFSA-N 2 1 292.398 2.277 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)c1ccc(F)cc1)C2 ZINC000852109184 643311925 /nfs/dbraw/zinc/31/19/25/643311925.db2.gz XMUMNFINWRFTOE-IAGOWNOFSA-N 2 1 292.398 2.277 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)c1ccc(F)cc1)C2 ZINC000852109184 643311928 /nfs/dbraw/zinc/31/19/28/643311928.db2.gz XMUMNFINWRFTOE-IAGOWNOFSA-N 2 1 292.398 2.277 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)c1ccc(F)cc1)C2 ZINC000852109184 643311933 /nfs/dbraw/zinc/31/19/33/643311933.db2.gz XMUMNFINWRFTOE-IAGOWNOFSA-N 2 1 292.398 2.277 20 0 CEADMP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005642082 643427848 /nfs/dbraw/zinc/42/78/48/643427848.db2.gz GUJSXSCMLVNWLK-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000852563827 643473938 /nfs/dbraw/zinc/47/39/38/643473938.db2.gz CJTAZWOBIKSSIY-YOEHRIQHSA-N 2 1 284.407 2.359 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000923294461 643645957 /nfs/dbraw/zinc/64/59/57/643645957.db2.gz LXZPQTRFFFLTOB-GJZGRUSLSA-N 2 1 268.376 2.164 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000923294459 643646011 /nfs/dbraw/zinc/64/60/11/643646011.db2.gz LXZPQTRFFFLTOB-CABCVRRESA-N 2 1 268.376 2.164 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)C1CCC([NH3+])CC1 ZINC000923294923 643646279 /nfs/dbraw/zinc/64/62/79/643646279.db2.gz QLFJHJPQQQRZHT-QOZQQMKHSA-N 2 1 284.350 2.200 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000923296573 643647152 /nfs/dbraw/zinc/64/71/52/643647152.db2.gz ICQNBPPLPCLZDA-CVEARBPZSA-N 2 1 264.413 2.334 20 0 CEADMP C[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923297181 643648283 /nfs/dbraw/zinc/64/82/83/643648283.db2.gz GPEUALHISIINCP-XDTLVQLUSA-N 2 1 289.206 2.276 20 0 CEADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923297181 643648285 /nfs/dbraw/zinc/64/82/85/643648285.db2.gz GPEUALHISIINCP-XDTLVQLUSA-N 2 1 289.206 2.276 20 0 CEADMP C(C[N@@H+](C[C@H]1CCOC1)C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923304295 643651388 /nfs/dbraw/zinc/65/13/88/643651388.db2.gz QPWPUGKGXCUEOC-VIYLOZMYSA-N 2 1 278.440 2.408 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316256 643654367 /nfs/dbraw/zinc/65/43/67/643654367.db2.gz GBNBDOBCZDIUOE-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@@H]1c1ccccc1 ZINC000923314440 643654488 /nfs/dbraw/zinc/65/44/88/643654488.db2.gz HNIQWIZKFHKKPW-QSGXVVIFSA-N 2 1 288.435 2.353 20 0 CEADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316302 643655207 /nfs/dbraw/zinc/65/52/07/643655207.db2.gz GYLOGWQGDFPBEG-OIISXLGYSA-N 2 1 286.419 2.243 20 0 CEADMP C(C[N@H+]1CCC[C@H]2COCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923318886 643657415 /nfs/dbraw/zinc/65/74/15/643657415.db2.gz PWHNIIUOJGJVPM-QPBSCJPLSA-N 2 1 278.440 2.408 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923328352 643660300 /nfs/dbraw/zinc/66/03/00/643660300.db2.gz ZCZCXMCSXRLCCS-OAHLLOKOSA-N 3 1 288.439 2.266 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329500 643660858 /nfs/dbraw/zinc/66/08/58/643660858.db2.gz UXYIZTLGYBEANO-GPQQEZGISA-N 3 1 291.483 2.371 20 0 CEADMP CC[N@@H+](C[C@H](O)c1ccc(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000923334327 643666979 /nfs/dbraw/zinc/66/69/79/643666979.db2.gz CBVNDNTZENIGRK-BBRMVZONSA-N 2 1 298.377 2.462 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923363148 643684419 /nfs/dbraw/zinc/68/44/19/643684419.db2.gz VMHGSPNEEGAZST-PMPSAXMXSA-N 2 1 268.445 2.105 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923362936 643684454 /nfs/dbraw/zinc/68/44/54/643684454.db2.gz QXBAFHKCVPOCGN-KBPBESRZSA-N 2 1 277.412 2.367 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)CCCO1 ZINC000923379823 643687659 /nfs/dbraw/zinc/68/76/59/643687659.db2.gz SUKCTNFBRMLWCV-AWEZNQCLSA-N 2 1 252.402 2.006 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923384851 643689752 /nfs/dbraw/zinc/68/97/52/643689752.db2.gz OMDIODXAPHIOIP-RRFJBIMHSA-N 2 1 266.429 2.266 20 0 CEADMP CCc1onc(C)c1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923414710 643701933 /nfs/dbraw/zinc/70/19/33/643701933.db2.gz NVZIPHNXYJFALU-TZMCWYRMSA-N 2 1 263.385 2.119 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923414710 643701936 /nfs/dbraw/zinc/70/19/36/643701936.db2.gz NVZIPHNXYJFALU-TZMCWYRMSA-N 2 1 263.385 2.119 20 0 CEADMP C[C@@H]1CC[C@H](CN)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000923424118 643703880 /nfs/dbraw/zinc/70/38/80/643703880.db2.gz OCRCQSHQQPKAQJ-FAHTYWLASA-N 2 1 279.472 2.355 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])N(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000923424118 643703883 /nfs/dbraw/zinc/70/38/83/643703883.db2.gz OCRCQSHQQPKAQJ-FAHTYWLASA-N 2 1 279.472 2.355 20 0 CEADMP O[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000923426819 643705967 /nfs/dbraw/zinc/70/59/67/643705967.db2.gz GWNUCGFHIRUJTN-SJORKVTESA-N 2 1 288.435 2.244 20 0 CEADMP CO[C@@H](C)c1nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cs1 ZINC000923482939 643731993 /nfs/dbraw/zinc/73/19/93/643731993.db2.gz JMFMWPRWLNALTK-QWRGUYRKSA-N 2 1 269.414 2.021 20 0 CEADMP CO[C@@H](C)c1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)cs1 ZINC000923482939 643731994 /nfs/dbraw/zinc/73/19/94/643731994.db2.gz JMFMWPRWLNALTK-QWRGUYRKSA-N 2 1 269.414 2.021 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000923484827 643732653 /nfs/dbraw/zinc/73/26/53/643732653.db2.gz ODOSNNVFGORBBR-SNVBAGLBSA-N 2 1 273.302 2.271 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(C)s1 ZINC000923496302 643733723 /nfs/dbraw/zinc/73/37/23/643733723.db2.gz HHICJJFEZYFAHI-CMPLNLGQSA-N 2 1 296.436 2.260 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)s1 ZINC000923496510 643733810 /nfs/dbraw/zinc/73/38/10/643733810.db2.gz AHIFNRHBDKAHRH-CABZTGNLSA-N 2 1 253.415 2.177 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923495483 643733847 /nfs/dbraw/zinc/73/38/47/643733847.db2.gz WFZZVJOKAJHBLF-BBRMVZONSA-N 2 1 262.397 2.250 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cncc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923495174 643734468 /nfs/dbraw/zinc/73/44/68/643734468.db2.gz UTGUUWJAVXEJFZ-ZYHUDNBSSA-N 2 1 298.228 2.261 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cncc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923495174 643734470 /nfs/dbraw/zinc/73/44/70/643734470.db2.gz UTGUUWJAVXEJFZ-ZYHUDNBSSA-N 2 1 298.228 2.261 20 0 CEADMP C[C@H]1C[N@@H+](CCC2SCCS2)CC[C@@H]1C[NH3+] ZINC000923488431 643735286 /nfs/dbraw/zinc/73/52/86/643735286.db2.gz FSWSGEXGLVBEKK-WDEREUQCSA-N 2 1 260.472 2.099 20 0 CEADMP C[C@H]1C[N@@H+](CCc2cccc(F)c2)CC[C@H]1C[NH3+] ZINC000923492355 643736528 /nfs/dbraw/zinc/73/65/28/643736528.db2.gz NNZKWKKJGHEKAS-JSGCOSHPSA-N 2 1 250.361 2.285 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)CC[C@H]1C[NH3+] ZINC000923493687 643737139 /nfs/dbraw/zinc/73/71/39/643737139.db2.gz TUTGCPTXEXFJGA-RDBSUJKOSA-N 2 1 254.418 2.251 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498560 643741172 /nfs/dbraw/zinc/74/11/72/643741172.db2.gz OXXPBCYDQMCLJG-ZIAGYGMSSA-N 2 1 270.417 2.027 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923504704 643743110 /nfs/dbraw/zinc/74/31/10/643743110.db2.gz TZJBMJULKVBHAR-CAOSSQGBSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@H]1C[N@@H+](CCOc2ccccc2F)CC[C@@H]1C[NH3+] ZINC000923503498 643746213 /nfs/dbraw/zinc/74/62/13/643746213.db2.gz JJTGCHNHTJXWSH-QWHCGFSZSA-N 2 1 266.360 2.121 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C[C@H]1C[NH3+] ZINC000923515229 643747455 /nfs/dbraw/zinc/74/74/55/643747455.db2.gz NNIYIOHNHBLWIJ-MWQQHZPXSA-N 2 1 274.408 2.433 20 0 CEADMP FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc1 ZINC000923518159 643748328 /nfs/dbraw/zinc/74/83/28/643748328.db2.gz ANESINBLNHDYBU-WDEREUQCSA-N 2 1 285.313 2.142 20 0 CEADMP FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc1 ZINC000923518159 643748330 /nfs/dbraw/zinc/74/83/30/643748330.db2.gz ANESINBLNHDYBU-WDEREUQCSA-N 2 1 285.313 2.142 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)C1CCC1 ZINC000923532801 643753907 /nfs/dbraw/zinc/75/39/07/643753907.db2.gz HFPBOCAHDQAFAN-CABCVRRESA-N 2 1 252.402 2.020 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)C1CCC1 ZINC000923532801 643753917 /nfs/dbraw/zinc/75/39/17/643753917.db2.gz HFPBOCAHDQAFAN-CABCVRRESA-N 2 1 252.402 2.020 20 0 CEADMP Cc1csc(C[C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000923552086 643759323 /nfs/dbraw/zinc/75/93/23/643759323.db2.gz SVASZPCJKWAUIP-KBPBESRZSA-N 2 1 279.453 2.316 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877738156 650879894 /nfs/dbraw/zinc/87/98/94/650879894.db2.gz AFPGCIUVGVFMEC-RRFJBIMHSA-N 2 1 254.418 2.074 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877738156 650879897 /nfs/dbraw/zinc/87/98/97/650879897.db2.gz AFPGCIUVGVFMEC-RRFJBIMHSA-N 2 1 254.418 2.074 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877738156 650879899 /nfs/dbraw/zinc/87/98/99/650879899.db2.gz AFPGCIUVGVFMEC-RRFJBIMHSA-N 2 1 254.418 2.074 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000838860378 644052620 /nfs/dbraw/zinc/05/26/20/644052620.db2.gz VPFNSNGKICILIY-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000838860378 644052622 /nfs/dbraw/zinc/05/26/22/644052622.db2.gz VPFNSNGKICILIY-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000838860378 644052636 /nfs/dbraw/zinc/05/26/36/644052636.db2.gz VPFNSNGKICILIY-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP Cc1ccc(CCC[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cn1 ZINC000877743809 650891069 /nfs/dbraw/zinc/89/10/69/650891069.db2.gz YLMFIHLSPYZRDU-IAGOWNOFSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cn1 ZINC000877743809 650891073 /nfs/dbraw/zinc/89/10/73/650891073.db2.gz YLMFIHLSPYZRDU-IAGOWNOFSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cn1 ZINC000877743809 650891075 /nfs/dbraw/zinc/89/10/75/650891075.db2.gz YLMFIHLSPYZRDU-IAGOWNOFSA-N 2 1 273.424 2.349 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1COC2(CCCCC2)O1 ZINC000838985031 644110382 /nfs/dbraw/zinc/11/03/82/644110382.db2.gz BJDVAEMYVAQYFU-MRXNPFEDSA-N 2 1 294.439 2.279 20 0 CEADMP C[C@@H](Cc1cccc(F)c1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000839195374 644189146 /nfs/dbraw/zinc/18/91/46/644189146.db2.gz HZEPJXKQJLKDAN-WMLDXEAASA-N 2 1 294.414 2.145 20 0 CEADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000839195374 644189152 /nfs/dbraw/zinc/18/91/52/644189152.db2.gz HZEPJXKQJLKDAN-WMLDXEAASA-N 2 1 294.414 2.145 20 0 CEADMP CC(C)C[N@H+](Cc1cncnc1)CC1CC[NH+](C)CC1 ZINC000877767363 650903174 /nfs/dbraw/zinc/90/31/74/650903174.db2.gz GEVIQPGECJKOSA-UHFFFAOYSA-N 2 1 276.428 2.276 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000806140648 644429038 /nfs/dbraw/zinc/42/90/38/644429038.db2.gz ZGULISZHICGCMH-YESZJQIVSA-N 2 1 278.440 2.408 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)NCC(C)C)CC1 ZINC000754978746 644456485 /nfs/dbraw/zinc/45/64/85/644456485.db2.gz GTDRZLUJGYPFQE-UHFFFAOYSA-N 2 1 297.487 2.203 20 0 CEADMP COCC(C)(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000755193846 644485713 /nfs/dbraw/zinc/48/57/13/644485713.db2.gz HBYMMNCFZHDSMW-UHFFFAOYSA-N 2 1 288.395 2.338 20 0 CEADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC)C2)ccn1 ZINC000856592543 644696007 /nfs/dbraw/zinc/69/60/07/644696007.db2.gz VHHJRYTYSGDORY-OAHLLOKOSA-N 2 1 263.385 2.006 20 0 CEADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC)C2)ccn1 ZINC000856592543 644696010 /nfs/dbraw/zinc/69/60/10/644696010.db2.gz VHHJRYTYSGDORY-OAHLLOKOSA-N 2 1 263.385 2.006 20 0 CEADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC)C2)ccn1 ZINC000856592543 644696015 /nfs/dbraw/zinc/69/60/15/644696015.db2.gz VHHJRYTYSGDORY-OAHLLOKOSA-N 2 1 263.385 2.006 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(C)nc1Cl ZINC000856769515 644715808 /nfs/dbraw/zinc/71/58/08/644715808.db2.gz QEKHCDIJVFBBTJ-JTQLQIEISA-N 2 1 281.791 2.004 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857252942 644871125 /nfs/dbraw/zinc/87/11/25/644871125.db2.gz GBYJSOZZOKUTCT-BBBLOLIVSA-N 2 1 251.201 2.158 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2F)CC1(C)C ZINC000858105532 645062364 /nfs/dbraw/zinc/06/23/64/645062364.db2.gz PWFXWSBYXGFUGC-SWLSCSKDSA-N 2 1 280.387 2.322 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2F)CC1(C)C ZINC000858105532 645062371 /nfs/dbraw/zinc/06/23/71/645062371.db2.gz PWFXWSBYXGFUGC-SWLSCSKDSA-N 2 1 280.387 2.322 20 0 CEADMP C[NH+](C)Cc1cnc(CNC[C@@H]2CCCC[N@H+](C)C2)s1 ZINC000858246195 645097820 /nfs/dbraw/zinc/09/78/20/645097820.db2.gz XIGVSOWVZLEQRE-ZDUSSCGKSA-N 2 1 296.484 2.026 20 0 CEADMP C[NH+](C)Cc1cnc(CNC[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000858246195 645097823 /nfs/dbraw/zinc/09/78/23/645097823.db2.gz XIGVSOWVZLEQRE-ZDUSSCGKSA-N 2 1 296.484 2.026 20 0 CEADMP C([C@H]1CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1)[NH+]1CCCC1 ZINC000878126296 651007874 /nfs/dbraw/zinc/00/78/74/651007874.db2.gz WRMPTVTVEATNAN-HZPDHXFCSA-N 2 1 278.440 2.363 20 0 CEADMP C[C@H]1OCC[C@H]1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000878550052 651127642 /nfs/dbraw/zinc/12/76/42/651127642.db2.gz UOTJVBNHOAOZDM-CABCVRRESA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCOC(F)(F)F)CC[N@@H+]1C ZINC000878163797 651019606 /nfs/dbraw/zinc/01/96/06/651019606.db2.gz WRRCCZLUMIOOSH-GHMZBOCLSA-N 2 1 268.323 2.327 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCOC(F)(F)F)CC[N@H+]1C ZINC000878163797 651019610 /nfs/dbraw/zinc/01/96/10/651019610.db2.gz WRRCCZLUMIOOSH-GHMZBOCLSA-N 2 1 268.323 2.327 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCCOC(F)(F)F)CC[NH+]1C ZINC000878163797 651019613 /nfs/dbraw/zinc/01/96/13/651019613.db2.gz WRRCCZLUMIOOSH-GHMZBOCLSA-N 2 1 268.323 2.327 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCCOC(F)(F)F)CC[NH+]1C ZINC000878163797 651019616 /nfs/dbraw/zinc/01/96/16/651019616.db2.gz WRRCCZLUMIOOSH-GHMZBOCLSA-N 2 1 268.323 2.327 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000878164784 651020943 /nfs/dbraw/zinc/02/09/43/651020943.db2.gz NCUYWQQNHAIBHC-HNNXBMFYSA-N 2 1 266.429 2.362 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000878164784 651020946 /nfs/dbraw/zinc/02/09/46/651020946.db2.gz NCUYWQQNHAIBHC-HNNXBMFYSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC[N@H+]1C ZINC000765262512 645749860 /nfs/dbraw/zinc/74/98/60/645749860.db2.gz XDNFRHQXOFRULT-DFBGVHRSSA-N 2 1 282.815 2.446 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC000878287413 651054365 /nfs/dbraw/zinc/05/43/65/651054365.db2.gz BFGCDXUFQMCEHL-HNNXBMFYSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC000878287413 651054367 /nfs/dbraw/zinc/05/43/67/651054367.db2.gz BFGCDXUFQMCEHL-HNNXBMFYSA-N 2 1 277.412 2.473 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1(C)CC1 ZINC000765975822 645829727 /nfs/dbraw/zinc/82/97/27/645829727.db2.gz LDDBNZRPCCTMRO-HIFRSBDPSA-N 2 1 266.429 2.408 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)C2CC2)C1 ZINC000767412276 645987984 /nfs/dbraw/zinc/98/79/84/645987984.db2.gz SQAFHELZZNMOOB-ZDUSSCGKSA-N 2 1 252.402 2.019 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)C2CC2)C1 ZINC000767412276 645987986 /nfs/dbraw/zinc/98/79/86/645987986.db2.gz SQAFHELZZNMOOB-ZDUSSCGKSA-N 2 1 252.402 2.019 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000767451165 645993229 /nfs/dbraw/zinc/99/32/29/645993229.db2.gz WYJYZWCUAMPMEA-INIZCTEOSA-N 2 1 291.370 2.386 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000767451165 645993234 /nfs/dbraw/zinc/99/32/34/645993234.db2.gz WYJYZWCUAMPMEA-INIZCTEOSA-N 2 1 291.370 2.386 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2nc3c(s2)CCC3)[C@H](C)C1 ZINC000771844127 646558606 /nfs/dbraw/zinc/55/86/06/646558606.db2.gz WEEFTBHNOIXYTL-NEPJUHHUSA-N 2 1 279.453 2.452 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000773013319 646696449 /nfs/dbraw/zinc/69/64/49/646696449.db2.gz YFVLNQWMIOEGBK-ZTFGCOKTSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000773013319 646696451 /nfs/dbraw/zinc/69/64/51/646696451.db2.gz YFVLNQWMIOEGBK-ZTFGCOKTSA-N 2 1 288.435 2.400 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cnc(C)s2)[C@H](C)C1 ZINC000773079857 646704412 /nfs/dbraw/zinc/70/44/12/646704412.db2.gz DOCKVXRDOOBJQF-RISCZKNCSA-N 2 1 267.442 2.314 20 0 CEADMP C[N@H+]1CCN(Cc2cccc3c2CC[NH2+]C3)CCC1(C)C ZINC000864050068 646869730 /nfs/dbraw/zinc/86/97/30/646869730.db2.gz SRSAZTYKJDFLMP-UHFFFAOYSA-N 2 1 287.451 2.248 20 0 CEADMP CN1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)CCC1(C)C ZINC000864050068 646869733 /nfs/dbraw/zinc/86/97/33/646869733.db2.gz SRSAZTYKJDFLMP-UHFFFAOYSA-N 2 1 287.451 2.248 20 0 CEADMP CN1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCC1(C)C ZINC000864050068 646869739 /nfs/dbraw/zinc/86/97/39/646869739.db2.gz SRSAZTYKJDFLMP-UHFFFAOYSA-N 2 1 287.451 2.248 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000775378323 646946962 /nfs/dbraw/zinc/94/69/62/646946962.db2.gz KKDOJXAWAVHEJK-AAVRWANBSA-N 2 1 286.510 2.297 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])N[C@@H]2C[C@H]2C)c1 ZINC000864456900 647011541 /nfs/dbraw/zinc/01/15/41/647011541.db2.gz OLMKCSSXUGRMLZ-IUODEOHRSA-N 2 1 274.412 2.161 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865456835 647301543 /nfs/dbraw/zinc/30/15/43/647301543.db2.gz SVIGVAWCXVSVNB-SNVBAGLBSA-N 2 1 271.767 2.306 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865456835 647301545 /nfs/dbraw/zinc/30/15/45/647301545.db2.gz SVIGVAWCXVSVNB-SNVBAGLBSA-N 2 1 271.767 2.306 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@@H]2CCSC2)s1 ZINC000865651811 647407396 /nfs/dbraw/zinc/40/73/96/647407396.db2.gz GGZCTZKIYSKULC-LLVKDONJSA-N 2 1 285.482 2.438 20 0 CEADMP CC1(C)CC[C@@H](O)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000865699608 647430479 /nfs/dbraw/zinc/43/04/79/647430479.db2.gz CPKNOUIBVUKKOS-LXTVHRRPSA-N 2 1 266.429 2.142 20 0 CEADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CCCC2)C1 ZINC000781922736 647571560 /nfs/dbraw/zinc/57/15/60/647571560.db2.gz KNEMHRYCIZRNBB-QGZVFWFLSA-N 2 1 274.408 2.285 20 0 CEADMP CCc1cc(N2CCC[C@@H](C[NH+](C)C)C2)nc(C)[nH+]1 ZINC000782136034 647591846 /nfs/dbraw/zinc/59/18/46/647591846.db2.gz REEJVSDEXMGHGA-ZDUSSCGKSA-N 2 1 262.401 2.125 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000866248329 647693840 /nfs/dbraw/zinc/69/38/40/647693840.db2.gz MWTBQAVXVIDQQW-VGWMRTNUSA-N 2 1 278.440 2.266 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000866250882 647695259 /nfs/dbraw/zinc/69/52/59/647695259.db2.gz JLDUAVRKVYOAGD-LSDHHAIUSA-N 2 1 263.385 2.129 20 0 CEADMP C[N@@H+](Cc1nc(C2CCC2)no1)C1CCC([NH3+])CC1 ZINC000866662092 647859874 /nfs/dbraw/zinc/85/98/74/647859874.db2.gz WXSJUXMGJQTMMG-UHFFFAOYSA-N 2 1 264.373 2.039 20 0 CEADMP c1oc(C2CC2)nc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000866665229 647860767 /nfs/dbraw/zinc/86/07/67/647860767.db2.gz FOFZTGAGNJHEGH-AWEZNQCLSA-N 2 1 275.396 2.374 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)OC1 ZINC000866666840 647861963 /nfs/dbraw/zinc/86/19/63/647861963.db2.gz WFGZDHIBWXBROR-ZBFHGGJFSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000866704156 647875449 /nfs/dbraw/zinc/87/54/49/647875449.db2.gz RFKIOHRQZYGMLD-KRWDZBQOSA-N 2 1 289.423 2.322 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000866704156 647875451 /nfs/dbraw/zinc/87/54/51/647875451.db2.gz RFKIOHRQZYGMLD-KRWDZBQOSA-N 2 1 289.423 2.322 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1)C(C)C ZINC000866704576 647875813 /nfs/dbraw/zinc/87/58/13/647875813.db2.gz WAPVBJIVCGCQQB-QGZVFWFLSA-N 2 1 297.487 2.329 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000866706073 647876719 /nfs/dbraw/zinc/87/67/19/647876719.db2.gz LDMYWLHNZIFARB-KRWDZBQOSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC2CCOCC2)C1 ZINC000866706302 647876898 /nfs/dbraw/zinc/87/68/98/647876898.db2.gz NWTUEJRBTTUEFI-OAHLLOKOSA-N 2 1 254.418 2.110 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000866707836 647878292 /nfs/dbraw/zinc/87/82/92/647878292.db2.gz XCZCTKPPFILJRI-GFCCVEGCSA-N 2 1 282.350 2.262 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709658 647879052 /nfs/dbraw/zinc/87/90/52/647879052.db2.gz UFDCFNFKZAWWRQ-GUTXKFCHSA-N 2 1 254.418 2.108 20 0 CEADMP CC(C)C[N@@H+](CC1CC[NH2+]CC1)CC1CC[NH+](C)CC1 ZINC000866717903 647879899 /nfs/dbraw/zinc/87/98/99/647879899.db2.gz SYRVQCJODICMCH-UHFFFAOYSA-N 3 1 281.488 2.286 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000787767939 648137514 /nfs/dbraw/zinc/13/75/14/648137514.db2.gz WLHXEWWDFLEBTL-LBPRGKRZSA-N 2 1 276.771 2.288 20 0 CEADMP CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000788470614 648191893 /nfs/dbraw/zinc/19/18/93/648191893.db2.gz VPRHNRODUUFWGQ-DLBZAZTESA-N 2 1 276.424 2.259 20 0 CEADMP CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000788470614 648191895 /nfs/dbraw/zinc/19/18/95/648191895.db2.gz VPRHNRODUUFWGQ-DLBZAZTESA-N 2 1 276.424 2.259 20 0 CEADMP C[NH+]1CCC(CN2CC[N@@H+](C)CC23CCCCC3)CC1 ZINC000788481129 648192718 /nfs/dbraw/zinc/19/27/18/648192718.db2.gz FERJBXXBBPALEL-UHFFFAOYSA-N 2 1 279.472 2.279 20 0 CEADMP CCOC(=O)NC1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000790748591 648444063 /nfs/dbraw/zinc/44/40/63/648444063.db2.gz ZOSRBDOHVRBKPK-URGYJCLVSA-N 2 1 297.443 2.116 20 0 CEADMP CCOC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000790748591 648444066 /nfs/dbraw/zinc/44/40/66/648444066.db2.gz ZOSRBDOHVRBKPK-URGYJCLVSA-N 2 1 297.443 2.116 20 0 CEADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CCCOC1)C2 ZINC000122798044 648612854 /nfs/dbraw/zinc/61/28/54/648612854.db2.gz BZPPJMSPCTUPBX-KRWDZBQOSA-N 2 1 274.408 2.203 20 0 CEADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CCCOC1)C2 ZINC000122798044 648612860 /nfs/dbraw/zinc/61/28/60/648612860.db2.gz BZPPJMSPCTUPBX-KRWDZBQOSA-N 2 1 274.408 2.203 20 0 CEADMP Cc1[nH+]ccn1CCCOC(=O)c1ccc2c[nH+]cn2c1 ZINC000792547196 648653649 /nfs/dbraw/zinc/65/36/49/648653649.db2.gz VKGKIELHXBRRMR-UHFFFAOYSA-N 2 1 284.319 2.086 20 0 CEADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n(C)n1 ZINC000793526069 648770081 /nfs/dbraw/zinc/77/00/81/648770081.db2.gz WMIJAZPHKFFWOK-BFHYXJOUSA-N 2 1 262.401 2.006 20 0 CEADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n(C)n1 ZINC000793526069 648770082 /nfs/dbraw/zinc/77/00/82/648770082.db2.gz WMIJAZPHKFFWOK-BFHYXJOUSA-N 2 1 262.401 2.006 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)n(C)n1 ZINC000793527794 648771014 /nfs/dbraw/zinc/77/10/14/648771014.db2.gz VSLAZVGLHBKHBF-AWEZNQCLSA-N 2 1 278.444 2.500 20 0 CEADMP C[N@@H+](CCCNC(=O)CC[NH2+]CC1CC1)C1CCCCC1 ZINC000870918228 648953039 /nfs/dbraw/zinc/95/30/39/648953039.db2.gz FVQWSEFMBQXZJP-UHFFFAOYSA-N 2 1 295.471 2.147 20 0 CEADMP CSCCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784909 649184101 /nfs/dbraw/zinc/18/41/01/649184101.db2.gz ACJKERGCHWSUFU-YOGCLGLASA-N 2 1 271.430 2.111 20 0 CEADMP CSCCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784909 649184102 /nfs/dbraw/zinc/18/41/02/649184102.db2.gz ACJKERGCHWSUFU-YOGCLGLASA-N 2 1 271.430 2.111 20 0 CEADMP CC[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)[NH+](C)C ZINC000871798663 649190480 /nfs/dbraw/zinc/19/04/80/649190480.db2.gz PDNVHENDKMTPGD-YATPEIPISA-N 2 1 264.373 2.080 20 0 CEADMP CC(C)OC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000872115539 649282308 /nfs/dbraw/zinc/28/23/08/649282308.db2.gz LKDDGTBJPBJAAZ-MRXNPFEDSA-N 2 1 296.455 2.177 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC000872141670 649290449 /nfs/dbraw/zinc/29/04/49/649290449.db2.gz NGHWNVRIKLWPEE-UONOGXRCSA-N 2 1 254.418 2.251 20 0 CEADMP C(c1nc2c(o1)CCCC2)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000872142868 649292089 /nfs/dbraw/zinc/29/20/89/649292089.db2.gz HEXSRFCFHTWREY-AWEZNQCLSA-N 2 1 289.423 2.375 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccc(C)c(C(=O)OC)c2)CC[C@H]1[NH3+] ZINC000872143443 649292779 /nfs/dbraw/zinc/29/27/79/649292779.db2.gz MLPQZJYMHJHCGV-GDBMZVCRSA-N 2 1 290.407 2.341 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(C)c(C(=O)OC)c2)CC[C@H]1[NH3+] ZINC000872143443 649292784 /nfs/dbraw/zinc/29/27/84/649292784.db2.gz MLPQZJYMHJHCGV-GDBMZVCRSA-N 2 1 290.407 2.341 20 0 CEADMP C([C@H]1CC2(CCC2)CO1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000872143574 649293292 /nfs/dbraw/zinc/29/32/92/649293292.db2.gz SWOVFEQPCNMBKD-ZBFHGGJFSA-N 2 1 264.413 2.021 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000872143867 649294205 /nfs/dbraw/zinc/29/42/05/649294205.db2.gz YZLPXBXAJSVKQK-DRRXZNNHSA-N 2 1 278.440 2.266 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153303 649297396 /nfs/dbraw/zinc/29/73/96/649297396.db2.gz HONJPSGEXVCDHK-DOTOQJQBSA-N 2 1 274.408 2.305 20 0 CEADMP CC(=O)Nc1ccc2c(c1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000872154171 649298244 /nfs/dbraw/zinc/29/82/44/649298244.db2.gz MKZYIIOMGWLDTN-CQSZACIVSA-N 2 1 287.407 2.003 20 0 CEADMP CC(=O)Nc1ccc2c(c1)C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000872154171 649298246 /nfs/dbraw/zinc/29/82/46/649298246.db2.gz MKZYIIOMGWLDTN-CQSZACIVSA-N 2 1 287.407 2.003 20 0 CEADMP COc1cc2c(cc1OC)[C@@H](C)[N@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000872154741 649298422 /nfs/dbraw/zinc/29/84/22/649298422.db2.gz ADTBYRTZVIIUBT-CHWSQXEVSA-N 2 1 290.407 2.232 20 0 CEADMP COc1cc2c(cc1OC)[C@@H](C)[N@@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000872154741 649298424 /nfs/dbraw/zinc/29/84/24/649298424.db2.gz ADTBYRTZVIIUBT-CHWSQXEVSA-N 2 1 290.407 2.232 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000872153905 649298428 /nfs/dbraw/zinc/29/84/28/649298428.db2.gz JPVSHPYTJCMYSO-IJLUTSLNSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000872153905 649298430 /nfs/dbraw/zinc/29/84/30/649298430.db2.gz JPVSHPYTJCMYSO-IJLUTSLNSA-N 2 1 280.334 2.028 20 0 CEADMP COc1ccccc1NC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872155203 649298624 /nfs/dbraw/zinc/29/86/24/649298624.db2.gz NOSKUYPUYNUHJX-UHFFFAOYSA-N 2 1 293.411 2.085 20 0 CEADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H](C(F)(F)F)O1 ZINC000872154657 649298655 /nfs/dbraw/zinc/29/86/55/649298655.db2.gz VCSXQIRRWCNDOU-JQWIXIFHSA-N 2 1 280.334 2.028 20 0 CEADMP CCN(C(=O)C[N@@H+](C)CCCCCC[NH3+])c1ccccc1 ZINC000872155167 649298799 /nfs/dbraw/zinc/29/87/99/649298799.db2.gz NIIOPAYSRTZXLJ-UHFFFAOYSA-N 2 1 291.439 2.490 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872279376 649341753 /nfs/dbraw/zinc/34/17/53/649341753.db2.gz DCOOTNWSSVQFIS-XHSDSOJGSA-N 2 1 295.471 2.131 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000873133451 649565623 /nfs/dbraw/zinc/56/56/23/649565623.db2.gz HXGUDPAVOTWQGM-HUUCEWRRSA-N 2 1 298.471 2.017 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000873223350 649597069 /nfs/dbraw/zinc/59/70/69/649597069.db2.gz KUSWXXCUFYATQT-INIZCTEOSA-N 2 1 284.444 2.273 20 0 CEADMP CCOc1cccc(C[N@@H+](C)CCCCCC[NH3+])n1 ZINC000873231562 649602569 /nfs/dbraw/zinc/60/25/69/649602569.db2.gz OLKVPHSIRSVNEP-UHFFFAOYSA-N 2 1 265.401 2.431 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1noc2ccc(F)cc12 ZINC000873249453 649608518 /nfs/dbraw/zinc/60/85/18/649608518.db2.gz NJXAWAKBRMOTGL-GWCFXTLKSA-N 2 1 277.343 2.445 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1c[nH+]ccc1N ZINC000873250782 649609246 /nfs/dbraw/zinc/60/92/46/649609246.db2.gz HXSJAHLPLJEIKN-OLZOCXBDSA-N 2 1 275.396 2.352 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873256789 649612920 /nfs/dbraw/zinc/61/29/20/649612920.db2.gz OGDRNSOZNMHZID-NRSFXHEJSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000873256789 649612921 /nfs/dbraw/zinc/61/29/21/649612921.db2.gz OGDRNSOZNMHZID-NRSFXHEJSA-N 2 1 287.451 2.224 20 0 CEADMP Nc1cc(F)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000873289444 649628198 /nfs/dbraw/zinc/62/81/98/649628198.db2.gz UZTFESDEMRFDOY-GJZGRUSLSA-N 2 1 263.360 2.124 20 0 CEADMP Nc1cc(F)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000873289444 649628203 /nfs/dbraw/zinc/62/82/03/649628203.db2.gz UZTFESDEMRFDOY-GJZGRUSLSA-N 2 1 263.360 2.124 20 0 CEADMP Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000873295551 649631438 /nfs/dbraw/zinc/63/14/38/649631438.db2.gz KDJMHPNMSZIKFZ-GWCFXTLKSA-N 2 1 285.395 2.359 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC1CC2(CCC2)C1 ZINC000878317500 651065311 /nfs/dbraw/zinc/06/53/11/651065311.db2.gz RVTXTUWQVAIYCF-UHFFFAOYSA-N 2 1 279.472 2.136 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000878550014 651127783 /nfs/dbraw/zinc/12/77/83/651127783.db2.gz TVFMLQXUDIAGOZ-GASCZTMLSA-N 2 1 266.429 2.219 20 0 CEADMP CN(C)c1cccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879572458 651324177 /nfs/dbraw/zinc/32/41/77/651324177.db2.gz HNPXTJCPDBCJGY-WBVHZDCISA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1cccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879572458 651324178 /nfs/dbraw/zinc/32/41/78/651324178.db2.gz HNPXTJCPDBCJGY-WBVHZDCISA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000879572458 651324179 /nfs/dbraw/zinc/32/41/79/651324179.db2.gz HNPXTJCPDBCJGY-WBVHZDCISA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000879572458 651324180 /nfs/dbraw/zinc/32/41/80/651324180.db2.gz HNPXTJCPDBCJGY-WBVHZDCISA-N 2 1 273.424 2.279 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(C)(C)CO3)CC[C@@H]21 ZINC000879578638 651325953 /nfs/dbraw/zinc/32/59/53/651325953.db2.gz GFJSXWZCJPDLRL-ILXRZTDVSA-N 2 1 266.429 2.218 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(C)(C)CO3)CC[C@@H]21 ZINC000879578638 651325954 /nfs/dbraw/zinc/32/59/54/651325954.db2.gz GFJSXWZCJPDLRL-ILXRZTDVSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC(C)(C)CO3)CC[C@@H]21 ZINC000879578638 651325955 /nfs/dbraw/zinc/32/59/55/651325955.db2.gz GFJSXWZCJPDLRL-ILXRZTDVSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC(C)(C)CO3)CC[C@@H]21 ZINC000879578638 651325956 /nfs/dbraw/zinc/32/59/56/651325956.db2.gz GFJSXWZCJPDLRL-ILXRZTDVSA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)C[N@H+](CC(=O)NC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000879702554 651341458 /nfs/dbraw/zinc/34/14/58/651341458.db2.gz PUNGYYLFDMEMKR-UHFFFAOYSA-N 2 1 297.487 2.201 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000880136839 651389252 /nfs/dbraw/zinc/38/92/52/651389252.db2.gz SXUFKPQRJAXLIE-HOTGVXAUSA-N 2 1 275.396 2.067 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000880136839 651389255 /nfs/dbraw/zinc/38/92/55/651389255.db2.gz SXUFKPQRJAXLIE-HOTGVXAUSA-N 2 1 275.396 2.067 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880146045 651392528 /nfs/dbraw/zinc/39/25/28/651392528.db2.gz JSKSJADVIBLLAH-AWEZNQCLSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880146045 651392530 /nfs/dbraw/zinc/39/25/30/651392530.db2.gz JSKSJADVIBLLAH-AWEZNQCLSA-N 2 1 265.401 2.065 20 0 CEADMP C[C@H]1C[N@@H+](CCC[C@H]2CCOC2)CCN1c1cc[nH+]cc1 ZINC000880259298 651411646 /nfs/dbraw/zinc/41/16/46/651411646.db2.gz PJQUAUWZACQMFX-HOTGVXAUSA-N 2 1 289.423 2.409 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)O1 ZINC000880260210 651412133 /nfs/dbraw/zinc/41/21/33/651412133.db2.gz NZWXFCWTBRHNNV-LZWOXQAQSA-N 2 1 275.396 2.160 20 0 CEADMP CCOCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880262635 651412492 /nfs/dbraw/zinc/41/24/92/651412492.db2.gz QXSFKXJGHOJDFB-CQSZACIVSA-N 2 1 263.385 2.019 20 0 CEADMP C[C@H](CC[N@H+]1CC[C@H](CF)C1)[NH+]1CC[C@@H](CF)C1 ZINC000880296632 651418305 /nfs/dbraw/zinc/41/83/05/651418305.db2.gz FLHUAJDKBJEKRO-MCIONIFRSA-N 2 1 260.372 2.348 20 0 CEADMP C[C@H](CC[NH+]1CC[C@H](CF)C1)[N@@H+]1CC[C@@H](CF)C1 ZINC000880296632 651418306 /nfs/dbraw/zinc/41/83/06/651418306.db2.gz FLHUAJDKBJEKRO-MCIONIFRSA-N 2 1 260.372 2.348 20 0 CEADMP C[C@H](CC[NH+]1CC[C@H](CF)C1)[N@H+]1CC[C@@H](CF)C1 ZINC000880296632 651418308 /nfs/dbraw/zinc/41/83/08/651418308.db2.gz FLHUAJDKBJEKRO-MCIONIFRSA-N 2 1 260.372 2.348 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@]2(C)OCCc3ccccc32)CC1 ZINC000883339861 652436113 /nfs/dbraw/zinc/43/61/13/652436113.db2.gz CWMCLLASZVKKMN-QGZVFWFLSA-N 2 1 274.408 2.158 20 0 CEADMP C[C@@](C[NH3+])([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)C1CC1 ZINC000883418924 652462756 /nfs/dbraw/zinc/46/27/56/652462756.db2.gz WABLYHLGJKHDKM-WFASDCNBSA-N 2 1 254.418 2.297 20 0 CEADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000884204284 652751392 /nfs/dbraw/zinc/75/13/92/652751392.db2.gz RSQYHEKJFFPXJQ-LSDHHAIUSA-N 2 1 297.487 2.233 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884220899 652756692 /nfs/dbraw/zinc/75/66/92/652756692.db2.gz DWXLYSVCFSGJLN-LSDHHAIUSA-N 2 1 297.487 2.377 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884381100 652825982 /nfs/dbraw/zinc/82/59/82/652825982.db2.gz UYGIHDABCJLCGE-CQSZACIVSA-N 2 1 285.476 2.090 20 0 CEADMP Cc1cc(N2CCN(c3cc[nH+]cc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000884855371 652974988 /nfs/dbraw/zinc/97/49/88/652974988.db2.gz DXEIXSIQEBJCER-ZDUSSCGKSA-N 2 1 283.379 2.204 20 0 CEADMP Cc1[nH+]cc2n1CCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164450570 718991891 /nfs/dbraw/zinc/99/18/91/718991891.db2.gz YRUGUBNXLPKDPE-UHFFFAOYSA-N 2 1 297.406 2.203 20 0 CEADMP c1cc2c[nH+]c(N3CC4(C3)CC[N@H+](CC3CC3)C4)cc2[nH]1 ZINC001164766207 721281292 /nfs/dbraw/zinc/28/12/92/721281292.db2.gz ADGFLFGYOSKKTM-UHFFFAOYSA-N 2 1 282.391 2.485 20 0 CEADMP Cc1cc2c(nc[nH+]c2N2CC3(C2)CC[N@H+](CC2CC2)C3)[nH]1 ZINC001164773127 721285360 /nfs/dbraw/zinc/28/53/60/721285360.db2.gz NKHVJIHIROTNKQ-UHFFFAOYSA-N 2 1 297.406 2.188 20 0 CEADMP Cc1cc2c(nc[nH+]c2N2CC3(C2)CC[N@@H+](CC2CC2)C3)[nH]1 ZINC001164773127 721285366 /nfs/dbraw/zinc/28/53/66/721285366.db2.gz NKHVJIHIROTNKQ-UHFFFAOYSA-N 2 1 297.406 2.188 20 0 CEADMP C[N@@H+]([C@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995362 805598529 /nfs/dbraw/zinc/59/85/29/805598529.db2.gz CHUMZEJIBKNOTA-QGPPMGRFSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]([C@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995362 805598531 /nfs/dbraw/zinc/59/85/31/805598531.db2.gz CHUMZEJIBKNOTA-QGPPMGRFSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]([C@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995362 805598535 /nfs/dbraw/zinc/59/85/35/805598535.db2.gz CHUMZEJIBKNOTA-QGPPMGRFSA-N 2 1 264.413 2.113 20 0 CEADMP C[C@@H]1C[C@@H](N2CC([NH3+])C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008425 805672732 /nfs/dbraw/zinc/67/27/32/805672732.db2.gz DOXXPULETZPMOA-XOIINTDNSA-N 2 1 273.424 2.071 20 0 CEADMP CCOC(=O)c1ccc(CCC[N@@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204762628 805743909 /nfs/dbraw/zinc/74/39/09/805743909.db2.gz AJBJUOGZPOJOEB-KRWDZBQOSA-N 2 1 290.407 2.219 20 0 CEADMP CCOC(=O)c1ccc(CCC[N@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204762628 805743912 /nfs/dbraw/zinc/74/39/12/805743912.db2.gz AJBJUOGZPOJOEB-KRWDZBQOSA-N 2 1 290.407 2.219 20 0 CEADMP Cc1cc(F)cc(C[NH+]2CCN(CCC[NH+](C)C)CC2)c1 ZINC001143590035 805757954 /nfs/dbraw/zinc/75/79/54/805757954.db2.gz MFBRHNKZYREXQQ-UHFFFAOYSA-N 2 1 293.430 2.203 20 0 CEADMP CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001088316828 806112015 /nfs/dbraw/zinc/11/20/15/806112015.db2.gz KGGZCYSMAGJQOJ-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001088317851 806113701 /nfs/dbraw/zinc/11/37/01/806113701.db2.gz PXVHYSJNCXSJDX-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC001168092936 806146473 /nfs/dbraw/zinc/14/64/73/806146473.db2.gz JYTDEHPUWBSNJH-IMJJTQAJSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC001168092936 806146479 /nfs/dbraw/zinc/14/64/79/806146479.db2.gz JYTDEHPUWBSNJH-IMJJTQAJSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC001168103339 806167459 /nfs/dbraw/zinc/16/74/59/806167459.db2.gz IWIPRSDSQMWGHN-YJNKXOJESA-N 2 1 254.418 2.262 20 0 CEADMP CC(C)[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088413298 806194373 /nfs/dbraw/zinc/19/43/73/806194373.db2.gz CHWIGSQATZHOEM-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001088431355 806208260 /nfs/dbraw/zinc/20/82/60/806208260.db2.gz RFEBZASLMAOEBW-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203427484 806355149 /nfs/dbraw/zinc/35/51/49/806355149.db2.gz UJEREQWKQWVGGA-KGLIPLIRSA-N 2 1 295.471 2.001 20 0 CEADMP CCCCc1nc(N[C@H]2C[NH2+]CC[C@H]2F)cc(C)[nH+]1 ZINC001168227684 806422994 /nfs/dbraw/zinc/42/29/94/806422994.db2.gz VNMWURDDFMBOFG-NEPJUHHUSA-N 2 1 266.364 2.240 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC001168313426 806647616 /nfs/dbraw/zinc/64/76/16/806647616.db2.gz CNKCMVVIGOHSHA-GPANFISMSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC001168315541 806648733 /nfs/dbraw/zinc/64/87/33/806648733.db2.gz YFACYMFYFWLBLR-YMAMQOFZSA-N 2 1 254.418 2.096 20 0 CEADMP CO[C@@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168324039 806654488 /nfs/dbraw/zinc/65/44/88/806654488.db2.gz HFBSQCINLSTMMU-YMAMQOFZSA-N 2 1 254.418 2.360 20 0 CEADMP COC(=O)[C@H]1CCC[N@@H+](C2CCC([NH+](C)C)CC2)[C@@H]1C ZINC001168323710 806654960 /nfs/dbraw/zinc/65/49/60/806654960.db2.gz BCQHSUGOHQMWTE-URGYJCLVSA-N 2 1 282.428 2.133 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@]3(CCO3)C2)CC1 ZINC001168328181 806657970 /nfs/dbraw/zinc/65/79/70/806657970.db2.gz YSKHRWPAWYGYMF-NRXISQOPSA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)CC1 ZINC001168328157 806658964 /nfs/dbraw/zinc/65/89/64/806658964.db2.gz XWKTUAKPYBFEQF-HWIRSSMVSA-N 2 1 292.345 2.263 20 0 CEADMP c1cc2cccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)n2n1 ZINC001168363386 806757765 /nfs/dbraw/zinc/75/77/65/806757765.db2.gz ZNWFXHMJGTWBFZ-UHFFFAOYSA-N 2 1 284.407 2.298 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000387586849 806843880 /nfs/dbraw/zinc/84/38/80/806843880.db2.gz ORRUILCAYSYPMK-PMPSAXMXSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000387586849 806843887 /nfs/dbraw/zinc/84/38/87/806843887.db2.gz ORRUILCAYSYPMK-PMPSAXMXSA-N 2 1 266.429 2.408 20 0 CEADMP CCCCC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266246856 802315599 /nfs/dbraw/zinc/31/55/99/802315599.db2.gz XSNYYNSXYZOOSR-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CO[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)[C@@H](C)C1 ZINC001208115743 802342659 /nfs/dbraw/zinc/34/26/59/802342659.db2.gz MHFLTBVYNDCMHG-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP C[N@H+]1CC=C(Nc2cc[nH+]cc2C(F)(F)F)CC1 ZINC001208717039 802402731 /nfs/dbraw/zinc/40/27/31/802402731.db2.gz AQSZVTPWWIDTCW-UHFFFAOYSA-N 2 1 257.259 2.154 20 0 CEADMP C[N@@H+]1CC=C(Nc2cc[nH+]cc2C(F)(F)F)CC1 ZINC001208717039 802402736 /nfs/dbraw/zinc/40/27/36/802402736.db2.gz AQSZVTPWWIDTCW-UHFFFAOYSA-N 2 1 257.259 2.154 20 0 CEADMP C[N@@H+](C1CCOCC1)C1CCN(C[C@@H]2CCC=CO2)CC1 ZINC001208879039 802426003 /nfs/dbraw/zinc/42/60/03/802426003.db2.gz CQOXVUDTCQDJIM-KRWDZBQOSA-N 2 1 294.439 2.254 20 0 CEADMP C[N@H+](C1CCOCC1)C1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC001208879039 802426006 /nfs/dbraw/zinc/42/60/06/802426006.db2.gz CQOXVUDTCQDJIM-KRWDZBQOSA-N 2 1 294.439 2.254 20 0 CEADMP C[N@@H+](C1CCOCC1)C1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC001208879039 802426011 /nfs/dbraw/zinc/42/60/11/802426011.db2.gz CQOXVUDTCQDJIM-KRWDZBQOSA-N 2 1 294.439 2.254 20 0 CEADMP COCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209214131 802486030 /nfs/dbraw/zinc/48/60/30/802486030.db2.gz LTPIPCGOFKJHJW-ROUUACIJSA-N 2 1 288.435 2.477 20 0 CEADMP COCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209214131 802486034 /nfs/dbraw/zinc/48/60/34/802486034.db2.gz LTPIPCGOFKJHJW-ROUUACIJSA-N 2 1 288.435 2.477 20 0 CEADMP COCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209214131 802486037 /nfs/dbraw/zinc/48/60/37/802486037.db2.gz LTPIPCGOFKJHJW-ROUUACIJSA-N 2 1 288.435 2.477 20 0 CEADMP Nc1ccc[nH+]c1N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001167160650 802551408 /nfs/dbraw/zinc/55/14/08/802551408.db2.gz WEIUBFXDKWTXMO-UHFFFAOYSA-N 2 1 294.402 2.305 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000721427549 802627315 /nfs/dbraw/zinc/62/73/15/802627315.db2.gz QNWFDQZBJSQRDJ-QCNOEVLYSA-N 2 1 280.334 2.156 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000721427549 802627317 /nfs/dbraw/zinc/62/73/17/802627317.db2.gz QNWFDQZBJSQRDJ-QCNOEVLYSA-N 2 1 280.334 2.156 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[NH2+][C@@H](C)CC2)c(C)c1 ZINC001210495743 802692515 /nfs/dbraw/zinc/69/25/15/802692515.db2.gz BICSIDZYHJJBFN-AWEZNQCLSA-N 2 1 262.397 2.496 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[NH2+][C@@H](C)CC2)c(C)c1 ZINC001210495743 802692519 /nfs/dbraw/zinc/69/25/19/802692519.db2.gz BICSIDZYHJJBFN-AWEZNQCLSA-N 2 1 262.397 2.496 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@H](O)CC1CCCC1 ZINC000710779025 809993241 /nfs/dbraw/zinc/99/32/41/809993241.db2.gz FPCXUEHGKBLOHR-OAHLLOKOSA-N 2 1 256.434 2.379 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339065572 802749914 /nfs/dbraw/zinc/74/99/14/802749914.db2.gz AKQMOGJZCVRDRL-JJXSEGSLSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339065572 802749915 /nfs/dbraw/zinc/74/99/15/802749915.db2.gz AKQMOGJZCVRDRL-JJXSEGSLSA-N 3 1 265.445 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339065572 802749918 /nfs/dbraw/zinc/74/99/18/802749918.db2.gz AKQMOGJZCVRDRL-JJXSEGSLSA-N 3 1 265.445 2.076 20 0 CEADMP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001266707899 802854230 /nfs/dbraw/zinc/85/42/30/802854230.db2.gz IBDRJYQDHCHVMO-OAGGEKHMSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000723647617 802916499 /nfs/dbraw/zinc/91/64/99/802916499.db2.gz RNKBJTAKOUSYCH-KBPBESRZSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000723647617 802916502 /nfs/dbraw/zinc/91/65/02/802916502.db2.gz RNKBJTAKOUSYCH-KBPBESRZSA-N 2 1 263.385 2.255 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000723703616 802926747 /nfs/dbraw/zinc/92/67/47/802926747.db2.gz SFDJFLTUBAVEKE-NXEZZACHSA-N 2 1 251.201 2.241 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C[NH2+]1 ZINC000398994793 802932261 /nfs/dbraw/zinc/93/22/61/802932261.db2.gz OKRBVPZWRNFECM-GXTWGEPZSA-N 2 1 257.381 2.441 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)O2)C[C@H]1CC[NH3+] ZINC000723882880 802963459 /nfs/dbraw/zinc/96/34/59/802963459.db2.gz MMZKMNMGDXXJOF-MGPQQGTHSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1CC[NH3+] ZINC000723895341 802965833 /nfs/dbraw/zinc/96/58/33/802965833.db2.gz VMMBGAWYCGTLDT-GHMZBOCLSA-N 2 1 253.777 2.152 20 0 CEADMP OCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000399165640 802972279 /nfs/dbraw/zinc/97/22/79/802972279.db2.gz GTUKOJHZXGHORZ-YPMHNXCESA-N 2 1 294.361 2.154 20 0 CEADMP C1CC1[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCOC1 ZINC000723979105 802984945 /nfs/dbraw/zinc/98/49/45/802984945.db2.gz VGQZMYGTYJOOFK-QBPKDAKJSA-N 2 1 278.440 2.408 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCOC1 ZINC000724013404 803004137 /nfs/dbraw/zinc/00/41/37/803004137.db2.gz QJEYZLBVIVKUCM-FPCVCCKLSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH+]1CCC(C[NH2+]Cc2nc(C(C)(C)C)co2)CC1 ZINC000724412759 803105134 /nfs/dbraw/zinc/10/51/34/803105134.db2.gz HUCHWPJPXWAKMR-UHFFFAOYSA-N 2 1 265.401 2.404 20 0 CEADMP CCCC[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001267182283 803200445 /nfs/dbraw/zinc/20/04/45/803200445.db2.gz YOGIRMWKPDGMOR-MRXNPFEDSA-N 2 1 295.471 2.243 20 0 CEADMP CCn1cc(C[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cn1 ZINC000693694048 803242470 /nfs/dbraw/zinc/24/24/70/803242470.db2.gz ATAUVBCABPGLSR-UHFFFAOYSA-N 2 1 290.436 2.242 20 0 CEADMP CCn1cc(C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cn1 ZINC000693694048 803242471 /nfs/dbraw/zinc/24/24/71/803242471.db2.gz ATAUVBCABPGLSR-UHFFFAOYSA-N 2 1 290.436 2.242 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCC2SCCS2)CC[N@H+]1C ZINC000693779723 803277146 /nfs/dbraw/zinc/27/71/46/803277146.db2.gz MCHMKADGMLHZBY-WDEREUQCSA-N 2 1 260.472 2.255 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC2SCCS2)CC[N@H+]1C ZINC000693779720 803277327 /nfs/dbraw/zinc/27/73/27/803277327.db2.gz MCHMKADGMLHZBY-GHMZBOCLSA-N 2 1 260.472 2.255 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246800203 814260919 /nfs/dbraw/zinc/26/09/19/814260919.db2.gz WLFZELHJKLNAJX-HOTGVXAUSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000724928198 803352389 /nfs/dbraw/zinc/35/23/89/803352389.db2.gz ZXSKGMHHSBOJKO-RDBSUJKOSA-N 2 1 297.443 2.068 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1COCC1(C)C ZINC000313115475 803676669 /nfs/dbraw/zinc/67/66/69/803676669.db2.gz IBBQUNOUKDGKDC-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]CC(C)C)C1 ZINC001267897685 803808051 /nfs/dbraw/zinc/80/80/51/803808051.db2.gz YQOACVBOKZQNEW-INIZCTEOSA-N 2 1 297.487 2.203 20 0 CEADMP C[NH2+][C@H](C)CC[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC001117953696 814968778 /nfs/dbraw/zinc/96/87/78/814968778.db2.gz MFEKGHYRMOUOFI-CYBMUJFWSA-N 2 1 270.380 2.231 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715518311 814971753 /nfs/dbraw/zinc/97/17/53/814971753.db2.gz JSWQACMVJWAJII-SOUVJXGZSA-N 2 1 252.402 2.147 20 0 CEADMP O[C@@]1(C(F)(F)F)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709460904 803866233 /nfs/dbraw/zinc/86/62/33/803866233.db2.gz HAVLHDRMXOWOFQ-HNGCFSAESA-N 2 1 292.345 2.049 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CCC(C)C)CC[N@H+]1C ZINC001267986714 803890159 /nfs/dbraw/zinc/89/01/59/803890159.db2.gz OCZDQXOYJMGRIQ-OWCLPIDISA-N 2 1 297.487 2.105 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)CC[N@@H+]1C ZINC000715542976 814974979 /nfs/dbraw/zinc/97/49/79/814974979.db2.gz MXCMULGFAQTDQG-CIDNJEQPSA-N 3 1 267.461 2.322 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)CC[N@H+]1C ZINC000715542976 814974982 /nfs/dbraw/zinc/97/49/82/814974982.db2.gz MXCMULGFAQTDQG-CIDNJEQPSA-N 3 1 267.461 2.322 20 0 CEADMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1)[NH+](C)C ZINC001027459988 804080090 /nfs/dbraw/zinc/08/00/90/804080090.db2.gz FIQBXGXCDUCQOZ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027695428 804199465 /nfs/dbraw/zinc/19/94/65/804199465.db2.gz VCLLNVZZSMAWFT-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027970886 804371377 /nfs/dbraw/zinc/37/13/77/804371377.db2.gz UTSPDEKJBHGLCJ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027970886 804371382 /nfs/dbraw/zinc/37/13/82/804371382.db2.gz UTSPDEKJBHGLCJ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001027970886 804371390 /nfs/dbraw/zinc/37/13/90/804371390.db2.gz UTSPDEKJBHGLCJ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001027970886 804371396 /nfs/dbraw/zinc/37/13/96/804371396.db2.gz UTSPDEKJBHGLCJ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268069288 804375262 /nfs/dbraw/zinc/37/52/62/804375262.db2.gz VPSASEXFFNWXQX-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP CCOC(=O)[C@H]1CC[N@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167824232 804378955 /nfs/dbraw/zinc/37/89/55/804378955.db2.gz CTPTZTUEWYPYBR-CABCVRRESA-N 2 1 284.444 2.382 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001167835587 804428587 /nfs/dbraw/zinc/42/85/87/804428587.db2.gz IXAJPBGHPVGPCA-UHFFFAOYSA-N 2 1 295.471 2.004 20 0 CEADMP CC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001268150850 804490467 /nfs/dbraw/zinc/49/04/67/804490467.db2.gz MENUNOFVRHMKMZ-MWWKQMNYSA-N 2 1 295.471 2.264 20 0 CEADMP CC/C=C\CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001268150850 804490470 /nfs/dbraw/zinc/49/04/70/804490470.db2.gz MENUNOFVRHMKMZ-MWWKQMNYSA-N 2 1 295.471 2.264 20 0 CEADMP CC/C=C\CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001268150850 804490473 /nfs/dbraw/zinc/49/04/73/804490473.db2.gz MENUNOFVRHMKMZ-MWWKQMNYSA-N 2 1 295.471 2.264 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC(C)C ZINC001268372482 804638365 /nfs/dbraw/zinc/63/83/65/804638365.db2.gz ZFJGJBJIZNIWJA-LSDHHAIUSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@H](C[NH2+]CCCC1CCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268650856 804909231 /nfs/dbraw/zinc/90/92/31/804909231.db2.gz BFQGGVGBNWIVRK-ZBFHGGJFSA-N 2 1 295.471 2.145 20 0 CEADMP CN(CCC[NH2+]CC1CCC1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001268848366 804987521 /nfs/dbraw/zinc/98/75/21/804987521.db2.gz ZEIVEVATKJVBIH-UHFFFAOYSA-N 2 1 297.487 2.203 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CCC1CC1 ZINC001268962471 805013301 /nfs/dbraw/zinc/01/33/01/805013301.db2.gz RFOMOEWLGZVAHS-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C(C1CC1)[NH+]1CCC([N@H+]2CC[C@]3(C2)CCCOC3)CC1 ZINC001168387297 807041693 /nfs/dbraw/zinc/04/16/93/807041693.db2.gz CGCRJQRYEVCHAH-KRWDZBQOSA-N 2 1 278.440 2.363 20 0 CEADMP C[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000710775883 805056814 /nfs/dbraw/zinc/05/68/14/805056814.db2.gz YCUIHZQIUXVFIX-UBLGTCEWSA-N 2 1 299.462 2.476 20 0 CEADMP CCOCC[NH+](CCOCC)C1CC[NH+](CC2CC2)CC1 ZINC001168390014 807054140 /nfs/dbraw/zinc/05/41/40/807054140.db2.gz DHUMSNFUEXZHBI-UHFFFAOYSA-N 2 1 298.471 2.236 20 0 CEADMP CCC[N@H+]1CC[C@@H](N(CC)C(=O)CCCC[NH+](C)C)C1 ZINC001269354816 805138068 /nfs/dbraw/zinc/13/80/68/805138068.db2.gz BQZFHNUUGCYBBK-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CC/C=C/CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001269407400 805155673 /nfs/dbraw/zinc/15/56/73/805155673.db2.gz DGOQTHRDZUSLRA-RUSYJIMHSA-N 2 1 295.471 2.167 20 0 CEADMP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001269501961 805180894 /nfs/dbraw/zinc/18/08/94/805180894.db2.gz KCBGRKMIRIVKTC-HNNXBMFYSA-N 2 1 295.471 2.288 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CCC(CC[NH2+]CC(C)C)CC1 ZINC001269935529 805291587 /nfs/dbraw/zinc/29/15/87/805291587.db2.gz RMCNEQNIJKRNAI-UHFFFAOYSA-N 2 1 297.487 2.203 20 0 CEADMP CSCC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964769 805452506 /nfs/dbraw/zinc/45/25/06/805452506.db2.gz XTYCNLYPEGERLD-HNSVSWJLSA-N 2 1 298.496 2.095 20 0 CEADMP CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001270604279 805483234 /nfs/dbraw/zinc/48/32/34/805483234.db2.gz QCGZPNVAQWALKU-CABCVRRESA-N 2 1 283.460 2.003 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cnn(C)c1 ZINC001167967586 805488877 /nfs/dbraw/zinc/48/88/77/805488877.db2.gz HQNLILQUPOKUNY-RJCAOGMDSA-N 2 1 288.439 2.476 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cnn(C)c1 ZINC001167967586 805488882 /nfs/dbraw/zinc/48/88/82/805488882.db2.gz HQNLILQUPOKUNY-RJCAOGMDSA-N 2 1 288.439 2.476 20 0 CEADMP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCOC1 ZINC001167977529 805512012 /nfs/dbraw/zinc/51/20/12/805512012.db2.gz DIVSDDFJJFGNRQ-NPYXIHBLSA-N 2 1 278.440 2.408 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168400231 807096963 /nfs/dbraw/zinc/09/69/63/807096963.db2.gz JZKJQHOHXZMKBY-INIZCTEOSA-N 2 1 273.355 2.478 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CCCO1 ZINC001232144212 807223133 /nfs/dbraw/zinc/22/31/33/807223133.db2.gz HIKSMBCGOWMXNM-CYBMUJFWSA-N 2 1 280.387 2.498 20 0 CEADMP C([C@@H]1CCC2(CCC2)CO1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000716335700 815115774 /nfs/dbraw/zinc/11/57/74/815115774.db2.gz RUSNSFMGQICCEE-RDJZCZTQSA-N 2 1 278.440 2.411 20 0 CEADMP CC(C)CC[N@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001272449419 807492773 /nfs/dbraw/zinc/49/27/73/807492773.db2.gz YSXABVRCIZGNTB-QGZVFWFLSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H]([NH3+])CC1)OCc1ccccc1 ZINC001205094393 807578180 /nfs/dbraw/zinc/57/81/80/807578180.db2.gz LVPFAXRTQGWORC-GOEBONIOSA-N 2 1 262.397 2.405 20 0 CEADMP COc1ccc(CC[N@H+]2CCC[C@H]([NH3+])CC2)cc1OC ZINC001205095538 807595969 /nfs/dbraw/zinc/59/59/69/807595969.db2.gz YMEVJVRXCNRGIN-AWEZNQCLSA-N 2 1 278.396 2.060 20 0 CEADMP CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234344696 807645961 /nfs/dbraw/zinc/64/59/61/807645961.db2.gz AOEUQTKXKRAYNE-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)CO1 ZINC000699259957 807664142 /nfs/dbraw/zinc/66/41/42/807664142.db2.gz LNEFRDOTYQSQNW-MNFFZHCASA-N 2 1 252.402 2.016 20 0 CEADMP CCO[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699282567 807670211 /nfs/dbraw/zinc/67/02/11/807670211.db2.gz OHYJMCYFPWKGKP-JALIKCBVSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716709649 815143261 /nfs/dbraw/zinc/14/32/61/815143261.db2.gz BYQDUUKUNUQGRM-IWCQGFGOSA-N 2 1 274.408 2.010 20 0 CEADMP COCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716714766 815143289 /nfs/dbraw/zinc/14/32/89/815143289.db2.gz WCGDQYWCSVCGTG-BBWFWOEESA-N 2 1 274.408 2.276 20 0 CEADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccnnc2)CC1(C)C ZINC001171622160 815205106 /nfs/dbraw/zinc/20/51/06/815205106.db2.gz WGXVHAGXORWUOM-UHFFFAOYSA-N 2 1 262.401 2.218 20 0 CEADMP C[C@H]1C[C@@H](n2ccc(CC[NH3+])n2)C[N@H+]1Cc1ccccc1 ZINC001171724770 815218363 /nfs/dbraw/zinc/21/83/63/815218363.db2.gz AMDYAQVRVGNKPE-WMLDXEAASA-N 2 1 284.407 2.220 20 0 CEADMP C[C@H]1C[C@@H](n2ccnc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171727109 815218740 /nfs/dbraw/zinc/21/87/40/815218740.db2.gz PSZDOFHXWUTCAN-DZGCQCFKSA-N 2 1 270.380 2.177 20 0 CEADMP C[C@H]1C[C@@H](Nc2nccnc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171732840 815220416 /nfs/dbraw/zinc/22/04/16/815220416.db2.gz GEDOPZCRHVYJQL-DZGCQCFKSA-N 2 1 297.406 2.010 20 0 CEADMP C[C@@H]1C[C@@H](N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171758867 815225616 /nfs/dbraw/zinc/22/56/16/815225616.db2.gz CAOISRZVQDSMEP-QXCFHYIPSA-N 2 1 299.462 2.285 20 0 CEADMP C[C@@H]1C[C@@H](N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171758867 815225618 /nfs/dbraw/zinc/22/56/18/815225618.db2.gz CAOISRZVQDSMEP-QXCFHYIPSA-N 2 1 299.462 2.285 20 0 CEADMP C[C@@H]1C[C@@H](N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171758867 815225624 /nfs/dbraw/zinc/22/56/24/815225624.db2.gz CAOISRZVQDSMEP-QXCFHYIPSA-N 2 1 299.462 2.285 20 0 CEADMP COc1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@@H]([NH3+])C3)CCO2)cc1 ZINC001168585587 808676826 /nfs/dbraw/zinc/67/68/26/808676826.db2.gz HXQJZZYSJRBPRJ-INMHGKMJSA-N 2 1 290.407 2.338 20 0 CEADMP COc1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@@H]([NH3+])C3)CCO2)cc1 ZINC001168585587 808676827 /nfs/dbraw/zinc/67/68/27/808676827.db2.gz HXQJZZYSJRBPRJ-INMHGKMJSA-N 2 1 290.407 2.338 20 0 CEADMP CCN(C1C[NH+](C)C1)[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171768834 815228731 /nfs/dbraw/zinc/22/87/31/815228731.db2.gz XFDSHCZWOQPUOA-RDJZCZTQSA-N 2 1 287.451 2.285 20 0 CEADMP CCN(C1C[NH+](C)C1)[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171768834 815228733 /nfs/dbraw/zinc/22/87/33/815228733.db2.gz XFDSHCZWOQPUOA-RDJZCZTQSA-N 2 1 287.451 2.285 20 0 CEADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1Cc2cccc(F)c2C1 ZINC001171772974 815230332 /nfs/dbraw/zinc/23/03/32/815230332.db2.gz HEVLJDOITYWKNN-ZDUSSCGKSA-N 2 1 250.361 2.352 20 0 CEADMP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1(C)C ZINC001120519306 815232468 /nfs/dbraw/zinc/23/24/68/815232468.db2.gz HHIBDIWUMXPYCK-RBSFLKMASA-N 2 1 262.397 2.038 20 0 CEADMP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C)[NH+](C)C ZINC001032634440 808747254 /nfs/dbraw/zinc/74/72/54/808747254.db2.gz JVGJHWBTIONFAT-KKUMJFAQSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001272954208 808995764 /nfs/dbraw/zinc/99/57/64/808995764.db2.gz IAYQEFCMCBNAIE-GJZGRUSLSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963525 815253676 /nfs/dbraw/zinc/25/36/76/815253676.db2.gz HVEIOHIPAAAAPR-GDBMZVCRSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1C[C@H](OC)C12CCC2)[NH+]1CCCC1 ZINC000453083066 809034941 /nfs/dbraw/zinc/03/49/41/809034941.db2.gz MUJUXPMMYHHPEB-KFWWJZLASA-N 2 1 266.429 2.408 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C12CCC2 ZINC000453392443 809049071 /nfs/dbraw/zinc/04/90/71/809049071.db2.gz FKKJXAVFTPUZSW-HUUCEWRRSA-N 2 1 266.429 2.408 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001033688454 809381293 /nfs/dbraw/zinc/38/12/93/809381293.db2.gz QQZPRBACWUCPQL-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001033688454 809381298 /nfs/dbraw/zinc/38/12/98/809381298.db2.gz QQZPRBACWUCPQL-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CN(CC[NH+]1CCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129172 815288589 /nfs/dbraw/zinc/28/85/89/815288589.db2.gz XNOMXZPTYGCFQA-MUJYYYPQSA-N 2 1 265.445 2.029 20 0 CEADMP CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033935228 809457914 /nfs/dbraw/zinc/45/79/14/809457914.db2.gz FDOFWYDEBXGHJY-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033935228 809457918 /nfs/dbraw/zinc/45/79/18/809457918.db2.gz FDOFWYDEBXGHJY-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033935228 809457922 /nfs/dbraw/zinc/45/79/22/809457922.db2.gz FDOFWYDEBXGHJY-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@H+]([C@H]1CCC2(C1)OCCO2)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131450 815290526 /nfs/dbraw/zinc/29/05/26/815290526.db2.gz XCBGAIYJQXSKQA-FZKCQIBNSA-N 2 1 294.439 2.229 20 0 CEADMP C[N@@H+]([C@H]1CCC2(C1)OCCO2)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131450 815290528 /nfs/dbraw/zinc/29/05/28/815290528.db2.gz XCBGAIYJQXSKQA-FZKCQIBNSA-N 2 1 294.439 2.229 20 0 CEADMP C[NH+]([C@H]1CCC2(C1)OCCO2)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131450 815290530 /nfs/dbraw/zinc/29/05/30/815290530.db2.gz XCBGAIYJQXSKQA-FZKCQIBNSA-N 2 1 294.439 2.229 20 0 CEADMP C[NH+]([C@H]1CCC2(C1)OCCO2)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131450 815290533 /nfs/dbraw/zinc/29/05/33/815290533.db2.gz XCBGAIYJQXSKQA-FZKCQIBNSA-N 2 1 294.439 2.229 20 0 CEADMP COC(=O)CC[N@H+](C1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130760 815290725 /nfs/dbraw/zinc/29/07/25/815290725.db2.gz RHCJVVXYKZFJEL-QDMKHBRRSA-N 2 1 280.412 2.029 20 0 CEADMP COC(=O)CC[N@@H+](C1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130760 815290730 /nfs/dbraw/zinc/29/07/30/815290730.db2.gz RHCJVVXYKZFJEL-QDMKHBRRSA-N 2 1 280.412 2.029 20 0 CEADMP COC(=O)CC[NH+](C1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130760 815290735 /nfs/dbraw/zinc/29/07/35/815290735.db2.gz RHCJVVXYKZFJEL-QDMKHBRRSA-N 2 1 280.412 2.029 20 0 CEADMP COC(=O)CC[NH+](C1CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130760 815290739 /nfs/dbraw/zinc/29/07/39/815290739.db2.gz RHCJVVXYKZFJEL-QDMKHBRRSA-N 2 1 280.412 2.029 20 0 CEADMP COC(=O)[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172132801 815290971 /nfs/dbraw/zinc/29/09/71/815290971.db2.gz OLCOCVRCBRKRRE-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172132801 815290975 /nfs/dbraw/zinc/29/09/75/815290975.db2.gz OLCOCVRCBRKRRE-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172132801 815290976 /nfs/dbraw/zinc/29/09/76/815290976.db2.gz OLCOCVRCBRKRRE-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172132801 815290981 /nfs/dbraw/zinc/29/09/81/815290981.db2.gz OLCOCVRCBRKRRE-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP C[N@H+]([C@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172132043 815291295 /nfs/dbraw/zinc/29/12/95/815291295.db2.gz JOMYKVRBRKKPSN-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+]([C@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172132043 815291300 /nfs/dbraw/zinc/29/13/00/815291300.db2.gz JOMYKVRBRKKPSN-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]([C@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172132043 815291304 /nfs/dbraw/zinc/29/13/04/815291304.db2.gz JOMYKVRBRKKPSN-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]([C@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172132043 815291307 /nfs/dbraw/zinc/29/13/07/815291307.db2.gz JOMYKVRBRKKPSN-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH2+]CCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702082638 809504298 /nfs/dbraw/zinc/50/42/98/809504298.db2.gz RGCCGPVCBLUQSI-MSOLQXFVSA-N 2 1 287.451 2.050 20 0 CEADMP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034129127 809526181 /nfs/dbraw/zinc/52/61/81/809526181.db2.gz AHPOLBPCMVYYTR-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034129127 809526184 /nfs/dbraw/zinc/52/61/84/809526184.db2.gz AHPOLBPCMVYYTR-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034129127 809526189 /nfs/dbraw/zinc/52/61/89/809526189.db2.gz AHPOLBPCMVYYTR-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)c1cccs1)C2 ZINC001172105466 815296151 /nfs/dbraw/zinc/29/61/51/815296151.db2.gz IHWXTRBVJPETAP-XJFOESAGSA-N 2 1 280.437 2.386 20 0 CEADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC001172108539 815298901 /nfs/dbraw/zinc/29/89/01/815298901.db2.gz XIVAWPMDTDKWHR-QDMKHBRRSA-N 2 1 275.396 2.195 20 0 CEADMP CCCC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034400927 809599808 /nfs/dbraw/zinc/59/98/08/809599808.db2.gz YSPZURZUBZWNIT-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001034400927 809599812 /nfs/dbraw/zinc/59/98/12/809599812.db2.gz YSPZURZUBZWNIT-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034400927 809599814 /nfs/dbraw/zinc/59/98/14/809599814.db2.gz YSPZURZUBZWNIT-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1cc(Cl)cc(N)[nH+]1 ZINC001162452084 809604936 /nfs/dbraw/zinc/60/49/36/809604936.db2.gz AMCDRRWOEOMVKW-UWVGGRQHSA-N 2 1 268.792 2.365 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CC[NH+](C3CCC3)C1)C2 ZINC001172115609 815303011 /nfs/dbraw/zinc/30/30/11/815303011.db2.gz TXOUOIVVUPBYPW-NXNVCVFFSA-N 2 1 277.456 2.218 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001172115609 815303016 /nfs/dbraw/zinc/30/30/16/815303016.db2.gz TXOUOIVVUPBYPW-NXNVCVFFSA-N 2 1 277.456 2.218 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001172115609 815303024 /nfs/dbraw/zinc/30/30/24/815303024.db2.gz TXOUOIVVUPBYPW-NXNVCVFFSA-N 2 1 277.456 2.218 20 0 CEADMP CC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034476323 809612862 /nfs/dbraw/zinc/61/28/62/809612862.db2.gz ZPSMCQNXXXHHBV-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(CCO)c1)C2 ZINC001172113272 815303743 /nfs/dbraw/zinc/30/37/43/815303743.db2.gz FWKNCTYBFCKEIE-NNZMDNLPSA-N 2 1 288.435 2.326 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(C[C@@H]3CCO)CC1)C2 ZINC001172115825 815306760 /nfs/dbraw/zinc/30/67/60/815306760.db2.gz AGAWUOPFWXQOML-NXOAAHMSSA-N 2 1 292.467 2.486 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCS1 ZINC000707337166 809896707 /nfs/dbraw/zinc/89/67/07/809896707.db2.gz HXZZQHHLPKTCQT-KGLIPLIRSA-N 2 1 256.459 2.450 20 0 CEADMP CC[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000708341958 809927382 /nfs/dbraw/zinc/92/73/82/809927382.db2.gz ONTBYTNKBWKQIM-SDKNFDLMSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cncnc1 ZINC000708544852 809945465 /nfs/dbraw/zinc/94/54/65/809945465.db2.gz TTWPLVWJDGKNKS-QAPCUYQASA-N 2 1 296.418 2.334 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cncnc1 ZINC000708544852 809945468 /nfs/dbraw/zinc/94/54/68/809945468.db2.gz TTWPLVWJDGKNKS-QAPCUYQASA-N 2 1 296.418 2.334 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@@H](OC3CCC3)C2)CCC[NH2+]C1 ZINC000709363205 809960486 /nfs/dbraw/zinc/96/04/86/809960486.db2.gz JGIQHEJKVXRSKB-HZPDHXFCSA-N 2 1 266.429 2.410 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1C(F)(F)F ZINC000709859238 809973149 /nfs/dbraw/zinc/97/31/49/809973149.db2.gz HWRCPNQYZOZLQX-IJLUTSLNSA-N 2 1 280.334 2.015 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC1CCC2(CC2)CC1)C1CC1 ZINC000709989803 809978267 /nfs/dbraw/zinc/97/82/67/809978267.db2.gz MNFWPOAXWGFRRA-HNNXBMFYSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1CCC2(CC2)CC1)C1CC1 ZINC000709989803 809978270 /nfs/dbraw/zinc/97/82/70/809978270.db2.gz MNFWPOAXWGFRRA-HNNXBMFYSA-N 2 1 266.429 2.002 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000710354037 809987173 /nfs/dbraw/zinc/98/71/73/809987173.db2.gz CNUBAGGPKKJFRJ-GFCCVEGCSA-N 2 1 253.415 2.452 20 0 CEADMP c1csc([C@@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000710440666 809988046 /nfs/dbraw/zinc/98/80/46/809988046.db2.gz JGBVTRGZKIXKGR-QWHCGFSZSA-N 2 1 265.426 2.322 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](c3nccs3)C2)CC[NH2+]1 ZINC000710480416 809989061 /nfs/dbraw/zinc/98/90/61/809989061.db2.gz FBDOOLSFURWPMD-FRRDWIJNSA-N 2 1 265.426 2.321 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000923371703 810089288 /nfs/dbraw/zinc/08/92/88/810089288.db2.gz ZKVAANYRKLWXLV-OLZOCXBDSA-N 2 1 288.794 2.476 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)C1CCCCC1 ZINC000923371653 810089385 /nfs/dbraw/zinc/08/93/85/810089385.db2.gz CVZUJXAQWSRSRI-ROUUACIJSA-N 2 1 290.451 2.477 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000923359163 810089597 /nfs/dbraw/zinc/08/95/97/810089597.db2.gz OFGIGHSOUSYKTO-KZNAEPCWSA-N 2 1 288.435 2.432 20 0 CEADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC001172243801 815355315 /nfs/dbraw/zinc/35/53/15/815355315.db2.gz SMGSAGUFOXWHME-UHFFFAOYSA-N 2 1 297.830 2.326 20 0 CEADMP COCCC[NH+]1CCC([NH2+]C2(CC3CC3)CC2)CC1 ZINC001172250392 815358918 /nfs/dbraw/zinc/35/89/18/815358918.db2.gz XLTJOWAYSIPKHI-UHFFFAOYSA-N 2 1 266.429 2.410 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCCC[C@H]2CCOC)CC1 ZINC001172255224 815359510 /nfs/dbraw/zinc/35/95/10/815359510.db2.gz KFNPDSANVXEYBS-INIZCTEOSA-N 2 1 298.471 2.378 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCCC[C@H]2CCOC)CC1 ZINC001172255224 815359517 /nfs/dbraw/zinc/35/95/17/815359517.db2.gz KFNPDSANVXEYBS-INIZCTEOSA-N 2 1 298.471 2.378 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](CF)C2)CC1 ZINC001172255026 815360125 /nfs/dbraw/zinc/36/01/25/815360125.db2.gz FXENMASUQRJQSA-CQSZACIVSA-N 2 1 272.408 2.169 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](CF)C2)CC1 ZINC001172255026 815360130 /nfs/dbraw/zinc/36/01/30/815360130.db2.gz FXENMASUQRJQSA-CQSZACIVSA-N 2 1 272.408 2.169 20 0 CEADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001015702818 810337096 /nfs/dbraw/zinc/33/70/96/810337096.db2.gz UKCZTBPRXCUCOI-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001015702818 810337102 /nfs/dbraw/zinc/33/71/02/810337102.db2.gz UKCZTBPRXCUCOI-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001015702818 810337105 /nfs/dbraw/zinc/33/71/05/810337105.db2.gz UKCZTBPRXCUCOI-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC001172315052 815367984 /nfs/dbraw/zinc/36/79/84/815367984.db2.gz AYPPSMZAUYKZGY-OLZOCXBDSA-N 2 1 253.390 2.375 20 0 CEADMP CC(=O)OCc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)o1 ZINC001206556730 810503438 /nfs/dbraw/zinc/50/34/38/810503438.db2.gz WELJFAQOFXAMNV-MRXNPFEDSA-N 2 1 294.395 2.294 20 0 CEADMP CC(=O)OCc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)o1 ZINC001206556730 810503443 /nfs/dbraw/zinc/50/34/43/810503443.db2.gz WELJFAQOFXAMNV-MRXNPFEDSA-N 2 1 294.395 2.294 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1)C1CC1 ZINC001120072298 810588922 /nfs/dbraw/zinc/58/89/22/810588922.db2.gz STEAQKHMZFRJAW-YHUYYLMFSA-N 2 1 266.429 2.074 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1)C1CC1 ZINC001120072296 810589149 /nfs/dbraw/zinc/58/91/49/810589149.db2.gz STEAQKHMZFRJAW-CAOSSQGBSA-N 2 1 266.429 2.074 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001258907049 810668074 /nfs/dbraw/zinc/66/80/74/810668074.db2.gz DLDXEFDOPSYDQS-RRFJBIMHSA-N 2 1 274.424 2.149 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C(C)C ZINC001085217475 810695978 /nfs/dbraw/zinc/69/59/78/810695978.db2.gz CIQTWLCZRWPHFM-BZUAXINKSA-N 2 1 295.471 2.286 20 0 CEADMP CCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001122242782 815395640 /nfs/dbraw/zinc/39/56/40/815395640.db2.gz PGKLWPVCXXAYCL-UHFFFAOYSA-N 2 1 295.471 2.144 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328484 811082148 /nfs/dbraw/zinc/08/21/48/811082148.db2.gz PWDHQJLIDOIESA-MRXNPFEDSA-N 2 1 297.487 2.250 20 0 CEADMP CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086414769 811135342 /nfs/dbraw/zinc/13/53/42/811135342.db2.gz IICZENREZIZMHR-JYJNAYRXSA-N 2 1 295.471 2.001 20 0 CEADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H](CC)CC(C)C ZINC001172389583 815425117 /nfs/dbraw/zinc/42/51/17/815425117.db2.gz NWSBLWCTUIMSCQ-STQMWFEESA-N 2 1 258.406 2.071 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1COc3ccccc3O1)C2 ZINC001169095713 811365157 /nfs/dbraw/zinc/36/51/57/811365157.db2.gz RWXCJDJGSMHFOK-XGUBFFRZSA-N 2 1 288.391 2.041 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1COc3ccccc3O1)C2 ZINC001169095713 811365172 /nfs/dbraw/zinc/36/51/72/811365172.db2.gz RWXCJDJGSMHFOK-XGUBFFRZSA-N 2 1 288.391 2.041 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H](O)c1ccccc1F)C2 ZINC001169100107 811374444 /nfs/dbraw/zinc/37/44/44/811374444.db2.gz GKYVLTQDKDSCBU-JFILPPLUSA-N 2 1 278.371 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H](O)c1ccccc1F)C2 ZINC001169100107 811374455 /nfs/dbraw/zinc/37/44/55/811374455.db2.gz GKYVLTQDKDSCBU-JFILPPLUSA-N 2 1 278.371 2.074 20 0 CEADMP CCOC(=O)CCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101354 811374517 /nfs/dbraw/zinc/37/45/17/811374517.db2.gz RWIMMDFHDCSNJT-QDMKHBRRSA-N 2 1 282.428 2.325 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1ncc3cccc(C[NH3+])c31)C2 ZINC001169101500 811374639 /nfs/dbraw/zinc/37/46/39/811374639.db2.gz SWSXZLDKEDJIQB-QDMKHBRRSA-N 2 1 270.380 2.293 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccc(N)cc3)CC1)C2 ZINC001169123021 811389327 /nfs/dbraw/zinc/38/93/27/811389327.db2.gz HOHTZSVXBSLWTG-PHZGNYQRSA-N 2 1 271.408 2.473 20 0 CEADMP CO[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169125226 811391602 /nfs/dbraw/zinc/39/16/02/811391602.db2.gz WRZHYIYSNMHALQ-ABWMFPBJSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](O)c1cccc(O)c1 ZINC001169107644 811401393 /nfs/dbraw/zinc/40/13/93/811401393.db2.gz ISYDBFZZWWNHDZ-LBYCQVNQSA-N 2 1 290.407 2.029 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+](C(C)(C)C)CC1)C2 ZINC001169141639 811408061 /nfs/dbraw/zinc/40/80/61/811408061.db2.gz RLFCHKTUYMJBPA-FICVDOATSA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2cnc3cccc(C)n23)CC1 ZINC001169220886 811436177 /nfs/dbraw/zinc/43/61/77/811436177.db2.gz XZASWIYPYPEZNQ-UHFFFAOYSA-N 2 1 272.396 2.217 20 0 CEADMP CC[NH+]1CCC([NH2+]C2(C3CCOCC3)CC2)CC1 ZINC001169224725 811437437 /nfs/dbraw/zinc/43/74/37/811437437.db2.gz MYBJQCYJISVYFT-UHFFFAOYSA-N 2 1 252.402 2.020 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](CO)Cc2ccc(Cl)cc2)CC1 ZINC001169224291 811438013 /nfs/dbraw/zinc/43/80/13/811438013.db2.gz HOFLUTVHHKHQEY-MRXNPFEDSA-N 2 1 296.842 2.317 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC001169262352 811451341 /nfs/dbraw/zinc/45/13/41/811451341.db2.gz ZALVLRCQPOWBKQ-MRXNPFEDSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC001169262352 811451344 /nfs/dbraw/zinc/45/13/44/811451344.db2.gz ZALVLRCQPOWBKQ-MRXNPFEDSA-N 2 1 282.428 2.136 20 0 CEADMP CC[NH+]1CCC([NH+]2CCC(c3ccn(C)n3)CC2)CC1 ZINC001169261911 811451657 /nfs/dbraw/zinc/45/16/57/811451657.db2.gz QSXRPEASYAFHRS-UHFFFAOYSA-N 2 1 276.428 2.084 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CCCN(c3cccnc3)CC2)CC1 ZINC001169263577 811451814 /nfs/dbraw/zinc/45/18/14/811451814.db2.gz BJIQGKLAKPHGSW-UHFFFAOYSA-N 2 1 288.439 2.078 20 0 CEADMP CC[NH+]1CCC([N@H+]2CCCN(c3cccnc3)CC2)CC1 ZINC001169263577 811451819 /nfs/dbraw/zinc/45/18/19/811451819.db2.gz BJIQGKLAKPHGSW-UHFFFAOYSA-N 2 1 288.439 2.078 20 0 CEADMP CCC(CC)[N@H+]1CC[C@H](NC2CC[NH+](CC)CC2)C1 ZINC001169238983 811456531 /nfs/dbraw/zinc/45/65/31/811456531.db2.gz OXOJRWPYUKMQIU-HNNXBMFYSA-N 2 1 267.461 2.323 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](NC(=O)C(C)C)CC2)CC1 ZINC001169240904 811458069 /nfs/dbraw/zinc/45/80/69/811458069.db2.gz NAZRTBGYLZWPMA-SHTZXODSSA-N 2 1 295.471 2.144 20 0 CEADMP CCN1CCC([N@H+](C)CCc2noc(C(C)C)n2)CC1 ZINC001169245403 811460963 /nfs/dbraw/zinc/46/09/63/811460963.db2.gz CTEIZJRWRCCDCR-UHFFFAOYSA-N 2 1 280.416 2.152 20 0 CEADMP CCN1CCC([N@@H+](C)CCc2noc(C(C)C)n2)CC1 ZINC001169245403 811460967 /nfs/dbraw/zinc/46/09/67/811460967.db2.gz CTEIZJRWRCCDCR-UHFFFAOYSA-N 2 1 280.416 2.152 20 0 CEADMP CC[NH+]1CCC([N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)CC1 ZINC001169255532 811466827 /nfs/dbraw/zinc/46/68/27/811466827.db2.gz QWSNWRLGUGDGHJ-VNQPRFMTSA-N 2 1 266.429 2.218 20 0 CEADMP CC[NH+]1CCC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)CC1 ZINC001169255532 811466830 /nfs/dbraw/zinc/46/68/30/811466830.db2.gz QWSNWRLGUGDGHJ-VNQPRFMTSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC(=O)C[C@H]1CC[N@@H+](C2CC[NH+](CC)CC2)C[C@@H]1C ZINC001169267941 811475225 /nfs/dbraw/zinc/47/52/25/811475225.db2.gz CQIBQVASMMDIBO-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)C[C@H]1CC[N@H+](C2CC[NH+](CC)CC2)C[C@@H]1C ZINC001169267941 811475230 /nfs/dbraw/zinc/47/52/30/811475230.db2.gz CQIBQVASMMDIBO-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC001206011489 811508880 /nfs/dbraw/zinc/50/88/80/811508880.db2.gz CQWCEKVOPXMPTL-DZGCQCFKSA-N 2 1 277.412 2.287 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1N ZINC001206011794 811512092 /nfs/dbraw/zinc/51/20/92/811512092.db2.gz GOTHFIYAJPVIKZ-OLZOCXBDSA-N 2 1 277.412 2.084 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1N ZINC001206011795 811512356 /nfs/dbraw/zinc/51/23/56/811512356.db2.gz GOTHFIYAJPVIKZ-QWHCGFSZSA-N 2 1 277.412 2.084 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001169449171 811515243 /nfs/dbraw/zinc/51/52/43/811515243.db2.gz PCVSWGLUJKRMFT-YHUYYLMFSA-N 2 1 295.471 2.238 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001169449171 811515251 /nfs/dbraw/zinc/51/52/51/811515251.db2.gz PCVSWGLUJKRMFT-YHUYYLMFSA-N 2 1 295.471 2.238 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001169455863 811518137 /nfs/dbraw/zinc/51/81/37/811518137.db2.gz DTNSJXIJGBJTAA-HRCADAONSA-N 2 1 297.487 2.342 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(C)n1 ZINC001206013764 811584294 /nfs/dbraw/zinc/58/42/94/811584294.db2.gz UFRCFMUNFUJWCB-GXTWGEPZSA-N 2 1 277.412 2.205 20 0 CEADMP C[C@H]1C[N@H+](Cc2cc(O)c(F)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001206013229 811587217 /nfs/dbraw/zinc/58/72/17/811587217.db2.gz QQKZLLRVDXMXRS-CMPLNLGQSA-N 2 1 284.350 2.477 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(O)c(F)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001206013229 811587225 /nfs/dbraw/zinc/58/72/25/811587225.db2.gz QQKZLLRVDXMXRS-CMPLNLGQSA-N 2 1 284.350 2.477 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2ccc3ccccc3n2)CC[C@@H]1F ZINC001206165883 815460124 /nfs/dbraw/zinc/46/01/24/815460124.db2.gz PQLTUOKUACBEMS-GJZGRUSLSA-N 2 1 273.355 2.496 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3ccccc3n2)CC[C@@H]1F ZINC001206165883 815460126 /nfs/dbraw/zinc/46/01/26/815460126.db2.gz PQLTUOKUACBEMS-GJZGRUSLSA-N 2 1 273.355 2.496 20 0 CEADMP Cc1ccc2c(NC[C@H]3COCC[N@H+]3C)cc[nH+]c2c1 ZINC001169661053 811612194 /nfs/dbraw/zinc/61/21/94/811612194.db2.gz SKTLFQQKFQLDLW-ZDUSSCGKSA-N 2 1 271.364 2.286 20 0 CEADMP Cc1ccc2c(NC[C@H]3COCC[N@@H+]3C)cc[nH+]c2c1 ZINC001169661053 811612197 /nfs/dbraw/zinc/61/21/97/811612197.db2.gz SKTLFQQKFQLDLW-ZDUSSCGKSA-N 2 1 271.364 2.286 20 0 CEADMP C[N@@H+](CCO)CCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172555767 815460973 /nfs/dbraw/zinc/46/09/73/815460973.db2.gz IXVMHMHYAMNGIZ-SJORKVTESA-N 2 1 276.424 2.227 20 0 CEADMP CCOC(=O)N1CCC[C@H]([N@@H+](CC)CCC[NH+](C)C)CC1 ZINC001169709218 811635268 /nfs/dbraw/zinc/63/52/68/811635268.db2.gz HOHWYDLFMJVWHU-HNNXBMFYSA-N 2 1 299.459 2.271 20 0 CEADMP Cc1c(F)cccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206165549 815464890 /nfs/dbraw/zinc/46/48/90/815464890.db2.gz NZSMCFWJWUKUJW-ZIAGYGMSSA-N 2 1 254.324 2.395 20 0 CEADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169907574 811708514 /nfs/dbraw/zinc/70/85/14/811708514.db2.gz PQZNUXHVMKJLSE-OAHLLOKOSA-N 2 1 284.444 2.384 20 0 CEADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169907574 811708518 /nfs/dbraw/zinc/70/85/18/811708518.db2.gz PQZNUXHVMKJLSE-OAHLLOKOSA-N 2 1 284.444 2.384 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(O)cc(F)c2)CCC[C@H]1C[NH3+] ZINC001206024377 811711792 /nfs/dbraw/zinc/71/17/92/811711792.db2.gz JDMOSWLGQSUOHQ-AAEUAGOBSA-N 2 1 266.360 2.338 20 0 CEADMP CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046317136 811736525 /nfs/dbraw/zinc/73/65/25/811736525.db2.gz SGGWWTIECUSIAG-DOTOQJQBSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046317136 811736530 /nfs/dbraw/zinc/73/65/30/811736530.db2.gz SGGWWTIECUSIAG-DOTOQJQBSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046317136 811736533 /nfs/dbraw/zinc/73/65/33/811736533.db2.gz SGGWWTIECUSIAG-DOTOQJQBSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169988495 811843542 /nfs/dbraw/zinc/84/35/42/811843542.db2.gz XSJLDDDYLIEQTG-OCCSQVGLSA-N 2 1 283.460 2.327 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169988495 811843549 /nfs/dbraw/zinc/84/35/49/811843549.db2.gz XSJLDDDYLIEQTG-OCCSQVGLSA-N 2 1 283.460 2.327 20 0 CEADMP C[NH+]1CCC([NH2+]C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172641057 815480285 /nfs/dbraw/zinc/48/02/85/815480285.db2.gz RRHUXUPLAQWPCF-UHFFFAOYSA-N 2 1 254.418 2.406 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)C3CC3)CC2)C1 ZINC001172623244 815486211 /nfs/dbraw/zinc/48/62/11/815486211.db2.gz ODLFQYHJAOPKAD-XJKSGUPXSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)C1 ZINC001172623244 815486214 /nfs/dbraw/zinc/48/62/14/815486214.db2.gz ODLFQYHJAOPKAD-XJKSGUPXSA-N 2 1 294.439 2.277 20 0 CEADMP Cn1ccc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)ccc21 ZINC001206174774 815492848 /nfs/dbraw/zinc/49/28/48/815492848.db2.gz PJRZLGCOEMJDFK-LSDHHAIUSA-N 2 1 275.371 2.440 20 0 CEADMP Cn1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)ccc21 ZINC001206174774 815492850 /nfs/dbraw/zinc/49/28/50/815492850.db2.gz PJRZLGCOEMJDFK-LSDHHAIUSA-N 2 1 275.371 2.440 20 0 CEADMP Cc1cc(O)cc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206174794 815492922 /nfs/dbraw/zinc/49/29/22/815492922.db2.gz PNHULRVRAVQOPS-LSDHHAIUSA-N 2 1 266.360 2.270 20 0 CEADMP Cc1cc(O)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206174794 815492926 /nfs/dbraw/zinc/49/29/26/815492926.db2.gz PNHULRVRAVQOPS-LSDHHAIUSA-N 2 1 266.360 2.270 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172715135 815505281 /nfs/dbraw/zinc/50/52/81/815505281.db2.gz FRDNVUALHKYUQT-HZMBPMFUSA-N 2 1 252.789 2.334 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC001172770877 815515044 /nfs/dbraw/zinc/51/50/44/815515044.db2.gz HGBBOLQTVMHSLN-FEWQNLEASA-N 2 1 282.428 2.310 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCO[C@@H](CC)C3)C[C@@H]2C1 ZINC001170239370 812352630 /nfs/dbraw/zinc/35/26/30/812352630.db2.gz MNEKPNMYPTUJOD-QXSJWSMHSA-N 2 1 266.429 2.218 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCO[C@@H](CC)C3)C[C@@H]2C1 ZINC001170239370 812352638 /nfs/dbraw/zinc/35/26/38/812352638.db2.gz MNEKPNMYPTUJOD-QXSJWSMHSA-N 2 1 266.429 2.218 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCO[C@@H](CC)C3)C[C@@H]2C1 ZINC001170239370 812352648 /nfs/dbraw/zinc/35/26/48/812352648.db2.gz MNEKPNMYPTUJOD-QXSJWSMHSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H](Cc1ccccc1Cl)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001170254367 812372656 /nfs/dbraw/zinc/37/26/56/812372656.db2.gz HHNBTNDMIBIYSN-WCQYABFASA-N 2 1 293.798 2.202 20 0 CEADMP CCOc1cncc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206574613 812442614 /nfs/dbraw/zinc/44/26/14/812442614.db2.gz SJUVYAAACBILNC-INIZCTEOSA-N 2 1 277.412 2.431 20 0 CEADMP CCOc1cncc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206574613 812442619 /nfs/dbraw/zinc/44/26/19/812442619.db2.gz SJUVYAAACBILNC-INIZCTEOSA-N 2 1 277.412 2.431 20 0 CEADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1(C[NH3+])CC1 ZINC001172865547 815534629 /nfs/dbraw/zinc/53/46/29/815534629.db2.gz OMVLGOUYCAMJEQ-SECBINFHSA-N 2 1 256.752 2.491 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001170565776 812683430 /nfs/dbraw/zinc/68/34/30/812683430.db2.gz XJTISODZVYGVRY-HUUCEWRRSA-N 2 1 294.439 2.278 20 0 CEADMP CC[C@H](C)C[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815527 812735597 /nfs/dbraw/zinc/73/55/97/812735597.db2.gz HVUMRDXUQMDEQS-HNNXBMFYSA-N 2 1 297.487 2.393 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CC(C)C)C1 ZINC001132153025 812791741 /nfs/dbraw/zinc/79/17/41/812791741.db2.gz MILYSUPESDTZNO-GJZGRUSLSA-N 2 1 297.487 2.342 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(C)C)C1 ZINC001132153025 812791748 /nfs/dbraw/zinc/79/17/48/812791748.db2.gz MILYSUPESDTZNO-GJZGRUSLSA-N 2 1 297.487 2.342 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(C)C)C1 ZINC001132153025 812791752 /nfs/dbraw/zinc/79/17/52/812791752.db2.gz MILYSUPESDTZNO-GJZGRUSLSA-N 2 1 297.487 2.342 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC)CC1 ZINC001050331357 812807429 /nfs/dbraw/zinc/80/74/29/812807429.db2.gz JYDGGPPZEVNMJI-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC2CC2)C1 ZINC001132411436 812846636 /nfs/dbraw/zinc/84/66/36/812846636.db2.gz ZKBUCJLOVYSZFZ-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132411436 812846642 /nfs/dbraw/zinc/84/66/42/812846642.db2.gz ZKBUCJLOVYSZFZ-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2CC2)C1 ZINC001132411436 812846650 /nfs/dbraw/zinc/84/66/50/812846650.db2.gz ZKBUCJLOVYSZFZ-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC(C)C)C1 ZINC001132442048 812856916 /nfs/dbraw/zinc/85/69/16/812856916.db2.gz WAUXGXPJEXMEPQ-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC(C)C)C1 ZINC001132442048 812856922 /nfs/dbraw/zinc/85/69/22/812856922.db2.gz WAUXGXPJEXMEPQ-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC(C)C)C1 ZINC001132442048 812856930 /nfs/dbraw/zinc/85/69/30/812856930.db2.gz WAUXGXPJEXMEPQ-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]CC(CC)CC)C1 ZINC001132739849 812935506 /nfs/dbraw/zinc/93/55/06/812935506.db2.gz WPCONKSSYJAMOW-INIZCTEOSA-N 2 1 297.487 2.250 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172957328 815565072 /nfs/dbraw/zinc/56/50/72/815565072.db2.gz HNTVAUXZOGCPII-CHWSQXEVSA-N 2 1 287.448 2.159 20 0 CEADMP CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133121333 812996143 /nfs/dbraw/zinc/99/61/43/812996143.db2.gz GRZZTFIQYCKTID-GJZGRUSLSA-N 2 1 297.487 2.058 20 0 CEADMP CC[C@H]1CCCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000384810079 813076157 /nfs/dbraw/zinc/07/61/57/813076157.db2.gz PVKIZHFDNMBVIT-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP CC[C@H]1CCCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000384810079 813076167 /nfs/dbraw/zinc/07/61/67/813076167.db2.gz PVKIZHFDNMBVIT-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP COCC[N@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000384410292 813119614 /nfs/dbraw/zinc/11/96/14/813119614.db2.gz KSVJEPRZJIGGFJ-CVEARBPZSA-N 2 1 262.397 2.262 20 0 CEADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCc3ncsc3C2)CC1 ZINC001173138895 815598849 /nfs/dbraw/zinc/59/88/49/815598849.db2.gz TZFOCHVRMQVBNC-ZDUSSCGKSA-N 2 1 279.453 2.417 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCc3ncsc3C2)CC1 ZINC001173138895 815598852 /nfs/dbraw/zinc/59/88/52/815598852.db2.gz TZFOCHVRMQVBNC-ZDUSSCGKSA-N 2 1 279.453 2.417 20 0 CEADMP c1ccc2ncc(C[NH2+]CCC[NH2+]C3CC3)cc2c1 ZINC000388831370 813244494 /nfs/dbraw/zinc/24/44/94/813244494.db2.gz VLXQGYUJASMHRO-UHFFFAOYSA-N 2 1 255.365 2.467 20 0 CEADMP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(F)F ZINC000389947993 813258097 /nfs/dbraw/zinc/25/80/97/813258097.db2.gz RJKADBPTRUIDGO-SNVBAGLBSA-N 2 1 255.312 2.294 20 0 CEADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000390280899 813262299 /nfs/dbraw/zinc/26/22/99/813262299.db2.gz VEYSGWKSVBKJDR-GOEBONIOSA-N 2 1 262.397 2.120 20 0 CEADMP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135006893 813351440 /nfs/dbraw/zinc/35/14/40/813351440.db2.gz ACOBUCZTHFDRBQ-KBPBESRZSA-N 2 1 294.443 2.255 20 0 CEADMP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477102 813446425 /nfs/dbraw/zinc/44/64/25/813446425.db2.gz QTNWHRCLGOHNAY-LSDHHAIUSA-N 2 1 297.487 2.391 20 0 CEADMP CC[NH+](CC)[C@H](CNC1=[NH+]CCCN1C)c1ccccc1 ZINC000395093382 813481064 /nfs/dbraw/zinc/48/10/64/813481064.db2.gz AXJYWMQEBUJUMA-MRXNPFEDSA-N 2 1 288.439 2.351 20 0 CEADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170862889 813558997 /nfs/dbraw/zinc/55/89/97/813558997.db2.gz PRALPTVYZDRSII-SQWLQELKSA-N 2 1 295.471 2.001 20 0 CEADMP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995155 813582249 /nfs/dbraw/zinc/58/22/49/813582249.db2.gz ACAGNMLEGRFLPR-GJZGRUSLSA-N 2 1 285.476 2.391 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CC1 ZINC001135995651 813583292 /nfs/dbraw/zinc/58/32/92/813583292.db2.gz JCSLYRXGTOXBEO-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP [NH3+]CCc1c[nH+]cn1[C@@H]1CCc2cccc(F)c2C1 ZINC001170948333 813673205 /nfs/dbraw/zinc/67/32/05/813673205.db2.gz FWRQENWTMSISBR-GFCCVEGCSA-N 2 1 259.328 2.253 20 0 CEADMP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246190637 813725308 /nfs/dbraw/zinc/72/53/08/813725308.db2.gz QNENLWXAXSHSGH-WFASDCNBSA-N 2 1 250.361 2.488 20 0 CEADMP CCCCCC1CCC([NH2+][C@]2(CO)CC[NH2+]C2)CC1 ZINC001246285422 813761832 /nfs/dbraw/zinc/76/18/32/813761832.db2.gz DIRFYUVMRGFJCK-UYSNPLJNSA-N 2 1 268.445 2.440 20 0 CEADMP C[C@]1([NH3+])CC[N@@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001246527576 813900330 /nfs/dbraw/zinc/90/03/30/813900330.db2.gz GZMXTVONZBNVFJ-PMPSAXMXSA-N 2 1 260.381 2.330 20 0 CEADMP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111464158 813973735 /nfs/dbraw/zinc/97/37/35/813973735.db2.gz JVMYJLYQPZYOKL-OAGGEKHMSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111464158 813973738 /nfs/dbraw/zinc/97/37/38/813973738.db2.gz JVMYJLYQPZYOKL-OAGGEKHMSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111464158 813973740 /nfs/dbraw/zinc/97/37/40/813973740.db2.gz JVMYJLYQPZYOKL-OAGGEKHMSA-N 2 1 295.471 2.094 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc4cc[nH]c4n3)C2)C1 ZINC001144185948 813988178 /nfs/dbraw/zinc/98/81/78/813988178.db2.gz MKOWQLYXVFDHDG-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4cc[nH]c4n3)C2)C1 ZINC001144185948 813988182 /nfs/dbraw/zinc/98/81/82/813988182.db2.gz MKOWQLYXVFDHDG-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4cc[nH]c4n3)C2)C1 ZINC001144185948 813988186 /nfs/dbraw/zinc/98/81/86/813988186.db2.gz MKOWQLYXVFDHDG-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP [NH3+]C[C@]1(F)CCC[N@H+](C2CCC3(COC3)CC2)CC1 ZINC001246548272 813992543 /nfs/dbraw/zinc/99/25/43/813992543.db2.gz KASCYQKVFNMZSN-HNNXBMFYSA-N 2 1 270.392 2.099 20 0 CEADMP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099214918 813995753 /nfs/dbraw/zinc/99/57/53/813995753.db2.gz NRWJXVFAKWEIIL-HNNXBMFYSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001099299294 813998486 /nfs/dbraw/zinc/99/84/86/813998486.db2.gz SBZHMOFAQFVQKQ-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001099299294 813998491 /nfs/dbraw/zinc/99/84/91/813998491.db2.gz SBZHMOFAQFVQKQ-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099299294 813998496 /nfs/dbraw/zinc/99/84/96/813998496.db2.gz SBZHMOFAQFVQKQ-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246550349 814002977 /nfs/dbraw/zinc/00/29/77/814002977.db2.gz OELATIJHORIGBK-OFQRWUPVSA-N 3 1 285.451 2.306 20 0 CEADMP CCOC(=O)N1CCC[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246550001 814003238 /nfs/dbraw/zinc/00/32/38/814003238.db2.gz IXJWTNLFUCTFNZ-GDBMZVCRSA-N 2 1 297.443 2.201 20 0 CEADMP COc1cccc(C[C@@H](C)[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001246550423 814003862 /nfs/dbraw/zinc/00/38/62/814003862.db2.gz XWIKCCHPSDSJCB-UKRRQHHQSA-N 2 1 262.397 2.439 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)C1 ZINC001246559119 814041649 /nfs/dbraw/zinc/04/16/49/814041649.db2.gz ONBYZVUGHJBZKM-YJNKXOJESA-N 2 1 282.428 2.025 20 0 CEADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246561835 814049336 /nfs/dbraw/zinc/04/93/36/814049336.db2.gz GPUBFWWPWKGFOL-DGADGQDISA-N 3 1 267.461 2.355 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246561835 814049341 /nfs/dbraw/zinc/04/93/41/814049341.db2.gz GPUBFWWPWKGFOL-DGADGQDISA-N 3 1 267.461 2.355 20 0 CEADMP CC[C@@H](C)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100410983 814109010 /nfs/dbraw/zinc/10/90/10/814109010.db2.gz XWMQFUDDZHKCPC-WLYUNCDWSA-N 2 1 295.471 2.001 20 0 CEADMP c1[nH+]c(CN2CC[C@H]([NH+]3CCCC3)C2)c2ccccn12 ZINC001144622246 814132444 /nfs/dbraw/zinc/13/24/44/814132444.db2.gz HKJFIGCMTOVWMS-AWEZNQCLSA-N 2 1 270.380 2.004 20 0 CEADMP c1[nH+]c(CN2CCC[N@@H+]3CCC[C@H]3C2)c2ccccn12 ZINC001144622205 814132576 /nfs/dbraw/zinc/13/25/76/814132576.db2.gz GHXMUEHLPBAFJU-AWEZNQCLSA-N 2 1 270.380 2.004 20 0 CEADMP c1[nH+]c(CN2CCC[N@H+]3CCC[C@H]3C2)c2ccccn12 ZINC001144622205 814132579 /nfs/dbraw/zinc/13/25/79/814132579.db2.gz GHXMUEHLPBAFJU-AWEZNQCLSA-N 2 1 270.380 2.004 20 0 CEADMP [NH3+]C[C@H]1CCCC[N@H+]([C@H]2Cc3cccc(F)c3C2)C1 ZINC001246582557 814159247 /nfs/dbraw/zinc/15/92/47/814159247.db2.gz NTKHDMMPMSKIEM-OCCSQVGLSA-N 2 1 262.372 2.354 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246587232 814173607 /nfs/dbraw/zinc/17/36/07/814173607.db2.gz WDFKBIMRQTUYOX-ZACQAIPSSA-N 3 1 279.472 2.360 20 0 CEADMP C[C@]1(CN)CCCC[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246587232 814173611 /nfs/dbraw/zinc/17/36/11/814173611.db2.gz WDFKBIMRQTUYOX-ZACQAIPSSA-N 2 1 279.472 2.360 20 0 CEADMP C[C@]1(CN)CCCC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001246587232 814173613 /nfs/dbraw/zinc/17/36/13/814173613.db2.gz WDFKBIMRQTUYOX-ZACQAIPSSA-N 2 1 279.472 2.360 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171227310 814193285 /nfs/dbraw/zinc/19/32/85/814193285.db2.gz NNVPLDLPXUESNO-JKSUJKDBSA-N 2 1 297.487 2.106 20 0 CEADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246601514 814200608 /nfs/dbraw/zinc/20/06/08/814200608.db2.gz JRJHZOZBIPINSO-HZPDHXFCSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]23CCC[NH2+]CC3)C[C@H](C)[NH2+]1 ZINC001246607990 814208175 /nfs/dbraw/zinc/20/81/75/814208175.db2.gz SDVGAELRQCXUKX-QKPAOTATSA-N 3 1 265.445 2.124 20 0 CEADMP CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@H](C)CC[NH2+]C ZINC001246679001 814253077 /nfs/dbraw/zinc/25/30/77/814253077.db2.gz QMSVQYFMZKGCHF-OAHLLOKOSA-N 2 1 292.423 2.440 20 0 CEADMP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146603005 814300255 /nfs/dbraw/zinc/30/02/55/814300255.db2.gz VGTLOMUGGUCDPU-LSDHHAIUSA-N 2 1 285.476 2.246 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246902437 814357113 /nfs/dbraw/zinc/35/71/13/814357113.db2.gz LGGJMBTZCNNRMY-RDBSUJKOSA-N 2 1 282.428 2.181 20 0 CEADMP CC[C@H](C)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292525 814376403 /nfs/dbraw/zinc/37/64/03/814376403.db2.gz RGTSEZDRQKOEBE-ARFHVFGLSA-N 2 1 297.487 2.058 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(C)C)C[C@H]1C ZINC001102523874 814394470 /nfs/dbraw/zinc/39/44/70/814394470.db2.gz PPVCJMMMCZROOZ-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C ZINC001102523874 814394478 /nfs/dbraw/zinc/39/44/78/814394478.db2.gz PPVCJMMMCZROOZ-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001102523874 814394485 /nfs/dbraw/zinc/39/44/85/814394485.db2.gz PPVCJMMMCZROOZ-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)[C@@H](CC)CO1 ZINC000697035798 814644888 /nfs/dbraw/zinc/64/48/88/814644888.db2.gz WDPYKXGHSNMOQG-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)[C@@H](CC)CO1 ZINC000697035798 814644890 /nfs/dbraw/zinc/64/48/90/814644890.db2.gz WDPYKXGHSNMOQG-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](CC[NH2+]Cc1ccc(C(C)(C)O)cc1)[NH+](C)C ZINC000697908120 814654115 /nfs/dbraw/zinc/65/41/15/814654115.db2.gz IRQCBSMBDXQJKP-ZDUSSCGKSA-N 2 1 264.413 2.344 20 0 CEADMP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(F)F ZINC000698592781 814658278 /nfs/dbraw/zinc/65/82/78/814658278.db2.gz PUZMYUWZQSLTFL-MRXNPFEDSA-N 2 1 298.377 2.257 20 0 CEADMP CC[NH+](CC)C1CCC([NH2+]C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001173104708 815581406 /nfs/dbraw/zinc/58/14/06/815581406.db2.gz LJTFQDCKENBBEY-FHERZECASA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)C1CCC([NH2+]C[C@@H]2CCN(C)C2)CC1 ZINC001173104708 815581413 /nfs/dbraw/zinc/58/14/13/815581413.db2.gz LJTFQDCKENBBEY-FHERZECASA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3ncsc3C2)CC1 ZINC001173120070 815585635 /nfs/dbraw/zinc/58/56/35/815585635.db2.gz CKMVSAYUPOSQDJ-GFCCVEGCSA-N 2 1 265.426 2.074 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712416948 814744831 /nfs/dbraw/zinc/74/48/31/814744831.db2.gz PGHAPVYXDWCNBJ-MJBXVCDLSA-N 2 1 252.402 2.147 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]2COC)CC1 ZINC001173116995 815586048 /nfs/dbraw/zinc/58/60/48/815586048.db2.gz HYFJFXCNNYAEBH-NRXISQOPSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC000712449823 814747814 /nfs/dbraw/zinc/74/78/14/814747814.db2.gz GJRVVARMJWKGFO-ZIAGYGMSSA-N 2 1 254.418 2.393 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000712451421 814748980 /nfs/dbraw/zinc/74/89/80/814748980.db2.gz KXNHCAGGPVOCLZ-KBPBESRZSA-N 2 1 252.402 2.291 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CC[NH2+]CCC2(C)C)cc1 ZINC000712579293 814753076 /nfs/dbraw/zinc/75/30/76/814753076.db2.gz ZDKZQIBTORRBJD-UHFFFAOYSA-N 2 1 262.397 2.448 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[NH2+]CCC2(C)C)cc1 ZINC000712579293 814753082 /nfs/dbraw/zinc/75/30/82/814753082.db2.gz ZDKZQIBTORRBJD-UHFFFAOYSA-N 2 1 262.397 2.448 20 0 CEADMP FC(F)(F)OCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000713413158 814851417 /nfs/dbraw/zinc/85/14/17/814851417.db2.gz ZMRWPWCVSQTKHD-NWDGAFQWSA-N 2 1 280.334 2.377 20 0 CEADMP FC(F)(F)OCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000713413158 814851426 /nfs/dbraw/zinc/85/14/26/814851426.db2.gz ZMRWPWCVSQTKHD-NWDGAFQWSA-N 2 1 280.334 2.377 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C1(CO)CCCCCCC1 ZINC000713503421 814860868 /nfs/dbraw/zinc/86/08/68/814860868.db2.gz IRQHBJXNDJUIFX-UHFFFAOYSA-N 2 1 265.401 2.257 20 0 CEADMP Cn1ncc(Cl)c1C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714393208 814903488 /nfs/dbraw/zinc/90/34/88/814903488.db2.gz YMXYQSYVSNBJOD-UHFFFAOYSA-N 2 1 284.835 2.270 20 0 CEADMP CC[N@H+]1CC[C@H](N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC001173358285 815699032 /nfs/dbraw/zinc/69/90/32/815699032.db2.gz ZGHMDOLRHQWJAJ-KRWDZBQOSA-N 2 1 275.440 2.144 20 0 CEADMP CCCCCC[NH+]1CCN([C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001173365429 815703598 /nfs/dbraw/zinc/70/35/98/815703598.db2.gz HSXVPIPQZGZOIX-MRXNPFEDSA-N 2 1 267.461 2.279 20 0 CEADMP CC[N@H+]1CC[C@H](N(c2cc[nH+]cc2C)C2CC[NH2+]CC2)C1 ZINC001173371128 815708394 /nfs/dbraw/zinc/70/83/94/815708394.db2.gz FLNASTVZNSCURK-INIZCTEOSA-N 3 1 288.439 2.043 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2c(Cl)[nH]c3cnccc32)CC[C@H]1F ZINC001206199713 815713294 /nfs/dbraw/zinc/71/32/94/815713294.db2.gz PFCPHLQCCRMQNP-VXGBXAGGSA-N 2 1 296.777 2.478 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2c(Cl)[nH]c3cnccc32)CC[C@H]1F ZINC001206199713 815713300 /nfs/dbraw/zinc/71/33/00/815713300.db2.gz PFCPHLQCCRMQNP-VXGBXAGGSA-N 2 1 296.777 2.478 20 0 CEADMP CSc1ncc(C)cc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206209087 815791944 /nfs/dbraw/zinc/79/19/44/815791944.db2.gz BCIFNHLBXWYYOI-OLZOCXBDSA-N 2 1 283.416 2.373 20 0 CEADMP CSc1ncc(C)cc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206209087 815791947 /nfs/dbraw/zinc/79/19/47/815791947.db2.gz BCIFNHLBXWYYOI-OLZOCXBDSA-N 2 1 283.416 2.373 20 0 CEADMP COc1c(F)cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1F ZINC001138423721 815796805 /nfs/dbraw/zinc/79/68/05/815796805.db2.gz UREJMWNAAJFRNT-OLZOCXBDSA-N 2 1 296.361 2.357 20 0 CEADMP CCCc1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)s1 ZINC001138526280 815820274 /nfs/dbraw/zinc/82/02/74/815820274.db2.gz SGKBGTLKWDDKMN-UHFFFAOYSA-N 2 1 295.496 2.380 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)cc1 ZINC001138543773 815823017 /nfs/dbraw/zinc/82/30/17/815823017.db2.gz ULRHXZBCHNAZQN-JKSUJKDBSA-N 2 1 289.354 2.085 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H](F)[C@H](O)C2)cc1 ZINC001138543773 815823026 /nfs/dbraw/zinc/82/30/26/815823026.db2.gz ULRHXZBCHNAZQN-JKSUJKDBSA-N 2 1 289.354 2.085 20 0 CEADMP Cc1cccc(OC[C@@H](O)C[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000226393441 816061210 /nfs/dbraw/zinc/06/12/10/816061210.db2.gz FOWSVSZKESKWAG-INIZCTEOSA-N 2 1 294.439 2.055 20 0 CEADMP C[NH+](C)CCN1CC[NH+](Cc2ccccc2C(F)F)CC1 ZINC001139795674 816114713 /nfs/dbraw/zinc/11/47/13/816114713.db2.gz HIYPVHIYBXBTCW-UHFFFAOYSA-N 2 1 297.393 2.303 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175296426 816161932 /nfs/dbraw/zinc/16/19/32/816161932.db2.gz ONCRKULFTMCEEN-CQSZACIVSA-N 2 1 285.476 2.249 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(O)c(C)c3)C[C@@H]2C1 ZINC001140576133 816288086 /nfs/dbraw/zinc/28/80/86/816288086.db2.gz LWLLMRBFBRRSAL-HOTGVXAUSA-N 2 1 274.408 2.474 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCN(Cc2cnc3cc[nH]cc2-3)C1 ZINC001140805957 816365538 /nfs/dbraw/zinc/36/55/38/816365538.db2.gz QZCWRADMYMOQEO-AWEZNQCLSA-N 2 1 272.396 2.477 20 0 CEADMP CC(C)[N@H+](C)[C@H]1CCN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805957 816365562 /nfs/dbraw/zinc/36/55/62/816365562.db2.gz QZCWRADMYMOQEO-AWEZNQCLSA-N 2 1 272.396 2.477 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805957 816365570 /nfs/dbraw/zinc/36/55/70/816365570.db2.gz QZCWRADMYMOQEO-AWEZNQCLSA-N 2 1 272.396 2.477 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCC(C)(C)C ZINC001176986448 816503587 /nfs/dbraw/zinc/50/35/87/816503587.db2.gz OPKOQSYCIJPILQ-HNNXBMFYSA-N 2 1 297.487 2.393 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206305235 816578361 /nfs/dbraw/zinc/57/83/61/816578361.db2.gz WVHHMWSXJZHSMV-AWEZNQCLSA-N 2 1 251.374 2.242 20 0 CEADMP COc1ccncc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206311621 816652079 /nfs/dbraw/zinc/65/20/79/816652079.db2.gz RNOPNNGRNTVLEV-HNNXBMFYSA-N 2 1 263.385 2.041 20 0 CEADMP CCOc1cncc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206325718 816720534 /nfs/dbraw/zinc/72/05/34/816720534.db2.gz HXESZDBFXGNMPG-INIZCTEOSA-N 2 1 277.412 2.431 20 0 CEADMP COc1cnc(F)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206325779 816721228 /nfs/dbraw/zinc/72/12/28/816721228.db2.gz JTTXQYLFNAXJKR-OAHLLOKOSA-N 2 1 281.375 2.180 20 0 CEADMP CCOc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccn1 ZINC001206337961 816774412 /nfs/dbraw/zinc/77/44/12/816774412.db2.gz XHDMBFBKBBGFSI-MRXNPFEDSA-N 2 1 277.412 2.431 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC ZINC001178634421 816774979 /nfs/dbraw/zinc/77/49/79/816774979.db2.gz UQAQCWCKSJQMGY-HNNXBMFYSA-N 2 1 283.460 2.147 20 0 CEADMP CC(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001179554157 816877723 /nfs/dbraw/zinc/87/77/23/816877723.db2.gz SAMXLTWQZBOPQI-GJZGRUSLSA-N 2 1 297.487 2.199 20 0 CEADMP CCOC(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OCC ZINC000124437191 187137058 /nfs/dbraw/zinc/13/70/58/187137058.db2.gz WCVYCKHAUJPBEA-OAHLLOKOSA-N 2 1 284.444 2.193 20 0 CEADMP CCOC(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OCC ZINC000124437191 187137059 /nfs/dbraw/zinc/13/70/59/187137059.db2.gz WCVYCKHAUJPBEA-OAHLLOKOSA-N 2 1 284.444 2.193 20 0 CEADMP COCC1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000449084613 282094099 /nfs/dbraw/zinc/09/40/99/282094099.db2.gz YIUQNDVVNDSCTH-SSHXOBKSSA-N 2 1 266.429 2.408 20 0 CEADMP COCC1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000449084613 282094102 /nfs/dbraw/zinc/09/41/02/282094102.db2.gz YIUQNDVVNDSCTH-SSHXOBKSSA-N 2 1 266.429 2.408 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000337466851 214100457 /nfs/dbraw/zinc/10/04/57/214100457.db2.gz MEKOXDUKRQVSBP-IKGGRYGDSA-N 2 1 298.471 2.282 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000337466851 214100459 /nfs/dbraw/zinc/10/04/59/214100459.db2.gz MEKOXDUKRQVSBP-IKGGRYGDSA-N 2 1 298.471 2.282 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH2+]CCC ZINC000449110517 282103639 /nfs/dbraw/zinc/10/36/39/282103639.db2.gz DOYNSVMGCOVVKK-GJZGRUSLSA-N 2 1 283.460 2.145 20 0 CEADMP CCc1cc(OC)ccc1C[NH+]1C[C@H]2C[NH+](C)C[C@@H]2C1 ZINC000337500779 214125034 /nfs/dbraw/zinc/12/50/34/214125034.db2.gz LLNAJYDQIYPLRK-HZPDHXFCSA-N 2 1 274.408 2.251 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCO2 ZINC000127750821 187331332 /nfs/dbraw/zinc/33/13/32/187331332.db2.gz PGLXYMSTQVDNMK-UONOGXRCSA-N 2 1 274.364 2.132 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCO2 ZINC000127750821 187331333 /nfs/dbraw/zinc/33/13/33/187331333.db2.gz PGLXYMSTQVDNMK-UONOGXRCSA-N 2 1 274.364 2.132 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2OC(F)F)CC1 ZINC000337528594 214140682 /nfs/dbraw/zinc/14/06/82/214140682.db2.gz BYLTZBAOMZKMLT-NEPJUHHUSA-N 2 1 262.344 2.221 20 0 CEADMP CCn1nnc(C)c1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000449144926 282117925 /nfs/dbraw/zinc/11/79/25/282117925.db2.gz VKAQZSILZAXFNU-CQSZACIVSA-N 2 1 281.448 2.062 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]CCC(=O)N2CCCCC2)c2ccccc21 ZINC000123738049 365641600 /nfs/dbraw/zinc/64/16/00/365641600.db2.gz WYNGHSNTOBLCEM-CVEARBPZSA-N 2 1 287.407 2.123 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccncc1F ZINC000449162880 282127050 /nfs/dbraw/zinc/12/70/50/282127050.db2.gz KJTIDZTUDFRXNX-UHFFFAOYSA-N 2 1 262.332 2.296 20 0 CEADMP COCC1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000449174744 282130992 /nfs/dbraw/zinc/13/09/92/282130992.db2.gz QASKQWYRTABEPJ-URGYJCLVSA-N 2 1 254.418 2.264 20 0 CEADMP COCC1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000449174744 282130993 /nfs/dbraw/zinc/13/09/93/282130993.db2.gz QASKQWYRTABEPJ-URGYJCLVSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000125268731 187176849 /nfs/dbraw/zinc/17/68/49/187176849.db2.gz GHJDVWWQUUGVIC-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000036864741 361866053 /nfs/dbraw/zinc/86/60/53/361866053.db2.gz SJZLSQOUIRSQEU-UHFFFAOYSA-N 2 1 264.417 2.238 20 0 CEADMP CCC[NH+]1CCC(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000036908341 361870228 /nfs/dbraw/zinc/87/02/28/361870228.db2.gz MLEMMVFFPMSULZ-OFQRWUPVSA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000037619177 361912792 /nfs/dbraw/zinc/91/27/92/361912792.db2.gz UJHASCKJDJBXRG-MRXNPFEDSA-N 2 1 291.439 2.142 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000037644077 361915382 /nfs/dbraw/zinc/91/53/82/361915382.db2.gz FEAYZQUOHJWNJR-QWHCGFSZSA-N 2 1 276.380 2.408 20 0 CEADMP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCCn2cc[nH+]c2C)C1(C)C ZINC000338013337 214359604 /nfs/dbraw/zinc/35/96/04/214359604.db2.gz SYTAAMKQTYBIPB-FPMFFAJLSA-N 2 1 265.401 2.231 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1 ZINC000567707001 299079570 /nfs/dbraw/zinc/07/95/70/299079570.db2.gz GOZYCHBHPZUPLR-INIZCTEOSA-N 2 1 289.423 2.479 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1 ZINC000567707001 299079572 /nfs/dbraw/zinc/07/95/72/299079572.db2.gz GOZYCHBHPZUPLR-INIZCTEOSA-N 2 1 289.423 2.479 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCOC3(CCC3)C2)CCCO1 ZINC000449283798 282170926 /nfs/dbraw/zinc/17/09/26/282170926.db2.gz MPPAJWAXBNYCOM-JKSUJKDBSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC(C)(C)O1 ZINC000123954037 539179782 /nfs/dbraw/zinc/17/97/82/539179782.db2.gz ABNRAQUBDGHWTP-ZDUSSCGKSA-N 2 1 274.408 2.332 20 0 CEADMP OCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000123273400 539174145 /nfs/dbraw/zinc/17/41/45/539174145.db2.gz SNYOJJQYHNDVDG-HUUCEWRRSA-N 2 1 266.429 2.146 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)s1 ZINC000090408990 539186384 /nfs/dbraw/zinc/18/63/84/539186384.db2.gz UOBFCZKCKGKLIB-CMPLNLGQSA-N 2 1 253.415 2.444 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000090408990 539186385 /nfs/dbraw/zinc/18/63/85/539186385.db2.gz UOBFCZKCKGKLIB-CMPLNLGQSA-N 2 1 253.415 2.444 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)nc2)[C@H](C)C1 ZINC000130500328 539205735 /nfs/dbraw/zinc/20/57/35/539205735.db2.gz QRIGHFVRMSLVEL-GDBMZVCRSA-N 2 1 290.455 2.310 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)nc2)[C@H](C)C1 ZINC000130500328 539205736 /nfs/dbraw/zinc/20/57/36/539205736.db2.gz QRIGHFVRMSLVEL-GDBMZVCRSA-N 2 1 290.455 2.310 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)nc2)[C@H](C)C1 ZINC000130500328 539205738 /nfs/dbraw/zinc/20/57/38/539205738.db2.gz QRIGHFVRMSLVEL-GDBMZVCRSA-N 2 1 290.455 2.310 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)nc2)[C@H](C)C1 ZINC000130500328 539205739 /nfs/dbraw/zinc/20/57/39/539205739.db2.gz QRIGHFVRMSLVEL-GDBMZVCRSA-N 2 1 290.455 2.310 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccn1 ZINC000621776816 349698916 /nfs/dbraw/zinc/69/89/16/349698916.db2.gz XCKCKWSVVMHYIF-GVDBMIGSSA-N 2 1 289.423 2.108 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000305012148 539210900 /nfs/dbraw/zinc/21/09/00/539210900.db2.gz RHBBKCWZHMYKEI-BZSNNMDCSA-N 2 1 288.435 2.211 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000305012148 539210901 /nfs/dbraw/zinc/21/09/01/539210901.db2.gz RHBBKCWZHMYKEI-BZSNNMDCSA-N 2 1 288.435 2.211 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCCOCc1ccccc1)C2 ZINC000621784150 349702365 /nfs/dbraw/zinc/70/23/65/349702365.db2.gz KQUNZISGLOPTDW-SJORKVTESA-N 2 1 274.408 2.407 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357065298 529544394 /nfs/dbraw/zinc/54/43/94/529544394.db2.gz AEKWXMYHWPJAIO-HOTGVXAUSA-N 2 1 274.408 2.169 20 0 CEADMP COc1nc(C)cc(C)c1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000621774360 349697130 /nfs/dbraw/zinc/69/71/30/349697130.db2.gz RNPFLXZRZZTPFJ-UHFFFAOYSA-N 2 1 277.412 2.138 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2(CO)CCCCC2)CC[N@H+]1C ZINC000123274545 539228455 /nfs/dbraw/zinc/22/84/55/539228455.db2.gz XYGLYNUUWDGTTK-KBPBESRZSA-N 2 1 254.418 2.002 20 0 CEADMP CCc1nn(C)cc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000092365250 539231392 /nfs/dbraw/zinc/23/13/92/539231392.db2.gz NKVBAFYKVVWEEA-CQSZACIVSA-N 2 1 278.444 2.337 20 0 CEADMP CCc1nn(C)cc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000092365250 539231393 /nfs/dbraw/zinc/23/13/93/539231393.db2.gz NKVBAFYKVVWEEA-CQSZACIVSA-N 2 1 278.444 2.337 20 0 CEADMP COC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC000126070143 187215390 /nfs/dbraw/zinc/21/53/90/187215390.db2.gz JMXZADSUEANEHQ-GJZGRUSLSA-N 2 1 254.418 2.121 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1cc(-n3ccnc3)cs1)C2 ZINC000622004568 349764805 /nfs/dbraw/zinc/76/48/05/349764805.db2.gz QPICJSOXUOVFSD-DOMZBBRYSA-N 2 1 288.420 2.247 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1cc(-n3ccnc3)cs1)C2 ZINC000622004568 349764806 /nfs/dbraw/zinc/76/48/06/349764806.db2.gz QPICJSOXUOVFSD-DOMZBBRYSA-N 2 1 288.420 2.247 20 0 CEADMP OCC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000080246575 539259867 /nfs/dbraw/zinc/25/98/67/539259867.db2.gz OFYLCSRITSJAEP-UHFFFAOYSA-N 2 1 274.408 2.013 20 0 CEADMP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H](O)C(C)C ZINC000414518434 529637752 /nfs/dbraw/zinc/63/77/52/529637752.db2.gz BFMMOSVBXGQHAX-JSGCOSHPSA-N 2 1 285.457 2.090 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC1CCCC1 ZINC000371294297 282214691 /nfs/dbraw/zinc/21/46/91/282214691.db2.gz JUQRZKAWYUUGDM-OAGGEKHMSA-N 2 1 266.429 2.360 20 0 CEADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2ccccn2)CC1 ZINC000677988894 539280727 /nfs/dbraw/zinc/28/07/27/539280727.db2.gz NFCKMCGDIKECDN-UHFFFAOYSA-N 2 1 270.380 2.466 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000311378880 539283424 /nfs/dbraw/zinc/28/34/24/539283424.db2.gz WUCQJVCUXWSNIB-SDDRHHMPSA-N 2 1 282.350 2.416 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000126351113 187234865 /nfs/dbraw/zinc/23/48/65/187234865.db2.gz XXDSOAWQHLKGJH-IUODEOHRSA-N 2 1 263.385 2.100 20 0 CEADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000042341525 362085339 /nfs/dbraw/zinc/08/53/39/362085339.db2.gz NBTZACRQLKCNJK-CABCVRRESA-N 2 1 262.397 2.102 20 0 CEADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000043326934 362143937 /nfs/dbraw/zinc/14/39/37/362143937.db2.gz FGQXDNCMOPSETP-OUAUKWLOSA-N 2 1 250.308 2.449 20 0 CEADMP C[C@H](CC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000227717415 539314405 /nfs/dbraw/zinc/31/44/05/539314405.db2.gz WMXFYFRTQWSEDW-IJEWVQPXSA-N 2 1 262.397 2.228 20 0 CEADMP C[C@H](CC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000227717415 539314407 /nfs/dbraw/zinc/31/44/07/539314407.db2.gz WMXFYFRTQWSEDW-IJEWVQPXSA-N 2 1 262.397 2.228 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000044517735 343473361 /nfs/dbraw/zinc/47/33/61/343473361.db2.gz PYINTLCKJXBIIT-SQWLQELKSA-N 3 1 267.461 2.037 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)CC1 ZINC000044517735 343473364 /nfs/dbraw/zinc/47/33/64/343473364.db2.gz PYINTLCKJXBIIT-SQWLQELKSA-N 2 1 267.461 2.037 20 0 CEADMP O[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4nccn43)CC[C@H]2C1 ZINC000449557792 282282480 /nfs/dbraw/zinc/28/24/80/282282480.db2.gz VFBABGSLPDPWNP-OFQRWUPVSA-N 2 1 285.391 2.317 20 0 CEADMP Cc1cnn(CC[N@@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000336719530 365781569 /nfs/dbraw/zinc/78/15/69/365781569.db2.gz SQBRBRRIDADCEG-UHFFFAOYSA-N 2 1 272.396 2.043 20 0 CEADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351473611 219098367 /nfs/dbraw/zinc/09/83/67/219098367.db2.gz DMSGNBPXZJLZQR-BEAPCOKYSA-N 2 1 298.390 2.467 20 0 CEADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351473611 219098368 /nfs/dbraw/zinc/09/83/68/219098368.db2.gz DMSGNBPXZJLZQR-BEAPCOKYSA-N 2 1 298.390 2.467 20 0 CEADMP CC[NH+](CC)[C@@H](C)CNc1cc[nH+]cc1Br ZINC000336778287 365797480 /nfs/dbraw/zinc/79/74/80/365797480.db2.gz KYQDAKSHHOZWKA-JTQLQIEISA-N 2 1 286.217 2.408 20 0 CEADMP COC[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295075891 199332125 /nfs/dbraw/zinc/33/21/25/199332125.db2.gz RKRYAGCRJSKNIB-KCBNDJSGSA-N 2 1 288.435 2.459 20 0 CEADMP CC(C)[NH+](CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)C(C)C ZINC000081117557 344039967 /nfs/dbraw/zinc/03/99/67/344039967.db2.gz YUXBHFVCPJJFMX-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP COC[C@H](C)[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000072662224 343808862 /nfs/dbraw/zinc/80/88/62/343808862.db2.gz WZKKVCVHYNQNLU-ZDUSSCGKSA-N 2 1 263.385 2.301 20 0 CEADMP CC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000075677021 343862449 /nfs/dbraw/zinc/86/24/49/343862449.db2.gz DYSXHGRELCXMDP-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP C[C@@H]1CCC[N@H+](CCCCNc2cc[nH+]c(N(C)C)n2)C1 ZINC000077190152 343910091 /nfs/dbraw/zinc/91/00/91/343910091.db2.gz OWIHZSWWWGBYQF-CQSZACIVSA-N 2 1 291.443 2.467 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNc2cc[nH+]c(N(C)C)n2)C1 ZINC000077190152 343910092 /nfs/dbraw/zinc/91/00/92/343910092.db2.gz OWIHZSWWWGBYQF-CQSZACIVSA-N 2 1 291.443 2.467 20 0 CEADMP C[N@H+](CC(=O)Nc1ccc2c(c1)C[NH2+]C2)Cc1ccccc1 ZINC000449674929 282325890 /nfs/dbraw/zinc/32/58/90/282325890.db2.gz XPPAWVMNBMOJQU-UHFFFAOYSA-N 2 1 295.386 2.360 20 0 CEADMP C[N@@H+](CC(=O)Nc1ccc2c(c1)C[NH2+]C2)Cc1ccccc1 ZINC000449674929 282325892 /nfs/dbraw/zinc/32/58/92/282325892.db2.gz XPPAWVMNBMOJQU-UHFFFAOYSA-N 2 1 295.386 2.360 20 0 CEADMP Clc1cccnc1OCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090408277 344139194 /nfs/dbraw/zinc/13/91/94/344139194.db2.gz BIZHDIBFXLFZQN-QWHCGFSZSA-N 2 1 295.814 2.330 20 0 CEADMP CN(C)[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000093209946 344216500 /nfs/dbraw/zinc/21/65/00/344216500.db2.gz FSEMMRHAEZBUNQ-HRCADAONSA-N 2 1 261.413 2.149 20 0 CEADMP Cn1cc(C[NH2+]C2CC[NH+](C)CC2)c(-c2cccs2)n1 ZINC000093946515 344233031 /nfs/dbraw/zinc/23/30/31/344233031.db2.gz MWGYNCXYRMYVKZ-UHFFFAOYSA-N 2 1 290.436 2.332 20 0 CEADMP CCCC[N@H+](C)CCNc1cncc(-n2cc[nH+]c2C)n1 ZINC000092897621 344206252 /nfs/dbraw/zinc/20/62/52/344206252.db2.gz OSYBUZRTAMLGEA-UHFFFAOYSA-N 2 1 288.399 2.115 20 0 CEADMP CCCC[N@@H+](C)CCNc1cncc(-n2cc[nH+]c2C)n1 ZINC000092897621 344206253 /nfs/dbraw/zinc/20/62/53/344206253.db2.gz OSYBUZRTAMLGEA-UHFFFAOYSA-N 2 1 288.399 2.115 20 0 CEADMP Fc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000107580308 344261051 /nfs/dbraw/zinc/26/10/51/344261051.db2.gz UCCXTKTYLSJZOJ-STQMWFEESA-N 2 1 271.339 2.025 20 0 CEADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000351593766 219137294 /nfs/dbraw/zinc/13/72/94/219137294.db2.gz OTPOCPNHPBVOGR-KBMXLJTQSA-N 2 1 268.445 2.390 20 0 CEADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351593766 219137297 /nfs/dbraw/zinc/13/72/97/219137297.db2.gz OTPOCPNHPBVOGR-KBMXLJTQSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000132931466 344366532 /nfs/dbraw/zinc/36/65/32/344366532.db2.gz NPZKHWRHLMNDIS-BMFZPTHFSA-N 2 1 289.423 2.066 20 0 CEADMP C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC[C@@H]1CCCO1 ZINC000152585466 344426525 /nfs/dbraw/zinc/42/65/25/344426525.db2.gz GUBNLSWQZNTHPM-IRXDYDNUSA-N 2 1 296.455 2.132 20 0 CEADMP C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC[C@@H]1CCCO1 ZINC000152585466 344426526 /nfs/dbraw/zinc/42/65/26/344426526.db2.gz GUBNLSWQZNTHPM-IRXDYDNUSA-N 2 1 296.455 2.132 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000144736835 344408262 /nfs/dbraw/zinc/40/82/62/344408262.db2.gz WKNVREDYWNSKOT-UHFFFAOYSA-N 2 1 287.363 2.158 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000157429829 344446928 /nfs/dbraw/zinc/44/69/28/344446928.db2.gz LMEFQXJEJSWZIP-SJORKVTESA-N 2 1 273.424 2.453 20 0 CEADMP CC[N@@H+](CCNC(=O)CC[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000226397428 344549521 /nfs/dbraw/zinc/54/95/21/344549521.db2.gz AWKLSSIPQJZYEW-MRXNPFEDSA-N 2 1 289.423 2.067 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000229404734 344567271 /nfs/dbraw/zinc/56/72/71/344567271.db2.gz GLPDIQOKDKKDKQ-HNNXBMFYSA-N 2 1 295.471 2.132 20 0 CEADMP COC(=O)c1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)[nH]c1C ZINC000602501523 347058585 /nfs/dbraw/zinc/05/85/85/347058585.db2.gz HYQXUALRNDXMGL-UHFFFAOYSA-N 2 1 293.411 2.072 20 0 CEADMP COCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000449740947 282348358 /nfs/dbraw/zinc/34/83/58/282348358.db2.gz IFGWPYZXDHNQKN-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245644392 344611883 /nfs/dbraw/zinc/61/18/83/344611883.db2.gz FGZBAEQQATXSPJ-XPCVCDNBSA-N 2 1 265.401 2.373 20 0 CEADMP Cc1cc(F)ccc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000237111001 344599228 /nfs/dbraw/zinc/59/92/28/344599228.db2.gz VSQLWJMQCLTYPR-UHFFFAOYSA-N 2 1 293.430 2.251 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000250342342 344632584 /nfs/dbraw/zinc/63/25/84/344632584.db2.gz PYINTLCKJXBIIT-IJEWVQPXSA-N 3 1 267.461 2.037 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)CC1 ZINC000250342342 344632586 /nfs/dbraw/zinc/63/25/86/344632586.db2.gz PYINTLCKJXBIIT-IJEWVQPXSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000308635988 344728170 /nfs/dbraw/zinc/72/81/70/344728170.db2.gz PWZKASHIIWSKSP-UONOGXRCSA-N 2 1 254.418 2.002 20 0 CEADMP CCc1nc2ccccc2n1C[C@H](O)C[N@@H+](C)C(C)C ZINC000312663263 344739888 /nfs/dbraw/zinc/73/98/88/344739888.db2.gz ASEGYQBQMGMYED-CYBMUJFWSA-N 2 1 275.396 2.300 20 0 CEADMP Cc1csc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)n1 ZINC000314250585 344745125 /nfs/dbraw/zinc/74/51/25/344745125.db2.gz ZDXKWSHHUJBUOL-NSHDSACASA-N 2 1 264.398 2.468 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C(=O)OC)cs2)C1 ZINC000602526484 347067079 /nfs/dbraw/zinc/06/70/79/347067079.db2.gz JZINEHOEZSJBSM-LBPRGKRZSA-N 2 1 296.436 2.356 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C(=O)OC)cs2)C1 ZINC000602526484 347067084 /nfs/dbraw/zinc/06/70/84/347067084.db2.gz JZINEHOEZSJBSM-LBPRGKRZSA-N 2 1 296.436 2.356 20 0 CEADMP C[C@H](O)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000305876995 344711152 /nfs/dbraw/zinc/71/11/52/344711152.db2.gz RTMKDOKDMLPUFN-LEUOFYLZSA-N 2 1 288.435 2.258 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccncn2)CC1 ZINC000411823275 530062848 /nfs/dbraw/zinc/06/28/48/530062848.db2.gz CPRMTZLBYXJPBI-HNNXBMFYSA-N 2 1 274.412 2.140 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449782260 282365623 /nfs/dbraw/zinc/36/56/23/282365623.db2.gz KMGALMNIZXPTRM-CQSZACIVSA-N 2 1 264.417 2.126 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449782260 282365625 /nfs/dbraw/zinc/36/56/25/282365625.db2.gz KMGALMNIZXPTRM-CQSZACIVSA-N 2 1 264.417 2.126 20 0 CEADMP C[NH+](C)Cc1cnc(CNCC[N@@H+]2CCCC2(C)C)s1 ZINC000449783346 282366331 /nfs/dbraw/zinc/36/63/31/282366331.db2.gz OKFWGNWBRQNKBE-UHFFFAOYSA-N 2 1 296.484 2.169 20 0 CEADMP C[NH+](C)Cc1cnc(CNCC[N@H+]2CCCC2(C)C)s1 ZINC000449783346 282366333 /nfs/dbraw/zinc/36/63/33/282366333.db2.gz OKFWGNWBRQNKBE-UHFFFAOYSA-N 2 1 296.484 2.169 20 0 CEADMP CCOc1ccccc1C[NH2+]CCc1c[nH+]cn1C ZINC000401751865 344869606 /nfs/dbraw/zinc/86/96/06/344869606.db2.gz YEPBNNVNDUUNOL-UHFFFAOYSA-N 2 1 259.353 2.151 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc2cccnc21 ZINC000401787322 344869663 /nfs/dbraw/zinc/86/96/63/344869663.db2.gz DYLQFNCSBPBBEV-UHFFFAOYSA-N 2 1 266.348 2.301 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000404375646 344880239 /nfs/dbraw/zinc/88/02/39/344880239.db2.gz KSPDWABLGAHLPV-CZUORRHYSA-N 2 1 290.407 2.423 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000568164940 299118236 /nfs/dbraw/zinc/11/82/36/299118236.db2.gz DFMUVRDRXQBLSO-ZNMIVQPWSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000568164940 299118239 /nfs/dbraw/zinc/11/82/39/299118239.db2.gz DFMUVRDRXQBLSO-ZNMIVQPWSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000568164940 299118242 /nfs/dbraw/zinc/11/82/42/299118242.db2.gz DFMUVRDRXQBLSO-ZNMIVQPWSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000568164940 299118244 /nfs/dbraw/zinc/11/82/44/299118244.db2.gz DFMUVRDRXQBLSO-ZNMIVQPWSA-N 2 1 256.434 2.200 20 0 CEADMP C[NH+](CC1CCC1)CC1(C[N@@H+](C)CC2CCC2)COC1 ZINC000182164722 282391869 /nfs/dbraw/zinc/39/18/69/282391869.db2.gz JNYBHTOWMAQVJL-UHFFFAOYSA-N 2 1 280.456 2.467 20 0 CEADMP CCSCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593729436 345528560 /nfs/dbraw/zinc/52/85/60/345528560.db2.gz DYZDLERHEVLMIW-BFHYXJOUSA-N 2 1 272.458 2.100 20 0 CEADMP C[C@H]1OCC[N@@H+](CCCCC[NH+]2CCO[C@@H](C)[C@@H]2C)[C@@H]1C ZINC000246948554 539480721 /nfs/dbraw/zinc/48/07/21/539480721.db2.gz NVLZNECMNXBIHR-WNKDZCFJSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@H]1OCC[NH+](CCCCC[N@@H+]2CCO[C@@H](C)[C@@H]2C)[C@@H]1C ZINC000246948554 539480727 /nfs/dbraw/zinc/48/07/27/539480727.db2.gz NVLZNECMNXBIHR-WNKDZCFJSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@H]1OCC[NH+](CCCCC[N@H+]2CCO[C@@H](C)[C@@H]2C)[C@@H]1C ZINC000246948554 539480733 /nfs/dbraw/zinc/48/07/33/539480733.db2.gz NVLZNECMNXBIHR-WNKDZCFJSA-N 2 1 298.471 2.375 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000594925133 345704404 /nfs/dbraw/zinc/70/44/04/345704404.db2.gz LCSOFYGTXJTORO-LCGIIJARSA-N 2 1 296.455 2.284 20 0 CEADMP C[C@@H](CSCCF)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000595053098 345735465 /nfs/dbraw/zinc/73/54/65/345735465.db2.gz ZQCAVFBZIXQFTF-UONOGXRCSA-N 2 1 292.464 2.168 20 0 CEADMP C[C@@H](CSCCF)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000595053098 345735468 /nfs/dbraw/zinc/73/54/68/345735468.db2.gz ZQCAVFBZIXQFTF-UONOGXRCSA-N 2 1 292.464 2.168 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CC1 ZINC000595312855 345760900 /nfs/dbraw/zinc/76/09/00/345760900.db2.gz NSLPECXZHXNNNU-ZJPYXAASSA-N 2 1 291.483 2.134 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000156942258 232238614 /nfs/dbraw/zinc/23/86/14/232238614.db2.gz XDKPNLFQXFLBOG-ZBFHGGJFSA-N 2 1 262.397 2.133 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cs1 ZINC000595891366 345907769 /nfs/dbraw/zinc/90/77/69/345907769.db2.gz CTFNEAFQRISKIJ-WZRBSPASSA-N 2 1 296.436 2.340 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cs1 ZINC000595891366 345907772 /nfs/dbraw/zinc/90/77/72/345907772.db2.gz CTFNEAFQRISKIJ-WZRBSPASSA-N 2 1 296.436 2.340 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cs1 ZINC000595896199 345909589 /nfs/dbraw/zinc/90/95/89/345909589.db2.gz IWVCIQOAYLMSCF-DGCLKSJQSA-N 2 1 296.436 2.484 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cs1 ZINC000595896199 345909594 /nfs/dbraw/zinc/90/95/94/345909594.db2.gz IWVCIQOAYLMSCF-DGCLKSJQSA-N 2 1 296.436 2.484 20 0 CEADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC[NH+](C)CC1 ZINC000598973673 346439938 /nfs/dbraw/zinc/43/99/38/346439938.db2.gz GEOGPZUZIHOHKF-AWEZNQCLSA-N 3 1 299.528 2.276 20 0 CEADMP CSC1(C[NH2+][C@H]2CCN(C)C(C)(C)C2)CC[NH+](C)CC1 ZINC000598973673 346439941 /nfs/dbraw/zinc/43/99/41/346439941.db2.gz GEOGPZUZIHOHKF-AWEZNQCLSA-N 2 1 299.528 2.276 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598981436 346441595 /nfs/dbraw/zinc/44/15/95/346441595.db2.gz PTKWKPSQLJRLML-CHWSQXEVSA-N 2 1 284.444 2.427 20 0 CEADMP C[C@H](O)CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000336793028 365815034 /nfs/dbraw/zinc/81/50/34/365815034.db2.gz VDRNQMBKUYDJLW-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1(C(=O)OC)CCC1 ZINC000599071667 346455736 /nfs/dbraw/zinc/45/57/36/346455736.db2.gz SDUTUXPZWBVQAB-HUUCEWRRSA-N 2 1 296.455 2.430 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nccs1 ZINC000063133755 362751481 /nfs/dbraw/zinc/75/14/81/362751481.db2.gz KKAUKDKJMFXJFT-IJLUTSLNSA-N 2 1 253.415 2.004 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000336799561 365826332 /nfs/dbraw/zinc/82/63/32/365826332.db2.gz JBIYUCQJBRXTQH-OAGGEKHMSA-N 3 1 267.461 2.275 20 0 CEADMP CC[NH+]1CC[C@H](N(C)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000336799561 365826335 /nfs/dbraw/zinc/82/63/35/365826335.db2.gz JBIYUCQJBRXTQH-OAGGEKHMSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CC[C@H](N(C)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC000336799561 365826339 /nfs/dbraw/zinc/82/63/39/365826339.db2.gz JBIYUCQJBRXTQH-OAGGEKHMSA-N 2 1 267.461 2.275 20 0 CEADMP COCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000336796793 365821421 /nfs/dbraw/zinc/82/14/21/365821421.db2.gz VWSULBNZDWQRPZ-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000336799289 365826651 /nfs/dbraw/zinc/82/66/51/365826651.db2.gz ICKCODMCPBVJPP-HZPDHXFCSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000336799289 365826652 /nfs/dbraw/zinc/82/66/52/365826652.db2.gz ICKCODMCPBVJPP-HZPDHXFCSA-N 2 1 266.429 2.077 20 0 CEADMP CC(C)[NH+]1CCC(N(C)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000336800999 365831094 /nfs/dbraw/zinc/83/10/94/365831094.db2.gz OMYYXLMLSZSBQG-HNNXBMFYSA-N 3 1 267.461 2.275 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@](C)(O)c3ccccc3)CC[C@H]21 ZINC000129159019 365831467 /nfs/dbraw/zinc/83/14/67/365831467.db2.gz ORUKBSRMDUBWCA-NXHRZFHOSA-N 2 1 288.435 2.310 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@](C)(O)c3ccccc3)CC[C@H]21 ZINC000129159019 365831474 /nfs/dbraw/zinc/83/14/74/365831474.db2.gz ORUKBSRMDUBWCA-NXHRZFHOSA-N 2 1 288.435 2.310 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CCCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000599690763 346568276 /nfs/dbraw/zinc/56/82/76/346568276.db2.gz LJAOVWTYDBSSMY-BTTYYORXSA-N 2 1 293.411 2.015 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)[N@H+](CCCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000599690763 346568281 /nfs/dbraw/zinc/56/82/81/346568281.db2.gz LJAOVWTYDBSSMY-BTTYYORXSA-N 2 1 293.411 2.015 20 0 CEADMP COC(=O)CCCC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000600711236 346675946 /nfs/dbraw/zinc/67/59/46/346675946.db2.gz RXEFXCWPIMBGCS-ZIAGYGMSSA-N 2 1 270.417 2.169 20 0 CEADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000602678658 347140047 /nfs/dbraw/zinc/14/00/47/347140047.db2.gz MYHFKBKKBIVTGG-XQLPTFJDSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602678658 347140051 /nfs/dbraw/zinc/14/00/51/347140051.db2.gz MYHFKBKKBIVTGG-XQLPTFJDSA-N 2 1 282.428 2.181 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000129578261 365874128 /nfs/dbraw/zinc/87/41/28/365874128.db2.gz FXVZKHITELFQSO-UXLLHSPISA-N 2 1 273.424 2.195 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000129578261 365874134 /nfs/dbraw/zinc/87/41/34/365874134.db2.gz FXVZKHITELFQSO-UXLLHSPISA-N 2 1 273.424 2.195 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000602721737 347170660 /nfs/dbraw/zinc/17/06/60/347170660.db2.gz KHHIYHGJUVTSFV-HGTKMLMNSA-N 2 1 282.428 2.181 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602721737 347170663 /nfs/dbraw/zinc/17/06/63/347170663.db2.gz KHHIYHGJUVTSFV-HGTKMLMNSA-N 2 1 282.428 2.181 20 0 CEADMP CCOC(=O)C(CC)(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602732812 347177154 /nfs/dbraw/zinc/17/71/54/347177154.db2.gz KYATYMIIKXUVKP-UONOGXRCSA-N 2 1 284.444 2.428 20 0 CEADMP CCOC(=O)C(CC)(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602732814 347177233 /nfs/dbraw/zinc/17/72/33/347177233.db2.gz KYATYMIIKXUVKP-ZIAGYGMSSA-N 2 1 284.444 2.428 20 0 CEADMP CC[C@H](C(=O)OC)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109445 347288994 /nfs/dbraw/zinc/28/89/94/347288994.db2.gz BCQQIWKRXDVFGI-CQSZACIVSA-N 2 1 270.417 2.136 20 0 CEADMP CC[C@H](C(=O)OC)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109445 347288996 /nfs/dbraw/zinc/28/89/96/347288996.db2.gz BCQQIWKRXDVFGI-CQSZACIVSA-N 2 1 270.417 2.136 20 0 CEADMP CCC[C@@H](C(=O)N(CC)C[C@H]1CCC[N@H+]1CC)[NH+](C)C ZINC000568344532 299138685 /nfs/dbraw/zinc/13/86/85/299138685.db2.gz UGOAMOBMHLEBOL-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP Cc1nccn1CC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000336824109 365880795 /nfs/dbraw/zinc/88/07/95/365880795.db2.gz STFYOCAIWKXVQZ-GJZGRUSLSA-N 2 1 295.452 2.178 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000336824109 365880800 /nfs/dbraw/zinc/88/08/00/365880800.db2.gz STFYOCAIWKXVQZ-GJZGRUSLSA-N 2 1 295.452 2.178 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000129651117 365882981 /nfs/dbraw/zinc/88/29/81/365882981.db2.gz NUCWACGMCDCUNY-ZFWWWQNUSA-N 2 1 290.407 2.073 20 0 CEADMP O[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000568518503 299142576 /nfs/dbraw/zinc/14/25/76/299142576.db2.gz FDFSKMZMTWSPDE-YESZJQIVSA-N 2 1 280.456 2.345 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000351853585 219227262 /nfs/dbraw/zinc/22/72/62/219227262.db2.gz PFHZGWVINSYKTR-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000351853585 219227265 /nfs/dbraw/zinc/22/72/65/219227265.db2.gz PFHZGWVINSYKTR-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000336838011 365909087 /nfs/dbraw/zinc/90/90/87/365909087.db2.gz MKDWRTOFRPNSMF-XQHKEYJVSA-N 2 1 292.345 2.313 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000336838011 365909089 /nfs/dbraw/zinc/90/90/89/365909089.db2.gz MKDWRTOFRPNSMF-XQHKEYJVSA-N 2 1 292.345 2.313 20 0 CEADMP COC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000130099754 365923913 /nfs/dbraw/zinc/92/39/13/365923913.db2.gz DXZWCWYDIKDORZ-RAFNIBEQSA-N 2 1 252.402 2.160 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334288394 539588706 /nfs/dbraw/zinc/58/87/06/539588706.db2.gz ZAYWCNICPXZGAA-INIZCTEOSA-N 2 1 276.428 2.348 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334288394 539588711 /nfs/dbraw/zinc/58/87/11/539588711.db2.gz ZAYWCNICPXZGAA-INIZCTEOSA-N 2 1 276.428 2.348 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334288395 539588878 /nfs/dbraw/zinc/58/88/78/539588878.db2.gz ZAYWCNICPXZGAA-MRXNPFEDSA-N 2 1 276.428 2.348 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334288395 539588880 /nfs/dbraw/zinc/58/88/80/539588880.db2.gz ZAYWCNICPXZGAA-MRXNPFEDSA-N 2 1 276.428 2.348 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000459635417 290201382 /nfs/dbraw/zinc/20/13/82/290201382.db2.gz PZKLLYKBZCFTLF-KBXIAJHMSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339408147 215153150 /nfs/dbraw/zinc/15/31/50/215153150.db2.gz QNRIMWWUPIXGJD-CZUORRHYSA-N 2 1 274.408 2.223 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCc1ccc2c(c1)CCO2 ZINC000339411200 215155628 /nfs/dbraw/zinc/15/56/28/215155628.db2.gz VEQAGTQXLBGCAF-HIFRSBDPSA-N 2 1 274.408 2.223 20 0 CEADMP CC[C@@H](C)[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000456513633 539636315 /nfs/dbraw/zinc/63/63/15/539636315.db2.gz BFJRSJWOWBWZMK-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623357822 349997472 /nfs/dbraw/zinc/99/74/72/349997472.db2.gz BMHDISQODHUSHE-GJZGRUSLSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623357822 349997477 /nfs/dbraw/zinc/99/74/77/349997477.db2.gz BMHDISQODHUSHE-GJZGRUSLSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623357822 349997480 /nfs/dbraw/zinc/99/74/80/349997480.db2.gz BMHDISQODHUSHE-GJZGRUSLSA-N 2 1 267.461 2.323 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)CC1(C)C ZINC000623361113 349999080 /nfs/dbraw/zinc/99/90/80/349999080.db2.gz NOBQNISWQFYTAO-KKUMJFAQSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1(C)C ZINC000623361113 349999083 /nfs/dbraw/zinc/99/90/83/349999083.db2.gz NOBQNISWQFYTAO-KKUMJFAQSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1(C)C ZINC000623361113 349999084 /nfs/dbraw/zinc/99/90/84/349999084.db2.gz NOBQNISWQFYTAO-KKUMJFAQSA-N 2 1 265.445 2.076 20 0 CEADMP C[N@H+]1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC000623363302 349999964 /nfs/dbraw/zinc/99/99/64/349999964.db2.gz LWQCNUQZTPZGQY-MRXNPFEDSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CCC[C@H]1C ZINC000617507268 348718911 /nfs/dbraw/zinc/71/89/11/348718911.db2.gz OUPCWWGQCSORPM-OWCLPIDISA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CCC[C@H]1C ZINC000617507268 348718912 /nfs/dbraw/zinc/71/89/12/348718912.db2.gz OUPCWWGQCSORPM-OWCLPIDISA-N 2 1 297.487 2.201 20 0 CEADMP C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000339070213 539660257 /nfs/dbraw/zinc/66/02/57/539660257.db2.gz ZLQYDBZQWAFAPP-WCXIOVBPSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000339070213 539660259 /nfs/dbraw/zinc/66/02/59/539660259.db2.gz ZLQYDBZQWAFAPP-WCXIOVBPSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000339070213 539660269 /nfs/dbraw/zinc/66/02/69/539660269.db2.gz ZLQYDBZQWAFAPP-WCXIOVBPSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)C ZINC000617753695 348780443 /nfs/dbraw/zinc/78/04/43/348780443.db2.gz IKCGBKKVWQQROE-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCN(C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000617930290 348828905 /nfs/dbraw/zinc/82/89/05/348828905.db2.gz ZTDBRCIQVJJQPN-VGWMRTNUSA-N 2 1 295.471 2.190 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCC[NH+](C)C1CCCC1 ZINC000339272948 539684634 /nfs/dbraw/zinc/68/46/34/539684634.db2.gz VTAILRSGUYNXHJ-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCC(=O)NCC[N@H+](C)C1CCCC1 ZINC000339272948 539684637 /nfs/dbraw/zinc/68/46/37/539684637.db2.gz VTAILRSGUYNXHJ-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000339272948 539684638 /nfs/dbraw/zinc/68/46/38/539684638.db2.gz VTAILRSGUYNXHJ-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP [NH3+]CCC[NH2+]Cc1ccc(F)cc1Br ZINC000051355771 539704908 /nfs/dbraw/zinc/70/49/08/539704908.db2.gz ZXNCHRXGJUVCQO-UHFFFAOYSA-N 2 1 261.138 2.027 20 0 CEADMP C[C@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400459820 233179293 /nfs/dbraw/zinc/17/92/93/233179293.db2.gz RGRZVNXDCZSHFR-RYQLBKOJSA-N 2 1 287.451 2.381 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459787542 290240259 /nfs/dbraw/zinc/24/02/59/290240259.db2.gz LGKIOXASKLDSSU-LBPRGKRZSA-N 2 1 261.373 2.056 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000568868985 299161840 /nfs/dbraw/zinc/16/18/40/299161840.db2.gz GCWGDXVLLFRPCP-YOEHRIQHSA-N 2 1 295.471 2.145 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000459799726 290244492 /nfs/dbraw/zinc/24/44/92/290244492.db2.gz ZATFTGJCXPKUOY-JYJNAYRXSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC000459799726 290244495 /nfs/dbraw/zinc/24/44/95/290244495.db2.gz ZATFTGJCXPKUOY-JYJNAYRXSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000459799726 290244498 /nfs/dbraw/zinc/24/44/98/290244498.db2.gz ZATFTGJCXPKUOY-JYJNAYRXSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000459799728 290244763 /nfs/dbraw/zinc/24/47/63/290244763.db2.gz ZATFTGJCXPKUOY-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC000459799728 290244767 /nfs/dbraw/zinc/24/47/67/290244767.db2.gz ZATFTGJCXPKUOY-PMPSAXMXSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000459799728 290244771 /nfs/dbraw/zinc/24/47/71/290244771.db2.gz ZATFTGJCXPKUOY-PMPSAXMXSA-N 2 1 267.461 2.038 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2)CC1(C)C ZINC000623373982 350003548 /nfs/dbraw/zinc/00/35/48/350003548.db2.gz SHPRXSPLWJMNDZ-SJORKVTESA-N 2 1 290.451 2.300 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCOC2CCCC2)CC1(C)C ZINC000623381250 350005195 /nfs/dbraw/zinc/00/51/95/350005195.db2.gz JOASVPMKJLUDQH-CYBMUJFWSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2COc3ccccc3C2)CC1(C)C ZINC000623382366 350005263 /nfs/dbraw/zinc/00/52/63/350005263.db2.gz DEMNXZBSTHIQJD-HUUCEWRRSA-N 2 1 274.408 2.453 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccncc1Cl ZINC000623412616 350012731 /nfs/dbraw/zinc/01/27/31/350012731.db2.gz SRSPIBYMNNHYLL-AWEZNQCLSA-N 2 1 297.830 2.062 20 0 CEADMP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623420583 350016010 /nfs/dbraw/zinc/01/60/10/350016010.db2.gz HSJZQDCPVMMRKG-KFWWJZLASA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1(C)C ZINC000623454573 350024877 /nfs/dbraw/zinc/02/48/77/350024877.db2.gz KTBLXLRTDDKRRJ-HUUCEWRRSA-N 2 1 296.455 2.177 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623657123 350076235 /nfs/dbraw/zinc/07/62/35/350076235.db2.gz KCOROSNKMTYNIP-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCCC[C@H]2O)CC1(C)C ZINC000623525446 350040707 /nfs/dbraw/zinc/04/07/07/350040707.db2.gz MEVMUDZZJXDELS-MGPQQGTHSA-N 2 1 254.418 2.142 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)CC1(C)C ZINC000623542499 350045844 /nfs/dbraw/zinc/04/58/44/350045844.db2.gz CVJTUCIHLCWVKP-LBPRGKRZSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623561262 350051305 /nfs/dbraw/zinc/05/13/05/350051305.db2.gz HJWLBZIIBZNXGL-HIFRSBDPSA-N 2 1 261.413 2.475 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCCO1 ZINC000623860716 350128535 /nfs/dbraw/zinc/12/85/35/350128535.db2.gz CJYSZXJCEDVYJO-GZBFAFLISA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000090891604 180053533 /nfs/dbraw/zinc/05/35/33/180053533.db2.gz IBXPSRDJNLMIPN-OQUILHJVSA-N 2 1 294.414 2.352 20 0 CEADMP CC(C)c1cccc([C@@H](C)[NH2+]C[C@@H](O)CN(C)C)c1 ZINC000623889081 350135179 /nfs/dbraw/zinc/13/51/79/350135179.db2.gz CFSGWRMYIUEXPI-CZUORRHYSA-N 2 1 264.413 2.383 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000271280756 191047453 /nfs/dbraw/zinc/04/74/53/191047453.db2.gz NYKPYJYRHULIPP-LJQANCHMSA-N 2 1 299.462 2.289 20 0 CEADMP Cc1csc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623977897 350159636 /nfs/dbraw/zinc/15/96/36/350159636.db2.gz DGKNPVXKNZIRLG-ZDUSSCGKSA-N 2 1 296.484 2.128 20 0 CEADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000624033292 350175545 /nfs/dbraw/zinc/17/55/45/350175545.db2.gz AQDDZEQSQJYZRR-AIANPOQGSA-N 2 1 278.440 2.266 20 0 CEADMP CC(C)[NH+]1CCC(NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624120461 350198620 /nfs/dbraw/zinc/19/86/20/350198620.db2.gz ZTUXAEKPMKSBRA-OAHLLOKOSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000624120461 350198624 /nfs/dbraw/zinc/19/86/24/350198624.db2.gz ZTUXAEKPMKSBRA-OAHLLOKOSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624120461 350198629 /nfs/dbraw/zinc/19/86/29/350198629.db2.gz ZTUXAEKPMKSBRA-OAHLLOKOSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2COc3cccc(C)c3C2)CC1 ZINC000624071596 350185488 /nfs/dbraw/zinc/18/54/88/350185488.db2.gz DXYCEPBIMGRGFV-HNNXBMFYSA-N 2 1 274.408 2.372 20 0 CEADMP Cc1nn(C)c(Cl)c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091846805 180270456 /nfs/dbraw/zinc/27/04/56/180270456.db2.gz DWUIRORCWUTNGY-UHFFFAOYSA-N 2 1 270.808 2.084 20 0 CEADMP C[N@@H+](Cc1nc(-c2ccco2)no1)C1CCC([NH3+])CC1 ZINC000091847561 180271079 /nfs/dbraw/zinc/27/10/79/180271079.db2.gz XZAXIPCEKXKMTM-UHFFFAOYSA-N 2 1 276.340 2.031 20 0 CEADMP C1=C(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)COCC1 ZINC000092066910 180316381 /nfs/dbraw/zinc/31/63/81/180316381.db2.gz JKRPNCZAUYYSNB-RDJZCZTQSA-N 2 1 276.424 2.282 20 0 CEADMP C1=C(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)COCC1 ZINC000092066910 180316382 /nfs/dbraw/zinc/31/63/82/180316382.db2.gz JKRPNCZAUYYSNB-RDJZCZTQSA-N 2 1 276.424 2.282 20 0 CEADMP C1=C(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)COCC1 ZINC000092066910 180316385 /nfs/dbraw/zinc/31/63/85/180316385.db2.gz JKRPNCZAUYYSNB-RDJZCZTQSA-N 2 1 276.424 2.282 20 0 CEADMP C1=C(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)COCC1 ZINC000092066910 180316387 /nfs/dbraw/zinc/31/63/87/180316387.db2.gz JKRPNCZAUYYSNB-RDJZCZTQSA-N 2 1 276.424 2.282 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)Cc2ccccc2)CC1 ZINC000106388576 186113552 /nfs/dbraw/zinc/11/35/52/186113552.db2.gz VUXSZLUJJCALJF-QGZVFWFLSA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)Cc2ccccc2)CC1 ZINC000106388576 186113553 /nfs/dbraw/zinc/11/35/53/186113553.db2.gz VUXSZLUJJCALJF-QGZVFWFLSA-N 2 1 276.424 2.006 20 0 CEADMP Fc1ccccc1SCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107574664 186179517 /nfs/dbraw/zinc/17/95/17/186179517.db2.gz WAXIPRWTWUXOIX-VXGBXAGGSA-N 2 1 266.385 2.069 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC(F)(F)CC1 ZINC000625772167 350565400 /nfs/dbraw/zinc/56/54/00/350565400.db2.gz NTPQEMNVEOVDCT-UHFFFAOYSA-N 2 1 257.328 2.474 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC(F)(F)CC1 ZINC000625772167 350565402 /nfs/dbraw/zinc/56/54/02/350565402.db2.gz NTPQEMNVEOVDCT-UHFFFAOYSA-N 2 1 257.328 2.474 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000625832587 350581654 /nfs/dbraw/zinc/58/16/54/350581654.db2.gz VQYXJKQXXUHFBY-HOCLYGCPSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000108427966 186216049 /nfs/dbraw/zinc/21/60/49/186216049.db2.gz OGUQMUSYDLXSKM-CQSZACIVSA-N 2 1 272.392 2.394 20 0 CEADMP Cc1[nH+]ccn1CCN1CCOc2cc(F)ccc2C1 ZINC000626153065 350669421 /nfs/dbraw/zinc/66/94/21/350669421.db2.gz STTGUDNTDBQKLH-UHFFFAOYSA-N 2 1 275.327 2.225 20 0 CEADMP C[N@H+](Cc1cccc2n[nH]cc21)CC1CC[NH+](C)CC1 ZINC000628163639 350986165 /nfs/dbraw/zinc/98/61/65/350986165.db2.gz LOHNUCYRLBKCBG-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(C3CC3)o2)C1 ZINC000628281418 351039937 /nfs/dbraw/zinc/03/99/37/351039937.db2.gz XSNAOLLHDGBCBM-DZGCQCFKSA-N 2 1 275.396 2.468 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(C3CC3)o2)C1 ZINC000628281418 351039940 /nfs/dbraw/zinc/03/99/40/351039940.db2.gz XSNAOLLHDGBCBM-DZGCQCFKSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnc(C3CC3)o2)C1 ZINC000628281418 351039942 /nfs/dbraw/zinc/03/99/42/351039942.db2.gz XSNAOLLHDGBCBM-DZGCQCFKSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnc(C3CC3)o2)C1 ZINC000628281418 351039944 /nfs/dbraw/zinc/03/99/44/351039944.db2.gz XSNAOLLHDGBCBM-DZGCQCFKSA-N 2 1 275.396 2.468 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[C@H](C)[NH2+]C3)CC2)n1 ZINC000629542402 351404406 /nfs/dbraw/zinc/40/44/06/351404406.db2.gz YYLIWQDJQRHBDB-KWCMIHLGSA-N 2 1 278.400 2.134 20 0 CEADMP [NH3+]C1(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CCOCC1 ZINC000629525594 351390326 /nfs/dbraw/zinc/39/03/26/351390326.db2.gz XHNPTLSVXKQXRR-CQSZACIVSA-N 2 1 294.370 2.137 20 0 CEADMP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1F ZINC000629524739 351390704 /nfs/dbraw/zinc/39/07/04/351390704.db2.gz NYLFNEAXTAMKEF-AWEZNQCLSA-N 2 1 266.360 2.374 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000629388672 351347379 /nfs/dbraw/zinc/34/73/79/351347379.db2.gz VOJJPDJFYZKMJB-UHFFFAOYSA-N 2 1 288.313 2.303 20 0 CEADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000629594630 351426894 /nfs/dbraw/zinc/42/68/94/351426894.db2.gz FWSHUXLLZWAMPF-VIOGHGGCSA-N 2 1 264.413 2.186 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@H]1CCCC1(C)C)C1CC1 ZINC000629600622 351428963 /nfs/dbraw/zinc/42/89/63/351428963.db2.gz QADHYYJPOKVVKT-HIFRSBDPSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@H]1CCCC1(C)C)C1CC1 ZINC000629600622 351428966 /nfs/dbraw/zinc/42/89/66/351428966.db2.gz QADHYYJPOKVVKT-HIFRSBDPSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629647343 351446061 /nfs/dbraw/zinc/44/60/61/351446061.db2.gz RCNMVIIXGOVMSY-DOMZBBRYSA-N 2 1 258.365 2.132 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629647346 351446411 /nfs/dbraw/zinc/44/64/11/351446411.db2.gz RCNMVIIXGOVMSY-WFASDCNBSA-N 2 1 258.365 2.132 20 0 CEADMP Cc1cc2cc(C[N@@H+](C)CCOCC[NH3+])oc2cc1C ZINC000629661310 351455623 /nfs/dbraw/zinc/45/56/23/351455623.db2.gz BXLQGBNLVNWRDJ-UHFFFAOYSA-N 2 1 276.380 2.457 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1cccc(-c2ccccn2)c1 ZINC000629665995 351457675 /nfs/dbraw/zinc/45/76/75/351457675.db2.gz ZQOBBYFYQSHBOJ-UHFFFAOYSA-N 2 1 285.391 2.156 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC2CC=CC2)CC[C@@H]1C(F)(F)F ZINC000629564717 351415686 /nfs/dbraw/zinc/41/56/86/351415686.db2.gz UDSXLZRKDRJADB-NEPJUHHUSA-N 2 1 262.319 2.412 20 0 CEADMP C[N@@H+](CCOCC[NH3+])CCOc1cccc2ccccc21 ZINC000629579352 351420558 /nfs/dbraw/zinc/42/05/58/351420558.db2.gz SQLLEICQLSRTDQ-UHFFFAOYSA-N 2 1 288.391 2.126 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000629585439 351423911 /nfs/dbraw/zinc/42/39/11/351423911.db2.gz VCSCYRRZNZOBPY-HDICACEKSA-N 2 1 296.418 2.304 20 0 CEADMP Cc1ccc(CC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629585371 351424258 /nfs/dbraw/zinc/42/42/58/351424258.db2.gz TYWJXCYZXXVXCR-CALCHBBNSA-N 2 1 258.409 2.469 20 0 CEADMP CN(C)c1[nH+]cc(CNc2ccc(C[NH+](C)C)cc2)n1C ZINC000070143496 363036946 /nfs/dbraw/zinc/03/69/46/363036946.db2.gz LZTDJCSZEILOGT-UHFFFAOYSA-N 2 1 287.411 2.160 20 0 CEADMP CC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149733 363038260 /nfs/dbraw/zinc/03/82/60/363038260.db2.gz DZIURLLAAMDZTD-OAHLLOKOSA-N 2 1 290.407 2.471 20 0 CEADMP CC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149733 363038265 /nfs/dbraw/zinc/03/82/65/363038265.db2.gz DZIURLLAAMDZTD-OAHLLOKOSA-N 2 1 290.407 2.471 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070170954 363045266 /nfs/dbraw/zinc/04/52/66/363045266.db2.gz GIONEAXVUKGYIW-CYBMUJFWSA-N 2 1 276.380 2.034 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2ccccc2F)C1 ZINC000070174682 363048706 /nfs/dbraw/zinc/04/87/06/363048706.db2.gz QDTXCZISHNOYDK-CHWSQXEVSA-N 2 1 266.360 2.264 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccccc2F)C1 ZINC000070174682 363048710 /nfs/dbraw/zinc/04/87/10/363048710.db2.gz QDTXCZISHNOYDK-CHWSQXEVSA-N 2 1 266.360 2.264 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000070174521 363048970 /nfs/dbraw/zinc/04/89/70/363048970.db2.gz STBXZJFTRVUSFH-STQMWFEESA-N 2 1 266.360 2.264 20 0 CEADMP CC(C)COCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352246722 219380641 /nfs/dbraw/zinc/38/06/41/219380641.db2.gz RUXVXQWNHDULOW-UHFFFAOYSA-N 2 1 285.457 2.357 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC000629946560 351546647 /nfs/dbraw/zinc/54/66/47/351546647.db2.gz VOLLURZXQRMLKD-UHFFFAOYSA-N 2 1 275.396 2.171 20 0 CEADMP CC(C)[NH+](CCNCc1ncc(C[NH+](C)C)s1)C(C)C ZINC000352256342 219383735 /nfs/dbraw/zinc/38/37/35/219383735.db2.gz HRUNJBBKQAASLC-UHFFFAOYSA-N 2 1 298.500 2.413 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000337200424 366071878 /nfs/dbraw/zinc/07/18/78/366071878.db2.gz ZQSIWNRVGBJDMJ-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](CC2=CCCOC2)CC1 ZINC000121798420 186996666 /nfs/dbraw/zinc/99/66/66/186996666.db2.gz GQDYCYDIXZILKK-UHFFFAOYSA-N 2 1 275.396 2.021 20 0 CEADMP COc1ccc([C@H](CN(C)C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000569120409 299182415 /nfs/dbraw/zinc/18/24/15/299182415.db2.gz GHRLMPMPXKKWDL-INMHGKMJSA-N 2 1 291.439 2.157 20 0 CEADMP C[NH+](C)CCCC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000123456003 187093357 /nfs/dbraw/zinc/09/33/57/187093357.db2.gz RLDSDZCDLOZXPF-UHFFFAOYSA-N 2 1 284.444 2.382 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123648878 187103182 /nfs/dbraw/zinc/10/31/82/187103182.db2.gz QIOCPZDNALJGCR-PBHICJAKSA-N 3 1 275.440 2.178 20 0 CEADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123648878 187103183 /nfs/dbraw/zinc/10/31/83/187103183.db2.gz QIOCPZDNALJGCR-PBHICJAKSA-N 2 1 275.440 2.178 20 0 CEADMP Cc1ncsc1CC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123715269 187105844 /nfs/dbraw/zinc/10/58/44/187105844.db2.gz DOJFEIRHDWUEAQ-LBPRGKRZSA-N 2 1 255.431 2.299 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1(O)CCCC1 ZINC000123785272 187108657 /nfs/dbraw/zinc/10/86/57/187108657.db2.gz XPPZBZDLLOBCKN-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1(O)CCCC1 ZINC000123785272 187108658 /nfs/dbraw/zinc/10/86/58/187108658.db2.gz XPPZBZDLLOBCKN-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1(O)CCCC1 ZINC000123785272 187108659 /nfs/dbraw/zinc/10/86/59/187108659.db2.gz XPPZBZDLLOBCKN-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP CCOC(=O)CCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123869055 187112219 /nfs/dbraw/zinc/11/22/19/187112219.db2.gz XHZMPBYTJKYYFO-KGLIPLIRSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123869055 187112220 /nfs/dbraw/zinc/11/22/20/187112220.db2.gz XHZMPBYTJKYYFO-KGLIPLIRSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123869055 187112221 /nfs/dbraw/zinc/11/22/21/187112221.db2.gz XHZMPBYTJKYYFO-KGLIPLIRSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123869055 187112222 /nfs/dbraw/zinc/11/22/22/187112222.db2.gz XHZMPBYTJKYYFO-KGLIPLIRSA-N 2 1 270.417 2.134 20 0 CEADMP c1cc(C[NH2+]CCC[NH+]2CCCC2)n(CC2CCC2)n1 ZINC000631035199 351931202 /nfs/dbraw/zinc/93/12/02/351931202.db2.gz CMEMRCZUMDYKTQ-UHFFFAOYSA-N 2 1 276.428 2.259 20 0 CEADMP COc1cncc(C[NH2+]CCC[N@H+](C)C(C)C)c1C ZINC000631039260 351932775 /nfs/dbraw/zinc/93/27/75/351932775.db2.gz GMONUXUCPHDICA-UHFFFAOYSA-N 2 1 265.401 2.219 20 0 CEADMP COc1cncc(C[NH2+]CCC[N@@H+](C)C(C)C)c1C ZINC000631039260 351932777 /nfs/dbraw/zinc/93/27/77/351932777.db2.gz GMONUXUCPHDICA-UHFFFAOYSA-N 2 1 265.401 2.219 20 0 CEADMP OC[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000631199284 352013499 /nfs/dbraw/zinc/01/34/99/352013499.db2.gz QWJUHOCLXRCCQS-WOVMCDHWSA-N 2 1 274.408 2.012 20 0 CEADMP COCCc1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)s1 ZINC000631180323 352003330 /nfs/dbraw/zinc/00/33/30/352003330.db2.gz DNCIURDSAYQWIO-ZDUSSCGKSA-N 2 1 297.468 2.154 20 0 CEADMP COCCc1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000631180323 352003334 /nfs/dbraw/zinc/00/33/34/352003334.db2.gz DNCIURDSAYQWIO-ZDUSSCGKSA-N 2 1 297.468 2.154 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132007212 187602163 /nfs/dbraw/zinc/60/21/63/187602163.db2.gz KBYKMHIEIUGRQS-UGFHNGPFSA-N 2 1 256.353 2.006 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC000072860486 363172836 /nfs/dbraw/zinc/17/28/36/363172836.db2.gz WZKSZLCWLUZXCV-AWEZNQCLSA-N 2 1 280.387 2.478 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC000072860486 363172838 /nfs/dbraw/zinc/17/28/38/363172838.db2.gz WZKSZLCWLUZXCV-AWEZNQCLSA-N 2 1 280.387 2.478 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000072860486 363172839 /nfs/dbraw/zinc/17/28/39/363172839.db2.gz WZKSZLCWLUZXCV-AWEZNQCLSA-N 2 1 280.387 2.478 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000072860486 363172841 /nfs/dbraw/zinc/17/28/41/363172841.db2.gz WZKSZLCWLUZXCV-AWEZNQCLSA-N 2 1 280.387 2.478 20 0 CEADMP Cc1cnccc1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000271561339 191212497 /nfs/dbraw/zinc/21/24/97/191212497.db2.gz WUPKLEQBQXTZNP-IIAWOOMASA-N 2 1 261.413 2.251 20 0 CEADMP Cc1ccncc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000271595184 191232281 /nfs/dbraw/zinc/23/22/81/191232281.db2.gz UKHVGPYLEYCBAA-INIZCTEOSA-N 2 1 290.455 2.068 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250959518 539970582 /nfs/dbraw/zinc/97/05/82/539970582.db2.gz NNRAFYUMIDBTIR-ZIAGYGMSSA-N 2 1 279.453 2.458 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000569378432 299199034 /nfs/dbraw/zinc/19/90/34/299199034.db2.gz RCHAJAOQXKBCDG-SOUVJXGZSA-N 2 1 253.434 2.110 20 0 CEADMP CC[C@@H]1CCCCN1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000569378432 299199036 /nfs/dbraw/zinc/19/90/36/299199036.db2.gz RCHAJAOQXKBCDG-SOUVJXGZSA-N 3 1 253.434 2.110 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000155443966 188206783 /nfs/dbraw/zinc/20/67/83/188206783.db2.gz VKCPUHIMZSMMRQ-DYVFJYSZSA-N 2 1 289.423 2.465 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000155443966 188206784 /nfs/dbraw/zinc/20/67/84/188206784.db2.gz VKCPUHIMZSMMRQ-DYVFJYSZSA-N 2 1 289.423 2.465 20 0 CEADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)[C@H]1C[NH3+] ZINC000252110569 539999088 /nfs/dbraw/zinc/99/90/88/539999088.db2.gz HSIODKIGOAGTPK-DOMZBBRYSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)[C@H]1C[NH3+] ZINC000252110569 539999092 /nfs/dbraw/zinc/99/90/92/539999092.db2.gz HSIODKIGOAGTPK-DOMZBBRYSA-N 2 1 293.386 2.214 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2cccc(F)c2)[C@H](C)C1 ZINC000157620790 188328375 /nfs/dbraw/zinc/32/83/75/188328375.db2.gz CGASZYKHRCQOGP-WQVCFCJDSA-N 2 1 280.387 2.179 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCCC[NH3+] ZINC000569479250 299205331 /nfs/dbraw/zinc/20/53/31/299205331.db2.gz CCVJDFXGIBKJFD-UHFFFAOYSA-N 2 1 291.439 2.272 20 0 CEADMP CCCC[N@H+](C)CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC000073611258 363234830 /nfs/dbraw/zinc/23/48/30/363234830.db2.gz IJRAWCCXPDLWAR-UHFFFAOYSA-N 2 1 294.443 2.245 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC000073611258 363234835 /nfs/dbraw/zinc/23/48/35/363234835.db2.gz IJRAWCCXPDLWAR-UHFFFAOYSA-N 2 1 294.443 2.245 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@@H]1C ZINC000494931121 291005419 /nfs/dbraw/zinc/00/54/19/291005419.db2.gz PYWADNZSBACGHH-KNCCTNLNSA-N 2 1 288.435 2.387 20 0 CEADMP CSC1(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)CCC1 ZINC000356328033 370661164 /nfs/dbraw/zinc/66/11/64/370661164.db2.gz ZYLSVQATSAWQIN-UHFFFAOYSA-N 2 1 299.528 2.230 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000132260220 366130511 /nfs/dbraw/zinc/13/05/11/366130511.db2.gz JLTZGJNMLBGANA-BBRMVZONSA-N 2 1 262.397 2.168 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCC12CCC2 ZINC000337510137 366157984 /nfs/dbraw/zinc/15/79/84/366157984.db2.gz IJOYLXMLEYROJC-CABCVRRESA-N 2 1 266.429 2.146 20 0 CEADMP CCOc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1O ZINC000338145933 366211514 /nfs/dbraw/zinc/21/15/14/366211514.db2.gz IREOFDXQAFIKIH-UHFFFAOYSA-N 2 1 289.379 2.476 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCC1CCOCC1 ZINC000682070020 540065738 /nfs/dbraw/zinc/06/57/38/540065738.db2.gz BVHSPWQRLLJXAC-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCC1CCOCC1 ZINC000682070020 540065743 /nfs/dbraw/zinc/06/57/43/540065743.db2.gz BVHSPWQRLLJXAC-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCC1CCOCC1 ZINC000682070020 540065746 /nfs/dbraw/zinc/06/57/46/540065746.db2.gz BVHSPWQRLLJXAC-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCC1CCOCC1 ZINC000682070020 540065751 /nfs/dbraw/zinc/06/57/51/540065751.db2.gz BVHSPWQRLLJXAC-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1)O[C@@H](C)C2 ZINC000159096140 540070134 /nfs/dbraw/zinc/07/01/34/540070134.db2.gz ZXBYRZCHIHXPAQ-XUJVJEKNSA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)O[C@@H](C)C2 ZINC000159096140 540070136 /nfs/dbraw/zinc/07/01/36/540070136.db2.gz ZXBYRZCHIHXPAQ-XUJVJEKNSA-N 2 1 290.407 2.188 20 0 CEADMP CC[C@@H]1CCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000569919485 299225793 /nfs/dbraw/zinc/22/57/93/299225793.db2.gz YQPRSCSQGIZRDI-VXLLPVPCSA-N 2 1 279.472 2.371 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451709526 283080396 /nfs/dbraw/zinc/08/03/96/283080396.db2.gz ONEOYGMAULFKBS-VQHPVUNQSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451709526 283080398 /nfs/dbraw/zinc/08/03/98/283080398.db2.gz ONEOYGMAULFKBS-VQHPVUNQSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451709526 283080401 /nfs/dbraw/zinc/08/04/01/283080401.db2.gz ONEOYGMAULFKBS-VQHPVUNQSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451709526 283080404 /nfs/dbraw/zinc/08/04/04/283080404.db2.gz ONEOYGMAULFKBS-VQHPVUNQSA-N 2 1 280.456 2.344 20 0 CEADMP C(C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000569928399 299227046 /nfs/dbraw/zinc/22/70/46/299227046.db2.gz PXPXHMMITLTCPR-CVEARBPZSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271834856 191357686 /nfs/dbraw/zinc/35/76/86/191357686.db2.gz FRUMDKPGLLJHIZ-QFBILLFUSA-N 2 1 299.462 2.358 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271834858 191357920 /nfs/dbraw/zinc/35/79/20/191357920.db2.gz FRUMDKPGLLJHIZ-VQIMIIECSA-N 2 1 299.462 2.358 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1nc2ccccc2n1C ZINC000271815566 191345252 /nfs/dbraw/zinc/34/52/52/191345252.db2.gz BMHKHSHOORLMAG-CYBMUJFWSA-N 2 1 284.407 2.486 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271819454 191347310 /nfs/dbraw/zinc/34/73/10/191347310.db2.gz NFORLUAYKRAWFG-OAHLLOKOSA-N 2 1 286.423 2.347 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271819454 191347311 /nfs/dbraw/zinc/34/73/11/191347311.db2.gz NFORLUAYKRAWFG-OAHLLOKOSA-N 2 1 286.423 2.347 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271819454 191347315 /nfs/dbraw/zinc/34/73/15/191347315.db2.gz NFORLUAYKRAWFG-OAHLLOKOSA-N 2 1 286.423 2.347 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271819454 191347318 /nfs/dbraw/zinc/34/73/18/191347318.db2.gz NFORLUAYKRAWFG-OAHLLOKOSA-N 2 1 286.423 2.347 20 0 CEADMP Cc1ncsc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380103336 540125627 /nfs/dbraw/zinc/12/56/27/540125627.db2.gz XVNKAGUNLXRPOQ-AAEUAGOBSA-N 2 1 251.399 2.012 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000519758546 540128616 /nfs/dbraw/zinc/12/86/16/540128616.db2.gz KVENMSDDDNGKID-PVAVHDDUSA-N 2 1 276.424 2.382 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000519758546 540128619 /nfs/dbraw/zinc/12/86/19/540128619.db2.gz KVENMSDDDNGKID-PVAVHDDUSA-N 2 1 276.424 2.382 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000519758546 540128620 /nfs/dbraw/zinc/12/86/20/540128620.db2.gz KVENMSDDDNGKID-PVAVHDDUSA-N 2 1 276.424 2.382 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000519758546 540128622 /nfs/dbraw/zinc/12/86/22/540128622.db2.gz KVENMSDDDNGKID-PVAVHDDUSA-N 2 1 276.424 2.382 20 0 CEADMP CCO[C@@H]1C[N@@H+](CCSc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000405491922 540135313 /nfs/dbraw/zinc/13/53/13/540135313.db2.gz ZWIPKFIRBSDQJS-IUODEOHRSA-N 2 1 298.427 2.213 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](CO)CC(C)(C)C ZINC000451776990 283101959 /nfs/dbraw/zinc/10/19/59/283101959.db2.gz AXFOHLXDDDYZIF-ZIAGYGMSSA-N 2 1 256.434 2.200 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](CO)CC(C)(C)C ZINC000451776990 283101963 /nfs/dbraw/zinc/10/19/63/283101963.db2.gz AXFOHLXDDDYZIF-ZIAGYGMSSA-N 2 1 256.434 2.200 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](CO)CC(C)(C)C ZINC000451776990 283101967 /nfs/dbraw/zinc/10/19/67/283101967.db2.gz AXFOHLXDDDYZIF-ZIAGYGMSSA-N 2 1 256.434 2.200 20 0 CEADMP Cc1nc2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2s1 ZINC000683161696 540177488 /nfs/dbraw/zinc/17/74/88/540177488.db2.gz FFCOBWKDUCNRLR-STQMWFEESA-N 2 1 273.405 2.256 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCS2)[C@@H]2CCC[C@H]21 ZINC000353395982 283137596 /nfs/dbraw/zinc/13/75/96/283137596.db2.gz SFSYEDGQOJXVGD-XDQVBPFNSA-N 2 1 254.443 2.344 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOC2CCCC2)[C@@H]2CCC[C@H]21 ZINC000367742880 283135991 /nfs/dbraw/zinc/13/59/91/283135991.db2.gz WYFVIPPFBYHMMV-HRCADAONSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)[C@H]2CCC[C@H]21 ZINC000353523166 283140730 /nfs/dbraw/zinc/14/07/30/283140730.db2.gz WYAIQPCHCPKPRG-YIYPIFLZSA-N 2 1 254.443 2.344 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccco2)[C@@H]2CCC[C@H]21 ZINC000353683314 283142479 /nfs/dbraw/zinc/14/24/79/283142479.db2.gz FCHMYJYAGOAXPQ-BYNSBNAKSA-N 2 1 278.396 2.166 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccco2)[C@@H]2CCC[C@H]21 ZINC000353683314 283142480 /nfs/dbraw/zinc/14/24/80/283142480.db2.gz FCHMYJYAGOAXPQ-BYNSBNAKSA-N 2 1 278.396 2.166 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000576866645 314317947 /nfs/dbraw/zinc/31/79/47/314317947.db2.gz FMWQVXGKELGKAP-SRVKXCTJSA-N 2 1 282.350 2.415 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000576866645 314317950 /nfs/dbraw/zinc/31/79/50/314317950.db2.gz FMWQVXGKELGKAP-SRVKXCTJSA-N 2 1 282.350 2.415 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000385260549 540227224 /nfs/dbraw/zinc/22/72/24/540227224.db2.gz VKCJZXIJHGGDOM-ILXRZTDVSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@@H](CCO)C1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CCC1 ZINC000273549512 192197874 /nfs/dbraw/zinc/19/78/74/192197874.db2.gz CLGYTGRPDXXRKW-AWEZNQCLSA-N 2 1 291.439 2.426 20 0 CEADMP Cc1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1F ZINC000570129016 299240102 /nfs/dbraw/zinc/24/01/02/299240102.db2.gz TUSNRRVYGXWPCN-UHFFFAOYSA-N 2 1 295.446 2.449 20 0 CEADMP CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000451967412 283153859 /nfs/dbraw/zinc/15/38/59/283153859.db2.gz NRHMVNLPINYSGI-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000122073106 283173434 /nfs/dbraw/zinc/17/34/34/283173434.db2.gz PTIDFVUFFGNCHR-ZNMIVQPWSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000122073106 283173438 /nfs/dbraw/zinc/17/34/38/283173438.db2.gz PTIDFVUFFGNCHR-ZNMIVQPWSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000338276848 366266687 /nfs/dbraw/zinc/26/66/87/366266687.db2.gz OCUSKEBJOWMZGE-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000338276848 366266692 /nfs/dbraw/zinc/26/66/92/366266692.db2.gz OCUSKEBJOWMZGE-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1scnc1C1CC1 ZINC000414972070 540248512 /nfs/dbraw/zinc/24/85/12/540248512.db2.gz LVQCIMCNUPGHQU-GFCCVEGCSA-N 2 1 265.426 2.498 20 0 CEADMP C[N@@H+](CCCO[C@H]1CCCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000338309726 366286886 /nfs/dbraw/zinc/28/68/86/366286886.db2.gz VVEAGJIHMQRPPF-HOTGVXAUSA-N 2 1 284.444 2.193 20 0 CEADMP C[NH+](CCCO[C@H]1CCCCO1)C[C@H]1CCC[N@H+](C)C1 ZINC000338309726 366286893 /nfs/dbraw/zinc/28/68/93/366286893.db2.gz VVEAGJIHMQRPPF-HOTGVXAUSA-N 2 1 284.444 2.193 20 0 CEADMP C[NH+](CCCO[C@H]1CCCCO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000338309726 366286902 /nfs/dbraw/zinc/28/69/02/366286902.db2.gz VVEAGJIHMQRPPF-HOTGVXAUSA-N 2 1 284.444 2.193 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338344935 366306676 /nfs/dbraw/zinc/30/66/76/366306676.db2.gz LSMMVKYKOQVIRP-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338344935 366306678 /nfs/dbraw/zinc/30/66/78/366306678.db2.gz LSMMVKYKOQVIRP-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCc1ccc(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000575803446 366360445 /nfs/dbraw/zinc/36/04/45/366360445.db2.gz NKAGHWNXMDFLOD-IRXDYDNUSA-N 2 1 258.409 2.333 20 0 CEADMP C[NH+](C)CC1(C[NH2+]C[C@@](C)(O)C(F)(F)F)CCCC1 ZINC000575862547 366367945 /nfs/dbraw/zinc/36/79/45/366367945.db2.gz BZFZLAHFEFMKGQ-LLVKDONJSA-N 2 1 282.350 2.011 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000309893947 538744711 /nfs/dbraw/zinc/74/47/11/538744711.db2.gz NIHBYLXSVIHOCD-KRWDZBQOSA-N 2 1 298.434 2.340 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000309893947 538744716 /nfs/dbraw/zinc/74/47/16/538744716.db2.gz NIHBYLXSVIHOCD-KRWDZBQOSA-N 2 1 298.434 2.340 20 0 CEADMP C[C@@H](CO)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000120747383 538863684 /nfs/dbraw/zinc/86/36/84/538863684.db2.gz OIDAGYNTVPFKGM-CVEARBPZSA-N 2 1 268.445 2.059 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000121526451 538895804 /nfs/dbraw/zinc/89/58/04/538895804.db2.gz RCHVCMGORTZBAI-UONOGXRCSA-N 3 1 278.444 2.148 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000121526555 538895807 /nfs/dbraw/zinc/89/58/07/538895807.db2.gz RCHVCMGORTZBAI-ZIAGYGMSSA-N 3 1 278.444 2.148 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C(C)(C)C ZINC000670267264 540261314 /nfs/dbraw/zinc/26/13/14/540261314.db2.gz YGFAAXWGYDKQIR-CQSZACIVSA-N 2 1 297.487 2.201 20 0 CEADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353512543 540316058 /nfs/dbraw/zinc/31/60/58/540316058.db2.gz DNSJCVUNTMXPII-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP CSc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000631843007 540316772 /nfs/dbraw/zinc/31/67/72/540316772.db2.gz IHMMANHCVZSRMM-WCQYABFASA-N 2 1 250.411 2.435 20 0 CEADMP CCOC(=O)N[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)CC(C)C ZINC000496243262 291121363 /nfs/dbraw/zinc/12/13/63/291121363.db2.gz FXUASDRGOIRKJS-KKUMJFAQSA-N 2 1 299.459 2.267 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccccc1 ZINC000388315784 540324012 /nfs/dbraw/zinc/32/40/12/540324012.db2.gz HTKHMLDJTJDOAX-CVEARBPZSA-N 2 1 264.413 2.428 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000388315784 540324014 /nfs/dbraw/zinc/32/40/14/540324014.db2.gz HTKHMLDJTJDOAX-CVEARBPZSA-N 2 1 264.413 2.428 20 0 CEADMP C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309984178 540334570 /nfs/dbraw/zinc/33/45/70/540334570.db2.gz WOUPNQMBFBZWSI-NVXWUHKLSA-N 2 1 276.424 2.259 20 0 CEADMP CC(C)c1nnc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[nH]1 ZINC000329182055 202222498 /nfs/dbraw/zinc/22/24/98/202222498.db2.gz OWUNVZAWHYFXRA-XQQFMLRXSA-N 2 1 277.416 2.206 20 0 CEADMP Cc1ccncc1C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000578023031 366431099 /nfs/dbraw/zinc/43/10/99/366431099.db2.gz MVKHNDHNTPRDMQ-UHFFFAOYSA-N 2 1 258.369 2.188 20 0 CEADMP Cc1ccncc1C[N@H+](C)CCCc1c[nH+]cn1C ZINC000578023031 366431104 /nfs/dbraw/zinc/43/11/04/366431104.db2.gz MVKHNDHNTPRDMQ-UHFFFAOYSA-N 2 1 258.369 2.188 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000578024466 366433222 /nfs/dbraw/zinc/43/32/22/366433222.db2.gz YPPXOHOUVDMOTJ-LXTVHRRPSA-N 2 1 256.434 2.103 20 0 CEADMP Cc1csc(CC[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000310750524 540405640 /nfs/dbraw/zinc/40/56/40/540405640.db2.gz JZLUTCNNSWDFEK-UHFFFAOYSA-N 2 1 265.426 2.210 20 0 CEADMP CCCC[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000578316269 366476238 /nfs/dbraw/zinc/47/62/38/366476238.db2.gz UNUBQCUSIXSCJA-GFCCVEGCSA-N 2 1 282.350 2.154 20 0 CEADMP CO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000578357825 366482815 /nfs/dbraw/zinc/48/28/15/366482815.db2.gz KKDDRLVEIIZUJN-QMCVQRASSA-N 2 1 296.455 2.033 20 0 CEADMP CC(C)(C)OC(=O)N1CCC([NH2+]CCC[NH+]2CCC2)CC1 ZINC000496770396 291169044 /nfs/dbraw/zinc/16/90/44/291169044.db2.gz AKWYSWQGWLHLLI-UHFFFAOYSA-N 2 1 297.443 2.071 20 0 CEADMP CN(CCC[N@@H+](C)C[C@]1(C)CC[NH2+]C1)C(=O)OC(C)(C)C ZINC000496908673 291182597 /nfs/dbraw/zinc/18/25/97/291182597.db2.gz FVPDVXGKACWGGV-MRXNPFEDSA-N 2 1 299.459 2.175 20 0 CEADMP CN(C)C1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000417355010 237092542 /nfs/dbraw/zinc/09/25/42/237092542.db2.gz MUOXITFXKPQFJE-UHFFFAOYSA-N 2 1 279.472 2.467 20 0 CEADMP Brc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)nc1 ZINC000666855507 540510126 /nfs/dbraw/zinc/51/01/26/540510126.db2.gz WXDLRGYGRTZOIX-NSHDSACASA-N 2 1 284.201 2.076 20 0 CEADMP CN(Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000667518382 540513227 /nfs/dbraw/zinc/51/32/27/540513227.db2.gz YVGMFMBJDQQCCZ-OAHLLOKOSA-N 2 1 299.422 2.041 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667873886 540527442 /nfs/dbraw/zinc/52/74/42/540527442.db2.gz QHVIAMXQLAMVOS-LSDHHAIUSA-N 2 1 263.385 2.129 20 0 CEADMP CCCN(CC[NH+](CC)CC)Cc1c[nH+]c2n1CCC2 ZINC000667991422 540547974 /nfs/dbraw/zinc/54/79/74/540547974.db2.gz PHCKXRPLIDEYAK-UHFFFAOYSA-N 2 1 278.444 2.383 20 0 CEADMP Cc1ccc(CN(CC[NH+](C)C)Cc2c[nH+]c(C)n2C)o1 ZINC000668159464 540576112 /nfs/dbraw/zinc/57/61/12/540576112.db2.gz XBFNDTMLKUDIDQ-UHFFFAOYSA-N 2 1 290.411 2.194 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000578717320 366535421 /nfs/dbraw/zinc/53/54/21/366535421.db2.gz CNPJBPBEURJNAZ-MSOLQXFVSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000578717320 366535428 /nfs/dbraw/zinc/53/54/28/366535428.db2.gz CNPJBPBEURJNAZ-MSOLQXFVSA-N 2 1 290.451 2.396 20 0 CEADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551177406 540571376 /nfs/dbraw/zinc/57/13/76/540571376.db2.gz YZGNKHUBSAPZKE-XHSDSOJGSA-N 2 1 262.397 2.182 20 0 CEADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551177406 540571378 /nfs/dbraw/zinc/57/13/78/540571378.db2.gz YZGNKHUBSAPZKE-XHSDSOJGSA-N 2 1 262.397 2.182 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000579254396 366619140 /nfs/dbraw/zinc/61/91/40/366619140.db2.gz ILFAJCYKIAANPR-JWSDNSILSA-N 2 1 288.435 2.477 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000579254396 366619145 /nfs/dbraw/zinc/61/91/45/366619145.db2.gz ILFAJCYKIAANPR-JWSDNSILSA-N 2 1 288.435 2.477 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000297913922 200303573 /nfs/dbraw/zinc/30/35/73/200303573.db2.gz WTSGLPGODURXKO-OLZOCXBDSA-N 2 1 275.400 2.395 20 0 CEADMP C[C@@H](CC[NH2+]Cc1cn[nH]c1)[N@H+](C)Cc1ccccc1 ZINC000673812213 540697122 /nfs/dbraw/zinc/69/71/22/540697122.db2.gz VIXLMPPVUFBAEI-AWEZNQCLSA-N 2 1 272.396 2.410 20 0 CEADMP C[C@@H](CC[NH2+]Cc1cn[nH]c1)[N@@H+](C)Cc1ccccc1 ZINC000673812213 540697126 /nfs/dbraw/zinc/69/71/26/540697126.db2.gz VIXLMPPVUFBAEI-AWEZNQCLSA-N 2 1 272.396 2.410 20 0 CEADMP C[C@@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000674289930 540741098 /nfs/dbraw/zinc/74/10/98/540741098.db2.gz WMGRXDGDZWHTFR-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP OCCC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000178973401 189158605 /nfs/dbraw/zinc/15/86/05/189158605.db2.gz GRGSMKFGDHOLQQ-GOSISDBHSA-N 2 1 288.435 2.358 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342146568 216239124 /nfs/dbraw/zinc/23/91/24/216239124.db2.gz TXEDQPSSKMKFQE-RRFJBIMHSA-N 2 1 284.407 2.202 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000571561698 299316450 /nfs/dbraw/zinc/31/64/50/299316450.db2.gz UIFNPLHUAFKATK-QGZVFWFLSA-N 2 1 288.391 2.049 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000571561698 299316452 /nfs/dbraw/zinc/31/64/52/299316452.db2.gz UIFNPLHUAFKATK-QGZVFWFLSA-N 2 1 288.391 2.049 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000675789338 540873987 /nfs/dbraw/zinc/87/39/87/540873987.db2.gz YTMDZRXIEJDGRM-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP CCCC[C@H](COC)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161628697 540897103 /nfs/dbraw/zinc/89/71/03/540897103.db2.gz YVUTXZYTEDZUFF-RRFJBIMHSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H](NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400459816 299319073 /nfs/dbraw/zinc/31/90/73/299319073.db2.gz RGRZVNXDCZSHFR-CGTJXYLNSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccncc1 ZINC000677239971 540995893 /nfs/dbraw/zinc/99/58/93/540995893.db2.gz BKTSXRYJUNCKBF-BMFZPTHFSA-N 2 1 259.397 2.402 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4c[nH]nc4c3)CC[C@@H]21 ZINC000180731992 189272636 /nfs/dbraw/zinc/27/26/36/189272636.db2.gz FOQWUTZPHRTOKV-RDJZCZTQSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)CC[C@@H]21 ZINC000180731992 189272637 /nfs/dbraw/zinc/27/26/37/189272637.db2.gz FOQWUTZPHRTOKV-RDJZCZTQSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)CC[C@@H]21 ZINC000180731992 189272638 /nfs/dbraw/zinc/27/26/38/189272638.db2.gz FOQWUTZPHRTOKV-RDJZCZTQSA-N 2 1 284.407 2.479 20 0 CEADMP CC[C@H](COC)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152891003 366719624 /nfs/dbraw/zinc/71/96/24/366719624.db2.gz UKBNACDDSDIOCD-MRXNPFEDSA-N 2 1 291.439 2.103 20 0 CEADMP CN1CCC[C@H](C[N@H+](C)CC[S@@](=O)c2ccccc2)C1 ZINC000152434797 366696441 /nfs/dbraw/zinc/69/64/41/366696441.db2.gz VPGHPXAEHJUVDP-YWZLYKJASA-N 2 1 294.464 2.068 20 0 CEADMP CN1CCC[C@H](C[N@@H+](C)CC[S@@](=O)c2ccccc2)C1 ZINC000152434797 366696447 /nfs/dbraw/zinc/69/64/47/366696447.db2.gz VPGHPXAEHJUVDP-YWZLYKJASA-N 2 1 294.464 2.068 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000154374831 366770770 /nfs/dbraw/zinc/77/07/70/366770770.db2.gz FUMGIBRYQGDZMQ-HNNXBMFYSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@H]1C1CC1 ZINC000154374831 366770775 /nfs/dbraw/zinc/77/07/75/366770775.db2.gz FUMGIBRYQGDZMQ-HNNXBMFYSA-N 2 1 263.385 2.083 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000340124864 366778870 /nfs/dbraw/zinc/77/88/70/366778870.db2.gz HHRMQKDOVPHOIG-OAGGEKHMSA-N 2 1 295.471 2.132 20 0 CEADMP COCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154714131 366786501 /nfs/dbraw/zinc/78/65/01/366786501.db2.gz KAYYTLWHQGVCKX-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP COCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154714131 366786506 /nfs/dbraw/zinc/78/65/06/366786506.db2.gz KAYYTLWHQGVCKX-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000154878348 366795579 /nfs/dbraw/zinc/79/55/79/366795579.db2.gz AOKFDZXQVDNPAS-AWEZNQCLSA-N 2 1 284.444 2.033 20 0 CEADMP Cc1ccc(C[C@@H]2CCC[N@@H+](CCOCC[NH3+])C2)cc1 ZINC000581824811 366823608 /nfs/dbraw/zinc/82/36/08/366823608.db2.gz BXACTUDGBYSRFY-KRWDZBQOSA-N 2 1 276.424 2.225 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCNC(C)(C)C(=O)Nc1ccccc1 ZINC000678078895 541078699 /nfs/dbraw/zinc/07/86/99/541078699.db2.gz ZDFIXZOQMGFORC-OAHLLOKOSA-N 2 1 289.423 2.478 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000678078895 541078703 /nfs/dbraw/zinc/07/87/03/541078703.db2.gz ZDFIXZOQMGFORC-OAHLLOKOSA-N 2 1 289.423 2.478 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000678078895 541078706 /nfs/dbraw/zinc/07/87/06/541078706.db2.gz ZDFIXZOQMGFORC-OAHLLOKOSA-N 2 1 289.423 2.478 20 0 CEADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000571797147 299329001 /nfs/dbraw/zinc/32/90/01/299329001.db2.gz IWBPDWPVVKAVAU-LSDHHAIUSA-N 2 1 283.460 2.083 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000155989716 366826022 /nfs/dbraw/zinc/82/60/22/366826022.db2.gz LFUHVAHTMQEHDU-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000155989716 366826026 /nfs/dbraw/zinc/82/60/26/366826026.db2.gz LFUHVAHTMQEHDU-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000155989716 366826029 /nfs/dbraw/zinc/82/60/29/366826029.db2.gz LFUHVAHTMQEHDU-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP COCC[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000184750632 189394786 /nfs/dbraw/zinc/39/47/86/189394786.db2.gz VVCQEILCXZXFBW-FKEKPDDDSA-N 2 1 276.424 2.379 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000020030341 361574277 /nfs/dbraw/zinc/57/42/77/361574277.db2.gz QUTRWHQTXOTLQV-UHFFFAOYSA-N 2 1 286.379 2.494 20 0 CEADMP CC1(C)C[N@@H+](CCCn2ccnc2)C(C)(C)CO1 ZINC000678882525 541187594 /nfs/dbraw/zinc/18/75/94/541187594.db2.gz HFEUYALWKVQUNS-UHFFFAOYSA-N 2 1 251.374 2.163 20 0 CEADMP C[C@H](CCCCO)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000679331865 541257396 /nfs/dbraw/zinc/25/73/96/541257396.db2.gz CHNHODGSKAMQGD-KFWWJZLASA-N 2 1 256.434 2.390 20 0 CEADMP C[C@H](CCCCO)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000679331865 541257398 /nfs/dbraw/zinc/25/73/98/541257398.db2.gz CHNHODGSKAMQGD-KFWWJZLASA-N 2 1 256.434 2.390 20 0 CEADMP COc1ccccc1C[C@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000088204419 363882295 /nfs/dbraw/zinc/88/22/95/363882295.db2.gz JANUKHMPPNUIJO-LBPRGKRZSA-N 2 1 250.386 2.295 20 0 CEADMP COc1ccccc1C[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000088204419 363882297 /nfs/dbraw/zinc/88/22/97/363882297.db2.gz JANUKHMPPNUIJO-LBPRGKRZSA-N 2 1 250.386 2.295 20 0 CEADMP Cc1ccc(CN[C@H]2C[N@@H+](C)C[C@@H]2C)c(N2CCCC2)n1 ZINC000679720701 541312642 /nfs/dbraw/zinc/31/26/42/541312642.db2.gz AYSWDKAOBCXTFJ-BBRMVZONSA-N 2 1 288.439 2.030 20 0 CEADMP Cc1ccc(CN[C@H]2C[N@H+](C)C[C@@H]2C)c(N2CCCC2)n1 ZINC000679720701 541312647 /nfs/dbraw/zinc/31/26/47/541312647.db2.gz AYSWDKAOBCXTFJ-BBRMVZONSA-N 2 1 288.439 2.030 20 0 CEADMP C[C@H](NC(=O)Nc1ccc2nccn2c1)C1=CC[N@@H+](C)CC1 ZINC000679727937 541313155 /nfs/dbraw/zinc/31/31/55/541313155.db2.gz GOKPGCFAVDGFCW-LBPRGKRZSA-N 2 1 299.378 2.106 20 0 CEADMP CCc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)o1 ZINC000093132962 364143444 /nfs/dbraw/zinc/14/34/44/364143444.db2.gz YFDWYUQRTDXFND-HNNXBMFYSA-N 2 1 291.439 2.054 20 0 CEADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(n1)CCC2 ZINC000334646536 364128509 /nfs/dbraw/zinc/12/85/09/364128509.db2.gz YDOBISGQYFJEBQ-GUYCJALGSA-N 2 1 273.424 2.342 20 0 CEADMP C[N@H+](Cc1ccc([S@](C)=O)cc1)CC1CC[NH+](C)CC1 ZINC000093089278 364139117 /nfs/dbraw/zinc/13/91/17/364139117.db2.gz FIMYFNIHIVUSJS-HXUWFJFHSA-N 2 1 294.464 2.198 20 0 CEADMP C[N@H+](Cc1cnn(C(C)(C)C)c1)CC1CC[NH+](C)CC1 ZINC000093089352 364139822 /nfs/dbraw/zinc/13/98/22/364139822.db2.gz HFMFHTOYYKPOTQ-UHFFFAOYSA-N 2 1 278.444 2.412 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000093453224 364184475 /nfs/dbraw/zinc/18/44/75/364184475.db2.gz ONRCEQOJVZUKGM-WCXIOVBPSA-N 3 1 279.472 2.229 20 0 CEADMP C[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000237466967 370723984 /nfs/dbraw/zinc/72/39/84/370723984.db2.gz ZJZFKSPSLFEFQI-ZIAGYGMSSA-N 2 1 289.423 2.024 20 0 CEADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000237639550 370740621 /nfs/dbraw/zinc/74/06/21/370740621.db2.gz DPYLUJIBCXTNTM-STQMWFEESA-N 2 1 299.378 2.032 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000237718406 370747707 /nfs/dbraw/zinc/74/77/07/370747707.db2.gz KUFDFHMKGXSJEO-YOEHRIQHSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000237717932 370748357 /nfs/dbraw/zinc/74/83/57/370748357.db2.gz BEVWTAQLDOKGRM-AWEZNQCLSA-N 2 1 295.471 2.275 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000093873156 364236913 /nfs/dbraw/zinc/23/69/13/364236913.db2.gz VMVKIUWVCLCJPV-UHFFFAOYSA-N 2 1 263.385 2.062 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1N(C)C ZINC000093941575 364242048 /nfs/dbraw/zinc/24/20/48/364242048.db2.gz ONAYHCNUJOARMZ-ZDUSSCGKSA-N 2 1 261.413 2.497 20 0 CEADMP C[N@@H+](CCOc1ccccc1F)CC1CC[NH2+]CC1 ZINC000094024652 364248209 /nfs/dbraw/zinc/24/82/09/364248209.db2.gz HEQDPSXYFYPTKD-UHFFFAOYSA-N 2 1 266.360 2.136 20 0 CEADMP c1csc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000094970026 364319997 /nfs/dbraw/zinc/31/99/97/364319997.db2.gz UAYPTQUJBGGCFM-GFCCVEGCSA-N 2 1 251.399 2.107 20 0 CEADMP c1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)oc1C1CC1 ZINC000334996654 364328153 /nfs/dbraw/zinc/32/81/53/364328153.db2.gz QZGNAUAJEFQGAH-UHFFFAOYSA-N 2 1 261.369 2.128 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000335004409 364338784 /nfs/dbraw/zinc/33/87/84/364338784.db2.gz XXQIAXYPGYQQPQ-TZMCWYRMSA-N 2 1 272.396 2.202 20 0 CEADMP Oc1cc(F)cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000334867440 364279923 /nfs/dbraw/zinc/27/99/23/364279923.db2.gz FQFHZTBEZXHWAC-BBRMVZONSA-N 2 1 278.371 2.495 20 0 CEADMP Oc1cc(F)cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000334867440 364279927 /nfs/dbraw/zinc/27/99/27/364279927.db2.gz FQFHZTBEZXHWAC-BBRMVZONSA-N 2 1 278.371 2.495 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000335025375 364368446 /nfs/dbraw/zinc/36/84/46/364368446.db2.gz JTCIUXJARGIEBJ-UONOGXRCSA-N 2 1 258.369 2.084 20 0 CEADMP CC[N@H+](C)CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000582011852 366850601 /nfs/dbraw/zinc/85/06/01/366850601.db2.gz OVIVOAKJYYULIQ-AWEZNQCLSA-N 2 1 297.830 2.011 20 0 CEADMP CC[N@@H+](C)CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000582011852 366850606 /nfs/dbraw/zinc/85/06/06/366850606.db2.gz OVIVOAKJYYULIQ-AWEZNQCLSA-N 2 1 297.830 2.011 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCOCC(F)(F)F)CC[C@@H]21 ZINC000158706693 366860183 /nfs/dbraw/zinc/86/01/83/366860183.db2.gz ZYNJLPLGNPUZEL-OLZOCXBDSA-N 2 1 294.361 2.372 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCOCC(F)(F)F)CC[C@@H]21 ZINC000158706693 366860188 /nfs/dbraw/zinc/86/01/88/366860188.db2.gz ZYNJLPLGNPUZEL-OLZOCXBDSA-N 2 1 294.361 2.372 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCOCC(F)(F)F)CC[C@@H]21 ZINC000158706693 366860192 /nfs/dbraw/zinc/86/01/92/366860192.db2.gz ZYNJLPLGNPUZEL-OLZOCXBDSA-N 2 1 294.361 2.372 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000335188082 364597380 /nfs/dbraw/zinc/59/73/80/364597380.db2.gz FFUVIFBYBNWWSE-DGCLKSJQSA-N 2 1 258.369 2.325 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000335188082 364597386 /nfs/dbraw/zinc/59/73/86/364597386.db2.gz FFUVIFBYBNWWSE-DGCLKSJQSA-N 2 1 258.369 2.325 20 0 CEADMP C[C@H]1CCC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000335641430 212357411 /nfs/dbraw/zinc/35/74/11/212357411.db2.gz DWTRSMVXMNPAPQ-SOEBMCCKSA-N 2 1 279.472 2.371 20 0 CEADMP Cc1cccnc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335631913 212345253 /nfs/dbraw/zinc/34/52/53/212345253.db2.gz CLEVBBGBAVAYNV-HUUCEWRRSA-N 2 1 259.397 2.212 20 0 CEADMP COC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CCCC1 ZINC000335752926 364932059 /nfs/dbraw/zinc/93/20/59/364932059.db2.gz ZODGUZAAFHMPER-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC000273061233 541438704 /nfs/dbraw/zinc/43/87/04/541438704.db2.gz HUFFQAONXLKJDT-QGZVFWFLSA-N 2 1 295.390 2.304 20 0 CEADMP c1csc([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000335865984 365089583 /nfs/dbraw/zinc/08/95/83/365089583.db2.gz DAMCPRNCXUJNJM-OLZOCXBDSA-N 2 1 265.426 2.322 20 0 CEADMP Cc1nc(C)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)s1 ZINC000335917580 365159478 /nfs/dbraw/zinc/15/94/78/365159478.db2.gz IPPJTBGEQUXLIW-AWEZNQCLSA-N 2 1 265.426 2.288 20 0 CEADMP Cc1nc(C)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)s1 ZINC000335917580 365159481 /nfs/dbraw/zinc/15/94/81/365159481.db2.gz IPPJTBGEQUXLIW-AWEZNQCLSA-N 2 1 265.426 2.288 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)s1 ZINC000335917580 365159483 /nfs/dbraw/zinc/15/94/83/365159483.db2.gz IPPJTBGEQUXLIW-AWEZNQCLSA-N 2 1 265.426 2.288 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)s1 ZINC000335917580 365159486 /nfs/dbraw/zinc/15/94/86/365159486.db2.gz IPPJTBGEQUXLIW-AWEZNQCLSA-N 2 1 265.426 2.288 20 0 CEADMP C[N@H+]1CC=C(C[NH2+]Cc2nc3ccccc3o2)CC1 ZINC000638838628 370788676 /nfs/dbraw/zinc/78/86/76/370788676.db2.gz NAMUYFFRKOMQSU-UHFFFAOYSA-N 2 1 257.337 2.179 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2nc3ccccc3o2)CC1 ZINC000638838628 370788680 /nfs/dbraw/zinc/78/86/80/370788680.db2.gz NAMUYFFRKOMQSU-UHFFFAOYSA-N 2 1 257.337 2.179 20 0 CEADMP [NH3+]CCOCC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000357099695 370805323 /nfs/dbraw/zinc/80/53/23/370805323.db2.gz CVKVMCBJWSRAET-MRXNPFEDSA-N 2 1 260.381 2.114 20 0 CEADMP CCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119563170 365291831 /nfs/dbraw/zinc/29/18/31/365291831.db2.gz RYLVOEYJWCPHQB-XYPWUTKMSA-N 2 1 265.445 2.029 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cnn(C)c1 ZINC000119644499 365302792 /nfs/dbraw/zinc/30/27/92/365302792.db2.gz SCALFQFTHRMHPK-HNNXBMFYSA-N 2 1 262.401 2.088 20 0 CEADMP COC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119688233 365312511 /nfs/dbraw/zinc/31/25/11/365312511.db2.gz DGYVZSWVEYHVEM-QGZVFWFLSA-N 2 1 288.435 2.461 20 0 CEADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c(C(F)F)n1 ZINC000336032984 365318082 /nfs/dbraw/zinc/31/80/82/365318082.db2.gz DOODIMWWXYWUJS-UHFFFAOYSA-N 2 1 298.381 2.418 20 0 CEADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)c(C(F)F)n1 ZINC000336032984 365318089 /nfs/dbraw/zinc/31/80/89/365318089.db2.gz DOODIMWWXYWUJS-UHFFFAOYSA-N 2 1 298.381 2.418 20 0 CEADMP C[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000119784937 365325077 /nfs/dbraw/zinc/32/50/77/365325077.db2.gz PIMRJWLVDBQDFV-YOEHRIQHSA-N 2 1 274.408 2.418 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)CC[C@H]1[NH3+] ZINC000336055050 365347483 /nfs/dbraw/zinc/34/74/83/365347483.db2.gz YXPNBLPPPXCVFI-SMDDNHRTSA-N 2 1 271.364 2.110 20 0 CEADMP C[N@H+](C[C@H](O)c1ccccc1Cl)C[C@H]1CC[NH+](C)C1 ZINC000121051290 365516939 /nfs/dbraw/zinc/51/69/39/365516939.db2.gz WSYGRKIXCSKZCM-WFASDCNBSA-N 2 1 282.815 2.257 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccccc1Cl)C[C@H]1CC[NH+](C)C1 ZINC000121051290 365516943 /nfs/dbraw/zinc/51/69/43/365516943.db2.gz WSYGRKIXCSKZCM-WFASDCNBSA-N 2 1 282.815 2.257 20 0 CEADMP C[NH+](C[C@H](O)c1ccccc1Cl)C[C@H]1CC[N@H+](C)C1 ZINC000121051290 365516947 /nfs/dbraw/zinc/51/69/47/365516947.db2.gz WSYGRKIXCSKZCM-WFASDCNBSA-N 2 1 282.815 2.257 20 0 CEADMP C[NH+](C[C@H](O)c1ccccc1Cl)C[C@H]1CC[N@@H+](C)C1 ZINC000121051290 365516951 /nfs/dbraw/zinc/51/69/51/365516951.db2.gz WSYGRKIXCSKZCM-WFASDCNBSA-N 2 1 282.815 2.257 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CCCCC2)[C@H](C)C1 ZINC000340486640 366903895 /nfs/dbraw/zinc/90/38/95/366903895.db2.gz TVITYSMSMRKYMR-OIISXLGYSA-N 2 1 282.472 2.495 20 0 CEADMP CCC(CC)(C[NH2+]CCCn1cc[nH+]c1C)C(=O)OC ZINC000120839916 365482683 /nfs/dbraw/zinc/48/26/83/365482683.db2.gz LPBHZRPUIIKEDI-UHFFFAOYSA-N 2 1 281.400 2.151 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000681089103 541502183 /nfs/dbraw/zinc/50/21/83/541502183.db2.gz IDEMKAGJUJGAKZ-GFCCVEGCSA-N 2 1 263.385 2.075 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000582993939 366986322 /nfs/dbraw/zinc/98/63/22/366986322.db2.gz BPIJLIGDYJVSPS-ILXRZTDVSA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000582993939 366986326 /nfs/dbraw/zinc/98/63/26/366986326.db2.gz BPIJLIGDYJVSPS-ILXRZTDVSA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000582993939 366986335 /nfs/dbraw/zinc/98/63/35/366986335.db2.gz BPIJLIGDYJVSPS-ILXRZTDVSA-N 2 1 267.461 2.322 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCC[C@H]1CN1CCCC1)C[NH2+]CC2 ZINC000583029185 366992310 /nfs/dbraw/zinc/99/23/10/366992310.db2.gz DVYMWXLHROTLSV-IBGZPJMESA-N 2 1 299.462 2.393 20 0 CEADMP c1cc2c(cc1C[N@@H+]1CCC[C@H]1CN1CCCC1)C[NH2+]CC2 ZINC000583029185 366992314 /nfs/dbraw/zinc/99/23/14/366992314.db2.gz DVYMWXLHROTLSV-IBGZPJMESA-N 2 1 299.462 2.393 20 0 CEADMP CCCc1ncc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)o1 ZINC000583625171 367074553 /nfs/dbraw/zinc/07/45/53/367074553.db2.gz ODRFKVCCLWYPMY-YPMHNXCESA-N 2 1 251.374 2.105 20 0 CEADMP COC[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)CC1 ZINC000583639676 367076695 /nfs/dbraw/zinc/07/66/95/367076695.db2.gz OJSBSNBOTDYHFC-CQSZACIVSA-N 2 1 265.401 2.101 20 0 CEADMP COC[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)CC1 ZINC000583639676 367076700 /nfs/dbraw/zinc/07/67/00/367076700.db2.gz OJSBSNBOTDYHFC-CQSZACIVSA-N 2 1 265.401 2.101 20 0 CEADMP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000584002422 367127868 /nfs/dbraw/zinc/12/78/68/367127868.db2.gz ZIWKCJYKOFQHGK-ZDUSSCGKSA-N 2 1 290.398 2.247 20 0 CEADMP Cc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1Br ZINC000162004800 367129896 /nfs/dbraw/zinc/12/98/96/367129896.db2.gz MXVVENVYVBGNLD-VIFPVBQESA-N 2 1 257.175 2.194 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000584053856 367135586 /nfs/dbraw/zinc/13/55/86/367135586.db2.gz FNWHKMZFOAIKJI-CYBMUJFWSA-N 2 1 270.380 2.109 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000584053856 367135590 /nfs/dbraw/zinc/13/55/90/367135590.db2.gz FNWHKMZFOAIKJI-CYBMUJFWSA-N 2 1 270.380 2.109 20 0 CEADMP C[C@@H](Cc1ccsc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000162146703 367140385 /nfs/dbraw/zinc/14/03/85/367140385.db2.gz QJUCZMDQNXVKGZ-HNNXBMFYSA-N 2 1 295.496 2.248 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@@H]1CCc2ccccc21)C1CC1 ZINC000583867567 367107798 /nfs/dbraw/zinc/10/77/98/367107798.db2.gz SCDGUWLWICBBGC-DOTOQJQBSA-N 2 1 288.435 2.151 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@@H]1CCc2ccccc21)C1CC1 ZINC000583867567 367107802 /nfs/dbraw/zinc/10/78/02/367107802.db2.gz SCDGUWLWICBBGC-DOTOQJQBSA-N 2 1 288.435 2.151 20 0 CEADMP CCc1cccc(C[N@@H+](CCO)C2CCN(C)CC2)c1 ZINC000584564039 367173089 /nfs/dbraw/zinc/17/30/89/367173089.db2.gz LQKKEBVACWSXBT-UHFFFAOYSA-N 2 1 276.424 2.138 20 0 CEADMP Cc1cccnc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245546938 370836614 /nfs/dbraw/zinc/83/66/14/370836614.db2.gz WVQFWJVXXUZXJX-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccnc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245546938 370836621 /nfs/dbraw/zinc/83/66/21/370836621.db2.gz WVQFWJVXXUZXJX-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccnc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245546938 370836627 /nfs/dbraw/zinc/83/66/27/370836627.db2.gz WVQFWJVXXUZXJX-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@H](C)[NH2+]C(C)(C)CC)C[C@@H]1C ZINC000357578957 370823080 /nfs/dbraw/zinc/82/30/80/370823080.db2.gz GFBILZGQQFYOMV-IHRRRGAJSA-N 2 1 283.460 2.094 20 0 CEADMP CCCCNC(=O)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000341145294 367195202 /nfs/dbraw/zinc/19/52/02/367195202.db2.gz ARXXGKFJNPZTJS-UHFFFAOYSA-N 2 1 295.471 2.243 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](CNc2ccccn2)C1 ZINC000163459057 367242619 /nfs/dbraw/zinc/24/26/19/367242619.db2.gz IVYSOLHXHXQMBL-CVEARBPZSA-N 2 1 288.439 2.300 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000163459057 367242624 /nfs/dbraw/zinc/24/26/24/367242624.db2.gz IVYSOLHXHXQMBL-CVEARBPZSA-N 2 1 288.439 2.300 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000163459057 367242627 /nfs/dbraw/zinc/24/26/27/367242627.db2.gz IVYSOLHXHXQMBL-CVEARBPZSA-N 2 1 288.439 2.300 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000166886344 367331493 /nfs/dbraw/zinc/33/14/93/367331493.db2.gz WEFHIVANQPYOIY-LLVKDONJSA-N 2 1 298.228 2.276 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000166886344 367331501 /nfs/dbraw/zinc/33/15/01/367331501.db2.gz WEFHIVANQPYOIY-LLVKDONJSA-N 2 1 298.228 2.276 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)CC(N)=O)cc1 ZINC000166671637 367327229 /nfs/dbraw/zinc/32/72/29/367327229.db2.gz WHSVPPIYEQELMI-NEPJUHHUSA-N 2 1 286.379 2.095 20 0 CEADMP CN(CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000342101506 367385286 /nfs/dbraw/zinc/38/52/86/367385286.db2.gz LBIYGOKRQWWHSX-XIRDDKMYSA-N 2 1 273.424 2.182 20 0 CEADMP COc1c[nH+]ccc1N1CC[NH+](CCCCCF)CC1 ZINC000342174032 367390691 /nfs/dbraw/zinc/39/06/91/367390691.db2.gz TYJAOKIWXFOWHR-UHFFFAOYSA-N 2 1 281.375 2.352 20 0 CEADMP COc1cccc2c1OCCC[C@H]2[NH2+]CCC[NH+](C)C ZINC000631561971 367402661 /nfs/dbraw/zinc/40/26/61/367402661.db2.gz UPANCRAKCCIWDO-CQSZACIVSA-N 2 1 278.396 2.450 20 0 CEADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C)n1 ZINC000631827975 367566227 /nfs/dbraw/zinc/56/62/27/367566227.db2.gz BGCJLKJLDXWMRJ-ABAIWWIYSA-N 2 1 261.413 2.424 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2(O)CCC2)[C@@H](C)C1 ZINC000342808323 367549938 /nfs/dbraw/zinc/54/99/38/367549938.db2.gz BNCURDBJAWMKFB-JKSUJKDBSA-N 2 1 298.471 2.018 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3C)C2)CC1 ZINC000171528996 367560933 /nfs/dbraw/zinc/56/09/33/367560933.db2.gz FUZWRBDQSCNDPF-SFHVURJKSA-N 2 1 287.451 2.207 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCc2cccc3c2OC(F)(F)O3)C1 ZINC000631823294 367561373 /nfs/dbraw/zinc/56/13/73/367561373.db2.gz AMUWLTZBWWWTBQ-ZYHUDNBSSA-N 2 1 298.333 2.220 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000631755637 367524087 /nfs/dbraw/zinc/52/40/87/367524087.db2.gz DQHIVOSQTJMABK-CHWFTXMASA-N 2 1 250.308 2.257 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000631755637 367524095 /nfs/dbraw/zinc/52/40/95/367524095.db2.gz DQHIVOSQTJMABK-CHWFTXMASA-N 2 1 250.308 2.257 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000631838522 367578758 /nfs/dbraw/zinc/57/87/58/367578758.db2.gz PTIOMTIZLHDJPX-VXGBXAGGSA-N 2 1 295.814 2.195 20 0 CEADMP COc1cccc(CCC[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631840265 367582001 /nfs/dbraw/zinc/58/20/01/367582001.db2.gz QZWTVNDKBQGBOA-DZGCQCFKSA-N 2 1 262.397 2.154 20 0 CEADMP c1cc(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc2c1OCC2 ZINC000631886626 367608350 /nfs/dbraw/zinc/60/83/50/367608350.db2.gz IKZWADUGOMZUQL-IRXDYDNUSA-N 2 1 286.419 2.238 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccnc4ccccc34)C[C@@H]2C1 ZINC000572578372 299380271 /nfs/dbraw/zinc/38/02/71/299380271.db2.gz SLJZRVBDJCXKJP-GASCZTMLSA-N 2 1 267.376 2.228 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCC[NH+](C)C2CCCCC2)C1 ZINC000343788169 368004350 /nfs/dbraw/zinc/00/43/50/368004350.db2.gz UWLXOJXSWLICTC-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NCC[N@H+](C)C2CCCCC2)C1 ZINC000343788169 368004355 /nfs/dbraw/zinc/00/43/55/368004355.db2.gz UWLXOJXSWLICTC-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NCC[N@@H+](C)C2CCCCC2)C1 ZINC000343788169 368004360 /nfs/dbraw/zinc/00/43/60/368004360.db2.gz UWLXOJXSWLICTC-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@@H](NCC[NH+](C)C2CCCCC2)C1 ZINC000343788174 368004410 /nfs/dbraw/zinc/00/44/10/368004410.db2.gz UWLXOJXSWLICTC-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1C[C@@H](C)[C@@H](NCC[N@H+](C)C2CCCCC2)C1 ZINC000343788174 368004415 /nfs/dbraw/zinc/00/44/15/368004415.db2.gz UWLXOJXSWLICTC-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1C[C@@H](C)[C@@H](NCC[N@@H+](C)C2CCCCC2)C1 ZINC000343788174 368004420 /nfs/dbraw/zinc/00/44/20/368004420.db2.gz UWLXOJXSWLICTC-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H](CCO)C1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000344282679 368118422 /nfs/dbraw/zinc/11/84/22/368118422.db2.gz FSDGSCOJOZPBSZ-QLFBSQMISA-N 2 1 268.445 2.105 20 0 CEADMP COCCOc1ccccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000345176846 368181845 /nfs/dbraw/zinc/18/18/45/368181845.db2.gz RLRDFNIPINLFSY-UHFFFAOYSA-N 2 1 290.407 2.063 20 0 CEADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cnn(C)c1 ZINC000183949414 296117833 /nfs/dbraw/zinc/11/78/33/296117833.db2.gz RRDQMPIXXBDVGP-CYBMUJFWSA-N 2 1 264.417 2.193 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)[C@@H](C)C1 ZINC000346192514 368585719 /nfs/dbraw/zinc/58/57/19/368585719.db2.gz NLKKWISDVXNLQR-ZNMIVQPWSA-N 2 1 290.407 2.146 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182828474 368593444 /nfs/dbraw/zinc/59/34/44/368593444.db2.gz HJNWEOHSJZKWAD-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182828474 368593447 /nfs/dbraw/zinc/59/34/47/368593447.db2.gz HJNWEOHSJZKWAD-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182828474 368593452 /nfs/dbraw/zinc/59/34/52/368593452.db2.gz HJNWEOHSJZKWAD-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CO[C@]1(C)C[C@H]([N@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346279448 368619200 /nfs/dbraw/zinc/61/92/00/368619200.db2.gz PVMRLHLXZVZQHJ-DZGCQCFKSA-N 2 1 265.401 2.327 20 0 CEADMP CO[C@]1(C)C[C@H]([N@@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346279448 368619204 /nfs/dbraw/zinc/61/92/04/368619204.db2.gz PVMRLHLXZVZQHJ-DZGCQCFKSA-N 2 1 265.401 2.327 20 0 CEADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC ZINC000183877536 368655772 /nfs/dbraw/zinc/65/57/72/368655772.db2.gz HQNOEVIAOHNGKH-CHWSQXEVSA-N 2 1 270.417 2.038 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000246279866 370940380 /nfs/dbraw/zinc/94/03/80/370940380.db2.gz BKIDBJIAGUYXHZ-YLFCFFPRSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000246279866 370940388 /nfs/dbraw/zinc/94/03/88/370940388.db2.gz BKIDBJIAGUYXHZ-YLFCFFPRSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000246279866 370940393 /nfs/dbraw/zinc/94/03/93/370940393.db2.gz BKIDBJIAGUYXHZ-YLFCFFPRSA-N 2 1 281.488 2.425 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1C ZINC000346682834 368767707 /nfs/dbraw/zinc/76/77/07/368767707.db2.gz PZHUFEYZBJVFNI-RISCZKNCSA-N 2 1 264.417 2.079 20 0 CEADMP Cc1cccn2c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cnc12 ZINC000346688673 368771175 /nfs/dbraw/zinc/77/11/75/368771175.db2.gz YJXIJVKLYZZZFF-OAHLLOKOSA-N 2 1 274.412 2.448 20 0 CEADMP Cc1cccn2c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cnc12 ZINC000346688673 368771181 /nfs/dbraw/zinc/77/11/81/368771181.db2.gz YJXIJVKLYZZZFF-OAHLLOKOSA-N 2 1 274.412 2.448 20 0 CEADMP CC(C)Cn1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cn1 ZINC000346688638 368771918 /nfs/dbraw/zinc/77/19/18/368771918.db2.gz YEIBGOJYXLFINO-OAHLLOKOSA-N 2 1 266.433 2.344 20 0 CEADMP CC(C)Cn1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cn1 ZINC000346688638 368771922 /nfs/dbraw/zinc/77/19/22/368771922.db2.gz YEIBGOJYXLFINO-OAHLLOKOSA-N 2 1 266.433 2.344 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000346640298 368746954 /nfs/dbraw/zinc/74/69/54/368746954.db2.gz AWMQULCMGXZVNC-MRXNPFEDSA-N 2 1 287.411 2.073 20 0 CEADMP Cc1cccc2ncc(C[N@@H+](C)CC(C)(C)C[NH3+])n21 ZINC000346692848 368774914 /nfs/dbraw/zinc/77/49/14/368774914.db2.gz JIMPFLOGAHZLNS-UHFFFAOYSA-N 2 1 260.385 2.059 20 0 CEADMP Cc1cccc2ncc(C[N@H+](C)CC(C)(C)C[NH3+])n21 ZINC000346692848 368774916 /nfs/dbraw/zinc/77/49/16/368774916.db2.gz JIMPFLOGAHZLNS-UHFFFAOYSA-N 2 1 260.385 2.059 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000346655453 368755037 /nfs/dbraw/zinc/75/50/37/368755037.db2.gz RVCOPFMLGWSZHQ-HIFRSBDPSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000346659646 368757605 /nfs/dbraw/zinc/75/76/05/368757605.db2.gz VHKXEGQXRPCKRT-HIFRSBDPSA-N 2 1 284.407 2.256 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3ncccc23)CC[C@H]1[NH3+] ZINC000634687605 368815387 /nfs/dbraw/zinc/81/53/87/368815387.db2.gz RQGOOJZNTUDADJ-IUODEOHRSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)O1 ZINC000634688377 368817043 /nfs/dbraw/zinc/81/70/43/368817043.db2.gz QNFNGQLKCHHVQG-DDHJBXDOSA-N 2 1 280.334 2.013 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)O1 ZINC000634688377 368817048 /nfs/dbraw/zinc/81/70/48/368817048.db2.gz QNFNGQLKCHHVQG-DDHJBXDOSA-N 2 1 280.334 2.013 20 0 CEADMP O[C@@]1(C[NH2+]CC2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634643025 368793374 /nfs/dbraw/zinc/79/33/74/368793374.db2.gz VHJVQOPBXMRZFR-QGZVFWFLSA-N 2 1 274.408 2.013 20 0 CEADMP O[C@@]1(C[NH2+]CC2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634643025 368793376 /nfs/dbraw/zinc/79/33/76/368793376.db2.gz VHJVQOPBXMRZFR-QGZVFWFLSA-N 2 1 274.408 2.013 20 0 CEADMP CN(C)c1cccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC000346987074 368795708 /nfs/dbraw/zinc/79/57/08/368795708.db2.gz QPVQYSGZHFEYBY-HNNXBMFYSA-N 2 1 261.413 2.184 20 0 CEADMP CCOC(=O)CC(C)(C)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348077098 368887216 /nfs/dbraw/zinc/88/72/16/368887216.db2.gz QQBDYEYIFDXHOJ-ZDUSSCGKSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CC(C)(C)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348077098 368887219 /nfs/dbraw/zinc/88/72/19/368887219.db2.gz QQBDYEYIFDXHOJ-ZDUSSCGKSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CC(C)(C)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348077098 368887225 /nfs/dbraw/zinc/88/72/25/368887225.db2.gz QQBDYEYIFDXHOJ-ZDUSSCGKSA-N 2 1 270.417 2.134 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)c2c1C ZINC000634810871 368899031 /nfs/dbraw/zinc/89/90/31/368899031.db2.gz LBZLGMAIYJQDBB-NRUUGDAUSA-N 2 1 287.411 2.384 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CCC2CCCCCC2)C1 ZINC000348260018 368973236 /nfs/dbraw/zinc/97/32/36/368973236.db2.gz IJIPQVBFWFPKSS-OAHLLOKOSA-N 2 1 254.418 2.003 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]CCC2CCCCCC2)C1 ZINC000348260018 368973238 /nfs/dbraw/zinc/97/32/38/368973238.db2.gz IJIPQVBFWFPKSS-OAHLLOKOSA-N 2 1 254.418 2.003 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000348165719 368930022 /nfs/dbraw/zinc/93/00/22/368930022.db2.gz YXSDATXRJDIXSE-RRFJBIMHSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000348318345 369000080 /nfs/dbraw/zinc/00/00/80/369000080.db2.gz KFPLPMMPZSZXNE-YOEHRIQHSA-N 2 1 291.439 2.379 20 0 CEADMP C([N@@H+]1CCS[C@@H]2CCCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634992962 369022479 /nfs/dbraw/zinc/02/24/79/369022479.db2.gz HQZSQGABFWKPMU-CEUNDQEZSA-N 2 1 252.427 2.098 20 0 CEADMP C([N@H+]1CCS[C@@H]2CCCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634992962 369022484 /nfs/dbraw/zinc/02/24/84/369022484.db2.gz HQZSQGABFWKPMU-CEUNDQEZSA-N 2 1 252.427 2.098 20 0 CEADMP COc1ccc2oc(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)cc2c1 ZINC000634998743 369031998 /nfs/dbraw/zinc/03/19/98/369031998.db2.gz KKRUCTNSMRPTRB-WCQYABFASA-N 2 1 274.364 2.468 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000635004541 369040501 /nfs/dbraw/zinc/04/05/01/369040501.db2.gz PMEYNKPTISONBG-NBOOPKSLSA-N 2 1 289.467 2.470 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000635004541 369040505 /nfs/dbraw/zinc/04/05/05/369040505.db2.gz PMEYNKPTISONBG-NBOOPKSLSA-N 3 1 289.467 2.470 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000635004541 369040512 /nfs/dbraw/zinc/04/05/12/369040512.db2.gz PMEYNKPTISONBG-NBOOPKSLSA-N 3 1 289.467 2.470 20 0 CEADMP C[C@@H]1C[C@H](NCC[C@@H]([NH3+])Cc2ccccc2)C[N@H+]1C1CC1 ZINC000635009073 369045691 /nfs/dbraw/zinc/04/56/91/369045691.db2.gz SSNZIIPGLNWXQD-OIISXLGYSA-N 2 1 287.451 2.161 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)CN1C1CC1 ZINC000635009073 369045694 /nfs/dbraw/zinc/04/56/94/369045694.db2.gz SSNZIIPGLNWXQD-OIISXLGYSA-N 2 1 287.451 2.161 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000635013435 369052813 /nfs/dbraw/zinc/05/28/13/369052813.db2.gz STBYHBOUNBZRGY-RHSMWYFYSA-N 2 1 290.455 2.182 20 0 CEADMP CC(C)CN(CC[NH+](C)C)C(=O)Cn1cc[nH+]c1C(C)C ZINC000635504690 369198568 /nfs/dbraw/zinc/19/85/68/369198568.db2.gz ZBKAUYAAHUJZKD-UHFFFAOYSA-N 2 1 294.443 2.053 20 0 CEADMP COCC[NH+](CCOC)C1CC[NH+](CC2(C)CCC2)CC1 ZINC000348870369 369186578 /nfs/dbraw/zinc/18/65/78/369186578.db2.gz SLKUEMNXCJMDFX-UHFFFAOYSA-N 2 1 298.471 2.236 20 0 CEADMP Cc1[nH]nc2ncc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc12 ZINC000348880510 369189546 /nfs/dbraw/zinc/18/95/46/369189546.db2.gz VUDSDSMYNLPKHJ-YIONKMFJSA-N 2 1 299.422 2.323 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc12 ZINC000348880510 369189549 /nfs/dbraw/zinc/18/95/49/369189549.db2.gz VUDSDSMYNLPKHJ-YIONKMFJSA-N 2 1 299.422 2.323 20 0 CEADMP Cc1[nH]nc2ncc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc12 ZINC000348880510 369189552 /nfs/dbraw/zinc/18/95/52/369189552.db2.gz VUDSDSMYNLPKHJ-YIONKMFJSA-N 2 1 299.422 2.323 20 0 CEADMP Cc1[nH]nc2ncc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc12 ZINC000348880510 369189556 /nfs/dbraw/zinc/18/95/56/369189556.db2.gz VUDSDSMYNLPKHJ-YIONKMFJSA-N 2 1 299.422 2.323 20 0 CEADMP COC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000187704779 369207143 /nfs/dbraw/zinc/20/71/43/369207143.db2.gz ARBFPQSLOJAPCQ-WBVHZDCISA-N 2 1 298.471 2.282 20 0 CEADMP COC[C@H](C)C[NH2+][C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000187713973 369207717 /nfs/dbraw/zinc/20/77/17/369207717.db2.gz CYUIIPXEVZZAGG-BYNSBNAKSA-N 2 1 256.434 2.225 20 0 CEADMP CC[C@@H](C)CN(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000349071694 369235254 /nfs/dbraw/zinc/23/52/54/369235254.db2.gz GUTSBKYAJHNKBB-CVEARBPZSA-N 2 1 269.477 2.380 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000349096263 369242860 /nfs/dbraw/zinc/24/28/60/369242860.db2.gz FOLLUFWWWGPIIK-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[C@](C)(O)c2ccccc2)CC[N@H+]1C ZINC000187892347 369245033 /nfs/dbraw/zinc/24/50/33/369245033.db2.gz WXOHQEFWKJZQLD-OIISXLGYSA-N 2 1 276.424 2.357 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)ccn1 ZINC000683017953 541752914 /nfs/dbraw/zinc/75/29/14/541752914.db2.gz IXRGFQMJFSHOJA-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)ccn1 ZINC000683017953 541752915 /nfs/dbraw/zinc/75/29/15/541752915.db2.gz IXRGFQMJFSHOJA-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H](C)C2)CC1 ZINC000187968232 369264063 /nfs/dbraw/zinc/26/40/63/369264063.db2.gz DELHKBBOWQNYKB-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CCOC1CC(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000353286012 220009156 /nfs/dbraw/zinc/00/91/56/220009156.db2.gz CAQAJGKYBZHFKI-URGYJCLVSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@@H+](CC(=O)N1CCCC12CC[NH+](C)CC2)CC(C)(C)C ZINC000635756891 369322817 /nfs/dbraw/zinc/32/28/17/369322817.db2.gz MESSPFLPWORMPM-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635947177 369417281 /nfs/dbraw/zinc/41/72/81/369417281.db2.gz GAHRUGILKLXOBB-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccccc3F)CC[C@H]21 ZINC000246384532 370953193 /nfs/dbraw/zinc/95/31/93/370953193.db2.gz AFWFRFVOXFQUIS-XYPHTWIQSA-N 2 1 292.398 2.275 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccccc3F)CC[C@H]21 ZINC000246384532 370953197 /nfs/dbraw/zinc/95/31/97/370953197.db2.gz AFWFRFVOXFQUIS-XYPHTWIQSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccccc3F)CC[C@H]21 ZINC000246384532 370953200 /nfs/dbraw/zinc/95/32/00/370953200.db2.gz AFWFRFVOXFQUIS-XYPHTWIQSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3F)CC[C@H]21 ZINC000246384532 370953202 /nfs/dbraw/zinc/95/32/02/370953202.db2.gz AFWFRFVOXFQUIS-XYPHTWIQSA-N 2 1 292.398 2.275 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCCCC1 ZINC000358223125 370957804 /nfs/dbraw/zinc/95/78/04/370957804.db2.gz ABKRLNYBQDBYFZ-DZGCQCFKSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCCCC1 ZINC000358223125 370957812 /nfs/dbraw/zinc/95/78/12/370957812.db2.gz ABKRLNYBQDBYFZ-DZGCQCFKSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358265620 370982620 /nfs/dbraw/zinc/98/26/20/370982620.db2.gz ZZWNSCPFBWSSNT-QAPCUYQASA-N 2 1 290.451 2.399 20 0 CEADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358265620 370982623 /nfs/dbraw/zinc/98/26/23/370982623.db2.gz ZZWNSCPFBWSSNT-QAPCUYQASA-N 2 1 290.451 2.399 20 0 CEADMP Clc1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000358266440 370982742 /nfs/dbraw/zinc/98/27/42/370982742.db2.gz MNKLGZUEPAHROF-KBPBESRZSA-N 2 1 295.814 2.330 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1(CC)CC ZINC000351605963 369644088 /nfs/dbraw/zinc/64/40/88/369644088.db2.gz SNMOAIJNTSVONT-OWCLPIDISA-N 2 1 298.471 2.015 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1(CC)CC ZINC000351605963 369644091 /nfs/dbraw/zinc/64/40/91/369644091.db2.gz SNMOAIJNTSVONT-OWCLPIDISA-N 2 1 298.471 2.015 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)C2CC2)CC1 ZINC000191404576 369709157 /nfs/dbraw/zinc/70/91/57/369709157.db2.gz IJXCVCMOEXXLGE-HNNXBMFYSA-N 2 1 267.461 2.133 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCO[C@H](C)C1 ZINC000352618405 369808613 /nfs/dbraw/zinc/80/86/13/369808613.db2.gz QAFCGVLUUOUWAG-FPCVCCKLSA-N 2 1 266.429 2.360 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000352540857 369778769 /nfs/dbraw/zinc/77/87/69/369778769.db2.gz QKYFSUCUITVPER-OAHLLOKOSA-N 2 1 276.428 2.241 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])o1 ZINC000352544428 369780301 /nfs/dbraw/zinc/78/03/01/369780301.db2.gz ALYILBYSXKSSSE-GFCCVEGCSA-N 2 1 280.368 2.160 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])o1 ZINC000352544428 369780303 /nfs/dbraw/zinc/78/03/03/369780303.db2.gz ALYILBYSXKSSSE-GFCCVEGCSA-N 2 1 280.368 2.160 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352545127 369780926 /nfs/dbraw/zinc/78/09/26/369780926.db2.gz GEMXXXVQBCNAJN-ZDUSSCGKSA-N 2 1 264.369 2.104 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352545127 369780934 /nfs/dbraw/zinc/78/09/34/369780934.db2.gz GEMXXXVQBCNAJN-ZDUSSCGKSA-N 2 1 264.369 2.104 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Br)o2)CC1 ZINC000276594582 193393660 /nfs/dbraw/zinc/39/36/60/193393660.db2.gz DZYMQNOJBHKWLK-UHFFFAOYSA-N 2 1 285.185 2.394 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(C)CCOCC2)s1 ZINC000352730820 369859532 /nfs/dbraw/zinc/85/95/32/369859532.db2.gz GEYAUPMDAOMCOW-UHFFFAOYSA-N 2 1 283.441 2.111 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352760979 369870882 /nfs/dbraw/zinc/87/08/82/369870882.db2.gz SBVLIHVHIUQLLF-AWEZNQCLSA-N 2 1 299.484 2.337 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc(O)cc2)s1 ZINC000352768497 369874956 /nfs/dbraw/zinc/87/49/56/369874956.db2.gz GEEOSPWDNBZLIB-UHFFFAOYSA-N 2 1 291.420 2.243 20 0 CEADMP O[C@@H](C[NH2+]C/C=C\c1ccc(F)c(F)c1)C[NH+]1CCCC1 ZINC000352810455 369888669 /nfs/dbraw/zinc/88/86/69/369888669.db2.gz CDUNYYPKCAXIAV-NQHOJNORSA-N 2 1 296.361 2.024 20 0 CEADMP CC(C)Oc1cccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193654408 369968047 /nfs/dbraw/zinc/96/80/47/369968047.db2.gz FDCKQRMCPHRVKH-IYBDPMFKSA-N 2 1 274.408 2.467 20 0 CEADMP CC(C)Oc1cccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193654408 369968048 /nfs/dbraw/zinc/96/80/48/369968048.db2.gz FDCKQRMCPHRVKH-IYBDPMFKSA-N 2 1 274.408 2.467 20 0 CEADMP CC(C)Oc1cccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193654408 369968051 /nfs/dbraw/zinc/96/80/51/369968051.db2.gz FDCKQRMCPHRVKH-IYBDPMFKSA-N 2 1 274.408 2.467 20 0 CEADMP CC(C)Oc1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193654408 369968053 /nfs/dbraw/zinc/96/80/53/369968053.db2.gz FDCKQRMCPHRVKH-IYBDPMFKSA-N 2 1 274.408 2.467 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193272011 369913802 /nfs/dbraw/zinc/91/38/02/369913802.db2.gz GVFHNRXRDORXNW-INIZCTEOSA-N 2 1 288.435 2.486 20 0 CEADMP C[C@H]1CC[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)O1 ZINC000353155684 370045514 /nfs/dbraw/zinc/04/55/14/370045514.db2.gz PLFJCHXVZYVURH-DFKRWLTFSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@H]1CC[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)O1 ZINC000353155684 370045517 /nfs/dbraw/zinc/04/55/17/370045517.db2.gz PLFJCHXVZYVURH-DFKRWLTFSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@H]1CC[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)O1 ZINC000353155684 370045519 /nfs/dbraw/zinc/04/55/19/370045519.db2.gz PLFJCHXVZYVURH-DFKRWLTFSA-N 2 1 252.402 2.111 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000353522389 370114935 /nfs/dbraw/zinc/11/49/35/370114935.db2.gz UJSQVCBUHJSGDZ-SLTXQBBLSA-N 3 1 267.461 2.179 20 0 CEADMP CCN1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000353522389 370114939 /nfs/dbraw/zinc/11/49/39/370114939.db2.gz UJSQVCBUHJSGDZ-SLTXQBBLSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000353501239 370115575 /nfs/dbraw/zinc/11/55/75/370115575.db2.gz LUSXUIYUQCAGBA-HUUCEWRRSA-N 2 1 283.460 2.144 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccn2)CCC1 ZINC000353998151 370171589 /nfs/dbraw/zinc/17/15/89/370171589.db2.gz UQCJIYYZKOFXQU-CABCVRRESA-N 2 1 273.424 2.433 20 0 CEADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353628837 370119362 /nfs/dbraw/zinc/11/93/62/370119362.db2.gz CCYWUSBMFDXFQL-XQLPTFJDSA-N 2 1 268.445 2.246 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)[C@H](C)C1 ZINC000353650032 370121220 /nfs/dbraw/zinc/12/12/20/370121220.db2.gz PLLULFNFTBHTJQ-CABCVRRESA-N 3 1 299.528 2.134 20 0 CEADMP CCN1CC[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)[C@H](C)C1 ZINC000353650032 370121240 /nfs/dbraw/zinc/12/12/40/370121240.db2.gz PLLULFNFTBHTJQ-CABCVRRESA-N 2 1 299.528 2.134 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000353911892 370133057 /nfs/dbraw/zinc/13/30/57/370133057.db2.gz HAYPBUXOCGCMSI-KGLIPLIRSA-N 2 1 284.444 2.428 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000353911892 370133061 /nfs/dbraw/zinc/13/30/61/370133061.db2.gz HAYPBUXOCGCMSI-KGLIPLIRSA-N 2 1 284.444 2.428 20 0 CEADMP Cc1n[nH]c(C)c1CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000354088415 370212637 /nfs/dbraw/zinc/21/26/37/370212637.db2.gz PEOAZCYTJLUPEO-OAHLLOKOSA-N 2 1 276.428 2.190 20 0 CEADMP Cc1n[nH]c(C)c1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000354088415 370212640 /nfs/dbraw/zinc/21/26/40/370212640.db2.gz PEOAZCYTJLUPEO-OAHLLOKOSA-N 2 1 276.428 2.190 20 0 CEADMP Cc1n[nH]c(C)c1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000354088415 370212641 /nfs/dbraw/zinc/21/26/41/370212641.db2.gz PEOAZCYTJLUPEO-OAHLLOKOSA-N 2 1 276.428 2.190 20 0 CEADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000354088415 370212642 /nfs/dbraw/zinc/21/26/42/370212642.db2.gz PEOAZCYTJLUPEO-OAHLLOKOSA-N 2 1 276.428 2.190 20 0 CEADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000354088415 370212643 /nfs/dbraw/zinc/21/26/43/370212643.db2.gz PEOAZCYTJLUPEO-OAHLLOKOSA-N 2 1 276.428 2.190 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]CCCc1ccc(C)nc1 ZINC000354126146 370226414 /nfs/dbraw/zinc/22/64/14/370226414.db2.gz VCARLGJLTPYISZ-UHFFFAOYSA-N 2 1 258.369 2.117 20 0 CEADMP C[N@H+](Cc1ccc2nccnc2c1)CC1CC[NH+](C)CC1 ZINC000638029647 370253569 /nfs/dbraw/zinc/25/35/69/370253569.db2.gz QXJDGPBDSYPCRE-UHFFFAOYSA-N 2 1 284.407 2.403 20 0 CEADMP CC[C@H](C)[C@@H](C[N@@H+](C)CC1CC[NH+](C)CC1)OC ZINC000638030192 370255107 /nfs/dbraw/zinc/25/51/07/370255107.db2.gz ZXZBVMNQKFRSTK-DZGCQCFKSA-N 2 1 256.434 2.321 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1C(C)(C)C1(C)C ZINC000354217022 370264091 /nfs/dbraw/zinc/26/40/91/370264091.db2.gz PEUDVRXZJLNDQF-CYBMUJFWSA-N 2 1 282.472 2.494 20 0 CEADMP CC[NH+](CC)CC1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000354310053 370309799 /nfs/dbraw/zinc/30/97/99/370309799.db2.gz DBXAAMIFMUKHIW-UHFFFAOYSA-N 2 1 291.443 2.101 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000227070336 370356730 /nfs/dbraw/zinc/35/67/30/370356730.db2.gz JJYGBHGKIADEMR-GJZGRUSLSA-N 2 1 262.397 2.351 20 0 CEADMP CC(C)n1nccc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000354509846 370391564 /nfs/dbraw/zinc/39/15/64/370391564.db2.gz LGTUTKDMGLNKLG-UONOGXRCSA-N 2 1 264.417 2.426 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000354503246 370389395 /nfs/dbraw/zinc/38/93/95/370389395.db2.gz VWCMDNNUGNPSKQ-HUUCEWRRSA-N 2 1 283.460 2.096 20 0 CEADMP CO[C@](C)(C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C1CC1 ZINC000638131463 370325774 /nfs/dbraw/zinc/32/57/74/370325774.db2.gz CALJOFMGSMWOMH-DOTOQJQBSA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@](C)(C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CC1 ZINC000638131463 370325779 /nfs/dbraw/zinc/32/57/79/370325779.db2.gz CALJOFMGSMWOMH-DOTOQJQBSA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@](C)(C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CC1 ZINC000638131463 370325783 /nfs/dbraw/zinc/32/57/83/370325783.db2.gz CALJOFMGSMWOMH-DOTOQJQBSA-N 2 1 280.456 2.465 20 0 CEADMP CC[C@](C)(C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)OC ZINC000638132752 370326139 /nfs/dbraw/zinc/32/61/39/370326139.db2.gz HQYBUCZOPYFSNE-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@](C)(C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)OC ZINC000638132752 370326141 /nfs/dbraw/zinc/32/61/41/370326141.db2.gz HQYBUCZOPYFSNE-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@](C)(C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)OC ZINC000638132752 370326143 /nfs/dbraw/zinc/32/61/43/370326143.db2.gz HQYBUCZOPYFSNE-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000226437784 370343201 /nfs/dbraw/zinc/34/32/01/370343201.db2.gz QOJBKVKGDGHIJG-CABCVRRESA-N 2 1 254.418 2.267 20 0 CEADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc2ccccc2c1 ZINC000228724737 370413311 /nfs/dbraw/zinc/41/33/11/370413311.db2.gz ILWPXYIUOXFWJD-QGZVFWFLSA-N 2 1 272.392 2.242 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2cccc(F)c2N)CC1 ZINC000638320846 370444082 /nfs/dbraw/zinc/44/40/82/370444082.db2.gz STFAEMRCRWCFMD-UHFFFAOYSA-N 2 1 265.376 2.370 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@](C)(OC)C2CC2)C1 ZINC000638450184 370538630 /nfs/dbraw/zinc/53/86/30/370538630.db2.gz AVUWRWSQELWHJX-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000355363631 370555626 /nfs/dbraw/zinc/55/56/26/370555626.db2.gz ICOOGGLHZSQOBQ-TUKIKUTGSA-N 2 1 266.429 2.262 20 0 CEADMP C[N@@H+](CCC1CC[NH2+]CC1)CC[C@H]1CCCC[NH+]1C ZINC000234266298 370531268 /nfs/dbraw/zinc/53/12/68/370531268.db2.gz RPLXHLFDORGVKC-MRXNPFEDSA-N 3 1 267.461 2.182 20 0 CEADMP C[NH+](CCC1CC[NH2+]CC1)CC[C@H]1CCCC[N@@H+]1C ZINC000234266298 370531273 /nfs/dbraw/zinc/53/12/73/370531273.db2.gz RPLXHLFDORGVKC-MRXNPFEDSA-N 3 1 267.461 2.182 20 0 CEADMP C[NH+](CCC1CC[NH2+]CC1)CC[C@H]1CCCC[N@H+]1C ZINC000234266298 370531275 /nfs/dbraw/zinc/53/12/75/370531275.db2.gz RPLXHLFDORGVKC-MRXNPFEDSA-N 3 1 267.461 2.182 20 0 CEADMP CN1CCCC[C@@H]1CC[N@H+](C)CCC1CC[NH2+]CC1 ZINC000234266298 370531279 /nfs/dbraw/zinc/53/12/79/370531279.db2.gz RPLXHLFDORGVKC-MRXNPFEDSA-N 2 1 267.461 2.182 20 0 CEADMP CN1CCCC[C@@H]1CC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000234266298 370531282 /nfs/dbraw/zinc/53/12/82/370531282.db2.gz RPLXHLFDORGVKC-MRXNPFEDSA-N 2 1 267.461 2.182 20 0 CEADMP CO[C@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)CC(C)C ZINC000638560740 370606036 /nfs/dbraw/zinc/60/60/36/370606036.db2.gz XMLHDZAEEDRTOH-INIZCTEOSA-N 2 1 298.471 2.282 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000236802373 370630446 /nfs/dbraw/zinc/63/04/46/370630446.db2.gz QINHKIXBZPLVHY-GDBMZVCRSA-N 2 1 291.439 2.141 20 0 CEADMP CCNC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247026104 371048184 /nfs/dbraw/zinc/04/81/84/371048184.db2.gz QUDZBEKDTKBEPZ-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCNC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247026104 371048189 /nfs/dbraw/zinc/04/81/89/371048189.db2.gz QUDZBEKDTKBEPZ-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCNC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247026104 371048194 /nfs/dbraw/zinc/04/81/94/371048194.db2.gz QUDZBEKDTKBEPZ-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000246771890 371007449 /nfs/dbraw/zinc/00/74/49/371007449.db2.gz BHJDVDNRWWZANH-LXTVHRRPSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000246871717 371024535 /nfs/dbraw/zinc/02/45/35/371024535.db2.gz DLZIAVFBTHKXNB-DMRKSPOLSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246871717 371024542 /nfs/dbraw/zinc/02/45/42/371024542.db2.gz DLZIAVFBTHKXNB-DMRKSPOLSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246871717 371024548 /nfs/dbraw/zinc/02/45/48/371024548.db2.gz DLZIAVFBTHKXNB-DMRKSPOLSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC[N@@H+]1C ZINC000639175856 371051603 /nfs/dbraw/zinc/05/16/03/371051603.db2.gz AMSNDZCZNFQBRC-COEWEUQVSA-N 2 1 256.393 2.397 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC[N@H+]1C ZINC000639175856 371051605 /nfs/dbraw/zinc/05/16/05/371051605.db2.gz AMSNDZCZNFQBRC-COEWEUQVSA-N 2 1 256.393 2.397 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1C ZINC000246874038 371024660 /nfs/dbraw/zinc/02/46/60/371024660.db2.gz DCXKPWTWKYFJIY-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1C ZINC000246874038 371024666 /nfs/dbraw/zinc/02/46/66/371024666.db2.gz DCXKPWTWKYFJIY-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1C ZINC000246874038 371024670 /nfs/dbraw/zinc/02/46/70/371024670.db2.gz DCXKPWTWKYFJIY-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3cccnc3)CC[C@H]21 ZINC000246943360 371034209 /nfs/dbraw/zinc/03/42/09/371034209.db2.gz NQEWUUGXKIVVMQ-HZPDHXFCSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3cccnc3)CC[C@H]21 ZINC000246943360 371034214 /nfs/dbraw/zinc/03/42/14/371034214.db2.gz NQEWUUGXKIVVMQ-HZPDHXFCSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cccnc3)CC[C@H]21 ZINC000246943360 371034216 /nfs/dbraw/zinc/03/42/16/371034216.db2.gz NQEWUUGXKIVVMQ-HZPDHXFCSA-N 2 1 259.397 2.040 20 0 CEADMP CCOC1CC(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000639169095 371040883 /nfs/dbraw/zinc/04/08/83/371040883.db2.gz CATUJJCHMFNEND-WLYUNCDWSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000639169867 371042631 /nfs/dbraw/zinc/04/26/31/371042631.db2.gz LWLOACKXLGTVDW-SOUVJXGZSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1nnsc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639176384 371052779 /nfs/dbraw/zinc/05/27/79/371052779.db2.gz FROSZJCHMVPIFU-ZDUSSCGKSA-N 2 1 280.441 2.010 20 0 CEADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)sn1 ZINC000639178163 371058091 /nfs/dbraw/zinc/05/80/91/371058091.db2.gz IXAXJRDXVHHMPN-OCCSQVGLSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)sn1 ZINC000639178163 371058094 /nfs/dbraw/zinc/05/80/94/371058094.db2.gz IXAXJRDXVHHMPN-OCCSQVGLSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)sn1 ZINC000639178163 371058097 /nfs/dbraw/zinc/05/80/97/371058097.db2.gz IXAXJRDXVHHMPN-OCCSQVGLSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)sn1 ZINC000639178163 371058102 /nfs/dbraw/zinc/05/81/02/371058102.db2.gz IXAXJRDXVHHMPN-OCCSQVGLSA-N 2 1 265.426 2.368 20 0 CEADMP CC(=O)NCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247108810 371064469 /nfs/dbraw/zinc/06/44/69/371064469.db2.gz XXHCWXMOQIQXGE-WBVHZDCISA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247108810 371064472 /nfs/dbraw/zinc/06/44/72/371064472.db2.gz XXHCWXMOQIQXGE-WBVHZDCISA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247108810 371064476 /nfs/dbraw/zinc/06/44/76/371064476.db2.gz XXHCWXMOQIQXGE-WBVHZDCISA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247108810 371064480 /nfs/dbraw/zinc/06/44/80/371064480.db2.gz XXHCWXMOQIQXGE-WBVHZDCISA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000247101382 371065198 /nfs/dbraw/zinc/06/51/98/371065198.db2.gz SHOCRGKGZLDZNQ-YLFCFFPRSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)N1CCC(C)CC1 ZINC000247101382 371065204 /nfs/dbraw/zinc/06/52/04/371065204.db2.gz SHOCRGKGZLDZNQ-YLFCFFPRSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)N1CCC(C)CC1 ZINC000247101382 371065209 /nfs/dbraw/zinc/06/52/09/371065209.db2.gz SHOCRGKGZLDZNQ-YLFCFFPRSA-N 2 1 281.488 2.425 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCSC)[C@@H](C)C1 ZINC000248186217 371168757 /nfs/dbraw/zinc/16/87/57/371168757.db2.gz XKAISUBTWFDJPP-LSDHHAIUSA-N 2 1 288.501 2.466 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]CCC1CCOCC1 ZINC000639290801 371192640 /nfs/dbraw/zinc/19/26/40/371192640.db2.gz VYOBPBKJIQHGHC-UHFFFAOYSA-N 2 1 256.434 2.371 20 0 CEADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)O1 ZINC000248570284 371215136 /nfs/dbraw/zinc/21/51/36/371215136.db2.gz LWARUASLGHLHNJ-HZSPNIEDSA-N 2 1 252.402 2.160 20 0 CEADMP CCOC1CC(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000639348717 371260903 /nfs/dbraw/zinc/26/09/03/371260903.db2.gz YWPYPYSNABEGIE-NFOMZHRRSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000248880188 371261171 /nfs/dbraw/zinc/26/11/71/371261171.db2.gz SBJSVHQRSPYASV-JYJNAYRXSA-N 2 1 295.471 2.227 20 0 CEADMP CCCC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358871906 371252889 /nfs/dbraw/zinc/25/28/89/371252889.db2.gz LAVJRPVLFYEIMJ-IYBDPMFKSA-N 2 1 298.471 2.377 20 0 CEADMP CCCC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358871906 371252896 /nfs/dbraw/zinc/25/28/96/371252896.db2.gz LAVJRPVLFYEIMJ-IYBDPMFKSA-N 2 1 298.471 2.377 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCOC)[C@@H](C)C1 ZINC000248850488 371255635 /nfs/dbraw/zinc/25/56/35/371255635.db2.gz AXDGAVLZYUZYLB-KBPBESRZSA-N 2 1 256.434 2.369 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250655002 371388837 /nfs/dbraw/zinc/38/88/37/371388837.db2.gz AVQZCVYMDZUKEA-UONOGXRCSA-N 2 1 270.417 2.169 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000359250288 371395037 /nfs/dbraw/zinc/39/50/37/371395037.db2.gz JXNRACHQNSMHNM-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251132142 371397376 /nfs/dbraw/zinc/39/73/76/371397376.db2.gz UMYVSJOCZFYHPY-OAGGEKHMSA-N 2 1 265.445 2.077 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000359279837 371407476 /nfs/dbraw/zinc/40/74/76/371407476.db2.gz UBAKLIXWPWODJH-UKRRQHHQSA-N 2 1 292.423 2.176 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000251714927 371413997 /nfs/dbraw/zinc/41/39/97/371413997.db2.gz JPOKQVSAHVBQFF-CZUORRHYSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000251714927 371414004 /nfs/dbraw/zinc/41/40/04/371414004.db2.gz JPOKQVSAHVBQFF-CZUORRHYSA-N 2 1 270.380 2.041 20 0 CEADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1COc2ccccc2O1 ZINC000359193348 371371279 /nfs/dbraw/zinc/37/12/79/371371279.db2.gz QTALQHBJRUVPTO-HNNXBMFYSA-N 2 1 290.407 2.148 20 0 CEADMP C[N@@H+](CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000250010501 371374329 /nfs/dbraw/zinc/37/43/29/371374329.db2.gz VCWMATIMBBOQRW-GVDBMIGSSA-N 2 1 279.472 2.371 20 0 CEADMP CCCC(=O)NC[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359212229 371376869 /nfs/dbraw/zinc/37/68/69/371376869.db2.gz GHOICNGFYIFASU-MRXNPFEDSA-N 2 1 295.471 2.004 20 0 CEADMP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000250332181 371382323 /nfs/dbraw/zinc/38/23/23/371382323.db2.gz FJAOEUBQZWYACJ-QEJZJMRPSA-N 2 1 262.401 2.180 20 0 CEADMP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000250332181 371382327 /nfs/dbraw/zinc/38/23/27/371382327.db2.gz FJAOEUBQZWYACJ-QEJZJMRPSA-N 2 1 262.401 2.180 20 0 CEADMP c1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250528541 371385632 /nfs/dbraw/zinc/38/56/32/371385632.db2.gz BHPCRPKIEPQFJY-GJZGRUSLSA-N 2 1 260.381 2.282 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(OC)c1 ZINC000252854109 371483684 /nfs/dbraw/zinc/48/36/84/371483684.db2.gz JNLHHPPMYBOMMF-VBNZEHGJSA-N 2 1 290.407 2.263 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CC(C)(C)CO1 ZINC000639624138 371449855 /nfs/dbraw/zinc/44/98/55/371449855.db2.gz WWSNITJERWXFGQ-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CC(C)(C)CO1 ZINC000639624138 371449862 /nfs/dbraw/zinc/44/98/62/371449862.db2.gz WWSNITJERWXFGQ-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CC(C)(C)CO1 ZINC000639624139 371450893 /nfs/dbraw/zinc/45/08/93/371450893.db2.gz WWSNITJERWXFGQ-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CC(C)(C)CO1 ZINC000639624139 371450894 /nfs/dbraw/zinc/45/08/94/371450894.db2.gz WWSNITJERWXFGQ-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CCC1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000252513486 371451880 /nfs/dbraw/zinc/45/18/80/371451880.db2.gz TWDYQAXQDWPMGU-SSHXOBKSSA-N 2 1 266.429 2.408 20 0 CEADMP CCC1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000252513486 371451887 /nfs/dbraw/zinc/45/18/87/371451887.db2.gz TWDYQAXQDWPMGU-SSHXOBKSSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000359395512 371460044 /nfs/dbraw/zinc/46/00/44/371460044.db2.gz VOEMFBSUWVNGHF-LSDHHAIUSA-N 2 1 282.815 2.303 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000252699546 371471210 /nfs/dbraw/zinc/47/12/10/371471210.db2.gz USFZYUWZOMJXMJ-UKRRQHHQSA-N 2 1 262.397 2.255 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CC(C)(C)CO3)C2)C1 ZINC000639657118 371473578 /nfs/dbraw/zinc/47/35/78/371473578.db2.gz VRLVXKNRWGIGFM-ZBFHGGJFSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CC(C)(C)CO3)C2)C1 ZINC000639657118 371473581 /nfs/dbraw/zinc/47/35/81/371473581.db2.gz VRLVXKNRWGIGFM-ZBFHGGJFSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1cccc(CCC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639769600 371557731 /nfs/dbraw/zinc/55/77/31/371557731.db2.gz ZKIOCRISRYNSEL-SFHVURJKSA-N 2 1 290.451 2.316 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000360723671 371532667 /nfs/dbraw/zinc/53/26/67/371532667.db2.gz VKIVDPBZBMPQPI-LSDHHAIUSA-N 2 1 265.401 2.375 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000344030879 217017653 /nfs/dbraw/zinc/01/76/53/217017653.db2.gz GCVAWPGUQYJIPT-QKGCVVFFSA-N 2 1 266.429 2.262 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(C4CC4)no3)C2)CC1 ZINC000639756589 371545897 /nfs/dbraw/zinc/54/58/97/371545897.db2.gz XVCTUIJBODSDAC-UHFFFAOYSA-N 2 1 275.396 2.470 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCCCCn3cccn3)C2)CC1 ZINC000639757607 371549009 /nfs/dbraw/zinc/54/90/09/371549009.db2.gz JFYPINQTOITONR-UHFFFAOYSA-N 2 1 290.455 2.471 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000639765251 371553609 /nfs/dbraw/zinc/55/36/09/371553609.db2.gz IDCGFQWTFOPARN-QGZVFWFLSA-N 2 1 294.414 2.147 20 0 CEADMP C[C@@H](C[NH2+]Cc1cn(C)nc1C(F)F)C[NH+]1CCCC1 ZINC000360965858 371567199 /nfs/dbraw/zinc/56/71/99/371567199.db2.gz JEZNZOFCQFWCHQ-NSHDSACASA-N 2 1 286.370 2.179 20 0 CEADMP FC(F)(F)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000360973873 371574482 /nfs/dbraw/zinc/57/44/82/371574482.db2.gz WCQPHUITXNLZDB-UTUOFQBUSA-N 2 1 262.319 2.355 20 0 CEADMP FC(F)(F)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000360973873 371574488 /nfs/dbraw/zinc/57/44/88/371574488.db2.gz WCQPHUITXNLZDB-UTUOFQBUSA-N 2 1 262.319 2.355 20 0 CEADMP FC(F)(F)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360973873 371574494 /nfs/dbraw/zinc/57/44/94/371574494.db2.gz WCQPHUITXNLZDB-UTUOFQBUSA-N 2 1 262.319 2.355 20 0 CEADMP FC(F)(F)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360973873 371574499 /nfs/dbraw/zinc/57/44/99/371574499.db2.gz WCQPHUITXNLZDB-UTUOFQBUSA-N 2 1 262.319 2.355 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](n2ccnn2)CC1 ZINC000639816719 371592509 /nfs/dbraw/zinc/59/25/09/371592509.db2.gz LMKXFWIALUBVBM-HOTGVXAUSA-N 2 1 291.443 2.180 20 0 CEADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C1CC1 ZINC000361008573 371596471 /nfs/dbraw/zinc/59/64/71/371596471.db2.gz FXSUPCFXKYDNGR-LVQVYYBASA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261607372 371674671 /nfs/dbraw/zinc/67/46/71/371674671.db2.gz DERRJFWKBMGPSS-GXTWGEPZSA-N 2 1 295.377 2.005 20 0 CEADMP CCOC(=O)[C@H]1CCCCCN1CC[C@@H]1CCC[N@H+]1C ZINC000259968542 371631146 /nfs/dbraw/zinc/63/11/46/371631146.db2.gz JUPHKJDICKMOHM-LSDHHAIUSA-N 2 1 282.428 2.278 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](CCC[C@@H](C)O)CC1 ZINC000639986502 371714449 /nfs/dbraw/zinc/71/44/49/371714449.db2.gz NTNBTQNUSHXOMC-OAHLLOKOSA-N 2 1 268.445 2.488 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)CC[NH2+]C1 ZINC000261754466 371721520 /nfs/dbraw/zinc/72/15/20/371721520.db2.gz KMDNOLDJWPWPLS-CVEARBPZSA-N 2 1 259.397 2.172 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261815054 371739907 /nfs/dbraw/zinc/73/99/07/371739907.db2.gz HXUGNZSRMOODTD-DOMZBBRYSA-N 2 1 299.422 2.053 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccnn1-c1ccc(F)cc1 ZINC000261799930 371736363 /nfs/dbraw/zinc/73/63/63/371736363.db2.gz GXFBWFOSFJVBIZ-STQMWFEESA-N 2 1 288.370 2.181 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccnn1-c1ccc(F)cc1 ZINC000261799930 371736369 /nfs/dbraw/zinc/73/63/69/371736369.db2.gz GXFBWFOSFJVBIZ-STQMWFEESA-N 2 1 288.370 2.181 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000261803659 371737359 /nfs/dbraw/zinc/73/73/59/371737359.db2.gz HEIKTKWSIHGUIX-CQSZACIVSA-N 2 1 264.417 2.333 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1F ZINC000361156802 371688584 /nfs/dbraw/zinc/68/85/84/371688584.db2.gz TZPPTYNQFDEHIE-WFASDCNBSA-N 2 1 280.387 2.307 20 0 CEADMP C[NH2+]C1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000261831735 371746409 /nfs/dbraw/zinc/74/64/09/371746409.db2.gz JEOATUNPHVYPBC-UHFFFAOYSA-N 2 1 290.436 2.332 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)CC[NH2+]C1 ZINC000261933857 371777565 /nfs/dbraw/zinc/77/75/65/371777565.db2.gz CZNLHXZFDWXTTO-DOTOQJQBSA-N 2 1 284.407 2.283 20 0 CEADMP CC[N@@H+](CCc1nccs1)C[C@@]1(C)CC[NH2+]C1 ZINC000261970985 371785822 /nfs/dbraw/zinc/78/58/22/371785822.db2.gz IFJDWMFRJPPTTJ-ZDUSSCGKSA-N 2 1 253.415 2.007 20 0 CEADMP COC(=O)[C@H](CC1CCCCC1)[NH2+]CC1CC[NH2+]CC1 ZINC000261981082 371788323 /nfs/dbraw/zinc/78/83/23/371788323.db2.gz RINJCHVYSXYOSV-HNNXBMFYSA-N 2 1 282.428 2.088 20 0 CEADMP CC(C)C[C@H]1CCCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262144707 371830413 /nfs/dbraw/zinc/83/04/13/371830413.db2.gz OTWSCKLXJGMWFS-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)C[C@]2(C)CC[NH2+]C2)c1C ZINC000262002453 371797138 /nfs/dbraw/zinc/79/71/38/371797138.db2.gz LLGNIMXCPJCFGE-MRXNPFEDSA-N 2 1 277.412 2.138 20 0 CEADMP CC[NH+](CC)CC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262055353 371814960 /nfs/dbraw/zinc/81/49/60/371814960.db2.gz QQADDLVAOHSLHI-MRXNPFEDSA-N 2 1 267.461 2.040 20 0 CEADMP Cc1cc(N2CCN(C3CCC3)CC2)nc(C2CC2)n1 ZINC000265363699 372018987 /nfs/dbraw/zinc/01/89/87/372018987.db2.gz MTUSYRNYSCPBQB-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC1(O)CCC1 ZINC000640534703 372024151 /nfs/dbraw/zinc/02/41/51/372024151.db2.gz SFPDLXSFARHGIJ-UHFFFAOYSA-N 2 1 268.445 2.489 20 0 CEADMP CCC[NH+]1CCN(c2cccc(-n3cc[nH+]c3C)n2)CC1 ZINC000361799318 372077622 /nfs/dbraw/zinc/07/76/22/372077622.db2.gz NERWLNOFVMLOEA-UHFFFAOYSA-N 2 1 285.395 2.108 20 0 CEADMP COC1CCC(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000361928063 372132609 /nfs/dbraw/zinc/13/26/09/372132609.db2.gz UZLBXUVZDNYRSB-URGYJCLVSA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2cn3cc(C)ccc3n2)[C@@H](C)C1 ZINC000268823478 372241749 /nfs/dbraw/zinc/24/17/49/372241749.db2.gz APRLBDFOMVUXLG-GOEBONIOSA-N 2 1 286.423 2.463 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000268776710 372217114 /nfs/dbraw/zinc/21/71/14/372217114.db2.gz AOUGLIRTHGNUQK-LBPRGKRZSA-N 2 1 298.390 2.061 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(C)c1 ZINC000268804332 372230330 /nfs/dbraw/zinc/23/03/30/372230330.db2.gz CBCXRSDUWFISGY-HZPDHXFCSA-N 2 1 276.424 2.411 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](C(C)C)CC2)o1 ZINC000268943548 372297594 /nfs/dbraw/zinc/29/75/94/372297594.db2.gz AVBYWPNOGFECKA-CQSZACIVSA-N 2 1 266.385 2.084 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000268847792 372253726 /nfs/dbraw/zinc/25/37/26/372253726.db2.gz PBCBLOAIXFTSDB-UKPHBRMFSA-N 2 1 294.414 2.049 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(-n3cncn3)c2)[C@H](C)C1 ZINC000268878346 372269923 /nfs/dbraw/zinc/26/99/23/372269923.db2.gz HKQCGAVSQXWGIO-PBHICJAKSA-N 2 1 299.422 2.087 20 0 CEADMP C[NH+](C)C[C@@](C)(O)CNc1cc[nH+]c2ccsc21 ZINC000269837905 372574306 /nfs/dbraw/zinc/57/43/06/372574306.db2.gz GXRCSKBCIFUNSN-ZDUSSCGKSA-N 2 1 265.382 2.021 20 0 CEADMP CN(CCC[N@@H+](C)Cc1ccco1)c1cc(CO)ccn1 ZINC000641598818 372577619 /nfs/dbraw/zinc/57/76/19/372577619.db2.gz VUGKEKCASJORPB-UHFFFAOYSA-N 2 1 289.379 2.125 20 0 CEADMP CN(CCCC[NH+]1CCCCC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000641663442 372616224 /nfs/dbraw/zinc/61/62/24/372616224.db2.gz NPEQNZCHOXVOTF-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CSCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363577595 372642173 /nfs/dbraw/zinc/64/21/73/372642173.db2.gz PWDKUDAJHPMSPN-MCIONIFRSA-N 2 1 254.443 2.156 20 0 CEADMP CSCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363577595 372642176 /nfs/dbraw/zinc/64/21/76/372642176.db2.gz PWDKUDAJHPMSPN-MCIONIFRSA-N 2 1 254.443 2.156 20 0 CEADMP CSCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363577595 372642182 /nfs/dbraw/zinc/64/21/82/372642182.db2.gz PWDKUDAJHPMSPN-MCIONIFRSA-N 2 1 254.443 2.156 20 0 CEADMP C[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC000641709840 372646222 /nfs/dbraw/zinc/64/62/22/372646222.db2.gz IYRVIUMLGIPWGT-LSDHHAIUSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000364324317 372727020 /nfs/dbraw/zinc/72/70/20/372727020.db2.gz MHAZDCBBTBERAW-RYQLBKOJSA-N 2 1 288.435 2.318 20 0 CEADMP C[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000364324317 372727023 /nfs/dbraw/zinc/72/70/23/372727023.db2.gz MHAZDCBBTBERAW-RYQLBKOJSA-N 2 1 288.435 2.318 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc(C)ccc1C ZINC000641771886 372713801 /nfs/dbraw/zinc/71/38/01/372713801.db2.gz LXJITJSWAZOWMV-KRWDZBQOSA-N 2 1 278.440 2.486 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cn3ccsc3n2)[C@@H]2CCC[C@@H]21 ZINC000353394250 220061377 /nfs/dbraw/zinc/06/13/77/220061377.db2.gz MDWCHRNIARJRQA-IHRRRGAJSA-N 2 1 290.436 2.358 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn3ccsc3n2)[C@@H]2CCC[C@@H]21 ZINC000353394250 220061381 /nfs/dbraw/zinc/06/13/81/220061381.db2.gz MDWCHRNIARJRQA-IHRRRGAJSA-N 2 1 290.436 2.358 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000641799334 372739766 /nfs/dbraw/zinc/73/97/66/372739766.db2.gz UXWZPEHOMANCJT-ONGXEEELSA-N 2 1 284.306 2.177 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000641798938 372740246 /nfs/dbraw/zinc/74/02/46/372740246.db2.gz QZXSFVPEDKFJIF-KOLCDFICSA-N 2 1 284.306 2.177 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641801455 372743344 /nfs/dbraw/zinc/74/33/44/372743344.db2.gz CFSXWLRGYHQXFM-QEJZJMRPSA-N 2 1 289.423 2.346 20 0 CEADMP CC(C)c1ccc(NC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641803408 372748112 /nfs/dbraw/zinc/74/81/12/372748112.db2.gz CMPUMPHBIAOKOC-GJZGRUSLSA-N 2 1 289.423 2.464 20 0 CEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCCCC1CCCCC1 ZINC000641804766 372749505 /nfs/dbraw/zinc/74/95/05/372749505.db2.gz LIJVWTYCEVTEHD-GJZGRUSLSA-N 2 1 295.471 2.179 20 0 CEADMP CC(C)c1ccccc1NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641804401 372749950 /nfs/dbraw/zinc/74/99/50/372749950.db2.gz IJISFZQHHNJEAN-CABCVRRESA-N 2 1 289.423 2.464 20 0 CEADMP C(C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1)C[NH+]1CCCCC1 ZINC000364599725 372767014 /nfs/dbraw/zinc/76/70/14/372767014.db2.gz AJPWDGSEBFXKEZ-HZPDHXFCSA-N 2 1 266.429 2.221 20 0 CEADMP Cc1csc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000333181634 205097965 /nfs/dbraw/zinc/09/79/65/205097965.db2.gz SBRDLGAXOBHAJA-UKRRQHHQSA-N 2 1 295.452 2.170 20 0 CEADMP CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)[NH+]1CCCC1 ZINC000353434498 220081216 /nfs/dbraw/zinc/08/12/16/220081216.db2.gz JLGIJVQMVIJSEK-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)C(C)C ZINC000365400797 372850190 /nfs/dbraw/zinc/85/01/90/372850190.db2.gz BCDJARFAOXRLKC-HZPDHXFCSA-N 2 1 297.487 2.436 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C(C)C ZINC000365400797 372850198 /nfs/dbraw/zinc/85/01/98/372850198.db2.gz BCDJARFAOXRLKC-HZPDHXFCSA-N 2 1 297.487 2.436 20 0 CEADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344655536 217264372 /nfs/dbraw/zinc/26/43/72/217264372.db2.gz GJZSHIFARWSBRF-KFWWJZLASA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000353488178 220111727 /nfs/dbraw/zinc/11/17/27/220111727.db2.gz OCVPYDNHWXKFQC-YHUYYLMFSA-N 2 1 269.477 2.425 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000353488178 220111730 /nfs/dbraw/zinc/11/17/30/220111730.db2.gz OCVPYDNHWXKFQC-YHUYYLMFSA-N 2 1 269.477 2.425 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000353488178 220111732 /nfs/dbraw/zinc/11/17/32/220111732.db2.gz OCVPYDNHWXKFQC-YHUYYLMFSA-N 2 1 269.477 2.425 20 0 CEADMP Cc1nc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)nc2ccccc12 ZINC000366442134 373049464 /nfs/dbraw/zinc/04/94/64/373049464.db2.gz IJBIZBXPGNQZMV-GOSISDBHSA-N 2 1 296.418 2.466 20 0 CEADMP CC[N@@H+]1CCCC[C@@H]1CNc1cccc(-n2cc[nH+]c2C)n1 ZINC000366458916 373057643 /nfs/dbraw/zinc/05/76/43/373057643.db2.gz TYFCIMQHFCGSJG-OAHLLOKOSA-N 2 1 299.422 2.284 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNc1cccc(-n2cc[nH+]c2C)n1 ZINC000366458916 373057652 /nfs/dbraw/zinc/05/76/52/373057652.db2.gz TYFCIMQHFCGSJG-OAHLLOKOSA-N 2 1 299.422 2.284 20 0 CEADMP COc1cccc(C[C@@H]([NH2+]CC[NH2+]C2CC2)C2CC2)c1 ZINC000643507140 373165866 /nfs/dbraw/zinc/16/58/66/373165866.db2.gz UBDGANYTJHKWEZ-QGZVFWFLSA-N 2 1 274.408 2.358 20 0 CEADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCC1 ZINC000367611112 373167177 /nfs/dbraw/zinc/16/71/77/373167177.db2.gz ACALYPTVIIHSAK-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366867014 373126589 /nfs/dbraw/zinc/12/65/89/373126589.db2.gz IDPWOFQGBAQCGP-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)ncn1 ZINC000643476405 373143189 /nfs/dbraw/zinc/14/31/89/373143189.db2.gz XLQPGNWJMLICTN-HRCADAONSA-N 2 1 274.412 2.185 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000643518419 373176064 /nfs/dbraw/zinc/17/60/64/373176064.db2.gz DVPANJWNTHGWDZ-MFKMUULPSA-N 2 1 253.415 2.492 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1nc2ccccc2n1C ZINC000643521766 373178236 /nfs/dbraw/zinc/17/82/36/373178236.db2.gz BIEMAVALOMMONE-OLZOCXBDSA-N 2 1 272.396 2.366 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000271206689 373183157 /nfs/dbraw/zinc/18/31/57/373183157.db2.gz GLAWBAMIMCIHIA-ZBFHGGJFSA-N 2 1 287.411 2.361 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000271206689 373183160 /nfs/dbraw/zinc/18/31/60/373183160.db2.gz GLAWBAMIMCIHIA-ZBFHGGJFSA-N 2 1 287.411 2.361 20 0 CEADMP O[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000271553988 373195061 /nfs/dbraw/zinc/19/50/61/373195061.db2.gz WISTZPPJYGOCFJ-ROUUACIJSA-N 2 1 288.435 2.197 20 0 CEADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cncs1 ZINC000643546115 373203864 /nfs/dbraw/zinc/20/38/64/373203864.db2.gz IRYYNKKGNXZCIU-MNOVXSKESA-N 2 1 251.399 2.468 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000353596349 220181183 /nfs/dbraw/zinc/18/11/83/220181183.db2.gz IRBRLUQQGIRLGL-WBVHZDCISA-N 2 1 295.471 2.147 20 0 CEADMP C[C@@]1(C[NH2+][C@@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000369184300 373354053 /nfs/dbraw/zinc/35/40/53/373354053.db2.gz PWPWNKLHRUKLOT-SJORKVTESA-N 2 1 274.408 2.277 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000369397259 373405665 /nfs/dbraw/zinc/40/56/65/373405665.db2.gz FIVNZQGZAKUSFO-GOSISDBHSA-N 2 1 287.451 2.287 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353630909 220206791 /nfs/dbraw/zinc/20/67/91/220206791.db2.gz JHVLHDAUYSVHNC-FZKCQIBNSA-N 2 1 282.472 2.492 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CC=CCC1 ZINC000644571184 373536970 /nfs/dbraw/zinc/53/69/70/373536970.db2.gz BMFUJULHPVWJNK-DLBZAZTESA-N 2 1 274.408 2.178 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CC=CCC1 ZINC000644571184 373536977 /nfs/dbraw/zinc/53/69/77/373536977.db2.gz BMFUJULHPVWJNK-DLBZAZTESA-N 2 1 274.408 2.178 20 0 CEADMP CC(C)[C@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644572765 373540075 /nfs/dbraw/zinc/54/00/75/373540075.db2.gz JYEJGNGSNWUFEG-NVXWUHKLSA-N 2 1 278.440 2.361 20 0 CEADMP CC(C)[C@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644572765 373540079 /nfs/dbraw/zinc/54/00/79/373540079.db2.gz JYEJGNGSNWUFEG-NVXWUHKLSA-N 2 1 278.440 2.361 20 0 CEADMP CC(C)CC[C@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000644619050 373563024 /nfs/dbraw/zinc/56/30/24/373563024.db2.gz NTPKLGQKTSDEBN-HIFRSBDPSA-N 2 1 254.418 2.024 20 0 CEADMP CCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000370160855 373595686 /nfs/dbraw/zinc/59/56/86/373595686.db2.gz IOVARRRPSFJKKQ-YPMHNXCESA-N 2 1 280.441 2.265 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272710224 373625685 /nfs/dbraw/zinc/62/56/85/373625685.db2.gz VDCSGLCDMSBNDG-DZOHQFGASA-N 2 1 288.435 2.258 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2nc(C(C)C)no2)[C@@H](C)C1 ZINC000247178524 220220397 /nfs/dbraw/zinc/22/03/97/220220397.db2.gz ZATVEOFZUQRRRJ-UONOGXRCSA-N 2 1 294.443 2.446 20 0 CEADMP Cc1csc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000370396298 373647675 /nfs/dbraw/zinc/64/76/75/373647675.db2.gz TTXHYUQUXGBIBX-HZSPNIEDSA-N 2 1 277.437 2.368 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000247168478 220219096 /nfs/dbraw/zinc/21/90/96/220219096.db2.gz YGFIZDNDOPHSKC-NVXWUHKLSA-N 3 1 281.488 2.428 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CCN(CC)C[C@H]2C)CC1 ZINC000247168478 220219097 /nfs/dbraw/zinc/21/90/97/220219097.db2.gz YGFIZDNDOPHSKC-NVXWUHKLSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC000370660298 373708860 /nfs/dbraw/zinc/70/88/60/373708860.db2.gz KKKKJTQJBIRLFH-UPJWGTAASA-N 2 1 294.361 2.418 20 0 CEADMP CCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371208733 373813310 /nfs/dbraw/zinc/81/33/10/373813310.db2.gz QINUCIADJCWCLZ-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP CCOCC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371208733 373813312 /nfs/dbraw/zinc/81/33/12/373813312.db2.gz QINUCIADJCWCLZ-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP CC(C)([NH3+])CC(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000371264424 373824332 /nfs/dbraw/zinc/82/43/32/373824332.db2.gz MRUIZIHXBVNFKS-CYBMUJFWSA-N 2 1 281.444 2.027 20 0 CEADMP OCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371353920 373851474 /nfs/dbraw/zinc/85/14/74/373851474.db2.gz KHILOTBPSRUXGZ-UHFFFAOYSA-N 2 1 288.435 2.357 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC([NH+](C)C)CC3)c2c1C ZINC000645117891 373862999 /nfs/dbraw/zinc/86/29/99/373862999.db2.gz JULQCLUVHCNWAT-UHFFFAOYSA-N 2 1 273.384 2.105 20 0 CEADMP Cn1cncc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000371725365 373960126 /nfs/dbraw/zinc/96/01/26/373960126.db2.gz WBPLIDGSZCSVDW-DOTOQJQBSA-N 2 1 284.407 2.203 20 0 CEADMP Cn1cncc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000371725365 373960131 /nfs/dbraw/zinc/96/01/31/373960131.db2.gz WBPLIDGSZCSVDW-DOTOQJQBSA-N 2 1 284.407 2.203 20 0 CEADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000275255329 374199065 /nfs/dbraw/zinc/19/90/65/374199065.db2.gz JBAWECHPQNPSMZ-BBRMVZONSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000275255329 374199069 /nfs/dbraw/zinc/19/90/69/374199069.db2.gz JBAWECHPQNPSMZ-BBRMVZONSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000275255329 374199073 /nfs/dbraw/zinc/19/90/73/374199073.db2.gz JBAWECHPQNPSMZ-BBRMVZONSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000275255329 374199080 /nfs/dbraw/zinc/19/90/80/374199080.db2.gz JBAWECHPQNPSMZ-BBRMVZONSA-N 2 1 262.397 2.467 20 0 CEADMP COc1cccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000276655800 374253777 /nfs/dbraw/zinc/25/37/77/374253777.db2.gz MZYZKQHEYNZHJT-GFCCVEGCSA-N 2 1 259.353 2.322 20 0 CEADMP CN1Cc2ccccc2[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000373061142 374257094 /nfs/dbraw/zinc/25/70/94/374257094.db2.gz YOJXXBZONPQLLZ-YCXXCVGLSA-N 2 1 285.435 2.388 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1C[NH+](C)Cc3ccccc31)C2 ZINC000373061142 374257100 /nfs/dbraw/zinc/25/71/00/374257100.db2.gz YOJXXBZONPQLLZ-YCXXCVGLSA-N 2 1 285.435 2.388 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1C[NH+](C)Cc3ccccc31)C2 ZINC000373061142 374257103 /nfs/dbraw/zinc/25/71/03/374257103.db2.gz YOJXXBZONPQLLZ-YCXXCVGLSA-N 2 1 285.435 2.388 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1C[N@H+](C)Cc3ccccc31)C2 ZINC000373061142 374257107 /nfs/dbraw/zinc/25/71/07/374257107.db2.gz YOJXXBZONPQLLZ-YCXXCVGLSA-N 2 1 285.435 2.388 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1C[N@@H+](C)Cc3ccccc31)C2 ZINC000373061142 374257112 /nfs/dbraw/zinc/25/71/12/374257112.db2.gz YOJXXBZONPQLLZ-YCXXCVGLSA-N 2 1 285.435 2.388 20 0 CEADMP COc1ccc(OC)c([C@@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000276633081 374244723 /nfs/dbraw/zinc/24/47/23/374244723.db2.gz JTWYBFPVZNBZRY-GFCCVEGCSA-N 2 1 289.379 2.331 20 0 CEADMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000373234229 374300796 /nfs/dbraw/zinc/30/07/96/374300796.db2.gz XPWRQUVIGZKQMX-NSHDSACASA-N 2 1 262.382 2.256 20 0 CEADMP Cc1nc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cs1 ZINC000334165481 206125812 /nfs/dbraw/zinc/12/58/12/206125812.db2.gz ADWIAPYOYDSQSG-DZGCQCFKSA-N 2 1 279.453 2.410 20 0 CEADMP Cc1nc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000334165481 206125816 /nfs/dbraw/zinc/12/58/16/206125816.db2.gz ADWIAPYOYDSQSG-DZGCQCFKSA-N 2 1 279.453 2.410 20 0 CEADMP Cc1nc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000334165481 206125818 /nfs/dbraw/zinc/12/58/18/206125818.db2.gz ADWIAPYOYDSQSG-DZGCQCFKSA-N 2 1 279.453 2.410 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000277408931 374509034 /nfs/dbraw/zinc/50/90/34/374509034.db2.gz IHDZZUPNDVTGHO-ZDUSSCGKSA-N 2 1 263.385 2.012 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000277408931 374509038 /nfs/dbraw/zinc/50/90/38/374509038.db2.gz IHDZZUPNDVTGHO-ZDUSSCGKSA-N 2 1 263.385 2.012 20 0 CEADMP COc1ccsc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277616661 374580414 /nfs/dbraw/zinc/58/04/14/374580414.db2.gz BCRLOHVOTVRXSI-ZDUSSCGKSA-N 2 1 298.452 2.347 20 0 CEADMP COc1ccsc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000277616661 374580416 /nfs/dbraw/zinc/58/04/16/374580416.db2.gz BCRLOHVOTVRXSI-ZDUSSCGKSA-N 2 1 298.452 2.347 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2n[nH]cc2c1 ZINC000334210277 206197861 /nfs/dbraw/zinc/19/78/61/206197861.db2.gz DGYHBASEBDEEJP-NSHDSACASA-N 2 1 258.369 2.308 20 0 CEADMP CCCCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374590552 374608557 /nfs/dbraw/zinc/60/85/57/374608557.db2.gz BUKSMARLULCCGC-OAHLLOKOSA-N 2 1 267.461 2.277 20 0 CEADMP C[C@@H]1CCC[N@H+]1C1CCN(C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000375417958 374657874 /nfs/dbraw/zinc/65/78/74/374657874.db2.gz YKCRUHPDQFLPLV-UKRRQHHQSA-N 2 1 292.423 2.031 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCOCC1 ZINC000375785305 374677283 /nfs/dbraw/zinc/67/72/83/374677283.db2.gz ZIJBDNWCPKQERQ-ZNMIVQPWSA-N 2 1 298.496 2.361 20 0 CEADMP O=C1OCC[C@@H]1CC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000376798186 374737839 /nfs/dbraw/zinc/73/78/39/374737839.db2.gz DMGZSEJQLPEDGU-CVEARBPZSA-N 2 1 294.439 2.138 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCO ZINC000278390289 374802006 /nfs/dbraw/zinc/80/20/06/374802006.db2.gz AEYQHMSUBPJOKV-WBVHZDCISA-N 2 1 276.424 2.259 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCO ZINC000278390289 374802013 /nfs/dbraw/zinc/80/20/13/374802013.db2.gz AEYQHMSUBPJOKV-WBVHZDCISA-N 2 1 276.424 2.259 20 0 CEADMP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCCc3[nH+]ccn32)c1 ZINC000377786619 374951414 /nfs/dbraw/zinc/95/14/14/374951414.db2.gz VIQCCVRPYIVVHQ-OAHLLOKOSA-N 2 1 298.390 2.461 20 0 CEADMP Cc1ccncc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000378217337 375046607 /nfs/dbraw/zinc/04/66/07/375046607.db2.gz CYEQQPXPGFNZRI-OAHLLOKOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ccncc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000378217337 375046613 /nfs/dbraw/zinc/04/66/13/375046613.db2.gz CYEQQPXPGFNZRI-OAHLLOKOSA-N 2 1 259.397 2.308 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000382562899 375189694 /nfs/dbraw/zinc/18/96/94/375189694.db2.gz YTJHCXSQSFVKHA-QAPCUYQASA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000382562899 375189699 /nfs/dbraw/zinc/18/96/99/375189699.db2.gz YTJHCXSQSFVKHA-QAPCUYQASA-N 2 1 287.451 2.239 20 0 CEADMP COc1ccc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1OC ZINC000386144159 375253118 /nfs/dbraw/zinc/25/31/18/375253118.db2.gz QWKUGILFXCPHCS-UKRRQHHQSA-N 2 1 292.423 2.367 20 0 CEADMP COc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1OC(F)F ZINC000384762311 375216887 /nfs/dbraw/zinc/21/68/87/375216887.db2.gz QKBRJQLLEYDNLO-UHFFFAOYSA-N 2 1 286.322 2.218 20 0 CEADMP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1OC(F)F ZINC000384762311 375216892 /nfs/dbraw/zinc/21/68/92/375216892.db2.gz QKBRJQLLEYDNLO-UHFFFAOYSA-N 2 1 286.322 2.218 20 0 CEADMP COc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1OC(F)F ZINC000384899216 375220752 /nfs/dbraw/zinc/22/07/52/375220752.db2.gz NIQCMGYLHVABGT-UHFFFAOYSA-N 2 1 286.322 2.218 20 0 CEADMP COc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1OC(F)F ZINC000384899216 375220758 /nfs/dbraw/zinc/22/07/58/375220758.db2.gz NIQCMGYLHVABGT-UHFFFAOYSA-N 2 1 286.322 2.218 20 0 CEADMP Cc1cnccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000384929789 375222643 /nfs/dbraw/zinc/22/26/43/375222643.db2.gz HEJFIHPIUYOLNC-HZPDHXFCSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cnccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000384929789 375222648 /nfs/dbraw/zinc/22/26/48/375222648.db2.gz HEJFIHPIUYOLNC-HZPDHXFCSA-N 2 1 259.397 2.354 20 0 CEADMP CCc1nc(N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc(C)[nH+]1 ZINC000397253402 375339888 /nfs/dbraw/zinc/33/98/88/375339888.db2.gz FKYDVRDRHPZMHJ-UHTWSYAYSA-N 2 1 262.401 2.157 20 0 CEADMP C[C@H](C[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000399510786 375364162 /nfs/dbraw/zinc/36/41/62/375364162.db2.gz NCZDMPOKUFYOJD-TZMCWYRMSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000399510786 375364168 /nfs/dbraw/zinc/36/41/68/375364168.db2.gz NCZDMPOKUFYOJD-TZMCWYRMSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@H](C[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000399510786 375364170 /nfs/dbraw/zinc/36/41/70/375364170.db2.gz NCZDMPOKUFYOJD-TZMCWYRMSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@H](C[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000399510786 375364172 /nfs/dbraw/zinc/36/41/72/375364172.db2.gz NCZDMPOKUFYOJD-TZMCWYRMSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)OCC1CC1 ZINC000414278004 375817385 /nfs/dbraw/zinc/81/73/85/375817385.db2.gz XRJRPJRSIYRRQB-JSGCOSHPSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@H+](Cc1cc(-n2ccnc2)cs1)C1(C[NH3+])CCC1 ZINC000414776090 375961273 /nfs/dbraw/zinc/96/12/73/375961273.db2.gz CZHVSTSZXOJCFN-UHFFFAOYSA-N 2 1 276.409 2.247 20 0 CEADMP C[N@@H+](Cc1cc(-n2ccnc2)cs1)C1(C[NH3+])CCC1 ZINC000414776090 375961280 /nfs/dbraw/zinc/96/12/80/375961280.db2.gz CZHVSTSZXOJCFN-UHFFFAOYSA-N 2 1 276.409 2.247 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000261554446 190040515 /nfs/dbraw/zinc/04/05/15/190040515.db2.gz UFDWMUNGMYKWKE-PBHICJAKSA-N 2 1 291.439 2.141 20 0 CEADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414683583 375917083 /nfs/dbraw/zinc/91/70/83/375917083.db2.gz BNSXTOZEKMUWHH-OAGGEKHMSA-N 2 1 297.487 2.377 20 0 CEADMP COC(=O)C1([N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)CCCCC1 ZINC000414697696 375925891 /nfs/dbraw/zinc/92/58/91/375925891.db2.gz QBJNZYTVXFZHES-KGLIPLIRSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@H]1C[C@@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CC[NH2+]1 ZINC000414703566 375930706 /nfs/dbraw/zinc/93/07/06/375930706.db2.gz VPLRKAQGSKYMPW-HOCLYGCPSA-N 3 1 290.455 2.063 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)CC[NH2+]1 ZINC000414707900 375934021 /nfs/dbraw/zinc/93/40/21/375934021.db2.gz PFPROSDAAVQMPC-JKIFEVAISA-N 2 1 290.407 2.154 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H](CCO)c2ccccc2)CC[NH2+]1 ZINC000414718563 375938088 /nfs/dbraw/zinc/93/80/88/375938088.db2.gz ZJMDDGLONMIRKF-BFYDXBDKSA-N 2 1 276.424 2.430 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000414733155 375943405 /nfs/dbraw/zinc/94/34/05/375943405.db2.gz CQLIDYKRONEJTO-JKSUJKDBSA-N 2 1 267.461 2.024 20 0 CEADMP COCC[N@H+](C[C@H]([NH3+])CC(C)C)[C@H]1CCCSC1 ZINC000414758109 375951437 /nfs/dbraw/zinc/95/14/37/375951437.db2.gz BXPNCLJSIZUMRX-KGLIPLIRSA-N 2 1 274.474 2.204 20 0 CEADMP COCC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@H]1CCCSC1 ZINC000414758109 375951442 /nfs/dbraw/zinc/95/14/42/375951442.db2.gz BXPNCLJSIZUMRX-KGLIPLIRSA-N 2 1 274.474 2.204 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000414809795 375995664 /nfs/dbraw/zinc/99/56/64/375995664.db2.gz UNESALGSWWLKIO-WMLDXEAASA-N 2 1 284.407 2.479 20 0 CEADMP [NH3+]C[C@@H]([NH2+]CCSCc1ccccc1)C1CC1 ZINC000414814824 376002666 /nfs/dbraw/zinc/00/26/66/376002666.db2.gz SIZUMLDBCRRHLM-CQSZACIVSA-N 2 1 250.411 2.247 20 0 CEADMP CC(C)[C@H](C[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000415114618 376020726 /nfs/dbraw/zinc/02/07/26/376020726.db2.gz WDYXWJKCYXERMG-SJORKVTESA-N 2 1 276.424 2.476 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](C[NH3+])C2CC2)C1 ZINC000414799177 375982312 /nfs/dbraw/zinc/98/23/12/375982312.db2.gz JVCQIXAZORDXRS-COXVUDFISA-N 2 1 273.424 2.149 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1cn(C)nc1-c1cccnc1 ZINC000414799786 375985424 /nfs/dbraw/zinc/98/54/24/375985424.db2.gz HGAGHSJSFWVYIN-UHFFFAOYSA-N 2 1 287.411 2.089 20 0 CEADMP COC(=O)c1coc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414802997 375987736 /nfs/dbraw/zinc/98/77/36/375987736.db2.gz CHXOEUHEJWNJHW-LLVKDONJSA-N 2 1 288.347 2.376 20 0 CEADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414803962 375989145 /nfs/dbraw/zinc/98/91/45/375989145.db2.gz JYXXWUAZVOQCAH-QMTHXVAHSA-N 2 1 295.814 2.384 20 0 CEADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414803963 375989679 /nfs/dbraw/zinc/98/96/79/375989679.db2.gz JYXXWUAZVOQCAH-YGRLFVJLSA-N 2 1 295.814 2.384 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000419210839 376395355 /nfs/dbraw/zinc/39/53/55/376395355.db2.gz VZTBSSYMBBXXJX-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](CC(C)C)OC)C1 ZINC000419215418 376398261 /nfs/dbraw/zinc/39/82/61/376398261.db2.gz LWQUVQJLIQCQME-LSDHHAIUSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](CC(C)C)OC)C1 ZINC000419215418 376398264 /nfs/dbraw/zinc/39/82/64/376398264.db2.gz LWQUVQJLIQCQME-LSDHHAIUSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](CC(C)C)OC)C1 ZINC000419215418 376398266 /nfs/dbraw/zinc/39/82/66/376398266.db2.gz LWQUVQJLIQCQME-LSDHHAIUSA-N 2 1 256.434 2.321 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419296595 376432476 /nfs/dbraw/zinc/43/24/76/376432476.db2.gz SEAOOBBCGPEZKF-ZDUSSCGKSA-N 2 1 295.471 2.286 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)c1ccccc1 ZINC000305845662 376519049 /nfs/dbraw/zinc/51/90/49/376519049.db2.gz SNUOXWHPHKZLKI-INIZCTEOSA-N 2 1 273.380 2.295 20 0 CEADMP COc1nc2ccccc2cc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000556934996 376519999 /nfs/dbraw/zinc/51/99/99/376519999.db2.gz GOGFYYULASGQCS-UHFFFAOYSA-N 2 1 285.391 2.475 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000558419579 376604907 /nfs/dbraw/zinc/60/49/07/376604907.db2.gz RPBJSLRWTOCOJO-ZDUSSCGKSA-N 2 1 288.395 2.490 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000558419579 376604915 /nfs/dbraw/zinc/60/49/15/376604915.db2.gz RPBJSLRWTOCOJO-ZDUSSCGKSA-N 2 1 288.395 2.490 20 0 CEADMP C[C@H]1C[N@@H+](CCCOCc2ccccc2)CC[C@H]1[NH3+] ZINC000309851934 376605885 /nfs/dbraw/zinc/60/58/85/376605885.db2.gz JTPFAZDQSATAQI-GOEBONIOSA-N 2 1 262.397 2.262 20 0 CEADMP CC(C)C(C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)C ZINC000311506402 376672698 /nfs/dbraw/zinc/67/26/98/376672698.db2.gz ZOJXJDIAVHQPAN-GJZGRUSLSA-N 2 1 268.445 2.367 20 0 CEADMP CC(C)C(C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C(C)C ZINC000311506402 376672703 /nfs/dbraw/zinc/67/27/03/376672703.db2.gz ZOJXJDIAVHQPAN-GJZGRUSLSA-N 2 1 268.445 2.367 20 0 CEADMP COc1cccc(OCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420388319 376685867 /nfs/dbraw/zinc/68/58/67/376685867.db2.gz WPZNQTLDBMGAJD-KRWDZBQOSA-N 2 1 290.407 2.150 20 0 CEADMP COc1cccc(OCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420388319 376685877 /nfs/dbraw/zinc/68/58/77/376685877.db2.gz WPZNQTLDBMGAJD-KRWDZBQOSA-N 2 1 290.407 2.150 20 0 CEADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(F)cn1 ZINC000312015203 376698660 /nfs/dbraw/zinc/69/86/60/376698660.db2.gz UZJGJLCLNIKUDI-CYBMUJFWSA-N 2 1 262.332 2.467 20 0 CEADMP CCCC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420983641 376756053 /nfs/dbraw/zinc/75/60/53/376756053.db2.gz QZMZVYUIYIQVQW-UHFFFAOYSA-N 2 1 267.461 2.279 20 0 CEADMP OCC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000421007198 376781755 /nfs/dbraw/zinc/78/17/55/376781755.db2.gz BYMQNIABMWOULQ-INIZCTEOSA-N 2 1 268.445 2.347 20 0 CEADMP C[C@@H](CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000314937181 376788151 /nfs/dbraw/zinc/78/81/51/376788151.db2.gz XXWZBGXFRKWVNY-WMZOPIPTSA-N 2 1 287.451 2.160 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)C[C@H]1CCOc2ccccc21 ZINC000685452311 542140985 /nfs/dbraw/zinc/14/09/85/542140985.db2.gz KVJWNKZEKMJNBC-CQSZACIVSA-N 2 1 262.397 2.436 20 0 CEADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000561532871 376816739 /nfs/dbraw/zinc/81/67/39/376816739.db2.gz SODIXWFVNSFMBR-CABCVRRESA-N 2 1 297.487 2.486 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000422900539 376859164 /nfs/dbraw/zinc/85/91/64/376859164.db2.gz QPWAVHHZTZSAAX-OWLYRPNTSA-N 2 1 287.451 2.161 20 0 CEADMP CC(C)[C@@H](CN[C@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000422936919 376865140 /nfs/dbraw/zinc/86/51/40/376865140.db2.gz ITTWXXBRRXDQQG-ZWKOTPCHSA-N 2 1 287.451 2.021 20 0 CEADMP CC[C@H]([NH2+]CCCc1nc(C(C)C)no1)[C@@H]1CCC[NH2+]1 ZINC000422937820 376867757 /nfs/dbraw/zinc/86/77/57/376867757.db2.gz OYOANXFIAPIKCF-STQMWFEESA-N 2 1 280.416 2.246 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000422949057 376871702 /nfs/dbraw/zinc/87/17/02/376871702.db2.gz SONNCOLIVOJYPW-CHWSQXEVSA-N 2 1 254.761 2.188 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1O ZINC000422978646 376903430 /nfs/dbraw/zinc/90/34/30/376903430.db2.gz ZXRJVAPSWINWMH-OLZOCXBDSA-N 2 1 264.369 2.150 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422957440 376880905 /nfs/dbraw/zinc/88/09/05/376880905.db2.gz UCJXLLJRUIXIJO-YPMHNXCESA-N 2 1 279.453 2.152 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422957150 376881533 /nfs/dbraw/zinc/88/15/33/376881533.db2.gz SCOAFIRTJCXQGH-XEZPLFJOSA-N 2 1 262.397 2.356 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422961394 376887600 /nfs/dbraw/zinc/88/76/00/376887600.db2.gz BPYWWUGJACOMFA-WBVHZDCISA-N 2 1 277.456 2.265 20 0 CEADMP C[C@H]([NH2+]CCCc1ccccn1)c1c[nH+]ccc1N ZINC000422995080 376910440 /nfs/dbraw/zinc/91/04/40/376910440.db2.gz JGFFPHFDSLMXTJ-LBPRGKRZSA-N 2 1 256.353 2.173 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000422998106 376915100 /nfs/dbraw/zinc/91/51/00/376915100.db2.gz PQGLPSMXOYZPHM-JKSUJKDBSA-N 2 1 267.461 2.229 20 0 CEADMP CCOC(=O)c1cnccc1N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000290802568 376931853 /nfs/dbraw/zinc/93/18/53/376931853.db2.gz PYMFCSGYUFCINH-RYUDHWBXSA-N 2 1 289.379 2.295 20 0 CEADMP C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)[C@@H]1CCCC[NH2+]1 ZINC000423018590 376934651 /nfs/dbraw/zinc/93/46/51/376934651.db2.gz ZJBWLIWKWGVZQQ-DOMZBBRYSA-N 2 1 274.412 2.017 20 0 CEADMP CC[C@H]([NH2+][C@@H]1COc2cc(OC)ccc2C1)[C@@H]1CCC[NH2+]1 ZINC000423023717 376939499 /nfs/dbraw/zinc/93/94/99/376939499.db2.gz KHXUBVJWOUYISF-BPUTZDHNSA-N 2 1 290.407 2.119 20 0 CEADMP C[C@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1C[NH2+]C1 ZINC000423065106 376954970 /nfs/dbraw/zinc/95/49/70/376954970.db2.gz SUKKSDRAGDCSRQ-KBXCAEBGSA-N 2 1 287.451 2.095 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000423064574 376955219 /nfs/dbraw/zinc/95/52/19/376955219.db2.gz RTKZWUFZRARIJE-WUHRBBMRSA-N 2 1 294.361 2.200 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000329590910 376967733 /nfs/dbraw/zinc/96/77/33/376967733.db2.gz YRIWPELIIFGZDM-CYBMUJFWSA-N 2 1 299.378 2.323 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000423078584 376970935 /nfs/dbraw/zinc/97/09/35/376970935.db2.gz WHOWYOMGFHLENS-XHSDSOJGSA-N 2 1 265.445 2.253 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000423078584 376970941 /nfs/dbraw/zinc/97/09/41/376970941.db2.gz WHOWYOMGFHLENS-XHSDSOJGSA-N 2 1 265.445 2.253 20 0 CEADMP CC[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423120025 377015540 /nfs/dbraw/zinc/01/55/40/377015540.db2.gz FQROAEGLYZGWBQ-VSZNYVQBSA-N 2 1 288.435 2.273 20 0 CEADMP C[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)[C@@H]1CCC[NH2+]1 ZINC000423124731 377021750 /nfs/dbraw/zinc/02/17/50/377021750.db2.gz HDTWGFJJXURZOG-PWSUYJOCSA-N 2 1 287.329 2.373 20 0 CEADMP CN(C)c1cccnc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423131169 377030798 /nfs/dbraw/zinc/03/07/98/377030798.db2.gz ZLHRJUTYDDDODX-QLFBSQMISA-N 2 1 288.439 2.158 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423143301 377042833 /nfs/dbraw/zinc/04/28/33/377042833.db2.gz WXHCHGAGZDKOAC-RRFJBIMHSA-N 2 1 255.450 2.356 20 0 CEADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CCC(N)=O ZINC000562988823 377046425 /nfs/dbraw/zinc/04/64/25/377046425.db2.gz TVXIOOIMEQVJTA-AWEZNQCLSA-N 2 1 289.423 2.026 20 0 CEADMP C[C@@H]([NH2+]CCCC1CCOCC1)c1c[nH+]ccc1N ZINC000423146016 377047750 /nfs/dbraw/zinc/04/77/50/377047750.db2.gz NMFRJOIROSBEQY-GFCCVEGCSA-N 2 1 263.385 2.352 20 0 CEADMP C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000423088599 376981558 /nfs/dbraw/zinc/98/15/58/376981558.db2.gz SIUMGSNQRKXJME-KBAYOESNSA-N 2 1 287.451 2.239 20 0 CEADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423089951 376982135 /nfs/dbraw/zinc/98/21/35/376982135.db2.gz UIBSASSKNJLZQP-CVEARBPZSA-N 2 1 265.445 2.110 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423093265 376987659 /nfs/dbraw/zinc/98/76/59/376987659.db2.gz GUSLEOPJJPEFOI-NOXHYTERSA-N 2 1 288.391 2.453 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000423100131 376993981 /nfs/dbraw/zinc/99/39/81/376993981.db2.gz GGUCJIDKJQTEHI-UONOGXRCSA-N 2 1 272.396 2.147 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000423109394 377002858 /nfs/dbraw/zinc/00/28/58/377002858.db2.gz NRJANLRAIHFJMZ-MGAJPHDKSA-N 2 1 254.324 2.188 20 0 CEADMP CC[C@H]([NH2+]CCc1cc(C)no1)[C@H]1CCCC[NH2+]1 ZINC000423115503 377011062 /nfs/dbraw/zinc/01/10/62/377011062.db2.gz YBIIAFQKUGFYPA-UONOGXRCSA-N 2 1 251.374 2.036 20 0 CEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cnn(C2CCCC2)c1 ZINC000423195519 377110292 /nfs/dbraw/zinc/11/02/92/377110292.db2.gz ZHXFSPSBPDZKPJ-LBPRGKRZSA-N 2 1 262.401 2.401 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423153387 377054531 /nfs/dbraw/zinc/05/45/31/377054531.db2.gz NHPBFEJBJCELSU-FSUMODHMSA-N 2 1 287.451 2.160 20 0 CEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423171826 377079625 /nfs/dbraw/zinc/07/96/25/377079625.db2.gz QCYGWWSSSYRULJ-YIDVYQOGSA-N 2 1 266.429 2.168 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnccn2)C1 ZINC000563094265 377092968 /nfs/dbraw/zinc/09/29/68/377092968.db2.gz VYSZFVPHUKPIAU-CQSZACIVSA-N 2 1 262.401 2.078 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1(CC)CC ZINC000423179409 377092894 /nfs/dbraw/zinc/09/28/94/377092894.db2.gz DBYVGXKXIAPQKC-MELADBBJSA-N 2 1 254.418 2.312 20 0 CEADMP Cc1c([C@@H](C)[NH2+]C2CC[NH2+]CC2)cnn1C(C)(C)C ZINC000423182443 377094902 /nfs/dbraw/zinc/09/49/02/377094902.db2.gz KJCNWINILDEJNR-LLVKDONJSA-N 2 1 264.417 2.349 20 0 CEADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[NH3+] ZINC000423185815 377100516 /nfs/dbraw/zinc/10/05/16/377100516.db2.gz NMQHJBZKQJQDEK-MRVPVSSYSA-N 2 1 275.165 2.068 20 0 CEADMP F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423190491 377105345 /nfs/dbraw/zinc/10/53/45/377105345.db2.gz RVKDXHRPGZPVAC-KJWHEZOQSA-N 2 1 270.392 2.014 20 0 CEADMP CCOC[C@H]1CCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423192771 377107834 /nfs/dbraw/zinc/10/78/34/377107834.db2.gz WFOWPLBZFUFALC-SJORKVTESA-N 2 1 291.439 2.356 20 0 CEADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C1(C)C ZINC000423273769 377194445 /nfs/dbraw/zinc/19/44/45/377194445.db2.gz JILBRRVFJLBYFF-MELADBBJSA-N 2 1 254.418 2.153 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1nc2ccccc2n1C ZINC000423212049 377128513 /nfs/dbraw/zinc/12/85/13/377128513.db2.gz LMWIDJIYBHNLAX-OLZOCXBDSA-N 2 1 272.396 2.224 20 0 CEADMP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C[NH3+])C1CC1 ZINC000423273843 377197904 /nfs/dbraw/zinc/19/79/04/377197904.db2.gz JPGKRGOBKDJLIM-HZPDHXFCSA-N 2 1 260.381 2.400 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423261120 377178666 /nfs/dbraw/zinc/17/86/66/377178666.db2.gz JBSBWAKUJPBSCN-XHDPSFHLSA-N 2 1 264.417 2.287 20 0 CEADMP CCc1nc2c(s1)[C@@H]([NH2+][C@H](C[NH3+])C1CC1)CCC2 ZINC000423274973 377198238 /nfs/dbraw/zinc/19/82/38/377198238.db2.gz LBTZPMWIXZXMKK-CMPLNLGQSA-N 2 1 265.426 2.410 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000423280594 377207879 /nfs/dbraw/zinc/20/78/79/377207879.db2.gz UVKWELWUQTUTIX-RYUDHWBXSA-N 2 1 260.385 2.079 20 0 CEADMP CC[N@@H+]1C[C@@H](C)N(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@@H](C)C1 ZINC000563409932 377211665 /nfs/dbraw/zinc/21/16/65/377211665.db2.gz XSOIAPYQNAPMPE-HZSPNIEDSA-N 2 1 283.460 2.094 20 0 CEADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c2ccccc2C1 ZINC000423285088 377211679 /nfs/dbraw/zinc/21/16/79/377211679.db2.gz YVEYQYDQCVVAEU-DLBZAZTESA-N 2 1 289.423 2.053 20 0 CEADMP CC(=O)N1CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c2ccccc2C1 ZINC000423285090 377213170 /nfs/dbraw/zinc/21/31/70/377213170.db2.gz YVEYQYDQCVVAEU-IRXDYDNUSA-N 2 1 289.423 2.053 20 0 CEADMP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(C(=O)OC)cc1 ZINC000423288243 377217025 /nfs/dbraw/zinc/21/70/25/377217025.db2.gz REGKWHVDLXODEU-CYBMUJFWSA-N 2 1 264.369 2.251 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)C1(C(=O)OC)CCC1 ZINC000423295003 377221689 /nfs/dbraw/zinc/22/16/89/377221689.db2.gz DDKSDIRFGJDJNJ-OLZOCXBDSA-N 2 1 270.417 2.215 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000423293615 377221775 /nfs/dbraw/zinc/22/17/75/377221775.db2.gz AHOLZRMYUATYHL-HBNTYKKESA-N 2 1 268.323 2.203 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1nc2ccc(Cl)cc2n1C ZINC000423293717 377222723 /nfs/dbraw/zinc/22/27/23/377222723.db2.gz AOSWXEIQSRLREF-VHSXEESVSA-N 2 1 280.803 2.472 20 0 CEADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(Br)c(F)c1 ZINC000423303656 377231752 /nfs/dbraw/zinc/23/17/52/377231752.db2.gz MGQLYVWQIKJDRY-QMMMGPOBSA-N 2 1 287.176 2.458 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423303180 377232118 /nfs/dbraw/zinc/23/21/18/377232118.db2.gz WRFKPPQSEBWFKJ-LXTVHRRPSA-N 2 1 266.429 2.441 20 0 CEADMP COc1cc(C)nc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000563484120 377233865 /nfs/dbraw/zinc/23/38/65/377233865.db2.gz YTJIKBYNJKSVTE-RHSMWYFYSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)nc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000563484120 377233870 /nfs/dbraw/zinc/23/38/70/377233870.db2.gz YTJIKBYNJKSVTE-RHSMWYFYSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000563484120 377233876 /nfs/dbraw/zinc/23/38/76/377233876.db2.gz YTJIKBYNJKSVTE-RHSMWYFYSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)nc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000563484120 377233879 /nfs/dbraw/zinc/23/38/79/377233879.db2.gz YTJIKBYNJKSVTE-RHSMWYFYSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)nc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000563484120 377233886 /nfs/dbraw/zinc/23/38/86/377233886.db2.gz YTJIKBYNJKSVTE-RHSMWYFYSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000563484120 377233892 /nfs/dbraw/zinc/23/38/92/377233892.db2.gz YTJIKBYNJKSVTE-RHSMWYFYSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000563484120 377233895 /nfs/dbraw/zinc/23/38/95/377233895.db2.gz YTJIKBYNJKSVTE-RHSMWYFYSA-N 2 1 289.423 2.315 20 0 CEADMP COC[C@@H]([NH2+]C[C@H](C)C[NH3+])c1cccc(Cl)c1F ZINC000423307891 377237035 /nfs/dbraw/zinc/23/70/35/377237035.db2.gz NWDZGWIAHFJJSS-BXKDBHETSA-N 2 1 274.767 2.351 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1OC ZINC000423310354 377239373 /nfs/dbraw/zinc/23/93/73/377239373.db2.gz ADAWOHNHIKJGBU-GWCFXTLKSA-N 2 1 264.369 2.092 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000423276398 377201075 /nfs/dbraw/zinc/20/10/75/377201075.db2.gz OJLFFFZLOSIORA-XYJFISCASA-N 2 1 289.467 2.485 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000423276398 377201084 /nfs/dbraw/zinc/20/10/84/377201084.db2.gz OJLFFFZLOSIORA-XYJFISCASA-N 2 1 289.467 2.485 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000331202813 377325979 /nfs/dbraw/zinc/32/59/79/377325979.db2.gz ZHZXOIWRTLPVBT-DGCLKSJQSA-N 2 1 264.373 2.217 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000331202813 377325981 /nfs/dbraw/zinc/32/59/81/377325981.db2.gz ZHZXOIWRTLPVBT-DGCLKSJQSA-N 2 1 264.373 2.217 20 0 CEADMP CC(C)[C@H](O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000564401463 377386734 /nfs/dbraw/zinc/38/67/34/377386734.db2.gz IGHOHXHFVCNWSP-OAHLLOKOSA-N 2 1 256.434 2.056 20 0 CEADMP Cc1cnccc1CC[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000564898437 377495532 /nfs/dbraw/zinc/49/55/32/377495532.db2.gz PAYLFELJILMDOR-KRWDZBQOSA-N 2 1 273.424 2.493 20 0 CEADMP c1n[nH]c2c1CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000333268007 377758098 /nfs/dbraw/zinc/75/80/98/377758098.db2.gz JXCJWVNQIXEWSO-CAOSSQGBSA-N 2 1 288.439 2.167 20 0 CEADMP C[C@@H](CC1CCOCC1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432432049 377762660 /nfs/dbraw/zinc/76/26/60/377762660.db2.gz XQJCGMBDEOBJAA-JKSUJKDBSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@@H](CC1CCOCC1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432432049 377762664 /nfs/dbraw/zinc/76/26/64/377762664.db2.gz XQJCGMBDEOBJAA-JKSUJKDBSA-N 2 1 298.471 2.282 20 0 CEADMP CCn1cncc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000333519139 377770267 /nfs/dbraw/zinc/77/02/67/377770267.db2.gz GKAZIFAUCHENRT-DRZSPHRISA-N 2 1 262.357 2.039 20 0 CEADMP CCn1cncc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000333519139 377770274 /nfs/dbraw/zinc/77/02/74/377770274.db2.gz GKAZIFAUCHENRT-DRZSPHRISA-N 2 1 262.357 2.039 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cnc2n1CCCC2 ZINC000566779392 377771562 /nfs/dbraw/zinc/77/15/62/377771562.db2.gz GZSOFQLFLLABRR-CYBMUJFWSA-N 2 1 290.411 2.422 20 0 CEADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000293908177 377819574 /nfs/dbraw/zinc/81/95/74/377819574.db2.gz ZYBXOSKIVQZNME-QWHCGFSZSA-N 2 1 277.412 2.493 20 0 CEADMP CC(C)Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000567507335 377831243 /nfs/dbraw/zinc/83/12/43/377831243.db2.gz YCCQAQUVONUBEE-OAHLLOKOSA-N 2 1 278.444 2.359 20 0 CEADMP CC(C)Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000567507335 377831252 /nfs/dbraw/zinc/83/12/52/377831252.db2.gz YCCQAQUVONUBEE-OAHLLOKOSA-N 2 1 278.444 2.359 20 0 CEADMP C[C@@H](C[NH2+]CC[C@H]1CCOC1)[N@@H+]1CCCC[C@H]1C ZINC000438087126 377881264 /nfs/dbraw/zinc/88/12/64/377881264.db2.gz JZFXEOFXVTUHQN-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](C[NH2+]CC[C@H]1CCOC1)[N@H+]1CCCC[C@H]1C ZINC000438087126 377881270 /nfs/dbraw/zinc/88/12/70/377881270.db2.gz JZFXEOFXVTUHQN-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000438113324 377887825 /nfs/dbraw/zinc/88/78/25/377887825.db2.gz JYCSZGHVJRZEDP-HUUCEWRRSA-N 2 1 254.418 2.077 20 0 CEADMP CO[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441352689 377938029 /nfs/dbraw/zinc/93/80/29/377938029.db2.gz UQEHUJAJXSLLMF-LUKYLMHMSA-N 2 1 298.471 2.375 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441352689 377938035 /nfs/dbraw/zinc/93/80/35/377938035.db2.gz UQEHUJAJXSLLMF-LUKYLMHMSA-N 2 1 298.471 2.375 20 0 CEADMP CO[C@@H]1CC[N@H+](CCC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441352689 377938039 /nfs/dbraw/zinc/93/80/39/377938039.db2.gz UQEHUJAJXSLLMF-LUKYLMHMSA-N 2 1 298.471 2.375 20 0 CEADMP CC(C)[C@H]1CCC[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442881612 378013316 /nfs/dbraw/zinc/01/33/16/378013316.db2.gz ZZIKXRJLATWCSD-HZPDHXFCSA-N 2 1 281.488 2.427 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1C ZINC000442757599 377989798 /nfs/dbraw/zinc/98/97/98/377989798.db2.gz MOYSDDLLJPXDBV-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1C ZINC000442757599 377989802 /nfs/dbraw/zinc/98/98/02/377989802.db2.gz MOYSDDLLJPXDBV-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1F ZINC000442758697 377992227 /nfs/dbraw/zinc/99/22/27/377992227.db2.gz BJVFTBCKWJKHAX-AVGNSLFASA-N 2 1 293.386 2.130 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1F ZINC000442758697 377992232 /nfs/dbraw/zinc/99/22/32/377992232.db2.gz BJVFTBCKWJKHAX-AVGNSLFASA-N 2 1 293.386 2.130 20 0 CEADMP CN(Cc1cc(C(F)(F)F)n[nH]1)C[C@H]1CCC[N@@H+](C)C1 ZINC000442798523 377997191 /nfs/dbraw/zinc/99/71/91/377997191.db2.gz IZTUIJIAQXYXPE-JTQLQIEISA-N 2 1 290.333 2.202 20 0 CEADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058112 378032108 /nfs/dbraw/zinc/03/21/08/378032108.db2.gz JIEBPDMGFGZDTK-CABCVRRESA-N 2 1 299.422 2.389 20 0 CEADMP CC1(C)C[C@H](O)CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000295208535 378052045 /nfs/dbraw/zinc/05/20/45/378052045.db2.gz LFYWUZUXICJDIG-CQSZACIVSA-N 2 1 273.380 2.317 20 0 CEADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000449838761 378236559 /nfs/dbraw/zinc/23/65/59/378236559.db2.gz IHTGZDQMCSUSFB-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449838761 378236561 /nfs/dbraw/zinc/23/65/61/378236561.db2.gz IHTGZDQMCSUSFB-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449838761 378236563 /nfs/dbraw/zinc/23/65/63/378236563.db2.gz IHTGZDQMCSUSFB-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+](C[C@H](O)c1ccccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000266089130 190229643 /nfs/dbraw/zinc/22/96/43/190229643.db2.gz ZBKNAJKGIXZBQS-BBRMVZONSA-N 2 1 280.387 2.133 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000266089130 190229644 /nfs/dbraw/zinc/22/96/44/190229644.db2.gz ZBKNAJKGIXZBQS-BBRMVZONSA-N 2 1 280.387 2.133 20 0 CEADMP C[NH+](C[C@H](O)c1ccccc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000266089130 190229645 /nfs/dbraw/zinc/22/96/45/190229645.db2.gz ZBKNAJKGIXZBQS-BBRMVZONSA-N 2 1 280.387 2.133 20 0 CEADMP C[NH+](C[C@H](O)c1ccccc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000266089130 190229646 /nfs/dbraw/zinc/22/96/46/190229646.db2.gz ZBKNAJKGIXZBQS-BBRMVZONSA-N 2 1 280.387 2.133 20 0 CEADMP O[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000296024992 378394088 /nfs/dbraw/zinc/39/40/88/378394088.db2.gz SEURJLDEOMNSRL-PFJGLKMASA-N 2 1 286.419 2.295 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000278359148 193942513 /nfs/dbraw/zinc/94/25/13/193942513.db2.gz ISCAFBLCOSBGII-UONOGXRCSA-N 2 1 265.376 2.492 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cscn2)[C@@H](C)C1 ZINC000450563574 378476973 /nfs/dbraw/zinc/47/69/73/378476973.db2.gz ISYNUVFESKSDDK-GXTWGEPZSA-N 2 1 267.442 2.348 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cscn2)[C@@H](C)C1 ZINC000450563574 378476977 /nfs/dbraw/zinc/47/69/77/378476977.db2.gz ISYNUVFESKSDDK-GXTWGEPZSA-N 2 1 267.442 2.348 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cscn2)[C@@H](C)C1 ZINC000450563574 378476981 /nfs/dbraw/zinc/47/69/81/378476981.db2.gz ISYNUVFESKSDDK-GXTWGEPZSA-N 2 1 267.442 2.348 20 0 CEADMP CCC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000450605471 378495546 /nfs/dbraw/zinc/49/55/46/378495546.db2.gz ZUYHXNDNUOKOMM-KBMXLJTQSA-N 2 1 266.429 2.096 20 0 CEADMP CCC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000450605471 378495552 /nfs/dbraw/zinc/49/55/52/378495552.db2.gz ZUYHXNDNUOKOMM-KBMXLJTQSA-N 2 1 266.429 2.096 20 0 CEADMP CCC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000450605471 378495559 /nfs/dbraw/zinc/49/55/59/378495559.db2.gz ZUYHXNDNUOKOMM-KBMXLJTQSA-N 2 1 266.429 2.096 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2c1cccc2O ZINC000296691541 378619206 /nfs/dbraw/zinc/61/92/06/378619206.db2.gz LYNVPIRQJJTWSW-AWEZNQCLSA-N 2 1 257.337 2.174 20 0 CEADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1(C)C ZINC000450970868 378666394 /nfs/dbraw/zinc/66/63/94/378666394.db2.gz NZKKOJCZSNNHGW-OWCLPIDISA-N 2 1 298.471 2.015 20 0 CEADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1(C)C ZINC000450970868 378666398 /nfs/dbraw/zinc/66/63/98/378666398.db2.gz NZKKOJCZSNNHGW-OWCLPIDISA-N 2 1 298.471 2.015 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H](C)Cc1cnccn1)[NH+]1CCCC1 ZINC000453068363 378793456 /nfs/dbraw/zinc/79/34/56/378793456.db2.gz ATPBBPBDTLYLCE-HOCLYGCPSA-N 2 1 276.428 2.118 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2cnccn2)C1 ZINC000453103783 378804117 /nfs/dbraw/zinc/80/41/17/378804117.db2.gz DDPJLFPCJFUABW-GJZGRUSLSA-N 2 1 276.428 2.118 20 0 CEADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000453117043 378809081 /nfs/dbraw/zinc/80/90/81/378809081.db2.gz ULDWCYAGRJIAMV-IAGOWNOFSA-N 2 1 291.439 2.359 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]12 ZINC000346821537 218025461 /nfs/dbraw/zinc/02/54/61/218025461.db2.gz AWCSDFXILLBMSD-FVQBIDKESA-N 2 1 282.391 2.246 20 0 CEADMP COCC[N@@H+](CCc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346848778 218036389 /nfs/dbraw/zinc/03/63/89/218036389.db2.gz RBSHEZJIALLCHH-KRWDZBQOSA-N 2 1 276.424 2.177 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@H]12 ZINC000346851801 218036640 /nfs/dbraw/zinc/03/66/40/218036640.db2.gz QYVXBRRRDFWYOJ-HYVNUMGLSA-N 2 1 282.391 2.041 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC[NH+]1CCCC1(C)C ZINC000453401019 378888147 /nfs/dbraw/zinc/88/81/47/378888147.db2.gz OSPVYWKYQXMPOK-RBSFLKMASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCC[N@@H+]1CCCC1(C)C ZINC000453401019 378888156 /nfs/dbraw/zinc/88/81/56/378888156.db2.gz OSPVYWKYQXMPOK-RBSFLKMASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCC[N@H+]1CCCC1(C)C ZINC000453401019 378888165 /nfs/dbraw/zinc/88/81/65/378888165.db2.gz OSPVYWKYQXMPOK-RBSFLKMASA-N 2 1 267.461 2.179 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1C ZINC000453445531 378905992 /nfs/dbraw/zinc/90/59/92/378905992.db2.gz OVFRAZPOTFNDCO-NXHRZFHOSA-N 2 1 290.451 2.137 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1C ZINC000453445531 378905998 /nfs/dbraw/zinc/90/59/98/378905998.db2.gz OVFRAZPOTFNDCO-NXHRZFHOSA-N 2 1 290.451 2.137 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CN1C1CC1 ZINC000453405315 378890359 /nfs/dbraw/zinc/89/03/59/378890359.db2.gz QIDIZJALARLKHA-UONOGXRCSA-N 2 1 265.445 2.076 20 0 CEADMP CC[N@@H+]1CC[C@@H](N(C)c2[nH+]cnc3[nH]ccc32)[C@@H](C)C1 ZINC000266278972 190245465 /nfs/dbraw/zinc/24/54/65/190245465.db2.gz STBWHAQKMGSWMT-WCQYABFASA-N 2 1 273.384 2.124 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)c2[nH+]cnc3[nH]ccc32)[C@@H](C)C1 ZINC000266278972 190245466 /nfs/dbraw/zinc/24/54/66/190245466.db2.gz STBWHAQKMGSWMT-WCQYABFASA-N 2 1 273.384 2.124 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000453422608 378899101 /nfs/dbraw/zinc/89/91/01/378899101.db2.gz MVXGWMTUJJKXPT-HZSPNIEDSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)nc1 ZINC000453424145 378899803 /nfs/dbraw/zinc/89/98/03/378899803.db2.gz MYSGJCBPGGLQFP-IJEWVQPXSA-N 2 1 261.413 2.251 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c2nccn21 ZINC000453363504 378874182 /nfs/dbraw/zinc/87/41/82/378874182.db2.gz RPDRNWNFTOVSRL-ARILJUKYSA-N 2 1 274.412 2.351 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c2nccn21 ZINC000453363504 378874186 /nfs/dbraw/zinc/87/41/86/378874186.db2.gz RPDRNWNFTOVSRL-ARILJUKYSA-N 2 1 274.412 2.351 20 0 CEADMP O[C@H](C[NH2+][C@H]1CCc2cc(Cl)ccc21)C[NH+]1CCCC1 ZINC000299161380 378920472 /nfs/dbraw/zinc/92/04/72/378920472.db2.gz LBRZHSVGTQYOIN-ZBFHGGJFSA-N 2 1 294.826 2.374 20 0 CEADMP COCC[NH+]1CCC([NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000299252812 378943090 /nfs/dbraw/zinc/94/30/90/378943090.db2.gz SZIBGGCXQDHZOB-UHFFFAOYSA-N 2 1 292.423 2.209 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000347078723 218116316 /nfs/dbraw/zinc/11/63/16/218116316.db2.gz WJEPIRRVZMXHCP-GFCCVEGCSA-N 2 1 288.370 2.257 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000347078723 218116317 /nfs/dbraw/zinc/11/63/17/218116317.db2.gz WJEPIRRVZMXHCP-GFCCVEGCSA-N 2 1 288.370 2.257 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000347088612 218116939 /nfs/dbraw/zinc/11/69/39/218116939.db2.gz FLNFTEPUKPWQPS-NSHDSACASA-N 2 1 288.313 2.408 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])ccc1-n1cncn1 ZINC000347108417 218124804 /nfs/dbraw/zinc/12/48/04/218124804.db2.gz MRYDXANWLVHQPK-YOEHRIQHSA-N 2 1 299.422 2.277 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])ccc1-n1cncn1 ZINC000347108417 218124806 /nfs/dbraw/zinc/12/48/06/218124806.db2.gz MRYDXANWLVHQPK-YOEHRIQHSA-N 2 1 299.422 2.277 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000347161644 218142907 /nfs/dbraw/zinc/14/29/07/218142907.db2.gz HEQSWIQNHKPPEP-GFCCVEGCSA-N 2 1 288.420 2.376 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000347161644 218142908 /nfs/dbraw/zinc/14/29/08/218142908.db2.gz HEQSWIQNHKPPEP-GFCCVEGCSA-N 2 1 288.420 2.376 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000289472084 197363410 /nfs/dbraw/zinc/36/34/10/197363410.db2.gz HKEZTSPRXTTXLL-SJORKVTESA-N 2 1 274.408 2.182 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000289472084 197363412 /nfs/dbraw/zinc/36/34/12/197363412.db2.gz HKEZTSPRXTTXLL-SJORKVTESA-N 2 1 274.408 2.182 20 0 CEADMP CN(CCC[N@@H+](C)Cc1cccc(F)c1)CC[NH+](C)C ZINC000289471596 197363119 /nfs/dbraw/zinc/36/31/19/197363119.db2.gz QYPIUQZOVHQQOR-UHFFFAOYSA-N 2 1 281.419 2.141 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(C)(C)CC ZINC000515068989 379184884 /nfs/dbraw/zinc/18/48/84/379184884.db2.gz QMYNJAQAHAESND-UONOGXRCSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)CC ZINC000515068989 379184891 /nfs/dbraw/zinc/18/48/91/379184891.db2.gz QMYNJAQAHAESND-UONOGXRCSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)CC ZINC000515068989 379184896 /nfs/dbraw/zinc/18/48/96/379184896.db2.gz QMYNJAQAHAESND-UONOGXRCSA-N 2 1 256.434 2.200 20 0 CEADMP CC(C)OCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300417593 379171698 /nfs/dbraw/zinc/17/16/98/379171698.db2.gz IDTRKNSRWIUOGU-CABCVRRESA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000515433445 379217865 /nfs/dbraw/zinc/21/78/65/379217865.db2.gz WTYRIJUWBXAFKA-QXSJWSMHSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000515433445 379217874 /nfs/dbraw/zinc/21/78/74/379217874.db2.gz WTYRIJUWBXAFKA-QXSJWSMHSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000515433445 379217884 /nfs/dbraw/zinc/21/78/84/379217884.db2.gz WTYRIJUWBXAFKA-QXSJWSMHSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cncs1 ZINC000278868938 194190409 /nfs/dbraw/zinc/19/04/09/194190409.db2.gz BNRCELVSMJPWDY-GHMZBOCLSA-N 2 1 262.382 2.253 20 0 CEADMP C[C@H]1C[C@@H](C(=O)Nc2ccccc2C[NH+](C)C)CC[N@H+]1C ZINC000517631319 379370347 /nfs/dbraw/zinc/37/03/47/379370347.db2.gz RSGCEPHNQCKTLM-KBPBESRZSA-N 2 1 289.423 2.417 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)C1Cc2ccccc2C1 ZINC000519604643 379447419 /nfs/dbraw/zinc/44/74/19/379447419.db2.gz HYFJRDLVIZNYIG-UHFFFAOYSA-N 2 1 269.392 2.452 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)C1Cc2ccccc2C1 ZINC000519604643 379447427 /nfs/dbraw/zinc/44/74/27/379447427.db2.gz HYFJRDLVIZNYIG-UHFFFAOYSA-N 2 1 269.392 2.452 20 0 CEADMP COC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000519382474 379410282 /nfs/dbraw/zinc/41/02/82/379410282.db2.gz DIJGZQDFGRFFQM-INWMFGNUSA-N 2 1 280.387 2.491 20 0 CEADMP Cn1cncc1CCC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000519420629 379416096 /nfs/dbraw/zinc/41/60/96/379416096.db2.gz LGIDWESFIPSENL-HNNXBMFYSA-N 2 1 277.412 2.101 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000519420629 379416106 /nfs/dbraw/zinc/41/61/06/379416106.db2.gz LGIDWESFIPSENL-HNNXBMFYSA-N 2 1 277.412 2.101 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000519420629 379416116 /nfs/dbraw/zinc/41/61/16/379416116.db2.gz LGIDWESFIPSENL-HNNXBMFYSA-N 2 1 277.412 2.101 20 0 CEADMP CC[C@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1C)[NH+](CC)CC ZINC000266812190 190282181 /nfs/dbraw/zinc/28/21/81/190282181.db2.gz HOSORPKJDDFXTQ-DZGCQCFKSA-N 2 1 294.443 2.064 20 0 CEADMP C[C@@H](C(=O)NCCCC[NH+](C)C1CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000457212126 379715103 /nfs/dbraw/zinc/71/51/03/379715103.db2.gz XEBRQINKUQKZJH-ZNMIVQPWSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@@H](C(=O)NCCCC[N@H+](C)C1CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000457212126 379715104 /nfs/dbraw/zinc/71/51/04/379715104.db2.gz XEBRQINKUQKZJH-ZNMIVQPWSA-N 2 1 295.471 2.238 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+](CCO)C1CCCCC1 ZINC000305648508 379722824 /nfs/dbraw/zinc/72/28/24/379722824.db2.gz SUMYNECOJNFXOD-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+](CCO)C1CCCCC1 ZINC000305648508 379722833 /nfs/dbraw/zinc/72/28/33/379722833.db2.gz SUMYNECOJNFXOD-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCO)C1CCCCC1 ZINC000305648508 379722837 /nfs/dbraw/zinc/72/28/37/379722837.db2.gz SUMYNECOJNFXOD-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP CC[N@H+]1C[C@H](NCc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000347717059 218332433 /nfs/dbraw/zinc/33/24/33/218332433.db2.gz JAZZZOLTZIJKFZ-YOEHRIQHSA-N 2 1 275.440 2.178 20 0 CEADMP CC[N@@H+]1C[C@H](NCc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000347717059 218332436 /nfs/dbraw/zinc/33/24/36/218332436.db2.gz JAZZZOLTZIJKFZ-YOEHRIQHSA-N 2 1 275.440 2.178 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(CO)c1 ZINC000305666663 379726150 /nfs/dbraw/zinc/72/61/50/379726150.db2.gz USBCFRLGMHITML-HIFRSBDPSA-N 2 1 274.408 2.314 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@@H](C)O)CC1 ZINC000305664171 379726477 /nfs/dbraw/zinc/72/64/77/379726477.db2.gz ZDRFCIPAGARNFV-CYBMUJFWSA-N 2 1 265.401 2.065 20 0 CEADMP C[C@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000267270002 190316935 /nfs/dbraw/zinc/31/69/35/190316935.db2.gz SECCUBYGKXENPR-FRRDWIJNSA-N 2 1 290.411 2.347 20 0 CEADMP C[C@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000267270002 190316936 /nfs/dbraw/zinc/31/69/36/190316936.db2.gz SECCUBYGKXENPR-FRRDWIJNSA-N 2 1 290.411 2.347 20 0 CEADMP C[NH+]1CCC(NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527751105 379808324 /nfs/dbraw/zinc/80/83/24/379808324.db2.gz HADMUNUMFODDAG-INIZCTEOSA-N 2 1 265.445 2.077 20 0 CEADMP COCCC1CC[NH+]([C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000527938064 379850882 /nfs/dbraw/zinc/85/08/82/379850882.db2.gz YBRDZZMFTJKDCC-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP COCCC1CC[NH+]([C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000527938064 379850885 /nfs/dbraw/zinc/85/08/85/379850885.db2.gz YBRDZZMFTJKDCC-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457511634 379824788 /nfs/dbraw/zinc/82/47/88/379824788.db2.gz FWYBNMSNQQTWDI-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000528435189 379968776 /nfs/dbraw/zinc/96/87/76/379968776.db2.gz ZNKMBWVKTGQOHQ-DOTOQJQBSA-N 2 1 293.499 2.380 20 0 CEADMP CC(C)C1CC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000488451419 380096530 /nfs/dbraw/zinc/09/65/30/380096530.db2.gz SDVSYVJJGOIETG-GPANFISMSA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@H](C)c1nc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)n[nH]1 ZINC000488465520 380098969 /nfs/dbraw/zinc/09/89/69/380098969.db2.gz SZUSXCDKMWNLPC-RNJOBUHISA-N 2 1 279.432 2.452 20 0 CEADMP CC[C@H](C)c1nc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)n[nH]1 ZINC000488465520 380098973 /nfs/dbraw/zinc/09/89/73/380098973.db2.gz SZUSXCDKMWNLPC-RNJOBUHISA-N 2 1 279.432 2.452 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334351660 380287916 /nfs/dbraw/zinc/28/79/16/380287916.db2.gz GMGXXZGLCQGMMK-KRWDZBQOSA-N 2 1 273.424 2.328 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1(C(=O)OC)CCC1 ZINC000543707108 380336358 /nfs/dbraw/zinc/33/63/58/380336358.db2.gz QBXNBAPHUDLDFO-UONOGXRCSA-N 2 1 282.428 2.040 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccnn1-c1ccccc1 ZINC000545276049 380375940 /nfs/dbraw/zinc/37/59/40/380375940.db2.gz YULDRJNGKZFGTO-AWEZNQCLSA-N 2 1 295.390 2.499 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)cc1Cl ZINC000545866598 380391676 /nfs/dbraw/zinc/39/16/76/380391676.db2.gz DPWDBAOTLBIUES-NHYWBVRUSA-N 2 1 298.814 2.066 20 0 CEADMP COC1(C[N@H+]2CCN3CCC2CC3)CCCCC1 ZINC000334434249 380405748 /nfs/dbraw/zinc/40/57/48/380405748.db2.gz YHDGABHMWDMASH-UHFFFAOYSA-N 2 1 252.402 2.116 20 0 CEADMP CC(C)(O)C[N@@H+](CCC[NH+]1CCCCC1)C1CCOCC1 ZINC000548394716 380510968 /nfs/dbraw/zinc/51/09/68/380510968.db2.gz UANFLMSWHPMSOD-UHFFFAOYSA-N 2 1 298.471 2.114 20 0 CEADMP CN1CCC[C@@H]2C[N@@H+](CC3CCC(=O)CC3)CC[C@@H]21 ZINC000334576455 380625933 /nfs/dbraw/zinc/62/59/33/380625933.db2.gz LALIZYKOKQLGTA-ZBFHGGJFSA-N 2 1 264.413 2.162 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCC(=O)CC3)CC[C@@H]21 ZINC000334576455 380625939 /nfs/dbraw/zinc/62/59/39/380625939.db2.gz LALIZYKOKQLGTA-ZBFHGGJFSA-N 2 1 264.413 2.162 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCC(=O)CC3)CC[C@@H]21 ZINC000334576455 380625945 /nfs/dbraw/zinc/62/59/45/380625945.db2.gz LALIZYKOKQLGTA-ZBFHGGJFSA-N 2 1 264.413 2.162 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCC(=O)CC3)CC[C@@H]21 ZINC000334576455 380625952 /nfs/dbraw/zinc/62/59/52/380625952.db2.gz LALIZYKOKQLGTA-ZBFHGGJFSA-N 2 1 264.413 2.162 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCC(=O)CC3)CC[C@@H]21 ZINC000334576455 380625957 /nfs/dbraw/zinc/62/59/57/380625957.db2.gz LALIZYKOKQLGTA-ZBFHGGJFSA-N 2 1 264.413 2.162 20 0 CEADMP C[C@H]1CC[N@@H+](CC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000552996732 380719589 /nfs/dbraw/zinc/71/95/89/380719589.db2.gz FFAOGOKVCSUVHP-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CC[NH+](CC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000552996732 380719592 /nfs/dbraw/zinc/71/95/92/380719592.db2.gz FFAOGOKVCSUVHP-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP O=C1CCC(C[NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC000347753836 296315779 /nfs/dbraw/zinc/31/57/79/296315779.db2.gz VMZMOVWEXZZWKX-UHFFFAOYSA-N 2 1 264.413 2.306 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)n2c1 ZINC000334821496 207135792 /nfs/dbraw/zinc/13/57/92/207135792.db2.gz OYCXEKQOCUMPSV-UONOGXRCSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1ccc2ncc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)n2c1 ZINC000334821496 207135795 /nfs/dbraw/zinc/13/57/95/207135795.db2.gz OYCXEKQOCUMPSV-UONOGXRCSA-N 2 1 272.396 2.059 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C[C@H]1C[NH3+] ZINC000334819979 207132921 /nfs/dbraw/zinc/13/29/21/207132921.db2.gz KRUUSDYXTHEUQU-IUODEOHRSA-N 2 1 285.391 2.357 20 0 CEADMP CC(C)CO[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000580960315 322358209 /nfs/dbraw/zinc/35/82/09/322358209.db2.gz KAUJNZWUTVLMQP-HNNXBMFYSA-N 2 1 265.401 2.100 20 0 CEADMP CC(C)CO[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000580960315 322358211 /nfs/dbraw/zinc/35/82/11/322358211.db2.gz KAUJNZWUTVLMQP-HNNXBMFYSA-N 2 1 265.401 2.100 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000334859518 207200142 /nfs/dbraw/zinc/20/01/42/207200142.db2.gz ZMWNGNWZPVTQOE-PELKAZGASA-N 2 1 258.287 2.192 20 0 CEADMP Oc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000334866573 207213090 /nfs/dbraw/zinc/21/30/90/207213090.db2.gz AUSNWTUXECPAAI-ZBFHGGJFSA-N 2 1 260.381 2.356 20 0 CEADMP C[C@H]1CSCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000581140571 322372773 /nfs/dbraw/zinc/37/27/73/322372773.db2.gz OXYGEZBLGDAOLR-GFCCVEGCSA-N 2 1 253.415 2.038 20 0 CEADMP C[C@H]1CSCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000581140571 322372776 /nfs/dbraw/zinc/37/27/76/322372776.db2.gz OXYGEZBLGDAOLR-GFCCVEGCSA-N 2 1 253.415 2.038 20 0 CEADMP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000334975178 207397911 /nfs/dbraw/zinc/39/79/11/207397911.db2.gz QIKRMUNEVALHGC-ZYHUDNBSSA-N 2 1 276.359 2.064 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000335336859 208220036 /nfs/dbraw/zinc/22/00/36/208220036.db2.gz VAQYOPKRLPPMGQ-RISCZKNCSA-N 2 1 258.369 2.122 20 0 CEADMP Cc1c[nH+]ccc1OC1CC[NH+](CCCCCO)CC1 ZINC000289348822 197306891 /nfs/dbraw/zinc/30/68/91/197306891.db2.gz GVZULEKKWYYSHQ-UHFFFAOYSA-N 2 1 278.396 2.396 20 0 CEADMP CC[C@@H]([NH2+]CC[N@H+](CC)C(C)C)C1(C(=O)OC)CCC1 ZINC000353843096 220363581 /nfs/dbraw/zinc/36/35/81/220363581.db2.gz LPGADQBFQRPRFY-CQSZACIVSA-N 2 1 284.444 2.428 20 0 CEADMP CC[C@@H]([NH2+]CC[N@@H+](CC)C(C)C)C1(C(=O)OC)CCC1 ZINC000353843096 220363582 /nfs/dbraw/zinc/36/35/82/220363582.db2.gz LPGADQBFQRPRFY-CQSZACIVSA-N 2 1 284.444 2.428 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC2(C(F)(F)F)CCC2)CC1 ZINC000353947920 220427103 /nfs/dbraw/zinc/42/71/03/220427103.db2.gz QDSITANXWUYRKZ-UHFFFAOYSA-N 2 1 294.361 2.419 20 0 CEADMP CC[N@H+]1CC[C@@H](NCCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000345240677 285376622 /nfs/dbraw/zinc/37/66/22/285376622.db2.gz UHAYVTXBGKJAJB-LSDHHAIUSA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+]1CC[C@@H](NCCC[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000345240677 285376623 /nfs/dbraw/zinc/37/66/23/285376623.db2.gz UHAYVTXBGKJAJB-LSDHHAIUSA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+]1CC[C@@H](NCCC[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000345240677 285376624 /nfs/dbraw/zinc/37/66/24/285376624.db2.gz UHAYVTXBGKJAJB-LSDHHAIUSA-N 2 1 255.450 2.037 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000345240677 285376625 /nfs/dbraw/zinc/37/66/25/285376625.db2.gz UHAYVTXBGKJAJB-LSDHHAIUSA-N 3 1 255.450 2.037 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000345240677 285376626 /nfs/dbraw/zinc/37/66/26/285376626.db2.gz UHAYVTXBGKJAJB-LSDHHAIUSA-N 3 1 255.450 2.037 20 0 CEADMP CC[NH+]1CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000345240677 285376627 /nfs/dbraw/zinc/37/66/27/285376627.db2.gz UHAYVTXBGKJAJB-LSDHHAIUSA-N 3 1 255.450 2.037 20 0 CEADMP CC[NH+]1CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000345240677 285376628 /nfs/dbraw/zinc/37/66/28/285376628.db2.gz UHAYVTXBGKJAJB-LSDHHAIUSA-N 3 1 255.450 2.037 20 0 CEADMP Cn1c2ccccc2nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342082342 130243737 /nfs/dbraw/zinc/24/37/37/130243737.db2.gz IEFSFYWZALNPKT-MELADBBJSA-N 2 1 284.407 2.133 20 0 CEADMP Cn1c2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342082342 130243740 /nfs/dbraw/zinc/24/37/40/130243740.db2.gz IEFSFYWZALNPKT-MELADBBJSA-N 2 1 284.407 2.133 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000262698530 131252266 /nfs/dbraw/zinc/25/22/66/131252266.db2.gz GFBYPWSNDREEFO-CJNGLKHVSA-N 2 1 292.427 2.127 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)CC[C@H]1[NH3+] ZINC000299990180 394453083 /nfs/dbraw/zinc/45/30/83/394453083.db2.gz KRSFYHJHNWNWJX-HZSPNIEDSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C[C@H]1C[NH3+] ZINC000299993885 394453415 /nfs/dbraw/zinc/45/34/15/394453415.db2.gz MKGLGNVVIVQVEK-KFWWJZLASA-N 2 1 266.429 2.395 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000305976069 394513734 /nfs/dbraw/zinc/51/37/34/394513734.db2.gz QONQUPLXKNWIEJ-SOUVJXGZSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000305976069 394513737 /nfs/dbraw/zinc/51/37/37/394513737.db2.gz QONQUPLXKNWIEJ-SOUVJXGZSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H](CC(=O)NCC[N@@H+](C)C1CCCC1)C1CC[NH2+]CC1 ZINC000237431931 394492184 /nfs/dbraw/zinc/49/21/84/394492184.db2.gz FYBHOSOCYSLMLJ-AWEZNQCLSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000245393056 394498612 /nfs/dbraw/zinc/49/86/12/394498612.db2.gz CBZSYXLDZNBIJM-HOCLYGCPSA-N 2 1 291.439 2.136 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000245393056 394498615 /nfs/dbraw/zinc/49/86/15/394498615.db2.gz CBZSYXLDZNBIJM-HOCLYGCPSA-N 2 1 291.439 2.136 20 0 CEADMP O[C@@H](C[NH2+]Cc1cccc(C2CC2)c1)C[NH+]1CCCC1 ZINC000421328790 394501116 /nfs/dbraw/zinc/50/11/16/394501116.db2.gz UCQNYQKKZDGFCH-KRWDZBQOSA-N 2 1 274.408 2.110 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000305769702 394511710 /nfs/dbraw/zinc/51/17/10/394511710.db2.gz NDXWCUFNJGTWTM-LVQVYYBASA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@@]1(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC[NH2+]C1 ZINC000062896562 394571131 /nfs/dbraw/zinc/57/11/31/394571131.db2.gz QCHXEHJCYYSGOE-QGZVFWFLSA-N 2 1 295.471 2.147 20 0 CEADMP C[N@H+](CCCCNc1cc[nH+]cc1Cl)C1CC1 ZINC000413350865 394533334 /nfs/dbraw/zinc/53/33/34/394533334.db2.gz YILWXPMZIKMYDR-UHFFFAOYSA-N 2 1 253.777 2.443 20 0 CEADMP C[N@@H+](CCCCNc1cc[nH+]cc1Cl)C1CC1 ZINC000413350865 394533336 /nfs/dbraw/zinc/53/33/36/394533336.db2.gz YILWXPMZIKMYDR-UHFFFAOYSA-N 2 1 253.777 2.443 20 0 CEADMP COC[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309981883 394534591 /nfs/dbraw/zinc/53/45/91/394534591.db2.gz VIYXKQLSSJNOOD-SZMVWBNQSA-N 2 1 288.435 2.475 20 0 CEADMP COC[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309981883 394534592 /nfs/dbraw/zinc/53/45/92/394534592.db2.gz VIYXKQLSSJNOOD-SZMVWBNQSA-N 2 1 288.435 2.475 20 0 CEADMP COC[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309981883 394534593 /nfs/dbraw/zinc/53/45/93/394534593.db2.gz VIYXKQLSSJNOOD-SZMVWBNQSA-N 2 1 288.435 2.475 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCOC1 ZINC000310793028 394536088 /nfs/dbraw/zinc/53/60/88/394536088.db2.gz VPKPFKIXJZABOG-LXTVHRRPSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCOC1 ZINC000310793028 394536091 /nfs/dbraw/zinc/53/60/91/394536091.db2.gz VPKPFKIXJZABOG-LXTVHRRPSA-N 2 1 252.402 2.018 20 0 CEADMP CC1CCC(O)(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000247982653 394536246 /nfs/dbraw/zinc/53/62/46/394536246.db2.gz NDRDAQDYYCSPAP-VUROTCPHSA-N 2 1 280.456 2.344 20 0 CEADMP CC1CCC(O)(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000247982653 394536249 /nfs/dbraw/zinc/53/62/49/394536249.db2.gz NDRDAQDYYCSPAP-VUROTCPHSA-N 2 1 280.456 2.344 20 0 CEADMP CC1CCC(O)(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000247982653 394536252 /nfs/dbraw/zinc/53/62/52/394536252.db2.gz NDRDAQDYYCSPAP-VUROTCPHSA-N 2 1 280.456 2.344 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000311185887 394536776 /nfs/dbraw/zinc/53/67/76/394536776.db2.gz BVXLXDUDQODCKH-ZIAGYGMSSA-N 2 1 254.418 2.406 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000311185887 394536779 /nfs/dbraw/zinc/53/67/79/394536779.db2.gz BVXLXDUDQODCKH-ZIAGYGMSSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@@]1(C)C[NH3+] ZINC000311194598 394536955 /nfs/dbraw/zinc/53/69/55/394536955.db2.gz HHYNLSJSKLDWRD-QMTHXVAHSA-N 2 1 254.324 2.382 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@@]1(C)C[NH3+] ZINC000311194598 394536957 /nfs/dbraw/zinc/53/69/57/394536957.db2.gz HHYNLSJSKLDWRD-QMTHXVAHSA-N 2 1 254.324 2.382 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OC ZINC000049711286 394550815 /nfs/dbraw/zinc/55/08/15/394550815.db2.gz SZVJEFTZNMTDJZ-YPMHNXCESA-N 2 1 264.369 2.015 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OC ZINC000049711286 394550818 /nfs/dbraw/zinc/55/08/18/394550818.db2.gz SZVJEFTZNMTDJZ-YPMHNXCESA-N 2 1 264.369 2.015 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000356938442 394656691 /nfs/dbraw/zinc/65/66/91/394656691.db2.gz SUTZVIXDIWGOQP-LBPRGKRZSA-N 2 1 292.427 2.282 20 0 CEADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccnc1 ZINC000092746266 394661912 /nfs/dbraw/zinc/66/19/12/394661912.db2.gz NPNOEINPDKEAIV-HNNXBMFYSA-N 2 1 290.455 2.006 20 0 CEADMP C[N@H+](Cc1c[nH]nc1C(C)(C)C)CC1CC[NH+](C)CC1 ZINC000093089132 394664231 /nfs/dbraw/zinc/66/42/31/394664231.db2.gz GQINKKSWTVALLB-UHFFFAOYSA-N 2 1 278.444 2.481 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@@H+](C)CC2CC[NH+](C)CC2)CCO1 ZINC000356967974 394665955 /nfs/dbraw/zinc/66/59/55/394665955.db2.gz PLRAGSSAJUEFLD-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccnc3CC2)CC[N@@H+]1C ZINC000421827998 394607569 /nfs/dbraw/zinc/60/75/69/394607569.db2.gz AMIHNRJOXPGDTN-FVQBIDKESA-N 2 1 273.424 2.401 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccnc3CC2)CC[N@H+]1C ZINC000421827998 394607570 /nfs/dbraw/zinc/60/75/70/394607570.db2.gz AMIHNRJOXPGDTN-FVQBIDKESA-N 2 1 273.424 2.401 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCC2)[C@H](C)C1 ZINC000356796916 394616797 /nfs/dbraw/zinc/61/67/97/394616797.db2.gz ZLIJKURZRHRYAS-CVEARBPZSA-N 2 1 298.471 2.282 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263121159 394627331 /nfs/dbraw/zinc/62/73/31/394627331.db2.gz AWOZIKDAEBZPTR-HLLBOEOZSA-N 2 1 295.471 2.131 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000356839470 394627919 /nfs/dbraw/zinc/62/79/19/394627919.db2.gz UPQOSHRGWBUBSI-CYBMUJFWSA-N 2 1 292.427 2.085 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(N)=[NH2+])cc2)C1 ZINC000263955119 394632977 /nfs/dbraw/zinc/63/29/77/394632977.db2.gz HXSHUJCQNMTNFH-BETUJISGSA-N 2 1 274.412 2.148 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000356863690 394634365 /nfs/dbraw/zinc/63/43/65/394634365.db2.gz BNAZIYQOPFEWFT-JKSUJKDBSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1CCCOC1 ZINC000356910923 394650424 /nfs/dbraw/zinc/65/04/24/394650424.db2.gz ZJMHPKQVQSLFMH-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1CCCOC1 ZINC000356910923 394650426 /nfs/dbraw/zinc/65/04/26/394650426.db2.gz ZJMHPKQVQSLFMH-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1NCC[N@@H+](C)C1CCCCC1 ZINC000422706286 394729397 /nfs/dbraw/zinc/72/93/97/394729397.db2.gz UCFAXUCFHZSWEZ-HOCLYGCPSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H](NCC(C)(C)[N@H+]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000422705765 394729975 /nfs/dbraw/zinc/72/99/75/394729975.db2.gz SDIPQMRVNUFWDA-CQSZACIVSA-N 2 1 287.451 2.021 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000422705765 394729978 /nfs/dbraw/zinc/72/99/78/394729978.db2.gz SDIPQMRVNUFWDA-CQSZACIVSA-N 2 1 287.451 2.021 20 0 CEADMP CC(=O)Nc1ccc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422707980 394730467 /nfs/dbraw/zinc/73/04/67/394730467.db2.gz BCQNZBXWENZGNI-CXAGYDPISA-N 2 1 289.423 2.308 20 0 CEADMP C[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000422713314 394733739 /nfs/dbraw/zinc/73/37/39/394733739.db2.gz JKBHADAXCDHMJZ-RKVPGOIHSA-N 2 1 287.451 2.021 20 0 CEADMP C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)C1C[NH2+]C1 ZINC000422731159 394745351 /nfs/dbraw/zinc/74/53/51/394745351.db2.gz LFBMXESTYNLKHQ-MRVPVSSYSA-N 2 1 287.176 2.286 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCn1cnc2ccccc21 ZINC000268796761 394699120 /nfs/dbraw/zinc/69/91/20/394699120.db2.gz DULXCVIHWFEPIA-YCPHGPKFSA-N 2 1 286.423 2.355 20 0 CEADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000357548825 394701317 /nfs/dbraw/zinc/70/13/17/394701317.db2.gz BPDPBNAIVJPTII-GDBMZVCRSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@H]1CC[N@H+](C)C[C@H]1C)CC2 ZINC000357641756 394702468 /nfs/dbraw/zinc/70/24/68/394702468.db2.gz ISUWQECYCWYDBR-KBMXLJTQSA-N 2 1 290.455 2.251 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)CC2 ZINC000357641756 394702471 /nfs/dbraw/zinc/70/24/71/394702471.db2.gz ISUWQECYCWYDBR-KBMXLJTQSA-N 2 1 290.455 2.251 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000422733151 394746512 /nfs/dbraw/zinc/74/65/12/394746512.db2.gz QRCFBWVBIXOYMD-XOKHGSTOSA-N 2 1 293.430 2.406 20 0 CEADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H]1C[C@H]1C ZINC000414114247 394706468 /nfs/dbraw/zinc/70/64/68/394706468.db2.gz LKMQWSIDQCAMHS-OIISXLGYSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)N(Cc2ncc(C[NH+](C)C)s2)C[C@@H]1C[NH3+] ZINC000422561499 394710896 /nfs/dbraw/zinc/71/08/96/394710896.db2.gz LNZHOIWXMUEQJW-AGIUHOORSA-N 2 1 296.484 2.010 20 0 CEADMP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000269182826 394713222 /nfs/dbraw/zinc/71/32/22/394713222.db2.gz AHWWTAYTFRJSET-ZBFHGGJFSA-N 2 1 291.439 2.141 20 0 CEADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358261852 394713915 /nfs/dbraw/zinc/71/39/15/394713915.db2.gz ZTBBAKDEKKKYLB-KSZLIROESA-N 2 1 288.435 2.287 20 0 CEADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358261852 394713918 /nfs/dbraw/zinc/71/39/18/394713918.db2.gz ZTBBAKDEKKKYLB-KSZLIROESA-N 2 1 288.435 2.287 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000414139231 394714561 /nfs/dbraw/zinc/71/45/61/394714561.db2.gz IBXWXBYBNFVOEW-JKJDWNRSSA-N 2 1 266.429 2.405 20 0 CEADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000358281942 394715855 /nfs/dbraw/zinc/71/58/55/394715855.db2.gz DNBQJLFGWZNNFX-BMFZPTHFSA-N 2 1 290.455 2.394 20 0 CEADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000358281942 394715858 /nfs/dbraw/zinc/71/58/58/394715858.db2.gz DNBQJLFGWZNNFX-BMFZPTHFSA-N 2 1 290.455 2.394 20 0 CEADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1C[C@@H]1C ZINC000414146001 394716679 /nfs/dbraw/zinc/71/66/79/394716679.db2.gz MNMLWGUTUVWNSQ-KKUMJFAQSA-N 2 1 267.461 2.037 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422635694 394722428 /nfs/dbraw/zinc/72/24/28/394722428.db2.gz LYUZDXKSRONAMO-GUTXKFCHSA-N 2 1 286.423 2.448 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422738072 394749626 /nfs/dbraw/zinc/74/96/26/394749626.db2.gz JCQWRKHRXPXFFR-LSDHHAIUSA-N 3 1 255.450 2.358 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422738072 394749629 /nfs/dbraw/zinc/74/96/29/394749629.db2.gz JCQWRKHRXPXFFR-LSDHHAIUSA-N 3 1 255.450 2.358 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422704013 394728510 /nfs/dbraw/zinc/72/85/10/394728510.db2.gz OLFOOKWYRCJDBF-VHDGCEQUSA-N 2 1 254.418 2.048 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC(C)(C)[NH3+])C1 ZINC000414809617 394752539 /nfs/dbraw/zinc/75/25/39/394752539.db2.gz VUDGZIPXAWXSIM-HIFRSBDPSA-N 2 1 261.413 2.149 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC(C)(C)[NH3+])C1 ZINC000414809617 394752541 /nfs/dbraw/zinc/75/25/41/394752541.db2.gz VUDGZIPXAWXSIM-HIFRSBDPSA-N 2 1 261.413 2.149 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2(COC)CCC2)C1 ZINC000361307589 394822122 /nfs/dbraw/zinc/82/21/22/394822122.db2.gz HDEDZYMWZHUYGR-MRXNPFEDSA-N 2 1 298.471 2.236 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422744386 394754601 /nfs/dbraw/zinc/75/46/01/394754601.db2.gz SSAMYUGYLQWAEA-GVDBMIGSSA-N 2 1 273.424 2.120 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000422744386 394754603 /nfs/dbraw/zinc/75/46/03/394754603.db2.gz SSAMYUGYLQWAEA-GVDBMIGSSA-N 2 1 273.424 2.120 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000422747278 394756743 /nfs/dbraw/zinc/75/67/43/394756743.db2.gz PQWMUZKZRMQPSR-CZUORRHYSA-N 2 1 298.386 2.463 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414829662 394758351 /nfs/dbraw/zinc/75/83/51/394758351.db2.gz NXPYHWWJPDUHCX-OAHLLOKOSA-N 2 1 284.407 2.270 20 0 CEADMP CCOc1c(OC)cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000422838500 394822552 /nfs/dbraw/zinc/82/25/52/394822552.db2.gz OPLYGVQFGOLBJF-QWHCGFSZSA-N 2 1 294.395 2.072 20 0 CEADMP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422753235 394759428 /nfs/dbraw/zinc/75/94/28/394759428.db2.gz IETVIBZGHFVLQC-CZUORRHYSA-N 2 1 286.423 2.322 20 0 CEADMP C[C@@H]([NH2+]CCn1cnc2ccccc21)c1c[nH+]ccc1N ZINC000422751973 394759640 /nfs/dbraw/zinc/75/96/40/394759640.db2.gz CCBDRJHHDWJONH-GFCCVEGCSA-N 2 1 281.363 2.195 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000414834672 394761436 /nfs/dbraw/zinc/76/14/36/394761436.db2.gz HKUPAJNIIHWLRL-INIZCTEOSA-N 3 1 289.467 2.139 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414834672 394761439 /nfs/dbraw/zinc/76/14/39/394761439.db2.gz HKUPAJNIIHWLRL-INIZCTEOSA-N 2 1 289.467 2.139 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCN(C)c1ccccc1 ZINC000422756513 394762270 /nfs/dbraw/zinc/76/22/70/394762270.db2.gz IYSTUONMCRXYPU-GDBMZVCRSA-N 2 1 261.413 2.101 20 0 CEADMP c1nc(-c2ccccn2)sc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414836935 394762620 /nfs/dbraw/zinc/76/26/20/394762620.db2.gz VDBWKOLTAKBQCO-GFCCVEGCSA-N 2 1 288.420 2.294 20 0 CEADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422758029 394762727 /nfs/dbraw/zinc/76/27/27/394762727.db2.gz DPMZTSPOOSHKSV-GFCCVEGCSA-N 2 1 284.407 2.187 20 0 CEADMP C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422761591 394765640 /nfs/dbraw/zinc/76/56/40/394765640.db2.gz MYLXDRYAHQTFFP-YSVLISHTSA-N 2 1 294.414 2.097 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OC)cc1Cl ZINC000414842640 394765802 /nfs/dbraw/zinc/76/58/02/394765802.db2.gz PHQXMJILDKMUFM-JTQLQIEISA-N 2 1 256.777 2.294 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414843296 394766086 /nfs/dbraw/zinc/76/60/86/394766086.db2.gz NRJCWWMIYMUFNI-UHFFFAOYSA-N 2 1 264.417 2.458 20 0 CEADMP CCc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000414848285 394769175 /nfs/dbraw/zinc/76/91/75/394769175.db2.gz GIJLEQJBUVQRFR-QWRGUYRKSA-N 2 1 253.415 2.183 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000414849708 394769205 /nfs/dbraw/zinc/76/92/05/394769205.db2.gz YFDFOLLJJDXSKW-GFCCVEGCSA-N 2 1 258.369 2.022 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)CC1CCOCC1 ZINC000414954832 394823127 /nfs/dbraw/zinc/82/31/27/394823127.db2.gz NJIQMGNCEYGHQN-KCQAQPDRSA-N 2 1 254.418 2.169 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422771678 394773338 /nfs/dbraw/zinc/77/33/38/394773338.db2.gz XRRZEJWSNPRTCC-UAGQMJEPSA-N 2 1 294.414 2.097 20 0 CEADMP Fc1ccc(-n2nccc2C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414858814 394775013 /nfs/dbraw/zinc/77/50/13/394775013.db2.gz SJJZSAFNFIPNLS-CYBMUJFWSA-N 2 1 288.370 2.101 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(CO)cc2)[C@@H](C)C1 ZINC000272489212 394775121 /nfs/dbraw/zinc/77/51/21/394775121.db2.gz MVZVUSPJPYCWBQ-YOEHRIQHSA-N 2 1 276.424 2.341 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(CO)cc2)[C@@H](C)C1 ZINC000272489212 394775124 /nfs/dbraw/zinc/77/51/24/394775124.db2.gz MVZVUSPJPYCWBQ-YOEHRIQHSA-N 2 1 276.424 2.341 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(CO)cc2)[C@@H](C)C1 ZINC000272489212 394775126 /nfs/dbraw/zinc/77/51/26/394775126.db2.gz MVZVUSPJPYCWBQ-YOEHRIQHSA-N 2 1 276.424 2.341 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1cc(OC)c(OC)cc1SC ZINC000414861654 394775967 /nfs/dbraw/zinc/77/59/67/394775967.db2.gz SQJIMICIKCNGSG-UHFFFAOYSA-N 2 1 284.425 2.125 20 0 CEADMP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000422779340 394778340 /nfs/dbraw/zinc/77/83/40/394778340.db2.gz IGNSNNCPRGDHSC-ULQDDVLXSA-N 2 1 275.440 2.315 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000414866925 394778790 /nfs/dbraw/zinc/77/87/90/394778790.db2.gz NLADPKVWPRRMTO-PVAVHDDUSA-N 2 1 273.424 2.164 20 0 CEADMP C[C@@H]([NH2+]CCCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422782058 394780465 /nfs/dbraw/zinc/78/04/65/394780465.db2.gz MOTIRMRKQGHBGV-DOMZBBRYSA-N 2 1 266.360 2.325 20 0 CEADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000422782630 394781487 /nfs/dbraw/zinc/78/14/87/394781487.db2.gz GTSVPJSHMBJWFO-BZPMIXESSA-N 2 1 266.360 2.323 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@H](C)CCC[NH3+])CC2)[nH+]c1 ZINC000422784224 394782754 /nfs/dbraw/zinc/78/27/54/394782754.db2.gz NTEIRHDFXNRTFO-CQSZACIVSA-N 3 1 276.428 2.076 20 0 CEADMP c1[nH]nc2c1cccc2C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414878060 394783883 /nfs/dbraw/zinc/78/38/83/394783883.db2.gz NDGMDWZDXWFTOP-UHFFFAOYSA-N 2 1 295.390 2.227 20 0 CEADMP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000414879809 394785596 /nfs/dbraw/zinc/78/55/96/394785596.db2.gz JHHKPZBTXRTWCA-AAEUAGOBSA-N 2 1 250.411 2.291 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)NCCC[N@@H+](C)Cc1ccccc1 ZINC000422792775 394790396 /nfs/dbraw/zinc/79/03/96/394790396.db2.gz WKXFNUJLRVSTSB-CABCVRRESA-N 2 1 263.429 2.224 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000422792775 394790399 /nfs/dbraw/zinc/79/03/99/394790399.db2.gz WKXFNUJLRVSTSB-CABCVRRESA-N 3 1 263.429 2.224 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000422792775 394790403 /nfs/dbraw/zinc/79/04/03/394790403.db2.gz WKXFNUJLRVSTSB-CABCVRRESA-N 3 1 263.429 2.224 20 0 CEADMP [NH3+]CCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000414899329 394795065 /nfs/dbraw/zinc/79/50/65/394795065.db2.gz FLHYRWTWJOEHMT-FGTMMUONSA-N 3 1 287.451 2.226 20 0 CEADMP FC1(F)Oc2cccc(C[NH2+]CC[C@H]3CCC[NH2+]3)c2O1 ZINC000414900361 394795948 /nfs/dbraw/zinc/79/59/48/394795948.db2.gz DHCPLCVECIVMLA-LLVKDONJSA-N 2 1 284.306 2.240 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414910352 394800077 /nfs/dbraw/zinc/80/00/77/394800077.db2.gz UWVSXNKFRITTRC-RBSFLKMASA-N 3 1 253.434 2.029 20 0 CEADMP C[C@H](NCCc1[nH+]ccn1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422815286 394807683 /nfs/dbraw/zinc/80/76/83/394807683.db2.gz BGXNJXUCMAVXLK-DOTOQJQBSA-N 2 1 298.434 2.204 20 0 CEADMP C[C@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422815286 394807684 /nfs/dbraw/zinc/80/76/84/394807684.db2.gz BGXNJXUCMAVXLK-DOTOQJQBSA-N 2 1 298.434 2.204 20 0 CEADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)C[NH3+])c(Cl)c1 ZINC000414931796 394808607 /nfs/dbraw/zinc/80/86/07/394808607.db2.gz RUFFUMHTMHMLSN-WDEREUQCSA-N 2 1 283.803 2.302 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000414950120 394819515 /nfs/dbraw/zinc/81/95/15/394819515.db2.gz FUSWWMBXKLQHBZ-YPMHNXCESA-N 2 1 288.420 2.293 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414952326 394821575 /nfs/dbraw/zinc/82/15/75/394821575.db2.gz KFUSCVMSPSZFAZ-BBRMVZONSA-N 2 1 274.408 2.284 20 0 CEADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422920590 394863501 /nfs/dbraw/zinc/86/35/01/394863501.db2.gz NCRBRQFPNINBBK-YJNKXOJESA-N 2 1 254.418 2.025 20 0 CEADMP C[N@@H+](Cc1ccc(-c2ccc(F)cc2)s1)C[C@@H](O)C[NH3+] ZINC000415052599 394866195 /nfs/dbraw/zinc/86/61/95/394866195.db2.gz IHHOSYORQCZUSE-ZDUSSCGKSA-N 2 1 294.395 2.306 20 0 CEADMP C[N@H+](Cc1ccc(-c2ccc(F)cc2)s1)C[C@@H](O)C[NH3+] ZINC000415052599 394866197 /nfs/dbraw/zinc/86/61/97/394866197.db2.gz IHHOSYORQCZUSE-ZDUSSCGKSA-N 2 1 294.395 2.306 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000129442245 394866556 /nfs/dbraw/zinc/86/65/56/394866556.db2.gz HQYZBDDEBHFDHM-HIFRSBDPSA-N 2 1 292.423 2.319 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415059028 394868396 /nfs/dbraw/zinc/86/83/96/394868396.db2.gz UKSQJCXPMPGZPP-GTPINHCMSA-N 2 1 281.488 2.475 20 0 CEADMP C[N@@H+](Cc1ccc(F)c(-c2cccs2)c1)C[C@@H](O)C[NH3+] ZINC000415062629 394869707 /nfs/dbraw/zinc/86/97/07/394869707.db2.gz YXEFFAFCQKZXSK-LBPRGKRZSA-N 2 1 294.395 2.306 20 0 CEADMP C[N@H+](Cc1ccc(F)c(-c2cccs2)c1)C[C@@H](O)C[NH3+] ZINC000415062629 394869709 /nfs/dbraw/zinc/86/97/09/394869709.db2.gz YXEFFAFCQKZXSK-LBPRGKRZSA-N 2 1 294.395 2.306 20 0 CEADMP CCC[N@H+](CCn1cc[nH+]c1C)C[C@@H]1CCCCO1 ZINC000336799002 394873501 /nfs/dbraw/zinc/87/35/01/394873501.db2.gz HBEPKPKCXWVSEW-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP CCC[N@@H+](CCn1cc[nH+]c1C)C[C@@H]1CCCCO1 ZINC000336799002 394873504 /nfs/dbraw/zinc/87/35/04/394873504.db2.gz HBEPKPKCXWVSEW-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP COc1ccc(OCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000129852449 394876092 /nfs/dbraw/zinc/87/60/92/394876092.db2.gz VHTTZLKCPKDYDP-KGLIPLIRSA-N 2 1 278.396 2.146 20 0 CEADMP Cn1ncc(Cl)c1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000130310099 394885585 /nfs/dbraw/zinc/88/55/85/394885585.db2.gz GJIJIAVXENZXNS-UHFFFAOYSA-N 2 1 292.814 2.425 20 0 CEADMP COc1cc(Cl)ccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415078105 394878199 /nfs/dbraw/zinc/87/81/99/394878199.db2.gz IHQBNVDWVKLQKH-NSHDSACASA-N 2 1 268.788 2.438 20 0 CEADMP CC[NH+](CCCCC[N@H+](CC)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000361587926 394833135 /nfs/dbraw/zinc/83/31/35/394833135.db2.gz LFKJGHWRVVDQRG-IAGOWNOFSA-N 2 1 298.471 2.378 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000422859078 394833504 /nfs/dbraw/zinc/83/35/04/394833504.db2.gz JPMLOIGAZIDEKY-RBSFLKMASA-N 3 1 255.450 2.356 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000422859078 394833508 /nfs/dbraw/zinc/83/35/08/394833508.db2.gz JPMLOIGAZIDEKY-RBSFLKMASA-N 3 1 255.450 2.356 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC(F)F)c(OC)c1 ZINC000414976996 394833734 /nfs/dbraw/zinc/83/37/34/394833734.db2.gz JFLGPSJBVGSTPA-JTQLQIEISA-N 2 1 274.311 2.124 20 0 CEADMP CC1CCN(c2ccc(C[NH2+]CC(C)(C)[NH3+])cn2)CC1 ZINC000415086052 394882882 /nfs/dbraw/zinc/88/28/82/394882882.db2.gz RDZAEJTZCMQSEE-UHFFFAOYSA-N 2 1 276.428 2.145 20 0 CEADMP COC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC000363697263 394883146 /nfs/dbraw/zinc/88/31/46/394883146.db2.gz SXQFHCACSADWHA-UKRRQHHQSA-N 2 1 277.412 2.240 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422869560 394840651 /nfs/dbraw/zinc/84/06/51/394840651.db2.gz XNGOXJFKZBRGLZ-KGLIPLIRSA-N 2 1 290.455 2.231 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000422869560 394840654 /nfs/dbraw/zinc/84/06/54/394840654.db2.gz XNGOXJFKZBRGLZ-KGLIPLIRSA-N 2 1 290.455 2.231 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422874024 394841872 /nfs/dbraw/zinc/84/18/72/394841872.db2.gz BWHKWCFRUFCQEH-OWCLPIDISA-N 3 1 269.477 2.462 20 0 CEADMP C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422873428 394842612 /nfs/dbraw/zinc/84/26/12/394842612.db2.gz AFSVUUNRNSYDLK-TWMKSMIVSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422873428 394842619 /nfs/dbraw/zinc/84/26/19/394842619.db2.gz AFSVUUNRNSYDLK-TWMKSMIVSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422873428 394842624 /nfs/dbraw/zinc/84/26/24/394842624.db2.gz AFSVUUNRNSYDLK-TWMKSMIVSA-N 3 1 281.488 2.475 20 0 CEADMP CC[N@@H+](CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])C1CC1 ZINC000422876289 394843825 /nfs/dbraw/zinc/84/38/25/394843825.db2.gz FLMKBQZIOPKHGD-YOEHRIQHSA-N 2 1 275.440 2.019 20 0 CEADMP CC(C)c1nc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)cs1 ZINC000422903877 394857339 /nfs/dbraw/zinc/85/73/39/394857339.db2.gz PGJXFANGXNXAPZ-YPMHNXCESA-N 2 1 267.442 2.397 20 0 CEADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]C[C@@H]2CCSC2)cc1 ZINC000415037135 394858423 /nfs/dbraw/zinc/85/84/23/394858423.db2.gz GIBXGHAUFKHGHR-AEGPPILISA-N 2 1 262.422 2.085 20 0 CEADMP Cc1csc(CCCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000422909585 394858525 /nfs/dbraw/zinc/85/85/25/394858525.db2.gz OJBLESJCGWXTHP-AAEUAGOBSA-N 2 1 267.442 2.362 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCC[C@H]2[NH3+])c1 ZINC000422913425 394861137 /nfs/dbraw/zinc/86/11/37/394861137.db2.gz QBOJABQYSLCBJJ-SJORKVTESA-N 2 1 275.440 2.496 20 0 CEADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000422913425 394861142 /nfs/dbraw/zinc/86/11/42/394861142.db2.gz QBOJABQYSLCBJJ-SJORKVTESA-N 3 1 275.440 2.496 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000422913425 394861145 /nfs/dbraw/zinc/86/11/45/394861145.db2.gz QBOJABQYSLCBJJ-SJORKVTESA-N 3 1 275.440 2.496 20 0 CEADMP C[NH2+]CCCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423208595 394887977 /nfs/dbraw/zinc/88/79/77/394887977.db2.gz ZKAHKZYFLWTGIN-CVEARBPZSA-N 2 1 261.413 2.021 20 0 CEADMP CC(C)[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000130533147 394889714 /nfs/dbraw/zinc/88/97/14/394889714.db2.gz VGWHHTCEPKHDKP-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000415108973 394892544 /nfs/dbraw/zinc/89/25/44/394892544.db2.gz LILMHUQKEMHYCW-MJVIPROJSA-N 2 1 251.349 2.402 20 0 CEADMP c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)CO2 ZINC000423570723 394953353 /nfs/dbraw/zinc/95/33/53/394953353.db2.gz XAKWVCUKECUWCO-HUUCEWRRSA-N 2 1 260.381 2.112 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccncc1F ZINC000423347745 394895745 /nfs/dbraw/zinc/89/57/45/394895745.db2.gz RYJBDVXIJWBCSE-BXUZGUMPSA-N 2 1 251.349 2.261 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1C ZINC000415124311 394897982 /nfs/dbraw/zinc/89/79/82/394897982.db2.gz KCAACEGUKJVENU-IUODEOHRSA-N 2 1 262.397 2.420 20 0 CEADMP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(F)cn1 ZINC000423353948 394898684 /nfs/dbraw/zinc/89/86/84/394898684.db2.gz CGYLKNGSBJFWAC-OLZOCXBDSA-N 2 1 251.349 2.404 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423356333 394899180 /nfs/dbraw/zinc/89/91/80/394899180.db2.gz GNNDTYQTPOVLLJ-NRSFXHEJSA-N 2 1 287.451 2.410 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423376183 394907433 /nfs/dbraw/zinc/90/74/33/394907433.db2.gz KUQANWPTBRXWEN-QEJZJMRPSA-N 2 1 260.381 2.110 20 0 CEADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000423378690 394908405 /nfs/dbraw/zinc/90/84/05/394908405.db2.gz MOVOVIKFPBEDIS-MQIPJXDCSA-N 2 1 275.396 2.436 20 0 CEADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000131411339 394910602 /nfs/dbraw/zinc/91/06/02/394910602.db2.gz CZRUJOLZYBWPKA-HUUCEWRRSA-N 2 1 255.450 2.038 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000131411339 394910604 /nfs/dbraw/zinc/91/06/04/394910604.db2.gz CZRUJOLZYBWPKA-HUUCEWRRSA-N 3 1 255.450 2.038 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000131411339 394910606 /nfs/dbraw/zinc/91/06/06/394910606.db2.gz CZRUJOLZYBWPKA-HUUCEWRRSA-N 3 1 255.450 2.038 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1OC ZINC000131491961 394912712 /nfs/dbraw/zinc/91/27/12/394912712.db2.gz HSYQVEGBOVICCT-YPMHNXCESA-N 2 1 264.369 2.015 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1OC ZINC000131491961 394912715 /nfs/dbraw/zinc/91/27/15/394912715.db2.gz HSYQVEGBOVICCT-YPMHNXCESA-N 2 1 264.369 2.015 20 0 CEADMP CCc1cc(NCCCCC[NH+]2CCCC2)nc(C)[nH+]1 ZINC000338759231 394928046 /nfs/dbraw/zinc/92/80/46/394928046.db2.gz AVUNKSOPWJOBGI-UHFFFAOYSA-N 2 1 276.428 2.447 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000423472316 394928470 /nfs/dbraw/zinc/92/84/70/394928470.db2.gz QCGHMVNUJKQLHB-WCQYABFASA-N 2 1 264.369 2.236 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c2ccccc21 ZINC000423483485 394931493 /nfs/dbraw/zinc/93/14/93/394931493.db2.gz XWEMYUKLXZIIRZ-RKLWJJNISA-N 2 1 290.407 2.494 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@H](C)C2 ZINC000423488125 394933053 /nfs/dbraw/zinc/93/30/53/394933053.db2.gz DLEKCZGITIRROP-UKPHBRMFSA-N 2 1 274.408 2.196 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc21 ZINC000423490536 394934398 /nfs/dbraw/zinc/93/43/98/394934398.db2.gz HXPPCRQXFUJSLV-IOASZLSFSA-N 2 1 260.381 2.203 20 0 CEADMP CN1CC[NH2+]C[C@H]1C[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423503425 394938622 /nfs/dbraw/zinc/93/86/22/394938622.db2.gz FPAUWYIFRYRZBM-INIZCTEOSA-N 2 1 279.472 2.373 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423510888 394941208 /nfs/dbraw/zinc/94/12/08/394941208.db2.gz SQNDCKFRMXTNOW-DHSIGJKJSA-N 2 1 287.451 2.464 20 0 CEADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000423509751 394941640 /nfs/dbraw/zinc/94/16/40/394941640.db2.gz JDFLDHLMZPJFHK-HUUCEWRRSA-N 2 1 262.397 2.333 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC12CCOCC2 ZINC000367066452 394957131 /nfs/dbraw/zinc/95/71/31/394957131.db2.gz MQKKGJXDRPXBNO-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC12CCOCC2 ZINC000367066452 394957134 /nfs/dbraw/zinc/95/71/34/394957134.db2.gz MQKKGJXDRPXBNO-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cnccn2)C[C@@H]1c1ccccc1 ZINC000340317926 394984397 /nfs/dbraw/zinc/98/43/97/394984397.db2.gz QTTKYPUGPDXHNL-SJLPKXTDSA-N 2 1 296.418 2.444 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cnccn2)C[C@@H]1c1ccccc1 ZINC000340317926 394984400 /nfs/dbraw/zinc/98/44/00/394984400.db2.gz QTTKYPUGPDXHNL-SJLPKXTDSA-N 2 1 296.418 2.444 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415996135 394995255 /nfs/dbraw/zinc/99/52/55/394995255.db2.gz MIWNTBQXAXLQDU-LBPRGKRZSA-N 2 1 290.411 2.142 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)c1ccccc1)CC2 ZINC000369126649 394996196 /nfs/dbraw/zinc/99/61/96/394996196.db2.gz MEYZIUFQSIOFSH-MRXNPFEDSA-N 2 1 274.408 2.280 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)c1ccccc1)CC2 ZINC000369126649 394996200 /nfs/dbraw/zinc/99/62/00/394996200.db2.gz MEYZIUFQSIOFSH-MRXNPFEDSA-N 2 1 274.408 2.280 20 0 CEADMP CCO[C@H](CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000155716924 395029023 /nfs/dbraw/zinc/02/90/23/395029023.db2.gz ZJBVXEHYNNYGTH-SOUVJXGZSA-N 2 1 256.434 2.367 20 0 CEADMP CC(C)n1ccnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342102091 395009983 /nfs/dbraw/zinc/00/99/83/395009983.db2.gz LOYHPKONMGVYHH-MELADBBJSA-N 2 1 262.401 2.023 20 0 CEADMP CC(C)n1ccnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342102091 395009988 /nfs/dbraw/zinc/00/99/88/395009988.db2.gz LOYHPKONMGVYHH-MELADBBJSA-N 2 1 262.401 2.023 20 0 CEADMP CCC[NH+](CCC)CCCN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000342862990 395025490 /nfs/dbraw/zinc/02/54/90/395025490.db2.gz VCBVTBQGECDQLL-LSDHHAIUSA-N 2 1 255.450 2.038 20 0 CEADMP COCCOCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340208482 394980237 /nfs/dbraw/zinc/98/02/37/394980237.db2.gz JSTXESHYMQEJED-IRXDYDNUSA-N 2 1 292.423 2.075 20 0 CEADMP COCCOCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340208482 394980240 /nfs/dbraw/zinc/98/02/40/394980240.db2.gz JSTXESHYMQEJED-IRXDYDNUSA-N 2 1 292.423 2.075 20 0 CEADMP CC[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)[NH+](CC)CC ZINC000344987346 395061280 /nfs/dbraw/zinc/06/12/80/395061280.db2.gz UQIUGXGXWWLZRT-MRXNPFEDSA-N 2 1 297.487 2.488 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCn3ccnc3)C2)CC1 ZINC000161902554 395067484 /nfs/dbraw/zinc/06/74/84/395067484.db2.gz XKYRKPATFAJAIW-KRWDZBQOSA-N 3 1 290.455 2.327 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC000161902554 395067487 /nfs/dbraw/zinc/06/74/87/395067487.db2.gz XKYRKPATFAJAIW-KRWDZBQOSA-N 3 1 290.455 2.327 20 0 CEADMP CC[C@@]1(CO)CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000426461705 395075648 /nfs/dbraw/zinc/07/56/48/395075648.db2.gz QYHKVFLAGVGPFP-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP CC[C@@]1(CO)CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000426461705 395075652 /nfs/dbraw/zinc/07/56/52/395075652.db2.gz QYHKVFLAGVGPFP-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP CC[C@@]1(CO)CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000426461705 395075654 /nfs/dbraw/zinc/07/56/54/395075654.db2.gz QYHKVFLAGVGPFP-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOCC12CCC2 ZINC000162620675 395077041 /nfs/dbraw/zinc/07/70/41/395077041.db2.gz GBVCPAXWQBVRHX-UHFFFAOYSA-N 2 1 263.385 2.227 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOCC12CCC2 ZINC000162620675 395077044 /nfs/dbraw/zinc/07/70/44/395077044.db2.gz GBVCPAXWQBVRHX-UHFFFAOYSA-N 2 1 263.385 2.227 20 0 CEADMP CO[C@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000374578782 395084265 /nfs/dbraw/zinc/08/42/65/395084265.db2.gz WBIGFIKZJHWMEJ-ZIAGYGMSSA-N 2 1 277.412 2.372 20 0 CEADMP CO[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000374682387 395085447 /nfs/dbraw/zinc/08/54/47/395085447.db2.gz ZIBXFOXWNPUQST-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000374682387 395085452 /nfs/dbraw/zinc/08/54/52/395085452.db2.gz ZIBXFOXWNPUQST-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000374682387 395085458 /nfs/dbraw/zinc/08/54/58/395085458.db2.gz ZIBXFOXWNPUQST-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)SCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374921021 395088618 /nfs/dbraw/zinc/08/86/18/395088618.db2.gz YUNMNOJQKJFKQD-OAHLLOKOSA-N 2 1 299.528 2.228 20 0 CEADMP CC(C)SCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374921020 395088732 /nfs/dbraw/zinc/08/87/32/395088732.db2.gz YUNMNOJQKJFKQD-HNNXBMFYSA-N 2 1 299.528 2.228 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1ccnc(OC2CCCC2)c1 ZINC000343285995 395035831 /nfs/dbraw/zinc/03/58/31/395035831.db2.gz YCFIHAMNRQZFGD-CJNGLKHVSA-N 2 1 289.423 2.443 20 0 CEADMP CC(C)[C@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000376939505 395132089 /nfs/dbraw/zinc/13/20/89/395132089.db2.gz NKUMYSNTSOUSNK-GDBMZVCRSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+]1CCCCC1 ZINC000427495238 395116884 /nfs/dbraw/zinc/11/68/84/395116884.db2.gz NHLOSXGVWHNJQY-CVEARBPZSA-N 2 1 297.487 2.342 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000347009019 395117521 /nfs/dbraw/zinc/11/75/21/395117521.db2.gz FKXDPOBAJOKBRB-GDBMZVCRSA-N 2 1 288.439 2.241 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000347788923 395128566 /nfs/dbraw/zinc/12/85/66/395128566.db2.gz RQQCMGAEQHTPMH-RBSFLKMASA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000347788923 395128571 /nfs/dbraw/zinc/12/85/71/395128571.db2.gz RQQCMGAEQHTPMH-RBSFLKMASA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000347788923 395128577 /nfs/dbraw/zinc/12/85/77/395128577.db2.gz RQQCMGAEQHTPMH-RBSFLKMASA-N 2 1 268.445 2.200 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(O)c2)C1 ZINC000290490901 395105434 /nfs/dbraw/zinc/10/54/34/395105434.db2.gz OPKGUUPTSZVPMN-GOEBONIOSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(O)c2)C1 ZINC000290490901 395105437 /nfs/dbraw/zinc/10/54/37/395105437.db2.gz OPKGUUPTSZVPMN-GOEBONIOSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(O)c2)C1 ZINC000290490901 395105439 /nfs/dbraw/zinc/10/54/39/395105439.db2.gz OPKGUUPTSZVPMN-GOEBONIOSA-N 2 1 260.381 2.308 20 0 CEADMP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)[C@H](CC)CN1C(C)=O ZINC000348204447 395138100 /nfs/dbraw/zinc/13/81/00/395138100.db2.gz SOVWJTUVWZHEDZ-BRWVUGGUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)[C@H](CC)CN1C(C)=O ZINC000348204447 395138106 /nfs/dbraw/zinc/13/81/06/395138106.db2.gz SOVWJTUVWZHEDZ-BRWVUGGUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)[C@H](CC)CN1C(C)=O ZINC000348204447 395138112 /nfs/dbraw/zinc/13/81/12/395138112.db2.gz SOVWJTUVWZHEDZ-BRWVUGGUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)[C@H](CC)CN1C(C)=O ZINC000348204447 395138118 /nfs/dbraw/zinc/13/81/18/395138118.db2.gz SOVWJTUVWZHEDZ-BRWVUGGUSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000348207293 395138198 /nfs/dbraw/zinc/13/81/98/395138198.db2.gz OSTQNCKPJIMDJG-YIYPIFLZSA-N 2 1 256.459 2.448 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494682800 395134741 /nfs/dbraw/zinc/13/47/41/395134741.db2.gz SGMSLVQWJQTRFH-CVEARBPZSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1cc(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n(C)n1 ZINC000417862444 395150976 /nfs/dbraw/zinc/15/09/76/395150976.db2.gz CIEJZHFTJJXJPF-OKILXGFUSA-N 2 1 278.444 2.186 20 0 CEADMP Cc1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n(C)n1 ZINC000417862444 395150980 /nfs/dbraw/zinc/15/09/80/395150980.db2.gz CIEJZHFTJJXJPF-OKILXGFUSA-N 2 1 278.444 2.186 20 0 CEADMP Cc1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n(C)n1 ZINC000417862444 395150982 /nfs/dbraw/zinc/15/09/82/395150982.db2.gz CIEJZHFTJJXJPF-OKILXGFUSA-N 2 1 278.444 2.186 20 0 CEADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000348788344 395151240 /nfs/dbraw/zinc/15/12/40/395151240.db2.gz ZNEPKNTYCKUYTA-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000348788344 395151244 /nfs/dbraw/zinc/15/12/44/395151244.db2.gz ZNEPKNTYCKUYTA-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CN(C)C(=O)c1ccccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000417844329 395144088 /nfs/dbraw/zinc/14/40/88/395144088.db2.gz PYDVDUYVXASIGF-UHFFFAOYSA-N 2 1 291.439 2.066 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1F ZINC000291804055 395164338 /nfs/dbraw/zinc/16/43/38/395164338.db2.gz XNGNZPLBFVTCAQ-LLVKDONJSA-N 2 1 254.349 2.122 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1(C)COC1 ZINC000429229235 395157617 /nfs/dbraw/zinc/15/76/17/395157617.db2.gz SZZQKIUMOVCCQH-UHFFFAOYSA-N 2 1 265.401 2.194 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1(C)COC1 ZINC000429229235 395157621 /nfs/dbraw/zinc/15/76/21/395157621.db2.gz SZZQKIUMOVCCQH-UHFFFAOYSA-N 2 1 265.401 2.194 20 0 CEADMP CO[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000178456928 395167702 /nfs/dbraw/zinc/16/77/02/395167702.db2.gz RGQJKTOYRVWJMT-BMFZPTHFSA-N 2 1 262.397 2.446 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](OC)c2ccccc2)C1 ZINC000380867163 395169515 /nfs/dbraw/zinc/16/95/15/395169515.db2.gz GNOTUIDFIJBLFL-ZBFHGGJFSA-N 2 1 262.397 2.306 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CC12CCOCC2 ZINC000437026928 395174343 /nfs/dbraw/zinc/17/43/43/395174343.db2.gz XNTAFMGLHFSNSL-APIJFGDWSA-N 2 1 266.429 2.121 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]CC2(O)CCC(C)CC2)C1 ZINC000516762119 395184006 /nfs/dbraw/zinc/18/40/06/395184006.db2.gz VGFGVVTZKNXBAM-HWOWSKLDSA-N 2 1 268.445 2.249 20 0 CEADMP Cc1cnccc1CCN1CCC[N@H+](C(C)C)CC1 ZINC000519716249 395213883 /nfs/dbraw/zinc/21/38/83/395213883.db2.gz QZXTUNBPNDXZSC-UHFFFAOYSA-N 2 1 261.413 2.349 20 0 CEADMP CCCn1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cn1 ZINC000397298967 395220717 /nfs/dbraw/zinc/22/07/17/395220717.db2.gz CMMHDRQSILLDBF-GUTXKFCHSA-N 2 1 264.417 2.098 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)sn1 ZINC000404489775 395283969 /nfs/dbraw/zinc/28/39/69/395283969.db2.gz QKSHTWGVAHLUGU-LLVKDONJSA-N 2 1 253.415 2.273 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420322337 395325449 /nfs/dbraw/zinc/32/54/49/395325449.db2.gz DRUUOHXMYAWXRI-STQMWFEESA-N 2 1 294.361 2.277 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)[C@@H]2CCC[C@H]21 ZINC000353505804 395300827 /nfs/dbraw/zinc/30/08/27/395300827.db2.gz WFHVLEXVEXSCLE-IECFSIQFSA-N 2 1 286.419 2.107 20 0 CEADMP CC(C)(C)[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420297107 395302043 /nfs/dbraw/zinc/30/20/43/395302043.db2.gz FLFMXGFZBUJOER-ULQDDVLXSA-N 2 1 290.451 2.428 20 0 CEADMP CC(C)(C)[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420297107 395302046 /nfs/dbraw/zinc/30/20/46/395302046.db2.gz FLFMXGFZBUJOER-ULQDDVLXSA-N 2 1 290.451 2.428 20 0 CEADMP CCCO[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420297167 395302347 /nfs/dbraw/zinc/30/23/47/395302347.db2.gz FRFVGTUAUXBGIB-CABCVRRESA-N 2 1 254.418 2.267 20 0 CEADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353628836 395303355 /nfs/dbraw/zinc/30/33/55/395303355.db2.gz CCYWUSBMFDXFQL-GBJTYRQASA-N 2 1 268.445 2.246 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2C2CC2)[C@H]2CCC[C@H]21 ZINC000353589446 395303519 /nfs/dbraw/zinc/30/35/19/395303519.db2.gz GLRGSPZSIPITFA-XWTMOSNGSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@H]2CCC[C@H]21 ZINC000353589446 395303522 /nfs/dbraw/zinc/30/35/22/395303522.db2.gz GLRGSPZSIPITFA-XWTMOSNGSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+]2C2CC2)[C@H]2CCC[C@H]21 ZINC000353589446 395303527 /nfs/dbraw/zinc/30/35/27/395303527.db2.gz GLRGSPZSIPITFA-XWTMOSNGSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)[C@H]2CCC[C@H]21 ZINC000353589446 395303529 /nfs/dbraw/zinc/30/35/29/395303529.db2.gz GLRGSPZSIPITFA-XWTMOSNGSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)[C@H]2CCC[C@H]21 ZINC000353589446 395303531 /nfs/dbraw/zinc/30/35/31/395303531.db2.gz GLRGSPZSIPITFA-XWTMOSNGSA-N 2 1 291.483 2.466 20 0 CEADMP CC(C)C[C@H]1COCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420298844 395303647 /nfs/dbraw/zinc/30/36/47/395303647.db2.gz IANILTCTNPQVLL-CABCVRRESA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)[C@H](c2ccccc2)CO1 ZINC000420308094 395313423 /nfs/dbraw/zinc/31/34/23/395313423.db2.gz RZJRCTHOXDRAGJ-INMHGKMJSA-N 2 1 274.408 2.448 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420312116 395316204 /nfs/dbraw/zinc/31/62/04/395316204.db2.gz HRIWBYCWKZFXKF-MRXNPFEDSA-N 3 1 281.488 2.430 20 0 CEADMP CN(CC[N@@H+](C)CC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000420317217 395319525 /nfs/dbraw/zinc/31/95/25/395319525.db2.gz MRSCNZXZJQFXJO-MRXNPFEDSA-N 2 1 275.440 2.444 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(C)s1 ZINC000420316485 395319930 /nfs/dbraw/zinc/31/99/30/395319930.db2.gz SUJOYHDQILUNHK-LBPRGKRZSA-N 2 1 296.436 2.404 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420316300 395320121 /nfs/dbraw/zinc/32/01/21/395320121.db2.gz NFHKYKAYLJELPS-HZPDHXFCSA-N 2 1 274.408 2.169 20 0 CEADMP CCC[N@@H+](CCCCC(=O)OCC)C1CC[NH2+]CC1 ZINC000420317259 395320509 /nfs/dbraw/zinc/32/05/09/395320509.db2.gz MSZADCRVOLYGPZ-UHFFFAOYSA-N 2 1 270.417 2.184 20 0 CEADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CC1(C[NH3+])CCCCC1 ZINC000184226080 395270731 /nfs/dbraw/zinc/27/07/31/395270731.db2.gz MZIBGCOLIIOMDA-OAHLLOKOSA-N 2 1 295.471 2.086 20 0 CEADMP C[C@H]([NH3+])CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000420366082 395353556 /nfs/dbraw/zinc/35/35/56/395353556.db2.gz FKXTYDJBFZLFLB-SZMVWBNQSA-N 2 1 287.451 2.320 20 0 CEADMP CCc1ccccc1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420375372 395359928 /nfs/dbraw/zinc/35/99/28/395359928.db2.gz IXUDWKHHMLNDES-KRWDZBQOSA-N 2 1 299.422 2.136 20 0 CEADMP CCOc1ccc(OCC[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1 ZINC000420374459 395360432 /nfs/dbraw/zinc/36/04/32/395360432.db2.gz SBQYJRFMTKBBQF-JJRVBVJISA-N 2 1 292.423 2.440 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000420379131 395363628 /nfs/dbraw/zinc/36/36/28/395363628.db2.gz XLMXYDUNCINBJN-WQGACYEGSA-N 2 1 293.386 2.130 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000435373566 395367093 /nfs/dbraw/zinc/36/70/93/395367093.db2.gz FCXBVXZWDVXYNY-NWDGAFQWSA-N 2 1 274.368 2.147 20 0 CEADMP Cc1[nH+]ccn1CCCN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000420396354 395369718 /nfs/dbraw/zinc/36/97/18/395369718.db2.gz DZKBOUUFODAANG-QGZVFWFLSA-N 2 1 284.407 2.228 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000192101882 395371799 /nfs/dbraw/zinc/37/17/99/395371799.db2.gz FKBXUNVJUJYNKY-UONOGXRCSA-N 2 1 291.439 2.126 20 0 CEADMP CCCCN(CC)C(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435628125 395379997 /nfs/dbraw/zinc/37/99/97/395379997.db2.gz PTVCUPYEEJVGEC-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCN(CC)C(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435628125 395380002 /nfs/dbraw/zinc/38/00/02/395380002.db2.gz PTVCUPYEEJVGEC-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP c1cc2ccc(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)cc2[nH]1 ZINC000529526933 395395871 /nfs/dbraw/zinc/39/58/71/395395871.db2.gz BHXOGUVJLPNMQX-MRXNPFEDSA-N 2 1 299.418 2.322 20 0 CEADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420326825 395329875 /nfs/dbraw/zinc/32/98/75/395329875.db2.gz XSIPSSQJITWUJG-IRXDYDNUSA-N 3 1 279.472 2.184 20 0 CEADMP CC(C)OCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329787 395331300 /nfs/dbraw/zinc/33/13/00/395331300.db2.gz OYFSRHJTMMVPKM-LSDHHAIUSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336120 395335059 /nfs/dbraw/zinc/33/50/59/395335059.db2.gz IMJHHDSNDSUQNA-JONQDZQNSA-N 2 1 295.471 2.001 20 0 CEADMP CCOC(=O)C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420352893 395341056 /nfs/dbraw/zinc/34/10/56/395341056.db2.gz AWVOIZRVHVMSQX-OAHLLOKOSA-N 2 1 290.407 2.051 20 0 CEADMP CCOC(=O)C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420352893 395341063 /nfs/dbraw/zinc/34/10/63/395341063.db2.gz AWVOIZRVHVMSQX-OAHLLOKOSA-N 2 1 290.407 2.051 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420359557 395346279 /nfs/dbraw/zinc/34/62/79/395346279.db2.gz FWQDURKLMSHHTG-INIZCTEOSA-N 2 1 282.428 2.185 20 0 CEADMP CCOc1ccccc1OCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420363844 395350280 /nfs/dbraw/zinc/35/02/80/395350280.db2.gz OHHGNJHVGDESCK-OAHLLOKOSA-N 2 1 280.412 2.427 20 0 CEADMP COc1cccc(OCC[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000420365394 395351378 /nfs/dbraw/zinc/35/13/78/395351378.db2.gz PYPAOTJZYWJWHI-CQSZACIVSA-N 2 1 266.385 2.037 20 0 CEADMP CCC[C@]1(COC)CCC[N@H+]1CCn1ccnc1 ZINC000194945002 395455008 /nfs/dbraw/zinc/45/50/08/395455008.db2.gz DGONNXFHFJJXLN-CQSZACIVSA-N 2 1 251.374 2.164 20 0 CEADMP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCCC1 ZINC000565533832 395475111 /nfs/dbraw/zinc/47/51/11/395475111.db2.gz KCCPXLUSAOSTMS-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+](CC)CCCCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444037344 395413031 /nfs/dbraw/zinc/41/30/31/395413031.db2.gz MUYNFDZWZIIIAY-XHSDSOJGSA-N 2 1 297.487 2.486 20 0 CEADMP C=Cn1cc(CN(C)CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000194004061 395421643 /nfs/dbraw/zinc/42/16/43/395421643.db2.gz YPTVTBFUWSBHGK-OAHLLOKOSA-N 2 1 262.401 2.290 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000444593664 395438355 /nfs/dbraw/zinc/43/83/55/395438355.db2.gz RDCVSPHGOZFNMF-UHFFFAOYSA-N 2 1 299.422 2.041 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000448023585 395507659 /nfs/dbraw/zinc/50/76/59/395507659.db2.gz UGZUQPQWQGYICM-WCVJEAGWSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448023585 395507662 /nfs/dbraw/zinc/50/76/62/395507662.db2.gz UGZUQPQWQGYICM-WCVJEAGWSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448023585 395507663 /nfs/dbraw/zinc/50/76/63/395507663.db2.gz UGZUQPQWQGYICM-WCVJEAGWSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000448023585 395507666 /nfs/dbraw/zinc/50/76/66/395507666.db2.gz UGZUQPQWQGYICM-WCVJEAGWSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000448023585 395507668 /nfs/dbraw/zinc/50/76/68/395507668.db2.gz UGZUQPQWQGYICM-WCVJEAGWSA-N 2 1 281.488 2.425 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2[NH+](C)CCCC2(C)C)[C@@H](C)C1 ZINC000448022652 395508207 /nfs/dbraw/zinc/50/82/07/395508207.db2.gz PAVWFAJHCLEQRQ-JYJNAYRXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2[N@H+](C)CCCC2(C)C)[C@@H](C)C1 ZINC000448022652 395508210 /nfs/dbraw/zinc/50/82/10/395508210.db2.gz PAVWFAJHCLEQRQ-JYJNAYRXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2[N@@H+](C)CCCC2(C)C)[C@@H](C)C1 ZINC000448022652 395508212 /nfs/dbraw/zinc/50/82/12/395508212.db2.gz PAVWFAJHCLEQRQ-JYJNAYRXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2N(C)CCCC2(C)C)[C@@H](C)C1 ZINC000448022652 395508214 /nfs/dbraw/zinc/50/82/14/395508214.db2.gz PAVWFAJHCLEQRQ-JYJNAYRXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2N(C)CCCC2(C)C)[C@@H](C)C1 ZINC000448022652 395508217 /nfs/dbraw/zinc/50/82/17/395508217.db2.gz PAVWFAJHCLEQRQ-JYJNAYRXSA-N 2 1 281.488 2.427 20 0 CEADMP CO[C@H]1C[C@@H]([N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000566529669 395533994 /nfs/dbraw/zinc/53/39/94/395533994.db2.gz UYNBNLLTQUEMDE-IYBDPMFKSA-N 2 1 286.379 2.185 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000565870946 395488199 /nfs/dbraw/zinc/48/81/99/395488199.db2.gz RHHDNMKWVQPSHB-ARFHVFGLSA-N 2 1 289.423 2.367 20 0 CEADMP c1ccc(N2CCC([NH2+]CCC[NH+]3CCC3)CC2)cc1 ZINC000565904375 395490680 /nfs/dbraw/zinc/49/06/80/395490680.db2.gz MYIXKBRKMMPYCL-UHFFFAOYSA-N 2 1 273.424 2.341 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000565950821 395492282 /nfs/dbraw/zinc/49/22/82/395492282.db2.gz LADUIJVYAMHBIV-VHSXEESVSA-N 2 1 251.399 2.190 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc(C2CC2)s1 ZINC000565950821 395492286 /nfs/dbraw/zinc/49/22/86/395492286.db2.gz LADUIJVYAMHBIV-VHSXEESVSA-N 2 1 251.399 2.190 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451220829 395595695 /nfs/dbraw/zinc/59/56/95/395595695.db2.gz WQCHGSDGYOHSOW-HUUCEWRRSA-N 2 1 295.471 2.084 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451220829 395595698 /nfs/dbraw/zinc/59/56/98/395595698.db2.gz WQCHGSDGYOHSOW-HUUCEWRRSA-N 2 1 295.471 2.084 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451220829 395595701 /nfs/dbraw/zinc/59/57/01/395595701.db2.gz WQCHGSDGYOHSOW-HUUCEWRRSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000573126492 395601479 /nfs/dbraw/zinc/60/14/79/395601479.db2.gz SWTVTLXSAZQQLM-QWQRMKEZSA-N 3 1 287.451 2.138 20 0 CEADMP C[C@@H]1C[C@H](C)N(Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000573126492 395601480 /nfs/dbraw/zinc/60/14/80/395601480.db2.gz SWTVTLXSAZQQLM-QWQRMKEZSA-N 2 1 287.451 2.138 20 0 CEADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CCCC[NH+]1CC ZINC000568430595 395560127 /nfs/dbraw/zinc/56/01/27/395560127.db2.gz SSGBHQGRLQFWAF-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)Oc1ccccc1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000569474812 395578826 /nfs/dbraw/zinc/57/88/26/395578826.db2.gz RLFJXHFDJFMRGG-INIZCTEOSA-N 2 1 292.423 2.019 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000573806703 395619266 /nfs/dbraw/zinc/61/92/66/395619266.db2.gz JCZQRLOMYKKJKV-ZDUSSCGKSA-N 2 1 272.396 2.384 20 0 CEADMP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000573806703 395619267 /nfs/dbraw/zinc/61/92/67/395619267.db2.gz JCZQRLOMYKKJKV-ZDUSSCGKSA-N 2 1 272.396 2.384 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000573806703 395619268 /nfs/dbraw/zinc/61/92/68/395619268.db2.gz JCZQRLOMYKKJKV-ZDUSSCGKSA-N 2 1 272.396 2.384 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000493923252 395678048 /nfs/dbraw/zinc/67/80/48/395678048.db2.gz AEUSLSPEWQISEK-HOCLYGCPSA-N 2 1 274.408 2.312 20 0 CEADMP COCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344397 395707207 /nfs/dbraw/zinc/70/72/07/395707207.db2.gz PTSIMOHZZKFFTM-UAGQMJEPSA-N 2 1 276.424 2.346 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2cn3cccc(F)c3n2)CC1 ZINC000647509953 395724212 /nfs/dbraw/zinc/72/42/12/395724212.db2.gz JTRMWJMSHSJYRB-UHFFFAOYSA-N 2 1 290.386 2.295 20 0 CEADMP FC(F)(F)CO[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000647514056 395724624 /nfs/dbraw/zinc/72/46/24/395724624.db2.gz FBVMWJAUYUAKOL-NWDGAFQWSA-N 2 1 280.334 2.029 20 0 CEADMP C[C@@H](C[N@@H+](C)CCN1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000647492702 395721083 /nfs/dbraw/zinc/72/10/83/395721083.db2.gz UMOAOYNYVXCUAS-AWEZNQCLSA-N 2 1 295.858 2.281 20 0 CEADMP FC(F)(F)CO[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000647514056 395724625 /nfs/dbraw/zinc/72/46/25/395724625.db2.gz FBVMWJAUYUAKOL-NWDGAFQWSA-N 2 1 280.334 2.029 20 0 CEADMP CC[C@H]1C[N@H+](Cc2c(C)cc(OC)nc2C)CC[C@H]1[NH3+] ZINC000647498796 395722128 /nfs/dbraw/zinc/72/21/28/395722128.db2.gz RDCAHXYQUYISLQ-DZGCQCFKSA-N 2 1 277.412 2.266 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2c(C)cc(OC)nc2C)CC[C@H]1[NH3+] ZINC000647498796 395722129 /nfs/dbraw/zinc/72/21/29/395722129.db2.gz RDCAHXYQUYISLQ-DZGCQCFKSA-N 2 1 277.412 2.266 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)CC[C@@H]1[NH3+] ZINC000647498738 395722150 /nfs/dbraw/zinc/72/21/50/395722150.db2.gz PAXBMYGGOBCJBL-RDJZCZTQSA-N 2 1 284.407 2.432 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccnc2)CC[C@@H]1[NH3+] ZINC000647498398 395722501 /nfs/dbraw/zinc/72/25/01/395722501.db2.gz GLOQGGMPQMNXPK-WFASDCNBSA-N 2 1 285.395 2.031 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)o1 ZINC000647508555 395723493 /nfs/dbraw/zinc/72/34/93/395723493.db2.gz RJOGJFZPNZRMBU-WCQYABFASA-N 2 1 288.395 2.158 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(C)([NH3+])CC2)o1 ZINC000647530784 395727095 /nfs/dbraw/zinc/72/70/95/395727095.db2.gz FMYOYMXTDWOUHF-UHFFFAOYSA-N 2 1 274.368 2.291 20 0 CEADMP COc1cccc(OCCC[NH2+][C@H]2C[NH2+]C[C@H](C)C2)c1 ZINC000647548625 395733067 /nfs/dbraw/zinc/73/30/67/395733067.db2.gz LDRHSPLUYDBVQD-ZIAGYGMSSA-N 2 1 278.396 2.052 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647786400 395754214 /nfs/dbraw/zinc/75/42/14/395754214.db2.gz OIXOGQOJPNBTLV-WCXIOVBPSA-N 3 1 279.472 2.085 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798171 395756896 /nfs/dbraw/zinc/75/68/96/395756896.db2.gz MTNRTAAGVGQQPP-XUWVNRHRSA-N 3 1 267.461 2.085 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798171 395756898 /nfs/dbraw/zinc/75/68/98/395756898.db2.gz MTNRTAAGVGQQPP-XUWVNRHRSA-N 3 1 267.461 2.085 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)CC[C@@H]1[NH3+] ZINC000647936410 395779488 /nfs/dbraw/zinc/77/94/88/395779488.db2.gz DCXMIMPKDKDYGJ-HOCLYGCPSA-N 2 1 275.396 2.204 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)CC[C@H]1[NH3+] ZINC000647936409 395779563 /nfs/dbraw/zinc/77/95/63/395779563.db2.gz DCXMIMPKDKDYGJ-GOEBONIOSA-N 2 1 275.396 2.204 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCCCc1ccccc1 ZINC000647958898 395785582 /nfs/dbraw/zinc/78/55/82/395785582.db2.gz KRTWCRSFVDAYJN-QGZVFWFLSA-N 2 1 278.440 2.254 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCCc1ccccc1 ZINC000647958898 395785586 /nfs/dbraw/zinc/78/55/86/395785586.db2.gz KRTWCRSFVDAYJN-QGZVFWFLSA-N 2 1 278.440 2.254 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCCCc1ccccc1 ZINC000647958898 395785587 /nfs/dbraw/zinc/78/55/87/395785587.db2.gz KRTWCRSFVDAYJN-QGZVFWFLSA-N 2 1 278.440 2.254 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCCc1ccccc1 ZINC000647958898 395785590 /nfs/dbraw/zinc/78/55/90/395785590.db2.gz KRTWCRSFVDAYJN-QGZVFWFLSA-N 2 1 278.440 2.254 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](CC1CC1)C1CCCCC1 ZINC000647962250 395787945 /nfs/dbraw/zinc/78/79/45/395787945.db2.gz VIJDXBICRSYBDA-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CC1CC1)C1CCCCC1 ZINC000647962250 395787947 /nfs/dbraw/zinc/78/79/47/395787947.db2.gz VIJDXBICRSYBDA-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC1CC1)C1CCCCC1 ZINC000647962250 395787949 /nfs/dbraw/zinc/78/79/49/395787949.db2.gz VIJDXBICRSYBDA-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC1CC1)C1CCCCC1 ZINC000647962250 395787950 /nfs/dbraw/zinc/78/79/50/395787950.db2.gz VIJDXBICRSYBDA-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP C[N@@H+](CCC[NH3+])CCOc1ccccc1C(F)(F)F ZINC000647848100 395763423 /nfs/dbraw/zinc/76/34/23/395763423.db2.gz DFSJRIVBANUXRW-UHFFFAOYSA-N 2 1 276.302 2.365 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000647965425 395789070 /nfs/dbraw/zinc/78/90/70/395789070.db2.gz WLBBMKZLRSDWFX-UGUYLWEFSA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000647965425 395789072 /nfs/dbraw/zinc/78/90/72/395789072.db2.gz WLBBMKZLRSDWFX-UGUYLWEFSA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000647965425 395789075 /nfs/dbraw/zinc/78/90/75/395789075.db2.gz WLBBMKZLRSDWFX-UGUYLWEFSA-N 2 1 268.445 2.341 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000647870012 395765965 /nfs/dbraw/zinc/76/59/65/395765965.db2.gz AWHVKAUWFDEDBZ-GFCCVEGCSA-N 2 1 258.369 2.341 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CCN(c2cc(CO)cc(C)[nH+]2)C1 ZINC000647870410 395766308 /nfs/dbraw/zinc/76/63/08/395766308.db2.gz RNBROCFFSUEJED-AWEZNQCLSA-N 2 1 277.412 2.050 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(CO)cc(C)[nH+]2)C1 ZINC000647870410 395766310 /nfs/dbraw/zinc/76/63/10/395766310.db2.gz RNBROCFFSUEJED-AWEZNQCLSA-N 2 1 277.412 2.050 20 0 CEADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647872558 395766414 /nfs/dbraw/zinc/76/64/14/395766414.db2.gz AKMAHECDJWYTQT-CZUORRHYSA-N 2 1 260.381 2.442 20 0 CEADMP Cc1nc([C@@H]2CCCC[N@@H+]2CCC2CC[NH2+]CC2)no1 ZINC000647882081 395768105 /nfs/dbraw/zinc/76/81/05/395768105.db2.gz IJNUSWAMSBLEDV-AWEZNQCLSA-N 2 1 278.400 2.295 20 0 CEADMP Cc1nc([C@@H]2CCCC[N@H+]2CCC2CC[NH2+]CC2)no1 ZINC000647882081 395768106 /nfs/dbraw/zinc/76/81/06/395768106.db2.gz IJNUSWAMSBLEDV-AWEZNQCLSA-N 2 1 278.400 2.295 20 0 CEADMP OCC[N@@H+](CCCC1CC[NH2+]CC1)CCc1ccccc1 ZINC000647885756 395769276 /nfs/dbraw/zinc/76/92/76/395769276.db2.gz MRKJBYQKLYYTPQ-UHFFFAOYSA-N 2 1 290.451 2.303 20 0 CEADMP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@@H](C(F)(F)F)O1 ZINC000647889391 395769589 /nfs/dbraw/zinc/76/95/89/395769589.db2.gz MAAWQCVPABIUND-PWSUYJOCSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H](C(F)(F)F)O1 ZINC000647889391 395769592 /nfs/dbraw/zinc/76/95/92/395769592.db2.gz MAAWQCVPABIUND-PWSUYJOCSA-N 2 1 280.334 2.028 20 0 CEADMP c1ccc(CCCO[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647890812 395769967 /nfs/dbraw/zinc/76/99/67/395769967.db2.gz XXSLMVFOAMGIJQ-ZWKOTPCHSA-N 2 1 288.435 2.320 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOc2cccc(OC)c2)CC[C@@H]1[NH3+] ZINC000647935026 395778487 /nfs/dbraw/zinc/77/84/87/395778487.db2.gz XGYZRNLQCGXGOH-CJNGLKHVSA-N 2 1 278.396 2.133 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H]1CC=CCC1)CCO2 ZINC000648071503 395825964 /nfs/dbraw/zinc/82/59/64/395825964.db2.gz FWQCOPGWDHRZAP-OAHLLOKOSA-N 2 1 264.413 2.139 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978019 395794101 /nfs/dbraw/zinc/79/41/01/395794101.db2.gz LATRUEMNOCGVTO-QZTJIDSGSA-N 3 1 293.499 2.478 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC000647978100 395794299 /nfs/dbraw/zinc/79/42/99/395794299.db2.gz MSGUMKXUZORKPE-GVDBMIGSSA-N 3 1 279.472 2.088 20 0 CEADMP CC(C)[N@@H+](CCc1nccs1)C[C@H]1CC[NH2+]C1 ZINC000647989656 395796721 /nfs/dbraw/zinc/79/67/21/395796721.db2.gz SLZPBZYQQYHFGH-LBPRGKRZSA-N 2 1 253.415 2.006 20 0 CEADMP Clc1cnc2oc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000648385225 395899102 /nfs/dbraw/zinc/89/91/02/395899102.db2.gz NZHCOXZAJBIQRK-QWRGUYRKSA-N 2 1 277.755 2.132 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@H](CC)C2)C1 ZINC000648433271 395908069 /nfs/dbraw/zinc/90/80/69/395908069.db2.gz YAEDWNDSBSPMBU-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000648583345 395932583 /nfs/dbraw/zinc/93/25/83/395932583.db2.gz LPBJMTKUDQRITP-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000648583345 395932585 /nfs/dbraw/zinc/93/25/85/395932585.db2.gz LPBJMTKUDQRITP-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000648758115 395976008 /nfs/dbraw/zinc/97/60/08/395976008.db2.gz DMDCRDIAKDIUEX-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648758115 395976009 /nfs/dbraw/zinc/97/60/09/395976009.db2.gz DMDCRDIAKDIUEX-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648758115 395976012 /nfs/dbraw/zinc/97/60/12/395976012.db2.gz DMDCRDIAKDIUEX-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CCC(C)(C)[NH3+])c1 ZINC000649306439 396117471 /nfs/dbraw/zinc/11/74/71/396117471.db2.gz QXUXEWBDXYRNKQ-UHFFFAOYSA-N 2 1 291.439 2.272 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000649310557 396118337 /nfs/dbraw/zinc/11/83/37/396118337.db2.gz SKQNATDNPWPVEA-CQSZACIVSA-N 2 1 283.460 2.275 20 0 CEADMP CC[C@@H]1C[N@H+](CCCn2cc[nH+]c2C)[C@H](CC)CO1 ZINC000649719671 396239962 /nfs/dbraw/zinc/23/99/62/396239962.db2.gz VHXCVJXCHNKBDI-HUUCEWRRSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)[C@H](CC)CO1 ZINC000649719671 396239965 /nfs/dbraw/zinc/23/99/65/396239965.db2.gz VHXCVJXCHNKBDI-HUUCEWRRSA-N 2 1 265.401 2.471 20 0 CEADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCCOC1 ZINC000649756697 396250818 /nfs/dbraw/zinc/25/08/18/396250818.db2.gz YQJXGGBECDVULD-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCCOC1 ZINC000649756697 396250821 /nfs/dbraw/zinc/25/08/21/396250821.db2.gz YQJXGGBECDVULD-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](CCO)c1ccccc1F ZINC000646069511 396282834 /nfs/dbraw/zinc/28/28/34/396282834.db2.gz FXYAYCBCMPPWOL-OAHLLOKOSA-N 2 1 277.343 2.044 20 0 CEADMP CCC[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000152914812 289100969 /nfs/dbraw/zinc/10/09/69/289100969.db2.gz JRIDWTSQUFJALL-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CO1 ZINC000647171264 396427664 /nfs/dbraw/zinc/42/76/64/396427664.db2.gz DMRGPVNGBAHUDT-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H](C)C[C@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000647243332 396448344 /nfs/dbraw/zinc/44/83/44/396448344.db2.gz IMDHHXRMENIADX-TZMCWYRMSA-N 2 1 265.401 2.034 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCO[C@@H]3CCC[C@@H]31)C[NH2+]CC2 ZINC000211318789 400303479 /nfs/dbraw/zinc/30/34/79/400303479.db2.gz PDFUATUPKBEPEP-DLBZAZTESA-N 2 1 272.392 2.086 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000309843448 400341632 /nfs/dbraw/zinc/34/16/32/400341632.db2.gz XDWBVGPHDUNBOD-ZDUSSCGKSA-N 2 1 287.448 2.220 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000309843448 400341641 /nfs/dbraw/zinc/34/16/41/400341641.db2.gz XDWBVGPHDUNBOD-ZDUSSCGKSA-N 2 1 287.448 2.220 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2([C@@H](C)CCO)CCC2)[C@@H](C)C1 ZINC000344307635 400366974 /nfs/dbraw/zinc/36/69/74/400366974.db2.gz XJUODAFEDWURLJ-JYJNAYRXSA-N 2 1 282.472 2.495 20 0 CEADMP COCC1(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000386544520 400526618 /nfs/dbraw/zinc/52/66/18/400526618.db2.gz RWCROLKBUADAQI-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP COCC1(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CCC1 ZINC000386544520 400526623 /nfs/dbraw/zinc/52/66/23/400526623.db2.gz RWCROLKBUADAQI-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1ncccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000388919419 400535054 /nfs/dbraw/zinc/53/50/54/400535054.db2.gz WINHMPCSIUWHNN-JKSUJKDBSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ncccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000388919419 400535058 /nfs/dbraw/zinc/53/50/58/400535058.db2.gz WINHMPCSIUWHNN-JKSUJKDBSA-N 2 1 259.397 2.354 20 0 CEADMP C[N@@H+](CCN1CC[NH2+]CC1)CC1CCC(C)(C)CC1 ZINC000394075910 400547006 /nfs/dbraw/zinc/54/70/06/400547006.db2.gz VGWKXBAVSPFATH-UHFFFAOYSA-N 2 1 267.461 2.040 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC2CCCCCC2)CCO1 ZINC000394546709 400550068 /nfs/dbraw/zinc/55/00/68/400550068.db2.gz XWGRGSKOTGXOJD-HIFRSBDPSA-N 2 1 254.418 2.395 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC2CCCCCC2)CCO1 ZINC000394546709 400550070 /nfs/dbraw/zinc/55/00/70/400550070.db2.gz XWGRGSKOTGXOJD-HIFRSBDPSA-N 2 1 254.418 2.395 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000650705505 400998627 /nfs/dbraw/zinc/99/86/27/400998627.db2.gz JXOSIOHKNYSULX-GZBFAFLISA-N 2 1 295.452 2.170 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)[C@@H]1CC[NH3+] ZINC000650710910 401001885 /nfs/dbraw/zinc/00/18/85/401001885.db2.gz CKCXLEVLYPJHCN-WMLDXEAASA-N 2 1 299.422 2.217 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])nc1 ZINC000650711424 401002087 /nfs/dbraw/zinc/00/20/87/401002087.db2.gz TZDASSOAMLALAI-CZUORRHYSA-N 2 1 277.412 2.430 20 0 CEADMP CCO[C@@H]1C[N@H+](Cc2ccccc2OC(C)C)C[C@H]1C[NH3+] ZINC000650715079 401004553 /nfs/dbraw/zinc/00/45/53/401004553.db2.gz OLKZOQIVRIISHS-NVXWUHKLSA-N 2 1 292.423 2.269 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2OC(C)C)C[C@H]1C[NH3+] ZINC000650715079 401004557 /nfs/dbraw/zinc/00/45/57/401004557.db2.gz OLKZOQIVRIISHS-NVXWUHKLSA-N 2 1 292.423 2.269 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000650720670 401009551 /nfs/dbraw/zinc/00/95/51/401009551.db2.gz XYWZZFLOVLALLV-UHFFFAOYSA-N 2 1 287.411 2.042 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)[C@H]2CCC[C@H]21 ZINC000650755523 401033708 /nfs/dbraw/zinc/03/37/08/401033708.db2.gz GXMPACUZLFRMAP-HYVNUMGLSA-N 3 1 291.414 2.247 20 0 CEADMP C[N@@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2F)[C@H]2CCC[C@H]21 ZINC000650755523 401033715 /nfs/dbraw/zinc/03/37/15/401033715.db2.gz GXMPACUZLFRMAP-HYVNUMGLSA-N 2 1 291.414 2.247 20 0 CEADMP C[N@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2F)[C@H]2CCC[C@H]21 ZINC000650755523 401033725 /nfs/dbraw/zinc/03/37/25/401033725.db2.gz GXMPACUZLFRMAP-HYVNUMGLSA-N 2 1 291.414 2.247 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000651491445 401349289 /nfs/dbraw/zinc/34/92/89/401349289.db2.gz YKQRBSCKQBUHRY-UKRRQHHQSA-N 2 1 254.418 2.408 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651681588 401370802 /nfs/dbraw/zinc/37/08/02/401370802.db2.gz UYLWMCZYAGXSRY-GFCCVEGCSA-N 2 1 259.353 2.259 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651681588 401370806 /nfs/dbraw/zinc/37/08/06/401370806.db2.gz UYLWMCZYAGXSRY-GFCCVEGCSA-N 2 1 259.353 2.259 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000360078242 155206952 /nfs/dbraw/zinc/20/69/52/155206952.db2.gz GCFQTVDPDTYJBK-CRAIPNDOSA-N 2 1 298.434 2.361 20 0 CEADMP C[C@H]([NH2+][C@@H](CO)CCF)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000652017759 401434342 /nfs/dbraw/zinc/43/43/42/401434342.db2.gz BXJKBAYJVFPVJR-BHYGNILZSA-N 2 1 294.414 2.207 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CCF)CC[N@@H+]1Cc1ccccc1 ZINC000652019849 401434701 /nfs/dbraw/zinc/43/47/01/401434701.db2.gz DJAIIQABGGYODA-DJIMGWMZSA-N 2 1 294.414 2.350 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CCF)CC[N@H+]1Cc1ccccc1 ZINC000652019849 401434702 /nfs/dbraw/zinc/43/47/02/401434702.db2.gz DJAIIQABGGYODA-DJIMGWMZSA-N 2 1 294.414 2.350 20 0 CEADMP c1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nn2c1CCC2 ZINC000652341039 401490589 /nfs/dbraw/zinc/49/05/89/401490589.db2.gz YEEGNFWKMIZEIJ-CABCVRRESA-N 2 1 288.439 2.041 20 0 CEADMP CC(C)OCCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348951 401491302 /nfs/dbraw/zinc/49/13/02/401491302.db2.gz WTHIFLNJZZWXFJ-HRCADAONSA-N 2 1 284.444 2.020 20 0 CEADMP Cc1cnc([C@H](C)[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000652350231 401491661 /nfs/dbraw/zinc/49/16/61/401491661.db2.gz MWVYUAGKFDQXSM-ZQDZILKHSA-N 2 1 293.411 2.262 20 0 CEADMP CCO[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1C[NH3+] ZINC000652356745 401493554 /nfs/dbraw/zinc/49/35/54/401493554.db2.gz DTKDZTXKTHMJLW-UHOFOFEASA-N 2 1 278.371 2.109 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCCCCF)C1 ZINC000652363517 401494805 /nfs/dbraw/zinc/49/48/05/401494805.db2.gz GXJSLFRIPWDMBC-QLFBSQMISA-N 2 1 272.408 2.487 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCCCCF)C1 ZINC000652363518 401495133 /nfs/dbraw/zinc/49/51/33/401495133.db2.gz GXJSLFRIPWDMBC-RBSFLKMASA-N 2 1 272.408 2.487 20 0 CEADMP COCCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000360250888 155251278 /nfs/dbraw/zinc/25/12/78/155251278.db2.gz QLXHJPQHUQSYKE-GOEBONIOSA-N 2 1 292.423 2.142 20 0 CEADMP COCCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000360250888 155251280 /nfs/dbraw/zinc/25/12/80/155251280.db2.gz QLXHJPQHUQSYKE-GOEBONIOSA-N 2 1 292.423 2.142 20 0 CEADMP C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)OC1CCCCCC1 ZINC000360567106 155327681 /nfs/dbraw/zinc/32/76/81/155327681.db2.gz CTJXQHDAHFPNGJ-INIZCTEOSA-N 2 1 266.429 2.411 20 0 CEADMP CCOC(=O)C[C@](C)([NH2+]CCn1cc[nH+]c1C)C(C)C ZINC000360670448 155349371 /nfs/dbraw/zinc/34/93/71/155349371.db2.gz WRCHMLWKJOMVNR-HNNXBMFYSA-N 2 1 281.400 2.149 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](CCOc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000193634042 153235820 /nfs/dbraw/zinc/23/58/20/153235820.db2.gz SPXZQYUPGVTSIL-BETUJISGSA-N 2 1 280.799 2.212 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CCOc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000193634042 153235824 /nfs/dbraw/zinc/23/58/24/153235824.db2.gz SPXZQYUPGVTSIL-BETUJISGSA-N 2 1 280.799 2.212 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000193634042 153235828 /nfs/dbraw/zinc/23/58/28/153235828.db2.gz SPXZQYUPGVTSIL-BETUJISGSA-N 2 1 280.799 2.212 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000193634042 153235831 /nfs/dbraw/zinc/23/58/31/153235831.db2.gz SPXZQYUPGVTSIL-BETUJISGSA-N 2 1 280.799 2.212 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)F)cc3)C[C@@H]2C1 ZINC000193633279 153236687 /nfs/dbraw/zinc/23/66/87/153236687.db2.gz NJAKMJAAGNDKRK-BETUJISGSA-N 2 1 282.334 2.281 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)F)cc3)C[C@@H]2C1 ZINC000193633279 153236691 /nfs/dbraw/zinc/23/66/91/153236691.db2.gz NJAKMJAAGNDKRK-BETUJISGSA-N 2 1 282.334 2.281 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)C[C@@H]2C1 ZINC000193633279 153236697 /nfs/dbraw/zinc/23/66/97/153236697.db2.gz NJAKMJAAGNDKRK-BETUJISGSA-N 2 1 282.334 2.281 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC(F)F)cc3)C[C@@H]2C1 ZINC000193633279 153236703 /nfs/dbraw/zinc/23/67/03/153236703.db2.gz NJAKMJAAGNDKRK-BETUJISGSA-N 2 1 282.334 2.281 20 0 CEADMP CCc1cccc(OCC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193637667 153237544 /nfs/dbraw/zinc/23/75/44/153237544.db2.gz PMWJMFKARPJPBE-IYBDPMFKSA-N 2 1 274.408 2.121 20 0 CEADMP CCc1cccc(OCC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193637667 153237549 /nfs/dbraw/zinc/23/75/49/153237549.db2.gz PMWJMFKARPJPBE-IYBDPMFKSA-N 2 1 274.408 2.121 20 0 CEADMP CCc1cccc(OCC[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193637667 153237553 /nfs/dbraw/zinc/23/75/53/153237553.db2.gz PMWJMFKARPJPBE-IYBDPMFKSA-N 2 1 274.408 2.121 20 0 CEADMP CCc1cccc(OCC[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193637667 153237558 /nfs/dbraw/zinc/23/75/58/153237558.db2.gz PMWJMFKARPJPBE-IYBDPMFKSA-N 2 1 274.408 2.121 20 0 CEADMP COc1c(C)cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000194536414 153258678 /nfs/dbraw/zinc/25/86/78/153258678.db2.gz PCJKDVMGIFQZFG-IYBDPMFKSA-N 2 1 274.408 2.305 20 0 CEADMP COc1c(C)cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000194536414 153258682 /nfs/dbraw/zinc/25/86/82/153258682.db2.gz PCJKDVMGIFQZFG-IYBDPMFKSA-N 2 1 274.408 2.305 20 0 CEADMP COc1c(C)cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1C ZINC000194536414 153258687 /nfs/dbraw/zinc/25/86/87/153258687.db2.gz PCJKDVMGIFQZFG-IYBDPMFKSA-N 2 1 274.408 2.305 20 0 CEADMP COc1c(C)cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1C ZINC000194536414 153258692 /nfs/dbraw/zinc/25/86/92/153258692.db2.gz PCJKDVMGIFQZFG-IYBDPMFKSA-N 2 1 274.408 2.305 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc2ncccc2c1 ZINC000216053836 153290808 /nfs/dbraw/zinc/29/08/08/153290808.db2.gz LWOGHNNPBCSDRX-OCCSQVGLSA-N 2 1 255.365 2.404 20 0 CEADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]2CCO[C@H]21 ZINC000227322174 153343085 /nfs/dbraw/zinc/34/30/85/153343085.db2.gz NYHLEMWAMJSIFK-UXXRCYHCSA-N 2 1 264.413 2.016 20 0 CEADMP C[C@@H](O)C[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000228068809 153354310 /nfs/dbraw/zinc/35/43/10/153354310.db2.gz AXYWYOCIWCQCIN-JKSUJKDBSA-N 2 1 290.451 2.443 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230001014 153381104 /nfs/dbraw/zinc/38/11/04/153381104.db2.gz YRHGYADVFICVBZ-UHFFFAOYSA-N 2 1 286.423 2.388 20 0 CEADMP Cc1nn(C)c(C)c1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230001014 153381110 /nfs/dbraw/zinc/38/11/10/153381110.db2.gz YRHGYADVFICVBZ-UHFFFAOYSA-N 2 1 286.423 2.388 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000237718015 153472281 /nfs/dbraw/zinc/47/22/81/153472281.db2.gz BUCPKQVTUJCSRI-AWEZNQCLSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnc(C)nc2C)C1 ZINC000268834224 154145674 /nfs/dbraw/zinc/14/56/74/154145674.db2.gz LLIMTFIDLUULCM-IUODEOHRSA-N 2 1 276.428 2.476 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnc(C)nc2C)C1 ZINC000268834224 154145676 /nfs/dbraw/zinc/14/56/76/154145676.db2.gz LLIMTFIDLUULCM-IUODEOHRSA-N 2 1 276.428 2.476 20 0 CEADMP COCC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346817954 154299897 /nfs/dbraw/zinc/29/98/97/154299897.db2.gz BSFBFROCKFIADQ-MRXNPFEDSA-N 2 1 262.397 2.135 20 0 CEADMP COc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000346816385 154301496 /nfs/dbraw/zinc/30/14/96/154301496.db2.gz ARRHMCMJCPJALT-GDBMZVCRSA-N 2 1 274.408 2.484 20 0 CEADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357863643 154392003 /nfs/dbraw/zinc/39/20/03/154392003.db2.gz ZOCIGVVQHYSUAD-GOEBONIOSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357863643 154392009 /nfs/dbraw/zinc/39/20/09/154392009.db2.gz ZOCIGVVQHYSUAD-GOEBONIOSA-N 2 1 279.472 2.181 20 0 CEADMP CC1CC[NH+](CCCN[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000359642385 155090476 /nfs/dbraw/zinc/09/04/76/155090476.db2.gz ZBPJZLPCHKLACW-HZPDHXFCSA-N 2 1 267.461 2.038 20 0 CEADMP COC1(C[NH2+]CC2([NH+]3CCCC3)CCOCC2)CCCC1 ZINC000359740943 155124159 /nfs/dbraw/zinc/12/41/59/155124159.db2.gz DUWIRXMWQQPJTE-UHFFFAOYSA-N 2 1 296.455 2.180 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccn3)C2)CC[N@@H+]1C ZINC000367396250 156179849 /nfs/dbraw/zinc/17/98/49/156179849.db2.gz HZICPPVSAFPXSG-BZUAXINKSA-N 2 1 288.439 2.123 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccn3)C2)CC[N@H+]1C ZINC000367396250 156179852 /nfs/dbraw/zinc/17/98/52/156179852.db2.gz HZICPPVSAFPXSG-BZUAXINKSA-N 2 1 288.439 2.123 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)[C@H]2CCC[C@@H]21 ZINC000367579573 156209037 /nfs/dbraw/zinc/20/90/37/156209037.db2.gz HDTZVIUACFWVTO-BIVLZKPYSA-N 2 1 280.456 2.248 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)[C@H]2CCC[C@H]21 ZINC000367579581 156210842 /nfs/dbraw/zinc/21/08/42/156210842.db2.gz HDTZVIUACFWVTO-JZAWBGDQSA-N 2 1 280.456 2.248 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccnc2)[C@H]2CCC[C@H]21 ZINC000367598246 156213176 /nfs/dbraw/zinc/21/31/76/156213176.db2.gz DFSQIMUPFHFTRO-OWCLPIDISA-N 2 1 259.397 2.087 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1O ZINC000367601380 156215648 /nfs/dbraw/zinc/21/56/48/156215648.db2.gz NVXOZYARAHEHDP-KFWWJZLASA-N 2 1 290.407 2.363 20 0 CEADMP CCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367625813 156217730 /nfs/dbraw/zinc/21/77/30/156217730.db2.gz ZAYBXEDWHMWXQJ-OAGGEKHMSA-N 2 1 289.423 2.443 20 0 CEADMP CCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367625813 156217732 /nfs/dbraw/zinc/21/77/32/156217732.db2.gz ZAYBXEDWHMWXQJ-OAGGEKHMSA-N 2 1 289.423 2.443 20 0 CEADMP C[N@@H+](CCOC1CCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000367869458 156249056 /nfs/dbraw/zinc/24/90/56/156249056.db2.gz XBXKBRXNOVQVDO-UHFFFAOYSA-N 2 1 296.455 2.131 20 0 CEADMP C(CO[C@H]1CCCCO1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000368109286 156288803 /nfs/dbraw/zinc/28/88/03/156288803.db2.gz XEPWNLWKZQHQNM-KRWDZBQOSA-N 2 1 296.455 2.480 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1(C)C ZINC000530216502 298052428 /nfs/dbraw/zinc/05/24/28/298052428.db2.gz PUVWRSJULBDLBR-BFHYXJOUSA-N 2 1 266.429 2.453 20 0 CEADMP CC(C)OC1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000375088152 157049324 /nfs/dbraw/zinc/04/93/24/157049324.db2.gz PZKLLYKBZCFTLF-FEWQNLEASA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375453280 157098851 /nfs/dbraw/zinc/09/88/51/157098851.db2.gz CBLCYXDNWNRAMU-FVQBIDKESA-N 2 1 262.397 2.040 20 0 CEADMP C[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375453283 157099255 /nfs/dbraw/zinc/09/92/55/157099255.db2.gz CBLCYXDNWNRAMU-NUEKZKHPSA-N 2 1 262.397 2.040 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]CC2(C)COC2)[C@H]1c1cccs1 ZINC000375750804 157135321 /nfs/dbraw/zinc/13/53/21/157135321.db2.gz ONUOWYGVIPUTFI-JSGCOSHPSA-N 2 1 280.437 2.367 20 0 CEADMP COC(=O)C(C)(C)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375767762 157141935 /nfs/dbraw/zinc/14/19/35/157141935.db2.gz IOZKCEYMINQDQK-PBWFPOADSA-N 2 1 282.428 2.133 20 0 CEADMP COC(=O)C(C)(C)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375767762 157141938 /nfs/dbraw/zinc/14/19/38/157141938.db2.gz IOZKCEYMINQDQK-PBWFPOADSA-N 2 1 282.428 2.133 20 0 CEADMP COC(=O)C(C)(C)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375767762 157141941 /nfs/dbraw/zinc/14/19/41/157141941.db2.gz IOZKCEYMINQDQK-PBWFPOADSA-N 2 1 282.428 2.133 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCCO)[C@@H]2CCC[C@@H]21 ZINC000375802786 157143145 /nfs/dbraw/zinc/14/31/45/157143145.db2.gz WORXUGZRISKBRG-KKUMJFAQSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000375783915 157145906 /nfs/dbraw/zinc/14/59/06/157145906.db2.gz GCXFEGOUYVSBSA-BSDSXHPESA-N 2 1 288.435 2.491 20 0 CEADMP CC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000532225863 298136746 /nfs/dbraw/zinc/13/67/46/298136746.db2.gz IHHCPOJUDCBXMS-OAGGEKHMSA-N 2 1 268.445 2.392 20 0 CEADMP COCCC[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178039482 165220979 /nfs/dbraw/zinc/22/09/79/165220979.db2.gz IXACEYQOSOGZFE-HRCADAONSA-N 2 1 286.460 2.281 20 0 CEADMP CC(C)N1CCC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1=O ZINC000178396996 165237662 /nfs/dbraw/zinc/23/76/62/165237662.db2.gz IZUCMYUTRYBHRS-GJZGRUSLSA-N 2 1 297.487 2.342 20 0 CEADMP CCc1cnc(C[N@@H+](C)CC2CC[NH2+]CC2)s1 ZINC000178982271 165267029 /nfs/dbraw/zinc/26/70/29/165267029.db2.gz RYCFTNAOPWFTSL-UHFFFAOYSA-N 2 1 253.415 2.137 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000179243193 165273388 /nfs/dbraw/zinc/27/33/88/165273388.db2.gz MJNFOSKOQFNJKB-CYBMUJFWSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCO[C@H](C)C1 ZINC000179243193 165273391 /nfs/dbraw/zinc/27/33/91/165273391.db2.gz MJNFOSKOQFNJKB-CYBMUJFWSA-N 2 1 251.374 2.083 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H](C)OC)CC1 ZINC000182384154 165369087 /nfs/dbraw/zinc/36/90/87/165369087.db2.gz JVUKZQCAEOGMRH-OAHLLOKOSA-N 2 1 286.460 2.092 20 0 CEADMP C[C@@H]([NH2+]Cc1cncn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183103065 165384474 /nfs/dbraw/zinc/38/44/74/165384474.db2.gz LXLQKWYLLZFBEZ-KGLIPLIRSA-N 2 1 276.428 2.163 20 0 CEADMP C[C@@H]([NH2+]Cc1cncn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183103065 165384475 /nfs/dbraw/zinc/38/44/75/165384475.db2.gz LXLQKWYLLZFBEZ-KGLIPLIRSA-N 2 1 276.428 2.163 20 0 CEADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000563381373 298767692 /nfs/dbraw/zinc/76/76/92/298767692.db2.gz OGVNCENUVDKDIR-AWEZNQCLSA-N 2 1 289.423 2.335 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc(O)c(OC)c2)CC1 ZINC000020189519 171055417 /nfs/dbraw/zinc/05/54/17/171055417.db2.gz YTPTXLAFTGRPDS-UHFFFAOYSA-N 2 1 278.396 2.365 20 0 CEADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000020523967 171236501 /nfs/dbraw/zinc/23/65/01/171236501.db2.gz YCTHPKAEQHUHBB-GOOCMWNKSA-N 2 1 290.407 2.419 20 0 CEADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000020523967 171236503 /nfs/dbraw/zinc/23/65/03/171236503.db2.gz YCTHPKAEQHUHBB-GOOCMWNKSA-N 2 1 290.407 2.419 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC000285338186 196254693 /nfs/dbraw/zinc/25/46/93/196254693.db2.gz RHZOXKLCTXRFTO-ZBFHGGJFSA-N 2 1 298.390 2.033 20 0 CEADMP C[N@@H+](CCCF)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285584452 196334356 /nfs/dbraw/zinc/33/43/56/196334356.db2.gz XCJHMFCGGNYVNK-UHFFFAOYSA-N 2 1 293.430 2.096 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C[NH+]1CCCCC1 ZINC000038041637 174043029 /nfs/dbraw/zinc/04/30/29/174043029.db2.gz CDBHMGQTXPGQBE-XYTVBORESA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C[NH+]1CCCCC1 ZINC000038041637 174043030 /nfs/dbraw/zinc/04/30/30/174043030.db2.gz CDBHMGQTXPGQBE-XYTVBORESA-N 3 1 279.472 2.323 20 0 CEADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C[NH+]1CCCCC1 ZINC000038041637 174043034 /nfs/dbraw/zinc/04/30/34/174043034.db2.gz CDBHMGQTXPGQBE-XYTVBORESA-N 3 1 279.472 2.323 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC000653892152 414774300 /nfs/dbraw/zinc/77/43/00/414774300.db2.gz BIDVQGHVPJRVMW-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000653892152 414774304 /nfs/dbraw/zinc/77/43/04/414774304.db2.gz BIDVQGHVPJRVMW-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@@H]1CN(CCC[NH3+])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404309742 414779374 /nfs/dbraw/zinc/77/93/74/414779374.db2.gz VJZXDYROPBTBOX-OAGGEKHMSA-N 2 1 275.440 2.319 20 0 CEADMP CCO[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000405275737 414794707 /nfs/dbraw/zinc/79/47/07/414794707.db2.gz XMSCPKLBIWPSPE-TZMCWYRMSA-N 2 1 268.788 2.136 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000405275737 414794714 /nfs/dbraw/zinc/79/47/14/414794714.db2.gz XMSCPKLBIWPSPE-TZMCWYRMSA-N 2 1 268.788 2.136 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2-n2cncn2)C1 ZINC000657182821 414797589 /nfs/dbraw/zinc/79/75/89/414797589.db2.gz CIHSJIPNLULVQP-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000420911363 414807577 /nfs/dbraw/zinc/80/75/77/414807577.db2.gz GHTROMVYCHMERJ-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000420911363 414807578 /nfs/dbraw/zinc/80/75/78/414807578.db2.gz GHTROMVYCHMERJ-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000420911363 414807581 /nfs/dbraw/zinc/80/75/81/414807581.db2.gz GHTROMVYCHMERJ-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000657306875 414847692 /nfs/dbraw/zinc/84/76/92/414847692.db2.gz ASQYUKBNVVEGQS-ZDUSSCGKSA-N 2 1 288.439 2.262 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000657306875 414847697 /nfs/dbraw/zinc/84/76/97/414847697.db2.gz ASQYUKBNVVEGQS-ZDUSSCGKSA-N 2 1 288.439 2.262 20 0 CEADMP Cc1c[nH]c(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000657311895 414850788 /nfs/dbraw/zinc/85/07/88/414850788.db2.gz YQLOIQPDFMWVIC-AWEZNQCLSA-N 2 1 264.417 2.462 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657314236 414855938 /nfs/dbraw/zinc/85/59/38/414855938.db2.gz YMZWLLZUHYUPGO-HUUCEWRRSA-N 2 1 290.455 2.287 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C1CCC1 ZINC000660659954 414920969 /nfs/dbraw/zinc/92/09/69/414920969.db2.gz CPZSRVLELLENTE-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@H](C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)C1CCC1 ZINC000660659954 414920973 /nfs/dbraw/zinc/92/09/73/414920973.db2.gz CPZSRVLELLENTE-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@H](C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)C1CCC1 ZINC000660659954 414920974 /nfs/dbraw/zinc/92/09/74/414920974.db2.gz CPZSRVLELLENTE-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C1=C(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)COCC1 ZINC000663345014 414922642 /nfs/dbraw/zinc/92/26/42/414922642.db2.gz FEYLJAQTFOPYMA-OAHLLOKOSA-N 2 1 264.413 2.045 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)Cc1ccccc1)C2 ZINC000660663003 414923204 /nfs/dbraw/zinc/92/32/04/414923204.db2.gz MKWDXKLVKIYCNQ-QZTJIDSGSA-N 2 1 288.435 2.008 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCCN(CCC[NH+]1CCCCC1)C2 ZINC000660662082 414923765 /nfs/dbraw/zinc/92/37/65/414923765.db2.gz HNMVRJYLKOFPAJ-KRWDZBQOSA-N 2 1 279.472 2.280 20 0 CEADMP Cc1cc(CO)cc(NC2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000663345801 414924150 /nfs/dbraw/zinc/92/41/50/414924150.db2.gz AUNVOWUIWDWGMC-UHFFFAOYSA-N 2 1 263.385 2.167 20 0 CEADMP Cc1cnc([C@H](C)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)o1 ZINC000660662649 414924779 /nfs/dbraw/zinc/92/47/79/414924779.db2.gz KILQZQMMBQYVFJ-ZFWWWQNUSA-N 2 1 263.385 2.462 20 0 CEADMP CC[NH+](CC)CCCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660660908 414925056 /nfs/dbraw/zinc/92/50/56/414925056.db2.gz BCOWWJLZSJBYNU-MRXNPFEDSA-N 2 1 267.461 2.136 20 0 CEADMP COCC1(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)CCC1 ZINC000660664698 414925339 /nfs/dbraw/zinc/92/53/39/414925339.db2.gz RRTWCQYKXDORSH-HNNXBMFYSA-N 2 1 266.429 2.221 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665119 414927043 /nfs/dbraw/zinc/92/70/43/414927043.db2.gz UGWYSPQFCXIYHG-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657348488 414875856 /nfs/dbraw/zinc/87/58/56/414875856.db2.gz XTCLYGKKEUPDRO-AWEZNQCLSA-N 2 1 276.428 2.039 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657348488 414875862 /nfs/dbraw/zinc/87/58/62/414875862.db2.gz XTCLYGKKEUPDRO-AWEZNQCLSA-N 2 1 276.428 2.039 20 0 CEADMP C[NH+](C)CC[C@H]([NH2+]Cc1cnc2n1CCC2)C(C)(C)C ZINC000657363609 414886527 /nfs/dbraw/zinc/88/65/27/414886527.db2.gz NYKCKAXOXVKJHE-AWEZNQCLSA-N 2 1 278.444 2.285 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CO[C@H](CC)C2)[C@@H](C)C1 ZINC000657362410 414888161 /nfs/dbraw/zinc/88/81/61/414888161.db2.gz BZIUJDRAVZRWRE-NXOAAHMSSA-N 2 1 298.471 2.281 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2C)CO1 ZINC000657374819 414894234 /nfs/dbraw/zinc/89/42/34/414894234.db2.gz QYGKQBPOIRPWAM-ZIAGYGMSSA-N 2 1 251.374 2.129 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000660776151 414970514 /nfs/dbraw/zinc/97/05/14/414970514.db2.gz HDEKBUNHWPWHPI-RDJZCZTQSA-N 2 1 293.455 2.084 20 0 CEADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497837 414970754 /nfs/dbraw/zinc/97/07/54/414970754.db2.gz KLYQYCNUMYATTJ-CBCUQQMYSA-N 2 1 287.407 2.054 20 0 CEADMP CC(C)[C@H]([NH3+])CCN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000663503398 414973209 /nfs/dbraw/zinc/97/32/09/414973209.db2.gz RAOKRZSOPBZEEX-KBAYOESNSA-N 2 1 289.467 2.470 20 0 CEADMP CC(C)[C@H]([NH3+])CCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000663503398 414973212 /nfs/dbraw/zinc/97/32/12/414973212.db2.gz RAOKRZSOPBZEEX-KBAYOESNSA-N 2 1 289.467 2.470 20 0 CEADMP CC[N@H+]1CCCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000660790110 414974454 /nfs/dbraw/zinc/97/44/54/414974454.db2.gz VDWZTABQMFLEHJ-ZACQAIPSSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCOCCc1ccccc1 ZINC000653298916 414978657 /nfs/dbraw/zinc/97/86/57/414978657.db2.gz RUQXVFKEZVENDC-WBVHZDCISA-N 2 1 276.424 2.447 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCOCCc1ccccc1 ZINC000653298914 414979936 /nfs/dbraw/zinc/97/99/36/414979936.db2.gz RUQXVFKEZVENDC-NVXWUHKLSA-N 2 1 276.424 2.447 20 0 CEADMP Cc1cc(CO)cc(N2CCC[C@H]([NH+]3CCCC3)CC2)[nH+]1 ZINC000663644029 415002590 /nfs/dbraw/zinc/00/25/90/415002590.db2.gz PJXHEFHQLBCBHC-INIZCTEOSA-N 2 1 289.423 2.337 20 0 CEADMP CCCCC[N@@H+](CCNC(=O)[C@H](C)[NH3+])Cc1ccccc1 ZINC000653200429 414945176 /nfs/dbraw/zinc/94/51/76/414945176.db2.gz DSEHKZWGZOFKME-HNNXBMFYSA-N 2 1 291.439 2.142 20 0 CEADMP Cc1sccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657753254 415067822 /nfs/dbraw/zinc/06/78/22/415067822.db2.gz VXQSMWDFAUDOFD-HNNXBMFYSA-N 2 1 280.437 2.399 20 0 CEADMP CC[C@@H](c1cccc(OC)c1)[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000653675814 415070600 /nfs/dbraw/zinc/07/06/00/415070600.db2.gz SPNCQHQQYOOINA-WBVHZDCISA-N 2 1 294.439 2.391 20 0 CEADMP CC[C@@H](c1cccc(OC)c1)[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000653675814 415070605 /nfs/dbraw/zinc/07/06/05/415070605.db2.gz SPNCQHQQYOOINA-WBVHZDCISA-N 2 1 294.439 2.391 20 0 CEADMP CC[C@@H](c1cccc(OC)c1)[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000653675814 415070611 /nfs/dbraw/zinc/07/06/11/415070611.db2.gz SPNCQHQQYOOINA-WBVHZDCISA-N 2 1 294.439 2.391 20 0 CEADMP CC[C@@H](c1cccc(OC)c1)[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000653675814 415070616 /nfs/dbraw/zinc/07/06/16/415070616.db2.gz SPNCQHQQYOOINA-WBVHZDCISA-N 2 1 294.439 2.391 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCn2nccc21 ZINC000657830257 415097181 /nfs/dbraw/zinc/09/71/81/415097181.db2.gz GCCYJYZHTZDVBP-ZDUSSCGKSA-N 2 1 250.390 2.038 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCn2nccc21 ZINC000657830257 415097185 /nfs/dbraw/zinc/09/71/85/415097185.db2.gz GCCYJYZHTZDVBP-ZDUSSCGKSA-N 2 1 250.390 2.038 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1C[C@@H]1c1ccccc1)CCO2 ZINC000660907432 415032342 /nfs/dbraw/zinc/03/23/42/415032342.db2.gz YLLFEWRJVSYRGA-IAGOWNOFSA-N 2 1 286.419 2.339 20 0 CEADMP COC[C@@H](CC1CCOCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000657830908 415099850 /nfs/dbraw/zinc/09/98/50/415099850.db2.gz WEJCQJHCXDOPEO-MRXNPFEDSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CCCn2nccc21)C[NH+]1CCCCC1 ZINC000657845399 415102119 /nfs/dbraw/zinc/10/21/19/415102119.db2.gz WEPXPBIBHLXESR-LSDHHAIUSA-N 2 1 276.428 2.430 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000653780040 415103905 /nfs/dbraw/zinc/10/39/05/415103905.db2.gz QTDTVTMVDRRDEN-GFCCVEGCSA-N 2 1 255.312 2.084 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000653780040 415103912 /nfs/dbraw/zinc/10/39/12/415103912.db2.gz QTDTVTMVDRRDEN-GFCCVEGCSA-N 2 1 255.312 2.084 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCCC[C@H]1CO ZINC000653783149 415106495 /nfs/dbraw/zinc/10/64/95/415106495.db2.gz FBPDFDCZNMHUOB-HNNXBMFYSA-N 2 1 265.401 2.209 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCCC[C@H]1CO ZINC000653783149 415106500 /nfs/dbraw/zinc/10/65/00/415106500.db2.gz FBPDFDCZNMHUOB-HNNXBMFYSA-N 2 1 265.401 2.209 20 0 CEADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000657974351 415141949 /nfs/dbraw/zinc/14/19/49/415141949.db2.gz ODPQZDRKIDNMMY-JKSUJKDBSA-N 2 1 296.842 2.317 20 0 CEADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000657974351 415141952 /nfs/dbraw/zinc/14/19/52/415141952.db2.gz ODPQZDRKIDNMMY-JKSUJKDBSA-N 2 1 296.842 2.317 20 0 CEADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000657974350 415141998 /nfs/dbraw/zinc/14/19/98/415141998.db2.gz ODPQZDRKIDNMMY-HZPDHXFCSA-N 2 1 296.842 2.317 20 0 CEADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000657974350 415142002 /nfs/dbraw/zinc/14/20/02/415142002.db2.gz ODPQZDRKIDNMMY-HZPDHXFCSA-N 2 1 296.842 2.317 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2CC[NH+]2C(C)(C)C)[C@H](C)C1 ZINC000658057570 415178730 /nfs/dbraw/zinc/17/87/30/415178730.db2.gz PGFJEWRCPJKAQO-KFWWJZLASA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CC[N@@H+]2C(C)(C)C)[C@H](C)C1 ZINC000658057570 415178735 /nfs/dbraw/zinc/17/87/35/415178735.db2.gz PGFJEWRCPJKAQO-KFWWJZLASA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CC[N@H+]2C(C)(C)C)[C@H](C)C1 ZINC000658057570 415178737 /nfs/dbraw/zinc/17/87/37/415178737.db2.gz PGFJEWRCPJKAQO-KFWWJZLASA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN2C(C)(C)C)[C@H](C)C1 ZINC000658057570 415178743 /nfs/dbraw/zinc/17/87/43/415178743.db2.gz PGFJEWRCPJKAQO-KFWWJZLASA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN2C(C)(C)C)[C@H](C)C1 ZINC000658057570 415178747 /nfs/dbraw/zinc/17/87/47/415178747.db2.gz PGFJEWRCPJKAQO-KFWWJZLASA-N 2 1 267.461 2.179 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cn1 ZINC000044494417 175182119 /nfs/dbraw/zinc/18/21/19/175182119.db2.gz YCVHWSZGRLVHNH-GFCCVEGCSA-N 2 1 252.406 2.141 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccn1 ZINC000658066470 415187590 /nfs/dbraw/zinc/18/75/90/415187590.db2.gz LXAFOXGPPJGKNQ-HOCLYGCPSA-N 2 1 289.423 2.028 20 0 CEADMP CN(Cc1cnc[nH]1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000664289713 415260661 /nfs/dbraw/zinc/26/06/61/415260661.db2.gz YECLBYSHFNHCEB-UHFFFAOYSA-N 2 1 287.367 2.135 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2(C)C)[C@H]2CCC[C@@H]21 ZINC000658329406 415318453 /nfs/dbraw/zinc/31/84/53/415318453.db2.gz FMEDIGFIEXZKIE-XGUBFFRZSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H](O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658348211 415329831 /nfs/dbraw/zinc/32/98/31/415329831.db2.gz NASJJVRGNDRAKN-ORQFMDKSSA-N 2 1 274.408 2.010 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CS1 ZINC000655693961 415393707 /nfs/dbraw/zinc/39/37/07/415393707.db2.gz BKCLNIPGYBWFKD-MQYQWHSLSA-N 2 1 254.443 2.487 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CS1 ZINC000655693963 415394031 /nfs/dbraw/zinc/39/40/31/415394031.db2.gz BKCLNIPGYBWFKD-YIYPIFLZSA-N 2 1 254.443 2.487 20 0 CEADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000655698451 415394128 /nfs/dbraw/zinc/39/41/28/415394128.db2.gz DOIXKSAALWXKRZ-DLBZAZTESA-N 2 1 288.435 2.337 20 0 CEADMP CC(C)CCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655697973 415394877 /nfs/dbraw/zinc/39/48/77/415394877.db2.gz SJZBZLQCYGVICK-OAHLLOKOSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000655701280 415397089 /nfs/dbraw/zinc/39/70/89/415397089.db2.gz QYVILDRIJVYKSL-BBRMVZONSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@H](C[C@@H](C)CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655717287 415409180 /nfs/dbraw/zinc/40/91/80/415409180.db2.gz AFWIWVCNJIDVHS-BFYDXBDKSA-N 2 1 298.471 2.017 20 0 CEADMP CC(C)(C)C[C@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655735796 415422708 /nfs/dbraw/zinc/42/27/08/415422708.db2.gz YQANICMOSUASTK-CVEARBPZSA-N 2 1 298.471 2.017 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+]C2(C3CC3)CC2)CC1 ZINC000655743910 415429441 /nfs/dbraw/zinc/42/94/41/415429441.db2.gz MAEMXNXJPBBQJW-HNNXBMFYSA-N 2 1 264.413 2.162 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](CCc1cncn1C)C2 ZINC000661742264 415437526 /nfs/dbraw/zinc/43/75/26/415437526.db2.gz LSOBMFZEOJMLNW-UHFFFAOYSA-N 2 1 271.364 2.030 20 0 CEADMP CO[C@@](C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000655770122 415448673 /nfs/dbraw/zinc/44/86/73/415448673.db2.gz YRFPDROEXBZSKE-SJORKVTESA-N 2 1 296.455 2.035 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000655780629 415461766 /nfs/dbraw/zinc/46/17/66/415461766.db2.gz ZZEVJPCGNXCOJU-CQSZACIVSA-N 2 1 276.428 2.041 20 0 CEADMP c1ccc2c(CC[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)noc2c1 ZINC000655941448 415558464 /nfs/dbraw/zinc/55/84/64/415558464.db2.gz URCLUMLTAZTZRP-GXTWGEPZSA-N 2 1 271.364 2.054 20 0 CEADMP c1ccc2c(CC[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)noc2c1 ZINC000655941448 415558470 /nfs/dbraw/zinc/55/84/70/415558470.db2.gz URCLUMLTAZTZRP-GXTWGEPZSA-N 2 1 271.364 2.054 20 0 CEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000655945941 415559839 /nfs/dbraw/zinc/55/98/39/415559839.db2.gz IERMPBXOHCSLIS-DZGCQCFKSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)C1CCC(F)CC1 ZINC000661999344 415565602 /nfs/dbraw/zinc/56/56/02/415565602.db2.gz UIFCJKKOGULQGN-XSCHDIRWSA-N 2 1 274.424 2.194 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000665251421 415650841 /nfs/dbraw/zinc/65/08/41/415650841.db2.gz OUZMJZKAEGSDOD-MWQQHZPXSA-N 2 1 274.408 2.147 20 0 CEADMP CC(C)NC(=O)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000662113968 415631206 /nfs/dbraw/zinc/63/12/06/415631206.db2.gz RMAVDOSQBYNHRL-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)NC(=O)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000662113968 415631214 /nfs/dbraw/zinc/63/12/14/415631214.db2.gz RMAVDOSQBYNHRL-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)NC(=O)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000662113968 415631223 /nfs/dbraw/zinc/63/12/23/415631223.db2.gz RMAVDOSQBYNHRL-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP COc1cccc2c1OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000656201905 415635935 /nfs/dbraw/zinc/63/59/35/415635935.db2.gz UYYJMCHAAPXKST-YOOVYSLHSA-N 2 1 288.391 2.391 20 0 CEADMP C[C@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000665251094 415650216 /nfs/dbraw/zinc/65/02/16/415650216.db2.gz HEKNACLTSCUGHS-DZJNRPSUSA-N 2 1 287.451 2.204 20 0 CEADMP O[C@@H]1CC[N@@H+](C2CC[NH+](CCCc3ccsc3)CC2)C1 ZINC000662153353 415656869 /nfs/dbraw/zinc/65/68/69/415656869.db2.gz QUROJEDAGVSFBH-MRXNPFEDSA-N 2 1 294.464 2.212 20 0 CEADMP O[C@@H]1CC[N@H+](C2CC[NH+](CCCc3ccsc3)CC2)C1 ZINC000662153353 415656872 /nfs/dbraw/zinc/65/68/72/415656872.db2.gz QUROJEDAGVSFBH-MRXNPFEDSA-N 2 1 294.464 2.212 20 0 CEADMP C1C[N@@H+](C2CCCCC2)C[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000665268638 415660896 /nfs/dbraw/zinc/66/08/96/415660896.db2.gz SFWZSDFHTHCLIM-NXOAAHMSSA-N 3 1 291.483 2.371 20 0 CEADMP C1C[N@H+](C2CCCCC2)C[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000665268638 415660901 /nfs/dbraw/zinc/66/09/01/415660901.db2.gz SFWZSDFHTHCLIM-NXOAAHMSSA-N 3 1 291.483 2.371 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000662160008 415662853 /nfs/dbraw/zinc/66/28/53/415662853.db2.gz HGMKHSPVLCEJHK-RRFJBIMHSA-N 2 1 256.434 2.341 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000662160008 415662859 /nfs/dbraw/zinc/66/28/59/415662859.db2.gz HGMKHSPVLCEJHK-RRFJBIMHSA-N 2 1 256.434 2.341 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000662160008 415662862 /nfs/dbraw/zinc/66/28/62/415662862.db2.gz HGMKHSPVLCEJHK-RRFJBIMHSA-N 2 1 256.434 2.341 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1c[nH+]ccc1N ZINC000665272540 415663858 /nfs/dbraw/zinc/66/38/58/415663858.db2.gz HBIWHLLFIJVKGG-HWPZZCPQSA-N 2 1 268.364 2.414 20 0 CEADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc2ccccc21 ZINC000071148716 176044620 /nfs/dbraw/zinc/04/46/20/176044620.db2.gz PJFLXQSGBDPDQI-UHFFFAOYSA-N 2 1 283.419 2.177 20 0 CEADMP CC(C)C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662253086 415717078 /nfs/dbraw/zinc/71/70/78/415717078.db2.gz USAMIOLSKBILQW-HNNXBMFYSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@@]1(C)CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256626 415726702 /nfs/dbraw/zinc/72/67/02/415726702.db2.gz XCIDFKVMWWYOFH-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(C4CC4)no3)C[C@@H]21 ZINC000662265238 415732736 /nfs/dbraw/zinc/73/27/36/415732736.db2.gz GREVYYYWPHLCDH-FPMFFAJLSA-N 2 1 261.369 2.111 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(C4CC4)no3)C[C@@H]21 ZINC000662265238 415732743 /nfs/dbraw/zinc/73/27/43/415732743.db2.gz GREVYYYWPHLCDH-FPMFFAJLSA-N 2 1 261.369 2.111 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](OC)C1CCCCC1 ZINC000662245091 415707784 /nfs/dbraw/zinc/70/77/84/415707784.db2.gz KDTGJPAUVSPIHL-GJZGRUSLSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](OC)C1CCCCC1 ZINC000662245091 415707792 /nfs/dbraw/zinc/70/77/92/415707792.db2.gz KDTGJPAUVSPIHL-GJZGRUSLSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248548 415709918 /nfs/dbraw/zinc/70/99/18/415709918.db2.gz FSVZTOZGRVDRBV-HIFRSBDPSA-N 2 1 260.381 2.200 20 0 CEADMP Fc1ccc(C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662248435 415712109 /nfs/dbraw/zinc/71/21/09/415712109.db2.gz BNWLIRYTBYIWPJ-MRXNPFEDSA-N 2 1 290.382 2.311 20 0 CEADMP FC1(F)C[C@@H]1OCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662273566 415739760 /nfs/dbraw/zinc/73/97/60/415739760.db2.gz OLQMMMLSKWIYDF-MCIONIFRSA-N 2 1 288.382 2.122 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc(C)n1 ZINC000662272587 415740045 /nfs/dbraw/zinc/74/00/45/415740045.db2.gz GHWRYHITTCKLPW-HOTGVXAUSA-N 2 1 288.439 2.305 20 0 CEADMP COc1cccc(SCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000662274385 415742881 /nfs/dbraw/zinc/74/28/81/415742881.db2.gz SSDUVOUTEFOYGN-XJKSGUPXSA-N 2 1 292.448 2.471 20 0 CEADMP COc1cccc(SCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000662274385 415742884 /nfs/dbraw/zinc/74/28/84/415742884.db2.gz SSDUVOUTEFOYGN-XJKSGUPXSA-N 2 1 292.448 2.471 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000662278480 415746042 /nfs/dbraw/zinc/74/60/42/415746042.db2.gz YEGILCQALCLFRB-IIAWOOMASA-N 2 1 262.397 2.179 20 0 CEADMP COc1cccc(SCC[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000662273614 415738956 /nfs/dbraw/zinc/73/89/56/415738956.db2.gz PQLRTPHJNJPBMV-HNNXBMFYSA-N 2 1 280.437 2.458 20 0 CEADMP OCC[C@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662299125 415762558 /nfs/dbraw/zinc/76/25/58/415762558.db2.gz KWWVGTSUNHQCLR-MRXNPFEDSA-N 2 1 274.408 2.069 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCc2cccnc2)[C@@H]1CCC[NH3+] ZINC000662316061 415773796 /nfs/dbraw/zinc/77/37/96/415773796.db2.gz JONALHYELLFKBM-GDBMZVCRSA-N 2 1 261.413 2.464 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCOC[C@@H]2CCCO2)[C@@H]1CCC[NH3+] ZINC000662316484 415774073 /nfs/dbraw/zinc/77/40/73/415774073.db2.gz WXKWGASICITGDZ-OWCLPIDISA-N 2 1 284.444 2.021 20 0 CEADMP CCc1nocc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000662285259 415751087 /nfs/dbraw/zinc/75/10/87/415751087.db2.gz IIURSAGZGDYDSI-SMDDNHRTSA-N 2 1 251.374 2.186 20 0 CEADMP C[C@H]1CN(C[C@@H]2C[NH2+]CCO2)CCc2ccc(Cl)cc21 ZINC000662283597 415753632 /nfs/dbraw/zinc/75/36/32/415753632.db2.gz BENLKCMDPSGPST-WFASDCNBSA-N 2 1 294.826 2.290 20 0 CEADMP CCc1nocc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292380 415756167 /nfs/dbraw/zinc/75/61/67/415756167.db2.gz FEAHRIUKQWQGLU-AWEZNQCLSA-N 2 1 277.412 2.449 20 0 CEADMP CCOCCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295579 415758309 /nfs/dbraw/zinc/75/83/09/415758309.db2.gz HBHUFIKJMJOIHE-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP CCOCCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295581 415759706 /nfs/dbraw/zinc/75/97/06/415759706.db2.gz HBHUFIKJMJOIHE-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662321448 415778797 /nfs/dbraw/zinc/77/87/97/415778797.db2.gz INVZMTYPWUBGOW-HNNXBMFYSA-N 2 1 254.418 2.254 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCOc2ccccc2)CCO1 ZINC000662318528 415779258 /nfs/dbraw/zinc/77/92/58/415779258.db2.gz AZTSZVKDODWZDV-QGZVFWFLSA-N 2 1 292.423 2.108 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCOc2ccccc2)CCO1 ZINC000662318528 415779261 /nfs/dbraw/zinc/77/92/61/415779261.db2.gz AZTSZVKDODWZDV-QGZVFWFLSA-N 2 1 292.423 2.108 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCC2CCC2)CCO1 ZINC000662325439 415781323 /nfs/dbraw/zinc/78/13/23/415781323.db2.gz GHVZGJBFTVELQB-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3c(n2)CCC3)C1 ZINC000656622228 415789720 /nfs/dbraw/zinc/78/97/20/415789720.db2.gz HKKGVXFNZMKUAZ-QAPCUYQASA-N 2 1 285.435 2.486 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3c(n2)CCC3)C1 ZINC000656622228 415789722 /nfs/dbraw/zinc/78/97/22/415789722.db2.gz HKKGVXFNZMKUAZ-QAPCUYQASA-N 2 1 285.435 2.486 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3c(n2)CCC3)C1 ZINC000656622228 415789726 /nfs/dbraw/zinc/78/97/26/415789726.db2.gz HKKGVXFNZMKUAZ-QAPCUYQASA-N 2 1 285.435 2.486 20 0 CEADMP CC(C)[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000662342501 415790883 /nfs/dbraw/zinc/79/08/83/415790883.db2.gz GUESDFOHKJWZSF-CQSZACIVSA-N 2 1 297.830 2.057 20 0 CEADMP COCC1([NH2+]CCn2cc[nH+]c2C)CCCCC1 ZINC000662341736 415791854 /nfs/dbraw/zinc/79/18/54/415791854.db2.gz UKMRSOSITPXXTB-UHFFFAOYSA-N 2 1 251.374 2.130 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN[C@]1(c2ccccc2)CC1(C)C ZINC000662341171 415791947 /nfs/dbraw/zinc/79/19/47/415791947.db2.gz QKYMOXFYRRNVOC-WBVHZDCISA-N 2 1 276.424 2.214 20 0 CEADMP FC1(F)C[C@H]1OCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659943365 415798307 /nfs/dbraw/zinc/79/83/07/415798307.db2.gz BQLSYVNJDLKMKO-UONOGXRCSA-N 2 1 288.382 2.361 20 0 CEADMP FC1(F)C[C@H]1OCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659943365 415798309 /nfs/dbraw/zinc/79/83/09/415798309.db2.gz BQLSYVNJDLKMKO-UONOGXRCSA-N 2 1 288.382 2.361 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC12CC=CC2 ZINC000656700701 415821440 /nfs/dbraw/zinc/82/14/40/415821440.db2.gz SQAUXRJUUBCKJJ-CVEARBPZSA-N 2 1 280.456 2.364 20 0 CEADMP CC(C)[C@@H]1[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC12CC=CC2 ZINC000656700701 415821444 /nfs/dbraw/zinc/82/14/44/415821444.db2.gz SQAUXRJUUBCKJJ-CVEARBPZSA-N 2 1 280.456 2.364 20 0 CEADMP CC(C)[C@@H]1[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC12CC=CC2 ZINC000656700701 415821451 /nfs/dbraw/zinc/82/14/51/415821451.db2.gz SQAUXRJUUBCKJJ-CVEARBPZSA-N 2 1 280.456 2.364 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000662403146 415825346 /nfs/dbraw/zinc/82/53/46/415825346.db2.gz JLBURUXTOXGJSH-JYJNAYRXSA-N 2 1 297.487 2.234 20 0 CEADMP COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)on1 ZINC000660114428 415888239 /nfs/dbraw/zinc/88/82/39/415888239.db2.gz HDAIXFIWNGOJSG-SWLSCSKDSA-N 2 1 291.395 2.132 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000660141251 415899609 /nfs/dbraw/zinc/89/96/09/415899609.db2.gz SRNNMHMGONYMDM-DFGXFYAUSA-N 2 1 291.483 2.133 20 0 CEADMP C[C@H](CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000662623021 415907982 /nfs/dbraw/zinc/90/79/82/415907982.db2.gz WLZZFABGOAMKDO-ILXRZTDVSA-N 2 1 295.471 2.001 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)NCC1([NH3+])CCCC1)c1ccccc1 ZINC000662652505 415919489 /nfs/dbraw/zinc/91/94/89/415919489.db2.gz LPMRVAQCIVMUGO-HNNXBMFYSA-N 2 1 289.423 2.067 20 0 CEADMP C[C@@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[N@H+]1CCCC[C@@H]1C ZINC000662678866 415927357 /nfs/dbraw/zinc/92/73/57/415927357.db2.gz JDSUNKNNDMDCJQ-KBPBESRZSA-N 2 1 293.455 2.040 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cnc3ccc(Cl)cn23)CCCC1 ZINC000656788592 415861516 /nfs/dbraw/zinc/86/15/16/415861516.db2.gz UVYTTXOXIPZUDB-UHFFFAOYSA-N 2 1 278.787 2.349 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)CCCCC1 ZINC000656787109 415862064 /nfs/dbraw/zinc/86/20/64/415862064.db2.gz TYVIECVLSRAVKS-UHFFFAOYSA-N 3 1 273.424 2.084 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC1([NH3+])CCCC1 ZINC000656789489 415864470 /nfs/dbraw/zinc/86/44/70/415864470.db2.gz OXDKEVUIWYJBPS-DOTOQJQBSA-N 2 1 287.451 2.368 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000656789489 415864473 /nfs/dbraw/zinc/86/44/73/415864473.db2.gz OXDKEVUIWYJBPS-DOTOQJQBSA-N 2 1 287.451 2.368 20 0 CEADMP COC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789246 415864976 /nfs/dbraw/zinc/86/49/76/415864976.db2.gz UMCNUZJHSDEVPY-FVQBIDKESA-N 2 1 262.397 2.004 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(O)CC2)C1 ZINC000353459483 287347868 /nfs/dbraw/zinc/34/78/68/287347868.db2.gz HXKIENBUSPEMBT-QQFBHYJXSA-N 2 1 268.445 2.392 20 0 CEADMP CCn1cncc1CN[C@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000417921368 227177067 /nfs/dbraw/zinc/17/70/67/227177067.db2.gz FABFEDFCCGQXRY-BBRMVZONSA-N 2 1 298.390 2.187 20 0 CEADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1nc2c(s1)CCC2 ZINC000666743345 419413983 /nfs/dbraw/zinc/41/39/83/419413983.db2.gz BFKMHMNOKIMACZ-GHMZBOCLSA-N 2 1 265.426 2.239 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000313997084 419480901 /nfs/dbraw/zinc/48/09/01/419480901.db2.gz OWDZNNPMWBIJID-YOEHRIQHSA-N 2 1 290.407 2.265 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C(C)(C)C ZINC000667040120 419526386 /nfs/dbraw/zinc/52/63/86/419526386.db2.gz VBNOWPYINPWWJH-GXTWGEPZSA-N 2 1 279.432 2.056 20 0 CEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000666172148 419564939 /nfs/dbraw/zinc/56/49/39/419564939.db2.gz JJRMSOGEPXTERN-CABCVRRESA-N 3 1 267.461 2.038 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1C ZINC000666998207 419508001 /nfs/dbraw/zinc/50/80/01/419508001.db2.gz IGCFVSOWEBMBLG-AWEZNQCLSA-N 2 1 276.428 2.284 20 0 CEADMP CC(C)(C)n1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000666998336 419508583 /nfs/dbraw/zinc/50/85/83/419508583.db2.gz ODJHXAPMLGWMMU-CQSZACIVSA-N 2 1 276.428 2.402 20 0 CEADMP CC[N@@H+](Cc1cnc(C)n1C)Cc1ccc2c(c1)OCO2 ZINC000667485116 419693727 /nfs/dbraw/zinc/69/37/27/419693727.db2.gz HPFAMBHEBWQFDO-UHFFFAOYSA-N 2 1 287.363 2.479 20 0 CEADMP COC[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000667620957 419736110 /nfs/dbraw/zinc/73/61/10/419736110.db2.gz VMIJNVGRSBRBHR-AWEZNQCLSA-N 2 1 286.379 2.126 20 0 CEADMP COC[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667620957 419736122 /nfs/dbraw/zinc/73/61/22/419736122.db2.gz VMIJNVGRSBRBHR-AWEZNQCLSA-N 2 1 286.379 2.126 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cccc(C[NH3+])c2)C[C@@H]1C ZINC000667724016 419783344 /nfs/dbraw/zinc/78/33/44/419783344.db2.gz SCFBYHWEJHSWHA-QWHCGFSZSA-N 2 1 290.411 2.092 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000521371889 260089622 /nfs/dbraw/zinc/08/96/22/260089622.db2.gz OXEBRAXGDWVNSU-ARFHVFGLSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000521371889 260089623 /nfs/dbraw/zinc/08/96/23/260089623.db2.gz OXEBRAXGDWVNSU-ARFHVFGLSA-N 2 1 279.472 2.322 20 0 CEADMP CCC[NH2+][C@@H](C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449101104 260218764 /nfs/dbraw/zinc/21/87/64/260218764.db2.gz UAWYEXDWAMAVEJ-ZNMIVQPWSA-N 2 1 297.487 2.247 20 0 CEADMP CC(C)C1CC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000488451420 262324390 /nfs/dbraw/zinc/32/43/90/262324390.db2.gz SDVSYVJJGOIETG-UYSNPLJNSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414774017 263043429 /nfs/dbraw/zinc/04/34/29/263043429.db2.gz FBQOCTLGPPGSOS-IRXDYDNUSA-N 2 1 290.455 2.361 20 0 CEADMP CS[C@@H]1CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000425340373 264007739 /nfs/dbraw/zinc/00/77/39/264007739.db2.gz DYBKTZIBUHHXNU-QWHCGFSZSA-N 2 1 253.415 2.455 20 0 CEADMP CCCN(CC[NH+](CC)CC)Cc1c[nH+]c(N(C)C)n1C ZINC000425334037 264010123 /nfs/dbraw/zinc/01/01/23/264010123.db2.gz GBJDVPHKFXAIBK-UHFFFAOYSA-N 2 1 295.475 2.040 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CC2)[C@@H](C)C1 ZINC000425415855 264293109 /nfs/dbraw/zinc/29/31/09/264293109.db2.gz KNJHLBIKTKHXDS-AEGPPILISA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)C2CC2)[C@@H](C)C1 ZINC000425415855 264293110 /nfs/dbraw/zinc/29/31/10/264293110.db2.gz KNJHLBIKTKHXDS-AEGPPILISA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)C2CC2)[C@@H](C)C1 ZINC000425415855 264293111 /nfs/dbraw/zinc/29/31/11/264293111.db2.gz KNJHLBIKTKHXDS-AEGPPILISA-N 2 1 254.418 2.074 20 0 CEADMP CC[C@@H](C)C[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192738245 270279488 /nfs/dbraw/zinc/27/94/88/270279488.db2.gz BVOBQUBTYXOCMA-MRXNPFEDSA-N 2 1 269.477 2.380 20 0 CEADMP C[C@H]1C[C@H](NCCC[NH2+]C2CC2)C[N@H+]1Cc1ccccc1 ZINC000398022111 270356120 /nfs/dbraw/zinc/35/61/20/270356120.db2.gz IJLOHKRJONBHAH-YJBOKZPZSA-N 2 1 287.451 2.381 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420353764 270523601 /nfs/dbraw/zinc/52/36/01/270523601.db2.gz BZWWJDJRKPTGRP-ZDUSSCGKSA-N 2 1 260.385 2.106 20 0 CEADMP CC[C@H]([NH2+]CCN(C)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422810870 270779321 /nfs/dbraw/zinc/77/93/21/270779321.db2.gz OCYXXKDJYQRPKO-HOTGVXAUSA-N 2 1 261.413 2.243 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000423121424 270842082 /nfs/dbraw/zinc/84/20/82/270842082.db2.gz IRWZNGJMAMDEFR-KBPBESRZSA-N 2 1 258.369 2.313 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[N@H+]1CCCC1(C)C ZINC000423160835 270855505 /nfs/dbraw/zinc/85/55/05/270855505.db2.gz IAWKVSAIFVBUAW-ZDUSSCGKSA-N 2 1 290.455 2.374 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCN1CCCC1(C)C ZINC000423160835 270855508 /nfs/dbraw/zinc/85/55/08/270855508.db2.gz IAWKVSAIFVBUAW-ZDUSSCGKSA-N 2 1 290.455 2.374 20 0 CEADMP CCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH2+]CC2)s1 ZINC000423179117 270861904 /nfs/dbraw/zinc/86/19/04/270861904.db2.gz HATNDFZUAUWPCB-SECBINFHSA-N 2 1 253.415 2.417 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000423282344 270888558 /nfs/dbraw/zinc/88/85/58/270888558.db2.gz VVFIDYKSMRUOPS-GXTWGEPZSA-N 2 1 278.396 2.482 20 0 CEADMP C[N@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423352525 270902847 /nfs/dbraw/zinc/90/28/47/270902847.db2.gz BJRZBWIYQUNPTL-BRWVUGGUSA-N 2 1 273.424 2.164 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423359521 270903363 /nfs/dbraw/zinc/90/33/63/270903363.db2.gz KTFQTITVKYMBAM-KFWWJZLASA-N 2 1 295.471 2.001 20 0 CEADMP C[N@H+]1CC[C@@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424130245 271021448 /nfs/dbraw/zinc/02/14/48/271021448.db2.gz HGEZKYIBNKOMOL-HOTGVXAUSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000424197372 271031147 /nfs/dbraw/zinc/03/11/47/271031147.db2.gz HJJJMQMLOXFYFB-MWQQHZPXSA-N 2 1 274.408 2.152 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000424197372 271031151 /nfs/dbraw/zinc/03/11/51/271031151.db2.gz HJJJMQMLOXFYFB-MWQQHZPXSA-N 2 1 274.408 2.152 20 0 CEADMP CCCCOCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424283822 271039294 /nfs/dbraw/zinc/03/92/94/271039294.db2.gz CHCLSWDSXZWINA-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CCCc1ccncc1)CC[NH2+]CC2 ZINC000424293729 271040695 /nfs/dbraw/zinc/04/06/95/271040695.db2.gz PTQPQNJBLBDRSP-OAHLLOKOSA-N 2 1 273.424 2.478 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424333568 271046894 /nfs/dbraw/zinc/04/68/94/271046894.db2.gz UNUAKDAYUOXSOM-RKTXRCNFSA-N 2 1 274.408 2.010 20 0 CEADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000424339097 271048755 /nfs/dbraw/zinc/04/87/55/271048755.db2.gz VQSAJNFIRLQXLO-ZIAGYGMSSA-N 2 1 286.379 2.139 20 0 CEADMP CC(C)c1nnc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000426310007 271210914 /nfs/dbraw/zinc/21/09/14/271210914.db2.gz MBUAQCXHFNNRQO-QWHCGFSZSA-N 2 1 294.468 2.420 20 0 CEADMP CC(C)c1nnc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000426295105 271211067 /nfs/dbraw/zinc/21/10/67/271211067.db2.gz MNIYWRJEKUGULR-NEPJUHHUSA-N 2 1 282.457 2.276 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)CC[NH+]1CCCC[C@H]1C ZINC000428508123 271276979 /nfs/dbraw/zinc/27/69/79/271276979.db2.gz HSYNXWHFNLOVQY-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000428508123 271276982 /nfs/dbraw/zinc/27/69/82/271276982.db2.gz HSYNXWHFNLOVQY-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000428508123 271276985 /nfs/dbraw/zinc/27/69/85/271276985.db2.gz HSYNXWHFNLOVQY-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP COC1(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000429522157 271336295 /nfs/dbraw/zinc/33/62/95/271336295.db2.gz SPIVSKDMTCQFML-IHRRRGAJSA-N 2 1 254.418 2.406 20 0 CEADMP COC1(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000429522157 271336299 /nfs/dbraw/zinc/33/62/99/271336299.db2.gz SPIVSKDMTCQFML-IHRRRGAJSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000430573813 271391751 /nfs/dbraw/zinc/39/17/51/271391751.db2.gz MUQJSTNFLLUHLV-GJZGRUSLSA-N 2 1 261.413 2.182 20 0 CEADMP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430591226 271396296 /nfs/dbraw/zinc/39/62/96/271396296.db2.gz NNMDHPHZQCXXDY-RRFJBIMHSA-N 2 1 289.423 2.097 20 0 CEADMP C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430591226 271396300 /nfs/dbraw/zinc/39/63/00/271396300.db2.gz NNMDHPHZQCXXDY-RRFJBIMHSA-N 2 1 289.423 2.097 20 0 CEADMP Brc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)C2 ZINC000335498469 273474205 /nfs/dbraw/zinc/47/42/05/273474205.db2.gz NLAZOGMASMSEEN-KGLIPLIRSA-N 2 1 295.224 2.258 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]C1CCN(c2nccs2)CC1 ZINC000414819031 273606490 /nfs/dbraw/zinc/60/64/90/273606490.db2.gz XQLQSYMROUSLNQ-CYBMUJFWSA-N 2 1 282.457 2.219 20 0 CEADMP COC[C@]1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CCC[NH2+]1 ZINC000414942891 274052873 /nfs/dbraw/zinc/05/28/73/274052873.db2.gz CHTVLYHKJMWIME-HZPDHXFCSA-N 2 1 294.826 2.165 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)CC2 ZINC000271896487 274127294 /nfs/dbraw/zinc/12/72/94/274127294.db2.gz UHRCZJQOBYOZPH-QGZVFWFLSA-N 2 1 286.419 2.404 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000358294136 274335575 /nfs/dbraw/zinc/33/55/75/274335575.db2.gz YMVDKGMJOMFMNE-RBSFLKMASA-N 2 1 290.407 2.146 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000245224817 274340369 /nfs/dbraw/zinc/34/03/69/274340369.db2.gz FTZSDNCEGOWZGK-RRCSTGOVSA-N 2 1 274.408 2.308 20 0 CEADMP O[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCc2ccccc21 ZINC000246412573 275060296 /nfs/dbraw/zinc/06/02/96/275060296.db2.gz MNKHRZAQQQQLIC-RYRKJORJSA-N 2 1 286.419 2.037 20 0 CEADMP CCCOC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367198443 276018777 /nfs/dbraw/zinc/01/87/77/276018777.db2.gz BWPWZJHBMVAVBW-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP CC[N@H+](C[C@@H]1COc2ccccc2O1)C[C@H]1CCC[NH2+]C1 ZINC000226434701 276137119 /nfs/dbraw/zinc/13/71/19/276137119.db2.gz LXAFZDSIELDGBK-LSDHHAIUSA-N 2 1 290.407 2.148 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000290418247 276151817 /nfs/dbraw/zinc/15/18/17/276151817.db2.gz KNZSJNXPXDOKGK-IXDOHACOSA-N 2 1 256.393 2.399 20 0 CEADMP CC1CCC(O)(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000369612603 276192417 /nfs/dbraw/zinc/19/24/17/276192417.db2.gz BRCPRKMOAOHJKI-ONWVLEABSA-N 2 1 292.467 2.344 20 0 CEADMP CC1CCC(O)(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000369612603 276192419 /nfs/dbraw/zinc/19/24/19/276192419.db2.gz BRCPRKMOAOHJKI-ONWVLEABSA-N 2 1 292.467 2.344 20 0 CEADMP CC1CCC(O)(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000369612603 276192420 /nfs/dbraw/zinc/19/24/20/276192420.db2.gz BRCPRKMOAOHJKI-ONWVLEABSA-N 2 1 292.467 2.344 20 0 CEADMP CCOC(=O)C1CCC([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000414929642 276274353 /nfs/dbraw/zinc/27/43/53/276274353.db2.gz OWFZXFMIRUQOAY-NRXISQOPSA-N 2 1 296.455 2.476 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)C(C)C ZINC000348122634 276349114 /nfs/dbraw/zinc/34/91/14/276349114.db2.gz KSPFVLRFODUUMT-NEPJUHHUSA-N 2 1 282.350 2.416 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)C(C)C ZINC000348122634 276349117 /nfs/dbraw/zinc/34/91/17/276349117.db2.gz KSPFVLRFODUUMT-NEPJUHHUSA-N 2 1 282.350 2.416 20 0 CEADMP CC[C@H](C[NH2+][C@H](C)[C@@H]1CCCOC1)[NH+]1CCCC1 ZINC000356830573 276569298 /nfs/dbraw/zinc/56/92/98/276569298.db2.gz APUOMQNVYSNGPX-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP C[NH+]1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000226315543 277030848 /nfs/dbraw/zinc/03/08/48/277030848.db2.gz TXMJCBLSJAKBPZ-UHFFFAOYSA-N 2 1 273.424 2.339 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+]([C@H]3C=CCCC3)C2)CC1 ZINC000182888224 277110637 /nfs/dbraw/zinc/11/06/37/277110637.db2.gz OGKSMMCSNXUSRG-DLBZAZTESA-N 2 1 277.456 2.197 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@H+]([C@H]3C=CCCC3)C2)CC1 ZINC000182888224 277110639 /nfs/dbraw/zinc/11/06/39/277110639.db2.gz OGKSMMCSNXUSRG-DLBZAZTESA-N 2 1 277.456 2.197 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093215086 277152148 /nfs/dbraw/zinc/15/21/48/277152148.db2.gz YBEWXQYAGHLMNT-OCCSQVGLSA-N 3 1 253.434 2.109 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@H]2CCC=CO2)C1 ZINC000377839289 277157570 /nfs/dbraw/zinc/15/75/70/277157570.db2.gz HXCJSCHHOXWFOW-RBSFLKMASA-N 2 1 250.386 2.095 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@H]2CCC=CO2)C1 ZINC000377839289 277157572 /nfs/dbraw/zinc/15/75/72/277157572.db2.gz HXCJSCHHOXWFOW-RBSFLKMASA-N 2 1 250.386 2.095 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C[C@H]2CCC=CO2)C1 ZINC000377839289 277157573 /nfs/dbraw/zinc/15/75/73/277157573.db2.gz HXCJSCHHOXWFOW-RBSFLKMASA-N 2 1 250.386 2.095 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSCCS2)[C@H]2CCC[C@@H]21 ZINC000367602421 277171886 /nfs/dbraw/zinc/17/18/86/277171886.db2.gz STBASPOZALRZJB-MQYQWHSLSA-N 2 1 286.510 2.297 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000341915157 277286623 /nfs/dbraw/zinc/28/66/23/277286623.db2.gz XVHFLCMKFLKEBW-VQJWOFKYSA-N 2 1 254.418 2.120 20 0 CEADMP CC(C)=CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371294877 277324976 /nfs/dbraw/zinc/32/49/76/277324976.db2.gz NMQYRIYQEMYXNJ-RBSFLKMASA-N 2 1 252.402 2.136 20 0 CEADMP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000308337391 277759366 /nfs/dbraw/zinc/75/93/66/277759366.db2.gz FBHARHCJDPIIDI-CABCVRRESA-N 2 1 264.413 2.160 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000353483414 278003210 /nfs/dbraw/zinc/00/32/10/278003210.db2.gz WRBZEITZDDQWBM-VIQHNZTISA-N 2 1 282.472 2.303 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000157806812 278025293 /nfs/dbraw/zinc/02/52/93/278025293.db2.gz ZLYCIHFMHAOXSV-GDBMZVCRSA-N 3 1 288.439 2.123 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1C ZINC000157806812 278025294 /nfs/dbraw/zinc/02/52/94/278025294.db2.gz ZLYCIHFMHAOXSV-GDBMZVCRSA-N 3 1 288.439 2.123 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000364810999 278125825 /nfs/dbraw/zinc/12/58/25/278125825.db2.gz ZGLFCJWLFQCOMV-QLFBSQMISA-N 2 1 298.496 2.361 20 0 CEADMP C[C@H](O)C[C@H]1CCCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336810780 278298154 /nfs/dbraw/zinc/29/81/54/278298154.db2.gz JIFFWZDKFVNLAQ-HRCADAONSA-N 2 1 268.445 2.486 20 0 CEADMP C[C@H](O)C[C@H]1CCCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000336810780 278298155 /nfs/dbraw/zinc/29/81/55/278298155.db2.gz JIFFWZDKFVNLAQ-HRCADAONSA-N 2 1 268.445 2.486 20 0 CEADMP C[C@H](O)C[C@H]1CCCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000336810780 278298157 /nfs/dbraw/zinc/29/81/57/278298157.db2.gz JIFFWZDKFVNLAQ-HRCADAONSA-N 2 1 268.445 2.486 20 0 CEADMP CC1(C)C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C(C)(C)O1 ZINC000305112223 278388319 /nfs/dbraw/zinc/38/83/19/278388319.db2.gz GLIXUQSPFYPGBZ-GJZGRUSLSA-N 2 1 298.471 2.159 20 0 CEADMP CC[NH+](CC)CCC[N@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000338395207 279092822 /nfs/dbraw/zinc/09/28/22/279092822.db2.gz ZSGNMIZGVNQJTF-INIZCTEOSA-N 2 1 291.439 2.267 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000338395207 279092824 /nfs/dbraw/zinc/09/28/24/279092824.db2.gz ZSGNMIZGVNQJTF-INIZCTEOSA-N 2 1 291.439 2.267 20 0 CEADMP CC[NH+](CC)CCCN1CCC[N@@H+](CC(C)C)CC1 ZINC000365050944 279094769 /nfs/dbraw/zinc/09/47/69/279094769.db2.gz YPOBZVZTIJNEKU-UHFFFAOYSA-N 2 1 269.477 2.382 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400407685 279101479 /nfs/dbraw/zinc/10/14/79/279101479.db2.gz RZQPQBVNAOKXLP-KKUMJFAQSA-N 2 1 255.450 2.227 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000221585209 288101695 /nfs/dbraw/zinc/10/16/95/288101695.db2.gz VUOZQBHPLIFLRR-RDBSUJKOSA-N 2 1 256.434 2.103 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC(C)(C)C2)CC1 ZINC000361468094 279259486 /nfs/dbraw/zinc/25/94/86/279259486.db2.gz FJYHKSRQAIWLRD-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH3+])CC[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000414818540 279399678 /nfs/dbraw/zinc/39/96/78/279399678.db2.gz FJQXMCRVBOIIDT-UWVGGRQHSA-N 2 1 253.415 2.095 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCOC1 ZINC000119711370 280184418 /nfs/dbraw/zinc/18/44/18/280184418.db2.gz AMDWQVUWAOHFPH-IUODEOHRSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCOCC1 ZINC000359666108 280184531 /nfs/dbraw/zinc/18/45/31/280184531.db2.gz VNOSMORQFODICR-MRXNPFEDSA-N 2 1 266.429 2.408 20 0 CEADMP CCOC(=O)CCCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000245434692 280239829 /nfs/dbraw/zinc/23/98/29/280239829.db2.gz PXUNYJWIDWHOAG-LSDHHAIUSA-N 2 1 284.444 2.382 20 0 CEADMP CCOC(=O)CCCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245434692 280239832 /nfs/dbraw/zinc/23/98/32/280239832.db2.gz PXUNYJWIDWHOAG-LSDHHAIUSA-N 2 1 284.444 2.382 20 0 CEADMP CCOC(=O)CCCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245434692 280239835 /nfs/dbraw/zinc/23/98/35/280239835.db2.gz PXUNYJWIDWHOAG-LSDHHAIUSA-N 2 1 284.444 2.382 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1C[NH+](CC)C[C@@H]1C ZINC000344412963 280254451 /nfs/dbraw/zinc/25/44/51/280254451.db2.gz UOKZHBFIRVCAPS-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1C[NH+](CC)C[C@@H]1C ZINC000344412963 280254454 /nfs/dbraw/zinc/25/44/54/280254454.db2.gz UOKZHBFIRVCAPS-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000344412963 280254455 /nfs/dbraw/zinc/25/44/55/280254455.db2.gz UOKZHBFIRVCAPS-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000344412963 280254460 /nfs/dbraw/zinc/25/44/60/280254460.db2.gz UOKZHBFIRVCAPS-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCC1 ZINC000127789446 280255909 /nfs/dbraw/zinc/25/59/09/280255909.db2.gz HQVHSHGKGJRNFY-BBWFWOEESA-N 2 1 279.472 2.323 20 0 CEADMP CC1CC[NH+](CCN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246660717 280305570 /nfs/dbraw/zinc/30/55/70/280305570.db2.gz LRAFPQCOAUEEMU-JKSUJKDBSA-N 2 1 267.461 2.133 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2c(C)noc2C)[C@@H](C)C1 ZINC000246952133 280315583 /nfs/dbraw/zinc/31/55/83/280315583.db2.gz IELAFRPPYXOTEN-HZMBPMFUSA-N 2 1 251.374 2.111 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH+](CC)C[C@H]1C ZINC000247125453 280321104 /nfs/dbraw/zinc/32/11/04/280321104.db2.gz VAMZLGNWBVMOFZ-ILXRZTDVSA-N 2 1 255.450 2.037 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000247125453 280321105 /nfs/dbraw/zinc/32/11/05/280321105.db2.gz VAMZLGNWBVMOFZ-ILXRZTDVSA-N 2 1 255.450 2.037 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247125453 280321106 /nfs/dbraw/zinc/32/11/06/280321106.db2.gz VAMZLGNWBVMOFZ-ILXRZTDVSA-N 2 1 255.450 2.037 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H](C(C)C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000247143424 280321434 /nfs/dbraw/zinc/32/14/34/280321434.db2.gz SLKNTWLGYXHWEM-YESZJQIVSA-N 3 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H](C)[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000247180886 280322676 /nfs/dbraw/zinc/32/26/76/280322676.db2.gz VFVSPFUHPYAQSW-QAETUUGQSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H](C)[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000247180886 280322669 /nfs/dbraw/zinc/32/26/69/280322669.db2.gz VFVSPFUHPYAQSW-QAETUUGQSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000247180886 280322673 /nfs/dbraw/zinc/32/26/73/280322673.db2.gz VFVSPFUHPYAQSW-QAETUUGQSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000248031197 280341965 /nfs/dbraw/zinc/34/19/65/280341965.db2.gz QKZBYQDYRVSDDQ-WMLDXEAASA-N 2 1 292.423 2.394 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000248441450 280346971 /nfs/dbraw/zinc/34/69/71/280346971.db2.gz ABBGBJBYBKZLCF-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2N)CC1 ZINC000422837765 280931576 /nfs/dbraw/zinc/93/15/76/280931576.db2.gz MRLWFIOONCBXGN-CVEARBPZSA-N 2 1 267.461 2.214 20 0 CEADMP COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422880236 280946762 /nfs/dbraw/zinc/94/67/62/280946762.db2.gz WOGCIROAKJLWEP-RRFJBIMHSA-N 2 1 289.423 2.004 20 0 CEADMP CCn1cc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000422913561 280961929 /nfs/dbraw/zinc/96/19/29/280961929.db2.gz QFJFYLFLSKOBHX-HIFRSBDPSA-N 2 1 264.417 2.303 20 0 CEADMP COC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000422920021 280965927 /nfs/dbraw/zinc/96/59/27/280965927.db2.gz LHXMGROZDBWXTE-ZLDLUXBVSA-N 2 1 266.360 2.101 20 0 CEADMP COC1CCC(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423037633 281004285 /nfs/dbraw/zinc/00/42/85/281004285.db2.gz NFFLHWBEGNERHZ-PPWQZUPISA-N 2 1 254.418 2.169 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000423057703 281013103 /nfs/dbraw/zinc/01/31/03/281013103.db2.gz ZSCGKSUQEFBOFX-CABCVRRESA-N 3 1 255.450 2.358 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000423330552 281023652 /nfs/dbraw/zinc/02/36/52/281023652.db2.gz CDDQGBIUITXARK-APHBMKBZSA-N 2 1 287.407 2.063 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423383431 281027750 /nfs/dbraw/zinc/02/77/50/281027750.db2.gz FBWPXFOLXSQSMY-GLQYFDAESA-N 2 1 282.815 2.367 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423426719 281038710 /nfs/dbraw/zinc/03/87/10/281038710.db2.gz HVYNNMOQNXFUGR-JKSUJKDBSA-N 2 1 295.471 2.084 20 0 CEADMP Cc1ccc2c(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cc(=O)oc2c1 ZINC000216069673 281046674 /nfs/dbraw/zinc/04/66/74/281046674.db2.gz KRNDHBUOCZACKE-QWHCGFSZSA-N 2 1 286.375 2.271 20 0 CEADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423516148 281060657 /nfs/dbraw/zinc/06/06/57/281060657.db2.gz NMHQNQBMACAUBY-MSOLQXFVSA-N 2 1 289.467 2.137 20 0 CEADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000423529186 281063078 /nfs/dbraw/zinc/06/30/78/281063078.db2.gz XFCPQZSUDDLBHA-ZWKOTPCHSA-N 2 1 287.451 2.411 20 0 CEADMP COc1ccc(OC)c([C@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000423531540 281064364 /nfs/dbraw/zinc/06/43/64/281064364.db2.gz STMGXXFELMFXGY-LBPRGKRZSA-N 2 1 278.396 2.497 20 0 CEADMP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[C@@H](C)[NH3+] ZINC000423729111 281084592 /nfs/dbraw/zinc/08/45/92/281084592.db2.gz NRJYIDQABMKNNV-ZBFHGGJFSA-N 2 1 297.487 2.329 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000423770289 281088911 /nfs/dbraw/zinc/08/89/11/281088911.db2.gz ZWHYBDSMWNHWPT-UHFFFAOYSA-N 2 1 297.487 2.474 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CCC1CC[NH2+]CC1 ZINC000423772482 281090979 /nfs/dbraw/zinc/09/09/79/281090979.db2.gz LFEIRULGRSQUAF-AWEZNQCLSA-N 2 1 283.460 2.003 20 0 CEADMP C[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424161329 281126132 /nfs/dbraw/zinc/12/61/32/281126132.db2.gz VRIMSAXBASVTLH-CVEARBPZSA-N 2 1 295.471 2.275 20 0 CEADMP C[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424161332 281126160 /nfs/dbraw/zinc/12/61/60/281126160.db2.gz VRIMSAXBASVTLH-HOTGVXAUSA-N 2 1 295.471 2.275 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](C2CCC2)C2CCCCC2)C1 ZINC000424278288 281143236 /nfs/dbraw/zinc/14/32/36/281143236.db2.gz IBTUUHLGOYQGCH-DLBZAZTESA-N 2 1 280.456 2.392 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](C2CCC2)C2CCCCC2)C1 ZINC000424278288 281143237 /nfs/dbraw/zinc/14/32/37/281143237.db2.gz IBTUUHLGOYQGCH-DLBZAZTESA-N 2 1 280.456 2.392 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCc2ccncc2)CC1 ZINC000429540811 281241503 /nfs/dbraw/zinc/24/15/03/281241503.db2.gz UDSGVBQPCROOQI-MRXNPFEDSA-N 2 1 261.413 2.430 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000430810984 281278145 /nfs/dbraw/zinc/27/81/45/281278145.db2.gz XLMNXASWVXYGTL-CABCVRRESA-N 2 1 283.460 2.132 20 0 CEADMP C[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)C[NH+]1CCCC1 ZINC000431727886 281315070 /nfs/dbraw/zinc/31/50/70/281315070.db2.gz LWEDRMAWKBDQDO-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+](Cc1cc(C(=O)OC)co1)[C@@H]1CCC[NH2+]CC1 ZINC000435396604 281388303 /nfs/dbraw/zinc/38/83/03/281388303.db2.gz ZLYZLEUKWUAANV-CYBMUJFWSA-N 2 1 280.368 2.030 20 0 CEADMP CC[N@@H+](Cc1cc(C(=O)OC)co1)[C@@H]1CCC[NH2+]CC1 ZINC000435396604 281388305 /nfs/dbraw/zinc/38/83/05/281388305.db2.gz ZLYZLEUKWUAANV-CYBMUJFWSA-N 2 1 280.368 2.030 20 0 CEADMP Cc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)ccc1-n1cncn1 ZINC000435439246 281390207 /nfs/dbraw/zinc/39/02/07/281390207.db2.gz UIQNWMARPKUJDK-INIZCTEOSA-N 2 1 299.422 2.150 20 0 CEADMP CCc1ncc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cn1 ZINC000414439093 288638741 /nfs/dbraw/zinc/63/87/41/288638741.db2.gz WEAIQOSWZSIGBJ-UHFFFAOYSA-N 2 1 276.428 2.251 20 0 CEADMP CC[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000151680505 289063837 /nfs/dbraw/zinc/06/38/37/289063837.db2.gz RPOVZHMSCGOYDK-CAOSSQGBSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000152914812 289100966 /nfs/dbraw/zinc/10/09/66/289100966.db2.gz JRIDWTSQUFJALL-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP CCCn1c(C)nnc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000154461703 289145940 /nfs/dbraw/zinc/14/59/40/289145940.db2.gz XZRXRDBFUAFUBQ-UHFFFAOYSA-N 2 1 293.459 2.160 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000157724101 289219945 /nfs/dbraw/zinc/21/99/45/289219945.db2.gz IBAOWGQNCDIQNR-MRFVTOPCSA-N 2 1 297.443 2.114 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000157724101 289219949 /nfs/dbraw/zinc/21/99/49/289219949.db2.gz IBAOWGQNCDIQNR-MRFVTOPCSA-N 2 1 297.443 2.114 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1C[C@H]2CCCCN2C1=O ZINC000415096748 289729237 /nfs/dbraw/zinc/72/92/37/289729237.db2.gz QNNHHFDJGGZQMN-QXSJWSMHSA-N 2 1 293.455 2.040 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CCn2cc(Cl)cn2)C1 ZINC000459360488 290126271 /nfs/dbraw/zinc/12/62/71/290126271.db2.gz OKDYNGHDIQZDTM-AWEZNQCLSA-N 2 1 296.846 2.200 20 0 CEADMP Cn1cncc1CC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000459379700 290131594 /nfs/dbraw/zinc/13/15/94/290131594.db2.gz ANMIXCHRCBEVSN-HNNXBMFYSA-N 2 1 256.353 2.195 20 0 CEADMP CCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1nnc2ccccn21 ZINC000459405183 290138910 /nfs/dbraw/zinc/13/89/10/290138910.db2.gz NFNRPANFDSMIPD-AWEZNQCLSA-N 2 1 298.394 2.136 20 0 CEADMP CO[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000459428184 290146078 /nfs/dbraw/zinc/14/60/78/290146078.db2.gz PEXPQCGCMPPQKZ-AWEZNQCLSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1OCCc2sccc21 ZINC000459491957 290163323 /nfs/dbraw/zinc/16/33/23/290163323.db2.gz NAPFBQJPNIZJOE-ABAIWWIYSA-N 2 1 291.420 2.316 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000459527610 290171256 /nfs/dbraw/zinc/17/12/56/290171256.db2.gz KLVLRXKWIUCROO-CQSZACIVSA-N 2 1 293.436 2.374 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000459559136 290179707 /nfs/dbraw/zinc/17/97/07/290179707.db2.gz HNUSSBXAVLLYTP-CQSZACIVSA-N 2 1 267.461 2.323 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1SC ZINC000459565132 290181476 /nfs/dbraw/zinc/18/14/76/290181476.db2.gz FZUIVTPOHPTAQW-BJDRPPBWSA-N 2 1 284.469 2.110 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000459716009 290216012 /nfs/dbraw/zinc/21/60/12/290216012.db2.gz ZBKLOAGZQJDXRO-XHSDSOJGSA-N 2 1 286.419 2.379 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSCCS2)[C@@H]2CCC[C@H]21 ZINC000367602424 290219698 /nfs/dbraw/zinc/21/96/98/290219698.db2.gz STBASPOZALRZJB-ZOBORPQBSA-N 2 1 286.510 2.297 20 0 CEADMP COC(=O)c1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)oc1C ZINC000459733227 290220658 /nfs/dbraw/zinc/22/06/58/290220658.db2.gz NFYXOXTWHHDCKE-ZDUSSCGKSA-N 2 1 294.395 2.196 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459739658 290222946 /nfs/dbraw/zinc/22/29/46/290222946.db2.gz TWBHCQUKOGXTBC-CQSZACIVSA-N 2 1 292.471 2.366 20 0 CEADMP CC(C)OC1CC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459787674 290240186 /nfs/dbraw/zinc/24/01/86/290240186.db2.gz PSJTZUPWFZLOEM-WLYUNCDWSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000459799726 290244489 /nfs/dbraw/zinc/24/44/89/290244489.db2.gz ZATFTGJCXPKUOY-JYJNAYRXSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC000459799726 290244490 /nfs/dbraw/zinc/24/44/90/290244490.db2.gz ZATFTGJCXPKUOY-JYJNAYRXSA-N 3 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000459799728 290244756 /nfs/dbraw/zinc/24/47/56/290244756.db2.gz ZATFTGJCXPKUOY-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC000459799728 290244760 /nfs/dbraw/zinc/24/47/60/290244760.db2.gz ZATFTGJCXPKUOY-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+]C[C@H]2CCSC2)C[C@H](C)O1 ZINC000486936975 290321962 /nfs/dbraw/zinc/32/19/62/290321962.db2.gz KNHOYOKCKPCINB-QLFBSQMISA-N 2 1 286.485 2.219 20 0 CEADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC1CCCCCC1 ZINC000262006817 295226711 /nfs/dbraw/zinc/22/67/11/295226711.db2.gz LWKSHVCVJUPTIO-MRXNPFEDSA-N 2 1 295.471 2.276 20 0 CEADMP N[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc21 ZINC000333886620 295325748 /nfs/dbraw/zinc/32/57/48/295325748.db2.gz XIMUGYJFJXGUCZ-USXSHJJOSA-N 2 1 271.408 2.109 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000530177527 298045911 /nfs/dbraw/zinc/04/59/11/298045911.db2.gz JSXLCJUTCVSCAV-NVXWUHKLSA-N 2 1 286.419 2.427 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000530213085 298051185 /nfs/dbraw/zinc/05/11/85/298051185.db2.gz UAGKUCUVIPKKEL-APHBMKBZSA-N 2 1 280.387 2.052 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1(C)C ZINC000530216505 298052449 /nfs/dbraw/zinc/05/24/49/298052449.db2.gz PUVWRSJULBDLBR-MGPQQGTHSA-N 2 1 266.429 2.453 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H](Cc2ccc(F)cc2)OC)CC[C@H]1[NH3+] ZINC000530217951 298053963 /nfs/dbraw/zinc/05/39/63/298053963.db2.gz JNZVPTQOHKEKAE-HYVNUMGLSA-N 2 1 294.414 2.442 20 0 CEADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000530354817 298065698 /nfs/dbraw/zinc/06/56/98/298065698.db2.gz IQOKLBGXXGHGNX-LRDDRELGSA-N 2 1 255.365 2.486 20 0 CEADMP Cc1[nH+]c2ccccc2c(NCC[N@@H+]2CCO[C@@H](C)C2)c1C ZINC000543136293 298302804 /nfs/dbraw/zinc/30/28/04/298302804.db2.gz QCGXHODNDSQGHP-ZDUSSCGKSA-N 2 1 299.418 2.406 20 0 CEADMP Cc1[nH+]c2ccccc2c(NCC[N@H+]2CCO[C@@H](C)C2)c1C ZINC000543136293 298302808 /nfs/dbraw/zinc/30/28/08/298302808.db2.gz QCGXHODNDSQGHP-ZDUSSCGKSA-N 2 1 299.418 2.406 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000567314933 299051326 /nfs/dbraw/zinc/05/13/26/299051326.db2.gz DXORYKNOOBIYGK-ARFHVFGLSA-N 2 1 270.461 2.494 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000567330357 299052926 /nfs/dbraw/zinc/05/29/26/299052926.db2.gz VZTYZGXERRVMRZ-CQSZACIVSA-N 2 1 299.422 2.293 20 0 CEADMP C[C@H](C[NH2+]Cc1cnc(C2CC2)s1)C[NH+](C)C ZINC000515739909 313076146 /nfs/dbraw/zinc/07/61/46/313076146.db2.gz KMESYTCHSUALBJ-SNVBAGLBSA-N 2 1 253.415 2.308 20 0 CEADMP CC(C)c1ncc2c(n1)CC[N@@H+](CCCc1c[nH+]cn1C)C2 ZINC000527621703 313188632 /nfs/dbraw/zinc/18/86/32/313188632.db2.gz NGMPHWUJZJRFKJ-UHFFFAOYSA-N 2 1 299.422 2.324 20 0 CEADMP CC(C)c1ncc2c(n1)CC[N@H+](CCCc1c[nH+]cn1C)C2 ZINC000527621703 313188637 /nfs/dbraw/zinc/18/86/37/313188637.db2.gz NGMPHWUJZJRFKJ-UHFFFAOYSA-N 2 1 299.422 2.324 20 0 CEADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3COC3)CC2)cc1 ZINC000527816675 313207563 /nfs/dbraw/zinc/20/75/63/313207563.db2.gz BRLHKVLDILSBRB-UHFFFAOYSA-N 2 1 292.398 2.069 20 0 CEADMP CC(C)[NH+]1CCC(NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000528010130 313224664 /nfs/dbraw/zinc/22/46/64/313224664.db2.gz IQDBPHLTJGOUCV-KRWDZBQOSA-N 2 1 279.472 2.466 20 0 CEADMP CCn1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC000535811401 313399288 /nfs/dbraw/zinc/39/92/88/313399288.db2.gz UTTWASCBRAWMAD-UHFFFAOYSA-N 2 1 278.444 2.455 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CO)c1ccccc1C ZINC000542908129 313453396 /nfs/dbraw/zinc/45/33/96/313453396.db2.gz CWVSTVTXQAZUFQ-INIZCTEOSA-N 2 1 273.380 2.213 20 0 CEADMP Cn1ccnc1[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000576594167 314292091 /nfs/dbraw/zinc/29/20/91/314292091.db2.gz LURATPHKFMKNKR-LSDHHAIUSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1ccnc1[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000576594167 314292096 /nfs/dbraw/zinc/29/20/96/314292096.db2.gz LURATPHKFMKNKR-LSDHHAIUSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1ccnc1[C@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000576594167 314292098 /nfs/dbraw/zinc/29/20/98/314292098.db2.gz LURATPHKFMKNKR-LSDHHAIUSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000576766214 314309192 /nfs/dbraw/zinc/30/91/92/314309192.db2.gz SPDLGIZSUWSSSQ-INIZCTEOSA-N 2 1 277.412 2.244 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000576766214 314309195 /nfs/dbraw/zinc/30/91/95/314309195.db2.gz SPDLGIZSUWSSSQ-INIZCTEOSA-N 2 1 277.412 2.244 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000576866646 314317758 /nfs/dbraw/zinc/31/77/58/314317758.db2.gz FMWQVXGKELGKAP-TUAOUCFPSA-N 2 1 282.350 2.415 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000576866646 314317762 /nfs/dbraw/zinc/31/77/62/314317762.db2.gz FMWQVXGKELGKAP-TUAOUCFPSA-N 2 1 282.350 2.415 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000577059547 314337054 /nfs/dbraw/zinc/33/70/54/314337054.db2.gz WVAXERRUOWUCFD-XHSDSOJGSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000577059547 314337057 /nfs/dbraw/zinc/33/70/57/314337057.db2.gz WVAXERRUOWUCFD-XHSDSOJGSA-N 2 1 266.429 2.362 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000577558006 314389359 /nfs/dbraw/zinc/38/93/59/314389359.db2.gz UIQWECHVGGCCGD-UHFFFAOYSA-N 2 1 263.385 2.044 20 0 CEADMP C[C@@H](Cc1[nH]cc[nH+]1)OCc1ccc2c(c1)C[NH2+]CC2 ZINC000577615743 314395970 /nfs/dbraw/zinc/39/59/70/314395970.db2.gz XYAZRWDZLOMKDB-LBPRGKRZSA-N 2 1 271.364 2.203 20 0 CEADMP C[C@H](CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000577865677 314422552 /nfs/dbraw/zinc/42/25/52/314422552.db2.gz JWSMQTGADZZIJO-QLFBSQMISA-N 3 1 253.434 2.110 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1scnc1C1CC1 ZINC000580341927 322312433 /nfs/dbraw/zinc/31/24/33/322312433.db2.gz NPGCBGHYKUVFSS-ONGXEEELSA-N 2 1 251.399 2.332 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1scnc1C1CC1 ZINC000580341927 322312434 /nfs/dbraw/zinc/31/24/34/322312434.db2.gz NPGCBGHYKUVFSS-ONGXEEELSA-N 2 1 251.399 2.332 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000580511698 322322098 /nfs/dbraw/zinc/32/20/98/322322098.db2.gz XNOFDUDSROIXKF-GOEBONIOSA-N 2 1 294.439 2.391 20 0 CEADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H](C)c1cccc(OC)c1 ZINC000580511698 322322094 /nfs/dbraw/zinc/32/20/94/322322094.db2.gz XNOFDUDSROIXKF-GOEBONIOSA-N 2 1 294.439 2.391 20 0 CEADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H](C)c1cccc(OC)c1 ZINC000580511698 322322095 /nfs/dbraw/zinc/32/20/95/322322095.db2.gz XNOFDUDSROIXKF-GOEBONIOSA-N 2 1 294.439 2.391 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000580511698 322322096 /nfs/dbraw/zinc/32/20/96/322322096.db2.gz XNOFDUDSROIXKF-GOEBONIOSA-N 2 1 294.439 2.391 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)C(F)(F)F ZINC000580552893 322325550 /nfs/dbraw/zinc/32/55/50/322325550.db2.gz GMFUJAQNJAIWNQ-NEPJUHHUSA-N 2 1 282.350 2.154 20 0 CEADMP CC(C)C1CCC([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000580553769 322325948 /nfs/dbraw/zinc/32/59/48/322325948.db2.gz DZILUSNPZHRORG-ZBCRRDGASA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)C1CCC([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000580553769 322325951 /nfs/dbraw/zinc/32/59/51/322325951.db2.gz DZILUSNPZHRORG-ZBCRRDGASA-N 2 1 268.445 2.246 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000580899805 322352924 /nfs/dbraw/zinc/35/29/24/322352924.db2.gz BTTGPGDRZBSFJA-DGCLKSJQSA-N 2 1 293.386 2.274 20 0 CEADMP COCC[NH2+]C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000584176370 327058845 /nfs/dbraw/zinc/05/88/45/327058845.db2.gz GPKSOHLIYAQIGS-UHFFFAOYSA-N 2 1 262.397 2.195 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000151142621 519861977 /nfs/dbraw/zinc/86/19/77/519861977.db2.gz MADBHIRPBLSINN-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H](COC)C1 ZINC000365189206 520603635 /nfs/dbraw/zinc/60/36/35/520603635.db2.gz AKMZMGBEVLAJEC-OAHLLOKOSA-N 2 1 256.434 2.467 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000156682181 519715521 /nfs/dbraw/zinc/71/55/21/519715521.db2.gz MAMBYTJQGKNSRP-MRXNPFEDSA-N 2 1 277.412 2.450 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000182518665 519719202 /nfs/dbraw/zinc/71/92/02/519719202.db2.gz BVWYHKKELCWIQE-SFHVURJKSA-N 2 1 290.451 2.443 20 0 CEADMP CC(C)n1cncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157537887 520054815 /nfs/dbraw/zinc/05/48/15/520054815.db2.gz OBLHDIBIGIOQIY-UONOGXRCSA-N 2 1 262.401 2.180 20 0 CEADMP CC(C)n1cncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157537887 520054824 /nfs/dbraw/zinc/05/48/24/520054824.db2.gz OBLHDIBIGIOQIY-UONOGXRCSA-N 2 1 262.401 2.180 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1O ZINC000411434444 534474330 /nfs/dbraw/zinc/47/43/30/534474330.db2.gz BWKJPSRIPFVLIJ-CRAIPNDOSA-N 2 1 288.435 2.485 20 0 CEADMP CC1(C[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)COC1 ZINC000370566875 520734236 /nfs/dbraw/zinc/73/42/36/520734236.db2.gz BRSQTMSCYRJKMB-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP CCCCOCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157355603 520762906 /nfs/dbraw/zinc/76/29/06/520762906.db2.gz RPBOZRRHWXZDPA-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP CCCCOCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157355603 520762915 /nfs/dbraw/zinc/76/29/15/520762915.db2.gz RPBOZRRHWXZDPA-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP c1ncc(CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000411318865 534541599 /nfs/dbraw/zinc/54/15/99/534541599.db2.gz ZPTUYOFYHIHSGW-CQSZACIVSA-N 2 1 279.453 2.493 20 0 CEADMP c1ncc(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000411318865 534541606 /nfs/dbraw/zinc/54/16/06/534541606.db2.gz ZPTUYOFYHIHSGW-CQSZACIVSA-N 2 1 279.453 2.493 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000357091057 534636348 /nfs/dbraw/zinc/63/63/48/534636348.db2.gz VTQLSSUSNOUWRT-INIZCTEOSA-N 2 1 262.397 2.059 20 0 CEADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCCCO1 ZINC000050953257 522726987 /nfs/dbraw/zinc/72/69/87/522726987.db2.gz OQFZPGRAHRSBHO-HNNXBMFYSA-N 2 1 254.418 2.267 20 0 CEADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363786238 523491226 /nfs/dbraw/zinc/49/12/26/523491226.db2.gz QTCKIKNLOFEIKW-LUKYLMHMSA-N 2 1 298.471 2.281 20 0 CEADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363786238 523491235 /nfs/dbraw/zinc/49/12/35/523491235.db2.gz QTCKIKNLOFEIKW-LUKYLMHMSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000151331254 524562367 /nfs/dbraw/zinc/56/23/67/524562367.db2.gz GCFQTVDPDTYJBK-YJBOKZPZSA-N 2 1 298.434 2.361 20 0 CEADMP Cc1cccc(NC2CCN(CC[NH2+]C(C)C)CC2)[nH+]1 ZINC000377074465 524669665 /nfs/dbraw/zinc/66/96/65/524669665.db2.gz TZEFPAMGCIERMT-UHFFFAOYSA-N 2 1 276.428 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)CC[N@@H+]1C ZINC000365156087 525448663 /nfs/dbraw/zinc/44/86/63/525448663.db2.gz LPFMYANBYZQKLR-IIVZCXTMSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)CC[N@H+]1C ZINC000365156087 525448665 /nfs/dbraw/zinc/44/86/65/525448665.db2.gz LPFMYANBYZQKLR-IIVZCXTMSA-N 2 1 288.435 2.355 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c(C)s1 ZINC000049506945 525520170 /nfs/dbraw/zinc/52/01/70/525520170.db2.gz YXDWXGAVTBOHCX-JSGCOSHPSA-N 2 1 282.453 2.472 20 0 CEADMP C(C[NH2+]C1CC[NH+](C2CC2)CC1)C[C@@H]1CCOC1 ZINC000402382735 527484822 /nfs/dbraw/zinc/48/48/22/527484822.db2.gz NYAPOROMCUVZBB-CYBMUJFWSA-N 2 1 252.402 2.020 20 0 CEADMP Cn1nccc1[C@@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000363459194 527625580 /nfs/dbraw/zinc/62/55/80/527625580.db2.gz IDMSWWNZOBJEHE-OAHLLOKOSA-N 2 1 276.428 2.085 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000368974465 527683438 /nfs/dbraw/zinc/68/34/38/527683438.db2.gz PKUMBULFKVPLDL-BRSBDYLESA-N 2 1 292.467 2.344 20 0 CEADMP O[C@H](CC1CCCC1)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000368974465 527683441 /nfs/dbraw/zinc/68/34/41/527683441.db2.gz PKUMBULFKVPLDL-BRSBDYLESA-N 2 1 292.467 2.344 20 0 CEADMP O[C@H](CC1CCCC1)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000368974465 527683445 /nfs/dbraw/zinc/68/34/45/527683445.db2.gz PKUMBULFKVPLDL-BRSBDYLESA-N 2 1 292.467 2.344 20 0 CEADMP CC[N@@H+]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000357845855 527989524 /nfs/dbraw/zinc/98/95/24/527989524.db2.gz HLLAXDCWOLWRTI-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000357845855 527989526 /nfs/dbraw/zinc/98/95/26/527989526.db2.gz HLLAXDCWOLWRTI-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccoc1C ZINC000414455274 528085362 /nfs/dbraw/zinc/08/53/62/528085362.db2.gz PEVHURXKUYPRMP-UHFFFAOYSA-N 2 1 293.455 2.438 20 0 CEADMP CCCNC(=O)CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000411316412 528361034 /nfs/dbraw/zinc/36/10/34/528361034.db2.gz WOVHYYLUZLWBIZ-MRXNPFEDSA-N 2 1 295.471 2.101 20 0 CEADMP CCCC[N@@H+](CCCO)CCC[NH+]1CCCCC1 ZINC000162445556 528417810 /nfs/dbraw/zinc/41/78/10/528417810.db2.gz VKZSJDKQFQXVAD-UHFFFAOYSA-N 2 1 256.434 2.347 20 0 CEADMP CCCCNC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116397456 528524046 /nfs/dbraw/zinc/52/40/46/528524046.db2.gz IVJQXECHCLZFPT-KGLIPLIRSA-N 2 1 285.476 2.247 20 0 CEADMP CCCCNC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116397463 528538827 /nfs/dbraw/zinc/53/88/27/528538827.db2.gz IVJQXECHCLZFPT-UONOGXRCSA-N 2 1 285.476 2.247 20 0 CEADMP CCCC[C@@H](C[NH3+])NC(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000417692671 528808312 /nfs/dbraw/zinc/80/83/12/528808312.db2.gz AOLCDPNMVYNJGJ-LSDHHAIUSA-N 2 1 298.475 2.068 20 0 CEADMP CC(C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000414342248 529144800 /nfs/dbraw/zinc/14/48/00/529144800.db2.gz MCSGFCFCRTUSTC-CQSZACIVSA-N 2 1 295.471 2.286 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000051627820 529178543 /nfs/dbraw/zinc/17/85/43/529178543.db2.gz FGMYATMKKUZRAK-JKSUJKDBSA-N 2 1 262.397 2.184 20 0 CEADMP COc1ccccc1/C=C/C[NH2+]C1CC[NH+](C)CC1 ZINC000237296835 536980613 /nfs/dbraw/zinc/98/06/13/536980613.db2.gz KWQRQPWROACTDP-FNORWQNLSA-N 2 1 260.381 2.392 20 0 CEADMP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000305461379 574431638 /nfs/dbraw/zinc/43/16/38/574431638.db2.gz VQWAVPHAYXZGJF-BZUAXINKSA-N 2 1 266.429 2.098 20 0 CEADMP c1nc(C2CC2)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000335352613 574469532 /nfs/dbraw/zinc/46/95/32/574469532.db2.gz FHEFVVQRNYKHKY-RYUDHWBXSA-N 2 1 263.410 2.062 20 0 CEADMP c1nc(C2CC2)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000335352613 574469533 /nfs/dbraw/zinc/46/95/33/574469533.db2.gz FHEFVVQRNYKHKY-RYUDHWBXSA-N 2 1 263.410 2.062 20 0 CEADMP CCC[NH+]1CCC(Nc2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000733183880 574654390 /nfs/dbraw/zinc/65/43/90/574654390.db2.gz FZXOAUPUVWLWPB-UHFFFAOYSA-N 2 1 289.427 2.363 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741708371 574994727 /nfs/dbraw/zinc/99/47/27/574994727.db2.gz LAAHEMQTQUUYLZ-JKSUJKDBSA-N 2 1 297.487 2.440 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741708371 574994729 /nfs/dbraw/zinc/99/47/29/574994729.db2.gz LAAHEMQTQUUYLZ-JKSUJKDBSA-N 2 1 297.487 2.440 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000741708371 574994730 /nfs/dbraw/zinc/99/47/30/574994730.db2.gz LAAHEMQTQUUYLZ-JKSUJKDBSA-N 2 1 297.487 2.440 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCCCCCO)CC[N@@H+]1C ZINC000744405005 575120652 /nfs/dbraw/zinc/12/06/52/575120652.db2.gz IPGHNKIATSZDRQ-HUUCEWRRSA-N 2 1 256.434 2.344 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCCCCCO)CC[N@H+]1C ZINC000744405005 575120653 /nfs/dbraw/zinc/12/06/53/575120653.db2.gz IPGHNKIATSZDRQ-HUUCEWRRSA-N 2 1 256.434 2.344 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCCCCCCO)CC[NH+]1C ZINC000744405005 575120654 /nfs/dbraw/zinc/12/06/54/575120654.db2.gz IPGHNKIATSZDRQ-HUUCEWRRSA-N 2 1 256.434 2.344 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCCCCCCO)CC[NH+]1C ZINC000744405005 575120656 /nfs/dbraw/zinc/12/06/56/575120656.db2.gz IPGHNKIATSZDRQ-HUUCEWRRSA-N 2 1 256.434 2.344 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC000747532434 575171635 /nfs/dbraw/zinc/17/16/35/575171635.db2.gz XUFVVGPFCRTRPG-SCXUMTSISA-N 2 1 260.809 2.172 20 0 CEADMP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000751776982 575297751 /nfs/dbraw/zinc/29/77/51/575297751.db2.gz OUVZVOQHZQHTPA-KBAYOESNSA-N 2 1 288.435 2.321 20 0 CEADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000751776982 575297752 /nfs/dbraw/zinc/29/77/52/575297752.db2.gz OUVZVOQHZQHTPA-KBAYOESNSA-N 2 1 288.435 2.321 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)[C@@H](C)C1 ZINC000753371087 575324635 /nfs/dbraw/zinc/32/46/35/575324635.db2.gz KLFGWGTVADJNPU-GOEBONIOSA-N 2 1 299.422 2.087 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)[C@@H](C)C1 ZINC000753371087 575324638 /nfs/dbraw/zinc/32/46/38/575324638.db2.gz KLFGWGTVADJNPU-GOEBONIOSA-N 2 1 299.422 2.087 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CS[C@@H](C(C)C)C1)C[NH+](C)C ZINC000896880019 630699057 /nfs/dbraw/zinc/69/90/57/630699057.db2.gz LFBDJWJOWWKPFH-MGPQQGTHSA-N 2 1 274.474 2.073 20 0 CEADMP CC(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980483393 614068652 /nfs/dbraw/zinc/06/86/52/614068652.db2.gz OOXHSXGNWBCMSD-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)C(C)C)C1 ZINC000971843526 614091709 /nfs/dbraw/zinc/09/17/09/614091709.db2.gz JYNRJZTZMJQYMQ-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC000971843526 614091711 /nfs/dbraw/zinc/09/17/11/614091711.db2.gz JYNRJZTZMJQYMQ-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC000971843526 614091713 /nfs/dbraw/zinc/09/17/13/614091713.db2.gz JYNRJZTZMJQYMQ-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948553065 614336072 /nfs/dbraw/zinc/33/60/72/614336072.db2.gz DGHGMWHVQQHUGB-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000948553065 614336074 /nfs/dbraw/zinc/33/60/74/614336074.db2.gz DGHGMWHVQQHUGB-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000948553065 614336076 /nfs/dbraw/zinc/33/60/76/614336076.db2.gz DGHGMWHVQQHUGB-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980491473 614545286 /nfs/dbraw/zinc/54/52/86/614545286.db2.gz VNABBMISCJAREO-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000950063059 614964499 /nfs/dbraw/zinc/96/44/99/614964499.db2.gz CQIBSNUUORAOJF-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000950063059 614964500 /nfs/dbraw/zinc/96/45/00/614964500.db2.gz CQIBSNUUORAOJF-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[N@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC000981370129 614982014 /nfs/dbraw/zinc/98/20/14/614982014.db2.gz WQKHPNCSHPRWDL-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000981370129 614982016 /nfs/dbraw/zinc/98/20/16/614982016.db2.gz WQKHPNCSHPRWDL-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000981370129 614982019 /nfs/dbraw/zinc/98/20/19/614982019.db2.gz WQKHPNCSHPRWDL-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC)CC1(C)C ZINC000941238661 615218874 /nfs/dbraw/zinc/21/88/74/615218874.db2.gz ZKNIUMWPCHUFRC-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941238661 615218876 /nfs/dbraw/zinc/21/88/76/615218876.db2.gz ZKNIUMWPCHUFRC-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941238661 615218878 /nfs/dbraw/zinc/21/88/78/615218878.db2.gz ZKNIUMWPCHUFRC-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975105040 615415824 /nfs/dbraw/zinc/41/58/24/615415824.db2.gz AONSSZZRTKEVFB-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975105040 615415825 /nfs/dbraw/zinc/41/58/25/615415825.db2.gz AONSSZZRTKEVFB-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975105040 615415827 /nfs/dbraw/zinc/41/58/27/615415827.db2.gz AONSSZZRTKEVFB-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1)[NH+](C)C ZINC000971777766 615603459 /nfs/dbraw/zinc/60/34/59/615603459.db2.gz GUHPYMZYMQVNHF-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP OCCCCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000175774210 622847880 /nfs/dbraw/zinc/84/78/80/622847880.db2.gz YKYKZAWKLGJXFL-INIZCTEOSA-N 2 1 268.445 2.489 20 0 CEADMP CN(CC(C)(C)C[NH+](C)C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000890878445 623034876 /nfs/dbraw/zinc/03/48/76/623034876.db2.gz AECRNVHFXHWEGH-UHFFFAOYSA-N 2 1 285.476 2.011 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933372768 623691028 /nfs/dbraw/zinc/69/10/28/623691028.db2.gz LJHPQNMYZWGPFC-CQSZACIVSA-N 2 1 263.385 2.044 20 0 CEADMP C[NH+]1CCC(C[NH+]2CCN(C3CCCCC3)CC2)CC1 ZINC000891571428 623792802 /nfs/dbraw/zinc/79/28/02/623792802.db2.gz RXECCTWBPGXKOO-UHFFFAOYSA-N 2 1 279.472 2.279 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@]1(C)Br)C[C@H]1CCC[NH+](C)C1 ZINC000891670177 623879788 /nfs/dbraw/zinc/87/97/88/623879788.db2.gz HNJPUZRKTJXSKE-AVGNSLFASA-N 2 1 289.261 2.434 20 0 CEADMP C[NH+](C[C@@H]1C[C@]1(C)Br)C[C@H]1CCC[N@H+](C)C1 ZINC000891670177 623879797 /nfs/dbraw/zinc/87/97/97/623879797.db2.gz HNJPUZRKTJXSKE-AVGNSLFASA-N 2 1 289.261 2.434 20 0 CEADMP C[NH+](C[C@@H]1C[C@]1(C)Br)C[C@H]1CCC[N@@H+](C)C1 ZINC000891670177 623879807 /nfs/dbraw/zinc/87/98/07/623879807.db2.gz HNJPUZRKTJXSKE-AVGNSLFASA-N 2 1 289.261 2.434 20 0 CEADMP C[N@@H+](Cc1cccc2c1OCC2)C[C@H]1CCC[NH+](C)C1 ZINC000891669787 623879715 /nfs/dbraw/zinc/87/97/15/623879715.db2.gz FJKNEBQEJYHVMK-AWEZNQCLSA-N 2 1 274.408 2.395 20 0 CEADMP C[N@H+](Cc1cccc2c1OCC2)C[C@H]1CCC[NH+](C)C1 ZINC000891669787 623879728 /nfs/dbraw/zinc/87/97/28/623879728.db2.gz FJKNEBQEJYHVMK-AWEZNQCLSA-N 2 1 274.408 2.395 20 0 CEADMP C[NH+](Cc1cccc2c1OCC2)C[C@H]1CCC[N@H+](C)C1 ZINC000891669787 623879741 /nfs/dbraw/zinc/87/97/41/623879741.db2.gz FJKNEBQEJYHVMK-AWEZNQCLSA-N 2 1 274.408 2.395 20 0 CEADMP C[NH+](Cc1cccc2c1OCC2)C[C@H]1CCC[N@@H+](C)C1 ZINC000891669787 623879753 /nfs/dbraw/zinc/87/97/53/623879753.db2.gz FJKNEBQEJYHVMK-AWEZNQCLSA-N 2 1 274.408 2.395 20 0 CEADMP C[N@H+](C[C@@H]1C[C@]1(C)Br)C[C@H]1CCC[NH+](C)C1 ZINC000891670177 623879778 /nfs/dbraw/zinc/87/97/78/623879778.db2.gz HNJPUZRKTJXSKE-AVGNSLFASA-N 2 1 289.261 2.434 20 0 CEADMP Cc1cc(N)nc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)[nH+]1 ZINC000891736296 623933636 /nfs/dbraw/zinc/93/36/36/623933636.db2.gz JJYGXCBCWAEJBI-CYBMUJFWSA-N 2 1 297.406 2.226 20 0 CEADMP Cc1cc(N)nc(NC[C@@H](C)[N@H+]2CCc3ccccc3C2)[nH+]1 ZINC000891736296 623933640 /nfs/dbraw/zinc/93/36/40/623933640.db2.gz JJYGXCBCWAEJBI-CYBMUJFWSA-N 2 1 297.406 2.226 20 0 CEADMP C[N@H+]1C[C@@H]2CN(CCOC3CCCCC3)C[C@]2(C)C1 ZINC000933732280 623981764 /nfs/dbraw/zinc/98/17/64/623981764.db2.gz ICUUPPRZQDKGOM-ZBFHGGJFSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCOC3CCCCC3)C[C@]2(C)C1 ZINC000933732280 623981775 /nfs/dbraw/zinc/98/17/75/623981775.db2.gz ICUUPPRZQDKGOM-ZBFHGGJFSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCOC3CCCCC3)C[C@]2(C)C1 ZINC000933732280 623981777 /nfs/dbraw/zinc/98/17/77/623981777.db2.gz ICUUPPRZQDKGOM-ZBFHGGJFSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737219 625927442 /nfs/dbraw/zinc/92/74/42/625927442.db2.gz DJJQZMXCDXSCCD-FMKPAKJESA-N 2 1 280.456 2.369 20 0 CEADMP C[NH+](C)Cc1ccnc(NC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC000820603732 634472630 /nfs/dbraw/zinc/47/26/30/634472630.db2.gz YWIAQGAHNMMVDE-UHFFFAOYSA-N 2 1 292.427 2.060 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCCC[NH+]1CCCC1 ZINC000820638071 634483905 /nfs/dbraw/zinc/48/39/05/634483905.db2.gz WCLHUZDDXHPOQU-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP c1cncc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000820805521 634532264 /nfs/dbraw/zinc/53/22/64/634532264.db2.gz LIXPKQRMNFFBAL-VHRNVKJDSA-N 2 1 257.381 2.329 20 0 CEADMP c1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000820805521 634532269 /nfs/dbraw/zinc/53/22/69/634532269.db2.gz LIXPKQRMNFFBAL-VHRNVKJDSA-N 2 1 257.381 2.329 20 0 CEADMP c1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000820805521 634532272 /nfs/dbraw/zinc/53/22/72/634532272.db2.gz LIXPKQRMNFFBAL-VHRNVKJDSA-N 2 1 257.381 2.329 20 0 CEADMP c1cn2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)sc2n1 ZINC000892606366 627305319 /nfs/dbraw/zinc/30/53/19/627305319.db2.gz AGLOHCYZJAHZAJ-RYUDHWBXSA-N 2 1 276.409 2.112 20 0 CEADMP c1cn2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)sc2n1 ZINC000892606366 627305320 /nfs/dbraw/zinc/30/53/20/627305320.db2.gz AGLOHCYZJAHZAJ-RYUDHWBXSA-N 2 1 276.409 2.112 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC)c(C)c2)C1 ZINC000892614802 627312386 /nfs/dbraw/zinc/31/23/86/627312386.db2.gz UXKKXMTZEKZEBK-OAHLLOKOSA-N 2 1 290.407 2.213 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCCCC1 ZINC000310913766 627316329 /nfs/dbraw/zinc/31/63/29/627316329.db2.gz FRBMGDIUHNYJNL-OAHLLOKOSA-N 2 1 254.418 2.098 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCCCC1 ZINC000310913766 627316333 /nfs/dbraw/zinc/31/63/33/627316333.db2.gz FRBMGDIUHNYJNL-OAHLLOKOSA-N 2 1 254.418 2.098 20 0 CEADMP C[N@@H+](CCN[C@H]1CC[NH2+]CC(C)(C)C1)C1CCCC1 ZINC000902316916 634580918 /nfs/dbraw/zinc/58/09/18/634580918.db2.gz JGTZSTBXMVLWMN-AWEZNQCLSA-N 2 1 267.461 2.229 20 0 CEADMP CC1(C)CCC[N@@H+](CCN[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902374857 634605912 /nfs/dbraw/zinc/60/59/12/634605912.db2.gz DWQWYFTVGLMGOB-HNNXBMFYSA-N 2 1 281.488 2.476 20 0 CEADMP CC1(C)CCCN(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902374857 634605913 /nfs/dbraw/zinc/60/59/13/634605913.db2.gz DWQWYFTVGLMGOB-HNNXBMFYSA-N 2 1 281.488 2.476 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000314049527 627866799 /nfs/dbraw/zinc/86/67/99/627866799.db2.gz TVXWTGJPRCWBLL-QZTJIDSGSA-N 2 1 288.435 2.364 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000314049527 627866802 /nfs/dbraw/zinc/86/68/02/627866802.db2.gz TVXWTGJPRCWBLL-QZTJIDSGSA-N 2 1 288.435 2.364 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000314049527 627866807 /nfs/dbraw/zinc/86/68/07/627866807.db2.gz TVXWTGJPRCWBLL-QZTJIDSGSA-N 2 1 288.435 2.364 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000314049527 627866812 /nfs/dbraw/zinc/86/68/12/627866812.db2.gz TVXWTGJPRCWBLL-QZTJIDSGSA-N 2 1 288.435 2.364 20 0 CEADMP Cc1ccc(OC[C@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000328571546 627891642 /nfs/dbraw/zinc/89/16/42/627891642.db2.gz SSSKVEYMJMUNER-MGLAFYJRSA-N 2 1 286.419 2.348 20 0 CEADMP C[N@@H+](CCN[C@@H]1CC[NH2+]C12CCCC2)Cc1ccccc1 ZINC000925502095 627986405 /nfs/dbraw/zinc/98/64/05/627986405.db2.gz KGSJADYYJAPOBD-QGZVFWFLSA-N 2 1 287.451 2.383 20 0 CEADMP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC000893084967 627990890 /nfs/dbraw/zinc/99/08/90/627990890.db2.gz DSLWTUYQMLJRBK-YHWZYXNKSA-N 2 1 264.369 2.393 20 0 CEADMP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)o1 ZINC000893084967 627990894 /nfs/dbraw/zinc/99/08/94/627990894.db2.gz DSLWTUYQMLJRBK-YHWZYXNKSA-N 2 1 264.369 2.393 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cnc1F ZINC000893093995 627996463 /nfs/dbraw/zinc/99/64/63/627996463.db2.gz CIBWESPGJDBEKK-UONOGXRCSA-N 2 1 265.376 2.492 20 0 CEADMP Cc1cc(F)ncc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000893094195 627996492 /nfs/dbraw/zinc/99/64/92/627996492.db2.gz GIYIFCJKKDLMRU-ZIAGYGMSSA-N 2 1 265.376 2.492 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925509410 628031060 /nfs/dbraw/zinc/03/10/60/628031060.db2.gz NACWLGUUWSILAG-IXDOHACOSA-N 2 1 279.472 2.229 20 0 CEADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925509410 628031063 /nfs/dbraw/zinc/03/10/63/628031063.db2.gz NACWLGUUWSILAG-IXDOHACOSA-N 2 1 279.472 2.229 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000925513665 628048271 /nfs/dbraw/zinc/04/82/71/628048271.db2.gz AARNUUSRIPFPFK-CQSZACIVSA-N 2 1 266.360 2.325 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+][C@H](C)CC[S@@](C)=O)CC1 ZINC000925522100 628079416 /nfs/dbraw/zinc/07/94/16/628079416.db2.gz QZTQSPZGIAQFPJ-AUUYWEPGSA-N 2 1 288.501 2.244 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](CCc3cccc(F)c3)C2)C1 ZINC000930556083 628084840 /nfs/dbraw/zinc/08/48/40/628084840.db2.gz QTNIQBAKLMFXJV-INIZCTEOSA-N 2 1 262.372 2.396 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CCc3cccc(F)c3)C2)C1 ZINC000930556083 628084844 /nfs/dbraw/zinc/08/48/44/628084844.db2.gz QTNIQBAKLMFXJV-INIZCTEOSA-N 2 1 262.372 2.396 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CCc3cccc(F)c3)C2)C1 ZINC000930556083 628084846 /nfs/dbraw/zinc/08/48/46/628084846.db2.gz QTNIQBAKLMFXJV-INIZCTEOSA-N 2 1 262.372 2.396 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](CCc3cccc(F)c3)C2)C1 ZINC000930556083 628084851 /nfs/dbraw/zinc/08/48/51/628084851.db2.gz QTNIQBAKLMFXJV-INIZCTEOSA-N 2 1 262.372 2.396 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000925527249 628109272 /nfs/dbraw/zinc/10/92/72/628109272.db2.gz PABMPHMAQQFCQV-YJBOKZPZSA-N 2 1 287.451 2.165 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000902389864 634630613 /nfs/dbraw/zinc/63/06/13/634630613.db2.gz CCUADNAAJWIDKI-AWEZNQCLSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925552298 628204818 /nfs/dbraw/zinc/20/48/18/628204818.db2.gz IJBNHVGQIBBMEO-UCIFAOBLSA-N 3 1 291.483 2.227 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925552298 628204820 /nfs/dbraw/zinc/20/48/20/628204820.db2.gz IJBNHVGQIBBMEO-UCIFAOBLSA-N 2 1 291.483 2.227 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925552298 628204821 /nfs/dbraw/zinc/20/48/21/628204821.db2.gz IJBNHVGQIBBMEO-UCIFAOBLSA-N 2 1 291.483 2.227 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(OCC)OCC)C1 ZINC000184977732 628219652 /nfs/dbraw/zinc/21/96/52/628219652.db2.gz XGUMFUGLOHTAQS-AWEZNQCLSA-N 2 1 272.433 2.049 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(OCC)OCC)C1 ZINC000184977732 628219659 /nfs/dbraw/zinc/21/96/59/628219659.db2.gz XGUMFUGLOHTAQS-AWEZNQCLSA-N 2 1 272.433 2.049 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(OCC)OCC)C1 ZINC000184977732 628219661 /nfs/dbraw/zinc/21/96/61/628219661.db2.gz XGUMFUGLOHTAQS-AWEZNQCLSA-N 2 1 272.433 2.049 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(OCC)OCC)C1 ZINC000184977732 628219664 /nfs/dbraw/zinc/21/96/64/628219664.db2.gz XGUMFUGLOHTAQS-AWEZNQCLSA-N 2 1 272.433 2.049 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925556697 628221495 /nfs/dbraw/zinc/22/14/95/628221495.db2.gz JGOJWDZCUAUITM-XUWVNRHRSA-N 2 1 279.472 2.214 20 0 CEADMP C1CCC([C@@H]2C[NH2+]CC[C@@H]2N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000925559814 628227093 /nfs/dbraw/zinc/22/70/93/628227093.db2.gz CSAFDCVOTQOQCP-XSLAGTTESA-N 2 1 291.483 2.371 20 0 CEADMP C1CCC([C@@H]2C[NH2+]CC[C@@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000925559814 628227094 /nfs/dbraw/zinc/22/70/94/628227094.db2.gz CSAFDCVOTQOQCP-XSLAGTTESA-N 3 1 291.483 2.371 20 0 CEADMP C1CCC([C@@H]2C[NH2+]CC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000925559814 628227097 /nfs/dbraw/zinc/22/70/97/628227097.db2.gz CSAFDCVOTQOQCP-XSLAGTTESA-N 3 1 291.483 2.371 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3CSC3)C2)cc1 ZINC000396458598 628227695 /nfs/dbraw/zinc/22/76/95/628227695.db2.gz RNPCFMMNIJLIPP-AWEZNQCLSA-N 2 1 262.422 2.214 20 0 CEADMP COc1cccc(OCCC[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000925580749 628258939 /nfs/dbraw/zinc/25/89/39/628258939.db2.gz METNECDEUYSMBD-XJKSGUPXSA-N 2 1 278.396 2.194 20 0 CEADMP Clc1cccc(OCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000925587362 628266273 /nfs/dbraw/zinc/26/62/73/628266273.db2.gz YLNPCEXWISNXQP-GRIRQICOSA-N 2 1 292.810 2.305 20 0 CEADMP CCON1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000925589380 628269416 /nfs/dbraw/zinc/26/94/16/628269416.db2.gz YBXURAFUAZVGMF-INIZCTEOSA-N 2 1 297.487 2.360 20 0 CEADMP C[C@H](C[NH2+]Cc1ccc(F)nc1)C[NH+]1CCCCC1 ZINC000188997139 628300891 /nfs/dbraw/zinc/30/08/91/628300891.db2.gz GKBBFVWCQJERJS-CYBMUJFWSA-N 2 1 265.376 2.432 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925616975 628302967 /nfs/dbraw/zinc/30/29/67/628302967.db2.gz OWDMRECHTUAKMG-BZUAXINKSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925617165 628304000 /nfs/dbraw/zinc/30/40/00/628304000.db2.gz VPHLYOYEQVOTRP-NDBYEHHHSA-N 2 1 268.426 2.290 20 0 CEADMP C[C@@](O)(CC[NH2+][C@@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925644861 628342818 /nfs/dbraw/zinc/34/28/18/628342818.db2.gz OFWFZUNFSWPPSW-GDBMZVCRSA-N 2 1 262.397 2.014 20 0 CEADMP CCC(CC)C[N@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000311058775 628355810 /nfs/dbraw/zinc/35/58/10/628355810.db2.gz JLXWOBJZCXSYSV-HNNXBMFYSA-N 2 1 256.434 2.201 20 0 CEADMP CCC(CC)C[N@@H+](CC)C[C@H](O)C[NH+]1CCCC1 ZINC000311058775 628355812 /nfs/dbraw/zinc/35/58/12/628355812.db2.gz JLXWOBJZCXSYSV-HNNXBMFYSA-N 2 1 256.434 2.201 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000925651361 628356695 /nfs/dbraw/zinc/35/66/95/628356695.db2.gz BEZRDDVDWUJHJX-YQQAZPJKSA-N 2 1 292.398 2.022 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]C(C)C)CC1 ZINC001026610062 628374036 /nfs/dbraw/zinc/37/40/36/628374036.db2.gz BSEFCCAOUOVJTO-GPANFISMSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCc1ccccc1F ZINC000925664284 628379437 /nfs/dbraw/zinc/37/94/37/628379437.db2.gz XSZMYZNLZNUMCI-DOMZBBRYSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(OC(F)F)cc1 ZINC000902414435 634663402 /nfs/dbraw/zinc/66/34/02/634663402.db2.gz AFNHIFTWYTURDU-VIFPVBQESA-N 2 1 256.296 2.430 20 0 CEADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCC=CO1 ZINC000194004016 628494289 /nfs/dbraw/zinc/49/42/89/628494289.db2.gz MQQUQMNJRWJKAL-CABCVRRESA-N 2 1 252.402 2.485 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCC=CO1 ZINC000194004016 628494291 /nfs/dbraw/zinc/49/42/91/628494291.db2.gz MQQUQMNJRWJKAL-CABCVRRESA-N 2 1 252.402 2.485 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCC=CO1 ZINC000194004016 628494295 /nfs/dbraw/zinc/49/42/95/628494295.db2.gz MQQUQMNJRWJKAL-CABCVRRESA-N 2 1 252.402 2.485 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCC=CO1 ZINC000194004016 628494298 /nfs/dbraw/zinc/49/42/98/628494298.db2.gz MQQUQMNJRWJKAL-CABCVRRESA-N 2 1 252.402 2.485 20 0 CEADMP CC(C)(C[NH2+][C@H]1CC[NH2+]C12CCC2)c1cccnc1 ZINC000925692674 628511454 /nfs/dbraw/zinc/51/14/54/628511454.db2.gz PEJMCPSDHIYBAN-AWEZNQCLSA-N 2 1 259.397 2.233 20 0 CEADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(C)C ZINC000902472248 634664616 /nfs/dbraw/zinc/66/46/16/634664616.db2.gz ZKQGZZTWYLGLPF-VYDRJRHOSA-N 2 1 266.429 2.309 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925710481 628558676 /nfs/dbraw/zinc/55/86/76/628558676.db2.gz KVABDJNVLNYPAJ-OWCLPIDISA-N 2 1 281.488 2.331 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000925711841 628562788 /nfs/dbraw/zinc/56/27/88/628562788.db2.gz SPKGIKRXQLKFTI-JKSUJKDBSA-N 2 1 264.413 2.043 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc2c1OCO2 ZINC000925713203 628566247 /nfs/dbraw/zinc/56/62/47/628566247.db2.gz WUIPXVXAYHPQFG-LBPRGKRZSA-N 2 1 274.364 2.328 20 0 CEADMP CC1(C)[C@@H](NCc2ccc(C[NH3+])cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925714587 628572698 /nfs/dbraw/zinc/57/26/98/628572698.db2.gz ZYMUNOPHYNLRGZ-PMPSAXMXSA-N 2 1 273.424 2.012 20 0 CEADMP CCCCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(C)C ZINC000902474638 634666215 /nfs/dbraw/zinc/66/62/15/634666215.db2.gz HBWDJPNNFPXDAI-KHMAMNHCSA-N 2 1 266.429 2.453 20 0 CEADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(C)C ZINC000902474639 634666687 /nfs/dbraw/zinc/66/66/87/634666687.db2.gz HBWDJPNNFPXDAI-QKGCVVFFSA-N 2 1 266.429 2.453 20 0 CEADMP c1ccc(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000257693998 628605427 /nfs/dbraw/zinc/60/54/27/628605427.db2.gz OILSSBGTOBRFKR-UHFFFAOYSA-N 2 1 260.381 2.141 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CCC[NH2+][C@H]3C)C2)cc1 ZINC000925723500 628608535 /nfs/dbraw/zinc/60/85/35/628608535.db2.gz WOIMZTCTJLENGN-SZMVWBNQSA-N 2 1 287.451 2.299 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000902477938 634668667 /nfs/dbraw/zinc/66/86/67/634668667.db2.gz VUSLJQBVKHXGCO-FXXCCUJSSA-N 2 1 285.435 2.132 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)CC2 ZINC000902448177 634671281 /nfs/dbraw/zinc/67/12/81/634671281.db2.gz DHHAAFAQCCQHLO-ZBFHGGJFSA-N 2 1 274.408 2.140 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000902448388 634671563 /nfs/dbraw/zinc/67/15/63/634671563.db2.gz FPJHNJCSJUOMAQ-DJIMGWMZSA-N 2 1 287.451 2.410 20 0 CEADMP CC1(C)C[NH2+]C[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000902448134 634671668 /nfs/dbraw/zinc/67/16/68/634671668.db2.gz CPBDNYIPEJHZQT-MRXNPFEDSA-N 2 1 273.424 2.243 20 0 CEADMP CC[N@H+](CCNc1nc(N)cc(C)[nH+]1)CCC(F)(F)F ZINC000893479793 628645534 /nfs/dbraw/zinc/64/55/34/628645534.db2.gz ULQQBUUGRSTYGE-UHFFFAOYSA-N 2 1 291.321 2.053 20 0 CEADMP CC[N@@H+](CCNc1nc(N)cc(C)[nH+]1)CCC(F)(F)F ZINC000893479793 628645539 /nfs/dbraw/zinc/64/55/39/628645539.db2.gz ULQQBUUGRSTYGE-UHFFFAOYSA-N 2 1 291.321 2.053 20 0 CEADMP C([NH2+][C@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1(CC2CC2)CC1 ZINC000925733163 628688151 /nfs/dbraw/zinc/68/81/51/628688151.db2.gz GKEYKNYWCSASKE-OWCLPIDISA-N 2 1 278.440 2.313 20 0 CEADMP Cc1cc(N)nc(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)[nH+]1 ZINC000893586118 628759747 /nfs/dbraw/zinc/75/97/47/628759747.db2.gz WVEIUYMDOFENEL-SWLSCSKDSA-N 2 1 285.395 2.471 20 0 CEADMP Cc1nc(NC[C@@H](C)[NH3+])cc(Nc2ccccc2)[nH+]1 ZINC000258711635 628763314 /nfs/dbraw/zinc/76/33/14/628763314.db2.gz LEMHPCXLRWCEQS-SNVBAGLBSA-N 2 1 257.341 2.288 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000925773262 628783330 /nfs/dbraw/zinc/78/33/30/628783330.db2.gz BIDDBRMVYDXLOP-CHWSQXEVSA-N 2 1 252.402 2.066 20 0 CEADMP COc1ncc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000925782778 628812942 /nfs/dbraw/zinc/81/29/42/628812942.db2.gz ALNFRPSEJSPJLM-SCVCMEIPSA-N 2 1 283.803 2.250 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C12CCCCC2 ZINC000925783362 628816573 /nfs/dbraw/zinc/81/65/73/628816573.db2.gz NKWJWUJFOQWGCM-KBUPBQIOSA-N 2 1 266.429 2.312 20 0 CEADMP Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925806488 628858234 /nfs/dbraw/zinc/85/82/34/628858234.db2.gz QIMYXMQISSYVGK-SKDRFNHKSA-N 2 1 260.341 2.154 20 0 CEADMP CCN(C(=O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000925810856 628862634 /nfs/dbraw/zinc/86/26/34/628862634.db2.gz BCTUEXXTXXHGFA-GJZGRUSLSA-N 2 1 289.423 2.017 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925824712 628894442 /nfs/dbraw/zinc/89/44/42/628894442.db2.gz UNTFETQGODQALF-ORBLRFAASA-N 3 1 279.472 2.371 20 0 CEADMP Cc1nc2c(cccc2CC[NH2+][C@H]2CC[NH2+]C2(C)C)o1 ZINC000925838722 628938517 /nfs/dbraw/zinc/93/85/17/628938517.db2.gz NPLAMWVBHVOTEG-AWEZNQCLSA-N 2 1 273.380 2.409 20 0 CEADMP O[C@H](C[N@@H+](CC1CC[NH2+]CC1)C1CC1)c1ccc(F)cc1 ZINC000261618050 628948894 /nfs/dbraw/zinc/94/88/94/628948894.db2.gz COPIFOZWFLBWHJ-QGZVFWFLSA-N 2 1 292.398 2.323 20 0 CEADMP c1ccc2c(c1)CC[C@H]2[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925849295 628953607 /nfs/dbraw/zinc/95/36/07/628953607.db2.gz ONJMAJGDHQHHGO-GOSISDBHSA-N 2 1 287.451 2.339 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000925860889 628961724 /nfs/dbraw/zinc/96/17/24/628961724.db2.gz LOVQJYUOHFRUTP-AGIUHOORSA-N 2 1 254.443 2.392 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000925874560 628974351 /nfs/dbraw/zinc/97/43/51/628974351.db2.gz KDUGVVRHYFGEDV-LSDHHAIUSA-N 2 1 260.381 2.371 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902483232 634700792 /nfs/dbraw/zinc/70/07/92/634700792.db2.gz PPRPFQJVRLPPAT-GJZGRUSLSA-N 2 1 264.417 2.030 20 0 CEADMP CCC[N@@H+](CC1CC[NH+](C)CC1)[C@@H](CC)C(=O)OCC ZINC000893985469 629077915 /nfs/dbraw/zinc/07/79/15/629077915.db2.gz JZRLTGPSDZIRSJ-HNNXBMFYSA-N 2 1 284.444 2.382 20 0 CEADMP C[C@H]1Cc2cc(CN3C[C@@H]4C[N@H+](C)C[C@@H]4C3)ccc2O1 ZINC000894082159 629112674 /nfs/dbraw/zinc/11/26/74/629112674.db2.gz AITFGHGOXDUKBE-VBNZEHGJSA-N 2 1 272.392 2.003 20 0 CEADMP C[C@H]1Cc2cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)ccc2O1 ZINC000894082159 629112677 /nfs/dbraw/zinc/11/26/77/629112677.db2.gz AITFGHGOXDUKBE-VBNZEHGJSA-N 2 1 272.392 2.003 20 0 CEADMP C[C@H]1Cc2cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)ccc2O1 ZINC000894082159 629112696 /nfs/dbraw/zinc/11/26/96/629112696.db2.gz AITFGHGOXDUKBE-VBNZEHGJSA-N 2 1 272.392 2.003 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C1(Br)CC1 ZINC000924874512 629148085 /nfs/dbraw/zinc/14/80/85/629148085.db2.gz TUVRLBOWQSGBEF-SECBINFHSA-N 2 1 272.190 2.097 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000924875352 629151401 /nfs/dbraw/zinc/15/14/01/629151401.db2.gz YVMYTTMDRLUOGR-LSDHHAIUSA-N 2 1 265.401 2.112 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCOc1cccc(F)c1 ZINC000902519090 634712559 /nfs/dbraw/zinc/71/25/59/634712559.db2.gz XOVABDFFYLDCGB-IUODEOHRSA-N 2 1 266.360 2.182 20 0 CEADMP Cc1ccc(OCC[N@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261746075 629180116 /nfs/dbraw/zinc/18/01/16/629180116.db2.gz JAMJEUYZGNSAQO-MRXNPFEDSA-N 2 1 262.397 2.305 20 0 CEADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261816135 629255305 /nfs/dbraw/zinc/25/53/05/629255305.db2.gz STFVDRZAXIIPCP-XJKSGUPXSA-N 2 1 293.842 2.381 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000894358450 629389860 /nfs/dbraw/zinc/38/98/60/629389860.db2.gz GEOGBASJZASIQW-CABCVRRESA-N 2 1 268.445 2.369 20 0 CEADMP COc1ccc(C[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000894449369 629463081 /nfs/dbraw/zinc/46/30/81/629463081.db2.gz LFCWCPORYYXCGA-UHFFFAOYSA-N 2 1 250.386 2.387 20 0 CEADMP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000894449369 629463083 /nfs/dbraw/zinc/46/30/83/629463083.db2.gz LFCWCPORYYXCGA-UHFFFAOYSA-N 2 1 250.386 2.387 20 0 CEADMP CN(C)CC[N@@H+](Cc1cccs1)CC1CC[NH+](C)CC1 ZINC000894463555 629474188 /nfs/dbraw/zinc/47/41/88/629474188.db2.gz FXIURQMRMNNPOX-UHFFFAOYSA-N 2 1 295.496 2.454 20 0 CEADMP CN(C)CC[N@H+](Cc1cccs1)CC1CC[NH+](C)CC1 ZINC000894463555 629474193 /nfs/dbraw/zinc/47/41/93/629474193.db2.gz FXIURQMRMNNPOX-UHFFFAOYSA-N 2 1 295.496 2.454 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](CC)CC1CC[NH+](C)CC1 ZINC000894472382 629476837 /nfs/dbraw/zinc/47/68/37/629476837.db2.gz KQPYUWWUJNTQDN-UHFFFAOYSA-N 3 1 269.477 2.382 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)CC1 ZINC000894485985 629488677 /nfs/dbraw/zinc/48/86/77/629488677.db2.gz ROWINNSILWSHRM-IAGOWNOFSA-N 2 1 280.456 2.467 20 0 CEADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(O)c(F)c2)C1 ZINC000894497324 629492151 /nfs/dbraw/zinc/49/21/51/629492151.db2.gz XECMIULGRQNWCR-UKRRQHHQSA-N 2 1 278.371 2.447 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(O)c(F)c2)C1 ZINC000894497324 629492154 /nfs/dbraw/zinc/49/21/54/629492154.db2.gz XECMIULGRQNWCR-UKRRQHHQSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(O)c(F)c2)C1 ZINC000894497324 629492156 /nfs/dbraw/zinc/49/21/56/629492156.db2.gz XECMIULGRQNWCR-UKRRQHHQSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(O)c(F)c2)C1 ZINC000894497324 629492159 /nfs/dbraw/zinc/49/21/59/629492159.db2.gz XECMIULGRQNWCR-UKRRQHHQSA-N 2 1 278.371 2.447 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)nc1 ZINC000894496793 629499114 /nfs/dbraw/zinc/49/91/14/629499114.db2.gz QRYFLPYXTDKOHS-CZUORRHYSA-N 2 1 275.396 2.006 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)nc1 ZINC000894496793 629499115 /nfs/dbraw/zinc/49/91/15/629499115.db2.gz QRYFLPYXTDKOHS-CZUORRHYSA-N 2 1 275.396 2.006 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)nc1 ZINC000894496793 629499118 /nfs/dbraw/zinc/49/91/18/629499118.db2.gz QRYFLPYXTDKOHS-CZUORRHYSA-N 2 1 275.396 2.006 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)nc1 ZINC000894496793 629499120 /nfs/dbraw/zinc/49/91/20/629499120.db2.gz QRYFLPYXTDKOHS-CZUORRHYSA-N 2 1 275.396 2.006 20 0 CEADMP Cc1cc(N)nc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)[nH+]1 ZINC000894559430 629526472 /nfs/dbraw/zinc/52/64/72/629526472.db2.gz GPCXDXYVELYSFO-GFCCVEGCSA-N 2 1 275.400 2.186 20 0 CEADMP Cc1cc(N)nc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)[nH+]1 ZINC000894559430 629526476 /nfs/dbraw/zinc/52/64/76/629526476.db2.gz GPCXDXYVELYSFO-GFCCVEGCSA-N 2 1 275.400 2.186 20 0 CEADMP CCn1cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)n1 ZINC000894622640 629563202 /nfs/dbraw/zinc/56/32/02/629563202.db2.gz KAESQYXTUBTDGQ-INIZCTEOSA-N 2 1 276.428 2.129 20 0 CEADMP COC(=O)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CC(C)C ZINC000894790704 629637267 /nfs/dbraw/zinc/63/72/67/629637267.db2.gz LKJCYPGESACLAG-ZNMIVQPWSA-N 2 1 282.428 2.038 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CO[C@H](C)[C@@H]2C)[C@@H](C)C1 ZINC000925079834 629640380 /nfs/dbraw/zinc/64/03/80/629640380.db2.gz ZQBBKOZMVAIDNU-ZOFXXKQRSA-N 2 1 298.471 2.136 20 0 CEADMP CN(C)CC[N@@H+](Cc1ccsc1)CC1CC[NH+](C)CC1 ZINC000894862642 629702471 /nfs/dbraw/zinc/70/24/71/629702471.db2.gz ANCGBVIMLOZABN-UHFFFAOYSA-N 2 1 295.496 2.454 20 0 CEADMP CN(C)CC[N@H+](Cc1ccsc1)CC1CC[NH+](C)CC1 ZINC000894862642 629702477 /nfs/dbraw/zinc/70/24/77/629702477.db2.gz ANCGBVIMLOZABN-UHFFFAOYSA-N 2 1 295.496 2.454 20 0 CEADMP C[N@H+](C[C@@H](O)c1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796458974 629909596 /nfs/dbraw/zinc/90/95/96/629909596.db2.gz ODOAWFHKJWIJMM-FCLJQHQZSA-N 2 1 292.398 2.416 20 0 CEADMP C[N@@H+](C[C@@H](O)c1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796458974 629909600 /nfs/dbraw/zinc/90/96/00/629909600.db2.gz ODOAWFHKJWIJMM-FCLJQHQZSA-N 2 1 292.398 2.416 20 0 CEADMP C[NH+](C[C@@H](O)c1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796458974 629909603 /nfs/dbraw/zinc/90/96/03/629909603.db2.gz ODOAWFHKJWIJMM-FCLJQHQZSA-N 2 1 292.398 2.416 20 0 CEADMP C[NH+](C[C@@H](O)c1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796458974 629909606 /nfs/dbraw/zinc/90/96/06/629909606.db2.gz ODOAWFHKJWIJMM-FCLJQHQZSA-N 2 1 292.398 2.416 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192048039 629949975 /nfs/dbraw/zinc/94/99/75/629949975.db2.gz LHZBYMMSWULTKW-CABCVRRESA-N 2 1 294.439 2.136 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192048039 629949976 /nfs/dbraw/zinc/94/99/76/629949976.db2.gz LHZBYMMSWULTKW-CABCVRRESA-N 2 1 294.439 2.136 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CC[C@@H](C)[NH+](C)C)o1 ZINC000895293319 630085226 /nfs/dbraw/zinc/08/52/26/630085226.db2.gz ZITGVCFLUCMXSK-GFCCVEGCSA-N 2 1 290.411 2.418 20 0 CEADMP Cc1[nH+]cc(CN2CCCC[C@H]2[C@H](C)C[NH+](C)C)n1C ZINC000895379526 630150759 /nfs/dbraw/zinc/15/07/59/630150759.db2.gz LRPLWJIQYMAHHY-CJNGLKHVSA-N 2 1 278.444 2.281 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000895395821 630163477 /nfs/dbraw/zinc/16/34/77/630163477.db2.gz CDXGVWDBYUQKRN-XYTVBORESA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CCCCC1 ZINC000895439064 630190372 /nfs/dbraw/zinc/19/03/72/630190372.db2.gz UMSYBJRUKNPVKO-AWEZNQCLSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1[nH+]ccc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1Br ZINC000895733954 630324846 /nfs/dbraw/zinc/32/48/46/630324846.db2.gz IQTPHRGRTPLEHI-NXEZZACHSA-N 2 1 284.201 2.079 20 0 CEADMP CC1CC(CON=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000902775304 634822651 /nfs/dbraw/zinc/82/26/51/634822651.db2.gz UPVHJDNXRRFSKY-ZRRUAHMRSA-N 2 1 265.401 2.404 20 0 CEADMP CC1CC(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000902775304 634822654 /nfs/dbraw/zinc/82/26/54/634822654.db2.gz UPVHJDNXRRFSKY-ZRRUAHMRSA-N 2 1 265.401 2.404 20 0 CEADMP CC1CC(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000902775304 634822656 /nfs/dbraw/zinc/82/26/56/634822656.db2.gz UPVHJDNXRRFSKY-ZRRUAHMRSA-N 2 1 265.401 2.404 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902779738 634824127 /nfs/dbraw/zinc/82/41/27/634824127.db2.gz ZVRDMUQVGWLOCA-UTQGOSHXSA-N 2 1 278.440 2.121 20 0 CEADMP FC(F)(F)OCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000883428874 630589461 /nfs/dbraw/zinc/58/94/61/630589461.db2.gz FRAGTGUTVFYWES-NWDGAFQWSA-N 2 1 280.334 2.234 20 0 CEADMP CC[C@](C)(C[NH2+][C@@H](CCN(C)C)c1cccnc1)OC ZINC000896716776 630648053 /nfs/dbraw/zinc/64/80/53/630648053.db2.gz LKQVRCMSXFFXCS-JKSUJKDBSA-N 2 1 279.428 2.479 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@@H](O)c2ccc(F)cn2)C[C@@H]1C ZINC000799306192 631005773 /nfs/dbraw/zinc/00/57/73/631005773.db2.gz UBNUPDMCXAAKPN-DUVNUKRYSA-N 2 1 295.402 2.059 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](C)C(C)C)CC1 ZINC000985460148 631088941 /nfs/dbraw/zinc/08/89/41/631088941.db2.gz VKEPDNKQAIXYFZ-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([N@H+](C)C(C)C)CC1 ZINC000985460148 631088944 /nfs/dbraw/zinc/08/89/44/631088944.db2.gz VKEPDNKQAIXYFZ-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)C(C)C)CC1 ZINC000985460148 631088949 /nfs/dbraw/zinc/08/89/49/631088949.db2.gz VKEPDNKQAIXYFZ-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@@H+](C)C1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000985468717 631095978 /nfs/dbraw/zinc/09/59/78/631095978.db2.gz AKBMNAWXFFOHNR-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000985468717 631095982 /nfs/dbraw/zinc/09/59/82/631095982.db2.gz AKBMNAWXFFOHNR-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000985468717 631095989 /nfs/dbraw/zinc/09/59/89/631095989.db2.gz AKBMNAWXFFOHNR-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000904316682 635563159 /nfs/dbraw/zinc/56/31/59/635563159.db2.gz PRLQNAZEEZZKNI-SOUVJXGZSA-N 2 1 289.423 2.463 20 0 CEADMP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000800969528 631155747 /nfs/dbraw/zinc/15/57/47/631155747.db2.gz JQEPCVNMAZNFPF-WCVJEAGWSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000800969528 631155751 /nfs/dbraw/zinc/15/57/51/631155751.db2.gz JQEPCVNMAZNFPF-WCVJEAGWSA-N 2 1 264.413 2.018 20 0 CEADMP CC(C)[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000985801335 631183763 /nfs/dbraw/zinc/18/37/63/631183763.db2.gz DWPFLBWUEFYLEC-GJZGRUSLSA-N 2 1 295.471 2.190 20 0 CEADMP CC1CCN(C(=[NH2+])NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000262794486 631227430 /nfs/dbraw/zinc/22/74/30/631227430.db2.gz NGQCZCNEEAFHDH-OAHLLOKOSA-N 2 1 278.444 2.260 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)C(C)C)C1 ZINC000808732870 631306285 /nfs/dbraw/zinc/30/62/85/631306285.db2.gz LUFLKJUEOXFDOO-AWEZNQCLSA-N 2 1 254.418 2.265 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)C(C)C)C1 ZINC000808732870 631306291 /nfs/dbraw/zinc/30/62/91/631306291.db2.gz LUFLKJUEOXFDOO-AWEZNQCLSA-N 2 1 254.418 2.265 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)C(C)C)C1 ZINC000808732870 631306295 /nfs/dbraw/zinc/30/62/95/631306295.db2.gz LUFLKJUEOXFDOO-AWEZNQCLSA-N 2 1 254.418 2.265 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)C(C)C)C1 ZINC000808732870 631306299 /nfs/dbraw/zinc/30/62/99/631306299.db2.gz LUFLKJUEOXFDOO-AWEZNQCLSA-N 2 1 254.418 2.265 20 0 CEADMP Cc1cc(N(C)CC(C)(C)C[NH+](C)C)nc(C)[nH+]1 ZINC000897419334 631338203 /nfs/dbraw/zinc/33/82/03/631338203.db2.gz FVAAZJZUNJXMBH-UHFFFAOYSA-N 2 1 250.390 2.117 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CN2CC[C@H](C)C2=O)CC1 ZINC000839996974 631536760 /nfs/dbraw/zinc/53/67/60/631536760.db2.gz BUEQRARVFIMVFB-HNNXBMFYSA-N 2 1 295.471 2.256 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@@H](C)[C@@H](C)C2=O)CC1 ZINC000840003825 631572470 /nfs/dbraw/zinc/57/24/70/631572470.db2.gz NYMIDCAMLXQUAY-HUUCEWRRSA-N 2 1 295.471 2.111 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)[C@@H](C)C1 ZINC000897507886 631596910 /nfs/dbraw/zinc/59/69/10/631596910.db2.gz GOLDVERVPOBJFG-QCEMKRCNSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](c3ccccn3)C2)CC[NH2+]1 ZINC000841018560 631791758 /nfs/dbraw/zinc/79/17/58/631791758.db2.gz NEIUXIOTUASCBK-ILXRZTDVSA-N 2 1 259.397 2.259 20 0 CEADMP CCOc1cccc(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1 ZINC000897621522 631825336 /nfs/dbraw/zinc/82/53/36/631825336.db2.gz GKNJVCLNQNDYEU-DOTOQJQBSA-N 2 1 274.408 2.469 20 0 CEADMP CCOc1cccc(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c1 ZINC000897621522 631825343 /nfs/dbraw/zinc/82/53/43/631825343.db2.gz GKNJVCLNQNDYEU-DOTOQJQBSA-N 2 1 274.408 2.469 20 0 CEADMP CCOc1cccc(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c1 ZINC000897621522 631825360 /nfs/dbraw/zinc/82/53/60/631825360.db2.gz GKNJVCLNQNDYEU-DOTOQJQBSA-N 2 1 274.408 2.469 20 0 CEADMP CCOc1cccc(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1 ZINC000897621522 631825366 /nfs/dbraw/zinc/82/53/66/631825366.db2.gz GKNJVCLNQNDYEU-DOTOQJQBSA-N 2 1 274.408 2.469 20 0 CEADMP CCOc1cccc(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1 ZINC000897621522 631825376 /nfs/dbraw/zinc/82/53/76/631825376.db2.gz GKNJVCLNQNDYEU-DOTOQJQBSA-N 2 1 274.408 2.469 20 0 CEADMP COC(=O)C(C)(C)CC[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897982263 632004573 /nfs/dbraw/zinc/00/45/73/632004573.db2.gz ZUPAOYURKLTLGC-UHFFFAOYSA-N 2 1 282.428 2.182 20 0 CEADMP CC(C)C[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000989728462 632232426 /nfs/dbraw/zinc/23/24/26/632232426.db2.gz KXXWTAXSWMYFLK-IYBDPMFKSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+]1CCCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000989728462 632232427 /nfs/dbraw/zinc/23/24/27/632232427.db2.gz KXXWTAXSWMYFLK-IYBDPMFKSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+]1CCCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000989728462 632232431 /nfs/dbraw/zinc/23/24/31/632232431.db2.gz KXXWTAXSWMYFLK-IYBDPMFKSA-N 2 1 295.471 2.050 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1c2ccccc2C[C@H]1C)C[NH+](C)C ZINC000926960744 632388164 /nfs/dbraw/zinc/38/81/64/632388164.db2.gz HGQMDEZEDRCAJN-UNEWFSDZSA-N 2 1 276.424 2.476 20 0 CEADMP Fc1ccc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000811468476 632388544 /nfs/dbraw/zinc/38/85/44/632388544.db2.gz SQUPYHPHOZBPGX-VXGBXAGGSA-N 2 1 268.763 2.173 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924752656 632741542 /nfs/dbraw/zinc/74/15/42/632741542.db2.gz OIYAMOSBCYIQLY-QWHCGFSZSA-N 2 1 263.385 2.170 20 0 CEADMP C[C@@H](NC(=[NH2+])NC[C@H]1[N@@H+](C)CCCC1(C)C)C1CC1 ZINC000899271864 632769136 /nfs/dbraw/zinc/76/91/36/632769136.db2.gz QVMXSCZYIRONSA-DGCLKSJQSA-N 2 1 266.433 2.019 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000816648194 633457233 /nfs/dbraw/zinc/45/72/33/633457233.db2.gz GKRJYOZGQQYWKD-KBPBESRZSA-N 2 1 262.397 2.467 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000817043690 633577853 /nfs/dbraw/zinc/57/78/53/633577853.db2.gz ORCHDUHFGNQQIV-KRWDZBQOSA-N 2 1 295.471 2.053 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000817043690 633577861 /nfs/dbraw/zinc/57/78/61/633577861.db2.gz ORCHDUHFGNQQIV-KRWDZBQOSA-N 2 1 295.471 2.053 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000817043690 633577865 /nfs/dbraw/zinc/57/78/65/633577865.db2.gz ORCHDUHFGNQQIV-KRWDZBQOSA-N 2 1 295.471 2.053 20 0 CEADMP C[C@H](O)c1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)s1 ZINC000817864633 633746909 /nfs/dbraw/zinc/74/69/09/633746909.db2.gz BGMDKNQDVUGWCC-BJDJZHNGSA-N 2 1 283.441 2.002 20 0 CEADMP C[C@H](O)c1ncc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)s1 ZINC000817864633 633746915 /nfs/dbraw/zinc/74/69/15/633746915.db2.gz BGMDKNQDVUGWCC-BJDJZHNGSA-N 2 1 283.441 2.002 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(-n3ccnc3)nc2)C[C@@H]1C[NH3+] ZINC000817865623 633747703 /nfs/dbraw/zinc/74/77/03/633747703.db2.gz MEJSYVVCBKSDKS-FMKPAKJESA-N 2 1 299.422 2.073 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000817891899 633754207 /nfs/dbraw/zinc/75/42/07/633754207.db2.gz PKNYLEXTXYHWPS-IJEWVQPXSA-N 2 1 274.408 2.358 20 0 CEADMP CCc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[nH]n1 ZINC000817892849 633755529 /nfs/dbraw/zinc/75/55/29/633755529.db2.gz QCPMAPPYXWTAAP-OWCLPIDISA-N 2 1 276.428 2.373 20 0 CEADMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817892813 633755988 /nfs/dbraw/zinc/75/59/88/633755988.db2.gz PVBRTIVJKXGZLI-GVDBMIGSSA-N 2 1 298.386 2.463 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000817893653 633756037 /nfs/dbraw/zinc/75/60/37/633756037.db2.gz HVZYHPBZLVYWSP-JKSUJKDBSA-N 2 1 287.407 2.173 20 0 CEADMP COc1ccccc1[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817892814 633756078 /nfs/dbraw/zinc/75/60/78/633756078.db2.gz PVBRTIVJKXGZLI-IXDOHACOSA-N 2 1 298.386 2.463 20 0 CEADMP CC(C)(C)c1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817894895 633757125 /nfs/dbraw/zinc/75/71/25/633757125.db2.gz SEWPGHWKBSOASL-ARFHVFGLSA-N 2 1 276.424 2.487 20 0 CEADMP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817949699 633794528 /nfs/dbraw/zinc/79/45/28/633794528.db2.gz SEOKCCPVVBBOSL-CYBMUJFWSA-N 2 1 272.396 2.255 20 0 CEADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900688359 633809347 /nfs/dbraw/zinc/80/93/47/633809347.db2.gz HNJFQMGEIJVUQW-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+]2C(C)(C)C)C[C@@H]1C ZINC000900797884 633855212 /nfs/dbraw/zinc/85/52/12/633855212.db2.gz BPGUIJACVBKXIA-KKUMJFAQSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C[C@@H]1C ZINC000900797884 633855218 /nfs/dbraw/zinc/85/52/18/633855218.db2.gz BPGUIJACVBKXIA-KKUMJFAQSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C[C@@H]1C ZINC000900797884 633855224 /nfs/dbraw/zinc/85/52/24/633855224.db2.gz BPGUIJACVBKXIA-KKUMJFAQSA-N 2 1 295.471 2.190 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000818965297 634019702 /nfs/dbraw/zinc/01/97/02/634019702.db2.gz HBZPQDKZJJCENM-WBMJQRKESA-N 2 1 291.370 2.290 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)c1ccc(F)cc1C ZINC000818968333 634021930 /nfs/dbraw/zinc/02/19/30/634021930.db2.gz RAROQSIXXXUKCU-INIZCTEOSA-N 2 1 291.370 2.352 20 0 CEADMP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000818973307 634022625 /nfs/dbraw/zinc/02/26/25/634022625.db2.gz UVFLMGXTPDBSAN-BLLLJJGKSA-N 2 1 294.826 2.447 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1)C1CC1 ZINC000819362732 634155442 /nfs/dbraw/zinc/15/54/42/634155442.db2.gz QSYWTAIQFVLVQU-MRXNPFEDSA-N 2 1 298.377 2.462 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000819363748 634155583 /nfs/dbraw/zinc/15/55/83/634155583.db2.gz ZBEHZTGGSRNHCG-KRWDZBQOSA-N 2 1 276.424 2.492 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000819366310 634157441 /nfs/dbraw/zinc/15/74/41/634157441.db2.gz NHKSZQWBILMUCF-WBMJQRKESA-N 2 1 298.377 2.320 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902790128 634834540 /nfs/dbraw/zinc/83/45/40/634834540.db2.gz MJMPIAFRHYDITA-QAYFICHLSA-N 2 1 289.423 2.231 20 0 CEADMP C([NH2+]C1C[C@H]2CCC[C@@H]2C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000902793931 634836560 /nfs/dbraw/zinc/83/65/60/634836560.db2.gz OXRAEDUAQMCLDO-RRCSTGOVSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+]C1C[C@H]2CCC[C@@H]2C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000902793931 634836561 /nfs/dbraw/zinc/83/65/61/634836561.db2.gz OXRAEDUAQMCLDO-RRCSTGOVSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCCOC1 ZINC000903071753 634966922 /nfs/dbraw/zinc/96/69/22/634966922.db2.gz AYSHNBLKKPMMEM-WPXLMEDKSA-N 2 1 264.413 2.160 20 0 CEADMP CC1(O)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903106766 634972680 /nfs/dbraw/zinc/97/26/80/634972680.db2.gz JQZQEYYDHOQIBX-FHFCWBRESA-N 2 1 278.440 2.427 20 0 CEADMP CC[C@@H](C)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903097197 634977333 /nfs/dbraw/zinc/97/73/33/634977333.db2.gz QKNRNIJFWLUDNT-SITCHJJWSA-N 2 1 266.429 2.141 20 0 CEADMP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CC1 ZINC000903127263 634983016 /nfs/dbraw/zinc/98/30/16/634983016.db2.gz HNKRIOTUXULBIO-YPAMNDHTSA-N 2 1 264.413 2.159 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCCOCC1)C2 ZINC000903132204 634985236 /nfs/dbraw/zinc/98/52/36/634985236.db2.gz NSEPYAZKASAKNQ-WYQXTGKHSA-N 2 1 264.413 2.303 20 0 CEADMP FC(F)(F)OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903159194 634992925 /nfs/dbraw/zinc/99/29/25/634992925.db2.gz WWMGOVAIFDKFAZ-CLYYMRHHSA-N 2 1 278.318 2.270 20 0 CEADMP CO[C@H]1CCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000903166169 634995887 /nfs/dbraw/zinc/99/58/87/634995887.db2.gz VTOWITDKRDXKBW-WUCCLRPBSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903185116 635002575 /nfs/dbraw/zinc/00/25/75/635002575.db2.gz HNZQBVOXCCDOIE-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)[C@H]2CCC[C@H]21 ZINC000903261549 635034093 /nfs/dbraw/zinc/03/40/93/635034093.db2.gz ZYVFGLZMJGVMLA-JKJDWNRSSA-N 2 1 264.413 2.016 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2cccc(F)c2)[C@@H](C)C1 ZINC000903311720 635060679 /nfs/dbraw/zinc/06/06/79/635060679.db2.gz VWBGDPBMYYKOAW-RRQGHBQHSA-N 2 1 294.414 2.353 20 0 CEADMP COCC[N@@H+](CCCc1ccccc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903433204 635115567 /nfs/dbraw/zinc/11/55/67/635115567.db2.gz UUOZUTFOKMYXMS-AEFFLSMTSA-N 2 1 290.451 2.423 20 0 CEADMP Cn1nccc1[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903459756 635125384 /nfs/dbraw/zinc/12/53/84/635125384.db2.gz ZBTQCFHCYWCAHB-IPYPFGDCSA-N 2 1 262.401 2.075 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[NH+]2Cc3cc(F)c(F)cc3C2)C1 ZINC000903463899 635127900 /nfs/dbraw/zinc/12/79/00/635127900.db2.gz RHGKSHKHKJZRSS-JOYOIKCWSA-N 2 1 252.308 2.408 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCNC[C@H]2c2cccc(Cl)c2)C1 ZINC000903453042 635137145 /nfs/dbraw/zinc/13/71/45/635137145.db2.gz XIFOAUJIKPBZCN-MAZHCROVSA-N 2 1 293.842 2.414 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCNC[C@H]2c2cccc(Cl)c2)C1 ZINC000903453042 635137148 /nfs/dbraw/zinc/13/71/48/635137148.db2.gz XIFOAUJIKPBZCN-MAZHCROVSA-N 2 1 293.842 2.414 20 0 CEADMP [NH3+]C[C@@H]([NH2+]CCc1ccns1)C1CCCCC1 ZINC000903454742 635137924 /nfs/dbraw/zinc/13/79/24/635137924.db2.gz IVIWAGACBPSILQ-CYBMUJFWSA-N 2 1 253.415 2.183 20 0 CEADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)OC1 ZINC000903472600 635142546 /nfs/dbraw/zinc/14/25/46/635142546.db2.gz SVVCKVRQRBHGOW-CHWSQXEVSA-N 2 1 252.402 2.066 20 0 CEADMP c1cc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)cc2c1OCC2 ZINC000903470542 635142803 /nfs/dbraw/zinc/14/28/03/635142803.db2.gz NMHKIEOOVGXUQG-INIZCTEOSA-N 2 1 272.392 2.038 20 0 CEADMP O=C(CC[NH2+][C@H]1CC[NH2+]C12CCCC2)NC1CCCCC1 ZINC000903485761 635151579 /nfs/dbraw/zinc/15/15/79/635151579.db2.gz PZQZGFDNLACQPC-HNNXBMFYSA-N 2 1 293.455 2.090 20 0 CEADMP Cc1nc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)no1 ZINC000903491149 635157348 /nfs/dbraw/zinc/15/73/48/635157348.db2.gz XMRLBSWBJFNXOK-OAHLLOKOSA-N 2 1 298.390 2.013 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903496826 635157820 /nfs/dbraw/zinc/15/78/20/635157820.db2.gz GEMQJJCLUUEJCV-IUODEOHRSA-N 2 1 275.396 2.062 20 0 CEADMP Cn1ccc([C@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000903563441 635163416 /nfs/dbraw/zinc/16/34/16/635163416.db2.gz CQWZVQYUHBBHTM-INIZCTEOSA-N 2 1 290.455 2.379 20 0 CEADMP Cn1nccc1[C@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903566325 635164530 /nfs/dbraw/zinc/16/45/30/635164530.db2.gz PQIHPPDOUSWCBL-GOSISDBHSA-N 2 1 296.418 2.403 20 0 CEADMP CC(C)c1nnc2n1CC[N@@H+](CCC1CC[NH2+]CC1)[C@H]2C ZINC000903577918 635169755 /nfs/dbraw/zinc/16/97/55/635169755.db2.gz YKHAOFVPIPYKCG-ZDUSSCGKSA-N 2 1 291.443 2.168 20 0 CEADMP CC(C)c1nnc2n1CC[N@H+](CCC1CC[NH2+]CC1)[C@H]2C ZINC000903577918 635169761 /nfs/dbraw/zinc/16/97/61/635169761.db2.gz YKHAOFVPIPYKCG-ZDUSSCGKSA-N 2 1 291.443 2.168 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000903708224 635229936 /nfs/dbraw/zinc/22/99/36/635229936.db2.gz PEYSKKFLIKDPAX-CQSZACIVSA-N 2 1 254.443 2.204 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717276 635232352 /nfs/dbraw/zinc/23/23/52/635232352.db2.gz MFYBNDYKYVCMFG-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP CC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCCCC1 ZINC000903717370 635232569 /nfs/dbraw/zinc/23/25/69/635232569.db2.gz PEMPFLOGDSJIMI-HOTGVXAUSA-N 2 1 266.429 2.410 20 0 CEADMP CC1CCC([N@@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903718363 635233892 /nfs/dbraw/zinc/23/38/92/635233892.db2.gz LEWFYGBZCOXXPK-QDIHITRGSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCCC1 ZINC000903723216 635235934 /nfs/dbraw/zinc/23/59/34/635235934.db2.gz FURIIQZHZDJTPW-JKSUJKDBSA-N 2 1 266.429 2.408 20 0 CEADMP CCC(CC)[N@@H+](CCOC)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722728 635236046 /nfs/dbraw/zinc/23/60/46/635236046.db2.gz OGLMHMOWMLADQX-INIZCTEOSA-N 2 1 298.471 2.282 20 0 CEADMP CC(C)[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCCC1 ZINC000903723213 635236539 /nfs/dbraw/zinc/23/65/39/635236539.db2.gz FURIIQZHZDJTPW-CVEARBPZSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@@H+](CCCc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723938 635237461 /nfs/dbraw/zinc/23/74/61/635237461.db2.gz JOHWQICQCOBQGU-ZWKOTPCHSA-N 2 1 288.435 2.320 20 0 CEADMP CC[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903723687 635237534 /nfs/dbraw/zinc/23/75/34/635237534.db2.gz XZSRMJTUYNWOAM-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000903725606 635238377 /nfs/dbraw/zinc/23/83/77/635238377.db2.gz DODNCQXWNZQBRH-UGUYLWEFSA-N 2 1 264.413 2.020 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1C ZINC000903725874 635238478 /nfs/dbraw/zinc/23/84/78/635238478.db2.gz INTWEEILTFHBLH-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H]1C1CCC1 ZINC000903725510 635238737 /nfs/dbraw/zinc/23/87/37/635238737.db2.gz BTXDSESWFIBSED-JYJNAYRXSA-N 2 1 264.413 2.020 20 0 CEADMP CC(C)[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729682 635240808 /nfs/dbraw/zinc/24/08/08/635240808.db2.gz QMMDYOTXFKNVDM-JYJNAYRXSA-N 2 1 266.429 2.266 20 0 CEADMP CC1(C)C[N@@H+](C[C@@H]2CCCC[NH2+]C2)C(C)(C)CO1 ZINC000903729583 635241078 /nfs/dbraw/zinc/24/10/78/635241078.db2.gz PCKWYDOENYOTRD-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)(C)C[N@@H+](CCCO)C[C@@H]1CCCC[NH2+]C1 ZINC000903729710 635241220 /nfs/dbraw/zinc/24/12/20/635241220.db2.gz RDIKNXAUPMOJKC-CQSZACIVSA-N 2 1 256.434 2.107 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)c1ccccc1 ZINC000903729773 635242134 /nfs/dbraw/zinc/24/21/34/635242134.db2.gz RPPMQJLMZBMYBQ-BPQIPLTHSA-N 2 1 288.435 2.491 20 0 CEADMP FCCn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000903749622 635247539 /nfs/dbraw/zinc/24/75/39/635247539.db2.gz NBORTZAUBWJZLY-JKSUJKDBSA-N 2 1 294.418 2.064 20 0 CEADMP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000903750290 635247674 /nfs/dbraw/zinc/24/76/74/635247674.db2.gz WXUCKFORZBYQJJ-LSDHHAIUSA-N 2 1 282.428 2.027 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCOC1CCSCC1 ZINC000903749882 635247799 /nfs/dbraw/zinc/24/77/99/635247799.db2.gz RJKIENMRQDTGLQ-CYBMUJFWSA-N 2 1 272.458 2.102 20 0 CEADMP Fc1ccc(N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000903733581 635250426 /nfs/dbraw/zinc/25/04/26/635250426.db2.gz NYCQVAHYGOBWBB-OAHLLOKOSA-N 2 1 291.414 2.337 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000903739179 635252639 /nfs/dbraw/zinc/25/26/39/635252639.db2.gz DMGGYFQIBKZQLT-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH2+]C2)[C@H]1c1ccccc1 ZINC000903760775 635256252 /nfs/dbraw/zinc/25/62/52/635256252.db2.gz YKXIXJBLGOCVIP-BPQIPLTHSA-N 2 1 287.451 2.411 20 0 CEADMP CN1CC[C@H]([NH2+]C[C@@H]2CCCC[NH2+]C2)[C@H]1c1ccccc1 ZINC000903760775 635256258 /nfs/dbraw/zinc/25/62/58/635256258.db2.gz YKXIXJBLGOCVIP-BPQIPLTHSA-N 2 1 287.451 2.411 20 0 CEADMP OCCC[N@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]C1 ZINC000903762871 635256807 /nfs/dbraw/zinc/25/68/07/635256807.db2.gz GAERCHIXNIZNTK-KRWDZBQOSA-N 2 1 276.424 2.261 20 0 CEADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000903763034 635257220 /nfs/dbraw/zinc/25/72/20/635257220.db2.gz HDCUKQSWCSFNOE-YHUYYLMFSA-N 2 1 264.413 2.020 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903766896 635258212 /nfs/dbraw/zinc/25/82/12/635258212.db2.gz CMVFAJTVWGTIMA-WYUUTHIRSA-N 2 1 280.334 2.298 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903766896 635258215 /nfs/dbraw/zinc/25/82/15/635258215.db2.gz CMVFAJTVWGTIMA-WYUUTHIRSA-N 2 1 280.334 2.298 20 0 CEADMP COc1ccc2c(c1)CC[N@@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903765466 635258572 /nfs/dbraw/zinc/25/85/72/635258572.db2.gz HTCJXSPCYLMVQP-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903765466 635258576 /nfs/dbraw/zinc/25/85/76/635258576.db2.gz HTCJXSPCYLMVQP-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP CC(C)(C)n1cc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)nn1 ZINC000903790827 635261998 /nfs/dbraw/zinc/26/19/98/635261998.db2.gz CGKPJRPOGXMMSS-UHFFFAOYSA-N 2 1 293.459 2.230 20 0 CEADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903785893 635269506 /nfs/dbraw/zinc/26/95/06/635269506.db2.gz AOTSSGULSUIHQK-ZOBUZTSGSA-N 2 1 296.455 2.035 20 0 CEADMP C(C[N@H+]1CC[NH2+]CCC12CCOCC2)C1CCCC1 ZINC000903818156 635273644 /nfs/dbraw/zinc/27/36/44/635273644.db2.gz YTRKHBQUTOZYKI-UHFFFAOYSA-N 2 1 266.429 2.411 20 0 CEADMP COC(=O)CC1(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)CC1 ZINC000903811089 635285309 /nfs/dbraw/zinc/28/53/09/635285309.db2.gz JNMQRQWPOZWWPZ-AWEZNQCLSA-N 2 1 294.439 2.313 20 0 CEADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903813200 635286033 /nfs/dbraw/zinc/28/60/33/635286033.db2.gz YXAAAJWZNMCIQO-ZNMIVQPWSA-N 2 1 294.439 2.169 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)C1 ZINC000903812981 635286548 /nfs/dbraw/zinc/28/65/48/635286548.db2.gz WRUCUIQQUAHSEC-QLFBSQMISA-N 2 1 266.429 2.395 20 0 CEADMP CCn1nnc(C)c1C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812628 635286731 /nfs/dbraw/zinc/28/67/31/635286731.db2.gz UXPVHUMKIAVOHY-HNNXBMFYSA-N 2 1 291.443 2.090 20 0 CEADMP CCn1nnc(C)c1C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812628 635286734 /nfs/dbraw/zinc/28/67/34/635286734.db2.gz UXPVHUMKIAVOHY-HNNXBMFYSA-N 2 1 291.443 2.090 20 0 CEADMP Cc1noc(C[C@@H]2CCC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)n1 ZINC000903825342 635293359 /nfs/dbraw/zinc/29/33/59/635293359.db2.gz ZIIXKVDHBMAHIR-LSDHHAIUSA-N 2 1 292.427 2.022 20 0 CEADMP Cc1cccc(C)c1C[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903827802 635294571 /nfs/dbraw/zinc/29/45/71/635294571.db2.gz XKIHKADFJUJGPX-OAHLLOKOSA-N 2 1 274.408 2.114 20 0 CEADMP C(C[N@H+]1CCCSC[C@@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000903826959 635294582 /nfs/dbraw/zinc/29/45/82/635294582.db2.gz PCVKCBHAYNZXAV-TZMCWYRMSA-N 2 1 254.443 2.204 20 0 CEADMP c1csc(C[C@@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903831339 635295693 /nfs/dbraw/zinc/29/56/93/635295693.db2.gz IMRXXQURDPAJER-KGLIPLIRSA-N 2 1 279.453 2.397 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)C2 ZINC000903839790 635299505 /nfs/dbraw/zinc/29/95/05/635299505.db2.gz NLYFGDWFPHEMKG-RJRAAQABSA-N 2 1 256.340 2.089 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc3c(c1)COC3)C2 ZINC000903842800 635301224 /nfs/dbraw/zinc/30/12/24/635301224.db2.gz VFAUHGLIQOOTPZ-MAZHCROVSA-N 2 1 258.365 2.028 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000903843831 635302430 /nfs/dbraw/zinc/30/24/30/635302430.db2.gz UNAGVEKJSNKGFE-ZOBUZTSGSA-N 2 1 282.391 2.184 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+])c1ccccc1 ZINC000903859011 635310345 /nfs/dbraw/zinc/31/03/45/635310345.db2.gz KXLJXTHPRZILBQ-ARFHVFGLSA-N 2 1 260.381 2.187 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+])c1ccccc1 ZINC000903859011 635310351 /nfs/dbraw/zinc/31/03/51/635310351.db2.gz KXLJXTHPRZILBQ-ARFHVFGLSA-N 2 1 260.381 2.187 20 0 CEADMP C[C@]1(C2CC2)COCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000903881540 635325216 /nfs/dbraw/zinc/32/52/16/635325216.db2.gz GSSFAJKOOVOHBB-MRXNPFEDSA-N 2 1 266.429 2.267 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903897226 635331573 /nfs/dbraw/zinc/33/15/73/635331573.db2.gz GFMUMDUVTDFZKU-HUUCEWRRSA-N 2 1 297.393 2.175 20 0 CEADMP C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903895828 635331776 /nfs/dbraw/zinc/33/17/76/635331776.db2.gz QEVGWRWRBQZKPD-BBRMVZONSA-N 2 1 274.408 2.068 20 0 CEADMP C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1n1ccnc1 ZINC000903900144 635335236 /nfs/dbraw/zinc/33/52/36/635335236.db2.gz ZOZGZUWQVIBESK-UCHQMPSGSA-N 2 1 288.439 2.297 20 0 CEADMP Oc1ccc2c(c1)C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000903904262 635338723 /nfs/dbraw/zinc/33/87/23/635338723.db2.gz STWGEYLJJCRYHN-SFESLNEESA-N 2 1 272.392 2.281 20 0 CEADMP CCC[C@H]1CCCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903908487 635342935 /nfs/dbraw/zinc/34/29/35/635342935.db2.gz JWNJNPYZYOEMTQ-LSDHHAIUSA-N 2 1 291.443 2.357 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1ccccc1Cn1cccn1)CC(F)F ZINC000903924241 635352829 /nfs/dbraw/zinc/35/28/29/635352829.db2.gz AFYDYANENCBFSU-CQSZACIVSA-N 2 1 294.349 2.004 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cccc3c2CC[NH2+]C3)CCCCC1 ZINC000903915846 635364018 /nfs/dbraw/zinc/36/40/18/635364018.db2.gz CIERJEHYPDYYKG-UHFFFAOYSA-N 3 1 273.424 2.084 20 0 CEADMP Cc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903954810 635387613 /nfs/dbraw/zinc/38/76/13/635387613.db2.gz GTADIZZYVNGYNV-ZDUSSCGKSA-N 2 1 254.324 2.329 20 0 CEADMP COCc1cccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955539 635389753 /nfs/dbraw/zinc/38/97/53/635389753.db2.gz UWAAHATVSRDKHV-CQSZACIVSA-N 2 1 284.350 2.167 20 0 CEADMP CN(C)c1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955443 635389766 /nfs/dbraw/zinc/38/97/66/635389766.db2.gz RSLXCNXHIGNPAM-ZDUSSCGKSA-N 2 1 283.366 2.087 20 0 CEADMP CC(C)(C)CC[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971793 635390616 /nfs/dbraw/zinc/39/06/16/635390616.db2.gz FCCDDEWGGVMGAT-CYBMUJFWSA-N 2 1 254.418 2.171 20 0 CEADMP Cn1ccc([C@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903988608 635407080 /nfs/dbraw/zinc/40/70/80/635407080.db2.gz UIPFOVBURANFSP-PNRVRQOCSA-N 2 1 288.439 2.130 20 0 CEADMP COc1cccc2c1CC[N@H+](C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000904331186 635576481 /nfs/dbraw/zinc/57/64/81/635576481.db2.gz DYOQDVLETTVDAC-KRWDZBQOSA-N 2 1 274.408 2.443 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000904331186 635576485 /nfs/dbraw/zinc/57/64/85/635576485.db2.gz DYOQDVLETTVDAC-KRWDZBQOSA-N 2 1 274.408 2.443 20 0 CEADMP CC(C)(C)[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC000904346928 635582604 /nfs/dbraw/zinc/58/26/04/635582604.db2.gz ZUNVVGNEDHOLQJ-YCPHGPKFSA-N 2 1 268.445 2.105 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCC[NH2+]C1 ZINC000904350309 635584000 /nfs/dbraw/zinc/58/40/00/635584000.db2.gz KRBYMYLSYQASSB-ULQDDVLXSA-N 3 1 279.472 2.088 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCC[NH2+]C1 ZINC000904350307 635584047 /nfs/dbraw/zinc/58/40/47/635584047.db2.gz KRBYMYLSYQASSB-BBWFWOEESA-N 3 1 279.472 2.088 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C[C@@H]1C[NH3+] ZINC000904371551 635593718 /nfs/dbraw/zinc/59/37/18/635593718.db2.gz QIFBIWVZJABVNZ-CJNGLKHVSA-N 2 1 274.408 2.428 20 0 CEADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]([NH3+])C2)C1)C1CCCC1 ZINC000904384691 635607406 /nfs/dbraw/zinc/60/74/06/635607406.db2.gz MCUUTIWAZSTQIH-TXCZRRACSA-N 3 1 279.472 2.343 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@H]3CSC[C@H]3C2)CCC[NH2+]C1 ZINC000904385393 635608642 /nfs/dbraw/zinc/60/86/42/635608642.db2.gz XGLKMLDVGZNTFL-MJBXVCDLSA-N 2 1 254.443 2.061 20 0 CEADMP CO[C@@]1(C(F)(F)F)CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904385724 635608745 /nfs/dbraw/zinc/60/87/45/635608745.db2.gz CRYOKMNMFGRXKW-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP CO[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904385724 635608747 /nfs/dbraw/zinc/60/87/47/635608747.db2.gz CRYOKMNMFGRXKW-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP COCCCOc1cccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000904406793 635613715 /nfs/dbraw/zinc/61/37/15/635613715.db2.gz WFZLLYAXKCASLU-HNNXBMFYSA-N 2 1 292.423 2.273 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2scnc2C2CC2)CC[C@@H]1C[NH3+] ZINC000904409816 635615417 /nfs/dbraw/zinc/61/54/17/635615417.db2.gz JAXUUYKYHAYVBP-ZYHUDNBSSA-N 2 1 265.426 2.437 20 0 CEADMP CCc1ncc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)s1 ZINC000904410791 635616191 /nfs/dbraw/zinc/61/61/91/635616191.db2.gz IJXLVULVEIQQPE-GHMZBOCLSA-N 2 1 253.415 2.122 20 0 CEADMP Cc1cccn2c(C[N@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cnc12 ZINC000904411608 635619494 /nfs/dbraw/zinc/61/94/94/635619494.db2.gz OCDZEYNYJCQFPD-UONOGXRCSA-N 2 1 272.396 2.059 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCO3)CC[C@H]1C[NH3+] ZINC000904412032 635620554 /nfs/dbraw/zinc/62/05/54/635620554.db2.gz ZVUFCRDPLZTDTO-CJNGLKHVSA-N 2 1 274.408 2.428 20 0 CEADMP C[C@@]1(C[NH+]2CCC(CO)(C(F)(F)F)CC2)CCC[NH2+]C1 ZINC000904429062 635623947 /nfs/dbraw/zinc/62/39/47/635623947.db2.gz WAKMCDROFAVUGA-GFCCVEGCSA-N 2 1 294.361 2.013 20 0 CEADMP COC1(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)CCCC1 ZINC000904430262 635625448 /nfs/dbraw/zinc/62/54/48/635625448.db2.gz QHDQJSXOUOOHPY-AWEZNQCLSA-N 2 1 252.402 2.164 20 0 CEADMP COC1(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)CCCC1 ZINC000904430262 635625453 /nfs/dbraw/zinc/62/54/53/635625453.db2.gz QHDQJSXOUOOHPY-AWEZNQCLSA-N 2 1 252.402 2.164 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)CCO1 ZINC000904429905 635625574 /nfs/dbraw/zinc/62/55/74/635625574.db2.gz BCXMYHYWKVYTFI-XHSDSOJGSA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)CCO1 ZINC000904429905 635625578 /nfs/dbraw/zinc/62/55/78/635625578.db2.gz BCXMYHYWKVYTFI-XHSDSOJGSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000825404287 635632094 /nfs/dbraw/zinc/63/20/94/635632094.db2.gz KYPHLPLSBURJLJ-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000904449802 635640615 /nfs/dbraw/zinc/64/06/15/635640615.db2.gz OGBLLQMDSHUBEF-UHFFFAOYSA-N 2 1 260.259 2.166 20 0 CEADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)[NH+](C)C ZINC000826665792 635806090 /nfs/dbraw/zinc/80/60/90/635806090.db2.gz BFMKPDZRVBIJQC-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@](O)(C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C(F)(F)F ZINC000905156625 635832713 /nfs/dbraw/zinc/83/27/13/635832713.db2.gz UYJFWMQNODFGPA-WOPDTQHZSA-N 2 1 282.350 2.152 20 0 CEADMP Cc1cccc([C@@H](O)C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000905279441 636205800 /nfs/dbraw/zinc/20/58/00/636205800.db2.gz IRTAJXZGYDNIBQ-KRWDZBQOSA-N 2 1 276.424 2.492 20 0 CEADMP CCN(C)[C@@H](c1nc(C2([NH3+])CC2)no1)c1ccccc1 ZINC000905321205 636218055 /nfs/dbraw/zinc/21/80/55/636218055.db2.gz DYCAIWNDNUYMCM-GFCCVEGCSA-N 2 1 272.352 2.059 20 0 CEADMP Cc1nc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(Nc2ccccc2)[nH+]1 ZINC000905646772 636381604 /nfs/dbraw/zinc/38/16/04/636381604.db2.gz BKALZWRJCMOBFW-GASCZTMLSA-N 2 1 295.390 2.469 20 0 CEADMP CC[C@@H](C)[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C(=O)OC ZINC000905763221 636449267 /nfs/dbraw/zinc/44/92/67/636449267.db2.gz LSJKUIDWSPUGPW-IUODEOHRSA-N 2 1 282.428 2.038 20 0 CEADMP CC(C)CC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000828011254 636485275 /nfs/dbraw/zinc/48/52/75/636485275.db2.gz AJEKZHMJCNUZSD-GOEBONIOSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)CC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000828011254 636485280 /nfs/dbraw/zinc/48/52/80/636485280.db2.gz AJEKZHMJCNUZSD-GOEBONIOSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CC([NH3+])C1 ZINC000906509196 636760961 /nfs/dbraw/zinc/76/09/61/636760961.db2.gz AAQOWDQFVHZMON-UHFFFAOYSA-N 2 1 270.380 2.068 20 0 CEADMP COc1sc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1Br ZINC000906516316 636764129 /nfs/dbraw/zinc/76/41/29/636764129.db2.gz COMIFJCCDXGNEW-LJGSYFOKSA-N 2 1 291.214 2.099 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCc2ccccc21 ZINC000909089142 637600676 /nfs/dbraw/zinc/60/06/76/637600676.db2.gz UTJPZQFPDBFFBN-WBVHZDCISA-N 2 1 274.408 2.062 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCc2ccccc21 ZINC000909089142 637600681 /nfs/dbraw/zinc/60/06/81/637600681.db2.gz UTJPZQFPDBFFBN-WBVHZDCISA-N 2 1 274.408 2.062 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000834423379 637825494 /nfs/dbraw/zinc/82/54/94/637825494.db2.gz PJRPBQQXPHUODT-UHFFFAOYSA-N 2 1 297.487 2.347 20 0 CEADMP COc1cnc(F)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000876811864 650442738 /nfs/dbraw/zinc/44/27/38/650442738.db2.gz HNIIQLVDSPISSE-SWLSCSKDSA-N 2 1 293.386 2.145 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000912719379 639001935 /nfs/dbraw/zinc/00/19/35/639001935.db2.gz XPXLVAPLEPTQEG-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000912719379 639001938 /nfs/dbraw/zinc/00/19/38/639001938.db2.gz XPXLVAPLEPTQEG-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000912719379 639001940 /nfs/dbraw/zinc/00/19/40/639001940.db2.gz XPXLVAPLEPTQEG-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCC([NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000876897615 650477824 /nfs/dbraw/zinc/47/78/24/650477824.db2.gz FSZCWGVSRATIMD-UHFFFAOYSA-N 2 1 299.459 2.221 20 0 CEADMP C[C@H](C(=O)N1CCC(C)([NH+](C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000913397750 639271716 /nfs/dbraw/zinc/27/17/16/639271716.db2.gz FNUPKXHIIGXNLV-QLFBSQMISA-N 2 1 295.471 2.190 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCN(Cc3ccccc3)CC2)C1 ZINC000323808042 639425400 /nfs/dbraw/zinc/42/54/00/639425400.db2.gz KUHFHBXXZYPPEK-ZWKOTPCHSA-N 2 1 287.451 2.322 20 0 CEADMP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000157330095 639481110 /nfs/dbraw/zinc/48/11/10/639481110.db2.gz KYSKDGAPAFGECG-WCXIOVBPSA-N 2 1 271.408 2.348 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000226396699 639542186 /nfs/dbraw/zinc/54/21/86/639542186.db2.gz DIUZHWBLUFPMHO-OAHLLOKOSA-N 2 1 284.444 2.035 20 0 CEADMP CCOC(=O)N[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000842476104 640074852 /nfs/dbraw/zinc/07/48/52/640074852.db2.gz GTAVUQSLUWLYFK-CQSZACIVSA-N 2 1 285.432 2.106 20 0 CEADMP CC(C)Cn1nccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000842667948 640142974 /nfs/dbraw/zinc/14/29/74/640142974.db2.gz JUUZSRCOIAOBBV-AWEZNQCLSA-N 2 1 276.428 2.113 20 0 CEADMP CC(C)Cn1nccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000842667948 640142978 /nfs/dbraw/zinc/14/29/78/640142978.db2.gz JUUZSRCOIAOBBV-AWEZNQCLSA-N 2 1 276.428 2.113 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000929781339 640190239 /nfs/dbraw/zinc/19/02/39/640190239.db2.gz VVBBPGWHQWXISQ-GDBMZVCRSA-N 2 1 296.455 2.382 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000929781339 640190241 /nfs/dbraw/zinc/19/02/41/640190241.db2.gz VVBBPGWHQWXISQ-GDBMZVCRSA-N 2 1 296.455 2.382 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)[nH]c1C ZINC000877073889 650560355 /nfs/dbraw/zinc/56/03/55/650560355.db2.gz VBNZZBQIWNMKEK-OCCSQVGLSA-N 2 1 293.411 2.072 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@@H](C[NH3+])C2)o1 ZINC000843047105 640251484 /nfs/dbraw/zinc/25/14/84/640251484.db2.gz OBAIGFBRXFVEMA-ZDUSSCGKSA-N 2 1 288.395 2.159 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@@H](C[NH3+])C2)o1 ZINC000843047105 640251488 /nfs/dbraw/zinc/25/14/88/640251488.db2.gz OBAIGFBRXFVEMA-ZDUSSCGKSA-N 2 1 288.395 2.159 20 0 CEADMP CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843128319 640294399 /nfs/dbraw/zinc/29/43/99/640294399.db2.gz VUYXXOHMAKWRCK-TXEJJXNPSA-N 2 1 296.846 2.067 20 0 CEADMP C[N@H+](Cc1nnc(C2CC2)n1C1CC1)C1CCC([NH3+])CC1 ZINC000843354627 640400495 /nfs/dbraw/zinc/40/04/95/640400495.db2.gz FVSAGECSHNOPFN-UHFFFAOYSA-N 2 1 289.427 2.192 20 0 CEADMP C[N@@H+](Cc1nnc(C2CC2)n1C1CC1)C1CCC([NH3+])CC1 ZINC000843354627 640400499 /nfs/dbraw/zinc/40/04/99/640400499.db2.gz FVSAGECSHNOPFN-UHFFFAOYSA-N 2 1 289.427 2.192 20 0 CEADMP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354968 640401513 /nfs/dbraw/zinc/40/15/13/640401513.db2.gz HIMOTGNSXPLFQX-LBDPXKHJSA-N 2 1 295.471 2.225 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843363299 640405845 /nfs/dbraw/zinc/40/58/45/640405845.db2.gz VSFPTFCNBUPJAF-CVEARBPZSA-N 3 1 267.461 2.360 20 0 CEADMP CC[C@H](C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015499113 640411907 /nfs/dbraw/zinc/41/19/07/640411907.db2.gz NPPWCOGNEOCSTJ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843386003 640411998 /nfs/dbraw/zinc/41/19/98/640411998.db2.gz AULZKJZCVIEDEK-ZNMIVQPWSA-N 2 1 282.428 2.040 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCCCCC[NH3+] ZINC000843513043 640447665 /nfs/dbraw/zinc/44/76/65/640447665.db2.gz SAELYTUXAIYDJW-CYBMUJFWSA-N 2 1 280.416 2.032 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCCCC[NH3+] ZINC000843513045 640447993 /nfs/dbraw/zinc/44/79/93/640447993.db2.gz SAELYTUXAIYDJW-ZDUSSCGKSA-N 2 1 280.416 2.032 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001015597581 640505578 /nfs/dbraw/zinc/50/55/78/640505578.db2.gz VKUQWGHMHCVGMR-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001015597581 640505582 /nfs/dbraw/zinc/50/55/82/640505582.db2.gz VKUQWGHMHCVGMR-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597581 640505585 /nfs/dbraw/zinc/50/55/85/640505585.db2.gz VKUQWGHMHCVGMR-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H](CNC(=O)CCCCCC[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000844172256 640623294 /nfs/dbraw/zinc/62/32/94/640623294.db2.gz SFAREYZGSGZCME-GJZGRUSLSA-N 2 1 283.460 2.275 20 0 CEADMP Cc1ccnc(NC(=O)C[N@@H+](C)CCCCCCC[NH3+])c1 ZINC000844221900 640635670 /nfs/dbraw/zinc/63/56/70/640635670.db2.gz NTILRUYYZLBMIE-UHFFFAOYSA-N 2 1 292.427 2.170 20 0 CEADMP CC[N@H+](CCc1ccccn1)CC[C@H]1CCC[NH2+]C1 ZINC000844222129 640635999 /nfs/dbraw/zinc/63/59/99/640635999.db2.gz VXRQIJJRDNMSSH-OAHLLOKOSA-N 2 1 261.413 2.336 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCNc2ccccc2)[C@@H](C)C1 ZINC000766514122 640688250 /nfs/dbraw/zinc/68/82/50/640688250.db2.gz FWHOSNDTTNHMQV-HOCLYGCPSA-N 2 1 261.413 2.418 20 0 CEADMP Cc1ccccc1C1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCC1 ZINC000844352253 640689118 /nfs/dbraw/zinc/68/91/18/640689118.db2.gz WMGQWDZYVKYJMR-MRXNPFEDSA-N 2 1 288.435 2.421 20 0 CEADMP CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000846015231 641153663 /nfs/dbraw/zinc/15/36/63/641153663.db2.gz UVARGHDWIVHVPY-DGCLKSJQSA-N 2 1 285.457 2.091 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000846220816 641229647 /nfs/dbraw/zinc/22/96/47/641229647.db2.gz VKPCXEBOORZQIH-MRXNPFEDSA-N 3 1 267.461 2.456 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000846219996 641229833 /nfs/dbraw/zinc/22/98/33/641229833.db2.gz IIISXHXAGQQMLJ-AYHJJNSGSA-N 3 1 285.435 2.177 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000846219996 641229842 /nfs/dbraw/zinc/22/98/42/641229842.db2.gz IIISXHXAGQQMLJ-AYHJJNSGSA-N 2 1 285.435 2.177 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000847005805 641518693 /nfs/dbraw/zinc/51/86/93/641518693.db2.gz UYKZKHSVRKTKHQ-GOSISDBHSA-N 2 1 299.418 2.119 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000847005805 641518696 /nfs/dbraw/zinc/51/86/96/641518696.db2.gz UYKZKHSVRKTKHQ-GOSISDBHSA-N 2 1 299.418 2.119 20 0 CEADMP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252711271 641583044 /nfs/dbraw/zinc/58/30/44/641583044.db2.gz JCBMMJRHAKXKKD-XOKHGSTOSA-N 2 1 292.398 2.210 20 0 CEADMP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252711271 641583047 /nfs/dbraw/zinc/58/30/47/641583047.db2.gz JCBMMJRHAKXKKD-XOKHGSTOSA-N 2 1 292.398 2.210 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H]1COc2ccccc2O1 ZINC000070149699 641636783 /nfs/dbraw/zinc/63/67/83/641636783.db2.gz BZUIRKXQCXNMSN-KGLIPLIRSA-N 2 1 276.380 2.030 20 0 CEADMP C[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C[NH+]1CCCCC1 ZINC000925486043 641770240 /nfs/dbraw/zinc/77/02/40/641770240.db2.gz PZAFQGLVVOCYNW-YVSFHVDLSA-N 3 1 293.499 2.475 20 0 CEADMP Cc1c(Cl)cccc1N1CC[NH+](CCC[NH3+])CC1 ZINC000082574115 642010935 /nfs/dbraw/zinc/01/09/35/642010935.db2.gz LJCHXCZSCXPAEY-UHFFFAOYSA-N 2 1 267.804 2.119 20 0 CEADMP CC(C)(C)SCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848534188 642038845 /nfs/dbraw/zinc/03/88/45/642038845.db2.gz NXHABHDJPZFKFA-CQSZACIVSA-N 2 1 286.485 2.361 20 0 CEADMP Cn1c(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cnc1Cl ZINC000848538980 642042282 /nfs/dbraw/zinc/04/22/82/642042282.db2.gz BZBMLQWZWRLUQQ-MNOVXSKESA-N 2 1 270.808 2.036 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C2(C)CC=CC2)s1 ZINC000848560707 642053594 /nfs/dbraw/zinc/05/35/94/642053594.db2.gz JVCYKGMYGQPCAS-UHFFFAOYSA-N 2 1 251.399 2.403 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(F)cnc2Cl)C1 ZINC000848719717 642111912 /nfs/dbraw/zinc/11/19/12/642111912.db2.gz DKASXDIHPNOXGN-QWRGUYRKSA-N 2 1 257.740 2.234 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000996748206 642131826 /nfs/dbraw/zinc/13/18/26/642131826.db2.gz KIASKICIERQNLV-INIZCTEOSA-N 2 1 295.471 2.096 20 0 CEADMP c1nn(CC2CCC2)cc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000921528352 642208434 /nfs/dbraw/zinc/20/84/34/642208434.db2.gz SYJVPQMXLRFWPI-HNNXBMFYSA-N 2 1 288.439 2.257 20 0 CEADMP c1nn(CC2CCC2)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000921528352 642208438 /nfs/dbraw/zinc/20/84/38/642208438.db2.gz SYJVPQMXLRFWPI-HNNXBMFYSA-N 2 1 288.439 2.257 20 0 CEADMP c1nn(CC2CCC2)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000921528352 642208439 /nfs/dbraw/zinc/20/84/39/642208439.db2.gz SYJVPQMXLRFWPI-HNNXBMFYSA-N 2 1 288.439 2.257 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])NCCc1cccs1 ZINC000848987584 642208677 /nfs/dbraw/zinc/20/86/77/642208677.db2.gz IUWCLHBZELXGBG-CYBMUJFWSA-N 2 1 294.468 2.279 20 0 CEADMP C[C@H](CNC(=[NH2+])NC1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000848987138 642209296 /nfs/dbraw/zinc/20/92/96/642209296.db2.gz JZYWUICSLJAOCD-CHWSQXEVSA-N 2 1 266.433 2.163 20 0 CEADMP CCNC(=[NH2+])NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848990056 642211029 /nfs/dbraw/zinc/21/10/29/642211029.db2.gz VNLRTRCXZHWXMI-GDBMZVCRSA-N 2 1 288.439 2.421 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])NC2CCC2)c1 ZINC000848996797 642216780 /nfs/dbraw/zinc/21/67/80/642216780.db2.gz DKXYCWUWHQLRAU-UHFFFAOYSA-N 2 1 274.412 2.305 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(C)cs1 ZINC000849035999 642247584 /nfs/dbraw/zinc/24/75/84/642247584.db2.gz TZDGBZKHXIZRQQ-LBPRGKRZSA-N 2 1 280.441 2.155 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])NCCc1cccs1 ZINC000849046278 642255906 /nfs/dbraw/zinc/25/59/06/642255906.db2.gz AYOOUTSEALOASG-UHFFFAOYSA-N 2 1 296.484 2.382 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])NCCc1ccccc1 ZINC000849047317 642256857 /nfs/dbraw/zinc/25/68/57/642256857.db2.gz UYCYHOZHSLHVLV-UHFFFAOYSA-N 2 1 290.455 2.321 20 0 CEADMP C[C@@H]1Cc2cc(C[NH2+][C@@H]3CCc4[nH+]ccn4C3)ccc2O1 ZINC000921633765 642290450 /nfs/dbraw/zinc/29/04/50/642290450.db2.gz RGGWQOIKKWEQLS-IUODEOHRSA-N 2 1 283.375 2.311 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(Cc3cc4c(cc[nH]c4=O)o3)C2)C1 ZINC000877546449 650780032 /nfs/dbraw/zinc/78/00/32/650780032.db2.gz SLYYTIHHWJYQGZ-INIZCTEOSA-N 2 1 287.363 2.061 20 0 CEADMP O=c1[nH]c2cccc(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)c2o1 ZINC000922025876 642847360 /nfs/dbraw/zinc/84/73/60/642847360.db2.gz QFBVQMNUHGLQEO-LLVKDONJSA-N 2 1 298.346 2.082 20 0 CEADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1cccc3c1OCC3)C2 ZINC000922026663 642847762 /nfs/dbraw/zinc/84/77/62/642847762.db2.gz WBZHAPOFZAJRDZ-ZDUSSCGKSA-N 2 1 283.375 2.170 20 0 CEADMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@@H]1CC[C@@H]3COCC[C@H]3C1)CC2 ZINC000922064060 642861320 /nfs/dbraw/zinc/86/13/20/642861320.db2.gz RWAWYFQKYPQYCS-QKPAOTATSA-N 2 1 289.423 2.240 20 0 CEADMP COc1cnc(F)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000877584918 650801499 /nfs/dbraw/zinc/80/14/99/650801499.db2.gz LCCOKENLSQADFM-GFCCVEGCSA-N 2 1 281.375 2.051 20 0 CEADMP CS[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000922273763 642994482 /nfs/dbraw/zinc/99/44/82/642994482.db2.gz KGCRPIBATUSWJI-DGCLKSJQSA-N 2 1 253.415 2.226 20 0 CEADMP COc1ccc(C[NH2+]CCc2c[nH+]cn2C)c(C)c1 ZINC000922274507 642996774 /nfs/dbraw/zinc/99/67/74/642996774.db2.gz ZMTLBRWIUCRBQC-UHFFFAOYSA-N 2 1 259.353 2.069 20 0 CEADMP CC[C@H](C)C[NH2+][C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922387936 643056413 /nfs/dbraw/zinc/05/64/13/643056413.db2.gz MZLJVXSZWGQNJA-UYJHQMFVSA-N 2 1 268.445 2.102 20 0 CEADMP Cc1ccoc1C[NH2+][C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922388273 643056678 /nfs/dbraw/zinc/05/66/78/643056678.db2.gz OKRQKTHBOFYZNN-MUIFIZLQSA-N 2 1 292.423 2.157 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOC(F)F)CC1 ZINC000851751918 643146020 /nfs/dbraw/zinc/14/60/20/643146020.db2.gz YXQWBDFTHNMYOS-UHFFFAOYSA-N 2 1 264.360 2.278 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC(F)F)C[C@@H]1C ZINC000851796811 643166930 /nfs/dbraw/zinc/16/69/30/643166930.db2.gz KQLKAKFMRUGFAG-QWRGUYRKSA-N 2 1 250.333 2.030 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC(F)F)C[C@@H]1C ZINC000851796811 643166938 /nfs/dbraw/zinc/16/69/38/643166938.db2.gz KQLKAKFMRUGFAG-QWRGUYRKSA-N 2 1 250.333 2.030 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC(F)F)C[C@@H]1C ZINC000851796811 643166943 /nfs/dbraw/zinc/16/69/43/643166943.db2.gz KQLKAKFMRUGFAG-QWRGUYRKSA-N 2 1 250.333 2.030 20 0 CEADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3nonc3c1)C2 ZINC000852108141 643311972 /nfs/dbraw/zinc/31/19/72/643311972.db2.gz VCSCOVBMDUPQQT-MRXNPFEDSA-N 2 1 286.379 2.141 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3nonc3c1)C2 ZINC000852108141 643311975 /nfs/dbraw/zinc/31/19/75/643311975.db2.gz VCSCOVBMDUPQQT-MRXNPFEDSA-N 2 1 286.379 2.141 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc3nonc3c1)C2 ZINC000852108141 643311978 /nfs/dbraw/zinc/31/19/78/643311978.db2.gz VCSCOVBMDUPQQT-MRXNPFEDSA-N 2 1 286.379 2.141 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc3nonc3c1)C2 ZINC000852108141 643311980 /nfs/dbraw/zinc/31/19/80/643311980.db2.gz VCSCOVBMDUPQQT-MRXNPFEDSA-N 2 1 286.379 2.141 20 0 CEADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCc2cccs2)CC1 ZINC000852122475 643317870 /nfs/dbraw/zinc/31/78/70/643317870.db2.gz NKZXIRYHCXQWPD-UHFFFAOYSA-N 2 1 296.480 2.363 20 0 CEADMP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005642080 643428586 /nfs/dbraw/zinc/42/85/86/643428586.db2.gz GUJSXSCMLVNWLK-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP COCC[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)CC1CC[NH+](C)CC1 ZINC000877664410 650840569 /nfs/dbraw/zinc/84/05/69/650840569.db2.gz OGIVERBUZDESAR-BJWYYQGGSA-N 2 1 280.456 2.323 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCO[C@H](C)C1 ZINC000877664815 650840681 /nfs/dbraw/zinc/84/06/81/650840681.db2.gz XVTWLYHBBOZVMN-WBVHZDCISA-N 2 1 298.471 2.092 20 0 CEADMP CCC[C@@H](C)C[NH+]1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669475 650842695 /nfs/dbraw/zinc/84/26/95/650842695.db2.gz KTAKVMKRFSANLE-BZUAXINKSA-N 3 1 269.477 2.094 20 0 CEADMP Oc1cc(F)c(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000922976936 643492209 /nfs/dbraw/zinc/49/22/09/643492209.db2.gz SCXKYLQLNKZJGA-RYUDHWBXSA-N 2 1 296.361 2.429 20 0 CEADMP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852754341 643537931 /nfs/dbraw/zinc/53/79/31/643537931.db2.gz TYIUKWIZOYZFJT-DZGCQCFKSA-N 2 1 282.428 2.040 20 0 CEADMP [NH3+]CCCCCC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000852856239 643580031 /nfs/dbraw/zinc/58/00/31/643580031.db2.gz WNHIRDZLRYKJJV-AWEZNQCLSA-N 2 1 281.444 2.029 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C=C1CC[NH2+]CC1 ZINC000852863472 643582043 /nfs/dbraw/zinc/58/20/43/643582043.db2.gz OUZUFCXIDYTYLX-MRXNPFEDSA-N 2 1 293.455 2.067 20 0 CEADMP C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)C1SCCS1 ZINC000853022749 643624585 /nfs/dbraw/zinc/62/45/85/643624585.db2.gz DTVXFFWADVJHJT-CYBMUJFWSA-N 2 1 272.483 2.258 20 0 CEADMP C[C@H](N)[C@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923279315 643636279 /nfs/dbraw/zinc/63/62/79/643636279.db2.gz KPYSCONSIFVLSX-NIOBXDJOSA-N 2 1 265.445 2.109 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923279315 643636282 /nfs/dbraw/zinc/63/62/82/643636282.db2.gz KPYSCONSIFVLSX-NIOBXDJOSA-N 2 1 265.445 2.109 20 0 CEADMP C[C@@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303558 643650137 /nfs/dbraw/zinc/65/01/37/643650137.db2.gz GXJSBXSFZPGYDP-STQMWFEESA-N 2 1 278.371 2.197 20 0 CEADMP Clc1cccc2c1CC[N@@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923312957 643652945 /nfs/dbraw/zinc/65/29/45/643652945.db2.gz NYNYCOFXFQPMSI-ZDUSSCGKSA-N 2 1 292.810 2.077 20 0 CEADMP CC[N@@H+](CCC[NH2+]C1CC1)C[C@@H](O)c1ccc(C)cc1 ZINC000923314370 643653668 /nfs/dbraw/zinc/65/36/68/643653668.db2.gz UWKGQJZXDUCGRL-QGZVFWFLSA-N 2 1 276.424 2.492 20 0 CEADMP CC(C)[C@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923316470 643654763 /nfs/dbraw/zinc/65/47/63/643654763.db2.gz UZOCRHNLUMZOHE-LSDHHAIUSA-N 2 1 266.429 2.123 20 0 CEADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317078 643656200 /nfs/dbraw/zinc/65/62/00/643656200.db2.gz YLVBBMYJHWZDTE-NVXWUHKLSA-N 2 1 286.419 2.374 20 0 CEADMP C(C[NH2+]C1CC1)C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000923318309 643656471 /nfs/dbraw/zinc/65/64/71/643656471.db2.gz ZBXYZXLQJXKFJR-UONOGXRCSA-N 2 1 254.443 2.489 20 0 CEADMP C(C[NH2+]C1CC1)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000923318309 643656474 /nfs/dbraw/zinc/65/64/74/643656474.db2.gz ZBXYZXLQJXKFJR-UONOGXRCSA-N 2 1 254.443 2.489 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923333465 643666093 /nfs/dbraw/zinc/66/60/93/643666093.db2.gz QXQSYMCDJKVSKC-GJZGRUSLSA-N 2 1 254.418 2.003 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000923354949 643678619 /nfs/dbraw/zinc/67/86/19/643678619.db2.gz XLJITHYYHOIQSK-LSDHHAIUSA-N 2 1 266.360 2.062 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000923365185 643680718 /nfs/dbraw/zinc/68/07/18/643680718.db2.gz CMVBTLUUMLXEPY-SJORKVTESA-N 2 1 274.408 2.104 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@H]2[C@@H](C)NCC[C@@H]2C)cc1 ZINC000923372940 643683648 /nfs/dbraw/zinc/68/36/48/643683648.db2.gz KJVHNVNVTZOPEU-SJXGUFTOSA-N 2 1 262.397 2.005 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2[C@H](C)CCN[C@H]2C)cc1 ZINC000923372917 643684279 /nfs/dbraw/zinc/68/42/79/643684279.db2.gz KJVHNVNVTZOPEU-OCVGTWLNSA-N 2 1 262.397 2.005 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1C[NH3+] ZINC000923382781 643688426 /nfs/dbraw/zinc/68/84/26/643688426.db2.gz UNCXKNAFRDORAJ-MXSMSXNCSA-N 2 1 290.451 2.285 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000923381633 643688437 /nfs/dbraw/zinc/68/84/37/643688437.db2.gz FTRIFYRWJUJQQB-YRORDHRNSA-N 2 1 298.377 2.303 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000923381633 643688442 /nfs/dbraw/zinc/68/84/42/643688442.db2.gz FTRIFYRWJUJQQB-YRORDHRNSA-N 2 1 298.377 2.303 20 0 CEADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000923389410 643694883 /nfs/dbraw/zinc/69/48/83/643694883.db2.gz AANWFPHQNHOEMO-HZPDHXFCSA-N 2 1 278.440 2.267 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1CCc1cccc(F)c1 ZINC000923415793 643702874 /nfs/dbraw/zinc/70/28/74/643702874.db2.gz QXGMGMSITPJZRE-UHFFFAOYSA-N 2 1 250.361 2.442 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1CCc1cccc(F)c1 ZINC000923415793 643702878 /nfs/dbraw/zinc/70/28/78/643702878.db2.gz QXGMGMSITPJZRE-UHFFFAOYSA-N 2 1 250.361 2.442 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@@H](O)c1ccc(F)cc1F ZINC000923426649 643706067 /nfs/dbraw/zinc/70/60/67/643706067.db2.gz OZXDDFJPONMPOL-OAHLLOKOSA-N 2 1 286.366 2.449 20 0 CEADMP O[C@H](C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000923429178 643708319 /nfs/dbraw/zinc/70/83/19/643708319.db2.gz XFANHODHDIJMPB-IAGOWNOFSA-N 2 1 292.398 2.325 20 0 CEADMP Cc1ccccc1-c1noc(C[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000923487228 643729669 /nfs/dbraw/zinc/72/96/69/643729669.db2.gz BGASKTJENUIKBE-CYBMUJFWSA-N 2 1 286.379 2.216 20 0 CEADMP CCCCc1noc([C@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000923487337 643729933 /nfs/dbraw/zinc/72/99/33/643729933.db2.gz ZUHVCXQCMNDPNI-RYUDHWBXSA-N 2 1 266.389 2.144 20 0 CEADMP C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496495 643734387 /nfs/dbraw/zinc/73/43/87/643734387.db2.gz JANIPEFIJLMMMN-ILXRZTDVSA-N 2 1 299.422 2.245 20 0 CEADMP C[C@H]1C[N@@H+](CCC2SCCS2)CC[C@H]1C[NH3+] ZINC000923488430 643734938 /nfs/dbraw/zinc/73/49/38/643734938.db2.gz FSWSGEXGLVBEKK-QWRGUYRKSA-N 2 1 260.472 2.099 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923489569 643735435 /nfs/dbraw/zinc/73/54/35/643735435.db2.gz YVCFMFPYJRMAJB-HUUCEWRRSA-N 2 1 289.423 2.301 20 0 CEADMP C[C@H]1C[N@@H+](CCc2nc3ccccc3n2C)CC[C@@H]1C[NH3+] ZINC000923497371 643739077 /nfs/dbraw/zinc/73/90/77/643739077.db2.gz DWAIJUKPBQNJRE-UONOGXRCSA-N 2 1 286.423 2.033 20 0 CEADMP C[C@@H]1C[N@H+](Cc2noc(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000923497365 643739199 /nfs/dbraw/zinc/73/91/99/643739199.db2.gz BZSOBUUNXROPCB-OCCSQVGLSA-N 2 1 286.379 2.153 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2noc(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000923497365 643739200 /nfs/dbraw/zinc/73/92/00/643739200.db2.gz BZSOBUUNXROPCB-OCCSQVGLSA-N 2 1 286.379 2.153 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)CC[C@H]1C[NH3+] ZINC000923497650 643739948 /nfs/dbraw/zinc/73/99/48/643739948.db2.gz IBPYDTBRGZRTJF-PWSUYJOCSA-N 2 1 253.777 2.152 20 0 CEADMP CCc1noc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)n1 ZINC000923503974 643742122 /nfs/dbraw/zinc/74/21/22/643742122.db2.gz RXXHSNIMIJQURB-ZDUSSCGKSA-N 2 1 292.427 2.234 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c(F)cccc2F)CC[C@@H]1C[NH3+] ZINC000923501172 643742454 /nfs/dbraw/zinc/74/24/54/643742454.db2.gz XXSORPOLWCUSEZ-WDEREUQCSA-N 2 1 254.324 2.382 20 0 CEADMP CCCCc1noc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923501417 643742531 /nfs/dbraw/zinc/74/25/31/643742531.db2.gz UDUSQJNBJWVGBU-AVGNSLFASA-N 2 1 280.416 2.390 20 0 CEADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000923516060 643747228 /nfs/dbraw/zinc/74/72/28/643747228.db2.gz PQSLUSZSNCHICN-BPLDGKMQSA-N 2 1 289.423 2.157 20 0 CEADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000923516060 643747232 /nfs/dbraw/zinc/74/72/32/643747232.db2.gz PQSLUSZSNCHICN-BPLDGKMQSA-N 2 1 289.423 2.157 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C(C)(C)O1 ZINC000923516008 643747643 /nfs/dbraw/zinc/74/76/43/643747643.db2.gz QOMYKVJSGYQQHY-MJBXVCDLSA-N 2 1 266.429 2.121 20 0 CEADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)s1 ZINC000923518958 643748500 /nfs/dbraw/zinc/74/85/00/643748500.db2.gz HRHVRBXQDUUUDF-GXTWGEPZSA-N 2 1 250.411 2.406 20 0 CEADMP c1c2ccccc2oc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522679 643751863 /nfs/dbraw/zinc/75/18/63/643751863.db2.gz YFDDVDJNTLIFJK-UONOGXRCSA-N 2 1 256.349 2.474 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)C1CCCC1 ZINC000923534503 643751914 /nfs/dbraw/zinc/75/19/14/643751914.db2.gz UUZSBAZHFMWRKY-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)C1CCCC1 ZINC000923534503 643751918 /nfs/dbraw/zinc/75/19/18/643751918.db2.gz UUZSBAZHFMWRKY-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@]1(Cc2cccs2)CCC[N@H+]1CCOCC[NH3+] ZINC000923529293 643752067 /nfs/dbraw/zinc/75/20/67/643752067.db2.gz CECACQNFIUKIBG-CQSZACIVSA-N 2 1 268.426 2.120 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCCC1CC[NH+](C)CC1 ZINC000111591775 643900269 /nfs/dbraw/zinc/90/02/69/643900269.db2.gz VYKQPKHOSGCSJX-UHFFFAOYSA-N 2 1 297.487 2.347 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CC3CCSCC3)CC[C@@H]21 ZINC000877739823 650882176 /nfs/dbraw/zinc/88/21/76/650882176.db2.gz HKFNGXBSNXJJCM-KBPBESRZSA-N 2 1 254.443 2.156 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CC3CCSCC3)CC[C@@H]21 ZINC000877739823 650882177 /nfs/dbraw/zinc/88/21/77/650882177.db2.gz HKFNGXBSNXJJCM-KBPBESRZSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CC3CCSCC3)CC[C@@H]21 ZINC000877739823 650882179 /nfs/dbraw/zinc/88/21/79/650882179.db2.gz HKFNGXBSNXJJCM-KBPBESRZSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CC3CCSCC3)CC[C@@H]21 ZINC000877739823 650882182 /nfs/dbraw/zinc/88/21/82/650882182.db2.gz HKFNGXBSNXJJCM-KBPBESRZSA-N 2 1 254.443 2.156 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877741293 650884130 /nfs/dbraw/zinc/88/41/30/650884130.db2.gz AKVGCAPFTBTUGI-GOEBONIOSA-N 2 1 260.381 2.221 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877741293 650884131 /nfs/dbraw/zinc/88/41/31/650884131.db2.gz AKVGCAPFTBTUGI-GOEBONIOSA-N 2 1 260.381 2.221 20 0 CEADMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877741293 650884133 /nfs/dbraw/zinc/88/41/33/650884133.db2.gz AKVGCAPFTBTUGI-GOEBONIOSA-N 2 1 260.381 2.221 20 0 CEADMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877741293 650884139 /nfs/dbraw/zinc/88/41/39/650884139.db2.gz AKVGCAPFTBTUGI-GOEBONIOSA-N 2 1 260.381 2.221 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000877742732 650886988 /nfs/dbraw/zinc/88/69/88/650886988.db2.gz GEGJXEMPMIXMEV-SJLPKXTDSA-N 2 1 296.418 2.398 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000877742732 650886992 /nfs/dbraw/zinc/88/69/92/650886992.db2.gz GEGJXEMPMIXMEV-SJLPKXTDSA-N 2 1 296.418 2.398 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000877742732 650886999 /nfs/dbraw/zinc/88/69/99/650886999.db2.gz GEGJXEMPMIXMEV-SJLPKXTDSA-N 2 1 296.418 2.398 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000877742732 650887005 /nfs/dbraw/zinc/88/70/05/650887005.db2.gz GEGJXEMPMIXMEV-SJLPKXTDSA-N 2 1 296.418 2.398 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000838918110 644068701 /nfs/dbraw/zinc/06/87/01/644068701.db2.gz ACRHWGDQTDPCBQ-AWEZNQCLSA-N 2 1 284.444 2.287 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000838901391 644077406 /nfs/dbraw/zinc/07/74/06/644077406.db2.gz TXAJIVYYKNZNSR-CYBMUJFWSA-N 2 1 295.427 2.397 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000839181418 644181420 /nfs/dbraw/zinc/18/14/20/644181420.db2.gz ICRQZBKUMUOGJG-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC000886286669 644249797 /nfs/dbraw/zinc/24/97/97/644249797.db2.gz AABRFPDVKKAIDX-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC000886286669 644249802 /nfs/dbraw/zinc/24/98/02/644249802.db2.gz AABRFPDVKKAIDX-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC000886612033 644265293 /nfs/dbraw/zinc/26/52/93/644265293.db2.gz AACPEPPXCSGICY-RDBSUJKOSA-N 2 1 270.417 2.038 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC000886612033 644265296 /nfs/dbraw/zinc/26/52/96/644265296.db2.gz AACPEPPXCSGICY-RDBSUJKOSA-N 2 1 270.417 2.038 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000754872031 644444383 /nfs/dbraw/zinc/44/43/83/644444383.db2.gz OHSDYUVPOXYZAJ-UHFFFAOYSA-N 2 1 281.375 2.166 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3cccnc3=S)C2)CC1 ZINC000755782311 644561598 /nfs/dbraw/zinc/56/15/98/644561598.db2.gz ZARHZEOWAZAIJX-CQSZACIVSA-N 2 1 292.452 2.234 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000756933553 644708966 /nfs/dbraw/zinc/70/89/66/644708966.db2.gz SYUAAUNNQHVQHZ-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP C[C@H](CNc1cc[nH+]c(CO)c1)[N@H+]1CCC[C@H](C)C1 ZINC000858350367 645127970 /nfs/dbraw/zinc/12/79/70/645127970.db2.gz TZUZNFNQOCGDNG-QWHCGFSZSA-N 2 1 263.385 2.106 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927059 645655974 /nfs/dbraw/zinc/65/59/74/645655974.db2.gz VLIUZHCCFOYJIM-XWTMOSNGSA-N 2 1 288.435 2.035 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927059 645655977 /nfs/dbraw/zinc/65/59/77/645655977.db2.gz VLIUZHCCFOYJIM-XWTMOSNGSA-N 2 1 288.435 2.035 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927059 645655978 /nfs/dbraw/zinc/65/59/78/645655978.db2.gz VLIUZHCCFOYJIM-XWTMOSNGSA-N 2 1 288.435 2.035 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927059 645655985 /nfs/dbraw/zinc/65/59/85/645655985.db2.gz VLIUZHCCFOYJIM-XWTMOSNGSA-N 2 1 288.435 2.035 20 0 CEADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)C1CC1 ZINC000859996660 645672540 /nfs/dbraw/zinc/67/25/40/645672540.db2.gz DLWMFGBHRWFPKW-QGZVFWFLSA-N 2 1 276.424 2.341 20 0 CEADMP CC[C@@H](C(=O)OCCCn1cc[nH+]c1C)[NH+](CC)CC ZINC000767645002 646017646 /nfs/dbraw/zinc/01/76/46/646017646.db2.gz VQNARLDYRBTHFK-AWEZNQCLSA-N 2 1 281.400 2.245 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2CCOC2)cc1 ZINC000769534078 646283320 /nfs/dbraw/zinc/28/33/20/646283320.db2.gz RETQDZVSDQPFFN-INIZCTEOSA-N 2 1 262.397 2.217 20 0 CEADMP Cc1c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccnc1F ZINC000862347899 646404573 /nfs/dbraw/zinc/40/45/73/646404573.db2.gz SXZAGVIZFSXJPG-ZDUSSCGKSA-N 2 1 295.402 2.120 20 0 CEADMP Cc1c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccnc1F ZINC000862347899 646404582 /nfs/dbraw/zinc/40/45/82/646404582.db2.gz SXZAGVIZFSXJPG-ZDUSSCGKSA-N 2 1 295.402 2.120 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C[NH2+]1 ZINC000863544865 646752706 /nfs/dbraw/zinc/75/27/06/646752706.db2.gz DACIISNYBONCLW-NZEXEKPDSA-N 2 1 272.483 2.096 20 0 CEADMP Cc1ccccc1C[C@@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000773933192 646788007 /nfs/dbraw/zinc/78/80/07/646788007.db2.gz AZHCEDSZSQKLMB-AEFFLSMTSA-N 2 1 290.451 2.315 20 0 CEADMP Cc1ccccc1C[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000773933192 646788011 /nfs/dbraw/zinc/78/80/11/646788011.db2.gz AZHCEDSZSQKLMB-AEFFLSMTSA-N 2 1 290.451 2.315 20 0 CEADMP CC[C@H]1CCN(C(=[NH2+])NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000864455995 647010723 /nfs/dbraw/zinc/01/07/23/647010723.db2.gz DLEPUMACWPHPBS-GJZGRUSLSA-N 2 1 280.460 2.363 20 0 CEADMP CC[C@H]1CCN(C(=[NH2+])NC[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000864459905 647014749 /nfs/dbraw/zinc/01/47/49/647014749.db2.gz PUTPVVMSTYBQME-LSDHHAIUSA-N 2 1 280.460 2.221 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000776167268 647029760 /nfs/dbraw/zinc/02/97/60/647029760.db2.gz LHGDJUANIAHDLS-RDBSUJKOSA-N 2 1 284.494 2.218 20 0 CEADMP Cc1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000777277103 647124605 /nfs/dbraw/zinc/12/46/05/647124605.db2.gz YVOJEWWSHAIUFL-QWHCGFSZSA-N 2 1 262.401 2.351 20 0 CEADMP Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000777277103 647124607 /nfs/dbraw/zinc/12/46/07/647124607.db2.gz YVOJEWWSHAIUFL-QWHCGFSZSA-N 2 1 262.401 2.351 20 0 CEADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)CCO)C1 ZINC000779339662 647313327 /nfs/dbraw/zinc/31/33/27/647313327.db2.gz FCBGFGMTBYGXPF-KGLIPLIRSA-N 2 1 256.434 2.248 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)CCO)C1 ZINC000779339662 647313329 /nfs/dbraw/zinc/31/33/29/647313329.db2.gz FCBGFGMTBYGXPF-KGLIPLIRSA-N 2 1 256.434 2.248 20 0 CEADMP CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000865775065 647459649 /nfs/dbraw/zinc/45/96/49/647459649.db2.gz PYUGDEBXHSVPTK-KBXIAJHMSA-N 2 1 294.439 2.323 20 0 CEADMP CCc1cc(N2CCC[C@H](C[NH+](C)C)C2)nc(C)[nH+]1 ZINC000782136030 647591888 /nfs/dbraw/zinc/59/18/88/647591888.db2.gz REEJVSDEXMGHGA-CYBMUJFWSA-N 2 1 262.401 2.125 20 0 CEADMP CCOCOc1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000782950512 647665249 /nfs/dbraw/zinc/66/52/49/647665249.db2.gz PGJABRRGPRVZCY-UHFFFAOYSA-N 2 1 266.385 2.101 20 0 CEADMP C([NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000866229433 647682772 /nfs/dbraw/zinc/68/27/72/647682772.db2.gz PQWOMCHEQMUTPB-JQFCIGGWSA-N 2 1 278.440 2.408 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000866231265 647684787 /nfs/dbraw/zinc/68/47/87/647684787.db2.gz UZBRPYOKEJCVOH-INIZCTEOSA-N 2 1 278.440 2.484 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2cccnc2)C1 ZINC000866237769 647687076 /nfs/dbraw/zinc/68/70/76/647687076.db2.gz LJZIMHNFBBDJSH-HOCLYGCPSA-N 2 1 261.413 2.334 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000783291481 647706585 /nfs/dbraw/zinc/70/65/85/647706585.db2.gz PIEXSIDZXRMFTB-COXVUDFISA-N 2 1 274.408 2.141 20 0 CEADMP C(C[C@@H]1CCSC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000866403830 647775539 /nfs/dbraw/zinc/77/55/39/647775539.db2.gz RMPRWOVHFKGTFT-GDBMZVCRSA-N 2 1 298.496 2.363 20 0 CEADMP CC1(C)CC[C@@H](O)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000866452583 647792646 /nfs/dbraw/zinc/79/26/46/647792646.db2.gz JXMXBSVBODECRU-HUUCEWRRSA-N 2 1 266.429 2.142 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2c3ccccc3CN2C)[C@H](C)C1 ZINC000866561337 647825610 /nfs/dbraw/zinc/82/56/10/647825610.db2.gz CEQHKHLFKZQYDJ-JLSDUUJJSA-N 2 1 287.451 2.493 20 0 CEADMP Cc1cccc([C@@H]2CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)c1 ZINC000784476788 647854255 /nfs/dbraw/zinc/85/42/55/647854255.db2.gz CGGXFOFJTHCNBF-MSOLQXFVSA-N 2 1 288.435 2.241 20 0 CEADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000866659885 647858396 /nfs/dbraw/zinc/85/83/96/647858396.db2.gz WOYULYIQIPLSHZ-GDBMZVCRSA-N 2 1 289.423 2.017 20 0 CEADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000866659885 647858400 /nfs/dbraw/zinc/85/84/00/647858400.db2.gz WOYULYIQIPLSHZ-GDBMZVCRSA-N 2 1 289.423 2.017 20 0 CEADMP C[C@@H]1CCCC[C@H]1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000784534854 647859694 /nfs/dbraw/zinc/85/96/94/647859694.db2.gz PJJOOTYETOCDFJ-SJORKVTESA-N 2 1 281.488 2.430 20 0 CEADMP CC1(C)CC[C@@H](C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)OC1 ZINC000866666779 647861715 /nfs/dbraw/zinc/86/17/15/647861715.db2.gz WFGZDHIBWXBROR-GOEBONIOSA-N 2 1 266.429 2.267 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866696892 647872713 /nfs/dbraw/zinc/87/27/13/647872713.db2.gz AXEOORYWCIDBEW-MRXNPFEDSA-N 2 1 266.429 2.410 20 0 CEADMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702646 647874718 /nfs/dbraw/zinc/87/47/18/647874718.db2.gz DEBVWWXKMSCRNX-DYVFJYSZSA-N 2 1 297.487 2.377 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702578 647875121 /nfs/dbraw/zinc/87/51/21/647875121.db2.gz CUIXFKNHNHKGRG-JJRVBVJISA-N 2 1 297.487 2.377 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)on1 ZINC000866707106 647877862 /nfs/dbraw/zinc/87/78/62/647877862.db2.gz MAUYTGJVECXMHA-CQSZACIVSA-N 2 1 251.374 2.180 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)on1 ZINC000866707106 647877865 /nfs/dbraw/zinc/87/78/65/647877865.db2.gz MAUYTGJVECXMHA-CQSZACIVSA-N 2 1 251.374 2.180 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000866709648 647879214 /nfs/dbraw/zinc/87/92/14/647879214.db2.gz UCRLZNWWZWTHKO-INIZCTEOSA-N 2 1 277.412 2.287 20 0 CEADMP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@@H]2CC[NH2+]C2)no1 ZINC000866715482 647880098 /nfs/dbraw/zinc/88/00/98/647880098.db2.gz OSIQUNHKZNKXPD-AVOUXACISA-N 2 1 290.411 2.088 20 0 CEADMP CCc1noc(C)c1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000788257512 648166463 /nfs/dbraw/zinc/16/64/63/648166463.db2.gz PCJAMBDQSWXALG-JTQLQIEISA-N 2 1 262.357 2.172 20 0 CEADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000788619700 648209126 /nfs/dbraw/zinc/20/91/26/648209126.db2.gz FQUPTVARWAMZKJ-IAGOWNOFSA-N 2 1 276.424 2.428 20 0 CEADMP Cc1c(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cnn1C ZINC000790937102 648462163 /nfs/dbraw/zinc/46/21/63/648462163.db2.gz HKCMWQIHJWNHAU-UHFFFAOYSA-N 2 1 286.423 2.422 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC[NH2+]CC2CC2)C1 ZINC000870867236 648937876 /nfs/dbraw/zinc/93/78/76/648937876.db2.gz JADZQANBWYTULI-OAHLLOKOSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)CC1)[NH+]1CCCCCC1 ZINC000871153180 649012968 /nfs/dbraw/zinc/01/29/68/649012968.db2.gz ATMVPOSZUPDXSZ-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H](C1CC1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000871972981 649232923 /nfs/dbraw/zinc/23/29/23/649232923.db2.gz GMICIASRPBJJNY-YJBOKZPZSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H](C1CC1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000871972981 649232925 /nfs/dbraw/zinc/23/29/25/649232925.db2.gz GMICIASRPBJJNY-YJBOKZPZSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H](C1CC1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000871972981 649232927 /nfs/dbraw/zinc/23/29/27/649232927.db2.gz GMICIASRPBJJNY-YJBOKZPZSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H](C1CC1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000871972981 649232929 /nfs/dbraw/zinc/23/29/29/649232929.db2.gz GMICIASRPBJJNY-YJBOKZPZSA-N 2 1 288.435 2.354 20 0 CEADMP CC1(C)CC[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000871979670 649234970 /nfs/dbraw/zinc/23/49/70/649234970.db2.gz CKDAEXOVCGNPNY-KRWDZBQOSA-N 2 1 274.408 2.108 20 0 CEADMP CC1(C)CC[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000871979670 649234973 /nfs/dbraw/zinc/23/49/73/649234973.db2.gz CKDAEXOVCGNPNY-KRWDZBQOSA-N 2 1 274.408 2.108 20 0 CEADMP CC1(C)CC[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000871979670 649234976 /nfs/dbraw/zinc/23/49/76/649234976.db2.gz CKDAEXOVCGNPNY-KRWDZBQOSA-N 2 1 274.408 2.108 20 0 CEADMP CC1(C)CC[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000871979670 649234979 /nfs/dbraw/zinc/23/49/79/649234979.db2.gz CKDAEXOVCGNPNY-KRWDZBQOSA-N 2 1 274.408 2.108 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CCOCC1 ZINC000872036378 649248939 /nfs/dbraw/zinc/24/89/39/649248939.db2.gz USIVCWAAKDISGH-HUUCEWRRSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000872128469 649286557 /nfs/dbraw/zinc/28/65/57/649286557.db2.gz RFXARZPBISZVFP-XUXIUFHCSA-N 2 1 282.428 2.179 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000872128469 649286560 /nfs/dbraw/zinc/28/65/60/649286560.db2.gz RFXARZPBISZVFP-XUXIUFHCSA-N 2 1 282.428 2.179 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)c1ccccc1 ZINC000872138861 649289229 /nfs/dbraw/zinc/28/92/29/649289229.db2.gz ZXXFAOOWEGHSHW-CVEARBPZSA-N 2 1 262.397 2.182 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1C ZINC000872141908 649291181 /nfs/dbraw/zinc/29/11/81/649291181.db2.gz ZGNNSEOLJDTBOV-HIFRSBDPSA-N 2 1 290.407 2.341 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000872144767 649294484 /nfs/dbraw/zinc/29/44/84/649294484.db2.gz HDVDMAQFWBMRSP-VNHYZAJKSA-N 2 1 254.418 2.108 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)CO2)CC[C@H]1[NH3+] ZINC000872144221 649294823 /nfs/dbraw/zinc/29/48/23/649294823.db2.gz YGHADFSTZFZGJS-MGPQQGTHSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H](C(F)(F)F)O1 ZINC000872154656 649298151 /nfs/dbraw/zinc/29/81/51/649298151.db2.gz VCSXQIRRWCNDOU-CMPLNLGQSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCCC(F)(F)F)C2 ZINC000872154162 649298273 /nfs/dbraw/zinc/29/82/73/649298273.db2.gz PMBDRXRNQJUELU-WDEREUQCSA-N 2 1 250.308 2.260 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCCC(F)(F)F)C2 ZINC000872154162 649298275 /nfs/dbraw/zinc/29/82/75/649298275.db2.gz PMBDRXRNQJUELU-WDEREUQCSA-N 2 1 250.308 2.260 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000872154563 649298500 /nfs/dbraw/zinc/29/85/00/649298500.db2.gz SZDZBDWHRMFFBC-FRRDWIJNSA-N 2 1 294.361 2.418 20 0 CEADMP COc1cc2c(cc1OC)[C@H](C)[N@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000872154759 649298842 /nfs/dbraw/zinc/29/88/42/649298842.db2.gz ADTBYRTZVIIUBT-STQMWFEESA-N 2 1 290.407 2.232 20 0 CEADMP COc1cc2c(cc1OC)[C@H](C)[N@@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000872154759 649298844 /nfs/dbraw/zinc/29/88/44/649298844.db2.gz ADTBYRTZVIIUBT-STQMWFEESA-N 2 1 290.407 2.232 20 0 CEADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000872156028 649299070 /nfs/dbraw/zinc/29/90/70/649299070.db2.gz CTZKGQCCNJKNEZ-YQQAZPJKSA-N 3 1 279.472 2.216 20 0 CEADMP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872155559 649299373 /nfs/dbraw/zinc/29/93/73/649299373.db2.gz QAZDBGPWBVTELW-JKSUJKDBSA-N 2 1 297.487 2.474 20 0 CEADMP C[NH+](C)Cc1cnc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000872253909 649329718 /nfs/dbraw/zinc/32/97/18/649329718.db2.gz MHVPSXFNMRHKEG-GFCCVEGCSA-N 2 1 296.484 2.073 20 0 CEADMP CCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000873200986 649586807 /nfs/dbraw/zinc/58/68/07/649586807.db2.gz IADXUBMYTXPZHA-UHFFFAOYSA-N 3 1 293.480 2.358 20 0 CEADMP CCCN(Cc1cc2c(s1)CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000873200986 649586810 /nfs/dbraw/zinc/58/68/10/649586810.db2.gz IADXUBMYTXPZHA-UHFFFAOYSA-N 2 1 293.480 2.358 20 0 CEADMP c1c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)sc2c1C[NH2+]CC2 ZINC000873207914 649590322 /nfs/dbraw/zinc/59/03/22/649590322.db2.gz GAGHYZLJQKJUCV-OLZOCXBDSA-N 2 1 292.448 2.252 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211078 649590523 /nfs/dbraw/zinc/59/05/23/649590523.db2.gz UMPFRLQITXRQTB-CYBMUJFWSA-N 3 1 279.453 2.097 20 0 CEADMP [NH3+]CC[C@H]1CCCCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211078 649590525 /nfs/dbraw/zinc/59/05/25/649590525.db2.gz UMPFRLQITXRQTB-CYBMUJFWSA-N 2 1 279.453 2.097 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211079 649591032 /nfs/dbraw/zinc/59/10/32/649591032.db2.gz UMPFRLQITXRQTB-ZDUSSCGKSA-N 3 1 279.453 2.097 20 0 CEADMP [NH3+]CC[C@@H]1CCCCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211079 649591033 /nfs/dbraw/zinc/59/10/33/649591033.db2.gz UMPFRLQITXRQTB-ZDUSSCGKSA-N 2 1 279.453 2.097 20 0 CEADMP COc1cccc2cc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)oc21 ZINC000873215175 649593051 /nfs/dbraw/zinc/59/30/51/649593051.db2.gz ALRVVWPVQZRKSY-DGCLKSJQSA-N 2 1 274.364 2.468 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCSCCC(F)(F)F ZINC000873251168 649609319 /nfs/dbraw/zinc/60/93/19/649609319.db2.gz JPUBALPVFHHRPI-UWVGGRQHSA-N 2 1 270.364 2.260 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000873281959 649623866 /nfs/dbraw/zinc/62/38/66/649623866.db2.gz DDHJBNWZFIIEDW-WDEREUQCSA-N 2 1 276.409 2.421 20 0 CEADMP CCOC(C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1)OCC ZINC000124480028 649630055 /nfs/dbraw/zinc/63/00/55/649630055.db2.gz DPRBSFRGHPLLCC-AWEZNQCLSA-N 2 1 272.433 2.049 20 0 CEADMP CCOC(C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1)OCC ZINC000124480028 649630057 /nfs/dbraw/zinc/63/00/57/649630057.db2.gz DPRBSFRGHPLLCC-AWEZNQCLSA-N 2 1 272.433 2.049 20 0 CEADMP CCOC(C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1)OCC ZINC000124480249 649630265 /nfs/dbraw/zinc/63/02/65/649630265.db2.gz DPRBSFRGHPLLCC-CQSZACIVSA-N 2 1 272.433 2.049 20 0 CEADMP CCOC(C[N@H+]1CC[C@H](C[NH+](CC)CC)C1)OCC ZINC000124480249 649630266 /nfs/dbraw/zinc/63/02/66/649630266.db2.gz DPRBSFRGHPLLCC-CQSZACIVSA-N 2 1 272.433 2.049 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CC4(CCC4)CO3)C2)C1 ZINC000878652829 651153091 /nfs/dbraw/zinc/15/30/91/651153091.db2.gz UEPYKSRTDNOWNK-NVXWUHKLSA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3CC4(CCC4)CO3)C2)C1 ZINC000878652829 651153094 /nfs/dbraw/zinc/15/30/94/651153094.db2.gz UEPYKSRTDNOWNK-NVXWUHKLSA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CC4(CCC4)CO3)C2)C1 ZINC000878652833 651153263 /nfs/dbraw/zinc/15/32/63/651153263.db2.gz UEPYKSRTDNOWNK-WBVHZDCISA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CC4(CCC4)CO3)C2)C1 ZINC000878652833 651153265 /nfs/dbraw/zinc/15/32/65/651153265.db2.gz UEPYKSRTDNOWNK-WBVHZDCISA-N 2 1 278.440 2.363 20 0 CEADMP Cc1noc([C@@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC000879247452 651269575 /nfs/dbraw/zinc/26/95/75/651269575.db2.gz ASDSOXLELCEBSS-GFCCVEGCSA-N 2 1 278.400 2.247 20 0 CEADMP O=C1CC[N@@H+](CCC[NH+]2CCCCC2)CCCCCCN1 ZINC000879256041 651271628 /nfs/dbraw/zinc/27/16/28/651271628.db2.gz VMRJIXVPALGUPF-UHFFFAOYSA-N 2 1 295.471 2.245 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879566796 651323268 /nfs/dbraw/zinc/32/32/68/651323268.db2.gz YOSQYDYQKWQRKU-KBPBESRZSA-N 2 1 256.459 2.403 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879566796 651323269 /nfs/dbraw/zinc/32/32/69/651323269.db2.gz YOSQYDYQKWQRKU-KBPBESRZSA-N 2 1 256.459 2.403 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(F)(F)C3)CC[C@@H]21 ZINC000879580070 651326449 /nfs/dbraw/zinc/32/64/49/651326449.db2.gz FCAMMDVMCGIQKA-UPJWGTAASA-N 2 1 258.356 2.448 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(F)(F)C3)CC[C@@H]21 ZINC000879580070 651326450 /nfs/dbraw/zinc/32/64/50/651326450.db2.gz FCAMMDVMCGIQKA-UPJWGTAASA-N 2 1 258.356 2.448 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)CC[C@@H]21 ZINC000879580070 651326451 /nfs/dbraw/zinc/32/64/51/651326451.db2.gz FCAMMDVMCGIQKA-UPJWGTAASA-N 2 1 258.356 2.448 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)CC[C@@H]21 ZINC000879580070 651326452 /nfs/dbraw/zinc/32/64/52/651326452.db2.gz FCAMMDVMCGIQKA-UPJWGTAASA-N 2 1 258.356 2.448 20 0 CEADMP CC(C)C[N@@H+](CCn1cccn1)CC1CC[NH+](C)CC1 ZINC000879702264 651341496 /nfs/dbraw/zinc/34/14/96/651341496.db2.gz IJNXVEGSUCRZSL-UHFFFAOYSA-N 2 1 278.444 2.183 20 0 CEADMP Cc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)on1 ZINC000880259820 651412262 /nfs/dbraw/zinc/41/22/62/651412262.db2.gz JHOBDIVOEIGSAW-CYBMUJFWSA-N 2 1 272.352 2.089 20 0 CEADMP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)on1 ZINC000880259820 651412263 /nfs/dbraw/zinc/41/22/63/651412263.db2.gz JHOBDIVOEIGSAW-CYBMUJFWSA-N 2 1 272.352 2.089 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000882979700 652301582 /nfs/dbraw/zinc/30/15/82/652301582.db2.gz JEOLPNMTBDSSRT-GFCCVEGCSA-N 2 1 275.400 2.464 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1(C)C ZINC000883111806 652366246 /nfs/dbraw/zinc/36/62/46/652366246.db2.gz QFAIVHWXHOLBQC-MUJYYYPQSA-N 2 1 279.472 2.181 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883176145 652389702 /nfs/dbraw/zinc/38/97/02/652389702.db2.gz WUDWJWMUPAIPLB-CQSZACIVSA-N 2 1 266.429 2.146 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883427909 652465884 /nfs/dbraw/zinc/46/58/84/652465884.db2.gz GIABIYJWODZBQU-CVEARBPZSA-N 2 1 296.455 2.166 20 0 CEADMP CCCCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000135361985 652967185 /nfs/dbraw/zinc/96/71/85/652967185.db2.gz DPJVOCUDUGLJFA-HOTGVXAUSA-N 2 1 295.471 2.147 20 0 CEADMP CC(C)CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168029471 805818955 /nfs/dbraw/zinc/81/89/55/805818955.db2.gz FYERAWRHBOVGKX-HOTGVXAUSA-N 2 1 295.471 2.145 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](CCc2cccnc2OC(C)C)C1 ZINC001205001048 805823091 /nfs/dbraw/zinc/82/30/91/805823091.db2.gz NHMCEMAFCNFLPX-HNNXBMFYSA-N 2 1 291.439 2.343 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2cccnc2OC(C)C)C1 ZINC001205001048 805823099 /nfs/dbraw/zinc/82/30/99/805823099.db2.gz NHMCEMAFCNFLPX-HNNXBMFYSA-N 2 1 291.439 2.343 20 0 CEADMP CC(C)=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001271311174 805911762 /nfs/dbraw/zinc/91/17/62/805911762.db2.gz KMARXNZYMYPKMO-CVEARBPZSA-N 2 1 295.471 2.025 20 0 CEADMP CC[N@@H+](C)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001030014642 806350306 /nfs/dbraw/zinc/35/03/06/806350306.db2.gz GFIUXGRZGQQOJB-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001030014732 806350607 /nfs/dbraw/zinc/35/06/07/806350607.db2.gz KFCTUXKARCENEM-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001030014732 806350616 /nfs/dbraw/zinc/35/06/16/806350616.db2.gz KFCTUXKARCENEM-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088563334 806420782 /nfs/dbraw/zinc/42/07/82/806420782.db2.gz MUMVAYUVGOOAKO-PMPSAXMXSA-N 2 1 295.471 2.238 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088563334 806420787 /nfs/dbraw/zinc/42/07/87/806420787.db2.gz MUMVAYUVGOOAKO-PMPSAXMXSA-N 2 1 295.471 2.238 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088563334 806420796 /nfs/dbraw/zinc/42/07/96/806420796.db2.gz MUMVAYUVGOOAKO-PMPSAXMXSA-N 2 1 295.471 2.238 20 0 CEADMP COc1ccc2c(c1)C[C@H]([N@@H+](C)C1CCC([NH3+])CC1)C2 ZINC001168248657 806442143 /nfs/dbraw/zinc/44/21/43/806442143.db2.gz ODVIJGUWUMQEMN-UYSNPLJNSA-N 2 1 274.408 2.364 20 0 CEADMP CC[C@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001042711285 806612627 /nfs/dbraw/zinc/61/26/27/806612627.db2.gz PYMGWDRUBVMWQR-HOCLYGCPSA-N 2 1 295.471 2.048 20 0 CEADMP CCN1CCC([N@@H+](C)C2CCC([NH+](C)C)CC2)CC1 ZINC001168323753 806655008 /nfs/dbraw/zinc/65/50/08/806655008.db2.gz BVHUVEZFUUNGKP-UHFFFAOYSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C2CCC([NH+](C)C)CC2)CC1 ZINC001168323753 806655012 /nfs/dbraw/zinc/65/50/12/806655012.db2.gz BVHUVEZFUUNGKP-UHFFFAOYSA-N 3 1 267.461 2.275 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C2CCC([NH+](C)C)CC2)CC1 ZINC001168323753 806655015 /nfs/dbraw/zinc/65/50/15/806655015.db2.gz BVHUVEZFUUNGKP-UHFFFAOYSA-N 3 1 267.461 2.275 20 0 CEADMP [NH3+]Cc1ccccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168362694 806740126 /nfs/dbraw/zinc/74/01/26/806740126.db2.gz CDBBPEVTDWHCAW-UHFFFAOYSA-N 3 1 273.424 2.109 20 0 CEADMP CC[C@H](C)C[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC001168363555 806756766 /nfs/dbraw/zinc/75/67/66/806756766.db2.gz JKIMOUIPDGCVLZ-AWEZNQCLSA-N 2 1 294.443 2.114 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OC[C@@H]1CCCC[NH+]1C)C2 ZINC001224702957 806905402 /nfs/dbraw/zinc/90/54/02/806905402.db2.gz PPALXGYBWGBCKX-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](OC[C@@H]1CCCC[N@@H+]1C)C2 ZINC001224702957 806905406 /nfs/dbraw/zinc/90/54/06/806905406.db2.gz PPALXGYBWGBCKX-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](OC[C@@H]1CCCC[N@H+]1C)C2 ZINC001224702957 806905408 /nfs/dbraw/zinc/90/54/08/806905408.db2.gz PPALXGYBWGBCKX-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP Cc1ccc([C@@H](C)CC[N@@H+](C)CCN2CC[NH+](C)CC2)o1 ZINC001208169150 802372805 /nfs/dbraw/zinc/37/28/05/802372805.db2.gz QROVCXIQJALMHO-HNNXBMFYSA-N 2 1 293.455 2.261 20 0 CEADMP Cc1cc(C[NH+]2CCN(CC[NH+](C)C)CC2)cc(C)c1F ZINC001143377001 802469864 /nfs/dbraw/zinc/46/98/64/802469864.db2.gz MOWFTWADTQPRIZ-UHFFFAOYSA-N 2 1 293.430 2.122 20 0 CEADMP CC[N@H+](CC=C(C)C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001266390627 802516015 /nfs/dbraw/zinc/51/60/15/802516015.db2.gz FNJGTPSSVMHPQR-INIZCTEOSA-N 2 1 295.471 2.264 20 0 CEADMP CC[NH+](CC=C(C)C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266390627 802516017 /nfs/dbraw/zinc/51/60/17/802516017.db2.gz FNJGTPSSVMHPQR-INIZCTEOSA-N 2 1 295.471 2.264 20 0 CEADMP CC[NH+](CC=C(C)C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001266390627 802516020 /nfs/dbraw/zinc/51/60/20/802516020.db2.gz FNJGTPSSVMHPQR-INIZCTEOSA-N 2 1 295.471 2.264 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000693011119 802528818 /nfs/dbraw/zinc/52/88/18/802528818.db2.gz WAWSHAQILBGFFY-DZGCQCFKSA-N 2 1 259.397 2.390 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000693011119 802528824 /nfs/dbraw/zinc/52/88/24/802528824.db2.gz WAWSHAQILBGFFY-DZGCQCFKSA-N 2 1 259.397 2.390 20 0 CEADMP C[N@H+]1CC[C@H](Nc2ccc(F)c(-n3ccnc3)c2)C1 ZINC001167281324 802630710 /nfs/dbraw/zinc/63/07/10/802630710.db2.gz UNCDRZJPEKYUOR-LBPRGKRZSA-N 2 1 260.316 2.127 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000721443888 802776761 /nfs/dbraw/zinc/77/67/61/802776761.db2.gz JJXQUVDDIDTSCL-SDDRHHMPSA-N 2 1 280.334 2.300 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000721443888 802776766 /nfs/dbraw/zinc/77/67/66/802776766.db2.gz JJXQUVDDIDTSCL-SDDRHHMPSA-N 2 1 280.334 2.300 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CC[C@H](C(F)(F)F)O1)C2 ZINC000721466251 802835266 /nfs/dbraw/zinc/83/52/66/802835266.db2.gz KVUUSMKDXIUUIJ-RVMXOQNASA-N 2 1 292.345 2.157 20 0 CEADMP CN(CC[NH2+]CCCC(C)(C)C)C(=O)C[N@@H+](C)C1CCC1 ZINC001266726180 802867975 /nfs/dbraw/zinc/86/79/75/802867975.db2.gz KHQPJUIAHCDXOP-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP CC[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)CCO1 ZINC001170195890 812343628 /nfs/dbraw/zinc/34/36/28/812343628.db2.gz LIGQMHWWNNFVGQ-ZACQAIPSSA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)CCO1 ZINC001170195890 812343634 /nfs/dbraw/zinc/34/36/34/812343634.db2.gz LIGQMHWWNNFVGQ-ZACQAIPSSA-N 2 1 296.455 2.035 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000723691300 802924902 /nfs/dbraw/zinc/92/49/02/802924902.db2.gz LNNGQFBCNTUEOP-SECBINFHSA-N 2 1 258.287 2.275 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]CCc2c[nH]c3ccccc23)C[NH2+]1 ZINC000398994796 802932207 /nfs/dbraw/zinc/93/22/07/802932207.db2.gz OKRBVPZWRNFECM-JSGCOSHPSA-N 2 1 257.381 2.441 20 0 CEADMP COC[C@@]12CCCO[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001207280438 803120168 /nfs/dbraw/zinc/12/01/68/803120168.db2.gz SCNSDTXEMWTICM-WBVHZDCISA-N 2 1 298.471 2.092 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001207283645 803128445 /nfs/dbraw/zinc/12/84/45/803128445.db2.gz BJYXSRSPQQTNCF-AWEZNQCLSA-N 2 1 261.413 2.459 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000690742466 803161832 /nfs/dbraw/zinc/16/18/32/803161832.db2.gz XASSWSJJXQKJEG-SNVBAGLBSA-N 2 1 284.201 2.015 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000690742466 803161834 /nfs/dbraw/zinc/16/18/34/803161834.db2.gz XASSWSJJXQKJEG-SNVBAGLBSA-N 2 1 284.201 2.015 20 0 CEADMP C[C@@]1(C(F)(F)F)C[N@H+](CCCCCC[NH3+])CCO1 ZINC000712824281 814838578 /nfs/dbraw/zinc/83/85/78/814838578.db2.gz ASYLCUFHHGPPGZ-NSHDSACASA-N 2 1 268.323 2.159 20 0 CEADMP C[C@@]1(C(F)(F)F)C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000712824281 814838582 /nfs/dbraw/zinc/83/85/82/814838582.db2.gz ASYLCUFHHGPPGZ-NSHDSACASA-N 2 1 268.323 2.159 20 0 CEADMP COc1cccc([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC001207441641 803620480 /nfs/dbraw/zinc/62/04/80/803620480.db2.gz HUXVLHODVUBULU-INIZCTEOSA-N 2 1 274.408 2.484 20 0 CEADMP C([C@H]1CC[C@@H](C2CC2)O1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000715404431 814954408 /nfs/dbraw/zinc/95/44/08/814954408.db2.gz RRHHLPSYIYDLNW-PMPSAXMXSA-N 2 1 264.413 2.020 20 0 CEADMP CC/C=C/CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267743953 803699236 /nfs/dbraw/zinc/69/92/36/803699236.db2.gz BHTPMIBDYYOWFE-LLYBFZRZSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267776370 803728412 /nfs/dbraw/zinc/72/84/12/803728412.db2.gz JXRJIFWJSRIBMT-LWULTOEVSA-N 2 1 295.471 2.216 20 0 CEADMP C[C@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)CCC1=O ZINC001207479985 803736002 /nfs/dbraw/zinc/73/60/02/803736002.db2.gz RFQWBOMFIOKFJG-ZDUSSCGKSA-N 2 1 252.402 2.019 20 0 CEADMP CCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105066726 803765872 /nfs/dbraw/zinc/76/58/72/803765872.db2.gz CUFIQQZWRLJHAY-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP CCCCN1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207485186 803793380 /nfs/dbraw/zinc/79/33/80/803793380.db2.gz TZVNGZQLBWISCK-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCCNc1c[nH+]c2c(c1)CCCN2 ZINC001167754517 803840673 /nfs/dbraw/zinc/84/06/73/803840673.db2.gz RWVOCOBIDHNOFR-AWEZNQCLSA-N 2 1 288.439 2.404 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNc1c[nH+]c2c(c1)CCCN2 ZINC001167754517 803840683 /nfs/dbraw/zinc/84/06/83/803840683.db2.gz RWVOCOBIDHNOFR-AWEZNQCLSA-N 2 1 288.439 2.404 20 0 CEADMP C[N@@H+](C[C@@H]1CC[C@@H](C2CC2)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000715539205 814973639 /nfs/dbraw/zinc/97/36/39/814973639.db2.gz YJBRWPFAFRQEOP-YKUJZXIWSA-N 2 1 264.413 2.159 20 0 CEADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc2ccccc2nc1OC ZINC001118018709 814976962 /nfs/dbraw/zinc/97/69/62/814976962.db2.gz IYMPATOXBWBOLI-GFCCVEGCSA-N 2 1 273.380 2.331 20 0 CEADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]CCC(C)(C)C ZINC001268015650 803939050 /nfs/dbraw/zinc/93/90/50/803939050.db2.gz QJWIUVJCMOXMTP-AWEZNQCLSA-N 2 1 285.476 2.105 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1F ZINC001118180948 814991159 /nfs/dbraw/zinc/99/11/59/814991159.db2.gz QNIUVPMWQVFRCF-GFCCVEGCSA-N 2 1 266.360 2.395 20 0 CEADMP CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027795374 804263100 /nfs/dbraw/zinc/26/31/00/804263100.db2.gz UFAHYZFDOODTEA-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001027919649 804342816 /nfs/dbraw/zinc/34/28/16/804342816.db2.gz ZFAMRDQIPSTEQM-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001027919649 804342823 /nfs/dbraw/zinc/34/28/23/804342823.db2.gz ZFAMRDQIPSTEQM-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001027919649 804342829 /nfs/dbraw/zinc/34/28/29/804342829.db2.gz ZFAMRDQIPSTEQM-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP COc1cccc(CCC[N@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001207573195 804364781 /nfs/dbraw/zinc/36/47/81/804364781.db2.gz ZNWKAKIYZVBFGB-UHFFFAOYSA-N 2 1 285.391 2.383 20 0 CEADMP COc1cccc(CCC[N@@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001207573195 804364788 /nfs/dbraw/zinc/36/47/88/804364788.db2.gz ZNWKAKIYZVBFGB-UHFFFAOYSA-N 2 1 285.391 2.383 20 0 CEADMP CCOC(=O)CC[N@@H+](C)[C@@H](C)CCC[NH+](CC)CC ZINC001167825941 804386970 /nfs/dbraw/zinc/38/69/70/804386970.db2.gz LTMHACIESGRBBK-AWEZNQCLSA-N 2 1 272.433 2.382 20 0 CEADMP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268093489 804419443 /nfs/dbraw/zinc/41/94/43/804419443.db2.gz IXEHBLZVJMTGHB-LSDHHAIUSA-N 2 1 297.487 2.201 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001167836773 804429798 /nfs/dbraw/zinc/42/97/98/804429798.db2.gz GYPDAAWOZYPHCS-QKPAOTATSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(C(C)=O)[C@@H](C)C1 ZINC001167839801 804435772 /nfs/dbraw/zinc/43/57/72/804435772.db2.gz BYNMIOCYRRBKLY-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H](O)CC1CCCC1 ZINC000300072966 804617102 /nfs/dbraw/zinc/61/71/02/804617102.db2.gz YGPDNOBIWXYHGF-HUUCEWRRSA-N 2 1 254.418 2.131 20 0 CEADMP C[C@@H](CC[NH2+]CC1CCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268394970 804649696 /nfs/dbraw/zinc/64/96/96/804649696.db2.gz OKHGCHAVWNUCFL-DZKIICNBSA-N 2 1 295.471 2.001 20 0 CEADMP O[C@]1(CF)CCC[N@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168374358 806981768 /nfs/dbraw/zinc/98/17/68/806981768.db2.gz ZTUAROOFSHQQHC-MRXNPFEDSA-N 2 1 284.419 2.047 20 0 CEADMP O[C@@]1(CF)CCC[N@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168374356 806982039 /nfs/dbraw/zinc/98/20/39/806982039.db2.gz ZTUAROOFSHQQHC-INIZCTEOSA-N 2 1 284.419 2.047 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CCC(C)C ZINC001268962141 805012874 /nfs/dbraw/zinc/01/28/74/805012874.db2.gz MTFQLEGCXLKYCY-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP CCCCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001269159405 805067720 /nfs/dbraw/zinc/06/77/20/805067720.db2.gz CPPKDLZPUCINSZ-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CO[C@@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168387755 807045017 /nfs/dbraw/zinc/04/50/17/807045017.db2.gz SKCFTGQKSQDMAD-MRXNPFEDSA-N 2 1 266.429 2.362 20 0 CEADMP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001269411909 805157198 /nfs/dbraw/zinc/15/71/98/805157198.db2.gz XKZVWABRQOPHRE-OAHLLOKOSA-N 2 1 295.471 2.288 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721780075 805410709 /nfs/dbraw/zinc/41/07/09/805410709.db2.gz XCSWBXBRDNQTGL-RFQIPJPRSA-N 2 1 254.418 2.310 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CCCC1CCC1 ZINC001270477982 805447110 /nfs/dbraw/zinc/44/71/10/805447110.db2.gz JRYMDKOITPUWCH-GOEBONIOSA-N 2 1 295.471 2.003 20 0 CEADMP O=C1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167971214 805499694 /nfs/dbraw/zinc/49/96/94/805499694.db2.gz SRTPNYKRPHULLV-WZYMTQMTSA-N 2 1 276.424 2.493 20 0 CEADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@@]1(C)O ZINC001167984800 805537138 /nfs/dbraw/zinc/53/71/38/805537138.db2.gz RVLIOVLYVNOSQN-WUOJDRAKSA-N 2 1 292.467 2.485 20 0 CEADMP CC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001029107678 805538397 /nfs/dbraw/zinc/53/83/97/805538397.db2.gz CVBVHQXRVMQICU-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCCN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167985501 805543280 /nfs/dbraw/zinc/54/32/80/805543280.db2.gz WYXMVMGXVYZRPF-JWTNVVGKSA-N 2 1 291.483 2.419 20 0 CEADMP CC[NH+]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167985501 805543281 /nfs/dbraw/zinc/54/32/81/805543281.db2.gz WYXMVMGXVYZRPF-JWTNVVGKSA-N 2 1 291.483 2.419 20 0 CEADMP CC[NH+]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167985501 805543284 /nfs/dbraw/zinc/54/32/84/805543284.db2.gz WYXMVMGXVYZRPF-JWTNVVGKSA-N 2 1 291.483 2.419 20 0 CEADMP C(C1CC1)[NH+]1CCC([N@H+]2CCC3(C2)CCOCC3)CC1 ZINC001168391077 807056372 /nfs/dbraw/zinc/05/63/72/807056372.db2.gz LQMGDEMSQXONHB-UHFFFAOYSA-N 2 1 278.440 2.363 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168399494 807085189 /nfs/dbraw/zinc/08/51/89/807085189.db2.gz BQXBLPGQOHQHNC-BLLLJJGKSA-N 2 1 262.372 2.224 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C[C@@H]1C[NH3+] ZINC000716300294 815110782 /nfs/dbraw/zinc/11/07/82/815110782.db2.gz DYZBQBCUEGEBHJ-QLFBSQMISA-N 2 1 266.429 2.252 20 0 CEADMP CC[NH+](CC)CCC(=O)N1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001272400990 807457076 /nfs/dbraw/zinc/45/70/76/807457076.db2.gz IYEIDHSXONUUMA-QGZVFWFLSA-N 2 1 295.471 2.053 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+])C(C)C ZINC000721970961 807555148 /nfs/dbraw/zinc/55/51/48/807555148.db2.gz DEOHWQNBEGMISV-SOUVJXGZSA-N 2 1 256.434 2.354 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127260705 807561463 /nfs/dbraw/zinc/56/14/63/807561463.db2.gz DNLKHPYOOQRFSI-HZPDHXFCSA-N 2 1 295.471 2.147 20 0 CEADMP c1cc(NCC2([NH+]3CCCC3)COC2)cc(C2CC2)[nH+]1 ZINC001168447240 807569864 /nfs/dbraw/zinc/56/98/64/807569864.db2.gz CTYSUOIAXNJKFS-UHFFFAOYSA-N 2 1 273.380 2.236 20 0 CEADMP COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205093612 807570586 /nfs/dbraw/zinc/57/05/86/807570586.db2.gz CJYLNWTUZKXNIJ-CYBMUJFWSA-N 2 1 294.395 2.026 20 0 CEADMP COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205093612 807570590 /nfs/dbraw/zinc/57/05/90/807570590.db2.gz CJYLNWTUZKXNIJ-CYBMUJFWSA-N 2 1 294.395 2.026 20 0 CEADMP COCc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)s1 ZINC001205101934 807633782 /nfs/dbraw/zinc/63/37/82/807633782.db2.gz NTCGEVAOYFTBIX-NSHDSACASA-N 2 1 254.399 2.208 20 0 CEADMP Cc1cccc2c(C[N@H+]3CCC[C@H]([NH3+])CC3)[nH]nc21 ZINC001205101844 807635101 /nfs/dbraw/zinc/63/51/01/807635101.db2.gz MHLDVIAUOWNQQG-LBPRGKRZSA-N 2 1 258.369 2.185 20 0 CEADMP CC[N@@H+](C[C@@H]1CCCO1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699281794 807670329 /nfs/dbraw/zinc/67/03/29/807670329.db2.gz KZXINPUUQZBNNY-DKUMPPAJSA-N 2 1 252.402 2.018 20 0 CEADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099245995 807817579 /nfs/dbraw/zinc/81/75/79/807817579.db2.gz PEVZFTOFKMUBQC-GJZGRUSLSA-N 2 1 297.487 2.343 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCCOCc1ccccc1 ZINC001236243047 808024402 /nfs/dbraw/zinc/02/44/02/808024402.db2.gz VMINHHSCIWPJEE-MRXNPFEDSA-N 2 1 262.397 2.407 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+]1CCCCOCc1ccccc1 ZINC001236243047 808024410 /nfs/dbraw/zinc/02/44/10/808024410.db2.gz VMINHHSCIWPJEE-MRXNPFEDSA-N 2 1 262.397 2.407 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnn(CCF)c1 ZINC000921496305 808060086 /nfs/dbraw/zinc/06/00/86/808060086.db2.gz RNMAWMGCMOZAJF-CQSZACIVSA-N 2 1 282.407 2.207 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnn(CCF)c1 ZINC000921496305 808060095 /nfs/dbraw/zinc/06/00/95/808060095.db2.gz RNMAWMGCMOZAJF-CQSZACIVSA-N 2 1 282.407 2.207 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000070188733 808187772 /nfs/dbraw/zinc/18/77/72/808187772.db2.gz SNCTYBNXXKKNEC-UHFFFAOYSA-N 2 1 253.415 2.273 20 0 CEADMP Cc1cccc2c1CC[C@H]([NH2+]C[C@H]1CC[N@H+](C)C1)C2 ZINC001171552584 815195685 /nfs/dbraw/zinc/19/56/85/815195685.db2.gz ZWUCMNAFXRAQBR-ZBFHGGJFSA-N 2 1 258.409 2.394 20 0 CEADMP C[NH+]1C(C)(C)CC([N@@H+]2CCC3(C2)OCCO3)CC1(C)C ZINC001171638212 815213964 /nfs/dbraw/zinc/21/39/64/815213964.db2.gz WXCWODCNFJFSLX-UHFFFAOYSA-N 2 1 282.428 2.087 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCC3(C2)OCCO3)CC1(C)C ZINC001171638212 815213966 /nfs/dbraw/zinc/21/39/66/815213966.db2.gz WXCWODCNFJFSLX-UHFFFAOYSA-N 2 1 282.428 2.087 20 0 CEADMP C[N@@H+](CCC1OCCO1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639602 815214305 /nfs/dbraw/zinc/21/43/05/815214305.db2.gz QDOKBAQYENJPEY-UHFFFAOYSA-N 2 1 284.444 2.333 20 0 CEADMP C[C@@H]1C[C@H](n2ccnc2CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171724883 815217975 /nfs/dbraw/zinc/21/79/75/815217975.db2.gz DOWUIANTEXZZTF-ZBFHGGJFSA-N 2 1 284.407 2.220 20 0 CEADMP CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423622 815220922 /nfs/dbraw/zinc/22/09/22/815220922.db2.gz VRXPMOWPEHVMCM-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1Cl ZINC001205219402 808611175 /nfs/dbraw/zinc/61/11/75/808611175.db2.gz CEDFXMYIGJAPGF-OAHLLOKOSA-N 2 1 298.814 2.024 20 0 CEADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205219405 808611454 /nfs/dbraw/zinc/61/14/54/808611454.db2.gz CISWUIOQDMNMGE-KRWDZBQOSA-N 2 1 292.423 2.150 20 0 CEADMP CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001032474781 808627643 /nfs/dbraw/zinc/62/76/43/808627643.db2.gz MGWJETDLOAWNDC-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120469547 815225599 /nfs/dbraw/zinc/22/55/99/815225599.db2.gz JLKRAPCLYLYTBX-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120469547 815225600 /nfs/dbraw/zinc/22/56/00/815225600.db2.gz JLKRAPCLYLYTBX-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120469547 815225606 /nfs/dbraw/zinc/22/56/06/815225606.db2.gz JLKRAPCLYLYTBX-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001042925216 808682880 /nfs/dbraw/zinc/68/28/80/808682880.db2.gz ZAQWMCUZHBCHDD-HNNXBMFYSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1C[C@@H](N2CC(C)([NH+](C)C)C2)C[N@H+]1Cc1ccccc1 ZINC001171763460 815227584 /nfs/dbraw/zinc/22/75/84/815227584.db2.gz PIVMZJDFBWOLEC-NVXWUHKLSA-N 2 1 287.451 2.285 20 0 CEADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)ccn1 ZINC001205239714 808684508 /nfs/dbraw/zinc/68/45/08/808684508.db2.gz CWHXMXAHNMRGFP-QGZVFWFLSA-N 2 1 291.439 2.055 20 0 CEADMP C[C@@H]1C[C@@H](N(C)[C@H]2CC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC001171765303 815228909 /nfs/dbraw/zinc/22/89/09/815228909.db2.gz XWZGABOTEYRWSE-BPQIPLTHSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1C[C@@H](N(C)[C@H]2CC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC001171765303 815228911 /nfs/dbraw/zinc/22/89/11/815228911.db2.gz XWZGABOTEYRWSE-BPQIPLTHSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1C[C@@H](N(C)[C@H]2CC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC001171765303 815228913 /nfs/dbraw/zinc/22/89/13/815228913.db2.gz XWZGABOTEYRWSE-BPQIPLTHSA-N 2 1 287.451 2.285 20 0 CEADMP CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001272881866 808839286 /nfs/dbraw/zinc/83/92/86/808839286.db2.gz LYWRTKDIBLTWQV-HOTGVXAUSA-N 2 1 297.487 2.247 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC001120581955 815241591 /nfs/dbraw/zinc/24/15/91/815241591.db2.gz DATLKEHLRJUPBA-OAHLLOKOSA-N 2 1 298.789 2.364 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171806494 815241800 /nfs/dbraw/zinc/24/18/00/815241800.db2.gz GLIVEWAHZBAVDZ-WMLDXEAASA-N 2 1 274.383 2.321 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171806494 815241805 /nfs/dbraw/zinc/24/18/05/815241805.db2.gz GLIVEWAHZBAVDZ-WMLDXEAASA-N 2 1 274.383 2.321 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171806494 815241808 /nfs/dbraw/zinc/24/18/08/815241808.db2.gz GLIVEWAHZBAVDZ-WMLDXEAASA-N 2 1 274.383 2.321 20 0 CEADMP CC1(C)C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000693585624 808887379 /nfs/dbraw/zinc/88/73/79/808887379.db2.gz MKLGTMYIOZJOLO-CALCHBBNSA-N 2 1 287.451 2.320 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C12CCC2 ZINC000453229022 809043181 /nfs/dbraw/zinc/04/31/81/809043181.db2.gz ZYTMJDAAJDXRLM-ARFHVFGLSA-N 2 1 296.455 2.035 20 0 CEADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001032958874 809128109 /nfs/dbraw/zinc/12/81/09/809128109.db2.gz BWNRSIFUDQJKGL-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001032958874 809128112 /nfs/dbraw/zinc/12/81/12/809128112.db2.gz BWNRSIFUDQJKGL-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001032958874 809128117 /nfs/dbraw/zinc/12/81/17/809128117.db2.gz BWNRSIFUDQJKGL-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cscn1)C2 ZINC001172101124 815281433 /nfs/dbraw/zinc/28/14/33/815281433.db2.gz WDDHKUWYCUOIJT-UOJUARBOSA-N 2 1 251.399 2.248 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)CC1=O ZINC001172038006 815276564 /nfs/dbraw/zinc/27/65/64/815276564.db2.gz BEUFAVYGHJDSJQ-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470848 809314424 /nfs/dbraw/zinc/31/44/24/809314424.db2.gz DVTFOVGRQOCVBL-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033470848 809314428 /nfs/dbraw/zinc/31/44/28/809314428.db2.gz DVTFOVGRQOCVBL-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033470848 809314434 /nfs/dbraw/zinc/31/44/34/809314434.db2.gz DVTFOVGRQOCVBL-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC1CC[NH+](CCN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172100118 815284148 /nfs/dbraw/zinc/28/41/48/815284148.db2.gz NBZPLWLSDXIGHD-BJWYYQGGSA-N 2 1 279.472 2.323 20 0 CEADMP CCN(CCC[NH+](C)C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131713 815290917 /nfs/dbraw/zinc/29/09/17/815290917.db2.gz YBENPPSBCIIXNS-ZSHCYNCHSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172131106 815291110 /nfs/dbraw/zinc/29/11/10/815291110.db2.gz VBTWVEWXBGUBLB-TWMKSMIVSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172131106 815291114 /nfs/dbraw/zinc/29/11/14/815291114.db2.gz VBTWVEWXBGUBLB-TWMKSMIVSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172131106 815291117 /nfs/dbraw/zinc/29/11/17/815291117.db2.gz VBTWVEWXBGUBLB-TWMKSMIVSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172104399 815294094 /nfs/dbraw/zinc/29/40/94/815294094.db2.gz FIDZLPROSNKIAP-LVQVYYBASA-N 2 1 265.445 2.074 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172104399 815294097 /nfs/dbraw/zinc/29/40/97/815294097.db2.gz FIDZLPROSNKIAP-LVQVYYBASA-N 2 1 265.445 2.074 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172104399 815294100 /nfs/dbraw/zinc/29/41/00/815294100.db2.gz FIDZLPROSNKIAP-LVQVYYBASA-N 2 1 265.445 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCCCO1)C2 ZINC001172103504 815294141 /nfs/dbraw/zinc/29/41/41/815294141.db2.gz VPATYSHCLFWNSG-LXTVHRRPSA-N 2 1 252.402 2.160 20 0 CEADMP CC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702087687 809505613 /nfs/dbraw/zinc/50/56/13/809505613.db2.gz ADJAHQLMUBIRFU-RCCFBDPRSA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702087687 809505619 /nfs/dbraw/zinc/50/56/19/809505619.db2.gz ADJAHQLMUBIRFU-RCCFBDPRSA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702087687 809505625 /nfs/dbraw/zinc/50/56/25/809505625.db2.gz ADJAHQLMUBIRFU-RCCFBDPRSA-N 2 1 288.435 2.211 20 0 CEADMP CC[N@H+]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172109120 815297986 /nfs/dbraw/zinc/29/79/86/815297986.db2.gz BGELJEKGYUQEGO-MUJYYYPQSA-N 2 1 265.445 2.029 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001034269415 809568125 /nfs/dbraw/zinc/56/81/25/809568125.db2.gz DEGLXFZVSAVDHG-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034269415 809568129 /nfs/dbraw/zinc/56/81/29/809568129.db2.gz DEGLXFZVSAVDHG-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034269415 809568135 /nfs/dbraw/zinc/56/81/35/809568135.db2.gz DEGLXFZVSAVDHG-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034269415 809568137 /nfs/dbraw/zinc/56/81/37/809568137.db2.gz DEGLXFZVSAVDHG-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034269415 809568140 /nfs/dbraw/zinc/56/81/40/809568140.db2.gz DEGLXFZVSAVDHG-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[C@@H](CCO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172114006 815302209 /nfs/dbraw/zinc/30/22/09/815302209.db2.gz LKQIHCYTGUMKEK-XQLPTFJDSA-N 2 1 254.418 2.142 20 0 CEADMP CCC[C@@H](CCO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172114006 815302215 /nfs/dbraw/zinc/30/22/15/815302215.db2.gz LKQIHCYTGUMKEK-XQLPTFJDSA-N 2 1 254.418 2.142 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1C[NH3+])C2 ZINC001172116372 815306023 /nfs/dbraw/zinc/30/60/23/815306023.db2.gz HCZJYIGZHZWARA-BJWYYQGGSA-N 3 1 273.424 2.250 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1C[NH3+])C2 ZINC001172116372 815306031 /nfs/dbraw/zinc/30/60/31/815306031.db2.gz HCZJYIGZHZWARA-BJWYYQGGSA-N 2 1 273.424 2.250 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccccc1C[NH3+])C2 ZINC001172116372 815306037 /nfs/dbraw/zinc/30/60/37/815306037.db2.gz HCZJYIGZHZWARA-BJWYYQGGSA-N 2 1 273.424 2.250 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccccc1C[NH3+])C2 ZINC001172116372 815306044 /nfs/dbraw/zinc/30/60/44/815306044.db2.gz HCZJYIGZHZWARA-BJWYYQGGSA-N 2 1 273.424 2.250 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@](C)(O)C1)C2 ZINC001172117552 815306509 /nfs/dbraw/zinc/30/65/09/815306509.db2.gz HQKSLUJLKQVKJR-JJXSEGSLSA-N 2 1 266.429 2.239 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@](C)(O)C1)C2 ZINC001172117552 815306516 /nfs/dbraw/zinc/30/65/16/815306516.db2.gz HQKSLUJLKQVKJR-JJXSEGSLSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC[C@](C)(O)C1)C2 ZINC001172117552 815306523 /nfs/dbraw/zinc/30/65/23/815306523.db2.gz HQKSLUJLKQVKJR-JJXSEGSLSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@](C)(O)C1)C2 ZINC001172117552 815306526 /nfs/dbraw/zinc/30/65/26/815306526.db2.gz HQKSLUJLKQVKJR-JJXSEGSLSA-N 2 1 266.429 2.239 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(C)(C)C[C@@]1(C)CO)C2 ZINC001172117022 815307483 /nfs/dbraw/zinc/30/74/83/815307483.db2.gz FQKLDJJRRTYOSG-IVSAIRAKSA-N 2 1 280.456 2.485 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(C)(C)C[C@@]1(C)CO)C2 ZINC001172117022 815307489 /nfs/dbraw/zinc/30/74/89/815307489.db2.gz FQKLDJJRRTYOSG-IVSAIRAKSA-N 2 1 280.456 2.485 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC(C)(C)C[C@@]1(C)CO)C2 ZINC001172117022 815307495 /nfs/dbraw/zinc/30/74/95/815307495.db2.gz FQKLDJJRRTYOSG-IVSAIRAKSA-N 2 1 280.456 2.485 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC(C)(C)C[C@@]1(C)CO)C2 ZINC001172117022 815307500 /nfs/dbraw/zinc/30/75/00/815307500.db2.gz FQKLDJJRRTYOSG-IVSAIRAKSA-N 2 1 280.456 2.485 20 0 CEADMP COC(=O)CC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172117489 815307513 /nfs/dbraw/zinc/30/75/13/815307513.db2.gz JSHVYHHWZQZMOU-MUJYYYPQSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)CC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172117489 815307520 /nfs/dbraw/zinc/30/75/20/815307520.db2.gz JSHVYHHWZQZMOU-MUJYYYPQSA-N 2 1 294.439 2.277 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@](O)(CF)C1)C2 ZINC001172120062 815308090 /nfs/dbraw/zinc/30/80/90/815308090.db2.gz JKBZFUCAXHVCEC-FZKCQIBNSA-N 2 1 284.419 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@](O)(CF)C1)C2 ZINC001172120062 815308095 /nfs/dbraw/zinc/30/80/95/815308095.db2.gz JKBZFUCAXHVCEC-FZKCQIBNSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC[C@](O)(CF)C1)C2 ZINC001172120062 815308100 /nfs/dbraw/zinc/30/81/00/815308100.db2.gz JKBZFUCAXHVCEC-FZKCQIBNSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@](O)(CF)C1)C2 ZINC001172120062 815308105 /nfs/dbraw/zinc/30/81/05/815308105.db2.gz JKBZFUCAXHVCEC-FZKCQIBNSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1CCC2(CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)CC1 ZINC001172120272 815308978 /nfs/dbraw/zinc/30/89/78/815308978.db2.gz CGYPJFBLIUIMCF-FVQHAEBGSA-N 3 1 291.483 2.419 20 0 CEADMP C[NH+]1CCC2(CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)CC1 ZINC001172120272 815308982 /nfs/dbraw/zinc/30/89/82/815308982.db2.gz CGYPJFBLIUIMCF-FVQHAEBGSA-N 3 1 291.483 2.419 20 0 CEADMP C[NH+]1CCC2(CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)CC1 ZINC001172120272 815308987 /nfs/dbraw/zinc/30/89/87/815308987.db2.gz CGYPJFBLIUIMCF-FVQHAEBGSA-N 3 1 291.483 2.419 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC3(C1)CC[NH+](C)CC3)C2 ZINC001172120272 815308992 /nfs/dbraw/zinc/30/89/92/815308992.db2.gz CGYPJFBLIUIMCF-FVQHAEBGSA-N 2 1 291.483 2.419 20 0 CEADMP CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001034753880 809683958 /nfs/dbraw/zinc/68/39/58/809683958.db2.gz LZYAQXLYNXKXMX-YHUYYLMFSA-N 2 1 293.455 2.040 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC3(C1)CC[NH+](C)CC3)C2 ZINC001172120272 815308998 /nfs/dbraw/zinc/30/89/98/815308998.db2.gz CGYPJFBLIUIMCF-FVQHAEBGSA-N 2 1 291.483 2.419 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@](C)(CO)CC1)C2 ZINC001172121430 815313911 /nfs/dbraw/zinc/31/39/11/815313911.db2.gz QITLWAAIYLQTME-YVSFHVDLSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@](C)(CO)CC1)C2 ZINC001172121430 815313921 /nfs/dbraw/zinc/31/39/21/815313921.db2.gz QITLWAAIYLQTME-YVSFHVDLSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@](C)(CO)CC1)C2 ZINC001172121430 815313926 /nfs/dbraw/zinc/31/39/26/815313926.db2.gz QITLWAAIYLQTME-YVSFHVDLSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@](C)(CO)CC1)C2 ZINC001172121430 815313931 /nfs/dbraw/zinc/31/39/31/815313931.db2.gz QITLWAAIYLQTME-YVSFHVDLSA-N 2 1 280.456 2.486 20 0 CEADMP C(C[C@@H]1CCSC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000704918996 809763402 /nfs/dbraw/zinc/76/34/02/809763402.db2.gz PCCPHZBGRLBAKE-HZSPNIEDSA-N 2 1 254.443 2.346 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000708991345 809939238 /nfs/dbraw/zinc/93/92/38/809939238.db2.gz BSHSMOPPLMZFJO-HUUCEWRRSA-N 2 1 254.418 2.131 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000708991345 809939241 /nfs/dbraw/zinc/93/92/41/809939241.db2.gz BSHSMOPPLMZFJO-HUUCEWRRSA-N 2 1 254.418 2.131 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710934156 810005558 /nfs/dbraw/zinc/00/55/58/810005558.db2.gz AQIJZBURERTRHB-ZDUSSCGKSA-N 2 1 299.459 2.173 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710934156 810005563 /nfs/dbraw/zinc/00/55/63/810005563.db2.gz AQIJZBURERTRHB-ZDUSSCGKSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)CO1)[C@H]1CCCC[NH2+]1 ZINC000711227954 810050259 /nfs/dbraw/zinc/05/02/59/810050259.db2.gz UDFHTIUPCGLTQT-BFHYXJOUSA-N 2 1 254.418 2.312 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCC2(CCC2)O1 ZINC000711405904 810067792 /nfs/dbraw/zinc/06/77/92/810067792.db2.gz DYMILQZIPOFQPF-OAHLLOKOSA-N 2 1 264.413 2.305 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000923360855 810089284 /nfs/dbraw/zinc/08/92/84/810089284.db2.gz BIOICYQVFPNKBR-HLLBOEOZSA-N 2 1 292.398 2.181 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000923361613 810089530 /nfs/dbraw/zinc/08/95/30/810089530.db2.gz HRZQNLLPTUIIFD-OKZBNKHCSA-N 2 1 288.435 2.350 20 0 CEADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000923383728 810089930 /nfs/dbraw/zinc/08/99/30/810089930.db2.gz LZZJFRFZRANBHL-ZFWWWQNUSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC[N@@H+]1C ZINC000711848840 810100044 /nfs/dbraw/zinc/10/00/44/810100044.db2.gz WJBYJLYQZFZEAD-BVUBDWEXSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC[N@H+]1C ZINC000711848840 810100047 /nfs/dbraw/zinc/10/00/47/810100047.db2.gz WJBYJLYQZFZEAD-BVUBDWEXSA-N 2 1 266.429 2.264 20 0 CEADMP CCCC[N@H+](CC)CC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172228881 815342262 /nfs/dbraw/zinc/34/22/62/815342262.db2.gz PNQLGJWZJDAFEM-GOOCMWNKSA-N 2 1 252.402 2.184 20 0 CEADMP CCCC[N@@H+](CC)CC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172228881 815342268 /nfs/dbraw/zinc/34/22/68/815342268.db2.gz PNQLGJWZJDAFEM-GOOCMWNKSA-N 2 1 252.402 2.184 20 0 CEADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1COC(C)(C)C1 ZINC001172280044 815349589 /nfs/dbraw/zinc/34/95/89/815349589.db2.gz RSHHAAXYLSSUBT-CYBMUJFWSA-N 3 1 285.476 2.029 20 0 CEADMP C[C@@H]1C[C@@H](NC(=O)CCCCC2CC[NH2+]CC2)CC[N@H+]1C ZINC001121923442 815367222 /nfs/dbraw/zinc/36/72/22/815367222.db2.gz KVNLQCMYYQTZAT-ZBFHGGJFSA-N 2 1 295.471 2.145 20 0 CEADMP COc1cc(N2CCC([NH3+])CC2)[nH+]c2ccccc21 ZINC001166664111 810463412 /nfs/dbraw/zinc/46/34/12/810463412.db2.gz ACGGJSPJLJJBGO-UHFFFAOYSA-N 2 1 257.337 2.171 20 0 CEADMP COc1ccc2[nH]cc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)c2c1 ZINC001206163925 815389405 /nfs/dbraw/zinc/38/94/05/815389405.db2.gz HXMKGAZQMOOKLU-GJZGRUSLSA-N 2 1 291.370 2.438 20 0 CEADMP COc1ccc(NCC(C)(C)C[NH+](C)C)[nH+]c1C ZINC001168768941 810695323 /nfs/dbraw/zinc/69/53/23/810695323.db2.gz HEUDYVFZZYDDHY-UHFFFAOYSA-N 2 1 251.374 2.398 20 0 CEADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@H](C)[C@H](C)C3)C[C@@H]2C1 ZINC001172380337 815391701 /nfs/dbraw/zinc/39/17/01/815391701.db2.gz WILOEOHQOPZMCO-DMRKSPOLSA-N 2 1 280.456 2.464 20 0 CEADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@H](C)[C@H](C)C3)C[C@@H]2C1 ZINC001172380337 815391709 /nfs/dbraw/zinc/39/17/09/815391709.db2.gz WILOEOHQOPZMCO-DMRKSPOLSA-N 2 1 280.456 2.464 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C)[C@H](C)C3)C[C@@H]2C1 ZINC001172380337 815391716 /nfs/dbraw/zinc/39/17/16/815391716.db2.gz WILOEOHQOPZMCO-DMRKSPOLSA-N 2 1 280.456 2.464 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CC[C@H](C)[C@H](C)C3)C[C@@H]2C1 ZINC001172380337 815391724 /nfs/dbraw/zinc/39/17/24/815391724.db2.gz WILOEOHQOPZMCO-DMRKSPOLSA-N 2 1 280.456 2.464 20 0 CEADMP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904228 810770832 /nfs/dbraw/zinc/77/08/32/810770832.db2.gz QGLZEHBLZPSODU-HUUCEWRRSA-N 2 1 285.476 2.201 20 0 CEADMP COC[C@@H](C[N@H+]1CC[NH2+]CCC12CCC2)C(C)C ZINC000721975754 810866158 /nfs/dbraw/zinc/86/61/58/810866158.db2.gz WJOWEGLSWPBKPV-CQSZACIVSA-N 2 1 254.418 2.123 20 0 CEADMP CCOCC[C@@H](C)[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001172424828 815417565 /nfs/dbraw/zinc/41/75/65/815417565.db2.gz AZCJFFUDTVQMQX-WBVHZDCISA-N 2 1 298.471 2.377 20 0 CEADMP CCOCC[C@@H](C)[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001172424828 815417571 /nfs/dbraw/zinc/41/75/71/815417571.db2.gz AZCJFFUDTVQMQX-WBVHZDCISA-N 2 1 298.471 2.377 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)C[NH+](C)C ZINC000381901371 811098594 /nfs/dbraw/zinc/09/85/94/811098594.db2.gz WOYMLPDOVYUFPM-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C)C[NH+](C)C ZINC000381901371 811098605 /nfs/dbraw/zinc/09/86/05/811098605.db2.gz WOYMLPDOVYUFPM-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]C(C)C)C2)C1 ZINC001086454467 811148695 /nfs/dbraw/zinc/14/86/95/811148695.db2.gz OICBHMAJPHDSEJ-BZUAXINKSA-N 2 1 295.471 2.001 20 0 CEADMP COC(=O)C1(C)CCC([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC001168789996 811234015 /nfs/dbraw/zinc/23/40/15/811234015.db2.gz USONYOVDHJDKHT-BDVYOWHSSA-N 2 1 294.439 2.136 20 0 CEADMP Cc1ncn(-c2cccn3c[nH+]cc23)c1CSCC[NH3+] ZINC001168797315 811248016 /nfs/dbraw/zinc/24/80/16/811248016.db2.gz ICTGVLFZFVHLGW-UHFFFAOYSA-N 2 1 287.392 2.020 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205995340 811284026 /nfs/dbraw/zinc/28/40/26/811284026.db2.gz NSPFTOKQLQEIGH-KGLIPLIRSA-N 2 1 264.417 2.271 20 0 CEADMP CC[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001042711284 811321304 /nfs/dbraw/zinc/32/13/04/811321304.db2.gz PYMGWDRUBVMWQR-GOEBONIOSA-N 2 1 295.471 2.048 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000382183156 811362347 /nfs/dbraw/zinc/36/23/47/811362347.db2.gz MDQPYTYACJEBLZ-INIZCTEOSA-N 2 1 260.381 2.059 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOc1ccccc1F)C2 ZINC001169095670 811367809 /nfs/dbraw/zinc/36/78/09/811367809.db2.gz QSOSLPQUNZCEQJ-ZSOGYDGISA-N 2 1 278.371 2.419 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccccc3[C@@H]1O)C2 ZINC001169099680 811373144 /nfs/dbraw/zinc/37/31/44/811373144.db2.gz DURQDTKBNWDJFO-SQDXWYPISA-N 2 1 286.419 2.250 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169100087 811373405 /nfs/dbraw/zinc/37/34/05/811373405.db2.gz FYGXSZKEWPYIAQ-BJWYYQGGSA-N 2 1 287.407 2.360 20 0 CEADMP CCCCOCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099772 811373481 /nfs/dbraw/zinc/37/34/81/811373481.db2.gz VLJOMJLDPWDSRI-QDMKHBRRSA-N 2 1 254.418 2.408 20 0 CEADMP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169089567 811379737 /nfs/dbraw/zinc/37/97/37/811379737.db2.gz CZJABDFJYHSOKO-NNZMDNLPSA-N 3 1 287.451 2.463 20 0 CEADMP C[NH+](C)Cc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169089567 811379746 /nfs/dbraw/zinc/37/97/46/811379746.db2.gz CZJABDFJYHSOKO-NNZMDNLPSA-N 2 1 287.451 2.463 20 0 CEADMP C[NH+](C)Cc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169089567 811379753 /nfs/dbraw/zinc/37/97/53/811379753.db2.gz CZJABDFJYHSOKO-NNZMDNLPSA-N 2 1 287.451 2.463 20 0 CEADMP CC(C)CC[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001043520061 811382798 /nfs/dbraw/zinc/38/27/98/811382798.db2.gz IWDKDGGNOIVNIW-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)C2 ZINC001169116489 811383206 /nfs/dbraw/zinc/38/32/06/811383206.db2.gz QQIYKYPNNMLBQI-XQLPTFJDSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@@H+](CCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)Cc1ccccc1 ZINC001169091822 811383416 /nfs/dbraw/zinc/38/34/16/811383416.db2.gz VTEBJRSRLWXHEA-BCDXTJNWSA-N 2 1 287.451 2.333 20 0 CEADMP C[NH+](CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC001169091822 811383426 /nfs/dbraw/zinc/38/34/26/811383426.db2.gz VTEBJRSRLWXHEA-BCDXTJNWSA-N 2 1 287.451 2.333 20 0 CEADMP C[NH+](CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC001169091822 811383435 /nfs/dbraw/zinc/38/34/35/811383435.db2.gz VTEBJRSRLWXHEA-BCDXTJNWSA-N 2 1 287.451 2.333 20 0 CEADMP CN(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC001169091822 811383438 /nfs/dbraw/zinc/38/34/38/811383438.db2.gz VTEBJRSRLWXHEA-BCDXTJNWSA-N 2 1 287.451 2.333 20 0 CEADMP CN(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC001169091822 811383447 /nfs/dbraw/zinc/38/34/47/811383447.db2.gz VTEBJRSRLWXHEA-BCDXTJNWSA-N 2 1 287.451 2.333 20 0 CEADMP CCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001169118304 811386703 /nfs/dbraw/zinc/38/67/03/811386703.db2.gz HBLASOXCTBBNOF-QKDCVEJESA-N 2 1 266.429 2.408 20 0 CEADMP CCOC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169119893 811387174 /nfs/dbraw/zinc/38/71/74/811387174.db2.gz XWLOOGWGBOOHRB-XFIYOXNOSA-N 2 1 294.439 2.323 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cncc(F)c1 ZINC001169124746 811391067 /nfs/dbraw/zinc/39/10/67/811391067.db2.gz SQNZUBDLGSPNBA-QPKOPYBWSA-N 2 1 263.360 2.497 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cncc(F)c1 ZINC001169124746 811391080 /nfs/dbraw/zinc/39/10/80/811391080.db2.gz SQNZUBDLGSPNBA-QPKOPYBWSA-N 2 1 263.360 2.497 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]3(C1)CCCCO3)C2 ZINC001169130331 811398163 /nfs/dbraw/zinc/39/81/63/811398163.db2.gz MQNLNUYXPYMKGO-JJXSEGSLSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(C1)CCCCO3)C2 ZINC001169130331 811398171 /nfs/dbraw/zinc/39/81/71/811398171.db2.gz MQNLNUYXPYMKGO-JJXSEGSLSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@]3(C1)CCCCO3)C2 ZINC001169130331 811398182 /nfs/dbraw/zinc/39/81/82/811398182.db2.gz MQNLNUYXPYMKGO-JJXSEGSLSA-N 2 1 264.413 2.257 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]([NH+]3CCCCC3)C1)C2 ZINC001169140946 811406090 /nfs/dbraw/zinc/40/60/90/811406090.db2.gz MWMBFHMNKNKYSP-TWMKSMIVSA-N 2 1 277.456 2.172 20 0 CEADMP CCN(CC[NH+](CC)CC)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169141335 811408472 /nfs/dbraw/zinc/40/84/72/811408472.db2.gz PTFIAPVTQDCAEF-ZSHCYNCHSA-N 2 1 267.461 2.275 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)ncn3C)CCC[C@@H]1C[NH3+] ZINC001206003592 811410839 /nfs/dbraw/zinc/41/08/39/811410839.db2.gz KACUEWQIGCRPDY-UKRRQHHQSA-N 2 1 286.423 2.380 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccn3ccnc3c2)CCC[C@H]1C[NH3+] ZINC001206004083 811422974 /nfs/dbraw/zinc/42/29/74/811422974.db2.gz PXIVYLBFUQADQR-HIFRSBDPSA-N 2 1 272.396 2.141 20 0 CEADMP Cc1cc2[nH+]ccn2cc1-n1ncc2c1cccc2C[NH3+] ZINC001169191893 811424627 /nfs/dbraw/zinc/42/46/27/811424627.db2.gz JARRYYWWUADSQJ-UHFFFAOYSA-N 2 1 277.331 2.440 20 0 CEADMP CC[NH+]1CCC([NH2+]C2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001169240586 811458179 /nfs/dbraw/zinc/45/81/79/811458179.db2.gz AXJMKINKACYRET-UHFFFAOYSA-N 2 1 297.443 2.118 20 0 CEADMP CCN1CCC([N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)CC1 ZINC001169245691 811459885 /nfs/dbraw/zinc/45/98/85/811459885.db2.gz HHKRNDPJLRNVEW-CYBMUJFWSA-N 2 1 294.361 2.250 20 0 CEADMP CCN1CCC([N@H+]2CCCC[C@](O)(C(F)(F)F)C2)CC1 ZINC001169245691 811459890 /nfs/dbraw/zinc/45/98/90/811459890.db2.gz HHKRNDPJLRNVEW-CYBMUJFWSA-N 2 1 294.361 2.250 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3ncc(Cl)cc23)CC[C@@H]1F ZINC001206165211 815449878 /nfs/dbraw/zinc/44/98/78/815449878.db2.gz MLPKTHKHYUIIDG-STQMWFEESA-N 2 1 296.777 2.478 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)CC[C@@H]1F ZINC001206165211 815449880 /nfs/dbraw/zinc/44/98/80/815449880.db2.gz MLPKTHKHYUIIDG-STQMWFEESA-N 2 1 296.777 2.478 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001169455867 811518714 /nfs/dbraw/zinc/51/87/14/811518714.db2.gz DTNSJXIJGBJTAA-OWCLPIDISA-N 2 1 297.487 2.342 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[N@@H+](C)C1CCN(CC)CC1 ZINC001169477750 811523926 /nfs/dbraw/zinc/52/39/26/811523926.db2.gz GFDCGZWYKAYNCK-AWEZNQCLSA-N 2 1 283.460 2.050 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[N@H+](C)C1CC[NH+](CC)CC1 ZINC001169477750 811523930 /nfs/dbraw/zinc/52/39/30/811523930.db2.gz GFDCGZWYKAYNCK-AWEZNQCLSA-N 2 1 283.460 2.050 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001169477750 811523933 /nfs/dbraw/zinc/52/39/33/811523933.db2.gz GFDCGZWYKAYNCK-AWEZNQCLSA-N 2 1 283.460 2.050 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001169458046 811532421 /nfs/dbraw/zinc/53/24/21/811532421.db2.gz ZSVXQTPFZGDYDS-JKSUJKDBSA-N 2 1 297.487 2.474 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001169476708 811542095 /nfs/dbraw/zinc/54/20/95/811542095.db2.gz SBWHIQULLQJREV-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)ncc2[O-])CCC[C@@H]1C[NH3+] ZINC001206012371 811546623 /nfs/dbraw/zinc/54/66/23/811546623.db2.gz KXGHSDKLOFKMMK-GHMZBOCLSA-N 2 1 283.803 2.247 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(C)n1 ZINC001206013766 811583772 /nfs/dbraw/zinc/58/37/72/811583772.db2.gz UFRCFMUNFUJWCB-JSGCOSHPSA-N 2 1 277.412 2.205 20 0 CEADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC001169634178 811599038 /nfs/dbraw/zinc/59/90/38/811599038.db2.gz KUGIFEKSMDQXLO-QGZVFWFLSA-N 2 1 295.471 2.194 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)CC[C@H]1F ZINC001206165884 815460002 /nfs/dbraw/zinc/46/00/02/815460002.db2.gz PQLTUOKUACBEMS-HUUCEWRRSA-N 2 1 273.355 2.496 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3ccccc3n2)CC[C@H]1F ZINC001206165884 815460006 /nfs/dbraw/zinc/46/00/06/815460006.db2.gz PQLTUOKUACBEMS-HUUCEWRRSA-N 2 1 273.355 2.496 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCCN(C(=O)OCC)CC1 ZINC001169647243 811604894 /nfs/dbraw/zinc/60/48/94/811604894.db2.gz YQLYYWDVJQOAQJ-AWEZNQCLSA-N 2 1 285.432 2.058 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)CCC[C@H]1C[NH3+] ZINC001206014834 811605810 /nfs/dbraw/zinc/60/58/10/811605810.db2.gz YGRXRWYVTKVTRC-OCCSQVGLSA-N 3 1 293.480 2.201 20 0 CEADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001172593643 815467199 /nfs/dbraw/zinc/46/71/99/815467199.db2.gz YMAJAORWLHYXAA-LSDHHAIUSA-N 2 1 284.444 2.430 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046198046 811705798 /nfs/dbraw/zinc/70/57/98/811705798.db2.gz SOEMZIRBXGJLOA-DOTOQJQBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046198046 811705805 /nfs/dbraw/zinc/70/58/05/811705805.db2.gz SOEMZIRBXGJLOA-DOTOQJQBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046198046 811705808 /nfs/dbraw/zinc/70/58/08/811705808.db2.gz SOEMZIRBXGJLOA-DOTOQJQBSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](C(=O)OCC[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000770380259 811920766 /nfs/dbraw/zinc/92/07/66/811920766.db2.gz GAVXZUMBGVQNCV-OAHLLOKOSA-N 2 1 282.428 2.280 20 0 CEADMP CN(C)c1cccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206173816 815487184 /nfs/dbraw/zinc/48/71/84/815487184.db2.gz KHIHAYRPZSTFPQ-CABCVRRESA-N 2 1 265.376 2.014 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001109866964 811962644 /nfs/dbraw/zinc/96/26/44/811962644.db2.gz QZPOYOLSPJEEQZ-PMPSAXMXSA-N 2 1 293.455 2.016 20 0 CEADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109932304 811971631 /nfs/dbraw/zinc/97/16/31/811971631.db2.gz FSQOSYHLRNMWGC-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109932304 811971635 /nfs/dbraw/zinc/97/16/35/811971635.db2.gz FSQOSYHLRNMWGC-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109932304 811971646 /nfs/dbraw/zinc/97/16/46/811971646.db2.gz FSQOSYHLRNMWGC-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP COCC[N@H+](CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000384348397 811989323 /nfs/dbraw/zinc/98/93/23/811989323.db2.gz DBOQBIDTVSCQJO-UHFFFAOYSA-N 2 1 262.397 2.277 20 0 CEADMP COCC[N@@H+](CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000384348397 811989327 /nfs/dbraw/zinc/98/93/27/811989327.db2.gz DBOQBIDTVSCQJO-UHFFFAOYSA-N 2 1 262.397 2.277 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001172756645 815507461 /nfs/dbraw/zinc/50/74/61/815507461.db2.gz PJQXRVVQRDEKMO-KGLIPLIRSA-N 2 1 270.417 2.038 20 0 CEADMP CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049726098 812200897 /nfs/dbraw/zinc/20/08/97/812200897.db2.gz BSFAUSAAJMZFLY-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000396681742 812255987 /nfs/dbraw/zinc/25/59/87/812255987.db2.gz VVHOFUUVAVHSSA-YGRLFVJLSA-N 2 1 254.324 2.237 20 0 CEADMP CCCCCCN1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113688022 812302276 /nfs/dbraw/zinc/30/22/76/812302276.db2.gz XOUBNDHPGSAYAE-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113688022 812302294 /nfs/dbraw/zinc/30/22/94/812302294.db2.gz XOUBNDHPGSAYAE-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CC[C@H]1C[C@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)CCO1 ZINC001170192704 812333419 /nfs/dbraw/zinc/33/34/19/812333419.db2.gz DVVRBDVQNOEKAJ-CVEARBPZSA-N 2 1 289.423 2.289 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001170172470 812334512 /nfs/dbraw/zinc/33/45/12/812334512.db2.gz ZDLVUOIDNXVIEM-UXXRCYHCSA-N 2 1 252.402 2.159 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001172793722 815523932 /nfs/dbraw/zinc/52/39/32/815523932.db2.gz WEKPNJVFFGSGGS-ZIAGYGMSSA-N 2 1 294.439 2.325 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC1CCCCC1 ZINC001170221958 812337602 /nfs/dbraw/zinc/33/76/02/812337602.db2.gz FVUBIWPZLACZEY-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCOC1)c1ccccc1 ZINC001254367879 812366874 /nfs/dbraw/zinc/36/68/74/812366874.db2.gz NZJHXJMQIIZZDJ-JKSUJKDBSA-N 2 1 262.397 2.448 20 0 CEADMP CCOc1cncc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206574615 812442307 /nfs/dbraw/zinc/44/23/07/812442307.db2.gz SJUVYAAACBILNC-MRXNPFEDSA-N 2 1 277.412 2.431 20 0 CEADMP CCOc1cncc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206574615 812442310 /nfs/dbraw/zinc/44/23/10/812442310.db2.gz SJUVYAAACBILNC-MRXNPFEDSA-N 2 1 277.412 2.431 20 0 CEADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001130300592 812555125 /nfs/dbraw/zinc/55/51/25/812555125.db2.gz RZZXRHVHZGROKZ-INIZCTEOSA-N 2 1 293.455 2.067 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC)CC1 ZINC001050331358 812807849 /nfs/dbraw/zinc/80/78/49/812807849.db2.gz JYDGGPPZEVNMJI-JYJNAYRXSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132247968 812808284 /nfs/dbraw/zinc/80/82/84/812808284.db2.gz AMFJRNBKISFPMP-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132738951 812935323 /nfs/dbraw/zinc/93/53/23/812935323.db2.gz LBJIDLGLBPPXLB-OAHLLOKOSA-N 2 1 283.460 2.004 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(C)n1 ZINC001206185072 815565608 /nfs/dbraw/zinc/56/56/08/815565608.db2.gz LDNVMYDSVIQDFP-UONOGXRCSA-N 2 1 281.375 2.050 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(C)n1 ZINC001206185072 815565613 /nfs/dbraw/zinc/56/56/13/815565613.db2.gz LDNVMYDSVIQDFP-UONOGXRCSA-N 2 1 281.375 2.050 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C(C)C)CC1 ZINC001052367883 812981424 /nfs/dbraw/zinc/98/14/24/812981424.db2.gz CTWUHZZKRLXBKQ-HOTGVXAUSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC001052367883 812981427 /nfs/dbraw/zinc/98/14/27/812981427.db2.gz CTWUHZZKRLXBKQ-HOTGVXAUSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C(C)C)CC1 ZINC001052367883 812981433 /nfs/dbraw/zinc/98/14/33/812981433.db2.gz CTWUHZZKRLXBKQ-HOTGVXAUSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052496342 812999675 /nfs/dbraw/zinc/99/96/75/812999675.db2.gz WGAMUFBAGCPYSF-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001052496342 812999679 /nfs/dbraw/zinc/99/96/79/812999679.db2.gz WGAMUFBAGCPYSF-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001052496342 812999685 /nfs/dbraw/zinc/99/96/85/812999685.db2.gz WGAMUFBAGCPYSF-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052658562 813022701 /nfs/dbraw/zinc/02/27/01/813022701.db2.gz RFSADROJLQEKGF-JYJNAYRXSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052658562 813022707 /nfs/dbraw/zinc/02/27/07/813022707.db2.gz RFSADROJLQEKGF-JYJNAYRXSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001052658562 813022714 /nfs/dbraw/zinc/02/27/14/813022714.db2.gz RFSADROJLQEKGF-JYJNAYRXSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3c[nH]c4ncccc34)C2)CC1 ZINC001137403502 813034379 /nfs/dbraw/zinc/03/43/79/813034379.db2.gz QLZLSRIUOWFZQR-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CCC[C@H](N2CCCC2)C1 ZINC000382643457 813091507 /nfs/dbraw/zinc/09/15/07/813091507.db2.gz OIQATHUKKHQAEN-HNNXBMFYSA-N 2 1 253.434 2.066 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](N2CCCC2)C1 ZINC000382643457 813091516 /nfs/dbraw/zinc/09/15/16/813091516.db2.gz OIQATHUKKHQAEN-HNNXBMFYSA-N 2 1 253.434 2.066 20 0 CEADMP CN1CCC[C@@H]2C[N@H+]([C@H]3CCc4ncsc4C3)C[C@H]21 ZINC001173143082 815602186 /nfs/dbraw/zinc/60/21/86/815602186.db2.gz YXVRIQGYWXRJTB-MBNYWOFBSA-N 2 1 277.437 2.026 20 0 CEADMP C[NH+](C)CCN(Cc1ccccc1)[C@H]1CCC[N@@H+](C)C1 ZINC001255479667 813302519 /nfs/dbraw/zinc/30/25/19/813302519.db2.gz KPRKPPXMXVQPQZ-KRWDZBQOSA-N 2 1 275.440 2.144 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000394049734 813334700 /nfs/dbraw/zinc/33/47/00/813334700.db2.gz OFQGZNVPIKNBKG-CQSZACIVSA-N 2 1 263.385 2.273 20 0 CEADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@@H]2CCCOCC2)CC1 ZINC001170800473 813380743 /nfs/dbraw/zinc/38/07/43/813380743.db2.gz BVEIXRNAMLKFOE-BZUAXINKSA-N 2 1 296.455 2.306 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071735619 813473777 /nfs/dbraw/zinc/47/37/77/813473777.db2.gz PBIUUIHBVWHXOU-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(C)C ZINC001135860354 813548408 /nfs/dbraw/zinc/54/84/08/813548408.db2.gz ARTBOUQMKBPZBD-CABCVRRESA-N 2 1 285.476 2.247 20 0 CEADMP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860393 813548735 /nfs/dbraw/zinc/54/87/35/813548735.db2.gz AZFQDYIKERJODZ-LSDHHAIUSA-N 2 1 285.476 2.391 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001135861661 813549958 /nfs/dbraw/zinc/54/99/58/813549958.db2.gz VEWNXFNHFDDCNF-LSDHHAIUSA-N 2 1 297.487 2.391 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]C(C)C)CC[N@H+]1C ZINC001170871275 813567404 /nfs/dbraw/zinc/56/74/04/813567404.db2.gz MQIJMVHHCKLSQR-OWCLPIDISA-N 2 1 297.487 2.390 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC1 ZINC001135979106 813577799 /nfs/dbraw/zinc/57/77/99/813577799.db2.gz CIGBUDIEUXAOHC-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(C)C ZINC001135980630 813578375 /nfs/dbraw/zinc/57/83/75/813578375.db2.gz QWPOOXCOKZRROV-CABCVRRESA-N 2 1 285.476 2.247 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CC1 ZINC001135996551 813583117 /nfs/dbraw/zinc/58/31/17/813583117.db2.gz SYTBWCHULZUDAD-GJZGRUSLSA-N 2 1 297.487 2.391 20 0 CEADMP CC[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@@]23C[NH2+]CCO3)C1 ZINC001246159899 813716793 /nfs/dbraw/zinc/71/67/93/813716793.db2.gz LLDMSKPYHODYNN-ZJIFWQFVSA-N 2 1 266.429 2.456 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCOc2cccc(Cl)c2)C[NH2+]1 ZINC001246174203 813721224 /nfs/dbraw/zinc/72/12/24/813721224.db2.gz JPSLSOHVJGBVEQ-AAEUAGOBSA-N 2 1 268.788 2.449 20 0 CEADMP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC001246332210 813787022 /nfs/dbraw/zinc/78/70/22/813787022.db2.gz PZDYORYHQWPWLS-ZOWXZIJZSA-N 2 1 250.361 2.344 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001074023753 813799330 /nfs/dbraw/zinc/79/93/30/813799330.db2.gz DUXRBLREAZTZHF-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP COc1cccc(C[C@H](C)[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001246537657 813938076 /nfs/dbraw/zinc/93/80/76/813938076.db2.gz JFAMAPISWNFTIH-YDHLFZDLSA-N 2 1 262.397 2.438 20 0 CEADMP COc1cccc(C[C@H](C)[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001246537657 813938081 /nfs/dbraw/zinc/93/80/81/813938081.db2.gz JFAMAPISWNFTIH-YDHLFZDLSA-N 2 1 262.397 2.438 20 0 CEADMP CC(C)CCC[C@H](C)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246539467 813944098 /nfs/dbraw/zinc/94/40/98/813944098.db2.gz BTVRKALITBQEJI-GJZGRUSLSA-N 2 1 256.434 2.377 20 0 CEADMP CC[C@@H]1CC([N@@H+]2CCC[C@@H]([NH3+])CC2)C[C@@H](CC)[NH2+]1 ZINC001246542492 813958170 /nfs/dbraw/zinc/95/81/70/813958170.db2.gz PPFCPPZMQCMYCM-MGPQQGTHSA-N 3 1 253.434 2.109 20 0 CEADMP CC[C@@H]1CC([N@H+]2CCC[C@@H]([NH3+])CC2)C[C@@H](CC)[NH2+]1 ZINC001246542492 813958176 /nfs/dbraw/zinc/95/81/76/813958176.db2.gz PPFCPPZMQCMYCM-MGPQQGTHSA-N 3 1 253.434 2.109 20 0 CEADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099348946 814000659 /nfs/dbraw/zinc/00/06/59/814000659.db2.gz MEPOBMHUIBGOQW-OAHLLOKOSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099348946 814000667 /nfs/dbraw/zinc/00/06/67/814000667.db2.gz MEPOBMHUIBGOQW-OAHLLOKOSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099348946 814000678 /nfs/dbraw/zinc/00/06/78/814000678.db2.gz MEPOBMHUIBGOQW-OAHLLOKOSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C1CCC2(CC1)OCC(C)(C)CO2 ZINC001246550343 814003823 /nfs/dbraw/zinc/00/38/23/814003823.db2.gz OJHASYXMDOEHRR-TZMCWYRMSA-N 2 1 282.428 2.120 20 0 CEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C1CCC2(CC1)OCC(C)(C)CO2 ZINC001246550343 814003828 /nfs/dbraw/zinc/00/38/28/814003828.db2.gz OJHASYXMDOEHRR-TZMCWYRMSA-N 2 1 282.428 2.120 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246559167 814040599 /nfs/dbraw/zinc/04/05/99/814040599.db2.gz ONYJAPHIQNBDFG-KKUMJFAQSA-N 2 1 284.444 2.415 20 0 CEADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246580134 814150279 /nfs/dbraw/zinc/15/02/79/814150279.db2.gz VZABQMFDLKLFIG-OWCLPIDISA-N 3 1 267.461 2.214 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001246585509 814166865 /nfs/dbraw/zinc/16/68/65/814166865.db2.gz XQVJRMJTBJJHEN-OLZOCXBDSA-N 2 1 277.403 2.165 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC)C1 ZINC001091318603 814209060 /nfs/dbraw/zinc/20/90/60/814209060.db2.gz FFIQGACTILBGCS-GPANFISMSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[C@H](C)CC[C@H](C)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246622481 814219949 /nfs/dbraw/zinc/21/99/49/814219949.db2.gz HMKQYEHOJKSEQX-JYJNAYRXSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CCC3(CCOCC3)CC2)CC[NH2+]1 ZINC001246844576 814279730 /nfs/dbraw/zinc/27/97/30/814279730.db2.gz ZHZSCWTWVNGMBE-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146592356 814298658 /nfs/dbraw/zinc/29/86/58/814298658.db2.gz KGZPXDLDCUTZNH-GJZGRUSLSA-N 2 1 283.460 2.166 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1ccccc1C ZINC001146718911 814314267 /nfs/dbraw/zinc/31/42/67/814314267.db2.gz KZSLFSQVJNECCA-OAHLLOKOSA-N 2 1 291.439 2.104 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)CC ZINC001147359144 814428841 /nfs/dbraw/zinc/42/88/41/814428841.db2.gz MALXWGPRSCQHRI-HOTGVXAUSA-N 2 1 297.487 2.393 20 0 CEADMP C([C@H]1CCCOC1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692861886 814611255 /nfs/dbraw/zinc/61/12/55/814611255.db2.gz OFKXMGIFLRYCKO-ZBFHGGJFSA-N 2 1 266.429 2.125 20 0 CEADMP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001086883005 814639645 /nfs/dbraw/zinc/63/96/45/814639645.db2.gz BGSTZXBSGKWBFY-XHSDSOJGSA-N 2 1 295.471 2.145 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](C)C(C)(C)CN)CC1 ZINC001173104760 815581785 /nfs/dbraw/zinc/58/17/85/815581785.db2.gz VAAKEBKLIAAUAK-UHFFFAOYSA-N 2 1 255.450 2.309 20 0 CEADMP CC(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450854 814709442 /nfs/dbraw/zinc/70/94/42/814709442.db2.gz QYZJCIASMHRYDM-HNNXBMFYSA-N 2 1 295.471 2.145 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001173110521 815583001 /nfs/dbraw/zinc/58/30/01/815583001.db2.gz UZSZHIJBGDAOBF-LMPOIIKSSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000712414157 814742532 /nfs/dbraw/zinc/74/25/32/814742532.db2.gz HTBZPSHTZJMTQG-BFHYXJOUSA-N 2 1 252.402 2.290 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000712414157 814742539 /nfs/dbraw/zinc/74/25/39/814742539.db2.gz HTBZPSHTZJMTQG-BFHYXJOUSA-N 2 1 252.402 2.290 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCC3)O2)[C@@H]1C[NH3+] ZINC000712450541 814747897 /nfs/dbraw/zinc/74/78/97/814747897.db2.gz HMSJSFSOTJLTQC-MGPQQGTHSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)O2)[C@@H]1C[NH3+] ZINC000712450541 814747902 /nfs/dbraw/zinc/74/79/02/814747902.db2.gz HMSJSFSOTJLTQC-MGPQQGTHSA-N 2 1 252.402 2.147 20 0 CEADMP CC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730972 814752255 /nfs/dbraw/zinc/75/22/55/814752255.db2.gz WIADUHUKYYNEBD-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC001116293814 814844783 /nfs/dbraw/zinc/84/47/83/814844783.db2.gz YQYNVKYVRRANAL-GJZGRUSLSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CCC[C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC001116293814 814844788 /nfs/dbraw/zinc/84/47/88/814844788.db2.gz YQYNVKYVRRANAL-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP CC1(C)CC[C@@H](C[N@H+]2CCCC[C@H]2CC[NH3+])OC1 ZINC000713597372 814867421 /nfs/dbraw/zinc/86/74/21/814867421.db2.gz SXIGOJVLUUPOAC-KBPBESRZSA-N 2 1 254.418 2.395 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)O1 ZINC000714321596 814893706 /nfs/dbraw/zinc/89/37/06/814893706.db2.gz VDBYMAATTVMTCK-QJPTWQEYSA-N 2 1 294.361 2.403 20 0 CEADMP COc1cccc2c1C[C@H]([N@@H+](C)C1CCN(C)CC1)CO2 ZINC001173151518 815608734 /nfs/dbraw/zinc/60/87/34/815608734.db2.gz HVKCLICMDLWYJS-AWEZNQCLSA-N 2 1 290.407 2.025 20 0 CEADMP COc1cccc2c1C[C@H](N(C)C1CC[NH+](C)CC1)CO2 ZINC001173151518 815608740 /nfs/dbraw/zinc/60/87/40/815608740.db2.gz HVKCLICMDLWYJS-AWEZNQCLSA-N 2 1 290.407 2.025 20 0 CEADMP CC[N@H+]1CC[C@H](n2c3cc(Cl)ccc3nc2C[NH3+])C1 ZINC001173350098 815685286 /nfs/dbraw/zinc/68/52/86/815685286.db2.gz NRAZPXNNVMNLSF-NSHDSACASA-N 2 1 278.787 2.415 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CSCC)C[C@@H]2C1 ZINC001173315822 815690264 /nfs/dbraw/zinc/69/02/64/815690264.db2.gz SSQFPYWMWBUELL-MELADBBJSA-N 2 1 256.459 2.402 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CSCC)C[C@@H]2C1 ZINC001173315822 815690268 /nfs/dbraw/zinc/69/02/68/815690268.db2.gz SSQFPYWMWBUELL-MELADBBJSA-N 2 1 256.459 2.402 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CSCC)C[C@@H]2C1 ZINC001173315822 815690274 /nfs/dbraw/zinc/69/02/74/815690274.db2.gz SSQFPYWMWBUELL-MELADBBJSA-N 2 1 256.459 2.402 20 0 CEADMP CCN1CC[C@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173359268 815699144 /nfs/dbraw/zinc/69/91/44/815699144.db2.gz SQXWZPSOSQBQCB-JYJNAYRXSA-N 2 1 267.461 2.309 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C3CCCCC3)[C@@H](C)C2)C1 ZINC001173367391 815706088 /nfs/dbraw/zinc/70/60/88/815706088.db2.gz HYQMUHSYFCYUNT-DOTOQJQBSA-N 2 1 279.472 2.419 20 0 CEADMP CC[NH+]1CC[C@@H](N2CC[N@@H+](C3CCCCC3)[C@@H](C)C2)C1 ZINC001173367391 815706095 /nfs/dbraw/zinc/70/60/95/815706095.db2.gz HYQMUHSYFCYUNT-DOTOQJQBSA-N 2 1 279.472 2.419 20 0 CEADMP CC[NH+]1CC[C@@H](N2CC[N@H+](C3CCCCC3)[C@@H](C)C2)C1 ZINC001173367391 815706098 /nfs/dbraw/zinc/70/60/98/815706098.db2.gz HYQMUHSYFCYUNT-DOTOQJQBSA-N 2 1 279.472 2.419 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC3(CC[NH2+]CC3)c3ccccc32)C1 ZINC001173372352 815707856 /nfs/dbraw/zinc/70/78/56/815707856.db2.gz PVLOXCJKZFGCMP-HNNXBMFYSA-N 2 1 285.435 2.222 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[N@@H+](C1)[C@@H]2C ZINC001173441117 815718425 /nfs/dbraw/zinc/71/84/25/815718425.db2.gz MOVIDZZXKWIUNB-GBJTYRQASA-N 2 1 282.428 2.181 20 0 CEADMP CN1CCC[C@H]2C[N@H+](C3Cc4cc(F)c(F)cc4C3)C[C@H]21 ZINC001173481936 815727899 /nfs/dbraw/zinc/72/78/99/815727899.db2.gz QOKDVZVKNXXKNA-APPDUMDISA-N 2 1 292.373 2.458 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)CCCCC(=O)OC ZINC001173460732 815738979 /nfs/dbraw/zinc/73/89/79/815738979.db2.gz HADAQLBHCIYNSS-AWEZNQCLSA-N 2 1 272.433 2.382 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc4nccnc34)C[C@@H]2C1 ZINC001138301078 815762466 /nfs/dbraw/zinc/76/24/66/815762466.db2.gz BQAHPLUPJHYONT-HIFRSBDPSA-N 2 1 282.391 2.013 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc4nccnc34)C[C@@H]2C1 ZINC001138301078 815762473 /nfs/dbraw/zinc/76/24/73/815762473.db2.gz BQAHPLUPJHYONT-HIFRSBDPSA-N 2 1 282.391 2.013 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc4nccnc34)C[C@@H]2C1 ZINC001138301078 815762477 /nfs/dbraw/zinc/76/24/77/815762477.db2.gz BQAHPLUPJHYONT-HIFRSBDPSA-N 2 1 282.391 2.013 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001173625531 815768380 /nfs/dbraw/zinc/76/83/80/815768380.db2.gz DKIMFVXGGCXDFQ-RRFJBIMHSA-N 2 1 282.428 2.040 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC001173646503 815790468 /nfs/dbraw/zinc/79/04/68/815790468.db2.gz DLXRJFDVXWVJKX-JKSUJKDBSA-N 2 1 296.455 2.382 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173709715 815799014 /nfs/dbraw/zinc/79/90/14/815799014.db2.gz QMQMKDYBJUEVLQ-AWEZNQCLSA-N 2 1 292.423 2.465 20 0 CEADMP CCCn1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1C ZINC001138638662 815853639 /nfs/dbraw/zinc/85/36/39/815853639.db2.gz ZTCRZPJWPKCFEN-UHFFFAOYSA-N 2 1 278.444 2.375 20 0 CEADMP CCSc1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC001138655537 815862616 /nfs/dbraw/zinc/86/26/16/815862616.db2.gz KSGXRJRIPBBFIM-UHFFFAOYSA-N 2 1 294.468 2.362 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)CCCO4)C[C@@H]2C1 ZINC001138715026 815876125 /nfs/dbraw/zinc/87/61/25/815876125.db2.gz CKLYRGIHERIWJJ-SJORKVTESA-N 2 1 286.419 2.395 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCCO4)C[C@@H]2C1 ZINC001138715026 815876130 /nfs/dbraw/zinc/87/61/30/815876130.db2.gz CKLYRGIHERIWJJ-SJORKVTESA-N 2 1 286.419 2.395 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCCO4)C[C@@H]2C1 ZINC001138715026 815876137 /nfs/dbraw/zinc/87/61/37/815876137.db2.gz CKLYRGIHERIWJJ-SJORKVTESA-N 2 1 286.419 2.395 20 0 CEADMP Cn1ncc2ccc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc21 ZINC001139907827 816137680 /nfs/dbraw/zinc/13/76/80/816137680.db2.gz OPUWPYSDNWMBNX-QGZVFWFLSA-N 2 1 284.407 2.101 20 0 CEADMP Cn1ncc2ccc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc21 ZINC001139907827 816137685 /nfs/dbraw/zinc/13/76/85/816137685.db2.gz OPUWPYSDNWMBNX-QGZVFWFLSA-N 2 1 284.407 2.101 20 0 CEADMP Cn1ncc2ccc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cc21 ZINC001139907827 816137689 /nfs/dbraw/zinc/13/76/89/816137689.db2.gz OPUWPYSDNWMBNX-QGZVFWFLSA-N 2 1 284.407 2.101 20 0 CEADMP Cn1ncc2ccc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)cc21 ZINC001139907827 816137692 /nfs/dbraw/zinc/13/76/92/816137692.db2.gz OPUWPYSDNWMBNX-QGZVFWFLSA-N 2 1 284.407 2.101 20 0 CEADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175255844 816163369 /nfs/dbraw/zinc/16/33/69/816163369.db2.gz HSCWUKMJPUDTMR-HOTGVXAUSA-N 2 1 297.487 2.391 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273256 816167258 /nfs/dbraw/zinc/16/72/58/816167258.db2.gz QMNROXNRUDXYTE-CQSZACIVSA-N 2 1 283.460 2.003 20 0 CEADMP CC[N@H+](Cc1ccc(O)cc1F)C1CCN(C)CC1 ZINC001140127565 816195431 /nfs/dbraw/zinc/19/54/31/816195431.db2.gz ZISJLXRONFEMAT-UHFFFAOYSA-N 2 1 266.360 2.447 20 0 CEADMP CC[N@@H+](Cc1ccc(O)cc1F)C1CCN(C)CC1 ZINC001140127565 816195438 /nfs/dbraw/zinc/19/54/38/816195438.db2.gz ZISJLXRONFEMAT-UHFFFAOYSA-N 2 1 266.360 2.447 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(O)cc3F)C2)CC1 ZINC001140128315 816195565 /nfs/dbraw/zinc/19/55/65/816195565.db2.gz KYGJWPVRCORZSP-UHFFFAOYSA-N 2 1 278.371 2.449 20 0 CEADMP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)c(O)cc3C)C[C@@H]2C1 ZINC001140204704 816209918 /nfs/dbraw/zinc/20/99/18/816209918.db2.gz ZPQTWFQDNKYTNI-HOTGVXAUSA-N 2 1 274.408 2.393 20 0 CEADMP Cn1cnc2cc(C[N@@H+](C)C3CCN(C)CC3)ccc21 ZINC001140509503 816274419 /nfs/dbraw/zinc/27/44/19/816274419.db2.gz MAUMZTXFUWXIPQ-UHFFFAOYSA-N 2 1 272.396 2.099 20 0 CEADMP Cc1ccc2c(C[NH+]3CC(C)(C[NH3+])C3)cccc2n1 ZINC001206745339 816348726 /nfs/dbraw/zinc/34/87/26/816348726.db2.gz UZBZEKCVTODPKP-UHFFFAOYSA-N 2 1 255.365 2.324 20 0 CEADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc3n[nH]cc3c2)C1 ZINC001206622565 816373326 /nfs/dbraw/zinc/37/33/26/816373326.db2.gz FUHFGKJZMNMECN-ZDUSSCGKSA-N 2 1 258.369 2.124 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]C(C)C ZINC001176292613 816379771 /nfs/dbraw/zinc/37/97/71/816379771.db2.gz LOQIFXBJMDXMIH-CQSZACIVSA-N 2 1 271.449 2.001 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3[nH]cc(C)c3C)C[C@@H]2C1 ZINC001140864609 816388206 /nfs/dbraw/zinc/38/82/06/816388206.db2.gz YVPWIADVXGWCIR-GASCZTMLSA-N 2 1 261.413 2.405 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3[nH]cc(C)c3C)C[C@@H]2C1 ZINC001140864609 816388214 /nfs/dbraw/zinc/38/82/14/816388214.db2.gz YVPWIADVXGWCIR-GASCZTMLSA-N 2 1 261.413 2.405 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3[nH]cc(C)c3C)C[C@@H]2C1 ZINC001140864609 816388221 /nfs/dbraw/zinc/38/82/21/816388221.db2.gz YVPWIADVXGWCIR-GASCZTMLSA-N 2 1 261.413 2.405 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3[nH]cc(C)c3C)C[C@@H]2C1 ZINC001140864609 816388229 /nfs/dbraw/zinc/38/82/29/816388229.db2.gz YVPWIADVXGWCIR-GASCZTMLSA-N 2 1 261.413 2.405 20 0 CEADMP CC[N@@H+](CCn1ccnc1)Cc1ccc2c(c1)OCCO2 ZINC001141042047 816457536 /nfs/dbraw/zinc/45/75/36/816457536.db2.gz VMODKSYOOSHJSZ-UHFFFAOYSA-N 2 1 287.363 2.176 20 0 CEADMP CCCCc1nc(CN2C[C@@H]3C[N@H+](CC)C[C@@H]3C2)c[nH]1 ZINC001141072969 816470652 /nfs/dbraw/zinc/47/06/52/816470652.db2.gz BUQAQLHWZHWGRH-OKILXGFUSA-N 2 1 276.428 2.136 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1O ZINC001206295009 816526182 /nfs/dbraw/zinc/52/61/82/816526182.db2.gz KWVXKYOISUXHOO-MRXNPFEDSA-N 2 1 278.396 2.352 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3c(c2)OCO3)CC1 ZINC001206295278 816530807 /nfs/dbraw/zinc/53/08/07/816530807.db2.gz LUXVFEFUUYMRQD-MRXNPFEDSA-N 2 1 276.380 2.366 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206303576 816566299 /nfs/dbraw/zinc/56/62/99/816566299.db2.gz CXHGKXYINSBGRN-OAHLLOKOSA-N 2 1 264.417 2.415 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cn1 ZINC001206305074 816572387 /nfs/dbraw/zinc/57/23/87/816572387.db2.gz SMSPEFCFCCAUFY-OAHLLOKOSA-N 2 1 264.417 2.415 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccn3nccc3c2)CC1 ZINC001206324827 816716229 /nfs/dbraw/zinc/71/62/29/816716229.db2.gz DOVKLSHKFCSDBX-MRXNPFEDSA-N 2 1 272.396 2.285 20 0 CEADMP O=C(CC[NH+]1CCCCC1)Nc1ccnn1-c1cc[nH+]cc1 ZINC001142913116 816754353 /nfs/dbraw/zinc/75/43/53/816754353.db2.gz JCZZKZVIZYDLMQ-UHFFFAOYSA-N 2 1 299.378 2.082 20 0 CEADMP C[N@H+](Cc1ccc2nccn2c1)CC1CC[NH+](C)CC1 ZINC001143028866 816777238 /nfs/dbraw/zinc/77/72/38/816777238.db2.gz JYVOFFADBZPDMR-UHFFFAOYSA-N 2 1 272.396 2.108 20 0 CEADMP CC(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001178902281 816813416 /nfs/dbraw/zinc/81/34/16/816813416.db2.gz JGJXJSMCWLJHHT-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP Cn1c(CCC[NH2+]Cc2ccn[nH]2)nc2ccccc21 ZINC000124387859 187135337 /nfs/dbraw/zinc/13/53/37/187135337.db2.gz ZCJGGUNTSIGAOZ-UHFFFAOYSA-N 2 1 269.352 2.019 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000337409855 214064165 /nfs/dbraw/zinc/06/41/65/214064165.db2.gz VKJCYZSICSHICD-LSDHHAIUSA-N 2 1 265.401 2.376 20 0 CEADMP COCC1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000449084611 282094040 /nfs/dbraw/zinc/09/40/40/282094040.db2.gz YIUQNDVVNDSCTH-FJBKBRRZSA-N 2 1 266.429 2.408 20 0 CEADMP COCC1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000449084611 282094045 /nfs/dbraw/zinc/09/40/45/282094045.db2.gz YIUQNDVVNDSCTH-FJBKBRRZSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]1C[N@@H+](CC2=CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000336196926 365524660 /nfs/dbraw/zinc/52/46/60/365524660.db2.gz FJRKYBJXGLUXCG-WMZOPIPTSA-N 2 1 291.483 2.445 20 0 CEADMP C[C@H]1C[N@H+](CC2=CCCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000336196926 365524664 /nfs/dbraw/zinc/52/46/64/365524664.db2.gz FJRKYBJXGLUXCG-WMZOPIPTSA-N 2 1 291.483 2.445 20 0 CEADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449148956 282119948 /nfs/dbraw/zinc/11/99/48/282119948.db2.gz LTXLBRBWZBCHCB-KFWWJZLASA-N 2 1 295.471 2.096 20 0 CEADMP COc1c(C)cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1C ZINC000336537783 365615857 /nfs/dbraw/zinc/61/58/57/365615857.db2.gz KPXFLNLABBQCRB-ZFWWWQNUSA-N 2 1 262.397 2.481 20 0 CEADMP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1)[NH+](C)C ZINC000122505729 365629090 /nfs/dbraw/zinc/62/90/90/365629090.db2.gz QFVZKSVGYMPUGG-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)CN(C(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000123658334 365640453 /nfs/dbraw/zinc/64/04/53/365640453.db2.gz FTCYDWLQXKSUEQ-JKSUJKDBSA-N 2 1 297.487 2.294 20 0 CEADMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CC[NH+]1CCCCC1 ZINC000336561925 365647808 /nfs/dbraw/zinc/64/78/08/365647808.db2.gz RYJYDMQNXSNIGH-JKSUJKDBSA-N 2 1 265.445 2.031 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@@H]1CO ZINC000621369231 349581635 /nfs/dbraw/zinc/58/16/35/349581635.db2.gz KDEXFOHCTYBCES-GDBMZVCRSA-N 2 1 285.391 2.323 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000567681554 299074841 /nfs/dbraw/zinc/07/48/41/299074841.db2.gz VSTTWQZMXRVCOT-VXGBXAGGSA-N 2 1 282.350 2.010 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000567681554 299074845 /nfs/dbraw/zinc/07/48/45/299074845.db2.gz VSTTWQZMXRVCOT-VXGBXAGGSA-N 2 1 282.350 2.010 20 0 CEADMP CC(C)[NH+](CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C(C)C ZINC000036907534 361870365 /nfs/dbraw/zinc/87/03/65/361870365.db2.gz PUSWTCPOGWLBRK-OWCLPIDISA-N 2 1 269.477 2.424 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1F ZINC000036928415 361872328 /nfs/dbraw/zinc/87/23/28/361872328.db2.gz KVZGZTTZIBZJMU-LBPRGKRZSA-N 2 1 252.333 2.005 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1F ZINC000036928415 361872333 /nfs/dbraw/zinc/87/23/33/361872333.db2.gz KVZGZTTZIBZJMU-LBPRGKRZSA-N 2 1 252.333 2.005 20 0 CEADMP c1ccc2c(c1)CC([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000037648891 361917868 /nfs/dbraw/zinc/91/78/68/361917868.db2.gz YTIMZLYWWYKFHL-ZDUSSCGKSA-N 2 1 256.393 2.228 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337995926 214351938 /nfs/dbraw/zinc/35/19/38/214351938.db2.gz XVQFLPBBVMCZRB-ZBFHGGJFSA-N 2 1 286.435 2.341 20 0 CEADMP C[N@@H+](CCc1nccs1)CC[C@@H]1CCCC[NH+]1C ZINC000337997741 214351192 /nfs/dbraw/zinc/35/11/92/214351192.db2.gz NVLJIRKDEDZAER-ZDUSSCGKSA-N 2 1 267.442 2.492 20 0 CEADMP C[N@H+](CCc1nccs1)CC[C@@H]1CCCC[NH+]1C ZINC000337997741 214351193 /nfs/dbraw/zinc/35/11/93/214351193.db2.gz NVLJIRKDEDZAER-ZDUSSCGKSA-N 2 1 267.442 2.492 20 0 CEADMP C[NH+](CCc1nccs1)CC[C@@H]1CCCC[N@@H+]1C ZINC000337997741 214351195 /nfs/dbraw/zinc/35/11/95/214351195.db2.gz NVLJIRKDEDZAER-ZDUSSCGKSA-N 2 1 267.442 2.492 20 0 CEADMP C[NH+](CCc1nccs1)CC[C@@H]1CCCC[N@H+]1C ZINC000337997741 214351197 /nfs/dbraw/zinc/35/11/97/214351197.db2.gz NVLJIRKDEDZAER-ZDUSSCGKSA-N 2 1 267.442 2.492 20 0 CEADMP CC[C@@H]([NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000350784765 219060606 /nfs/dbraw/zinc/06/06/06/219060606.db2.gz UMHYAHAFULCRQO-GFCCVEGCSA-N 2 1 260.341 2.208 20 0 CEADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CCC1 ZINC000449305844 282180686 /nfs/dbraw/zinc/18/06/86/282180686.db2.gz UQOHYZHHXBIVPE-OAHLLOKOSA-N 2 1 267.461 2.181 20 0 CEADMP CCOc1cncc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000621719762 349676543 /nfs/dbraw/zinc/67/65/43/349676543.db2.gz VUBVSKVTEXVNOW-WBVHZDCISA-N 2 1 289.423 2.396 20 0 CEADMP CC(C)c1[nH+]c(CN(C)CC2C[NH+](C)C2)c2ccccn21 ZINC000668538982 539193534 /nfs/dbraw/zinc/19/35/34/539193534.db2.gz IXUFFPWPTXSXPQ-UHFFFAOYSA-N 2 1 286.423 2.451 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000090408985 539186447 /nfs/dbraw/zinc/18/64/47/539186447.db2.gz UOBFCZKCKGKLIB-PWSUYJOCSA-N 2 1 253.415 2.444 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000090408985 539186449 /nfs/dbraw/zinc/18/64/49/539186449.db2.gz UOBFCZKCKGKLIB-PWSUYJOCSA-N 2 1 253.415 2.444 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125948148 365691831 /nfs/dbraw/zinc/69/18/31/365691831.db2.gz ORACVWRELOAVQF-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP COc1ccc(OCCC[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621780164 349701202 /nfs/dbraw/zinc/70/12/02/349701202.db2.gz OBSQGQFDMHCLBS-RHSMWYFYSA-N 2 1 290.407 2.277 20 0 CEADMP COc1ccc(OCCC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621780164 349701206 /nfs/dbraw/zinc/70/12/06/349701206.db2.gz OBSQGQFDMHCLBS-RHSMWYFYSA-N 2 1 290.407 2.277 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000621783012 349702330 /nfs/dbraw/zinc/70/23/30/349702330.db2.gz WCBPKLFYLIRRQE-NVXWUHKLSA-N 2 1 282.391 2.186 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000621783012 349702332 /nfs/dbraw/zinc/70/23/32/349702332.db2.gz WCBPKLFYLIRRQE-NVXWUHKLSA-N 2 1 282.391 2.186 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000449339979 282192904 /nfs/dbraw/zinc/19/29/04/282192904.db2.gz ZWKTYPURLFYHME-BZUAXINKSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccncc1 ZINC000677239973 539212911 /nfs/dbraw/zinc/21/29/11/539212911.db2.gz BKTSXRYJUNCKBF-KBMXLJTQSA-N 2 1 259.397 2.402 20 0 CEADMP CC(=O)N1CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c2ccccc21 ZINC000621761684 349695427 /nfs/dbraw/zinc/69/54/27/349695427.db2.gz LDGDOLLZEVOGQI-BBRMVZONSA-N 2 1 289.423 2.272 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000621775125 349697300 /nfs/dbraw/zinc/69/73/00/349697300.db2.gz GUSODTNHHFZAIN-NSHDSACASA-N 2 1 253.777 2.296 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000261617690 539227589 /nfs/dbraw/zinc/22/75/89/539227589.db2.gz UGFCCOKMRZZODV-GJZGRUSLSA-N 2 1 260.381 2.187 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000261617690 539227590 /nfs/dbraw/zinc/22/75/90/539227590.db2.gz UGFCCOKMRZZODV-GJZGRUSLSA-N 2 1 260.381 2.187 20 0 CEADMP COCC[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000127178341 539244427 /nfs/dbraw/zinc/24/44/27/539244427.db2.gz YQDRTKGVXMQKPB-UHFFFAOYSA-N 2 1 292.423 2.239 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@@H](C)C1 ZINC000449367782 282202804 /nfs/dbraw/zinc/20/28/04/282202804.db2.gz YTVBFVMESXOJIE-JONQDZQNSA-N 2 1 295.471 2.083 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000300413172 539249947 /nfs/dbraw/zinc/24/99/47/539249947.db2.gz YXTPGUXBPAFABX-ZIAGYGMSSA-N 3 1 255.450 2.037 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000300413172 539249948 /nfs/dbraw/zinc/24/99/48/539249948.db2.gz YXTPGUXBPAFABX-ZIAGYGMSSA-N 3 1 255.450 2.037 20 0 CEADMP CCC(O)(CC)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000305842464 539258798 /nfs/dbraw/zinc/25/87/98/539258798.db2.gz RQMRVUSCMKOBSK-UHFFFAOYSA-N 2 1 253.390 2.065 20 0 CEADMP CCC(O)(CC)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000305842464 539258799 /nfs/dbraw/zinc/25/87/99/539258799.db2.gz RQMRVUSCMKOBSK-UHFFFAOYSA-N 2 1 253.390 2.065 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000567752424 299086247 /nfs/dbraw/zinc/08/62/47/299086247.db2.gz KJKQWWRAGMUSAK-GJZGRUSLSA-N 3 1 255.450 2.358 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CC=CCC2)CCO1 ZINC000668785367 539272084 /nfs/dbraw/zinc/27/20/84/539272084.db2.gz PCEJVEPQASBZDB-CVEARBPZSA-N 2 1 266.429 2.385 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000042341504 362085711 /nfs/dbraw/zinc/08/57/11/362085711.db2.gz VSWKRQAMFVXCDG-DOMZBBRYSA-N 2 1 282.815 2.447 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000622133690 349800040 /nfs/dbraw/zinc/80/00/40/349800040.db2.gz GUSHGOVQYUFLLR-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000622133690 349800042 /nfs/dbraw/zinc/80/00/42/349800042.db2.gz GUSHGOVQYUFLLR-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000622133690 349800046 /nfs/dbraw/zinc/80/00/46/349800046.db2.gz GUSHGOVQYUFLLR-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C1CC1 ZINC000344010280 282248905 /nfs/dbraw/zinc/24/89/05/282248905.db2.gz HNKCWFSHQZQGRE-GBJTYRQASA-N 2 1 266.429 2.120 20 0 CEADMP COC(=O)CCC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000127398862 365744621 /nfs/dbraw/zinc/74/46/21/365744621.db2.gz OBTKMPZOSNSTIR-UHFFFAOYSA-N 2 1 293.411 2.247 20 0 CEADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CCC[N@H+]3C)ccc21 ZINC000334734291 282271909 /nfs/dbraw/zinc/27/19/09/282271909.db2.gz OMRJYFCEZNPEBP-JKSUJKDBSA-N 2 1 287.407 2.268 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCOCc3ccccc3)C[C@@H]12 ZINC000336657397 365751647 /nfs/dbraw/zinc/75/16/47/365751647.db2.gz RKFVHRFCOVCZFJ-GVDBMIGSSA-N 2 1 274.408 2.262 20 0 CEADMP CCC(CC)[C@H](CN[C@@H]1C[N@@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000343268801 282276915 /nfs/dbraw/zinc/27/69/15/282276915.db2.gz GOVZPBJMJUKYSS-UAGQMJEPSA-N 2 1 281.488 2.427 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@@H]1CN(C)C[C@@H]1C)[NH+]1CCCC1 ZINC000343268801 282276917 /nfs/dbraw/zinc/27/69/17/282276917.db2.gz GOVZPBJMJUKYSS-UAGQMJEPSA-N 2 1 281.488 2.427 20 0 CEADMP c1ccc(COCCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000336697607 365765401 /nfs/dbraw/zinc/76/54/01/365765401.db2.gz BGJQQERGTNRNLO-KRWDZBQOSA-N 2 1 274.408 2.279 20 0 CEADMP C[N@@H+](CCCNC(=O)C1(C[NH3+])CCCC1)C1CCCCC1 ZINC000128030040 365772252 /nfs/dbraw/zinc/77/22/52/365772252.db2.gz PDYWZKGPJXLYPS-UHFFFAOYSA-N 2 1 295.471 2.276 20 0 CEADMP CSC[C@@H]1CCC[N@@H+](CCn2ccnc2C)C1 ZINC000336715235 365778508 /nfs/dbraw/zinc/77/85/08/365778508.db2.gz PJHDUARFIMGLKN-CYBMUJFWSA-N 2 1 253.415 2.267 20 0 CEADMP CO[C@H](C)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336721795 365784241 /nfs/dbraw/zinc/78/42/41/365784241.db2.gz UWAKHIYPATWLLI-NJAFHUGGSA-N 2 1 288.435 2.475 20 0 CEADMP CO[C@H](C)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336721795 365784247 /nfs/dbraw/zinc/78/42/47/365784247.db2.gz UWAKHIYPATWLLI-NJAFHUGGSA-N 2 1 288.435 2.475 20 0 CEADMP CO[C@H](C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336721795 365784251 /nfs/dbraw/zinc/78/42/51/365784251.db2.gz UWAKHIYPATWLLI-NJAFHUGGSA-N 2 1 288.435 2.475 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CSC2)C1 ZINC000679624716 539340095 /nfs/dbraw/zinc/34/00/95/539340095.db2.gz HLEAFMSFSNDNGR-BETUJISGSA-N 2 1 256.459 2.450 20 0 CEADMP CCc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)s1 ZINC000066594013 343718200 /nfs/dbraw/zinc/71/82/00/343718200.db2.gz XRGBQRPQHUPVRV-UHFFFAOYSA-N 2 1 295.496 2.428 20 0 CEADMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)cc(OC)c1 ZINC000069754127 343790915 /nfs/dbraw/zinc/79/09/15/343790915.db2.gz MMFYVLXQMFPCCL-UHFFFAOYSA-N 2 1 289.379 2.389 20 0 CEADMP Cc1nc(C[NH2+]CCCn2cc[nH+]c2C)cs1 ZINC000069754298 343790995 /nfs/dbraw/zinc/79/09/95/343790995.db2.gz HORGMJMZJJUOMP-UHFFFAOYSA-N 2 1 250.371 2.136 20 0 CEADMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1O ZINC000069754056 343791026 /nfs/dbraw/zinc/79/10/26/343791026.db2.gz LYKWHIRNJVNNCK-UHFFFAOYSA-N 2 1 275.352 2.086 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000273172681 192065891 /nfs/dbraw/zinc/06/58/91/192065891.db2.gz CFHURWNUPGBFTC-CHWSQXEVSA-N 2 1 295.427 2.165 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000273172689 192065916 /nfs/dbraw/zinc/06/59/16/192065916.db2.gz CFHURWNUPGBFTC-STQMWFEESA-N 2 1 295.427 2.165 20 0 CEADMP COC[C@@H](C)[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000072662225 343808649 /nfs/dbraw/zinc/80/86/49/343808649.db2.gz WZKKVCVHYNQNLU-CYBMUJFWSA-N 2 1 263.385 2.301 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)N2CCCCC2)C1 ZINC000076002255 343875524 /nfs/dbraw/zinc/87/55/24/343875524.db2.gz YKWCWOSARSZKDR-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CCC1(O)CCC1 ZINC000411116169 529930128 /nfs/dbraw/zinc/93/01/28/529930128.db2.gz PRRXUUXUEGGQQP-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CCC1(O)CCC1 ZINC000411116169 529930130 /nfs/dbraw/zinc/93/01/30/529930130.db2.gz PRRXUUXUEGGQQP-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CCC1(O)CCC1 ZINC000411116169 529930131 /nfs/dbraw/zinc/93/01/31/529930131.db2.gz PRRXUUXUEGGQQP-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449640212 282315243 /nfs/dbraw/zinc/31/52/43/282315243.db2.gz APXDPDCWOXXUDO-KBPBESRZSA-N 2 1 292.427 2.030 20 0 CEADMP Cc1cccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)[nH+]1 ZINC000077316551 343917033 /nfs/dbraw/zinc/91/70/33/343917033.db2.gz LRZKKCMJGDTBBB-AWEZNQCLSA-N 2 1 275.396 2.303 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](n2cccn2)C1 ZINC000351580149 219133075 /nfs/dbraw/zinc/13/30/75/219133075.db2.gz DBHSNFXMLQHKFE-HZPDHXFCSA-N 2 1 276.428 2.394 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000351580149 219133077 /nfs/dbraw/zinc/13/30/77/219133077.db2.gz DBHSNFXMLQHKFE-HZPDHXFCSA-N 2 1 276.428 2.394 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000351580149 219133079 /nfs/dbraw/zinc/13/30/79/219133079.db2.gz DBHSNFXMLQHKFE-HZPDHXFCSA-N 2 1 276.428 2.394 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000093311145 344218928 /nfs/dbraw/zinc/21/89/28/344218928.db2.gz YYRBPXVVKVMAIT-HNNXBMFYSA-N 2 1 287.407 2.465 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000093311145 344218930 /nfs/dbraw/zinc/21/89/30/344218930.db2.gz YYRBPXVVKVMAIT-HNNXBMFYSA-N 2 1 287.407 2.465 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+][C@]1(C)CCCc2ccccc21)C1CC1 ZINC000351595612 219138915 /nfs/dbraw/zinc/13/89/15/219138915.db2.gz RNGBQUNAIYKFTQ-FUHWJXTLSA-N 2 1 288.435 2.283 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+][C@]1(C)CCCc2ccccc21)C1CC1 ZINC000351595612 219138917 /nfs/dbraw/zinc/13/89/17/219138917.db2.gz RNGBQUNAIYKFTQ-FUHWJXTLSA-N 2 1 288.435 2.283 20 0 CEADMP C[C@H](NCCF)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000166574267 344476542 /nfs/dbraw/zinc/47/65/42/344476542.db2.gz VIHKJXSQFMOHSZ-DZGCQCFKSA-N 2 1 250.361 2.456 20 0 CEADMP C[C@H]([NH2+]CCF)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000166574267 344476544 /nfs/dbraw/zinc/47/65/44/344476544.db2.gz VIHKJXSQFMOHSZ-DZGCQCFKSA-N 2 1 250.361 2.456 20 0 CEADMP C[C@H]([NH2+]CCF)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000166574267 344476546 /nfs/dbraw/zinc/47/65/46/344476546.db2.gz VIHKJXSQFMOHSZ-DZGCQCFKSA-N 2 1 250.361 2.456 20 0 CEADMP CCC[N@@H+](CCc1scnc1C)C1CC[NH2+]CC1 ZINC000050285416 362413742 /nfs/dbraw/zinc/41/37/42/362413742.db2.gz BJJBWOMJULHZSS-UHFFFAOYSA-N 2 1 267.442 2.458 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(C)C)CC1 ZINC000311005671 344732847 /nfs/dbraw/zinc/73/28/47/344732847.db2.gz JCULPROGYWGDBJ-LSDHHAIUSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000311005671 344732848 /nfs/dbraw/zinc/73/28/48/344732848.db2.gz JCULPROGYWGDBJ-LSDHHAIUSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000311005671 344732850 /nfs/dbraw/zinc/73/28/50/344732850.db2.gz JCULPROGYWGDBJ-LSDHHAIUSA-N 2 1 256.434 2.057 20 0 CEADMP CC[N@H+](C)C[C@@H](O)CN(C)[C@H](C)Cc1ccccc1C ZINC000584789011 344987514 /nfs/dbraw/zinc/98/75/14/344987514.db2.gz UDUPXWIMZNMHMZ-NVXWUHKLSA-N 2 1 278.440 2.170 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN(C)[C@H](C)Cc1ccccc1C ZINC000584789011 344987517 /nfs/dbraw/zinc/98/75/17/344987517.db2.gz UDUPXWIMZNMHMZ-NVXWUHKLSA-N 2 1 278.440 2.170 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)Cc1ccccc1C ZINC000584789011 344987519 /nfs/dbraw/zinc/98/75/19/344987519.db2.gz UDUPXWIMZNMHMZ-NVXWUHKLSA-N 2 1 278.440 2.170 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)Cc1ccccc1C ZINC000584789011 344987521 /nfs/dbraw/zinc/98/75/21/344987521.db2.gz UDUPXWIMZNMHMZ-NVXWUHKLSA-N 2 1 278.440 2.170 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000584789011 344987524 /nfs/dbraw/zinc/98/75/24/344987524.db2.gz UDUPXWIMZNMHMZ-NVXWUHKLSA-N 2 1 278.440 2.170 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000584789011 344987526 /nfs/dbraw/zinc/98/75/26/344987526.db2.gz UDUPXWIMZNMHMZ-NVXWUHKLSA-N 2 1 278.440 2.170 20 0 CEADMP CCSCC[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000590602185 345150707 /nfs/dbraw/zinc/15/07/07/345150707.db2.gz GPCWPLCYGWGWBZ-UONOGXRCSA-N 2 1 276.490 2.151 20 0 CEADMP CCSCC[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000590602185 345150710 /nfs/dbraw/zinc/15/07/10/345150710.db2.gz GPCWPLCYGWGWBZ-UONOGXRCSA-N 2 1 276.490 2.151 20 0 CEADMP CCSCC[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000590602185 345150712 /nfs/dbraw/zinc/15/07/12/345150712.db2.gz GPCWPLCYGWGWBZ-UONOGXRCSA-N 2 1 276.490 2.151 20 0 CEADMP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591866716 345289353 /nfs/dbraw/zinc/28/93/53/345289353.db2.gz DKXYCIUSTDGCDN-LSDHHAIUSA-N 2 1 292.427 2.071 20 0 CEADMP CC(C)CCNC(=O)[C@H](C)N1CCC[C@@H](n2ccnc2)C1 ZINC000591866716 345289356 /nfs/dbraw/zinc/28/93/56/345289356.db2.gz DKXYCIUSTDGCDN-LSDHHAIUSA-N 2 1 292.427 2.071 20 0 CEADMP C([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCSCC1 ZINC000229216747 539455507 /nfs/dbraw/zinc/45/55/07/539455507.db2.gz HJSGPXYSPIYIFV-KBPBESRZSA-N 2 1 254.443 2.346 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C1CCSCC1 ZINC000229216747 539455511 /nfs/dbraw/zinc/45/55/11/539455511.db2.gz HJSGPXYSPIYIFV-KBPBESRZSA-N 2 1 254.443 2.346 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592425569 345351659 /nfs/dbraw/zinc/35/16/59/345351659.db2.gz JJEYLYLTINCGHA-KBPBESRZSA-N 2 1 282.428 2.040 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cc(C(=O)OC)sc2C)CC[C@@H]1[NH3+] ZINC000592488222 345359471 /nfs/dbraw/zinc/35/94/71/345359471.db2.gz HICXDWROOUZUQE-AAEUAGOBSA-N 2 1 296.436 2.402 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cc(C(=O)OC)sc2C)CC[C@@H]1[NH3+] ZINC000592488222 345359475 /nfs/dbraw/zinc/35/94/75/345359475.db2.gz HICXDWROOUZUQE-AAEUAGOBSA-N 2 1 296.436 2.402 20 0 CEADMP COc1cc(C[NH2+]CCC[NH+](C)C)ccc1Cl ZINC000083418586 539466580 /nfs/dbraw/zinc/46/65/80/539466580.db2.gz RHQFKPUFWLYIGB-UHFFFAOYSA-N 2 1 256.777 2.390 20 0 CEADMP COC(=O)CC1CC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000595082032 345739966 /nfs/dbraw/zinc/73/99/66/345739966.db2.gz WUGNHFBNTYQCGZ-SLTAFYQDSA-N 2 1 294.439 2.325 20 0 CEADMP COC(=O)CC1CC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000595082032 345739968 /nfs/dbraw/zinc/73/99/68/345739968.db2.gz WUGNHFBNTYQCGZ-SLTAFYQDSA-N 2 1 294.439 2.325 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000594926917 345704773 /nfs/dbraw/zinc/70/47/73/345704773.db2.gz XUECGVQSJSQDPJ-YIDVYQOGSA-N 2 1 296.455 2.142 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594976338 345720961 /nfs/dbraw/zinc/72/09/61/345720961.db2.gz ABYINKLYPPPQAT-WMHQRMGPSA-N 2 1 294.439 2.181 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000594976338 345720962 /nfs/dbraw/zinc/72/09/62/345720962.db2.gz ABYINKLYPPPQAT-WMHQRMGPSA-N 2 1 294.439 2.181 20 0 CEADMP C[C@H](CSCCF)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000595011308 345726549 /nfs/dbraw/zinc/72/65/49/345726549.db2.gz LYLKDGOEKNSLSH-JHJVBQTASA-N 2 1 260.422 2.294 20 0 CEADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000595016219 345727292 /nfs/dbraw/zinc/72/72/92/345727292.db2.gz IPACTARNXWGNOO-TZMCWYRMSA-N 2 1 284.444 2.284 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)[C@@H]2CCC[C@H]21 ZINC000595061966 345737493 /nfs/dbraw/zinc/73/74/93/345737493.db2.gz PXDLBNJOYQNWFW-COHVLZGSSA-N 2 1 298.496 2.139 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)[C@@H]2CCC[C@H]21 ZINC000595061966 345737495 /nfs/dbraw/zinc/73/74/95/345737495.db2.gz PXDLBNJOYQNWFW-COHVLZGSSA-N 2 1 298.496 2.139 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)CC1 ZINC000595332407 345763251 /nfs/dbraw/zinc/76/32/51/345763251.db2.gz GKFFMUXZZVFWPD-XMTFNYHQSA-N 2 1 291.483 2.133 20 0 CEADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000595331283 345763373 /nfs/dbraw/zinc/76/33/73/345763373.db2.gz UNOREUYQDXTQOJ-QLFBSQMISA-N 2 1 288.501 2.294 20 0 CEADMP CCS[C@@H]1CC[C@@H]([NH+](C)C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000595331283 345763375 /nfs/dbraw/zinc/76/33/75/345763375.db2.gz UNOREUYQDXTQOJ-QLFBSQMISA-N 2 1 288.501 2.294 20 0 CEADMP CCS[C@@H]1CC[C@@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000595331283 345763377 /nfs/dbraw/zinc/76/33/77/345763377.db2.gz UNOREUYQDXTQOJ-QLFBSQMISA-N 2 1 288.501 2.294 20 0 CEADMP COC(=O)C[N@H+](CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000595669290 345844619 /nfs/dbraw/zinc/84/46/19/345844619.db2.gz SHSLTDOXFRXZQF-UHFFFAOYSA-N 2 1 293.411 2.389 20 0 CEADMP COC(=O)C[N@@H+](CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000595669290 345844624 /nfs/dbraw/zinc/84/46/24/345844624.db2.gz SHSLTDOXFRXZQF-UHFFFAOYSA-N 2 1 293.411 2.389 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc2ccccn12 ZINC000596646439 346070747 /nfs/dbraw/zinc/07/07/47/346070747.db2.gz NZCWPCBJPTTYQM-UHFFFAOYSA-N 2 1 269.352 2.019 20 0 CEADMP CCn1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cn1 ZINC000062079401 362705017 /nfs/dbraw/zinc/70/50/17/362705017.db2.gz BQQHEZBYOQYNKB-KGLIPLIRSA-N 2 1 264.417 2.286 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)CC1(C)C ZINC000598981108 346441150 /nfs/dbraw/zinc/44/11/50/346441150.db2.gz MMEOCJUSBDSGRL-ZYKCCNLVSA-N 2 1 286.485 2.139 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)CC1(C)C ZINC000598981108 346441153 /nfs/dbraw/zinc/44/11/53/346441153.db2.gz MMEOCJUSBDSGRL-ZYKCCNLVSA-N 2 1 286.485 2.139 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000063195136 362758913 /nfs/dbraw/zinc/75/89/13/362758913.db2.gz VPTPXVOZGADLOL-DOMZBBRYSA-N 2 1 293.386 2.356 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000063195136 362758915 /nfs/dbraw/zinc/75/89/15/362758915.db2.gz VPTPXVOZGADLOL-DOMZBBRYSA-N 2 1 293.386 2.356 20 0 CEADMP CCC[N@H+](CCn1cc[nH+]c1C)C[C@H]1CCCCO1 ZINC000336799003 365824603 /nfs/dbraw/zinc/82/46/03/365824603.db2.gz HBEPKPKCXWVSEW-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP CCC[N@@H+](CCn1cc[nH+]c1C)C[C@H]1CCCCO1 ZINC000336799003 365824606 /nfs/dbraw/zinc/82/46/06/365824606.db2.gz HBEPKPKCXWVSEW-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)C1Cc2ccccc2C1 ZINC000336797631 365822682 /nfs/dbraw/zinc/82/26/82/365822682.db2.gz AZUCIUGORQBSEU-UHFFFAOYSA-N 2 1 255.365 2.291 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)C1Cc2ccccc2C1 ZINC000336797631 365822684 /nfs/dbraw/zinc/82/26/84/365822684.db2.gz AZUCIUGORQBSEU-UHFFFAOYSA-N 2 1 255.365 2.291 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C[C@H]1c1ccccc1 ZINC000568049646 539549131 /nfs/dbraw/zinc/54/91/31/539549131.db2.gz RORCVYPLGPXMLC-HPBDAGMYSA-N 2 1 286.419 2.349 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C[C@H]1c1ccccc1 ZINC000568049646 539549136 /nfs/dbraw/zinc/54/91/36/539549136.db2.gz RORCVYPLGPXMLC-HPBDAGMYSA-N 2 1 286.419 2.349 20 0 CEADMP C(CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)CC1CCOCC1 ZINC000336814588 365855399 /nfs/dbraw/zinc/85/53/99/365855399.db2.gz XMVGHTQJRFGGTQ-MRXNPFEDSA-N 2 1 266.429 2.269 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2)CC[N@H+]1C ZINC000129464547 365861418 /nfs/dbraw/zinc/86/14/18/365861418.db2.gz RQOGVFHVYUGGEJ-WFASDCNBSA-N 2 1 250.361 2.441 20 0 CEADMP CCOC(=O)CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110049 347288959 /nfs/dbraw/zinc/28/89/59/347288959.db2.gz KMRGIQGWAYTDIQ-UHFFFAOYSA-N 2 1 270.417 2.138 20 0 CEADMP C[C@H](F)CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000351834075 219220143 /nfs/dbraw/zinc/22/01/43/219220143.db2.gz KCHNMAPACKIMJB-DOTOQJQBSA-N 2 1 294.414 2.303 20 0 CEADMP C[C@H](F)CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000351834075 219220146 /nfs/dbraw/zinc/22/01/46/219220146.db2.gz KCHNMAPACKIMJB-DOTOQJQBSA-N 2 1 294.414 2.303 20 0 CEADMP C[C@H](F)CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000351834075 219220147 /nfs/dbraw/zinc/22/01/47/219220147.db2.gz KCHNMAPACKIMJB-DOTOQJQBSA-N 2 1 294.414 2.303 20 0 CEADMP C[C@H](F)CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000351834075 219220150 /nfs/dbraw/zinc/22/01/50/219220150.db2.gz KCHNMAPACKIMJB-DOTOQJQBSA-N 2 1 294.414 2.303 20 0 CEADMP CC[NH+](CCC[N@H+](CC)C[C@@H]1CCOC1)C[C@@H]1CCOC1 ZINC000607152804 347510340 /nfs/dbraw/zinc/51/03/40/347510340.db2.gz TWOOYDOXQMTYOW-IRXDYDNUSA-N 2 1 298.471 2.093 20 0 CEADMP Cn1cc(CCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000608499805 347597748 /nfs/dbraw/zinc/59/77/48/347597748.db2.gz CMXKSMVHNGIIFQ-QGZVFWFLSA-N 2 1 290.455 2.161 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000336838008 365908760 /nfs/dbraw/zinc/90/87/60/365908760.db2.gz MKDWRTOFRPNSMF-LPWJVIDDSA-N 2 1 292.345 2.313 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000336838008 365908766 /nfs/dbraw/zinc/90/87/66/365908766.db2.gz MKDWRTOFRPNSMF-LPWJVIDDSA-N 2 1 292.345 2.313 20 0 CEADMP OC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000459583891 290186320 /nfs/dbraw/zinc/18/63/20/290186320.db2.gz GSEBXRCZFDLOFJ-OAHLLOKOSA-N 2 1 280.456 2.392 20 0 CEADMP CCOCC(C)(C)[NH2+]CCCCn1cc[nH+]c1C ZINC000339362463 215122532 /nfs/dbraw/zinc/12/25/32/215122532.db2.gz LWKUEJGQNXBXGW-UHFFFAOYSA-N 2 1 253.390 2.376 20 0 CEADMP CC(C)[C@@H](C[N@@H+]1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000339406524 215149054 /nfs/dbraw/zinc/14/90/54/215149054.db2.gz IZDFASBAIDDUPY-HZPDHXFCSA-N 2 1 262.397 2.086 20 0 CEADMP CC(C)[C@@H](C[N@H+]1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000339406524 215149056 /nfs/dbraw/zinc/14/90/56/215149056.db2.gz IZDFASBAIDDUPY-HZPDHXFCSA-N 2 1 262.397 2.086 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCc2ccc(C)nc2)C1 ZINC000339407952 215153458 /nfs/dbraw/zinc/15/34/58/215153458.db2.gz RTWIFSFPFKGIQT-INIZCTEOSA-N 2 1 261.413 2.254 20 0 CEADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1(C)C ZINC000459728890 290219177 /nfs/dbraw/zinc/21/91/77/290219177.db2.gz CSNZXCGVVGXFBN-KBUPBQIOSA-N 2 1 268.445 2.367 20 0 CEADMP C[NH+](C)CC(C)(C)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335906 349990687 /nfs/dbraw/zinc/99/06/87/349990687.db2.gz LHQOZDNHDQHFHZ-CYBMUJFWSA-N 2 1 255.450 2.037 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335906 349990688 /nfs/dbraw/zinc/99/06/88/349990688.db2.gz LHQOZDNHDQHFHZ-CYBMUJFWSA-N 3 1 255.450 2.037 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335906 349990689 /nfs/dbraw/zinc/99/06/89/349990689.db2.gz LHQOZDNHDQHFHZ-CYBMUJFWSA-N 3 1 255.450 2.037 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)CC1(C)C ZINC000623345002 349994260 /nfs/dbraw/zinc/99/42/60/349994260.db2.gz MOZAUTCFKQZGFF-AWEZNQCLSA-N 2 1 265.445 2.076 20 0 CEADMP Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C2 ZINC000623354278 349997021 /nfs/dbraw/zinc/99/70/21/349997021.db2.gz LQVDANYCKJFUHN-HUUCEWRRSA-N 2 1 288.439 2.105 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623358243 349997741 /nfs/dbraw/zinc/99/77/41/349997741.db2.gz VGPXJMTYSQHXCY-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623358243 349997743 /nfs/dbraw/zinc/99/77/43/349997743.db2.gz VGPXJMTYSQHXCY-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623358243 349997746 /nfs/dbraw/zinc/99/77/46/349997746.db2.gz VGPXJMTYSQHXCY-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCCCCC1 ZINC000617013643 348612944 /nfs/dbraw/zinc/61/29/44/348612944.db2.gz YEWWHVNOKCYOLD-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339065941 539660065 /nfs/dbraw/zinc/66/00/65/539660065.db2.gz FRKIXRIOMIMHIF-OWCLPIDISA-N 2 1 265.445 2.077 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339065941 539660073 /nfs/dbraw/zinc/66/00/73/539660073.db2.gz FRKIXRIOMIMHIF-OWCLPIDISA-N 2 1 265.445 2.077 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339065941 539660080 /nfs/dbraw/zinc/66/00/80/539660080.db2.gz FRKIXRIOMIMHIF-OWCLPIDISA-N 2 1 265.445 2.077 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339065941 539660084 /nfs/dbraw/zinc/66/00/84/539660084.db2.gz FRKIXRIOMIMHIF-OWCLPIDISA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)C ZINC000617753696 348780186 /nfs/dbraw/zinc/78/01/86/348780186.db2.gz IKCGBKKVWQQROE-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617928459 348828322 /nfs/dbraw/zinc/82/83/22/348828322.db2.gz QAHAXACACZRNKZ-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC1CC[NH+](CCNC(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000339266930 539682287 /nfs/dbraw/zinc/68/22/87/539682287.db2.gz ZKQUCJMFGXBWMG-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CCOC1CC(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)C1 ZINC000352014469 219291361 /nfs/dbraw/zinc/29/13/61/219291361.db2.gz NFDFCUUBSLGYNK-AQFXKWCLSA-N 2 1 298.471 2.234 20 0 CEADMP C[C@@H](CO)[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411403846 233244287 /nfs/dbraw/zinc/24/42/87/233244287.db2.gz VMYKXDYRSGXUDR-HNNXBMFYSA-N 2 1 276.424 2.485 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000620621587 349405488 /nfs/dbraw/zinc/40/54/88/349405488.db2.gz NXBGKZDIPQFCLZ-UHFFFAOYSA-N 2 1 288.395 2.185 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[nH]n1 ZINC000623453347 350025084 /nfs/dbraw/zinc/02/50/84/350025084.db2.gz KRPCROMJOJVVKF-WCQYABFASA-N 2 1 264.417 2.112 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)n[nH]1 ZINC000623453347 350025087 /nfs/dbraw/zinc/02/50/87/350025087.db2.gz KRPCROMJOJVVKF-WCQYABFASA-N 2 1 264.417 2.112 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)n[nH]1 ZINC000623453347 350025090 /nfs/dbraw/zinc/02/50/90/350025090.db2.gz KRPCROMJOJVVKF-WCQYABFASA-N 2 1 264.417 2.112 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)CC(C)(C)C)CC1(C)C ZINC000623468696 350027458 /nfs/dbraw/zinc/02/74/58/350027458.db2.gz CAUNGSMAZHEACI-STQMWFEESA-N 2 1 256.434 2.246 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(CO)cc2)CC1(C)C ZINC000623484440 350031333 /nfs/dbraw/zinc/03/13/33/350031333.db2.gz RPIIQGPTWPSBSS-INIZCTEOSA-N 2 1 276.424 2.184 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000623656978 350075636 /nfs/dbraw/zinc/07/56/36/350075636.db2.gz HCSBAUYRCYMHGJ-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP Cn1cnc2cc(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)ccc21 ZINC000623657576 350077479 /nfs/dbraw/zinc/07/74/79/350077479.db2.gz UTZBWZSXNMRPKA-OAHLLOKOSA-N 2 1 286.423 2.395 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)CC1(C)C ZINC000623507553 350037465 /nfs/dbraw/zinc/03/74/65/350037465.db2.gz QHQPDYWDMKDHPM-UONOGXRCSA-N 2 1 274.408 2.322 20 0 CEADMP COC1([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623550431 350047791 /nfs/dbraw/zinc/04/77/91/350047791.db2.gz OGBMDYIPVDJEGB-CHWSQXEVSA-N 2 1 254.418 2.406 20 0 CEADMP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCOCC1 ZINC000623553483 350049075 /nfs/dbraw/zinc/04/90/75/350049075.db2.gz XDVSZTCYARZYQH-KBPBESRZSA-N 2 1 284.444 2.033 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623558783 350050053 /nfs/dbraw/zinc/05/00/53/350050053.db2.gz IXGVLMVSAUJWDF-HNNXBMFYSA-N 2 1 269.477 2.427 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623558783 350050055 /nfs/dbraw/zinc/05/00/55/350050055.db2.gz IXGVLMVSAUJWDF-HNNXBMFYSA-N 2 1 269.477 2.427 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623558783 350050057 /nfs/dbraw/zinc/05/00/57/350050057.db2.gz IXGVLMVSAUJWDF-HNNXBMFYSA-N 2 1 269.477 2.427 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623558783 350050059 /nfs/dbraw/zinc/05/00/59/350050059.db2.gz IXGVLMVSAUJWDF-HNNXBMFYSA-N 3 1 269.477 2.427 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623558783 350050061 /nfs/dbraw/zinc/05/00/61/350050061.db2.gz IXGVLMVSAUJWDF-HNNXBMFYSA-N 3 1 269.477 2.427 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623558783 350050062 /nfs/dbraw/zinc/05/00/62/350050062.db2.gz IXGVLMVSAUJWDF-HNNXBMFYSA-N 3 1 269.477 2.427 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623558783 350050065 /nfs/dbraw/zinc/05/00/65/350050065.db2.gz IXGVLMVSAUJWDF-HNNXBMFYSA-N 3 1 269.477 2.427 20 0 CEADMP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623562887 350051572 /nfs/dbraw/zinc/05/15/72/350051572.db2.gz GWMYXWDYWGGWLR-JONQDZQNSA-N 2 1 298.471 2.015 20 0 CEADMP COc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1Cl ZINC000623576477 350056223 /nfs/dbraw/zinc/05/62/23/350056223.db2.gz ZOBWAYHUKUCNJI-UHFFFAOYSA-N 2 1 279.771 2.414 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCOC2)CC1(C)C ZINC000623590999 350060148 /nfs/dbraw/zinc/06/01/48/350060148.db2.gz SEZFKSUDXHEKOK-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000623602429 350062167 /nfs/dbraw/zinc/06/21/67/350062167.db2.gz POZFDZNXLLGULD-SQNIBIBYSA-N 2 1 286.419 2.344 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000090720265 180030341 /nfs/dbraw/zinc/03/03/41/180030341.db2.gz LBYYFSGYRJSQML-DGCLKSJQSA-N 2 1 266.360 2.407 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000090720265 180030344 /nfs/dbraw/zinc/03/03/44/180030344.db2.gz LBYYFSGYRJSQML-DGCLKSJQSA-N 2 1 266.360 2.407 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000090962136 180076170 /nfs/dbraw/zinc/07/61/70/180076170.db2.gz SVODXMVNTIMIAC-AWEZNQCLSA-N 2 1 287.407 2.219 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623886669 350134925 /nfs/dbraw/zinc/13/49/25/350134925.db2.gz IFNUMEGMRMCMCA-IPYPFGDCSA-N 2 1 265.401 2.375 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCCCO1 ZINC000623889827 350135434 /nfs/dbraw/zinc/13/54/34/350135434.db2.gz XKZSGEAFCJWRIC-CVEARBPZSA-N 2 1 296.455 2.179 20 0 CEADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(C)ccc1C ZINC000623960868 350156007 /nfs/dbraw/zinc/15/60/07/350156007.db2.gz KDBSSSLPOMIRIN-SJORKVTESA-N 2 1 276.424 2.411 20 0 CEADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(C)ccc1C ZINC000623960868 350156010 /nfs/dbraw/zinc/15/60/10/350156010.db2.gz KDBSSSLPOMIRIN-SJORKVTESA-N 2 1 276.424 2.411 20 0 CEADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(C)ccc1C ZINC000623960865 350156272 /nfs/dbraw/zinc/15/62/72/350156272.db2.gz KDBSSSLPOMIRIN-DLBZAZTESA-N 2 1 276.424 2.411 20 0 CEADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(C)ccc1C ZINC000623960865 350156276 /nfs/dbraw/zinc/15/62/76/350156276.db2.gz KDBSSSLPOMIRIN-DLBZAZTESA-N 2 1 276.424 2.411 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CCCCO1 ZINC000623971287 350158190 /nfs/dbraw/zinc/15/81/90/350158190.db2.gz PVSNNYURXZJGQM-OAGGEKHMSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CCCCO1 ZINC000623971287 350158192 /nfs/dbraw/zinc/15/81/92/350158192.db2.gz PVSNNYURXZJGQM-OAGGEKHMSA-N 2 1 284.444 2.035 20 0 CEADMP CCC[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)OCC ZINC000624051191 350179647 /nfs/dbraw/zinc/17/96/47/350179647.db2.gz VGJCNFSKJVLWKH-SJORKVTESA-N 2 1 298.471 2.425 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)[C@H](C)C1 ZINC000624054619 350180225 /nfs/dbraw/zinc/18/02/25/350180225.db2.gz IYZOZWVABGZOSO-JLSDUUJJSA-N 2 1 288.435 2.448 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000104832574 186027246 /nfs/dbraw/zinc/02/72/46/186027246.db2.gz YWRULEWCOBDCES-AWEZNQCLSA-N 2 1 295.471 2.286 20 0 CEADMP CC(C)CC[C@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000624110601 350196897 /nfs/dbraw/zinc/19/68/97/350196897.db2.gz BHORMTCDBSWOKU-SJORKVTESA-N 2 1 298.471 2.017 20 0 CEADMP C[N@H+]1CC[C@@H](NC[C@H]2CCCC[NH+](C)C2)[C@@H]2CCC[C@@H]21 ZINC000624124191 350201492 /nfs/dbraw/zinc/20/14/92/350201492.db2.gz ZSMDJPDIIBNAAG-TWMKSMIVSA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@H]2CCCC[N@H+](C)C2)[C@@H]2CCC[C@@H]21 ZINC000624124191 350201496 /nfs/dbraw/zinc/20/14/96/350201496.db2.gz ZSMDJPDIIBNAAG-TWMKSMIVSA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@H]2CCCC[N@@H+](C)C2)[C@@H]2CCC[C@@H]21 ZINC000624124191 350201498 /nfs/dbraw/zinc/20/14/98/350201498.db2.gz ZSMDJPDIIBNAAG-TWMKSMIVSA-N 2 1 279.472 2.181 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)[C@@H]2CCC[C@@H]21 ZINC000624124191 350201500 /nfs/dbraw/zinc/20/15/00/350201500.db2.gz ZSMDJPDIIBNAAG-TWMKSMIVSA-N 3 1 279.472 2.181 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)[C@@H]2CCC[C@@H]21 ZINC000624124191 350201501 /nfs/dbraw/zinc/20/15/01/350201501.db2.gz ZSMDJPDIIBNAAG-TWMKSMIVSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)[C@@H]2CCC[C@@H]21 ZINC000624124191 350201503 /nfs/dbraw/zinc/20/15/03/350201503.db2.gz ZSMDJPDIIBNAAG-TWMKSMIVSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@@H]2CCC[C@@H]21 ZINC000624124191 350201506 /nfs/dbraw/zinc/20/15/06/350201506.db2.gz ZSMDJPDIIBNAAG-TWMKSMIVSA-N 3 1 279.472 2.181 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412097156 233340313 /nfs/dbraw/zinc/34/03/13/233340313.db2.gz UWSPARUXYSSFSA-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412097156 233340315 /nfs/dbraw/zinc/34/03/15/233340315.db2.gz UWSPARUXYSSFSA-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000091666371 180222053 /nfs/dbraw/zinc/22/20/53/180222053.db2.gz KQKHNNNLTAXXRO-QKPAOTATSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000091666371 180222055 /nfs/dbraw/zinc/22/20/55/180222055.db2.gz KQKHNNNLTAXXRO-QKPAOTATSA-N 2 1 266.429 2.266 20 0 CEADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CCCC12CC2 ZINC000624316616 350259425 /nfs/dbraw/zinc/25/94/25/350259425.db2.gz RXTQSMJTRTZSMM-GDBMZVCRSA-N 2 1 278.440 2.410 20 0 CEADMP C[N@@H+](Cc1nc(-c2cccs2)no1)C1CCC([NH3+])CC1 ZINC000091846973 180270360 /nfs/dbraw/zinc/27/03/60/180270360.db2.gz TUMNLJSTWBVLKC-UHFFFAOYSA-N 2 1 292.408 2.500 20 0 CEADMP C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)C1CCC([NH3+])CC1 ZINC000091847247 180271325 /nfs/dbraw/zinc/27/13/25/180271325.db2.gz QHPAKRRKMRVNBC-UHFFFAOYSA-N 2 1 297.349 2.105 20 0 CEADMP C[N@@H+](CC(=O)Nc1cccc(Cl)c1)C1CCC([NH3+])CC1 ZINC000091847266 180271391 /nfs/dbraw/zinc/27/13/91/180271391.db2.gz MJODAMDWBQXRCV-UHFFFAOYSA-N 2 1 295.814 2.480 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC000235697102 539788529 /nfs/dbraw/zinc/78/85/29/539788529.db2.gz WGASANSUOXVPJN-UONOGXRCSA-N 2 1 260.381 2.269 20 0 CEADMP OCC[C@H]1CCCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000342068678 539794676 /nfs/dbraw/zinc/79/46/76/539794676.db2.gz UDUWUCANLJDBQI-MRXNPFEDSA-N 2 1 268.445 2.489 20 0 CEADMP CCCc1cc(NCC[N@H+]2CC[C@@H](O)C2)c2ccccc2[nH+]1 ZINC000624677910 350338215 /nfs/dbraw/zinc/33/82/15/350338215.db2.gz ANUBGZATUUPMHR-OAHLLOKOSA-N 2 1 299.418 2.088 20 0 CEADMP OCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000251423273 539795420 /nfs/dbraw/zinc/79/54/20/539795420.db2.gz SNYOJJQYHNDVDG-GJZGRUSLSA-N 2 1 266.429 2.146 20 0 CEADMP C[N@H+](Cc1ccc(-n2cncn2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253854 180352693 /nfs/dbraw/zinc/35/26/93/180352693.db2.gz JHZLVCZLMXDZII-MRXNPFEDSA-N 2 1 299.422 2.041 20 0 CEADMP C[NH+](Cc1ccc(-n2cncn2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253854 180352694 /nfs/dbraw/zinc/35/26/94/180352694.db2.gz JHZLVCZLMXDZII-MRXNPFEDSA-N 2 1 299.422 2.041 20 0 CEADMP C[NH+](Cc1ccc(-n2cncn2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253854 180352696 /nfs/dbraw/zinc/35/26/96/180352696.db2.gz JHZLVCZLMXDZII-MRXNPFEDSA-N 2 1 299.422 2.041 20 0 CEADMP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1(CO)CCC1 ZINC000339736500 215319710 /nfs/dbraw/zinc/31/97/10/215319710.db2.gz FDPFMFTYAFHVEZ-GJZGRUSLSA-N 2 1 268.445 2.248 20 0 CEADMP c1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)OCCO2 ZINC000106868684 186143985 /nfs/dbraw/zinc/14/39/85/186143985.db2.gz JQWJACTXHFADFL-HUUCEWRRSA-N 2 1 288.391 2.174 20 0 CEADMP c1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)OCCO2 ZINC000106868684 186143987 /nfs/dbraw/zinc/14/39/87/186143987.db2.gz JQWJACTXHFADFL-HUUCEWRRSA-N 2 1 288.391 2.174 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000130544519 365965967 /nfs/dbraw/zinc/96/59/67/365965967.db2.gz LKMPAKZYKRJEOX-IMJJTQAJSA-N 2 1 260.381 2.254 20 0 CEADMP CCc1nc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cs1 ZINC000110649198 186309929 /nfs/dbraw/zinc/30/99/29/186309929.db2.gz QLFYECSUCGZCEV-SNVBAGLBSA-N 2 1 253.415 2.265 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCCC(=O)OCC)CC1 ZINC000109787336 186272762 /nfs/dbraw/zinc/27/27/62/186272762.db2.gz MPPCVDUGCPKARB-UHFFFAOYSA-N 2 1 270.417 2.136 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnccc1C ZINC000271401501 191117576 /nfs/dbraw/zinc/11/75/76/191117576.db2.gz LOWSXPIJESBARS-AWEZNQCLSA-N 2 1 265.401 2.009 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3n[nH]cc32)C1 ZINC000628186714 350997211 /nfs/dbraw/zinc/99/72/11/350997211.db2.gz UFZVVRFMDKLVPQ-ZDUSSCGKSA-N 2 1 272.396 2.337 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3n[nH]cc32)C1 ZINC000628186714 350997213 /nfs/dbraw/zinc/99/72/13/350997213.db2.gz UFZVVRFMDKLVPQ-ZDUSSCGKSA-N 2 1 272.396 2.337 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3n[nH]cc32)C1 ZINC000628186714 350997214 /nfs/dbraw/zinc/99/72/14/350997214.db2.gz UFZVVRFMDKLVPQ-ZDUSSCGKSA-N 2 1 272.396 2.337 20 0 CEADMP FC(F)(F)c1cccc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000628191183 350999478 /nfs/dbraw/zinc/99/94/78/350999478.db2.gz CJNSQKOHWIWEJW-BETUJISGSA-N 2 1 284.325 2.399 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@]2(C)CCCS2)CCCO1 ZINC000628253175 351028843 /nfs/dbraw/zinc/02/88/43/351028843.db2.gz WZLVUMVFORXAAO-HUUCEWRRSA-N 2 1 286.485 2.363 20 0 CEADMP Cc1nc(C)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)o1 ZINC000628281068 351039557 /nfs/dbraw/zinc/03/95/57/351039557.db2.gz YMOIEOBYUVBVHH-UONOGXRCSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)o1 ZINC000628281068 351039559 /nfs/dbraw/zinc/03/95/59/351039559.db2.gz YMOIEOBYUVBVHH-UONOGXRCSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)o1 ZINC000628281068 351039562 /nfs/dbraw/zinc/03/95/62/351039562.db2.gz YMOIEOBYUVBVHH-UONOGXRCSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)o1 ZINC000628281068 351039564 /nfs/dbraw/zinc/03/95/64/351039564.db2.gz YMOIEOBYUVBVHH-UONOGXRCSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[NH2+]CCCC[N@H+](C)C2CC2)o1 ZINC000628304733 351053251 /nfs/dbraw/zinc/05/32/51/351053251.db2.gz OMXGBNZVOJHRFI-UHFFFAOYSA-N 2 1 251.374 2.255 20 0 CEADMP C[C@@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000628756844 351184707 /nfs/dbraw/zinc/18/47/07/351184707.db2.gz VTOUZKRFSTYOJX-XUWVNRHRSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000628756844 351184712 /nfs/dbraw/zinc/18/47/12/351184712.db2.gz VTOUZKRFSTYOJX-XUWVNRHRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC[C@@H]2O)[C@@H](C)C1 ZINC000569066870 299176333 /nfs/dbraw/zinc/17/63/33/299176333.db2.gz ZHKZVJPVSLPYLU-VGWMRTNUSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC[C@@H]2O)[C@@H](C)C1 ZINC000569066870 299176335 /nfs/dbraw/zinc/17/63/35/299176335.db2.gz ZHKZVJPVSLPYLU-VGWMRTNUSA-N 2 1 268.445 2.200 20 0 CEADMP COc1cccc(C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C2CC2)c1 ZINC000629545658 351406057 /nfs/dbraw/zinc/40/60/57/351406057.db2.gz PXLKMFRGEIBPGX-VUCTXSBTSA-N 2 1 274.408 2.356 20 0 CEADMP CC1(C)CCC(C)(C)[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000629548252 351406916 /nfs/dbraw/zinc/40/69/16/351406916.db2.gz YGMBZHSEJIWKOI-ZDUSSCGKSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1cncc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000629533304 351396252 /nfs/dbraw/zinc/39/62/52/351396252.db2.gz TUPWVPKQEATVDB-HZPDHXFCSA-N 2 1 259.397 2.212 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000629387933 351345840 /nfs/dbraw/zinc/34/58/40/351345840.db2.gz KFIXDVRHSYMBPG-LEUOFYLZSA-N 2 1 287.451 2.380 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000629387839 351346421 /nfs/dbraw/zinc/34/64/21/351346421.db2.gz GGOFZFTWNDGWHR-BZZMCLGOSA-N 2 1 287.451 2.237 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000629390474 351348385 /nfs/dbraw/zinc/34/83/85/351348385.db2.gz HLTJCENYSQERIM-AEGPPILISA-N 2 1 290.407 2.467 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074116 363027746 /nfs/dbraw/zinc/02/77/46/363027746.db2.gz XJDWUXUAMBUVMZ-ZIAGYGMSSA-N 2 1 275.396 2.074 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCCC(C)(C)C1 ZINC000629653143 351450547 /nfs/dbraw/zinc/45/05/47/351450547.db2.gz FXXZEQJQYOUOKS-CQSZACIVSA-N 2 1 256.434 2.371 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1coc2ccccc12 ZINC000629654850 351452308 /nfs/dbraw/zinc/45/23/08/351452308.db2.gz SNAIXLAEWZAIMM-UHFFFAOYSA-N 2 1 262.353 2.101 20 0 CEADMP CCCCOCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560867 351414792 /nfs/dbraw/zinc/41/47/92/351414792.db2.gz GLWQZSZXBBCWGD-NEPJUHHUSA-N 2 1 282.350 2.262 20 0 CEADMP CCCCOCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560867 351414795 /nfs/dbraw/zinc/41/47/95/351414795.db2.gz GLWQZSZXBBCWGD-NEPJUHHUSA-N 2 1 282.350 2.262 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000629564057 351416197 /nfs/dbraw/zinc/41/61/97/351416197.db2.gz REAKQBGMRHKOEO-YNEHKIRRSA-N 2 1 294.361 2.261 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000629566821 351417867 /nfs/dbraw/zinc/41/78/67/351417867.db2.gz ILMQHZGKKIZIJR-UHFFFAOYSA-N 2 1 256.777 2.008 20 0 CEADMP Cc1cc(OCC[N@@H+](C)CCOCC[NH3+])ccc1C(C)C ZINC000629573916 351419042 /nfs/dbraw/zinc/41/90/42/351419042.db2.gz DONSIBVDLQTRKI-UHFFFAOYSA-N 2 1 294.439 2.404 20 0 CEADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CCOCC[NH3+] ZINC000629578154 351420931 /nfs/dbraw/zinc/42/09/31/351420931.db2.gz HCNDLAOJRRANSW-JTQLQIEISA-N 2 1 274.767 2.447 20 0 CEADMP CCCNc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629581610 351421923 /nfs/dbraw/zinc/42/19/23/351421923.db2.gz DOCUHHRNCDFWIS-KRWDZBQOSA-N 2 1 291.439 2.055 20 0 CEADMP CC(C)C[N@@H+](CCOCC[NH3+])CCc1ccc(F)cc1 ZINC000629582620 351422966 /nfs/dbraw/zinc/42/29/66/351422966.db2.gz VQLFFSXXLZEVMT-UHFFFAOYSA-N 2 1 282.403 2.302 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000070149671 363037476 /nfs/dbraw/zinc/03/74/76/363037476.db2.gz JCEYQIGMCZSROT-OAHLLOKOSA-N 2 1 276.380 2.177 20 0 CEADMP Cn1nccc1-c1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000629696877 351476703 /nfs/dbraw/zinc/47/67/03/351476703.db2.gz LNVLCIMUSGNREN-HNNXBMFYSA-N 2 1 270.380 2.010 20 0 CEADMP Cn1nccc1-c1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000629696877 351476708 /nfs/dbraw/zinc/47/67/08/351476708.db2.gz LNVLCIMUSGNREN-HNNXBMFYSA-N 2 1 270.380 2.010 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000070173953 363047090 /nfs/dbraw/zinc/04/70/90/363047090.db2.gz LDYLTZBNVXENQG-QWHCGFSZSA-N 2 1 293.386 2.214 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC000629954998 351553209 /nfs/dbraw/zinc/55/32/09/351553209.db2.gz XFLNEJIAHGZPOF-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC000629954998 351553213 /nfs/dbraw/zinc/55/32/13/351553213.db2.gz XFLNEJIAHGZPOF-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC000629954998 351553216 /nfs/dbraw/zinc/55/32/16/351553216.db2.gz XFLNEJIAHGZPOF-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP COc1cncc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1C ZINC000631035111 351931030 /nfs/dbraw/zinc/93/10/30/351931030.db2.gz ALBXJTDMAWZBSH-UHFFFAOYSA-N 2 1 277.412 2.361 20 0 CEADMP COc1cncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000631044899 351935438 /nfs/dbraw/zinc/93/54/38/351935438.db2.gz QEWQFMGLQRBSPM-GJZGRUSLSA-N 2 1 275.396 2.115 20 0 CEADMP COc1cncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000631044899 351935441 /nfs/dbraw/zinc/93/54/41/351935441.db2.gz QEWQFMGLQRBSPM-GJZGRUSLSA-N 2 1 275.396 2.115 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCOC1 ZINC000631196767 352011465 /nfs/dbraw/zinc/01/14/65/352011465.db2.gz VBKZDQAPKJLHTF-PVAVHDDUSA-N 2 1 274.408 2.133 20 0 CEADMP Cc1scc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1C ZINC000631180857 352003678 /nfs/dbraw/zinc/00/36/78/352003678.db2.gz WGSFCIHCKKAKMZ-UHFFFAOYSA-N 2 1 295.496 2.434 20 0 CEADMP Cn1nc2c(c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1)CCCC2 ZINC000631180696 352003792 /nfs/dbraw/zinc/00/37/92/352003792.db2.gz IFBKAVKPFPEVRY-CQSZACIVSA-N 2 1 290.455 2.120 20 0 CEADMP Cn1nc2c(c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)CCCC2 ZINC000631180696 352003797 /nfs/dbraw/zinc/00/37/97/352003797.db2.gz IFBKAVKPFPEVRY-CQSZACIVSA-N 2 1 290.455 2.120 20 0 CEADMP Cc1cc(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)nc(C2CC2)n1 ZINC000631326052 352071275 /nfs/dbraw/zinc/07/12/75/352071275.db2.gz LZARXQQDQCGIFK-KGLIPLIRSA-N 2 1 272.396 2.050 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H](O)C(F)(F)F ZINC000631232783 352029007 /nfs/dbraw/zinc/02/90/07/352029007.db2.gz VOJDNQDITRKOFR-VOAKCMCISA-N 2 1 294.361 2.151 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](O)C(F)(F)F ZINC000631232783 352029009 /nfs/dbraw/zinc/02/90/09/352029009.db2.gz VOJDNQDITRKOFR-VOAKCMCISA-N 2 1 294.361 2.151 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@H]2CC2(C)C)CC1 ZINC000486963595 290324405 /nfs/dbraw/zinc/32/44/05/290324405.db2.gz FXTNJOOFAKRSKX-HZPDHXFCSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000252185569 539851040 /nfs/dbraw/zinc/85/10/40/539851040.db2.gz UFZVFWCSEUYTIZ-XLWJZTARSA-N 2 1 252.402 2.159 20 0 CEADMP Cc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(=O)n1C ZINC000494453470 290974058 /nfs/dbraw/zinc/97/40/58/290974058.db2.gz QENKKJPGPKFPJJ-UHFFFAOYSA-N 2 1 291.439 2.046 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)CC[C@H]1[NH3+] ZINC000251712659 539989479 /nfs/dbraw/zinc/98/94/79/539989479.db2.gz JPVGLGYNMWAHPZ-UONOGXRCSA-N 2 1 276.380 2.017 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)CC[C@H]1[NH3+] ZINC000251712659 539989482 /nfs/dbraw/zinc/98/94/82/539989482.db2.gz JPVGLGYNMWAHPZ-UONOGXRCSA-N 2 1 276.380 2.017 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)CC[C@H]1[NH3+] ZINC000251762917 539991094 /nfs/dbraw/zinc/99/10/94/539991094.db2.gz LZGPTWFAGSFVNT-DOTOQJQBSA-N 2 1 284.407 2.432 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000252649313 540006595 /nfs/dbraw/zinc/00/65/95/540006595.db2.gz WSMPQRNVVQTZTB-UONOGXRCSA-N 2 1 275.396 2.060 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000451479346 283002904 /nfs/dbraw/zinc/00/29/04/283002904.db2.gz MQDHLGRDYHCYSL-BARDWOONSA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2CCOC)C1 ZINC000337404351 366147707 /nfs/dbraw/zinc/14/77/07/366147707.db2.gz RKZZWBITRCAAEP-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCC23CCC3)CCCO1 ZINC000337398143 366146696 /nfs/dbraw/zinc/14/66/96/366146696.db2.gz CHUDIEITNCFSCF-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCC23CCC3)CCCO1 ZINC000337398143 366146698 /nfs/dbraw/zinc/14/66/98/366146698.db2.gz CHUDIEITNCFSCF-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CCc2sccc2C1 ZINC000132862622 366176042 /nfs/dbraw/zinc/17/60/42/366176042.db2.gz SCZZZTPXUOZPKG-HIFRSBDPSA-N 2 1 293.480 2.036 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000132906142 366180727 /nfs/dbraw/zinc/18/07/27/366180727.db2.gz JDLUNNBBTVSCDO-JQHSSLGASA-N 2 1 289.467 2.089 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](Cc1ccccc1)N(C)C ZINC000132906142 366180731 /nfs/dbraw/zinc/18/07/31/366180731.db2.gz JDLUNNBBTVSCDO-JQHSSLGASA-N 2 1 289.467 2.089 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](Cc1ccccc1)N(C)C ZINC000132906142 366180738 /nfs/dbraw/zinc/18/07/38/366180738.db2.gz JDLUNNBBTVSCDO-JQHSSLGASA-N 2 1 289.467 2.089 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccccc3OC2)CC[N@@H+]1C ZINC000338010614 366190858 /nfs/dbraw/zinc/19/08/58/366190858.db2.gz ZLQNSNUOGRTMBV-BMFZPTHFSA-N 2 1 274.408 2.453 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccccc3OC2)CC[N@H+]1C ZINC000338010614 366190866 /nfs/dbraw/zinc/19/08/66/366190866.db2.gz ZLQNSNUOGRTMBV-BMFZPTHFSA-N 2 1 274.408 2.453 20 0 CEADMP CCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271765056 191312842 /nfs/dbraw/zinc/31/28/42/191312842.db2.gz ADIMRLUFTCYPKX-UHFFFAOYSA-N 2 1 260.381 2.437 20 0 CEADMP CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000075022946 363434655 /nfs/dbraw/zinc/43/46/55/363434655.db2.gz UGQZPRBMMJPJJT-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)C(C)C)CC1 ZINC000340292281 215528011 /nfs/dbraw/zinc/52/80/11/215528011.db2.gz SYHDEUYEMKREAH-INIZCTEOSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451700463 283077834 /nfs/dbraw/zinc/07/78/34/283077834.db2.gz NUJNIDPQXLDBSZ-OAGGEKHMSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451700463 283077836 /nfs/dbraw/zinc/07/78/36/283077836.db2.gz NUJNIDPQXLDBSZ-OAGGEKHMSA-N 2 1 268.445 2.201 20 0 CEADMP CNC(=O)OC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000495638984 291058417 /nfs/dbraw/zinc/05/84/17/291058417.db2.gz IHZRZOSQTSRLSI-OAHLLOKOSA-N 2 1 297.443 2.073 20 0 CEADMP CNC(=O)OC[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000495638984 291058418 /nfs/dbraw/zinc/05/84/18/291058418.db2.gz IHZRZOSQTSRLSI-OAHLLOKOSA-N 2 1 297.443 2.073 20 0 CEADMP COc1ccnc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1OC ZINC000404380114 540121226 /nfs/dbraw/zinc/12/12/26/540121226.db2.gz MDYUKYQLUJZPQX-JSGCOSHPSA-N 2 1 293.411 2.048 20 0 CEADMP COc1ccnc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1OC ZINC000404380114 540121228 /nfs/dbraw/zinc/12/12/28/540121228.db2.gz MDYUKYQLUJZPQX-JSGCOSHPSA-N 2 1 293.411 2.048 20 0 CEADMP CC[C@@H]1C[N@@H+](CC)CCN1CCC[NH+](CC)CC ZINC000451741242 283089232 /nfs/dbraw/zinc/08/92/32/283089232.db2.gz NPFHLFLWIBIIQK-OAHLLOKOSA-N 2 1 255.450 2.134 20 0 CEADMP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nc1 ZINC000271853067 191367877 /nfs/dbraw/zinc/36/78/77/191367877.db2.gz WSAVEJOWZZOZPP-UHFFFAOYSA-N 2 1 272.352 2.193 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000271861658 191373088 /nfs/dbraw/zinc/37/30/88/191373088.db2.gz YWLGNYCOJMPKKC-AWEZNQCLSA-N 2 1 273.384 2.056 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@](C)(CO)c1ccccc1 ZINC000683140593 540175516 /nfs/dbraw/zinc/17/55/16/540175516.db2.gz BEXTUSIBSSYDGU-INIZCTEOSA-N 2 1 264.413 2.216 20 0 CEADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCc2ccccc2)CC1 ZINC000038122293 540186353 /nfs/dbraw/zinc/18/63/53/540186353.db2.gz VBFWJKVZQGSGFA-UHFFFAOYSA-N 2 1 290.451 2.302 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@H]2CCC[C@@H]21 ZINC000367596973 283134978 /nfs/dbraw/zinc/13/49/78/283134978.db2.gz KVNUZCZVEGPPAJ-SQNIBIBYSA-N 3 1 291.483 2.323 20 0 CEADMP CN1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@H]2CCC[C@@H]21 ZINC000367596973 283134981 /nfs/dbraw/zinc/13/49/81/283134981.db2.gz KVNUZCZVEGPPAJ-SQNIBIBYSA-N 2 1 291.483 2.323 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451894202 283136899 /nfs/dbraw/zinc/13/68/99/283136899.db2.gz CQSNUOLKPHOFAP-HNNXBMFYSA-N 2 1 263.385 2.084 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451894202 283136901 /nfs/dbraw/zinc/13/69/01/283136901.db2.gz CQSNUOLKPHOFAP-HNNXBMFYSA-N 2 1 263.385 2.084 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451906239 283139561 /nfs/dbraw/zinc/13/95/61/283139561.db2.gz LCYCOISYUPPUAF-XQQFMLRXSA-N 2 1 294.361 2.106 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451906239 283139564 /nfs/dbraw/zinc/13/95/64/283139564.db2.gz LCYCOISYUPPUAF-XQQFMLRXSA-N 2 1 294.361 2.106 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451906239 283139568 /nfs/dbraw/zinc/13/95/68/283139568.db2.gz LCYCOISYUPPUAF-XQQFMLRXSA-N 2 1 294.361 2.106 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451906239 283139572 /nfs/dbraw/zinc/13/95/72/283139572.db2.gz LCYCOISYUPPUAF-XQQFMLRXSA-N 2 1 294.361 2.106 20 0 CEADMP C1CC[NH+](C2CC[NH+]([C@@H]3CCCOC3)CC2)CC1 ZINC000674286402 540227117 /nfs/dbraw/zinc/22/71/17/540227117.db2.gz WRXDDVZFWAREEV-OAHLLOKOSA-N 2 1 252.402 2.116 20 0 CEADMP COc1cccc(C[C@@H]2CCC[N@@H+]2CC(C)(C)[NH3+])c1 ZINC000577373243 314369081 /nfs/dbraw/zinc/36/90/81/314369081.db2.gz NAYOYYAUNXDRNA-AWEZNQCLSA-N 2 1 262.397 2.439 20 0 CEADMP COc1cccc(C[C@@H]2CCC[N@H+]2CC(C)(C)[NH3+])c1 ZINC000577373243 314369082 /nfs/dbraw/zinc/36/90/82/314369082.db2.gz NAYOYYAUNXDRNA-AWEZNQCLSA-N 2 1 262.397 2.439 20 0 CEADMP CCn1nc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000414925748 540247621 /nfs/dbraw/zinc/24/76/21/540247621.db2.gz MAIYMWJAXOAAPR-QWHCGFSZSA-N 2 1 272.396 2.416 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000338297663 366281318 /nfs/dbraw/zinc/28/13/18/366281318.db2.gz AXLDUUAAMCYZCA-CABCVRRESA-N 2 1 256.434 2.201 20 0 CEADMP C[N@@H+](CCO)C1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000338303243 366284288 /nfs/dbraw/zinc/28/42/88/366284288.db2.gz DLPMYCHCMAUHBL-ZDUSSCGKSA-N 2 1 290.398 2.200 20 0 CEADMP c1nc2cnccn2c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000134198165 366296746 /nfs/dbraw/zinc/29/67/46/366296746.db2.gz VUWWXMSGXDYAFO-UHFFFAOYSA-N 2 1 299.422 2.037 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000356896853 283209075 /nfs/dbraw/zinc/20/90/75/283209075.db2.gz ZEQBPDAISONACX-CVEARBPZSA-N 2 1 297.487 2.440 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)CCO1 ZINC000575907371 366372184 /nfs/dbraw/zinc/37/21/84/366372184.db2.gz CSJXOIIXJDTMAY-FPCVCCKLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)CCO1 ZINC000575907371 366372189 /nfs/dbraw/zinc/37/21/89/366372189.db2.gz CSJXOIIXJDTMAY-FPCVCCKLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)CCO1 ZINC000575907371 366372193 /nfs/dbraw/zinc/37/21/93/366372193.db2.gz CSJXOIIXJDTMAY-FPCVCCKLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)CCO1 ZINC000575907371 366372196 /nfs/dbraw/zinc/37/21/96/366372196.db2.gz CSJXOIIXJDTMAY-FPCVCCKLSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cn[nH]c1 ZINC000340516432 215615798 /nfs/dbraw/zinc/61/57/98/215615798.db2.gz IFJJWNNFSUCNHK-QWHCGFSZSA-N 2 1 250.390 2.325 20 0 CEADMP CCCN(CC[NH+]1CCCCC1)C(=O)C[N@@H+](C)C(C)C ZINC000342800797 283245046 /nfs/dbraw/zinc/24/50/46/283245046.db2.gz ZEVYWSQQMSNOJS-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000570507835 299260445 /nfs/dbraw/zinc/26/04/45/299260445.db2.gz DOZIFTHNJBFETQ-JQWIXIFHSA-N 2 1 264.398 2.003 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000577705157 366383969 /nfs/dbraw/zinc/38/39/69/366383969.db2.gz JZQCBUVEXWIXGG-OAHLLOKOSA-N 3 1 279.472 2.182 20 0 CEADMP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000577705157 366383973 /nfs/dbraw/zinc/38/39/73/366383973.db2.gz JZQCBUVEXWIXGG-OAHLLOKOSA-N 2 1 279.472 2.182 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000577705157 366383978 /nfs/dbraw/zinc/38/39/78/366383978.db2.gz JZQCBUVEXWIXGG-OAHLLOKOSA-N 2 1 279.472 2.182 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000570630417 299268520 /nfs/dbraw/zinc/26/85/20/299268520.db2.gz ICKSMUGKVHCGRJ-KZNAEPCWSA-N 2 1 290.451 2.300 20 0 CEADMP Cc1cc(NCC(C)(C)C[NH+]2CCCC2)nc(C)[nH+]1 ZINC000357959658 540370681 /nfs/dbraw/zinc/37/06/81/540370681.db2.gz LHJTXWQFKNSNCR-UHFFFAOYSA-N 2 1 262.401 2.049 20 0 CEADMP OC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000135181400 366405580 /nfs/dbraw/zinc/40/55/80/366405580.db2.gz UYVNDBANFMPMTP-UHFFFAOYSA-N 2 1 274.408 2.156 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000294901987 199239546 /nfs/dbraw/zinc/23/95/46/199239546.db2.gz RQDJKKSVKMKBJT-XBVQOTNRSA-N 2 1 274.408 2.152 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000294901987 199239548 /nfs/dbraw/zinc/23/95/48/199239548.db2.gz RQDJKKSVKMKBJT-XBVQOTNRSA-N 2 1 274.408 2.152 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000135881113 366480055 /nfs/dbraw/zinc/48/00/55/366480055.db2.gz JJINGBUPBBEKEF-MNOVXSKESA-N 2 1 261.394 2.465 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000135881113 366480062 /nfs/dbraw/zinc/48/00/62/366480062.db2.gz JJINGBUPBBEKEF-MNOVXSKESA-N 2 1 261.394 2.465 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC2([NH3+])CCC2)C1 ZINC000168644087 540430582 /nfs/dbraw/zinc/43/05/82/540430582.db2.gz FXNOIKXLFUDYFR-AWEZNQCLSA-N 2 1 295.471 2.275 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000310934880 540449530 /nfs/dbraw/zinc/44/95/30/540449530.db2.gz FTVZWRDENBQQBD-ZFWWWQNUSA-N 2 1 250.386 2.038 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000310934880 540449534 /nfs/dbraw/zinc/44/95/34/540449534.db2.gz FTVZWRDENBQQBD-ZFWWWQNUSA-N 2 1 250.386 2.038 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC000311049883 540453874 /nfs/dbraw/zinc/45/38/74/540453874.db2.gz QMVZPJGURGQFDK-HUUCEWRRSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000311049883 540453878 /nfs/dbraw/zinc/45/38/78/540453878.db2.gz QMVZPJGURGQFDK-HUUCEWRRSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000311049883 540453880 /nfs/dbraw/zinc/45/38/80/540453880.db2.gz QMVZPJGURGQFDK-HUUCEWRRSA-N 2 1 256.434 2.200 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC000666853264 540509605 /nfs/dbraw/zinc/50/96/05/540509605.db2.gz WRVJOHAPIQHQGE-QWRGUYRKSA-N 2 1 265.426 2.381 20 0 CEADMP FC(F)(F)c1cccnc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856416 540509956 /nfs/dbraw/zinc/50/99/56/540509956.db2.gz HADLSTBUSYTSHD-JTQLQIEISA-N 2 1 273.302 2.332 20 0 CEADMP Brc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)nc1 ZINC000666855506 540510065 /nfs/dbraw/zinc/51/00/65/540510065.db2.gz WXDLRGYGRTZOIX-LLVKDONJSA-N 2 1 284.201 2.076 20 0 CEADMP COCc1csc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000668188637 540581604 /nfs/dbraw/zinc/58/16/04/540581604.db2.gz KJWHKMGNRFFUNB-HNNXBMFYSA-N 2 1 280.437 2.422 20 0 CEADMP COCc1csc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000668188637 540581609 /nfs/dbraw/zinc/58/16/09/540581609.db2.gz KJWHKMGNRFFUNB-HNNXBMFYSA-N 2 1 280.437 2.422 20 0 CEADMP COCc1csc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000668188637 540581612 /nfs/dbraw/zinc/58/16/12/540581612.db2.gz KJWHKMGNRFFUNB-HNNXBMFYSA-N 2 1 280.437 2.422 20 0 CEADMP COCc1csc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000668188637 540581617 /nfs/dbraw/zinc/58/16/17/540581617.db2.gz KJWHKMGNRFFUNB-HNNXBMFYSA-N 2 1 280.437 2.422 20 0 CEADMP COCc1csc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000668188637 540581619 /nfs/dbraw/zinc/58/16/19/540581619.db2.gz KJWHKMGNRFFUNB-HNNXBMFYSA-N 2 1 280.437 2.422 20 0 CEADMP c1cc(C[N@H+]2CC[C@H]2C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000668208455 540587726 /nfs/dbraw/zinc/58/77/26/540587726.db2.gz AHDQVLLWSORIDX-HNNXBMFYSA-N 2 1 254.337 2.252 20 0 CEADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000672241823 540610390 /nfs/dbraw/zinc/61/03/90/540610390.db2.gz XAQLZZITUCQHPH-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](O)c1ccccc1 ZINC000297363759 200163317 /nfs/dbraw/zinc/16/33/17/200163317.db2.gz GYMKTGOZMXMJHE-CXAGYDPISA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000578981274 366574606 /nfs/dbraw/zinc/57/46/06/366574606.db2.gz KAZPMWPSZZFUJW-OBJOEFQTSA-N 2 1 268.426 2.101 20 0 CEADMP C[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000578981274 366574609 /nfs/dbraw/zinc/57/46/09/366574609.db2.gz KAZPMWPSZZFUJW-OBJOEFQTSA-N 2 1 268.426 2.101 20 0 CEADMP CC(C)OC[C@@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000578997911 366577425 /nfs/dbraw/zinc/57/74/25/366577425.db2.gz LRHMZAPMHADYSK-CVEARBPZSA-N 2 1 286.460 2.017 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000297791482 200281768 /nfs/dbraw/zinc/28/17/68/200281768.db2.gz PYXASTBOMBIWPZ-ZBFHGGJFSA-N 2 1 289.427 2.339 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000080997012 363695535 /nfs/dbraw/zinc/69/55/35/363695535.db2.gz VJMYYRZTNMTXAH-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC2(OC)CCC2)C1 ZINC000339014919 366615028 /nfs/dbraw/zinc/61/50/28/366615028.db2.gz YKRASYAMCXLFKD-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC2(OC)CCC2)C1 ZINC000339014919 366615031 /nfs/dbraw/zinc/61/50/31/366615031.db2.gz YKRASYAMCXLFKD-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC2(OC)CCC2)C1 ZINC000339014919 366615037 /nfs/dbraw/zinc/61/50/37/366615037.db2.gz YKRASYAMCXLFKD-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CCS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000579110970 366594951 /nfs/dbraw/zinc/59/49/51/366594951.db2.gz NUYQVNFLFCZNIV-AEGPPILISA-N 2 1 286.485 2.095 20 0 CEADMP CCS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000579110970 366594953 /nfs/dbraw/zinc/59/49/53/366594953.db2.gz NUYQVNFLFCZNIV-AEGPPILISA-N 2 1 286.485 2.095 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000579229381 366612957 /nfs/dbraw/zinc/61/29/57/366612957.db2.gz VFWKJOVTCXGVDD-VKJFTORMSA-N 2 1 288.435 2.391 20 0 CEADMP Fc1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339065967 366639230 /nfs/dbraw/zinc/63/92/30/366639230.db2.gz CQDAHKKOUMGGEE-GJZGRUSLSA-N 2 1 278.371 2.421 20 0 CEADMP CCc1ccc([C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298036545 200321609 /nfs/dbraw/zinc/32/16/09/200321609.db2.gz GTEWBLAQCBKRLX-GOSISDBHSA-N 2 1 288.435 2.499 20 0 CEADMP OCc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1F ZINC000298226695 200365170 /nfs/dbraw/zinc/36/51/70/200365170.db2.gz AXPCISPZQNFSLA-UHFFFAOYSA-N 2 1 278.371 2.034 20 0 CEADMP Cc1cc(CN(C)CCC[N@@H+](C)Cc2ccco2)ncn1 ZINC000298245851 200370014 /nfs/dbraw/zinc/37/00/14/200370014.db2.gz JSLYLYJRMJHCCK-UHFFFAOYSA-N 2 1 288.395 2.332 20 0 CEADMP C[C@@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000674289931 540741026 /nfs/dbraw/zinc/74/10/26/540741026.db2.gz WMGRXDGDZWHTFR-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCOC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000674876278 540791643 /nfs/dbraw/zinc/79/16/43/540791643.db2.gz NDTLUNZBBKYDJT-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@@H](CCO)c2ccccc2)CC[N@H+]1C ZINC000178644463 189133845 /nfs/dbraw/zinc/13/38/45/189133845.db2.gz VHGAGKUJATZPLF-USXIJHARSA-N 2 1 276.424 2.225 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@@H](CCO)c2ccccc2)CC[N@H+]1C ZINC000178644491 189133918 /nfs/dbraw/zinc/13/39/18/189133918.db2.gz VHGAGKUJATZPLF-UAGQMJEPSA-N 2 1 276.424 2.225 20 0 CEADMP C[N@@H+](CCCOC(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000674908015 540796041 /nfs/dbraw/zinc/79/60/41/540796041.db2.gz IGDPURABDDCHNM-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP C[NH+](CCCOC(C)(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC000674908015 540796043 /nfs/dbraw/zinc/79/60/43/540796043.db2.gz IGDPURABDDCHNM-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP C[NH+](CCCOC(C)(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000674908015 540796045 /nfs/dbraw/zinc/79/60/45/540796045.db2.gz IGDPURABDDCHNM-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCC[C@@H](CO)C2)s1 ZINC000342250629 216279144 /nfs/dbraw/zinc/27/91/44/216279144.db2.gz PVEQYPBCRNQQAV-CHWSQXEVSA-N 2 1 297.468 2.093 20 0 CEADMP CO[C@@](C)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000638700713 370695194 /nfs/dbraw/zinc/69/51/94/370695194.db2.gz JEKULKDBBQMHES-UYTSQGDYSA-N 2 1 266.429 2.406 20 0 CEADMP COc1ccc([C@H](CCO)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000182415433 189322896 /nfs/dbraw/zinc/32/28/96/189322896.db2.gz QSTLSRAYQIQFPT-WBVHZDCISA-N 2 1 292.423 2.193 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c2ccccc21 ZINC000154340446 366768810 /nfs/dbraw/zinc/76/88/10/366768810.db2.gz ROZVWXRGXIDFSW-XEZPLFJOSA-N 2 1 262.397 2.137 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC000182822832 189336052 /nfs/dbraw/zinc/33/60/52/189336052.db2.gz MAJUSDNCRAKDMY-QGZVFWFLSA-N 2 1 276.424 2.343 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC000182822832 189336053 /nfs/dbraw/zinc/33/60/53/189336053.db2.gz MAJUSDNCRAKDMY-QGZVFWFLSA-N 2 1 276.424 2.343 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000182822832 189336054 /nfs/dbraw/zinc/33/60/54/189336054.db2.gz MAJUSDNCRAKDMY-QGZVFWFLSA-N 2 1 276.424 2.343 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000182822832 189336055 /nfs/dbraw/zinc/33/60/55/189336055.db2.gz MAJUSDNCRAKDMY-QGZVFWFLSA-N 2 1 276.424 2.343 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000580090619 366749578 /nfs/dbraw/zinc/74/95/78/366749578.db2.gz FGSRURKUMHSQNP-QGZVFWFLSA-N 2 1 276.424 2.179 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000580090619 366749579 /nfs/dbraw/zinc/74/95/79/366749579.db2.gz FGSRURKUMHSQNP-QGZVFWFLSA-N 2 1 276.424 2.179 20 0 CEADMP CCC[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000340224997 366808571 /nfs/dbraw/zinc/80/85/71/366808571.db2.gz HEKPDQPLNWWTNT-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1cnccn1 ZINC000184682154 189392541 /nfs/dbraw/zinc/39/25/41/189392541.db2.gz QSLOQUIUOYCODY-LBPRGKRZSA-N 2 1 259.357 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1cnccn1 ZINC000184682154 189392542 /nfs/dbraw/zinc/39/25/42/189392542.db2.gz QSLOQUIUOYCODY-LBPRGKRZSA-N 2 1 259.357 2.065 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2-n2cncn2)CC[N@@H+]1C ZINC000678278111 541110334 /nfs/dbraw/zinc/11/03/34/541110334.db2.gz MNBMWSKTVJWSKN-ZBFHGGJFSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2-n2cncn2)CC[N@H+]1C ZINC000678278111 541110339 /nfs/dbraw/zinc/11/03/39/541110339.db2.gz MNBMWSKTVJWSKN-ZBFHGGJFSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2-n2cncn2)CC[NH+]1C ZINC000678278111 541110341 /nfs/dbraw/zinc/11/03/41/541110341.db2.gz MNBMWSKTVJWSKN-ZBFHGGJFSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2-n2cncn2)CC[NH+]1C ZINC000678278111 541110346 /nfs/dbraw/zinc/11/03/46/541110346.db2.gz MNBMWSKTVJWSKN-ZBFHGGJFSA-N 2 1 299.422 2.182 20 0 CEADMP C[N@H+](Cc1ccccc1-n1cncn1)CC1CC[NH+](C)CC1 ZINC000678238910 541098193 /nfs/dbraw/zinc/09/81/93/541098193.db2.gz LNBWWGVACDAFCK-UHFFFAOYSA-N 2 1 299.422 2.041 20 0 CEADMP C[NH+]1CCC([NH2+]CC(C)(C)[C@H]2CCCCO2)CC1 ZINC000678597247 541155964 /nfs/dbraw/zinc/15/59/64/541155964.db2.gz DLZOIOYQLJQELQ-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](c1ccncc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000678718844 541166353 /nfs/dbraw/zinc/16/63/53/541166353.db2.gz BORALIFYFROIMY-HNNXBMFYSA-N 2 1 290.455 2.100 20 0 CEADMP Cc1nccc([C@H]2CCC[N@@H+](CCCn3ccnc3)C2)n1 ZINC000678883669 541187556 /nfs/dbraw/zinc/18/75/56/541187556.db2.gz OQQMLEDXSYSEGN-HNNXBMFYSA-N 2 1 285.395 2.251 20 0 CEADMP OCC[N@@H+](CCc1ccccc1)Cc1cccc2nccn21 ZINC000678830486 541180605 /nfs/dbraw/zinc/18/06/05/541180605.db2.gz XJFBSKKMPLLMGL-UHFFFAOYSA-N 2 1 295.386 2.371 20 0 CEADMP C[C@@H]1CC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000679024027 541205682 /nfs/dbraw/zinc/20/56/82/541205682.db2.gz XQHWRWKVFNJCQF-CPUCHLNUSA-N 2 1 296.455 2.175 20 0 CEADMP C[C@H](CCCCO)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000679338081 541259505 /nfs/dbraw/zinc/25/95/05/541259505.db2.gz BPMWCGGOYKWPOB-KFWWJZLASA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H](CCCCO)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000679338081 541259509 /nfs/dbraw/zinc/25/95/09/541259509.db2.gz BPMWCGGOYKWPOB-KFWWJZLASA-N 2 1 256.434 2.248 20 0 CEADMP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000084796657 363823156 /nfs/dbraw/zinc/82/31/56/363823156.db2.gz XCOBJRGHJYURFT-CHWSQXEVSA-N 2 1 265.426 2.476 20 0 CEADMP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000084796657 363823162 /nfs/dbraw/zinc/82/31/62/363823162.db2.gz XCOBJRGHJYURFT-CHWSQXEVSA-N 2 1 265.426 2.476 20 0 CEADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CCCCO ZINC000679341482 541260465 /nfs/dbraw/zinc/26/04/65/541260465.db2.gz HSNHMXFOYHQBQR-GJZGRUSLSA-N 2 1 256.434 2.392 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CCCCO ZINC000679341482 541260469 /nfs/dbraw/zinc/26/04/69/541260469.db2.gz HSNHMXFOYHQBQR-GJZGRUSLSA-N 2 1 256.434 2.392 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)C12CCC2 ZINC000087710463 363867389 /nfs/dbraw/zinc/86/73/89/363867389.db2.gz ZITICZDGAPBRBE-CABCVRRESA-N 2 1 266.429 2.408 20 0 CEADMP C[NH+](C)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])c1cccs1 ZINC000089147899 363936612 /nfs/dbraw/zinc/93/66/12/363936612.db2.gz NBEKRVNITJUZIP-FRRDWIJNSA-N 2 1 267.442 2.068 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679676914 541308143 /nfs/dbraw/zinc/30/81/43/541308143.db2.gz PMSZDWMFLIOQGJ-GFCCVEGCSA-N 2 1 273.327 2.285 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679676914 541308147 /nfs/dbraw/zinc/30/81/47/541308147.db2.gz PMSZDWMFLIOQGJ-GFCCVEGCSA-N 2 1 273.327 2.285 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000050248464 541323703 /nfs/dbraw/zinc/32/37/03/541323703.db2.gz CBFNAHDQWSLKMN-LLVKDONJSA-N 2 1 254.374 2.198 20 0 CEADMP COCCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090535529 364061953 /nfs/dbraw/zinc/06/19/53/364061953.db2.gz GWWIICOQYQSWKI-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(CC)(CC)CO)[C@@H](C)C1 ZINC000090800834 364065783 /nfs/dbraw/zinc/06/57/83/364065783.db2.gz DFEDESFNSGAAKP-UONOGXRCSA-N 2 1 256.434 2.105 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])n2c1 ZINC000334614660 364085394 /nfs/dbraw/zinc/08/53/94/364085394.db2.gz BKHSECCRTUWCAA-ZIAGYGMSSA-N 2 1 258.369 2.002 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000092629483 364089613 /nfs/dbraw/zinc/08/96/13/364089613.db2.gz YDIOREXLZOYIQJ-CVEARBPZSA-N 2 1 289.423 2.019 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)[nH]1 ZINC000093083943 364137481 /nfs/dbraw/zinc/13/74/81/364137481.db2.gz SCDPBTBVPNCAPG-ZDUSSCGKSA-N 2 1 293.411 2.155 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)[nH]1 ZINC000093083943 364137487 /nfs/dbraw/zinc/13/74/87/364137487.db2.gz SCDPBTBVPNCAPG-ZDUSSCGKSA-N 2 1 293.411 2.155 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CCC[NH3+])cc1 ZINC000237555545 370732496 /nfs/dbraw/zinc/73/24/96/370732496.db2.gz QOYAJPNBLKIEQA-GFCCVEGCSA-N 2 1 286.379 2.097 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CS[C@@H](C)C2)CC1 ZINC000638726111 370713969 /nfs/dbraw/zinc/71/39/69/370713969.db2.gz OBGZITDKYJQFCI-ZFWWWQNUSA-N 2 1 286.485 2.359 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638727778 370714868 /nfs/dbraw/zinc/71/48/68/370714868.db2.gz GFEIDIYTSKZZNJ-MRXNPFEDSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@@H](CO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638754212 370725940 /nfs/dbraw/zinc/72/59/40/370725940.db2.gz VBTQGECWYSEEGF-JLJPHGGASA-N 2 1 274.408 2.325 20 0 CEADMP C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638754212 370725944 /nfs/dbraw/zinc/72/59/44/370725944.db2.gz VBTQGECWYSEEGF-JLJPHGGASA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[NH3+])cc1 ZINC000237519034 370728771 /nfs/dbraw/zinc/72/87/71/370728771.db2.gz JEYBHXIQQQYPJW-ZDUSSCGKSA-N 2 1 275.396 2.348 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]2(CCCOC2)C1 ZINC000334709002 364214278 /nfs/dbraw/zinc/21/42/78/364214278.db2.gz RJDJBGAVCYTHNP-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000334709002 364214285 /nfs/dbraw/zinc/21/42/85/364214285.db2.gz RJDJBGAVCYTHNP-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000334709002 364214291 /nfs/dbraw/zinc/21/42/91/364214291.db2.gz RJDJBGAVCYTHNP-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC([NH2+]CCc2cccc3cccnc32)CC1 ZINC000093977719 364244967 /nfs/dbraw/zinc/24/49/67/364244967.db2.gz GEKQSVWANKGYGC-UHFFFAOYSA-N 2 1 269.392 2.461 20 0 CEADMP C(C[N@H+]1CCC[C@@]2(CCCOC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334784442 364265517 /nfs/dbraw/zinc/26/55/17/364265517.db2.gz LUMDNOJYYDSDKN-JKSUJKDBSA-N 2 1 266.429 2.269 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000094424207 364273636 /nfs/dbraw/zinc/27/36/36/364273636.db2.gz GUNYKYXTIBOZKP-STQMWFEESA-N 2 1 254.418 2.264 20 0 CEADMP Cc1ccncc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334867389 364279173 /nfs/dbraw/zinc/27/91/73/364279173.db2.gz DLJPPQCMEYAXFW-HOCLYGCPSA-N 2 1 259.397 2.354 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000334982172 364306687 /nfs/dbraw/zinc/30/66/87/364306687.db2.gz YWDYTMLHXFHIKG-KRWDZBQOSA-N 2 1 287.407 2.221 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000334982172 364306692 /nfs/dbraw/zinc/30/66/92/364306692.db2.gz YWDYTMLHXFHIKG-KRWDZBQOSA-N 2 1 287.407 2.221 20 0 CEADMP c1[nH]nc2cc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc12 ZINC000335668144 212386876 /nfs/dbraw/zinc/38/68/76/212386876.db2.gz SSSLFBYUWSTEII-MRXNPFEDSA-N 2 1 270.380 2.138 20 0 CEADMP c1[nH]nc2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc12 ZINC000335668144 212386877 /nfs/dbraw/zinc/38/68/77/212386877.db2.gz SSSLFBYUWSTEII-MRXNPFEDSA-N 2 1 270.380 2.138 20 0 CEADMP c1cnn(-c2cccc(C[N@@H+]3CCN4CCC3CC4)c2)c1 ZINC000335148315 364542418 /nfs/dbraw/zinc/54/24/18/364542418.db2.gz SWUROVYYZHNSSG-UHFFFAOYSA-N 2 1 282.391 2.152 20 0 CEADMP c1cnn(-c2cccc(C[N@H+]3CCN4CCC3CC4)c2)c1 ZINC000335148315 364542421 /nfs/dbraw/zinc/54/24/21/364542421.db2.gz SWUROVYYZHNSSG-UHFFFAOYSA-N 2 1 282.391 2.152 20 0 CEADMP C[C@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000158656895 366858846 /nfs/dbraw/zinc/85/88/46/366858846.db2.gz SLMXIJNZHVRWST-LUKYLMHMSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000158656895 366858852 /nfs/dbraw/zinc/85/88/52/366858852.db2.gz SLMXIJNZHVRWST-LUKYLMHMSA-N 3 1 281.488 2.284 20 0 CEADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000158656895 366858857 /nfs/dbraw/zinc/85/88/57/366858857.db2.gz SLMXIJNZHVRWST-LUKYLMHMSA-N 3 1 281.488 2.284 20 0 CEADMP COc1cccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000104095414 364677616 /nfs/dbraw/zinc/67/76/16/364677616.db2.gz XHTOAYMMEZHHHQ-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP COc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000104095414 364677619 /nfs/dbraw/zinc/67/76/19/364677619.db2.gz XHTOAYMMEZHHHQ-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP COc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000104095414 364677623 /nfs/dbraw/zinc/67/76/23/364677623.db2.gz XHTOAYMMEZHHHQ-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CCC1CCOCC1)CC2 ZINC000335717936 364878385 /nfs/dbraw/zinc/87/83/85/364878385.db2.gz IRKHIOCDOIZOOG-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CCC1CCOCC1)CC2 ZINC000335717936 364878393 /nfs/dbraw/zinc/87/83/93/364878393.db2.gz IRKHIOCDOIZOOG-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000113656086 364908386 /nfs/dbraw/zinc/90/83/86/364908386.db2.gz YNBVDQYECGECPJ-UHFFFAOYSA-N 2 1 253.415 2.273 20 0 CEADMP C[N@H+]1CC[C@H]2CCN(Cc3ccc(-c4cc[nH]n4)o3)[C@@H]2C1 ZINC000335731055 364899212 /nfs/dbraw/zinc/89/92/12/364899212.db2.gz XBCNTJDRJBFVRM-SWLSCSKDSA-N 2 1 286.379 2.196 20 0 CEADMP CN1CC[C@H]2CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)[C@@H]2C1 ZINC000335731055 364899219 /nfs/dbraw/zinc/89/92/19/364899219.db2.gz XBCNTJDRJBFVRM-SWLSCSKDSA-N 2 1 286.379 2.196 20 0 CEADMP CN1CC[C@H]2CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)[C@@H]2C1 ZINC000335731055 364899226 /nfs/dbraw/zinc/89/92/26/364899226.db2.gz XBCNTJDRJBFVRM-SWLSCSKDSA-N 2 1 286.379 2.196 20 0 CEADMP COc1ccccc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000275338527 193004500 /nfs/dbraw/zinc/00/45/00/193004500.db2.gz WPACZQFKLGSRKN-HIFRSBDPSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000275338527 193004503 /nfs/dbraw/zinc/00/45/03/193004503.db2.gz WPACZQFKLGSRKN-HIFRSBDPSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccccc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000275338527 193004506 /nfs/dbraw/zinc/00/45/06/193004506.db2.gz WPACZQFKLGSRKN-HIFRSBDPSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000275338527 193004507 /nfs/dbraw/zinc/00/45/07/193004507.db2.gz WPACZQFKLGSRKN-HIFRSBDPSA-N 2 1 262.397 2.467 20 0 CEADMP Cc1nc2ccccc2nc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000638838510 370788589 /nfs/dbraw/zinc/78/85/89/370788589.db2.gz KOXJFRVKTMHWJN-UHFFFAOYSA-N 2 1 282.391 2.290 20 0 CEADMP c1cnn(-c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)c1 ZINC000336106491 365416170 /nfs/dbraw/zinc/41/61/70/365416170.db2.gz ROBJUTCZKMOFKT-WBVHZDCISA-N 2 1 282.391 2.056 20 0 CEADMP c1cnn(-c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)c1 ZINC000336106491 365416176 /nfs/dbraw/zinc/41/61/76/365416176.db2.gz ROBJUTCZKMOFKT-WBVHZDCISA-N 2 1 282.391 2.056 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]Cc2cncn2C)C[N@@H+]1Cc1ccccc1 ZINC000120289627 365401586 /nfs/dbraw/zinc/40/15/86/365401586.db2.gz ANRIRDRSCYNSRW-WBVHZDCISA-N 2 1 298.434 2.420 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]Cc2cncn2C)C[N@H+]1Cc1ccccc1 ZINC000120289627 365401590 /nfs/dbraw/zinc/40/15/90/365401590.db2.gz ANRIRDRSCYNSRW-WBVHZDCISA-N 2 1 298.434 2.420 20 0 CEADMP COC(=O)[C@H](C)C[N@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000120475603 365431244 /nfs/dbraw/zinc/43/12/44/365431244.db2.gz BAVUHUUFKUZOHN-CYBMUJFWSA-N 2 1 293.411 2.245 20 0 CEADMP COC(=O)[C@H](C)C[N@@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000120475603 365431247 /nfs/dbraw/zinc/43/12/47/365431247.db2.gz BAVUHUUFKUZOHN-CYBMUJFWSA-N 2 1 293.411 2.245 20 0 CEADMP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000120612751 365450515 /nfs/dbraw/zinc/45/05/15/365450515.db2.gz OJEQZKJLPYGLTG-OAHLLOKOSA-N 2 1 284.831 2.359 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)C2CCCCC2)[C@@H](C)C1 ZINC000340486646 366904417 /nfs/dbraw/zinc/90/44/17/366904417.db2.gz TVITYSMSMRKYMR-XIRDDKMYSA-N 2 1 282.472 2.495 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@]1(C)CCCO1 ZINC000340480577 366902815 /nfs/dbraw/zinc/90/28/15/366902815.db2.gz SAOZOIQXTKWQGT-HOTGVXAUSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@]1(C)CCCO1 ZINC000340480576 366903293 /nfs/dbraw/zinc/90/32/93/366903293.db2.gz SAOZOIQXTKWQGT-CVEARBPZSA-N 2 1 296.455 2.179 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@](C)(c2ccccc2)C1 ZINC000582398728 366904577 /nfs/dbraw/zinc/90/45/77/366904577.db2.gz PCVBBZCMWCTKHD-ROUUACIJSA-N 2 1 290.451 2.353 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000582398728 366904596 /nfs/dbraw/zinc/90/45/96/366904596.db2.gz PCVBBZCMWCTKHD-ROUUACIJSA-N 2 1 290.451 2.353 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000582398728 366904601 /nfs/dbraw/zinc/90/46/01/366904601.db2.gz PCVBBZCMWCTKHD-ROUUACIJSA-N 2 1 290.451 2.353 20 0 CEADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000582752865 366952895 /nfs/dbraw/zinc/95/28/95/366952895.db2.gz GGXGGFDSXLVQTL-WFASDCNBSA-N 2 1 288.395 2.442 20 0 CEADMP COCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000583051461 366993880 /nfs/dbraw/zinc/99/38/80/366993880.db2.gz QGDFNIWKKUPTFK-CQSZACIVSA-N 2 1 282.453 2.457 20 0 CEADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000340701188 366996123 /nfs/dbraw/zinc/99/61/23/366996123.db2.gz KLMSYRUVXSYOQY-SJORKVTESA-N 2 1 276.424 2.176 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000583262735 367023833 /nfs/dbraw/zinc/02/38/33/367023833.db2.gz PLOYZIHTKRDWHK-HNNXBMFYSA-N 2 1 275.396 2.348 20 0 CEADMP COCC[N@H+](Cc1cccs1)C[C@@]1(C)CC[NH2+]C1 ZINC000340712685 366998917 /nfs/dbraw/zinc/99/89/17/366998917.db2.gz PTMSFJLEBKXUSY-AWEZNQCLSA-N 2 1 268.426 2.196 20 0 CEADMP COCC[N@@H+](Cc1cccs1)C[C@@]1(C)CC[NH2+]C1 ZINC000340712685 366998919 /nfs/dbraw/zinc/99/89/19/366998919.db2.gz PTMSFJLEBKXUSY-AWEZNQCLSA-N 2 1 268.426 2.196 20 0 CEADMP CCOc1cccc(C[N@H+](C)CCC[NH3+])c1OC(F)F ZINC000583263616 367024039 /nfs/dbraw/zinc/02/40/39/367024039.db2.gz YOADRJSGJCNOPQ-UHFFFAOYSA-N 2 1 288.338 2.467 20 0 CEADMP CCOc1cccc(C[N@@H+](C)CCC[NH3+])c1OC(F)F ZINC000583263616 367024044 /nfs/dbraw/zinc/02/40/44/367024044.db2.gz YOADRJSGJCNOPQ-UHFFFAOYSA-N 2 1 288.338 2.467 20 0 CEADMP C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)C1C[NH2+]C1 ZINC000583747069 367090770 /nfs/dbraw/zinc/09/07/70/367090770.db2.gz SLHFZEJSVHFWSX-NHYWBVRUSA-N 2 1 281.831 2.140 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)Nc1ccnc(C2CC2)n1 ZINC000341111272 367177886 /nfs/dbraw/zinc/17/78/86/367177886.db2.gz FBLJFKYOBRMLLH-GFCCVEGCSA-N 2 1 262.401 2.308 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn3ccccc23)[C@@H](C)C1 ZINC000245688539 370857381 /nfs/dbraw/zinc/85/73/81/370857381.db2.gz BBGVKCLDPVBMLE-GOEBONIOSA-N 2 1 286.423 2.496 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn3ccccc23)[C@@H](C)C1 ZINC000245688539 370857385 /nfs/dbraw/zinc/85/73/85/370857385.db2.gz BBGVKCLDPVBMLE-GOEBONIOSA-N 2 1 286.423 2.496 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn3ccccc23)[C@@H](C)C1 ZINC000245688539 370857386 /nfs/dbraw/zinc/85/73/86/370857386.db2.gz BBGVKCLDPVBMLE-GOEBONIOSA-N 2 1 286.423 2.496 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn3ccccc23)[C@@H](C)C1 ZINC000245688539 370857388 /nfs/dbraw/zinc/85/73/88/370857388.db2.gz BBGVKCLDPVBMLE-GOEBONIOSA-N 2 1 286.423 2.496 20 0 CEADMP Cn1cnc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)ccc21 ZINC000341187579 367213058 /nfs/dbraw/zinc/21/30/58/367213058.db2.gz NJNKEKVTJFCZFG-GJZGRUSLSA-N 2 1 284.407 2.290 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000163391401 367237558 /nfs/dbraw/zinc/23/75/58/367237558.db2.gz HODXRPCZRKQHQT-ZFWWWQNUSA-N 2 1 276.428 2.214 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000163391401 367237561 /nfs/dbraw/zinc/23/75/61/367237561.db2.gz HODXRPCZRKQHQT-ZFWWWQNUSA-N 2 1 276.428 2.214 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000163391401 367237564 /nfs/dbraw/zinc/23/75/64/367237564.db2.gz HODXRPCZRKQHQT-ZFWWWQNUSA-N 2 1 276.428 2.214 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000163391401 367237569 /nfs/dbraw/zinc/23/75/69/367237569.db2.gz HODXRPCZRKQHQT-ZFWWWQNUSA-N 2 1 276.428 2.214 20 0 CEADMP C[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000164574196 367290146 /nfs/dbraw/zinc/29/01/46/367290146.db2.gz PMPVCCNLYGHXNS-CHWSQXEVSA-N 2 1 275.396 2.204 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000165280497 367305272 /nfs/dbraw/zinc/30/52/72/367305272.db2.gz QJJHKKXSLFBGTN-UHFFFAOYSA-N 2 1 297.487 2.330 20 0 CEADMP Cc1ccc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)c(C[NH+](C)C)c1 ZINC000342590401 367437786 /nfs/dbraw/zinc/43/77/86/367437786.db2.gz SGUAIHJUGGHQHV-HIFRSBDPSA-N 2 1 289.423 2.193 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631608909 367439140 /nfs/dbraw/zinc/43/91/40/367439140.db2.gz SVELCXTWUXABHH-MRXNPFEDSA-N 2 1 257.381 2.311 20 0 CEADMP Cc1cnc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C ZINC000342775466 367528814 /nfs/dbraw/zinc/52/88/14/367528814.db2.gz FTRQJOVMWGVHTF-MRXNPFEDSA-N 2 1 298.434 2.435 20 0 CEADMP Cc1cnc(CN2CCN(Cc3ccccc3)C[C@H]2C)n1C ZINC000342775466 367528818 /nfs/dbraw/zinc/52/88/18/367528818.db2.gz FTRQJOVMWGVHTF-MRXNPFEDSA-N 2 1 298.434 2.435 20 0 CEADMP FC1(F)CC[C@@H](C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000631827373 367565718 /nfs/dbraw/zinc/56/57/18/367565718.db2.gz NDMKLLVBXWELGH-CHWSQXEVSA-N 2 1 258.356 2.497 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)C1CCCCC1 ZINC000342807352 367548439 /nfs/dbraw/zinc/54/84/39/367548439.db2.gz YGDRNUFDFIPOGS-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000342807352 367548448 /nfs/dbraw/zinc/54/84/48/367548448.db2.gz YGDRNUFDFIPOGS-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000342807352 367548452 /nfs/dbraw/zinc/54/84/52/367548452.db2.gz YGDRNUFDFIPOGS-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+](CCC)CCCN[C@H]1C[N@@H+](C)C[C@H]1C ZINC000342862987 367577509 /nfs/dbraw/zinc/57/75/09/367577509.db2.gz VCBVTBQGECDQLL-CABCVRRESA-N 2 1 255.450 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000631843194 367586490 /nfs/dbraw/zinc/58/64/90/367586490.db2.gz KDZOZLPHZKITGN-VXGBXAGGSA-N 2 1 268.788 2.245 20 0 CEADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000631840621 367581329 /nfs/dbraw/zinc/58/13/29/367581329.db2.gz DDLJXWKASWUMGB-KBUPBQIOSA-N 2 1 254.418 2.108 20 0 CEADMP CCCOc1ccc(OCC[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631842858 367583589 /nfs/dbraw/zinc/58/35/89/367583589.db2.gz GYKGPAVYOZIKKF-HUUCEWRRSA-N 2 1 292.423 2.381 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000681547848 541565285 /nfs/dbraw/zinc/56/52/85/541565285.db2.gz PZCWSHPJTCIAQW-UHFFFAOYSA-N 2 1 295.390 2.247 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2ccc(Cl)c(F)c2)C[C@H]1C[NH3+] ZINC000631837242 367576954 /nfs/dbraw/zinc/57/69/54/367576954.db2.gz PQRCECBVURNXMO-GHMZBOCLSA-N 2 1 286.778 2.385 20 0 CEADMP c1ccc(COCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631889571 367610546 /nfs/dbraw/zinc/61/05/46/367610546.db2.gz HMVCDDKNAIKLNE-IRXDYDNUSA-N 2 1 274.408 2.277 20 0 CEADMP FC1(F)CC[C@H](C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889159 367610968 /nfs/dbraw/zinc/61/09/68/367610968.db2.gz CMZSRHWSNMFQIW-XQQFMLRXSA-N 2 1 258.356 2.496 20 0 CEADMP FC1(F)CC[C@H](C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889159 367610973 /nfs/dbraw/zinc/61/09/73/367610973.db2.gz CMZSRHWSNMFQIW-XQQFMLRXSA-N 2 1 258.356 2.496 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)C1C[NH2+]C1 ZINC000335026003 299376006 /nfs/dbraw/zinc/37/60/06/299376006.db2.gz XWKWHSKXQHVXDT-IINYFYTJSA-N 2 1 264.344 2.237 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245786008 370873862 /nfs/dbraw/zinc/87/38/62/370873862.db2.gz ZMVRCRORJSGRHY-QSPRXWTASA-N 2 1 274.408 2.152 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000172856091 367830401 /nfs/dbraw/zinc/83/04/01/367830401.db2.gz QVTPEKALTQIBIK-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)CC1CCCC1 ZINC000343621692 367921286 /nfs/dbraw/zinc/92/12/86/367921286.db2.gz UTBTYQRUMIBSBF-MUIFIZLQSA-N 2 1 282.472 2.494 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1 ZINC000173318296 367896129 /nfs/dbraw/zinc/89/61/29/367896129.db2.gz MTDZYHZHRUSLBU-CQSZACIVSA-N 2 1 250.386 2.306 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000343582168 367896965 /nfs/dbraw/zinc/89/69/65/367896965.db2.gz XXAMCTOOJFCWKG-BMFZPTHFSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000343582168 367896970 /nfs/dbraw/zinc/89/69/70/367896970.db2.gz XXAMCTOOJFCWKG-BMFZPTHFSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)[C@H](C)C1 ZINC000173364183 367902532 /nfs/dbraw/zinc/90/25/32/367902532.db2.gz NEZICKUXVNGQTE-RHSMWYFYSA-N 2 1 299.422 2.087 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000173785682 367943450 /nfs/dbraw/zinc/94/34/50/367943450.db2.gz LRJDKMRPEYGODW-MRXNPFEDSA-N 2 1 261.413 2.288 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000173785682 367943453 /nfs/dbraw/zinc/94/34/53/367943453.db2.gz LRJDKMRPEYGODW-MRXNPFEDSA-N 2 1 261.413 2.288 20 0 CEADMP Cc1ncsc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000174316110 368010522 /nfs/dbraw/zinc/01/05/22/368010522.db2.gz RSCVXCWIUOJBKM-BETUJISGSA-N 2 1 297.468 2.431 20 0 CEADMP C[C@H](CCO)C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000344271907 368117827 /nfs/dbraw/zinc/11/78/27/368117827.db2.gz APTAFCPDURTYFI-OWCLPIDISA-N 2 1 280.456 2.392 20 0 CEADMP C[C@H](CCO)C1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000344282677 368118300 /nfs/dbraw/zinc/11/83/00/368118300.db2.gz FSDGSCOJOZPBSZ-KFWWJZLASA-N 2 1 268.445 2.105 20 0 CEADMP CCOCC(C)(C)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000343948291 368085962 /nfs/dbraw/zinc/08/59/62/368085962.db2.gz XXVPFAYDKUKPLB-KBPBESRZSA-N 2 1 256.434 2.369 20 0 CEADMP C(C[NH+]1CC[C@@H](C2CC2)C1)OCC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000344001076 368101142 /nfs/dbraw/zinc/10/11/42/368101142.db2.gz GRPZQDKXBJUPMV-QZTJIDSGSA-N 2 1 292.467 2.467 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000345151547 368172444 /nfs/dbraw/zinc/17/24/44/368172444.db2.gz CVPXGEDZTGZJND-HZPDHXFCSA-N 2 1 278.444 2.373 20 0 CEADMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000345189321 368187313 /nfs/dbraw/zinc/18/73/13/368187313.db2.gz RHYWRGPMXYHNGT-UHFFFAOYSA-N 2 1 276.380 2.055 20 0 CEADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C)[NH+]1CCCCC1 ZINC000345301792 368227784 /nfs/dbraw/zinc/22/77/84/368227784.db2.gz UGBYPBUVKDJFAY-BZUAXINKSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](OC)C(F)(F)F)[C@H](C)C1 ZINC000345473742 368289931 /nfs/dbraw/zinc/28/99/31/368289931.db2.gz AXSFMBXOTCCXOK-WOPDTQHZSA-N 2 1 282.350 2.274 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(Cl)cn2)CC[N@@H+]1C ZINC000181324250 368443946 /nfs/dbraw/zinc/44/39/46/368443946.db2.gz SADZCUDFNKQPEU-WCQYABFASA-N 2 1 283.803 2.186 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(Cl)cn2)CC[N@H+]1C ZINC000181324250 368443953 /nfs/dbraw/zinc/44/39/53/368443953.db2.gz SADZCUDFNKQPEU-WCQYABFASA-N 2 1 283.803 2.186 20 0 CEADMP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1nccn1C ZINC000182279464 368544870 /nfs/dbraw/zinc/54/48/70/368544870.db2.gz VYPCJWCFLXRENE-ZDUSSCGKSA-N 2 1 272.396 2.333 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183653622 368638752 /nfs/dbraw/zinc/63/87/52/368638752.db2.gz MXQJXRDSVNLKOP-TZMCWYRMSA-N 2 1 251.374 2.129 20 0 CEADMP CC(C)[C@@](C)(O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000185004026 368735493 /nfs/dbraw/zinc/73/54/93/368735493.db2.gz AHFJGJZTRURPKR-INIZCTEOSA-N 2 1 279.428 2.082 20 0 CEADMP C[S@](=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246166857 370918162 /nfs/dbraw/zinc/91/81/62/370918162.db2.gz FPHLLSJSLQXTHW-AVYPCKFXSA-N 2 1 292.448 2.140 20 0 CEADMP C[S@](=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246166857 370918171 /nfs/dbraw/zinc/91/81/71/370918171.db2.gz FPHLLSJSLQXTHW-AVYPCKFXSA-N 2 1 292.448 2.140 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000346671496 368762769 /nfs/dbraw/zinc/76/27/69/368762769.db2.gz JTVFNLRMUIHTEG-ZYHUDNBSSA-N 2 1 290.436 2.442 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000346671496 368762776 /nfs/dbraw/zinc/76/27/76/368762776.db2.gz JTVFNLRMUIHTEG-ZYHUDNBSSA-N 2 1 290.436 2.442 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000346671485 368763128 /nfs/dbraw/zinc/76/31/28/368763128.db2.gz JTVFNLRMUIHTEG-CMPLNLGQSA-N 2 1 290.436 2.442 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000346671485 368763132 /nfs/dbraw/zinc/76/31/32/368763132.db2.gz JTVFNLRMUIHTEG-CMPLNLGQSA-N 2 1 290.436 2.442 20 0 CEADMP CC(C)[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000358181171 370939139 /nfs/dbraw/zinc/93/91/39/370939139.db2.gz AXABGZDIZNZVOT-MRXNPFEDSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](C)CC1CCOCC1 ZINC000346685281 368768195 /nfs/dbraw/zinc/76/81/95/368768195.db2.gz QPZWRGTVCHZAKA-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](C)CC1CCOCC1 ZINC000346685281 368768205 /nfs/dbraw/zinc/76/82/05/368768205.db2.gz QPZWRGTVCHZAKA-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346686334 368768467 /nfs/dbraw/zinc/76/84/67/368768467.db2.gz UFJAFLWOUSKCDL-DZGCQCFKSA-N 2 1 284.407 2.350 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000346686346 368769068 /nfs/dbraw/zinc/76/90/68/368769068.db2.gz UGIRJJRVJGSGPM-GXTWGEPZSA-N 2 1 278.396 2.263 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)cnc21 ZINC000346694026 368776132 /nfs/dbraw/zinc/77/61/32/368776132.db2.gz RJFQFDPDVWQPNR-CHWSQXEVSA-N 2 1 287.411 2.181 20 0 CEADMP CN(Cc1cnc(-c2ccccc2)[nH]1)CC(C)(C)C[NH3+] ZINC000346647741 368750293 /nfs/dbraw/zinc/75/02/93/368750293.db2.gz BFGXQPYYYLPYSD-UHFFFAOYSA-N 2 1 272.396 2.493 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCCCO2)CC[N@@H+]1C ZINC000347429665 368807772 /nfs/dbraw/zinc/80/77/72/368807772.db2.gz BWPDGWQFFCFADR-ILXRZTDVSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCCCO2)CC[N@H+]1C ZINC000347429665 368807778 /nfs/dbraw/zinc/80/77/78/368807778.db2.gz BWPDGWQFFCFADR-ILXRZTDVSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCCCO2)CC[NH+]1C ZINC000347429665 368807784 /nfs/dbraw/zinc/80/77/84/368807784.db2.gz BWPDGWQFFCFADR-ILXRZTDVSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CCCCO2)CC[NH+]1C ZINC000347429665 368807787 /nfs/dbraw/zinc/80/77/87/368807787.db2.gz BWPDGWQFFCFADR-ILXRZTDVSA-N 2 1 254.418 2.360 20 0 CEADMP CN(Cc1cccc2ncccc12)[C@@H](C[NH3+])C1CC1 ZINC000634688546 368816779 /nfs/dbraw/zinc/81/67/79/368816779.db2.gz VWRQKAWOGJVKIT-INIZCTEOSA-N 2 1 255.365 2.404 20 0 CEADMP C[N@H+](Cc1cccc2ncccc12)[C@@H](C[NH3+])C1CC1 ZINC000634688546 368816781 /nfs/dbraw/zinc/81/67/81/368816781.db2.gz VWRQKAWOGJVKIT-INIZCTEOSA-N 2 1 255.365 2.404 20 0 CEADMP C[N@@H+](Cc1cccc2ncccc12)[C@@H](C[NH3+])C1CC1 ZINC000634688546 368816782 /nfs/dbraw/zinc/81/67/82/368816782.db2.gz VWRQKAWOGJVKIT-INIZCTEOSA-N 2 1 255.365 2.404 20 0 CEADMP COc1cc(C)nc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634732585 368844739 /nfs/dbraw/zinc/84/47/39/368844739.db2.gz JRCKTBCYRRDZPY-ZDUSSCGKSA-N 2 1 277.412 2.266 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347955252 368839150 /nfs/dbraw/zinc/83/91/50/368839150.db2.gz LWUUMNIFMDGRNC-LZWOXQAQSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000347017374 368796776 /nfs/dbraw/zinc/79/67/76/368796776.db2.gz DMTSQZJPQSHLFH-KBPBESRZSA-N 2 1 262.397 2.340 20 0 CEADMP C[C@@H]([NH2+]CCN1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348070442 368884723 /nfs/dbraw/zinc/88/47/23/368884723.db2.gz DGCQMDVZEVOEDV-SJLPKXTDSA-N 2 1 287.451 2.192 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@@H]4C[NH2+]CC[C@H]43)c2c1C ZINC000634812206 368901740 /nfs/dbraw/zinc/90/17/40/368901740.db2.gz CHCPDHGLWPQNQR-CHWSQXEVSA-N 2 1 285.395 2.153 20 0 CEADMP CCN(CC)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185718204 368848461 /nfs/dbraw/zinc/84/84/61/368848461.db2.gz SRXVCMGHYUDOEV-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCN(CC)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718204 368848462 /nfs/dbraw/zinc/84/84/62/368848462.db2.gz SRXVCMGHYUDOEV-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000348158620 368925930 /nfs/dbraw/zinc/92/59/30/368925930.db2.gz NBIHYMSIPVXMKH-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCSCC[C@@H]1C ZINC000348182398 368937200 /nfs/dbraw/zinc/93/72/00/368937200.db2.gz KZAYAAKAOMNREK-LBPRGKRZSA-N 2 1 253.415 2.409 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCSCC[C@@H]1C ZINC000348182398 368937204 /nfs/dbraw/zinc/93/72/04/368937204.db2.gz KZAYAAKAOMNREK-LBPRGKRZSA-N 2 1 253.415 2.409 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634992670 369021585 /nfs/dbraw/zinc/02/15/85/369021585.db2.gz XEUYQKGCVYKPRG-VEZWFGLTSA-N 2 1 291.483 2.325 20 0 CEADMP C([N@@H+]1CCSC2(CCCCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634993126 369022210 /nfs/dbraw/zinc/02/22/10/369022210.db2.gz LRLJZJPDSXYNPS-UHFFFAOYSA-N 2 1 266.454 2.490 20 0 CEADMP C([N@H+]1CCSC2(CCCCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634993126 369022214 /nfs/dbraw/zinc/02/22/14/369022214.db2.gz LRLJZJPDSXYNPS-UHFFFAOYSA-N 2 1 266.454 2.490 20 0 CEADMP CC(C)[C@H](C[NH3+])C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000634994563 369023486 /nfs/dbraw/zinc/02/34/86/369023486.db2.gz HJAABDPCGBGCPG-OAHLLOKOSA-N 3 1 255.450 2.058 20 0 CEADMP CC(C)[C@H](C[NH3+])C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000634994563 369023487 /nfs/dbraw/zinc/02/34/87/369023487.db2.gz HJAABDPCGBGCPG-OAHLLOKOSA-N 3 1 255.450 2.058 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000186734077 369029071 /nfs/dbraw/zinc/02/90/71/369029071.db2.gz QWDPVOHGFIYMGH-IXDOHACOSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1nccs1 ZINC000186736878 369030766 /nfs/dbraw/zinc/03/07/66/369030766.db2.gz CKUUMULXRWXSDK-WOPDTQHZSA-N 2 1 253.415 2.319 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C[C@H]1C[NH3+] ZINC000634998802 369030868 /nfs/dbraw/zinc/03/08/68/369030868.db2.gz LHSLQOXDQOCMNR-WZRBSPASSA-N 2 1 281.425 2.021 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C[C@H]1C[NH3+] ZINC000634998802 369030876 /nfs/dbraw/zinc/03/08/76/369030876.db2.gz LHSLQOXDQOCMNR-WZRBSPASSA-N 2 1 281.425 2.021 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnc([C@H]3CCCO3)s2)C[C@H]1C[NH3+] ZINC000634998800 369032137 /nfs/dbraw/zinc/03/21/37/369032137.db2.gz LHSLQOXDQOCMNR-NQBHXWOUSA-N 2 1 281.425 2.021 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C[C@H]1C[NH3+] ZINC000634998800 369032138 /nfs/dbraw/zinc/03/21/38/369032138.db2.gz LHSLQOXDQOCMNR-NQBHXWOUSA-N 2 1 281.425 2.021 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1F ZINC000634999093 369032218 /nfs/dbraw/zinc/03/22/18/369032218.db2.gz PVLQZTCWMUEBHK-WCQYABFASA-N 2 1 266.360 2.251 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1F ZINC000634999093 369032220 /nfs/dbraw/zinc/03/22/20/369032220.db2.gz PVLQZTCWMUEBHK-WCQYABFASA-N 2 1 266.360 2.251 20 0 CEADMP Cc1cc(C[NH+]2CCC([NH2+]CCO)CC2)cc2cccnc12 ZINC000635001600 369037350 /nfs/dbraw/zinc/03/73/50/369037350.db2.gz WHMWCJJDUGSFQZ-UHFFFAOYSA-N 2 1 299.418 2.090 20 0 CEADMP C[C@@H]1C[C@@H](NCC[C@@H]([NH3+])Cc2ccccc2)CC[N@H+]1C ZINC000635004667 369040077 /nfs/dbraw/zinc/04/00/77/369040077.db2.gz FWUMICKMWNQIRT-OIISXLGYSA-N 2 1 275.440 2.019 20 0 CEADMP COC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000186510121 368986598 /nfs/dbraw/zinc/98/65/98/368986598.db2.gz JZJGGFXIIXXOKD-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000634952941 368987100 /nfs/dbraw/zinc/98/71/00/368987100.db2.gz MPUOWRVPKAQEGV-XHSDSOJGSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000634961323 368994375 /nfs/dbraw/zinc/99/43/75/368994375.db2.gz RIBDJUQWHXVDMO-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000634961323 368994379 /nfs/dbraw/zinc/99/43/79/368994379.db2.gz RIBDJUQWHXVDMO-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP CCOC[C@@H]([NH2+]CCCn1cc[nH+]c1C)C(C)C ZINC000348445312 369049337 /nfs/dbraw/zinc/04/93/37/369049337.db2.gz SBFNRHHZOUQYRW-CQSZACIVSA-N 2 1 253.390 2.232 20 0 CEADMP C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1c[nH+]ccc1N ZINC000635012689 369051780 /nfs/dbraw/zinc/05/17/80/369051780.db2.gz NNTZJXIZQDLVCM-LBPRGKRZSA-N 2 1 283.375 2.418 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000635013234 369051905 /nfs/dbraw/zinc/05/19/05/369051905.db2.gz DLRHQNKEWFSQPF-UXIGCNINSA-N 2 1 282.815 2.004 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3C[NH2+]CC[C@@H]3C)C2)cc1 ZINC000635014244 369054653 /nfs/dbraw/zinc/05/46/53/369054653.db2.gz ZLKCMOJBAVLCEC-SZMVWBNQSA-N 2 1 287.451 2.157 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](CO)C2)[C@@H]2CCC[C@@H]21 ZINC000348693661 369123546 /nfs/dbraw/zinc/12/35/46/369123546.db2.gz HDTZVIUACFWVTO-XAJHFOFHSA-N 2 1 280.456 2.248 20 0 CEADMP C[NH+](C)CC1(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000635217626 369107284 /nfs/dbraw/zinc/10/72/84/369107284.db2.gz VSNXFJQSCHZODD-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+](CC(=O)N1CCC[C@H]1C[NH+]1CCCC1)CC(C)(C)C ZINC000635453179 369178317 /nfs/dbraw/zinc/17/83/17/369178317.db2.gz LZJOILJMQJEFDM-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP COC[C@H](C)C[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000187676357 369200047 /nfs/dbraw/zinc/20/00/47/369200047.db2.gz SUISIHCRNLBFQI-HIFRSBDPSA-N 2 1 256.434 2.369 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCC[C@H](CC)C1 ZINC000348954888 369208914 /nfs/dbraw/zinc/20/89/14/369208914.db2.gz GUZLCRNVLZMPJD-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+](C)CC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000348954888 369208918 /nfs/dbraw/zinc/20/89/18/369208918.db2.gz GUZLCRNVLZMPJD-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+](C)CC(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000348954888 369208922 /nfs/dbraw/zinc/20/89/22/369208922.db2.gz GUZLCRNVLZMPJD-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H]1CCSC1 ZINC000349069960 369235000 /nfs/dbraw/zinc/23/50/00/369235000.db2.gz AASLIANOFRZWPG-HZPDHXFCSA-N 2 1 299.528 2.087 20 0 CEADMP CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@H+]1C1CCCC1)[NH+](C)C ZINC000635556430 369218577 /nfs/dbraw/zinc/21/85/77/369218577.db2.gz OQHZRZAKBDWCTB-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000349142955 369250023 /nfs/dbraw/zinc/25/00/23/369250023.db2.gz ASZOKGDEHRCTSU-OAHLLOKOSA-N 2 1 296.455 2.239 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC000635598297 369238429 /nfs/dbraw/zinc/23/84/29/369238429.db2.gz WWWZDLGNCVUTKW-LSDHHAIUSA-N 2 1 297.487 2.296 20 0 CEADMP CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC000635598297 369238433 /nfs/dbraw/zinc/23/84/33/369238433.db2.gz WWWZDLGNCVUTKW-LSDHHAIUSA-N 2 1 297.487 2.296 20 0 CEADMP CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC000635598297 369238436 /nfs/dbraw/zinc/23/84/36/369238436.db2.gz WWWZDLGNCVUTKW-LSDHHAIUSA-N 2 1 297.487 2.296 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCO[C@@H](C)C1 ZINC000349422366 369326016 /nfs/dbraw/zinc/32/60/16/369326016.db2.gz VGXLSSVECDGLRH-DZGCQCFKSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCO[C@@H](C)C1 ZINC000349422366 369326022 /nfs/dbraw/zinc/32/60/22/369326022.db2.gz VGXLSSVECDGLRH-DZGCQCFKSA-N 2 1 265.401 2.329 20 0 CEADMP C[N@@H+](CC(=O)NC[C@H]1CCCC[NH+]1C1CC1)CC(C)(C)C ZINC000635858046 369380154 /nfs/dbraw/zinc/38/01/54/369380154.db2.gz BLVKQXGEPAWMCQ-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)CC(C)(C)C ZINC000635858046 369380157 /nfs/dbraw/zinc/38/01/57/369380157.db2.gz BLVKQXGEPAWMCQ-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)CC(C)(C)C ZINC000635858046 369380162 /nfs/dbraw/zinc/38/01/62/369380162.db2.gz BLVKQXGEPAWMCQ-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)c1[nH+]ccn1CC(=O)NC(C)(C)CCC[NH+](C)C ZINC000635990752 369446280 /nfs/dbraw/zinc/44/62/80/369446280.db2.gz FRUWETOMAOQRQE-UHFFFAOYSA-N 2 1 294.443 2.243 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000246356562 370950883 /nfs/dbraw/zinc/95/08/83/370950883.db2.gz WVPROAVUIIKBAY-CHWSQXEVSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000246356562 370950889 /nfs/dbraw/zinc/95/08/89/370950889.db2.gz WVPROAVUIIKBAY-CHWSQXEVSA-N 2 1 251.374 2.081 20 0 CEADMP CCC1(C)CCC([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358228197 370960639 /nfs/dbraw/zinc/96/06/39/370960639.db2.gz FCGYOOZBABCXDL-YMAMQOFZSA-N 2 1 254.418 2.002 20 0 CEADMP CCC1(C)CCC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358228197 370960645 /nfs/dbraw/zinc/96/06/45/370960645.db2.gz FCGYOOZBABCXDL-YMAMQOFZSA-N 2 1 254.418 2.002 20 0 CEADMP CCc1ccc([C@H](CC)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358248842 370971871 /nfs/dbraw/zinc/97/18/71/370971871.db2.gz JJOQKKCSMRLNQY-DLBZAZTESA-N 2 1 276.424 2.356 20 0 CEADMP CCc1ccc([C@H](CC)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358248842 370971875 /nfs/dbraw/zinc/97/18/75/370971875.db2.gz JJOQKKCSMRLNQY-DLBZAZTESA-N 2 1 276.424 2.356 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000358251974 370972986 /nfs/dbraw/zinc/97/29/86/370972986.db2.gz NABPSBXFLXBPOP-KDOFPFPSSA-N 2 1 288.435 2.283 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000358251974 370972994 /nfs/dbraw/zinc/97/29/94/370972994.db2.gz NABPSBXFLXBPOP-KDOFPFPSSA-N 2 1 288.435 2.283 20 0 CEADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358257606 370977625 /nfs/dbraw/zinc/97/76/25/370977625.db2.gz SEFJJBZPZPQLOP-ROUUACIJSA-N 2 1 290.451 2.300 20 0 CEADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358257606 370977628 /nfs/dbraw/zinc/97/76/28/370977628.db2.gz SEFJJBZPZPQLOP-ROUUACIJSA-N 2 1 290.451 2.300 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc(C)c1F ZINC000358254376 370974851 /nfs/dbraw/zinc/97/48/51/370974851.db2.gz PKSYXXXNFDCUPD-BBRMVZONSA-N 2 1 280.387 2.160 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc(C)c1F ZINC000358254376 370974853 /nfs/dbraw/zinc/97/48/53/370974853.db2.gz PKSYXXXNFDCUPD-BBRMVZONSA-N 2 1 280.387 2.160 20 0 CEADMP CCc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)s1 ZINC000358265324 370983339 /nfs/dbraw/zinc/98/33/39/370983339.db2.gz ZPPYEOULGHMWSM-FZMZJTMJSA-N 2 1 268.426 2.028 20 0 CEADMP CCc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC000358265324 370983344 /nfs/dbraw/zinc/98/33/44/370983344.db2.gz ZPPYEOULGHMWSM-FZMZJTMJSA-N 2 1 268.426 2.028 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1CCC=CCC1 ZINC000636161819 369540821 /nfs/dbraw/zinc/54/08/21/369540821.db2.gz ROYJLSUXWJUZLA-HNNXBMFYSA-N 2 1 295.471 2.121 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1CCC=CCC1 ZINC000636161819 369540827 /nfs/dbraw/zinc/54/08/27/369540827.db2.gz ROYJLSUXWJUZLA-HNNXBMFYSA-N 2 1 295.471 2.121 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000276207641 193243715 /nfs/dbraw/zinc/24/37/15/193243715.db2.gz AJGZINVLJQFVQV-LBPRGKRZSA-N 2 1 289.379 2.331 20 0 CEADMP Cc1scc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1C ZINC000639113809 370990394 /nfs/dbraw/zinc/99/03/94/370990394.db2.gz VZIYXQKXTQXUSK-BETUJISGSA-N 2 1 250.411 2.358 20 0 CEADMP Cc1scc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1C ZINC000639113809 370990401 /nfs/dbraw/zinc/99/04/01/370990401.db2.gz VZIYXQKXTQXUSK-BETUJISGSA-N 2 1 250.411 2.358 20 0 CEADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000351603357 369643984 /nfs/dbraw/zinc/64/39/84/369643984.db2.gz KOHJJVGWXMZCKA-VHDGCEQUSA-N 2 1 268.445 2.246 20 0 CEADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351603357 369643988 /nfs/dbraw/zinc/64/39/88/369643988.db2.gz KOHJJVGWXMZCKA-VHDGCEQUSA-N 2 1 268.445 2.246 20 0 CEADMP C[C@H]1CCCCN1C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352487448 369752591 /nfs/dbraw/zinc/75/25/91/369752591.db2.gz FDRHANLVQQLDSW-HNNXBMFYSA-N 2 1 295.471 2.228 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000352527091 369773462 /nfs/dbraw/zinc/77/34/62/369773462.db2.gz WECBLWIWPXCSEM-CQSZACIVSA-N 2 1 258.369 2.266 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)c1ccnn1C)C[NH+]1CCCCC1 ZINC000192250365 369785745 /nfs/dbraw/zinc/78/57/45/369785745.db2.gz WIVLNHSTNLEVTR-KGLIPLIRSA-N 2 1 264.417 2.193 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCOC(C)(C)C2)s1 ZINC000352730866 369859459 /nfs/dbraw/zinc/85/94/59/369859459.db2.gz HETRJQOLKXKXMR-NSHDSACASA-N 2 1 283.441 2.252 20 0 CEADMP CC(C)[C@H]1C[C@H](C[NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000352732330 369859475 /nfs/dbraw/zinc/85/94/75/369859475.db2.gz ZCSIHGRYTOXODK-UKRRQHHQSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)OCCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352743884 369865297 /nfs/dbraw/zinc/86/52/97/369865297.db2.gz XQLSSAAWFLRLFY-UHFFFAOYSA-N 2 1 285.457 2.500 20 0 CEADMP C[C@H]1CC[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)O1 ZINC000353155697 370045568 /nfs/dbraw/zinc/04/55/68/370045568.db2.gz PLFJCHXVZYVURH-WQKZHXONSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@H]1CC[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)O1 ZINC000353155697 370045571 /nfs/dbraw/zinc/04/55/71/370045571.db2.gz PLFJCHXVZYVURH-WQKZHXONSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@H]1CC[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)O1 ZINC000353155697 370045573 /nfs/dbraw/zinc/04/55/73/370045573.db2.gz PLFJCHXVZYVURH-WQKZHXONSA-N 2 1 252.402 2.111 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000353156174 370044943 /nfs/dbraw/zinc/04/49/43/370044943.db2.gz RJCXUZNVPIIJRX-UHFFFAOYSA-N 2 1 297.406 2.147 20 0 CEADMP CC(C)c1[nH+]ccn1CC(=O)NCC1([NH3+])CCCCCC1 ZINC000637807891 370078836 /nfs/dbraw/zinc/07/88/36/370078836.db2.gz QGFGJENFUCLMAW-UHFFFAOYSA-N 2 1 292.427 2.174 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000637809114 370081072 /nfs/dbraw/zinc/08/10/72/370081072.db2.gz PWWPBFQTLRRPSZ-UHFFFAOYSA-N 2 1 277.412 2.322 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000353621294 370119997 /nfs/dbraw/zinc/11/99/97/370119997.db2.gz LRMCYDUCRHOQGN-QQFBHYJXSA-N 2 1 268.445 2.248 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000353970053 370157949 /nfs/dbraw/zinc/15/79/49/370157949.db2.gz BGXCTKIRYGIHOX-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000353970053 370157954 /nfs/dbraw/zinc/15/79/54/370157954.db2.gz BGXCTKIRYGIHOX-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000353970053 370157959 /nfs/dbraw/zinc/15/79/59/370157959.db2.gz BGXCTKIRYGIHOX-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@H+]1CCC[C@@H](CNCc2ccnn2C(C)C)C1 ZINC000354146239 370233473 /nfs/dbraw/zinc/23/34/73/370233473.db2.gz MUMCNGGMDZGHEQ-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C(C)C)C1 ZINC000354146239 370233478 /nfs/dbraw/zinc/23/34/78/370233478.db2.gz MUMCNGGMDZGHEQ-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C(C)C)C1 ZINC000354146239 370233480 /nfs/dbraw/zinc/23/34/80/370233480.db2.gz MUMCNGGMDZGHEQ-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cnn2ccccc12 ZINC000222007543 370247509 /nfs/dbraw/zinc/24/75/09/370247509.db2.gz VZHAENOKAYXPNH-UHFFFAOYSA-N 2 1 260.385 2.154 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cnn2ccccc12 ZINC000222007543 370247512 /nfs/dbraw/zinc/24/75/12/370247512.db2.gz VZHAENOKAYXPNH-UHFFFAOYSA-N 2 1 260.385 2.154 20 0 CEADMP COC[C@@H]1CC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000354059633 370198725 /nfs/dbraw/zinc/19/87/25/370198725.db2.gz UZCOGSCHUCHRRT-NSHDSACASA-N 2 1 263.366 2.155 20 0 CEADMP Cc1ccncc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000336508046 213383668 /nfs/dbraw/zinc/38/36/68/213383668.db2.gz AUABHYFWYIMXKY-UHFFFAOYSA-N 2 1 259.397 2.450 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CCC(C)(C)C(=O)OC ZINC000354328518 370317531 /nfs/dbraw/zinc/31/75/31/370317531.db2.gz JBGOQHKXFPSOMM-CQSZACIVSA-N 2 1 284.444 2.430 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CCC(C)(C)C(=O)OC ZINC000354328518 370317536 /nfs/dbraw/zinc/31/75/36/370317536.db2.gz JBGOQHKXFPSOMM-CQSZACIVSA-N 2 1 284.444 2.430 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000683361387 541796337 /nfs/dbraw/zinc/79/63/37/541796337.db2.gz MDEKCRAZCWKONQ-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@](C)(OC)C2CC2)C1 ZINC000638128282 370323443 /nfs/dbraw/zinc/32/34/43/370323443.db2.gz SDJDASRIHUIFNW-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@](C)(OC)C2CC2)C1 ZINC000638128282 370323447 /nfs/dbraw/zinc/32/34/47/370323447.db2.gz SDJDASRIHUIFNW-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@](C)(OC)C2CC2)C1 ZINC000638128282 370323451 /nfs/dbraw/zinc/32/34/51/370323451.db2.gz SDJDASRIHUIFNW-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638117304 370315592 /nfs/dbraw/zinc/31/55/92/370315592.db2.gz SXPZWWKPMRLJFI-GJZGRUSLSA-N 2 1 283.460 2.131 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000227067337 370356677 /nfs/dbraw/zinc/35/66/77/370356677.db2.gz IZZSPSNFRXXTRW-XJKSGUPXSA-N 2 1 278.396 2.133 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccn(C(F)F)c2=O)C1 ZINC000638135400 370329709 /nfs/dbraw/zinc/32/97/09/370329709.db2.gz UGTHTHBXXBOMIS-LBPRGKRZSA-N 2 1 299.365 2.017 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccn(C(F)F)c2=O)C1 ZINC000638135400 370329711 /nfs/dbraw/zinc/32/97/11/370329711.db2.gz UGTHTHBXXBOMIS-LBPRGKRZSA-N 2 1 299.365 2.017 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccn(C(F)F)c2=O)C1 ZINC000638135400 370329714 /nfs/dbraw/zinc/32/97/14/370329714.db2.gz UGTHTHBXXBOMIS-LBPRGKRZSA-N 2 1 299.365 2.017 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccn(C(F)F)c2=O)C1 ZINC000638135400 370329718 /nfs/dbraw/zinc/32/97/18/370329718.db2.gz UGTHTHBXXBOMIS-LBPRGKRZSA-N 2 1 299.365 2.017 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)C[C@H]21 ZINC000228472038 370403793 /nfs/dbraw/zinc/40/37/93/370403793.db2.gz UNNFBFVXWAGSKS-BRWVUGGUSA-N 2 1 286.419 2.223 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000638280399 370418615 /nfs/dbraw/zinc/41/86/15/370418615.db2.gz FFSUZORRGIHQEK-CABCVRRESA-N 2 1 295.471 2.288 20 0 CEADMP CC(C)[N@@H+](C)CCCNCc1cc(C2CC2)no1 ZINC000638337640 370454461 /nfs/dbraw/zinc/45/44/61/370454461.db2.gz JCFFOOBHLDGMOY-UHFFFAOYSA-N 2 1 251.374 2.372 20 0 CEADMP C[C@H](C[NH2+]C1CC(n2cccn2)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000638364241 370473358 /nfs/dbraw/zinc/47/33/58/370473358.db2.gz XZRJBVYBOJEAMC-QRNKSROTSA-N 2 1 276.428 2.297 20 0 CEADMP C[C@H](C[NH2+]C1CC(n2cccn2)C1)[N@H+]1CCC[C@H](C)C1 ZINC000638364241 370473366 /nfs/dbraw/zinc/47/33/66/370473366.db2.gz XZRJBVYBOJEAMC-QRNKSROTSA-N 2 1 276.428 2.297 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CCCc1cnn(C)c1 ZINC000638412741 370511570 /nfs/dbraw/zinc/51/15/70/370511570.db2.gz KXTMDNCWNNGTAC-HUUCEWRRSA-N 2 1 278.444 2.063 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CCCc1cnn(C)c1 ZINC000638412741 370511578 /nfs/dbraw/zinc/51/15/78/370511578.db2.gz KXTMDNCWNNGTAC-HUUCEWRRSA-N 2 1 278.444 2.063 20 0 CEADMP CC[N@H+]1CC[C@H](CNCc2nc3ccccc3o2)C1 ZINC000638382686 370487869 /nfs/dbraw/zinc/48/78/69/370487869.db2.gz YZOVISGVIFRVJI-GFCCVEGCSA-N 2 1 259.353 2.259 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]CC2CCSCC2)C1 ZINC000638450821 370539799 /nfs/dbraw/zinc/53/97/99/370539799.db2.gz INPIKQMGAZBGDO-CQSZACIVSA-N 2 1 256.459 2.451 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1CCCC ZINC000236813604 370633282 /nfs/dbraw/zinc/63/32/82/370633282.db2.gz ROAAWVMYYBKZLH-CABCVRRESA-N 2 1 283.460 2.275 20 0 CEADMP CCC[N@H+](CCCc1cnn(C)c1)CCC[NH+](C)C ZINC000639174802 371048615 /nfs/dbraw/zinc/04/86/15/371048615.db2.gz GYEMAIQYHVKHHT-UHFFFAOYSA-N 2 1 266.433 2.016 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@](C)(OC)C1CC1 ZINC000639175533 371049215 /nfs/dbraw/zinc/04/92/15/371049215.db2.gz QLAFDNSHEOGEAI-HNNXBMFYSA-N 2 1 256.434 2.465 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cscn2)[C@@H](C)C1 ZINC000246764268 371006414 /nfs/dbraw/zinc/00/64/14/371006414.db2.gz HUWVYQBSRHOCSV-AAEUAGOBSA-N 2 1 253.415 2.006 20 0 CEADMP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC[NH+]2CCC2)CC1 ZINC000358340962 371022715 /nfs/dbraw/zinc/02/27/15/371022715.db2.gz NEDYRGJMHQOJHH-DOTOQJQBSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000358359222 371032772 /nfs/dbraw/zinc/03/27/72/371032772.db2.gz SWHMCDHPSFXBPT-XJKSGUPXSA-N 2 1 289.423 2.443 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000358359222 371032777 /nfs/dbraw/zinc/03/27/77/371032777.db2.gz SWHMCDHPSFXBPT-XJKSGUPXSA-N 2 1 289.423 2.443 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCOC1 ZINC000246952502 371036252 /nfs/dbraw/zinc/03/62/52/371036252.db2.gz IEYFMTABWVFUMO-LXTVHRRPSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCOC1 ZINC000246952502 371036258 /nfs/dbraw/zinc/03/62/58/371036258.db2.gz IEYFMTABWVFUMO-LXTVHRRPSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000246952533 371036585 /nfs/dbraw/zinc/03/65/85/371036585.db2.gz IEYFMTABWVFUMO-QPSCCSFWSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000246952533 371036587 /nfs/dbraw/zinc/03/65/87/371036587.db2.gz IEYFMTABWVFUMO-QPSCCSFWSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccn(C(F)F)c1=O ZINC000639177442 371054614 /nfs/dbraw/zinc/05/46/14/371054614.db2.gz DHSUZAPSQMHTHO-DGCLKSJQSA-N 2 1 299.365 2.015 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccn(C(F)F)c1=O ZINC000639177442 371054618 /nfs/dbraw/zinc/05/46/18/371054618.db2.gz DHSUZAPSQMHTHO-DGCLKSJQSA-N 2 1 299.365 2.015 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccn(C(F)F)c1=O ZINC000639177442 371054623 /nfs/dbraw/zinc/05/46/23/371054623.db2.gz DHSUZAPSQMHTHO-DGCLKSJQSA-N 2 1 299.365 2.015 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccn(C(F)F)c1=O ZINC000639177442 371054627 /nfs/dbraw/zinc/05/46/27/371054627.db2.gz DHSUZAPSQMHTHO-DGCLKSJQSA-N 2 1 299.365 2.015 20 0 CEADMP CC[C@](C)(C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)OC ZINC000639207642 371096162 /nfs/dbraw/zinc/09/61/62/371096162.db2.gz JGFWYTPRIHCRAA-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CC[C@](C)(C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)OC ZINC000639207642 371096165 /nfs/dbraw/zinc/09/61/65/371096165.db2.gz JGFWYTPRIHCRAA-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CC[C@](C)(C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)OC ZINC000639207642 371096167 /nfs/dbraw/zinc/09/61/67/371096167.db2.gz JGFWYTPRIHCRAA-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP FC(F)C(F)(F)COCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000683693680 541844187 /nfs/dbraw/zinc/84/41/87/541844187.db2.gz AZHPQVMZABNIBH-MNOVXSKESA-N 2 1 298.324 2.120 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C12CCC2 ZINC000248139283 371163370 /nfs/dbraw/zinc/16/33/70/371163370.db2.gz PLIPFZVHKXTYIY-CBBWQLFWSA-N 2 1 266.429 2.406 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C12CCC2 ZINC000248139283 371163375 /nfs/dbraw/zinc/16/33/75/371163375.db2.gz PLIPFZVHKXTYIY-CBBWQLFWSA-N 2 1 266.429 2.406 20 0 CEADMP Cc1csc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000248127700 371164245 /nfs/dbraw/zinc/16/42/45/371164245.db2.gz OCTHFRRBXNOKTM-STQMWFEESA-N 2 1 265.426 2.368 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCCCCn3cccn3)CC[C@H]21 ZINC000248163623 371166334 /nfs/dbraw/zinc/16/63/34/371166334.db2.gz SNWWCFPUBDMBNU-DLBZAZTESA-N 2 1 290.455 2.470 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCCCCn3cccn3)CC[C@H]21 ZINC000248163623 371166341 /nfs/dbraw/zinc/16/63/41/371166341.db2.gz SNWWCFPUBDMBNU-DLBZAZTESA-N 2 1 290.455 2.470 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCCn3cccn3)CC[C@H]21 ZINC000248163623 371166344 /nfs/dbraw/zinc/16/63/44/371166344.db2.gz SNWWCFPUBDMBNU-DLBZAZTESA-N 2 1 290.455 2.470 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639287777 371190116 /nfs/dbraw/zinc/19/01/16/371190116.db2.gz AHGBWLDVEVKXAL-GJZGRUSLSA-N 2 1 283.460 2.001 20 0 CEADMP COCC1(C)CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000358738964 371198609 /nfs/dbraw/zinc/19/86/09/371198609.db2.gz AKMJJLPEJFPGDB-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000358749325 371203987 /nfs/dbraw/zinc/20/39/87/371203987.db2.gz KMMRKXAKDVYXQT-NFAWXSAZSA-N 2 1 276.428 2.260 20 0 CEADMP C(C1CCSCC1)[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000639301258 371205178 /nfs/dbraw/zinc/20/51/78/371205178.db2.gz CRRBQPZILDKGIJ-MRXNPFEDSA-N 2 1 298.496 2.316 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000248556813 371212233 /nfs/dbraw/zinc/21/22/33/371212233.db2.gz LEXLYFZFKQPUPR-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CCCC[C@@H](CNCc2cccn(C(F)F)c2=O)C1 ZINC000639348423 371260937 /nfs/dbraw/zinc/26/09/37/371260937.db2.gz XHJSQGNRQKPDOD-LBPRGKRZSA-N 2 1 299.365 2.065 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000639348423 371260943 /nfs/dbraw/zinc/26/09/43/371260943.db2.gz XHJSQGNRQKPDOD-LBPRGKRZSA-N 2 1 299.365 2.065 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000639348423 371260947 /nfs/dbraw/zinc/26/09/47/371260947.db2.gz XHJSQGNRQKPDOD-LBPRGKRZSA-N 2 1 299.365 2.065 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCOC[C@H]1C ZINC000248831365 371251134 /nfs/dbraw/zinc/25/11/34/371251134.db2.gz FHSOMOXRSNFPGS-DGADGQDISA-N 2 1 268.445 2.367 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCOC[C@H]1C ZINC000248831365 371251137 /nfs/dbraw/zinc/25/11/37/371251137.db2.gz FHSOMOXRSNFPGS-DGADGQDISA-N 2 1 268.445 2.367 20 0 CEADMP C[C@@H](C[C@H](O)c1ccco1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248825443 371251865 /nfs/dbraw/zinc/25/18/65/371251865.db2.gz GAFARXKOMHCLLA-MNFFZHCASA-N 2 1 278.396 2.306 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(CC)(CC)C(=O)OC)[C@H](C)C1 ZINC000248881296 371263082 /nfs/dbraw/zinc/26/30/82/371263082.db2.gz ONPNTBNXUIBVFX-ZIAGYGMSSA-N 2 1 284.444 2.286 20 0 CEADMP O=c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc[nH]1 ZINC000639498229 371364368 /nfs/dbraw/zinc/36/43/68/371364368.db2.gz RAWTTZGHUDTWCA-OAHLLOKOSA-N 2 1 275.396 2.095 20 0 CEADMP COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359100265 371337462 /nfs/dbraw/zinc/33/74/62/371337462.db2.gz ANJGCPWXQLKYOO-GOEBONIOSA-N 2 1 262.397 2.276 20 0 CEADMP COCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359100265 371337464 /nfs/dbraw/zinc/33/74/64/371337464.db2.gz ANJGCPWXQLKYOO-GOEBONIOSA-N 2 1 262.397 2.276 20 0 CEADMP C[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)C(F)(F)F ZINC000359106097 371339925 /nfs/dbraw/zinc/33/99/25/371339925.db2.gz NQFXGLPALSEZQL-VIFPVBQESA-N 2 1 261.291 2.436 20 0 CEADMP c1c[nH+]c([C@H]2CCCN(Cc3nc(CC4CC4)no3)C2)[nH]1 ZINC000639533408 371388564 /nfs/dbraw/zinc/38/85/64/371388564.db2.gz OKUKUMNKLBWTHC-LBPRGKRZSA-N 2 1 287.367 2.125 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250673154 371389964 /nfs/dbraw/zinc/38/99/64/371389964.db2.gz NPBNAQUBKGZSCD-FJBKBRRZSA-N 2 1 294.439 2.325 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C)n1 ZINC000359243709 371392388 /nfs/dbraw/zinc/39/23/88/371392388.db2.gz XDISSHWNPLKGML-UHFFFAOYSA-N 2 1 291.439 2.481 20 0 CEADMP Cc1cccnc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250991816 371395574 /nfs/dbraw/zinc/39/55/74/371395574.db2.gz PAXKMNMIZAEROC-RRFJBIMHSA-N 2 1 259.397 2.400 20 0 CEADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]2CCO[C@H]21 ZINC000251167074 371397637 /nfs/dbraw/zinc/39/76/37/371397637.db2.gz NYHLEMWAMJSIFK-KJWHEZOQSA-N 2 1 264.413 2.016 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CC(C)(C)CO1)CC2 ZINC000639558829 371406730 /nfs/dbraw/zinc/40/67/30/371406730.db2.gz LBRIYALAPDNLKU-CQSZACIVSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CC(C)(C)CO1)CC2 ZINC000639558829 371406732 /nfs/dbraw/zinc/40/67/32/371406732.db2.gz LBRIYALAPDNLKU-CQSZACIVSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000251714932 371414131 /nfs/dbraw/zinc/41/41/31/371414131.db2.gz JPOKQVSAHVBQFF-XJKSGUPXSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000251714932 371414135 /nfs/dbraw/zinc/41/41/35/371414135.db2.gz JPOKQVSAHVBQFF-XJKSGUPXSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC[N@@H+]1C ZINC000251740170 371415570 /nfs/dbraw/zinc/41/55/70/371415570.db2.gz CTAGHJMKELVVFL-KJWHEZOQSA-N 2 1 266.429 2.262 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC[N@H+]1C ZINC000251740170 371415573 /nfs/dbraw/zinc/41/55/73/371415573.db2.gz CTAGHJMKELVVFL-KJWHEZOQSA-N 2 1 266.429 2.262 20 0 CEADMP C[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)O1 ZINC000251806839 371417335 /nfs/dbraw/zinc/41/73/35/371417335.db2.gz MFHQBEJLYFMSHF-KBXIAJHMSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)O1 ZINC000251806839 371417343 /nfs/dbraw/zinc/41/73/43/371417343.db2.gz MFHQBEJLYFMSHF-KBXIAJHMSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+](CCCN[C@@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000249978778 371373242 /nfs/dbraw/zinc/37/32/42/371373242.db2.gz KHZJXEBYMHLYKW-GOEBONIOSA-N 2 1 267.461 2.358 20 0 CEADMP C[N@H+](CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000249978778 371373246 /nfs/dbraw/zinc/37/32/46/371373246.db2.gz KHZJXEBYMHLYKW-GOEBONIOSA-N 3 1 267.461 2.358 20 0 CEADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000249978778 371373248 /nfs/dbraw/zinc/37/32/48/371373248.db2.gz KHZJXEBYMHLYKW-GOEBONIOSA-N 3 1 267.461 2.358 20 0 CEADMP COC[C@@H](C)C[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000249962464 371373351 /nfs/dbraw/zinc/37/33/51/371373351.db2.gz WMSLNXKKLWIDEX-KBPBESRZSA-N 2 1 256.434 2.369 20 0 CEADMP COC[C@@H](C)C[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000249962464 371373354 /nfs/dbraw/zinc/37/33/54/371373354.db2.gz WMSLNXKKLWIDEX-KBPBESRZSA-N 2 1 256.434 2.369 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000359209785 371376340 /nfs/dbraw/zinc/37/63/40/371376340.db2.gz LGRINMLRSXYYDG-ZBFHGGJFSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000359209785 371376345 /nfs/dbraw/zinc/37/63/45/371376345.db2.gz LGRINMLRSXYYDG-ZBFHGGJFSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000359209785 371376349 /nfs/dbraw/zinc/37/63/49/371376349.db2.gz LGRINMLRSXYYDG-ZBFHGGJFSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000359209785 371376354 /nfs/dbraw/zinc/37/63/54/371376354.db2.gz LGRINMLRSXYYDG-ZBFHGGJFSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000359209785 371376358 /nfs/dbraw/zinc/37/63/58/371376358.db2.gz LGRINMLRSXYYDG-ZBFHGGJFSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000250384586 371383721 /nfs/dbraw/zinc/38/37/21/371383721.db2.gz XIDWZQWKLUKCOK-LTIDMASMSA-N 2 1 279.472 2.371 20 0 CEADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000250384586 371383724 /nfs/dbraw/zinc/38/37/24/371383724.db2.gz XIDWZQWKLUKCOK-LTIDMASMSA-N 2 1 279.472 2.371 20 0 CEADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000250474152 371384568 /nfs/dbraw/zinc/38/45/68/371384568.db2.gz SCMFAVILFIBSEB-LJISPDSOSA-N 2 1 252.402 2.160 20 0 CEADMP CO[C@H](C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000639682827 371492032 /nfs/dbraw/zinc/49/20/32/371492032.db2.gz AKJWOSADBMVAMY-MRXNPFEDSA-N 2 1 275.396 2.019 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1OC ZINC000252854986 371483814 /nfs/dbraw/zinc/48/38/14/371483814.db2.gz JYQBZALQLNYRGY-AEGPPILISA-N 2 1 290.407 2.263 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000639584643 371423656 /nfs/dbraw/zinc/42/36/56/371423656.db2.gz UDCVBCONOGBVNC-HNNXBMFYSA-N 2 1 256.353 2.099 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CS1 ZINC000252102882 371431985 /nfs/dbraw/zinc/43/19/85/371431985.db2.gz IOZXQVGYBJYUNH-FJCXZIGKSA-N 2 1 254.443 2.485 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CS1 ZINC000252102882 371431988 /nfs/dbraw/zinc/43/19/88/371431988.db2.gz IOZXQVGYBJYUNH-FJCXZIGKSA-N 2 1 254.443 2.485 20 0 CEADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416929 371436822 /nfs/dbraw/zinc/43/68/22/371436822.db2.gz PEZVXYYPXVKWOP-RRFJBIMHSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@H](C)[NH2+]CCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000252433039 371436908 /nfs/dbraw/zinc/43/69/08/371436908.db2.gz FTHZNGJUULQCOE-RDJZCZTQSA-N 2 1 275.440 2.363 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1cnccn1 ZINC000639613039 371442404 /nfs/dbraw/zinc/44/24/04/371442404.db2.gz PPMKCSBNWBGCFR-UHFFFAOYSA-N 2 1 287.411 2.190 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1cnccn1 ZINC000639613039 371442409 /nfs/dbraw/zinc/44/24/09/371442409.db2.gz PPMKCSBNWBGCFR-UHFFFAOYSA-N 2 1 287.411 2.190 20 0 CEADMP Cc1ncsc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252513511 371452147 /nfs/dbraw/zinc/45/21/47/371452147.db2.gz VCGGXLRKCOPXCN-NEPJUHHUSA-N 2 1 251.399 2.168 20 0 CEADMP Cc1ncsc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252513511 371452151 /nfs/dbraw/zinc/45/21/51/371452151.db2.gz VCGGXLRKCOPXCN-NEPJUHHUSA-N 2 1 251.399 2.168 20 0 CEADMP C[C@H](CCc1ccco1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252564539 371457233 /nfs/dbraw/zinc/45/72/33/371457233.db2.gz YBLSLCQQGYAAIW-YCPHGPKFSA-N 2 1 278.396 2.054 20 0 CEADMP C[C@H](CCc1ccco1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252564539 371457236 /nfs/dbraw/zinc/45/72/36/371457236.db2.gz YBLSLCQQGYAAIW-YCPHGPKFSA-N 2 1 278.396 2.054 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000252656873 371462365 /nfs/dbraw/zinc/46/23/65/371462365.db2.gz WJEFYUMERUMFPB-IRXDYDNUSA-N 2 1 279.472 2.279 20 0 CEADMP CCCCOCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703351 371470741 /nfs/dbraw/zinc/47/07/41/371470741.db2.gz ZOIPMKAWNFRJGP-CABCVRRESA-N 2 1 254.418 2.410 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc(OC)cc3C2)C1 ZINC000252704713 371471563 /nfs/dbraw/zinc/47/15/63/371471563.db2.gz OCIZZMHUHFZTBW-YOEHRIQHSA-N 2 1 288.435 2.484 20 0 CEADMP Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000252840430 371481465 /nfs/dbraw/zinc/48/14/65/371481465.db2.gz BOVPSFNCBZFVNQ-WCFLWFBJSA-N 2 1 251.399 2.011 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253200962 371501241 /nfs/dbraw/zinc/50/12/41/371501241.db2.gz XJVKNXVIQSOVIW-OWCLPIDISA-N 2 1 297.487 2.234 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253200962 371501247 /nfs/dbraw/zinc/50/12/47/371501247.db2.gz XJVKNXVIQSOVIW-OWCLPIDISA-N 2 1 297.487 2.234 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000360948751 371556155 /nfs/dbraw/zinc/55/61/55/371556155.db2.gz VUXWLPSUECGSGZ-IAQYHMDHSA-N 2 1 268.351 2.437 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000253367063 371509888 /nfs/dbraw/zinc/50/98/88/371509888.db2.gz UBXMFHGXYJPVIR-VNQPRFMTSA-N 2 1 292.398 2.210 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000253367063 371509894 /nfs/dbraw/zinc/50/98/94/371509894.db2.gz UBXMFHGXYJPVIR-VNQPRFMTSA-N 2 1 292.398 2.210 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360951110 371557944 /nfs/dbraw/zinc/55/79/44/371557944.db2.gz KJYIKCJFWXKFSG-NSHDSACASA-N 2 1 286.370 2.179 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360951110 371557947 /nfs/dbraw/zinc/55/79/47/371557947.db2.gz KJYIKCJFWXKFSG-NSHDSACASA-N 2 1 286.370 2.179 20 0 CEADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)ccn1 ZINC000639757404 371546472 /nfs/dbraw/zinc/54/64/72/371546472.db2.gz LBIWMPGUJGLOEZ-UHFFFAOYSA-N 2 1 275.396 2.008 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@H]3CCC(C)(C)O3)C2)CC1 ZINC000639756242 371546506 /nfs/dbraw/zinc/54/65/06/371546506.db2.gz SIQNDKDCJNPMRK-CQSZACIVSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000261612638 371680248 /nfs/dbraw/zinc/68/02/48/371680248.db2.gz BJMYVPXFGMKLAR-MRXNPFEDSA-N 2 1 270.380 2.247 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000261612638 371680252 /nfs/dbraw/zinc/68/02/52/371680252.db2.gz BJMYVPXFGMKLAR-MRXNPFEDSA-N 2 1 270.380 2.247 20 0 CEADMP CC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000683770258 541856655 /nfs/dbraw/zinc/85/66/55/541856655.db2.gz QTLCFMHYZJUDKT-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)OCC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984204 371712600 /nfs/dbraw/zinc/71/26/00/371712600.db2.gz SPFPOMIYKOJCTQ-MRXNPFEDSA-N 2 1 298.471 2.113 20 0 CEADMP CC[C@@H](O)C[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639985956 371714484 /nfs/dbraw/zinc/71/44/84/371714484.db2.gz GKOPEEOOZJHHII-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261738718 371715501 /nfs/dbraw/zinc/71/55/01/371715501.db2.gz LULYSSWQPONWRT-INIZCTEOSA-N 2 1 278.396 2.135 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC(CCF)CC1 ZINC000639989396 371717789 /nfs/dbraw/zinc/71/77/89/371717789.db2.gz DBPUBJNZZCIEMV-UHFFFAOYSA-N 2 1 253.365 2.424 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(-c2ccccc2)n1 ZINC000261765310 371723460 /nfs/dbraw/zinc/72/34/60/371723460.db2.gz RNZUAGAHNVHMSZ-QGZVFWFLSA-N 2 1 284.407 2.258 20 0 CEADMP c1cnc2c(c1)cccc2C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261785325 371732856 /nfs/dbraw/zinc/73/28/56/371732856.db2.gz PYGYQDAOCUMWNM-GOEBONIOSA-N 2 1 267.376 2.419 20 0 CEADMP CCC1([NH+](C)C)CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000640016312 371736347 /nfs/dbraw/zinc/73/63/47/371736347.db2.gz XYWCJNLUIOMHIM-ZDUSSCGKSA-N 2 1 254.418 2.360 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](CCc2cccnc2)CC1 ZINC000640016203 371736854 /nfs/dbraw/zinc/73/68/54/371736854.db2.gz VWBYYZNEDYVFAC-UHFFFAOYSA-N 2 1 261.413 2.430 20 0 CEADMP CCOc1ccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261649921 371692734 /nfs/dbraw/zinc/69/27/34/371692734.db2.gz JOPWSELYKYKCKA-HUUCEWRRSA-N 2 1 290.407 2.005 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261649921 371692735 /nfs/dbraw/zinc/69/27/35/371692735.db2.gz JOPWSELYKYKCKA-HUUCEWRRSA-N 2 1 290.407 2.005 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261657562 371694369 /nfs/dbraw/zinc/69/43/69/371694369.db2.gz DUOTXWDKHUBXKG-HIFRSBDPSA-N 2 1 283.460 2.131 20 0 CEADMP c1ccc2nc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000261836926 371747273 /nfs/dbraw/zinc/74/72/73/371747273.db2.gz VIGJTRXDCLXSCO-QGZVFWFLSA-N 2 1 267.376 2.420 20 0 CEADMP c1ccc2nc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000261836926 371747281 /nfs/dbraw/zinc/74/72/81/371747281.db2.gz VIGJTRXDCLXSCO-QGZVFWFLSA-N 2 1 267.376 2.420 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCO[C@H]2CCCCO2)C1 ZINC000361267078 371750938 /nfs/dbraw/zinc/75/09/38/371750938.db2.gz QHQMIRUXXFMOFK-HOTGVXAUSA-N 2 1 284.444 2.193 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCO[C@H]2CCCCO2)C1 ZINC000361267078 371750941 /nfs/dbraw/zinc/75/09/41/371750941.db2.gz QHQMIRUXXFMOFK-HOTGVXAUSA-N 2 1 284.444 2.193 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCO[C@H]2CCCCO2)C1 ZINC000361267078 371750943 /nfs/dbraw/zinc/75/09/43/371750943.db2.gz QHQMIRUXXFMOFK-HOTGVXAUSA-N 2 1 284.444 2.193 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000353328846 220029443 /nfs/dbraw/zinc/02/94/43/220029443.db2.gz QMMPTSCMEMSFSL-GDBMZVCRSA-N 2 1 295.471 2.286 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261992862 371791841 /nfs/dbraw/zinc/79/18/41/371791841.db2.gz KLCBVQXFSBLVGH-KRWDZBQOSA-N 2 1 290.455 2.440 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261992862 371791844 /nfs/dbraw/zinc/79/18/44/371791844.db2.gz KLCBVQXFSBLVGH-KRWDZBQOSA-N 2 1 290.455 2.440 20 0 CEADMP FC(F)Oc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261874994 371756635 /nfs/dbraw/zinc/75/66/35/371756635.db2.gz ZMNDNAJKVUUYTI-HNNXBMFYSA-N 2 1 282.334 2.473 20 0 CEADMP FC(F)Oc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261874994 371756639 /nfs/dbraw/zinc/75/66/39/371756639.db2.gz ZMNDNAJKVUUYTI-HNNXBMFYSA-N 2 1 282.334 2.473 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000361346850 371798759 /nfs/dbraw/zinc/79/87/59/371798759.db2.gz RCEJHGJPYDQHMC-GJZGRUSLSA-N 2 1 254.418 2.002 20 0 CEADMP COc1ccccc1/C=C/C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262016581 371801532 /nfs/dbraw/zinc/80/15/32/371801532.db2.gz MUWFXTWZWHXAJH-UKINESCASA-N 2 1 272.392 2.394 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262016581 371801544 /nfs/dbraw/zinc/80/15/44/371801544.db2.gz MUWFXTWZWHXAJH-UKINESCASA-N 2 1 272.392 2.394 20 0 CEADMP c1ccc2c(c1)cccc2C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262391909 371857782 /nfs/dbraw/zinc/85/77/82/371857782.db2.gz BIKDWAOCNMPOHY-SFHVURJKSA-N 2 1 295.430 2.319 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000262193281 371836024 /nfs/dbraw/zinc/83/60/24/371836024.db2.gz YZZLYXRWTBZXFJ-GJZGRUSLSA-N 2 1 262.397 2.351 20 0 CEADMP CC(C)[C@H]1CN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC[N@H+]1C ZINC000640141097 371840384 /nfs/dbraw/zinc/84/03/84/371840384.db2.gz WVJCDRAFZSUVQJ-YESZJQIVSA-N 2 1 281.488 2.236 20 0 CEADMP CO[C@H](C[N@@H+](C)CCCC[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000640534282 372023573 /nfs/dbraw/zinc/02/35/73/372023573.db2.gz PDACDAXAYMNNFA-IAGOWNOFSA-N 2 1 298.471 2.236 20 0 CEADMP CC[C@@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1C)[NH+](CC)CC ZINC000266812193 372052234 /nfs/dbraw/zinc/05/22/34/372052234.db2.gz HOSORPKJDDFXTQ-ZFWWWQNUSA-N 2 1 294.443 2.064 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361771472 372064586 /nfs/dbraw/zinc/06/45/86/372064586.db2.gz KVPWLXBKCLEHCO-OIISXLGYSA-N 2 1 276.424 2.316 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361771472 372064595 /nfs/dbraw/zinc/06/45/95/372064595.db2.gz KVPWLXBKCLEHCO-OIISXLGYSA-N 2 1 276.424 2.316 20 0 CEADMP COc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000268786169 372222367 /nfs/dbraw/zinc/22/23/67/372222367.db2.gz ZYYDSKGBLWESBN-WRFANHODSA-N 2 1 292.423 2.047 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2ccnc(N3CCCC3)c2)CC1 ZINC000268787789 372222510 /nfs/dbraw/zinc/22/25/10/372222510.db2.gz WLIFYBVJJMUZIJ-UHFFFAOYSA-N 2 1 288.439 2.256 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCO)cc1 ZINC000268717230 372192270 /nfs/dbraw/zinc/19/22/70/372192270.db2.gz NEEDJUNWQUGXTG-LBPRGKRZSA-N 2 1 259.353 2.214 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCO)cc1F ZINC000362288077 372298616 /nfs/dbraw/zinc/29/86/16/372298616.db2.gz PYFBAFWOUMJGKX-LLVKDONJSA-N 2 1 277.343 2.353 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000268828293 372243352 /nfs/dbraw/zinc/24/33/52/372243352.db2.gz RISLJSFBLYUQFT-LLVKDONJSA-N 2 1 273.336 2.271 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cncs1 ZINC000268851937 372255473 /nfs/dbraw/zinc/25/54/73/372255473.db2.gz KOWVSVIEOHNCFC-JTQLQIEISA-N 2 1 250.371 2.389 20 0 CEADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000344301838 217141848 /nfs/dbraw/zinc/14/18/48/217141848.db2.gz YLMMDBPEOPTEGD-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641716434 372652720 /nfs/dbraw/zinc/65/27/20/372652720.db2.gz JNOCIHUTSOGSNH-NSHDSACASA-N 2 1 299.378 2.199 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cccc(C)c1C ZINC000641773685 372717430 /nfs/dbraw/zinc/71/74/30/372717430.db2.gz ZGLNTUIJQCIJMU-QGZVFWFLSA-N 2 1 278.440 2.486 20 0 CEADMP C(C[NH+]1CCCC1)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000364333878 372730004 /nfs/dbraw/zinc/73/00/04/372730004.db2.gz DMFOFBDMCLSADZ-UHFFFAOYSA-N 2 1 266.429 2.365 20 0 CEADMP CSc1ccc(NC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641807858 372754172 /nfs/dbraw/zinc/75/41/72/372754172.db2.gz SJFSPYAUASLYES-CHWSQXEVSA-N 2 1 293.436 2.062 20 0 CEADMP Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641807940 372754773 /nfs/dbraw/zinc/75/47/73/372754773.db2.gz VYDPPECHWLEPQV-CHWSQXEVSA-N 2 1 295.814 2.302 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c(C)c1 ZINC000641807121 372755152 /nfs/dbraw/zinc/75/51/52/372755152.db2.gz QRWMEZUBCLLKSX-CFVMTHIKSA-N 2 1 289.423 2.346 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000641798062 372737599 /nfs/dbraw/zinc/73/75/99/372737599.db2.gz GXHOBDBZFTZGSD-KBPBESRZSA-N 2 1 277.412 2.367 20 0 CEADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)o1 ZINC000641797420 372737766 /nfs/dbraw/zinc/73/77/66/372737766.db2.gz BQUJOPYFKCTUNL-VXGBXAGGSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)o1 ZINC000641797420 372737772 /nfs/dbraw/zinc/73/77/72/372737772.db2.gz BQUJOPYFKCTUNL-VXGBXAGGSA-N 2 1 251.374 2.105 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCCn2ccnc2C)C1 ZINC000162098355 284347145 /nfs/dbraw/zinc/34/71/45/284347145.db2.gz QUQKYJBHRWSRTM-INIZCTEOSA-N 2 1 278.444 2.245 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCCn2ccnc2C)C1 ZINC000162098355 284347146 /nfs/dbraw/zinc/34/71/46/284347146.db2.gz QUQKYJBHRWSRTM-INIZCTEOSA-N 2 1 278.444 2.245 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCCn2ccnc2C)C1 ZINC000162098355 284347151 /nfs/dbraw/zinc/34/71/51/284347151.db2.gz QUQKYJBHRWSRTM-INIZCTEOSA-N 2 1 278.444 2.245 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCCCn2cc[nH+]c2C)C1 ZINC000162098355 284347155 /nfs/dbraw/zinc/34/71/55/284347155.db2.gz QUQKYJBHRWSRTM-INIZCTEOSA-N 3 1 278.444 2.245 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCCn2cc[nH+]c2C)C1 ZINC000162098355 284347160 /nfs/dbraw/zinc/34/71/60/284347160.db2.gz QUQKYJBHRWSRTM-INIZCTEOSA-N 3 1 278.444 2.245 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000162098355 284347162 /nfs/dbraw/zinc/34/71/62/284347162.db2.gz QUQKYJBHRWSRTM-INIZCTEOSA-N 3 1 278.444 2.245 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000162098355 284347166 /nfs/dbraw/zinc/34/71/66/284347166.db2.gz QUQKYJBHRWSRTM-INIZCTEOSA-N 3 1 278.444 2.245 20 0 CEADMP COCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000344628270 217254899 /nfs/dbraw/zinc/25/48/99/217254899.db2.gz MOMZDKQHLFEWNL-GDBMZVCRSA-N 2 1 292.423 2.284 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000353473142 220103570 /nfs/dbraw/zinc/10/35/70/220103570.db2.gz UMCPSEPRSXVVQZ-JYJNAYRXSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1cn2c(n1)[C@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000365740818 372923223 /nfs/dbraw/zinc/92/32/23/372923223.db2.gz YCVUQSWHALIUSL-HNSVSWJLSA-N 3 1 288.439 2.284 20 0 CEADMP CC(C)[NH+](CCCN[C@@H]1C[N@@H+](C)C[C@@H]1C)C(C)C ZINC000344713104 217286007 /nfs/dbraw/zinc/28/60/07/217286007.db2.gz PTXRLIXAEXAYSC-LSDHHAIUSA-N 2 1 255.450 2.035 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000353501244 220120589 /nfs/dbraw/zinc/12/05/89/220120589.db2.gz LUWVIRRQDPYNGI-NVXWUHKLSA-N 2 1 295.471 2.004 20 0 CEADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353515907 220130920 /nfs/dbraw/zinc/13/09/20/220130920.db2.gz IIVLDIFFNAZVOS-KLHDSHLOSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](CCO)c1ccccc1 ZINC000270834844 372974282 /nfs/dbraw/zinc/97/42/82/372974282.db2.gz DUEBLQAIFPJBLU-MRXNPFEDSA-N 2 1 273.380 2.247 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000270834844 372974288 /nfs/dbraw/zinc/97/42/88/372974288.db2.gz DUEBLQAIFPJBLU-MRXNPFEDSA-N 2 1 273.380 2.247 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000353517347 220133243 /nfs/dbraw/zinc/13/32/43/220133243.db2.gz KIXNJNVAOWUITL-ZJPYXAASSA-N 2 1 288.435 2.225 20 0 CEADMP COc1ncccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353552120 220153055 /nfs/dbraw/zinc/15/30/55/220153055.db2.gz XERURUYUMOJOCB-OAGGEKHMSA-N 2 1 289.423 2.095 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@H+](C)CC2(C)C)c1C ZINC000271068382 373103323 /nfs/dbraw/zinc/10/33/23/373103323.db2.gz VBGUXYYLEYIUHP-UHFFFAOYSA-N 2 1 277.412 2.233 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)CC2(C)C)c1C ZINC000271068382 373103330 /nfs/dbraw/zinc/10/33/30/373103330.db2.gz VBGUXYYLEYIUHP-UHFFFAOYSA-N 2 1 277.412 2.233 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1COc2ccccc2O1 ZINC000643455742 373125236 /nfs/dbraw/zinc/12/52/36/373125236.db2.gz LKGXLTHBDWFPQD-BFHYXJOUSA-N 2 1 276.380 2.076 20 0 CEADMP C[C@H]1CCC[N@H+]1C1CCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000367014494 373132034 /nfs/dbraw/zinc/13/20/34/373132034.db2.gz WDGLDKLPQUQEFS-JKSUJKDBSA-N 2 1 279.472 2.419 20 0 CEADMP C[C@H]1CCC[NH+]1C1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000367014494 373132037 /nfs/dbraw/zinc/13/20/37/373132037.db2.gz WDGLDKLPQUQEFS-JKSUJKDBSA-N 2 1 279.472 2.419 20 0 CEADMP C[C@H]1CCC[NH+]1C1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000367014494 373132042 /nfs/dbraw/zinc/13/20/42/373132042.db2.gz WDGLDKLPQUQEFS-JKSUJKDBSA-N 2 1 279.472 2.419 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000643466359 373134896 /nfs/dbraw/zinc/13/48/96/373134896.db2.gz MHOZFCDZFNILPA-CHWSQXEVSA-N 2 1 296.798 2.471 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cnn(C)c1 ZINC000643546621 373204317 /nfs/dbraw/zinc/20/43/17/373204317.db2.gz RVHWEBNDAIZCQY-KBPBESRZSA-N 2 1 262.401 2.136 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000344943246 217362894 /nfs/dbraw/zinc/36/28/94/217362894.db2.gz GKRQIUJRLBHHSN-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000369184298 373354356 /nfs/dbraw/zinc/35/43/56/373354356.db2.gz PWPWNKLHRUKLOT-IAGOWNOFSA-N 2 1 274.408 2.277 20 0 CEADMP C[C@H](CCO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272453568 373492366 /nfs/dbraw/zinc/49/23/66/373492366.db2.gz GLDMZGZULRTWIK-VYDXJSESSA-N 2 1 276.424 2.258 20 0 CEADMP C[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000644513464 373503796 /nfs/dbraw/zinc/50/37/96/373503796.db2.gz KGEWEZFWZFQZNP-UHFFFAOYSA-N 2 1 295.814 2.352 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000644664853 373593677 /nfs/dbraw/zinc/59/36/77/373593677.db2.gz FZTKXPHAZBKUCG-HIFRSBDPSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCCC(C)(C)C1)C1CC1 ZINC000644664853 373593683 /nfs/dbraw/zinc/59/36/83/373593683.db2.gz FZTKXPHAZBKUCG-HIFRSBDPSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000644569819 373537599 /nfs/dbraw/zinc/53/75/99/373537599.db2.gz CCFZOTQXHUPRAX-KGLIPLIRSA-N 2 1 262.397 2.182 20 0 CEADMP C[C@H](NCCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272586209 373565572 /nfs/dbraw/zinc/56/55/72/373565572.db2.gz WUFBWTMLDWPKNK-FUHWJXTLSA-N 2 1 289.467 2.438 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272586209 373565579 /nfs/dbraw/zinc/56/55/79/373565579.db2.gz WUFBWTMLDWPKNK-FUHWJXTLSA-N 3 1 289.467 2.438 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272586209 373565586 /nfs/dbraw/zinc/56/55/86/373565586.db2.gz WUFBWTMLDWPKNK-FUHWJXTLSA-N 3 1 289.467 2.438 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000644669304 373597927 /nfs/dbraw/zinc/59/79/27/373597927.db2.gz VWZLATQTSUQZTI-ROUUACIJSA-N 2 1 290.451 2.302 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](CCO)Cc1ccc(C)cc1 ZINC000272797404 373661492 /nfs/dbraw/zinc/66/14/92/373661492.db2.gz BSSXGWOPDVZUGP-UHFFFAOYSA-N 2 1 287.407 2.385 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)Cc1ccc(C)cc1 ZINC000272797404 373661496 /nfs/dbraw/zinc/66/14/96/373661496.db2.gz BSSXGWOPDVZUGP-UHFFFAOYSA-N 2 1 287.407 2.385 20 0 CEADMP C[C@H]1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000370526287 373676558 /nfs/dbraw/zinc/67/65/58/373676558.db2.gz CUTHPQIUPYWJSG-BLNMRFBMSA-N 2 1 266.429 2.406 20 0 CEADMP Cc1cnc(C[N@H+]2CCC[C@H](c3nccn3C)C2)o1 ZINC000370723545 373726633 /nfs/dbraw/zinc/72/66/33/373726633.db2.gz HLUXMHNJUMIQBC-LBPRGKRZSA-N 2 1 260.341 2.096 20 0 CEADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289548827 197399539 /nfs/dbraw/zinc/39/95/39/197399539.db2.gz DBXKAIYPGKZTEM-SJORKVTESA-N 2 1 276.424 2.428 20 0 CEADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289548827 197399541 /nfs/dbraw/zinc/39/95/41/197399541.db2.gz DBXKAIYPGKZTEM-SJORKVTESA-N 2 1 276.424 2.428 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(n2cccn2)CC1 ZINC000371203609 373811174 /nfs/dbraw/zinc/81/11/74/373811174.db2.gz CAGKXYHERUFOTO-CQSZACIVSA-N 2 1 262.401 2.004 20 0 CEADMP CCC[C@@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)[NH+](C)C ZINC000371307857 373836974 /nfs/dbraw/zinc/83/69/74/373836974.db2.gz ISKAIDZPUZXLFD-ZBFHGGJFSA-N 2 1 295.471 2.192 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cncc(Br)c2)CC1 ZINC000274260126 373856852 /nfs/dbraw/zinc/85/68/52/373856852.db2.gz MVWBFAPFTQTRDL-UHFFFAOYSA-N 2 1 296.212 2.196 20 0 CEADMP Cn1cc(-c2cccc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)c2)cn1 ZINC000371403601 373870127 /nfs/dbraw/zinc/87/01/27/373870127.db2.gz VKEZDFUBQXZTJO-MRXNPFEDSA-N 2 1 298.434 2.471 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2Cc3ccccc3O2)CC[N@@H+]1C ZINC000372017412 374023693 /nfs/dbraw/zinc/02/36/93/374023693.db2.gz NZVUFIHGNNNQIK-KBMXLJTQSA-N 2 1 274.408 2.405 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2Cc3ccccc3O2)CC[N@H+]1C ZINC000372017412 374023699 /nfs/dbraw/zinc/02/36/99/374023699.db2.gz NZVUFIHGNNNQIK-KBMXLJTQSA-N 2 1 274.408 2.405 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2Cc3ccccc3O2)CC[NH+]1C ZINC000372017412 374023705 /nfs/dbraw/zinc/02/37/05/374023705.db2.gz NZVUFIHGNNNQIK-KBMXLJTQSA-N 2 1 274.408 2.405 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2Cc3ccccc3O2)CC[NH+]1C ZINC000372017412 374023713 /nfs/dbraw/zinc/02/37/13/374023713.db2.gz NZVUFIHGNNNQIK-KBMXLJTQSA-N 2 1 274.408 2.405 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)O1 ZINC000372351150 374105045 /nfs/dbraw/zinc/10/50/45/374105045.db2.gz ZDYOECPTRPXLAH-WCVJEAGWSA-N 2 1 278.440 2.360 20 0 CEADMP CC1(C)CC[C@H](C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)O1 ZINC000372351150 374105051 /nfs/dbraw/zinc/10/50/51/374105051.db2.gz ZDYOECPTRPXLAH-WCVJEAGWSA-N 2 1 278.440 2.360 20 0 CEADMP CC1(C)CC[C@H](C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)O1 ZINC000372351150 374105055 /nfs/dbraw/zinc/10/50/55/374105055.db2.gz ZDYOECPTRPXLAH-WCVJEAGWSA-N 2 1 278.440 2.360 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000645560941 374108859 /nfs/dbraw/zinc/10/88/59/374108859.db2.gz IJMYHXHPOBEWFM-VBNZEHGJSA-N 2 1 287.407 2.063 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000372498410 374143952 /nfs/dbraw/zinc/14/39/52/374143952.db2.gz VRNJKXQRXROSAJ-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP COc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000275253773 374197743 /nfs/dbraw/zinc/19/77/43/374197743.db2.gz IXJPRVLXHJMPGW-DZGCQCFKSA-N 2 1 292.423 2.476 20 0 CEADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000275253773 374197759 /nfs/dbraw/zinc/19/77/59/374197759.db2.gz IXJPRVLXHJMPGW-DZGCQCFKSA-N 2 1 292.423 2.476 20 0 CEADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000275253773 374197766 /nfs/dbraw/zinc/19/77/66/374197766.db2.gz IXJPRVLXHJMPGW-DZGCQCFKSA-N 2 1 292.423 2.476 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2c(c1)OCCO2 ZINC000276619733 374238832 /nfs/dbraw/zinc/23/88/32/374238832.db2.gz HTCWDFLNBNJMEG-GFCCVEGCSA-N 2 1 287.363 2.085 20 0 CEADMP COc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1O ZINC000373024218 374245407 /nfs/dbraw/zinc/24/54/07/374245407.db2.gz MMGGDFGLNQUPPM-AWEZNQCLSA-N 2 1 278.396 2.317 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1O ZINC000373024218 374245411 /nfs/dbraw/zinc/24/54/11/374245411.db2.gz MMGGDFGLNQUPPM-AWEZNQCLSA-N 2 1 278.396 2.317 20 0 CEADMP CC[NH+](CC)CCC[N@H+](C)[C@H](CO)c1ccccc1 ZINC000276864892 374328552 /nfs/dbraw/zinc/32/85/52/374328552.db2.gz GYLOAISQPQZWOO-MRXNPFEDSA-N 2 1 264.413 2.384 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000276864892 374328557 /nfs/dbraw/zinc/32/85/57/374328557.db2.gz GYLOAISQPQZWOO-MRXNPFEDSA-N 2 1 264.413 2.384 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645963906 374315448 /nfs/dbraw/zinc/31/54/48/374315448.db2.gz CWUWKDDZSANASC-KGLIPLIRSA-N 2 1 295.471 2.001 20 0 CEADMP CCn1cc(CC[N@H+]2[C@@H]3CC[C@H]2CN(CC)CC3)cn1 ZINC000373745594 374413613 /nfs/dbraw/zinc/41/36/13/374413613.db2.gz KESSQFKJHCWSOE-CVEARBPZSA-N 2 1 276.428 2.004 20 0 CEADMP C[NH+](C)C(C)(C)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000277175382 374427618 /nfs/dbraw/zinc/42/76/18/374427618.db2.gz UXSQFOOVCASXRF-UHFFFAOYSA-N 2 1 263.389 2.051 20 0 CEADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CCCC13CCOCC3)C2 ZINC000376740564 374724638 /nfs/dbraw/zinc/72/46/38/374724638.db2.gz WLWAIQWHUXKLHS-HUUCEWRRSA-N 2 1 289.423 2.384 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000278417578 374810486 /nfs/dbraw/zinc/81/04/86/374810486.db2.gz IGDWRRHCLSLLSQ-WTTBNOFXSA-N 2 1 276.424 2.347 20 0 CEADMP CCOc1ccc(C[N@@H+](C)CCC[NH3+])cc1OCC ZINC000382080613 375182733 /nfs/dbraw/zinc/18/27/33/375182733.db2.gz OICRMJOFZSDWCJ-UHFFFAOYSA-N 2 1 266.385 2.265 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000380316513 375162052 /nfs/dbraw/zinc/16/20/52/375162052.db2.gz JGPGCWHSKJSDJO-MLGOLLRUSA-N 2 1 275.396 2.062 20 0 CEADMP CC(C)COCC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000381320760 375172973 /nfs/dbraw/zinc/17/29/73/375172973.db2.gz STDMGVRKNUIXIO-SJORKVTESA-N 2 1 276.424 2.333 20 0 CEADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000382875438 375194261 /nfs/dbraw/zinc/19/42/61/375194261.db2.gz KFYLKAQMRSVJQR-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP C[N@@H+](CCOCc1ccccc1)CC[C@@H]1CC[NH2+]C1 ZINC000384163459 375207956 /nfs/dbraw/zinc/20/79/56/375207956.db2.gz JPQCEYBBUPDVMJ-HNNXBMFYSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@H](NCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000386579436 375262859 /nfs/dbraw/zinc/26/28/59/375262859.db2.gz OEKBXXRSNMUARU-OWCLPIDISA-N 2 1 267.461 2.371 20 0 CEADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000386701777 375266266 /nfs/dbraw/zinc/26/62/66/375266266.db2.gz NPOXULPSFVGMNY-HZPDHXFCSA-N 2 1 298.471 2.018 20 0 CEADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000386701777 375266273 /nfs/dbraw/zinc/26/62/73/375266273.db2.gz NPOXULPSFVGMNY-HZPDHXFCSA-N 2 1 298.471 2.018 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000412406892 375549577 /nfs/dbraw/zinc/54/95/77/375549577.db2.gz BXJZILNCYQSTNS-LSDHHAIUSA-N 2 1 283.460 2.094 20 0 CEADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000414280796 375819236 /nfs/dbraw/zinc/81/92/36/375819236.db2.gz ADGPISHXOYQBFS-BHYGNILZSA-N 2 1 292.398 2.118 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@@H+](C)C2CC([NH3+])C2)cc1F ZINC000414766615 375957344 /nfs/dbraw/zinc/95/73/44/375957344.db2.gz FAFZIUYXJGUYLX-LMWSTFAQSA-N 2 1 280.387 2.434 20 0 CEADMP C[N@@H+](CCSCc1ccccc1)C1CC([NH3+])C1 ZINC000414782150 375965071 /nfs/dbraw/zinc/96/50/71/375965071.db2.gz XBQCTJNDDUIBAL-UHFFFAOYSA-N 2 1 250.411 2.341 20 0 CEADMP CC(C)N(CC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000414715569 375937057 /nfs/dbraw/zinc/93/70/57/375937057.db2.gz RCVQRLBTTRUUDL-CVEARBPZSA-N 2 1 269.477 2.425 20 0 CEADMP CC(C)N(CC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000414715569 375937061 /nfs/dbraw/zinc/93/70/61/375937061.db2.gz RCVQRLBTTRUUDL-CVEARBPZSA-N 2 1 269.477 2.425 20 0 CEADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000414717239 375938960 /nfs/dbraw/zinc/93/89/60/375938960.db2.gz XXWOELNQMOLALC-TWMKSMIVSA-N 3 1 279.472 2.322 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000414748504 375949660 /nfs/dbraw/zinc/94/96/60/375949660.db2.gz UROIGVVLYPCRIY-HNNXBMFYSA-N 2 1 267.461 2.038 20 0 CEADMP Cc1ccc2cc(C[NH2+][C@@H](C[NH3+])C3CC3)ccc2n1 ZINC000414806718 375993127 /nfs/dbraw/zinc/99/31/27/375993127.db2.gz NBQSXQLTCRHGIP-INIZCTEOSA-N 2 1 255.365 2.370 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414810088 375996140 /nfs/dbraw/zinc/99/61/40/375996140.db2.gz WQTHZSIJOSWTFG-UHFFFAOYSA-N 2 1 285.391 2.488 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000414813571 376000124 /nfs/dbraw/zinc/00/01/24/376000124.db2.gz MPRZFPGLLWDTSU-LBPRGKRZSA-N 2 1 293.436 2.207 20 0 CEADMP CN(C)c1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414820567 376006099 /nfs/dbraw/zinc/00/60/99/376006099.db2.gz ACYRAGNMACBORS-YIONKMFJSA-N 2 1 259.397 2.125 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C2 ZINC000414928576 376013221 /nfs/dbraw/zinc/01/32/21/376013221.db2.gz MVQODXLTIJYHRP-IVMMDQJWSA-N 2 1 274.408 2.140 20 0 CEADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414797761 375982551 /nfs/dbraw/zinc/98/25/51/375982551.db2.gz BNLHOPVZWDGBLC-BZNIZROVSA-N 2 1 272.396 2.211 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000414800637 375984126 /nfs/dbraw/zinc/98/41/26/375984126.db2.gz SJEORNAPYRKJKG-GWCFXTLKSA-N 2 1 278.787 2.205 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000414802274 375987428 /nfs/dbraw/zinc/98/74/28/375987428.db2.gz VKQHVWUEVYFOFQ-CQSZACIVSA-N 2 1 276.359 2.289 20 0 CEADMP C[C@H]1C[C@@H](CNCC[NH2+]C2CCCCCC2)CC[NH2+]1 ZINC000414805078 375991214 /nfs/dbraw/zinc/99/12/14/375991214.db2.gz LRDKNDBPWHGELJ-GJZGRUSLSA-N 2 1 267.461 2.277 20 0 CEADMP C[C@H]1C[C@@H](C[NH2+]CCNC2CCCCCC2)CC[NH2+]1 ZINC000414805078 375991221 /nfs/dbraw/zinc/99/12/21/375991221.db2.gz LRDKNDBPWHGELJ-GJZGRUSLSA-N 2 1 267.461 2.277 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)c(F)cn1 ZINC000287873939 376332642 /nfs/dbraw/zinc/33/26/42/376332642.db2.gz YAKCFSBKKMQJFH-SNVBAGLBSA-N 2 1 278.331 2.085 20 0 CEADMP CCC(C)(C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419296594 376432661 /nfs/dbraw/zinc/43/26/61/376432661.db2.gz SEAOOBBCGPEZKF-CYBMUJFWSA-N 2 1 295.471 2.286 20 0 CEADMP CCC(CC)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419299914 376434957 /nfs/dbraw/zinc/43/49/57/376434957.db2.gz ZWMJYKLPOOIULN-CYBMUJFWSA-N 2 1 295.471 2.286 20 0 CEADMP CN(Cc1cnccn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556773466 376482779 /nfs/dbraw/zinc/48/27/79/376482779.db2.gz URSSZWUZNZUJAR-KRWDZBQOSA-N 2 1 296.418 2.431 20 0 CEADMP FC(F)(F)CO[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000557333427 376551461 /nfs/dbraw/zinc/55/14/61/376551461.db2.gz AYSCEJDPHQYJOB-CHWSQXEVSA-N 2 1 294.361 2.419 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccnc1Cl ZINC000264390247 190106380 /nfs/dbraw/zinc/10/63/80/190106380.db2.gz RNTYJWLUQPWZCN-UHFFFAOYSA-N 2 1 264.760 2.420 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000312658901 376724262 /nfs/dbraw/zinc/72/42/62/376724262.db2.gz GQUNWVAFVGKLGT-OKILXGFUSA-N 2 1 278.371 2.266 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1F ZINC000311572965 376678347 /nfs/dbraw/zinc/67/83/47/376678347.db2.gz AOQKZKDLVSMJGU-IAQYHMDHSA-N 2 1 266.360 2.251 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1F ZINC000311572965 376678354 /nfs/dbraw/zinc/67/83/54/376678354.db2.gz AOQKZKDLVSMJGU-IAQYHMDHSA-N 2 1 266.360 2.251 20 0 CEADMP O=C(CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1 ZINC000420388817 376687387 /nfs/dbraw/zinc/68/73/87/376687387.db2.gz XAKWODDHJAKWLR-KRWDZBQOSA-N 2 1 287.407 2.091 20 0 CEADMP CC1(C)CCC[N@H+]1CCNC1CC[NH+](CC2CC2)CC1 ZINC000560126083 376713709 /nfs/dbraw/zinc/71/37/09/376713709.db2.gz IGZBIMVGKHSEQQ-UHFFFAOYSA-N 2 1 279.472 2.325 20 0 CEADMP CN(CC[N@@H+](C)Cc1ccccc1)C[C@@H]1CCC[NH+]1C ZINC000420995501 376764906 /nfs/dbraw/zinc/76/49/06/376764906.db2.gz IGFRDZZHDITORD-KRWDZBQOSA-N 2 1 275.440 2.144 20 0 CEADMP CN(CC[NH+](C)Cc1ccccc1)C[C@@H]1CCC[N@@H+]1C ZINC000420995501 376764910 /nfs/dbraw/zinc/76/49/10/376764910.db2.gz IGFRDZZHDITORD-KRWDZBQOSA-N 2 1 275.440 2.144 20 0 CEADMP CN(CC[NH+](C)Cc1ccccc1)C[C@@H]1CCC[N@H+]1C ZINC000420995501 376764916 /nfs/dbraw/zinc/76/49/16/376764916.db2.gz IGFRDZZHDITORD-KRWDZBQOSA-N 2 1 275.440 2.144 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(C)ccc1O ZINC000290340204 376739426 /nfs/dbraw/zinc/73/94/26/376739426.db2.gz FIVAEODPQNBJOY-UHFFFAOYSA-N 2 1 274.368 2.123 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(C)ccc1O ZINC000290340204 376739431 /nfs/dbraw/zinc/73/94/31/376739431.db2.gz FIVAEODPQNBJOY-UHFFFAOYSA-N 2 1 274.368 2.123 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000315029783 376790619 /nfs/dbraw/zinc/79/06/19/376790619.db2.gz ZSNZJMRYSLVCGN-IYBDPMFKSA-N 2 1 287.407 2.076 20 0 CEADMP Cc1c(Cl)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)nn1C ZINC000421390099 376807477 /nfs/dbraw/zinc/80/74/77/376807477.db2.gz ZMSTXDZTOTZCML-GFCCVEGCSA-N 2 1 284.835 2.203 20 0 CEADMP Cc1c(Cl)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)nn1C ZINC000421390099 376807483 /nfs/dbraw/zinc/80/74/83/376807483.db2.gz ZMSTXDZTOTZCML-GFCCVEGCSA-N 2 1 284.835 2.203 20 0 CEADMP C[C@@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)C(C)(C)C ZINC000685458419 542142122 /nfs/dbraw/zinc/14/21/22/542142122.db2.gz KMQAVVMERWRLGR-HNNXBMFYSA-N 2 1 269.477 2.238 20 0 CEADMP COC1(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCCC1 ZINC000318923577 376813439 /nfs/dbraw/zinc/81/34/39/376813439.db2.gz DLECUEMQUAWJOD-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1nc(F)ccc1CN1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000290514673 376814030 /nfs/dbraw/zinc/81/40/30/376814030.db2.gz PRSUVPPBHGHSTM-HUUCEWRRSA-N 2 1 277.387 2.445 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422940337 376869561 /nfs/dbraw/zinc/86/95/61/376869561.db2.gz GYIHCQHIGMMACR-STQMWFEESA-N 2 1 270.323 2.300 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@H](C)[C@H]1CCCC[NH2+]1)CC2 ZINC000423079528 376972389 /nfs/dbraw/zinc/97/23/89/376972389.db2.gz QTRYBUOFAXRJMN-VNQPRFMTSA-N 2 1 290.455 2.442 20 0 CEADMP CC[C@@H](NC[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423080734 376974681 /nfs/dbraw/zinc/97/46/81/376974681.db2.gz ZZKKKIDQFYJLAO-XHSDSOJGSA-N 2 1 265.445 2.124 20 0 CEADMP CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423079696 376974741 /nfs/dbraw/zinc/97/47/41/376974741.db2.gz YQBRYFLZENJTGI-BFHYXJOUSA-N 2 1 254.418 2.169 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+](CC1CCCCC1)C1CC1 ZINC000562478622 376906155 /nfs/dbraw/zinc/90/61/55/376906155.db2.gz LEELEZGDNQGPOH-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](CC1CCCCC1)C1CC1 ZINC000562478622 376906163 /nfs/dbraw/zinc/90/61/63/376906163.db2.gz LEELEZGDNQGPOH-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CC1CCCCC1)C1CC1 ZINC000562478622 376906170 /nfs/dbraw/zinc/90/61/70/376906170.db2.gz LEELEZGDNQGPOH-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC1CCCCC1)C1CC1 ZINC000562478622 376906179 /nfs/dbraw/zinc/90/61/79/376906179.db2.gz LEELEZGDNQGPOH-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC1CCCCC1)C1CC1 ZINC000562478622 376906181 /nfs/dbraw/zinc/90/61/81/376906181.db2.gz LEELEZGDNQGPOH-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP C([NH2+][C@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1(C2CC2)CCC1 ZINC000422998173 376914878 /nfs/dbraw/zinc/91/48/78/376914878.db2.gz CLLBEIVQKLELDR-HRCADAONSA-N 2 1 278.440 2.313 20 0 CEADMP C([NH2+][C@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1(C2CC2)CCC1 ZINC000422998175 376915043 /nfs/dbraw/zinc/91/50/43/376915043.db2.gz CLLBEIVQKLELDR-OWCLPIDISA-N 2 1 278.440 2.313 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000422998105 376915372 /nfs/dbraw/zinc/91/53/72/376915372.db2.gz PQGLPSMXOYZPHM-HZPDHXFCSA-N 2 1 267.461 2.229 20 0 CEADMP CC[N@H+](CCN[C@H](C)[C@H]1CCCC[NH2+]1)CCC(F)(F)F ZINC000423083580 376976400 /nfs/dbraw/zinc/97/64/00/376976400.db2.gz ZATJXJOPQVTYMW-CHWSQXEVSA-N 2 1 295.393 2.381 20 0 CEADMP CC[N@@H+](CCN[C@H](C)[C@H]1CCCC[NH2+]1)CCC(F)(F)F ZINC000423083580 376976403 /nfs/dbraw/zinc/97/64/03/376976403.db2.gz ZATJXJOPQVTYMW-CHWSQXEVSA-N 2 1 295.393 2.381 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000423001740 376919610 /nfs/dbraw/zinc/91/96/10/376919610.db2.gz XRIBGHTXMFBWIS-OWCLPIDISA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1c[nH+]ccc1N ZINC000423033897 376940568 /nfs/dbraw/zinc/94/05/68/376940568.db2.gz PCQXBFQWQNOSSD-AGIUHOORSA-N 2 1 263.385 2.350 20 0 CEADMP Cc1csc([C@@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)n1 ZINC000423035726 376943494 /nfs/dbraw/zinc/94/34/94/376943494.db2.gz JVZBSBVSAGOJCJ-MVWJERBFSA-N 2 1 253.415 2.285 20 0 CEADMP C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C[C@H]1CCCCO1 ZINC000423035991 376943791 /nfs/dbraw/zinc/94/37/91/376943791.db2.gz KFELUKAZSWKJDJ-YYIAUSFCSA-N 2 1 296.455 2.082 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1c[nH+]ccc1N ZINC000423041150 376945369 /nfs/dbraw/zinc/94/53/69/376945369.db2.gz WFOWEQHZMIYJRX-VHSXEESVSA-N 2 1 262.382 2.405 20 0 CEADMP C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423069279 376959768 /nfs/dbraw/zinc/95/97/68/376959768.db2.gz DMRHBZLBBNIQFS-SNPRPXQTSA-N 2 1 254.418 2.048 20 0 CEADMP C[C@H](O)[C@@](C)(C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423069697 376961707 /nfs/dbraw/zinc/96/17/07/376961707.db2.gz FCTXIBHKUUZABJ-CWLKWCNXSA-N 2 1 290.451 2.346 20 0 CEADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C[C@H](C)O1 ZINC000423117850 377013008 /nfs/dbraw/zinc/01/30/08/377013008.db2.gz XORSUEYGFUXGAY-SBJFKYEJSA-N 2 1 254.418 2.168 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000423119176 377015742 /nfs/dbraw/zinc/01/57/42/377015742.db2.gz BONBDKMGMAKUSA-STQMWFEESA-N 2 1 278.444 2.228 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)CN(C)C(C)C ZINC000423119176 377015748 /nfs/dbraw/zinc/01/57/48/377015748.db2.gz BONBDKMGMAKUSA-STQMWFEESA-N 2 1 278.444 2.228 20 0 CEADMP CCCc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])o1 ZINC000423122530 377019752 /nfs/dbraw/zinc/01/97/52/377019752.db2.gz CQHSAKIKJQDNEJ-VXGBXAGGSA-N 2 1 251.374 2.153 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423124756 377022051 /nfs/dbraw/zinc/02/20/51/377022051.db2.gz PAFOBXXXLVYBOK-WLYUNCDWSA-N 3 1 255.450 2.214 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423124756 377022055 /nfs/dbraw/zinc/02/20/55/377022055.db2.gz PAFOBXXXLVYBOK-WLYUNCDWSA-N 3 1 255.450 2.214 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)C1CC1 ZINC000562955968 377034008 /nfs/dbraw/zinc/03/40/08/377034008.db2.gz QDHLCLXHYDRFQF-KBMXLJTQSA-N 2 1 259.397 2.435 20 0 CEADMP COc1cc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)ccc1Cl ZINC000423136349 377035113 /nfs/dbraw/zinc/03/51/13/377035113.db2.gz PEFYRQQFEJQAPD-RISCZKNCSA-N 2 1 282.815 2.479 20 0 CEADMP OC[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CC1 ZINC000423144039 377041998 /nfs/dbraw/zinc/04/19/98/377041998.db2.gz YDZUDMQDGNXUJK-GVDBMIGSSA-N 2 1 274.408 2.088 20 0 CEADMP CS[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@@H](SC)C2)C1 ZINC000562723346 376985408 /nfs/dbraw/zinc/98/54/08/376985408.db2.gz YURPHEHNULCZAT-CHWSQXEVSA-N 2 1 274.499 2.251 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n(C)n1 ZINC000423097930 376991449 /nfs/dbraw/zinc/99/14/49/376991449.db2.gz BRXKZMAWNRXBAK-OWCLPIDISA-N 2 1 276.428 2.129 20 0 CEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423102684 376995403 /nfs/dbraw/zinc/99/54/03/376995403.db2.gz OMURSRNLWOZGMV-IBEHDNSVSA-N 2 1 266.429 2.169 20 0 CEADMP C[C@H]([NH2+]C[C@@](C)(CO)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423109571 377003097 /nfs/dbraw/zinc/00/30/97/377003097.db2.gz NTJXNNZWEWMULO-UAGQMJEPSA-N 2 1 276.424 2.057 20 0 CEADMP COc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000423207459 377125750 /nfs/dbraw/zinc/12/57/50/377125750.db2.gz HDECICIINHBMNA-WDEREUQCSA-N 2 1 283.803 2.394 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423197641 377113732 /nfs/dbraw/zinc/11/37/32/377113732.db2.gz AGBAZKHHPIVLMR-LBPRGKRZSA-N 2 1 264.417 2.431 20 0 CEADMP COc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000423207451 377124892 /nfs/dbraw/zinc/12/48/92/377124892.db2.gz HDECICIINHBMNA-GHMZBOCLSA-N 2 1 283.803 2.394 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423271818 377191425 /nfs/dbraw/zinc/19/14/25/377191425.db2.gz JKLSJPSQSAKIEY-RYQLBKOJSA-N 2 1 289.467 2.470 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1ccncc1F)[C@H]1CCC[NH2+]C1 ZINC000423219534 377135936 /nfs/dbraw/zinc/13/59/36/377135936.db2.gz UCXAMABONMZBLA-WOPDTQHZSA-N 2 1 251.349 2.259 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2ccnc2)C[C@@H]1C ZINC000563243508 377140864 /nfs/dbraw/zinc/14/08/64/377140864.db2.gz QZAMYOGCIWAZGH-ZNMIVQPWSA-N 2 1 292.427 2.165 20 0 CEADMP CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563270880 377151025 /nfs/dbraw/zinc/15/10/25/377151025.db2.gz DRMPQJRACMQNAV-ZDUSSCGKSA-N 2 1 290.407 2.106 20 0 CEADMP CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563270880 377151032 /nfs/dbraw/zinc/15/10/32/377151032.db2.gz DRMPQJRACMQNAV-ZDUSSCGKSA-N 2 1 290.407 2.106 20 0 CEADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000423243320 377162194 /nfs/dbraw/zinc/16/21/94/377162194.db2.gz WEPZZBKLHSCLIS-KGLIPLIRSA-N 2 1 270.417 2.088 20 0 CEADMP CCC(CC)[N@H+](CCCc1c[nH+]cn1C)CCOC ZINC000563354371 377180483 /nfs/dbraw/zinc/18/04/83/377180483.db2.gz JDOHVYCYPHZAFR-UHFFFAOYSA-N 2 1 267.417 2.490 20 0 CEADMP CCC(CC)[N@@H+](CCCc1c[nH+]cn1C)CCOC ZINC000563354371 377180496 /nfs/dbraw/zinc/18/04/96/377180496.db2.gz JDOHVYCYPHZAFR-UHFFFAOYSA-N 2 1 267.417 2.490 20 0 CEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C1CCOCC1 ZINC000423261964 377182403 /nfs/dbraw/zinc/18/24/03/377182403.db2.gz LEABVIJPTJXPSG-WFASDCNBSA-N 2 1 254.418 2.299 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423281402 377210661 /nfs/dbraw/zinc/21/06/61/377210661.db2.gz BGUFRZKGNYXFAT-SNVBAGLBSA-N 2 1 275.396 2.304 20 0 CEADMP C[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423283456 377213041 /nfs/dbraw/zinc/21/30/41/377213041.db2.gz WEPIZPMPWOQCLC-DYVFJYSZSA-N 2 1 291.439 2.015 20 0 CEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423283456 377213053 /nfs/dbraw/zinc/21/30/53/377213053.db2.gz WEPIZPMPWOQCLC-DYVFJYSZSA-N 3 1 291.439 2.015 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423297248 377227373 /nfs/dbraw/zinc/22/73/73/377227373.db2.gz JKKAKRJIYRDEOY-XJFOESAGSA-N 2 1 254.418 2.297 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCC[NH2+]C1 ZINC000423335652 377267951 /nfs/dbraw/zinc/26/79/51/377267951.db2.gz JEGGDXKEGPAGPR-VQHPVUNQSA-N 3 1 279.472 2.277 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000423313229 377242648 /nfs/dbraw/zinc/24/26/48/377242648.db2.gz WMMVQQCCYBUKQX-SFYZADRCSA-N 2 1 290.180 2.229 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[NH3+] ZINC000423320708 377250721 /nfs/dbraw/zinc/25/07/21/377250721.db2.gz DQZRMHSLQGZGHD-WBVHZDCISA-N 3 1 275.440 2.226 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[NH3+] ZINC000423320708 377250725 /nfs/dbraw/zinc/25/07/25/377250725.db2.gz DQZRMHSLQGZGHD-WBVHZDCISA-N 3 1 275.440 2.226 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc2c(c1)OCCO2 ZINC000423326141 377258521 /nfs/dbraw/zinc/25/85/21/377258521.db2.gz QOPNURUCCQKSRJ-KGLIPLIRSA-N 2 1 276.380 2.236 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H](NCC3C[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423333319 377262282 /nfs/dbraw/zinc/26/22/82/377262282.db2.gz VUTIQUHHWHCAIA-QYZOEREBSA-N 2 1 299.462 2.239 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3C[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423333319 377262289 /nfs/dbraw/zinc/26/22/89/377262289.db2.gz VUTIQUHHWHCAIA-QYZOEREBSA-N 3 1 299.462 2.239 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3C[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423333319 377262299 /nfs/dbraw/zinc/26/22/99/377262299.db2.gz VUTIQUHHWHCAIA-QYZOEREBSA-N 3 1 299.462 2.239 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1F ZINC000423278315 377204954 /nfs/dbraw/zinc/20/49/54/377204954.db2.gz QQCSIVQDJOVSLC-GWCFXTLKSA-N 2 1 254.349 2.468 20 0 CEADMP Cc1ncccc1CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000685570528 542159830 /nfs/dbraw/zinc/15/98/30/542159830.db2.gz AIIQFOCSGJMMEX-UHFFFAOYSA-N 2 1 259.397 2.450 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)Cc3ccccc3)C2)C1 ZINC000292903360 377344151 /nfs/dbraw/zinc/34/41/51/377344151.db2.gz GUGYHEYFEXEUFH-ZWKOTPCHSA-N 2 1 288.435 2.008 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)Cc3ccccc3)C2)C1 ZINC000292903360 377344160 /nfs/dbraw/zinc/34/41/60/377344160.db2.gz GUGYHEYFEXEUFH-ZWKOTPCHSA-N 2 1 288.435 2.008 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)Cc3ccccc3)C2)C1 ZINC000292903360 377344165 /nfs/dbraw/zinc/34/41/65/377344165.db2.gz GUGYHEYFEXEUFH-ZWKOTPCHSA-N 2 1 288.435 2.008 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCC[C@H]3COCC[C@H]31)C[NH2+]CC2 ZINC000564804038 377459214 /nfs/dbraw/zinc/45/92/14/377459214.db2.gz OORCWGVSPVVQPW-FUHWJXTLSA-N 2 1 286.419 2.333 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](O)Cc1ccccc1 ZINC000293367855 377538861 /nfs/dbraw/zinc/53/88/61/377538861.db2.gz OUZQBIBDAKFPKN-SJORKVTESA-N 2 1 276.424 2.006 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H](O)Cc1ccccc1 ZINC000293367855 377538869 /nfs/dbraw/zinc/53/88/69/377538869.db2.gz OUZQBIBDAKFPKN-SJORKVTESA-N 2 1 276.424 2.006 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H](O)Cc1ccccc1 ZINC000293367855 377538880 /nfs/dbraw/zinc/53/88/80/377538880.db2.gz OUZQBIBDAKFPKN-SJORKVTESA-N 2 1 276.424 2.006 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](O)Cc1ccccc1 ZINC000293367852 377538983 /nfs/dbraw/zinc/53/89/83/377538983.db2.gz OUZQBIBDAKFPKN-IRXDYDNUSA-N 2 1 276.424 2.006 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H](O)Cc1ccccc1 ZINC000293367852 377538989 /nfs/dbraw/zinc/53/89/89/377538989.db2.gz OUZQBIBDAKFPKN-IRXDYDNUSA-N 2 1 276.424 2.006 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H](O)Cc1ccccc1 ZINC000293367852 377538997 /nfs/dbraw/zinc/53/89/97/377538997.db2.gz OUZQBIBDAKFPKN-IRXDYDNUSA-N 2 1 276.424 2.006 20 0 CEADMP COc1cccc(CCC[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000430643993 377532266 /nfs/dbraw/zinc/53/22/66/377532266.db2.gz YLGMKKYXUMZFKR-UHFFFAOYSA-N 2 1 262.397 2.312 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCOc2ccc(OC)cc2)C1 ZINC000430643638 377532457 /nfs/dbraw/zinc/53/24/57/377532457.db2.gz XRAUSNJDYXLERL-OAHLLOKOSA-N 2 1 292.423 2.396 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000685665991 542177516 /nfs/dbraw/zinc/17/75/16/542177516.db2.gz MPGMBTYKTIGHJV-HUUCEWRRSA-N 3 1 269.477 2.427 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000685665991 542177521 /nfs/dbraw/zinc/17/75/21/542177521.db2.gz MPGMBTYKTIGHJV-HUUCEWRRSA-N 3 1 269.477 2.427 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000685666166 542177580 /nfs/dbraw/zinc/17/75/80/542177580.db2.gz MPGMBTYKTIGHJV-LSDHHAIUSA-N 3 1 269.477 2.427 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000685666166 542177586 /nfs/dbraw/zinc/17/75/86/542177586.db2.gz MPGMBTYKTIGHJV-LSDHHAIUSA-N 3 1 269.477 2.427 20 0 CEADMP C[C@H](CNC(=O)c1ccc(C[NH3+])cc1)[N@H+]1CCCC[C@@H]1C ZINC000430767033 377550260 /nfs/dbraw/zinc/55/02/60/377550260.db2.gz YRGVDOGVRKNAKL-UONOGXRCSA-N 2 1 289.423 2.138 20 0 CEADMP C[N@@H+](CCCO)C1CCN(Cc2cccc(F)c2)CC1 ZINC000265261878 190169978 /nfs/dbraw/zinc/16/99/78/190169978.db2.gz YNXCKNUYHDWGFW-UHFFFAOYSA-N 2 1 280.387 2.104 20 0 CEADMP COCCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000166848865 542212507 /nfs/dbraw/zinc/21/25/07/542212507.db2.gz IMAPWCFIKPBFFT-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1ccc(C)c(OCCC[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313346351 249394634 /nfs/dbraw/zinc/39/46/34/249394634.db2.gz RJXPUIYLLXOFPM-MRXNPFEDSA-N 2 1 292.423 2.122 20 0 CEADMP CCC[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000431615483 377655991 /nfs/dbraw/zinc/65/59/91/377655991.db2.gz WXFRYQBFTASVDT-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC(NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000431615484 377656055 /nfs/dbraw/zinc/65/60/55/377656055.db2.gz WXFRYQBFTASVDT-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1nc(C)c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC000432346996 377749688 /nfs/dbraw/zinc/74/96/88/377749688.db2.gz LDLJUNFMQACACE-LBPRGKRZSA-N 2 1 297.468 2.350 20 0 CEADMP Cc1nc(C)c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)s1 ZINC000432346996 377749696 /nfs/dbraw/zinc/74/96/96/377749696.db2.gz LDLJUNFMQACACE-LBPRGKRZSA-N 2 1 297.468 2.350 20 0 CEADMP CC[C@@H]1C[C@H](C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CCO1 ZINC000432350909 377751863 /nfs/dbraw/zinc/75/18/63/377751863.db2.gz GNEFGGCUSMVUJN-GVDBMIGSSA-N 2 1 298.471 2.282 20 0 CEADMP CN(CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000566303687 377754839 /nfs/dbraw/zinc/75/48/39/377754839.db2.gz FOWDCFQISFSDNH-QGZVFWFLSA-N 2 1 273.424 2.198 20 0 CEADMP COC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCC1 ZINC000432422174 377760874 /nfs/dbraw/zinc/76/08/74/377760874.db2.gz SHIMVOAPEUOJNI-NVXWUHKLSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000437097100 377839739 /nfs/dbraw/zinc/83/97/39/377839739.db2.gz MXJNDBCWSNOIQP-VYDXJSESSA-N 2 1 287.451 2.225 20 0 CEADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000567516685 377835127 /nfs/dbraw/zinc/83/51/27/377835127.db2.gz FWIBTCNFFOWTOQ-SJORKVTESA-N 2 1 285.391 2.255 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000437972958 377876837 /nfs/dbraw/zinc/87/68/37/377876837.db2.gz SUPYUHLKIWJNDZ-KURKYZTESA-N 2 1 288.435 2.153 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000437972958 377876842 /nfs/dbraw/zinc/87/68/42/377876842.db2.gz SUPYUHLKIWJNDZ-KURKYZTESA-N 2 1 288.435 2.153 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CCOC2)C1 ZINC000438110992 377887111 /nfs/dbraw/zinc/88/71/11/377887111.db2.gz WYDUSWSDYZFVCB-CABCVRRESA-N 2 1 254.418 2.077 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000438110992 377887114 /nfs/dbraw/zinc/88/71/14/377887114.db2.gz WYDUSWSDYZFVCB-CABCVRRESA-N 2 1 254.418 2.077 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000438110992 377887118 /nfs/dbraw/zinc/88/71/18/377887118.db2.gz WYDUSWSDYZFVCB-CABCVRRESA-N 2 1 254.418 2.077 20 0 CEADMP C(C[N@H+]1CCC[C@@H]1CN1CCCCC1)[C@H]1CCOC1 ZINC000437583887 377853243 /nfs/dbraw/zinc/85/32/43/377853243.db2.gz YGIQIBNTOPVECN-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000442920392 378017271 /nfs/dbraw/zinc/01/72/71/378017271.db2.gz LGJTYFIXDORWGK-LBPRGKRZSA-N 2 1 258.369 2.124 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](CC[NH3+])C2)CCO1 ZINC000442931841 378020959 /nfs/dbraw/zinc/02/09/59/378020959.db2.gz WTTCYCGJKYOEAO-QLFBSQMISA-N 2 1 254.418 2.252 20 0 CEADMP FC1(F)CC(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)C1 ZINC000450403459 378397455 /nfs/dbraw/zinc/39/74/55/378397455.db2.gz LYOWHUYAIYODNK-CYBMUJFWSA-N 2 1 288.382 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC1CC(F)(F)C1 ZINC000450598247 378492960 /nfs/dbraw/zinc/49/29/60/378492960.db2.gz JIOLHMLYOAPCFG-MCIONIFRSA-N 2 1 288.382 2.215 20 0 CEADMP Cc1cc(NC[C@@H]2CCC[N@H+]2CCCO)c2ccccc2[nH+]1 ZINC000450600014 378494831 /nfs/dbraw/zinc/49/48/31/378494831.db2.gz UUWWRRYHJGAFRC-HNNXBMFYSA-N 2 1 299.418 2.224 20 0 CEADMP Cc1cc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000450795594 378582774 /nfs/dbraw/zinc/58/27/74/378582774.db2.gz UAOJRYDFNWKYCV-GASCZTMLSA-N 2 1 299.418 2.435 20 0 CEADMP C[C@@H](O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000450880417 378627697 /nfs/dbraw/zinc/62/76/97/378627697.db2.gz PSJTWOVTLSECNN-CYBMUJFWSA-N 2 1 277.412 2.170 20 0 CEADMP Cc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000296657253 378607820 /nfs/dbraw/zinc/60/78/20/378607820.db2.gz DWSJRXSRLUMJOB-UHFFFAOYSA-N 2 1 281.469 2.172 20 0 CEADMP CC(C)[C@@H]1[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC12CCCC2 ZINC000453035412 378781023 /nfs/dbraw/zinc/78/10/23/378781023.db2.gz JYYOYULMJBUNAG-HOTGVXAUSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC12CCCC2 ZINC000453035412 378781027 /nfs/dbraw/zinc/78/10/27/378781027.db2.gz JYYOYULMJBUNAG-HOTGVXAUSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@@H]1[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC12CCCC2 ZINC000453035412 378781033 /nfs/dbraw/zinc/78/10/33/378781033.db2.gz JYYOYULMJBUNAG-HOTGVXAUSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@@H]1[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC12CCCC2 ZINC000453035412 378781040 /nfs/dbraw/zinc/78/10/40/378781040.db2.gz JYYOYULMJBUNAG-HOTGVXAUSA-N 2 1 280.456 2.342 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@@H](C2CC2)C2CCC2)CC1(C)C ZINC000453210957 378829631 /nfs/dbraw/zinc/82/96/31/378829631.db2.gz KGHGLGRPYSAPDR-MRXNPFEDSA-N 2 1 279.472 2.181 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346821536 218025355 /nfs/dbraw/zinc/02/53/55/218025355.db2.gz ILALPMMRDXPXGW-QGZVFWFLSA-N 3 1 281.488 2.430 20 0 CEADMP Cc1ncc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1-c1ccccc1 ZINC000346837104 218030531 /nfs/dbraw/zinc/03/05/31/218030531.db2.gz PEKSCUQNERROCJ-UKRRQHHQSA-N 2 1 284.407 2.350 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCOC2)[C@H](C)C1 ZINC000346855078 218037916 /nfs/dbraw/zinc/03/79/16/218037916.db2.gz BRWKSHOSMSJVQC-IKGGRYGDSA-N 2 1 298.471 2.140 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2nccn21 ZINC000453390709 378883296 /nfs/dbraw/zinc/88/32/96/378883296.db2.gz DFYILWBZRLVKMY-GXTWGEPZSA-N 2 1 262.401 2.353 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCC[NH+](C)C2CC2)[C@@H](C)C1 ZINC000453413847 378894885 /nfs/dbraw/zinc/89/48/85/378894885.db2.gz WNHOYTODXIFBCS-HOCLYGCPSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)[C@@H](C)C1 ZINC000453413847 378894888 /nfs/dbraw/zinc/89/48/88/378894888.db2.gz WNHOYTODXIFBCS-HOCLYGCPSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H](C)C1 ZINC000453413847 378894889 /nfs/dbraw/zinc/89/48/89/378894889.db2.gz WNHOYTODXIFBCS-HOCLYGCPSA-N 3 1 267.461 2.181 20 0 CEADMP CCN1CC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)[C@@H](C)C1 ZINC000453413847 378894891 /nfs/dbraw/zinc/89/48/91/378894891.db2.gz WNHOYTODXIFBCS-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP CCN1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H](C)C1 ZINC000453413847 378894892 /nfs/dbraw/zinc/89/48/92/378894892.db2.gz WNHOYTODXIFBCS-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453373160 378878360 /nfs/dbraw/zinc/87/83/60/378878360.db2.gz WULZXWKJYLIAOL-GBJTYRQASA-N 2 1 276.428 2.426 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453373160 378878362 /nfs/dbraw/zinc/87/83/62/378878362.db2.gz WULZXWKJYLIAOL-GBJTYRQASA-N 2 1 276.428 2.426 20 0 CEADMP C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346967535 218071824 /nfs/dbraw/zinc/07/18/24/218071824.db2.gz DCGBXHGUVSCWFH-JKIFEVAISA-N 2 1 274.408 2.310 20 0 CEADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H](CCO)c1ccccc1 ZINC000346996803 218084454 /nfs/dbraw/zinc/08/44/54/218084454.db2.gz CYEYOWCEWNKVQG-HOCLYGCPSA-N 2 1 262.397 2.042 20 0 CEADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H](CCO)c1ccccc1 ZINC000346996802 218085240 /nfs/dbraw/zinc/08/52/40/218085240.db2.gz CYEYOWCEWNKVQG-GOEBONIOSA-N 2 1 262.397 2.042 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000347031800 218099333 /nfs/dbraw/zinc/09/93/33/218099333.db2.gz AOTWDLYRGRWWBO-GFCCVEGCSA-N 2 1 288.370 2.387 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@H]1[NH3+] ZINC000347038093 218100341 /nfs/dbraw/zinc/10/03/41/218100341.db2.gz ICXZEWDSAQEVCE-XJKSGUPXSA-N 2 1 298.390 2.438 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000347036507 218100427 /nfs/dbraw/zinc/10/04/27/218100427.db2.gz GYSTZCUDPCBBSH-VXGBXAGGSA-N 2 1 280.368 2.016 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000347036507 218100429 /nfs/dbraw/zinc/10/04/29/218100429.db2.gz GYSTZCUDPCBBSH-VXGBXAGGSA-N 2 1 280.368 2.016 20 0 CEADMP COc1cc2c(c(C[N@@H+]3CCC[C@@H](C[NH3+])C3)c1)O[C@@H](C)C2 ZINC000347022404 218095497 /nfs/dbraw/zinc/09/54/97/218095497.db2.gz OEEGDYRQOIVXSO-STQMWFEESA-N 2 1 290.407 2.189 20 0 CEADMP COc1cc2c(c(C[N@H+]3CCC[C@@H](C[NH3+])C3)c1)O[C@@H](C)C2 ZINC000347022404 218095499 /nfs/dbraw/zinc/09/54/99/218095499.db2.gz OEEGDYRQOIVXSO-STQMWFEESA-N 2 1 290.407 2.189 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347106755 218123175 /nfs/dbraw/zinc/12/31/75/218123175.db2.gz MAJDZTQMBRQEJR-CHWSQXEVSA-N 2 1 278.444 2.104 20 0 CEADMP CC(C)Cn1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000347109232 218124191 /nfs/dbraw/zinc/12/41/91/218124191.db2.gz MUVBECVGRLJKHA-ZFWWWQNUSA-N 2 1 264.417 2.098 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000347109232 218124192 /nfs/dbraw/zinc/12/41/92/218124192.db2.gz MUVBECVGRLJKHA-ZFWWWQNUSA-N 2 1 264.417 2.098 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000347110841 218125032 /nfs/dbraw/zinc/12/50/32/218125032.db2.gz OAELMALEZSSVAW-DOMZBBRYSA-N 2 1 278.444 2.469 20 0 CEADMP CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000347111771 218126098 /nfs/dbraw/zinc/12/60/98/218126098.db2.gz ORFKRBQUELFGOV-STQMWFEESA-N 2 1 263.385 2.040 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000347111771 218126100 /nfs/dbraw/zinc/12/61/00/218126100.db2.gz ORFKRBQUELFGOV-STQMWFEESA-N 2 1 263.385 2.040 20 0 CEADMP COCCOc1ccccc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347070096 218112014 /nfs/dbraw/zinc/11/20/14/218112014.db2.gz PKEISZWELCQZBQ-CABCVRRESA-N 2 1 292.423 2.271 20 0 CEADMP CCOCc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1OC ZINC000347227769 218161931 /nfs/dbraw/zinc/16/19/31/218161931.db2.gz WIWMJTBJQPCHJV-UHFFFAOYSA-N 2 1 292.423 2.416 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000347207280 218155298 /nfs/dbraw/zinc/15/52/98/218155298.db2.gz MTBDSTYRKABFOU-GFCCVEGCSA-N 2 1 276.409 2.105 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000180174765 542261703 /nfs/dbraw/zinc/26/17/03/542261703.db2.gz KGMKSCGABUSFKI-STQMWFEESA-N 2 1 264.417 2.491 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCCCO2)CC[N@@H+]1C ZINC000347429667 218232279 /nfs/dbraw/zinc/23/22/79/218232279.db2.gz BWPDGWQFFCFADR-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCCCO2)CC[N@H+]1C ZINC000347429667 218232280 /nfs/dbraw/zinc/23/22/80/218232280.db2.gz BWPDGWQFFCFADR-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CCCCO2)CC[NH+]1C ZINC000347429667 218232281 /nfs/dbraw/zinc/23/22/81/218232281.db2.gz BWPDGWQFFCFADR-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CCCCO2)CC[NH+]1C ZINC000347429667 218232282 /nfs/dbraw/zinc/23/22/82/218232282.db2.gz BWPDGWQFFCFADR-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP Cc1ccc(F)cc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000180172783 542261920 /nfs/dbraw/zinc/26/19/20/542261920.db2.gz NUMAHGXAQZACGH-UHFFFAOYSA-N 2 1 293.430 2.251 20 0 CEADMP CO[C@H]1C[C@@H]([N@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC000510108726 379114112 /nfs/dbraw/zinc/11/41/12/379114112.db2.gz NCQWAGIMPJCTAC-OKILXGFUSA-N 2 1 251.374 2.081 20 0 CEADMP CO[C@H]1C[C@@H]([N@@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC000510108726 379114118 /nfs/dbraw/zinc/11/41/18/379114118.db2.gz NCQWAGIMPJCTAC-OKILXGFUSA-N 2 1 251.374 2.081 20 0 CEADMP C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000514947647 379170012 /nfs/dbraw/zinc/17/00/12/379170012.db2.gz GOCCBQOEERVMAQ-OCCSQVGLSA-N 2 1 294.443 2.071 20 0 CEADMP CC[NH+](CC)[C@@H](C[NH2+]CC1(C)COC1)CC(C)C ZINC000352779964 284773700 /nfs/dbraw/zinc/77/37/00/284773700.db2.gz MZCHQNXKINOXCI-CQSZACIVSA-N 2 1 256.434 2.369 20 0 CEADMP C[N@@H+](CCCCO)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266596050 190269602 /nfs/dbraw/zinc/26/96/02/190269602.db2.gz VPEVBZIPWIYIFF-KRWDZBQOSA-N 2 1 276.424 2.213 20 0 CEADMP C[NH+](CCCCO)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266596050 190269603 /nfs/dbraw/zinc/26/96/03/190269603.db2.gz VPEVBZIPWIYIFF-KRWDZBQOSA-N 2 1 276.424 2.213 20 0 CEADMP C[NH+](CCCCO)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266596050 190269604 /nfs/dbraw/zinc/26/96/04/190269604.db2.gz VPEVBZIPWIYIFF-KRWDZBQOSA-N 2 1 276.424 2.213 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000519423641 379418685 /nfs/dbraw/zinc/41/86/85/379418685.db2.gz MDMNMMQOXIFZSM-UHFFFAOYSA-N 2 1 266.429 2.146 20 0 CEADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000520610067 379495209 /nfs/dbraw/zinc/49/52/09/379495209.db2.gz PUNHFRKEHOWVQR-BBWFWOEESA-N 2 1 275.440 2.457 20 0 CEADMP CC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303980115 379502313 /nfs/dbraw/zinc/50/23/13/379502313.db2.gz DYSXHGRELCXMDP-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCO)C1 ZINC000304010514 379511507 /nfs/dbraw/zinc/51/15/07/379511507.db2.gz MWEQIICVNLDWFU-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCO)C1 ZINC000304010514 379511512 /nfs/dbraw/zinc/51/15/12/379511512.db2.gz MWEQIICVNLDWFU-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCO)C1 ZINC000304010514 379511514 /nfs/dbraw/zinc/51/15/14/379511514.db2.gz MWEQIICVNLDWFU-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP CCc1noc([C@H](C)[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)n1 ZINC000266908206 190289592 /nfs/dbraw/zinc/28/95/92/190289592.db2.gz IIEGDYGNFHBPLW-QWRGUYRKSA-N 2 1 275.356 2.296 20 0 CEADMP CCc1noc([C@H](C)[N@H+]2CCC[C@H](c3ncc[nH]3)C2)n1 ZINC000266908206 190289593 /nfs/dbraw/zinc/28/95/93/190289593.db2.gz IIEGDYGNFHBPLW-QWRGUYRKSA-N 2 1 275.356 2.296 20 0 CEADMP Cc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000523463083 379596712 /nfs/dbraw/zinc/59/67/12/379596712.db2.gz HLIJAUBEXMPNNW-AWEZNQCLSA-N 2 1 285.391 2.098 20 0 CEADMP Cc1cc(NCC[N@H+]2CCO[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000523463083 379596716 /nfs/dbraw/zinc/59/67/16/379596716.db2.gz HLIJAUBEXMPNNW-AWEZNQCLSA-N 2 1 285.391 2.098 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000522851292 379576514 /nfs/dbraw/zinc/57/65/14/379576514.db2.gz UVZVGIBJLGFESR-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)[NH+](CC)CC ZINC000267208555 190311936 /nfs/dbraw/zinc/31/19/36/190311936.db2.gz GADXUYLDPSSPFA-ZDUSSCGKSA-N 2 1 278.400 2.207 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC(C)(C)CO)[C@H](C)C1 ZINC000305174478 379670563 /nfs/dbraw/zinc/67/05/63/379670563.db2.gz UZYGORAKEHGAJQ-ZIAGYGMSSA-N 2 1 256.434 2.105 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000457136245 379682796 /nfs/dbraw/zinc/68/27/96/379682796.db2.gz WQNPNDUQDHKLTL-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC000347727997 218337625 /nfs/dbraw/zinc/33/76/25/218337625.db2.gz CSHNBSHCEGKINB-CVEARBPZSA-N 2 1 297.487 2.297 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000347745734 218342927 /nfs/dbraw/zinc/34/29/27/218342927.db2.gz WXZSRNVMMDVSEG-UHFFFAOYSA-N 2 1 278.444 2.396 20 0 CEADMP CCC(=O)CCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000347756218 218345651 /nfs/dbraw/zinc/34/56/51/218345651.db2.gz ZDTZZRWNJFDJNR-AWEZNQCLSA-N 2 1 252.402 2.163 20 0 CEADMP CCC(=O)CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000347756218 218345655 /nfs/dbraw/zinc/34/56/55/218345655.db2.gz ZDTZZRWNJFDJNR-AWEZNQCLSA-N 2 1 252.402 2.163 20 0 CEADMP COCCC1CC[NH+]([C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000527938060 379851386 /nfs/dbraw/zinc/85/13/86/379851386.db2.gz YBRDZZMFTJKDCC-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP COCCC1CC[NH+]([C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000527938060 379851388 /nfs/dbraw/zinc/85/13/88/379851388.db2.gz YBRDZZMFTJKDCC-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528736887 380072291 /nfs/dbraw/zinc/07/22/91/380072291.db2.gz DCNZCJLBGXLKMB-UHFFFAOYSA-N 2 1 297.406 2.078 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528736887 380072293 /nfs/dbraw/zinc/07/22/93/380072293.db2.gz DCNZCJLBGXLKMB-UHFFFAOYSA-N 2 1 297.406 2.078 20 0 CEADMP CC(C)[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CS1 ZINC000488444248 380095265 /nfs/dbraw/zinc/09/52/65/380095265.db2.gz CPIYIBVXSSZUQS-UONOGXRCSA-N 2 1 254.443 2.368 20 0 CEADMP CC(C)[C@@H]1CN(C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC[N@H+]1C ZINC000489383414 380184138 /nfs/dbraw/zinc/18/41/38/380184138.db2.gz AKUILPPMRKBRTL-QXSJWSMHSA-N 2 1 295.471 2.046 20 0 CEADMP CC(C)[C@@H]1CN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC[NH+]1C ZINC000489383414 380184141 /nfs/dbraw/zinc/18/41/41/380184141.db2.gz AKUILPPMRKBRTL-QXSJWSMHSA-N 2 1 295.471 2.046 20 0 CEADMP CC(C)[C@@H]1CN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC[NH+]1C ZINC000489383414 380184148 /nfs/dbraw/zinc/18/41/48/380184148.db2.gz AKUILPPMRKBRTL-QXSJWSMHSA-N 2 1 295.471 2.046 20 0 CEADMP Cc1nc(C[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)no1 ZINC000333950530 380188111 /nfs/dbraw/zinc/18/81/11/380188111.db2.gz YGTKLDCHCMTIRE-VHDGCEQUSA-N 2 1 292.427 2.021 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)C1CCCCC1 ZINC000543840579 380348921 /nfs/dbraw/zinc/34/89/21/380348921.db2.gz UVFAROVRHFSKTP-CABCVRRESA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC000548844636 380569898 /nfs/dbraw/zinc/56/98/98/380569898.db2.gz ULWIHKOOCUXYSX-IYBDPMFKSA-N 2 1 299.528 2.228 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000549131670 380592215 /nfs/dbraw/zinc/59/22/15/380592215.db2.gz TYGBXFCTJFTQLP-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCCn2ccnc2)[C@@H]2CCC[C@H]21 ZINC000552034091 380677142 /nfs/dbraw/zinc/67/71/42/380677142.db2.gz DKBSFBLOQYFLLR-HRCADAONSA-N 3 1 276.428 2.126 20 0 CEADMP CN1CC[C@H]([NH2+]CCCCn2ccnc2)[C@@H]2CCC[C@H]21 ZINC000552034091 380677145 /nfs/dbraw/zinc/67/71/45/380677145.db2.gz DKBSFBLOQYFLLR-HRCADAONSA-N 3 1 276.428 2.126 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1nn(C)c2ccccc12 ZINC000359989479 220277070 /nfs/dbraw/zinc/27/70/70/220277070.db2.gz YIVZFQHQVNDMFQ-ZFWWWQNUSA-N 2 1 286.423 2.046 20 0 CEADMP CCc1cc(N2CC[C@H](c3[nH+]ccn3C)C2)cc[nH+]1 ZINC000334775117 207055431 /nfs/dbraw/zinc/05/54/31/207055431.db2.gz JEDLBJYWMDXSNP-LBPRGKRZSA-N 2 1 256.353 2.371 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccccc1N(C)C ZINC000288806625 197169984 /nfs/dbraw/zinc/16/99/84/197169984.db2.gz LDUXVIISEYCSED-UHFFFAOYSA-N 2 1 272.396 2.390 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccccc1N(C)C ZINC000288806625 197169986 /nfs/dbraw/zinc/16/99/86/197169986.db2.gz LDUXVIISEYCSED-UHFFFAOYSA-N 2 1 272.396 2.390 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cccc3c2NCC3)C[C@H]1C[NH3+] ZINC000334822933 207140499 /nfs/dbraw/zinc/14/04/99/207140499.db2.gz ZDZSQPHPNIVXHZ-SWLSCSKDSA-N 2 1 259.397 2.071 20 0 CEADMP NC(=O)c1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000335269713 208069309 /nfs/dbraw/zinc/06/93/09/208069309.db2.gz ORLCIHDERNJVDE-GASCZTMLSA-N 2 1 273.380 2.001 20 0 CEADMP Fc1cc2cccnc2c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000335281219 208092247 /nfs/dbraw/zinc/09/22/47/208092247.db2.gz ZYOKZRGJPCWZAX-UHFFFAOYSA-N 2 1 259.328 2.216 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335282917 208095468 /nfs/dbraw/zinc/09/54/68/208095468.db2.gz YJPGQWWRTPSBGC-NSHDSACASA-N 2 1 263.385 2.255 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000353800216 220336355 /nfs/dbraw/zinc/33/63/55/220336355.db2.gz QMSFQKIVKUBKAY-PMPSAXMXSA-N 2 1 295.471 2.238 20 0 CEADMP Cc1ccncc1CCC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000289280664 197284019 /nfs/dbraw/zinc/28/40/19/197284019.db2.gz OPQLTTRLNJROKN-OAHLLOKOSA-N 2 1 273.424 2.397 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000353862299 220373311 /nfs/dbraw/zinc/37/33/11/220373311.db2.gz CAFMDLWHHBTFRQ-VNHYZAJKSA-N 2 1 272.396 2.153 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000353862299 220373314 /nfs/dbraw/zinc/37/33/14/220373314.db2.gz CAFMDLWHHBTFRQ-VNHYZAJKSA-N 2 1 272.396 2.153 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCCCCC[NH3+])[C@@H](C)C1 ZINC000236848041 285384217 /nfs/dbraw/zinc/38/42/17/285384217.db2.gz ABEQRXYVKPDEQR-GJZGRUSLSA-N 2 1 283.460 2.084 20 0 CEADMP C[C@@H](CCCC[NH3+])NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000417539590 533533327 /nfs/dbraw/zinc/53/33/27/533533327.db2.gz VUHRFIPBSZDBJO-SOUVJXGZSA-N 2 1 298.475 2.066 20 0 CEADMP c1cc2c(s1)CCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000335032452 285459925 /nfs/dbraw/zinc/45/99/25/285459925.db2.gz YTHAVIAIGCRSFV-WCQYABFASA-N 2 1 266.410 2.094 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H]1CCc2ccccc2NC1=O ZINC000300156114 394453102 /nfs/dbraw/zinc/45/31/02/394453102.db2.gz MFBMLSLCZNRPPI-ZBFHGGJFSA-N 2 1 289.423 2.245 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H]1CCc2ccccc2NC1=O ZINC000300156114 394453104 /nfs/dbraw/zinc/45/31/04/394453104.db2.gz MFBMLSLCZNRPPI-ZBFHGGJFSA-N 2 1 289.423 2.245 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](CCO)CC1 ZINC000421018029 394466855 /nfs/dbraw/zinc/46/68/55/394466855.db2.gz NSOYSFQGGACVDW-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421018029 394466859 /nfs/dbraw/zinc/46/68/59/394466859.db2.gz NSOYSFQGGACVDW-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421018029 394466861 /nfs/dbraw/zinc/46/68/61/394466861.db2.gz NSOYSFQGGACVDW-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP Cc1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000302352056 394474874 /nfs/dbraw/zinc/47/48/74/394474874.db2.gz BSSNUCYHTSUJRQ-AWEZNQCLSA-N 2 1 285.391 2.046 20 0 CEADMP CCc1cnc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000234251236 394482098 /nfs/dbraw/zinc/48/20/98/394482098.db2.gz YCOZNHRBKNMURT-CMPLNLGQSA-N 2 1 253.415 2.313 20 0 CEADMP CC[C@H]1C[C@@H](C[NH2+]CC2=CC[N@@H+](C)CC2)CCO1 ZINC000355686784 394502254 /nfs/dbraw/zinc/50/22/54/394502254.db2.gz VNLFRKKMBQDVNC-GJZGRUSLSA-N 2 1 252.402 2.043 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000356672830 394583795 /nfs/dbraw/zinc/58/37/95/394583795.db2.gz IODKCTFFIQXMAL-YJNKXOJESA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000309997669 394534154 /nfs/dbraw/zinc/53/41/54/394534154.db2.gz CFKAXIOEUZFVPL-HOCLYGCPSA-N 2 1 262.397 2.262 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C(C)C ZINC000248198070 394537958 /nfs/dbraw/zinc/53/79/58/394537958.db2.gz XSTPFCMGRMQPTB-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C(C)C ZINC000248198070 394537962 /nfs/dbraw/zinc/53/79/62/394537962.db2.gz XSTPFCMGRMQPTB-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)N(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C(C)C ZINC000248198070 394537964 /nfs/dbraw/zinc/53/79/64/394537964.db2.gz XSTPFCMGRMQPTB-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)N(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C(C)C ZINC000248198070 394537967 /nfs/dbraw/zinc/53/79/67/394537967.db2.gz XSTPFCMGRMQPTB-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C[NH+]1CCCCC1 ZINC000093451279 394666008 /nfs/dbraw/zinc/66/60/08/394666008.db2.gz RZGHMRNJHPDKDL-ZACQAIPSSA-N 3 1 279.472 2.373 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000334232373 394666518 /nfs/dbraw/zinc/66/65/18/394666518.db2.gz MUUSNGIRQFGYNO-DYVFJYSZSA-N 2 1 258.409 2.331 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421819691 394604695 /nfs/dbraw/zinc/60/46/95/394604695.db2.gz IMPVLKMIYWJREM-GDBMZVCRSA-N 2 1 273.424 2.260 20 0 CEADMP Fc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000261657196 394604817 /nfs/dbraw/zinc/60/48/17/394604817.db2.gz KFXVZHBKNOALJL-GXTWGEPZSA-N 2 1 285.366 2.415 20 0 CEADMP Fc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000261657196 394604820 /nfs/dbraw/zinc/60/48/20/394604820.db2.gz KFXVZHBKNOALJL-GXTWGEPZSA-N 2 1 285.366 2.415 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CCCOC1 ZINC000356905217 394648701 /nfs/dbraw/zinc/64/87/01/394648701.db2.gz URWFVXAUPSBXSG-HOTGVXAUSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000422707054 394730600 /nfs/dbraw/zinc/73/06/00/394730600.db2.gz GNWSWHJQRSSLAD-HUBLWGQQSA-N 2 1 267.392 2.144 20 0 CEADMP CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422709426 394732061 /nfs/dbraw/zinc/73/20/61/394732061.db2.gz DFWSZUNGBMGXBW-CHWSQXEVSA-N 2 1 278.444 2.230 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)[C@@H](C)O1 ZINC000414274001 394740925 /nfs/dbraw/zinc/74/09/25/394740925.db2.gz ZXLJGYAZNGJXEE-YTQIUSBHSA-N 2 1 266.429 2.262 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000335147939 394742853 /nfs/dbraw/zinc/74/28/53/394742853.db2.gz QVAISTOFNDXVNO-CABCVRRESA-N 2 1 288.435 2.484 20 0 CEADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000357006098 394679416 /nfs/dbraw/zinc/67/94/16/394679416.db2.gz NJWYMQGBNCTKFE-UHFFFAOYSA-N 2 1 290.407 2.436 20 0 CEADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357053699 394694453 /nfs/dbraw/zinc/69/44/53/394694453.db2.gz PPGFYMHZDFGNIQ-DJIMGWMZSA-N 2 1 258.409 2.407 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[C@H]1C ZINC000414110184 394705070 /nfs/dbraw/zinc/70/50/70/394705070.db2.gz HXIPHGLISQIRRP-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)c1ccsc1 ZINC000269012473 394706794 /nfs/dbraw/zinc/70/67/94/394706794.db2.gz NGBCFKNXGGUCNO-MHDGFBEUSA-N 2 1 268.426 2.100 20 0 CEADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H]1CC1(C)C ZINC000414127410 394710632 /nfs/dbraw/zinc/71/06/32/394710632.db2.gz SGDRQDADJOIMAZ-CVEARBPZSA-N 2 1 281.488 2.428 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000414139234 394714579 /nfs/dbraw/zinc/71/45/79/394714579.db2.gz IBXWXBYBNFVOEW-NPJQDHAYSA-N 2 1 266.429 2.405 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCOC[C@H]2c2ccccc2)CC[NH2+]1 ZINC000414733105 394749592 /nfs/dbraw/zinc/74/95/92/394749592.db2.gz CMRDEUIHCIIGKG-INMHGKMJSA-N 2 1 274.408 2.448 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)no1 ZINC000414194687 394727555 /nfs/dbraw/zinc/72/75/55/394727555.db2.gz UOPDZJUFRQAKLK-STQMWFEESA-N 2 1 251.374 2.366 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000422704616 394728805 /nfs/dbraw/zinc/72/88/05/394728805.db2.gz QAJMGRCJSNDLQE-VXGBXAGGSA-N 2 1 282.771 2.081 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000414750593 394750912 /nfs/dbraw/zinc/75/09/12/394750912.db2.gz YGFVMPOKCCKJQK-ZIAGYGMSSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422742635 394753390 /nfs/dbraw/zinc/75/33/90/394753390.db2.gz SEWYVMQWQXRAKW-HUBLWGQQSA-N 2 1 250.361 2.487 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000422748846 394757670 /nfs/dbraw/zinc/75/76/70/394757670.db2.gz WNMYYSGVWSXZLU-NEPJUHHUSA-N 2 1 267.392 2.103 20 0 CEADMP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000422755018 394760502 /nfs/dbraw/zinc/76/05/02/394760502.db2.gz HOOLONFZPSFAPR-QNMSZWNNSA-N 2 1 279.453 2.223 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000414955213 394822711 /nfs/dbraw/zinc/82/27/11/394822711.db2.gz LXDOHUUBLUFWBP-OCCSQVGLSA-N 2 1 262.397 2.140 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000414834674 394761269 /nfs/dbraw/zinc/76/12/69/394761269.db2.gz HKUPAJNIIHWLRL-MRXNPFEDSA-N 3 1 289.467 2.139 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414834674 394761272 /nfs/dbraw/zinc/76/12/72/394761272.db2.gz HKUPAJNIIHWLRL-MRXNPFEDSA-N 2 1 289.467 2.139 20 0 CEADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC[C@@H]3CCC[NH2+]C3)CC[NH2+]2)cc1 ZINC000414835228 394761339 /nfs/dbraw/zinc/76/13/39/394761339.db2.gz ICCJZPQJOZYIOZ-SZMVWBNQSA-N 3 1 287.451 2.459 20 0 CEADMP CC[NH2+]CCN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414835507 394761351 /nfs/dbraw/zinc/76/13/51/394761351.db2.gz UXDBDDARYMYMRK-GOEBONIOSA-N 2 1 261.413 2.021 20 0 CEADMP COCc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1F ZINC000422755709 394761967 /nfs/dbraw/zinc/76/19/67/394761967.db2.gz GDGQXVXPAQCPAR-YIONKMFJSA-N 2 1 278.371 2.345 20 0 CEADMP Cc1cc(C[NH2+][C@H](C[NH3+])CC(C)C)ccc1-n1cncn1 ZINC000414836227 394762542 /nfs/dbraw/zinc/76/25/42/394762542.db2.gz IHFKOOFFSCGGTR-HNNXBMFYSA-N 2 1 287.411 2.039 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@H]2CCC[NH2+]2)C1 ZINC000414844614 394766948 /nfs/dbraw/zinc/76/69/48/394766948.db2.gz LAFLQDMKENVXDQ-DJIMGWMZSA-N 2 1 273.424 2.164 20 0 CEADMP CN(C)CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)C(C)(C)C ZINC000422766570 394768886 /nfs/dbraw/zinc/76/88/86/394768886.db2.gz RXCGZXCJRNGUPI-NRXISQOPSA-N 2 1 269.477 2.460 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000422766895 394769851 /nfs/dbraw/zinc/76/98/51/394769851.db2.gz QJNYTEUCFRYUNY-SMDDNHRTSA-N 2 1 252.789 2.470 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422767871 394770449 /nfs/dbraw/zinc/77/04/49/394770449.db2.gz SMQQKJOIVVYOLQ-FXQLRMTLSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422767871 394770453 /nfs/dbraw/zinc/77/04/53/394770453.db2.gz SMQQKJOIVVYOLQ-FXQLRMTLSA-N 3 1 267.461 2.214 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000414854807 394772386 /nfs/dbraw/zinc/77/23/86/394772386.db2.gz VOVREQHPRLFZHB-HNNXBMFYSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414865782 394777792 /nfs/dbraw/zinc/77/77/92/394777792.db2.gz ZUMLNDDLNUXIBQ-GDBMZVCRSA-N 2 1 284.407 2.350 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000273124481 394783485 /nfs/dbraw/zinc/78/34/85/394783485.db2.gz RXAZIFHDWWBRRM-LLVKDONJSA-N 2 1 264.398 2.384 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H](C)c1nccs1 ZINC000273124481 394783488 /nfs/dbraw/zinc/78/34/88/394783488.db2.gz RXAZIFHDWWBRRM-LLVKDONJSA-N 2 1 264.398 2.384 20 0 CEADMP COc1ccc(C)cc1CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422785683 394784000 /nfs/dbraw/zinc/78/40/00/394784000.db2.gz NTMWPHFBFHOYJX-ZFWWWQNUSA-N 2 1 262.397 2.134 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccccc1Cl ZINC000422790267 394787878 /nfs/dbraw/zinc/78/78/78/394787878.db2.gz XMWNODFCGWHKLZ-BXUZGUMPSA-N 2 1 252.789 2.470 20 0 CEADMP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c(OC)c1 ZINC000422790279 394787916 /nfs/dbraw/zinc/78/79/16/394787916.db2.gz XNIAXFKKFJOONE-BBRMVZONSA-N 2 1 292.423 2.367 20 0 CEADMP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000422792502 394790415 /nfs/dbraw/zinc/79/04/15/394790415.db2.gz XCPZNZGKUGEZEY-JYJNAYRXSA-N 2 1 261.413 2.067 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422794162 394791093 /nfs/dbraw/zinc/79/10/93/394791093.db2.gz YIIYBHQATIDRBN-IRXDYDNUSA-N 3 1 273.424 2.252 20 0 CEADMP COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422796914 394793191 /nfs/dbraw/zinc/79/31/91/394793191.db2.gz ZJEJNURMDWEPQT-XEZPLFJOSA-N 2 1 278.396 2.193 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000414899355 394794951 /nfs/dbraw/zinc/79/49/51/394794951.db2.gz FQKAHCHHHBBFOH-RDJZCZTQSA-N 3 1 275.440 2.368 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000414899355 394794953 /nfs/dbraw/zinc/79/49/53/394794953.db2.gz FQKAHCHHHBBFOH-RDJZCZTQSA-N 3 1 275.440 2.368 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C2CCCCCC2)C1 ZINC000360371986 394798301 /nfs/dbraw/zinc/79/83/01/394798301.db2.gz SRBKNAHAXCBTBE-HNNXBMFYSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000360371986 394798303 /nfs/dbraw/zinc/79/83/03/394798303.db2.gz SRBKNAHAXCBTBE-HNNXBMFYSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000360371986 394798306 /nfs/dbraw/zinc/79/83/06/394798306.db2.gz SRBKNAHAXCBTBE-HNNXBMFYSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1c[nH+]ccc1N ZINC000422803748 394798700 /nfs/dbraw/zinc/79/87/00/394798700.db2.gz GMRIUSSXWPAXEG-YPMHNXCESA-N 2 1 269.348 2.148 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@@H](C)CCCC[NH3+])[nH]c2c1 ZINC000422806663 394799440 /nfs/dbraw/zinc/79/94/40/394799440.db2.gz IUIHJBFAOSPGOJ-LBPRGKRZSA-N 2 1 260.385 2.478 20 0 CEADMP COC(=O)c1ccc(Cl)c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414909084 394799786 /nfs/dbraw/zinc/79/97/86/394799786.db2.gz BWEFOCFZUBUITA-STQMWFEESA-N 2 1 296.798 2.486 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2csc(C3CC3)n2)C1 ZINC000414911082 394800994 /nfs/dbraw/zinc/80/09/94/394800994.db2.gz DJTYSWRBZIVFBN-GHMZBOCLSA-N 2 1 251.399 2.380 20 0 CEADMP CC[C@H](NCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422810499 394802429 /nfs/dbraw/zinc/80/24/29/394802429.db2.gz UKVNKULGRGPRNB-ROUUACIJSA-N 2 1 287.451 2.165 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000414919120 394803814 /nfs/dbraw/zinc/80/38/14/394803814.db2.gz WBUQSSAHMWSMAZ-XWSJACJDSA-N 2 1 299.462 2.096 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000414919120 394803818 /nfs/dbraw/zinc/80/38/18/394803818.db2.gz WBUQSSAHMWSMAZ-XWSJACJDSA-N 3 1 299.462 2.096 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000414919120 394803822 /nfs/dbraw/zinc/80/38/22/394803822.db2.gz WBUQSSAHMWSMAZ-XWSJACJDSA-N 3 1 299.462 2.096 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414937273 394811768 /nfs/dbraw/zinc/81/17/68/394811768.db2.gz XAVIHWAZFSKSIH-NWDGAFQWSA-N 2 1 297.830 2.014 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422826281 394815160 /nfs/dbraw/zinc/81/51/60/394815160.db2.gz QNPORDIKRGNUBV-ZDUSSCGKSA-N 2 1 278.444 2.231 20 0 CEADMP CCCN(CC)CC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422826281 394815163 /nfs/dbraw/zinc/81/51/63/394815163.db2.gz QNPORDIKRGNUBV-ZDUSSCGKSA-N 2 1 278.444 2.231 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414945800 394816368 /nfs/dbraw/zinc/81/63/68/394816368.db2.gz SDYQQIHEFGXLIH-ONGXEEELSA-N 2 1 284.306 2.096 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@@H](CCOC)Cc1cccc(F)c1 ZINC000414951209 394820739 /nfs/dbraw/zinc/82/07/39/394820739.db2.gz HGXYFHBOORFJIE-CJNGLKHVSA-N 2 1 282.403 2.361 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414952415 394821774 /nfs/dbraw/zinc/82/17/74/394821774.db2.gz QRSNBXASZGQQNB-IDCNUPLLSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414952415 394821776 /nfs/dbraw/zinc/82/17/76/394821776.db2.gz QRSNBXASZGQQNB-IDCNUPLLSA-N 2 1 287.451 2.237 20 0 CEADMP Cc1cc(C)c(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1C ZINC000415046753 394863004 /nfs/dbraw/zinc/86/30/04/394863004.db2.gz VJEAPQYCBZOFSK-INIZCTEOSA-N 2 1 262.397 2.080 20 0 CEADMP CC(C)c1cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000362558716 394864197 /nfs/dbraw/zinc/86/41/97/394864197.db2.gz AJFYNTDVAFUHHZ-GXTWGEPZSA-N 2 1 291.443 2.052 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415050490 394865148 /nfs/dbraw/zinc/86/51/48/394865148.db2.gz CYQXRFLIZUFFQH-SQWLQELKSA-N 2 1 268.445 2.356 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000422933650 394866200 /nfs/dbraw/zinc/86/62/00/394866200.db2.gz BSCWHYJHCVVODF-OLZOCXBDSA-N 2 1 299.212 2.297 20 0 CEADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[NH2+]C1 ZINC000415066704 394872042 /nfs/dbraw/zinc/87/20/42/394872042.db2.gz AMYGBFFWRDOBSI-CMPLNLGQSA-N 2 1 283.213 2.332 20 0 CEADMP CC1CC[NH+](CCCN[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000129796382 394873495 /nfs/dbraw/zinc/87/34/95/394873495.db2.gz RPSLMFXGWZSAQM-HZPDHXFCSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422985467 394873720 /nfs/dbraw/zinc/87/37/20/394873720.db2.gz DYJNOXCOETZXLY-ORQFMDKSSA-N 2 1 274.408 2.494 20 0 CEADMP COCCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415069624 394874524 /nfs/dbraw/zinc/87/45/24/394874524.db2.gz SRBAPMDXPUMCGI-KRWDZBQOSA-N 2 1 292.423 2.319 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415071015 394874638 /nfs/dbraw/zinc/87/46/38/394874638.db2.gz SBFNMCQOTQAAEK-DZGCQCFKSA-N 2 1 262.397 2.358 20 0 CEADMP COCCOc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000415069625 394874794 /nfs/dbraw/zinc/87/47/94/394874794.db2.gz SRBAPMDXPUMCGI-QGZVFWFLSA-N 2 1 292.423 2.319 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415073101 394875709 /nfs/dbraw/zinc/87/57/09/394875709.db2.gz NBXXVZJCEGVSRO-IUODEOHRSA-N 2 1 250.361 2.488 20 0 CEADMP CC(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCCC1 ZINC000129991541 394878383 /nfs/dbraw/zinc/87/83/83/394878383.db2.gz WSLHTZHWZOHYCV-XHSDSOJGSA-N 2 1 267.461 2.179 20 0 CEADMP CN(C)c1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422852419 394829687 /nfs/dbraw/zinc/82/96/87/394829687.db2.gz AMPRLXJGXJNNKE-OWCLPIDISA-N 2 1 288.439 2.158 20 0 CEADMP COc1cccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1OC ZINC000414969143 394830528 /nfs/dbraw/zinc/83/05/28/394830528.db2.gz JBHOREACDNOXCW-AWEZNQCLSA-N 2 1 278.396 2.182 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422855072 394831688 /nfs/dbraw/zinc/83/16/88/394831688.db2.gz DHOCQDDHVRJNFE-ILXRZTDVSA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCCN1CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422855072 394831693 /nfs/dbraw/zinc/83/16/93/394831693.db2.gz DHOCQDDHVRJNFE-ILXRZTDVSA-N 2 1 253.434 2.110 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000414974242 394832297 /nfs/dbraw/zinc/83/22/97/394832297.db2.gz DFLIHBVJOIJZFO-CQSZACIVSA-N 2 1 258.369 2.212 20 0 CEADMP C[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)[C@H]1CCC[NH2+]1 ZINC000422857574 394832488 /nfs/dbraw/zinc/83/24/88/394832488.db2.gz HABOBJPVPQLVIW-RHSMWYFYSA-N 2 1 284.407 2.145 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422857420 394832731 /nfs/dbraw/zinc/83/27/31/394832731.db2.gz HMVLKQZFIFFYHS-TWMKSMIVSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422857420 394832735 /nfs/dbraw/zinc/83/27/35/394832735.db2.gz HMVLKQZFIFFYHS-TWMKSMIVSA-N 2 1 279.472 2.371 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414976604 394833904 /nfs/dbraw/zinc/83/39/04/394833904.db2.gz IJWXPXHWYUAGKW-LLVKDONJSA-N 2 1 276.302 2.455 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CC3CC(F)(F)C3)CC[C@H]21 ZINC000336203029 394834281 /nfs/dbraw/zinc/83/42/81/394834281.db2.gz UDKABIZOADWKHJ-QWHCGFSZSA-N 2 1 258.356 2.448 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CC3CC(F)(F)C3)CC[C@H]21 ZINC000336203029 394834284 /nfs/dbraw/zinc/83/42/84/394834284.db2.gz UDKABIZOADWKHJ-QWHCGFSZSA-N 2 1 258.356 2.448 20 0 CEADMP C[C@H](C[NH2+]C[C@@H]1C[NH2+]CCN1C)CC1CCCCC1 ZINC000414979639 394834407 /nfs/dbraw/zinc/83/44/07/394834407.db2.gz UWIVXFXAFQEEEF-HOCLYGCPSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422860502 394834745 /nfs/dbraw/zinc/83/47/45/394834745.db2.gz MOZCOUXBJIXSOH-KBRIMQKVSA-N 2 1 273.424 2.453 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000361791761 394835659 /nfs/dbraw/zinc/83/56/59/394835659.db2.gz FDCMJEULUMJUBA-DJIMGWMZSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000361791761 394835663 /nfs/dbraw/zinc/83/56/63/394835663.db2.gz FDCMJEULUMJUBA-DJIMGWMZSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000361791761 394835666 /nfs/dbraw/zinc/83/56/66/394835666.db2.gz FDCMJEULUMJUBA-DJIMGWMZSA-N 2 1 279.472 2.181 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422869562 394840670 /nfs/dbraw/zinc/84/06/70/394840670.db2.gz XNGOXJFKZBRGLZ-ZIAGYGMSSA-N 2 1 290.455 2.231 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000422869562 394840673 /nfs/dbraw/zinc/84/06/73/394840673.db2.gz XNGOXJFKZBRGLZ-ZIAGYGMSSA-N 2 1 290.455 2.231 20 0 CEADMP C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422873432 394842743 /nfs/dbraw/zinc/84/27/43/394842743.db2.gz AFSVUUNRNSYDLK-YVSFHVDLSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422873432 394842745 /nfs/dbraw/zinc/84/27/45/394842745.db2.gz AFSVUUNRNSYDLK-YVSFHVDLSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422873432 394842748 /nfs/dbraw/zinc/84/27/48/394842748.db2.gz AFSVUUNRNSYDLK-YVSFHVDLSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422876594 394844897 /nfs/dbraw/zinc/84/48/97/394844897.db2.gz GLFGXOZQWGSDAN-XUWVNRHRSA-N 3 1 269.477 2.460 20 0 CEADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000422880177 394847264 /nfs/dbraw/zinc/84/72/64/394847264.db2.gz NLBABQIWDSUMMN-XUWVNRHRSA-N 3 1 269.477 2.460 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000422880177 394847265 /nfs/dbraw/zinc/84/72/65/394847265.db2.gz NLBABQIWDSUMMN-XUWVNRHRSA-N 3 1 269.477 2.460 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415019431 394851564 /nfs/dbraw/zinc/85/15/64/394851564.db2.gz VWRQPASMOGJTRG-ZDUSSCGKSA-N 2 1 287.411 2.183 20 0 CEADMP Cc1nc(C)c(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000422889674 394852007 /nfs/dbraw/zinc/85/20/07/394852007.db2.gz QDGIHGDNQUONQZ-BXKDBHETSA-N 2 1 253.415 2.033 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000129010705 394856480 /nfs/dbraw/zinc/85/64/80/394856480.db2.gz UZEHNYLJJUUHHD-HIFRSBDPSA-N 2 1 270.380 2.184 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1C(F)(F)F ZINC000415037742 394858824 /nfs/dbraw/zinc/85/88/24/394858824.db2.gz NDJGUBBVGRAVRI-PJXYFTJBSA-N 2 1 270.298 2.321 20 0 CEADMP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000415039895 394859625 /nfs/dbraw/zinc/85/96/25/394859625.db2.gz OPFQNYPHDUWWEY-OCCSQVGLSA-N 2 1 270.380 2.294 20 0 CEADMP CC(C)n1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415041236 394860643 /nfs/dbraw/zinc/86/06/43/394860643.db2.gz LFGUUXXNOYVPPH-HZPDHXFCSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415041236 394860646 /nfs/dbraw/zinc/86/06/46/394860646.db2.gz LFGUUXXNOYVPPH-HZPDHXFCSA-N 2 1 276.428 2.428 20 0 CEADMP CC[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423237233 394887804 /nfs/dbraw/zinc/88/78/04/394887804.db2.gz PSQUNOHBYWXYFV-CVEARBPZSA-N 2 1 261.413 2.021 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423268603 394889031 /nfs/dbraw/zinc/88/90/31/394889031.db2.gz GQFQLBYIGXDACY-GVDBMIGSSA-N 2 1 275.440 2.395 20 0 CEADMP C[N@H+]1CC[C@@H](NCC(C)(C)[NH3+])C[C@H]1c1ccccc1 ZINC000423283254 394889300 /nfs/dbraw/zinc/88/93/00/394889300.db2.gz FBNAEALPCXULKI-CABCVRRESA-N 2 1 261.413 2.149 20 0 CEADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423311104 394889987 /nfs/dbraw/zinc/88/99/87/394889987.db2.gz PEHTZOQDVJKFAC-SJORKVTESA-N 2 1 275.440 2.411 20 0 CEADMP C(C[NH2+]C1CC1)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423570010 394953317 /nfs/dbraw/zinc/95/33/17/394953317.db2.gz WOXKPMCVQKCVQA-ARFHVFGLSA-N 3 1 265.445 2.029 20 0 CEADMP Cc1cccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1C ZINC000415126985 394898775 /nfs/dbraw/zinc/89/87/75/394898775.db2.gz MRGNIKBRFBEMSN-QGZVFWFLSA-N 2 1 299.422 2.191 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(F)cn1 ZINC000423362536 394901542 /nfs/dbraw/zinc/90/15/42/394901542.db2.gz BEIBOLUZZJPYMM-KGYLQXTDSA-N 2 1 251.349 2.259 20 0 CEADMP COCCc1nc(C)c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)s1 ZINC000423364653 394902215 /nfs/dbraw/zinc/90/22/15/394902215.db2.gz OWSMSZIQGZVYGU-DGCLKSJQSA-N 2 1 297.468 2.433 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423365832 394902240 /nfs/dbraw/zinc/90/22/40/394902240.db2.gz BYXPQWYDXAOHFC-AIEDFZFUSA-N 2 1 264.413 2.064 20 0 CEADMP C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@@H]1C[NH3+] ZINC000415139423 394902441 /nfs/dbraw/zinc/90/24/41/394902441.db2.gz ZQNPSYHPAURZHQ-ZFWWWQNUSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@@H]1C[NH3+] ZINC000415139423 394902444 /nfs/dbraw/zinc/90/24/44/394902444.db2.gz ZQNPSYHPAURZHQ-ZFWWWQNUSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)CC[NH2+]1 ZINC000423371786 394905049 /nfs/dbraw/zinc/90/50/49/394905049.db2.gz FTBATJBCQJUQQY-PVXIVEMSSA-N 2 1 260.381 2.500 20 0 CEADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](C)[NH3+] ZINC000423374579 394905887 /nfs/dbraw/zinc/90/58/87/394905887.db2.gz XEUXMXMDACVSGC-QRJUGERDSA-N 2 1 297.487 2.088 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000364484895 394909082 /nfs/dbraw/zinc/90/90/82/394909082.db2.gz LNFXGALIVBJYHC-JKSUJKDBSA-N 2 1 295.471 2.147 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c(F)c1 ZINC000423408151 394915896 /nfs/dbraw/zinc/91/58/96/394915896.db2.gz XDCKEEFSRBEPPD-ZIBATOQPSA-N 2 1 266.360 2.483 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCC(C)(C)C3)CC2)C1 ZINC000365044621 394918388 /nfs/dbraw/zinc/91/83/88/394918388.db2.gz RJHPJCAGEKKEJA-CVEARBPZSA-N 2 1 279.472 2.277 20 0 CEADMP C([NH2+][C@@H]1CCC12CCCC2)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365059890 394918467 /nfs/dbraw/zinc/91/84/67/394918467.db2.gz BUNWMTRCQNYNQZ-RBSFLKMASA-N 2 1 264.413 2.162 20 0 CEADMP C([NH2+][C@@H]1CCC12CCCC2)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365059890 394918471 /nfs/dbraw/zinc/91/84/71/394918471.db2.gz BUNWMTRCQNYNQZ-RBSFLKMASA-N 2 1 264.413 2.162 20 0 CEADMP CN(C)c1cc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc[nH+]1 ZINC000423442651 394922168 /nfs/dbraw/zinc/92/21/68/394922168.db2.gz VELXJJUZJMUEPV-AWEZNQCLSA-N 2 1 290.411 2.384 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)C12CCC2 ZINC000423503040 394938573 /nfs/dbraw/zinc/93/85/73/394938573.db2.gz MIKCWPBEJMXJMP-QLFBSQMISA-N 2 1 266.429 2.441 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C[C@@]1(C)C[NH3+] ZINC000423505247 394939004 /nfs/dbraw/zinc/93/90/04/394939004.db2.gz GWRYQCFYVWCWKP-DGXTUMSLSA-N 2 1 278.440 2.251 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000366496999 394946490 /nfs/dbraw/zinc/94/64/90/394946490.db2.gz KZULXRKCRAQSFR-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000366496999 394946493 /nfs/dbraw/zinc/94/64/93/394946493.db2.gz KZULXRKCRAQSFR-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000366496999 394946497 /nfs/dbraw/zinc/94/64/97/394946497.db2.gz KZULXRKCRAQSFR-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340186970 394980641 /nfs/dbraw/zinc/98/06/41/394980641.db2.gz OAUJJZCZMZROBN-CVEARBPZSA-N 2 1 262.397 2.448 20 0 CEADMP CCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340186970 394980644 /nfs/dbraw/zinc/98/06/44/394980644.db2.gz OAUJJZCZMZROBN-CVEARBPZSA-N 2 1 262.397 2.448 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1nncn1C ZINC000340232984 394981579 /nfs/dbraw/zinc/98/15/79/394981579.db2.gz VWFLWLFVUQZJJN-CWRNSKLLSA-N 2 1 299.422 2.301 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CCCn2ccnn2)C[C@H]1c1ccccc1 ZINC000340353254 394983957 /nfs/dbraw/zinc/98/39/57/394983957.db2.gz IUISGEKRPCHKJC-SJORKVTESA-N 2 1 299.422 2.093 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCn2ccnn2)C[C@H]1c1ccccc1 ZINC000340353254 394983959 /nfs/dbraw/zinc/98/39/59/394983959.db2.gz IUISGEKRPCHKJC-SJORKVTESA-N 2 1 299.422 2.093 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CC2)C[C@H]1c1ccccc1 ZINC000340391145 394985451 /nfs/dbraw/zinc/98/54/51/394985451.db2.gz RIGYWNKOIGOTEQ-SQNIBIBYSA-N 2 1 288.435 2.430 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CC2)C[C@H]1c1ccccc1 ZINC000340391145 394985455 /nfs/dbraw/zinc/98/54/55/394985455.db2.gz RIGYWNKOIGOTEQ-SQNIBIBYSA-N 2 1 288.435 2.430 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000423790968 394988973 /nfs/dbraw/zinc/98/89/73/394988973.db2.gz BVLHEYMQJFVGSV-INMHGKMJSA-N 2 1 295.471 2.131 20 0 CEADMP CCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154723201 395023799 /nfs/dbraw/zinc/02/37/99/395023799.db2.gz AZPIEGLAPABCLY-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CCOCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154723201 395023802 /nfs/dbraw/zinc/02/38/02/395023802.db2.gz AZPIEGLAPABCLY-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000367614849 394966650 /nfs/dbraw/zinc/96/66/50/394966650.db2.gz JEBPQVQCLNGCEA-OAHLLOKOSA-N 2 1 276.428 2.499 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000423753539 394976250 /nfs/dbraw/zinc/97/62/50/394976250.db2.gz BXRFEMNYXFBFEM-GOEBONIOSA-N 2 1 291.439 2.313 20 0 CEADMP CC[C@@]1(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC000423757620 394977404 /nfs/dbraw/zinc/97/74/04/394977404.db2.gz IMZVOVILIYQPKN-KRWDZBQOSA-N 2 1 295.471 2.242 20 0 CEADMP COCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340208484 394980026 /nfs/dbraw/zinc/98/00/26/394980026.db2.gz JSTXESHYMQEJED-SJORKVTESA-N 2 1 292.423 2.075 20 0 CEADMP COCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340208484 394980028 /nfs/dbraw/zinc/98/00/28/394980028.db2.gz JSTXESHYMQEJED-SJORKVTESA-N 2 1 292.423 2.075 20 0 CEADMP CC1CC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000375848015 395100592 /nfs/dbraw/zinc/10/05/92/395100592.db2.gz CHRMWZCXCGNWLL-BRWVUGGUSA-N 2 1 279.472 2.181 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000375848015 395100593 /nfs/dbraw/zinc/10/05/93/395100593.db2.gz CHRMWZCXCGNWLL-BRWVUGGUSA-N 2 1 279.472 2.181 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000375848015 395100597 /nfs/dbraw/zinc/10/05/97/395100597.db2.gz CHRMWZCXCGNWLL-BRWVUGGUSA-N 2 1 279.472 2.181 20 0 CEADMP CO[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C(F)(F)F ZINC000345475028 395067609 /nfs/dbraw/zinc/06/76/09/395067609.db2.gz BMADGRZVFCNUBN-WRWGMCAJSA-N 2 1 282.350 2.272 20 0 CEADMP COCCOC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000161931452 395068374 /nfs/dbraw/zinc/06/83/74/395068374.db2.gz XYJILHWXUDXMNC-UHFFFAOYSA-N 2 1 295.427 2.099 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cn1 ZINC000425941404 395070709 /nfs/dbraw/zinc/07/07/09/395070709.db2.gz DBDKOJVOIXKBKR-OLZOCXBDSA-N 2 1 252.406 2.312 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000162210960 395071374 /nfs/dbraw/zinc/07/13/74/395071374.db2.gz YGRWHSKEJVPGOG-RDJZCZTQSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2COc3ccccc3C2)CC[N@@H+]1C ZINC000164301528 395085297 /nfs/dbraw/zinc/08/52/97/395085297.db2.gz FTNALHBGAQRCPZ-BPLDGKMQSA-N 2 1 260.381 2.062 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2COc3ccccc3C2)CC[N@H+]1C ZINC000164301528 395085302 /nfs/dbraw/zinc/08/53/02/395085302.db2.gz FTNALHBGAQRCPZ-BPLDGKMQSA-N 2 1 260.381 2.062 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2COc3ccccc3C2)CC[N@@H+]1C ZINC000164301896 395085440 /nfs/dbraw/zinc/08/54/40/395085440.db2.gz FTNALHBGAQRCPZ-AEGPPILISA-N 2 1 260.381 2.062 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2COc3ccccc3C2)CC[N@H+]1C ZINC000164301896 395085444 /nfs/dbraw/zinc/08/54/44/395085444.db2.gz FTNALHBGAQRCPZ-AEGPPILISA-N 2 1 260.381 2.062 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3C=CCCC3)C2)CC1 ZINC000375887023 395103195 /nfs/dbraw/zinc/10/31/95/395103195.db2.gz BJHVRGIWJWAHAA-DLBZAZTESA-N 2 1 277.456 2.195 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000156046523 395030744 /nfs/dbraw/zinc/03/07/44/395030744.db2.gz UJVRLAXTAJGESZ-XSCHDIRWSA-N 2 1 282.428 2.181 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000156046523 395030748 /nfs/dbraw/zinc/03/07/48/395030748.db2.gz UJVRLAXTAJGESZ-XSCHDIRWSA-N 2 1 282.428 2.181 20 0 CEADMP CCCc1csc(C[NH2+]CC2=CC[N@H+](C)CC2)n1 ZINC000494203033 395098620 /nfs/dbraw/zinc/09/86/20/395098620.db2.gz ZYNQDDNSHHXNOW-UHFFFAOYSA-N 2 1 265.426 2.447 20 0 CEADMP CCCc1csc(C[NH2+]CC2=CC[N@@H+](C)CC2)n1 ZINC000494203033 395098623 /nfs/dbraw/zinc/09/86/23/395098623.db2.gz ZYNQDDNSHHXNOW-UHFFFAOYSA-N 2 1 265.426 2.447 20 0 CEADMP COCCc1ccnc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000287369422 395039492 /nfs/dbraw/zinc/03/94/92/395039492.db2.gz HRWHIBSHBTXKJZ-LSDHHAIUSA-N 2 1 275.396 2.309 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COc3ccccc32)CC[N@H+]1C ZINC000158243500 395041179 /nfs/dbraw/zinc/04/11/79/395041179.db2.gz WMYHHUIDPTVTBR-MGPQQGTHSA-N 2 1 260.381 2.235 20 0 CEADMP CC(C)COCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000376411504 395119504 /nfs/dbraw/zinc/11/95/04/395119504.db2.gz INHMHITWGKDRFB-BZUAXINKSA-N 2 1 266.429 2.075 20 0 CEADMP CC(C)COCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000376411504 395119507 /nfs/dbraw/zinc/11/95/07/395119507.db2.gz INHMHITWGKDRFB-BZUAXINKSA-N 2 1 266.429 2.075 20 0 CEADMP CC(C)COCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000376411504 395119509 /nfs/dbraw/zinc/11/95/09/395119509.db2.gz INHMHITWGKDRFB-BZUAXINKSA-N 2 1 266.429 2.075 20 0 CEADMP CC[N@H+]1CCC[C@@H](CNCc2cncc(F)c2)C1 ZINC000494546593 395119863 /nfs/dbraw/zinc/11/98/63/395119863.db2.gz IFWVFPXMDNYOJU-LBPRGKRZSA-N 2 1 251.349 2.042 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000494546593 395119865 /nfs/dbraw/zinc/11/98/65/395119865.db2.gz IFWVFPXMDNYOJU-LBPRGKRZSA-N 2 1 251.349 2.042 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000494546593 395119869 /nfs/dbraw/zinc/11/98/69/395119869.db2.gz IFWVFPXMDNYOJU-LBPRGKRZSA-N 2 1 251.349 2.042 20 0 CEADMP CCCC[C@@H](C[NH3+])NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000417535896 395123574 /nfs/dbraw/zinc/12/35/74/395123574.db2.gz PUOMYADYWFLTSY-ZNMIVQPWSA-N 2 1 298.475 2.066 20 0 CEADMP Cc1ccsc1[C@@H](CO)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000494626602 395128393 /nfs/dbraw/zinc/12/83/93/395128393.db2.gz RCRYNTPOTHKAMC-QWHCGFSZSA-N 2 1 268.426 2.164 20 0 CEADMP Cc1ccsc1[C@@H](CO)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000494626602 395128397 /nfs/dbraw/zinc/12/83/97/395128397.db2.gz RCRYNTPOTHKAMC-QWHCGFSZSA-N 2 1 268.426 2.164 20 0 CEADMP Cc1cnc([C@H](C)[N@@H+](C)CCCn2ccnc2)cn1 ZINC000428303271 395145301 /nfs/dbraw/zinc/14/53/01/395145301.db2.gz SAWJNJYOTGPTQZ-ZDUSSCGKSA-N 2 1 259.357 2.065 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000430627232 395164972 /nfs/dbraw/zinc/16/49/72/395164972.db2.gz MUKYLHMZUZPPFL-MRXNPFEDSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(F)cc1 ZINC000430625585 395165607 /nfs/dbraw/zinc/16/56/07/395165607.db2.gz QMRBNRGJLJUJNF-WFASDCNBSA-N 2 1 293.386 2.356 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(F)cc1 ZINC000430625585 395165609 /nfs/dbraw/zinc/16/56/09/395165609.db2.gz QMRBNRGJLJUJNF-WFASDCNBSA-N 2 1 293.386 2.356 20 0 CEADMP CCn1cncc1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000418012624 395168553 /nfs/dbraw/zinc/16/85/53/395168553.db2.gz WABLPMKCKWNNOQ-AWEZNQCLSA-N 2 1 264.417 2.257 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000381017654 395171290 /nfs/dbraw/zinc/17/12/90/395171290.db2.gz LDLSVVLYASOBIY-VNQPRFMTSA-N 2 1 262.397 2.433 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCC[NH2+]1 ZINC000398232041 395231104 /nfs/dbraw/zinc/23/11/04/395231104.db2.gz XDIHJFHQNPEGPL-NJAFHUGGSA-N 2 1 287.451 2.239 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000352011697 395242595 /nfs/dbraw/zinc/24/25/95/395242595.db2.gz CLJSYLPJBSMGLP-HOTGVXAUSA-N 2 1 297.487 2.440 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000439007108 395243881 /nfs/dbraw/zinc/24/38/81/395243881.db2.gz YDZGOXKGDFULDN-RBSFLKMASA-N 2 1 270.461 2.494 20 0 CEADMP CN(C[C@@H]1CC[NH2+]C1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382762042 395183701 /nfs/dbraw/zinc/18/37/01/395183701.db2.gz KWQJTNVUDXZOLB-QZTJIDSGSA-N 2 1 287.451 2.050 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@@H]2CCOC2)CC1 ZINC000437591697 395188273 /nfs/dbraw/zinc/18/82/73/395188273.db2.gz JTTQODHMFRUWIE-CQSZACIVSA-N 2 1 254.418 2.218 20 0 CEADMP c1ccc(COC[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000384055898 395188716 /nfs/dbraw/zinc/18/87/16/395188716.db2.gz XJVYHDKAWBJRAJ-IAGOWNOFSA-N 2 1 274.408 2.135 20 0 CEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000384002927 395189466 /nfs/dbraw/zinc/18/94/66/395189466.db2.gz GMUDURJPCDVCNY-XBVQOTNRSA-N 2 1 276.424 2.038 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437846952 395199674 /nfs/dbraw/zinc/19/96/74/395199674.db2.gz SDNKRZOSAUSRQU-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437846952 395199675 /nfs/dbraw/zinc/19/96/75/395199675.db2.gz SDNKRZOSAUSRQU-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437846952 395199678 /nfs/dbraw/zinc/19/96/78/395199678.db2.gz SDNKRZOSAUSRQU-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CO[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000400249288 395251756 /nfs/dbraw/zinc/25/17/56/395251756.db2.gz NGRQFFDAUDNWEW-JALIKCBVSA-N 2 1 252.402 2.016 20 0 CEADMP CCc1cnc(C[N@H+]2CCC[C@H](CC[NH3+])C2)s1 ZINC000394733359 395209381 /nfs/dbraw/zinc/20/93/81/395209381.db2.gz UBRBALYQQPSZAI-LLVKDONJSA-N 2 1 253.415 2.266 20 0 CEADMP Cc1cccc(N2CCC([NH2+]CC[C@@H]3CCOC3)CC2)[nH+]1 ZINC000438190479 395210439 /nfs/dbraw/zinc/21/04/39/395210439.db2.gz NAYOMNILWOZGKL-OAHLLOKOSA-N 2 1 289.423 2.375 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433328662 395224526 /nfs/dbraw/zinc/22/45/26/395224526.db2.gz WPLKQBUBXAZXAD-LBPRGKRZSA-N 2 1 274.368 2.101 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433328662 395224533 /nfs/dbraw/zinc/22/45/33/395224533.db2.gz WPLKQBUBXAZXAD-LBPRGKRZSA-N 2 1 274.368 2.101 20 0 CEADMP CCc1cc(N2CCC[C@H](C)[C@H]2CC[NH3+])nc(C)[nH+]1 ZINC000404351770 395282706 /nfs/dbraw/zinc/28/27/06/395282706.db2.gz JQUCOEOOOCQXNH-SMDDNHRTSA-N 2 1 262.401 2.301 20 0 CEADMP CCc1cc(NC[C@@H]([NH3+])c2ccccc2CC)nc(C)[nH+]1 ZINC000420271970 395286253 /nfs/dbraw/zinc/28/62/53/395286253.db2.gz HUIRKLJTHHBISZ-MRXNPFEDSA-N 2 1 284.407 2.444 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187023396 395297990 /nfs/dbraw/zinc/29/79/90/395297990.db2.gz YSVSFPWMZYPCOX-QWHCGFSZSA-N 2 1 256.459 2.450 20 0 CEADMP COc1cccc(OCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000420292594 395299538 /nfs/dbraw/zinc/29/95/38/395299538.db2.gz PPZNRRRJFDSTLF-MRXNPFEDSA-N 2 1 280.412 2.379 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420295031 395300930 /nfs/dbraw/zinc/30/09/30/395300930.db2.gz BVAQMQMILKJPHL-XHSDSOJGSA-N 2 1 295.471 2.003 20 0 CEADMP COc1ccc([C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420296728 395302089 /nfs/dbraw/zinc/30/20/89/395302089.db2.gz DRFCTLFSCRIZEM-GDBMZVCRSA-N 2 1 274.408 2.484 20 0 CEADMP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440159242 395303325 /nfs/dbraw/zinc/30/33/25/395303325.db2.gz VCMVYTWPODDAMR-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP c1ccc([C@@H]2CCC[N@H+](CCN3CC[NH2+]CC3)CC2)cc1 ZINC000420298541 395304519 /nfs/dbraw/zinc/30/45/19/395304519.db2.gz HPLQGCFLZPKGKQ-GOSISDBHSA-N 2 1 287.451 2.161 20 0 CEADMP CC1=CCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353667631 395306155 /nfs/dbraw/zinc/30/61/55/395306155.db2.gz CNWWAZZDSRPIIN-BBWFWOEESA-N 2 1 277.456 2.101 20 0 CEADMP CC1=CC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353667631 395306158 /nfs/dbraw/zinc/30/61/58/395306158.db2.gz CNWWAZZDSRPIIN-BBWFWOEESA-N 2 1 277.456 2.101 20 0 CEADMP CC1=CC[NH+](CCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353667631 395306161 /nfs/dbraw/zinc/30/61/61/395306161.db2.gz CNWWAZZDSRPIIN-BBWFWOEESA-N 2 1 277.456 2.101 20 0 CEADMP CC1=CC[N@H+](CCN[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353667631 395306166 /nfs/dbraw/zinc/30/61/66/395306166.db2.gz CNWWAZZDSRPIIN-BBWFWOEESA-N 2 1 277.456 2.101 20 0 CEADMP CC1=CC[N@@H+](CCN[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353667631 395306169 /nfs/dbraw/zinc/30/61/69/395306169.db2.gz CNWWAZZDSRPIIN-BBWFWOEESA-N 2 1 277.456 2.101 20 0 CEADMP CC[C@H]1CC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420306009 395310800 /nfs/dbraw/zinc/31/08/00/395310800.db2.gz QFTYVZNKAFHIDU-ZFWWWQNUSA-N 2 1 262.397 2.469 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000440265480 395310977 /nfs/dbraw/zinc/31/09/77/395310977.db2.gz IERILXSGKYEIBO-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440265480 395310981 /nfs/dbraw/zinc/31/09/81/395310981.db2.gz IERILXSGKYEIBO-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cs1 ZINC000420306776 395310880 /nfs/dbraw/zinc/31/08/80/395310880.db2.gz BISYTHIEPANLIU-KGLIPLIRSA-N 2 1 250.411 2.365 20 0 CEADMP CCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440265480 395310985 /nfs/dbraw/zinc/31/09/85/395310985.db2.gz IERILXSGKYEIBO-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP C(C[N@@H+](C[C@H]1CCCO1)C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000420311899 395314670 /nfs/dbraw/zinc/31/46/70/395314670.db2.gz WGBUUGSXKNHWHL-GOEBONIOSA-N 2 1 266.429 2.410 20 0 CEADMP COC1CCC([N@@H+](C)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420310008 395315306 /nfs/dbraw/zinc/31/53/06/395315306.db2.gz URNGKRVDOAVQDC-WLYUNCDWSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H](C)C(C)C ZINC000420313247 395316656 /nfs/dbraw/zinc/31/66/56/395316656.db2.gz XULQANCBWBSDIV-PVAVHDDUSA-N 2 1 278.440 2.284 20 0 CEADMP CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H](C)C(C)C ZINC000420313247 395316658 /nfs/dbraw/zinc/31/66/58/395316658.db2.gz XULQANCBWBSDIV-PVAVHDDUSA-N 2 1 278.440 2.284 20 0 CEADMP CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H](C)C(C)C ZINC000420313247 395316661 /nfs/dbraw/zinc/31/66/61/395316661.db2.gz XULQANCBWBSDIV-PVAVHDDUSA-N 2 1 278.440 2.284 20 0 CEADMP COC(=O)[C@@H](c1ccsc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420317997 395321576 /nfs/dbraw/zinc/32/15/76/395321576.db2.gz VHJFNYHVPVAVLS-DGCLKSJQSA-N 2 1 282.409 2.023 20 0 CEADMP COC(=O)[C@@H](c1ccsc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420317997 395321579 /nfs/dbraw/zinc/32/15/79/395321579.db2.gz VHJFNYHVPVAVLS-DGCLKSJQSA-N 2 1 282.409 2.023 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420321667 395323287 /nfs/dbraw/zinc/32/32/87/395323287.db2.gz RLCXPRPNECPTKB-HZSPNIEDSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420321667 395323290 /nfs/dbraw/zinc/32/32/90/395323290.db2.gz RLCXPRPNECPTKB-HZSPNIEDSA-N 2 1 289.423 2.245 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000412413693 395357311 /nfs/dbraw/zinc/35/73/11/395357311.db2.gz TZXWFZVOEZUKFR-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000412413693 395357318 /nfs/dbraw/zinc/35/73/18/395357318.db2.gz TZXWFZVOEZUKFR-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000412413693 395357323 /nfs/dbraw/zinc/35/73/23/395357323.db2.gz TZXWFZVOEZUKFR-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCc1nc2ccccc2n1C ZINC000420371749 395358451 /nfs/dbraw/zinc/35/84/51/395358451.db2.gz PQFXSOHGELFFMC-PBFPGSCMSA-N 2 1 286.423 2.092 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000355144336 395360493 /nfs/dbraw/zinc/36/04/93/395360493.db2.gz SVRLZIFYYBJKQB-CVEARBPZSA-N 2 1 297.487 2.390 20 0 CEADMP CC(C)COCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420393116 395367249 /nfs/dbraw/zinc/36/72/49/395367249.db2.gz JNJUXKRSQTWTRG-LSDHHAIUSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@@H+](CC(=O)NCC1([NH+](C)C)CCCCCC1)C1CC1 ZINC000441281955 395384833 /nfs/dbraw/zinc/38/48/33/395384833.db2.gz GEIOPCRXZFEBSU-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1cc(N(C)C[C@H]2CCC[N@H+]2C)nc(C(C)C)n1 ZINC000420633956 395394762 /nfs/dbraw/zinc/39/47/62/395394762.db2.gz JVMMIWHXFVWOJP-CYBMUJFWSA-N 2 1 262.401 2.439 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCCCC1CCCCC1 ZINC000442779006 395394990 /nfs/dbraw/zinc/39/49/90/395394990.db2.gz LIFIIFUSTUEHLC-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCCCC1CCCCC1 ZINC000442779006 395394991 /nfs/dbraw/zinc/39/49/91/395394991.db2.gz LIFIIFUSTUEHLC-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP Cn1c2ccccc2nc1C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420325992 395328141 /nfs/dbraw/zinc/32/81/41/395328141.db2.gz WXXAGONGOMRCHZ-CQSZACIVSA-N 2 1 286.423 2.395 20 0 CEADMP CC(C)(C)c1noc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420336130 395334476 /nfs/dbraw/zinc/33/44/76/395334476.db2.gz VKZBPSDVFUCKTI-CHWSQXEVSA-N 2 1 292.427 2.189 20 0 CEADMP CC(C)(C)c1noc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420336130 395334481 /nfs/dbraw/zinc/33/44/81/395334481.db2.gz VKZBPSDVFUCKTI-CHWSQXEVSA-N 2 1 292.427 2.189 20 0 CEADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420351017 395339892 /nfs/dbraw/zinc/33/98/92/395339892.db2.gz ITUWYSFDDASXIX-CHWSQXEVSA-N 2 1 256.777 2.043 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCN1CC(F)F ZINC000420361199 395348551 /nfs/dbraw/zinc/34/85/51/395348551.db2.gz MWZQEDDIWDNPDO-CQSZACIVSA-N 2 1 289.414 2.037 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000420363982 395350483 /nfs/dbraw/zinc/35/04/83/395350483.db2.gz ONBQBISJBWEWTK-OAHLLOKOSA-N 2 1 275.396 2.123 20 0 CEADMP C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364123 395350608 /nfs/dbraw/zinc/35/06/08/395350608.db2.gz CQIKHAMEMIKCMT-FUHWJXTLSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364123 395350615 /nfs/dbraw/zinc/35/06/15/395350615.db2.gz CQIKHAMEMIKCMT-FUHWJXTLSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364123 395350619 /nfs/dbraw/zinc/35/06/19/395350619.db2.gz CQIKHAMEMIKCMT-FUHWJXTLSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364123 395350627 /nfs/dbraw/zinc/35/06/27/395350627.db2.gz CQIKHAMEMIKCMT-FUHWJXTLSA-N 2 1 291.483 2.325 20 0 CEADMP C(C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364123 395350629 /nfs/dbraw/zinc/35/06/29/395350629.db2.gz CQIKHAMEMIKCMT-FUHWJXTLSA-N 2 1 291.483 2.325 20 0 CEADMP C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364123 395350635 /nfs/dbraw/zinc/35/06/35/395350635.db2.gz CQIKHAMEMIKCMT-FUHWJXTLSA-N 2 1 291.483 2.325 20 0 CEADMP C(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364123 395350640 /nfs/dbraw/zinc/35/06/40/395350640.db2.gz CQIKHAMEMIKCMT-FUHWJXTLSA-N 2 1 291.483 2.325 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCOCC2CCC2)CC1 ZINC000445436806 395463468 /nfs/dbraw/zinc/46/34/68/395463468.db2.gz VJFYNCBMMNCORY-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCOCC2CCC2)CC1 ZINC000445436806 395463471 /nfs/dbraw/zinc/46/34/71/395463471.db2.gz VJFYNCBMMNCORY-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)C[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000445406073 395463867 /nfs/dbraw/zinc/46/38/67/395463867.db2.gz VZFMNJWYZQBWJC-IXDOHACOSA-N 2 1 281.488 2.379 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](Cc3nccn3C)C2)CCO1 ZINC000355364952 395423417 /nfs/dbraw/zinc/42/34/17/395423417.db2.gz FFEWDWGRQCWJIP-OAGGEKHMSA-N 2 1 291.439 2.490 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CCO[C@H]2CCCCO2)C1 ZINC000444643002 395442698 /nfs/dbraw/zinc/44/26/98/395442698.db2.gz BRMKFFBGENONOD-SJORKVTESA-N 2 1 296.455 2.193 20 0 CEADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000444643002 395442701 /nfs/dbraw/zinc/44/27/01/395442701.db2.gz BRMKFFBGENONOD-SJORKVTESA-N 2 1 296.455 2.193 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000444643002 395442702 /nfs/dbraw/zinc/44/27/02/395442702.db2.gz BRMKFFBGENONOD-SJORKVTESA-N 2 1 296.455 2.193 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000444643002 395442705 /nfs/dbraw/zinc/44/27/05/395442705.db2.gz BRMKFFBGENONOD-SJORKVTESA-N 2 1 296.455 2.193 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000444643002 395442706 /nfs/dbraw/zinc/44/27/06/395442706.db2.gz BRMKFFBGENONOD-SJORKVTESA-N 2 1 296.455 2.193 20 0 CEADMP OC1(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCC1 ZINC000567891372 395539726 /nfs/dbraw/zinc/53/97/26/395539726.db2.gz CEIJJBUACJIPHI-AWEZNQCLSA-N 2 1 294.464 2.465 20 0 CEADMP OC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCC1 ZINC000567891372 395539730 /nfs/dbraw/zinc/53/97/30/395539730.db2.gz CEIJJBUACJIPHI-AWEZNQCLSA-N 2 1 294.464 2.465 20 0 CEADMP C[C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1C ZINC000446909427 395502048 /nfs/dbraw/zinc/50/20/48/395502048.db2.gz YOYRNQWNYYXTQJ-WCQYABFASA-N 2 1 295.452 2.022 20 0 CEADMP CC[NH+](Cc1ccccc1C)C[C@H](O)C[N@@H+](C)CC ZINC000573309869 395605078 /nfs/dbraw/zinc/60/50/78/395605078.db2.gz CLHKHGRMCDKSHV-MRXNPFEDSA-N 2 1 264.413 2.130 20 0 CEADMP CC[NH+](Cc1ccccc1C)C[C@H](O)C[N@H+](C)CC ZINC000573309869 395605080 /nfs/dbraw/zinc/60/50/80/395605080.db2.gz CLHKHGRMCDKSHV-MRXNPFEDSA-N 2 1 264.413 2.130 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)Cc1ccccc1C ZINC000573309869 395605081 /nfs/dbraw/zinc/60/50/81/395605081.db2.gz CLHKHGRMCDKSHV-MRXNPFEDSA-N 2 1 264.413 2.130 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)Cc1ccccc1C ZINC000573309869 395605083 /nfs/dbraw/zinc/60/50/83/395605083.db2.gz CLHKHGRMCDKSHV-MRXNPFEDSA-N 2 1 264.413 2.130 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)CC2CCCC2)CCCO1 ZINC000569214955 395575071 /nfs/dbraw/zinc/57/50/71/395575071.db2.gz ZSOGNIJGZYEIIB-WBVHZDCISA-N 2 1 298.471 2.018 20 0 CEADMP Fc1ccccc1OCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574400829 395629205 /nfs/dbraw/zinc/62/92/05/395629205.db2.gz YQXXSPYYUBJDAR-MRXNPFEDSA-N 2 1 278.371 2.280 20 0 CEADMP Fc1ccccc1OCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574400829 395629207 /nfs/dbraw/zinc/62/92/07/395629207.db2.gz YQXXSPYYUBJDAR-MRXNPFEDSA-N 2 1 278.371 2.280 20 0 CEADMP CCc1cc(N[C@@H]2CCc3[nH]cnc3C2)nc(C)n1 ZINC000574733456 395636079 /nfs/dbraw/zinc/63/60/79/395636079.db2.gz XXEQTUGPNBRIAX-LLVKDONJSA-N 2 1 257.341 2.040 20 0 CEADMP Cc1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)ccc1C[NH+](C)C ZINC000458272610 395640834 /nfs/dbraw/zinc/64/08/34/395640834.db2.gz WJOARRIZAGHKIA-CZUORRHYSA-N 2 1 289.423 2.193 20 0 CEADMP CC[N@@H+](CC(=O)Nc1ccc(C[NH+](C)C)c(C)c1)C1CC1 ZINC000458269084 395641029 /nfs/dbraw/zinc/64/10/29/395641029.db2.gz GXKRPUWLBMCPCO-UHFFFAOYSA-N 2 1 289.423 2.479 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCSC2)[C@H](c2ccccc2)C1 ZINC000647344337 395707099 /nfs/dbraw/zinc/70/70/99/395707099.db2.gz OKJKZWMVHFXOQO-PMPSAXMXSA-N 2 1 276.449 2.427 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000647509947 395724067 /nfs/dbraw/zinc/72/40/67/395724067.db2.gz GZEBLNVWDRGUDP-STQMWFEESA-N 2 1 288.395 2.158 20 0 CEADMP C[NH2+]C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000647495567 395721301 /nfs/dbraw/zinc/72/13/01/395721301.db2.gz JKVXMONPKXWPBD-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP CC[C@H]1C[N@@H+](CCCc2ccc(C)nc2)CC[C@H]1[NH3+] ZINC000647497314 395721740 /nfs/dbraw/zinc/72/17/40/395721740.db2.gz COUVFUJMQVIPMP-JKSUJKDBSA-N 2 1 261.413 2.382 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)CC[C@@H]1[NH3+] ZINC000647498172 395722302 /nfs/dbraw/zinc/72/23/02/395722302.db2.gz CAKYJWHKCYTJDG-HIFRSBDPSA-N 2 1 261.413 2.312 20 0 CEADMP COc1ccc([C@@H](CC(C)C)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000647288892 395698009 /nfs/dbraw/zinc/69/80/09/395698009.db2.gz UHNNWZYPHPGSTF-DOTOQJQBSA-N 2 1 294.439 2.295 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647542269 395730808 /nfs/dbraw/zinc/73/08/08/395730808.db2.gz BJERMMBWFMSOGB-VNQPRFMTSA-N 2 1 274.408 2.340 20 0 CEADMP c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647544179 395731462 /nfs/dbraw/zinc/73/14/62/395731462.db2.gz XUNMSGUMWSWONZ-HUUCEWRRSA-N 2 1 259.397 2.293 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@H](CC[NH3+])C3)c2c1C ZINC000647707435 395747570 /nfs/dbraw/zinc/74/75/70/395747570.db2.gz OAKVNUXLSNHPGH-GFCCVEGCSA-N 2 1 273.384 2.140 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000647788006 395754382 /nfs/dbraw/zinc/75/43/82/395754382.db2.gz BONDOGTUGUHFPH-OVYGPGRDSA-N 3 1 279.472 2.085 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000647788006 395754384 /nfs/dbraw/zinc/75/43/84/395754384.db2.gz BONDOGTUGUHFPH-OVYGPGRDSA-N 3 1 279.472 2.085 20 0 CEADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCCc2ccc(F)cc21 ZINC000647836262 395761949 /nfs/dbraw/zinc/76/19/49/395761949.db2.gz ZLUNBSCXLJHXHZ-KRWDZBQOSA-N 2 1 291.414 2.040 20 0 CEADMP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000647883526 395768753 /nfs/dbraw/zinc/76/87/53/395768753.db2.gz ZLSUIJCZTGTYSF-LSDHHAIUSA-N 2 1 289.423 2.335 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000647883526 395768756 /nfs/dbraw/zinc/76/87/56/395768756.db2.gz ZLSUIJCZTGTYSF-LSDHHAIUSA-N 2 1 289.423 2.335 20 0 CEADMP OCCCC[N@@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000647884913 395769157 /nfs/dbraw/zinc/76/91/57/395769157.db2.gz JWIXNODVEVPQRS-UHFFFAOYSA-N 2 1 254.418 2.003 20 0 CEADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647886689 395769287 /nfs/dbraw/zinc/76/92/87/395769287.db2.gz KGZGMXRPVNYPIM-ZFWWWQNUSA-N 2 1 290.382 2.330 20 0 CEADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647886689 395769289 /nfs/dbraw/zinc/76/92/89/395769289.db2.gz KGZGMXRPVNYPIM-ZFWWWQNUSA-N 2 1 290.382 2.330 20 0 CEADMP Fc1cccc(CC[N@@H+](C[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000647885808 395769381 /nfs/dbraw/zinc/76/93/81/395769381.db2.gz SPFBSWQOWKNEFB-AWEZNQCLSA-N 2 1 262.372 2.442 20 0 CEADMP COC[C@@H](C)C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000648068336 395825044 /nfs/dbraw/zinc/82/50/44/395825044.db2.gz SFAGMEOIMYVSSF-UAGQMJEPSA-N 2 1 276.424 2.204 20 0 CEADMP CCc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)o1 ZINC000648071600 395825764 /nfs/dbraw/zinc/82/57/64/395825764.db2.gz KCYNSJHOSMRCCO-UHFFFAOYSA-N 2 1 278.396 2.139 20 0 CEADMP CCc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)o1 ZINC000648071600 395825765 /nfs/dbraw/zinc/82/57/65/395825765.db2.gz KCYNSJHOSMRCCO-UHFFFAOYSA-N 2 1 278.396 2.139 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000648139954 395844166 /nfs/dbraw/zinc/84/41/66/395844166.db2.gz TXOAOHAZMONBLP-STQMWFEESA-N 2 1 280.416 2.030 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000648147505 395845808 /nfs/dbraw/zinc/84/58/08/395845808.db2.gz IVMGDCXRNKKLOO-KGLIPLIRSA-N 2 1 292.427 2.045 20 0 CEADMP Cc1noc([C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647976486 395793528 /nfs/dbraw/zinc/79/35/28/395793528.db2.gz PHTZUIKJYFWKRG-IACUBPJLSA-N 2 1 278.400 2.151 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978018 395794107 /nfs/dbraw/zinc/79/41/07/395794107.db2.gz LATRUEMNOCGVTO-MSOLQXFVSA-N 3 1 293.499 2.478 20 0 CEADMP C(C1CC[NH2+]CC1)[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000648404407 395902389 /nfs/dbraw/zinc/90/23/89/395902389.db2.gz HGTZSOQEHNCSSL-AWEZNQCLSA-N 2 1 290.411 2.474 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000648404407 395902390 /nfs/dbraw/zinc/90/23/90/395902390.db2.gz HGTZSOQEHNCSSL-AWEZNQCLSA-N 2 1 290.411 2.474 20 0 CEADMP Cc1nc2cc(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)ccc2n1C ZINC000648803438 395988685 /nfs/dbraw/zinc/98/86/85/395988685.db2.gz SVBRICOVTJTQNU-ZWNOBZJWSA-N 2 1 286.379 2.160 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+](CC34CCC(CC3)C4)CC2)C1 ZINC000649382175 396135403 /nfs/dbraw/zinc/13/54/03/396135403.db2.gz ROOSFDOXWNUHTO-ADKAHSJRSA-N 2 1 291.483 2.279 20 0 CEADMP CC[C@@H]1C[N@@H+](CCN(C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000649416634 396149452 /nfs/dbraw/zinc/14/94/52/396149452.db2.gz GYERFTYBSKLLBC-ZBFHGGJFSA-N 2 1 261.413 2.182 20 0 CEADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCCOC1 ZINC000649755316 396250344 /nfs/dbraw/zinc/25/03/44/396250344.db2.gz KRUAVNIJASCTQR-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCCOC1 ZINC000649755316 396250348 /nfs/dbraw/zinc/25/03/48/396250348.db2.gz KRUAVNIJASCTQR-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CCO)c1ccccc1F ZINC000646069490 396282702 /nfs/dbraw/zinc/28/27/02/396282702.db2.gz DYSXMMMTKYMEBN-INIZCTEOSA-N 2 1 291.370 2.434 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CO1 ZINC000647170223 396427576 /nfs/dbraw/zinc/42/75/76/396427576.db2.gz QENYUTCRZUBUTJ-PBHICJAKSA-N 2 1 274.408 2.202 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CO1 ZINC000647170223 396427578 /nfs/dbraw/zinc/42/75/78/396427578.db2.gz QENYUTCRZUBUTJ-PBHICJAKSA-N 2 1 274.408 2.202 20 0 CEADMP C[C@H](C[NH2+]Cc1ccnn1-c1ccccn1)C[NH+]1CCCC1 ZINC000647172805 396428379 /nfs/dbraw/zinc/42/83/79/396428379.db2.gz JODKZHLCYWEBAD-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP CC[C@@H](C)[C@H](C)[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000154455234 289145995 /nfs/dbraw/zinc/14/59/95/289145995.db2.gz AXBQQWIRQSHUIR-CVEARBPZSA-N 2 1 269.477 2.428 20 0 CEADMP CC1CCC(O)(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000336603372 400357739 /nfs/dbraw/zinc/35/77/39/400357739.db2.gz MQXUTNHDHYCQRF-AQFXKWCLSA-N 2 1 280.456 2.345 20 0 CEADMP CC1CCC(O)(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000336603372 400357780 /nfs/dbraw/zinc/35/77/80/400357780.db2.gz MQXUTNHDHYCQRF-AQFXKWCLSA-N 2 1 280.456 2.345 20 0 CEADMP CC1CCC(O)(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000336603372 400357781 /nfs/dbraw/zinc/35/77/81/400357781.db2.gz MQXUTNHDHYCQRF-AQFXKWCLSA-N 2 1 280.456 2.345 20 0 CEADMP CCOC(CCC[NH2+]Cc1c[nH+]ccc1N(C)C)OCC ZINC000273612075 285985981 /nfs/dbraw/zinc/98/59/81/285985981.db2.gz OUZDXNGJBISMEE-UHFFFAOYSA-N 2 1 295.427 2.417 20 0 CEADMP Cc1ccncc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708087 400998601 /nfs/dbraw/zinc/99/86/01/400998601.db2.gz SWUGUTCASGXWOG-UAGQMJEPSA-N 2 1 289.423 2.108 20 0 CEADMP CC[C@H](C)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707391 400998850 /nfs/dbraw/zinc/99/88/50/400998850.db2.gz FBNUWMXKMXROOE-BYNSBNAKSA-N 2 1 254.418 2.251 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)nc1 ZINC000650708212 401000064 /nfs/dbraw/zinc/00/00/64/401000064.db2.gz VKQJPAVTEDVLPR-UXLLHSPISA-N 2 1 289.423 2.108 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2cccc3c2OCO3)[C@H]1CC[NH3+] ZINC000650710932 401001818 /nfs/dbraw/zinc/00/18/18/401001818.db2.gz DCAYBPYEXYDKFQ-JSGCOSHPSA-N 2 1 276.380 2.365 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cccc3c2OCO3)[C@@H]1CC[NH3+] ZINC000650710934 401002049 /nfs/dbraw/zinc/00/20/49/401002049.db2.gz DCAYBPYEXYDKFQ-TZMCWYRMSA-N 2 1 276.380 2.365 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000650740335 401017132 /nfs/dbraw/zinc/01/71/32/401017132.db2.gz KXOWAGLCQVPFQD-GVDBMIGSSA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000650740335 401017136 /nfs/dbraw/zinc/01/71/36/401017136.db2.gz KXOWAGLCQVPFQD-GVDBMIGSSA-N 3 1 281.488 2.475 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000650740335 401017139 /nfs/dbraw/zinc/01/71/39/401017139.db2.gz KXOWAGLCQVPFQD-GVDBMIGSSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1c[nH+]ccc1N ZINC000650747600 401024627 /nfs/dbraw/zinc/02/46/27/401024627.db2.gz DCXSSFHZBGTUNI-WCQYABFASA-N 2 1 268.364 2.182 20 0 CEADMP CC[C@]1(C)CCC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000651686041 401372115 /nfs/dbraw/zinc/37/21/15/401372115.db2.gz NPRSOLMUUWBNBF-JKSUJKDBSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651982759 401427654 /nfs/dbraw/zinc/42/76/54/401427654.db2.gz HRYIMFDTGNUNRG-BPLDGKMQSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@@H+](CCCNC(=O)NCC(C)(C)[NH3+])C1CCCCC1 ZINC000652208959 401464404 /nfs/dbraw/zinc/46/44/04/401464404.db2.gz VXPGMBKQSVRHPM-UHFFFAOYSA-N 2 1 298.475 2.068 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC000652348090 401490465 /nfs/dbraw/zinc/49/04/65/401490465.db2.gz UIMOHAQINWYMLV-ZNMIVQPWSA-N 2 1 252.402 2.005 20 0 CEADMP CCO[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C[NH3+] ZINC000652356846 401493204 /nfs/dbraw/zinc/49/32/04/401493204.db2.gz LACDCMNFACFUME-HUUCEWRRSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCCCO2)[C@@H]1CC[NH3+] ZINC000652355901 401493311 /nfs/dbraw/zinc/49/33/11/401493311.db2.gz LVONPLUJVWYRQQ-RBSFLKMASA-N 2 1 254.418 2.395 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)[C@H]1CC[NH3+] ZINC000652355898 401493509 /nfs/dbraw/zinc/49/35/09/401493509.db2.gz LVONPLUJVWYRQQ-ILXRZTDVSA-N 2 1 254.418 2.395 20 0 CEADMP CCCCOCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652361632 401494126 /nfs/dbraw/zinc/49/41/26/401494126.db2.gz LFSMMPZPSACIHO-BZUAXINKSA-N 2 1 284.444 2.164 20 0 CEADMP CO[C@](C)(C[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000310936184 286146090 /nfs/dbraw/zinc/14/60/90/286146090.db2.gz GAXUANDLYJKVHS-OAHLLOKOSA-N 2 1 252.402 2.018 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352545126 286187040 /nfs/dbraw/zinc/18/70/40/286187040.db2.gz GEMXXXVQBCNAJN-CYBMUJFWSA-N 2 1 264.369 2.104 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352545126 286187041 /nfs/dbraw/zinc/18/70/41/286187041.db2.gz GEMXXXVQBCNAJN-CYBMUJFWSA-N 2 1 264.369 2.104 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@H]1CCCOC1 ZINC000527740597 297743747 /nfs/dbraw/zinc/74/37/47/297743747.db2.gz VVCKJBCXIKSTMC-CYBMUJFWSA-N 2 1 263.385 2.054 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000360701677 155355795 /nfs/dbraw/zinc/35/57/95/155355795.db2.gz GHJDVWWQUUGVIC-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1c[nH+]ccc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000192522774 153210907 /nfs/dbraw/zinc/21/09/07/153210907.db2.gz QSGOAEMUHSHLNC-HNNXBMFYSA-N 2 1 293.436 2.010 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194025966 153245769 /nfs/dbraw/zinc/24/57/69/153245769.db2.gz KFUBVWQCGHWZGM-DTZQCDIJSA-N 2 1 289.423 2.375 20 0 CEADMP COc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1F ZINC000228411183 153361823 /nfs/dbraw/zinc/36/18/23/153361823.db2.gz KWFMPEPYECCGAP-UHFFFAOYSA-N 2 1 252.333 2.066 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000347084595 154300630 /nfs/dbraw/zinc/30/06/30/154300630.db2.gz ARCVVXSEDMUHFU-LBPRGKRZSA-N 2 1 288.370 2.257 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000347084595 154300636 /nfs/dbraw/zinc/30/06/36/154300636.db2.gz ARCVVXSEDMUHFU-LBPRGKRZSA-N 2 1 288.370 2.257 20 0 CEADMP CCC[C@H](CCO)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352751391 154333236 /nfs/dbraw/zinc/33/32/36/154333236.db2.gz UUSWDSNVHOTWQT-GFCCVEGCSA-N 2 1 285.457 2.093 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000354868520 154352982 /nfs/dbraw/zinc/35/29/82/154352982.db2.gz DMBMODGXGBQTNZ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@@H+](CCOCC[NH3+])[C@@H]1CCc2ccccc2C1 ZINC000357075752 154371057 /nfs/dbraw/zinc/37/10/57/154371057.db2.gz OGLCQDHZGCEHRS-QGZVFWFLSA-N 2 1 276.424 2.231 20 0 CEADMP CC(C)COc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359456466 155021617 /nfs/dbraw/zinc/02/16/17/155021617.db2.gz GOCLOUVSAZJYSS-HOTGVXAUSA-N 2 1 274.408 2.373 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000359742867 155124990 /nfs/dbraw/zinc/12/49/90/155124990.db2.gz LFZNPYZJDXKKDD-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000359742867 155124992 /nfs/dbraw/zinc/12/49/92/155124992.db2.gz LFZNPYZJDXKKDD-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000359742867 155124994 /nfs/dbraw/zinc/12/49/94/155124994.db2.gz LFZNPYZJDXKKDD-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP c1ccc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)nc1 ZINC000363259589 156018913 /nfs/dbraw/zinc/01/89/13/156018913.db2.gz PHFRAMKKZPAEJB-HYVNUMGLSA-N 2 1 271.408 2.040 20 0 CEADMP c1ccc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)nc1 ZINC000363259589 156018918 /nfs/dbraw/zinc/01/89/18/156018918.db2.gz PHFRAMKKZPAEJB-HYVNUMGLSA-N 2 1 271.408 2.040 20 0 CEADMP c1ccc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)nc1 ZINC000363259589 156018923 /nfs/dbraw/zinc/01/89/23/156018923.db2.gz PHFRAMKKZPAEJB-HYVNUMGLSA-N 2 1 271.408 2.040 20 0 CEADMP CC(C)OCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363561155 156029271 /nfs/dbraw/zinc/02/92/71/156029271.db2.gz WBGGSLJUOANBMO-PMPSAXMXSA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)OCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363561155 156029274 /nfs/dbraw/zinc/02/92/74/156029274.db2.gz WBGGSLJUOANBMO-PMPSAXMXSA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)OCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363561155 156029278 /nfs/dbraw/zinc/02/92/78/156029278.db2.gz WBGGSLJUOANBMO-PMPSAXMXSA-N 2 1 266.429 2.218 20 0 CEADMP Cn1cc(C[C@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)cn1 ZINC000363880521 156047248 /nfs/dbraw/zinc/04/72/48/156047248.db2.gz VOQJVZFJXXLKEV-NVXWUHKLSA-N 2 1 290.455 2.159 20 0 CEADMP Cn1cc(C[C@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000363880521 156047250 /nfs/dbraw/zinc/04/72/50/156047250.db2.gz VOQJVZFJXXLKEV-NVXWUHKLSA-N 2 1 290.455 2.159 20 0 CEADMP Cn1cc(C[C@H]2CC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)cn1 ZINC000363880521 156047252 /nfs/dbraw/zinc/04/72/52/156047252.db2.gz VOQJVZFJXXLKEV-NVXWUHKLSA-N 2 1 290.455 2.159 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1(C)C ZINC000363951475 156054076 /nfs/dbraw/zinc/05/40/76/156054076.db2.gz HCSHJNWTIUBCPZ-FXUDXRNXSA-N 2 1 296.455 2.031 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1(C)C ZINC000363951475 156054077 /nfs/dbraw/zinc/05/40/77/156054077.db2.gz HCSHJNWTIUBCPZ-FXUDXRNXSA-N 2 1 296.455 2.031 20 0 CEADMP Cc1nc(CN2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)no1 ZINC000367311420 156167523 /nfs/dbraw/zinc/16/75/23/156167523.db2.gz YCEMDJLFFWBWCE-ZDUSSCGKSA-N 2 1 290.411 2.074 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000375686756 157123947 /nfs/dbraw/zinc/12/39/47/157123947.db2.gz FWIHHORTIXFLRI-MSOLQXFVSA-N 2 1 299.418 2.290 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000375686756 157123950 /nfs/dbraw/zinc/12/39/50/157123950.db2.gz FWIHHORTIXFLRI-MSOLQXFVSA-N 2 1 299.418 2.290 20 0 CEADMP Cc1nccn1CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000375863611 157152115 /nfs/dbraw/zinc/15/21/15/157152115.db2.gz XKYCSCWJBZXENI-GVDBMIGSSA-N 2 1 290.455 2.434 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000375863611 157152120 /nfs/dbraw/zinc/15/21/20/157152120.db2.gz XKYCSCWJBZXENI-GVDBMIGSSA-N 3 1 290.455 2.434 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000375863611 157152122 /nfs/dbraw/zinc/15/21/22/157152122.db2.gz XKYCSCWJBZXENI-GVDBMIGSSA-N 3 1 290.455 2.434 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000376209003 157197205 /nfs/dbraw/zinc/19/72/05/157197205.db2.gz HWUONCROOACTTA-KFWWJZLASA-N 2 1 275.396 2.129 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158653225 162309547 /nfs/dbraw/zinc/30/95/47/162309547.db2.gz JHZBYUANDJOITJ-SQWLQELKSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158653225 162309550 /nfs/dbraw/zinc/30/95/50/162309550.db2.gz JHZBYUANDJOITJ-SQWLQELKSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158653225 162309555 /nfs/dbraw/zinc/30/95/55/162309555.db2.gz JHZBYUANDJOITJ-SQWLQELKSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158653225 162309558 /nfs/dbraw/zinc/30/95/58/162309558.db2.gz JHZBYUANDJOITJ-SQWLQELKSA-N 2 1 295.471 2.096 20 0 CEADMP O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000168531538 162366633 /nfs/dbraw/zinc/36/66/33/162366633.db2.gz FEQGCKACWPMPQC-GJZGRUSLSA-N 2 1 293.455 2.042 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000558697569 298600440 /nfs/dbraw/zinc/60/04/40/298600440.db2.gz JSAYCOHJYYUBJX-OCCSQVGLSA-N 2 1 253.365 2.471 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCOC1 ZINC000153696349 287059779 /nfs/dbraw/zinc/05/97/79/287059779.db2.gz OPOZQKWCIUMCME-MGPQQGTHSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCOC1 ZINC000153696349 287059783 /nfs/dbraw/zinc/05/97/83/287059783.db2.gz OPOZQKWCIUMCME-MGPQQGTHSA-N 2 1 252.402 2.018 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCO2)[C@H](C)C1 ZINC000167046694 165035814 /nfs/dbraw/zinc/03/58/14/165035814.db2.gz DFZDMDISXAQJFZ-IKGGRYGDSA-N 2 1 298.471 2.282 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173618720 165079902 /nfs/dbraw/zinc/07/99/02/165079902.db2.gz WHGOZOPIYFKBKK-ZIAGYGMSSA-N 2 1 283.460 2.142 20 0 CEADMP C[N@H+](CCCO)C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000176931904 165181622 /nfs/dbraw/zinc/18/16/22/165181622.db2.gz LREOWGANPFNIQE-UHFFFAOYSA-N 2 1 283.803 2.018 20 0 CEADMP C[N@@H+](CCCO)C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000176931904 165181624 /nfs/dbraw/zinc/18/16/24/165181624.db2.gz LREOWGANPFNIQE-UHFFFAOYSA-N 2 1 283.803 2.018 20 0 CEADMP CCCO[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000178972612 165267322 /nfs/dbraw/zinc/26/73/22/165267322.db2.gz IPAYASIZDRRNTM-OAHLLOKOSA-N 2 1 254.418 2.267 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000181714787 165354131 /nfs/dbraw/zinc/35/41/31/165354131.db2.gz VLVOLUZBMAROFH-MELADBBJSA-N 2 1 256.434 2.102 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000181748868 165355873 /nfs/dbraw/zinc/35/58/73/165355873.db2.gz BYTFRWCIJDWWSX-DZKIICNBSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000181748868 165355874 /nfs/dbraw/zinc/35/58/74/165355874.db2.gz BYTFRWCIJDWWSX-DZKIICNBSA-N 2 1 299.422 2.401 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCN1CC(F)F ZINC000414705142 287199311 /nfs/dbraw/zinc/19/93/11/287199311.db2.gz LDEWLXBPPCTXJD-MELADBBJSA-N 2 1 289.414 2.036 20 0 CEADMP c1cc2c(cc1C[NH2+]CCC[NH+]1CCCC1)OCCO2 ZINC000020129183 171017169 /nfs/dbraw/zinc/01/71/69/171017169.db2.gz WVPFJEOABNFUQG-UHFFFAOYSA-N 2 1 276.380 2.033 20 0 CEADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000020523964 171236961 /nfs/dbraw/zinc/23/69/61/171236961.db2.gz ZSHZDBWWWQLBKK-DKUMPPAJSA-N 2 1 277.412 2.097 20 0 CEADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000020523964 171236962 /nfs/dbraw/zinc/23/69/62/171236962.db2.gz ZSHZDBWWWQLBKK-DKUMPPAJSA-N 2 1 277.412 2.097 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055125531 287267577 /nfs/dbraw/zinc/26/75/77/287267577.db2.gz NOTCOXKWTPGCSE-PMPSAXMXSA-N 2 1 295.471 2.275 20 0 CEADMP CC(C)N1CCC([NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000037221483 173040280 /nfs/dbraw/zinc/04/02/80/173040280.db2.gz MJYHBOJBVVPTDX-AWEZNQCLSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000040667164 174366999 /nfs/dbraw/zinc/36/69/99/174366999.db2.gz UJKFATNYZFCCBG-MBNYWOFBSA-N 2 1 276.380 2.234 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000040667164 174367001 /nfs/dbraw/zinc/36/70/01/174367001.db2.gz UJKFATNYZFCCBG-MBNYWOFBSA-N 2 1 276.380 2.234 20 0 CEADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2)[C@@H]1C[NH3+] ZINC000070177735 414767624 /nfs/dbraw/zinc/76/76/24/414767624.db2.gz XIHKPCJDLRUHIT-UKRRQHHQSA-N 2 1 275.396 2.074 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)[C@@H]1C[NH3+] ZINC000070177735 414767629 /nfs/dbraw/zinc/76/76/29/414767629.db2.gz XIHKPCJDLRUHIT-UKRRQHHQSA-N 2 1 275.396 2.074 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)CC[C@@H]1[NH3+] ZINC000122248463 414789408 /nfs/dbraw/zinc/78/94/08/414789408.db2.gz JPVGLGYNMWAHPZ-KGLIPLIRSA-N 2 1 276.380 2.017 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)CC[C@@H]1[NH3+] ZINC000122248463 414789411 /nfs/dbraw/zinc/78/94/11/414789411.db2.gz JPVGLGYNMWAHPZ-KGLIPLIRSA-N 2 1 276.380 2.017 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)[C@@H]1CC[NH3+] ZINC000404271833 414778007 /nfs/dbraw/zinc/77/80/07/414778007.db2.gz LCVALVCIUPIKRO-UKRRQHHQSA-N 2 1 290.407 2.407 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404341063 414780264 /nfs/dbraw/zinc/78/02/64/414780264.db2.gz DUXQEJLTZGTTRG-XHSDSOJGSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCOCC(F)(F)F)[C@H]1CC[NH3+] ZINC000404385470 414783580 /nfs/dbraw/zinc/78/35/80/414783580.db2.gz WAICBRYPSKFGNK-RYUDHWBXSA-N 2 1 282.350 2.405 20 0 CEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650725104 414747924 /nfs/dbraw/zinc/74/79/24/414747924.db2.gz TUHFKNNUXJIMPB-QMIVOQANSA-N 2 1 252.402 2.003 20 0 CEADMP CCO[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000405272617 414792623 /nfs/dbraw/zinc/79/26/23/414792623.db2.gz VTXCGXYBKATIMQ-TZMCWYRMSA-N 2 1 268.788 2.136 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000405272617 414792627 /nfs/dbraw/zinc/79/26/27/414792627.db2.gz VTXCGXYBKATIMQ-TZMCWYRMSA-N 2 1 268.788 2.136 20 0 CEADMP CCO[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)C[C@H]1C[NH3+] ZINC000405429932 414794416 /nfs/dbraw/zinc/79/44/16/414794416.db2.gz HNJVOJJDMOOZRP-NVXWUHKLSA-N 2 1 285.391 2.030 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@H]1C[NH3+] ZINC000405429932 414794422 /nfs/dbraw/zinc/79/44/22/414794422.db2.gz HNJVOJJDMOOZRP-NVXWUHKLSA-N 2 1 285.391 2.030 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CCOC(C)(C)C2)CCCC1 ZINC000132047229 414820546 /nfs/dbraw/zinc/82/05/46/414820546.db2.gz ATTFJRLDLAMBQM-ZDUSSCGKSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC[C@@H](C)c2ccccc2)CCO1 ZINC000132552577 414822797 /nfs/dbraw/zinc/82/27/97/414822797.db2.gz WMXFYFRTQWSEDW-FMKPAKJESA-N 2 1 262.397 2.228 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC[C@@H](C)c2ccccc2)CCO1 ZINC000132552577 414822800 /nfs/dbraw/zinc/82/28/00/414822800.db2.gz WMXFYFRTQWSEDW-FMKPAKJESA-N 2 1 262.397 2.228 20 0 CEADMP c1n[nH]cc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000660530501 414860183 /nfs/dbraw/zinc/86/01/83/414860183.db2.gz GXOAHHZZDSAHOR-UHFFFAOYSA-N 2 1 293.374 2.280 20 0 CEADMP Cc1cccc2[nH]c(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc21 ZINC000657327900 414863091 /nfs/dbraw/zinc/86/30/91/414863091.db2.gz ZODBIZBVYKYVRT-OAHLLOKOSA-N 2 1 287.407 2.023 20 0 CEADMP Cc1c[nH]c(CN[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000657327375 414863151 /nfs/dbraw/zinc/86/31/51/414863151.db2.gz KUOPQWWNMXNSDX-SCRDCRAPSA-N 2 1 264.417 2.174 20 0 CEADMP C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663344015 414921100 /nfs/dbraw/zinc/92/11/00/414921100.db2.gz MCMMSCZTQWBIQZ-SQNIBIBYSA-N 2 1 291.483 2.325 20 0 CEADMP C(N[C@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344015 414921107 /nfs/dbraw/zinc/92/11/07/414921107.db2.gz MCMMSCZTQWBIQZ-SQNIBIBYSA-N 2 1 291.483 2.325 20 0 CEADMP C(N[C@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344015 414921113 /nfs/dbraw/zinc/92/11/13/414921113.db2.gz MCMMSCZTQWBIQZ-SQNIBIBYSA-N 2 1 291.483 2.325 20 0 CEADMP C([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663344015 414921119 /nfs/dbraw/zinc/92/11/19/414921119.db2.gz MCMMSCZTQWBIQZ-SQNIBIBYSA-N 3 1 291.483 2.325 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663344015 414921123 /nfs/dbraw/zinc/92/11/23/414921123.db2.gz MCMMSCZTQWBIQZ-SQNIBIBYSA-N 3 1 291.483 2.325 20 0 CEADMP C([NH2+][C@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344015 414921127 /nfs/dbraw/zinc/92/11/27/414921127.db2.gz MCMMSCZTQWBIQZ-SQNIBIBYSA-N 3 1 291.483 2.325 20 0 CEADMP C([NH2+][C@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344015 414921130 /nfs/dbraw/zinc/92/11/30/414921130.db2.gz MCMMSCZTQWBIQZ-SQNIBIBYSA-N 3 1 291.483 2.325 20 0 CEADMP CCc1ncc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663343655 414921666 /nfs/dbraw/zinc/92/16/66/414921666.db2.gz AJNMAKQAARXXNN-OAHLLOKOSA-N 2 1 288.439 2.251 20 0 CEADMP CCc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663343655 414921672 /nfs/dbraw/zinc/92/16/72/414921672.db2.gz AJNMAKQAARXXNN-OAHLLOKOSA-N 2 1 288.439 2.251 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347468 414923663 /nfs/dbraw/zinc/92/36/63/414923663.db2.gz LPTKQHFMBQMYGO-HNNXBMFYSA-N 2 1 276.428 2.238 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347468 414923665 /nfs/dbraw/zinc/92/36/65/414923665.db2.gz LPTKQHFMBQMYGO-HNNXBMFYSA-N 2 1 276.428 2.238 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000660661221 414923715 /nfs/dbraw/zinc/92/37/15/414923715.db2.gz BVYVGVXIBSBWRV-KZNAEPCWSA-N 2 1 293.499 2.382 20 0 CEADMP C[C@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000663368296 414931517 /nfs/dbraw/zinc/93/15/17/414931517.db2.gz CWQWXVFGPRKTGY-RDJZCZTQSA-N 2 1 288.435 2.259 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000653176255 414936658 /nfs/dbraw/zinc/93/66/58/414936658.db2.gz OBGLIWOYEKXXQP-XHSDSOJGSA-N 2 1 295.471 2.001 20 0 CEADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCC[N@H+](C)CC(C)C ZINC000653175891 414937123 /nfs/dbraw/zinc/93/71/23/414937123.db2.gz FFQVTQSGFCIFET-MRXNPFEDSA-N 2 1 291.439 2.089 20 0 CEADMP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000314704124 414870771 /nfs/dbraw/zinc/87/07/71/414870771.db2.gz HCGXHZXLSIOHJD-OWCLPIDISA-N 2 1 286.419 2.484 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C1CCCC1 ZINC000660616129 414899136 /nfs/dbraw/zinc/89/91/36/414899136.db2.gz GZJUIGCXJPPIJN-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)C1CCCC1 ZINC000660616129 414899141 /nfs/dbraw/zinc/89/91/41/414899141.db2.gz GZJUIGCXJPPIJN-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)C1CCCC1 ZINC000660616129 414899148 /nfs/dbraw/zinc/89/91/48/414899148.db2.gz GZJUIGCXJPPIJN-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657491104 414972282 /nfs/dbraw/zinc/97/22/82/414972282.db2.gz BUAOZRRMOCYRBD-AWEZNQCLSA-N 2 1 276.428 2.115 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H]1CC1(C)C ZINC000660823994 414991227 /nfs/dbraw/zinc/99/12/27/414991227.db2.gz IYOIYVUJIQPWQO-RDBSUJKOSA-N 2 1 256.434 2.102 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNCc1ccnn1-c1cc[nH+]cc1 ZINC000657466244 414954219 /nfs/dbraw/zinc/95/42/19/414954219.db2.gz SFNOEZQXGZBIAF-INIZCTEOSA-N 2 1 299.422 2.231 20 0 CEADMP C([NH2+][C@@H]1COC2(CCC2)C1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466105 414962677 /nfs/dbraw/zinc/96/26/77/414962677.db2.gz OCAXPXQRQSWGFR-HOTGVXAUSA-N 2 1 278.440 2.410 20 0 CEADMP C([NH2+][C@H]1CCCOCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470267 414965470 /nfs/dbraw/zinc/96/54/70/414965470.db2.gz UHYLVPNZKVYGJK-HOTGVXAUSA-N 2 1 266.429 2.267 20 0 CEADMP CC1(C)[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1(F)F ZINC000657738965 415066555 /nfs/dbraw/zinc/06/65/55/415066555.db2.gz OXPSSNZWUURPCT-WOPDTQHZSA-N 2 1 258.356 2.494 20 0 CEADMP C[N@H+]1CCC[C@H]2CN(c3[nH+]ccc4[nH]ccc43)CC[C@H]21 ZINC000663722736 415028315 /nfs/dbraw/zinc/02/83/15/415028315.db2.gz SRCWUJIFKWKXMR-SWLSCSKDSA-N 2 1 270.380 2.483 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1C1CCC1 ZINC000660907925 415030909 /nfs/dbraw/zinc/03/09/09/415030909.db2.gz WIHRUBAJNTZFRZ-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000660907925 415030912 /nfs/dbraw/zinc/03/09/12/415030912.db2.gz WIHRUBAJNTZFRZ-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000660907925 415030917 /nfs/dbraw/zinc/03/09/17/415030917.db2.gz WIHRUBAJNTZFRZ-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657842298 415103742 /nfs/dbraw/zinc/10/37/42/415103742.db2.gz ANNPTHWGDOKAGE-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COC(C)(C)C2)[C@@H]2CCC[C@H]21 ZINC000658056989 415179959 /nfs/dbraw/zinc/17/99/59/415179959.db2.gz DRXHFUFCWCUXOF-XDQVBPFNSA-N 2 1 252.402 2.016 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000655273724 415168195 /nfs/dbraw/zinc/16/81/95/415168195.db2.gz MPOGTOFXNCQCJF-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000044389303 175170733 /nfs/dbraw/zinc/17/07/33/175170733.db2.gz GNLQRIIJJYVAIF-KRWDZBQOSA-N 2 1 276.424 2.356 20 0 CEADMP C[C@H]1C[N@@H+](CCNc2[nH+]ccc3[nH]ccc32)[C@@H](C)CO1 ZINC000664243413 415238250 /nfs/dbraw/zinc/23/82/50/415238250.db2.gz SJGGDGKSQJQFTJ-RYUDHWBXSA-N 2 1 274.368 2.084 20 0 CEADMP Cc1ccnc(NCC[N@@H+](C)CCC[NH+](C)C)c1Cl ZINC000664247933 415241621 /nfs/dbraw/zinc/24/16/21/415241621.db2.gz KMLVWWLMXKKFDX-UHFFFAOYSA-N 2 1 284.835 2.339 20 0 CEADMP Cc1ccnc(NCC[N@H+](C)CCC[NH+](C)C)c1Cl ZINC000664247933 415241627 /nfs/dbraw/zinc/24/16/27/415241627.db2.gz KMLVWWLMXKKFDX-UHFFFAOYSA-N 2 1 284.835 2.339 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000661490198 415284359 /nfs/dbraw/zinc/28/43/59/415284359.db2.gz DINIBQSJQQFPAB-DZGCQCFKSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C)[C@H]1CCO ZINC000661490198 415284361 /nfs/dbraw/zinc/28/43/61/415284361.db2.gz DINIBQSJQQFPAB-DZGCQCFKSA-N 2 1 265.401 2.065 20 0 CEADMP C[C@H]([NH2+]C/C=C\CO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658141362 415226178 /nfs/dbraw/zinc/22/61/78/415226178.db2.gz VDBAZRRKYIJHQR-HXHJPBPVSA-N 2 1 274.408 2.035 20 0 CEADMP OC/C=C/C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658139419 415228322 /nfs/dbraw/zinc/22/83/22/415228322.db2.gz PLHJGYJYQWLQJC-ITKOMUTFSA-N 2 1 286.419 2.320 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2(C)C)[C@@H]2CCC[C@@H]21 ZINC000658329402 415317270 /nfs/dbraw/zinc/31/72/70/415317270.db2.gz FMEDIGFIEXZKIE-AJNGGQMLSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000655694740 415395518 /nfs/dbraw/zinc/39/55/18/415395518.db2.gz KWFAZXPKKQZNHJ-AWEZNQCLSA-N 2 1 280.437 2.399 20 0 CEADMP Fc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655680319 415381955 /nfs/dbraw/zinc/38/19/55/415381955.db2.gz JXICIWZLDPNNGN-MRXNPFEDSA-N 2 1 278.371 2.169 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826966 415500135 /nfs/dbraw/zinc/50/01/35/415500135.db2.gz KAOSUQNEXHKENB-KDYLLFBJSA-N 2 1 299.422 2.006 20 0 CEADMP COCCC(C)(C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655755045 415438712 /nfs/dbraw/zinc/43/87/12/415438712.db2.gz MCSLGVRPLYCTRT-MRXNPFEDSA-N 2 1 298.471 2.282 20 0 CEADMP C[NH+](C)CCC[C@@H]1CN(c2cc[nH+]cc2Cl)CCO1 ZINC000664657665 415444801 /nfs/dbraw/zinc/44/48/01/415444801.db2.gz MQCBWQVNNBYVDH-GFCCVEGCSA-N 2 1 283.803 2.282 20 0 CEADMP FC1(F)CC(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655769944 415448175 /nfs/dbraw/zinc/44/81/75/415448175.db2.gz SURVPFUIOZSRTK-AWEZNQCLSA-N 2 1 288.382 2.265 20 0 CEADMP CC/C=C\C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772441 415451340 /nfs/dbraw/zinc/45/13/40/415451340.db2.gz IOGHNFHVPADUHE-ABCZVMIZSA-N 2 1 252.402 2.186 20 0 CEADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000655778488 415458491 /nfs/dbraw/zinc/45/84/91/415458491.db2.gz MUSHYYBNPVJFJS-OCVGTWLNSA-N 2 1 264.413 2.018 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]CC(C)(C)c2ccccc2)CC1 ZINC000655790410 415469932 /nfs/dbraw/zinc/46/99/32/415469932.db2.gz BHDYVUWLRVDFRR-UHFFFAOYSA-N 2 1 290.451 2.401 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC[N@H+]1C ZINC000655848984 415516840 /nfs/dbraw/zinc/51/68/40/415516840.db2.gz NGGAUTIGQJGOBQ-KLHDSHLOSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH+]1C ZINC000655848984 415516854 /nfs/dbraw/zinc/51/68/54/415516854.db2.gz NGGAUTIGQJGOBQ-KLHDSHLOSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN3CCCC[C@H]23)CCN1C ZINC000655848984 415516859 /nfs/dbraw/zinc/51/68/59/415516859.db2.gz NGGAUTIGQJGOBQ-KLHDSHLOSA-N 2 1 265.445 2.076 20 0 CEADMP C(C[N@H+]1CCC[C@H](OC2CCC2)C1)[C@H]1CC[NH2+]C1 ZINC000655947652 415558621 /nfs/dbraw/zinc/55/86/21/415558621.db2.gz USAZEFHPRLMRQH-HIFRSBDPSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCO1 ZINC000665251206 415650440 /nfs/dbraw/zinc/65/04/40/415650440.db2.gz JXFPFTLLONAQJU-RKTXRCNFSA-N 2 1 274.408 2.289 20 0 CEADMP CCc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc[nH+]1 ZINC000656225976 415651000 /nfs/dbraw/zinc/65/10/00/415651000.db2.gz KCCOTHJLOYPYGI-CVEARBPZSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1cnc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000656199978 415633625 /nfs/dbraw/zinc/63/36/25/415633625.db2.gz HVXHFCNZGKWUTR-GDBMZVCRSA-N 2 1 261.413 2.361 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000665236803 415637467 /nfs/dbraw/zinc/63/74/67/415637467.db2.gz UWCAKAZNKLJJRP-IHRRRGAJSA-N 2 1 253.434 2.109 20 0 CEADMP c1cnc(N2CCCC2)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000665236438 415639515 /nfs/dbraw/zinc/63/95/15/415639515.db2.gz MXPAWCVATPUBBO-XYPWUTKMSA-N 2 1 286.423 2.054 20 0 CEADMP C[NH+](C)[C@H]1C[C@@H](CNc2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000656211591 415644747 /nfs/dbraw/zinc/64/47/47/415644747.db2.gz GPQOYPXWEPJBRJ-OKILXGFUSA-N 2 1 289.427 2.219 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CC1CCC1 ZINC000662157528 415660991 /nfs/dbraw/zinc/66/09/91/415660991.db2.gz PSXSNRHFASWILW-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662157528 415660996 /nfs/dbraw/zinc/66/09/96/415660996.db2.gz PSXSNRHFASWILW-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662157528 415661000 /nfs/dbraw/zinc/66/10/00/415661000.db2.gz PSXSNRHFASWILW-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000662155498 415661413 /nfs/dbraw/zinc/66/14/13/415661413.db2.gz JPZUOWZLNXQZTQ-CRAIPNDOSA-N 2 1 288.435 2.321 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1CC1CCC1)C1CC1 ZINC000662155943 415662202 /nfs/dbraw/zinc/66/22/02/415662202.db2.gz IXCFQDJVUDKEON-DLBZAZTESA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1CC1CCC1)C1CC1 ZINC000662155943 415662208 /nfs/dbraw/zinc/66/22/08/415662208.db2.gz IXCFQDJVUDKEON-DLBZAZTESA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@H]1CC1CCC1)C1CC1 ZINC000662155943 415662213 /nfs/dbraw/zinc/66/22/13/415662213.db2.gz IXCFQDJVUDKEON-DLBZAZTESA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@H]1CC1CCC1)C1CC1 ZINC000662155943 415662218 /nfs/dbraw/zinc/66/22/18/415662218.db2.gz IXCFQDJVUDKEON-DLBZAZTESA-N 2 1 280.456 2.486 20 0 CEADMP Cc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662161342 415664390 /nfs/dbraw/zinc/66/43/90/415664390.db2.gz SGMNHYBCUCWJFY-QGZVFWFLSA-N 2 1 274.408 2.026 20 0 CEADMP Cc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662161342 415664398 /nfs/dbraw/zinc/66/43/98/415664398.db2.gz SGMNHYBCUCWJFY-QGZVFWFLSA-N 2 1 274.408 2.026 20 0 CEADMP CC[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)[C@@H]1CCC[NH2+]1 ZINC000665271865 415665447 /nfs/dbraw/zinc/66/54/47/415665447.db2.gz UAYOKKMBSANJQO-JYJNAYRXSA-N 2 1 259.397 2.376 20 0 CEADMP CCCCO[C@@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1(C)C ZINC000665278365 415670224 /nfs/dbraw/zinc/67/02/24/415670224.db2.gz CBOCPQLHKSNNAH-MYMJJRTCSA-N 2 1 266.429 2.312 20 0 CEADMP CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(C)c1 ZINC000665292952 415678115 /nfs/dbraw/zinc/67/81/15/415678115.db2.gz NECHMJUFGVKDLG-AWEZNQCLSA-N 2 1 286.379 2.190 20 0 CEADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291630 415680592 /nfs/dbraw/zinc/68/05/92/415680592.db2.gz GZLVVNNCIGSQKH-BXUZGUMPSA-N 2 1 298.390 2.287 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCc2ccccc21 ZINC000662197138 415680780 /nfs/dbraw/zinc/68/07/80/415680780.db2.gz RIJFXWRWPBHGSA-IAGOWNOFSA-N 2 1 290.451 2.349 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000662197138 415680784 /nfs/dbraw/zinc/68/07/84/415680784.db2.gz RIJFXWRWPBHGSA-IAGOWNOFSA-N 2 1 290.451 2.349 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000662197138 415680789 /nfs/dbraw/zinc/68/07/89/415680789.db2.gz RIJFXWRWPBHGSA-IAGOWNOFSA-N 2 1 290.451 2.349 20 0 CEADMP CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(C)cc1 ZINC000665290623 415680855 /nfs/dbraw/zinc/68/08/55/415680855.db2.gz FTLHBSDSRACMQL-CQSZACIVSA-N 2 1 286.379 2.190 20 0 CEADMP C[NH2+]C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000665296844 415682776 /nfs/dbraw/zinc/68/27/76/415682776.db2.gz YREUZTCPBXHCBE-ZOBUZTSGSA-N 2 1 275.440 2.095 20 0 CEADMP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000665304417 415690463 /nfs/dbraw/zinc/69/04/63/415690463.db2.gz ZRPDVIBEHWFAQH-QKPAOTATSA-N 2 1 295.471 2.238 20 0 CEADMP CO[C@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)C1CCCC1 ZINC000662234832 415697610 /nfs/dbraw/zinc/69/76/10/415697610.db2.gz NWBLDPCWJIDDII-MRXNPFEDSA-N 2 1 266.429 2.408 20 0 CEADMP CCC1(CC)CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255398 415718478 /nfs/dbraw/zinc/71/84/78/415718478.db2.gz OYXQZOKYVJLFKL-ZDUSSCGKSA-N 2 1 252.402 2.020 20 0 CEADMP CC[N@@H+](Cc1c(F)cccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257802 415723642 /nfs/dbraw/zinc/72/36/42/415723642.db2.gz QEFHOXQAXQFQAC-GFCCVEGCSA-N 2 1 296.361 2.308 20 0 CEADMP CC[N@H+](Cc1c(F)cccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257802 415723648 /nfs/dbraw/zinc/72/36/48/415723648.db2.gz QEFHOXQAXQFQAC-GFCCVEGCSA-N 2 1 296.361 2.308 20 0 CEADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H](CC(F)(F)F)O1 ZINC000662231720 415699305 /nfs/dbraw/zinc/69/93/05/415699305.db2.gz RKSQGIQCLKFYFB-CMPLNLGQSA-N 2 1 280.334 2.028 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1Cl ZINC000662242399 415705021 /nfs/dbraw/zinc/70/50/21/415705021.db2.gz DTPXUKDBLNFMSB-SNVBAGLBSA-N 2 1 254.761 2.129 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1Cl ZINC000662242399 415705028 /nfs/dbraw/zinc/70/50/28/415705028.db2.gz DTPXUKDBLNFMSB-SNVBAGLBSA-N 2 1 254.761 2.129 20 0 CEADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662275569 415743789 /nfs/dbraw/zinc/74/37/89/415743789.db2.gz FIIMFYDIKYCGMV-MSOLQXFVSA-N 2 1 299.462 2.086 20 0 CEADMP c1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c2c(c1)C[NH2+]CC2 ZINC000662277952 415746763 /nfs/dbraw/zinc/74/67/63/415746763.db2.gz YMIFNCXWDAAPQC-APWZRJJASA-N 3 1 299.462 2.296 20 0 CEADMP c1cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c2c(c1)C[NH2+]CC2 ZINC000662277952 415746769 /nfs/dbraw/zinc/74/67/69/415746769.db2.gz YMIFNCXWDAAPQC-APWZRJJASA-N 2 1 299.462 2.296 20 0 CEADMP COC[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC000659868357 415747154 /nfs/dbraw/zinc/74/71/54/415747154.db2.gz ZWFSJAWBGDZFKV-IAGOWNOFSA-N 2 1 298.471 2.092 20 0 CEADMP c1ccc([C@@H]2CCC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662283348 415748091 /nfs/dbraw/zinc/74/80/91/415748091.db2.gz IIGUSDOBLPTOBB-IAGOWNOFSA-N 2 1 286.419 2.387 20 0 CEADMP CC[N@@H+](CCC[NH2+]C)CCOc1ccccc1OC ZINC000662322497 415777871 /nfs/dbraw/zinc/77/78/71/415777871.db2.gz MSFRNTLLVLWGIV-UHFFFAOYSA-N 2 1 266.385 2.005 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1)[C@H]1CC[NH2+]C1 ZINC000662317639 415778110 /nfs/dbraw/zinc/77/81/10/415778110.db2.gz YLCFVAPEOKGDQT-BZUAXINKSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)N1CCC[C@@H]([N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])C1=O ZINC000662317063 415774190 /nfs/dbraw/zinc/77/41/90/415774190.db2.gz ZJFLVQZEAMRMKK-BZUAXINKSA-N 2 1 295.471 2.225 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000659874886 415753235 /nfs/dbraw/zinc/75/32/35/415753235.db2.gz UAJLADCRNKPPDF-BBWFWOEESA-N 2 1 279.472 2.134 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])C1CCC1 ZINC000662284287 415753202 /nfs/dbraw/zinc/75/32/02/415753202.db2.gz GVEZFMRJRHNJIJ-VHDGCEQUSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccccc1 ZINC000656540536 415753281 /nfs/dbraw/zinc/75/32/81/415753281.db2.gz KVVMGIRRUSXBAA-AWEZNQCLSA-N 2 1 292.427 2.080 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccccc1 ZINC000656540536 415753286 /nfs/dbraw/zinc/75/32/86/415753286.db2.gz KVVMGIRRUSXBAA-AWEZNQCLSA-N 2 1 292.427 2.080 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC2CC=CC2)C1 ZINC000662284135 415753537 /nfs/dbraw/zinc/75/35/37/415753537.db2.gz LRZZKBKYPXLJOX-OWCLPIDISA-N 2 1 264.413 2.313 20 0 CEADMP CC(C)n1ncnc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292643 415755929 /nfs/dbraw/zinc/75/59/29/415755929.db2.gz GTCQZPSSMNFQRG-OAHLLOKOSA-N 2 1 291.443 2.071 20 0 CEADMP C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000662292337 415756910 /nfs/dbraw/zinc/75/69/10/415756910.db2.gz DVLWBLFGFZUISV-DOTOQJQBSA-N 3 1 279.472 2.088 20 0 CEADMP Cc1noc([C@@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662296825 415758224 /nfs/dbraw/zinc/75/82/24/415758224.db2.gz NPHRBFLPUSEHEB-BXUZGUMPSA-N 2 1 278.400 2.151 20 0 CEADMP Nc1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662295523 415758299 /nfs/dbraw/zinc/75/82/99/415758299.db2.gz UTOWAGZXJWGKOQ-MRXNPFEDSA-N 2 1 273.424 2.480 20 0 CEADMP Cc1noc([C@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662296827 415758519 /nfs/dbraw/zinc/75/85/19/415758519.db2.gz NPHRBFLPUSEHEB-FZMZJTMJSA-N 2 1 278.400 2.151 20 0 CEADMP COCCCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296502 415759173 /nfs/dbraw/zinc/75/91/73/415759173.db2.gz LEGRNLSIVAFYMA-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](OC)C2CCC2)C1 ZINC000659989817 415831299 /nfs/dbraw/zinc/83/12/99/415831299.db2.gz UIXBLDUOAYLPCS-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C1CCC1 ZINC000659983007 415826779 /nfs/dbraw/zinc/82/67/79/415826779.db2.gz BJGQTSGJKAMKDD-BPLDGKMQSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C1CCC1 ZINC000659983007 415826783 /nfs/dbraw/zinc/82/67/83/415826783.db2.gz BJGQTSGJKAMKDD-BPLDGKMQSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCC1 ZINC000659983007 415826788 /nfs/dbraw/zinc/82/67/88/415826788.db2.gz BJGQTSGJKAMKDD-BPLDGKMQSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCC1 ZINC000659983007 415826790 /nfs/dbraw/zinc/82/67/90/415826790.db2.gz BJGQTSGJKAMKDD-BPLDGKMQSA-N 2 1 254.418 2.216 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@]1(C)CC1(F)F ZINC000656710309 415828657 /nfs/dbraw/zinc/82/86/57/415828657.db2.gz IEGQHTQUOUCXTC-LSDHHAIUSA-N 2 1 298.377 2.114 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@]1(C)CC1(F)F ZINC000656710309 415828660 /nfs/dbraw/zinc/82/86/60/415828660.db2.gz IEGQHTQUOUCXTC-LSDHHAIUSA-N 2 1 298.377 2.114 20 0 CEADMP Cc1ccc2ncc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000662517859 415871433 /nfs/dbraw/zinc/87/14/33/415871433.db2.gz QLGXEJNTPNBWGB-HZPDHXFCSA-N 2 1 267.376 2.194 20 0 CEADMP CO[C@@H](C[N@H+](C)CCCn1cc[nH+]c1C)C1CCC1 ZINC000660117155 415888099 /nfs/dbraw/zinc/88/80/99/415888099.db2.gz MUTJYJYRFPJCMV-HNNXBMFYSA-N 2 1 265.401 2.329 20 0 CEADMP CO[C@@H](C[N@@H+](C)CCCn1cc[nH+]c1C)C1CCC1 ZINC000660117155 415888104 /nfs/dbraw/zinc/88/81/04/415888104.db2.gz MUTJYJYRFPJCMV-HNNXBMFYSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1nc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)co1 ZINC000660115422 415888611 /nfs/dbraw/zinc/88/86/11/415888611.db2.gz NCCYDQUCDZUATJ-BBRMVZONSA-N 2 1 275.396 2.432 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660118029 415890199 /nfs/dbraw/zinc/89/01/99/415890199.db2.gz SJIFFQADMNWSQK-GGGWTEGZSA-N 2 1 278.440 2.216 20 0 CEADMP CC[C@H](CC(F)F)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000660144412 415901735 /nfs/dbraw/zinc/90/17/35/415901735.db2.gz AMWIJTGKAMPYPJ-CQSZACIVSA-N 2 1 291.430 2.237 20 0 CEADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H](C)[NH3+] ZINC000662669061 415925981 /nfs/dbraw/zinc/92/59/81/415925981.db2.gz URUVYASFGQBZGQ-DZKIICNBSA-N 2 1 295.471 2.129 20 0 CEADMP [NH3+]Cc1ccc(CNCc2ccc3c(c2)C[NH2+]CC3)c(F)c1 ZINC000656785451 415859764 /nfs/dbraw/zinc/85/97/64/415859764.db2.gz HSOBWGURJYBTAG-UHFFFAOYSA-N 2 1 299.393 2.220 20 0 CEADMP c1csc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000656784879 415860137 /nfs/dbraw/zinc/86/01/37/415860137.db2.gz HYISHGMEXNCDDJ-CYBMUJFWSA-N 2 1 265.426 2.355 20 0 CEADMP CCC1(CC)CCC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000656791813 415864827 /nfs/dbraw/zinc/86/48/27/415864827.db2.gz KNBLJVQIHKHDQB-OAHLLOKOSA-N 2 1 295.471 2.086 20 0 CEADMP C[C@@H](O)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000077207599 177234500 /nfs/dbraw/zinc/23/45/00/177234500.db2.gz DTTMREOKMVWBGI-CQSZACIVSA-N 2 1 262.397 2.012 20 0 CEADMP CCc1ccc([C@H](COC)[NH2+][C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000566747310 299020753 /nfs/dbraw/zinc/02/07/53/299020753.db2.gz FIUFIXUDOFQBGJ-OBJOEFQTSA-N 2 1 266.385 2.389 20 0 CEADMP COc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1F ZINC000666774686 419427422 /nfs/dbraw/zinc/42/74/22/419427422.db2.gz RZALRHUMLNDCRJ-VXGBXAGGSA-N 2 1 266.360 2.312 20 0 CEADMP COc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1F ZINC000666774685 419429404 /nfs/dbraw/zinc/42/94/04/419429404.db2.gz RZALRHUMLNDCRJ-RYUDHWBXSA-N 2 1 266.360 2.312 20 0 CEADMP C[C@H]1C[N@H+](C)C[C@H]1NCc1cccc2c1OC(F)(F)O2 ZINC000666285408 419612778 /nfs/dbraw/zinc/61/27/78/419612778.db2.gz HXKQSJFPHBUZQL-GXSJLCMTSA-N 2 1 284.306 2.048 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@H]1NCc1cccc2c1OC(F)(F)O2 ZINC000666285408 419612783 /nfs/dbraw/zinc/61/27/83/419612783.db2.gz HXKQSJFPHBUZQL-GXSJLCMTSA-N 2 1 284.306 2.048 20 0 CEADMP Cc1[nH+]cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1C ZINC000667708797 419777294 /nfs/dbraw/zinc/77/72/94/419777294.db2.gz LHGVCGMNYSHSGM-PBHICJAKSA-N 2 1 288.439 2.177 20 0 CEADMP Cc1[nH+]cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1C ZINC000667708797 419777302 /nfs/dbraw/zinc/77/73/02/419777302.db2.gz LHGVCGMNYSHSGM-PBHICJAKSA-N 2 1 288.439 2.177 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000666693922 419777661 /nfs/dbraw/zinc/77/76/61/419777661.db2.gz GRBLYPRLZRRSQH-HZPDHXFCSA-N 2 1 261.413 2.319 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000666693922 419777675 /nfs/dbraw/zinc/77/76/75/419777675.db2.gz GRBLYPRLZRRSQH-HZPDHXFCSA-N 2 1 261.413 2.319 20 0 CEADMP CCCNc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000521613524 260195372 /nfs/dbraw/zinc/19/53/72/260195372.db2.gz VYWCBSZVFBCXSD-QGZVFWFLSA-N 2 1 291.439 2.053 20 0 CEADMP CCCNc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000521613524 260195373 /nfs/dbraw/zinc/19/53/73/260195373.db2.gz VYWCBSZVFBCXSD-QGZVFWFLSA-N 2 1 291.439 2.053 20 0 CEADMP C[N@@H+](CCN[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000517589078 260196948 /nfs/dbraw/zinc/19/69/48/260196948.db2.gz YDGANCKVVSUTNN-ZIAGYGMSSA-N 2 1 253.434 2.110 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000449101662 260218791 /nfs/dbraw/zinc/21/87/91/260218791.db2.gz VBTNNAVOQFXRML-RRFJBIMHSA-N 2 1 297.487 2.247 20 0 CEADMP O=C(CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)Nc1ccccc1 ZINC000517922601 260318874 /nfs/dbraw/zinc/31/88/74/260318874.db2.gz MGUGSBPLUWRGCH-AWEZNQCLSA-N 2 1 287.407 2.089 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)[C@H]1C ZINC000518011510 260335202 /nfs/dbraw/zinc/33/52/02/260335202.db2.gz UNLNZXBQKFKQIL-FZKCQIBNSA-N 2 1 296.455 2.284 20 0 CEADMP c1csc(CCC[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000391204053 262390532 /nfs/dbraw/zinc/39/05/32/262390532.db2.gz QUEDTHSXSCVSKG-UHFFFAOYSA-N 2 1 265.426 2.292 20 0 CEADMP CCOC[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000453418663 263272275 /nfs/dbraw/zinc/27/22/75/263272275.db2.gz ZPZLHPIVEVJCJC-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CCOC[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000453418663 263272278 /nfs/dbraw/zinc/27/22/78/263272278.db2.gz ZPZLHPIVEVJCJC-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CCOC[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000453418663 263272282 /nfs/dbraw/zinc/27/22/82/263272282.db2.gz ZPZLHPIVEVJCJC-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCOCCc1ccccc1 ZINC000430563286 263280638 /nfs/dbraw/zinc/28/06/38/263280638.db2.gz VFYSUWWWZNRVAN-QGZVFWFLSA-N 2 1 276.424 2.320 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCOCCc1ccccc1 ZINC000430563286 263280641 /nfs/dbraw/zinc/28/06/41/263280641.db2.gz VFYSUWWWZNRVAN-QGZVFWFLSA-N 2 1 276.424 2.320 20 0 CEADMP C[C@H]1CCCC[C@H]1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441359273 263794407 /nfs/dbraw/zinc/79/44/07/263794407.db2.gz WGVBUKNHEHCGCW-HOTGVXAUSA-N 2 1 281.488 2.428 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)[C@H]2CCC[C@H]21 ZINC000425954009 264071333 /nfs/dbraw/zinc/07/13/33/264071333.db2.gz MGLABARBORSTGH-FRRDWIJNSA-N 2 1 258.356 2.494 20 0 CEADMP CCC[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000187679106 270255461 /nfs/dbraw/zinc/25/54/61/270255461.db2.gz BRWJDVLZEAOOQB-JKSUJKDBSA-N 2 1 267.461 2.277 20 0 CEADMP Cc1ccccc1C[C@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000188934111 270259752 /nfs/dbraw/zinc/25/97/52/270259752.db2.gz XVMOKCYPIMFNKL-QGZVFWFLSA-N 2 1 299.418 2.149 20 0 CEADMP Cc1ncsc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397257296 270352658 /nfs/dbraw/zinc/35/26/58/270352658.db2.gz FWEIRQMUZUBSDT-UMNHJUIQSA-N 2 1 253.415 2.257 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000398088419 270355607 /nfs/dbraw/zinc/35/56/07/270355607.db2.gz IUIUMHLCIWCIRF-KBAYOESNSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)CN1Cc1ccccc1 ZINC000398088419 270355609 /nfs/dbraw/zinc/35/56/09/270355609.db2.gz IUIUMHLCIWCIRF-KBAYOESNSA-N 2 1 287.451 2.381 20 0 CEADMP COc1ccc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000420315320 270515032 /nfs/dbraw/zinc/51/50/32/270515032.db2.gz LRESBFSQQMLTFN-CYBMUJFWSA-N 2 1 278.396 2.135 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000420325499 270517633 /nfs/dbraw/zinc/51/76/33/270517633.db2.gz WQFONBIUUGESTP-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000420325499 270517636 /nfs/dbraw/zinc/51/76/36/270517636.db2.gz WQFONBIUUGESTP-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420324253 270518342 /nfs/dbraw/zinc/51/83/42/270518342.db2.gz UWAUKVZUWVLFGJ-LSDHHAIUSA-N 2 1 276.428 2.173 20 0 CEADMP C[N@H+](CCc1nccs1)CC[C@H]1CCC[NH2+]C1 ZINC000420365606 270528429 /nfs/dbraw/zinc/52/84/29/270528429.db2.gz FAHGOIJBXICNER-GFCCVEGCSA-N 2 1 253.415 2.007 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000420372093 270530482 /nfs/dbraw/zinc/53/04/82/270530482.db2.gz KYJXWNRRCOLYDD-OAHLLOKOSA-N 2 1 299.422 2.261 20 0 CEADMP CCn1ccnc1[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420374114 270530822 /nfs/dbraw/zinc/53/08/22/270530822.db2.gz NGNDIKHXTQCFCR-GJZGRUSLSA-N 2 1 276.428 2.430 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000422735423 270745198 /nfs/dbraw/zinc/74/51/98/270745198.db2.gz URTPYVLUGOQWSK-CABCVRRESA-N 2 1 275.440 2.366 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CCCC[NH3+] ZINC000422775572 270761653 /nfs/dbraw/zinc/76/16/53/270761653.db2.gz BXVGZWVHYQXNPW-CYBMUJFWSA-N 3 1 252.406 2.079 20 0 CEADMP C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C[C@H]1CCCCO1 ZINC000423035990 270822893 /nfs/dbraw/zinc/82/28/93/270822893.db2.gz KFELUKAZSWKJDJ-VQHPVUNQSA-N 2 1 296.455 2.082 20 0 CEADMP CC(C)[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](C)[NH3+] ZINC000423337056 270899870 /nfs/dbraw/zinc/89/98/70/270899870.db2.gz SWRKLNQJTOFVKI-XUWVNRHRSA-N 2 1 297.487 2.090 20 0 CEADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1CC1(C)C ZINC000423506260 270919976 /nfs/dbraw/zinc/91/99/76/270919976.db2.gz IAORNFCKHXCKTE-LMPOIIKSSA-N 2 1 279.472 2.227 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cncn2C(C)C)C1 ZINC000424151189 271025439 /nfs/dbraw/zinc/02/54/39/271025439.db2.gz HBHOGLZCOCVTIY-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cncn2C(C)C)C1 ZINC000424151189 271025442 /nfs/dbraw/zinc/02/54/42/271025442.db2.gz HBHOGLZCOCVTIY-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424239118 271033280 /nfs/dbraw/zinc/03/32/80/271033280.db2.gz LMKYHZXFQGQRLL-HNNXBMFYSA-N 2 1 275.396 2.267 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424288075 271039543 /nfs/dbraw/zinc/03/95/43/271039543.db2.gz KBOXSQAGVKBQMZ-CQSZACIVSA-N 2 1 282.428 2.184 20 0 CEADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000425364040 271160228 /nfs/dbraw/zinc/16/02/28/271160228.db2.gz YNFBOCSYPTWCKQ-WCFLWFBJSA-N 2 1 253.415 2.311 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000426761700 271233069 /nfs/dbraw/zinc/23/30/69/271233069.db2.gz COVSATNXEPLWLX-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000426761700 271233073 /nfs/dbraw/zinc/23/30/73/271233073.db2.gz COVSATNXEPLWLX-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000426761700 271233075 /nfs/dbraw/zinc/23/30/75/271233075.db2.gz COVSATNXEPLWLX-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP Cc1cccc(N2CCC([NH2+]C3CCC(O)CC3)CC2)[nH+]1 ZINC000428232678 271248133 /nfs/dbraw/zinc/24/81/33/271248133.db2.gz VMMGARGZGDAQNC-UHFFFAOYSA-N 2 1 289.423 2.252 20 0 CEADMP CC(C)OC1CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000428259022 271252093 /nfs/dbraw/zinc/25/20/93/271252093.db2.gz HTLWIMYTTHBBNM-WUCCLRPBSA-N 2 1 252.402 2.159 20 0 CEADMP CC(C)OC1CC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000428259022 271252096 /nfs/dbraw/zinc/25/20/96/271252096.db2.gz HTLWIMYTTHBBNM-WUCCLRPBSA-N 2 1 252.402 2.159 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCOC ZINC000429227539 271314023 /nfs/dbraw/zinc/31/40/23/271314023.db2.gz OHWHDRKBTVIDSP-UHFFFAOYSA-N 2 1 253.390 2.194 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCOC ZINC000429227539 271314025 /nfs/dbraw/zinc/31/40/25/271314025.db2.gz OHWHDRKBTVIDSP-UHFFFAOYSA-N 2 1 253.390 2.194 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CC[C@H]2CCCCO2)CC1 ZINC000429528811 271336137 /nfs/dbraw/zinc/33/61/37/271336137.db2.gz NKKZKQHUZWOTGR-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP COC1(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000429517694 271336427 /nfs/dbraw/zinc/33/64/27/271336427.db2.gz NWDSKXVRNAUZPW-ZIAGYGMSSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)CC1 ZINC000429528808 271336626 /nfs/dbraw/zinc/33/66/26/271336626.db2.gz NKKZKQHUZWOTGR-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000430568999 271393232 /nfs/dbraw/zinc/39/32/32/271393232.db2.gz DMLWEXDYLNMWHW-CHWSQXEVSA-N 2 1 266.360 2.264 20 0 CEADMP C(C[C@H]1CCOC1)[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000438178094 271720717 /nfs/dbraw/zinc/72/07/17/271720717.db2.gz OEGUEWZTLCJLIG-JKSUJKDBSA-N 2 1 266.429 2.267 20 0 CEADMP C(C[C@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000438178094 271720720 /nfs/dbraw/zinc/72/07/20/271720720.db2.gz OEGUEWZTLCJLIG-JKSUJKDBSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)CC[N@@H+]1C ZINC000123271703 274386789 /nfs/dbraw/zinc/38/67/89/274386789.db2.gz XDTSHLIYDRXTRD-CJNGLKHVSA-N 2 1 299.418 2.443 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)CC[N@H+]1C ZINC000123271703 274386791 /nfs/dbraw/zinc/38/67/91/274386791.db2.gz XDTSHLIYDRXTRD-CJNGLKHVSA-N 2 1 299.418 2.443 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3ccccc3[nH]c2=O)CC[NH+]1C ZINC000123271703 274386793 /nfs/dbraw/zinc/38/67/93/274386793.db2.gz XDTSHLIYDRXTRD-CJNGLKHVSA-N 2 1 299.418 2.443 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)CC[NH+]1C ZINC000123271703 274386796 /nfs/dbraw/zinc/38/67/96/274386796.db2.gz XDTSHLIYDRXTRD-CJNGLKHVSA-N 2 1 299.418 2.443 20 0 CEADMP O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262574192 275025700 /nfs/dbraw/zinc/02/57/00/275025700.db2.gz XUVLLBNWCRXNTP-MRXNPFEDSA-N 2 1 299.418 2.015 20 0 CEADMP C([C@@H]1CCSC1)[N@H+]1C[C@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365880974 275397282 /nfs/dbraw/zinc/39/72/82/275397282.db2.gz YTUPLLAXCSOQML-BYNSBNAKSA-N 2 1 266.454 2.156 20 0 CEADMP C([C@@H]1CCSC1)[NH+]1C[C@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365880974 275397283 /nfs/dbraw/zinc/39/72/83/275397283.db2.gz YTUPLLAXCSOQML-BYNSBNAKSA-N 2 1 266.454 2.156 20 0 CEADMP C([C@@H]1CCSC1)[NH+]1C[C@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365880974 275397284 /nfs/dbraw/zinc/39/72/84/275397284.db2.gz YTUPLLAXCSOQML-BYNSBNAKSA-N 2 1 266.454 2.156 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000365054209 276096182 /nfs/dbraw/zinc/09/61/82/276096182.db2.gz LNJBNJKWKNSVSC-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000358080040 276230133 /nfs/dbraw/zinc/23/01/33/276230133.db2.gz FNIIDVHHLVUMAQ-RDBSUJKOSA-N 2 1 284.444 2.427 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000374324870 276263958 /nfs/dbraw/zinc/26/39/58/276263958.db2.gz AWBHZYNWSUZXGG-CABCVRRESA-N 2 1 266.429 2.267 20 0 CEADMP CCOC(=O)CCCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000174779039 276276107 /nfs/dbraw/zinc/27/61/07/276276107.db2.gz PXUNYJWIDWHOAG-CABCVRRESA-N 2 1 284.444 2.382 20 0 CEADMP CCOC(=O)CCCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000174779039 276276109 /nfs/dbraw/zinc/27/61/09/276276109.db2.gz PXUNYJWIDWHOAG-CABCVRRESA-N 2 1 284.444 2.382 20 0 CEADMP CCOC(=O)CCCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000174779039 276276111 /nfs/dbraw/zinc/27/61/11/276276111.db2.gz PXUNYJWIDWHOAG-CABCVRRESA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000338277639 276324635 /nfs/dbraw/zinc/32/46/35/276324635.db2.gz GBBDMGCXYDLCED-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000338277639 276324637 /nfs/dbraw/zinc/32/46/37/276324637.db2.gz GBBDMGCXYDLCED-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C12CCC2 ZINC000344026000 276345607 /nfs/dbraw/zinc/34/56/07/276345607.db2.gz SQIATXCFVGIUCN-RBSFLKMASA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CC(F)(F)F)C[C@H]1C ZINC000346440490 276399505 /nfs/dbraw/zinc/39/95/05/276399505.db2.gz ANUWDGXOJXICFX-GRYCIOLGSA-N 2 1 282.350 2.104 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CC(F)(F)F)C[C@H]1C ZINC000346440490 276399507 /nfs/dbraw/zinc/39/95/07/276399507.db2.gz ANUWDGXOJXICFX-GRYCIOLGSA-N 2 1 282.350 2.104 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CC(F)(F)F)C[C@H]1C ZINC000346440490 276399509 /nfs/dbraw/zinc/39/95/09/276399509.db2.gz ANUWDGXOJXICFX-GRYCIOLGSA-N 2 1 282.350 2.104 20 0 CEADMP CC(=O)NCC[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000347645319 277034297 /nfs/dbraw/zinc/03/42/97/277034297.db2.gz OAVCWZYXFFQQPE-SJORKVTESA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCC[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000347645319 277034298 /nfs/dbraw/zinc/03/42/98/277034298.db2.gz OAVCWZYXFFQQPE-SJORKVTESA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCC[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000347645319 277034300 /nfs/dbraw/zinc/03/43/00/277034300.db2.gz OAVCWZYXFFQQPE-SJORKVTESA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)CC[C@@H]21 ZINC000220946457 277068740 /nfs/dbraw/zinc/06/87/40/277068740.db2.gz HGCIMHSMEKGDOC-IXDOHACOSA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)CC[C@@H]21 ZINC000220946457 277068742 /nfs/dbraw/zinc/06/87/42/277068742.db2.gz HGCIMHSMEKGDOC-IXDOHACOSA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)CC[C@@H]21 ZINC000220946457 277068744 /nfs/dbraw/zinc/06/87/44/277068744.db2.gz HGCIMHSMEKGDOC-IXDOHACOSA-N 2 1 274.408 2.136 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000070171811 277074195 /nfs/dbraw/zinc/07/41/95/277074195.db2.gz ZDCRUBDXNMDMGD-WFASDCNBSA-N 2 1 275.396 2.204 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@H+](C[C@H]3CC=CCC3)C2)CC1 ZINC000377694334 277111845 /nfs/dbraw/zinc/11/18/45/277111845.db2.gz INXLVMCGTDDUGV-ROUUACIJSA-N 2 1 291.483 2.445 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](C[C@H]3CC=CCC3)C2)CC1 ZINC000377694334 277111847 /nfs/dbraw/zinc/11/18/47/277111847.db2.gz INXLVMCGTDDUGV-ROUUACIJSA-N 2 1 291.483 2.445 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSCCS2)[C@@H]2CCC[C@@H]21 ZINC000367602422 277171756 /nfs/dbraw/zinc/17/17/56/277171756.db2.gz STBASPOZALRZJB-RFGFWPKPSA-N 2 1 286.510 2.297 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000358264043 277184215 /nfs/dbraw/zinc/18/42/15/277184215.db2.gz YCCBWOQQGLQRFS-KURKYZTESA-N 2 1 288.435 2.369 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000358264043 277184217 /nfs/dbraw/zinc/18/42/17/277184217.db2.gz YCCBWOQQGLQRFS-KURKYZTESA-N 2 1 288.435 2.369 20 0 CEADMP C[N@H+]1Cc2ccccc2[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000366699756 277213135 /nfs/dbraw/zinc/21/31/35/277213135.db2.gz VTSYXXVOQAPNEP-JFIYKMOQSA-N 2 1 285.435 2.390 20 0 CEADMP C[N@@H+]1Cc2ccccc2[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000366699756 277213137 /nfs/dbraw/zinc/21/31/37/277213137.db2.gz VTSYXXVOQAPNEP-JFIYKMOQSA-N 2 1 285.435 2.390 20 0 CEADMP C[NH+]1Cc2ccccc2[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000366699756 277213139 /nfs/dbraw/zinc/21/31/39/277213139.db2.gz VTSYXXVOQAPNEP-JFIYKMOQSA-N 2 1 285.435 2.390 20 0 CEADMP C[NH+]1Cc2ccccc2[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000366699756 277213140 /nfs/dbraw/zinc/21/31/40/277213140.db2.gz VTSYXXVOQAPNEP-JFIYKMOQSA-N 2 1 285.435 2.390 20 0 CEADMP COC(=O)[C@@]1(C)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000412060713 277376813 /nfs/dbraw/zinc/37/68/13/277376813.db2.gz GRNGWSHDVXTKCA-INIZCTEOSA-N 2 1 282.428 2.138 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000090773354 277394655 /nfs/dbraw/zinc/39/46/55/277394655.db2.gz BKIDBJIAGUYXHZ-YYIAUSFCSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000090773354 277394656 /nfs/dbraw/zinc/39/46/56/277394656.db2.gz BKIDBJIAGUYXHZ-YYIAUSFCSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000090773354 277394657 /nfs/dbraw/zinc/39/46/57/277394657.db2.gz BKIDBJIAGUYXHZ-YYIAUSFCSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CCO1 ZINC000352619134 278010132 /nfs/dbraw/zinc/01/01/32/278010132.db2.gz ZGNJRSNVMKJDSC-YJNKXOJESA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CCO1 ZINC000352619134 278010135 /nfs/dbraw/zinc/01/01/35/278010135.db2.gz ZGNJRSNVMKJDSC-YJNKXOJESA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H](C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000352619134 278010136 /nfs/dbraw/zinc/01/01/36/278010136.db2.gz ZGNJRSNVMKJDSC-YJNKXOJESA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H](C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000352619134 278010139 /nfs/dbraw/zinc/01/01/39/278010139.db2.gz ZGNJRSNVMKJDSC-YJNKXOJESA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CCCCC2)CC[N@@H+]1C ZINC000417369907 278027698 /nfs/dbraw/zinc/02/76/98/278027698.db2.gz RYOCRUDIMFZFQF-FVQBIDKESA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CCCCC2)CC[N@H+]1C ZINC000417369907 278027699 /nfs/dbraw/zinc/02/76/99/278027699.db2.gz RYOCRUDIMFZFQF-FVQBIDKESA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000336810928 278030376 /nfs/dbraw/zinc/03/03/76/278030376.db2.gz KBWUJYJVVHXVKL-WYUUTHIRSA-N 2 1 280.334 2.169 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000336810928 278030377 /nfs/dbraw/zinc/03/03/77/278030377.db2.gz KBWUJYJVVHXVKL-WYUUTHIRSA-N 2 1 280.334 2.169 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000248549593 278189009 /nfs/dbraw/zinc/18/90/09/278189009.db2.gz HKXRTTIKYXPNNO-OAGGEKHMSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000251106136 278209695 /nfs/dbraw/zinc/20/96/95/278209695.db2.gz OCYAPWHDWOBFOY-ZACQAIPSSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000251106136 278209696 /nfs/dbraw/zinc/20/96/96/278209696.db2.gz OCYAPWHDWOBFOY-ZACQAIPSSA-N 3 1 279.472 2.325 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000251106136 278209697 /nfs/dbraw/zinc/20/96/97/278209697.db2.gz OCYAPWHDWOBFOY-ZACQAIPSSA-N 3 1 279.472 2.325 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H](C)C1CCCCC1 ZINC000361231981 278260808 /nfs/dbraw/zinc/26/08/08/278260808.db2.gz WIRZDRWKNHLVEK-VNHYZAJKSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CC1(C)COC1 ZINC000352808528 278332233 /nfs/dbraw/zinc/33/22/33/278332233.db2.gz ACDIFKIKCSCQAD-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000353626067 288076451 /nfs/dbraw/zinc/07/64/51/288076451.db2.gz TZXHZIDSYVZNRQ-LAVFITLUSA-N 2 1 288.435 2.082 20 0 CEADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000338480412 278889077 /nfs/dbraw/zinc/88/90/77/278889077.db2.gz IROHRINSFJTGJQ-BTTYYORXSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358259154 279002351 /nfs/dbraw/zinc/00/23/51/279002351.db2.gz UNSAJKXOMKZTLH-IAGOWNOFSA-N 2 1 276.424 2.430 20 0 CEADMP CC(C)C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358259154 279002353 /nfs/dbraw/zinc/00/23/53/279002353.db2.gz UNSAJKXOMKZTLH-IAGOWNOFSA-N 2 1 276.424 2.430 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000414733151 279180234 /nfs/dbraw/zinc/18/02/34/279180234.db2.gz CQLIDYKRONEJTO-HOTGVXAUSA-N 2 1 267.461 2.024 20 0 CEADMP C[C@H](CCC1CCCCC1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414980846 279253668 /nfs/dbraw/zinc/25/36/68/279253668.db2.gz WZNGFMYZBNMACL-ZBFHGGJFSA-N 2 1 267.461 2.229 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C(C)C ZINC000158791472 279283409 /nfs/dbraw/zinc/28/34/09/279283409.db2.gz XSTPFCMGRMQPTB-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C(C)C ZINC000158791472 279283413 /nfs/dbraw/zinc/28/34/13/279283413.db2.gz XSTPFCMGRMQPTB-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)N(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C(C)C ZINC000158791472 279283416 /nfs/dbraw/zinc/28/34/16/279283416.db2.gz XSTPFCMGRMQPTB-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)N(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C(C)C ZINC000158791472 279283419 /nfs/dbraw/zinc/28/34/19/279283419.db2.gz XSTPFCMGRMQPTB-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@H](CNc1cc[nH+]cc1C(N)=O)[N@@H+](C)Cc1ccccc1 ZINC000302220733 279355615 /nfs/dbraw/zinc/35/56/15/279355615.db2.gz MEKRRQXCIGHMAR-CYBMUJFWSA-N 2 1 298.390 2.113 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414961339 280008216 /nfs/dbraw/zinc/00/82/16/280008216.db2.gz YWEPVVQUBFTWSU-MAUKXSAKSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CC2(CCOCC2)O1 ZINC000369376322 288182268 /nfs/dbraw/zinc/18/22/68/288182268.db2.gz UNSLQWQOBVUJIH-HZPDHXFCSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC2(CCOCC2)O1 ZINC000369376322 288182270 /nfs/dbraw/zinc/18/22/70/288182270.db2.gz UNSLQWQOBVUJIH-HZPDHXFCSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CC2(CCOCC2)O1 ZINC000369376322 288182271 /nfs/dbraw/zinc/18/22/71/288182271.db2.gz UNSLQWQOBVUJIH-HZPDHXFCSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CC2(CCOCC2)O1 ZINC000369376322 288182273 /nfs/dbraw/zinc/18/22/73/288182273.db2.gz UNSLQWQOBVUJIH-HZPDHXFCSA-N 2 1 296.455 2.131 20 0 CEADMP CCSCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365568923 280037552 /nfs/dbraw/zinc/03/75/52/280037552.db2.gz HEGXNZKEGYHISF-MGPQQGTHSA-N 2 1 254.443 2.156 20 0 CEADMP CCSCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365568923 280037555 /nfs/dbraw/zinc/03/75/55/280037555.db2.gz HEGXNZKEGYHISF-MGPQQGTHSA-N 2 1 254.443 2.156 20 0 CEADMP CCSCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365568923 280037557 /nfs/dbraw/zinc/03/75/57/280037557.db2.gz HEGXNZKEGYHISF-MGPQQGTHSA-N 2 1 254.443 2.156 20 0 CEADMP CC[C@@H](C)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000363102508 280095083 /nfs/dbraw/zinc/09/50/83/280095083.db2.gz OGEZRSHEAHGHIZ-CVEARBPZSA-N 2 1 267.461 2.133 20 0 CEADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000226438429 280214783 /nfs/dbraw/zinc/21/47/83/280214783.db2.gz VTJUMMZECZIAIB-WMLDXEAASA-N 2 1 258.409 2.475 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000245544825 280249005 /nfs/dbraw/zinc/24/90/05/280249005.db2.gz BSMOBIBYVIYPFZ-QKPAOTATSA-N 2 1 278.440 2.266 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1(C)C ZINC000247088954 280320192 /nfs/dbraw/zinc/32/01/92/280320192.db2.gz ZVTDNDFXTFWFCM-HZSPNIEDSA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000248067704 280342354 /nfs/dbraw/zinc/34/23/54/280342354.db2.gz ZTAAMMMOQLEUCO-DZGCQCFKSA-N 2 1 290.407 2.278 20 0 CEADMP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422880233 280946191 /nfs/dbraw/zinc/94/61/91/280946191.db2.gz WOGCIROAKJLWEP-QLFBSQMISA-N 2 1 289.423 2.004 20 0 CEADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000422920019 280965719 /nfs/dbraw/zinc/96/57/19/280965719.db2.gz LHXMGROZDBWXTE-LNSITVRQSA-N 2 1 266.360 2.101 20 0 CEADMP CC[C@H]([NH2+]C[C@H](C)c1nccs1)[C@@H]1CCC[NH2+]1 ZINC000423030649 281001303 /nfs/dbraw/zinc/00/13/03/281001303.db2.gz CDZYPIHEMNZVBM-SRVKXCTJSA-N 2 1 253.415 2.367 20 0 CEADMP C[C@H](CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+])[NH+]1CCCCC1 ZINC000423031839 281002376 /nfs/dbraw/zinc/00/23/76/281002376.db2.gz LJWJBUFIOAEHFO-OWCLPIDISA-N 3 1 267.461 2.358 20 0 CEADMP Cc1cnc([C@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000423032226 281003163 /nfs/dbraw/zinc/00/31/63/281003163.db2.gz FCDPHTFDFJPLEM-ADEWGFFLSA-N 2 1 253.415 2.285 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1(C)C ZINC000423051732 281011480 /nfs/dbraw/zinc/01/14/80/281011480.db2.gz OYSPJPHMGOVSHE-AAVRWANBSA-N 2 1 254.418 2.309 20 0 CEADMP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)[C@@H]1CCCCN1 ZINC000423135314 281018445 /nfs/dbraw/zinc/01/84/45/281018445.db2.gz NNESEYVLSKMNGR-CVEARBPZSA-N 2 1 267.461 2.373 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2[NH2+]CCCC2(C)C)[C@H]2CCC[C@@H]21 ZINC000423401466 281028350 /nfs/dbraw/zinc/02/83/50/281028350.db2.gz XQICITRWGJJNAT-UGUYLWEFSA-N 2 1 279.472 2.227 20 0 CEADMP CC[N@@H+](CCNC(=O)c1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000423407642 281032187 /nfs/dbraw/zinc/03/21/87/281032187.db2.gz WERWLYWBXPWFTI-ZDUSSCGKSA-N 2 1 277.412 2.166 20 0 CEADMP Cc1cccc(NCCNC(=O)c2ccc([C@H](C)[NH3+])cc2)[nH+]1 ZINC000423417965 281035877 /nfs/dbraw/zinc/03/58/77/281035877.db2.gz HPEBTMKOKVGVTA-ZDUSSCGKSA-N 2 1 298.390 2.252 20 0 CEADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423445888 281044318 /nfs/dbraw/zinc/04/43/18/281044318.db2.gz YEQRGNPJQXLDTA-YJQGPUDQSA-N 2 1 265.426 2.443 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c(C)c1 ZINC000423511910 281057155 /nfs/dbraw/zinc/05/71/55/281057155.db2.gz KODBSDPKPZJHSX-CABCVRRESA-N 2 1 262.397 2.333 20 0 CEADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423516151 281060519 /nfs/dbraw/zinc/06/05/19/281060519.db2.gz NMHQNQBMACAUBY-ZWKOTPCHSA-N 2 1 289.467 2.137 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423573735 281066968 /nfs/dbraw/zinc/06/69/68/281066968.db2.gz ZKWUZEREOLOSRV-KBAYOESNSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000423768583 281086940 /nfs/dbraw/zinc/08/69/40/281086940.db2.gz BKVGINUCCRUBGA-CABCVRRESA-N 2 1 295.471 2.084 20 0 CEADMP CC(C)n1cncc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000424147590 281122426 /nfs/dbraw/zinc/12/24/26/281122426.db2.gz RTHFJYZGUNTKFE-KBPBESRZSA-N 2 1 264.417 2.426 20 0 CEADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC[C@@H]1CCC[NH+]1C ZINC000336803369 288294296 /nfs/dbraw/zinc/29/42/96/288294296.db2.gz YENGEGDTGIGSHO-OWCLPIDISA-N 2 1 265.445 2.029 20 0 CEADMP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1CC[C@@H]1CCC[N@@H+]1C ZINC000336803369 288294298 /nfs/dbraw/zinc/29/42/98/288294298.db2.gz YENGEGDTGIGSHO-OWCLPIDISA-N 2 1 265.445 2.029 20 0 CEADMP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1CC[C@@H]1CCC[N@H+]1C ZINC000336803369 288294301 /nfs/dbraw/zinc/29/43/01/288294301.db2.gz YENGEGDTGIGSHO-OWCLPIDISA-N 2 1 265.445 2.029 20 0 CEADMP CC[C@H]1COCC[NH+]1CCCCC[N@@H+]1CCOC[C@@H]1CC ZINC000172658439 281208793 /nfs/dbraw/zinc/20/87/93/281208793.db2.gz CFDAPVGNTZDARY-IRXDYDNUSA-N 2 1 298.471 2.378 20 0 CEADMP C[N@@H+](CCCNC(=O)C1CCC1)CC[C@H]1CCCC[NH+]1C ZINC000429532563 281240536 /nfs/dbraw/zinc/24/05/36/281240536.db2.gz UURDHCMKJBQJHI-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](CCCNC(=O)C1CCC1)CC[C@H]1CCCC[N@@H+]1C ZINC000429532563 281240537 /nfs/dbraw/zinc/24/05/37/281240537.db2.gz UURDHCMKJBQJHI-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](CCCNC(=O)C1CCC1)CC[C@H]1CCCC[N@H+]1C ZINC000429532563 281240539 /nfs/dbraw/zinc/24/05/39/281240539.db2.gz UURDHCMKJBQJHI-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)n1 ZINC000430129710 281264709 /nfs/dbraw/zinc/26/47/09/281264709.db2.gz ISMGUBGOXRZYFI-QGZVFWFLSA-N 2 1 289.423 2.235 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)n1 ZINC000430129710 281264712 /nfs/dbraw/zinc/26/47/12/281264712.db2.gz ISMGUBGOXRZYFI-QGZVFWFLSA-N 2 1 289.423 2.235 20 0 CEADMP COc1cc(C)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)n1 ZINC000430129710 281264714 /nfs/dbraw/zinc/26/47/14/281264714.db2.gz ISMGUBGOXRZYFI-QGZVFWFLSA-N 2 1 289.423 2.235 20 0 CEADMP COc1cc(C)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)n1 ZINC000430129710 281264716 /nfs/dbraw/zinc/26/47/16/281264716.db2.gz ISMGUBGOXRZYFI-QGZVFWFLSA-N 2 1 289.423 2.235 20 0 CEADMP CC(C)c1noc([C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)n1 ZINC000430940673 281283839 /nfs/dbraw/zinc/28/38/39/281283839.db2.gz QHYBCLWMWJOSGZ-QWRGUYRKSA-N 2 1 266.389 2.313 20 0 CEADMP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431041672 281288247 /nfs/dbraw/zinc/28/82/47/281288247.db2.gz XPXHROUSEXDWQE-NSHDSACASA-N 2 1 276.384 2.084 20 0 CEADMP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431511049 281306844 /nfs/dbraw/zinc/30/68/44/281306844.db2.gz WMCVIBGKPIRTPY-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP COCC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCCSC1 ZINC000433178861 281373677 /nfs/dbraw/zinc/37/36/77/281373677.db2.gz CRSVINNNCLTCSP-AWEZNQCLSA-N 2 1 283.441 2.036 20 0 CEADMP COCC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCCSC1 ZINC000433178861 281373679 /nfs/dbraw/zinc/37/36/79/281373679.db2.gz CRSVINNNCLTCSP-AWEZNQCLSA-N 2 1 283.441 2.036 20 0 CEADMP O[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C12CCCC2 ZINC000433296993 281380711 /nfs/dbraw/zinc/38/07/11/281380711.db2.gz JZSDFVGHMIKMFM-OAHLLOKOSA-N 2 1 266.429 2.242 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000435379160 281386572 /nfs/dbraw/zinc/38/65/72/281386572.db2.gz LGGBSFSDEWBDAW-IACUBPJLSA-N 2 1 286.379 2.147 20 0 CEADMP CC[N@@H+](Cc1ccc(OC)c(O)c1)[C@H]1CCC[NH2+]CC1 ZINC000435392006 281387641 /nfs/dbraw/zinc/38/76/41/281387641.db2.gz VIBMGBFVXMUISQ-AWEZNQCLSA-N 2 1 278.396 2.365 20 0 CEADMP C[N@H+](Cc1cccc2c1OCCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435431080 281389583 /nfs/dbraw/zinc/38/95/83/281389583.db2.gz BRCFFYUFLHNCGK-OAHLLOKOSA-N 2 1 290.407 2.422 20 0 CEADMP C[N@@H+](Cc1cccc2c1OCCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435431080 281389585 /nfs/dbraw/zinc/38/95/85/281389585.db2.gz BRCFFYUFLHNCGK-OAHLLOKOSA-N 2 1 290.407 2.422 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN(C)CC(F)(F)F ZINC000156378200 289194741 /nfs/dbraw/zinc/19/47/41/289194741.db2.gz QKAIMAQYLIKSFI-FRRDWIJNSA-N 2 1 295.393 2.189 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2c1cccc2F ZINC000401718758 289288455 /nfs/dbraw/zinc/28/84/55/289288455.db2.gz IIDKAAIGVGTBIA-HNNXBMFYSA-N 2 1 259.328 2.379 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCOCC1 ZINC000222025408 290053219 /nfs/dbraw/zinc/05/32/19/290053219.db2.gz YUVPHNJOODXXAU-QEJZJMRPSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C1CCOCC1 ZINC000222025408 290053222 /nfs/dbraw/zinc/05/32/22/290053222.db2.gz YUVPHNJOODXXAU-QEJZJMRPSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@@H+](CCOCC1CCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000459344471 290122788 /nfs/dbraw/zinc/12/27/88/290122788.db2.gz RMISZSNWXWFEGI-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP C[NH+](CCOCC1CCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000459344471 290122789 /nfs/dbraw/zinc/12/27/89/290122789.db2.gz RMISZSNWXWFEGI-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP C[NH+](CCOCC1CCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000459344471 290122790 /nfs/dbraw/zinc/12/27/90/290122790.db2.gz RMISZSNWXWFEGI-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000459380344 290131809 /nfs/dbraw/zinc/13/18/09/290131809.db2.gz BGVBIWJIYNDCMW-DOTOQJQBSA-N 2 1 285.391 2.330 20 0 CEADMP CCn1nncc1C[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000459413534 290140749 /nfs/dbraw/zinc/14/07/49/290140749.db2.gz UCWXZWQHZKQOHT-HOCLYGCPSA-N 2 1 293.459 2.288 20 0 CEADMP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)O1 ZINC000459490840 290163219 /nfs/dbraw/zinc/16/32/19/290163219.db2.gz LIXPECDUXHBTAC-AWEZNQCLSA-N 2 1 252.402 2.160 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H]1SC ZINC000459587072 290187762 /nfs/dbraw/zinc/18/77/62/290187762.db2.gz LCXGHIYHVDVEDJ-KFWWJZLASA-N 2 1 286.485 2.359 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOC(F)F)[C@H]2CCC[C@H]21 ZINC000367620111 290217266 /nfs/dbraw/zinc/21/72/66/290217266.db2.gz XRCJBWIVTQFWER-GRYCIOLGSA-N 2 1 262.344 2.078 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnn3ccccc23)C1 ZINC000459727950 290218847 /nfs/dbraw/zinc/21/88/47/290218847.db2.gz HTVONXPHQPDMOC-CQSZACIVSA-N 2 1 272.396 2.156 20 0 CEADMP CCCn1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000459731263 290219995 /nfs/dbraw/zinc/21/99/95/290219995.db2.gz LCJPGSHRGWBGSE-CQSZACIVSA-N 2 1 264.417 2.115 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccco2)[C@H]2CCC[C@H]21 ZINC000353683315 290225259 /nfs/dbraw/zinc/22/52/59/290225259.db2.gz FCHMYJYAGOAXPQ-LXTVHRRPSA-N 2 1 278.396 2.166 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccco2)[C@H]2CCC[C@H]21 ZINC000353683315 290225261 /nfs/dbraw/zinc/22/52/61/290225261.db2.gz FCHMYJYAGOAXPQ-LXTVHRRPSA-N 2 1 278.396 2.166 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C/C=C/c2ccncc2)C1 ZINC000459775928 290236163 /nfs/dbraw/zinc/23/61/63/290236163.db2.gz JPNJDVBZWSJCTD-ICTCPBKTSA-N 2 1 259.397 2.416 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459798462 290244256 /nfs/dbraw/zinc/24/42/56/290244256.db2.gz UWESQEFKZRUMMD-IXDOHACOSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459798462 290244259 /nfs/dbraw/zinc/24/42/59/290244259.db2.gz UWESQEFKZRUMMD-IXDOHACOSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459798462 290244261 /nfs/dbraw/zinc/24/42/61/290244261.db2.gz UWESQEFKZRUMMD-IXDOHACOSA-N 2 1 280.456 2.344 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](OC)C2)[C@H](C)C1 ZINC000471784505 290282774 /nfs/dbraw/zinc/28/27/74/290282774.db2.gz AHNFJCZCCUORRH-VQHPVUNQSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000488407078 290395526 /nfs/dbraw/zinc/39/55/26/290395526.db2.gz BMNIOFVUQWMEPR-CRAIPNDOSA-N 2 1 287.451 2.180 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000521643258 297647757 /nfs/dbraw/zinc/64/77/57/297647757.db2.gz AVWSTOAMDQOSGV-KGLIPLIRSA-N 2 1 254.418 2.002 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000526108263 297697836 /nfs/dbraw/zinc/69/78/36/297697836.db2.gz CWVIOFJIWLMLFT-UHFFFAOYSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000530212457 298051362 /nfs/dbraw/zinc/05/13/62/298051362.db2.gz SEBJCBMXTOGAQS-RDJZCZTQSA-N 2 1 294.414 2.315 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000530212988 298051384 /nfs/dbraw/zinc/05/13/84/298051384.db2.gz SWDYSFODBKEZJX-GDBMZVCRSA-N 2 1 280.387 2.054 20 0 CEADMP Cn1cc2ccc(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])cc2n1 ZINC000530218730 298054368 /nfs/dbraw/zinc/05/43/68/298054368.db2.gz NDGHRFVUDAVDNT-CABCVRRESA-N 2 1 272.396 2.323 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000530219478 298054488 /nfs/dbraw/zinc/05/44/88/298054488.db2.gz PTTZUYVJJINXQZ-DLBZAZTESA-N 2 1 294.414 2.457 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000532187935 298135021 /nfs/dbraw/zinc/13/50/21/298135021.db2.gz MIDZELQAWHAAPG-LBPRGKRZSA-N 2 1 275.396 2.174 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000535033242 298180694 /nfs/dbraw/zinc/18/06/94/298180694.db2.gz YGLJEWDLWJLHHO-UHFFFAOYSA-N 2 1 287.363 2.095 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000535033242 298180697 /nfs/dbraw/zinc/18/06/97/298180697.db2.gz YGLJEWDLWJLHHO-UHFFFAOYSA-N 2 1 287.363 2.095 20 0 CEADMP C[NH+]1CCN([C@H](C[NH2+]CC2CC2)c2cccs2)CC1 ZINC000538282680 298225996 /nfs/dbraw/zinc/22/59/96/298225996.db2.gz KYHLNCVOVVWZRU-CQSZACIVSA-N 2 1 279.453 2.036 20 0 CEADMP CC[NH+](CC)CCOCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000542691093 298298436 /nfs/dbraw/zinc/29/84/36/298298436.db2.gz AXMQLIGMCDCKPE-UHFFFAOYSA-N 2 1 290.411 2.011 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000548034449 298386699 /nfs/dbraw/zinc/38/66/99/298386699.db2.gz FRIDYTKSGABDOX-UHFFFAOYSA-N 2 1 287.392 2.433 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]CC1(O)CCC(C)CC1 ZINC000566791688 299021471 /nfs/dbraw/zinc/02/14/71/299021471.db2.gz DWGPTRLWWYDYRW-UHFFFAOYSA-N 2 1 265.401 2.112 20 0 CEADMP CCCNC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000567286770 299049907 /nfs/dbraw/zinc/04/99/07/299049907.db2.gz WJHOPTNRBXDERG-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCCNC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000567286770 299049910 /nfs/dbraw/zinc/04/99/10/299049910.db2.gz WJHOPTNRBXDERG-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCCNC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000567286770 299049913 /nfs/dbraw/zinc/04/99/13/299049913.db2.gz WJHOPTNRBXDERG-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nccn2CCc2ccccc2)C1 ZINC000567291236 299050149 /nfs/dbraw/zinc/05/01/49/299050149.db2.gz VBAFUOHNFAFQQE-SJORKVTESA-N 2 1 298.434 2.485 20 0 CEADMP CC[NH+]1CCC(NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000567320675 299051920 /nfs/dbraw/zinc/05/19/20/299051920.db2.gz JVCDTNSHQNJEGN-MRXNPFEDSA-N 2 1 265.445 2.077 20 0 CEADMP CC[NH+]1CCC([NH2+]C[C@H]2CCCCN2C2CC2)CC1 ZINC000567320675 299051923 /nfs/dbraw/zinc/05/19/23/299051923.db2.gz JVCDTNSHQNJEGN-MRXNPFEDSA-N 2 1 265.445 2.077 20 0 CEADMP Cc1ccnc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000353516758 302281290 /nfs/dbraw/zinc/28/12/90/302281290.db2.gz JUEQESBCFIJWBS-CVEARBPZSA-N 2 1 291.439 2.278 20 0 CEADMP CSC[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000517168121 313104774 /nfs/dbraw/zinc/10/47/74/313104774.db2.gz NCYAJTBGNUAPHE-CYBMUJFWSA-N 2 1 253.415 2.180 20 0 CEADMP CSC[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000517168121 313104775 /nfs/dbraw/zinc/10/47/75/313104775.db2.gz NCYAJTBGNUAPHE-CYBMUJFWSA-N 2 1 253.415 2.180 20 0 CEADMP CCc1ncc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cn1 ZINC000517326732 313108525 /nfs/dbraw/zinc/10/85/25/313108525.db2.gz KDTMOTAPGJEQMS-OAHLLOKOSA-N 2 1 284.363 2.087 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3cn(C)nc3c2)CC[N@H+]1C ZINC000527960796 313220641 /nfs/dbraw/zinc/22/06/41/313220641.db2.gz FBMSYUNGSIKMMK-SWLSCSKDSA-N 2 1 272.396 2.146 20 0 CEADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000527999770 313223731 /nfs/dbraw/zinc/22/37/31/313223731.db2.gz PWFCOSLKIVDLCH-JARUQAPTSA-N 2 1 254.418 2.261 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000535763735 313396980 /nfs/dbraw/zinc/39/69/80/313396980.db2.gz NLMWNKGEVGKKJE-MRXNPFEDSA-N 2 1 288.439 2.442 20 0 CEADMP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(CC[NH3+])CC1 ZINC000571291914 314082251 /nfs/dbraw/zinc/08/22/51/314082251.db2.gz WXKUICZYWHBDHL-LLVKDONJSA-N 2 1 280.416 2.489 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(C)CCCCCC1)C1CC1 ZINC000573556880 314167423 /nfs/dbraw/zinc/16/74/23/314167423.db2.gz IWSCVACLYLJUER-HNNXBMFYSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(C)CCCCCC1)C1CC1 ZINC000573556880 314167426 /nfs/dbraw/zinc/16/74/26/314167426.db2.gz IWSCVACLYLJUER-HNNXBMFYSA-N 2 1 268.445 2.392 20 0 CEADMP Fc1ccc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000576280097 314259842 /nfs/dbraw/zinc/25/98/42/314259842.db2.gz RVLXUHTWZGCKEL-INIZCTEOSA-N 2 1 278.371 2.280 20 0 CEADMP Fc1ccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000576280097 314259844 /nfs/dbraw/zinc/25/98/44/314259844.db2.gz RVLXUHTWZGCKEL-INIZCTEOSA-N 2 1 278.371 2.280 20 0 CEADMP CC(C)CCOCCN1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000576954475 314327052 /nfs/dbraw/zinc/32/70/52/314327052.db2.gz KPGHUYATHMHQBT-MRXNPFEDSA-N 2 1 298.471 2.234 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cnc(C3CC3)s2)CC[NH2+]1 ZINC000576959581 314328634 /nfs/dbraw/zinc/32/86/34/314328634.db2.gz LNWFFARRMAKIFC-MWLCHTKSSA-N 2 1 251.399 2.251 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)ccn1 ZINC000577525800 314387275 /nfs/dbraw/zinc/38/72/75/314387275.db2.gz SCTQUTNGRIHJTG-CYBMUJFWSA-N 2 1 263.385 2.227 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCCC[C@@H]2O)CC1 ZINC000577572856 314390015 /nfs/dbraw/zinc/39/00/15/314390015.db2.gz ZNWUSBYAWAKQMC-ZBFHGGJFSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCCC[C@H]2O)CC1 ZINC000577572853 314390088 /nfs/dbraw/zinc/39/00/88/314390088.db2.gz ZNWUSBYAWAKQMC-GDBMZVCRSA-N 2 1 268.445 2.342 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1nccn1C ZINC000183020729 321706721 /nfs/dbraw/zinc/70/67/21/321706721.db2.gz VFKNMXWZOMBEAQ-LBPRGKRZSA-N 2 1 261.373 2.056 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)ccn1 ZINC000580602405 322329462 /nfs/dbraw/zinc/32/94/62/322329462.db2.gz FNKRPTLKHPIZTK-NEPJUHHUSA-N 2 1 251.374 2.081 20 0 CEADMP COc1cc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)ccn1 ZINC000580602408 322330098 /nfs/dbraw/zinc/33/00/98/322330098.db2.gz FNKRPTLKHPIZTK-VXGBXAGGSA-N 2 1 251.374 2.081 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000584242606 327126056 /nfs/dbraw/zinc/12/60/56/327126056.db2.gz ZYFNWRINBVDSTH-OAGGEKHMSA-N 2 1 267.461 2.214 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000584242606 327126057 /nfs/dbraw/zinc/12/60/57/327126057.db2.gz ZYFNWRINBVDSTH-OAGGEKHMSA-N 3 1 267.461 2.214 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000584242606 327126059 /nfs/dbraw/zinc/12/60/59/327126059.db2.gz ZYFNWRINBVDSTH-OAGGEKHMSA-N 3 1 267.461 2.214 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@H]2O)C[C@H]1c1ccccc1 ZINC000392845709 329040537 /nfs/dbraw/zinc/04/05/37/329040537.db2.gz XHZSOHNERXXWEU-XWTMOSNGSA-N 2 1 288.435 2.212 20 0 CEADMP Cc1cc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)n(C)n1 ZINC000417929798 533734402 /nfs/dbraw/zinc/73/44/02/533734402.db2.gz JAWFLELTCFJBOF-CQSZACIVSA-N 2 1 266.433 2.185 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000415016832 533868678 /nfs/dbraw/zinc/86/86/78/533868678.db2.gz DEUKHTYHVDRXEZ-MRXNPFEDSA-N 3 1 289.467 2.411 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000156942396 533895800 /nfs/dbraw/zinc/89/58/00/533895800.db2.gz XDKPNLFQXFLBOG-HOCLYGCPSA-N 2 1 262.397 2.133 20 0 CEADMP C[C@H]([NH3+])CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000414826412 534175307 /nfs/dbraw/zinc/17/53/07/534175307.db2.gz VVGFIUMBGNLVJQ-DZKIICNBSA-N 3 1 267.461 2.356 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C[NH+](C)C(C)C)c1 ZINC000061622863 520256776 /nfs/dbraw/zinc/25/67/76/520256776.db2.gz BUNSTDJJPFENLL-UHFFFAOYSA-N 2 1 291.439 2.095 20 0 CEADMP CC[NH+](C)Cc1cccc(CNC(=O)C[N@H+](C)C(C)C)c1 ZINC000061622863 520256787 /nfs/dbraw/zinc/25/67/87/520256787.db2.gz BUNSTDJJPFENLL-UHFFFAOYSA-N 2 1 291.439 2.095 20 0 CEADMP CC[NH+](C)Cc1cccc(CNC(=O)C[N@@H+](C)C(C)C)c1 ZINC000061622863 520256794 /nfs/dbraw/zinc/25/67/94/520256794.db2.gz BUNSTDJJPFENLL-UHFFFAOYSA-N 2 1 291.439 2.095 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)NCC(C)(C)[NH+](C)C)c1ccccc1 ZINC000068230938 520274496 /nfs/dbraw/zinc/27/44/96/520274496.db2.gz PRDGIAVVXGCIKC-HNNXBMFYSA-N 2 1 291.439 2.136 20 0 CEADMP CC[N@H+]1CCc2c(cccc2NC(=O)C[NH+](C)C(C)C)C1 ZINC000366346869 521723904 /nfs/dbraw/zinc/72/39/04/521723904.db2.gz JNDLDJURENIICS-UHFFFAOYSA-N 2 1 289.423 2.343 20 0 CEADMP CC[NH+]1CCc2c(cccc2NC(=O)C[N@H+](C)C(C)C)C1 ZINC000366346869 521723906 /nfs/dbraw/zinc/72/39/06/521723906.db2.gz JNDLDJURENIICS-UHFFFAOYSA-N 2 1 289.423 2.343 20 0 CEADMP CC[NH+]1CCc2c(cccc2NC(=O)C[N@@H+](C)C(C)C)C1 ZINC000366346869 521723908 /nfs/dbraw/zinc/72/39/08/521723908.db2.gz JNDLDJURENIICS-UHFFFAOYSA-N 2 1 289.423 2.343 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[NH2+][C@@H](C(C)C)C2)c1C ZINC000068692586 521811525 /nfs/dbraw/zinc/81/15/25/521811525.db2.gz YWQNWZLGXSYURK-CQSZACIVSA-N 2 1 277.412 2.137 20 0 CEADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2F)C[C@@H]1C[NH3+] ZINC000163821442 524286954 /nfs/dbraw/zinc/28/69/54/524286954.db2.gz DQHLYVVEMLOIPN-STQMWFEESA-N 2 1 293.386 2.071 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@@H]1C[NH3+] ZINC000163875277 524510056 /nfs/dbraw/zinc/51/00/56/524510056.db2.gz WDJWNKRFEYFOGH-ZBFHGGJFSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccccc1F ZINC000358055558 524557627 /nfs/dbraw/zinc/55/76/27/524557627.db2.gz BXPAQALGZFIWML-JSGCOSHPSA-N 2 1 266.360 2.134 20 0 CEADMP C[C@@H](CN[C@@H]1CC[NH+](C)C[C@@H]1C)[N@H+]1CCC[C@H](C)C1 ZINC000155962769 524751030 /nfs/dbraw/zinc/75/10/30/524751030.db2.gz IKLHWGJGNNVYNH-YHUYYLMFSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCC[C@H](C)C1 ZINC000155962769 524751008 /nfs/dbraw/zinc/75/10/08/524751008.db2.gz IKLHWGJGNNVYNH-YHUYYLMFSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H](CN[C@@H]1CC[NH+](C)C[C@@H]1C)[N@@H+]1CCC[C@H](C)C1 ZINC000155962769 524751022 /nfs/dbraw/zinc/75/10/22/524751022.db2.gz IKLHWGJGNNVYNH-YHUYYLMFSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCOC2CCCCC2)CC[N@H+]1C ZINC000156149031 525266037 /nfs/dbraw/zinc/26/60/37/525266037.db2.gz HYVYQOMEJQMWQH-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2Cc3ccccc3N(C)C2)CC[N@H+]1C ZINC000364850450 525440246 /nfs/dbraw/zinc/44/02/46/525440246.db2.gz BLKQYJBHCGHFGJ-HLLBOEOZSA-N 2 1 287.451 2.367 20 0 CEADMP Cc1ccncc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000374397634 525743046 /nfs/dbraw/zinc/74/30/46/525743046.db2.gz DQSWTMBNYFMQRW-ZACQAIPSSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ccncc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000374397634 525743052 /nfs/dbraw/zinc/74/30/52/525743052.db2.gz DQSWTMBNYFMQRW-ZACQAIPSSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ccncc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000374397634 525743061 /nfs/dbraw/zinc/74/30/61/525743061.db2.gz DQSWTMBNYFMQRW-ZACQAIPSSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ccncc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000374397634 525743064 /nfs/dbraw/zinc/74/30/64/525743064.db2.gz DQSWTMBNYFMQRW-ZACQAIPSSA-N 2 1 271.408 2.306 20 0 CEADMP CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116396691 527739767 /nfs/dbraw/zinc/73/97/67/527739767.db2.gz WCTVRDMZCYTMCS-GJZGRUSLSA-N 2 1 299.503 2.493 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000178978765 527752279 /nfs/dbraw/zinc/75/22/79/527752279.db2.gz WXKNLLLXWGBCRO-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000178978765 527752286 /nfs/dbraw/zinc/75/22/86/527752286.db2.gz WXKNLLLXWGBCRO-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000178978765 527752291 /nfs/dbraw/zinc/75/22/91/527752291.db2.gz WXKNLLLXWGBCRO-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000178978765 527752298 /nfs/dbraw/zinc/75/22/98/527752298.db2.gz WXKNLLLXWGBCRO-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc(C)oc2C)[C@H](C)C1 ZINC000357800546 527800033 /nfs/dbraw/zinc/80/00/33/527800033.db2.gz WSFKGCUOQCOXPJ-BXUZGUMPSA-N 2 1 265.401 2.154 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCc2c(C)noc2C)C1 ZINC000166283597 527837150 /nfs/dbraw/zinc/83/71/50/527837150.db2.gz UZALTJOQHIBVAI-CQSZACIVSA-N 2 1 265.401 2.108 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2c(C)noc2C)C1 ZINC000166283597 527837154 /nfs/dbraw/zinc/83/71/54/527837154.db2.gz UZALTJOQHIBVAI-CQSZACIVSA-N 2 1 265.401 2.108 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2c(C)noc2C)C1 ZINC000166283597 527837159 /nfs/dbraw/zinc/83/71/59/527837159.db2.gz UZALTJOQHIBVAI-CQSZACIVSA-N 2 1 265.401 2.108 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2c(C)noc2C)C1 ZINC000166283597 527837162 /nfs/dbraw/zinc/83/71/62/527837162.db2.gz UZALTJOQHIBVAI-CQSZACIVSA-N 2 1 265.401 2.108 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)C12CCCC2 ZINC000401838834 527940235 /nfs/dbraw/zinc/94/02/35/527940235.db2.gz MLLHYKOQIJOLEE-LSDHHAIUSA-N 2 1 277.412 2.290 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000357383875 528569795 /nfs/dbraw/zinc/56/97/95/528569795.db2.gz SOZQSRIPPDUQRP-CABCVRRESA-N 2 1 297.487 2.247 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000357486562 528996970 /nfs/dbraw/zinc/99/69/70/528996970.db2.gz MWRUICWRAFMLNQ-CABCVRRESA-N 2 1 297.487 2.390 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnn2C)C1 ZINC000192830846 529024774 /nfs/dbraw/zinc/02/47/74/529024774.db2.gz XXRIORHUVXRVJV-UONOGXRCSA-N 2 1 264.417 2.191 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnn2C)C1 ZINC000192830846 529024779 /nfs/dbraw/zinc/02/47/79/529024779.db2.gz XXRIORHUVXRVJV-UONOGXRCSA-N 2 1 264.417 2.191 20 0 CEADMP CC[NH+](CC)CCC[N@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000191493466 535502715 /nfs/dbraw/zinc/50/27/15/535502715.db2.gz BCBDCXFRBZQQFI-QGZVFWFLSA-N 2 1 294.439 2.392 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000191493466 535502720 /nfs/dbraw/zinc/50/27/20/535502720.db2.gz BCBDCXFRBZQQFI-QGZVFWFLSA-N 2 1 294.439 2.392 20 0 CEADMP CCS[C@H]1CCCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000732588994 574623967 /nfs/dbraw/zinc/62/39/67/574623967.db2.gz BXKDKCOHLWGSFP-GJZGRUSLSA-N 2 1 286.485 2.051 20 0 CEADMP CC(C)[NH2+]C1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000733299379 574663264 /nfs/dbraw/zinc/66/32/64/574663264.db2.gz BYJXSKIWGOYUGD-UHFFFAOYSA-N 2 1 289.427 2.044 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1COc2ccccc2O1 ZINC000738877007 574883099 /nfs/dbraw/zinc/88/30/99/574883099.db2.gz NNNMXDVRHRATMW-OAHLLOKOSA-N 2 1 290.407 2.100 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC[NH+](C)C1 ZINC000747100032 575167259 /nfs/dbraw/zinc/16/72/59/575167259.db2.gz OCUCLWUCRXSLIB-QGZVFWFLSA-N 2 1 289.467 2.438 20 0 CEADMP C[NH+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC[N@H+](C)C1 ZINC000747100032 575167260 /nfs/dbraw/zinc/16/72/60/575167260.db2.gz OCUCLWUCRXSLIB-QGZVFWFLSA-N 2 1 289.467 2.438 20 0 CEADMP C[NH+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC[N@@H+](C)C1 ZINC000747100032 575167261 /nfs/dbraw/zinc/16/72/61/575167261.db2.gz OCUCLWUCRXSLIB-QGZVFWFLSA-N 2 1 289.467 2.438 20 0 CEADMP CN1CC[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000747100032 575167262 /nfs/dbraw/zinc/16/72/62/575167262.db2.gz OCUCLWUCRXSLIB-QGZVFWFLSA-N 2 1 289.467 2.438 20 0 CEADMP CN1CC[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000747100032 575167263 /nfs/dbraw/zinc/16/72/63/575167263.db2.gz OCUCLWUCRXSLIB-QGZVFWFLSA-N 2 1 289.467 2.438 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000750983742 575280978 /nfs/dbraw/zinc/28/09/78/575280978.db2.gz MTKZEAAUDKVJNS-OAHLLOKOSA-N 2 1 298.496 2.195 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000750983742 575280979 /nfs/dbraw/zinc/28/09/79/575280979.db2.gz MTKZEAAUDKVJNS-OAHLLOKOSA-N 2 1 298.496 2.195 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000960629447 614260798 /nfs/dbraw/zinc/26/07/98/614260798.db2.gz RDALICONYKQFEJ-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000960629447 614260800 /nfs/dbraw/zinc/26/08/00/614260800.db2.gz RDALICONYKQFEJ-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000960629447 614260802 /nfs/dbraw/zinc/26/08/02/614260802.db2.gz RDALICONYKQFEJ-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP CCC(CC)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000949741769 614559280 /nfs/dbraw/zinc/55/92/80/614559280.db2.gz BXYQUCCSZSZXIW-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC(C)C)C1 ZINC000980485454 615114398 /nfs/dbraw/zinc/11/43/98/615114398.db2.gz KBGGXGJOSAKXQV-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC(C)C)C1 ZINC000980485454 615114400 /nfs/dbraw/zinc/11/44/00/615114400.db2.gz KBGGXGJOSAKXQV-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(C)C)C1 ZINC000980485454 615114401 /nfs/dbraw/zinc/11/44/01/615114401.db2.gz KBGGXGJOSAKXQV-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CSCCS1 ZINC000310211462 625426547 /nfs/dbraw/zinc/42/65/47/625426547.db2.gz DJVRUUXSPLFSPN-ZDUSSCGKSA-N 2 1 272.483 2.051 20 0 CEADMP Cn1cc(C[NH2+]CCC[NH+]2CCCCC2)c(C2CC2)n1 ZINC000892460435 625523662 /nfs/dbraw/zinc/52/36/62/625523662.db2.gz BYXKSRYKNWSSMK-UHFFFAOYSA-N 2 1 276.428 2.263 20 0 CEADMP CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024437091 625559691 /nfs/dbraw/zinc/55/96/91/625559691.db2.gz NMKCGQFIMRWQCI-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001024437091 625559697 /nfs/dbraw/zinc/55/96/97/625559697.db2.gz NMKCGQFIMRWQCI-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001024437091 625559703 /nfs/dbraw/zinc/55/97/03/625559703.db2.gz NMKCGQFIMRWQCI-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001020502109 622661120 /nfs/dbraw/zinc/66/11/20/622661120.db2.gz CKTPRLHPDKRHFA-IIAWOOMASA-N 2 1 293.455 2.040 20 0 CEADMP Cc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)cnc1F ZINC000892480009 625611418 /nfs/dbraw/zinc/61/14/18/625611418.db2.gz XDMZPYCDTMKNQD-UHFFFAOYSA-N 2 1 265.376 2.492 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890883846 623040710 /nfs/dbraw/zinc/04/07/10/623040710.db2.gz QDUXCTPHENBWMW-UHFFFAOYSA-N 2 1 294.443 2.018 20 0 CEADMP CCC[N@@H+](CCC(C)(C)C(=O)OC)C1CC[NH2+]CC1 ZINC000261822976 623484445 /nfs/dbraw/zinc/48/44/45/623484445.db2.gz ILKJUIHVVKQYEW-UHFFFAOYSA-N 2 1 270.417 2.040 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308360692 623673914 /nfs/dbraw/zinc/67/39/14/623673914.db2.gz GQXAVUKQRDRLJD-BFHYXJOUSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308360692 623673921 /nfs/dbraw/zinc/67/39/21/623673921.db2.gz GQXAVUKQRDRLJD-BFHYXJOUSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](C2CCC2)C2CCCC2)C1 ZINC000926173437 623744769 /nfs/dbraw/zinc/74/47/69/623744769.db2.gz KRLMJRWSOFUHHX-CVEARBPZSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](C2CCC2)C2CCCC2)C1 ZINC000926173437 623744774 /nfs/dbraw/zinc/74/47/74/623744774.db2.gz KRLMJRWSOFUHHX-CVEARBPZSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](C2CCC2)C2CCCC2)C1 ZINC000926173439 623745233 /nfs/dbraw/zinc/74/52/33/623745233.db2.gz KRLMJRWSOFUHHX-HOTGVXAUSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](C2CCC2)C2CCCC2)C1 ZINC000926173439 623745236 /nfs/dbraw/zinc/74/52/36/623745236.db2.gz KRLMJRWSOFUHHX-HOTGVXAUSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CCOCc3ccccc3)C[C@]2(C)C1 ZINC000933733284 623982216 /nfs/dbraw/zinc/98/22/16/623982216.db2.gz HKVBASBJYFNFDX-SJORKVTESA-N 2 1 274.408 2.087 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](CCOCc3ccccc3)C[C@]2(C)C1 ZINC000933733284 623982222 /nfs/dbraw/zinc/98/22/22/623982222.db2.gz HKVBASBJYFNFDX-SJORKVTESA-N 2 1 274.408 2.087 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@]2(C)C1 ZINC000933733284 623982227 /nfs/dbraw/zinc/98/22/27/623982227.db2.gz HKVBASBJYFNFDX-SJORKVTESA-N 2 1 274.408 2.087 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@]2(C)C1 ZINC000933733284 623982231 /nfs/dbraw/zinc/98/22/31/623982231.db2.gz HKVBASBJYFNFDX-SJORKVTESA-N 2 1 274.408 2.087 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](CCCOCc3ccccc3)C[C@]2(C)C1 ZINC000933737458 623985883 /nfs/dbraw/zinc/98/58/83/623985883.db2.gz PYTBEUUWISGBCQ-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCCOCc3ccccc3)C[C@]2(C)C1 ZINC000933737458 623985885 /nfs/dbraw/zinc/98/58/85/623985885.db2.gz PYTBEUUWISGBCQ-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCCOCc3ccccc3)C[C@]2(C)C1 ZINC000933737458 623985889 /nfs/dbraw/zinc/98/58/89/623985889.db2.gz PYTBEUUWISGBCQ-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP C[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ncnn1C ZINC000926263653 624039306 /nfs/dbraw/zinc/03/93/06/624039306.db2.gz YVVOGUUUPRUJQU-STQMWFEESA-N 2 1 287.411 2.289 20 0 CEADMP COc1nccc(C[N@H+](C)CC2CC[NH+](C)CC2)c1F ZINC000891933716 624114599 /nfs/dbraw/zinc/11/45/99/624114599.db2.gz MEMXACMJEVNQJE-UHFFFAOYSA-N 2 1 281.375 2.003 20 0 CEADMP COc1nccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1F ZINC000891933716 624114603 /nfs/dbraw/zinc/11/46/03/624114603.db2.gz MEMXACMJEVNQJE-UHFFFAOYSA-N 2 1 281.375 2.003 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]2(C)Br)C1 ZINC000892032932 624263126 /nfs/dbraw/zinc/26/31/26/624263126.db2.gz AKHDNZRTIQLYBQ-SDDRHHMPSA-N 2 1 275.234 2.043 20 0 CEADMP COCCCC1(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CCC1 ZINC000892034947 624264595 /nfs/dbraw/zinc/26/45/95/624264595.db2.gz VKOZAWUCIUMTJN-HNNXBMFYSA-N 2 1 268.445 2.467 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2OCC3)C1 ZINC000892144705 624355031 /nfs/dbraw/zinc/35/50/31/624355031.db2.gz PEFMKNJZXJQJPY-CQSZACIVSA-N 2 1 274.408 2.395 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2OCC3)C1 ZINC000892144705 624355033 /nfs/dbraw/zinc/35/50/33/624355033.db2.gz PEFMKNJZXJQJPY-CQSZACIVSA-N 2 1 274.408 2.395 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3c2OCC3)C1 ZINC000892144705 624355035 /nfs/dbraw/zinc/35/50/35/624355035.db2.gz PEFMKNJZXJQJPY-CQSZACIVSA-N 2 1 274.408 2.395 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3c2OCC3)C1 ZINC000892144705 624355036 /nfs/dbraw/zinc/35/50/36/624355036.db2.gz PEFMKNJZXJQJPY-CQSZACIVSA-N 2 1 274.408 2.395 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000044529518 624462475 /nfs/dbraw/zinc/46/24/75/624462475.db2.gz JAPIEUGJTFOPQR-OAHLLOKOSA-N 2 1 262.397 2.353 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000926419239 624613439 /nfs/dbraw/zinc/61/34/39/624613439.db2.gz SENUCLCYHJCAIB-UIDBIOKJSA-N 2 1 266.429 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000926419239 624613453 /nfs/dbraw/zinc/61/34/53/624613453.db2.gz SENUCLCYHJCAIB-UIDBIOKJSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC12CCSCC2 ZINC000926602812 625243362 /nfs/dbraw/zinc/24/33/62/625243362.db2.gz XOOLCXRSHITXQD-PEUVFPKISA-N 2 1 280.481 2.450 20 0 CEADMP COc1nccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1F ZINC000892510075 625742604 /nfs/dbraw/zinc/74/26/04/625742604.db2.gz GIBHDNSMOZRZKF-LLVKDONJSA-N 2 1 292.358 2.160 20 0 CEADMP CN(C(=O)C[N@@H+](C)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000154740854 625775743 /nfs/dbraw/zinc/77/57/43/625775743.db2.gz JJIMSHWTXPDZLR-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CCc1onc(C)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000892521409 625894238 /nfs/dbraw/zinc/89/42/38/625894238.db2.gz SPGRIFQYLKUCSI-LLVKDONJSA-N 2 1 276.384 2.476 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)nc1 ZINC000892521492 625894251 /nfs/dbraw/zinc/89/42/51/625894251.db2.gz VXYGRLSBGVUISM-GFCCVEGCSA-N 2 1 274.368 2.021 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(-n2cnnc2)c1 ZINC000820805071 634532402 /nfs/dbraw/zinc/53/24/02/634532402.db2.gz DWKXJELEFSNDFG-CYBMUJFWSA-N 2 1 285.395 2.012 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@H]2CCCO)CCOCC1 ZINC000820811153 634536287 /nfs/dbraw/zinc/53/62/87/634536287.db2.gz LQNXBXXDUGDDRM-HOTGVXAUSA-N 2 1 298.471 2.018 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCO1 ZINC000820828829 634543450 /nfs/dbraw/zinc/54/34/50/634543450.db2.gz BYVXIDZWKMJDPD-LVMBCBDASA-N 2 1 264.413 2.301 20 0 CEADMP COCC[N@H+](C)CCC[NH2+]Cc1c(C)nn(C(C)C)c1C ZINC000892560182 627272156 /nfs/dbraw/zinc/27/21/56/627272156.db2.gz SXDLAKCTRFXVRB-UHFFFAOYSA-N 2 1 296.459 2.139 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1c(C)nn(C(C)C)c1C ZINC000892560182 627272162 /nfs/dbraw/zinc/27/21/62/627272162.db2.gz SXDLAKCTRFXVRB-UHFFFAOYSA-N 2 1 296.459 2.139 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC)c(C)c2)C1 ZINC000892614801 627312333 /nfs/dbraw/zinc/31/23/33/627312333.db2.gz UXKKXMTZEKZEBK-HNNXBMFYSA-N 2 1 290.407 2.213 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cnc1F ZINC000892624043 627321464 /nfs/dbraw/zinc/32/14/64/627321464.db2.gz YPOWCNPEQIMCSQ-GFCCVEGCSA-N 2 1 265.376 2.351 20 0 CEADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000310949430 627326231 /nfs/dbraw/zinc/32/62/31/627326231.db2.gz NHXAZQXRXMTILM-HNNXBMFYSA-N 2 1 254.418 2.098 20 0 CEADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000310949430 627326237 /nfs/dbraw/zinc/32/62/37/627326237.db2.gz NHXAZQXRXMTILM-HNNXBMFYSA-N 2 1 254.418 2.098 20 0 CEADMP CN1CCC[C@@H]2C[N@@H+](CCC(=O)C(C)(C)C)CC[C@@H]21 ZINC000167646313 627666844 /nfs/dbraw/zinc/66/68/44/627666844.db2.gz JPLNWLSJIMQJEW-KGLIPLIRSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2cc[nH+]cc2CO)C1 ZINC000892703648 627692961 /nfs/dbraw/zinc/69/29/61/627692961.db2.gz MMGUBZUVGDCDCA-KRWDZBQOSA-N 2 1 297.402 2.285 20 0 CEADMP CCC1CCC([N@H+](C)C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000311763284 627698216 /nfs/dbraw/zinc/69/82/16/627698216.db2.gz VFHPIEKWCIGPKR-UYSNPLJNSA-N 2 1 268.445 2.344 20 0 CEADMP CCC1CCC([N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000311763284 627698218 /nfs/dbraw/zinc/69/82/18/627698218.db2.gz VFHPIEKWCIGPKR-UYSNPLJNSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000314049525 627865885 /nfs/dbraw/zinc/86/58/85/627865885.db2.gz TVXWTGJPRCWBLL-MSOLQXFVSA-N 2 1 288.435 2.364 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000314049525 627865891 /nfs/dbraw/zinc/86/58/91/627865891.db2.gz TVXWTGJPRCWBLL-MSOLQXFVSA-N 2 1 288.435 2.364 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000314049525 627865897 /nfs/dbraw/zinc/86/58/97/627865897.db2.gz TVXWTGJPRCWBLL-MSOLQXFVSA-N 2 1 288.435 2.364 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000314049525 627865904 /nfs/dbraw/zinc/86/59/04/627865904.db2.gz TVXWTGJPRCWBLL-MSOLQXFVSA-N 2 1 288.435 2.364 20 0 CEADMP CCCSC[C@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000892966628 627906461 /nfs/dbraw/zinc/90/64/61/627906461.db2.gz BMLJRTBTAAQNTL-ZDUSSCGKSA-N 2 1 274.474 2.219 20 0 CEADMP Cc1cc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)n[nH]1 ZINC000902359556 634615915 /nfs/dbraw/zinc/61/59/15/634615915.db2.gz DIWCQEUHDXDAAH-DGCLKSJQSA-N 2 1 264.417 2.017 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1nccn1C1CC1 ZINC000893030527 627955607 /nfs/dbraw/zinc/95/56/07/627955607.db2.gz RWOZZCHUQONNKH-UHFFFAOYSA-N 2 1 273.384 2.293 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](CO)c2cccc(F)c2)C1 ZINC000902362831 634618440 /nfs/dbraw/zinc/61/84/40/634618440.db2.gz SDONNHHWKHGRAR-LSDHHAIUSA-N 2 1 280.387 2.227 20 0 CEADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893077856 627984083 /nfs/dbraw/zinc/98/40/83/627984083.db2.gz NKDSDGIURAZBFT-RJPYNODJSA-N 2 1 290.455 2.183 20 0 CEADMP C[N@@H+](CCN[C@H]1CC[NH2+]C12CCCC2)Cc1ccccc1 ZINC000925502092 627986345 /nfs/dbraw/zinc/98/63/45/627986345.db2.gz KGSJADYYJAPOBD-KRWDZBQOSA-N 2 1 287.451 2.383 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]CC2([NH3+])CC2)c(C)c1OC ZINC000902405603 634621259 /nfs/dbraw/zinc/62/12/59/634621259.db2.gz JGVHQACNVKGUHM-NSHDSACASA-N 2 1 278.396 2.024 20 0 CEADMP [NH3+]C1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000902407122 634621863 /nfs/dbraw/zinc/62/18/63/634621863.db2.gz POVCKZXUXPGEMX-DOMZBBRYSA-N 2 1 278.371 2.374 20 0 CEADMP C[C@H]([NH3+])[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000925514864 628052639 /nfs/dbraw/zinc/05/26/39/628052639.db2.gz GQCLEUUMQSSOME-CLWVCHIJSA-N 2 1 261.413 2.147 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902393425 634632786 /nfs/dbraw/zinc/63/27/86/634632786.db2.gz QXZDBUINWUDYHZ-MRXNPFEDSA-N 2 1 275.440 2.274 20 0 CEADMP CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000312317518 628225980 /nfs/dbraw/zinc/22/59/80/628225980.db2.gz GTMUCQJTADXCLB-RYUDHWBXSA-N 2 1 294.361 2.106 20 0 CEADMP CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000312317518 628225981 /nfs/dbraw/zinc/22/59/81/628225981.db2.gz GTMUCQJTADXCLB-RYUDHWBXSA-N 2 1 294.361 2.106 20 0 CEADMP COC(=O)Nc1ccc(CC[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000925580758 628258659 /nfs/dbraw/zinc/25/86/59/628258659.db2.gz MLYJZKUOULQRHM-AWEZNQCLSA-N 2 1 291.395 2.138 20 0 CEADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925608808 628290160 /nfs/dbraw/zinc/29/01/60/628290160.db2.gz KFDXHTNYZQNQFS-WFASDCNBSA-N 2 1 260.381 2.197 20 0 CEADMP CSc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)ccn1 ZINC000925617506 628305262 /nfs/dbraw/zinc/30/52/62/628305262.db2.gz WJGXCCUBGCYFHF-RYUDHWBXSA-N 2 1 263.410 2.163 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1N ZINC000902429943 634650937 /nfs/dbraw/zinc/65/09/37/634650937.db2.gz BODNCHAZGLAROX-JBBXEZCESA-N 2 1 296.418 2.124 20 0 CEADMP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925628403 628323650 /nfs/dbraw/zinc/32/36/50/628323650.db2.gz FFRCYAPKPVHSRJ-RBSFLKMASA-N 2 1 292.423 2.440 20 0 CEADMP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[NH2+][C@@H]3C)c21 ZINC000925628490 628323659 /nfs/dbraw/zinc/32/36/59/628323659.db2.gz HOENMMRFRGTNLL-TZMCWYRMSA-N 2 1 287.407 2.449 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@@H]1COC2(CCCCC2)O1 ZINC000925635812 628334384 /nfs/dbraw/zinc/33/43/84/628334384.db2.gz PEEQZSXYZREDEB-CABCVRRESA-N 2 1 294.439 2.327 20 0 CEADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CCC[NH2+][C@H]2C)n1 ZINC000925647180 628349180 /nfs/dbraw/zinc/34/91/80/628349180.db2.gz ACDWHDMFEAVETN-ADEWGFFLSA-N 2 1 253.415 2.285 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccnn1C ZINC000925650380 628353516 /nfs/dbraw/zinc/35/35/16/628353516.db2.gz UFOQILJSNQLUPH-GDBMZVCRSA-N 2 1 290.455 2.424 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)[C@H]1CCCC[NH2+]1 ZINC000902430140 634651562 /nfs/dbraw/zinc/65/15/62/634651562.db2.gz OYIXBZGSNGQCAO-MYPMTAMASA-N 2 1 252.402 2.064 20 0 CEADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccnc1 ZINC000925692675 628511053 /nfs/dbraw/zinc/51/10/53/628511053.db2.gz PEJMCPSDHIYBAN-CQSZACIVSA-N 2 1 259.397 2.233 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925693545 628514505 /nfs/dbraw/zinc/51/45/05/628514505.db2.gz PMNMXPQTZOYERF-LXTVHRRPSA-N 2 1 254.418 2.155 20 0 CEADMP C[NH+]1C[C@]2(C)C[NH+](CC[C@H](O)c3ccccc3)C[C@@]2(C)C1 ZINC000931314009 628514895 /nfs/dbraw/zinc/51/48/95/628514895.db2.gz IEWXNEFSXXKQQS-RCCFBDPRSA-N 2 1 288.435 2.384 20 0 CEADMP C[N@@H+]1C[C@]2(C)C[NH+](CC[C@@H](O)c3ccccc3)C[C@]2(C)C1 ZINC000931314006 628515450 /nfs/dbraw/zinc/51/54/50/628515450.db2.gz IEWXNEFSXXKQQS-KURKYZTESA-N 2 1 288.435 2.384 20 0 CEADMP C[N@H+]1C[C@]2(C)C[NH+](CC[C@@H](O)c3ccccc3)C[C@]2(C)C1 ZINC000931314006 628515451 /nfs/dbraw/zinc/51/54/51/628515451.db2.gz IEWXNEFSXXKQQS-KURKYZTESA-N 2 1 288.435 2.384 20 0 CEADMP C[NH+]1C[C@]2(C)C[N@H+](CC[C@@H](O)c3ccccc3)C[C@]2(C)C1 ZINC000931314006 628515452 /nfs/dbraw/zinc/51/54/52/628515452.db2.gz IEWXNEFSXXKQQS-KURKYZTESA-N 2 1 288.435 2.384 20 0 CEADMP C[NH+]1C[C@]2(C)C[N@@H+](CC[C@@H](O)c3ccccc3)C[C@]2(C)C1 ZINC000931314006 628515453 /nfs/dbraw/zinc/51/54/53/628515453.db2.gz IEWXNEFSXXKQQS-KURKYZTESA-N 2 1 288.435 2.384 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925704260 628547812 /nfs/dbraw/zinc/54/78/12/628547812.db2.gz DJJLMDWSOXXULI-HUUCEWRRSA-N 2 1 274.412 2.047 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000925706551 628553234 /nfs/dbraw/zinc/55/32/34/628553234.db2.gz LPGXKEVTKPIZHZ-HIFRSBDPSA-N 2 1 265.445 2.124 20 0 CEADMP C1CC2(C1)C[C@@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)CC[NH2+]2 ZINC000925706614 628553324 /nfs/dbraw/zinc/55/33/24/628553324.db2.gz NPBYJPSGTYXYHR-ULQDDVLXSA-N 3 1 291.483 2.419 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925714152 628570102 /nfs/dbraw/zinc/57/01/02/628570102.db2.gz WBDPXRRZPZHFFL-GJZGRUSLSA-N 3 1 269.477 2.460 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925714152 628570103 /nfs/dbraw/zinc/57/01/03/628570103.db2.gz WBDPXRRZPZHFFL-GJZGRUSLSA-N 3 1 269.477 2.460 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925714152 628570104 /nfs/dbraw/zinc/57/01/04/628570104.db2.gz WBDPXRRZPZHFFL-GJZGRUSLSA-N 3 1 269.477 2.460 20 0 CEADMP CC(C)CO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(C)C ZINC000902478992 634669748 /nfs/dbraw/zinc/66/97/48/634669748.db2.gz ZKQGZZTWYLGLPF-SEBNEYGDSA-N 2 1 266.429 2.309 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH+]2CCN(c3cccc(F)c3)CC2)C12CCC2 ZINC000925727403 628646245 /nfs/dbraw/zinc/64/62/45/628646245.db2.gz OZOYBICRYCMRAZ-HOTGVXAUSA-N 2 1 289.398 2.218 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)[C@H]1CCCC[NH2+]1 ZINC000925734329 628692070 /nfs/dbraw/zinc/69/20/70/628692070.db2.gz QPTDWUVYMTVANC-OWCLPIDISA-N 2 1 296.455 2.082 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCSC(F)(F)F)C[C@H]21 ZINC000228757114 628923346 /nfs/dbraw/zinc/92/33/46/628923346.db2.gz KGSLVRUQUDURJH-IVZWLZJFSA-N 2 1 268.348 2.299 20 0 CEADMP C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925837289 628934926 /nfs/dbraw/zinc/93/49/26/628934926.db2.gz DOFZYEPXOPYZAT-YYWYGQEZSA-N 2 1 291.483 2.419 20 0 CEADMP COc1ccccc1OCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261628287 628952561 /nfs/dbraw/zinc/95/25/61/628952561.db2.gz HIQZMTQPWPVYPD-UHFFFAOYSA-N 2 1 290.407 2.150 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000902514538 634709299 /nfs/dbraw/zinc/70/92/99/634709299.db2.gz PGMBDGFKNCXINZ-UONOGXRCSA-N 2 1 272.396 2.392 20 0 CEADMP Cn1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(C2CC2)n1 ZINC000894037241 629104389 /nfs/dbraw/zinc/10/43/89/629104389.db2.gz GGHBZUFTKRPREJ-HNNXBMFYSA-N 2 1 276.428 2.214 20 0 CEADMP Cn1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(C2CC2)n1 ZINC000894037241 629104392 /nfs/dbraw/zinc/10/43/92/629104392.db2.gz GGHBZUFTKRPREJ-HNNXBMFYSA-N 2 1 276.428 2.214 20 0 CEADMP Cc1coc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000894093421 629120674 /nfs/dbraw/zinc/12/06/74/629120674.db2.gz FIKIGQSUMYVTJX-VNQPRFMTSA-N 2 1 278.396 2.272 20 0 CEADMP Cc1coc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000894093421 629120676 /nfs/dbraw/zinc/12/06/76/629120676.db2.gz FIKIGQSUMYVTJX-VNQPRFMTSA-N 2 1 278.396 2.272 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc[nH]1 ZINC000894180067 629193108 /nfs/dbraw/zinc/19/31/08/629193108.db2.gz IVEABYSYGDTPKW-ZDUSSCGKSA-N 2 1 250.390 2.154 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c[nH]cn1 ZINC000894180067 629193112 /nfs/dbraw/zinc/19/31/12/629193112.db2.gz IVEABYSYGDTPKW-ZDUSSCGKSA-N 2 1 250.390 2.154 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c[nH]cn1 ZINC000894180067 629193115 /nfs/dbraw/zinc/19/31/15/629193115.db2.gz IVEABYSYGDTPKW-ZDUSSCGKSA-N 2 1 250.390 2.154 20 0 CEADMP Cc1noc2ncc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc12 ZINC000894188392 629198853 /nfs/dbraw/zinc/19/88/53/629198853.db2.gz XAZHTJGKNCXLIV-ZIAGYGMSSA-N 2 1 286.379 2.248 20 0 CEADMP Cc1noc2ncc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc12 ZINC000894188392 629198855 /nfs/dbraw/zinc/19/88/55/629198855.db2.gz XAZHTJGKNCXLIV-ZIAGYGMSSA-N 2 1 286.379 2.248 20 0 CEADMP Cc1noc2ncc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc12 ZINC000894188392 629198857 /nfs/dbraw/zinc/19/88/57/629198857.db2.gz XAZHTJGKNCXLIV-ZIAGYGMSSA-N 2 1 286.379 2.248 20 0 CEADMP COC(=O)c1cc(C[NH2+]CCCn2cc[nH+]c2C)cs1 ZINC000894193754 629200058 /nfs/dbraw/zinc/20/00/58/629200058.db2.gz JWEBRHJRHJCXJG-UHFFFAOYSA-N 2 1 293.392 2.220 20 0 CEADMP O=S1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000894223927 629237610 /nfs/dbraw/zinc/23/76/10/629237610.db2.gz RBEBOTJQZOBMEU-FXUPRZHBSA-N 2 1 298.496 2.284 20 0 CEADMP O=S1CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000894223927 629237611 /nfs/dbraw/zinc/23/76/11/629237611.db2.gz RBEBOTJQZOBMEU-FXUPRZHBSA-N 2 1 298.496 2.284 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000894307407 629330277 /nfs/dbraw/zinc/33/02/77/629330277.db2.gz HCEMJCMYEIDRJL-AGUYFDCRSA-N 2 1 274.412 2.077 20 0 CEADMP CCSc1ccccc1C[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000924993704 629331037 /nfs/dbraw/zinc/33/10/37/629331037.db2.gz QMUGQXDCSVHKPC-DZGCQCFKSA-N 2 1 296.480 2.242 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+]C(C1CCCC1)C1CCCC1 ZINC000924994444 629331692 /nfs/dbraw/zinc/33/16/92/629331692.db2.gz QDHXTBIEGIZZDW-OAHLLOKOSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc2c1OCO2 ZINC000925013250 629353621 /nfs/dbraw/zinc/35/36/21/629353621.db2.gz ZTLPHGANHSHFLE-OLZOCXBDSA-N 2 1 276.380 2.408 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc2c1OCO2 ZINC000925013250 629353625 /nfs/dbraw/zinc/35/36/25/629353625.db2.gz ZTLPHGANHSHFLE-OLZOCXBDSA-N 2 1 276.380 2.408 20 0 CEADMP [NH3+][C@@H]1C[N@H+](C[C@H]2CCSC2)C[C@H]1c1ccccc1 ZINC000261941732 629361820 /nfs/dbraw/zinc/36/18/20/629361820.db2.gz MSJAGYUPNOKVFP-VHDGCEQUSA-N 2 1 262.422 2.166 20 0 CEADMP [NH3+][C@@H]1C[N@@H+](C[C@H]2CCSC2)C[C@H]1c1ccccc1 ZINC000261941732 629361823 /nfs/dbraw/zinc/36/18/23/629361823.db2.gz MSJAGYUPNOKVFP-VHDGCEQUSA-N 2 1 262.422 2.166 20 0 CEADMP CSC1CC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000925057167 629418821 /nfs/dbraw/zinc/41/88/21/629418821.db2.gz NYXNQLDDUPRCHW-SHARSMKWSA-N 2 1 284.469 2.113 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@@]2(C)Br)C1 ZINC000894457238 629471240 /nfs/dbraw/zinc/47/12/40/629471240.db2.gz WNYKHWWANVBKDW-JHJVBQTASA-N 2 1 289.261 2.480 20 0 CEADMP Cc1nnc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000894478899 629485842 /nfs/dbraw/zinc/48/58/42/629485842.db2.gz FZMDXBVHXFSHLB-ZDUSSCGKSA-N 2 1 280.441 2.010 20 0 CEADMP Cc1nnc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000894478899 629485845 /nfs/dbraw/zinc/48/58/45/629485845.db2.gz FZMDXBVHXFSHLB-ZDUSSCGKSA-N 2 1 280.441 2.010 20 0 CEADMP CC(C)CCOCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000880134700 629489595 /nfs/dbraw/zinc/48/95/95/629489595.db2.gz UVGRRRXOLUMYJX-GJZGRUSLSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)CCOCCN1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880134700 629489600 /nfs/dbraw/zinc/48/96/00/629489600.db2.gz UVGRRRXOLUMYJX-GJZGRUSLSA-N 2 1 254.418 2.218 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000894495466 629497813 /nfs/dbraw/zinc/49/78/13/629497813.db2.gz JZLFLAOPTGSTLZ-OCCSQVGLSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000894495466 629497816 /nfs/dbraw/zinc/49/78/16/629497816.db2.gz JZLFLAOPTGSTLZ-OCCSQVGLSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)o1 ZINC000894495466 629497820 /nfs/dbraw/zinc/49/78/20/629497820.db2.gz JZLFLAOPTGSTLZ-OCCSQVGLSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)o1 ZINC000894495466 629497824 /nfs/dbraw/zinc/49/78/24/629497824.db2.gz JZLFLAOPTGSTLZ-OCCSQVGLSA-N 2 1 264.369 2.204 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCSC[C@H]2C2CC2)CC1 ZINC000894732128 629610574 /nfs/dbraw/zinc/61/05/74/629610574.db2.gz ZWSWKMPQGSCMTN-AWEZNQCLSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000894810782 629653112 /nfs/dbraw/zinc/65/31/12/629653112.db2.gz HJKXBWKXFWYFTH-QGZVFWFLSA-N 2 1 296.455 2.382 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H]2C[C@@]2(C)Br)C1 ZINC000894861923 629699556 /nfs/dbraw/zinc/69/95/56/629699556.db2.gz YSWVUOAVLYRORI-JHJVBQTASA-N 2 1 289.261 2.481 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000894861912 629699717 /nfs/dbraw/zinc/69/97/17/629699717.db2.gz YLRQBZDOEQHHEP-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP Cc1noc2ncc(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)cc12 ZINC000894984073 629784264 /nfs/dbraw/zinc/78/42/64/629784264.db2.gz HHDBTGSVHJNVIE-CYBMUJFWSA-N 2 1 288.395 2.353 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)C2CCOCC2)s1 ZINC000796362215 629870341 /nfs/dbraw/zinc/87/03/41/629870341.db2.gz VSEOPNOQOWJBFE-UHFFFAOYSA-N 2 1 297.468 2.500 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC[N@@H+]1C ZINC000895204126 630031566 /nfs/dbraw/zinc/03/15/66/630031566.db2.gz FWICWHAVYPJECI-JSGCOSHPSA-N 2 1 285.391 2.100 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC[N@H+]1C ZINC000895204126 630031569 /nfs/dbraw/zinc/03/15/69/630031569.db2.gz FWICWHAVYPJECI-JSGCOSHPSA-N 2 1 285.391 2.100 20 0 CEADMP COc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)cc(OC)c1OC ZINC000895298928 630087206 /nfs/dbraw/zinc/08/72/06/630087206.db2.gz BFTQELQNGISERA-LBPRGKRZSA-N 2 1 296.411 2.142 20 0 CEADMP C[C@@H](CC[NH2+]Cc1cnc2ccc(Cl)cn12)[NH+](C)C ZINC000895297458 630090045 /nfs/dbraw/zinc/09/00/45/630090045.db2.gz MJDVDTIYSLWZCI-NSHDSACASA-N 2 1 280.803 2.418 20 0 CEADMP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000797061052 630122310 /nfs/dbraw/zinc/12/23/10/630122310.db2.gz NDRKNBCGMOPCKW-XJNFMUPTSA-N 2 1 276.424 2.489 20 0 CEADMP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000797061052 630122312 /nfs/dbraw/zinc/12/23/12/630122312.db2.gz NDRKNBCGMOPCKW-XJNFMUPTSA-N 2 1 276.424 2.489 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccn(C)c2)CCN1c1cc[nH+]cc1 ZINC000895556007 630247483 /nfs/dbraw/zinc/24/74/83/630247483.db2.gz DNTMLONULJHECP-CQSZACIVSA-N 2 1 270.380 2.131 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC=CO2)CCN1c1cc[nH+]cc1 ZINC000895556940 630248347 /nfs/dbraw/zinc/24/83/47/630248347.db2.gz NOMSMHFMERCHSH-ZBFHGGJFSA-N 2 1 273.380 2.285 20 0 CEADMP Nc1cc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c(Cl)c[nH+]1 ZINC000895565229 630257535 /nfs/dbraw/zinc/25/75/35/630257535.db2.gz PPNAWAIATHPABX-JQWIXIFHSA-N 2 1 298.843 2.309 20 0 CEADMP Nc1cc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c(Cl)c[nH+]1 ZINC000895565229 630257536 /nfs/dbraw/zinc/25/75/36/630257536.db2.gz PPNAWAIATHPABX-JQWIXIFHSA-N 2 1 298.843 2.309 20 0 CEADMP CC1([NH+]2CCC2)CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000895670419 630299849 /nfs/dbraw/zinc/29/98/49/630299849.db2.gz HHJOZFXDBOCERT-CQSZACIVSA-N 2 1 250.386 2.239 20 0 CEADMP COC[C@@H](C)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895683957 630305566 /nfs/dbraw/zinc/30/55/66/630305566.db2.gz YWTPRMPEFNMGBV-HNNXBMFYSA-N 2 1 256.434 2.467 20 0 CEADMP Cc1c[nH]c(C[N@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000895683841 630305771 /nfs/dbraw/zinc/30/57/71/630305771.db2.gz UQBLBSGTYLDKGC-UHFFFAOYSA-N 2 1 264.417 2.416 20 0 CEADMP Cc1c[nH]c(C[N@@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000895683841 630305773 /nfs/dbraw/zinc/30/57/73/630305773.db2.gz UQBLBSGTYLDKGC-UHFFFAOYSA-N 2 1 264.417 2.416 20 0 CEADMP c1cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)n(-c2ccncc2)n1 ZINC000895847271 630374810 /nfs/dbraw/zinc/37/48/10/630374810.db2.gz YSGXXXMFEKQUJE-YOEHRIQHSA-N 2 1 298.390 2.268 20 0 CEADMP c1cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)n(-c2cc[nH+]cc2)n1 ZINC000895847271 630374814 /nfs/dbraw/zinc/37/48/14/630374814.db2.gz YSGXXXMFEKQUJE-YOEHRIQHSA-N 2 1 298.390 2.268 20 0 CEADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C1 ZINC000902757548 634812337 /nfs/dbraw/zinc/81/23/37/634812337.db2.gz UVEKBCPFQCOAIV-ZNMIVQPWSA-N 2 1 254.418 2.264 20 0 CEADMP CCO[C@H](CNc1[nH+]ccc2c(N)cccc21)C[NH+](C)C ZINC000896110813 630472738 /nfs/dbraw/zinc/47/27/38/630472738.db2.gz CVRMHFFKPUHAHM-GFCCVEGCSA-N 2 1 288.395 2.196 20 0 CEADMP CCO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)C1 ZINC000902766787 634818181 /nfs/dbraw/zinc/81/81/81/634818181.db2.gz RPEGXPCQCZOVEO-HZPDHXFCSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)C[C@H]1CC[NH3+] ZINC000903977809 635395178 /nfs/dbraw/zinc/39/51/78/635395178.db2.gz ZVNUZFWJVINYKJ-CHWSQXEVSA-N 2 1 290.436 2.351 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CS[C@@H](C(C)C)C1)C[NH+](C)C ZINC000896880017 630699093 /nfs/dbraw/zinc/69/90/93/630699093.db2.gz LFBDJWJOWWKPFH-BFHYXJOUSA-N 2 1 274.474 2.073 20 0 CEADMP C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796325481 630775763 /nfs/dbraw/zinc/77/57/63/630775763.db2.gz VIILTVWCQBGXIR-RYUDHWBXSA-N 2 1 283.441 2.109 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000904318928 635566646 /nfs/dbraw/zinc/56/66/46/635566646.db2.gz ZRQJFCDBVMIQOU-UONOGXRCSA-N 2 1 256.434 2.234 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@@H](CCO)C1 ZINC000904318928 635566648 /nfs/dbraw/zinc/56/66/48/635566648.db2.gz ZRQJFCDBVMIQOU-UONOGXRCSA-N 2 1 256.434 2.234 20 0 CEADMP CC(C)[C@H](CO)[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321949 635567853 /nfs/dbraw/zinc/56/78/53/635567853.db2.gz LASBPNMOBVRTGS-BBWFWOEESA-N 2 1 276.424 2.243 20 0 CEADMP CC[C@]1(CO)CCC[N@H+]1C[C@@H]([NH3+])CCC(C)(C)C ZINC000904340117 635578765 /nfs/dbraw/zinc/57/87/65/635578765.db2.gz DAAYXIWLHKIIBS-DZGCQCFKSA-N 2 1 256.434 2.377 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCC(=O)OC(C)(C)C ZINC000925201608 631171941 /nfs/dbraw/zinc/17/19/41/631171941.db2.gz LJYWPSHGWGCCMY-NNQSOWQGSA-N 2 1 282.428 2.038 20 0 CEADMP CCc1cc(N(C)CC(C)(C)C[NH+](C)C)nc(C)[nH+]1 ZINC000897420000 631340386 /nfs/dbraw/zinc/34/03/86/631340386.db2.gz YZLNLDHXTHJEOU-UHFFFAOYSA-N 2 1 264.417 2.371 20 0 CEADMP C[C@@H](CNC(=O)CCCCCC[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000237400981 631663177 /nfs/dbraw/zinc/66/31/77/631663177.db2.gz XYFZSMXZMAVWQA-CABCVRRESA-N 2 1 283.460 2.132 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@H](C)C1 ZINC000841032829 631818376 /nfs/dbraw/zinc/81/83/76/631818376.db2.gz GEFFDOQXEDHUAL-RHSMWYFYSA-N 2 1 275.440 2.008 20 0 CEADMP CCN1CC[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@H](C)C1 ZINC000841032829 631818384 /nfs/dbraw/zinc/81/83/84/631818384.db2.gz GEFFDOQXEDHUAL-RHSMWYFYSA-N 2 1 275.440 2.008 20 0 CEADMP CC[N@@H+]1CC[C@@H](NCc2ccc(CC[NH3+])cc2)[C@H](C)C1 ZINC000841032829 631818390 /nfs/dbraw/zinc/81/83/90/631818390.db2.gz GEFFDOQXEDHUAL-RHSMWYFYSA-N 2 1 275.440 2.008 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2ccc(CC[NH3+])cc2)[C@H](C)C1 ZINC000841032829 631818394 /nfs/dbraw/zinc/81/83/94/631818394.db2.gz GEFFDOQXEDHUAL-RHSMWYFYSA-N 2 1 275.440 2.008 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)s1 ZINC000897957315 631990329 /nfs/dbraw/zinc/99/03/29/631990329.db2.gz BSBVNDWYMXQUBL-KGYLQXTDSA-N 2 1 265.426 2.483 20 0 CEADMP Cc1c[nH+]ccc1OC1CCN(CC[NH+]2CCCC2)CC1 ZINC000809995680 632166858 /nfs/dbraw/zinc/16/68/58/632166858.db2.gz UNWGPFRJUQWZFT-UHFFFAOYSA-N 2 1 289.423 2.329 20 0 CEADMP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C[C@H]1CCC(=O)N1)CC(C)C ZINC000924634121 632369242 /nfs/dbraw/zinc/36/92/42/632369242.db2.gz XWHSMQGLOFKFHR-XHSDSOJGSA-N 2 1 297.487 2.390 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1c2ccccc2C[C@@H]1C)C[NH+](C)C ZINC000926960743 632388209 /nfs/dbraw/zinc/38/82/09/632388209.db2.gz HGQMDEZEDRCAJN-LXZKKBNFSA-N 2 1 276.424 2.476 20 0 CEADMP CCO[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)C[NH+](C)C ZINC000926964945 632394521 /nfs/dbraw/zinc/39/45/21/632394521.db2.gz YLNSTRNXVRRFNX-GHMZBOCLSA-N 2 1 266.376 2.223 20 0 CEADMP CCO[C@@H](C[NH2+][C@H](C)c1ccc(OC)c(F)c1)CN(C)C ZINC000926966945 632397440 /nfs/dbraw/zinc/39/74/40/632397440.db2.gz YXSMEYHBHIDPKO-OCCSQVGLSA-N 2 1 298.402 2.452 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC3(CCOCC3)O2)[C@@H](C)C1 ZINC000927017710 632417562 /nfs/dbraw/zinc/41/75/62/632417562.db2.gz YXNJGGKSXMJGOX-XHSDSOJGSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000924697007 632429987 /nfs/dbraw/zinc/42/99/87/632429987.db2.gz XUVYIVFDLPIKEH-VNQPRFMTSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)OCC[C@@H]1CCCC[NH+]1C ZINC000923891767 632431727 /nfs/dbraw/zinc/43/17/27/632431727.db2.gz BMLWXUXQDGBQKC-GJZGRUSLSA-N 2 1 282.428 2.277 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000923891767 632431729 /nfs/dbraw/zinc/43/17/29/632431729.db2.gz BMLWXUXQDGBQKC-GJZGRUSLSA-N 2 1 282.428 2.277 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000923891767 632431734 /nfs/dbraw/zinc/43/17/34/632431734.db2.gz BMLWXUXQDGBQKC-GJZGRUSLSA-N 2 1 282.428 2.277 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C(C)(C)CO)cn1 ZINC000924725218 632467863 /nfs/dbraw/zinc/46/78/63/632467863.db2.gz URIBBJPLAANFAI-LBPRGKRZSA-N 2 1 288.395 2.072 20 0 CEADMP C[C@@H]1C[C@H](N[C@H](Cn2ccnc2)C(C)(C)C)c2ncnn21 ZINC000924731329 632479617 /nfs/dbraw/zinc/47/96/17/632479617.db2.gz UAZBHFHPQJSNFX-FRRDWIJNSA-N 2 1 288.399 2.185 20 0 CEADMP CC(C)CC[NH+]1CCC(N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000924740982 632603052 /nfs/dbraw/zinc/60/30/52/632603052.db2.gz FUGYDOYKYXIKKH-MRXNPFEDSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000924740982 632603054 /nfs/dbraw/zinc/60/30/54/632603054.db2.gz FUGYDOYKYXIKKH-MRXNPFEDSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2([C@@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC000927164919 632695806 /nfs/dbraw/zinc/69/58/06/632695806.db2.gz YLQUTBCJORDNCN-RDBSUJKOSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2([C@@H]3CCCCO3)CC2)CC[N@H+]1C ZINC000927164919 632695809 /nfs/dbraw/zinc/69/58/09/632695809.db2.gz YLQUTBCJORDNCN-RDBSUJKOSA-N 2 1 252.402 2.160 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCCCCCO)C2)C1 ZINC000815144462 632971313 /nfs/dbraw/zinc/97/13/13/632971313.db2.gz ZYPFOTOPKLJVHU-INIZCTEOSA-N 2 1 268.445 2.347 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCCCCCO)C2)C1 ZINC000815144462 632971317 /nfs/dbraw/zinc/97/13/17/632971317.db2.gz ZYPFOTOPKLJVHU-INIZCTEOSA-N 2 1 268.445 2.347 20 0 CEADMP CCn1cc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)nn1 ZINC000899888549 633078018 /nfs/dbraw/zinc/07/80/18/633078018.db2.gz MAZQSIQXLRHMJH-UHFFFAOYSA-N 2 1 293.459 2.098 20 0 CEADMP C[NH2+][C@@H](C)Cc1noc([C@@H]([NH3+])C2CCCCCC2)n1 ZINC000900008582 633171930 /nfs/dbraw/zinc/17/19/30/633171930.db2.gz MHMCNAOVVMYETE-GWCFXTLKSA-N 2 1 266.389 2.190 20 0 CEADMP C[C@H](O)c1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)s1 ZINC000817864634 633746885 /nfs/dbraw/zinc/74/68/85/633746885.db2.gz BGMDKNQDVUGWCC-RHYQMDGZSA-N 2 1 283.441 2.002 20 0 CEADMP C[C@H](O)c1ncc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)s1 ZINC000817864634 633746888 /nfs/dbraw/zinc/74/68/88/633746888.db2.gz BGMDKNQDVUGWCC-RHYQMDGZSA-N 2 1 283.441 2.002 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cn1 ZINC000817888325 633752331 /nfs/dbraw/zinc/75/23/31/633752331.db2.gz DWHHJDOZXUACQG-ZDUSSCGKSA-N 3 1 287.411 2.183 20 0 CEADMP Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000817889125 633753093 /nfs/dbraw/zinc/75/30/93/633753093.db2.gz MOJCXBSUXLZDBE-WBMJQRKESA-N 2 1 271.364 2.187 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(CN[C@H](C)[C@H]2CCCC[NH2+]2)cn1 ZINC000817889161 633753399 /nfs/dbraw/zinc/75/33/99/633753399.db2.gz NEYWWQFIPLJXSN-CZUORRHYSA-N 2 1 299.422 2.196 20 0 CEADMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817892807 633756152 /nfs/dbraw/zinc/75/61/52/633756152.db2.gz PVBRTIVJKXGZLI-BRWVUGGUSA-N 2 1 298.386 2.463 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccsc1 ZINC000817896322 633758234 /nfs/dbraw/zinc/75/82/34/633758234.db2.gz GCUDVXNBJGHXNB-MAZHCROVSA-N 2 1 290.432 2.330 20 0 CEADMP CC[C@H]([NH2+]CCc1ccc(Cl)nc1)[C@@H]1CCC[NH2+]1 ZINC000817901302 633762817 /nfs/dbraw/zinc/76/28/17/633762817.db2.gz BAMJTXZFRNBNNA-STQMWFEESA-N 2 1 267.804 2.398 20 0 CEADMP COc1cccc([C@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000817906220 633766598 /nfs/dbraw/zinc/76/65/98/633766598.db2.gz YPDOILVUSZXQIP-FGTMMUONSA-N 2 1 298.386 2.463 20 0 CEADMP C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1c[nH+]ccc1N ZINC000817912375 633769596 /nfs/dbraw/zinc/76/95/96/633769596.db2.gz GNTLTCBKJFUADR-YGRLFVJLSA-N 2 1 277.393 2.114 20 0 CEADMP C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000817913430 633772461 /nfs/dbraw/zinc/77/24/61/633772461.db2.gz PFPRBIJEVGBCNS-FVCCEPFGSA-N 2 1 268.426 2.290 20 0 CEADMP C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1c[nH+]ccc1N ZINC000817913341 633772579 /nfs/dbraw/zinc/77/25/79/633772579.db2.gz NXTYDDLNQUVINJ-BLLLJJGKSA-N 2 1 271.364 2.052 20 0 CEADMP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)[C@H](O)c1ccccc1 ZINC000817927832 633782355 /nfs/dbraw/zinc/78/23/55/633782355.db2.gz QVQCGLTZGQXYNH-BSWAZPDLSA-N 2 1 276.424 2.475 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cnc1Cl ZINC000817933572 633786382 /nfs/dbraw/zinc/78/63/82/633786382.db2.gz KMJGOAYOFCQRGQ-KWQFWETISA-N 2 1 257.740 2.091 20 0 CEADMP C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)[C@H]1CCC[NH2+]1 ZINC000817936366 633787506 /nfs/dbraw/zinc/78/75/06/633787506.db2.gz JWVPHRKXUHHQHB-AEJSXWLSSA-N 2 1 251.201 2.300 20 0 CEADMP COCc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)ccc1OC ZINC000817959766 633802035 /nfs/dbraw/zinc/80/20/35/633802035.db2.gz IUGHMJXHFAYWDP-ABAIWWIYSA-N 2 1 278.396 2.230 20 0 CEADMP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000817980021 633823866 /nfs/dbraw/zinc/82/38/66/633823866.db2.gz HPAZOCFCKBNPOH-CJNGLKHVSA-N 2 1 278.396 2.114 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)c1ccccc1F ZINC000818966892 634020398 /nfs/dbraw/zinc/02/03/98/634020398.db2.gz VKMOMKXXUMNQFF-WBMJQRKESA-N 2 1 291.370 2.290 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1cc(-c2cccc(F)c2)no1 ZINC000901399058 634091535 /nfs/dbraw/zinc/09/15/35/634091535.db2.gz DHKLPIULMGKNJR-UHFFFAOYSA-N 2 1 263.316 2.261 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cc(-c2cccc(F)c2)no1 ZINC000901399058 634091543 /nfs/dbraw/zinc/09/15/43/634091543.db2.gz DHKLPIULMGKNJR-UHFFFAOYSA-N 2 1 263.316 2.261 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000819219733 634108549 /nfs/dbraw/zinc/10/85/49/634108549.db2.gz GMYUTRHDMULGFP-SUMWQHHRSA-N 2 1 292.398 2.408 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000819365874 634157489 /nfs/dbraw/zinc/15/74/89/634157489.db2.gz DCWMYYGFUFSULL-DOMZBBRYSA-N 2 1 298.377 2.320 20 0 CEADMP CC[N@@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)C1CC1 ZINC000903085726 634962962 /nfs/dbraw/zinc/96/29/62/634962962.db2.gz GMJZPXLEYVZJPR-FUCXHRTASA-N 2 1 277.456 2.218 20 0 CEADMP CC[NH+](CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CC1 ZINC000903085726 634962963 /nfs/dbraw/zinc/96/29/63/634962963.db2.gz GMJZPXLEYVZJPR-FUCXHRTASA-N 2 1 277.456 2.218 20 0 CEADMP CC[NH+](CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CC1 ZINC000903085726 634962964 /nfs/dbraw/zinc/96/29/64/634962964.db2.gz GMJZPXLEYVZJPR-FUCXHRTASA-N 2 1 277.456 2.218 20 0 CEADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C[N@H+]1C1CC1 ZINC000903109381 634973713 /nfs/dbraw/zinc/97/37/13/634973713.db2.gz FJUWPKGJYKCGFW-OGQXQNTMSA-N 2 1 289.467 2.359 20 0 CEADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[NH+]1C1CC1 ZINC000903109381 634973716 /nfs/dbraw/zinc/97/37/16/634973716.db2.gz FJUWPKGJYKCGFW-OGQXQNTMSA-N 2 1 289.467 2.359 20 0 CEADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[NH+]1C1CC1 ZINC000903109381 634973722 /nfs/dbraw/zinc/97/37/22/634973722.db2.gz FJUWPKGJYKCGFW-OGQXQNTMSA-N 2 1 289.467 2.359 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CN1C1CC1 ZINC000903109381 634973725 /nfs/dbraw/zinc/97/37/25/634973725.db2.gz FJUWPKGJYKCGFW-OGQXQNTMSA-N 2 1 289.467 2.359 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CN1C1CC1 ZINC000903109381 634973729 /nfs/dbraw/zinc/97/37/29/634973729.db2.gz FJUWPKGJYKCGFW-OGQXQNTMSA-N 2 1 289.467 2.359 20 0 CEADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCCC1 ZINC000903174022 634998280 /nfs/dbraw/zinc/99/82/80/634998280.db2.gz BYZFDQGAUPRSPJ-YQAQFAQXSA-N 2 1 278.440 2.285 20 0 CEADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903196399 635006601 /nfs/dbraw/zinc/00/66/01/635006601.db2.gz NMBRBFJWXFHVAZ-NSPRJJJLSA-N 3 1 277.456 2.074 20 0 CEADMP OC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)CC1CC1 ZINC000903200539 635010343 /nfs/dbraw/zinc/01/03/43/635010343.db2.gz QTMZXDRAVJXYQA-ZBSSRIJBSA-N 2 1 278.440 2.142 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@@H](C)O1 ZINC000903210212 635017173 /nfs/dbraw/zinc/01/71/73/635017173.db2.gz VGFXBSZYDGFVCH-LPKFBNQVSA-N 2 1 264.413 2.300 20 0 CEADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CC[N@@H+]3C)CC2)C1 ZINC000903321869 635055470 /nfs/dbraw/zinc/05/54/70/635055470.db2.gz JEAUADKOIOLPTG-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CC[N@H+]3C)CC2)C1 ZINC000903321869 635055474 /nfs/dbraw/zinc/05/54/74/635055474.db2.gz JEAUADKOIOLPTG-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@H+]1CC[C@H](NCC[NH+]2CCC(C)(C)C2)[C@H]2CCC[C@@H]21 ZINC000903345669 635072924 /nfs/dbraw/zinc/07/29/24/635072924.db2.gz YOBYXUVCBALRSR-PMPSAXMXSA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@H](NCC[N@@H+]2CCC(C)(C)C2)[C@H]2CCC[C@@H]21 ZINC000903345669 635072930 /nfs/dbraw/zinc/07/29/30/635072930.db2.gz YOBYXUVCBALRSR-PMPSAXMXSA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@H](NCC[N@H+]2CCC(C)(C)C2)[C@H]2CCC[C@@H]21 ZINC000903345669 635072938 /nfs/dbraw/zinc/07/29/38/635072938.db2.gz YOBYXUVCBALRSR-PMPSAXMXSA-N 2 1 279.472 2.181 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCN2CCC(C)(C)C2)[C@H]2CCC[C@@H]21 ZINC000903345669 635072943 /nfs/dbraw/zinc/07/29/43/635072943.db2.gz YOBYXUVCBALRSR-PMPSAXMXSA-N 2 1 279.472 2.181 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCC(C)(C)C2)[C@H]2CCC[C@@H]21 ZINC000903345669 635072948 /nfs/dbraw/zinc/07/29/48/635072948.db2.gz YOBYXUVCBALRSR-PMPSAXMXSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903378496 635093825 /nfs/dbraw/zinc/09/38/25/635093825.db2.gz CWPOYSCGCHBKNU-VNQPRFMTSA-N 2 1 277.412 2.089 20 0 CEADMP C[C@H]1COC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000903400034 635108829 /nfs/dbraw/zinc/10/88/29/635108829.db2.gz KUKBFANASNQRLU-MAUKXSAKSA-N 2 1 288.435 2.318 20 0 CEADMP CCC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000903439498 635118504 /nfs/dbraw/zinc/11/85/04/635118504.db2.gz INEHQPAQJXXSAN-LYYZXLFJSA-N 2 1 280.456 2.367 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)c(F)c1 ZINC000903458502 635123990 /nfs/dbraw/zinc/12/39/90/635123990.db2.gz BLDDXEPCXCLLOE-IFUGULHKSA-N 2 1 284.350 2.097 20 0 CEADMP COCC[NH2+]C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000903461217 635125933 /nfs/dbraw/zinc/12/59/33/635125933.db2.gz PUICRDZZICDBOU-UHFFFAOYSA-N 2 1 287.407 2.368 20 0 CEADMP Cc1ccc(C[N@H+](CC2CC2)C[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000903460795 635126033 /nfs/dbraw/zinc/12/60/33/635126033.db2.gz IHGNAACCDJFCKT-DYVFJYSZSA-N 2 1 273.424 2.458 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCc2ccns2)C1 ZINC000903460600 635126333 /nfs/dbraw/zinc/12/63/33/635126333.db2.gz FKBXENNHBGWBRV-BPLDGKMQSA-N 2 1 295.452 2.046 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)C1 ZINC000903463709 635126899 /nfs/dbraw/zinc/12/68/99/635126899.db2.gz JRBOLEXKRSNEPL-CAOSSQGBSA-N 2 1 266.429 2.395 20 0 CEADMP [NH3+]C[C@H]([NH2+]CCc1ccns1)C1CCCCC1 ZINC000903454744 635138340 /nfs/dbraw/zinc/13/83/40/635138340.db2.gz IVIWAGACBPSILQ-ZDUSSCGKSA-N 2 1 253.415 2.183 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)C1 ZINC000903478997 635147750 /nfs/dbraw/zinc/14/77/50/635147750.db2.gz OYQHXYMACNTQSB-BJJXKVORSA-N 2 1 278.371 2.406 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H](C(F)(F)F)O1 ZINC000903479034 635148395 /nfs/dbraw/zinc/14/83/95/635148395.db2.gz QMYJAPMKALRMPC-WISYIIOYSA-N 2 1 280.334 2.156 20 0 CEADMP FC(F)(F)[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)O1 ZINC000903482141 635149511 /nfs/dbraw/zinc/14/95/11/635149511.db2.gz YJDLQGYLZUYODA-UTUOFQBUSA-N 2 1 292.345 2.361 20 0 CEADMP CO[C@H](C)c1nc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cs1 ZINC000903499252 635153903 /nfs/dbraw/zinc/15/39/03/635153903.db2.gz LGYIMFBIRKWZCY-IJLUTSLNSA-N 2 1 283.441 2.267 20 0 CEADMP C[C@@H]1C[N@@H+](CCN(C)c2ccccc2)C[C@H]1CC[NH3+] ZINC000903498762 635153932 /nfs/dbraw/zinc/15/39/32/635153932.db2.gz DCXSAPRLFURCRY-HUUCEWRRSA-N 2 1 261.413 2.040 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1CC[NH3+] ZINC000903497065 635157576 /nfs/dbraw/zinc/15/75/76/635157576.db2.gz OTXKEOWTYONCGH-GDBMZVCRSA-N 2 1 284.407 2.289 20 0 CEADMP c1csc(C[C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000903565014 635164647 /nfs/dbraw/zinc/16/46/47/635164647.db2.gz CCUVNNDYZBDVEN-UONOGXRCSA-N 2 1 279.453 2.397 20 0 CEADMP C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCC1 ZINC000903717281 635232267 /nfs/dbraw/zinc/23/22/67/635232267.db2.gz MHYWGTMKJVKFLL-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCCCC1 ZINC000903717123 635232306 /nfs/dbraw/zinc/23/23/06/635232306.db2.gz HDMCZVJCLJRNTH-LSDHHAIUSA-N 2 1 252.402 2.020 20 0 CEADMP CCc1ccc(C[N@@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903717466 635232471 /nfs/dbraw/zinc/23/24/71/635232471.db2.gz ATRDEZQBWWQQOB-QZTJIDSGSA-N 2 1 288.435 2.449 20 0 CEADMP C[N@H+](C[C@H]1COc2ccccc2O1)C[C@H]1CCCC[NH2+]C1 ZINC000903718182 635233166 /nfs/dbraw/zinc/23/31/66/635233166.db2.gz HWNNSOPQCWOYQG-GJZGRUSLSA-N 2 1 290.407 2.148 20 0 CEADMP C[N@@H+](C[C@H]1COc2ccccc2O1)C[C@H]1CCCC[NH2+]C1 ZINC000903718182 635233170 /nfs/dbraw/zinc/23/31/70/635233170.db2.gz HWNNSOPQCWOYQG-GJZGRUSLSA-N 2 1 290.407 2.148 20 0 CEADMP C[N@@H+](CCc1ccc(F)cc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723012 635235949 /nfs/dbraw/zinc/23/59/49/635235949.db2.gz RYRLPOGTHLXMDH-IRXDYDNUSA-N 2 1 292.398 2.069 20 0 CEADMP C[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903725020 635238821 /nfs/dbraw/zinc/23/88/21/635238821.db2.gz VBSVCTCEKHQCTO-FXUDXRNXSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903728393 635239880 /nfs/dbraw/zinc/23/98/80/635239880.db2.gz AJEDPFXJRXNPTP-ARFHVFGLSA-N 2 1 266.429 2.123 20 0 CEADMP CC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903730618 635241902 /nfs/dbraw/zinc/24/19/02/635241902.db2.gz YAQWHDYRPJKFHC-OFQRWUPVSA-N 2 1 266.429 2.266 20 0 CEADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC2(CCCC2)C1 ZINC000903729936 635242255 /nfs/dbraw/zinc/24/22/55/635242255.db2.gz SWGZSNMDVMXQRJ-GOEBONIOSA-N 2 1 264.413 2.021 20 0 CEADMP [NH3+]CCC[N@H+](CC1CCCC1)C[C@H]1CCCC[NH2+]C1 ZINC000903750384 635247742 /nfs/dbraw/zinc/24/77/42/635247742.db2.gz ZZCGKYMDIIRNBI-INIZCTEOSA-N 3 1 267.461 2.217 20 0 CEADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@H]1CCCC[NH2+]C1 ZINC000903750384 635247750 /nfs/dbraw/zinc/24/77/50/635247750.db2.gz ZZCGKYMDIIRNBI-INIZCTEOSA-N 3 1 267.461 2.217 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903753304 635249206 /nfs/dbraw/zinc/24/92/06/635249206.db2.gz SWCFABBKSILZSL-WCVJEAGWSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903735444 635251680 /nfs/dbraw/zinc/25/16/80/635251680.db2.gz ACKWUXUKZGPZFX-QGZVFWFLSA-N 3 1 281.488 2.428 20 0 CEADMP C[N@@H+](CCC(C)(C)C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903764279 635257415 /nfs/dbraw/zinc/25/74/15/635257415.db2.gz QVCSEOBMIPYWOZ-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000903766428 635258234 /nfs/dbraw/zinc/25/82/34/635258234.db2.gz QIWFNIIVHMTHBU-BRWVUGGUSA-N 2 1 278.440 2.267 20 0 CEADMP FC1(F)CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903770093 635259414 /nfs/dbraw/zinc/25/94/14/635259414.db2.gz SMFMMJNPWLFJRP-CYBMUJFWSA-N 2 1 288.382 2.266 20 0 CEADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903770286 635260948 /nfs/dbraw/zinc/26/09/48/635260948.db2.gz WKLPWCJPPJIING-KGLIPLIRSA-N 2 1 266.429 2.123 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903758173 635262319 /nfs/dbraw/zinc/26/23/19/635262319.db2.gz JCRDSDYWIYNJFV-NVXWUHKLSA-N 2 1 296.455 2.287 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903779809 635265927 /nfs/dbraw/zinc/26/59/27/635265927.db2.gz BIQPKFUQHJXHFM-HUUCEWRRSA-N 2 1 282.428 2.041 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903778372 635266132 /nfs/dbraw/zinc/26/61/32/635266132.db2.gz MCCRWEOCZFHBOU-GDBMZVCRSA-N 3 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903778372 635266134 /nfs/dbraw/zinc/26/61/34/635266134.db2.gz MCCRWEOCZFHBOU-GDBMZVCRSA-N 3 1 267.461 2.073 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CCOC1CCSCC1 ZINC000903782356 635267171 /nfs/dbraw/zinc/26/71/71/635267171.db2.gz LQGHHGWBEUNALJ-UHFFFAOYSA-N 2 1 274.474 2.350 20 0 CEADMP CO[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903783155 635268492 /nfs/dbraw/zinc/26/84/92/635268492.db2.gz VFSXWZSCJDHVRQ-NEPJUHHUSA-N 2 1 280.334 2.029 20 0 CEADMP CO[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903783155 635268496 /nfs/dbraw/zinc/26/84/96/635268496.db2.gz VFSXWZSCJDHVRQ-NEPJUHHUSA-N 2 1 280.334 2.029 20 0 CEADMP Cn1c2ccccc2nc1CC[N@@H+]1CCC[C@@H]2CC[C@]21CN ZINC000903798608 635276077 /nfs/dbraw/zinc/27/60/77/635276077.db2.gz OCONAAOOHCPGBR-KDOFPFPSSA-N 2 1 298.434 2.319 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@@H]2CC[C@]21CN ZINC000903798608 635276082 /nfs/dbraw/zinc/27/60/82/635276082.db2.gz OCONAAOOHCPGBR-KDOFPFPSSA-N 2 1 298.434 2.319 20 0 CEADMP Nc1cc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)ccn1 ZINC000903812142 635286500 /nfs/dbraw/zinc/28/65/00/635286500.db2.gz QUQNOYYWWUENII-AWEZNQCLSA-N 2 1 274.412 2.147 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccn(-c3ccccc3)n1)C2 ZINC000903845290 635302601 /nfs/dbraw/zinc/30/26/01/635302601.db2.gz GZWQIPCMOXGHFN-ZQIUZPCESA-N 2 1 282.391 2.184 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccn(-c3ccccc3)n1)C2 ZINC000903845290 635302608 /nfs/dbraw/zinc/30/26/08/635302608.db2.gz GZWQIPCMOXGHFN-ZQIUZPCESA-N 2 1 282.391 2.184 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCCCC1CCOCC1 ZINC000903861256 635313107 /nfs/dbraw/zinc/31/31/07/635313107.db2.gz WMMPUZGZJMOJSG-HOTGVXAUSA-N 2 1 266.429 2.397 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCCCC1CCOCC1 ZINC000903861256 635313113 /nfs/dbraw/zinc/31/31/13/635313113.db2.gz WMMPUZGZJMOJSG-HOTGVXAUSA-N 2 1 266.429 2.397 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@H]2C2CCC2)cnn1C ZINC000903888877 635316099 /nfs/dbraw/zinc/31/60/99/635316099.db2.gz MAHBXVBKYIIKPW-YOEHRIQHSA-N 2 1 290.455 2.110 20 0 CEADMP CCC[N@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1CCCCO1 ZINC000903890879 635317735 /nfs/dbraw/zinc/31/77/35/635317735.db2.gz HFKBYVAZAQVFBT-VXGBXAGGSA-N 2 1 264.360 2.250 20 0 CEADMP CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1CCCCO1 ZINC000903890879 635317742 /nfs/dbraw/zinc/31/77/42/635317742.db2.gz HFKBYVAZAQVFBT-VXGBXAGGSA-N 2 1 264.360 2.250 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)C2CCCCC2)cnn1C ZINC000903872532 635320852 /nfs/dbraw/zinc/32/08/52/635320852.db2.gz GJIKXDYYWZRFKW-CQSZACIVSA-N 2 1 278.444 2.110 20 0 CEADMP OCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CCCCC1 ZINC000903874318 635322159 /nfs/dbraw/zinc/32/21/59/635322159.db2.gz XVGLEMZYKYOQOY-UHFFFAOYSA-N 2 1 288.435 2.459 20 0 CEADMP c1cc([C@@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n[nH]1 ZINC000903886001 635327624 /nfs/dbraw/zinc/32/76/24/635327624.db2.gz PVYIEBVHCRXTCM-NUDNTCICSA-N 2 1 274.412 2.120 20 0 CEADMP c1cc([C@@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[nH]n1 ZINC000903886001 635327629 /nfs/dbraw/zinc/32/76/29/635327629.db2.gz PVYIEBVHCRXTCM-NUDNTCICSA-N 2 1 274.412 2.120 20 0 CEADMP c1cc([C@@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[nH]n1 ZINC000903886001 635327633 /nfs/dbraw/zinc/32/76/33/635327633.db2.gz PVYIEBVHCRXTCM-NUDNTCICSA-N 2 1 274.412 2.120 20 0 CEADMP CC[C@@]1(C)CCC[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903895028 635330919 /nfs/dbraw/zinc/33/09/19/635330919.db2.gz JTDDHEBRDDOSQB-WBVHZDCISA-N 2 1 292.471 2.358 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@H](C)CC(C)(C)C2)cnn1C ZINC000903908117 635343494 /nfs/dbraw/zinc/34/34/94/635343494.db2.gz CZQGCKQKABFZEH-UKRRQHHQSA-N 2 1 292.471 2.214 20 0 CEADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)[C@@H](C)O1 ZINC000903912721 635345673 /nfs/dbraw/zinc/34/56/73/635345673.db2.gz IFCJIKBDXYWVQU-UWOCAKRYSA-N 2 1 252.402 2.015 20 0 CEADMP CC(C)(CO)[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903926306 635354430 /nfs/dbraw/zinc/35/44/30/635354430.db2.gz KMXVZOCPTURBMN-JSGCOSHPSA-N 2 1 286.366 2.318 20 0 CEADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903930495 635356892 /nfs/dbraw/zinc/35/68/92/635356892.db2.gz YXNSRJKCUCJJPX-DGCLKSJQSA-N 2 1 271.355 2.365 20 0 CEADMP O[C@H]1C[C@@H](c2ccccc2)[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903930542 635357498 /nfs/dbraw/zinc/35/74/98/635357498.db2.gz ZRJHORIPYSBIBA-LLPGRJKPSA-N 2 1 286.419 2.325 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000903953172 635386790 /nfs/dbraw/zinc/38/67/90/635386790.db2.gz BOUCJORECVFYNJ-USNXZVQNSA-N 2 1 264.413 2.018 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C(C)(C)C ZINC000903970354 635390661 /nfs/dbraw/zinc/39/06/61/635390661.db2.gz VWZSRDSZXRRVHP-KBPBESRZSA-N 2 1 268.445 2.417 20 0 CEADMP CC1(C)CCC[C@H]1[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973141 635391921 /nfs/dbraw/zinc/39/19/21/635391921.db2.gz OYOPLBZRJDZVMH-ZIAGYGMSSA-N 2 1 266.429 2.313 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1F ZINC000904303784 635554827 /nfs/dbraw/zinc/55/48/27/635554827.db2.gz HFUTYUKLQGKJFT-TXEJJXNPSA-N 2 1 252.333 2.003 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@]1(C)CCC[NH2+]C1)CC2 ZINC000904337109 635562785 /nfs/dbraw/zinc/56/27/85/635562785.db2.gz NYESIHHIPBYQQK-GOSISDBHSA-N 2 1 288.435 2.486 20 0 CEADMP Cc1ccccc1[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)CO1 ZINC000904324426 635570863 /nfs/dbraw/zinc/57/08/63/635570863.db2.gz XQOGQKCHNSFXJH-PNBKFKSVSA-N 2 1 274.408 2.494 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904326607 635572530 /nfs/dbraw/zinc/57/25/30/635572530.db2.gz NTZTXWAJDVFNCJ-GOEBONIOSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904326607 635572531 /nfs/dbraw/zinc/57/25/31/635572531.db2.gz NTZTXWAJDVFNCJ-GOEBONIOSA-N 2 1 276.428 2.119 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904326762 635573086 /nfs/dbraw/zinc/57/30/86/635573086.db2.gz RXRWEDZPBCTUOZ-GJZGRUSLSA-N 2 1 269.477 2.414 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000904341981 635580146 /nfs/dbraw/zinc/58/01/46/635580146.db2.gz SVCOLPHBIXWAGB-BYCMXARLSA-N 2 1 280.799 2.451 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000904341981 635580152 /nfs/dbraw/zinc/58/01/52/635580152.db2.gz SVCOLPHBIXWAGB-BYCMXARLSA-N 2 1 280.799 2.451 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000904354440 635586695 /nfs/dbraw/zinc/58/66/95/635586695.db2.gz YHNNHAXUFDGMPB-INIZCTEOSA-N 3 1 277.456 2.431 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)CCC[NH2+]C1 ZINC000904374356 635595404 /nfs/dbraw/zinc/59/54/04/635595404.db2.gz QOZPHDGWZFATEI-PMPSAXMXSA-N 2 1 266.429 2.267 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000904364828 635596790 /nfs/dbraw/zinc/59/67/90/635596790.db2.gz RKJQZIQFVKFPGB-INIZCTEOSA-N 2 1 275.396 2.124 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCn3nc(C(C)(C)C)cc3C2)CC[NH2+]1 ZINC000904389405 635599410 /nfs/dbraw/zinc/59/94/10/635599410.db2.gz LOZRQSZHZKZLNT-KBPBESRZSA-N 2 1 290.455 2.384 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)[C@H]1CC[NH3+] ZINC000904375708 635602032 /nfs/dbraw/zinc/60/20/32/635602032.db2.gz GOGDAXHOLYMPEK-BBRMVZONSA-N 3 1 261.413 2.095 20 0 CEADMP CCn1c2ccccc2nc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904410729 635616350 /nfs/dbraw/zinc/61/63/50/635616350.db2.gz GGWFNEBVCCLIMS-KBPBESRZSA-N 2 1 286.423 2.473 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)ccc1C ZINC000904410256 635616433 /nfs/dbraw/zinc/61/64/33/635616433.db2.gz NIQALCFOEGLSNX-HIFRSBDPSA-N 2 1 262.397 2.420 20 0 CEADMP CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904410977 635619461 /nfs/dbraw/zinc/61/94/61/635619461.db2.gz IKWXURIHULGKPN-GHMZBOCLSA-N 2 1 284.835 2.053 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC[C@H]1C[NH3+] ZINC000904412891 635620253 /nfs/dbraw/zinc/62/02/53/635620253.db2.gz YNSPBQDEMOJYTF-WFASDCNBSA-N 2 1 260.381 2.038 20 0 CEADMP CC(C)Cc1ncc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000904420188 635631087 /nfs/dbraw/zinc/63/10/87/635631087.db2.gz FXGCMAFNFZGQMU-QWHCGFSZSA-N 2 1 279.453 2.383 20 0 CEADMP CC(C)Cc1ncc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000904420188 635631091 /nfs/dbraw/zinc/63/10/91/635631091.db2.gz FXGCMAFNFZGQMU-QWHCGFSZSA-N 2 1 279.453 2.383 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)O[C@H](C)C2 ZINC000904417670 635631804 /nfs/dbraw/zinc/63/18/04/635631804.db2.gz MNLWVEVPXHTILC-LALPHHSUSA-N 2 1 290.407 2.045 20 0 CEADMP O[C@]1(C[NH2+]C[C@@H]2C=CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905409731 636261164 /nfs/dbraw/zinc/26/11/64/636261164.db2.gz KPCOCSNBLSYJAT-AEFFLSMTSA-N 2 1 286.419 2.179 20 0 CEADMP O[C@]1(C[NH2+]C[C@@H]2C=CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905409731 636261167 /nfs/dbraw/zinc/26/11/67/636261167.db2.gz KPCOCSNBLSYJAT-AEFFLSMTSA-N 2 1 286.419 2.179 20 0 CEADMP C=C/C=C\CC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000905423692 636274443 /nfs/dbraw/zinc/27/44/43/636274443.db2.gz QRRMRVJLKCZGJZ-CHYADLBTSA-N 2 1 274.408 2.201 20 0 CEADMP C=C/C=C\CC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000905423692 636274452 /nfs/dbraw/zinc/27/44/52/636274452.db2.gz QRRMRVJLKCZGJZ-CHYADLBTSA-N 2 1 274.408 2.201 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@]12C[C@H]1CCC2 ZINC000905621200 636348150 /nfs/dbraw/zinc/34/81/50/636348150.db2.gz LFTBYHRTHJAYGH-SQNIBIBYSA-N 2 1 288.435 2.259 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@]12C[C@H]1CCC2 ZINC000905621200 636348157 /nfs/dbraw/zinc/34/81/57/636348157.db2.gz LFTBYHRTHJAYGH-SQNIBIBYSA-N 2 1 288.435 2.259 20 0 CEADMP C[N@@H+](CCC[NH2+]C[C@](C)(O)C(F)F)C1CCCCC1 ZINC000905902340 636516912 /nfs/dbraw/zinc/51/69/12/636516912.db2.gz BJGBEAYKCPNSIV-AWEZNQCLSA-N 2 1 278.387 2.247 20 0 CEADMP CC[C@](O)(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C(F)(F)F ZINC000905939693 636534937 /nfs/dbraw/zinc/53/49/37/636534937.db2.gz GVXNRJHEYJBZEE-UPJWGTAASA-N 2 1 294.361 2.106 20 0 CEADMP CC[C@](O)(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C(F)(F)F ZINC000905939693 636534939 /nfs/dbraw/zinc/53/49/39/636534939.db2.gz GVXNRJHEYJBZEE-UPJWGTAASA-N 2 1 294.361 2.106 20 0 CEADMP CC[C@](O)(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C(F)(F)F ZINC000905939693 636534941 /nfs/dbraw/zinc/53/49/41/636534941.db2.gz GVXNRJHEYJBZEE-UPJWGTAASA-N 2 1 294.361 2.106 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000906582077 636796940 /nfs/dbraw/zinc/79/69/40/636796940.db2.gz MUCFMEMOCGUDAM-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000906582077 636796943 /nfs/dbraw/zinc/79/69/43/636796943.db2.gz MUCFMEMOCGUDAM-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000906582077 636796946 /nfs/dbraw/zinc/79/69/46/636796946.db2.gz MUCFMEMOCGUDAM-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000907657196 637082770 /nfs/dbraw/zinc/08/27/70/637082770.db2.gz DTAFJQKNNZAYBB-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000908964438 637549765 /nfs/dbraw/zinc/54/97/65/637549765.db2.gz KYIZNJUEMPUHKL-ZIAGYGMSSA-N 2 1 280.437 2.342 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000908964438 637549770 /nfs/dbraw/zinc/54/97/70/637549770.db2.gz KYIZNJUEMPUHKL-ZIAGYGMSSA-N 2 1 280.437 2.342 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000832750629 637659341 /nfs/dbraw/zinc/65/93/41/637659341.db2.gz VYWSDUKUDJDWNH-HUUCEWRRSA-N 2 1 283.460 2.084 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000156759953 639388913 /nfs/dbraw/zinc/38/89/13/639388913.db2.gz QRLRRDYAEGCSIU-ZIAGYGMSSA-N 2 1 278.396 2.132 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000156759953 639388917 /nfs/dbraw/zinc/38/89/17/639388917.db2.gz QRLRRDYAEGCSIU-ZIAGYGMSSA-N 2 1 278.396 2.132 20 0 CEADMP ClC1(Cl)C[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000876939599 650496298 /nfs/dbraw/zinc/49/62/98/650496298.db2.gz ISTOQXIHKSMOKU-VWYCJHECSA-N 2 1 263.212 2.397 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877041799 639468110 /nfs/dbraw/zinc/46/81/10/639468110.db2.gz OJWJORAJLGPNFY-NWDGAFQWSA-N 2 1 295.254 2.007 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)C2CC2)cc1F ZINC000840746180 639992969 /nfs/dbraw/zinc/99/29/69/639992969.db2.gz AMHILAPUMZPMFV-MRXNPFEDSA-N 2 1 289.354 2.180 20 0 CEADMP [NH3+]CCCCCCC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000842471472 640071672 /nfs/dbraw/zinc/07/16/72/640071672.db2.gz CUSIYLDTFLBKTK-AWEZNQCLSA-N 2 1 254.418 2.397 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842475065 640073595 /nfs/dbraw/zinc/07/35/95/640073595.db2.gz KHKWAVHYTLXYNY-QGZVFWFLSA-N 2 1 274.408 2.449 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842475065 640073603 /nfs/dbraw/zinc/07/36/03/640073603.db2.gz KHKWAVHYTLXYNY-QGZVFWFLSA-N 2 1 274.408 2.449 20 0 CEADMP CCCCCC[C@@H](C)NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000842476215 640075927 /nfs/dbraw/zinc/07/59/27/640075927.db2.gz JHKUFBNGPWCSAS-HUUCEWRRSA-N 2 1 297.487 2.439 20 0 CEADMP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCCCCCC[NH3+] ZINC000842476938 640076853 /nfs/dbraw/zinc/07/68/53/640076853.db2.gz XQSUEVNDBPORDG-ZNMIVQPWSA-N 2 1 282.428 2.169 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](C)C(C)(C)CC2)C1 ZINC000913721672 640083077 /nfs/dbraw/zinc/08/30/77/640083077.db2.gz BQBNFFJURPBWDI-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@H+](C)C(C)(C)CC2)C1 ZINC000913721672 640083081 /nfs/dbraw/zinc/08/30/81/640083081.db2.gz BQBNFFJURPBWDI-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@@H+](C)C(C)(C)CC2)C1 ZINC000913721672 640083088 /nfs/dbraw/zinc/08/30/88/640083088.db2.gz BQBNFFJURPBWDI-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2N)C1 ZINC000877074088 650560077 /nfs/dbraw/zinc/56/00/77/650560077.db2.gz ZDDVMPFPTVNARB-QWHCGFSZSA-N 2 1 265.376 2.370 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843044536 640249660 /nfs/dbraw/zinc/24/96/60/640249660.db2.gz HFFUHJLJDVPCND-AWEZNQCLSA-N 2 1 260.381 2.148 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843044536 640249666 /nfs/dbraw/zinc/24/96/66/640249666.db2.gz HFFUHJLJDVPCND-AWEZNQCLSA-N 2 1 260.381 2.148 20 0 CEADMP Cn1c(Cl)nc(Cl)c1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843055404 640257740 /nfs/dbraw/zinc/25/77/40/640257740.db2.gz AWFGEXIZSAJNOR-UHFFFAOYSA-N 2 1 291.226 2.429 20 0 CEADMP Cn1c(Cl)nc(Cl)c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055404 640257743 /nfs/dbraw/zinc/25/77/43/640257743.db2.gz AWFGEXIZSAJNOR-UHFFFAOYSA-N 2 1 291.226 2.429 20 0 CEADMP CN(C)c1ccccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055936 640258985 /nfs/dbraw/zinc/25/89/85/640258985.db2.gz SHDDIMGAMJNQNM-UHFFFAOYSA-N 2 1 261.413 2.454 20 0 CEADMP CC(C)([NH3+])C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000843060414 640264199 /nfs/dbraw/zinc/26/41/99/640264199.db2.gz IABVLLSQZVTXGK-HNNXBMFYSA-N 2 1 262.397 2.169 20 0 CEADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000843066796 640265387 /nfs/dbraw/zinc/26/53/87/640265387.db2.gz URGQCHJTONONDZ-HUUCEWRRSA-N 2 1 280.387 2.451 20 0 CEADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000843066796 640265390 /nfs/dbraw/zinc/26/53/90/640265390.db2.gz URGQCHJTONONDZ-HUUCEWRRSA-N 2 1 280.387 2.451 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000843348244 640398374 /nfs/dbraw/zinc/39/83/74/640398374.db2.gz IEGDNKDOWQFFBM-LBPRGKRZSA-N 2 1 298.386 2.062 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000843348244 640398380 /nfs/dbraw/zinc/39/83/80/640398380.db2.gz IEGDNKDOWQFFBM-LBPRGKRZSA-N 2 1 298.386 2.062 20 0 CEADMP Cc1noc(C)c1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000843357322 640401375 /nfs/dbraw/zinc/40/13/75/640401375.db2.gz IKKQXRDTVDFHHA-UHFFFAOYSA-N 2 1 251.374 2.113 20 0 CEADMP CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@H](C)[NH3+] ZINC000843358910 640402167 /nfs/dbraw/zinc/40/21/67/640402167.db2.gz CSWAUWWHGPNMFW-WFASDCNBSA-N 2 1 268.376 2.164 20 0 CEADMP CC(C)C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@H](C)[NH3+] ZINC000843358910 640402169 /nfs/dbraw/zinc/40/21/69/640402169.db2.gz CSWAUWWHGPNMFW-WFASDCNBSA-N 2 1 268.376 2.164 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CCCCCCC1 ZINC000843384874 640412331 /nfs/dbraw/zinc/41/23/31/640412331.db2.gz DXWDXBSAVRMQLB-INIZCTEOSA-N 2 1 295.471 2.419 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NC1CCCCCCC1 ZINC000843384874 640412335 /nfs/dbraw/zinc/41/23/35/640412335.db2.gz DXWDXBSAVRMQLB-INIZCTEOSA-N 2 1 295.471 2.419 20 0 CEADMP CCCCOC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843385878 640412672 /nfs/dbraw/zinc/41/26/72/640412672.db2.gz ZIHSQOUNJAVLRR-UKRRQHHQSA-N 2 1 282.428 2.040 20 0 CEADMP CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843388587 640413183 /nfs/dbraw/zinc/41/31/83/640413183.db2.gz SSKGNDGGHBURES-SOUVJXGZSA-N 2 1 282.428 2.040 20 0 CEADMP CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843386093 640413617 /nfs/dbraw/zinc/41/36/17/640413617.db2.gz BXUNYCQDJYMSGQ-HRCADAONSA-N 2 1 296.455 2.430 20 0 CEADMP C[C@@H](C[C@@H]1CCOC1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834908012 640438108 /nfs/dbraw/zinc/43/81/08/640438108.db2.gz ACHWALSHGRPMDU-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@@H+](Cc1ccccc1C)C[C@@H](O)CN1CCCC1 ZINC000915057971 640506119 /nfs/dbraw/zinc/50/61/19/640506119.db2.gz OHWDHFGAWJXPDJ-QGZVFWFLSA-N 2 1 276.424 2.274 20 0 CEADMP CC[N@@H+](Cc1ccccc1C)C[C@@H](O)C[NH+]1CCCC1 ZINC000915057971 640506136 /nfs/dbraw/zinc/50/61/36/640506136.db2.gz OHWDHFGAWJXPDJ-QGZVFWFLSA-N 2 1 276.424 2.274 20 0 CEADMP CC[N@H+](Cc1ccccc1C)C[C@@H](O)C[NH+]1CCCC1 ZINC000915057971 640506139 /nfs/dbraw/zinc/50/61/39/640506139.db2.gz OHWDHFGAWJXPDJ-QGZVFWFLSA-N 2 1 276.424 2.274 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2)[C@@H]2CCCC[C@@H]12 ZINC000915225900 640531383 /nfs/dbraw/zinc/53/13/83/640531383.db2.gz FMRMQGSMGKAVRS-WCXIOVBPSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]2CCCC[C@@H]12 ZINC000915225900 640531387 /nfs/dbraw/zinc/53/13/87/640531387.db2.gz FMRMQGSMGKAVRS-WCXIOVBPSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]2CCCC[C@@H]12 ZINC000915225900 640531392 /nfs/dbraw/zinc/53/13/92/640531392.db2.gz FMRMQGSMGKAVRS-WCXIOVBPSA-N 2 1 280.456 2.344 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH3+])c2)C[C@@H]1C ZINC000844186475 640626277 /nfs/dbraw/zinc/62/62/77/640626277.db2.gz WYDYNKYGADEJKJ-XJKSGUPXSA-N 2 1 289.423 2.090 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000844197567 640628875 /nfs/dbraw/zinc/62/88/75/640628875.db2.gz VDTKITJRTWAZGP-IJEWVQPXSA-N 2 1 283.460 2.001 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000844221503 640636507 /nfs/dbraw/zinc/63/65/07/640636507.db2.gz OZERCAAMJKHXAZ-MRXNPFEDSA-N 2 1 275.440 2.423 20 0 CEADMP C[NH2+]CCC[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000844221503 640636513 /nfs/dbraw/zinc/63/65/13/640636513.db2.gz OZERCAAMJKHXAZ-MRXNPFEDSA-N 2 1 275.440 2.423 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H]1C ZINC000993810644 640679544 /nfs/dbraw/zinc/67/95/44/640679544.db2.gz XMYBGWDJIBJNCD-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993810644 640679545 /nfs/dbraw/zinc/67/95/45/640679545.db2.gz XMYBGWDJIBJNCD-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](O)c1ncc(C[NH2+]Cc2ccc(C[NH3+])cc2F)s1 ZINC000844908929 640863351 /nfs/dbraw/zinc/86/33/51/640863351.db2.gz YTHHUGKCKKOMEX-SECBINFHSA-N 2 1 295.383 2.084 20 0 CEADMP CCC[C@H](C)[C@H](CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000846015228 641153622 /nfs/dbraw/zinc/15/36/22/641153622.db2.gz UVARGHDWIVHVPY-AAEUAGOBSA-N 2 1 285.457 2.091 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCCCC[NH3+])CCN1CC(F)F ZINC000846220077 641229046 /nfs/dbraw/zinc/22/90/46/641229046.db2.gz ASYHCXRVVQACIQ-CYBMUJFWSA-N 2 1 277.403 2.167 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000846222198 641230703 /nfs/dbraw/zinc/23/07/03/641230703.db2.gz SWEHVKPWAVSJDM-CYBMUJFWSA-N 2 1 250.390 2.108 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOc1cccc(F)c1)C2 ZINC000846224491 641232295 /nfs/dbraw/zinc/23/22/95/641232295.db2.gz ORXGMRBINWVJCK-BBRMVZONSA-N 2 1 278.371 2.265 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000251174599 641559410 /nfs/dbraw/zinc/55/94/10/641559410.db2.gz FVGGDTXTVZKNMH-BZUAXINKSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000251174599 641559414 /nfs/dbraw/zinc/55/94/14/641559414.db2.gz FVGGDTXTVZKNMH-BZUAXINKSA-N 3 1 279.472 2.371 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000251174599 641559422 /nfs/dbraw/zinc/55/94/22/641559422.db2.gz FVGGDTXTVZKNMH-BZUAXINKSA-N 3 1 279.472 2.371 20 0 CEADMP CCc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070170858 641639902 /nfs/dbraw/zinc/63/99/02/641639902.db2.gz MXBGHHKVJMPQPE-OAHLLOKOSA-N 2 1 289.423 2.248 20 0 CEADMP C[N@@H+](CCNC(=[NH2+])NC1CCCCC1)C1CCCC1 ZINC000071379497 641754954 /nfs/dbraw/zinc/75/49/54/641754954.db2.gz TVTNCQRJTRGAFY-UHFFFAOYSA-N 2 1 266.433 2.307 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]C(C)C)C(C)(C)C1 ZINC000996675621 642126180 /nfs/dbraw/zinc/12/61/80/642126180.db2.gz GGDJKHRGDLGYSX-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H](C)NC(=[NH2+])NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000848989216 642211005 /nfs/dbraw/zinc/21/10/05/642211005.db2.gz GQIRAXAABCGEPJ-UONOGXRCSA-N 2 1 268.449 2.411 20 0 CEADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000848997630 642217061 /nfs/dbraw/zinc/21/70/61/642217061.db2.gz VQEOZUGHAJANEJ-CYBMUJFWSA-N 2 1 294.468 2.136 20 0 CEADMP CC[N@@H+](CCNC(=[NH2+])NCc1ccc(C)cc1)C1CC1 ZINC000849000942 642219537 /nfs/dbraw/zinc/21/95/37/642219537.db2.gz HVLOVLKROLJOLR-UHFFFAOYSA-N 2 1 274.412 2.093 20 0 CEADMP CCCCCCNC(=[NH2+])NC[C@@]1([NH+](C)C)CCSC1 ZINC000849003707 642220846 /nfs/dbraw/zinc/22/08/46/642220846.db2.gz ATABWGALUBRTKN-AWEZNQCLSA-N 2 1 286.489 2.118 20 0 CEADMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCC2)[C@@H]1c1cccs1 ZINC000849009998 642227080 /nfs/dbraw/zinc/22/70/80/642227080.db2.gz SCMQKEIFTUBCAA-TZMCWYRMSA-N 2 1 292.452 2.361 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CC(C)(C)C1 ZINC000849020672 642235136 /nfs/dbraw/zinc/23/51/36/642235136.db2.gz VTSYXVYUDNLVHW-ZDUSSCGKSA-N 2 1 266.433 2.021 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=[NH2+])NC1CCCC1 ZINC000849023919 642237424 /nfs/dbraw/zinc/23/74/24/642237424.db2.gz LZLHRNKEPXCUOZ-CYBMUJFWSA-N 2 1 266.433 2.163 20 0 CEADMP CCc1ccc([C@H](CNC(=[NH2+])NC)[NH+](CC)CC)cc1 ZINC000849031042 642243576 /nfs/dbraw/zinc/24/35/76/642243576.db2.gz SOBUREYXLLXOPR-HNNXBMFYSA-N 2 1 276.428 2.376 20 0 CEADMP CCc1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000849050295 642258285 /nfs/dbraw/zinc/25/82/85/642258285.db2.gz YYJPZUTUSQVNNE-MRXNPFEDSA-N 2 1 288.439 2.347 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921620413 642276804 /nfs/dbraw/zinc/27/68/04/642276804.db2.gz UEYVXHAURSONHN-AWEZNQCLSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921620413 642276807 /nfs/dbraw/zinc/27/68/07/642276807.db2.gz UEYVXHAURSONHN-AWEZNQCLSA-N 2 1 276.428 2.428 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(C)C)C1 ZINC000999323931 642480938 /nfs/dbraw/zinc/48/09/38/642480938.db2.gz ZKWKRJCFVYOBCG-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCc1[nH]nc(Cl)c1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000921717761 642560144 /nfs/dbraw/zinc/56/01/44/642560144.db2.gz MWZCMWMSJAAKQG-SNVBAGLBSA-N 2 1 270.808 2.057 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cc2c(cc[nH]c2=O)o1 ZINC000877532608 650772200 /nfs/dbraw/zinc/77/22/00/650772200.db2.gz VRYJVGJYKFXLNN-BXUZGUMPSA-N 2 1 289.379 2.305 20 0 CEADMP C([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCOC1 ZINC000850382416 642692296 /nfs/dbraw/zinc/69/22/96/642692296.db2.gz RIGUDOXJXVBFPD-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP C([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCOC1 ZINC000850382416 642692298 /nfs/dbraw/zinc/69/22/98/642692298.db2.gz RIGUDOXJXVBFPD-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@]23OCCC[C@H]2C3(F)F)CC1 ZINC000850535018 642745153 /nfs/dbraw/zinc/74/51/53/642745153.db2.gz UEKDKVQOERXNCS-KGLIPLIRSA-N 2 1 288.382 2.265 20 0 CEADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000922063170 642861436 /nfs/dbraw/zinc/86/14/36/642861436.db2.gz FLERROCZSPFOKT-QLFBSQMISA-N 2 1 277.412 2.383 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCO[C@@H]2CCCCO2)CC1(C)C ZINC000922230722 642970614 /nfs/dbraw/zinc/97/06/14/642970614.db2.gz IPVULUGQNRSSKT-HUUCEWRRSA-N 2 1 284.444 2.382 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000922285282 642999500 /nfs/dbraw/zinc/99/95/00/642999500.db2.gz YMMMAZAFOADIDS-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000922285282 642999504 /nfs/dbraw/zinc/99/95/04/642999504.db2.gz YMMMAZAFOADIDS-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP CC[C@H](C)C[NH2+][C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922393480 643059762 /nfs/dbraw/zinc/05/97/62/643059762.db2.gz KVGHUWNALZBUTC-MZBWOGCUSA-N 2 1 282.472 2.492 20 0 CEADMP CC1(C)OC[C@@H](CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)O1 ZINC000851783417 643160631 /nfs/dbraw/zinc/16/06/31/643160631.db2.gz BKDKCDNTDJQMQQ-HZPDHXFCSA-N 2 1 296.455 2.336 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851799573 643169461 /nfs/dbraw/zinc/16/94/61/643169461.db2.gz ZYGQFUUQEUWMPE-GJZGRUSLSA-N 2 1 284.444 2.192 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851799573 643169465 /nfs/dbraw/zinc/16/94/65/643169465.db2.gz ZYGQFUUQEUWMPE-GJZGRUSLSA-N 2 1 284.444 2.192 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851799573 643169469 /nfs/dbraw/zinc/16/94/69/643169469.db2.gz ZYGQFUUQEUWMPE-GJZGRUSLSA-N 2 1 284.444 2.192 20 0 CEADMP C[NH+]1CCC([NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000922680874 643195862 /nfs/dbraw/zinc/19/58/62/643195862.db2.gz ZELFLXMEWCGKCS-NWDGAFQWSA-N 2 1 280.334 2.170 20 0 CEADMP CCO[C@H](C[NH2+]C1CCC(F)(F)CC1)C[NH+](C)C ZINC000922753488 643243693 /nfs/dbraw/zinc/24/36/93/643243693.db2.gz GYWFQNGHSGVOAQ-GFCCVEGCSA-N 2 1 264.360 2.121 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C[NH+](C)C ZINC000922756182 643247062 /nfs/dbraw/zinc/24/70/62/643247062.db2.gz MIBKAOJFCSDTRL-XGUBFFRZSA-N 2 1 254.418 2.121 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)C[NH+](C)C ZINC000922758139 643247781 /nfs/dbraw/zinc/24/77/81/643247781.db2.gz RMMYOWVROOMZGP-LXTVHRRPSA-N 2 1 256.434 2.367 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000922806270 643275017 /nfs/dbraw/zinc/27/50/17/643275017.db2.gz VBDMLBJCVPNDQL-CQSZACIVSA-N 2 1 252.402 2.162 20 0 CEADMP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001005186191 643393784 /nfs/dbraw/zinc/39/37/84/643393784.db2.gz YAIRXAABOROPPV-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852563821 643474235 /nfs/dbraw/zinc/47/42/35/643474235.db2.gz CJTAZWOBIKSSIY-PBHICJAKSA-N 2 1 284.407 2.359 20 0 CEADMP CC(C)C[C@H](C)C[NH+]1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877671145 650843331 /nfs/dbraw/zinc/84/33/31/650843331.db2.gz RDWJPHANRHSYNX-GVDBMIGSSA-N 3 1 283.504 2.340 20 0 CEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC[C@@H]1COC(C)(C)O1 ZINC000852717023 643522365 /nfs/dbraw/zinc/52/23/65/643522365.db2.gz XPXFJRLMSDTWJP-CYBMUJFWSA-N 2 1 272.433 2.238 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC[C@@H]1COC(C)(C)O1 ZINC000852717023 643522368 /nfs/dbraw/zinc/52/23/68/643522368.db2.gz XPXFJRLMSDTWJP-CYBMUJFWSA-N 2 1 272.433 2.238 20 0 CEADMP c1ccc(COCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000852747033 643531840 /nfs/dbraw/zinc/53/18/40/643531840.db2.gz VTYFOHNLDPBRNV-UHFFFAOYSA-N 2 1 274.408 2.279 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)C1CCCC1 ZINC000852748573 643533524 /nfs/dbraw/zinc/53/35/24/643533524.db2.gz XHGGBMFTRBUCSB-HZPDHXFCSA-N 2 1 266.429 2.267 20 0 CEADMP CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000852759184 643540554 /nfs/dbraw/zinc/54/05/54/643540554.db2.gz KUBAEAQKDGADQU-TZMCWYRMSA-N 2 1 292.427 2.084 20 0 CEADMP CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000852760431 643541020 /nfs/dbraw/zinc/54/10/20/643541020.db2.gz ZIUJIXOHMQHSJH-MGPQQGTHSA-N 2 1 270.417 2.168 20 0 CEADMP c1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)cs1 ZINC000923303350 643650466 /nfs/dbraw/zinc/65/04/66/643650466.db2.gz CJBNEXPPJBIFNV-KBPBESRZSA-N 2 1 278.421 2.264 20 0 CEADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303515 643650961 /nfs/dbraw/zinc/65/09/61/643650961.db2.gz FGILADZALGHIED-CABCVRRESA-N 2 1 274.408 2.366 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000923335244 643666956 /nfs/dbraw/zinc/66/69/56/643666956.db2.gz OGKNTFTUONZQHG-DOMZBBRYSA-N 2 1 284.350 2.072 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3F)C[C@H]21 ZINC000923334571 643667202 /nfs/dbraw/zinc/66/72/02/643667202.db2.gz WOHYMWIUPNVMEB-NMFKLSHFSA-N 2 1 296.361 2.057 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000923358669 643677339 /nfs/dbraw/zinc/67/73/39/643677339.db2.gz KBKWCVCXCGADJH-KGLIPLIRSA-N 2 1 277.412 2.449 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923363147 643683690 /nfs/dbraw/zinc/68/36/90/643683690.db2.gz VMHGSPNEEGAZST-OAGGEKHMSA-N 2 1 268.445 2.105 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)C1CCCCC1 ZINC000923373875 643683719 /nfs/dbraw/zinc/68/37/19/643683719.db2.gz PSTPMGLAEWHBJZ-CABCVRRESA-N 2 1 290.407 2.324 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)C1CCCCC1 ZINC000923375227 643685462 /nfs/dbraw/zinc/68/54/62/643685462.db2.gz ZSYIEUPRZYUXAM-IRXDYDNUSA-N 2 1 276.424 2.087 20 0 CEADMP C(C1CCCC1)[C@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923390260 643690646 /nfs/dbraw/zinc/69/06/46/643690646.db2.gz VBUAMFUEFTZOHG-HZPDHXFCSA-N 2 1 278.440 2.410 20 0 CEADMP Cc1c2cccc(C)c2oc1C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923385782 643691260 /nfs/dbraw/zinc/69/12/60/643691260.db2.gz CTNRKTNHUPFNMT-QEJZJMRPSA-N 2 1 288.391 2.332 20 0 CEADMP CC[N@H+](Cc1ccc(C)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923388139 643693468 /nfs/dbraw/zinc/69/34/68/643693468.db2.gz AKMNYQKJYSOHOB-MRXNPFEDSA-N 2 1 274.408 2.195 20 0 CEADMP Fc1cccc(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000923414366 643701725 /nfs/dbraw/zinc/70/17/25/643701725.db2.gz LVSFYKKLDNOSFC-GDBMZVCRSA-N 2 1 262.372 2.442 20 0 CEADMP CCc1onc(C)c1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923414704 643702099 /nfs/dbraw/zinc/70/20/99/643702099.db2.gz NVZIPHNXYJFALU-GXTWGEPZSA-N 2 1 263.385 2.119 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923414704 643702102 /nfs/dbraw/zinc/70/21/02/643702102.db2.gz NVZIPHNXYJFALU-GXTWGEPZSA-N 2 1 263.385 2.119 20 0 CEADMP Fc1cccc(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000923414369 643702306 /nfs/dbraw/zinc/70/23/06/643702306.db2.gz LVSFYKKLDNOSFC-ZBFHGGJFSA-N 2 1 262.372 2.442 20 0 CEADMP C[C@@]1(c2ccccc2)CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923427372 643706420 /nfs/dbraw/zinc/70/64/20/643706420.db2.gz RREZVOOCGJAMDJ-SJORKVTESA-N 2 1 286.419 2.376 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000923428788 643707377 /nfs/dbraw/zinc/70/73/77/643707377.db2.gz RNKQXXBRTMWHIY-ROUUACIJSA-N 2 1 288.435 2.494 20 0 CEADMP Cc1ccc(N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)c(C)c1 ZINC000853247831 643721357 /nfs/dbraw/zinc/72/13/57/643721357.db2.gz CDSMDSALPKXILO-SFHVURJKSA-N 2 1 287.451 2.425 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000923487189 643729863 /nfs/dbraw/zinc/72/98/63/643729863.db2.gz AODXXTMZIRPHLP-SNVBAGLBSA-N 2 1 299.777 2.088 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000923487189 643729867 /nfs/dbraw/zinc/72/98/67/643729867.db2.gz AODXXTMZIRPHLP-SNVBAGLBSA-N 2 1 299.777 2.088 20 0 CEADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)cc1C ZINC000923486954 643730005 /nfs/dbraw/zinc/73/00/05/643730005.db2.gz VXYSUXWXMGVDLK-CABCVRRESA-N 2 1 289.423 2.301 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000923478672 643731221 /nfs/dbraw/zinc/73/12/21/643731221.db2.gz GCGMKKZZSVQXMI-IINYFYTJSA-N 2 1 286.778 2.183 20 0 CEADMP Cc1cccc(-c2noc(C[N@H+]3CC[C@@H](CC[NH3+])C3)n2)c1 ZINC000923485076 643732834 /nfs/dbraw/zinc/73/28/34/643732834.db2.gz DYWCJEAACYJSBJ-CYBMUJFWSA-N 2 1 286.379 2.216 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000923484826 643733175 /nfs/dbraw/zinc/73/31/75/643733175.db2.gz ODOSNNVFGORBBR-JTQLQIEISA-N 2 1 273.302 2.271 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)C1CCCC1 ZINC000923488077 643734929 /nfs/dbraw/zinc/73/49/29/643734929.db2.gz DAIKQYLSFUMBHK-AEGPPILISA-N 2 1 254.418 2.108 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)cc1F ZINC000923488142 643734944 /nfs/dbraw/zinc/73/49/44/643734944.db2.gz QFZZVBYTUBOBAG-STQMWFEESA-N 2 1 293.386 2.132 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)O2)CC[C@@H]1C[NH3+] ZINC000923491096 643735885 /nfs/dbraw/zinc/73/58/85/643735885.db2.gz QRJMYIRCPWFPLQ-MGPQQGTHSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@H]1C[N@@H+](CCSC(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923492259 643735997 /nfs/dbraw/zinc/73/59/97/643735997.db2.gz MLTJSYBSXNAWTA-DTWKUNHWSA-N 2 1 256.337 2.156 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)CC[C@@H]1C[NH3+] ZINC000923495041 643738765 /nfs/dbraw/zinc/73/87/65/643738765.db2.gz SKGGTNWTSDAQQS-MXWKQRLJSA-N 2 1 265.228 2.487 20 0 CEADMP COc1ccc(C)cc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497236 643739881 /nfs/dbraw/zinc/73/98/81/643739881.db2.gz ATLWDPWXOARFSY-UONOGXRCSA-N 2 1 262.397 2.420 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923498557 643740893 /nfs/dbraw/zinc/74/08/93/643740893.db2.gz OXXPBCYDQMCLJG-KBPBESRZSA-N 2 1 270.417 2.027 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501794 643742490 /nfs/dbraw/zinc/74/24/90/643742490.db2.gz VRCDCQOKHISZSB-PMPSAXMXSA-N 2 1 297.487 2.234 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)CC[C@@H]1C[NH3+] ZINC000923501882 643742523 /nfs/dbraw/zinc/74/25/23/643742523.db2.gz WLSKDDGJIVFAJV-CMPLNLGQSA-N 2 1 254.324 2.382 20 0 CEADMP Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923505507 643743266 /nfs/dbraw/zinc/74/32/66/643743266.db2.gz AIBUGKIZIYGILG-GJZGRUSLSA-N 2 1 289.423 2.159 20 0 CEADMP Cc1ccc2c(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc(=O)oc2c1 ZINC000923516896 643747479 /nfs/dbraw/zinc/74/74/79/643747479.db2.gz XGYBCCMSRQNCDV-DZGCQCFKSA-N 2 1 298.386 2.143 20 0 CEADMP Cc1ccc2c(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc(=O)oc2c1 ZINC000923516896 643747497 /nfs/dbraw/zinc/74/74/97/643747497.db2.gz XGYBCCMSRQNCDV-DZGCQCFKSA-N 2 1 298.386 2.143 20 0 CEADMP FC(F)Oc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923520455 643749571 /nfs/dbraw/zinc/74/95/71/643749571.db2.gz ZMWAVTGVOBLROW-QWHCGFSZSA-N 2 1 282.334 2.329 20 0 CEADMP Clc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923521779 643749628 /nfs/dbraw/zinc/74/96/28/643749628.db2.gz VBFSMGNNZAZSEI-QWHCGFSZSA-N 2 1 250.773 2.381 20 0 CEADMP Clc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923521779 643749632 /nfs/dbraw/zinc/74/96/32/643749632.db2.gz VBFSMGNNZAZSEI-QWHCGFSZSA-N 2 1 250.773 2.381 20 0 CEADMP Cc1csc(C[C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000923552090 643758741 /nfs/dbraw/zinc/75/87/41/643758741.db2.gz SVASZPCJKWAUIP-ZIAGYGMSSA-N 2 1 279.453 2.316 20 0 CEADMP Cc1csc(C[C@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923550328 643760890 /nfs/dbraw/zinc/76/08/90/643760890.db2.gz BHTUZNGUYYTOOD-CYBMUJFWSA-N 2 1 279.453 2.458 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CC ZINC000111547733 643881695 /nfs/dbraw/zinc/88/16/95/643881695.db2.gz NFRRBRGHQKARKL-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000111547733 643881699 /nfs/dbraw/zinc/88/16/99/643881699.db2.gz NFRRBRGHQKARKL-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000111547733 643881703 /nfs/dbraw/zinc/88/17/03/643881703.db2.gz NFRRBRGHQKARKL-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)OC ZINC000877738864 650881617 /nfs/dbraw/zinc/88/16/17/650881617.db2.gz DKOBYZCLIIKMBJ-YJNKXOJESA-N 2 1 254.418 2.074 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)OC ZINC000877738864 650881620 /nfs/dbraw/zinc/88/16/20/650881620.db2.gz DKOBYZCLIIKMBJ-YJNKXOJESA-N 2 1 254.418 2.074 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)OC ZINC000877738864 650881624 /nfs/dbraw/zinc/88/16/24/650881624.db2.gz DKOBYZCLIIKMBJ-YJNKXOJESA-N 2 1 254.418 2.074 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CC3Cc4ccccc4C3)CC[C@@H]21 ZINC000877740607 650884561 /nfs/dbraw/zinc/88/45/61/650884561.db2.gz KKUBZTMMEQJWPJ-ROUUACIJSA-N 2 1 270.420 2.427 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CC3Cc4ccccc4C3)CC[C@@H]21 ZINC000877740607 650884562 /nfs/dbraw/zinc/88/45/62/650884562.db2.gz KKUBZTMMEQJWPJ-ROUUACIJSA-N 2 1 270.420 2.427 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CC3Cc4ccccc4C3)CC[C@@H]21 ZINC000877740607 650884564 /nfs/dbraw/zinc/88/45/64/650884564.db2.gz KKUBZTMMEQJWPJ-ROUUACIJSA-N 2 1 270.420 2.427 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000877744414 650890096 /nfs/dbraw/zinc/89/00/96/650890096.db2.gz SQWHZPAIUJRNPM-SJLPKXTDSA-N 2 1 296.418 2.398 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000877744414 650890098 /nfs/dbraw/zinc/89/00/98/650890098.db2.gz SQWHZPAIUJRNPM-SJLPKXTDSA-N 2 1 296.418 2.398 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000877744414 650890101 /nfs/dbraw/zinc/89/01/01/650890101.db2.gz SQWHZPAIUJRNPM-SJLPKXTDSA-N 2 1 296.418 2.398 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000877744414 650890106 /nfs/dbraw/zinc/89/01/06/650890106.db2.gz SQWHZPAIUJRNPM-SJLPKXTDSA-N 2 1 296.418 2.398 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000838860376 644052566 /nfs/dbraw/zinc/05/25/66/644052566.db2.gz VPFNSNGKICILIY-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000838860376 644052572 /nfs/dbraw/zinc/05/25/72/644052572.db2.gz VPFNSNGKICILIY-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000838860376 644052575 /nfs/dbraw/zinc/05/25/75/644052575.db2.gz VPFNSNGKICILIY-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000838899089 644075339 /nfs/dbraw/zinc/07/53/39/644075339.db2.gz FEXBKNXBFHGUQQ-UHFFFAOYSA-N 2 1 282.428 2.182 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000839094684 644145934 /nfs/dbraw/zinc/14/59/34/644145934.db2.gz BEIXMJGUQANGIZ-AWEZNQCLSA-N 2 1 284.444 2.286 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(F)nc2)C1 ZINC000839182850 644182408 /nfs/dbraw/zinc/18/24/08/644182408.db2.gz QQHNQLSXAPVWEI-GFCCVEGCSA-N 2 1 251.349 2.042 20 0 CEADMP C[C@H](NCC[NH+]1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754465122 644376469 /nfs/dbraw/zinc/37/64/69/644376469.db2.gz SCSICXDKETZFFP-HOTGVXAUSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H]([NH2+]CCN1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754465122 644376476 /nfs/dbraw/zinc/37/64/76/644376476.db2.gz SCSICXDKETZFFP-HOTGVXAUSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H]([NH2+]CCN1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754465122 644376479 /nfs/dbraw/zinc/37/64/79/644376479.db2.gz SCSICXDKETZFFP-HOTGVXAUSA-N 2 1 279.472 2.325 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1OCCCO1 ZINC000754657201 644409988 /nfs/dbraw/zinc/40/99/88/644409988.db2.gz HFQFDDZUSRIQHE-OAHLLOKOSA-N 2 1 282.428 2.090 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](CN2CCC2=O)CC1)CC(C)C ZINC000857235205 644865676 /nfs/dbraw/zinc/86/56/76/644865676.db2.gz ZVVSOHLAOXZQAZ-UHFFFAOYSA-N 2 1 295.471 2.256 20 0 CEADMP Cc1[nH+]ccc(N2CCN(c3[nH+]ccn3C)CC2)c1Cl ZINC000759064607 644982295 /nfs/dbraw/zinc/98/22/95/644982295.db2.gz JMVVNLQGYSOETO-UHFFFAOYSA-N 2 1 291.786 2.104 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2F)CC1(C)C ZINC000858105530 645062465 /nfs/dbraw/zinc/06/24/65/645062465.db2.gz PWFXWSBYXGFUGC-IUODEOHRSA-N 2 1 280.387 2.322 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2F)CC1(C)C ZINC000858105530 645062471 /nfs/dbraw/zinc/06/24/71/645062471.db2.gz PWFXWSBYXGFUGC-IUODEOHRSA-N 2 1 280.387 2.322 20 0 CEADMP COc1cccc([C@@H](O)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000858133769 645069995 /nfs/dbraw/zinc/06/99/95/645069995.db2.gz XGOIJZGSCAKHHA-ZBFHGGJFSA-N 2 1 292.423 2.191 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccsc2)CC1(C)C ZINC000858143236 645073156 /nfs/dbraw/zinc/07/31/56/645073156.db2.gz IBSIVLJJZBENPB-OLZOCXBDSA-N 2 1 268.426 2.244 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccsc2)CC1(C)C ZINC000858143236 645073164 /nfs/dbraw/zinc/07/31/64/645073164.db2.gz IBSIVLJJZBENPB-OLZOCXBDSA-N 2 1 268.426 2.244 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCc3ccccc32)CC1(C)C ZINC000858153415 645076462 /nfs/dbraw/zinc/07/64/62/645076462.db2.gz LIZWXEXIUISBGS-YJBOKZPZSA-N 2 1 288.435 2.283 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccnc(F)c2)C1 ZINC000858177050 645081332 /nfs/dbraw/zinc/08/13/32/645081332.db2.gz GWPNEVDFGUYKMR-GFCCVEGCSA-N 2 1 251.349 2.042 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNc2cc[nH+]c(CO)c2)C1 ZINC000858350969 645128078 /nfs/dbraw/zinc/12/80/78/645128078.db2.gz DAEXLLYYBASJJQ-CQSZACIVSA-N 2 1 277.412 2.498 20 0 CEADMP C[N@H+]1CC[C@@H](Nc2cc[nH+]c(CO)c2)[C@H]1c1ccccc1 ZINC000858459781 645168785 /nfs/dbraw/zinc/16/87/85/645168785.db2.gz KQZKAJVLOLVLGN-IAGOWNOFSA-N 2 1 283.375 2.431 20 0 CEADMP CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000878056143 650986092 /nfs/dbraw/zinc/98/60/92/650986092.db2.gz BPOSAMVGVFEWJZ-ZIAGYGMSSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000878056140 650986182 /nfs/dbraw/zinc/98/61/82/650986182.db2.gz BPOSAMVGVFEWJZ-UONOGXRCSA-N 2 1 295.471 2.096 20 0 CEADMP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000858507717 645185040 /nfs/dbraw/zinc/18/50/40/645185040.db2.gz KRSZFUBKYWENQC-JONQDZQNSA-N 2 1 292.423 2.101 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)nc2)CCCO1 ZINC000762482801 645417503 /nfs/dbraw/zinc/41/75/03/645417503.db2.gz MFCJZLLINZJHQG-CYBMUJFWSA-N 2 1 297.830 2.326 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)nc2)CCCO1 ZINC000762482801 645417506 /nfs/dbraw/zinc/41/75/06/645417506.db2.gz MFCJZLLINZJHQG-CYBMUJFWSA-N 2 1 297.830 2.326 20 0 CEADMP Cc1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)ncn1 ZINC000859213048 645421618 /nfs/dbraw/zinc/42/16/18/645421618.db2.gz QPYMWKWDOXIAPL-UHFFFAOYSA-N 2 1 284.407 2.479 20 0 CEADMP Cc1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)ncn1 ZINC000859213048 645421631 /nfs/dbraw/zinc/42/16/31/645421631.db2.gz QPYMWKWDOXIAPL-UHFFFAOYSA-N 2 1 284.407 2.479 20 0 CEADMP CC(C)[C@@H](O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213377 645421896 /nfs/dbraw/zinc/42/18/96/645421896.db2.gz MYWJDSRPTFOHJV-INIZCTEOSA-N 2 1 264.413 2.197 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H](O)C(C)C)C[C@@H]1C ZINC000878163539 651020154 /nfs/dbraw/zinc/02/01/54/651020154.db2.gz SVYQCUUYYXFWNE-KKUMJFAQSA-N 2 1 256.434 2.198 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H](O)C(C)C)C[C@@H]1C ZINC000878163539 651020155 /nfs/dbraw/zinc/02/01/55/651020155.db2.gz SVYQCUUYYXFWNE-KKUMJFAQSA-N 2 1 256.434 2.198 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC4(CCC4)CO3)CC[C@H]21 ZINC000878197855 651033504 /nfs/dbraw/zinc/03/35/04/651033504.db2.gz QYKLLPLLQOXZAS-BZUAXINKSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CC4(CCC4)CO3)CC[C@H]21 ZINC000878197855 651033509 /nfs/dbraw/zinc/03/35/09/651033509.db2.gz QYKLLPLLQOXZAS-BZUAXINKSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CC4(CCC4)CO3)CC[C@H]21 ZINC000878197855 651033514 /nfs/dbraw/zinc/03/35/14/651033514.db2.gz QYKLLPLLQOXZAS-BZUAXINKSA-N 2 1 278.440 2.362 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC[C@@H]21 ZINC000878197500 651034182 /nfs/dbraw/zinc/03/41/82/651034182.db2.gz NHLKWFYOGDUBOT-BQJWPVKWSA-N 2 1 278.440 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC[C@@H]21 ZINC000878197500 651034184 /nfs/dbraw/zinc/03/41/84/651034184.db2.gz NHLKWFYOGDUBOT-BQJWPVKWSA-N 2 1 278.440 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC[C@@H]21 ZINC000878197500 651034186 /nfs/dbraw/zinc/03/41/86/651034186.db2.gz NHLKWFYOGDUBOT-BQJWPVKWSA-N 2 1 278.440 2.360 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000878235419 651042214 /nfs/dbraw/zinc/04/22/14/651042214.db2.gz GRUMNYBBYWOYEF-HNNXBMFYSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000765767832 645805280 /nfs/dbraw/zinc/80/52/80/645805280.db2.gz HTGFFRNMNCIRBV-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCN(C)C3)CC2)C1 ZINC000765767832 645805284 /nfs/dbraw/zinc/80/52/84/645805284.db2.gz HTGFFRNMNCIRBV-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP c1cc(N2CC[NH+](Cc3ccc4c(c3)COC4)CC2)cc[nH+]1 ZINC000768201471 646096864 /nfs/dbraw/zinc/09/68/64/646096864.db2.gz UEVQSOVBDPEXNZ-UHFFFAOYSA-N 2 1 295.386 2.434 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1(C)C ZINC000770510817 646400796 /nfs/dbraw/zinc/40/07/96/646400796.db2.gz RFUQWYJQMKXPFH-HUUCEWRRSA-N 2 1 268.445 2.464 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000863553136 646754803 /nfs/dbraw/zinc/75/48/03/646754803.db2.gz VNPLCYFOINYZGJ-QWHCGFSZSA-N 3 1 295.393 2.355 20 0 CEADMP [NH3+]CCCCCCCN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000863553136 646754806 /nfs/dbraw/zinc/75/48/06/646754806.db2.gz VNPLCYFOINYZGJ-QWHCGFSZSA-N 2 1 295.393 2.355 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C2(CCC2)CO1 ZINC000864049121 646869633 /nfs/dbraw/zinc/86/96/33/646869633.db2.gz ATLBPLFPQNHOPE-AWEZNQCLSA-N 2 1 286.419 2.476 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)C[C@@H](O)c2ccco2)CC1 ZINC000775402177 646950321 /nfs/dbraw/zinc/95/03/21/646950321.db2.gz ZNCKOOSXZWFZIZ-TZMCWYRMSA-N 2 1 266.385 2.166 20 0 CEADMP COc1cncc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000865483207 647319306 /nfs/dbraw/zinc/31/93/06/647319306.db2.gz GMRDBVKXDFANCO-HUUCEWRRSA-N 2 1 277.412 2.361 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnc(Cl)c(F)c1)C[NH+](C)C ZINC000865577665 647368572 /nfs/dbraw/zinc/36/85/72/647368572.db2.gz NJFQNVQJHYLWMN-VIFPVBQESA-N 2 1 259.756 2.161 20 0 CEADMP CC(=O)NCC1CCC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000865600380 647379209 /nfs/dbraw/zinc/37/92/09/647379209.db2.gz LHGDUAOCFNBRDH-CGZBRXJRSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC3(CO2)CCOCC3)CC1(C)C ZINC000865778179 647460644 /nfs/dbraw/zinc/46/06/44/647460644.db2.gz GUPCXMZAYYJJQQ-CABCVRRESA-N 2 1 296.455 2.035 20 0 CEADMP Cn1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2cccnc21 ZINC000865812823 647475214 /nfs/dbraw/zinc/47/52/14/647475214.db2.gz VQHGNWPXVRZOLK-HOTGVXAUSA-N 2 1 298.434 2.332 20 0 CEADMP C[N@@H+]1CCN(CC[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000781216441 647509424 /nfs/dbraw/zinc/50/94/24/647509424.db2.gz YPEVWYWPIRADTH-KRWDZBQOSA-N 2 1 273.424 2.071 20 0 CEADMP C[N@H+]1CCN(CC[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000781216441 647509427 /nfs/dbraw/zinc/50/94/27/647509427.db2.gz YPEVWYWPIRADTH-KRWDZBQOSA-N 2 1 273.424 2.071 20 0 CEADMP Cc1cccc(C[C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000866244610 647691767 /nfs/dbraw/zinc/69/17/67/647691767.db2.gz QWXUENSGZKFJOB-INIZCTEOSA-N 2 1 290.451 2.362 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)C1 ZINC000866263136 647703348 /nfs/dbraw/zinc/70/33/48/647703348.db2.gz NAMLFFMDXZMTRT-FVQBIDKESA-N 2 1 266.429 2.266 20 0 CEADMP C(CCC1CC1)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000866542003 647820978 /nfs/dbraw/zinc/82/09/78/647820978.db2.gz VRUZARLSUFUEGW-MRXNPFEDSA-N 2 1 266.429 2.410 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2c3ccccc3CN2C)[C@@H](C)C1 ZINC000866561336 647825313 /nfs/dbraw/zinc/82/53/13/647825313.db2.gz CEQHKHLFKZQYDJ-JCGIZDLHSA-N 2 1 287.451 2.493 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561720 647825409 /nfs/dbraw/zinc/82/54/09/647825409.db2.gz KCJPNGZEQSAHRP-HIFRSBDPSA-N 2 1 254.418 2.144 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561720 647825413 /nfs/dbraw/zinc/82/54/13/647825413.db2.gz KCJPNGZEQSAHRP-HIFRSBDPSA-N 2 1 254.418 2.144 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCc2cccc3c2OC(F)(F)O3)C1 ZINC000866659321 647858622 /nfs/dbraw/zinc/85/86/22/647858622.db2.gz JZDYVMRFTNEOAZ-NSHDSACASA-N 2 1 298.333 2.221 20 0 CEADMP C[C@H]1C[N@H+](CCN2c3ccccc3[C@@H]([NH3+])C2(C)C)CCO1 ZINC000866701532 647873999 /nfs/dbraw/zinc/87/39/99/647873999.db2.gz LONOUZMJXZAIPH-XJKSGUPXSA-N 2 1 289.423 2.006 20 0 CEADMP C[C@H]1C[N@@H+](CCN2c3ccccc3[C@@H]([NH3+])C2(C)C)CCO1 ZINC000866701532 647874000 /nfs/dbraw/zinc/87/40/00/647874000.db2.gz LONOUZMJXZAIPH-XJKSGUPXSA-N 2 1 289.423 2.006 20 0 CEADMP COc1ccccc1[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000866703970 647875542 /nfs/dbraw/zinc/87/55/42/647875542.db2.gz QRJJHJYQTQNEGC-YOEHRIQHSA-N 2 1 290.407 2.068 20 0 CEADMP CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705943 647877233 /nfs/dbraw/zinc/87/72/33/647877233.db2.gz KHXVWJLPLBUNFN-KRWDZBQOSA-N 2 1 297.487 2.236 20 0 CEADMP CC(C)(C)CCNC(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705943 647877239 /nfs/dbraw/zinc/87/72/39/647877239.db2.gz KHXVWJLPLBUNFN-KRWDZBQOSA-N 2 1 297.487 2.236 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000866707420 647878442 /nfs/dbraw/zinc/87/84/42/647878442.db2.gz OCQSSBSOGGHHDL-HOCLYGCPSA-N 3 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@]1(CN)CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000866707420 647878446 /nfs/dbraw/zinc/87/84/46/647878446.db2.gz OCQSSBSOGGHHDL-HOCLYGCPSA-N 2 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@]1(CN)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000866707420 647878450 /nfs/dbraw/zinc/87/84/50/647878450.db2.gz OCQSSBSOGGHHDL-HOCLYGCPSA-N 2 1 267.461 2.073 20 0 CEADMP CCOC(CC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)OCC ZINC000786970691 648061587 /nfs/dbraw/zinc/06/15/87/648061587.db2.gz MRRCYQSVAKGMKZ-KBPBESRZSA-N 2 1 272.433 2.096 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCOC(=O)c1ccc2c[nH+]cn2c1 ZINC000792545789 648652819 /nfs/dbraw/zinc/65/28/19/648652819.db2.gz HLASXQDNXJVZIN-CQSZACIVSA-N 2 1 287.363 2.366 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871156325 649016147 /nfs/dbraw/zinc/01/61/47/649016147.db2.gz WPSWVRNWZSLNFA-CYBMUJFWSA-N 2 1 283.460 2.096 20 0 CEADMP COCC(C)(C)CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000872104807 649278765 /nfs/dbraw/zinc/27/87/65/649278765.db2.gz QGFZFWZSISZATP-INIZCTEOSA-N 2 1 298.471 2.282 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC2(CO1)CCOCC2)C1CC[NH2+]CC1 ZINC000872141459 649290746 /nfs/dbraw/zinc/29/07/46/649290746.db2.gz HCTSZHUOMOXHQW-INIZCTEOSA-N 2 1 296.455 2.036 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000872143869 649293844 /nfs/dbraw/zinc/29/38/44/649293844.db2.gz YZLPXBXAJSVKQK-NQNKBUKLSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC3(CCC3)CO2)C[C@@H]1C[NH3+] ZINC000872144248 649294988 /nfs/dbraw/zinc/29/49/88/649294988.db2.gz DNRWSRWNRYLHOA-QPSCCSFWSA-N 2 1 266.429 2.251 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCOCC3)[C@H]1CC[NH3+] ZINC000872145367 649295759 /nfs/dbraw/zinc/29/57/59/649295759.db2.gz RRMYAFUIXHWXOG-OAGGEKHMSA-N 2 1 296.455 2.021 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)nc1 ZINC000872154873 649298528 /nfs/dbraw/zinc/29/85/28/649298528.db2.gz CXHWLYMLOPRDID-NXEZZACHSA-N 2 1 273.302 2.361 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872292273 649347419 /nfs/dbraw/zinc/34/74/19/649347419.db2.gz REKQSFUQDULGHM-ZNMIVQPWSA-N 2 1 283.460 2.131 20 0 CEADMP C[C@@H]1C[N@H+](CCCNc2cc[nH+]cc2C2CC2)C[C@H](C)O1 ZINC000872401751 649380456 /nfs/dbraw/zinc/38/04/56/649380456.db2.gz HYAGCOIFVZPMAU-OKILXGFUSA-N 2 1 289.423 2.292 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000873155823 649573693 /nfs/dbraw/zinc/57/36/93/649573693.db2.gz MDNUOQBHHDOTSD-CYBMUJFWSA-N 2 1 263.385 2.052 20 0 CEADMP OCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CCCC1 ZINC000873201841 649586314 /nfs/dbraw/zinc/58/63/14/649586314.db2.gz ZBAZOFLLAHFZFI-UHFFFAOYSA-N 2 1 280.437 2.131 20 0 CEADMP C[C@@H]1C[C@H](N(C)Cc2cc3c(s2)CC[NH2+]C3)CC[N@H+]1C ZINC000873208365 649590152 /nfs/dbraw/zinc/59/01/52/649590152.db2.gz UTFLIPOYSLJKTG-TZMCWYRMSA-N 2 1 293.480 2.308 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)CCN1C ZINC000873208365 649590155 /nfs/dbraw/zinc/59/01/55/649590155.db2.gz UTFLIPOYSLJKTG-TZMCWYRMSA-N 2 1 293.480 2.308 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)CCN1C ZINC000873208365 649590157 /nfs/dbraw/zinc/59/01/57/649590157.db2.gz UTFLIPOYSLJKTG-TZMCWYRMSA-N 2 1 293.480 2.308 20 0 CEADMP CC[N@@H+](CCCNCc1cnc(N)cn1)C1CCCCC1 ZINC000873212884 649591850 /nfs/dbraw/zinc/59/18/50/649591850.db2.gz BOTJTFNHYXTXBX-UHFFFAOYSA-N 2 1 291.443 2.193 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)C[C@@H]1C(F)(F)F ZINC000873227768 649599704 /nfs/dbraw/zinc/59/97/04/649599704.db2.gz NHGDPGYLHIXAFI-NEPJUHHUSA-N 2 1 298.312 2.132 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)C[C@@H]1C(F)(F)F ZINC000873227768 649599707 /nfs/dbraw/zinc/59/97/07/649599707.db2.gz NHGDPGYLHIXAFI-NEPJUHHUSA-N 2 1 298.312 2.132 20 0 CEADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C1)C1CCCC1 ZINC000873232679 649603353 /nfs/dbraw/zinc/60/33/53/649603353.db2.gz VURLYVPJIMEUNQ-DZJNRPSUSA-N 3 1 291.483 2.216 20 0 CEADMP [NH3+][C@H](C[C@@H]1CCCN(C[C@]23C[C@H]2C[NH2+]C3)C1)C1CCCC1 ZINC000873232679 649603357 /nfs/dbraw/zinc/60/33/57/649603357.db2.gz VURLYVPJIMEUNQ-DZJNRPSUSA-N 2 1 291.483 2.216 20 0 CEADMP CC(C)[NH+]1CCC(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000873243365 649606714 /nfs/dbraw/zinc/60/67/14/649606714.db2.gz XHLBNPXHZRFDNU-ZBFHGGJFSA-N 3 1 267.461 2.085 20 0 CEADMP C[C@H]([NH2+]CC[C@H]1CCCS1)c1c[nH+]ccc1N ZINC000873245140 649607270 /nfs/dbraw/zinc/60/72/70/649607270.db2.gz XPQWQHPJWACMJX-WDEREUQCSA-N 2 1 251.399 2.430 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2Cc3ccccc3C[NH2+]2)[C@@H]2CCC[C@H]21 ZINC000873296958 649632663 /nfs/dbraw/zinc/63/26/63/649632663.db2.gz OKWNFGCAGRMESA-CADBVGFASA-N 2 1 299.462 2.163 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CN2)[C@@H]2CCC[C@H]21 ZINC000873296958 649632664 /nfs/dbraw/zinc/63/26/64/649632664.db2.gz OKWNFGCAGRMESA-CADBVGFASA-N 2 1 299.462 2.163 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CN2)[C@@H]2CCC[C@H]21 ZINC000873296958 649632666 /nfs/dbraw/zinc/63/26/66/649632666.db2.gz OKWNFGCAGRMESA-CADBVGFASA-N 2 1 299.462 2.163 20 0 CEADMP C[N@@H+](CC(=O)NC1CC[NH+](C(C)(C)C)CC1)CC(C)(C)C ZINC000874104005 649748199 /nfs/dbraw/zinc/74/81/99/649748199.db2.gz QMVNEAOWUTURPR-UHFFFAOYSA-N 2 1 297.487 2.343 20 0 CEADMP CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1C ZINC000878474670 651105971 /nfs/dbraw/zinc/10/59/71/651105971.db2.gz DDWFMERZPTVWDZ-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878512095 651117220 /nfs/dbraw/zinc/11/72/20/651117220.db2.gz LAXXKZAGYKHORU-HOTGVXAUSA-N 2 1 296.455 2.131 20 0 CEADMP C=C/C=C\CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000879000486 651225713 /nfs/dbraw/zinc/22/57/13/651225713.db2.gz DUFHVCIEBUKLEU-IYKSTZQJSA-N 2 1 252.402 2.161 20 0 CEADMP CC(C)[C@H](O)CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000879203467 651259554 /nfs/dbraw/zinc/25/95/54/651259554.db2.gz OTIOWNVNLUELPC-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP CO[C@@H]1CC[C@@H](C)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000879327599 651287087 /nfs/dbraw/zinc/28/70/87/651287087.db2.gz WYEWEIRJMOFBHS-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879564192 651322488 /nfs/dbraw/zinc/32/24/88/651322488.db2.gz XNAHPFAQFFKYPI-MGPQQGTHSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879564192 651322490 /nfs/dbraw/zinc/32/24/90/651322490.db2.gz XNAHPFAQFFKYPI-MGPQQGTHSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879564192 651322491 /nfs/dbraw/zinc/32/24/91/651322491.db2.gz XNAHPFAQFFKYPI-MGPQQGTHSA-N 2 1 254.443 2.156 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3cccs3)CC[C@H]21 ZINC000879572107 651323776 /nfs/dbraw/zinc/32/37/76/651323776.db2.gz FCLNEEKTQLYIKH-TZMCWYRMSA-N 2 1 250.411 2.317 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3cccs3)CC[C@H]21 ZINC000879572107 651323777 /nfs/dbraw/zinc/32/37/77/651323777.db2.gz FCLNEEKTQLYIKH-TZMCWYRMSA-N 2 1 250.411 2.317 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3cccs3)CC[C@H]21 ZINC000879572107 651323779 /nfs/dbraw/zinc/32/37/79/651323779.db2.gz FCLNEEKTQLYIKH-TZMCWYRMSA-N 2 1 250.411 2.317 20 0 CEADMP C[N@H+]1CC[C@H]2CN(CCC(=O)C(C)(C)C)CC[C@@H]21 ZINC000879580767 651326624 /nfs/dbraw/zinc/32/66/24/651326624.db2.gz KICVKZCNHDVSFN-STQMWFEESA-N 2 1 252.402 2.018 20 0 CEADMP CN1CC[C@H]2C[N@H+](CCC(=O)C(C)(C)C)CC[C@@H]21 ZINC000879580767 651326626 /nfs/dbraw/zinc/32/66/26/651326626.db2.gz KICVKZCNHDVSFN-STQMWFEESA-N 2 1 252.402 2.018 20 0 CEADMP CN1CC[C@H]2C[N@@H+](CCC(=O)C(C)(C)C)CC[C@@H]21 ZINC000879580767 651326628 /nfs/dbraw/zinc/32/66/28/651326628.db2.gz KICVKZCNHDVSFN-STQMWFEESA-N 2 1 252.402 2.018 20 0 CEADMP Cc1nc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)no1 ZINC000879702335 651341506 /nfs/dbraw/zinc/34/15/06/651341506.db2.gz KWOLRBCIGPDXJE-UHFFFAOYSA-N 2 1 280.416 2.178 20 0 CEADMP Cc1nc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)no1 ZINC000879702335 651341507 /nfs/dbraw/zinc/34/15/07/651341507.db2.gz KWOLRBCIGPDXJE-UHFFFAOYSA-N 2 1 280.416 2.178 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879735138 651344658 /nfs/dbraw/zinc/34/46/58/651344658.db2.gz UGHYDIUGUZCDJU-AWEZNQCLSA-N 2 1 263.385 2.273 20 0 CEADMP CC1([NH+]2CCCCC2)CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000879948277 651364031 /nfs/dbraw/zinc/36/40/31/651364031.db2.gz ANFNCGWUGSHUHB-OAHLLOKOSA-N 2 1 294.439 2.280 20 0 CEADMP CC(C)NC(=O)CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879949537 651364065 /nfs/dbraw/zinc/36/40/65/651364065.db2.gz ZBQYFKVAAXYXHT-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP CCC1([NH+]2CCCCC2)CC[NH+](CCCCO)CC1 ZINC000880256132 651410918 /nfs/dbraw/zinc/41/09/18/651410918.db2.gz FGOXGJHNZKNQET-UHFFFAOYSA-N 2 1 268.445 2.489 20 0 CEADMP CO[C@@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)C1CCC1 ZINC000880259070 651411758 /nfs/dbraw/zinc/41/17/58/651411758.db2.gz MFXOALFNPSORJL-PBHICJAKSA-N 2 1 289.423 2.407 20 0 CEADMP Cc1ncccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261370 651412014 /nfs/dbraw/zinc/41/20/14/651412014.db2.gz VFBCOXCYKBYDAM-CQSZACIVSA-N 2 1 282.391 2.496 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000880260042 651412078 /nfs/dbraw/zinc/41/20/78/651412078.db2.gz MNJXWDHMOSPGLD-CQSZACIVSA-N 2 1 275.396 2.019 20 0 CEADMP CSCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260989 651412178 /nfs/dbraw/zinc/41/21/78/651412178.db2.gz HFNOAXKKOUZJPX-ZDUSSCGKSA-N 2 1 265.426 2.345 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@H]2CCCOC2)CCN1c1cc[nH+]cc1 ZINC000880263663 651412496 /nfs/dbraw/zinc/41/24/96/651412496.db2.gz ZRWLSSQIABKMKX-GJZGRUSLSA-N 2 1 275.396 2.019 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCCCO)CCN1c1cc[nH+]cc1 ZINC000880263659 651412742 /nfs/dbraw/zinc/41/27/42/651412742.db2.gz ZPKDXAVUAMYYNQ-OAHLLOKOSA-N 2 1 277.412 2.145 20 0 CEADMP C[C@@]1(c2ccccc2)CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000880371349 651430864 /nfs/dbraw/zinc/43/08/64/651430864.db2.gz GCUOGWFINYFULO-ROUUACIJSA-N 2 1 288.435 2.454 20 0 CEADMP C[C@@]1(c2ccccc2)CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000880371349 651430865 /nfs/dbraw/zinc/43/08/65/651430865.db2.gz GCUOGWFINYFULO-ROUUACIJSA-N 2 1 288.435 2.454 20 0 CEADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@@H](CO)c1ccccc1 ZINC000880460919 651444870 /nfs/dbraw/zinc/44/48/70/651444870.db2.gz APVCSZKDAQEKGX-KRWDZBQOSA-N 2 1 287.407 2.408 20 0 CEADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H](CO)c1ccccc1 ZINC000880460919 651444871 /nfs/dbraw/zinc/44/48/71/651444871.db2.gz APVCSZKDAQEKGX-KRWDZBQOSA-N 2 1 287.407 2.408 20 0 CEADMP C[C@H]1CC[C@H](C[NH+]2CCC(C)([NH+]3CCC3)CC2)O1 ZINC000880473643 651447009 /nfs/dbraw/zinc/44/70/09/651447009.db2.gz LATMKSZGXWYGLW-UONOGXRCSA-N 2 1 252.402 2.114 20 0 CEADMP COC(CC[N@@H+](C)CCCC[NH+]1CCCCC1)OC ZINC000880517162 651454206 /nfs/dbraw/zinc/45/42/06/651454206.db2.gz KBMIFZOWBDEDTF-UHFFFAOYSA-N 2 1 272.433 2.193 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000881389088 651705329 /nfs/dbraw/zinc/70/53/29/651705329.db2.gz VUFXWUNGADEHQF-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000881389088 651705333 /nfs/dbraw/zinc/70/53/33/651705333.db2.gz VUFXWUNGADEHQF-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000881389088 651705335 /nfs/dbraw/zinc/70/53/35/651705335.db2.gz VUFXWUNGADEHQF-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1cc(N2CCC(C)([NH+]3CCC3)CC2)nc(C)[nH+]1 ZINC000882964405 652294618 /nfs/dbraw/zinc/29/46/18/652294618.db2.gz BVGYJGPEZRIPBG-UHFFFAOYSA-N 2 1 260.385 2.158 20 0 CEADMP CCC[N@H+](Cc1cc(OC)cc(C)n1)C1CC[NH2+]CC1 ZINC000214147479 652357380 /nfs/dbraw/zinc/35/73/80/652357380.db2.gz PKVCPYNFMINUMF-UHFFFAOYSA-N 2 1 277.412 2.363 20 0 CEADMP CCC[N@@H+](Cc1cc(OC)cc(C)n1)C1CC[NH2+]CC1 ZINC000214147479 652357385 /nfs/dbraw/zinc/35/73/85/652357385.db2.gz PKVCPYNFMINUMF-UHFFFAOYSA-N 2 1 277.412 2.363 20 0 CEADMP CCCN(Cc1cc(OC)cc(C)[nH+]1)C1CC[NH2+]CC1 ZINC000214147479 652357387 /nfs/dbraw/zinc/35/73/87/652357387.db2.gz PKVCPYNFMINUMF-UHFFFAOYSA-N 2 1 277.412 2.363 20 0 CEADMP C=C/C=C/CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000883268148 652418533 /nfs/dbraw/zinc/41/85/33/652418533.db2.gz DELWNAFZOOZARA-CWDCEQMOSA-N 2 1 264.413 2.352 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccc2ccccc2c1 ZINC000883442910 652471358 /nfs/dbraw/zinc/47/13/58/652471358.db2.gz VVRDPFAFXCHMDQ-HZPDHXFCSA-N 2 1 297.402 2.494 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)NC1CCC([NH3+])CC1)c1ccccc1 ZINC000131865517 652474539 /nfs/dbraw/zinc/47/45/39/652474539.db2.gz ILYWEORKWIWDQD-GPANFISMSA-N 2 1 289.423 2.066 20 0 CEADMP CCO[C@H](C[N@@H+](C)C1(C[NH3+])CCCCC1)C1CC1 ZINC000883455206 652475938 /nfs/dbraw/zinc/47/59/38/652475938.db2.gz XEELHWXLMYSPDB-CQSZACIVSA-N 2 1 254.418 2.395 20 0 CEADMP c1ccc2c(c1)C[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCCN21 ZINC000883461884 652477919 /nfs/dbraw/zinc/47/79/19/652477919.db2.gz FSKNDEVBCIJUMA-WBVHZDCISA-N 2 1 285.435 2.471 20 0 CEADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000884204283 652751421 /nfs/dbraw/zinc/75/14/21/652751421.db2.gz RSQYHEKJFFPXJQ-HUUCEWRRSA-N 2 1 297.487 2.233 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)C1 ZINC000884219519 652755962 /nfs/dbraw/zinc/75/59/62/652755962.db2.gz RAKBJHVTSOFPQA-CABCVRRESA-N 2 1 297.487 2.090 20 0 CEADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000884227859 652758737 /nfs/dbraw/zinc/75/87/37/652758737.db2.gz ZOJCGGVXKMLYET-LSDHHAIUSA-N 2 1 297.487 2.329 20 0 CEADMP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000884407643 652837554 /nfs/dbraw/zinc/83/75/54/652837554.db2.gz IQPGYLWTPFGHAG-ZBFHGGJFSA-N 2 1 295.471 2.144 20 0 CEADMP Cc1[nH+]c(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc2[nH]ccc21 ZINC001164637671 719227609 /nfs/dbraw/zinc/22/76/09/719227609.db2.gz MGZGXKLUGGEVBL-MNOVXSKESA-N 2 1 258.369 2.400 20 0 CEADMP C[NH2+][C@@]12CC[C@@](NC(=O)C[N@@H+](C)C3CCCC3)(C1)CCC2 ZINC001271074905 805734504 /nfs/dbraw/zinc/73/45/04/805734504.db2.gz GEJNQJQRNVQHOD-DLBZAZTESA-N 2 1 293.455 2.042 20 0 CEADMP CCCCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168029801 805822537 /nfs/dbraw/zinc/82/25/37/805822537.db2.gz KBEUFYWZZMQLEL-HOTGVXAUSA-N 2 1 295.471 2.289 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001029758988 806063284 /nfs/dbraw/zinc/06/32/84/806063284.db2.gz ILXYIEDGBVTQHM-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001029758988 806063294 /nfs/dbraw/zinc/06/32/94/806063294.db2.gz ILXYIEDGBVTQHM-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001029758988 806063305 /nfs/dbraw/zinc/06/33/05/806063305.db2.gz ILXYIEDGBVTQHM-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168145997 806302791 /nfs/dbraw/zinc/30/27/91/806302791.db2.gz DBGOCILQDHYKLS-HNNXBMFYSA-N 2 1 295.471 2.004 20 0 CEADMP CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203427488 806354624 /nfs/dbraw/zinc/35/46/24/806354624.db2.gz UJEREQWKQWVGGA-ZIAGYGMSSA-N 2 1 295.471 2.001 20 0 CEADMP CC1CCC([N@H+](CCC[NH3+])CCC[NH+](C)C)CC1 ZINC001168199269 806404122 /nfs/dbraw/zinc/40/41/22/806404122.db2.gz LBNSPQMQRUENDL-UHFFFAOYSA-N 3 1 255.450 2.168 20 0 CEADMP CC1CCC([N@@H+](CCC[NH3+])CCC[NH+](C)C)CC1 ZINC001168199269 806404124 /nfs/dbraw/zinc/40/41/24/806404124.db2.gz LBNSPQMQRUENDL-UHFFFAOYSA-N 3 1 255.450 2.168 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)C2 ZINC001168259114 806449827 /nfs/dbraw/zinc/44/98/27/806449827.db2.gz JJNZDDKSBWUDQE-SRCQZFHVSA-N 2 1 274.408 2.092 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C2 ZINC001168259114 806449834 /nfs/dbraw/zinc/44/98/34/806449834.db2.gz JJNZDDKSBWUDQE-SRCQZFHVSA-N 2 1 274.408 2.092 20 0 CEADMP COC(=O)C1([NH2+]C2CCC([NH+](C)C)CC2)CCCCC1 ZINC001168295250 806632455 /nfs/dbraw/zinc/63/24/55/806632455.db2.gz YTYNDWCEYBUQHX-UHFFFAOYSA-N 2 1 282.428 2.325 20 0 CEADMP CCOC(=O)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H](C)CC ZINC001168298222 806634719 /nfs/dbraw/zinc/63/47/19/806634719.db2.gz GHHNWNOZAJFPAR-PPWQZUPISA-N 2 1 284.444 2.427 20 0 CEADMP COC(=O)C[N@@H+](C1CCCC1)C1CCC([NH+](C)C)CC1 ZINC001168326953 806655939 /nfs/dbraw/zinc/65/59/39/806655939.db2.gz GDZHWIRTZITXQQ-UHFFFAOYSA-N 2 1 282.428 2.277 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC001168328162 806657938 /nfs/dbraw/zinc/65/79/38/806657938.db2.gz YARGSEXNPVGATM-JXQTWKCFSA-N 2 1 254.418 2.095 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2Cc3ncsc3C2)CC1 ZINC001168329482 806658173 /nfs/dbraw/zinc/65/81/73/806658173.db2.gz VQINIOKZQALTJT-UHFFFAOYSA-N 2 1 251.399 2.332 20 0 CEADMP C[NH+](C)C1CCC([N@@H+]2Cc3ncsc3C2)CC1 ZINC001168329482 806658176 /nfs/dbraw/zinc/65/81/76/806658176.db2.gz VQINIOKZQALTJT-UHFFFAOYSA-N 2 1 251.399 2.332 20 0 CEADMP C[C@@H](O)[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000348391331 806964142 /nfs/dbraw/zinc/96/41/42/806964142.db2.gz IEHRJUHGXSLWAY-LSDHHAIUSA-N 2 1 276.424 2.052 20 0 CEADMP CS[C@@H](C)CC[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001208147970 802358138 /nfs/dbraw/zinc/35/81/38/802358138.db2.gz KYOHWMYMUIWASA-HNNXBMFYSA-N 2 1 299.528 2.087 20 0 CEADMP C[C@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)CCC[C@@H]1O ZINC001208184545 802378109 /nfs/dbraw/zinc/37/81/09/802378109.db2.gz NBURNGLFHYEMAO-GJZGRUSLSA-N 2 1 268.445 2.201 20 0 CEADMP C[C@@H]1CC[C@@H](N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[NH2+]1 ZINC000705663013 802506247 /nfs/dbraw/zinc/50/62/47/802506247.db2.gz QLVJKWXLJPKSQV-OQIJWPOYSA-N 2 1 299.462 2.191 20 0 CEADMP C[C@@H]1CCC[N@H+]1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397520458 802646131 /nfs/dbraw/zinc/64/61/31/802646131.db2.gz FHLBFQXXBWSKCA-MRXNPFEDSA-N 2 1 288.435 2.498 20 0 CEADMP O[C@@H](C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)CC(F)(F)F ZINC000710282973 809986557 /nfs/dbraw/zinc/98/65/57/809986557.db2.gz SOEPWMPXTLOKBU-CHWSQXEVSA-N 2 1 294.361 2.011 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CC(=O)Nc1ccccc1 ZINC000710804658 809994455 /nfs/dbraw/zinc/99/44/55/809994455.db2.gz NZUUOURHBHYMGM-UHFFFAOYSA-N 2 1 263.385 2.076 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001210790479 802734818 /nfs/dbraw/zinc/73/48/18/802734818.db2.gz XUASFRACHLDZRR-MRXNPFEDSA-N 2 1 295.471 2.265 20 0 CEADMP C[C@@H]1C[C@H](n2cncc2CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398088250 802790815 /nfs/dbraw/zinc/79/08/15/802790815.db2.gz INPKTUDXJGLXSW-PBHICJAKSA-N 2 1 284.407 2.220 20 0 CEADMP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001266695053 802847288 /nfs/dbraw/zinc/84/72/88/802847288.db2.gz JHPSVXDJENGYTP-BECQNTKZSA-N 2 1 293.455 2.064 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000723691742 802924841 /nfs/dbraw/zinc/92/48/41/802924841.db2.gz STCCOXGFLMTDMO-VIFPVBQESA-N 2 1 258.287 2.275 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1CC[NH3+] ZINC000723894265 802965561 /nfs/dbraw/zinc/96/55/61/802965561.db2.gz KWGXKBBFLSRGKZ-CHWSQXEVSA-N 2 1 266.360 2.121 20 0 CEADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1CCC(C)(C)C ZINC001132278505 812820904 /nfs/dbraw/zinc/82/09/04/812820904.db2.gz POXNATFGSNDAKN-LSDHHAIUSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1CCC(C)(C)C ZINC001132278503 812821539 /nfs/dbraw/zinc/82/15/39/812821539.db2.gz POXNATFGSNDAKN-HUUCEWRRSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1CC1 ZINC001132436157 812852725 /nfs/dbraw/zinc/85/27/25/812852725.db2.gz JFDYDLQPCWQPKV-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCOC(=O)C1(C)CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207285368 803131713 /nfs/dbraw/zinc/13/17/13/803131713.db2.gz IIBZCHRTBCRHRN-UHFFFAOYSA-N 2 1 284.444 2.239 20 0 CEADMP CC[C@H](C(=O)NCCC[C@H]1CCC[N@H+]1CC1CC1)[NH+](C)C ZINC001267169537 803190471 /nfs/dbraw/zinc/19/04/71/803190471.db2.gz REKVNHHJIZDXIR-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C/C=C\Cl)[C@@H](C)C1 ZINC000588560090 803230025 /nfs/dbraw/zinc/23/00/25/803230025.db2.gz LLRBXRUJCNSOLT-KUTPXYQMSA-N 2 1 274.836 2.466 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C\Cl)[C@@H](C)C1 ZINC000588560090 803230026 /nfs/dbraw/zinc/23/00/26/803230026.db2.gz LLRBXRUJCNSOLT-KUTPXYQMSA-N 2 1 274.836 2.466 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)ccn1 ZINC000693753407 803268306 /nfs/dbraw/zinc/26/83/06/803268306.db2.gz BCQLEGIZFIEEDP-QLFBSQMISA-N 2 1 259.397 2.256 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721534801 803313829 /nfs/dbraw/zinc/31/38/29/803313829.db2.gz XURNVPYMFIASIZ-KBPBESRZSA-N 2 1 265.401 2.375 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001267281682 803327375 /nfs/dbraw/zinc/32/73/75/803327375.db2.gz OULGUUHAIMMWBL-MRXNPFEDSA-N 2 1 295.471 2.265 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721555415 803332729 /nfs/dbraw/zinc/33/27/29/803332729.db2.gz MLIHLIZBTKHQHI-TZMCWYRMSA-N 2 1 265.401 2.146 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001267594266 803580687 /nfs/dbraw/zinc/58/06/87/803580687.db2.gz BYJLNKMLUGHNQY-INIZCTEOSA-N 2 1 295.471 2.123 20 0 CEADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001267594266 803580690 /nfs/dbraw/zinc/58/06/90/803580690.db2.gz BYJLNKMLUGHNQY-INIZCTEOSA-N 2 1 295.471 2.123 20 0 CEADMP CC[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001267594266 803580693 /nfs/dbraw/zinc/58/06/93/803580693.db2.gz BYJLNKMLUGHNQY-INIZCTEOSA-N 2 1 295.471 2.123 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715394658 814953371 /nfs/dbraw/zinc/95/33/71/814953371.db2.gz OWTUDBOQOSKVKZ-KGLIPLIRSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715394658 814953376 /nfs/dbraw/zinc/95/33/76/814953376.db2.gz OWTUDBOQOSKVKZ-KGLIPLIRSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715478719 814958554 /nfs/dbraw/zinc/95/85/54/814958554.db2.gz FCTMPUZYLWEPRJ-CYUUQNCZSA-N 2 1 252.402 2.146 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715478719 814958557 /nfs/dbraw/zinc/95/85/57/814958557.db2.gz FCTMPUZYLWEPRJ-CYUUQNCZSA-N 2 1 252.402 2.146 20 0 CEADMP CCCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267788877 803734951 /nfs/dbraw/zinc/73/49/51/803734951.db2.gz ARNQPCHUMYUXIU-HOTGVXAUSA-N 2 1 297.487 2.440 20 0 CEADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC1=CCCCC1 ZINC001267800496 803742339 /nfs/dbraw/zinc/74/23/39/803742339.db2.gz OXKOBLWXMDRNTQ-HOTGVXAUSA-N 2 1 293.455 2.065 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000715518309 814971488 /nfs/dbraw/zinc/97/14/88/814971488.db2.gz JSWQACMVJWAJII-RRFJBIMHSA-N 2 1 252.402 2.147 20 0 CEADMP C[NH+](C)C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000715550597 814971522 /nfs/dbraw/zinc/97/15/22/814971522.db2.gz BONBYGYSCDLNRN-SVFSVNPNSA-N 3 1 265.445 2.074 20 0 CEADMP CN1[C@@H]2CC[C@H]1CC([NH2+]C1CCC([NH+](C)C)CC1)C2 ZINC000715550597 814971527 /nfs/dbraw/zinc/97/15/27/814971527.db2.gz BONBYGYSCDLNRN-SVFSVNPNSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@H]1C[C@H](N2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000709447593 803865496 /nfs/dbraw/zinc/86/54/96/803865496.db2.gz HZVPHDQWPHPZJV-FUHWJXTLSA-N 2 1 287.451 2.335 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000299928711 803922544 /nfs/dbraw/zinc/92/25/44/803922544.db2.gz JXCXTJGJXWFDKT-HIFRSBDPSA-N 2 1 259.397 2.389 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000299928711 803922552 /nfs/dbraw/zinc/92/25/52/803922552.db2.gz JXCXTJGJXWFDKT-HIFRSBDPSA-N 2 1 259.397 2.389 20 0 CEADMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]CCC(C)(C)C ZINC001268015651 803939096 /nfs/dbraw/zinc/93/90/96/803939096.db2.gz QJWIUVJCMOXMTP-CQSZACIVSA-N 2 1 285.476 2.105 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)sn1 ZINC000715551833 814979398 /nfs/dbraw/zinc/97/93/98/814979398.db2.gz KICCLKZDIRJVSW-NWDGAFQWSA-N 2 1 253.415 2.414 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1CC(=O)OC ZINC000230721731 804039353 /nfs/dbraw/zinc/03/93/53/804039353.db2.gz UGUAODYNLQTBNA-UHFFFAOYSA-N 2 1 292.423 2.176 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1CC(=O)OC ZINC000230721731 804039358 /nfs/dbraw/zinc/03/93/58/804039358.db2.gz UGUAODYNLQTBNA-UHFFFAOYSA-N 2 1 292.423 2.176 20 0 CEADMP Cc1[nH+]c(N)ccc1CNc1ccc(C[NH+](C)C)cn1 ZINC001167785657 804155498 /nfs/dbraw/zinc/15/54/98/804155498.db2.gz XTQWEXIFMIQJGS-UHFFFAOYSA-N 2 1 271.368 2.041 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000399274837 804357929 /nfs/dbraw/zinc/35/79/29/804357929.db2.gz VNQYHKTXUUYETP-UWVGGRQHSA-N 2 1 251.201 2.241 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCOC2(CCOCC2)C1 ZINC001167837168 804431402 /nfs/dbraw/zinc/43/14/02/804431402.db2.gz IVPNEXUKOLRADD-MRXNPFEDSA-N 2 1 298.471 2.378 20 0 CEADMP CC(=O)Nc1cc(C)c(C)cc1NC(=[NH2+])SCC[NH3+] ZINC001167912181 804695270 /nfs/dbraw/zinc/69/52/70/804695270.db2.gz LMRRDXNKLUZHGQ-UHFFFAOYSA-N 2 1 280.397 2.300 20 0 CEADMP C[N@H+]1CCCC[C@@H]1c1ccc(NC(=N)SCC[NH3+])nc1 ZINC001167914691 804698635 /nfs/dbraw/zinc/69/86/35/804698635.db2.gz ZBZOJMJTUWVLQO-GFCCVEGCSA-N 2 1 293.440 2.277 20 0 CEADMP COc1ccc(CC[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000165318045 807053947 /nfs/dbraw/zinc/05/39/47/807053947.db2.gz PMSCBVZFXAATKB-DZGCQCFKSA-N 2 1 262.397 2.154 20 0 CEADMP CCCCC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001269269143 805106417 /nfs/dbraw/zinc/10/64/17/805106417.db2.gz UGYCTUQNFJQXPC-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC(C)(C)C ZINC001038409046 805280493 /nfs/dbraw/zinc/28/04/93/805280493.db2.gz MFTUSPKCAFZTTG-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC(C)(C)C ZINC001038409046 805280503 /nfs/dbraw/zinc/28/05/03/805280503.db2.gz MFTUSPKCAFZTTG-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038409046 805280510 /nfs/dbraw/zinc/28/05/10/805280510.db2.gz MFTUSPKCAFZTTG-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001038409046 805280518 /nfs/dbraw/zinc/28/05/18/805280518.db2.gz MFTUSPKCAFZTTG-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH3+])c1nccn1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958719 805292748 /nfs/dbraw/zinc/29/27/48/805292748.db2.gz JFWJRXPDYDBZQI-YXQSOJMXSA-N 2 1 274.412 2.481 20 0 CEADMP C[NH+](C)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959033 805298161 /nfs/dbraw/zinc/29/81/61/805298161.db2.gz NILWYAJAZMBRTO-ALOPSCKCSA-N 3 1 279.472 2.323 20 0 CEADMP CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001270421762 805433805 /nfs/dbraw/zinc/43/38/05/805433805.db2.gz HYEFSXHUUQFYJL-CVEARBPZSA-N 2 1 295.471 2.145 20 0 CEADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCCOC1)C2 ZINC001167963691 805441055 /nfs/dbraw/zinc/44/10/55/805441055.db2.gz BEEIAVRNPSOYIZ-HNSVSWJLSA-N 2 1 264.413 2.160 20 0 CEADMP CC[NH2+][C@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001029107676 805538554 /nfs/dbraw/zinc/53/85/54/805538554.db2.gz CVBVHQXRVMQICU-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001029144119 805558061 /nfs/dbraw/zinc/55/80/61/805558061.db2.gz BICFBWPKUIVDOT-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168394750 807072235 /nfs/dbraw/zinc/07/22/35/807072235.db2.gz FZDHHKUCXWHQGX-HNNXBMFYSA-N 2 1 294.439 2.136 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2cc(F)ccc2C1 ZINC001168415079 807244555 /nfs/dbraw/zinc/24/45/55/807244555.db2.gz LVPSVFCFMVZORH-ABAIWWIYSA-N 2 1 250.361 2.210 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1C ZINC001088970861 807299324 /nfs/dbraw/zinc/29/93/24/807299324.db2.gz QUKBJPLOAJBTGZ-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1C ZINC001088970861 807299329 /nfs/dbraw/zinc/29/93/29/807299329.db2.gz QUKBJPLOAJBTGZ-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001089252563 807465674 /nfs/dbraw/zinc/46/56/74/807465674.db2.gz QTNUBSHAZKQFEJ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001089252563 807465678 /nfs/dbraw/zinc/46/56/78/807465678.db2.gz QTNUBSHAZKQFEJ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001089252563 807465683 /nfs/dbraw/zinc/46/56/83/807465683.db2.gz QTNUBSHAZKQFEJ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(C)(C)O)CC1 ZINC000716404715 815121941 /nfs/dbraw/zinc/12/19/41/815121941.db2.gz CEPHDZHEECBNIG-UHFFFAOYSA-N 2 1 265.401 2.065 20 0 CEADMP CCCCCC[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001272476251 807518789 /nfs/dbraw/zinc/51/87/89/807518789.db2.gz LCBHWQKQTGJJNE-KRWDZBQOSA-N 2 1 295.471 2.195 20 0 CEADMP Cn1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c2ccccc21 ZINC001205094177 807576878 /nfs/dbraw/zinc/57/68/78/807576878.db2.gz JYZJUNODKHEVME-CQSZACIVSA-N 2 1 257.381 2.492 20 0 CEADMP COc1cccc(CCC[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205094984 807584772 /nfs/dbraw/zinc/58/47/72/807584772.db2.gz SJVXLAXGFIOQRD-OAHLLOKOSA-N 2 1 262.397 2.441 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205101878 807635459 /nfs/dbraw/zinc/63/54/59/807635459.db2.gz MYUPIDXYKUMJAJ-LBPRGKRZSA-N 2 1 250.390 2.020 20 0 CEADMP CC[C@H](C)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OC ZINC000715183962 807647984 /nfs/dbraw/zinc/64/79/84/807647984.db2.gz CCMLNHIKSQAKLW-ABXWRUBCSA-N 2 1 270.417 2.037 20 0 CEADMP CN1CC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716638439 815137251 /nfs/dbraw/zinc/13/72/51/815137251.db2.gz OXCUPKQUOLXWSS-RDGPPVDQSA-N 2 1 299.462 2.333 20 0 CEADMP C[N@@H+]1CC[C@@H](N[C@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)C1 ZINC000716638439 815137252 /nfs/dbraw/zinc/13/72/52/815137252.db2.gz OXCUPKQUOLXWSS-RDGPPVDQSA-N 2 1 299.462 2.333 20 0 CEADMP C[N@H+]1CC[C@@H](N[C@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)C1 ZINC000716638439 815137254 /nfs/dbraw/zinc/13/72/54/815137254.db2.gz OXCUPKQUOLXWSS-RDGPPVDQSA-N 2 1 299.462 2.333 20 0 CEADMP C[NH+]1CC[C@@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716638439 815137256 /nfs/dbraw/zinc/13/72/56/815137256.db2.gz OXCUPKQUOLXWSS-RDGPPVDQSA-N 2 1 299.462 2.333 20 0 CEADMP C[NH+]1CC[C@@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716638439 815137258 /nfs/dbraw/zinc/13/72/58/815137258.db2.gz OXCUPKQUOLXWSS-RDGPPVDQSA-N 2 1 299.462 2.333 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC001168470483 807677385 /nfs/dbraw/zinc/67/73/85/807677385.db2.gz YUVQYXRTMVKTSQ-CQSZACIVSA-N 2 1 294.414 2.457 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000716604183 815143546 /nfs/dbraw/zinc/14/35/46/815143546.db2.gz XBIBOZXDRSCIHC-BFHYXJOUSA-N 2 1 252.402 2.066 20 0 CEADMP CC(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235391324 807825192 /nfs/dbraw/zinc/82/51/92/807825192.db2.gz FMBUABMSOHQODB-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235391324 807825199 /nfs/dbraw/zinc/82/51/99/807825199.db2.gz FMBUABMSOHQODB-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCC[C@H](CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC001119699806 815151349 /nfs/dbraw/zinc/15/13/49/815151349.db2.gz ZGRAFLWDAJKBPJ-QLFBSQMISA-N 2 1 267.461 2.214 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC001119699806 815151352 /nfs/dbraw/zinc/15/13/52/815151352.db2.gz ZGRAFLWDAJKBPJ-QLFBSQMISA-N 3 1 267.461 2.214 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC001119699806 815151356 /nfs/dbraw/zinc/15/13/56/815151356.db2.gz ZGRAFLWDAJKBPJ-QLFBSQMISA-N 3 1 267.461 2.214 20 0 CEADMP CCC(CC)C[NH+]1CC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001031432039 807955306 /nfs/dbraw/zinc/95/53/06/807955306.db2.gz WQUSEWXEGCTJER-OKILXGFUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](CC)C[C@@H](C)NCc1ncc(C[NH+](C)C)s1 ZINC000352751355 808023568 /nfs/dbraw/zinc/02/35/68/808023568.db2.gz ULKDILFUTGSVSN-GFCCVEGCSA-N 2 1 284.473 2.025 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@@]2(C)Br)C1 ZINC001120025588 815189468 /nfs/dbraw/zinc/18/94/68/815189468.db2.gz FIHZYFLAVZBCJC-FRRDWIJNSA-N 2 1 289.261 2.481 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCCOCC2)CC1(C)C ZINC001171628545 815200802 /nfs/dbraw/zinc/20/08/02/815200802.db2.gz AIXKRVQZYFFERH-UHFFFAOYSA-N 2 1 254.418 2.360 20 0 CEADMP CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCCCC1 ZINC001120141064 815200878 /nfs/dbraw/zinc/20/08/78/815200878.db2.gz RDMPNOJFWHIIQZ-UHFFFAOYSA-N 2 1 292.427 2.010 20 0 CEADMP C[NH+]1C(C)(C)CC([N@@H+]2C[C@@H](F)C[C@H]2CO)CC1(C)C ZINC001171631005 815202031 /nfs/dbraw/zinc/20/20/31/815202031.db2.gz CYQMGIJSJIHACV-RYUDHWBXSA-N 2 1 272.408 2.043 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H](F)C[C@H]2CO)CC1(C)C ZINC001171631005 815202032 /nfs/dbraw/zinc/20/20/32/815202032.db2.gz CYQMGIJSJIHACV-RYUDHWBXSA-N 2 1 272.408 2.043 20 0 CEADMP C[NH+]1C(C)(C)CC([NH2+]C2(C(N)=O)CCCC2)CC1(C)C ZINC001171620659 815205164 /nfs/dbraw/zinc/20/51/64/815205164.db2.gz CKQYZWANRBHLJG-UHFFFAOYSA-N 2 1 281.444 2.026 20 0 CEADMP CN([C@H]1CC[N@@H+](C)C1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639525 815213896 /nfs/dbraw/zinc/21/38/96/815213896.db2.gz NONPHODBYVSIQU-ZDUSSCGKSA-N 2 1 267.461 2.274 20 0 CEADMP CC(=O)N(C)[C@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641638 815215306 /nfs/dbraw/zinc/21/53/06/815215306.db2.gz RTMSMINDSMSXOQ-AWEZNQCLSA-N 2 1 295.471 2.190 20 0 CEADMP C[C@H](C[NH3+])CN(C)[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171733020 815220564 /nfs/dbraw/zinc/22/05/64/815220564.db2.gz HHQINLOIWYHYSL-HLLBOEOZSA-N 2 1 275.440 2.176 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001171762547 815226514 /nfs/dbraw/zinc/22/65/14/815226514.db2.gz FJMPEPMMOSEYOZ-UHFFFAOYSA-N 2 1 295.471 2.004 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@H]1Cc2cccc(F)c2C1 ZINC001171773412 815230163 /nfs/dbraw/zinc/23/01/63/815230163.db2.gz KTYMCIXKWFCXNK-ZDUSSCGKSA-N 2 1 250.361 2.354 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171776982 815230879 /nfs/dbraw/zinc/23/08/79/815230879.db2.gz FTEILCLIISBKTI-UONOGXRCSA-N 2 1 262.372 2.367 20 0 CEADMP CCOC(=O)C1(C)CCC(n2c(C)c[nH+]c2CC[NH3+])CC1 ZINC001171935820 815255790 /nfs/dbraw/zinc/25/57/90/815255790.db2.gz MGRSISLLPPRYSQ-UHFFFAOYSA-N 2 1 293.411 2.377 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000453214274 809041978 /nfs/dbraw/zinc/04/19/78/809041978.db2.gz JMYMZOVHWRFRLH-MCIONIFRSA-N 2 1 254.418 2.264 20 0 CEADMP COc1cncc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000700051549 809275787 /nfs/dbraw/zinc/27/57/87/809275787.db2.gz XUDFOPLVVDKAOA-CQSZACIVSA-N 2 1 277.412 2.444 20 0 CEADMP COc1cncc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000700051549 809275790 /nfs/dbraw/zinc/27/57/90/809275790.db2.gz XUDFOPLVVDKAOA-CQSZACIVSA-N 2 1 277.412 2.444 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnccc2C(F)(F)F)C12CCC2 ZINC000700806731 809354428 /nfs/dbraw/zinc/35/44/28/809354428.db2.gz CZXQCHKYJJNOPR-RYUDHWBXSA-N 2 1 285.313 2.460 20 0 CEADMP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700807346 809354928 /nfs/dbraw/zinc/35/49/28/809354928.db2.gz BHVSUBQLBAVTHG-KFWWJZLASA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172099532 815282598 /nfs/dbraw/zinc/28/25/98/815282598.db2.gz JHHOZMWUCNHKFV-JONQDZQNSA-N 2 1 265.445 2.076 20 0 CEADMP CC[NH+]1CCC[C@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099532 815282601 /nfs/dbraw/zinc/28/26/01/815282601.db2.gz JHHOZMWUCNHKFV-JONQDZQNSA-N 2 1 265.445 2.076 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccccn1)C2 ZINC001172100594 815283916 /nfs/dbraw/zinc/28/39/16/815283916.db2.gz QGIWFRZCNCMGCX-PHZGNYQRSA-N 2 1 259.397 2.229 20 0 CEADMP CC[N@H+](CCn1cccn1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127059 815286870 /nfs/dbraw/zinc/28/68/70/815286870.db2.gz GCMOBAAWMVDWAC-ZSHCYNCHSA-N 2 1 276.428 2.220 20 0 CEADMP CC[N@@H+](CCn1cccn1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127059 815286875 /nfs/dbraw/zinc/28/68/75/815286875.db2.gz GCMOBAAWMVDWAC-ZSHCYNCHSA-N 2 1 276.428 2.220 20 0 CEADMP CC[NH+](CCn1cccn1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127059 815286877 /nfs/dbraw/zinc/28/68/77/815286877.db2.gz GCMOBAAWMVDWAC-ZSHCYNCHSA-N 2 1 276.428 2.220 20 0 CEADMP CC[NH+](CCn1cccn1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127059 815286882 /nfs/dbraw/zinc/28/68/82/815286882.db2.gz GCMOBAAWMVDWAC-ZSHCYNCHSA-N 2 1 276.428 2.220 20 0 CEADMP C[C@]12CN(C[C@H]3CC[NH2+]C3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702054706 809490586 /nfs/dbraw/zinc/49/05/86/809490586.db2.gz ZLLJEOYIJCONPW-OTWHNJEPSA-N 2 1 299.462 2.050 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC(=O)NC1CCCC1)C2 ZINC001172103125 815293632 /nfs/dbraw/zinc/29/36/32/815293632.db2.gz SFEHNTVSTNWLEM-MUJYYYPQSA-N 2 1 293.455 2.040 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C(N)=O)CCCCCC1)C2 ZINC001172103175 815294053 /nfs/dbraw/zinc/29/40/53/815294053.db2.gz UCLHMSQZUHCFSK-QDMKHBRRSA-N 2 1 293.455 2.170 20 0 CEADMP COC[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172109346 815297860 /nfs/dbraw/zinc/29/78/60/815297860.db2.gz CQMHNXNMUCXCQJ-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172109346 815297864 /nfs/dbraw/zinc/29/78/64/815297864.db2.gz CQMHNXNMUCXCQJ-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172109346 815297868 /nfs/dbraw/zinc/29/78/68/815297868.db2.gz CQMHNXNMUCXCQJ-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172109346 815297871 /nfs/dbraw/zinc/29/78/71/815297871.db2.gz CQMHNXNMUCXCQJ-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172109346 815297877 /nfs/dbraw/zinc/29/78/77/815297877.db2.gz CQMHNXNMUCXCQJ-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1c3ccccc3NC1=O)C2 ZINC001172111822 815299713 /nfs/dbraw/zinc/29/97/13/815299713.db2.gz WNOOZIMJVXZAON-HLPPOEQASA-N 2 1 299.418 2.327 20 0 CEADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1CO ZINC001172116905 815307159 /nfs/dbraw/zinc/30/71/59/815307159.db2.gz DSPAAGCDSXZOKZ-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP CC[NH+](CC)CCN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113510 815302445 /nfs/dbraw/zinc/30/24/45/815302445.db2.gz JAXPPFBJBXZIRD-MUJYYYPQSA-N 2 1 267.461 2.275 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCO[C@H]1CCCCO1)C2 ZINC001172113744 815303810 /nfs/dbraw/zinc/30/38/10/815303810.db2.gz JZLIJGOJANAUMN-JONQDZQNSA-N 2 1 282.428 2.135 20 0 CEADMP C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1CO ZINC001172116905 815307140 /nfs/dbraw/zinc/30/71/40/815307140.db2.gz DSPAAGCDSXZOKZ-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1CO ZINC001172116905 815307146 /nfs/dbraw/zinc/30/71/46/815307146.db2.gz DSPAAGCDSXZOKZ-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1CO ZINC001172116905 815307153 /nfs/dbraw/zinc/30/71/53/815307153.db2.gz DSPAAGCDSXZOKZ-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP CCOC(=O)[C@]12C[C@H]1CC[N@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172117397 815304908 /nfs/dbraw/zinc/30/49/08/815304908.db2.gz GSRDUENLEHMAKO-GAGVYUBLSA-N 2 1 292.423 2.029 20 0 CEADMP CCOC(=O)[C@]12C[C@H]1CC[NH+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172117397 815304914 /nfs/dbraw/zinc/30/49/14/815304914.db2.gz GSRDUENLEHMAKO-GAGVYUBLSA-N 2 1 292.423 2.029 20 0 CEADMP CCOC(=O)[C@]12C[C@H]1CC[NH+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172117397 815304919 /nfs/dbraw/zinc/30/49/19/815304919.db2.gz GSRDUENLEHMAKO-GAGVYUBLSA-N 2 1 292.423 2.029 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc3c(c1)CCC3)C2 ZINC000703568026 809668707 /nfs/dbraw/zinc/66/87/07/809668707.db2.gz MUHXKJKHRKHPKW-DLBZAZTESA-N 2 1 256.393 2.217 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@](C)(CO)c1ccccc1)C2 ZINC001172119403 815309073 /nfs/dbraw/zinc/30/90/73/815309073.db2.gz ZNDPOHLMMQHGKY-FJIDUMEYSA-N 2 1 288.435 2.499 20 0 CEADMP CSC[C@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703807707 809692969 /nfs/dbraw/zinc/69/29/69/809692969.db2.gz PWRYWOLZJYHYJF-WTUNAVPPSA-N 2 1 254.443 2.344 20 0 CEADMP FC(F)(F)C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000703808459 809692986 /nfs/dbraw/zinc/69/29/86/809692986.db2.gz GSJSOCWDOQPUKJ-WVMKXHBISA-N 2 1 292.345 2.170 20 0 CEADMP C[N@@H+](Cc1ncccc1Cl)C1CCC([NH3+])CC1 ZINC000703905889 809706756 /nfs/dbraw/zinc/70/67/56/809706756.db2.gz NHDPHPPYHXOUQD-UHFFFAOYSA-N 2 1 253.777 2.437 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@](C)(CO)c1ccccc1)C2 ZINC001172119405 815310741 /nfs/dbraw/zinc/31/07/41/815310741.db2.gz ZNDPOHLMMQHGKY-XMTFNYHQSA-N 2 1 288.435 2.499 20 0 CEADMP CN(CCC[NH+]1CCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172119770 815310798 /nfs/dbraw/zinc/31/07/98/815310798.db2.gz AIUQDCYMIULKAN-FVQHAEBGSA-N 2 1 279.472 2.419 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@](C)(CO)CC1)C2 ZINC001172121429 815312082 /nfs/dbraw/zinc/31/20/82/815312082.db2.gz QITLWAAIYLQTME-LTIDMASMSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@](C)(CO)CC1)C2 ZINC001172121429 815312091 /nfs/dbraw/zinc/31/20/91/815312091.db2.gz QITLWAAIYLQTME-LTIDMASMSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@](C)(CO)CC1)C2 ZINC001172121429 815312096 /nfs/dbraw/zinc/31/20/96/815312096.db2.gz QITLWAAIYLQTME-LTIDMASMSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@](C)(CO)CC1)C2 ZINC001172121429 815312104 /nfs/dbraw/zinc/31/21/04/815312104.db2.gz QITLWAAIYLQTME-LTIDMASMSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](CCCCCCC[NH3+])C[C@@H]1CCC[NH+](C)C1 ZINC000705149124 809770010 /nfs/dbraw/zinc/77/00/10/809770010.db2.gz WIDZIIRXOKDVCW-HNNXBMFYSA-N 3 1 255.450 2.169 20 0 CEADMP C[NH+](CCCCCCC[NH3+])C[C@@H]1CCC[N@H+](C)C1 ZINC000705149124 809770013 /nfs/dbraw/zinc/77/00/13/809770013.db2.gz WIDZIIRXOKDVCW-HNNXBMFYSA-N 3 1 255.450 2.169 20 0 CEADMP C[NH+](CCCCCCC[NH3+])C[C@@H]1CCC[N@@H+](C)C1 ZINC000705149124 809770016 /nfs/dbraw/zinc/77/00/16/809770016.db2.gz WIDZIIRXOKDVCW-HNNXBMFYSA-N 3 1 255.450 2.169 20 0 CEADMP CN1CCC[C@@H](C[N@H+](C)CCCCCCC[NH3+])C1 ZINC000705149124 809770020 /nfs/dbraw/zinc/77/00/20/809770020.db2.gz WIDZIIRXOKDVCW-HNNXBMFYSA-N 2 1 255.450 2.169 20 0 CEADMP CN1CCC[C@@H](C[N@@H+](C)CCCCCCC[NH3+])C1 ZINC000705149124 809770021 /nfs/dbraw/zinc/77/00/21/809770021.db2.gz WIDZIIRXOKDVCW-HNNXBMFYSA-N 2 1 255.450 2.169 20 0 CEADMP CC(C)[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001036556862 809921520 /nfs/dbraw/zinc/92/15/20/809921520.db2.gz SUJQKYOKKSXCQA-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708850041 809937071 /nfs/dbraw/zinc/93/70/71/809937071.db2.gz NCIPBZRUMSPNLR-DLBZAZTESA-N 2 1 280.456 2.345 20 0 CEADMP CCC[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000708878001 809937595 /nfs/dbraw/zinc/93/75/95/809937595.db2.gz AHNNSJOUHMMTKF-DKUMPPAJSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C(C)(C)O1 ZINC000709702349 809953985 /nfs/dbraw/zinc/95/39/85/809953985.db2.gz MWYVTMXYRQXGSQ-CZUORRHYSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710940815 810006102 /nfs/dbraw/zinc/00/61/02/810006102.db2.gz QWDWVEVCNVYRDA-UHFFFAOYSA-N 2 1 299.459 2.173 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710942187 810006723 /nfs/dbraw/zinc/00/67/23/810006723.db2.gz UMTPHCRCQKRGJU-CYBMUJFWSA-N 2 1 299.459 2.173 20 0 CEADMP C1CC([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]2CCOC2)C1 ZINC000711838213 810097723 /nfs/dbraw/zinc/09/77/23/810097723.db2.gz ZPHLRHDCICYFPG-YVSFHVDLSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H]1C[N@H+](Cc2nc(-c3cccs3)no2)CC[C@H]1C[NH3+] ZINC000923503673 810105356 /nfs/dbraw/zinc/10/53/56/810105356.db2.gz KSRJONOHFGNMKH-QWRGUYRKSA-N 2 1 292.408 2.215 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nc(-c3cccs3)no2)CC[C@H]1C[NH3+] ZINC000923503673 810105361 /nfs/dbraw/zinc/10/53/61/810105361.db2.gz KSRJONOHFGNMKH-QWRGUYRKSA-N 2 1 292.408 2.215 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)[C@@H](C)C1 ZINC001172226449 815341179 /nfs/dbraw/zinc/34/11/79/815341179.db2.gz ZYUJNEVPOWWAPJ-NIOBXDJOSA-N 2 1 266.429 2.405 20 0 CEADMP CCCC[N@@H+](C)CCCNC1CC[NH+](CCCOC)CC1 ZINC001172244794 815357326 /nfs/dbraw/zinc/35/73/26/815357326.db2.gz YXQVAHPNMBVKPT-UHFFFAOYSA-N 2 1 299.503 2.199 20 0 CEADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3ncccc32)CC1 ZINC001172247413 815359179 /nfs/dbraw/zinc/35/91/79/815359179.db2.gz JMUAEFUZJIPFAW-QGZVFWFLSA-N 2 1 289.423 2.159 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCC(F)(F)[C@H](C)C2)CC1 ZINC001172252802 815361537 /nfs/dbraw/zinc/36/15/37/815361537.db2.gz VKYDRJVWVHRUEX-CYBMUJFWSA-N 2 1 290.398 2.464 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCC(F)(F)[C@H](C)C2)CC1 ZINC001172252802 815361544 /nfs/dbraw/zinc/36/15/44/815361544.db2.gz VKYDRJVWVHRUEX-CYBMUJFWSA-N 2 1 290.398 2.464 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCC2OCCCO2)cc1 ZINC000823708495 810625448 /nfs/dbraw/zinc/62/54/48/810625448.db2.gz AWXGYGLSVOHSRS-UHFFFAOYSA-N 2 1 292.423 2.333 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000823765133 810627847 /nfs/dbraw/zinc/62/78/47/810627847.db2.gz XQPPMOLXWQCJKM-PBHICJAKSA-N 2 1 273.424 2.477 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2COC3(CCCCC3)O2)CCC[C@@H]1C[NH3+] ZINC001205985693 810776699 /nfs/dbraw/zinc/77/66/99/810776699.db2.gz ZVXVEVGEZNDLCZ-OAGGEKHMSA-N 2 1 296.455 2.369 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2COC3(CCCCC3)O2)CCC[C@H]1C[NH3+] ZINC001205985699 810780777 /nfs/dbraw/zinc/78/07/77/810780777.db2.gz ZVXVEVGEZNDLCZ-PMPSAXMXSA-N 2 1 296.455 2.369 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000721443887 810807197 /nfs/dbraw/zinc/80/71/97/810807197.db2.gz JJXQUVDDIDTSCL-QJPTWQEYSA-N 2 1 280.334 2.300 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000721443887 810807205 /nfs/dbraw/zinc/80/72/05/810807205.db2.gz JJXQUVDDIDTSCL-QJPTWQEYSA-N 2 1 280.334 2.300 20 0 CEADMP CC(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001085589609 810846658 /nfs/dbraw/zinc/84/66/58/810846658.db2.gz PMXNIUSIVKQWPP-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085589609 810846668 /nfs/dbraw/zinc/84/66/68/810846668.db2.gz PMXNIUSIVKQWPP-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085589609 810846675 /nfs/dbraw/zinc/84/66/75/810846675.db2.gz PMXNIUSIVKQWPP-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP COC[C@H](C[N@H+]1CC[NH2+]CCC12CCC2)C(C)C ZINC000721975752 810864191 /nfs/dbraw/zinc/86/41/91/810864191.db2.gz WJOWEGLSWPBKPV-AWEZNQCLSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085902811 810961901 /nfs/dbraw/zinc/96/19/01/810961901.db2.gz NHFYOPCCXJRUEL-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085902637 810962152 /nfs/dbraw/zinc/96/21/52/810962152.db2.gz INKYCFBHDDTLAI-INIZCTEOSA-N 2 1 295.471 2.048 20 0 CEADMP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)CC[N@H+]2C1 ZINC000723661376 811027000 /nfs/dbraw/zinc/02/70/00/811027000.db2.gz FLIVOTIIYIMRRX-FIDHJVLJSA-N 2 1 278.440 2.408 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129327852 811069062 /nfs/dbraw/zinc/06/90/62/811069062.db2.gz KJVHPUFUDPKCLL-MRXNPFEDSA-N 2 1 297.487 2.106 20 0 CEADMP CCOCC[C@H](C)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001172434079 815422313 /nfs/dbraw/zinc/42/23/13/815422313.db2.gz UWPUWKOQWMTJDG-HNNXBMFYSA-N 2 1 298.471 2.377 20 0 CEADMP CC(C)COCC[C@@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172468557 815428204 /nfs/dbraw/zinc/42/82/04/815428204.db2.gz OWQKBKKABAZOIS-BZUAXINKSA-N 2 1 298.471 2.408 20 0 CEADMP CC(C)COCC[C@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001172470220 815428927 /nfs/dbraw/zinc/42/89/27/815428927.db2.gz XRVRDGUPOWCCGA-ZDUSSCGKSA-N 2 1 253.390 2.398 20 0 CEADMP c1c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)sc2c1C[NH2+]CC2 ZINC000690346346 811219934 /nfs/dbraw/zinc/21/99/34/811219934.db2.gz MIVKZVYNNYEHFB-RISCZKNCSA-N 2 1 278.421 2.005 20 0 CEADMP C[N@H+]1CC[C@@H](c2ccc(-n3cc4c(n3)CC[C@@H]([NH3+])C4)cc2)C1 ZINC001168817483 811244644 /nfs/dbraw/zinc/24/46/44/811244644.db2.gz IHGJGSXISLDRMY-GDBMZVCRSA-N 2 1 296.418 2.107 20 0 CEADMP CC(C)COCC[C@@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172478479 815432437 /nfs/dbraw/zinc/43/24/37/815432437.db2.gz AQKITOKTYBWKDS-CQSZACIVSA-N 2 1 265.401 2.192 20 0 CEADMP CC(C)COCC[C@@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172478479 815432439 /nfs/dbraw/zinc/43/24/39/815432439.db2.gz AQKITOKTYBWKDS-CQSZACIVSA-N 2 1 265.401 2.192 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3nccnc23)CCC[C@@H]1C[NH3+] ZINC001205995550 811291063 /nfs/dbraw/zinc/29/10/63/811291063.db2.gz PADXJOALRNGYFA-UONOGXRCSA-N 2 1 284.407 2.437 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1C ZINC001205995901 811294702 /nfs/dbraw/zinc/29/47/02/811294702.db2.gz RQVBMVXSBHKBBA-SWLSCSKDSA-N 2 1 278.444 2.327 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CCO)c1ccccc1)C2 ZINC001169092743 811364853 /nfs/dbraw/zinc/36/48/53/811364853.db2.gz CMTGCDAWOKWOSI-YVSFHVDLSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)C2 ZINC001169098196 811368386 /nfs/dbraw/zinc/36/83/86/811368386.db2.gz GQWXKTLDCUMHQE-YIYPIFLZSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](CO)C1CCCCC1)C2 ZINC001169100083 811374782 /nfs/dbraw/zinc/37/47/82/811374782.db2.gz FXQULKGSOUHIKY-LVQVYYBASA-N 2 1 266.429 2.142 20 0 CEADMP Cc1cc(C)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(=O)[nH]1 ZINC001169078771 811376086 /nfs/dbraw/zinc/37/60/86/811376086.db2.gz GJKKEFOTFZSDDE-BTTYYORXSA-N 2 1 275.396 2.119 20 0 CEADMP Cc1cc(C)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(=O)[nH]1 ZINC001169078771 811376096 /nfs/dbraw/zinc/37/60/96/811376096.db2.gz GJKKEFOTFZSDDE-BTTYYORXSA-N 2 1 275.396 2.119 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(C3CCOCC3)CC1)C2 ZINC001169090217 811383023 /nfs/dbraw/zinc/38/30/23/811383023.db2.gz IUBFGEAYFYIBNT-QKDCVEJESA-N 2 1 264.413 2.160 20 0 CEADMP CC1CC[NH+](CCCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169092402 811384347 /nfs/dbraw/zinc/38/43/47/811384347.db2.gz BQOUXBVIWPYXSK-BJWYYQGGSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169092132 811384542 /nfs/dbraw/zinc/38/45/42/811384542.db2.gz YCODIFXITHVYJT-VQHPVUNQSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169092132 811384548 /nfs/dbraw/zinc/38/45/48/811384548.db2.gz YCODIFXITHVYJT-VQHPVUNQSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169092132 811384560 /nfs/dbraw/zinc/38/45/60/811384560.db2.gz YCODIFXITHVYJT-VQHPVUNQSA-N 2 1 279.472 2.466 20 0 CEADMP Cc1ncsc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125266 811392890 /nfs/dbraw/zinc/39/28/90/811392890.db2.gz XSCLMMSYGIBDGX-CLLJXQQHSA-N 2 1 265.426 2.209 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@]3(CCOC3)C1)C2 ZINC001169128335 811395205 /nfs/dbraw/zinc/39/52/05/811395205.db2.gz DBEXYJRCJNBAFT-JJXSEGSLSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@]3(CCOC3)C1)C2 ZINC001169128335 811395211 /nfs/dbraw/zinc/39/52/11/811395211.db2.gz DBEXYJRCJNBAFT-JJXSEGSLSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@]3(CCOC3)C1)C2 ZINC001169128335 811395218 /nfs/dbraw/zinc/39/52/18/811395218.db2.gz DBEXYJRCJNBAFT-JJXSEGSLSA-N 2 1 264.413 2.114 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(O)(C(F)(F)F)CC1)C2 ZINC001169126747 811397570 /nfs/dbraw/zinc/39/75/70/811397570.db2.gz XFQUFXBYEXHSEE-GDNZZTSVSA-N 2 1 292.345 2.001 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(O)(C(F)(F)F)CC1)C2 ZINC001169126747 811397581 /nfs/dbraw/zinc/39/75/81/811397581.db2.gz XFQUFXBYEXHSEE-GDNZZTSVSA-N 2 1 292.345 2.001 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H]3CCCO[C@H]3C1)C2 ZINC001169129910 811398917 /nfs/dbraw/zinc/39/89/17/811398917.db2.gz LQHMZBTUXZGFJC-RBZJEDDUSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]3CCCO[C@H]3C1)C2 ZINC001169129910 811398923 /nfs/dbraw/zinc/39/89/23/811398923.db2.gz LQHMZBTUXZGFJC-RBZJEDDUSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H]3CCCO[C@H]3C1)C2 ZINC001169129910 811398933 /nfs/dbraw/zinc/39/89/33/811398933.db2.gz LQHMZBTUXZGFJC-RBZJEDDUSA-N 2 1 264.413 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC(C)(C)N(O)C1(C)C)C2 ZINC001169108937 811403194 /nfs/dbraw/zinc/40/31/94/811403194.db2.gz WQVKOFKUYORMNZ-XJFOESAGSA-N 2 1 281.444 2.222 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169110191 811403387 /nfs/dbraw/zinc/40/33/87/811403387.db2.gz LKXUDZSAEIAYOH-BTTYYORXSA-N 2 1 282.428 2.181 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc3ccnn31)C2 ZINC001169108312 811403695 /nfs/dbraw/zinc/40/36/95/811403695.db2.gz QWUJMNMVBDQSNO-YOWGUQMCSA-N 2 1 270.380 2.049 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc3ccnn31)C2 ZINC001169108312 811403698 /nfs/dbraw/zinc/40/36/98/811403698.db2.gz QWUJMNMVBDQSNO-YOWGUQMCSA-N 2 1 270.380 2.049 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1C[C@@H](C[NH3+])c3ccccc31)C2 ZINC001169108991 811404436 /nfs/dbraw/zinc/40/44/36/811404436.db2.gz XSEYRHMQAWQVMA-APIJFGDWSA-N 2 1 271.408 2.174 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@]3(CC3(F)F)C1)C2 ZINC001169140786 811406448 /nfs/dbraw/zinc/40/64/48/811406448.db2.gz LZORVYQHNINVDC-RNJOBUHISA-N 2 1 256.340 2.343 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC001169140786 811406451 /nfs/dbraw/zinc/40/64/51/811406451.db2.gz LZORVYQHNINVDC-RNJOBUHISA-N 2 1 256.340 2.343 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC001169140786 811406454 /nfs/dbraw/zinc/40/64/54/811406454.db2.gz LZORVYQHNINVDC-RNJOBUHISA-N 2 1 256.340 2.343 20 0 CEADMP CN(C)c1nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc[nH+]1 ZINC001169140994 811407056 /nfs/dbraw/zinc/40/70/56/811407056.db2.gz IFGYHTCRYWLSGY-MLGOLLRUSA-N 2 1 291.443 2.498 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC([NH+]3CCC(F)(F)CC3)C1)C2 ZINC001169148696 811413071 /nfs/dbraw/zinc/41/30/71/811413071.db2.gz ZVRJPFHWHWVVRZ-WDNDVIMCSA-N 2 1 299.409 2.027 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC([NH+]3CCC(F)(F)CC3)C1)C2 ZINC001169148696 811413077 /nfs/dbraw/zinc/41/30/77/811413077.db2.gz ZVRJPFHWHWVVRZ-WDNDVIMCSA-N 2 1 299.409 2.027 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](COCC3CC3)C1)C2 ZINC001169155430 811416279 /nfs/dbraw/zinc/41/62/79/811416279.db2.gz PEXFPIWOCVHJAS-NXOAAHMSSA-N 2 1 278.440 2.360 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H](COCC3CC3)C1)C2 ZINC001169155430 811416285 /nfs/dbraw/zinc/41/62/85/811416285.db2.gz PEXFPIWOCVHJAS-NXOAAHMSSA-N 2 1 278.440 2.360 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H](COCC3CC3)C1)C2 ZINC001169155430 811416290 /nfs/dbraw/zinc/41/62/90/811416290.db2.gz PEXFPIWOCVHJAS-NXOAAHMSSA-N 2 1 278.440 2.360 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccn3ccnc3c2)CCC[C@@H]1C[NH3+] ZINC001206004082 811423367 /nfs/dbraw/zinc/42/33/67/811423367.db2.gz PXIVYLBFUQADQR-DZGCQCFKSA-N 2 1 272.396 2.141 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c(N)cccc2F)CCC[C@H]1C[NH3+] ZINC001206003850 811429257 /nfs/dbraw/zinc/42/92/57/811429257.db2.gz MYXNPBXWOOJTOK-NEPJUHHUSA-N 2 1 265.376 2.215 20 0 CEADMP CC[NH+]1CCC(n2cc(C(=O)C[NH3+])c3ccccc32)CC1 ZINC001169231136 811443753 /nfs/dbraw/zinc/44/37/53/811443753.db2.gz QSNSBRMIWYWTCP-UHFFFAOYSA-N 2 1 285.391 2.440 20 0 CEADMP CCC(=O)N(CC)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC001169263661 811450956 /nfs/dbraw/zinc/45/09/56/811450956.db2.gz DQVPXPJHIIQKDS-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1scnc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206011849 811513902 /nfs/dbraw/zinc/51/39/02/811513902.db2.gz GVWDEEYLRSHPAK-PWSUYJOCSA-N 2 1 253.415 2.258 20 0 CEADMP CC(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001044630293 811516548 /nfs/dbraw/zinc/51/65/48/811516548.db2.gz UZLXDQMCQZSYNE-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3nccn3c2)CCC[C@@H]1C[NH3+] ZINC001206013225 811562792 /nfs/dbraw/zinc/56/27/92/811562792.db2.gz QNHKJXLXGSROEN-DZGCQCFKSA-N 2 1 272.396 2.141 20 0 CEADMP [NH3+]Cc1ccn(-c2c[nH+]c3cc(Br)ccn32)c1 ZINC001169726306 811627898 /nfs/dbraw/zinc/62/78/98/811627898.db2.gz RFNYUDXYSOWHSQ-UHFFFAOYSA-N 2 1 291.152 2.346 20 0 CEADMP [NH3+]CCc1cn(-c2cccn3c[nH+]cc23)c2cccnc12 ZINC001169709781 811635750 /nfs/dbraw/zinc/63/57/50/811635750.db2.gz UGMNWRVJLUJCIJ-UHFFFAOYSA-N 2 1 277.331 2.174 20 0 CEADMP CC(C)Nc1cc[nH+]c(NC(C)(C)CC[NH+](C)C)n1 ZINC001169712138 811638803 /nfs/dbraw/zinc/63/88/03/811638803.db2.gz ZKERTIAFTPWHOQ-UHFFFAOYSA-N 2 1 265.405 2.439 20 0 CEADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169797395 811664655 /nfs/dbraw/zinc/66/46/55/811664655.db2.gz FMARWKVUBUIJHB-JKSUJKDBSA-N 2 1 295.471 2.311 20 0 CEADMP C[NH+](C)Cc1ccnc(NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC001156386514 811685842 /nfs/dbraw/zinc/68/58/42/811685842.db2.gz WHFRUPJYCKVSBW-CQSZACIVSA-N 2 1 276.428 2.287 20 0 CEADMP CC(C)[N@H+]1CC[C@](C)(NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001046416073 811750836 /nfs/dbraw/zinc/75/08/36/811750836.db2.gz WACGMSJIPUOQMD-INIZCTEOSA-N 2 1 286.379 2.166 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(C)(C)N(O)C(C)(C)C2)C1 ZINC001169973776 811803052 /nfs/dbraw/zinc/80/30/52/811803052.db2.gz TYZYPAUDPRMELV-CYBMUJFWSA-N 2 1 283.460 2.329 20 0 CEADMP CCC[NH+](CCC)CC[NH2+][C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172584760 815477178 /nfs/dbraw/zinc/47/71/78/815477178.db2.gz AEQMWNDDGYAFEK-HUUCEWRRSA-N 2 1 284.444 2.430 20 0 CEADMP CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109714312 811933270 /nfs/dbraw/zinc/93/32/70/811933270.db2.gz GOUWYWHSRHZJSO-UGUYLWEFSA-N 2 1 295.471 2.238 20 0 CEADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109733833 811934920 /nfs/dbraw/zinc/93/49/20/811934920.db2.gz IBYTUPSUFBKDDL-UGUYLWEFSA-N 2 1 295.471 2.238 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3Cc4ccc(Cl)cc4C3)C[C@@H]2C1 ZINC001172721493 815493363 /nfs/dbraw/zinc/49/33/63/815493363.db2.gz GQEVSJHNLCXKFX-LZWOXQAQSA-N 2 1 276.811 2.301 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3Cc4ccc(Cl)cc4C3)C[C@@H]2C1 ZINC001172721493 815493365 /nfs/dbraw/zinc/49/33/65/815493365.db2.gz GQEVSJHNLCXKFX-LZWOXQAQSA-N 2 1 276.811 2.301 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3Cc4ccc(Cl)cc4C3)C[C@@H]2C1 ZINC001172721493 815493368 /nfs/dbraw/zinc/49/33/68/815493368.db2.gz GQEVSJHNLCXKFX-LZWOXQAQSA-N 2 1 276.811 2.301 20 0 CEADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCCC(C)C ZINC001170060691 812018135 /nfs/dbraw/zinc/01/81/35/812018135.db2.gz BSFNSZVWCLMNMP-QWHCGFSZSA-N 2 1 258.406 2.071 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206566273 812091717 /nfs/dbraw/zinc/09/17/17/812091717.db2.gz ZELILYRYBFVOHI-INIZCTEOSA-N 2 1 278.396 2.352 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206566273 812091725 /nfs/dbraw/zinc/09/17/25/812091725.db2.gz ZELILYRYBFVOHI-INIZCTEOSA-N 2 1 278.396 2.352 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001172751689 815503490 /nfs/dbraw/zinc/50/34/90/815503490.db2.gz YEYDZEPGAMDBGR-MJBXVCDLSA-N 2 1 270.417 2.037 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001172751689 815503494 /nfs/dbraw/zinc/50/34/94/815503494.db2.gz YEYDZEPGAMDBGR-MJBXVCDLSA-N 2 1 270.417 2.037 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cnc1F ZINC001206036704 812155282 /nfs/dbraw/zinc/15/52/82/812155282.db2.gz OLCBNCVTCXVINI-YPMHNXCESA-N 2 1 281.375 2.036 20 0 CEADMP CC[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(C)C)[NH+](C)C ZINC001049727549 812199469 /nfs/dbraw/zinc/19/94/69/812199469.db2.gz KCFMACZMOMWGCA-ARFHVFGLSA-N 2 1 295.471 2.048 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001113573837 812281024 /nfs/dbraw/zinc/28/10/24/812281024.db2.gz JBJFZOBUGAWFBU-UHFFFAOYSA-N 2 1 283.460 2.053 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001113573837 812281029 /nfs/dbraw/zinc/28/10/29/812281029.db2.gz JBJFZOBUGAWFBU-UHFFFAOYSA-N 2 1 283.460 2.053 20 0 CEADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001097444879 812365133 /nfs/dbraw/zinc/36/51/33/812365133.db2.gz MMPUFNJKPNQDFO-BMFZPTHFSA-N 2 1 298.390 2.078 20 0 CEADMP C[N@H+]1CCC[C@H](NC2CC[NH+](CC3CCC3)CC2)CC1 ZINC001254510250 812428730 /nfs/dbraw/zinc/42/87/30/812428730.db2.gz UGMYEEFHZMILND-INIZCTEOSA-N 2 1 279.472 2.325 20 0 CEADMP C[N@@H+]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001254510250 812428739 /nfs/dbraw/zinc/42/87/39/812428739.db2.gz UGMYEEFHZMILND-INIZCTEOSA-N 3 1 279.472 2.325 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+]C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001254510250 812428743 /nfs/dbraw/zinc/42/87/43/812428743.db2.gz UGMYEEFHZMILND-INIZCTEOSA-N 3 1 279.472 2.325 20 0 CEADMP Cc1nc([C@@H]2CCCN([C@@H]3CCC[N@H+](C)CC3)C2)no1 ZINC001254515901 812436548 /nfs/dbraw/zinc/43/65/48/812436548.db2.gz GFZQPFMAHWZRQX-ZIAGYGMSSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc([C@@H]2CCC[NH+]([C@@H]3CCC[N@@H+](C)CC3)C2)no1 ZINC001254515901 812436555 /nfs/dbraw/zinc/43/65/55/812436555.db2.gz GFZQPFMAHWZRQX-ZIAGYGMSSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc([C@@H]2CCC[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)no1 ZINC001254515901 812436563 /nfs/dbraw/zinc/43/65/63/812436563.db2.gz GFZQPFMAHWZRQX-ZIAGYGMSSA-N 2 1 278.400 2.042 20 0 CEADMP C[N@H+]1CCN([C@@H]2CCC[NH+](C)CC2)C2(CCCC2)C1 ZINC001254531147 812449368 /nfs/dbraw/zinc/44/93/68/812449368.db2.gz FHWMUZNBBSJIQV-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCN([C@@H]2CCC[N@H+](C)CC2)C2(CCCC2)C1 ZINC001254531147 812449372 /nfs/dbraw/zinc/44/93/72/812449372.db2.gz FHWMUZNBBSJIQV-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCN([C@@H]2CCC[N@@H+](C)CC2)C2(CCCC2)C1 ZINC001254531147 812449377 /nfs/dbraw/zinc/44/93/77/812449377.db2.gz FHWMUZNBBSJIQV-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP CCCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001052713237 812450283 /nfs/dbraw/zinc/45/02/83/812450283.db2.gz UIMYSUQSVSGVJD-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001052713237 812450288 /nfs/dbraw/zinc/45/02/88/812450288.db2.gz UIMYSUQSVSGVJD-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001052713237 812450295 /nfs/dbraw/zinc/45/02/95/812450295.db2.gz UIMYSUQSVSGVJD-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129841017 812514883 /nfs/dbraw/zinc/51/48/83/812514883.db2.gz LKFYZWIZBRCMHI-OAHLLOKOSA-N 2 1 283.460 2.003 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC001170540651 812638474 /nfs/dbraw/zinc/63/84/74/812638474.db2.gz SWXJZKPRPBLOHV-GDBMZVCRSA-N 2 1 294.439 2.278 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001172922758 815546442 /nfs/dbraw/zinc/54/64/42/815546442.db2.gz HKLGBOKQAFPFSR-SBJFKYEJSA-N 2 1 252.402 2.159 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](Cc3[nH]c(C)cc3C)C[C@@H]2C1 ZINC001137332550 812692325 /nfs/dbraw/zinc/69/23/25/812692325.db2.gz YOWSYGVYNBLKMA-GJZGRUSLSA-N 2 1 261.413 2.405 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3[nH]nc4ccccc43)C2)CC1 ZINC001137349717 812704190 /nfs/dbraw/zinc/70/41/90/812704190.db2.gz GWUMQVWGVYZBLQ-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC2(CC[N@H+](Cc3n[nH]c4ccccc43)C2)CC1 ZINC001137349717 812704196 /nfs/dbraw/zinc/70/41/96/812704196.db2.gz GWUMQVWGVYZBLQ-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3n[nH]c4ccccc43)C2)CC1 ZINC001137349717 812704199 /nfs/dbraw/zinc/70/41/99/812704199.db2.gz GWUMQVWGVYZBLQ-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCC1CC1 ZINC001132248228 812807453 /nfs/dbraw/zinc/80/74/53/812807453.db2.gz DJEPXTNEKCALGX-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC1CCC1 ZINC001132249463 812811602 /nfs/dbraw/zinc/81/16/02/812811602.db2.gz PDSZSKPHIXFONY-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309952 812826573 /nfs/dbraw/zinc/82/65/73/812826573.db2.gz HBFMTMUKFHWEEE-CABCVRRESA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309952 812826582 /nfs/dbraw/zinc/82/65/82/812826582.db2.gz HBFMTMUKFHWEEE-CABCVRRESA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309952 812826583 /nfs/dbraw/zinc/82/65/83/812826583.db2.gz HBFMTMUKFHWEEE-CABCVRRESA-N 2 1 297.487 2.343 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132441178 812857010 /nfs/dbraw/zinc/85/70/10/812857010.db2.gz LLSRYYVIKXCDAT-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132441178 812857019 /nfs/dbraw/zinc/85/70/19/812857019.db2.gz LLSRYYVIKXCDAT-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132441178 812857028 /nfs/dbraw/zinc/85/70/28/812857028.db2.gz LLSRYYVIKXCDAT-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132517452 812871415 /nfs/dbraw/zinc/87/14/15/812871415.db2.gz CIVUCXOJJYFWEO-HUUCEWRRSA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132517452 812871423 /nfs/dbraw/zinc/87/14/23/812871423.db2.gz CIVUCXOJJYFWEO-HUUCEWRRSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CCC2CCCC2)CC[N@H+]1C ZINC001132893708 812956837 /nfs/dbraw/zinc/95/68/37/812956837.db2.gz YCYLXSTUVWRYHJ-HOCLYGCPSA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](C[NH2+]C(C)C)C1 ZINC001132938653 812960921 /nfs/dbraw/zinc/96/09/21/812960921.db2.gz XIFGURKHRDRTHB-GJZGRUSLSA-N 2 1 297.487 2.199 20 0 CEADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170658973 812994907 /nfs/dbraw/zinc/99/49/07/812994907.db2.gz NNLLGMJFXRNMLA-LLVKDONJSA-N 2 1 254.324 2.149 20 0 CEADMP Cc1cccc2c1ccnc2N1CC2(CN(C)C2)C1 ZINC001158864180 813076733 /nfs/dbraw/zinc/07/67/33/813076733.db2.gz LAORCVRQHMZSEJ-UHFFFAOYSA-N 2 1 253.349 2.295 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC001173102165 815580840 /nfs/dbraw/zinc/58/08/40/815580840.db2.gz TXMRPPIUDSSHAB-NFOMZHRRSA-N 2 1 253.434 2.063 20 0 CEADMP CC[NH+](CC)C1CCC(N2CCC[C@H]([NH3+])C2)CC1 ZINC001173102165 815580841 /nfs/dbraw/zinc/58/08/41/815580841.db2.gz TXMRPPIUDSSHAB-NFOMZHRRSA-N 2 1 253.434 2.063 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H](N)C2)CC1 ZINC001173102165 815580842 /nfs/dbraw/zinc/58/08/42/815580842.db2.gz TXMRPPIUDSSHAB-NFOMZHRRSA-N 2 1 253.434 2.063 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](N)C2)CC1 ZINC001173102165 815580844 /nfs/dbraw/zinc/58/08/44/815580844.db2.gz TXMRPPIUDSSHAB-NFOMZHRRSA-N 2 1 253.434 2.063 20 0 CEADMP C[NH+]1CCC[C@H]1C[C@H]1CCCCN1[C@H]1CC[N@H+](C)C1 ZINC001255444783 813214119 /nfs/dbraw/zinc/21/41/19/813214119.db2.gz QKAOSRMLXWRULY-XHSDSOJGSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+]1CC[C@H](N2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001255444783 813214126 /nfs/dbraw/zinc/21/41/26/813214126.db2.gz QKAOSRMLXWRULY-XHSDSOJGSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+]1CC[C@H](N2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001255444783 813214131 /nfs/dbraw/zinc/21/41/31/813214131.db2.gz QKAOSRMLXWRULY-XHSDSOJGSA-N 2 1 265.445 2.029 20 0 CEADMP CC1(C)[C@@H]2C[C@H]([N@@H+](C3COC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170736887 813229934 /nfs/dbraw/zinc/22/99/34/813229934.db2.gz DXCCGEBWPFIKBX-BITGBVICSA-N 2 1 278.440 2.392 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(C)C ZINC001134772489 813323099 /nfs/dbraw/zinc/32/30/99/813323099.db2.gz FANQBABHSAEGKV-KBPBESRZSA-N 2 1 285.476 2.246 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135103169 813366404 /nfs/dbraw/zinc/36/64/04/813366404.db2.gz XHVQWQJKHMTIFF-HOTGVXAUSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H](C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1)[NH2+]CC1CC1 ZINC001135466823 813442251 /nfs/dbraw/zinc/44/22/51/813442251.db2.gz AMKSPKRCJCBKNO-KGLIPLIRSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC1CC1 ZINC001135477092 813446653 /nfs/dbraw/zinc/44/66/53/813446653.db2.gz QQKWIOXEQQAAQF-KGLIPLIRSA-N 2 1 297.487 2.247 20 0 CEADMP CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583794 813468634 /nfs/dbraw/zinc/46/86/34/813468634.db2.gz FNWHEEIKWNBMBU-UONOGXRCSA-N 2 1 294.443 2.289 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)CC2CCCC2)C[C@H]1C[NH3+] ZINC000397392963 813615594 /nfs/dbraw/zinc/61/55/94/813615594.db2.gz YYTDQQCEYIRABI-OCVGTWLNSA-N 2 1 268.445 2.233 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CC1(C)C ZINC000397609777 813630074 /nfs/dbraw/zinc/63/00/74/813630074.db2.gz HKVUCRNHHWSIDZ-TUVASFSCSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CC1(C)C ZINC000397609777 813630081 /nfs/dbraw/zinc/63/00/81/813630081.db2.gz HKVUCRNHHWSIDZ-TUVASFSCSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]1 ZINC001246110580 813703878 /nfs/dbraw/zinc/70/38/78/813703878.db2.gz NBIADFFHCHXSDG-ILXRZTDVSA-N 3 1 265.445 2.171 20 0 CEADMP CC1(C)COC2(CCC([NH2+][C@H]3CCC[NH2+]C3)CC2)OC1 ZINC001246119626 813709323 /nfs/dbraw/zinc/70/93/23/813709323.db2.gz IDDXNATVZDXUSO-AWEZNQCLSA-N 2 1 282.428 2.040 20 0 CEADMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246154428 813713916 /nfs/dbraw/zinc/71/39/16/813713916.db2.gz XNXUHLDWTZGZFQ-MCIONIFRSA-N 2 1 284.444 2.461 20 0 CEADMP CCC(CC)C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997381 813715312 /nfs/dbraw/zinc/71/53/12/813715312.db2.gz OHEASXGPHRISNF-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP CC[C@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@@]23C[NH2+]CCO3)C1 ZINC001246159891 813716949 /nfs/dbraw/zinc/71/69/49/813716949.db2.gz LLDMSKPYHODYNN-XUWVNRHRSA-N 2 1 266.429 2.456 20 0 CEADMP CCCCCC[C@H](CCC)[NH2+][C@H]1C[NH2+][C@H](CO)C1 ZINC001246215630 813732352 /nfs/dbraw/zinc/73/23/52/813732352.db2.gz ZRBMEJRZDGJZIC-ZNMIVQPWSA-N 2 1 256.434 2.438 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCCOc2cccc(F)c2)CN1 ZINC001246325500 813779621 /nfs/dbraw/zinc/77/96/21/813779621.db2.gz ANXLVEONBSZANK-TZMCWYRMSA-N 2 1 266.360 2.325 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCCOc2cccc(F)c2)C[NH2+]1 ZINC001246325500 813779628 /nfs/dbraw/zinc/77/96/28/813779628.db2.gz ANXLVEONBSZANK-TZMCWYRMSA-N 2 1 266.360 2.325 20 0 CEADMP CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001074825738 813859396 /nfs/dbraw/zinc/85/93/96/813859396.db2.gz FEOOEZIGUWFHDP-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CCC[C@@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246539489 813944950 /nfs/dbraw/zinc/94/49/50/813944950.db2.gz BTVRKALITBQEJI-HUUCEWRRSA-N 2 1 256.434 2.377 20 0 CEADMP CSCC[C@H](C)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246555681 814029120 /nfs/dbraw/zinc/02/91/20/814029120.db2.gz HHTPSBXOKCAFAN-VHSXEESVSA-N 2 1 252.374 2.044 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](CO)CC1 ZINC001255955728 814059149 /nfs/dbraw/zinc/05/91/49/814059149.db2.gz DAXDILCUDJSNGH-LSDHHAIUSA-N 2 1 256.434 2.201 20 0 CEADMP CC(C)(C)[NH+]1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144624675 814126085 /nfs/dbraw/zinc/12/60/85/814126085.db2.gz PQSJKCGCGJOHET-UHFFFAOYSA-N 2 1 272.396 2.250 20 0 CEADMP CCOC(=O)N1CCC[C@H]([N@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC001246581386 814152996 /nfs/dbraw/zinc/15/29/96/814152996.db2.gz JUFUVJMHDLKMSY-CABCVRRESA-N 2 1 297.443 2.058 20 0 CEADMP C[NH+]1CCC([NH+]2CCC(OC3CCC3)CC2)CC1 ZINC001256202120 814182722 /nfs/dbraw/zinc/18/27/22/814182722.db2.gz AATJDEBKHFJGFE-UHFFFAOYSA-N 2 1 252.402 2.114 20 0 CEADMP CCCCOC(=O)CC[C@H](C)[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001246594800 814190707 /nfs/dbraw/zinc/19/07/07/814190707.db2.gz MODVPKYDDKJDHW-KGLIPLIRSA-N 2 1 270.417 2.182 20 0 CEADMP CCCCOC(=O)CC[C@H](C)[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001246594800 814190713 /nfs/dbraw/zinc/19/07/13/814190713.db2.gz MODVPKYDDKJDHW-KGLIPLIRSA-N 2 1 270.417 2.182 20 0 CEADMP C[C@H]1C[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CC(C)(C)C1 ZINC001246599836 814199889 /nfs/dbraw/zinc/19/98/89/814199889.db2.gz DUTWYQSRUYQTKR-LSDHHAIUSA-N 2 1 279.472 2.229 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CC=C(C)C)C1 ZINC001100898679 814202266 /nfs/dbraw/zinc/20/22/66/814202266.db2.gz VYSDBHITTNDKKT-UHFFFAOYSA-N 2 1 295.471 2.169 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CCC(C)C)C1 ZINC001100900235 814202679 /nfs/dbraw/zinc/20/26/79/814202679.db2.gz XERHLMSTMYCADS-UHFFFAOYSA-N 2 1 297.487 2.249 20 0 CEADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246619961 814216710 /nfs/dbraw/zinc/21/67/10/814216710.db2.gz VFLKQWPRQDTIOZ-QZWWFDLISA-N 2 1 281.488 2.473 20 0 CEADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171261250 814244289 /nfs/dbraw/zinc/24/42/89/814244289.db2.gz SAATWTAKUMRQMV-HNNXBMFYSA-N 2 1 297.487 2.391 20 0 CEADMP CC[C@H](C[C@@H](C)CC)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246858184 814296319 /nfs/dbraw/zinc/29/63/19/814296319.db2.gz CYVBELJOXBXKRI-UUWGUWTESA-N 2 1 254.418 2.107 20 0 CEADMP CC[C@H]([NH2+]CCNC(=O)CC[N@@H+](C)CC)c1ccccc1 ZINC001146711185 814312099 /nfs/dbraw/zinc/31/20/99/814312099.db2.gz QEUWEGGZKFRMHJ-INIZCTEOSA-N 2 1 291.439 2.185 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CCC3(CCOC3(C)C)CC2)CC[NH2+]1 ZINC001246945740 814462322 /nfs/dbraw/zinc/46/23/22/814462322.db2.gz LTZYXVHMIVHYCZ-ZIAGYGMSSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CC[C@H](O)C[N@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256569669 814471066 /nfs/dbraw/zinc/47/10/66/814471066.db2.gz MXTFICQUSXPHPQ-OCCSQVGLSA-N 2 1 254.418 2.095 20 0 CEADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CC2CCCCCC2)C1 ZINC001147884502 814509330 /nfs/dbraw/zinc/50/93/30/814509330.db2.gz DIXJOSMCEVSEMO-MRXNPFEDSA-N 2 1 295.471 2.004 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](CO)C2)CC1 ZINC001173108003 815582457 /nfs/dbraw/zinc/58/24/57/815582457.db2.gz AYDQRVNUCZNDJB-FHERZECASA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@](F)(CO)C2)CC1 ZINC001173110759 815583032 /nfs/dbraw/zinc/58/30/32/815583032.db2.gz WONOBHXUDIXBMC-NRXISQOPSA-N 2 1 272.408 2.046 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](C)CC2COC2)CC1 ZINC001173114824 815583582 /nfs/dbraw/zinc/58/35/82/815583582.db2.gz UFHNIZZRNALOAI-UHFFFAOYSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729518 814751747 /nfs/dbraw/zinc/75/17/47/814751747.db2.gz JAHPSJXUNAGQEQ-HNNXBMFYSA-N 2 1 295.471 2.289 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCOC(F)(F)F)[C@H]1CC[NH3+] ZINC000713418874 814852417 /nfs/dbraw/zinc/85/24/17/814852417.db2.gz BYMMDMFAMYONJJ-MNOVXSKESA-N 2 1 268.323 2.362 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000713595433 814865612 /nfs/dbraw/zinc/86/56/12/814865612.db2.gz GBXGGJASJBVCRY-RDBSUJKOSA-N 2 1 254.418 2.108 20 0 CEADMP CC1(C)CC[C@@H](C[N@H+]2CCC[C@@H](CC[NH3+])C2)OC1 ZINC000713596703 814866156 /nfs/dbraw/zinc/86/61/56/814866156.db2.gz NDRACZMFTLHBFI-KBPBESRZSA-N 2 1 254.418 2.252 20 0 CEADMP Cc1cc(N(C)C)[nH+]cc1N1c2ccccc2OC[C@H]1C[NH3+] ZINC001171398790 814872128 /nfs/dbraw/zinc/87/21/28/814872128.db2.gz CFRXZOPNFXDHPY-CYBMUJFWSA-N 2 1 298.390 2.314 20 0 CEADMP C[C@H]1C[C@@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)CCO1 ZINC001173171518 815621675 /nfs/dbraw/zinc/62/16/75/815621675.db2.gz ZKZKWINVZCDXSC-ZNMIVQPWSA-N 2 1 254.418 2.395 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4cncnc4)c3)C[C@@H]2C1 ZINC001137770536 815680655 /nfs/dbraw/zinc/68/06/55/815680655.db2.gz PVKLMMIWZIUSLJ-HDICACEKSA-N 2 1 294.402 2.137 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(-c4cncnc4)c3)C[C@@H]2C1 ZINC001137770536 815680662 /nfs/dbraw/zinc/68/06/62/815680662.db2.gz PVKLMMIWZIUSLJ-HDICACEKSA-N 2 1 294.402 2.137 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(-c4cncnc4)c3)C[C@@H]2C1 ZINC001137770536 815680667 /nfs/dbraw/zinc/68/06/67/815680667.db2.gz PVKLMMIWZIUSLJ-HDICACEKSA-N 2 1 294.402 2.137 20 0 CEADMP CCN1CC[C@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173354340 815694732 /nfs/dbraw/zinc/69/47/32/815694732.db2.gz NMWOOBAGGLSSLN-KKUMJFAQSA-N 2 1 253.434 2.061 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C1 ZINC001173362989 815703470 /nfs/dbraw/zinc/70/34/70/815703470.db2.gz KOARTYQIKIMPSB-INIZCTEOSA-N 2 1 267.461 2.133 20 0 CEADMP COC(=O)CCCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001173437867 815715647 /nfs/dbraw/zinc/71/56/47/815715647.db2.gz SIHLIXQIYSXKLK-KGLIPLIRSA-N 2 1 270.417 2.182 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc4nccnc34)C[C@@H]2C1 ZINC001138308101 815764669 /nfs/dbraw/zinc/76/46/69/815764669.db2.gz YYSMIKBDUFDXMQ-IYBDPMFKSA-N 2 1 296.418 2.403 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4nccnc34)C[C@@H]2C1 ZINC001138308101 815764677 /nfs/dbraw/zinc/76/46/77/815764677.db2.gz YYSMIKBDUFDXMQ-IYBDPMFKSA-N 2 1 296.418 2.403 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4nccnc34)C[C@@H]2C1 ZINC001138308101 815764681 /nfs/dbraw/zinc/76/46/81/815764681.db2.gz YYSMIKBDUFDXMQ-IYBDPMFKSA-N 2 1 296.418 2.403 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4nccnc34)C[C@@H]2C1 ZINC001138308101 815764688 /nfs/dbraw/zinc/76/46/88/815764688.db2.gz YYSMIKBDUFDXMQ-IYBDPMFKSA-N 2 1 296.418 2.403 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[N@@H+](C2)[C@@H]3C)C1 ZINC001173636758 815775378 /nfs/dbraw/zinc/77/53/78/815775378.db2.gz OGWRACPRPHBDEN-DGXTUMSLSA-N 2 1 294.439 2.181 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC001138543804 815822529 /nfs/dbraw/zinc/82/25/29/815822529.db2.gz VKJOXWJGWLUQFK-MRXNPFEDSA-N 2 1 271.364 2.137 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1 ZINC001138543804 815822537 /nfs/dbraw/zinc/82/25/37/815822537.db2.gz VKJOXWJGWLUQFK-MRXNPFEDSA-N 2 1 271.364 2.137 20 0 CEADMP CCCn1ncc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C ZINC001138635240 815851954 /nfs/dbraw/zinc/85/19/54/815851954.db2.gz BKWYKICINOVHKN-UHFFFAOYSA-N 2 1 299.422 2.319 20 0 CEADMP CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138773985 815891365 /nfs/dbraw/zinc/89/13/65/815891365.db2.gz VTKRMGMRYDKOPM-KRWDZBQOSA-N 2 1 290.407 2.180 20 0 CEADMP CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138773985 815891375 /nfs/dbraw/zinc/89/13/75/815891375.db2.gz VTKRMGMRYDKOPM-KRWDZBQOSA-N 2 1 290.407 2.180 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4ccnn43)C2)CC1 ZINC001138808356 815908361 /nfs/dbraw/zinc/90/83/61/815908361.db2.gz SNYNBDZAAZHEKR-UHFFFAOYSA-N 2 1 284.407 2.252 20 0 CEADMP C[NH+]1CCN(c2ncc(C[NH+]3CCCCCC3)s2)CC1 ZINC001139318488 816003444 /nfs/dbraw/zinc/00/34/44/816003444.db2.gz CFSGTOOAOOGSAC-UHFFFAOYSA-N 2 1 294.468 2.271 20 0 CEADMP COC(=O)CC[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CC1 ZINC001139361649 816011980 /nfs/dbraw/zinc/01/19/80/816011980.db2.gz VCGDIWVNUDGDGU-UHFFFAOYSA-N 2 1 299.374 2.400 20 0 CEADMP CCOc1ccncc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001139631669 816068889 /nfs/dbraw/zinc/06/88/89/816068889.db2.gz DFUFGMONRZDTDK-UHFFFAOYSA-N 2 1 275.396 2.008 20 0 CEADMP Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)nc1 ZINC001139841546 816125361 /nfs/dbraw/zinc/12/53/61/816125361.db2.gz YCWJIKOGKNPEAA-UHFFFAOYSA-N 2 1 282.391 2.416 20 0 CEADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccnn2)CC1 ZINC001139973442 816153553 /nfs/dbraw/zinc/15/35/53/816153553.db2.gz VQKBYJJDXSKTAQ-UHFFFAOYSA-N 2 1 262.401 2.029 20 0 CEADMP CSc1nccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC001140035085 816171997 /nfs/dbraw/zinc/17/19/97/816171997.db2.gz GWKYVNSIIDAYBF-UHFFFAOYSA-N 2 1 292.452 2.116 20 0 CEADMP COC(=O)c1cccc2[nH+]cc(Nc3cc(C)[nH+]c(C)c3)n21 ZINC001176053435 816341388 /nfs/dbraw/zinc/34/13/88/816341388.db2.gz BMOYYKWMAKGKDJ-UHFFFAOYSA-N 2 1 296.330 2.298 20 0 CEADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176167338 816358685 /nfs/dbraw/zinc/35/86/85/816358685.db2.gz YDTVELRGRKSAOD-HOTGVXAUSA-N 2 1 297.487 2.249 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001140806731 816368126 /nfs/dbraw/zinc/36/81/26/816368126.db2.gz PKDKLBPDFFLKFR-CYBMUJFWSA-N 2 1 295.346 2.006 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001140806731 816368130 /nfs/dbraw/zinc/36/81/30/816368130.db2.gz PKDKLBPDFFLKFR-CYBMUJFWSA-N 2 1 295.346 2.006 20 0 CEADMP C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cnc2cc[nH]cc1-2 ZINC001140807135 816370946 /nfs/dbraw/zinc/37/09/46/816370946.db2.gz NLHGCDASHICHBU-LRDDRELGSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cnc2cc[nH]cc1-2 ZINC001140807135 816370951 /nfs/dbraw/zinc/37/09/51/816370951.db2.gz NLHGCDASHICHBU-LRDDRELGSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1c[nH]c2cc[nH+]cc12 ZINC001140807135 816370960 /nfs/dbraw/zinc/37/09/60/816370960.db2.gz NLHGCDASHICHBU-LRDDRELGSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1c[nH]c2cc[nH+]cc12 ZINC001140807135 816370967 /nfs/dbraw/zinc/37/09/67/816370967.db2.gz NLHGCDASHICHBU-LRDDRELGSA-N 2 1 270.380 2.089 20 0 CEADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176285107 816377339 /nfs/dbraw/zinc/37/73/39/816377339.db2.gz MZEPBQSESCGACY-OAHLLOKOSA-N 2 1 285.476 2.393 20 0 CEADMP Cc1cccc2[nH+]cc(Nc3cnn(CC[NH+](C)C)c3)n21 ZINC001176447316 816417047 /nfs/dbraw/zinc/41/70/47/816417047.db2.gz UKVMUUVMFRLBSD-UHFFFAOYSA-N 2 1 284.367 2.144 20 0 CEADMP CCCCc1nc(CN2CC[C@H]([N@@H+](C)C3CC3)C2)c[nH]1 ZINC001141073833 816469904 /nfs/dbraw/zinc/46/99/04/816469904.db2.gz LUMXNFNKBLVGHF-HNNXBMFYSA-N 2 1 276.428 2.421 20 0 CEADMP CCCCc1ncc(CN2CC[C@H]([N@H+](C)C3CC3)C2)[nH]1 ZINC001141073833 816469905 /nfs/dbraw/zinc/46/99/05/816469905.db2.gz LUMXNFNKBLVGHF-HNNXBMFYSA-N 2 1 276.428 2.421 20 0 CEADMP CCCCc1ncc(CN2CC[C@H]([N@@H+](C)C3CC3)C2)[nH]1 ZINC001141073833 816469907 /nfs/dbraw/zinc/46/99/07/816469907.db2.gz LUMXNFNKBLVGHF-HNNXBMFYSA-N 2 1 276.428 2.421 20 0 CEADMP C[NH+](C)CCO[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001206288221 816502797 /nfs/dbraw/zinc/50/27/97/816502797.db2.gz WXZULAPLPZHMMB-CQSZACIVSA-N 2 1 282.815 2.493 20 0 CEADMP Cn1c2ccccc2cc(C[NH2+]CCC[NH+]2CCCC2)c1=O ZINC001177136162 816524712 /nfs/dbraw/zinc/52/47/12/816524712.db2.gz GNIAPJDFBRZSLJ-UHFFFAOYSA-N 2 1 299.418 2.114 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(Cl)nn3)C2)CC1 ZINC001142073492 816618838 /nfs/dbraw/zinc/61/88/38/816618838.db2.gz QZFATZWTWOGXTL-UHFFFAOYSA-N 2 1 280.803 2.048 20 0 CEADMP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045477 816662893 /nfs/dbraw/zinc/66/28/93/816662893.db2.gz MLWVNFCOOCFNNW-MRXNPFEDSA-N 2 1 297.487 2.393 20 0 CEADMP Cc1c[nH]c(=O)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206318440 816689592 /nfs/dbraw/zinc/68/95/92/816689592.db2.gz PMXAIGFALAUBOM-HNNXBMFYSA-N 2 1 263.385 2.047 20 0 CEADMP CN(C)c1cccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206351660 816804120 /nfs/dbraw/zinc/80/41/20/816804120.db2.gz HNPIOECZOHAQMG-MRXNPFEDSA-N 2 1 279.403 2.406 20 0 CEADMP CN(C)c1cccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206351660 816804128 /nfs/dbraw/zinc/80/41/28/816804128.db2.gz HNPIOECZOHAQMG-MRXNPFEDSA-N 2 1 279.403 2.406 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1cc2cccnc2[nH]1 ZINC001143228620 816818756 /nfs/dbraw/zinc/81/87/56/816818756.db2.gz HSVUCIJPSCJBJG-UHFFFAOYSA-N 2 1 260.385 2.337 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2cccnc2[nH]1 ZINC001143228620 816818764 /nfs/dbraw/zinc/81/87/64/816818764.db2.gz HSVUCIJPSCJBJG-UHFFFAOYSA-N 2 1 260.385 2.337 20 0 CEADMP Cc1cnc([C@H](C)[NH2+]CCn2cc[nH+]c2C)s1 ZINC000124339937 187133055 /nfs/dbraw/zinc/13/30/55/187133055.db2.gz IJNFBBOGXSREAN-JTQLQIEISA-N 2 1 250.371 2.307 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccncc1F ZINC000449075836 282090409 /nfs/dbraw/zinc/09/04/09/282090409.db2.gz SDCKHYPIDSZIJZ-NSHDSACASA-N 2 1 262.332 2.152 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000449077112 282090907 /nfs/dbraw/zinc/09/09/07/282090907.db2.gz IXSCKJDXXBUBSL-RRFJBIMHSA-N 2 1 256.434 2.369 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Cn2ccnc2C)[C@H](C)C1 ZINC000121442120 365569069 /nfs/dbraw/zinc/56/90/69/365569069.db2.gz ZLMRHYPJYSYUBI-FMKPAKJESA-N 2 1 278.444 2.148 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000121442120 365569074 /nfs/dbraw/zinc/56/90/74/365569074.db2.gz ZLMRHYPJYSYUBI-FMKPAKJESA-N 3 1 278.444 2.148 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000121442120 365569080 /nfs/dbraw/zinc/56/90/80/365569080.db2.gz ZLMRHYPJYSYUBI-FMKPAKJESA-N 3 1 278.444 2.148 20 0 CEADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000124653624 187147449 /nfs/dbraw/zinc/14/74/49/187147449.db2.gz OQNGCDUQCLWVEP-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000124653624 187147450 /nfs/dbraw/zinc/14/74/50/187147450.db2.gz OQNGCDUQCLWVEP-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP COc1c(C)cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1C ZINC000336537781 365615822 /nfs/dbraw/zinc/61/58/22/365615822.db2.gz KPXFLNLABBQCRB-HIFRSBDPSA-N 2 1 262.397 2.481 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC000336561938 365646908 /nfs/dbraw/zinc/64/69/08/365646908.db2.gz WLUMFYVPFKWOEE-JKSUJKDBSA-N 2 1 294.826 2.374 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC000336561938 365646914 /nfs/dbraw/zinc/64/69/14/365646914.db2.gz WLUMFYVPFKWOEE-JKSUJKDBSA-N 2 1 294.826 2.374 20 0 CEADMP CC[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000124931884 365662613 /nfs/dbraw/zinc/66/26/13/365662613.db2.gz BJKAYKCVPFDEJS-ZNMIVQPWSA-N 2 1 297.487 2.199 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000567681552 299074589 /nfs/dbraw/zinc/07/45/89/299074589.db2.gz VSTTWQZMXRVCOT-NWDGAFQWSA-N 2 1 282.350 2.010 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621380788 349588078 /nfs/dbraw/zinc/58/80/78/349588078.db2.gz FATIBAUGOOMSKL-CQSZACIVSA-N 2 1 256.434 2.201 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000567681552 299074586 /nfs/dbraw/zinc/07/45/86/299074586.db2.gz VSTTWQZMXRVCOT-NWDGAFQWSA-N 2 1 282.350 2.010 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000125450180 187185209 /nfs/dbraw/zinc/18/52/09/187185209.db2.gz IUJOVEBWRGMJKG-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000125450180 187185210 /nfs/dbraw/zinc/18/52/10/187185210.db2.gz IUJOVEBWRGMJKG-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360027791 293093155 /nfs/dbraw/zinc/09/31/55/293093155.db2.gz AHRFSTRZXBTEEE-ILXRZTDVSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000037644347 361915160 /nfs/dbraw/zinc/91/51/60/361915160.db2.gz YRHJXVJHXHXNQF-CQSZACIVSA-N 2 1 290.407 2.279 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000037644347 361915166 /nfs/dbraw/zinc/91/51/66/361915166.db2.gz YRHJXVJHXHXNQF-CQSZACIVSA-N 2 1 290.407 2.279 20 0 CEADMP O[C@@H](C[NH2+][C@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000037859729 361954946 /nfs/dbraw/zinc/95/49/46/361954946.db2.gz NDZAZJYSAXOEBA-RDJZCZTQSA-N 2 1 274.408 2.110 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)cc2)CC1 ZINC000037978910 361969587 /nfs/dbraw/zinc/96/95/87/361969587.db2.gz XSMYODKSTXBLHU-UHFFFAOYSA-N 2 1 276.380 2.047 20 0 CEADMP CCC[NH+]1CCC(NC[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000121799325 539030726 /nfs/dbraw/zinc/03/07/26/539030726.db2.gz AABXGAVEEQQAGJ-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000121799325 539030728 /nfs/dbraw/zinc/03/07/28/539030728.db2.gz AABXGAVEEQQAGJ-OAHLLOKOSA-N 3 1 267.461 2.182 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000121799325 539030729 /nfs/dbraw/zinc/03/07/29/539030729.db2.gz AABXGAVEEQQAGJ-OAHLLOKOSA-N 3 1 267.461 2.182 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+]CCCn2cc[nH+]c2C)C1(C)C ZINC000338018978 214364663 /nfs/dbraw/zinc/36/46/63/214364663.db2.gz NTXFDOOKBKALOB-DZGCQCFKSA-N 2 1 265.401 2.375 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000621649508 349650069 /nfs/dbraw/zinc/65/00/69/349650069.db2.gz KDJVNADTYOKZBR-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)s1 ZINC000090408987 539186417 /nfs/dbraw/zinc/18/64/17/539186417.db2.gz UOBFCZKCKGKLIB-ZYHUDNBSSA-N 2 1 253.415 2.444 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000090408987 539186418 /nfs/dbraw/zinc/18/64/18/539186418.db2.gz UOBFCZKCKGKLIB-ZYHUDNBSSA-N 2 1 253.415 2.444 20 0 CEADMP COCC[N@@H+]1CC[C@H](Nc2[nH+]ccc(C)c2C2CC2)C1 ZINC000668511887 539187198 /nfs/dbraw/zinc/18/71/98/539187198.db2.gz MAGANWLCCIIIAF-AWEZNQCLSA-N 2 1 275.396 2.400 20 0 CEADMP COCC[N@H+]1CC[C@H](Nc2[nH+]ccc(C)c2C2CC2)C1 ZINC000668511887 539187200 /nfs/dbraw/zinc/18/72/00/539187200.db2.gz MAGANWLCCIIIAF-AWEZNQCLSA-N 2 1 275.396 2.400 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000449317468 282185764 /nfs/dbraw/zinc/18/57/64/282185764.db2.gz CMBSOBXUTWQUJN-CQSZACIVSA-N 2 1 283.460 2.145 20 0 CEADMP CCn1nccc1CNCc1ccc(-n2ccnc2)cc1 ZINC000677128016 539187764 /nfs/dbraw/zinc/18/77/64/539187764.db2.gz ZSKMFWXNXSSUOK-UHFFFAOYSA-N 2 1 281.363 2.379 20 0 CEADMP Cc1nn(C)cc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000125937713 365692279 /nfs/dbraw/zinc/69/22/79/365692279.db2.gz UMWQUYSQFYIVAC-ZDUSSCGKSA-N 2 1 264.417 2.083 20 0 CEADMP Cc1nn(C)cc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000125937713 365692283 /nfs/dbraw/zinc/69/22/83/365692283.db2.gz UMWQUYSQFYIVAC-ZDUSSCGKSA-N 2 1 264.417 2.083 20 0 CEADMP C[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(-n3ccnc3)cs1)C2 ZINC000668597229 539208078 /nfs/dbraw/zinc/20/80/78/539208078.db2.gz SAMURLCIWGXMSA-SWLSCSKDSA-N 2 1 289.404 2.402 20 0 CEADMP COc1ccccc1CCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784417 349702103 /nfs/dbraw/zinc/70/21/03/349702103.db2.gz OORFNQKTJPOHLM-DOTOQJQBSA-N 2 1 274.408 2.441 20 0 CEADMP COc1ccccc1CCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784417 349702106 /nfs/dbraw/zinc/70/21/06/349702106.db2.gz OORFNQKTJPOHLM-DOTOQJQBSA-N 2 1 274.408 2.441 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCOCc1ccccc1)C2 ZINC000621784588 349703079 /nfs/dbraw/zinc/70/30/79/349703079.db2.gz RCRQVFZYWMPWMF-CVEARBPZSA-N 2 1 260.381 2.016 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCOCc1ccccc1)C2 ZINC000621784588 349703082 /nfs/dbraw/zinc/70/30/82/349703082.db2.gz RCRQVFZYWMPWMF-CVEARBPZSA-N 2 1 260.381 2.016 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCOCc1ccccc1)C2 ZINC000621784589 349703266 /nfs/dbraw/zinc/70/32/66/349703266.db2.gz RCRQVFZYWMPWMF-HOTGVXAUSA-N 2 1 260.381 2.016 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCOCc1ccccc1)C2 ZINC000621784589 349703269 /nfs/dbraw/zinc/70/32/69/349703269.db2.gz RCRQVFZYWMPWMF-HOTGVXAUSA-N 2 1 260.381 2.016 20 0 CEADMP CC[C@H]1COCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000091980243 539229351 /nfs/dbraw/zinc/22/93/51/539229351.db2.gz HXERFDMIHKCFIJ-INIZCTEOSA-N 2 1 292.423 2.238 20 0 CEADMP CC[C@H]1COCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000091980243 539229353 /nfs/dbraw/zinc/22/93/53/539229353.db2.gz HXERFDMIHKCFIJ-INIZCTEOSA-N 2 1 292.423 2.238 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CC[C@H]4COC[C@@H]4C3)n2c1 ZINC000668706525 539242660 /nfs/dbraw/zinc/24/26/60/539242660.db2.gz SSJKQYYHQBIJAG-KBPBESRZSA-N 2 1 271.364 2.111 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000449361260 282200394 /nfs/dbraw/zinc/20/03/94/282200394.db2.gz JBFMTDWOQHANCH-ARFHVFGLSA-N 2 1 295.471 2.084 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cc(-n3ccnc3)cs1)C2 ZINC000622004569 349764775 /nfs/dbraw/zinc/76/47/75/349764775.db2.gz QPICJSOXUOVFSD-IUODEOHRSA-N 2 1 288.420 2.247 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(-n3ccnc3)cs1)C2 ZINC000622004569 349764778 /nfs/dbraw/zinc/76/47/78/349764778.db2.gz QPICJSOXUOVFSD-IUODEOHRSA-N 2 1 288.420 2.247 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000401746908 539254498 /nfs/dbraw/zinc/25/44/98/539254498.db2.gz KVMXQGYCJMVYJH-AWEZNQCLSA-N 2 1 275.783 2.373 20 0 CEADMP C[C@@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)C(C)(C)C ZINC000668739031 539254774 /nfs/dbraw/zinc/25/47/74/539254774.db2.gz IPGFBBMJTSCIET-ZFWWWQNUSA-N 2 1 268.445 2.200 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cncnc2)CC1 ZINC000134144243 539278756 /nfs/dbraw/zinc/27/87/56/539278756.db2.gz WDULYADLTIFWPO-UHFFFAOYSA-N 2 1 276.428 2.421 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000449395801 282217302 /nfs/dbraw/zinc/21/73/02/282217302.db2.gz VYQVUFALYJHJDV-KURKYZTESA-N 2 1 288.435 2.461 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)OC ZINC000449404549 282222518 /nfs/dbraw/zinc/22/25/18/282222518.db2.gz VBUGXJHYTGTSNC-XQLPTFJDSA-N 2 1 256.434 2.367 20 0 CEADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000126681130 187254636 /nfs/dbraw/zinc/25/46/36/187254636.db2.gz GUICNEJKZHNGTA-ZFWWWQNUSA-N 2 1 274.408 2.397 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000567811785 299093633 /nfs/dbraw/zinc/09/36/33/299093633.db2.gz JRQJDDGLFCQJEU-XEZPLFJOSA-N 2 1 289.423 2.261 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000040621590 343437411 /nfs/dbraw/zinc/43/74/11/343437411.db2.gz GPWOBRDWIIXSMZ-OAHLLOKOSA-N 2 1 290.407 2.293 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000040621590 343437415 /nfs/dbraw/zinc/43/74/15/343437415.db2.gz GPWOBRDWIIXSMZ-OAHLLOKOSA-N 2 1 290.407 2.293 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000044533249 343473768 /nfs/dbraw/zinc/47/37/68/343473768.db2.gz QUYWHPJBRLQUDE-INIZCTEOSA-N 2 1 284.407 2.304 20 0 CEADMP [NH3+]C1CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000333158059 539321477 /nfs/dbraw/zinc/32/14/77/539321477.db2.gz NHZNSZNWNVKDJT-SJJHQCBESA-N 3 1 273.424 2.339 20 0 CEADMP COCC(COC)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449534470 282275797 /nfs/dbraw/zinc/27/57/97/282275797.db2.gz CIEXFSLBEXSYPE-YOEHRIQHSA-N 2 1 298.471 2.281 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(C)n2C)CC1 ZINC000052442089 343560991 /nfs/dbraw/zinc/56/09/91/343560991.db2.gz ZMIJKUVPYPMLBN-UHFFFAOYSA-N 2 1 293.459 2.067 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(C)n2C)CC1 ZINC000052442089 343560992 /nfs/dbraw/zinc/56/09/92/343560992.db2.gz ZMIJKUVPYPMLBN-UHFFFAOYSA-N 2 1 293.459 2.067 20 0 CEADMP Cc1ccn2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cnc2c1 ZINC000449556191 282281944 /nfs/dbraw/zinc/28/19/44/282281944.db2.gz LGUQRKHDXDUACI-GOOCMWNKSA-N 2 1 284.407 2.358 20 0 CEADMP Cc1ccn2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cnc2c1 ZINC000449556191 282281948 /nfs/dbraw/zinc/28/19/48/282281948.db2.gz LGUQRKHDXDUACI-GOOCMWNKSA-N 2 1 284.407 2.358 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000336731974 365789923 /nfs/dbraw/zinc/78/99/23/365789923.db2.gz RTELZLNBGHWIPX-LBPRGKRZSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000336731974 365789927 /nfs/dbraw/zinc/78/99/27/365789927.db2.gz RTELZLNBGHWIPX-LBPRGKRZSA-N 2 1 251.374 2.081 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNc1cc[nH+]c(C)c1Cl ZINC000336730112 365790597 /nfs/dbraw/zinc/79/05/97/365790597.db2.gz XVDCVMUZMVEZDZ-LLVKDONJSA-N 2 1 253.777 2.362 20 0 CEADMP COCCCOC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351471507 219098900 /nfs/dbraw/zinc/09/89/00/219098900.db2.gz JYVPXMXBZVVWCG-INIZCTEOSA-N 2 1 298.471 2.378 20 0 CEADMP COC(=O)c1coc([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000602022006 346962401 /nfs/dbraw/zinc/96/24/01/346962401.db2.gz QXNOHAIUBZTJFQ-WCQYABFASA-N 2 1 294.395 2.495 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000069753984 343790986 /nfs/dbraw/zinc/79/09/86/343790986.db2.gz QXSQQNUHOLPEJN-UHFFFAOYSA-N 2 1 287.363 2.143 20 0 CEADMP CCc1nc(N[C@H](C)C[N@H+](C)C(C)C)cc(C)[nH+]1 ZINC000290563495 197751303 /nfs/dbraw/zinc/75/13/03/197751303.db2.gz APAKIUSTKNGFAU-GFCCVEGCSA-N 2 1 250.390 2.488 20 0 CEADMP CCc1nc(N[C@H](C)C[N@@H+](C)C(C)C)cc(C)[nH+]1 ZINC000290563495 197751305 /nfs/dbraw/zinc/75/13/05/197751305.db2.gz APAKIUSTKNGFAU-GFCCVEGCSA-N 2 1 250.390 2.488 20 0 CEADMP CCCCC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351541663 219120763 /nfs/dbraw/zinc/12/07/63/219120763.db2.gz XOULSAZRFBKOEE-HZPDHXFCSA-N 2 1 268.445 2.486 20 0 CEADMP CCCCC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351541663 219120765 /nfs/dbraw/zinc/12/07/65/219120765.db2.gz XOULSAZRFBKOEE-HZPDHXFCSA-N 2 1 268.445 2.486 20 0 CEADMP CCCCC[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351541663 219120766 /nfs/dbraw/zinc/12/07/66/219120766.db2.gz XOULSAZRFBKOEE-HZPDHXFCSA-N 2 1 268.445 2.486 20 0 CEADMP CCCCC[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351541663 219120768 /nfs/dbraw/zinc/12/07/68/219120768.db2.gz XOULSAZRFBKOEE-HZPDHXFCSA-N 2 1 268.445 2.486 20 0 CEADMP CC[NH+]1CCC([NH2+]CCOc2cccc(C)c2)CC1 ZINC000048437008 362270787 /nfs/dbraw/zinc/27/07/87/362270787.db2.gz GSAYHVBDZVUZMM-UHFFFAOYSA-N 2 1 262.397 2.448 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccccc2)C1 ZINC000081516388 344055265 /nfs/dbraw/zinc/05/52/65/344055265.db2.gz CMJNBPMCHUQZBM-WBVHZDCISA-N 2 1 276.424 2.384 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccccc2)C1 ZINC000081516388 344055269 /nfs/dbraw/zinc/05/52/69/344055269.db2.gz CMJNBPMCHUQZBM-WBVHZDCISA-N 2 1 276.424 2.384 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000081516388 344055275 /nfs/dbraw/zinc/05/52/75/344055275.db2.gz CMJNBPMCHUQZBM-WBVHZDCISA-N 2 1 276.424 2.384 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000081516388 344055279 /nfs/dbraw/zinc/05/52/79/344055279.db2.gz CMJNBPMCHUQZBM-WBVHZDCISA-N 2 1 276.424 2.384 20 0 CEADMP C[N@@H+](CCCOCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049313092 362352305 /nfs/dbraw/zinc/35/23/05/362352305.db2.gz UCDLJRGPPCWNDF-FOSCPWQOSA-N 2 1 280.334 2.170 20 0 CEADMP Cc1ncsc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043594 344176223 /nfs/dbraw/zinc/17/62/23/344176223.db2.gz BSCFCBXVBSGVJA-CHWSQXEVSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncsc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043594 344176226 /nfs/dbraw/zinc/17/62/26/344176226.db2.gz BSCFCBXVBSGVJA-CHWSQXEVSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncsc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043594 344176229 /nfs/dbraw/zinc/17/62/29/344176229.db2.gz BSCFCBXVBSGVJA-CHWSQXEVSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncsc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043594 344176233 /nfs/dbraw/zinc/17/62/33/344176233.db2.gz BSCFCBXVBSGVJA-CHWSQXEVSA-N 2 1 265.426 2.368 20 0 CEADMP CCc1ccc([C@H](CO)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000090843849 344144288 /nfs/dbraw/zinc/14/42/88/344144288.db2.gz MABIXYWDQCOZCU-KURKYZTESA-N 2 1 288.435 2.499 20 0 CEADMP CCc1ccc([C@H](CO)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000090843849 344144289 /nfs/dbraw/zinc/14/42/89/344144289.db2.gz MABIXYWDQCOZCU-KURKYZTESA-N 2 1 288.435 2.499 20 0 CEADMP CCCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093214289 344216475 /nfs/dbraw/zinc/21/64/75/344216475.db2.gz QSKHTILTDHYTGV-ZFWWWQNUSA-N 3 1 253.434 2.110 20 0 CEADMP C[NH2+]CCC[N@H+](C)CCOc1cc(C)ccc1C ZINC000124900507 529964501 /nfs/dbraw/zinc/96/45/01/529964501.db2.gz GSLJDEBMHYXNHC-UHFFFAOYSA-N 2 1 250.386 2.224 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCOc1cc(C)ccc1C ZINC000124900507 529964503 /nfs/dbraw/zinc/96/45/03/529964503.db2.gz GSLJDEBMHYXNHC-UHFFFAOYSA-N 2 1 250.386 2.224 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]([NH3+])C[C@@H]2C)c1C ZINC000124589352 344315764 /nfs/dbraw/zinc/31/57/64/344315764.db2.gz WTWNZSDAPHYDJC-WCQYABFASA-N 2 1 263.385 2.019 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(C(=O)OC)cc2)CC[C@@H]1[NH3+] ZINC000122340713 344305923 /nfs/dbraw/zinc/30/59/23/344305923.db2.gz ZCDLOPOMXDKVBL-HIFRSBDPSA-N 2 1 276.380 2.032 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000414846247 529999117 /nfs/dbraw/zinc/99/91/17/529999117.db2.gz ULMQUBTYNCKYQV-JTQLQIEISA-N 2 1 255.431 2.386 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000313780001 344743265 /nfs/dbraw/zinc/74/32/65/344743265.db2.gz QHXHLKNVZFLHLE-CVEARBPZSA-N 2 1 295.471 2.131 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000313780002 344743355 /nfs/dbraw/zinc/74/33/55/344743355.db2.gz QHXHLKNVZFLHLE-HOTGVXAUSA-N 2 1 295.471 2.131 20 0 CEADMP COC(=O)C1CCC([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC000449783883 282366220 /nfs/dbraw/zinc/36/62/20/282366220.db2.gz SKAMCCHFWYJSFV-UHFFFAOYSA-N 2 1 282.428 2.182 20 0 CEADMP COC(=O)C1CCC([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC000449783883 282366223 /nfs/dbraw/zinc/36/62/23/282366223.db2.gz SKAMCCHFWYJSFV-UHFFFAOYSA-N 2 1 282.428 2.182 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(Cl)s1 ZINC000401759235 344869808 /nfs/dbraw/zinc/86/98/08/344869808.db2.gz TYJSIQRMCHPPFZ-UHFFFAOYSA-N 2 1 255.774 2.467 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)n(-c2cc[nH+]cc2)n1 ZINC000668113962 539419353 /nfs/dbraw/zinc/41/93/53/539419353.db2.gz FVNBNHLAOZUNLW-SJORKVTESA-N 2 1 298.390 2.411 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000128708684 365802922 /nfs/dbraw/zinc/80/29/22/365802922.db2.gz OZXIYKKEGPITCD-ZBFHGGJFSA-N 2 1 262.397 2.385 20 0 CEADMP CS[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](SC)C2)C1 ZINC000590750040 345173853 /nfs/dbraw/zinc/17/38/53/345173853.db2.gz PYTACVXRMWQPEY-JHZNUDOXSA-N 2 1 286.510 2.417 20 0 CEADMP Cc1noc([C@H](C)N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000590786312 345180928 /nfs/dbraw/zinc/18/09/28/345180928.db2.gz PMCLHODJIQRXSD-LBPRGKRZSA-N 2 1 280.416 2.491 20 0 CEADMP Cc1noc([C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000590786312 345180932 /nfs/dbraw/zinc/18/09/32/345180932.db2.gz PMCLHODJIQRXSD-LBPRGKRZSA-N 2 1 280.416 2.491 20 0 CEADMP Cc1noc([C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000590786312 345180935 /nfs/dbraw/zinc/18/09/35/345180935.db2.gz PMCLHODJIQRXSD-LBPRGKRZSA-N 2 1 280.416 2.491 20 0 CEADMP CCSCC[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000590602183 345151185 /nfs/dbraw/zinc/15/11/85/345151185.db2.gz GPCWPLCYGWGWBZ-KGLIPLIRSA-N 2 1 276.490 2.151 20 0 CEADMP CCSCC[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000590602183 345151188 /nfs/dbraw/zinc/15/11/88/345151188.db2.gz GPCWPLCYGWGWBZ-KGLIPLIRSA-N 2 1 276.490 2.151 20 0 CEADMP CCSCC[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000590602183 345151189 /nfs/dbraw/zinc/15/11/89/345151189.db2.gz GPCWPLCYGWGWBZ-KGLIPLIRSA-N 2 1 276.490 2.151 20 0 CEADMP CC(C)SCC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000591767150 345279397 /nfs/dbraw/zinc/27/93/97/345279397.db2.gz KQQMJYDLSLLYAJ-INIZCTEOSA-N 2 1 296.480 2.211 20 0 CEADMP CC(C)SCC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000591767150 345279402 /nfs/dbraw/zinc/27/94/02/345279402.db2.gz KQQMJYDLSLLYAJ-INIZCTEOSA-N 2 1 296.480 2.211 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591866982 345289723 /nfs/dbraw/zinc/28/97/23/345289723.db2.gz LHPBHTONORIDPF-ZFWWWQNUSA-N 2 1 292.427 2.213 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)N1CCC[C@H](n2ccnc2)C1 ZINC000591866982 345289725 /nfs/dbraw/zinc/28/97/25/345289725.db2.gz LHPBHTONORIDPF-ZFWWWQNUSA-N 2 1 292.427 2.213 20 0 CEADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591867711 345289794 /nfs/dbraw/zinc/28/97/94/345289794.db2.gz RVEICPAWOWRJNA-ZIAGYGMSSA-N 2 1 292.427 2.213 20 0 CEADMP CCC(C)(C)NC(=O)[C@@H](C)N1CCC[C@@H](n2ccnc2)C1 ZINC000591867711 345289796 /nfs/dbraw/zinc/28/97/96/345289796.db2.gz RVEICPAWOWRJNA-ZIAGYGMSSA-N 2 1 292.427 2.213 20 0 CEADMP COC(=O)c1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000592424375 345351758 /nfs/dbraw/zinc/35/17/58/345351758.db2.gz MUUAKZPOSAAHNJ-UHFFFAOYSA-N 2 1 288.391 2.190 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000592424375 345351761 /nfs/dbraw/zinc/35/17/61/345351761.db2.gz MUUAKZPOSAAHNJ-UHFFFAOYSA-N 2 1 288.391 2.190 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592425573 345351961 /nfs/dbraw/zinc/35/19/61/345351961.db2.gz JJEYLYLTINCGHA-UONOGXRCSA-N 2 1 282.428 2.040 20 0 CEADMP COC(=O)CC1(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000592491894 345360423 /nfs/dbraw/zinc/36/04/23/345360423.db2.gz PVYRGMOEENETMK-HUUCEWRRSA-N 2 1 294.439 2.041 20 0 CEADMP Cc1[nH+]ccn1CCN(CC(=O)OC(C)(C)C)CC1CC1 ZINC000593072310 345433809 /nfs/dbraw/zinc/43/38/09/345433809.db2.gz XAUYAZRMVSHANH-UHFFFAOYSA-N 2 1 293.411 2.245 20 0 CEADMP COc1cc(C)ccc1C[NH2+]CCc1c[nH+]cn1C ZINC000623086088 349933890 /nfs/dbraw/zinc/93/38/90/349933890.db2.gz WMSUJEVQIHXDED-UHFFFAOYSA-N 2 1 259.353 2.069 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(C)(C)CC(=O)OC)C1 ZINC000595017055 345727605 /nfs/dbraw/zinc/72/76/05/345727605.db2.gz YTWBFDWGUSBEDS-UONOGXRCSA-N 2 1 284.444 2.286 20 0 CEADMP C[C@H](CSCCF)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000595050461 345734713 /nfs/dbraw/zinc/73/47/13/345734713.db2.gz IQJGIZVYRKKETR-ODWCKFRGSA-N 2 1 260.422 2.292 20 0 CEADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCSC(C)C)CC1 ZINC000595512542 345800841 /nfs/dbraw/zinc/80/08/41/345800841.db2.gz PNRAMSMHPSVZDF-UHFFFAOYSA-N 2 1 288.501 2.201 20 0 CEADMP C[C@H](O)C[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000162039595 232256240 /nfs/dbraw/zinc/25/62/40/232256240.db2.gz MJEFRQUGWKEFBM-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901443 345910136 /nfs/dbraw/zinc/91/01/36/345910136.db2.gz WGFZFZPYRWGVPU-MRXNPFEDSA-N 2 1 296.455 2.431 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CSCCF)C1 ZINC000597130491 346132665 /nfs/dbraw/zinc/13/26/65/346132665.db2.gz RCOGXTIKUOOBMN-STQMWFEESA-N 2 1 262.438 2.398 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)CC2CN(C)C2)cc1Cl ZINC000597204379 346148374 /nfs/dbraw/zinc/14/83/74/346148374.db2.gz AUQIVVVWZKOMNA-UHFFFAOYSA-N 2 1 296.798 2.120 20 0 CEADMP COC(=O)c1ccc(CN(C)CC2C[NH+](C)C2)cc1Cl ZINC000597204379 346148375 /nfs/dbraw/zinc/14/83/75/346148375.db2.gz AUQIVVVWZKOMNA-UHFFFAOYSA-N 2 1 296.798 2.120 20 0 CEADMP Cc1cccc(N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000062910876 362732654 /nfs/dbraw/zinc/73/26/54/362732654.db2.gz XTVKITHZVGPMLS-KRWDZBQOSA-N 2 1 273.424 2.117 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC[NH+](C)CC1 ZINC000598973674 346439926 /nfs/dbraw/zinc/43/99/26/346439926.db2.gz GEOGPZUZIHOHKF-CQSZACIVSA-N 3 1 299.528 2.276 20 0 CEADMP CSC1(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)CC[NH+](C)CC1 ZINC000598973674 346439930 /nfs/dbraw/zinc/43/99/30/346439930.db2.gz GEOGPZUZIHOHKF-CQSZACIVSA-N 2 1 299.528 2.276 20 0 CEADMP COCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCC1 ZINC000336794676 365816616 /nfs/dbraw/zinc/81/66/16/365816616.db2.gz DVFTZWMKOXEVKJ-MELADBBJSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000063467393 362767589 /nfs/dbraw/zinc/76/75/89/362767589.db2.gz DCTHIPLPKRGRRD-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP COC(=O)[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H]2CCC[C@@H]21 ZINC000599654079 346555725 /nfs/dbraw/zinc/55/57/25/346555725.db2.gz LKJBZMXWVUWKQO-JJXSEGSLSA-N 2 1 294.439 2.134 20 0 CEADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H]2CCC[C@@H]21 ZINC000599654079 346555728 /nfs/dbraw/zinc/55/57/28/346555728.db2.gz LKJBZMXWVUWKQO-JJXSEGSLSA-N 2 1 294.439 2.134 20 0 CEADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H]2CCC[C@@H]21 ZINC000599654079 346555729 /nfs/dbraw/zinc/55/57/29/346555729.db2.gz LKJBZMXWVUWKQO-JJXSEGSLSA-N 2 1 294.439 2.134 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCCCO2)C1 ZINC000336800334 365829356 /nfs/dbraw/zinc/82/93/56/365829356.db2.gz LUKIGAUSRRTOQI-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000336800334 365829361 /nfs/dbraw/zinc/82/93/61/365829361.db2.gz LUKIGAUSRRTOQI-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000336800334 365829367 /nfs/dbraw/zinc/82/93/67/365829367.db2.gz LUKIGAUSRRTOQI-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CCC[NH+]1CCCC1 ZINC000351762133 219198450 /nfs/dbraw/zinc/19/84/50/219198450.db2.gz XKWDTIVGYADRCM-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccccc1 ZINC000128434954 187370205 /nfs/dbraw/zinc/37/02/05/187370205.db2.gz BHCXHAQYKDHPCN-HNNXBMFYSA-N 2 1 277.412 2.320 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000459475437 290158958 /nfs/dbraw/zinc/15/89/58/290158958.db2.gz GDYPFRFRGCWYLQ-UHFFFAOYSA-N 2 1 296.842 2.319 20 0 CEADMP C[N@H+]1CC[C@]2(CCN([C@@H](C(=O)OC(C)(C)C)C3CC3)C2)C1 ZINC000602843033 347221812 /nfs/dbraw/zinc/22/18/12/347221812.db2.gz YFJFYPRDBRZONN-PBHICJAKSA-N 2 1 294.439 2.134 20 0 CEADMP C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876215 347234844 /nfs/dbraw/zinc/23/48/44/347234844.db2.gz GAQRDYUZCHLWFC-ZDUSSCGKSA-N 2 1 282.428 2.134 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCn2nc(C)cc2C)[C@H](C)C1 ZINC000336825234 365885715 /nfs/dbraw/zinc/88/57/15/365885715.db2.gz XRSFUJGQLKRYPK-CJNGLKHVSA-N 2 1 278.444 2.162 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCn2nc(C)cc2C)[C@H](C)C1 ZINC000336825234 365885723 /nfs/dbraw/zinc/88/57/23/365885723.db2.gz XRSFUJGQLKRYPK-CJNGLKHVSA-N 2 1 278.444 2.162 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2nc(C)cc2C)[C@H](C)C1 ZINC000336825234 365885732 /nfs/dbraw/zinc/88/57/32/365885732.db2.gz XRSFUJGQLKRYPK-CJNGLKHVSA-N 2 1 278.444 2.162 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000568518500 299142421 /nfs/dbraw/zinc/14/24/21/299142421.db2.gz FDFSKMZMTWSPDE-BRWVUGGUSA-N 2 1 280.456 2.345 20 0 CEADMP Cc1ccccc1OCCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351852365 219226600 /nfs/dbraw/zinc/22/66/00/219226600.db2.gz NEXTVGRBAYXONX-CABCVRRESA-N 2 1 262.397 2.433 20 0 CEADMP C/C(Cl)=C/C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000528389022 313249029 /nfs/dbraw/zinc/24/90/29/313249029.db2.gz KOKLRHUCOCIDKM-PSGIOISBSA-N 2 1 285.863 2.229 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCC[C@H]1O ZINC000336886453 365934196 /nfs/dbraw/zinc/93/41/96/365934196.db2.gz BVIGZLSKLNIKAQ-OWCLPIDISA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCCC[C@H]1O ZINC000336886453 365934205 /nfs/dbraw/zinc/93/42/05/365934205.db2.gz BVIGZLSKLNIKAQ-OWCLPIDISA-N 2 1 268.445 2.344 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000874840903 649849655 /nfs/dbraw/zinc/84/96/55/649849655.db2.gz RWSRYZCCGTXERY-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874840903 649849657 /nfs/dbraw/zinc/84/96/57/649849657.db2.gz RWSRYZCCGTXERY-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874840903 649849660 /nfs/dbraw/zinc/84/96/60/649849660.db2.gz RWSRYZCCGTXERY-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1CCC[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000532481348 313348902 /nfs/dbraw/zinc/34/89/02/313348902.db2.gz AVQGKHNCJJKLNG-SJORKVTESA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@]1(c2ccccc2)CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357066848 233002127 /nfs/dbraw/zinc/00/21/27/233002127.db2.gz CSZOHYLTWCWFSD-MRXNPFEDSA-N 2 1 262.397 2.015 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc3nccn32)C1 ZINC000459723918 290217373 /nfs/dbraw/zinc/21/73/73/290217373.db2.gz DISBSTAZHKCIKK-CQSZACIVSA-N 2 1 272.396 2.156 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CCC3(CCC[N@@H+]3C)CC2)CCO1 ZINC000335497013 539635074 /nfs/dbraw/zinc/63/50/74/539635074.db2.gz WSQKMOGSCQKJCQ-ZIAGYGMSSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CCC3(CCC[N@H+]3C)CC2)CCO1 ZINC000335497013 539635078 /nfs/dbraw/zinc/63/50/78/539635078.db2.gz WSQKMOGSCQKJCQ-ZIAGYGMSSA-N 2 1 252.402 2.114 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000339072749 539657816 /nfs/dbraw/zinc/65/78/16/539657816.db2.gz XLCNRSFWQYIMCX-HRCADAONSA-N 2 1 266.429 2.144 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339072110 539658244 /nfs/dbraw/zinc/65/82/44/539658244.db2.gz TULBXZOALZOVNK-ZACQAIPSSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339072110 539658248 /nfs/dbraw/zinc/65/82/48/539658248.db2.gz TULBXZOALZOVNK-ZACQAIPSSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339072110 539658249 /nfs/dbraw/zinc/65/82/49/539658249.db2.gz TULBXZOALZOVNK-ZACQAIPSSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339072110 539658254 /nfs/dbraw/zinc/65/82/54/539658254.db2.gz TULBXZOALZOVNK-ZACQAIPSSA-N 3 1 279.472 2.323 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339072110 539658256 /nfs/dbraw/zinc/65/82/56/539658256.db2.gz TULBXZOALZOVNK-ZACQAIPSSA-N 3 1 279.472 2.323 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339072110 539658260 /nfs/dbraw/zinc/65/82/60/539658260.db2.gz TULBXZOALZOVNK-ZACQAIPSSA-N 3 1 279.472 2.323 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339072110 539658262 /nfs/dbraw/zinc/65/82/62/539658262.db2.gz TULBXZOALZOVNK-ZACQAIPSSA-N 3 1 279.472 2.323 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617346227 348685297 /nfs/dbraw/zinc/68/52/97/348685297.db2.gz PXYGZPNJKCHRMB-STQMWFEESA-N 2 1 283.460 2.142 20 0 CEADMP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@@H+](CC)C1)[NH+](CC)CC ZINC000617928686 348828407 /nfs/dbraw/zinc/82/84/07/348828407.db2.gz UIXAPPBCNSQMKF-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)C1(CO)CCCC1 ZINC000459521090 539693702 /nfs/dbraw/zinc/69/37/02/539693702.db2.gz CZMXQWVBOARMII-HNNXBMFYSA-N 2 1 279.428 2.130 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000358253466 539696219 /nfs/dbraw/zinc/69/62/19/539696219.db2.gz PGYYPWLWXPACQJ-WWGRRREGSA-N 2 1 288.439 2.215 20 0 CEADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411233990 233232167 /nfs/dbraw/zinc/23/21/67/233232167.db2.gz DFKQMHUPWALCQE-QGZVFWFLSA-N 2 1 274.408 2.239 20 0 CEADMP Cc1[nH]nc2ncc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cc12 ZINC000620760032 349430576 /nfs/dbraw/zinc/43/05/76/349430576.db2.gz YTSODANKTZKNEW-UHFFFAOYSA-N 2 1 299.422 2.373 20 0 CEADMP C[C@@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623381665 350005562 /nfs/dbraw/zinc/00/55/62/350005562.db2.gz ADRIFPPEBGQENX-QWRGUYRKSA-N 2 1 282.350 2.416 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623412891 350012871 /nfs/dbraw/zinc/01/28/71/350012871.db2.gz BKAZGSBBHLDUMW-HUUCEWRRSA-N 2 1 267.461 2.323 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623412891 350012873 /nfs/dbraw/zinc/01/28/73/350012873.db2.gz BKAZGSBBHLDUMW-HUUCEWRRSA-N 2 1 267.461 2.323 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623412891 350012877 /nfs/dbraw/zinc/01/28/77/350012877.db2.gz BKAZGSBBHLDUMW-HUUCEWRRSA-N 2 1 267.461 2.323 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)CC1(C)C ZINC000623448864 350022886 /nfs/dbraw/zinc/02/28/86/350022886.db2.gz DDQINQVCAWVFAO-GBJTYRQASA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623481249 350030723 /nfs/dbraw/zinc/03/07/23/350030723.db2.gz VXLOYYLXDSOPBM-MGPQQGTHSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623510874 350038478 /nfs/dbraw/zinc/03/84/78/350038478.db2.gz OTOKEEQTZBKCNG-OAHLLOKOSA-N 2 1 261.413 2.395 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623528562 350041392 /nfs/dbraw/zinc/04/13/92/350041392.db2.gz TXFDYTBFMBUUJK-KGLIPLIRSA-N 2 1 255.450 2.178 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623528562 350041394 /nfs/dbraw/zinc/04/13/94/350041394.db2.gz TXFDYTBFMBUUJK-KGLIPLIRSA-N 2 1 255.450 2.178 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623528562 350041396 /nfs/dbraw/zinc/04/13/96/350041396.db2.gz TXFDYTBFMBUUJK-KGLIPLIRSA-N 2 1 255.450 2.178 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)CC1(C)C ZINC000623530477 350042578 /nfs/dbraw/zinc/04/25/78/350042578.db2.gz ZUUNLGFVDBHCNY-GMXVVIOVSA-N 2 1 294.361 2.295 20 0 CEADMP C[C@H](COCC1CC1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623559946 350050395 /nfs/dbraw/zinc/05/03/95/350050395.db2.gz PUUGBPDQNSUXLV-OCCSQVGLSA-N 2 1 254.418 2.264 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000250499605 539748501 /nfs/dbraw/zinc/74/85/01/539748501.db2.gz KQYBZIQFCXEDKM-QLFBSQMISA-N 2 1 254.418 2.264 20 0 CEADMP Cc1csc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC000623891011 350135998 /nfs/dbraw/zinc/13/59/98/350135998.db2.gz ANGOGTOJTYMQPS-KBPBESRZSA-N 2 1 297.468 2.339 20 0 CEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000235137846 539757413 /nfs/dbraw/zinc/75/74/13/539757413.db2.gz UHPCDLQHDLEZOS-WFASDCNBSA-N 2 1 250.361 2.488 20 0 CEADMP Cc1cc(CO)cc(N[C@H](C)C2CC[NH+](C)CC2)[nH+]1 ZINC000623968553 350158260 /nfs/dbraw/zinc/15/82/60/350158260.db2.gz GMHDOTUEBOOKFQ-GFCCVEGCSA-N 2 1 263.385 2.025 20 0 CEADMP CCC[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)OCC ZINC000624051025 350179448 /nfs/dbraw/zinc/17/94/48/350179448.db2.gz PQAZXHRJTWOBLU-HOTGVXAUSA-N 2 1 284.444 2.035 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+](C)C2)[C@H](C)C1 ZINC000624120599 350198297 /nfs/dbraw/zinc/19/82/97/350198297.db2.gz CEFGODQWXONWJJ-PMPSAXMXSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+](C)C2)[C@H](C)C1 ZINC000624120599 350198301 /nfs/dbraw/zinc/19/83/01/350198301.db2.gz CEFGODQWXONWJJ-PMPSAXMXSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+](C)C2)[C@H](C)C1 ZINC000624120599 350198305 /nfs/dbraw/zinc/19/83/05/350198305.db2.gz CEFGODQWXONWJJ-PMPSAXMXSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](C)C2)[C@H](C)C1 ZINC000624120599 350198308 /nfs/dbraw/zinc/19/83/08/350198308.db2.gz CEFGODQWXONWJJ-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH+](C)C2)[C@H](C)C1 ZINC000624120599 350198311 /nfs/dbraw/zinc/19/83/11/350198311.db2.gz CEFGODQWXONWJJ-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)[C@H](C)C1 ZINC000624120599 350198314 /nfs/dbraw/zinc/19/83/14/350198314.db2.gz CEFGODQWXONWJJ-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)[C@H](C)C1 ZINC000624120599 350198317 /nfs/dbraw/zinc/19/83/17/350198317.db2.gz CEFGODQWXONWJJ-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121999 350200033 /nfs/dbraw/zinc/20/00/33/350200033.db2.gz HOEQHXTUCPBKSY-YPMHNXCESA-N 2 1 250.390 2.101 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121999 350200035 /nfs/dbraw/zinc/20/00/35/350200035.db2.gz HOEQHXTUCPBKSY-YPMHNXCESA-N 2 1 250.390 2.101 20 0 CEADMP COC1([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CCC1 ZINC000624124165 350201222 /nfs/dbraw/zinc/20/12/22/350201222.db2.gz YUIKQKJLEQDHHA-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H]1CCCCO1 ZINC000624123205 350201385 /nfs/dbraw/zinc/20/13/85/350201385.db2.gz IBRPHVNWOKQEFP-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000091666215 180222399 /nfs/dbraw/zinc/22/23/99/180222399.db2.gz LHWKUKGNNURFIJ-DJIMGWMZSA-N 2 1 274.408 2.243 20 0 CEADMP C[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000091666215 180222401 /nfs/dbraw/zinc/22/24/01/180222401.db2.gz LHWKUKGNNURFIJ-DJIMGWMZSA-N 2 1 274.408 2.243 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cn[nH]c2)C1 ZINC000624214253 350230835 /nfs/dbraw/zinc/23/08/35/350230835.db2.gz WQPGWRMZZPKYGM-OKILXGFUSA-N 2 1 264.417 2.257 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188535 350223515 /nfs/dbraw/zinc/22/35/15/350223515.db2.gz UHZNNXLEVNOFKQ-HOCLYGCPSA-N 2 1 288.439 2.404 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000352177830 219346243 /nfs/dbraw/zinc/34/62/43/219346243.db2.gz GPQZGQBJVFIFFD-HOTGVXAUSA-N 2 1 297.487 2.390 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)c(F)c2)CC[NH2+]1 ZINC000335635950 212350546 /nfs/dbraw/zinc/35/05/46/212350546.db2.gz AQEXVLKIEAIGBN-SCZZXKLOSA-N 2 1 258.287 2.334 20 0 CEADMP CCn1nccc1CN(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000130488446 365962067 /nfs/dbraw/zinc/96/20/67/365962067.db2.gz IOIRFCHEVQWVJA-DZGCQCFKSA-N 2 1 264.417 2.065 20 0 CEADMP C[N@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000107788599 186191479 /nfs/dbraw/zinc/19/14/79/186191479.db2.gz SEAOINFXDDGFDS-SFHVURJKSA-N 2 1 287.451 2.335 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn2ccccc2n1 ZINC000130557367 365967170 /nfs/dbraw/zinc/96/71/70/365967170.db2.gz NGOUGICHKBZXNI-UHFFFAOYSA-N 2 1 283.379 2.361 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn2ccccc2n1 ZINC000130557367 365967178 /nfs/dbraw/zinc/96/71/78/365967178.db2.gz NGOUGICHKBZXNI-UHFFFAOYSA-N 2 1 283.379 2.361 20 0 CEADMP C[C@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1C ZINC000251744573 539801362 /nfs/dbraw/zinc/80/13/62/539801362.db2.gz CXXSUSQJFOORFA-MGLUKCQKSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@H]1C[C@@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1C ZINC000251744573 539801364 /nfs/dbraw/zinc/80/13/64/539801364.db2.gz CXXSUSQJFOORFA-MGLUKCQKSA-N 2 1 265.445 2.074 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000469855886 290273207 /nfs/dbraw/zinc/27/32/07/290273207.db2.gz KWERREXJGGBFAU-MCIONIFRSA-N 2 1 262.397 2.468 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130912083 366004647 /nfs/dbraw/zinc/00/46/47/366004647.db2.gz KTFNSVJDAUYTRN-ZNMIVQPWSA-N 2 1 282.428 2.169 20 0 CEADMP CCN(CC[NH3+])C(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000627107695 350835006 /nfs/dbraw/zinc/83/50/06/350835006.db2.gz BFJRFLHUMWDZPE-UHFFFAOYSA-N 2 1 298.475 2.021 20 0 CEADMP Cc1nc(C)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)o1 ZINC000628281066 351040394 /nfs/dbraw/zinc/04/03/94/351040394.db2.gz YMOIEOBYUVBVHH-KBPBESRZSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)o1 ZINC000628281066 351040397 /nfs/dbraw/zinc/04/03/97/351040397.db2.gz YMOIEOBYUVBVHH-KBPBESRZSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000628281066 351040399 /nfs/dbraw/zinc/04/03/99/351040399.db2.gz YMOIEOBYUVBVHH-KBPBESRZSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000628281066 351040401 /nfs/dbraw/zinc/04/04/01/351040401.db2.gz YMOIEOBYUVBVHH-KBPBESRZSA-N 2 1 263.385 2.208 20 0 CEADMP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)C1 ZINC000628352089 351075738 /nfs/dbraw/zinc/07/57/38/351075738.db2.gz XDLOSGUYNZXVBF-QGZVFWFLSA-N 2 1 299.418 2.199 20 0 CEADMP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)C1 ZINC000628352089 351075740 /nfs/dbraw/zinc/07/57/40/351075740.db2.gz XDLOSGUYNZXVBF-QGZVFWFLSA-N 2 1 299.418 2.199 20 0 CEADMP CC(C)n1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000069989323 363017713 /nfs/dbraw/zinc/01/77/13/363017713.db2.gz CFFBOXAMRXUJQO-MRXNPFEDSA-N 2 1 276.428 2.428 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000569062659 299176379 /nfs/dbraw/zinc/17/63/79/299176379.db2.gz JGIHDYZLDOYOSG-MRXNPFEDSA-N 2 1 270.380 2.489 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(CC)CC ZINC000629543917 351404842 /nfs/dbraw/zinc/40/48/42/351404842.db2.gz FRAWRAUZTKHKMB-DGAVXFQQSA-N 2 1 254.418 2.310 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000629516603 351384955 /nfs/dbraw/zinc/38/49/55/351384955.db2.gz LNHURPZKJWWUFN-BZUAXINKSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccn1 ZINC000629523371 351388855 /nfs/dbraw/zinc/38/88/55/351388855.db2.gz FVTAMALUQYFRPJ-HNNXBMFYSA-N 2 1 277.412 2.266 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2CC)C12CCC2 ZINC000629527315 351390980 /nfs/dbraw/zinc/39/09/80/351390980.db2.gz RMZXNNDNEAIUNY-REWJHTLYSA-N 2 1 252.402 2.064 20 0 CEADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000629531739 351395840 /nfs/dbraw/zinc/39/58/40/351395840.db2.gz WHSWQEVTMACSRR-RYUDHWBXSA-N 2 1 278.387 2.415 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C[C@H]1OC ZINC000629534732 351398206 /nfs/dbraw/zinc/39/82/06/351398206.db2.gz AVKXBZJJPCUOPI-REWJHTLYSA-N 2 1 254.418 2.310 20 0 CEADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629394660 351348070 /nfs/dbraw/zinc/34/80/70/351348070.db2.gz KJFJLOZCWVOWPT-IPYPFGDCSA-N 2 1 290.407 2.467 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)Cc1ccccc1OC ZINC000629391059 351348429 /nfs/dbraw/zinc/34/84/29/351348429.db2.gz TYTXYNVZNJJHFE-VHDGCEQUSA-N 2 1 262.397 2.356 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)C2 ZINC000629543316 351403550 /nfs/dbraw/zinc/40/35/50/351403550.db2.gz YLZKFEOBHWOFOV-QEJZJMRPSA-N 2 1 274.408 2.283 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C[NH2+]1 ZINC000629543237 351403566 /nfs/dbraw/zinc/40/35/66/351403566.db2.gz WLQUGDSSLQMAJH-IBEHDNSVSA-N 2 1 266.429 2.312 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C[NH2+]1 ZINC000629413676 351355592 /nfs/dbraw/zinc/35/55/92/351355592.db2.gz OIGCQSRFDFQOEF-HIFRSBDPSA-N 2 1 266.429 2.456 20 0 CEADMP COc1cccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629595233 351426481 /nfs/dbraw/zinc/42/64/81/351426481.db2.gz OGCBMIUMMMPKTM-IYBDPMFKSA-N 2 1 260.381 2.127 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629595233 351426482 /nfs/dbraw/zinc/42/64/82/351426482.db2.gz OGCBMIUMMMPKTM-IYBDPMFKSA-N 2 1 260.381 2.127 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)C/C=C/c1ccc(F)cc1F ZINC000629654871 351452349 /nfs/dbraw/zinc/45/23/49/351452349.db2.gz SXPIKNYZANEKCE-ONEGZZNKSA-N 2 1 284.350 2.146 20 0 CEADMP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629546844 351407511 /nfs/dbraw/zinc/40/75/11/351407511.db2.gz XYTAGAARNMRDIR-REWJHTLYSA-N 2 1 254.418 2.166 20 0 CEADMP CCO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)C1CC1 ZINC000629550656 351410357 /nfs/dbraw/zinc/41/03/57/351410357.db2.gz ZUNKPQALWMRRGY-WCXIOVBPSA-N 2 1 296.455 2.162 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CC[C@@H]1C(F)(F)F ZINC000629564586 351416175 /nfs/dbraw/zinc/41/61/75/351416175.db2.gz STMLRVWUNJRPOE-WOPDTQHZSA-N 2 1 280.334 2.015 20 0 CEADMP CC(C)CC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629567070 351417851 /nfs/dbraw/zinc/41/78/51/351417851.db2.gz VEAWRABJFNVPFN-MNOVXSKESA-N 2 1 252.324 2.492 20 0 CEADMP Cc1ccc(SCC[N@@H+](C)CCOCC[NH3+])cc1C ZINC000629577542 351420240 /nfs/dbraw/zinc/42/02/40/351420240.db2.gz CNIAJXIGILGBHD-UHFFFAOYSA-N 2 1 282.453 2.303 20 0 CEADMP O=c1ccc([C@@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)n[nH]1 ZINC000629580455 351422008 /nfs/dbraw/zinc/42/20/08/351422008.db2.gz CKGZDNJALXFWAC-HNNXBMFYSA-N 2 1 290.411 2.099 20 0 CEADMP COc1ccc(OCC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629584189 351423044 /nfs/dbraw/zinc/42/30/44/351423044.db2.gz MMDATPREMQWJJS-CALCHBBNSA-N 2 1 290.407 2.005 20 0 CEADMP COc1ccc(OCC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629584189 351423050 /nfs/dbraw/zinc/42/30/50/351423050.db2.gz MMDATPREMQWJJS-CALCHBBNSA-N 2 1 290.407 2.005 20 0 CEADMP Cc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170839 363043767 /nfs/dbraw/zinc/04/37/67/363043767.db2.gz NLVCHRYHSMIDMS-HNNXBMFYSA-N 2 1 289.423 2.303 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000070173949 363046861 /nfs/dbraw/zinc/04/68/61/363046861.db2.gz NFRRLIGTPCQXGU-UONOGXRCSA-N 2 1 275.396 2.074 20 0 CEADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188547 363050887 /nfs/dbraw/zinc/05/08/87/363050887.db2.gz DGUHQIWAEZXKPG-UHFFFAOYSA-N 2 1 289.423 2.303 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339830762 215355600 /nfs/dbraw/zinc/35/56/00/215355600.db2.gz VZJGXQSVRXRKMB-OAHLLOKOSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339830762 215355602 /nfs/dbraw/zinc/35/56/02/215355602.db2.gz VZJGXQSVRXRKMB-OAHLLOKOSA-N 2 1 265.401 2.329 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000070356251 363074756 /nfs/dbraw/zinc/07/47/56/363074756.db2.gz LTXIDLQFLPQOCR-HIFRSBDPSA-N 2 1 252.402 2.160 20 0 CEADMP CC[NH2+]Cc1cccc(NC(=O)C[N@@H+](C)C(C)C)c1 ZINC000122969327 187063326 /nfs/dbraw/zinc/06/33/26/187063326.db2.gz PNBORDPTEMJZGU-UHFFFAOYSA-N 2 1 263.385 2.075 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000123478852 187094418 /nfs/dbraw/zinc/09/44/18/187094418.db2.gz PUVDDZAMMYIPAM-KBMXLJTQSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccccc2)CC[N@H+]1C ZINC000123478852 187094419 /nfs/dbraw/zinc/09/44/19/187094419.db2.gz PUVDDZAMMYIPAM-KBMXLJTQSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccccc2)CC[NH+]1C ZINC000123478852 187094420 /nfs/dbraw/zinc/09/44/20/187094420.db2.gz PUVDDZAMMYIPAM-KBMXLJTQSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccccc2)CC[NH+]1C ZINC000123478852 187094421 /nfs/dbraw/zinc/09/44/21/187094421.db2.gz PUVDDZAMMYIPAM-KBMXLJTQSA-N 2 1 262.397 2.135 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@H+]1C ZINC000630854446 351873008 /nfs/dbraw/zinc/87/30/08/351873008.db2.gz GDMNRPLRYYEZDD-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC[NH+]1C ZINC000630854446 351873012 /nfs/dbraw/zinc/87/30/12/351873012.db2.gz GDMNRPLRYYEZDD-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC[NH+]1C ZINC000630854446 351873017 /nfs/dbraw/zinc/87/30/17/351873017.db2.gz GDMNRPLRYYEZDD-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)[C@H](C)C1 ZINC000123826006 187110414 /nfs/dbraw/zinc/11/04/14/187110414.db2.gz BWPPYDSOCKAAOZ-KBMXLJTQSA-N 2 1 274.408 2.310 20 0 CEADMP COc1cncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000631044901 351935985 /nfs/dbraw/zinc/93/59/85/351935985.db2.gz QEWQFMGLQRBSPM-LSDHHAIUSA-N 2 1 275.396 2.115 20 0 CEADMP COc1cncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000631044901 351935988 /nfs/dbraw/zinc/93/59/88/351935988.db2.gz QEWQFMGLQRBSPM-LSDHHAIUSA-N 2 1 275.396 2.115 20 0 CEADMP Cc1scc(C[NH2+]CCC[NH+]2CCC(O)CC2)c1C ZINC000631050584 351938457 /nfs/dbraw/zinc/93/84/57/351938457.db2.gz VCKRLVYKOFKLKF-UHFFFAOYSA-N 2 1 282.453 2.301 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn[nH]c1 ZINC000631195314 352010406 /nfs/dbraw/zinc/01/04/06/352010406.db2.gz VTRALRXWUGSQNR-WMLDXEAASA-N 2 1 284.407 2.267 20 0 CEADMP Cc1cc(C)c(/C=C/C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC000631111987 351968802 /nfs/dbraw/zinc/96/88/02/351968802.db2.gz NLGBKUAKYWBYGL-DUMMIQTOSA-N 2 1 288.435 2.281 20 0 CEADMP Cc1cc(C)c(/C=C/C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000631111987 351968803 /nfs/dbraw/zinc/96/88/03/351968803.db2.gz NLGBKUAKYWBYGL-DUMMIQTOSA-N 2 1 288.435 2.281 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)NCC(C)(C)C[NH+](C)C ZINC000072826125 363170149 /nfs/dbraw/zinc/17/01/49/363170149.db2.gz FOYKJEJLACSNSH-UHFFFAOYSA-N 2 1 294.443 2.101 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000166749598 539855337 /nfs/dbraw/zinc/85/53/37/539855337.db2.gz FPOTWJZJVYVDBP-BFHYXJOUSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H](O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000450880418 282816412 /nfs/dbraw/zinc/81/64/12/282816412.db2.gz PSJTWOVTLSECNN-ZDUSSCGKSA-N 2 1 277.412 2.170 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)COC3)CC[N@H+]1C ZINC000336473292 213343299 /nfs/dbraw/zinc/34/32/99/213343299.db2.gz CDEJVIYAKUFBPT-WBMJQRKESA-N 2 1 260.381 2.289 20 0 CEADMP O[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000271553987 191208391 /nfs/dbraw/zinc/20/83/91/191208391.db2.gz WISTZPPJYGOCFJ-QZTJIDSGSA-N 2 1 288.435 2.197 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000151390441 187960208 /nfs/dbraw/zinc/96/02/08/187960208.db2.gz CMIMULQGQAEUNW-UHFFFAOYSA-N 2 1 288.370 2.400 20 0 CEADMP CCCCOCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000249907337 539963397 /nfs/dbraw/zinc/96/33/97/539963397.db2.gz ZBNRRITWLOFTLU-LSDHHAIUSA-N 2 1 254.418 2.267 20 0 CEADMP COc1ccc(CC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292274590 198227041 /nfs/dbraw/zinc/22/70/41/198227041.db2.gz ZZODGIAQLRYWBH-KRWDZBQOSA-N 2 1 274.408 2.265 20 0 CEADMP COc1ccc(CC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292274590 198227043 /nfs/dbraw/zinc/22/70/43/198227043.db2.gz ZZODGIAQLRYWBH-KRWDZBQOSA-N 2 1 274.408 2.265 20 0 CEADMP COc1ccc(CC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292274590 198227044 /nfs/dbraw/zinc/22/70/44/198227044.db2.gz ZZODGIAQLRYWBH-KRWDZBQOSA-N 2 1 274.408 2.265 20 0 CEADMP COc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154545479 188150024 /nfs/dbraw/zinc/15/00/24/188150024.db2.gz KRKQIQSRUBAPOU-UKRRQHHQSA-N 2 1 262.397 2.310 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)CC[C@H]1[NH3+] ZINC000251762919 539991111 /nfs/dbraw/zinc/99/11/11/539991111.db2.gz LZGPTWFAGSFVNT-NVXWUHKLSA-N 2 1 284.407 2.432 20 0 CEADMP COc1ccc(F)cc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132128799 366119636 /nfs/dbraw/zinc/11/96/36/366119636.db2.gz XDWMXHYMMSRKEK-RYUDHWBXSA-N 2 1 266.360 2.485 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c(C)n1 ZINC000132128117 366119671 /nfs/dbraw/zinc/11/96/71/366119671.db2.gz LZRQDYQVJBSKSS-LLVKDONJSA-N 2 1 264.417 2.332 20 0 CEADMP C[N@H+](C/C=C\c1ccncc1)C[C@H]1CCC[NH+](C)C1 ZINC000495056198 291014207 /nfs/dbraw/zinc/01/42/07/291014207.db2.gz BXWFKZJTASSZEU-OICCZTGUSA-N 2 1 259.397 2.368 20 0 CEADMP C[N@@H+](C/C=C\c1ccncc1)C[C@H]1CCC[NH+](C)C1 ZINC000495056198 291014210 /nfs/dbraw/zinc/01/42/10/291014210.db2.gz BXWFKZJTASSZEU-OICCZTGUSA-N 2 1 259.397 2.368 20 0 CEADMP C[NH+](C/C=C\c1ccncc1)C[C@H]1CCC[N@H+](C)C1 ZINC000495056198 291014214 /nfs/dbraw/zinc/01/42/14/291014214.db2.gz BXWFKZJTASSZEU-OICCZTGUSA-N 2 1 259.397 2.368 20 0 CEADMP C[NH+](C/C=C\c1ccncc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000495056198 291014218 /nfs/dbraw/zinc/01/42/18/291014218.db2.gz BXWFKZJTASSZEU-OICCZTGUSA-N 2 1 259.397 2.368 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)CC1 ZINC000271725130 191292013 /nfs/dbraw/zinc/29/20/13/191292013.db2.gz QZAQRBOSGIPBLU-BLLLJJGKSA-N 2 1 280.387 2.322 20 0 CEADMP CC(C)[C@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000132988856 366185558 /nfs/dbraw/zinc/18/55/58/366185558.db2.gz CUHHCMOBEWSUQJ-JYJNAYRXSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000679346197 540045209 /nfs/dbraw/zinc/04/52/09/540045209.db2.gz AOQCVGADRRHVJH-VYDXJSESSA-N 2 1 296.455 2.035 20 0 CEADMP Cn1cnc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc21 ZINC000271840025 191360405 /nfs/dbraw/zinc/36/04/05/191360405.db2.gz QCYPASYGPSUWKX-INIZCTEOSA-N 2 1 298.434 2.491 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc21 ZINC000271840025 191360408 /nfs/dbraw/zinc/36/04/08/191360408.db2.gz QCYPASYGPSUWKX-INIZCTEOSA-N 2 1 298.434 2.491 20 0 CEADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271900560 191398151 /nfs/dbraw/zinc/39/81/51/191398151.db2.gz VNHKTLOGEXCMJB-AWEZNQCLSA-N 2 1 287.407 2.255 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000381165980 540138649 /nfs/dbraw/zinc/13/86/49/540138649.db2.gz UIKXTDLZFNZRQE-LXTVHRRPSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000381165980 540138652 /nfs/dbraw/zinc/13/86/52/540138652.db2.gz UIKXTDLZFNZRQE-LXTVHRRPSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000381165980 540138653 /nfs/dbraw/zinc/13/86/53/540138653.db2.gz UIKXTDLZFNZRQE-LXTVHRRPSA-N 2 1 256.434 2.054 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000451785499 283104443 /nfs/dbraw/zinc/10/44/43/283104443.db2.gz PCUWMBSAAIDVCX-CABCVRRESA-N 2 1 293.411 2.293 20 0 CEADMP CC1(C)CC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000683939757 540210085 /nfs/dbraw/zinc/21/00/85/540210085.db2.gz LNICQODOWBABMY-HNNXBMFYSA-N 2 1 266.429 2.408 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cn1 ZINC000451893645 283136261 /nfs/dbraw/zinc/13/62/61/283136261.db2.gz XZORGSFMGWEPEB-OCCSQVGLSA-N 2 1 250.390 2.038 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cn1 ZINC000451893645 283136265 /nfs/dbraw/zinc/13/62/65/283136265.db2.gz XZORGSFMGWEPEB-OCCSQVGLSA-N 2 1 250.390 2.038 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353670270 283142463 /nfs/dbraw/zinc/14/24/63/283142463.db2.gz KUHAMNHIOGGYHE-XLAORIBOSA-N 2 1 288.435 2.052 20 0 CEADMP CC(C)[C@@H](O)C1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000273554651 192201374 /nfs/dbraw/zinc/20/13/74/192201374.db2.gz CZCGRCHTOFEPHY-OAHLLOKOSA-N 2 1 277.412 2.034 20 0 CEADMP C1CC[NH+]([C@H]2CCC[N@H+]([C@@H]3CCCOC3)CC2)C1 ZINC000674302402 540237648 /nfs/dbraw/zinc/23/76/48/540237648.db2.gz MPWNEWISMVEISP-LSDHHAIUSA-N 2 1 252.402 2.116 20 0 CEADMP CC[NH+](CC)CCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000338316991 366293316 /nfs/dbraw/zinc/29/33/16/366293316.db2.gz NPMDWHRWFCZUFZ-KRWDZBQOSA-N 2 1 281.488 2.382 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000353494980 283188434 /nfs/dbraw/zinc/18/84/34/283188434.db2.gz ZESIWFRAJVBUDD-HRCADAONSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353494980 283188437 /nfs/dbraw/zinc/18/84/37/283188437.db2.gz ZESIWFRAJVBUDD-HRCADAONSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353494980 283188439 /nfs/dbraw/zinc/18/84/39/283188439.db2.gz ZESIWFRAJVBUDD-HRCADAONSA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496132638 291110811 /nfs/dbraw/zinc/11/08/11/291110811.db2.gz FXZLFTZJHAZPHD-DGCLKSJQSA-N 2 1 277.368 2.031 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000452151894 283205312 /nfs/dbraw/zinc/20/53/12/283205312.db2.gz OGQOMYFHUAABGL-NVXWUHKLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CCC(C)(C)O)CC1 ZINC000134684507 366351729 /nfs/dbraw/zinc/35/17/29/366351729.db2.gz ATEADDPTGSOQRB-CYBMUJFWSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](CCC(C)(C)O)CC1 ZINC000134684507 366351734 /nfs/dbraw/zinc/35/17/34/366351734.db2.gz ATEADDPTGSOQRB-CYBMUJFWSA-N 2 1 254.418 2.096 20 0 CEADMP Cc1[nH+]cc(CNCCC[NH+](C(C)C)C(C)C)n1C ZINC000577651195 366378237 /nfs/dbraw/zinc/37/82/37/366378237.db2.gz DJUYOXJEZHLUAK-UHFFFAOYSA-N 2 1 266.433 2.327 20 0 CEADMP COc1ccc2oc(C[NH+]3CCC([NH3+])CC3)cc2c1 ZINC000336301168 213141754 /nfs/dbraw/zinc/14/17/54/213141754.db2.gz RAQJGQVLQYSTHN-UHFFFAOYSA-N 2 1 260.337 2.365 20 0 CEADMP COCC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441391476 538832545 /nfs/dbraw/zinc/83/25/45/538832545.db2.gz GUFGLYHXVKUHAD-OFQRWUPVSA-N 2 1 266.429 2.360 20 0 CEADMP COCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441391476 538832553 /nfs/dbraw/zinc/83/25/53/538832553.db2.gz GUFGLYHXVKUHAD-OFQRWUPVSA-N 2 1 266.429 2.360 20 0 CEADMP COCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441391476 538832558 /nfs/dbraw/zinc/83/25/58/538832558.db2.gz GUFGLYHXVKUHAD-OFQRWUPVSA-N 2 1 266.429 2.360 20 0 CEADMP COCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441391476 538832565 /nfs/dbraw/zinc/83/25/65/538832565.db2.gz GUFGLYHXVKUHAD-OFQRWUPVSA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H](CO)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000120809827 538867009 /nfs/dbraw/zinc/86/70/09/538867009.db2.gz RXNAZOGDPJWLSY-MRXNPFEDSA-N 2 1 290.451 2.459 20 0 CEADMP C[C@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000670270893 540263969 /nfs/dbraw/zinc/26/39/69/540263969.db2.gz DYCUTBDWFAJACG-CQSZACIVSA-N 2 1 269.477 2.284 20 0 CEADMP CC(=O)Nc1cccc(CN[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000155491884 540297305 /nfs/dbraw/zinc/29/73/05/540297305.db2.gz KCNXEUZKIJIGPS-MLGOLLRUSA-N 2 1 287.407 2.360 20 0 CEADMP CC(=O)Nc1cccc(CN[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000155491884 540297306 /nfs/dbraw/zinc/29/73/06/540297306.db2.gz KCNXEUZKIJIGPS-MLGOLLRUSA-N 2 1 287.407 2.360 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000389780239 540363730 /nfs/dbraw/zinc/36/37/30/540363730.db2.gz YVVYZVPOXZAKQO-HOTGVXAUSA-N 2 1 289.423 2.067 20 0 CEADMP CCOC(=O)c1cc(C[NH2+]CCC[N@H+](C)C(C)C)[nH]c1C ZINC000294803260 199190054 /nfs/dbraw/zinc/19/00/54/199190054.db2.gz POIJMEVPLOEEBT-UHFFFAOYSA-N 2 1 295.427 2.320 20 0 CEADMP CCOC(=O)c1cc(C[NH2+]CCC[N@@H+](C)C(C)C)[nH]c1C ZINC000294803260 199190055 /nfs/dbraw/zinc/19/00/55/199190055.db2.gz POIJMEVPLOEEBT-UHFFFAOYSA-N 2 1 295.427 2.320 20 0 CEADMP CCn1nccc1CC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000338545675 366405652 /nfs/dbraw/zinc/40/56/52/366405652.db2.gz IMFJDGZPJMHYHA-HOCLYGCPSA-N 2 1 278.444 2.250 20 0 CEADMP CCn1nccc1CC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000338545675 366405655 /nfs/dbraw/zinc/40/56/55/366405655.db2.gz IMFJDGZPJMHYHA-HOCLYGCPSA-N 2 1 278.444 2.250 20 0 CEADMP CCn1nccc1CC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000338545675 366405657 /nfs/dbraw/zinc/40/56/57/366405657.db2.gz IMFJDGZPJMHYHA-HOCLYGCPSA-N 2 1 278.444 2.250 20 0 CEADMP CC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)COC1 ZINC000079472642 363605720 /nfs/dbraw/zinc/60/57/20/363605720.db2.gz ABSYYISNHQLOFZ-UHFFFAOYSA-N 2 1 274.408 2.277 20 0 CEADMP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000577898344 366414163 /nfs/dbraw/zinc/41/41/63/366414163.db2.gz LPSJLYHLNQNHHE-OAGGEKHMSA-N 2 1 259.397 2.352 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)C(=O)OC)[C@@H](C)C1 ZINC000338568043 366416228 /nfs/dbraw/zinc/41/62/28/366416228.db2.gz MDMCZLSWLJCFSG-KBPBESRZSA-N 2 1 284.444 2.238 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(C)(C)C(=O)OC)[C@@H](C)C1 ZINC000338568043 366416232 /nfs/dbraw/zinc/41/62/32/366416232.db2.gz MDMCZLSWLJCFSG-KBPBESRZSA-N 2 1 284.444 2.238 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(C)(C)C(=O)OC)[C@@H](C)C1 ZINC000338568043 366416238 /nfs/dbraw/zinc/41/62/38/366416238.db2.gz MDMCZLSWLJCFSG-KBPBESRZSA-N 2 1 284.444 2.238 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Br)cn1 ZINC000578013388 366430248 /nfs/dbraw/zinc/43/02/48/366430248.db2.gz OVWFISWVMUIFQG-BDAKNGLRSA-N 2 1 272.190 2.060 20 0 CEADMP COCCOc1cc(C)ccc1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415082902 236622258 /nfs/dbraw/zinc/62/22/58/236622258.db2.gz MIWGBNYFZBDTKT-KRWDZBQOSA-N 2 1 292.423 2.109 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000570832050 299280638 /nfs/dbraw/zinc/28/06/38/299280638.db2.gz YNWSKHNJZRKXKO-LLVKDONJSA-N 2 1 254.349 2.485 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C[C@H]1C[NH3+] ZINC000415138710 236644295 /nfs/dbraw/zinc/64/42/95/236644295.db2.gz ZBMALNHSQYZFEX-CHWSQXEVSA-N 2 1 290.436 2.351 20 0 CEADMP Cc1cccc(N2CCC([NH2+]C3CCC([NH3+])CC3)CC2)[nH+]1 ZINC000415095241 236628198 /nfs/dbraw/zinc/62/81/98/236628198.db2.gz ZBENUHMRMKPGTD-UHFFFAOYSA-N 3 1 288.439 2.218 20 0 CEADMP CCOC(=O)N[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)CC(C)C ZINC000496707068 291162975 /nfs/dbraw/zinc/16/29/75/291162975.db2.gz FXUASDRGOIRKJS-SOUVJXGZSA-N 2 1 299.459 2.267 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000135881086 366479609 /nfs/dbraw/zinc/47/96/09/366479609.db2.gz JJINGBUPBBEKEF-QWRGUYRKSA-N 2 1 261.394 2.465 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000135881086 366479615 /nfs/dbraw/zinc/47/96/15/366479615.db2.gz JJINGBUPBBEKEF-QWRGUYRKSA-N 2 1 261.394 2.465 20 0 CEADMP Cc1[nH+]ccn1CCCN(C)Cc1ncc(Cl)n1C ZINC000136309593 366509348 /nfs/dbraw/zinc/50/93/48/366509348.db2.gz IVFJJQLUZAIHRS-UHFFFAOYSA-N 2 1 281.791 2.101 20 0 CEADMP COc1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1F ZINC000392913417 540435477 /nfs/dbraw/zinc/43/54/77/540435477.db2.gz AJOUNCSXMWXDLE-UHFFFAOYSA-N 2 1 264.344 2.186 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496850248 291176538 /nfs/dbraw/zinc/17/65/38/291176538.db2.gz WSPQFDWRDPYXDR-WFASDCNBSA-N 2 1 291.395 2.277 20 0 CEADMP COc1cc2c(c(C[NH2+][C@H]3CCC[NH2+]CC3)c1)O[C@H](C)C2 ZINC000666855349 540509998 /nfs/dbraw/zinc/50/99/98/540509998.db2.gz NQWCDTUMLKXSNI-DOMZBBRYSA-N 2 1 290.407 2.250 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000668158792 540575118 /nfs/dbraw/zinc/57/51/18/540575118.db2.gz ABGIILUINPCJHG-SJORKVTESA-N 2 1 298.471 2.138 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000668159134 540576099 /nfs/dbraw/zinc/57/60/99/540576099.db2.gz LOOHNKXGMMNUMV-LBPRGKRZSA-N 2 1 260.372 2.394 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000338869907 366553001 /nfs/dbraw/zinc/55/30/01/366553001.db2.gz OEVFPNDITYWMKM-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@@]1(c2ccccc2)C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000578731477 366539561 /nfs/dbraw/zinc/53/95/61/366539561.db2.gz ABSWSUYBHNTNCM-WBVHZDCISA-N 2 1 274.408 2.234 20 0 CEADMP COCc1cnc(C[NH2+]Cc2ccc(C[NH3+])cc2)s1 ZINC000578867668 366559296 /nfs/dbraw/zinc/55/92/96/366559296.db2.gz XUUXZTZGLOPFAS-UHFFFAOYSA-N 2 1 277.393 2.038 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000080510018 363665516 /nfs/dbraw/zinc/66/55/16/363665516.db2.gz AHDGSZINENVJMK-ZDUSSCGKSA-N 2 1 274.408 2.441 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000080510018 363665519 /nfs/dbraw/zinc/66/55/19/363665519.db2.gz AHDGSZINENVJMK-ZDUSSCGKSA-N 2 1 274.408 2.441 20 0 CEADMP c1[nH+]cn2cc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc12 ZINC000297632894 200247661 /nfs/dbraw/zinc/24/76/61/200247661.db2.gz WSGDDYHIQFHIRF-HUUCEWRRSA-N 2 1 270.380 2.051 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC2(OC)CCC2)C1 ZINC000339013001 366615336 /nfs/dbraw/zinc/61/53/36/366615336.db2.gz ZHFCOPCBQDROLQ-MRXNPFEDSA-N 2 1 298.471 2.378 20 0 CEADMP COC1(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CCC1 ZINC000339005446 366610330 /nfs/dbraw/zinc/61/03/30/366610330.db2.gz OHONFDBPZNBNIU-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP COC1(CC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000339005446 366610335 /nfs/dbraw/zinc/61/03/35/366610335.db2.gz OHONFDBPZNBNIU-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP COC1(CC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000339005446 366610342 /nfs/dbraw/zinc/61/03/42/366610342.db2.gz OHONFDBPZNBNIU-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccccc1 ZINC000579227388 366611725 /nfs/dbraw/zinc/61/17/25/366611725.db2.gz FIIULKHVQKQTRR-GFCCVEGCSA-N 2 1 285.395 2.123 20 0 CEADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339070269 366640829 /nfs/dbraw/zinc/64/08/29/366640829.db2.gz KPASKMIAFPOIAT-KSZLIROESA-N 2 1 288.435 2.054 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2-n2cccn2)[C@H](C)C1 ZINC000151448311 366645411 /nfs/dbraw/zinc/64/54/11/366645411.db2.gz SACJQIXDTKWVJU-GDBMZVCRSA-N 2 1 299.422 2.087 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2-n2cccn2)[C@H](C)C1 ZINC000151448311 366645415 /nfs/dbraw/zinc/64/54/15/366645415.db2.gz SACJQIXDTKWVJU-GDBMZVCRSA-N 2 1 299.422 2.087 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000571414154 299309457 /nfs/dbraw/zinc/30/94/57/299309457.db2.gz HCVCRPOEWABYFJ-BZUAXINKSA-N 2 1 289.423 2.290 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3cccnc3)CC[C@@H]21 ZINC000178112750 189091517 /nfs/dbraw/zinc/09/15/17/189091517.db2.gz NQEWUUGXKIVVMQ-HOTGVXAUSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3cccnc3)CC[C@@H]21 ZINC000178112750 189091518 /nfs/dbraw/zinc/09/15/18/189091518.db2.gz NQEWUUGXKIVVMQ-HOTGVXAUSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3cccnc3)CC[C@@H]21 ZINC000178112750 189091519 /nfs/dbraw/zinc/09/15/19/189091519.db2.gz NQEWUUGXKIVVMQ-HOTGVXAUSA-N 2 1 259.397 2.040 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CCC1 ZINC000342117479 216224281 /nfs/dbraw/zinc/22/42/81/216224281.db2.gz GGUVQHDIWQXOKD-UHFFFAOYSA-N 2 1 296.798 2.472 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(CC(F)F)CC2)[C@@H](C)C1 ZINC000675792721 540874531 /nfs/dbraw/zinc/87/45/31/540874531.db2.gz SAEQQTMOBULBFR-JSGCOSHPSA-N 2 1 289.414 2.036 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn3ccccc23)[C@H](C)C1 ZINC000179884657 189225806 /nfs/dbraw/zinc/22/58/06/189225806.db2.gz BBGVKCLDPVBMLE-ZBFHGGJFSA-N 2 1 286.423 2.496 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn3ccccc23)[C@H](C)C1 ZINC000179884657 189225807 /nfs/dbraw/zinc/22/58/07/189225807.db2.gz BBGVKCLDPVBMLE-ZBFHGGJFSA-N 2 1 286.423 2.496 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn3ccccc23)[C@H](C)C1 ZINC000179884657 189225808 /nfs/dbraw/zinc/22/58/08/189225808.db2.gz BBGVKCLDPVBMLE-ZBFHGGJFSA-N 2 1 286.423 2.496 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn3ccccc23)[C@H](C)C1 ZINC000179884657 189225809 /nfs/dbraw/zinc/22/58/09/189225809.db2.gz BBGVKCLDPVBMLE-ZBFHGGJFSA-N 2 1 286.423 2.496 20 0 CEADMP CC(C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180165078 189240750 /nfs/dbraw/zinc/24/07/50/189240750.db2.gz HGBOWTYHWZEXHF-YESZJQIVSA-N 2 1 288.435 2.258 20 0 CEADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000152108217 366688572 /nfs/dbraw/zinc/68/85/72/366688572.db2.gz LSMDISADOGNOGK-IAGOWNOFSA-N 2 1 297.402 2.106 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CCc1ccccc1 ZINC000579727796 366693523 /nfs/dbraw/zinc/69/35/23/366693523.db2.gz YBNIHFVBPVYOBJ-MSOLQXFVSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000579727796 366693526 /nfs/dbraw/zinc/69/35/26/366693526.db2.gz YBNIHFVBPVYOBJ-MSOLQXFVSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000579727796 366693531 /nfs/dbraw/zinc/69/35/31/366693531.db2.gz YBNIHFVBPVYOBJ-MSOLQXFVSA-N 2 1 290.451 2.396 20 0 CEADMP CC[C@H](C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152866595 366718187 /nfs/dbraw/zinc/71/81/87/366718187.db2.gz PQWGMRMJDQYCCO-AWEZNQCLSA-N 2 1 261.413 2.477 20 0 CEADMP CCc1nc(NC[C@@H](c2ccccc2)[NH+](C)C)cc(C)[nH+]1 ZINC000339974429 366735635 /nfs/dbraw/zinc/73/56/35/366735635.db2.gz HQGAHLIUSNAKQN-HNNXBMFYSA-N 2 1 284.407 2.484 20 0 CEADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000638699949 370695230 /nfs/dbraw/zinc/69/52/30/370695230.db2.gz DKWUROHDVPRPEF-YZDRTPDPSA-N 2 1 293.455 2.039 20 0 CEADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000638699949 370695233 /nfs/dbraw/zinc/69/52/33/370695233.db2.gz DKWUROHDVPRPEF-YZDRTPDPSA-N 2 1 293.455 2.039 20 0 CEADMP Cc1cccc(C)c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182961991 189341026 /nfs/dbraw/zinc/34/10/26/189341026.db2.gz IEBNLEYFQNRSRP-UHFFFAOYSA-N 2 1 289.467 2.373 20 0 CEADMP CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(OC)cc1 ZINC000154260905 366765978 /nfs/dbraw/zinc/76/59/78/366765978.db2.gz OTUFSAJCSWCUAY-ZBFHGGJFSA-N 2 1 280.412 2.049 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000580276639 366773507 /nfs/dbraw/zinc/77/35/07/366773507.db2.gz VJLJOVOWUISLJN-MRXNPFEDSA-N 2 1 270.380 2.466 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000580276639 366773509 /nfs/dbraw/zinc/77/35/09/366773509.db2.gz VJLJOVOWUISLJN-MRXNPFEDSA-N 2 1 270.380 2.466 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000340124872 366778458 /nfs/dbraw/zinc/77/84/58/366778458.db2.gz HKQIDMSBRSVJJQ-OWCLPIDISA-N 2 1 295.471 2.132 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@]2(C)CCCO2)C1 ZINC000340199401 366802132 /nfs/dbraw/zinc/80/21/32/366802132.db2.gz LXTYVUWZVWKXMN-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP COC(C)(C)[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000340233648 366811894 /nfs/dbraw/zinc/81/18/94/366811894.db2.gz ZMEDXRFFYHDVNC-NWDGAFQWSA-N 2 1 253.390 2.231 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000162218187 541076100 /nfs/dbraw/zinc/07/61/00/541076100.db2.gz ZOWBOVWXYKQOCE-UHFFFAOYSA-N 3 1 299.422 2.189 20 0 CEADMP COCC1([N@H+](C)CCCCn2cc[nH+]c2C)CC1 ZINC000678084365 541079150 /nfs/dbraw/zinc/07/91/50/541079150.db2.gz VVDAQFVSAAYINJ-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP COCC1([N@@H+](C)CCCCn2cc[nH+]c2C)CC1 ZINC000678084365 541079154 /nfs/dbraw/zinc/07/91/54/541079154.db2.gz VVDAQFVSAAYINJ-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2nc(N(C)C)cc[nH+]2)C1 ZINC000301715532 201157299 /nfs/dbraw/zinc/15/72/99/201157299.db2.gz GPOLYAFAGAMXJQ-OKILXGFUSA-N 2 1 291.443 2.323 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNc2nc(N(C)C)cc[nH+]2)C1 ZINC000301715532 201157300 /nfs/dbraw/zinc/15/73/00/201157300.db2.gz GPOLYAFAGAMXJQ-OKILXGFUSA-N 2 1 291.443 2.323 20 0 CEADMP C[NH2+]CCCC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000237166486 370695836 /nfs/dbraw/zinc/69/58/36/370695836.db2.gz CTYTZLXJCKZCSO-OAHLLOKOSA-N 2 1 291.439 2.013 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000678132647 541086063 /nfs/dbraw/zinc/08/60/63/541086063.db2.gz ZAAPKJUBLLLRNJ-INIZCTEOSA-N 2 1 292.423 2.238 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000678132647 541086065 /nfs/dbraw/zinc/08/60/65/541086065.db2.gz ZAAPKJUBLLLRNJ-INIZCTEOSA-N 2 1 292.423 2.238 20 0 CEADMP c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n[nH]1 ZINC000678139310 541087395 /nfs/dbraw/zinc/08/73/95/541087395.db2.gz QIEBYXPGLGWENS-UHFFFAOYSA-N 2 1 276.428 2.498 20 0 CEADMP C[N@H+](Cc1ccccc1-n1cncn1)C[C@H]1CCC[NH+](C)C1 ZINC000678153669 541088954 /nfs/dbraw/zinc/08/89/54/541088954.db2.gz PPGMAJQLUVSZKH-HNNXBMFYSA-N 2 1 299.422 2.041 20 0 CEADMP C[NH+](Cc1ccccc1-n1cncn1)C[C@H]1CCC[N@H+](C)C1 ZINC000678153669 541088958 /nfs/dbraw/zinc/08/89/58/541088958.db2.gz PPGMAJQLUVSZKH-HNNXBMFYSA-N 2 1 299.422 2.041 20 0 CEADMP C[NH+](Cc1ccccc1-n1cncn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000678153669 541088961 /nfs/dbraw/zinc/08/89/61/541088961.db2.gz PPGMAJQLUVSZKH-HNNXBMFYSA-N 2 1 299.422 2.041 20 0 CEADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678343350 541119511 /nfs/dbraw/zinc/11/95/11/541119511.db2.gz RLRNBXZLOSGMOZ-HZPDHXFCSA-N 2 1 296.418 2.140 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C1(CO)CCCCC1 ZINC000678971937 541199168 /nfs/dbraw/zinc/19/91/68/541199168.db2.gz BPONOVLUVHEKAD-UHFFFAOYSA-N 2 1 265.401 2.257 20 0 CEADMP CC[N@H+]1CC[C@@H](Nc2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000679127649 541218157 /nfs/dbraw/zinc/21/81/57/541218157.db2.gz OPOFQPTWMNDKJX-CZUORRHYSA-N 2 1 285.395 2.410 20 0 CEADMP Cn1nccc1-c1ccccc1C[NH2+]CCC[NH+]1CCC1 ZINC000571893772 299334918 /nfs/dbraw/zinc/33/49/18/299334918.db2.gz DKWUJJASSXSOLV-UHFFFAOYSA-N 2 1 284.407 2.273 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)C1(C)C ZINC000085397715 363835404 /nfs/dbraw/zinc/83/54/04/363835404.db2.gz WIADNNWZMCANTQ-UONOGXRCSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000088100139 363877730 /nfs/dbraw/zinc/87/77/30/363877730.db2.gz NSUGKYDKNLMVNQ-XJKSGUPXSA-N 2 1 274.408 2.223 20 0 CEADMP CCn1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC000088164686 363880035 /nfs/dbraw/zinc/88/00/35/363880035.db2.gz ODPIHIWHMBKMBZ-GOOCMWNKSA-N 2 1 262.401 2.008 20 0 CEADMP COCc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000088555268 363907891 /nfs/dbraw/zinc/90/78/91/363907891.db2.gz ONSIFKQNDKZJOW-CZUORRHYSA-N 2 1 262.397 2.392 20 0 CEADMP C[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])C[NH+]1CCCCC1 ZINC000089145433 363936304 /nfs/dbraw/zinc/93/63/04/363936304.db2.gz YVDXLJCYAPMRMZ-OAGGEKHMSA-N 2 1 267.461 2.216 20 0 CEADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CSC3)c2)CCO1 ZINC000679839068 541323603 /nfs/dbraw/zinc/32/36/03/541323603.db2.gz FPXHAVQXFQIQNW-ZDUSSCGKSA-N 2 1 292.448 2.112 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CSC3)c2)CCO1 ZINC000679839068 541323605 /nfs/dbraw/zinc/32/36/05/541323605.db2.gz FPXHAVQXFQIQNW-ZDUSSCGKSA-N 2 1 292.448 2.112 20 0 CEADMP COc1ccc(OCC[N@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000089424806 363965121 /nfs/dbraw/zinc/96/51/21/363965121.db2.gz ZIBNQRUXYAKJAN-OAHLLOKOSA-N 2 1 292.423 2.490 20 0 CEADMP COc1ccc(OCC[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000089424806 363965123 /nfs/dbraw/zinc/96/51/23/363965123.db2.gz ZIBNQRUXYAKJAN-OAHLLOKOSA-N 2 1 292.423 2.490 20 0 CEADMP COc1ccc(OCC[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000089424806 363965126 /nfs/dbraw/zinc/96/51/26/363965126.db2.gz ZIBNQRUXYAKJAN-OAHLLOKOSA-N 2 1 292.423 2.490 20 0 CEADMP COc1ccc(OCC[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000089424806 363965127 /nfs/dbraw/zinc/96/51/27/363965127.db2.gz ZIBNQRUXYAKJAN-OAHLLOKOSA-N 2 1 292.423 2.490 20 0 CEADMP CCCNC(=O)CCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000572002181 299338738 /nfs/dbraw/zinc/33/87/38/299338738.db2.gz FJUHNVSBEWBPJE-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1nccs1 ZINC000093405307 364174987 /nfs/dbraw/zinc/17/49/87/364174987.db2.gz GAROJEQMCLBHGJ-CYBMUJFWSA-N 2 1 296.484 2.067 20 0 CEADMP COc1cc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)ccn1 ZINC000093516416 364194910 /nfs/dbraw/zinc/19/49/10/364194910.db2.gz SQDNOTOBYPXNSF-ZFWWWQNUSA-N 2 1 277.412 2.491 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000093516151 364195786 /nfs/dbraw/zinc/19/57/86/364195786.db2.gz HXSNPIHVXRZECA-PMPSAXMXSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000093516151 364195789 /nfs/dbraw/zinc/19/57/89/364195789.db2.gz HXSNPIHVXRZECA-PMPSAXMXSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000093516151 364195791 /nfs/dbraw/zinc/19/57/91/364195791.db2.gz HXSNPIHVXRZECA-PMPSAXMXSA-N 3 1 267.461 2.229 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C2([NH3+])CCCCC2)cn1 ZINC000237647793 370741194 /nfs/dbraw/zinc/74/11/94/370741194.db2.gz PIIDMBMZWJKNBY-UHFFFAOYSA-N 2 1 299.378 2.176 20 0 CEADMP Cc1ccn2c(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cnc2c1 ZINC000334692963 364190263 /nfs/dbraw/zinc/19/02/63/364190263.db2.gz JKYSUUVSSRRMHL-KGLIPLIRSA-N 2 1 272.396 2.202 20 0 CEADMP Cc1ccn2c(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cnc2c1 ZINC000334692963 364190268 /nfs/dbraw/zinc/19/02/68/364190268.db2.gz JKYSUUVSSRRMHL-KGLIPLIRSA-N 2 1 272.396 2.202 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000334693256 364191005 /nfs/dbraw/zinc/19/10/05/364191005.db2.gz TYHHYSYUUFDABB-TZMCWYRMSA-N 2 1 272.396 2.133 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488297 364191670 /nfs/dbraw/zinc/19/16/70/364191670.db2.gz XIDWZQWKLUKCOK-WCXIOVBPSA-N 2 1 279.472 2.371 20 0 CEADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488297 364191675 /nfs/dbraw/zinc/19/16/75/364191675.db2.gz XIDWZQWKLUKCOK-WCXIOVBPSA-N 2 1 279.472 2.371 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342158 364268208 /nfs/dbraw/zinc/26/82/08/364268208.db2.gz PXIZWZWQTHVDQV-KGLIPLIRSA-N 2 1 278.396 2.133 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342158 364268212 /nfs/dbraw/zinc/26/82/12/364268212.db2.gz PXIZWZWQTHVDQV-KGLIPLIRSA-N 2 1 278.396 2.133 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCCC3(CCOCC3)C2)CC[NH2+]1 ZINC000334882565 364284115 /nfs/dbraw/zinc/28/41/15/364284115.db2.gz PIKHKJIWYVKZQA-GJZGRUSLSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000094722731 364290508 /nfs/dbraw/zinc/29/05/08/364290508.db2.gz XZYKXUQKOUCGAG-TZMCWYRMSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000094722731 364290516 /nfs/dbraw/zinc/29/05/16/364290516.db2.gz XZYKXUQKOUCGAG-TZMCWYRMSA-N 2 1 272.396 2.215 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@@H+]1C ZINC000156216496 366828332 /nfs/dbraw/zinc/82/83/32/366828332.db2.gz YSKOYGLKCLLEHS-AAEUAGOBSA-N 2 1 293.377 2.085 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@H+]1C ZINC000156216496 366828338 /nfs/dbraw/zinc/82/83/38/366828338.db2.gz YSKOYGLKCLLEHS-AAEUAGOBSA-N 2 1 293.377 2.085 20 0 CEADMP Cn1ncc(Cl)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000335144418 364537241 /nfs/dbraw/zinc/53/72/41/364537241.db2.gz DTRGUQNWNNDKCJ-ZDUSSCGKSA-N 2 1 296.846 2.237 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOC(C)(C)C)CC[C@@H]21 ZINC000158627251 366858620 /nfs/dbraw/zinc/85/86/20/366858620.db2.gz WNIUIXDWLJBWHH-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOC(C)(C)C)CC[C@@H]21 ZINC000158627251 366858623 /nfs/dbraw/zinc/85/86/23/366858623.db2.gz WNIUIXDWLJBWHH-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335653287 212371221 /nfs/dbraw/zinc/37/12/21/212371221.db2.gz FZCRFWFKZRQIRE-OAHLLOKOSA-N 2 1 273.380 2.103 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]CC2(O)CCC(C)CC2)C1 ZINC000572112502 299346872 /nfs/dbraw/zinc/34/68/72/299346872.db2.gz MMVVIFGWVPDIPY-AQFXKWCLSA-N 2 1 282.472 2.495 20 0 CEADMP C[N@@H+](CCOc1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000104097059 364677385 /nfs/dbraw/zinc/67/73/85/364677385.db2.gz RSNXGLSSFPDWIA-AWEZNQCLSA-N 2 1 280.387 2.478 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000104387356 364696294 /nfs/dbraw/zinc/69/62/94/364696294.db2.gz QXOFJMOKUAOTQX-ZDUSSCGKSA-N 2 1 255.365 2.276 20 0 CEADMP c1cc2c(c(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c1)NCC2 ZINC000335632537 212347143 /nfs/dbraw/zinc/34/71/43/212347143.db2.gz HCEBHEDYNQMWMS-HZPDHXFCSA-N 2 1 285.435 2.476 20 0 CEADMP CC[N@@H+](C)CCNc1cc(C)nc(-c2ccncc2)n1 ZINC000112077076 364771473 /nfs/dbraw/zinc/77/14/73/364771473.db2.gz LLUHNUFMSAKNAK-UHFFFAOYSA-N 2 1 271.368 2.211 20 0 CEADMP Cc1cc(NC[C@@H]2CCC[N@@H+]2C)nc(-c2ccncc2)n1 ZINC000112076674 364772239 /nfs/dbraw/zinc/77/22/39/364772239.db2.gz WNLYWZCOYXVZBL-AWEZNQCLSA-N 2 1 283.379 2.353 20 0 CEADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000113656112 364907767 /nfs/dbraw/zinc/90/77/67/364907767.db2.gz FTTLPRMIXCDDSC-UHFFFAOYSA-N 2 1 293.386 2.086 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000114456504 364945226 /nfs/dbraw/zinc/94/52/26/364945226.db2.gz PHZIWVOWQHBCJE-GASCZTMLSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CC2CCCC2)CC1 ZINC000114455868 364945725 /nfs/dbraw/zinc/94/57/25/364945725.db2.gz CQJDUWXPTXTKRW-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP Oc1cc(F)cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000275367222 193011485 /nfs/dbraw/zinc/01/14/85/193011485.db2.gz BSZKEIDBTUVPNW-NSHDSACASA-N 2 1 275.327 2.080 20 0 CEADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@H]1CCCOC1 ZINC000356867736 370799393 /nfs/dbraw/zinc/79/93/93/370799393.db2.gz MYJHXFAJZLQRKA-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000335944184 365197526 /nfs/dbraw/zinc/19/75/26/365197526.db2.gz SPUYDTZOUQWTBC-XYPWUTKMSA-N 2 1 259.397 2.447 20 0 CEADMP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000357102390 370805291 /nfs/dbraw/zinc/80/52/91/370805291.db2.gz REMVFPOYSKLVKE-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCOCCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000119237751 365241739 /nfs/dbraw/zinc/24/17/39/365241739.db2.gz SMWQAPZPCIBWBI-UHFFFAOYSA-N 2 1 265.401 2.101 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000245394993 370811962 /nfs/dbraw/zinc/81/19/62/370811962.db2.gz GZNNXSBEVWAUTL-AJNGGQMLSA-N 2 1 283.460 2.094 20 0 CEADMP COC1(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCC1 ZINC000340440156 366885150 /nfs/dbraw/zinc/88/51/50/366885150.db2.gz GWXKCPBZGWFELN-KFWWJZLASA-N 2 1 266.429 2.408 20 0 CEADMP Cc1cccc(CC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000582178248 366874139 /nfs/dbraw/zinc/87/41/39/366874139.db2.gz QSAKYOPSIQNIIV-HOCLYGCPSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cccc(CC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000582178248 366874145 /nfs/dbraw/zinc/87/41/45/366874145.db2.gz QSAKYOPSIQNIIV-HOCLYGCPSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cccc(CC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000582178248 366874150 /nfs/dbraw/zinc/87/41/50/366874150.db2.gz QSAKYOPSIQNIIV-HOCLYGCPSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cccc(CC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000582178248 366874156 /nfs/dbraw/zinc/87/41/56/366874156.db2.gz QSAKYOPSIQNIIV-HOCLYGCPSA-N 2 1 261.413 2.347 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccncc1 ZINC000275732416 193115188 /nfs/dbraw/zinc/11/51/88/193115188.db2.gz ZYSFSZIPAIENEH-STQMWFEESA-N 2 1 256.353 2.191 20 0 CEADMP CC(C)c1nccc(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1 ZINC000120607180 365449147 /nfs/dbraw/zinc/44/91/47/365449147.db2.gz QMWARKRWVTZGAF-KGLIPLIRSA-N 2 1 290.411 2.265 20 0 CEADMP C[N@H+](C[C@H](O)c1ccccc1Cl)C[C@@H]1CC[NH+](C)C1 ZINC000121051460 365517301 /nfs/dbraw/zinc/51/73/01/365517301.db2.gz WSYGRKIXCSKZCM-DOMZBBRYSA-N 2 1 282.815 2.257 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccccc1Cl)C[C@@H]1CC[NH+](C)C1 ZINC000121051460 365517305 /nfs/dbraw/zinc/51/73/05/365517305.db2.gz WSYGRKIXCSKZCM-DOMZBBRYSA-N 2 1 282.815 2.257 20 0 CEADMP C[NH+](C[C@H](O)c1ccccc1Cl)C[C@@H]1CC[N@H+](C)C1 ZINC000121051460 365517310 /nfs/dbraw/zinc/51/73/10/365517310.db2.gz WSYGRKIXCSKZCM-DOMZBBRYSA-N 2 1 282.815 2.257 20 0 CEADMP C[NH+](C[C@H](O)c1ccccc1Cl)C[C@@H]1CC[N@@H+](C)C1 ZINC000121051460 365517315 /nfs/dbraw/zinc/51/73/15/365517315.db2.gz WSYGRKIXCSKZCM-DOMZBBRYSA-N 2 1 282.815 2.257 20 0 CEADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCCCC1 ZINC000121046002 365517473 /nfs/dbraw/zinc/51/74/73/365517473.db2.gz INTVSIKGVODNGB-OAGGEKHMSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000582733628 366951104 /nfs/dbraw/zinc/95/11/04/366951104.db2.gz JHRJWIJEUNGLSE-ZNMIVQPWSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000582733628 366951111 /nfs/dbraw/zinc/95/11/11/366951111.db2.gz JHRJWIJEUNGLSE-ZNMIVQPWSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000582733628 366951117 /nfs/dbraw/zinc/95/11/17/366951117.db2.gz JHRJWIJEUNGLSE-ZNMIVQPWSA-N 2 1 270.461 2.446 20 0 CEADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c(C)c1 ZINC000582959799 366981954 /nfs/dbraw/zinc/98/19/54/366981954.db2.gz NUNUOBWEGJHGMY-CRAIPNDOSA-N 2 1 290.451 2.279 20 0 CEADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c(C)c1 ZINC000582959799 366981957 /nfs/dbraw/zinc/98/19/57/366981957.db2.gz NUNUOBWEGJHGMY-CRAIPNDOSA-N 2 1 290.451 2.279 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000583084806 366997807 /nfs/dbraw/zinc/99/78/07/366997807.db2.gz BYRAZBOIBRGHRO-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000582882778 366970526 /nfs/dbraw/zinc/97/05/26/366970526.db2.gz ZBKVCWNLSBWOHB-CQSZACIVSA-N 2 1 272.396 2.479 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000582882778 366970532 /nfs/dbraw/zinc/97/05/32/366970532.db2.gz ZBKVCWNLSBWOHB-CQSZACIVSA-N 2 1 272.396 2.479 20 0 CEADMP CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000340714760 367000537 /nfs/dbraw/zinc/00/05/37/367000537.db2.gz ZHNWSFNRDVFXDQ-DLBZAZTESA-N 2 1 276.424 2.259 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1ccnc1 ZINC000583386243 367041066 /nfs/dbraw/zinc/04/10/66/367041066.db2.gz NESFBLLPKLWPEN-KBPBESRZSA-N 2 1 280.416 2.071 20 0 CEADMP CC(C)CO[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245623080 370850094 /nfs/dbraw/zinc/85/00/94/370850094.db2.gz OIHVXKSSKUNBEF-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)CO[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245623080 370850095 /nfs/dbraw/zinc/85/00/95/370850095.db2.gz OIHVXKSSKUNBEF-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)CO[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245623080 370850100 /nfs/dbraw/zinc/85/01/00/370850100.db2.gz OIHVXKSSKUNBEF-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C)CC12CCCCC2 ZINC000245586700 370844700 /nfs/dbraw/zinc/84/47/00/370844700.db2.gz FAGYICUTHSWYAS-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CC[N@H+](C)CC12CCCCC2 ZINC000245586700 370844703 /nfs/dbraw/zinc/84/47/03/370844703.db2.gz FAGYICUTHSWYAS-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CC[N@@H+](C)CC12CCCCC2 ZINC000245586700 370844706 /nfs/dbraw/zinc/84/47/06/370844706.db2.gz FAGYICUTHSWYAS-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000341247833 367244273 /nfs/dbraw/zinc/24/42/73/367244273.db2.gz UKYPYCUPWWCSAI-YDHLFZDLSA-N 2 1 277.412 2.094 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000341247833 367244276 /nfs/dbraw/zinc/24/42/76/367244276.db2.gz UKYPYCUPWWCSAI-YDHLFZDLSA-N 2 1 277.412 2.094 20 0 CEADMP CCC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000165997130 367316629 /nfs/dbraw/zinc/31/66/29/367316629.db2.gz IHTWCNWCGYWWDM-MRXNPFEDSA-N 2 1 291.439 2.270 20 0 CEADMP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000166446207 367323055 /nfs/dbraw/zinc/32/30/55/367323055.db2.gz VNKHRGGRTTZTHI-HRCADAONSA-N 2 1 295.471 2.083 20 0 CEADMP CN(CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000342101502 367385040 /nfs/dbraw/zinc/38/50/40/367385040.db2.gz LBIYGOKRQWWHSX-BHYGNILZSA-N 2 1 273.424 2.182 20 0 CEADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H](O)C[NH+](C)C ZINC000631580335 367417060 /nfs/dbraw/zinc/41/70/60/367417060.db2.gz MCTFIPJBUXZVNC-HIFRSBDPSA-N 2 1 289.423 2.001 20 0 CEADMP C[C@H]([NH2+]CC1(CO)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681390934 541544815 /nfs/dbraw/zinc/54/48/15/541544815.db2.gz RGRVQGYYUAPKDK-DOTOQJQBSA-N 2 1 288.435 2.259 20 0 CEADMP C([C@H]1CCCCO1)[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000631827255 367565279 /nfs/dbraw/zinc/56/52/79/367565279.db2.gz JOPRUZLILQOENM-KFWWJZLASA-N 2 1 252.402 2.020 20 0 CEADMP COc1ccc(Cl)cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631840535 367581058 /nfs/dbraw/zinc/58/10/58/367581058.db2.gz TUBBPHJHEKHSPY-CMPLNLGQSA-N 2 1 268.788 2.375 20 0 CEADMP COc1ccc(Cl)cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631840535 367581066 /nfs/dbraw/zinc/58/10/66/367581066.db2.gz TUBBPHJHEKHSPY-CMPLNLGQSA-N 2 1 268.788 2.375 20 0 CEADMP CC1([NH+]2CCCC2)CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000631836586 367574841 /nfs/dbraw/zinc/57/48/41/367574841.db2.gz BWDOBYWNDLOASM-INIZCTEOSA-N 2 1 279.472 2.326 20 0 CEADMP OCC[NH2+]C1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000631862118 367598867 /nfs/dbraw/zinc/59/88/67/367598867.db2.gz FJUJNJOTMRUVNU-QGZVFWFLSA-N 2 1 292.398 2.249 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000342993843 367623849 /nfs/dbraw/zinc/62/38/49/367623849.db2.gz XTOUHSTYDSVNEK-XJKSGUPXSA-N 2 1 289.423 2.193 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000681710509 541586350 /nfs/dbraw/zinc/58/63/50/541586350.db2.gz SYRLNNHHSIWYGV-BZSNNMDCSA-N 2 1 288.435 2.354 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H]2CCC[C@@H]21 ZINC000681710509 541586353 /nfs/dbraw/zinc/58/63/53/541586353.db2.gz SYRLNNHHSIWYGV-BZSNNMDCSA-N 2 1 288.435 2.354 20 0 CEADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000681710509 541586357 /nfs/dbraw/zinc/58/63/57/541586357.db2.gz SYRLNNHHSIWYGV-BZSNNMDCSA-N 2 1 288.435 2.354 20 0 CEADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000681710509 541586361 /nfs/dbraw/zinc/58/63/61/541586361.db2.gz SYRLNNHHSIWYGV-BZSNNMDCSA-N 2 1 288.435 2.354 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1C ZINC000631889115 367611202 /nfs/dbraw/zinc/61/12/02/367611202.db2.gz FXPKJQOAKSNRFK-ZBFHGGJFSA-N 2 1 289.423 2.281 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000572502470 299374697 /nfs/dbraw/zinc/37/46/97/299374697.db2.gz TZEWKRLKXSPUHS-IAGOWNOFSA-N 2 1 279.472 2.419 20 0 CEADMP c1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000343255160 367728324 /nfs/dbraw/zinc/72/83/24/367728324.db2.gz WLAQGKYFHXTBGL-KSZLIROESA-N 2 1 288.435 2.366 20 0 CEADMP CC[N@@H+]1C[C@H](NC[C@H](C(C)C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000343275318 367739107 /nfs/dbraw/zinc/73/91/07/367739107.db2.gz TUVZERPAYCUNIE-HRCADAONSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H](CO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245766682 370871086 /nfs/dbraw/zinc/87/10/86/370871086.db2.gz WMUFEKDSPWGXOC-NRSFXHEJSA-N 2 1 288.435 2.400 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c[nH]nc4c3)CC[C@H]21 ZINC000245735168 370866539 /nfs/dbraw/zinc/86/65/39/370866539.db2.gz FOQWUTZPHRTOKV-NVXWUHKLSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)CC[C@H]21 ZINC000245735168 370866542 /nfs/dbraw/zinc/86/65/42/370866542.db2.gz FOQWUTZPHRTOKV-NVXWUHKLSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)CC[C@H]21 ZINC000245735168 370866546 /nfs/dbraw/zinc/86/65/46/370866546.db2.gz FOQWUTZPHRTOKV-NVXWUHKLSA-N 2 1 284.407 2.479 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC000358019969 370872643 /nfs/dbraw/zinc/87/26/43/370872643.db2.gz MAUAXTPCQVYYTC-SWLSCSKDSA-N 2 1 266.360 2.134 20 0 CEADMP C[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245785988 370874326 /nfs/dbraw/zinc/87/43/26/370874326.db2.gz ZMVRCRORJSGRHY-DZUCGIPZSA-N 2 1 274.408 2.152 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358073111 370893743 /nfs/dbraw/zinc/89/37/43/370893743.db2.gz DKEZPOXESLNKBE-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358073111 370893746 /nfs/dbraw/zinc/89/37/46/370893746.db2.gz DKEZPOXESLNKBE-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358073111 370893750 /nfs/dbraw/zinc/89/37/50/370893750.db2.gz DKEZPOXESLNKBE-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000343511050 367853589 /nfs/dbraw/zinc/85/35/89/367853589.db2.gz WCPGQOYSJVKIFY-QKPAOTATSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000343511050 367853593 /nfs/dbraw/zinc/85/35/93/367853593.db2.gz WCPGQOYSJVKIFY-QKPAOTATSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000343511050 367853596 /nfs/dbraw/zinc/85/35/96/367853596.db2.gz WCPGQOYSJVKIFY-QKPAOTATSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000343511050 367853601 /nfs/dbraw/zinc/85/36/01/367853601.db2.gz WCPGQOYSJVKIFY-QKPAOTATSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)CC2CCCC2)CC[N@H+]1C ZINC000343597479 367906605 /nfs/dbraw/zinc/90/66/05/367906605.db2.gz KUNAUFAIVUNRNL-FVQBIDKESA-N 2 1 268.445 2.248 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2C)CC1 ZINC000343609434 367914215 /nfs/dbraw/zinc/91/42/15/367914215.db2.gz OZVBDYKHGJXHSU-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343757992 367990159 /nfs/dbraw/zinc/99/01/59/367990159.db2.gz GWSKARPVJSROKO-HUUCEWRRSA-N 2 1 267.461 2.133 20 0 CEADMP c1cc(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccn1 ZINC000173879443 367954723 /nfs/dbraw/zinc/95/47/23/367954723.db2.gz FQPJSJUJLUCXAT-KRWDZBQOSA-N 2 1 273.424 2.432 20 0 CEADMP COc1cccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000173949101 367963736 /nfs/dbraw/zinc/96/37/36/367963736.db2.gz ZYAAXRKYMBADRS-HNNXBMFYSA-N 2 1 277.412 2.396 20 0 CEADMP COC(=O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174398952 368018650 /nfs/dbraw/zinc/01/86/50/368018650.db2.gz GBNUQXOJHMCNDO-MRXNPFEDSA-N 2 1 290.407 2.003 20 0 CEADMP COC(=O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174398952 368018660 /nfs/dbraw/zinc/01/86/60/368018660.db2.gz GBNUQXOJHMCNDO-MRXNPFEDSA-N 2 1 290.407 2.003 20 0 CEADMP CO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000572601262 299383415 /nfs/dbraw/zinc/38/34/15/299383415.db2.gz BTZKCPIUIRNNQU-MXASKKJJSA-N 2 1 296.455 2.033 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCOCC(F)(F)F)[C@H](C)C1 ZINC000177920049 368283497 /nfs/dbraw/zinc/28/34/97/368283497.db2.gz AHMQZFQQWPQSFY-NEPJUHHUSA-N 2 1 282.350 2.275 20 0 CEADMP CC(C)=CCC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000346091274 368541644 /nfs/dbraw/zinc/54/16/44/368541644.db2.gz XOJJAOBYRJPFSG-HZPDHXFCSA-N 2 1 295.471 2.298 20 0 CEADMP C[C@@H](C[NH+](C)C)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000346189141 368585126 /nfs/dbraw/zinc/58/51/26/368585126.db2.gz FQKKMAKQXBEZTK-FZMZJTMJSA-N 2 1 297.830 2.009 20 0 CEADMP COC[C@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346209571 368593296 /nfs/dbraw/zinc/59/32/96/368593296.db2.gz VAVODSIMQYAFRR-AWEZNQCLSA-N 2 1 286.379 2.044 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)C1CCOCC1 ZINC000358087033 370899231 /nfs/dbraw/zinc/89/92/31/370899231.db2.gz XFBSCDGIZPISIL-CHWSQXEVSA-N 2 1 265.401 2.232 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)CC(F)(F)F)C[C@H]1C ZINC000346440493 368675468 /nfs/dbraw/zinc/67/54/68/368675468.db2.gz ANUWDGXOJXICFX-WOPDTQHZSA-N 2 1 282.350 2.104 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)CC(F)(F)F)C[C@H]1C ZINC000346440493 368675473 /nfs/dbraw/zinc/67/54/73/368675473.db2.gz ANUWDGXOJXICFX-WOPDTQHZSA-N 2 1 282.350 2.104 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)CC(F)(F)F)C[C@H]1C ZINC000346440493 368675478 /nfs/dbraw/zinc/67/54/78/368675478.db2.gz ANUWDGXOJXICFX-WOPDTQHZSA-N 2 1 282.350 2.104 20 0 CEADMP C[C@H]1C[C@@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)CC[N@H+]1C ZINC000184241126 368683152 /nfs/dbraw/zinc/68/31/52/368683152.db2.gz FASDOISJPXEMJV-GJZGRUSLSA-N 2 1 295.471 2.227 20 0 CEADMP O[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246207738 370927792 /nfs/dbraw/zinc/92/77/92/370927792.db2.gz ORSWXSIHRBYYRU-ZWKOTPCHSA-N 2 1 288.435 2.008 20 0 CEADMP Cc1ccn2c(C[N@@H+](C)CC(C)(C)C[NH3+])cnc2c1 ZINC000346694226 368776569 /nfs/dbraw/zinc/77/65/69/368776569.db2.gz STTBWKDUDWUSLA-UHFFFAOYSA-N 2 1 260.385 2.059 20 0 CEADMP Cc1ccn2c(C[N@H+](C)CC(C)(C)C[NH3+])cnc2c1 ZINC000346694226 368776570 /nfs/dbraw/zinc/77/65/70/368776570.db2.gz STTBWKDUDWUSLA-UHFFFAOYSA-N 2 1 260.385 2.059 20 0 CEADMP OC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000358165514 370933174 /nfs/dbraw/zinc/93/31/74/370933174.db2.gz VXGLDXGIHKSEQZ-PMPSAXMXSA-N 2 1 278.371 2.076 20 0 CEADMP Cc1cnc([C@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)o1 ZINC000330627473 203054456 /nfs/dbraw/zinc/05/44/56/203054456.db2.gz KENRPFSCSVJWSC-JSGCOSHPSA-N 2 1 295.427 2.069 20 0 CEADMP CCCC1CCC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358173343 370935573 /nfs/dbraw/zinc/93/55/73/370935573.db2.gz WQDPMGKUHLUXJM-NRXISQOPSA-N 2 1 254.418 2.002 20 0 CEADMP CCCC1CCC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358173343 370935575 /nfs/dbraw/zinc/93/55/75/370935575.db2.gz WQDPMGKUHLUXJM-NRXISQOPSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000358185229 370941186 /nfs/dbraw/zinc/94/11/86/370941186.db2.gz XYUVIWHSQXJKKH-QWHCGFSZSA-N 2 1 293.480 2.494 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346681019 368766791 /nfs/dbraw/zinc/76/67/91/368766791.db2.gz OAYJNEZJUDJWBN-AWEZNQCLSA-N 2 1 274.412 2.448 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346681019 368766798 /nfs/dbraw/zinc/76/67/98/368766798.db2.gz OAYJNEZJUDJWBN-AWEZNQCLSA-N 2 1 274.412 2.448 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346686335 368768080 /nfs/dbraw/zinc/76/80/80/368768080.db2.gz UFJAFLWOUSKCDL-HIFRSBDPSA-N 2 1 284.407 2.350 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000346636968 368745499 /nfs/dbraw/zinc/74/54/99/368745499.db2.gz INOWIFOBFHETOQ-SMDDNHRTSA-N 2 1 264.417 2.079 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346642413 368748036 /nfs/dbraw/zinc/74/80/36/368748036.db2.gz MBXAUWKBUIRDRI-NWDGAFQWSA-N 2 1 276.409 2.103 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1-c1ccccc1 ZINC000346644374 368748662 /nfs/dbraw/zinc/74/86/62/368748662.db2.gz DHNLAEOEDNEJDX-KGLIPLIRSA-N 2 1 284.407 2.256 20 0 CEADMP CCOCc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000346646448 368749343 /nfs/dbraw/zinc/74/93/43/368749343.db2.gz NZZNHQXEMMTESH-DZGCQCFKSA-N 2 1 292.423 2.401 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)O1 ZINC000634687855 368815600 /nfs/dbraw/zinc/81/56/00/368815600.db2.gz BFZBSHAJXITRLQ-KBUPBQIOSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)O1 ZINC000634687857 368815846 /nfs/dbraw/zinc/81/58/46/368815846.db2.gz BFZBSHAJXITRLQ-TUVASFSCSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@@H+](CCC[NH3+])CC2CCCC2)O1 ZINC000634687985 368816019 /nfs/dbraw/zinc/81/60/19/368816019.db2.gz FBPQLPRLEZEJSM-HIFRSBDPSA-N 2 1 254.418 2.395 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(O)cc(F)c1 ZINC000185516502 368818743 /nfs/dbraw/zinc/81/87/43/368818743.db2.gz DQJXVTPXMGSEFQ-LLVKDONJSA-N 2 1 277.343 2.462 20 0 CEADMP C([C@H]1CC[N@@H+](CC23CCC(CC2)C3)C1)N1CCOCC1 ZINC000347727042 368818863 /nfs/dbraw/zinc/81/88/63/368818863.db2.gz APZWFBDUICOWJB-AQFXKWCLSA-N 2 1 278.440 2.221 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1(O)CCC1 ZINC000634724824 368840432 /nfs/dbraw/zinc/84/04/32/368840432.db2.gz YGZKCLAVTQQYGN-NVXWUHKLSA-N 2 1 288.435 2.259 20 0 CEADMP O[C@@]1(C[NH+]2CCCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634637659 368790041 /nfs/dbraw/zinc/79/00/41/368790041.db2.gz YUEAOXYUYPKQJM-GOSISDBHSA-N 2 1 288.435 2.499 20 0 CEADMP O[C@@]1(C[NH+]2CCCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634637659 368790045 /nfs/dbraw/zinc/79/00/45/368790045.db2.gz YUEAOXYUYPKQJM-GOSISDBHSA-N 2 1 288.435 2.499 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346845099 368792170 /nfs/dbraw/zinc/79/21/70/368792170.db2.gz ZDVLHONYRZKNFM-SLBVQIDZSA-N 2 1 266.429 2.108 20 0 CEADMP CC[C@@H]1CC[C@@H]1[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000348086495 368889792 /nfs/dbraw/zinc/88/97/92/368889792.db2.gz OFTXGMFJTPRZEZ-CVEARBPZSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccn(C)n1 ZINC000635010244 369046496 /nfs/dbraw/zinc/04/64/96/369046496.db2.gz ZDWCBXFXXKXBMS-HIFRSBDPSA-N 2 1 272.396 2.031 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000348315821 368999351 /nfs/dbraw/zinc/99/93/51/368999351.db2.gz IGAPKMMAGDSQSC-IAOVAPTHSA-N 2 1 293.430 2.358 20 0 CEADMP COCC(C)(C)CCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000348321189 369002171 /nfs/dbraw/zinc/00/21/71/369002171.db2.gz MJLZXPCLQVOOMN-KGLIPLIRSA-N 2 1 256.434 2.369 20 0 CEADMP C[N@H+]1CC=C(C[NH2+]Cc2nc3cc(F)ccc3o2)CC1 ZINC000634975141 369006872 /nfs/dbraw/zinc/00/68/72/369006872.db2.gz RRYDMTDWFQVNKG-UHFFFAOYSA-N 2 1 275.327 2.318 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2nc3cc(F)ccc3o2)CC1 ZINC000634975141 369006876 /nfs/dbraw/zinc/00/68/76/369006876.db2.gz RRYDMTDWFQVNKG-UHFFFAOYSA-N 2 1 275.327 2.318 20 0 CEADMP CC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccn(C)n1 ZINC000635010854 369046980 /nfs/dbraw/zinc/04/69/80/369046980.db2.gz NPZZTOURSZGPBO-INIZCTEOSA-N 2 1 284.407 2.307 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(CO)c2ccccc2)CC[N@H+]1C ZINC000348333650 369009399 /nfs/dbraw/zinc/00/93/99/369009399.db2.gz OBBNLUHZPKAJFC-PVAVHDDUSA-N 2 1 276.424 2.009 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634992671 369021294 /nfs/dbraw/zinc/02/12/94/369021294.db2.gz XEUYQKGCVYKPRG-VYMRPNJYSA-N 2 1 291.483 2.325 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634995995 369025216 /nfs/dbraw/zinc/02/52/16/369025216.db2.gz WARQDPFTXOFPAN-CXAGYDPISA-N 2 1 296.418 2.418 20 0 CEADMP c1cnc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)ccc2n1 ZINC000634952719 368986296 /nfs/dbraw/zinc/98/62/96/368986296.db2.gz HKHAOBBJLFDSAY-GJZGRUSLSA-N 2 1 282.391 2.346 20 0 CEADMP CCOC(C)(C)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000186532186 368990349 /nfs/dbraw/zinc/99/03/49/368990349.db2.gz NYRODKFOAHIUKW-UHFFFAOYSA-N 2 1 251.374 2.052 20 0 CEADMP C[NH+](C)Cc1cccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000635265652 369122782 /nfs/dbraw/zinc/12/27/82/369122782.db2.gz UGAJQAPGLWUZPP-AWEZNQCLSA-N 2 1 275.396 2.029 20 0 CEADMP Cc1[nH+]ccn1CCCN1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000348754573 369142266 /nfs/dbraw/zinc/14/22/66/369142266.db2.gz AVZQEGJIDQFTGZ-IAGOWNOFSA-N 2 1 284.407 2.008 20 0 CEADMP Cc1[nH+]ccn1CCCN(CC[NH3+])Cc1ccccc1 ZINC000348755139 369142372 /nfs/dbraw/zinc/14/23/72/369142372.db2.gz GLJGMXWRLIAEQB-UHFFFAOYSA-N 2 1 272.396 2.043 20 0 CEADMP C[C@@H]1C[N@@H+](CCCc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000348754520 369143060 /nfs/dbraw/zinc/14/30/60/369143060.db2.gz AHSPIFOLTWZHTM-IUODEOHRSA-N 2 1 250.361 2.427 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635425629 369170293 /nfs/dbraw/zinc/17/02/93/369170293.db2.gz PXOLRJQJXGOZQO-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP COC[C@H](C)C[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000187705461 369206654 /nfs/dbraw/zinc/20/66/54/369206654.db2.gz WMSLNXKKLWIDEX-ZIAGYGMSSA-N 2 1 256.434 2.369 20 0 CEADMP COC[C@H](C)C[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000187705461 369206655 /nfs/dbraw/zinc/20/66/55/369206655.db2.gz WMSLNXKKLWIDEX-ZIAGYGMSSA-N 2 1 256.434 2.369 20 0 CEADMP CCC[C@@H](C)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000349061776 369232128 /nfs/dbraw/zinc/23/21/28/369232128.db2.gz KACRDPMWCJNYLV-OAHLLOKOSA-N 2 1 269.477 2.380 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CC[C@H]3CCOC3)C2)CC1 ZINC000349128878 369247567 /nfs/dbraw/zinc/24/75/67/369247567.db2.gz LJFUHNQALLWVJQ-GOEBONIOSA-N 2 1 266.429 2.077 20 0 CEADMP C[C@H]1CCCC[C@@H]1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349298326 369291680 /nfs/dbraw/zinc/29/16/80/369291680.db2.gz PAVRZPRMUMBKNH-DLBZAZTESA-N 2 1 281.488 2.382 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCC1)CC[C@@H]1CCOC1 ZINC000349383298 369316489 /nfs/dbraw/zinc/31/64/89/369316489.db2.gz LGZUTLODBBICNY-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)CC[N@@H+](C)C1CC1 ZINC000349409591 369322214 /nfs/dbraw/zinc/32/22/14/369322214.db2.gz RKGABJNRIGVQKL-UHFFFAOYSA-N 2 1 299.422 2.102 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@@H+](CC)CCC[NH+](C)C)CCO1 ZINC000349409655 369322625 /nfs/dbraw/zinc/32/26/25/369322625.db2.gz SJRZQJLXQPPCQW-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP CCOC1CC(CC[NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000188778977 369408054 /nfs/dbraw/zinc/40/80/54/369408054.db2.gz YLGDLBYQOSTJFQ-UHFFFAOYSA-N 2 1 277.412 2.442 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCCC1)C[C@H]1CCCO1 ZINC000188983643 369438335 /nfs/dbraw/zinc/43/83/35/369438335.db2.gz LIHNRSJUSHUYGM-OAHLLOKOSA-N 2 1 254.418 2.363 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)CCOCC2)[C@H](C)C1 ZINC000358232341 370961951 /nfs/dbraw/zinc/96/19/51/370961951.db2.gz BRRFXABIADDKCU-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000358231333 370962960 /nfs/dbraw/zinc/96/29/60/370962960.db2.gz YVRACHWCKYFASF-CYBMUJFWSA-N 2 1 294.361 2.296 20 0 CEADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358260637 370978689 /nfs/dbraw/zinc/97/86/89/370978689.db2.gz VKZINDIUDWMVAC-ZBFHGGJFSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000358260637 370978693 /nfs/dbraw/zinc/97/86/93/370978693.db2.gz VKZINDIUDWMVAC-ZBFHGGJFSA-N 2 1 262.397 2.021 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000049553355 296145649 /nfs/dbraw/zinc/14/56/49/296145649.db2.gz USEVTPLHGOVKBQ-QWHCGFSZSA-N 2 1 298.452 2.081 20 0 CEADMP C[NH+](C)CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000276276322 193267185 /nfs/dbraw/zinc/26/71/85/193267185.db2.gz DLDDBGBSGFGSKR-KZNAEPCWSA-N 2 1 287.451 2.048 20 0 CEADMP CN(C)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000276276322 193267187 /nfs/dbraw/zinc/26/71/87/193267187.db2.gz DLDDBGBSGFGSKR-KZNAEPCWSA-N 2 1 287.451 2.048 20 0 CEADMP CN(C)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000276276322 193267189 /nfs/dbraw/zinc/26/71/89/193267189.db2.gz DLDDBGBSGFGSKR-KZNAEPCWSA-N 2 1 287.451 2.048 20 0 CEADMP C[C@@H]1C[C@@H](NCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000276457581 193339542 /nfs/dbraw/zinc/33/95/42/193339542.db2.gz KUHRWWKPIRBMQX-WBVHZDCISA-N 2 1 275.440 2.191 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351494294 369636449 /nfs/dbraw/zinc/63/64/49/369636449.db2.gz YFRFGYZCKFZANW-WOSRLPQWSA-N 2 1 268.445 2.341 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000351494294 369636454 /nfs/dbraw/zinc/63/64/54/369636454.db2.gz YFRFGYZCKFZANW-WOSRLPQWSA-N 2 1 268.445 2.341 20 0 CEADMP CC[C@H](C)[C@@H](C)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000351494294 369636457 /nfs/dbraw/zinc/63/64/57/369636457.db2.gz YFRFGYZCKFZANW-WOSRLPQWSA-N 2 1 268.445 2.341 20 0 CEADMP CC[C@H](C)[C@@H](C)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351494294 369636459 /nfs/dbraw/zinc/63/64/59/369636459.db2.gz YFRFGYZCKFZANW-WOSRLPQWSA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000190850331 369656333 /nfs/dbraw/zinc/65/63/33/369656333.db2.gz AWUZHZXLGONIFW-MRXNPFEDSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1CSCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000190435115 369624118 /nfs/dbraw/zinc/62/41/18/369624118.db2.gz MUCLCWKGPVZFRN-ZDUSSCGKSA-N 2 1 288.420 2.452 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCOC[C@H]2C)cn1 ZINC000192487911 369819335 /nfs/dbraw/zinc/81/93/35/369819335.db2.gz ZALFYRVZPNYIEF-DOMZBBRYSA-N 2 1 286.379 2.090 20 0 CEADMP CC(C)C1CCC(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000352738022 369862219 /nfs/dbraw/zinc/86/22/19/369862219.db2.gz LQPPNWMVKHNVQF-GPANFISMSA-N 2 1 268.445 2.105 20 0 CEADMP CC(C)C1CCC(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000352738022 369862224 /nfs/dbraw/zinc/86/22/24/369862224.db2.gz LQPPNWMVKHNVQF-GPANFISMSA-N 2 1 268.445 2.105 20 0 CEADMP CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352749068 369866665 /nfs/dbraw/zinc/86/66/65/369866665.db2.gz LHTHDIVDTBOJMX-FZMZJTMJSA-N 2 1 285.457 2.091 20 0 CEADMP C[C@@H](Cc1ccncc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352756187 369869774 /nfs/dbraw/zinc/86/97/74/369869774.db2.gz OXCKENNQEMMCBQ-LBPRGKRZSA-N 2 1 290.436 2.321 20 0 CEADMP C1=CO[C@@H](C[NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC000193673887 369969599 /nfs/dbraw/zinc/96/95/99/369969599.db2.gz MFGHWAYFTCTSQA-OAHLLOKOSA-N 2 1 250.386 2.239 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)N2[C@H](C)[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000637378601 369923096 /nfs/dbraw/zinc/92/30/96/369923096.db2.gz NZCYWQIBSKBELJ-RRFJBIMHSA-N 2 1 295.471 2.046 20 0 CEADMP CCC[C@H](C)[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000353011428 369980358 /nfs/dbraw/zinc/98/03/58/369980358.db2.gz ZAKYYLYDAANOCQ-HNNXBMFYSA-N 2 1 286.460 2.234 20 0 CEADMP C[C@H]1CSC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000353014793 369982475 /nfs/dbraw/zinc/98/24/75/369982475.db2.gz FBGHWFQWOKXZAA-GXSJLCMTSA-N 2 1 271.455 2.046 20 0 CEADMP CC[N@@H+]1C[C@H](NCC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000353166297 370049589 /nfs/dbraw/zinc/04/95/89/370049589.db2.gz JJMMVKBFGLPBOP-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000353166297 370049591 /nfs/dbraw/zinc/04/95/91/370049591.db2.gz JJMMVKBFGLPBOP-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353464213 370113111 /nfs/dbraw/zinc/11/31/11/370113111.db2.gz PVJOEUJUDTVDJR-QBPKDAKJSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353464213 370113117 /nfs/dbraw/zinc/11/31/17/370113117.db2.gz PVJOEUJUDTVDJR-QBPKDAKJSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353464213 370113120 /nfs/dbraw/zinc/11/31/20/370113120.db2.gz PVJOEUJUDTVDJR-QBPKDAKJSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1CCCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353464213 370113124 /nfs/dbraw/zinc/11/31/24/370113124.db2.gz PVJOEUJUDTVDJR-QBPKDAKJSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1CCCN(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353464213 370113128 /nfs/dbraw/zinc/11/31/28/370113128.db2.gz PVJOEUJUDTVDJR-QBPKDAKJSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000353624421 370119447 /nfs/dbraw/zinc/11/94/47/370119447.db2.gz QJNLMANQESLILO-IVMMDQJWSA-N 2 1 294.464 2.466 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000353926873 370140131 /nfs/dbraw/zinc/14/01/31/370140131.db2.gz HGOPSYPPRGFAOY-KBPBESRZSA-N 2 1 284.444 2.286 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000353926873 370140133 /nfs/dbraw/zinc/14/01/33/370140133.db2.gz HGOPSYPPRGFAOY-KBPBESRZSA-N 2 1 284.444 2.286 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)n[nH]c2C)C1 ZINC000353973376 370159520 /nfs/dbraw/zinc/15/95/20/370159520.db2.gz IHUVUGQCXNMGIW-AWEZNQCLSA-N 2 1 264.417 2.190 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)n[nH]c2C)C1 ZINC000353973376 370159524 /nfs/dbraw/zinc/15/95/24/370159524.db2.gz IHUVUGQCXNMGIW-AWEZNQCLSA-N 2 1 264.417 2.190 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)n[nH]c2C)C1 ZINC000353973376 370159528 /nfs/dbraw/zinc/15/95/28/370159528.db2.gz IHUVUGQCXNMGIW-AWEZNQCLSA-N 2 1 264.417 2.190 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)n[nH]c2C)C1 ZINC000353973376 370159531 /nfs/dbraw/zinc/15/95/31/370159531.db2.gz IHUVUGQCXNMGIW-AWEZNQCLSA-N 2 1 264.417 2.190 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000353975478 370159926 /nfs/dbraw/zinc/15/99/26/370159926.db2.gz UZECOZIWDBDEGX-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000353975478 370159928 /nfs/dbraw/zinc/15/99/28/370159928.db2.gz UZECOZIWDBDEGX-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000353975478 370159931 /nfs/dbraw/zinc/15/99/31/370159931.db2.gz UZECOZIWDBDEGX-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C)C(C)C ZINC000354145268 370233157 /nfs/dbraw/zinc/23/31/57/370233157.db2.gz AEJLWBPVKWTWLD-RRFJBIMHSA-N 2 1 284.444 2.284 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C)C(C)C ZINC000354145268 370233161 /nfs/dbraw/zinc/23/31/61/370233161.db2.gz AEJLWBPVKWTWLD-RRFJBIMHSA-N 2 1 284.444 2.284 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000222900761 370258304 /nfs/dbraw/zinc/25/83/04/370258304.db2.gz UMPALOWVUFQVDU-KFWWJZLASA-N 2 1 277.412 2.276 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000223555910 370267160 /nfs/dbraw/zinc/26/71/60/370267160.db2.gz ZGDKSKVEZLVTND-JQWIXIFHSA-N 2 1 252.333 2.091 20 0 CEADMP CC[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000638051391 370268692 /nfs/dbraw/zinc/26/86/92/370268692.db2.gz HCJBNJDMWVYHIL-BXUZGUMPSA-N 2 1 297.830 2.057 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000354410474 370351311 /nfs/dbraw/zinc/35/13/11/370351311.db2.gz DMTIZDGRBFLGKS-RBSFLKMASA-N 2 1 284.444 2.286 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000354410474 370351314 /nfs/dbraw/zinc/35/13/14/370351314.db2.gz DMTIZDGRBFLGKS-RBSFLKMASA-N 2 1 284.444 2.286 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074289 370357262 /nfs/dbraw/zinc/35/72/62/370357262.db2.gz PXIZWZWQTHVDQV-UONOGXRCSA-N 2 1 278.396 2.133 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074289 370357268 /nfs/dbraw/zinc/35/72/68/370357268.db2.gz PXIZWZWQTHVDQV-UONOGXRCSA-N 2 1 278.396 2.133 20 0 CEADMP CCC[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)OC ZINC000638178735 370358980 /nfs/dbraw/zinc/35/89/80/370358980.db2.gz PFGQQLWEUQZBKK-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)OC ZINC000638178735 370358981 /nfs/dbraw/zinc/35/89/81/370358981.db2.gz PFGQQLWEUQZBKK-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)OC ZINC000638178735 370358982 /nfs/dbraw/zinc/35/89/82/370358982.db2.gz PFGQQLWEUQZBKK-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000354503259 370389102 /nfs/dbraw/zinc/38/91/02/370389102.db2.gz VWCMDNNUGNPSKQ-LSDHHAIUSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@@H](O)CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000227952707 370389366 /nfs/dbraw/zinc/38/93/66/370389366.db2.gz ZEUSNKZVRQVPAY-OAHLLOKOSA-N 2 1 276.424 2.402 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000228081792 370396124 /nfs/dbraw/zinc/39/61/24/370396124.db2.gz KBEASAFBLLJDER-HUUCEWRRSA-N 2 1 262.397 2.351 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228534702 370404921 /nfs/dbraw/zinc/40/49/21/370404921.db2.gz LKMPAKZYKRJEOX-NUEKZKHPSA-N 2 1 260.381 2.254 20 0 CEADMP CC(C)C[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000354648239 370451171 /nfs/dbraw/zinc/45/11/71/370451171.db2.gz MMNJGBDUJQVEIB-MSOLQXFVSA-N 2 1 290.451 2.473 20 0 CEADMP CC(C)C[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000354648239 370451182 /nfs/dbraw/zinc/45/11/82/370451182.db2.gz MMNJGBDUJQVEIB-MSOLQXFVSA-N 2 1 290.451 2.473 20 0 CEADMP CC(C)[C@H](C[NH2+]C1CC(n2cccn2)C1)[NH+]1CCCC1 ZINC000638352989 370463006 /nfs/dbraw/zinc/46/30/06/370463006.db2.gz QATVFYDVSYAYNL-GPANFISMSA-N 2 1 276.428 2.297 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1)[NH+]1CCCC1 ZINC000638353354 370463304 /nfs/dbraw/zinc/46/33/04/370463304.db2.gz RPRXWXKOPFNYIS-PMPSAXMXSA-N 2 1 295.471 2.144 20 0 CEADMP COc1cc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000638358303 370467793 /nfs/dbraw/zinc/46/77/93/370467793.db2.gz BRSMGYWACYTMCW-DZGCQCFKSA-N 2 1 289.423 2.095 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCCc2cnn(C)c2)C1 ZINC000638365171 370475656 /nfs/dbraw/zinc/47/56/56/370475656.db2.gz BQLHDTOHBPOLJL-INIZCTEOSA-N 2 1 292.471 2.454 20 0 CEADMP CCn1ncnc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000638367426 370476394 /nfs/dbraw/zinc/47/63/94/370476394.db2.gz VNTPSKVJVKXOLY-AWEZNQCLSA-N 2 1 279.432 2.042 20 0 CEADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CCCc2cnn(C)c2)C1 ZINC000638409698 370509936 /nfs/dbraw/zinc/50/99/36/370509936.db2.gz OYXKXBNHBUWJGA-HNNXBMFYSA-N 2 1 292.471 2.453 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CCCc2cnn(C)c2)C1 ZINC000638409698 370509941 /nfs/dbraw/zinc/50/99/41/370509941.db2.gz OYXKXBNHBUWJGA-HNNXBMFYSA-N 2 1 292.471 2.453 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000355122582 370511343 /nfs/dbraw/zinc/51/13/43/370511343.db2.gz MONXMZRVUKJOSV-YESZJQIVSA-N 2 1 298.471 2.282 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000355122582 370511349 /nfs/dbraw/zinc/51/13/49/370511349.db2.gz MONXMZRVUKJOSV-YESZJQIVSA-N 2 1 298.471 2.282 20 0 CEADMP CCOC1CC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000638378493 370485023 /nfs/dbraw/zinc/48/50/23/370485023.db2.gz XLBVQRFXHZZOFV-FUUBYGMNSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+]1CC[C@@H](CNCc2nc3ccccc3o2)C1 ZINC000638382687 370488032 /nfs/dbraw/zinc/48/80/32/370488032.db2.gz YZOVISGVIFRVJI-LBPRGKRZSA-N 2 1 259.353 2.259 20 0 CEADMP COc1cccc(C)c1C[NH2+]CCn1cc[nH+]c1C ZINC000638461900 370548987 /nfs/dbraw/zinc/54/89/87/370548987.db2.gz HETQSMRKTHIOMJ-UHFFFAOYSA-N 2 1 259.353 2.298 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)OC ZINC000638557806 370604803 /nfs/dbraw/zinc/60/48/03/370604803.db2.gz SIOLDBREVMZMRE-HOTGVXAUSA-N 2 1 298.471 2.282 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000638502373 370575702 /nfs/dbraw/zinc/57/57/02/370575702.db2.gz BGFRYNCZARNMJO-UONOGXRCSA-N 2 1 279.428 2.341 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000638502373 370575706 /nfs/dbraw/zinc/57/57/06/370575706.db2.gz BGFRYNCZARNMJO-UONOGXRCSA-N 2 1 279.428 2.341 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638566725 370609300 /nfs/dbraw/zinc/60/93/00/370609300.db2.gz OKYPOYIQPVVAQT-CABCVRRESA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)CCC1CCOCC1 ZINC000639175535 371049630 /nfs/dbraw/zinc/04/96/30/371049630.db2.gz QMLOVRFOFYXCJM-UHFFFAOYSA-N 2 1 256.434 2.467 20 0 CEADMP C[NH+](CCCCC[N@H+](C)C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000246811448 371014939 /nfs/dbraw/zinc/01/49/39/371014939.db2.gz ARUFXXQYPBTWGH-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP C[NH+](CCCCC[N@H+](C)C[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000246811448 371014946 /nfs/dbraw/zinc/01/49/46/371014946.db2.gz ARUFXXQYPBTWGH-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP C[NH+](CCCCC[N@@H+](C)C[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000246811448 371014954 /nfs/dbraw/zinc/01/49/54/371014954.db2.gz ARUFXXQYPBTWGH-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1(C)C ZINC000639136932 371015555 /nfs/dbraw/zinc/01/55/55/371015555.db2.gz QOVCFUQXYAWFTD-OWCLPIDISA-N 2 1 279.472 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)c1ccccc1 ZINC000246842363 371020353 /nfs/dbraw/zinc/02/03/53/371020353.db2.gz BSBOSVYXRGHKCL-SRABZTEZSA-N 2 1 276.424 2.081 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(C(C)C)c2)C1 ZINC000246908069 371028612 /nfs/dbraw/zinc/02/86/12/371028612.db2.gz GEURADJAFRENJD-KGLIPLIRSA-N 2 1 264.417 2.456 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@@H](c2nccn2C)C1)OC ZINC000639176679 371052188 /nfs/dbraw/zinc/05/21/88/371052188.db2.gz IYSWNVWWIKFAPS-MJBXVCDLSA-N 2 1 265.401 2.271 20 0 CEADMP CCC[C@@H](C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)OC ZINC000639176404 371052315 /nfs/dbraw/zinc/05/23/15/371052315.db2.gz FZVILFRGNFWEGS-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H](C)[C@@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)OC ZINC000639170578 371042236 /nfs/dbraw/zinc/04/22/36/371042236.db2.gz VGSUADGIUZWFOY-NVXWUHKLSA-N 2 1 299.503 2.005 20 0 CEADMP CC[C@H](C)[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)OC ZINC000639208524 371097514 /nfs/dbraw/zinc/09/75/14/371097514.db2.gz XDCLFAIVCKQFHN-XHSDSOJGSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@H](C)[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)OC ZINC000639208524 371097517 /nfs/dbraw/zinc/09/75/17/371097517.db2.gz XDCLFAIVCKQFHN-XHSDSOJGSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@H](C)[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)OC ZINC000639208524 371097519 /nfs/dbraw/zinc/09/75/19/371097519.db2.gz XDCLFAIVCKQFHN-XHSDSOJGSA-N 2 1 268.445 2.465 20 0 CEADMP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247208539 371077319 /nfs/dbraw/zinc/07/73/19/371077319.db2.gz VOLWQVYUJCYSLA-KBPBESRZSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H](N[C@H]1C[N@@H+](C)C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358476763 371082110 /nfs/dbraw/zinc/08/21/10/371082110.db2.gz YWTBRQGGFWEQIV-AESZEHBQSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@H](N[C@H]1C[NH+](C)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358476763 371082118 /nfs/dbraw/zinc/08/21/18/371082118.db2.gz YWTBRQGGFWEQIV-AESZEHBQSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@H](N[C@H]1C[NH+](C)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358476763 371082124 /nfs/dbraw/zinc/08/21/24/371082124.db2.gz YWTBRQGGFWEQIV-AESZEHBQSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358476763 371082129 /nfs/dbraw/zinc/08/21/29/371082129.db2.gz YWTBRQGGFWEQIV-AESZEHBQSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358476763 371082136 /nfs/dbraw/zinc/08/21/36/371082136.db2.gz YWTBRQGGFWEQIV-AESZEHBQSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC[N@@H+]1C ZINC000639235324 371130192 /nfs/dbraw/zinc/13/01/92/371130192.db2.gz JXKDYQCCDKUHOK-MWQQHZPXSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC[N@H+]1C ZINC000639235324 371130193 /nfs/dbraw/zinc/13/01/93/371130193.db2.gz JXKDYQCCDKUHOK-MWQQHZPXSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000248410188 371188411 /nfs/dbraw/zinc/18/84/11/371188411.db2.gz XPFUIKVQVALQQP-IVSAIRAKSA-N 2 1 295.471 2.001 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)[C@H](C)C1 ZINC000248422906 371192650 /nfs/dbraw/zinc/19/26/50/371192650.db2.gz YUQYOKBYXZPATL-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC ZINC000248865928 371258153 /nfs/dbraw/zinc/25/81/53/371258153.db2.gz HQNOEVIAOHNGKH-STQMWFEESA-N 2 1 270.417 2.038 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)O1 ZINC000248880005 371261044 /nfs/dbraw/zinc/26/10/44/371261044.db2.gz GDAXCKWNLQNIAS-PMPSAXMXSA-N 2 1 266.429 2.362 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2cccc(C)c2)[C@@H](C)C1 ZINC000248810869 371248801 /nfs/dbraw/zinc/24/88/01/371248801.db2.gz HPGXSPCUSJQPMS-SZMVWBNQSA-N 2 1 290.451 2.218 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@H](C)[NH3+])C1 ZINC000248844588 371254401 /nfs/dbraw/zinc/25/44/01/371254401.db2.gz HHXCZCSAFYLUOH-KBPBESRZSA-N 2 1 283.460 2.131 20 0 CEADMP CC[C@@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000249170966 371303458 /nfs/dbraw/zinc/30/34/58/371303458.db2.gz BIODGFUALKTRFA-XMTFNYHQSA-N 2 1 288.435 2.258 20 0 CEADMP C[N@@H+](Cc1ccc(-n2cccn2)cc1)[C@H]1CN2CCC1CC2 ZINC000639396248 371308826 /nfs/dbraw/zinc/30/88/26/371308826.db2.gz IMCCVQHVADVEBR-SFHVURJKSA-N 2 1 296.418 2.398 20 0 CEADMP CN(Cc1ccc(-n2cccn2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000639396248 371308829 /nfs/dbraw/zinc/30/88/29/371308829.db2.gz IMCCVQHVADVEBR-SFHVURJKSA-N 2 1 296.418 2.398 20 0 CEADMP C[N@@H+](C[C@H]1CC(C)(C)CO1)C[C@H]1CCC[NH+](C)C1 ZINC000639494801 371360665 /nfs/dbraw/zinc/36/06/65/371360665.db2.gz MCGJTLNYKUQOOF-UONOGXRCSA-N 2 1 254.418 2.075 20 0 CEADMP C[NH+](C[C@H]1CC(C)(C)CO1)C[C@H]1CCC[N@H+](C)C1 ZINC000639494801 371360668 /nfs/dbraw/zinc/36/06/68/371360668.db2.gz MCGJTLNYKUQOOF-UONOGXRCSA-N 2 1 254.418 2.075 20 0 CEADMP C[NH+](C[C@H]1CC(C)(C)CO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000639494801 371360670 /nfs/dbraw/zinc/36/06/70/371360670.db2.gz MCGJTLNYKUQOOF-UONOGXRCSA-N 2 1 254.418 2.075 20 0 CEADMP C([C@H]1CCCCO1)[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250857576 371393867 /nfs/dbraw/zinc/39/38/67/371393867.db2.gz POSDQTMNBOOWLK-KFWWJZLASA-N 2 1 252.402 2.162 20 0 CEADMP C([C@H]1CCCCO1)[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250857576 371393872 /nfs/dbraw/zinc/39/38/72/371393872.db2.gz POSDQTMNBOOWLK-KFWWJZLASA-N 2 1 252.402 2.162 20 0 CEADMP CC(C)C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])N(C)C ZINC000251383872 371400582 /nfs/dbraw/zinc/40/05/82/371400582.db2.gz IFFBIKVGEXMCJK-ZNMIVQPWSA-N 2 1 255.450 2.070 20 0 CEADMP c1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250528538 371385276 /nfs/dbraw/zinc/38/52/76/371385276.db2.gz BHPCRPKIEPQFJY-CABCVRRESA-N 2 1 260.381 2.282 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000252157707 371432799 /nfs/dbraw/zinc/43/27/99/371432799.db2.gz NOTCOXKWTPGCSE-BZUAXINKSA-N 2 1 295.471 2.275 20 0 CEADMP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000252662285 371463853 /nfs/dbraw/zinc/46/38/53/371463853.db2.gz XCOBJRGHJYURFT-OLZOCXBDSA-N 2 1 265.426 2.476 20 0 CEADMP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000252662285 371463855 /nfs/dbraw/zinc/46/38/55/371463855.db2.gz XCOBJRGHJYURFT-OLZOCXBDSA-N 2 1 265.426 2.476 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc4c3CCOC4)C2)C1 ZINC000639653548 371470538 /nfs/dbraw/zinc/47/05/38/371470538.db2.gz DVLFOVYGIALVKD-GOSISDBHSA-N 2 1 286.419 2.287 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc4c3CCOC4)C2)C1 ZINC000639653548 371470540 /nfs/dbraw/zinc/47/05/40/371470540.db2.gz DVLFOVYGIALVKD-GOSISDBHSA-N 2 1 286.419 2.287 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc4c3CCOC4)C2)C1 ZINC000639653548 371470544 /nfs/dbraw/zinc/47/05/44/371470544.db2.gz DVLFOVYGIALVKD-GOSISDBHSA-N 2 1 286.419 2.287 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000252715950 371472380 /nfs/dbraw/zinc/47/23/80/371472380.db2.gz XENPDRVZIHVZDN-CZUORRHYSA-N 2 1 274.408 2.094 20 0 CEADMP CCn1nccc1CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683068 371491522 /nfs/dbraw/zinc/49/15/22/371491522.db2.gz FVBHGIPTNDOUNW-UHFFFAOYSA-N 2 1 299.422 2.053 20 0 CEADMP CC(=O)c1ccccc1OCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253194659 371501119 /nfs/dbraw/zinc/50/11/19/371501119.db2.gz QLNRCEOCSZZGNY-DZGCQCFKSA-N 2 1 290.407 2.185 20 0 CEADMP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253194659 371501121 /nfs/dbraw/zinc/50/11/21/371501121.db2.gz QLNRCEOCSZZGNY-DZGCQCFKSA-N 2 1 290.407 2.185 20 0 CEADMP C[C@@H]1CCC[C@](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)([NH+](C)C)C1 ZINC000360239147 371508896 /nfs/dbraw/zinc/50/88/96/371508896.db2.gz ATKGFTDXIMCIKK-QZWWFDLISA-N 2 1 281.488 2.427 20 0 CEADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)nc(C)n1 ZINC000639755107 371545075 /nfs/dbraw/zinc/54/50/75/371545075.db2.gz FTZVBGFMKWHMKS-UHFFFAOYSA-N 2 1 274.412 2.011 20 0 CEADMP C[C@@H]1C[C@@H](C)CN(CC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC000639755152 371546144 /nfs/dbraw/zinc/54/61/44/371546144.db2.gz GXLOZMRVBGTAOD-IAGOWNOFSA-N 2 1 293.499 2.382 20 0 CEADMP C[C@@H]1C[C@@H](C)CN(CC[N@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC000639755152 371546153 /nfs/dbraw/zinc/54/61/53/371546153.db2.gz GXLOZMRVBGTAOD-IAGOWNOFSA-N 2 1 293.499 2.382 20 0 CEADMP Cc1cnc([C@@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC000639757144 371546685 /nfs/dbraw/zinc/54/66/85/371546685.db2.gz GZVSXPSABUVOGZ-CYBMUJFWSA-N 2 1 263.385 2.462 20 0 CEADMP Cc1csc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639756231 371547220 /nfs/dbraw/zinc/54/72/20/371547220.db2.gz RWXVFHJJKXNWHI-UHFFFAOYSA-N 2 1 265.426 2.369 20 0 CEADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767790 371554691 /nfs/dbraw/zinc/55/46/91/371554691.db2.gz SJZORZKWKQQEMW-LSDHHAIUSA-N 2 1 256.434 2.057 20 0 CEADMP CCc1ccccc1C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767753 371555403 /nfs/dbraw/zinc/55/54/03/371555403.db2.gz RSXYHDJIHLJNMH-KRWDZBQOSA-N 2 1 276.424 2.138 20 0 CEADMP CCc1ccccc1C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767753 371555407 /nfs/dbraw/zinc/55/54/07/371555407.db2.gz RSXYHDJIHLJNMH-KRWDZBQOSA-N 2 1 276.424 2.138 20 0 CEADMP CCCNC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000360954219 371559526 /nfs/dbraw/zinc/55/95/26/371559526.db2.gz FTMVHUMXSTUKBD-JYJNAYRXSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@H](NC1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261541743 371639577 /nfs/dbraw/zinc/63/95/77/371639577.db2.gz GEKJRWDWEXRRQV-RDJZCZTQSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261541743 371639579 /nfs/dbraw/zinc/63/95/79/371639579.db2.gz GEKJRWDWEXRRQV-RDJZCZTQSA-N 3 1 287.451 2.239 20 0 CEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261541743 371639581 /nfs/dbraw/zinc/63/95/81/371639581.db2.gz GEKJRWDWEXRRQV-RDJZCZTQSA-N 3 1 287.451 2.239 20 0 CEADMP C[N@H+](CCCc1ccsc1)CCCN1CC[NH+](C)CC1 ZINC000361085753 371642568 /nfs/dbraw/zinc/64/25/68/371642568.db2.gz JCQQOAKFFZDUGW-UHFFFAOYSA-N 2 1 295.496 2.250 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN[C@](C)(CC)c1ccc(F)cc1 ZINC000639930196 371679184 /nfs/dbraw/zinc/67/91/84/371679184.db2.gz ZTTJREDXOGHYCY-HZPDHXFCSA-N 2 1 282.403 2.353 20 0 CEADMP CCN(C)C[C@H](O)C[NH2+][C@](C)(CC)c1ccc(F)cc1 ZINC000639930196 371679194 /nfs/dbraw/zinc/67/91/94/371679194.db2.gz ZTTJREDXOGHYCY-HZPDHXFCSA-N 2 1 282.403 2.353 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@](C)(CC)c1ccc(F)cc1 ZINC000639930196 371679201 /nfs/dbraw/zinc/67/92/01/371679201.db2.gz ZTTJREDXOGHYCY-HZPDHXFCSA-N 2 1 282.403 2.353 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(CC)c1ccc(F)cc1 ZINC000639930196 371679214 /nfs/dbraw/zinc/67/92/14/371679214.db2.gz ZTTJREDXOGHYCY-HZPDHXFCSA-N 2 1 282.403 2.353 20 0 CEADMP C[N@H+](Cc1cnc2ccccc2c1)C1CC[NH2+]CC1 ZINC000261559528 371647456 /nfs/dbraw/zinc/64/74/56/371647456.db2.gz UUJXAOCLZOPHIM-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP C[N@@H+](Cc1cnc2ccccc2c1)C1CC[NH2+]CC1 ZINC000261559528 371647464 /nfs/dbraw/zinc/64/74/64/371647464.db2.gz UUJXAOCLZOPHIM-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP COc1cccc([C@@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261575319 371657237 /nfs/dbraw/zinc/65/72/37/371657237.db2.gz BLPKGIUSKTZPJW-CJNGLKHVSA-N 2 1 260.381 2.442 20 0 CEADMP CCC[C@@H](O)C[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639985646 371714349 /nfs/dbraw/zinc/71/43/49/371714349.db2.gz DIGBQXAWCSTOTO-OAHLLOKOSA-N 2 1 268.445 2.488 20 0 CEADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261754378 371720300 /nfs/dbraw/zinc/72/03/00/371720300.db2.gz NFPVNLQXWFPROI-CJNGLKHVSA-N 2 1 293.842 2.381 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261815059 371740682 /nfs/dbraw/zinc/74/06/82/371740682.db2.gz HXUGNZSRMOODTD-WFASDCNBSA-N 2 1 299.422 2.053 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000361170221 371696345 /nfs/dbraw/zinc/69/63/45/371696345.db2.gz XXJMXEIJZJHJAZ-KBPBESRZSA-N 2 1 299.422 2.100 20 0 CEADMP CC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CCOC1 ZINC000361175232 371698377 /nfs/dbraw/zinc/69/83/77/371698377.db2.gz MYOBQMIQRKGFKF-HOTGVXAUSA-N 2 1 296.455 2.036 20 0 CEADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC000261686148 371701177 /nfs/dbraw/zinc/70/11/77/371701177.db2.gz AQVFBBAQUMFBMW-INIZCTEOSA-N 2 1 295.471 2.276 20 0 CEADMP COc1ccccc1CC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261685828 371701651 /nfs/dbraw/zinc/70/16/51/371701651.db2.gz AKUAAEJTQZCKTE-INIZCTEOSA-N 2 1 262.397 2.169 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@H](CC(F)(F)F)[C@H]1C ZINC000640026121 371743428 /nfs/dbraw/zinc/74/34/28/371743428.db2.gz YDZZNEQZTZVXMP-LPWJVIDDSA-N 2 1 296.377 2.350 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@H](CC(F)(F)F)[C@H]1C ZINC000640026121 371743433 /nfs/dbraw/zinc/74/34/33/371743433.db2.gz YDZZNEQZTZVXMP-LPWJVIDDSA-N 2 1 296.377 2.350 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)C[C@H](CC(F)(F)F)[C@H]1C ZINC000640026121 371743439 /nfs/dbraw/zinc/74/34/39/371743439.db2.gz YDZZNEQZTZVXMP-LPWJVIDDSA-N 2 1 296.377 2.350 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)C[C@H](CC(F)(F)F)[C@H]1C ZINC000640026121 371743447 /nfs/dbraw/zinc/74/34/47/371743447.db2.gz YDZZNEQZTZVXMP-LPWJVIDDSA-N 2 1 296.377 2.350 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCO[C@H]3CCCCO3)CC[C@H]21 ZINC000361265939 371750551 /nfs/dbraw/zinc/75/05/51/371750551.db2.gz LRKFNABQOPNBTG-ZACQAIPSSA-N 2 1 296.455 2.336 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCO[C@H]3CCCCO3)CC[C@H]21 ZINC000361265939 371750559 /nfs/dbraw/zinc/75/05/59/371750559.db2.gz LRKFNABQOPNBTG-ZACQAIPSSA-N 2 1 296.455 2.336 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCO[C@H]3CCCCO3)CC[C@H]21 ZINC000361265939 371750568 /nfs/dbraw/zinc/75/05/68/371750568.db2.gz LRKFNABQOPNBTG-ZACQAIPSSA-N 2 1 296.455 2.336 20 0 CEADMP COc1ccc(OCC[N@@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261876184 371758334 /nfs/dbraw/zinc/75/83/34/371758334.db2.gz PWVFPCOMCYIRAL-MRXNPFEDSA-N 2 1 278.396 2.005 20 0 CEADMP C[N@@H+](CCOCc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261956047 371784199 /nfs/dbraw/zinc/78/41/99/371784199.db2.gz GQXYNNYKNJPXNY-INIZCTEOSA-N 2 1 262.397 2.135 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000361325496 371785243 /nfs/dbraw/zinc/78/52/43/371785243.db2.gz NJEDTAFAWDEHEP-HZPDHXFCSA-N 2 1 265.445 2.031 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000261985003 371790266 /nfs/dbraw/zinc/79/02/66/371790266.db2.gz RSWQMCQXXSKDFL-GDBMZVCRSA-N 2 1 290.455 2.485 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccnn1-c1ccccc1 ZINC000262011082 371799564 /nfs/dbraw/zinc/79/95/64/371799564.db2.gz VCURIQPPTBRPQW-ZIAGYGMSSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccnn1-c1ccccc1 ZINC000262011082 371799567 /nfs/dbraw/zinc/79/95/67/371799567.db2.gz VCURIQPPTBRPQW-ZIAGYGMSSA-N 2 1 270.380 2.041 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C2CCC2)CC1 ZINC000640106516 371818275 /nfs/dbraw/zinc/81/82/75/371818275.db2.gz IBCREZCRCLTKTE-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC000640106516 371818283 /nfs/dbraw/zinc/81/82/83/371818283.db2.gz IBCREZCRCLTKTE-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000640106516 371818294 /nfs/dbraw/zinc/81/82/94/371818294.db2.gz IBCREZCRCLTKTE-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]21 ZINC000262090504 371821280 /nfs/dbraw/zinc/82/12/80/371821280.db2.gz HXVXIGQOYQVGQN-RYQLBKOJSA-N 2 1 296.418 2.432 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC1CC[NH+](CC)CC1 ZINC000344075947 217039536 /nfs/dbraw/zinc/03/95/36/217039536.db2.gz NJTLGLYIBYATDL-CQSZACIVSA-N 2 1 255.450 2.181 20 0 CEADMP CC[N@@H+]1C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C)C1 ZINC000361528011 371898647 /nfs/dbraw/zinc/89/86/47/371898647.db2.gz UMGDAPWPNZXRSD-SOUVJXGZSA-N 2 1 269.477 2.283 20 0 CEADMP CCN1C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C)C1 ZINC000361528011 371898653 /nfs/dbraw/zinc/89/86/53/371898653.db2.gz UMGDAPWPNZXRSD-SOUVJXGZSA-N 2 1 269.477 2.283 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])[N@H+]1CCCC[C@H]1C ZINC000263102495 371929612 /nfs/dbraw/zinc/92/96/12/371929612.db2.gz ZOGARUHPIPLGKK-KCYZZUKISA-N 2 1 295.471 2.273 20 0 CEADMP CCCC[N@@H+](CCC)CCN1CC[NH+](CC)CC1 ZINC000344139301 217069450 /nfs/dbraw/zinc/06/94/50/217069450.db2.gz LFGYTVFVTBGCJB-UHFFFAOYSA-N 2 1 255.450 2.136 20 0 CEADMP CCCCNC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530157 372022433 /nfs/dbraw/zinc/02/24/33/372022433.db2.gz AJAOYWNMQNPTQY-INIZCTEOSA-N 2 1 297.487 2.489 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCCn1ccnc1 ZINC000640533441 372023954 /nfs/dbraw/zinc/02/39/54/372023954.db2.gz RSUNRVZJOKUPNP-UHFFFAOYSA-N 2 1 278.444 2.471 20 0 CEADMP CO[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000361749626 372052655 /nfs/dbraw/zinc/05/26/55/372052655.db2.gz KWOFXHHJTOULOD-UONOGXRCSA-N 2 1 251.374 2.129 20 0 CEADMP CC(C)CCNC(=[NH2+])NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000361805276 372079659 /nfs/dbraw/zinc/07/96/59/372079659.db2.gz YTSKIMGTGMJZLW-AGUYFDCRSA-N 2 1 266.433 2.019 20 0 CEADMP C[N@H+](Cc1ncccn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000361859535 372102689 /nfs/dbraw/zinc/10/26/89/372102689.db2.gz DYHKNZUPKCNXHP-UHFFFAOYSA-N 2 1 297.406 2.220 20 0 CEADMP CCn1cc([C@H](C)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cn1 ZINC000361979351 372157116 /nfs/dbraw/zinc/15/71/16/372157116.db2.gz AGQGNFYAKDTSES-XUJVJEKNSA-N 2 1 262.401 2.036 20 0 CEADMP CCn1cc([C@H](C)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cn1 ZINC000361979351 372157124 /nfs/dbraw/zinc/15/71/24/372157124.db2.gz AGQGNFYAKDTSES-XUJVJEKNSA-N 2 1 262.401 2.036 20 0 CEADMP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000361980138 372157184 /nfs/dbraw/zinc/15/71/84/372157184.db2.gz HNAZGIRLUCPSMH-UKRRQHHQSA-N 2 1 262.397 2.433 20 0 CEADMP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000361980138 372157186 /nfs/dbraw/zinc/15/71/86/372157186.db2.gz HNAZGIRLUCPSMH-UKRRQHHQSA-N 2 1 262.397 2.433 20 0 CEADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000268808806 372233524 /nfs/dbraw/zinc/23/35/24/372233524.db2.gz DHUNESOFQGCYMF-NVXWUHKLSA-N 2 1 276.424 2.411 20 0 CEADMP CCc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)s1 ZINC000268815855 372238099 /nfs/dbraw/zinc/23/80/99/372238099.db2.gz FYNPPQJELJPQOZ-STQMWFEESA-N 2 1 282.453 2.418 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000362180280 372257861 /nfs/dbraw/zinc/25/78/61/372257861.db2.gz PMXQPISEYPYPTF-LSDHHAIUSA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000362180280 372257866 /nfs/dbraw/zinc/25/78/66/372257866.db2.gz PMXQPISEYPYPTF-LSDHHAIUSA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCn2cncn2)cc1 ZINC000268862598 372261225 /nfs/dbraw/zinc/26/12/25/372261225.db2.gz VTKSXXFFTVGLIN-ZDUSSCGKSA-N 2 1 296.378 2.123 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2n[nH]cc2c1 ZINC000362325371 372313755 /nfs/dbraw/zinc/31/37/55/372313755.db2.gz RZXYOTYEQRYAOW-LLVKDONJSA-N 2 1 269.352 2.190 20 0 CEADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000269040819 372322730 /nfs/dbraw/zinc/32/27/30/372322730.db2.gz VGGUNTFXJVBQIG-BFYDXBDKSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269040819 372322731 /nfs/dbraw/zinc/32/27/31/372322731.db2.gz VGGUNTFXJVBQIG-BFYDXBDKSA-N 2 1 276.424 2.258 20 0 CEADMP Cc1ncc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c(C)n1 ZINC000269056316 372326914 /nfs/dbraw/zinc/32/69/14/372326914.db2.gz WXEVFHUNGZURQJ-QWRGUYRKSA-N 2 1 250.390 2.084 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1(C)C ZINC000344328742 217153352 /nfs/dbraw/zinc/15/33/52/217153352.db2.gz MJBFEJNUJDBJRS-UONOGXRCSA-N 2 1 252.402 2.042 20 0 CEADMP CCC[C@H]([NH3+])c1cn(Cc2c(C)cc(C)[nH+]c2C)nn1 ZINC000641187701 372379082 /nfs/dbraw/zinc/37/90/82/372379082.db2.gz QYRUJXZCQFSYPD-AWEZNQCLSA-N 2 1 273.384 2.447 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(Cl)o1 ZINC000344366191 217170652 /nfs/dbraw/zinc/17/06/52/217170652.db2.gz JCTOSYRTGSLZFU-GFCCVEGCSA-N 2 1 286.803 2.260 20 0 CEADMP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353387730 220058707 /nfs/dbraw/zinc/05/87/07/220058707.db2.gz OVWJDCYAWDGZFL-MWQQHZPXSA-N 2 1 290.455 2.290 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353387730 220058710 /nfs/dbraw/zinc/05/87/10/220058710.db2.gz OVWJDCYAWDGZFL-MWQQHZPXSA-N 3 1 290.455 2.290 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353387730 220058713 /nfs/dbraw/zinc/05/87/13/220058713.db2.gz OVWJDCYAWDGZFL-MWQQHZPXSA-N 3 1 290.455 2.290 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccccc1C ZINC000641772576 372715175 /nfs/dbraw/zinc/71/51/75/372715175.db2.gz ROZITZCXPRVCKF-INIZCTEOSA-N 2 1 264.413 2.177 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641802706 372745357 /nfs/dbraw/zinc/74/53/57/372745357.db2.gz AUFDELZHVALMJW-NWANDNLSSA-N 2 1 289.423 2.346 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C(C)(C)n1cncn1 ZINC000353414100 220069096 /nfs/dbraw/zinc/06/90/96/220069096.db2.gz RNSASEKQXQGQKW-LSDHHAIUSA-N 2 1 293.459 2.256 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C(C)(C)n1cncn1 ZINC000353414098 220069284 /nfs/dbraw/zinc/06/92/84/220069284.db2.gz RNSASEKQXQGQKW-GJZGRUSLSA-N 2 1 293.459 2.256 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000364616735 372772495 /nfs/dbraw/zinc/77/24/95/372772495.db2.gz UAKMHSMATGTSJV-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)[NH+](C)C ZINC000353442013 220086431 /nfs/dbraw/zinc/08/64/31/220086431.db2.gz CNGUPQYPMCMMTB-YYIAUSFCSA-N 2 1 281.488 2.425 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOC[C@@H]2CCCO2)[C@@H]2CCC[C@H]21 ZINC000353453671 220091076 /nfs/dbraw/zinc/09/10/76/220091076.db2.gz GKGJWYCANWLEQP-LUKYLMHMSA-N 2 1 296.455 2.035 20 0 CEADMP COCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000344628271 217255026 /nfs/dbraw/zinc/25/50/26/217255026.db2.gz MOMZDKQHLFEWNL-GOEBONIOSA-N 2 1 292.423 2.284 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000270600894 372862063 /nfs/dbraw/zinc/86/20/63/372862063.db2.gz GTPNBLMRJVNPTN-INIZCTEOSA-N 2 1 299.422 2.411 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000270600894 372862067 /nfs/dbraw/zinc/86/20/67/372862067.db2.gz GTPNBLMRJVNPTN-INIZCTEOSA-N 2 1 299.422 2.411 20 0 CEADMP Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cn2cc[nH+]c12 ZINC000333356397 205248050 /nfs/dbraw/zinc/24/80/50/205248050.db2.gz SCGIPNXOQAIIHB-VXGBXAGGSA-N 2 1 287.367 2.034 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000270814730 372963450 /nfs/dbraw/zinc/96/34/50/372963450.db2.gz ABQYNUCCVROTEQ-GOSISDBHSA-N 2 1 299.418 2.465 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000270814730 372963456 /nfs/dbraw/zinc/96/34/56/372963456.db2.gz ABQYNUCCVROTEQ-GOSISDBHSA-N 2 1 299.418 2.465 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643251849 372998638 /nfs/dbraw/zinc/99/86/38/372998638.db2.gz JQQBBFZYJWDMAW-DDBAPUKQSA-N 2 1 288.435 2.258 20 0 CEADMP Cc1ccnc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000353521901 220134116 /nfs/dbraw/zinc/13/41/16/220134116.db2.gz QUNDZCXYJIHFPB-MRXNPFEDSA-N 2 1 290.455 2.068 20 0 CEADMP Cc1nc(CN2CC[C@]3(CC[N@H+](C)C3)C2)nc2ccccc12 ZINC000366442135 373050618 /nfs/dbraw/zinc/05/06/18/373050618.db2.gz IJBIZBXPGNQZMV-SFHVURJKSA-N 2 1 296.418 2.466 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000643500635 373158811 /nfs/dbraw/zinc/15/88/11/373158811.db2.gz MDSDORZCQRCLGI-TTYIIPLBSA-N 2 1 251.399 2.385 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[NH2+]C1CC1 ZINC000643506368 373166473 /nfs/dbraw/zinc/16/64/73/373166473.db2.gz UHJBVXRYAOIOHB-CRAIPNDOSA-N 2 1 287.451 2.239 20 0 CEADMP Cc1csc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)n1 ZINC000643460678 373131159 /nfs/dbraw/zinc/13/11/59/373131159.db2.gz CSJZVOOXNCCDDQ-SNVBAGLBSA-N 2 1 262.382 2.152 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000643466360 373135157 /nfs/dbraw/zinc/13/51/57/373135157.db2.gz MHOZFCDZFNILPA-OLZOCXBDSA-N 2 1 296.798 2.471 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccccc1Cl ZINC000643467551 373137134 /nfs/dbraw/zinc/13/71/34/373137134.db2.gz UDISTMNUZLMODW-MELADBBJSA-N 2 1 268.788 2.497 20 0 CEADMP COc1nc(C)cc(C)c1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000643472501 373140773 /nfs/dbraw/zinc/14/07/73/373140773.db2.gz JBEKIYOPNKJZCZ-ABAIWWIYSA-N 2 1 277.412 2.185 20 0 CEADMP C[C@H]1CCOCC[NH+]1CCCCC[N@@H+]1CCOCC[C@@H]1C ZINC000367667925 373179520 /nfs/dbraw/zinc/17/95/20/373179520.db2.gz XNNPDOPSGPQRBL-IRXDYDNUSA-N 2 1 298.471 2.378 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])c(C)c1OC ZINC000643526771 373183076 /nfs/dbraw/zinc/18/30/76/373183076.db2.gz GBGBVLGWIMHJLT-ONGXEEELSA-N 2 1 252.358 2.010 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000643527702 373185582 /nfs/dbraw/zinc/18/55/82/373185582.db2.gz RGFZGWRZKNMODB-HUBLWGQQSA-N 2 1 266.360 2.230 20 0 CEADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000643542239 373199429 /nfs/dbraw/zinc/19/94/29/373199429.db2.gz GFSACNFSIOCGKK-DLBZAZTESA-N 2 1 273.424 2.021 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000353576008 220167015 /nfs/dbraw/zinc/16/70/15/220167015.db2.gz GOSFSLVOFNXJTE-IJEWVQPXSA-N 2 1 289.423 2.066 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000353576008 220167019 /nfs/dbraw/zinc/16/70/19/220167019.db2.gz GOSFSLVOFNXJTE-IJEWVQPXSA-N 2 1 289.423 2.066 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000643548093 373205852 /nfs/dbraw/zinc/20/58/52/373205852.db2.gz MFTOREHGKVTYNJ-UGUYLWEFSA-N 2 1 277.456 2.124 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000643548093 373205862 /nfs/dbraw/zinc/20/58/62/373205862.db2.gz MFTOREHGKVTYNJ-UGUYLWEFSA-N 3 1 277.456 2.124 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000643548093 373205866 /nfs/dbraw/zinc/20/58/66/373205866.db2.gz MFTOREHGKVTYNJ-UGUYLWEFSA-N 3 1 277.456 2.124 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000344943252 217363096 /nfs/dbraw/zinc/36/30/96/217363096.db2.gz GKRQIUJRLBHHSN-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@]1(C[NH2+][C@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000369184299 373353888 /nfs/dbraw/zinc/35/38/88/373353888.db2.gz PWPWNKLHRUKLOT-IRXDYDNUSA-N 2 1 274.408 2.277 20 0 CEADMP CC[C@@H](O)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000644522463 373508439 /nfs/dbraw/zinc/50/84/39/373508439.db2.gz AYYUNBWXGMZBHU-QLFBSQMISA-N 2 1 256.434 2.105 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CC=CCC1 ZINC000644529993 373513550 /nfs/dbraw/zinc/51/35/50/373513550.db2.gz WMKBOYWEUYDKHF-SJLPKXTDSA-N 2 1 288.435 2.425 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CC=CCC1 ZINC000644529993 373513556 /nfs/dbraw/zinc/51/35/56/373513556.db2.gz WMKBOYWEUYDKHF-SJLPKXTDSA-N 2 1 288.435 2.425 20 0 CEADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000345044070 217394621 /nfs/dbraw/zinc/39/46/21/217394621.db2.gz LXFJXNBZBAEWMC-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1cc(CC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)ccc1Cl ZINC000644651602 373583046 /nfs/dbraw/zinc/58/30/46/373583046.db2.gz DDIKIOVUULYESO-HNNXBMFYSA-N 2 1 296.842 2.236 20 0 CEADMP Cc1cc(CC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)ccc1Cl ZINC000644651602 373583052 /nfs/dbraw/zinc/58/30/52/373583052.db2.gz DDIKIOVUULYESO-HNNXBMFYSA-N 2 1 296.842 2.236 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ncccc2F)[C@@H]2CCC[C@@H]21 ZINC000353642768 220217077 /nfs/dbraw/zinc/21/70/77/220217077.db2.gz IITLFWBRGQQSJX-QEJZJMRPSA-N 2 1 293.386 2.062 20 0 CEADMP Cc1csc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000370396301 373647832 /nfs/dbraw/zinc/64/78/32/373647832.db2.gz TTXHYUQUXGBIBX-MCIONIFRSA-N 2 1 277.437 2.368 20 0 CEADMP CN(C)c1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000644784191 373680716 /nfs/dbraw/zinc/68/07/16/373680716.db2.gz MSZZSHBXGAPNDK-QGZVFWFLSA-N 2 1 273.424 2.280 20 0 CEADMP CN(C)c1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000644784191 373680731 /nfs/dbraw/zinc/68/07/31/373680731.db2.gz MSZZSHBXGAPNDK-QGZVFWFLSA-N 2 1 273.424 2.280 20 0 CEADMP CN(C)c1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000644784191 373680738 /nfs/dbraw/zinc/68/07/38/373680738.db2.gz MSZZSHBXGAPNDK-QGZVFWFLSA-N 2 1 273.424 2.280 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCCC[NH3+])cc1 ZINC000272906635 373704541 /nfs/dbraw/zinc/70/45/41/373704541.db2.gz DARIKBAOIKYZJO-UHFFFAOYSA-N 2 1 291.439 2.387 20 0 CEADMP C[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272947972 373729741 /nfs/dbraw/zinc/72/97/41/373729741.db2.gz UWOSPGWLHYORFE-DZKIICNBSA-N 2 1 262.397 2.010 20 0 CEADMP C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272947972 373729750 /nfs/dbraw/zinc/72/97/50/373729750.db2.gz UWOSPGWLHYORFE-DZKIICNBSA-N 2 1 262.397 2.010 20 0 CEADMP O[C@@H]1CCCC[C@@H]1[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371205698 373811293 /nfs/dbraw/zinc/81/12/93/373811293.db2.gz VADAYUFBJQCDDD-YESZJQIVSA-N 2 1 280.456 2.488 20 0 CEADMP OCc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000371497479 373902827 /nfs/dbraw/zinc/90/28/27/373902827.db2.gz PRDTXYWTJMHMFS-SQNIBIBYSA-N 2 1 286.419 2.095 20 0 CEADMP OCc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000371497479 373902830 /nfs/dbraw/zinc/90/28/30/373902830.db2.gz PRDTXYWTJMHMFS-SQNIBIBYSA-N 2 1 286.419 2.095 20 0 CEADMP OCc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000371497479 373902833 /nfs/dbraw/zinc/90/28/33/373902833.db2.gz PRDTXYWTJMHMFS-SQNIBIBYSA-N 2 1 286.419 2.095 20 0 CEADMP CC[NH+]1CCC([N@H+](CCC(C)(C)O)C2CC2)CC1 ZINC000371476628 373895302 /nfs/dbraw/zinc/89/53/02/373895302.db2.gz DFFZGKNBDAQFLY-UHFFFAOYSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+]1CCC([N@@H+](CCC(C)(C)O)C2CC2)CC1 ZINC000371476628 373895306 /nfs/dbraw/zinc/89/53/06/373895306.db2.gz DFFZGKNBDAQFLY-UHFFFAOYSA-N 2 1 254.418 2.096 20 0 CEADMP OCc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000371497477 373902162 /nfs/dbraw/zinc/90/21/62/373902162.db2.gz PRDTXYWTJMHMFS-KZNAEPCWSA-N 2 1 286.419 2.095 20 0 CEADMP OCc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000371497477 373902166 /nfs/dbraw/zinc/90/21/66/373902166.db2.gz PRDTXYWTJMHMFS-KZNAEPCWSA-N 2 1 286.419 2.095 20 0 CEADMP OCc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000371497477 373902173 /nfs/dbraw/zinc/90/21/73/373902173.db2.gz PRDTXYWTJMHMFS-KZNAEPCWSA-N 2 1 286.419 2.095 20 0 CEADMP CC(C)CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000371577469 373927254 /nfs/dbraw/zinc/92/72/54/373927254.db2.gz XTFHMMMXHCPRKV-INIZCTEOSA-N 2 1 267.461 2.134 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@@H]([NH+](C)C)CC3)c2c1C ZINC000645226014 373931542 /nfs/dbraw/zinc/93/15/42/373931542.db2.gz MWFLEKWFNVVSHZ-CYBMUJFWSA-N 2 1 287.411 2.495 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2Cc3ccccc3O2)CC[N@@H+]1C ZINC000372017413 374023408 /nfs/dbraw/zinc/02/34/08/374023408.db2.gz NZVUFIHGNNNQIK-VNQPRFMTSA-N 2 1 274.408 2.405 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2Cc3ccccc3O2)CC[N@H+]1C ZINC000372017413 374023417 /nfs/dbraw/zinc/02/34/17/374023417.db2.gz NZVUFIHGNNNQIK-VNQPRFMTSA-N 2 1 274.408 2.405 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2Cc3ccccc3O2)CC[NH+]1C ZINC000372017413 374023426 /nfs/dbraw/zinc/02/34/26/374023426.db2.gz NZVUFIHGNNNQIK-VNQPRFMTSA-N 2 1 274.408 2.405 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2Cc3ccccc3O2)CC[NH+]1C ZINC000372017413 374023435 /nfs/dbraw/zinc/02/34/35/374023435.db2.gz NZVUFIHGNNNQIK-VNQPRFMTSA-N 2 1 274.408 2.405 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](NCCC[NH+]2CCC(C)CC2)C1 ZINC000343113858 220248814 /nfs/dbraw/zinc/24/88/14/220248814.db2.gz ZSMQOVHJXVUZIK-HZPDHXFCSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000645560938 374108954 /nfs/dbraw/zinc/10/89/54/374108954.db2.gz IJMYHXHPOBEWFM-MAZHCROVSA-N 2 1 287.407 2.063 20 0 CEADMP COC(=O)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000275051538 374139788 /nfs/dbraw/zinc/13/97/88/374139788.db2.gz SZNWNWMKPMUHHR-CJNGLKHVSA-N 2 1 290.407 2.245 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000275051538 374139793 /nfs/dbraw/zinc/13/97/93/374139793.db2.gz SZNWNWMKPMUHHR-CJNGLKHVSA-N 2 1 290.407 2.245 20 0 CEADMP COC(=O)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000275051538 374139803 /nfs/dbraw/zinc/13/98/03/374139803.db2.gz SZNWNWMKPMUHHR-CJNGLKHVSA-N 2 1 290.407 2.245 20 0 CEADMP COC(=O)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000275051538 374139814 /nfs/dbraw/zinc/13/98/14/374139814.db2.gz SZNWNWMKPMUHHR-CJNGLKHVSA-N 2 1 290.407 2.245 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000372498411 374143931 /nfs/dbraw/zinc/14/39/31/374143931.db2.gz VRNJKXQRXROSAJ-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C[C@H]2Cc3ccccc3O2)C1 ZINC000372788042 374199689 /nfs/dbraw/zinc/19/96/89/374199689.db2.gz ZMMLONNHLJKEDF-GDBMZVCRSA-N 2 1 274.408 2.264 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2Cc3ccccc3O2)C1 ZINC000372788042 374199694 /nfs/dbraw/zinc/19/96/94/374199694.db2.gz ZMMLONNHLJKEDF-GDBMZVCRSA-N 2 1 274.408 2.264 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2Cc3ccccc3O2)C1 ZINC000372788042 374199699 /nfs/dbraw/zinc/19/96/99/374199699.db2.gz ZMMLONNHLJKEDF-GDBMZVCRSA-N 2 1 274.408 2.264 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2Cc3ccccc3O2)C1 ZINC000372788042 374199706 /nfs/dbraw/zinc/19/97/06/374199706.db2.gz ZMMLONNHLJKEDF-GDBMZVCRSA-N 2 1 274.408 2.264 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2Cc3ccccc3O2)C1 ZINC000372788042 374199712 /nfs/dbraw/zinc/19/97/12/374199712.db2.gz ZMMLONNHLJKEDF-GDBMZVCRSA-N 2 1 274.408 2.264 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc([S@@](C)=O)cc1 ZINC000276627424 374241503 /nfs/dbraw/zinc/24/15/03/374241503.db2.gz IVEJVIRRRBFYFV-MPBGBICISA-N 2 1 291.420 2.051 20 0 CEADMP COC(=O)c1coc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000373028284 374246796 /nfs/dbraw/zinc/24/67/96/374246796.db2.gz XZHKNALSZQYNPJ-IACUBPJLSA-N 2 1 292.379 2.344 20 0 CEADMP CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[NH+](C)C ZINC000373876509 374437732 /nfs/dbraw/zinc/43/77/32/374437732.db2.gz PPQRSCOURUQGPB-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1cc[nH]n1)CC2)C1CC1 ZINC000374282482 374530994 /nfs/dbraw/zinc/53/09/94/374530994.db2.gz HOJSZEJFIHTZQN-CYBMUJFWSA-N 2 1 274.412 2.106 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CC[C@H]([C@@H]4CCOC4)C3)cn2)cn1 ZINC000374409080 374565551 /nfs/dbraw/zinc/56/55/51/374565551.db2.gz BHZQHQBSNMOICU-JKSUJKDBSA-N 2 1 298.390 2.126 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(F)c2)CCCO1 ZINC000277973879 374696669 /nfs/dbraw/zinc/69/66/69/374696669.db2.gz STIBKGMDZVCCPI-CQSZACIVSA-N 2 1 280.387 2.416 20 0 CEADMP C=Cn1cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cn1 ZINC000278202707 374748596 /nfs/dbraw/zinc/74/85/96/374748596.db2.gz JIVXBJUJIGFWKL-CYBMUJFWSA-N 2 1 257.341 2.086 20 0 CEADMP C[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000376753388 374729893 /nfs/dbraw/zinc/72/98/93/374729893.db2.gz XVTLBBNXTMLAIE-MRXNPFEDSA-N 2 1 288.435 2.355 20 0 CEADMP Cc1cccc(NCCC[N@@H+]2CCCO[C@@H](C)C2)[nH+]1 ZINC000278172828 374741700 /nfs/dbraw/zinc/74/17/00/374741700.db2.gz PCRSRJMLFQHEDB-AWEZNQCLSA-N 2 1 263.385 2.303 20 0 CEADMP Cc1cccc(NCCC[N@H+]2CCCO[C@@H](C)C2)[nH+]1 ZINC000278172828 374741704 /nfs/dbraw/zinc/74/17/04/374741704.db2.gz PCRSRJMLFQHEDB-AWEZNQCLSA-N 2 1 263.385 2.303 20 0 CEADMP CC(C)c1noc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)n1 ZINC000377263058 374826013 /nfs/dbraw/zinc/82/60/13/374826013.db2.gz VFDHCGKBOSCFFA-GFCCVEGCSA-N 2 1 289.383 2.306 20 0 CEADMP CC(C)c1noc(CN2CCC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000377263058 374826019 /nfs/dbraw/zinc/82/60/19/374826019.db2.gz VFDHCGKBOSCFFA-GFCCVEGCSA-N 2 1 289.383 2.306 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)OC(C)(C)C)CC1 ZINC000377267240 374827725 /nfs/dbraw/zinc/82/77/25/374827725.db2.gz OFWAYCPDFBISDD-CYBMUJFWSA-N 2 1 270.417 2.134 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)OC(C)(C)C)CC1 ZINC000377267240 374827728 /nfs/dbraw/zinc/82/77/28/374827728.db2.gz OFWAYCPDFBISDD-CYBMUJFWSA-N 2 1 270.417 2.134 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000377751412 374942886 /nfs/dbraw/zinc/94/28/86/374942886.db2.gz XHHHYXYTUGVFNQ-HNNXBMFYSA-N 2 1 267.461 2.134 20 0 CEADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1O ZINC000377625251 374904462 /nfs/dbraw/zinc/90/44/62/374904462.db2.gz LXDICKXPDWHCMJ-YIONKMFJSA-N 2 1 290.407 2.458 20 0 CEADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1O ZINC000377625251 374904467 /nfs/dbraw/zinc/90/44/67/374904467.db2.gz LXDICKXPDWHCMJ-YIONKMFJSA-N 2 1 290.407 2.458 20 0 CEADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1O ZINC000377625251 374904475 /nfs/dbraw/zinc/90/44/75/374904475.db2.gz LXDICKXPDWHCMJ-YIONKMFJSA-N 2 1 290.407 2.458 20 0 CEADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1O ZINC000377625251 374904481 /nfs/dbraw/zinc/90/44/81/374904481.db2.gz LXDICKXPDWHCMJ-YIONKMFJSA-N 2 1 290.407 2.458 20 0 CEADMP Cc1[nH+]c(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2n1CCCC2 ZINC000378431179 375099203 /nfs/dbraw/zinc/09/92/03/375099203.db2.gz NXTIUYZWONJVSN-HUUCEWRRSA-N 2 1 288.439 2.244 20 0 CEADMP Cc1[nH+]c(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2n1CCCC2 ZINC000378431179 375099208 /nfs/dbraw/zinc/09/92/08/375099208.db2.gz NXTIUYZWONJVSN-HUUCEWRRSA-N 2 1 288.439 2.244 20 0 CEADMP CC1(C)C[N@@H+](Cc2cccc3nccn32)CCCO1 ZINC000378444308 375100891 /nfs/dbraw/zinc/10/08/91/375100891.db2.gz PFKLISXGZPWERH-UHFFFAOYSA-N 2 1 259.353 2.335 20 0 CEADMP C[C@H](C[NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658512 375155977 /nfs/dbraw/zinc/15/59/77/375155977.db2.gz WNVIQEMDHFBEEN-HLLBOEOZSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379658512 375155982 /nfs/dbraw/zinc/15/59/82/375155982.db2.gz WNVIQEMDHFBEEN-HLLBOEOZSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658512 375155991 /nfs/dbraw/zinc/15/59/91/375155991.db2.gz WNVIQEMDHFBEEN-HLLBOEOZSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658512 375156001 /nfs/dbraw/zinc/15/60/01/375156001.db2.gz WNVIQEMDHFBEEN-HLLBOEOZSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@@H]1C[C@H](NCC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379657164 375156835 /nfs/dbraw/zinc/15/68/35/375156835.db2.gz RWTMNOYCSFMGCE-GDBMZVCRSA-N 2 1 275.440 2.366 20 0 CEADMP Cc1cc(C)cc(OCCC[N@@H+](C)[C@H](C)C[NH3+])c1 ZINC000383017172 375197222 /nfs/dbraw/zinc/19/72/22/375197222.db2.gz KKVQQDBTCYEVJC-CQSZACIVSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1cc(C)cc(OCCC[N@H+](C)[C@H](C)C[NH3+])c1 ZINC000383017172 375197232 /nfs/dbraw/zinc/19/72/32/375197232.db2.gz KKVQQDBTCYEVJC-CQSZACIVSA-N 2 1 250.386 2.351 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCC(F)(F)C1)C2 ZINC000385203710 375229243 /nfs/dbraw/zinc/22/92/43/375229243.db2.gz VADBBOQMWQTUKX-AVGNSLFASA-N 2 1 258.356 2.483 20 0 CEADMP CCc1cc(N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)nc(C)[nH+]1 ZINC000397286775 375339440 /nfs/dbraw/zinc/33/94/40/375339440.db2.gz VASYWFRHWOXHCQ-LOWVWBTDSA-N 2 1 262.401 2.157 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399074252 375356323 /nfs/dbraw/zinc/35/63/23/375356323.db2.gz OUHOZUXHYLHRJB-MVJTYMMSSA-N 2 1 287.451 2.237 20 0 CEADMP CC[C@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)OC ZINC000412974501 375772332 /nfs/dbraw/zinc/77/23/32/375772332.db2.gz BAJKFZDMCBQJPL-LSDHHAIUSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000414254317 375805445 /nfs/dbraw/zinc/80/54/45/375805445.db2.gz ZWPSWYRJSCCAQI-XZDPQHSOSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](C)CCOc2ccccc2)CC[NH2+]1 ZINC000414674002 375911500 /nfs/dbraw/zinc/91/15/00/375911500.db2.gz RQXGZUGGLPVPCQ-GJZGRUSLSA-N 2 1 262.397 2.385 20 0 CEADMP C[C@H](C1CCCCC1)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414764744 375954552 /nfs/dbraw/zinc/95/45/52/375954552.db2.gz ZCLRHAUADLPFAH-CABCVRRESA-N 2 1 295.471 2.084 20 0 CEADMP CCOC(=O)CC(C)(C)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414763958 375955658 /nfs/dbraw/zinc/95/56/58/375955658.db2.gz YIOYNDSEZKPOKX-OLZOCXBDSA-N 2 1 270.417 2.038 20 0 CEADMP Cc1ccn2c(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cnc2c1 ZINC000414769015 375959430 /nfs/dbraw/zinc/95/94/30/375959430.db2.gz MXZGKBJESUKIGS-GASCZTMLSA-N 2 1 284.407 2.074 20 0 CEADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CCC(C)(C)CC1 ZINC000414698152 375926329 /nfs/dbraw/zinc/92/63/29/375926329.db2.gz IQGLBZTYLFJPFR-CQSZACIVSA-N 2 1 295.471 2.084 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000414707211 375931690 /nfs/dbraw/zinc/93/16/90/375931690.db2.gz YPTHYEFHDZFFEG-DOTOQJQBSA-N 2 1 290.455 2.134 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414706482 375932667 /nfs/dbraw/zinc/93/26/67/375932667.db2.gz MTGAUMWAKDNJAV-OWCLPIDISA-N 2 1 295.471 2.084 20 0 CEADMP Cc1ccc(CC[N@@H+](CCC[NH3+])C[C@@H]2CCCO2)cc1 ZINC000414712572 375935190 /nfs/dbraw/zinc/93/51/90/375935190.db2.gz UQLKBAIVYLOBLM-KRWDZBQOSA-N 2 1 276.424 2.367 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414715783 375938438 /nfs/dbraw/zinc/93/84/38/375938438.db2.gz XPFISZCLXUAMCS-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP CCCN1CCC([N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414715783 375938443 /nfs/dbraw/zinc/93/84/43/375938443.db2.gz XPFISZCLXUAMCS-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP CCCN1CCC([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414715783 375938449 /nfs/dbraw/zinc/93/84/49/375938449.db2.gz XPFISZCLXUAMCS-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C3CCOCC3)C2)CC[NH2+]1 ZINC000414745614 375947877 /nfs/dbraw/zinc/94/78/77/375947877.db2.gz PRMLSOQSNRNXGG-YCPHGPKFSA-N 2 1 266.429 2.123 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1cnc2cc(C)ccn12 ZINC000414808081 375993509 /nfs/dbraw/zinc/99/35/09/375993509.db2.gz JYGRHJMOEXQGCZ-UHFFFAOYSA-N 2 1 260.385 2.250 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000414808838 375996097 /nfs/dbraw/zinc/99/60/97/375996097.db2.gz UJNPNAPHNLLYIL-UHFFFAOYSA-N 2 1 272.352 2.096 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414815670 376002326 /nfs/dbraw/zinc/00/23/26/376002326.db2.gz YBNXNLFMSBBTAC-UHFFFAOYSA-N 2 1 260.385 2.180 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000414926553 376013623 /nfs/dbraw/zinc/01/36/23/376013623.db2.gz NLADPKVWPRRMTO-USXIJHARSA-N 2 1 273.424 2.164 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C[C@H]1C[NH3+] ZINC000415134318 376022558 /nfs/dbraw/zinc/02/25/58/376022558.db2.gz VYHKQCPUEGHNBZ-VXGBXAGGSA-N 2 1 264.417 2.124 20 0 CEADMP COCC[N@@H+](CCCn1ccnc1C)Cc1ccccn1 ZINC000286724236 376046354 /nfs/dbraw/zinc/04/63/54/376046354.db2.gz BHPUYMDXVIUYAX-UHFFFAOYSA-N 2 1 288.395 2.125 20 0 CEADMP COCC[N@H+](CCCn1cc[nH+]c1C)Cc1ccccn1 ZINC000286724236 376046361 /nfs/dbraw/zinc/04/63/61/376046361.db2.gz BHPUYMDXVIUYAX-UHFFFAOYSA-N 2 1 288.395 2.125 20 0 CEADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414803315 375989787 /nfs/dbraw/zinc/98/97/87/375989787.db2.gz NPTWVBHTHIXUEH-IUODEOHRSA-N 2 1 275.396 2.039 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1OC(F)F ZINC000414806519 375991270 /nfs/dbraw/zinc/99/12/70/375991270.db2.gz ZMJGVZIIEAKDKN-LLVKDONJSA-N 2 1 288.338 2.370 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000414805516 375991417 /nfs/dbraw/zinc/99/14/17/375991417.db2.gz YTSRCCYDHNNYSE-OAHLLOKOSA-N 2 1 286.379 2.342 20 0 CEADMP CCC(O)(CC)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000305845189 376518384 /nfs/dbraw/zinc/51/83/84/376518384.db2.gz SIAVFVHDVYFSJQ-AWEZNQCLSA-N 2 1 256.434 2.344 20 0 CEADMP CCC(O)(CC)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000305845189 376518394 /nfs/dbraw/zinc/51/83/94/376518394.db2.gz SIAVFVHDVYFSJQ-AWEZNQCLSA-N 2 1 256.434 2.344 20 0 CEADMP CCC(O)(CC)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000305845189 376518397 /nfs/dbraw/zinc/51/83/97/376518397.db2.gz SIAVFVHDVYFSJQ-AWEZNQCLSA-N 2 1 256.434 2.344 20 0 CEADMP CCc1ccc([C@H](CO)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000305769230 376483780 /nfs/dbraw/zinc/48/37/80/376483780.db2.gz MABIXYWDQCOZCU-SQNIBIBYSA-N 2 1 288.435 2.499 20 0 CEADMP CCc1ccc([C@H](CO)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000305769230 376483788 /nfs/dbraw/zinc/48/37/88/376483788.db2.gz MABIXYWDQCOZCU-SQNIBIBYSA-N 2 1 288.435 2.499 20 0 CEADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCO)CC1 ZINC000264099751 190091746 /nfs/dbraw/zinc/09/17/46/190091746.db2.gz RKOVBXDGEVRWHW-UHFFFAOYSA-N 2 1 276.424 2.213 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000305966996 376533282 /nfs/dbraw/zinc/53/32/82/376533282.db2.gz GDZHTTQWTABUAV-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000310006033 376612043 /nfs/dbraw/zinc/61/20/43/376612043.db2.gz VMBVDXXUQJPPNY-BFYDXBDKSA-N 2 1 275.440 2.189 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000310006033 376612050 /nfs/dbraw/zinc/61/20/50/376612050.db2.gz VMBVDXXUQJPPNY-BFYDXBDKSA-N 2 1 275.440 2.189 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000290085875 376637619 /nfs/dbraw/zinc/63/76/19/376637619.db2.gz VLVBTHOASIQGRP-FUHWJXTLSA-N 2 1 290.451 2.395 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290085875 376637629 /nfs/dbraw/zinc/63/76/29/376637629.db2.gz VLVBTHOASIQGRP-FUHWJXTLSA-N 2 1 290.451 2.395 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290085875 376637636 /nfs/dbraw/zinc/63/76/36/376637636.db2.gz VLVBTHOASIQGRP-FUHWJXTLSA-N 2 1 290.451 2.395 20 0 CEADMP CC[C@@H](Cc1ccccc1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290085875 376637641 /nfs/dbraw/zinc/63/76/41/376637641.db2.gz VLVBTHOASIQGRP-FUHWJXTLSA-N 2 1 290.451 2.395 20 0 CEADMP CC[C@@H](Cc1ccccc1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290085875 376637651 /nfs/dbraw/zinc/63/76/51/376637651.db2.gz VLVBTHOASIQGRP-FUHWJXTLSA-N 2 1 290.451 2.395 20 0 CEADMP CCc1nc(NCC[N@@H+](C)[C@@H](C)CC)cc(C)[nH+]1 ZINC000310898172 376642577 /nfs/dbraw/zinc/64/25/77/376642577.db2.gz BCWGETFGHROLJF-LBPRGKRZSA-N 2 1 250.390 2.490 20 0 CEADMP CCc1nc(NCC[N@H+](C)[C@@H](C)CC)cc(C)[nH+]1 ZINC000310898172 376642584 /nfs/dbraw/zinc/64/25/84/376642584.db2.gz BCWGETFGHROLJF-LBPRGKRZSA-N 2 1 250.390 2.490 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000311578643 376677172 /nfs/dbraw/zinc/67/71/72/376677172.db2.gz STRCRKVYNSJGLE-CABCVRRESA-N 2 1 266.429 2.267 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)ccn1 ZINC000559893637 376699551 /nfs/dbraw/zinc/69/95/51/376699551.db2.gz HKNJFSNKPYUFEX-ZIAGYGMSSA-N 2 1 277.412 2.473 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCCF)CC2)CC1 ZINC000420984092 376757199 /nfs/dbraw/zinc/75/71/99/376757199.db2.gz SFAMWVRYIAFLIJ-UHFFFAOYSA-N 2 1 285.451 2.228 20 0 CEADMP OCC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000421007199 376782008 /nfs/dbraw/zinc/78/20/08/376782008.db2.gz BYMQNIABMWOULQ-MRXNPFEDSA-N 2 1 268.445 2.347 20 0 CEADMP C[N@@H+](Cc1ccc(O)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685466474 542145941 /nfs/dbraw/zinc/14/59/41/542145941.db2.gz ZDFVKBSEDMTWFV-AWEZNQCLSA-N 2 1 271.364 2.283 20 0 CEADMP C[N@H+](Cc1ccc(O)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685466474 542145944 /nfs/dbraw/zinc/14/59/44/542145944.db2.gz ZDFVKBSEDMTWFV-AWEZNQCLSA-N 2 1 271.364 2.283 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(O)cc2)C1 ZINC000685470677 542147868 /nfs/dbraw/zinc/14/78/68/542147868.db2.gz HNSREMHYHHEPMV-HOCLYGCPSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(O)cc2)C1 ZINC000685470677 542147872 /nfs/dbraw/zinc/14/78/72/542147872.db2.gz HNSREMHYHHEPMV-HOCLYGCPSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(O)cc2)C1 ZINC000685470677 542147876 /nfs/dbraw/zinc/14/78/76/542147876.db2.gz HNSREMHYHHEPMV-HOCLYGCPSA-N 2 1 260.381 2.308 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2(OC)CCCCC2)C1 ZINC000319636204 376817096 /nfs/dbraw/zinc/81/70/96/376817096.db2.gz MQNGRDCDWLHHRM-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000422900538 376859091 /nfs/dbraw/zinc/85/90/91/376859091.db2.gz QPWAVHHZTZSAAX-HPBDAGMYSA-N 2 1 287.451 2.161 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000423078583 376972293 /nfs/dbraw/zinc/97/22/93/376972293.db2.gz WHOWYOMGFHLENS-OAGGEKHMSA-N 2 1 265.445 2.253 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000423078583 376972301 /nfs/dbraw/zinc/97/23/01/376972301.db2.gz WHOWYOMGFHLENS-OAGGEKHMSA-N 2 1 265.445 2.253 20 0 CEADMP C[C@H](NC[C@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000423082267 376974830 /nfs/dbraw/zinc/97/48/30/376974830.db2.gz CURPALAVNFZWDL-RRFJBIMHSA-N 2 1 267.461 2.227 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422998072 376914767 /nfs/dbraw/zinc/91/47/67/376914767.db2.gz PKJVBBFCDSPCJH-LSDHHAIUSA-N 3 1 255.450 2.071 20 0 CEADMP CCC(CC)[C@H](CC[NH2+][C@H]1C[NH2+]CC[C@H]1C)OC ZINC000423002079 376920031 /nfs/dbraw/zinc/92/00/31/376920031.db2.gz YHLCIDYOPINILM-SNPRPXQTSA-N 2 1 256.434 2.415 20 0 CEADMP CC[C@@H](NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423084536 376977683 /nfs/dbraw/zinc/97/76/83/376977683.db2.gz IHALYTSOELKMLW-ILXRZTDVSA-N 2 1 267.461 2.227 20 0 CEADMP Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000423068472 376959864 /nfs/dbraw/zinc/95/98/64/376959864.db2.gz JXVXYNDYSNBGEF-HIFRSBDPSA-N 2 1 285.391 2.057 20 0 CEADMP CC(C)=CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423073158 376964284 /nfs/dbraw/zinc/96/42/84/376964284.db2.gz QUFSPZYQJBTQFD-KFWWJZLASA-N 2 1 252.402 2.089 20 0 CEADMP C[C@@H](NCC[N@H+]1CCCC(C)(C)C1)[C@H]1CCCC[NH2+]1 ZINC000423074353 376966544 /nfs/dbraw/zinc/96/65/44/376966544.db2.gz LIKIMWDACSKNAJ-HUUCEWRRSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000423077494 376969107 /nfs/dbraw/zinc/96/91/07/376969107.db2.gz UBQSGGHGHBSDMB-CABCVRRESA-N 2 1 267.461 2.086 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000423077494 376969115 /nfs/dbraw/zinc/96/91/15/376969115.db2.gz UBQSGGHGHBSDMB-CABCVRRESA-N 2 1 267.461 2.086 20 0 CEADMP C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1c[nH+]ccc1N ZINC000423119512 377015502 /nfs/dbraw/zinc/01/55/02/377015502.db2.gz CSMQTJDXDJGKJI-OWQGQXMQSA-N 2 1 297.402 2.311 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000423122242 377017964 /nfs/dbraw/zinc/01/79/64/377017964.db2.gz BYHUADDHOROEET-UMVBOHGHSA-N 2 1 277.387 2.135 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423126625 377025536 /nfs/dbraw/zinc/02/55/36/377025536.db2.gz SABZRYOADXZMHG-MAZHCROVSA-N 2 1 261.413 2.450 20 0 CEADMP COC[C@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000562946036 377030769 /nfs/dbraw/zinc/03/07/69/377030769.db2.gz IDVJPCAJJFBUQE-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP COC[C@H](C)C[NH2+]C[C@@H]1CCCC[N@H+]1CC(C)C ZINC000562946036 377030773 /nfs/dbraw/zinc/03/07/73/377030773.db2.gz IDVJPCAJJFBUQE-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)C1CC1 ZINC000562955967 377034093 /nfs/dbraw/zinc/03/40/93/377034093.db2.gz QDHLCLXHYDRFQF-IMJJTQAJSA-N 2 1 259.397 2.435 20 0 CEADMP CC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423142647 377040979 /nfs/dbraw/zinc/04/09/79/377040979.db2.gz AXVRCBSJRKSHGP-XQQFMLRXSA-N 2 1 276.371 2.169 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000423089978 376981940 /nfs/dbraw/zinc/98/19/40/376981940.db2.gz WHQOYBAIGWLENJ-SOLBZPMBSA-N 2 1 287.451 2.491 20 0 CEADMP CC1(C)C(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1(C)C ZINC000423092495 376984515 /nfs/dbraw/zinc/98/45/15/376984515.db2.gz CAVOYTGJFCJVGJ-MCIONIFRSA-N 2 1 280.456 2.415 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000423100130 376992750 /nfs/dbraw/zinc/99/27/50/376992750.db2.gz GGUCJIDKJQTEHI-KGLIPLIRSA-N 2 1 272.396 2.147 20 0 CEADMP Cc1cccc(CCC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)n1 ZINC000423111140 377006401 /nfs/dbraw/zinc/00/64/01/377006401.db2.gz VXVRQOSIYQESBL-HOCLYGCPSA-N 2 1 261.413 2.443 20 0 CEADMP CC[C@H]([NH2+]C[C@](C)(CO)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423113650 377007748 /nfs/dbraw/zinc/00/77/48/377007748.db2.gz USDIXZUBIOHMRL-RCCFBDPRSA-N 2 1 290.451 2.447 20 0 CEADMP CC[C@H]([NH2+]CCc1cc(C)no1)[C@@H]1CCCC[NH2+]1 ZINC000423115501 377010377 /nfs/dbraw/zinc/01/03/77/377010377.db2.gz YBIIAFQKUGFYPA-KBPBESRZSA-N 2 1 251.374 2.036 20 0 CEADMP [NH3+]CCC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000423196035 377110768 /nfs/dbraw/zinc/11/07/68/377110768.db2.gz ULCHXSKMKKGCHS-HNNXBMFYSA-N 2 1 259.328 2.249 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](C)c1cnc(OC)c(Cl)c1 ZINC000423200099 377115636 /nfs/dbraw/zinc/11/56/36/377115636.db2.gz LRCVZAZALYZLQS-SECBINFHSA-N 2 1 257.765 2.004 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000423203689 377120388 /nfs/dbraw/zinc/12/03/88/377120388.db2.gz SYEUAUWYEHNIBU-ILXRZTDVSA-N 2 1 267.461 2.356 20 0 CEADMP CCC1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCCCC1 ZINC000563011454 377058339 /nfs/dbraw/zinc/05/83/39/377058339.db2.gz KATYEJAYJXMURI-HNNXBMFYSA-N 2 1 268.445 2.392 20 0 CEADMP CCC1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCCCC1 ZINC000563011454 377058350 /nfs/dbraw/zinc/05/83/50/377058350.db2.gz KATYEJAYJXMURI-HNNXBMFYSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@H]([NH2+][C@H]1CCO[C@H](c2ccncc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423158388 377062000 /nfs/dbraw/zinc/06/20/00/377062000.db2.gz WPVJYWRWLPEKPQ-LLLHUVSDSA-N 2 1 289.423 2.422 20 0 CEADMP C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccncc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423158391 377062419 /nfs/dbraw/zinc/06/24/19/377062419.db2.gz WPVJYWRWLPEKPQ-QMCVQRASSA-N 2 1 289.423 2.422 20 0 CEADMP COc1cc(F)cc(C[C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000423168635 377074579 /nfs/dbraw/zinc/07/45/79/377074579.db2.gz UWXPCPDVSLDMFI-XHBSWPGZSA-N 2 1 280.387 2.495 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C12CCC2 ZINC000423173062 377082701 /nfs/dbraw/zinc/08/27/01/377082701.db2.gz WUAZWEMRSQAWQC-ZOBORPQBSA-N 2 1 252.402 2.064 20 0 CEADMP COc1cc(OC)c([C@@H](C)[NH2+]CCC[NH3+])cc1Cl ZINC000423186756 377099116 /nfs/dbraw/zinc/09/91/16/377099116.db2.gz XEETURJRBXDIRW-SECBINFHSA-N 2 1 272.776 2.357 20 0 CEADMP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)c1 ZINC000423190039 377102307 /nfs/dbraw/zinc/10/23/07/377102307.db2.gz NGMHYARZAVARAN-FVQBIDKESA-N 2 1 259.397 2.449 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000423193471 377107128 /nfs/dbraw/zinc/10/71/28/377107128.db2.gz QTFJJKOUGYZTKH-LBPRGKRZSA-N 3 1 258.369 2.180 20 0 CEADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423212865 377129571 /nfs/dbraw/zinc/12/95/71/377129571.db2.gz KKMCGSFMRVAZNX-KSZJFAHPSA-N 2 1 260.381 2.139 20 0 CEADMP COc1cc(F)c([C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1OC ZINC000423228495 377145170 /nfs/dbraw/zinc/14/51/70/377145170.db2.gz ZVYDELRZESVBKT-UWVGGRQHSA-N 2 1 270.348 2.231 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000423258289 377177132 /nfs/dbraw/zinc/17/71/32/377177132.db2.gz BFLNZMPBBADHAZ-RRFJBIMHSA-N 2 1 278.444 2.409 20 0 CEADMP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc2c(c1)OCCO2 ZINC000423266927 377184061 /nfs/dbraw/zinc/18/40/61/377184061.db2.gz DZFDDHPFBXFZLM-KBPBESRZSA-N 2 1 278.396 2.482 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000423265831 377185007 /nfs/dbraw/zinc/18/50/07/377185007.db2.gz CRADTQNOMIQMOH-FZMZJTMJSA-N 2 1 270.804 2.473 20 0 CEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(-n2cccn2)cc1 ZINC000423267636 377186472 /nfs/dbraw/zinc/18/64/72/377186472.db2.gz CZLAIWCKWPGVIV-WBMJQRKESA-N 2 1 270.380 2.260 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(C(=O)OC)cs1 ZINC000423267812 377186929 /nfs/dbraw/zinc/18/69/29/377186929.db2.gz FGUMMROCTAYBMT-VHSXEESVSA-N 2 1 270.398 2.041 20 0 CEADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]([NH3+])C(C)C ZINC000423268178 377187142 /nfs/dbraw/zinc/18/71/42/377187142.db2.gz GHUCFZVNYOGRRW-QWHCGFSZSA-N 2 1 266.360 2.395 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)C12CCCC2 ZINC000423269302 377189196 /nfs/dbraw/zinc/18/91/96/377189196.db2.gz FHOXKDRROMSYJQ-BFHYXJOUSA-N 2 1 252.402 2.051 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](COC)c1cccc(Cl)c1 ZINC000423269550 377189517 /nfs/dbraw/zinc/18/95/17/377189517.db2.gz HEGRUMLAAAGOLL-RISCZKNCSA-N 2 1 270.804 2.473 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000423280773 377208010 /nfs/dbraw/zinc/20/80/10/377208010.db2.gz ADBDGNDTDWSWML-NSHDSACASA-N 2 1 290.411 2.358 20 0 CEADMP N[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423284967 377212566 /nfs/dbraw/zinc/21/25/66/377212566.db2.gz ZBFJQXDKPKZKBR-WQVCFCJDSA-N 2 1 259.397 2.111 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cnc(OC)c(Cl)c1 ZINC000423283576 377213352 /nfs/dbraw/zinc/21/33/52/377213352.db2.gz XLSISSNJXYHJJK-NXEZZACHSA-N 2 1 271.792 2.250 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc2c(c1)OCCCO2 ZINC000423287193 377217319 /nfs/dbraw/zinc/21/73/19/377217319.db2.gz KTRLAXCGCHCXRL-NSHDSACASA-N 2 1 264.369 2.236 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000423290038 377220604 /nfs/dbraw/zinc/22/06/04/377220604.db2.gz CBKCVBOIULIXEG-CYBMUJFWSA-N 3 1 273.424 2.423 20 0 CEADMP C[C@@H]([NH3+])c1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000423290038 377220611 /nfs/dbraw/zinc/22/06/11/377220611.db2.gz CBKCVBOIULIXEG-CYBMUJFWSA-N 2 1 273.424 2.423 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000423298214 377227395 /nfs/dbraw/zinc/22/73/95/377227395.db2.gz NQMDBPARDVJTFU-ILXRZTDVSA-N 2 1 284.444 2.068 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000423303705 377232504 /nfs/dbraw/zinc/23/25/04/377232504.db2.gz JHAWWLOEUKNUDG-NXEZZACHSA-N 2 1 253.415 2.267 20 0 CEADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423310710 377239311 /nfs/dbraw/zinc/23/93/11/377239311.db2.gz AUXPZVHWUUMQOG-UONOGXRCSA-N 2 1 264.344 2.149 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000423316427 377244730 /nfs/dbraw/zinc/24/47/30/377244730.db2.gz ASUNXCRCGRXECY-ZIAGYGMSSA-N 2 1 289.423 2.168 20 0 CEADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423315449 377246423 /nfs/dbraw/zinc/24/64/23/377246423.db2.gz IRXPYMHZPAOWNR-JKSUJKDBSA-N 2 1 260.381 2.400 20 0 CEADMP C[C@H](NCC1([NH3+])CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423318241 377248387 /nfs/dbraw/zinc/24/83/87/377248387.db2.gz DGASVBLHAWHBGX-DOTOQJQBSA-N 2 1 287.451 2.368 20 0 CEADMP CCC[NH2+]CCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423318899 377250487 /nfs/dbraw/zinc/25/04/87/377250487.db2.gz ZOCAMHWDLFBKBT-NVXWUHKLSA-N 2 1 275.440 2.239 20 0 CEADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423323197 377255366 /nfs/dbraw/zinc/25/53/66/377255366.db2.gz ACQWROHBICTFAG-SMDDNHRTSA-N 2 1 251.349 2.261 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000423279727 377205029 /nfs/dbraw/zinc/20/50/29/377205029.db2.gz SXOVZMNCZBBGIB-RYUDHWBXSA-N 2 1 293.411 2.160 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1F ZINC000423278316 377206099 /nfs/dbraw/zinc/20/60/99/377206099.db2.gz QQCSIVQDJOVSLC-GXFFZTMASA-N 2 1 254.349 2.468 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000563718645 377284360 /nfs/dbraw/zinc/28/43/60/377284360.db2.gz VQXWRLNPBPTQKV-MRXNPFEDSA-N 2 1 289.423 2.019 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000564085313 377344880 /nfs/dbraw/zinc/34/48/80/377344880.db2.gz KWSQHHXCZHVFNK-ILXRZTDVSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000430767601 377549938 /nfs/dbraw/zinc/54/99/38/377549938.db2.gz XWVZSSZNVQQMLX-BZUAXINKSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000430951811 377569627 /nfs/dbraw/zinc/56/96/27/377569627.db2.gz WJIBOXCWNFEXIP-MNOVXSKESA-N 2 1 280.416 2.487 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430956053 377572570 /nfs/dbraw/zinc/57/25/70/377572570.db2.gz JRTOFUOMEGUOMT-KBUPBQIOSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000565158785 377576758 /nfs/dbraw/zinc/57/67/58/377576758.db2.gz ZDMIVTJCQIWWOF-BBRMVZONSA-N 2 1 282.391 2.455 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000565158785 377576763 /nfs/dbraw/zinc/57/67/63/377576763.db2.gz ZDMIVTJCQIWWOF-BBRMVZONSA-N 2 1 282.391 2.455 20 0 CEADMP CCS[C@@H]1CCCCN(Cc2nc(C(C)(C)N)no2)C1 ZINC000431074024 377593822 /nfs/dbraw/zinc/59/38/22/377593822.db2.gz OXPXWBFPTSWTFI-LLVKDONJSA-N 2 1 298.456 2.371 20 0 CEADMP CCS[C@@H]1CCCC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431074024 377593825 /nfs/dbraw/zinc/59/38/25/377593825.db2.gz OXPXWBFPTSWTFI-LLVKDONJSA-N 2 1 298.456 2.371 20 0 CEADMP CCS[C@@H]1CCCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431074024 377593827 /nfs/dbraw/zinc/59/38/27/377593827.db2.gz OXPXWBFPTSWTFI-LLVKDONJSA-N 2 1 298.456 2.371 20 0 CEADMP Cn1cncc1CCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000297928745 249369849 /nfs/dbraw/zinc/36/98/49/249369849.db2.gz UHXHVNMZSVVRJZ-UHFFFAOYSA-N 2 1 298.434 2.171 20 0 CEADMP Cn1cncc1CC[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000297928745 249369855 /nfs/dbraw/zinc/36/98/55/249369855.db2.gz UHXHVNMZSVVRJZ-UHFFFAOYSA-N 2 1 298.434 2.171 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C[C@@H]1C ZINC000565218447 377612373 /nfs/dbraw/zinc/61/23/73/377612373.db2.gz OCUIFGIBXVWGOC-QLFBSQMISA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)Oc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000313391733 249394908 /nfs/dbraw/zinc/39/49/08/249394908.db2.gz NDUDOXMYZUMYNV-INIZCTEOSA-N 2 1 278.396 2.023 20 0 CEADMP CC(C)Oc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000313391733 249394912 /nfs/dbraw/zinc/39/49/12/249394912.db2.gz NDUDOXMYZUMYNV-INIZCTEOSA-N 2 1 278.396 2.023 20 0 CEADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000565365711 377651188 /nfs/dbraw/zinc/65/11/88/377651188.db2.gz FSLOVYRNXJIKMW-INIZCTEOSA-N 2 1 298.377 2.115 20 0 CEADMP Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(C)[nH+]1 ZINC000286230020 542218836 /nfs/dbraw/zinc/21/88/36/542218836.db2.gz CPHKPAIHIQPLIQ-PBWFPOADSA-N 2 1 260.385 2.155 20 0 CEADMP Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(C)[nH+]1 ZINC000286230020 542218839 /nfs/dbraw/zinc/21/88/39/542218839.db2.gz CPHKPAIHIQPLIQ-PBWFPOADSA-N 2 1 260.385 2.155 20 0 CEADMP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(F)cc1F ZINC000566063420 377716612 /nfs/dbraw/zinc/71/66/12/377716612.db2.gz STCNPIUVGLSDQL-FZMZJTMJSA-N 2 1 298.377 2.113 20 0 CEADMP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(F)cc1F ZINC000566063420 377716618 /nfs/dbraw/zinc/71/66/18/377716618.db2.gz STCNPIUVGLSDQL-FZMZJTMJSA-N 2 1 298.377 2.113 20 0 CEADMP CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCO1 ZINC000566132065 377732263 /nfs/dbraw/zinc/73/22/63/377732263.db2.gz SLNHNDXVDDZIQD-OIISXLGYSA-N 2 1 298.471 2.015 20 0 CEADMP CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCO1 ZINC000566132065 377732272 /nfs/dbraw/zinc/73/22/72/377732272.db2.gz SLNHNDXVDDZIQD-OIISXLGYSA-N 2 1 298.471 2.015 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC000432352192 377751474 /nfs/dbraw/zinc/75/14/74/377751474.db2.gz WHEFFNHXOJSHFZ-ZACQAIPSSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC000432352192 377751484 /nfs/dbraw/zinc/75/14/84/377751484.db2.gz WHEFFNHXOJSHFZ-ZACQAIPSSA-N 2 1 298.471 2.281 20 0 CEADMP COC1(C[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CCC1 ZINC000432411627 377757631 /nfs/dbraw/zinc/75/76/31/377757631.db2.gz ZTICMBACKCHRQZ-HOTGVXAUSA-N 2 1 298.471 2.425 20 0 CEADMP COC1(C[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CCC1 ZINC000432411627 377757639 /nfs/dbraw/zinc/75/76/39/377757639.db2.gz ZTICMBACKCHRQZ-HOTGVXAUSA-N 2 1 298.471 2.425 20 0 CEADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CC1(C)C ZINC000441389543 377943040 /nfs/dbraw/zinc/94/30/40/377943040.db2.gz VUAAJRPRWLEZFY-UONOGXRCSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000442875161 378011252 /nfs/dbraw/zinc/01/12/52/378011252.db2.gz OFEVBOSDPULEHI-CYBMUJFWSA-N 2 1 255.450 2.037 20 0 CEADMP C[C@H]([NH3+])CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000442663317 377978400 /nfs/dbraw/zinc/97/84/00/377978400.db2.gz JNMOSEVDVVVPCZ-WMZOPIPTSA-N 2 1 287.451 2.322 20 0 CEADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442765287 377994847 /nfs/dbraw/zinc/99/48/47/377994847.db2.gz MABOVHIGLDCKRS-UPJWGTAASA-N 2 1 286.379 2.467 20 0 CEADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442765287 377994848 /nfs/dbraw/zinc/99/48/48/377994848.db2.gz MABOVHIGLDCKRS-UPJWGTAASA-N 2 1 286.379 2.467 20 0 CEADMP C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058115 378031148 /nfs/dbraw/zinc/03/11/48/378031148.db2.gz JIEBPDMGFGZDTK-LSDHHAIUSA-N 2 1 299.422 2.389 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057829 378031284 /nfs/dbraw/zinc/03/12/84/378031284.db2.gz IGKIFLVCSDKYPK-GFCCVEGCSA-N 2 1 251.374 2.106 20 0 CEADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443069363 378033461 /nfs/dbraw/zinc/03/34/61/378033461.db2.gz JROHZHHZIFWVKM-GJZGRUSLSA-N 2 1 289.423 2.383 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]C2CC3(CCC3)C2)CC1 ZINC000448068957 378168561 /nfs/dbraw/zinc/16/85/61/378168561.db2.gz YPHSZTKSXAAKMR-UHFFFAOYSA-N 2 1 279.472 2.326 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](O)c1ccccc1 ZINC000297363769 378683327 /nfs/dbraw/zinc/68/33/27/378683327.db2.gz GYMKTGOZMXMJHE-SUMWQHHRSA-N 2 1 274.408 2.325 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@@H](C)Cc1cnccn1)[NH+](C)C ZINC000453084223 378796143 /nfs/dbraw/zinc/79/61/43/378796143.db2.gz OATMVQYMANIONP-BBRMVZONSA-N 2 1 278.444 2.364 20 0 CEADMP CCn1ccnc1[C@H](C)NCC[N@@H+](C)C1CCCC1 ZINC000453090220 378798754 /nfs/dbraw/zinc/79/87/54/378798754.db2.gz BTSFBWKDNUYMBT-ZDUSSCGKSA-N 2 1 264.417 2.428 20 0 CEADMP COCC[N@H+](CCCc1ccccc1)CC(C)(C)[NH3+] ZINC000346840372 218033028 /nfs/dbraw/zinc/03/30/28/218033028.db2.gz UBNPFPWTXXELJQ-UHFFFAOYSA-N 2 1 264.413 2.305 20 0 CEADMP COCC[N@@H+](CCCc1ccccc1)CC(C)(C)[NH3+] ZINC000346840372 218033031 /nfs/dbraw/zinc/03/30/31/218033031.db2.gz UBNPFPWTXXELJQ-UHFFFAOYSA-N 2 1 264.413 2.305 20 0 CEADMP C[NH+](C)C1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000346843123 218033079 /nfs/dbraw/zinc/03/30/79/218033079.db2.gz WCRPILFCPIWXFR-INIZCTEOSA-N 2 1 296.842 2.269 20 0 CEADMP Cc1ncc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1-c1ccccc1 ZINC000346848746 218036200 /nfs/dbraw/zinc/03/62/00/218036200.db2.gz QRZLMZUQRUNHQU-QGTPRVQTSA-N 2 1 296.418 2.350 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CF)CCOCC2)[C@H]2CCC[C@@H]21 ZINC000453308969 378861415 /nfs/dbraw/zinc/86/14/15/378861415.db2.gz MUGHMEIYXYSANA-ILXRZTDVSA-N 2 1 284.419 2.215 20 0 CEADMP C1C[C@@H]2C[C@H]([NH+]3CCC[C@]4(CCOC4)C3)CC[N@H+]2C1 ZINC000453343354 378868461 /nfs/dbraw/zinc/86/84/61/378868461.db2.gz DMFMWGYNIHZFHR-OAGGEKHMSA-N 2 1 264.413 2.116 20 0 CEADMP C1C[C@@H]2C[C@H]([N@@H+]3CCC[C@]4(CCOC4)C3)CC[NH+]2C1 ZINC000453343354 378868469 /nfs/dbraw/zinc/86/84/69/378868469.db2.gz DMFMWGYNIHZFHR-OAGGEKHMSA-N 2 1 264.413 2.116 20 0 CEADMP C1C[C@@H]2C[C@H]([N@H+]3CCC[C@]4(CCOC4)C3)CC[NH+]2C1 ZINC000453343354 378868476 /nfs/dbraw/zinc/86/84/76/378868476.db2.gz DMFMWGYNIHZFHR-OAGGEKHMSA-N 2 1 264.413 2.116 20 0 CEADMP CCOC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000453418661 378897648 /nfs/dbraw/zinc/89/76/48/378897648.db2.gz ZPZLHPIVEVJCJC-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CCOC[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000453418661 378897651 /nfs/dbraw/zinc/89/76/51/378897651.db2.gz ZPZLHPIVEVJCJC-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CCOC[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000453418661 378897654 /nfs/dbraw/zinc/89/76/54/378897654.db2.gz ZPZLHPIVEVJCJC-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CCCOC1 ZINC000453420969 378898377 /nfs/dbraw/zinc/89/83/77/378898377.db2.gz ZZMVHDGFVBLITJ-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000453422610 378899954 /nfs/dbraw/zinc/89/99/54/378899954.db2.gz MVXGWMTUJJKXPT-MGPQQGTHSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)nc1 ZINC000453433616 378903852 /nfs/dbraw/zinc/90/38/52/378903852.db2.gz SRQSZGMPKHMSSR-ZACQAIPSSA-N 2 1 273.424 2.395 20 0 CEADMP COc1cccnc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000453382996 378880321 /nfs/dbraw/zinc/88/03/21/378880321.db2.gz ZTDLUWMHEFJMCO-NFAWXSAZSA-N 2 1 275.396 2.053 20 0 CEADMP COc1cccnc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000453382996 378880332 /nfs/dbraw/zinc/88/03/32/378880332.db2.gz ZTDLUWMHEFJMCO-NFAWXSAZSA-N 2 1 275.396 2.053 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000346992052 218082710 /nfs/dbraw/zinc/08/27/10/218082710.db2.gz AHABUGHFFIFYRD-JSGCOSHPSA-N 2 1 275.396 2.204 20 0 CEADMP C([C@H]1CCCO1)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000346992363 218082895 /nfs/dbraw/zinc/08/28/95/218082895.db2.gz AWBWSHHYCLICFL-GDBMZVCRSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cnn(CC(F)F)c1)C1CC1 ZINC000453593611 378916596 /nfs/dbraw/zinc/91/65/96/378916596.db2.gz GZVQENOONBACND-UHFFFAOYSA-N 2 1 286.370 2.112 20 0 CEADMP CC(C)([NH3+])CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000347003387 218087477 /nfs/dbraw/zinc/08/74/77/218087477.db2.gz LDURMTVEIXNDSR-UHFFFAOYSA-N 2 1 267.461 2.312 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000347032708 218098198 /nfs/dbraw/zinc/09/81/98/218098198.db2.gz BEQGGIQUNNXUJF-CQSZACIVSA-N 2 1 284.407 2.426 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000347032708 218098201 /nfs/dbraw/zinc/09/82/01/218098201.db2.gz BEQGGIQUNNXUJF-CQSZACIVSA-N 2 1 284.407 2.426 20 0 CEADMP C[C@@H](C[NH3+])N(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000347055777 218108773 /nfs/dbraw/zinc/10/87/73/218108773.db2.gz UFBCAPLUBQPVJG-HNNXBMFYSA-N 2 1 277.456 2.424 20 0 CEADMP CCC[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC[NH2+]CC1 ZINC000347015626 218092581 /nfs/dbraw/zinc/09/25/81/218092581.db2.gz YHKWDBIUHHLZEM-UHFFFAOYSA-N 2 1 299.422 2.231 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](C/C=C\c2ccccc2OC)C1 ZINC000347082559 218115913 /nfs/dbraw/zinc/11/59/13/218115913.db2.gz ZLWVFQUJVBLHLQ-VSKVDJIOSA-N 2 1 260.381 2.250 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2OC)C1 ZINC000347082559 218115916 /nfs/dbraw/zinc/11/59/16/218115916.db2.gz ZLWVFQUJVBLHLQ-VSKVDJIOSA-N 2 1 260.381 2.250 20 0 CEADMP CCC[N@H+](Cc1cnc(N(C)C)s1)C1CC[NH2+]CC1 ZINC000347214808 218158211 /nfs/dbraw/zinc/15/82/11/218158211.db2.gz QKVDIDOJFLPDEV-UHFFFAOYSA-N 2 1 282.457 2.173 20 0 CEADMP CCC[N@@H+](Cc1cnc(N(C)C)s1)C1CC[NH2+]CC1 ZINC000347214808 218158214 /nfs/dbraw/zinc/15/82/14/218158214.db2.gz QKVDIDOJFLPDEV-UHFFFAOYSA-N 2 1 282.457 2.173 20 0 CEADMP C=Cn1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cn1 ZINC000278637455 194079851 /nfs/dbraw/zinc/07/98/51/194079851.db2.gz HNIMAXPMXYSUGQ-UHFFFAOYSA-N 2 1 262.401 2.195 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000180063635 542260538 /nfs/dbraw/zinc/26/05/38/542260538.db2.gz COPOZLIFAHBBOZ-LBPRGKRZSA-N 2 1 264.417 2.489 20 0 CEADMP C[C@H](O)C[C@@H]1CCC[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000300408462 379167145 /nfs/dbraw/zinc/16/71/45/379167145.db2.gz MJQRFITYSYFZRW-ZNMIVQPWSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](O)C[C@@H]1CCC[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000300408462 379167155 /nfs/dbraw/zinc/16/71/55/379167155.db2.gz MJQRFITYSYFZRW-ZNMIVQPWSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](O)C[C@@H]1CCC[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000300408462 379167161 /nfs/dbraw/zinc/16/71/61/379167161.db2.gz MJQRFITYSYFZRW-ZNMIVQPWSA-N 2 1 254.418 2.096 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000180626995 542265330 /nfs/dbraw/zinc/26/53/30/542265330.db2.gz PLPYMHGGUASONJ-NSHDSACASA-N 2 1 261.373 2.354 20 0 CEADMP CC(C)(CCCO)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300414061 379168445 /nfs/dbraw/zinc/16/84/45/379168445.db2.gz IXBVQDAIUPIXRB-KBPBESRZSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000347533527 218265304 /nfs/dbraw/zinc/26/53/04/218265304.db2.gz XAEYDKNVXWPCFZ-DOMZBBRYSA-N 2 1 282.815 2.100 20 0 CEADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000347533527 218265305 /nfs/dbraw/zinc/26/53/05/218265305.db2.gz XAEYDKNVXWPCFZ-DOMZBBRYSA-N 2 1 282.815 2.100 20 0 CEADMP Cc1cccn2c(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)cnc12 ZINC000516215389 379265187 /nfs/dbraw/zinc/26/51/87/379265187.db2.gz SKLMNANKBJTUNF-OAHLLOKOSA-N 2 1 286.423 2.463 20 0 CEADMP Cc1cccn2c(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)cnc12 ZINC000516215389 379265192 /nfs/dbraw/zinc/26/51/92/379265192.db2.gz SKLMNANKBJTUNF-OAHLLOKOSA-N 2 1 286.423 2.463 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000517029927 379337381 /nfs/dbraw/zinc/33/73/81/379337381.db2.gz JVIDRXTVMXEHFY-SNVBAGLBSA-N 2 1 251.399 2.191 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000517029927 379337389 /nfs/dbraw/zinc/33/73/89/379337389.db2.gz JVIDRXTVMXEHFY-SNVBAGLBSA-N 2 1 251.399 2.191 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000302273161 379348961 /nfs/dbraw/zinc/34/89/61/379348961.db2.gz RTRDECFWTDDSIU-HIFRSBDPSA-N 2 1 254.418 2.252 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(C)[C@H](C)C1 ZINC001167837887 804432527 /nfs/dbraw/zinc/43/25/27/804432527.db2.gz NFWIPBGISPKGOP-HUUCEWRRSA-N 2 1 255.450 2.133 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(C)[C@H](C)C1 ZINC001167837891 804432799 /nfs/dbraw/zinc/43/27/99/804432799.db2.gz NFWIPBGISPKGOP-LSDHHAIUSA-N 2 1 255.450 2.133 20 0 CEADMP CC[NH+]1CCC(N(C)Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347643487 218304849 /nfs/dbraw/zinc/30/48/49/218304849.db2.gz AFCMCPHUQQKGHF-UHFFFAOYSA-N 2 1 296.484 2.121 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000523120721 379586197 /nfs/dbraw/zinc/58/61/97/379586197.db2.gz ADXAQTKROYEGFY-YHUYYLMFSA-N 2 1 295.471 2.094 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc2ccccc21 ZINC000304731510 379595249 /nfs/dbraw/zinc/59/52/49/379595249.db2.gz RCSJLHRSFCSDEQ-UKRRQHHQSA-N 2 1 272.392 2.413 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000523669885 379601378 /nfs/dbraw/zinc/60/13/78/379601378.db2.gz QFLVTFVPCMPDEO-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000523669885 379601383 /nfs/dbraw/zinc/60/13/83/379601383.db2.gz QFLVTFVPCMPDEO-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000523669885 379601387 /nfs/dbraw/zinc/60/13/87/379601387.db2.gz QFLVTFVPCMPDEO-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000522851289 379576992 /nfs/dbraw/zinc/57/69/92/379576992.db2.gz UVZVGIBJLGFESR-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)CO)[C@H](C)C1 ZINC000305174474 379670485 /nfs/dbraw/zinc/67/04/85/379670485.db2.gz UZYGORAKEHGAJQ-KGLIPLIRSA-N 2 1 256.434 2.105 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457176130 379700399 /nfs/dbraw/zinc/70/03/99/379700399.db2.gz ZCAMSXQXNODPFD-CYBMUJFWSA-N 2 1 283.460 2.144 20 0 CEADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1Cc2ccccc2[C@H]1O ZINC000305721650 379741581 /nfs/dbraw/zinc/74/15/81/379741581.db2.gz PORDAKVSCWYBDO-BPQIPLTHSA-N 2 1 288.435 2.451 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1Cc2ccccc2[C@H]1O ZINC000305721650 379741585 /nfs/dbraw/zinc/74/15/85/379741585.db2.gz PORDAKVSCWYBDO-BPQIPLTHSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1Cc2ccccc2[C@H]1O ZINC000305721650 379741592 /nfs/dbraw/zinc/74/15/92/379741592.db2.gz PORDAKVSCWYBDO-BPQIPLTHSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1Cc2ccccc2[C@H]1O ZINC000305721650 379741596 /nfs/dbraw/zinc/74/15/96/379741596.db2.gz PORDAKVSCWYBDO-BPQIPLTHSA-N 2 1 288.435 2.451 20 0 CEADMP COc1cccnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000527927939 379849590 /nfs/dbraw/zinc/84/95/90/379849590.db2.gz CIKARTJCZHFWMB-CHWSQXEVSA-N 2 1 261.369 2.011 20 0 CEADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000527983633 379865136 /nfs/dbraw/zinc/86/51/36/379865136.db2.gz BBGMQWUMMALUSP-OAGGEKHMSA-N 2 1 259.397 2.352 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@]2(C)OC(C)C)[C@@H](C)C1 ZINC000528002029 379873310 /nfs/dbraw/zinc/87/33/10/379873310.db2.gz WEMLMTLOMPQFBI-YJNKXOJESA-N 2 1 254.418 2.262 20 0 CEADMP COc1ncccc1CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000488472023 380100326 /nfs/dbraw/zinc/10/03/26/380100326.db2.gz WWJAOXIOHJEWRO-HNNXBMFYSA-N 2 1 289.423 2.254 20 0 CEADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000268209377 190386235 /nfs/dbraw/zinc/38/62/35/190386235.db2.gz ZXMCKRMVJAUQFE-CYBMUJFWSA-N 2 1 295.452 2.024 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000268209377 190386236 /nfs/dbraw/zinc/38/62/36/190386236.db2.gz ZXMCKRMVJAUQFE-CYBMUJFWSA-N 2 1 295.452 2.024 20 0 CEADMP Cc1nccn1CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000536574480 380227195 /nfs/dbraw/zinc/22/71/95/380227195.db2.gz UFVFZJDMGUWKBH-UHFFFAOYSA-N 2 1 278.444 2.244 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H](O)C(F)(F)F ZINC000537096626 380237521 /nfs/dbraw/zinc/23/75/21/380237521.db2.gz FICWIWGGDNYGJI-STQMWFEESA-N 2 1 294.361 2.152 20 0 CEADMP C[C@@H](O)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000542812030 380313707 /nfs/dbraw/zinc/31/37/07/380313707.db2.gz RTMKDOKDMLPUFN-VDHUWJSZSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccsc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000334481028 380472738 /nfs/dbraw/zinc/47/27/38/380472738.db2.gz UYNBPQCNCLOJRO-GOEBONIOSA-N 2 1 293.480 2.206 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccsc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000334481028 380472743 /nfs/dbraw/zinc/47/27/43/380472743.db2.gz UYNBPQCNCLOJRO-GOEBONIOSA-N 2 1 293.480 2.206 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000549131668 380591849 /nfs/dbraw/zinc/59/18/49/380591849.db2.gz TYGBXFCTJFTQLP-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP Cc1occc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334860233 207200916 /nfs/dbraw/zinc/20/09/16/207200916.db2.gz SSCNIDVYYOFCGY-RHSMWYFYSA-N 2 1 291.439 2.046 20 0 CEADMP Cc1occc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334860233 207200921 /nfs/dbraw/zinc/20/09/21/207200921.db2.gz SSCNIDVYYOFCGY-RHSMWYFYSA-N 2 1 291.439 2.046 20 0 CEADMP C[C@H]1COc2ccccc2C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000334967752 207383034 /nfs/dbraw/zinc/38/30/34/207383034.db2.gz JRXAPSJSDAWWEU-KBPBESRZSA-N 2 1 260.381 2.269 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)cc2)CC12CCOCC2 ZINC000335252640 208031693 /nfs/dbraw/zinc/03/16/93/208031693.db2.gz MBDYKWXEROTUDW-AWEZNQCLSA-N 2 1 278.371 2.013 20 0 CEADMP Cc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)nc1 ZINC000335277627 208086265 /nfs/dbraw/zinc/08/62/65/208086265.db2.gz KKNPMVNMTUXBMQ-AWEZNQCLSA-N 2 1 259.397 2.354 20 0 CEADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2[nH]ncc2C)c1 ZINC000289429274 197342358 /nfs/dbraw/zinc/34/23/58/197342358.db2.gz DLTXAABAHJKAFV-UHFFFAOYSA-N 2 1 272.396 2.460 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2[nH]ncc2C)c1 ZINC000289429274 197342360 /nfs/dbraw/zinc/34/23/60/197342360.db2.gz DLTXAABAHJKAFV-UHFFFAOYSA-N 2 1 272.396 2.460 20 0 CEADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2n[nH]cc2C)c1 ZINC000289429274 197342362 /nfs/dbraw/zinc/34/23/62/197342362.db2.gz DLTXAABAHJKAFV-UHFFFAOYSA-N 2 1 272.396 2.460 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2n[nH]cc2C)c1 ZINC000289429274 197342364 /nfs/dbraw/zinc/34/23/64/197342364.db2.gz DLTXAABAHJKAFV-UHFFFAOYSA-N 2 1 272.396 2.460 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289358548 197311503 /nfs/dbraw/zinc/31/15/03/197311503.db2.gz MMGQBWXRWAMWSF-HOTGVXAUSA-N 2 1 262.397 2.182 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289358548 197311504 /nfs/dbraw/zinc/31/15/04/197311504.db2.gz MMGQBWXRWAMWSF-HOTGVXAUSA-N 2 1 262.397 2.182 20 0 CEADMP OC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000364941196 285281256 /nfs/dbraw/zinc/28/12/56/285281256.db2.gz LIZBXFWHVCWXKT-BORJPKMPSA-N 2 1 286.419 2.424 20 0 CEADMP O[C@@H]1CCCC[C@H]1[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000305645576 285313555 /nfs/dbraw/zinc/31/35/55/285313555.db2.gz ANEHOPDDAIZIKO-BZUAXINKSA-N 2 1 266.429 2.240 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)OC)[C@H](C)C1 ZINC000336783892 285396263 /nfs/dbraw/zinc/39/62/63/285396263.db2.gz IAGRLJWQHNALEZ-KGLIPLIRSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(C)(C)OC)[C@H](C)C1 ZINC000336783892 285396265 /nfs/dbraw/zinc/39/62/65/285396265.db2.gz IAGRLJWQHNALEZ-KGLIPLIRSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(C)(C)OC)[C@H](C)C1 ZINC000336783892 285396266 /nfs/dbraw/zinc/39/62/66/285396266.db2.gz IAGRLJWQHNALEZ-KGLIPLIRSA-N 2 1 256.434 2.464 20 0 CEADMP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000246176443 131091345 /nfs/dbraw/zinc/09/13/45/131091345.db2.gz JTEZFXZKAMXBRM-YOEHRIQHSA-N 2 1 292.398 2.277 20 0 CEADMP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000246176443 131091346 /nfs/dbraw/zinc/09/13/46/131091346.db2.gz JTEZFXZKAMXBRM-YOEHRIQHSA-N 2 1 292.398 2.277 20 0 CEADMP c1[nH+]c(C2CC[NH+]([C@@H]3CCOC3)CC2)n2c1CCCC2 ZINC000334925200 285573793 /nfs/dbraw/zinc/57/37/93/285573793.db2.gz NQFKXBCEUJXFPJ-OAHLLOKOSA-N 2 1 275.396 2.188 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000246279861 394513500 /nfs/dbraw/zinc/51/35/00/394513500.db2.gz BKIDBJIAGUYXHZ-MWDXBVQZSA-N 3 1 281.488 2.425 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000246279861 394513505 /nfs/dbraw/zinc/51/35/05/394513505.db2.gz BKIDBJIAGUYXHZ-MWDXBVQZSA-N 3 1 281.488 2.425 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000246279861 394513507 /nfs/dbraw/zinc/51/35/07/394513507.db2.gz BKIDBJIAGUYXHZ-MWDXBVQZSA-N 3 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H](c2ccccc2)CO1 ZINC000246305222 394513558 /nfs/dbraw/zinc/51/35/58/394513558.db2.gz OHKLOKCPGLHUDA-RHSMWYFYSA-N 2 1 274.408 2.448 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](CCO)CC1 ZINC000421018032 394467213 /nfs/dbraw/zinc/46/72/13/394467213.db2.gz NSOYSFQGGACVDW-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421018032 394467215 /nfs/dbraw/zinc/46/72/15/394467215.db2.gz NSOYSFQGGACVDW-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](CCO)CC1 ZINC000421018032 394467217 /nfs/dbraw/zinc/46/72/17/394467217.db2.gz NSOYSFQGGACVDW-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCC2(O)CCC2)[C@H](C)C1 ZINC000421373297 394515684 /nfs/dbraw/zinc/51/56/84/394515684.db2.gz DWTZNTROTACRBB-KGLIPLIRSA-N 2 1 254.418 2.002 20 0 CEADMP CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCCCC1 ZINC000305169095 394496999 /nfs/dbraw/zinc/49/69/99/394496999.db2.gz ZHXBKEJGCHFGRE-CABCVRRESA-N 2 1 256.434 2.248 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421321605 394499825 /nfs/dbraw/zinc/49/98/25/394499825.db2.gz BZYMNMZZWXDZFE-SNVBAGLBSA-N 2 1 295.818 2.313 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCO2 ZINC000044534521 394506757 /nfs/dbraw/zinc/50/67/57/394506757.db2.gz CGOKNTHULIMJIV-CHWSQXEVSA-N 2 1 276.380 2.408 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000305612769 394507529 /nfs/dbraw/zinc/50/75/29/394507529.db2.gz AIGAELQRXLVYQI-ARFHVFGLSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000305612769 394507532 /nfs/dbraw/zinc/50/75/32/394507532.db2.gz AIGAELQRXLVYQI-ARFHVFGLSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000305612769 394507534 /nfs/dbraw/zinc/50/75/34/394507534.db2.gz AIGAELQRXLVYQI-ARFHVFGLSA-N 2 1 266.429 2.098 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(CO)c1 ZINC000305624804 394507782 /nfs/dbraw/zinc/50/77/82/394507782.db2.gz BHGCSUXDXXMBQA-UKRRQHHQSA-N 2 1 262.397 2.171 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC000251323848 394567224 /nfs/dbraw/zinc/56/72/24/394567224.db2.gz MVTSPZKWYQWRGR-HUUCEWRRSA-N 2 1 283.460 2.083 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC000251323848 394567225 /nfs/dbraw/zinc/56/72/25/394567225.db2.gz MVTSPZKWYQWRGR-HUUCEWRRSA-N 2 1 283.460 2.083 20 0 CEADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000247337510 394529421 /nfs/dbraw/zinc/52/94/21/394529421.db2.gz NIOYDKZMOLYKFX-BZUAXINKSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+]1CCCCC1 ZINC000422030499 394659760 /nfs/dbraw/zinc/65/97/60/394659760.db2.gz ZUDJLRMNDQAGDG-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000356746745 394600574 /nfs/dbraw/zinc/60/05/74/394600574.db2.gz RTGVFMADAAIDOF-CQSZACIVSA-N 2 1 291.439 2.207 20 0 CEADMP C[N@@H+](CCc1ccccn1)CC[C@@H]1CCCC[NH+]1C ZINC000072948404 394600863 /nfs/dbraw/zinc/60/08/63/394600863.db2.gz UEDCFKDIYXGYOT-INIZCTEOSA-N 2 1 261.413 2.430 20 0 CEADMP C[N@H+](CCc1ccccn1)CC[C@@H]1CCCC[NH+]1C ZINC000072948404 394600866 /nfs/dbraw/zinc/60/08/66/394600866.db2.gz UEDCFKDIYXGYOT-INIZCTEOSA-N 2 1 261.413 2.430 20 0 CEADMP C[NH+](CCc1ccccn1)CC[C@@H]1CCCC[N@@H+]1C ZINC000072948404 394600867 /nfs/dbraw/zinc/60/08/67/394600867.db2.gz UEDCFKDIYXGYOT-INIZCTEOSA-N 2 1 261.413 2.430 20 0 CEADMP C[NH+](CCc1ccccn1)CC[C@@H]1CCCC[N@H+]1C ZINC000072948404 394600872 /nfs/dbraw/zinc/60/08/72/394600872.db2.gz UEDCFKDIYXGYOT-INIZCTEOSA-N 2 1 261.413 2.430 20 0 CEADMP COC1([C@@H](C)[NH2+]C2CC[NH+](C)CC2)CCCCC1 ZINC000421819212 394604962 /nfs/dbraw/zinc/60/49/62/394604962.db2.gz FUGKQFWWVOJUST-CYBMUJFWSA-N 2 1 254.418 2.408 20 0 CEADMP COC1([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCCC1 ZINC000421819777 394605012 /nfs/dbraw/zinc/60/50/12/394605012.db2.gz IZMLHFOYIBFVRP-KGLIPLIRSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCO1 ZINC000421852795 394616284 /nfs/dbraw/zinc/61/62/84/394616284.db2.gz HWGAJKACFUMICF-KJWHEZOQSA-N 2 1 254.418 2.262 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356907439 394649767 /nfs/dbraw/zinc/64/97/67/394649767.db2.gz XAEBVEWEEJFSAZ-UKRRQHHQSA-N 2 1 265.401 2.376 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCN4CCC4)[C@@H]3C2)cc1 ZINC000356912121 394651558 /nfs/dbraw/zinc/65/15/58/394651558.db2.gz ZMVWNINEDOGRRN-OTWHNJEPSA-N 2 1 299.462 2.192 20 0 CEADMP CC(C)(CN[C@H]1CCC[C@@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422709086 394732270 /nfs/dbraw/zinc/73/22/70/394732270.db2.gz YQOVYSRCTMQMCK-IRXDYDNUSA-N 2 1 287.451 2.293 20 0 CEADMP CC(C)(CN[C@H]1CCC[C@@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422709086 394732273 /nfs/dbraw/zinc/73/22/73/394732273.db2.gz YQOVYSRCTMQMCK-IRXDYDNUSA-N 2 1 287.451 2.293 20 0 CEADMP CC[C@H]([NH2+]Cc1cccc(N(C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000422710837 394732833 /nfs/dbraw/zinc/73/28/33/394732833.db2.gz GEOBRTFCNOGHPE-HOTGVXAUSA-N 2 1 261.413 2.373 20 0 CEADMP COc1cccc(N2CC[C@@H]([NH2+][C@H](C)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422715100 394735940 /nfs/dbraw/zinc/73/59/40/394735940.db2.gz RPMOYROMQAWFRI-CPUCHLNUSA-N 2 1 289.423 2.004 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422715497 394736042 /nfs/dbraw/zinc/73/60/42/394736042.db2.gz MJMDQSNJGYKQSS-AEFFLSMTSA-N 3 1 289.467 2.268 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000422715497 394736046 /nfs/dbraw/zinc/73/60/46/394736046.db2.gz MJMDQSNJGYKQSS-AEFFLSMTSA-N 2 1 289.467 2.268 20 0 CEADMP COc1cc(C)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1 ZINC000359006472 394736251 /nfs/dbraw/zinc/73/62/51/394736251.db2.gz WEEDWGJZIFTLAG-GXTWGEPZSA-N 2 1 277.412 2.279 20 0 CEADMP COc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)n1 ZINC000359006472 394736253 /nfs/dbraw/zinc/73/62/53/394736253.db2.gz WEEDWGJZIFTLAG-GXTWGEPZSA-N 2 1 277.412 2.279 20 0 CEADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CCCC[NH3+] ZINC000422726389 394742537 /nfs/dbraw/zinc/74/25/37/394742537.db2.gz DVWPNVMVMBPZNV-CABCVRRESA-N 3 1 255.450 2.358 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CCCC[NH3+] ZINC000422726389 394742540 /nfs/dbraw/zinc/74/25/40/394742540.db2.gz DVWPNVMVMBPZNV-CABCVRRESA-N 3 1 255.450 2.358 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422738669 394749285 /nfs/dbraw/zinc/74/92/85/394749285.db2.gz KCMILRKGLBHBQD-ARFHVFGLSA-N 2 1 267.461 2.371 20 0 CEADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(F)(F)F)C2)C1 ZINC000334377853 394679169 /nfs/dbraw/zinc/67/91/69/394679169.db2.gz XACCPWWWIXHOIQ-LLVKDONJSA-N 2 1 250.308 2.357 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(F)(F)F)C2)C1 ZINC000334377853 394679177 /nfs/dbraw/zinc/67/91/77/394679177.db2.gz XACCPWWWIXHOIQ-LLVKDONJSA-N 2 1 250.308 2.357 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(F)(F)F)C2)C1 ZINC000334377853 394679180 /nfs/dbraw/zinc/67/91/80/394679180.db2.gz XACCPWWWIXHOIQ-LLVKDONJSA-N 2 1 250.308 2.357 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(F)(F)F)C2)C1 ZINC000334377853 394679183 /nfs/dbraw/zinc/67/91/83/394679183.db2.gz XACCPWWWIXHOIQ-LLVKDONJSA-N 2 1 250.308 2.357 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(OC)nc2)C1 ZINC000414079178 394697300 /nfs/dbraw/zinc/69/73/00/394697300.db2.gz SNKBNWWQJIQPNL-HOCLYGCPSA-N 2 1 291.439 2.343 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCn1cnc2ccccc21 ZINC000268796759 394699422 /nfs/dbraw/zinc/69/94/22/394699422.db2.gz DULXCVIHWFEPIA-IJEWVQPXSA-N 2 1 286.423 2.355 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000414087268 394699641 /nfs/dbraw/zinc/69/96/41/394699641.db2.gz BFGNWINAGCLGSK-CQSZACIVSA-N 2 1 279.428 2.343 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000414087268 394699645 /nfs/dbraw/zinc/69/96/45/394699645.db2.gz BFGNWINAGCLGSK-CQSZACIVSA-N 2 1 279.428 2.343 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000268825426 394700031 /nfs/dbraw/zinc/70/00/31/394700031.db2.gz ITWDYTMFMLRDRI-RHSMWYFYSA-N 2 1 288.435 2.455 20 0 CEADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H]1C[C@H]1C ZINC000414101471 394703247 /nfs/dbraw/zinc/70/32/47/394703247.db2.gz CAQCVPQAFLWHQT-DTDBQYNISA-N 2 1 288.435 2.387 20 0 CEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000268942208 394703287 /nfs/dbraw/zinc/70/32/87/394703287.db2.gz AMXAPVCDYGJSOK-USXIJHARSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000268942208 394703290 /nfs/dbraw/zinc/70/32/90/394703290.db2.gz AMXAPVCDYGJSOK-USXIJHARSA-N 2 1 276.424 2.258 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccsc2)[C@@H](C)C1 ZINC000269051299 394709764 /nfs/dbraw/zinc/70/97/64/394709764.db2.gz XUEWQZGHDSMIRC-FPMFFAJLSA-N 2 1 268.426 2.101 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422735190 394747460 /nfs/dbraw/zinc/74/74/60/394747460.db2.gz DMTDRXKZCBCAKF-XLNGHYISSA-N 2 1 273.424 2.291 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422735190 394747462 /nfs/dbraw/zinc/74/74/62/394747462.db2.gz DMTDRXKZCBCAKF-XLNGHYISSA-N 2 1 273.424 2.291 20 0 CEADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)C[NH3+])CC3 ZINC000334873925 394717021 /nfs/dbraw/zinc/71/70/21/394717021.db2.gz LATQYOIQOKFFBA-NEPJUHHUSA-N 2 1 257.381 2.270 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc2c[nH+]cn2c1 ZINC000414194919 394728029 /nfs/dbraw/zinc/72/80/29/394728029.db2.gz WEYJDHDGXPMTEJ-IOASZLSFSA-N 2 1 272.396 2.153 20 0 CEADMP CCC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1nnc2ccccn21 ZINC000422740525 394750662 /nfs/dbraw/zinc/75/06/62/394750662.db2.gz MWLFBZZYSLDJDU-XQQFMLRXSA-N 2 1 275.400 2.286 20 0 CEADMP O=C1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1c1ccccc1 ZINC000422740848 394752143 /nfs/dbraw/zinc/75/21/43/394752143.db2.gz NLAMEOMUDSITMS-MYSGWJLTSA-N 2 1 299.418 2.055 20 0 CEADMP C[C@H]1C[C@H](C[NH+]2CCN(C3CCCCC3)CC2)CC[NH2+]1 ZINC000335248627 394752837 /nfs/dbraw/zinc/75/28/37/394752837.db2.gz LNCUCHXZLXDYBF-JKSUJKDBSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H](NCC[N@@H+](C)C1CCCC1)c1c[nH+]ccc1N ZINC000422744440 394754624 /nfs/dbraw/zinc/75/46/24/394754624.db2.gz SWWPULAUSGBBCI-LBPRGKRZSA-N 2 1 262.401 2.019 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422745153 394755501 /nfs/dbraw/zinc/75/55/01/394755501.db2.gz UPWLZBLRQVPGNE-IRXDYDNUSA-N 3 1 275.440 2.355 20 0 CEADMP COc1ccccc1[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000422748158 394756535 /nfs/dbraw/zinc/75/65/35/394756535.db2.gz SGVGMJNYKVIFHT-KBMXLJTQSA-N 2 1 291.439 2.028 20 0 CEADMP Fc1ccc(-n2cc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cn2)cc1 ZINC000414831910 394760004 /nfs/dbraw/zinc/76/00/04/394760004.db2.gz QIWCCRPFZWMFKR-CYBMUJFWSA-N 2 1 288.370 2.101 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000414837693 394762590 /nfs/dbraw/zinc/76/25/90/394762590.db2.gz UXPOFDNFDUVPJY-IMJJTQAJSA-N 2 1 261.413 2.006 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000414844084 394766772 /nfs/dbraw/zinc/76/67/72/394766772.db2.gz QZAFJIOEAISCLQ-NSHDSACASA-N 2 1 262.353 2.387 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 ZINC000422764596 394767868 /nfs/dbraw/zinc/76/78/68/394767868.db2.gz PXGCWFROLPLVHR-KFWWJZLASA-N 2 1 269.477 2.460 20 0 CEADMP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CC2(CCC2)O1 ZINC000335464293 394768712 /nfs/dbraw/zinc/76/87/12/394768712.db2.gz OUPGDOBPEXOGQM-KGLIPLIRSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC2(CCC2)O1 ZINC000335464293 394768714 /nfs/dbraw/zinc/76/87/14/394768714.db2.gz OUPGDOBPEXOGQM-KGLIPLIRSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC2(CCC2)O1 ZINC000335464293 394768717 /nfs/dbraw/zinc/76/87/17/394768717.db2.gz OUPGDOBPEXOGQM-KGLIPLIRSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CC2(CCC2)O1 ZINC000335464293 394768722 /nfs/dbraw/zinc/76/87/22/394768722.db2.gz OUPGDOBPEXOGQM-KGLIPLIRSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422767421 394770110 /nfs/dbraw/zinc/77/01/10/394770110.db2.gz SBZBESUKKXMDHR-RBSFLKMASA-N 2 1 267.461 2.214 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000414866920 394778568 /nfs/dbraw/zinc/77/85/68/394778568.db2.gz NLADPKVWPRRMTO-HYVNUMGLSA-N 2 1 273.424 2.164 20 0 CEADMP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000359940267 394781406 /nfs/dbraw/zinc/78/14/06/394781406.db2.gz GNEMWVDAQPOSID-IAGOWNOFSA-N 3 1 281.488 2.428 20 0 CEADMP CC1CC[NH+](CCCC[NH2+][C@@H]2CCN(C)C[C@H]2C)CC1 ZINC000359940267 394781410 /nfs/dbraw/zinc/78/14/10/394781410.db2.gz GNEMWVDAQPOSID-IAGOWNOFSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000422782635 394781529 /nfs/dbraw/zinc/78/15/29/394781529.db2.gz GTSVPJSHMBJWFO-OBJOEFQTSA-N 2 1 266.360 2.323 20 0 CEADMP CC[C@H](C)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000120717165 394782612 /nfs/dbraw/zinc/78/26/12/394782612.db2.gz XSPMVVNKJOVJDS-JKSUJKDBSA-N 2 1 267.461 2.134 20 0 CEADMP CC[C@@H]([NH2+]CCOc1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422784203 394782908 /nfs/dbraw/zinc/78/29/08/394782908.db2.gz ILKYBHVZQNAJDG-CVEARBPZSA-N 2 1 278.396 2.194 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000422791210 394789622 /nfs/dbraw/zinc/78/96/22/394789622.db2.gz VSABAGIQXZFDMG-UKRRQHHQSA-N 2 1 272.396 2.014 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1OC(F)F ZINC000414889385 394790282 /nfs/dbraw/zinc/79/02/82/394790282.db2.gz GIQOATMVLQOPOL-LLVKDONJSA-N 2 1 286.322 2.124 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000422792279 394790364 /nfs/dbraw/zinc/79/03/64/394790364.db2.gz WBFPXOZMLOOXLB-RDJZCZTQSA-N 2 1 275.440 2.096 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1ccc(OCC(F)F)cc1)C1CC1 ZINC000414891476 394791706 /nfs/dbraw/zinc/79/17/06/394791706.db2.gz IJOIIOCKHCRYRT-CYBMUJFWSA-N 2 1 270.323 2.157 20 0 CEADMP CCOc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1F ZINC000414894875 394792482 /nfs/dbraw/zinc/79/24/82/394792482.db2.gz UVDKFOKOONYFTG-ZDUSSCGKSA-N 2 1 252.333 2.051 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1ccc(Br)cc1)C1CC1 ZINC000414892883 394792893 /nfs/dbraw/zinc/79/28/93/394792893.db2.gz JRQMTOSSUKFAPR-LBPRGKRZSA-N 2 1 269.186 2.276 20 0 CEADMP CCCOc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1OC ZINC000414896358 394793940 /nfs/dbraw/zinc/79/39/40/394793940.db2.gz OSTYRFJROBMWJH-CQSZACIVSA-N 2 1 278.396 2.311 20 0 CEADMP COc1cccc(O[C@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422796909 394793976 /nfs/dbraw/zinc/79/39/76/394793976.db2.gz ZJEJNURMDWEPQT-DVOMOZLQSA-N 2 1 278.396 2.193 20 0 CEADMP CC1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC000414903351 394796999 /nfs/dbraw/zinc/79/69/99/394796999.db2.gz LTNJNIGWKNJYOC-IAGOWNOFSA-N 3 1 287.451 2.459 20 0 CEADMP COc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(OC)c1 ZINC000414908403 394800194 /nfs/dbraw/zinc/80/01/94/394800194.db2.gz QWCAGXRKJYKCHZ-MRXNPFEDSA-N 2 1 278.396 2.183 20 0 CEADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000414923094 394804826 /nfs/dbraw/zinc/80/48/26/394804826.db2.gz DUZXLDKJZNFOKJ-NXEZZACHSA-N 2 1 299.802 2.003 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414931054 394808280 /nfs/dbraw/zinc/80/82/80/394808280.db2.gz PKYKZODYCZVTOB-ZOWXZIJZSA-N 2 1 250.361 2.344 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414931050 394808342 /nfs/dbraw/zinc/80/83/42/394808342.db2.gz PKYKZODYCZVTOB-YWPYICTPSA-N 2 1 250.361 2.344 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000414931745 394808635 /nfs/dbraw/zinc/80/86/35/394808635.db2.gz QHPBJZXMENYFBI-NXHRZFHOSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1C[C@H](NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000414930470 394808750 /nfs/dbraw/zinc/80/87/50/394808750.db2.gz PBIZIIWXECYKBC-UKRRQHHQSA-N 2 1 297.393 2.223 20 0 CEADMP C[C@@H]1C[C@H](NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000414930470 394808753 /nfs/dbraw/zinc/80/87/53/394808753.db2.gz PBIZIIWXECYKBC-UKRRQHHQSA-N 2 1 297.393 2.223 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000422820887 394811654 /nfs/dbraw/zinc/81/16/54/394811654.db2.gz SUJSPGGXIFALSO-ZJUUUORDSA-N 2 1 266.776 2.203 20 0 CEADMP CCc1cccc(F)c1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414940303 394812958 /nfs/dbraw/zinc/81/29/58/394812958.db2.gz KELYBJFRIWUOJR-ABAIWWIYSA-N 2 1 250.361 2.476 20 0 CEADMP C[C@H](CCN[C@@H]1CCC[C@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422832501 394818317 /nfs/dbraw/zinc/81/83/17/394818317.db2.gz XTZLJUPQLWBMMH-DJIMGWMZSA-N 2 1 275.440 2.366 20 0 CEADMP CC(C)c1ncc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414960260 394826132 /nfs/dbraw/zinc/82/61/32/394826132.db2.gz YBEVJEQHBUWPFV-WDEREUQCSA-N 2 1 253.415 2.497 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422838014 394821078 /nfs/dbraw/zinc/82/10/78/394821078.db2.gz NNHNVKSYDOUPNA-YCPHGPKFSA-N 3 1 267.461 2.085 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C(=O)N1c1ccccc1 ZINC000422924259 394863263 /nfs/dbraw/zinc/86/32/63/394863263.db2.gz UAUATCNPDOICFL-OXHHNNNVSA-N 2 1 299.418 2.053 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)C[C@@]1(C)C[NH3+] ZINC000415051564 394865124 /nfs/dbraw/zinc/86/51/24/394865124.db2.gz GGQSZIQAYUJJCV-IUODEOHRSA-N 2 1 290.436 2.351 20 0 CEADMP C[N@@H+](Cc1cc(-c2ccccc2)cs1)C[C@@H](O)C[NH3+] ZINC000415054269 394865794 /nfs/dbraw/zinc/86/57/94/394865794.db2.gz LKAAVIBUJQSEAK-AWEZNQCLSA-N 2 1 276.405 2.167 20 0 CEADMP C[N@H+](Cc1cc(-c2ccccc2)cs1)C[C@@H](O)C[NH3+] ZINC000415054269 394865797 /nfs/dbraw/zinc/86/57/97/394865797.db2.gz LKAAVIBUJQSEAK-AWEZNQCLSA-N 2 1 276.405 2.167 20 0 CEADMP COc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1OC ZINC000415054838 394867741 /nfs/dbraw/zinc/86/77/41/394867741.db2.gz NUDGHWTUMNOGNZ-CQSZACIVSA-N 2 1 266.385 2.167 20 0 CEADMP C[C@@H]([NH2+]CCOc1cccc(F)c1)c1c[nH+]ccc1N ZINC000422946031 394869010 /nfs/dbraw/zinc/86/90/10/394869010.db2.gz ODDWDRVXDQPEDC-LLVKDONJSA-N 2 1 275.327 2.363 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422971559 394871701 /nfs/dbraw/zinc/87/17/01/394871701.db2.gz JDVKAEDFQDOJGJ-UKRRQHHQSA-N 2 1 290.455 2.231 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422971559 394871703 /nfs/dbraw/zinc/87/17/03/394871703.db2.gz JDVKAEDFQDOJGJ-UKRRQHHQSA-N 3 1 290.455 2.231 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422971559 394871705 /nfs/dbraw/zinc/87/17/05/394871705.db2.gz JDVKAEDFQDOJGJ-UKRRQHHQSA-N 3 1 290.455 2.231 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC1CCOCC1 ZINC000336790003 394872123 /nfs/dbraw/zinc/87/21/23/394872123.db2.gz VLPIXKSJWJDVCK-IPYPFGDCSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH2+][C@H](CCO)c1ccccc1 ZINC000415066301 394872359 /nfs/dbraw/zinc/87/23/59/394872359.db2.gz AITHGOHLIXDMJK-LSDHHAIUSA-N 2 1 250.386 2.073 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000415068617 394872964 /nfs/dbraw/zinc/87/29/64/394872964.db2.gz NGIPGSYZHDGFFS-UHFFFAOYSA-N 2 1 299.422 2.116 20 0 CEADMP COc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000129851997 394875882 /nfs/dbraw/zinc/87/58/82/394875882.db2.gz VHTTZLKCPKDYDP-ZIAGYGMSSA-N 2 1 278.396 2.146 20 0 CEADMP CSCC[C@H](CO)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422992570 394876228 /nfs/dbraw/zinc/87/62/28/394876228.db2.gz RKNCQNSEPUJNFT-BZUAXINKSA-N 2 1 294.464 2.183 20 0 CEADMP Cc1cncc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423008584 394878808 /nfs/dbraw/zinc/87/88/08/394878808.db2.gz ALIQUMBFYJTHNA-RHSMWYFYSA-N 2 1 269.392 2.438 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000415079982 394878965 /nfs/dbraw/zinc/87/89/65/394878965.db2.gz IYVXSXDKBPTFDA-INIZCTEOSA-N 3 1 267.461 2.086 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH2+]CCOc1ccc(F)cc1F ZINC000415083247 394881892 /nfs/dbraw/zinc/88/18/92/394881892.db2.gz MSPAVHAUCMJKBY-GFCCVEGCSA-N 2 1 272.339 2.307 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000414975094 394833290 /nfs/dbraw/zinc/83/32/90/394833290.db2.gz FVVZRNYUBDYQMC-CYBMUJFWSA-N 2 1 262.332 2.043 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000422859075 394833653 /nfs/dbraw/zinc/83/36/53/394833653.db2.gz JPMLOIGAZIDEKY-ILXRZTDVSA-N 3 1 255.450 2.356 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000422859075 394833658 /nfs/dbraw/zinc/83/36/58/394833658.db2.gz JPMLOIGAZIDEKY-ILXRZTDVSA-N 3 1 255.450 2.356 20 0 CEADMP CCOCCOCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422859463 394833675 /nfs/dbraw/zinc/83/36/75/394833675.db2.gz KCEAGRZLUJTVQE-DLBZAZTESA-N 2 1 292.423 2.209 20 0 CEADMP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415085393 394882911 /nfs/dbraw/zinc/88/29/11/394882911.db2.gz QCSRQYJKAAYJOW-MRXNPFEDSA-N 2 1 292.423 2.252 20 0 CEADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000336219590 394835295 /nfs/dbraw/zinc/83/52/95/394835295.db2.gz QHLWAOGADBBBOT-ZIAGYGMSSA-N 2 1 290.411 2.023 20 0 CEADMP C[C@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422864372 394837223 /nfs/dbraw/zinc/83/72/23/394837223.db2.gz UVJMVWWIYUBBGT-SQWLQELKSA-N 2 1 265.445 2.124 20 0 CEADMP C[C@@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422864368 394837346 /nfs/dbraw/zinc/83/73/46/394837346.db2.gz UVJMVWWIYUBBGT-IIAWOOMASA-N 2 1 265.445 2.124 20 0 CEADMP CC[C@H]([NH3+])CNCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414986080 394837842 /nfs/dbraw/zinc/83/78/42/394837842.db2.gz WZEKDROVYWOLIY-INIZCTEOSA-N 2 1 277.456 2.472 20 0 CEADMP COc1cc(C[NH2+]CCn2cc[nH+]c2C)ccc1C ZINC000278928046 394838048 /nfs/dbraw/zinc/83/80/48/394838048.db2.gz VRGIXKZUWDNTKU-UHFFFAOYSA-N 2 1 259.353 2.298 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422866013 394838123 /nfs/dbraw/zinc/83/81/23/394838123.db2.gz ZVYTYXXWTIBOOH-KGLIPLIRSA-N 3 1 253.434 2.110 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000422866013 394838125 /nfs/dbraw/zinc/83/81/25/394838125.db2.gz ZVYTYXXWTIBOOH-KGLIPLIRSA-N 3 1 253.434 2.110 20 0 CEADMP C[C@@H](C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F)CC1CCOCC1 ZINC000414992366 394840638 /nfs/dbraw/zinc/84/06/38/394840638.db2.gz BHBKZMRVTYHIKC-OCCSQVGLSA-N 2 1 290.398 2.274 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000422875218 394843547 /nfs/dbraw/zinc/84/35/47/394843547.db2.gz OOCUXAKIASVBOW-USJZOSNVSA-N 2 1 287.451 2.017 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000423025940 394883586 /nfs/dbraw/zinc/88/35/86/394883586.db2.gz AHCVUSAEGXOLKI-FXUDXRNXSA-N 2 1 267.461 2.370 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000423025940 394883590 /nfs/dbraw/zinc/88/35/90/394883590.db2.gz AHCVUSAEGXOLKI-FXUDXRNXSA-N 2 1 267.461 2.370 20 0 CEADMP CC[N@@H+](CCN[C@@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000422882292 394848123 /nfs/dbraw/zinc/84/81/23/394848123.db2.gz RWGFEIYRVANTPC-ZDUSSCGKSA-N 2 1 278.444 2.230 20 0 CEADMP CCN(CC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000422882292 394848124 /nfs/dbraw/zinc/84/81/24/394848124.db2.gz RWGFEIYRVANTPC-ZDUSSCGKSA-N 2 1 278.444 2.230 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422883809 394848154 /nfs/dbraw/zinc/84/81/54/394848154.db2.gz CXRQJLJRYIZFCV-LVQVYYBASA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422883809 394848156 /nfs/dbraw/zinc/84/81/56/394848156.db2.gz CXRQJLJRYIZFCV-LVQVYYBASA-N 2 1 267.461 2.227 20 0 CEADMP CC[N@@H+]1CCCC[C@H]1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422903142 394855957 /nfs/dbraw/zinc/85/59/57/394855957.db2.gz FCIOCFGQRLWPDG-CJNGLKHVSA-N 2 1 290.455 2.374 20 0 CEADMP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1Cl ZINC000415035919 394857829 /nfs/dbraw/zinc/85/78/29/394857829.db2.gz JHZUEVIDAAKMAF-CYBMUJFWSA-N 2 1 268.788 2.117 20 0 CEADMP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1nnc2n1CCCCC2 ZINC000422907470 394858181 /nfs/dbraw/zinc/85/81/81/394858181.db2.gz LHOGOIIIEWGVSS-UPJWGTAASA-N 2 1 279.432 2.171 20 0 CEADMP [NH3+]C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415040231 394859365 /nfs/dbraw/zinc/85/93/65/394859365.db2.gz OSCKYCFYHNNPLB-FUHWJXTLSA-N 3 1 287.451 2.368 20 0 CEADMP c1ccc(-c2cccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)c2)nc1 ZINC000415045167 394861913 /nfs/dbraw/zinc/86/19/13/394861913.db2.gz SSMCJXIPOXTUNL-KRWDZBQOSA-N 2 1 297.402 2.217 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423268598 394888753 /nfs/dbraw/zinc/88/87/53/394888753.db2.gz GQFQLBYIGXDACY-BBWFWOEESA-N 2 1 275.440 2.395 20 0 CEADMP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(C(=O)OC)cc1 ZINC000423338979 394890987 /nfs/dbraw/zinc/89/09/87/394890987.db2.gz WDGJMPMZTKTSIT-CQSZACIVSA-N 2 1 276.380 2.395 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423340932 394892310 /nfs/dbraw/zinc/89/23/10/394892310.db2.gz WAUYKLPGPMYWOJ-ZBFHGGJFSA-N 2 1 295.471 2.275 20 0 CEADMP CCCc1cccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000415106118 394892368 /nfs/dbraw/zinc/89/23/68/394892368.db2.gz JGBPTSQMMHHJSX-INIZCTEOSA-N 2 1 262.397 2.189 20 0 CEADMP CCCc1cccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000415106118 394892371 /nfs/dbraw/zinc/89/23/71/394892371.db2.gz JGBPTSQMMHHJSX-INIZCTEOSA-N 2 1 262.397 2.189 20 0 CEADMP C[C@H]1C[C@@H](C[NH2+]Cc2ccc(F)c(CN(C)C)c2)CC[NH2+]1 ZINC000415111570 394893183 /nfs/dbraw/zinc/89/31/83/394893183.db2.gz RENWQSKJAPHJNR-ZFWWWQNUSA-N 2 1 293.430 2.365 20 0 CEADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000364343556 394893667 /nfs/dbraw/zinc/89/36/67/394893667.db2.gz OSUMFZSWCNHOOT-ARFHVFGLSA-N 2 1 266.429 2.432 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCCCCOc2ccccc2)CCCO1 ZINC000415115171 394894805 /nfs/dbraw/zinc/89/48/05/394894805.db2.gz WOOKOETVEDIRDQ-QGZVFWFLSA-N 2 1 292.423 2.285 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000423345754 394894936 /nfs/dbraw/zinc/89/49/36/394894936.db2.gz YZLLMVUMGBZDFH-ZIAGYGMSSA-N 2 1 289.423 2.311 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1C ZINC000415124308 394897701 /nfs/dbraw/zinc/89/77/01/394897701.db2.gz KCAACEGUKJVENU-DOMZBBRYSA-N 2 1 262.397 2.420 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415125872 394898879 /nfs/dbraw/zinc/89/88/79/394898879.db2.gz LMAWKMHNWZXMLE-WMLDXEAASA-N 2 1 299.422 2.177 20 0 CEADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423373601 394905667 /nfs/dbraw/zinc/90/56/67/394905667.db2.gz HKUJQGXCRKUHEB-LZLYRXPVSA-N 2 1 289.467 2.485 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000423373052 394905834 /nfs/dbraw/zinc/90/58/34/394905834.db2.gz GZSVVSUXDDQZED-OXGONZEZSA-N 3 1 265.445 2.027 20 0 CEADMP CC[NH2+][C@H](C)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423373599 394906159 /nfs/dbraw/zinc/90/61/59/394906159.db2.gz HKUJQGXCRKUHEB-JZXOWHBKSA-N 2 1 289.467 2.485 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000364484893 394909097 /nfs/dbraw/zinc/90/90/97/394909097.db2.gz LNFXGALIVBJYHC-HOTGVXAUSA-N 2 1 295.471 2.147 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c(F)c1 ZINC000423408148 394915549 /nfs/dbraw/zinc/91/55/49/394915549.db2.gz XDCKEEFSRBEPPD-JRPNMDOOSA-N 2 1 266.360 2.483 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000423409952 394916519 /nfs/dbraw/zinc/91/65/19/394916519.db2.gz RDNSXNPIQBMPJH-CQSZACIVSA-N 2 1 295.471 2.132 20 0 CEADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423423264 394918795 /nfs/dbraw/zinc/91/87/95/394918795.db2.gz DTHYVIBKGZDWOH-JKEMJCCQSA-N 2 1 282.391 2.049 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1(C)C ZINC000423567080 394952570 /nfs/dbraw/zinc/95/25/70/394952570.db2.gz UPJWPZRGIKDXEW-MGPQQGTHSA-N 2 1 254.418 2.310 20 0 CEADMP CCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285916273 394984604 /nfs/dbraw/zinc/98/46/04/394984604.db2.gz LAMITIHJGXAXIT-SFHVURJKSA-N 2 1 287.451 2.289 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415996134 394995058 /nfs/dbraw/zinc/99/50/58/394995058.db2.gz MIWNTBQXAXLQDU-GFCCVEGCSA-N 2 1 290.411 2.142 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367617237 394967213 /nfs/dbraw/zinc/96/72/13/394967213.db2.gz QCUHQHZQDXQWBZ-YRGRVCCFSA-N 2 1 262.401 2.250 20 0 CEADMP CC[N@@H+](CCNC(=O)Nc1cccc(C[NH2+]C)c1)C(C)C ZINC000415917109 394976829 /nfs/dbraw/zinc/97/68/29/394976829.db2.gz IKLDDVMPYDYVEG-UHFFFAOYSA-N 2 1 292.427 2.258 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000423765701 394979996 /nfs/dbraw/zinc/97/99/96/394979996.db2.gz ANRNOPAUJZXVRQ-HNNXBMFYSA-N 2 1 295.471 2.084 20 0 CEADMP c1cncc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000344263009 395052495 /nfs/dbraw/zinc/05/24/95/395052495.db2.gz QIILCKHCFFWLPU-YVSFHVDLSA-N 2 1 287.407 2.128 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2nccn21 ZINC000345359535 395065878 /nfs/dbraw/zinc/06/58/78/395065878.db2.gz RRRZSJHRPDJVMO-MQYQWHSLSA-N 2 1 260.385 2.105 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCn2ccnc2C)C1 ZINC000162081135 395070060 /nfs/dbraw/zinc/07/00/60/395070060.db2.gz OGVMUWYDPOYKBU-MRXNPFEDSA-N 3 1 278.444 2.245 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCn2ccnc2C)C1 ZINC000162081135 395070063 /nfs/dbraw/zinc/07/00/63/395070063.db2.gz OGVMUWYDPOYKBU-MRXNPFEDSA-N 3 1 278.444 2.245 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCn2ccnc2C)C1 ZINC000162081135 395070066 /nfs/dbraw/zinc/07/00/66/395070066.db2.gz OGVMUWYDPOYKBU-MRXNPFEDSA-N 3 1 278.444 2.245 20 0 CEADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)s1 ZINC000425932571 395070400 /nfs/dbraw/zinc/07/04/00/395070400.db2.gz QQMKKUHYXPOYCA-NEPJUHHUSA-N 2 1 299.484 2.489 20 0 CEADMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C1CC1)C(C)C ZINC000426705334 395078521 /nfs/dbraw/zinc/07/85/21/395078521.db2.gz VZRDCAYKQVHPID-MRXNPFEDSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426914327 395085525 /nfs/dbraw/zinc/08/55/25/395085525.db2.gz PDOKLBNHDIQHAG-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@H]1CSC1(C)C ZINC000374790951 395086831 /nfs/dbraw/zinc/08/68/31/395086831.db2.gz BPHFQJDVFBPIQA-BARDWOONSA-N 2 1 298.496 2.359 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@H]1CSC1(C)C ZINC000374790951 395086833 /nfs/dbraw/zinc/08/68/33/395086833.db2.gz BPHFQJDVFBPIQA-BARDWOONSA-N 2 1 298.496 2.359 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@@H]1CSC1(C)C ZINC000374790955 395086909 /nfs/dbraw/zinc/08/69/09/395086909.db2.gz BPHFQJDVFBPIQA-LXTVHRRPSA-N 2 1 298.496 2.359 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@@H]1CSC1(C)C ZINC000374790955 395086911 /nfs/dbraw/zinc/08/69/11/395086911.db2.gz BPHFQJDVFBPIQA-LXTVHRRPSA-N 2 1 298.496 2.359 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000372059754 395033962 /nfs/dbraw/zinc/03/39/62/395033962.db2.gz LMABNPKFGYZUTR-TWMKSMIVSA-N 2 1 296.455 2.035 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000376995952 395132127 /nfs/dbraw/zinc/13/21/27/395132127.db2.gz DQMBTDNUHVVOJG-GVDBMIGSSA-N 2 1 298.471 2.140 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC000173814244 395116643 /nfs/dbraw/zinc/11/66/43/395116643.db2.gz IJUSFBQWKJJMCD-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000173814244 395116647 /nfs/dbraw/zinc/11/66/47/395116647.db2.gz IJUSFBQWKJJMCD-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000173814244 395116650 /nfs/dbraw/zinc/11/66/50/395116650.db2.gz IJUSFBQWKJJMCD-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291781525 395158071 /nfs/dbraw/zinc/15/80/71/395158071.db2.gz MGNVDIMOBWNVJO-GOSISDBHSA-N 2 1 299.418 2.218 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291781525 395158073 /nfs/dbraw/zinc/15/80/73/395158073.db2.gz MGNVDIMOBWNVJO-GOSISDBHSA-N 2 1 299.418 2.218 20 0 CEADMP COCc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000382553019 395182349 /nfs/dbraw/zinc/18/23/49/395182349.db2.gz WGGMQWGLISKIMI-XJKSGUPXSA-N 2 1 278.396 2.390 20 0 CEADMP COCc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000382553019 395182354 /nfs/dbraw/zinc/18/23/54/395182354.db2.gz WGGMQWGLISKIMI-XJKSGUPXSA-N 2 1 278.396 2.390 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000380934932 395169263 /nfs/dbraw/zinc/16/92/63/395169263.db2.gz WJPNJWYQWSKPIS-GOEBONIOSA-N 2 1 262.397 2.435 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000178975587 395176440 /nfs/dbraw/zinc/17/64/40/395176440.db2.gz VHUYHYFCHYTWBS-ZIAGYGMSSA-N 2 1 254.443 2.346 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000352177443 395246610 /nfs/dbraw/zinc/24/66/10/395246610.db2.gz BRIBVYWNRNMUMS-XHSDSOJGSA-N 2 1 297.487 2.390 20 0 CEADMP COCc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])o1 ZINC000382719397 395183475 /nfs/dbraw/zinc/18/34/75/395183475.db2.gz HINNSKYEWCOEPY-LBPRGKRZSA-N 2 1 252.358 2.129 20 0 CEADMP COCc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])o1 ZINC000382719397 395183478 /nfs/dbraw/zinc/18/34/78/395183478.db2.gz HINNSKYEWCOEPY-LBPRGKRZSA-N 2 1 252.358 2.129 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000519703385 395211132 /nfs/dbraw/zinc/21/11/32/395211132.db2.gz DHMDTNNUDLFZQL-ONGXEEELSA-N 2 1 251.399 2.190 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000519703385 395211134 /nfs/dbraw/zinc/21/11/34/395211134.db2.gz DHMDTNNUDLFZQL-ONGXEEELSA-N 2 1 251.399 2.190 20 0 CEADMP CC1CCC(C[N@@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000181368440 395214818 /nfs/dbraw/zinc/21/48/18/395214818.db2.gz HIIIHFFKGNCXPS-UHFFFAOYSA-N 2 1 281.488 2.382 20 0 CEADMP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000181607071 395221194 /nfs/dbraw/zinc/22/11/94/395221194.db2.gz XTEBYWGLJLKSPE-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000181692999 395223151 /nfs/dbraw/zinc/22/31/51/395223151.db2.gz KFUBVWQCGHWZGM-OEAJRASXSA-N 2 1 289.423 2.375 20 0 CEADMP CC(C)[C@@H]1CC[N@H+]1C[C@H](O)CN1CCc2ccccc2C1 ZINC000353030007 395285397 /nfs/dbraw/zinc/28/53/97/395285397.db2.gz SFAQMPNJRURIRO-MSOLQXFVSA-N 2 1 288.435 2.136 20 0 CEADMP C[C@H]1CC[N@H+](CCC(=O)NCC2CCCCC2)[C@H](C[NH3+])C1 ZINC000420323811 395325421 /nfs/dbraw/zinc/32/54/21/395325421.db2.gz ABEYELBMZRTCIU-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]1CC[N@@H+](CCC(=O)NCC2CCCCC2)[C@H](C[NH3+])C1 ZINC000420323811 395325429 /nfs/dbraw/zinc/32/54/29/395325429.db2.gz ABEYELBMZRTCIU-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000439958093 395295915 /nfs/dbraw/zinc/29/59/15/395295915.db2.gz LZKLPCCMZCOUCY-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439958093 395295919 /nfs/dbraw/zinc/29/59/19/395295919.db2.gz LZKLPCCMZCOUCY-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439958093 395295923 /nfs/dbraw/zinc/29/59/23/395295923.db2.gz LZKLPCCMZCOUCY-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP Cn1c(NCCC[C@H]2CCC[NH2+]2)[nH+]c2cccc(F)c21 ZINC000420288274 395297257 /nfs/dbraw/zinc/29/72/57/395297257.db2.gz RXPLYWWOJIWBAC-LLVKDONJSA-N 2 1 276.359 2.078 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353520433 395299982 /nfs/dbraw/zinc/29/99/82/395299982.db2.gz OSPMTOICCURIKS-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353520433 395299985 /nfs/dbraw/zinc/29/99/85/395299985.db2.gz OSPMTOICCURIKS-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353520433 395299986 /nfs/dbraw/zinc/29/99/86/395299986.db2.gz OSPMTOICCURIKS-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1ccc([C@@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)s1 ZINC000420294147 395300727 /nfs/dbraw/zinc/30/07/27/395300727.db2.gz AROXEJCDDHIRCS-AWEZNQCLSA-N 2 1 279.453 2.099 20 0 CEADMP COc1ccc([C@@H](CO)[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420296062 395302771 /nfs/dbraw/zinc/30/27/71/395302771.db2.gz CYNVRXAVYQRBQE-RHSMWYFYSA-N 2 1 292.423 2.050 20 0 CEADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353628835 395303319 /nfs/dbraw/zinc/30/33/19/395303319.db2.gz CCYWUSBMFDXFQL-BYNSBNAKSA-N 2 1 268.445 2.246 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000353596348 395303479 /nfs/dbraw/zinc/30/34/79/395303479.db2.gz IRBRLUQQGIRLGL-RDJZCZTQSA-N 2 1 295.471 2.147 20 0 CEADMP COc1ccccc1CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420300614 395305910 /nfs/dbraw/zinc/30/59/10/395305910.db2.gz CTKMRUOHCRSKMO-JYJNAYRXSA-N 2 1 274.408 2.297 20 0 CEADMP CC[C@H](C)[N@@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420299443 395306253 /nfs/dbraw/zinc/30/62/53/395306253.db2.gz GNXVLCIMTSBZOW-GXTWGEPZSA-N 2 1 250.386 2.468 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CC2CCC2)cc1 ZINC000420302098 395307279 /nfs/dbraw/zinc/30/72/79/395307279.db2.gz MCQJRDXQUDRTLJ-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C(C)(C)C1 ZINC000420309358 395312554 /nfs/dbraw/zinc/31/25/54/395312554.db2.gz SYJOGIJIFRLQLR-KBMXLJTQSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353986757 395313221 /nfs/dbraw/zinc/31/32/21/395313221.db2.gz LAFKOEUIDPEDRG-QCODTGAPSA-N 2 1 266.429 2.121 20 0 CEADMP c1n[nH]cc1[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420314279 395317760 /nfs/dbraw/zinc/31/77/60/395317760.db2.gz JVJRVSZKPNTRIS-UKRRQHHQSA-N 2 1 262.401 2.326 20 0 CEADMP C[C@H]([NH3+])CN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000420317364 395319391 /nfs/dbraw/zinc/31/93/91/395319391.db2.gz MWSQFOUYOVLZQI-STQMWFEESA-N 2 1 281.831 2.366 20 0 CEADMP Fc1ccc([C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420318769 395321372 /nfs/dbraw/zinc/32/13/72/395321372.db2.gz OVVMUXTWVFWRQM-CZUORRHYSA-N 2 1 278.371 2.199 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000420319158 395321434 /nfs/dbraw/zinc/32/14/34/395321434.db2.gz RGDZBFIJZYKGRK-LLVKDONJSA-N 2 1 282.409 2.238 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000420319158 395321440 /nfs/dbraw/zinc/32/14/40/395321440.db2.gz RGDZBFIJZYKGRK-LLVKDONJSA-N 2 1 282.409 2.238 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000420326443 395327810 /nfs/dbraw/zinc/32/78/10/395327810.db2.gz JYBXJRXXFAEBLL-UHFFFAOYSA-N 2 1 293.386 2.276 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)C1(C[NH3+])CCC1 ZINC000420326443 395327813 /nfs/dbraw/zinc/32/78/13/395327813.db2.gz JYBXJRXXFAEBLL-UHFFFAOYSA-N 2 1 293.386 2.276 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000526057278 395275954 /nfs/dbraw/zinc/27/59/54/395275954.db2.gz GGDOVNKUZOJMRQ-CYBMUJFWSA-N 2 1 296.377 2.352 20 0 CEADMP CCN(C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)C1CCCCC1 ZINC000420367624 395353879 /nfs/dbraw/zinc/35/38/79/395353879.db2.gz MXGVDUVJWWBESG-HNNXBMFYSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[C@H](CC)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442868455 395397609 /nfs/dbraw/zinc/39/76/09/395397609.db2.gz CGJUMSPHHJXAIE-AWEZNQCLSA-N 2 1 255.450 2.181 20 0 CEADMP c1ccc(C[C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420370137 395357135 /nfs/dbraw/zinc/35/71/35/395357135.db2.gz YNSDTUJINHDQPF-MSOLQXFVSA-N 2 1 288.435 2.320 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000420373892 395360715 /nfs/dbraw/zinc/36/07/15/395360715.db2.gz ZMZYPRJHRQHIID-CYBMUJFWSA-N 2 1 281.375 2.117 20 0 CEADMP [NH3+]C[C@H]([NH2+]CCCOCC(F)(F)F)C1CCCCC1 ZINC000420376997 395362845 /nfs/dbraw/zinc/36/28/45/395362845.db2.gz VVZNDUVOLPTGGO-LBPRGKRZSA-N 2 1 282.350 2.453 20 0 CEADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000420381977 395366407 /nfs/dbraw/zinc/36/64/07/395366407.db2.gz DAPJYEIRJIHZEB-ILXRZTDVSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420395475 395369452 /nfs/dbraw/zinc/36/94/52/395369452.db2.gz DKSSUAXYVBZZJD-ILXRZTDVSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420395475 395369455 /nfs/dbraw/zinc/36/94/55/395369455.db2.gz DKSSUAXYVBZZJD-ILXRZTDVSA-N 2 1 295.471 2.083 20 0 CEADMP c1cncc(CC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420402468 395370500 /nfs/dbraw/zinc/37/05/00/395370500.db2.gz QKXHJEMDIRUNRE-JKSUJKDBSA-N 2 1 259.397 2.088 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000334388937 289066278 /nfs/dbraw/zinc/06/62/78/289066278.db2.gz REIFWVNAVCFDGT-GYTBAZASSA-N 3 1 265.445 2.076 20 0 CEADMP CC[N@H+](CC(=O)NCC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435616973 395378492 /nfs/dbraw/zinc/37/84/92/395378492.db2.gz VEWBXNKTIIMLLA-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP CC[N@@H+](CC(=O)NCC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435616973 395378496 /nfs/dbraw/zinc/37/84/96/395378496.db2.gz VEWBXNKTIIMLLA-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP CC[N@H+](CC(=O)NCC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435616974 395378600 /nfs/dbraw/zinc/37/86/00/395378600.db2.gz VEWBXNKTIIMLLA-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CC[N@@H+](CC(=O)NCC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435616974 395378603 /nfs/dbraw/zinc/37/86/03/395378603.db2.gz VEWBXNKTIIMLLA-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435622998 395378861 /nfs/dbraw/zinc/37/88/61/395378861.db2.gz AYODARHCIZZONF-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCN(CCC)C(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435622998 395378862 /nfs/dbraw/zinc/37/88/62/395378862.db2.gz AYODARHCIZZONF-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CN(CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435623955 395379018 /nfs/dbraw/zinc/37/90/18/395379018.db2.gz IIVLLTNSFDTEBO-MRXNPFEDSA-N 2 1 261.413 2.197 20 0 CEADMP CC[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000435627545 395379868 /nfs/dbraw/zinc/37/98/68/395379868.db2.gz NZLXCGAVKPOVER-HRCADAONSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000435627545 395379872 /nfs/dbraw/zinc/37/98/72/395379872.db2.gz NZLXCGAVKPOVER-HRCADAONSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1ccc(CC[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420325527 395327827 /nfs/dbraw/zinc/32/78/27/395327827.db2.gz IRORXFRHQYTPOV-KRWDZBQOSA-N 2 1 288.435 2.225 20 0 CEADMP CC(C)c1noc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420326034 395327946 /nfs/dbraw/zinc/32/79/46/395327946.db2.gz JAODBMWBLOVOCY-STQMWFEESA-N 2 1 278.400 2.015 20 0 CEADMP C[C@H](O)CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000354697692 395338678 /nfs/dbraw/zinc/33/86/78/395338678.db2.gz BEWYNUCIUJWGTL-OFQRWUPVSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@H](O)CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000354697692 395338680 /nfs/dbraw/zinc/33/86/80/395338680.db2.gz BEWYNUCIUJWGTL-OFQRWUPVSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@H](O)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000354697692 395338682 /nfs/dbraw/zinc/33/86/82/395338682.db2.gz BEWYNUCIUJWGTL-OFQRWUPVSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@H](O)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000354697692 395338684 /nfs/dbraw/zinc/33/86/84/395338684.db2.gz BEWYNUCIUJWGTL-OFQRWUPVSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+](CCCOc1ccc(C(C)(C)C)cc1)C[C@@H](O)C[NH3+] ZINC000420349054 395339947 /nfs/dbraw/zinc/33/99/47/395339947.db2.gz BPBNIVVOQAADDA-HNNXBMFYSA-N 2 1 294.439 2.004 20 0 CEADMP COc1ccccc1OCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420353776 395341210 /nfs/dbraw/zinc/34/12/10/395341210.db2.gz CBBVSZGSWBWSDC-AWEZNQCLSA-N 2 1 266.385 2.037 20 0 CEADMP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CCOCC[NH3+] ZINC000420366470 395352906 /nfs/dbraw/zinc/35/29/06/395352906.db2.gz FWLPQWAHTFWTFU-ZBFHGGJFSA-N 2 1 292.423 2.444 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444716043 395448532 /nfs/dbraw/zinc/44/85/32/395448532.db2.gz IRVBUFKKRSTBIF-YNEHKIRRSA-N 2 1 294.361 2.106 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444716043 395448536 /nfs/dbraw/zinc/44/85/36/395448536.db2.gz IRVBUFKKRSTBIF-YNEHKIRRSA-N 2 1 294.361 2.106 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444716043 395448541 /nfs/dbraw/zinc/44/85/41/395448541.db2.gz IRVBUFKKRSTBIF-YNEHKIRRSA-N 2 1 294.361 2.106 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444716043 395448544 /nfs/dbraw/zinc/44/85/44/395448544.db2.gz IRVBUFKKRSTBIF-YNEHKIRRSA-N 2 1 294.361 2.106 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000445805914 395469795 /nfs/dbraw/zinc/46/97/95/395469795.db2.gz PVGZVMJGVDJGCO-HNNXBMFYSA-N 2 1 256.353 2.327 20 0 CEADMP Cc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccn1 ZINC000529569676 395408830 /nfs/dbraw/zinc/40/88/30/395408830.db2.gz QANLJJHKMPOMIQ-HZPDHXFCSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000355319315 395409267 /nfs/dbraw/zinc/40/92/67/395409267.db2.gz GAGWOEBTEZNCSV-RRFJBIMHSA-N 2 1 277.412 2.375 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000355319314 395409681 /nfs/dbraw/zinc/40/96/81/395409681.db2.gz GAGWOEBTEZNCSV-RBSFLKMASA-N 2 1 277.412 2.375 20 0 CEADMP C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420904675 395433767 /nfs/dbraw/zinc/43/37/67/395433767.db2.gz QAIQYIMXWFRLOZ-HNNXBMFYSA-N 2 1 274.408 2.361 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420904675 395433774 /nfs/dbraw/zinc/43/37/74/395433774.db2.gz QAIQYIMXWFRLOZ-HNNXBMFYSA-N 2 1 274.408 2.361 20 0 CEADMP COCC[NH2+]C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000566351353 395514695 /nfs/dbraw/zinc/51/46/95/395514695.db2.gz VLMFFVUZTLRMBC-UHFFFAOYSA-N 2 1 294.414 2.459 20 0 CEADMP C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000566482677 395529872 /nfs/dbraw/zinc/52/98/72/395529872.db2.gz WBDMKAKHHBTSMC-ZTFGCOKTSA-N 2 1 287.451 2.293 20 0 CEADMP C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000566482677 395529875 /nfs/dbraw/zinc/52/98/75/395529875.db2.gz WBDMKAKHHBTSMC-ZTFGCOKTSA-N 2 1 287.451 2.293 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446080471 395484541 /nfs/dbraw/zinc/48/45/41/395484541.db2.gz MEMJZHZJMRVPQO-IHRRRGAJSA-N 2 1 265.401 2.469 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446080471 395484542 /nfs/dbraw/zinc/48/45/42/395484542.db2.gz MEMJZHZJMRVPQO-IHRRRGAJSA-N 2 1 265.401 2.469 20 0 CEADMP C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)[N@H+]1CCCC[C@H]1C ZINC000566020222 395496590 /nfs/dbraw/zinc/49/65/90/395496590.db2.gz IVZUFJHQGDDWEI-KBXIAJHMSA-N 3 1 253.434 2.109 20 0 CEADMP C[C@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)c1ccccc1 ZINC000446755184 395498530 /nfs/dbraw/zinc/49/85/30/395498530.db2.gz ZXWNDTXGTCWTNN-OAHLLOKOSA-N 2 1 276.424 2.227 20 0 CEADMP C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000573068003 395599338 /nfs/dbraw/zinc/59/93/38/395599338.db2.gz MISLXZHRXYIMCK-SFHVURJKSA-N 2 1 291.483 2.467 20 0 CEADMP COC(=O)CC1(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000573189860 395602090 /nfs/dbraw/zinc/60/20/90/395602090.db2.gz XJPRVHPCWOEIPV-UHFFFAOYSA-N 2 1 296.455 2.382 20 0 CEADMP CCCC[C@@H](C[NH3+])NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000568233905 395551983 /nfs/dbraw/zinc/55/19/83/395551983.db2.gz QUFURJSONKYHHL-AWEZNQCLSA-N 2 1 298.475 2.020 20 0 CEADMP CC[C@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000568396750 395557854 /nfs/dbraw/zinc/55/78/54/395557854.db2.gz VDINCFCDHUMPSM-HOCLYGCPSA-N 2 1 295.471 2.227 20 0 CEADMP CN(C)Cc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000574339671 395628447 /nfs/dbraw/zinc/62/84/47/395628447.db2.gz UYVACWZWZWLOQY-HUUCEWRRSA-N 2 1 279.403 2.247 20 0 CEADMP C[N@@H+](C[C@@H](O)CN[C@H]1CCCc2ccc(F)cc21)C1CC1 ZINC000574445004 395630041 /nfs/dbraw/zinc/63/00/41/395630041.db2.gz LUIPLXZDEDZMAF-RDJZCZTQSA-N 2 1 292.398 2.248 20 0 CEADMP C[N@@H+](C[C@H](O)CN[C@H]1CCCc2ccc(F)cc21)C1CC1 ZINC000574445005 395630053 /nfs/dbraw/zinc/63/00/53/395630053.db2.gz LUIPLXZDEDZMAF-WBVHZDCISA-N 2 1 292.398 2.248 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000574887211 395639812 /nfs/dbraw/zinc/63/98/12/395639812.db2.gz VZVZDKFIKRNKRS-BXUZGUMPSA-N 2 1 250.390 2.084 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000574887211 395639813 /nfs/dbraw/zinc/63/98/13/395639813.db2.gz VZVZDKFIKRNKRS-BXUZGUMPSA-N 2 1 250.390 2.084 20 0 CEADMP Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C)ccc1C[NH+](C)C ZINC000458284651 395641411 /nfs/dbraw/zinc/64/14/11/395641411.db2.gz MVZXHBBAOBJBMI-OAHLLOKOSA-N 2 1 275.396 2.089 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC[N@@H+]1C ZINC000493917183 395677866 /nfs/dbraw/zinc/67/78/66/395677866.db2.gz PNGSZUSZRGFESI-DGADGQDISA-N 2 1 278.440 2.406 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC[N@H+]1C ZINC000493917183 395677867 /nfs/dbraw/zinc/67/78/67/395677867.db2.gz PNGSZUSZRGFESI-DGADGQDISA-N 2 1 278.440 2.406 20 0 CEADMP CC[N@H+](CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C(C)C ZINC000493937534 395678078 /nfs/dbraw/zinc/67/80/78/395678078.db2.gz QZSOZLFINWXXNK-QLFBSQMISA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@@H+](CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C(C)C ZINC000493937534 395678079 /nfs/dbraw/zinc/67/80/79/395678079.db2.gz QZSOZLFINWXXNK-QLFBSQMISA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)[C@H](C[N@@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647492627 395721193 /nfs/dbraw/zinc/72/11/93/395721193.db2.gz OKBXDOSRPATJNE-SFHVURJKSA-N 2 1 289.467 2.263 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccc(N(C)C(C)C)nc2)CC[C@@H]1[NH3+] ZINC000647497639 395721565 /nfs/dbraw/zinc/72/15/65/395721565.db2.gz OGWNBUNGLJFSFD-HOTGVXAUSA-N 2 1 290.455 2.485 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(N(C)C(C)C)nc2)CC[C@@H]1[NH3+] ZINC000647497639 395721566 /nfs/dbraw/zinc/72/15/66/395721566.db2.gz OGWNBUNGLJFSFD-HOTGVXAUSA-N 2 1 290.455 2.485 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccncc2)CC[C@@H]1[NH3+] ZINC000647498632 395722089 /nfs/dbraw/zinc/72/20/89/395722089.db2.gz LLWURYRTRFMRBQ-BBRMVZONSA-N 2 1 299.422 2.041 20 0 CEADMP CC[C@H]1C[N@H+](Cc2c(C)nc3ccccn32)CC[C@H]1[NH3+] ZINC000647498834 395722203 /nfs/dbraw/zinc/72/22/03/395722203.db2.gz RUHSTPQEIJKRGK-UONOGXRCSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2c(C)nc3ccccn32)CC[C@H]1[NH3+] ZINC000647498834 395722204 /nfs/dbraw/zinc/72/22/04/395722204.db2.gz RUHSTPQEIJKRGK-UONOGXRCSA-N 2 1 272.396 2.202 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647498824 395722288 /nfs/dbraw/zinc/72/22/88/395722288.db2.gz RONLTMCZBJMJSK-GXTWGEPZSA-N 2 1 278.444 2.104 20 0 CEADMP CCc1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)s1 ZINC000647498765 395722430 /nfs/dbraw/zinc/72/24/30/395722430.db2.gz QDIOLKQOANOQEY-JQWIXIFHSA-N 2 1 253.415 2.265 20 0 CEADMP CCc1ncc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)s1 ZINC000647498765 395722432 /nfs/dbraw/zinc/72/24/32/395722432.db2.gz QDIOLKQOANOQEY-JQWIXIFHSA-N 2 1 253.415 2.265 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccccc2OCCOC)CC[C@@H]1[NH3+] ZINC000647498963 395722481 /nfs/dbraw/zinc/72/24/81/395722481.db2.gz UYPMLFGDIRZCRA-ZBFHGGJFSA-N 2 1 292.423 2.271 20 0 CEADMP CC(C)[C@H](C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000647506763 395723073 /nfs/dbraw/zinc/72/30/73/395723073.db2.gz BVQFMCLJKVIYCY-HYVNUMGLSA-N 2 1 276.424 2.474 20 0 CEADMP CC(C)[C@H](C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000647506763 395723075 /nfs/dbraw/zinc/72/30/75/395723075.db2.gz BVQFMCLJKVIYCY-HYVNUMGLSA-N 2 1 276.424 2.474 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2CCCC(C)(C)C2)CCO1 ZINC000647506678 395723295 /nfs/dbraw/zinc/72/32/95/395723295.db2.gz AEOBPIUUPKZOGM-IHRRRGAJSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)C2)CCO1 ZINC000647506678 395723297 /nfs/dbraw/zinc/72/32/97/395723297.db2.gz AEOBPIUUPKZOGM-IHRRRGAJSA-N 2 1 254.418 2.251 20 0 CEADMP CC(C)C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccncc1 ZINC000647284673 395697224 /nfs/dbraw/zinc/69/72/24/395697224.db2.gz ZFOLWYAZQCFYDU-IRXDYDNUSA-N 2 1 291.439 2.215 20 0 CEADMP Cc1ccccc1OCCC[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549147 395732881 /nfs/dbraw/zinc/73/28/81/395732881.db2.gz KDPXIQANSLIUHT-DZGCQCFKSA-N 2 1 262.397 2.352 20 0 CEADMP COC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000336783918 292055578 /nfs/dbraw/zinc/05/55/78/292055578.db2.gz JGEJKTKMQHIIRK-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP COC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000336783918 292055579 /nfs/dbraw/zinc/05/55/79/292055579.db2.gz JGEJKTKMQHIIRK-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP COC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000336783918 292055580 /nfs/dbraw/zinc/05/55/80/292055580.db2.gz JGEJKTKMQHIIRK-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647530737 395727231 /nfs/dbraw/zinc/72/72/31/395727231.db2.gz CJUXYBRSXPOYAO-UHFFFAOYSA-N 2 1 299.422 2.197 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@@](C)(C[NH3+])C2)o1 ZINC000647536675 395728676 /nfs/dbraw/zinc/72/86/76/395728676.db2.gz TWSQUXSZMGXEBP-INIZCTEOSA-N 2 1 288.395 2.159 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@@](C)(C[NH3+])C2)o1 ZINC000647536675 395728679 /nfs/dbraw/zinc/72/86/79/395728679.db2.gz TWSQUXSZMGXEBP-INIZCTEOSA-N 2 1 288.395 2.159 20 0 CEADMP COCC(C)(C)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543035 395731082 /nfs/dbraw/zinc/73/10/82/395731082.db2.gz GWLAIJSJNAMHSM-HUUCEWRRSA-N 2 1 268.445 2.371 20 0 CEADMP CC(C)C[C@H](N)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544539 395731638 /nfs/dbraw/zinc/73/16/38/395731638.db2.gz PTZLYLGGBSLGTG-PMPSAXMXSA-N 2 1 267.461 2.071 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544539 395731639 /nfs/dbraw/zinc/73/16/39/395731639.db2.gz PTZLYLGGBSLGTG-PMPSAXMXSA-N 2 1 267.461 2.071 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)c1cccnc1 ZINC000647549689 395733288 /nfs/dbraw/zinc/73/32/88/395733288.db2.gz NGOYBMJGDVRTNW-CWRNSKLLSA-N 2 1 261.413 2.409 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000647553261 395734477 /nfs/dbraw/zinc/73/44/77/395734477.db2.gz NNSMYVZYSKLZGD-KBPBESRZSA-N 2 1 254.418 2.251 20 0 CEADMP CC[C@@H]1CN(c2[nH+]cnc3[nH]c(C)c(C)c32)CC[C@@H]1[NH3+] ZINC000647707297 395746750 /nfs/dbraw/zinc/74/67/50/395746750.db2.gz AQMJHAZNYXYDOD-NEPJUHHUSA-N 2 1 273.384 2.138 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N(C)CC[C@@H]([NH3+])C(C)C)c2c1C ZINC000647705816 395746915 /nfs/dbraw/zinc/74/69/15/395746915.db2.gz PKNXZIRHBXTUMC-GFCCVEGCSA-N 2 1 275.400 2.384 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@H]3CCC[C@H]3C[NH3+])c2c1C ZINC000647704917 395747075 /nfs/dbraw/zinc/74/70/75/395747075.db2.gz PNAWDLJNJCJKTM-QWRGUYRKSA-N 2 1 259.357 2.114 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H](c1cccnc1)C(C)(C)CO ZINC000647952853 395782913 /nfs/dbraw/zinc/78/29/13/395782913.db2.gz OJEIAPZPHVLWGY-MRXNPFEDSA-N 2 1 293.455 2.463 20 0 CEADMP C[N@@H+](CCC[NH3+])CCOc1ccccc1Br ZINC000647847121 395762800 /nfs/dbraw/zinc/76/28/00/395762800.db2.gz AAVOIJHPRBANOZ-UHFFFAOYSA-N 2 1 287.201 2.109 20 0 CEADMP Cc1cc(CO)cc(NC2CC[NH+](CC(C)C)CC2)[nH+]1 ZINC000647853102 395763736 /nfs/dbraw/zinc/76/37/36/395763736.db2.gz FFRGKRVALZADQO-UHFFFAOYSA-N 2 1 277.412 2.415 20 0 CEADMP COc1ccc(CCC[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647881242 395767990 /nfs/dbraw/zinc/76/79/90/395767990.db2.gz ZSZQSJLXSHWEEM-OAHLLOKOSA-N 2 1 262.397 2.169 20 0 CEADMP COc1ccc2c(c1)CCC[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000647884492 395769302 /nfs/dbraw/zinc/76/93/02/395769302.db2.gz VZGNLOLBOZMMPI-ZDUSSCGKSA-N 2 1 260.381 2.053 20 0 CEADMP CC(C)OCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903283 395770776 /nfs/dbraw/zinc/77/07/76/395770776.db2.gz IPNLAGLGDZQIHN-HUUCEWRRSA-N 2 1 254.418 2.266 20 0 CEADMP c1cc(CCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccn1 ZINC000647903458 395770869 /nfs/dbraw/zinc/77/08/69/395770869.db2.gz JMXMAXBSQUKCIL-IAGOWNOFSA-N 2 1 273.424 2.478 20 0 CEADMP CC1([NH3+])CC[NH+](CCOc2ccccc2F)CC1 ZINC000647926644 395776719 /nfs/dbraw/zinc/77/67/19/395776719.db2.gz HVQGHOBXBKMBDG-UHFFFAOYSA-N 2 1 252.333 2.018 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978020 395794124 /nfs/dbraw/zinc/79/41/24/395794124.db2.gz LATRUEMNOCGVTO-ROUUACIJSA-N 3 1 293.499 2.478 20 0 CEADMP FC(F)(F)COCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978356 395794397 /nfs/dbraw/zinc/79/43/97/395794397.db2.gz QHJFHKMAJFCPNP-QWHCGFSZSA-N 2 1 294.361 2.277 20 0 CEADMP Cc1ccc(C[N@@H+](CC2CC2)C[C@@H]2CC[NH2+]C2)cn1 ZINC000647995193 395798264 /nfs/dbraw/zinc/79/82/64/395798264.db2.gz DGRLNIJXKCWGBF-MRXNPFEDSA-N 2 1 259.397 2.212 20 0 CEADMP CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000648999922 396038760 /nfs/dbraw/zinc/03/87/60/396038760.db2.gz KHSWDNRCALFVDY-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@H+]1CCN(C[C@@H]2CCCC[NH+]2C(C)C)C[C@@H]1C ZINC000649396038 396140718 /nfs/dbraw/zinc/14/07/18/396140718.db2.gz WRJNQKRDMKQVMG-HOTGVXAUSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1C ZINC000649396038 396140721 /nfs/dbraw/zinc/14/07/21/396140721.db2.gz WRJNQKRDMKQVMG-HOTGVXAUSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)C[C@@H]1C ZINC000649396038 396140722 /nfs/dbraw/zinc/14/07/22/396140722.db2.gz WRJNQKRDMKQVMG-HOTGVXAUSA-N 2 1 267.461 2.275 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](C)CO)C2)s1 ZINC000649603543 396207536 /nfs/dbraw/zinc/20/75/36/396207536.db2.gz SGKJAVLIDGHZCL-HIFRSBDPSA-N 2 1 296.480 2.439 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](C)CO)C2)s1 ZINC000649603543 396207537 /nfs/dbraw/zinc/20/75/37/396207537.db2.gz SGKJAVLIDGHZCL-HIFRSBDPSA-N 2 1 296.480 2.439 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](C)CO)C2)s1 ZINC000649603543 396207539 /nfs/dbraw/zinc/20/75/39/396207539.db2.gz SGKJAVLIDGHZCL-HIFRSBDPSA-N 2 1 296.480 2.439 20 0 CEADMP c1cncc(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000649417724 396149327 /nfs/dbraw/zinc/14/93/27/396149327.db2.gz CHKYXNFZCJUZRE-DLBZAZTESA-N 2 1 273.424 2.336 20 0 CEADMP CC[NH+](CC)CC1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649488083 396167441 /nfs/dbraw/zinc/16/74/41/396167441.db2.gz BEJLRWVCGQQIEX-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP CC[NH+](CC)CC1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649488083 396167444 /nfs/dbraw/zinc/16/74/44/396167444.db2.gz BEJLRWVCGQQIEX-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000649537877 396181519 /nfs/dbraw/zinc/18/15/19/396181519.db2.gz SOJUCDKOXHHPLJ-JKSUJKDBSA-N 2 1 265.445 2.031 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000646091883 396289510 /nfs/dbraw/zinc/28/95/10/396289510.db2.gz DYXQPIKYFFXNLF-ZJPYXAASSA-N 2 1 288.435 2.258 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000646091883 396289512 /nfs/dbraw/zinc/28/95/12/396289512.db2.gz DYXQPIKYFFXNLF-ZJPYXAASSA-N 2 1 288.435 2.258 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(C[NH3+])c1 ZINC000646579195 396360141 /nfs/dbraw/zinc/36/01/41/396360141.db2.gz BCRSSNVOTPBMON-HNNXBMFYSA-N 2 1 275.396 2.348 20 0 CEADMP COc1ncncc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000647171268 396427407 /nfs/dbraw/zinc/42/74/07/396427407.db2.gz DPMHQKNUOZSECR-AWEZNQCLSA-N 2 1 292.427 2.087 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cc[nH]c2)[C@H](c2ccccc2)C1 ZINC000647248896 396449748 /nfs/dbraw/zinc/44/97/48/396449748.db2.gz MTALPXGFVCNXQE-SJORKVTESA-N 2 1 269.392 2.450 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)[C@H](C)O1 ZINC000647249310 396450104 /nfs/dbraw/zinc/45/01/04/396450104.db2.gz QYYNWCKEGZUPTL-ILMPWQCYSA-N 2 1 288.435 2.487 20 0 CEADMP CC[C@H](C)[C@H](C)[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000154455338 289145908 /nfs/dbraw/zinc/14/59/08/289145908.db2.gz AXBQQWIRQSHUIR-HOTGVXAUSA-N 2 1 269.477 2.428 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000650023934 400780221 /nfs/dbraw/zinc/78/02/21/400780221.db2.gz XYHAPICZJXCBPU-IKGGRYGDSA-N 2 1 280.456 2.248 20 0 CEADMP CC[C@H](C)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707390 400998677 /nfs/dbraw/zinc/99/86/77/400998677.db2.gz FBNUWMXKMXROOE-AJNGGQMLSA-N 2 1 254.418 2.251 20 0 CEADMP CC1(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000650707477 400998841 /nfs/dbraw/zinc/99/88/41/400998841.db2.gz GZRYYNRNCAVJBW-MELADBBJSA-N 2 1 252.402 2.005 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccc3cnccc3c2)C[C@H]1C[NH3+] ZINC000650714583 401004301 /nfs/dbraw/zinc/00/43/01/401004301.db2.gz POQZBXWNBLKXBM-IAGOWNOFSA-N 2 1 285.391 2.030 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000650720593 401009826 /nfs/dbraw/zinc/00/98/26/401009826.db2.gz VCZWHLMMHNTNTJ-FGTMMUONSA-N 2 1 287.451 2.416 20 0 CEADMP Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650722355 401011483 /nfs/dbraw/zinc/01/14/83/401011483.db2.gz QGTLKVQYMYWIHU-BPLDGKMQSA-N 2 1 295.452 2.312 20 0 CEADMP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650722355 401011491 /nfs/dbraw/zinc/01/14/91/401011491.db2.gz QGTLKVQYMYWIHU-BPLDGKMQSA-N 2 1 295.452 2.312 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cncs2)C1 ZINC000650723953 401011739 /nfs/dbraw/zinc/01/17/39/401011739.db2.gz WDJKHNKPGNBLSH-MRVWCRGKSA-N 2 1 281.425 2.004 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cscn2)C1 ZINC000650722059 401011873 /nfs/dbraw/zinc/01/18/73/401011873.db2.gz JVJWQBOVBYLSIK-MRVWCRGKSA-N 2 1 281.425 2.004 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cscn2)C1 ZINC000650722059 401011879 /nfs/dbraw/zinc/01/18/79/401011879.db2.gz JVJWQBOVBYLSIK-MRVWCRGKSA-N 2 1 281.425 2.004 20 0 CEADMP CCCC[C@H](COC)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359934478 155174974 /nfs/dbraw/zinc/17/49/74/155174974.db2.gz NBBYOBUTKSZTML-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP CCCC[C@H](COC)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000359934478 155174976 /nfs/dbraw/zinc/17/49/76/155174976.db2.gz NBBYOBUTKSZTML-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC000359950804 155176563 /nfs/dbraw/zinc/17/65/63/155176563.db2.gz UOHXMCBRTQDWAC-GJZGRUSLSA-N 2 1 283.460 2.144 20 0 CEADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCC3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC000650762052 401036399 /nfs/dbraw/zinc/03/63/99/401036399.db2.gz RJSXEWKEVJYJTE-ROUUACIJSA-N 3 1 287.451 2.459 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](COC)CC(C)(C)C)C1 ZINC000651681733 401370823 /nfs/dbraw/zinc/37/08/23/401370823.db2.gz ZPUVYQQYAHYRMZ-KBPBESRZSA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651808174 401395671 /nfs/dbraw/zinc/39/56/71/401395671.db2.gz IEVFWOZHEVHAPH-OAHLLOKOSA-N 2 1 299.422 2.087 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651808174 401395673 /nfs/dbraw/zinc/39/56/73/401395673.db2.gz IEVFWOZHEVHAPH-OAHLLOKOSA-N 2 1 299.422 2.087 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000652222150 401467088 /nfs/dbraw/zinc/46/70/88/401467088.db2.gz GNGXJEWDSXWRRT-BRWVUGGUSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000652222150 401467093 /nfs/dbraw/zinc/46/70/93/401467093.db2.gz GNGXJEWDSXWRRT-BRWVUGGUSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000652222150 401467095 /nfs/dbraw/zinc/46/70/95/401467095.db2.gz GNGXJEWDSXWRRT-BRWVUGGUSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000652222150 401467098 /nfs/dbraw/zinc/46/70/98/401467098.db2.gz GNGXJEWDSXWRRT-BRWVUGGUSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000652222150 401467102 /nfs/dbraw/zinc/46/71/02/401467102.db2.gz GNGXJEWDSXWRRT-BRWVUGGUSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000652222150 401467105 /nfs/dbraw/zinc/46/71/05/401467105.db2.gz GNGXJEWDSXWRRT-BRWVUGGUSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000652222150 401467106 /nfs/dbraw/zinc/46/71/06/401467106.db2.gz GNGXJEWDSXWRRT-BRWVUGGUSA-N 3 1 281.488 2.427 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000652338547 401490001 /nfs/dbraw/zinc/49/00/01/401490001.db2.gz VFESYHZVFAPYJV-ZWKOTPCHSA-N 2 1 290.451 2.302 20 0 CEADMP Cc1cnc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000652350230 401491536 /nfs/dbraw/zinc/49/15/36/401491536.db2.gz MWVYUAGKFDQXSM-XQLPTFJDSA-N 2 1 293.411 2.262 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]1CC[NH3+] ZINC000652356084 401493540 /nfs/dbraw/zinc/49/35/40/401493540.db2.gz RRPWOXZCLAUEQC-RDTXWAMCSA-N 3 1 287.451 2.282 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCc2ccc(F)cc21 ZINC000652363852 401494902 /nfs/dbraw/zinc/49/49/02/401494902.db2.gz PPAURPQLLFNYBO-STQMWFEESA-N 2 1 262.372 2.397 20 0 CEADMP COCCCCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363151 401495005 /nfs/dbraw/zinc/49/50/05/401495005.db2.gz YZNQDDTUKJNQAX-ARFHVFGLSA-N 2 1 284.444 2.164 20 0 CEADMP COc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000360589412 155331689 /nfs/dbraw/zinc/33/16/89/155331689.db2.gz QSRFSNVXTULOKS-WMLDXEAASA-N 2 1 292.423 2.394 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000414816486 286301386 /nfs/dbraw/zinc/30/13/86/286301386.db2.gz XFEPKODIZVHWKC-LRDDRELGSA-N 2 1 262.397 2.343 20 0 CEADMP C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)O[C@H]1CCCCO1 ZINC000193057205 153228258 /nfs/dbraw/zinc/22/82/58/153228258.db2.gz KZFNNQOCJFGEEJ-IRXDYDNUSA-N 2 1 296.455 2.480 20 0 CEADMP C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)O[C@H]1CCCCO1 ZINC000193057205 153228262 /nfs/dbraw/zinc/22/82/62/153228262.db2.gz KZFNNQOCJFGEEJ-IRXDYDNUSA-N 2 1 296.455 2.480 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193049838 153228305 /nfs/dbraw/zinc/22/83/05/153228305.db2.gz JVBSROZWPPFLFP-AGUYFDCRSA-N 2 1 290.455 2.260 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193049838 153228307 /nfs/dbraw/zinc/22/83/07/153228307.db2.gz JVBSROZWPPFLFP-AGUYFDCRSA-N 2 1 290.455 2.260 20 0 CEADMP C=Cn1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cn1 ZINC000193910787 153246040 /nfs/dbraw/zinc/24/60/40/153246040.db2.gz LBMVCKVFZXOJPK-UHFFFAOYSA-N 2 1 285.395 2.172 20 0 CEADMP C[N@@H+](C[C@]1(O)CCN(Cc2ccccc2)C1)C1CCC1 ZINC000194784500 153264465 /nfs/dbraw/zinc/26/44/65/153264465.db2.gz QIYZOCMBNMPGGS-QGZVFWFLSA-N 2 1 274.408 2.108 20 0 CEADMP C[N@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CCC1 ZINC000194784500 153264471 /nfs/dbraw/zinc/26/44/71/153264471.db2.gz QIYZOCMBNMPGGS-QGZVFWFLSA-N 2 1 274.408 2.108 20 0 CEADMP C[N@@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CCC1 ZINC000194784500 153264477 /nfs/dbraw/zinc/26/44/77/153264477.db2.gz QIYZOCMBNMPGGS-QGZVFWFLSA-N 2 1 274.408 2.108 20 0 CEADMP C[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000194784500 153264481 /nfs/dbraw/zinc/26/44/81/153264481.db2.gz QIYZOCMBNMPGGS-QGZVFWFLSA-N 2 1 274.408 2.108 20 0 CEADMP C[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000194784500 153264486 /nfs/dbraw/zinc/26/44/86/153264486.db2.gz QIYZOCMBNMPGGS-QGZVFWFLSA-N 2 1 274.408 2.108 20 0 CEADMP CC[N@H+]1CC[C@H](CNCc2ncc(Cl)s2)C1 ZINC000225315865 153325051 /nfs/dbraw/zinc/32/50/51/153325051.db2.gz XPAGRSGNKFHKDU-SECBINFHSA-N 2 1 259.806 2.228 20 0 CEADMP C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1nccn1C ZINC000226913369 153336924 /nfs/dbraw/zinc/33/69/24/153336924.db2.gz VMHWMEQOCFAQIV-UONOGXRCSA-N 2 1 264.417 2.335 20 0 CEADMP COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@H]([NH3+])C2)cc1F ZINC000346080440 154287259 /nfs/dbraw/zinc/28/72/59/154287259.db2.gz CZODGJCMYQAHND-JSGCOSHPSA-N 2 1 280.387 2.436 20 0 CEADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@H]([NH3+])C2)cc1F ZINC000346080440 154287262 /nfs/dbraw/zinc/28/72/62/154287262.db2.gz CZODGJCMYQAHND-JSGCOSHPSA-N 2 1 280.387 2.436 20 0 CEADMP CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352750711 154332575 /nfs/dbraw/zinc/33/25/75/154332575.db2.gz RFOCQQGVCIVCIG-VXGBXAGGSA-N 2 1 285.457 2.091 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCOC3(CCC3)C2)s1 ZINC000352785417 154336395 /nfs/dbraw/zinc/33/63/95/154336395.db2.gz GEVGWOIIZRNOOK-GFCCVEGCSA-N 2 1 295.452 2.396 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CCC2CC[NH+](C)CC2)s1 ZINC000352783460 154339579 /nfs/dbraw/zinc/33/95/79/154339579.db2.gz BYMSTJJGJZKIFS-UHFFFAOYSA-N 3 1 296.484 2.026 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357080459 154378843 /nfs/dbraw/zinc/37/88/43/154378843.db2.gz MUFZVDFIZIPDQE-HUUCEWRRSA-N 2 1 290.407 2.005 20 0 CEADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000361972471 292307870 /nfs/dbraw/zinc/30/78/70/292307870.db2.gz QZCXBUNPNQKLNS-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)N2CCCCC2)[C@H](C)C1 ZINC000359579074 155061619 /nfs/dbraw/zinc/06/16/19/155061619.db2.gz DHVXPZVKNMKIKD-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP COCCCC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000337042086 292321054 /nfs/dbraw/zinc/32/10/54/292321054.db2.gz BYHMTAOAMHUIHI-CVEARBPZSA-N 2 1 262.397 2.087 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000359677150 155107648 /nfs/dbraw/zinc/10/76/48/155107648.db2.gz NYGOOKZRTYXCSH-DOTOQJQBSA-N 2 1 287.451 2.369 20 0 CEADMP O[C@H](C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000363256875 156017725 /nfs/dbraw/zinc/01/77/25/156017725.db2.gz PZHGOLOHCWPENR-ZJPYXAASSA-N 2 1 286.419 2.136 20 0 CEADMP O[C@H](C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000363256875 156017728 /nfs/dbraw/zinc/01/77/28/156017728.db2.gz PZHGOLOHCWPENR-ZJPYXAASSA-N 2 1 286.419 2.136 20 0 CEADMP O[C@H](C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000363256875 156017729 /nfs/dbraw/zinc/01/77/29/156017729.db2.gz PZHGOLOHCWPENR-ZJPYXAASSA-N 2 1 286.419 2.136 20 0 CEADMP CSC1(C[N@H+]2CCC[C@H](n3ccnc3)C2)CC1 ZINC000367307854 156167196 /nfs/dbraw/zinc/16/71/96/156167196.db2.gz LXBMDSZJZKTJNN-LBPRGKRZSA-N 2 1 251.399 2.416 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000367467972 156191810 /nfs/dbraw/zinc/19/18/10/156191810.db2.gz ZSZHEOODNXCTDA-IJEWVQPXSA-N 2 1 287.407 2.012 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000367467972 156191814 /nfs/dbraw/zinc/19/18/14/156191814.db2.gz ZSZHEOODNXCTDA-IJEWVQPXSA-N 2 1 287.407 2.012 20 0 CEADMP Cc1ccc(O)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000367467972 156191816 /nfs/dbraw/zinc/19/18/16/156191816.db2.gz ZSZHEOODNXCTDA-IJEWVQPXSA-N 2 1 287.407 2.012 20 0 CEADMP Cc1ccc(O)c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000367467972 156191821 /nfs/dbraw/zinc/19/18/21/156191821.db2.gz ZSZHEOODNXCTDA-IJEWVQPXSA-N 2 1 287.407 2.012 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(O)cc2)[C@H]2CCC[C@H]21 ZINC000367629918 156217479 /nfs/dbraw/zinc/21/74/79/156217479.db2.gz BWNHODJQYWBRST-IXDOHACOSA-N 2 1 274.408 2.397 20 0 CEADMP Cc1csc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000367613232 156217487 /nfs/dbraw/zinc/21/74/87/156217487.db2.gz BYYOAWNEDWJKRS-JHJVBQTASA-N 2 1 265.426 2.414 20 0 CEADMP Cc1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000367613232 156217489 /nfs/dbraw/zinc/21/74/89/156217489.db2.gz BYYOAWNEDWJKRS-JHJVBQTASA-N 2 1 265.426 2.414 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000367901911 156254828 /nfs/dbraw/zinc/25/48/28/156254828.db2.gz IDHPTXCOMZUMKS-ZDUSSCGKSA-N 2 1 294.468 2.043 20 0 CEADMP Cc1ccc([C@H](O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000368313388 156320026 /nfs/dbraw/zinc/32/00/26/156320026.db2.gz CEOXXFUHTUNXBQ-SJORKVTESA-N 2 1 274.408 2.056 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000368313388 156320028 /nfs/dbraw/zinc/32/00/28/156320028.db2.gz CEOXXFUHTUNXBQ-SJORKVTESA-N 2 1 274.408 2.056 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000368313388 156320030 /nfs/dbraw/zinc/32/00/30/156320030.db2.gz CEOXXFUHTUNXBQ-SJORKVTESA-N 2 1 274.408 2.056 20 0 CEADMP CC(C)CC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375892469 157159236 /nfs/dbraw/zinc/15/92/36/157159236.db2.gz UYRRIALOSSHBDZ-INIZCTEOSA-N 2 1 267.461 2.133 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cn3ccccc3n2)[C@@H]2CCC[C@@H]21 ZINC000375889155 157160095 /nfs/dbraw/zinc/16/00/95/157160095.db2.gz OEVJAELGKFCUBF-ULQDDVLXSA-N 2 1 298.434 2.339 20 0 CEADMP c1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCSC3)C2)ccn1 ZINC000375918388 157162652 /nfs/dbraw/zinc/16/26/52/157162652.db2.gz VSZBENWKBJQTDM-GXTWGEPZSA-N 2 1 264.394 2.288 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnn3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000376110913 157186441 /nfs/dbraw/zinc/18/64/41/157186441.db2.gz CANOHXXGWAPFRA-ZOBUZTSGSA-N 2 1 284.407 2.297 20 0 CEADMP CCOCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376176918 157193888 /nfs/dbraw/zinc/19/38/88/157193888.db2.gz DLAABIYRUDSCRO-UHFFFAOYSA-N 2 1 277.412 2.266 20 0 CEADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC000376442251 157223817 /nfs/dbraw/zinc/22/38/17/157223817.db2.gz MLDOQCZVYWGQGD-STQMWFEESA-N 2 1 273.384 2.013 20 0 CEADMP C[N@@H+](CCc1ccc(F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000259037468 162539214 /nfs/dbraw/zinc/53/92/14/162539214.db2.gz PFJGYXPONTVHGF-CQSZACIVSA-N 2 1 250.361 2.300 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000175453862 165139188 /nfs/dbraw/zinc/13/91/88/165139188.db2.gz RBLAUPPVTWZGCT-ZNMIVQPWSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)CCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000175453862 165139192 /nfs/dbraw/zinc/13/91/92/165139192.db2.gz RBLAUPPVTWZGCT-ZNMIVQPWSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)CCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000175453862 165139194 /nfs/dbraw/zinc/13/91/94/165139194.db2.gz RBLAUPPVTWZGCT-ZNMIVQPWSA-N 2 1 283.460 2.096 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C2CC2)cn1 ZINC000177233057 165189977 /nfs/dbraw/zinc/18/99/77/165189977.db2.gz MENCEYYEHPRAIJ-NSHDSACASA-N 2 1 256.353 2.464 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C(C)C ZINC000178704719 165257807 /nfs/dbraw/zinc/25/78/07/165257807.db2.gz ZRQSQDSWCWJZEI-TZMCWYRMSA-N 2 1 253.390 2.088 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1O ZINC000179953543 165293506 /nfs/dbraw/zinc/29/35/06/165293506.db2.gz BNNXKPPRONOEMN-CABCVRRESA-N 2 1 290.407 2.317 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1O ZINC000179953543 165293512 /nfs/dbraw/zinc/29/35/12/165293512.db2.gz BNNXKPPRONOEMN-CABCVRRESA-N 2 1 290.407 2.317 20 0 CEADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1O ZINC000179953543 165293514 /nfs/dbraw/zinc/29/35/14/165293514.db2.gz BNNXKPPRONOEMN-CABCVRRESA-N 2 1 290.407 2.317 20 0 CEADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1O ZINC000179953543 165293516 /nfs/dbraw/zinc/29/35/16/165293516.db2.gz BNNXKPPRONOEMN-CABCVRRESA-N 2 1 290.407 2.317 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000182063247 165361719 /nfs/dbraw/zinc/36/17/19/165361719.db2.gz CSQHFMCTYFXCLC-NVXWUHKLSA-N 2 1 276.424 2.430 20 0 CEADMP Brc1ccc(C[NH2+]C2CC[NH2+]CC2)s1 ZINC000038041587 174043091 /nfs/dbraw/zinc/04/30/91/174043091.db2.gz YYXDJSMBKJSIDS-UHFFFAOYSA-N 2 1 275.215 2.352 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000040600011 174350370 /nfs/dbraw/zinc/35/03/70/174350370.db2.gz PMAAXGGZBPZWFP-CYBMUJFWSA-N 2 1 266.360 2.136 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000040600011 174350372 /nfs/dbraw/zinc/35/03/72/174350372.db2.gz PMAAXGGZBPZWFP-CYBMUJFWSA-N 2 1 266.360 2.136 20 0 CEADMP CCC[NH+]1CCC(NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040620979 174354887 /nfs/dbraw/zinc/35/48/87/174354887.db2.gz VIHPMLBGOCBQMR-OAHLLOKOSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000040620979 174354888 /nfs/dbraw/zinc/35/48/88/174354888.db2.gz VIHPMLBGOCBQMR-OAHLLOKOSA-N 3 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040620979 174354889 /nfs/dbraw/zinc/35/48/89/174354889.db2.gz VIHPMLBGOCBQMR-OAHLLOKOSA-N 3 1 267.461 2.181 20 0 CEADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)[C@H]1CCCCO1 ZINC000653875019 414767174 /nfs/dbraw/zinc/76/71/74/414767174.db2.gz NXDSVSPCZMPMJU-UONOGXRCSA-N 2 1 251.374 2.129 20 0 CEADMP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)[C@@H]1C[NH3+] ZINC000070177767 414767971 /nfs/dbraw/zinc/76/79/71/414767971.db2.gz XJUIJBOPFXMSNF-RHSMWYFYSA-N 2 1 284.407 2.432 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)[C@@H]1C[NH3+] ZINC000070177767 414767978 /nfs/dbraw/zinc/76/79/78/414767978.db2.gz XJUIJBOPFXMSNF-RHSMWYFYSA-N 2 1 284.407 2.432 20 0 CEADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)C[NH2+]C2 ZINC000662840241 414771150 /nfs/dbraw/zinc/77/11/50/414771150.db2.gz ZUKPSYDKKJEXDD-SJORKVTESA-N 2 1 299.418 2.037 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2)CC[C@@H]1[NH3+] ZINC000122873068 414792179 /nfs/dbraw/zinc/79/21/79/414792179.db2.gz XFWIDAJRHXONHP-HIFRSBDPSA-N 2 1 275.396 2.074 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cccc(C3CC3)c2)C[C@H]1C[NH3+] ZINC000405313455 414795060 /nfs/dbraw/zinc/79/50/60/414795060.db2.gz VLKAFTSVSBDQSK-IAGOWNOFSA-N 2 1 274.408 2.360 20 0 CEADMP CC1(C)CC([NH2+]Cc2cnc3n2CCC3)CC(C)(C)[NH2+]1 ZINC000657292015 414836664 /nfs/dbraw/zinc/83/66/64/414836664.db2.gz BSGWGSVLSLQXCY-UHFFFAOYSA-N 3 1 276.428 2.228 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C1CCC1 ZINC000660638754 414911582 /nfs/dbraw/zinc/91/15/82/414911582.db2.gz CLZMXJLEUKZYHM-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C1CCC1 ZINC000660638754 414911585 /nfs/dbraw/zinc/91/15/85/414911585.db2.gz CLZMXJLEUKZYHM-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C1CCC1 ZINC000660638754 414911590 /nfs/dbraw/zinc/91/15/90/414911590.db2.gz CLZMXJLEUKZYHM-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)c1cccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c1 ZINC000663320190 414911657 /nfs/dbraw/zinc/91/16/57/414911657.db2.gz STAKOWIJVTVIQD-MRXNPFEDSA-N 2 1 264.413 2.212 20 0 CEADMP COc1ccnc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660658590 414919889 /nfs/dbraw/zinc/91/98/89/414919889.db2.gz HQQNCLKQSYTSEU-INIZCTEOSA-N 2 1 275.396 2.008 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C1CCC1 ZINC000660659952 414920476 /nfs/dbraw/zinc/92/04/76/414920476.db2.gz CPZSRVLELLENTE-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@H](C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)C1CCC1 ZINC000660659952 414920478 /nfs/dbraw/zinc/92/04/78/414920478.db2.gz CPZSRVLELLENTE-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@H](C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)C1CCC1 ZINC000660659952 414920482 /nfs/dbraw/zinc/92/04/82/414920482.db2.gz CPZSRVLELLENTE-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP COCC(C)(C)C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343872 414921887 /nfs/dbraw/zinc/92/18/87/414921887.db2.gz IHAOUYQZCXKHNT-OAHLLOKOSA-N 2 1 268.445 2.371 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC000660662722 414922770 /nfs/dbraw/zinc/92/27/70/414922770.db2.gz LVEJDKCKFSCRKB-OAGGEKHMSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1=CCCC1 ZINC000663363350 414930003 /nfs/dbraw/zinc/93/00/03/414930003.db2.gz JUWOFRVAJRALTK-QGZVFWFLSA-N 2 1 274.408 2.179 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1=CCCC1 ZINC000663363350 414930007 /nfs/dbraw/zinc/93/00/07/414930007.db2.gz JUWOFRVAJRALTK-QGZVFWFLSA-N 2 1 274.408 2.179 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000653176390 414938022 /nfs/dbraw/zinc/93/80/22/414938022.db2.gz SOWROIJIXYNABP-CQSZACIVSA-N 2 1 285.476 2.105 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CO1 ZINC000657347680 414876381 /nfs/dbraw/zinc/87/63/81/414876381.db2.gz DWFNKKPCSSJBPC-RBSFLKMASA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000663186784 414881706 /nfs/dbraw/zinc/88/17/06/414881706.db2.gz AAMHVRLZTCYUBP-STQMWFEESA-N 2 1 276.428 2.040 20 0 CEADMP c1cc2[nH+]ccc(N3CCC[C@H]4C[NH2+]C[C@H]43)c2s1 ZINC000663242774 414893556 /nfs/dbraw/zinc/89/35/56/414893556.db2.gz TXIKJIYTXMKFSP-GXFFZTMASA-N 2 1 259.378 2.485 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C1CCCC1 ZINC000660616128 414900113 /nfs/dbraw/zinc/90/01/13/414900113.db2.gz GZJUIGCXJPPIJN-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)C1CCCC1 ZINC000660616128 414900116 /nfs/dbraw/zinc/90/01/16/414900116.db2.gz GZJUIGCXJPPIJN-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)C1CCCC1 ZINC000660616128 414900120 /nfs/dbraw/zinc/90/01/20/414900120.db2.gz GZJUIGCXJPPIJN-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CCCn1nccc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000657492565 414970438 /nfs/dbraw/zinc/97/04/38/414970438.db2.gz XRDGYVFPAKBCMC-AWEZNQCLSA-N 2 1 264.417 2.115 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@H](C)Cc1cccc(F)c1 ZINC000660781805 414971342 /nfs/dbraw/zinc/97/13/42/414971342.db2.gz WVBWGHGBEHDAKA-PBHICJAKSA-N 2 1 296.430 2.390 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)Cc1cccc(F)c1 ZINC000660781805 414971345 /nfs/dbraw/zinc/97/13/45/414971345.db2.gz WVBWGHGBEHDAKA-PBHICJAKSA-N 2 1 296.430 2.390 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)Cc1cccc(F)c1 ZINC000660781805 414971348 /nfs/dbraw/zinc/97/13/48/414971348.db2.gz WVBWGHGBEHDAKA-PBHICJAKSA-N 2 1 296.430 2.390 20 0 CEADMP CC(C)n1ccnc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000657491892 414971472 /nfs/dbraw/zinc/97/14/72/414971472.db2.gz MLIDCAQUZZGBSF-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CNCC[C@@H]([NH3+])C(C)C ZINC000663500987 414974255 /nfs/dbraw/zinc/97/42/55/414974255.db2.gz XKBWMLWGUWUOEG-MRXNPFEDSA-N 2 1 287.411 2.039 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccn1 ZINC000657535280 414990958 /nfs/dbraw/zinc/99/09/58/414990958.db2.gz LIQCIBVQYIAVHK-RBSFLKMASA-N 2 1 259.397 2.402 20 0 CEADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657589428 415013880 /nfs/dbraw/zinc/01/38/80/415013880.db2.gz ZFHIULYYGOUVNF-HZPDHXFCSA-N 2 1 259.397 2.149 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@]1(C)CCC[NH2+]1)C1CCCCC1 ZINC000653200878 414945009 /nfs/dbraw/zinc/94/50/09/414945009.db2.gz SNJNJHZLNDRWJF-KRWDZBQOSA-N 2 1 295.471 2.289 20 0 CEADMP c1nc2n(c1CNc1[nH]c3ccccc3[nH+]1)CCC2 ZINC000657465332 414950614 /nfs/dbraw/zinc/95/06/14/414950614.db2.gz YOXPPOAZFSIULI-UHFFFAOYSA-N 2 1 253.309 2.318 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C)CC2)[C@H](C)C1 ZINC000663464451 414963554 /nfs/dbraw/zinc/96/35/54/414963554.db2.gz LWAPQQWJAORACI-LVDPKSTMSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@H](CCCCO)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469093 414965164 /nfs/dbraw/zinc/96/51/64/414965164.db2.gz OLVDTNFQVUEQKK-GDBMZVCRSA-N 2 1 268.445 2.249 20 0 CEADMP C[C@H]1C[N@@H+](CCCNc2[nH+]ccc3[nH]ccc32)CCCO1 ZINC000663848482 415070895 /nfs/dbraw/zinc/07/08/95/415070895.db2.gz HLTCNMRLFSAGSW-ZDUSSCGKSA-N 2 1 288.395 2.476 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000653685304 415073982 /nfs/dbraw/zinc/07/39/82/415073982.db2.gz XSRZUVYGHZQSMX-CQSZACIVSA-N 2 1 293.802 2.150 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000653685304 415073988 /nfs/dbraw/zinc/07/39/88/415073988.db2.gz XSRZUVYGHZQSMX-CQSZACIVSA-N 2 1 293.802 2.150 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(c3[nH+]ccc4[nH]ccc43)C2)C1 ZINC000663936445 415094553 /nfs/dbraw/zinc/09/45/53/415094553.db2.gz UJKBZAOMFDIMHO-OAHLLOKOSA-N 2 1 256.353 2.095 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(c3[nH+]ccc4[nH]ccc43)C2)C1 ZINC000663936444 415094927 /nfs/dbraw/zinc/09/49/27/415094927.db2.gz UJKBZAOMFDIMHO-HNNXBMFYSA-N 2 1 256.353 2.095 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657844768 415102354 /nfs/dbraw/zinc/10/23/54/415102354.db2.gz JWHJYIFAAYKHJD-LBPRGKRZSA-N 2 1 260.372 2.396 20 0 CEADMP CCOC1CCC([NH2+]CCn2cc[nH+]c2C)CC1 ZINC000657864562 415107399 /nfs/dbraw/zinc/10/73/99/415107399.db2.gz QSRLFGAUNYLHII-UHFFFAOYSA-N 2 1 251.374 2.129 20 0 CEADMP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000655271077 415165971 /nfs/dbraw/zinc/16/59/71/415165971.db2.gz SGLLPOWSXUETOA-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(CC)c2)CC1 ZINC000044495472 175182630 /nfs/dbraw/zinc/18/26/30/175182630.db2.gz SXVCBUUWPSBFAL-ZDUSSCGKSA-N 2 1 264.417 2.428 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000565906095 298931773 /nfs/dbraw/zinc/93/17/73/298931773.db2.gz WVNWYJDMRKIFFQ-IHRRRGAJSA-N 2 1 262.401 2.308 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351500129 287301533 /nfs/dbraw/zinc/30/15/33/287301533.db2.gz WPMJBKGXWJEDAE-YXMSTPNBSA-N 2 1 266.429 2.251 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)O1 ZINC000658215224 415259533 /nfs/dbraw/zinc/25/95/33/415259533.db2.gz GDGYMXDECDOVPE-OIISXLGYSA-N 2 1 296.455 2.177 20 0 CEADMP OC/C=C/C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658139418 415228263 /nfs/dbraw/zinc/22/82/63/415228263.db2.gz PLHJGYJYQWLQJC-GVLDYHPKSA-N 2 1 286.419 2.320 20 0 CEADMP CC(C)[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658146004 415231909 /nfs/dbraw/zinc/23/19/09/415231909.db2.gz SVIKZQKEMRXZET-YOEHRIQHSA-N 2 1 276.424 2.387 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)CC[N@H+]1C ZINC000658348172 415329321 /nfs/dbraw/zinc/32/93/21/415329321.db2.gz NHLSCBCXKWFBPS-NXHRZFHOSA-N 2 1 287.451 2.333 20 0 CEADMP COCCCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655703896 415397221 /nfs/dbraw/zinc/39/72/21/415397221.db2.gz MWAWXMGGEOLATN-MRXNPFEDSA-N 2 1 284.444 2.036 20 0 CEADMP c1ccc2c(c1)C[C@H]2C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655709271 415401807 /nfs/dbraw/zinc/40/18/07/415401807.db2.gz VOJTXYUEMPSPCJ-DOTOQJQBSA-N 2 1 286.419 2.169 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@](O)(C2CC2)C1 ZINC000661630887 415368550 /nfs/dbraw/zinc/36/85/50/415368550.db2.gz DDTWVWPZEFXHKQ-HZPDHXFCSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661630887 415368557 /nfs/dbraw/zinc/36/85/57/415368557.db2.gz DDTWVWPZEFXHKQ-HZPDHXFCSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661630887 415368563 /nfs/dbraw/zinc/36/85/63/415368563.db2.gz DDTWVWPZEFXHKQ-HZPDHXFCSA-N 2 1 266.429 2.098 20 0 CEADMP Cc1ccccc1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655690907 415389246 /nfs/dbraw/zinc/38/92/46/415389246.db2.gz PXBKKLBLKLRTOI-GOSISDBHSA-N 2 1 288.435 2.380 20 0 CEADMP c1csc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655690274 415390860 /nfs/dbraw/zinc/39/08/60/415390860.db2.gz KHULELYIMNKXNF-CQSZACIVSA-N 2 1 280.437 2.134 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000655773283 415452063 /nfs/dbraw/zinc/45/20/63/415452063.db2.gz UOUNFPBNEOFLMB-DOMZBBRYSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)C[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000655774658 415456543 /nfs/dbraw/zinc/45/65/43/415456543.db2.gz DALBMRHIQNTPMB-GDBMZVCRSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000262063058 287306913 /nfs/dbraw/zinc/30/69/13/287306913.db2.gz RHDPQDIREODKCZ-PMPSAXMXSA-N 2 1 295.471 2.132 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000664719358 415462455 /nfs/dbraw/zinc/46/24/55/415462455.db2.gz PEVHPCOWZDCXJZ-UHFFFAOYSA-N 2 1 289.423 2.140 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000664719452 415462783 /nfs/dbraw/zinc/46/27/83/415462783.db2.gz SNOBDJQRKFWSLT-LSDHHAIUSA-N 2 1 297.487 2.249 20 0 CEADMP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655793415 415472001 /nfs/dbraw/zinc/47/20/01/415472001.db2.gz WLKGFDNJVFGGKT-BRWVUGGUSA-N 2 1 296.455 2.177 20 0 CEADMP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ncc[nH]2)cc1 ZINC000066593655 175762011 /nfs/dbraw/zinc/76/20/11/175762011.db2.gz ZXBPFKWLNVGFKY-UHFFFAOYSA-N 2 1 288.395 2.030 20 0 CEADMP c1ccc2c(CC[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)noc2c1 ZINC000655941451 415560065 /nfs/dbraw/zinc/56/00/65/415560065.db2.gz URCLUMLTAZTZRP-TZMCWYRMSA-N 2 1 271.364 2.054 20 0 CEADMP c1ccc2c(CC[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)noc2c1 ZINC000655941451 415560071 /nfs/dbraw/zinc/56/00/71/415560071.db2.gz URCLUMLTAZTZRP-TZMCWYRMSA-N 2 1 271.364 2.054 20 0 CEADMP COc1ccc2c(c1)C[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000656193593 415626985 /nfs/dbraw/zinc/62/69/85/415626985.db2.gz NZBKLAPHAVPZID-QWHCGFSZSA-N 2 1 260.381 2.399 20 0 CEADMP C[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccccn1 ZINC000665231969 415636120 /nfs/dbraw/zinc/63/61/20/415636120.db2.gz CFOKEUICTYMSLM-VXGBXAGGSA-N 2 1 256.353 2.343 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCOC1 ZINC000665257760 415652639 /nfs/dbraw/zinc/65/26/39/415652639.db2.gz TYHIHLPUMJQJGJ-GUDXXQAFSA-N 2 1 292.398 2.286 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665267029 415660939 /nfs/dbraw/zinc/66/09/39/415660939.db2.gz ODVKKRMWMANNJQ-MJBXVCDLSA-N 2 1 253.434 2.109 20 0 CEADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H](CC2CC2)c2ccccc2)n1 ZINC000665291700 415678776 /nfs/dbraw/zinc/67/87/76/415678776.db2.gz INWDXLMKLKTLJE-HNNXBMFYSA-N 2 1 298.390 2.272 20 0 CEADMP CCn1nccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000665299808 415687126 /nfs/dbraw/zinc/68/71/26/415687126.db2.gz TYQRDQNIPVKEGR-BZUAXINKSA-N 2 1 276.428 2.303 20 0 CEADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)C1CC[NH+](C)CC1 ZINC000071376852 176142150 /nfs/dbraw/zinc/14/21/50/176142150.db2.gz KUZWLQHOVLVBAV-CQSZACIVSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)C1CC[NH+](C)CC1 ZINC000071376852 176142152 /nfs/dbraw/zinc/14/21/52/176142152.db2.gz KUZWLQHOVLVBAV-CQSZACIVSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662250831 415716327 /nfs/dbraw/zinc/71/63/27/415716327.db2.gz OZDAUQMVCPVIGY-MGPQQGTHSA-N 2 1 252.402 2.018 20 0 CEADMP [NH3+]CCCCc1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656456189 415716589 /nfs/dbraw/zinc/71/65/89/415716589.db2.gz SXMLAWIOSJUJRD-QGZVFWFLSA-N 2 1 299.422 2.007 20 0 CEADMP CC[N@@H+](CCc1cccs1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251786 415716687 /nfs/dbraw/zinc/71/66/87/415716687.db2.gz HGSFHBYBCKUFMI-ZDUSSCGKSA-N 2 1 280.437 2.134 20 0 CEADMP OCCCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000662254503 415721346 /nfs/dbraw/zinc/72/13/46/415721346.db2.gz IZYDMYSNPJGCCO-UHFFFAOYSA-N 2 1 274.408 2.069 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]2CN2CCCC2)c2c(c1)C[NH2+]CC2 ZINC000662260132 415730263 /nfs/dbraw/zinc/73/02/63/415730263.db2.gz IIOZXNSAHWYYQM-GOSISDBHSA-N 2 1 299.462 2.393 20 0 CEADMP c1cc(C[N@@H+]2CCC[C@@H]2CN2CCCC2)c2c(c1)C[NH2+]CC2 ZINC000662260132 415730266 /nfs/dbraw/zinc/73/02/66/415730266.db2.gz IIOZXNSAHWYYQM-GOSISDBHSA-N 2 1 299.462 2.393 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1=CCSC1 ZINC000662267859 415732133 /nfs/dbraw/zinc/73/21/33/415732133.db2.gz JSWVJNRYMHRAPY-UHFFFAOYSA-N 2 1 251.399 2.187 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1=CCSC1 ZINC000662267859 415732139 /nfs/dbraw/zinc/73/21/39/415732139.db2.gz JSWVJNRYMHRAPY-UHFFFAOYSA-N 2 1 251.399 2.187 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC000662265256 415732778 /nfs/dbraw/zinc/73/27/78/415732778.db2.gz GREVYYYWPHLCDH-MRVWCRGKSA-N 2 1 261.369 2.111 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC000662265256 415732783 /nfs/dbraw/zinc/73/27/83/415732783.db2.gz GREVYYYWPHLCDH-MRVWCRGKSA-N 2 1 261.369 2.111 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000662266819 415733501 /nfs/dbraw/zinc/73/35/01/415733501.db2.gz PIGQDHAAVRRBME-CVEARBPZSA-N 2 1 266.429 2.267 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](CCc2nsc3ccccc32)C1 ZINC000662247218 415707030 /nfs/dbraw/zinc/70/70/30/415707030.db2.gz VTRDBDBFXPAXKH-LBPRGKRZSA-N 2 1 275.421 2.380 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000662247218 415707035 /nfs/dbraw/zinc/70/70/35/415707035.db2.gz VTRDBDBFXPAXKH-LBPRGKRZSA-N 2 1 275.421 2.380 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662244152 415708554 /nfs/dbraw/zinc/70/85/54/415708554.db2.gz DNEHJLSDWWEDDV-LBPRGKRZSA-N 2 1 298.333 2.092 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248549 415712333 /nfs/dbraw/zinc/71/23/33/415712333.db2.gz FSVZTOZGRVDRBV-UKRRQHHQSA-N 2 1 260.381 2.200 20 0 CEADMP c1ccc(C[C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248465 415712721 /nfs/dbraw/zinc/71/27/21/415712721.db2.gz CDSRCKVBLZOAQF-IRXDYDNUSA-N 2 1 286.419 2.215 20 0 CEADMP c1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c2c(c1)C[NH2+]CC2 ZINC000662251046 415715740 /nfs/dbraw/zinc/71/57/40/415715740.db2.gz WSUBUHLSFILBGK-CQSZACIVSA-N 2 1 286.419 2.333 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000662276837 415742741 /nfs/dbraw/zinc/74/27/41/415742741.db2.gz LNMQPDHPEIQYHV-HOTGVXAUSA-N 2 1 266.429 2.267 20 0 CEADMP CC[N@H+]1C[C@H](C)N(Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662276930 415746518 /nfs/dbraw/zinc/74/65/18/415746518.db2.gz AOUWLWYGRIKAEY-CABCVRRESA-N 2 1 287.451 2.247 20 0 CEADMP CCN1C[C@H](C)[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662276930 415746521 /nfs/dbraw/zinc/74/65/21/415746521.db2.gz AOUWLWYGRIKAEY-CABCVRRESA-N 2 1 287.451 2.247 20 0 CEADMP CCN1C[C@H](C)[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662276930 415746525 /nfs/dbraw/zinc/74/65/25/415746525.db2.gz AOUWLWYGRIKAEY-CABCVRRESA-N 2 1 287.451 2.247 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662279665 415746612 /nfs/dbraw/zinc/74/66/12/415746612.db2.gz WNVHQWPHSNQXPB-SJORKVTESA-N 2 1 286.419 2.344 20 0 CEADMP CC1(C)CCCC[C@H]1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000662282481 415749211 /nfs/dbraw/zinc/74/92/11/415749211.db2.gz VTRUWITZEJVQAP-UONOGXRCSA-N 2 1 254.418 2.252 20 0 CEADMP Cc1nnsc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662272375 415738768 /nfs/dbraw/zinc/73/87/68/415738768.db2.gz FMQDQCXNZDXREB-STQMWFEESA-N 2 1 280.441 2.058 20 0 CEADMP C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662300720 415766325 /nfs/dbraw/zinc/76/63/25/415766325.db2.gz HWTTVWNBNZIZQP-KBXCAEBGSA-N 2 1 288.435 2.315 20 0 CEADMP COc1cccc([C@]2(C)CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)c1 ZINC000662310633 415772045 /nfs/dbraw/zinc/77/20/45/415772045.db2.gz LYHUEBWISGNTHU-WMLDXEAASA-N 2 1 274.408 2.268 20 0 CEADMP Cc1cc(C)c2c(c1)C[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662281978 415750076 /nfs/dbraw/zinc/75/00/76/415750076.db2.gz NCKXTNOZPDYTLV-INIZCTEOSA-N 2 1 286.419 2.183 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(C3CC3)no1)C2 ZINC000662285470 415751759 /nfs/dbraw/zinc/75/17/59/415751759.db2.gz KFNGEUWZQJJQJX-WFASDCNBSA-N 2 1 261.369 2.113 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(C3CC3)no1)C2 ZINC000662285470 415751764 /nfs/dbraw/zinc/75/17/64/415751764.db2.gz KFNGEUWZQJJQJX-WFASDCNBSA-N 2 1 261.369 2.113 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C1CCC1 ZINC000662284321 415752159 /nfs/dbraw/zinc/75/21/59/415752159.db2.gz MNHVSCKLMIYEDS-VVLHAWIVSA-N 2 1 296.455 2.162 20 0 CEADMP CO[C@@H](C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)C1CCCC1 ZINC000662287082 415755348 /nfs/dbraw/zinc/75/53/48/415755348.db2.gz VRVHGWDQTTWZHH-JYJNAYRXSA-N 2 1 266.429 2.252 20 0 CEADMP CCC(C)(C)NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295163 415758140 /nfs/dbraw/zinc/75/81/40/415758140.db2.gz FQHSHIVZGUDCEH-HNNXBMFYSA-N 2 1 295.471 2.003 20 0 CEADMP CCc1nnc([C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)[nH]1 ZINC000662295613 415758805 /nfs/dbraw/zinc/75/88/05/415758805.db2.gz VSUCIPGAYDNFIQ-GXTWGEPZSA-N 2 1 291.443 2.140 20 0 CEADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294546 415758855 /nfs/dbraw/zinc/75/88/55/415758855.db2.gz CJWMMFICXWMBPL-OFQRWUPVSA-N 2 1 295.471 2.001 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOCc2ccccc2)C1 ZINC000659989568 415832148 /nfs/dbraw/zinc/83/21/48/415832148.db2.gz OAPFQEWNYBFZCJ-QGZVFWFLSA-N 2 1 276.424 2.477 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOCc2ccccc2)C1 ZINC000659989568 415832153 /nfs/dbraw/zinc/83/21/53/415832153.db2.gz OAPFQEWNYBFZCJ-QGZVFWFLSA-N 2 1 276.424 2.477 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000659989568 415832160 /nfs/dbraw/zinc/83/21/60/415832160.db2.gz OAPFQEWNYBFZCJ-QGZVFWFLSA-N 2 1 276.424 2.477 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC000659989568 415832167 /nfs/dbraw/zinc/83/21/67/415832167.db2.gz OAPFQEWNYBFZCJ-QGZVFWFLSA-N 2 1 276.424 2.477 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CCC1 ZINC000660013391 415850051 /nfs/dbraw/zinc/85/00/51/415850051.db2.gz WYRRZACFXDUWBW-BZUAXINKSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1CCC1 ZINC000660013391 415850056 /nfs/dbraw/zinc/85/00/56/415850056.db2.gz WYRRZACFXDUWBW-BZUAXINKSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1CCC1 ZINC000660013391 415850062 /nfs/dbraw/zinc/85/00/62/415850062.db2.gz WYRRZACFXDUWBW-BZUAXINKSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC2CCCC2)CCO1 ZINC000662324369 415782109 /nfs/dbraw/zinc/78/21/09/415782109.db2.gz WJSGBBXPKSWZIH-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@](C)(C(F)F)O1 ZINC000662334679 415786746 /nfs/dbraw/zinc/78/67/46/415786746.db2.gz BTOWKODBMPFCGJ-SMDDNHRTSA-N 2 1 276.371 2.121 20 0 CEADMP C[N@H+](CCO[C@H]1CC1(F)F)CC[C@H]1CCCC[NH+]1C ZINC000659961497 415812552 /nfs/dbraw/zinc/81/25/52/415812552.db2.gz PIZQGOPBSBUTKK-OLZOCXBDSA-N 2 1 276.371 2.217 20 0 CEADMP C[N@@H+](CCO[C@H]1CC1(F)F)CC[C@H]1CCCC[NH+]1C ZINC000659961497 415812556 /nfs/dbraw/zinc/81/25/56/415812556.db2.gz PIZQGOPBSBUTKK-OLZOCXBDSA-N 2 1 276.371 2.217 20 0 CEADMP C[NH+](CCO[C@H]1CC1(F)F)CC[C@H]1CCCC[N@@H+]1C ZINC000659961497 415812561 /nfs/dbraw/zinc/81/25/61/415812561.db2.gz PIZQGOPBSBUTKK-OLZOCXBDSA-N 2 1 276.371 2.217 20 0 CEADMP C[NH+](CCO[C@H]1CC1(F)F)CC[C@H]1CCCC[N@H+]1C ZINC000659961497 415812567 /nfs/dbraw/zinc/81/25/67/415812567.db2.gz PIZQGOPBSBUTKK-OLZOCXBDSA-N 2 1 276.371 2.217 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000656693819 415816212 /nfs/dbraw/zinc/81/62/12/415816212.db2.gz ITJPDVCJGNEDIE-UKRRQHHQSA-N 2 1 282.453 2.490 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000656693819 415816219 /nfs/dbraw/zinc/81/62/19/415816219.db2.gz ITJPDVCJGNEDIE-UKRRQHHQSA-N 2 1 282.453 2.490 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000660141268 415900268 /nfs/dbraw/zinc/90/02/68/415900268.db2.gz SRNNMHMGONYMDM-KYHPRHEASA-N 2 1 291.483 2.133 20 0 CEADMP [NH3+]CC1(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC000662669446 415925808 /nfs/dbraw/zinc/92/58/08/415925808.db2.gz ZIQJZQZQLHEEQS-CQSZACIVSA-N 2 1 293.455 2.029 20 0 CEADMP Cc1nc(C)c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000076869425 177124822 /nfs/dbraw/zinc/12/48/22/177124822.db2.gz SPCXMCRUOLRBOQ-GFCCVEGCSA-N 2 1 253.415 2.191 20 0 CEADMP Cc1nc(C)c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)s1 ZINC000076869425 177124823 /nfs/dbraw/zinc/12/48/23/177124823.db2.gz SPCXMCRUOLRBOQ-GFCCVEGCSA-N 2 1 253.415 2.191 20 0 CEADMP COCC[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCCSC1 ZINC000566569077 299004702 /nfs/dbraw/zinc/00/47/02/299004702.db2.gz HMMZZWZRHOARMR-HNNXBMFYSA-N 2 1 297.468 2.197 20 0 CEADMP COCC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCCSC1 ZINC000566569077 299004703 /nfs/dbraw/zinc/00/47/03/299004703.db2.gz HMMZZWZRHOARMR-HNNXBMFYSA-N 2 1 297.468 2.197 20 0 CEADMP CC[C@@](C)(O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000364613082 287393248 /nfs/dbraw/zinc/39/32/48/287393248.db2.gz OJDCKIHIZDBUCF-GOEBONIOSA-N 2 1 280.456 2.344 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccccc1)C2 ZINC000314000506 419482174 /nfs/dbraw/zinc/48/21/74/419482174.db2.gz PFNKEHDAEWTEEY-YOEHRIQHSA-N 2 1 287.407 2.076 20 0 CEADMP COc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1F ZINC000666857895 419449281 /nfs/dbraw/zinc/44/92/81/419449281.db2.gz OORACWCSMLOODW-LBPRGKRZSA-N 2 1 252.333 2.066 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000666705344 419781001 /nfs/dbraw/zinc/78/10/01/419781001.db2.gz MJMNSTRCVILOEJ-HUUCEWRRSA-N 2 1 254.418 2.108 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN(C)Cc1cc(C)ccc1C ZINC000517755067 260174570 /nfs/dbraw/zinc/17/45/70/260174570.db2.gz MMJPDLZINKSPME-INIZCTEOSA-N 2 1 264.413 2.048 20 0 CEADMP CCn1nnc(C)c1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000449084867 260207619 /nfs/dbraw/zinc/20/76/19/260207619.db2.gz ZJMFNFCDFQPPSQ-AWEZNQCLSA-N 2 1 293.459 2.351 20 0 CEADMP O=C(CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)Nc1ccccc1 ZINC000517922602 260319100 /nfs/dbraw/zinc/31/91/00/260319100.db2.gz MGUGSBPLUWRGCH-CQSZACIVSA-N 2 1 287.407 2.089 20 0 CEADMP C[C@@H]1CN(C(=O)CC[NH+](C)C2CCCCC2)C[C@H](C)[N@@H+]1C ZINC000517990892 260332653 /nfs/dbraw/zinc/33/26/53/260332653.db2.gz QTMRKEVBJHBYDK-GASCZTMLSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H](C)[NH+]1C ZINC000517990892 260332655 /nfs/dbraw/zinc/33/26/55/260332655.db2.gz QTMRKEVBJHBYDK-GASCZTMLSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H](C)[NH+]1C ZINC000517990892 260332657 /nfs/dbraw/zinc/33/26/57/260332657.db2.gz QTMRKEVBJHBYDK-GASCZTMLSA-N 2 1 295.471 2.192 20 0 CEADMP c1ccc(-c2noc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000319218604 262185721 /nfs/dbraw/zinc/18/57/21/262185721.db2.gz IBQJRONOGZLBLA-GASCZTMLSA-N 2 1 298.390 2.168 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390521468 262205905 /nfs/dbraw/zinc/20/59/05/262205905.db2.gz GQRPZMJCVMPESJ-OKZBNKHCSA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390521468 262205906 /nfs/dbraw/zinc/20/59/06/262205906.db2.gz GQRPZMJCVMPESJ-OKZBNKHCSA-N 2 1 287.451 2.368 20 0 CEADMP CCC(O)(CC)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000471787563 263263585 /nfs/dbraw/zinc/26/35/85/263263585.db2.gz MUDIBUIECDSPMQ-MGPQQGTHSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000430584437 263324904 /nfs/dbraw/zinc/32/49/04/263324904.db2.gz YZNUZGSWJHBEPJ-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000430584437 263324906 /nfs/dbraw/zinc/32/49/06/263324906.db2.gz YZNUZGSWJHBEPJ-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP Cc1ncsc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397257291 270352097 /nfs/dbraw/zinc/35/20/97/270352097.db2.gz FWEIRQMUZUBSDT-NHCYSSNCSA-N 2 1 253.415 2.257 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CC2)C[C@@H]1C ZINC000425420310 264312168 /nfs/dbraw/zinc/31/21/68/264312168.db2.gz LCAXREXVWUTPGW-AEGPPILISA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)C2CC2)C[C@@H]1C ZINC000425420310 264312169 /nfs/dbraw/zinc/31/21/69/264312169.db2.gz LCAXREXVWUTPGW-AEGPPILISA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)C2CC2)C[C@@H]1C ZINC000425420310 264312170 /nfs/dbraw/zinc/31/21/70/264312170.db2.gz LCAXREXVWUTPGW-AEGPPILISA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2(C)CC2)C1 ZINC000519272707 265380764 /nfs/dbraw/zinc/38/07/64/265380764.db2.gz PCRQTAJCVDXHKA-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868758 270233070 /nfs/dbraw/zinc/23/30/70/270233070.db2.gz ZNALFSBLDMDVEV-HUUCEWRRSA-N 2 1 260.381 2.412 20 0 CEADMP COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868758 270233071 /nfs/dbraw/zinc/23/30/71/270233071.db2.gz ZNALFSBLDMDVEV-HUUCEWRRSA-N 2 1 260.381 2.412 20 0 CEADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000227715120 270311302 /nfs/dbraw/zinc/31/13/02/270311302.db2.gz CQAGBPFFNFKAND-MJBXVCDLSA-N 2 1 299.459 2.362 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1cc(Br)cs1)C1CC1 ZINC000399250730 270368729 /nfs/dbraw/zinc/36/87/29/270368729.db2.gz JXZZZPSNYLNIKL-JTQLQIEISA-N 2 1 275.215 2.338 20 0 CEADMP C[C@H]([NH3+])CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000420366072 270528092 /nfs/dbraw/zinc/52/80/92/270528092.db2.gz FKXTYDJBFZLFLB-CGTJXYLNSA-N 2 1 287.451 2.320 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccc(Cl)cc1 ZINC000422776946 270762087 /nfs/dbraw/zinc/76/20/87/270762087.db2.gz BHQRXAGQPVSJLD-MELADBBJSA-N 2 1 268.788 2.497 20 0 CEADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000423041070 270823771 /nfs/dbraw/zinc/82/37/71/270823771.db2.gz INQSTEQEQIOZSC-YJNKXOJESA-N 2 1 254.418 2.168 20 0 CEADMP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423121729 270841974 /nfs/dbraw/zinc/84/19/74/270841974.db2.gz BHCJZAKLHPCNCY-MAZHCROVSA-N 2 1 289.423 2.273 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423130414 270845929 /nfs/dbraw/zinc/84/59/29/270845929.db2.gz YFUABPWEZAIDKM-XOYOTBSWSA-N 2 1 288.435 2.273 20 0 CEADMP CCCc1ncc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000423149070 270851011 /nfs/dbraw/zinc/85/10/11/270851011.db2.gz AHBSHOVFBFBREY-DGCLKSJQSA-N 2 1 251.374 2.234 20 0 CEADMP CCc1nc2c(s1)[C@H]([NH2+][C@@H](C[NH3+])C1CC1)CCC2 ZINC000423274975 270887110 /nfs/dbraw/zinc/88/71/10/270887110.db2.gz LBTZPMWIXZXMKK-PWSUYJOCSA-N 2 1 265.426 2.410 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)[C@H](C)[NH3+] ZINC000423444248 270912384 /nfs/dbraw/zinc/91/23/84/270912384.db2.gz LMMMRRBDZWQJFJ-TUAOUCFPSA-N 2 1 264.369 2.234 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000424239210 271033026 /nfs/dbraw/zinc/03/30/26/271033026.db2.gz MBOVFGABBJZERI-BETUJISGSA-N 2 1 275.396 2.265 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC000424257254 271036330 /nfs/dbraw/zinc/03/63/30/271036330.db2.gz BCSWJPACNCWEOW-DNDYEEKYSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC000424257254 271036333 /nfs/dbraw/zinc/03/63/33/271036333.db2.gz BCSWJPACNCWEOW-DNDYEEKYSA-N 2 1 282.428 2.181 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)C[C@H]2C1 ZINC000424267171 271037026 /nfs/dbraw/zinc/03/70/26/271037026.db2.gz MBHDVAWSQHJDAB-VRXFMZDNSA-N 2 1 278.440 2.406 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)C[C@H]2C1 ZINC000424267171 271037029 /nfs/dbraw/zinc/03/70/29/271037029.db2.gz MBHDVAWSQHJDAB-VRXFMZDNSA-N 2 1 278.440 2.406 20 0 CEADMP [NH3+][C@H](Cc1ccccc1)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424342360 271049849 /nfs/dbraw/zinc/04/98/49/271049849.db2.gz XURUEZRPICTTOZ-CYBMUJFWSA-N 2 1 286.379 2.430 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000424430290 271055110 /nfs/dbraw/zinc/05/51/10/271055110.db2.gz ZVHGIILQCPKSTO-DOMZBBRYSA-N 2 1 290.411 2.058 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426709614 271231160 /nfs/dbraw/zinc/23/11/60/271231160.db2.gz DVACUVYTTXQMBP-UHFFFAOYSA-N 2 1 297.487 2.347 20 0 CEADMP CC(C)OC1CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000428259021 271252114 /nfs/dbraw/zinc/25/21/14/271252114.db2.gz HTLWIMYTTHBBNM-PFSRBDOWSA-N 2 1 252.402 2.159 20 0 CEADMP CC(C)OC1CC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000428259021 271252118 /nfs/dbraw/zinc/25/21/18/271252118.db2.gz HTLWIMYTTHBBNM-PFSRBDOWSA-N 2 1 252.402 2.159 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000429495453 271334928 /nfs/dbraw/zinc/33/49/28/271334928.db2.gz WBDZOCIRVDZYGA-CZUORRHYSA-N 2 1 289.423 2.197 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC2(OC)CCC2)C1 ZINC000429524302 271336325 /nfs/dbraw/zinc/33/63/25/271336325.db2.gz VYBPEFBVVXGDPE-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCc1nc2ccccc2n1C ZINC000430558826 271390934 /nfs/dbraw/zinc/39/09/34/271390934.db2.gz BNQAIHCRZSVSEP-CQSZACIVSA-N 2 1 288.439 2.421 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1)C1CCCC1 ZINC000430572877 271392786 /nfs/dbraw/zinc/39/27/86/271392786.db2.gz PICOMRYSOWDVMX-GJZGRUSLSA-N 2 1 295.471 2.225 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)C1CCCC1 ZINC000430572877 271392791 /nfs/dbraw/zinc/39/27/91/271392791.db2.gz PICOMRYSOWDVMX-GJZGRUSLSA-N 2 1 295.471 2.225 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)CC2CCCCC2)C1 ZINC000430580801 271393975 /nfs/dbraw/zinc/39/39/75/271393975.db2.gz SMLQGZXUEZMNBD-ZBFHGGJFSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)CC2CCCCC2)C1 ZINC000430580801 271393977 /nfs/dbraw/zinc/39/39/77/271393977.db2.gz SMLQGZXUEZMNBD-ZBFHGGJFSA-N 2 1 295.471 2.084 20 0 CEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000430577656 271394471 /nfs/dbraw/zinc/39/44/71/271394471.db2.gz CXUJRACPCQEIQG-OAHLLOKOSA-N 2 1 281.375 2.117 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430577357 271395237 /nfs/dbraw/zinc/39/52/37/271395237.db2.gz XREFKNAVVFWEAG-OAHLLOKOSA-N 2 1 260.385 2.106 20 0 CEADMP CC[NH2+]CC1CC[NH+]([C@H](C)c2nc(CC)no2)CC1 ZINC000430579906 271395261 /nfs/dbraw/zinc/39/52/61/271395261.db2.gz GSFFMTORFODWPW-LLVKDONJSA-N 2 1 266.389 2.015 20 0 CEADMP CC[N@H+](CC(=O)N(C(C)C)C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435628334 271634029 /nfs/dbraw/zinc/63/40/29/271634029.db2.gz QJMZHHOIBMMAOS-HNNXBMFYSA-N 2 1 283.460 2.096 20 0 CEADMP CC[N@@H+](CC(=O)N(C(C)C)C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435628334 271634030 /nfs/dbraw/zinc/63/40/30/271634030.db2.gz QJMZHHOIBMMAOS-HNNXBMFYSA-N 2 1 283.460 2.096 20 0 CEADMP O[C@@H](C[NH2+][C@H]1CCCc2sccc21)C[NH+]1CCCC1 ZINC000061362271 275052560 /nfs/dbraw/zinc/05/25/60/275052560.db2.gz UEHIGXFKZHUPLB-JSGCOSHPSA-N 2 1 280.437 2.172 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000261950811 275396543 /nfs/dbraw/zinc/39/65/43/275396543.db2.gz NYYFGKOEYLMPRT-ZBFHGGJFSA-N 2 1 266.429 2.267 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000261950811 275396546 /nfs/dbraw/zinc/39/65/46/275396546.db2.gz NYYFGKOEYLMPRT-ZBFHGGJFSA-N 2 1 266.429 2.267 20 0 CEADMP C1C[NH2+]C[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000334848117 275736791 /nfs/dbraw/zinc/73/67/91/275736791.db2.gz HYOQMAHPWLKODZ-CQSZACIVSA-N 2 1 252.402 2.067 20 0 CEADMP CCC[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000337304195 276040150 /nfs/dbraw/zinc/04/01/50/276040150.db2.gz RIAXOVPPSVTKCH-HRCADAONSA-N 2 1 267.461 2.133 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)C2CCCCC2)C1 ZINC000190639485 276074938 /nfs/dbraw/zinc/07/49/38/276074938.db2.gz XJLRKODHRABGJL-ZBFHGGJFSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000190639485 276074939 /nfs/dbraw/zinc/07/49/39/276074939.db2.gz XJLRKODHRABGJL-ZBFHGGJFSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC000190639485 276074940 /nfs/dbraw/zinc/07/49/40/276074940.db2.gz XJLRKODHRABGJL-ZBFHGGJFSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000355339547 276112795 /nfs/dbraw/zinc/11/27/95/276112795.db2.gz ZXSCIGBQJSURHS-KBPBESRZSA-N 2 1 279.428 2.341 20 0 CEADMP CC1(C)CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000346552071 276115518 /nfs/dbraw/zinc/11/55/18/276115518.db2.gz IBIOUMLYJKMOHU-HUUCEWRRSA-N 2 1 268.445 2.392 20 0 CEADMP CC1(C)C[N@H+](CCC[NH+]2CCCC2)[C@@H]1[C@H]1CCCO1 ZINC000377673533 276131858 /nfs/dbraw/zinc/13/18/58/276131858.db2.gz KHQGOOKORQSXHT-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP CC1(C)C[N@@H+](CCC[NH+]2CCCC2)[C@@H]1[C@H]1CCCO1 ZINC000377673533 276131860 /nfs/dbraw/zinc/13/18/60/276131860.db2.gz KHQGOOKORQSXHT-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP CCN1CCC([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000093515909 276151487 /nfs/dbraw/zinc/15/14/87/276151487.db2.gz PEMMOYDRFMIZDB-HOCLYGCPSA-N 2 1 267.461 2.371 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000070359243 276152137 /nfs/dbraw/zinc/15/21/37/276152137.db2.gz BMPRSDOXNFJUOQ-LSDHHAIUSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000159047518 276221737 /nfs/dbraw/zinc/22/17/37/276221737.db2.gz CNOLVHBXJDSLSW-CABCVRRESA-N 2 1 274.408 2.484 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000252696804 276221829 /nfs/dbraw/zinc/22/18/29/276221829.db2.gz CNOLVHBXJDSLSW-HUUCEWRRSA-N 2 1 274.408 2.484 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000412406886 276286344 /nfs/dbraw/zinc/28/63/44/276286344.db2.gz BXJZILNCYQSTNS-CABCVRRESA-N 2 1 283.460 2.094 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)CCC[C@@H]2C)CC1 ZINC000131013277 276359346 /nfs/dbraw/zinc/35/93/46/276359346.db2.gz STRXLGJENZUGSM-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000336807866 276360419 /nfs/dbraw/zinc/36/04/19/276360419.db2.gz AIIJZYUUMSKUFC-NWDGAFQWSA-N 2 1 280.334 2.170 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C1(C)C ZINC000344026015 276480267 /nfs/dbraw/zinc/48/02/67/276480267.db2.gz SSKWXQPJEMGROI-HZSPNIEDSA-N 2 1 254.418 2.120 20 0 CEADMP CC(=O)N1CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000040668825 276958206 /nfs/dbraw/zinc/95/82/06/276958206.db2.gz OSNYZBBULLINMY-RHSMWYFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000366401850 277044313 /nfs/dbraw/zinc/04/43/13/277044313.db2.gz OONAJROHVJCRFI-XHSDSOJGSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000366401850 277044314 /nfs/dbraw/zinc/04/43/14/277044314.db2.gz OONAJROHVJCRFI-XHSDSOJGSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000366401850 277044315 /nfs/dbraw/zinc/04/43/15/277044315.db2.gz OONAJROHVJCRFI-XHSDSOJGSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000366401850 277044316 /nfs/dbraw/zinc/04/43/16/277044316.db2.gz OONAJROHVJCRFI-XHSDSOJGSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCC(=O)CC3)CC[C@H]21 ZINC000334576450 277068285 /nfs/dbraw/zinc/06/82/85/277068285.db2.gz LALIZYKOKQLGTA-GDBMZVCRSA-N 2 1 264.413 2.162 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCC(=O)CC3)CC[C@H]21 ZINC000334576450 277068287 /nfs/dbraw/zinc/06/82/87/277068287.db2.gz LALIZYKOKQLGTA-GDBMZVCRSA-N 2 1 264.413 2.162 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCC(=O)CC3)CC[C@H]21 ZINC000334576450 277068288 /nfs/dbraw/zinc/06/82/88/277068288.db2.gz LALIZYKOKQLGTA-GDBMZVCRSA-N 2 1 264.413 2.162 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCC(=O)CC3)CC[C@H]21 ZINC000334576450 277068291 /nfs/dbraw/zinc/06/82/91/277068291.db2.gz LALIZYKOKQLGTA-GDBMZVCRSA-N 2 1 264.413 2.162 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC=CO3)CC[C@H]21 ZINC000248872445 277068726 /nfs/dbraw/zinc/06/87/26/277068726.db2.gz IEIKQIVUCKPCNS-QLFBSQMISA-N 2 1 250.386 2.095 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCC=CO3)CC[C@H]21 ZINC000248872445 277068727 /nfs/dbraw/zinc/06/87/27/277068727.db2.gz IEIKQIVUCKPCNS-QLFBSQMISA-N 2 1 250.386 2.095 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC=CO3)CC[C@H]21 ZINC000248872445 277068729 /nfs/dbraw/zinc/06/87/29/277068729.db2.gz IEIKQIVUCKPCNS-QLFBSQMISA-N 2 1 250.386 2.095 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3Cc4ccccc4[C@@H]3O)CC[C@@H]21 ZINC000166762200 277069279 /nfs/dbraw/zinc/06/92/79/277069279.db2.gz AQCSSOKTGJJBMN-SPUZQDLCSA-N 2 1 286.419 2.061 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3Cc4ccccc4[C@@H]3O)CC[C@@H]21 ZINC000166762200 277069280 /nfs/dbraw/zinc/06/92/80/277069280.db2.gz AQCSSOKTGJJBMN-SPUZQDLCSA-N 2 1 286.419 2.061 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3Cc4ccccc4[C@@H]3O)CC[C@@H]21 ZINC000166762200 277069281 /nfs/dbraw/zinc/06/92/81/277069281.db2.gz AQCSSOKTGJJBMN-SPUZQDLCSA-N 2 1 286.419 2.061 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3ccccc32)CC1(C)C ZINC000282282611 277106507 /nfs/dbraw/zinc/10/65/07/277106507.db2.gz LBSUKWUBGFYDEC-KRWDZBQOSA-N 2 1 287.451 2.290 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@@H+]([C@H]3C=CCCC3)C2)CC1 ZINC000182888241 277111819 /nfs/dbraw/zinc/11/18/19/277111819.db2.gz OGKSMMCSNXUSRG-IRXDYDNUSA-N 2 1 277.456 2.197 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@H+]([C@H]3C=CCCC3)C2)CC1 ZINC000182888241 277111821 /nfs/dbraw/zinc/11/18/21/277111821.db2.gz OGKSMMCSNXUSRG-IRXDYDNUSA-N 2 1 277.456 2.197 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOC2)[C@H]1c1ccccc1 ZINC000371519942 277162989 /nfs/dbraw/zinc/16/29/89/277162989.db2.gz OUGVFTGZVQMHIS-BRWVUGGUSA-N 2 1 274.408 2.448 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC000361382133 277198502 /nfs/dbraw/zinc/19/85/02/277198502.db2.gz SPNJLMHIIHVWCE-MWDXBVQZSA-N 2 1 256.393 2.284 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC000361382133 277198504 /nfs/dbraw/zinc/19/85/04/277198504.db2.gz SPNJLMHIIHVWCE-MWDXBVQZSA-N 2 1 256.393 2.284 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC000361382133 277198506 /nfs/dbraw/zinc/19/85/06/277198506.db2.gz SPNJLMHIIHVWCE-MWDXBVQZSA-N 2 1 256.393 2.284 20 0 CEADMP COC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000366430637 277247317 /nfs/dbraw/zinc/24/73/17/277247317.db2.gz JBKLKTNPCMJZOW-YMAMQOFZSA-N 2 1 252.402 2.018 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C(C)C ZINC000353521154 277332210 /nfs/dbraw/zinc/33/22/10/277332210.db2.gz PGDONSDTGRUWFB-KBUPBQIOSA-N 2 1 254.418 2.120 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163793911 277377138 /nfs/dbraw/zinc/37/71/38/277377138.db2.gz SYHCLXLXFAPRSX-CVEARBPZSA-N 2 1 297.487 2.044 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163793911 277377140 /nfs/dbraw/zinc/37/71/40/277377140.db2.gz SYHCLXLXFAPRSX-CVEARBPZSA-N 2 1 297.487 2.044 20 0 CEADMP CC(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000300411047 277386569 /nfs/dbraw/zinc/38/65/69/277386569.db2.gz KXQAFLZGQFNANS-ZBFHGGJFSA-N 2 1 267.461 2.037 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC23CCC(CC2)C3)CC1 ZINC000358380987 277514366 /nfs/dbraw/zinc/51/43/66/277514366.db2.gz XWVCCLBEXYTVIX-UHFFFAOYSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)CC[N@H+]1C ZINC000344123895 278027231 /nfs/dbraw/zinc/02/72/31/278027231.db2.gz FXVQTMZITAJBHM-OJLVUWQFSA-N 2 1 266.429 2.264 20 0 CEADMP COc1cccc2c1CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000336055030 278028702 /nfs/dbraw/zinc/02/87/02/278028702.db2.gz WHLGTNXFKLSILN-CYBMUJFWSA-N 2 1 260.381 2.053 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000336055030 278028703 /nfs/dbraw/zinc/02/87/03/278028703.db2.gz WHLGTNXFKLSILN-CYBMUJFWSA-N 2 1 260.381 2.053 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C2 ZINC000414928574 278035942 /nfs/dbraw/zinc/03/59/42/278035942.db2.gz MVQODXLTIJYHRP-INWMFGNUSA-N 2 1 274.408 2.140 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCOCC1 ZINC000375785304 278125839 /nfs/dbraw/zinc/12/58/39/278125839.db2.gz ZIJBDNWCPKQERQ-RRFJBIMHSA-N 2 1 298.496 2.361 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000091662282 278262537 /nfs/dbraw/zinc/26/25/37/278262537.db2.gz XYYRPBFKRXHIFP-NWANDNLSSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000091662282 278262538 /nfs/dbraw/zinc/26/25/38/278262538.db2.gz XYYRPBFKRXHIFP-NWANDNLSSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H](C[S@@](C)=O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000346362893 278296108 /nfs/dbraw/zinc/29/61/08/278296108.db2.gz LMXYERCTBLQMBV-ORAYPTAESA-N 2 1 286.485 2.140 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)C1C[NH2+]C1 ZINC000335565779 278369854 /nfs/dbraw/zinc/36/98/54/278369854.db2.gz SGSLAMKVIYVKJL-QMTHXVAHSA-N 2 1 264.344 2.237 20 0 CEADMP CC(C)(C)OC(=O)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339074449 278373220 /nfs/dbraw/zinc/37/32/20/278373220.db2.gz LPFUIDNTMJCCFB-UONOGXRCSA-N 2 1 282.428 2.325 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC[NH+]1CCCCCC1 ZINC000040767808 288106462 /nfs/dbraw/zinc/10/64/62/288106462.db2.gz WHFQBRVMELMQTC-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)CC(C)(C)C ZINC000178432133 288107256 /nfs/dbraw/zinc/10/72/56/288107256.db2.gz ISAXNHVLMYVBTL-AAVRWANBSA-N 2 1 256.434 2.102 20 0 CEADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000192438661 279145094 /nfs/dbraw/zinc/14/50/94/279145094.db2.gz JBDNUDBEPCVSQF-HSBZDZAISA-N 2 1 270.417 2.038 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000347352781 279334862 /nfs/dbraw/zinc/33/48/62/279334862.db2.gz UUWQCXNEQFSHPQ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCC[C@@H]2CCCCO2)CC[N@H+]1C ZINC000183989002 280010133 /nfs/dbraw/zinc/01/01/33/280010133.db2.gz WAWDVAYIQZTVPH-ZNMIVQPWSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)CCO1 ZINC000415068238 280021122 /nfs/dbraw/zinc/02/11/22/280021122.db2.gz QVIHJKRHBIRWTC-KKUMJFAQSA-N 2 1 254.418 2.297 20 0 CEADMP CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000135278558 280041215 /nfs/dbraw/zinc/04/12/15/280041215.db2.gz STBHNSUAAJYUID-ZIAGYGMSSA-N 2 1 297.443 2.118 20 0 CEADMP CC[C@]1(C)C[N@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000135745754 280054110 /nfs/dbraw/zinc/05/41/10/280054110.db2.gz PKCSGANDHYYXTI-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP CC[C@]1(C)C[N@@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000135745754 280054114 /nfs/dbraw/zinc/05/41/14/280054114.db2.gz PKCSGANDHYYXTI-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP CC(C)[C@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)[NH+]1CCCCC1 ZINC000356909712 280150383 /nfs/dbraw/zinc/15/03/83/280150383.db2.gz VWFIKSHPRLYPGC-BZUAXINKSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)[NH+]1CCCCC1 ZINC000356909712 280150386 /nfs/dbraw/zinc/15/03/86/280150386.db2.gz VWFIKSHPRLYPGC-BZUAXINKSA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000245626530 280253804 /nfs/dbraw/zinc/25/38/04/280253804.db2.gz YPBDOSSULGNSHQ-RMEBNNNOSA-N 2 1 254.418 2.262 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CCO)CC(C)C)[C@@H](C)C1 ZINC000246865186 280312701 /nfs/dbraw/zinc/31/27/01/280312701.db2.gz CRNQCAJLAHONJA-XHSDSOJGSA-N 2 1 270.461 2.351 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H](C)[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000247180891 280322554 /nfs/dbraw/zinc/32/25/54/280322554.db2.gz VFVSPFUHPYAQSW-QZWWFDLISA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000247180891 280322558 /nfs/dbraw/zinc/32/25/58/280322558.db2.gz VFVSPFUHPYAQSW-QZWWFDLISA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000247180891 280322562 /nfs/dbraw/zinc/32/25/62/280322562.db2.gz VFVSPFUHPYAQSW-QZWWFDLISA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccc(C)cc2)[C@@H](C)C1 ZINC000248886027 280371957 /nfs/dbraw/zinc/37/19/57/280371957.db2.gz XUAHGAJWRVBUTH-SZMVWBNQSA-N 2 1 290.451 2.218 20 0 CEADMP C[C@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000249105385 280384709 /nfs/dbraw/zinc/38/47/09/280384709.db2.gz PEUZHFYJIYYXLD-MNFFZHCASA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000249105385 280384710 /nfs/dbraw/zinc/38/47/10/280384710.db2.gz PEUZHFYJIYYXLD-MNFFZHCASA-N 2 1 252.402 2.016 20 0 CEADMP CCCOc1ncccc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422973649 280981280 /nfs/dbraw/zinc/98/12/80/280981280.db2.gz PENZGSXIPXXKCX-DZGCQCFKSA-N 2 1 277.412 2.348 20 0 CEADMP C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCCCC1 ZINC000423031158 281001877 /nfs/dbraw/zinc/00/18/77/281001877.db2.gz KQKSOGDZAWYXDN-JZWPEALZSA-N 3 1 265.445 2.124 20 0 CEADMP C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCC[NH2+]1 ZINC000423050801 281010908 /nfs/dbraw/zinc/01/09/08/281010908.db2.gz ZJFSSYCTTPVPNN-QBYUYEEZSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000423058973 281014147 /nfs/dbraw/zinc/01/41/47/281014147.db2.gz DOJMHMQPKBKDLB-MAUKXSAKSA-N 2 1 287.451 2.239 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2[NH2+]CCCC2(C)C)[C@H]2CCC[C@H]21 ZINC000423401464 281028247 /nfs/dbraw/zinc/02/82/47/281028247.db2.gz XQICITRWGJJNAT-QXSJWSMHSA-N 2 1 279.472 2.227 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000423407735 281032484 /nfs/dbraw/zinc/03/24/84/281032484.db2.gz NDTGITQXONBUIR-HIFRSBDPSA-N 2 1 295.471 2.131 20 0 CEADMP COC[C@]1(C[NH2+][C@@H](c2ccccc2)C2CC2)CCC[NH2+]1 ZINC000423415156 281034826 /nfs/dbraw/zinc/03/48/26/281034826.db2.gz OSTHNYHEAISRHT-DLBZAZTESA-N 2 1 274.408 2.496 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2[NH2+]CCc3ccccc32)C[N@H+]1C1CC1 ZINC000423439787 281043177 /nfs/dbraw/zinc/04/31/77/281043177.db2.gz VLNAAZMRQDBLAS-DDUZABMNSA-N 2 1 285.435 2.088 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423465271 281048729 /nfs/dbraw/zinc/04/87/29/281048729.db2.gz HMNMRXCQZAVFMY-UICACZKSSA-N 3 1 293.430 2.234 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000423495780 281055476 /nfs/dbraw/zinc/05/54/76/281055476.db2.gz CQABOQKXCKYWJO-XKQJLSEDSA-N 2 1 275.440 2.179 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc2c(s1)CCC2 ZINC000423496075 281055499 /nfs/dbraw/zinc/05/54/99/281055499.db2.gz WBEDTUQIVCBTKY-DGCLKSJQSA-N 2 1 280.437 2.266 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(C)cc1 ZINC000423530221 281063711 /nfs/dbraw/zinc/06/37/11/281063711.db2.gz YLYAWPDHSIQQIS-HZPDHXFCSA-N 2 1 262.397 2.414 20 0 CEADMP CC[C@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000181742348 281069894 /nfs/dbraw/zinc/06/98/94/281069894.db2.gz ALFBLICRXNPLIS-GOEBONIOSA-N 2 1 268.445 2.392 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423722371 281082890 /nfs/dbraw/zinc/08/28/90/281082890.db2.gz CYNQPKGQBAFGHK-FZKCQIBNSA-N 2 1 295.471 2.368 20 0 CEADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1O ZINC000424379930 281154176 /nfs/dbraw/zinc/15/41/76/281154176.db2.gz WDZUKSGDLHTHTK-RAIGVLPGSA-N 2 1 264.369 2.321 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc(OC)c1OC ZINC000424379367 281154205 /nfs/dbraw/zinc/15/42/05/281154205.db2.gz ONCLUEZIOFQLBM-CHWSQXEVSA-N 2 1 294.395 2.072 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)c1 ZINC000424420236 281158122 /nfs/dbraw/zinc/15/81/22/281158122.db2.gz UZZVMMBPRPRPQF-OAHLLOKOSA-N 2 1 290.411 2.012 20 0 CEADMP Cc1ccc2[nH+]ccc(N3CC[N@@H+]4CCOC[C@H]4C3)c2c1 ZINC000354568197 281169557 /nfs/dbraw/zinc/16/95/57/281169557.db2.gz NJRGISJYUQETSD-CQSZACIVSA-N 2 1 283.375 2.064 20 0 CEADMP Cc1ccc2[nH+]ccc(N3CC[N@H+]4CCOC[C@H]4C3)c2c1 ZINC000354568197 281169560 /nfs/dbraw/zinc/16/95/60/281169560.db2.gz NJRGISJYUQETSD-CQSZACIVSA-N 2 1 283.375 2.064 20 0 CEADMP CC[NH+](CC)CCCN1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429041781 281219785 /nfs/dbraw/zinc/21/97/85/281219785.db2.gz QFUIUIUPWYQKLM-YESZJQIVSA-N 2 1 281.488 2.380 20 0 CEADMP CC[NH2+]CCNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000429100173 281222426 /nfs/dbraw/zinc/22/24/26/281222426.db2.gz SSLOGCHKJDOFSP-UHFFFAOYSA-N 2 1 289.423 2.010 20 0 CEADMP COC(=O)[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@H]1C(C)C ZINC000429369430 281237451 /nfs/dbraw/zinc/23/74/51/281237451.db2.gz YIHWJLYQPQUCLJ-HOTGVXAUSA-N 2 1 296.455 2.382 20 0 CEADMP Cc1cccc(OCC[N@H+](C)CC2CC[NH2+]CC2)c1 ZINC000094024633 281249546 /nfs/dbraw/zinc/24/95/46/281249546.db2.gz ORQWVBIFTBILDB-UHFFFAOYSA-N 2 1 262.397 2.305 20 0 CEADMP Cc1ncsc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432354337 281324423 /nfs/dbraw/zinc/32/44/23/281324423.db2.gz WBNDSQQXCMSPRF-LBPRGKRZSA-N 2 1 283.441 2.042 20 0 CEADMP Cc1ncsc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432354337 281324426 /nfs/dbraw/zinc/32/44/26/281324426.db2.gz WBNDSQQXCMSPRF-LBPRGKRZSA-N 2 1 283.441 2.042 20 0 CEADMP COC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000433006248 281359063 /nfs/dbraw/zinc/35/90/63/281359063.db2.gz PCHGIJPSWFQRTN-CABCVRRESA-N 2 1 284.444 2.033 20 0 CEADMP CC(C)[C@H](C[NH3+])C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000433169186 281371195 /nfs/dbraw/zinc/37/11/95/281371195.db2.gz QBMQHHPQSKTOKJ-XHSDSOJGSA-N 2 1 297.487 2.092 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000302164330 288361111 /nfs/dbraw/zinc/36/11/11/288361111.db2.gz NKXQJTRCJFPCEX-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+](CCO)C1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449024728 282072970 /nfs/dbraw/zinc/07/29/70/282072970.db2.gz DGTMSNBTQHTTHE-UHFFFAOYSA-N 2 1 288.391 2.321 20 0 CEADMP C[N@@H+](CCO)C1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449024728 282072973 /nfs/dbraw/zinc/07/29/73/282072973.db2.gz DGTMSNBTQHTTHE-UHFFFAOYSA-N 2 1 288.391 2.321 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000334388936 289066361 /nfs/dbraw/zinc/06/63/61/289066361.db2.gz REIFWVNAVCFDGT-GRAKBVBRSA-N 3 1 265.445 2.076 20 0 CEADMP C[C@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1C ZINC000156578549 289198491 /nfs/dbraw/zinc/19/84/91/289198491.db2.gz GLUFWAWWZJRJKK-ZFWWWQNUSA-N 2 1 267.461 2.322 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCC(F)(F)F ZINC000371291961 289331753 /nfs/dbraw/zinc/33/17/53/289331753.db2.gz AJRSOGXGZVOOGL-GRYCIOLGSA-N 2 1 280.334 2.122 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC(F)(F)F ZINC000371291961 289331757 /nfs/dbraw/zinc/33/17/57/289331757.db2.gz AJRSOGXGZVOOGL-GRYCIOLGSA-N 2 1 280.334 2.122 20 0 CEADMP Cc1cc([C@@H]2CCC[N@H+]2CCc2c[nH+]cn2C)on1 ZINC000459307870 290111968 /nfs/dbraw/zinc/11/19/68/290111968.db2.gz SUUBFOADYZFOQM-ZDUSSCGKSA-N 2 1 260.341 2.096 20 0 CEADMP Cc1cc([C@@H]2CCC[N@@H+]2CCc2c[nH+]cn2C)on1 ZINC000459307870 290111971 /nfs/dbraw/zinc/11/19/71/290111971.db2.gz SUUBFOADYZFOQM-ZDUSSCGKSA-N 2 1 260.341 2.096 20 0 CEADMP CO[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459462805 290155922 /nfs/dbraw/zinc/15/59/22/290155922.db2.gz KWRKUSWSACPCKP-WFASDCNBSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1ccn2c(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)cnc2c1 ZINC000459721106 290216730 /nfs/dbraw/zinc/21/67/30/290216730.db2.gz AQPBEXIVYAAPHQ-HNNXBMFYSA-N 2 1 286.423 2.464 20 0 CEADMP CCc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000459724315 290217417 /nfs/dbraw/zinc/21/74/17/290217417.db2.gz AMOSHLTXOMHONO-CQSZACIVSA-N 2 1 261.413 2.466 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000459730504 290220060 /nfs/dbraw/zinc/22/00/60/290220060.db2.gz KKBUONWYXBPCCJ-MRXNPFEDSA-N 2 1 299.422 2.089 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000353533352 290220162 /nfs/dbraw/zinc/22/01/62/290220162.db2.gz RFDTVAFENJPBFL-CBBWQLFWSA-N 2 1 268.445 2.246 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000459741871 290223527 /nfs/dbraw/zinc/22/35/27/290223527.db2.gz VLDOLFSTFPVYHE-CQSZACIVSA-N 2 1 290.407 2.279 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459744868 290224764 /nfs/dbraw/zinc/22/47/64/290224764.db2.gz XZKGCJJWGLYCRG-OAHLLOKOSA-N 2 1 286.423 2.464 20 0 CEADMP CN(C)Cc1cnc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000459783384 290238619 /nfs/dbraw/zinc/23/86/19/290238619.db2.gz NBIOLKSTZXFSFP-ZDUSSCGKSA-N 2 1 296.484 2.026 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459805665 290246169 /nfs/dbraw/zinc/24/61/69/290246169.db2.gz LXUIKPXEZPNUQC-ZDUSSCGKSA-N 2 1 295.427 2.491 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459805665 290246172 /nfs/dbraw/zinc/24/61/72/290246172.db2.gz LXUIKPXEZPNUQC-ZDUSSCGKSA-N 2 1 295.427 2.491 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000469855885 290272916 /nfs/dbraw/zinc/27/29/16/290272916.db2.gz KWERREXJGGBFAU-HZSPNIEDSA-N 2 1 262.397 2.468 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000469855888 290273141 /nfs/dbraw/zinc/27/31/41/290273141.db2.gz KWERREXJGGBFAU-RDBSUJKOSA-N 2 1 262.397 2.468 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000479490735 290308318 /nfs/dbraw/zinc/30/83/18/290308318.db2.gz UMEJNDDNGZWIEH-APIJFGDWSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1CCSC1 ZINC000486966281 290324211 /nfs/dbraw/zinc/32/42/11/290324211.db2.gz FUJGSHDPNXDYFN-MGPQQGTHSA-N 2 1 256.459 2.450 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1CCSC1 ZINC000486966281 290324213 /nfs/dbraw/zinc/32/42/13/290324213.db2.gz FUJGSHDPNXDYFN-MGPQQGTHSA-N 2 1 256.459 2.450 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@H]1CC1(C)C ZINC000487272297 290339472 /nfs/dbraw/zinc/33/94/72/290339472.db2.gz LZBBRCHVNCVUAT-CHWSQXEVSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000487274368 290339411 /nfs/dbraw/zinc/33/94/11/290339411.db2.gz GSKDWVHSGQNQQF-CQSZACIVSA-N 2 1 286.485 2.219 20 0 CEADMP Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093461844 293932557 /nfs/dbraw/zinc/93/25/57/293932557.db2.gz CMKJFXIUUHQNIK-VHDGCEQUSA-N 2 1 263.385 2.302 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncccc3Cl)C[C@H]21 ZINC000530216454 298052853 /nfs/dbraw/zinc/05/28/53/298052853.db2.gz BOCNTPNWNIACHZ-NQBHXWOUSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncccc3Cl)C[C@H]21 ZINC000530216454 298052854 /nfs/dbraw/zinc/05/28/54/298052854.db2.gz BOCNTPNWNIACHZ-NQBHXWOUSA-N 2 1 265.788 2.294 20 0 CEADMP CC[C@@H]([NH2+]CCc1ccc(OC)nc1)[C@@H]1CCCC[NH2+]1 ZINC000530218099 298053881 /nfs/dbraw/zinc/05/38/81/298053881.db2.gz FBNAZDLBCQYINO-CABCVRRESA-N 2 1 277.412 2.143 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+]CC34CC(C3)CO4)CC[NH2+]2)cc1 ZINC000530223379 298057147 /nfs/dbraw/zinc/05/71/47/298057147.db2.gz UTRPLGVYHSRKJZ-YTWPKEEVSA-N 2 1 272.392 2.248 20 0 CEADMP CC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000532225865 298136656 /nfs/dbraw/zinc/13/66/56/298136656.db2.gz IHHCPOJUDCBXMS-PMPSAXMXSA-N 2 1 268.445 2.392 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CCc2c1cccc2Cl)C[NH+]1CCCC1 ZINC000532212293 298136217 /nfs/dbraw/zinc/13/62/17/298136217.db2.gz GBSZNHSMCYTDQH-MLGOLLRUSA-N 2 1 294.826 2.374 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000545983119 298342488 /nfs/dbraw/zinc/34/24/88/298342488.db2.gz RSEZBSXCWQCRAF-RBSFLKMASA-N 2 1 277.412 2.148 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000335069965 300220299 /nfs/dbraw/zinc/22/02/99/300220299.db2.gz OFQUKYBZEKVSRP-NGHVJFNESA-N 2 1 291.483 2.070 20 0 CEADMP C[C@H]1C[NH+](CCOCC[N@H+]2C[C@H](C)[C@H](C)C2)C[C@@H]1C ZINC000343748370 300263585 /nfs/dbraw/zinc/26/35/85/300263585.db2.gz WYGPLNHFRXOLQJ-YHUYYLMFSA-N 2 1 268.445 2.179 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000527944976 313218153 /nfs/dbraw/zinc/21/81/53/313218153.db2.gz DXVRVHATVQXQGR-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527944976 313218157 /nfs/dbraw/zinc/21/81/57/313218157.db2.gz DXVRVHATVQXQGR-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527944976 313218161 /nfs/dbraw/zinc/21/81/61/313218161.db2.gz DXVRVHATVQXQGR-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1COC1 ZINC000528025882 313227508 /nfs/dbraw/zinc/22/75/08/313227508.db2.gz PDJGHDBNEOEAII-YOEHRIQHSA-N 2 1 274.408 2.133 20 0 CEADMP C[C@]1(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)CC[NH2+]C1 ZINC000530247068 313289098 /nfs/dbraw/zinc/28/90/98/313289098.db2.gz OBDCMOSBQHJSRL-SFHVURJKSA-N 2 1 298.434 2.290 20 0 CEADMP CC(C)[C@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)[NH+](C)C ZINC000531601038 313329212 /nfs/dbraw/zinc/32/92/12/313329212.db2.gz QTDZNYAIICBGFI-MRXNPFEDSA-N 2 1 297.487 2.151 20 0 CEADMP CCc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000563209443 313723339 /nfs/dbraw/zinc/72/33/39/313723339.db2.gz AYLNIEJMUHZVHS-SFHVURJKSA-N 2 1 290.451 2.431 20 0 CEADMP C[C@H](C[NH2+]Cc1ccc2c(n1)CCC2)C[NH+]1CCCC1 ZINC000569669889 314006752 /nfs/dbraw/zinc/00/67/52/314006752.db2.gz HLZSIPNROICJSE-CQSZACIVSA-N 2 1 273.424 2.392 20 0 CEADMP CC(C)(C[NH2+]C[C@@](C)(O)C(F)(F)F)C[NH+]1CCCC1 ZINC000570564895 314046205 /nfs/dbraw/zinc/04/62/05/314046205.db2.gz MKGRLTFJTOJXPZ-GFCCVEGCSA-N 2 1 282.350 2.011 20 0 CEADMP CC(C)n1nccc1CN(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000571483642 314092548 /nfs/dbraw/zinc/09/25/48/314092548.db2.gz IEBUWPUMDDMNDH-HIFRSBDPSA-N 2 1 264.417 2.236 20 0 CEADMP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)Sc1ccccc1 ZINC000576576379 314289341 /nfs/dbraw/zinc/28/93/41/314289341.db2.gz ALHYPLFYOIXULS-HIFRSBDPSA-N 2 1 294.464 2.212 20 0 CEADMP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)Sc1ccccc1 ZINC000576576379 314289345 /nfs/dbraw/zinc/28/93/45/314289345.db2.gz ALHYPLFYOIXULS-HIFRSBDPSA-N 2 1 294.464 2.212 20 0 CEADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000576685086 314300605 /nfs/dbraw/zinc/30/06/05/314300605.db2.gz UXNOYDQCLUEKKS-IWCQGFGOSA-N 3 1 273.424 2.197 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C[C@H](C)O1 ZINC000576934873 314324073 /nfs/dbraw/zinc/32/40/73/314324073.db2.gz PMLJAOCQNYUAFR-MUJYYYPQSA-N 2 1 296.455 2.177 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000576988276 314330161 /nfs/dbraw/zinc/33/01/61/314330161.db2.gz QDSBZLYLEBRMKD-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H](C)O ZINC000386716164 321873620 /nfs/dbraw/zinc/87/36/20/321873620.db2.gz QUQCNXGPDISYCD-YOEHRIQHSA-N 2 1 276.424 2.400 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389938885 321893138 /nfs/dbraw/zinc/89/31/38/321893138.db2.gz OVFBFZGNCPRMMM-DOTOQJQBSA-N 2 1 284.407 2.148 20 0 CEADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000580773912 322343265 /nfs/dbraw/zinc/34/32/65/322343265.db2.gz JAAHXUMYMMTJOG-HZPDHXFCSA-N 2 1 279.472 2.182 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000580898084 322353231 /nfs/dbraw/zinc/35/32/31/322353231.db2.gz VJDNMFNRHBUCQI-XIRDDKMYSA-N 2 1 276.424 2.082 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C(C)C ZINC000581251343 322381321 /nfs/dbraw/zinc/38/13/21/322381321.db2.gz OFRCKMQZDKPNGN-RDJZCZTQSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C(C)C ZINC000581251343 322381322 /nfs/dbraw/zinc/38/13/22/322381322.db2.gz OFRCKMQZDKPNGN-RDJZCZTQSA-N 2 1 295.471 2.096 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c(F)c1 ZINC000581314327 322386303 /nfs/dbraw/zinc/38/63/03/322386303.db2.gz MWTWNDQQRUBINO-AWEZNQCLSA-N 2 1 266.360 2.312 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCC[C@H]2O)C[C@H]1c1ccccc1 ZINC000392845711 329040551 /nfs/dbraw/zinc/04/05/51/329040551.db2.gz XHZSOHNERXXWEU-ZJPYXAASSA-N 2 1 288.435 2.212 20 0 CEADMP CSc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)ccn1 ZINC000357841347 534169304 /nfs/dbraw/zinc/16/93/04/534169304.db2.gz PJKPJGJPTDRITB-YPMHNXCESA-N 2 1 265.426 2.233 20 0 CEADMP CSc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)ccn1 ZINC000357841347 534169312 /nfs/dbraw/zinc/16/93/12/534169312.db2.gz PJKPJGJPTDRITB-YPMHNXCESA-N 2 1 265.426 2.233 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000365190382 520605220 /nfs/dbraw/zinc/60/52/20/520605220.db2.gz GTVYUGNCKXXRQN-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000050953276 521000832 /nfs/dbraw/zinc/00/08/32/521000832.db2.gz WAJLZLUOVVOFQN-HNNXBMFYSA-N 2 1 254.418 2.267 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000163867926 521174141 /nfs/dbraw/zinc/17/41/41/521174141.db2.gz GEWNFZWMIGGUQK-HUUCEWRRSA-N 2 1 292.423 2.381 20 0 CEADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000366349003 521837085 /nfs/dbraw/zinc/83/70/85/521837085.db2.gz UDLBMSICECZKST-SQWLQELKSA-N 2 1 295.471 2.273 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000157484465 522039156 /nfs/dbraw/zinc/03/91/56/522039156.db2.gz DLPKFMZYXCTQRF-HZPDHXFCSA-N 2 1 288.391 2.190 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000157484465 522039165 /nfs/dbraw/zinc/03/91/65/522039165.db2.gz DLPKFMZYXCTQRF-HZPDHXFCSA-N 2 1 288.391 2.190 20 0 CEADMP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358149289 524860431 /nfs/dbraw/zinc/86/04/31/524860431.db2.gz YSYACDAZNATGBC-OAHLLOKOSA-N 2 1 282.815 2.113 20 0 CEADMP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358149289 524860446 /nfs/dbraw/zinc/86/04/46/524860446.db2.gz YSYACDAZNATGBC-OAHLLOKOSA-N 2 1 282.815 2.113 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCOC2CCCCC2)CC[N@H+]1C ZINC000156148937 524924453 /nfs/dbraw/zinc/92/44/53/524924453.db2.gz HYVYQOMEJQMWQH-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000157701043 525444931 /nfs/dbraw/zinc/44/49/31/525444931.db2.gz LOFKQHDQVFWKFA-OVYGPGRDSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCN1C ZINC000157701043 525444932 /nfs/dbraw/zinc/44/49/32/525444932.db2.gz LOFKQHDQVFWKFA-OVYGPGRDSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000157701043 525444934 /nfs/dbraw/zinc/44/49/34/525444934.db2.gz LOFKQHDQVFWKFA-OVYGPGRDSA-N 3 1 279.472 2.370 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000157701043 525444950 /nfs/dbraw/zinc/44/49/50/525444950.db2.gz LOFKQHDQVFWKFA-OVYGPGRDSA-N 3 1 279.472 2.370 20 0 CEADMP CC(C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000414342247 527710714 /nfs/dbraw/zinc/71/07/14/527710714.db2.gz MCSGFCFCRTUSTC-AWEZNQCLSA-N 2 1 295.471 2.286 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000357845857 527932589 /nfs/dbraw/zinc/93/25/89/527932589.db2.gz HLLAXDCWOLWRTI-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1C[C@@H](C)[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000357845857 527932592 /nfs/dbraw/zinc/93/25/92/527932592.db2.gz HLLAXDCWOLWRTI-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CCN(c2cccc(C)[nH+]2)C1 ZINC000354844344 528148522 /nfs/dbraw/zinc/14/85/22/528148522.db2.gz WFWZNCCAKSWUGC-HNNXBMFYSA-N 2 1 277.412 2.327 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000414795533 528948696 /nfs/dbraw/zinc/94/86/96/528948696.db2.gz ASFVMAGKJJNIJC-UHFFFAOYSA-N 2 1 263.385 2.252 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000356096095 529013158 /nfs/dbraw/zinc/01/31/58/529013158.db2.gz RNENGUGLEPJODF-KBPBESRZSA-N 2 1 283.460 2.144 20 0 CEADMP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H](O)C(C)C ZINC000414518438 529190362 /nfs/dbraw/zinc/19/03/62/529190362.db2.gz BFMMOSVBXGQHAX-TZMCWYRMSA-N 2 1 285.457 2.090 20 0 CEADMP c1nc(C2CC2)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000335352611 574469521 /nfs/dbraw/zinc/46/95/21/574469521.db2.gz FHEFVVQRNYKHKY-NEPJUHHUSA-N 2 1 263.410 2.062 20 0 CEADMP c1nc(C2CC2)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000335352611 574469522 /nfs/dbraw/zinc/46/95/22/574469522.db2.gz FHEFVVQRNYKHKY-NEPJUHHUSA-N 2 1 263.410 2.062 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000734058628 574699358 /nfs/dbraw/zinc/69/93/58/574699358.db2.gz VJGRCFKQGXHPBY-SJORKVTESA-N 2 1 278.440 2.265 20 0 CEADMP Cc1ccccc1[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000741796032 574998932 /nfs/dbraw/zinc/99/89/32/574998932.db2.gz QWJBLKLSFZAEQN-AEFFLSMTSA-N 2 1 288.435 2.446 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CC[NH+](C)C1 ZINC000747100029 575167220 /nfs/dbraw/zinc/16/72/20/575167220.db2.gz OCUCLWUCRXSLIB-KRWDZBQOSA-N 2 1 289.467 2.438 20 0 CEADMP C[NH+](Cc1ccccc1)CC(C)(C)CN[C@H]1CC[N@H+](C)C1 ZINC000747100029 575167221 /nfs/dbraw/zinc/16/72/21/575167221.db2.gz OCUCLWUCRXSLIB-KRWDZBQOSA-N 2 1 289.467 2.438 20 0 CEADMP C[NH+](Cc1ccccc1)CC(C)(C)CN[C@H]1CC[N@@H+](C)C1 ZINC000747100029 575167222 /nfs/dbraw/zinc/16/72/22/575167222.db2.gz OCUCLWUCRXSLIB-KRWDZBQOSA-N 2 1 289.467 2.438 20 0 CEADMP CN1CC[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000747100029 575167223 /nfs/dbraw/zinc/16/72/23/575167223.db2.gz OCUCLWUCRXSLIB-KRWDZBQOSA-N 2 1 289.467 2.438 20 0 CEADMP CN1CC[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000747100029 575167224 /nfs/dbraw/zinc/16/72/24/575167224.db2.gz OCUCLWUCRXSLIB-KRWDZBQOSA-N 2 1 289.467 2.438 20 0 CEADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000751776983 575297687 /nfs/dbraw/zinc/29/76/87/575297687.db2.gz OUVZVOQHZQHTPA-NJAFHUGGSA-N 2 1 288.435 2.321 20 0 CEADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000751776983 575297688 /nfs/dbraw/zinc/29/76/88/575297688.db2.gz OUVZVOQHZQHTPA-NJAFHUGGSA-N 2 1 288.435 2.321 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](C(C)C)CC1 ZINC000981525405 614091761 /nfs/dbraw/zinc/09/17/61/614091761.db2.gz NCVQPKAZTOXVEC-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000981525405 614091763 /nfs/dbraw/zinc/09/17/63/614091763.db2.gz NCVQPKAZTOXVEC-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000981525405 614091765 /nfs/dbraw/zinc/09/17/65/614091765.db2.gz NCVQPKAZTOXVEC-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970177361 614149054 /nfs/dbraw/zinc/14/90/54/614149054.db2.gz URQVJRFKGUTWDI-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000960819965 614261343 /nfs/dbraw/zinc/26/13/43/614261343.db2.gz BUAZSBLHKAEPOW-JYJNAYRXSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000960819965 614261344 /nfs/dbraw/zinc/26/13/44/614261344.db2.gz BUAZSBLHKAEPOW-JYJNAYRXSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000960819965 614261345 /nfs/dbraw/zinc/26/13/45/614261345.db2.gz BUAZSBLHKAEPOW-JYJNAYRXSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948743059 614336153 /nfs/dbraw/zinc/33/61/53/614336153.db2.gz OFWKDZDSEZTGPE-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707883 614369231 /nfs/dbraw/zinc/36/92/31/614369231.db2.gz MUMXUIGBJHYBQX-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000952401764 614592801 /nfs/dbraw/zinc/59/28/01/614592801.db2.gz GOPXXDGQTJJIJK-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000952401764 614592805 /nfs/dbraw/zinc/59/28/05/614592805.db2.gz GOPXXDGQTJJIJK-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000981332392 614636547 /nfs/dbraw/zinc/63/65/47/614636547.db2.gz WOKQRBLPGZWBKA-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981332392 614636549 /nfs/dbraw/zinc/63/65/49/614636549.db2.gz WOKQRBLPGZWBKA-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981332392 614636551 /nfs/dbraw/zinc/63/65/51/614636551.db2.gz WOKQRBLPGZWBKA-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+](C)C(C)C)C2)C1 ZINC000972155911 614649332 /nfs/dbraw/zinc/64/93/32/614649332.db2.gz IFJPMUCKRVMQOA-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@@H]([N@H+](C)C(C)C)C2)C1 ZINC000972155911 614649334 /nfs/dbraw/zinc/64/93/34/614649334.db2.gz IFJPMUCKRVMQOA-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)C(C)C)C2)C1 ZINC000972155911 614649336 /nfs/dbraw/zinc/64/93/36/614649336.db2.gz IFJPMUCKRVMQOA-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947774559 614710716 /nfs/dbraw/zinc/71/07/16/614710716.db2.gz BKXGCSONKZOZPU-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC000960684681 614854330 /nfs/dbraw/zinc/85/43/30/614854330.db2.gz SFIRZAAUIOHJBF-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC000960684681 614854332 /nfs/dbraw/zinc/85/43/32/614854332.db2.gz SFIRZAAUIOHJBF-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC000960684681 614854333 /nfs/dbraw/zinc/85/43/33/614854333.db2.gz SFIRZAAUIOHJBF-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC000961030771 614873234 /nfs/dbraw/zinc/87/32/34/614873234.db2.gz FTRGQAWXRDPVIJ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000981143152 614983813 /nfs/dbraw/zinc/98/38/13/614983813.db2.gz DBGXFMDYYXUAQJ-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981143152 614983815 /nfs/dbraw/zinc/98/38/15/614983815.db2.gz DBGXFMDYYXUAQJ-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981143152 614983816 /nfs/dbraw/zinc/98/38/16/614983816.db2.gz DBGXFMDYYXUAQJ-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000981824962 614985273 /nfs/dbraw/zinc/98/52/73/614985273.db2.gz DATGRXHDDJFGHJ-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000981824962 614985274 /nfs/dbraw/zinc/98/52/74/614985274.db2.gz DATGRXHDDJFGHJ-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000981824962 614985275 /nfs/dbraw/zinc/98/52/75/614985275.db2.gz DATGRXHDDJFGHJ-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC000960021958 615088403 /nfs/dbraw/zinc/08/84/03/615088403.db2.gz HIEWTPMCDSWLTH-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364173 615136143 /nfs/dbraw/zinc/13/61/43/615136143.db2.gz CBIQSDHSSXPVOJ-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364173 615136145 /nfs/dbraw/zinc/13/61/45/615136145.db2.gz CBIQSDHSSXPVOJ-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948364173 615136146 /nfs/dbraw/zinc/13/61/46/615136146.db2.gz CBIQSDHSSXPVOJ-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC)CC[N@H+]1C ZINC000968866330 615584997 /nfs/dbraw/zinc/58/49/97/615584997.db2.gz DWKFCSWIXJEQKA-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC)CC[NH+]1C ZINC000968866330 615584998 /nfs/dbraw/zinc/58/49/98/615584998.db2.gz DWKFCSWIXJEQKA-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC)CC[NH+]1C ZINC000968866330 615584999 /nfs/dbraw/zinc/58/49/99/615584999.db2.gz DWKFCSWIXJEQKA-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C)C[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000981456564 615653722 /nfs/dbraw/zinc/65/37/22/615653722.db2.gz CUWOOPUELSZDIA-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCN(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309723739 625294008 /nfs/dbraw/zinc/29/40/08/625294008.db2.gz OUQNWXCDRARZNQ-RYQLBKOJSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000309723739 625294034 /nfs/dbraw/zinc/29/40/34/625294034.db2.gz OUQNWXCDRARZNQ-RYQLBKOJSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H](N[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309723739 625294048 /nfs/dbraw/zinc/29/40/48/625294048.db2.gz OUQNWXCDRARZNQ-RYQLBKOJSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H](N[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309723739 625294055 /nfs/dbraw/zinc/29/40/55/625294055.db2.gz OUQNWXCDRARZNQ-RYQLBKOJSA-N 2 1 287.451 2.191 20 0 CEADMP C[NH+](C)C(C)(C)C[NH2+]C[C@H]1C[C@]1(C)Br ZINC000892430864 625392461 /nfs/dbraw/zinc/39/24/61/625392461.db2.gz LVADAJZWDLLKND-KOLCDFICSA-N 2 1 263.223 2.090 20 0 CEADMP C[N@@H+](CCOc1ccccc1)CC1CC[NH+](C)CC1 ZINC000104085930 622548758 /nfs/dbraw/zinc/54/87/58/622548758.db2.gz VNFNNDOOEDDLPX-UHFFFAOYSA-N 2 1 262.397 2.339 20 0 CEADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001024522165 625596602 /nfs/dbraw/zinc/59/66/02/625596602.db2.gz CLPNEXIBBGUJDJ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001024522165 625596604 /nfs/dbraw/zinc/59/66/04/625596604.db2.gz CLPNEXIBBGUJDJ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000079991739 622853548 /nfs/dbraw/zinc/85/35/48/622853548.db2.gz ATXXSXSANPNEJU-UHFFFAOYSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCCCCCO)CC1 ZINC000175778042 622874436 /nfs/dbraw/zinc/87/44/36/622874436.db2.gz LMJOBQLMILYGBF-UHFFFAOYSA-N 2 1 256.434 2.345 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000050248293 623372654 /nfs/dbraw/zinc/37/26/54/623372654.db2.gz HPRBMJPUYOSNMM-AWEZNQCLSA-N 2 1 270.376 2.499 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261573129 623382229 /nfs/dbraw/zinc/38/22/29/623382229.db2.gz UVHSMTBJINRRDW-MAZHCROVSA-N 2 1 261.413 2.451 20 0 CEADMP CCc1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000261685972 623429799 /nfs/dbraw/zinc/42/97/99/623429799.db2.gz AODHZWBRSSCOSC-UHFFFAOYSA-N 2 1 265.426 2.281 20 0 CEADMP Cc1nn(C)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1Cl ZINC000089233484 623464368 /nfs/dbraw/zinc/46/43/68/623464368.db2.gz NRYOOHSXFHXWMY-YHWZYXNKSA-N 2 1 296.846 2.487 20 0 CEADMP Cc1nn(C)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1Cl ZINC000089233484 623464373 /nfs/dbraw/zinc/46/43/73/623464373.db2.gz NRYOOHSXFHXWMY-YHWZYXNKSA-N 2 1 296.846 2.487 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@]1(C)CCOc2ccccc21 ZINC000933370427 623689968 /nfs/dbraw/zinc/68/99/68/623689968.db2.gz LORDMPSYNUKGAZ-MRXNPFEDSA-N 2 1 271.364 2.250 20 0 CEADMP Cc1noc(C[C@@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000933568410 623845570 /nfs/dbraw/zinc/84/55/70/623845570.db2.gz HFNVZEJQCBJRDO-GJZGRUSLSA-N 2 1 292.427 2.117 20 0 CEADMP Cc1noc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000933568410 623845579 /nfs/dbraw/zinc/84/55/79/623845579.db2.gz HFNVZEJQCBJRDO-GJZGRUSLSA-N 2 1 292.427 2.117 20 0 CEADMP Cc1noc(C[C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000933568410 623845585 /nfs/dbraw/zinc/84/55/85/623845585.db2.gz HFNVZEJQCBJRDO-GJZGRUSLSA-N 2 1 292.427 2.117 20 0 CEADMP Cn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C2CC2)n1 ZINC000891933322 624114968 /nfs/dbraw/zinc/11/49/68/624114968.db2.gz GDGZYPGKNIFZPY-UHFFFAOYSA-N 2 1 276.428 2.071 20 0 CEADMP CC[NH+](CC)Cc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261994279 624161365 /nfs/dbraw/zinc/16/13/65/624161365.db2.gz KODIVVLKLBFKRQ-UHFFFAOYSA-N 2 1 260.341 2.037 20 0 CEADMP Cc1[nH+]ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c1Br ZINC000892001179 624241882 /nfs/dbraw/zinc/24/18/82/624241882.db2.gz XLAFWGVSSHZADO-SNVBAGLBSA-N 2 1 296.212 2.223 20 0 CEADMP Cc1[nH+]ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c1Br ZINC000892001179 624241883 /nfs/dbraw/zinc/24/18/83/624241883.db2.gz XLAFWGVSSHZADO-SNVBAGLBSA-N 2 1 296.212 2.223 20 0 CEADMP C[C@@H]1Cc2cc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)ccc2O1 ZINC000892034259 624264585 /nfs/dbraw/zinc/26/45/85/624264585.db2.gz KKEQPUVMZYSIDV-HIFRSBDPSA-N 2 1 274.408 2.394 20 0 CEADMP C[C@@H]1Cc2cc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)ccc2O1 ZINC000892034259 624264588 /nfs/dbraw/zinc/26/45/88/624264588.db2.gz KKEQPUVMZYSIDV-HIFRSBDPSA-N 2 1 274.408 2.394 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCOC[C@@H]2c2ccccc2)CC1 ZINC000892121609 624334238 /nfs/dbraw/zinc/33/42/38/624334238.db2.gz TWNDEDCVZVMXCH-QGZVFWFLSA-N 2 1 274.408 2.402 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)c1cccnc1 ZINC000926596044 625217934 /nfs/dbraw/zinc/21/79/34/625217934.db2.gz MLQZWCLTDJWMMN-MZBDJJRSSA-N 2 1 273.424 2.289 20 0 CEADMP Cc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)cnc1F ZINC000892517128 625873930 /nfs/dbraw/zinc/87/39/30/625873930.db2.gz ZIMRQYZAXJULLZ-UHFFFAOYSA-N 2 1 253.365 2.349 20 0 CEADMP Cc1cc(C[NH2+]CCC[N@H+](C)C(C)C)cnc1F ZINC000892517128 625873942 /nfs/dbraw/zinc/87/39/42/625873942.db2.gz ZIMRQYZAXJULLZ-UHFFFAOYSA-N 2 1 253.365 2.349 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902326638 634588997 /nfs/dbraw/zinc/58/89/97/634588997.db2.gz CFDWLMPRHXUISB-INIZCTEOSA-N 3 1 281.488 2.476 20 0 CEADMP COC1CCC(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000892946667 627879256 /nfs/dbraw/zinc/87/92/56/627879256.db2.gz KAYZYOMUGLKACA-SHARSMKWSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000892946847 627880274 /nfs/dbraw/zinc/88/02/74/627880274.db2.gz QGPCAXKDDSAOFL-CYBMUJFWSA-N 2 1 268.351 2.439 20 0 CEADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nc2c(s1)CCC2 ZINC000926882096 627905634 /nfs/dbraw/zinc/90/56/34/627905634.db2.gz KYDSNYBORZWWPF-YWXMQNBFSA-N 2 1 277.437 2.062 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nc2c(s1)CCC2 ZINC000926882096 627905636 /nfs/dbraw/zinc/90/56/36/627905636.db2.gz KYDSNYBORZWWPF-YWXMQNBFSA-N 2 1 277.437 2.062 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](CO)c2ccc(F)cc2)C1 ZINC000902361894 634617353 /nfs/dbraw/zinc/61/73/53/634617353.db2.gz NSVYQXGCEVBYSX-CABCVRRESA-N 2 1 280.387 2.227 20 0 CEADMP Cc1[nH+]ccc(NCC2=CC[N@@H+](C)CC2)c1Br ZINC000893099531 628002174 /nfs/dbraw/zinc/00/21/74/628002174.db2.gz NLJXXNOGOLHYOQ-UHFFFAOYSA-N 2 1 296.212 2.248 20 0 CEADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH3+])CC1 ZINC000902408150 634623675 /nfs/dbraw/zinc/62/36/75/634623675.db2.gz XHAVTGVYQUKKQI-SNVBAGLBSA-N 2 1 283.213 2.461 20 0 CEADMP C1CC1N1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925512720 628046839 /nfs/dbraw/zinc/04/68/39/628046839.db2.gz BJIQTDVYUZXRAL-ZWKOTPCHSA-N 2 1 291.483 2.371 20 0 CEADMP COc1ccc(C)cc1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925517364 628062678 /nfs/dbraw/zinc/06/26/78/628062678.db2.gz GHKJAZXEFNFJIZ-INIZCTEOSA-N 2 1 274.408 2.420 20 0 CEADMP COc1cc(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)ccc1C ZINC000925521096 628076077 /nfs/dbraw/zinc/07/60/77/628076077.db2.gz IRNNTNNLKOJLAA-DZGCQCFKSA-N 2 1 262.397 2.276 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000180716947 628092452 /nfs/dbraw/zinc/09/24/52/628092452.db2.gz ABJOUEYQVSQCHC-DRZSPHRISA-N 2 1 250.390 2.242 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CN1C1CC1 ZINC000925542077 628172001 /nfs/dbraw/zinc/17/20/01/628172001.db2.gz NDQBHDCPDNDLJY-RFGFWPKPSA-N 2 1 265.445 2.107 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)C[N@H+]1C1CC1 ZINC000925542077 628171998 /nfs/dbraw/zinc/17/19/98/628171998.db2.gz NDQBHDCPDNDLJY-RFGFWPKPSA-N 2 1 265.445 2.107 20 0 CEADMP C[C@H](CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000925548882 628191372 /nfs/dbraw/zinc/19/13/72/628191372.db2.gz UQBWOJRYGZXXQC-MTSZKFMLSA-N 2 1 293.499 2.473 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000902392034 634631523 /nfs/dbraw/zinc/63/15/23/634631523.db2.gz JFTDMWBDZNAQHF-AWEZNQCLSA-N 3 1 279.403 2.152 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H]3CN(C[C@H]4CCC[NH2+]4)C[C@H]3C2)cc1 ZINC000310010345 628249240 /nfs/dbraw/zinc/24/92/40/628249240.db2.gz JXZSVQJJXFPDKM-IPMKNSEASA-N 2 1 299.462 2.192 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925607576 628287320 /nfs/dbraw/zinc/28/73/20/628287320.db2.gz WAIIRHMJDSLMNI-CVEARBPZSA-N 2 1 289.423 2.348 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925637324 628334854 /nfs/dbraw/zinc/33/48/54/628334854.db2.gz ZLMNFIFTQDOUAD-XZDPQHSOSA-N 2 1 262.397 2.480 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnn(CC3CCC3)c2)C12CCC2 ZINC000902428842 634650278 /nfs/dbraw/zinc/65/02/78/634650278.db2.gz BDHNWFJSFZOHHV-GJZGRUSLSA-N 2 1 274.412 2.043 20 0 CEADMP C[C@@](O)(CC[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925647048 628349215 /nfs/dbraw/zinc/34/92/15/628349215.db2.gz XFHVPFQHMXMIQZ-HZPDHXFCSA-N 2 1 274.408 2.158 20 0 CEADMP CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001026571721 628361195 /nfs/dbraw/zinc/36/11/95/628361195.db2.gz IXHNUOBVNOORON-GPANFISMSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@](O)(C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CCCCC1 ZINC000925657025 628364503 /nfs/dbraw/zinc/36/45/03/628364503.db2.gz HNZZRMMTGICRSR-GJZGRUSLSA-N 2 1 266.429 2.192 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925686443 628491883 /nfs/dbraw/zinc/49/18/83/628491883.db2.gz UGSCKLJWUIRORU-BPQIPLTHSA-N 3 1 293.499 2.476 20 0 CEADMP CC[C@@H](CSC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925689230 628498961 /nfs/dbraw/zinc/49/89/61/628498961.db2.gz HOCSAPRZFXMCPH-AVOUXACISA-N 2 1 286.485 2.359 20 0 CEADMP COc1ccccc1C[C@@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902443077 634660697 /nfs/dbraw/zinc/66/06/97/634660697.db2.gz CKNFABQWZXGEKO-DOMZBBRYSA-N 2 1 262.397 2.214 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCO[C@H](c2cccnc2)C1 ZINC000925691488 628507747 /nfs/dbraw/zinc/50/77/47/628507747.db2.gz NGDQEVJTSMWSQJ-TUUVXOQKSA-N 2 1 275.396 2.032 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C12CCC2 ZINC000308342821 628509372 /nfs/dbraw/zinc/50/93/72/628509372.db2.gz KBRUUZBIAZQWHM-ZQDZILKHSA-N 2 1 264.413 2.160 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C12CCC2 ZINC000308342821 628509376 /nfs/dbraw/zinc/50/93/76/628509376.db2.gz KBRUUZBIAZQWHM-ZQDZILKHSA-N 2 1 264.413 2.160 20 0 CEADMP C[C@@H]([NH3+])[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000925696852 628531392 /nfs/dbraw/zinc/53/13/92/628531392.db2.gz BOPQCBGWYJTQAT-HIFRSBDPSA-N 3 1 261.413 2.054 20 0 CEADMP C[C@@H]([NH3+])[C@H](NCC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000925696852 628531394 /nfs/dbraw/zinc/53/13/94/628531394.db2.gz BOPQCBGWYJTQAT-HIFRSBDPSA-N 2 1 261.413 2.054 20 0 CEADMP c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[NH2+]C13CCCC3)CN2 ZINC000925703984 628547148 /nfs/dbraw/zinc/54/71/48/628547148.db2.gz WQSXTHIABTUINM-HOCLYGCPSA-N 2 1 271.408 2.288 20 0 CEADMP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1cccc(OC)c1 ZINC000925712134 628563026 /nfs/dbraw/zinc/56/30/26/628563026.db2.gz PKTNQIIJSKLDTH-HRCADAONSA-N 2 1 290.407 2.242 20 0 CEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902447637 634670131 /nfs/dbraw/zinc/67/01/31/634670131.db2.gz APQDEOFGGPPMBH-SMDDNHRTSA-N 2 1 250.361 2.344 20 0 CEADMP CCC1(CC)[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[C@@H]1OC ZINC000902476022 634667683 /nfs/dbraw/zinc/66/76/83/634667683.db2.gz LZNSEXUAZDQSPH-BJJPWKGXSA-N 2 1 252.402 2.063 20 0 CEADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(C)C ZINC000902478990 634669109 /nfs/dbraw/zinc/66/91/09/634669109.db2.gz ZKQGZZTWYLGLPF-QKGCVVFFSA-N 2 1 266.429 2.309 20 0 CEADMP CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000162816899 628680649 /nfs/dbraw/zinc/68/06/49/628680649.db2.gz IONDCQSBWJQBSG-JKSUJKDBSA-N 2 1 294.439 2.138 20 0 CEADMP CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000162816899 628680652 /nfs/dbraw/zinc/68/06/52/628680652.db2.gz IONDCQSBWJQBSG-JKSUJKDBSA-N 2 1 294.439 2.138 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H]1c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000258192291 628696366 /nfs/dbraw/zinc/69/63/66/628696366.db2.gz YRUONIWBVIQOLS-RYUDHWBXSA-N 2 1 264.373 2.082 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000258192291 628696368 /nfs/dbraw/zinc/69/63/68/628696368.db2.gz YRUONIWBVIQOLS-RYUDHWBXSA-N 2 1 264.373 2.082 20 0 CEADMP CC1(C)CC[N@@H+](CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000902456042 634678054 /nfs/dbraw/zinc/67/80/54/634678054.db2.gz NDCCNQPMHUFJRC-CVEARBPZSA-N 2 1 273.424 2.453 20 0 CEADMP CC1(C)[C@H]([NH2+]Cc2ccc3nonc3c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902458116 634678761 /nfs/dbraw/zinc/67/87/61/634678761.db2.gz TXJQQRITUFUSIB-BYCMXARLSA-N 2 1 286.379 2.089 20 0 CEADMP C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902466959 634684736 /nfs/dbraw/zinc/68/47/36/634684736.db2.gz JSVZFTLQJUXZSE-IQZDNPOKSA-N 2 1 299.462 2.380 20 0 CEADMP c1ccc2c(c1)CCC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)C2 ZINC000902467651 634684742 /nfs/dbraw/zinc/68/47/42/634684742.db2.gz QKXYWKNSUFDHFC-WCXIOVBPSA-N 2 1 256.393 2.417 20 0 CEADMP C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902466960 634685080 /nfs/dbraw/zinc/68/50/80/634685080.db2.gz JSVZFTLQJUXZSE-QFACEVIFSA-N 2 1 299.462 2.380 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000925791865 628838555 /nfs/dbraw/zinc/83/85/55/628838555.db2.gz SQIIIBCBKMPDMA-TYNCELHUSA-N 2 1 278.371 2.485 20 0 CEADMP CC(C)C(C(C)C)[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000925830663 628923896 /nfs/dbraw/zinc/92/38/96/628923896.db2.gz KGUBLKTZRHALTO-CQSZACIVSA-N 2 1 270.461 2.349 20 0 CEADMP Cc1nc2c(cccc2CCN[C@H]2C[NH2+]CC[C@H]2C)o1 ZINC000925840787 628944036 /nfs/dbraw/zinc/94/40/36/628944036.db2.gz XEMAOVQMOGPIGW-RISCZKNCSA-N 2 1 273.380 2.266 20 0 CEADMP Cc1nc2c(cccc2CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)o1 ZINC000925840787 628944038 /nfs/dbraw/zinc/94/40/38/628944038.db2.gz XEMAOVQMOGPIGW-RISCZKNCSA-N 2 1 273.380 2.266 20 0 CEADMP C[C@H]1CC([NH2+]CCCCC[NH+]2CCNCC2)C[C@H](C)C1 ZINC000925843186 628945510 /nfs/dbraw/zinc/94/55/10/628945510.db2.gz CYCJITZETKINJO-HZPDHXFCSA-N 2 1 281.488 2.476 20 0 CEADMP CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H]3CC[NH2+]C34CCC4)C2)n1 ZINC000925874409 628974922 /nfs/dbraw/zinc/97/49/22/628974922.db2.gz YZMOUDKYQNIWDV-UPJWGTAASA-N 2 1 290.411 2.142 20 0 CEADMP N[C@H]1CCCCC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925880717 628979772 /nfs/dbraw/zinc/97/97/72/628979772.db2.gz ASOCQYKGUVLPLT-WNRNVDISSA-N 2 1 287.451 2.295 20 0 CEADMP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000925883334 628981738 /nfs/dbraw/zinc/98/17/38/628981738.db2.gz XYQQCKHFBJOSSA-IZAXUBKRSA-N 3 1 299.462 2.262 20 0 CEADMP Cc1ncccc1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000902513125 634698720 /nfs/dbraw/zinc/69/87/20/634698720.db2.gz KKMZOMVCBGSDBN-OAHLLOKOSA-N 2 1 259.397 2.197 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc2nonc12 ZINC000821380951 634703843 /nfs/dbraw/zinc/70/38/43/634703843.db2.gz UCNDSGWALPTKIG-AWEZNQCLSA-N 2 1 286.379 2.141 20 0 CEADMP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc2nonc12 ZINC000821380951 634703846 /nfs/dbraw/zinc/70/38/46/634703846.db2.gz UCNDSGWALPTKIG-AWEZNQCLSA-N 2 1 286.379 2.141 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902488118 634703960 /nfs/dbraw/zinc/70/39/60/634703960.db2.gz KKLSJQYQAFPEJB-LEUOFYLZSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902488118 634703965 /nfs/dbraw/zinc/70/39/65/634703965.db2.gz KKLSJQYQAFPEJB-LEUOFYLZSA-N 3 1 287.451 2.224 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](CCC(C)C)CC2)C1 ZINC000925929589 629076882 /nfs/dbraw/zinc/07/68/82/629076882.db2.gz NXXJRGVQKBIDHX-WBVHZDCISA-N 2 1 281.488 2.427 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000894068837 629112090 /nfs/dbraw/zinc/11/20/90/629112090.db2.gz ZGHSWGSNAFKYMM-KRWDZBQOSA-N 2 1 296.455 2.239 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924872692 629143903 /nfs/dbraw/zinc/14/39/03/629143903.db2.gz JMEJPKDDOSWPHO-UHFFFAOYSA-N 2 1 263.385 2.129 20 0 CEADMP C[N@H+](CCCCNc1nccn2c[nH+]cc12)C1CC1 ZINC000894140252 629163110 /nfs/dbraw/zinc/16/31/10/629163110.db2.gz BCUZHGBQPXDPIV-UHFFFAOYSA-N 2 1 259.357 2.016 20 0 CEADMP C[N@@H+](CCCCNc1nccn2c[nH+]cc12)C1CC1 ZINC000894140252 629163117 /nfs/dbraw/zinc/16/31/17/629163117.db2.gz BCUZHGBQPXDPIV-UHFFFAOYSA-N 2 1 259.357 2.016 20 0 CEADMP c1nc(CNCc2ccc(C[NH+]3CCCC3)cc2)c[nH]1 ZINC000894153846 629173040 /nfs/dbraw/zinc/17/30/40/629173040.db2.gz NTOBICMSWJXPJG-UHFFFAOYSA-N 2 1 270.380 2.295 20 0 CEADMP CC1(C)COC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000894164213 629177617 /nfs/dbraw/zinc/17/76/17/629177617.db2.gz FMHLOUNZBIULPS-KRWDZBQOSA-N 2 1 288.435 2.449 20 0 CEADMP CC1(C)COC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000894164213 629177619 /nfs/dbraw/zinc/17/76/19/629177619.db2.gz FMHLOUNZBIULPS-KRWDZBQOSA-N 2 1 288.435 2.449 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOC(F)(F)F)C1 ZINC000878167284 629223297 /nfs/dbraw/zinc/22/32/97/629223297.db2.gz ROQPSROJIGEPIH-LLVKDONJSA-N 2 1 268.323 2.187 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(CCCOC(F)(F)F)C1 ZINC000878167284 629223290 /nfs/dbraw/zinc/22/32/90/629223290.db2.gz ROQPSROJIGEPIH-LLVKDONJSA-N 2 1 268.323 2.187 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCCOC(F)(F)F)C1 ZINC000878167284 629223291 /nfs/dbraw/zinc/22/32/91/629223291.db2.gz ROQPSROJIGEPIH-LLVKDONJSA-N 2 1 268.323 2.187 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOC(F)(F)F)C1 ZINC000878167284 629223293 /nfs/dbraw/zinc/22/32/93/629223293.db2.gz ROQPSROJIGEPIH-LLVKDONJSA-N 2 1 268.323 2.187 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOC(F)(F)F)C1 ZINC000878167284 629223295 /nfs/dbraw/zinc/22/32/95/629223295.db2.gz ROQPSROJIGEPIH-LLVKDONJSA-N 2 1 268.323 2.187 20 0 CEADMP CC(C)n1nccc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261795864 629240505 /nfs/dbraw/zinc/24/05/05/629240505.db2.gz GNFQEDHBRXNKLR-CHWSQXEVSA-N 2 1 250.390 2.023 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261795864 629240508 /nfs/dbraw/zinc/24/05/08/629240508.db2.gz GNFQEDHBRXNKLR-CHWSQXEVSA-N 2 1 250.390 2.023 20 0 CEADMP CC(C)n1nccc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261795874 629240583 /nfs/dbraw/zinc/24/05/83/629240583.db2.gz GNFQEDHBRXNKLR-STQMWFEESA-N 2 1 250.390 2.023 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261795874 629240587 /nfs/dbraw/zinc/24/05/87/629240587.db2.gz GNFQEDHBRXNKLR-STQMWFEESA-N 2 1 250.390 2.023 20 0 CEADMP Fc1cccc2c1C[N@@H+](CC1CC[NH2+]CC1)CCO2 ZINC000261808345 629249577 /nfs/dbraw/zinc/24/95/77/629249577.db2.gz PRLBMDLXAQRGNZ-UHFFFAOYSA-N 2 1 264.344 2.020 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1nncn1C ZINC000924944769 629283691 /nfs/dbraw/zinc/28/36/91/629283691.db2.gz DDCCZCAFGFDJQD-QWHCGFSZSA-N 2 1 287.411 2.289 20 0 CEADMP C[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1nncn1C ZINC000924944770 629283708 /nfs/dbraw/zinc/28/37/08/629283708.db2.gz DDCCZCAFGFDJQD-STQMWFEESA-N 2 1 287.411 2.289 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CN3C[C@@H]2CCC3)c1 ZINC000924959442 629297207 /nfs/dbraw/zinc/29/72/07/629297207.db2.gz OIJLLSFXOLCATA-ZWKOTPCHSA-N 2 1 287.451 2.322 20 0 CEADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000924968806 629308680 /nfs/dbraw/zinc/30/86/80/629308680.db2.gz FIKKSXQQAVMCSJ-NHAGDIPZSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000924968806 629308684 /nfs/dbraw/zinc/30/86/84/629308684.db2.gz FIKKSXQQAVMCSJ-NHAGDIPZSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261937981 629347895 /nfs/dbraw/zinc/34/78/95/629347895.db2.gz MHSIYTVDQUJVRT-AWEZNQCLSA-N 2 1 284.407 2.176 20 0 CEADMP CNc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000902584654 634737012 /nfs/dbraw/zinc/73/70/12/634737012.db2.gz OOEPLLQGSPDQPN-GOOCMWNKSA-N 2 1 259.397 2.443 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@@]2(C)Br)C1 ZINC000894457237 629471390 /nfs/dbraw/zinc/47/13/90/629471390.db2.gz WNYKHWWANVBKDW-FRRDWIJNSA-N 2 1 289.261 2.480 20 0 CEADMP CCc1ncc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000262030741 629475631 /nfs/dbraw/zinc/47/56/31/629475631.db2.gz NZWHMGNRUROPRO-UHFFFAOYSA-N 2 1 265.426 2.281 20 0 CEADMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000894476648 629484649 /nfs/dbraw/zinc/48/46/49/629484649.db2.gz RTJLUHSCKXYNNV-UHFFFAOYSA-N 2 1 263.341 2.315 20 0 CEADMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000894476648 629484651 /nfs/dbraw/zinc/48/46/51/629484651.db2.gz RTJLUHSCKXYNNV-UHFFFAOYSA-N 2 1 263.341 2.315 20 0 CEADMP CO[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C12CCC2 ZINC000894753082 629621665 /nfs/dbraw/zinc/62/16/65/629621665.db2.gz ITJANQLPVOLEHL-CABCVRRESA-N 2 1 266.429 2.218 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CO[C@H](C)[C@H]2C)[C@@H](C)C1 ZINC000925079832 629640001 /nfs/dbraw/zinc/64/00/01/629640001.db2.gz ZQBBKOZMVAIDNU-JZAWBGDQSA-N 2 1 298.471 2.136 20 0 CEADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc(OC)c1 ZINC000262057811 629651251 /nfs/dbraw/zinc/65/12/51/629651251.db2.gz QVTKJJANGWANPV-UHFFFAOYSA-N 2 1 290.407 2.279 20 0 CEADMP CCOC[C@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000894857049 629694339 /nfs/dbraw/zinc/69/43/39/629694339.db2.gz VYAPTXGYQXVMCB-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccncc1 ZINC000796315677 629842392 /nfs/dbraw/zinc/84/23/92/629842392.db2.gz JZYOIONUUCMSOU-LBPRGKRZSA-N 2 1 290.436 2.493 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CC1CC[NH+](C)CC1)CCOCC2 ZINC000895124514 629927833 /nfs/dbraw/zinc/92/78/33/629927833.db2.gz ZJYOBJHWTFWUPH-AWEZNQCLSA-N 2 1 266.429 2.219 20 0 CEADMP CC[C@H](COCC1CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000895314415 630102484 /nfs/dbraw/zinc/10/24/84/630102484.db2.gz VXUFJYOEWBPIRP-WZYMTQMTSA-N 2 1 266.429 2.406 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)CC1 ZINC000895439225 630191648 /nfs/dbraw/zinc/19/16/48/630191648.db2.gz YHPVFZGZIACDBG-UHFFFAOYSA-N 2 1 278.440 2.219 20 0 CEADMP CC[C@@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[NH+]1CCCC1 ZINC000902740838 634795084 /nfs/dbraw/zinc/79/50/84/634795084.db2.gz DPPVNHDCVRSLCI-OVYBAWALSA-N 2 1 278.440 2.264 20 0 CEADMP C[NH+]1CCC(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000895479181 630214016 /nfs/dbraw/zinc/21/40/16/630214016.db2.gz LLPFBRIXTOFBRQ-KRWDZBQOSA-N 3 1 279.472 2.040 20 0 CEADMP CCc1nn(C)cc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895555752 630247676 /nfs/dbraw/zinc/24/76/76/630247676.db2.gz CFLCBNYVQAHUOO-AWEZNQCLSA-N 2 1 299.422 2.088 20 0 CEADMP CCc1nn(C)cc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895555752 630247680 /nfs/dbraw/zinc/24/76/80/630247680.db2.gz CFLCBNYVQAHUOO-AWEZNQCLSA-N 2 1 299.422 2.088 20 0 CEADMP CCc1onc(C)c1CNC[C@H]1CCCC[N@@H+](C)C1 ZINC000895587396 630261892 /nfs/dbraw/zinc/26/18/92/630261892.db2.gz REPVHMHPSXSSTA-CYBMUJFWSA-N 2 1 265.401 2.367 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccns2)[C@H](C)C1 ZINC000883249107 630441799 /nfs/dbraw/zinc/44/17/99/630441799.db2.gz SWOMOIWCIAZCIM-YPMHNXCESA-N 2 1 253.415 2.006 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902759668 634813631 /nfs/dbraw/zinc/81/36/31/634813631.db2.gz BUXNYOFYDWANTF-VCCANDMLSA-N 2 1 278.440 2.121 20 0 CEADMP CCO[C@H](C[NH2+]CCc1ccc(C)cc1)C[NH+](C)C ZINC000896880089 630699079 /nfs/dbraw/zinc/69/90/79/630699079.db2.gz NERDUGQELIHMGZ-MRXNPFEDSA-N 2 1 264.413 2.094 20 0 CEADMP COc1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192620969 630766235 /nfs/dbraw/zinc/76/62/35/630766235.db2.gz QOPQQRGFYZDLEV-GOOCMWNKSA-N 2 1 290.407 2.289 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000904321871 635567979 /nfs/dbraw/zinc/56/79/79/635567979.db2.gz JGJGBHPDYAMNAI-HLLBOEOZSA-N 2 1 273.424 2.325 20 0 CEADMP FC(F)C1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000799717450 631068575 /nfs/dbraw/zinc/06/85/75/631068575.db2.gz FWCBQJDCFPJAEV-NWINJMCUSA-N 2 1 288.382 2.263 20 0 CEADMP FC(F)C1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000799717450 631068579 /nfs/dbraw/zinc/06/85/79/631068579.db2.gz FWCBQJDCFPJAEV-NWINJMCUSA-N 2 1 288.382 2.263 20 0 CEADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC000909601286 631094957 /nfs/dbraw/zinc/09/49/57/631094957.db2.gz OGJHOLVTKRNXRZ-UHFFFAOYSA-N 2 1 286.379 2.200 20 0 CEADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)C[NH+]1CCCC1 ZINC000909603403 631114141 /nfs/dbraw/zinc/11/41/41/631114141.db2.gz LWMUUTKDQMIJHN-UHFFFAOYSA-N 2 1 275.396 2.091 20 0 CEADMP C[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925197358 631169314 /nfs/dbraw/zinc/16/93/14/631169314.db2.gz MBILVNQLXNKTAN-HUUCEWRRSA-N 2 1 299.422 2.260 20 0 CEADMP C[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925197358 631169317 /nfs/dbraw/zinc/16/93/17/631169317.db2.gz MBILVNQLXNKTAN-HUUCEWRRSA-N 2 1 299.422 2.260 20 0 CEADMP Cc1noc(C)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000237347112 631564155 /nfs/dbraw/zinc/56/41/55/631564155.db2.gz GPINZCXLPGYFCM-JTQLQIEISA-N 2 1 262.357 2.222 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CCCCCC[NH3+] ZINC000237400467 631663478 /nfs/dbraw/zinc/66/34/78/631663478.db2.gz DBHVAVPGIBTBMI-CABCVRRESA-N 2 1 283.460 2.132 20 0 CEADMP Cc1ccc(CCC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cn1 ZINC000897621795 631827505 /nfs/dbraw/zinc/82/75/05/631827505.db2.gz UEEHEGXWTMUDHH-SJORKVTESA-N 2 1 273.424 2.206 20 0 CEADMP Cc1ccc(CCC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cn1 ZINC000897621795 631827510 /nfs/dbraw/zinc/82/75/10/631827510.db2.gz UEEHEGXWTMUDHH-SJORKVTESA-N 2 1 273.424 2.206 20 0 CEADMP Cc1ccc(CCC[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cn1 ZINC000897621795 631827516 /nfs/dbraw/zinc/82/75/16/631827516.db2.gz UEEHEGXWTMUDHH-SJORKVTESA-N 2 1 273.424 2.206 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C)cn2)C1 ZINC000808378148 631952789 /nfs/dbraw/zinc/95/27/89/631952789.db2.gz GAHHKCZEXVQJCF-AWEZNQCLSA-N 2 1 264.417 2.022 20 0 CEADMP CC(C)C(=O)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000808734634 632009450 /nfs/dbraw/zinc/00/94/50/632009450.db2.gz BEBVJCLBCOUATF-KBPBESRZSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)C(=O)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000808734634 632009453 /nfs/dbraw/zinc/00/94/53/632009453.db2.gz BEBVJCLBCOUATF-KBPBESRZSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)C(=O)CCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000808734634 632009460 /nfs/dbraw/zinc/00/94/60/632009460.db2.gz BEBVJCLBCOUATF-KBPBESRZSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)C(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000808734636 632009532 /nfs/dbraw/zinc/00/95/32/632009532.db2.gz BEBVJCLBCOUATF-UONOGXRCSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)C(=O)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000808734636 632009535 /nfs/dbraw/zinc/00/95/35/632009535.db2.gz BEBVJCLBCOUATF-UONOGXRCSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)C(=O)CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000808734636 632009538 /nfs/dbraw/zinc/00/95/38/632009538.db2.gz BEBVJCLBCOUATF-UONOGXRCSA-N 2 1 252.402 2.018 20 0 CEADMP CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC000989738524 632234597 /nfs/dbraw/zinc/23/45/97/632234597.db2.gz DOQSXLKXCNCZEH-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000989738524 632234604 /nfs/dbraw/zinc/23/46/04/632234604.db2.gz DOQSXLKXCNCZEH-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000989738524 632234610 /nfs/dbraw/zinc/23/46/10/632234610.db2.gz DOQSXLKXCNCZEH-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP Cn1c(Cl)nc(Cl)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000841058627 632361346 /nfs/dbraw/zinc/36/13/46/632361346.db2.gz UPADHPGUMAMCPP-JGVFFNPUSA-N 2 1 277.199 2.086 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccc(F)cc1F ZINC000841063181 632373852 /nfs/dbraw/zinc/37/38/52/632373852.db2.gz JOPAFBWJLJUPTP-IINYFYTJSA-N 2 1 254.324 2.237 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CCC[C@H]1CCF)C[NH+](C)C ZINC000926957364 632384438 /nfs/dbraw/zinc/38/44/38/632384438.db2.gz AIZYJHZAAJPBSJ-MJBXVCDLSA-N 2 1 260.397 2.071 20 0 CEADMP CCO[C@@H](CN[C@@H]1CCc2ccccc21)C[NH+](C)C ZINC000926967013 632396986 /nfs/dbraw/zinc/39/69/86/632396986.db2.gz ZJIMXNDRDJOHAG-GOEBONIOSA-N 2 1 262.397 2.230 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)O2)[C@H](C)C1 ZINC000927017709 632417589 /nfs/dbraw/zinc/41/75/89/632417589.db2.gz YXNJGGKSXMJGOX-PMPSAXMXSA-N 2 1 296.455 2.035 20 0 CEADMP CC[NH+](CC)CCCOC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000923890478 632424941 /nfs/dbraw/zinc/42/49/41/632424941.db2.gz XSZIHSOHUOQHQG-CQSZACIVSA-N 2 1 270.417 2.134 20 0 CEADMP C(COC1CCSCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000898439764 632493104 /nfs/dbraw/zinc/49/31/04/632493104.db2.gz MEIJPLAAVPNUBQ-KBPBESRZSA-N 2 1 284.469 2.115 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](CC(=O)OC)C2)[C@H](C)C1 ZINC000898481070 632513823 /nfs/dbraw/zinc/51/38/23/632513823.db2.gz LTTFZRDASPSLPA-BARDWOONSA-N 2 1 282.428 2.038 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000898985743 632671790 /nfs/dbraw/zinc/67/17/90/632671790.db2.gz AQVMKWABXSTHED-ZDUSSCGKSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000898985743 632671792 /nfs/dbraw/zinc/67/17/92/632671792.db2.gz AQVMKWABXSTHED-ZDUSSCGKSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000898985743 632671796 /nfs/dbraw/zinc/67/17/96/632671796.db2.gz AQVMKWABXSTHED-ZDUSSCGKSA-N 2 1 283.460 2.096 20 0 CEADMP CC[C@](O)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(F)(F)F ZINC000905132714 635838223 /nfs/dbraw/zinc/83/82/23/635838223.db2.gz BGVXOBFOSSUVBX-WVMKXHBISA-N 2 1 294.361 2.295 20 0 CEADMP C[N@H+]1CCC[C@]2(CCN(C[C@@H](O)c3cccc(F)c3)C2)C1 ZINC000815144459 632971075 /nfs/dbraw/zinc/97/10/75/632971075.db2.gz ZXLKQEOKEKPRKK-SJORKVTESA-N 2 1 292.398 2.277 20 0 CEADMP C[NH+](C)Cc1ccc(-c2noc([C@]34C[C@H]3CCC[NH2+]4)n2)cc1 ZINC000900004560 633165642 /nfs/dbraw/zinc/16/56/42/633165642.db2.gz LOTINKLRFBZIDX-PBHICJAKSA-N 2 1 298.390 2.397 20 0 CEADMP Cn1ncc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1Cl ZINC000816599028 633419180 /nfs/dbraw/zinc/41/91/80/633419180.db2.gz ZQKLUASLYKHHRG-UHFFFAOYSA-N 2 1 296.846 2.381 20 0 CEADMP Cc1nocc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000816598655 633419588 /nfs/dbraw/zinc/41/95/88/633419588.db2.gz KSICABDBFCTENQ-UHFFFAOYSA-N 2 1 263.385 2.291 20 0 CEADMP COc1ccccc1[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817892815 633755608 /nfs/dbraw/zinc/75/56/08/633755608.db2.gz PVBRTIVJKXGZLI-YESZJQIVSA-N 2 1 298.386 2.463 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000817894466 633756546 /nfs/dbraw/zinc/75/65/46/633756546.db2.gz ZLJTUDPRMAXTFT-BLLLJJGKSA-N 2 1 271.364 2.187 20 0 CEADMP C[C@H]([NH2+]CCc1ccc(Cl)nc1)[C@@H]1CCCC[NH2+]1 ZINC000817901655 633762284 /nfs/dbraw/zinc/76/22/84/633762284.db2.gz DIQQWELEHPQFAF-AAEUAGOBSA-N 2 1 267.804 2.398 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1c[nH+]ccc1N ZINC000817913846 633772623 /nfs/dbraw/zinc/77/26/23/633772623.db2.gz NASWOYJJOOAESL-FZKQIMNGSA-N 2 1 297.402 2.369 20 0 CEADMP C[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1c[nH+]ccc1N ZINC000817918423 633776991 /nfs/dbraw/zinc/77/69/91/633776991.db2.gz JJJJGUKDNZOWOK-STQMWFEESA-N 2 1 291.395 2.221 20 0 CEADMP CC[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817927538 633782651 /nfs/dbraw/zinc/78/26/51/633782651.db2.gz GSMSWIYDMLCRHA-BBWFWOEESA-N 2 1 276.424 2.100 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccnc1Cl ZINC000817946549 633793190 /nfs/dbraw/zinc/79/31/90/633793190.db2.gz ZAUWAUPKZSPHOE-MNOVXSKESA-N 2 1 253.777 2.385 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000817958371 633801188 /nfs/dbraw/zinc/80/11/88/633801188.db2.gz IWSXLNDEPXFIIT-CZUORRHYSA-N 2 1 289.423 2.447 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc2c(c1)CCO2 ZINC000817966054 633808087 /nfs/dbraw/zinc/80/80/87/633808087.db2.gz ZVUHCGKMZGWQQG-CABCVRRESA-N 2 1 260.381 2.400 20 0 CEADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817972268 633816201 /nfs/dbraw/zinc/81/62/01/633816201.db2.gz KQRDAHMHKRJHRQ-VXGBXAGGSA-N 2 1 277.368 2.031 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000817977840 633821867 /nfs/dbraw/zinc/82/18/67/633821867.db2.gz QGOCFOMPKNIBKO-AGIUHOORSA-N 2 1 275.396 2.200 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1cc(-c2ccccc2F)no1 ZINC000901398992 634090935 /nfs/dbraw/zinc/09/09/35/634090935.db2.gz AFYNSWVKXXMVEA-UHFFFAOYSA-N 2 1 263.316 2.261 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cc(-c2ccccc2F)no1 ZINC000901398992 634090940 /nfs/dbraw/zinc/09/09/40/634090940.db2.gz AFYNSWVKXXMVEA-UHFFFAOYSA-N 2 1 263.316 2.261 20 0 CEADMP CS[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000822456153 634922134 /nfs/dbraw/zinc/92/21/34/634922134.db2.gz PJSYXBRSWWLTDZ-SOUVJXGZSA-N 2 1 284.469 2.113 20 0 CEADMP CCCn1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)nn1 ZINC000903018161 634927411 /nfs/dbraw/zinc/92/74/11/634927411.db2.gz YCOGPPQCWBNEIK-KGLIPLIRSA-N 2 1 279.432 2.071 20 0 CEADMP C[C@@H](Cc1cnccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903083199 634961212 /nfs/dbraw/zinc/96/12/12/634961212.db2.gz BGNHQJNOTTULCK-MACMSNGSSA-N 2 1 286.423 2.155 20 0 CEADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000903091732 634974100 /nfs/dbraw/zinc/97/41/00/634974100.db2.gz ZMNPVTJIMRSVSB-RBSFLKMASA-N 2 1 254.418 2.264 20 0 CEADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCCC1 ZINC000903174021 634998431 /nfs/dbraw/zinc/99/84/31/634998431.db2.gz BYZFDQGAUPRSPJ-CVGRLMLNSA-N 2 1 278.440 2.285 20 0 CEADMP C[C@H]1CSC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903170104 635003806 /nfs/dbraw/zinc/00/38/06/635003806.db2.gz FTGDBGMMAIVRNC-JMBBZFAESA-N 2 1 266.454 2.485 20 0 CEADMP O[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C12CCC2 ZINC000903200521 635010097 /nfs/dbraw/zinc/01/00/97/635010097.db2.gz QJRSFMDETOMDEL-UIEWWBOYSA-N 2 1 276.424 2.037 20 0 CEADMP CC[C@@H](C[C@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903214786 635019068 /nfs/dbraw/zinc/01/90/68/635019068.db2.gz XRAHNLALJJKQDI-BBQCCYIRSA-N 2 1 266.429 2.283 20 0 CEADMP C[C@@H]1CC2(CC([NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)C2)CO1 ZINC000903281958 635042382 /nfs/dbraw/zinc/04/23/82/635042382.db2.gz JGSDZEYRJGNBBA-XTVKIAIDSA-N 2 1 278.440 2.406 20 0 CEADMP OC[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000903292104 635043707 /nfs/dbraw/zinc/04/37/07/635043707.db2.gz BBIYFFKCKKGKFS-QGZVFWFLSA-N 2 1 288.435 2.197 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CCO)cc2)[C@H]2CCC[C@@H]21 ZINC000903402715 635110488 /nfs/dbraw/zinc/11/04/88/635110488.db2.gz GUNQKSRBHRAJNV-SQNIBIBYSA-N 2 1 288.435 2.184 20 0 CEADMP C1CC1[C@@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903436342 635116505 /nfs/dbraw/zinc/11/65/05/635116505.db2.gz IRHOKURJHMDXMV-GARPMUOSSA-N 2 1 276.424 2.159 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)[C@@H]2CCC[C@@H]21 ZINC000903438937 635117763 /nfs/dbraw/zinc/11/77/63/635117763.db2.gz AKVOUZBQTPFHGC-IECFSIQFSA-N 2 1 286.419 2.107 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)[C@@H]2CCC[C@H]21 ZINC000903438939 635118002 /nfs/dbraw/zinc/11/80/02/635118002.db2.gz AKVOUZBQTPFHGC-QXDIGNSFSA-N 2 1 286.419 2.107 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC3(CCOCC3)C2)C1 ZINC000903440125 635119583 /nfs/dbraw/zinc/11/95/83/635119583.db2.gz UDRSNWDVEQOZNT-UONOGXRCSA-N 2 1 252.402 2.006 20 0 CEADMP COC[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)C(C)C ZINC000903460856 635125900 /nfs/dbraw/zinc/12/59/00/635125900.db2.gz KFMOCPVGZBIQGA-HZMVEIRTSA-N 2 1 298.471 2.266 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCc2ccns2)C1 ZINC000903460601 635126022 /nfs/dbraw/zinc/12/60/22/635126022.db2.gz FKBXENNHBGWBRV-SNPRPXQTSA-N 2 1 295.452 2.046 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)C1 ZINC000903460996 635126425 /nfs/dbraw/zinc/12/64/25/635126425.db2.gz LJOAVQLQYMBJSF-BYNSBNAKSA-N 2 1 252.402 2.005 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)nn1 ZINC000903463482 635127345 /nfs/dbraw/zinc/12/73/45/635127345.db2.gz CGNOSBBSTSVDHB-MRXNPFEDSA-N 2 1 288.439 2.305 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903463804 635127361 /nfs/dbraw/zinc/12/73/61/635127361.db2.gz NPVZUPNDPNFLJG-DOMZBBRYSA-N 2 1 260.381 2.181 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000903454606 635138370 /nfs/dbraw/zinc/13/83/70/635138370.db2.gz FCWPPMVTLNUBEL-LPEHRKFASA-N 2 1 268.323 2.059 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCOc3cc(F)ccc3C2)C1 ZINC000903474894 635143611 /nfs/dbraw/zinc/14/36/11/635143611.db2.gz SQVJKMBFYOQFDB-SMDDNHRTSA-N 2 1 264.344 2.148 20 0 CEADMP COc1ccc([C@@H]2C[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)CCO2)cc1 ZINC000903475970 635144987 /nfs/dbraw/zinc/14/49/87/635144987.db2.gz JIKHIPSFKMIKRO-KMFMINBZSA-N 2 1 290.407 2.196 20 0 CEADMP c1ccc2c(c1)CC[C@@]21CC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903477857 635147581 /nfs/dbraw/zinc/14/75/81/635147581.db2.gz AHYWKVPOKSWQRP-WBVHZDCISA-N 2 1 256.393 2.328 20 0 CEADMP c1ccc2c(c1)CC[C@@]21CC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903477857 635147586 /nfs/dbraw/zinc/14/75/86/635147586.db2.gz AHYWKVPOKSWQRP-WBVHZDCISA-N 2 1 256.393 2.328 20 0 CEADMP CO[C@@H](C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C1CCCC1 ZINC000903498972 635154193 /nfs/dbraw/zinc/15/41/93/635154193.db2.gz PNYYBZJRXYGACH-YUELXQCFSA-N 2 1 254.418 2.108 20 0 CEADMP FC1(F)C[C@@]2(CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)C1(F)F ZINC000903491013 635156551 /nfs/dbraw/zinc/15/65/51/635156551.db2.gz QWRAZQQGDXVZHO-WDEREUQCSA-N 2 1 280.309 2.352 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496864 635157881 /nfs/dbraw/zinc/15/78/81/635157881.db2.gz HYIRXALMGLFNCI-HUUCEWRRSA-N 2 1 292.423 2.381 20 0 CEADMP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H](OC)C1CCCC1 ZINC000903529368 635161972 /nfs/dbraw/zinc/16/19/72/635161972.db2.gz ZCAWSNGOJIJUIU-LSDHHAIUSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H](OC)C1CCCC1 ZINC000903529368 635161977 /nfs/dbraw/zinc/16/19/77/635161977.db2.gz ZCAWSNGOJIJUIU-LSDHHAIUSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)c1nnc2n1CC[N@@H+](CCCCCC[NH3+])[C@@H]2C ZINC000903576964 635169356 /nfs/dbraw/zinc/16/93/56/635169356.db2.gz AZBKZPMWSQPHJU-CYBMUJFWSA-N 2 1 279.432 2.297 20 0 CEADMP CC(C)c1nnc2n1CC[N@H+](CCCCCC[NH3+])[C@@H]2C ZINC000903576964 635169358 /nfs/dbraw/zinc/16/93/58/635169358.db2.gz AZBKZPMWSQPHJU-CYBMUJFWSA-N 2 1 279.432 2.297 20 0 CEADMP CC(C)c1nnc2n1CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]2C ZINC000903577554 635169543 /nfs/dbraw/zinc/16/95/43/635169543.db2.gz NYDSELMPQDMELW-UONOGXRCSA-N 2 1 291.443 2.168 20 0 CEADMP CC(C)c1nnc2n1CC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]2C ZINC000903577554 635169549 /nfs/dbraw/zinc/16/95/49/635169549.db2.gz NYDSELMPQDMELW-UONOGXRCSA-N 2 1 291.443 2.168 20 0 CEADMP CC(C)C[N@H+](Cc1ccccn1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903575062 635170009 /nfs/dbraw/zinc/17/00/09/635170009.db2.gz FBUZMZODOZEKAQ-MRXNPFEDSA-N 2 1 289.423 2.061 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823605191 635226814 /nfs/dbraw/zinc/22/68/14/635226814.db2.gz JDCLADLSVXJOQS-INIZCTEOSA-N 2 1 273.380 2.031 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823605191 635226825 /nfs/dbraw/zinc/22/68/25/635226825.db2.gz JDCLADLSVXJOQS-INIZCTEOSA-N 2 1 273.380 2.031 20 0 CEADMP C[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]C1 ZINC000903722167 635235097 /nfs/dbraw/zinc/23/50/97/635235097.db2.gz IBRJXLONIQOJSZ-RDJZCZTQSA-N 2 1 276.424 2.259 20 0 CEADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+](C1CC1)C1CCCC1 ZINC000903722687 635235923 /nfs/dbraw/zinc/23/59/23/635235923.db2.gz DDAJLUZDQAFRFZ-CVEARBPZSA-N 2 1 264.413 2.162 20 0 CEADMP CC[C@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722599 635235958 /nfs/dbraw/zinc/23/59/58/635235958.db2.gz NSWKKHRLMBNKSU-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CCc2ccccc21 ZINC000903724156 635237318 /nfs/dbraw/zinc/23/73/18/635237318.db2.gz LLAVOGRQKBRDML-SZMVWBNQSA-N 2 1 286.419 2.374 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903723684 635237703 /nfs/dbraw/zinc/23/77/03/635237703.db2.gz XZSRMJTUYNWOAM-CABCVRRESA-N 2 1 266.429 2.267 20 0 CEADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000903727860 635239356 /nfs/dbraw/zinc/23/93/56/635239356.db2.gz YKPGSXZCTYICAT-OAGGEKHMSA-N 2 1 278.440 2.410 20 0 CEADMP OCC[N@@H+](C[C@H]1CCCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000903729712 635240480 /nfs/dbraw/zinc/24/04/80/635240480.db2.gz REKBXEHWSLSRSY-MAUKXSAKSA-N 2 1 288.435 2.358 20 0 CEADMP Cc1ccc(C[N@@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)s1 ZINC000903729253 635241033 /nfs/dbraw/zinc/24/10/33/635241033.db2.gz LJOCFKATJWCABS-UKRRQHHQSA-N 2 1 280.437 2.257 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)c1ccccc1 ZINC000903729858 635242318 /nfs/dbraw/zinc/24/23/18/635242318.db2.gz RPPMQJLMZBMYBQ-KBAYOESNSA-N 2 1 288.435 2.491 20 0 CEADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCCC2(CCCC2)C1 ZINC000903751588 635249066 /nfs/dbraw/zinc/24/90/66/635249066.db2.gz GYLYDDUEICNMRP-WBVHZDCISA-N 2 1 278.440 2.411 20 0 CEADMP CC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCC1 ZINC000903733631 635250837 /nfs/dbraw/zinc/25/08/37/635250837.db2.gz LTRJPICHVASQLP-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H](CC)CO1 ZINC000903762628 635257046 /nfs/dbraw/zinc/25/70/46/635257046.db2.gz BORUSZPDIINPDL-BZUAXINKSA-N 2 1 296.455 2.035 20 0 CEADMP c1ccc(C23CC(C2)C[N@@H+]3C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903767078 635258288 /nfs/dbraw/zinc/25/82/88/635258288.db2.gz TURSCVKMQTUHOI-PZZKWDHKSA-N 2 1 298.430 2.376 20 0 CEADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000903767188 635258353 /nfs/dbraw/zinc/25/83/53/635258353.db2.gz FDGDWDNDQSXSCZ-WBVHZDCISA-N 3 1 279.472 2.088 20 0 CEADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000903756105 635260657 /nfs/dbraw/zinc/26/06/57/635260657.db2.gz OXRLQBPNGKZHGE-GDBMZVCRSA-N 2 1 266.429 2.125 20 0 CEADMP CCc1noc([C@H](C)[NH+]2CCC(C(C)(C)C[NH3+])CC2)n1 ZINC000903790423 635262276 /nfs/dbraw/zinc/26/22/76/635262276.db2.gz IFOKIECIDGWGMQ-NSHDSACASA-N 2 1 280.416 2.390 20 0 CEADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCCC2(CC2)CC1 ZINC000903776826 635264372 /nfs/dbraw/zinc/26/43/72/635264372.db2.gz WPBNCJUCFWADOL-HOCLYGCPSA-N 2 1 264.413 2.021 20 0 CEADMP C[C@@H]1C[C@H](C)CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903786851 635269501 /nfs/dbraw/zinc/26/95/01/635269501.db2.gz PIQKDEDZGOMRAW-KLHDSHLOSA-N 2 1 266.429 2.123 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000903788014 635270039 /nfs/dbraw/zinc/27/00/39/635270039.db2.gz AFQJKSWKPGPRQY-GXTWGEPZSA-N 2 1 264.417 2.189 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@H]2CCCC[NH2+]C2)CCC1 ZINC000903810357 635284835 /nfs/dbraw/zinc/28/48/35/635284835.db2.gz BKEWTYLTVQHRHC-HOTGVXAUSA-N 3 1 279.472 2.360 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@H]2CCCC[NH2+]C2)CCC1 ZINC000903810357 635284841 /nfs/dbraw/zinc/28/48/41/635284841.db2.gz BKEWTYLTVQHRHC-HOTGVXAUSA-N 3 1 279.472 2.360 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCC2CC[NH2+]CC2)CCC1 ZINC000903811586 635285998 /nfs/dbraw/zinc/28/59/98/635285998.db2.gz NMLWLZUYCNURHO-INIZCTEOSA-N 3 1 279.472 2.360 20 0 CEADMP NCC1([C@@H]2CCCC[N@@H+]2CCC2CC[NH2+]CC2)CCC1 ZINC000903811586 635286003 /nfs/dbraw/zinc/28/60/03/635286003.db2.gz NMLWLZUYCNURHO-INIZCTEOSA-N 2 1 279.472 2.360 20 0 CEADMP NCC1([C@@H]2CCCC[N@H+]2CCC2CC[NH2+]CC2)CCC1 ZINC000903811586 635286007 /nfs/dbraw/zinc/28/60/07/635286007.db2.gz NMLWLZUYCNURHO-INIZCTEOSA-N 2 1 279.472 2.360 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCO[C@@H]2CC2(F)F)CCC1 ZINC000903813224 635287900 /nfs/dbraw/zinc/28/79/00/635287900.db2.gz ZIGHBYRTWABYEW-CHWSQXEVSA-N 2 1 288.382 2.394 20 0 CEADMP C[C@]12C[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903827181 635294555 /nfs/dbraw/zinc/29/45/55/635294555.db2.gz PVPWJMWIOUCHLJ-SHRADXDESA-N 2 1 290.451 2.123 20 0 CEADMP FCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903833444 635296722 /nfs/dbraw/zinc/29/67/22/635296722.db2.gz WRQXYLIDGRKNNK-VEDBGLOESA-N 2 1 296.430 2.358 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc3c(c(Cl)c1)OCO3)C2 ZINC000903848950 635303329 /nfs/dbraw/zinc/30/33/29/635303329.db2.gz VIRYJOQSONEPDL-WCQGTBRESA-N 2 1 294.782 2.380 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)C2 ZINC000903848950 635303334 /nfs/dbraw/zinc/30/33/34/635303334.db2.gz VIRYJOQSONEPDL-WCQGTBRESA-N 2 1 294.782 2.380 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2Cc1ccc2c(c1)CCC2 ZINC000903857625 635309355 /nfs/dbraw/zinc/30/93/55/635309355.db2.gz VWWVDOFLEKMJFQ-DLBZAZTESA-N 2 1 256.393 2.489 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2Cc1ccc2c(c1)CCC2 ZINC000903857625 635309361 /nfs/dbraw/zinc/30/93/61/635309361.db2.gz VWWVDOFLEKMJFQ-DLBZAZTESA-N 2 1 256.393 2.489 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCCOCc1ccccc1 ZINC000903859336 635310950 /nfs/dbraw/zinc/31/09/50/635310950.db2.gz MOQGSJGMNFGRDX-SJORKVTESA-N 2 1 274.408 2.407 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCCOCc1ccccc1 ZINC000903859336 635310959 /nfs/dbraw/zinc/31/09/59/635310959.db2.gz MOQGSJGMNFGRDX-SJORKVTESA-N 2 1 274.408 2.407 20 0 CEADMP CO[C@@H](C[N@@H+]1CCC[C@]12CC[NH2+]C2)C1CCCCC1 ZINC000903871358 635319818 /nfs/dbraw/zinc/31/98/18/635319818.db2.gz SNJHEATXBJLZJQ-JKSUJKDBSA-N 2 1 266.429 2.410 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@]12CC[NH2+]C2)C1CCCCC1 ZINC000903871358 635319823 /nfs/dbraw/zinc/31/98/23/635319823.db2.gz SNJHEATXBJLZJQ-JKSUJKDBSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)C[C@H]1CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903884051 635326618 /nfs/dbraw/zinc/32/66/18/635326618.db2.gz PZGPMLPKMUHMFW-CABCVRRESA-N 2 1 291.443 2.213 20 0 CEADMP CC(C)(C)C[N@@H+](CCCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903892819 635328975 /nfs/dbraw/zinc/32/89/75/635328975.db2.gz XINHXFYMJHGAFG-GOOCMWNKSA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@]1(C)CCC[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903895025 635331196 /nfs/dbraw/zinc/33/11/96/635331196.db2.gz JTDDHEBRDDOSQB-DOTOQJQBSA-N 2 1 292.471 2.358 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCC[C@H]2C(C)C)cnn1C ZINC000903895602 635331493 /nfs/dbraw/zinc/33/14/93/635331493.db2.gz OTCATNQGNZDDTC-RDJZCZTQSA-N 2 1 292.471 2.356 20 0 CEADMP [NH3+][C@H](C[NH2+][C@H]1CCc2c1cccc2F)CC(F)F ZINC000903926984 635354212 /nfs/dbraw/zinc/35/42/12/635354212.db2.gz WMLLTCPVNOQUGZ-UFBFGSQYSA-N 2 1 258.287 2.385 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1cccc(Cn2cccn2)c1)CC(F)F ZINC000903927029 635354379 /nfs/dbraw/zinc/35/43/79/635354379.db2.gz WVOFZSQHZLNKSB-AWEZNQCLSA-N 2 1 294.349 2.004 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903937475 635361912 /nfs/dbraw/zinc/36/19/12/635361912.db2.gz LXELAVWWUADMBQ-WZYMTQMTSA-N 2 1 294.439 2.182 20 0 CEADMP CC(C)(C)[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1O ZINC000903916590 635364691 /nfs/dbraw/zinc/36/46/91/635364691.db2.gz TYLBIYCMAXSKAK-BMRXWSCTSA-N 2 1 280.456 2.246 20 0 CEADMP C(C[NH2+]C1CCCCCC1)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903915987 635365385 /nfs/dbraw/zinc/36/53/85/635365385.db2.gz DVRAXVXWHVPWLX-ZXFUBFMLSA-N 2 1 279.472 2.419 20 0 CEADMP C(C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC1CCCCCC1 ZINC000903915987 635365390 /nfs/dbraw/zinc/36/53/90/635365390.db2.gz DVRAXVXWHVPWLX-ZXFUBFMLSA-N 2 1 279.472 2.419 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959793 635369660 /nfs/dbraw/zinc/36/96/60/635369660.db2.gz OLJLESKEUCXBOX-AWEZNQCLSA-N 2 1 265.426 2.417 20 0 CEADMP Cc1ncsc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959793 635369662 /nfs/dbraw/zinc/36/96/62/635369662.db2.gz OLJLESKEUCXBOX-AWEZNQCLSA-N 2 1 265.426 2.417 20 0 CEADMP CCC(CC)C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974021 635392958 /nfs/dbraw/zinc/39/29/58/635392958.db2.gz SKYMYZKUUAXMHX-CQSZACIVSA-N 2 1 254.418 2.171 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2scnc2C2CC2)C[C@H]1CC[NH3+] ZINC000903977713 635394520 /nfs/dbraw/zinc/39/45/20/635394520.db2.gz AIAHEDGELNNPQX-ZYHUDNBSSA-N 2 1 265.426 2.437 20 0 CEADMP CC(C)(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903979990 635395941 /nfs/dbraw/zinc/39/59/41/635395941.db2.gz BEHZMWANKVPTST-IYBDPMFKSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)(C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903979990 635395946 /nfs/dbraw/zinc/39/59/46/635395946.db2.gz BEHZMWANKVPTST-IYBDPMFKSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)(C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903979990 635395954 /nfs/dbraw/zinc/39/59/54/635395954.db2.gz BEHZMWANKVPTST-IYBDPMFKSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964902 635398726 /nfs/dbraw/zinc/39/87/26/635398726.db2.gz XUFBXKVJVQVKHB-JTNHKYCSSA-N 2 1 252.789 2.469 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000903968011 635400891 /nfs/dbraw/zinc/40/08/91/635400891.db2.gz OXXBIJWCAZOXMK-XLMAVXFVSA-N 3 1 293.499 2.475 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903968461 635401061 /nfs/dbraw/zinc/40/10/61/635401061.db2.gz WPBUPAUHRGLXLK-LMSBXDPUSA-N 2 1 287.451 2.267 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903968461 635401069 /nfs/dbraw/zinc/40/10/69/635401069.db2.gz WPBUPAUHRGLXLK-LMSBXDPUSA-N 2 1 287.451 2.267 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904313037 635560159 /nfs/dbraw/zinc/56/01/59/635560159.db2.gz WTIFFYCGTWTXDM-KRWDZBQOSA-N 2 1 292.423 2.396 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000904316614 635562937 /nfs/dbraw/zinc/56/29/37/635562937.db2.gz QXCZKQNKKGFFOZ-ZACQAIPSSA-N 3 1 279.472 2.312 20 0 CEADMP [NH3+][C@H]1C[C@@H](CN2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000904316614 635562939 /nfs/dbraw/zinc/56/29/39/635562939.db2.gz QXCZKQNKKGFFOZ-ZACQAIPSSA-N 2 1 279.472 2.312 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000904326656 635572424 /nfs/dbraw/zinc/57/24/24/635572424.db2.gz PQIZTKCZYGMAJE-DZGCQCFKSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000904326656 635572426 /nfs/dbraw/zinc/57/24/26/635572426.db2.gz PQIZTKCZYGMAJE-DZGCQCFKSA-N 2 1 254.418 2.252 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1C ZINC000904341488 635578574 /nfs/dbraw/zinc/57/85/74/635578574.db2.gz SCFYOIYWRJTEIQ-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000904350028 635584231 /nfs/dbraw/zinc/58/42/31/635584231.db2.gz GDACTPHLEQKITN-HZPDHXFCSA-N 3 1 281.488 2.462 20 0 CEADMP c1cn(C2CC2)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000904350065 635584480 /nfs/dbraw/zinc/58/44/80/635584480.db2.gz GTMOUCLEODCJEA-UONOGXRCSA-N 2 1 274.412 2.040 20 0 CEADMP CC(C)(C)CC[C@@H](N)C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000904355607 635587793 /nfs/dbraw/zinc/58/77/93/635587793.db2.gz URPIDWFBRUOMOY-KGLIPLIRSA-N 2 1 255.450 2.262 20 0 CEADMP CC(C)(C)CC[C@@H](N)C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000904356708 635587872 /nfs/dbraw/zinc/58/78/72/635587872.db2.gz YHQASFKXGRLRGY-CYBMUJFWSA-N 2 1 255.450 2.119 20 0 CEADMP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000904385133 635606599 /nfs/dbraw/zinc/60/65/99/635606599.db2.gz TVGGXGWATGLZTM-FRRDWIJNSA-N 2 1 294.361 2.418 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000904385133 635606607 /nfs/dbraw/zinc/60/66/07/635606607.db2.gz TVGGXGWATGLZTM-FRRDWIJNSA-N 2 1 294.361 2.418 20 0 CEADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]([NH3+])C2)C1)C1CCCC1 ZINC000904384692 635607259 /nfs/dbraw/zinc/60/72/59/635607259.db2.gz MCUUTIWAZSTQIH-XJNFMUPTSA-N 3 1 279.472 2.343 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1F ZINC000904409646 635615452 /nfs/dbraw/zinc/61/54/52/635615452.db2.gz FHVKYKYXRJCDLV-NEPJUHHUSA-N 2 1 266.360 2.251 20 0 CEADMP C[C@H]1C[N@@H+](CC2=Cc3ccccc3OC2)CC[C@@H]1C[NH3+] ZINC000904409658 635615513 /nfs/dbraw/zinc/61/55/13/635615513.db2.gz FPOKWCXLRUPUJH-XJKSGUPXSA-N 2 1 272.392 2.379 20 0 CEADMP CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904410987 635619484 /nfs/dbraw/zinc/61/94/84/635619484.db2.gz IKWXURIHULGKPN-MNOVXSKESA-N 2 1 284.835 2.053 20 0 CEADMP CCc1noc([C@H]2CC[C@H]([NH2+]CC[NH2+]C(C)(C)C)C2)n1 ZINC000904428670 635624054 /nfs/dbraw/zinc/62/40/54/635624054.db2.gz OKXSPWIPUDAXDM-RYUDHWBXSA-N 2 1 280.416 2.246 20 0 CEADMP CCc1noc([C@@H]2CC[C@@H]([NH2+]CC[NH2+]C(C)(C)C)C2)n1 ZINC000904428671 635624320 /nfs/dbraw/zinc/62/43/20/635624320.db2.gz OKXSPWIPUDAXDM-VXGBXAGGSA-N 2 1 280.416 2.246 20 0 CEADMP Cn1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(-c2ccccc2)n1 ZINC000904420735 635631246 /nfs/dbraw/zinc/63/12/46/635631246.db2.gz VLXPUMTVAKDOJG-JKSUJKDBSA-N 2 1 296.418 2.128 20 0 CEADMP C[C@@H](Cc1ccccc1)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420437 635632024 /nfs/dbraw/zinc/63/20/24/635632024.db2.gz OPIQHSBAELUCCY-BHYGNILZSA-N 2 1 258.409 2.407 20 0 CEADMP CC[C@](O)(C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C(F)(F)F ZINC000905156624 635832463 /nfs/dbraw/zinc/83/24/63/635832463.db2.gz UYJFWMQNODFGPA-UTUOFQBUSA-N 2 1 282.350 2.152 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CCC1CCC(F)(F)CC1)C1CC1 ZINC000905678047 636391494 /nfs/dbraw/zinc/39/14/94/636391494.db2.gz HZUKVVNCLXVKLO-AWEZNQCLSA-N 2 1 290.398 2.247 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC1CCC(F)(F)CC1)C1CC1 ZINC000905678047 636391498 /nfs/dbraw/zinc/39/14/98/636391498.db2.gz HZUKVVNCLXVKLO-AWEZNQCLSA-N 2 1 290.398 2.247 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000906510780 636761716 /nfs/dbraw/zinc/76/17/16/636761716.db2.gz WVQJYZUENDXHIK-UHFFFAOYSA-N 2 1 273.149 2.168 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000908259105 637276860 /nfs/dbraw/zinc/27/68/60/637276860.db2.gz SNEMGPDPWHOGAP-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000908259105 637276862 /nfs/dbraw/zinc/27/68/62/637276862.db2.gz SNEMGPDPWHOGAP-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000908259105 637276864 /nfs/dbraw/zinc/27/68/64/637276864.db2.gz SNEMGPDPWHOGAP-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000908303304 637296397 /nfs/dbraw/zinc/29/63/97/637296397.db2.gz NOWJVAWYVPGRCM-OAGGEKHMSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908303304 637296400 /nfs/dbraw/zinc/29/64/00/637296400.db2.gz NOWJVAWYVPGRCM-OAGGEKHMSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908303304 637296403 /nfs/dbraw/zinc/29/64/03/637296403.db2.gz NOWJVAWYVPGRCM-OAGGEKHMSA-N 2 1 295.471 2.240 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000909077028 637609094 /nfs/dbraw/zinc/60/90/94/637609094.db2.gz ODUNPIMJSLMFOH-QZTJIDSGSA-N 2 1 288.435 2.150 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000909077028 637609100 /nfs/dbraw/zinc/60/91/00/637609100.db2.gz ODUNPIMJSLMFOH-QZTJIDSGSA-N 2 1 288.435 2.150 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000832778508 637668035 /nfs/dbraw/zinc/66/80/35/637668035.db2.gz SXJOZMHDZDVMJA-CABCVRRESA-N 2 1 283.460 2.132 20 0 CEADMP CC[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC000910281254 637975604 /nfs/dbraw/zinc/97/56/04/637975604.db2.gz IGHZXFDSTQWCOT-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC000910287089 637979481 /nfs/dbraw/zinc/97/94/81/637979481.db2.gz KGOSVKGPUPSPPH-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925485150 638338871 /nfs/dbraw/zinc/33/88/71/638338871.db2.gz BMBJNABUFZGZFQ-LSDHHAIUSA-N 2 1 265.445 2.125 20 0 CEADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)[nH]n1 ZINC000841089516 639653701 /nfs/dbraw/zinc/65/37/01/639653701.db2.gz HVALADSDROHBPI-SECBINFHSA-N 2 1 288.317 2.193 20 0 CEADMP CC(C)C[C@H]1CC(=O)N(C[N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000174076431 639895397 /nfs/dbraw/zinc/89/53/97/639895397.db2.gz GINMDEHKPMUPRS-INIZCTEOSA-N 2 1 295.471 2.112 20 0 CEADMP CC[C@@](O)(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(F)(F)F ZINC000929697038 640022440 /nfs/dbraw/zinc/02/24/40/640022440.db2.gz PXQQTXSCZSSMCD-CHWSQXEVSA-N 2 1 294.361 2.108 20 0 CEADMP CC[C@@](O)(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(F)(F)F ZINC000929697038 640022443 /nfs/dbraw/zinc/02/24/43/640022443.db2.gz PXQQTXSCZSSMCD-CHWSQXEVSA-N 2 1 294.361 2.108 20 0 CEADMP CCN1C[C@@H](C)[N@@H+](CCCCCCC[NH3+])C[C@H]1C ZINC000842476221 640075032 /nfs/dbraw/zinc/07/50/32/640075032.db2.gz JMJXCDOKALQXQK-HUUCEWRRSA-N 2 1 255.450 2.310 20 0 CEADMP CC[N@@H+]1C[C@@H](C)N(CCCCCCC[NH3+])C[C@H]1C ZINC000842476221 640075039 /nfs/dbraw/zinc/07/50/39/640075039.db2.gz JMJXCDOKALQXQK-HUUCEWRRSA-N 2 1 255.450 2.310 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(CCCCCCC[NH3+])C[C@H]1C ZINC000842476221 640075044 /nfs/dbraw/zinc/07/50/44/640075044.db2.gz JMJXCDOKALQXQK-HUUCEWRRSA-N 2 1 255.450 2.310 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC2(Cl)Cl)CC[N@H+]1C ZINC000877070606 650559100 /nfs/dbraw/zinc/55/91/00/650559100.db2.gz QTXSVDNKTRJVOR-UTLUCORTSA-N 2 1 251.201 2.253 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)[nH]c1C ZINC000877073890 650560380 /nfs/dbraw/zinc/56/03/80/650560380.db2.gz VBNZZBQIWNMKEK-TZMCWYRMSA-N 2 1 293.411 2.072 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000843046830 640251313 /nfs/dbraw/zinc/25/13/13/640251313.db2.gz BMAOVJFIDRVLBY-ZDUSSCGKSA-N 2 1 255.365 2.406 20 0 CEADMP COc1cccc2cc(C[N@H+]3CC[C@H](C[NH3+])C3)oc21 ZINC000843048245 640252892 /nfs/dbraw/zinc/25/28/92/640252892.db2.gz DYOAQZJUUDBYOX-LLVKDONJSA-N 2 1 260.337 2.222 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000843053490 640256547 /nfs/dbraw/zinc/25/65/47/640256547.db2.gz YYDVKIPGLWTFOM-GFCCVEGCSA-N 2 1 274.364 2.483 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000843053490 640256549 /nfs/dbraw/zinc/25/65/49/640256549.db2.gz YYDVKIPGLWTFOM-GFCCVEGCSA-N 2 1 274.364 2.483 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000843124450 640290473 /nfs/dbraw/zinc/29/04/73/640290473.db2.gz BCCXCFPEPBVZGM-HIFRSBDPSA-N 2 1 295.814 2.063 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)C[C@@H](C)[NH3+])cc1 ZINC000877102701 650573719 /nfs/dbraw/zinc/57/37/19/650573719.db2.gz LVGBPGGUSVFTTI-CQSZACIVSA-N 2 1 291.439 2.338 20 0 CEADMP C[N@@H+](CC(=O)N(C1CC1)C1CCCC1)C1CCC([NH3+])CC1 ZINC000843355674 640401489 /nfs/dbraw/zinc/40/14/89/640401489.db2.gz SWZZVZHZRUPSED-UHFFFAOYSA-N 2 1 293.455 2.122 20 0 CEADMP CCc1ccc2c(C[N@H+](C)C3CC([NH3+])C3)cc(=O)oc2c1 ZINC000843387429 640413577 /nfs/dbraw/zinc/41/35/77/640413577.db2.gz IMMFZKIWKVOXDJ-UHFFFAOYSA-N 2 1 286.375 2.277 20 0 CEADMP CCc1ccc2c(C[N@@H+](C)C3CC([NH3+])C3)cc(=O)oc2c1 ZINC000843387429 640413586 /nfs/dbraw/zinc/41/35/86/640413586.db2.gz IMMFZKIWKVOXDJ-UHFFFAOYSA-N 2 1 286.375 2.277 20 0 CEADMP CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993316729 640595715 /nfs/dbraw/zinc/59/57/15/640595715.db2.gz RTHGQVCBBIZVCI-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)c1ccc2c[nH+]cn2c1 ZINC000845737188 641068194 /nfs/dbraw/zinc/06/81/94/641068194.db2.gz WRJBEWJWFQBDGV-CQSZACIVSA-N 2 1 287.363 2.364 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@](C)(O)c2ccccc2)CC1 ZINC000846033960 641158272 /nfs/dbraw/zinc/15/82/72/641158272.db2.gz CBBSACGWXYXJLS-PBHICJAKSA-N 2 1 276.424 2.357 20 0 CEADMP COc1cccc(NC(=O)C[N@@H+](C)CCCCCC[NH3+])c1 ZINC000846217167 641225990 /nfs/dbraw/zinc/22/59/90/641225990.db2.gz BQUITAQPJDDOJW-UHFFFAOYSA-N 2 1 293.411 2.085 20 0 CEADMP C[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@@H](C(F)(F)F)O1 ZINC000846219207 641227488 /nfs/dbraw/zinc/22/74/88/641227488.db2.gz KKMFCWNXOYJIJE-MNOVXSKESA-N 2 1 268.323 2.157 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@@H](C(F)(F)F)O1 ZINC000846219207 641227491 /nfs/dbraw/zinc/22/74/91/641227491.db2.gz KKMFCWNXOYJIJE-MNOVXSKESA-N 2 1 268.323 2.157 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000846220047 641229244 /nfs/dbraw/zinc/22/92/44/641229244.db2.gz KAOFWJRBDUUOJM-UHFFFAOYSA-N 2 1 299.422 2.280 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000846220047 641229246 /nfs/dbraw/zinc/22/92/46/641229246.db2.gz KAOFWJRBDUUOJM-UHFFFAOYSA-N 2 1 299.422 2.280 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000846221503 641230849 /nfs/dbraw/zinc/23/08/49/641230849.db2.gz ZIOSOPOGNSMYHX-AWEZNQCLSA-N 2 1 291.443 2.312 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000846224348 641233064 /nfs/dbraw/zinc/23/30/64/641233064.db2.gz VCJGAMQRKZRTAQ-INIZCTEOSA-N 2 1 295.471 2.276 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877259100 650645527 /nfs/dbraw/zinc/64/55/27/650645527.db2.gz YLJKCSUYEVUIJC-YOEHRIQHSA-N 2 1 295.471 2.084 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)C1CCOCC1 ZINC000846878440 641464785 /nfs/dbraw/zinc/46/47/85/641464785.db2.gz DHYGIIUKDYZQJU-UHFFFAOYSA-N 2 1 265.401 2.148 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000847014293 641520803 /nfs/dbraw/zinc/52/08/03/641520803.db2.gz QGIANJUBFBJMLR-ZDUSSCGKSA-N 2 1 269.339 2.474 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000847014293 641520810 /nfs/dbraw/zinc/52/08/10/641520810.db2.gz QGIANJUBFBJMLR-ZDUSSCGKSA-N 2 1 269.339 2.474 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252860982 641590721 /nfs/dbraw/zinc/59/07/21/641590721.db2.gz NFNXLBMVQUYUTF-YHUYYLMFSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@H]1C[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)C[N@H+]1C1CC1 ZINC000184244333 641846579 /nfs/dbraw/zinc/84/65/79/641846579.db2.gz YQPQRZDOOSVPDQ-UONOGXRCSA-N 2 1 293.455 2.027 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCOC1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185726245 642020668 /nfs/dbraw/zinc/02/06/68/642020668.db2.gz GWGGLOREUNLEAY-RRFJBIMHSA-N 2 1 294.439 2.182 20 0 CEADMP CSCC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848529912 642036208 /nfs/dbraw/zinc/03/62/08/642036208.db2.gz ZZEHIRPWNADDCU-HIFRSBDPSA-N 2 1 286.485 2.361 20 0 CEADMP CN(C)C(=[NH+]C[C@@H](c1ccc(Cl)cc1)[NH+](C)C)N(C)C ZINC000083052876 642041475 /nfs/dbraw/zinc/04/14/75/642041475.db2.gz SQIWTLROXZMJSE-AWEZNQCLSA-N 2 1 296.846 2.422 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000921523206 642191378 /nfs/dbraw/zinc/19/13/78/642191378.db2.gz GMAWUODKJNVVTN-UONOGXRCSA-N 2 1 274.474 2.219 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921537884 642214137 /nfs/dbraw/zinc/21/41/37/642214137.db2.gz ZPXNWTKAOSSJQQ-AWEZNQCLSA-N 2 1 277.412 2.389 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC2=[NH+]CCCN2C)C1 ZINC000848997301 642216833 /nfs/dbraw/zinc/21/68/33/642216833.db2.gz WSNVJGKIRVZKGL-OKILXGFUSA-N 2 1 280.460 2.024 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000921554918 642234400 /nfs/dbraw/zinc/23/44/00/642234400.db2.gz CODMFTVPXVTSDC-UHFFFAOYSA-N 2 1 286.335 2.218 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC(C)(F)F ZINC000849033263 642245119 /nfs/dbraw/zinc/24/51/19/642245119.db2.gz ZOYSFLWSQLRBBG-NSHDSACASA-N 2 1 276.375 2.020 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C1CCC1 ZINC000849037040 642248164 /nfs/dbraw/zinc/24/81/64/642248164.db2.gz KCFZYENXYWBRBX-AWEZNQCLSA-N 2 1 280.460 2.411 20 0 CEADMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])N2CCCCCC2)C1 ZINC000849041916 642252563 /nfs/dbraw/zinc/25/25/63/642252563.db2.gz ZVSFUOANLQIOES-AWEZNQCLSA-N 2 1 266.433 2.119 20 0 CEADMP CC[N@@H+](CCCNC1=[NH+]CCCN1C)C1CCCCC1 ZINC000849047307 642256640 /nfs/dbraw/zinc/25/66/40/642256640.db2.gz UNOUJRBRIDKXBQ-UHFFFAOYSA-N 2 1 280.460 2.312 20 0 CEADMP Cc1[nH+]cc(CNc2ccc(OCC[NH+](C)C)cc2)n1C ZINC000850142930 642593220 /nfs/dbraw/zinc/59/32/20/642593220.db2.gz FFHGUWMXAISINV-UHFFFAOYSA-N 2 1 288.395 2.281 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cnn(CC3CCC3)c2)CCN1C ZINC000921781155 642611579 /nfs/dbraw/zinc/61/15/79/642611579.db2.gz XEMFODNBQRMCLU-CZUORRHYSA-N 2 1 276.428 2.256 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cnn(CC3CCC3)c2)CCN1C ZINC000921781156 642611889 /nfs/dbraw/zinc/61/18/89/642611889.db2.gz XEMFODNBQRMCLU-XJKSGUPXSA-N 2 1 276.428 2.256 20 0 CEADMP FCCn1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cn1 ZINC000921815416 642679740 /nfs/dbraw/zinc/67/97/40/642679740.db2.gz HSKMGQFSJYIRFC-UHFFFAOYSA-N 2 1 294.418 2.349 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921818493 642681918 /nfs/dbraw/zinc/68/19/18/642681918.db2.gz ONNUZEFMEAPAOQ-STQMWFEESA-N 2 1 289.379 2.496 20 0 CEADMP CC[C@@H]1C[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000850396155 642700417 /nfs/dbraw/zinc/70/04/17/642700417.db2.gz HJETWUJJRURFLQ-DJIMGWMZSA-N 2 1 296.455 2.035 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC1=CC[N@@H+](C(C)C)CC1 ZINC001001473258 642723431 /nfs/dbraw/zinc/72/34/31/642723431.db2.gz ZTKWUTMGCYPIEG-MRXNPFEDSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC1=CC[N@H+](C(C)C)CC1 ZINC001001473258 642723438 /nfs/dbraw/zinc/72/34/38/642723438.db2.gz ZTKWUTMGCYPIEG-MRXNPFEDSA-N 2 1 293.455 2.018 20 0 CEADMP CON(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000850480178 642727223 /nfs/dbraw/zinc/72/72/23/642727223.db2.gz MCPNIBBOFBSEJX-WBVHZDCISA-N 2 1 291.439 2.122 20 0 CEADMP CON(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000850480178 642727227 /nfs/dbraw/zinc/72/72/27/642727227.db2.gz MCPNIBBOFBSEJX-WBVHZDCISA-N 2 1 291.439 2.122 20 0 CEADMP CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001001535245 642728871 /nfs/dbraw/zinc/72/88/71/642728871.db2.gz SNAGBKJTNLOKEN-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@]23OCCC[C@H]2C3(F)F)CC1 ZINC000850535455 642745169 /nfs/dbraw/zinc/74/51/69/642745169.db2.gz XQGDXLNCURIUSU-KGLIPLIRSA-N 2 1 288.382 2.263 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccs1)C2 ZINC000922385412 643057539 /nfs/dbraw/zinc/05/75/39/643057539.db2.gz BGXISFZKGQTZAF-WCVJEAGWSA-N 2 1 294.464 2.317 20 0 CEADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC(C)C)C2)[C@H]1C(C)C ZINC000922391298 643058711 /nfs/dbraw/zinc/05/87/11/643058711.db2.gz BIIVMCIKOGPOSZ-KLHDSHLOSA-N 2 1 268.445 2.102 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851791130 643163410 /nfs/dbraw/zinc/16/34/10/643163410.db2.gz UHEDLHBVDZWJCH-CABCVRRESA-N 2 1 284.444 2.192 20 0 CEADMP C[N@H+]1CCCC12CCN(CC[C@@H]1COC(C)(C)O1)CC2 ZINC000851891020 643211926 /nfs/dbraw/zinc/21/19/26/643211926.db2.gz ZTIUCXQSQJKNMW-CQSZACIVSA-N 2 1 282.428 2.088 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CC[C@@H]1COC(C)(C)O1)CC2 ZINC000851891020 643211928 /nfs/dbraw/zinc/21/19/28/643211928.db2.gz ZTIUCXQSQJKNMW-CQSZACIVSA-N 2 1 282.428 2.088 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CC[C@@H]1COC(C)(C)O1)CC2 ZINC000851891020 643211932 /nfs/dbraw/zinc/21/19/32/643211932.db2.gz ZTIUCXQSQJKNMW-CQSZACIVSA-N 2 1 282.428 2.088 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922732284 643236358 /nfs/dbraw/zinc/23/63/58/643236358.db2.gz TXWXLQRDHNZWJW-NNYUYHANSA-N 2 1 262.319 2.401 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)C[NH+](C)C ZINC000922753864 643244376 /nfs/dbraw/zinc/24/43/76/643244376.db2.gz RUPDUZLCIHJJEM-LSDHHAIUSA-N 2 1 284.444 2.035 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCSC3(CCC3)C2)CC1 ZINC000922843866 643290002 /nfs/dbraw/zinc/29/00/02/643290002.db2.gz YYTOLUHPVXAIBX-ZDUSSCGKSA-N 2 1 254.443 2.489 20 0 CEADMP CC1(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)CCCC1 ZINC000877639579 650829401 /nfs/dbraw/zinc/82/94/01/650829401.db2.gz BVWMVBVKYRXGRV-HNNXBMFYSA-N 2 1 266.429 2.098 20 0 CEADMP [NH3+]C1CC[NH+](CCNc2nccc3ccccc32)CC1 ZINC000321523225 643328431 /nfs/dbraw/zinc/32/84/31/643328431.db2.gz HTSTZAOOUVBHEQ-UHFFFAOYSA-N 2 1 270.380 2.070 20 0 CEADMP COc1cnc(F)c(CNC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000877653346 650834882 /nfs/dbraw/zinc/83/48/82/650834882.db2.gz HSUXZBLGYMZIJQ-LBPRGKRZSA-N 2 1 281.375 2.051 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322594012 643436302 /nfs/dbraw/zinc/43/63/02/643436302.db2.gz KMRJXJVBIMOTSV-HLVVYCRESA-N 2 1 262.401 2.004 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322594012 643436312 /nfs/dbraw/zinc/43/63/12/643436312.db2.gz KMRJXJVBIMOTSV-HLVVYCRESA-N 2 1 262.401 2.004 20 0 CEADMP C[C@H]1CCC[C@@H](CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000877669628 650842234 /nfs/dbraw/zinc/84/22/34/650842234.db2.gz RHBGQZNPSWYJSI-BSDSXHPESA-N 2 1 295.515 2.484 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@]23C[C@H]2CCC3)s1 ZINC000922964805 643483773 /nfs/dbraw/zinc/48/37/73/643483773.db2.gz VFMOOQNVYZMTOL-RISCZKNCSA-N 2 1 265.426 2.485 20 0 CEADMP O[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000922989638 643498636 /nfs/dbraw/zinc/49/86/36/643498636.db2.gz VKYFXVFMNRCLCW-ONIAQPFYSA-N 2 1 286.419 2.251 20 0 CEADMP O[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922989638 643498640 /nfs/dbraw/zinc/49/86/40/643498640.db2.gz VKYFXVFMNRCLCW-ONIAQPFYSA-N 2 1 286.419 2.251 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000852760672 643540544 /nfs/dbraw/zinc/54/05/44/643540544.db2.gz LJZUFORUYXGFFU-HNNXBMFYSA-N 2 1 254.418 2.398 20 0 CEADMP Cc1cn[nH]c1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684649 650849443 /nfs/dbraw/zinc/84/94/43/650849443.db2.gz RPTPJODPYIPDJG-UHFFFAOYSA-N 2 1 262.401 2.026 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC2SCCS2)C1 ZINC000853022884 643624459 /nfs/dbraw/zinc/62/44/59/643624459.db2.gz GQPKUDHXOBPDOC-NSHDSACASA-N 2 1 260.472 2.114 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC3SCCS3)C[C@H]21 ZINC000853023073 643624873 /nfs/dbraw/zinc/62/48/73/643624873.db2.gz MOAMGKBAUYOVIM-IJLUTSLNSA-N 2 1 272.483 2.242 20 0 CEADMP C[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000923279028 643636065 /nfs/dbraw/zinc/63/60/65/643636065.db2.gz AYCXXHIGQACIDB-IBGZPJMESA-N 2 1 298.430 2.427 20 0 CEADMP O[C@H](CC1CCCC1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923280304 643637102 /nfs/dbraw/zinc/63/71/02/643637102.db2.gz HFNCQXVAPFYEIX-MRXNPFEDSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC000853063137 643641539 /nfs/dbraw/zinc/64/15/39/643641539.db2.gz YXJWPYCYTMUMGG-BFYDXBDKSA-N 2 1 291.439 2.073 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000923289289 643641841 /nfs/dbraw/zinc/64/18/41/643641841.db2.gz ONBNKUMZJKTODP-OCCSQVGLSA-N 2 1 250.361 2.427 20 0 CEADMP CCCC[N@@H+](CCO)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923300221 643645469 /nfs/dbraw/zinc/64/54/69/643645469.db2.gz OGUAMPNGABHBHH-GOOCMWNKSA-N 2 1 254.418 2.002 20 0 CEADMP Cc1ccccc1OC[C@@H](O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000923296096 643647035 /nfs/dbraw/zinc/64/70/35/643647035.db2.gz CAUBOZGWNHBGOU-HOTGVXAUSA-N 2 1 294.439 2.040 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1)C1CCC([NH3+])CC1 ZINC000923295351 643647369 /nfs/dbraw/zinc/64/73/69/643647369.db2.gz YHVATDQKKKZLOF-NRXISQOPSA-N 2 1 266.360 2.061 20 0 CEADMP C[N@H+](Cc1cc2ccccc2o1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316678 643655612 /nfs/dbraw/zinc/65/56/12/643655612.db2.gz MLACPIFFAHCNSJ-OAHLLOKOSA-N 2 1 286.375 2.243 20 0 CEADMP O[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000923329901 643660709 /nfs/dbraw/zinc/66/07/09/643660709.db2.gz QYHFMLGHPFKWOP-RCCFBDPRSA-N 2 1 288.435 2.054 20 0 CEADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)c1 ZINC000923326631 643664778 /nfs/dbraw/zinc/66/47/78/643664778.db2.gz MSRRCWCBCGYGGU-HNNXBMFYSA-N 2 1 288.439 2.266 20 0 CEADMP CC[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000923334996 643666805 /nfs/dbraw/zinc/66/68/05/643666805.db2.gz HSKHSLTWZQUPMQ-CJNGLKHVSA-N 2 1 298.377 2.462 20 0 CEADMP CC[N@@H+](C[C@@H](O)c1ccc(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000923334330 643666889 /nfs/dbraw/zinc/66/68/89/643666889.db2.gz CBVNDNTZENIGRK-CZUORRHYSA-N 2 1 298.377 2.462 20 0 CEADMP CCCCCC[C@H](O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923336157 643667954 /nfs/dbraw/zinc/66/79/54/643667954.db2.gz VXFCMNBJXXZUTQ-GJZGRUSLSA-N 2 1 256.434 2.392 20 0 CEADMP CC[N@@H+](C[C@H](O)CCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000923337014 643668894 /nfs/dbraw/zinc/66/88/94/643668894.db2.gz WSEBPXFSXDJSGU-QZTJIDSGSA-N 2 1 290.451 2.444 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000923363482 643679551 /nfs/dbraw/zinc/67/95/51/643679551.db2.gz ZJAQZRKAXDXWHF-GVDBMIGSSA-N 2 1 274.408 2.042 20 0 CEADMP Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)c(C)c1 ZINC000923368204 643681799 /nfs/dbraw/zinc/68/17/99/643681799.db2.gz NOWCXQSUELEOON-HOCLYGCPSA-N 2 1 294.439 2.006 20 0 CEADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000923397044 643695423 /nfs/dbraw/zinc/69/54/23/643695423.db2.gz BGOLFGXSXPFLJV-ZNMIVQPWSA-N 2 1 264.413 2.020 20 0 CEADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000923397043 643695489 /nfs/dbraw/zinc/69/54/89/643695489.db2.gz BGOLFGXSXPFLJV-KKUMJFAQSA-N 2 1 264.413 2.020 20 0 CEADMP Cc1ccc([C@@H](O)C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000923410468 643699793 /nfs/dbraw/zinc/69/97/93/643699793.db2.gz IEAMQCNQVXQLJE-CVEARBPZSA-N 2 1 262.397 2.232 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000923410468 643699800 /nfs/dbraw/zinc/69/98/00/643699800.db2.gz IEAMQCNQVXQLJE-CVEARBPZSA-N 2 1 262.397 2.232 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)sn1 ZINC000923413722 643701633 /nfs/dbraw/zinc/70/16/33/643701633.db2.gz HERKFGCXLZLPAZ-AWEZNQCLSA-N 2 1 283.441 2.349 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)sn1 ZINC000923413722 643701634 /nfs/dbraw/zinc/70/16/34/643701634.db2.gz HERKFGCXLZLPAZ-AWEZNQCLSA-N 2 1 283.441 2.349 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000923415191 643702022 /nfs/dbraw/zinc/70/20/22/643702022.db2.gz OZDMVBYHXVVQLE-WBVHZDCISA-N 2 1 276.424 2.417 20 0 CEADMP CC[C@H](O)C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000923426200 643705539 /nfs/dbraw/zinc/70/55/39/643705539.db2.gz NUPJOANVAKYQIK-VNQPRFMTSA-N 2 1 268.445 2.377 20 0 CEADMP C(C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923428728 643706904 /nfs/dbraw/zinc/70/69/04/643706904.db2.gz QNZCRWBBXYMJQV-QPBSCJPLSA-N 2 1 278.440 2.408 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCn2nc(C(F)(F)F)cc2C1 ZINC000923445251 643713500 /nfs/dbraw/zinc/71/35/00/643713500.db2.gz CNMDSNMMOUSHFI-UHFFFAOYSA-N 2 1 290.333 2.237 20 0 CEADMP CCc1nc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cs1 ZINC000923450989 643720959 /nfs/dbraw/zinc/72/09/59/643720959.db2.gz KEKBGXITFUJINQ-CYBMUJFWSA-N 2 1 295.452 2.035 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000923478379 643729165 /nfs/dbraw/zinc/72/91/65/643729165.db2.gz BDZIGEITCZXAEE-SNVBAGLBSA-N 2 1 284.306 2.179 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)cc1C ZINC000923486957 643730202 /nfs/dbraw/zinc/73/02/02/643730202.db2.gz VXYSUXWXMGVDLK-LSDHHAIUSA-N 2 1 289.423 2.301 20 0 CEADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000923481979 643731849 /nfs/dbraw/zinc/73/18/49/643731849.db2.gz VTSISAIJAUVTON-LLVKDONJSA-N 2 1 296.798 2.297 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000923485216 643732780 /nfs/dbraw/zinc/73/27/80/643732780.db2.gz QPHSMSNTBGFXSV-HUUCEWRRSA-N 2 1 289.423 2.301 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC[C@@H]1C[NH3+] ZINC000923491887 643736179 /nfs/dbraw/zinc/73/61/79/643736179.db2.gz KFOWJMNHRYTPEL-NJMOYASZSA-N 2 1 258.356 2.194 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC(C)(C)CO2)CC[C@@H]1C[NH3+] ZINC000923492121 643736337 /nfs/dbraw/zinc/73/63/37/643736337.db2.gz WBXPQANINJSXJD-MGPQQGTHSA-N 2 1 254.418 2.108 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)CC[C@@H]1C[NH3+] ZINC000923493685 643737390 /nfs/dbraw/zinc/73/73/90/643737390.db2.gz TUTGCPTXEXFJGA-MCIONIFRSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)O2)CC[C@@H]1C[NH3+] ZINC000923493686 643737532 /nfs/dbraw/zinc/73/75/32/643737532.db2.gz TUTGCPTXEXFJGA-MGPQQGTHSA-N 2 1 254.418 2.251 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000923494581 643738741 /nfs/dbraw/zinc/73/87/41/643738741.db2.gz YBSNIHLXWYNCAF-MRXNPFEDSA-N 2 1 295.471 2.134 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502717 643739184 /nfs/dbraw/zinc/73/91/84/643739184.db2.gz YNOOYYOLWDUZJF-HUUCEWRRSA-N 2 1 262.397 2.291 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923502997 643740001 /nfs/dbraw/zinc/74/00/01/643740001.db2.gz FWMBDQGNHPZRLI-QLFBSQMISA-N 2 1 289.423 2.239 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc(-c3ccsc3)no2)CC[C@@H]1C[NH3+] ZINC000923498239 643741296 /nfs/dbraw/zinc/74/12/96/643741296.db2.gz GRRHEMQEVDDQGX-GHMZBOCLSA-N 2 1 292.408 2.215 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)CC[C@@H]1C[NH3+] ZINC000923498862 643741340 /nfs/dbraw/zinc/74/13/40/643741340.db2.gz QMFCEJIZJMTYFC-GXTWGEPZSA-N 2 1 285.391 2.357 20 0 CEADMP c1c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)onc1-c1ccccc1 ZINC000923517290 643748097 /nfs/dbraw/zinc/74/80/97/643748097.db2.gz CMSGSSTZRIMWSP-LSDHHAIUSA-N 2 1 283.375 2.383 20 0 CEADMP c1c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)onc1-c1ccccc1 ZINC000923517290 643748101 /nfs/dbraw/zinc/74/81/01/643748101.db2.gz CMSGSSTZRIMWSP-LSDHHAIUSA-N 2 1 283.375 2.383 20 0 CEADMP c1ccc(COCCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923521522 643749464 /nfs/dbraw/zinc/74/94/64/643749464.db2.gz NLIFGAAECZQPHO-DLBZAZTESA-N 2 1 274.408 2.135 20 0 CEADMP COC[C@@H](C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C(C)C ZINC000923531146 643753224 /nfs/dbraw/zinc/75/32/24/643753224.db2.gz PPGHXECESRXLCD-HUUCEWRRSA-N 2 1 254.418 2.123 20 0 CEADMP CCO[C@@H](C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C1CC1 ZINC000923533964 643754326 /nfs/dbraw/zinc/75/43/26/643754326.db2.gz PNUXEEZCWFHPHY-LSDHHAIUSA-N 2 1 252.402 2.020 20 0 CEADMP CCO[C@@H](C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C1CC1 ZINC000923533964 643754329 /nfs/dbraw/zinc/75/43/29/643754329.db2.gz PNUXEEZCWFHPHY-LSDHHAIUSA-N 2 1 252.402 2.020 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@]3(C2)CCCC[NH2+]3)c1C ZINC000923536327 643754825 /nfs/dbraw/zinc/75/48/25/643754825.db2.gz OSRPTTCJURSADP-QGZVFWFLSA-N 2 1 289.423 2.425 20 0 CEADMP CC(C)C[C@H]1CN(C)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000923553338 643758672 /nfs/dbraw/zinc/75/86/72/643758672.db2.gz HJWXGHIIKCMNPY-HOTGVXAUSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)C[C@@H]1CN(C)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000923553340 643760162 /nfs/dbraw/zinc/76/01/62/643760162.db2.gz HJWXGHIIKCMNPY-JKSUJKDBSA-N 2 1 267.461 2.038 20 0 CEADMP c1cc(C[N@@H+]2CCOC[C@H]2CC2CC2)c2c(c1)C[NH2+]CC2 ZINC000923555207 643760849 /nfs/dbraw/zinc/76/08/49/643760849.db2.gz RFKUWSSPSMMHGU-QGZVFWFLSA-N 2 1 286.419 2.333 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000111617875 643909566 /nfs/dbraw/zinc/90/95/66/643909566.db2.gz XIEHCVULFDLMOQ-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000111617875 643909567 /nfs/dbraw/zinc/90/95/67/643909567.db2.gz XIEHCVULFDLMOQ-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000111617875 643909570 /nfs/dbraw/zinc/90/95/70/643909570.db2.gz XIEHCVULFDLMOQ-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP COCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877742967 650888061 /nfs/dbraw/zinc/88/80/61/650888061.db2.gz HRJIVAKNVWXYIJ-IRXDYDNUSA-N 2 1 274.408 2.359 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877742967 650888063 /nfs/dbraw/zinc/88/80/63/650888063.db2.gz HRJIVAKNVWXYIJ-IRXDYDNUSA-N 2 1 274.408 2.359 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877742967 650888066 /nfs/dbraw/zinc/88/80/66/650888066.db2.gz HRJIVAKNVWXYIJ-IRXDYDNUSA-N 2 1 274.408 2.359 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877742967 650888068 /nfs/dbraw/zinc/88/80/68/650888068.db2.gz HRJIVAKNVWXYIJ-IRXDYDNUSA-N 2 1 274.408 2.359 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C1CC1 ZINC000838934918 644090844 /nfs/dbraw/zinc/09/08/44/644090844.db2.gz BUAJJBJHIARZOL-FHLIZLRMSA-N 2 1 288.435 2.258 20 0 CEADMP Cc1cc([C@@](C)(O)C[NH2+]C2CC[NH+](C3CC3)CC2)c(C)o1 ZINC000838963713 644098159 /nfs/dbraw/zinc/09/81/59/644098159.db2.gz XWFJHOCWVRVYEF-KRWDZBQOSA-N 2 1 292.423 2.320 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000838973368 644104048 /nfs/dbraw/zinc/10/40/48/644104048.db2.gz YXEVPIBFHRTGRE-STQMWFEESA-N 2 1 270.417 2.038 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000839183055 644182751 /nfs/dbraw/zinc/18/27/51/644182751.db2.gz SMDWGSGUTPZLAZ-INIZCTEOSA-N 2 1 296.455 2.241 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2C[C@@H]2C)cn1 ZINC000754131305 644328861 /nfs/dbraw/zinc/32/88/61/644328861.db2.gz VHZIRMBTHMWBNH-SMDDNHRTSA-N 2 1 256.353 2.321 20 0 CEADMP CC(C)C[C@H](C[NH+](C)C)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925490928 644743122 /nfs/dbraw/zinc/74/31/22/644743122.db2.gz PGVKJLSHQJDNAZ-SOUVJXGZSA-N 2 1 269.477 2.458 20 0 CEADMP CC[NH+](CC)CCCNc1nc(N2CCCC2)cc[nH+]1 ZINC000757759678 644844541 /nfs/dbraw/zinc/84/45/41/644844541.db2.gz KFLTXNPPMMWLHG-UHFFFAOYSA-N 2 1 277.416 2.221 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000758204331 644899488 /nfs/dbraw/zinc/89/94/88/644899488.db2.gz WNGUAUVMMVYACL-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000758204331 644899490 /nfs/dbraw/zinc/89/94/90/644899490.db2.gz WNGUAUVMMVYACL-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000758204331 644899495 /nfs/dbraw/zinc/89/94/95/644899495.db2.gz WNGUAUVMMVYACL-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000857782828 644967551 /nfs/dbraw/zinc/96/75/51/644967551.db2.gz FOUMNTXNBVHIML-UHFFFAOYSA-N 2 1 299.403 2.271 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000857852987 644980886 /nfs/dbraw/zinc/98/08/86/644980886.db2.gz ICEIUWOJMKMXEL-OAHLLOKOSA-N 2 1 276.428 2.499 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000857852867 644981123 /nfs/dbraw/zinc/98/11/23/644981123.db2.gz HAGVHRJAJZVWLH-AWEZNQCLSA-N 2 1 262.401 2.109 20 0 CEADMP C[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000858104268 645062130 /nfs/dbraw/zinc/06/21/30/645062130.db2.gz DUVPUMAPNJXIQD-GJZGRUSLSA-N 2 1 267.461 2.323 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(F)(F)F ZINC000858136703 645071553 /nfs/dbraw/zinc/07/15/53/645071553.db2.gz YRDWYANOGSNEMM-VHSXEESVSA-N 2 1 268.323 2.026 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(F)(F)F ZINC000858136703 645071557 /nfs/dbraw/zinc/07/15/57/645071557.db2.gz YRDWYANOGSNEMM-VHSXEESVSA-N 2 1 268.323 2.026 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2c(F)cccc2F)CC1(C)C ZINC000858142920 645072784 /nfs/dbraw/zinc/07/27/84/645072784.db2.gz RBOSVRWBLWVFFE-FZMZJTMJSA-N 2 1 298.377 2.461 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2c(F)cccc2F)CC1(C)C ZINC000858142920 645072790 /nfs/dbraw/zinc/07/27/90/645072790.db2.gz RBOSVRWBLWVFFE-FZMZJTMJSA-N 2 1 298.377 2.461 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc[nH+]c(CO)c2)C1 ZINC000858353008 645129446 /nfs/dbraw/zinc/12/94/46/645129446.db2.gz HHMXMCBFPZBKGE-JKIFEVAISA-N 2 1 289.423 2.416 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)Nc1cc[nH+]c(CO)c1 ZINC000858549684 645198468 /nfs/dbraw/zinc/19/84/68/645198468.db2.gz YWXUKQGJXJMWGL-LBPRGKRZSA-N 2 1 251.374 2.106 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@H]2CCC[C@H]2O1)C[C@H]1CCC[NH+](C)C1 ZINC000878126818 651008623 /nfs/dbraw/zinc/00/86/23/651008623.db2.gz YGEBETDJWZJKLR-XUWVNRHRSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](C[C@@H]1C[C@H]2CCC[C@H]2O1)C[C@H]1CCC[N@H+](C)C1 ZINC000878126818 651008625 /nfs/dbraw/zinc/00/86/25/651008625.db2.gz YGEBETDJWZJKLR-XUWVNRHRSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](C[C@@H]1C[C@H]2CCC[C@H]2O1)C[C@H]1CCC[N@@H+](C)C1 ZINC000878126818 651008627 /nfs/dbraw/zinc/00/86/27/651008627.db2.gz YGEBETDJWZJKLR-XUWVNRHRSA-N 2 1 266.429 2.218 20 0 CEADMP CC[N@H+](CCNC(=O)OC(C)(C)C)CC[C@@H]1CCC[NH+]1C ZINC000859532016 645509979 /nfs/dbraw/zinc/50/99/79/645509979.db2.gz RLRPFARPDZFDSU-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)CC[C@@H]1CCC[NH+]1C ZINC000859532016 645509983 /nfs/dbraw/zinc/50/99/83/645509983.db2.gz RLRPFARPDZFDSU-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP CC[NH+](CCNC(=O)OC(C)(C)C)CC[C@@H]1CCC[N@@H+]1C ZINC000859532016 645509989 /nfs/dbraw/zinc/50/99/89/645509989.db2.gz RLRPFARPDZFDSU-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP CC[NH+](CCNC(=O)OC(C)(C)C)CC[C@@H]1CCC[N@H+]1C ZINC000859532016 645509993 /nfs/dbraw/zinc/50/99/93/645509993.db2.gz RLRPFARPDZFDSU-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H](OC)C2)C[C@H]1C ZINC000878162690 651019653 /nfs/dbraw/zinc/01/96/53/651019653.db2.gz IAPDHMGYDOQMKX-KBXIAJHMSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2C[C@@H](OC)C2)C[C@H]1C ZINC000878162690 651019657 /nfs/dbraw/zinc/01/96/57/651019657.db2.gz IAPDHMGYDOQMKX-KBXIAJHMSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H](OC)C2)C[C@H]1C ZINC000878162690 651019661 /nfs/dbraw/zinc/01/96/61/651019661.db2.gz IAPDHMGYDOQMKX-KBXIAJHMSA-N 2 1 254.418 2.216 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC3CC4(CCC4)C3)CC2)C1 ZINC000878248156 651045062 /nfs/dbraw/zinc/04/50/62/651045062.db2.gz RBAVIVQDIAVIHT-QGZVFWFLSA-N 2 1 291.483 2.279 20 0 CEADMP C=C/C=C\CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000878287490 651054175 /nfs/dbraw/zinc/05/41/75/651054175.db2.gz DRWBKIDAORWVSV-WRANKLGHSA-N 2 1 264.413 2.302 20 0 CEADMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000863542376 646751838 /nfs/dbraw/zinc/75/18/38/646751838.db2.gz QGGQVEQIMFXVDG-FVCCEPFGSA-N 2 1 284.494 2.240 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000863553135 646754754 /nfs/dbraw/zinc/75/47/54/646754754.db2.gz VNPLCYFOINYZGJ-OLZOCXBDSA-N 3 1 295.393 2.355 20 0 CEADMP [NH3+]CCCCCCCN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000863553135 646754757 /nfs/dbraw/zinc/75/47/57/646754757.db2.gz VNPLCYFOINYZGJ-OLZOCXBDSA-N 2 1 295.393 2.355 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000779342076 647314378 /nfs/dbraw/zinc/31/43/78/647314378.db2.gz SNEXMPUSSSIVNS-ZBFHGGJFSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(OC(C)(C)C)c2)C1 ZINC000865528747 647343177 /nfs/dbraw/zinc/34/31/77/647343177.db2.gz NJXNYCBEHNWAMX-QGZVFWFLSA-N 2 1 292.423 2.020 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(OC(C)(C)C)c2)C1 ZINC000865528747 647343179 /nfs/dbraw/zinc/34/31/79/647343179.db2.gz NJXNYCBEHNWAMX-QGZVFWFLSA-N 2 1 292.423 2.020 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000783250255 647701023 /nfs/dbraw/zinc/70/10/23/647701023.db2.gz GJAFVAJEJJJQLZ-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H](CCc1cccnc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000866274158 647710782 /nfs/dbraw/zinc/71/07/82/647710782.db2.gz XBQZHMHBUKCWOV-FMKPAKJESA-N 2 1 261.413 2.475 20 0 CEADMP C[C@H](CCc1cccnc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000866274158 647710789 /nfs/dbraw/zinc/71/07/89/647710789.db2.gz XBQZHMHBUKCWOV-FMKPAKJESA-N 2 1 261.413 2.475 20 0 CEADMP C(C[C@H]1CCCS1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000866480947 647799936 /nfs/dbraw/zinc/79/99/36/647799936.db2.gz MTBWYUSZZLRZAJ-HUUCEWRRSA-N 2 1 284.469 2.115 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000866524328 647815135 /nfs/dbraw/zinc/81/51/35/647815135.db2.gz CTJSBZYJEYZGED-APIJFGDWSA-N 2 1 296.455 2.427 20 0 CEADMP O[C@@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000866638355 647850700 /nfs/dbraw/zinc/85/07/00/647850700.db2.gz GFQDLFGONBBESO-INIZCTEOSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@@H]1CCCC[C@@H]1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000784534852 647859511 /nfs/dbraw/zinc/85/95/11/647859511.db2.gz PJJOOTYETOCDFJ-IAGOWNOFSA-N 2 1 281.488 2.430 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702648 647874733 /nfs/dbraw/zinc/87/47/33/647874733.db2.gz DEBVWWXKMSCRNX-SUMWQHHRSA-N 2 1 297.487 2.377 20 0 CEADMP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708575 647877675 /nfs/dbraw/zinc/87/76/75/647877675.db2.gz RUWNBRIMDBFVRZ-DOMZBBRYSA-N 2 1 270.417 2.025 20 0 CEADMP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708575 647877677 /nfs/dbraw/zinc/87/76/77/647877677.db2.gz RUWNBRIMDBFVRZ-DOMZBBRYSA-N 2 1 270.417 2.025 20 0 CEADMP Cc1nnsc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708145 647877691 /nfs/dbraw/zinc/87/76/91/647877691.db2.gz PRIRFXCJNKDBCT-ZDUSSCGKSA-N 2 1 268.430 2.043 20 0 CEADMP Cc1nnsc1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708145 647877696 /nfs/dbraw/zinc/87/76/96/647877696.db2.gz PRIRFXCJNKDBCT-ZDUSSCGKSA-N 2 1 268.430 2.043 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709036 647877951 /nfs/dbraw/zinc/87/79/51/647877951.db2.gz VBOLOMAXSWDLCH-HNNXBMFYSA-N 2 1 270.417 2.025 20 0 CEADMP C[C@H](c1cnccn1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709725 647878853 /nfs/dbraw/zinc/87/88/53/647878853.db2.gz ZMVYAVVAEJUFEH-DOMZBBRYSA-N 2 1 262.401 2.235 20 0 CEADMP Cc1cncc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000866720812 647881968 /nfs/dbraw/zinc/88/19/68/647881968.db2.gz OGVDCODSAQTOES-CVEARBPZSA-N 2 1 287.407 2.048 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc(F)nc2C)CC1 ZINC000785412133 647925268 /nfs/dbraw/zinc/92/52/68/647925268.db2.gz BYACJFYKUASVKO-UHFFFAOYSA-N 2 1 265.376 2.493 20 0 CEADMP CN(C)c1cc[nH+]c(NCc2ccc(CC[NH+](C)C)cc2)n1 ZINC000786078265 647982585 /nfs/dbraw/zinc/98/25/85/647982585.db2.gz KSSBSSVYKOJDQU-UHFFFAOYSA-N 2 1 299.422 2.259 20 0 CEADMP COc1ccc([C@@H](CO)[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000788484509 648192748 /nfs/dbraw/zinc/19/27/48/648192748.db2.gz ZCFPGYLFEJNWLH-QGZVFWFLSA-N 2 1 292.423 2.002 20 0 CEADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)c1ccccc1 ZINC000788619704 648209086 /nfs/dbraw/zinc/20/90/86/648209086.db2.gz FQUPTVARWAMZKJ-SJORKVTESA-N 2 1 276.424 2.428 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H](O)c2ccccc2)CC[N@@H+]1C ZINC000791473758 648530776 /nfs/dbraw/zinc/53/07/76/648530776.db2.gz PUVDDZAMMYIPAM-CWRNSKLLSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H](O)c2ccccc2)CC[N@H+]1C ZINC000791473758 648530779 /nfs/dbraw/zinc/53/07/79/648530779.db2.gz PUVDDZAMMYIPAM-CWRNSKLLSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2ccccc2)CC[NH+]1C ZINC000791473758 648530781 /nfs/dbraw/zinc/53/07/81/648530781.db2.gz PUVDDZAMMYIPAM-CWRNSKLLSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2ccccc2)CC[NH+]1C ZINC000791473758 648530784 /nfs/dbraw/zinc/53/07/84/648530784.db2.gz PUVDDZAMMYIPAM-CWRNSKLLSA-N 2 1 262.397 2.135 20 0 CEADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCCOC1)C2 ZINC000122797878 648613101 /nfs/dbraw/zinc/61/31/01/648613101.db2.gz BZPPJMSPCTUPBX-QGZVFWFLSA-N 2 1 274.408 2.203 20 0 CEADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCCOC1)C2 ZINC000122797878 648613103 /nfs/dbraw/zinc/61/31/03/648613103.db2.gz BZPPJMSPCTUPBX-QGZVFWFLSA-N 2 1 274.408 2.203 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870986115 648970566 /nfs/dbraw/zinc/97/05/66/648970566.db2.gz NKOQUFZPFLZLSP-CQSZACIVSA-N 2 1 283.460 2.003 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870990913 648972403 /nfs/dbraw/zinc/97/24/03/648972403.db2.gz HHYCYTAPTGTTIN-PBHICJAKSA-N 2 1 295.471 2.084 20 0 CEADMP C[N@H+](CCO[NH+]=C(N)C1CCC1)Cc1ccccc1 ZINC000871766178 649178230 /nfs/dbraw/zinc/17/82/30/649178230.db2.gz YVICDGCSZDGKNZ-UHFFFAOYSA-N 2 1 261.369 2.417 20 0 CEADMP C[N@@H+](CCO[NH+]=C(N)C1CCC1)Cc1ccccc1 ZINC000871766178 649178233 /nfs/dbraw/zinc/17/82/33/649178233.db2.gz YVICDGCSZDGKNZ-UHFFFAOYSA-N 2 1 261.369 2.417 20 0 CEADMP C(c1nc2c(o1)CCCC2)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000872142602 649292423 /nfs/dbraw/zinc/29/24/23/649292423.db2.gz BGRAKBFSVVPBNE-KGLIPLIRSA-N 2 1 289.423 2.375 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccc(C)c(C(=O)OC)c2)CC[C@@H]1[NH3+] ZINC000872143445 649293141 /nfs/dbraw/zinc/29/31/41/649293141.db2.gz MLPQZJYMHJHCGV-HOCLYGCPSA-N 2 1 290.407 2.341 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(C)c(C(=O)OC)c2)CC[C@@H]1[NH3+] ZINC000872143445 649293142 /nfs/dbraw/zinc/29/31/42/649293142.db2.gz MLPQZJYMHJHCGV-HOCLYGCPSA-N 2 1 290.407 2.341 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000872144765 649295077 /nfs/dbraw/zinc/29/50/77/649295077.db2.gz HDVDMAQFWBMRSP-GUTXKFCHSA-N 2 1 254.418 2.108 20 0 CEADMP Cc1csc([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000872147060 649296193 /nfs/dbraw/zinc/29/61/93/649296193.db2.gz COUQRPCWTHJMHV-CYBMUJFWSA-N 2 1 265.426 2.240 20 0 CEADMP CC(=O)Nc1ccc2c(c1)C[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000872154697 649298485 /nfs/dbraw/zinc/29/84/85/649298485.db2.gz WIODKRBYBNFLFQ-AWEZNQCLSA-N 2 1 287.407 2.003 20 0 CEADMP CCOC(=O)C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156476 649299188 /nfs/dbraw/zinc/29/91/88/649299188.db2.gz KBYWUWOULYORKY-HIFRSBDPSA-N 2 1 282.428 2.169 20 0 CEADMP CCOC(=O)C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156476 649299190 /nfs/dbraw/zinc/29/91/90/649299190.db2.gz KBYWUWOULYORKY-HIFRSBDPSA-N 2 1 282.428 2.169 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872282222 649343183 /nfs/dbraw/zinc/34/31/83/649343183.db2.gz DWPHXINLWJMTDG-NVXWUHKLSA-N 2 1 298.471 2.111 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872282222 649343184 /nfs/dbraw/zinc/34/31/84/649343184.db2.gz DWPHXINLWJMTDG-NVXWUHKLSA-N 2 1 298.471 2.111 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872282222 649343186 /nfs/dbraw/zinc/34/31/86/649343186.db2.gz DWPHXINLWJMTDG-NVXWUHKLSA-N 2 1 298.471 2.111 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872282222 649343187 /nfs/dbraw/zinc/34/31/87/649343187.db2.gz DWPHXINLWJMTDG-NVXWUHKLSA-N 2 1 298.471 2.111 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(OC(C)=O)cc2)C1 ZINC000124108856 649398172 /nfs/dbraw/zinc/39/81/72/649398172.db2.gz PFLQMWAVQSUMMJ-INIZCTEOSA-N 2 1 290.407 2.386 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000124108856 649398175 /nfs/dbraw/zinc/39/81/75/649398175.db2.gz PFLQMWAVQSUMMJ-INIZCTEOSA-N 2 1 290.407 2.386 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000124108856 649398177 /nfs/dbraw/zinc/39/81/77/649398177.db2.gz PFLQMWAVQSUMMJ-INIZCTEOSA-N 2 1 290.407 2.386 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000124108856 649398181 /nfs/dbraw/zinc/39/81/81/649398181.db2.gz PFLQMWAVQSUMMJ-INIZCTEOSA-N 2 1 290.407 2.386 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000124108856 649398185 /nfs/dbraw/zinc/39/81/85/649398185.db2.gz PFLQMWAVQSUMMJ-INIZCTEOSA-N 2 1 290.407 2.386 20 0 CEADMP c1c[nH+]c(N2CCN(c3cc[nH+]cc3C3CC3)CC2)[nH]1 ZINC000872523563 649413522 /nfs/dbraw/zinc/41/35/22/649413522.db2.gz KKQNIOKBPYBDRO-UHFFFAOYSA-N 2 1 269.352 2.009 20 0 CEADMP c1c(CN[C@H]2CC[NH2+]C3(CCC3)C2)sc2c1C[NH2+]CC2 ZINC000873213301 649592170 /nfs/dbraw/zinc/59/21/70/649592170.db2.gz UTYRVHMQKWQNIP-ZDUSSCGKSA-N 2 1 291.464 2.158 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)C1CCOCC1 ZINC000873236108 649604406 /nfs/dbraw/zinc/60/44/06/649604406.db2.gz XJXKBHQDTBEXDX-JSGCOSHPSA-N 2 1 254.418 2.169 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)cn1 ZINC000873237596 649604863 /nfs/dbraw/zinc/60/48/63/649604863.db2.gz ROJLWHJLTHKSAR-UKRRQHHQSA-N 2 1 291.439 2.389 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCSCCC(F)(F)F ZINC000873251171 649609345 /nfs/dbraw/zinc/60/93/45/649609345.db2.gz JPUBALPVFHHRPI-ZJUUUORDSA-N 2 1 270.364 2.260 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1c[nH+]ccc1N ZINC000873250779 649609572 /nfs/dbraw/zinc/60/95/72/649609572.db2.gz HXSJAHLPLJEIKN-CHWSQXEVSA-N 2 1 275.396 2.352 20 0 CEADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873272792 649620227 /nfs/dbraw/zinc/62/02/27/649620227.db2.gz BYFIYYRUIOANMX-FDYHWXHSSA-N 2 1 292.345 2.240 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cc2c([nH]c1=O)CCCC2 ZINC000873276569 649622119 /nfs/dbraw/zinc/62/21/19/649622119.db2.gz QFYGFFSANBGPIN-GOEBONIOSA-N 2 1 289.423 2.416 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C)C1 ZINC000879126966 651247244 /nfs/dbraw/zinc/24/72/44/651247244.db2.gz PIXGJOPDFPGZFC-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879406500 651298366 /nfs/dbraw/zinc/29/83/66/651298366.db2.gz OMKAZCWJYWGSML-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000879572735 651324168 /nfs/dbraw/zinc/32/41/68/651324168.db2.gz QOMXUEWLSZHOLU-HOCLYGCPSA-N 2 1 287.407 2.041 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000879572735 651324169 /nfs/dbraw/zinc/32/41/69/651324169.db2.gz QOMXUEWLSZHOLU-HOCLYGCPSA-N 2 1 287.407 2.041 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000879572735 651324170 /nfs/dbraw/zinc/32/41/70/651324170.db2.gz QOMXUEWLSZHOLU-HOCLYGCPSA-N 2 1 287.407 2.041 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000879572735 651324171 /nfs/dbraw/zinc/32/41/71/651324171.db2.gz QOMXUEWLSZHOLU-HOCLYGCPSA-N 2 1 287.407 2.041 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCN3CCc4ccccc43)CC[C@H]21 ZINC000879579904 651325614 /nfs/dbraw/zinc/32/56/14/651325614.db2.gz QCELRZFJPOIRMU-DLBZAZTESA-N 2 1 285.435 2.075 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCN3CCc4ccccc43)CC[C@H]21 ZINC000879579904 651325615 /nfs/dbraw/zinc/32/56/15/651325615.db2.gz QCELRZFJPOIRMU-DLBZAZTESA-N 2 1 285.435 2.075 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCN3CCc4ccccc43)CC[C@H]21 ZINC000879579904 651325616 /nfs/dbraw/zinc/32/56/16/651325616.db2.gz QCELRZFJPOIRMU-DLBZAZTESA-N 2 1 285.435 2.075 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000879581142 651326534 /nfs/dbraw/zinc/32/65/34/651326534.db2.gz XDQAKHNDLJBEFD-CRAIPNDOSA-N 2 1 286.419 2.285 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000879581142 651326536 /nfs/dbraw/zinc/32/65/36/651326536.db2.gz XDQAKHNDLJBEFD-CRAIPNDOSA-N 2 1 286.419 2.285 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000879581142 651326537 /nfs/dbraw/zinc/32/65/37/651326537.db2.gz XDQAKHNDLJBEFD-CRAIPNDOSA-N 2 1 286.419 2.285 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000879581142 651326539 /nfs/dbraw/zinc/32/65/39/651326539.db2.gz XDQAKHNDLJBEFD-CRAIPNDOSA-N 2 1 286.419 2.285 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000879581142 651326541 /nfs/dbraw/zinc/32/65/41/651326541.db2.gz XDQAKHNDLJBEFD-CRAIPNDOSA-N 2 1 286.419 2.285 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCC(C)(C)O3)CC[C@H]21 ZINC000879580095 651326937 /nfs/dbraw/zinc/32/69/37/651326937.db2.gz RJHIDWZBRJVJFI-RBSFLKMASA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCCC(C)(C)O3)CC[C@H]21 ZINC000879580095 651326939 /nfs/dbraw/zinc/32/69/39/651326939.db2.gz RJHIDWZBRJVJFI-RBSFLKMASA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCCC(C)(C)O3)CC[C@H]21 ZINC000879580095 651326941 /nfs/dbraw/zinc/32/69/41/651326941.db2.gz RJHIDWZBRJVJFI-RBSFLKMASA-N 2 1 266.429 2.360 20 0 CEADMP Cc1noc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)n1 ZINC000879702661 651341547 /nfs/dbraw/zinc/34/15/47/651341547.db2.gz UJHIMQCCMXUKJG-UHFFFAOYSA-N 2 1 280.416 2.178 20 0 CEADMP COC(CC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1)OC ZINC000879703428 651341591 /nfs/dbraw/zinc/34/15/91/651341591.db2.gz MCDRYXYAKMNYKC-UHFFFAOYSA-N 2 1 286.460 2.295 20 0 CEADMP CC(C)C[N@@H+](CCCCO)CC1CC[NH+](C)CC1 ZINC000879702349 651341695 /nfs/dbraw/zinc/34/16/95/651341695.db2.gz LFMQCSQHCCVZJG-UHFFFAOYSA-N 2 1 256.434 2.059 20 0 CEADMP CC(C)C[N@@H+](CCc1cncn1C)CC1CC[NH+](C)CC1 ZINC000879703820 651341735 /nfs/dbraw/zinc/34/17/35/651341735.db2.gz YLIIDVGGDKQRJG-UHFFFAOYSA-N 2 1 292.471 2.262 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000880040997 651377954 /nfs/dbraw/zinc/37/79/54/651377954.db2.gz MIKCYOMEJNPIGQ-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000880040997 651377955 /nfs/dbraw/zinc/37/79/55/651377955.db2.gz MIKCYOMEJNPIGQ-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000880040997 651377956 /nfs/dbraw/zinc/37/79/56/651377956.db2.gz MIKCYOMEJNPIGQ-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)CC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209379 651401557 /nfs/dbraw/zinc/40/15/57/651401557.db2.gz SXQZRRZSTGKEAC-OAHLLOKOSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209379 651401559 /nfs/dbraw/zinc/40/15/59/651401559.db2.gz SXQZRRZSTGKEAC-OAHLLOKOSA-N 2 1 254.418 2.266 20 0 CEADMP CCC1([NH+]2CCCCC2)CC[NH+](CCOC)CC1 ZINC000880255604 651410876 /nfs/dbraw/zinc/41/08/76/651410876.db2.gz RJUDVQHWQHCTQR-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP COCC1(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CCC1 ZINC000880258294 651411196 /nfs/dbraw/zinc/41/11/96/651411196.db2.gz FFVYCXRJOCPOLQ-HNNXBMFYSA-N 2 1 289.423 2.409 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CCC(C)([NH+]2CCC2)CC1 ZINC000880472380 651446841 /nfs/dbraw/zinc/44/68/41/651446841.db2.gz LXUZUWRJLDSKDK-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP C[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CCN1c1cc[nH+]cc1 ZINC000882821839 652229713 /nfs/dbraw/zinc/22/97/13/652229713.db2.gz LYTDSPROFFDASL-LBPRGKRZSA-N 2 1 294.362 2.068 20 0 CEADMP C[C@H]1C[C@H](NCc2ccnc(-c3ccccn3)n2)CC[N@H+]1C ZINC000883292205 652425193 /nfs/dbraw/zinc/42/51/93/652425193.db2.gz GXBUYGHTQSHQER-UONOGXRCSA-N 2 1 297.406 2.111 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCC2(COC2)CC1 ZINC000883389466 652451668 /nfs/dbraw/zinc/45/16/68/652451668.db2.gz RBTOGRKAVWGEGQ-UHFFFAOYSA-N 2 1 275.396 2.196 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000883417444 652461810 /nfs/dbraw/zinc/46/18/10/652461810.db2.gz ADRDWSNCFKSGEW-HRCADAONSA-N 2 1 296.455 2.021 20 0 CEADMP FC1(F)CCC[C@H]1CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000883425521 652465980 /nfs/dbraw/zinc/46/59/80/652465980.db2.gz WLURLGQLYFAKDV-STQMWFEESA-N 2 1 258.356 2.497 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](CF)C2)cc1 ZINC000883447058 652472384 /nfs/dbraw/zinc/47/23/84/652472384.db2.gz RQBYXMRRPGGCPV-UKRRQHHQSA-N 2 1 280.387 2.419 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H]2CC3(CO2)CCOCC3)[C@@H]1C ZINC000883445565 652472524 /nfs/dbraw/zinc/47/25/24/652472524.db2.gz FJMVSNFVBRBTPW-FPCVCCKLSA-N 2 1 296.455 2.020 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CC3(CO2)CCOCC3)[C@@H]1C ZINC000883445565 652472525 /nfs/dbraw/zinc/47/25/25/652472525.db2.gz FJMVSNFVBRBTPW-FPCVCCKLSA-N 2 1 296.455 2.020 20 0 CEADMP Fc1cc2c(cc1F)C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000883461547 652477889 /nfs/dbraw/zinc/47/78/89/652477889.db2.gz XHLROMXKXZDLHR-NSHDSACASA-N 2 1 266.335 2.323 20 0 CEADMP O=C(OCCC[NH+]1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000800221696 652691776 /nfs/dbraw/zinc/69/17/76/652691776.db2.gz XGUMVCHIKLGQCN-MRXNPFEDSA-N 2 1 294.439 2.423 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@H]([NH3+])CC1CC1)C1CCCCC1 ZINC000884383750 652826610 /nfs/dbraw/zinc/82/66/10/652826610.db2.gz SVOVTMDIXXHXIH-MRXNPFEDSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc(C[NH+]2CCCC2)cn1 ZINC001164641646 719234067 /nfs/dbraw/zinc/23/40/67/719234067.db2.gz UUKUMKBWMMEOAG-HUUCEWRRSA-N 2 1 288.439 2.206 20 0 CEADMP CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001270846952 805586012 /nfs/dbraw/zinc/58/60/12/805586012.db2.gz JUFPECWEULBUTD-KRWDZBQOSA-N 2 1 295.471 2.121 20 0 CEADMP C[C@H]1CC([NH2+]C2CN(C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012767 805713134 /nfs/dbraw/zinc/71/31/34/805713134.db2.gz DWLKVMJISKRWEJ-GJZGRUSLSA-N 2 1 287.451 2.332 20 0 CEADMP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001271566873 805993760 /nfs/dbraw/zinc/99/37/60/805993760.db2.gz SUADKNVKBIVBPU-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP c1cc2c(s1)CC[N@@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000697012342 806089727 /nfs/dbraw/zinc/08/97/27/806089727.db2.gz DONBGJNEWBFSFH-GFCCVEGCSA-N 2 1 250.411 2.496 20 0 CEADMP c1cc2c(s1)CC[N@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000697012342 806089736 /nfs/dbraw/zinc/08/97/36/806089736.db2.gz DONBGJNEWBFSFH-GFCCVEGCSA-N 2 1 250.411 2.496 20 0 CEADMP C[C@H]1C[C@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)CCO1 ZINC001168136464 806268494 /nfs/dbraw/zinc/26/84/94/806268494.db2.gz JYIUWRDYCVOFSU-SWLSCSKDSA-N 2 1 252.402 2.113 20 0 CEADMP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(OC)c1 ZINC000035054358 806338490 /nfs/dbraw/zinc/33/84/90/806338490.db2.gz ZSLOLMISJZHXGB-UHFFFAOYSA-N 2 1 290.407 2.420 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001168230590 806424435 /nfs/dbraw/zinc/42/44/35/806424435.db2.gz LRJDMFDFTKIVBR-WMLDXEAASA-N 2 1 288.435 2.484 20 0 CEADMP C[NH+](C)C1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001168294686 806631847 /nfs/dbraw/zinc/63/18/47/806631847.db2.gz BHAUTPVCHQBFFG-FHERZECASA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@](O)(CF)CC2)CC1 ZINC001168315340 806648767 /nfs/dbraw/zinc/64/87/67/806648767.db2.gz UWHISLZZGLRYGJ-NRXISQOPSA-N 2 1 272.408 2.046 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](N3CCCC3)C2)CC1 ZINC001168324483 806653593 /nfs/dbraw/zinc/65/35/93/806653593.db2.gz PPMBQRZUGUOKQX-GPANFISMSA-N 2 1 265.445 2.029 20 0 CEADMP CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324465 806653641 /nfs/dbraw/zinc/65/36/41/806653641.db2.gz PJKDIJMKXGBFJS-UYSNPLJNSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)n1C ZINC001168355856 806683534 /nfs/dbraw/zinc/68/35/34/806683534.db2.gz CTCZFORKWJMHFQ-UHFFFAOYSA-N 2 1 261.413 2.298 20 0 CEADMP C(C1CC1)[NH+]1CCC(N[C@H]2CC[N@H+](C3CCC3)C2)CC1 ZINC001168366353 806803140 /nfs/dbraw/zinc/80/31/40/806803140.db2.gz PDEDTUWGAGFFAP-INIZCTEOSA-N 2 1 277.456 2.077 20 0 CEADMP Oc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c(O)c1 ZINC000093865756 806980215 /nfs/dbraw/zinc/98/02/15/806980215.db2.gz WKTDWXWVBFQKJP-OAHLLOKOSA-N 2 1 286.331 2.146 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@](O)(C(F)(F)F)C2)C1 ZINC001208606080 802388308 /nfs/dbraw/zinc/38/83/08/802388308.db2.gz DTFZSCDESBJGSA-QWHCGFSZSA-N 2 1 294.361 2.108 20 0 CEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)C1 ZINC001208606080 802388313 /nfs/dbraw/zinc/38/83/13/802388313.db2.gz DTFZSCDESBJGSA-QWHCGFSZSA-N 2 1 294.361 2.108 20 0 CEADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@](O)(C(F)(F)F)C2)C1 ZINC001208606080 802388322 /nfs/dbraw/zinc/38/83/22/802388322.db2.gz DTFZSCDESBJGSA-QWHCGFSZSA-N 2 1 294.361 2.108 20 0 CEADMP C[N@@H+](C[C@@H]1Cc2ccccc2O1)C[C@H]1CCC[NH+](C)C1 ZINC001208615192 802392862 /nfs/dbraw/zinc/39/28/62/802392862.db2.gz SGELLRDBBYAZDH-HOCLYGCPSA-N 2 1 274.408 2.264 20 0 CEADMP C[NH+](C[C@@H]1Cc2ccccc2O1)C[C@H]1CCC[N@H+](C)C1 ZINC001208615192 802392868 /nfs/dbraw/zinc/39/28/68/802392868.db2.gz SGELLRDBBYAZDH-HOCLYGCPSA-N 2 1 274.408 2.264 20 0 CEADMP C[NH+](C[C@@H]1Cc2ccccc2O1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208615192 802392878 /nfs/dbraw/zinc/39/28/78/802392878.db2.gz SGELLRDBBYAZDH-HOCLYGCPSA-N 2 1 274.408 2.264 20 0 CEADMP C[NH+](C)CCOc1cc(F)ccc1NC1=CC[N@@H+](C)CC1 ZINC001208929632 802441363 /nfs/dbraw/zinc/44/13/63/802441363.db2.gz CXSVOWRSKPBQCP-UHFFFAOYSA-N 2 1 293.386 2.397 20 0 CEADMP CCOC(=O)CCCCCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209349886 802499555 /nfs/dbraw/zinc/49/95/55/802499555.db2.gz CWPCCARMRPGAHJ-UHFFFAOYSA-N 2 1 293.411 2.255 20 0 CEADMP CCOC(=O)CCCCCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209349886 802499561 /nfs/dbraw/zinc/49/95/61/802499561.db2.gz CWPCCARMRPGAHJ-UHFFFAOYSA-N 2 1 293.411 2.255 20 0 CEADMP CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001206952338 802623905 /nfs/dbraw/zinc/62/39/05/802623905.db2.gz LBQJAIZTEQWFFQ-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001266498014 802633687 /nfs/dbraw/zinc/63/36/87/802633687.db2.gz OUOYIOZEFMPPDP-MRXNPFEDSA-N 2 1 295.471 2.243 20 0 CEADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc[nH]c2=O)CC1 ZINC001207007224 802682451 /nfs/dbraw/zinc/68/24/51/802682451.db2.gz QVWGWBZTTIZXOP-UHFFFAOYSA-N 2 1 277.412 2.339 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)CC(F)(F)F ZINC000710282975 809986000 /nfs/dbraw/zinc/98/60/00/809986000.db2.gz SOEPWMPXTLOKBU-OLZOCXBDSA-N 2 1 294.361 2.011 20 0 CEADMP Cn1ncc(Cl)c1C[N@H+](C)CCCCCC[NH3+] ZINC000710764332 809993129 /nfs/dbraw/zinc/99/31/29/809993129.db2.gz FAWJQVWBFOHBRK-UHFFFAOYSA-N 2 1 258.797 2.024 20 0 CEADMP Cn1ncc(Cl)c1C[N@@H+](C)CCCCCC[NH3+] ZINC000710764332 809993132 /nfs/dbraw/zinc/99/31/32/809993132.db2.gz FAWJQVWBFOHBRK-UHFFFAOYSA-N 2 1 258.797 2.024 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)CCCCCC[NH3+] ZINC000710843473 809996770 /nfs/dbraw/zinc/99/67/70/809996770.db2.gz USURKICRJMUUHF-CQSZACIVSA-N 2 1 277.412 2.465 20 0 CEADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210811777 802741140 /nfs/dbraw/zinc/74/11/40/802741140.db2.gz QYMWEUFLPJUQIR-MRXNPFEDSA-N 2 1 297.487 2.489 20 0 CEADMP C[C@H]1C[C@H](n2cncc2CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398088258 802790192 /nfs/dbraw/zinc/79/01/92/802790192.db2.gz INPKTUDXJGLXSW-YOEHRIQHSA-N 2 1 284.407 2.220 20 0 CEADMP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001283051816 802849359 /nfs/dbraw/zinc/84/93/59/802849359.db2.gz FDAARLDORRCDJM-BZUAXINKSA-N 2 1 295.471 2.001 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000723910607 802967543 /nfs/dbraw/zinc/96/75/43/802967543.db2.gz WAUWIVOAQODSSE-TZMCWYRMSA-N 2 1 278.396 2.121 20 0 CEADMP CO[C@@H](C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)c1ccccc1 ZINC000723921491 802970271 /nfs/dbraw/zinc/97/02/71/802970271.db2.gz HZWZMDFQYBQIQP-BMFZPTHFSA-N 2 1 262.397 2.291 20 0 CEADMP CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001087176699 802986842 /nfs/dbraw/zinc/98/68/42/802986842.db2.gz LHAWYCUMTRTJTA-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC[N@@H+]1C ZINC000723999949 802991571 /nfs/dbraw/zinc/99/15/71/802991571.db2.gz PMZKPHSZHJOEJK-BVUBDWEXSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC[N@H+]1C ZINC000723999949 802991575 /nfs/dbraw/zinc/99/15/75/802991575.db2.gz PMZKPHSZHJOEJK-BVUBDWEXSA-N 2 1 266.429 2.264 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000403564463 803036039 /nfs/dbraw/zinc/03/60/39/803036039.db2.gz MFQPPSGFDFQROT-YPRXJGMQSA-N 2 1 266.454 2.487 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CC2)C1 ZINC001132437670 812851634 /nfs/dbraw/zinc/85/16/34/812851634.db2.gz WZFFHOJAOIIGIL-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CC2)C1 ZINC001132437670 812851647 /nfs/dbraw/zinc/85/16/47/812851647.db2.gz WZFFHOJAOIIGIL-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CC2)C1 ZINC001132437670 812851658 /nfs/dbraw/zinc/85/16/58/812851658.db2.gz WZFFHOJAOIIGIL-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH2+][C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001266994267 803044418 /nfs/dbraw/zinc/04/44/18/803044418.db2.gz KFKSTWYRQKXYBI-GDBMZVCRSA-N 2 1 291.439 2.184 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC=C(C)C)C1 ZINC001267067569 803089240 /nfs/dbraw/zinc/08/92/40/803089240.db2.gz QPWKWAXZPQTLTQ-MRXNPFEDSA-N 2 1 295.471 2.123 20 0 CEADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCC1CCCCC1 ZINC001133819984 813159196 /nfs/dbraw/zinc/15/91/96/813159196.db2.gz ULDYSRQMPHYDCZ-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC1CCC(C)CC1 ZINC001133820080 813159596 /nfs/dbraw/zinc/15/95/96/813159596.db2.gz XTDVVOOKPJYMBU-PCKAHOCUSA-N 2 1 295.471 2.003 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207287356 803135768 /nfs/dbraw/zinc/13/57/68/803135768.db2.gz BXFSDYMDVWWMFC-MRXNPFEDSA-N 2 1 284.444 2.239 20 0 CEADMP CC1(C)CC([NH3+])CC(C)(C)N1c1[nH+]cnc2[nH]ccc21 ZINC001167625879 803215009 /nfs/dbraw/zinc/21/50/09/803215009.db2.gz RGCCPDCJZMFNMY-UHFFFAOYSA-N 2 1 273.384 2.443 20 0 CEADMP CCCCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001100905000 814204085 /nfs/dbraw/zinc/20/40/85/814204085.db2.gz RCGLGLTXQMRFIL-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000721572836 803420591 /nfs/dbraw/zinc/42/05/91/803420591.db2.gz CKCFHCCPPXVPJP-CABCVRRESA-N 2 1 266.429 2.432 20 0 CEADMP OCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000725114197 803430812 /nfs/dbraw/zinc/43/08/12/803430812.db2.gz KANBASKKMDSLAH-INIZCTEOSA-N 2 1 266.429 2.144 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000365650288 803655201 /nfs/dbraw/zinc/65/52/01/803655201.db2.gz QWBIYKASBWGVHU-CABCVRRESA-N 2 1 276.428 2.084 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000365650288 803655205 /nfs/dbraw/zinc/65/52/05/803655205.db2.gz QWBIYKASBWGVHU-CABCVRRESA-N 2 1 276.428 2.084 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000365650288 803655208 /nfs/dbraw/zinc/65/52/08/803655208.db2.gz QWBIYKASBWGVHU-CABCVRRESA-N 2 1 276.428 2.084 20 0 CEADMP CCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001104938015 803726533 /nfs/dbraw/zinc/72/65/33/803726533.db2.gz MZLAXMHWAXLBAB-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccccc1 ZINC000925607992 803778431 /nfs/dbraw/zinc/77/84/31/803778431.db2.gz SJYJKWOKYHVPDU-UGQVUOCMSA-N 2 1 262.397 2.216 20 0 CEADMP CC(=O)[C@@H]1CCC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207487185 803807994 /nfs/dbraw/zinc/80/79/94/803807994.db2.gz RQLKWKDAVVLUMZ-OAHLLOKOSA-N 2 1 252.402 2.019 20 0 CEADMP CCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001267960385 803850614 /nfs/dbraw/zinc/85/06/14/803850614.db2.gz DEEZANUFDZFBFZ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP [NH3+]CC1(F)CC[NH+](Cc2cccc(F)c2F)CC1 ZINC001222531230 803893100 /nfs/dbraw/zinc/89/31/00/803893100.db2.gz ADRSJPXSSQALCI-UHFFFAOYSA-N 2 1 258.287 2.228 20 0 CEADMP Cc1cc(NC[C@H]2CC[N@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000715686912 814985867 /nfs/dbraw/zinc/98/58/67/814985867.db2.gz OEJLKQDPFQFYDV-CQSZACIVSA-N 2 1 283.379 2.054 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001027545052 804115710 /nfs/dbraw/zinc/11/57/10/804115710.db2.gz RWLCJVZDOYMSHQ-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001027545052 804115716 /nfs/dbraw/zinc/11/57/16/804115716.db2.gz RWLCJVZDOYMSHQ-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001027545052 804115727 /nfs/dbraw/zinc/11/57/27/804115727.db2.gz RWLCJVZDOYMSHQ-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027604637 804149127 /nfs/dbraw/zinc/14/91/27/804149127.db2.gz ROARYZVPOBKOIF-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCc3[nH]ncc32)CC1 ZINC000423429845 804161377 /nfs/dbraw/zinc/16/13/77/804161377.db2.gz SXVPWPIOAONYLR-YRGRVCCFSA-N 2 1 262.401 2.142 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C1SCCS1 ZINC000692848370 804187831 /nfs/dbraw/zinc/18/78/31/804187831.db2.gz HHJYQBUCAXFCIZ-UHFFFAOYSA-N 2 1 258.456 2.009 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027878583 804315036 /nfs/dbraw/zinc/31/50/36/804315036.db2.gz DQUQQEOSXUSEGM-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001027878583 804315047 /nfs/dbraw/zinc/31/50/47/804315047.db2.gz DQUQQEOSXUSEGM-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001027878583 804315057 /nfs/dbraw/zinc/31/50/57/804315057.db2.gz DQUQQEOSXUSEGM-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CCC[C@@H](CNC(=[NH2+])NCc2ccc(C)cc2)C1 ZINC001118410822 815011804 /nfs/dbraw/zinc/01/18/04/815011804.db2.gz GZRBSHTZKYIKMT-INIZCTEOSA-N 2 1 288.439 2.341 20 0 CEADMP CCCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268062435 804367872 /nfs/dbraw/zinc/36/78/72/804367872.db2.gz AFJHJWLHHRLGAB-BZUAXINKSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1cncnc1 ZINC001167834667 804418943 /nfs/dbraw/zinc/41/89/43/804418943.db2.gz LPMBTLADHWQZJT-CQSZACIVSA-N 2 1 264.417 2.419 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)CCC(=O)OC ZINC001167841399 804444310 /nfs/dbraw/zinc/44/43/10/804444310.db2.gz MHZMYDAKMVRLLA-AWEZNQCLSA-N 2 1 272.433 2.382 20 0 CEADMP CCOC(=O)C[N@@H+](CC)[C@@H](C)CCC[NH+](CC)CC ZINC001167841421 804444605 /nfs/dbraw/zinc/44/46/05/804444605.db2.gz MTBMMNSKHHTQOG-AWEZNQCLSA-N 2 1 272.433 2.382 20 0 CEADMP CCC/C=C/CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001268256515 804579132 /nfs/dbraw/zinc/57/91/32/804579132.db2.gz IFQOPBNGHRHGRW-KXPUMZMLSA-N 2 1 295.471 2.075 20 0 CEADMP CCC/C=C/CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268256515 804579137 /nfs/dbraw/zinc/57/91/37/804579137.db2.gz IFQOPBNGHRHGRW-KXPUMZMLSA-N 2 1 295.471 2.075 20 0 CEADMP CCC/C=C/CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268256515 804579139 /nfs/dbraw/zinc/57/91/39/804579139.db2.gz IFQOPBNGHRHGRW-KXPUMZMLSA-N 2 1 295.471 2.075 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(C)C ZINC001268372479 804638583 /nfs/dbraw/zinc/63/85/83/804638583.db2.gz ZFJGJBJIZNIWJA-CABCVRRESA-N 2 1 283.460 2.001 20 0 CEADMP CC/C=C\CC[NH+]1CC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001268483490 804741439 /nfs/dbraw/zinc/74/14/39/804741439.db2.gz MMGCLBJINMXFME-JBZXTQMFSA-N 2 1 293.455 2.016 20 0 CEADMP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030033221 807025793 /nfs/dbraw/zinc/02/57/93/807025793.db2.gz RFGAGSMIVWUYGO-PMPSAXMXSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030033221 807025799 /nfs/dbraw/zinc/02/57/99/807025799.db2.gz RFGAGSMIVWUYGO-PMPSAXMXSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030033221 807025805 /nfs/dbraw/zinc/02/58/05/807025805.db2.gz RFGAGSMIVWUYGO-PMPSAXMXSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030033221 807025811 /nfs/dbraw/zinc/02/58/11/807025811.db2.gz RFGAGSMIVWUYGO-PMPSAXMXSA-N 2 1 295.471 2.097 20 0 CEADMP COc1cccc(OCC[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000710041992 804916117 /nfs/dbraw/zinc/91/61/17/804916117.db2.gz WQOVOWDIGUFVKD-CQSZACIVSA-N 2 1 278.396 2.148 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cncc3ccccc32)CC[C@@H]1[NH3+] ZINC000165082648 807037902 /nfs/dbraw/zinc/03/79/02/807037902.db2.gz POIPWQYYERBCSV-LRDDRELGSA-N 2 1 255.365 2.404 20 0 CEADMP CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268868237 804990608 /nfs/dbraw/zinc/99/06/08/804990608.db2.gz DCKZXJCUERRDPT-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001168387844 807046739 /nfs/dbraw/zinc/04/67/39/807046739.db2.gz VZMNATVXWRRJND-BBRMVZONSA-N 2 1 294.439 2.134 20 0 CEADMP CCCC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001270137149 805353716 /nfs/dbraw/zinc/35/37/16/805353716.db2.gz VFSPPVKQZIFZLK-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CC[N@H+](C)Cc1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC001248148007 815071465 /nfs/dbraw/zinc/07/14/65/815071465.db2.gz YRMAEWCOSFUCNY-UHFFFAOYSA-N 2 1 274.368 2.250 20 0 CEADMP CC[N@@H+](C)Cc1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC001248148007 815071471 /nfs/dbraw/zinc/07/14/71/815071471.db2.gz YRMAEWCOSFUCNY-UHFFFAOYSA-N 2 1 274.368 2.250 20 0 CEADMP F[C@@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967535 805489138 /nfs/dbraw/zinc/48/91/38/805489138.db2.gz GVVJGTQSGANNDS-WFDRTZIDSA-N 2 1 282.403 2.108 20 0 CEADMP F[C@@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967535 805489145 /nfs/dbraw/zinc/48/91/45/805489145.db2.gz GVVJGTQSGANNDS-WFDRTZIDSA-N 2 1 282.403 2.108 20 0 CEADMP O=C1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167968737 805493503 /nfs/dbraw/zinc/49/35/03/805493503.db2.gz UXARVWAADRZFCF-UYTSQGDYSA-N 2 1 276.424 2.493 20 0 CEADMP O=C1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968737 805493505 /nfs/dbraw/zinc/49/35/05/805493505.db2.gz UXARVWAADRZFCF-UYTSQGDYSA-N 2 1 276.424 2.493 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981939 805515477 /nfs/dbraw/zinc/51/54/77/805515477.db2.gz QFZBZZWTEKWDPW-FSUMODHMSA-N 2 1 291.483 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981939 805515480 /nfs/dbraw/zinc/51/54/80/805515480.db2.gz QFZBZZWTEKWDPW-FSUMODHMSA-N 2 1 291.483 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981939 805515484 /nfs/dbraw/zinc/51/54/84/805515484.db2.gz QFZBZZWTEKWDPW-FSUMODHMSA-N 2 1 291.483 2.322 20 0 CEADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981939 805515491 /nfs/dbraw/zinc/51/54/91/805515491.db2.gz QFZBZZWTEKWDPW-FSUMODHMSA-N 3 1 291.483 2.322 20 0 CEADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981939 805515498 /nfs/dbraw/zinc/51/54/98/805515498.db2.gz QFZBZZWTEKWDPW-FSUMODHMSA-N 3 1 291.483 2.322 20 0 CEADMP OC[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167983837 805521809 /nfs/dbraw/zinc/52/18/09/805521809.db2.gz JLCPNSZEVSTBNI-HRBLRVMOSA-N 2 1 292.467 2.486 20 0 CEADMP OC[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167983837 805521811 /nfs/dbraw/zinc/52/18/11/805521811.db2.gz JLCPNSZEVSTBNI-HRBLRVMOSA-N 2 1 292.467 2.486 20 0 CEADMP OC[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167983837 805521816 /nfs/dbraw/zinc/52/18/16/805521816.db2.gz JLCPNSZEVSTBNI-HRBLRVMOSA-N 2 1 292.467 2.486 20 0 CEADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@]1(C)O ZINC001167984799 805536836 /nfs/dbraw/zinc/53/68/36/805536836.db2.gz RVLIOVLYVNOSQN-UXRNWYHQSA-N 2 1 292.467 2.485 20 0 CEADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001088858240 807219841 /nfs/dbraw/zinc/21/98/41/807219841.db2.gz UOCMBSIKWYBSFA-XHSDSOJGSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H]1C ZINC001088858240 807219849 /nfs/dbraw/zinc/21/98/49/807219849.db2.gz UOCMBSIKWYBSFA-XHSDSOJGSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H]1C ZINC001088858240 807219856 /nfs/dbraw/zinc/21/98/56/807219856.db2.gz UOCMBSIKWYBSFA-XHSDSOJGSA-N 2 1 293.455 2.016 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCC3(CCC3)CO1)C2 ZINC000716268699 815108800 /nfs/dbraw/zinc/10/88/00/815108800.db2.gz YPBURAZMZRWVQG-AJNGGQMLSA-N 2 1 264.413 2.147 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)CO2)CC[C@H]1[NH3+] ZINC000716279718 815109907 /nfs/dbraw/zinc/10/99/07/815109907.db2.gz SQWWWWUASWWWMN-QLFBSQMISA-N 2 1 266.429 2.395 20 0 CEADMP C([C@@H]1CCC2(CCC2)CO1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000716283203 815110141 /nfs/dbraw/zinc/11/01/41/815110141.db2.gz FQFGJEHTWWKUEG-HNNXBMFYSA-N 2 1 278.440 2.411 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCC2(CCC2)CO1 ZINC000716299573 815111001 /nfs/dbraw/zinc/11/10/01/815111001.db2.gz BIWJEEVDWCVWAT-HZSPNIEDSA-N 2 1 252.402 2.147 20 0 CEADMP CC(C)(C)CC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127257018 807538037 /nfs/dbraw/zinc/53/80/37/807538037.db2.gz UWCIFGJHAZSLHP-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046308186 807542428 /nfs/dbraw/zinc/54/24/28/807542428.db2.gz GUIIWLXOMJFSFG-NVXWUHKLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046308186 807542433 /nfs/dbraw/zinc/54/24/33/807542433.db2.gz GUIIWLXOMJFSFG-NVXWUHKLSA-N 2 1 295.471 2.096 20 0 CEADMP COc1cc(C)cc(OC)c1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205110462 807673490 /nfs/dbraw/zinc/67/34/90/807673490.db2.gz STRJQBGPLYZAEB-CYBMUJFWSA-N 2 1 278.396 2.325 20 0 CEADMP COc1cc(C)cc(OC)c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205110462 807673494 /nfs/dbraw/zinc/67/34/94/807673494.db2.gz STRJQBGPLYZAEB-CYBMUJFWSA-N 2 1 278.396 2.325 20 0 CEADMP OCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716710630 815142934 /nfs/dbraw/zinc/14/29/34/815142934.db2.gz FRLHUGWGVNKXIF-ULQDDVLXSA-N 2 1 274.408 2.012 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000716604191 815142956 /nfs/dbraw/zinc/14/29/56/815142956.db2.gz XBIBOZXDRSCIHC-MJBXVCDLSA-N 2 1 252.402 2.066 20 0 CEADMP C[C@@H](CCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716727921 815144564 /nfs/dbraw/zinc/14/45/64/815144564.db2.gz NLJAKZDVQWUZOZ-DKIMLUQUSA-N 2 1 288.435 2.400 20 0 CEADMP CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235510649 807838577 /nfs/dbraw/zinc/83/85/77/807838577.db2.gz CCWFZYOFFAWVAE-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235510649 807838586 /nfs/dbraw/zinc/83/85/86/807838586.db2.gz CCWFZYOFFAWVAE-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235510649 807838594 /nfs/dbraw/zinc/83/85/94/807838594.db2.gz CCWFZYOFFAWVAE-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@H+](Cc1ccc(N)c(F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216019 808019499 /nfs/dbraw/zinc/01/94/99/808019499.db2.gz JPOVBUBMESMZBV-KGLIPLIRSA-N 2 1 251.349 2.110 20 0 CEADMP C[N@@H+](Cc1ccc(N)c(F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216019 808019506 /nfs/dbraw/zinc/01/95/06/808019506.db2.gz JPOVBUBMESMZBV-KGLIPLIRSA-N 2 1 251.349 2.110 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1c2c(nn1C)CCC2 ZINC000921495932 808060010 /nfs/dbraw/zinc/06/00/10/808060010.db2.gz JRAZQHDDYMQTIM-AWEZNQCLSA-N 2 1 290.455 2.263 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1c2c(nn1C)CCC2 ZINC000921495932 808060015 /nfs/dbraw/zinc/06/00/15/808060015.db2.gz JRAZQHDDYMQTIM-AWEZNQCLSA-N 2 1 290.455 2.263 20 0 CEADMP c1nc(C2CC2)sc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321811 808068147 /nfs/dbraw/zinc/06/81/47/808068147.db2.gz XDTGMBGKRRMKBL-BETUJISGSA-N 2 1 277.437 2.452 20 0 CEADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089616996 808073796 /nfs/dbraw/zinc/07/37/96/808073796.db2.gz QRSQHKVANHOUGK-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001089616996 808073802 /nfs/dbraw/zinc/07/38/02/808073802.db2.gz QRSQHKVANHOUGK-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001089616996 808073807 /nfs/dbraw/zinc/07/38/07/808073807.db2.gz QRSQHKVANHOUGK-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171545242 815188273 /nfs/dbraw/zinc/18/82/73/815188273.db2.gz BVLOAOGUJRHNNR-LSDHHAIUSA-N 2 1 283.460 2.144 20 0 CEADMP C[NH+]1C(C)(C)CC([N@@H+]2C[C@@H](F)C[C@H](CO)C2)CC1(C)C ZINC001171630761 815201830 /nfs/dbraw/zinc/20/18/30/815201830.db2.gz AXOPLHWCUVADMW-STQMWFEESA-N 2 1 286.435 2.290 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H](F)C[C@H](CO)C2)CC1(C)C ZINC001171630761 815201831 /nfs/dbraw/zinc/20/18/31/815201831.db2.gz AXOPLHWCUVADMW-STQMWFEESA-N 2 1 286.435 2.290 20 0 CEADMP C[C@H]1COCC[N@@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171631975 815201915 /nfs/dbraw/zinc/20/19/15/815201915.db2.gz RQRBWUBZBSQRCB-LBPRGKRZSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@H]1COCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171631975 815201917 /nfs/dbraw/zinc/20/19/17/815201917.db2.gz RQRBWUBZBSQRCB-LBPRGKRZSA-N 2 1 254.418 2.359 20 0 CEADMP CC(C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996465141 808404456 /nfs/dbraw/zinc/40/44/56/808404456.db2.gz QQWOQHDFCJKLGG-MRXNPFEDSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCCCC1 ZINC001120208438 815204250 /nfs/dbraw/zinc/20/42/50/815204250.db2.gz ZQLVSIQEYYKESD-HNNXBMFYSA-N 2 1 295.471 2.289 20 0 CEADMP C[C@H](CN(C)C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171618733 815205377 /nfs/dbraw/zinc/20/53/77/815205377.db2.gz AXTDIUCKGHAAIZ-GFCCVEGCSA-N 2 1 255.450 2.178 20 0 CEADMP C[C@@H]1C[C@@H](n2nccc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171727013 815218337 /nfs/dbraw/zinc/21/83/37/815218337.db2.gz NPGYZNLNTRNXRW-CZUORRHYSA-N 2 1 270.380 2.177 20 0 CEADMP C[C@H]1C[C@H](n2cc(CC[NH3+])cn2)C[N@H+]1Cc1ccccc1 ZINC001171728501 815219258 /nfs/dbraw/zinc/21/92/58/815219258.db2.gz ONIPZTJZVGBKHC-YOEHRIQHSA-N 2 1 284.407 2.220 20 0 CEADMP C[C@H]1C[C@H](N2CCC[C@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171727733 815219536 /nfs/dbraw/zinc/21/95/36/815219536.db2.gz GNKGWZBXJJKQFJ-XIRDDKMYSA-N 2 1 273.424 2.073 20 0 CEADMP C[C@H](C[NH3+])CN(C)[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171733021 815220352 /nfs/dbraw/zinc/22/03/52/815220352.db2.gz HHQINLOIWYHYSL-INMHGKMJSA-N 2 1 275.440 2.176 20 0 CEADMP CCC1(Nc2ccc([C@H]3CCCC[N@H+]3C)cn2)C[NH2+]C1 ZINC001168584130 808671286 /nfs/dbraw/zinc/67/12/86/808671286.db2.gz XXSBAUQMMBLYJT-CQSZACIVSA-N 2 1 274.412 2.402 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]C[C@H](C)CC(C)C ZINC001171763242 815227131 /nfs/dbraw/zinc/22/71/31/815227131.db2.gz WHEQUEFCEHCAFX-OAHLLOKOSA-N 2 1 285.476 2.106 20 0 CEADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171759965 815227281 /nfs/dbraw/zinc/22/72/81/815227281.db2.gz OVOUCEQOVWXGJS-OQIJWPOYSA-N 2 1 299.462 2.143 20 0 CEADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171759965 815227287 /nfs/dbraw/zinc/22/72/87/815227287.db2.gz OVOUCEQOVWXGJS-OQIJWPOYSA-N 2 1 299.462 2.143 20 0 CEADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171759965 815227292 /nfs/dbraw/zinc/22/72/92/815227292.db2.gz OVOUCEQOVWXGJS-OQIJWPOYSA-N 2 1 299.462 2.143 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171759965 815227297 /nfs/dbraw/zinc/22/72/97/815227297.db2.gz OVOUCEQOVWXGJS-OQIJWPOYSA-N 2 1 299.462 2.143 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171759965 815227298 /nfs/dbraw/zinc/22/72/98/815227298.db2.gz OVOUCEQOVWXGJS-OQIJWPOYSA-N 2 1 299.462 2.143 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171759965 815227301 /nfs/dbraw/zinc/22/73/01/815227301.db2.gz OVOUCEQOVWXGJS-OQIJWPOYSA-N 2 1 299.462 2.143 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[NH+]3CC[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171767308 815228651 /nfs/dbraw/zinc/22/86/51/815228651.db2.gz MWYCRIKSQQACAQ-KBAYOESNSA-N 2 1 285.435 2.039 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[N@@H+]3CC[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171767308 815228653 /nfs/dbraw/zinc/22/86/53/815228653.db2.gz MWYCRIKSQQACAQ-KBAYOESNSA-N 2 1 285.435 2.039 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[N@H+]3CC[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171767308 815228657 /nfs/dbraw/zinc/22/86/57/815228657.db2.gz MWYCRIKSQQACAQ-KBAYOESNSA-N 2 1 285.435 2.039 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CCC ZINC001168615723 808734722 /nfs/dbraw/zinc/73/47/22/808734722.db2.gz SVIJQLIUYOWFIO-UHFFFAOYSA-N 2 1 271.449 2.004 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)[C@H]1Cc2cccc(F)c2C1 ZINC001171791041 815236837 /nfs/dbraw/zinc/23/68/37/815236837.db2.gz XXABMCFFXBCFHJ-ZDUSSCGKSA-N 2 1 250.361 2.176 20 0 CEADMP CC[NH+](CC)CCCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001120611991 815246479 /nfs/dbraw/zinc/24/64/79/815246479.db2.gz UJZWKFUCURDIMT-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C12CCC2 ZINC000453106395 809036007 /nfs/dbraw/zinc/03/60/07/809036007.db2.gz JBBUWTBNCGKHRA-VHDGCEQUSA-N 2 1 277.412 2.375 20 0 CEADMP CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001033125598 809195116 /nfs/dbraw/zinc/19/51/16/809195116.db2.gz FTJUZRBNQFAVTB-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001033125598 809195120 /nfs/dbraw/zinc/19/51/20/809195120.db2.gz FTJUZRBNQFAVTB-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001033125598 809195123 /nfs/dbraw/zinc/19/51/23/809195123.db2.gz FTJUZRBNQFAVTB-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](CC)[C@H](CNc1cc(N)[nH+]cn1)CC(C)C ZINC001120778838 815273021 /nfs/dbraw/zinc/27/30/21/815273021.db2.gz OCNSZURUYPWGQS-LBPRGKRZSA-N 2 1 265.405 2.227 20 0 CEADMP CCC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033546511 809334230 /nfs/dbraw/zinc/33/42/30/809334230.db2.gz DUYHFIVJSPPHJG-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP N[C@@H]1CC[N@@H+](CCCc2ccccc2)CC[C@@H]1F ZINC001206156798 815281015 /nfs/dbraw/zinc/28/10/15/815281015.db2.gz SVLYELFBLSCNJI-LSDHHAIUSA-N 2 1 250.361 2.380 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](CCCc2ccccc2)CC[C@@H]1F ZINC001206156798 815281021 /nfs/dbraw/zinc/28/10/21/815281021.db2.gz SVLYELFBLSCNJI-LSDHHAIUSA-N 2 1 250.361 2.380 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](CCCc2ccccc2)CC[C@@H]1F ZINC001206156798 815281024 /nfs/dbraw/zinc/28/10/24/815281024.db2.gz SVLYELFBLSCNJI-LSDHHAIUSA-N 2 1 250.361 2.380 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000700791241 809348514 /nfs/dbraw/zinc/34/85/14/809348514.db2.gz IOZMXUFQVXXCEN-GXTWGEPZSA-N 2 1 262.401 2.109 20 0 CEADMP Cc1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000700815292 809357079 /nfs/dbraw/zinc/35/70/79/809357079.db2.gz FDOSQRLPSWZXRL-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP Cc1ncc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)s1 ZINC000700815292 809357088 /nfs/dbraw/zinc/35/70/88/809357088.db2.gz FDOSQRLPSWZXRL-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1C[C@H]([NH3+])Cc3ccccc31)C2 ZINC001172100786 815284481 /nfs/dbraw/zinc/28/44/81/815284481.db2.gz TXCNIMPFUQVHKM-WCXIOVBPSA-N 2 1 285.435 2.392 20 0 CEADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033765196 809409520 /nfs/dbraw/zinc/40/95/20/809409520.db2.gz ADVJKQNXXHEQLE-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001033765196 809409524 /nfs/dbraw/zinc/40/95/24/809409524.db2.gz ADVJKQNXXHEQLE-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H]3C[C@H]1C[C@@H]3F)C2 ZINC001172127976 815287152 /nfs/dbraw/zinc/28/71/52/815287152.db2.gz MMGMOXFZGGEMNR-LOVFCKMRSA-N 2 1 252.377 2.434 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@@H]3C[C@H]1C[C@@H]3F)C2 ZINC001172127976 815287156 /nfs/dbraw/zinc/28/71/56/815287156.db2.gz MMGMOXFZGGEMNR-LOVFCKMRSA-N 2 1 252.377 2.434 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@@H]3C[C@H]1C[C@@H]3F)C2 ZINC001172127976 815287160 /nfs/dbraw/zinc/28/71/60/815287160.db2.gz MMGMOXFZGGEMNR-LOVFCKMRSA-N 2 1 252.377 2.434 20 0 CEADMP C[C@@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000701570593 809444414 /nfs/dbraw/zinc/44/44/14/809444414.db2.gz XMGASPKTPBLSAF-BFHYXJOUSA-N 2 1 299.459 2.362 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H](C)CO1 ZINC001172129052 815289850 /nfs/dbraw/zinc/28/98/50/815289850.db2.gz VUYSHKPCFMXZPI-ARILJUKYSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)CO1 ZINC001172129052 815289853 /nfs/dbraw/zinc/28/98/53/815289853.db2.gz VUYSHKPCFMXZPI-ARILJUKYSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](C)CO1 ZINC001172129052 815289857 /nfs/dbraw/zinc/28/98/57/815289857.db2.gz VUYSHKPCFMXZPI-ARILJUKYSA-N 2 1 252.402 2.111 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128784108 809460787 /nfs/dbraw/zinc/46/07/87/809460787.db2.gz LIFBLHGQXNFZRK-OAHLLOKOSA-N 2 1 283.460 2.147 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCC[NH+](C)CC1)C2 ZINC001172104809 815295459 /nfs/dbraw/zinc/29/54/59/815295459.db2.gz GFUXDRZUXVNTNX-FPCVCCKLSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCC[N@H+](C)CC1)C2 ZINC001172104809 815295464 /nfs/dbraw/zinc/29/54/64/815295464.db2.gz GFUXDRZUXVNTNX-FPCVCCKLSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCC[N@@H+](C)CC1)C2 ZINC001172104809 815295466 /nfs/dbraw/zinc/29/54/66/815295466.db2.gz GFUXDRZUXVNTNX-FPCVCCKLSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+](C)[C@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105089 815295700 /nfs/dbraw/zinc/29/57/00/815295700.db2.gz GKQACRMBFLVELK-KSWRQPAISA-N 2 1 279.472 2.464 20 0 CEADMP CCOC(CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)OCC ZINC001172105696 815296171 /nfs/dbraw/zinc/29/61/71/815296171.db2.gz JFEOJTVLIAUPNX-QDMKHBRRSA-N 2 1 284.444 2.381 20 0 CEADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034131914 809527833 /nfs/dbraw/zinc/52/78/33/809527833.db2.gz OWJRRZCOZIRZKT-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034131914 809527847 /nfs/dbraw/zinc/52/78/47/809527847.db2.gz OWJRRZCOZIRZKT-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034131914 809527852 /nfs/dbraw/zinc/52/78/52/809527852.db2.gz OWJRRZCOZIRZKT-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CC(C)(C)O1)C2 ZINC001172107489 815296777 /nfs/dbraw/zinc/29/67/77/815296777.db2.gz YIGJMJIEUXMOOF-XJFOESAGSA-N 2 1 252.402 2.159 20 0 CEADMP CCCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172108419 815297504 /nfs/dbraw/zinc/29/75/04/815297504.db2.gz WGXVSGBNDSMNPT-ZQDZILKHSA-N 2 1 254.418 2.142 20 0 CEADMP CCCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172108419 815297510 /nfs/dbraw/zinc/29/75/10/815297510.db2.gz WGXVSGBNDSMNPT-ZQDZILKHSA-N 2 1 254.418 2.142 20 0 CEADMP COc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC001172109771 815297665 /nfs/dbraw/zinc/29/76/65/815297665.db2.gz LCFRJFDEQYTHEP-QKDCVEJESA-N 2 1 275.396 2.195 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nc1 ZINC001172109771 815297672 /nfs/dbraw/zinc/29/76/72/815297672.db2.gz LCFRJFDEQYTHEP-QKDCVEJESA-N 2 1 275.396 2.195 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC001172109771 815297676 /nfs/dbraw/zinc/29/76/76/815297676.db2.gz LCFRJFDEQYTHEP-QKDCVEJESA-N 2 1 275.396 2.195 20 0 CEADMP CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034217305 809554524 /nfs/dbraw/zinc/55/45/24/809554524.db2.gz QEIOYXRKFPTESL-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001034217305 809554529 /nfs/dbraw/zinc/55/45/29/809554529.db2.gz QEIOYXRKFPTESL-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001034217305 809554534 /nfs/dbraw/zinc/55/45/34/809554534.db2.gz QEIOYXRKFPTESL-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncn1CC1CC1)C2 ZINC001172112118 815299554 /nfs/dbraw/zinc/29/95/54/815299554.db2.gz RQZGBFHBRQRYQQ-PHZGNYQRSA-N 2 1 288.439 2.398 20 0 CEADMP CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172110902 815300554 /nfs/dbraw/zinc/30/05/54/815300554.db2.gz QZXDCTLEVHMSFY-YQLLOFTFSA-N 2 1 293.455 2.039 20 0 CEADMP CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172110902 815300560 /nfs/dbraw/zinc/30/05/60/815300560.db2.gz QZXDCTLEVHMSFY-YQLLOFTFSA-N 2 1 293.455 2.039 20 0 CEADMP CCC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340797 809581114 /nfs/dbraw/zinc/58/11/14/809581114.db2.gz VJQJCOUCYKBLCP-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP COCC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172114225 815302358 /nfs/dbraw/zinc/30/23/58/815302358.db2.gz PNCAYYKOHRYGLH-ZSHCYNCHSA-N 2 1 266.429 2.360 20 0 CEADMP COCC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172114225 815302361 /nfs/dbraw/zinc/30/23/61/815302361.db2.gz PNCAYYKOHRYGLH-ZSHCYNCHSA-N 2 1 266.429 2.360 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(CCO)c1)C2 ZINC001172113268 815303572 /nfs/dbraw/zinc/30/35/72/815303572.db2.gz FWKNCTYBFCKEIE-BCDXTJNWSA-N 2 1 288.435 2.326 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172114068 815304125 /nfs/dbraw/zinc/30/41/25/815304125.db2.gz OTCDGLPVUKRPMC-DGADGQDISA-N 2 1 294.439 2.323 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172114068 815304130 /nfs/dbraw/zinc/30/41/30/815304130.db2.gz OTCDGLPVUKRPMC-DGADGQDISA-N 2 1 294.439 2.323 20 0 CEADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001034539224 809628201 /nfs/dbraw/zinc/62/82/01/809628201.db2.gz YKVKCZNQYYBRMQ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001034539224 809628204 /nfs/dbraw/zinc/62/82/04/809628204.db2.gz YKVKCZNQYYBRMQ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1CO ZINC001172116897 815305018 /nfs/dbraw/zinc/30/50/18/815305018.db2.gz DSPAAGCDSXZOKZ-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1CO ZINC001172116897 815305025 /nfs/dbraw/zinc/30/50/25/815305025.db2.gz DSPAAGCDSXZOKZ-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1CO ZINC001172116897 815305032 /nfs/dbraw/zinc/30/50/32/815305032.db2.gz DSPAAGCDSXZOKZ-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1CO ZINC001172116897 815305038 /nfs/dbraw/zinc/30/50/38/815305038.db2.gz DSPAAGCDSXZOKZ-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001034661833 809654829 /nfs/dbraw/zinc/65/48/29/809654829.db2.gz JXHGPCHBENDNTD-BZUAXINKSA-N 2 1 295.471 2.001 20 0 CEADMP COC(=O)C1(C)CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001168756134 809662026 /nfs/dbraw/zinc/66/20/26/809662026.db2.gz XXBUOWRFTVRWRK-ZTPJQAPRSA-N 2 1 294.439 2.323 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1F ZINC001117953863 809664876 /nfs/dbraw/zinc/66/48/76/809664876.db2.gz SDDZQNNNBIBPGS-CMPLNLGQSA-N 2 1 252.333 2.064 20 0 CEADMP FC(F)(F)C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000703808455 809692710 /nfs/dbraw/zinc/69/27/10/809692710.db2.gz GSJSOCWDOQPUKJ-PSEXLTFBSA-N 2 1 292.345 2.170 20 0 CEADMP COC(=O)[C@@]1(C)CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121824 815311920 /nfs/dbraw/zinc/31/19/20/815311920.db2.gz TYKIYHVCUOYRKB-ORIJERBGSA-N 2 1 280.412 2.029 20 0 CEADMP COC(=O)[C@@]1(C)CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121824 815311927 /nfs/dbraw/zinc/31/19/27/815311927.db2.gz TYKIYHVCUOYRKB-ORIJERBGSA-N 2 1 280.412 2.029 20 0 CEADMP COC(=O)[C@@]1(C)CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121824 815311933 /nfs/dbraw/zinc/31/19/33/815311933.db2.gz TYKIYHVCUOYRKB-ORIJERBGSA-N 2 1 280.412 2.029 20 0 CEADMP COC(=O)[C@@]1(C)CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121824 815311938 /nfs/dbraw/zinc/31/19/38/815311938.db2.gz TYKIYHVCUOYRKB-ORIJERBGSA-N 2 1 280.412 2.029 20 0 CEADMP CN(Cc1ccc(O)c(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705197015 809775641 /nfs/dbraw/zinc/77/56/41/809775641.db2.gz KRYUYMQQCWXGCU-CYBMUJFWSA-N 2 1 266.360 2.305 20 0 CEADMP C[N@@H+](Cc1ccc(O)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000705197015 809775645 /nfs/dbraw/zinc/77/56/45/809775645.db2.gz KRYUYMQQCWXGCU-CYBMUJFWSA-N 2 1 266.360 2.305 20 0 CEADMP C[N@H+](Cc1ccc(O)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000705197015 809775648 /nfs/dbraw/zinc/77/56/48/809775648.db2.gz KRYUYMQQCWXGCU-CYBMUJFWSA-N 2 1 266.360 2.305 20 0 CEADMP C[NH+](Cc1ccc(O)c(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000705197015 809775650 /nfs/dbraw/zinc/77/56/50/809775650.db2.gz KRYUYMQQCWXGCU-CYBMUJFWSA-N 2 1 266.360 2.305 20 0 CEADMP C[NH+](Cc1ccc(O)c(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705197015 809775655 /nfs/dbraw/zinc/77/56/55/809775655.db2.gz KRYUYMQQCWXGCU-CYBMUJFWSA-N 2 1 266.360 2.305 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000706557777 809834545 /nfs/dbraw/zinc/83/45/45/809834545.db2.gz UXKXXZWMCKXYGA-ZDUSSCGKSA-N 2 1 299.459 2.316 20 0 CEADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172162680 815325646 /nfs/dbraw/zinc/32/56/46/815325646.db2.gz YQGPFZCOCPFUCJ-VGWMRTNUSA-N 2 1 293.455 2.120 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)CC[C@@H]1[NH3+] ZINC000709688588 809952711 /nfs/dbraw/zinc/95/27/11/809952711.db2.gz SQGFFECVNXIBQM-AGIUHOORSA-N 2 1 254.418 2.249 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)CC[C@H]1[NH3+] ZINC000709688590 809952834 /nfs/dbraw/zinc/95/28/34/809952834.db2.gz SQGFFECVNXIBQM-JHJVBQTASA-N 2 1 254.418 2.249 20 0 CEADMP CC1(C)C[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C(C)(C)O1 ZINC000709703925 809954236 /nfs/dbraw/zinc/95/42/36/809954236.db2.gz VEHFHTVOTMLZHX-MGPQQGTHSA-N 2 1 266.429 2.264 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C(C)(C)O1 ZINC000709703925 809954241 /nfs/dbraw/zinc/95/42/41/809954241.db2.gz VEHFHTVOTMLZHX-MGPQQGTHSA-N 2 1 266.429 2.264 20 0 CEADMP COC1(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CCCC1 ZINC000709904250 809975471 /nfs/dbraw/zinc/97/54/71/809975471.db2.gz MRUGUIKNPNOIAJ-AWEZNQCLSA-N 2 1 252.402 2.021 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)CC[C@@H]1F ZINC001206163135 815334009 /nfs/dbraw/zinc/33/40/09/815334009.db2.gz AEXRUSVEAOSUGJ-GJZGRUSLSA-N 2 1 278.371 2.273 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)CC[C@H]1C[NH3+] ZINC000711229113 810050336 /nfs/dbraw/zinc/05/03/36/810050336.db2.gz WJGCSTVKBQFIQU-RDBSUJKOSA-N 2 1 268.445 2.497 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2CC3CC2(C[NH3+])C3)C(C)(C)O1 ZINC000711335811 810059072 /nfs/dbraw/zinc/05/90/72/810059072.db2.gz WUTZGRMFYLSRDZ-AVERBVTBSA-N 2 1 252.402 2.003 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)CC[N@H+]1C ZINC000711496337 810079128 /nfs/dbraw/zinc/07/91/28/810079128.db2.gz QUBZVDINQKZIPP-RDBSUJKOSA-N 2 1 252.402 2.160 20 0 CEADMP CCOC(=O)[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923372023 810089221 /nfs/dbraw/zinc/08/92/21/810089221.db2.gz FAMKYVTZNMHAII-PNRVRQOCSA-N 2 1 294.439 2.182 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711926109 810106912 /nfs/dbraw/zinc/10/69/12/810106912.db2.gz RFDOLKWZBCGFSX-HOTGVXAUSA-N 2 1 277.412 2.376 20 0 CEADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)[C@H](C)C1 ZINC001172239012 815354585 /nfs/dbraw/zinc/35/45/85/815354585.db2.gz ZUHQBMSWOKLIDM-SDKNFDLMSA-N 2 1 264.413 2.181 20 0 CEADMP COCCCN1CCC([N@@H+]2CC3CCC2CC3)CC1 ZINC001172255943 815359785 /nfs/dbraw/zinc/35/97/85/815359785.db2.gz PEEORASLQQLLPS-UHFFFAOYSA-N 2 1 266.429 2.362 20 0 CEADMP CC[C@@H]1CC[N@@H+](C2CC[NH+](CCCOC)CC2)C1 ZINC001172257657 815359820 /nfs/dbraw/zinc/35/98/20/815359820.db2.gz QIGSJHNPKDOUCU-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CC[C@@H]1CC[N@H+](C2CC[NH+](CCCOC)CC2)C1 ZINC001172257657 815359825 /nfs/dbraw/zinc/35/98/25/815359825.db2.gz QIGSJHNPKDOUCU-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001015792360 810355799 /nfs/dbraw/zinc/35/57/99/810355799.db2.gz VMGWKTZLEGMEIU-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015792360 810355803 /nfs/dbraw/zinc/35/58/03/810355803.db2.gz VMGWKTZLEGMEIU-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015792360 810355810 /nfs/dbraw/zinc/35/58/10/810355810.db2.gz VMGWKTZLEGMEIU-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC001206556871 810531509 /nfs/dbraw/zinc/53/15/09/810531509.db2.gz YSHBSKNKYOZMQM-KRWDZBQOSA-N 2 1 290.407 2.409 20 0 CEADMP CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001017704962 810545024 /nfs/dbraw/zinc/54/50/24/810545024.db2.gz PHKDJEFALXYGOX-GASCZTMLSA-N 2 1 298.390 2.033 20 0 CEADMP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085217633 810696360 /nfs/dbraw/zinc/69/63/60/810696360.db2.gz KDSZDQXIDSITJR-OAGGEKHMSA-N 2 1 295.471 2.288 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCOC(C)(C)C2)CCC[C@@H]1C[NH3+] ZINC001205985655 810731474 /nfs/dbraw/zinc/73/14/74/810731474.db2.gz ZGJMKPIXXCTMBB-QLFBSQMISA-N 2 1 268.445 2.498 20 0 CEADMP CO[C@@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000379287990 810738647 /nfs/dbraw/zinc/73/86/47/810738647.db2.gz UFNODAROORUIFR-INIZCTEOSA-N 2 1 274.408 2.450 20 0 CEADMP Cc1c[nH+]c(N[C@@H]2CCC[C@@H]([NH3+])C2)nc1NC(C)C ZINC001154977554 810875095 /nfs/dbraw/zinc/87/50/95/810875095.db2.gz OIHDAQOICZYPHN-VXGBXAGGSA-N 2 1 263.389 2.287 20 0 CEADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC=C(C)C ZINC001039046685 810975459 /nfs/dbraw/zinc/97/54/59/810975459.db2.gz AVVWSIZJWUXOJH-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CC=C(C)C ZINC001039046685 810975461 /nfs/dbraw/zinc/97/54/61/810975461.db2.gz AVVWSIZJWUXOJH-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC=C(C)C ZINC001039046685 810975463 /nfs/dbraw/zinc/97/54/63/810975463.db2.gz AVVWSIZJWUXOJH-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC=C(C)C ZINC001039046685 810975464 /nfs/dbraw/zinc/97/54/64/810975464.db2.gz AVVWSIZJWUXOJH-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)OCC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001172435596 815415157 /nfs/dbraw/zinc/41/51/57/815415157.db2.gz HTHOHYRZTBSVRZ-ZDUSSCGKSA-N 2 1 254.418 2.406 20 0 CEADMP CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040397699 811110637 /nfs/dbraw/zinc/11/06/37/811110637.db2.gz CIIVORTUSQXELH-DOTOQJQBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000245415286 811122733 /nfs/dbraw/zinc/12/27/33/811122733.db2.gz DCWYRIBOCMPJBC-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000245415286 811122741 /nfs/dbraw/zinc/12/27/41/811122741.db2.gz DCWYRIBOCMPJBC-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000245415286 811122746 /nfs/dbraw/zinc/12/27/46/811122746.db2.gz DCWYRIBOCMPJBC-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001155811822 811141746 /nfs/dbraw/zinc/14/17/46/811141746.db2.gz KJUSUMNMYCLHMM-MRXNPFEDSA-N 2 1 293.455 2.067 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCc2ccsc2[C@H]1C ZINC000712302379 811183129 /nfs/dbraw/zinc/18/31/29/811183129.db2.gz XODBQWMRJGQMCM-OCCSQVGLSA-N 2 1 282.453 2.368 20 0 CEADMP Cc1cc(N(CC[NH3+])c2cccnc2)c2[nH+]ccn2c1 ZINC001168836580 811263533 /nfs/dbraw/zinc/26/35/33/811263533.db2.gz OQFWHURITHLTBW-UHFFFAOYSA-N 2 1 267.336 2.135 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1nc(CC[NH3+])c3ccccc31)C2 ZINC001169101503 811371488 /nfs/dbraw/zinc/37/14/88/811371488.db2.gz SYLFXKCLBIGAIC-BTTYYORXSA-N 2 1 284.407 2.335 20 0 CEADMP COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1O ZINC001169089300 811379292 /nfs/dbraw/zinc/37/92/92/811379292.db2.gz AYNZIGULLLUFIF-BTTYYORXSA-N 2 1 276.380 2.116 20 0 CEADMP COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1O ZINC001169089300 811379303 /nfs/dbraw/zinc/37/93/03/811379303.db2.gz AYNZIGULLLUFIF-BTTYYORXSA-N 2 1 276.380 2.116 20 0 CEADMP COc1cccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169081786 811380826 /nfs/dbraw/zinc/38/08/26/811380826.db2.gz WMTLIALOPYTSSN-PHZGNYQRSA-N 2 1 274.408 2.453 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC1CCOCC1)C2 ZINC001169082334 811381088 /nfs/dbraw/zinc/38/10/88/811381088.db2.gz YQVZLZYZDNYTPR-QDMKHBRRSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(c3ccccc3)COC1)C2 ZINC001169090713 811382800 /nfs/dbraw/zinc/38/28/00/811382800.db2.gz LMJUVPHHJKJFQK-OSYLJGHBSA-N 2 1 286.419 2.169 20 0 CEADMP CC(C)OCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172453209 815443359 /nfs/dbraw/zinc/44/33/59/815443359.db2.gz FCXOFKADFYLNRL-RRFJBIMHSA-N 2 1 254.418 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(CC3CC3)CC1)C2 ZINC001169116953 811387859 /nfs/dbraw/zinc/38/78/59/811387859.db2.gz UVVBOVTWUUDQRI-MUJYYYPQSA-N 2 1 277.456 2.205 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@H](CCC[NH3+])C1)C2 ZINC001169122811 811388475 /nfs/dbraw/zinc/38/84/75/811388475.db2.gz DVTPDLFMOIYBAT-WCXIOVBPSA-N 3 1 279.472 2.453 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@H](CCC[NH3+])C1)C2 ZINC001169122811 811388483 /nfs/dbraw/zinc/38/84/83/811388483.db2.gz DVTPDLFMOIYBAT-WCXIOVBPSA-N 3 1 279.472 2.453 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@H](CCC[NH3+])C1)C2 ZINC001169122811 811388492 /nfs/dbraw/zinc/38/84/92/811388492.db2.gz DVTPDLFMOIYBAT-WCXIOVBPSA-N 3 1 279.472 2.453 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@H](CCC[NH3+])C1)C2 ZINC001169122811 811388498 /nfs/dbraw/zinc/38/84/98/811388498.db2.gz DVTPDLFMOIYBAT-WCXIOVBPSA-N 2 1 279.472 2.453 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@H](CCC[NH3+])C1)C2 ZINC001169122811 811388510 /nfs/dbraw/zinc/38/85/10/811388510.db2.gz DVTPDLFMOIYBAT-WCXIOVBPSA-N 2 1 279.472 2.453 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C[C@H]3CCO)CC1)C2 ZINC001169129220 811396534 /nfs/dbraw/zinc/39/65/34/811396534.db2.gz INMNVKRZPJXEJX-LVQVYYBASA-N 2 1 278.440 2.096 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C[C@H]3CCO)CC1)C2 ZINC001169129220 811396542 /nfs/dbraw/zinc/39/65/42/811396542.db2.gz INMNVKRZPJXEJX-LVQVYYBASA-N 2 1 278.440 2.096 20 0 CEADMP CC(C)OCC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172457151 815444580 /nfs/dbraw/zinc/44/45/80/815444580.db2.gz RVTHRQQNYWGSJT-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)OCC[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001172457151 815444584 /nfs/dbraw/zinc/44/45/84/815444584.db2.gz RVTHRQQNYWGSJT-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)OCC[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001172457151 815444586 /nfs/dbraw/zinc/44/45/86/815444586.db2.gz RVTHRQQNYWGSJT-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP CCOC(=O)C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169127133 811397761 /nfs/dbraw/zinc/39/77/61/811397761.db2.gz ZXBGSJIULYYLEI-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169127133 811397769 /nfs/dbraw/zinc/39/77/69/811397769.db2.gz ZXBGSJIULYYLEI-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169127133 811397776 /nfs/dbraw/zinc/39/77/76/811397776.db2.gz ZXBGSJIULYYLEI-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@H]1C[NH+]1CCCC1)C2 ZINC001169140143 811400752 /nfs/dbraw/zinc/40/07/52/811400752.db2.gz HQHVXGDJOIADLM-TWMKSMIVSA-N 2 1 277.456 2.172 20 0 CEADMP CC(C)C[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169107473 811400832 /nfs/dbraw/zinc/40/08/32/811400832.db2.gz HQXVDIMMHOJFBQ-OSYLJGHBSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOC1CCCC1)C2 ZINC001169108313 811403574 /nfs/dbraw/zinc/40/35/74/811403574.db2.gz QYARJIFWQFWLGV-BTTYYORXSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@H]([NH+]3CCCCC3)C1)C2 ZINC001169140949 811405946 /nfs/dbraw/zinc/40/59/46/811405946.db2.gz MWMBFHMNKNKYSP-YYIAUSFCSA-N 2 1 277.456 2.172 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(CC[NH3+])c3c[nH+]ccc31)C2 ZINC001169114921 811406101 /nfs/dbraw/zinc/40/61/01/811406101.db2.gz ZTZRKHFEKYRLNY-FICVDOATSA-N 3 1 284.407 2.335 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(CC[NH3+])c3cnccc31)C2 ZINC001169114921 811406105 /nfs/dbraw/zinc/40/61/05/811406105.db2.gz ZTZRKHFEKYRLNY-FICVDOATSA-N 2 1 284.407 2.335 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(CC[NH3+])c3cnccc31)C2 ZINC001169114921 811406110 /nfs/dbraw/zinc/40/61/10/811406110.db2.gz ZTZRKHFEKYRLNY-FICVDOATSA-N 2 1 284.407 2.335 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC1CC[NH+](CC3CCC3)CC1)C2 ZINC001169113881 811406598 /nfs/dbraw/zinc/40/65/98/811406598.db2.gz VCMSJYRKOVZJEP-NNZMDNLPSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](c3ccccn3)C1)C2 ZINC001169142775 811407697 /nfs/dbraw/zinc/40/76/97/811407697.db2.gz VKIOTVMPNZHCDU-WCVJEAGWSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](c3ccccn3)C1)C2 ZINC001169142775 811407701 /nfs/dbraw/zinc/40/77/01/811407701.db2.gz VKIOTVMPNZHCDU-WCVJEAGWSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](c3ccccn3)C1)C2 ZINC001169142775 811407704 /nfs/dbraw/zinc/40/77/04/811407704.db2.gz VKIOTVMPNZHCDU-WCVJEAGWSA-N 2 1 271.408 2.496 20 0 CEADMP CC[NH+](CC)[C@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169142388 811409486 /nfs/dbraw/zinc/40/94/86/811409486.db2.gz CFTQCDMUMPFGFC-FZKCQIBNSA-N 2 1 265.445 2.028 20 0 CEADMP [NH3+]Cc1cccc2c1cnn2-c1cccn2c[nH+]cc12 ZINC001169192030 811424612 /nfs/dbraw/zinc/42/46/12/811424612.db2.gz GKYJDRVARZHSCS-UHFFFAOYSA-N 2 1 263.304 2.132 20 0 CEADMP CC[NH+]1CCC([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC001169230074 811443951 /nfs/dbraw/zinc/44/39/51/811443951.db2.gz NMEYJPKVXYWZMW-UHFFFAOYSA-N 2 1 299.459 2.364 20 0 CEADMP CC[NH+]1CCC(N2CC[N@@H+](C)CC23CCCC3)CC1 ZINC001169264928 811453939 /nfs/dbraw/zinc/45/39/39/811453939.db2.gz UHDNVANLQGURHV-UHFFFAOYSA-N 2 1 265.445 2.031 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[N@@H+](C(C)C)C1CCN(C)CC1 ZINC001169490642 811549645 /nfs/dbraw/zinc/54/96/45/811549645.db2.gz UAHAXZCUJYPSSW-OAHLLOKOSA-N 2 1 297.487 2.438 20 0 CEADMP CC(=O)N1CC[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169527436 811553852 /nfs/dbraw/zinc/55/38/52/811553852.db2.gz VZMYLYNVOYKLMC-XIRDDKMYSA-N 2 1 293.455 2.122 20 0 CEADMP Cc1cccc2c(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)[nH]nc21 ZINC001206165085 815458518 /nfs/dbraw/zinc/45/85/18/815458518.db2.gz MCPNGJPBXVZPNU-OLZOCXBDSA-N 2 1 276.359 2.133 20 0 CEADMP Cc1cccc2c(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)[nH]nc21 ZINC001206165085 815458522 /nfs/dbraw/zinc/45/85/22/815458522.db2.gz MCPNGJPBXVZPNU-OLZOCXBDSA-N 2 1 276.359 2.133 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1OC ZINC001206165886 815459871 /nfs/dbraw/zinc/45/98/71/815459871.db2.gz PQXGNPNYVKTCCV-KBPBESRZSA-N 2 1 296.386 2.273 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1OC ZINC001206165886 815459874 /nfs/dbraw/zinc/45/98/74/815459874.db2.gz PQXGNPNYVKTCCV-KBPBESRZSA-N 2 1 296.386 2.273 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169647244 811604943 /nfs/dbraw/zinc/60/49/43/811604943.db2.gz YQLYYWDVJQOAQJ-CQSZACIVSA-N 2 1 285.432 2.058 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(N)c(F)c2)CCC[C@H]1C[NH3+] ZINC001206022844 811687576 /nfs/dbraw/zinc/68/75/76/811687576.db2.gz DCEBWGZMVJYLIW-AAEUAGOBSA-N 2 1 265.376 2.215 20 0 CEADMP COc1cncc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1C ZINC001206024392 811713428 /nfs/dbraw/zinc/71/34/28/811713428.db2.gz JIMRFYKABIMMAG-TZMCWYRMSA-N 2 1 277.412 2.205 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172600862 815470028 /nfs/dbraw/zinc/47/00/28/815470028.db2.gz ZOANUUYWGXIFET-NPJQDHAYSA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172600862 815470030 /nfs/dbraw/zinc/47/00/30/815470030.db2.gz ZOANUUYWGXIFET-NPJQDHAYSA-N 2 1 294.439 2.323 20 0 CEADMP CC(C)[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046741644 811809103 /nfs/dbraw/zinc/80/91/03/811809103.db2.gz KZNZBSOMRMXODC-QGZVFWFLSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109714311 811933214 /nfs/dbraw/zinc/93/32/14/811933214.db2.gz GOUWYWHSRHZJSO-QXSJWSMHSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)C ZINC001110021586 811984895 /nfs/dbraw/zinc/98/48/95/811984895.db2.gz FXILOMGFMHWONC-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C ZINC001110021586 811984899 /nfs/dbraw/zinc/98/48/99/811984899.db2.gz FXILOMGFMHWONC-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206173553 815489858 /nfs/dbraw/zinc/48/98/58/815489858.db2.gz IERFEXKNYWTDJB-KBPBESRZSA-N 2 1 254.324 2.395 20 0 CEADMP CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049708294 812196351 /nfs/dbraw/zinc/19/63/51/812196351.db2.gz FPULUDIKHBSMAH-BZUAXINKSA-N 2 1 295.471 2.048 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001113345932 812224823 /nfs/dbraw/zinc/22/48/23/812224823.db2.gz KIPXAUCZFFIPCC-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001113345932 812224830 /nfs/dbraw/zinc/22/48/30/812224830.db2.gz KIPXAUCZFFIPCC-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001170222023 812337369 /nfs/dbraw/zinc/33/73/69/812337369.db2.gz IKBFMGJYZXQENY-UHFFFAOYSA-N 2 1 295.471 2.004 20 0 CEADMP [NH3+]CC[N@H+](CCO)C1CCC(Cc2ccccc2)CC1 ZINC001172816598 815526546 /nfs/dbraw/zinc/52/65/46/815526546.db2.gz KCMUJHNHYCJDCY-UHFFFAOYSA-N 2 1 276.424 2.041 20 0 CEADMP [NH3+]CC[N@@H+](CCO)C1CCC(Cc2ccccc2)CC1 ZINC001172816598 815526549 /nfs/dbraw/zinc/52/65/49/815526549.db2.gz KCMUJHNHYCJDCY-UHFFFAOYSA-N 2 1 276.424 2.041 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680146 812443881 /nfs/dbraw/zinc/44/38/81/812443881.db2.gz GIFBQZAQLOMSFX-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052716239 812450756 /nfs/dbraw/zinc/45/07/56/812450756.db2.gz LAATVEZIBIFAHY-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001052716239 812450757 /nfs/dbraw/zinc/45/07/57/812450757.db2.gz LAATVEZIBIFAHY-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052716239 812450759 /nfs/dbraw/zinc/45/07/59/812450759.db2.gz LAATVEZIBIFAHY-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CCCC1CCC1 ZINC001129839981 812514986 /nfs/dbraw/zinc/51/49/86/812514986.db2.gz CXUFCOSOJKVXDS-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130190012 812543142 /nfs/dbraw/zinc/54/31/42/812543142.db2.gz VFGSWEUAARNNQD-CVEARBPZSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC1CCCCCC1 ZINC001130300633 812556523 /nfs/dbraw/zinc/55/65/23/812556523.db2.gz SSCQKVLGXQFUNH-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)C1 ZINC001170535301 812635972 /nfs/dbraw/zinc/63/59/72/812635972.db2.gz AOKQQAFPHQJNFT-LJISPDSOSA-N 2 1 282.428 2.037 20 0 CEADMP Cc1c[nH+]c(N[C@H](C)[C@H]2C[NH2+]CCO2)c2ccccc12 ZINC001170565591 812683307 /nfs/dbraw/zinc/68/33/07/812683307.db2.gz VUOGUCQLMNTXGD-IUODEOHRSA-N 2 1 271.364 2.332 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3[nH]c(C)cc3C)C[C@H]2C1 ZINC001137332551 812692302 /nfs/dbraw/zinc/69/23/02/812692302.db2.gz YOWSYGVYNBLKMA-HUUCEWRRSA-N 2 1 261.413 2.405 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3[nH]c(C)cc3C)C[C@@H]2C1 ZINC001137332549 812693029 /nfs/dbraw/zinc/69/30/29/812693029.db2.gz YOWSYGVYNBLKMA-GASCZTMLSA-N 2 1 261.413 2.405 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3[nH]c(C)cc3C)C[C@@H]2C1 ZINC001137332549 812693032 /nfs/dbraw/zinc/69/30/32/812693032.db2.gz YOWSYGVYNBLKMA-GASCZTMLSA-N 2 1 261.413 2.405 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3[nH]c(C)cc3C)C[C@@H]2C1 ZINC001137332549 812693034 /nfs/dbraw/zinc/69/30/34/812693034.db2.gz YOWSYGVYNBLKMA-GASCZTMLSA-N 2 1 261.413 2.405 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3[nH]c(C)cc3C)C[C@@H]2C1 ZINC001137332549 812693038 /nfs/dbraw/zinc/69/30/38/812693038.db2.gz YOWSYGVYNBLKMA-GASCZTMLSA-N 2 1 261.413 2.405 20 0 CEADMP CCCCCC[C@H](CC)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001170586430 812740117 /nfs/dbraw/zinc/74/01/17/812740117.db2.gz JYZMGSFIZXIBAE-INIZCTEOSA-N 2 1 297.487 2.489 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CC(C)C)C1 ZINC001132153026 812792302 /nfs/dbraw/zinc/79/23/02/812792302.db2.gz MILYSUPESDTZNO-HUUCEWRRSA-N 2 1 297.487 2.342 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(C)C)C1 ZINC001132153026 812792305 /nfs/dbraw/zinc/79/23/05/812792305.db2.gz MILYSUPESDTZNO-HUUCEWRRSA-N 2 1 297.487 2.342 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(C)C)C1 ZINC001132153026 812792312 /nfs/dbraw/zinc/79/23/12/812792312.db2.gz MILYSUPESDTZNO-HUUCEWRRSA-N 2 1 297.487 2.342 20 0 CEADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132249141 812809597 /nfs/dbraw/zinc/80/95/97/812809597.db2.gz MDTPGJCNVGDXNU-HOTGVXAUSA-N 2 1 295.471 2.264 20 0 CEADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277386 812819182 /nfs/dbraw/zinc/81/91/82/812819182.db2.gz GLXUXEQPSWYHRH-HOCLYGCPSA-N 2 1 297.487 2.343 20 0 CEADMP CCCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132441125 812856277 /nfs/dbraw/zinc/85/62/77/812856277.db2.gz KVIURWOMAFLJFB-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132441125 812856284 /nfs/dbraw/zinc/85/62/84/812856284.db2.gz KVIURWOMAFLJFB-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132441125 812856292 /nfs/dbraw/zinc/85/62/92/812856292.db2.gz KVIURWOMAFLJFB-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132517351 812870825 /nfs/dbraw/zinc/87/08/25/812870825.db2.gz BFEZCGQNQIKBPL-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCC2)C1 ZINC001132517351 812870837 /nfs/dbraw/zinc/87/08/37/812870837.db2.gz BFEZCGQNQIKBPL-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3nccc(Cl)c23)CC[C@@H]1F ZINC001206184690 815563593 /nfs/dbraw/zinc/56/35/93/815563593.db2.gz JQDVISHONLFTDT-NWDGAFQWSA-N 2 1 296.777 2.478 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3nccc(Cl)c23)CC[C@@H]1F ZINC001206184690 815563597 /nfs/dbraw/zinc/56/35/97/815563597.db2.gz JQDVISHONLFTDT-NWDGAFQWSA-N 2 1 296.777 2.478 20 0 CEADMP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001052244061 812954998 /nfs/dbraw/zinc/95/49/98/812954998.db2.gz FQUDWHQCNALMJT-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052244061 812955002 /nfs/dbraw/zinc/95/50/02/812955002.db2.gz FQUDWHQCNALMJT-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052244061 812955005 /nfs/dbraw/zinc/95/50/05/812955005.db2.gz FQUDWHQCNALMJT-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CCCC(C)(C)C)CC[N@H+]1C ZINC001132886643 812956859 /nfs/dbraw/zinc/95/68/59/812956859.db2.gz PXZLHOFRZBBUKY-GJZGRUSLSA-N 2 1 297.487 2.249 20 0 CEADMP Cn1ccc2c1nc[nH+]c2NC(C)(C)CC[NH+](C)C ZINC001158756544 812967174 /nfs/dbraw/zinc/96/71/74/812967174.db2.gz AWCGBTAPKBZFGS-UHFFFAOYSA-N 2 1 261.373 2.111 20 0 CEADMP Cc1cccc(F)c1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206185356 815566955 /nfs/dbraw/zinc/56/69/55/815566955.db2.gz MXMZXOFXBUDWEV-KGLIPLIRSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1cccc(F)c1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206185356 815566956 /nfs/dbraw/zinc/56/69/56/815566956.db2.gz MXMZXOFXBUDWEV-KGLIPLIRSA-N 2 1 254.324 2.395 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052394234 812986228 /nfs/dbraw/zinc/98/62/28/812986228.db2.gz BXJIRJIOTFXVCR-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001052394234 812986230 /nfs/dbraw/zinc/98/62/30/812986230.db2.gz BXJIRJIOTFXVCR-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001052394234 812986235 /nfs/dbraw/zinc/98/62/35/812986235.db2.gz BXJIRJIOTFXVCR-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133345647 813034350 /nfs/dbraw/zinc/03/43/50/813034350.db2.gz FXKWDDVOWYMOAJ-HOTGVXAUSA-N 2 1 297.487 2.057 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173054355 815571414 /nfs/dbraw/zinc/57/14/14/815571414.db2.gz YDJOGEHHXBJXRV-MGPQQGTHSA-N 2 1 299.459 2.301 20 0 CEADMP Cc1ccc2c(C[N@@H+](C)C3CC([NH3+])C3)cc(=O)oc2c1 ZINC000384762053 813123424 /nfs/dbraw/zinc/12/34/24/813123424.db2.gz ARGJWTQCPZWZKU-UHFFFAOYSA-N 2 1 272.348 2.023 20 0 CEADMP Cc1ccc2c(C[N@H+](C)C3CC([NH3+])C3)cc(=O)oc2c1 ZINC000384762053 813123427 /nfs/dbraw/zinc/12/34/27/813123427.db2.gz ARGJWTQCPZWZKU-UHFFFAOYSA-N 2 1 272.348 2.023 20 0 CEADMP CC[NH+]1CCC([NH2+]C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000387330896 813206020 /nfs/dbraw/zinc/20/60/20/813206020.db2.gz FBJQOMMKUHTQAF-OAHLLOKOSA-N 2 1 284.350 2.072 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000387599096 813216706 /nfs/dbraw/zinc/21/67/06/813216706.db2.gz DOPYMGDSFSNEMC-ZDUSSCGKSA-N 2 1 255.365 2.406 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCOCC2)[C@H](C)C1 ZINC001170804497 813393042 /nfs/dbraw/zinc/39/30/42/813393042.db2.gz OULZMURZFUOEGE-RBSFLKMASA-N 2 1 254.418 2.264 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]C[C@H](C)CC ZINC001135436994 813435102 /nfs/dbraw/zinc/43/51/02/813435102.db2.gz JIHODHCFRQXXQW-OAHLLOKOSA-N 2 1 285.476 2.250 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CCC(C)C ZINC001135440775 813439030 /nfs/dbraw/zinc/43/90/30/813439030.db2.gz QOMQKONQYFMDEA-UHFFFAOYSA-N 2 1 285.476 2.250 20 0 CEADMP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135980937 813577249 /nfs/dbraw/zinc/57/72/49/813577249.db2.gz VBTZUWMZHKEZJQ-LSDHHAIUSA-N 2 1 285.476 2.391 20 0 CEADMP CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135996401 813582943 /nfs/dbraw/zinc/58/29/43/813582943.db2.gz SEGISXNITQTBHW-ZIAGYGMSSA-N 2 1 271.449 2.001 20 0 CEADMP CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135996398 813582958 /nfs/dbraw/zinc/58/29/58/813582958.db2.gz SEGISXNITQTBHW-KBPBESRZSA-N 2 1 271.449 2.001 20 0 CEADMP CC(C)(C)SCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000397378900 813615040 /nfs/dbraw/zinc/61/50/40/813615040.db2.gz JLDSUKXOOSBMQF-NWBUJAPZSA-N 2 1 254.443 2.104 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnn1C ZINC000398038046 813653304 /nfs/dbraw/zinc/65/33/04/813653304.db2.gz QQLAFYHHZRHGEW-CRAIPNDOSA-N 2 1 298.434 2.420 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnn1C ZINC000398038046 813653306 /nfs/dbraw/zinc/65/33/06/813653306.db2.gz QQLAFYHHZRHGEW-CRAIPNDOSA-N 2 1 298.434 2.420 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@]2(C)CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246111604 813704445 /nfs/dbraw/zinc/70/44/45/813704445.db2.gz JDSXXGXISFNXRY-JJXSEGSLSA-N 3 1 267.461 2.417 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001074056012 813800578 /nfs/dbraw/zinc/80/05/78/813800578.db2.gz VCPJTAMMRMDWSY-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001074056012 813800588 /nfs/dbraw/zinc/80/05/88/813800588.db2.gz VCPJTAMMRMDWSY-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001074056012 813800599 /nfs/dbraw/zinc/80/05/99/813800599.db2.gz VCPJTAMMRMDWSY-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[C@H](CC(C)C)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246415665 813816207 /nfs/dbraw/zinc/81/62/07/813816207.db2.gz JGTPPKYGJGFZRQ-KGLIPLIRSA-N 2 1 272.433 2.461 20 0 CEADMP CC[C@]1([NH2+][C@H](C)Cc2ccc(F)cc2)CC[NH2+]C1 ZINC001246462118 813843847 /nfs/dbraw/zinc/84/38/47/813843847.db2.gz QVPCIMTVRHQNNU-DOMZBBRYSA-N 2 1 250.361 2.488 20 0 CEADMP [NH3+]CC1([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171113986 813886045 /nfs/dbraw/zinc/88/60/45/813886045.db2.gz YDEGBJAYTWFSOJ-ZDUSSCGKSA-N 2 1 250.773 2.278 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001246530098 813906439 /nfs/dbraw/zinc/90/64/39/813906439.db2.gz MWBQAFBHZLFQQX-YMAMQOFZSA-N 3 1 253.434 2.063 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@](C)(N)C2)CC1 ZINC001246530098 813906443 /nfs/dbraw/zinc/90/64/43/813906443.db2.gz MWBQAFBHZLFQQX-YMAMQOFZSA-N 2 1 253.434 2.063 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@](C)(N)C2)CC1 ZINC001246530098 813906449 /nfs/dbraw/zinc/90/64/49/813906449.db2.gz MWBQAFBHZLFQQX-YMAMQOFZSA-N 2 1 253.434 2.063 20 0 CEADMP CC[NH+](CC)C1CCC(N2CC[C@@](C)([NH3+])C2)CC1 ZINC001246530098 813906454 /nfs/dbraw/zinc/90/64/54/813906454.db2.gz MWBQAFBHZLFQQX-YMAMQOFZSA-N 2 1 253.434 2.063 20 0 CEADMP CC(C)=CCC[C@@H](C)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246544600 813964964 /nfs/dbraw/zinc/96/49/64/813964964.db2.gz RJIYIPIBBZXXCH-HUUCEWRRSA-N 2 1 254.418 2.297 20 0 CEADMP C[C@]1([NH3+])CCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)CC1 ZINC001246547835 813979124 /nfs/dbraw/zinc/97/91/24/813979124.db2.gz CYTZHLQSXPMVGX-PCKAHOCUSA-N 3 1 265.445 2.112 20 0 CEADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126211 813989181 /nfs/dbraw/zinc/98/91/81/813989181.db2.gz PEVZFTOFKMUBQC-HUUCEWRRSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246550305 814001472 /nfs/dbraw/zinc/00/14/72/814001472.db2.gz OELATIJHORIGBK-DZKIICNBSA-N 3 1 285.451 2.306 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246559192 814040648 /nfs/dbraw/zinc/04/06/48/814040648.db2.gz ONYJAPHIQNBDFG-SOUVJXGZSA-N 2 1 284.444 2.415 20 0 CEADMP CCOC1CCC([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001246561864 814048915 /nfs/dbraw/zinc/04/89/15/814048915.db2.gz XDBMYEFOZKHMEK-PNESKVBLSA-N 2 1 276.371 2.250 20 0 CEADMP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCC[C@H]1C[NH3+] ZINC001246565783 814057696 /nfs/dbraw/zinc/05/76/96/814057696.db2.gz IKJGDCCHMQOAHG-FXQLRMTLSA-N 3 1 267.461 2.166 20 0 CEADMP COc1ncc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1F ZINC001144463132 814077542 /nfs/dbraw/zinc/07/75/42/814077542.db2.gz PYNUWUGJZQSYRL-UHFFFAOYSA-N 2 1 281.375 2.003 20 0 CEADMP CC[C@H](C)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100410982 814109086 /nfs/dbraw/zinc/10/90/86/814109086.db2.gz XWMQFUDDZHKCPC-NFOMZHRRSA-N 2 1 295.471 2.001 20 0 CEADMP COC1CCC([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC1 ZINC001246587988 814175660 /nfs/dbraw/zinc/17/56/60/814175660.db2.gz XJDMHIKPINFZEN-NRXISQOPSA-N 2 1 254.418 2.395 20 0 CEADMP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246592118 814185655 /nfs/dbraw/zinc/18/56/55/814185655.db2.gz OKRITNGNCIOSPT-KLHDSHLOSA-N 3 1 267.461 2.356 20 0 CEADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246592118 814185663 /nfs/dbraw/zinc/18/56/63/814185663.db2.gz OKRITNGNCIOSPT-KLHDSHLOSA-N 3 1 267.461 2.356 20 0 CEADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CCCC2CCC2)C1 ZINC001171226482 814192308 /nfs/dbraw/zinc/19/23/08/814192308.db2.gz HAVDZVVJHSXHQR-MRXNPFEDSA-N 2 1 295.471 2.004 20 0 CEADMP c1nc2c(s1)C[C@@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246607626 814207482 /nfs/dbraw/zinc/20/74/82/814207482.db2.gz GWDFCCDCKTYQEQ-SWLSCSKDSA-N 2 1 277.437 2.218 20 0 CEADMP c1nc2c(s1)C[C@@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246607626 814207489 /nfs/dbraw/zinc/20/74/89/814207489.db2.gz GWDFCCDCKTYQEQ-SWLSCSKDSA-N 2 1 277.437 2.218 20 0 CEADMP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146331880 814274388 /nfs/dbraw/zinc/27/43/88/814274388.db2.gz DRBMPKCUXRVYAU-KGLIPLIRSA-N 2 1 294.443 2.255 20 0 CEADMP CCCCC[C@H](CC)[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246872095 814322614 /nfs/dbraw/zinc/32/26/14/814322614.db2.gz PFJUPOAOTZBIND-JKSUJKDBSA-N 2 1 267.461 2.453 20 0 CEADMP CC(C)C[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520748 814394080 /nfs/dbraw/zinc/39/40/80/814394080.db2.gz YOFLQULBZBHPII-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP C[C@@H]1[C@H](N)CCC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246938517 814444739 /nfs/dbraw/zinc/44/47/39/814444739.db2.gz NBHBDRKJAYTSSA-YHNBSYBMSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@@H]1[C@H]([NH3+])CCCN1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246938517 814444744 /nfs/dbraw/zinc/44/47/44/814444744.db2.gz NBHBDRKJAYTSSA-YHNBSYBMSA-N 2 1 265.445 2.110 20 0 CEADMP CCC(CC)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161042371 814462957 /nfs/dbraw/zinc/46/29/57/814462957.db2.gz PIBLVKJFQJFOTM-HNNXBMFYSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@H]1C[C@H]([N@H+](CCN(C)C)C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC001246992091 814508172 /nfs/dbraw/zinc/50/81/72/814508172.db2.gz XRCKTIDCRSRUHV-QLPKVWCKSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](CCN(C)C)C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC001246992091 814508176 /nfs/dbraw/zinc/50/81/76/814508176.db2.gz XRCKTIDCRSRUHV-QLPKVWCKSA-N 2 1 281.488 2.427 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001148638053 814600014 /nfs/dbraw/zinc/60/00/14/814600014.db2.gz AAMAAOOXXFIKCU-UHFFFAOYSA-N 2 1 297.487 2.250 20 0 CEADMP CC[NH+](CC)C1CCC([NH2+]C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001173104709 815581136 /nfs/dbraw/zinc/58/11/36/815581136.db2.gz LJTFQDCKENBBEY-QQFBHYJXSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)C1CCC([NH2+]C[C@H]2CCN(C)C2)CC1 ZINC001173104709 815581142 /nfs/dbraw/zinc/58/11/42/815581142.db2.gz LJTFQDCKENBBEY-QQFBHYJXSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2C[C@@H](OC)[C@@H](F)C2)CC1 ZINC001173109296 815583018 /nfs/dbraw/zinc/58/30/18/815583018.db2.gz GJDIZDXDYYKXCP-PFSRBDOWSA-N 2 1 272.408 2.308 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC3(C2)OCCO3)CC1 ZINC001173112126 815583910 /nfs/dbraw/zinc/58/39/10/815583910.db2.gz QVYSLVACRQJGKQ-UHFFFAOYSA-N 2 1 282.428 2.088 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000712483784 814749954 /nfs/dbraw/zinc/74/99/54/814749954.db2.gz DAKFVXCPWGNLMR-ZDUSSCGKSA-N 2 1 252.402 2.162 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000712483784 814749956 /nfs/dbraw/zinc/74/99/56/814749956.db2.gz DAKFVXCPWGNLMR-ZDUSSCGKSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCC3(CCC3)O2)C[C@H]1C[NH3+] ZINC000712504951 814751995 /nfs/dbraw/zinc/75/19/95/814751995.db2.gz SZPCCBCOFBZQOT-LXTVHRRPSA-N 2 1 266.429 2.393 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000713590235 814865761 /nfs/dbraw/zinc/86/57/61/814865761.db2.gz CNITZAUQNPSDBP-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)c1noc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)n1 ZINC000714479291 814908491 /nfs/dbraw/zinc/90/84/91/814908491.db2.gz KPGGYEDYGLIQCF-UHFFFAOYSA-N 2 1 280.416 2.390 20 0 CEADMP c1nc2c(s1)C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC001173129742 815591720 /nfs/dbraw/zinc/59/17/20/815591720.db2.gz SFTIBPWOCCJKMY-LBPRGKRZSA-N 2 1 277.437 2.217 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC001173169711 815621203 /nfs/dbraw/zinc/62/12/03/815621203.db2.gz XMJCKXMHOLTSPI-OGCZYDBJSA-N 2 1 286.419 2.274 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC001173169711 815621208 /nfs/dbraw/zinc/62/12/08/815621208.db2.gz XMJCKXMHOLTSPI-OGCZYDBJSA-N 2 1 286.419 2.274 20 0 CEADMP CC[N@H+]1CC[C@H](N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001173368662 815705717 /nfs/dbraw/zinc/70/57/17/815705717.db2.gz QJPUATRXKPYJKL-HNNXBMFYSA-N 2 1 265.445 2.031 20 0 CEADMP CC[N@H+]1CC[C@H](n2cncc2C[NH2+]Cc2ccccc2)C1 ZINC001173369194 815706364 /nfs/dbraw/zinc/70/63/64/815706364.db2.gz UJXUYUBVAQBUOG-INIZCTEOSA-N 2 1 284.407 2.440 20 0 CEADMP CN1CCC[C@@H]2C[N@H+](C3Cc4cc(F)c(F)cc4C3)C[C@H]21 ZINC001173481941 815727345 /nfs/dbraw/zinc/72/73/45/815727345.db2.gz QOKDVZVKNXXKNA-PIGZYNQJSA-N 2 1 292.373 2.458 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc2nccnc12 ZINC001138307615 815762228 /nfs/dbraw/zinc/76/22/28/815762228.db2.gz DQVRBVBCFMMOMV-UHFFFAOYSA-N 2 1 272.396 2.403 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC001173622968 815767224 /nfs/dbraw/zinc/76/72/24/815767224.db2.gz PDXQVDJITHHGTH-ZFWWWQNUSA-N 2 1 282.428 2.182 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2cncc(C3CC3)c2)CC[C@H]1F ZINC001206210538 815779834 /nfs/dbraw/zinc/77/98/34/815779834.db2.gz KRBFBIZTFMLPCO-CABCVRRESA-N 2 1 263.360 2.220 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2cncc(C3CC3)c2)CC[C@H]1F ZINC001206210538 815779839 /nfs/dbraw/zinc/77/98/39/815779839.db2.gz KRBFBIZTFMLPCO-CABCVRRESA-N 2 1 263.360 2.220 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H](n2cc[nH+]c2CCC[NH3+])C1 ZINC001173651953 815792532 /nfs/dbraw/zinc/79/25/32/815792532.db2.gz PNQONSWYERQVPQ-CHWSQXEVSA-N 2 1 279.384 2.069 20 0 CEADMP Cc1nccn1-c1ccc(C[N@H+](C)[C@@H]2CCOC2)cc1 ZINC001138547305 815824394 /nfs/dbraw/zinc/82/43/94/815824394.db2.gz JQRSJLZWZNUVIQ-MRXNPFEDSA-N 2 1 271.364 2.401 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)[C@@H]2CCOC2)cc1 ZINC001138547305 815824401 /nfs/dbraw/zinc/82/44/01/815824401.db2.gz JQRSJLZWZNUVIQ-MRXNPFEDSA-N 2 1 271.364 2.401 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)[C@@H]2CCOC2)cc1 ZINC001138547305 815824410 /nfs/dbraw/zinc/82/44/10/815824410.db2.gz JQRSJLZWZNUVIQ-MRXNPFEDSA-N 2 1 271.364 2.401 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2nsnc2c1 ZINC001139215038 815989557 /nfs/dbraw/zinc/98/95/57/815989557.db2.gz LXPRXBNPGNRAJF-UHFFFAOYSA-N 2 1 278.425 2.465 20 0 CEADMP C[N@H+](CCC1CC1)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139325587 816004237 /nfs/dbraw/zinc/00/42/37/816004237.db2.gz SXQBYEISGVXUII-UHFFFAOYSA-N 2 1 294.468 2.127 20 0 CEADMP C[N@@H+](CCC1CC1)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139325587 816004246 /nfs/dbraw/zinc/00/42/46/816004246.db2.gz SXQBYEISGVXUII-UHFFFAOYSA-N 2 1 294.468 2.127 20 0 CEADMP Cc1c[nH+]ccc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001174538059 816025478 /nfs/dbraw/zinc/02/54/78/816025478.db2.gz ZYGPIHAXPWJXGS-UHFFFAOYSA-N 2 1 283.375 2.388 20 0 CEADMP Cc1ccccc1OC[C@@H](O)C[NH2+]CCC[N@H+](C)C(C)C ZINC000226390524 816059158 /nfs/dbraw/zinc/05/91/58/816059158.db2.gz OGIPSAHTSZAMIN-INIZCTEOSA-N 2 1 294.439 2.055 20 0 CEADMP CCC1(C[N@@H+](C(C)C)C2CCN(C)CC2)COC1 ZINC001202963826 816095816 /nfs/dbraw/zinc/09/58/16/816095816.db2.gz BJYZCIQFWWFJET-UHFFFAOYSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175255193 816163335 /nfs/dbraw/zinc/16/33/35/816163335.db2.gz DUESNVGMJQZYIZ-HUUCEWRRSA-N 2 1 283.460 2.144 20 0 CEADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175263012 816164428 /nfs/dbraw/zinc/16/44/28/816164428.db2.gz NCNLARWQUJELGF-GJZGRUSLSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1ccc2n[nH]c(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)c2c1 ZINC001140327108 816230162 /nfs/dbraw/zinc/23/01/62/816230162.db2.gz NGGIIOIAGYHSSN-KGLIPLIRSA-N 2 1 284.407 2.255 20 0 CEADMP Cc1ccc2n[nH]c(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)c2c1 ZINC001140327108 816230167 /nfs/dbraw/zinc/23/01/67/816230167.db2.gz NGGIIOIAGYHSSN-KGLIPLIRSA-N 2 1 284.407 2.255 20 0 CEADMP Cc1ccc2n[nH]c(C[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)c2c1 ZINC001140327108 816230172 /nfs/dbraw/zinc/23/01/72/816230172.db2.gz NGGIIOIAGYHSSN-KGLIPLIRSA-N 2 1 284.407 2.255 20 0 CEADMP Cc1ccc2[nH]nc(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)c2c1 ZINC001140327108 816230196 /nfs/dbraw/zinc/23/01/96/816230196.db2.gz NGGIIOIAGYHSSN-KGLIPLIRSA-N 2 1 284.407 2.255 20 0 CEADMP Cc1ccc2[nH]nc(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)c2c1 ZINC001140327108 816230202 /nfs/dbraw/zinc/23/02/02/816230202.db2.gz NGGIIOIAGYHSSN-KGLIPLIRSA-N 2 1 284.407 2.255 20 0 CEADMP Cc1ccc2[nH]nc(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)c2c1 ZINC001140327108 816230207 /nfs/dbraw/zinc/23/02/07/816230207.db2.gz NGGIIOIAGYHSSN-KGLIPLIRSA-N 2 1 284.407 2.255 20 0 CEADMP Cc1ccc2[nH]nc(C[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)c2c1 ZINC001140327108 816230212 /nfs/dbraw/zinc/23/02/12/816230212.db2.gz NGGIIOIAGYHSSN-KGLIPLIRSA-N 2 1 284.407 2.255 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2n[nH]cc2c1 ZINC001140388704 816248433 /nfs/dbraw/zinc/24/84/33/816248433.db2.gz CMXPFNDWNHURRV-UHFFFAOYSA-N 2 1 260.385 2.337 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2n[nH]cc2c1 ZINC001140388704 816248443 /nfs/dbraw/zinc/24/84/43/816248443.db2.gz CMXPFNDWNHURRV-UHFFFAOYSA-N 2 1 260.385 2.337 20 0 CEADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(O)c(C)c3)C[C@@H]2C1 ZINC001140579673 816289120 /nfs/dbraw/zinc/28/91/20/816289120.db2.gz CNGYQUZYHJVXJY-GASCZTMLSA-N 2 1 260.381 2.084 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(O)c(C)c3)C[C@@H]2C1 ZINC001140579673 816289122 /nfs/dbraw/zinc/28/91/22/816289122.db2.gz CNGYQUZYHJVXJY-GASCZTMLSA-N 2 1 260.381 2.084 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(O)c(C)c3)C[C@@H]2C1 ZINC001140579673 816289124 /nfs/dbraw/zinc/28/91/24/816289124.db2.gz CNGYQUZYHJVXJY-GASCZTMLSA-N 2 1 260.381 2.084 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(O)c(C)c3)C[C@@H]2C1 ZINC001140579673 816289125 /nfs/dbraw/zinc/28/91/25/816289125.db2.gz CNGYQUZYHJVXJY-GASCZTMLSA-N 2 1 260.381 2.084 20 0 CEADMP CCn1nc(C)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000120840529 816357118 /nfs/dbraw/zinc/35/71/18/816357118.db2.gz QWMSBGSXMRPGKQ-UHFFFAOYSA-N 2 1 299.422 2.237 20 0 CEADMP O=c1ccc2c([nH]1)CC[N@H+](Cc1c[nH]c3ccncc13)CC2 ZINC001140804800 816362561 /nfs/dbraw/zinc/36/25/61/816362561.db2.gz FRMONXVDHJYHGW-UHFFFAOYSA-N 2 1 294.358 2.264 20 0 CEADMP O=c1ccc2c([nH]1)CC[N@@H+](Cc1cnc3cc[nH]cc1-3)CC2 ZINC001140804800 816362567 /nfs/dbraw/zinc/36/25/67/816362567.db2.gz FRMONXVDHJYHGW-UHFFFAOYSA-N 2 1 294.358 2.264 20 0 CEADMP O=c1ccc2c([nH]1)CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140804800 816362579 /nfs/dbraw/zinc/36/25/79/816362579.db2.gz FRMONXVDHJYHGW-UHFFFAOYSA-N 2 1 294.358 2.264 20 0 CEADMP O=c1ccc2c([nH]1)CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140804800 816362581 /nfs/dbraw/zinc/36/25/81/816362581.db2.gz FRMONXVDHJYHGW-UHFFFAOYSA-N 2 1 294.358 2.264 20 0 CEADMP C[C@@H]1CO[C@@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]12 ZINC001140805211 816369580 /nfs/dbraw/zinc/36/95/80/816369580.db2.gz WQHMTWXGMPRGOX-WDBKCZKBSA-N 2 1 257.337 2.030 20 0 CEADMP C[C@@H]1CO[C@@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]12 ZINC001140805211 816369587 /nfs/dbraw/zinc/36/95/87/816369587.db2.gz WQHMTWXGMPRGOX-WDBKCZKBSA-N 2 1 257.337 2.030 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCC(C)C ZINC001176992206 816504670 /nfs/dbraw/zinc/50/46/70/816504670.db2.gz JNZKDQTTYGUODN-HNNXBMFYSA-N 2 1 283.460 2.003 20 0 CEADMP COCc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)no1 ZINC000839073977 816563118 /nfs/dbraw/zinc/56/31/18/816563118.db2.gz RGMZVXAYBXBSGI-UHFFFAOYSA-N 2 1 293.411 2.129 20 0 CEADMP COCc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)no1 ZINC000839073977 816563123 /nfs/dbraw/zinc/56/31/23/816563123.db2.gz RGMZVXAYBXBSGI-UHFFFAOYSA-N 2 1 293.411 2.129 20 0 CEADMP CNc1ncccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304349 816565671 /nfs/dbraw/zinc/56/56/71/816565671.db2.gz JBTNPDLXIGYBJE-HNNXBMFYSA-N 2 1 262.401 2.074 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC001177724623 816606119 /nfs/dbraw/zinc/60/61/19/816606119.db2.gz DZMLRHZZVAXLQL-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP COc1ncc(F)cc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206317770 816690536 /nfs/dbraw/zinc/69/05/36/816690536.db2.gz IITCMTTZQSVYCA-OAHLLOKOSA-N 2 1 281.375 2.180 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc4[nH]cnc43)C2)C1 ZINC001142692675 816712198 /nfs/dbraw/zinc/71/21/98/816712198.db2.gz JTYJHPLVKKNWTD-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP CC(C)CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178359349 816730842 /nfs/dbraw/zinc/73/08/42/816730842.db2.gz GPASFYFEBYUOHK-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc(OC)n1 ZINC001206327748 816742155 /nfs/dbraw/zinc/74/21/55/816742155.db2.gz XALWFOSHRNWICN-INIZCTEOSA-N 2 1 293.411 2.050 20 0 CEADMP c1cn2cccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c2n1 ZINC001142949788 816763314 /nfs/dbraw/zinc/76/33/14/816763314.db2.gz NTYGDFDHQGWAIK-UHFFFAOYSA-N 2 1 293.374 2.052 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001178811093 816797708 /nfs/dbraw/zinc/79/77/08/816797708.db2.gz QGZHSZYTGKAZIO-JKSUJKDBSA-N 2 1 295.471 2.289 20 0 CEADMP CCCC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179585078 816886152 /nfs/dbraw/zinc/88/61/52/816886152.db2.gz CBKIISVRYBZPFK-MRXNPFEDSA-N 2 1 297.487 2.395 20 0 CEADMP Cn1cc(C[NH2+]CCC[NH+](C)C)c(-c2ccc(F)cc2)n1 ZINC000449063570 282085522 /nfs/dbraw/zinc/08/55/22/282085522.db2.gz MYDCNMJJTCLMBH-UHFFFAOYSA-N 2 1 290.386 2.268 20 0 CEADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000336285370 365547063 /nfs/dbraw/zinc/54/70/63/365547063.db2.gz LHMDWAYOWWKFOI-CQSZACIVSA-N 2 1 262.401 2.163 20 0 CEADMP COCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000124653861 187147766 /nfs/dbraw/zinc/14/77/66/187147766.db2.gz OQNGCDUQCLWVEP-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP COCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000124653861 187147767 /nfs/dbraw/zinc/14/77/67/187147767.db2.gz OQNGCDUQCLWVEP-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000449134916 282113485 /nfs/dbraw/zinc/11/34/85/282113485.db2.gz MGPQSLLUGSSJLE-HOTGVXAUSA-N 2 1 295.471 2.132 20 0 CEADMP C[NH2+]CCC[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000124971620 187163698 /nfs/dbraw/zinc/16/36/98/187163698.db2.gz LJYBEDNVGHHVSZ-UHFFFAOYSA-N 2 1 256.777 2.260 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000124971620 187163699 /nfs/dbraw/zinc/16/36/99/187163699.db2.gz LJYBEDNVGHHVSZ-UHFFFAOYSA-N 2 1 256.777 2.260 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000336561937 365647613 /nfs/dbraw/zinc/64/76/13/365647613.db2.gz WLUMFYVPFKWOEE-HZPDHXFCSA-N 2 1 294.826 2.374 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC000336561937 365647619 /nfs/dbraw/zinc/64/76/19/365647619.db2.gz WLUMFYVPFKWOEE-HZPDHXFCSA-N 2 1 294.826 2.374 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)C[NH+]1CCCCC1 ZINC000125599935 365681152 /nfs/dbraw/zinc/68/11/52/365681152.db2.gz XMYVEBXUXXAHPP-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)C[NH+]1CCCCC1 ZINC000125599935 365681157 /nfs/dbraw/zinc/68/11/57/365681157.db2.gz XMYVEBXUXXAHPP-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C[NH+]1CCCCC1 ZINC000125599935 365681159 /nfs/dbraw/zinc/68/11/59/365681159.db2.gz XMYVEBXUXXAHPP-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)c1 ZINC000621331991 349564327 /nfs/dbraw/zinc/56/43/27/349564327.db2.gz XCQIXAOIWPAXBV-CQSZACIVSA-N 2 1 277.412 2.302 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)c1 ZINC000621331991 349564329 /nfs/dbraw/zinc/56/43/29/349564329.db2.gz XCQIXAOIWPAXBV-CQSZACIVSA-N 2 1 277.412 2.302 20 0 CEADMP COCCCOc1cccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000337746235 214243645 /nfs/dbraw/zinc/24/36/45/214243645.db2.gz GNKBRSJMIXSCPC-QGZVFWFLSA-N 2 1 292.423 2.273 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000125770986 365685865 /nfs/dbraw/zinc/68/58/65/365685865.db2.gz JEMWPXGKKZSOKN-KGLIPLIRSA-N 2 1 284.444 2.380 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000125770986 365685873 /nfs/dbraw/zinc/68/58/73/365685873.db2.gz JEMWPXGKKZSOKN-KGLIPLIRSA-N 2 1 284.444 2.380 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000036757096 361856009 /nfs/dbraw/zinc/85/60/09/361856009.db2.gz GVVYKNUMTBIBRF-HOTGVXAUSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000036864550 361864813 /nfs/dbraw/zinc/86/48/13/361864813.db2.gz DRLGJFIBLBFPCL-LBPRGKRZSA-N 2 1 264.417 2.381 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000036864550 361864818 /nfs/dbraw/zinc/86/48/18/361864818.db2.gz DRLGJFIBLBFPCL-LBPRGKRZSA-N 2 1 264.417 2.381 20 0 CEADMP CC[NH+](CC)CCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000036907861 361870079 /nfs/dbraw/zinc/87/00/79/361870079.db2.gz CGJOLLBNIKDTFN-SOUVJXGZSA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000036907861 361870080 /nfs/dbraw/zinc/87/00/80/361870080.db2.gz CGJOLLBNIKDTFN-SOUVJXGZSA-N 3 1 255.450 2.037 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000036907861 361870081 /nfs/dbraw/zinc/87/00/81/361870081.db2.gz CGJOLLBNIKDTFN-SOUVJXGZSA-N 3 1 255.450 2.037 20 0 CEADMP CCC(CC)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000357158576 282144285 /nfs/dbraw/zinc/14/42/85/282144285.db2.gz PSOVZMZRQWBDEZ-MRXNPFEDSA-N 2 1 297.487 2.297 20 0 CEADMP Cc1cc(C)cc(C[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000567691088 299076430 /nfs/dbraw/zinc/07/64/30/299076430.db2.gz OZBMKJNVRJRQNU-YJBOKZPZSA-N 2 1 290.451 2.279 20 0 CEADMP Cc1cc(C)cc(C[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000567691088 299076431 /nfs/dbraw/zinc/07/64/31/299076431.db2.gz OZBMKJNVRJRQNU-YJBOKZPZSA-N 2 1 290.451 2.279 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000037621232 361914135 /nfs/dbraw/zinc/91/41/35/361914135.db2.gz FEKLHBKNQTUIKR-KRWDZBQOSA-N 2 1 291.439 2.142 20 0 CEADMP CC(C)(C)n1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000037649458 361917287 /nfs/dbraw/zinc/91/72/87/361917287.db2.gz HOXGQYOPODIMTG-ZDUSSCGKSA-N 2 1 276.428 2.212 20 0 CEADMP CC(C)(C)n1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000037649458 361917295 /nfs/dbraw/zinc/91/72/95/361917295.db2.gz HOXGQYOPODIMTG-ZDUSSCGKSA-N 2 1 276.428 2.212 20 0 CEADMP Cc1n[nH]cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000037786504 361938669 /nfs/dbraw/zinc/93/86/69/361938669.db2.gz KOWXYEGAVNMOLY-UHFFFAOYSA-N 2 1 250.390 2.071 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000337949178 214327371 /nfs/dbraw/zinc/32/73/71/214327371.db2.gz FKZJEGMRGXPJGX-LSDHHAIUSA-N 2 1 265.401 2.375 20 0 CEADMP CCCC[C@H](COC)[NH2+]CCCn1cc[nH+]c1C ZINC000338012847 214361342 /nfs/dbraw/zinc/36/13/42/214361342.db2.gz AIZLSYFSEVBXLP-CQSZACIVSA-N 2 1 253.390 2.376 20 0 CEADMP OC[C@H](CC1CCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000338020744 214364230 /nfs/dbraw/zinc/36/42/30/214364230.db2.gz NTDIMFGAFLTCHD-PMPSAXMXSA-N 2 1 266.429 2.144 20 0 CEADMP CCC(CC)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414788540 282164045 /nfs/dbraw/zinc/16/40/45/282164045.db2.gz WXUYTRDJKHYBPW-AWEZNQCLSA-N 2 1 254.418 2.110 20 0 CEADMP CC(C)n1ccnc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000601761336 346893054 /nfs/dbraw/zinc/89/30/54/346893054.db2.gz BVPSERXTHKPUPP-UHFFFAOYSA-N 2 1 294.443 2.007 20 0 CEADMP COCC[N@H+](Cc1cccc2c1CC[NH2+]C2)CC(C)C ZINC000123936080 539179627 /nfs/dbraw/zinc/17/96/27/539179627.db2.gz SWDMOYXMDOKUST-UHFFFAOYSA-N 2 1 276.424 2.437 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCOC(C)(C)C ZINC000676716690 539167913 /nfs/dbraw/zinc/16/79/13/539167913.db2.gz ANHMPTFBTNNFLO-OWCLPIDISA-N 2 1 298.471 2.375 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+](C)CC1CN(C)C1 ZINC000668537249 539192381 /nfs/dbraw/zinc/19/23/81/539192381.db2.gz CQRPPWLBUZWQLT-UHFFFAOYSA-N 2 1 284.407 2.174 20 0 CEADMP C[C@H](c1ccncc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000071711660 539180793 /nfs/dbraw/zinc/18/07/93/539180793.db2.gz PYURRIDCCXUORX-CQSZACIVSA-N 2 1 268.364 2.360 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000261595807 539185529 /nfs/dbraw/zinc/18/55/29/539185529.db2.gz OJAHOOPITYZBKN-LSDHHAIUSA-N 2 1 260.381 2.045 20 0 CEADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C(C)C ZINC000125929388 187205174 /nfs/dbraw/zinc/20/51/74/187205174.db2.gz XGRYMRPDIXBWKN-HUUCEWRRSA-N 2 1 256.434 2.367 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCCOc1ccccc1)C2 ZINC000621779320 349700158 /nfs/dbraw/zinc/70/01/58/349700158.db2.gz CQOKVLJFJFPYER-ZBFHGGJFSA-N 2 1 260.381 2.269 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCCOc1ccccc1)C2 ZINC000621779320 349700163 /nfs/dbraw/zinc/70/01/63/349700163.db2.gz CQOKVLJFJFPYER-ZBFHGGJFSA-N 2 1 260.381 2.269 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCCCC1CCOCC1)C2 ZINC000621784538 349702982 /nfs/dbraw/zinc/70/29/82/349702982.db2.gz QFQQHIFHZLXGAU-JKSUJKDBSA-N 2 1 266.429 2.397 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCOCc1ccccc1)C2 ZINC000621784590 349703067 /nfs/dbraw/zinc/70/30/67/349703067.db2.gz RCRQVFZYWMPWMF-HZPDHXFCSA-N 2 1 260.381 2.016 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCOCc1ccccc1)C2 ZINC000621784590 349703070 /nfs/dbraw/zinc/70/30/70/349703070.db2.gz RCRQVFZYWMPWMF-HZPDHXFCSA-N 2 1 260.381 2.016 20 0 CEADMP CCn1cc(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000621774935 349697028 /nfs/dbraw/zinc/69/70/28/349697028.db2.gz AVCXLBISXISPCZ-IAGOWNOFSA-N 2 1 290.455 2.157 20 0 CEADMP Cc1cc(Cl)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000231855231 539232936 /nfs/dbraw/zinc/23/29/36/539232936.db2.gz CSMONFFDPVWOBG-STQMWFEESA-N 2 1 250.773 2.300 20 0 CEADMP Cc1ncccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335631349 282193869 /nfs/dbraw/zinc/19/38/69/282193869.db2.gz BBHOWYBGSONEKY-GOEBONIOSA-N 2 1 259.397 2.212 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000449367070 282202256 /nfs/dbraw/zinc/20/22/56/282202256.db2.gz YYGPGFILEYUNJF-LBPRGKRZSA-N 2 1 278.400 2.110 20 0 CEADMP COc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000622043613 349775005 /nfs/dbraw/zinc/77/50/05/349775005.db2.gz FRTMUEVJMMBSHM-IAQYHMDHSA-N 2 1 266.360 2.312 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@H]1CC1(F)F ZINC000622016949 349771280 /nfs/dbraw/zinc/77/12/80/349771280.db2.gz WBHYRIMGJZGUQC-LSDHHAIUSA-N 2 1 298.377 2.114 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@H]1CC1(F)F ZINC000622016949 349771285 /nfs/dbraw/zinc/77/12/85/349771285.db2.gz WBHYRIMGJZGUQC-LSDHHAIUSA-N 2 1 298.377 2.114 20 0 CEADMP Cc1nccn1CCC[N@H+]1CC(C)(C)OCC1(C)C ZINC000677817499 539269212 /nfs/dbraw/zinc/26/92/12/539269212.db2.gz MWPDXBKIRLJOFM-UHFFFAOYSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)OCC1(C)C ZINC000677817499 539269213 /nfs/dbraw/zinc/26/92/13/539269213.db2.gz MWPDXBKIRLJOFM-UHFFFAOYSA-N 2 1 265.401 2.471 20 0 CEADMP C[NH+](C)CCCC(C)(C)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000622091531 349786046 /nfs/dbraw/zinc/78/60/46/349786046.db2.gz SKDNKDNCPJUGGD-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2[C@@H]1C=CCCC1 ZINC000374431357 282216185 /nfs/dbraw/zinc/21/61/85/282216185.db2.gz XCOPYDZUOAMUQH-FPCVCCKLSA-N 2 1 264.413 2.279 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336611439 365716911 /nfs/dbraw/zinc/71/69/11/365716911.db2.gz LQFFXXYTRMLQEO-HNNXBMFYSA-N 2 1 274.412 2.014 20 0 CEADMP CN(CC[N@@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000126424322 187239473 /nfs/dbraw/zinc/23/94/73/187239473.db2.gz FWOHQBPPBLDJNQ-UHFFFAOYSA-N 2 1 275.440 2.144 20 0 CEADMP C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)CC1CCCCC1 ZINC000043402184 362144261 /nfs/dbraw/zinc/14/42/61/362144261.db2.gz ABNPSVLTMINQSC-UHFFFAOYSA-N 2 1 266.389 2.276 20 0 CEADMP C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)CC1CCCCC1 ZINC000043402184 362144262 /nfs/dbraw/zinc/14/42/62/362144262.db2.gz ABNPSVLTMINQSC-UHFFFAOYSA-N 2 1 266.389 2.276 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(CF)CCOCC1 ZINC000449489392 282256163 /nfs/dbraw/zinc/25/61/63/282256163.db2.gz RGGIHFMGGKYSRD-UHFFFAOYSA-N 2 1 281.375 2.004 20 0 CEADMP Cc1cc(N2CC[N@H+](C3CC3)C[C@H](C)C2)nc(C)n1 ZINC000295030113 539314236 /nfs/dbraw/zinc/31/42/36/539314236.db2.gz VVCYQPXKLXULHN-NSHDSACASA-N 2 1 260.385 2.014 20 0 CEADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440112650 539311075 /nfs/dbraw/zinc/31/10/75/539311075.db2.gz WWIKIRLPGKGPON-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP CCN(CC)c1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000044533143 343474239 /nfs/dbraw/zinc/47/42/39/343474239.db2.gz HXILBFZVQSEBRD-ZDUSSCGKSA-N 2 1 296.484 2.421 20 0 CEADMP CCN(CC)c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000044533143 343474241 /nfs/dbraw/zinc/47/42/41/343474241.db2.gz HXILBFZVQSEBRD-ZDUSSCGKSA-N 2 1 296.484 2.421 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000127594287 136386502 /nfs/dbraw/zinc/38/65/02/136386502.db2.gz QDWODHQGPRBSIV-OAHLLOKOSA-N 2 1 290.455 2.370 20 0 CEADMP CCSCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336692761 365762274 /nfs/dbraw/zinc/76/22/74/365762274.db2.gz ISBBUCDHBKAYOK-AWEZNQCLSA-N 2 1 256.459 2.403 20 0 CEADMP CCSCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336692761 365762277 /nfs/dbraw/zinc/76/22/77/365762277.db2.gz ISBBUCDHBKAYOK-AWEZNQCLSA-N 2 1 256.459 2.403 20 0 CEADMP CCSCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336692761 365762280 /nfs/dbraw/zinc/76/22/80/365762280.db2.gz ISBBUCDHBKAYOK-AWEZNQCLSA-N 2 1 256.459 2.403 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000052210038 343558962 /nfs/dbraw/zinc/55/89/62/343558962.db2.gz WIQCVERVYSOCMY-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H](C)[C@@H]3CCOC3)CC2)[nH+]1 ZINC000128101439 365776447 /nfs/dbraw/zinc/77/64/47/365776447.db2.gz QTYUHGWLJIXJBB-LSDHHAIUSA-N 2 1 289.423 2.373 20 0 CEADMP CCCN1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000351503374 219106979 /nfs/dbraw/zinc/10/69/79/219106979.db2.gz QNBRRBOSEZTJBE-UHFFFAOYSA-N 2 1 267.461 2.323 20 0 CEADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128081806 187350377 /nfs/dbraw/zinc/35/03/77/187350377.db2.gz SMQHLDPKQZRDAS-ZIAGYGMSSA-N 2 1 254.418 2.002 20 0 CEADMP CN(CC1CCCCC1)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057894 529864305 /nfs/dbraw/zinc/86/43/05/529864305.db2.gz LKMLHABDTZCKNI-MRXNPFEDSA-N 2 1 295.471 2.086 20 0 CEADMP COCCNc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000127005070 187275872 /nfs/dbraw/zinc/27/58/72/187275872.db2.gz NNCKFRLGYBXKLJ-YOEHRIQHSA-N 2 1 291.439 2.317 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000078539011 343956799 /nfs/dbraw/zinc/95/67/99/343956799.db2.gz AHHXMDIRUQPQGA-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCC2=CCCC2)CC1 ZINC000090798330 344143565 /nfs/dbraw/zinc/14/35/65/344143565.db2.gz YARZYZFQPTZFTL-UHFFFAOYSA-N 2 1 252.402 2.187 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c[nH]nc32)C1 ZINC000093770225 344229188 /nfs/dbraw/zinc/22/91/88/344229188.db2.gz REDKFCLSYGWOBQ-ZDUSSCGKSA-N 2 1 272.396 2.337 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000093770225 344229190 /nfs/dbraw/zinc/22/91/90/344229190.db2.gz REDKFCLSYGWOBQ-ZDUSSCGKSA-N 2 1 272.396 2.337 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000093770225 344229192 /nfs/dbraw/zinc/22/91/92/344229192.db2.gz REDKFCLSYGWOBQ-ZDUSSCGKSA-N 2 1 272.396 2.337 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000123311455 344309873 /nfs/dbraw/zinc/30/98/73/344309873.db2.gz OSKSWGQFNFTZNM-UHFFFAOYSA-N 2 1 284.787 2.282 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000123311455 344309875 /nfs/dbraw/zinc/30/98/75/344309875.db2.gz OSKSWGQFNFTZNM-UHFFFAOYSA-N 2 1 284.787 2.282 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C(C)C)C2CC2)CC1 ZINC000154538469 344434307 /nfs/dbraw/zinc/43/43/07/344434307.db2.gz HNOFSLBUBNHVPJ-KRWDZBQOSA-N 2 1 281.488 2.428 20 0 CEADMP CC(C)n1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000226243055 344548578 /nfs/dbraw/zinc/54/85/78/344548578.db2.gz DFTNNSJIDHUEAB-CQSZACIVSA-N 2 1 264.417 2.284 20 0 CEADMP CC(C)n1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000226243055 344548581 /nfs/dbraw/zinc/54/85/81/344548581.db2.gz DFTNNSJIDHUEAB-CQSZACIVSA-N 2 1 264.417 2.284 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000051627822 362432785 /nfs/dbraw/zinc/43/27/85/362432785.db2.gz FGMYATMKKUZRAK-CVEARBPZSA-N 2 1 262.397 2.184 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000262679446 344655629 /nfs/dbraw/zinc/65/56/29/344655629.db2.gz WAULSOZATDYDNE-JKSUJKDBSA-N 2 1 289.423 2.019 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OC ZINC000252682216 344641062 /nfs/dbraw/zinc/64/10/62/344641062.db2.gz BRRDIZGPWUANSE-OCCSQVGLSA-N 2 1 278.396 2.324 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OC ZINC000252682216 344641066 /nfs/dbraw/zinc/64/10/66/344641066.db2.gz BRRDIZGPWUANSE-OCCSQVGLSA-N 2 1 278.396 2.324 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)CCCO1 ZINC000313356640 344742226 /nfs/dbraw/zinc/74/22/26/344742226.db2.gz ORRDBCUCPPIFMH-HNNXBMFYSA-N 2 1 298.814 2.159 20 0 CEADMP Cc1[nH+]ccn1CCCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000580295366 344952756 /nfs/dbraw/zinc/95/27/56/344952756.db2.gz QTLMGXXNIDOKSI-JKSUJKDBSA-N 2 1 276.428 2.188 20 0 CEADMP CC(C)COc1ccccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000588671594 345050988 /nfs/dbraw/zinc/05/09/88/345050988.db2.gz QBWUGVLATZTWHI-HZPDHXFCSA-N 2 1 274.408 2.373 20 0 CEADMP COc1cc[nH+]c(NCc2ncc(C[NH+](C)C)s2)c1 ZINC000351624599 219152561 /nfs/dbraw/zinc/15/25/61/219152561.db2.gz OVESSMIWBACACI-UHFFFAOYSA-N 2 1 278.381 2.220 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nn(C)c2ccccc12 ZINC000589643431 345091667 /nfs/dbraw/zinc/09/16/67/345091667.db2.gz WYSQCBKQCIMHCZ-UHFFFAOYSA-N 2 1 283.379 2.258 20 0 CEADMP c1ccc2c(c1)n[nH]c2C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000589641672 345091898 /nfs/dbraw/zinc/09/18/98/345091898.db2.gz VKERFPJRCUSATR-GFCCVEGCSA-N 2 1 270.380 2.137 20 0 CEADMP c1ccc2c(c1)n[nH]c2C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000589641672 345091899 /nfs/dbraw/zinc/09/18/99/345091899.db2.gz VKERFPJRCUSATR-GFCCVEGCSA-N 2 1 270.380 2.137 20 0 CEADMP CCS[C@@H]1CCCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000590603066 345150998 /nfs/dbraw/zinc/15/09/98/345150998.db2.gz PYTYWQIUIXZFGF-HUUCEWRRSA-N 2 1 288.501 2.295 20 0 CEADMP CCS[C@@H]1CCCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000590603066 345150999 /nfs/dbraw/zinc/15/09/99/345150999.db2.gz PYTYWQIUIXZFGF-HUUCEWRRSA-N 2 1 288.501 2.295 20 0 CEADMP CCS[C@@H]1CCCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000590603066 345151001 /nfs/dbraw/zinc/15/10/01/345151001.db2.gz PYTYWQIUIXZFGF-HUUCEWRRSA-N 2 1 288.501 2.295 20 0 CEADMP CCOC(=O)CC[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000591272458 345236715 /nfs/dbraw/zinc/23/67/15/345236715.db2.gz ODEMGGVUIJPTDA-HUUCEWRRSA-N 2 1 284.444 2.415 20 0 CEADMP CCOC(=O)CC[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000591272458 345236717 /nfs/dbraw/zinc/23/67/17/345236717.db2.gz ODEMGGVUIJPTDA-HUUCEWRRSA-N 2 1 284.444 2.415 20 0 CEADMP CC[C@@H](CSC)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000591758237 345277953 /nfs/dbraw/zinc/27/79/53/345277953.db2.gz JDYHBDUHSYXBBR-HOTGVXAUSA-N 2 1 296.480 2.211 20 0 CEADMP CC[C@@H](CSC)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000591758237 345277957 /nfs/dbraw/zinc/27/79/57/345277957.db2.gz JDYHBDUHSYXBBR-HOTGVXAUSA-N 2 1 296.480 2.211 20 0 CEADMP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591866714 345290020 /nfs/dbraw/zinc/29/00/20/345290020.db2.gz DKXYCIUSTDGCDN-GJZGRUSLSA-N 2 1 292.427 2.071 20 0 CEADMP CC(C)CCNC(=O)[C@H](C)N1CCC[C@H](n2ccnc2)C1 ZINC000591866714 345290021 /nfs/dbraw/zinc/29/00/21/345290021.db2.gz DKXYCIUSTDGCDN-GJZGRUSLSA-N 2 1 292.427 2.071 20 0 CEADMP COC(=O)CC[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000592431262 345353055 /nfs/dbraw/zinc/35/30/55/345353055.db2.gz MKYKPEJODQACFN-UHFFFAOYSA-N 2 1 290.407 2.051 20 0 CEADMP CCSCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592494018 345360118 /nfs/dbraw/zinc/36/01/18/345360118.db2.gz ZKDZVIIRKYNHCN-KGLIPLIRSA-N 2 1 256.459 2.451 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000593408952 345478640 /nfs/dbraw/zinc/47/86/40/345478640.db2.gz SSDWKQBAABHGID-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CC(C)(C)[C@@H](CCO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594499605 345639234 /nfs/dbraw/zinc/63/92/34/345639234.db2.gz HLYWFHNENWIDKZ-HZPDHXFCSA-N 2 1 298.471 2.017 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](CCOc2ccc(OC)cc2)C1 ZINC000058359753 362625309 /nfs/dbraw/zinc/62/53/09/362625309.db2.gz MZHITRKVROFLSW-CQSZACIVSA-N 2 1 278.396 2.005 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2ccc(OC)cc2)C1 ZINC000058359753 362625312 /nfs/dbraw/zinc/62/53/12/362625312.db2.gz MZHITRKVROFLSW-CQSZACIVSA-N 2 1 278.396 2.005 20 0 CEADMP COC(=O)c1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(C)o1 ZINC000594600961 345656874 /nfs/dbraw/zinc/65/68/74/345656874.db2.gz PQQAETCTTHZBGR-GFCCVEGCSA-N 2 1 294.395 2.196 20 0 CEADMP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000594915012 345700296 /nfs/dbraw/zinc/70/02/96/345700296.db2.gz OLBOPPZXBPPUKY-VNQPRFMTSA-N 2 1 296.455 2.428 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000594925135 345704224 /nfs/dbraw/zinc/70/42/24/345704224.db2.gz LCSOFYGTXJTORO-XZDPQHSOSA-N 2 1 296.455 2.284 20 0 CEADMP COC(=O)C[N@H+](CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000595659309 345840147 /nfs/dbraw/zinc/84/01/47/345840147.db2.gz LXKMXPZFZTYQRL-UHFFFAOYSA-N 2 1 293.411 2.160 20 0 CEADMP COC(=O)C[N@@H+](CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000595659309 345840148 /nfs/dbraw/zinc/84/01/48/345840148.db2.gz LXKMXPZFZTYQRL-UHFFFAOYSA-N 2 1 293.411 2.160 20 0 CEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCC(C)(C)C(=O)OC ZINC000595871897 345903059 /nfs/dbraw/zinc/90/30/59/345903059.db2.gz SZYURLVTVXOIMG-UHFFFAOYSA-N 2 1 272.433 2.286 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCC(C)(C)C(=O)OC ZINC000595871897 345903061 /nfs/dbraw/zinc/90/30/61/345903061.db2.gz SZYURLVTVXOIMG-UHFFFAOYSA-N 2 1 272.433 2.286 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cs1 ZINC000595891362 345907740 /nfs/dbraw/zinc/90/77/40/345907740.db2.gz CTFNEAFQRISKIJ-LOWVWBTDSA-N 2 1 296.436 2.340 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cs1 ZINC000595891362 345907743 /nfs/dbraw/zinc/90/77/43/345907743.db2.gz CTFNEAFQRISKIJ-LOWVWBTDSA-N 2 1 296.436 2.340 20 0 CEADMP C[C@H]1CC[C@@H](C[N@@H+](CCC[NH3+])Cc2ccccc2)O1 ZINC000230004114 539502017 /nfs/dbraw/zinc/50/20/17/539502017.db2.gz YLCGXDKTKUTKME-HOCLYGCPSA-N 2 1 262.397 2.405 20 0 CEADMP CC(C)[NH+](CCNc1cc[nH+]c(N(C)C)n1)C(C)C ZINC000085435758 179062329 /nfs/dbraw/zinc/06/23/29/179062329.db2.gz NWGHECQUZMRFOG-UHFFFAOYSA-N 2 1 265.405 2.073 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(CC(=O)OC)CC1 ZINC000599018977 346446685 /nfs/dbraw/zinc/44/66/85/346446685.db2.gz IDYDDJFYYGJGJT-WLYUNCDWSA-N 2 1 284.444 2.428 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000062999026 362739506 /nfs/dbraw/zinc/73/95/06/362739506.db2.gz CTMCNNXCVTZWQB-INIZCTEOSA-N 2 1 262.397 2.182 20 0 CEADMP CCCCc1noc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000063200919 362761781 /nfs/dbraw/zinc/76/17/81/362761781.db2.gz YAJBIQMQRPMAKT-AWEZNQCLSA-N 2 1 292.427 2.376 20 0 CEADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000599314789 346497739 /nfs/dbraw/zinc/49/77/39/346497739.db2.gz WJWFZUCXTTWRQK-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCCN2C)C1 ZINC000599318729 346498391 /nfs/dbraw/zinc/49/83/91/346498391.db2.gz LVZVBCKJWDOYCV-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000599318729 346498392 /nfs/dbraw/zinc/49/83/92/346498392.db2.gz LVZVBCKJWDOYCV-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000599318729 346498393 /nfs/dbraw/zinc/49/83/93/346498393.db2.gz LVZVBCKJWDOYCV-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000599318729 346498394 /nfs/dbraw/zinc/49/83/94/346498394.db2.gz LVZVBCKJWDOYCV-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000599318729 346498395 /nfs/dbraw/zinc/49/83/95/346498395.db2.gz LVZVBCKJWDOYCV-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000336798377 365822535 /nfs/dbraw/zinc/82/25/35/365822535.db2.gz DTUGXUAYGNVROX-HOTGVXAUSA-N 2 1 265.445 2.031 20 0 CEADMP C[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC[C@@H]1O ZINC000459432609 290147535 /nfs/dbraw/zinc/14/75/35/290147535.db2.gz SIGMFUCDMHXDRR-HOTGVXAUSA-N 2 1 266.429 2.144 20 0 CEADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC[C@H]1CCC[NH+]1C ZINC000336799914 365829496 /nfs/dbraw/zinc/82/94/96/365829496.db2.gz KKLBUANYFGCZAM-OAGGEKHMSA-N 2 1 265.445 2.029 20 0 CEADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1CC[C@H]1CCC[N@@H+]1C ZINC000336799914 365829500 /nfs/dbraw/zinc/82/95/00/365829500.db2.gz KKLBUANYFGCZAM-OAGGEKHMSA-N 2 1 265.445 2.029 20 0 CEADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1CC[C@H]1CCC[N@H+]1C ZINC000336799914 365829502 /nfs/dbraw/zinc/82/95/02/365829502.db2.gz KKLBUANYFGCZAM-OAGGEKHMSA-N 2 1 265.445 2.029 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000600162134 346610344 /nfs/dbraw/zinc/61/03/44/346610344.db2.gz TVQYVSGRSQRZRL-HNNXBMFYSA-N 2 1 290.407 2.436 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000600162134 346610350 /nfs/dbraw/zinc/61/03/50/346610350.db2.gz TVQYVSGRSQRZRL-HNNXBMFYSA-N 2 1 290.407 2.436 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC000600980963 346725513 /nfs/dbraw/zinc/72/55/13/346725513.db2.gz QRDAXRHSUOLCCL-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000600980963 346725515 /nfs/dbraw/zinc/72/55/15/346725515.db2.gz QRDAXRHSUOLCCL-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000600980963 346725518 /nfs/dbraw/zinc/72/55/18/346725518.db2.gz QRDAXRHSUOLCCL-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000600980963 346725520 /nfs/dbraw/zinc/72/55/20/346725520.db2.gz QRDAXRHSUOLCCL-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000600980963 346725523 /nfs/dbraw/zinc/72/55/23/346725523.db2.gz QRDAXRHSUOLCCL-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CSCc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000600734928 346680971 /nfs/dbraw/zinc/68/09/71/346680971.db2.gz RINNTRIYMSVVKQ-INIZCTEOSA-N 2 1 294.464 2.096 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+]CCC[N@@H+](C)C(C)C ZINC000336810197 365848337 /nfs/dbraw/zinc/84/83/37/365848337.db2.gz YWDMCYZYBRRYHY-HNNXBMFYSA-N 2 1 266.433 2.228 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000602721740 347170769 /nfs/dbraw/zinc/17/07/69/347170769.db2.gz KHHIYHGJUVTSFV-RZLSGREXSA-N 2 1 282.428 2.181 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602721740 347170774 /nfs/dbraw/zinc/17/07/74/347170774.db2.gz KHHIYHGJUVTSFV-RZLSGREXSA-N 2 1 282.428 2.181 20 0 CEADMP CC(C)[NH+]1CCC(Nc2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000603372935 347352115 /nfs/dbraw/zinc/35/21/15/347352115.db2.gz VFVFJJOYEUJUOY-UHFFFAOYSA-N 2 1 289.427 2.362 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2nc(C)cc2C)C[C@@H]1C ZINC000336823859 365878460 /nfs/dbraw/zinc/87/84/60/365878460.db2.gz RPNMYMCMHLAYLZ-GOEBONIOSA-N 2 1 278.444 2.305 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2nc(C)cc2C)C[C@@H]1C ZINC000336823859 365878464 /nfs/dbraw/zinc/87/84/64/365878464.db2.gz RPNMYMCMHLAYLZ-GOEBONIOSA-N 2 1 278.444 2.305 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2nc(C)cc2C)C[C@@H]1C ZINC000336823859 365878466 /nfs/dbraw/zinc/87/84/66/365878466.db2.gz RPNMYMCMHLAYLZ-GOEBONIOSA-N 2 1 278.444 2.305 20 0 CEADMP C[C@@H](Nc1[nH+]cnc2[nH]ccc21)C1CC[NH+](C)CC1 ZINC000603928189 347399363 /nfs/dbraw/zinc/39/93/63/347399363.db2.gz DPBKBDLLTPVTMJ-SNVBAGLBSA-N 2 1 259.357 2.100 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2c(C)noc2C)[C@@H](C)C1 ZINC000336823592 365878539 /nfs/dbraw/zinc/87/85/39/365878539.db2.gz QHMYMRWCSBFKFZ-LRDDRELGSA-N 2 1 279.428 2.496 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2c(C)noc2C)[C@@H](C)C1 ZINC000336823592 365878542 /nfs/dbraw/zinc/87/85/42/365878542.db2.gz QHMYMRWCSBFKFZ-LRDDRELGSA-N 2 1 279.428 2.496 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2c(C)noc2C)[C@@H](C)C1 ZINC000336823592 365878545 /nfs/dbraw/zinc/87/85/45/365878545.db2.gz QHMYMRWCSBFKFZ-LRDDRELGSA-N 2 1 279.428 2.496 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2c(C)noc2C)[C@@H](C)C1 ZINC000336823592 365878548 /nfs/dbraw/zinc/87/85/48/365878548.db2.gz QHMYMRWCSBFKFZ-LRDDRELGSA-N 2 1 279.428 2.496 20 0 CEADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000606351986 347466368 /nfs/dbraw/zinc/46/63/68/347466368.db2.gz FVNXIWKNQWJABW-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP O[C@]12CCCC[C@H]1C[N@@H+](CCC[NH+]1CCCC1)CC2 ZINC000128556342 187377013 /nfs/dbraw/zinc/37/70/13/187377013.db2.gz BCHKZDXJMJBMQX-HOTGVXAUSA-N 2 1 266.429 2.099 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@H]1SC ZINC000459587082 290187584 /nfs/dbraw/zinc/18/75/84/290187584.db2.gz LCXGHIYHVDVEDJ-RRFJBIMHSA-N 2 1 286.485 2.359 20 0 CEADMP c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CO2 ZINC000336895758 365938552 /nfs/dbraw/zinc/93/85/52/365938552.db2.gz ZFBQKNJTCMNHQL-HRCADAONSA-N 2 1 272.392 2.207 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NCCC(C)(C)C ZINC000130442916 365956797 /nfs/dbraw/zinc/95/67/97/365956797.db2.gz DVVPJLBPQCNGCH-UHFFFAOYSA-N 2 1 294.443 2.066 20 0 CEADMP c1ccc(OCCCCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000339408534 215152682 /nfs/dbraw/zinc/15/26/82/215152682.db2.gz BZADWAIGUCZBIQ-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NCCC(C)(C)C ZINC000130442916 365956806 /nfs/dbraw/zinc/95/68/06/365956806.db2.gz DVVPJLBPQCNGCH-UHFFFAOYSA-N 2 1 294.443 2.066 20 0 CEADMP COC1(CC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CCC1 ZINC000339425610 215162147 /nfs/dbraw/zinc/16/21/47/215162147.db2.gz FNXRGOZNUGQGDI-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP COC1(CC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)CCC1 ZINC000339425610 215162150 /nfs/dbraw/zinc/16/21/50/215162150.db2.gz FNXRGOZNUGQGDI-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP COC1(CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCC1 ZINC000339425610 215162153 /nfs/dbraw/zinc/16/21/53/215162153.db2.gz FNXRGOZNUGQGDI-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP COC1(CC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CCC1 ZINC000339425613 215162308 /nfs/dbraw/zinc/16/23/08/215162308.db2.gz FNXRGOZNUGQGDI-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP COC1(CC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)CCC1 ZINC000339425613 215162312 /nfs/dbraw/zinc/16/23/12/215162312.db2.gz FNXRGOZNUGQGDI-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP COC1(CC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)CCC1 ZINC000339425613 215162314 /nfs/dbraw/zinc/16/23/14/215162314.db2.gz FNXRGOZNUGQGDI-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP CC1CCC(O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000087044866 179388171 /nfs/dbraw/zinc/38/81/71/179388171.db2.gz FWJIIHNJBUOBJX-OZEOOWDWSA-N 2 1 266.429 2.142 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cn(C)nc2C)CC1 ZINC000087407144 179420877 /nfs/dbraw/zinc/42/08/77/179420877.db2.gz YOPVIBVOROLQLS-GFCCVEGCSA-N 2 1 264.417 2.254 20 0 CEADMP C[C@@H]1C[C@@H](C(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000357094822 233006013 /nfs/dbraw/zinc/00/60/13/233006013.db2.gz NKDLJUCXLLSOSK-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@H](C)[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000456513635 539636532 /nfs/dbraw/zinc/63/65/32/539636532.db2.gz BFJRSJWOWBWZMK-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCCC1 ZINC000623354746 349996761 /nfs/dbraw/zinc/99/67/61/349996761.db2.gz FBEBWWKHJLIMST-CABCVRRESA-N 2 1 267.461 2.323 20 0 CEADMP O=C(CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)NC1CCCCC1 ZINC000339066515 539658811 /nfs/dbraw/zinc/65/88/11/539658811.db2.gz FLOUTIZREDJPAQ-HOTGVXAUSA-N 2 1 293.455 2.042 20 0 CEADMP C[N@@H+](CCN[C@@H]1CC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339068743 539658833 /nfs/dbraw/zinc/65/88/33/539658833.db2.gz MSWBIPDMOISFNN-MSOLQXFVSA-N 2 1 287.451 2.335 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339068743 539658838 /nfs/dbraw/zinc/65/88/38/539658838.db2.gz MSWBIPDMOISFNN-MSOLQXFVSA-N 2 1 287.451 2.335 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339068743 539658843 /nfs/dbraw/zinc/65/88/43/539658843.db2.gz MSWBIPDMOISFNN-MSOLQXFVSA-N 2 1 287.451 2.335 20 0 CEADMP CN(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339068743 539658848 /nfs/dbraw/zinc/65/88/48/539658848.db2.gz MSWBIPDMOISFNN-MSOLQXFVSA-N 2 1 287.451 2.335 20 0 CEADMP CN(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339068743 539658854 /nfs/dbraw/zinc/65/88/54/539658854.db2.gz MSWBIPDMOISFNN-MSOLQXFVSA-N 2 1 287.451 2.335 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339064974 539659331 /nfs/dbraw/zinc/65/93/31/539659331.db2.gz AWMRAPFTNOVTIA-RDJZCZTQSA-N 2 1 287.407 2.361 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339064974 539659333 /nfs/dbraw/zinc/65/93/33/539659333.db2.gz AWMRAPFTNOVTIA-RDJZCZTQSA-N 2 1 287.407 2.361 20 0 CEADMP CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@H]1CC[N@@H+](CC)C1 ZINC000617925069 348825222 /nfs/dbraw/zinc/82/52/22/348825222.db2.gz DVUAAPDZOFQBCZ-KBPBESRZSA-N 2 1 283.460 2.096 20 0 CEADMP c1[nH]nc2c1cccc2C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000336625694 539669603 /nfs/dbraw/zinc/66/96/03/539669603.db2.gz YMJHDUGLZMSUHE-INIZCTEOSA-N 2 1 270.380 2.138 20 0 CEADMP Cc1cccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000459523029 539693404 /nfs/dbraw/zinc/69/34/04/539693404.db2.gz IRSHMSLVJVQQCE-UHFFFAOYSA-N 2 1 259.397 2.149 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400471816 233179111 /nfs/dbraw/zinc/17/91/11/233179111.db2.gz YFHUSAJFJOSVCU-INMHGKMJSA-N 2 1 275.440 2.237 20 0 CEADMP C[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000400491299 233179468 /nfs/dbraw/zinc/17/94/68/233179468.db2.gz ZIZXWVWTAALEEJ-ATLSCFEFSA-N 2 1 287.451 2.237 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352044066 219299558 /nfs/dbraw/zinc/29/95/58/219299558.db2.gz DRFWLKVIIYDCFO-QXSJWSMHSA-N 2 1 295.471 2.237 20 0 CEADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352044066 219299561 /nfs/dbraw/zinc/29/95/61/219299561.db2.gz DRFWLKVIIYDCFO-QXSJWSMHSA-N 2 1 295.471 2.237 20 0 CEADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352044066 219299563 /nfs/dbraw/zinc/29/95/63/219299563.db2.gz DRFWLKVIIYDCFO-QXSJWSMHSA-N 2 1 295.471 2.237 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](CO)Cc2ccccc2)CC1(C)C ZINC000623373979 350003687 /nfs/dbraw/zinc/00/36/87/350003687.db2.gz SHPRXSPLWJMNDZ-DLBZAZTESA-N 2 1 290.451 2.300 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2COc3ccccc3C2)CC1(C)C ZINC000623382367 350005625 /nfs/dbraw/zinc/00/56/25/350005625.db2.gz DEMNXZBSTHIQJD-LSDHHAIUSA-N 2 1 274.408 2.453 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623412892 350013064 /nfs/dbraw/zinc/01/30/64/350013064.db2.gz BKAZGSBBHLDUMW-LSDHHAIUSA-N 2 1 267.461 2.323 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623412892 350013068 /nfs/dbraw/zinc/01/30/68/350013068.db2.gz BKAZGSBBHLDUMW-LSDHHAIUSA-N 2 1 267.461 2.323 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623412892 350013071 /nfs/dbraw/zinc/01/30/71/350013071.db2.gz BKAZGSBBHLDUMW-LSDHHAIUSA-N 2 1 267.461 2.323 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3cncn3)c2)CC1(C)C ZINC000623424326 350016536 /nfs/dbraw/zinc/01/65/36/350016536.db2.gz NELQQSRYVBPVBF-OAHLLOKOSA-N 2 1 299.422 2.230 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000623449743 350024207 /nfs/dbraw/zinc/02/42/07/350024207.db2.gz JPUYMXMLWUPQIT-TZMCWYRMSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@@H](O)C(F)(F)F ZINC000623478479 350029578 /nfs/dbraw/zinc/02/95/78/350029578.db2.gz MPLUREJZIJFACL-OUAUKWLOSA-N 2 1 282.350 2.151 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H](O)C(F)(F)F ZINC000623478479 350029580 /nfs/dbraw/zinc/02/95/80/350029580.db2.gz MPLUREJZIJFACL-OUAUKWLOSA-N 2 1 282.350 2.151 20 0 CEADMP C[C@@H]1CC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000623479189 350030815 /nfs/dbraw/zinc/03/08/15/350030815.db2.gz KBVXSQMYSYVVOA-UPJWGTAASA-N 2 1 254.418 2.405 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CCO1 ZINC000623657632 350077373 /nfs/dbraw/zinc/07/73/73/350077373.db2.gz VRXIVHLSXOMMGE-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH+]1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1(C)C ZINC000623547237 350047771 /nfs/dbraw/zinc/04/77/71/350047771.db2.gz JKLBSKMCIBJTBU-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+]1CCC[C@@H](CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623547237 350047773 /nfs/dbraw/zinc/04/77/73/350047773.db2.gz JKLBSKMCIBJTBU-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+]1CCC[C@@H](CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623547237 350047777 /nfs/dbraw/zinc/04/77/77/350047777.db2.gz JKLBSKMCIBJTBU-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1(C)C ZINC000623547237 350047782 /nfs/dbraw/zinc/04/77/82/350047782.db2.gz JKLBSKMCIBJTBU-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC000623547237 350047784 /nfs/dbraw/zinc/04/77/84/350047784.db2.gz JKLBSKMCIBJTBU-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1(C)C ZINC000623547234 350047816 /nfs/dbraw/zinc/04/78/16/350047816.db2.gz JKLBSKMCIBJTBU-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+]1CCC[C@H](CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623547234 350047818 /nfs/dbraw/zinc/04/78/18/350047818.db2.gz JKLBSKMCIBJTBU-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+]1CCC[C@H](CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623547234 350047820 /nfs/dbraw/zinc/04/78/20/350047820.db2.gz JKLBSKMCIBJTBU-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP CN1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1(C)C ZINC000623547234 350047823 /nfs/dbraw/zinc/04/78/23/350047823.db2.gz JKLBSKMCIBJTBU-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP CN1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC000623547234 350047827 /nfs/dbraw/zinc/04/78/27/350047827.db2.gz JKLBSKMCIBJTBU-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1 ZINC000090720857 180031663 /nfs/dbraw/zinc/03/16/63/180031663.db2.gz CQLWSVPPHMESMC-GXTWGEPZSA-N 2 1 278.396 2.276 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1 ZINC000090720857 180031665 /nfs/dbraw/zinc/03/16/65/180031665.db2.gz CQLWSVPPHMESMC-GXTWGEPZSA-N 2 1 278.396 2.276 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)CC[N@H+]1C ZINC000090721829 180031816 /nfs/dbraw/zinc/03/18/16/180031816.db2.gz LILCMNVDZVHDKZ-WFASDCNBSA-N 2 1 285.395 2.044 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCCO1 ZINC000623860715 350128497 /nfs/dbraw/zinc/12/84/97/350128497.db2.gz CJYSZXJCEDVYJO-GUTXKFCHSA-N 2 1 252.402 2.018 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090720162 180030604 /nfs/dbraw/zinc/03/06/04/180030604.db2.gz PQMQHWMCOJDVED-WBMJQRKESA-N 2 1 275.396 2.217 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623868398 350130096 /nfs/dbraw/zinc/13/00/96/350130096.db2.gz ZFNYWFOBGRUGRW-TZMCWYRMSA-N 2 1 251.374 2.129 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCCO1 ZINC000623999209 350166083 /nfs/dbraw/zinc/16/60/83/350166083.db2.gz NPMZZFKYVOSPMY-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](C(=O)NCC[NH+](C)C1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000104928119 186032256 /nfs/dbraw/zinc/03/22/56/186032256.db2.gz MIFMZHWMABAOTL-ZNMIVQPWSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@@H](C(=O)NCC[N@H+](C)C1CCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000104928119 186032258 /nfs/dbraw/zinc/03/22/58/186032258.db2.gz MIFMZHWMABAOTL-ZNMIVQPWSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@@H](C(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000104928119 186032260 /nfs/dbraw/zinc/03/22/60/186032260.db2.gz MIFMZHWMABAOTL-ZNMIVQPWSA-N 2 1 295.471 2.238 20 0 CEADMP C[N@H+]1CCCC[C@@H](CNC2CC[NH+](CC3CC3)CC2)C1 ZINC000624121308 350199117 /nfs/dbraw/zinc/19/91/17/350199117.db2.gz SXVKBMMMROMETN-INIZCTEOSA-N 2 1 279.472 2.182 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000624121308 350199119 /nfs/dbraw/zinc/19/91/19/350199119.db2.gz SXVKBMMMROMETN-INIZCTEOSA-N 3 1 279.472 2.182 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000624121308 350199121 /nfs/dbraw/zinc/19/91/21/350199121.db2.gz SXVKBMMMROMETN-INIZCTEOSA-N 3 1 279.472 2.182 20 0 CEADMP COCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000271329240 191076786 /nfs/dbraw/zinc/07/67/86/191076786.db2.gz MWFDJDYEVWSPSA-XJKSGUPXSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000271329240 191076789 /nfs/dbraw/zinc/07/67/89/191076789.db2.gz MWFDJDYEVWSPSA-XJKSGUPXSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)o1 ZINC000271329240 191076792 /nfs/dbraw/zinc/07/67/92/191076792.db2.gz MWFDJDYEVWSPSA-XJKSGUPXSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)o1 ZINC000271329240 191076794 /nfs/dbraw/zinc/07/67/94/191076794.db2.gz MWFDJDYEVWSPSA-XJKSGUPXSA-N 2 1 278.396 2.342 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000624123581 350200840 /nfs/dbraw/zinc/20/08/40/350200840.db2.gz ONUQCDANPQBGFG-AJNGGQMLSA-N 2 1 266.429 2.121 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000339702813 215304564 /nfs/dbraw/zinc/30/45/64/215304564.db2.gz RRNOUKHAWQNOSW-MRXNPFEDSA-N 2 1 279.428 2.312 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000339702813 215304566 /nfs/dbraw/zinc/30/45/66/215304566.db2.gz RRNOUKHAWQNOSW-MRXNPFEDSA-N 2 1 279.428 2.312 20 0 CEADMP C[C@@H](C1CCCCC1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000352103142 219320929 /nfs/dbraw/zinc/32/09/29/219320929.db2.gz MUWYBONUZXDXFE-BBRMVZONSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000352103142 219320932 /nfs/dbraw/zinc/32/09/32/219320932.db2.gz MUWYBONUZXDXFE-BBRMVZONSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H](C1CCCCC1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000352103142 219320934 /nfs/dbraw/zinc/32/09/34/219320934.db2.gz MUWYBONUZXDXFE-BBRMVZONSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H](C1CCCCC1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352103142 219320937 /nfs/dbraw/zinc/32/09/37/219320937.db2.gz MUWYBONUZXDXFE-BBRMVZONSA-N 2 1 268.445 2.342 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000339702811 215305421 /nfs/dbraw/zinc/30/54/21/215305421.db2.gz RRNOUKHAWQNOSW-INIZCTEOSA-N 2 1 279.428 2.312 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000339702811 215305425 /nfs/dbraw/zinc/30/54/25/215305425.db2.gz RRNOUKHAWQNOSW-INIZCTEOSA-N 2 1 279.428 2.312 20 0 CEADMP CCc1[nH+]c2ccccc2c(NCC[N@H+]2CC[C@H](O)C2)c1C ZINC000624776518 350359410 /nfs/dbraw/zinc/35/94/10/350359410.db2.gz MIXUAZVNYXLLEG-AWEZNQCLSA-N 2 1 299.418 2.006 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000339710353 215311450 /nfs/dbraw/zinc/31/14/50/215311450.db2.gz MPIMDWDAUNEGOA-MRXNPFEDSA-N 2 1 270.461 2.449 20 0 CEADMP CCO[C@H](C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1)C1CC1 ZINC000625211420 350430454 /nfs/dbraw/zinc/43/04/54/350430454.db2.gz COXCBDDFDMUWHW-NWANDNLSSA-N 2 1 254.418 2.216 20 0 CEADMP CCO[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000625211420 350430457 /nfs/dbraw/zinc/43/04/57/350430457.db2.gz COXCBDDFDMUWHW-NWANDNLSSA-N 2 1 254.418 2.216 20 0 CEADMP CCO[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000625211420 350430460 /nfs/dbraw/zinc/43/04/60/350430460.db2.gz COXCBDDFDMUWHW-NWANDNLSSA-N 2 1 254.418 2.216 20 0 CEADMP CCO[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000625211420 350430464 /nfs/dbraw/zinc/43/04/64/350430464.db2.gz COXCBDDFDMUWHW-NWANDNLSSA-N 2 1 254.418 2.216 20 0 CEADMP CCO[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000625211420 350430468 /nfs/dbraw/zinc/43/04/68/350430468.db2.gz COXCBDDFDMUWHW-NWANDNLSSA-N 2 1 254.418 2.216 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@@H](C[NH+](C)CC)C1)C1CC1 ZINC000625214266 350431062 /nfs/dbraw/zinc/43/10/62/350431062.db2.gz HUCXGLNKIXRLFS-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000335634191 212348851 /nfs/dbraw/zinc/34/88/51/212348851.db2.gz NBIATBGXQXWFJE-GJZGRUSLSA-N 2 1 259.397 2.212 20 0 CEADMP CC[N@H+]1CCN(CC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000295156811 199376682 /nfs/dbraw/zinc/37/66/82/199376682.db2.gz GCWFRIWPQWDYQF-MRXNPFEDSA-N 2 1 275.440 2.144 20 0 CEADMP CC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000295156811 199376684 /nfs/dbraw/zinc/37/66/84/199376684.db2.gz GCWFRIWPQWDYQF-MRXNPFEDSA-N 2 1 275.440 2.144 20 0 CEADMP CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000295156811 199376686 /nfs/dbraw/zinc/37/66/86/199376686.db2.gz GCWFRIWPQWDYQF-MRXNPFEDSA-N 2 1 275.440 2.144 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C)CCC1(C)C ZINC000625722732 350554854 /nfs/dbraw/zinc/55/48/54/350554854.db2.gz BFOPEDAJSJNWIO-ZDUSSCGKSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)CCC1(C)C ZINC000625722732 350554857 /nfs/dbraw/zinc/55/48/57/350554857.db2.gz BFOPEDAJSJNWIO-ZDUSSCGKSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC(C)(C)CCC1(C)C ZINC000625722732 350554858 /nfs/dbraw/zinc/55/48/58/350554858.db2.gz BFOPEDAJSJNWIO-ZDUSSCGKSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC(C)(C)CCC1(C)C ZINC000625722732 350554863 /nfs/dbraw/zinc/55/48/63/350554863.db2.gz BFOPEDAJSJNWIO-ZDUSSCGKSA-N 2 1 256.434 2.200 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4n[nH]cc43)CC[C@H]21 ZINC000628190262 350997575 /nfs/dbraw/zinc/99/75/75/350997575.db2.gz ABIZESLPCCBBTC-WMLDXEAASA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4n[nH]cc43)CC[C@H]21 ZINC000628190262 350997578 /nfs/dbraw/zinc/99/75/78/350997578.db2.gz ABIZESLPCCBBTC-WMLDXEAASA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4n[nH]cc43)CC[C@H]21 ZINC000628190262 350997580 /nfs/dbraw/zinc/99/75/80/350997580.db2.gz ABIZESLPCCBBTC-WMLDXEAASA-N 2 1 284.407 2.479 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000628309065 351054801 /nfs/dbraw/zinc/05/48/01/351054801.db2.gz ZAKMDFCQUZPBLN-GFCCVEGCSA-N 2 1 263.385 2.374 20 0 CEADMP Cc1nc(C)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000628308758 351055242 /nfs/dbraw/zinc/05/52/42/351055242.db2.gz IIHCVOKSIRUNPJ-ZDUSSCGKSA-N 2 1 251.374 2.113 20 0 CEADMP C[C@@H](C(=O)NC[C@@H]1CCCC[NH+](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000628756641 351185178 /nfs/dbraw/zinc/18/51/78/351185178.db2.gz VTOUZKRFSTYOJX-FZKCQIBNSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000628756641 351185180 /nfs/dbraw/zinc/18/51/80/351185180.db2.gz VTOUZKRFSTYOJX-FZKCQIBNSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000628756641 351185183 /nfs/dbraw/zinc/18/51/83/351185183.db2.gz VTOUZKRFSTYOJX-FZKCQIBNSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[NH+](CC)CC ZINC000628966132 351228921 /nfs/dbraw/zinc/22/89/21/351228921.db2.gz ULOJEAKFKGHKAE-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629520240 351386896 /nfs/dbraw/zinc/38/68/96/351386896.db2.gz DOKSDPHUICFUTO-CYBMUJFWSA-N 2 1 278.396 2.162 20 0 CEADMP [NH3+]C1(C[NH2+][C@H]2CCSc3ccccc32)CCOCC1 ZINC000629523877 351389323 /nfs/dbraw/zinc/38/93/23/351389323.db2.gz KPYFRMYKMMAORW-ZDUSSCGKSA-N 2 1 278.421 2.321 20 0 CEADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629394664 351349204 /nfs/dbraw/zinc/34/92/04/351349204.db2.gz KJFJLOZCWVOWPT-UMVBOHGHSA-N 2 1 290.407 2.467 20 0 CEADMP CCC[N@H+](Cc1ccc(COC)o1)C1CC[NH2+]CC1 ZINC000629651296 351450025 /nfs/dbraw/zinc/45/00/25/351450025.db2.gz FKOVDQNJJXNKRY-UHFFFAOYSA-N 2 1 266.385 2.390 20 0 CEADMP CCC[N@@H+](Cc1ccc(COC)o1)C1CC[NH2+]CC1 ZINC000629651296 351450028 /nfs/dbraw/zinc/45/00/28/351450028.db2.gz FKOVDQNJJXNKRY-UHFFFAOYSA-N 2 1 266.385 2.390 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@H]1C(F)(F)F ZINC000629566507 351417470 /nfs/dbraw/zinc/41/74/70/351417470.db2.gz ZLJVALQTJBPVLE-NZEXEKPDSA-N 2 1 276.346 2.492 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1cccc(OC)c1Cl ZINC000629572218 351418843 /nfs/dbraw/zinc/41/88/43/351418843.db2.gz OSYIKUHBBSVBNC-UHFFFAOYSA-N 2 1 286.803 2.016 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(OC)c1Cl ZINC000629572218 351418848 /nfs/dbraw/zinc/41/88/48/351418848.db2.gz OSYIKUHBBSVBNC-UHFFFAOYSA-N 2 1 286.803 2.016 20 0 CEADMP COc1ccc(C)cc1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584122 351423332 /nfs/dbraw/zinc/42/33/32/351423332.db2.gz LUMVAYWXQNCIEH-CALCHBBNSA-N 2 1 274.408 2.435 20 0 CEADMP COc1ccc(C)cc1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584122 351423336 /nfs/dbraw/zinc/42/33/36/351423336.db2.gz LUMVAYWXQNCIEH-CALCHBBNSA-N 2 1 274.408 2.435 20 0 CEADMP C[NH2+]CCC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000629588945 351425212 /nfs/dbraw/zinc/42/52/12/351425212.db2.gz PATHNNDMPJMLGE-CYBMUJFWSA-N 2 1 266.360 2.233 20 0 CEADMP C[NH2+]CCC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000629588945 351425213 /nfs/dbraw/zinc/42/52/13/351425213.db2.gz PATHNNDMPJMLGE-CYBMUJFWSA-N 2 1 266.360 2.233 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000070344085 363073414 /nfs/dbraw/zinc/07/34/14/363073414.db2.gz IGOGSDAGOYSAJF-RRFJBIMHSA-N 2 1 254.418 2.408 20 0 CEADMP COc1cncc(CNC[C@@H]2CC[N@H+]2C(C)(C)C)c1C ZINC000630076345 351606182 /nfs/dbraw/zinc/60/61/82/351606182.db2.gz LABVVEACZJIWGR-AWEZNQCLSA-N 2 1 277.412 2.361 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC(CC)([NH+](C)C)CC2)CC[N@H+]1C ZINC000630080266 351607743 /nfs/dbraw/zinc/60/77/43/351607743.db2.gz VTTGQGOIDUNYQO-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000070360492 363075930 /nfs/dbraw/zinc/07/59/30/363075930.db2.gz YHJBINXNCCSCMV-KKUMJFAQSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000070357002 363076053 /nfs/dbraw/zinc/07/60/53/363076053.db2.gz ZORJJTFLFGZZAQ-DZKIICNBSA-N 2 1 266.429 2.264 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414127654 233755032 /nfs/dbraw/zinc/75/50/32/233755032.db2.gz SIJMIXZEMNTZPL-FVQBIDKESA-N 2 1 296.842 2.488 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000131574192 366067153 /nfs/dbraw/zinc/06/71/53/366067153.db2.gz AKPKFHVJXCOZOZ-UHFFFAOYSA-N 2 1 251.374 2.113 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)Nc2ccccc2C[NH+](C)C)CC[N@H+]1C ZINC000630720641 351833458 /nfs/dbraw/zinc/83/34/58/351833458.db2.gz VKTIFPCWZUJNAX-GOEBONIOSA-N 2 1 289.423 2.417 20 0 CEADMP CCCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000482133644 290313606 /nfs/dbraw/zinc/31/36/06/290313606.db2.gz DFQKHJFCRVOEQC-JKSUJKDBSA-N 2 1 297.487 2.393 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000124170415 187124950 /nfs/dbraw/zinc/12/49/50/187124950.db2.gz GETDBRBIMPYNMT-QGZVFWFLSA-N 2 1 298.434 2.363 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000124170415 187124951 /nfs/dbraw/zinc/12/49/51/187124951.db2.gz GETDBRBIMPYNMT-QGZVFWFLSA-N 2 1 298.434 2.363 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000123478608 187094495 /nfs/dbraw/zinc/09/44/95/187094495.db2.gz PUVDDZAMMYIPAM-IMJJTQAJSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)c2ccccc2)CC[N@H+]1C ZINC000123478608 187094496 /nfs/dbraw/zinc/09/44/96/187094496.db2.gz PUVDDZAMMYIPAM-IMJJTQAJSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccccc2)CC[NH+]1C ZINC000123478608 187094497 /nfs/dbraw/zinc/09/44/97/187094497.db2.gz PUVDDZAMMYIPAM-IMJJTQAJSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccccc2)CC[NH+]1C ZINC000123478608 187094498 /nfs/dbraw/zinc/09/44/98/187094498.db2.gz PUVDDZAMMYIPAM-IMJJTQAJSA-N 2 1 262.397 2.135 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1cncc(OC)c1C ZINC000631029475 351928141 /nfs/dbraw/zinc/92/81/41/351928141.db2.gz CSNYWVQJQIARFK-UHFFFAOYSA-N 2 1 265.401 2.220 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cncn1C ZINC000631196154 352010827 /nfs/dbraw/zinc/01/08/27/352010827.db2.gz NPCIMISASVNNRL-WBVHZDCISA-N 2 1 298.434 2.278 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cncn1C ZINC000631196154 352010828 /nfs/dbraw/zinc/01/08/28/352010828.db2.gz NPCIMISASVNNRL-WBVHZDCISA-N 2 1 298.434 2.278 20 0 CEADMP COc1cc(F)cc(OC)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000631107517 351966285 /nfs/dbraw/zinc/96/62/85/351966285.db2.gz CUCTZHURAACGKN-UHFFFAOYSA-N 2 1 294.370 2.194 20 0 CEADMP COc1cc(F)cc(OC)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000631107517 351966288 /nfs/dbraw/zinc/96/62/88/351966288.db2.gz CUCTZHURAACGKN-UHFFFAOYSA-N 2 1 294.370 2.194 20 0 CEADMP O[C@@H](CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(F)F ZINC000631220077 352023399 /nfs/dbraw/zinc/02/33/99/352023399.db2.gz TWHKDXRFSYRTNM-HNNXBMFYSA-N 2 1 298.377 2.257 20 0 CEADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CC1 ZINC000493900077 290946674 /nfs/dbraw/zinc/94/66/74/290946674.db2.gz JPGYKWRTLSHCFJ-QKPAOTATSA-N 2 1 278.440 2.264 20 0 CEADMP COc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1O ZINC000678587837 539891265 /nfs/dbraw/zinc/89/12/65/539891265.db2.gz SWTTZQUFKCCSOX-TZMCWYRMSA-N 2 1 278.396 2.016 20 0 CEADMP COC(=O)c1cccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000152508341 188023851 /nfs/dbraw/zinc/02/38/51/188023851.db2.gz WGRAOVGHHUYDKR-OAHLLOKOSA-N 2 1 290.407 2.247 20 0 CEADMP COC(=O)c1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152508341 188023852 /nfs/dbraw/zinc/02/38/52/188023852.db2.gz WGRAOVGHHUYDKR-OAHLLOKOSA-N 2 1 290.407 2.247 20 0 CEADMP COC(=O)c1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152508341 188023854 /nfs/dbraw/zinc/02/38/54/188023854.db2.gz WGRAOVGHHUYDKR-OAHLLOKOSA-N 2 1 290.407 2.247 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000153724704 188100083 /nfs/dbraw/zinc/10/00/83/188100083.db2.gz SZJXFOMYFIZQKT-MRXNPFEDSA-N 2 1 280.387 2.371 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000153746851 188100906 /nfs/dbraw/zinc/10/09/06/188100906.db2.gz NYVXUNXGBLCLNB-QGZVFWFLSA-N 2 1 292.423 2.240 20 0 CEADMP Cc1ccncc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250865913 539969600 /nfs/dbraw/zinc/96/96/00/539969600.db2.gz GUDUKKPZDMXNFK-GDBMZVCRSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ccncc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250865913 539969604 /nfs/dbraw/zinc/96/96/04/539969604.db2.gz GUDUKKPZDMXNFK-GDBMZVCRSA-N 2 1 259.397 2.354 20 0 CEADMP CCCCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000569393303 299199481 /nfs/dbraw/zinc/19/94/81/299199481.db2.gz ZJBAOBZFVASAKY-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccccc1O ZINC000154952682 188172945 /nfs/dbraw/zinc/17/29/45/188172945.db2.gz GXOLEKOAEKORBR-IPYPFGDCSA-N 2 1 262.397 2.253 20 0 CEADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccncc2)CC1 ZINC000156580164 188270428 /nfs/dbraw/zinc/27/04/28/188270428.db2.gz OTZXCXYVERGIPS-AWEZNQCLSA-N 2 1 277.412 2.233 20 0 CEADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000158719015 188390718 /nfs/dbraw/zinc/39/07/18/188390718.db2.gz YDYUYVLJVHNBRA-ZDUSSCGKSA-N 2 1 298.452 2.083 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)cn1 ZINC000569738349 299216243 /nfs/dbraw/zinc/21/62/43/299216243.db2.gz KTBDOMDCSMFBEH-ZDUSSCGKSA-N 2 1 275.400 2.481 20 0 CEADMP CCc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)o1 ZINC000133468055 366226677 /nfs/dbraw/zinc/22/66/77/366226677.db2.gz CNKZOVTXUIRWJH-AWEZNQCLSA-N 2 1 280.412 2.169 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCC1([NH3+])CCCCC1 ZINC000569842947 299222334 /nfs/dbraw/zinc/22/23/34/299222334.db2.gz FEQCCNUHGNVVRP-AWEZNQCLSA-N 2 1 281.444 2.029 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451709527 283080493 /nfs/dbraw/zinc/08/04/93/283080493.db2.gz ONEOYGMAULFKBS-YYIAUSFCSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451709527 283080495 /nfs/dbraw/zinc/08/04/95/283080495.db2.gz ONEOYGMAULFKBS-YYIAUSFCSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451709527 283080496 /nfs/dbraw/zinc/08/04/96/283080496.db2.gz ONEOYGMAULFKBS-YYIAUSFCSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451709527 283080498 /nfs/dbraw/zinc/08/04/98/283080498.db2.gz ONEOYGMAULFKBS-YYIAUSFCSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CCO)c1ccccc1 ZINC000271813073 191343028 /nfs/dbraw/zinc/34/30/28/191343028.db2.gz UPCBHGBALHWJNS-JKSUJKDBSA-N 2 1 262.397 2.184 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)ccc21 ZINC000271817326 191344106 /nfs/dbraw/zinc/34/41/06/191344106.db2.gz MWKKVOHZQHPFNR-WBVHZDCISA-N 2 1 298.434 2.489 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)ccc21 ZINC000271817326 191344108 /nfs/dbraw/zinc/34/41/08/191344108.db2.gz MWKKVOHZQHPFNR-WBVHZDCISA-N 2 1 298.434 2.489 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)ccc21 ZINC000271817326 191344110 /nfs/dbraw/zinc/34/41/10/191344110.db2.gz MWKKVOHZQHPFNR-WBVHZDCISA-N 2 1 298.434 2.489 20 0 CEADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000273598945 192222972 /nfs/dbraw/zinc/22/29/72/192222972.db2.gz LMDDNQLHKKCPRL-KGLIPLIRSA-N 2 1 277.412 2.442 20 0 CEADMP CCC1(CC)CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000385905053 540242868 /nfs/dbraw/zinc/24/28/68/540242868.db2.gz GWBOBJVEEDDCTQ-CQSZACIVSA-N 2 1 256.434 2.200 20 0 CEADMP CCC1(CC)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000385905053 540242869 /nfs/dbraw/zinc/24/28/69/540242869.db2.gz GWBOBJVEEDDCTQ-CQSZACIVSA-N 2 1 256.434 2.200 20 0 CEADMP CCC1(CC)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000385905053 540242873 /nfs/dbraw/zinc/24/28/73/540242873.db2.gz GWBOBJVEEDDCTQ-CQSZACIVSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)C1CCC(CO)CC1 ZINC000338286285 366272876 /nfs/dbraw/zinc/27/28/76/366272876.db2.gz ZWVITUYJNRHYKJ-UHFFFAOYSA-N 2 1 256.434 2.201 20 0 CEADMP CSCCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000075677812 363481780 /nfs/dbraw/zinc/48/17/80/363481780.db2.gz PILNQPFQHWWUNX-IYBDPMFKSA-N 2 1 299.528 2.230 20 0 CEADMP CCOC(=O)CCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860204 363493595 /nfs/dbraw/zinc/49/35/95/363493595.db2.gz YAZJSVJGBZCVJW-AWEZNQCLSA-N 2 1 270.417 2.136 20 0 CEADMP CCOC(=O)CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860204 363493602 /nfs/dbraw/zinc/49/36/02/363493602.db2.gz YAZJSVJGBZCVJW-AWEZNQCLSA-N 2 1 270.417 2.136 20 0 CEADMP CCOC(=O)CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860204 363493610 /nfs/dbraw/zinc/49/36/10/363493610.db2.gz YAZJSVJGBZCVJW-AWEZNQCLSA-N 2 1 270.417 2.136 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](CCCO)C1 ZINC000452119839 283193878 /nfs/dbraw/zinc/19/38/78/283193878.db2.gz LLQXCVLZKWABBU-HNNXBMFYSA-N 2 1 265.401 2.066 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](CCCO)C1 ZINC000452119839 283193880 /nfs/dbraw/zinc/19/38/80/283193880.db2.gz LLQXCVLZKWABBU-HNNXBMFYSA-N 2 1 265.401 2.066 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000076005089 363506592 /nfs/dbraw/zinc/50/65/92/363506592.db2.gz HUDPROZPPOFZKJ-HNNXBMFYSA-N 2 1 261.413 2.288 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000076005089 363506598 /nfs/dbraw/zinc/50/65/98/363506598.db2.gz HUDPROZPPOFZKJ-HNNXBMFYSA-N 2 1 261.413 2.288 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cscn2)[C@H](C)C1 ZINC000134858345 366365835 /nfs/dbraw/zinc/36/58/35/366365835.db2.gz HUWVYQBSRHOCSV-YPMHNXCESA-N 2 1 253.415 2.006 20 0 CEADMP COCC[N@H+]1CC[C@@H](Nc2ccc(C[NH+](C)C)cc2F)C1 ZINC000414494589 236386647 /nfs/dbraw/zinc/38/66/47/236386647.db2.gz FMJJIQOHSIEYKB-CQSZACIVSA-N 2 1 295.402 2.020 20 0 CEADMP C[NH+](C)Cc1cnc(CN[C@H](C[NH3+])C2CCCCC2)s1 ZINC000414853851 236519222 /nfs/dbraw/zinc/51/92/22/236519222.db2.gz UBCNDFOPFMCMSL-CQSZACIVSA-N 2 1 296.484 2.202 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000577741766 366391373 /nfs/dbraw/zinc/39/13/73/366391373.db2.gz AWWKDFUPDPTMHR-SJORKVTESA-N 2 1 294.414 2.102 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000577741766 366391381 /nfs/dbraw/zinc/39/13/81/366391381.db2.gz AWWKDFUPDPTMHR-SJORKVTESA-N 2 1 294.414 2.102 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000577741766 366391387 /nfs/dbraw/zinc/39/13/87/366391387.db2.gz AWWKDFUPDPTMHR-SJORKVTESA-N 2 1 294.414 2.102 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000578026420 366434355 /nfs/dbraw/zinc/43/43/55/366434355.db2.gz SUQDXTDYXMAXRG-LBPRGKRZSA-N 2 1 262.401 2.310 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000570832051 299280526 /nfs/dbraw/zinc/28/05/26/299280526.db2.gz YNWSKHNJZRKXKO-NSHDSACASA-N 2 1 254.349 2.485 20 0 CEADMP OC1CC[NH+](CCC[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338686076 366469085 /nfs/dbraw/zinc/46/90/85/366469085.db2.gz CTFOYWMVJYKGBW-UHFFFAOYSA-N 2 1 280.456 2.392 20 0 CEADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000578523157 366508066 /nfs/dbraw/zinc/50/80/66/366508066.db2.gz ONKOIXNPRJKVHY-CMPLNLGQSA-N 2 1 282.350 2.152 20 0 CEADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000578523157 366508069 /nfs/dbraw/zinc/50/80/69/366508069.db2.gz ONKOIXNPRJKVHY-CMPLNLGQSA-N 2 1 282.350 2.152 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000311049881 540453975 /nfs/dbraw/zinc/45/39/75/540453975.db2.gz QMVZPJGURGQFDK-CABCVRRESA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000311049881 540453980 /nfs/dbraw/zinc/45/39/80/540453980.db2.gz QMVZPJGURGQFDK-CABCVRRESA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000311049881 540453982 /nfs/dbraw/zinc/45/39/82/540453982.db2.gz QMVZPJGURGQFDK-CABCVRRESA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H]1CCCCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000311104691 540454444 /nfs/dbraw/zinc/45/44/44/540454444.db2.gz CZRMNCPVCAKPCG-LSDHHAIUSA-N 2 1 256.434 2.342 20 0 CEADMP CC[C@H]1CCCCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000311104691 540454447 /nfs/dbraw/zinc/45/44/47/540454447.db2.gz CZRMNCPVCAKPCG-LSDHHAIUSA-N 2 1 256.434 2.342 20 0 CEADMP CC[C@H]1CCCCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000311104691 540454451 /nfs/dbraw/zinc/45/44/51/540454451.db2.gz CZRMNCPVCAKPCG-LSDHHAIUSA-N 2 1 256.434 2.342 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000571047200 299291890 /nfs/dbraw/zinc/29/18/90/299291890.db2.gz KYFGYELIMHZMCY-UHFFFAOYSA-N 2 1 264.413 2.391 20 0 CEADMP c1cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667682072 540518873 /nfs/dbraw/zinc/51/88/73/540518873.db2.gz ZNTGYAUHZPJZAL-CABCVRRESA-N 2 1 298.390 2.126 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667682072 540518875 /nfs/dbraw/zinc/51/88/75/540518875.db2.gz ZNTGYAUHZPJZAL-CABCVRRESA-N 2 1 298.390 2.126 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000666852296 540509564 /nfs/dbraw/zinc/50/95/64/540509564.db2.gz ZWPHFEHVLNYLKJ-KGLIPLIRSA-N 2 1 270.380 2.436 20 0 CEADMP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H]1CC[C@H](O)CC1 ZINC000668033522 540558003 /nfs/dbraw/zinc/55/80/03/540558003.db2.gz CVWNHYDHDSHAAO-SAZUREKKSA-N 2 1 286.379 2.003 20 0 CEADMP CCc1ccc2[nH+]ccc(NC[C@@H]3C[N@@H+](C)CCN3C)c2c1 ZINC000297222073 200117906 /nfs/dbraw/zinc/11/79/06/200117906.db2.gz STIQPTYKKGQWMJ-OAHLLOKOSA-N 2 1 298.434 2.455 20 0 CEADMP CCc1ccc2[nH+]ccc(NC[C@@H]3CN(C)CC[N@@H+]3C)c2c1 ZINC000297222073 200117907 /nfs/dbraw/zinc/11/79/07/200117907.db2.gz STIQPTYKKGQWMJ-OAHLLOKOSA-N 2 1 298.434 2.455 20 0 CEADMP CCc1ccc2[nH+]ccc(NC[C@@H]3CN(C)CC[N@H+]3C)c2c1 ZINC000297222073 200117908 /nfs/dbraw/zinc/11/79/08/200117908.db2.gz STIQPTYKKGQWMJ-OAHLLOKOSA-N 2 1 298.434 2.455 20 0 CEADMP CSCC[N@@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000138281543 366551999 /nfs/dbraw/zinc/55/19/99/366551999.db2.gz WWDZTVJPTFKROY-UHFFFAOYSA-N 2 1 262.382 2.062 20 0 CEADMP CC[C@@H](C(=O)N1[C@H](C)C[N@H+](CC)C[C@@H]1C)[NH+](CC)CC ZINC000578883212 366562505 /nfs/dbraw/zinc/56/25/05/366562505.db2.gz UBVROGNKUHSINV-ZNMIVQPWSA-N 2 1 283.460 2.048 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000149414868 366589136 /nfs/dbraw/zinc/58/91/36/366589136.db2.gz NAMXIFLKHNAOAR-HNNXBMFYSA-N 2 1 264.800 2.491 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CCO)C1CCCCC1 ZINC000579137628 366600796 /nfs/dbraw/zinc/60/07/96/366600796.db2.gz GNPVKODXLPHLDM-MRXNPFEDSA-N 2 1 279.428 2.274 20 0 CEADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)cn2)c1 ZINC000673601491 540679916 /nfs/dbraw/zinc/67/99/16/540679916.db2.gz LSJHAVFFRVFYBJ-UHFFFAOYSA-N 2 1 272.396 2.162 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)cn2)c1 ZINC000673601491 540679917 /nfs/dbraw/zinc/67/99/17/540679917.db2.gz LSJHAVFFRVFYBJ-UHFFFAOYSA-N 2 1 272.396 2.162 20 0 CEADMP Fc1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339065968 366638297 /nfs/dbraw/zinc/63/82/97/366638297.db2.gz CQDAHKKOUMGGEE-HUUCEWRRSA-N 2 1 278.371 2.421 20 0 CEADMP C[C@H]([NH2+]Cc1cccc(F)c1F)[C@H]1CCC[NH2+]C1 ZINC000579567766 366664438 /nfs/dbraw/zinc/66/44/38/366664438.db2.gz CXLUSEFGRHRMAG-QWRGUYRKSA-N 2 1 254.324 2.443 20 0 CEADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000298230017 200366779 /nfs/dbraw/zinc/36/67/79/200366779.db2.gz YLWNGCONAXMXTC-GDBMZVCRSA-N 2 1 292.423 2.193 20 0 CEADMP c1ccc(NCCCC[NH2+]C2CC[NH+](C3CC3)CC2)nc1 ZINC000298234715 200367748 /nfs/dbraw/zinc/36/77/48/200367748.db2.gz BRTQRJRGLYLWTK-UHFFFAOYSA-N 2 1 288.439 2.490 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2OC)[C@@H](C)C1 ZINC000341878664 216135470 /nfs/dbraw/zinc/13/54/70/216135470.db2.gz SEAOAVIEPQISPN-ZQDZILKHSA-N 2 1 254.418 2.121 20 0 CEADMP CCOC(=O)C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000341906790 216146743 /nfs/dbraw/zinc/14/67/43/216146743.db2.gz ARNVOHFBXXHUPK-UHFFFAOYSA-N 2 1 296.455 2.384 20 0 CEADMP CCOC(=O)C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000341906790 216146746 /nfs/dbraw/zinc/14/67/46/216146746.db2.gz ARNVOHFBXXHUPK-UHFFFAOYSA-N 2 1 296.455 2.384 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000341902024 216146997 /nfs/dbraw/zinc/14/69/97/216146997.db2.gz HJQPIMDUERFFBG-KBUPBQIOSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC)c2)C1 ZINC000177838004 189073340 /nfs/dbraw/zinc/07/33/40/189073340.db2.gz LNDBKEGDZWPXDB-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC)c2)C1 ZINC000177838004 189073341 /nfs/dbraw/zinc/07/33/41/189073341.db2.gz LNDBKEGDZWPXDB-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OC)c2)C1 ZINC000177838004 189073342 /nfs/dbraw/zinc/07/33/42/189073342.db2.gz LNDBKEGDZWPXDB-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000177838004 189073343 /nfs/dbraw/zinc/07/33/43/189073343.db2.gz LNDBKEGDZWPXDB-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)NCC[C@H](C)[NH3+])cc1)C(C)C ZINC000178655720 189135332 /nfs/dbraw/zinc/13/53/32/189135332.db2.gz WQJIWFLCFKAKTD-AWEZNQCLSA-N 2 1 291.439 2.384 20 0 CEADMP C[N@H+]1CCC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000675768053 540872245 /nfs/dbraw/zinc/87/22/45/540872245.db2.gz WJEPYBAEFBDTMA-INIZCTEOSA-N 2 1 279.472 2.467 20 0 CEADMP CN1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000675768053 540872247 /nfs/dbraw/zinc/87/22/47/540872247.db2.gz WJEPYBAEFBDTMA-INIZCTEOSA-N 2 1 279.472 2.467 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000571603968 299318145 /nfs/dbraw/zinc/31/81/45/299318145.db2.gz ULIOXPUKNPCOEY-ZACQAIPSSA-N 2 1 276.424 2.225 20 0 CEADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(-c2ccccc2)n1 ZINC000180231039 189245316 /nfs/dbraw/zinc/24/53/16/189245316.db2.gz ITSOFVRNNDMRGX-HNNXBMFYSA-N 2 1 298.434 2.471 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(-c2ccccc2)n1 ZINC000180231039 189245317 /nfs/dbraw/zinc/24/53/17/189245317.db2.gz ITSOFVRNNDMRGX-HNNXBMFYSA-N 2 1 298.434 2.471 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000677239950 540995607 /nfs/dbraw/zinc/99/56/07/540995607.db2.gz AKSJXUDHQZAHRV-UXLLHSPISA-N 2 1 274.408 2.245 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677239950 540995610 /nfs/dbraw/zinc/99/56/10/540995610.db2.gz AKSJXUDHQZAHRV-UXLLHSPISA-N 2 1 274.408 2.245 20 0 CEADMP Cn1cncc1CCC[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000579731210 366694307 /nfs/dbraw/zinc/69/43/07/366694307.db2.gz ZYKMKHWEDDVWMT-CVEARBPZSA-N 2 1 289.423 2.386 20 0 CEADMP CC[N@H+](CCNc1cc(C)[nH+]c(C)n1)CCC(F)(F)F ZINC000491573089 541052757 /nfs/dbraw/zinc/05/27/57/541052757.db2.gz QQJNELURJLZVRQ-UHFFFAOYSA-N 2 1 290.333 2.202 20 0 CEADMP CC[N@@H+](CCNc1cc(C)[nH+]c(C)n1)CCC(F)(F)F ZINC000491573089 541052760 /nfs/dbraw/zinc/05/27/60/541052760.db2.gz QQJNELURJLZVRQ-UHFFFAOYSA-N 2 1 290.333 2.202 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000237053475 370684885 /nfs/dbraw/zinc/68/48/85/370684885.db2.gz MRXFMPNWNHBKMX-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@@H+](CCCNC(=O)C[C@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000340127752 366778855 /nfs/dbraw/zinc/77/88/55/366778855.db2.gz ZIEYCFXWQITUEM-ZBFHGGJFSA-N 2 1 295.471 2.275 20 0 CEADMP [NH3+]C1(c2noc([C@@H]3CCc4[nH+]ccn4C3)n2)CCCCC1 ZINC000581720670 366814863 /nfs/dbraw/zinc/81/48/63/366814863.db2.gz HBWPQWICSYRBOK-LLVKDONJSA-N 2 1 287.367 2.114 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)C(F)(F)F)C1 ZINC000581721454 366814931 /nfs/dbraw/zinc/81/49/31/366814931.db2.gz WQZQNFBBAMGDQW-NWDGAFQWSA-N 2 1 282.350 2.011 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cscn1 ZINC000678113892 541082988 /nfs/dbraw/zinc/08/29/88/541082988.db2.gz NHBOLYNYOGPWLF-SNVBAGLBSA-N 2 1 250.371 2.389 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2n[nH]c3ccccc32)CC1 ZINC000678138851 541087491 /nfs/dbraw/zinc/08/74/91/541087491.db2.gz CCJFZBBXPZOZEF-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP COc1ccccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000019905685 361565173 /nfs/dbraw/zinc/56/51/73/361565173.db2.gz KOIIOLNBIAIOEF-UHFFFAOYSA-N 2 1 250.386 2.373 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2-n2cncn2)C1 ZINC000678285461 541111316 /nfs/dbraw/zinc/11/13/16/541111316.db2.gz DXQRXKGHTWLPEV-HNNXBMFYSA-N 2 1 299.422 2.041 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2-n2cncn2)C1 ZINC000678285461 541111318 /nfs/dbraw/zinc/11/13/18/541111318.db2.gz DXQRXKGHTWLPEV-HNNXBMFYSA-N 2 1 299.422 2.041 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2-n2cncn2)C1 ZINC000678285461 541111319 /nfs/dbraw/zinc/11/13/19/541111319.db2.gz DXQRXKGHTWLPEV-HNNXBMFYSA-N 2 1 299.422 2.041 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2-n2cncn2)C1 ZINC000678285461 541111321 /nfs/dbraw/zinc/11/13/21/541111321.db2.gz DXQRXKGHTWLPEV-HNNXBMFYSA-N 2 1 299.422 2.041 20 0 CEADMP C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)C1CC[NH+](C)CC1 ZINC000678598696 541156172 /nfs/dbraw/zinc/15/61/72/541156172.db2.gz MFFGRHRKEJLUMZ-FZMZJTMJSA-N 2 1 262.401 2.107 20 0 CEADMP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000678608160 541157847 /nfs/dbraw/zinc/15/78/47/541157847.db2.gz ILQXNJGLIXFGEF-MRXNPFEDSA-N 2 1 287.407 2.168 20 0 CEADMP C[NH2+]CCCC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000237166701 370696367 /nfs/dbraw/zinc/69/63/67/370696367.db2.gz CTYTZLXJCKZCSO-HNNXBMFYSA-N 2 1 291.439 2.013 20 0 CEADMP COc1c(C)cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1C ZINC000084197020 363801399 /nfs/dbraw/zinc/80/13/99/363801399.db2.gz CNOMEQJEHXSJRZ-KRWDZBQOSA-N 2 1 274.408 2.497 20 0 CEADMP C[C@H](CCCCO)[NH2+][C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000679338955 541259718 /nfs/dbraw/zinc/25/97/18/541259718.db2.gz LAZFNOKSAMJDEE-QKPAOTATSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@H](CCCCO)[NH2+][C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000679338955 541259721 /nfs/dbraw/zinc/25/97/21/541259721.db2.gz LAZFNOKSAMJDEE-QKPAOTATSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+]Cc1sccc1Br ZINC000087575926 363861378 /nfs/dbraw/zinc/86/13/78/363861378.db2.gz YKNKLFHEPLGCCY-ZETCQYMHSA-N 2 1 263.204 2.195 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C12CCC2 ZINC000087710709 363867455 /nfs/dbraw/zinc/86/74/55/363867455.db2.gz JUKOYODTFSLZMB-SOUVJXGZSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(Cl)cn1 ZINC000090409507 364055619 /nfs/dbraw/zinc/05/56/19/364055619.db2.gz KSRVLLAZBMHQDT-MBNYWOFBSA-N 2 1 297.830 2.432 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000090773352 364064365 /nfs/dbraw/zinc/06/43/65/364064365.db2.gz BKIDBJIAGUYXHZ-TWMKSMIVSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000090773352 364064371 /nfs/dbraw/zinc/06/43/71/364064371.db2.gz BKIDBJIAGUYXHZ-TWMKSMIVSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000090773352 364064376 /nfs/dbraw/zinc/06/43/76/364064376.db2.gz BKIDBJIAGUYXHZ-TWMKSMIVSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000090811128 364065651 /nfs/dbraw/zinc/06/56/51/364065651.db2.gz JLRGRCRMESQVGT-LXTVHRRPSA-N 2 1 270.461 2.348 20 0 CEADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2nccs2)CC1 ZINC000093397607 364175627 /nfs/dbraw/zinc/17/56/27/364175627.db2.gz PMWYRQOKSRBNDS-CQSZACIVSA-N 2 1 296.484 2.211 20 0 CEADMP Cn1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563824 364200592 /nfs/dbraw/zinc/20/05/92/364200592.db2.gz YIHGHRZGMMLLEZ-MRXNPFEDSA-N 2 1 261.413 2.475 20 0 CEADMP Cn1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563824 364200593 /nfs/dbraw/zinc/20/05/93/364200593.db2.gz YIHGHRZGMMLLEZ-MRXNPFEDSA-N 2 1 261.413 2.475 20 0 CEADMP Cc1ccn2c(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cnc2c1 ZINC000334692964 364189827 /nfs/dbraw/zinc/18/98/27/364189827.db2.gz JKYSUUVSSRRMHL-UONOGXRCSA-N 2 1 272.396 2.202 20 0 CEADMP Cc1ccn2c(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cnc2c1 ZINC000334692964 364189830 /nfs/dbraw/zinc/18/98/30/364189830.db2.gz JKYSUUVSSRRMHL-UONOGXRCSA-N 2 1 272.396 2.202 20 0 CEADMP COCc1cccc(C[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000093872975 364237527 /nfs/dbraw/zinc/23/75/27/364237527.db2.gz VUEWDZNYTDJCOP-UHFFFAOYSA-N 2 1 250.386 2.250 20 0 CEADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000094010612 364246260 /nfs/dbraw/zinc/24/62/60/364246260.db2.gz QFEKVABVLHMWSV-GOSISDBHSA-N 2 1 287.451 2.192 20 0 CEADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000334738362 364251814 /nfs/dbraw/zinc/25/18/14/364251814.db2.gz JRUPMCSTNFEAOW-JKSUJKDBSA-N 2 1 259.397 2.415 20 0 CEADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000334738362 364251817 /nfs/dbraw/zinc/25/18/17/364251817.db2.gz JRUPMCSTNFEAOW-JKSUJKDBSA-N 2 1 259.397 2.415 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000094424210 364272860 /nfs/dbraw/zinc/27/28/60/364272860.db2.gz GUNYKYXTIBOZKP-CHWSQXEVSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1ncsc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334869076 364281744 /nfs/dbraw/zinc/28/17/44/364281744.db2.gz OMLDZWZXLBCKMN-OLZOCXBDSA-N 2 1 265.426 2.416 20 0 CEADMP C1CC1[NH+]1CCC([N@@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000334880704 364282506 /nfs/dbraw/zinc/28/25/06/364282506.db2.gz DNYCAHGVBUVPOJ-INIZCTEOSA-N 2 1 264.413 2.116 20 0 CEADMP C1CC1[NH+]1CCC([N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000334880704 364282509 /nfs/dbraw/zinc/28/25/09/364282509.db2.gz DNYCAHGVBUVPOJ-INIZCTEOSA-N 2 1 264.413 2.116 20 0 CEADMP CC[N@H+]1CCCN(C(=O)c2cccc(-n3ccnc3)c2)CC1 ZINC000335121704 364506353 /nfs/dbraw/zinc/50/63/53/364506353.db2.gz PHTWTGQRYRDWCV-UHFFFAOYSA-N 2 1 298.390 2.040 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc(N(C)C)n2C)C(C)(C)C1 ZINC000335147278 364541129 /nfs/dbraw/zinc/54/11/29/364541129.db2.gz QKSQWGSZUZWCND-LLVKDONJSA-N 2 1 250.390 2.107 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000158885352 366860236 /nfs/dbraw/zinc/86/02/36/366860236.db2.gz CQMKPTFMCIPZPV-WZYMTQMTSA-N 2 1 276.428 2.267 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000158885352 366860240 /nfs/dbraw/zinc/86/02/40/366860240.db2.gz CQMKPTFMCIPZPV-WZYMTQMTSA-N 2 1 276.428 2.267 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2F)CC12CCOCC2 ZINC000335254622 364674760 /nfs/dbraw/zinc/67/47/60/364674760.db2.gz ZWXRKRGTTBSFQP-CQSZACIVSA-N 2 1 278.371 2.013 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000104095338 364677423 /nfs/dbraw/zinc/67/74/23/364677423.db2.gz IGLUHFVXNSLTKF-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000104095338 364677424 /nfs/dbraw/zinc/67/74/24/364677424.db2.gz IGLUHFVXNSLTKF-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000104095338 364677425 /nfs/dbraw/zinc/67/74/25/364677425.db2.gz IGLUHFVXNSLTKF-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP C[NH+]1CCCC12CCN(CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC000335305294 364681237 /nfs/dbraw/zinc/68/12/37/364681237.db2.gz DUOHBSYOYWOGGG-HNNXBMFYSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCC[C@H]1CCN1CCC2(CCC[N@@H+]2C)CC1 ZINC000335305294 364681243 /nfs/dbraw/zinc/68/12/43/364681243.db2.gz DUOHBSYOYWOGGG-HNNXBMFYSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCC[C@H]1CCN1CCC2(CCC[N@H+]2C)CC1 ZINC000335305294 364681247 /nfs/dbraw/zinc/68/12/47/364681247.db2.gz DUOHBSYOYWOGGG-HNNXBMFYSA-N 2 1 265.445 2.031 20 0 CEADMP Cc1cccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000335464630 364768046 /nfs/dbraw/zinc/76/80/46/364768046.db2.gz XORWIALXNJBJGR-NVXWUHKLSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1cccc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000335464630 364768052 /nfs/dbraw/zinc/76/80/52/364768052.db2.gz XORWIALXNJBJGR-NVXWUHKLSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1cccc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000335464630 364768056 /nfs/dbraw/zinc/76/80/56/364768056.db2.gz XORWIALXNJBJGR-NVXWUHKLSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1cccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000335464632 364768953 /nfs/dbraw/zinc/76/89/53/364768953.db2.gz XORWIALXNJBJGR-WBVHZDCISA-N 2 1 273.424 2.349 20 0 CEADMP Cc1cccc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000335464632 364768961 /nfs/dbraw/zinc/76/89/61/364768961.db2.gz XORWIALXNJBJGR-WBVHZDCISA-N 2 1 273.424 2.349 20 0 CEADMP Cc1cccc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000335464632 364768966 /nfs/dbraw/zinc/76/89/66/364768966.db2.gz XORWIALXNJBJGR-WBVHZDCISA-N 2 1 273.424 2.349 20 0 CEADMP Cc1cc(-n2ccnc2)ccc1CN1CCOC[C@H]1C ZINC000335761201 364944851 /nfs/dbraw/zinc/94/48/51/364944851.db2.gz YXFVBOCFMMTCLX-CQSZACIVSA-N 2 1 271.364 2.401 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCCOC1 ZINC000356898543 370801373 /nfs/dbraw/zinc/80/13/73/370801373.db2.gz NEEWZBPONJPRPR-MGLUKCQKSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCCOC1 ZINC000356898543 370801379 /nfs/dbraw/zinc/80/13/79/370801379.db2.gz NEEWZBPONJPRPR-MGLUKCQKSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000119028700 365202321 /nfs/dbraw/zinc/20/23/21/365202321.db2.gz BZERHTLUWCYAFM-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245201860 370806034 /nfs/dbraw/zinc/80/60/34/370806034.db2.gz NMPQWAYWIQXBTQ-FPCVCCKLSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000245410452 370815782 /nfs/dbraw/zinc/81/57/82/370815782.db2.gz RBLAUPPVTWZGCT-KKUMJFAQSA-N 2 1 283.460 2.096 20 0 CEADMP CCn1cc([C@H](C)[NH2+]C2CC[NH+](CCCOC)CC2)cn1 ZINC000159151167 366882066 /nfs/dbraw/zinc/88/20/66/366882066.db2.gz MHEGQCYGRLBMLE-AWEZNQCLSA-N 2 1 294.443 2.055 20 0 CEADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1c(C)nn(C)c1C ZINC000582368146 366901907 /nfs/dbraw/zinc/90/19/07/366901907.db2.gz XZUCSIVPWBOKFW-OAHLLOKOSA-N 2 1 289.427 2.444 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000582394880 366905052 /nfs/dbraw/zinc/90/50/52/366905052.db2.gz UTORIHYVFLAIIW-QQFBHYJXSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H](CNc1cc[nH+]cc1Br)[NH+](C)C ZINC000159824063 366951848 /nfs/dbraw/zinc/95/18/48/366951848.db2.gz BPILNCWFKKSTLX-QMMMGPOBSA-N 2 1 258.163 2.206 20 0 CEADMP Cc1ccc(CCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000340685112 366985759 /nfs/dbraw/zinc/98/57/59/366985759.db2.gz ZSVRCSZHYMJZPX-UHFFFAOYSA-N 2 1 273.424 2.398 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000583071863 366996440 /nfs/dbraw/zinc/99/64/40/366996440.db2.gz WKJRCSIQRXEXST-UKRRQHHQSA-N 2 1 290.407 2.278 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[NH2+]C3CC3)c2C1 ZINC000583146201 367007479 /nfs/dbraw/zinc/00/74/79/367007479.db2.gz QCKNQUXTOPGDHP-UHFFFAOYSA-N 2 1 273.380 2.103 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)C[NH2+]C3CC3)c2C1 ZINC000583146201 367007487 /nfs/dbraw/zinc/00/74/87/367007487.db2.gz QCKNQUXTOPGDHP-UHFFFAOYSA-N 2 1 273.380 2.103 20 0 CEADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000583494039 367057638 /nfs/dbraw/zinc/05/76/38/367057638.db2.gz FUPPBWGPKIRPOX-CJNGLKHVSA-N 2 1 290.407 2.041 20 0 CEADMP C[NH+](C)CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)C(C)(C)C ZINC000584004320 367129888 /nfs/dbraw/zinc/12/98/88/367129888.db2.gz HQCBARFNIIJOCW-MJBXVCDLSA-N 2 1 255.450 2.212 20 0 CEADMP C[NH+](C)CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)C(C)(C)C ZINC000584004318 367129959 /nfs/dbraw/zinc/12/99/59/367129959.db2.gz HQCBARFNIIJOCW-IHRRRGAJSA-N 2 1 255.450 2.212 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H]1CCCC[C@H]1C ZINC000584060784 367136793 /nfs/dbraw/zinc/13/67/93/367136793.db2.gz BCFSGRSHWNATOK-ILXRZTDVSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H]1CCCC[C@H]1C ZINC000584060784 367136798 /nfs/dbraw/zinc/13/67/98/367136798.db2.gz BCFSGRSHWNATOK-ILXRZTDVSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@H]1CCCC[C@H]1C ZINC000584060784 367136804 /nfs/dbraw/zinc/13/68/04/367136804.db2.gz BCFSGRSHWNATOK-ILXRZTDVSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@H]1CCCC[C@H]1C ZINC000584060784 367136809 /nfs/dbraw/zinc/13/68/09/367136809.db2.gz BCFSGRSHWNATOK-ILXRZTDVSA-N 2 1 256.434 2.200 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CCC[N@H+](C(C)(C)C)CC1 ZINC000584100722 367142009 /nfs/dbraw/zinc/14/20/09/367142009.db2.gz UWDMBOXNOOGEKZ-AWEZNQCLSA-N 2 1 255.450 2.166 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000164087306 367276413 /nfs/dbraw/zinc/27/64/13/367276413.db2.gz GAWBGUDMVNCCCV-OLZOCXBDSA-N 2 1 299.459 2.220 20 0 CEADMP CCC[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000165997048 367317027 /nfs/dbraw/zinc/31/70/27/367317027.db2.gz IHTWCNWCGYWWDM-INIZCTEOSA-N 2 1 291.439 2.270 20 0 CEADMP Cc1cnc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000341411450 367327887 /nfs/dbraw/zinc/32/78/87/367327887.db2.gz WHFHGZJHCAJTLO-KRWDZBQOSA-N 2 1 298.434 2.340 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCC[C@H](CO)C1 ZINC000342258735 367398323 /nfs/dbraw/zinc/39/83/23/367398323.db2.gz ZBTFMKQHQNCCKC-KBPBESRZSA-N 2 1 277.412 2.036 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631575679 367413314 /nfs/dbraw/zinc/41/33/14/367413314.db2.gz WHTKVHVADONZHR-AJNGGQMLSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631575679 367413315 /nfs/dbraw/zinc/41/33/15/367413315.db2.gz WHTKVHVADONZHR-AJNGGQMLSA-N 2 1 266.429 2.264 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631583063 367418647 /nfs/dbraw/zinc/41/86/47/367418647.db2.gz VROGEERRXJBLRO-BBRMVZONSA-N 2 1 259.397 2.390 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)F)[C@@H](C)C1 ZINC000631658455 367470641 /nfs/dbraw/zinc/47/06/41/367470641.db2.gz KZIIESDNOWXGJV-KBPBESRZSA-N 2 1 274.424 2.461 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342701555 367490259 /nfs/dbraw/zinc/49/02/59/367490259.db2.gz YXPZAOIEQSUQDS-ARFHVFGLSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1cc(C)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(C)n1 ZINC000631827978 367566339 /nfs/dbraw/zinc/56/63/39/367566339.db2.gz BGCJLKJLDXWMRJ-XHDPSFHLSA-N 2 1 261.413 2.424 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc2c1CCOC2 ZINC000631821320 367560033 /nfs/dbraw/zinc/56/00/33/367560033.db2.gz VHLPMQKAAHEFDQ-CXAGYDPISA-N 2 1 274.408 2.461 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc2c1CCOC2 ZINC000631821320 367560039 /nfs/dbraw/zinc/56/00/39/367560039.db2.gz VHLPMQKAAHEFDQ-CXAGYDPISA-N 2 1 274.408 2.461 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631841993 367583851 /nfs/dbraw/zinc/58/38/51/367583851.db2.gz SRKPWJHBEBFQDK-QLFBSQMISA-N 2 1 289.423 2.157 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631841993 367583856 /nfs/dbraw/zinc/58/38/56/367583856.db2.gz SRKPWJHBEBFQDK-QLFBSQMISA-N 2 1 289.423 2.157 20 0 CEADMP [NH3+]CCOCC[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000631835408 367572757 /nfs/dbraw/zinc/57/27/57/367572757.db2.gz TZWKIPBWHQMEEW-UHFFFAOYSA-N 2 1 288.313 2.039 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000631835408 367572763 /nfs/dbraw/zinc/57/27/63/367572763.db2.gz TZWKIPBWHQMEEW-UHFFFAOYSA-N 2 1 288.313 2.039 20 0 CEADMP CC1([NH+]2CCCC2)CCN(CCC2CC[NH2+]CC2)CC1 ZINC000631836991 367576609 /nfs/dbraw/zinc/57/66/09/367576609.db2.gz LDUCOKDAZGNKIR-UHFFFAOYSA-N 2 1 279.472 2.326 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCOCCc1ccccc1 ZINC000631858788 367595312 /nfs/dbraw/zinc/59/53/12/367595312.db2.gz DMHBKPJIARSTNJ-ZBFHGGJFSA-N 2 1 262.397 2.057 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCOCCc1ccccc1 ZINC000631858788 367595319 /nfs/dbraw/zinc/59/53/19/367595319.db2.gz DMHBKPJIARSTNJ-ZBFHGGJFSA-N 2 1 262.397 2.057 20 0 CEADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)cc2)c1 ZINC000631885714 367608930 /nfs/dbraw/zinc/60/89/30/367608930.db2.gz BJXHCBWLIGEYNM-AEFFLSMTSA-N 2 1 296.418 2.446 20 0 CEADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)c2)c1 ZINC000631891062 367611591 /nfs/dbraw/zinc/61/15/91/367611591.db2.gz VRMBGBOXFUXLER-AEFFLSMTSA-N 2 1 296.418 2.446 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000343063042 367653289 /nfs/dbraw/zinc/65/32/89/367653289.db2.gz GRPIUBMRXFYGBI-RDJZCZTQSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@H]1C[NH+](C)C[C@@H]1NCCC[N@H+](C)Cc1ccccc1 ZINC000343063042 367653296 /nfs/dbraw/zinc/65/32/96/367653296.db2.gz GRPIUBMRXFYGBI-RDJZCZTQSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@H]1C[NH+](C)C[C@@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000343063042 367653301 /nfs/dbraw/zinc/65/33/01/367653301.db2.gz GRPIUBMRXFYGBI-RDJZCZTQSA-N 2 1 275.440 2.048 20 0 CEADMP Cc1ncc([C@@H](C)[N@@H+](C)CC2CC[NH+](C)CC2)c(C)n1 ZINC000682070823 541626953 /nfs/dbraw/zinc/62/69/53/541626953.db2.gz AXROTDWBXQZKLQ-CYBMUJFWSA-N 2 1 276.428 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCn2ccnc2)C[C@@H]1C ZINC000343314853 367751247 /nfs/dbraw/zinc/75/12/47/367751247.db2.gz OORIONIWQWUXAP-GJZGRUSLSA-N 2 1 264.417 2.078 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCn2ccnc2)C[C@@H]1C ZINC000343314853 367751253 /nfs/dbraw/zinc/75/12/53/367751253.db2.gz OORIONIWQWUXAP-GJZGRUSLSA-N 2 1 264.417 2.078 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCn2ccnc2)C[C@@H]1C ZINC000343314853 367751261 /nfs/dbraw/zinc/75/12/61/367751261.db2.gz OORIONIWQWUXAP-GJZGRUSLSA-N 2 1 264.417 2.078 20 0 CEADMP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358063244 370891000 /nfs/dbraw/zinc/89/10/00/370891000.db2.gz OEURVMVHJWMDPQ-GOEBONIOSA-N 2 1 276.424 2.476 20 0 CEADMP COc1ccsc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343612810 367915788 /nfs/dbraw/zinc/91/57/88/367915788.db2.gz JHXVFXNWXCZNEP-RYUDHWBXSA-N 2 1 266.410 2.473 20 0 CEADMP COc1ccsc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000343612810 367915793 /nfs/dbraw/zinc/91/57/93/367915793.db2.gz JHXVFXNWXCZNEP-RYUDHWBXSA-N 2 1 266.410 2.473 20 0 CEADMP C[C@H]1C[NH+](CCOCC[N@@H+]2C[C@H](C)[C@H](C)C2)C[C@H]1C ZINC000343748368 367986068 /nfs/dbraw/zinc/98/60/68/367986068.db2.gz WYGPLNHFRXOLQJ-GEEKYZPCSA-N 2 1 268.445 2.179 20 0 CEADMP C[C@@H](CCO)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000344296372 368118132 /nfs/dbraw/zinc/11/81/32/368118132.db2.gz LXEARWFOSULZGP-RRFJBIMHSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Br)cn2)CC1 ZINC000345169659 368179224 /nfs/dbraw/zinc/17/92/24/368179224.db2.gz GOHLSYRIELCBKA-UHFFFAOYSA-N 2 1 296.212 2.196 20 0 CEADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C)[NH+]1CCCCC1 ZINC000345301785 368227451 /nfs/dbraw/zinc/22/74/51/368227451.db2.gz UGBYPBUVKDJFAY-ARFHVFGLSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000345511288 368306285 /nfs/dbraw/zinc/30/62/85/368306285.db2.gz SMSUJNVRDBDGGU-FPCVCCKLSA-N 2 1 295.471 2.238 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(O)cc1 ZINC000682404629 541660041 /nfs/dbraw/zinc/66/00/41/541660041.db2.gz HHQQTCQHUXJCMR-OIISXLGYSA-N 2 1 290.407 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(O)cc1 ZINC000682404629 541660044 /nfs/dbraw/zinc/66/00/44/541660044.db2.gz HHQQTCQHUXJCMR-OIISXLGYSA-N 2 1 290.407 2.076 20 0 CEADMP C[N@@H+](CCCC(=O)OC(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000181906445 368505851 /nfs/dbraw/zinc/50/58/51/368505851.db2.gz SYWLDPWQVVLRGP-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP C[NH+](CCCC(=O)OC(C)(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC000181906445 368505859 /nfs/dbraw/zinc/50/58/59/368505859.db2.gz SYWLDPWQVVLRGP-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP C[NH+](CCCC(=O)OC(C)(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000181906445 368505864 /nfs/dbraw/zinc/50/58/64/368505864.db2.gz SYWLDPWQVVLRGP-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182248556 368542696 /nfs/dbraw/zinc/54/26/96/368542696.db2.gz ABBGBJBYBKZLCF-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000346172350 368576320 /nfs/dbraw/zinc/57/63/20/368576320.db2.gz ORNNZJCWIMBFNU-QGZVFWFLSA-N 2 1 298.390 2.188 20 0 CEADMP COC[C@@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346209574 368593041 /nfs/dbraw/zinc/59/30/41/368593041.db2.gz VAVODSIMQYAFRR-CQSZACIVSA-N 2 1 286.379 2.044 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000346213945 368594676 /nfs/dbraw/zinc/59/46/76/368594676.db2.gz DPCWREJSNBZYDQ-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000346213945 368594677 /nfs/dbraw/zinc/59/46/77/368594677.db2.gz DPCWREJSNBZYDQ-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000346213945 368594679 /nfs/dbraw/zinc/59/46/79/368594679.db2.gz DPCWREJSNBZYDQ-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)C2CCCCC2)CC1 ZINC000182941034 368601194 /nfs/dbraw/zinc/60/11/94/368601194.db2.gz INESOJJKIVBOHN-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP OCC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000184369226 368689825 /nfs/dbraw/zinc/68/98/25/368689825.db2.gz VVXZFRZOSYDCPL-UHFFFAOYSA-N 2 1 288.435 2.403 20 0 CEADMP C[C@H](CC[NH2+][C@@H](C)c1cnn(C)c1)[NH+]1CCCCC1 ZINC000184509798 368700497 /nfs/dbraw/zinc/70/04/97/368700497.db2.gz WDHHNBYVINUEHO-KGLIPLIRSA-N 2 1 264.417 2.335 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000572713780 299391926 /nfs/dbraw/zinc/39/19/26/299391926.db2.gz CUWYRQWXYKYHMT-JKSUJKDBSA-N 2 1 268.445 2.249 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000346693258 368775511 /nfs/dbraw/zinc/77/55/11/368775511.db2.gz LTSCRTMLEHIHBK-CHWSQXEVSA-N 2 1 288.370 2.181 20 0 CEADMP [NH3+]CCCOC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000346690596 368772991 /nfs/dbraw/zinc/77/29/91/368772991.db2.gz UGFKFMHTPIWQQT-UHFFFAOYSA-N 2 1 295.452 2.350 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000346690261 368773030 /nfs/dbraw/zinc/77/30/30/368773030.db2.gz TWGUPENPTNTZAS-UKRRQHHQSA-N 2 1 298.390 2.438 20 0 CEADMP C[NH2+][C@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000346638229 368745579 /nfs/dbraw/zinc/74/55/79/368745579.db2.gz JFSVGRZGBBIRBE-KRWDZBQOSA-N 2 1 289.467 2.438 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc2c1OCCCO2 ZINC000346692987 368774737 /nfs/dbraw/zinc/77/47/37/368774737.db2.gz KESWJGBSOUSPFC-OLZOCXBDSA-N 2 1 276.380 2.017 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc2c1OCCCO2 ZINC000346692987 368774739 /nfs/dbraw/zinc/77/47/39/368774739.db2.gz KESWJGBSOUSPFC-OLZOCXBDSA-N 2 1 276.380 2.017 20 0 CEADMP C[N@H+](Cc1cnn(C(C)(C)C)c1)CC(C)(C)C[NH3+] ZINC000346642006 368746626 /nfs/dbraw/zinc/74/66/26/368746626.db2.gz BRKYCGJICGKEAY-UHFFFAOYSA-N 2 1 252.406 2.055 20 0 CEADMP C[N@@H+](Cc1cnn(C(C)(C)C)c1)CC(C)(C)C[NH3+] ZINC000346642006 368746628 /nfs/dbraw/zinc/74/66/28/368746628.db2.gz BRKYCGJICGKEAY-UHFFFAOYSA-N 2 1 252.406 2.055 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000346640297 368746790 /nfs/dbraw/zinc/74/67/90/368746790.db2.gz AWMQULCMGXZVNC-INIZCTEOSA-N 2 1 287.411 2.073 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346693111 368774804 /nfs/dbraw/zinc/77/48/04/368774804.db2.gz KVCWHGVOLXCFIU-IPYPFGDCSA-N 2 1 254.418 2.108 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]([NH3+])C1 ZINC000346646807 368749463 /nfs/dbraw/zinc/74/94/63/368749463.db2.gz MRTHUZYTNCTJNX-MRXNPFEDSA-N 2 1 275.440 2.178 20 0 CEADMP COc1cc2c(c(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)c1)O[C@H](C)C2 ZINC000346650630 368751259 /nfs/dbraw/zinc/75/12/59/368751259.db2.gz PTXIBCJHWIWPJN-AGIUHOORSA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(c(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)c1)O[C@H](C)C2 ZINC000346650630 368751265 /nfs/dbraw/zinc/75/12/65/368751265.db2.gz PTXIBCJHWIWPJN-AGIUHOORSA-N 2 1 290.407 2.188 20 0 CEADMP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](C(C)C)C1)[NH+](CC)CC ZINC000347928820 368827458 /nfs/dbraw/zinc/82/74/58/368827458.db2.gz JDDMLRJCIIZFAA-GJZGRUSLSA-N 2 1 283.460 2.096 20 0 CEADMP COCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665301 368838784 /nfs/dbraw/zinc/83/87/84/368838784.db2.gz HLXQQYWRAYMXRA-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP COCc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000634733824 368845739 /nfs/dbraw/zinc/84/57/39/368845739.db2.gz PDSGYYUAHBOXOV-LBPRGKRZSA-N 2 1 266.385 2.294 20 0 CEADMP O[C@@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634636765 368789775 /nfs/dbraw/zinc/78/97/75/368789775.db2.gz JSWORQSFQDFXNW-QGZVFWFLSA-N 2 1 274.408 2.109 20 0 CEADMP O[C@@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634636765 368789778 /nfs/dbraw/zinc/78/97/78/368789778.db2.gz JSWORQSFQDFXNW-QGZVFWFLSA-N 2 1 274.408 2.109 20 0 CEADMP Cc1cc(N2CCC[C@@H](C)[C@H]2CCC[NH3+])nc(C)[nH+]1 ZINC000634811579 368900862 /nfs/dbraw/zinc/90/08/62/368900862.db2.gz JZBSTHGCGVMXKW-BXUZGUMPSA-N 2 1 262.401 2.437 20 0 CEADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000348127444 368909788 /nfs/dbraw/zinc/90/97/88/368909788.db2.gz RYLKOVKRXWIXIB-SQNIBIBYSA-N 2 1 288.435 2.402 20 0 CEADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000348127444 368909791 /nfs/dbraw/zinc/90/97/91/368909791.db2.gz RYLKOVKRXWIXIB-SQNIBIBYSA-N 2 1 288.435 2.402 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000348174427 368934501 /nfs/dbraw/zinc/93/45/01/368934501.db2.gz XOMFOVDVXJQLBM-HUUCEWRRSA-N 2 1 265.401 2.112 20 0 CEADMP CCn1cc(CC[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cn1 ZINC000348313624 368997456 /nfs/dbraw/zinc/99/74/56/368997456.db2.gz AUNPAPDWTWHKBB-HOCLYGCPSA-N 2 1 278.444 2.108 20 0 CEADMP CCn1cc(CC[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cn1 ZINC000348313624 368997462 /nfs/dbraw/zinc/99/74/62/368997462.db2.gz AUNPAPDWTWHKBB-HOCLYGCPSA-N 2 1 278.444 2.108 20 0 CEADMP CCn1cc(CC[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cn1 ZINC000348313624 368997467 /nfs/dbraw/zinc/99/74/67/368997467.db2.gz AUNPAPDWTWHKBB-HOCLYGCPSA-N 2 1 278.444 2.108 20 0 CEADMP CCN(C)C(=O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000186808596 369048011 /nfs/dbraw/zinc/04/80/11/369048011.db2.gz NDPKDDYWOMNGPO-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000635011006 369048225 /nfs/dbraw/zinc/04/82/25/369048225.db2.gz CHYFGNSELQYVQX-BZSNNMDCSA-N 2 1 287.451 2.429 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H]3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000635011006 369048230 /nfs/dbraw/zinc/04/82/30/369048230.db2.gz CHYFGNSELQYVQX-BZSNNMDCSA-N 2 1 287.451 2.429 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@H]2CCC[C@@H]21 ZINC000635010934 369048261 /nfs/dbraw/zinc/04/82/61/369048261.db2.gz OHVMKJNZTMELNI-QYZOEREBSA-N 3 1 299.462 2.295 20 0 CEADMP CN1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@H]2CCC[C@@H]21 ZINC000635010934 369048267 /nfs/dbraw/zinc/04/82/67/369048267.db2.gz OHVMKJNZTMELNI-QYZOEREBSA-N 2 1 299.462 2.295 20 0 CEADMP C[N@@H+]1CC[C@H](NCc2cccc3c2CC[NH2+]C3)[C@H]2CCC[C@@H]21 ZINC000635010934 369048273 /nfs/dbraw/zinc/04/82/73/369048273.db2.gz OHVMKJNZTMELNI-QYZOEREBSA-N 2 1 299.462 2.295 20 0 CEADMP C[N@H+]1CC[C@H](NCc2cccc3c2CC[NH2+]C3)[C@H]2CCC[C@@H]21 ZINC000635010934 369048279 /nfs/dbraw/zinc/04/82/79/369048279.db2.gz OHVMKJNZTMELNI-QYZOEREBSA-N 2 1 299.462 2.295 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1nccs1 ZINC000186736842 369030647 /nfs/dbraw/zinc/03/06/47/369030647.db2.gz CKUUMULXRWXSDK-GRYCIOLGSA-N 2 1 253.415 2.319 20 0 CEADMP COc1c(C)cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC000634999083 369032145 /nfs/dbraw/zinc/03/21/45/369032145.db2.gz PTWIDCKSBGBFNJ-DZGCQCFKSA-N 2 1 262.397 2.339 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000635003943 369040112 /nfs/dbraw/zinc/04/01/12/369040112.db2.gz BZBHPLROQCKWGO-IOASZLSFSA-N 2 1 259.397 2.173 20 0 CEADMP CC[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1nccn1C ZINC000635003552 369040212 /nfs/dbraw/zinc/04/02/12/369040212.db2.gz AJJKBCVJYVECAQ-JKSUJKDBSA-N 2 1 286.423 2.421 20 0 CEADMP N[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2ccccc21 ZINC000635005859 369043122 /nfs/dbraw/zinc/04/31/22/369043122.db2.gz PSGFQLOJXPHJKR-BHTHQVBYSA-N 2 1 259.397 2.238 20 0 CEADMP c1cnc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)ccc2n1 ZINC000634953037 368986203 /nfs/dbraw/zinc/98/62/03/368986203.db2.gz PFMFSXRGOJCAMX-WBVHZDCISA-N 2 1 282.391 2.346 20 0 CEADMP c1cnc2cc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)ccc2n1 ZINC000634953037 368986208 /nfs/dbraw/zinc/98/62/08/368986208.db2.gz PFMFSXRGOJCAMX-WBVHZDCISA-N 2 1 282.391 2.346 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000348297762 368991083 /nfs/dbraw/zinc/99/10/83/368991083.db2.gz CHUXRSWFQFWGKJ-BFYDXBDKSA-N 2 1 275.440 2.047 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000348297762 368991088 /nfs/dbraw/zinc/99/10/88/368991088.db2.gz CHUXRSWFQFWGKJ-BFYDXBDKSA-N 2 1 275.440 2.047 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000635013436 369052877 /nfs/dbraw/zinc/05/28/77/369052877.db2.gz STBYHBOUNBZRGY-WMLDXEAASA-N 2 1 290.455 2.182 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC1(O)CCCCCC1 ZINC000187325854 369139735 /nfs/dbraw/zinc/13/97/35/369139735.db2.gz GSZYNKKDKGAIRE-OAHLLOKOSA-N 2 1 268.445 2.488 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC1(O)CCCCCC1 ZINC000187325854 369139737 /nfs/dbraw/zinc/13/97/37/369139737.db2.gz GSZYNKKDKGAIRE-OAHLLOKOSA-N 2 1 268.445 2.488 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CC1(O)CCCCCC1 ZINC000187325854 369139740 /nfs/dbraw/zinc/13/97/40/369139740.db2.gz GSZYNKKDKGAIRE-OAHLLOKOSA-N 2 1 268.445 2.488 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCC(C)(C)C(=O)OC ZINC000348833239 369173737 /nfs/dbraw/zinc/17/37/37/369173737.db2.gz LQDQCAAXKWMBIU-ZDUSSCGKSA-N 2 1 270.417 2.040 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CCC(C)(C)C(=O)OC ZINC000348833239 369173739 /nfs/dbraw/zinc/17/37/39/369173739.db2.gz LQDQCAAXKWMBIU-ZDUSSCGKSA-N 2 1 270.417 2.040 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000349122583 369245472 /nfs/dbraw/zinc/24/54/72/369245472.db2.gz ZFGMEAUWPFTEGW-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000349122583 369245475 /nfs/dbraw/zinc/24/54/75/369245475.db2.gz ZFGMEAUWPFTEGW-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000349122583 369245476 /nfs/dbraw/zinc/24/54/76/369245476.db2.gz ZFGMEAUWPFTEGW-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC000635660566 369273905 /nfs/dbraw/zinc/27/39/05/369273905.db2.gz ZSHLJRXEZRPAMX-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CC(C)(C)C ZINC000635660566 369273911 /nfs/dbraw/zinc/27/39/11/369273911.db2.gz ZSHLJRXEZRPAMX-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635660566 369273915 /nfs/dbraw/zinc/27/39/15/369273915.db2.gz ZSHLJRXEZRPAMX-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000635739789 369316746 /nfs/dbraw/zinc/31/67/46/369316746.db2.gz DKSPEYZYEPVZBN-CQSZACIVSA-N 2 1 289.423 2.337 20 0 CEADMP Cc1csc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000349664519 369364412 /nfs/dbraw/zinc/36/44/12/369364412.db2.gz MEAUSXAMFHWQIH-WZRBSPASSA-N 2 1 267.442 2.485 20 0 CEADMP Cc1ccc2[nH]c(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc2c1C ZINC000349698764 369373422 /nfs/dbraw/zinc/37/34/22/369373422.db2.gz GEQMORAHVMDTAJ-KRWDZBQOSA-N 2 1 289.423 2.187 20 0 CEADMP CC[N@H+](Cc1nc(-c2ccc(C[NH3+])cc2)no1)C1CC1 ZINC000349858868 369427247 /nfs/dbraw/zinc/42/72/47/369427247.db2.gz YGHDAPCNERGIRN-UHFFFAOYSA-N 2 1 272.352 2.180 20 0 CEADMP CC[N@@H+](Cc1nc(-c2ccc(C[NH3+])cc2)no1)C1CC1 ZINC000349858868 369427251 /nfs/dbraw/zinc/42/72/51/369427251.db2.gz YGHDAPCNERGIRN-UHFFFAOYSA-N 2 1 272.352 2.180 20 0 CEADMP CC(C)OCC[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000349887417 369438109 /nfs/dbraw/zinc/43/81/09/369438109.db2.gz ZFKKOEROADWKDW-DLBZAZTESA-N 2 1 298.471 2.113 20 0 CEADMP C[C@@H]1CC[C@](CO)([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC000189246564 369482736 /nfs/dbraw/zinc/48/27/36/369482736.db2.gz MUIOGEAQANUDKG-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358205581 370950658 /nfs/dbraw/zinc/95/06/58/370950658.db2.gz QWXSYZSCZUYAEF-VNQPRFMTSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358229198 370962735 /nfs/dbraw/zinc/96/27/35/370962735.db2.gz GCYSDQGROPJVSM-HRCADAONSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358229198 370962741 /nfs/dbraw/zinc/96/27/41/370962741.db2.gz GCYSDQGROPJVSM-HRCADAONSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCn2ccnc2)C1 ZINC000246615017 370985237 /nfs/dbraw/zinc/98/52/37/370985237.db2.gz PXTJCYOUKZCSDN-SJORKVTESA-N 2 1 290.455 2.470 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCn2ccnc2)C1 ZINC000246615017 370985239 /nfs/dbraw/zinc/98/52/39/370985239.db2.gz PXTJCYOUKZCSDN-SJORKVTESA-N 2 1 290.455 2.470 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000246615017 370985244 /nfs/dbraw/zinc/98/52/44/370985244.db2.gz PXTJCYOUKZCSDN-SJORKVTESA-N 2 1 290.455 2.470 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000246615017 370985248 /nfs/dbraw/zinc/98/52/48/370985248.db2.gz PXTJCYOUKZCSDN-SJORKVTESA-N 2 1 290.455 2.470 20 0 CEADMP CSc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358260599 370978844 /nfs/dbraw/zinc/97/88/44/370978844.db2.gz VGCVIHIZMUMFPK-DOMZBBRYSA-N 2 1 280.437 2.126 20 0 CEADMP CSc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358260599 370978846 /nfs/dbraw/zinc/97/88/46/370978846.db2.gz VGCVIHIZMUMFPK-DOMZBBRYSA-N 2 1 280.437 2.126 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]1CC(C)(C)C)C1CC1 ZINC000351442496 369635036 /nfs/dbraw/zinc/63/50/36/369635036.db2.gz KYJLISKBWWOVGD-GJZGRUSLSA-N 2 1 268.445 2.342 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1CC(C)(C)C)C1CC1 ZINC000351442496 369635039 /nfs/dbraw/zinc/63/50/39/369635039.db2.gz KYJLISKBWWOVGD-GJZGRUSLSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1CC(C)(C)C)C1CC1 ZINC000351442496 369635042 /nfs/dbraw/zinc/63/50/42/369635042.db2.gz KYJLISKBWWOVGD-GJZGRUSLSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1CC(C)(C)C)C1CC1 ZINC000351442496 369635045 /nfs/dbraw/zinc/63/50/45/369635045.db2.gz KYJLISKBWWOVGD-GJZGRUSLSA-N 2 1 268.445 2.342 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351472547 369636268 /nfs/dbraw/zinc/63/62/68/369636268.db2.gz BBHGGLHMQGYJTH-BFHYXJOUSA-N 2 1 282.391 2.107 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@H]1CCCO1 ZINC000191047591 369670971 /nfs/dbraw/zinc/67/09/71/369670971.db2.gz QBVKQFQZRBXDGN-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@H]1CCCO1 ZINC000191047591 369670979 /nfs/dbraw/zinc/67/09/79/369670979.db2.gz QBVKQFQZRBXDGN-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CC(C)n1nccc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352524512 369772535 /nfs/dbraw/zinc/77/25/35/369772535.db2.gz BLVDGPLYVGUWGJ-ZDUSSCGKSA-N 2 1 250.390 2.167 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352524512 369772541 /nfs/dbraw/zinc/77/25/41/369772541.db2.gz BLVDGPLYVGUWGJ-ZDUSSCGKSA-N 2 1 250.390 2.167 20 0 CEADMP CC[C@]1(CO)CCC[N@H+]1Cc1cccc2nccn21 ZINC000191957740 369756575 /nfs/dbraw/zinc/75/65/75/369756575.db2.gz QZBPTOWEKQRTBV-OAHLLOKOSA-N 2 1 259.353 2.071 20 0 CEADMP Cc1c[nH+]ccc1NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000191978494 369759968 /nfs/dbraw/zinc/75/99/68/369759968.db2.gz DLAXVCWFYIQXQO-QGZVFWFLSA-N 2 1 297.402 2.221 20 0 CEADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000191613150 369726653 /nfs/dbraw/zinc/72/66/53/369726653.db2.gz LYIRCMDZVJDXDJ-KZNAEPCWSA-N 2 1 288.435 2.115 20 0 CEADMP [NH3+]CCC[N@H+](CC(=O)N1CCCCCC1)CC1CCCC1 ZINC000352520255 369771785 /nfs/dbraw/zinc/77/17/85/369771785.db2.gz WQUVDTUVPPLEGA-UHFFFAOYSA-N 2 1 295.471 2.230 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)cn1 ZINC000192487864 369818909 /nfs/dbraw/zinc/81/89/09/369818909.db2.gz ZALFYRVZPNYIEF-SWLSCSKDSA-N 2 1 286.379 2.090 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccnn1C ZINC000192898053 369869142 /nfs/dbraw/zinc/86/91/42/369869142.db2.gz RQQUDOMRFPYKNC-GFCCVEGCSA-N 2 1 261.373 2.056 20 0 CEADMP Cc1cnc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000192905265 369870433 /nfs/dbraw/zinc/87/04/33/369870433.db2.gz MKISTTBZNHUCDF-YOGCLGLASA-N 2 1 251.399 2.166 20 0 CEADMP C[C@H](CC1CC1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352792846 369879948 /nfs/dbraw/zinc/87/99/48/369879948.db2.gz SCBGVSHVERONLE-SNVBAGLBSA-N 2 1 253.415 2.483 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@H]2C)CC1 ZINC000637378600 369923071 /nfs/dbraw/zinc/92/30/71/369923071.db2.gz NZCYWQIBSKBELJ-RBSFLKMASA-N 2 1 295.471 2.046 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000353124147 370027917 /nfs/dbraw/zinc/02/79/17/370027917.db2.gz YDPINTPQTTUQKM-CYBMUJFWSA-N 2 1 296.484 2.169 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000353124147 370027924 /nfs/dbraw/zinc/02/79/24/370027924.db2.gz YDPINTPQTTUQKM-CYBMUJFWSA-N 2 1 296.484 2.169 20 0 CEADMP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000194390814 370034005 /nfs/dbraw/zinc/03/40/05/370034005.db2.gz UOUYGHHKYWLXQZ-OAHLLOKOSA-N 2 1 276.428 2.441 20 0 CEADMP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000194390814 370034007 /nfs/dbraw/zinc/03/40/07/370034007.db2.gz UOUYGHHKYWLXQZ-OAHLLOKOSA-N 2 1 276.428 2.441 20 0 CEADMP COCC[NH+](CCOC)C1CC[NH+](CC2CCCC2)CC1 ZINC000353018497 369983654 /nfs/dbraw/zinc/98/36/54/369983654.db2.gz FBCKABQMMRKFDS-UHFFFAOYSA-N 2 1 298.471 2.236 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1C ZINC000193951688 369994948 /nfs/dbraw/zinc/99/49/48/369994948.db2.gz OTQRJFTUJKKLPJ-OAHLLOKOSA-N 2 1 262.397 2.387 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1C ZINC000193951688 369994955 /nfs/dbraw/zinc/99/49/55/369994955.db2.gz OTQRJFTUJKKLPJ-OAHLLOKOSA-N 2 1 262.397 2.387 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000353650033 370120801 /nfs/dbraw/zinc/12/08/01/370120801.db2.gz PLLULFNFTBHTJQ-GJZGRUSLSA-N 3 1 299.528 2.134 20 0 CEADMP CCN1CC[C@H]([NH2+]CC2(SC)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000353650033 370120803 /nfs/dbraw/zinc/12/08/03/370120803.db2.gz PLLULFNFTBHTJQ-GJZGRUSLSA-N 2 1 299.528 2.134 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[C@H]1C ZINC000353915724 370134188 /nfs/dbraw/zinc/13/41/88/370134188.db2.gz NWVCPSXVVPXMPN-YXWQFLTLSA-N 2 1 294.439 2.038 20 0 CEADMP CCOC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000353940163 370146048 /nfs/dbraw/zinc/14/60/48/370146048.db2.gz BECSBPFANLYSJD-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCC[C@@H]2CCO2)CC1 ZINC000637888833 370148364 /nfs/dbraw/zinc/14/83/64/370148364.db2.gz KKTQVXPHIOAICA-OAHLLOKOSA-N 2 1 254.418 2.360 20 0 CEADMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000354095929 370214835 /nfs/dbraw/zinc/21/48/35/370214835.db2.gz GAQRQVKUVHOWRO-MRXNPFEDSA-N 2 1 290.455 2.201 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000354095929 370214843 /nfs/dbraw/zinc/21/48/43/370214843.db2.gz GAQRQVKUVHOWRO-MRXNPFEDSA-N 2 1 290.455 2.201 20 0 CEADMP Cc1nn(C)c(C)c1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000354095929 370214848 /nfs/dbraw/zinc/21/48/48/370214848.db2.gz GAQRQVKUVHOWRO-MRXNPFEDSA-N 2 1 290.455 2.201 20 0 CEADMP Cc1nn(C)c(C)c1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000354095929 370214853 /nfs/dbraw/zinc/21/48/53/370214853.db2.gz GAQRQVKUVHOWRO-MRXNPFEDSA-N 2 1 290.455 2.201 20 0 CEADMP CC(C)n1nccc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000354124217 370224631 /nfs/dbraw/zinc/22/46/31/370224631.db2.gz IFZNJSSIHMAFCZ-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCCc2ccc(C)nc2)CC1 ZINC000354157859 370238068 /nfs/dbraw/zinc/23/80/68/370238068.db2.gz LDRGBSXYJMGAMY-UHFFFAOYSA-N 2 1 291.439 2.023 20 0 CEADMP COC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000287295024 376200284 /nfs/dbraw/zinc/20/02/84/376200284.db2.gz DJTXUTHHXUEFCR-GXTWGEPZSA-N 2 1 291.395 2.437 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])CCC(C)C)C[C@@H]1C ZINC000638121581 370318660 /nfs/dbraw/zinc/31/86/60/370318660.db2.gz GXQHSHULGCWFPX-KKUMJFAQSA-N 2 1 283.460 2.081 20 0 CEADMP CC(C)CC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000638058805 370273661 /nfs/dbraw/zinc/27/36/61/370273661.db2.gz WOKXNDSJMKOIJH-LSDHHAIUSA-N 2 1 283.460 2.131 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(=O)[nH]c2)C[C@H]1C ZINC000638110713 370306681 /nfs/dbraw/zinc/30/66/81/370306681.db2.gz OWZNSWGYMTWSBE-OCCSQVGLSA-N 2 1 263.385 2.092 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(=O)[nH]c2)C[C@H]1C ZINC000638110713 370306684 /nfs/dbraw/zinc/30/66/84/370306684.db2.gz OWZNSWGYMTWSBE-OCCSQVGLSA-N 2 1 263.385 2.092 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(=O)[nH]c2)C[C@H]1C ZINC000638110713 370306687 /nfs/dbraw/zinc/30/66/87/370306687.db2.gz OWZNSWGYMTWSBE-OCCSQVGLSA-N 2 1 263.385 2.092 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(OC)C2CC2)C1 ZINC000638128283 370323249 /nfs/dbraw/zinc/32/32/49/370323249.db2.gz SDJDASRIHUIFNW-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@](C)(OC)C2CC2)C1 ZINC000638128283 370323252 /nfs/dbraw/zinc/32/32/52/370323252.db2.gz SDJDASRIHUIFNW-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@](C)(OC)C2CC2)C1 ZINC000638128283 370323254 /nfs/dbraw/zinc/32/32/54/370323254.db2.gz SDJDASRIHUIFNW-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227070328 370357825 /nfs/dbraw/zinc/35/78/25/370357825.db2.gz JJYGBHGKIADEMR-LSDHHAIUSA-N 2 1 262.397 2.351 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1C ZINC000354510828 370392578 /nfs/dbraw/zinc/39/25/78/370392578.db2.gz MJCAMLZNKCTWLH-QMIVOQANSA-N 2 1 282.428 2.037 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1C ZINC000354510828 370392582 /nfs/dbraw/zinc/39/25/82/370392582.db2.gz MJCAMLZNKCTWLH-QMIVOQANSA-N 2 1 282.428 2.037 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000354549030 370408382 /nfs/dbraw/zinc/40/83/82/370408382.db2.gz JOWKCUXWSSPSOV-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CCOC[C@H]1CCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000354562307 370411403 /nfs/dbraw/zinc/41/14/03/370411403.db2.gz CLCPQLSPZYDFMH-HUUCEWRRSA-N 2 1 252.402 2.043 20 0 CEADMP CC(C)Cc1ccc(C[NH2+]C[C@](C)(O)CN(C)C)cc1 ZINC000228722774 370411631 /nfs/dbraw/zinc/41/16/31/370411631.db2.gz ZTNCOSNSSQRTDL-KRWDZBQOSA-N 2 1 278.440 2.287 20 0 CEADMP CC(C)Cc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000228722774 370411635 /nfs/dbraw/zinc/41/16/35/370411635.db2.gz ZTNCOSNSSQRTDL-KRWDZBQOSA-N 2 1 278.440 2.287 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)C[C@@H]21 ZINC000230125784 370440404 /nfs/dbraw/zinc/44/04/04/370440404.db2.gz RKBPBXVAQCDNTA-OWCLPIDISA-N 2 1 272.392 2.181 20 0 CEADMP CC(C)C[C@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000354648242 370451241 /nfs/dbraw/zinc/45/12/41/370451241.db2.gz MMNJGBDUJQVEIB-QZTJIDSGSA-N 2 1 290.451 2.473 20 0 CEADMP CC(C)C[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000354648242 370451248 /nfs/dbraw/zinc/45/12/48/370451248.db2.gz MMNJGBDUJQVEIB-QZTJIDSGSA-N 2 1 290.451 2.473 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H](C)C[C@H]1CCCC(=O)N1)[NH+]1CCCC1 ZINC000638353352 370463126 /nfs/dbraw/zinc/46/31/26/370463126.db2.gz RPRXWXKOPFNYIS-OAGGEKHMSA-N 2 1 295.471 2.144 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]CC2CCSCC2)CC1 ZINC000638360922 370470923 /nfs/dbraw/zinc/47/09/23/370470923.db2.gz WXZSIVSHDACYEK-UHFFFAOYSA-N 2 1 299.528 2.137 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000355101927 370501222 /nfs/dbraw/zinc/50/12/22/370501222.db2.gz IIVGYODKFIHVOP-OWCLPIDISA-N 2 1 295.471 2.132 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CC3CCCC3)CC[C@@H]21 ZINC000232145256 370501567 /nfs/dbraw/zinc/50/15/67/370501567.db2.gz FFEYVOKPSSHPLQ-IKGGRYGDSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)CC3CCCC3)CC[C@@H]21 ZINC000232145256 370501572 /nfs/dbraw/zinc/50/15/72/370501572.db2.gz FFEYVOKPSSHPLQ-IKGGRYGDSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)CC3CCCC3)CC[C@@H]21 ZINC000232145256 370501577 /nfs/dbraw/zinc/50/15/77/370501577.db2.gz FFEYVOKPSSHPLQ-IKGGRYGDSA-N 2 1 280.456 2.344 20 0 CEADMP Cc1cc[nH+]c(NC2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638398229 370499294 /nfs/dbraw/zinc/49/92/94/370499294.db2.gz SUOPGHCLXWTIIU-UHFFFAOYSA-N 2 1 263.385 2.037 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@](C)(OC)C2CC2)C1 ZINC000638450186 370537991 /nfs/dbraw/zinc/53/79/91/370537991.db2.gz AVUWRWSQELWHJX-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCCOc2ccc(F)cc21)C1C[NH2+]C1 ZINC000335026007 296163354 /nfs/dbraw/zinc/16/33/54/296163354.db2.gz XWKWHSKXQHVXDT-YGRLFVJLSA-N 2 1 264.344 2.237 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638589087 370622544 /nfs/dbraw/zinc/62/25/44/370622544.db2.gz QTIXHMGBRQUFGB-HRCADAONSA-N 2 1 295.471 2.288 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638589087 370622550 /nfs/dbraw/zinc/62/25/50/370622550.db2.gz QTIXHMGBRQUFGB-HRCADAONSA-N 2 1 295.471 2.288 20 0 CEADMP CO[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CC(C)C ZINC000639117368 370993094 /nfs/dbraw/zinc/99/30/94/370993094.db2.gz HUELZLPMTQQRDR-HZPDHXFCSA-N 2 1 286.460 2.138 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)[C@H](C)C1 ZINC000358291021 370995720 /nfs/dbraw/zinc/99/57/20/370995720.db2.gz FQVQFHFKMMZPNM-KFWWJZLASA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)C1 ZINC000638566719 370609050 /nfs/dbraw/zinc/60/90/50/370609050.db2.gz OEJIPZWGHPOXPN-PMPSAXMXSA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@@H]1COCC[NH+]1CCCCC[N@@H+]1CCOC[C@H]1CC ZINC000246837955 371018843 /nfs/dbraw/zinc/01/88/43/371018843.db2.gz CFDAPVGNTZDARY-IAGOWNOFSA-N 2 1 298.471 2.378 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)OC ZINC000639170321 371042569 /nfs/dbraw/zinc/04/25/69/371042569.db2.gz SVDHYBJDZHICES-SOUVJXGZSA-N 2 1 256.434 2.367 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccn1 ZINC000639170581 371042615 /nfs/dbraw/zinc/04/26/15/371042615.db2.gz VGTRNVIZURBZNO-GDBMZVCRSA-N 2 1 291.439 2.341 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(=O)[nH]c1 ZINC000639177356 371055188 /nfs/dbraw/zinc/05/51/88/371055188.db2.gz SJHKNLHFZRUNLM-UHFFFAOYSA-N 2 1 288.395 2.458 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(=O)[nH]c1 ZINC000639177356 371055192 /nfs/dbraw/zinc/05/51/92/371055192.db2.gz SJHKNLHFZRUNLM-UHFFFAOYSA-N 2 1 288.395 2.458 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)OC ZINC000639208523 371097562 /nfs/dbraw/zinc/09/75/62/371097562.db2.gz XDCLFAIVCKQFHN-JYJNAYRXSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)OC ZINC000639208523 371097564 /nfs/dbraw/zinc/09/75/64/371097564.db2.gz XDCLFAIVCKQFHN-JYJNAYRXSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)OC ZINC000639208523 371097566 /nfs/dbraw/zinc/09/75/66/371097566.db2.gz XDCLFAIVCKQFHN-JYJNAYRXSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@H](CC(C)C)C[N@@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000639180705 371060200 /nfs/dbraw/zinc/06/02/00/371060200.db2.gz XJPCFEDWDJRVNG-ZNMIVQPWSA-N 2 1 256.434 2.320 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000639180705 371060204 /nfs/dbraw/zinc/06/02/04/371060204.db2.gz XJPCFEDWDJRVNG-ZNMIVQPWSA-N 2 1 256.434 2.320 20 0 CEADMP CO[C@H](CC(C)C)C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000639180705 371060207 /nfs/dbraw/zinc/06/02/07/371060207.db2.gz XJPCFEDWDJRVNG-ZNMIVQPWSA-N 2 1 256.434 2.320 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000639180705 371060213 /nfs/dbraw/zinc/06/02/13/371060213.db2.gz XJPCFEDWDJRVNG-ZNMIVQPWSA-N 2 1 256.434 2.320 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000639180705 371060215 /nfs/dbraw/zinc/06/02/15/371060215.db2.gz XJPCFEDWDJRVNG-ZNMIVQPWSA-N 2 1 256.434 2.320 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000639258139 371157601 /nfs/dbraw/zinc/15/76/01/371157601.db2.gz ZYZHVGGCZQZZQH-LBPRGKRZSA-N 2 1 263.385 2.374 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3)CC[C@H]21 ZINC000247979210 371152435 /nfs/dbraw/zinc/15/24/35/371152435.db2.gz IDMNFQXGIBLQCN-DOTOQJQBSA-N 2 1 274.408 2.482 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccccc3)CC[C@H]21 ZINC000247979210 371152439 /nfs/dbraw/zinc/15/24/39/371152439.db2.gz IDMNFQXGIBLQCN-DOTOQJQBSA-N 2 1 274.408 2.482 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccccc3)CC[C@H]21 ZINC000247979210 371152442 /nfs/dbraw/zinc/15/24/42/371152442.db2.gz IDMNFQXGIBLQCN-DOTOQJQBSA-N 2 1 274.408 2.482 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3nccs3)CC2)CC[N@@H+]1C ZINC000358648337 371155056 /nfs/dbraw/zinc/15/50/56/371155056.db2.gz IMSHFDABIWWQDA-GXTWGEPZSA-N 2 1 294.468 2.184 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3nccs3)CC2)CC[N@H+]1C ZINC000358648337 371155061 /nfs/dbraw/zinc/15/50/61/371155061.db2.gz IMSHFDABIWWQDA-GXTWGEPZSA-N 2 1 294.468 2.184 20 0 CEADMP CO[C@@](C)(C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000639257152 371156966 /nfs/dbraw/zinc/15/69/66/371156966.db2.gz JQEAPXQOXMFSDW-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)sn1 ZINC000639346181 371258200 /nfs/dbraw/zinc/25/82/00/371258200.db2.gz DHTBNEQEOWDIAY-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)sn1 ZINC000639346181 371258202 /nfs/dbraw/zinc/25/82/02/371258202.db2.gz DHTBNEQEOWDIAY-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP CC[C@@]1(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000248712212 371236982 /nfs/dbraw/zinc/23/69/82/371236982.db2.gz JOSWAJYAWXJSOT-WBVHZDCISA-N 2 1 295.471 2.147 20 0 CEADMP CNC(=O)[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000358825978 371238282 /nfs/dbraw/zinc/23/82/82/371238282.db2.gz LVHODGPUAMKLKR-INIZCTEOSA-N 2 1 295.471 2.144 20 0 CEADMP COCC1(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)CCC1 ZINC000639348067 371261100 /nfs/dbraw/zinc/26/11/00/371261100.db2.gz SVPAGSMDPOVPHT-CQSZACIVSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCOC[C@@H]1C ZINC000248831372 371251182 /nfs/dbraw/zinc/25/11/82/371251182.db2.gz FHSOMOXRSNFPGS-QRJUGERDSA-N 2 1 268.445 2.367 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCOC[C@@H]1C ZINC000248831372 371251185 /nfs/dbraw/zinc/25/11/85/371251185.db2.gz FHSOMOXRSNFPGS-QRJUGERDSA-N 2 1 268.445 2.367 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](CC2=CCCOC2)CC1 ZINC000639380287 371289374 /nfs/dbraw/zinc/28/93/74/371289374.db2.gz WRGNMMDWVZKYLW-UHFFFAOYSA-N 2 1 252.402 2.139 20 0 CEADMP Cc1cc2[nH]c(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc2c(C)c1 ZINC000359019046 371305318 /nfs/dbraw/zinc/30/53/18/371305318.db2.gz PDAGJRWWAAREGI-KRWDZBQOSA-N 2 1 289.423 2.187 20 0 CEADMP COCc1ccc(C[N@@H+](C)[C@@H]2CN3CCC2CC3)cc1 ZINC000639395539 371306379 /nfs/dbraw/zinc/30/63/79/371306379.db2.gz BOSJAFFBRWAYBS-QGZVFWFLSA-N 2 1 274.408 2.359 20 0 CEADMP COCc1ccc(CN(C)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000639395539 371306387 /nfs/dbraw/zinc/30/63/87/371306387.db2.gz BOSJAFFBRWAYBS-QGZVFWFLSA-N 2 1 274.408 2.359 20 0 CEADMP CCC[C@@H]1CNCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000359050460 371319674 /nfs/dbraw/zinc/31/96/74/371319674.db2.gz CNVJKBAOMFXBQK-QGZVFWFLSA-N 2 1 284.407 2.446 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250569212 371386700 /nfs/dbraw/zinc/38/67/00/371386700.db2.gz DSTFCLDZWMEXRL-HOTGVXAUSA-N 2 1 274.408 2.454 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(C)(C)CO2)[C@H](C)C1 ZINC000639533736 371390205 /nfs/dbraw/zinc/39/02/05/371390205.db2.gz QEHFHUKDVGMIQI-ILXRZTDVSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC(C)(C)CO2)[C@H](C)C1 ZINC000639533736 371390207 /nfs/dbraw/zinc/39/02/07/371390207.db2.gz QEHFHUKDVGMIQI-ILXRZTDVSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC(C)(C)CO2)[C@H](C)C1 ZINC000639533736 371390208 /nfs/dbraw/zinc/39/02/08/371390208.db2.gz QEHFHUKDVGMIQI-ILXRZTDVSA-N 2 1 268.445 2.464 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000251376849 371400703 /nfs/dbraw/zinc/40/07/03/371400703.db2.gz YHJBINXNCCSCMV-ILXRZTDVSA-N 2 1 254.418 2.121 20 0 CEADMP CC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000639558102 371406879 /nfs/dbraw/zinc/40/68/79/371406879.db2.gz CCNCQCNHWAXQRF-UHFFFAOYSA-N 2 1 275.396 2.209 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC(C)(C)CO2)CC[N@@H+]1C ZINC000639509896 371372513 /nfs/dbraw/zinc/37/25/13/371372513.db2.gz PJTWNENBTHJBOH-RDBSUJKOSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC(C)(C)CO2)CC[N@H+]1C ZINC000639509896 371372520 /nfs/dbraw/zinc/37/25/20/371372520.db2.gz PJTWNENBTHJBOH-RDBSUJKOSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC(C)(C)CO2)CC[NH+]1C ZINC000639509896 371372528 /nfs/dbraw/zinc/37/25/28/371372528.db2.gz PJTWNENBTHJBOH-RDBSUJKOSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC(C)(C)CO2)CC[NH+]1C ZINC000639509896 371372533 /nfs/dbraw/zinc/37/25/33/371372533.db2.gz PJTWNENBTHJBOH-RDBSUJKOSA-N 2 1 254.418 2.216 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000250268118 371380923 /nfs/dbraw/zinc/38/09/23/371380923.db2.gz LCHKHSIAVPJOMA-NEPJUHHUSA-N 2 1 265.426 2.422 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000250268118 371380928 /nfs/dbraw/zinc/38/09/28/371380928.db2.gz LCHKHSIAVPJOMA-NEPJUHHUSA-N 2 1 265.426 2.422 20 0 CEADMP COC1(C[NH2+]CC2([NH+](C)C)CCOCC2)CCCCC1 ZINC000359745121 371482979 /nfs/dbraw/zinc/48/29/79/371482979.db2.gz KIECVBQWTQNACF-UHFFFAOYSA-N 2 1 284.444 2.036 20 0 CEADMP Cc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000252854991 371484174 /nfs/dbraw/zinc/48/41/74/371484174.db2.gz JYRREUKVWKXBFD-RWMBFGLXSA-N 2 1 265.426 2.319 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(OC)c1 ZINC000252854106 371484438 /nfs/dbraw/zinc/48/44/38/371484438.db2.gz JNLHHPPMYBOMMF-RCBQFDQVSA-N 2 1 290.407 2.263 20 0 CEADMP CCCC(CCC)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252553328 371456559 /nfs/dbraw/zinc/45/65/59/371456559.db2.gz QZMSHCQTYQNVAF-GJZGRUSLSA-N 2 1 254.418 2.408 20 0 CEADMP CCCC(CCC)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252553328 371456563 /nfs/dbraw/zinc/45/65/63/371456563.db2.gz QZMSHCQTYQNVAF-GJZGRUSLSA-N 2 1 254.418 2.408 20 0 CEADMP CCCC(CCC)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252553330 371456734 /nfs/dbraw/zinc/45/67/34/371456734.db2.gz QZMSHCQTYQNVAF-LSDHHAIUSA-N 2 1 254.418 2.408 20 0 CEADMP CCCC(CCC)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252553330 371456737 /nfs/dbraw/zinc/45/67/37/371456737.db2.gz QZMSHCQTYQNVAF-LSDHHAIUSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@@H+](C[C@H]1CC(C)(C)CO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639644094 371462242 /nfs/dbraw/zinc/46/22/42/371462242.db2.gz SVUAUSVMLAVQSG-IZGVIRRGSA-N 2 1 266.429 2.359 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000359517708 371466618 /nfs/dbraw/zinc/46/66/18/371466618.db2.gz OSGVWDXLPLVDFL-GXTWGEPZSA-N 2 1 267.461 2.225 20 0 CEADMP CCN1C[C@H](C)[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000359517708 371466621 /nfs/dbraw/zinc/46/66/21/371466621.db2.gz OSGVWDXLPLVDFL-GXTWGEPZSA-N 2 1 267.461 2.225 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000252711048 371470880 /nfs/dbraw/zinc/47/08/80/371470880.db2.gz IJOMJBMTGKDSQX-IJEWVQPXSA-N 2 1 274.408 2.483 20 0 CEADMP CCn1nc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c2ccccc21 ZINC000252792421 371479502 /nfs/dbraw/zinc/47/95/02/371479502.db2.gz VMKYNOJJYOVVCE-QWHCGFSZSA-N 2 1 272.396 2.225 20 0 CEADMP CCn1nc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c2ccccc21 ZINC000252792421 371479506 /nfs/dbraw/zinc/47/95/06/371479506.db2.gz VMKYNOJJYOVVCE-QWHCGFSZSA-N 2 1 272.396 2.225 20 0 CEADMP C[C@@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000253246238 371505045 /nfs/dbraw/zinc/50/50/45/371505045.db2.gz RQIPDHQEDMCOOS-CZUORRHYSA-N 2 1 274.408 2.081 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cncs3)C2)CC1 ZINC000639754468 371544382 /nfs/dbraw/zinc/54/43/82/371544382.db2.gz ACHHAMUGXGAXKN-UHFFFAOYSA-N 2 1 251.399 2.061 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759849 371548014 /nfs/dbraw/zinc/54/80/14/371548014.db2.gz LPMASBKCKCRBJX-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)c1nnc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC000639757790 371548957 /nfs/dbraw/zinc/54/89/57/371548957.db2.gz LJTCPTSCXPRLCK-UHFFFAOYSA-N 2 1 278.400 2.111 20 0 CEADMP CC(C)c1nnc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC000639757790 371548958 /nfs/dbraw/zinc/54/89/58/371548958.db2.gz LJTCPTSCXPRLCK-UHFFFAOYSA-N 2 1 278.400 2.111 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000360964154 371565559 /nfs/dbraw/zinc/56/55/59/371565559.db2.gz NGXNDXQKFKWKTG-UHFFFAOYSA-N 2 1 266.433 2.450 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C(C)C)nc2C)C1 ZINC000360988259 371583073 /nfs/dbraw/zinc/58/30/73/371583073.db2.gz XWCIGZPVKZYNTH-AWEZNQCLSA-N 2 1 264.417 2.204 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C(C)C)nc2C)C1 ZINC000360988259 371583081 /nfs/dbraw/zinc/58/30/81/371583081.db2.gz XWCIGZPVKZYNTH-AWEZNQCLSA-N 2 1 264.417 2.204 20 0 CEADMP CCn1nc(C)c(C[N@H+](C)CCCc2c[nH+]cn2C)c1C ZINC000639924511 371673073 /nfs/dbraw/zinc/67/30/73/371673073.db2.gz HSQDTKRXRCVEMR-UHFFFAOYSA-N 2 1 289.427 2.318 20 0 CEADMP CCn1nc(C)c(C[N@@H+](C)CCCc2c[nH+]cn2C)c1C ZINC000639924511 371673078 /nfs/dbraw/zinc/67/30/78/371673078.db2.gz HSQDTKRXRCVEMR-UHFFFAOYSA-N 2 1 289.427 2.318 20 0 CEADMP COc1ccccc1CC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000259132419 371622908 /nfs/dbraw/zinc/62/29/08/371622908.db2.gz WQEJNJZTPLBVPG-AWEZNQCLSA-N 2 1 262.397 2.169 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000261554105 371643541 /nfs/dbraw/zinc/64/35/41/371643541.db2.gz ARVIMHBDEIHZPI-AWEZNQCLSA-N 2 1 268.788 2.390 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000261614005 371680065 /nfs/dbraw/zinc/68/00/65/371680065.db2.gz BOXPKXVEQNCVTR-HNNXBMFYSA-N 2 1 254.418 2.397 20 0 CEADMP CCCO[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261753082 371720548 /nfs/dbraw/zinc/72/05/48/371720548.db2.gz KFLDQESYPSPHEW-LSDHHAIUSA-N 2 1 254.418 2.267 20 0 CEADMP c1ccc2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000261760829 371724276 /nfs/dbraw/zinc/72/42/76/371724276.db2.gz NQNMELUUNOJHDW-LSDHHAIUSA-N 2 1 267.376 2.276 20 0 CEADMP c1ccc2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000261760829 371724279 /nfs/dbraw/zinc/72/42/79/371724279.db2.gz NQNMELUUNOJHDW-LSDHHAIUSA-N 2 1 267.376 2.276 20 0 CEADMP c1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc2c1CCC2 ZINC000261619147 371681182 /nfs/dbraw/zinc/68/11/82/371681182.db2.gz ULFNHCVVEOZHDM-IAGOWNOFSA-N 2 1 256.393 2.359 20 0 CEADMP CC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCOC1 ZINC000361175231 371699412 /nfs/dbraw/zinc/69/94/12/371699412.db2.gz MYOBQMIQRKGFKF-CVEARBPZSA-N 2 1 296.455 2.036 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261829462 371743995 /nfs/dbraw/zinc/74/39/95/371743995.db2.gz IXNUNVRPDRYLOW-GXTWGEPZSA-N 2 1 262.397 2.427 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261850965 371749665 /nfs/dbraw/zinc/74/96/65/371749665.db2.gz MYKMXSPHWATFKB-HOTGVXAUSA-N 2 1 295.471 2.147 20 0 CEADMP CC[C@@]1(O)CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000640031488 371754849 /nfs/dbraw/zinc/75/48/49/371754849.db2.gz TZRNNUWEMHOUIO-HUUCEWRRSA-N 2 1 254.418 2.098 20 0 CEADMP FC(F)Oc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261874996 371756580 /nfs/dbraw/zinc/75/65/80/371756580.db2.gz ZMNDNAJKVUUYTI-OAHLLOKOSA-N 2 1 282.334 2.473 20 0 CEADMP FC(F)Oc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261874996 371756589 /nfs/dbraw/zinc/75/65/89/371756589.db2.gz ZMNDNAJKVUUYTI-OAHLLOKOSA-N 2 1 282.334 2.473 20 0 CEADMP C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261930567 371774686 /nfs/dbraw/zinc/77/46/86/371774686.db2.gz LMMPYUFIUUZWSJ-XJKSGUPXSA-N 2 1 259.397 2.464 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000262156169 371831200 /nfs/dbraw/zinc/83/12/00/371831200.db2.gz SRIBZPFXSPXZPS-BBRMVZONSA-N 2 1 283.460 2.131 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)C[C@@]2(C)CC[NH2+]C2)c1C ZINC000262002452 371797755 /nfs/dbraw/zinc/79/77/55/371797755.db2.gz LLGNIMXCPJCFGE-INIZCTEOSA-N 2 1 277.412 2.138 20 0 CEADMP CCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC1CCCCC1 ZINC000262180176 371834007 /nfs/dbraw/zinc/83/40/07/371834007.db2.gz QZMZIUDMQMDSGA-UHFFFAOYSA-N 2 1 295.471 2.101 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000262035670 371804988 /nfs/dbraw/zinc/80/49/88/371804988.db2.gz XQCZZIGWTHTAHL-WBMJQRKESA-N 2 1 299.422 2.053 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000262035670 371804999 /nfs/dbraw/zinc/80/49/99/371804999.db2.gz XQCZZIGWTHTAHL-WBMJQRKESA-N 2 1 299.422 2.053 20 0 CEADMP COCC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CC[C@@H](C)C1 ZINC000262072918 371817177 /nfs/dbraw/zinc/81/71/77/371817177.db2.gz SFYUPTYDOFUXHK-RBSFLKMASA-N 2 1 254.418 2.123 20 0 CEADMP COCC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CC[C@H](C)C1 ZINC000262072919 371817947 /nfs/dbraw/zinc/81/79/47/371817947.db2.gz SFYUPTYDOFUXHK-RRFJBIMHSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000361398314 371828503 /nfs/dbraw/zinc/82/85/03/371828503.db2.gz SEZYBRZUANOTRR-GASCZTMLSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262540394 371874243 /nfs/dbraw/zinc/87/42/43/371874243.db2.gz QZFGHTUQBXLJRE-OAHLLOKOSA-N 2 1 299.418 2.221 20 0 CEADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000262187486 371835804 /nfs/dbraw/zinc/83/58/04/371835804.db2.gz XYCDGAPSEXJWKW-IXDOHACOSA-N 2 1 279.472 2.182 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CSC)[C@H](C)C1 ZINC000361523882 371897781 /nfs/dbraw/zinc/89/77/81/371897781.db2.gz HDBLLASMYHWPJH-ILXRZTDVSA-N 2 1 288.501 2.465 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263201395 371931334 /nfs/dbraw/zinc/93/13/34/371931334.db2.gz JBUCZXFVYXUBMY-UXLLHSPISA-N 2 1 295.471 2.227 20 0 CEADMP O[C@]12C[C@H]1C[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000640488638 372007603 /nfs/dbraw/zinc/00/76/03/372007603.db2.gz VFCGPNXNAOOPOU-ROUUACIJSA-N 2 1 286.419 2.239 20 0 CEADMP Cc1cc[nH+]c(N2CCC(OCCC[NH+](C)C)CC2)c1 ZINC000268292207 372091757 /nfs/dbraw/zinc/09/17/57/372091757.db2.gz DXOOBPFBEPDNLS-UHFFFAOYSA-N 2 1 277.412 2.327 20 0 CEADMP COC1CCC(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000361925439 372132449 /nfs/dbraw/zinc/13/24/49/372132449.db2.gz ORCUDGAVVLCOBS-JLVJUDLZSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@@H+]1C[C@H]2CN(Cc3nccc4ccccc43)C[C@H]2C1 ZINC000683843543 541869573 /nfs/dbraw/zinc/86/95/73/541869573.db2.gz BFOMDVHNNCFHIF-GASCZTMLSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3nccc4ccccc43)C[C@@H]2C1 ZINC000683843543 541869587 /nfs/dbraw/zinc/86/95/87/541869587.db2.gz BFOMDVHNNCFHIF-GASCZTMLSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3nccc4ccccc43)C[C@@H]2C1 ZINC000683843543 541869593 /nfs/dbraw/zinc/86/95/93/541869593.db2.gz BFOMDVHNNCFHIF-GASCZTMLSA-N 2 1 267.376 2.228 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCC[C@H](C)C2)C[C@H]1C ZINC000362178929 372258847 /nfs/dbraw/zinc/25/88/47/372258847.db2.gz DIXOWCKZOOWTAG-XHSDSOJGSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000268920007 372287508 /nfs/dbraw/zinc/28/75/08/372287508.db2.gz UGIPKUIPQNOJLW-CQSZACIVSA-N 2 1 294.443 2.208 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(c2cc(CO)ccn2)CC1 ZINC000641306557 372442196 /nfs/dbraw/zinc/44/21/96/372442196.db2.gz VHWTVBASWFQGGY-UHFFFAOYSA-N 2 1 277.412 2.131 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)OC ZINC000362977146 372602101 /nfs/dbraw/zinc/60/21/01/372602101.db2.gz PAWQDKGGXLURPN-SWLSCSKDSA-N 2 1 254.418 2.264 20 0 CEADMP CCc1noc(C2CCC([NH2+][C@@H]3C[NH2+]CC[C@H]3C)CC2)n1 ZINC000333103120 205032596 /nfs/dbraw/zinc/03/25/96/205032596.db2.gz FCVMTSAXZHTXIS-BLYZHGLHSA-N 2 1 292.427 2.246 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnc(C)s2)[C@@H](C)C1 ZINC000344528172 217222818 /nfs/dbraw/zinc/22/28/18/217222818.db2.gz BJPWTECZRSAGQY-GWCFXTLKSA-N 2 1 253.415 2.271 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnc(C)s2)[C@@H](C)C1 ZINC000344528172 217222820 /nfs/dbraw/zinc/22/28/20/217222820.db2.gz BJPWTECZRSAGQY-GWCFXTLKSA-N 2 1 253.415 2.271 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)o1 ZINC000641799575 372740532 /nfs/dbraw/zinc/74/05/32/372740532.db2.gz XMFGTKPMKVSLOE-PWSUYJOCSA-N 2 1 251.374 2.105 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000641798627 372740634 /nfs/dbraw/zinc/74/06/34/372740634.db2.gz OUXNKEVSBTUWBL-GHMZBOCLSA-N 2 1 261.394 2.465 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000641798627 372740636 /nfs/dbraw/zinc/74/06/36/372740636.db2.gz OUXNKEVSBTUWBL-GHMZBOCLSA-N 2 1 261.394 2.465 20 0 CEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000641800825 372743815 /nfs/dbraw/zinc/74/38/15/372743815.db2.gz GPHJLCAWYQHIAC-QWRGUYRKSA-N 2 1 284.201 2.060 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000641801517 372743887 /nfs/dbraw/zinc/74/38/87/372743887.db2.gz ROXAKAWHEHDCOT-VXGBXAGGSA-N 2 1 299.777 2.133 20 0 CEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000641802762 372746724 /nfs/dbraw/zinc/74/67/24/372746724.db2.gz OMIXHPFCBSXTDF-RYUDHWBXSA-N 2 1 299.777 2.133 20 0 CEADMP CC(C)N(C(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641804419 372750177 /nfs/dbraw/zinc/75/01/77/372750177.db2.gz IOPYZRBVHONISC-GJZGRUSLSA-N 2 1 289.423 2.143 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000641803920 372750456 /nfs/dbraw/zinc/75/04/56/372750456.db2.gz FYWWUCRURFTETG-NEPJUHHUSA-N 2 1 299.777 2.133 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c(C)c1 ZINC000641807123 372754992 /nfs/dbraw/zinc/75/49/92/372754992.db2.gz QRWMEZUBCLLKSX-QEJZJMRPSA-N 2 1 289.423 2.346 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1C ZINC000641809293 372756726 /nfs/dbraw/zinc/75/67/26/372756726.db2.gz VTTZPDHMPYDGLF-NWANDNLSSA-N 2 1 289.423 2.346 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000641823580 372766819 /nfs/dbraw/zinc/76/68/19/372766819.db2.gz SENRLMOOFIRMFP-KOLCDFICSA-N 2 1 284.306 2.320 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000641823580 372766825 /nfs/dbraw/zinc/76/68/25/372766825.db2.gz SENRLMOOFIRMFP-KOLCDFICSA-N 2 1 284.306 2.320 20 0 CEADMP CCc1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000641823658 372767300 /nfs/dbraw/zinc/76/73/00/372767300.db2.gz UAXABKCSAGHODG-WFASDCNBSA-N 2 1 263.385 2.106 20 0 CEADMP CCc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000641823658 372767306 /nfs/dbraw/zinc/76/73/06/372767306.db2.gz UAXABKCSAGHODG-WFASDCNBSA-N 2 1 263.385 2.106 20 0 CEADMP Cc1csc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000333181631 205097514 /nfs/dbraw/zinc/09/75/14/205097514.db2.gz SBRDLGAXOBHAJA-DZGCQCFKSA-N 2 1 295.452 2.170 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000333190580 205103397 /nfs/dbraw/zinc/10/33/97/205103397.db2.gz UWKWLJQDSPZAJQ-WCVJEAGWSA-N 3 1 267.461 2.404 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(O)c1 ZINC000270572167 372848121 /nfs/dbraw/zinc/84/81/21/372848121.db2.gz BCDIPHYRFWUBQT-UHFFFAOYSA-N 2 1 259.353 2.419 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(O)c1 ZINC000270572167 372848128 /nfs/dbraw/zinc/84/81/28/372848128.db2.gz BCDIPHYRFWUBQT-UHFFFAOYSA-N 2 1 259.353 2.419 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccco1 ZINC000353456730 220094182 /nfs/dbraw/zinc/09/41/82/220094182.db2.gz WSNITJZGEKSUQN-LVQVYYBASA-N 2 1 291.439 2.345 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccccn3)C2)CC1 ZINC000270530669 372828555 /nfs/dbraw/zinc/82/85/55/372828555.db2.gz VLLLYEXKFKAXDS-HNNXBMFYSA-N 2 1 259.397 2.245 20 0 CEADMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1O ZINC000270594399 372858674 /nfs/dbraw/zinc/85/86/74/372858674.db2.gz FPJSOIOCIBGHKS-UHFFFAOYSA-N 2 1 289.379 2.428 20 0 CEADMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1O ZINC000270594399 372858681 /nfs/dbraw/zinc/85/86/81/372858681.db2.gz FPJSOIOCIBGHKS-UHFFFAOYSA-N 2 1 289.379 2.428 20 0 CEADMP CCC(CC)(CC(=O)OC)[NH2+]CCCn1cc[nH+]c1C ZINC000270677823 372897941 /nfs/dbraw/zinc/89/79/41/372897941.db2.gz UAJISBMCOFDBHB-UHFFFAOYSA-N 2 1 281.400 2.293 20 0 CEADMP CCc1nc([C@H]2CCCC[N@@H+]2CC[C@H]2CC[NH2+]C2)no1 ZINC000643057578 372938568 /nfs/dbraw/zinc/93/85/68/372938568.db2.gz VFYPGLJNENFCMV-CHWSQXEVSA-N 2 1 278.400 2.159 20 0 CEADMP CCc1nc([C@H]2CCCC[N@H+]2CC[C@H]2CC[NH2+]C2)no1 ZINC000643057578 372938574 /nfs/dbraw/zinc/93/85/74/372938574.db2.gz VFYPGLJNENFCMV-CHWSQXEVSA-N 2 1 278.400 2.159 20 0 CEADMP Cc1cc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cn2cc[nH+]c12 ZINC000333356396 205248638 /nfs/dbraw/zinc/24/86/38/205248638.db2.gz SCGIPNXOQAIIHB-RYUDHWBXSA-N 2 1 287.367 2.034 20 0 CEADMP CN(C[C@@H]1CCC[N@H+]1C)c1cc[nH+]c2c(O)cccc12 ZINC000643197888 372965119 /nfs/dbraw/zinc/96/51/19/372965119.db2.gz RDVDMEBDJLRICK-LBPRGKRZSA-N 2 1 271.364 2.471 20 0 CEADMP CN(C(=[NH2+])NC[C@@H]1CCC[N@H+]1C1CCCCC1)C1CC1 ZINC000366615638 373091820 /nfs/dbraw/zinc/09/18/20/373091820.db2.gz CBPGRVMZJYUPJD-HNNXBMFYSA-N 2 1 278.444 2.402 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccnn1C ZINC000643484233 373151631 /nfs/dbraw/zinc/15/16/31/373151631.db2.gz JXFBIRNJTWEVOB-RBSFLKMASA-N 2 1 278.444 2.280 20 0 CEADMP CCC1(CC)[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C[C@H]1OC ZINC000643501762 373159100 /nfs/dbraw/zinc/15/91/00/373159100.db2.gz PIOVZDLRCOUCQI-MGPQQGTHSA-N 2 1 254.418 2.312 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C12CCC2 ZINC000643501836 373159167 /nfs/dbraw/zinc/15/91/67/373159167.db2.gz QYEKCQDNMRJLQA-HZSPNIEDSA-N 2 1 252.402 2.066 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000353560794 220157953 /nfs/dbraw/zinc/15/79/53/220157953.db2.gz IWMMUDBBAXQMML-MRXNPFEDSA-N 2 1 283.460 2.227 20 0 CEADMP C[N@@H+]([C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1C=CCCC1 ZINC000367622824 373167516 /nfs/dbraw/zinc/16/75/16/373167516.db2.gz KKNXWPXBUBRVGX-NVXWUHKLSA-N 2 1 277.456 2.195 20 0 CEADMP C[C@H](NCC[NH2+]C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643507725 373168995 /nfs/dbraw/zinc/16/89/95/373168995.db2.gz NRCJOSRTZCLHIY-RDJZCZTQSA-N 2 1 287.451 2.239 20 0 CEADMP CC[C@@H]([NH2+][C@@H]1COc2c(cccc2OC)C1)[C@@H]1CCC[NH2+]1 ZINC000643452068 373123816 /nfs/dbraw/zinc/12/38/16/373123816.db2.gz VHQQDHCBMYPDHC-ZNMIVQPWSA-N 2 1 290.407 2.119 20 0 CEADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3cnn4ccccc34)C2)n1 ZINC000271138300 373138258 /nfs/dbraw/zinc/13/82/58/373138258.db2.gz VIMVIPZWRXCYGN-CYBMUJFWSA-N 2 1 281.363 2.437 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000643523934 373177704 /nfs/dbraw/zinc/17/77/04/373177704.db2.gz OMROGDCNEJRABZ-CVEARBPZSA-N 3 1 259.397 2.039 20 0 CEADMP Cc1ccc(O)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000271203964 373180711 /nfs/dbraw/zinc/18/07/11/373180711.db2.gz RNJCDLCQMSEBQU-UHFFFAOYSA-N 2 1 272.352 2.198 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000643528109 373185295 /nfs/dbraw/zinc/18/52/95/373185295.db2.gz ZPMNYJNJEDCUEI-QPUJVOFHSA-N 2 1 269.186 2.373 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccncc1 ZINC000271432610 373190643 /nfs/dbraw/zinc/19/06/43/373190643.db2.gz BEYFXSRBXWBZBU-JQFCIGGWSA-N 2 1 289.423 2.110 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545999 373203106 /nfs/dbraw/zinc/20/31/06/373203106.db2.gz GXDLCVSNRIHVAD-TZMCWYRMSA-N 2 1 274.412 2.062 20 0 CEADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000643545198 373203426 /nfs/dbraw/zinc/20/34/26/373203426.db2.gz MGTLZRPIUOAWPV-GDBMZVCRSA-N 2 1 289.423 2.444 20 0 CEADMP CC(C)CN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643548046 373206528 /nfs/dbraw/zinc/20/65/28/373206528.db2.gz MHRIJUHJZZWFLQ-BFYDXBDKSA-N 2 1 279.472 2.085 20 0 CEADMP CCCNC(=O)C[N@@H+]1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000369032920 373317222 /nfs/dbraw/zinc/31/72/22/373317222.db2.gz UBPRBOJPDXIWBX-CQSZACIVSA-N 2 1 292.427 2.170 20 0 CEADMP CCCNC(=O)C[N@H+]1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000369032920 373317229 /nfs/dbraw/zinc/31/72/29/373317229.db2.gz UBPRBOJPDXIWBX-CQSZACIVSA-N 2 1 292.427 2.170 20 0 CEADMP COC[C@H]1CCCC[N@@H+](CCCn2ccnc2C)C1 ZINC000369253905 373369698 /nfs/dbraw/zinc/36/96/98/373369698.db2.gz AGQDLJXIXMUZKG-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP COC[C@H]1CCCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000369253905 373369706 /nfs/dbraw/zinc/36/97/06/373369706.db2.gz AGQDLJXIXMUZKG-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP COC[C@H]1CCCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000369253905 373369711 /nfs/dbraw/zinc/36/97/11/373369711.db2.gz AGQDLJXIXMUZKG-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP C[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000644522214 373508975 /nfs/dbraw/zinc/50/89/75/373508975.db2.gz BNTKYORTSGKVGO-HUUCEWRRSA-N 2 1 276.424 2.389 20 0 CEADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353629864 220206844 /nfs/dbraw/zinc/20/68/44/220206844.db2.gz GGBIDPNHIDUQSW-GVDBMIGSSA-N 2 1 273.424 2.395 20 0 CEADMP CCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000370160850 373593256 /nfs/dbraw/zinc/59/32/56/373593256.db2.gz IOVARRRPSFJKKQ-DGCLKSJQSA-N 2 1 280.441 2.265 20 0 CEADMP C[C@@H](CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1)CC(C)(C)C ZINC000644629542 373571305 /nfs/dbraw/zinc/57/13/05/373571305.db2.gz ILHVNWVKAIEANJ-ZFWWWQNUSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@@H](CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)CC(C)(C)C ZINC000644629542 373571312 /nfs/dbraw/zinc/57/13/12/373571312.db2.gz ILHVNWVKAIEANJ-ZFWWWQNUSA-N 2 1 270.461 2.494 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2nc(C(C)C)no2)[C@@H](C)C1 ZINC000247178505 220220413 /nfs/dbraw/zinc/22/04/13/220220413.db2.gz ZATVEOFZUQRRRJ-KBPBESRZSA-N 2 1 294.443 2.446 20 0 CEADMP CCc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(C)n1 ZINC000272899335 373699997 /nfs/dbraw/zinc/69/99/97/373699997.db2.gz PFPNNKNBOONDHS-ZWNOBZJWSA-N 2 1 260.385 2.385 20 0 CEADMP C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000370705726 373721480 /nfs/dbraw/zinc/72/14/80/373721480.db2.gz IOLZHHYCVJFURL-FZKCQIBNSA-N 2 1 295.471 2.190 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC000370746623 373738176 /nfs/dbraw/zinc/73/81/76/373738176.db2.gz FUUSIMZTKRPCHA-GJZGRUSLSA-N 2 1 299.422 2.282 20 0 CEADMP Cc1ccncc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371295218 373835284 /nfs/dbraw/zinc/83/52/84/373835284.db2.gz PSSMAWRLMJXOLX-GVDBMIGSSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ccncc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371295218 373835291 /nfs/dbraw/zinc/83/52/91/373835291.db2.gz PSSMAWRLMJXOLX-GVDBMIGSSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1sccc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000645154298 373883732 /nfs/dbraw/zinc/88/37/32/373883732.db2.gz SNDORABFLDMNIL-UHFFFAOYSA-N 2 1 281.469 2.174 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)n1 ZINC000371448853 373886653 /nfs/dbraw/zinc/88/66/53/373886653.db2.gz DCIWPDLYDAVTLH-VYESFELBSA-N 2 1 292.427 2.477 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)n1 ZINC000371448853 373886660 /nfs/dbraw/zinc/88/66/60/373886660.db2.gz DCIWPDLYDAVTLH-VYESFELBSA-N 2 1 292.427 2.477 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccs3)C2)CC1 ZINC000371337984 373846009 /nfs/dbraw/zinc/84/60/09/373846009.db2.gz XRODNYKXZWPENU-HNNXBMFYSA-N 2 1 293.480 2.348 20 0 CEADMP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cn1 ZINC000371723641 373959618 /nfs/dbraw/zinc/95/96/18/373959618.db2.gz MDNIHDBCDJOBLH-SJORKVTESA-N 2 1 284.407 2.203 20 0 CEADMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cn1 ZINC000371723641 373959626 /nfs/dbraw/zinc/95/96/26/373959626.db2.gz MDNIHDBCDJOBLH-SJORKVTESA-N 2 1 284.407 2.203 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000645693054 374139851 /nfs/dbraw/zinc/13/98/51/374139851.db2.gz BUUWVWPBYPYZMY-UKRRQHHQSA-N 2 1 289.423 2.066 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645810855 374197004 /nfs/dbraw/zinc/19/70/04/374197004.db2.gz CJRXORWHUQOMHQ-HZPDHXFCSA-N 2 1 268.445 2.467 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC1=CCCC1 ZINC000645837980 374214874 /nfs/dbraw/zinc/21/48/74/374214874.db2.gz XGYZNHBPJMOYCM-OWCLPIDISA-N 2 1 264.413 2.280 20 0 CEADMP C[C@H]1C[N@@H+](CC2=CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000645842903 374219011 /nfs/dbraw/zinc/21/90/11/374219011.db2.gz ZBODZDZQJHBISW-DOTOQJQBSA-N 2 1 277.456 2.055 20 0 CEADMP C[N@@H+](CCC[C@@H]1CCOC1)CCC[NH+]1CCCC1 ZINC000645897065 374262671 /nfs/dbraw/zinc/26/26/71/374262671.db2.gz SDBMSSBKNMQMSP-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP C[N@@H+](CCC[C@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000645911330 374275397 /nfs/dbraw/zinc/27/53/97/374275397.db2.gz LLTREQKJGZPNME-LSVZVQIISA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](CCC[C@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000645911330 374275402 /nfs/dbraw/zinc/27/54/02/374275402.db2.gz LLTREQKJGZPNME-LSVZVQIISA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](CCC[C@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000645911330 374275404 /nfs/dbraw/zinc/27/54/04/374275404.db2.gz LLTREQKJGZPNME-LSVZVQIISA-N 2 1 266.429 2.360 20 0 CEADMP CN(CC[C@H]1CCC[N@H+]1C)Cc1cn2c(n1)CCCC2 ZINC000372994131 374238830 /nfs/dbraw/zinc/23/88/30/374238830.db2.gz APXDSMWARLKMRM-OAHLLOKOSA-N 2 1 276.428 2.136 20 0 CEADMP CN(CC[C@@H]1CCC[N@H+]1C)Cc1cn2c(n1)CCCC2 ZINC000372994130 374239646 /nfs/dbraw/zinc/23/96/46/374239646.db2.gz APXDSMWARLKMRM-HNNXBMFYSA-N 2 1 276.428 2.136 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC[C@H]3CCOC3)C2)C1 ZINC000645922863 374288161 /nfs/dbraw/zinc/28/81/61/374288161.db2.gz ZJDFFZGQXKXUGD-HOTGVXAUSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC[C@H]3CCOC3)C2)C1 ZINC000645922863 374288166 /nfs/dbraw/zinc/28/81/66/374288166.db2.gz ZJDFFZGQXKXUGD-HOTGVXAUSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC[C@H]3CCOC3)C2)C1 ZINC000645922863 374288169 /nfs/dbraw/zinc/28/81/69/374288169.db2.gz ZJDFFZGQXKXUGD-HOTGVXAUSA-N 2 1 266.429 2.221 20 0 CEADMP CCCC[C@@H](COC)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000373555107 374378051 /nfs/dbraw/zinc/37/80/51/374378051.db2.gz OMVQWPZVEKANNZ-KGLIPLIRSA-N 2 1 265.401 2.240 20 0 CEADMP Cc1nccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000373606595 374390867 /nfs/dbraw/zinc/39/08/67/374390867.db2.gz DUBJJCFGXVQRPD-RHSMWYFYSA-N 2 1 286.423 2.234 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(F)cc2)CCCO1 ZINC000277656619 374598181 /nfs/dbraw/zinc/59/81/81/374598181.db2.gz FBQYHZKCIWSUIG-CQSZACIVSA-N 2 1 280.387 2.416 20 0 CEADMP C=Cn1cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cn1 ZINC000278202709 374749277 /nfs/dbraw/zinc/74/92/77/374749277.db2.gz JIVXBJUJIGFWKL-ZDUSSCGKSA-N 2 1 257.341 2.086 20 0 CEADMP CCCCOC(=O)[C@H](C)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000377262114 374826094 /nfs/dbraw/zinc/82/60/94/374826094.db2.gz NFHVYVJPIQLFFV-KBPBESRZSA-N 2 1 293.411 2.331 20 0 CEADMP CCC[C@]1(CO)CC[N@@H+](CCCn2ccnc2C)C1 ZINC000377597782 374894197 /nfs/dbraw/zinc/89/41/97/374894197.db2.gz LQGLQMGTAKVFOW-HNNXBMFYSA-N 2 1 265.401 2.066 20 0 CEADMP CCC[C@]1(CO)CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000377597782 374894206 /nfs/dbraw/zinc/89/42/06/374894206.db2.gz LQGLQMGTAKVFOW-HNNXBMFYSA-N 2 1 265.401 2.066 20 0 CEADMP CCC[C@]1(CO)CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000377597782 374894218 /nfs/dbraw/zinc/89/42/18/374894218.db2.gz LQGLQMGTAKVFOW-HNNXBMFYSA-N 2 1 265.401 2.066 20 0 CEADMP CSC1(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000377632723 374906512 /nfs/dbraw/zinc/90/65/12/374906512.db2.gz WERGQSLVLWLMOZ-FUNVUKJBSA-N 2 1 254.443 2.439 20 0 CEADMP CSC1(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000377632723 374906515 /nfs/dbraw/zinc/90/65/15/374906515.db2.gz WERGQSLVLWLMOZ-FUNVUKJBSA-N 2 1 254.443 2.439 20 0 CEADMP CSC1(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000377632723 374906524 /nfs/dbraw/zinc/90/65/24/374906524.db2.gz WERGQSLVLWLMOZ-FUNVUKJBSA-N 2 1 254.443 2.439 20 0 CEADMP Cc1ccncc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000279909587 375028055 /nfs/dbraw/zinc/02/80/55/375028055.db2.gz LTLHXGVDCOFANM-UHFFFAOYSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccnn1C(C)C ZINC000280059182 375076855 /nfs/dbraw/zinc/07/68/55/375076855.db2.gz WUQYZBRCHAQMSS-CYBMUJFWSA-N 2 1 275.400 2.395 20 0 CEADMP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000378211290 375044650 /nfs/dbraw/zinc/04/46/50/375044650.db2.gz PTNRLNPHMOYTJZ-KGLIPLIRSA-N 2 1 292.427 2.026 20 0 CEADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000384287301 375209774 /nfs/dbraw/zinc/20/97/74/375209774.db2.gz DAWAWAWKBSZLDH-DJIMGWMZSA-N 2 1 276.424 2.478 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC1(C)CCCCC1)C1CC1 ZINC000386197228 375254621 /nfs/dbraw/zinc/25/46/21/375254621.db2.gz WBKRIIPOLBVUDN-CQSZACIVSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(C)CCCCC1)C1CC1 ZINC000386197228 375254623 /nfs/dbraw/zinc/25/46/23/375254623.db2.gz WBKRIIPOLBVUDN-CQSZACIVSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+](Cc1ccc(OC(F)F)cc1)C1CC([NH3+])C1 ZINC000385193065 375229740 /nfs/dbraw/zinc/22/97/40/375229740.db2.gz OTXDQBZIQDGJOX-UHFFFAOYSA-N 2 1 256.296 2.210 20 0 CEADMP C[N@H+](CCC(=O)Nc1ccccc1Cl)C1(C[NH3+])CCC1 ZINC000385368204 375233036 /nfs/dbraw/zinc/23/30/36/375233036.db2.gz XDMUFWUUIOBHQO-UHFFFAOYSA-N 2 1 295.814 2.482 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccccc1Cl)C1(C[NH3+])CCC1 ZINC000385368204 375233043 /nfs/dbraw/zinc/23/30/43/375233043.db2.gz XDMUFWUUIOBHQO-UHFFFAOYSA-N 2 1 295.814 2.482 20 0 CEADMP CCC(CC)(CC)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000391178872 375316310 /nfs/dbraw/zinc/31/63/10/375316310.db2.gz JJWXGCOXYVRKDP-AWEZNQCLSA-N 2 1 256.434 2.248 20 0 CEADMP CCC(CC)(CC)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000391178872 375316313 /nfs/dbraw/zinc/31/63/13/375316313.db2.gz JJWXGCOXYVRKDP-AWEZNQCLSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399192989 375361030 /nfs/dbraw/zinc/36/10/30/375361030.db2.gz QXHMFUNKKOMNKY-LALPHHSUSA-N 2 1 250.361 2.487 20 0 CEADMP CC(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)[C@@H](C)[NH3+] ZINC000399402721 375364000 /nfs/dbraw/zinc/36/40/00/375364000.db2.gz SHESPAYTHJDVRV-GDBMZVCRSA-N 2 1 297.487 2.185 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)C(C)(C)C ZINC000399523751 375365919 /nfs/dbraw/zinc/36/59/19/375365919.db2.gz RMCGUXURMZTZMA-ZIAGYGMSSA-N 2 1 258.450 2.302 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000399523751 375365923 /nfs/dbraw/zinc/36/59/23/375365923.db2.gz RMCGUXURMZTZMA-ZIAGYGMSSA-N 2 1 258.450 2.302 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000399523751 375365927 /nfs/dbraw/zinc/36/59/27/375365927.db2.gz RMCGUXURMZTZMA-ZIAGYGMSSA-N 2 1 258.450 2.302 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)nn1C ZINC000282320127 375456609 /nfs/dbraw/zinc/45/66/09/375456609.db2.gz UGEWLYIOKMEDNA-DGCLKSJQSA-N 2 1 275.400 2.220 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3ccccc32)CC1(C)C ZINC000282282618 375446627 /nfs/dbraw/zinc/44/66/27/375446627.db2.gz LBSUKWUBGFYDEC-QGZVFWFLSA-N 2 1 287.451 2.290 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000282415346 375479039 /nfs/dbraw/zinc/47/90/39/375479039.db2.gz SITNYGMPDKXBDQ-CQSZACIVSA-N 2 1 279.428 2.265 20 0 CEADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000684429254 542002584 /nfs/dbraw/zinc/00/25/84/542002584.db2.gz TWEZUQRFLXAEAF-UHFFFAOYSA-N 2 1 299.374 2.118 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000412415939 375552330 /nfs/dbraw/zinc/55/23/30/375552330.db2.gz IJIZUNIHFZIBEI-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCC[C@H](CCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000412415939 375552335 /nfs/dbraw/zinc/55/23/35/375552335.db2.gz IJIZUNIHFZIBEI-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCC[C@H](CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000412415939 375552340 /nfs/dbraw/zinc/55/23/40/375552340.db2.gz IJIZUNIHFZIBEI-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP c1cn(CC[N@H+]2C[C@@H](c3ccccc3)[C@H]3COCC[C@H]32)cn1 ZINC000285958688 375845311 /nfs/dbraw/zinc/84/53/11/375845311.db2.gz NBIDXAQESOLRSJ-RCCFBDPRSA-N 2 1 297.402 2.388 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCOc2ccccc2)CC[NH2+]1 ZINC000414674001 375911300 /nfs/dbraw/zinc/91/13/00/375911300.db2.gz RQXGZUGGLPVPCQ-CABCVRRESA-N 2 1 262.397 2.385 20 0 CEADMP C[NH2+][C@@H](C)Cc1noc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000414644360 375896044 /nfs/dbraw/zinc/89/60/44/375896044.db2.gz MEZFCYOVSQRVAE-WCQYABFASA-N 2 1 278.400 2.300 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](C)CCOc2ccccc2)CC[NH2+]1 ZINC000414674005 375911635 /nfs/dbraw/zinc/91/16/35/375911635.db2.gz RQXGZUGGLPVPCQ-LSDHHAIUSA-N 2 1 262.397 2.385 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000414764118 375954578 /nfs/dbraw/zinc/95/45/78/375954578.db2.gz DRDBQXNYTNQXNZ-QZWWFDLISA-N 2 1 256.393 2.331 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC[NH2+]1 ZINC000414763783 375954833 /nfs/dbraw/zinc/95/48/33/375954833.db2.gz XYRVATZCJFPDCT-KBXIAJHMSA-N 2 1 268.445 2.103 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](CCO)Cc2cccc(F)c2)CC[NH2+]1 ZINC000414763014 375955457 /nfs/dbraw/zinc/95/54/57/375955457.db2.gz WWAZGVPNLMTFFF-HIFRSBDPSA-N 2 1 280.387 2.008 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414784363 375967069 /nfs/dbraw/zinc/96/70/69/375967069.db2.gz HNFWKAUQUJJHAW-UHFFFAOYSA-N 2 1 270.380 2.022 20 0 CEADMP COc1c(Br)cccc1C[NH2+]C1CC[NH2+]CC1 ZINC000414784269 375967784 /nfs/dbraw/zinc/96/77/84/375967784.db2.gz RZELHCAMXIYQKR-UHFFFAOYSA-N 2 1 299.212 2.299 20 0 CEADMP COCCCOc1cccc(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000414783307 375968330 /nfs/dbraw/zinc/96/83/30/375968330.db2.gz YUOFEQKEXSPBRL-UHFFFAOYSA-N 2 1 278.396 2.023 20 0 CEADMP c1cn2c(C[NH2+]C3CC[NH2+]CC3)c(C3CC3)nc2s1 ZINC000414788438 375971568 /nfs/dbraw/zinc/97/15/68/375971568.db2.gz MNTIYVVMVFRLQS-UHFFFAOYSA-N 2 1 276.409 2.115 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@H](CCO)c2ccccc2)CC[NH2+]1 ZINC000414718565 375938068 /nfs/dbraw/zinc/93/80/68/375938068.db2.gz ZJMDDGLONMIRKF-HLLBOEOZSA-N 2 1 276.424 2.430 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCOC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000414733104 375943515 /nfs/dbraw/zinc/94/35/15/375943515.db2.gz CMRDEUIHCIIGKG-HLLBOEOZSA-N 2 1 274.408 2.448 20 0 CEADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414812511 375998118 /nfs/dbraw/zinc/99/81/18/375998118.db2.gz PKNJJRRAAYSXQB-IAQYHMDHSA-N 2 1 250.361 2.474 20 0 CEADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1Br ZINC000414813749 376000331 /nfs/dbraw/zinc/00/03/31/376000331.db2.gz YQJQLJZTDAMXTD-GFCCVEGCSA-N 2 1 299.212 2.285 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1cn(C(C)C)nc1C ZINC000414815416 376002741 /nfs/dbraw/zinc/00/27/41/376002741.db2.gz XMJSUGPWSAFGMG-UHFFFAOYSA-N 2 1 252.406 2.380 20 0 CEADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1C ZINC000414820366 376007400 /nfs/dbraw/zinc/00/74/00/376007400.db2.gz AOMORSSLMKDOCU-ZFWWWQNUSA-N 2 1 289.423 2.362 20 0 CEADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414803960 375990053 /nfs/dbraw/zinc/99/00/53/375990053.db2.gz JYXXWUAZVOQCAH-IINYFYTJSA-N 2 1 295.814 2.384 20 0 CEADMP C[NH2+]CCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000262364618 190054085 /nfs/dbraw/zinc/05/40/85/190054085.db2.gz KUYNPRDEXGVRKW-CQSZACIVSA-N 2 1 289.423 2.467 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CC(C)C)OC)[C@H](C)C1 ZINC000417360806 376186746 /nfs/dbraw/zinc/18/67/46/376186746.db2.gz KGDGIARJPUDDTO-ILXRZTDVSA-N 2 1 256.434 2.367 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)[C@@H](C)C1 ZINC000305764331 376478273 /nfs/dbraw/zinc/47/82/73/376478273.db2.gz BPUXHZNEDDBRNY-SOUVJXGZSA-N 2 1 270.461 2.349 20 0 CEADMP CCN1CC[C@H]2OCC[N@@H+](C[C@@H]3CC=CCC3)[C@H]2C1 ZINC000556927906 376520202 /nfs/dbraw/zinc/52/02/02/376520202.db2.gz VXUJJKBHCFTAEK-OWCLPIDISA-N 2 1 264.413 2.138 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420198461 376608864 /nfs/dbraw/zinc/60/88/64/376608864.db2.gz CKOOKIKZLOHIQN-GFCCVEGCSA-N 2 1 299.374 2.312 20 0 CEADMP CC(C)c1cc(N2CCC([C@H](C)[NH3+])CC2)nc(N(C)C)[nH+]1 ZINC000420222135 376628082 /nfs/dbraw/zinc/62/80/82/376628082.db2.gz RKRHSNKLGXZPDY-LBPRGKRZSA-N 2 1 291.443 2.230 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000310869096 376639507 /nfs/dbraw/zinc/63/95/07/376639507.db2.gz LRPOHZFHUCKPAB-AWEZNQCLSA-N 3 1 255.450 2.358 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCOCC1 ZINC000558769967 376645027 /nfs/dbraw/zinc/64/50/27/376645027.db2.gz ONQXHTHALFLWRC-CJNGLKHVSA-N 2 1 266.429 2.266 20 0 CEADMP CCc1nc(N2CCC([C@@H]3CC[NH2+]C3)CC2)cc(C)[nH+]1 ZINC000420254766 376664658 /nfs/dbraw/zinc/66/46/58/376664658.db2.gz HAGRCPOKGRJHGX-CQSZACIVSA-N 2 1 274.412 2.173 20 0 CEADMP CC(C)C(C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)C ZINC000311506399 376672969 /nfs/dbraw/zinc/67/29/69/376672969.db2.gz ZOJXJDIAVHQPAN-CABCVRRESA-N 2 1 268.445 2.367 20 0 CEADMP CC(C)C(C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)C ZINC000311506399 376672974 /nfs/dbraw/zinc/67/29/74/376672974.db2.gz ZOJXJDIAVHQPAN-CABCVRRESA-N 2 1 268.445 2.367 20 0 CEADMP CC(C)C[N@@H+](CCOCC[NH3+])[C@H]1CCCc2cccnc21 ZINC000420383649 376683996 /nfs/dbraw/zinc/68/39/96/376683996.db2.gz ZUEJPCPNBZXRFJ-INIZCTEOSA-N 2 1 291.439 2.392 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)NCCn1cc[nH+]c1C ZINC000264489296 190113853 /nfs/dbraw/zinc/11/38/53/190113853.db2.gz ZPUDVPACUJOTPF-UHFFFAOYSA-N 2 1 294.443 2.210 20 0 CEADMP COc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1O ZINC000290394326 376760377 /nfs/dbraw/zinc/76/03/77/376760377.db2.gz JADOPTRSNAALOW-LSDHHAIUSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1O ZINC000290394326 376760383 /nfs/dbraw/zinc/76/03/83/376760383.db2.gz JADOPTRSNAALOW-LSDHHAIUSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1O ZINC000290394326 376760387 /nfs/dbraw/zinc/76/03/87/376760387.db2.gz JADOPTRSNAALOW-LSDHHAIUSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1O ZINC000290394326 376760395 /nfs/dbraw/zinc/76/03/95/376760395.db2.gz JADOPTRSNAALOW-LSDHHAIUSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1O ZINC000290394326 376760399 /nfs/dbraw/zinc/76/03/99/376760399.db2.gz JADOPTRSNAALOW-LSDHHAIUSA-N 2 1 290.407 2.317 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2C[C@@H](O)C2)C1 ZINC000420915925 376736097 /nfs/dbraw/zinc/73/60/97/376736097.db2.gz NEKYLJONKVEPPF-LUKYLMHMSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2C[C@@H](O)C2)C1 ZINC000420915925 376736100 /nfs/dbraw/zinc/73/61/00/376736100.db2.gz NEKYLJONKVEPPF-LUKYLMHMSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H](O)C2)C1 ZINC000420915925 376736107 /nfs/dbraw/zinc/73/61/07/376736107.db2.gz NEKYLJONKVEPPF-LUKYLMHMSA-N 2 1 280.456 2.344 20 0 CEADMP CCc1nc(NCCC[NH2+]Cc2cccnc2)cc(C)[nH+]1 ZINC000314400552 376773987 /nfs/dbraw/zinc/77/39/87/376773987.db2.gz WJTYSMCFRKRPAV-UHFFFAOYSA-N 2 1 285.395 2.334 20 0 CEADMP C[C@@H]1CCC[C@](C[NH2+]CCCc2cnn(C)c2)([NH+](C)C)C1 ZINC000314968434 376790249 /nfs/dbraw/zinc/79/02/49/376790249.db2.gz WGXDINDVZYDITN-WBVHZDCISA-N 2 1 292.471 2.453 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)C[C@@H]2CCC[N@@H+]2C)c1C ZINC000420999342 376771778 /nfs/dbraw/zinc/77/17/78/376771778.db2.gz JLPJPPMOFYABMX-AWEZNQCLSA-N 2 1 277.412 2.233 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)C[C@@H]2CCC[N@H+]2C)c1C ZINC000420999342 376771783 /nfs/dbraw/zinc/77/17/83/376771783.db2.gz JLPJPPMOFYABMX-AWEZNQCLSA-N 2 1 277.412 2.233 20 0 CEADMP CCN(CC)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000561063418 376791906 /nfs/dbraw/zinc/79/19/06/376791906.db2.gz XVWLEYFUAJUIKF-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP COc1cc2c(cc1OC)[C@H]([NH2+]C1CC[NH+](C)CC1)CC2 ZINC000280249655 542126176 /nfs/dbraw/zinc/12/61/76/542126176.db2.gz WOOWQPLRSWFNOS-OAHLLOKOSA-N 2 1 290.407 2.375 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H]1CCOC1(C)C)[NH+]1CCCC1 ZINC000328403726 376851297 /nfs/dbraw/zinc/85/12/97/376851297.db2.gz SKTMSIPSQFQKHI-KBPBESRZSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422958786 376884460 /nfs/dbraw/zinc/88/44/60/376884460.db2.gz PYKGGHWMYMQEPZ-MWQQHZPXSA-N 3 1 290.455 2.338 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422995611 376912097 /nfs/dbraw/zinc/91/20/97/376912097.db2.gz KMLARQHAEGFEPG-BRWVUGGUSA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422996001 376912270 /nfs/dbraw/zinc/91/22/70/376912270.db2.gz KUAVTTQQDWPOMZ-ZACQAIPSSA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422995999 376912938 /nfs/dbraw/zinc/91/29/38/376912938.db2.gz KUAVTTQQDWPOMZ-YESZJQIVSA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422998893 376916849 /nfs/dbraw/zinc/91/68/49/376916849.db2.gz ROMLDXCOMIPYAC-BBWFWOEESA-N 3 1 281.488 2.332 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422998893 376916861 /nfs/dbraw/zinc/91/68/61/376916861.db2.gz ROMLDXCOMIPYAC-BBWFWOEESA-N 2 1 281.488 2.332 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422998893 376916866 /nfs/dbraw/zinc/91/68/66/376916866.db2.gz ROMLDXCOMIPYAC-BBWFWOEESA-N 2 1 281.488 2.332 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423003725 376922005 /nfs/dbraw/zinc/92/20/05/376922005.db2.gz NEMBRXKSAYEOML-DZGCQCFKSA-N 2 1 278.444 2.295 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000423004055 376922323 /nfs/dbraw/zinc/92/23/23/376922323.db2.gz IZROXSOUDAVRNQ-GJZGRUSLSA-N 3 1 255.450 2.212 20 0 CEADMP CCc1ccc([C@@H](CO)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423004669 376924170 /nfs/dbraw/zinc/92/41/70/376924170.db2.gz PPEXSNKAIPESEB-FCLJQHQZSA-N 2 1 274.408 2.155 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000423015034 376929596 /nfs/dbraw/zinc/92/95/96/376929596.db2.gz QFCIBLBHOYRYMR-WOPDTQHZSA-N 2 1 282.350 2.200 20 0 CEADMP CC1=CC[N@H+](CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423042573 376948586 /nfs/dbraw/zinc/94/85/86/376948586.db2.gz ZTAOGSVCCOUMPK-ZACQAIPSSA-N 2 1 277.456 2.149 20 0 CEADMP CC1=CC[N@@H+](CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423042573 376948591 /nfs/dbraw/zinc/94/85/91/376948591.db2.gz ZTAOGSVCCOUMPK-ZACQAIPSSA-N 2 1 277.456 2.149 20 0 CEADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000423068471 376959895 /nfs/dbraw/zinc/95/98/95/376959895.db2.gz JXVXYNDYSNBGEF-DZGCQCFKSA-N 2 1 285.391 2.057 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOC(F)(F)F ZINC000423070375 376962287 /nfs/dbraw/zinc/96/22/87/376962287.db2.gz NBPOQSDNHXCWLJ-CMPLNLGQSA-N 2 1 276.302 2.071 20 0 CEADMP CCNC(=O)C1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCC1 ZINC000423076896 376969901 /nfs/dbraw/zinc/96/99/01/376969901.db2.gz KSKHUMSLJGEHFT-LSDHHAIUSA-N 2 1 287.407 2.027 20 0 CEADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423121728 377016936 /nfs/dbraw/zinc/01/69/36/377016936.db2.gz BHCJZAKLHPCNCY-APHBMKBZSA-N 2 1 289.423 2.273 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1COc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000423121874 377017716 /nfs/dbraw/zinc/01/77/16/377017716.db2.gz JMZCLSRVAAQAOU-GUTXKFCHSA-N 2 1 260.381 2.283 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1COc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423126030 377024830 /nfs/dbraw/zinc/02/48/30/377024830.db2.gz RKUBPZCVJOLRQL-CFVMTHIKSA-N 2 1 260.381 2.283 20 0 CEADMP C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423130410 377029470 /nfs/dbraw/zinc/02/94/70/377029470.db2.gz YFUABPWEZAIDKM-HPBDAGMYSA-N 2 1 288.435 2.273 20 0 CEADMP C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1c[nH+]ccc1N ZINC000423135938 377035723 /nfs/dbraw/zinc/03/57/23/377035723.db2.gz OQFWJPKBQJRVQX-JSGCOSHPSA-N 2 1 277.412 2.334 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)c1c[nH+]ccc1N ZINC000423141708 377038620 /nfs/dbraw/zinc/03/86/20/377038620.db2.gz RKKBNFNHFFWHCX-CHWSQXEVSA-N 2 1 264.417 2.265 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423141793 377038673 /nfs/dbraw/zinc/03/86/73/377038673.db2.gz RVGXRZGHRKWFPJ-KFWWJZLASA-N 2 1 255.450 2.227 20 0 CEADMP CC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423142646 377042031 /nfs/dbraw/zinc/04/20/31/377042031.db2.gz AXVRCBSJRKSHGP-UPJWGTAASA-N 2 1 276.371 2.169 20 0 CEADMP C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423088600 376981369 /nfs/dbraw/zinc/98/13/69/376981369.db2.gz SIUMGSNQRKXJME-NJAFHUGGSA-N 2 1 287.451 2.239 20 0 CEADMP COCCCOc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000423111526 377006505 /nfs/dbraw/zinc/00/65/05/377006505.db2.gz WFIKQZJMIHIHGS-CVEARBPZSA-N 2 1 278.396 2.071 20 0 CEADMP Cc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])ccn1 ZINC000423160370 377063520 /nfs/dbraw/zinc/06/35/20/377063520.db2.gz QRPDNIGQRLNELM-RHSMWYFYSA-N 2 1 269.392 2.438 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cnccc1N ZINC000423164379 377066854 /nfs/dbraw/zinc/06/68/54/377066854.db2.gz OJYBZBLMOVBFGL-LBPRGKRZSA-N 2 1 262.401 2.019 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1c[nH+]ccc1N ZINC000423164379 377066863 /nfs/dbraw/zinc/06/68/63/377066863.db2.gz OJYBZBLMOVBFGL-LBPRGKRZSA-N 3 1 262.401 2.019 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1c[nH+]ccc1N ZINC000423164379 377066874 /nfs/dbraw/zinc/06/68/74/377066874.db2.gz OJYBZBLMOVBFGL-LBPRGKRZSA-N 3 1 262.401 2.019 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423165232 377069630 /nfs/dbraw/zinc/06/96/30/377069630.db2.gz AWYOLEHHLNMTIJ-COXVUDFISA-N 3 1 273.424 2.453 20 0 CEADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@H](N)c3ccccc32)C1 ZINC000423165232 377069640 /nfs/dbraw/zinc/06/96/40/377069640.db2.gz AWYOLEHHLNMTIJ-COXVUDFISA-N 2 1 273.424 2.453 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@H](N)c3ccccc32)C1 ZINC000423165232 377069646 /nfs/dbraw/zinc/06/96/46/377069646.db2.gz AWYOLEHHLNMTIJ-COXVUDFISA-N 2 1 273.424 2.453 20 0 CEADMP CC[C@H]([NH2+][C@@H](CO)Cc1ccc(C)c(C)c1)[C@@H]1CCC[NH2+]1 ZINC000423170391 377077381 /nfs/dbraw/zinc/07/73/81/377077381.db2.gz XYETWUNJGZVCMC-SQNIBIBYSA-N 2 1 290.451 2.327 20 0 CEADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[NH3+] ZINC000423173856 377082420 /nfs/dbraw/zinc/08/24/20/377082420.db2.gz AIQKXYQGDCAXAM-GFCCVEGCSA-N 2 1 263.385 2.075 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C12CCC2 ZINC000423173061 377082605 /nfs/dbraw/zinc/08/26/05/377082605.db2.gz WUAZWEMRSQAWQC-YIYPIFLZSA-N 2 1 252.402 2.064 20 0 CEADMP [NH3+]CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423180067 377091283 /nfs/dbraw/zinc/09/12/83/377091283.db2.gz DXHUJALJXHWYOZ-OSYLJGHBSA-N 2 1 273.424 2.120 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(CO)c1 ZINC000423185259 377097048 /nfs/dbraw/zinc/09/70/48/377097048.db2.gz UWNYRBLBZVZSEU-ZDUSSCGKSA-N 2 1 262.397 2.491 20 0 CEADMP Cc1ncc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(C)n1 ZINC000423213967 377131195 /nfs/dbraw/zinc/13/11/95/377131195.db2.gz KUYBOVQDPBTQRJ-SUNKGSAMSA-N 2 1 262.401 2.132 20 0 CEADMP C[C@H]([NH3+])CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423224087 377140345 /nfs/dbraw/zinc/14/03/45/377140345.db2.gz IEWBXQJTKQGEEY-ZOBUZTSGSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423224087 377140355 /nfs/dbraw/zinc/14/03/55/377140355.db2.gz IEWBXQJTKQGEEY-ZOBUZTSGSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423224087 377140364 /nfs/dbraw/zinc/14/03/64/377140364.db2.gz IEWBXQJTKQGEEY-ZOBUZTSGSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000423224087 377140373 /nfs/dbraw/zinc/14/03/73/377140373.db2.gz IEWBXQJTKQGEEY-ZOBUZTSGSA-N 2 1 275.440 2.224 20 0 CEADMP CC[NH2+]CC[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423238081 377156729 /nfs/dbraw/zinc/15/67/29/377156729.db2.gz DZHCKMWHGNCEPI-UHFFFAOYSA-N 2 1 283.366 2.133 20 0 CEADMP CC[NH2+]CC[NH2+][C@H]1C[C@H](OCC)C12CCCCC2 ZINC000423244629 377164137 /nfs/dbraw/zinc/16/41/37/377164137.db2.gz LKTPTWBLFRDOAA-KBPBESRZSA-N 2 1 254.418 2.313 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000423255622 377175608 /nfs/dbraw/zinc/17/56/08/377175608.db2.gz AJVZTLAGVPNJLV-RYUDHWBXSA-N 2 1 266.433 2.453 20 0 CEADMP CC(C)C[C@H](C[NH3+])N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423261693 377179427 /nfs/dbraw/zinc/17/94/27/377179427.db2.gz KMVOAJUJMCVDJI-NXHRZFHOSA-N 2 1 289.467 2.470 20 0 CEADMP CCCNC(=O)CCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000563357634 377183146 /nfs/dbraw/zinc/18/31/46/377183146.db2.gz UQLHCIPHRSNAMS-UHFFFAOYSA-N 2 1 283.460 2.097 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000423269160 377189421 /nfs/dbraw/zinc/18/94/21/377189421.db2.gz GUOCFKPKHHFQIY-YOEHRIQHSA-N 2 1 284.407 2.206 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000423283577 377211536 /nfs/dbraw/zinc/21/15/36/377211536.db2.gz XLSISSNJXYHJJK-UWVGGRQHSA-N 2 1 271.792 2.250 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423297246 377227632 /nfs/dbraw/zinc/22/76/32/377227632.db2.gz JKKAKRJIYRDEOY-RQJABVFESA-N 2 1 254.418 2.297 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000423297436 377228037 /nfs/dbraw/zinc/22/80/37/377228037.db2.gz KGSFQIRFNZZAMI-DZGCQCFKSA-N 2 1 287.411 2.435 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000423316423 377244900 /nfs/dbraw/zinc/24/49/00/377244900.db2.gz ASUNXCRCGRXECY-KBPBESRZSA-N 2 1 289.423 2.168 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423315214 377244948 /nfs/dbraw/zinc/24/49/48/377244948.db2.gz ZDEKXKABRSUAFP-XCBNKYQSSA-N 2 1 258.287 2.276 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1F ZINC000423323809 377255307 /nfs/dbraw/zinc/25/53/07/377255307.db2.gz OVJZADZHESKWEL-RNCFNFMXSA-N 2 1 252.333 2.222 20 0 CEADMP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)s1 ZINC000423328738 377263256 /nfs/dbraw/zinc/26/32/56/377263256.db2.gz SFXZSAOIIGXLTR-GZMMTYOYSA-N 2 1 253.415 2.402 20 0 CEADMP Cc1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)o1 ZINC000685567167 542158192 /nfs/dbraw/zinc/15/81/92/542158192.db2.gz XZUUNWZXERMEAU-KBPBESRZSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)o1 ZINC000685567167 542158195 /nfs/dbraw/zinc/15/81/95/542158195.db2.gz XZUUNWZXERMEAU-KBPBESRZSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000685567167 542158198 /nfs/dbraw/zinc/15/81/98/542158198.db2.gz XZUUNWZXERMEAU-KBPBESRZSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000685567167 542158200 /nfs/dbraw/zinc/15/82/00/542158200.db2.gz XZUUNWZXERMEAU-KBPBESRZSA-N 2 1 263.385 2.208 20 0 CEADMP CC1CCC(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000563723065 377283135 /nfs/dbraw/zinc/28/31/35/377283135.db2.gz NGJNFIVVTBYPTD-UHFFFAOYSA-N 2 1 262.401 2.358 20 0 CEADMP COC[C@@H](C)C[N@@H+](Cc1ccco1)C1CCN(C)CC1 ZINC000564317751 377373043 /nfs/dbraw/zinc/37/30/43/377373043.db2.gz OWMGXHSVOYVUNT-AWEZNQCLSA-N 2 1 280.412 2.458 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000292908229 377345754 /nfs/dbraw/zinc/34/57/54/377345754.db2.gz WONOOOSGLYGTEF-RDJZCZTQSA-N 2 1 294.414 2.003 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000292908229 377345761 /nfs/dbraw/zinc/34/57/61/377345761.db2.gz WONOOOSGLYGTEF-RDJZCZTQSA-N 2 1 294.414 2.003 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000292908229 377345767 /nfs/dbraw/zinc/34/57/67/377345767.db2.gz WONOOOSGLYGTEF-RDJZCZTQSA-N 2 1 294.414 2.003 20 0 CEADMP CC[NH2+]CCCN[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000564822174 377463693 /nfs/dbraw/zinc/46/36/93/377463693.db2.gz DLRUQJPXDFNYDH-RDJZCZTQSA-N 2 1 275.440 2.096 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000564822174 377463699 /nfs/dbraw/zinc/46/36/99/377463699.db2.gz DLRUQJPXDFNYDH-RDJZCZTQSA-N 2 1 275.440 2.096 20 0 CEADMP C[C@H](CNC(=O)C1([NH3+])CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000430760166 377548454 /nfs/dbraw/zinc/54/84/54/377548454.db2.gz ILEAFFQZAKYUCU-ZIAGYGMSSA-N 2 1 281.444 2.027 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293424256 377561342 /nfs/dbraw/zinc/56/13/42/377561342.db2.gz NWTUAUYDCULADL-CYBMUJFWSA-N 2 1 289.423 2.133 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130187194 249315401 /nfs/dbraw/zinc/31/54/01/249315401.db2.gz JZDPCZPEFUWJDK-FPMFFAJLSA-N 2 1 262.401 2.006 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130187194 249315403 /nfs/dbraw/zinc/31/54/03/249315403.db2.gz JZDPCZPEFUWJDK-FPMFFAJLSA-N 2 1 262.401 2.006 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C[NH2+]CC2 ZINC000565369032 377652856 /nfs/dbraw/zinc/65/28/56/377652856.db2.gz VDXIDHJAWZYGLD-HKUYNNGSSA-N 3 1 299.462 2.296 20 0 CEADMP c1cc2c(cc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)C[NH2+]CC2 ZINC000565369032 377652862 /nfs/dbraw/zinc/65/28/62/377652862.db2.gz VDXIDHJAWZYGLD-HKUYNNGSSA-N 2 1 299.462 2.296 20 0 CEADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CO2 ZINC000566091292 377724509 /nfs/dbraw/zinc/72/45/09/377724509.db2.gz SEVMMYYBOFGGIP-YOOVYSLHSA-N 2 1 258.365 2.301 20 0 CEADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000566121666 377728234 /nfs/dbraw/zinc/72/82/34/377728234.db2.gz MGHCTLJPUBSJLV-HIFRSBDPSA-N 2 1 254.418 2.166 20 0 CEADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000566121666 377728236 /nfs/dbraw/zinc/72/82/36/377728236.db2.gz MGHCTLJPUBSJLV-HIFRSBDPSA-N 2 1 254.418 2.166 20 0 CEADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c(C)n2n1 ZINC000293734176 377728923 /nfs/dbraw/zinc/72/89/23/377728923.db2.gz QFYGBDNAHBUZMF-AAEUAGOBSA-N 2 1 289.427 2.194 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000566125362 377729588 /nfs/dbraw/zinc/72/95/88/377729588.db2.gz QZNOBIHHMLUKBE-HRCADAONSA-N 2 1 294.826 2.241 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000566125362 377729595 /nfs/dbraw/zinc/72/95/95/377729595.db2.gz QZNOBIHHMLUKBE-HRCADAONSA-N 2 1 294.826 2.241 20 0 CEADMP CC(C)[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC000432352191 377750726 /nfs/dbraw/zinc/75/07/26/377750726.db2.gz WHEFFNHXOJSHFZ-IXDOHACOSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC000432352191 377750735 /nfs/dbraw/zinc/75/07/35/377750735.db2.gz WHEFFNHXOJSHFZ-IXDOHACOSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC000432352190 377751423 /nfs/dbraw/zinc/75/14/23/377751423.db2.gz WHEFFNHXOJSHFZ-IKGGRYGDSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC000432352190 377751430 /nfs/dbraw/zinc/75/14/30/377751430.db2.gz WHEFFNHXOJSHFZ-IKGGRYGDSA-N 2 1 298.471 2.281 20 0 CEADMP CCn1cncc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000333519141 377770340 /nfs/dbraw/zinc/77/03/40/377770340.db2.gz GKAZIFAUCHENRT-UHTWSYAYSA-N 2 1 262.357 2.039 20 0 CEADMP CCn1cncc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000333519141 377770351 /nfs/dbraw/zinc/77/03/51/377770351.db2.gz GKAZIFAUCHENRT-UHTWSYAYSA-N 2 1 262.357 2.039 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C ZINC000441342565 377935884 /nfs/dbraw/zinc/93/58/84/377935884.db2.gz UBGARHJCDWBBBR-OAGGEKHMSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441354386 377938093 /nfs/dbraw/zinc/93/80/93/377938093.db2.gz IKPRNSHEMXCOKA-HUUCEWRRSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1CCCN1C(=O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441355602 377939004 /nfs/dbraw/zinc/93/90/04/377939004.db2.gz KPQXTZFWUSTAIA-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H]1CCCN1C(=O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441355602 377939007 /nfs/dbraw/zinc/93/90/07/377939007.db2.gz KPQXTZFWUSTAIA-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCOCC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000441830441 377958952 /nfs/dbraw/zinc/95/89/52/377958952.db2.gz YMUZMBCTBSROPL-HNNXBMFYSA-N 2 1 256.434 2.467 20 0 CEADMP CCCCOCC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000441830441 377958954 /nfs/dbraw/zinc/95/89/54/377958954.db2.gz YMUZMBCTBSROPL-HNNXBMFYSA-N 2 1 256.434 2.467 20 0 CEADMP COCCOc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000442917371 378017441 /nfs/dbraw/zinc/01/74/41/378017441.db2.gz AHQOTHFIXNENTG-OAHLLOKOSA-N 2 1 292.423 2.273 20 0 CEADMP CC(C)c1noc([C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000443062710 378031397 /nfs/dbraw/zinc/03/13/97/378031397.db2.gz VDJUQKGOYWENIS-VXGBXAGGSA-N 2 1 266.389 2.315 20 0 CEADMP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057806 378032163 /nfs/dbraw/zinc/03/21/63/378032163.db2.gz HZGSADFKFNFJBT-QWHCGFSZSA-N 2 1 293.386 2.214 20 0 CEADMP CO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cs1 ZINC000443064916 378033016 /nfs/dbraw/zinc/03/30/16/378033016.db2.gz ZBLDNRLSDNHFTF-NWDGAFQWSA-N 2 1 283.441 2.411 20 0 CEADMP CO[C@@H](C)c1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cs1 ZINC000443064916 378033020 /nfs/dbraw/zinc/03/30/20/378033020.db2.gz ZBLDNRLSDNHFTF-NWDGAFQWSA-N 2 1 283.441 2.411 20 0 CEADMP CO[C@H](C)c1nc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cs1 ZINC000443064920 378033646 /nfs/dbraw/zinc/03/36/46/378033646.db2.gz ZBLDNRLSDNHFTF-VXGBXAGGSA-N 2 1 283.441 2.411 20 0 CEADMP CO[C@H](C)c1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cs1 ZINC000443064920 378033652 /nfs/dbraw/zinc/03/36/52/378033652.db2.gz ZBLDNRLSDNHFTF-VXGBXAGGSA-N 2 1 283.441 2.411 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000442933068 378021162 /nfs/dbraw/zinc/02/11/62/378021162.db2.gz ZNNRKMGUPHMIMZ-GFCCVEGCSA-N 2 1 258.369 2.124 20 0 CEADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000447583880 378120511 /nfs/dbraw/zinc/12/05/11/378120511.db2.gz CVOUGMFSFUWKPI-FUDCBSFHSA-N 2 1 282.428 2.322 20 0 CEADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](C)[C@H](C)C2)C[C@@H]1C ZINC000447300231 378099529 /nfs/dbraw/zinc/09/95/29/378099529.db2.gz WPUPZNZJLJNODO-OEXSFMSHSA-N 2 1 282.472 2.303 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](C)[C@H](C)C2)C[C@@H]1C ZINC000447300231 378099534 /nfs/dbraw/zinc/09/95/34/378099534.db2.gz WPUPZNZJLJNODO-OEXSFMSHSA-N 2 1 282.472 2.303 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CC[C@H](C)[C@H](C)C2)C[C@@H]1C ZINC000447300231 378099536 /nfs/dbraw/zinc/09/95/36/378099536.db2.gz WPUPZNZJLJNODO-OEXSFMSHSA-N 2 1 282.472 2.303 20 0 CEADMP Cc1cccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1F ZINC000295922009 378356851 /nfs/dbraw/zinc/35/68/51/378356851.db2.gz AEHZMMZXZKVEED-UHFFFAOYSA-N 2 1 293.430 2.250 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)CO2 ZINC000296019938 378392597 /nfs/dbraw/zinc/39/25/97/378392597.db2.gz PLVANVSEEAGKFT-HNNXBMFYSA-N 2 1 292.423 2.319 20 0 CEADMP CCN1CCC([N@H+](C)CCc2cscn2)CC1 ZINC000450462189 378430977 /nfs/dbraw/zinc/43/09/77/378430977.db2.gz FCKBESLKLCUYIP-UHFFFAOYSA-N 2 1 253.415 2.102 20 0 CEADMP CCN1CCC([N@@H+](C)CCc2cscn2)CC1 ZINC000450462189 378430980 /nfs/dbraw/zinc/43/09/80/378430980.db2.gz FCKBESLKLCUYIP-UHFFFAOYSA-N 2 1 253.415 2.102 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000453002225 378769607 /nfs/dbraw/zinc/76/96/07/378769607.db2.gz FBGYZXBNDKEVKK-HLLBOEOZSA-N 2 1 276.424 2.035 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000453002225 378769615 /nfs/dbraw/zinc/76/96/15/378769615.db2.gz FBGYZXBNDKEVKK-HLLBOEOZSA-N 2 1 276.424 2.035 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000453002225 378769619 /nfs/dbraw/zinc/76/96/19/378769619.db2.gz FBGYZXBNDKEVKK-HLLBOEOZSA-N 2 1 276.424 2.035 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@H](SC)C(C)(C)C)CC1 ZINC000346803206 218018406 /nfs/dbraw/zinc/01/84/06/218018406.db2.gz VBCHIRTZWNOZFR-AWEZNQCLSA-N 2 1 288.501 2.465 20 0 CEADMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(-c2ccccc2)n1 ZINC000346821523 218025571 /nfs/dbraw/zinc/02/55/71/218025571.db2.gz IJZNFVICJLZCMH-UAGQMJEPSA-N 2 1 296.418 2.256 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)C[C@@H]12 ZINC000346829881 218027566 /nfs/dbraw/zinc/02/75/66/218027566.db2.gz OJGOLZNGHFKVKN-CYZMBNFOSA-N 2 1 288.420 2.307 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453161564 378821677 /nfs/dbraw/zinc/82/16/77/378821677.db2.gz IUPHUCXNNWWLHK-BZZMCLGOSA-N 2 1 288.435 2.400 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]12 ZINC000346851800 218036308 /nfs/dbraw/zinc/03/63/08/218036308.db2.gz QYVXBRRRDFWYOJ-DJIMGWMZSA-N 2 1 282.391 2.041 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2=CCOCC2)[C@H](C)C1 ZINC000453293905 378857222 /nfs/dbraw/zinc/85/72/22/378857222.db2.gz QCEGDKDXMBFRQJ-NVXWUHKLSA-N 2 1 296.455 2.060 20 0 CEADMP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000453341918 378867819 /nfs/dbraw/zinc/86/78/19/378867819.db2.gz HOGJDDOFAMOKCD-WTXIUTQJSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@]1(C)CCCO1 ZINC000453398196 378886540 /nfs/dbraw/zinc/88/65/40/378886540.db2.gz KIUXJYHEKMJMOG-HIFRSBDPSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC[NH+]1CCCC1(C)C ZINC000453401014 378888544 /nfs/dbraw/zinc/88/85/44/378888544.db2.gz OSPVYWKYQXMPOK-ILXRZTDVSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NCC[N@@H+]1CCCC1(C)C ZINC000453401014 378888550 /nfs/dbraw/zinc/88/85/50/378888550.db2.gz OSPVYWKYQXMPOK-ILXRZTDVSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NCC[N@H+]1CCCC1(C)C ZINC000453401014 378888556 /nfs/dbraw/zinc/88/85/56/378888556.db2.gz OSPVYWKYQXMPOK-ILXRZTDVSA-N 2 1 267.461 2.179 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC000453445526 378906598 /nfs/dbraw/zinc/90/65/98/378906598.db2.gz OVFRAZPOTFNDCO-CGTJXYLNSA-N 2 1 290.451 2.137 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1C ZINC000453445526 378906601 /nfs/dbraw/zinc/90/66/01/378906601.db2.gz OVFRAZPOTFNDCO-CGTJXYLNSA-N 2 1 290.451 2.137 20 0 CEADMP CCn1ccnc1[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000453375518 378877230 /nfs/dbraw/zinc/87/72/30/378877230.db2.gz XUWDIRCUNXSDAD-ZOBORPQBSA-N 2 1 264.417 2.282 20 0 CEADMP C[N@@H+](Cc1cccc(-n2cccn2)c1)C1CC[NH2+]CC1 ZINC000347012380 218090902 /nfs/dbraw/zinc/09/09/02/218090902.db2.gz HMEURXQMFBXCBJ-UHFFFAOYSA-N 2 1 270.380 2.056 20 0 CEADMP COc1ccccc1[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346976843 218075607 /nfs/dbraw/zinc/07/56/07/218075607.db2.gz KGJGAOXTCHVZMI-LSDHHAIUSA-N 2 1 274.408 2.484 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1ccc([S@](C)=O)cc1)C1CC1 ZINC000453593666 378916476 /nfs/dbraw/zinc/91/64/76/378916476.db2.gz HDJRCNAWMVFJQN-FQEVSTJZSA-N 2 1 294.464 2.388 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000347033886 218098950 /nfs/dbraw/zinc/09/89/50/218098950.db2.gz BHXYTEGOKVCLAT-CYBMUJFWSA-N 2 1 270.380 2.166 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC000347053916 218105367 /nfs/dbraw/zinc/10/53/67/218105367.db2.gz LIGWTTPUELJTDC-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC000347053916 218105369 /nfs/dbraw/zinc/10/53/69/218105369.db2.gz LIGWTTPUELJTDC-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000347096072 218120141 /nfs/dbraw/zinc/12/01/41/218120141.db2.gz IBEHYIFLVUYZJJ-INIZCTEOSA-N 2 1 297.402 2.441 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000347111567 218123936 /nfs/dbraw/zinc/12/39/36/218123936.db2.gz QVTXDPCACIPDKI-MRXNPFEDSA-N 2 1 292.423 2.143 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000347111567 218123938 /nfs/dbraw/zinc/12/39/38/218123938.db2.gz QVTXDPCACIPDKI-MRXNPFEDSA-N 2 1 292.423 2.143 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(F)cc1 ZINC000278603162 194064878 /nfs/dbraw/zinc/06/48/78/194064878.db2.gz IYTHSLPSEDNLRT-AEGPPILISA-N 2 1 262.372 2.423 20 0 CEADMP C[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc(F)cc1 ZINC000278603162 194064880 /nfs/dbraw/zinc/06/48/80/194064880.db2.gz IYTHSLPSEDNLRT-AEGPPILISA-N 2 1 262.372 2.423 20 0 CEADMP C[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc(F)cc1 ZINC000278603162 194064881 /nfs/dbraw/zinc/06/48/81/194064881.db2.gz IYTHSLPSEDNLRT-AEGPPILISA-N 2 1 262.372 2.423 20 0 CEADMP C[C@@H](Cc1ccncc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000347203687 218155381 /nfs/dbraw/zinc/15/53/81/218155381.db2.gz CUHRUKQPMVBTIS-ZDUSSCGKSA-N 2 1 259.397 2.229 20 0 CEADMP CC[NH2+]CC[NH2+][C@H](CC)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497073961 379042849 /nfs/dbraw/zinc/04/28/49/379042849.db2.gz SNZVGRYWUYQVAL-ZIAGYGMSSA-N 2 1 299.459 2.364 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000180166934 542261740 /nfs/dbraw/zinc/26/17/40/542261740.db2.gz SFYRRQAIBKPFRF-LLVKDONJSA-N 2 1 262.401 2.243 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000508324828 379108676 /nfs/dbraw/zinc/10/86/76/379108676.db2.gz KCMBQEBQYIODAI-CQSZACIVSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)n1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000300404039 379163146 /nfs/dbraw/zinc/16/31/46/379163146.db2.gz XHZASFCXNSHOAE-CABCVRRESA-N 2 1 262.401 2.180 20 0 CEADMP CC(C)n1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000300404039 379163150 /nfs/dbraw/zinc/16/31/50/379163150.db2.gz XHZASFCXNSHOAE-CABCVRRESA-N 2 1 262.401 2.180 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(C)(C)CC ZINC000515068987 379184246 /nfs/dbraw/zinc/18/42/46/379184246.db2.gz QMYNJAQAHAESND-KGLIPLIRSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)CC ZINC000515068987 379184255 /nfs/dbraw/zinc/18/42/55/379184255.db2.gz QMYNJAQAHAESND-KGLIPLIRSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C(C)(C)CC ZINC000515068987 379184262 /nfs/dbraw/zinc/18/42/62/379184262.db2.gz QMYNJAQAHAESND-KGLIPLIRSA-N 2 1 256.434 2.200 20 0 CEADMP Cc1cc(NC(=O)NCC[N@@H+](C)C(C)C)cn2cc[nH+]c12 ZINC000455648941 379223405 /nfs/dbraw/zinc/22/34/05/379223405.db2.gz WZMBLNGINUYGON-UHFFFAOYSA-N 2 1 289.383 2.104 20 0 CEADMP Cc1cc(NC(=O)NCC[N@H+](C)C(C)C)cn2cc[nH+]c12 ZINC000455648941 379223410 /nfs/dbraw/zinc/22/34/10/379223410.db2.gz WZMBLNGINUYGON-UHFFFAOYSA-N 2 1 289.383 2.104 20 0 CEADMP CSC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000302485269 379380737 /nfs/dbraw/zinc/38/07/37/379380737.db2.gz TUZSKMSNKZAHEV-YHWZYXNKSA-N 2 1 254.443 2.487 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000266615342 190271402 /nfs/dbraw/zinc/27/14/02/190271402.db2.gz JJAJIPGEJYCGHO-CZUORRHYSA-N 2 1 280.387 2.133 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000266615342 190271403 /nfs/dbraw/zinc/27/14/03/190271403.db2.gz JJAJIPGEJYCGHO-CZUORRHYSA-N 2 1 280.387 2.133 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000266615342 190271404 /nfs/dbraw/zinc/27/14/04/190271404.db2.gz JJAJIPGEJYCGHO-CZUORRHYSA-N 2 1 280.387 2.133 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000266615342 190271405 /nfs/dbraw/zinc/27/14/05/190271405.db2.gz JJAJIPGEJYCGHO-CZUORRHYSA-N 2 1 280.387 2.133 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccccc3)nc2)CC[NH2+]1 ZINC000574619867 299511168 /nfs/dbraw/zinc/51/11/68/299511168.db2.gz MNEIJNFSNJPBHF-BBRMVZONSA-N 2 1 282.391 2.374 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cscn1 ZINC000278967137 194233786 /nfs/dbraw/zinc/23/37/86/194233786.db2.gz NBXKHOHLXYZFOL-QWRGUYRKSA-N 2 1 262.382 2.253 20 0 CEADMP C[C@H]1CCC[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000521643257 379538532 /nfs/dbraw/zinc/53/85/32/379538532.db2.gz AVWSTOAMDQOSGV-KBPBESRZSA-N 2 1 254.418 2.002 20 0 CEADMP c1nc2cc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)ccc2[nH]1 ZINC000520952309 379508539 /nfs/dbraw/zinc/50/85/39/379508539.db2.gz NXYRTMLRBVPVHI-CYBMUJFWSA-N 2 1 270.380 2.137 20 0 CEADMP c1nc2ccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc2[nH]1 ZINC000520952309 379508548 /nfs/dbraw/zinc/50/85/48/379508548.db2.gz NXYRTMLRBVPVHI-CYBMUJFWSA-N 2 1 270.380 2.137 20 0 CEADMP c1nc2ccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc2[nH]1 ZINC000520952309 379508557 /nfs/dbraw/zinc/50/85/57/379508557.db2.gz NXYRTMLRBVPVHI-CYBMUJFWSA-N 2 1 270.380 2.137 20 0 CEADMP Cc1cc(NCC[N@@H+]2CCO[C@H](C)C2)c2ccccc2[nH+]1 ZINC000523463084 379595740 /nfs/dbraw/zinc/59/57/40/379595740.db2.gz HLIJAUBEXMPNNW-CQSZACIVSA-N 2 1 285.391 2.098 20 0 CEADMP Cc1cc(NCC[N@H+]2CCO[C@H](C)C2)c2ccccc2[nH+]1 ZINC000523463084 379595746 /nfs/dbraw/zinc/59/57/46/379595746.db2.gz HLIJAUBEXMPNNW-CQSZACIVSA-N 2 1 285.391 2.098 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1CCO ZINC000305623567 379721310 /nfs/dbraw/zinc/72/13/10/379721310.db2.gz JDCURTZAJNBCRR-HNNXBMFYSA-N 2 1 265.401 2.209 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1CCO ZINC000305623567 379721315 /nfs/dbraw/zinc/72/13/15/379721315.db2.gz JDCURTZAJNBCRR-HNNXBMFYSA-N 2 1 265.401 2.209 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000305643373 379722728 /nfs/dbraw/zinc/72/27/28/379722728.db2.gz RDKGPZKVCCNHED-JKSUJKDBSA-N 2 1 277.412 2.209 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000305643373 379722738 /nfs/dbraw/zinc/72/27/38/379722738.db2.gz RDKGPZKVCCNHED-JKSUJKDBSA-N 2 1 277.412 2.209 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000305658878 379725483 /nfs/dbraw/zinc/72/54/83/379725483.db2.gz XFIIJXVHQCWWGS-CABCVRRESA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000305658878 379725489 /nfs/dbraw/zinc/72/54/89/379725489.db2.gz XFIIJXVHQCWWGS-CABCVRRESA-N 2 1 265.401 2.065 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(CO)c1 ZINC000305666670 379726211 /nfs/dbraw/zinc/72/62/11/379726211.db2.gz USBCFRLGMHITML-ZFWWWQNUSA-N 2 1 274.408 2.314 20 0 CEADMP CCC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)OCC ZINC000527741695 379805982 /nfs/dbraw/zinc/80/59/82/379805982.db2.gz APPJJQSWRBUSNI-SOUVJXGZSA-N 2 1 254.418 2.408 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)C1 ZINC000488457795 380096948 /nfs/dbraw/zinc/09/69/48/380096948.db2.gz HVZYNIHWTWFSLQ-HZSPNIEDSA-N 2 1 256.459 2.448 20 0 CEADMP CC[C@H](C)c1nc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC000488465523 380098755 /nfs/dbraw/zinc/09/87/55/380098755.db2.gz SZUSXCDKMWNLPC-ZDEQEGDKSA-N 2 1 279.432 2.452 20 0 CEADMP CC[C@H](C)c1nc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC000488465523 380098767 /nfs/dbraw/zinc/09/87/67/380098767.db2.gz SZUSXCDKMWNLPC-ZDEQEGDKSA-N 2 1 279.432 2.452 20 0 CEADMP C[C@H](C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C[NH+](C)C ZINC000491592315 380335632 /nfs/dbraw/zinc/33/56/32/380335632.db2.gz UFQODLGPOUFAGI-CYBMUJFWSA-N 2 1 290.386 2.299 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1(C(=O)OC)CCC1 ZINC000543707109 380336122 /nfs/dbraw/zinc/33/61/22/380336122.db2.gz QBXNBAPHUDLDFO-ZIAGYGMSSA-N 2 1 282.428 2.040 20 0 CEADMP C[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000279123034 194293539 /nfs/dbraw/zinc/29/35/39/194293539.db2.gz ARMTTYBJILFVFM-ZFWWWQNUSA-N 2 1 289.423 2.417 20 0 CEADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548392685 380509508 /nfs/dbraw/zinc/50/95/08/380509508.db2.gz GSEXFZQFYAUAIJ-GJZGRUSLSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H]1[C@H](C)[NH+](C)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548392685 380509511 /nfs/dbraw/zinc/50/95/11/380509511.db2.gz GSEXFZQFYAUAIJ-GJZGRUSLSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H]1[C@H](C)[NH+](C)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548392685 380509512 /nfs/dbraw/zinc/50/95/12/380509512.db2.gz GSEXFZQFYAUAIJ-GJZGRUSLSA-N 2 1 295.471 2.192 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2CCC(=O)CC2)CC1 ZINC000334584342 380636980 /nfs/dbraw/zinc/63/69/80/380636980.db2.gz VMXXEQIAZDFHMN-CQSZACIVSA-N 2 1 252.402 2.162 20 0 CEADMP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)C1([NH+]2CCCC2)CCOCC1 ZINC000549040920 380588480 /nfs/dbraw/zinc/58/84/80/380588480.db2.gz MQPNKJYCPLLGJK-XHSDSOJGSA-N 2 1 278.440 2.410 20 0 CEADMP CN1CCC[C@H]2C[N@@H+](CC3CCC(=O)CC3)CC[C@H]21 ZINC000334576451 380625467 /nfs/dbraw/zinc/62/54/67/380625467.db2.gz LALIZYKOKQLGTA-GOEBONIOSA-N 2 1 264.413 2.162 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](CC3CCC(=O)CC3)CC[C@H]21 ZINC000334576451 380625473 /nfs/dbraw/zinc/62/54/73/380625473.db2.gz LALIZYKOKQLGTA-GOEBONIOSA-N 2 1 264.413 2.162 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CC3CCC(=O)CC3)CC[C@H]21 ZINC000334576451 380625477 /nfs/dbraw/zinc/62/54/77/380625477.db2.gz LALIZYKOKQLGTA-GOEBONIOSA-N 2 1 264.413 2.162 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CC3CCC(=O)CC3)CC[C@H]21 ZINC000334576451 380625483 /nfs/dbraw/zinc/62/54/83/380625483.db2.gz LALIZYKOKQLGTA-GOEBONIOSA-N 2 1 264.413 2.162 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3CCC(=O)CC3)CC[C@H]21 ZINC000334576451 380625484 /nfs/dbraw/zinc/62/54/84/380625484.db2.gz LALIZYKOKQLGTA-GOEBONIOSA-N 2 1 264.413 2.162 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000552098982 380684226 /nfs/dbraw/zinc/68/42/26/380684226.db2.gz VIUMSCBLBYLEKZ-KKUMJFAQSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000552098982 380684229 /nfs/dbraw/zinc/68/42/29/380684229.db2.gz VIUMSCBLBYLEKZ-KKUMJFAQSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000552100492 380684297 /nfs/dbraw/zinc/68/42/97/380684297.db2.gz KOGMMXUINQKWOO-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000552100492 380684301 /nfs/dbraw/zinc/68/43/01/380684301.db2.gz KOGMMXUINQKWOO-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC12CCOCC2 ZINC000554558053 380781558 /nfs/dbraw/zinc/78/15/58/380781558.db2.gz ZVCHIBWNQAAJGO-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH+](C)C1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000182237565 542280209 /nfs/dbraw/zinc/28/02/09/542280209.db2.gz UNWSXMOJQAGAMC-QGZVFWFLSA-N 2 1 276.424 2.006 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cncc(Br)c2)CC[NH2+]1 ZINC000334869935 207217991 /nfs/dbraw/zinc/21/79/91/207217991.db2.gz RRDIWHPVGWDXCW-SKDRFNHKSA-N 2 1 284.201 2.074 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000334871661 207219237 /nfs/dbraw/zinc/21/92/37/207219237.db2.gz ZAIBNTNBEYYPAY-HOTGVXAUSA-N 2 1 259.397 2.354 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4cnccc43)C[C@@H]2C1 ZINC000194535120 542361142 /nfs/dbraw/zinc/36/11/42/542361142.db2.gz WXMAOITYNZFPEY-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4cnccc43)C[C@@H]2C1 ZINC000194535120 542361144 /nfs/dbraw/zinc/36/11/44/542361144.db2.gz WXMAOITYNZFPEY-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc4cnccc43)C[C@@H]2C1 ZINC000194535120 542361147 /nfs/dbraw/zinc/36/11/47/542361147.db2.gz WXMAOITYNZFPEY-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000337356378 285012531 /nfs/dbraw/zinc/01/25/31/285012531.db2.gz AOQBWNPSIUXNCV-BMFZPTHFSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCCC[C@@H]1C ZINC000351637912 285081521 /nfs/dbraw/zinc/08/15/21/285081521.db2.gz WLFOXVWMMUINAY-IMJJTQAJSA-N 2 1 268.445 2.342 20 0 CEADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCCC[C@@H]1C ZINC000351637912 285081522 /nfs/dbraw/zinc/08/15/22/285081522.db2.gz WLFOXVWMMUINAY-IMJJTQAJSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCCC[C@@H]1C ZINC000351637912 285081523 /nfs/dbraw/zinc/08/15/23/285081523.db2.gz WLFOXVWMMUINAY-IMJJTQAJSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCCC[C@@H]1C ZINC000351637912 285081524 /nfs/dbraw/zinc/08/15/24/285081524.db2.gz WLFOXVWMMUINAY-IMJJTQAJSA-N 2 1 268.445 2.342 20 0 CEADMP O[C@H](C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)C1CCCCC1 ZINC000368972581 285354140 /nfs/dbraw/zinc/35/41/40/285354140.db2.gz GEQLIQYATRJRSW-XMTFNYHQSA-N 2 1 292.467 2.344 20 0 CEADMP O[C@H](C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)C1CCCCC1 ZINC000368972581 285354143 /nfs/dbraw/zinc/35/41/43/285354143.db2.gz GEQLIQYATRJRSW-XMTFNYHQSA-N 2 1 292.467 2.344 20 0 CEADMP O[C@H](C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)C1CCCCC1 ZINC000368972581 285354144 /nfs/dbraw/zinc/35/41/44/285354144.db2.gz GEQLIQYATRJRSW-XMTFNYHQSA-N 2 1 292.467 2.344 20 0 CEADMP C[C@@H](C(=O)NCC[NH+]1CCC(C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000122250637 533258362 /nfs/dbraw/zinc/25/83/62/533258362.db2.gz BQCJLNNOWCQSGG-XHSDSOJGSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000226407174 394471624 /nfs/dbraw/zinc/47/16/24/394471624.db2.gz NBEOZCHQEZUHDY-GOEBONIOSA-N 2 1 291.439 2.171 20 0 CEADMP CCC[N@H+](CCC[NH3+])[C@@H](C)C(=O)Nc1ccccc1 ZINC000037299550 394496778 /nfs/dbraw/zinc/49/67/78/394496778.db2.gz WLWGRXIFKJABGM-ZDUSSCGKSA-N 2 1 263.385 2.074 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)C(=O)Nc1ccccc1 ZINC000037299550 394496783 /nfs/dbraw/zinc/49/67/83/394496783.db2.gz WLWGRXIFKJABGM-ZDUSSCGKSA-N 2 1 263.385 2.074 20 0 CEADMP C[C@@H]1CCC[N@H+]1C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000305700465 394509528 /nfs/dbraw/zinc/50/95/28/394509528.db2.gz WBSDMKGXWCMIIZ-FVQBIDKESA-N 2 1 266.429 2.239 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCOC1 ZINC000247129146 394527054 /nfs/dbraw/zinc/52/70/54/394527054.db2.gz ROYPYCOTURTYEY-FZKCQIBNSA-N 2 1 268.445 2.369 20 0 CEADMP CCC(C)(C)OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000308542952 394528017 /nfs/dbraw/zinc/52/80/17/394528017.db2.gz LWBGSYKOEHKQKV-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)(C)OC(=O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308587918 394528924 /nfs/dbraw/zinc/52/89/24/394528924.db2.gz RIUKMHYRWVPXIX-UHFFFAOYSA-N 2 1 270.417 2.182 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2CCO[C@H](C(F)(F)F)C2)C[C@@]1(C)C[NH3+] ZINC000311359298 394537606 /nfs/dbraw/zinc/53/76/06/394537606.db2.gz GFMQLRAACLRNKS-WISYIIOYSA-N 2 1 280.334 2.013 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000249082765 394552095 /nfs/dbraw/zinc/55/20/95/394552095.db2.gz HURCKOTWQMBEDA-KFWWJZLASA-N 2 1 254.418 2.121 20 0 CEADMP c1cnc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000421818695 394604602 /nfs/dbraw/zinc/60/46/02/394604602.db2.gz CBLGWPZLOVHFBB-GOEBONIOSA-N 2 1 285.435 2.403 20 0 CEADMP c1cnc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000421818697 394604981 /nfs/dbraw/zinc/60/49/81/394604981.db2.gz CBLGWPZLOVHFBB-ZBFHGGJFSA-N 2 1 285.435 2.403 20 0 CEADMP COc1ccc2c(c1)C[N@@H+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000261968609 394610415 /nfs/dbraw/zinc/61/04/15/394610415.db2.gz HZYZQPNFPDMQBU-INIZCTEOSA-N 2 1 260.381 2.053 20 0 CEADMP COc1ccc2c(c1)C[N@H+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000261968609 394610418 /nfs/dbraw/zinc/61/04/18/394610418.db2.gz HZYZQPNFPDMQBU-INIZCTEOSA-N 2 1 260.381 2.053 20 0 CEADMP CC(C)[N@H+](C)CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356828378 394624904 /nfs/dbraw/zinc/62/49/04/394624904.db2.gz ANLIDBCNFKLBED-UHFFFAOYSA-N 2 1 295.393 2.333 20 0 CEADMP CC(C)[N@@H+](C)CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356828378 394624905 /nfs/dbraw/zinc/62/49/05/394624905.db2.gz ANLIDBCNFKLBED-UHFFFAOYSA-N 2 1 295.393 2.333 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CC12CCSCC2 ZINC000421890518 394628848 /nfs/dbraw/zinc/62/88/48/394628848.db2.gz VKCJQSGMKIGXFZ-MGPQQGTHSA-N 2 1 268.470 2.450 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C[C@H]1C ZINC000356849685 394631324 /nfs/dbraw/zinc/63/13/24/394631324.db2.gz VIENXVGPIHBCKE-KFWWJZLASA-N 2 1 297.487 2.484 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356907440 394649331 /nfs/dbraw/zinc/64/93/31/394649331.db2.gz XAEBVEWEEJFSAZ-ZFWWWQNUSA-N 2 1 265.401 2.376 20 0 CEADMP C[C@@H](NC[C@H](C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422713896 394734829 /nfs/dbraw/zinc/73/48/29/394734829.db2.gz KMZBCDPEUMIZQE-DAYGRLMNSA-N 2 1 287.451 2.163 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422717887 394737889 /nfs/dbraw/zinc/73/78/89/394737889.db2.gz KUGIJUCYLRFAAY-YESZJQIVSA-N 3 1 290.455 2.482 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000422718644 394738352 /nfs/dbraw/zinc/73/83/52/394738352.db2.gz XDYBVGCFUHSNCX-NVXWUHKLSA-N 2 1 276.424 2.223 20 0 CEADMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@H]1CCCO1 ZINC000359084805 394740208 /nfs/dbraw/zinc/74/02/08/394740208.db2.gz RUHNZDJIHIBALD-XSCHDIRWSA-N 2 1 252.402 2.160 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000414057135 394688304 /nfs/dbraw/zinc/68/83/04/394688304.db2.gz FHJOTEGQYRCRGK-ZFWWWQNUSA-N 2 1 289.423 2.095 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000414064401 394691656 /nfs/dbraw/zinc/69/16/56/394691656.db2.gz FRMFNNVCEVSBPL-NUEKZKHPSA-N 2 1 289.423 2.238 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cn1 ZINC000414064401 394691658 /nfs/dbraw/zinc/69/16/58/394691658.db2.gz FRMFNNVCEVSBPL-NUEKZKHPSA-N 2 1 289.423 2.238 20 0 CEADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)[C@H]1C[C@H]1C ZINC000414066997 394692436 /nfs/dbraw/zinc/69/24/36/394692436.db2.gz PYASNVSCWIOADF-IKGGRYGDSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@H]1SCC[N@@H+](CCOCC[NH3+])[C@H]1c1ccccc1 ZINC000357078096 394695131 /nfs/dbraw/zinc/69/51/31/394695131.db2.gz AZIHZAIHSHGLHL-UKRRQHHQSA-N 2 1 280.437 2.140 20 0 CEADMP CC(C)n1ccnc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357089377 394695255 /nfs/dbraw/zinc/69/52/55/394695255.db2.gz PMKPGAMIPMFFJW-HNNXBMFYSA-N 2 1 276.428 2.286 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(OC)nc2)C1 ZINC000414079175 394697014 /nfs/dbraw/zinc/69/70/14/394697014.db2.gz SNKBNWWQJIQPNL-GDBMZVCRSA-N 2 1 291.439 2.343 20 0 CEADMP CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000357850149 394704217 /nfs/dbraw/zinc/70/42/17/394704217.db2.gz MNZXTUFIVXQZCQ-JKSUJKDBSA-N 3 1 279.472 2.325 20 0 CEADMP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000357850149 394704222 /nfs/dbraw/zinc/70/42/22/394704222.db2.gz MNZXTUFIVXQZCQ-JKSUJKDBSA-N 3 1 279.472 2.325 20 0 CEADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000357850149 394704227 /nfs/dbraw/zinc/70/42/27/394704227.db2.gz MNZXTUFIVXQZCQ-JKSUJKDBSA-N 3 1 279.472 2.325 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000422733152 394746643 /nfs/dbraw/zinc/74/66/43/394746643.db2.gz QRCFBWVBIXOYMD-XYPHTWIQSA-N 2 1 293.430 2.406 20 0 CEADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H]1C[C@@H]1C ZINC000414114252 394706476 /nfs/dbraw/zinc/70/64/76/394706476.db2.gz LKMQWSIDQCAMHS-UAGQMJEPSA-N 2 1 281.488 2.284 20 0 CEADMP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC000358125960 394710088 /nfs/dbraw/zinc/71/00/88/394710088.db2.gz ZOMZBCULRSKYAJ-FXUDXRNXSA-N 2 1 268.445 2.103 20 0 CEADMP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC000358125960 394710090 /nfs/dbraw/zinc/71/00/90/394710090.db2.gz ZOMZBCULRSKYAJ-FXUDXRNXSA-N 2 1 268.445 2.103 20 0 CEADMP Cc1ccn2c(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cnc2c1 ZINC000422562055 394711403 /nfs/dbraw/zinc/71/14/03/394711403.db2.gz PDCHLFMQUYFOMG-KFWWJZLASA-N 2 1 286.423 2.448 20 0 CEADMP CCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)n1 ZINC000422561819 394711850 /nfs/dbraw/zinc/71/18/50/394711850.db2.gz NMIGARLGBTUPRK-MJBXVCDLSA-N 2 1 277.412 2.286 20 0 CEADMP CCOc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)n1 ZINC000422561819 394711852 /nfs/dbraw/zinc/71/18/52/394711852.db2.gz NMIGARLGBTUPRK-MJBXVCDLSA-N 2 1 277.412 2.286 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CN[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422734817 394747322 /nfs/dbraw/zinc/74/73/22/394747322.db2.gz CZMXCQXWZABQLA-YOEHRIQHSA-N 2 1 275.440 2.226 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000414169218 394721165 /nfs/dbraw/zinc/72/11/65/394721165.db2.gz AUYOLTBJMHAZIO-KGLIPLIRSA-N 2 1 264.417 2.286 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414168499 394721307 /nfs/dbraw/zinc/72/13/07/394721307.db2.gz AEOVKHOEGNUCLO-OCCSQVGLSA-N 2 1 264.417 2.111 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414170553 394721516 /nfs/dbraw/zinc/72/15/16/394721516.db2.gz CABGHHWJJRLUHO-CVEARBPZSA-N 2 1 278.444 2.229 20 0 CEADMP COC(=O)c1ccccc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422638232 394722175 /nfs/dbraw/zinc/72/21/75/394722175.db2.gz PZNZEWBDZJWSBF-NFAWXSAZSA-N 2 1 290.407 2.278 20 0 CEADMP COC(=O)c1ccccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422638232 394722176 /nfs/dbraw/zinc/72/21/76/394722176.db2.gz PZNZEWBDZJWSBF-NFAWXSAZSA-N 2 1 290.407 2.278 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H](N3CCCC3)C2)CC[NH2+]1 ZINC000414690088 394747974 /nfs/dbraw/zinc/74/79/74/394747974.db2.gz HSFQZJAVZWRNAX-BRWVUGGUSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1C[C@H](CN2CCCC[C@@H]([NH+]3CCCC3)C2)CC[NH2+]1 ZINC000414690088 394747977 /nfs/dbraw/zinc/74/79/77/394747977.db2.gz HSFQZJAVZWRNAX-BRWVUGGUSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H]([NH2+]CCc1c(F)cccc1F)[C@H]1CCC[NH2+]1 ZINC000422696803 394724332 /nfs/dbraw/zinc/72/43/32/394724332.db2.gz SLNHWVGRDLDHLP-IINYFYTJSA-N 2 1 254.324 2.237 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000422693499 394724638 /nfs/dbraw/zinc/72/46/38/394724638.db2.gz LXGAHJCZAZDWHP-IINYFYTJSA-N 2 1 254.324 2.095 20 0 CEADMP Cn1ccnc1[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414182632 394724806 /nfs/dbraw/zinc/72/48/06/394724806.db2.gz NAYLEDZTZOUWDD-UKRRQHHQSA-N 2 1 276.428 2.193 20 0 CEADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccn(C)n1 ZINC000414199376 394729082 /nfs/dbraw/zinc/72/90/82/394729082.db2.gz WVNQFKNBNYMKIF-UONOGXRCSA-N 2 1 264.417 2.193 20 0 CEADMP C[C@H]([NH2+]Cc1cc(F)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000414822563 394751956 /nfs/dbraw/zinc/75/19/56/394751956.db2.gz AMIKSNVPPXSKPP-QWRGUYRKSA-N 2 1 254.324 2.443 20 0 CEADMP C[NH2+]CC[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000414823697 394753750 /nfs/dbraw/zinc/75/37/50/394753750.db2.gz ITJHSCFJPVIXQJ-SNVBAGLBSA-N 2 1 271.202 2.362 20 0 CEADMP C[NH2+]CC[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000414823695 394753924 /nfs/dbraw/zinc/75/39/24/394753924.db2.gz ITJHSCFJPVIXQJ-JTQLQIEISA-N 2 1 271.202 2.362 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)c2c[nH+]ccc2N(C)C)c1 ZINC000422747419 394756344 /nfs/dbraw/zinc/75/63/44/394756344.db2.gz YOHPUDKVEBMJCY-UHFFFAOYSA-N 2 1 284.363 2.119 20 0 CEADMP C[C@@H]([NH2+]CCOc1ccccc1F)c1c[nH+]ccc1N ZINC000422758155 394762958 /nfs/dbraw/zinc/76/29/58/394762958.db2.gz NPNIIGDSCPATOD-LLVKDONJSA-N 2 1 275.327 2.363 20 0 CEADMP C[C@@H]([NH2+]CCN1c2ccccc2C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422759870 394764564 /nfs/dbraw/zinc/76/45/64/394764564.db2.gz KHJUMLIHVPHYNE-IIAWOOMASA-N 2 1 273.424 2.168 20 0 CEADMP CCc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000414848283 394769636 /nfs/dbraw/zinc/76/96/36/394769636.db2.gz GIJLEQJBUVQRFR-GHMZBOCLSA-N 2 1 253.415 2.183 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000422773273 394774153 /nfs/dbraw/zinc/77/41/53/394774153.db2.gz ZQFRHSHNUXSCPC-KFWWJZLASA-N 3 1 255.450 2.214 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000422773273 394774155 /nfs/dbraw/zinc/77/41/55/394774155.db2.gz ZQFRHSHNUXSCPC-KFWWJZLASA-N 3 1 255.450 2.214 20 0 CEADMP C[C@@H]([NH2+]CCOC1CCCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422772579 394774362 /nfs/dbraw/zinc/77/43/62/394774362.db2.gz ZLGTZZMQFIURAE-HIFRSBDPSA-N 2 1 254.418 2.456 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C12CCC2 ZINC000422775667 394775544 /nfs/dbraw/zinc/77/55/44/394775544.db2.gz BBLDLFZKJPBIIN-RFQIPJPRSA-N 2 1 252.402 2.064 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000414863329 394776881 /nfs/dbraw/zinc/77/68/81/394776881.db2.gz IKONGGTZBIAXRB-HIFRSBDPSA-N 2 1 262.397 2.358 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1C[NH2+]C1 ZINC000422840191 394823658 /nfs/dbraw/zinc/82/36/58/394823658.db2.gz SFWXWJKBUJQZQJ-VKJFTORMSA-N 2 1 287.451 2.237 20 0 CEADMP c1cncc(C[NH2+]CCC[NH2+][C@H]2CCCSC2)c1 ZINC000414873197 394782137 /nfs/dbraw/zinc/78/21/37/394782137.db2.gz GWFISRFLZOKYIS-AWEZNQCLSA-N 2 1 265.426 2.047 20 0 CEADMP C[C@@H](NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422784590 394782535 /nfs/dbraw/zinc/78/25/35/394782535.db2.gz PXAWVSTZJNQFCB-QAPCUYQASA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)C1C[NH2+]C1 ZINC000422784590 394782539 /nfs/dbraw/zinc/78/25/39/394782539.db2.gz PXAWVSTZJNQFCB-QAPCUYQASA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422785967 394783640 /nfs/dbraw/zinc/78/36/40/394783640.db2.gz PWNKAXBJZNPSKH-OIISXLGYSA-N 2 1 276.424 2.273 20 0 CEADMP CCCn1c(C[NH2+][C@@H](C)CC[NH3+])nc2ccccc21 ZINC000414880404 394785147 /nfs/dbraw/zinc/78/51/47/394785147.db2.gz JSMXQPGLMWKTSJ-LBPRGKRZSA-N 2 1 260.385 2.273 20 0 CEADMP CCOc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1F ZINC000414885287 394787483 /nfs/dbraw/zinc/78/74/83/394787483.db2.gz WSDWCGAMCRKCMC-UHFFFAOYSA-N 2 1 252.333 2.195 20 0 CEADMP C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C1C[NH2+]C1 ZINC000422791663 394788994 /nfs/dbraw/zinc/78/89/94/394788994.db2.gz QMNXBUWPIFBUIC-OAHLLOKOSA-N 2 1 287.451 2.370 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H](C)CCC[NH3+])[NH+]1CCC(C)CC1 ZINC000422842235 394824370 /nfs/dbraw/zinc/82/43/70/394824370.db2.gz FLVTUUXSTUUQLD-HOTGVXAUSA-N 3 1 269.477 2.460 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000414890940 394791499 /nfs/dbraw/zinc/79/14/99/394791499.db2.gz NLADPKVWPRRMTO-BHYGNILZSA-N 2 1 273.424 2.164 20 0 CEADMP COc1cc(C[NH2+]CC2([NH3+])CCC2)cc(Cl)c1OC ZINC000414892176 394791519 /nfs/dbraw/zinc/79/15/19/394791519.db2.gz WSTYHGWVBDANPB-UHFFFAOYSA-N 2 1 284.787 2.328 20 0 CEADMP Cc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422794702 394791630 /nfs/dbraw/zinc/79/16/30/394791630.db2.gz URCHDTUUYZDVJH-KKUMJFAQSA-N 2 1 262.397 2.492 20 0 CEADMP [NH3+][C@H](C[NH2+]C/C=C\c1ccc(F)cc1F)C1CC1 ZINC000414895676 394793477 /nfs/dbraw/zinc/79/34/77/394793477.db2.gz YOEOSYXBIQGLNV-DDGIKZQJSA-N 2 1 252.308 2.305 20 0 CEADMP [NH3+][C@H](C[NH2+]C/C=C/c1ccc(F)cc1F)C1CC1 ZINC000414895677 394793784 /nfs/dbraw/zinc/79/37/84/394793784.db2.gz YOEOSYXBIQGLNV-VSZDKKFSSA-N 2 1 252.308 2.305 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422801074 394795810 /nfs/dbraw/zinc/79/58/10/394795810.db2.gz BCHMUGRIXKIUEK-OLZOCXBDSA-N 2 1 265.401 2.189 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1Cl ZINC000414903275 394796957 /nfs/dbraw/zinc/79/69/57/394796957.db2.gz ZMCDSGXUZBKKEL-LBPRGKRZSA-N 2 1 254.761 2.176 20 0 CEADMP CC[C@H](CN[C@H](C)C1C[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000422808593 394802148 /nfs/dbraw/zinc/80/21/48/394802148.db2.gz OOJMEOUYXURZLD-RDTXWAMCSA-N 2 1 287.451 2.021 20 0 CEADMP CC[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)N1CCc2ccccc2C1 ZINC000422808593 394802152 /nfs/dbraw/zinc/80/21/52/394802152.db2.gz OOJMEOUYXURZLD-RDTXWAMCSA-N 2 1 287.451 2.021 20 0 CEADMP CC[C@H](CN[C@H]1CCC[C@@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422810662 394803372 /nfs/dbraw/zinc/80/33/72/394803372.db2.gz SCTSSBWAESTVDC-SQNIBIBYSA-N 2 1 287.451 2.293 20 0 CEADMP CC[C@H](CN[C@H]1CCC[C@@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422810662 394803375 /nfs/dbraw/zinc/80/33/75/394803375.db2.gz SCTSSBWAESTVDC-SQNIBIBYSA-N 2 1 287.451 2.293 20 0 CEADMP CCOCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000121817485 394804247 /nfs/dbraw/zinc/80/42/47/394804247.db2.gz PEXYJZLAKHBQDS-HNNXBMFYSA-N 2 1 254.418 2.363 20 0 CEADMP CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000422820606 394810728 /nfs/dbraw/zinc/81/07/28/394810728.db2.gz RKDZKEFHGOOWMK-LXTVHRRPSA-N 2 1 286.485 2.407 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000414940825 394814352 /nfs/dbraw/zinc/81/43/52/394814352.db2.gz YBNKBBHQSVRBEP-IPYPFGDCSA-N 2 1 260.381 2.140 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000414945799 394816478 /nfs/dbraw/zinc/81/64/78/394816478.db2.gz IWRWZQKWRNVMPW-PWSUYJOCSA-N 2 1 252.333 2.064 20 0 CEADMP C[C@@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422830150 394817494 /nfs/dbraw/zinc/81/74/94/394817494.db2.gz IFFKYGFMHOLTSH-KBAYOESNSA-N 2 1 287.451 2.381 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000414757483 394750500 /nfs/dbraw/zinc/75/05/00/394750500.db2.gz LFNBRSGSTYZWCR-MSOLQXFVSA-N 2 1 290.451 2.429 20 0 CEADMP C[C@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)CC1CCOCC1 ZINC000415052084 394864636 /nfs/dbraw/zinc/86/46/36/394864636.db2.gz HFHSEZXMPUPSDJ-JSGCOSHPSA-N 2 1 256.434 2.402 20 0 CEADMP COc1cc(C)c(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1OC ZINC000415052099 394865729 /nfs/dbraw/zinc/86/57/29/394865729.db2.gz HJAKKSYHSGLWQI-OAHLLOKOSA-N 2 1 280.412 2.475 20 0 CEADMP CC(C)n1nccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415057883 394866984 /nfs/dbraw/zinc/86/69/84/394866984.db2.gz UZCSBNVZTZMAFM-HOCLYGCPSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415057883 394866986 /nfs/dbraw/zinc/86/69/86/394866986.db2.gz UZCSBNVZTZMAFM-HOCLYGCPSA-N 2 1 276.428 2.428 20 0 CEADMP Cc1ccsc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415061079 394869740 /nfs/dbraw/zinc/86/97/40/394869740.db2.gz XUHCNPPIPRLYBM-UHFFFAOYSA-N 2 1 293.480 2.363 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC1CCOCC1 ZINC000336790006 394872136 /nfs/dbraw/zinc/87/21/36/394872136.db2.gz VLPIXKSJWJDVCK-VNHYZAJKSA-N 2 1 254.418 2.121 20 0 CEADMP Fc1ccc(-n2cc(C[NH2+]CCC[NH2+]C3CC3)cn2)cc1 ZINC000415066876 394872277 /nfs/dbraw/zinc/87/22/77/394872277.db2.gz JNAJMJZOKOSNKL-UHFFFAOYSA-N 2 1 288.370 2.243 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](CCO)c1ccccc1 ZINC000415066299 394872507 /nfs/dbraw/zinc/87/25/07/394872507.db2.gz AITHGOHLIXDMJK-HUUCEWRRSA-N 2 1 250.386 2.073 20 0 CEADMP C[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C[C@H](O)C[NH3+] ZINC000415068600 394873283 /nfs/dbraw/zinc/87/32/83/394873283.db2.gz NFOGPURETFFTFH-LLVKDONJSA-N 2 1 296.720 2.110 20 0 CEADMP C[N@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C[C@H](O)C[NH3+] ZINC000415068600 394873287 /nfs/dbraw/zinc/87/32/87/394873287.db2.gz NFOGPURETFFTFH-LLVKDONJSA-N 2 1 296.720 2.110 20 0 CEADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415073896 394876040 /nfs/dbraw/zinc/87/60/40/394876040.db2.gz ZCRNTSIEBGZSJZ-RHSMWYFYSA-N 2 1 292.467 2.414 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000415079985 394879411 /nfs/dbraw/zinc/87/94/11/394879411.db2.gz IYVXSXDKBPTFDA-MRXNPFEDSA-N 3 1 267.461 2.086 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)[nH+]1 ZINC000415090423 394885771 /nfs/dbraw/zinc/88/57/71/394885771.db2.gz ORYNDNSNDTWDGS-OAHLLOKOSA-N 3 1 288.439 2.091 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000414968473 394830457 /nfs/dbraw/zinc/83/04/57/394830457.db2.gz CRGNLAQOGWDLIK-DAWZGUTISA-N 2 1 287.451 2.206 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000422854763 394830569 /nfs/dbraw/zinc/83/05/69/394830569.db2.gz BNMWQOFITVSJQE-DZKIICNBSA-N 2 1 265.445 2.110 20 0 CEADMP CC[C@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422854682 394830895 /nfs/dbraw/zinc/83/08/95/394830895.db2.gz BEWLWEQZTQEUSB-KBMXLJTQSA-N 2 1 265.445 2.124 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000414971423 394831898 /nfs/dbraw/zinc/83/18/98/394831898.db2.gz LEMPBIZQWMSIEW-CQSZACIVSA-N 2 1 264.417 2.250 20 0 CEADMP CC[NH+](CCCCC[N@H+](CC)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000361587927 394833228 /nfs/dbraw/zinc/83/32/28/394833228.db2.gz LFKJGHWRVVDQRG-IRXDYDNUSA-N 2 1 298.471 2.378 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000422858940 394833898 /nfs/dbraw/zinc/83/38/98/394833898.db2.gz GTQNIPGNHXMJPB-PNDGYWDASA-N 2 1 277.456 2.122 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CN1C1CC1 ZINC000422858940 394833900 /nfs/dbraw/zinc/83/39/00/394833900.db2.gz GTQNIPGNHXMJPB-PNDGYWDASA-N 2 1 277.456 2.122 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCCC[C@@H]1C ZINC000422860007 394835307 /nfs/dbraw/zinc/83/53/07/394835307.db2.gz KXHRHPCRZOHBEG-JPIQDLEPSA-N 2 1 265.445 2.122 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1F ZINC000414980911 394836011 /nfs/dbraw/zinc/83/60/11/394836011.db2.gz XHWBJEQUOLFTJV-AWEZNQCLSA-N 2 1 266.360 2.312 20 0 CEADMP CC(C)C[C@@H](C[NH2+]C[C@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000414983112 394836803 /nfs/dbraw/zinc/83/68/03/394836803.db2.gz ZWGHOEXZTRUUKZ-ZWKOTPCHSA-N 2 1 289.467 2.310 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000422868666 394839137 /nfs/dbraw/zinc/83/91/37/394839137.db2.gz VHOMJYYZRGHQJK-KKBFJZEXSA-N 2 1 287.451 2.160 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000422869527 394840795 /nfs/dbraw/zinc/84/07/95/394840795.db2.gz ANDOWDMPCNAKQW-LMSBXDPUSA-N 2 1 287.451 2.237 20 0 CEADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422872825 394841132 /nfs/dbraw/zinc/84/11/32/394841132.db2.gz IUEKGBAKTWQCOD-SNVBAGLBSA-N 2 1 270.323 2.294 20 0 CEADMP C[C@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422878040 394844631 /nfs/dbraw/zinc/84/46/31/394844631.db2.gz ISKHGHVTDBBEKE-FZKCQIBNSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422877626 394844704 /nfs/dbraw/zinc/84/47/04/394844704.db2.gz IJNQPYNPUPKDOD-LEOABGAYSA-N 2 1 267.461 2.083 20 0 CEADMP COc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1OC(C)C ZINC000415005607 394845308 /nfs/dbraw/zinc/84/53/08/394845308.db2.gz JGGVCLRYXAEKLC-NEPJUHHUSA-N 2 1 266.385 2.308 20 0 CEADMP COCc1cccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422887424 394850399 /nfs/dbraw/zinc/85/03/99/394850399.db2.gz YPLSXXBSTMEHTM-LBPRGKRZSA-N 2 1 271.364 2.491 20 0 CEADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000422888126 394851157 /nfs/dbraw/zinc/85/11/57/394851157.db2.gz MDKLGHHDIQABQE-JKSUJKDBSA-N 2 1 284.407 2.459 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)C1C[NH2+]C1 ZINC000422889504 394851935 /nfs/dbraw/zinc/85/19/35/394851935.db2.gz GHMISGSXQNQKFJ-AWEZNQCLSA-N 2 1 288.439 2.160 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422902870 394855971 /nfs/dbraw/zinc/85/59/71/394855971.db2.gz DVAVUNHLERXRFX-OAGGEKHMSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cncs1 ZINC000128980816 394856713 /nfs/dbraw/zinc/85/67/13/394856713.db2.gz PQEALVWCDPEPNW-WDEREUQCSA-N 2 1 251.399 2.278 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cncs1 ZINC000128980816 394856716 /nfs/dbraw/zinc/85/67/16/394856716.db2.gz PQEALVWCDPEPNW-WDEREUQCSA-N 2 1 251.399 2.278 20 0 CEADMP COc1cccc(OCCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422915317 394861249 /nfs/dbraw/zinc/86/12/49/394861249.db2.gz ATLXADZTELAZJR-CZUORRHYSA-N 2 1 278.396 2.052 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)C1CCCC1 ZINC000415044139 394861763 /nfs/dbraw/zinc/86/17/63/394861763.db2.gz BGIIEBDLUYFMOI-CYBMUJFWSA-N 2 1 293.377 2.120 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@H]([NH3+])C2CC2)C[C@H]1c1ccccc1 ZINC000423335181 394890125 /nfs/dbraw/zinc/89/01/25/394890125.db2.gz WYJVZXVHSXRIJI-ULQDDVLXSA-N 2 1 273.424 2.149 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1O ZINC000423348109 394895846 /nfs/dbraw/zinc/89/58/46/394895846.db2.gz SMSMCPWTOKBWQL-BLLLJJGKSA-N 2 1 278.396 2.441 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH2+]CCNC(=O)c1ccccc1Cl ZINC000415121721 394896401 /nfs/dbraw/zinc/89/64/01/394896401.db2.gz ZJLVTDPHOFWEKH-LBPRGKRZSA-N 2 1 297.830 2.033 20 0 CEADMP COCCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415125405 394897605 /nfs/dbraw/zinc/89/76/05/394897605.db2.gz LDRILHJTWXFUOK-HOCLYGCPSA-N 2 1 292.423 2.129 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000423355167 394899267 /nfs/dbraw/zinc/89/92/67/394899267.db2.gz HPEQIJKGSRUPDF-KFWWJZLASA-N 2 1 266.429 2.456 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000415139036 394902348 /nfs/dbraw/zinc/90/23/48/394902348.db2.gz WMKPJFISTSHVRH-UHFFFAOYSA-N 2 1 272.396 2.426 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000415139036 394902353 /nfs/dbraw/zinc/90/23/53/394902353.db2.gz WMKPJFISTSHVRH-UHFFFAOYSA-N 2 1 272.396 2.426 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423369549 394904776 /nfs/dbraw/zinc/90/47/76/394904776.db2.gz FCMKHPGZPJBMNN-CYBMUJFWSA-N 2 1 277.412 2.168 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000364465077 394907306 /nfs/dbraw/zinc/90/73/06/394907306.db2.gz ZUBBPDJNHIBAMQ-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)CC1CCCC1)CC2 ZINC000364521908 394912251 /nfs/dbraw/zinc/91/22/51/394912251.db2.gz ZBKSESIBJICGGT-MRXNPFEDSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)CC1CCCC1)CC2 ZINC000364521908 394912254 /nfs/dbraw/zinc/91/22/54/394912254.db2.gz ZBKSESIBJICGGT-MRXNPFEDSA-N 2 1 280.456 2.488 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423458706 394925914 /nfs/dbraw/zinc/92/59/14/394925914.db2.gz HBMCRGCLBNOPBJ-JSGCOSHPSA-N 2 1 258.369 2.260 20 0 CEADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCN2C)cc1 ZINC000423481402 394930272 /nfs/dbraw/zinc/93/02/72/394930272.db2.gz QKIXCMAVPBSFKZ-HOCLYGCPSA-N 2 1 291.439 2.028 20 0 CEADMP Cc1cc(N)cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000423489640 394933476 /nfs/dbraw/zinc/93/34/76/394933476.db2.gz WPQXEILWYZUTOF-DVOMOZLQSA-N 2 1 261.413 2.396 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc21 ZINC000423490537 394934264 /nfs/dbraw/zinc/93/42/64/394934264.db2.gz HXPPCRQXFUJSLV-WWGRRREGSA-N 2 1 260.381 2.203 20 0 CEADMP Cc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CC2)cc1 ZINC000423492710 394935478 /nfs/dbraw/zinc/93/54/78/394935478.db2.gz OILSDSWUWVYJCY-SJORKVTESA-N 2 1 274.408 2.414 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(OC)c1 ZINC000423500885 394936938 /nfs/dbraw/zinc/93/69/38/394936938.db2.gz DEGWGYOCWHCETL-JKSUJKDBSA-N 2 1 278.396 2.114 20 0 CEADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C1 ZINC000423503327 394938487 /nfs/dbraw/zinc/93/84/87/394938487.db2.gz FLEACIDCTFZLET-PMPSAXMXSA-N 2 1 267.461 2.085 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(OC)cc1 ZINC000423505968 394939145 /nfs/dbraw/zinc/93/91/45/394939145.db2.gz GVHUVBPYPLACDM-JKSUJKDBSA-N 2 1 278.396 2.114 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C[C@@]1(C)C[NH3+] ZINC000423505253 394939602 /nfs/dbraw/zinc/93/96/02/394939602.db2.gz GWRYQCFYVWCWKP-YIDVYQOGSA-N 2 1 278.440 2.251 20 0 CEADMP C[C@H](Cc1ccoc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423508271 394940292 /nfs/dbraw/zinc/94/02/92/394940292.db2.gz KPMOTPJLJQVUDR-ODIFPOPNSA-N 2 1 291.439 2.017 20 0 CEADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000423550532 394949973 /nfs/dbraw/zinc/94/99/73/394949973.db2.gz NZWNQZFNJUBZEK-IWCVFHTOSA-N 2 1 289.467 2.407 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CCn2cccn2)C[C@H]1c1ccccc1 ZINC000340274922 394982035 /nfs/dbraw/zinc/98/20/35/394982035.db2.gz ADZJLFMRZDTCMX-SJORKVTESA-N 2 1 284.407 2.308 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCn2cccn2)C[C@H]1c1ccccc1 ZINC000340274922 394982037 /nfs/dbraw/zinc/98/20/37/394982037.db2.gz ADZJLFMRZDTCMX-SJORKVTESA-N 2 1 284.407 2.308 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C2CCC2)CC1 ZINC000340277121 394982981 /nfs/dbraw/zinc/98/29/81/394982981.db2.gz GURMPERHPVPBPR-KRWDZBQOSA-N 2 1 279.472 2.419 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000415938956 394983984 /nfs/dbraw/zinc/98/39/84/394983984.db2.gz ZMKCCLZOKKPRCK-CYBMUJFWSA-N 2 1 292.427 2.256 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152030719 394984376 /nfs/dbraw/zinc/98/43/76/394984376.db2.gz ZBIBJRBZRSKJHE-ZIAGYGMSSA-N 2 1 256.434 2.390 20 0 CEADMP C[NH+]1CCC([NH2+]CC2(CO)CC(c3ccccc3)C2)CC1 ZINC000341375129 394999277 /nfs/dbraw/zinc/99/92/77/394999277.db2.gz PZCZHAXFLHDOIO-UHFFFAOYSA-N 2 1 288.435 2.227 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCC3)C2)[C@H](C)C1 ZINC000153709988 395015245 /nfs/dbraw/zinc/01/52/45/395015245.db2.gz ZJIPXIWNFIHQGZ-INMHGKMJSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@H](C)C1 ZINC000153709988 395015249 /nfs/dbraw/zinc/01/52/49/395015249.db2.gz ZJIPXIWNFIHQGZ-INMHGKMJSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@H](C)C1 ZINC000153709988 395015253 /nfs/dbraw/zinc/01/52/53/395015253.db2.gz ZJIPXIWNFIHQGZ-INMHGKMJSA-N 2 1 279.472 2.323 20 0 CEADMP CCOCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154723093 395023972 /nfs/dbraw/zinc/02/39/72/395023972.db2.gz AZPIEGLAPABCLY-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CCOCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154723093 395023976 /nfs/dbraw/zinc/02/39/76/395023976.db2.gz AZPIEGLAPABCLY-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000285846409 394972040 /nfs/dbraw/zinc/97/20/40/394972040.db2.gz XQQDHPKHCJTDRR-CQSZACIVSA-N 2 1 299.422 2.402 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)Nc1ccccc1C[NH2+]C ZINC000415913932 394977187 /nfs/dbraw/zinc/97/71/87/394977187.db2.gz SIYPTEYKVOGTDH-UHFFFAOYSA-N 2 1 292.427 2.259 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415917915 394978178 /nfs/dbraw/zinc/97/81/78/394978178.db2.gz JZLQYCLTQOOFIC-ZDUSSCGKSA-N 2 1 292.427 2.258 20 0 CEADMP C(C[NH+]1CC[C@@H](C2CC2)C1)OCC[N@H+]1CC[C@H](C2CC2)C1 ZINC000344001075 395048180 /nfs/dbraw/zinc/04/81/80/395048180.db2.gz GRPZQDKXBJUPMV-HDICACEKSA-N 2 1 292.467 2.467 20 0 CEADMP C(C[NH+]1CC[C@H](C2CC2)C1)OCC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000344001075 395048183 /nfs/dbraw/zinc/04/81/83/395048183.db2.gz GRPZQDKXBJUPMV-HDICACEKSA-N 2 1 292.467 2.467 20 0 CEADMP C(C[NH+]1CC[C@H](C2CC2)C1)OCC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000344001075 395048187 /nfs/dbraw/zinc/04/81/87/395048187.db2.gz GRPZQDKXBJUPMV-HDICACEKSA-N 2 1 292.467 2.467 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000158646751 395050444 /nfs/dbraw/zinc/05/04/44/395050444.db2.gz BVILFBOSGJHSLU-YYIAUSFCSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000158646751 395050446 /nfs/dbraw/zinc/05/04/46/395050446.db2.gz BVILFBOSGJHSLU-YYIAUSFCSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000158646751 395050450 /nfs/dbraw/zinc/05/04/50/395050450.db2.gz BVILFBOSGJHSLU-YYIAUSFCSA-N 2 1 281.488 2.427 20 0 CEADMP CCC1(CC)[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@H]1OC ZINC000344274283 395052784 /nfs/dbraw/zinc/05/27/84/395052784.db2.gz BAJINALYXLXDQJ-HUUCEWRRSA-N 2 1 266.429 2.432 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158766203 395053177 /nfs/dbraw/zinc/05/31/77/395053177.db2.gz PRQBEYBANBKWSC-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158766203 395053181 /nfs/dbraw/zinc/05/31/81/395053181.db2.gz PRQBEYBANBKWSC-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158766203 395053186 /nfs/dbraw/zinc/05/31/86/395053186.db2.gz PRQBEYBANBKWSC-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP Cc1ccc2[nH+]ccc(N3CCC[N@H+]([C@@H](C)CO)CC3)c2c1 ZINC000344996863 395061785 /nfs/dbraw/zinc/06/17/85/395061785.db2.gz UFURQLMYJVWHBK-HNNXBMFYSA-N 2 1 299.418 2.436 20 0 CEADMP CO[C@H](CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(F)(F)F ZINC000345441478 395066718 /nfs/dbraw/zinc/06/67/18/395066718.db2.gz BBWLHDWECNADEB-GARJFASQSA-N 2 1 268.323 2.026 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCOCC(F)F)C2)CC1 ZINC000374073670 395072023 /nfs/dbraw/zinc/07/20/23/395072023.db2.gz CBGYMMVLJWDLHI-UHFFFAOYSA-N 2 1 276.371 2.076 20 0 CEADMP Cc1noc(C)c1CC[N@@H+](C)CCCn1ccnc1 ZINC000162304579 395073018 /nfs/dbraw/zinc/07/30/18/395073018.db2.gz NVRNKKPBTZCBFZ-UHFFFAOYSA-N 2 1 262.357 2.053 20 0 CEADMP CO[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000374682384 395085154 /nfs/dbraw/zinc/08/51/54/395085154.db2.gz ZIBXFOXWNPUQST-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000374682384 395085156 /nfs/dbraw/zinc/08/51/56/395085156.db2.gz ZIBXFOXWNPUQST-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000374682384 395085158 /nfs/dbraw/zinc/08/51/58/395085158.db2.gz ZIBXFOXWNPUQST-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2COc3c(C)cccc3C2)CC1 ZINC000290271599 395096903 /nfs/dbraw/zinc/09/69/03/395096903.db2.gz WFUXRLDZHGULMD-MRXNPFEDSA-N 2 1 274.408 2.372 20 0 CEADMP COCCN(CC[C@@H]1CCC[N@H+]1C)Cc1ccccn1 ZINC000287370425 395039204 /nfs/dbraw/zinc/03/92/04/395039204.db2.gz MKMKGJSMHJVTEA-INIZCTEOSA-N 2 1 277.412 2.014 20 0 CEADMP COCC[NH+]1CCC([NH2+]Cc2cscc2C)CC1 ZINC000494492001 395117151 /nfs/dbraw/zinc/11/71/51/395117151.db2.gz FSCBZXIDDAJJJF-UHFFFAOYSA-N 2 1 268.426 2.257 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCn3cc(C)nc32)[C@@H](C)C1 ZINC000347416448 395123236 /nfs/dbraw/zinc/12/32/36/395123236.db2.gz IOKYDIRFYXVNKO-BPUTZDHNSA-N 2 1 290.455 2.389 20 0 CEADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)OC1CCCCCC1 ZINC000428034743 395134381 /nfs/dbraw/zinc/13/43/81/395134381.db2.gz OLFRHPNCXVMPRW-GOEBONIOSA-N 2 1 266.429 2.410 20 0 CEADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)OC1CCCCCC1 ZINC000428034743 395134385 /nfs/dbraw/zinc/13/43/85/395134385.db2.gz OLFRHPNCXVMPRW-GOEBONIOSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](CO)C2)[C@H]2CCC[C@H]21 ZINC000348693653 395148397 /nfs/dbraw/zinc/14/83/97/395148397.db2.gz HDTZVIUACFWVTO-BPKGMFCQSA-N 2 1 280.456 2.248 20 0 CEADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)n(C)n1 ZINC000417870810 395154036 /nfs/dbraw/zinc/15/40/36/395154036.db2.gz LYBZKAMQOFVHLV-HNNXBMFYSA-N 2 1 278.444 2.473 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CCCC[NH3+])C[C@H]1C ZINC000418671192 395233290 /nfs/dbraw/zinc/23/32/90/395233290.db2.gz KMWPBYISOLYITE-ZNMIVQPWSA-N 2 1 298.475 2.018 20 0 CEADMP CCOC1CC(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000352016464 395242621 /nfs/dbraw/zinc/24/26/21/395242621.db2.gz XHMRSZNEDMMPEH-KLAILNCOSA-N 2 1 280.456 2.465 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000352016464 395242626 /nfs/dbraw/zinc/24/26/26/395242626.db2.gz XHMRSZNEDMMPEH-KLAILNCOSA-N 2 1 280.456 2.465 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000352016464 395242631 /nfs/dbraw/zinc/24/26/31/395242631.db2.gz XHMRSZNEDMMPEH-KLAILNCOSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]CC[C@H]1CCOC1 ZINC000437982606 395202043 /nfs/dbraw/zinc/20/20/43/395202043.db2.gz FEGRMBUXOPVISB-CABCVRRESA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]CC[C@H]1CCOC1 ZINC000438183624 395209175 /nfs/dbraw/zinc/20/91/75/395209175.db2.gz AEVWJAODTJNLCE-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1CCCC[NH+]1CC(O)C[N@@H+]1CCCC[C@@H]1C ZINC000181774609 395223661 /nfs/dbraw/zinc/22/36/61/395223661.db2.gz LBIMATGZSLYGRB-KBPBESRZSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420287674 395296045 /nfs/dbraw/zinc/29/60/45/395296045.db2.gz IITQFTLUFQPHHP-RRFJBIMHSA-N 2 1 295.471 2.225 20 0 CEADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420287674 395296049 /nfs/dbraw/zinc/29/60/49/395296049.db2.gz IITQFTLUFQPHHP-RRFJBIMHSA-N 2 1 295.471 2.225 20 0 CEADMP COC(=O)[C@H](c1ccccc1C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000420296708 395301768 /nfs/dbraw/zinc/30/17/68/395301768.db2.gz QRAHOJCKBAHMGP-BBRMVZONSA-N 2 1 290.407 2.268 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000420295566 395302758 /nfs/dbraw/zinc/30/27/58/395302758.db2.gz VNVQZYHVUNACSR-ZFWWWQNUSA-N 2 1 262.397 2.297 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCc3ccncc3)C[C@H]21 ZINC000420302432 395307345 /nfs/dbraw/zinc/30/73/45/395307345.db2.gz GCCUAZHYEOMLCY-BZUAXINKSA-N 2 1 259.397 2.073 20 0 CEADMP COC(=O)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420303122 395307607 /nfs/dbraw/zinc/30/76/07/395307607.db2.gz HBYXGLJTWVRLPI-BPUTZDHNSA-N 2 1 288.391 2.032 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC000353906258 395310813 /nfs/dbraw/zinc/31/08/13/395310813.db2.gz FFGLUAGLNHYSTC-INIZCTEOSA-N 2 1 297.487 2.343 20 0 CEADMP CCOC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420307659 395312833 /nfs/dbraw/zinc/31/28/33/395312833.db2.gz RQJJFQYXZQNKGN-CABCVRRESA-N 2 1 254.418 2.125 20 0 CEADMP CCOC[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420307661 395312899 /nfs/dbraw/zinc/31/28/99/395312899.db2.gz RQJJFQYXZQNKGN-HUUCEWRRSA-N 2 1 254.418 2.125 20 0 CEADMP Fc1ccccc1[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000420311495 395314731 /nfs/dbraw/zinc/31/47/31/395314731.db2.gz WBKRJNKFOXIEOG-BBRMVZONSA-N 2 1 278.371 2.199 20 0 CEADMP Fc1ccccc1[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000420311495 395314737 /nfs/dbraw/zinc/31/47/37/395314737.db2.gz WBKRJNKFOXIEOG-BBRMVZONSA-N 2 1 278.371 2.199 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000420312027 395316153 /nfs/dbraw/zinc/31/61/53/395316153.db2.gz HPIWIOBYSOCBFY-DLBZAZTESA-N 3 1 279.472 2.326 20 0 CEADMP CCn1ccnc1C[N@H+](CCCF)[C@@H]1CC12CC[NH2+]CC2 ZINC000420312177 395316891 /nfs/dbraw/zinc/31/68/91/395316891.db2.gz OKNWMVWFOKKMIH-CQSZACIVSA-N 2 1 294.418 2.207 20 0 CEADMP CCn1ccnc1C[N@@H+](CCCF)[C@@H]1CC12CC[NH2+]CC2 ZINC000420312177 395316896 /nfs/dbraw/zinc/31/68/96/395316896.db2.gz OKNWMVWFOKKMIH-CQSZACIVSA-N 2 1 294.418 2.207 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1C ZINC000420314830 395318365 /nfs/dbraw/zinc/31/83/65/395318365.db2.gz KJCLGSKJMIVEID-AEGPPILISA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1C ZINC000420314830 395318369 /nfs/dbraw/zinc/31/83/69/395318369.db2.gz KJCLGSKJMIVEID-AEGPPILISA-N 2 1 289.423 2.300 20 0 CEADMP C[N@@H+](CCOc1ccccc1F)CC[C@H]1CC[NH2+]C1 ZINC000420315334 395319940 /nfs/dbraw/zinc/31/99/40/395319940.db2.gz LRYFHGOBNSFFAI-CYBMUJFWSA-N 2 1 266.360 2.136 20 0 CEADMP CC1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)COC1 ZINC000434676231 395321054 /nfs/dbraw/zinc/32/10/54/395321054.db2.gz QHEDBMIZLHHOCL-UHFFFAOYSA-N 2 1 289.423 2.435 20 0 CEADMP CC(C)(C)CCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000420317976 395321357 /nfs/dbraw/zinc/32/13/57/395321357.db2.gz VFNRIMRBJAQSNT-CQSZACIVSA-N 2 1 283.460 2.132 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000420325437 395327552 /nfs/dbraw/zinc/32/75/52/395327552.db2.gz WNOORZKNUQRUEM-OAGGEKHMSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000420325437 395327555 /nfs/dbraw/zinc/32/75/55/395327555.db2.gz WNOORZKNUQRUEM-OAGGEKHMSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000420325437 395327557 /nfs/dbraw/zinc/32/75/57/395327557.db2.gz WNOORZKNUQRUEM-OAGGEKHMSA-N 3 1 267.461 2.181 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000420325437 395327560 /nfs/dbraw/zinc/32/75/60/395327560.db2.gz WNOORZKNUQRUEM-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CC[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000420325437 395327562 /nfs/dbraw/zinc/32/75/62/395327562.db2.gz WNOORZKNUQRUEM-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)c1noc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420326032 395327573 /nfs/dbraw/zinc/32/75/73/395327573.db2.gz JAODBMWBLOVOCY-QWHCGFSZSA-N 2 1 278.400 2.015 20 0 CEADMP CO[C@H](CC(C)C)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000419291595 395255805 /nfs/dbraw/zinc/25/58/05/395255805.db2.gz LMLWRZCXWJQLKT-OAHLLOKOSA-N 2 1 256.434 2.465 20 0 CEADMP C[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000521928319 395257341 /nfs/dbraw/zinc/25/73/41/395257341.db2.gz LAWQKPAQMROBRA-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCCO1 ZINC000439479019 395269154 /nfs/dbraw/zinc/26/91/54/395269154.db2.gz POACTWGLOZHKQC-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CC[C@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC000439479019 395269158 /nfs/dbraw/zinc/26/91/58/395269158.db2.gz POACTWGLOZHKQC-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CC[C@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC000439479019 395269159 /nfs/dbraw/zinc/26/91/59/395269159.db2.gz POACTWGLOZHKQC-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)NCC1CCCCC1 ZINC000420367535 395354180 /nfs/dbraw/zinc/35/41/80/395354180.db2.gz STZUKFYWKFGQME-AWEZNQCLSA-N 2 1 283.460 2.036 20 0 CEADMP c1ccc(C[C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420370144 395357673 /nfs/dbraw/zinc/35/76/73/395357673.db2.gz YNSDTUJINHDQPF-ROUUACIJSA-N 2 1 288.435 2.320 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420376139 395362706 /nfs/dbraw/zinc/36/27/06/395362706.db2.gz AGZXQVCNICWZPI-GJZGRUSLSA-N 2 1 282.428 2.184 20 0 CEADMP Cc1ccoc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000355213783 395369902 /nfs/dbraw/zinc/36/99/02/395369902.db2.gz RMUPIOGCCGWZPG-QLFBSQMISA-N 2 1 278.396 2.272 20 0 CEADMP Cc1ccoc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000355213783 395369905 /nfs/dbraw/zinc/36/99/05/395369905.db2.gz RMUPIOGCCGWZPG-QLFBSQMISA-N 2 1 278.396 2.272 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000420419327 395375023 /nfs/dbraw/zinc/37/50/23/395375023.db2.gz XQCLFPNYIBDIDH-QWHCGFSZSA-N 2 1 298.390 2.332 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000420423219 395375631 /nfs/dbraw/zinc/37/56/31/395375631.db2.gz ZZFLOJRVQUKOHN-IAQYHMDHSA-N 2 1 284.350 2.242 20 0 CEADMP CC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435628924 395380235 /nfs/dbraw/zinc/38/02/35/395380235.db2.gz WIRJVJJWSUKRFI-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435628924 395380239 /nfs/dbraw/zinc/38/02/39/395380239.db2.gz WIRJVJJWSUKRFI-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CNCc2cocn2)C1 ZINC000192334748 395381075 /nfs/dbraw/zinc/38/10/75/395381075.db2.gz KQKHFMCFMWZKEX-CYBMUJFWSA-N 2 1 251.374 2.132 20 0 CEADMP C[C@H]([NH3+])C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000442663597 395389452 /nfs/dbraw/zinc/38/94/52/395389452.db2.gz SWFPROMRGVHKQI-ZDUSSCGKSA-N 2 1 272.396 2.288 20 0 CEADMP C[C@H]([NH3+])C[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000442663597 395389455 /nfs/dbraw/zinc/38/94/55/395389455.db2.gz SWFPROMRGVHKQI-ZDUSSCGKSA-N 2 1 272.396 2.288 20 0 CEADMP C[C@H]([NH3+])CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000442667022 395389544 /nfs/dbraw/zinc/38/95/44/395389544.db2.gz XSBXNYVPBGKOTR-UXLLHSPISA-N 2 1 275.440 2.319 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCO[C@H]1CCCC[C@H]1C ZINC000442778693 395395162 /nfs/dbraw/zinc/39/51/62/395395162.db2.gz KLEPFDODFWHBKQ-KBXIAJHMSA-N 2 1 254.418 2.251 20 0 CEADMP CN(CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420328742 395331278 /nfs/dbraw/zinc/33/12/78/395331278.db2.gz MXYBSIORWSNYBL-DLBZAZTESA-N 2 1 287.451 2.444 20 0 CEADMP CCc1noc([C@H](C)[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420334865 395332870 /nfs/dbraw/zinc/33/28/70/395332870.db2.gz UMNDYABDZAGCQU-RWMBFGLXSA-N 2 1 278.400 2.015 20 0 CEADMP CCCCOCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000440695011 395344382 /nfs/dbraw/zinc/34/43/82/395344382.db2.gz PVVIBYHKYHYROX-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP CCCCOCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000440695011 395344390 /nfs/dbraw/zinc/34/43/90/395344390.db2.gz PVVIBYHKYHYROX-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP CCCCOCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000440695011 395344398 /nfs/dbraw/zinc/34/43/98/395344398.db2.gz PVVIBYHKYHYROX-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP CC(C)C[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000445406075 395463374 /nfs/dbraw/zinc/46/33/74/395463374.db2.gz VZFMNJWYZQBWJC-YESZJQIVSA-N 2 1 281.488 2.379 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC2CCC2)[C@@H](C)C1 ZINC000445433665 395463696 /nfs/dbraw/zinc/46/36/96/395463696.db2.gz GITLSCGIPQPHSA-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC2CCC2)[C@@H](C)C1 ZINC000445433665 395463698 /nfs/dbraw/zinc/46/36/98/395463698.db2.gz GITLSCGIPQPHSA-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC2CCC2)[C@@H](C)C1 ZINC000445433665 395463700 /nfs/dbraw/zinc/46/37/00/395463700.db2.gz GITLSCGIPQPHSA-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CC[C@@H](C)[NH3+])c1 ZINC000193303993 395405655 /nfs/dbraw/zinc/40/56/55/395405655.db2.gz RAALDHXZPQDEAI-CQSZACIVSA-N 2 1 291.439 2.270 20 0 CEADMP C[C@@]1(CCCO)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000444606016 395439665 /nfs/dbraw/zinc/43/96/65/395439665.db2.gz CCRFVPLVTHHKDT-INIZCTEOSA-N 2 1 268.445 2.489 20 0 CEADMP C[C@@H](C[NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000566294049 395510778 /nfs/dbraw/zinc/51/07/78/395510778.db2.gz PMUBDXSQZXIKIT-LSDHHAIUSA-N 2 1 295.471 2.084 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000566418169 395520789 /nfs/dbraw/zinc/52/07/89/395520789.db2.gz CJFDXCFXJSCNNR-OIISXLGYSA-N 2 1 276.424 2.177 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000566418169 395520792 /nfs/dbraw/zinc/52/07/92/395520792.db2.gz CJFDXCFXJSCNNR-OIISXLGYSA-N 2 1 276.424 2.177 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000566418169 395520796 /nfs/dbraw/zinc/52/07/96/395520796.db2.gz CJFDXCFXJSCNNR-OIISXLGYSA-N 2 1 276.424 2.177 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCCC[NH+]1CCC1 ZINC000566475447 395528945 /nfs/dbraw/zinc/52/89/45/395528945.db2.gz ZSBYJUCSXGKMNE-AEFFLSMTSA-N 2 1 287.451 2.192 20 0 CEADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000567871131 395537615 /nfs/dbraw/zinc/53/76/15/395537615.db2.gz RTOQTMSCUNECQO-KRWDZBQOSA-N 2 1 285.391 2.414 20 0 CEADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000567871131 395537616 /nfs/dbraw/zinc/53/76/16/395537616.db2.gz RTOQTMSCUNECQO-KRWDZBQOSA-N 2 1 285.391 2.414 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000567896080 395540433 /nfs/dbraw/zinc/54/04/33/395540433.db2.gz MMPJJWKGCWMJEC-HZPDHXFCSA-N 2 1 259.397 2.355 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000567896080 395540436 /nfs/dbraw/zinc/54/04/36/395540436.db2.gz MMPJJWKGCWMJEC-HZPDHXFCSA-N 2 1 259.397 2.355 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000567896080 395540437 /nfs/dbraw/zinc/54/04/37/395540437.db2.gz MMPJJWKGCWMJEC-HZPDHXFCSA-N 2 1 259.397 2.355 20 0 CEADMP Cc1ccccc1[C@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000565594762 395477088 /nfs/dbraw/zinc/47/70/88/395477088.db2.gz WZMVBNGTNZAHDQ-ZOBUZTSGSA-N 2 1 288.435 2.286 20 0 CEADMP Cc1ccccc1[C@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000565594762 395477090 /nfs/dbraw/zinc/47/70/90/395477090.db2.gz WZMVBNGTNZAHDQ-ZOBUZTSGSA-N 2 1 288.435 2.286 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000446817649 395499549 /nfs/dbraw/zinc/49/95/49/395499549.db2.gz JGOMKORLLHWDKB-ZACQAIPSSA-N 2 1 276.424 2.009 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561276 395554934 /nfs/dbraw/zinc/55/49/34/395554934.db2.gz UCWXHBJNKYYVNY-NIOBXDJOSA-N 2 1 266.429 2.406 20 0 CEADMP CCN(CCOc1ccccc1C)C[C@H](O)C[N@@H+](C)CC ZINC000568410760 395558797 /nfs/dbraw/zinc/55/87/97/395558797.db2.gz WLKXJHWMSKTQTG-MRXNPFEDSA-N 2 1 294.439 2.008 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+](CC)CCOc1ccccc1C ZINC000568410760 395558800 /nfs/dbraw/zinc/55/88/00/395558800.db2.gz WLKXJHWMSKTQTG-MRXNPFEDSA-N 2 1 294.439 2.008 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+](CC)CCOc1ccccc1C ZINC000568410760 395558802 /nfs/dbraw/zinc/55/88/02/395558802.db2.gz WLKXJHWMSKTQTG-MRXNPFEDSA-N 2 1 294.439 2.008 20 0 CEADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000451126788 395583992 /nfs/dbraw/zinc/58/39/92/395583992.db2.gz SEAKKUFDRUUFDI-KFWWJZLASA-N 2 1 256.434 2.103 20 0 CEADMP CCCNC(=O)CCC[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000574096749 395626511 /nfs/dbraw/zinc/62/65/11/395626511.db2.gz HZAYJGSGRDKWLP-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000574544214 395632254 /nfs/dbraw/zinc/63/22/54/395632254.db2.gz AQYOEBDSCOFUDF-CJNGLKHVSA-N 2 1 282.391 2.231 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)c1sc(CCOC)nc1C ZINC000574629803 395633641 /nfs/dbraw/zinc/63/36/41/395633641.db2.gz YSGKBESZCGPTQC-LLVKDONJSA-N 2 1 285.457 2.291 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+](C)[C@H]3CCN(C)C[C@H]3C)cc12 ZINC000574797485 395637676 /nfs/dbraw/zinc/63/76/76/395637676.db2.gz ZXOBBQYWLOXHMZ-ABAIWWIYSA-N 2 1 287.411 2.038 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000574815388 395637954 /nfs/dbraw/zinc/63/79/54/395637954.db2.gz WFXLVBSNIZROFQ-JOCBIADPSA-N 2 1 292.467 2.486 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000574815388 395637955 /nfs/dbraw/zinc/63/79/55/395637955.db2.gz WFXLVBSNIZROFQ-JOCBIADPSA-N 2 1 292.467 2.486 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000574815388 395637956 /nfs/dbraw/zinc/63/79/56/395637956.db2.gz WFXLVBSNIZROFQ-JOCBIADPSA-N 2 1 292.467 2.486 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000574815388 395637957 /nfs/dbraw/zinc/63/79/57/395637957.db2.gz WFXLVBSNIZROFQ-JOCBIADPSA-N 2 1 292.467 2.486 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000574815388 395637958 /nfs/dbraw/zinc/63/79/58/395637958.db2.gz WFXLVBSNIZROFQ-JOCBIADPSA-N 2 1 292.467 2.486 20 0 CEADMP COC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000647344003 395707254 /nfs/dbraw/zinc/70/72/54/395707254.db2.gz HMSQNOURNVUXTG-SQNIBIBYSA-N 2 1 288.435 2.346 20 0 CEADMP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000647360531 395709275 /nfs/dbraw/zinc/70/92/75/395709275.db2.gz WCCVPEJJJRPCJL-MEBFFEOJSA-N 2 1 254.443 2.343 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000647509955 395724102 /nfs/dbraw/zinc/72/41/02/395724102.db2.gz KHKAXTAMIWJWAR-LRDDRELGSA-N 2 1 255.365 2.404 20 0 CEADMP CCC[N@H+](Cc1cnc2ccccn12)C1CC[NH2+]CC1 ZINC000647484462 395720827 /nfs/dbraw/zinc/72/08/27/395720827.db2.gz MBAOZQROVXWNQB-UHFFFAOYSA-N 2 1 272.396 2.298 20 0 CEADMP CCC[N@@H+](Cc1cnc2ccccn12)C1CC[NH2+]CC1 ZINC000647484462 395720828 /nfs/dbraw/zinc/72/08/28/395720828.db2.gz MBAOZQROVXWNQB-UHFFFAOYSA-N 2 1 272.396 2.298 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cnc3ccc(C)cn23)CC[C@@H]1[NH3+] ZINC000647498100 395721540 /nfs/dbraw/zinc/72/15/40/395721540.db2.gz AEQCQCJIBVVEHN-HIFRSBDPSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cnc3ccc(C)cn23)CC[C@@H]1[NH3+] ZINC000647498100 395721542 /nfs/dbraw/zinc/72/15/42/395721542.db2.gz AEQCQCJIBVVEHN-HIFRSBDPSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccnn2-c2ccccc2)CC[C@H]1[NH3+] ZINC000647497301 395721921 /nfs/dbraw/zinc/72/19/21/395721921.db2.gz CCIHIXIEFCROFX-WMLDXEAASA-N 2 1 284.407 2.432 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccnn2-c2ccccc2)CC[C@H]1[NH3+] ZINC000647497301 395721922 /nfs/dbraw/zinc/72/19/22/395721922.db2.gz CCIHIXIEFCROFX-WMLDXEAASA-N 2 1 284.407 2.432 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647498827 395722143 /nfs/dbraw/zinc/72/21/43/395722143.db2.gz RONLTMCZBJMJSK-TZMCWYRMSA-N 2 1 278.444 2.104 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccccc2OCCOC)CC[C@@H]1[NH3+] ZINC000647498962 395722161 /nfs/dbraw/zinc/72/21/61/395722161.db2.gz UYPMLFGDIRZCRA-HOCLYGCPSA-N 2 1 292.423 2.271 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccccc2N(C)C)CC[C@@H]1[NH3+] ZINC000647498174 395722215 /nfs/dbraw/zinc/72/22/15/395722215.db2.gz CAKYJWHKCYTJDG-ZFWWWQNUSA-N 2 1 261.413 2.312 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c1C ZINC000647498747 395722227 /nfs/dbraw/zinc/72/22/27/395722227.db2.gz PHBBCXKIYLEKPG-ZBFHGGJFSA-N 2 1 278.444 2.469 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c1C ZINC000647498747 395722229 /nfs/dbraw/zinc/72/22/29/395722229.db2.gz PHBBCXKIYLEKPG-ZBFHGGJFSA-N 2 1 278.444 2.469 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccnc2)CC[C@H]1[NH3+] ZINC000647498396 395722237 /nfs/dbraw/zinc/72/22/37/395722237.db2.gz GLOQGGMPQMNXPK-IUODEOHRSA-N 2 1 285.395 2.031 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2c[nH]nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000647499013 395722900 /nfs/dbraw/zinc/72/29/00/395722900.db2.gz WUFYZZONOOBAIW-DGCLKSJQSA-N 2 1 264.417 2.266 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2c[nH]nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000647499013 395722902 /nfs/dbraw/zinc/72/29/02/395722902.db2.gz WUFYZZONOOBAIW-DGCLKSJQSA-N 2 1 264.417 2.266 20 0 CEADMP COCCOc1cccc(C[NH+]2CCC(C)([NH3+])CC2)c1 ZINC000647531441 395727150 /nfs/dbraw/zinc/72/71/50/395727150.db2.gz WZECADMNYDMIOQ-UHFFFAOYSA-N 2 1 278.396 2.025 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)nc1 ZINC000647535749 395729007 /nfs/dbraw/zinc/72/90/07/395729007.db2.gz HGYIBECVDWPVJM-CYBMUJFWSA-N 2 1 263.385 2.041 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000647536785 395729373 /nfs/dbraw/zinc/72/93/73/395729373.db2.gz CMHNBBNRMZXBET-KRWDZBQOSA-N 2 1 290.407 2.279 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000647536785 395729374 /nfs/dbraw/zinc/72/93/74/395729374.db2.gz CMHNBBNRMZXBET-KRWDZBQOSA-N 2 1 290.407 2.279 20 0 CEADMP c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647544178 395731383 /nfs/dbraw/zinc/73/13/83/395731383.db2.gz XUNMSGUMWSWONZ-GJZGRUSLSA-N 2 1 259.397 2.293 20 0 CEADMP CCn1nccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543476 395731604 /nfs/dbraw/zinc/73/16/04/395731604.db2.gz OFEUHLYMOZTXII-LSDHHAIUSA-N 2 1 276.428 2.115 20 0 CEADMP CC[C@H]1CN(c2[nH+]cnc3[nH]c(C)c(C)c32)CC[C@@H]1[NH3+] ZINC000647707299 395746755 /nfs/dbraw/zinc/74/67/55/395746755.db2.gz AQMJHAZNYXYDOD-RYUDHWBXSA-N 2 1 273.384 2.138 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@H]([C@H](C)[NH3+])C3)c2c1C ZINC000647704946 395747090 /nfs/dbraw/zinc/74/70/90/395747090.db2.gz PPKSXMIQDUGNHT-JQWIXIFHSA-N 2 1 273.384 2.138 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@]4(CC[NH2+]C4)C3)c2c1C ZINC000647708549 395747370 /nfs/dbraw/zinc/74/73/70/395747370.db2.gz PIWQYSYHYAAJMM-MRXNPFEDSA-N 2 1 285.395 2.155 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC[C@H]1[NH3+] ZINC000647938670 395780562 /nfs/dbraw/zinc/78/05/62/395780562.db2.gz RIKMOJNRRLENRC-RRFJBIMHSA-N 2 1 283.460 2.080 20 0 CEADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC[C@H]1[NH3+] ZINC000647938670 395780565 /nfs/dbraw/zinc/78/05/65/395780565.db2.gz RIKMOJNRRLENRC-RRFJBIMHSA-N 2 1 283.460 2.080 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1cccc(C)c1 ZINC000647960131 395786251 /nfs/dbraw/zinc/78/62/51/395786251.db2.gz HQLMSNFTWAJBMU-DLBZAZTESA-N 2 1 276.424 2.445 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1cccc(C)c1 ZINC000647960131 395786254 /nfs/dbraw/zinc/78/62/54/395786254.db2.gz HQLMSNFTWAJBMU-DLBZAZTESA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000647960131 395786257 /nfs/dbraw/zinc/78/62/57/395786257.db2.gz HQLMSNFTWAJBMU-DLBZAZTESA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000647960131 395786259 /nfs/dbraw/zinc/78/62/59/395786259.db2.gz HQLMSNFTWAJBMU-DLBZAZTESA-N 2 1 276.424 2.445 20 0 CEADMP O=C(CC[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccccc1 ZINC000647814164 395759277 /nfs/dbraw/zinc/75/92/77/395759277.db2.gz AOOYCHRKRKGUKP-UHFFFAOYSA-N 2 1 287.407 2.232 20 0 CEADMP c1ccc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814391 395759302 /nfs/dbraw/zinc/75/93/02/395759302.db2.gz MAUJJNSFKDOSTD-UHFFFAOYSA-N 2 1 260.381 2.282 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000647875048 395767406 /nfs/dbraw/zinc/76/74/06/395767406.db2.gz SWWSDBSAOHXIPQ-HNNXBMFYSA-N 2 1 266.429 2.267 20 0 CEADMP c1cc2c(cc[nH+]c2NC[C@@H]2CCc3[nH+]ccn3C2)[nH]1 ZINC000647879023 395767762 /nfs/dbraw/zinc/76/77/62/395767762.db2.gz LINDSBGYMAFRPX-NSHDSACASA-N 2 1 267.336 2.434 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)[C@H]1CCCCO1 ZINC000647903748 395770908 /nfs/dbraw/zinc/77/09/08/395770908.db2.gz PAUFYQKUXZEOAQ-BZUAXINKSA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC[C@H]1[NH3+] ZINC000647934535 395778542 /nfs/dbraw/zinc/77/85/42/395778542.db2.gz ICNZQGIHFNNYEM-SQWLQELKSA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC[C@H]1[NH3+] ZINC000647934535 395778544 /nfs/dbraw/zinc/77/85/44/395778544.db2.gz ICNZQGIHFNNYEM-SQWLQELKSA-N 2 1 295.471 2.225 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000648111020 395839805 /nfs/dbraw/zinc/83/98/05/395839805.db2.gz KEHCYTDJCIAEHT-GFCCVEGCSA-N 2 1 286.379 2.494 20 0 CEADMP Nc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647978291 395794420 /nfs/dbraw/zinc/79/44/20/395794420.db2.gz PNLKMPHNWQJGAF-HOTGVXAUSA-N 2 1 273.424 2.480 20 0 CEADMP CCCOc1ccc2c(c1)CC[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000647990391 395797541 /nfs/dbraw/zinc/79/75/41/395797541.db2.gz WIQBSDFIHZHNMD-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP CCCOc1ccc2c(c1)CC[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000647990391 395797543 /nfs/dbraw/zinc/79/75/43/395797543.db2.gz WIQBSDFIHZHNMD-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP CCCOc1ccc2c(c1)CC[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000647990390 395797620 /nfs/dbraw/zinc/79/76/20/395797620.db2.gz WIQBSDFIHZHNMD-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP CCCOc1ccc2c(c1)CC[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000647990390 395797623 /nfs/dbraw/zinc/79/76/23/395797623.db2.gz WIQBSDFIHZHNMD-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000648845124 395998813 /nfs/dbraw/zinc/99/88/13/395998813.db2.gz APPBZOIPEFKYRY-ZBFHGGJFSA-N 2 1 295.471 2.050 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CC(C)(C)CO)cc1 ZINC000648690265 395959093 /nfs/dbraw/zinc/95/90/93/395959093.db2.gz QLPPQJCKMCSGCN-UHFFFAOYSA-N 2 1 294.439 2.077 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000648907917 396015082 /nfs/dbraw/zinc/01/50/82/396015082.db2.gz IYFUXXDRNTVNCU-UONOGXRCSA-N 2 1 294.443 2.242 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000648907917 396015087 /nfs/dbraw/zinc/01/50/87/396015087.db2.gz IYFUXXDRNTVNCU-UONOGXRCSA-N 2 1 294.443 2.242 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCCC2CC[NH2+]CC2)CCN1C ZINC000649413962 396148588 /nfs/dbraw/zinc/14/85/88/396148588.db2.gz ZJJYFGQKZQEDMO-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000649413962 396148591 /nfs/dbraw/zinc/14/85/91/396148591.db2.gz ZJJYFGQKZQEDMO-GOEBONIOSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCCC2CC[NH2+]CC2)CC[N@H+]1C ZINC000649413962 396148594 /nfs/dbraw/zinc/14/85/94/396148594.db2.gz ZJJYFGQKZQEDMO-GOEBONIOSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CCCC2CC[NH2+]CC2)CC[NH+]1C ZINC000649413962 396148597 /nfs/dbraw/zinc/14/85/97/396148597.db2.gz ZJJYFGQKZQEDMO-GOEBONIOSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCCC2CC[NH2+]CC2)CC[NH+]1C ZINC000649413962 396148598 /nfs/dbraw/zinc/14/85/98/396148598.db2.gz ZJJYFGQKZQEDMO-GOEBONIOSA-N 3 1 267.461 2.181 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(C[NH3+])c1 ZINC000646579196 396360095 /nfs/dbraw/zinc/36/00/95/396360095.db2.gz BCRSSNVOTPBMON-OAHLLOKOSA-N 2 1 275.396 2.348 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000393556978 400546064 /nfs/dbraw/zinc/54/60/64/400546064.db2.gz MGZJSFLXLCUUIN-KKUMJFAQSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000393556978 400546068 /nfs/dbraw/zinc/54/60/68/400546068.db2.gz MGZJSFLXLCUUIN-KKUMJFAQSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000393556978 400546072 /nfs/dbraw/zinc/54/60/72/400546072.db2.gz MGZJSFLXLCUUIN-KKUMJFAQSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000650179228 400828837 /nfs/dbraw/zinc/82/88/37/400828837.db2.gz ZTOMSKRWYNAFSE-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000650706891 400998553 /nfs/dbraw/zinc/99/85/53/400998553.db2.gz VBHPSQPGVROTIY-NFAWXSAZSA-N 2 1 280.437 2.466 20 0 CEADMP COc1ccsc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709096 400999561 /nfs/dbraw/zinc/99/95/61/400999561.db2.gz AEBMGFXDMFFBKB-FZMZJTMJSA-N 2 1 266.410 2.318 20 0 CEADMP Cc1cccn2c(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cnc12 ZINC000650709200 401000273 /nfs/dbraw/zinc/00/02/73/401000273.db2.gz JBEMMQCVYMBEEF-YOEHRIQHSA-N 2 1 284.407 2.204 20 0 CEADMP Cc1cccn2c(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cnc12 ZINC000650709200 401000275 /nfs/dbraw/zinc/00/02/75/401000275.db2.gz JBEMMQCVYMBEEF-YOEHRIQHSA-N 2 1 284.407 2.204 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cc(C)c3ncccc3c2)C[C@H]1C[NH3+] ZINC000650714418 401003740 /nfs/dbraw/zinc/00/37/40/401003740.db2.gz BLFRGZQNICBJSN-IAGOWNOFSA-N 2 1 299.418 2.339 20 0 CEADMP Cc1ncsc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650722983 401012019 /nfs/dbraw/zinc/01/20/19/401012019.db2.gz FRHFQSIEHICEBA-MCIONIFRSA-N 2 1 295.452 2.312 20 0 CEADMP C[C@@H]1CCCCC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000651685797 401371633 /nfs/dbraw/zinc/37/16/33/401371633.db2.gz DZBRUXPZCUFHIC-ZBFHGGJFSA-N 2 1 268.445 2.392 20 0 CEADMP COCC[NH+]1CCC([NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651691100 401372518 /nfs/dbraw/zinc/37/25/18/401372518.db2.gz BLYZFGLINXROLY-UHFFFAOYSA-N 2 1 288.435 2.376 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccnn1C ZINC000652222049 401466845 /nfs/dbraw/zinc/46/68/45/401466845.db2.gz DITHRUOUPWSVQR-ZDUSSCGKSA-N 2 1 252.406 2.049 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccnn1C ZINC000652222049 401466847 /nfs/dbraw/zinc/46/68/47/401466847.db2.gz DITHRUOUPWSVQR-ZDUSSCGKSA-N 2 1 252.406 2.049 20 0 CEADMP C[C@H](c1cccnc1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349039 401491199 /nfs/dbraw/zinc/49/11/99/401491199.db2.gz ZWUZEWFLCDDFIV-IWCQGFGOSA-N 2 1 289.423 2.361 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)[C@@H](C)CO1 ZINC000652353630 401492423 /nfs/dbraw/zinc/49/24/23/401492423.db2.gz WLUKQXMEJHUMCN-NUEKZKHPSA-N 2 1 292.423 2.237 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)[C@@H](C)CO1 ZINC000652353630 401492424 /nfs/dbraw/zinc/49/24/24/401492424.db2.gz WLUKQXMEJHUMCN-NUEKZKHPSA-N 2 1 292.423 2.237 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCCCO2)[C@H]1CC[NH3+] ZINC000652355899 401492879 /nfs/dbraw/zinc/49/28/79/401492879.db2.gz LVONPLUJVWYRQQ-KFWWJZLASA-N 2 1 254.418 2.395 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355382 401493299 /nfs/dbraw/zinc/49/32/99/401493299.db2.gz WVDUDMRNDFHTDR-IAQYHMDHSA-N 2 1 265.401 2.495 20 0 CEADMP CC[N@H+](CCO)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000158668567 289238356 /nfs/dbraw/zinc/23/83/56/289238356.db2.gz RIHIUDJUFKLPHB-UHFFFAOYSA-N 2 1 278.440 2.459 20 0 CEADMP CC[N@@H+](CCO)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000158668567 289238363 /nfs/dbraw/zinc/23/83/63/289238363.db2.gz RIHIUDJUFKLPHB-UHFFFAOYSA-N 2 1 278.440 2.459 20 0 CEADMP CC[NH+](CCO)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000158668567 289238365 /nfs/dbraw/zinc/23/83/65/289238365.db2.gz RIHIUDJUFKLPHB-UHFFFAOYSA-N 2 1 278.440 2.459 20 0 CEADMP CC[NH+](CCO)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000158668567 289238370 /nfs/dbraw/zinc/23/83/70/289238370.db2.gz RIHIUDJUFKLPHB-UHFFFAOYSA-N 2 1 278.440 2.459 20 0 CEADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000360250052 155251774 /nfs/dbraw/zinc/25/17/74/155251774.db2.gz GUEINGBPLVJIHG-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1(C)C ZINC000247170988 286172641 /nfs/dbraw/zinc/17/26/41/286172641.db2.gz SNVIFBMYIJZYKX-UKTARXLSSA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1(C)C ZINC000247170988 286172642 /nfs/dbraw/zinc/17/26/42/286172642.db2.gz SNVIFBMYIJZYKX-UKTARXLSSA-N 2 1 254.418 2.262 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCc2ccncc2)C1 ZINC000360435550 155298669 /nfs/dbraw/zinc/29/86/69/155298669.db2.gz DZVZHSHBOAJHOJ-MRXNPFEDSA-N 2 1 261.413 2.288 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC000360435550 155298671 /nfs/dbraw/zinc/29/86/71/155298671.db2.gz DZVZHSHBOAJHOJ-MRXNPFEDSA-N 2 1 261.413 2.288 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCc2ccncc2)C1 ZINC000360435550 155298675 /nfs/dbraw/zinc/29/86/75/155298675.db2.gz DZVZHSHBOAJHOJ-MRXNPFEDSA-N 2 1 261.413 2.288 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCC[NH2+]C2)C1(C)C ZINC000346985402 286247467 /nfs/dbraw/zinc/24/74/67/286247467.db2.gz PJEGVYVGIWOEMK-BFHYXJOUSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)n1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cn1 ZINC000360791394 155372166 /nfs/dbraw/zinc/37/21/66/155372166.db2.gz MXQFTTXRNCPUAX-ZACQAIPSSA-N 2 1 288.439 2.380 20 0 CEADMP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cs1 ZINC000360817747 155378693 /nfs/dbraw/zinc/37/86/93/155378693.db2.gz DOBLKSBINFIGCB-YPMHNXCESA-N 2 1 267.442 2.178 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000191438742 153173758 /nfs/dbraw/zinc/17/37/58/153173758.db2.gz XVDRSPLEBQYLOD-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000191541177 153176220 /nfs/dbraw/zinc/17/62/20/153176220.db2.gz PQVHPIWMSAHOGU-KRWDZBQOSA-N 2 1 298.471 2.378 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000191817844 153188748 /nfs/dbraw/zinc/18/87/48/153188748.db2.gz JXGJXXBKKWCZCU-MRXNPFEDSA-N 2 1 292.471 2.407 20 0 CEADMP CC[NH+]1CCN(C[C@H](C)CNc2cc[nH+]cc2C)CC1 ZINC000192510163 153210729 /nfs/dbraw/zinc/21/07/29/153210729.db2.gz VEAWIOMSFWWQON-CQSZACIVSA-N 2 1 276.428 2.076 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3cncnc3)C2)cc1 ZINC000192920672 153224028 /nfs/dbraw/zinc/22/40/28/153224028.db2.gz JVUDUVYIFALYDN-MRXNPFEDSA-N 2 1 282.391 2.088 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3cncnc3)C2)cc1 ZINC000192920672 153224033 /nfs/dbraw/zinc/22/40/33/153224033.db2.gz JVUDUVYIFALYDN-MRXNPFEDSA-N 2 1 282.391 2.088 20 0 CEADMP C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)O[C@@H]1CCCCO1 ZINC000193059124 153228059 /nfs/dbraw/zinc/22/80/59/153228059.db2.gz YKTMWTIVQBRJDD-DLBZAZTESA-N 2 1 296.455 2.337 20 0 CEADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)O[C@@H]1CCCCO1 ZINC000193059124 153228063 /nfs/dbraw/zinc/22/80/63/153228063.db2.gz YKTMWTIVQBRJDD-DLBZAZTESA-N 2 1 296.455 2.337 20 0 CEADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)s1 ZINC000193614459 153234985 /nfs/dbraw/zinc/23/49/85/153234985.db2.gz ZHRSTDQQKSDMPV-OKILXGFUSA-N 2 1 250.411 2.358 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)s1 ZINC000193614459 153234991 /nfs/dbraw/zinc/23/49/91/153234991.db2.gz ZHRSTDQQKSDMPV-OKILXGFUSA-N 2 1 250.411 2.358 20 0 CEADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)s1 ZINC000193614459 153234997 /nfs/dbraw/zinc/23/49/97/153234997.db2.gz ZHRSTDQQKSDMPV-OKILXGFUSA-N 2 1 250.411 2.358 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000194859928 153267550 /nfs/dbraw/zinc/26/75/50/153267550.db2.gz JAMUAGLGEJVVJA-RDJZCZTQSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000194859928 153267553 /nfs/dbraw/zinc/26/75/53/153267553.db2.gz JAMUAGLGEJVVJA-RDJZCZTQSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000194859928 153267556 /nfs/dbraw/zinc/26/75/56/153267556.db2.gz JAMUAGLGEJVVJA-RDJZCZTQSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000194859914 153267867 /nfs/dbraw/zinc/26/78/67/153267867.db2.gz JAMUAGLGEJVVJA-DOTOQJQBSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000194859914 153267873 /nfs/dbraw/zinc/26/78/73/153267873.db2.gz JAMUAGLGEJVVJA-DOTOQJQBSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000194859914 153267879 /nfs/dbraw/zinc/26/78/79/153267879.db2.gz JAMUAGLGEJVVJA-DOTOQJQBSA-N 2 1 296.455 2.382 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000219447800 153300925 /nfs/dbraw/zinc/30/09/25/153300925.db2.gz UWXYVKSGPVAGER-UHFFFAOYSA-N 2 1 258.287 2.275 20 0 CEADMP C[C@@H](CC[NH3+])[NH2+]Cc1cc(F)ccc1Br ZINC000220500422 153306445 /nfs/dbraw/zinc/30/64/45/153306445.db2.gz XQVHRXAIPHXZKC-QMMMGPOBSA-N 2 1 275.165 2.415 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227278202 153341900 /nfs/dbraw/zinc/34/19/00/153341900.db2.gz XZYKXUQKOUCGAG-GXTWGEPZSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227278202 153341904 /nfs/dbraw/zinc/34/19/04/153341904.db2.gz XZYKXUQKOUCGAG-GXTWGEPZSA-N 2 1 272.396 2.215 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000262967527 154002193 /nfs/dbraw/zinc/00/21/93/154002193.db2.gz LKQVZVCQBIMMKH-UXLLHSPISA-N 2 1 295.471 2.084 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000346677911 154291998 /nfs/dbraw/zinc/29/19/98/154291998.db2.gz LAAAGLDMMNEICA-WDEREUQCSA-N 2 1 276.409 2.307 20 0 CEADMP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000346816458 154300068 /nfs/dbraw/zinc/30/00/68/154300068.db2.gz SZEANEAIMALIMH-RRFJBIMHSA-N 2 1 280.412 2.300 20 0 CEADMP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000346816458 154300071 /nfs/dbraw/zinc/30/00/71/154300071.db2.gz SZEANEAIMALIMH-RRFJBIMHSA-N 2 1 280.412 2.300 20 0 CEADMP CC[C@H](CNCc1ncc(C[NH+](C)C)s1)[NH+]1CCCC1 ZINC000352778082 154336715 /nfs/dbraw/zinc/33/67/15/154336715.db2.gz FIOAGVVNYREDDW-CYBMUJFWSA-N 2 1 296.484 2.169 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357078638 154372164 /nfs/dbraw/zinc/37/21/64/154372164.db2.gz RNMKCRACYFGWGJ-HOTGVXAUSA-N 2 1 274.408 2.224 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357078638 154372169 /nfs/dbraw/zinc/37/21/69/154372169.db2.gz RNMKCRACYFGWGJ-HOTGVXAUSA-N 2 1 274.408 2.224 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000359661218 155100471 /nfs/dbraw/zinc/10/04/71/155100471.db2.gz MZIGPXSPDKCLCQ-KBAYOESNSA-N 2 1 287.451 2.363 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000359661218 155100477 /nfs/dbraw/zinc/10/04/77/155100477.db2.gz MZIGPXSPDKCLCQ-KBAYOESNSA-N 2 1 287.451 2.363 20 0 CEADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCN(c2nccs2)CC1 ZINC000361434622 155549305 /nfs/dbraw/zinc/54/93/05/155549305.db2.gz FJQKNIAYBFJKCC-ZDUSSCGKSA-N 2 1 296.484 2.432 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000363182516 156008477 /nfs/dbraw/zinc/00/84/77/156008477.db2.gz ZBWIYRWWIZXSFV-OAGGEKHMSA-N 2 1 295.471 2.192 20 0 CEADMP Cc1cncc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000364147513 156066577 /nfs/dbraw/zinc/06/65/77/156066577.db2.gz MAAAYGQUANAYEZ-ZACQAIPSSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cncc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000364147513 156066581 /nfs/dbraw/zinc/06/65/81/156066581.db2.gz MAAAYGQUANAYEZ-ZACQAIPSSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cncc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000364147513 156066586 /nfs/dbraw/zinc/06/65/86/156066586.db2.gz MAAAYGQUANAYEZ-ZACQAIPSSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cncc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000364147513 156066590 /nfs/dbraw/zinc/06/65/90/156066590.db2.gz MAAAYGQUANAYEZ-ZACQAIPSSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cncc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000366776009 156079928 /nfs/dbraw/zinc/07/99/28/156079928.db2.gz XLHUTSOQXQJACL-GVDBMIGSSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cncc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000366776009 156079930 /nfs/dbraw/zinc/07/99/30/156079930.db2.gz XLHUTSOQXQJACL-GVDBMIGSSA-N 2 1 289.423 2.074 20 0 CEADMP CCn1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000366956794 156109749 /nfs/dbraw/zinc/10/97/49/156109749.db2.gz WNODDNLJLGQILD-UHFFFAOYSA-N 2 1 276.428 2.211 20 0 CEADMP CCOC1CC(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000367216776 156151571 /nfs/dbraw/zinc/15/15/71/156151571.db2.gz GUIAUCXEOAYJBF-KDJGIRDZSA-N 2 1 266.429 2.359 20 0 CEADMP CCOC1CC(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000367216776 156151572 /nfs/dbraw/zinc/15/15/72/156151572.db2.gz GUIAUCXEOAYJBF-KDJGIRDZSA-N 2 1 266.429 2.359 20 0 CEADMP CCOC1CC(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000367216776 156151575 /nfs/dbraw/zinc/15/15/75/156151575.db2.gz GUIAUCXEOAYJBF-KDJGIRDZSA-N 2 1 266.429 2.359 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOC2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000367598280 156215529 /nfs/dbraw/zinc/21/55/29/156215529.db2.gz QHYHOEXBBAXDLG-IKGGRYGDSA-N 2 1 296.455 2.035 20 0 CEADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+]([C@H]3C=CCCC3)C2)CC1 ZINC000367623184 156217502 /nfs/dbraw/zinc/21/75/02/156217502.db2.gz MTZAWEYABYMQNO-IRXDYDNUSA-N 2 1 277.456 2.055 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccn2)[C@H]2CCC[C@@H]21 ZINC000367618935 156218280 /nfs/dbraw/zinc/21/82/80/156218280.db2.gz ULOVLBOAPVPUCP-PMPSAXMXSA-N 2 1 259.397 2.087 20 0 CEADMP CN(C)c1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367755176 156235845 /nfs/dbraw/zinc/23/58/45/156235845.db2.gz OACCZKDJNZMKIK-OAGGEKHMSA-N 2 1 288.439 2.110 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(F)c2)[C@H]2CCC[C@H]21 ZINC000368607797 156371730 /nfs/dbraw/zinc/37/17/30/156371730.db2.gz IXHQLXPXXRWILT-TWMKSMIVSA-N 2 1 292.398 2.322 20 0 CEADMP CC(C)OC1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000375088155 157050626 /nfs/dbraw/zinc/05/06/26/157050626.db2.gz PZKLLYKBZCFTLF-JLVJUDLZSA-N 2 1 252.402 2.159 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCCCCF)C2)CC1 ZINC000375374577 157089728 /nfs/dbraw/zinc/08/97/28/157089728.db2.gz YNBGVGKCMHLJQM-INIZCTEOSA-N 2 1 285.451 2.228 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCCCCF)C2)CC1 ZINC000375374577 157089729 /nfs/dbraw/zinc/08/97/29/157089729.db2.gz YNBGVGKCMHLJQM-INIZCTEOSA-N 2 1 285.451 2.228 20 0 CEADMP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CCCCn1cc[nH+]c1C ZINC000375743130 157137651 /nfs/dbraw/zinc/13/76/51/157137651.db2.gz NLBRTXLHCCIWEY-SMLCLMEVSA-N 2 1 289.423 2.327 20 0 CEADMP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CCCCn1cc[nH+]c1C ZINC000375743130 157137653 /nfs/dbraw/zinc/13/76/53/157137653.db2.gz NLBRTXLHCCIWEY-SMLCLMEVSA-N 2 1 289.423 2.327 20 0 CEADMP CCn1cc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC000376442250 157225108 /nfs/dbraw/zinc/22/51/08/157225108.db2.gz MLDOQCZVYWGQGD-QWHCGFSZSA-N 2 1 273.384 2.013 20 0 CEADMP C[C@@H]1COC[C@H](C)[N@@H+]1CCCCC[NH+]1[C@@H](C)COC[C@@H]1C ZINC000120758856 297152329 /nfs/dbraw/zinc/15/23/29/297152329.db2.gz FHTKJBHZKBGNGE-LUKYLMHMSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCOC[C@@H]1C ZINC000195121707 286835583 /nfs/dbraw/zinc/83/55/83/286835583.db2.gz BAFSLKNVUIUYGI-KKUMJFAQSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000168631199 162366277 /nfs/dbraw/zinc/36/62/77/162366277.db2.gz CNSFNIZVPGUYPJ-DZGCQCFKSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000168631199 162366279 /nfs/dbraw/zinc/36/62/79/162366279.db2.gz CNSFNIZVPGUYPJ-DZGCQCFKSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000168680349 162368909 /nfs/dbraw/zinc/36/89/09/162368909.db2.gz CDZJIVBIAQXPBU-NWDGAFQWSA-N 2 1 295.814 2.338 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000168650647 162369212 /nfs/dbraw/zinc/36/92/12/162369212.db2.gz PVGGZZPJNMLXFP-UKRRQHHQSA-N 2 1 270.380 2.041 20 0 CEADMP CCCCCNC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173617613 165078865 /nfs/dbraw/zinc/07/88/65/165078865.db2.gz TYKSNAIOXMCGDF-AWEZNQCLSA-N 2 1 283.460 2.144 20 0 CEADMP Cc1nc(C)c([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)s1 ZINC000178521565 165243419 /nfs/dbraw/zinc/24/34/19/165243419.db2.gz WWBQFWWVXIVBFE-LLVKDONJSA-N 2 1 297.468 2.257 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000178514737 165245474 /nfs/dbraw/zinc/24/54/74/165245474.db2.gz GMOAVSIQSURAQF-MCIONIFRSA-N 2 1 294.443 2.444 20 0 CEADMP CCn1nccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180783674 165322005 /nfs/dbraw/zinc/32/20/05/165322005.db2.gz HWSTVPNDVKIMOV-RHSMWYFYSA-N 2 1 288.439 2.352 20 0 CEADMP F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000563155044 298743938 /nfs/dbraw/zinc/74/39/38/298743938.db2.gz ZAUBOENAYPIYGT-KHMAMNHCSA-N 2 1 270.392 2.014 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCN1CC(F)F ZINC000414705135 287198184 /nfs/dbraw/zinc/19/81/84/287198184.db2.gz LDEWLXBPPCTXJD-BFHYXJOUSA-N 2 1 289.414 2.036 20 0 CEADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000193131283 287219672 /nfs/dbraw/zinc/21/96/72/287219672.db2.gz JRHNBOHGNQPKQE-HZPDHXFCSA-N 2 1 281.488 2.428 20 0 CEADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000020187474 171052288 /nfs/dbraw/zinc/05/22/88/171052288.db2.gz PRKAHOUUVLXKEN-LBPRGKRZSA-N 2 1 275.396 2.390 20 0 CEADMP COc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1O ZINC000020188967 171053919 /nfs/dbraw/zinc/05/39/19/171053919.db2.gz XLMYKYNEJJFDEV-UHFFFAOYSA-N 2 1 278.396 2.363 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237668930 287266364 /nfs/dbraw/zinc/26/63/64/287266364.db2.gz ZEBGIMGNJSLKAE-BZUAXINKSA-N 2 1 295.471 2.275 20 0 CEADMP C[NH+]1CCC(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000037266981 173076225 /nfs/dbraw/zinc/07/62/25/173076225.db2.gz IADFURJSUNMRFR-SFHVURJKSA-N 2 1 287.451 2.335 20 0 CEADMP C[NH+]1CCC(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000037266981 173076227 /nfs/dbraw/zinc/07/62/27/173076227.db2.gz IADFURJSUNMRFR-SFHVURJKSA-N 2 1 287.451 2.335 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000037267133 173077341 /nfs/dbraw/zinc/07/73/41/173077341.db2.gz KLCOWZMUYDUERP-NSHDSACASA-N 2 1 262.353 2.160 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000037267025 173078085 /nfs/dbraw/zinc/07/80/85/173078085.db2.gz DXRITPMMYBEYAO-CYBMUJFWSA-N 2 1 292.423 2.319 20 0 CEADMP C[NH+](C)CCCN[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000037325845 173126482 /nfs/dbraw/zinc/12/64/82/173126482.db2.gz ZEMPEPWQESIDTI-KRWDZBQOSA-N 2 1 275.440 2.192 20 0 CEADMP C[NH+](C)CCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000037325845 173126484 /nfs/dbraw/zinc/12/64/84/173126484.db2.gz ZEMPEPWQESIDTI-KRWDZBQOSA-N 2 1 275.440 2.192 20 0 CEADMP COc1ccc(OC)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037408203 173183786 /nfs/dbraw/zinc/18/37/86/173183786.db2.gz FEUALFWOBJLGFG-CYBMUJFWSA-N 2 1 290.407 2.278 20 0 CEADMP COc1ccc(OC)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037408203 173183789 /nfs/dbraw/zinc/18/37/89/173183789.db2.gz FEUALFWOBJLGFG-CYBMUJFWSA-N 2 1 290.407 2.278 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000228968619 298892875 /nfs/dbraw/zinc/89/28/75/298892875.db2.gz AMLFFELSKNVVNW-HZSPNIEDSA-N 2 1 283.460 2.190 20 0 CEADMP CCC[N@@H+](Cc1ccc(C(=O)OC)cc1)C1CC[NH2+]CC1 ZINC000037539366 173259825 /nfs/dbraw/zinc/25/98/25/173259825.db2.gz WNAUWHDTIIPOLM-UHFFFAOYSA-N 2 1 290.407 2.437 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000040622247 174354757 /nfs/dbraw/zinc/35/47/57/174354757.db2.gz VHKFFKRXEUFPEE-HNNXBMFYSA-N 2 1 290.407 2.278 20 0 CEADMP [NH3+]CCCCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000040694440 174378157 /nfs/dbraw/zinc/37/81/57/174378157.db2.gz JPKPVQNEQBGKCO-UHFFFAOYSA-N 2 1 267.461 2.456 20 0 CEADMP COC(=O)c1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000040746836 174392305 /nfs/dbraw/zinc/39/23/05/174392305.db2.gz CXPOGHKBYXEHSP-XYPWUTKMSA-N 2 1 288.391 2.188 20 0 CEADMP COC(=O)c1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000040746836 174392306 /nfs/dbraw/zinc/39/23/06/174392306.db2.gz CXPOGHKBYXEHSP-XYPWUTKMSA-N 2 1 288.391 2.188 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404279829 414777167 /nfs/dbraw/zinc/77/71/67/414777167.db2.gz AAAHVZTUXAROOF-YPMHNXCESA-N 2 1 267.442 2.443 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404353509 414780887 /nfs/dbraw/zinc/78/08/87/414780887.db2.gz KMAYBGOVZRJDEB-YGRLFVJLSA-N 2 1 251.374 2.241 20 0 CEADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000404400797 414783396 /nfs/dbraw/zinc/78/33/96/414783396.db2.gz QYOMVSFCIRQJRD-ZBFHGGJFSA-N 2 1 289.423 2.383 20 0 CEADMP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000404400797 414783403 /nfs/dbraw/zinc/78/34/03/414783403.db2.gz QYOMVSFCIRQJRD-ZBFHGGJFSA-N 2 1 289.423 2.383 20 0 CEADMP CC[C@@H]1C[N@@H+](CCc2scnc2C)CC[C@@H]1[NH3+] ZINC000122816207 414790330 /nfs/dbraw/zinc/79/03/30/414790330.db2.gz PIRUFVGNKAQTJU-NEPJUHHUSA-N 2 1 253.415 2.053 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnc3ccccn23)C1 ZINC000657182872 414797351 /nfs/dbraw/zinc/79/73/51/414797351.db2.gz WZILOUIZRVKODJ-AWEZNQCLSA-N 2 1 272.396 2.156 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000125108180 414797338 /nfs/dbraw/zinc/79/73/38/414797338.db2.gz AKXDICIQMAKFBV-ZNMIVQPWSA-N 2 1 264.413 2.018 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000657182834 414798586 /nfs/dbraw/zinc/79/85/86/414798586.db2.gz KBPMTIZRHFWTSF-CYBMUJFWSA-N 2 1 272.396 2.384 20 0 CEADMP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000657182834 414798591 /nfs/dbraw/zinc/79/85/91/414798591.db2.gz KBPMTIZRHFWTSF-CYBMUJFWSA-N 2 1 272.396 2.384 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000657182834 414798595 /nfs/dbraw/zinc/79/85/95/414798595.db2.gz KBPMTIZRHFWTSF-CYBMUJFWSA-N 2 1 272.396 2.384 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000420917368 414807593 /nfs/dbraw/zinc/80/75/93/414807593.db2.gz RCESUYXVXVNXTR-VNQPRFMTSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCO1 ZINC000420917368 414807596 /nfs/dbraw/zinc/80/75/96/414807596.db2.gz RCESUYXVXVNXTR-VNQPRFMTSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCO1 ZINC000420917368 414807598 /nfs/dbraw/zinc/80/75/98/414807598.db2.gz RCESUYXVXVNXTR-VNQPRFMTSA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCC(C)(C)C1 ZINC000660452198 414828045 /nfs/dbraw/zinc/82/80/45/414828045.db2.gz CNZFXWXIYDAAQC-UONOGXRCSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000660452198 414828047 /nfs/dbraw/zinc/82/80/47/414828047.db2.gz CNZFXWXIYDAAQC-UONOGXRCSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000660452198 414828051 /nfs/dbraw/zinc/82/80/51/414828051.db2.gz CNZFXWXIYDAAQC-UONOGXRCSA-N 2 1 256.434 2.198 20 0 CEADMP Cc1c[nH]c(CNCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000657293687 414835786 /nfs/dbraw/zinc/83/57/86/414835786.db2.gz SONSKDGGNOXYKY-ZDUSSCGKSA-N 2 1 250.390 2.072 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+]CCC[NH+]1CCCC1 ZINC000657295669 414840160 /nfs/dbraw/zinc/84/01/60/414840160.db2.gz HIORVZOJEZSEHO-UHFFFAOYSA-N 2 1 276.428 2.263 20 0 CEADMP CCn1nc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000307967863 414853858 /nfs/dbraw/zinc/85/38/58/414853858.db2.gz TYZGZRBAQRKVQJ-DOTOQJQBSA-N 2 1 290.455 2.484 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000307967863 414853863 /nfs/dbraw/zinc/85/38/63/414853863.db2.gz TYZGZRBAQRKVQJ-DOTOQJQBSA-N 2 1 290.455 2.484 20 0 CEADMP CCn1nc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000307967864 414854314 /nfs/dbraw/zinc/85/43/14/414854314.db2.gz TYZGZRBAQRKVQJ-NVXWUHKLSA-N 2 1 290.455 2.484 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000307967864 414854319 /nfs/dbraw/zinc/85/43/19/414854319.db2.gz TYZGZRBAQRKVQJ-NVXWUHKLSA-N 2 1 290.455 2.484 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000311655419 414861009 /nfs/dbraw/zinc/86/10/09/414861009.db2.gz DRLOERBBEKDLSK-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000311655419 414861014 /nfs/dbraw/zinc/86/10/14/414861014.db2.gz DRLOERBBEKDLSK-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP c1ccc2c(c1)OCC[C@H]2C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000312216637 414863368 /nfs/dbraw/zinc/86/33/68/414863368.db2.gz BTTRWIFSLROPMM-YOEHRIQHSA-N 2 1 272.392 2.238 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C)CCN1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660630217 414905573 /nfs/dbraw/zinc/90/55/73/414905573.db2.gz OHHYPXDCTGPKTE-BBWFWOEESA-N 2 1 281.488 2.236 20 0 CEADMP CC(C)[C@@H]1C[NH+](C)CCN1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660630217 414905581 /nfs/dbraw/zinc/90/55/81/414905581.db2.gz OHHYPXDCTGPKTE-BBWFWOEESA-N 2 1 281.488 2.236 20 0 CEADMP CC(C)[C@@H]1C[NH+](C)CCN1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660630217 414905583 /nfs/dbraw/zinc/90/55/83/414905583.db2.gz OHHYPXDCTGPKTE-BBWFWOEESA-N 2 1 281.488 2.236 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C1CCC1 ZINC000660638755 414912109 /nfs/dbraw/zinc/91/21/09/414912109.db2.gz CLZMXJLEUKZYHM-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C1CCC1 ZINC000660638755 414912115 /nfs/dbraw/zinc/91/21/15/414912115.db2.gz CLZMXJLEUKZYHM-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C1CCC1 ZINC000660638755 414912118 /nfs/dbraw/zinc/91/21/18/414912118.db2.gz CLZMXJLEUKZYHM-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCOCC(F)(F)F)C2 ZINC000660654426 414917555 /nfs/dbraw/zinc/91/75/55/414917555.db2.gz GGRFLSILUOBCMN-ZDUSSCGKSA-N 2 1 294.361 2.373 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCOCC(F)(F)F)C2 ZINC000660654426 414917556 /nfs/dbraw/zinc/91/75/56/414917556.db2.gz GGRFLSILUOBCMN-ZDUSSCGKSA-N 2 1 294.361 2.373 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCOCC(F)(F)F)C2 ZINC000660654426 414917559 /nfs/dbraw/zinc/91/75/59/414917559.db2.gz GGRFLSILUOBCMN-ZDUSSCGKSA-N 2 1 294.361 2.373 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCCN(CC[C@@H]1CCCC[NH+]1C)C2 ZINC000660654110 414918142 /nfs/dbraw/zinc/91/81/42/414918142.db2.gz CVXFMGMKZWJQPB-DLBZAZTESA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCCN(CC[C@@H]1CCCC[N@@H+]1C)C2 ZINC000660654110 414918146 /nfs/dbraw/zinc/91/81/46/414918146.db2.gz CVXFMGMKZWJQPB-DLBZAZTESA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCCN(CC[C@@H]1CCCC[N@H+]1C)C2 ZINC000660654110 414918149 /nfs/dbraw/zinc/91/81/49/414918149.db2.gz CVXFMGMKZWJQPB-DLBZAZTESA-N 2 1 279.472 2.279 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CNCc2cnn3c2CCC3)C1 ZINC000657414087 414918670 /nfs/dbraw/zinc/91/86/70/414918670.db2.gz UPUIETXYGAQPEJ-HNNXBMFYSA-N 2 1 290.455 2.287 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657414087 414918675 /nfs/dbraw/zinc/91/86/75/414918675.db2.gz UPUIETXYGAQPEJ-HNNXBMFYSA-N 2 1 290.455 2.287 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657414087 414918681 /nfs/dbraw/zinc/91/86/81/414918681.db2.gz UPUIETXYGAQPEJ-HNNXBMFYSA-N 2 1 290.455 2.287 20 0 CEADMP CCOc1ccc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)nc1 ZINC000660658330 414920252 /nfs/dbraw/zinc/92/02/52/414920252.db2.gz YODFXOWJRKWADD-QGZVFWFLSA-N 2 1 289.423 2.398 20 0 CEADMP FCCOCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000663339955 414920311 /nfs/dbraw/zinc/92/03/11/414920311.db2.gz FNGPDBQFBPQOPW-UHFFFAOYSA-N 2 1 280.387 2.227 20 0 CEADMP CCc1nocc1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660663427 414922394 /nfs/dbraw/zinc/92/23/94/414922394.db2.gz NZCZMJAOLVZWOM-OAHLLOKOSA-N 2 1 263.385 2.155 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCO1 ZINC000663345591 414923817 /nfs/dbraw/zinc/92/38/17/414923817.db2.gz LIEASUVSJFTXRD-VNQPRFMTSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCCN(CCc1cscn1)C2 ZINC000660662645 414924073 /nfs/dbraw/zinc/92/40/73/414924073.db2.gz KHYCFAGWFQQFCP-CQSZACIVSA-N 2 1 265.426 2.103 20 0 CEADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1cscn1)C2 ZINC000660662645 414924077 /nfs/dbraw/zinc/92/40/77/414924077.db2.gz KHYCFAGWFQQFCP-CQSZACIVSA-N 2 1 265.426 2.103 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1cscn1)C2 ZINC000660662645 414924082 /nfs/dbraw/zinc/92/40/82/414924082.db2.gz KHYCFAGWFQQFCP-CQSZACIVSA-N 2 1 265.426 2.103 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1cscn1)C2 ZINC000660662645 414924086 /nfs/dbraw/zinc/92/40/86/414924086.db2.gz KHYCFAGWFQQFCP-CQSZACIVSA-N 2 1 265.426 2.103 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1cscn1)C2 ZINC000660662645 414924091 /nfs/dbraw/zinc/92/40/91/414924091.db2.gz KHYCFAGWFQQFCP-CQSZACIVSA-N 2 1 265.426 2.103 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653148923 414926594 /nfs/dbraw/zinc/92/65/94/414926594.db2.gz PXNLVYNNTIARMN-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccncc1F)C2 ZINC000660665816 414927582 /nfs/dbraw/zinc/92/75/82/414927582.db2.gz XWFMMJOEJXJXAZ-OAHLLOKOSA-N 2 1 263.360 2.138 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)C1CCCCC1)C2 ZINC000660665489 414927898 /nfs/dbraw/zinc/92/78/98/414927898.db2.gz WLRKNFJPBXELCN-SJORKVTESA-N 2 1 280.456 2.345 20 0 CEADMP COCc1csc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000657427773 414930593 /nfs/dbraw/zinc/93/05/93/414930593.db2.gz TYTKFTGSUBIXHC-UHFFFAOYSA-N 2 1 266.410 2.246 20 0 CEADMP CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC000660690846 414936108 /nfs/dbraw/zinc/93/61/08/414936108.db2.gz CWNUUJZFUCHQOL-KBPBESRZSA-N 2 1 258.450 2.492 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000653176389 414936633 /nfs/dbraw/zinc/93/66/33/414936633.db2.gz SOWROIJIXYNABP-AWEZNQCLSA-N 2 1 285.476 2.105 20 0 CEADMP Cc1ccc([C@@H]([NH3+])C(=O)NCCC[N@H+](C)CC(C)C)cc1 ZINC000653176098 414937458 /nfs/dbraw/zinc/93/74/58/414937458.db2.gz KATAFBDSLVHLSI-MRXNPFEDSA-N 2 1 291.439 2.089 20 0 CEADMP CC1CCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663234743 414889505 /nfs/dbraw/zinc/88/95/05/414889505.db2.gz VYUVIVFLSCSURG-INIZCTEOSA-N 2 1 292.471 2.365 20 0 CEADMP CN(c1ccccc1)[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000663499553 414970645 /nfs/dbraw/zinc/97/06/45/414970645.db2.gz CQRUNPSWEQXJFP-IRXDYDNUSA-N 2 1 273.424 2.197 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663497289 414971367 /nfs/dbraw/zinc/97/13/67/414971367.db2.gz CTMLBAXQINPNDL-JYDDWQFKSA-N 2 1 285.435 2.164 20 0 CEADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000663499555 414972295 /nfs/dbraw/zinc/97/22/95/414972295.db2.gz CQRUNPSWEQXJFP-SJORKVTESA-N 2 1 273.424 2.197 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CO1 ZINC000657500830 414978925 /nfs/dbraw/zinc/97/89/25/414978925.db2.gz SUFXIFXXJVQFCF-BDXSIMOUSA-N 2 1 288.435 2.489 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C2CCCC2)C1 ZINC000660833445 414995361 /nfs/dbraw/zinc/99/53/61/414995361.db2.gz RQTAIRMIOYLWIO-CVEARBPZSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](NCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657563322 415002070 /nfs/dbraw/zinc/00/20/70/415002070.db2.gz LVTGIUVTZHUGGF-CQSZACIVSA-N 2 1 299.422 2.230 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CO1 ZINC000657457097 414947396 /nfs/dbraw/zinc/94/73/96/414947396.db2.gz FDIWWTSHUVOLOO-OOJKYFRXSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466366 414962081 /nfs/dbraw/zinc/96/20/81/414962081.db2.gz RTZWFPQWJKMKEB-FVQBIDKESA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000663468041 414963060 /nfs/dbraw/zinc/96/30/60/414963060.db2.gz JYHQXNCAZRLPQA-RDJZCZTQSA-N 3 1 293.499 2.428 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000653597296 415048966 /nfs/dbraw/zinc/04/89/66/415048966.db2.gz KDUOHYIGFAALET-HOTGVXAUSA-N 2 1 291.439 2.491 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000653597296 415048971 /nfs/dbraw/zinc/04/89/71/415048971.db2.gz KDUOHYIGFAALET-HOTGVXAUSA-N 2 1 291.439 2.491 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000653605472 415051358 /nfs/dbraw/zinc/05/13/58/415051358.db2.gz YPZBPWKLGSJTLU-SJORKVTESA-N 2 1 276.424 2.430 20 0 CEADMP CC(C)[NH2+]C1(CO)CC[NH+](CCCOC(C)(C)C)CC1 ZINC000653728248 415088295 /nfs/dbraw/zinc/08/82/95/415088295.db2.gz IPLKUSYOCXSBBF-UHFFFAOYSA-N 2 1 286.460 2.017 20 0 CEADMP CC1(C)[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)[C@@H]2CCC[C@@H]21 ZINC000657844457 415101820 /nfs/dbraw/zinc/10/18/20/415101820.db2.gz HJILWGANUDSZIE-OWCLPIDISA-N 2 1 280.456 2.248 20 0 CEADMP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CC2(CCCC2)O1 ZINC000653777154 415104270 /nfs/dbraw/zinc/10/42/70/415104270.db2.gz WONVLBSECDZPHI-AWEZNQCLSA-N 2 1 277.412 2.386 20 0 CEADMP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC2(CCCC2)O1 ZINC000653777154 415104273 /nfs/dbraw/zinc/10/42/73/415104273.db2.gz WONVLBSECDZPHI-AWEZNQCLSA-N 2 1 277.412 2.386 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657870254 415108889 /nfs/dbraw/zinc/10/88/89/415108889.db2.gz CYMGVWHPAZVPRO-CABCVRRESA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657870254 415108894 /nfs/dbraw/zinc/10/88/94/415108894.db2.gz CYMGVWHPAZVPRO-CABCVRRESA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657873425 415111087 /nfs/dbraw/zinc/11/10/87/415111087.db2.gz SZVJLFXYNMWEKF-CABCVRRESA-N 2 1 266.429 2.408 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCC12CC2 ZINC000657882391 415112152 /nfs/dbraw/zinc/11/21/52/415112152.db2.gz YXVZEVIXIBVRMJ-LSDHHAIUSA-N 2 1 266.429 2.146 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C(C)(C)C(F)F ZINC000657878198 415112371 /nfs/dbraw/zinc/11/23/71/415112371.db2.gz FDASMRPRLPSHGI-STQMWFEESA-N 2 1 292.414 2.493 20 0 CEADMP CCC(C)(C)[NH+]1CCN(CCCn2cc[nH+]c2C)CC1 ZINC000653811067 415115736 /nfs/dbraw/zinc/11/57/36/415115736.db2.gz ZWQBCZBQEDNGFB-UHFFFAOYSA-N 2 1 278.444 2.388 20 0 CEADMP COC1([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000657918442 415124204 /nfs/dbraw/zinc/12/42/04/415124204.db2.gz COGHNIPXHOIIFV-XHSDSOJGSA-N 2 1 298.471 2.423 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCn2nccc21 ZINC000658043718 415172792 /nfs/dbraw/zinc/17/27/92/415172792.db2.gz RSARINRURFZGKF-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCn2nccc21 ZINC000658043718 415172798 /nfs/dbraw/zinc/17/27/98/415172798.db2.gz RSARINRURFZGKF-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP COC1CC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000658062108 415181421 /nfs/dbraw/zinc/18/14/21/415181421.db2.gz XZJVSBUACRWSLS-UIEKQHFFSA-N 2 1 266.429 2.264 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000044529782 175194296 /nfs/dbraw/zinc/19/42/96/175194296.db2.gz UYVMBJYIKXBWHQ-LBPRGKRZSA-N 2 1 295.814 2.339 20 0 CEADMP CC[C@H](COCC1CC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658089618 415201426 /nfs/dbraw/zinc/20/14/26/415201426.db2.gz AITILNXKBSUFID-CQSZACIVSA-N 2 1 266.429 2.408 20 0 CEADMP CCc1csc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000664194437 415219825 /nfs/dbraw/zinc/21/98/25/415219825.db2.gz DHCMXHKCSQRWHF-LBPRGKRZSA-N 2 1 284.473 2.389 20 0 CEADMP CCc1csc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000664194437 415219834 /nfs/dbraw/zinc/21/98/34/415219834.db2.gz DHCMXHKCSQRWHF-LBPRGKRZSA-N 2 1 284.473 2.389 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2c(C3CC3)cnn2C)[C@@H](C)C1 ZINC000658213575 415259650 /nfs/dbraw/zinc/25/96/50/415259650.db2.gz QZLHQTJMDFPLAU-SWLSCSKDSA-N 2 1 276.428 2.117 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C3CC3)cnn2C)[C@@H](C)C1 ZINC000658213575 415259653 /nfs/dbraw/zinc/25/96/53/415259653.db2.gz QZLHQTJMDFPLAU-SWLSCSKDSA-N 2 1 276.428 2.117 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C3CC3)cnn2C)[C@@H](C)C1 ZINC000658213575 415259655 /nfs/dbraw/zinc/25/96/55/415259655.db2.gz QZLHQTJMDFPLAU-SWLSCSKDSA-N 2 1 276.428 2.117 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1C ZINC000658228100 415264514 /nfs/dbraw/zinc/26/45/14/415264514.db2.gz GBEOQIQNRQOYSN-OAGGEKHMSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000658228100 415264519 /nfs/dbraw/zinc/26/45/19/415264519.db2.gz GBEOQIQNRQOYSN-OAGGEKHMSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000658228100 415264524 /nfs/dbraw/zinc/26/45/24/415264524.db2.gz GBEOQIQNRQOYSN-OAGGEKHMSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCOC1 ZINC000658229573 415265509 /nfs/dbraw/zinc/26/55/09/415265509.db2.gz RYUQAWZQHXNDHZ-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCOC1 ZINC000658229573 415265512 /nfs/dbraw/zinc/26/55/12/415265512.db2.gz RYUQAWZQHXNDHZ-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2(C)C)[C@H]2CCC[C@H]21 ZINC000658329404 415318112 /nfs/dbraw/zinc/31/81/12/415318112.db2.gz FMEDIGFIEXZKIE-LJISPDSOSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)(C)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655699873 415398690 /nfs/dbraw/zinc/39/86/90/415398690.db2.gz HOBICSMBXKJMML-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1(C)C ZINC000655722018 415410698 /nfs/dbraw/zinc/41/06/98/415410698.db2.gz UVSDWMDPNOPWMO-HRCADAONSA-N 2 1 296.455 2.033 20 0 CEADMP CC(C)C1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655732088 415418799 /nfs/dbraw/zinc/41/87/99/415418799.db2.gz XQQLPIFGPCMIFG-OAHLLOKOSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CS1 ZINC000655687980 415386300 /nfs/dbraw/zinc/38/63/00/415386300.db2.gz FBDYFYDRJYLVGF-FRRDWIJNSA-N 2 1 254.443 2.344 20 0 CEADMP C[C@@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000659291244 415492569 /nfs/dbraw/zinc/49/25/69/415492569.db2.gz FKKPWJUSHPWFDS-KGLIPLIRSA-N 2 1 293.455 2.027 20 0 CEADMP COC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCCC1 ZINC000655757905 415436907 /nfs/dbraw/zinc/43/69/07/415436907.db2.gz ZGNYSILQFAYFLM-MRXNPFEDSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)CC(F)(F)F ZINC000655775776 415457229 /nfs/dbraw/zinc/45/72/29/415457229.db2.gz DMIHWRVKVAVHMZ-YPMHNXCESA-N 2 1 294.361 2.418 20 0 CEADMP C[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000655787314 415466899 /nfs/dbraw/zinc/46/68/99/415466899.db2.gz VDUWKLQDRCIPSZ-HUUCEWRRSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1[nH+]ccn1CC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661862461 415504936 /nfs/dbraw/zinc/50/49/36/415504936.db2.gz HNJFKRNDPFDSPY-INIZCTEOSA-N 2 1 277.412 2.473 20 0 CEADMP Cn1ncc2c1CC(C)(C)C[N@H+](CC[C@@H]1CCC[NH+]1C)C2 ZINC000664877715 415508575 /nfs/dbraw/zinc/50/85/75/415508575.db2.gz QVJWSLNWTMXRJJ-HNNXBMFYSA-N 2 1 290.455 2.289 20 0 CEADMP Cn1ncc2c1CC(C)(C)C[N@@H+](CC[C@@H]1CCC[NH+]1C)C2 ZINC000664877715 415508581 /nfs/dbraw/zinc/50/85/81/415508581.db2.gz QVJWSLNWTMXRJJ-HNNXBMFYSA-N 2 1 290.455 2.289 20 0 CEADMP Cn1ncc2c1CC(C)(C)C[NH+](CC[C@@H]1CCC[N@@H+]1C)C2 ZINC000664877715 415508587 /nfs/dbraw/zinc/50/85/87/415508587.db2.gz QVJWSLNWTMXRJJ-HNNXBMFYSA-N 2 1 290.455 2.289 20 0 CEADMP Cn1ncc2c1CC(C)(C)C[NH+](CC[C@@H]1CCC[N@H+]1C)C2 ZINC000664877715 415508594 /nfs/dbraw/zinc/50/85/94/415508594.db2.gz QVJWSLNWTMXRJJ-HNNXBMFYSA-N 2 1 290.455 2.289 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccn2)[C@H](C)C1 ZINC000655838217 415510971 /nfs/dbraw/zinc/51/09/71/415510971.db2.gz KXAAGZKBZFMLJY-YCPHGPKFSA-N 2 1 261.413 2.333 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCCCO1 ZINC000655850653 415520259 /nfs/dbraw/zinc/52/02/59/415520259.db2.gz YGWZQEKSHPIHSO-XGUBFFRZSA-N 2 1 254.418 2.406 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCCCO1 ZINC000655850653 415520265 /nfs/dbraw/zinc/52/02/65/415520265.db2.gz YGWZQEKSHPIHSO-XGUBFFRZSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@H]1COC2(CCCC2)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000661979473 415554019 /nfs/dbraw/zinc/55/40/19/415554019.db2.gz XUIRXKWBDHDCGO-AWEZNQCLSA-N 2 1 277.412 2.386 20 0 CEADMP C[C@H]1COC2(CCCC2)C[N@H+]1CCCc1c[nH+]cn1C ZINC000661979473 415554024 /nfs/dbraw/zinc/55/40/24/415554024.db2.gz XUIRXKWBDHDCGO-AWEZNQCLSA-N 2 1 277.412 2.386 20 0 CEADMP C[C@@H]1CC[N@@H+](CCc2noc3ccccc32)C[C@@H]1C[NH3+] ZINC000655940089 415558209 /nfs/dbraw/zinc/55/82/09/415558209.db2.gz PBCWIRQYSDWPRL-OLZOCXBDSA-N 2 1 273.380 2.287 20 0 CEADMP CC(C)(CC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)C1CC1 ZINC000655940843 415558965 /nfs/dbraw/zinc/55/89/65/415558965.db2.gz ZAQOLAUKZLQSKM-HNNXBMFYSA-N 2 1 291.443 2.200 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1noc2ccccc21 ZINC000655942362 415560709 /nfs/dbraw/zinc/56/07/09/415560709.db2.gz OVLLHTLLDVQJCW-NEPJUHHUSA-N 2 1 259.353 2.182 20 0 CEADMP COc1cccc2c1OCC[C@@H]2[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000656194594 415628510 /nfs/dbraw/zinc/62/85/10/415628510.db2.gz MAXVCUAYNZHBDP-BBRMVZONSA-N 2 1 276.380 2.108 20 0 CEADMP COC[C@H](CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)OC ZINC000665234493 415635629 /nfs/dbraw/zinc/63/56/29/415635629.db2.gz DKEYCGUOWCKGIP-YESZJQIVSA-N 2 1 292.423 2.121 20 0 CEADMP C[C@@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1c[nH+]ccc1N ZINC000665236379 415637382 /nfs/dbraw/zinc/63/73/82/415637382.db2.gz LLISNDRCHUBVRS-VXGBXAGGSA-N 2 1 262.401 2.018 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000665238840 415640442 /nfs/dbraw/zinc/64/04/42/415640442.db2.gz FXADKQAABIITBK-CXAGYDPISA-N 2 1 269.392 2.365 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665267026 415662309 /nfs/dbraw/zinc/66/23/09/415662309.db2.gz ODVKKRMWMANNJQ-BFHYXJOUSA-N 2 1 253.434 2.109 20 0 CEADMP C[C@H](NCC12CC(C1)C[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665278818 415669411 /nfs/dbraw/zinc/66/94/11/415669411.db2.gz PLNWBKROIBPCMS-WEOZKBJRSA-N 2 1 299.462 2.239 20 0 CEADMP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OC)cc1 ZINC000665277379 415670914 /nfs/dbraw/zinc/67/09/14/415670914.db2.gz ZZPCCFYEVXRHAL-DSSZZKGTSA-N 2 1 260.381 2.488 20 0 CEADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291633 415679323 /nfs/dbraw/zinc/67/93/23/415679323.db2.gz GZLVVNNCIGSQKH-SMDDNHRTSA-N 2 1 298.390 2.287 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH2+]C)C12CCCCC2 ZINC000665295846 415682298 /nfs/dbraw/zinc/68/22/98/415682298.db2.gz KKQGGPDDGGUDQC-BFHYXJOUSA-N 2 1 254.418 2.312 20 0 CEADMP [NH3+]CC1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000665299199 415684022 /nfs/dbraw/zinc/68/40/22/415684022.db2.gz IJEFWVLAGQZFIO-ARWYELJZSA-N 3 1 279.472 2.216 20 0 CEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000665297472 415686128 /nfs/dbraw/zinc/68/61/28/415686128.db2.gz GJJMGVKFKLOGCI-ZBFHGGJFSA-N 2 1 264.413 2.425 20 0 CEADMP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665300018 415688296 /nfs/dbraw/zinc/68/82/96/415688296.db2.gz WMJWLVXEIXNPDO-ZJPYXAASSA-N 3 1 291.483 2.086 20 0 CEADMP c1cc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cs1 ZINC000662251131 415717336 /nfs/dbraw/zinc/71/73/36/415717336.db2.gz ZNRRGGVROJVZNC-ZIAGYGMSSA-N 2 1 278.421 2.406 20 0 CEADMP CC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258398 415722998 /nfs/dbraw/zinc/72/29/98/415722998.db2.gz ULEAICJNIFYBKF-STQMWFEESA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662266215 415731788 /nfs/dbraw/zinc/73/17/88/415731788.db2.gz KTYNMEZMLFHZSJ-CMPLNLGQSA-N 2 1 298.333 2.220 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)C1CCCC1 ZINC000662244630 415707778 /nfs/dbraw/zinc/70/77/78/415707778.db2.gz JECQWCXPMFVSTQ-AEGPPILISA-N 2 1 254.418 2.251 20 0 CEADMP C[C@](C[NH3+])([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)C1CC1 ZINC000662246658 415708237 /nfs/dbraw/zinc/70/82/37/415708237.db2.gz AJEUZVZBRGXLGY-CQSZACIVSA-N 2 1 298.333 2.268 20 0 CEADMP CC[N@H+](Cc1cccs1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248616 415710984 /nfs/dbraw/zinc/71/09/84/415710984.db2.gz HRPSABNKPSTWHS-LBPRGKRZSA-N 2 1 266.410 2.091 20 0 CEADMP CC(C)C[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250415 415711788 /nfs/dbraw/zinc/71/17/88/415711788.db2.gz HKYYPOLBLZYCEC-KGLIPLIRSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248382 415712869 /nfs/dbraw/zinc/71/28/69/415712869.db2.gz AGOJNCIQPGRHIB-WCQYABFASA-N 2 1 296.361 2.479 20 0 CEADMP c1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cs1 ZINC000662251128 415715278 /nfs/dbraw/zinc/71/52/78/415715278.db2.gz ZNRRGGVROJVZNC-KBPBESRZSA-N 2 1 278.421 2.406 20 0 CEADMP Cn1cncc1CCC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000662272686 415739814 /nfs/dbraw/zinc/73/98/14/415739814.db2.gz ICAPSMLDFPIJCL-UHFFFAOYSA-N 2 1 278.444 2.194 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](CCC[NH3+])CC1CCCC1 ZINC000662272686 415739816 /nfs/dbraw/zinc/73/98/16/415739816.db2.gz ICAPSMLDFPIJCL-UHFFFAOYSA-N 3 1 278.444 2.194 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000662272686 415739822 /nfs/dbraw/zinc/73/98/22/415739822.db2.gz ICAPSMLDFPIJCL-UHFFFAOYSA-N 3 1 278.444 2.194 20 0 CEADMP COc1cccc(SCC[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000662273615 415740711 /nfs/dbraw/zinc/74/07/11/415740711.db2.gz PQLRTPHJNJPBMV-OAHLLOKOSA-N 2 1 280.437 2.458 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@](C)(C[NH3+])C1)C1CCCCC1 ZINC000662274600 415742455 /nfs/dbraw/zinc/74/24/55/415742455.db2.gz XRJPTEQCUXNVOO-CABCVRRESA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)[N@@H+](CC1CCC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662280470 415746327 /nfs/dbraw/zinc/74/63/27/415746327.db2.gz FBTGISTXLJOGON-AWEZNQCLSA-N 2 1 252.402 2.018 20 0 CEADMP c1cc(C[N@H+]2CCOCC3(CCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662282704 415747836 /nfs/dbraw/zinc/74/78/36/415747836.db2.gz PZADMCBNYQATCS-UHFFFAOYSA-N 2 1 286.419 2.335 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1cccc3c1CC[NH2+]C3)CC[NH2+]CC2 ZINC000662283454 415749234 /nfs/dbraw/zinc/74/92/34/415749234.db2.gz OLAXDZTWRFQADO-HNNXBMFYSA-N 3 1 299.462 2.296 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CCCCC1 ZINC000662273838 415737779 /nfs/dbraw/zinc/73/77/79/415737779.db2.gz QDJIPNZNCHBUBH-HRCADAONSA-N 2 1 266.429 2.266 20 0 CEADMP [NH3+]CC12CC(C1)C[N@@H+]2CCCOCCc1ccccc1 ZINC000662308124 415769751 /nfs/dbraw/zinc/76/97/51/415769751.db2.gz WVFDEWIQOCZQHK-UHFFFAOYSA-N 2 1 274.408 2.059 20 0 CEADMP [NH3+]CC12CC(C1)C[N@H+]2CCCOCCc1ccccc1 ZINC000662308124 415769760 /nfs/dbraw/zinc/76/97/60/415769760.db2.gz WVFDEWIQOCZQHK-UHFFFAOYSA-N 2 1 274.408 2.059 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662314113 415775437 /nfs/dbraw/zinc/77/54/37/415775437.db2.gz MULZEMVEIJMMID-HZPDHXFCSA-N 2 1 297.487 2.474 20 0 CEADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662285449 415752415 /nfs/dbraw/zinc/75/24/15/415752415.db2.gz KARFUBIQVWDQMM-CABCVRRESA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)n1ncnc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293405 415754486 /nfs/dbraw/zinc/75/44/86/415754486.db2.gz KRFKCYQXXLIASW-OAHLLOKOSA-N 2 1 291.443 2.071 20 0 CEADMP Cc1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)o1 ZINC000662293386 415756482 /nfs/dbraw/zinc/75/64/82/415756482.db2.gz RJBRQIIOPZGBBK-CQSZACIVSA-N 2 1 263.385 2.195 20 0 CEADMP c1ccc(O[C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000662318016 415777689 /nfs/dbraw/zinc/77/76/89/415777689.db2.gz WAESDUIMTSDLLZ-GDBMZVCRSA-N 2 1 260.381 2.139 20 0 CEADMP CC(C)COCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296132 415758337 /nfs/dbraw/zinc/75/83/37/415758337.db2.gz XYHAYAOWDNEPMB-MRXNPFEDSA-N 2 1 268.445 2.371 20 0 CEADMP COc1ccc(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)cn1 ZINC000662294947 415759138 /nfs/dbraw/zinc/75/91/38/415759138.db2.gz IKFATSCKVIGDFY-UHFFFAOYSA-N 2 1 297.402 2.368 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000659997596 415839497 /nfs/dbraw/zinc/83/94/97/415839497.db2.gz UFFXAZIYOLKCIA-WBVHZDCISA-N 2 1 294.414 2.316 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000659997596 415839502 /nfs/dbraw/zinc/83/95/02/415839502.db2.gz UFFXAZIYOLKCIA-WBVHZDCISA-N 2 1 294.414 2.316 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000659997596 415839505 /nfs/dbraw/zinc/83/95/05/415839505.db2.gz UFFXAZIYOLKCIA-WBVHZDCISA-N 2 1 294.414 2.316 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000659997596 415839508 /nfs/dbraw/zinc/83/95/08/415839508.db2.gz UFFXAZIYOLKCIA-WBVHZDCISA-N 2 1 294.414 2.316 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000662450335 415848814 /nfs/dbraw/zinc/84/88/14/415848814.db2.gz MYOAKFQNEKGXAA-XHSDSOJGSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000659920392 415780674 /nfs/dbraw/zinc/78/06/74/415780674.db2.gz OSZRTLNLYQHQMN-UXLLHSPISA-N 2 1 279.472 2.133 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN(C)[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000659920392 415780680 /nfs/dbraw/zinc/78/06/80/415780680.db2.gz OSZRTLNLYQHQMN-UXLLHSPISA-N 2 1 279.472 2.133 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN(C)[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000659920392 415780682 /nfs/dbraw/zinc/78/06/82/415780682.db2.gz OSZRTLNLYQHQMN-UXLLHSPISA-N 2 1 279.472 2.133 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC2(C)CCC2)CCO1 ZINC000662323962 415781646 /nfs/dbraw/zinc/78/16/46/415781646.db2.gz QZOOQKWSLNCFIY-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCN(C)[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000659920383 415783203 /nfs/dbraw/zinc/78/32/03/415783203.db2.gz OSZRTLNLYQHQMN-BFYDXBDKSA-N 2 1 279.472 2.133 20 0 CEADMP FCCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326853 415785678 /nfs/dbraw/zinc/78/56/78/415785678.db2.gz DUESETVHEPOTLE-UHFFFAOYSA-N 2 1 294.418 2.416 20 0 CEADMP FC1(F)C[C@H]1OCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659943367 415798597 /nfs/dbraw/zinc/79/85/97/415798597.db2.gz BQLSYVNJDLKMKO-ZIAGYGMSSA-N 2 1 288.382 2.361 20 0 CEADMP FC1(F)C[C@H]1OCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659943367 415798604 /nfs/dbraw/zinc/79/86/04/415798604.db2.gz BQLSYVNJDLKMKO-ZIAGYGMSSA-N 2 1 288.382 2.361 20 0 CEADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCO[C@H]2CC2(F)F)C1 ZINC000659973489 415817747 /nfs/dbraw/zinc/81/77/47/415817747.db2.gz FQPXNAVGONSERM-KBPBESRZSA-N 2 1 288.382 2.074 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCO[C@H]2CC2(F)F)C1 ZINC000659973489 415817752 /nfs/dbraw/zinc/81/77/52/415817752.db2.gz FQPXNAVGONSERM-KBPBESRZSA-N 2 1 288.382 2.074 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000659973489 415817757 /nfs/dbraw/zinc/81/77/57/415817757.db2.gz FQPXNAVGONSERM-KBPBESRZSA-N 2 1 288.382 2.074 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000659973489 415817761 /nfs/dbraw/zinc/81/77/61/415817761.db2.gz FQPXNAVGONSERM-KBPBESRZSA-N 2 1 288.382 2.074 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCC(=O)NCC(C)C)C1 ZINC000659977209 415822788 /nfs/dbraw/zinc/82/27/88/415822788.db2.gz XFJJVWQQQSDSAL-INIZCTEOSA-N 2 1 297.487 2.203 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CCC2)[C@H](C)C1 ZINC000660081193 415874077 /nfs/dbraw/zinc/87/40/77/415874077.db2.gz GCPNKLKYMYUZFS-VNQPRFMTSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)C2CCC2)[C@H](C)C1 ZINC000660081193 415874084 /nfs/dbraw/zinc/87/40/84/415874084.db2.gz GCPNKLKYMYUZFS-VNQPRFMTSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)C2CCC2)[C@H](C)C1 ZINC000660081193 415874088 /nfs/dbraw/zinc/87/40/88/415874088.db2.gz GCPNKLKYMYUZFS-VNQPRFMTSA-N 2 1 268.445 2.464 20 0 CEADMP CN(CC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000660138924 415899965 /nfs/dbraw/zinc/89/99/65/415899965.db2.gz BDAIBIYZTITOCB-IXDOHACOSA-N 2 1 293.499 2.380 20 0 CEADMP CN(CC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000660138925 415900327 /nfs/dbraw/zinc/90/03/27/415900327.db2.gz BDAIBIYZTITOCB-ZACQAIPSSA-N 2 1 293.499 2.380 20 0 CEADMP C[N@@H+](CCNC(=O)C1([NH2+]C2CC2)CCC1)C1CCCCC1 ZINC000662680969 415929628 /nfs/dbraw/zinc/92/96/28/415929628.db2.gz QHHZOJJVJHNQCH-UHFFFAOYSA-N 2 1 293.455 2.042 20 0 CEADMP c1csc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000656784881 415860496 /nfs/dbraw/zinc/86/04/96/415860496.db2.gz HYISHGMEXNCDDJ-ZDUSSCGKSA-N 2 1 265.426 2.355 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)CCCC1 ZINC000656788123 415861129 /nfs/dbraw/zinc/86/11/29/415861129.db2.gz CNFBPVXLOZLNCU-UHFFFAOYSA-N 2 1 270.380 2.438 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC3([NH3+])CC3)c2C1 ZINC000662704917 415937103 /nfs/dbraw/zinc/93/71/03/415937103.db2.gz LTPIFJHWPPWICP-UHFFFAOYSA-N 2 1 273.380 2.232 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)CC3([NH3+])CC3)c2C1 ZINC000662704917 415937107 /nfs/dbraw/zinc/93/71/07/415937107.db2.gz LTPIFJHWPPWICP-UHFFFAOYSA-N 2 1 273.380 2.232 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000666758750 419418571 /nfs/dbraw/zinc/41/85/71/419418571.db2.gz UICXXTNGYDRTRN-MRXNPFEDSA-N 2 1 289.423 2.186 20 0 CEADMP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC000666769836 419424175 /nfs/dbraw/zinc/42/41/75/419424175.db2.gz FVSOWERCLPPQSR-HNNXBMFYSA-N 2 1 295.471 2.145 20 0 CEADMP COc1ccccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998260 419507981 /nfs/dbraw/zinc/50/79/81/419507981.db2.gz KGECGBYPOBLCLI-AWEZNQCLSA-N 2 1 260.381 2.460 20 0 CEADMP CCCN(CC[NH2+]C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000090811840 260414627 /nfs/dbraw/zinc/41/46/27/260414627.db2.gz ILXOBPNHJGFINV-UHFFFAOYSA-N 2 1 299.459 2.317 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428030967 260936787 /nfs/dbraw/zinc/93/67/87/260936787.db2.gz GBBTWOZEAIAGBF-FPCVCCKLSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428030967 260936788 /nfs/dbraw/zinc/93/67/88/260936788.db2.gz GBBTWOZEAIAGBF-FPCVCCKLSA-N 2 1 266.429 2.266 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@H]1CCOC1 ZINC000438099178 263042851 /nfs/dbraw/zinc/04/28/51/263042851.db2.gz SRDCWBFKNKVINO-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP CC[C@@H](C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)[NH+](CC)CC ZINC000452575543 263115818 /nfs/dbraw/zinc/11/58/18/263115818.db2.gz YBYTWZNUMBUAKG-HOCLYGCPSA-N 2 1 295.471 2.050 20 0 CEADMP COc1ccc(C[NH2+][C@](C)(C[NH3+])C2CC2)cc1F ZINC000430581250 263310550 /nfs/dbraw/zinc/31/05/50/263310550.db2.gz UEMHLKLCFPGFKD-CQSZACIVSA-N 2 1 252.333 2.051 20 0 CEADMP CS[C@H]1CC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000425340372 264007323 /nfs/dbraw/zinc/00/73/23/264007323.db2.gz DYBKTZIBUHHXNU-OLZOCXBDSA-N 2 1 253.415 2.455 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](OC)C2CC2)CC1 ZINC000425429187 264309158 /nfs/dbraw/zinc/30/91/58/264309158.db2.gz ZEPOTVGBEAUNOT-HNNXBMFYSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](OC)C2CC2)CC1 ZINC000425429188 264309439 /nfs/dbraw/zinc/30/94/39/264309439.db2.gz ZEPOTVGBEAUNOT-OAHLLOKOSA-N 2 1 254.418 2.218 20 0 CEADMP COc1ccccc1OCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000193475366 265669499 /nfs/dbraw/zinc/66/94/99/265669499.db2.gz HQIQKYTZKUQKQC-UHFFFAOYSA-N 2 1 292.423 2.492 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000193475366 265669504 /nfs/dbraw/zinc/66/95/04/265669504.db2.gz HQIQKYTZKUQKQC-UHFFFAOYSA-N 2 1 292.423 2.492 20 0 CEADMP CCC[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000187679066 270255435 /nfs/dbraw/zinc/25/54/35/270255435.db2.gz BRWJDVLZEAOOQB-HOTGVXAUSA-N 2 1 267.461 2.277 20 0 CEADMP CCC[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192778973 270280263 /nfs/dbraw/zinc/28/02/63/270280263.db2.gz WYNDYTXXJFGXQL-PMRDEQMMSA-N 2 1 279.472 2.418 20 0 CEADMP Cc1csc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)n1 ZINC000397245519 270352357 /nfs/dbraw/zinc/35/23/57/270352357.db2.gz AQSHNVXEGRLRND-WCQGTBRESA-N 2 1 253.415 2.257 20 0 CEADMP Cc1csc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)n1 ZINC000397245519 270352358 /nfs/dbraw/zinc/35/23/58/270352358.db2.gz AQSHNVXEGRLRND-WCQGTBRESA-N 2 1 253.415 2.257 20 0 CEADMP COc1cc(C)nc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000397253192 270352791 /nfs/dbraw/zinc/35/27/91/270352791.db2.gz QCZACQLQXWGNIO-BNOWGMLFSA-N 2 1 277.412 2.204 20 0 CEADMP COc1cc(C)nc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000397253192 270352792 /nfs/dbraw/zinc/35/27/92/270352792.db2.gz QCZACQLQXWGNIO-BNOWGMLFSA-N 2 1 277.412 2.204 20 0 CEADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000420298476 270508487 /nfs/dbraw/zinc/50/84/87/270508487.db2.gz HENLVKAXJYDNQU-DLBZAZTESA-N 2 1 287.451 2.078 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422772039 270761000 /nfs/dbraw/zinc/76/10/00/270761000.db2.gz XZRHMTLZVGAABU-ZIAGYGMSSA-N 3 1 255.450 2.214 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000422772039 270761002 /nfs/dbraw/zinc/76/10/02/270761002.db2.gz XZRHMTLZVGAABU-ZIAGYGMSSA-N 3 1 255.450 2.214 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422776908 270761984 /nfs/dbraw/zinc/76/19/84/270761984.db2.gz FFIUNWPXZWGQQE-ZACQAIPSSA-N 3 1 290.455 2.482 20 0 CEADMP CCNC(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422868107 270796289 /nfs/dbraw/zinc/79/62/89/270796289.db2.gz ULGLBKDUHFJATK-HOTGVXAUSA-N 2 1 289.423 2.186 20 0 CEADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CSc2ccccc21 ZINC000423145038 270850244 /nfs/dbraw/zinc/85/02/44/270850244.db2.gz ITSCFDCQEVACIK-RDBSUJKOSA-N 2 1 292.448 2.233 20 0 CEADMP C[C@@H]([NH2+]CCC[NH3+])c1nc2ccc(Cl)cc2n1C ZINC000423196543 270867527 /nfs/dbraw/zinc/86/75/27/270867527.db2.gz VMIJPROGPISKAF-SECBINFHSA-N 2 1 266.776 2.226 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000424143535 271022845 /nfs/dbraw/zinc/02/28/45/271022845.db2.gz ZQOBUOOAFKZVKI-LBPRGKRZSA-N 2 1 298.333 2.440 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)c2c[nH+]ccc2N(C)C)c1 ZINC000424243676 271034900 /nfs/dbraw/zinc/03/49/00/271034900.db2.gz PYRSIZUHVRHXBQ-UHFFFAOYSA-N 2 1 284.363 2.167 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](C1CCC1)C1CCCCC1 ZINC000424325559 271045855 /nfs/dbraw/zinc/04/58/55/271045855.db2.gz XOZXSERJMVWHIB-CVEARBPZSA-N 2 1 268.445 2.248 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1(O)CCC1 ZINC000429224991 271314132 /nfs/dbraw/zinc/31/41/32/271314132.db2.gz DBQMIUQIXZKVDO-UHFFFAOYSA-N 2 1 265.401 2.073 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1(O)CCC1 ZINC000429224991 271314133 /nfs/dbraw/zinc/31/41/33/271314133.db2.gz DBQMIUQIXZKVDO-UHFFFAOYSA-N 2 1 265.401 2.073 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429323300 271323677 /nfs/dbraw/zinc/32/36/77/271323677.db2.gz UWKNDTDJEZYLRR-CABCVRRESA-N 2 1 274.408 2.323 20 0 CEADMP COC1(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000429517692 271335555 /nfs/dbraw/zinc/33/55/55/271335555.db2.gz NWDSKXVRNAUZPW-KGLIPLIRSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)Cc1ccccc1 ZINC000430006266 271352505 /nfs/dbraw/zinc/35/25/05/271352505.db2.gz OVLQBXKGYXEDGE-INIZCTEOSA-N 2 1 290.451 2.302 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000430541210 271387224 /nfs/dbraw/zinc/38/72/24/271387224.db2.gz AZLCSSUXEWILDO-MRXNPFEDSA-N 2 1 291.439 2.194 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000430541210 271387228 /nfs/dbraw/zinc/38/72/28/271387228.db2.gz AZLCSSUXEWILDO-MRXNPFEDSA-N 2 1 291.439 2.194 20 0 CEADMP COc1ccc(OCCC[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000430593953 271395741 /nfs/dbraw/zinc/39/57/41/271395741.db2.gz QBUBOPWNKFJNMQ-UHFFFAOYSA-N 2 1 278.396 2.148 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000431051842 271422719 /nfs/dbraw/zinc/42/27/19/271422719.db2.gz RFHUZPLALLXBPW-HUUCEWRRSA-N 2 1 283.460 2.132 20 0 CEADMP Brc1c[nH+]ccc1N1CCC2(CC[NH2+]2)CC1 ZINC000335017599 275377567 /nfs/dbraw/zinc/37/75/67/275377567.db2.gz KVUVQOXQYAUUGD-UHFFFAOYSA-N 2 1 282.185 2.176 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cn(C(C)C)nc3C2)CC1 ZINC000341880841 276151878 /nfs/dbraw/zinc/15/18/78/276151878.db2.gz XBVFLFDIZMPGJM-MRXNPFEDSA-N 2 1 290.455 2.395 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC000107368782 276198466 /nfs/dbraw/zinc/19/84/66/276198466.db2.gz XZZWVLNEXAZXNH-QGZVFWFLSA-N 2 1 279.472 2.279 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H](C)[NH+]2CCCC[C@H]2C)C1 ZINC000343281436 276251872 /nfs/dbraw/zinc/25/18/72/276251872.db2.gz CWKSMOBRBGAQDD-XUWVNRHRSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H](C)[NH+]2CCCC[C@H]2C)C1 ZINC000343281436 276251874 /nfs/dbraw/zinc/25/18/74/276251874.db2.gz CWKSMOBRBGAQDD-XUWVNRHRSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC000343281436 276251876 /nfs/dbraw/zinc/25/18/76/276251876.db2.gz CWKSMOBRBGAQDD-XUWVNRHRSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC000343281436 276251877 /nfs/dbraw/zinc/25/18/77/276251877.db2.gz CWKSMOBRBGAQDD-XUWVNRHRSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000184660345 276307791 /nfs/dbraw/zinc/30/77/91/276307791.db2.gz OSZFYZGXOMABDG-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000184660345 276307793 /nfs/dbraw/zinc/30/77/93/276307793.db2.gz OSZFYZGXOMABDG-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000184660345 276307794 /nfs/dbraw/zinc/30/77/94/276307794.db2.gz OSZFYZGXOMABDG-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000371210954 276314537 /nfs/dbraw/zinc/31/45/37/276314537.db2.gz VYYYIAIIPLRITB-IXDOHACOSA-N 2 1 298.471 2.282 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H](CC(=O)NC)c1ccccc1 ZINC000338362337 276325521 /nfs/dbraw/zinc/32/55/21/276325521.db2.gz DUUOCMHPJGNSSG-MRXNPFEDSA-N 2 1 291.439 2.185 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228988723 276383569 /nfs/dbraw/zinc/38/35/69/276383569.db2.gz NGRPLCCARPWMHD-CABCVRRESA-N 2 1 292.423 2.381 20 0 CEADMP C[NH+](C)C(C)(C)CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356909532 276762738 /nfs/dbraw/zinc/76/27/38/276762738.db2.gz YMXOTZTVZNCLAI-UHFFFAOYSA-N 2 1 295.393 2.333 20 0 CEADMP CC(=O)NC1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000133086877 277024392 /nfs/dbraw/zinc/02/43/92/277024392.db2.gz QZXDCTLEVHMSFY-QLQQRZLESA-N 2 1 293.455 2.039 20 0 CEADMP CC(=O)NC1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000133086877 277024394 /nfs/dbraw/zinc/02/43/94/277024394.db2.gz QZXDCTLEVHMSFY-QLQQRZLESA-N 2 1 293.455 2.039 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000328633985 277031075 /nfs/dbraw/zinc/03/10/75/277031075.db2.gz SZFRBUDJLLUOJL-NVXWUHKLSA-N 2 1 274.408 2.448 20 0 CEADMP CC(=O)NCC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000347661482 277033678 /nfs/dbraw/zinc/03/36/78/277033678.db2.gz YQPRNSJPWMRBPS-KRWDZBQOSA-N 2 1 295.471 2.101 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1c1cn[nH]c1 ZINC000245646401 277060101 /nfs/dbraw/zinc/06/01/01/277060101.db2.gz UADVTAZYMPMZJC-CABCVRRESA-N 2 1 262.401 2.421 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1c1cn[nH]c1 ZINC000245646401 277060103 /nfs/dbraw/zinc/06/01/03/277060103.db2.gz UADVTAZYMPMZJC-CABCVRRESA-N 2 1 262.401 2.421 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000245646401 277060104 /nfs/dbraw/zinc/06/01/04/277060104.db2.gz UADVTAZYMPMZJC-CABCVRRESA-N 2 1 262.401 2.421 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000245646401 277060105 /nfs/dbraw/zinc/06/01/05/277060105.db2.gz UADVTAZYMPMZJC-CABCVRRESA-N 2 1 262.401 2.421 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCO[C@H]2CCC[C@H]21 ZINC000362179590 277060422 /nfs/dbraw/zinc/06/04/22/277060422.db2.gz NMAZBLLTZVJMPC-KFWWJZLASA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000362179590 277060425 /nfs/dbraw/zinc/06/04/25/277060425.db2.gz NMAZBLLTZVJMPC-KFWWJZLASA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000362179590 277060426 /nfs/dbraw/zinc/06/04/26/277060426.db2.gz NMAZBLLTZVJMPC-KFWWJZLASA-N 2 1 252.402 2.114 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CCN3CCCc4ccccc43)C2)C1 ZINC000366533627 277185746 /nfs/dbraw/zinc/18/57/46/277185746.db2.gz IEOPRMANZMVBGN-IBGZPJMESA-N 2 1 299.462 2.467 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CCN3CCCc4ccccc43)C2)C1 ZINC000366533627 277185748 /nfs/dbraw/zinc/18/57/48/277185748.db2.gz IEOPRMANZMVBGN-IBGZPJMESA-N 2 1 299.462 2.467 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](CCN3CCCc4ccccc43)C2)C1 ZINC000366533627 277185749 /nfs/dbraw/zinc/18/57/49/277185749.db2.gz IEOPRMANZMVBGN-IBGZPJMESA-N 2 1 299.462 2.467 20 0 CEADMP COC[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000372834454 277244393 /nfs/dbraw/zinc/24/43/93/277244393.db2.gz CDVWBUGVUHKWQT-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414979881 277363782 /nfs/dbraw/zinc/36/37/82/277363782.db2.gz VBNGTXIRAJUIQQ-JYJNAYRXSA-N 2 1 267.461 2.085 20 0 CEADMP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000300411046 277386350 /nfs/dbraw/zinc/38/63/50/277386350.db2.gz KXQAFLZGQFNANS-GDBMZVCRSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000249154205 277397375 /nfs/dbraw/zinc/39/73/75/277397375.db2.gz VYRLSIZZLREDQY-XHSDSOJGSA-N 2 1 268.445 2.369 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCCO1)[NH+]1CCCC1 ZINC000311009677 277898097 /nfs/dbraw/zinc/89/80/97/277898097.db2.gz JSFGKHXTUGMNEX-ILXRZTDVSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)CC[N@H+]1C ZINC000344123892 278026389 /nfs/dbraw/zinc/02/63/89/278026389.db2.gz FXVQTMZITAJBHM-DMRZNYOFSA-N 2 1 266.429 2.264 20 0 CEADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000376547879 278159306 /nfs/dbraw/zinc/15/93/06/278159306.db2.gz MEJDAWJJCPEBIH-LJISPDSOSA-N 2 1 286.485 2.217 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000163457622 278197493 /nfs/dbraw/zinc/19/74/93/278197493.db2.gz VVEAONBYKUTSDZ-WFASDCNBSA-N 2 1 275.396 2.062 20 0 CEADMP C[C@H](CN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000125634193 278211380 /nfs/dbraw/zinc/21/13/80/278211380.db2.gz FFWPROOMXMISST-OAGGEKHMSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)C[NH+]1CCCCC1 ZINC000125634193 278211382 /nfs/dbraw/zinc/21/13/82/278211382.db2.gz FFWPROOMXMISST-OAGGEKHMSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000158481324 278317713 /nfs/dbraw/zinc/31/77/13/278317713.db2.gz KDCQOSJYMCKZRY-OLZOCXBDSA-N 2 1 278.444 2.277 20 0 CEADMP C[C@@H](Nc1cc[nH+]c(N(C)C)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000357663896 278319716 /nfs/dbraw/zinc/31/97/16/278319716.db2.gz SKQHNLYAGCSZBJ-CZUORRHYSA-N 2 1 299.422 2.068 20 0 CEADMP C[C@@H]1CCc2nc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])sc2C1 ZINC000414790779 278624268 /nfs/dbraw/zinc/62/42/68/278624268.db2.gz AIACDXUQHLBXHV-UTUOFQBUSA-N 2 1 279.453 2.485 20 0 CEADMP CC[N@@H+](CC(=O)N(C)CC[NH+](C)C1CCCCC1)C1CC1 ZINC000343209981 279047585 /nfs/dbraw/zinc/04/75/85/279047585.db2.gz JVNNJJTWURJYPE-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](CC(=O)N(C)CC[N@H+](C)C1CCCCC1)C1CC1 ZINC000343209981 279047588 /nfs/dbraw/zinc/04/75/88/279047588.db2.gz JVNNJJTWURJYPE-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](CC(=O)N(C)CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000343209981 279047591 /nfs/dbraw/zinc/04/75/91/279047591.db2.gz JVNNJJTWURJYPE-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000154642396 279121478 /nfs/dbraw/zinc/12/14/78/279121478.db2.gz IIANMMOOYDKARV-UGUYLWEFSA-N 2 1 270.461 2.349 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000358298856 288107996 /nfs/dbraw/zinc/10/79/96/288107996.db2.gz MGLRSMIDHKAHAO-LVQVYYBASA-N 2 1 296.455 2.033 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC000348311853 279133989 /nfs/dbraw/zinc/13/39/89/279133989.db2.gz KAXJRROFVPHZLF-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC[NH+]1CCCCCC1 ZINC000040767806 288102246 /nfs/dbraw/zinc/10/22/46/288102246.db2.gz WHFQBRVMELMQTC-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000349964925 279252760 /nfs/dbraw/zinc/25/27/60/279252760.db2.gz FATBYFZCDIFUKC-KBMXLJTQSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000349964925 279252761 /nfs/dbraw/zinc/25/27/61/279252761.db2.gz FATBYFZCDIFUKC-KBMXLJTQSA-N 2 1 266.429 2.123 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)CCC[C@H]2C)CC1 ZINC000357962060 279259908 /nfs/dbraw/zinc/25/99/08/279259908.db2.gz STRXLGJENZUGSM-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000341060452 279277790 /nfs/dbraw/zinc/27/77/90/279277790.db2.gz NTVASELHUXACAR-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341060452 279277793 /nfs/dbraw/zinc/27/77/93/279277793.db2.gz NTVASELHUXACAR-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000341060452 279277795 /nfs/dbraw/zinc/27/77/95/279277795.db2.gz NTVASELHUXACAR-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCc2n[nH]cc21)C[NH+]1CCCC1 ZINC000367593613 279352906 /nfs/dbraw/zinc/35/29/06/279352906.db2.gz HZZMZIPOMNYTCN-OCCSQVGLSA-N 2 1 262.401 2.109 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)C(=O)N(C)C ZINC000373624312 279455345 /nfs/dbraw/zinc/45/53/45/279455345.db2.gz QTVDZBPKZITINX-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCOC2(C)C)C[C@H](C)O1 ZINC000340207477 288161600 /nfs/dbraw/zinc/16/16/00/288161600.db2.gz WAEYJRIBXNFINY-ZNMIVQPWSA-N 2 1 284.444 2.033 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)[NH+](C)C ZINC000128914849 279899310 /nfs/dbraw/zinc/89/93/10/279899310.db2.gz XSIJPIKMDDZQLF-YUELXQCFSA-N 2 1 256.434 2.367 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189201202 280146048 /nfs/dbraw/zinc/14/60/48/280146048.db2.gz HJEKSKWIHHBKRK-HNNXBMFYSA-N 2 1 277.412 2.244 20 0 CEADMP CC(C)[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000106460180 280168504 /nfs/dbraw/zinc/16/85/04/280168504.db2.gz MCGXQCOGJLBSMY-HUUCEWRRSA-N 2 1 297.487 2.199 20 0 CEADMP Cc1[nH+]ccc(N[C@H]2CCC[N@@H+](C)[C@H]2C)c1Cl ZINC000355677419 280185859 /nfs/dbraw/zinc/18/58/59/280185859.db2.gz UNFMYXCZVOIPAB-QWRGUYRKSA-N 2 1 253.777 2.360 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000236827105 280222295 /nfs/dbraw/zinc/22/22/95/280222295.db2.gz SGKMORHRQLEKTN-UONOGXRCSA-N 2 1 292.427 2.030 20 0 CEADMP CCCCCNC(=O)[C@@H](C)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000245422028 280239436 /nfs/dbraw/zinc/23/94/36/280239436.db2.gz IJZRBJWUJYTGMI-CVEARBPZSA-N 2 1 297.487 2.345 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000246187025 280278933 /nfs/dbraw/zinc/27/89/33/280278933.db2.gz CSYQMBQXIYLBPW-JYJNAYRXSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC[N@H+]1C ZINC000246209902 280280268 /nfs/dbraw/zinc/28/02/68/280280268.db2.gz FUWWADVPETVVTQ-LVQVYYBASA-N 2 1 295.471 2.225 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOCC(C)C)[C@@H](C)C1 ZINC000246383259 280290152 /nfs/dbraw/zinc/29/01/52/280290152.db2.gz ACBFUKYHKHIYSY-LSDHHAIUSA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246532356 280299305 /nfs/dbraw/zinc/29/93/05/280299305.db2.gz VLVOLUZBMAROFH-IHRRRGAJSA-N 2 1 256.434 2.102 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000246870784 280312717 /nfs/dbraw/zinc/31/27/17/280312717.db2.gz DJTUZZAZNUOAOB-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000246870784 280312718 /nfs/dbraw/zinc/31/27/18/280312718.db2.gz DJTUZZAZNUOAOB-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000246870784 280312719 /nfs/dbraw/zinc/31/27/19/280312719.db2.gz DJTUZZAZNUOAOB-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247016496 280317830 /nfs/dbraw/zinc/31/78/30/280317830.db2.gz MPYMTYSBFFYABZ-KBPBESRZSA-N 2 1 299.459 2.221 20 0 CEADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000248833593 280367144 /nfs/dbraw/zinc/36/71/44/280367144.db2.gz LUWOPMCBKHJLSG-JOCBIADPSA-N 2 1 290.451 2.217 20 0 CEADMP CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1F ZINC000259002446 280528740 /nfs/dbraw/zinc/52/87/40/280528740.db2.gz NFQYNPSNZBPHBX-STQMWFEESA-N 2 1 252.333 2.194 20 0 CEADMP CCC(CC)(C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C(=O)OC ZINC000423031444 281001815 /nfs/dbraw/zinc/00/18/15/281001815.db2.gz DJBXNYOSVVNXSL-OLZOCXBDSA-N 2 1 270.417 2.086 20 0 CEADMP Cc1cnc([C@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000423032237 281003009 /nfs/dbraw/zinc/00/30/09/281003009.db2.gz FCDPHTFDFJPLEM-YUSALJHKSA-N 2 1 253.415 2.285 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCCCS1)c1c[nH+]ccc1N ZINC000423038501 281004929 /nfs/dbraw/zinc/00/49/29/281004929.db2.gz YVJPPKVWPIJHCD-GHMZBOCLSA-N 2 1 251.399 2.430 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCO2 ZINC000423051116 281010857 /nfs/dbraw/zinc/01/08/57/281010857.db2.gz NFKPASPBECKNFG-GYVWXKFASA-N 2 1 288.391 2.391 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423054370 281013168 /nfs/dbraw/zinc/01/31/68/281013168.db2.gz UQQWWKCNTGMMCT-AESZEHBQSA-N 2 1 275.440 2.222 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000423054370 281013169 /nfs/dbraw/zinc/01/31/69/281013169.db2.gz UQQWWKCNTGMMCT-AESZEHBQSA-N 2 1 275.440 2.222 20 0 CEADMP CC(C)N(C)c1ccccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423059685 281014499 /nfs/dbraw/zinc/01/44/99/281014499.db2.gz MPRQACXUTPZPOI-CYBMUJFWSA-N 2 1 261.413 2.229 20 0 CEADMP CC[C@H]([NH2+][C@@H](CO)Cc1cccc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000423061672 281016234 /nfs/dbraw/zinc/01/62/34/281016234.db2.gz REPKDVNZABHDMA-IKGGRYGDSA-N 2 1 276.424 2.019 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1Cc2ccccc2N(C)C1)[C@H]1CCC[NH2+]1 ZINC000423061687 281016339 /nfs/dbraw/zinc/01/63/39/281016339.db2.gz RFMVLOHVFJTCGJ-IIAWOOMASA-N 2 1 273.424 2.025 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2N(C)C1)[C@H]1CCC[NH2+]1 ZINC000423061690 281016478 /nfs/dbraw/zinc/01/64/78/281016478.db2.gz RFMVLOHVFJTCGJ-OFQRWUPVSA-N 2 1 273.424 2.025 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000423162625 281020482 /nfs/dbraw/zinc/02/04/82/281020482.db2.gz UHNOUUBSMQTRST-BDAKNGLRSA-N 2 1 261.291 2.316 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423404623 281030833 /nfs/dbraw/zinc/03/08/33/281030833.db2.gz SOPVUIYRCKTCJH-OLZOCXBDSA-N 2 1 277.412 2.166 20 0 CEADMP COc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])c(C)c1OC ZINC000423407160 281031793 /nfs/dbraw/zinc/03/17/93/281031793.db2.gz VMMWAQPCFNFISM-GXSJLCMTSA-N 2 1 252.358 2.010 20 0 CEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(OC(F)F)c1 ZINC000423446352 281044562 /nfs/dbraw/zinc/04/45/62/281044562.db2.gz YPHOUFYRNGKAGA-HWNAMQAFSA-N 2 1 268.307 2.156 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1C[N@@H+](CC)C[C@H]1C ZINC000423496457 281056179 /nfs/dbraw/zinc/05/61/79/281056179.db2.gz DWVWXYVFORNIQO-XYPHTWIQSA-N 2 1 275.440 2.179 20 0 CEADMP C[C@@H](c1ccncc1F)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423511832 281057098 /nfs/dbraw/zinc/05/70/98/281057098.db2.gz PHDYTYABBKZHMB-UHIISALHSA-N 2 1 251.349 2.198 20 0 CEADMP C[C@@H](c1ccncc1F)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423511832 281057100 /nfs/dbraw/zinc/05/71/00/281057100.db2.gz PHDYTYABBKZHMB-UHIISALHSA-N 2 1 251.349 2.198 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)C1CCCC1 ZINC000423514379 281059172 /nfs/dbraw/zinc/05/91/72/281059172.db2.gz WJQDYTWMKXLCQV-HOTGVXAUSA-N 2 1 274.408 2.487 20 0 CEADMP Cc1ccc(C[C@@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C(C)C)cc1 ZINC000423518760 281061713 /nfs/dbraw/zinc/06/17/13/281061713.db2.gz OZCGRUICMHXNTO-QZTJIDSGSA-N 2 1 289.467 2.055 20 0 CEADMP Cc1ccc(C[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C(C)C)cc1 ZINC000423518731 281061815 /nfs/dbraw/zinc/06/18/15/281061815.db2.gz OZCGRUICMHXNTO-MSOLQXFVSA-N 2 1 289.467 2.055 20 0 CEADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000423529185 281063110 /nfs/dbraw/zinc/06/31/10/281063110.db2.gz XFCPQZSUDDLBHA-ROUUACIJSA-N 2 1 287.451 2.411 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423573738 281066979 /nfs/dbraw/zinc/06/69/79/281066979.db2.gz ZKWUZEREOLOSRV-NXHRZFHOSA-N 2 1 287.451 2.239 20 0 CEADMP COCC(C)(C)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000430117815 281262558 /nfs/dbraw/zinc/26/25/58/281262558.db2.gz IQLMDRNZPCSGLK-UHFFFAOYSA-N 2 1 288.395 2.433 20 0 CEADMP C[NH2+]CC1CC[NH+]([C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000430937053 281283275 /nfs/dbraw/zinc/28/32/75/281283275.db2.gz YUQZSBQSNDMHPJ-CQSZACIVSA-N 2 1 299.422 2.260 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC000432817634 281342667 /nfs/dbraw/zinc/34/26/67/281342667.db2.gz BCUMDVSIJAWUQG-QGZVFWFLSA-N 2 1 298.471 2.236 20 0 CEADMP CC(C)Cn1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000435436904 281389532 /nfs/dbraw/zinc/38/95/32/281389532.db2.gz IGKIYLRNYSEVLT-HNNXBMFYSA-N 2 1 264.417 2.113 20 0 CEADMP CC(C)Cn1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000435436904 281389534 /nfs/dbraw/zinc/38/95/34/281389534.db2.gz IGKIYLRNYSEVLT-HNNXBMFYSA-N 2 1 264.417 2.113 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000435871835 281399462 /nfs/dbraw/zinc/39/94/62/281399462.db2.gz LYARVBPXJZXJFE-CQSZACIVSA-N 2 1 278.396 2.450 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000435871835 281399464 /nfs/dbraw/zinc/39/94/64/281399464.db2.gz LYARVBPXJZXJFE-CQSZACIVSA-N 2 1 278.396 2.450 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCN(C)C(=O)OC(C)(C)C ZINC000158654939 289237963 /nfs/dbraw/zinc/23/79/63/289237963.db2.gz VRDSVBKGHNXIRF-MGPQQGTHSA-N 2 1 299.459 2.172 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCCCF ZINC000367072961 289323336 /nfs/dbraw/zinc/32/33/36/289323336.db2.gz IDMNFLWMBORAPA-KFWWJZLASA-N 2 1 272.408 2.310 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CCn2cc(Cl)cn2)C[C@@H]1C ZINC000459361583 290126373 /nfs/dbraw/zinc/12/63/73/290126373.db2.gz PJWFZMLCPHVANG-GXTWGEPZSA-N 2 1 284.835 2.341 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2cc(Cl)cn2)C[C@@H]1C ZINC000459361583 290126382 /nfs/dbraw/zinc/12/63/82/290126382.db2.gz PJWFZMLCPHVANG-GXTWGEPZSA-N 2 1 284.835 2.341 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2cc(Cl)cn2)C[C@@H]1C ZINC000459361583 290126383 /nfs/dbraw/zinc/12/63/83/290126383.db2.gz PJWFZMLCPHVANG-GXTWGEPZSA-N 2 1 284.835 2.341 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)[C@H]1SC ZINC000459388405 290133723 /nfs/dbraw/zinc/13/37/23/290133723.db2.gz LKPZQIFZMRLUOC-FAAHXZRKSA-N 2 1 297.468 2.326 20 0 CEADMP C[N@@H+](CCNC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000459386656 290134159 /nfs/dbraw/zinc/13/41/59/290134159.db2.gz LSLAWLISYKOVMD-UHFFFAOYSA-N 2 1 279.472 2.467 20 0 CEADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000459408998 290140024 /nfs/dbraw/zinc/14/00/24/290140024.db2.gz NPJWLVQVKXXCRX-GJZGRUSLSA-N 2 1 265.401 2.146 20 0 CEADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000459409639 290140109 /nfs/dbraw/zinc/14/01/09/290140109.db2.gz RHDLCFBRNDJMFL-INIZCTEOSA-N 2 1 266.429 2.144 20 0 CEADMP CC[N@@H+]1C[C@@H](C)N(Cc2cnc3ccccn23)[C@@H](C)C1 ZINC000459476139 290158751 /nfs/dbraw/zinc/15/87/51/290158751.db2.gz LJSVXYYPXSJNPD-OKILXGFUSA-N 2 1 272.396 2.249 20 0 CEADMP Cc1ccccc1C[C@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459513108 290168582 /nfs/dbraw/zinc/16/85/82/290168582.db2.gz QZWPMKVODJXGDK-QGZVFWFLSA-N 2 1 288.435 2.115 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)C12CCC2 ZINC000459741251 290224002 /nfs/dbraw/zinc/22/40/02/290224002.db2.gz BTMLRISTBJCHHN-MELADBBJSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cncc(F)c2)C1 ZINC000459775346 290236149 /nfs/dbraw/zinc/23/61/49/290236149.db2.gz JLFIACUHTSQNRH-GFCCVEGCSA-N 2 1 251.349 2.042 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000461615834 290257324 /nfs/dbraw/zinc/25/73/24/290257324.db2.gz GCWHQXZEFFKXOE-UGUYLWEFSA-N 2 1 297.487 2.484 20 0 CEADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H]1CC1(C)C ZINC000487329657 290342906 /nfs/dbraw/zinc/34/29/06/290342906.db2.gz YNAMNRQHSAIBJD-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP C[NH+](C)CCCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000487638514 290356988 /nfs/dbraw/zinc/35/69/88/290356988.db2.gz RDLFNAWIGCDNRN-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCOCC1 ZINC000252211423 290387844 /nfs/dbraw/zinc/38/78/44/290387844.db2.gz WKXIKIRMNWMTBC-GJZGRUSLSA-N 2 1 254.418 2.410 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000414805087 295264572 /nfs/dbraw/zinc/26/45/72/295264572.db2.gz LSJXOHDOGHQIMN-AXFHLTTASA-N 2 1 250.308 2.434 20 0 CEADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000294698944 295297808 /nfs/dbraw/zinc/29/78/08/295297808.db2.gz ATANOCICHFUKOJ-UKRRQHHQSA-N 2 1 287.407 2.030 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccnc3)C[C@@H]21 ZINC000346846859 295309809 /nfs/dbraw/zinc/30/98/09/295309809.db2.gz CMAHSUQXDBDQNE-VNQPRFMTSA-N 2 1 297.406 2.031 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000129675119 297284169 /nfs/dbraw/zinc/28/41/69/297284169.db2.gz SQSMJTFERVECPJ-PVAVHDDUSA-N 2 1 275.440 2.362 20 0 CEADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530176639 298045133 /nfs/dbraw/zinc/04/51/33/298045133.db2.gz DTYHCGIJLJHDFD-CABCVRRESA-N 2 1 293.455 2.042 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)Cc1ccc(F)cc1 ZINC000530222854 298056280 /nfs/dbraw/zinc/05/62/80/298056280.db2.gz HYDRSZRMAQMPCQ-MGBSGCIJSA-N 2 1 294.414 2.359 20 0 CEADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000530354818 298065741 /nfs/dbraw/zinc/06/57/41/298065741.db2.gz IQOKLBGXXGHGNX-MLGOLLRUSA-N 2 1 255.365 2.486 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC000532227405 298136712 /nfs/dbraw/zinc/13/67/12/298136712.db2.gz NCFJKXLSPJVOPT-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000532442038 298144314 /nfs/dbraw/zinc/14/43/14/298144314.db2.gz VMLCLKNLBBUOAO-ZFWWWQNUSA-N 2 1 293.480 2.425 20 0 CEADMP CCn1cc(C[N@H+](C)CCCCn2cc[nH+]c2C)cn1 ZINC000534314579 298172645 /nfs/dbraw/zinc/17/26/45/298172645.db2.gz INSBIUWPQUCHIB-UHFFFAOYSA-N 2 1 275.400 2.320 20 0 CEADMP CCn1cc(C[N@@H+](C)CCCCn2cc[nH+]c2C)cn1 ZINC000534314579 298172648 /nfs/dbraw/zinc/17/26/48/298172648.db2.gz INSBIUWPQUCHIB-UHFFFAOYSA-N 2 1 275.400 2.320 20 0 CEADMP COCC1([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000538552443 298230597 /nfs/dbraw/zinc/23/05/97/298230597.db2.gz NFDOETGJXDAODF-UHFFFAOYSA-N 2 1 274.408 2.420 20 0 CEADMP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cscn1 ZINC000541778718 298285516 /nfs/dbraw/zinc/28/55/16/298285516.db2.gz VUFGVRGJXZHSPA-LBPRGKRZSA-N 2 1 271.430 2.152 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000548059898 298390737 /nfs/dbraw/zinc/39/07/37/298390737.db2.gz DMTXSTFISUEVRN-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP CC[C@@H](C)[NH+](C)CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548059898 298390741 /nfs/dbraw/zinc/39/07/41/298390741.db2.gz DMTXSTFISUEVRN-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP CC[C@@H](C)[NH+](C)CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548059898 298390744 /nfs/dbraw/zinc/39/07/44/298390744.db2.gz DMTXSTFISUEVRN-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH2+][C@@H]3C)c2C1 ZINC000566563978 299003630 /nfs/dbraw/zinc/00/36/30/299003630.db2.gz OLSKHMOYNKGBQH-TZMCWYRMSA-N 2 1 287.407 2.349 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH2+][C@@H]3C)c2C1 ZINC000566563978 299003632 /nfs/dbraw/zinc/00/36/32/299003632.db2.gz OLSKHMOYNKGBQH-TZMCWYRMSA-N 2 1 287.407 2.349 20 0 CEADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000566954287 299030542 /nfs/dbraw/zinc/03/05/42/299030542.db2.gz GMJBUZARQOCXJR-PMPSAXMXSA-N 2 1 290.455 2.378 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000567246021 299046209 /nfs/dbraw/zinc/04/62/09/299046209.db2.gz CYYCYILALNLBMJ-SQWLQELKSA-N 2 1 270.461 2.494 20 0 CEADMP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551264 302887063 /nfs/dbraw/zinc/88/70/63/302887063.db2.gz CYTPAMBZHRLZNL-CYBMUJFWSA-N 2 1 266.772 2.363 20 0 CEADMP COC1([C@@H](C)[NH2+]CCc2c[nH+]cn2C)CCCCC1 ZINC000515632796 313074967 /nfs/dbraw/zinc/07/49/67/313074967.db2.gz YEQOLTDDKBYSBE-CYBMUJFWSA-N 2 1 265.401 2.290 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc2c(c(C3CC3)c1)OCO2 ZINC000527570234 313186109 /nfs/dbraw/zinc/18/61/09/313186109.db2.gz MJTZZMAIMSZIOW-UHFFFAOYSA-N 2 1 299.374 2.359 20 0 CEADMP CC[NH+]1CCC(NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527944897 313218201 /nfs/dbraw/zinc/21/82/01/313218201.db2.gz DNTHQKFVGNYLSH-KRWDZBQOSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000527944969 313218374 /nfs/dbraw/zinc/21/83/74/313218374.db2.gz DXVRVHATVQXQGR-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527944969 313218377 /nfs/dbraw/zinc/21/83/77/313218377.db2.gz DXVRVHATVQXQGR-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527944969 313218380 /nfs/dbraw/zinc/21/83/80/313218380.db2.gz DXVRVHATVQXQGR-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000527944971 313218655 /nfs/dbraw/zinc/21/86/55/313218655.db2.gz DXVRVHATVQXQGR-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527944971 313218657 /nfs/dbraw/zinc/21/86/57/313218657.db2.gz DXVRVHATVQXQGR-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527944971 313218660 /nfs/dbraw/zinc/21/86/60/313218660.db2.gz DXVRVHATVQXQGR-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000565093098 313795401 /nfs/dbraw/zinc/79/54/01/313795401.db2.gz PFJWZCFOMDEIPD-ZWNOBZJWSA-N 2 1 290.329 2.326 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000570282627 314032523 /nfs/dbraw/zinc/03/25/23/314032523.db2.gz LVGJAWVMQXVDQJ-BETUJISGSA-N 2 1 287.407 2.144 20 0 CEADMP CCc1ncc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)s1 ZINC000571126519 314074983 /nfs/dbraw/zinc/07/49/83/314074983.db2.gz GGUUITCSDXCNCF-UHFFFAOYSA-N 2 1 298.500 2.021 20 0 CEADMP CC(C)[NH2+]C1(CO)CC[NH+](CCCc2ccccc2)CC1 ZINC000573104849 314141643 /nfs/dbraw/zinc/14/16/43/314141643.db2.gz GGTXGGZKLPCKEI-UHFFFAOYSA-N 2 1 290.451 2.444 20 0 CEADMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C[NH+](C)C)C1 ZINC000573336529 314152935 /nfs/dbraw/zinc/15/29/35/314152935.db2.gz SRAXQTQMSAIKOB-ZDUSSCGKSA-N 2 1 275.396 2.029 20 0 CEADMP Cc1ccc2cc[nH+]c(NC[C@H]3CN(C)CCO3)c2c1 ZINC000573717221 314172983 /nfs/dbraw/zinc/17/29/83/314172983.db2.gz COTMWHDIXPNDQZ-AWEZNQCLSA-N 2 1 271.364 2.286 20 0 CEADMP Cc1ncc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1C ZINC000574220269 314198643 /nfs/dbraw/zinc/19/86/43/314198643.db2.gz DMBOAOCQYLBRQZ-ZIAGYGMSSA-N 2 1 278.444 2.186 20 0 CEADMP Cc1[nH+]cc(CNCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1C ZINC000574220269 314198646 /nfs/dbraw/zinc/19/86/46/314198646.db2.gz DMBOAOCQYLBRQZ-ZIAGYGMSSA-N 2 1 278.444 2.186 20 0 CEADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000576487948 314281511 /nfs/dbraw/zinc/28/15/11/314281511.db2.gz GLKHDOZICMXSMH-OGHNNQOOSA-N 2 1 286.423 2.472 20 0 CEADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000576685082 314300626 /nfs/dbraw/zinc/30/06/26/314300626.db2.gz UXNOYDQCLUEKKS-BSWAZPDLSA-N 3 1 273.424 2.197 20 0 CEADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000576887299 314320064 /nfs/dbraw/zinc/32/00/64/314320064.db2.gz ZLACTAJKMNYFCH-SMDDNHRTSA-N 2 1 297.830 2.009 20 0 CEADMP c1[nH+]c2c(n1Cc1ccc3c(c1)C[NH2+]CC3)CCCC2 ZINC000576946751 314326486 /nfs/dbraw/zinc/32/64/86/314326486.db2.gz AKZCFALIUYNIIM-UHFFFAOYSA-N 2 1 267.376 2.456 20 0 CEADMP C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000577295490 314362029 /nfs/dbraw/zinc/36/20/29/314362029.db2.gz WWECWPDGSDNCSN-ZJIFWQFVSA-N 2 1 279.472 2.499 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000577295490 314362032 /nfs/dbraw/zinc/36/20/32/314362032.db2.gz WWECWPDGSDNCSN-ZJIFWQFVSA-N 3 1 279.472 2.499 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000577295490 314362034 /nfs/dbraw/zinc/36/20/34/314362034.db2.gz WWECWPDGSDNCSN-ZJIFWQFVSA-N 3 1 279.472 2.499 20 0 CEADMP COc1cccc(C[C@H]2CCC[N@@H+]2CC(C)(C)[NH3+])c1 ZINC000577373245 314369438 /nfs/dbraw/zinc/36/94/38/314369438.db2.gz NAYOYYAUNXDRNA-CQSZACIVSA-N 2 1 262.397 2.439 20 0 CEADMP COc1cccc(C[C@H]2CCC[N@H+]2CC(C)(C)[NH3+])c1 ZINC000577373245 314369441 /nfs/dbraw/zinc/36/94/41/314369441.db2.gz NAYOYYAUNXDRNA-CQSZACIVSA-N 2 1 262.397 2.439 20 0 CEADMP CC(C)(C)C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000580329361 322311666 /nfs/dbraw/zinc/31/16/66/322311666.db2.gz VHNNRXYPQWMBMO-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H](C)c1cccc(OC)c1 ZINC000580511700 322322031 /nfs/dbraw/zinc/32/20/31/322322031.db2.gz XNOFDUDSROIXKF-ZBFHGGJFSA-N 2 1 294.439 2.391 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H](C)c1cccc(OC)c1 ZINC000580511700 322322034 /nfs/dbraw/zinc/32/20/34/322322034.db2.gz XNOFDUDSROIXKF-ZBFHGGJFSA-N 2 1 294.439 2.391 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000580511700 322322036 /nfs/dbraw/zinc/32/20/36/322322036.db2.gz XNOFDUDSROIXKF-ZBFHGGJFSA-N 2 1 294.439 2.391 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000580511700 322322039 /nfs/dbraw/zinc/32/20/39/322322039.db2.gz XNOFDUDSROIXKF-ZBFHGGJFSA-N 2 1 294.439 2.391 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000580898083 322352955 /nfs/dbraw/zinc/35/29/55/322352955.db2.gz VJDNMFNRHBUCQI-UAGQMJEPSA-N 2 1 276.424 2.082 20 0 CEADMP Cc1ccncc1CCC[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000580920101 322354407 /nfs/dbraw/zinc/35/44/07/322354407.db2.gz UJEYPIWKVQACBI-HNNXBMFYSA-N 2 1 261.413 2.254 20 0 CEADMP Oc1cccnc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000558400730 327090423 /nfs/dbraw/zinc/09/04/23/327090423.db2.gz YNNWMQUEKUOJNG-CQSZACIVSA-N 2 1 275.396 2.238 20 0 CEADMP Oc1cccnc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000558400730 327090424 /nfs/dbraw/zinc/09/04/24/327090424.db2.gz YNNWMQUEKUOJNG-CQSZACIVSA-N 2 1 275.396 2.238 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN(CCc1ccc(F)cc1)C1CC1 ZINC000584239848 327111965 /nfs/dbraw/zinc/11/19/65/327111965.db2.gz OGOAWUWHMHIGKP-KRWDZBQOSA-N 2 1 294.414 2.145 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000584239848 327111966 /nfs/dbraw/zinc/11/19/66/327111966.db2.gz OGOAWUWHMHIGKP-KRWDZBQOSA-N 2 1 294.414 2.145 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000584239848 327111968 /nfs/dbraw/zinc/11/19/68/327111968.db2.gz OGOAWUWHMHIGKP-KRWDZBQOSA-N 2 1 294.414 2.145 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](CCc1ccc(F)cc1)C1CC1 ZINC000584239848 327111970 /nfs/dbraw/zinc/11/19/70/327111970.db2.gz OGOAWUWHMHIGKP-KRWDZBQOSA-N 2 1 294.414 2.145 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](CCc1ccc(F)cc1)C1CC1 ZINC000584239848 327111971 /nfs/dbraw/zinc/11/19/71/327111971.db2.gz OGOAWUWHMHIGKP-KRWDZBQOSA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000584239848 327111972 /nfs/dbraw/zinc/11/19/72/327111972.db2.gz OGOAWUWHMHIGKP-KRWDZBQOSA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000584239848 327111974 /nfs/dbraw/zinc/11/19/74/327111974.db2.gz OGOAWUWHMHIGKP-KRWDZBQOSA-N 2 1 294.414 2.145 20 0 CEADMP C(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000155812968 518392843 /nfs/dbraw/zinc/39/28/43/518392843.db2.gz QRQCRKOMEJGNBL-JKSUJKDBSA-N 2 1 265.445 2.079 20 0 CEADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358247080 500626792 /nfs/dbraw/zinc/62/67/92/500626792.db2.gz CZDHQBUZJHVTLI-IRXDYDNUSA-N 2 1 294.414 2.049 20 0 CEADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358247080 500626795 /nfs/dbraw/zinc/62/67/95/500626795.db2.gz CZDHQBUZJHVTLI-IRXDYDNUSA-N 2 1 294.414 2.049 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000157763791 519751037 /nfs/dbraw/zinc/75/10/37/519751037.db2.gz TWAORBYZRQWSNU-IUODEOHRSA-N 2 1 275.396 2.217 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157763791 519751039 /nfs/dbraw/zinc/75/10/39/519751039.db2.gz TWAORBYZRQWSNU-IUODEOHRSA-N 2 1 275.396 2.217 20 0 CEADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000365191842 519880850 /nfs/dbraw/zinc/88/08/50/519880850.db2.gz NMDCLMIEQBNUAU-MELADBBJSA-N 2 1 292.427 2.153 20 0 CEADMP CCN(C(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1)C1CCCCC1 ZINC000163847288 519913769 /nfs/dbraw/zinc/91/37/69/519913769.db2.gz PZAYHJHWZFYNON-LSDHHAIUSA-N 2 1 295.471 2.084 20 0 CEADMP CCN(C(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)C1CCCCC1 ZINC000163847288 519913772 /nfs/dbraw/zinc/91/37/72/519913772.db2.gz PZAYHJHWZFYNON-LSDHHAIUSA-N 2 1 295.471 2.084 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000274672192 521354857 /nfs/dbraw/zinc/35/48/57/521354857.db2.gz YFRXQZVHYZUTQJ-OLZOCXBDSA-N 2 1 294.443 2.111 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[NH+](CC3CC3)CC2)c1C ZINC000067227103 521811630 /nfs/dbraw/zinc/81/16/30/521811630.db2.gz RCIGERPYZHSDPW-UHFFFAOYSA-N 2 1 289.423 2.235 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)CC1 ZINC000366037520 523775783 /nfs/dbraw/zinc/77/57/83/523775783.db2.gz DFBSCGBAMALKJW-AWEZNQCLSA-N 2 1 291.414 2.336 20 0 CEADMP C[C@H]1CC[C@@H](C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)O1 ZINC000365099323 524349328 /nfs/dbraw/zinc/34/93/28/524349328.db2.gz XRZBMGZLUDTXSE-YOEHRIQHSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000151140587 524897862 /nfs/dbraw/zinc/89/78/62/524897862.db2.gz FDCMJEULUMJUBA-OIISXLGYSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000151140587 524897870 /nfs/dbraw/zinc/89/78/70/524897870.db2.gz FDCMJEULUMJUBA-OIISXLGYSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000151140587 524897884 /nfs/dbraw/zinc/89/78/84/524897884.db2.gz FDCMJEULUMJUBA-OIISXLGYSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cn[nH]c1 ZINC000366691977 525402501 /nfs/dbraw/zinc/40/25/01/525402501.db2.gz CLQZCFFDEOKQPB-GFCCVEGCSA-N 2 1 262.401 2.467 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000062719269 527166313 /nfs/dbraw/zinc/16/63/13/527166313.db2.gz TZLGLBPGEYXDRE-UHFFFAOYSA-N 2 1 258.287 2.275 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000418208009 527994447 /nfs/dbraw/zinc/99/44/47/527994447.db2.gz VIIBERGIRJJYEP-RRFJBIMHSA-N 2 1 298.475 2.018 20 0 CEADMP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116397050 528056910 /nfs/dbraw/zinc/05/69/10/528056910.db2.gz CAFCZJNMXMKDMC-KBPBESRZSA-N 2 1 285.476 2.103 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCOC(C)C)C1 ZINC000174209800 528176044 /nfs/dbraw/zinc/17/60/44/528176044.db2.gz UXPKSEKOYJWHBD-HNNXBMFYSA-N 2 1 256.434 2.465 20 0 CEADMP CC(C)Oc1cccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313359580 535039245 /nfs/dbraw/zinc/03/92/45/535039245.db2.gz RTKISDKDPXHMBL-INIZCTEOSA-N 2 1 278.396 2.023 20 0 CEADMP CC(C)Oc1cccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313359580 535039248 /nfs/dbraw/zinc/03/92/48/535039248.db2.gz RTKISDKDPXHMBL-INIZCTEOSA-N 2 1 278.396 2.023 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000312433762 536860892 /nfs/dbraw/zinc/86/08/92/536860892.db2.gz ILFQNICBPCLHSK-MLGOLLRUSA-N 2 1 278.396 2.121 20 0 CEADMP Cn1cncc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309781475 538741939 /nfs/dbraw/zinc/74/19/39/538741939.db2.gz FBXVPSUTIIFFFZ-GOSISDBHSA-N 2 1 298.434 2.422 20 0 CEADMP Cn1cncc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309781475 538741945 /nfs/dbraw/zinc/74/19/45/538741945.db2.gz FBXVPSUTIIFFFZ-GOSISDBHSA-N 2 1 298.434 2.422 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000571531323 574464294 /nfs/dbraw/zinc/46/42/94/574464294.db2.gz JGGKUPCSCGBDDX-USXIJHARSA-N 2 1 275.440 2.362 20 0 CEADMP Clc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000751503042 574469883 /nfs/dbraw/zinc/46/98/83/574469883.db2.gz IORZEWHRVNZJTG-STQMWFEESA-N 2 1 265.788 2.451 20 0 CEADMP Clc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000751503042 574469884 /nfs/dbraw/zinc/46/98/84/574469884.db2.gz IORZEWHRVNZJTG-STQMWFEESA-N 2 1 265.788 2.451 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000731869454 574604978 /nfs/dbraw/zinc/60/49/78/574604978.db2.gz IDHOEHJBMGFMTM-INIZCTEOSA-N 2 1 297.487 2.347 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000731869454 574604979 /nfs/dbraw/zinc/60/49/79/574604979.db2.gz IDHOEHJBMGFMTM-INIZCTEOSA-N 2 1 297.487 2.347 20 0 CEADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000733367007 574666315 /nfs/dbraw/zinc/66/63/15/574666315.db2.gz YZGFEYXKLMQUFJ-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000733367007 574666317 /nfs/dbraw/zinc/66/63/17/574666317.db2.gz YZGFEYXKLMQUFJ-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000685414192 574798673 /nfs/dbraw/zinc/79/86/73/574798673.db2.gz GFNAQZMJKGCJIV-RYUDHWBXSA-N 2 1 284.366 2.256 20 0 CEADMP Cc1ccc(C[C@@H](C)[N@H+](C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000738882395 574883696 /nfs/dbraw/zinc/88/36/96/574883696.db2.gz SHBODGJNCJJLGV-AEFFLSMTSA-N 2 1 290.451 2.315 20 0 CEADMP Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000738882395 574883697 /nfs/dbraw/zinc/88/36/97/574883697.db2.gz SHBODGJNCJJLGV-AEFFLSMTSA-N 2 1 290.451 2.315 20 0 CEADMP Cc1ccccc1[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000741796038 574998999 /nfs/dbraw/zinc/99/89/99/574998999.db2.gz QWJBLKLSFZAEQN-WMZOPIPTSA-N 2 1 288.435 2.446 20 0 CEADMP OCCCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749515537 575223854 /nfs/dbraw/zinc/22/38/54/575223854.db2.gz TWEXZWQKHIBFEG-NVXWUHKLSA-N 2 1 280.456 2.488 20 0 CEADMP OCCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000749515537 575223857 /nfs/dbraw/zinc/22/38/57/575223857.db2.gz TWEXZWQKHIBFEG-NVXWUHKLSA-N 2 1 280.456 2.488 20 0 CEADMP OCCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000749515537 575223858 /nfs/dbraw/zinc/22/38/58/575223858.db2.gz TWEXZWQKHIBFEG-NVXWUHKLSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCC4(CCC4)O3)C2)C1 ZINC000878646021 651150412 /nfs/dbraw/zinc/15/04/12/651150412.db2.gz TVVCNIMJDGUJSL-GJZGRUSLSA-N 2 1 264.413 2.116 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CCC4(CCC4)O3)C2)C1 ZINC000878646021 651150415 /nfs/dbraw/zinc/15/04/15/651150415.db2.gz TVVCNIMJDGUJSL-GJZGRUSLSA-N 2 1 264.413 2.116 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CCC4(CCC4)O3)C2)C1 ZINC000878646021 651150417 /nfs/dbraw/zinc/15/04/17/651150417.db2.gz TVVCNIMJDGUJSL-GJZGRUSLSA-N 2 1 264.413 2.116 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000972480289 614545522 /nfs/dbraw/zinc/54/55/22/614545522.db2.gz ZDJLYNZHUCBQDS-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH+](C)CC)C1 ZINC000960818039 614667454 /nfs/dbraw/zinc/66/74/54/614667454.db2.gz MNARHJOVOGHCDI-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)CC)C1 ZINC000960818039 614667456 /nfs/dbraw/zinc/66/74/56/614667456.db2.gz MNARHJOVOGHCDI-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@H]2C[N@@H+](C)CC)C1 ZINC000960818039 614667458 /nfs/dbraw/zinc/66/74/58/614667458.db2.gz MNARHJOVOGHCDI-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775632 614673459 /nfs/dbraw/zinc/67/34/59/614673459.db2.gz NNLASNLTXRFHFQ-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000948775632 614673463 /nfs/dbraw/zinc/67/34/63/614673463.db2.gz NNLASNLTXRFHFQ-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000948775632 614673466 /nfs/dbraw/zinc/67/34/66/614673466.db2.gz NNLASNLTXRFHFQ-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC ZINC000968882060 614679869 /nfs/dbraw/zinc/67/98/69/614679869.db2.gz GOBKMZFNJZYYLQ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC ZINC000968882060 614679873 /nfs/dbraw/zinc/67/98/73/614679873.db2.gz GOBKMZFNJZYYLQ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC ZINC000968882060 614679876 /nfs/dbraw/zinc/67/98/76/614679876.db2.gz GOBKMZFNJZYYLQ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977660692 614781433 /nfs/dbraw/zinc/78/14/33/614781433.db2.gz ZUKSSYDIKSTHRJ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000977660692 614781436 /nfs/dbraw/zinc/78/14/36/614781436.db2.gz ZUKSSYDIKSTHRJ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC)C1 ZINC000970719900 614980999 /nfs/dbraw/zinc/98/09/99/614980999.db2.gz WSFZWXGZENCQGT-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000981742428 614981695 /nfs/dbraw/zinc/98/16/95/614981695.db2.gz GCEDLUWEQGZJKO-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966080754 615260330 /nfs/dbraw/zinc/26/03/30/615260330.db2.gz YPYLYGMMJJDORC-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000977214556 615355778 /nfs/dbraw/zinc/35/57/78/615355778.db2.gz FFVAAOJWXZHGPF-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001024367326 625533506 /nfs/dbraw/zinc/53/35/06/625533506.db2.gz ZXCYDPIEBKZTGY-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001024367326 625533508 /nfs/dbraw/zinc/53/35/08/625533508.db2.gz ZXCYDPIEBKZTGY-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090519188 623307095 /nfs/dbraw/zinc/30/70/95/623307095.db2.gz SNXJAOQPYCVEQW-BRWVUGGUSA-N 2 1 274.408 2.245 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000050248740 623374346 /nfs/dbraw/zinc/37/43/46/623374346.db2.gz ACQUAQSGEGYFHU-NSHDSACASA-N 2 1 286.322 2.077 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000050248740 623374352 /nfs/dbraw/zinc/37/43/52/623374352.db2.gz ACQUAQSGEGYFHU-NSHDSACASA-N 2 1 286.322 2.077 20 0 CEADMP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000261610926 623396823 /nfs/dbraw/zinc/39/68/23/623396823.db2.gz DXXOJAJXNMZWHW-HRCADAONSA-N 2 1 293.455 2.027 20 0 CEADMP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000261610925 623396994 /nfs/dbraw/zinc/39/69/94/623396994.db2.gz DXXOJAJXNMZWHW-BZUAXINKSA-N 2 1 293.455 2.027 20 0 CEADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123921379 623552100 /nfs/dbraw/zinc/55/21/00/623552100.db2.gz DPAFHISLJIYHCB-XJKSGUPXSA-N 2 1 274.408 2.332 20 0 CEADMP CO[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C12CCC2 ZINC000308384597 623675571 /nfs/dbraw/zinc/67/55/71/623675571.db2.gz ZHTLEGICICDQSJ-KGLIPLIRSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C(=O)c2cc3c[nH]ccc-3n2)CC[N@H+]1C ZINC000933438643 623743401 /nfs/dbraw/zinc/74/34/01/623743401.db2.gz BGNOXOILCQPTGI-YPMHNXCESA-N 2 1 286.379 2.118 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000926191894 623782398 /nfs/dbraw/zinc/78/23/98/623782398.db2.gz BSBZNAMEJSASSY-PFUJJPPESA-N 2 1 278.440 2.121 20 0 CEADMP CN(C)[C@H](C[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2)c1cccs1 ZINC000924549241 625705545 /nfs/dbraw/zinc/70/55/45/625705545.db2.gz HMZVREQRVNEBHN-MHRDGSLOSA-N 2 1 293.480 2.281 20 0 CEADMP C[NH+](C)[C@H](CNC1[C@@H]2CC[C@H]1C[N@@H+](C)C2)c1cccs1 ZINC000924549241 625705551 /nfs/dbraw/zinc/70/55/51/625705551.db2.gz HMZVREQRVNEBHN-MHRDGSLOSA-N 2 1 293.480 2.281 20 0 CEADMP C[NH+](C)[C@H](CNC1[C@@H]2CC[C@H]1C[N@H+](C)C2)c1cccs1 ZINC000924549241 625705556 /nfs/dbraw/zinc/70/55/56/625705556.db2.gz HMZVREQRVNEBHN-MHRDGSLOSA-N 2 1 293.480 2.281 20 0 CEADMP CC[C@H]1COC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926336273 624257809 /nfs/dbraw/zinc/25/78/09/624257809.db2.gz DVHLBIXAJBHFMZ-PPWQZUPISA-N 2 1 252.402 2.018 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn4ccnc4s3)CC[C@@H]21 ZINC000892231148 624440114 /nfs/dbraw/zinc/44/01/14/624440114.db2.gz VVUCDGALWFOTDI-OCCSQVGLSA-N 2 1 290.436 2.312 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn4ccnc4s3)CC[C@@H]21 ZINC000892231148 624440115 /nfs/dbraw/zinc/44/01/15/624440115.db2.gz VVUCDGALWFOTDI-OCCSQVGLSA-N 2 1 290.436 2.312 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn4ccnc4s3)CC[C@@H]21 ZINC000892231148 624440116 /nfs/dbraw/zinc/44/01/16/624440116.db2.gz VVUCDGALWFOTDI-OCCSQVGLSA-N 2 1 290.436 2.312 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn4ccnc4s3)CC[C@@H]21 ZINC000892231148 624440117 /nfs/dbraw/zinc/44/01/17/624440117.db2.gz VVUCDGALWFOTDI-OCCSQVGLSA-N 2 1 290.436 2.312 20 0 CEADMP CC1(C)CCC[N@@H+](CCNC(=[NH2+])NC2CCCC2)C1 ZINC000849022970 624653735 /nfs/dbraw/zinc/65/37/35/624653735.db2.gz ADIPZSYMRLCJRT-UHFFFAOYSA-N 2 1 266.433 2.165 20 0 CEADMP CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023364407 624996968 /nfs/dbraw/zinc/99/69/68/624996968.db2.gz KFRLBTDPWIZGJW-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023364407 624996970 /nfs/dbraw/zinc/99/69/70/624996970.db2.gz KFRLBTDPWIZGJW-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001023364407 624996972 /nfs/dbraw/zinc/99/69/72/624996972.db2.gz KFRLBTDPWIZGJW-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CO[C@@]1(C)C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1(C)C ZINC000782183414 625045801 /nfs/dbraw/zinc/04/58/01/625045801.db2.gz KWQKSKHGBSNFPD-HOCLYGCPSA-N 2 1 268.445 2.464 20 0 CEADMP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccccc1)Cc1ccccc1 ZINC000066242334 625814884 /nfs/dbraw/zinc/81/48/84/625814884.db2.gz XJUWNACZWHMOIE-QGZVFWFLSA-N 2 1 296.418 2.395 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H]1C[C@]1(C)Br ZINC000892517603 625876331 /nfs/dbraw/zinc/87/63/31/625876331.db2.gz PXLMHMNNPYRMGB-NEPJUHHUSA-N 2 1 277.250 2.480 20 0 CEADMP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cn2ccnc12 ZINC000820592729 634465071 /nfs/dbraw/zinc/46/50/71/634465071.db2.gz QSXUPADZTCJCTO-AWEZNQCLSA-N 2 1 286.379 2.454 20 0 CEADMP Cc1cc(NC(=O)[C@@H]2CCCN2C(C)C)cn2ccnc12 ZINC000820592729 634465076 /nfs/dbraw/zinc/46/50/76/634465076.db2.gz QSXUPADZTCJCTO-AWEZNQCLSA-N 2 1 286.379 2.454 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCCC[NH+]1CCCC1 ZINC000820638070 634483290 /nfs/dbraw/zinc/48/32/90/634483290.db2.gz WCLHUZDDXHPOQU-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000903454607 635137980 /nfs/dbraw/zinc/13/79/80/635137980.db2.gz FCWPPMVTLNUBEL-UTLUCORTSA-N 2 1 268.323 2.059 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000820805566 634532848 /nfs/dbraw/zinc/53/28/48/634532848.db2.gz NCCQPRYGVVEXKW-CQSZACIVSA-N 3 1 275.440 2.493 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@@H]2CCCO)CCOCC1 ZINC000820811154 634536272 /nfs/dbraw/zinc/53/62/72/634536272.db2.gz LQNXBXXDUGDDRM-HZPDHXFCSA-N 2 1 298.471 2.018 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCO1 ZINC000820828831 634543116 /nfs/dbraw/zinc/54/31/16/634543116.db2.gz BYVXIDZWKMJDPD-RRYDCEEVSA-N 2 1 264.413 2.301 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCS(=O)CC1 ZINC000892585953 627291145 /nfs/dbraw/zinc/29/11/45/627291145.db2.gz ZANVPLKEFXKWCQ-TZGCNFNXSA-N 2 1 286.485 2.142 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C[NH+]1CCCC1 ZINC000902316314 634579474 /nfs/dbraw/zinc/57/94/74/634579474.db2.gz QEASLEDXCVUEFJ-HUUCEWRRSA-N 3 1 267.461 2.086 20 0 CEADMP C[C@H]([NH2+]CCOC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000851926727 627766192 /nfs/dbraw/zinc/76/61/92/627766192.db2.gz WKZYFXWMYNPUIO-NWDGAFQWSA-N 2 1 276.371 2.468 20 0 CEADMP COCCC[NH+]1CCC([NH2+]Cc2cnc(F)cc2C)CC1 ZINC000892801571 627783313 /nfs/dbraw/zinc/78/33/13/627783313.db2.gz NVOAJBLZJKXHAK-UHFFFAOYSA-N 2 1 295.402 2.120 20 0 CEADMP CC(C)n1nccc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000394655261 627843161 /nfs/dbraw/zinc/84/31/61/627843161.db2.gz WZIPIKGXHHDNQR-AWEZNQCLSA-N 2 1 264.417 2.284 20 0 CEADMP CC(C)n1nccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000394655261 627843163 /nfs/dbraw/zinc/84/31/63/627843163.db2.gz WZIPIKGXHHDNQR-AWEZNQCLSA-N 2 1 264.417 2.284 20 0 CEADMP Cc1noc(C)c1C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893006560 627941542 /nfs/dbraw/zinc/94/15/42/627941542.db2.gz COCWJOPWDXNBCQ-SLYWTYHBSA-N 2 1 277.412 2.437 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](CO)c2cccc(F)c2)C1 ZINC000902362827 634618739 /nfs/dbraw/zinc/61/87/39/634618739.db2.gz SDONNHHWKHGRAR-HUUCEWRRSA-N 2 1 280.387 2.227 20 0 CEADMP CN(C)c1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000902363984 634619714 /nfs/dbraw/zinc/61/97/14/634619714.db2.gz XUBLJKAHWRTWRP-ZDUSSCGKSA-N 2 1 276.428 2.015 20 0 CEADMP OC[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)Cc1ccccc1 ZINC000925502786 627993861 /nfs/dbraw/zinc/99/38/61/627993861.db2.gz LXBFCNXHOXNIAI-IRXDYDNUSA-N 2 1 288.435 2.102 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC[N@H+]1C ZINC000925513966 628049967 /nfs/dbraw/zinc/04/99/67/628049967.db2.gz CJFNTMVISFLQQK-MWQQHZPXSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCN1C ZINC000925513966 628049969 /nfs/dbraw/zinc/04/99/69/628049969.db2.gz CJFNTMVISFLQQK-MWQQHZPXSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC[N@@H+]1C ZINC000925513966 628049972 /nfs/dbraw/zinc/04/99/72/628049972.db2.gz CJFNTMVISFLQQK-MWQQHZPXSA-N 3 1 279.472 2.227 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC[N@H+]1C ZINC000925513966 628049974 /nfs/dbraw/zinc/04/99/74/628049974.db2.gz CJFNTMVISFLQQK-MWQQHZPXSA-N 3 1 279.472 2.227 20 0 CEADMP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925520857 628075374 /nfs/dbraw/zinc/07/53/74/628075374.db2.gz AOZVNDSRKIMUKE-GWYTWCQOSA-N 2 1 286.419 2.348 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902389810 634630770 /nfs/dbraw/zinc/63/07/70/634630770.db2.gz ALXBRJGJIGCTJZ-HNNXBMFYSA-N 3 1 285.382 2.334 20 0 CEADMP CN(C)c1ncccc1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925544555 628181295 /nfs/dbraw/zinc/18/12/95/628181295.db2.gz ARVRZTLLWASCBG-ILXRZTDVSA-N 2 1 288.439 2.014 20 0 CEADMP Fc1cc(F)cc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925544895 628183680 /nfs/dbraw/zinc/18/36/80/628183680.db2.gz BEMYGJCUAQDLHZ-CQSZACIVSA-N 2 1 266.335 2.382 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925552297 628204743 /nfs/dbraw/zinc/20/47/43/628204743.db2.gz IJBNHVGQIBBMEO-OIGKAMSRSA-N 3 1 291.483 2.227 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCCCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925552297 628204744 /nfs/dbraw/zinc/20/47/44/628204744.db2.gz IJBNHVGQIBBMEO-OIGKAMSRSA-N 2 1 291.483 2.227 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925552297 628204745 /nfs/dbraw/zinc/20/47/45/628204745.db2.gz IJBNHVGQIBBMEO-OIGKAMSRSA-N 2 1 291.483 2.227 20 0 CEADMP COc1cccc(OCCC[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925581704 628260309 /nfs/dbraw/zinc/26/03/09/628260309.db2.gz TVASRSJVNGDRQQ-OAHLLOKOSA-N 2 1 278.396 2.194 20 0 CEADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925608807 628290292 /nfs/dbraw/zinc/29/02/92/628290292.db2.gz KFDXHTNYZQNQFS-SWLSCSKDSA-N 2 1 260.381 2.197 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@H](c2ccccc2)[C@H](C)[NH3+])C1 ZINC000925612946 628296325 /nfs/dbraw/zinc/29/63/25/628296325.db2.gz ONIKDRZTGFMCHK-UXLLHSPISA-N 2 1 275.440 2.396 20 0 CEADMP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[NH2+]C3(C)C)c21 ZINC000925631011 628325450 /nfs/dbraw/zinc/32/54/50/628325450.db2.gz WMPUSHPOYNZYRT-OAHLLOKOSA-N 2 1 287.407 2.449 20 0 CEADMP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@H]1COC2(CCCCC2)O1 ZINC000925635818 628334389 /nfs/dbraw/zinc/33/43/89/628334389.db2.gz PEEQZSXYZREDEB-LSDHHAIUSA-N 2 1 294.439 2.327 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)C1CCOCC1 ZINC000902428811 634649950 /nfs/dbraw/zinc/64/99/50/634649950.db2.gz ARACCLGCOLBBSM-GXTWGEPZSA-N 2 1 254.418 2.169 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)C1CCOCC1 ZINC000902428814 634650246 /nfs/dbraw/zinc/65/02/46/634650246.db2.gz ARACCLGCOLBBSM-TZMCWYRMSA-N 2 1 254.418 2.169 20 0 CEADMP CC(C)C[NH2+]C1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001026592424 628367640 /nfs/dbraw/zinc/36/76/40/628367640.db2.gz AELWKIHYNXTMHA-QQFBHYJXSA-N 2 1 295.471 2.001 20 0 CEADMP COCC1(C[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])CCOCC1 ZINC000925676205 628463257 /nfs/dbraw/zinc/46/32/57/628463257.db2.gz YRERJVNPIAKEOI-HOCLYGCPSA-N 2 1 292.423 2.108 20 0 CEADMP CC1(C)[C@@H](NCC[N@H+]2CCCC2(C)C)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925686679 628494515 /nfs/dbraw/zinc/49/45/15/628494515.db2.gz XMGNVNYCEALBQR-ILXRZTDVSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000925704599 628548442 /nfs/dbraw/zinc/54/84/42/628548442.db2.gz YYQLQMVBFZFFPZ-XZDPQHSOSA-N 2 1 275.396 2.032 20 0 CEADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925705374 628551324 /nfs/dbraw/zinc/55/13/24/628551324.db2.gz BCKJWUWMDURGSF-ORWVQRDHSA-N 2 1 268.404 2.437 20 0 CEADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@@H](O)c3ccccc31)[NH2+]2 ZINC000925710768 628559882 /nfs/dbraw/zinc/55/98/82/628559882.db2.gz QSUBKCYPYCJNTR-XELNZXPZSA-N 2 1 272.392 2.283 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000925711840 628563009 /nfs/dbraw/zinc/56/30/09/628563009.db2.gz SPKGIKRXQLKFTI-HZPDHXFCSA-N 2 1 264.413 2.043 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000925720007 628584787 /nfs/dbraw/zinc/58/47/87/628584787.db2.gz CMXLGVZJWZMOEO-LPEHRKFASA-N 2 1 251.201 2.300 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000925722071 628592215 /nfs/dbraw/zinc/59/22/15/628592215.db2.gz JBUHEMHZAZRLGH-KKUMJFAQSA-N 2 1 266.429 2.456 20 0 CEADMP Nc1ccnc2c1C[N@@H+](C[C@@H]1CCC(F)(F)C1)CC2 ZINC000931517766 628654824 /nfs/dbraw/zinc/65/48/24/628654824.db2.gz LEWBDVLOMWNTOG-SNVBAGLBSA-N 2 1 267.323 2.457 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H]1c1nc(C2CC[NH2+]CC2)no1 ZINC000258066184 628673319 /nfs/dbraw/zinc/67/33/19/628673319.db2.gz QCRMGIGEGOZFQL-GFCCVEGCSA-N 2 1 264.373 2.082 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1c1nc(C2CC[NH2+]CC2)no1 ZINC000258066184 628673322 /nfs/dbraw/zinc/67/33/22/628673322.db2.gz QCRMGIGEGOZFQL-GFCCVEGCSA-N 2 1 264.373 2.082 20 0 CEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1CCCCO1 ZINC000093678110 628692923 /nfs/dbraw/zinc/69/29/23/628692923.db2.gz UGPVZLZXKDYEFR-UYTSQGDYSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CC[N@@H+](CCN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000902455984 634677160 /nfs/dbraw/zinc/67/71/60/634677160.db2.gz MRFPPAPJWHBMKF-KBPBESRZSA-N 2 1 267.461 2.214 20 0 CEADMP CC1(C)CCN(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000902455984 634677164 /nfs/dbraw/zinc/67/71/64/634677164.db2.gz MRFPPAPJWHBMKF-KBPBESRZSA-N 2 1 267.461 2.214 20 0 CEADMP Cc1cc(N)nc(N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)[nH+]1 ZINC000893586116 628759804 /nfs/dbraw/zinc/75/98/04/628759804.db2.gz WVEIUYMDOFENEL-DOMZBBRYSA-N 2 1 285.395 2.471 20 0 CEADMP Cc1ccc(CC[NH2+]C2(CCO)CC[NH+](C)CC2)cc1C ZINC000893601277 628777786 /nfs/dbraw/zinc/77/77/86/628777786.db2.gz HHCCLTPHJIVZOR-UHFFFAOYSA-N 2 1 290.451 2.282 20 0 CEADMP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000925785771 628824148 /nfs/dbraw/zinc/82/41/48/628824148.db2.gz QYWNUZBQVVFTPU-UKTARXLSSA-N 2 1 292.423 2.393 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(O)c1 ZINC000925786093 628824966 /nfs/dbraw/zinc/82/49/66/628824966.db2.gz VSPFPKHCTFQTAZ-CMPLNLGQSA-N 2 1 270.323 2.288 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000902471970 634687524 /nfs/dbraw/zinc/68/75/24/634687524.db2.gz VUSLJQBVKHXGCO-REEYDVFISA-N 2 1 285.435 2.132 20 0 CEADMP CSC1CCC(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000925803212 628851685 /nfs/dbraw/zinc/85/16/85/628851685.db2.gz WCSCROKQFXTETN-GFJIZPEISA-N 2 1 256.459 2.496 20 0 CEADMP C[C@@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1c[nH+]ccc1N ZINC000925822303 628888509 /nfs/dbraw/zinc/88/85/09/628888509.db2.gz LOBBKTYVAKRXGQ-BZNIZROVSA-N 2 1 289.354 2.192 20 0 CEADMP CC[C@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000925824685 628894500 /nfs/dbraw/zinc/89/45/00/628894500.db2.gz ZZZDOMVJSXXTBX-HRCADAONSA-N 2 1 280.387 2.153 20 0 CEADMP CC(C)n1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000261549102 628937220 /nfs/dbraw/zinc/93/72/20/628937220.db2.gz GXESRXNDDNUKDN-JSGCOSHPSA-N 2 1 250.390 2.023 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000261549102 628937224 /nfs/dbraw/zinc/93/72/24/628937224.db2.gz GXESRXNDDNUKDN-JSGCOSHPSA-N 2 1 250.390 2.023 20 0 CEADMP CC[C@@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925843575 628946014 /nfs/dbraw/zinc/94/60/14/628946014.db2.gz FMFYNERGBHNEHX-CVEARBPZSA-N 2 1 267.461 2.230 20 0 CEADMP CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C)[C@H]3CCCC[NH2+]3)C2)n1 ZINC000925872205 628971091 /nfs/dbraw/zinc/97/10/91/628971091.db2.gz AWXABGPTWDLLNA-YIYPIFLZSA-N 2 1 292.427 2.388 20 0 CEADMP CC[C@@H]([NH2+]CCNc1ccc(C)cn1)[C@H]1CCCC[NH2+]1 ZINC000925877062 628976015 /nfs/dbraw/zinc/97/60/15/628976015.db2.gz DUXVPTAUULHMHJ-HUUCEWRRSA-N 2 1 276.428 2.312 20 0 CEADMP CCC[NH2+]CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000261669815 628980805 /nfs/dbraw/zinc/98/08/05/628980805.db2.gz PEBSEHGDEHFQMM-AWEZNQCLSA-N 2 1 297.830 2.059 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CC1 ZINC000925888589 628984944 /nfs/dbraw/zinc/98/49/44/628984944.db2.gz VVRHEBSEJMAWEX-HDICACEKSA-N 3 1 287.451 2.119 20 0 CEADMP Cc1ccc(CC[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1C ZINC000894083266 629113495 /nfs/dbraw/zinc/11/34/95/629113495.db2.gz MSCDHWVLSAWSTG-CALCHBBNSA-N 2 1 258.409 2.339 20 0 CEADMP Cc1ccc(CC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000894083266 629113498 /nfs/dbraw/zinc/11/34/98/629113498.db2.gz MSCDHWVLSAWSTG-CALCHBBNSA-N 2 1 258.409 2.339 20 0 CEADMP Cc1ccc(CC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000894083266 629113501 /nfs/dbraw/zinc/11/35/01/629113501.db2.gz MSCDHWVLSAWSTG-CALCHBBNSA-N 2 1 258.409 2.339 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCOc1cccc(F)c1 ZINC000902516058 634709896 /nfs/dbraw/zinc/70/98/96/634709896.db2.gz AKKUTXOIATZCJN-IUODEOHRSA-N 2 1 266.360 2.325 20 0 CEADMP Clc1c[nH+]ccc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000250168799 629154505 /nfs/dbraw/zinc/15/45/05/629154505.db2.gz LCNMTAYBNSFNFW-QWRGUYRKSA-N 2 1 267.760 2.010 20 0 CEADMP Clc1c[nH+]ccc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000250168799 629154506 /nfs/dbraw/zinc/15/45/06/629154506.db2.gz LCNMTAYBNSFNFW-QWRGUYRKSA-N 2 1 267.760 2.010 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902521413 634713081 /nfs/dbraw/zinc/71/30/81/634713081.db2.gz SJYRNYAVIQHBEL-VUKOWNLVSA-N 2 1 296.414 2.193 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2COCC2(C)C)C1 ZINC000894183494 629196135 /nfs/dbraw/zinc/19/61/35/629196135.db2.gz UPPRZVAMUMLUAL-ZNMIVQPWSA-N 2 1 268.445 2.369 20 0 CEADMP CC(C)n1nccc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261795868 629240663 /nfs/dbraw/zinc/24/06/63/629240663.db2.gz GNFQEDHBRXNKLR-OLZOCXBDSA-N 2 1 250.390 2.023 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261795868 629240666 /nfs/dbraw/zinc/24/06/66/629240666.db2.gz GNFQEDHBRXNKLR-OLZOCXBDSA-N 2 1 250.390 2.023 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000894241566 629248211 /nfs/dbraw/zinc/24/82/11/629248211.db2.gz JOSZIWGJDDMYBO-AWEZNQCLSA-N 2 1 276.428 2.182 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000894241566 629248213 /nfs/dbraw/zinc/24/82/13/629248213.db2.gz JOSZIWGJDDMYBO-AWEZNQCLSA-N 2 1 276.428 2.182 20 0 CEADMP CCn1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000894479339 629485346 /nfs/dbraw/zinc/48/53/46/629485346.db2.gz ODKOSBHVOSYXPC-INIZCTEOSA-N 2 1 290.455 2.375 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000894536250 629519568 /nfs/dbraw/zinc/51/95/68/629519568.db2.gz VIXPIPNDDCVVED-WLYUNCDWSA-N 2 1 256.434 2.390 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000894536250 629519570 /nfs/dbraw/zinc/51/95/70/629519570.db2.gz VIXPIPNDDCVVED-WLYUNCDWSA-N 2 1 256.434 2.390 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)CC1 ZINC000894633116 629567362 /nfs/dbraw/zinc/56/73/62/629567362.db2.gz DXPJUBLRONPDMB-INIZCTEOSA-N 2 1 278.440 2.219 20 0 CEADMP CCc1cccc(NC(=O)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000895038515 629808607 /nfs/dbraw/zinc/80/86/07/629808607.db2.gz RNRDIZXMCQTTMR-UKRRQHHQSA-N 2 1 289.423 2.260 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)CC1 ZINC000895179890 630012598 /nfs/dbraw/zinc/01/25/98/630012598.db2.gz IFTJOTMWOQLKGO-CYBMUJFWSA-N 2 1 258.356 2.449 20 0 CEADMP O=c1cc[nH]c2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc12 ZINC000895205286 630032306 /nfs/dbraw/zinc/03/23/06/630032306.db2.gz POOUWKJMNFVSLT-LSDHHAIUSA-N 2 1 297.402 2.245 20 0 CEADMP O=c1cc[nH]c2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc12 ZINC000895205286 630032317 /nfs/dbraw/zinc/03/23/17/630032317.db2.gz POOUWKJMNFVSLT-LSDHHAIUSA-N 2 1 297.402 2.245 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC=CO2)[C@@H]2CCC[C@@H]21 ZINC000796950193 630080242 /nfs/dbraw/zinc/08/02/42/630080242.db2.gz SXPQANCULYVELE-AJNGGQMLSA-N 2 1 250.386 2.142 20 0 CEADMP CC1(C)COC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895360097 630138615 /nfs/dbraw/zinc/13/86/15/630138615.db2.gz NBAATCUUGWZBPC-GJZGRUSLSA-N 2 1 266.429 2.123 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000895360827 630138957 /nfs/dbraw/zinc/13/89/57/630138957.db2.gz VOLQDFNDSFNVHP-OAHLLOKOSA-N 2 1 288.439 2.184 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895360827 630138963 /nfs/dbraw/zinc/13/89/63/630138963.db2.gz VOLQDFNDSFNVHP-OAHLLOKOSA-N 2 1 288.439 2.184 20 0 CEADMP CCn1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cn1 ZINC000895377552 630149283 /nfs/dbraw/zinc/14/92/83/630149283.db2.gz MBEKTKZOZHFPNZ-HOCLYGCPSA-N 2 1 278.444 2.455 20 0 CEADMP CCn1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cn1 ZINC000895377552 630149287 /nfs/dbraw/zinc/14/92/87/630149287.db2.gz MBEKTKZOZHFPNZ-HOCLYGCPSA-N 2 1 278.444 2.455 20 0 CEADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1CCCc1cnn(C)c1 ZINC000895378176 630150071 /nfs/dbraw/zinc/15/00/71/630150071.db2.gz HSEVWKWKDUAKJR-WBVHZDCISA-N 2 1 292.471 2.405 20 0 CEADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000895376183 630151893 /nfs/dbraw/zinc/15/18/93/630151893.db2.gz FEEUDIDOHFRQJO-ZBFHGGJFSA-N 2 1 266.429 2.385 20 0 CEADMP COC(=O)c1c[nH]c(C[NH2+]CC[C@H](C)[NH+](C)C)c1C1CC1 ZINC000895427215 630178072 /nfs/dbraw/zinc/17/80/72/630178072.db2.gz BREYITQWWWITGU-NSHDSACASA-N 2 1 293.411 2.109 20 0 CEADMP C[C@H](O)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000895472671 630209851 /nfs/dbraw/zinc/20/98/51/630209851.db2.gz JIEFPSDNYCRSJL-CJFPBWAHSA-N 2 1 274.408 2.323 20 0 CEADMP C[C@H](O)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000895472671 630209854 /nfs/dbraw/zinc/20/98/54/630209854.db2.gz JIEFPSDNYCRSJL-CJFPBWAHSA-N 2 1 274.408 2.323 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](CF)C2)cc1 ZINC000895572149 630253137 /nfs/dbraw/zinc/25/31/37/630253137.db2.gz AUNKGWSXVRJCFE-OAHLLOKOSA-N 2 1 280.387 2.418 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902735991 634802157 /nfs/dbraw/zinc/80/21/57/634802157.db2.gz MQBUUQWOEJXGFO-RFBLXINOSA-N 2 1 266.429 2.120 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(Cc3nccc4c3CCCC4)CC[C@H]21 ZINC000895844602 630368040 /nfs/dbraw/zinc/36/80/40/630368040.db2.gz SBEGLIBWRYRHIC-CRAIPNDOSA-N 2 1 285.435 2.486 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000896586233 630605176 /nfs/dbraw/zinc/60/51/76/630605176.db2.gz YBWAPPABQVWJFF-HNNXBMFYSA-N 2 1 292.423 2.238 20 0 CEADMP CCO[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000902804782 634829963 /nfs/dbraw/zinc/82/99/63/634829963.db2.gz VLMPOXAHNCCBSO-LSDHHAIUSA-N 2 1 284.444 2.035 20 0 CEADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000896734929 630652413 /nfs/dbraw/zinc/65/24/13/630652413.db2.gz KIFYHUZWDWSJGN-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H](CCO)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000798002510 630799612 /nfs/dbraw/zinc/79/96/12/630799612.db2.gz JIWONTUPNIRGTD-DZGCQCFKSA-N 2 1 254.418 2.144 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CCCOC3)C2)CC1 ZINC000798956877 630957196 /nfs/dbraw/zinc/95/71/96/630957196.db2.gz GLNMEXHDZWVOHH-HNNXBMFYSA-N 2 1 266.429 2.221 20 0 CEADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1)CCC2 ZINC000904320261 635565945 /nfs/dbraw/zinc/56/59/45/635565945.db2.gz FXTDUHMTEJVYLN-LOWVWBTDSA-N 2 1 265.426 2.498 20 0 CEADMP C[N@H+]1CCN(C[C@H]([NH3+])CCC(C)(C)C)C(C)(C)C1 ZINC000904322307 635567386 /nfs/dbraw/zinc/56/73/86/635567386.db2.gz WCMGDGKBVBFJAT-CYBMUJFWSA-N 2 1 255.450 2.166 20 0 CEADMP CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000985751431 631179899 /nfs/dbraw/zinc/17/98/99/631179899.db2.gz LRIURAXPLSZHLQ-ZBFHGGJFSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000785442093 631680071 /nfs/dbraw/zinc/68/00/71/631680071.db2.gz OVCUIXBVIYPTNC-CYBMUJFWSA-N 2 1 265.376 2.349 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000785442093 631680077 /nfs/dbraw/zinc/68/00/77/631680077.db2.gz OVCUIXBVIYPTNC-CYBMUJFWSA-N 2 1 265.376 2.349 20 0 CEADMP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897535541 631687061 /nfs/dbraw/zinc/68/70/61/631687061.db2.gz AGAYUINMAMKSOT-KLHDSHLOSA-N 2 1 266.429 2.144 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@]3(C)CCCS3)C[C@]2(C)C1 ZINC000897620672 631833212 /nfs/dbraw/zinc/83/32/12/631833212.db2.gz VBEOTIFFWMLIEF-HZSPNIEDSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@]3(C)CCCS3)C[C@]2(C)C1 ZINC000897620672 631833216 /nfs/dbraw/zinc/83/32/16/631833216.db2.gz VBEOTIFFWMLIEF-HZSPNIEDSA-N 2 1 254.443 2.156 20 0 CEADMP CC(C)C(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000808727223 632008143 /nfs/dbraw/zinc/00/81/43/632008143.db2.gz DJAOFHSBDCDTFM-CQSZACIVSA-N 2 1 252.402 2.019 20 0 CEADMP CC(C)C(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000808727223 632008146 /nfs/dbraw/zinc/00/81/46/632008146.db2.gz DJAOFHSBDCDTFM-CQSZACIVSA-N 2 1 252.402 2.019 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3nonc3c2)[C@H](C)C1 ZINC000897991794 632009306 /nfs/dbraw/zinc/00/93/06/632009306.db2.gz UHJNCKPMFUQZFN-YPMHNXCESA-N 2 1 274.368 2.043 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3nonc3c2)[C@H](C)C1 ZINC000897991794 632009312 /nfs/dbraw/zinc/00/93/12/632009312.db2.gz UHJNCKPMFUQZFN-YPMHNXCESA-N 2 1 274.368 2.043 20 0 CEADMP CC1(C)CCC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)O1 ZINC000898047348 632011120 /nfs/dbraw/zinc/01/11/20/632011120.db2.gz XXCSRNMNDBALLN-HZPDHXFCSA-N 2 1 296.455 2.177 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc([C@H](C)O)s2)C1 ZINC000809611849 632111194 /nfs/dbraw/zinc/11/11/94/632111194.db2.gz RCJVMSZLQJPREE-RYUDHWBXSA-N 2 1 283.441 2.018 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc([C@H](C)O)s2)C1 ZINC000809611849 632111196 /nfs/dbraw/zinc/11/11/96/632111196.db2.gz RCJVMSZLQJPREE-RYUDHWBXSA-N 2 1 283.441 2.018 20 0 CEADMP COC(=O)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC1CCCC1 ZINC000898344247 632173836 /nfs/dbraw/zinc/17/38/36/632173836.db2.gz FQZVRYGZPCUINP-KBMXLJTQSA-N 2 1 296.455 2.428 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCCC12CCC2)C[NH+](C)C ZINC000926960019 632386909 /nfs/dbraw/zinc/38/69/09/632386909.db2.gz LOXUNYIEGWBLKT-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CCC[C@H]1CCCF)C[NH+](C)C ZINC000926962063 632390043 /nfs/dbraw/zinc/39/00/43/632390043.db2.gz QKYZFUDEXVNPFL-ZNMIVQPWSA-N 2 1 274.424 2.461 20 0 CEADMP CCO[C@H](C[NH2+]C1CCC(C(F)F)CC1)C[NH+](C)C ZINC000926964880 632394329 /nfs/dbraw/zinc/39/43/29/632394329.db2.gz YHEOLVGYCUGTNI-WXRRBKDZSA-N 2 1 278.387 2.367 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C(C)(C)CO ZINC000924688983 632419990 /nfs/dbraw/zinc/41/99/90/632419990.db2.gz VYVDKYUOQUOVQB-GJZGRUSLSA-N 2 1 270.461 2.495 20 0 CEADMP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)n1 ZINC000927047805 632435505 /nfs/dbraw/zinc/43/55/05/632435505.db2.gz IPKKNPNQALBLEC-RFQIPJPRSA-N 2 1 292.427 2.340 20 0 CEADMP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n1 ZINC000927047805 632435510 /nfs/dbraw/zinc/43/55/10/632435510.db2.gz IPKKNPNQALBLEC-RFQIPJPRSA-N 2 1 292.427 2.340 20 0 CEADMP Cn1nc(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1C1CC1 ZINC000927108811 632465767 /nfs/dbraw/zinc/46/57/67/632465767.db2.gz TVJXCCNWQPRRIB-PMPSAXMXSA-N 2 1 288.439 2.260 20 0 CEADMP Cn1nc(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1C1CC1 ZINC000927108811 632465769 /nfs/dbraw/zinc/46/57/69/632465769.db2.gz TVJXCCNWQPRRIB-PMPSAXMXSA-N 2 1 288.439 2.260 20 0 CEADMP C[NH+]1CCC([NH2+]CCCOc2cccc(F)c2)CC1 ZINC000898445770 632502480 /nfs/dbraw/zinc/50/24/80/632502480.db2.gz MXQUAWITSGPTRG-UHFFFAOYSA-N 2 1 266.360 2.278 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000898512159 632524029 /nfs/dbraw/zinc/52/40/29/632524029.db2.gz IGZMORVIDZIFSJ-SJORKVTESA-N 2 1 280.456 2.467 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000813335833 632673995 /nfs/dbraw/zinc/67/39/95/632673995.db2.gz ITPAIYKHPCNXBQ-CQSZACIVSA-N 2 1 284.444 2.239 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000813335833 632673999 /nfs/dbraw/zinc/67/39/99/632673999.db2.gz ITPAIYKHPCNXBQ-CQSZACIVSA-N 2 1 284.444 2.239 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000813335833 632674005 /nfs/dbraw/zinc/67/40/05/632674005.db2.gz ITPAIYKHPCNXBQ-CQSZACIVSA-N 2 1 284.444 2.239 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000813335833 632674008 /nfs/dbraw/zinc/67/40/08/632674008.db2.gz ITPAIYKHPCNXBQ-CQSZACIVSA-N 2 1 284.444 2.239 20 0 CEADMP C[N@@H+](Cc1cccc(-c2cnc(C[NH3+])nc2)c1)C1CC1 ZINC000899323317 632784530 /nfs/dbraw/zinc/78/45/30/632784530.db2.gz GXQLGQKJGKJKJQ-UHFFFAOYSA-N 2 1 268.364 2.197 20 0 CEADMP Cc1nc(C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)[nH]c1C ZINC000899506020 632883690 /nfs/dbraw/zinc/88/36/90/632883690.db2.gz WAMZKYMBPCNYFE-UHFFFAOYSA-N 2 1 292.427 2.073 20 0 CEADMP COc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)nc1 ZINC000815143665 632971221 /nfs/dbraw/zinc/97/12/21/632971221.db2.gz NFOHFVDHBINWGS-MRXNPFEDSA-N 2 1 275.396 2.008 20 0 CEADMP CC[C@H](C)C[C@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000900005861 633170589 /nfs/dbraw/zinc/17/05/89/633170589.db2.gz MVRJYODJFYGSRP-UWVGGRQHSA-N 2 1 252.362 2.234 20 0 CEADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CCCCC1 ZINC000900198044 633582151 /nfs/dbraw/zinc/58/21/51/633582151.db2.gz QFNZBQQTZNHDNY-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000817894469 633757312 /nfs/dbraw/zinc/75/73/12/633757312.db2.gz ZLJTUDPRMAXTFT-WBMJQRKESA-N 2 1 271.364 2.187 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccsc1 ZINC000817896317 633758372 /nfs/dbraw/zinc/75/83/72/633758372.db2.gz GCUDVXNBJGHXNB-APHBMKBZSA-N 2 1 290.432 2.330 20 0 CEADMP Cc1cccc(OCCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000817906856 633766225 /nfs/dbraw/zinc/76/62/25/633766225.db2.gz FJDUKIPLTPTFHY-GOEBONIOSA-N 2 1 262.397 2.494 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])N1CCCCC1 ZINC000817913910 633772466 /nfs/dbraw/zinc/77/24/66/633772466.db2.gz QNRHHVNMTMBPLF-KFWWJZLASA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1c[nH+]ccc1N ZINC000817928760 633783447 /nfs/dbraw/zinc/78/34/47/633783447.db2.gz AIPQSQATYXCQIU-HIFRSBDPSA-N 2 1 285.391 2.138 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2COc3ccccc3[C@H]2O)c2ccccc21 ZINC000817932170 633785593 /nfs/dbraw/zinc/78/55/93/633785593.db2.gz RRZIXNNRKNYTJU-MUQADHOPSA-N 2 1 296.370 2.215 20 0 CEADMP COCc1cc([C@@H](C)[NH2+]CC(C)(C)[NH3+])ccc1OC ZINC000817959909 633802481 /nfs/dbraw/zinc/80/24/81/633802481.db2.gz HCTHEYSACXEPIW-LLVKDONJSA-N 2 1 266.385 2.230 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1C ZINC000817981713 633824284 /nfs/dbraw/zinc/82/42/84/633824284.db2.gz NAXHKFRANYICDW-GJZGRUSLSA-N 2 1 292.423 2.341 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+]2C(C)(C)C)[C@H](C)C1 ZINC000900825189 633859066 /nfs/dbraw/zinc/85/90/66/633859066.db2.gz SGHBPXFGZQAYDO-ILXRZTDVSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)[C@H](C)C1 ZINC000900825189 633859070 /nfs/dbraw/zinc/85/90/70/633859070.db2.gz SGHBPXFGZQAYDO-ILXRZTDVSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)[C@H](C)C1 ZINC000900825189 633859071 /nfs/dbraw/zinc/85/90/71/633859071.db2.gz SGHBPXFGZQAYDO-ILXRZTDVSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@H](NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C(C)(C)C[NH+](C)C ZINC000900832857 633861929 /nfs/dbraw/zinc/86/19/29/633861929.db2.gz PTFLCFMQAYQRAB-SOUVJXGZSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)C1CC1 ZINC000818959558 634017322 /nfs/dbraw/zinc/01/73/22/634017322.db2.gz NWTIOPZWPHCSDE-DZGCQCFKSA-N 2 1 254.418 2.002 20 0 CEADMP CSCC[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000819085910 634063886 /nfs/dbraw/zinc/06/38/86/634063886.db2.gz JNSXTKJZSDHYOQ-GOEBONIOSA-N 2 1 296.480 2.211 20 0 CEADMP CSCC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000819085910 634063893 /nfs/dbraw/zinc/06/38/93/634063893.db2.gz JNSXTKJZSDHYOQ-GOEBONIOSA-N 2 1 296.480 2.211 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000819099772 634067533 /nfs/dbraw/zinc/06/75/33/634067533.db2.gz AXBAIDCFZAFROG-INIZCTEOSA-N 2 1 291.370 2.434 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)C1=CC[N@@H+](C)CC1 ZINC000819219728 634107780 /nfs/dbraw/zinc/10/77/80/634107780.db2.gz GMMCPNWGYBHBQH-NHYWBVRUSA-N 2 1 296.361 2.238 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@]1(C)CC1(Cl)Cl)C1CC1 ZINC000819350895 634149797 /nfs/dbraw/zinc/14/97/97/634149797.db2.gz TXOHCOPCALPSQL-NWDGAFQWSA-N 2 1 295.254 2.005 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@]1(C)CC1(Cl)Cl)C1CC1 ZINC000819350895 634149800 /nfs/dbraw/zinc/14/98/00/634149800.db2.gz TXOHCOPCALPSQL-NWDGAFQWSA-N 2 1 295.254 2.005 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902818026 634840624 /nfs/dbraw/zinc/84/06/24/634840624.db2.gz ICLMISDTFORMTH-FIDHJVLJSA-N 2 1 289.423 2.375 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1(C)C ZINC000902981276 634918336 /nfs/dbraw/zinc/91/83/36/634918336.db2.gz KRRKSBIJGQVJTF-MUJYYYPQSA-N 2 1 279.472 2.181 20 0 CEADMP CCO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000902973620 634924978 /nfs/dbraw/zinc/92/49/78/634924978.db2.gz VGRZMMGJIYIDAF-YESZJQIVSA-N 2 1 298.471 2.425 20 0 CEADMP CCO[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000902973620 634924981 /nfs/dbraw/zinc/92/49/81/634924981.db2.gz VGRZMMGJIYIDAF-YESZJQIVSA-N 2 1 298.471 2.425 20 0 CEADMP CC(C)[N@@H+](C)CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903067666 634953486 /nfs/dbraw/zinc/95/34/86/634953486.db2.gz SQKGUIVPTRZRKE-ZXFUBFMLSA-N 2 1 279.472 2.464 20 0 CEADMP CC(C)[NH+](C)CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903067666 634953487 /nfs/dbraw/zinc/95/34/87/634953487.db2.gz SQKGUIVPTRZRKE-ZXFUBFMLSA-N 2 1 279.472 2.464 20 0 CEADMP CC(C)[NH+](C)CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903067666 634953490 /nfs/dbraw/zinc/95/34/90/634953490.db2.gz SQKGUIVPTRZRKE-ZXFUBFMLSA-N 2 1 279.472 2.464 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903067666 634953493 /nfs/dbraw/zinc/95/34/93/634953493.db2.gz SQKGUIVPTRZRKE-ZXFUBFMLSA-N 3 1 279.472 2.464 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903067666 634953496 /nfs/dbraw/zinc/95/34/96/634953496.db2.gz SQKGUIVPTRZRKE-ZXFUBFMLSA-N 3 1 279.472 2.464 20 0 CEADMP CC(C)[NH+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903067666 634953497 /nfs/dbraw/zinc/95/34/97/634953497.db2.gz SQKGUIVPTRZRKE-ZXFUBFMLSA-N 3 1 279.472 2.464 20 0 CEADMP CC(C)[NH+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903067666 634953500 /nfs/dbraw/zinc/95/35/00/634953500.db2.gz SQKGUIVPTRZRKE-ZXFUBFMLSA-N 3 1 279.472 2.464 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822621376 634956638 /nfs/dbraw/zinc/95/66/38/634956638.db2.gz IUJONEKJWBFLCT-WDEREUQCSA-N 2 1 265.228 2.454 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822621376 634956641 /nfs/dbraw/zinc/95/66/41/634956641.db2.gz IUJONEKJWBFLCT-WDEREUQCSA-N 2 1 265.228 2.454 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C[NH+]1CCCC1 ZINC000903075459 634958132 /nfs/dbraw/zinc/95/81/32/634958132.db2.gz WFNOAQKBVZTSTH-DUZACMNTSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C[NH+]1CCCC1 ZINC000903075459 634958135 /nfs/dbraw/zinc/95/81/35/634958135.db2.gz WFNOAQKBVZTSTH-DUZACMNTSA-N 3 1 291.483 2.466 20 0 CEADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C[NH+]1CCCC1 ZINC000903075459 634958136 /nfs/dbraw/zinc/95/81/36/634958136.db2.gz WFNOAQKBVZTSTH-DUZACMNTSA-N 3 1 291.483 2.466 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCO[C@@]23CCOC3)C1 ZINC000903068310 634965219 /nfs/dbraw/zinc/96/52/19/634965219.db2.gz BNWUKJUELXVZRC-BRWVUGGUSA-N 2 1 296.455 2.036 20 0 CEADMP c1cncc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903097850 634967889 /nfs/dbraw/zinc/96/78/89/634967889.db2.gz VOSLMILYFNISGH-VHRNVKJDSA-N 2 1 287.407 2.208 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903110214 634973681 /nfs/dbraw/zinc/97/36/81/634973681.db2.gz AXNBLOVVSWZDBS-JHFHMCQTSA-N 2 1 289.467 2.217 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903110214 634973684 /nfs/dbraw/zinc/97/36/84/634973684.db2.gz AXNBLOVVSWZDBS-JHFHMCQTSA-N 2 1 289.467 2.217 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903110214 634973689 /nfs/dbraw/zinc/97/36/89/634973689.db2.gz AXNBLOVVSWZDBS-JHFHMCQTSA-N 2 1 289.467 2.217 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903110214 634973693 /nfs/dbraw/zinc/97/36/93/634973693.db2.gz AXNBLOVVSWZDBS-JHFHMCQTSA-N 2 1 289.467 2.217 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903110214 634973697 /nfs/dbraw/zinc/97/36/97/634973697.db2.gz AXNBLOVVSWZDBS-JHFHMCQTSA-N 2 1 289.467 2.217 20 0 CEADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000903091731 634974226 /nfs/dbraw/zinc/97/42/26/634974226.db2.gz ZMNPVTJIMRSVSB-QLFBSQMISA-N 2 1 254.418 2.264 20 0 CEADMP Cc1nnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)s1 ZINC000903172422 634998062 /nfs/dbraw/zinc/99/80/62/634998062.db2.gz QQPAMCQQLBEVGV-QXMXGUDHSA-N 2 1 292.452 2.136 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000903321322 635054408 /nfs/dbraw/zinc/05/44/08/635054408.db2.gz CBHYOHXNLWDJKK-BPQIPLTHSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000903321322 635054412 /nfs/dbraw/zinc/05/44/12/635054412.db2.gz CBHYOHXNLWDJKK-BPQIPLTHSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CCCOC1 ZINC000903379721 635093452 /nfs/dbraw/zinc/09/34/52/635093452.db2.gz IGWWLOMEFXVCCW-USXIJHARSA-N 2 1 291.439 2.479 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000903431350 635114511 /nfs/dbraw/zinc/11/45/11/635114511.db2.gz VCAJIIPCSYQXIZ-MAZHCROVSA-N 2 1 278.371 2.326 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC000903431078 635114595 /nfs/dbraw/zinc/11/45/95/635114595.db2.gz LQAMHDAMVBNMME-TUAOUCFPSA-N 2 1 280.334 2.157 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000903435755 635116988 /nfs/dbraw/zinc/11/69/88/635116988.db2.gz YPMFOTGKCAWJIL-SNPRPXQTSA-N 2 1 288.391 2.408 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903422910 635123342 /nfs/dbraw/zinc/12/33/42/635123342.db2.gz MQEFWPIXZVZOBQ-MRVWCRGKSA-N 2 1 266.335 2.316 20 0 CEADMP COC[C@@H](C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C(C)C ZINC000903459450 635125209 /nfs/dbraw/zinc/12/52/09/635125209.db2.gz KYWVOIBZFGQQJS-LSDHHAIUSA-N 2 1 268.445 2.369 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)C2 ZINC000903460658 635126233 /nfs/dbraw/zinc/12/62/33/635126233.db2.gz HBHOIHQHUVOYJA-HPCHECBXSA-N 2 1 270.367 2.339 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)C2 ZINC000903464500 635126494 /nfs/dbraw/zinc/12/64/94/635126494.db2.gz PSEVSICTUYYOBB-WJTVCTBASA-N 2 1 256.340 2.091 20 0 CEADMP C[C@H](c1ncccn1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000903463725 635126839 /nfs/dbraw/zinc/12/68/39/635126839.db2.gz KHMVYONARYLWFG-UKRRQHHQSA-N 2 1 274.412 2.249 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000903442216 635128282 /nfs/dbraw/zinc/12/82/82/635128282.db2.gz KZPHHPYDOLSOLE-OWSLCNJRSA-N 2 1 293.499 2.428 20 0 CEADMP Cc1cc(C2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)n[nH]1 ZINC000903457459 635140278 /nfs/dbraw/zinc/14/02/78/635140278.db2.gz TUDUTCZCWILONO-OCCSQVGLSA-N 2 1 262.401 2.025 20 0 CEADMP CC1(C)CC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)OC1 ZINC000903472601 635142819 /nfs/dbraw/zinc/14/28/19/635142819.db2.gz SVVCKVRQRBHGOW-OLZOCXBDSA-N 2 1 252.402 2.066 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCOc3cccc(F)c3C2)C1 ZINC000903476343 635145467 /nfs/dbraw/zinc/14/54/67/635145467.db2.gz UVEYWMAQGARYGK-NWDGAFQWSA-N 2 1 264.344 2.148 20 0 CEADMP Cc1cncc([C@H]2CCC[N@@H+]2C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903476445 635145897 /nfs/dbraw/zinc/14/58/97/635145897.db2.gz WWNBFZLDQHYBCL-VNQPRFMTSA-N 2 1 259.397 2.382 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H](C(F)(F)F)O1 ZINC000903479035 635148827 /nfs/dbraw/zinc/14/88/27/635148827.db2.gz QMYJAPMKALRMPC-WYUUTHIRSA-N 2 1 280.334 2.156 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)C[C@H]1CC[NH3+] ZINC000903500338 635154363 /nfs/dbraw/zinc/15/43/63/635154363.db2.gz XJKGELPJDLLJQD-ZIAGYGMSSA-N 2 1 261.413 2.169 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)C1 ZINC000903491025 635156409 /nfs/dbraw/zinc/15/64/09/635156409.db2.gz RIDMOFJSICGFGT-HPBDAGMYSA-N 2 1 286.419 2.014 20 0 CEADMP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496671 635158053 /nfs/dbraw/zinc/15/80/53/635158053.db2.gz YFPWDBYGNHNOQW-FRRDWIJNSA-N 2 1 293.386 2.069 20 0 CEADMP c1csc(C[C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000903565249 635164801 /nfs/dbraw/zinc/16/48/01/635164801.db2.gz HRVZFHCHFUTMMW-CHWSQXEVSA-N 2 1 265.426 2.007 20 0 CEADMP CC(C)c1nnc2n1CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]2C ZINC000903577550 635169378 /nfs/dbraw/zinc/16/93/78/635169378.db2.gz NYDSELMPQDMELW-KBPBESRZSA-N 2 1 291.443 2.168 20 0 CEADMP CC(C)c1nnc2n1CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]2C ZINC000903577550 635169383 /nfs/dbraw/zinc/16/93/83/635169383.db2.gz NYDSELMPQDMELW-KBPBESRZSA-N 2 1 291.443 2.168 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717264 635232603 /nfs/dbraw/zinc/23/26/03/635232603.db2.gz LWOJAXIBIHNNHM-QLFBSQMISA-N 2 1 252.402 2.020 20 0 CEADMP C[N@H+](Cc1ccsc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903719367 635233977 /nfs/dbraw/zinc/23/39/77/635233977.db2.gz YVQRRRFYZSSOAA-CQSZACIVSA-N 2 1 280.437 2.339 20 0 CEADMP COc1ccc([C@@H](CO)[N@@H+](C)C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000903728706 635240421 /nfs/dbraw/zinc/24/04/21/635240421.db2.gz FFKALSZYMHPHPV-RHSMWYFYSA-N 2 1 292.423 2.050 20 0 CEADMP CCC[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C[C@@H]1CCCCO1 ZINC000903729715 635240475 /nfs/dbraw/zinc/24/04/75/635240475.db2.gz RFNZZIJZJUBLRU-BBWFWOEESA-N 2 1 296.455 2.036 20 0 CEADMP c1ccc2c(c1)CCC[N@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903729674 635241320 /nfs/dbraw/zinc/24/13/20/635241320.db2.gz QJWXRSODXJKCTM-ZWKOTPCHSA-N 2 1 286.419 2.203 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCCC2(CCOCC2)C1 ZINC000903730424 635241927 /nfs/dbraw/zinc/24/19/27/635241927.db2.gz WEBIHPQIGCFZJR-HNNXBMFYSA-N 2 1 266.429 2.269 20 0 CEADMP CC(C)[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903734159 635250629 /nfs/dbraw/zinc/25/06/29/635250629.db2.gz PFHNGDPZVPYUOD-LSDHHAIUSA-N 2 1 252.402 2.018 20 0 CEADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCCC[C@H]1C1CCC1 ZINC000903764337 635256997 /nfs/dbraw/zinc/25/69/97/635256997.db2.gz RNQDKDRYAAGPAN-ULQDDVLXSA-N 2 1 278.440 2.410 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)[C@@H]1CCC[NH3+] ZINC000903767103 635258839 /nfs/dbraw/zinc/25/88/39/635258839.db2.gz UDDIZFAUIWHTMX-BZUAXINKSA-N 3 1 267.461 2.216 20 0 CEADMP FC1(F)CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903770095 635259786 /nfs/dbraw/zinc/25/97/86/635259786.db2.gz SMFMMJNPWLFJRP-ZDUSSCGKSA-N 2 1 288.382 2.266 20 0 CEADMP CCn1nc(C)c(C[N@H+](C)C[C@H]2CCCC[NH2+]C2)c1C ZINC000903775472 635264547 /nfs/dbraw/zinc/26/45/47/635264547.db2.gz LSRBWLDUFJYWGH-HNNXBMFYSA-N 2 1 278.444 2.341 20 0 CEADMP CCn1nc(C)c(C[N@@H+](C)C[C@H]2CCCC[NH2+]C2)c1C ZINC000903775472 635264550 /nfs/dbraw/zinc/26/45/50/635264550.db2.gz LSRBWLDUFJYWGH-HNNXBMFYSA-N 2 1 278.444 2.341 20 0 CEADMP FC(F)(F)[C@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903777802 635265959 /nfs/dbraw/zinc/26/59/59/635265959.db2.gz GAWLOLNAQIJZOM-YNEHKIRRSA-N 2 1 292.345 2.029 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C(C)(C)C ZINC000903781312 635267596 /nfs/dbraw/zinc/26/75/96/635267596.db2.gz PRTYSGKSISCKOS-YCPHGPKFSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C[C@H]1CC[NH3+] ZINC000903784408 635268290 /nfs/dbraw/zinc/26/82/90/635268290.db2.gz OCFIPLJIPDJOJL-FDYHWXHSSA-N 2 1 294.361 2.403 20 0 CEADMP CC(C)Cc1noc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)n1 ZINC000903789130 635270964 /nfs/dbraw/zinc/27/09/64/635270964.db2.gz PPVCPWLKCYDBOO-UHFFFAOYSA-N 2 1 294.443 2.465 20 0 CEADMP NC[C@@]12CC[C@H]1CCC[N@@H+]2CCc1cccs1 ZINC000903799108 635275577 /nfs/dbraw/zinc/27/55/77/635275577.db2.gz QUDCALDXKQPDNX-OCCSQVGLSA-N 2 1 250.411 2.494 20 0 CEADMP NC[C@@]12CC[C@H]1CCC[N@H+]2CCc1cccs1 ZINC000903799108 635275578 /nfs/dbraw/zinc/27/55/78/635275578.db2.gz QUDCALDXKQPDNX-OCCSQVGLSA-N 2 1 250.411 2.494 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2CCc1cccs1 ZINC000903799108 635275583 /nfs/dbraw/zinc/27/55/83/635275583.db2.gz QUDCALDXKQPDNX-OCCSQVGLSA-N 2 1 250.411 2.494 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CCc1cccs1 ZINC000903799108 635275588 /nfs/dbraw/zinc/27/55/88/635275588.db2.gz QUDCALDXKQPDNX-OCCSQVGLSA-N 2 1 250.411 2.494 20 0 CEADMP CC(C)CCOCC[N@@H+]1CCC[C@@H]2CC[C@]21CN ZINC000903798629 635276212 /nfs/dbraw/zinc/27/62/12/635276212.db2.gz OIOAPOUUOHNQQO-CABCVRRESA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC[C@@H]2CC[C@]21CN ZINC000903798629 635276220 /nfs/dbraw/zinc/27/62/20/635276220.db2.gz OIOAPOUUOHNQQO-CABCVRRESA-N 2 1 254.418 2.252 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCOC(F)F)CCC1 ZINC000903813047 635286627 /nfs/dbraw/zinc/28/66/27/635286627.db2.gz YBRHOJLKIDFINI-LLVKDONJSA-N 2 1 262.344 2.209 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCCOc1ccccc1 ZINC000903854371 635305030 /nfs/dbraw/zinc/30/50/30/635305030.db2.gz JRBWYAZDISXMLK-GOEBONIOSA-N 2 1 260.381 2.269 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCCOc1ccccc1 ZINC000903854371 635305032 /nfs/dbraw/zinc/30/50/32/635305032.db2.gz JRBWYAZDISXMLK-GOEBONIOSA-N 2 1 260.381 2.269 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+])C1CCCC1 ZINC000903857025 635307188 /nfs/dbraw/zinc/30/71/88/635307188.db2.gz CEZNDCLRZNRYIV-RRFJBIMHSA-N 2 1 252.402 2.005 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+])C1CCCC1 ZINC000903857025 635307190 /nfs/dbraw/zinc/30/71/90/635307190.db2.gz CEZNDCLRZNRYIV-RRFJBIMHSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903879620 635324821 /nfs/dbraw/zinc/32/48/21/635324821.db2.gz FWNLAZMOMCDGAQ-QLFBSQMISA-N 2 1 291.443 2.213 20 0 CEADMP CC(C)C[C@@H]1CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903884052 635326407 /nfs/dbraw/zinc/32/64/07/635326407.db2.gz PZGPMLPKMUHMFW-GJZGRUSLSA-N 2 1 291.443 2.213 20 0 CEADMP CC(C)C[C@H]1COCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903892638 635329027 /nfs/dbraw/zinc/32/90/27/635329027.db2.gz KUHHLMNTIJQUOG-UYTSQGDYSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@@]1(C)CCC[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903895027 635329903 /nfs/dbraw/zinc/32/99/03/635329903.db2.gz JTDDHEBRDDOSQB-RDJZCZTQSA-N 2 1 292.471 2.358 20 0 CEADMP CC[C@H](C)C[N@@H+](CC)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899864 635334709 /nfs/dbraw/zinc/33/47/09/635334709.db2.gz XUOMMZQRRYJWGM-ZFWWWQNUSA-N 2 1 280.460 2.214 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c2c(c1)C[NH2+]CC2 ZINC000903909229 635342760 /nfs/dbraw/zinc/34/27/60/635342760.db2.gz CTNBAGPGBMDNGW-WBVHZDCISA-N 2 1 286.419 2.191 20 0 CEADMP C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903911194 635344325 /nfs/dbraw/zinc/34/43/25/635344325.db2.gz YPFKPVQTXNLCKF-QWQRMKEZSA-N 2 1 288.435 2.314 20 0 CEADMP [NH3+]CCC[C@@H](NC[C@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903919673 635348933 /nfs/dbraw/zinc/34/89/33/635348933.db2.gz PMDAPHMJUNVXIB-CHWSQXEVSA-N 2 1 271.355 2.039 20 0 CEADMP N[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)CC(F)F ZINC000903919673 635348937 /nfs/dbraw/zinc/34/89/37/635348937.db2.gz PMDAPHMJUNVXIB-CHWSQXEVSA-N 2 1 271.355 2.039 20 0 CEADMP O[C@@H]1C[C@H](c2ccccc2)[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903930543 635356647 /nfs/dbraw/zinc/35/66/47/635356647.db2.gz ZRJHORIPYSBIBA-MOUFXGFKSA-N 2 1 286.419 2.325 20 0 CEADMP C[C@@H](C[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1)C(C)(C)C ZINC000903937377 635362054 /nfs/dbraw/zinc/36/20/54/635362054.db2.gz JORWVTMJBKKEKM-UONOGXRCSA-N 2 1 293.459 2.317 20 0 CEADMP Oc1cccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000903959620 635368988 /nfs/dbraw/zinc/36/89/88/635368988.db2.gz LBFLNRXCZCBQOC-INIZCTEOSA-N 2 1 260.381 2.358 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000903948363 635380527 /nfs/dbraw/zinc/38/05/27/635380527.db2.gz OLNSYAVVWQEIJP-INIZCTEOSA-N 3 1 267.461 2.184 20 0 CEADMP Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)c(C)c1 ZINC000904309892 635558750 /nfs/dbraw/zinc/55/87/50/635558750.db2.gz SDLHIMCNBVTTQA-GASCZTMLSA-N 2 1 289.423 2.219 20 0 CEADMP COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313956 635562373 /nfs/dbraw/zinc/56/23/73/635562373.db2.gz OYEQLXCDORKWHA-IMJJTQAJSA-N 2 1 274.408 2.439 20 0 CEADMP C[N@@H+](C[C@]1(C)CCC[NH2+]C1)[C@H](CCO)c1ccccc1 ZINC000904322429 635568833 /nfs/dbraw/zinc/56/88/33/635568833.db2.gz YBPJZRMRLGEXMC-IAGOWNOFSA-N 2 1 276.424 2.432 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000904328268 635573561 /nfs/dbraw/zinc/57/35/61/635573561.db2.gz NBYMTOZYXFLGKN-CABCVRRESA-N 2 1 293.459 2.144 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000904328268 635573564 /nfs/dbraw/zinc/57/35/64/635573564.db2.gz NBYMTOZYXFLGKN-CABCVRRESA-N 2 1 293.459 2.144 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)C1 ZINC000904341982 635580310 /nfs/dbraw/zinc/58/03/10/635580310.db2.gz SVCOLPHBIXWAGB-GLQYFDAESA-N 2 1 280.799 2.451 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)C1 ZINC000904341982 635580311 /nfs/dbraw/zinc/58/03/11/635580311.db2.gz SVCOLPHBIXWAGB-GLQYFDAESA-N 2 1 280.799 2.451 20 0 CEADMP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C(C)(C)CN1CCCCCC1 ZINC000904342458 635580342 /nfs/dbraw/zinc/58/03/42/635580342.db2.gz ICSFVZXUMWTDBC-GASCZTMLSA-N 2 1 267.461 2.310 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C(C)(C)CN1CCCCCC1 ZINC000904342458 635580347 /nfs/dbraw/zinc/58/03/47/635580347.db2.gz ICSFVZXUMWTDBC-GASCZTMLSA-N 2 1 267.461 2.310 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)C1 ZINC000904344904 635581584 /nfs/dbraw/zinc/58/15/84/635581584.db2.gz AKVDMISQPNJOHS-NVBFEUDRSA-N 2 1 282.334 2.075 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)C1 ZINC000904344904 635581586 /nfs/dbraw/zinc/58/15/86/635581586.db2.gz AKVDMISQPNJOHS-NVBFEUDRSA-N 2 1 282.334 2.075 20 0 CEADMP c1cn(C2CC2)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000904350899 635584142 /nfs/dbraw/zinc/58/41/42/635584142.db2.gz SBGYVFNDOQZDJO-GJZGRUSLSA-N 2 1 288.439 2.430 20 0 CEADMP CC(C)(C)CC[C@H](N)C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000904356709 635587717 /nfs/dbraw/zinc/58/77/17/635587717.db2.gz YHQASFKXGRLRGY-ZDUSSCGKSA-N 2 1 255.450 2.119 20 0 CEADMP CC1([NH+]2CCCCC2)CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904384659 635607333 /nfs/dbraw/zinc/60/73/33/635607333.db2.gz LEEYOVQRIBFHQU-GASCZTMLSA-N 2 1 265.445 2.064 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000904406178 635613479 /nfs/dbraw/zinc/61/34/79/635613479.db2.gz SUHVFJDSYUMXML-ZDUSSCGKSA-N 2 1 288.370 2.182 20 0 CEADMP COCCOc1ccccc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904410166 635616894 /nfs/dbraw/zinc/61/68/94/635616894.db2.gz CNZQWYCZORBVRT-LSDHHAIUSA-N 2 1 292.423 2.129 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC000904411730 635619442 /nfs/dbraw/zinc/61/94/42/635619442.db2.gz XHTHUFOOGBRWTN-GDBMZVCRSA-N 2 1 290.455 2.343 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2OCCCO3)CC[C@H]1C[NH3+] ZINC000904412106 635620151 /nfs/dbraw/zinc/62/01/51/635620151.db2.gz PXOFGQFCTXWZSW-KGLIPLIRSA-N 2 1 290.407 2.265 20 0 CEADMP Cc1c[nH]nc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904470733 635647136 /nfs/dbraw/zinc/64/71/36/635647136.db2.gz BMXABJKFSSUBJL-RHSMWYFYSA-N 2 1 298.390 2.064 20 0 CEADMP CC[C@](O)(C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C(F)(F)F ZINC000905056358 635803331 /nfs/dbraw/zinc/80/33/31/635803331.db2.gz YKCIQZOXFGARLZ-PWSUYJOCSA-N 2 1 293.333 2.121 20 0 CEADMP Cc1cccc([C@@H](O)C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000905286890 636210090 /nfs/dbraw/zinc/21/00/90/636210090.db2.gz SVKDMHAGARCGIE-WBVHZDCISA-N 2 1 276.424 2.350 20 0 CEADMP C[N@@H+](CCCn1ccnc1)C[C@]1(O)CCc2ccccc21 ZINC000829365474 636834080 /nfs/dbraw/zinc/83/40/80/636834080.db2.gz GKBRZTXFXAWVMY-QGZVFWFLSA-N 2 1 285.391 2.039 20 0 CEADMP O[C@H](CN1CCCC1)C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000830987461 637210651 /nfs/dbraw/zinc/21/06/51/637210651.db2.gz DRBUTPUPMYKUHV-HZPDHXFCSA-N 2 1 266.429 2.098 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000830987461 637210657 /nfs/dbraw/zinc/21/06/57/637210657.db2.gz DRBUTPUPMYKUHV-HZPDHXFCSA-N 2 1 266.429 2.098 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000830987461 637210661 /nfs/dbraw/zinc/21/06/61/637210661.db2.gz DRBUTPUPMYKUHV-HZPDHXFCSA-N 2 1 266.429 2.098 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000908259102 637277009 /nfs/dbraw/zinc/27/70/09/637277009.db2.gz SNEMGPDPWHOGAP-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908259102 637277015 /nfs/dbraw/zinc/27/70/15/637277015.db2.gz SNEMGPDPWHOGAP-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908259102 637277018 /nfs/dbraw/zinc/27/70/18/637277018.db2.gz SNEMGPDPWHOGAP-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000908964434 637550127 /nfs/dbraw/zinc/55/01/27/637550127.db2.gz KYIZNJUEMPUHKL-UONOGXRCSA-N 2 1 280.437 2.342 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000908964434 637550130 /nfs/dbraw/zinc/55/01/30/637550130.db2.gz KYIZNJUEMPUHKL-UONOGXRCSA-N 2 1 280.437 2.342 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000909077029 637609586 /nfs/dbraw/zinc/60/95/86/637609586.db2.gz ODUNPIMJSLMFOH-ROUUACIJSA-N 2 1 288.435 2.150 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000909077029 637609589 /nfs/dbraw/zinc/60/95/89/637609589.db2.gz ODUNPIMJSLMFOH-ROUUACIJSA-N 2 1 288.435 2.150 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000832618818 637621995 /nfs/dbraw/zinc/62/19/95/637621995.db2.gz CPKXPJXXAMDACP-INIZCTEOSA-N 2 1 291.439 2.315 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[NH+](CC)C[C@@H]2C)C1 ZINC000910269727 637964877 /nfs/dbraw/zinc/96/48/77/637964877.db2.gz DFISVFZPYMKAKV-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@H+](CC)C[C@@H]2C)C1 ZINC000910269727 637964878 /nfs/dbraw/zinc/96/48/78/637964878.db2.gz DFISVFZPYMKAKV-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@@H+](CC)C[C@@H]2C)C1 ZINC000910269727 637964882 /nfs/dbraw/zinc/96/48/82/637964882.db2.gz DFISVFZPYMKAKV-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000834908255 637984814 /nfs/dbraw/zinc/98/48/14/637984814.db2.gz CUZWBJQXJGIXML-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000834908255 637984819 /nfs/dbraw/zinc/98/48/19/637984819.db2.gz CUZWBJQXJGIXML-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1ccc(F)nc1)C1CC1 ZINC000835063120 638044285 /nfs/dbraw/zinc/04/42/85/638044285.db2.gz HISLJLCIYORXTB-UHFFFAOYSA-N 2 1 251.349 2.185 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000912296666 638634978 /nfs/dbraw/zinc/63/49/78/638634978.db2.gz MTJRVLIQLFQJNB-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000912296666 638634981 /nfs/dbraw/zinc/63/49/81/638634981.db2.gz MTJRVLIQLFQJNB-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000912296666 638634984 /nfs/dbraw/zinc/63/49/84/638634984.db2.gz MTJRVLIQLFQJNB-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC000991620063 639508348 /nfs/dbraw/zinc/50/83/48/639508348.db2.gz FSDARAHEYLEHPH-WBVHZDCISA-N 2 1 298.390 2.081 20 0 CEADMP Cc1ccc2c(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)cc(=O)oc2c1 ZINC000228077095 639614329 /nfs/dbraw/zinc/61/43/29/639614329.db2.gz KRNDHBUOCZACKE-OLZOCXBDSA-N 2 1 286.375 2.271 20 0 CEADMP CC1(C)Cc2cc(C[NH2+][C@@H](C[NH3+])C3CC3)ccc2O1 ZINC000841027931 639620418 /nfs/dbraw/zinc/62/04/18/639620418.db2.gz GQSTUAKMANAQHH-AWEZNQCLSA-N 2 1 260.381 2.227 20 0 CEADMP Cc1ccc2c(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)cc(=O)oc2c1 ZINC000228159429 639622062 /nfs/dbraw/zinc/62/20/62/639622062.db2.gz MEQFWLYTGUEHQA-STQMWFEESA-N 2 1 286.375 2.271 20 0 CEADMP CCCCn1nc(C)c(C[NH2+][C@H](C)CC[NH3+])c1Cl ZINC000841049995 639633333 /nfs/dbraw/zinc/63/33/33/639633333.db2.gz BMHQNOGCOZGEGR-SNVBAGLBSA-N 2 1 272.824 2.472 20 0 CEADMP C[C@H](C[NH2+]C[C@@H](O)c1c(F)cccc1F)C[NH+]1CCCC1 ZINC000062071668 639735441 /nfs/dbraw/zinc/73/54/41/639735441.db2.gz BIYWAGJORUUMTF-IUODEOHRSA-N 2 1 298.377 2.320 20 0 CEADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CC1(C)CCCC1 ZINC000876996395 650523894 /nfs/dbraw/zinc/52/38/94/650523894.db2.gz SIGLCRUZBPNWIB-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CC1(C)CCCC1 ZINC000876996395 650523896 /nfs/dbraw/zinc/52/38/96/650523896.db2.gz SIGLCRUZBPNWIB-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000842471827 640070792 /nfs/dbraw/zinc/07/07/92/640070792.db2.gz BSYZUPNTRZWJKL-VXGBXAGGSA-N 2 1 282.350 2.283 20 0 CEADMP CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCCCCCC[NH3+])[C@H]2C1 ZINC000842476378 640077163 /nfs/dbraw/zinc/07/71/63/640077163.db2.gz NDDGKZGRWZBCER-PMPSAXMXSA-N 2 1 284.444 2.164 20 0 CEADMP COC[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC000929783423 640196327 /nfs/dbraw/zinc/19/63/27/640196327.db2.gz RIJHGVZMSGZVAZ-KKUMJFAQSA-N 2 1 256.434 2.320 20 0 CEADMP COC[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC000929783423 640196329 /nfs/dbraw/zinc/19/63/29/640196329.db2.gz RIJHGVZMSGZVAZ-KKUMJFAQSA-N 2 1 256.434 2.320 20 0 CEADMP COC[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000929783423 640196330 /nfs/dbraw/zinc/19/63/30/640196330.db2.gz RIJHGVZMSGZVAZ-KKUMJFAQSA-N 2 1 256.434 2.320 20 0 CEADMP COC[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000929783423 640196333 /nfs/dbraw/zinc/19/63/33/640196333.db2.gz RIJHGVZMSGZVAZ-KKUMJFAQSA-N 2 1 256.434 2.320 20 0 CEADMP Cc1cc(C[N@H+](C)C2CCC([NH3+])CC2)ccc1-n1cncn1 ZINC000843056079 640258612 /nfs/dbraw/zinc/25/86/12/640258612.db2.gz XUPQRIGBOSZYLX-UHFFFAOYSA-N 2 1 299.422 2.277 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H](CCC[NH3+])c2ccccc2)CC[NH2+]1 ZINC000843126030 640292289 /nfs/dbraw/zinc/29/22/89/640292289.db2.gz MLGFKHMHPOUPSO-VNQPRFMTSA-N 2 1 261.413 2.197 20 0 CEADMP CC(C)([NH3+])C[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000843126873 640293039 /nfs/dbraw/zinc/29/30/39/640293039.db2.gz XJCMLICNYGCLDY-HNNXBMFYSA-N 2 1 258.365 2.200 20 0 CEADMP CC[C@H]([NH3+])c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000843178706 640330321 /nfs/dbraw/zinc/33/03/21/640330321.db2.gz XQBCBBTUZDCWTM-ZDUSSCGKSA-N 2 1 290.367 2.087 20 0 CEADMP CN(C)C(=O)c1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843355683 640401524 /nfs/dbraw/zinc/40/15/24/640401524.db2.gz TWKHDFHWECTYHJ-UHFFFAOYSA-N 2 1 289.423 2.090 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843387313 640413207 /nfs/dbraw/zinc/41/32/07/640413207.db2.gz GHLLQMJUIBGQMM-CABCVRRESA-N 2 1 282.428 2.041 20 0 CEADMP CC[N@@H+](Cc1ccccc1C)C[C@H](O)CN1CCCC1 ZINC000915057970 640506341 /nfs/dbraw/zinc/50/63/41/640506341.db2.gz OHWDHFGAWJXPDJ-KRWDZBQOSA-N 2 1 276.424 2.274 20 0 CEADMP CC[N@@H+](Cc1ccccc1C)C[C@H](O)C[NH+]1CCCC1 ZINC000915057970 640506345 /nfs/dbraw/zinc/50/63/45/640506345.db2.gz OHWDHFGAWJXPDJ-KRWDZBQOSA-N 2 1 276.424 2.274 20 0 CEADMP CC[N@H+](Cc1ccccc1C)C[C@H](O)C[NH+]1CCCC1 ZINC000915057970 640506347 /nfs/dbraw/zinc/50/63/47/640506347.db2.gz OHWDHFGAWJXPDJ-KRWDZBQOSA-N 2 1 276.424 2.274 20 0 CEADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)CC[N@H+]1C ZINC000843811990 640532143 /nfs/dbraw/zinc/53/21/43/640532143.db2.gz FGXHNCFDQVLVNE-BXUZGUMPSA-N 2 1 293.386 2.166 20 0 CEADMP O[C@@H](CN1CCCC1)C[N@@H+](C1CC1)C1CCCCC1 ZINC000915686057 640601722 /nfs/dbraw/zinc/60/17/22/640601722.db2.gz JVYKAJSNVQPOAE-INIZCTEOSA-N 2 1 266.429 2.240 20 0 CEADMP O[C@H](C[N@H+](C1CC1)C1CCCCC1)C[NH+]1CCCC1 ZINC000915686057 640601723 /nfs/dbraw/zinc/60/17/23/640601723.db2.gz JVYKAJSNVQPOAE-INIZCTEOSA-N 2 1 266.429 2.240 20 0 CEADMP O[C@H](C[N@@H+](C1CC1)C1CCCCC1)C[NH+]1CCCC1 ZINC000915686057 640601726 /nfs/dbraw/zinc/60/17/26/640601726.db2.gz JVYKAJSNVQPOAE-INIZCTEOSA-N 2 1 266.429 2.240 20 0 CEADMP Cc1ccc([C@@H](C)[N@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000915688951 640601809 /nfs/dbraw/zinc/60/18/09/640601809.db2.gz AFGCRINVOIACBN-NVXWUHKLSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000915688951 640601814 /nfs/dbraw/zinc/60/18/14/640601814.db2.gz AFGCRINVOIACBN-NVXWUHKLSA-N 2 1 276.424 2.445 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993927315 640685612 /nfs/dbraw/zinc/68/56/12/640685612.db2.gz LJJPMSNGDDNGJP-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C[NH+]1CCCC1 ZINC000925481445 641179589 /nfs/dbraw/zinc/17/95/89/641179589.db2.gz PUZACUXEYRJAJE-XUWVNRHRSA-N 3 1 279.472 2.085 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C/C=C/Cl)C1 ZINC000846229319 641235753 /nfs/dbraw/zinc/23/57/53/641235753.db2.gz SRKKRMMUQJHHQL-WGMPRBPKSA-N 2 1 258.793 2.100 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000877266634 650647168 /nfs/dbraw/zinc/64/71/68/650647168.db2.gz SZJPFJYAHKYTLQ-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995915772 642081717 /nfs/dbraw/zinc/08/17/17/642081717.db2.gz GQQDRBWUIYCIFL-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000996746520 642133232 /nfs/dbraw/zinc/13/32/32/642133232.db2.gz AIEWROTWZMJILX-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000921525146 642191205 /nfs/dbraw/zinc/19/12/05/642191205.db2.gz VMVNFEBHTHQMGX-AWEZNQCLSA-N 2 1 292.423 2.068 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=[NH2+])N1CCCCCC1 ZINC000848987586 642209955 /nfs/dbraw/zinc/20/99/55/642209955.db2.gz IUZGJYWLIORIDQ-UHFFFAOYSA-N 2 1 254.422 2.117 20 0 CEADMP CC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000848988047 642209987 /nfs/dbraw/zinc/20/99/87/642209987.db2.gz BAHVDSPJNJVWNR-HZSPNIEDSA-N 2 1 268.449 2.267 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])NC2CCC2)C1 ZINC000848997189 642216995 /nfs/dbraw/zinc/21/69/95/642216995.db2.gz HNQKOQSBYWQSHY-GFCCVEGCSA-N 2 1 266.433 2.163 20 0 CEADMP CN1CCC[NH+]=C1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000849007053 642223463 /nfs/dbraw/zinc/22/34/63/642223463.db2.gz WZHGONGYBYZPAZ-INIZCTEOSA-N 2 1 292.471 2.312 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000849013922 642229635 /nfs/dbraw/zinc/22/96/35/642229635.db2.gz RKACHFCLTNAWRB-ZDUSSCGKSA-N 2 1 266.433 2.021 20 0 CEADMP CCCCNC(=[NH2+])NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000849024226 642237206 /nfs/dbraw/zinc/23/72/06/642237206.db2.gz ROOPNVPXTSEMDU-GFCCVEGCSA-N 2 1 254.422 2.021 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC(C)(C)COC ZINC000849028444 642241302 /nfs/dbraw/zinc/24/13/02/642241302.db2.gz KKHXBUFRFHLKPZ-CQSZACIVSA-N 2 1 298.475 2.037 20 0 CEADMP CC[C@@H]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849035408 642246967 /nfs/dbraw/zinc/24/69/67/642246967.db2.gz FOKGYJASMZISTK-RBSFLKMASA-N 2 1 280.460 2.411 20 0 CEADMP CC1(C)CCC[N@H+]1CCNC(=[NH2+])NCCc1cccs1 ZINC000849038951 642249924 /nfs/dbraw/zinc/24/99/24/642249924.db2.gz AFIRRFALGIAROB-UHFFFAOYSA-N 2 1 294.468 2.279 20 0 CEADMP CCCCC[N@H+](CCNC(=[NH2+])NC)Cc1ccccc1 ZINC000849046397 642255637 /nfs/dbraw/zinc/25/56/37/642255637.db2.gz FNPQWJNJZLOZTJ-UHFFFAOYSA-N 2 1 276.428 2.423 20 0 CEADMP CCCCC[N@@H+](CCNC(=[NH2+])NC)Cc1ccccc1 ZINC000849046397 642255639 /nfs/dbraw/zinc/25/56/39/642255639.db2.gz FNPQWJNJZLOZTJ-UHFFFAOYSA-N 2 1 276.428 2.423 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC(C)C)C1 ZINC000998871640 642444268 /nfs/dbraw/zinc/44/42/68/642444268.db2.gz FKLHLMSXFHDHMW-UYSNPLJNSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999137489 642463078 /nfs/dbraw/zinc/46/30/78/642463078.db2.gz NIWBNFKCTJSYHD-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000921689530 642533908 /nfs/dbraw/zinc/53/39/08/642533908.db2.gz FXMOGKIWOWOHHM-ZQDZILKHSA-N 2 1 284.469 2.113 20 0 CEADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000921689530 642533910 /nfs/dbraw/zinc/53/39/10/642533910.db2.gz FXMOGKIWOWOHHM-ZQDZILKHSA-N 2 1 284.469 2.113 20 0 CEADMP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000374700 642594951 /nfs/dbraw/zinc/59/49/51/642594951.db2.gz XFLMDHSAEYIUQD-JKSUJKDBSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001000663626 642638238 /nfs/dbraw/zinc/63/82/38/642638238.db2.gz WNPQTLSYGCXKKF-MRXNPFEDSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001000663626 642638241 /nfs/dbraw/zinc/63/82/41/642638241.db2.gz WNPQTLSYGCXKKF-MRXNPFEDSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001000663626 642638246 /nfs/dbraw/zinc/63/82/46/642638246.db2.gz WNPQTLSYGCXKKF-MRXNPFEDSA-N 2 1 293.455 2.018 20 0 CEADMP FC1(F)[C@@H]2CCCO[C@@]21C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000850379566 642691074 /nfs/dbraw/zinc/69/10/74/642691074.db2.gz BJTBEDVDANNZSR-SYQHCUMBSA-N 2 1 286.366 2.017 20 0 CEADMP FC1(F)[C@@H]2CCCO[C@@]21C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000850379566 642691079 /nfs/dbraw/zinc/69/10/79/642691079.db2.gz BJTBEDVDANNZSR-SYQHCUMBSA-N 2 1 286.366 2.017 20 0 CEADMP C([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCOC1 ZINC000850382418 642692281 /nfs/dbraw/zinc/69/22/81/642692281.db2.gz RIGUDOXJXVBFPD-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCOC1 ZINC000850382418 642692283 /nfs/dbraw/zinc/69/22/83/642692283.db2.gz RIGUDOXJXVBFPD-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCOC2(C)C)s1 ZINC000850409709 642703915 /nfs/dbraw/zinc/70/39/15/642703915.db2.gz YVTGHRQYVACPIV-NSHDSACASA-N 2 1 283.441 2.109 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)c3ccccc32)CC1 ZINC000850529395 642743476 /nfs/dbraw/zinc/74/34/76/642743476.db2.gz PZWOEFCYMUFOEH-HZPDHXFCSA-N 2 1 260.381 2.239 20 0 CEADMP c1n[nH]c2c1[C@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)CCC2 ZINC000850584438 642758625 /nfs/dbraw/zinc/75/86/25/642758625.db2.gz RUAHOKKBOAQXEL-MRXNPFEDSA-N 2 1 288.439 2.499 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCC(C)(C)C)CC1 ZINC001002473348 642790311 /nfs/dbraw/zinc/79/03/11/642790311.db2.gz DTWPOGZTFLSODW-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1cnn(C3CCC3)c1)C2 ZINC000922026592 642846768 /nfs/dbraw/zinc/84/67/68/642846768.db2.gz UHALFMAPUVOYAT-CYBMUJFWSA-N 2 1 285.395 2.157 20 0 CEADMP Cc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)o1 ZINC000922385775 643057577 /nfs/dbraw/zinc/05/75/77/643057577.db2.gz DBPCZEBQWUSIDF-WCXIOVBPSA-N 2 1 292.423 2.157 20 0 CEADMP CC[C@](C)(CC(=O)OC)[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000851852466 643191184 /nfs/dbraw/zinc/19/11/84/643191184.db2.gz DACZCLJABISVIH-IJEWVQPXSA-N 2 1 284.444 2.286 20 0 CEADMP CC[C@](C)(CC(=O)OC)[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000851852466 643191190 /nfs/dbraw/zinc/19/11/90/643191190.db2.gz DACZCLJABISVIH-IJEWVQPXSA-N 2 1 284.444 2.286 20 0 CEADMP FC(F)OCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000851860232 643196022 /nfs/dbraw/zinc/19/60/22/643196022.db2.gz HZNCJLOWLVITBF-WCQYABFASA-N 2 1 274.355 2.174 20 0 CEADMP FC(F)OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000851860232 643196024 /nfs/dbraw/zinc/19/60/24/643196024.db2.gz HZNCJLOWLVITBF-WCQYABFASA-N 2 1 274.355 2.174 20 0 CEADMP FC(F)OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000851860232 643196029 /nfs/dbraw/zinc/19/60/29/643196029.db2.gz HZNCJLOWLVITBF-WCQYABFASA-N 2 1 274.355 2.174 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922732283 643236393 /nfs/dbraw/zinc/23/63/93/643236393.db2.gz TXWXLQRDHNZWJW-IRCOFANPSA-N 2 1 262.319 2.401 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852754293 643538271 /nfs/dbraw/zinc/53/82/71/643538271.db2.gz SJAPUDBNSMEKRU-INIZCTEOSA-N 2 1 296.455 2.431 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCOc2ccc(O)cc2C1 ZINC000852760911 643541696 /nfs/dbraw/zinc/54/16/96/643541696.db2.gz OGXSQJOWODTWCU-UHFFFAOYSA-N 2 1 264.369 2.106 20 0 CEADMP CC(C)C[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001005992096 643613140 /nfs/dbraw/zinc/61/31/40/643613140.db2.gz SKRRNUMQCPWBJL-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC3SCCS3)C[C@@H]21 ZINC000853023072 643624272 /nfs/dbraw/zinc/62/42/72/643624272.db2.gz MOAMGKBAUYOVIM-GRYCIOLGSA-N 2 1 272.483 2.242 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000923294067 643646031 /nfs/dbraw/zinc/64/60/31/643646031.db2.gz FQKFCSHRJLSCKS-LSDHHAIUSA-N 2 1 286.366 2.303 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000923294067 643646037 /nfs/dbraw/zinc/64/60/37/643646037.db2.gz FQKFCSHRJLSCKS-LSDHHAIUSA-N 2 1 286.366 2.303 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000923294134 643646282 /nfs/dbraw/zinc/64/62/82/643646282.db2.gz HLHRGRUWXSPWQI-HUUCEWRRSA-N 2 1 286.366 2.303 20 0 CEADMP CC(C)[N@H+](Cc1cccc(F)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303311 643650103 /nfs/dbraw/zinc/65/01/03/643650103.db2.gz KPCYMKHOVWLVOV-MRXNPFEDSA-N 2 1 292.398 2.415 20 0 CEADMP Cc1cccc(OCC[N@H+](C)CCC[NH2+]C2CC2)c1 ZINC000923302667 643650442 /nfs/dbraw/zinc/65/04/42/643650442.db2.gz ZTYGCBXPLDFNAY-UHFFFAOYSA-N 2 1 262.397 2.448 20 0 CEADMP Cc1cccc(OCC[N@@H+](C)CCC[NH2+]C2CC2)c1 ZINC000923302667 643650445 /nfs/dbraw/zinc/65/04/45/643650445.db2.gz ZTYGCBXPLDFNAY-UHFFFAOYSA-N 2 1 262.397 2.448 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316682 643655705 /nfs/dbraw/zinc/65/57/05/643655705.db2.gz QZUNVVBPODCXBA-RRFJBIMHSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C ZINC000923324757 643663761 /nfs/dbraw/zinc/66/37/61/643663761.db2.gz KDPDMYYJYXSOOJ-UCHQMPSGSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC000923324757 643663763 /nfs/dbraw/zinc/66/37/63/643663763.db2.gz KDPDMYYJYXSOOJ-UCHQMPSGSA-N 3 1 279.472 2.322 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1C ZINC000923324757 643663765 /nfs/dbraw/zinc/66/37/65/643663765.db2.gz KDPDMYYJYXSOOJ-UCHQMPSGSA-N 3 1 279.472 2.322 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH+]1C ZINC000923324757 643663769 /nfs/dbraw/zinc/66/37/69/643663769.db2.gz KDPDMYYJYXSOOJ-UCHQMPSGSA-N 3 1 279.472 2.322 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH+]1C ZINC000923324757 643663773 /nfs/dbraw/zinc/66/37/73/643663773.db2.gz KDPDMYYJYXSOOJ-UCHQMPSGSA-N 3 1 279.472 2.322 20 0 CEADMP CC[C@@H]1C[N@@H+](CCc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000923344208 643675152 /nfs/dbraw/zinc/67/51/52/643675152.db2.gz DVLUGVQSKNMHSG-HIFRSBDPSA-N 2 1 250.361 2.427 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000923347148 643676411 /nfs/dbraw/zinc/67/64/11/643676411.db2.gz YLEAAHLQPWFLMO-KKUMJFAQSA-N 2 1 256.434 2.377 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923363491 643679634 /nfs/dbraw/zinc/67/96/34/643679634.db2.gz BVCNGDFVNYFDEM-OWCLPIDISA-N 2 1 268.445 2.248 20 0 CEADMP CCCCCC[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366912 643681670 /nfs/dbraw/zinc/68/16/70/643681670.db2.gz PVRXDFKTSYEERW-HZPDHXFCSA-N 2 1 268.445 2.393 20 0 CEADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923368796 643681783 /nfs/dbraw/zinc/68/17/83/643681783.db2.gz TVUCSCBPOQJFLM-CABCVRRESA-N 2 1 294.439 2.006 20 0 CEADMP CCc1ncc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])o1 ZINC000923386965 643692827 /nfs/dbraw/zinc/69/28/27/643692827.db2.gz MBQAXFPKWONPQP-DGCLKSJQSA-N 2 1 251.374 2.186 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])o1 ZINC000923386965 643692830 /nfs/dbraw/zinc/69/28/30/643692830.db2.gz MBQAXFPKWONPQP-DGCLKSJQSA-N 2 1 251.374 2.186 20 0 CEADMP C(C1CCC1)[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923394539 643694907 /nfs/dbraw/zinc/69/49/07/643694907.db2.gz CXGZKWUATRZGDH-HOTGVXAUSA-N 2 1 278.440 2.410 20 0 CEADMP CCCCCC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923398511 643697016 /nfs/dbraw/zinc/69/70/16/643697016.db2.gz KRFYYCIXBZETKB-KGLIPLIRSA-N 2 1 254.418 2.192 20 0 CEADMP COCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCOCC1 ZINC000923415990 643698912 /nfs/dbraw/zinc/69/89/12/643698912.db2.gz YFWWCSKXZBBORQ-MQVJKMGUSA-N 2 1 296.455 2.035 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](CCc2cccc(F)c2)C[C@@H]1C(F)(F)F ZINC000923426766 643705879 /nfs/dbraw/zinc/70/58/79/643705879.db2.gz QKNCUPYJIOESHL-YPMHNXCESA-N 2 1 290.304 2.437 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCc2cccc(F)c2)C[C@@H]1C(F)(F)F ZINC000923426766 643705881 /nfs/dbraw/zinc/70/58/81/643705881.db2.gz QKNCUPYJIOESHL-YPMHNXCESA-N 2 1 290.304 2.437 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000923428786 643707428 /nfs/dbraw/zinc/70/74/28/643707428.db2.gz RNKQXXBRTMWHIY-MSOLQXFVSA-N 2 1 288.435 2.494 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000923479827 643730622 /nfs/dbraw/zinc/73/06/22/643730622.db2.gz DENKJIXUBWKGJQ-LLVKDONJSA-N 2 1 290.342 2.046 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923478865 643730789 /nfs/dbraw/zinc/73/07/89/643730789.db2.gz IGMOORPYIIUFPP-DNVCBOLYSA-N 2 1 298.430 2.414 20 0 CEADMP CCn1c2cccc(F)c2nc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923482417 643732230 /nfs/dbraw/zinc/73/22/30/643732230.db2.gz FKOMJYPCKLLIKN-GFCCVEGCSA-N 2 1 290.386 2.366 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(C)s1 ZINC000923496306 643734076 /nfs/dbraw/zinc/73/40/76/643734076.db2.gz HHICJJFEZYFAHI-PWSUYJOCSA-N 2 1 296.436 2.260 20 0 CEADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923486290 643734446 /nfs/dbraw/zinc/73/44/46/643734446.db2.gz DZBHCTOPENMJOQ-STQMWFEESA-N 2 1 286.379 2.468 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)C1CCCCC1 ZINC000923490600 643736063 /nfs/dbraw/zinc/73/60/63/643736063.db2.gz OINKACPTSQOHHF-CWRNSKLLSA-N 2 1 268.445 2.498 20 0 CEADMP C[C@@H]1C[N@H+](Cc2coc(C(C)(C)C)n2)CC[C@H]1C[NH3+] ZINC000923494655 643738434 /nfs/dbraw/zinc/73/84/34/643738434.db2.gz ZNZOTKYSMFDPHR-NEPJUHHUSA-N 2 1 265.401 2.389 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2coc(C(C)(C)C)n2)CC[C@H]1C[NH3+] ZINC000923494655 643738438 /nfs/dbraw/zinc/73/84/38/643738438.db2.gz ZNZOTKYSMFDPHR-NEPJUHHUSA-N 2 1 265.401 2.389 20 0 CEADMP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501000 643741853 /nfs/dbraw/zinc/74/18/53/643741853.db2.gz QLZPOLPBPLGAAF-UPJWGTAASA-N 2 1 293.386 2.069 20 0 CEADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2F)CC[C@H]1C[NH3+] ZINC000923500950 643742311 /nfs/dbraw/zinc/74/23/11/643742311.db2.gz SJVTXCFFRWJCAV-STQMWFEESA-N 2 1 293.386 2.071 20 0 CEADMP CCN(C(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)C1CCCCC1 ZINC000923510921 643745930 /nfs/dbraw/zinc/74/59/30/643745930.db2.gz YASHCXBXCRWJOL-GJZGRUSLSA-N 2 1 295.471 2.084 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503614 643746319 /nfs/dbraw/zinc/74/63/19/643746319.db2.gz JPRWUFNYVRZFNT-CVEARBPZSA-N 2 1 297.487 2.044 20 0 CEADMP C[C@H]1CCCC[C@H]1OCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520350 643748257 /nfs/dbraw/zinc/74/82/57/643748257.db2.gz WLJDDCLTSRKKHJ-CAOSSQGBSA-N 2 1 266.429 2.123 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C1CCC1 ZINC000923532805 643753990 /nfs/dbraw/zinc/75/39/90/643753990.db2.gz HFPBOCAHDQAFAN-HUUCEWRRSA-N 2 1 252.402 2.020 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C1CCC1 ZINC000923532805 643754010 /nfs/dbraw/zinc/75/40/10/643754010.db2.gz HFPBOCAHDQAFAN-HUUCEWRRSA-N 2 1 252.402 2.020 20 0 CEADMP c1ccc(CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000923556868 643763839 /nfs/dbraw/zinc/76/38/39/643763839.db2.gz YSTCCVSNGOSIDS-QGZVFWFLSA-N 2 1 286.419 2.215 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CONC(=[NH2+])C1CCOCC1 ZINC000853667896 643855649 /nfs/dbraw/zinc/85/56/49/643855649.db2.gz QGJDEWXGDTWIMX-AWEZNQCLSA-N 2 1 283.416 2.174 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C1CC1 ZINC000838934922 644091011 /nfs/dbraw/zinc/09/10/11/644091011.db2.gz BUAJJBJHIARZOL-JLSDUUJJSA-N 2 1 288.435 2.258 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839183127 644182196 /nfs/dbraw/zinc/18/21/96/644182196.db2.gz UJXIPJZYPQIXOR-CQSZACIVSA-N 2 1 284.444 2.287 20 0 CEADMP CO[C@@]1(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)CCOC1 ZINC000877767839 650903374 /nfs/dbraw/zinc/90/33/74/650903374.db2.gz WXIQKPSKKOWNTO-QGZVFWFLSA-N 2 1 298.471 2.092 20 0 CEADMP CC(C)C[N@H+](Cc1ccon1)CC1CC[NH+](C)CC1 ZINC000877767195 650903423 /nfs/dbraw/zinc/90/34/23/650903423.db2.gz BVXJIAKTTBYPEF-UHFFFAOYSA-N 2 1 265.401 2.474 20 0 CEADMP CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856599272 644697013 /nfs/dbraw/zinc/69/70/13/644697013.db2.gz HCDDYBBBHVJDGK-MRXNPFEDSA-N 2 1 277.412 2.395 20 0 CEADMP CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856599272 644697017 /nfs/dbraw/zinc/69/70/17/644697017.db2.gz HCDDYBBBHVJDGK-MRXNPFEDSA-N 2 1 277.412 2.395 20 0 CEADMP CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856599272 644697021 /nfs/dbraw/zinc/69/70/21/644697021.db2.gz HCDDYBBBHVJDGK-MRXNPFEDSA-N 2 1 277.412 2.395 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@H]2CC2(F)F)s1 ZINC000856802900 644729672 /nfs/dbraw/zinc/72/96/72/644729672.db2.gz TVUXGIKZYYOEPT-VIFPVBQESA-N 2 1 275.368 2.340 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857252950 644870773 /nfs/dbraw/zinc/87/07/73/644870773.db2.gz GBYJSOZZOKUTCT-UTLUCORTSA-N 2 1 251.201 2.158 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000857783022 644967791 /nfs/dbraw/zinc/96/77/91/644967791.db2.gz PKTGWIJHBQUYOC-UHFFFAOYSA-N 2 1 285.178 2.454 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)CC1(C)C ZINC000858094237 645059507 /nfs/dbraw/zinc/05/95/07/645059507.db2.gz FAXKYADSLMOIKG-HNNXBMFYSA-N 2 1 299.422 2.230 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)CC1(C)C ZINC000858094237 645059511 /nfs/dbraw/zinc/05/95/11/645059511.db2.gz FAXKYADSLMOIKG-HNNXBMFYSA-N 2 1 299.422 2.230 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccnc(F)c1 ZINC000858125422 645068934 /nfs/dbraw/zinc/06/89/34/645068934.db2.gz DEULXTJWHPXKDB-LLVKDONJSA-N 2 1 262.332 2.152 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(F)(F)F ZINC000858136701 645072016 /nfs/dbraw/zinc/07/20/16/645072016.db2.gz YRDWYANOGSNEMM-NXEZZACHSA-N 2 1 268.323 2.026 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(F)(F)F ZINC000858136701 645072020 /nfs/dbraw/zinc/07/20/20/645072020.db2.gz YRDWYANOGSNEMM-NXEZZACHSA-N 2 1 268.323 2.026 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@]2(O)CCc3ccccc32)CC1(C)C ZINC000858153412 645076350 /nfs/dbraw/zinc/07/63/50/645076350.db2.gz LIZWXEXIUISBGS-CRAIPNDOSA-N 2 1 288.435 2.283 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)CC1(C)C ZINC000858189088 645083839 /nfs/dbraw/zinc/08/38/39/645083839.db2.gz DYQFTAOOTQFWIO-OLZOCXBDSA-N 2 1 252.402 2.160 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858245798 645098122 /nfs/dbraw/zinc/09/81/22/645098122.db2.gz OBJBWWRSSAXLOW-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000858245798 645098127 /nfs/dbraw/zinc/09/81/27/645098127.db2.gz OBJBWWRSSAXLOW-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP ClC1(Cl)C[C@H]1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000760956695 645217093 /nfs/dbraw/zinc/21/70/93/645217093.db2.gz VZJRRXWZODMRLS-NSHDSACASA-N 2 1 286.206 2.397 20 0 CEADMP Cn1nccc1CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213117 645421997 /nfs/dbraw/zinc/42/19/97/645421997.db2.gz RPUJJNHBHHWRGD-UHFFFAOYSA-N 2 1 286.423 2.156 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@@H](O)C(C)C)C1 ZINC000878148534 651013500 /nfs/dbraw/zinc/01/35/00/651013500.db2.gz ORORZYUPBBGAHH-HUUCEWRRSA-N 2 1 256.434 2.057 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878159831 651018387 /nfs/dbraw/zinc/01/83/87/651018387.db2.gz XFSFOCJEQFZAEQ-SOUVJXGZSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878159831 651018390 /nfs/dbraw/zinc/01/83/90/651018390.db2.gz XFSFOCJEQFZAEQ-SOUVJXGZSA-N 2 1 254.418 2.075 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000878166850 651022105 /nfs/dbraw/zinc/02/21/05/651022105.db2.gz HQCMOZXEHFMLMU-VGWMRTNUSA-N 2 1 266.429 2.218 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000878166850 651022109 /nfs/dbraw/zinc/02/21/09/651022109.db2.gz HQCMOZXEHFMLMU-VGWMRTNUSA-N 2 1 266.429 2.218 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000878166850 651022112 /nfs/dbraw/zinc/02/21/12/651022112.db2.gz HQCMOZXEHFMLMU-VGWMRTNUSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)CC[N@H+]1C ZINC000765262511 645750029 /nfs/dbraw/zinc/75/00/29/645750029.db2.gz XDNFRHQXOFRULT-BYCMXARLSA-N 2 1 282.815 2.446 20 0 CEADMP C[C@H](C[C@H]1CCOC1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000765405340 645764057 /nfs/dbraw/zinc/76/40/57/645764057.db2.gz IXWKUZPTOVUOAB-WCXIOVBPSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)[C@H](O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878287112 651053845 /nfs/dbraw/zinc/05/38/45/651053845.db2.gz WUHNFDGEOTVZGB-HYVNUMGLSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@H](O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878287112 651053848 /nfs/dbraw/zinc/05/38/48/651053848.db2.gz WUHNFDGEOTVZGB-HYVNUMGLSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@H](O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878287112 651053851 /nfs/dbraw/zinc/05/38/51/651053851.db2.gz WUHNFDGEOTVZGB-HYVNUMGLSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@H](O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878287112 651053855 /nfs/dbraw/zinc/05/38/55/651053855.db2.gz WUHNFDGEOTVZGB-HYVNUMGLSA-N 2 1 280.456 2.342 20 0 CEADMP COC[C@H](C)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769534049 646283550 /nfs/dbraw/zinc/28/35/50/646283550.db2.gz QYPOOBZTYMGOBW-CQSZACIVSA-N 2 1 264.413 2.463 20 0 CEADMP CC[C@H]1C[C@@H](C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCO1 ZINC000863650933 646777305 /nfs/dbraw/zinc/77/73/05/646777305.db2.gz FIGATEHIHWPAIX-YHUYYLMFSA-N 2 1 266.429 2.123 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774269732 646827673 /nfs/dbraw/zinc/82/76/73/646827673.db2.gz BBQINZSSMGSPHQ-VAQLIOGMSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H](CNC(=[NH2+])NCCC1CC1)[N@H+]1CCC[C@H](C)C1 ZINC000864452809 647009639 /nfs/dbraw/zinc/00/96/39/647009639.db2.gz JVZIZNBEXZPEMS-QWHCGFSZSA-N 2 1 266.433 2.021 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865448371 647298224 /nfs/dbraw/zinc/29/82/24/647298224.db2.gz GGILHUBXAAXRLB-LBPRGKRZSA-N 2 1 273.384 2.149 20 0 CEADMP C[C@H](CCO)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000779340120 647313529 /nfs/dbraw/zinc/31/35/29/647313529.db2.gz GRTOJPDQUMWSRD-QLFBSQMISA-N 2 1 256.434 2.105 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)CCCC2 ZINC000865483273 647319426 /nfs/dbraw/zinc/31/94/26/647319426.db2.gz HGANNMWLWWAWSY-ZIAGYGMSSA-N 2 1 290.455 2.261 20 0 CEADMP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2C(F)(F)F)CC[N@H+]1C ZINC000865557948 647360074 /nfs/dbraw/zinc/36/00/74/647360074.db2.gz OCUCNXYCZCITJJ-ZJUUUORDSA-N 2 1 273.302 2.417 20 0 CEADMP C[N@@H+]1CCN(CC[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000781216442 647509325 /nfs/dbraw/zinc/50/93/25/647509325.db2.gz YPEVWYWPIRADTH-QGZVFWFLSA-N 2 1 273.424 2.071 20 0 CEADMP C[N@H+]1CCN(CC[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000781216442 647509327 /nfs/dbraw/zinc/50/93/27/647509327.db2.gz YPEVWYWPIRADTH-QGZVFWFLSA-N 2 1 273.424 2.071 20 0 CEADMP Cc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(C)o1 ZINC000120791175 647513506 /nfs/dbraw/zinc/51/35/06/647513506.db2.gz URXMLMRLQVRANH-OAHLLOKOSA-N 2 1 292.423 2.487 20 0 CEADMP C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781416602 647525330 /nfs/dbraw/zinc/52/53/30/647525330.db2.gz LCCAAAALVSURDN-KBPBESRZSA-N 2 1 276.428 2.163 20 0 CEADMP C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781416602 647525334 /nfs/dbraw/zinc/52/53/34/647525334.db2.gz LCCAAAALVSURDN-KBPBESRZSA-N 2 1 276.428 2.163 20 0 CEADMP Cc1cc(N2CCC3(CC2)CC[NH+](C)CC3)nc(C)[nH+]1 ZINC000866054517 647590308 /nfs/dbraw/zinc/59/03/08/647590308.db2.gz DOWULFIDRNJQTP-UHFFFAOYSA-N 2 1 274.412 2.406 20 0 CEADMP C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000783220403 647695381 /nfs/dbraw/zinc/69/53/81/647695381.db2.gz DTHSZWDXESBHME-CRAIPNDOSA-N 2 1 287.451 2.322 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000783865324 647772756 /nfs/dbraw/zinc/77/27/56/647772756.db2.gz CNVFFRCKNXTPDE-UHFFFAOYSA-N 2 1 297.487 2.441 20 0 CEADMP C[C@H]1C[N@H+](CCN2c3ccccc3[C@H]([NH3+])C2(C)C)CCO1 ZINC000866701529 647874097 /nfs/dbraw/zinc/87/40/97/647874097.db2.gz LONOUZMJXZAIPH-BBRMVZONSA-N 2 1 289.423 2.006 20 0 CEADMP C[C@H]1C[N@@H+](CCN2c3ccccc3[C@H]([NH3+])C2(C)C)CCO1 ZINC000866701529 647874098 /nfs/dbraw/zinc/87/40/98/647874098.db2.gz LONOUZMJXZAIPH-BBRMVZONSA-N 2 1 289.423 2.006 20 0 CEADMP CCCN(CCC)C(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702287 647874906 /nfs/dbraw/zinc/87/49/06/647874906.db2.gz AEQVFGGFIPXKSE-QGZVFWFLSA-N 2 1 297.487 2.332 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702287 647874909 /nfs/dbraw/zinc/87/49/09/647874909.db2.gz AEQVFGGFIPXKSE-QGZVFWFLSA-N 2 1 297.487 2.332 20 0 CEADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705276 647877280 /nfs/dbraw/zinc/87/72/80/647877280.db2.gz WPOBOQTVMCBVGO-CXAGYDPISA-N 2 1 297.487 2.377 20 0 CEADMP CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709430 647877779 /nfs/dbraw/zinc/87/77/79/647877779.db2.gz XNNYOAAGZKWOOD-BBRMVZONSA-N 2 1 284.444 2.415 20 0 CEADMP CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709430 647877782 /nfs/dbraw/zinc/87/77/82/647877782.db2.gz XNNYOAAGZKWOOD-BBRMVZONSA-N 2 1 284.444 2.415 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000866707421 647878078 /nfs/dbraw/zinc/87/80/78/647878078.db2.gz OCQSSBSOGGHHDL-ZBFHGGJFSA-N 3 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@]1(CN)CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000866707421 647878083 /nfs/dbraw/zinc/87/80/83/647878083.db2.gz OCQSSBSOGGHHDL-ZBFHGGJFSA-N 2 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@]1(CN)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000866707421 647878089 /nfs/dbraw/zinc/87/80/89/647878089.db2.gz OCQSSBSOGGHHDL-ZBFHGGJFSA-N 2 1 267.461 2.073 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1)C1CCC1 ZINC000866708667 647878602 /nfs/dbraw/zinc/87/86/02/647878602.db2.gz SQTDHQKTXDQEND-HOCLYGCPSA-N 2 1 268.445 2.498 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000791478746 648530273 /nfs/dbraw/zinc/53/02/73/648530273.db2.gz YRYCUTSOZZJLJK-USXIJHARSA-N 2 1 276.424 2.382 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000791478746 648530276 /nfs/dbraw/zinc/53/02/76/648530276.db2.gz YRYCUTSOZZJLJK-USXIJHARSA-N 2 1 276.424 2.382 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000791478746 648530279 /nfs/dbraw/zinc/53/02/79/648530279.db2.gz YRYCUTSOZZJLJK-USXIJHARSA-N 2 1 276.424 2.382 20 0 CEADMP CCOC(=O)C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000792194660 648623100 /nfs/dbraw/zinc/62/31/00/648623100.db2.gz FJIWVQKJMLOBEO-GJZGRUSLSA-N 2 1 294.439 2.326 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)C1CCCCC1 ZINC000870919301 648953273 /nfs/dbraw/zinc/95/32/73/648953273.db2.gz UDCWWAPLTSZEBD-GASCZTMLSA-N 2 1 295.471 2.275 20 0 CEADMP [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000870955585 648961183 /nfs/dbraw/zinc/96/11/83/648961183.db2.gz WSUIREFBDGNRSX-QLFBSQMISA-N 2 1 293.455 2.027 20 0 CEADMP C[C@@H]1C[C@@H]1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785109 649184172 /nfs/dbraw/zinc/18/41/72/649184172.db2.gz RJRDMOHLOIHJAE-NZISVWNOSA-N 2 1 251.374 2.014 20 0 CEADMP C[C@@H]1C[C@@H]1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785109 649184178 /nfs/dbraw/zinc/18/41/78/649184178.db2.gz RJRDMOHLOIHJAE-NZISVWNOSA-N 2 1 251.374 2.014 20 0 CEADMP Cc1nc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cs1 ZINC000871785956 649185095 /nfs/dbraw/zinc/18/50/95/649185095.db2.gz PDBBIXVHEKVDOD-VGPLMAKISA-N 2 1 294.424 2.323 20 0 CEADMP Cc1nc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cs1 ZINC000871785956 649185098 /nfs/dbraw/zinc/18/50/98/649185098.db2.gz PDBBIXVHEKVDOD-VGPLMAKISA-N 2 1 294.424 2.323 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CCOC3(CCCC3)C2)CCOCC1 ZINC000872034561 649248153 /nfs/dbraw/zinc/24/81/53/649248153.db2.gz KEBGLARWKPEFMN-HNNXBMFYSA-N 2 1 296.455 2.179 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)[C@H]2CCC[C@H]21 ZINC000872105084 649278704 /nfs/dbraw/zinc/27/87/04/649278704.db2.gz AHOHTPPABIKDQQ-LJISPDSOSA-N 2 1 266.429 2.264 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)CC1(C)C ZINC000872105246 649278792 /nfs/dbraw/zinc/27/87/92/649278792.db2.gz FAUFOCBCRKPWES-STQMWFEESA-N 2 1 254.418 2.264 20 0 CEADMP CC1(C)CO[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000872106205 649279548 /nfs/dbraw/zinc/27/95/48/649279548.db2.gz PETGUYOCOHYOMI-CVEARBPZSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000872126077 649285134 /nfs/dbraw/zinc/28/51/34/649285134.db2.gz JQQBBFZYJWDMAW-OWLYRPNTSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@@H]1CC3(CCC3)CO1)CC[NH2+]CC2 ZINC000872144098 649293673 /nfs/dbraw/zinc/29/36/73/649293673.db2.gz CHYOISGVIJRIPI-GJZGRUSLSA-N 2 1 278.440 2.410 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CC3(CCC3)CO1)CC[NH2+]CC2 ZINC000872144097 649294122 /nfs/dbraw/zinc/29/41/22/649294122.db2.gz CHYOISGVIJRIPI-CABCVRRESA-N 2 1 278.440 2.410 20 0 CEADMP C[C@@H](C(=O)NCc1ccccc1)[N@@H+](C)CCCCCC[NH3+] ZINC000872154905 649298119 /nfs/dbraw/zinc/29/81/19/649298119.db2.gz DVFDBYUVZSXSAF-HNNXBMFYSA-N 2 1 291.439 2.142 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000872154259 649298296 /nfs/dbraw/zinc/29/82/96/649298296.db2.gz PPLPLJFMTFBLMH-AWEZNQCLSA-N 2 1 270.417 2.171 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000872154565 649298836 /nfs/dbraw/zinc/29/88/36/649298836.db2.gz SZDZBDWHRMFFBC-UPJWGTAASA-N 2 1 294.361 2.418 20 0 CEADMP CN(C)C(=O)c1cccc(C[N@@H+](C)CCCCCC[NH3+])c1 ZINC000872155335 649299014 /nfs/dbraw/zinc/29/90/14/649299014.db2.gz JFAVCDKITIJPSA-UHFFFAOYSA-N 2 1 291.439 2.339 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000872155763 649299805 /nfs/dbraw/zinc/29/98/05/649299805.db2.gz YWZDNCNJKJRKTJ-VIFPVBQESA-N 2 1 261.291 2.361 20 0 CEADMP C[N@H+](CCCCCC[NH3+])Cc1nc(CC(F)(F)F)no1 ZINC000872155866 649299940 /nfs/dbraw/zinc/29/99/40/649299940.db2.gz YWJWYTGUEIQRLA-UHFFFAOYSA-N 2 1 294.321 2.125 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1nc(CC(F)(F)F)no1 ZINC000872155866 649299942 /nfs/dbraw/zinc/29/99/42/649299942.db2.gz YWJWYTGUEIQRLA-UHFFFAOYSA-N 2 1 294.321 2.125 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CC12CCC2 ZINC000872251561 649328897 /nfs/dbraw/zinc/32/88/97/649328897.db2.gz OLNXDWUQGNZJOG-CVEARBPZSA-N 2 1 274.408 2.012 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CC12CCC2 ZINC000872251561 649328899 /nfs/dbraw/zinc/32/88/99/649328899.db2.gz OLNXDWUQGNZJOG-CVEARBPZSA-N 2 1 274.408 2.012 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000872254033 649329931 /nfs/dbraw/zinc/32/99/31/649329931.db2.gz POZPXVNGIVJSKK-SECBINFHSA-N 2 1 290.333 2.296 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@H](OC3CCC3)CC2)CC[NH2+]C1 ZINC000872257093 649330612 /nfs/dbraw/zinc/33/06/12/649330612.db2.gz KYQKRXAKNCZBHU-JKSUJKDBSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872279904 649341326 /nfs/dbraw/zinc/34/13/26/649341326.db2.gz MJLQJVFBTVWGLT-JONQDZQNSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@H]1C[C@@H](Nc2cc[nH+]cc2C2CC2)C[N@H+]1C1CC1 ZINC000872476856 649400430 /nfs/dbraw/zinc/40/04/30/649400430.db2.gz ARUSDVFWHDLTSI-WCQYABFASA-N 2 1 257.381 2.418 20 0 CEADMP c1c(C[N@H+]2CCOCC3(CC3)C2)sc2c1C[NH2+]CC2 ZINC000873211313 649591731 /nfs/dbraw/zinc/59/17/31/649591731.db2.gz YIRCVQPIBJPLQB-UHFFFAOYSA-N 2 1 278.421 2.006 20 0 CEADMP C[N@H+]1CC[C@H]2CN(Cc3cccc4c3NCC4)CC[C@@H]21 ZINC000873218996 649594788 /nfs/dbraw/zinc/59/47/88/649594788.db2.gz BOTGMILYISSTBD-HOCLYGCPSA-N 2 1 271.408 2.181 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4c3NCC4)CC[C@@H]21 ZINC000873218996 649594791 /nfs/dbraw/zinc/59/47/91/649594791.db2.gz BOTGMILYISSTBD-HOCLYGCPSA-N 2 1 271.408 2.181 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc4c3NCC4)CC[C@@H]21 ZINC000873218996 649594794 /nfs/dbraw/zinc/59/47/94/649594794.db2.gz BOTGMILYISSTBD-HOCLYGCPSA-N 2 1 271.408 2.181 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc4c3NCC4)CC[C@@H]21 ZINC000873218996 649594795 /nfs/dbraw/zinc/59/47/95/649594795.db2.gz BOTGMILYISSTBD-HOCLYGCPSA-N 2 1 271.408 2.181 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc4c3NCC4)CC[C@@H]21 ZINC000873218996 649594796 /nfs/dbraw/zinc/59/47/96/649594796.db2.gz BOTGMILYISSTBD-HOCLYGCPSA-N 2 1 271.408 2.181 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000873223461 649597993 /nfs/dbraw/zinc/59/79/93/649597993.db2.gz NSMZKWUIHCHDLL-OCCSQVGLSA-N 2 1 256.459 2.436 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000873229257 649600416 /nfs/dbraw/zinc/60/04/16/649600416.db2.gz QOWXZHJQKXUICT-SOUVJXGZSA-N 2 1 282.428 2.040 20 0 CEADMP [NH3+]CC1(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC000873232232 649603559 /nfs/dbraw/zinc/60/35/59/649603559.db2.gz NMJIBLSIDHKWPX-ZBFHGGJFSA-N 3 1 279.472 2.345 20 0 CEADMP [NH3+]CC1(CN2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC000873232232 649603562 /nfs/dbraw/zinc/60/35/62/649603562.db2.gz NMJIBLSIDHKWPX-ZBFHGGJFSA-N 2 1 279.472 2.345 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)C1CCOCC1 ZINC000873236107 649603978 /nfs/dbraw/zinc/60/39/78/649603978.db2.gz XJXKBHQDTBEXDX-GXTWGEPZSA-N 2 1 254.418 2.169 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)n1 ZINC000873237497 649604582 /nfs/dbraw/zinc/60/45/82/649604582.db2.gz PZZPTYGNARMMAK-ZFWWWQNUSA-N 2 1 291.439 2.389 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCSC1)c1c[nH+]ccc1N ZINC000873236598 649605023 /nfs/dbraw/zinc/60/50/23/649605023.db2.gz YHPYCBRMACLVRA-WDEREUQCSA-N 2 1 251.399 2.288 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000873254553 649611529 /nfs/dbraw/zinc/61/15/29/649611529.db2.gz WQHYCPXHXKDQRC-NRSFXHEJSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000873254553 649611533 /nfs/dbraw/zinc/61/15/33/649611533.db2.gz WQHYCPXHXKDQRC-NRSFXHEJSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262014 649615855 /nfs/dbraw/zinc/61/58/55/649615855.db2.gz VGOJEHHAOHDYMD-JFMONLCZSA-N 2 1 287.451 2.065 20 0 CEADMP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873272799 649620384 /nfs/dbraw/zinc/62/03/84/649620384.db2.gz BYFIYYRUIOANMX-WUHRBBMRSA-N 2 1 292.345 2.240 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2noc3cc(F)ccc23)C1 ZINC000873276083 649621436 /nfs/dbraw/zinc/62/14/36/649621436.db2.gz QSDHEYBRDGMURC-QWRGUYRKSA-N 2 1 263.316 2.326 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000873282695 649625079 /nfs/dbraw/zinc/62/50/79/649625079.db2.gz LGXQTEPGMBJSKC-QWHCGFSZSA-N 2 1 288.420 2.422 20 0 CEADMP Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000873295554 649631203 /nfs/dbraw/zinc/63/12/03/649631203.db2.gz KDJMHPNMSZIKFZ-ZWNOBZJWSA-N 2 1 285.395 2.359 20 0 CEADMP Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000873295552 649631337 /nfs/dbraw/zinc/63/13/37/649631337.db2.gz KDJMHPNMSZIKFZ-GXFFZTMASA-N 2 1 285.395 2.359 20 0 CEADMP C=C/C=C\CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000879000489 651225808 /nfs/dbraw/zinc/22/58/08/651225808.db2.gz DUFHVCIEBUKLEU-YVACAVLKSA-N 2 1 252.402 2.161 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1C=CCCC1 ZINC000879124984 651247559 /nfs/dbraw/zinc/24/75/59/651247559.db2.gz KZVQXSYCSCFSJA-MRXNPFEDSA-N 2 1 266.429 2.385 20 0 CEADMP C[NH+]1CCC2(CC1)CC[NH+](CCN1CCCCC1)CC2 ZINC000879247708 651270050 /nfs/dbraw/zinc/27/00/50/651270050.db2.gz HBWZTHDMQYLRMG-UHFFFAOYSA-N 2 1 279.472 2.280 20 0 CEADMP CO[C@@H]1CC[C@H](C)[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000879320537 651284993 /nfs/dbraw/zinc/28/49/93/651284993.db2.gz HNOOOLGSSUNWJB-DZGCQCFKSA-N 2 1 265.401 2.471 20 0 CEADMP CO[C@@H]1CC[C@H](C)[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000879320537 651284996 /nfs/dbraw/zinc/28/49/96/651284996.db2.gz HNOOOLGSSUNWJB-DZGCQCFKSA-N 2 1 265.401 2.471 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOc3ccc(F)cc3)CC[C@@H]21 ZINC000879571979 651323804 /nfs/dbraw/zinc/32/38/04/651323804.db2.gz MNMPINGQRUHGCO-CJNGLKHVSA-N 2 1 278.371 2.231 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCOc3ccc(F)cc3)CC[C@@H]21 ZINC000879571979 651323806 /nfs/dbraw/zinc/32/38/06/651323806.db2.gz MNMPINGQRUHGCO-CJNGLKHVSA-N 2 1 278.371 2.231 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCOc3ccc(F)cc3)CC[C@@H]21 ZINC000879571979 651323808 /nfs/dbraw/zinc/32/38/08/651323808.db2.gz MNMPINGQRUHGCO-CJNGLKHVSA-N 2 1 278.371 2.231 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)CC[C@@H]21 ZINC000879571979 651323810 /nfs/dbraw/zinc/32/38/10/651323810.db2.gz MNMPINGQRUHGCO-CJNGLKHVSA-N 2 1 278.371 2.231 20 0 CEADMP C[N@H+]1CC[C@H]2CN(Cc3cccc4nsnc43)CC[C@H]21 ZINC000879577584 651325368 /nfs/dbraw/zinc/32/53/68/651325368.db2.gz YQRAMUDEMOZYBF-SMDDNHRTSA-N 2 1 288.420 2.217 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOCc3ccccc3)CC[C@H]21 ZINC000879579716 651325755 /nfs/dbraw/zinc/32/57/55/651325755.db2.gz ORPGDHCBQPACBO-IAGOWNOFSA-N 2 1 274.408 2.229 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCOCc3ccccc3)CC[C@H]21 ZINC000879579716 651325757 /nfs/dbraw/zinc/32/57/57/651325757.db2.gz ORPGDHCBQPACBO-IAGOWNOFSA-N 2 1 274.408 2.229 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCOCc3ccccc3)CC[C@H]21 ZINC000879579716 651325760 /nfs/dbraw/zinc/32/57/60/651325760.db2.gz ORPGDHCBQPACBO-IAGOWNOFSA-N 2 1 274.408 2.229 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOCc3ccccc3)CC[C@H]21 ZINC000879579716 651325762 /nfs/dbraw/zinc/32/57/62/651325762.db2.gz ORPGDHCBQPACBO-IAGOWNOFSA-N 2 1 274.408 2.229 20 0 CEADMP CC[C@@H](O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879701854 651341283 /nfs/dbraw/zinc/34/12/83/651341283.db2.gz CFKSNPQCLCTCCU-OAHLLOKOSA-N 2 1 256.434 2.057 20 0 CEADMP CC(C)C[N@@H+](CCC(C)(C)O)CC1CC[NH+](C)CC1 ZINC000879704851 651341914 /nfs/dbraw/zinc/34/19/14/651341914.db2.gz VQRHEYJDRGRJSY-UHFFFAOYSA-N 2 1 270.461 2.447 20 0 CEADMP CCC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950800 651364581 /nfs/dbraw/zinc/36/45/81/651364581.db2.gz CSRXTQNHBGSNNA-OAHLLOKOSA-N 2 1 268.445 2.488 20 0 CEADMP Cc1nocc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258073 651411181 /nfs/dbraw/zinc/41/11/81/651411181.db2.gz BXENWELISNYYET-GFCCVEGCSA-N 2 1 272.352 2.089 20 0 CEADMP Cc1nocc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258073 651411182 /nfs/dbraw/zinc/41/11/82/651411182.db2.gz BXENWELISNYYET-GFCCVEGCSA-N 2 1 272.352 2.089 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)CCN1c1cc[nH+]cc1 ZINC000880260131 651411986 /nfs/dbraw/zinc/41/19/86/651411986.db2.gz BFCAIKWELIIDNV-ZBFHGGJFSA-N 2 1 275.396 2.161 20 0 CEADMP COc1cccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)n1 ZINC000880261376 651412256 /nfs/dbraw/zinc/41/22/56/651412256.db2.gz JIUFKSZJNIBPHR-CQSZACIVSA-N 2 1 298.390 2.196 20 0 CEADMP COc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)n1 ZINC000880261376 651412257 /nfs/dbraw/zinc/41/22/57/651412257.db2.gz JIUFKSZJNIBPHR-CQSZACIVSA-N 2 1 298.390 2.196 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CCN1c1cc[nH+]cc1 ZINC000880263664 651412471 /nfs/dbraw/zinc/41/24/71/651412471.db2.gz ZRWLSSQIABKMKX-HUUCEWRRSA-N 2 1 275.396 2.019 20 0 CEADMP Cc1[nH+]ccn1CC[NH+]1CCC2(CCCCO2)CC1 ZINC000880456388 651444159 /nfs/dbraw/zinc/44/41/59/651444159.db2.gz LHBKYIJGEJHMIM-UHFFFAOYSA-N 2 1 263.385 2.227 20 0 CEADMP CC1([NH+]2CCC2)CC[NH+](CCc2ccncc2)CC1 ZINC000880470753 651446624 /nfs/dbraw/zinc/44/66/24/651446624.db2.gz MGAVSCFQESPQCI-UHFFFAOYSA-N 2 1 259.397 2.184 20 0 CEADMP C[C@H]1CC[C@@H](C[NH+]2CCC(C)([NH+]3CCC3)CC2)O1 ZINC000880473641 651447276 /nfs/dbraw/zinc/44/72/76/651447276.db2.gz LATMKSZGXWYGLW-KBPBESRZSA-N 2 1 252.402 2.114 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCCN1CCOC1=O ZINC000880517599 651454287 /nfs/dbraw/zinc/45/42/87/651454287.db2.gz UOGNLAXHVQOOIG-UHFFFAOYSA-N 2 1 297.443 2.027 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128873910 651626254 /nfs/dbraw/zinc/62/62/54/651626254.db2.gz SOXSLFVRXJBFQV-HZPDHXFCSA-N 2 1 261.413 2.021 20 0 CEADMP CCCCCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000129800895 652175970 /nfs/dbraw/zinc/17/59/70/652175970.db2.gz KIIWNENUBBNXOB-UHFFFAOYSA-N 2 1 255.450 2.136 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000882878195 652245220 /nfs/dbraw/zinc/24/52/20/652245220.db2.gz UCIRZFIPRNVPAQ-UHFFFAOYSA-N 2 1 278.352 2.063 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c2c(c1)COCC2 ZINC000882892989 652253549 /nfs/dbraw/zinc/25/35/49/652253549.db2.gz JXJYTUXCCBLPGX-ZWKOTPCHSA-N 2 1 286.419 2.476 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c2c(c1)COCC2 ZINC000882892989 652253550 /nfs/dbraw/zinc/25/35/50/652253550.db2.gz JXJYTUXCCBLPGX-ZWKOTPCHSA-N 2 1 286.419 2.476 20 0 CEADMP O=c1oc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2o1 ZINC000882897540 652257581 /nfs/dbraw/zinc/25/75/81/652257581.db2.gz LTPXLRHJHMQGBV-CHWSQXEVSA-N 2 1 288.347 2.102 20 0 CEADMP O=c1oc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2o1 ZINC000882897540 652257583 /nfs/dbraw/zinc/25/75/83/652257583.db2.gz LTPXLRHJHMQGBV-CHWSQXEVSA-N 2 1 288.347 2.102 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CCOCC1 ZINC000882999837 652316559 /nfs/dbraw/zinc/31/65/59/652316559.db2.gz ATEJWFPPLWGQRQ-QDMKHBRRSA-N 2 1 266.429 2.266 20 0 CEADMP C=C/C=C/CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000883040876 652341006 /nfs/dbraw/zinc/34/10/06/652341006.db2.gz QSJKVFMLKZZXIP-SNSWZIKMSA-N 2 1 263.385 2.490 20 0 CEADMP C=C/C=C/CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000883040876 652341010 /nfs/dbraw/zinc/34/10/10/652341010.db2.gz QSJKVFMLKZZXIP-SNSWZIKMSA-N 2 1 263.385 2.490 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccns2)[C@@H]2CCC[C@@H]21 ZINC000883247314 652413320 /nfs/dbraw/zinc/41/33/20/652413320.db2.gz GIUDGWGZWAUUKI-IHRRRGAJSA-N 2 1 265.426 2.148 20 0 CEADMP CCO[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1C[NH3+] ZINC000883434915 652468898 /nfs/dbraw/zinc/46/88/98/652468898.db2.gz DQXSAGRFCCNJAG-JHJVBQTASA-N 2 1 276.371 2.108 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H]2CC3(CCC3)CO2)[C@H]1C ZINC000883445617 652472855 /nfs/dbraw/zinc/47/28/55/652472855.db2.gz GWWMQLCFOZEIHL-BARDWOONSA-N 2 1 266.429 2.393 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CC3(CCC3)CO2)[C@H]1C ZINC000883445617 652472857 /nfs/dbraw/zinc/47/28/57/652472857.db2.gz GWWMQLCFOZEIHL-BARDWOONSA-N 2 1 266.429 2.393 20 0 CEADMP C([C@H]1CC2(CCC2)CO1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883460149 652477275 /nfs/dbraw/zinc/47/72/75/652477275.db2.gz QNECZXXLFVUDBX-CQSZACIVSA-N 2 1 264.413 2.164 20 0 CEADMP C([C@H]1CC2(CCC2)CO1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883460149 652477276 /nfs/dbraw/zinc/47/72/76/652477276.db2.gz QNECZXXLFVUDBX-CQSZACIVSA-N 2 1 264.413 2.164 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCSC(F)(F)F)CC[N@H+]1C ZINC000132462511 652522723 /nfs/dbraw/zinc/52/27/23/652522723.db2.gz FASPBWUSEVUQQV-DTWKUNHWSA-N 2 1 256.337 2.312 20 0 CEADMP CC[NH+](CC)CCCOC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000800171437 652671029 /nfs/dbraw/zinc/67/10/29/652671029.db2.gz JWGMMINZBYFINQ-AWEZNQCLSA-N 2 1 270.417 2.136 20 0 CEADMP CC[NH+](CC)CCCOC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000800171437 652671032 /nfs/dbraw/zinc/67/10/32/652671032.db2.gz JWGMMINZBYFINQ-AWEZNQCLSA-N 2 1 270.417 2.136 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCCC[NH+]1CCCCC1 ZINC000800218558 652690680 /nfs/dbraw/zinc/69/06/80/652690680.db2.gz WMKNCDCNKOKXNW-GASCZTMLSA-N 2 1 282.428 2.278 20 0 CEADMP C[NH2+][C@@H](CC(C)C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000884190070 652746953 /nfs/dbraw/zinc/74/69/53/652746953.db2.gz UXLWZQZOAUDWMB-XHSDSOJGSA-N 2 1 297.487 2.105 20 0 CEADMP C[N@@H+](CC1(C)COC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167996059 805603970 /nfs/dbraw/zinc/60/39/70/805603970.db2.gz VYJHGOPAEZMMGE-XYPWUTKMSA-N 2 1 278.440 2.360 20 0 CEADMP C[NH+](CC1(C)COC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167996059 805603977 /nfs/dbraw/zinc/60/39/77/805603977.db2.gz VYJHGOPAEZMMGE-XYPWUTKMSA-N 2 1 278.440 2.360 20 0 CEADMP C[NH+](CC1(C)COC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167996059 805603979 /nfs/dbraw/zinc/60/39/79/805603979.db2.gz VYJHGOPAEZMMGE-XYPWUTKMSA-N 2 1 278.440 2.360 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2c(F)cccc2C1 ZINC001171411097 814924674 /nfs/dbraw/zinc/92/46/74/814924674.db2.gz DMMGPGMJKRAPLB-WCQYABFASA-N 2 1 250.361 2.210 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001168084701 806100062 /nfs/dbraw/zinc/10/00/62/806100062.db2.gz UOPKQQQVZOVUEJ-QKGCVVFFSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001168084701 806100070 /nfs/dbraw/zinc/10/00/70/806100070.db2.gz UOPKQQQVZOVUEJ-QKGCVVFFSA-N 2 1 252.402 2.159 20 0 CEADMP C1[C@@H]2CCC[N@H+]1C[C@H]2NC1CC[NH+](C2CCCCC2)CC1 ZINC000925204199 806144316 /nfs/dbraw/zinc/14/43/16/806144316.db2.gz DXEDOSVDMSNHFI-MAUKXSAKSA-N 2 1 291.483 2.467 20 0 CEADMP C1[C@@H]2CCCN1C[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000925204199 806144320 /nfs/dbraw/zinc/14/43/20/806144320.db2.gz DXEDOSVDMSNHFI-MAUKXSAKSA-N 2 1 291.483 2.467 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC001168092933 806147238 /nfs/dbraw/zinc/14/72/38/806147238.db2.gz JYTDEHPUWBSNJH-BMFZPTHFSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC001168092933 806147241 /nfs/dbraw/zinc/14/72/41/806147241.db2.gz JYTDEHPUWBSNJH-BMFZPTHFSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH2+][C@@]12CC[C@@](NC(=O)[C@H]3CC[N@H+]3C(C)(C)C)(C1)CCC2 ZINC001271975925 806172311 /nfs/dbraw/zinc/17/23/11/806172311.db2.gz MFOSELNIBHUHFY-XOKHGSTOSA-N 2 1 293.455 2.040 20 0 CEADMP Cc1c[nH+]c(NC2(C)CC[NH2+]CC2)c([Si](C)(C)C)c1 ZINC001168183612 806380416 /nfs/dbraw/zinc/38/04/16/806380416.db2.gz JAUWBVWOPKIAMJ-UHFFFAOYSA-N 2 1 277.488 2.489 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001168235347 806426251 /nfs/dbraw/zinc/42/62/51/806426251.db2.gz IGCGSXJHZRMVHB-NXOAAHMSSA-N 2 1 286.419 2.377 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001168231548 806428072 /nfs/dbraw/zinc/42/80/72/806428072.db2.gz RBCGYSOAZYNCEL-BBRMVZONSA-N 2 1 274.408 2.094 20 0 CEADMP COc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@]3(CC[NH+](C)C3)C1)C2 ZINC001168282687 806606151 /nfs/dbraw/zinc/60/61/51/806606151.db2.gz LNXXXDKIPGPNRY-SJLPKXTDSA-N 2 1 286.419 2.190 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH+]1CC[C@@]3(CC[N@H+](C)C3)C1)C2 ZINC001168282687 806606158 /nfs/dbraw/zinc/60/61/58/806606158.db2.gz LNXXXDKIPGPNRY-SJLPKXTDSA-N 2 1 286.419 2.190 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH+]1CC[C@@]3(CC[N@@H+](C)C3)C1)C2 ZINC001168282687 806606163 /nfs/dbraw/zinc/60/61/63/806606163.db2.gz LNXXXDKIPGPNRY-SJLPKXTDSA-N 2 1 286.419 2.190 20 0 CEADMP CC[N@@H+](CCCC(=O)OC)C1CCC([NH+](C)C)CC1 ZINC001168314064 806645707 /nfs/dbraw/zinc/64/57/07/806645707.db2.gz JFKSMSNYIGSMKN-UHFFFAOYSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324249 806653518 /nfs/dbraw/zinc/65/35/18/806653518.db2.gz LTNAIMOFQQVRTF-NRXISQOPSA-N 2 1 282.428 2.277 20 0 CEADMP COC(=O)[C@@H]1CCC[N@@H+](C2CCC([NH+](C)C)CC2)[C@@H]1C ZINC001168323712 806654459 /nfs/dbraw/zinc/65/44/59/806654459.db2.gz BCQHSUGOHQMWTE-XSCHDIRWSA-N 2 1 282.428 2.133 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127947620 806687251 /nfs/dbraw/zinc/68/72/51/806687251.db2.gz SCRXJASFXNLERZ-HRCADAONSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127947620 806687255 /nfs/dbraw/zinc/68/72/55/806687255.db2.gz SCRXJASFXNLERZ-HRCADAONSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127947620 806687263 /nfs/dbraw/zinc/68/72/63/806687263.db2.gz SCRXJASFXNLERZ-HRCADAONSA-N 2 1 267.461 2.179 20 0 CEADMP COC(=O)[C@H]1C[C@H](C)C[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208185698 802377655 /nfs/dbraw/zinc/37/76/55/802377655.db2.gz IDYWJDNEILIIJR-GJZGRUSLSA-N 2 1 296.455 2.239 20 0 CEADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@@H]3C[C@H]3C)C2)C1 ZINC001209419232 802514810 /nfs/dbraw/zinc/51/48/10/802514810.db2.gz WFONJTUDNFJUQD-IKGGRYGDSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C[C@@H]3C[C@H]3C)C2)C1 ZINC001209419232 802514815 /nfs/dbraw/zinc/51/48/15/802514815.db2.gz WFONJTUDNFJUQD-IKGGRYGDSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C[C@@H]3C[C@H]3C)C2)C1 ZINC001209419232 802514816 /nfs/dbraw/zinc/51/48/16/802514816.db2.gz WFONJTUDNFJUQD-IKGGRYGDSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@@H]3C[C@H]3C)C2)C1 ZINC001209419232 802514821 /nfs/dbraw/zinc/51/48/21/802514821.db2.gz WFONJTUDNFJUQD-IKGGRYGDSA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@H]1C[C@@H](C[N@@H+](CCC[NH3+])Cc2ccccc2)C1 ZINC000721943998 808959610 /nfs/dbraw/zinc/95/96/10/808959610.db2.gz SJQHGYKFVHFMMI-IYBDPMFKSA-N 2 1 262.397 2.262 20 0 CEADMP CC/C=C/CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001266474882 802621436 /nfs/dbraw/zinc/62/14/36/802621436.db2.gz XZEQTISUZFGQEA-CGFBPQRUSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001266474882 802621439 /nfs/dbraw/zinc/62/14/39/802621439.db2.gz XZEQTISUZFGQEA-CGFBPQRUSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001266474882 802621442 /nfs/dbraw/zinc/62/14/42/802621442.db2.gz XZEQTISUZFGQEA-CGFBPQRUSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001266474883 802621601 /nfs/dbraw/zinc/62/16/01/802621601.db2.gz XZEQTISUZFGQEA-FZZYSBJUSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001266474883 802621604 /nfs/dbraw/zinc/62/16/04/802621604.db2.gz XZEQTISUZFGQEA-FZZYSBJUSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001266474883 802621608 /nfs/dbraw/zinc/62/16/08/802621608.db2.gz XZEQTISUZFGQEA-FZZYSBJUSA-N 2 1 293.455 2.018 20 0 CEADMP C[N@H+]1CC[C@H](Nc2cc[nH+]cc2-c2ccccc2)C1 ZINC001167278801 802626712 /nfs/dbraw/zinc/62/67/12/802626712.db2.gz SPMPOSQXYISDSE-AWEZNQCLSA-N 2 1 253.349 2.287 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)CC[C@H]1C[NH3+] ZINC000721439513 802650225 /nfs/dbraw/zinc/65/02/25/802650225.db2.gz ATCLSGLTNOBINN-NOOOWODRSA-N 2 1 280.334 2.013 20 0 CEADMP Cc1nn(C)c(Cl)c1C[N@H+](C)CCCCCC[NH3+] ZINC000710800225 809993236 /nfs/dbraw/zinc/99/32/36/809993236.db2.gz UKPVNMDQTZDTBB-UHFFFAOYSA-N 2 1 272.824 2.333 20 0 CEADMP Cc1nn(C)c(Cl)c1C[N@@H+](C)CCCCCC[NH3+] ZINC000710800225 809993237 /nfs/dbraw/zinc/99/32/37/809993237.db2.gz UKPVNMDQTZDTBB-UHFFFAOYSA-N 2 1 272.824 2.333 20 0 CEADMP C[C@H]1C[C@@H](n2cncc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398166395 802806739 /nfs/dbraw/zinc/80/67/39/802806739.db2.gz DNABWYZOKBCPQN-DZGCQCFKSA-N 2 1 270.380 2.177 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000398346822 802836160 /nfs/dbraw/zinc/83/61/60/802836160.db2.gz XMJCKXMHOLTSPI-XABWRGDLSA-N 2 1 286.419 2.274 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000398346822 802836167 /nfs/dbraw/zinc/83/61/67/802836167.db2.gz XMJCKXMHOLTSPI-XABWRGDLSA-N 2 1 286.419 2.274 20 0 CEADMP CC(C)=CC[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001266741015 802874597 /nfs/dbraw/zinc/87/45/97/802874597.db2.gz HLHJEGSWEIXQHJ-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000723647620 802916248 /nfs/dbraw/zinc/91/62/48/802916248.db2.gz RNKBJTAKOUSYCH-UONOGXRCSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000723647620 802916253 /nfs/dbraw/zinc/91/62/53/802916253.db2.gz RNKBJTAKOUSYCH-UONOGXRCSA-N 2 1 263.385 2.255 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000723671637 802923014 /nfs/dbraw/zinc/92/30/14/802923014.db2.gz DVOQWKDBAJZUML-GFCCVEGCSA-N 2 1 268.788 2.390 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000723680609 802925148 /nfs/dbraw/zinc/92/51/48/802925148.db2.gz XEMUKNWFWXEXGA-NSHDSACASA-N 2 1 270.323 2.459 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000723699818 802925569 /nfs/dbraw/zinc/92/55/69/802925569.db2.gz VHTKSTUZGOHQMR-LBPRGKRZSA-N 2 1 295.814 2.339 20 0 CEADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2Cl)C[C@H]1CC[NH3+] ZINC000723890029 802964792 /nfs/dbraw/zinc/96/47/92/802964792.db2.gz DOYXVIJXJGDSRO-VXGBXAGGSA-N 2 1 295.814 2.195 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000723968852 802979638 /nfs/dbraw/zinc/97/96/38/802979638.db2.gz LJWAZFXARIARLN-HZPDHXFCSA-N 2 1 277.412 2.376 20 0 CEADMP C[C@]1(C[NH2+]Cc2cn[nH]c2)CC[N@H+](Cc2ccccc2)C1 ZINC000693496093 802982753 /nfs/dbraw/zinc/98/27/53/802982753.db2.gz QQZMMSQHHAZJEM-QGZVFWFLSA-N 2 1 284.407 2.412 20 0 CEADMP C[C@]1(C[NH2+]Cc2cn[nH]c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000693496093 802982755 /nfs/dbraw/zinc/98/27/55/802982755.db2.gz QQZMMSQHHAZJEM-QGZVFWFLSA-N 2 1 284.407 2.412 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCCOC1 ZINC000724012799 803002927 /nfs/dbraw/zinc/00/29/27/803002927.db2.gz QADVHZXDEBTQOD-CAOSSQGBSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCCOC1 ZINC000724012799 803002936 /nfs/dbraw/zinc/00/29/36/803002936.db2.gz QADVHZXDEBTQOD-CAOSSQGBSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)CCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132278955 812820365 /nfs/dbraw/zinc/82/03/65/812820365.db2.gz SYQKPNSLEUXYNO-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCO[C@@H]4C[C@@H]43)CC2)cc1 ZINC001207294708 803142007 /nfs/dbraw/zinc/14/20/07/803142007.db2.gz RLPPVMFQLJNLFG-ZWKOTPCHSA-N 2 1 286.419 2.372 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ncccc2Br)C1 ZINC000690741217 803161718 /nfs/dbraw/zinc/16/17/18/803161718.db2.gz UPJDMGWDIXQFGF-JTQLQIEISA-N 2 1 284.201 2.015 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cccc(F)c4C3)C[C@@H]2C1 ZINC001171003927 813738239 /nfs/dbraw/zinc/73/82/39/813738239.db2.gz YWANCCBNKMIORB-ZNMIVQPWSA-N 2 1 274.383 2.176 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4cccc(F)c4C3)C[C@@H]2C1 ZINC001171003927 813738247 /nfs/dbraw/zinc/73/82/47/813738247.db2.gz YWANCCBNKMIORB-ZNMIVQPWSA-N 2 1 274.383 2.176 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4cccc(F)c4C3)C[C@@H]2C1 ZINC001171003927 813738253 /nfs/dbraw/zinc/73/82/53/813738253.db2.gz YWANCCBNKMIORB-ZNMIVQPWSA-N 2 1 274.383 2.176 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001267281681 803328107 /nfs/dbraw/zinc/32/81/07/803328107.db2.gz OULGUUHAIMMWBL-INIZCTEOSA-N 2 1 295.471 2.265 20 0 CEADMP CC(C)[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001023984603 803475525 /nfs/dbraw/zinc/47/55/25/803475525.db2.gz GRNZLOMKYNNICK-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267616254 803621011 /nfs/dbraw/zinc/62/10/11/803621011.db2.gz DYZJVFFSTVWNFE-KSLSASGISA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267616254 803621014 /nfs/dbraw/zinc/62/10/14/803621014.db2.gz DYZJVFFSTVWNFE-KSLSASGISA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267616254 803621016 /nfs/dbraw/zinc/62/10/16/803621016.db2.gz DYZJVFFSTVWNFE-KSLSASGISA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267634105 803633733 /nfs/dbraw/zinc/63/37/33/803633733.db2.gz FKDDHVQKRKOLFQ-JKSUJKDBSA-N 2 1 295.471 2.119 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC[C@H](C2CC2)O1 ZINC000715402739 814954376 /nfs/dbraw/zinc/95/43/76/814954376.db2.gz MQVCHTHHWJXIGJ-LVQVYYBASA-N 2 1 264.413 2.160 20 0 CEADMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1cnc2ccccn12 ZINC001207479058 803730516 /nfs/dbraw/zinc/73/05/16/803730516.db2.gz CDWHAKZHHCQWPS-UHFFFAOYSA-N 2 1 286.423 2.498 20 0 CEADMP C[NH+]1CCC(CC[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)CC1 ZINC001207488180 803816532 /nfs/dbraw/zinc/81/65/32/803816532.db2.gz HMDYBKAEGFRWPW-LSDHHAIUSA-N 2 1 264.413 2.019 20 0 CEADMP CCCn1nccc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715530420 814972733 /nfs/dbraw/zinc/97/27/33/814972733.db2.gz XXVZFNYMRKONHO-ZIAGYGMSSA-N 2 1 264.417 2.256 20 0 CEADMP C([C@H]1CC[C@@H](C2CC2)O1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000715540395 814973842 /nfs/dbraw/zinc/97/38/42/814973842.db2.gz VBIWDSWRWJZIJM-NCOADZHNSA-N 2 1 278.440 2.408 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1F ZINC000125534102 804094612 /nfs/dbraw/zinc/09/46/12/804094612.db2.gz HICHUIIHWHLTCQ-NSHDSACASA-N 2 1 252.333 2.005 20 0 CEADMP C[C@H]1C[N@H+](CCc2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC001118241890 814996183 /nfs/dbraw/zinc/99/61/83/814996183.db2.gz QNKWVYXYYDLCOR-IINYFYTJSA-N 2 1 254.324 2.176 20 0 CEADMP C[C@H]1C[N@@H+](CCc2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC001118241890 814996191 /nfs/dbraw/zinc/99/61/91/814996191.db2.gz QNKWVYXYYDLCOR-IINYFYTJSA-N 2 1 254.324 2.176 20 0 CEADMP CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027878939 804312905 /nfs/dbraw/zinc/31/29/05/804312905.db2.gz KHANUJNDYJVZMN-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001027878939 804312913 /nfs/dbraw/zinc/31/29/13/804312913.db2.gz KHANUJNDYJVZMN-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001027878939 804312923 /nfs/dbraw/zinc/31/29/23/804312923.db2.gz KHANUJNDYJVZMN-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001167824010 804379848 /nfs/dbraw/zinc/37/98/48/804379848.db2.gz ATNNTLVOBNMCLP-HZPDHXFCSA-N 2 1 297.487 2.297 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716028231 815015601 /nfs/dbraw/zinc/01/56/01/815015601.db2.gz ZKFYUTIEQYQLCF-WYTNZGFTSA-N 2 1 254.443 2.391 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(C)=O)C1 ZINC001167840721 804441803 /nfs/dbraw/zinc/44/18/03/804441803.db2.gz IAGGGMXVFOBQFQ-DOTOQJQBSA-N 2 1 297.487 2.440 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCOCC12CC2 ZINC001167841902 804445978 /nfs/dbraw/zinc/44/59/78/804445978.db2.gz UHBKSVBGSGNTLE-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP CCOC(=O)[C@H]1[C@@H]2C[N@@H+]([C@H](C)CCC[NH+](CC)CC)C[C@@H]21 ZINC001167841948 804447674 /nfs/dbraw/zinc/44/76/74/804447674.db2.gz VEBSFLWJMAJRNH-WCVJEAGWSA-N 2 1 296.455 2.238 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028180498 804516952 /nfs/dbraw/zinc/51/69/52/804516952.db2.gz BAFKYDMCYWCAHZ-CVEARBPZSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001028180498 804516959 /nfs/dbraw/zinc/51/69/59/804516959.db2.gz BAFKYDMCYWCAHZ-CVEARBPZSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001028180498 804516964 /nfs/dbraw/zinc/51/69/64/804516964.db2.gz BAFKYDMCYWCAHZ-CVEARBPZSA-N 2 1 295.471 2.238 20 0 CEADMP CCC/C=C/CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001268256517 804579042 /nfs/dbraw/zinc/57/90/42/804579042.db2.gz IFQOPBNGHRHGRW-WAVCKPEOSA-N 2 1 295.471 2.075 20 0 CEADMP CCC/C=C/CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268256517 804579046 /nfs/dbraw/zinc/57/90/46/804579046.db2.gz IFQOPBNGHRHGRW-WAVCKPEOSA-N 2 1 295.471 2.075 20 0 CEADMP CCC/C=C/CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268256517 804579048 /nfs/dbraw/zinc/57/90/48/804579048.db2.gz IFQOPBNGHRHGRW-WAVCKPEOSA-N 2 1 295.471 2.075 20 0 CEADMP COC(=O)[C@@H](CCC[NH3+])Nc1ccc2c(C)cc[nH+]c2c1 ZINC001167899649 804601562 /nfs/dbraw/zinc/60/15/62/804601562.db2.gz PDEYRIQBIRMAHZ-CQSZACIVSA-N 2 1 287.363 2.236 20 0 CEADMP CC(C)C(=O)Nc1cccc(NC(=[NH2+])SCC[NH3+])c1 ZINC001167911956 804693478 /nfs/dbraw/zinc/69/34/78/804693478.db2.gz HNLPXVSQEMECAA-UHFFFAOYSA-N 2 1 280.397 2.320 20 0 CEADMP CC/C=C/CC[NH+]1CC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001268483489 804741570 /nfs/dbraw/zinc/74/15/70/804741570.db2.gz MMGCLBJINMXFME-FKZIUMHTSA-N 2 1 293.455 2.016 20 0 CEADMP CC/C=C/CC[NH+]1CC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001268483489 804741572 /nfs/dbraw/zinc/74/15/72/804741572.db2.gz MMGCLBJINMXFME-FKZIUMHTSA-N 2 1 293.455 2.016 20 0 CEADMP CN1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167964065 805443444 /nfs/dbraw/zinc/44/34/44/805443444.db2.gz MOQGWOQZQCKNTE-XYTVBORESA-N 2 1 277.456 2.076 20 0 CEADMP C[N@@H+]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167964065 805443450 /nfs/dbraw/zinc/44/34/50/805443450.db2.gz MOQGWOQZQCKNTE-XYTVBORESA-N 2 1 277.456 2.076 20 0 CEADMP C[N@H+]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167964065 805443455 /nfs/dbraw/zinc/44/34/55/805443455.db2.gz MOQGWOQZQCKNTE-XYTVBORESA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167964065 805443457 /nfs/dbraw/zinc/44/34/57/805443457.db2.gz MOQGWOQZQCKNTE-XYTVBORESA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167964065 805443466 /nfs/dbraw/zinc/44/34/66/805443466.db2.gz MOQGWOQZQCKNTE-XYTVBORESA-N 2 1 277.456 2.076 20 0 CEADMP CC(C)(CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964008 805443862 /nfs/dbraw/zinc/44/38/62/805443862.db2.gz JXBLEVASZZGARM-GOOCMWNKSA-N 2 1 266.429 2.142 20 0 CEADMP CCC[C@@H](C[NH2+]C[C@H](C)Cn1cc[nH+]c1C)OC ZINC001119239860 815078557 /nfs/dbraw/zinc/07/85/57/815078557.db2.gz OGWUYDBUXUUFTP-JSGCOSHPSA-N 2 1 253.390 2.232 20 0 CEADMP Cc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cn1 ZINC001167966645 805484761 /nfs/dbraw/zinc/48/47/61/805484761.db2.gz YGEKKZBBQWIYTL-ALOPSCKCSA-N 2 1 286.423 2.280 20 0 CEADMP Cc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001167966645 805484768 /nfs/dbraw/zinc/48/47/68/805484768.db2.gz YGEKKZBBQWIYTL-ALOPSCKCSA-N 2 1 286.423 2.280 20 0 CEADMP C[C@@H]1COCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167983806 805521539 /nfs/dbraw/zinc/52/15/39/805521539.db2.gz IEJVQJBQIXWUGB-JTUUTPGSSA-N 2 1 278.440 2.360 20 0 CEADMP C[C@@H]1COCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167983806 805521543 /nfs/dbraw/zinc/52/15/43/805521543.db2.gz IEJVQJBQIXWUGB-JTUUTPGSSA-N 2 1 278.440 2.360 20 0 CEADMP C[C@@H]1COCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983806 805521547 /nfs/dbraw/zinc/52/15/47/805521547.db2.gz IEJVQJBQIXWUGB-JTUUTPGSSA-N 2 1 278.440 2.360 20 0 CEADMP C[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@@H]1O ZINC001167984712 805537243 /nfs/dbraw/zinc/53/72/43/805537243.db2.gz PVSRFWIKXGHJSK-XYAUDYEYSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@@H]1O ZINC001167984712 805537246 /nfs/dbraw/zinc/53/72/46/805537246.db2.gz PVSRFWIKXGHJSK-XYAUDYEYSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@@H]1O ZINC001167984712 805537253 /nfs/dbraw/zinc/53/72/53/805537253.db2.gz PVSRFWIKXGHJSK-XYAUDYEYSA-N 2 1 292.467 2.485 20 0 CEADMP C[NH+](C)CCNc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001161668277 805538580 /nfs/dbraw/zinc/53/85/80/805538580.db2.gz ALVVCNAJGRCTOI-UHFFFAOYSA-N 2 1 280.372 2.402 20 0 CEADMP C[C@H]1CC[C@@H](CO)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985599 805543092 /nfs/dbraw/zinc/54/30/92/805543092.db2.gz YRQKTFCXEYQURS-IMLUKAASSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@H]1CC[C@@H](CO)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167985599 805543095 /nfs/dbraw/zinc/54/30/95/805543095.db2.gz YRQKTFCXEYQURS-IMLUKAASSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@H]1CC[C@@H](CO)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167985599 805543100 /nfs/dbraw/zinc/54/31/00/805543100.db2.gz YRQKTFCXEYQURS-IMLUKAASSA-N 2 1 292.467 2.485 20 0 CEADMP [NH3+]CCc1c[nH+]cn1[C@@H]1CCc2cc(F)ccc2C1 ZINC001168399170 807080850 /nfs/dbraw/zinc/08/08/50/807080850.db2.gz YERNGQUHQXRHRT-CQSZACIVSA-N 2 1 259.328 2.253 20 0 CEADMP C[NH2+]C1CC[NH+](C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000716280715 815109657 /nfs/dbraw/zinc/10/96/57/815109657.db2.gz ZYHBIAQWNLXDOV-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716295951 815110858 /nfs/dbraw/zinc/11/08/58/815110858.db2.gz SWNQFPHIOQMVDQ-UONOGXRCSA-N 2 1 252.402 2.006 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716309319 815112248 /nfs/dbraw/zinc/11/22/48/815112248.db2.gz LDBNGRJYYOMZCJ-HUUCEWRRSA-N 2 1 266.429 2.397 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001089189059 807412326 /nfs/dbraw/zinc/41/23/26/807412326.db2.gz NEYQUPAYVDEECG-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001089189059 807412327 /nfs/dbraw/zinc/41/23/27/807412327.db2.gz NEYQUPAYVDEECG-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001089189059 807412330 /nfs/dbraw/zinc/41/23/30/807412330.db2.gz NEYQUPAYVDEECG-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H](C)C[N@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001272419524 807471023 /nfs/dbraw/zinc/47/10/23/807471023.db2.gz GIIMEXCJSDMNGR-RDJZCZTQSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCCC[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001272476252 807518446 /nfs/dbraw/zinc/51/84/46/807518446.db2.gz LCBHWQKQTGJJNE-QGZVFWFLSA-N 2 1 295.471 2.195 20 0 CEADMP CC[C@H](C)C[NH+]1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001031044842 807617554 /nfs/dbraw/zinc/61/75/54/807617554.db2.gz FNINNDKDCGPZHI-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCc2nc(C[NH2+]CCC(C)(C)[NH3+])sc2C1 ZINC001119610793 815138852 /nfs/dbraw/zinc/13/88/52/815138852.db2.gz GVCVGOAAEUIULQ-SNVBAGLBSA-N 2 1 267.442 2.485 20 0 CEADMP Cc1c(C[N@@H+]2CCC[C@H]([NH3+])CC2)ccnc1Cl ZINC001205117074 807702416 /nfs/dbraw/zinc/70/24/16/807702416.db2.gz KHLYBVALSXXNGG-LBPRGKRZSA-N 2 1 253.777 2.357 20 0 CEADMP Cc1c(C[N@H+]2CCC[C@H]([NH3+])CC2)ccnc1Cl ZINC001205117074 807702420 /nfs/dbraw/zinc/70/24/20/807702420.db2.gz KHLYBVALSXXNGG-LBPRGKRZSA-N 2 1 253.777 2.357 20 0 CEADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099233944 807777123 /nfs/dbraw/zinc/77/71/23/807777123.db2.gz DXYFBAPWSBNSDU-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099233944 807777129 /nfs/dbraw/zinc/77/71/29/807777129.db2.gz DXYFBAPWSBNSDU-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001099233944 807777131 /nfs/dbraw/zinc/77/71/31/807777131.db2.gz DXYFBAPWSBNSDU-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](CC1CC2(C1)CC[NH2+]CC2)C[C@@H]1CC[NH2+]C1 ZINC001236828415 808172004 /nfs/dbraw/zinc/17/20/04/808172004.db2.gz IUKNAFIXVIKEGO-OAHLLOKOSA-N 3 1 279.472 2.088 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]CC=C(C)C ZINC001127675959 808186942 /nfs/dbraw/zinc/18/69/42/808186942.db2.gz WTBYXICCFUAZAU-CQSZACIVSA-N 2 1 292.427 2.069 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCCC(C)(C)C)CC[N@H+]1C ZINC001127701296 808203652 /nfs/dbraw/zinc/20/36/52/808203652.db2.gz NDNBHAQDFSKOQF-LSDHHAIUSA-N 2 1 297.487 2.249 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1C[C@@]1(C)Br ZINC001120053732 815193019 /nfs/dbraw/zinc/19/30/19/815193019.db2.gz NHNUQJCNVOJSPG-MROQNXINSA-N 2 1 289.261 2.432 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1C[C@@]1(C)Br ZINC001120053732 815193022 /nfs/dbraw/zinc/19/30/22/815193022.db2.gz NHNUQJCNVOJSPG-MROQNXINSA-N 2 1 289.261 2.432 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@@H]1C[C@@]1(C)Br ZINC001120053732 815193025 /nfs/dbraw/zinc/19/30/25/815193025.db2.gz NHNUQJCNVOJSPG-MROQNXINSA-N 2 1 289.261 2.432 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@@H]1C[C@@]1(C)Br ZINC001120053732 815193027 /nfs/dbraw/zinc/19/30/27/815193027.db2.gz NHNUQJCNVOJSPG-MROQNXINSA-N 2 1 289.261 2.432 20 0 CEADMP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107042428 808322281 /nfs/dbraw/zinc/32/22/81/808322281.db2.gz MIPWPJGHUDKPCO-HZPDHXFCSA-N 2 1 297.487 2.057 20 0 CEADMP Cc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C)C1)C2 ZINC001171552583 815195281 /nfs/dbraw/zinc/19/52/81/815195281.db2.gz ZWUCMNAFXRAQBR-HOCLYGCPSA-N 2 1 258.409 2.394 20 0 CEADMP CC(=O)N1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171628601 815200924 /nfs/dbraw/zinc/20/09/24/815200924.db2.gz CHTGYKZHOHIYNQ-UHFFFAOYSA-N 2 1 295.471 2.192 20 0 CEADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC001171657421 815208520 /nfs/dbraw/zinc/20/85/20/815208520.db2.gz HDJZPHSPVXPSFH-GDBMZVCRSA-N 2 1 292.423 2.186 20 0 CEADMP CC(=O)N[C@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171636888 815213796 /nfs/dbraw/zinc/21/37/96/815213796.db2.gz JMBAZYSEYCDHIL-AWEZNQCLSA-N 2 1 295.471 2.238 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@@H+](CCCc2ccccc2Cl)CC1 ZINC001205209388 808553741 /nfs/dbraw/zinc/55/37/41/808553741.db2.gz IZPUKRKSZGGLNH-INIZCTEOSA-N 2 1 296.842 2.448 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CC)C1 ZINC001120438504 815223629 /nfs/dbraw/zinc/22/36/29/815223629.db2.gz AVRIXOUODHGTDK-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC)C1 ZINC001120438504 815223635 /nfs/dbraw/zinc/22/36/35/815223635.db2.gz AVRIXOUODHGTDK-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC)C1 ZINC001120438504 815223640 /nfs/dbraw/zinc/22/36/40/815223640.db2.gz AVRIXOUODHGTDK-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCC[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171731910 815219230 /nfs/dbraw/zinc/21/92/30/815219230.db2.gz QBUYGQCMNMGXHB-UHFFFAOYSA-N 2 1 271.449 2.004 20 0 CEADMP C[C@H](C[NH3+])CN(C)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171733019 815220784 /nfs/dbraw/zinc/22/07/84/815220784.db2.gz HHQINLOIWYHYSL-BFYDXBDKSA-N 2 1 275.440 2.176 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(Cl)cc2F)CC1 ZINC001205219194 808607536 /nfs/dbraw/zinc/60/75/36/808607536.db2.gz ADSRSLODOVJBDL-CQSZACIVSA-N 2 1 286.778 2.155 20 0 CEADMP C[C@H]1C[C@@H](N(C)CC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001171747204 815224030 /nfs/dbraw/zinc/22/40/30/815224030.db2.gz XXJQIJJIUKCKMA-DOTOQJQBSA-N 2 1 275.440 2.143 20 0 CEADMP COc1ccc([C@@H]2C[C@@H]([NH2+]C(C)(C)C[NH3+])CCO2)cc1 ZINC001168583135 808669344 /nfs/dbraw/zinc/66/93/44/808669344.db2.gz INEZZUUMHAPMBK-ZFWWWQNUSA-N 2 1 278.396 2.242 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC(CC)CC)CC1 ZINC001203460649 808698924 /nfs/dbraw/zinc/69/89/24/808698924.db2.gz UFESJTMLPRGXBB-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000691351681 808872818 /nfs/dbraw/zinc/87/28/18/808872818.db2.gz RWGNLWHSCMUVET-ZBFHGGJFSA-N 2 1 268.445 2.344 20 0 CEADMP CCOC(=O)C1(C)CCC(n2c[nH+]cc2CC[NH3+])CC1 ZINC001171935195 815255853 /nfs/dbraw/zinc/25/58/53/815255853.db2.gz NDEQJZFYHZFXQT-UHFFFAOYSA-N 2 1 279.384 2.069 20 0 CEADMP CC1(C)C[C@@H](N2CC([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001171962867 815253085 /nfs/dbraw/zinc/25/30/85/815253085.db2.gz DDJCMCLIFKJUAN-INIZCTEOSA-N 2 1 273.424 2.073 20 0 CEADMP CO[C@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C12CCC2 ZINC000453392441 809048647 /nfs/dbraw/zinc/04/86/47/809048647.db2.gz FKKJXAVFTPUZSW-CABCVRRESA-N 2 1 266.429 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CC(C)(C)C1 ZINC001128785771 809459269 /nfs/dbraw/zinc/45/92/69/809459269.db2.gz RLJCLEWCMUPTAI-HNNXBMFYSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H]1CCOc3ccccc31)C2 ZINC000702063721 809491508 /nfs/dbraw/zinc/49/15/08/809491508.db2.gz GJNZWOYOAMUPMX-JKIFEVAISA-N 2 1 272.392 2.094 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](C)C1CCC([NH3+])CC1)C2 ZINC001172104639 815295257 /nfs/dbraw/zinc/29/52/57/815295257.db2.gz DPLJEYVNAIMZLN-LISQQWEMSA-N 2 1 265.445 2.203 20 0 CEADMP C[N@H+](C1CCC([NH3+])CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172104639 815295259 /nfs/dbraw/zinc/29/52/59/815295259.db2.gz DPLJEYVNAIMZLN-LISQQWEMSA-N 3 1 265.445 2.203 20 0 CEADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172104639 815295262 /nfs/dbraw/zinc/29/52/62/815295262.db2.gz DPLJEYVNAIMZLN-LISQQWEMSA-N 3 1 265.445 2.203 20 0 CEADMP C[NH+](C1CCC([NH3+])CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104639 815295263 /nfs/dbraw/zinc/29/52/63/815295263.db2.gz DPLJEYVNAIMZLN-LISQQWEMSA-N 3 1 265.445 2.203 20 0 CEADMP C[NH+](C1CCC([NH3+])CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104639 815295268 /nfs/dbraw/zinc/29/52/68/815295268.db2.gz DPLJEYVNAIMZLN-LISQQWEMSA-N 3 1 265.445 2.203 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CC(C)(C)O1)C2 ZINC001172107488 815295403 /nfs/dbraw/zinc/29/54/03/815295403.db2.gz YIGJMJIEUXMOOF-FQUUOJAGSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000702640035 809572620 /nfs/dbraw/zinc/57/26/20/809572620.db2.gz IFVWZMYSDRVWQR-QXSJWSMHSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000702640035 809572622 /nfs/dbraw/zinc/57/26/22/809572622.db2.gz IFVWZMYSDRVWQR-QXSJWSMHSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000702640032 809572732 /nfs/dbraw/zinc/57/27/32/809572732.db2.gz IFVWZMYSDRVWQR-JONQDZQNSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000702640032 809572736 /nfs/dbraw/zinc/57/27/36/809572736.db2.gz IFVWZMYSDRVWQR-JONQDZQNSA-N 2 1 266.429 2.002 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110792 815299678 /nfs/dbraw/zinc/29/96/78/815299678.db2.gz PEUZHFYJIYYXLD-UXXRCYHCSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172110792 815299681 /nfs/dbraw/zinc/29/96/81/815299681.db2.gz PEUZHFYJIYYXLD-UXXRCYHCSA-N 2 1 252.402 2.016 20 0 CEADMP COC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172112679 815300876 /nfs/dbraw/zinc/30/08/76/815300876.db2.gz ZFZGRSXIBZTPAX-APIJFGDWSA-N 2 1 252.402 2.016 20 0 CEADMP COC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172112679 815300881 /nfs/dbraw/zinc/30/08/81/815300881.db2.gz ZFZGRSXIBZTPAX-APIJFGDWSA-N 2 1 252.402 2.016 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccncc2Br)C1 ZINC000702870530 809591812 /nfs/dbraw/zinc/59/18/12/809591812.db2.gz LPDXYZKGORJDSW-JTQLQIEISA-N 2 1 284.201 2.015 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432616 809607941 /nfs/dbraw/zinc/60/79/41/809607941.db2.gz WSUURIKWRLJJAB-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)C2 ZINC001172116390 815307533 /nfs/dbraw/zinc/30/75/33/815307533.db2.gz HDLOWTDEVUZRLA-LJIZCISZSA-N 2 1 266.429 2.142 20 0 CEADMP COc1ccccc1CCC[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205057934 809665877 /nfs/dbraw/zinc/66/58/77/809665877.db2.gz AAIDCZKTZDVDMX-ZFWWWQNUSA-N 2 1 262.397 2.439 20 0 CEADMP COc1ccccc1CCC[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205057934 809665880 /nfs/dbraw/zinc/66/58/80/809665880.db2.gz AAIDCZKTZDVDMX-ZFWWWQNUSA-N 2 1 262.397 2.439 20 0 CEADMP COC(=O)[C@@H]([NH3+])Cc1ccc(NC(=[NH2+])C(C)(C)C)cc1 ZINC001162660180 809723092 /nfs/dbraw/zinc/72/30/92/809723092.db2.gz FDSSSCWNSNEPOU-LBPRGKRZSA-N 2 1 277.368 2.165 20 0 CEADMP C(C[C@@H]1CCSC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000704919000 809763304 /nfs/dbraw/zinc/76/33/04/809763304.db2.gz PCCPHZBGRLBAKE-MGPQQGTHSA-N 2 1 254.443 2.346 20 0 CEADMP Cn1nc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1Cl ZINC000706156162 809807078 /nfs/dbraw/zinc/80/70/78/809807078.db2.gz WAIDWJMBYKKFLG-CYBMUJFWSA-N 2 1 296.846 2.285 20 0 CEADMP Cn1nc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1Cl ZINC000706156162 809807082 /nfs/dbraw/zinc/80/70/82/809807082.db2.gz WAIDWJMBYKKFLG-CYBMUJFWSA-N 2 1 296.846 2.285 20 0 CEADMP CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000708432707 809930675 /nfs/dbraw/zinc/93/06/75/809930675.db2.gz JDKDAZRUGFPJSL-HUUCEWRRSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)C[C@@H]2CCOC2)C1 ZINC000709670575 809950041 /nfs/dbraw/zinc/95/00/41/809950041.db2.gz BEQDMVDCCLDWKL-QLFBSQMISA-N 2 1 254.418 2.121 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C(F)(F)F ZINC000709828267 809971304 /nfs/dbraw/zinc/97/13/04/809971304.db2.gz TUFXYTGIGUKQGR-IVZWLZJFSA-N 2 1 286.288 2.491 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1C(F)(F)F ZINC000709856973 809972659 /nfs/dbraw/zinc/97/26/59/809972659.db2.gz YAELLWCPGCBRHG-UJPOAAIJSA-N 2 1 276.346 2.492 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710940026 810006933 /nfs/dbraw/zinc/00/69/33/810006933.db2.gz PDCXSLFYEQPHGM-CYBMUJFWSA-N 2 1 299.459 2.172 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710940026 810006934 /nfs/dbraw/zinc/00/69/34/810006934.db2.gz PDCXSLFYEQPHGM-CYBMUJFWSA-N 2 1 299.459 2.172 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C[NH3+] ZINC000923383050 810090175 /nfs/dbraw/zinc/09/01/75/810090175.db2.gz PLHIUARCMVWWRW-NFKCIVMESA-N 3 1 279.472 2.212 20 0 CEADMP CCc1onc(C)c1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000923383917 810090388 /nfs/dbraw/zinc/09/03/88/810090388.db2.gz YYLHTVMPVMPIDW-LOWVWBTDSA-N 2 1 265.401 2.351 20 0 CEADMP C[NH+](C)CC(C)(C)CNc1nc(NCC2CC2)cc[nH+]1 ZINC001168762808 810096788 /nfs/dbraw/zinc/09/67/88/810096788.db2.gz OZSJPALQKOKNOV-UHFFFAOYSA-N 2 1 277.416 2.298 20 0 CEADMP C[C@@H]1c2sccc2CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000711815959 810097817 /nfs/dbraw/zinc/09/78/17/810097817.db2.gz JGZJDXVSZADSBA-DGCLKSJQSA-N 2 1 278.421 2.188 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nc(-c3ccccc3)no2)CC[C@@H]1C[NH3+] ZINC000923503652 810105702 /nfs/dbraw/zinc/10/57/02/810105702.db2.gz KHQHREMKMUPTCT-GXTWGEPZSA-N 2 1 286.379 2.153 20 0 CEADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015504589 810297064 /nfs/dbraw/zinc/29/70/64/810297064.db2.gz PPOUDFYBBZQGJA-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP COCCC[NH+]1CCC([N@H+](C(C)C)C2CCOCC2)CC1 ZINC001172258211 815360284 /nfs/dbraw/zinc/36/02/84/815360284.db2.gz WNYHGJLPQFPODE-UHFFFAOYSA-N 2 1 298.471 2.377 20 0 CEADMP COCCC[NH+]1CCC([N@@H+](C(C)C)C2CCOCC2)CC1 ZINC001172258211 815360291 /nfs/dbraw/zinc/36/02/91/815360291.db2.gz WNYHGJLPQFPODE-UHFFFAOYSA-N 2 1 298.471 2.377 20 0 CEADMP CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001019068794 810675792 /nfs/dbraw/zinc/67/57/92/810675792.db2.gz MLEDWRJYMWJZPL-AWEZNQCLSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC)C1 ZINC001019632290 810726000 /nfs/dbraw/zinc/72/60/00/810726000.db2.gz HIATWKQUULDVEE-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@@H](C)OCC[C@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172351528 815400290 /nfs/dbraw/zinc/40/02/90/815400290.db2.gz CMJLVWKAZPMMJZ-UONOGXRCSA-N 2 1 265.401 2.335 20 0 CEADMP CC[C@@H](C)OCC[C@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172351528 815400293 /nfs/dbraw/zinc/40/02/93/815400293.db2.gz CMJLVWKAZPMMJZ-UONOGXRCSA-N 2 1 265.401 2.335 20 0 CEADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172359469 815402296 /nfs/dbraw/zinc/40/22/96/815402296.db2.gz NEFYGZFYLPQIAB-IGQOVBAYSA-N 2 1 270.417 2.071 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC(C)C ZINC001085628741 810857065 /nfs/dbraw/zinc/85/70/65/810857065.db2.gz DXNVUDXMYAKCBZ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC(C)C ZINC001085628741 810857071 /nfs/dbraw/zinc/85/70/71/810857071.db2.gz DXNVUDXMYAKCBZ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC(C)C ZINC001085628741 810857078 /nfs/dbraw/zinc/85/70/78/810857078.db2.gz DXNVUDXMYAKCBZ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1nc(N[C@H]2CCC[C@@H]([NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC001154977507 810872717 /nfs/dbraw/zinc/87/27/17/810872717.db2.gz NYEFHQPIXFDVMS-OLZOCXBDSA-N 2 1 275.400 2.067 20 0 CEADMP [NH3+][C@H]1CCC[C@H](Nc2nc(N3CCCCC3)cc[nH+]2)C1 ZINC001154985606 810879289 /nfs/dbraw/zinc/87/92/89/810879289.db2.gz NQOWUHVZWFDAGL-STQMWFEESA-N 2 1 275.400 2.149 20 0 CEADMP CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001085779512 810911204 /nfs/dbraw/zinc/91/12/04/810911204.db2.gz XEMOLRDJOHGHPD-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001085779512 810911209 /nfs/dbraw/zinc/91/12/09/810911209.db2.gz XEMOLRDJOHGHPD-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001085779512 810911216 /nfs/dbraw/zinc/91/12/16/810911216.db2.gz XEMOLRDJOHGHPD-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCOCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172421232 815415207 /nfs/dbraw/zinc/41/52/07/815415207.db2.gz WEXFUNABONOMJF-TUVASFSCSA-N 2 1 254.418 2.406 20 0 CEADMP CCOCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172421232 815415210 /nfs/dbraw/zinc/41/52/10/815415210.db2.gz WEXFUNABONOMJF-TUVASFSCSA-N 2 1 254.418 2.406 20 0 CEADMP CCOCC[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001172434211 815423993 /nfs/dbraw/zinc/42/39/93/815423993.db2.gz VHTBYQATNCIMQT-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP [NH3+][C@H]1CCc2nn(-c3cc[nH+]cc3C(F)(F)F)cc2C1 ZINC001168816841 811245449 /nfs/dbraw/zinc/24/54/49/811245449.db2.gz ULNVLCHFSWIRSD-VIFPVBQESA-N 2 1 282.269 2.102 20 0 CEADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168809002 811251957 /nfs/dbraw/zinc/25/19/57/811251957.db2.gz SPZAWMJTEXEUAU-UONOGXRCSA-N 2 1 299.459 2.444 20 0 CEADMP CCC(CC)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001043098921 811350409 /nfs/dbraw/zinc/35/04/09/811350409.db2.gz FPQPJDYNIFTKGS-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001169058399 811359427 /nfs/dbraw/zinc/35/94/27/811359427.db2.gz HGJNFWPZQQHGJL-SJORKVTESA-N 2 1 276.424 2.303 20 0 CEADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001169058399 811359437 /nfs/dbraw/zinc/35/94/37/811359437.db2.gz HGJNFWPZQQHGJL-SJORKVTESA-N 2 1 276.424 2.303 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC[C@@H]1CCCCO1)C2 ZINC001169092698 811363527 /nfs/dbraw/zinc/36/35/27/811363527.db2.gz CKRWVCZQUJURJO-XQLPTFJDSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCc1cccnc1)C2 ZINC001169099516 811371129 /nfs/dbraw/zinc/37/11/29/811371129.db2.gz UFTUFSRKAJEZDC-MUJYYYPQSA-N 2 1 259.397 2.229 20 0 CEADMP CO[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169099919 811371590 /nfs/dbraw/zinc/37/15/90/811371590.db2.gz WRZHYIYSNMHALQ-SZQRGFMASA-N 2 1 252.402 2.159 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOc1cccc(F)c1)C2 ZINC001169101274 811372727 /nfs/dbraw/zinc/37/27/27/811372727.db2.gz QEOIFNXTQOYZQO-QKDCVEJESA-N 2 1 278.371 2.419 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001169080299 811377784 /nfs/dbraw/zinc/37/77/84/811377784.db2.gz MKGSSODEPHDOEZ-AKHDSKFASA-N 2 1 299.462 2.476 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001169080299 811377797 /nfs/dbraw/zinc/37/77/97/811377797.db2.gz MKGSSODEPHDOEZ-AKHDSKFASA-N 2 1 299.462 2.476 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001169080299 811377804 /nfs/dbraw/zinc/37/78/04/811377804.db2.gz MKGSSODEPHDOEZ-AKHDSKFASA-N 2 1 299.462 2.476 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC001169080299 811377814 /nfs/dbraw/zinc/37/78/14/811377814.db2.gz MKGSSODEPHDOEZ-AKHDSKFASA-N 2 1 299.462 2.476 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC001169080299 811377823 /nfs/dbraw/zinc/37/78/23/811377823.db2.gz MKGSSODEPHDOEZ-AKHDSKFASA-N 2 1 299.462 2.476 20 0 CEADMP CC1CC[NH+](CCCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169092403 811384448 /nfs/dbraw/zinc/38/44/48/811384448.db2.gz BQOUXBVIWPYXSK-OSYLJGHBSA-N 2 1 279.472 2.323 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169123018 811390150 /nfs/dbraw/zinc/39/01/50/811390150.db2.gz HKLGBOKQAFPFSR-QMIVOQANSA-N 2 1 252.402 2.159 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)CCO1 ZINC001172543736 815465985 /nfs/dbraw/zinc/46/59/85/815465985.db2.gz RXMRJSFSVQBJQJ-IKGGRYGDSA-N 2 1 274.408 2.372 20 0 CEADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)CCO1 ZINC001172543736 815465988 /nfs/dbraw/zinc/46/59/88/815465988.db2.gz RXMRJSFSVQBJQJ-IKGGRYGDSA-N 2 1 274.408 2.372 20 0 CEADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169797394 811664626 /nfs/dbraw/zinc/66/46/26/811664626.db2.gz FMARWKVUBUIJHB-HZPDHXFCSA-N 2 1 295.471 2.311 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2OCC3)CCC[C@@H]1C[NH3+] ZINC001206022300 811686302 /nfs/dbraw/zinc/68/63/02/811686302.db2.gz BRNZXRTZFYXRRJ-UKRRQHHQSA-N 2 1 274.408 2.428 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1F ZINC001206024400 811701577 /nfs/dbraw/zinc/70/15/77/811701577.db2.gz JJUBEEBSTGYPEV-YPMHNXCESA-N 2 1 265.376 2.336 20 0 CEADMP CCC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046742343 811809380 /nfs/dbraw/zinc/80/93/80/811809380.db2.gz PPXXSMDAXIFFLM-KRWDZBQOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109729199 811934020 /nfs/dbraw/zinc/93/40/20/811934020.db2.gz YOKPOAUPBAFJFH-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109729199 811934026 /nfs/dbraw/zinc/93/40/26/811934026.db2.gz YOKPOAUPBAFJFH-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109729199 811934031 /nfs/dbraw/zinc/93/40/31/811934031.db2.gz YOKPOAUPBAFJFH-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156889607 811939670 /nfs/dbraw/zinc/93/96/70/811939670.db2.gz AADQQRVEVHZUGV-ZBFHGGJFSA-N 2 1 297.487 2.201 20 0 CEADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156889607 811939674 /nfs/dbraw/zinc/93/96/74/811939674.db2.gz AADQQRVEVHZUGV-ZBFHGGJFSA-N 2 1 297.487 2.201 20 0 CEADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156889607 811939680 /nfs/dbraw/zinc/93/96/80/811939680.db2.gz AADQQRVEVHZUGV-ZBFHGGJFSA-N 2 1 297.487 2.201 20 0 CEADMP Cc1[nH+]c(N)ccc1CNc1cc2[nH]ccc2c[nH+]1 ZINC001156974636 811976854 /nfs/dbraw/zinc/97/68/54/811976854.db2.gz PWCVBHNLLPJSKA-UHFFFAOYSA-N 2 1 253.309 2.461 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](C)CC ZINC001110016235 811984498 /nfs/dbraw/zinc/98/44/98/811984498.db2.gz FMLQRUFKPYMNRI-FZKCQIBNSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)CC ZINC001110016235 811984504 /nfs/dbraw/zinc/98/45/04/811984504.db2.gz FMLQRUFKPYMNRI-FZKCQIBNSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC ZINC001110016235 811984509 /nfs/dbraw/zinc/98/45/09/811984509.db2.gz FMLQRUFKPYMNRI-FZKCQIBNSA-N 2 1 295.471 2.096 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1C ZINC001206172615 815488465 /nfs/dbraw/zinc/48/84/65/815488465.db2.gz BEQINXXVVXKNPS-ZIAGYGMSSA-N 2 1 266.360 2.265 20 0 CEADMP CC(C)CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001170090194 812126547 /nfs/dbraw/zinc/12/65/47/812126547.db2.gz IQIANEWKIKSIDV-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001170090194 812126551 /nfs/dbraw/zinc/12/65/51/812126551.db2.gz IQIANEWKIKSIDV-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CCCC[NH+]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001113341082 812223701 /nfs/dbraw/zinc/22/37/01/812223701.db2.gz JYGURPQWARMHBQ-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001113499386 812263639 /nfs/dbraw/zinc/26/36/39/812263639.db2.gz WTEOKHHLYBADAG-MRXNPFEDSA-N 2 1 297.487 2.155 20 0 CEADMP C[NH+]1CC(CNc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)C1 ZINC001170253689 812372727 /nfs/dbraw/zinc/37/27/27/812372727.db2.gz ARAJAUPENXYMNX-UHFFFAOYSA-N 2 1 292.383 2.402 20 0 CEADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001170410714 812407325 /nfs/dbraw/zinc/40/73/25/812407325.db2.gz GKBWFTHUGMUEPX-HUUCEWRRSA-N 2 1 290.407 2.278 20 0 CEADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C(C)(C)C[NH3+] ZINC001170414035 812409587 /nfs/dbraw/zinc/40/95/87/812409587.db2.gz XZNIJGVLWRJJLC-GFCCVEGCSA-N 2 1 264.369 2.063 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](C(C)C)CC1 ZINC001052956541 812477711 /nfs/dbraw/zinc/47/77/11/812477711.db2.gz UQAPANOWULWZOT-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC001052956541 812477714 /nfs/dbraw/zinc/47/77/14/812477714.db2.gz UQAPANOWULWZOT-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C(C)C)CC1 ZINC001052956541 812477717 /nfs/dbraw/zinc/47/77/17/812477717.db2.gz UQAPANOWULWZOT-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC001172806182 815533073 /nfs/dbraw/zinc/53/30/73/815533073.db2.gz GHZLPITUFJIVCJ-HLLBOEOZSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC001172806182 815533077 /nfs/dbraw/zinc/53/30/77/815533077.db2.gz GHZLPITUFJIVCJ-HLLBOEOZSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001172806182 815533081 /nfs/dbraw/zinc/53/30/81/815533081.db2.gz GHZLPITUFJIVCJ-HLLBOEOZSA-N 2 1 294.439 2.136 20 0 CEADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC1CC(C)(C)C1 ZINC001129839529 812515268 /nfs/dbraw/zinc/51/52/68/812515268.db2.gz BFOAJSXCZHZOCC-HNNXBMFYSA-N 2 1 295.471 2.003 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130188741 812540875 /nfs/dbraw/zinc/54/08/75/812540875.db2.gz IKQBGTWWHWEILY-HZPDHXFCSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCCC(C)(C)C ZINC001130299954 812554231 /nfs/dbraw/zinc/55/42/31/812554231.db2.gz GCIAGQIYHJFCEX-CQSZACIVSA-N 2 1 283.460 2.003 20 0 CEADMP CCC/C=C/CC[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130425015 812566158 /nfs/dbraw/zinc/56/61/58/812566158.db2.gz KBXKWUYPMXVFLT-MDZDMXLPSA-N 2 1 283.460 2.169 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(OC)cc1C ZINC001206182506 815542001 /nfs/dbraw/zinc/54/20/01/815542001.db2.gz ANTGQBWTPFNDHE-ZIAGYGMSSA-N 2 1 296.386 2.273 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(OC)cc1C ZINC001206182506 815542006 /nfs/dbraw/zinc/54/20/06/815542006.db2.gz ANTGQBWTPFNDHE-ZIAGYGMSSA-N 2 1 296.386 2.273 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152740 812791281 /nfs/dbraw/zinc/79/12/81/812791281.db2.gz IIQDNPSQOBYKCE-CABCVRRESA-N 2 1 297.487 2.486 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132152740 812791284 /nfs/dbraw/zinc/79/12/84/812791284.db2.gz IIQDNPSQOBYKCE-CABCVRRESA-N 2 1 297.487 2.486 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132152740 812791287 /nfs/dbraw/zinc/79/12/87/812791287.db2.gz IIQDNPSQOBYKCE-CABCVRRESA-N 2 1 297.487 2.486 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309955 812826651 /nfs/dbraw/zinc/82/66/51/812826651.db2.gz HBFMTMUKFHWEEE-LSDHHAIUSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309955 812826661 /nfs/dbraw/zinc/82/66/61/812826661.db2.gz HBFMTMUKFHWEEE-LSDHHAIUSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309955 812826672 /nfs/dbraw/zinc/82/66/72/812826672.db2.gz HBFMTMUKFHWEEE-LSDHHAIUSA-N 2 1 297.487 2.343 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC)C1 ZINC001132364203 812834304 /nfs/dbraw/zinc/83/43/04/812834304.db2.gz ASJKEXBUUVSMFN-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC)C1 ZINC001132364203 812834314 /nfs/dbraw/zinc/83/43/14/812834314.db2.gz ASJKEXBUUVSMFN-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC)C1 ZINC001132364201 812835238 /nfs/dbraw/zinc/83/52/38/812835238.db2.gz ASJKEXBUUVSMFN-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC)C1 ZINC001132364201 812835245 /nfs/dbraw/zinc/83/52/45/812835245.db2.gz ASJKEXBUUVSMFN-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001100185858 812836910 /nfs/dbraw/zinc/83/69/10/812836910.db2.gz QHYVZLLIWGBWCW-GPANFISMSA-N 2 1 295.471 2.001 20 0 CEADMP CCCCC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132377562 812838363 /nfs/dbraw/zinc/83/83/63/812838363.db2.gz YIWYGJVRVAYDGP-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132432584 812848743 /nfs/dbraw/zinc/84/87/43/812848743.db2.gz DWWCKKVZLNZAFK-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC/C=C\CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001132737753 812935150 /nfs/dbraw/zinc/93/51/50/812935150.db2.gz PGIGNYIKWUDQLE-OGZRUICASA-N 2 1 295.471 2.171 20 0 CEADMP CC/C=C/CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001132737749 812935414 /nfs/dbraw/zinc/93/54/14/812935414.db2.gz PGIGNYIKWUDQLE-JFDDCEBESA-N 2 1 295.471 2.171 20 0 CEADMP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001086694469 812945227 /nfs/dbraw/zinc/94/52/27/812945227.db2.gz UCYKMUXGOCJBFO-XHSDSOJGSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886470 812956386 /nfs/dbraw/zinc/95/63/86/812956386.db2.gz NUCDGADTVOTHIO-PMPSAXMXSA-N 2 1 297.487 2.105 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(C)C)C1 ZINC001133229672 813013209 /nfs/dbraw/zinc/01/32/09/813013209.db2.gz LULIPEUQSMOQJI-JKSUJKDBSA-N 2 1 297.487 2.058 20 0 CEADMP CC(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133345648 813034406 /nfs/dbraw/zinc/03/44/06/813034406.db2.gz FXKWDDVOWYMOAJ-HZPDHXFCSA-N 2 1 297.487 2.057 20 0 CEADMP C[C@@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608655 813298043 /nfs/dbraw/zinc/29/80/43/813298043.db2.gz YWGSAPWMECENBG-KBPBESRZSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC1CCC1 ZINC001134608656 813298089 /nfs/dbraw/zinc/29/80/89/813298089.db2.gz YWGSAPWMECENBG-KGLIPLIRSA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@H](C)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134762955 813322191 /nfs/dbraw/zinc/32/21/91/813322191.db2.gz ITIAXHCGUQMDDV-LSDHHAIUSA-N 2 1 283.460 2.001 20 0 CEADMP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773375 813322719 /nfs/dbraw/zinc/32/27/19/813322719.db2.gz ODHPRWCTNLOTFU-UONOGXRCSA-N 2 1 285.476 2.390 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135102931 813366439 /nfs/dbraw/zinc/36/64/39/813366439.db2.gz QRIGOEIBHIOVRJ-HZPDHXFCSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001135861658 813550053 /nfs/dbraw/zinc/55/00/53/813550053.db2.gz VEWNXFNHFDDCNF-CABCVRRESA-N 2 1 297.487 2.391 20 0 CEADMP CC[C@@]([NH3+])(CO)Nc1cc[nH+]c2ccc(C(F)(F)F)cc12 ZINC001170863966 813562305 /nfs/dbraw/zinc/56/23/05/813562305.db2.gz PYVIEHRXOCPVMG-ZDUSSCGKSA-N 2 1 299.296 2.145 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000397287076 813609404 /nfs/dbraw/zinc/60/94/04/813609404.db2.gz VJHLCCPNNLOPOQ-LUYZLQTOSA-N 2 1 262.397 2.025 20 0 CEADMP C[C@@H]([NH3+])CCNc1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC001170890304 813619050 /nfs/dbraw/zinc/61/90/50/813619050.db2.gz WRGHPTUOANWWGM-TZMCWYRMSA-N 2 1 262.401 2.388 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CC1(C)C ZINC000397609771 813629814 /nfs/dbraw/zinc/62/98/14/813629814.db2.gz HKVUCRNHHWSIDZ-KBXIAJHMSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CC1(C)C ZINC000397609771 813629817 /nfs/dbraw/zinc/62/98/17/813629817.db2.gz HKVUCRNHHWSIDZ-KBXIAJHMSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H]1C[C@H](NCCC(C)(C)[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398162512 813660394 /nfs/dbraw/zinc/66/03/94/813660394.db2.gz CMZFVFSADWLEFR-HOCLYGCPSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])CN1Cc1ccccc1 ZINC000398162512 813660399 /nfs/dbraw/zinc/66/03/99/813660399.db2.gz CMZFVFSADWLEFR-HOCLYGCPSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)CC[C@H]1[NH3+] ZINC000399255506 813705008 /nfs/dbraw/zinc/70/50/08/813705008.db2.gz LUJKLKNFHMKLCG-OPRDCNLKSA-N 2 1 251.201 2.239 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000399499442 813712417 /nfs/dbraw/zinc/71/24/17/813712417.db2.gz JFAOYFHAVQALEW-KGLIPLIRSA-N 2 1 256.434 2.057 20 0 CEADMP C[C@@H](Cc1cccc(F)c1)[NH2+][C@]1(C)CCC[NH2+]C1 ZINC001246190634 813725139 /nfs/dbraw/zinc/72/51/39/813725139.db2.gz QNENLWXAXSHSGH-SWLSCSKDSA-N 2 1 250.361 2.488 20 0 CEADMP Fc1cccc2c1C[C@@H]([N@H+]1CCc3[nH+]ccn3CC1)CC2 ZINC001171006830 813740504 /nfs/dbraw/zinc/74/05/04/813740504.db2.gz ZUVVDQPBOVWHRC-AWEZNQCLSA-N 2 1 285.366 2.438 20 0 CEADMP Fc1cccc2c1C[C@@H]([N@@H+]1CCc3[nH+]ccn3CC1)CC2 ZINC001171006830 813740506 /nfs/dbraw/zinc/74/05/06/813740506.db2.gz ZUVVDQPBOVWHRC-AWEZNQCLSA-N 2 1 285.366 2.438 20 0 CEADMP COc1ccc(C2([NH2+][C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC001246359374 813799780 /nfs/dbraw/zinc/79/97/80/813799780.db2.gz AFVLEIWNZINMEK-TZMCWYRMSA-N 2 1 260.381 2.414 20 0 CEADMP CC[C@@]1(C[NH2+][C@@H]2Cc3cccc(F)c3C2)CCC[NH2+]1 ZINC001246457836 813832985 /nfs/dbraw/zinc/83/29/85/813832985.db2.gz VMMXWIUCMUKJFF-CJNGLKHVSA-N 2 1 262.372 2.415 20 0 CEADMP C[N@@H+](Cc1nc(C(F)(F)F)c[nH]1)CC1CC[NH+](C)CC1 ZINC001137016290 813834156 /nfs/dbraw/zinc/83/41/56/813834156.db2.gz QMQKWVZYINVBQJ-UHFFFAOYSA-N 2 1 290.333 2.202 20 0 CEADMP C[N@H+](Cc1nc(C(F)(F)F)c[nH]1)CC1CC[NH+](C)CC1 ZINC001137016290 813834167 /nfs/dbraw/zinc/83/41/67/813834167.db2.gz QMQKWVZYINVBQJ-UHFFFAOYSA-N 2 1 290.333 2.202 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]2C1 ZINC001137029412 813843237 /nfs/dbraw/zinc/84/32/37/813843237.db2.gz XFAUQNAHFYBNGP-HDICACEKSA-N 2 1 286.419 2.490 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]2C1 ZINC001137029412 813843247 /nfs/dbraw/zinc/84/32/47/813843247.db2.gz XFAUQNAHFYBNGP-HDICACEKSA-N 2 1 286.419 2.490 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@@H]2C1 ZINC001137029412 813843260 /nfs/dbraw/zinc/84/32/60/813843260.db2.gz XFAUQNAHFYBNGP-HDICACEKSA-N 2 1 286.419 2.490 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@@H]2C1 ZINC001137029412 813843270 /nfs/dbraw/zinc/84/32/70/813843270.db2.gz XFAUQNAHFYBNGP-HDICACEKSA-N 2 1 286.419 2.490 20 0 CEADMP CC[C@]1([NH2+][C@H](C)Cc2ccccc2F)CC[NH2+]C1 ZINC001246467146 813855240 /nfs/dbraw/zinc/85/52/40/813855240.db2.gz YWAOVFZAQXJNPL-DOMZBBRYSA-N 2 1 250.361 2.488 20 0 CEADMP CCCC(C[NH3+])(CCC)[NH2+][C@H]1CCN(C(=O)OCC)C1 ZINC001246494522 813864998 /nfs/dbraw/zinc/86/49/98/813864998.db2.gz HBQODGIVXZQEPK-ZDUSSCGKSA-N 2 1 285.432 2.105 20 0 CEADMP CCCCCC[C@@H](CCC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246496982 813866681 /nfs/dbraw/zinc/86/66/81/813866681.db2.gz NOPCMDIPJDVNRC-HUUCEWRRSA-N 2 1 255.450 2.277 20 0 CEADMP C[C@@]1([NH3+])CCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)CC1 ZINC001246547833 813979162 /nfs/dbraw/zinc/97/91/62/813979162.db2.gz CYTZHLQSXPMVGX-HWOWSKLDSA-N 3 1 265.445 2.112 20 0 CEADMP C[C@@H]1CC[N@H+](C2CCC3(COC3)CC2)CC[C@@H]1C[NH3+] ZINC001246559049 814041385 /nfs/dbraw/zinc/04/13/85/814041385.db2.gz OJXPACIFMNRUDO-ZIAGYGMSSA-N 2 1 266.429 2.252 20 0 CEADMP CCOC(=O)CCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246568545 814068086 /nfs/dbraw/zinc/06/80/86/814068086.db2.gz PEVHZIDDEYEFNS-ILXRZTDVSA-N 2 1 284.444 2.415 20 0 CEADMP CC[C@@H]1C[C@H]([N@@H+]2CC[C@](N)(C(F)(F)F)C2)C[C@H](CC)[NH2+]1 ZINC001246570312 814081666 /nfs/dbraw/zinc/08/16/66/814081666.db2.gz PARVJUKLMBYSBZ-MROQNXINSA-N 2 1 293.377 2.261 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@](N)(C(F)(F)F)C2)C[C@H](CC)[NH2+]1 ZINC001246570312 814081673 /nfs/dbraw/zinc/08/16/73/814081673.db2.gz PARVJUKLMBYSBZ-MROQNXINSA-N 2 1 293.377 2.261 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246571309 814093483 /nfs/dbraw/zinc/09/34/83/814093483.db2.gz BBSKBOMZZXHGOS-JJXSEGSLSA-N 3 1 265.445 2.110 20 0 CEADMP CCOC(=O)N1CCC([N@H+]2CCCC[C@](C)(C[NH3+])C2)CC1 ZINC001246579646 814141257 /nfs/dbraw/zinc/14/12/57/814141257.db2.gz GBPWZRZKPBAOOE-MRXNPFEDSA-N 2 1 297.443 2.058 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H](C[NH3+])C2)C1 ZINC001246585601 814167850 /nfs/dbraw/zinc/16/78/50/814167850.db2.gz YEWPWDNDSBLNSH-RBSFLKMASA-N 2 1 282.428 2.169 20 0 CEADMP [NH3+]C[C@H]1CCCC[N@H+](C2CCN(CC(F)(F)F)CC2)C1 ZINC001246585520 814168174 /nfs/dbraw/zinc/16/81/74/814168174.db2.gz XTENFBLBEVESAB-GFCCVEGCSA-N 2 1 293.377 2.074 20 0 CEADMP CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001091267343 814202256 /nfs/dbraw/zinc/20/22/56/814202256.db2.gz JVDASGMAQAPHLL-UYSNPLJNSA-N 2 1 295.471 2.144 20 0 CEADMP CCCCCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101037815 814215988 /nfs/dbraw/zinc/21/59/88/814215988.db2.gz XWEMLGCKUAKVJB-UHFFFAOYSA-N 2 1 297.487 2.391 20 0 CEADMP CCCC1CCC([N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001246624796 814223687 /nfs/dbraw/zinc/22/36/87/814223687.db2.gz PCEBZPGOKLXXQA-GYTBAZASSA-N 2 1 266.429 2.266 20 0 CEADMP CCCC[C@@H](CC(C)C)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246857503 814296439 /nfs/dbraw/zinc/29/64/39/814296439.db2.gz ADNBHNXVCGLWGT-QGPPMGRFSA-N 2 1 268.445 2.497 20 0 CEADMP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146601153 814297933 /nfs/dbraw/zinc/29/79/33/814297933.db2.gz KNHISGRSAVDHLH-LSDHHAIUSA-N 2 1 285.476 2.390 20 0 CEADMP C1CC1[N@H+]([C@@H]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCCNC1 ZINC001246913879 814391000 /nfs/dbraw/zinc/39/10/00/814391000.db2.gz IHIQKRLJIVOBEU-HZPDHXFCSA-N 2 1 277.456 2.125 20 0 CEADMP C1CC1[N@@H+]([C@@H]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCCNC1 ZINC001246913879 814391009 /nfs/dbraw/zinc/39/10/09/814391009.db2.gz IHIQKRLJIVOBEU-HZPDHXFCSA-N 2 1 277.456 2.125 20 0 CEADMP CN(CC[N@@H+](C)Cc1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC001246919805 814407888 /nfs/dbraw/zinc/40/78/88/814407888.db2.gz LDOANSHLHMLFCE-QGZVFWFLSA-N 2 1 275.440 2.192 20 0 CEADMP CCCCC[N@@H+](C)CCC(=O)N(C)[C@H]1CCCC[C@H]1[NH3+] ZINC001161060763 814498326 /nfs/dbraw/zinc/49/83/26/814498326.db2.gz CVMCVWHRAKZYFV-CABCVRRESA-N 2 1 283.460 2.227 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(C)C)C[C@H]1C ZINC001103665745 814516028 /nfs/dbraw/zinc/51/60/28/814516028.db2.gz RXAFGDAWULEIRP-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C ZINC001103665745 814516033 /nfs/dbraw/zinc/51/60/33/814516033.db2.gz RXAFGDAWULEIRP-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103665745 814516040 /nfs/dbraw/zinc/51/60/40/814516040.db2.gz RXAFGDAWULEIRP-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000697042259 814645132 /nfs/dbraw/zinc/64/51/32/814645132.db2.gz OINRYRNJAKERHL-GDBMZVCRSA-N 2 1 266.429 2.410 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H](O)CC[C@H]2C)CC1 ZINC001173110339 815582723 /nfs/dbraw/zinc/58/27/23/815582723.db2.gz RTTMTGNANBFFLG-LMPOIIKSSA-N 2 1 268.445 2.485 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](OC)C2)CC1 ZINC001173110900 815584687 /nfs/dbraw/zinc/58/46/87/815584687.db2.gz ZWCUMJFVVMPKJB-YMAMQOFZSA-N 2 1 254.418 2.360 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCC3(CCC3)O2)C[C@@H]1C(F)(F)F ZINC000712485326 814750054 /nfs/dbraw/zinc/75/00/54/814750054.db2.gz MQZAYQLZQCJCEE-WOPDTQHZSA-N 2 1 292.345 2.157 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)C[C@@H]1C(F)(F)F ZINC000712485326 814750058 /nfs/dbraw/zinc/75/00/58/814750058.db2.gz MQZAYQLZQCJCEE-WOPDTQHZSA-N 2 1 292.345 2.157 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+](Cc2scnc2Cl)CC1 ZINC000713483324 814858876 /nfs/dbraw/zinc/85/88/76/814858876.db2.gz BYCPJEUORCQZOJ-QMMMGPOBSA-N 2 1 259.806 2.356 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@H]2CCCC(C)(C)O2)[C@H]1C[NH3+] ZINC000714379994 814891893 /nfs/dbraw/zinc/89/18/93/814891893.db2.gz MSDAZSYLYPWCMP-MCIONIFRSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)O2)[C@H]1C[NH3+] ZINC000714379994 814891899 /nfs/dbraw/zinc/89/18/99/814891899.db2.gz MSDAZSYLYPWCMP-MCIONIFRSA-N 2 1 254.418 2.393 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)O2)CC[C@@H]1[NH3+] ZINC000714369558 814899854 /nfs/dbraw/zinc/89/98/54/814899854.db2.gz WMECBEQFTFMWLQ-MCIONIFRSA-N 2 1 254.418 2.393 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714418172 814901436 /nfs/dbraw/zinc/90/14/36/814901436.db2.gz PPQJJHQQBGPHSA-UHFFFAOYSA-N 3 1 278.444 2.279 20 0 CEADMP Cc1ccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000714993782 814920927 /nfs/dbraw/zinc/92/09/27/814920927.db2.gz FDTLELJDLJHWLK-DOTOQJQBSA-N 2 1 274.408 2.448 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)CO2 ZINC001173151728 815608956 /nfs/dbraw/zinc/60/89/56/815608956.db2.gz WSRDWIGCMCSXFI-UONOGXRCSA-N 2 1 290.407 2.073 20 0 CEADMP CC[N@@H+]1CC[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC001173360507 815701210 /nfs/dbraw/zinc/70/12/10/815701210.db2.gz PJOSOKXQPUGHOY-AIADIJKESA-N 2 1 299.462 2.412 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC001173360507 815701215 /nfs/dbraw/zinc/70/12/15/815701215.db2.gz PJOSOKXQPUGHOY-AIADIJKESA-N 2 1 299.462 2.412 20 0 CEADMP COc1ccc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206199060 815711046 /nfs/dbraw/zinc/71/10/46/815711046.db2.gz NOEWKPMGSKQOOR-HUUCEWRRSA-N 2 1 266.360 2.265 20 0 CEADMP CCOC(=O)[C@H]1CC12CCC([NH2+]C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001173598461 815757267 /nfs/dbraw/zinc/75/72/67/815757267.db2.gz FSAUOUFSDHNHCL-HCEZTOJASA-N 2 1 294.439 2.040 20 0 CEADMP CC(=O)[C@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001138771806 815891743 /nfs/dbraw/zinc/89/17/43/815891743.db2.gz DYQGHXYTDSGZOE-INIZCTEOSA-N 2 1 290.407 2.038 20 0 CEADMP CC(C)[N@@H+](CCCO)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138772534 815892062 /nfs/dbraw/zinc/89/20/62/815892062.db2.gz NZSZGPUFFFPEGR-UHFFFAOYSA-N 2 1 294.439 2.220 20 0 CEADMP O[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@H]1F ZINC001139356474 816011119 /nfs/dbraw/zinc/01/11/19/816011119.db2.gz MLJYMRZFBKDFJF-CVEARBPZSA-N 2 1 289.354 2.167 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CCC[C@H]1O ZINC001139355841 816011746 /nfs/dbraw/zinc/01/17/46/816011746.db2.gz CDAHUHNDWVWPSL-RHSMWYFYSA-N 2 1 285.391 2.465 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC)C1 ZINC001174879970 816105168 /nfs/dbraw/zinc/10/51/68/816105168.db2.gz AUJQVBKOLPXZRI-HOTGVXAUSA-N 2 1 297.487 2.393 20 0 CEADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001140030148 816170263 /nfs/dbraw/zinc/17/02/63/816170263.db2.gz XEJVZUUZZLRMIG-INIZCTEOSA-N 2 1 282.391 2.071 20 0 CEADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@H+]2CC[C@H]2C1 ZINC001140030148 816170268 /nfs/dbraw/zinc/17/02/68/816170268.db2.gz XEJVZUUZZLRMIG-INIZCTEOSA-N 2 1 282.391 2.071 20 0 CEADMP C[C@H]1C[N@@H+](C[Si](C)(C)C)CCN1c1cc[nH+]cc1 ZINC001175770428 816282048 /nfs/dbraw/zinc/28/20/48/816282048.db2.gz ZQXWKVRFXWDDFB-ZDUSSCGKSA-N 2 1 263.461 2.470 20 0 CEADMP CC[N@@H+]1C[C@H]2CN(Cc3cc(Cl)ccc3N)C[C@H]2C1 ZINC001140719241 816334115 /nfs/dbraw/zinc/33/41/15/816334115.db2.gz BWRRTCLLUOQVEF-BETUJISGSA-N 2 1 279.815 2.306 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1CN1CC[NH+](C2CCC2)CC1 ZINC001140802166 816363527 /nfs/dbraw/zinc/36/35/27/816363527.db2.gz PMHAMXAUPHSQHP-UHFFFAOYSA-N 2 1 270.380 2.233 20 0 CEADMP Nc1cn[nH+]cc1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001176196121 816363743 /nfs/dbraw/zinc/36/37/43/816363743.db2.gz QXXXXWNXOMQSRE-UHFFFAOYSA-N 2 1 269.352 2.398 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140804765 816364729 /nfs/dbraw/zinc/36/47/29/816364729.db2.gz DIOLMRMXEMKPMV-CQSZACIVSA-N 2 1 272.396 2.479 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001176284488 816377389 /nfs/dbraw/zinc/37/73/89/816377389.db2.gz IICNMZQHTSRIPI-OAHLLOKOSA-N 2 1 297.487 2.393 20 0 CEADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](F)C2)CC1 ZINC001140972832 816428303 /nfs/dbraw/zinc/42/83/03/816428303.db2.gz ARUWBRPAOYXJTF-MRXNPFEDSA-N 2 1 291.414 2.372 20 0 CEADMP c1cn2ccc(CN3CCc4cnccc4C3)cc2n1 ZINC001141042022 816457405 /nfs/dbraw/zinc/45/74/05/816457405.db2.gz BXQBASCTAZCSTM-UHFFFAOYSA-N 2 1 264.332 2.288 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176760386 816474534 /nfs/dbraw/zinc/47/45/34/816474534.db2.gz WKYWBLYAQJDVMA-GJZGRUSLSA-N 2 1 283.460 2.145 20 0 CEADMP CC/C=C/CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176986400 816502457 /nfs/dbraw/zinc/50/24/57/816502457.db2.gz MXKTWXKCMJBINO-SQRWCISFSA-N 2 1 295.471 2.313 20 0 CEADMP c1c(C[NH2+]CCC[NH+]2CCCCC2)[nH]nc1-c1ccccn1 ZINC001177136017 816524960 /nfs/dbraw/zinc/52/49/60/816524960.db2.gz DPMIZZDZXQUUOH-UHFFFAOYSA-N 2 1 299.422 2.437 20 0 CEADMP Cc1ncc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cn1 ZINC001203111607 816554696 /nfs/dbraw/zinc/55/46/96/816554696.db2.gz MBHYLMDRPXPDKA-UHFFFAOYSA-N 2 1 276.428 2.337 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC001177724624 816606324 /nfs/dbraw/zinc/60/63/24/816606324.db2.gz DZMLRHZZVAXLQL-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045403 816663752 /nfs/dbraw/zinc/66/37/52/816663752.db2.gz KKFLUDWWRHTMNF-HNNXBMFYSA-N 2 1 283.460 2.147 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc4[nH]cnc43)C2)C1 ZINC001142692676 816711870 /nfs/dbraw/zinc/71/18/70/816711870.db2.gz JTYJHPLVKKNWTD-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP c1cn2cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)ccc2n1 ZINC001143019101 816772625 /nfs/dbraw/zinc/77/26/25/816772625.db2.gz WRUWDAUACOPOBR-UHFFFAOYSA-N 2 1 293.374 2.052 20 0 CEADMP C[N@H+](Cc1cccc2n[nH]cc21)C1CC[NH+](C)CC1 ZINC001143087433 816781980 /nfs/dbraw/zinc/78/19/80/816781980.db2.gz MBZZASBYCRBGTE-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP C[N@@H+](Cc1cccc2n[nH]cc21)C1CC[NH+](C)CC1 ZINC001143087433 816781983 /nfs/dbraw/zinc/78/19/83/816781983.db2.gz MBZZASBYCRBGTE-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc3c(c2)CCN3)C1 ZINC001206369268 816834644 /nfs/dbraw/zinc/83/46/44/816834644.db2.gz AQKRBGQKAITUCD-INIZCTEOSA-N 2 1 277.387 2.308 20 0 CEADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc3c(c2)CCN3)C1 ZINC001206369268 816834653 /nfs/dbraw/zinc/83/46/53/816834653.db2.gz AQKRBGQKAITUCD-INIZCTEOSA-N 2 1 277.387 2.308 20 0 CEADMP CCCn1cc(C[NH2+]CC[C@H](C)[NH+](C)C)c(C)n1 ZINC001179265878 816845935 /nfs/dbraw/zinc/84/59/35/816845935.db2.gz DZWZPVQXGVTLQP-LBPRGKRZSA-N 2 1 252.406 2.031 20 0 CEADMP CCC[NH2+][C@@H](C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000449083078 282093264 /nfs/dbraw/zinc/09/32/64/282093264.db2.gz AKVBQKVOUQRYFC-GJZGRUSLSA-N 2 1 283.460 2.003 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449089633 282095570 /nfs/dbraw/zinc/09/55/70/282095570.db2.gz DMEUGNDNLTWUMH-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH2+]CCC ZINC000449110516 282103626 /nfs/dbraw/zinc/10/36/26/282103626.db2.gz DOYNSVMGCOVVKK-CABCVRRESA-N 2 1 283.460 2.145 20 0 CEADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000127746595 187330204 /nfs/dbraw/zinc/33/02/04/187330204.db2.gz BDCNTANGPNWSAO-RRFJBIMHSA-N 2 1 277.412 2.099 20 0 CEADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000127746595 187330205 /nfs/dbraw/zinc/33/02/05/187330205.db2.gz BDCNTANGPNWSAO-RRFJBIMHSA-N 2 1 277.412 2.099 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000449122544 282108477 /nfs/dbraw/zinc/10/84/77/282108477.db2.gz LQNRGAXUJYSMNL-QLFBSQMISA-N 2 1 297.487 2.390 20 0 CEADMP C[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000449120109 282107273 /nfs/dbraw/zinc/10/72/73/282107273.db2.gz BQUXNPGFVIIUEX-AWEZNQCLSA-N 2 1 297.487 2.343 20 0 CEADMP CCC(CC)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000336790783 282122205 /nfs/dbraw/zinc/12/22/05/282122205.db2.gz MEWKGOFWCOYWJB-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000125574708 365678670 /nfs/dbraw/zinc/67/86/70/365678670.db2.gz XWXCSAXBCJXLHJ-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000125574708 365678674 /nfs/dbraw/zinc/67/86/74/365678674.db2.gz XWXCSAXBCJXLHJ-BZUAXINKSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000125574708 365678680 /nfs/dbraw/zinc/67/86/80/365678680.db2.gz XWXCSAXBCJXLHJ-BZUAXINKSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCOC2CCCC2)CC[N@H+]1C ZINC000125230590 187175182 /nfs/dbraw/zinc/17/51/82/187175182.db2.gz JAMRWZFOWDDTKH-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP COC(=O)c1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601334806 346823805 /nfs/dbraw/zinc/82/38/05/346823805.db2.gz OGZPZWBGMFEBAQ-HOTGVXAUSA-N 2 1 288.391 2.047 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601334806 346823807 /nfs/dbraw/zinc/82/38/07/346823807.db2.gz OGZPZWBGMFEBAQ-HOTGVXAUSA-N 2 1 288.391 2.047 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000125831728 365687332 /nfs/dbraw/zinc/68/73/32/365687332.db2.gz TUDIKTFFNQDYDM-NCOADZHNSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CN[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000125831728 365687339 /nfs/dbraw/zinc/68/73/39/365687339.db2.gz TUDIKTFFNQDYDM-NCOADZHNSA-N 3 1 281.488 2.425 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CN[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000125831728 365687348 /nfs/dbraw/zinc/68/73/48/365687348.db2.gz TUDIKTFFNQDYDM-NCOADZHNSA-N 3 1 281.488 2.425 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000125831728 365687355 /nfs/dbraw/zinc/68/73/55/365687355.db2.gz TUDIKTFFNQDYDM-NCOADZHNSA-N 3 1 281.488 2.425 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000125831728 365687363 /nfs/dbraw/zinc/68/73/63/365687363.db2.gz TUDIKTFFNQDYDM-NCOADZHNSA-N 3 1 281.488 2.425 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000125831728 365687374 /nfs/dbraw/zinc/68/73/74/365687374.db2.gz TUDIKTFFNQDYDM-NCOADZHNSA-N 3 1 281.488 2.425 20 0 CEADMP c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc2c1OCO2 ZINC000037140934 361899546 /nfs/dbraw/zinc/89/95/46/361899546.db2.gz ZVUXWIHCCIWRMH-UHFFFAOYSA-N 2 1 274.364 2.132 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000037621744 361914206 /nfs/dbraw/zinc/91/42/06/361914206.db2.gz KGPKHQXNNSGAIV-HNNXBMFYSA-N 2 1 287.367 2.032 20 0 CEADMP CCc1ncc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000037924665 361964326 /nfs/dbraw/zinc/96/43/26/361964326.db2.gz WYVUYKPJOOBVEP-LLVKDONJSA-N 2 1 265.426 2.279 20 0 CEADMP CCc1ncc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000037924665 361964335 /nfs/dbraw/zinc/96/43/35/361964335.db2.gz WYVUYKPJOOBVEP-LLVKDONJSA-N 2 1 265.426 2.279 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCn2cc[nH+]c2C)C1(C)C ZINC000338013346 214361317 /nfs/dbraw/zinc/36/13/17/214361317.db2.gz SYTAAMKQTYBIPB-KWCYVHTRSA-N 2 1 265.401 2.231 20 0 CEADMP CN(Cc1ccccc1OC(F)F)CC1C[NH+](C)C1 ZINC000668537209 539192198 /nfs/dbraw/zinc/19/21/98/539192198.db2.gz AOEDKVJJZUHIKC-UHFFFAOYSA-N 2 1 270.323 2.281 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1)C1CCCC1 ZINC000621784427 349702118 /nfs/dbraw/zinc/70/21/18/349702118.db2.gz OSVPJJFLHUSSOJ-KFWWJZLASA-N 2 1 252.402 2.005 20 0 CEADMP CO[C@H](C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1)c1ccccc1 ZINC000621784326 349702315 /nfs/dbraw/zinc/70/23/15/349702315.db2.gz NIXSDIYURUFBKE-OAGGEKHMSA-N 2 1 260.381 2.187 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1)c1ccccc1 ZINC000621784326 349702318 /nfs/dbraw/zinc/70/23/18/349702318.db2.gz NIXSDIYURUFBKE-OAGGEKHMSA-N 2 1 260.381 2.187 20 0 CEADMP COc1ccccc1CCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784419 349702498 /nfs/dbraw/zinc/70/24/98/349702498.db2.gz OORFNQKTJPOHLM-RDJZCZTQSA-N 2 1 274.408 2.441 20 0 CEADMP COc1ccccc1CCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784419 349702499 /nfs/dbraw/zinc/70/24/99/349702499.db2.gz OORFNQKTJPOHLM-RDJZCZTQSA-N 2 1 274.408 2.441 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000261617693 539227575 /nfs/dbraw/zinc/22/75/75/539227575.db2.gz UGFCCOKMRZZODV-HUUCEWRRSA-N 2 1 260.381 2.187 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000261617693 539227576 /nfs/dbraw/zinc/22/75/76/539227576.db2.gz UGFCCOKMRZZODV-HUUCEWRRSA-N 2 1 260.381 2.187 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@]2(C)CCCC[NH2+]2)cn1 ZINC000237648998 282198579 /nfs/dbraw/zinc/19/85/79/282198579.db2.gz YVTACNQVKUCTKQ-INIZCTEOSA-N 2 1 299.378 2.046 20 0 CEADMP C([NH2+][C@H]1CO[C@@H](C2CC2)C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668817812 539277736 /nfs/dbraw/zinc/27/77/36/539277736.db2.gz AFGJVPKMVYGZDY-DJIMGWMZSA-N 2 1 278.440 2.266 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000449395799 282217483 /nfs/dbraw/zinc/21/74/83/282217483.db2.gz VYQVUFALYJHJDV-BZSNNMDCSA-N 2 1 288.435 2.461 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000311014985 539281794 /nfs/dbraw/zinc/28/17/94/539281794.db2.gz BATAFUGRYHVPPQ-KBPBESRZSA-N 3 1 255.450 2.035 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000311014985 539281796 /nfs/dbraw/zinc/28/17/96/539281796.db2.gz BATAFUGRYHVPPQ-KBPBESRZSA-N 3 1 255.450 2.035 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166497773 539285330 /nfs/dbraw/zinc/28/53/30/539285330.db2.gz CHXYCYXKGJPAED-IAGOWNOFSA-N 3 1 279.472 2.325 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000622133688 349799992 /nfs/dbraw/zinc/79/99/92/349799992.db2.gz GUSHGOVQYUFLLR-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000622133688 349799995 /nfs/dbraw/zinc/79/99/95/349799995.db2.gz GUSHGOVQYUFLLR-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000622133688 349799999 /nfs/dbraw/zinc/79/99/99/349799999.db2.gz GUSHGOVQYUFLLR-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccccc1 ZINC000042895005 362127918 /nfs/dbraw/zinc/12/79/18/362127918.db2.gz QHGQSSUDUGEYFW-FMKPAKJESA-N 2 1 262.397 2.384 20 0 CEADMP C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000043402190 362144183 /nfs/dbraw/zinc/14/41/83/362144183.db2.gz XLUJAMYYHBFWDI-GHMZBOCLSA-N 2 1 266.389 2.274 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@@H+](C)CCCN(C)CC[NH+](C)C)CCO1 ZINC000567794992 299092509 /nfs/dbraw/zinc/09/25/09/299092509.db2.gz SNOSQRIFCMERIJ-DLBZAZTESA-N 2 1 299.503 2.007 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000235734815 539299705 /nfs/dbraw/zinc/29/97/05/539299705.db2.gz LVLAPUSIYQRMEY-XJKSGUPXSA-N 2 1 260.381 2.223 20 0 CEADMP C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)C1CC[NH+](C)CC1 ZINC000675754338 539301511 /nfs/dbraw/zinc/30/15/11/539301511.db2.gz RBVJCUJHAKEEEK-CQSZACIVSA-N 2 1 279.472 2.181 20 0 CEADMP CC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126715361 187257860 /nfs/dbraw/zinc/25/78/60/187257860.db2.gz YGNYKWHHLCVSFS-OAHLLOKOSA-N 2 1 275.440 2.322 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2CCC(=O)CC2)CC1 ZINC000334584338 282255715 /nfs/dbraw/zinc/25/57/15/282255715.db2.gz VMXXEQIAZDFHMN-AWEZNQCLSA-N 2 1 252.402 2.162 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000351273730 219088409 /nfs/dbraw/zinc/08/84/09/219088409.db2.gz XKLZHHKFHXJBRC-SJORKVTESA-N 2 1 279.472 2.279 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCOCC2)C[C@@H]1C ZINC000336706417 365772390 /nfs/dbraw/zinc/77/23/90/365772390.db2.gz JWFMJBLDYILHLI-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCOCC2)C[C@@H]1C ZINC000336706417 365772395 /nfs/dbraw/zinc/77/23/95/365772395.db2.gz JWFMJBLDYILHLI-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCOCC2)C[C@@H]1C ZINC000336706417 365772398 /nfs/dbraw/zinc/77/23/98/365772398.db2.gz JWFMJBLDYILHLI-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1 ZINC000336712978 365775610 /nfs/dbraw/zinc/77/56/10/365775610.db2.gz SEJALYGFCDCBPB-UHFFFAOYSA-N 2 1 253.415 2.225 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1)C(C)C ZINC000126864128 187266606 /nfs/dbraw/zinc/26/66/06/187266606.db2.gz WBCAGAIKZBKWNS-INIZCTEOSA-N 2 1 289.423 2.009 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC000449560388 282283578 /nfs/dbraw/zinc/28/35/78/282283578.db2.gz KHUPTHOESMMKDP-YRUAKLFHSA-N 2 1 294.439 2.179 20 0 CEADMP CC(C)[NH+](CCN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C(C)C ZINC000128385611 365786857 /nfs/dbraw/zinc/78/68/57/365786857.db2.gz NLFYMRSVZZBPFW-LSDHHAIUSA-N 2 1 267.461 2.320 20 0 CEADMP C[NH+](C[C@@H]1CCOC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336725155 365787031 /nfs/dbraw/zinc/78/70/31/365787031.db2.gz XXHRWKGALIXPEN-ROUUACIJSA-N 2 1 288.435 2.477 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000063582127 343679435 /nfs/dbraw/zinc/67/94/35/343679435.db2.gz JADJHSOCRCPTFM-OWCLPIDISA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000063582127 343679436 /nfs/dbraw/zinc/67/94/36/343679436.db2.gz JADJHSOCRCPTFM-OWCLPIDISA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000063582127 343679437 /nfs/dbraw/zinc/67/94/37/343679437.db2.gz JADJHSOCRCPTFM-OWCLPIDISA-N 2 1 295.471 2.190 20 0 CEADMP COC(=O)c1coc([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000602022004 346962221 /nfs/dbraw/zinc/96/22/21/346962221.db2.gz QXNOHAIUBZTJFQ-AAEUAGOBSA-N 2 1 294.395 2.495 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc2c1OCCO2 ZINC000077329754 343916880 /nfs/dbraw/zinc/91/68/80/343916880.db2.gz QCYXUCKMNAHNSM-UHFFFAOYSA-N 2 1 287.363 2.143 20 0 CEADMP Cc1ccncc1CCC[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000449648287 282318723 /nfs/dbraw/zinc/31/87/23/282318723.db2.gz SDSALBFQOVLRRD-CVEARBPZSA-N 2 1 287.407 2.018 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4c[nH]nc43)CC[C@@H]21 ZINC000092043275 344175914 /nfs/dbraw/zinc/17/59/14/344175914.db2.gz KBMSVDLJXUQHKU-ZBFHGGJFSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4c[nH]nc43)CC[C@@H]21 ZINC000092043275 344175917 /nfs/dbraw/zinc/17/59/17/344175917.db2.gz KBMSVDLJXUQHKU-ZBFHGGJFSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4c[nH]nc43)CC[C@@H]21 ZINC000092043275 344175920 /nfs/dbraw/zinc/17/59/20/344175920.db2.gz KBMSVDLJXUQHKU-ZBFHGGJFSA-N 2 1 284.407 2.479 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Oc1ccccc1 ZINC000089721990 344128385 /nfs/dbraw/zinc/12/83/85/344128385.db2.gz RWABGOJDEWJMKU-FMKPAKJESA-N 2 1 262.397 2.384 20 0 CEADMP CC(C[NH+](C)[C@@H]1CCSC1)C[N@@H+](C)[C@@H]1CCSC1 ZINC000089936922 344132360 /nfs/dbraw/zinc/13/23/60/344132360.db2.gz SQVIEDYVDBROQT-ZIAGYGMSSA-N 2 1 288.526 2.497 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccncc2C)[C@H](C)C1 ZINC000090846738 344144378 /nfs/dbraw/zinc/14/43/78/344144378.db2.gz HCQLECBCZNYHJX-ZBFHGGJFSA-N 2 1 261.413 2.252 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000091284905 344160976 /nfs/dbraw/zinc/16/09/76/344160976.db2.gz ALQBPBYRKRDYAR-MRXNPFEDSA-N 2 1 279.428 2.337 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449685122 282330845 /nfs/dbraw/zinc/33/08/45/282330845.db2.gz RLPXFSOSMCCSPV-CQSZACIVSA-N 2 1 292.427 2.045 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c(OC)c1 ZINC000112800229 344275252 /nfs/dbraw/zinc/27/52/52/344275252.db2.gz KEXIPRJQFJBQAP-DGCLKSJQSA-N 2 1 264.369 2.015 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c(OC)c1 ZINC000112800229 344275254 /nfs/dbraw/zinc/27/52/54/344275254.db2.gz KEXIPRJQFJBQAP-DGCLKSJQSA-N 2 1 264.369 2.015 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000146575320 344410672 /nfs/dbraw/zinc/41/06/72/344410672.db2.gz LWYOACCRULPQJE-NEPJUHHUSA-N 2 1 258.287 2.256 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000146575320 344410674 /nfs/dbraw/zinc/41/06/74/344410674.db2.gz LWYOACCRULPQJE-NEPJUHHUSA-N 2 1 258.287 2.256 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000351597870 219138974 /nfs/dbraw/zinc/13/89/74/219138974.db2.gz UVAJKDACOOAQAL-ROUUACIJSA-N 2 1 288.435 2.052 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000351597870 219138976 /nfs/dbraw/zinc/13/89/76/219138976.db2.gz UVAJKDACOOAQAL-ROUUACIJSA-N 2 1 288.435 2.052 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@H+]1C ZINC000164948079 344473303 /nfs/dbraw/zinc/47/33/03/344473303.db2.gz ZBDLOIGMBZSCAS-HIFRSBDPSA-N 2 1 275.396 2.088 20 0 CEADMP CCc1ccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)o1 ZINC000051724737 362435566 /nfs/dbraw/zinc/43/55/66/362435566.db2.gz HZOLSQJOOCUGHL-QGZVFWFLSA-N 2 1 293.455 2.204 20 0 CEADMP C[C@@H](CC(=O)NCC[N@H+]1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000262676424 344655586 /nfs/dbraw/zinc/65/55/86/344655586.db2.gz SCVFSPLDKXLPNZ-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP COC(=O)c1[nH]c(C[NH2+]CCC[NH+]2CCCCC2)cc1C ZINC000602515421 347063413 /nfs/dbraw/zinc/06/34/13/347063413.db2.gz XWKPOIDSBRTTID-UHFFFAOYSA-N 2 1 293.411 2.075 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2ccnn2C)CC1 ZINC000351608002 219143414 /nfs/dbraw/zinc/14/34/14/219143414.db2.gz LLLSPDSFVAVYHL-UHFFFAOYSA-N 2 1 292.471 2.407 20 0 CEADMP C[C@@H](CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000312923863 344740369 /nfs/dbraw/zinc/74/03/69/344740369.db2.gz MVQMOPKBWHQBEF-YOEHRIQHSA-N 2 1 276.424 2.225 20 0 CEADMP C[C@@H](CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000312923863 344740370 /nfs/dbraw/zinc/74/03/70/344740370.db2.gz MVQMOPKBWHQBEF-YOEHRIQHSA-N 2 1 276.424 2.225 20 0 CEADMP CCCN(Cc1ccccc1)C[C@@H](O)C[N@@H+](C)CC ZINC000383863549 344828166 /nfs/dbraw/zinc/82/81/66/344828166.db2.gz YJCGMGRZKACDAG-INIZCTEOSA-N 2 1 264.413 2.211 20 0 CEADMP COc1cc(F)cc(C[C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000449783947 282366744 /nfs/dbraw/zinc/36/67/44/282366744.db2.gz TTXBQQCYMWRAFU-GFCCVEGCSA-N 2 1 280.387 2.449 20 0 CEADMP COC(C)(C)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336784285 365802801 /nfs/dbraw/zinc/80/28/01/365802801.db2.gz OESFDPNLKBBFRR-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP C[N@@H+](CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)CC(C)(C)C ZINC000588901057 345059464 /nfs/dbraw/zinc/05/94/64/345059464.db2.gz NOBJSUWHTSTXKE-UHFFFAOYSA-N 2 1 297.487 2.390 20 0 CEADMP C[C@H](C[NH2+]Cc1[nH]nc2ccccc21)C[NH+]1CCCC1 ZINC000589641681 345091383 /nfs/dbraw/zinc/09/13/83/345091383.db2.gz YDVYCQSCKAZQKD-CYBMUJFWSA-N 2 1 272.396 2.384 20 0 CEADMP CCOC(=O)CCC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000591272401 345236917 /nfs/dbraw/zinc/23/69/17/345236917.db2.gz IKCCFUYUXNSOCB-OAHLLOKOSA-N 2 1 284.444 2.415 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)[C@@H]1SC ZINC000592395041 345349474 /nfs/dbraw/zinc/34/94/74/345349474.db2.gz NLZNPNNEYKXNRZ-SJJUBHFPSA-N 2 1 298.496 2.358 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000229370858 539465515 /nfs/dbraw/zinc/46/55/15/539465515.db2.gz BNPJBCKJJZBELL-RDBSUJKOSA-N 2 1 252.402 2.147 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593730786 345528848 /nfs/dbraw/zinc/52/88/48/345528848.db2.gz GABXBKJPVUCSFQ-ZIAGYGMSSA-N 2 1 270.417 2.169 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000593729035 345528888 /nfs/dbraw/zinc/52/88/88/345528888.db2.gz CWRWGMXGTRJQHP-NHYWBVRUSA-N 2 1 294.420 2.096 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000593729035 345528892 /nfs/dbraw/zinc/52/88/92/345528892.db2.gz CWRWGMXGTRJQHP-NHYWBVRUSA-N 2 1 294.420 2.096 20 0 CEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCOc1ccccc1 ZINC000336786532 365805553 /nfs/dbraw/zinc/80/55/53/365805553.db2.gz IGZRSUYFYHABQJ-HNNXBMFYSA-N 2 1 250.386 2.419 20 0 CEADMP CC[C@H](CSC)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594516285 345642218 /nfs/dbraw/zinc/64/22/18/345642218.db2.gz XPJHEVLMDQJQIP-HIFRSBDPSA-N 2 1 286.485 2.361 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(OC2CC2)c1F ZINC000623086097 349933794 /nfs/dbraw/zinc/93/37/94/349933794.db2.gz XABSTESUQTVXSY-UHFFFAOYSA-N 2 1 289.354 2.433 20 0 CEADMP COc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1SC ZINC000623086408 349933866 /nfs/dbraw/zinc/93/38/66/349933866.db2.gz OUMORLOTHPTBKG-UHFFFAOYSA-N 2 1 291.420 2.483 20 0 CEADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000595004003 345724795 /nfs/dbraw/zinc/72/47/95/345724795.db2.gz MJSDXXRIPITSHY-GFCCVEGCSA-N 2 1 270.417 2.038 20 0 CEADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000595026479 345730221 /nfs/dbraw/zinc/73/02/21/345730221.db2.gz OGBLCIJMMUBTDL-MELADBBJSA-N 2 1 284.444 2.427 20 0 CEADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000595026479 345730222 /nfs/dbraw/zinc/73/02/22/345730222.db2.gz OGBLCIJMMUBTDL-MELADBBJSA-N 2 1 284.444 2.427 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)CC1 ZINC000595063346 345738075 /nfs/dbraw/zinc/73/80/75/345738075.db2.gz QLFMJBFONTTZON-ZRGWGRIASA-N 2 1 286.485 2.140 20 0 CEADMP CC[C@H](C)[N@H+](CC(=O)OC)Cc1cccc2c1CC[NH2+]C2 ZINC000595894717 345908716 /nfs/dbraw/zinc/90/87/16/345908716.db2.gz YSWBSAWTUMMZEN-ZDUSSCGKSA-N 2 1 290.407 2.106 20 0 CEADMP CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cccc2c1CC[NH2+]C2 ZINC000595894717 345908719 /nfs/dbraw/zinc/90/87/19/345908719.db2.gz YSWBSAWTUMMZEN-ZDUSSCGKSA-N 2 1 290.407 2.106 20 0 CEADMP C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336810781 290125203 /nfs/dbraw/zinc/12/52/03/290125203.db2.gz JIFFWZDKFVNLAQ-JYJNAYRXSA-N 2 1 268.445 2.486 20 0 CEADMP C[C@H](O)C[C@@H]1CCCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000336810781 290125206 /nfs/dbraw/zinc/12/52/06/290125206.db2.gz JIFFWZDKFVNLAQ-JYJNAYRXSA-N 2 1 268.445 2.486 20 0 CEADMP C[C@H](O)C[C@@H]1CCCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000336810781 290125209 /nfs/dbraw/zinc/12/52/09/290125209.db2.gz JIFFWZDKFVNLAQ-JYJNAYRXSA-N 2 1 268.445 2.486 20 0 CEADMP CO[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CC[C@@H]1C ZINC000230312679 539524015 /nfs/dbraw/zinc/52/40/15/539524015.db2.gz BZVYQLCQJCPWGU-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP CCSCC[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000597186910 346144249 /nfs/dbraw/zinc/14/42/49/346144249.db2.gz NOUBMUNPTWXLTM-MRXNPFEDSA-N 2 1 294.464 2.096 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000597242765 346159932 /nfs/dbraw/zinc/15/99/32/346159932.db2.gz WLSXNFPDNFHTOA-GOEBONIOSA-N 2 1 282.428 2.182 20 0 CEADMP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1C ZINC000568269230 299131463 /nfs/dbraw/zinc/13/14/63/299131463.db2.gz CPYJATVUOYEWLW-ZFWWWQNUSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1C ZINC000568269230 299131466 /nfs/dbraw/zinc/13/14/66/299131466.db2.gz CPYJATVUOYEWLW-ZFWWWQNUSA-N 2 1 290.455 2.471 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)C(C)(C)C)C1 ZINC000336790471 365811147 /nfs/dbraw/zinc/81/11/47/365811147.db2.gz XDFKXWFKXDVBBH-ZIAGYGMSSA-N 2 1 256.434 2.057 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000336790471 365811154 /nfs/dbraw/zinc/81/11/54/365811154.db2.gz XDFKXWFKXDVBBH-ZIAGYGMSSA-N 2 1 256.434 2.057 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000336790471 365811160 /nfs/dbraw/zinc/81/11/60/365811160.db2.gz XDFKXWFKXDVBBH-ZIAGYGMSSA-N 2 1 256.434 2.057 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598976309 346440675 /nfs/dbraw/zinc/44/06/75/346440675.db2.gz PYAICDIRMQQZGJ-GFCCVEGCSA-N 2 1 270.417 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nccs1 ZINC000063133756 362752052 /nfs/dbraw/zinc/75/20/52/362752052.db2.gz KKAUKDKJMFXJFT-GRYCIOLGSA-N 2 1 253.415 2.004 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000599312286 346496235 /nfs/dbraw/zinc/49/62/35/346496235.db2.gz GOIQDSPPOHKZHF-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000599312286 346496239 /nfs/dbraw/zinc/49/62/39/346496239.db2.gz GOIQDSPPOHKZHF-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000599312286 346496242 /nfs/dbraw/zinc/49/62/42/346496242.db2.gz GOIQDSPPOHKZHF-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000599312284 346496407 /nfs/dbraw/zinc/49/64/07/346496407.db2.gz GOIQDSPPOHKZHF-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000599312284 346496411 /nfs/dbraw/zinc/49/64/11/346496411.db2.gz GOIQDSPPOHKZHF-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000599312284 346496413 /nfs/dbraw/zinc/49/64/13/346496413.db2.gz GOIQDSPPOHKZHF-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCOCC(F)(F)F)CC1 ZINC000336799586 365826693 /nfs/dbraw/zinc/82/66/93/365826693.db2.gz JEYCCYZQJRGRGV-UHFFFAOYSA-N 2 1 282.350 2.370 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000568277092 299133562 /nfs/dbraw/zinc/13/35/62/299133562.db2.gz SUXRXFHMOXIPLJ-KCPJHIHWSA-N 2 1 278.371 2.059 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000568277092 299133565 /nfs/dbraw/zinc/13/35/65/299133565.db2.gz SUXRXFHMOXIPLJ-KCPJHIHWSA-N 2 1 278.371 2.059 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC[NH+]2CCCCC2)C[C@H]1C ZINC000336801555 365831717 /nfs/dbraw/zinc/83/17/17/365831717.db2.gz QNBOFGYKYOOOML-CVEARBPZSA-N 2 1 267.461 2.277 20 0 CEADMP C([C@@H]1CC[N@@H+](CC2CCCCC2)C1)N1CCOCC1 ZINC000129198919 365835356 /nfs/dbraw/zinc/83/53/56/365835356.db2.gz QZQUCKZDNGAXQB-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP CCC(CC)Nc1cc[nH+]cc1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000568291955 299135958 /nfs/dbraw/zinc/13/59/58/299135958.db2.gz ZCOLYQSGQCHACH-OAHLLOKOSA-N 2 1 290.411 2.137 20 0 CEADMP CCC(CC)Nc1cc[nH+]cc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000568291955 299135961 /nfs/dbraw/zinc/13/59/61/299135961.db2.gz ZCOLYQSGQCHACH-OAHLLOKOSA-N 2 1 290.411 2.137 20 0 CEADMP CO[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459461950 290155983 /nfs/dbraw/zinc/15/59/83/290155983.db2.gz KWRKUSWSACPCKP-DOMZBBRYSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2nc(C)no2)C[C@@H]1C ZINC000336822953 365876040 /nfs/dbraw/zinc/87/60/40/365876040.db2.gz NNQOWCAAQQGEBI-GXTWGEPZSA-N 2 1 280.416 2.115 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2nc(C)no2)C[C@@H]1C ZINC000336822953 365876049 /nfs/dbraw/zinc/87/60/49/365876049.db2.gz NNQOWCAAQQGEBI-GXTWGEPZSA-N 2 1 280.416 2.115 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2nc(C)no2)C[C@@H]1C ZINC000336822953 365876055 /nfs/dbraw/zinc/87/60/55/365876055.db2.gz NNQOWCAAQQGEBI-GXTWGEPZSA-N 2 1 280.416 2.115 20 0 CEADMP COC(=O)c1csc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000602723026 347171543 /nfs/dbraw/zinc/17/15/43/347171543.db2.gz KPQGTWCJGZFTOJ-LBPRGKRZSA-N 2 1 296.436 2.356 20 0 CEADMP COC(=O)c1csc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000602723026 347171547 /nfs/dbraw/zinc/17/15/47/347171547.db2.gz KPQGTWCJGZFTOJ-LBPRGKRZSA-N 2 1 296.436 2.356 20 0 CEADMP CC(C)(C)[NH2+]CC[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000230972103 539554723 /nfs/dbraw/zinc/55/47/23/539554723.db2.gz QIGNBLKFLYDMOF-UHFFFAOYSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336824435 365880331 /nfs/dbraw/zinc/88/03/31/365880331.db2.gz UTFWZDUAKLRPMX-LLVKDONJSA-N 2 1 278.400 2.282 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc2nccn2c1 ZINC000606583925 347481913 /nfs/dbraw/zinc/48/19/13/347481913.db2.gz TUNFYMFIKZJVHG-GFCCVEGCSA-N 2 1 289.383 2.186 20 0 CEADMP C[C@@H]1C[C@H](NCC2([NH+](C)C)CCCCC2)CC[N@H+]1C ZINC000129685049 365886039 /nfs/dbraw/zinc/88/60/39/365886039.db2.gz ORTGYUXYFSLOLB-HUUCEWRRSA-N 3 1 267.461 2.323 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccccc2)C[C@H]1C ZINC000336840315 365911064 /nfs/dbraw/zinc/91/10/64/365911064.db2.gz WLPUIMGKVVDIOY-NJAFHUGGSA-N 2 1 290.451 2.395 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cc2ccccc2)C[C@H]1C ZINC000336840315 365911073 /nfs/dbraw/zinc/91/10/73/365911073.db2.gz WLPUIMGKVVDIOY-NJAFHUGGSA-N 2 1 290.451 2.395 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2)C[C@H]1C ZINC000336840315 365911077 /nfs/dbraw/zinc/91/10/77/365911077.db2.gz WLPUIMGKVVDIOY-NJAFHUGGSA-N 2 1 290.451 2.395 20 0 CEADMP c1ccc2c(c1)OC[C@H](C[NH2+]C1CC[NH+](C3CC3)CC1)O2 ZINC000336849134 365925977 /nfs/dbraw/zinc/92/59/77/365925977.db2.gz PWFHJZSFMYRJSG-HNNXBMFYSA-N 2 1 288.391 2.043 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000130096159 365923540 /nfs/dbraw/zinc/92/35/40/365923540.db2.gz WONWIJBRMHIPSW-GOEBONIOSA-N 2 1 288.439 2.123 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000130096159 365923544 /nfs/dbraw/zinc/92/35/44/365923544.db2.gz WONWIJBRMHIPSW-GOEBONIOSA-N 2 1 288.439 2.123 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334350321 539590144 /nfs/dbraw/zinc/59/01/44/539590144.db2.gz FEEVRSJDAASXFH-QGZVFWFLSA-N 2 1 284.407 2.218 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334350321 539590147 /nfs/dbraw/zinc/59/01/47/539590147.db2.gz FEEVRSJDAASXFH-QGZVFWFLSA-N 2 1 284.407 2.218 20 0 CEADMP Cc1nccn1CCC[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000336886105 365934313 /nfs/dbraw/zinc/93/43/13/365934313.db2.gz BNOHSHSKTIERDS-LSDHHAIUSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000336886105 365934317 /nfs/dbraw/zinc/93/43/17/365934317.db2.gz BNOHSHSKTIERDS-LSDHHAIUSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000336886105 365934324 /nfs/dbraw/zinc/93/43/24/365934324.db2.gz BNOHSHSKTIERDS-LSDHHAIUSA-N 2 1 265.401 2.065 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000086777857 179329112 /nfs/dbraw/zinc/32/91/12/179329112.db2.gz OTTCAKWLUGEMIP-MRVPVSSYSA-N 2 1 259.806 2.356 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000130392303 365950988 /nfs/dbraw/zinc/95/09/88/365950988.db2.gz KDTUDSVZIOZILN-QAPCUYQASA-N 2 1 298.434 2.345 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3ccc4c(c3)CCO4)C[C@H]12 ZINC000339407983 215151960 /nfs/dbraw/zinc/15/19/60/215151960.db2.gz TWFKTAJIJGJCAF-IXDOHACOSA-N 2 1 286.419 2.223 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357084893 233003372 /nfs/dbraw/zinc/00/33/72/233003372.db2.gz KDWXVVJTYMNMEU-HOTGVXAUSA-N 2 1 274.408 2.305 20 0 CEADMP C[C@H]1C[C@@H](C(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000357094823 233005564 /nfs/dbraw/zinc/00/55/64/233005564.db2.gz NKDLJUCXLLSOSK-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+]2CCNC[C@H]2c2cccc(F)c2)CC[NH2+]1 ZINC000414729417 297252613 /nfs/dbraw/zinc/25/26/13/297252613.db2.gz DQFOTAZDCMRFOI-KEYYUXOJSA-N 2 1 291.414 2.160 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCNC[C@H]2c2cccc(F)c2)CC[NH2+]1 ZINC000414729417 297252615 /nfs/dbraw/zinc/25/26/15/297252615.db2.gz DQFOTAZDCMRFOI-KEYYUXOJSA-N 2 1 291.414 2.160 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCOCC2CC2)CC1(C)C ZINC000623343243 349993547 /nfs/dbraw/zinc/99/35/47/349993547.db2.gz HZPXUYKIFHNAKW-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000617014389 348612673 /nfs/dbraw/zinc/61/26/73/348612673.db2.gz ISVGEHDJSWFMTA-BARDWOONSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000617014389 348612678 /nfs/dbraw/zinc/61/26/78/348612678.db2.gz ISVGEHDJSWFMTA-BARDWOONSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000617014389 348612684 /nfs/dbraw/zinc/61/26/84/348612684.db2.gz ISVGEHDJSWFMTA-BARDWOONSA-N 2 1 295.471 2.237 20 0 CEADMP CN(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339069504 539659034 /nfs/dbraw/zinc/65/90/34/539659034.db2.gz WFGOIQNWABASEI-WBVHZDCISA-N 2 1 273.424 2.339 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000339065973 539659264 /nfs/dbraw/zinc/65/92/64/539659264.db2.gz CUDAAYLGWXUKBR-ZACQAIPSSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCC[C@H]1C ZINC000617502570 348717224 /nfs/dbraw/zinc/71/72/24/348717224.db2.gz UYFWMBCWMAWICI-OWCLPIDISA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCC[C@H]1C ZINC000617502570 348717226 /nfs/dbraw/zinc/71/72/26/348717226.db2.gz UYFWMBCWMAWICI-OWCLPIDISA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C(C)(C)C ZINC000617505825 348718331 /nfs/dbraw/zinc/71/83/31/348718331.db2.gz RDQNEEDTFAQKRS-KBPBESRZSA-N 2 1 285.476 2.057 20 0 CEADMP C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C(C)(C)C ZINC000617505825 348718336 /nfs/dbraw/zinc/71/83/36/348718336.db2.gz RDQNEEDTFAQKRS-KBPBESRZSA-N 2 1 285.476 2.057 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000458233072 539672346 /nfs/dbraw/zinc/67/23/46/539672346.db2.gz WWWNPGWLRGOUGV-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCCC[NH+]1CCC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458233072 539672350 /nfs/dbraw/zinc/67/23/50/539672350.db2.gz WWWNPGWLRGOUGV-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCCC[NH+]1CCC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458233072 539672352 /nfs/dbraw/zinc/67/23/52/539672352.db2.gz WWWNPGWLRGOUGV-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H](CNC(=O)CC[N@H+]1CCCC[C@@H]1C)C[NH+]1CCCC1 ZINC000339262786 539680889 /nfs/dbraw/zinc/68/08/89/539680889.db2.gz JFTYDCLMGRNUAZ-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC[NH+]1CCCC[C@H]1C ZINC000339286044 539690826 /nfs/dbraw/zinc/69/08/26/539690826.db2.gz WTNGRFBTJZLVII-OAGGEKHMSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000339286044 539690829 /nfs/dbraw/zinc/69/08/29/539690829.db2.gz WTNGRFBTJZLVII-OAGGEKHMSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)CC[N@H+]1CCCC[C@H]1C ZINC000339286044 539690831 /nfs/dbraw/zinc/69/08/31/539690831.db2.gz WTNGRFBTJZLVII-OAGGEKHMSA-N 2 1 295.471 2.050 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000459526444 539693538 /nfs/dbraw/zinc/69/35/38/539693538.db2.gz YEKGDDOYKKAKFE-UHFFFAOYSA-N 2 1 299.418 2.344 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@H]1SC ZINC000459771357 290234005 /nfs/dbraw/zinc/23/40/05/290234005.db2.gz IIEBPHZSMBNNEU-LXTVHRRPSA-N 2 1 286.485 2.217 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623383946 350005595 /nfs/dbraw/zinc/00/55/95/350005595.db2.gz ILGVTIITFWYOCM-CYBMUJFWSA-N 2 1 272.396 2.383 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cscn2)CC1(C)C ZINC000623424445 350017051 /nfs/dbraw/zinc/01/70/51/350017051.db2.gz RTWAQWNCEWNVCT-LLVKDONJSA-N 2 1 253.415 2.148 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1(C)C ZINC000623429255 350018690 /nfs/dbraw/zinc/01/86/90/350018690.db2.gz UVUNJPHVUXRDMB-IGQOVBAYSA-N 2 1 266.429 2.262 20 0 CEADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623445322 350022029 /nfs/dbraw/zinc/02/20/29/350022029.db2.gz MCVWESKUFWUZBF-KFWWJZLASA-N 2 1 267.461 2.178 20 0 CEADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623445322 350022035 /nfs/dbraw/zinc/02/20/35/350022035.db2.gz MCVWESKUFWUZBF-KFWWJZLASA-N 2 1 267.461 2.178 20 0 CEADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623445322 350022040 /nfs/dbraw/zinc/02/20/40/350022040.db2.gz MCVWESKUFWUZBF-KFWWJZLASA-N 2 1 267.461 2.178 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623447655 350022912 /nfs/dbraw/zinc/02/29/12/350022912.db2.gz ZQUAYGCUYRBSBF-HZSPNIEDSA-N 2 1 254.418 2.264 20 0 CEADMP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000234874933 539742390 /nfs/dbraw/zinc/74/23/90/539742390.db2.gz ZMYMDHVBYYLUKF-UKRRQHHQSA-N 2 1 262.397 2.358 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)CC1(C)C ZINC000623472170 350027779 /nfs/dbraw/zinc/02/77/79/350027779.db2.gz GXAIIZCXTFZQEX-STQMWFEESA-N 2 1 254.418 2.406 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)CC1(C)C ZINC000623474050 350029075 /nfs/dbraw/zinc/02/90/75/350029075.db2.gz PWPMWWNMNPVIBB-OAHLLOKOSA-N 2 1 288.439 2.359 20 0 CEADMP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000234874567 539742522 /nfs/dbraw/zinc/74/25/22/539742522.db2.gz ZMYMDHVBYYLUKF-HIFRSBDPSA-N 2 1 262.397 2.358 20 0 CEADMP C[N@H+]1CCCC[C@H](CNCc2cn3ccccc3n2)C1 ZINC000623655662 350074824 /nfs/dbraw/zinc/07/48/24/350074824.db2.gz BDMCFCXOUSJDET-CQSZACIVSA-N 2 1 272.396 2.156 20 0 CEADMP CCO[C@@H]1C[C@](CO)([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1(C)C ZINC000623502468 350036714 /nfs/dbraw/zinc/03/67/14/350036714.db2.gz KVCCDRXYZJVPSH-JJRVBVJISA-N 2 1 298.471 2.015 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC([NH+]3CCCCC3)C2)CC1(C)C ZINC000623511623 350038246 /nfs/dbraw/zinc/03/82/46/350038246.db2.gz XRHWKMBTJXTINO-FHERZECASA-N 2 1 279.472 2.466 20 0 CEADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623559890 350050178 /nfs/dbraw/zinc/05/01/78/350050178.db2.gz PFFMHVGLVWDXAX-BFHYXJOUSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623559947 350050543 /nfs/dbraw/zinc/05/05/43/350050543.db2.gz PUUGBPDQNSUXLV-TZMCWYRMSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)[C@]2(O)CCCOC2)CC1(C)C ZINC000623572500 350054531 /nfs/dbraw/zinc/05/45/31/350054531.db2.gz CAKCAEPZQSFIHH-PBHICJAKSA-N 2 1 298.471 2.017 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)CC[N@H+]1C ZINC000090721824 180031073 /nfs/dbraw/zinc/03/10/73/180031073.db2.gz LILCMNVDZVHDKZ-IUODEOHRSA-N 2 1 285.395 2.044 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCc2c(cnn2C)C1 ZINC000411843956 233287379 /nfs/dbraw/zinc/28/73/79/233287379.db2.gz CEICAQISPHGYTE-UHFFFAOYSA-N 2 1 287.411 2.154 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411843956 233287382 /nfs/dbraw/zinc/28/73/82/233287382.db2.gz CEICAQISPHGYTE-UHFFFAOYSA-N 2 1 287.411 2.154 20 0 CEADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000623960606 350154758 /nfs/dbraw/zinc/15/47/58/350154758.db2.gz BGWAGSYGJJBDTD-DLBZAZTESA-N 2 1 276.424 2.054 20 0 CEADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000623960606 350154762 /nfs/dbraw/zinc/15/47/62/350154762.db2.gz BGWAGSYGJJBDTD-DLBZAZTESA-N 2 1 276.424 2.054 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)CC[N@H+]1C ZINC000624054701 350180288 /nfs/dbraw/zinc/18/02/88/350180288.db2.gz LIPYEVIAEKMQNZ-COXVUDFISA-N 2 1 274.408 2.200 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1 ZINC000624131442 350204145 /nfs/dbraw/zinc/20/41/45/350204145.db2.gz NUHXFHYEWAQELW-CQDKDKBSSA-N 2 1 298.390 2.095 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000091661062 180218654 /nfs/dbraw/zinc/21/86/54/180218654.db2.gz KPQULXGEEHZGFK-DZGCQCFKSA-N 2 1 259.397 2.390 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000091661062 180218656 /nfs/dbraw/zinc/21/86/56/180218656.db2.gz KPQULXGEEHZGFK-DZGCQCFKSA-N 2 1 259.397 2.390 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](OC)C2)[C@H](C)C1 ZINC000624309276 350257625 /nfs/dbraw/zinc/25/76/25/350257625.db2.gz IZVRBMJYUAHBAA-NCOADZHNSA-N 2 1 298.471 2.138 20 0 CEADMP C[N@@H+](Cc1ccc(Cl)nc1)C1CCC([NH3+])CC1 ZINC000091847229 180271112 /nfs/dbraw/zinc/27/11/12/180271112.db2.gz DVXXNJNGJRUWFU-UHFFFAOYSA-N 2 1 253.777 2.437 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1)C1CC1 ZINC000625200675 350427131 /nfs/dbraw/zinc/42/71/31/350427131.db2.gz RTAPUDYNAJMAOO-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@@](O)(C[NH+]1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000106383075 186112124 /nfs/dbraw/zinc/11/21/24/186112124.db2.gz SZNBDJVHQJOGDO-GOSISDBHSA-N 2 1 288.435 2.454 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C)c3)C2)CC1 ZINC000107368395 186172258 /nfs/dbraw/zinc/17/22/58/186172258.db2.gz BDSBZMBNFVLHER-GOSISDBHSA-N 2 1 287.451 2.207 20 0 CEADMP CCCCCNC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130623101 365975390 /nfs/dbraw/zinc/97/53/90/365975390.db2.gz HNLNJLMUQUKPPO-CQSZACIVSA-N 2 1 294.443 2.208 20 0 CEADMP CCCCCNC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130623101 365975395 /nfs/dbraw/zinc/97/53/95/365975395.db2.gz HNLNJLMUQUKPPO-CQSZACIVSA-N 2 1 294.443 2.208 20 0 CEADMP COc1cccc2c1CN(CC[C@@H]1CCC[N@H+]1C)C2 ZINC000626022793 350632243 /nfs/dbraw/zinc/63/22/43/350632243.db2.gz KEUNECYWRYYUQN-AWEZNQCLSA-N 2 1 260.381 2.495 20 0 CEADMP C[N@@H+](CCCNC(=O)C1CCC1)[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000628251915 351027724 /nfs/dbraw/zinc/02/77/24/351027724.db2.gz AIJXUWFDAFQAMH-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CCCNC(=O)C1CCC1)[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000628251915 351027727 /nfs/dbraw/zinc/02/77/27/351027727.db2.gz AIJXUWFDAFQAMH-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CCCNC(=O)C1CCC1)[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000628251915 351027731 /nfs/dbraw/zinc/02/77/31/351027731.db2.gz AIJXUWFDAFQAMH-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cnn(C)c1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000352233691 219378006 /nfs/dbraw/zinc/37/80/06/219378006.db2.gz YVALZGDQKLFZHC-CQSZACIVSA-N 2 1 264.417 2.083 20 0 CEADMP Cc1cnn(C)c1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000352233691 219378010 /nfs/dbraw/zinc/37/80/10/219378010.db2.gz YVALZGDQKLFZHC-CQSZACIVSA-N 2 1 264.417 2.083 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccn1)C1CC1 ZINC000271427343 191131248 /nfs/dbraw/zinc/13/12/48/191131248.db2.gz ALWNPJUFJKKVHT-UHFFFAOYSA-N 2 1 256.353 2.251 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccn1)C1CC1 ZINC000271427343 191131250 /nfs/dbraw/zinc/13/12/50/191131250.db2.gz ALWNPJUFJKKVHT-UHFFFAOYSA-N 2 1 256.353 2.251 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CC2(C)COC2)cc1 ZINC000628423428 351096942 /nfs/dbraw/zinc/09/69/42/351096942.db2.gz UCHVBQSYBLZIQU-UHFFFAOYSA-N 2 1 292.423 2.095 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(n3)CCC4)CC[C@H]21 ZINC000569077620 299177135 /nfs/dbraw/zinc/17/71/35/299177135.db2.gz NGRIUASGOKZEFC-CRAIPNDOSA-N 2 1 285.435 2.486 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(n3)CCC4)CC[C@H]21 ZINC000569077620 299177137 /nfs/dbraw/zinc/17/71/37/299177137.db2.gz NGRIUASGOKZEFC-CRAIPNDOSA-N 2 1 285.435 2.486 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4c(n3)CCC4)CC[C@H]21 ZINC000569077620 299177141 /nfs/dbraw/zinc/17/71/41/299177141.db2.gz NGRIUASGOKZEFC-CRAIPNDOSA-N 2 1 285.435 2.486 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(n3)CCC4)CC[C@H]21 ZINC000569077620 299177143 /nfs/dbraw/zinc/17/71/43/299177143.db2.gz NGRIUASGOKZEFC-CRAIPNDOSA-N 2 1 285.435 2.486 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(O)ccc1Cl ZINC000629516715 351384788 /nfs/dbraw/zinc/38/47/88/351384788.db2.gz NGOBNTMZCMPAON-UWVGGRQHSA-N 2 1 254.761 2.215 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(O)ccc1Cl ZINC000629516715 351384791 /nfs/dbraw/zinc/38/47/91/351384791.db2.gz NGOBNTMZCMPAON-UWVGGRQHSA-N 2 1 254.761 2.215 20 0 CEADMP Cc1ccc(C(C)(C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)nc1 ZINC000629524313 351390067 /nfs/dbraw/zinc/39/00/67/351390067.db2.gz RFCVZKLIZDJWHZ-UONOGXRCSA-N 2 1 261.413 2.398 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)c(C)o1 ZINC000629524822 351390124 /nfs/dbraw/zinc/39/01/24/351390124.db2.gz QGNMACFGIJIAPO-LLVKDONJSA-N 2 1 252.358 2.055 20 0 CEADMP Cc1cncc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000629533303 351395893 /nfs/dbraw/zinc/39/58/93/351395893.db2.gz TUPWVPKQEATVDB-HOTGVXAUSA-N 2 1 259.397 2.212 20 0 CEADMP Cc1cncc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000629537774 351400757 /nfs/dbraw/zinc/40/07/57/351400757.db2.gz LRCCIUDKODNHAV-ULQDDVLXSA-N 2 1 289.423 2.108 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C12CCC2 ZINC000629542909 351403690 /nfs/dbraw/zinc/40/36/90/351403690.db2.gz OWODWXHBEDNLKG-YIYPIFLZSA-N 2 1 252.402 2.064 20 0 CEADMP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407325 351354958 /nfs/dbraw/zinc/35/49/58/351354958.db2.gz XTRWTAIPMZJIJD-SLEUVZQESA-N 2 1 250.361 2.487 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC23CCOCC3)C[NH2+]1 ZINC000629543051 351404202 /nfs/dbraw/zinc/40/42/02/351404202.db2.gz RPPPLUZTRNYKCC-RDBSUJKOSA-N 2 1 252.402 2.066 20 0 CEADMP CC1([NH3+])CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000629647486 351445783 /nfs/dbraw/zinc/44/57/83/351445783.db2.gz WULPEHRPYRWRBN-UHFFFAOYSA-N 2 1 258.365 2.276 20 0 CEADMP C[N@@H+](CC1=Cc2ccccc2OC1)CC(C)(C)C[NH3+] ZINC000629651964 351449439 /nfs/dbraw/zinc/44/94/39/351449439.db2.gz QSJMVDYACFJYEM-UHFFFAOYSA-N 2 1 260.381 2.379 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(C(F)F)cc2)CCOCC1 ZINC000629654099 351451043 /nfs/dbraw/zinc/45/10/43/351451043.db2.gz MMPYNVTVEVUVOW-UHFFFAOYSA-N 2 1 270.323 2.222 20 0 CEADMP c1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H]3[NH2+]CC[C@@H]3C1)CO2 ZINC000629655839 351452703 /nfs/dbraw/zinc/45/27/03/351452703.db2.gz XLAWJJUMOZMXLN-CVEARBPZSA-N 2 1 270.376 2.146 20 0 CEADMP c1ccc2c(c1)C=C(C[N@H+]1CC[C@@H]3[NH2+]CC[C@@H]3C1)CO2 ZINC000629655839 351452705 /nfs/dbraw/zinc/45/27/05/351452705.db2.gz XLAWJJUMOZMXLN-CVEARBPZSA-N 2 1 270.376 2.146 20 0 CEADMP Cc1oc2ccccc2c1C[N@@H+](C)CCOCC[NH3+] ZINC000629665399 351457169 /nfs/dbraw/zinc/45/71/69/351457169.db2.gz VLUGABHXSYOLDJ-UHFFFAOYSA-N 2 1 262.353 2.148 20 0 CEADMP CCCc1cccc(C[N@@H+](C)CCOCC[NH3+])c1 ZINC000629664133 351457238 /nfs/dbraw/zinc/45/72/38/351457238.db2.gz JNCPBQZVFSSTDF-UHFFFAOYSA-N 2 1 250.386 2.046 20 0 CEADMP C[C@H](CC[N@@H+](C)CCOCC[NH3+])c1ccccc1 ZINC000629664992 351457291 /nfs/dbraw/zinc/45/72/91/351457291.db2.gz MJKDCPBLJJEGOU-CQSZACIVSA-N 2 1 250.386 2.087 20 0 CEADMP CCSc1cccc(C[N@@H+](C)CCOCC[NH3+])c1 ZINC000629665746 351457863 /nfs/dbraw/zinc/45/78/63/351457863.db2.gz OTTOXPMIJRNBMB-UHFFFAOYSA-N 2 1 268.426 2.206 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC000629571875 351419460 /nfs/dbraw/zinc/41/94/60/351419460.db2.gz RWHQGOBHJYISHH-CQSZACIVSA-N 2 1 250.386 2.224 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)CC[C@H]1CCc2ccccc21 ZINC000629572620 351419786 /nfs/dbraw/zinc/41/97/86/351419786.db2.gz ZHZZKEBOGKEAPC-MRXNPFEDSA-N 2 1 276.424 2.274 20 0 CEADMP CC(C)Cc1ccc(C[N@@H+](C)CCOCC[NH3+])cc1 ZINC000629579303 351420421 /nfs/dbraw/zinc/42/04/21/351420421.db2.gz RAHLVWLRTHRCCX-UHFFFAOYSA-N 2 1 264.413 2.292 20 0 CEADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000629579034 351420806 /nfs/dbraw/zinc/42/08/06/351420806.db2.gz OZUWJTKIUHRTNB-AWEZNQCLSA-N 2 1 254.349 2.184 20 0 CEADMP COC[C@H](C)[N@H+](C[C@H](C)[NH3+])[C@@H]1CCc2ccccc21 ZINC000629590115 351424728 /nfs/dbraw/zinc/42/47/28/351424728.db2.gz MGCAOHKGEXHQHK-HEHGZKQESA-N 2 1 262.397 2.358 20 0 CEADMP COC[C@H](C)[N@@H+](C[C@H](C)[NH3+])[C@@H]1CCc2ccccc21 ZINC000629590115 351424733 /nfs/dbraw/zinc/42/47/33/351424733.db2.gz MGCAOHKGEXHQHK-HEHGZKQESA-N 2 1 262.397 2.358 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000070169518 363042847 /nfs/dbraw/zinc/04/28/47/363042847.db2.gz VXZFUZBMRSVQIW-CYBMUJFWSA-N 2 1 260.381 2.182 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000070170651 363043092 /nfs/dbraw/zinc/04/30/92/363043092.db2.gz GXCDXAQTIVLUBW-AWEZNQCLSA-N 2 1 275.396 2.076 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000070170513 363043430 /nfs/dbraw/zinc/04/34/30/363043430.db2.gz NGSZINZMOWVCMS-GFCCVEGCSA-N 2 1 295.814 2.339 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000070171584 363045247 /nfs/dbraw/zinc/04/52/47/363045247.db2.gz XQCQEUNIROREPR-OCCSQVGLSA-N 2 1 276.380 2.017 20 0 CEADMP COc1cccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1OC ZINC000070171567 363045325 /nfs/dbraw/zinc/04/53/25/363045325.db2.gz ICVLAHNDJUYQRB-STQMWFEESA-N 2 1 278.396 2.263 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1OC ZINC000070171567 363045327 /nfs/dbraw/zinc/04/53/27/363045327.db2.gz ICVLAHNDJUYQRB-STQMWFEESA-N 2 1 278.396 2.263 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)C[N@@H+](C)C2CCC2)c(F)c1 ZINC000630008751 351584884 /nfs/dbraw/zinc/58/48/84/351584884.db2.gz YBIBCQUJAOWCKQ-UHFFFAOYSA-N 2 1 293.386 2.310 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)COC)CC1 ZINC000122177935 187019269 /nfs/dbraw/zinc/01/92/69/187019269.db2.gz HATRJNMWTWZAJM-HNNXBMFYSA-N 2 1 286.460 2.092 20 0 CEADMP COC[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000122819078 187053654 /nfs/dbraw/zinc/05/36/54/187053654.db2.gz VIBQGUCESRHYJH-GOSISDBHSA-N 2 1 288.435 2.449 20 0 CEADMP COC[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000122819078 187053655 /nfs/dbraw/zinc/05/36/55/187053655.db2.gz VIBQGUCESRHYJH-GOSISDBHSA-N 2 1 288.435 2.449 20 0 CEADMP COc1ccc(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123813410 187109609 /nfs/dbraw/zinc/10/96/09/187109609.db2.gz QENZBWDPFQIYJN-GJZGRUSLSA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123813410 187109610 /nfs/dbraw/zinc/10/96/10/187109610.db2.gz QENZBWDPFQIYJN-GJZGRUSLSA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123813410 187109611 /nfs/dbraw/zinc/10/96/11/187109611.db2.gz QENZBWDPFQIYJN-GJZGRUSLSA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123813410 187109612 /nfs/dbraw/zinc/10/96/12/187109612.db2.gz QENZBWDPFQIYJN-GJZGRUSLSA-N 2 1 292.423 2.489 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631035704 351931274 /nfs/dbraw/zinc/93/12/74/351931274.db2.gz VKJIXORZAZRFGE-CYBMUJFWSA-N 2 1 263.385 2.141 20 0 CEADMP COCCc1ncc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)s1 ZINC000631044954 351936514 /nfs/dbraw/zinc/93/65/14/351936514.db2.gz ZAJFOYNQOIHGQM-ZDUSSCGKSA-N 2 1 297.468 2.154 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(NC(C)=O)c2)C1 ZINC000631049636 351938341 /nfs/dbraw/zinc/93/83/41/351938341.db2.gz MYVAKGKYVKBVBA-INIZCTEOSA-N 2 1 289.423 2.467 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(NC(C)=O)c2)C1 ZINC000631049636 351938342 /nfs/dbraw/zinc/93/83/42/351938342.db2.gz MYVAKGKYVKBVBA-INIZCTEOSA-N 2 1 289.423 2.467 20 0 CEADMP C[C@@H](C[NH2+]Cc1ccc(C(F)F)nc1)C[NH+](C)C ZINC000631139493 351983023 /nfs/dbraw/zinc/98/30/23/351983023.db2.gz HUTHERJJDAQVBI-JTQLQIEISA-N 2 1 257.328 2.307 20 0 CEADMP C[NH+](C)[C@H]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000271468343 191155417 /nfs/dbraw/zinc/15/54/17/191155417.db2.gz YILIVFQPJNIJOT-ZWKOTPCHSA-N 2 1 287.451 2.287 20 0 CEADMP COCC(C)(C)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000494001294 290951284 /nfs/dbraw/zinc/95/12/84/290951284.db2.gz ZTZWQBPARYGENY-GFCCVEGCSA-N 2 1 253.390 2.090 20 0 CEADMP Nc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000094085618 539867631 /nfs/dbraw/zinc/86/76/31/539867631.db2.gz IXUQPQIJPMWBOF-QGZVFWFLSA-N 2 1 271.408 2.473 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094341782 539876083 /nfs/dbraw/zinc/87/60/83/539876083.db2.gz BXZOYGUQTOVOCC-ZBFHGGJFSA-N 2 1 262.397 2.351 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(C)c2)[C@@H](C)C1 ZINC000271557583 191211037 /nfs/dbraw/zinc/21/10/37/191211037.db2.gz WFJBKMGBEAJHGN-XIRDDKMYSA-N 2 1 276.424 2.348 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000678932048 539950966 /nfs/dbraw/zinc/95/09/66/539950966.db2.gz VZNFBEZZRSPKOE-MRXNPFEDSA-N 2 1 271.408 2.117 20 0 CEADMP CC[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)CC[C@H]1[NH3+] ZINC000251717316 539990368 /nfs/dbraw/zinc/99/03/68/539990368.db2.gz JTVPXLVHANOGAO-GDBMZVCRSA-N 2 1 274.408 2.223 20 0 CEADMP O[C@@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000157992024 188351823 /nfs/dbraw/zinc/35/18/23/188351823.db2.gz ZAPBOEVAQQLIPS-OAGGEKHMSA-N 2 1 278.371 2.076 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CC(C)(C)C)CC1 ZINC000337242358 366099960 /nfs/dbraw/zinc/09/99/60/366099960.db2.gz GOUQWJIPVHDNSE-UHFFFAOYSA-N 2 1 269.477 2.380 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000494949163 291007045 /nfs/dbraw/zinc/00/70/45/291007045.db2.gz LNJCIJVRDNLWNT-HUUCEWRRSA-N 2 1 286.485 2.172 20 0 CEADMP Cn1cnc2cc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)ccc21 ZINC000271709484 191286291 /nfs/dbraw/zinc/28/62/91/191286291.db2.gz GNZORKWCGPXHQC-HNNXBMFYSA-N 2 1 286.423 2.347 20 0 CEADMP Cn1cnc2cc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)ccc21 ZINC000271709484 191286294 /nfs/dbraw/zinc/28/62/94/191286294.db2.gz GNZORKWCGPXHQC-HNNXBMFYSA-N 2 1 286.423 2.347 20 0 CEADMP Cn1cnc2cc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)ccc21 ZINC000271709484 191286297 /nfs/dbraw/zinc/28/62/97/191286297.db2.gz GNZORKWCGPXHQC-HNNXBMFYSA-N 2 1 286.423 2.347 20 0 CEADMP FC(F)Oc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132016630 366110219 /nfs/dbraw/zinc/11/02/19/366110219.db2.gz VJHFIKZUHMPTSB-LLVKDONJSA-N 2 1 270.323 2.377 20 0 CEADMP CCCCCC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000132980554 366186169 /nfs/dbraw/zinc/18/61/69/366186169.db2.gz MWELBDCNTADLTI-INIZCTEOSA-N 2 1 267.461 2.279 20 0 CEADMP CCO[C@@H]1CC[N@@H+](CCC[NH+](CC)CC)C[C@@H]1C ZINC000451544682 283028098 /nfs/dbraw/zinc/02/80/98/283028098.db2.gz QFIMTGIZXDOQOO-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CCCC[C@@H]1O)CC[NH2+]CC2 ZINC000571453714 314091397 /nfs/dbraw/zinc/09/13/97/314091397.db2.gz ZOEDEGSXZMYTLE-KFWWJZLASA-N 2 1 266.429 2.002 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451700446 283077797 /nfs/dbraw/zinc/07/77/97/283077797.db2.gz NUJNIDPQXLDBSZ-BZUAXINKSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451700446 283077799 /nfs/dbraw/zinc/07/77/99/283077799.db2.gz NUJNIDPQXLDBSZ-BZUAXINKSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000572226722 314124707 /nfs/dbraw/zinc/12/47/07/314124707.db2.gz NGBCODWOELVPAC-JYJNAYRXSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000572226722 314124710 /nfs/dbraw/zinc/12/47/10/314124710.db2.gz NGBCODWOELVPAC-JYJNAYRXSA-N 2 1 268.445 2.201 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000380482373 540133105 /nfs/dbraw/zinc/13/31/05/540133105.db2.gz LHZXQSWVENNMPH-JKIFEVAISA-N 2 1 274.408 2.469 20 0 CEADMP CCO[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)C[C@H]1C[NH3+] ZINC000405996130 540138469 /nfs/dbraw/zinc/13/84/69/540138469.db2.gz NWFAXVLKSPBYQK-TZMCWYRMSA-N 2 1 254.418 2.108 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CSC2(C)C)[C@@H]2CCC[C@@H]21 ZINC000353604170 283141818 /nfs/dbraw/zinc/14/18/18/283141818.db2.gz IQULRCWACODOEV-ZDEQEGDKSA-N 2 1 254.443 2.343 20 0 CEADMP CC1CCN([C@H](C[NH2+]CCC[NH3+])c2cccs2)CC1 ZINC000415074820 540249703 /nfs/dbraw/zinc/24/97/03/540249703.db2.gz AWANFTVCZFVHDU-CQSZACIVSA-N 2 1 281.469 2.460 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000353492200 283186673 /nfs/dbraw/zinc/18/66/73/283186673.db2.gz UBIFZOWRHXWDDI-OWCLPIDISA-N 2 1 269.477 2.427 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000353492200 283186674 /nfs/dbraw/zinc/18/66/74/283186674.db2.gz UBIFZOWRHXWDDI-OWCLPIDISA-N 2 1 269.477 2.427 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000353492200 283186675 /nfs/dbraw/zinc/18/66/75/283186675.db2.gz UBIFZOWRHXWDDI-OWCLPIDISA-N 2 1 269.477 2.427 20 0 CEADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)CCC[NH3+] ZINC000575922919 366373860 /nfs/dbraw/zinc/37/38/60/366373860.db2.gz OPURVGSVODWKRG-UHFFFAOYSA-N 2 1 276.359 2.100 20 0 CEADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)CCC[NH3+] ZINC000575922919 366373867 /nfs/dbraw/zinc/37/38/67/366373867.db2.gz OPURVGSVODWKRG-UHFFFAOYSA-N 2 1 276.359 2.100 20 0 CEADMP Fc1ccc2c(c1)OC[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000575936198 366375541 /nfs/dbraw/zinc/37/55/41/366375541.db2.gz NWZHMLAAFAJNHV-HNNXBMFYSA-N 2 1 290.382 2.346 20 0 CEADMP CCCN(CC[NH+]1CCCCC1)C(=O)C[N@@H+](CC)C1CC1 ZINC000342791213 283244891 /nfs/dbraw/zinc/24/48/91/283244891.db2.gz SWMZDIVMYSUVKW-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP C[NH+](CCCCC[N@H+](C)[C@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000352232349 540297638 /nfs/dbraw/zinc/29/76/38/540297638.db2.gz URGOGJLQOXSCPF-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP C[NH+](CCCCC[N@H+](C)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000352232349 540297641 /nfs/dbraw/zinc/29/76/41/540297641.db2.gz URGOGJLQOXSCPF-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP C[NH+](CCCCC[N@@H+](C)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000352232349 540297643 /nfs/dbraw/zinc/29/76/43/540297643.db2.gz URGOGJLQOXSCPF-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP Cn1cncc1CNCc1cnc(C2CCC2)s1 ZINC000352446895 540301600 /nfs/dbraw/zinc/30/16/00/540301600.db2.gz HVDRANUYHOJGFG-UHFFFAOYSA-N 2 1 262.382 2.434 20 0 CEADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(C(C)(C)C)s1 ZINC000166171714 540332856 /nfs/dbraw/zinc/33/28/56/540332856.db2.gz RSKQAQVVCQIZLC-UHFFFAOYSA-N 2 1 295.496 2.383 20 0 CEADMP CCC[NH+]1CCC(N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000311104462 283321034 /nfs/dbraw/zinc/32/10/34/283321034.db2.gz STTLPKGVHBTLSO-AWEZNQCLSA-N 2 1 255.450 2.179 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH2+][C@H](COC(N)=O)Cc1ccccc1 ZINC000496426081 291138221 /nfs/dbraw/zinc/13/82/21/291138221.db2.gz VSWXZDZLVDMAKT-GJZGRUSLSA-N 2 1 293.411 2.070 20 0 CEADMP CCO[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000570768769 299276829 /nfs/dbraw/zinc/27/68/29/299276829.db2.gz PEDHFCXNXWFUJD-IAGOWNOFSA-N 2 1 274.408 2.418 20 0 CEADMP CCn1nc(C[NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000414846184 236515193 /nfs/dbraw/zinc/51/51/93/236515193.db2.gz DSUXATSHZGCRON-ZDUSSCGKSA-N 2 1 272.396 2.145 20 0 CEADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC[C@H]3CCC[NH2+]C3)CC[NH2+]2)cc1 ZINC000414835225 236508859 /nfs/dbraw/zinc/50/88/59/236508859.db2.gz ICCJZPQJOZYIOZ-NJAFHUGGSA-N 3 1 287.451 2.459 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000577859574 366407099 /nfs/dbraw/zinc/40/70/99/366407099.db2.gz DWQYADFBGMVBGI-JFIYKMOQSA-N 2 1 290.451 2.473 20 0 CEADMP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000577898345 366413837 /nfs/dbraw/zinc/41/38/37/366413837.db2.gz LPSJLYHLNQNHHE-XHSDSOJGSA-N 2 1 259.397 2.352 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000578187315 366455024 /nfs/dbraw/zinc/45/50/24/366455024.db2.gz XWRUCHUWIUYSME-XPCVCDNBSA-N 2 1 282.453 2.490 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000578187315 366455026 /nfs/dbraw/zinc/45/50/26/366455026.db2.gz XWRUCHUWIUYSME-XPCVCDNBSA-N 2 1 282.453 2.490 20 0 CEADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000578185530 366455242 /nfs/dbraw/zinc/45/52/42/366455242.db2.gz RFJGUBOJJPFQGX-UKRRQHHQSA-N 2 1 275.396 2.135 20 0 CEADMP C[C@@H](CCC1CC1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415053784 236611197 /nfs/dbraw/zinc/61/11/97/236611197.db2.gz MVXLUYBNPHHNLU-OOHWJJMZSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000496844777 291176258 /nfs/dbraw/zinc/17/62/58/291176258.db2.gz HNBRXSZJFNSKCI-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCCNC(=O)OC(C)(C)C ZINC000496844777 291176259 /nfs/dbraw/zinc/17/62/59/291176259.db2.gz HNBRXSZJFNSKCI-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCCNC(=O)OC(C)(C)C ZINC000496844777 291176262 /nfs/dbraw/zinc/17/62/62/291176262.db2.gz HNBRXSZJFNSKCI-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000496844777 291176264 /nfs/dbraw/zinc/17/62/64/291176264.db2.gz HNBRXSZJFNSKCI-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000496844777 291176267 /nfs/dbraw/zinc/17/62/67/291176267.db2.gz HNBRXSZJFNSKCI-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000311654856 540457449 /nfs/dbraw/zinc/45/74/49/540457449.db2.gz DQESKPGIYAHLLO-HOCLYGCPSA-N 2 1 264.413 2.347 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000311654856 540457453 /nfs/dbraw/zinc/45/74/53/540457453.db2.gz DQESKPGIYAHLLO-HOCLYGCPSA-N 2 1 264.413 2.347 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000666852298 540509453 /nfs/dbraw/zinc/50/94/53/540509453.db2.gz ZWPHFEHVLNYLKJ-ZIAGYGMSSA-N 2 1 270.380 2.436 20 0 CEADMP COc1nc2ccccc2cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856690 540510656 /nfs/dbraw/zinc/51/06/56/540510656.db2.gz YYQRGHXLNKMMKY-OAHLLOKOSA-N 2 1 285.391 2.475 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667868590 540525762 /nfs/dbraw/zinc/52/57/62/540525762.db2.gz AUGXMDWYYRHOCM-WCVJEAGWSA-N 2 1 266.429 2.002 20 0 CEADMP CCC1CCC([N@@H+](CCO)Cc2cnc(C)n2C)CC1 ZINC000668057198 540561188 /nfs/dbraw/zinc/56/11/88/540561188.db2.gz GNSLTZAHXHHZDS-UHFFFAOYSA-N 2 1 279.428 2.492 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000341582882 216021787 /nfs/dbraw/zinc/02/17/87/216021787.db2.gz JETQXCSKKZQCOX-AWEZNQCLSA-N 2 1 295.427 2.121 20 0 CEADMP CCn1cncc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000417730078 237257461 /nfs/dbraw/zinc/25/74/61/237257461.db2.gz MBJOMNINTCAXKF-GFCCVEGCSA-N 2 1 259.357 2.006 20 0 CEADMP Cc1ccnc(C)c1NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000297081682 200080217 /nfs/dbraw/zinc/08/02/17/200080217.db2.gz OXYDDGMFYUGXCL-MRXNPFEDSA-N 2 1 288.395 2.258 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000336267338 213104374 /nfs/dbraw/zinc/10/43/74/213104374.db2.gz JZXMKYDVZQMRTH-HNNXBMFYSA-N 2 1 280.456 2.488 20 0 CEADMP COC(=O)c1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)oc1C ZINC000297419964 200183921 /nfs/dbraw/zinc/18/39/21/200183921.db2.gz DNWMDORGJWILLI-UHFFFAOYSA-N 2 1 299.330 2.312 20 0 CEADMP CC[C@H](C[NH+]1CCCC1)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000672901945 540644918 /nfs/dbraw/zinc/64/49/18/540644918.db2.gz FYGQEUKTOVJCEH-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@H](C(=O)N1[C@H](C)C[N@H+](CC)C[C@@H]1C)[NH+](CC)CC ZINC000578883209 366562808 /nfs/dbraw/zinc/56/28/08/366562808.db2.gz UBVROGNKUHSINV-QLFBSQMISA-N 2 1 283.460 2.048 20 0 CEADMP CCC[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000578899053 366564607 /nfs/dbraw/zinc/56/46/07/366564607.db2.gz LOFZMOCRSRSRSW-QGZVFWFLSA-N 2 1 274.408 2.333 20 0 CEADMP CCC[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000578899053 366564611 /nfs/dbraw/zinc/56/46/11/366564611.db2.gz LOFZMOCRSRSRSW-QGZVFWFLSA-N 2 1 274.408 2.333 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2sc(C)nc2C)C1 ZINC000080693657 363679504 /nfs/dbraw/zinc/67/95/04/363679504.db2.gz ITRPTJNOKIUEIW-LBPRGKRZSA-N 2 1 253.415 2.191 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2sc(C)nc2C)C1 ZINC000080693657 363679505 /nfs/dbraw/zinc/67/95/05/363679505.db2.gz ITRPTJNOKIUEIW-LBPRGKRZSA-N 2 1 253.415 2.191 20 0 CEADMP CCn1ccnc1[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000297913919 200303496 /nfs/dbraw/zinc/30/34/96/200303496.db2.gz WTSGLPGODURXKO-CHWSQXEVSA-N 2 1 275.400 2.395 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccccc1SC ZINC000579369929 366637060 /nfs/dbraw/zinc/63/70/60/366637060.db2.gz RUNBFYQIPBNANM-QWHCGFSZSA-N 2 1 282.453 2.372 20 0 CEADMP Fc1cccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000339066033 366638402 /nfs/dbraw/zinc/63/84/02/366638402.db2.gz AKFUJAFHEIITQR-LSDHHAIUSA-N 2 1 278.371 2.421 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000339068610 366638563 /nfs/dbraw/zinc/63/85/63/366638563.db2.gz LHMIKLPUFLUPNQ-UONOGXRCSA-N 2 1 292.427 2.342 20 0 CEADMP C[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339065621 366638625 /nfs/dbraw/zinc/63/86/25/366638625.db2.gz BPWFOMTVBFZUEL-WOPDTQHZSA-N 2 1 280.334 2.170 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579673441 366679562 /nfs/dbraw/zinc/67/95/62/366679562.db2.gz DIJGVJFOPDEMES-LXTVHRRPSA-N 2 1 254.418 2.264 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccccn2)C1 ZINC000081516919 363723581 /nfs/dbraw/zinc/72/35/81/363723581.db2.gz LJEXTFGANFRKIZ-HNNXBMFYSA-N 2 1 261.413 2.288 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccccn2)C1 ZINC000081516919 363723583 /nfs/dbraw/zinc/72/35/83/363723583.db2.gz LJEXTFGANFRKIZ-HNNXBMFYSA-N 2 1 261.413 2.288 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000081516919 363723585 /nfs/dbraw/zinc/72/35/85/363723585.db2.gz LJEXTFGANFRKIZ-HNNXBMFYSA-N 2 1 261.413 2.288 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000081516919 363723588 /nfs/dbraw/zinc/72/35/88/363723588.db2.gz LJEXTFGANFRKIZ-HNNXBMFYSA-N 2 1 261.413 2.288 20 0 CEADMP CCC[NH+]1CCC(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000339159053 366681689 /nfs/dbraw/zinc/68/16/89/366681689.db2.gz GKKTXPZVBHHSOU-ZNMIVQPWSA-N 2 1 295.471 2.238 20 0 CEADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000674002235 540715933 /nfs/dbraw/zinc/71/59/33/540715933.db2.gz HNENRRCNXWYJFZ-MRXNPFEDSA-N 2 1 289.423 2.479 20 0 CEADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000674002235 540715935 /nfs/dbraw/zinc/71/59/35/540715935.db2.gz HNENRRCNXWYJFZ-MRXNPFEDSA-N 2 1 289.423 2.479 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CCO)c2ccccc2)CC[N@H+]1C ZINC000178644472 189133475 /nfs/dbraw/zinc/13/34/75/189133475.db2.gz VHGAGKUJATZPLF-OIISXLGYSA-N 2 1 276.424 2.225 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCN2Cc3ccccc3C2)[C@@H](C)C1 ZINC000675780532 540873285 /nfs/dbraw/zinc/87/32/85/540873285.db2.gz PXCWOCARCHRCPX-YJBOKZPZSA-N 2 1 287.451 2.322 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000676207429 540905680 /nfs/dbraw/zinc/90/56/80/540905680.db2.gz DEFNNQCENRTKEE-LSDHHAIUSA-N 3 1 269.477 2.427 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000676207429 540905681 /nfs/dbraw/zinc/90/56/81/540905681.db2.gz DEFNNQCENRTKEE-LSDHHAIUSA-N 3 1 269.477 2.427 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCC2(C)C)s1 ZINC000342197661 216256118 /nfs/dbraw/zinc/25/61/18/216256118.db2.gz HTQJNSISAAENLW-LLVKDONJSA-N 2 1 253.415 2.483 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCC2(C)C)s1 ZINC000342197663 216256274 /nfs/dbraw/zinc/25/62/74/216256274.db2.gz HTQJNSISAAENLW-NSHDSACASA-N 2 1 253.415 2.483 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000268836439 540938532 /nfs/dbraw/zinc/93/85/32/540938532.db2.gz MARDUHMTXVOJLR-QGZVFWFLSA-N 2 1 292.398 2.249 20 0 CEADMP CCCc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000676907694 540967808 /nfs/dbraw/zinc/96/78/08/540967808.db2.gz LEKZUYJBFSYCLY-MRXNPFEDSA-N 2 1 264.413 2.041 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000180680443 189269677 /nfs/dbraw/zinc/26/96/77/189269677.db2.gz NESDLCCNSYJJBI-VXGBXAGGSA-N 2 1 284.350 2.416 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(F)c(F)c2)CC[N@H+]1C ZINC000180680443 189269678 /nfs/dbraw/zinc/26/96/78/189269678.db2.gz NESDLCCNSYJJBI-VXGBXAGGSA-N 2 1 284.350 2.416 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000152530274 366701726 /nfs/dbraw/zinc/70/17/26/366701726.db2.gz NMWGXDCUFNFVJQ-RYRKJORJSA-N 2 1 287.451 2.443 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000579898048 366717868 /nfs/dbraw/zinc/71/78/68/366717868.db2.gz XFJXSLAOACQBFC-LZWOXQAQSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000579898048 366717875 /nfs/dbraw/zinc/71/78/75/366717875.db2.gz XFJXSLAOACQBFC-LZWOXQAQSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000579898048 366717885 /nfs/dbraw/zinc/71/78/85/366717885.db2.gz XFJXSLAOACQBFC-LZWOXQAQSA-N 2 1 267.461 2.179 20 0 CEADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000237064482 370686195 /nfs/dbraw/zinc/68/61/95/370686195.db2.gz KLLJFXQTJNEJEC-SOUVJXGZSA-N 2 1 283.460 2.131 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)C(C)C)CC1 ZINC000154469050 366774492 /nfs/dbraw/zinc/77/44/92/366774492.db2.gz VLYSLGQHSNWQTQ-HNNXBMFYSA-N 2 1 255.450 2.038 20 0 CEADMP CCOC(=O)[C@H](CC)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000084120908 363797927 /nfs/dbraw/zinc/79/79/27/363797927.db2.gz JVUQZFRLCBJEPY-HNNXBMFYSA-N 2 1 282.428 2.136 20 0 CEADMP CCC1(O)CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000678549379 541148284 /nfs/dbraw/zinc/14/82/84/541148284.db2.gz VCFZNSNIBMBYMT-FEWQNLEASA-N 2 1 254.418 2.142 20 0 CEADMP CCC1(O)CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000678549379 541148285 /nfs/dbraw/zinc/14/82/85/541148285.db2.gz VCFZNSNIBMBYMT-FEWQNLEASA-N 2 1 254.418 2.142 20 0 CEADMP C[C@@H](CCNc1nc(N(C)C)cc[nH+]1)[NH+]1CCCCC1 ZINC000302111771 201345789 /nfs/dbraw/zinc/34/57/89/201345789.db2.gz AZGQEPVDMHJGLH-ZDUSSCGKSA-N 2 1 277.416 2.219 20 0 CEADMP C[C@@H](CCCCO)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000679335988 541258440 /nfs/dbraw/zinc/25/84/40/541258440.db2.gz JFXABLNTOQCCGQ-HRCADAONSA-N 2 1 286.460 2.017 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1(C)C ZINC000085397714 363835515 /nfs/dbraw/zinc/83/55/15/363835515.db2.gz WIADNNWZMCANTQ-ZIAGYGMSSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000087771428 363869890 /nfs/dbraw/zinc/86/98/90/363869890.db2.gz GMXSZXBGLQHOIU-QWRGUYRKSA-N 2 1 264.373 2.028 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000087771428 363869891 /nfs/dbraw/zinc/86/98/91/363869891.db2.gz GMXSZXBGLQHOIU-QWRGUYRKSA-N 2 1 264.373 2.028 20 0 CEADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)n(C)n1 ZINC000089182219 363947838 /nfs/dbraw/zinc/94/78/38/363947838.db2.gz JQJYQPHOFNZGTQ-AWEZNQCLSA-N 2 1 264.417 2.083 20 0 CEADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)n(C)n1 ZINC000089182219 363947844 /nfs/dbraw/zinc/94/78/44/363947844.db2.gz JQJYQPHOFNZGTQ-AWEZNQCLSA-N 2 1 264.417 2.083 20 0 CEADMP Cc1ccc(CN[C@@H]2C[N@@H+](C)C[C@H]2C)c(N2CCCC2)n1 ZINC000679720704 541312713 /nfs/dbraw/zinc/31/27/13/541312713.db2.gz AYSWDKAOBCXTFJ-CZUORRHYSA-N 2 1 288.439 2.030 20 0 CEADMP Cc1ccc(CN[C@@H]2C[N@H+](C)C[C@H]2C)c(N2CCCC2)n1 ZINC000679720704 541312718 /nfs/dbraw/zinc/31/27/18/541312718.db2.gz AYSWDKAOBCXTFJ-CZUORRHYSA-N 2 1 288.439 2.030 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)CC1 ZINC000093132825 364143395 /nfs/dbraw/zinc/14/33/95/364143395.db2.gz JSUUSIRUQZHTJC-HNNXBMFYSA-N 2 1 293.480 2.268 20 0 CEADMP COCCc1nc(C)c([C@@H](C)[NH2+]CCC[NH+](C)C)s1 ZINC000092719790 364101430 /nfs/dbraw/zinc/10/14/30/364101430.db2.gz POVGLRKZFQZGQB-LLVKDONJSA-N 2 1 285.457 2.243 20 0 CEADMP C1CC1[NH+]1CCC(N[C@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000093452310 364184279 /nfs/dbraw/zinc/18/42/79/364184279.db2.gz TYVKDPTZLZUONM-ULQDDVLXSA-N 2 1 277.456 2.124 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000237494210 370727260 /nfs/dbraw/zinc/72/72/60/370727260.db2.gz LUWVIRRQDPYNGI-RDJZCZTQSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)N(C)C)C1 ZINC000356584204 370764338 /nfs/dbraw/zinc/76/43/38/370764338.db2.gz WQJJBTQBPYAKIU-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)N(C)C)C1 ZINC000356584204 370764343 /nfs/dbraw/zinc/76/43/43/370764343.db2.gz WQJJBTQBPYAKIU-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 ZINC000356584204 370764347 /nfs/dbraw/zinc/76/43/47/370764347.db2.gz WQJJBTQBPYAKIU-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP COc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])cc(OC)c1 ZINC000093861267 364236131 /nfs/dbraw/zinc/23/61/31/364236131.db2.gz GEDVLQDIOAINNF-UHFFFAOYSA-N 2 1 266.385 2.121 20 0 CEADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CC[N@@H+](C)C3)ccc21 ZINC000334746793 364259532 /nfs/dbraw/zinc/25/95/32/364259532.db2.gz CIKYSPBDHAKKFT-CZUORRHYSA-N 2 1 287.407 2.126 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000356613688 370774228 /nfs/dbraw/zinc/77/42/28/370774228.db2.gz GJKMSXCTZLQOKW-JONQDZQNSA-N 2 1 297.487 2.484 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000356613688 370774231 /nfs/dbraw/zinc/77/42/31/370774231.db2.gz GJKMSXCTZLQOKW-JONQDZQNSA-N 2 1 297.487 2.484 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000356613688 370774235 /nfs/dbraw/zinc/77/42/35/370774235.db2.gz GJKMSXCTZLQOKW-JONQDZQNSA-N 2 1 297.487 2.484 20 0 CEADMP C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000094341659 364268794 /nfs/dbraw/zinc/26/87/94/364268794.db2.gz TZEXWRJGETZXRF-FZMZJTMJSA-N 2 1 295.814 2.338 20 0 CEADMP Cc1ccc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000334999038 364330454 /nfs/dbraw/zinc/33/04/54/364330454.db2.gz ZGHVIWDHOXPQMK-CALCHBBNSA-N 2 1 258.409 2.469 20 0 CEADMP Cc1ncc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000334867383 364278944 /nfs/dbraw/zinc/27/89/44/364278944.db2.gz DEXNUTCFKMVFCX-OCCSQVGLSA-N 2 1 265.426 2.416 20 0 CEADMP Cc1ncc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000334867383 364278950 /nfs/dbraw/zinc/27/89/50/364278950.db2.gz DEXNUTCFKMVFCX-OCCSQVGLSA-N 2 1 265.426 2.416 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000094722732 364291247 /nfs/dbraw/zinc/29/12/47/364291247.db2.gz XZYKXUQKOUCGAG-OCCSQVGLSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000094722732 364291251 /nfs/dbraw/zinc/29/12/51/364291251.db2.gz XZYKXUQKOUCGAG-OCCSQVGLSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1cccc2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn21 ZINC000334979931 364304092 /nfs/dbraw/zinc/30/40/92/364304092.db2.gz KPWFXCNXMONLGQ-HOTGVXAUSA-N 2 1 298.434 2.464 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000335041302 364390529 /nfs/dbraw/zinc/39/05/29/364390529.db2.gz HAJCDDQFYICDHI-GWCFXTLKSA-N 2 1 253.777 2.213 20 0 CEADMP C[C@H]1CCC[C@](C[NH2+]C2CCOCC2)([NH+](C)C)C1 ZINC000095499534 364391784 /nfs/dbraw/zinc/39/17/84/364391784.db2.gz LCHRCTRUIDOSTA-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP Clc1ccccc1CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000680044879 541359203 /nfs/dbraw/zinc/35/92/03/541359203.db2.gz CNTBFBHXDFRLEG-ZIAGYGMSSA-N 2 1 264.800 2.424 20 0 CEADMP CCN(C)c1ccc(CNC[C@@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000572081149 299344238 /nfs/dbraw/zinc/34/42/38/299344238.db2.gz RLZPYWZLOJWDJT-INIZCTEOSA-N 2 1 290.455 2.358 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000572081149 299344241 /nfs/dbraw/zinc/34/42/41/299344241.db2.gz RLZPYWZLOJWDJT-INIZCTEOSA-N 2 1 290.455 2.358 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000572081149 299344245 /nfs/dbraw/zinc/34/42/45/299344245.db2.gz RLZPYWZLOJWDJT-INIZCTEOSA-N 2 1 290.455 2.358 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CC(C)C)C1 ZINC000582011216 366849611 /nfs/dbraw/zinc/84/96/11/366849611.db2.gz UEGJNQANQVWQOW-LSDHHAIUSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000582011216 366849615 /nfs/dbraw/zinc/84/96/15/366849615.db2.gz UEGJNQANQVWQOW-LSDHHAIUSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000582011216 366849618 /nfs/dbraw/zinc/84/96/18/366849618.db2.gz UEGJNQANQVWQOW-LSDHHAIUSA-N 2 1 256.434 2.057 20 0 CEADMP CC(C)=CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000335109742 364490857 /nfs/dbraw/zinc/49/08/57/364490857.db2.gz FTNFBYAKEFOWSZ-OAHLLOKOSA-N 2 1 265.445 2.053 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000582058379 366854798 /nfs/dbraw/zinc/85/47/98/366854798.db2.gz YSXBMJPZACLVJQ-RDJZCZTQSA-N 2 1 294.414 2.051 20 0 CEADMP Cc1ncsc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000335147821 364542722 /nfs/dbraw/zinc/54/27/22/364542722.db2.gz QMNPDHZPBGEMLM-STQMWFEESA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C)n1 ZINC000335193863 364605886 /nfs/dbraw/zinc/60/58/86/364605886.db2.gz QVLMWTPRAXNNRW-JKSUJKDBSA-N 2 1 259.397 2.415 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C)n1 ZINC000335193863 364605893 /nfs/dbraw/zinc/60/58/93/364605893.db2.gz QVLMWTPRAXNNRW-JKSUJKDBSA-N 2 1 259.397 2.415 20 0 CEADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)c1 ZINC000335643843 212359620 /nfs/dbraw/zinc/35/96/20/212359620.db2.gz NQWFHIUBNVFWCN-GOSISDBHSA-N 2 1 296.418 2.448 20 0 CEADMP C[N@H+](CCCO)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000115545934 365012129 /nfs/dbraw/zinc/01/21/29/365012129.db2.gz QFWDTOYBCHNIKA-UHFFFAOYSA-N 2 1 290.451 2.398 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000115545934 365012137 /nfs/dbraw/zinc/01/21/37/365012137.db2.gz QFWDTOYBCHNIKA-UHFFFAOYSA-N 2 1 290.451 2.398 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000335866362 365089758 /nfs/dbraw/zinc/08/97/58/365089758.db2.gz XHBGXXHLORVDCI-SUMWQHHRSA-N 2 1 284.407 2.350 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000335866362 365089761 /nfs/dbraw/zinc/08/97/61/365089761.db2.gz XHBGXXHLORVDCI-SUMWQHHRSA-N 2 1 284.407 2.350 20 0 CEADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC000357095881 370805603 /nfs/dbraw/zinc/80/56/03/370805603.db2.gz AGLFMCNMMQLWTP-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000119254563 365243100 /nfs/dbraw/zinc/24/31/00/365243100.db2.gz HPCNLGQFSLNMDA-YJBOKZPZSA-N 2 1 298.434 2.361 20 0 CEADMP Cc1cccc(CC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000582178249 366873890 /nfs/dbraw/zinc/87/38/90/366873890.db2.gz QSAKYOPSIQNIIV-ZBFHGGJFSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cccc(CC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000582178249 366873896 /nfs/dbraw/zinc/87/38/96/366873896.db2.gz QSAKYOPSIQNIIV-ZBFHGGJFSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cccc(CC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000582178249 366873902 /nfs/dbraw/zinc/87/39/02/366873902.db2.gz QSAKYOPSIQNIIV-ZBFHGGJFSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cccc(CC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000582178249 366873905 /nfs/dbraw/zinc/87/39/05/366873905.db2.gz QSAKYOPSIQNIIV-ZBFHGGJFSA-N 2 1 261.413 2.347 20 0 CEADMP OCCC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000582186267 366876362 /nfs/dbraw/zinc/87/63/62/366876362.db2.gz UBDIXGQFJYAKEO-MRXNPFEDSA-N 2 1 276.424 2.261 20 0 CEADMP C[C@@H]1C[C@@H](CN2CCC3(CCC[N@H+]3C)CC2)CCO1 ZINC000336092748 365396991 /nfs/dbraw/zinc/39/69/91/365396991.db2.gz JHMGPSNQSJSVAQ-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+]2CCC3(CCC[N@@H+]3C)CC2)CCO1 ZINC000336092748 365396997 /nfs/dbraw/zinc/39/69/97/365396997.db2.gz JHMGPSNQSJSVAQ-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+]2CCC3(CCC[N@H+]3C)CC2)CCO1 ZINC000336092748 365397007 /nfs/dbraw/zinc/39/70/07/365397007.db2.gz JHMGPSNQSJSVAQ-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cccn2C)C1 ZINC000120759159 365470903 /nfs/dbraw/zinc/47/09/03/365470903.db2.gz YLVRRMBNUNGYTM-OAHLLOKOSA-N 2 1 263.429 2.483 20 0 CEADMP Cc1cccn2c(CN3CC[C@]4(CC[N@H+](C)C4)C3)cnc12 ZINC000336113244 365425144 /nfs/dbraw/zinc/42/51/44/365425144.db2.gz QXORKFUKYYIGLT-KRWDZBQOSA-N 2 1 284.407 2.170 20 0 CEADMP NC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336126875 365447612 /nfs/dbraw/zinc/44/76/12/365447612.db2.gz WMPZOHMWFNMLDE-CQSZACIVSA-N 2 1 291.370 2.478 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000582677636 366944168 /nfs/dbraw/zinc/94/41/68/366944168.db2.gz SXKXTCLZOIJQMJ-QRJUGERDSA-N 2 1 267.461 2.212 20 0 CEADMP CC(C)[NH2+]CCC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000582545007 366923465 /nfs/dbraw/zinc/92/34/65/366923465.db2.gz HVRLYDZSHJKKHJ-OWCLPIDISA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H](Cc1ccsc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000582943480 366979349 /nfs/dbraw/zinc/97/93/49/366979349.db2.gz SXBFJEGBEOKZFF-CQSZACIVSA-N 2 1 295.496 2.295 20 0 CEADMP CC(C)n1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000582980627 366986442 /nfs/dbraw/zinc/98/64/42/366986442.db2.gz XBFNKYCKUWTLJM-BZUAXINKSA-N 2 1 276.428 2.426 20 0 CEADMP CC(C)n1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000582980627 366986452 /nfs/dbraw/zinc/98/64/52/366986452.db2.gz XBFNKYCKUWTLJM-BZUAXINKSA-N 2 1 276.428 2.426 20 0 CEADMP COc1ccccc1OCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583263780 367023163 /nfs/dbraw/zinc/02/31/63/367023163.db2.gz RSISCTXJEGPHGL-QGZVFWFLSA-N 2 1 290.407 2.150 20 0 CEADMP COc1ccccc1OCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583263780 367023166 /nfs/dbraw/zinc/02/31/66/367023166.db2.gz RSISCTXJEGPHGL-QGZVFWFLSA-N 2 1 290.407 2.150 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000583374734 367040006 /nfs/dbraw/zinc/04/00/06/367040006.db2.gz WWGZFZKJPPIMNN-LBPRGKRZSA-N 2 1 274.368 2.101 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000583374734 367040012 /nfs/dbraw/zinc/04/00/12/367040012.db2.gz WWGZFZKJPPIMNN-LBPRGKRZSA-N 2 1 274.368 2.101 20 0 CEADMP Cc1c(Cl)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nn1C ZINC000335553339 212257826 /nfs/dbraw/zinc/25/78/26/212257826.db2.gz APDQNYWBOSALJA-QWHCGFSZSA-N 2 1 296.846 2.203 20 0 CEADMP Cc1c(Cl)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nn1C ZINC000335553339 212257829 /nfs/dbraw/zinc/25/78/29/212257829.db2.gz APDQNYWBOSALJA-QWHCGFSZSA-N 2 1 296.846 2.203 20 0 CEADMP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000583753454 367092225 /nfs/dbraw/zinc/09/22/25/367092225.db2.gz FVWGOJDDHQVFDW-GFCCVEGCSA-N 2 1 258.369 2.213 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000163196691 367224143 /nfs/dbraw/zinc/22/41/43/367224143.db2.gz IFHCFYHBIIEWPE-PWSUYJOCSA-N 2 1 270.323 2.457 20 0 CEADMP CC(=O)c1ccccc1OCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163796431 367264776 /nfs/dbraw/zinc/26/47/76/367264776.db2.gz QLNRCEOCSZZGNY-HIFRSBDPSA-N 2 1 290.407 2.185 20 0 CEADMP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163796431 367264779 /nfs/dbraw/zinc/26/47/79/367264779.db2.gz QLNRCEOCSZZGNY-HIFRSBDPSA-N 2 1 290.407 2.185 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000163237339 367226455 /nfs/dbraw/zinc/22/64/55/367226455.db2.gz ASSWSSMUFHKQKP-TZMCWYRMSA-N 2 1 255.365 2.404 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](COC)Cc2ccccc2)C1 ZINC000163266349 367227469 /nfs/dbraw/zinc/22/74/69/367227469.db2.gz LTLQJPLDVGCIHV-SJORKVTESA-N 2 1 276.424 2.176 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOCC(C)C)[C@H](C)C1 ZINC000163290625 367228716 /nfs/dbraw/zinc/22/87/16/367228716.db2.gz ACBFUKYHKHIYSY-HUUCEWRRSA-N 2 1 256.434 2.369 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000163479350 367243504 /nfs/dbraw/zinc/24/35/04/367243504.db2.gz NSVITCBQLHEVJT-CJNGLKHVSA-N 2 1 262.397 2.250 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000341247831 367243795 /nfs/dbraw/zinc/24/37/95/367243795.db2.gz UKYPYCUPWWCSAI-GZBFAFLISA-N 2 1 277.412 2.094 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000341247831 367243799 /nfs/dbraw/zinc/24/37/99/367243799.db2.gz UKYPYCUPWWCSAI-GZBFAFLISA-N 2 1 277.412 2.094 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000163501722 367244876 /nfs/dbraw/zinc/24/48/76/367244876.db2.gz KXYCNYCNNXHYPO-LSDHHAIUSA-N 2 1 255.450 2.038 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000163501722 367244878 /nfs/dbraw/zinc/24/48/78/367244878.db2.gz KXYCNYCNNXHYPO-LSDHHAIUSA-N 2 1 255.450 2.038 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000163501722 367244880 /nfs/dbraw/zinc/24/48/80/367244880.db2.gz KXYCNYCNNXHYPO-LSDHHAIUSA-N 2 1 255.450 2.038 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000341409610 367326030 /nfs/dbraw/zinc/32/60/30/367326030.db2.gz SUJNIPPMMKDOTG-UHFFFAOYSA-N 2 1 295.390 2.356 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000342809890 367549325 /nfs/dbraw/zinc/54/93/25/367549325.db2.gz MNASLDLVYGHVBR-JQWIXIFHSA-N 2 1 285.338 2.113 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000342809890 367549333 /nfs/dbraw/zinc/54/93/33/367549333.db2.gz MNASLDLVYGHVBR-JQWIXIFHSA-N 2 1 285.338 2.113 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc2c1CCOC2 ZINC000631821321 367559540 /nfs/dbraw/zinc/55/95/40/367559540.db2.gz VHLPMQKAAHEFDQ-DYVFJYSZSA-N 2 1 274.408 2.461 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc2c1CCOC2 ZINC000631821321 367559545 /nfs/dbraw/zinc/55/95/45/367559545.db2.gz VHLPMQKAAHEFDQ-DYVFJYSZSA-N 2 1 274.408 2.461 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2CCOC3)CC[N@H+]1C ZINC000631730064 367507790 /nfs/dbraw/zinc/50/77/90/367507790.db2.gz VOBTWUQPXFUSFJ-BBRMVZONSA-N 2 1 274.408 2.332 20 0 CEADMP [NH3+][C@H]1CCCCC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000631832526 367571629 /nfs/dbraw/zinc/57/16/29/367571629.db2.gz HXKRWYTYSQIZQU-AWEZNQCLSA-N 2 1 293.386 2.358 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000631832526 367571636 /nfs/dbraw/zinc/57/16/36/367571636.db2.gz HXKRWYTYSQIZQU-AWEZNQCLSA-N 2 1 293.386 2.358 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838157 367577513 /nfs/dbraw/zinc/57/75/13/367577513.db2.gz JQQCAAZPSRTYAH-VNHYZAJKSA-N 2 1 289.423 2.103 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838157 367577517 /nfs/dbraw/zinc/57/75/17/367577517.db2.gz JQQCAAZPSRTYAH-VNHYZAJKSA-N 2 1 289.423 2.103 20 0 CEADMP C[C@@H]1C[N@@H+](CCSc2ccccc2)C[C@H]1C[NH3+] ZINC000631840211 367580305 /nfs/dbraw/zinc/58/03/05/367580305.db2.gz ASJAQVGCMHGQES-CHWSQXEVSA-N 2 1 250.411 2.305 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000631834191 367573310 /nfs/dbraw/zinc/57/33/10/367573310.db2.gz QYVBLCXAJGYHAM-NSHDSACASA-N 2 1 268.323 2.159 20 0 CEADMP Cn1c2ccccc2nc1CC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834068 367574153 /nfs/dbraw/zinc/57/41/53/367574153.db2.gz NYOSWKDZZBMCPU-CQSZACIVSA-N 2 1 286.423 2.319 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834068 367574157 /nfs/dbraw/zinc/57/41/57/367574157.db2.gz NYOSWKDZZBMCPU-CQSZACIVSA-N 2 1 286.423 2.319 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)nc2)C[C@H]1C[NH3+] ZINC000631837091 367576914 /nfs/dbraw/zinc/57/69/14/367576914.db2.gz MSVFRYDWWNTACL-CZUORRHYSA-N 2 1 282.391 2.170 20 0 CEADMP CSc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837348 367577039 /nfs/dbraw/zinc/57/70/39/367577039.db2.gz AQPBPKZPXIUHOJ-DGCLKSJQSA-N 2 1 250.411 2.435 20 0 CEADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000631872611 367604205 /nfs/dbraw/zinc/60/42/05/367604205.db2.gz CWQYMQSSQSCQHW-JKSUJKDBSA-N 2 1 278.440 2.410 20 0 CEADMP c1ccc2c(CC[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)noc2c1 ZINC000631888949 367610763 /nfs/dbraw/zinc/61/07/63/367610763.db2.gz AATFKSDOIRYANK-BBRMVZONSA-N 2 1 285.391 2.444 20 0 CEADMP CCOc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)n1 ZINC000343155269 367687938 /nfs/dbraw/zinc/68/79/38/367687938.db2.gz UGQRLJDNSFIKRQ-ZDUSSCGKSA-N 2 1 288.395 2.411 20 0 CEADMP C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)COC1CCCC1 ZINC000343242960 367720440 /nfs/dbraw/zinc/72/04/40/367720440.db2.gz ATTJLWZKQFZNMA-BRWVUGGUSA-N 2 1 296.455 2.082 20 0 CEADMP C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)COC1CCCC1 ZINC000343242962 367721315 /nfs/dbraw/zinc/72/13/15/367721315.db2.gz ATTJLWZKQFZNMA-ZACQAIPSSA-N 2 1 296.455 2.082 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000358037710 370879883 /nfs/dbraw/zinc/87/98/83/370879883.db2.gz MPKAGWXDBYWYNW-UKRRQHHQSA-N 2 1 286.423 2.275 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000343427931 367808825 /nfs/dbraw/zinc/80/88/25/367808825.db2.gz KYFGRBRGPTXCPR-OWCLPIDISA-N 2 1 267.461 2.038 20 0 CEADMP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000343427931 367808829 /nfs/dbraw/zinc/80/88/29/367808829.db2.gz KYFGRBRGPTXCPR-OWCLPIDISA-N 2 1 267.461 2.038 20 0 CEADMP c1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH]nc1-c1cccnc1 ZINC000343612507 367916904 /nfs/dbraw/zinc/91/69/04/367916904.db2.gz IGWLWODSCABZPZ-GOEBONIOSA-N 2 1 297.406 2.188 20 0 CEADMP c1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)[nH]nc1-c1cccnc1 ZINC000343612507 367916909 /nfs/dbraw/zinc/91/69/09/367916909.db2.gz IGWLWODSCABZPZ-GOEBONIOSA-N 2 1 297.406 2.188 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000343556155 367881460 /nfs/dbraw/zinc/88/14/60/367881460.db2.gz BGOWVKXTOCPCLH-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1C[C@H](NCC(C)(C)[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000343694260 367958282 /nfs/dbraw/zinc/95/82/82/367958282.db2.gz OMVYQCJEUOBXNF-JYJNAYRXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+]1C[C@H](NCC(C)(C)[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000343694260 367958287 /nfs/dbraw/zinc/95/82/87/367958287.db2.gz OMVYQCJEUOBXNF-JYJNAYRXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1C[C@H](NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000343694260 367958294 /nfs/dbraw/zinc/95/82/94/367958294.db2.gz OMVYQCJEUOBXNF-JYJNAYRXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1C[C@H](NCC(C)(C)[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000343694260 367958298 /nfs/dbraw/zinc/95/82/98/367958298.db2.gz OMVYQCJEUOBXNF-JYJNAYRXSA-N 2 1 281.488 2.427 20 0 CEADMP CC(=O)CC[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000173973757 367967096 /nfs/dbraw/zinc/96/70/96/367967096.db2.gz YJLPGOLEBJCIME-QGZVFWFLSA-N 2 1 274.408 2.419 20 0 CEADMP Cc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000343750212 367985685 /nfs/dbraw/zinc/98/56/85/367985685.db2.gz AUABCHUJFGUZDZ-IYBDPMFKSA-N 2 1 291.439 2.369 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174724946 368059557 /nfs/dbraw/zinc/05/95/57/368059557.db2.gz BTHZUXLJOIELJZ-MRXNPFEDSA-N 2 1 275.440 2.317 20 0 CEADMP CC(C)CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000343829588 368027833 /nfs/dbraw/zinc/02/78/33/368027833.db2.gz MFFWKBLGVZHECM-GDBMZVCRSA-N 2 1 270.461 2.494 20 0 CEADMP CC(C)CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000343829588 368027841 /nfs/dbraw/zinc/02/78/41/368027841.db2.gz MFFWKBLGVZHECM-GDBMZVCRSA-N 2 1 270.461 2.494 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000345331750 368237691 /nfs/dbraw/zinc/23/76/91/368237691.db2.gz YBPOPYWXUQMZBH-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000346271519 368615686 /nfs/dbraw/zinc/61/56/86/368615686.db2.gz DUFTUQKSZFJMEQ-HNNXBMFYSA-N 2 1 265.401 2.112 20 0 CEADMP CC(C)Cn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000183260299 368618172 /nfs/dbraw/zinc/61/81/72/368618172.db2.gz WAMHACDICCCEHT-UHFFFAOYSA-N 2 1 278.444 2.313 20 0 CEADMP C[C@H]1[C@@H](NC2CC[NH+](C(C)(C)C)CC2)CCC[N@H+]1C ZINC000346325434 368637049 /nfs/dbraw/zinc/63/70/49/368637049.db2.gz HLGATDIRACQUKK-ZFWWWQNUSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@H]1[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CCCN1C ZINC000346325434 368637057 /nfs/dbraw/zinc/63/70/57/368637057.db2.gz HLGATDIRACQUKK-ZFWWWQNUSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H](CCC1CC1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000346587422 368726595 /nfs/dbraw/zinc/72/65/95/368726595.db2.gz ZRIULSWPGZYRRL-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000639049482 370926872 /nfs/dbraw/zinc/92/68/72/370926872.db2.gz SLNSQRMBIGLHRL-OAGGEKHMSA-N 2 1 266.429 2.168 20 0 CEADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000639049482 370926877 /nfs/dbraw/zinc/92/68/77/370926877.db2.gz SLNSQRMBIGLHRL-OAGGEKHMSA-N 2 1 266.429 2.168 20 0 CEADMP COc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358169499 370934550 /nfs/dbraw/zinc/93/45/50/370934550.db2.gz PGGAWPHUJCQUML-RHSMWYFYSA-N 2 1 292.423 2.394 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@](C)(O)c1ccccc1 ZINC000185201514 368766006 /nfs/dbraw/zinc/76/60/06/368766006.db2.gz ZEFYXWJYCINLRQ-KRWDZBQOSA-N 2 1 285.391 2.145 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000346693489 368775960 /nfs/dbraw/zinc/77/59/60/368775960.db2.gz NIKOVQPWZWLQBB-NEPJUHHUSA-N 2 1 288.370 2.385 20 0 CEADMP CC(C)CC[C@@](C)(O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185205671 368767407 /nfs/dbraw/zinc/76/74/07/368767407.db2.gz YBFKHWTXQOFVPB-MRXNPFEDSA-N 2 1 279.428 2.424 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346682585 368767742 /nfs/dbraw/zinc/76/77/42/368767742.db2.gz OCYOGLBIXCNZLE-HNNXBMFYSA-N 2 1 277.412 2.450 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346682585 368767744 /nfs/dbraw/zinc/76/77/44/368767744.db2.gz OCYOGLBIXCNZLE-HNNXBMFYSA-N 2 1 277.412 2.450 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OC(F)F)c1 ZINC000346685543 368769132 /nfs/dbraw/zinc/76/91/32/368769132.db2.gz SUYJRYPKTMEIFW-PWSUYJOCSA-N 2 1 270.323 2.457 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(C2CC2)nc2sccn12 ZINC000346693624 368776386 /nfs/dbraw/zinc/77/63/86/368776386.db2.gz OIIQZUNHKCKRNO-GHMZBOCLSA-N 2 1 290.436 2.442 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(C2CC2)nc2sccn12 ZINC000346693624 368776390 /nfs/dbraw/zinc/77/63/90/368776390.db2.gz OIIQZUNHKCKRNO-GHMZBOCLSA-N 2 1 290.436 2.442 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000346639385 368747080 /nfs/dbraw/zinc/74/70/80/368747080.db2.gz KDQLPYYNEKSSGH-GFCCVEGCSA-N 2 1 292.349 2.251 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000346639385 368747081 /nfs/dbraw/zinc/74/70/81/368747081.db2.gz KDQLPYYNEKSSGH-GFCCVEGCSA-N 2 1 292.349 2.251 20 0 CEADMP CC/C=C/C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634716223 368837321 /nfs/dbraw/zinc/83/73/21/368837321.db2.gz QRLJVXQBKUMCMF-GALSZHCDSA-N 2 1 274.408 2.179 20 0 CEADMP CC/C=C/C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716223 368837327 /nfs/dbraw/zinc/83/73/27/368837327.db2.gz QRLJVXQBKUMCMF-GALSZHCDSA-N 2 1 274.408 2.179 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000634723474 368839231 /nfs/dbraw/zinc/83/92/31/368839231.db2.gz SRAXOTOJOWHUEO-RCCFBDPRSA-N 2 1 288.435 2.367 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000634723474 368839239 /nfs/dbraw/zinc/83/92/39/368839239.db2.gz SRAXOTOJOWHUEO-RCCFBDPRSA-N 2 1 288.435 2.367 20 0 CEADMP COC(=O)CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185681697 368842395 /nfs/dbraw/zinc/84/23/95/368842395.db2.gz XQHXXMMXNDVWEL-UONOGXRCSA-N 2 1 282.428 2.182 20 0 CEADMP CC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634637004 368790607 /nfs/dbraw/zinc/79/06/07/368790607.db2.gz NLOZPCHKABKEGY-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP CC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634637004 368790612 /nfs/dbraw/zinc/79/06/12/368790612.db2.gz NLOZPCHKABKEGY-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000348015261 368859520 /nfs/dbraw/zinc/85/95/20/368859520.db2.gz TYKMVCBBCSQRMH-HZPDHXFCSA-N 2 1 270.461 2.495 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@](C)(CO)c1ccccc1 ZINC000348256849 368971839 /nfs/dbraw/zinc/97/18/39/368971839.db2.gz NHWCQOVJZWIRQM-XYVMCAHJSA-N 2 1 290.451 2.255 20 0 CEADMP CCn1cc(CC[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cn1 ZINC000348258252 368973388 /nfs/dbraw/zinc/97/33/88/368973388.db2.gz WDGRBRQKYJSBKG-GOEBONIOSA-N 2 1 278.444 2.250 20 0 CEADMP CCn1cc(CC[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cn1 ZINC000348258252 368973391 /nfs/dbraw/zinc/97/33/91/368973391.db2.gz WDGRBRQKYJSBKG-GOEBONIOSA-N 2 1 278.444 2.250 20 0 CEADMP CCn1cc(CC[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cn1 ZINC000348258252 368973393 /nfs/dbraw/zinc/97/33/93/368973393.db2.gz WDGRBRQKYJSBKG-GOEBONIOSA-N 2 1 278.444 2.250 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)F)[C@H](C)C1 ZINC000348266133 368975903 /nfs/dbraw/zinc/97/59/03/368975903.db2.gz BFXKSUWSXJOATQ-YIYPIFLZSA-N 2 1 290.398 2.367 20 0 CEADMP Cn1nc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000186479173 368981142 /nfs/dbraw/zinc/98/11/42/368981142.db2.gz PLLSVVFFVPRXEH-LSDHHAIUSA-N 2 1 298.434 2.332 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000348165716 368929869 /nfs/dbraw/zinc/92/98/69/368929869.db2.gz YXSDATXRJDIXSE-KFWWJZLASA-N 2 1 254.418 2.002 20 0 CEADMP C[C@](CO)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000348327822 369005986 /nfs/dbraw/zinc/00/59/86/369005986.db2.gz FLLKADSBDGOHQS-KZNAEPCWSA-N 2 1 288.435 2.153 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)CC[N@H+]1C ZINC000186612752 369006591 /nfs/dbraw/zinc/00/65/91/369006591.db2.gz LUPFOZOWAORGQO-BBRMVZONSA-N 2 1 276.424 2.486 20 0 CEADMP CC[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)[C@@H]1CCC[NH2+]1 ZINC000635010856 369047252 /nfs/dbraw/zinc/04/72/52/369047252.db2.gz BNRACNLZQSHLLN-MNOVXSKESA-N 2 1 290.333 2.022 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nccc3ccccc32)C[C@H]1C[NH3+] ZINC000634998237 369029486 /nfs/dbraw/zinc/02/94/86/369029486.db2.gz CIXZNTARDXHRRU-TZMCWYRMSA-N 2 1 255.365 2.261 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[NH3+])C2)cc1 ZINC000635011204 369048442 /nfs/dbraw/zinc/04/84/42/369048442.db2.gz DJARZDNNWIJCGH-YESZJQIVSA-N 2 1 273.424 2.039 20 0 CEADMP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[NH3+])C2)cc1 ZINC000635011204 369048444 /nfs/dbraw/zinc/04/84/44/369048444.db2.gz DJARZDNNWIJCGH-YESZJQIVSA-N 2 1 273.424 2.039 20 0 CEADMP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1nccn1C ZINC000635003966 369040177 /nfs/dbraw/zinc/04/01/77/369040177.db2.gz CCUAEJTYOWJSRA-UKRRQHHQSA-N 2 1 272.396 2.031 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cnccn1 ZINC000635004637 369040414 /nfs/dbraw/zinc/04/04/14/369040414.db2.gz FSGHGLDBGNXXMS-DZGCQCFKSA-N 2 1 270.380 2.087 20 0 CEADMP Cc1nccnc1[C@H](C)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635009159 369045574 /nfs/dbraw/zinc/04/55/74/369045574.db2.gz UEMPXIIKAJMSQS-BBRMVZONSA-N 2 1 284.407 2.396 20 0 CEADMP c1cnc2cc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)ccc2n1 ZINC000634951771 368985291 /nfs/dbraw/zinc/98/52/91/368985291.db2.gz GFOKVKKOULMJGD-CQSZACIVSA-N 2 1 282.391 2.204 20 0 CEADMP CC[N@H+]1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)[C@H](C)C1 ZINC000348552006 369085827 /nfs/dbraw/zinc/08/58/27/369085827.db2.gz KAEGXHDXSQHNCC-CQSZACIVSA-N 2 1 299.422 2.102 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)c2nccn21 ZINC000635012007 369050496 /nfs/dbraw/zinc/05/04/96/369050496.db2.gz SBUVJALCYBQGNF-WBMJQRKESA-N 2 1 282.391 2.324 20 0 CEADMP C[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000635013207 369051645 /nfs/dbraw/zinc/05/16/45/369051645.db2.gz DDXCSTCHLONMRC-WHOFXGATSA-N 2 1 282.815 2.146 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](CO)C2)[C@H](C)C1 ZINC000348639096 369108709 /nfs/dbraw/zinc/10/87/09/369108709.db2.gz GGMUNSMIRHWKNV-FPCVCCKLSA-N 2 1 268.445 2.105 20 0 CEADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000348788345 369158594 /nfs/dbraw/zinc/15/85/94/369158594.db2.gz ZNEPKNTYCKUYTA-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000348788345 369158599 /nfs/dbraw/zinc/15/85/99/369158599.db2.gz ZNEPKNTYCKUYTA-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1[nH+]ccn1CCCN1CC[NH2+]Cc2ccccc21 ZINC000348748515 369141651 /nfs/dbraw/zinc/14/16/51/369141651.db2.gz LMFIRWRZUUMFRL-UHFFFAOYSA-N 2 1 270.380 2.191 20 0 CEADMP C[N@@H+](CCCc1cccc(F)c1)C1CC[NH2+]CC1 ZINC000348754936 369142865 /nfs/dbraw/zinc/14/28/65/369142865.db2.gz DSTWDXHDGJIFMT-UHFFFAOYSA-N 2 1 250.361 2.442 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000348755097 369142979 /nfs/dbraw/zinc/14/29/79/369142979.db2.gz FWCCPMASUUSDBD-OCCSQVGLSA-N 2 1 250.361 2.427 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635425630 369169834 /nfs/dbraw/zinc/16/98/34/369169834.db2.gz PXOLRJQJXGOZQO-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@@H+](C[C@@H]1CCSC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348871376 369186359 /nfs/dbraw/zinc/18/63/59/369186359.db2.gz WYZUCYLYBZBGSD-ICIURTGMSA-N 2 1 254.443 2.297 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C)ccn2)C1 ZINC000683010820 541751181 /nfs/dbraw/zinc/75/11/81/541751181.db2.gz DMCYUCBUPXJGQK-QGZVFWFLSA-N 2 1 291.439 2.323 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1nccnc1C ZINC000188068747 369289123 /nfs/dbraw/zinc/28/91/23/369289123.db2.gz CHACSVKHIUBGKX-LBPRGKRZSA-N 2 1 273.384 2.421 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCO[C@H](C)C1 ZINC000349422369 369326593 /nfs/dbraw/zinc/32/65/93/369326593.db2.gz VGXLSSVECDGLRH-HIFRSBDPSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCO[C@H](C)C1 ZINC000349422369 369326599 /nfs/dbraw/zinc/32/65/99/369326599.db2.gz VGXLSSVECDGLRH-HIFRSBDPSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCO[C@H](C)C1 ZINC000349422370 369326698 /nfs/dbraw/zinc/32/66/98/369326698.db2.gz VGXLSSVECDGLRH-UKRRQHHQSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCO[C@H](C)C1 ZINC000349422370 369326702 /nfs/dbraw/zinc/32/67/02/369326702.db2.gz VGXLSSVECDGLRH-UKRRQHHQSA-N 2 1 265.401 2.329 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+](CC)CCC[NH+](C)C)CCO1 ZINC000349409654 369322495 /nfs/dbraw/zinc/32/24/95/369322495.db2.gz SJRZQJLXQPPCQW-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP COCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000246505331 370970783 /nfs/dbraw/zinc/97/07/83/370970783.db2.gz SUWXZDTYJAWSRB-HUUCEWRRSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc2c(s1)CCCC2 ZINC000358249619 370972048 /nfs/dbraw/zinc/97/20/48/370972048.db2.gz KOBUEIRILXMJQN-MLGOLLRUSA-N 2 1 294.464 2.344 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc2c(s1)CCCC2 ZINC000358249619 370972050 /nfs/dbraw/zinc/97/20/50/370972050.db2.gz KOBUEIRILXMJQN-MLGOLLRUSA-N 2 1 294.464 2.344 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000358227130 370961135 /nfs/dbraw/zinc/96/11/35/370961135.db2.gz NSOZSICOSXEPFF-OIISXLGYSA-N 2 1 274.408 2.418 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000358227130 370961143 /nfs/dbraw/zinc/96/11/43/370961143.db2.gz NSOZSICOSXEPFF-OIISXLGYSA-N 2 1 274.408 2.418 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(O)ccc3C2)CC[N@@H+]1C ZINC000639104358 370981885 /nfs/dbraw/zinc/98/18/85/370981885.db2.gz BNYFEHXRYDKCOT-WQVCFCJDSA-N 2 1 274.408 2.322 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(O)ccc3C2)CC[N@H+]1C ZINC000639104358 370981888 /nfs/dbraw/zinc/98/18/88/370981888.db2.gz BNYFEHXRYDKCOT-WQVCFCJDSA-N 2 1 274.408 2.322 20 0 CEADMP COC[C@H](C)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000189811335 369571150 /nfs/dbraw/zinc/57/11/50/369571150.db2.gz KRBDIZDWMLIKMR-OAGGEKHMSA-N 2 1 298.471 2.090 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000351684044 369650293 /nfs/dbraw/zinc/65/02/93/369650293.db2.gz HMRGCMUQKSPBAN-DLBZAZTESA-N 2 1 279.472 2.421 20 0 CEADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC000352540649 369778834 /nfs/dbraw/zinc/77/88/34/369778834.db2.gz NTXJNPNWEPPIOL-GOSISDBHSA-N 2 1 288.435 2.343 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC000352540649 369778836 /nfs/dbraw/zinc/77/88/36/369778836.db2.gz NTXJNPNWEPPIOL-GOSISDBHSA-N 2 1 288.435 2.343 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000352540649 369778837 /nfs/dbraw/zinc/77/88/37/369778837.db2.gz NTXJNPNWEPPIOL-GOSISDBHSA-N 2 1 288.435 2.343 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000352540649 369778840 /nfs/dbraw/zinc/77/88/40/369778840.db2.gz NTXJNPNWEPPIOL-GOSISDBHSA-N 2 1 288.435 2.343 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CCO1 ZINC000352692347 369838362 /nfs/dbraw/zinc/83/83/62/369838362.db2.gz FOAMCOKTZKFGEL-GDBMZVCRSA-N 2 1 291.439 2.490 20 0 CEADMP COCC[NH+]1CCC([NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000352554418 369784419 /nfs/dbraw/zinc/78/44/19/369784419.db2.gz GKHGOMFOKSIVGJ-UHFFFAOYSA-N 2 1 284.444 2.033 20 0 CEADMP COC(C)(C)C[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352781886 369876833 /nfs/dbraw/zinc/87/68/33/369876833.db2.gz ACJHTYBBSPQRBK-LLVKDONJSA-N 2 1 285.457 2.498 20 0 CEADMP C[C@@H]([NH2+]Cc1ccnc(N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000193549466 369953654 /nfs/dbraw/zinc/95/36/54/369953654.db2.gz YORMCVIQIUUCIN-UKRRQHHQSA-N 2 1 288.439 2.406 20 0 CEADMP COC(=O)CC1([NH2+]CCCCn2cc[nH+]c2C)CCC1 ZINC000353039462 369997126 /nfs/dbraw/zinc/99/71/26/369997126.db2.gz MEOSNYSQKIJVOD-UHFFFAOYSA-N 2 1 279.384 2.047 20 0 CEADMP CC[C@H](C)C[NH+](C)CC(O)C[N@H+](C)C[C@@H](C)CC ZINC000194507765 370044766 /nfs/dbraw/zinc/04/47/66/370044766.db2.gz KFCNEMUQTLHBDV-KBPBESRZSA-N 2 1 258.450 2.303 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](COC(F)F)C1 ZINC000353027246 369989226 /nfs/dbraw/zinc/98/92/26/369989226.db2.gz MXLGPRHZVPFLOY-CHWSQXEVSA-N 2 1 276.371 2.422 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353027246 369989229 /nfs/dbraw/zinc/98/92/29/369989229.db2.gz MXLGPRHZVPFLOY-CHWSQXEVSA-N 2 1 276.371 2.422 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353027246 369989233 /nfs/dbraw/zinc/98/92/33/369989233.db2.gz MXLGPRHZVPFLOY-CHWSQXEVSA-N 2 1 276.371 2.422 20 0 CEADMP CNC(=O)CC[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000353182526 370058819 /nfs/dbraw/zinc/05/88/19/370058819.db2.gz OIJOTSXGKBIGCA-INIZCTEOSA-N 2 1 295.471 2.243 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(O)c1 ZINC000194888554 370086223 /nfs/dbraw/zinc/08/62/23/370086223.db2.gz CAQLIPGBMGZOQC-GOEBONIOSA-N 2 1 292.423 2.280 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@](C)(OC)C2CC2)CC1 ZINC000637887686 370147419 /nfs/dbraw/zinc/14/74/19/370147419.db2.gz XFVILRFXYURIRG-HNNXBMFYSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@](C)(OC)C2CC2)CC1 ZINC000637887686 370147423 /nfs/dbraw/zinc/14/74/23/370147423.db2.gz XFVILRFXYURIRG-HNNXBMFYSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+](CCC)CC1 ZINC000353987087 370165581 /nfs/dbraw/zinc/16/55/81/370165581.db2.gz MYQJGDCYYLEHEL-INIZCTEOSA-N 2 1 267.461 2.325 20 0 CEADMP Cn1ccnc1[C@H](C1CC1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000638028909 370253705 /nfs/dbraw/zinc/25/37/05/370253705.db2.gz KLHPXKGORKNGTR-HNNXBMFYSA-N 2 1 276.428 2.145 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC000354078881 370206390 /nfs/dbraw/zinc/20/63/90/370206390.db2.gz ZOUDCCSSLOYKHP-AWEZNQCLSA-N 2 1 297.468 2.384 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](OC)C2CCOCC2)C1 ZINC000638122161 370318394 /nfs/dbraw/zinc/31/83/94/370318394.db2.gz IZNBTKFSSFMEHI-WBVHZDCISA-N 2 1 298.471 2.092 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000354221548 370266637 /nfs/dbraw/zinc/26/66/37/370266637.db2.gz HCQAUQIOAVJLKU-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000638062306 370275634 /nfs/dbraw/zinc/27/56/34/370275634.db2.gz DYCCCZOTRMTZRL-AWEZNQCLSA-N 2 1 291.439 2.141 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CCOCC2)C[C@@H]1C ZINC000638110165 370307663 /nfs/dbraw/zinc/30/76/63/370307663.db2.gz JCHYDBOALMJBJW-XIRDDKMYSA-N 2 1 298.471 2.233 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)C2CCOCC2)C[C@@H]1C ZINC000638110165 370307666 /nfs/dbraw/zinc/30/76/66/370307666.db2.gz JCHYDBOALMJBJW-XIRDDKMYSA-N 2 1 298.471 2.233 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)C2CCOCC2)C[C@@H]1C ZINC000638110165 370307669 /nfs/dbraw/zinc/30/76/69/370307669.db2.gz JCHYDBOALMJBJW-XIRDDKMYSA-N 2 1 298.471 2.233 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000354410475 370351886 /nfs/dbraw/zinc/35/18/86/370351886.db2.gz DMTIZDGRBFLGKS-RRFJBIMHSA-N 2 1 284.444 2.286 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000354410475 370351894 /nfs/dbraw/zinc/35/18/94/370351894.db2.gz DMTIZDGRBFLGKS-RRFJBIMHSA-N 2 1 284.444 2.286 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@](C)(OC)C2CC2)C1 ZINC000638136380 370331187 /nfs/dbraw/zinc/33/11/87/370331187.db2.gz YJMVXNUKMIMRIV-SJORKVTESA-N 2 1 298.471 2.234 20 0 CEADMP [NH3+]CC1(CC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCCCC1 ZINC000229400430 370424732 /nfs/dbraw/zinc/42/47/32/370424732.db2.gz ZQFGSSLSSDZWGE-CABCVRRESA-N 2 1 293.455 2.029 20 0 CEADMP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000638291522 370427672 /nfs/dbraw/zinc/42/76/72/370427672.db2.gz QMKGPSUXPHVSJX-GJZGRUSLSA-N 2 1 295.471 2.288 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000638361950 370470977 /nfs/dbraw/zinc/47/09/77/370470977.db2.gz VYZFYVNGZKLAJI-WCVJEAGWSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000638361950 370470982 /nfs/dbraw/zinc/47/09/82/370470982.db2.gz VYZFYVNGZKLAJI-WCVJEAGWSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638412929 370510824 /nfs/dbraw/zinc/51/08/24/370510824.db2.gz VBTQGECWYSEEGF-FRFSOERESA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638412929 370510828 /nfs/dbraw/zinc/51/08/28/370510828.db2.gz VBTQGECWYSEEGF-FRFSOERESA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H](CO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638412931 370512253 /nfs/dbraw/zinc/51/22/53/370512253.db2.gz VBTQGECWYSEEGF-UKPHBRMFSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638412931 370512255 /nfs/dbraw/zinc/51/22/55/370512255.db2.gz VBTQGECWYSEEGF-UKPHBRMFSA-N 2 1 274.408 2.325 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000638378497 370486018 /nfs/dbraw/zinc/48/60/18/370486018.db2.gz XLCBHQVAUACIQJ-BPUTZDHNSA-N 2 1 289.423 2.238 20 0 CEADMP CC[NH+](CC)CC(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000354893487 370496899 /nfs/dbraw/zinc/49/68/99/370496899.db2.gz WXDCGJXMFZGEIF-UHFFFAOYSA-N 2 1 295.471 2.123 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000236733048 370616874 /nfs/dbraw/zinc/61/68/74/370616874.db2.gz SHRUFBYBZZUOAK-ZIAGYGMSSA-N 2 1 283.460 2.131 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)CCC[NH3+])c2C1 ZINC000236788851 370627091 /nfs/dbraw/zinc/62/70/91/370627091.db2.gz TYXQZOZBNCFVJL-UHFFFAOYSA-N 2 1 261.369 2.090 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)CCC[NH3+])c2C1 ZINC000236788851 370627095 /nfs/dbraw/zinc/62/70/95/370627095.db2.gz TYXQZOZBNCFVJL-UHFFFAOYSA-N 2 1 261.369 2.090 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000236792929 370628389 /nfs/dbraw/zinc/62/83/89/370628389.db2.gz BXKKUCAQEQRMEC-CABCVRRESA-N 2 1 283.460 2.132 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1COC2 ZINC000358297298 370999698 /nfs/dbraw/zinc/99/96/98/370999698.db2.gz HAHCAGYDNOZEMR-IAGOWNOFSA-N 2 1 272.392 2.433 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1COC2 ZINC000358297298 370999704 /nfs/dbraw/zinc/99/97/04/370999704.db2.gz HAHCAGYDNOZEMR-IAGOWNOFSA-N 2 1 272.392 2.433 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1COC2 ZINC000358298070 371001056 /nfs/dbraw/zinc/00/10/56/371001056.db2.gz HAHCAGYDNOZEMR-SJORKVTESA-N 2 1 272.392 2.433 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1COC2 ZINC000358298070 371001060 /nfs/dbraw/zinc/00/10/60/371001060.db2.gz HAHCAGYDNOZEMR-SJORKVTESA-N 2 1 272.392 2.433 20 0 CEADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247014984 371047359 /nfs/dbraw/zinc/04/73/59/371047359.db2.gz KNFXVGIUYOBVAM-SLEUVZQESA-N 2 1 278.444 2.040 20 0 CEADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247014984 371047365 /nfs/dbraw/zinc/04/73/65/371047365.db2.gz KNFXVGIUYOBVAM-SLEUVZQESA-N 2 1 278.444 2.040 20 0 CEADMP CC[N@H+]1C[C@H](NC[C@H]2CCCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000358340908 371022924 /nfs/dbraw/zinc/02/29/24/371022924.db2.gz MYGASOZLDIMOMH-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+]1C[C@H](NC[C@H]2CCCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000358340908 371022928 /nfs/dbraw/zinc/02/29/28/371022928.db2.gz MYGASOZLDIMOMH-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1C[C@H](NC[C@H]2CCCC[N@@H+]2CC(C)C)[C@@H](C)C1 ZINC000358340908 371022935 /nfs/dbraw/zinc/02/29/35/371022935.db2.gz MYGASOZLDIMOMH-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1C[C@H](NC[C@H]2CCCC[N@H+]2CC(C)C)[C@@H](C)C1 ZINC000358340908 371022941 /nfs/dbraw/zinc/02/29/41/371022941.db2.gz MYGASOZLDIMOMH-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[NH+]2CCC2)CC1 ZINC000358340972 371023623 /nfs/dbraw/zinc/02/36/23/371023623.db2.gz NEDYRGJMHQOJHH-WBVHZDCISA-N 2 1 279.472 2.325 20 0 CEADMP CC[C@H](C)[C@@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)OC ZINC000639170576 371042509 /nfs/dbraw/zinc/04/25/09/371042509.db2.gz VGSUADGIUZWFOY-DOTOQJQBSA-N 2 1 299.503 2.005 20 0 CEADMP CC[C@@H](C)[C@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)OC ZINC000639170580 371042727 /nfs/dbraw/zinc/04/27/27/371042727.db2.gz VGSUADGIUZWFOY-WBVHZDCISA-N 2 1 299.503 2.005 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCNc2cccc(C)n2)[C@@H](C)C1 ZINC000358386843 371043259 /nfs/dbraw/zinc/04/32/59/371043259.db2.gz TWOSKZQVNNBCSW-ZFWWWQNUSA-N 2 1 276.428 2.122 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000639179106 371057685 /nfs/dbraw/zinc/05/76/85/371057685.db2.gz RQHAQZARWIDREE-XHSDSOJGSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000639179106 371057687 /nfs/dbraw/zinc/05/76/87/371057687.db2.gz RQHAQZARWIDREE-XHSDSOJGSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000639179106 371057689 /nfs/dbraw/zinc/05/76/89/371057689.db2.gz RQHAQZARWIDREE-XHSDSOJGSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@](C)(C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21)OC ZINC000639180497 371060518 /nfs/dbraw/zinc/06/05/18/371060518.db2.gz XGSNZGZIKJUXBK-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CC[C@](C)(C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21)OC ZINC000639180497 371060520 /nfs/dbraw/zinc/06/05/20/371060520.db2.gz XGSNZGZIKJUXBK-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CC[C@](C)(C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21)OC ZINC000639180497 371060525 /nfs/dbraw/zinc/06/05/25/371060525.db2.gz XGSNZGZIKJUXBK-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CC1=CC[NH+](CCNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000358463921 371077311 /nfs/dbraw/zinc/07/73/11/371077311.db2.gz IRIFZCLPIQITNZ-OWCLPIDISA-N 2 1 293.455 2.016 20 0 CEADMP CC1=CC[N@H+](CCNC(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000358463921 371077317 /nfs/dbraw/zinc/07/73/17/371077317.db2.gz IRIFZCLPIQITNZ-OWCLPIDISA-N 2 1 293.455 2.016 20 0 CEADMP CC1=CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000358463921 371077322 /nfs/dbraw/zinc/07/73/22/371077322.db2.gz IRIFZCLPIQITNZ-OWCLPIDISA-N 2 1 293.455 2.016 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639198813 371083475 /nfs/dbraw/zinc/08/34/75/371083475.db2.gz SRLBJCPBUPRDKH-RBSFLKMASA-N 2 1 283.460 2.144 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639198813 371083481 /nfs/dbraw/zinc/08/34/81/371083481.db2.gz SRLBJCPBUPRDKH-RBSFLKMASA-N 2 1 283.460 2.144 20 0 CEADMP Cc1noc([C@H]2CCCN(CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000247307183 371091324 /nfs/dbraw/zinc/09/13/24/371091324.db2.gz QDLBPEVJZYYYHW-UONOGXRCSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1noc([C@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000247307183 371091327 /nfs/dbraw/zinc/09/13/27/371091327.db2.gz QDLBPEVJZYYYHW-UONOGXRCSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1noc([C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000247307183 371091329 /nfs/dbraw/zinc/09/13/29/371091329.db2.gz QDLBPEVJZYYYHW-UONOGXRCSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1noc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000247307183 371091331 /nfs/dbraw/zinc/09/13/31/371091331.db2.gz QDLBPEVJZYYYHW-UONOGXRCSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1noc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000247307183 371091333 /nfs/dbraw/zinc/09/13/33/371091333.db2.gz QDLBPEVJZYYYHW-UONOGXRCSA-N 2 1 278.400 2.042 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(F)c2N)C1 ZINC000639257956 371158346 /nfs/dbraw/zinc/15/83/46/371158346.db2.gz VCDQUOMIYUAXAR-LBPRGKRZSA-N 2 1 265.376 2.229 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248141125 371163641 /nfs/dbraw/zinc/16/36/41/371163641.db2.gz PRQBEYBANBKWSC-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248141125 371163648 /nfs/dbraw/zinc/16/36/48/371163648.db2.gz PRQBEYBANBKWSC-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248141125 371163652 /nfs/dbraw/zinc/16/36/52/371163652.db2.gz PRQBEYBANBKWSC-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP CC[N@@H+](CCC[NH2+][C@H]1CCCNC(=O)C1)C1CCCCC1 ZINC000639292061 371195149 /nfs/dbraw/zinc/19/51/49/371195149.db2.gz ZTJBVVIEFNQEFV-HNNXBMFYSA-N 2 1 295.471 2.289 20 0 CEADMP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H](C)[NH+]1C ZINC000358740382 371199817 /nfs/dbraw/zinc/19/98/17/371199817.db2.gz QVOUNUFEFKEECD-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCC(C)(C)O3)CC[C@@H]21 ZINC000248588193 371217642 /nfs/dbraw/zinc/21/76/42/371217642.db2.gz WZKDCUCGKRLUED-KFWWJZLASA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCC(C)(C)O3)CC[C@@H]21 ZINC000248588193 371217645 /nfs/dbraw/zinc/21/76/45/371217645.db2.gz WZKDCUCGKRLUED-KFWWJZLASA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCC(C)(C)O3)CC[C@@H]21 ZINC000248588193 371217649 /nfs/dbraw/zinc/21/76/49/371217649.db2.gz WZKDCUCGKRLUED-KFWWJZLASA-N 2 1 266.429 2.360 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCCO[C@H]2CCCCO2)CC1 ZINC000358829554 371239309 /nfs/dbraw/zinc/23/93/09/371239309.db2.gz MOSKYDZFVHEMEO-INIZCTEOSA-N 2 1 284.444 2.336 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCCO[C@H]2CCCCO2)CC1 ZINC000358829554 371239316 /nfs/dbraw/zinc/23/93/16/371239316.db2.gz MOSKYDZFVHEMEO-INIZCTEOSA-N 2 1 284.444 2.336 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248728483 371239801 /nfs/dbraw/zinc/23/98/01/371239801.db2.gz KALAZFXLWJPOBA-XUWVNRHRSA-N 2 1 278.440 2.266 20 0 CEADMP CO[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CC1 ZINC000639338759 371250658 /nfs/dbraw/zinc/25/06/58/371250658.db2.gz VQCKNCQDQWGAHS-ZBFHGGJFSA-N 2 1 266.429 2.123 20 0 CEADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000248834508 371252523 /nfs/dbraw/zinc/25/25/23/371252523.db2.gz LYIRCMDZVJDXDJ-KURKYZTESA-N 2 1 288.435 2.115 20 0 CEADMP C(CN1CCCCCC1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250942909 371394590 /nfs/dbraw/zinc/39/45/90/371394590.db2.gz ZTWSAFIXYBDPIY-BRWVUGGUSA-N 2 1 279.472 2.373 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000250965712 371395612 /nfs/dbraw/zinc/39/56/12/371395612.db2.gz XXDSOAWQHLKGJH-WFASDCNBSA-N 2 1 263.385 2.100 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000251660700 371411464 /nfs/dbraw/zinc/41/14/64/371411464.db2.gz KNSJWTSNDDLHSO-PMPSAXMXSA-N 2 1 276.428 2.441 20 0 CEADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C[C@H]1CCO[C@@H]1C)CC2 ZINC000639508818 371371230 /nfs/dbraw/zinc/37/12/30/371371230.db2.gz OOCZGIRFBDSALT-FPCVCCKLSA-N 2 1 266.429 2.359 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000252440153 371437578 /nfs/dbraw/zinc/43/75/78/371437578.db2.gz XPFQQSTUGPOIHR-PBHICJAKSA-N 2 1 258.409 2.475 20 0 CEADMP CCC[N@@H+](C)CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000359344825 371438644 /nfs/dbraw/zinc/43/86/44/371438644.db2.gz QHQDEVIBZVRIFM-UHFFFAOYSA-N 2 1 263.385 2.029 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000639644111 371462196 /nfs/dbraw/zinc/46/21/96/371462196.db2.gz MCZUYOQZLGSEQR-GJZGRUSLSA-N 2 1 280.412 2.458 20 0 CEADMP COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252675402 371468114 /nfs/dbraw/zinc/46/81/14/371468114.db2.gz ZNALFSBLDMDVEV-CABCVRRESA-N 2 1 260.381 2.412 20 0 CEADMP COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252675402 371468118 /nfs/dbraw/zinc/46/81/18/371468118.db2.gz ZNALFSBLDMDVEV-CABCVRRESA-N 2 1 260.381 2.412 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698573 371469377 /nfs/dbraw/zinc/46/93/77/371469377.db2.gz NUCHYSUYJFMHER-CABCVRRESA-N 2 1 283.460 2.084 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252698573 371469380 /nfs/dbraw/zinc/46/93/80/371469380.db2.gz NUCHYSUYJFMHER-CABCVRRESA-N 2 1 283.460 2.084 20 0 CEADMP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)[NH+](CC)CC ZINC000359889555 371492491 /nfs/dbraw/zinc/49/24/91/371492491.db2.gz JXEJUYQFXMGZMQ-OAGGEKHMSA-N 2 1 297.487 2.296 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000639769292 371557163 /nfs/dbraw/zinc/55/71/63/371557163.db2.gz XLVIMCRHEIFTOQ-SFHVURJKSA-N 2 1 299.418 2.123 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000639769292 371557168 /nfs/dbraw/zinc/55/71/68/371557168.db2.gz XLVIMCRHEIFTOQ-SFHVURJKSA-N 2 1 299.418 2.123 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCC3(C2)CC[NH+](C)CC3)CCO1 ZINC000639754572 371544954 /nfs/dbraw/zinc/54/49/54/371544954.db2.gz CITOOJDIMPVDDJ-GJZGRUSLSA-N 2 1 266.429 2.219 20 0 CEADMP CCc1noc([C@@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639759779 371548515 /nfs/dbraw/zinc/54/85/15/371548515.db2.gz JLATZOGGAWNXCU-GFCCVEGCSA-N 2 1 278.400 2.111 20 0 CEADMP c1cc(N2CCC[N@H+](CC3CCOCC3)CC2)cc[nH+]1 ZINC000639683436 371493074 /nfs/dbraw/zinc/49/30/74/371493074.db2.gz ZELLQPNYDAJNCV-UHFFFAOYSA-N 2 1 275.396 2.020 20 0 CEADMP CC(C)COCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683961 371493218 /nfs/dbraw/zinc/49/32/18/371493218.db2.gz PGVKFBSESTVDNE-UHFFFAOYSA-N 2 1 277.412 2.266 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000359931817 371494534 /nfs/dbraw/zinc/49/45/34/371494534.db2.gz CRACGZCHTPFRNC-KLHDSHLOSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000359931817 371494535 /nfs/dbraw/zinc/49/45/35/371494535.db2.gz CRACGZCHTPFRNC-KLHDSHLOSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000359931817 371494537 /nfs/dbraw/zinc/49/45/37/371494537.db2.gz CRACGZCHTPFRNC-KLHDSHLOSA-N 2 1 267.461 2.322 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360965381 371567125 /nfs/dbraw/zinc/56/71/25/371567125.db2.gz FZUUTYFEZDBTKN-LLVKDONJSA-N 2 1 286.370 2.179 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360965381 371567127 /nfs/dbraw/zinc/56/71/27/371567127.db2.gz FZUUTYFEZDBTKN-LLVKDONJSA-N 2 1 286.370 2.179 20 0 CEADMP C1CC1[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000361026259 371606231 /nfs/dbraw/zinc/60/62/31/371606231.db2.gz SGEWYIIYGVKNSN-KLHDSHLOSA-N 2 1 264.413 2.160 20 0 CEADMP C[C@@H](N[C@@H](C)[C@H](C)[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261551075 371643946 /nfs/dbraw/zinc/64/39/46/371643946.db2.gz QAOHFOWIGPWLPM-MPTYRVRUSA-N 2 1 275.440 2.222 20 0 CEADMP CSc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261560726 371647854 /nfs/dbraw/zinc/64/78/54/371647854.db2.gz FMDKLJMEVBEGTR-ZIAGYGMSSA-N 2 1 262.422 2.450 20 0 CEADMP CSc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261560726 371647865 /nfs/dbraw/zinc/64/78/65/371647865.db2.gz FMDKLJMEVBEGTR-ZIAGYGMSSA-N 2 1 262.422 2.450 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000261734770 371713763 /nfs/dbraw/zinc/71/37/63/371713763.db2.gz RMIQRJUHSVKQKD-HIFRSBDPSA-N 2 1 290.407 2.196 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000261734770 371713768 /nfs/dbraw/zinc/71/37/68/371713768.db2.gz RMIQRJUHSVKQKD-HIFRSBDPSA-N 2 1 290.407 2.196 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261756431 371722379 /nfs/dbraw/zinc/72/23/79/371722379.db2.gz NIYLBMMCQHQLRD-BZUAXINKSA-N 3 1 276.428 2.092 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000261762021 371724148 /nfs/dbraw/zinc/72/41/48/371724148.db2.gz LUBIMQQMDZQGRQ-QGZVFWFLSA-N 2 1 284.407 2.102 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000261762021 371724158 /nfs/dbraw/zinc/72/41/58/371724158.db2.gz LUBIMQQMDZQGRQ-QGZVFWFLSA-N 2 1 284.407 2.102 20 0 CEADMP CC(C)O[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1(C)C ZINC000361235934 371730064 /nfs/dbraw/zinc/73/00/64/371730064.db2.gz GCQAHAXHZVUDSK-GJZGRUSLSA-N 2 1 266.429 2.430 20 0 CEADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1C ZINC000261807943 371737639 /nfs/dbraw/zinc/73/76/39/371737639.db2.gz ZKHVJCBINVMROO-GOSISDBHSA-N 2 1 287.451 2.091 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261894010 371764595 /nfs/dbraw/zinc/76/45/95/371764595.db2.gz VVQDWSWWBYMLHV-MRXNPFEDSA-N 2 1 278.396 2.265 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261894010 371764600 /nfs/dbraw/zinc/76/46/00/371764600.db2.gz VVQDWSWWBYMLHV-MRXNPFEDSA-N 2 1 278.396 2.265 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)COC(C)C)CC1 ZINC000337333286 214012355 /nfs/dbraw/zinc/01/23/55/214012355.db2.gz JKQMPNSASHHGQJ-OAHLLOKOSA-N 2 1 286.460 2.279 20 0 CEADMP CC[C@@H]1CN(CC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000261976553 371788371 /nfs/dbraw/zinc/78/83/71/371788371.db2.gz QWEJFTGIDCQBHM-MRXNPFEDSA-N 2 1 275.440 2.320 20 0 CEADMP c1ccc(CSCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261988629 371790841 /nfs/dbraw/zinc/79/08/41/371790841.db2.gz SCSBZVGEQCYUIZ-GASCZTMLSA-N 2 1 262.422 2.071 20 0 CEADMP Cc1cc(F)ccc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344036388 217022779 /nfs/dbraw/zinc/02/27/79/217022779.db2.gz SSQUZDQYCBKQPR-UHFFFAOYSA-N 2 1 295.446 2.449 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1F ZINC000262054174 371812887 /nfs/dbraw/zinc/81/28/87/371812887.db2.gz ZZKKQNPORXDMIX-WCQYABFASA-N 2 1 266.360 2.394 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1F ZINC000262054174 371812895 /nfs/dbraw/zinc/81/28/95/371812895.db2.gz ZZKKQNPORXDMIX-WCQYABFASA-N 2 1 266.360 2.394 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)OC)[C@H](C)C1 ZINC000361492460 371874663 /nfs/dbraw/zinc/87/46/63/371874663.db2.gz IFVSCDKOZHDNPF-WCVJEAGWSA-N 2 1 286.460 2.136 20 0 CEADMP CCc1ccc([C@@H]2CNCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262208588 371837458 /nfs/dbraw/zinc/83/74/58/371837458.db2.gz LHUYVVFRKHIHFA-SFHVURJKSA-N 2 1 287.451 2.195 20 0 CEADMP CCc1ccc([C@@H]2C[NH2+]CCN2CC2CC[NH2+]CC2)cc1 ZINC000262208588 371837460 /nfs/dbraw/zinc/83/74/60/371837460.db2.gz LHUYVVFRKHIHFA-SFHVURJKSA-N 2 1 287.451 2.195 20 0 CEADMP Cc1ncc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)n1 ZINC000361767167 372061393 /nfs/dbraw/zinc/06/13/93/372061393.db2.gz VPATWEPPYVFUCX-VHRBIJSZSA-N 2 1 262.401 2.227 20 0 CEADMP Cc1ncc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c(C)n1 ZINC000361767167 372061403 /nfs/dbraw/zinc/06/14/03/372061403.db2.gz VPATWEPPYVFUCX-VHRBIJSZSA-N 2 1 262.401 2.227 20 0 CEADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC1CCC1 ZINC000344171352 217085650 /nfs/dbraw/zinc/08/56/50/217085650.db2.gz RJLNBAGVRGKKMW-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP CC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361893882 372119489 /nfs/dbraw/zinc/11/94/89/372119489.db2.gz SCSRGNOHALVKMW-ZBFHGGJFSA-N 2 1 262.397 2.012 20 0 CEADMP CC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361893882 372119495 /nfs/dbraw/zinc/11/94/95/372119495.db2.gz SCSRGNOHALVKMW-ZBFHGGJFSA-N 2 1 262.397 2.012 20 0 CEADMP C[N@H+](CC1(C)CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000683840026 541869180 /nfs/dbraw/zinc/86/91/80/541869180.db2.gz LPKLJGWPMRJNON-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP C[N@@H+](CC1(C)CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000683840026 541869184 /nfs/dbraw/zinc/86/91/84/541869184.db2.gz LPKLJGWPMRJNON-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP C[NH+](CC1(C)CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000683840026 541869188 /nfs/dbraw/zinc/86/91/88/541869188.db2.gz LPKLJGWPMRJNON-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP C[NH+](CC1(C)CC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000683840026 541869191 /nfs/dbraw/zinc/86/91/91/541869191.db2.gz LPKLJGWPMRJNON-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@H](NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(F)cc1F ZINC000268936238 372293798 /nfs/dbraw/zinc/29/37/98/372293798.db2.gz RSQPDCDNBQQKLM-BBRMVZONSA-N 2 1 297.393 2.251 20 0 CEADMP COCC[N@H+](CCn1cc[nH+]c1C)[C@H]1CC[C@@H](C)C1 ZINC000362149175 372244737 /nfs/dbraw/zinc/24/47/37/372244737.db2.gz LBXVFKUBCRMJDF-HIFRSBDPSA-N 2 1 265.401 2.329 20 0 CEADMP COCC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CC[C@@H](C)C1 ZINC000362149175 372244741 /nfs/dbraw/zinc/24/47/41/372244741.db2.gz LBXVFKUBCRMJDF-HIFRSBDPSA-N 2 1 265.401 2.329 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000268881814 372271887 /nfs/dbraw/zinc/27/18/87/372271887.db2.gz IDEDHNDYXNZDMP-KEYYUXOJSA-N 2 1 299.422 2.086 20 0 CEADMP Cc1cccc2oc(CC[NH2+]C3CC[NH+](C)CC3)nc21 ZINC000268900434 372278182 /nfs/dbraw/zinc/27/81/82/372278182.db2.gz FPSIARTZMBPJAE-UHFFFAOYSA-N 2 1 273.380 2.363 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1(C)C ZINC000344328740 217153396 /nfs/dbraw/zinc/15/33/96/217153396.db2.gz MJBFEJNUJDBJRS-KBPBESRZSA-N 2 1 252.402 2.042 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000344355774 217167278 /nfs/dbraw/zinc/16/72/78/217167278.db2.gz UGSXTSCQSONXTL-HRCADAONSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1ccccc1CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000683895370 541879467 /nfs/dbraw/zinc/87/94/67/541879467.db2.gz QJKIBBTYEGRVCC-UHFFFAOYSA-N 2 1 284.407 2.473 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2scnc2C)[C@H](C)C1 ZINC000344516990 217219279 /nfs/dbraw/zinc/21/92/79/217219279.db2.gz PXXXJTQUHGHYHE-PWSUYJOCSA-N 2 1 253.415 2.271 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2scnc2C)[C@H](C)C1 ZINC000344516990 217219282 /nfs/dbraw/zinc/21/92/82/217219282.db2.gz PXXXJTQUHGHYHE-PWSUYJOCSA-N 2 1 253.415 2.271 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000353380903 220054349 /nfs/dbraw/zinc/05/43/49/220054349.db2.gz CWOUJDSNGYQIAL-ZDUSSCGKSA-N 2 1 296.411 2.020 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000353380903 220054353 /nfs/dbraw/zinc/05/43/53/220054353.db2.gz CWOUJDSNGYQIAL-ZDUSSCGKSA-N 2 1 296.411 2.020 20 0 CEADMP C[C@@H](CC[NH2+]Cc1ccncc1N)[NH+]1CCCCC1 ZINC000641748037 372683021 /nfs/dbraw/zinc/68/30/21/372683021.db2.gz SQASHOLGNHYPRK-ZDUSSCGKSA-N 2 1 262.401 2.018 20 0 CEADMP Nc1cnccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000641751048 372686214 /nfs/dbraw/zinc/68/62/14/372686214.db2.gz SEWRNLPOCWTTJG-MRXNPFEDSA-N 2 1 296.418 2.276 20 0 CEADMP Nc1cnccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000641751048 372686220 /nfs/dbraw/zinc/68/62/20/372686220.db2.gz SEWRNLPOCWTTJG-MRXNPFEDSA-N 2 1 296.418 2.276 20 0 CEADMP CN(C)C(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000364208353 372693111 /nfs/dbraw/zinc/69/31/11/372693111.db2.gz RLFOKCFKSAGJPM-GXTWGEPZSA-N 2 1 294.830 2.419 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cn1 ZINC000641802804 372745275 /nfs/dbraw/zinc/74/52/75/372745275.db2.gz PFCKSDNDIAVZCF-GHMZBOCLSA-N 2 1 273.302 2.316 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1F ZINC000641805000 372749924 /nfs/dbraw/zinc/74/99/24/372749924.db2.gz MIHWBHWRNIJAQN-ZLKJLUDKSA-N 2 1 293.386 2.177 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1cccc(Cl)c1 ZINC000641807955 372753804 /nfs/dbraw/zinc/75/38/04/372753804.db2.gz WDCSBGWZXWRWHS-ZWKOPEQDSA-N 2 1 295.814 2.382 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641807759 372754821 /nfs/dbraw/zinc/75/48/21/372754821.db2.gz RVLLMELNTLCVDX-BFHYXJOUSA-N 2 1 283.460 2.033 20 0 CEADMP O[C@@]1(C[NH2+]C2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000344550631 217230036 /nfs/dbraw/zinc/23/00/36/217230036.db2.gz QHPUDVANXDNERH-QGZVFWFLSA-N 2 1 274.408 2.156 20 0 CEADMP O[C@@]1(C[NH2+]C2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344550631 217230037 /nfs/dbraw/zinc/23/00/37/217230037.db2.gz QHPUDVANXDNERH-QGZVFWFLSA-N 2 1 274.408 2.156 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccncc2)CC[N@H+]1C ZINC000344610761 217247955 /nfs/dbraw/zinc/24/79/55/217247955.db2.gz BBMGITZXISXZQC-CJNGLKHVSA-N 2 1 299.422 2.054 20 0 CEADMP Cc1ccc2c(C)cc(N3CCO[C@H](C[NH3+])C3)[nH+]c2c1 ZINC000643027057 372919053 /nfs/dbraw/zinc/91/90/53/372919053.db2.gz ZUIMYNMUCSBFMZ-CYBMUJFWSA-N 2 1 271.364 2.016 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCn2cnc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000353506454 220124959 /nfs/dbraw/zinc/12/49/59/220124959.db2.gz YNRIQSRVBDOPMM-YQQAZPJKSA-N 2 1 298.434 2.499 20 0 CEADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21)C(C)C ZINC000353499549 220119179 /nfs/dbraw/zinc/11/91/79/220119179.db2.gz VHSAAKLPHWCZLJ-ARFHVFGLSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+](CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C(C)C ZINC000353499549 220119181 /nfs/dbraw/zinc/11/91/81/220119181.db2.gz VHSAAKLPHWCZLJ-ARFHVFGLSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C(C)C ZINC000353499549 220119182 /nfs/dbraw/zinc/11/91/82/220119182.db2.gz VHSAAKLPHWCZLJ-ARFHVFGLSA-N 2 1 267.461 2.179 20 0 CEADMP C([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)[C@H]1CCCC[NH2+]1 ZINC000643502729 373162460 /nfs/dbraw/zinc/16/24/60/373162460.db2.gz OSRUNIAFBQGKQF-CAOSSQGBSA-N 2 1 266.429 2.313 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CCCC[C@@H]3O)C2)CC1 ZINC000366909772 373128941 /nfs/dbraw/zinc/12/89/41/373128941.db2.gz GUMIIPNXLKRAIV-GJZGRUSLSA-N 2 1 266.429 2.098 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1c[nH+]ccc1N ZINC000643460239 373130302 /nfs/dbraw/zinc/13/03/02/373130302.db2.gz DEZNRLUIIOKDIX-VXGBXAGGSA-N 2 1 256.353 2.343 20 0 CEADMP CSC1(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000368021300 373211598 /nfs/dbraw/zinc/21/15/98/373211598.db2.gz YMHALYCFDVUOMB-MGPQQGTHSA-N 2 1 266.454 2.298 20 0 CEADMP CSC1(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000368021300 373211612 /nfs/dbraw/zinc/21/16/12/373211612.db2.gz YMHALYCFDVUOMB-MGPQQGTHSA-N 2 1 266.454 2.298 20 0 CEADMP CSC1(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000368021300 373211617 /nfs/dbraw/zinc/21/16/17/373211617.db2.gz YMHALYCFDVUOMB-MGPQQGTHSA-N 2 1 266.454 2.298 20 0 CEADMP C[C@@H]([NH3+])CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000643527830 373185561 /nfs/dbraw/zinc/18/55/61/373185561.db2.gz TZKVXWODQJNBDP-MXASKKJJSA-N 2 1 273.424 2.119 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000643529561 373187758 /nfs/dbraw/zinc/18/77/58/373187758.db2.gz BAQSTMSAVVUSQD-TUKIKUTGSA-N 2 1 282.815 2.367 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)[C@@H]2CCC[C@H]21 ZINC000643548091 373205751 /nfs/dbraw/zinc/20/57/51/373205751.db2.gz MFTOREHGKVTYNJ-FXUDXRNXSA-N 2 1 277.456 2.124 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)[C@@H]2CCC[C@H]21 ZINC000643548091 373205759 /nfs/dbraw/zinc/20/57/59/373205759.db2.gz MFTOREHGKVTYNJ-FXUDXRNXSA-N 3 1 277.456 2.124 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)[C@@H]2CCC[C@H]21 ZINC000643548091 373205766 /nfs/dbraw/zinc/20/57/66/373205766.db2.gz MFTOREHGKVTYNJ-FXUDXRNXSA-N 3 1 277.456 2.124 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(CO)c1 ZINC000271954552 373233464 /nfs/dbraw/zinc/23/34/64/373233464.db2.gz KRPLQQLXJMUXEX-CYBMUJFWSA-N 2 1 274.408 2.456 20 0 CEADMP CC(C)Cc1noc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)n1 ZINC000643895287 373297934 /nfs/dbraw/zinc/29/79/34/373297934.db2.gz OILSTLWVMFGVQG-CYBMUJFWSA-N 2 1 292.427 2.232 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)[nH]n1 ZINC000353622868 220200116 /nfs/dbraw/zinc/20/01/16/220200116.db2.gz OTRGGJYOTSNFLK-SRMUXQRQSA-N 2 1 276.428 2.112 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n[nH]1 ZINC000353622868 220200119 /nfs/dbraw/zinc/20/01/19/220200119.db2.gz OTRGGJYOTSNFLK-SRMUXQRQSA-N 2 1 276.428 2.112 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n[nH]1 ZINC000353622868 220200123 /nfs/dbraw/zinc/20/01/23/220200123.db2.gz OTRGGJYOTSNFLK-SRMUXQRQSA-N 2 1 276.428 2.112 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000644574937 373539807 /nfs/dbraw/zinc/53/98/07/373539807.db2.gz MOPTVPFCUCNXMR-WQVCFCJDSA-N 2 1 296.842 2.316 20 0 CEADMP COCCSCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000370079666 373576078 /nfs/dbraw/zinc/57/60/78/373576078.db2.gz AKAWMBNJHOCXNP-UHFFFAOYSA-N 2 1 286.485 2.316 20 0 CEADMP COC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000370478846 373665230 /nfs/dbraw/zinc/66/52/30/373665230.db2.gz XKUJDOYMYVSLJD-XHSDSOJGSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)(O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371176035 373807040 /nfs/dbraw/zinc/80/70/40/373807040.db2.gz JNCKTHHLUVMHIC-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP O[C@@H]1CCCC[C@H]1[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371205695 373812147 /nfs/dbraw/zinc/81/21/47/373812147.db2.gz VADAYUFBJQCDDD-BRWVUGGUSA-N 2 1 280.456 2.488 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)C1 ZINC000371263766 373824540 /nfs/dbraw/zinc/82/45/40/373824540.db2.gz CYSYZENRCRAFHU-ZNMIVQPWSA-N 2 1 293.455 2.027 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC(F)(F)F ZINC000371291962 373831898 /nfs/dbraw/zinc/83/18/98/373831898.db2.gz AJRSOGXGZVOOGL-IJLUTSLNSA-N 2 1 280.334 2.122 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC(F)(F)F ZINC000371291962 373831907 /nfs/dbraw/zinc/83/19/07/373831907.db2.gz AJRSOGXGZVOOGL-IJLUTSLNSA-N 2 1 280.334 2.122 20 0 CEADMP COC(=O)[C@H]1C[N@@H+](CCCCn2ccnc2C)CC1(C)C ZINC000371321123 373841125 /nfs/dbraw/zinc/84/11/25/373841125.db2.gz NZORMCWFJPHJDP-CQSZACIVSA-N 2 1 293.411 2.103 20 0 CEADMP COC(=O)[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)CC1(C)C ZINC000371321123 373841130 /nfs/dbraw/zinc/84/11/30/373841130.db2.gz NZORMCWFJPHJDP-CQSZACIVSA-N 2 1 293.411 2.103 20 0 CEADMP COC(=O)[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CC1(C)C ZINC000371321123 373841135 /nfs/dbraw/zinc/84/11/35/373841135.db2.gz NZORMCWFJPHJDP-CQSZACIVSA-N 2 1 293.411 2.103 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cn1 ZINC000371320326 373841318 /nfs/dbraw/zinc/84/13/18/373841318.db2.gz BPIYRKAQJMWMIJ-DZGCQCFKSA-N 2 1 286.379 2.370 20 0 CEADMP COc1ccc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)cn1 ZINC000371320326 373841322 /nfs/dbraw/zinc/84/13/22/373841322.db2.gz BPIYRKAQJMWMIJ-DZGCQCFKSA-N 2 1 286.379 2.370 20 0 CEADMP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000371723639 373960177 /nfs/dbraw/zinc/96/01/77/373960177.db2.gz MDNIHDBCDJOBLH-IAGOWNOFSA-N 2 1 284.407 2.203 20 0 CEADMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000371723639 373960180 /nfs/dbraw/zinc/96/01/80/373960180.db2.gz MDNIHDBCDJOBLH-IAGOWNOFSA-N 2 1 284.407 2.203 20 0 CEADMP C[N@H+]1CCC[C@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000645685071 374136934 /nfs/dbraw/zinc/13/69/34/374136934.db2.gz SMOUPZJMUWWSPR-CVEARBPZSA-N 2 1 295.471 2.275 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC[C@@H]2CCOC2)C1 ZINC000645811435 374200470 /nfs/dbraw/zinc/20/04/70/374200470.db2.gz WKXNVYKPLDAHJL-SJORKVTESA-N 2 1 280.456 2.467 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000645811435 374200476 /nfs/dbraw/zinc/20/04/76/374200476.db2.gz WKXNVYKPLDAHJL-SJORKVTESA-N 2 1 280.456 2.467 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645811435 374200480 /nfs/dbraw/zinc/20/04/80/374200480.db2.gz WKXNVYKPLDAHJL-SJORKVTESA-N 2 1 280.456 2.467 20 0 CEADMP C(CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)C[NH+]1CCCCC1 ZINC000372900372 374220590 /nfs/dbraw/zinc/22/05/90/374220590.db2.gz BXWBHLBTBQCYOX-FGTMMUONSA-N 3 1 291.483 2.279 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(n2ccnc2)CC1 ZINC000373111739 374270660 /nfs/dbraw/zinc/27/06/60/374270660.db2.gz VQGKHZGHQBZRGE-OAHLLOKOSA-N 3 1 276.428 2.394 20 0 CEADMP CN1CCCC[C@@H]1CC[NH+]1CCC(n2ccnc2)CC1 ZINC000373111739 374270661 /nfs/dbraw/zinc/27/06/61/374270661.db2.gz VQGKHZGHQBZRGE-OAHLLOKOSA-N 3 1 276.428 2.394 20 0 CEADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000373018019 374243450 /nfs/dbraw/zinc/24/34/50/374243450.db2.gz IJJLVFQKMRLZFF-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCSC1 ZINC000373265176 374312105 /nfs/dbraw/zinc/31/21/05/374312105.db2.gz UBPXTXZZQFUKRW-MJBXVCDLSA-N 2 1 254.443 2.298 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000373162934 374281208 /nfs/dbraw/zinc/28/12/08/374281208.db2.gz FLQJGUPRHYVSGC-RDJZCZTQSA-N 2 1 274.408 2.448 20 0 CEADMP Cc1nccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000373606596 374389461 /nfs/dbraw/zinc/38/94/61/374389461.db2.gz DUBJJCFGXVQRPD-WMLDXEAASA-N 2 1 286.423 2.234 20 0 CEADMP C[C@@H]1CCC[N@H+]1C1CCN(C[C@@](C)(O)C(F)(F)F)CC1 ZINC000373950972 374454751 /nfs/dbraw/zinc/45/47/51/374454751.db2.gz PEGQJPBYVWPSLR-DGCLKSJQSA-N 2 1 294.361 2.248 20 0 CEADMP Cc1cccc(NC2CC[NH+](C[C@@H](O)C(C)C)CC2)[nH+]1 ZINC000374094454 374486729 /nfs/dbraw/zinc/48/67/29/374486729.db2.gz NKNNQEAUOKULMV-OAHLLOKOSA-N 2 1 277.412 2.283 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000277408927 374508669 /nfs/dbraw/zinc/50/86/69/374508669.db2.gz IHDZZUPNDVTGHO-CYBMUJFWSA-N 2 1 263.385 2.012 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000277408927 374508676 /nfs/dbraw/zinc/50/86/76/374508676.db2.gz IHDZZUPNDVTGHO-CYBMUJFWSA-N 2 1 263.385 2.012 20 0 CEADMP CCOc1ccc(C[NH2+]CCC[N@H+](C)CCOC)cc1F ZINC000278405766 374807283 /nfs/dbraw/zinc/80/72/83/374807283.db2.gz OLXUBKHIUGKMQJ-UHFFFAOYSA-N 2 1 298.402 2.282 20 0 CEADMP CCOc1ccc(C[NH2+]CCC[N@@H+](C)CCOC)cc1F ZINC000278405766 374807287 /nfs/dbraw/zinc/80/72/87/374807287.db2.gz OLXUBKHIUGKMQJ-UHFFFAOYSA-N 2 1 298.402 2.282 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000684372968 541986709 /nfs/dbraw/zinc/98/67/09/541986709.db2.gz UTDAYQJHXAZYBA-VVLHAWIVSA-N 2 1 298.471 2.423 20 0 CEADMP Cc1ncccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000378366755 375083347 /nfs/dbraw/zinc/08/33/47/375083347.db2.gz BPPIZHOTSRRBFT-IXDOHACOSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ncccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000378366755 375083351 /nfs/dbraw/zinc/08/33/51/375083351.db2.gz BPPIZHOTSRRBFT-IXDOHACOSA-N 2 1 289.423 2.074 20 0 CEADMP CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCCn2ccnc2)C1 ZINC000378444423 375101226 /nfs/dbraw/zinc/10/12/26/375101226.db2.gz WVIBTKLLWLXTNB-SFHVURJKSA-N 2 1 298.434 2.480 20 0 CEADMP COc1ccc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000380750247 375166388 /nfs/dbraw/zinc/16/63/88/375166388.db2.gz MRAHSCZKDKGPSS-IYBDPMFKSA-N 2 1 274.408 2.169 20 0 CEADMP CO[C@](C)(C[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000384329508 375210559 /nfs/dbraw/zinc/21/05/59/375210559.db2.gz TYCIKZXRRZYPLO-MRXNPFEDSA-N 2 1 262.397 2.232 20 0 CEADMP CO[C@@H](C)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280513879 375228326 /nfs/dbraw/zinc/22/83/26/375228326.db2.gz RMYSWHRQSYIXJH-BHYGNILZSA-N 2 1 274.408 2.085 20 0 CEADMP CO[C@@H](C)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280513879 375228337 /nfs/dbraw/zinc/22/83/37/375228337.db2.gz RMYSWHRQSYIXJH-BHYGNILZSA-N 2 1 274.408 2.085 20 0 CEADMP CO[C@@H](C)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280513879 375228345 /nfs/dbraw/zinc/22/83/45/375228345.db2.gz RMYSWHRQSYIXJH-BHYGNILZSA-N 2 1 274.408 2.085 20 0 CEADMP COCC1(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CCC1 ZINC000394119219 375327035 /nfs/dbraw/zinc/32/70/35/375327035.db2.gz CVXAISDVUNDNEN-CQSZACIVSA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H](C)O ZINC000386716163 375265423 /nfs/dbraw/zinc/26/54/23/375265423.db2.gz QUQCNXGPDISYCD-WMLDXEAASA-N 2 1 276.424 2.400 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)C(C)(C)C ZINC000399523750 375365776 /nfs/dbraw/zinc/36/57/76/375365776.db2.gz RMCGUXURMZTZMA-UONOGXRCSA-N 2 1 258.450 2.302 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C[C@H](C)C(C)(C)C ZINC000399523750 375365778 /nfs/dbraw/zinc/36/57/78/375365778.db2.gz RMCGUXURMZTZMA-UONOGXRCSA-N 2 1 258.450 2.302 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000399523750 375365781 /nfs/dbraw/zinc/36/57/81/375365781.db2.gz RMCGUXURMZTZMA-UONOGXRCSA-N 2 1 258.450 2.302 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C(C)C ZINC000411551583 375530980 /nfs/dbraw/zinc/53/09/80/375530980.db2.gz NMQBMJZCEOLCKY-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[N@@H+]1CC[C@H](CNc2cc(C)[nH+]c(CC)n2)C1 ZINC000283540733 375723062 /nfs/dbraw/zinc/72/30/62/375723062.db2.gz LTNXWBXHSAHWQG-CYBMUJFWSA-N 2 1 262.401 2.491 20 0 CEADMP CCC[N@H+]1CC[C@H](CNc2cc(C)[nH+]c(CC)n2)C1 ZINC000283540733 375723068 /nfs/dbraw/zinc/72/30/68/375723068.db2.gz LTNXWBXHSAHWQG-CYBMUJFWSA-N 2 1 262.401 2.491 20 0 CEADMP COc1cc(C)c(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1OC ZINC000414793211 375975705 /nfs/dbraw/zinc/97/57/05/375975705.db2.gz JWZBSASBHVZMGB-CYBMUJFWSA-N 2 1 266.385 2.085 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414678495 375913265 /nfs/dbraw/zinc/91/32/65/375913265.db2.gz YLLONAXEDGECFI-LSDHHAIUSA-N 2 1 289.423 2.253 20 0 CEADMP CCOC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414692712 375922627 /nfs/dbraw/zinc/92/26/27/375922627.db2.gz KWYOKFFDEJQZLE-QLFBSQMISA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(C)[NH2+]CC[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000414710821 375936060 /nfs/dbraw/zinc/93/60/60/375936060.db2.gz QMMFYJSRJYIOMH-HNNXBMFYSA-N 2 1 256.434 2.295 20 0 CEADMP CC[N@@H+](CCc1nccs1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414714043 375936867 /nfs/dbraw/zinc/93/68/67/375936867.db2.gz WWGJKFIGVNYQDJ-CHWSQXEVSA-N 2 1 267.442 2.396 20 0 CEADMP CCN1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)[C@H](C)C1 ZINC000286403474 375942441 /nfs/dbraw/zinc/94/24/41/375942441.db2.gz HPAHKWIQAGGTSD-OAHLLOKOSA-N 2 1 284.407 2.398 20 0 CEADMP CCN1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)[C@H](C)C1 ZINC000286403474 375942445 /nfs/dbraw/zinc/94/24/45/375942445.db2.gz HPAHKWIQAGGTSD-OAHLLOKOSA-N 2 1 284.407 2.398 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1cnc2c(C)cccn12 ZINC000414808082 375993318 /nfs/dbraw/zinc/99/33/18/375993318.db2.gz JYYAVCVUFFBXQR-UHFFFAOYSA-N 2 1 260.385 2.250 20 0 CEADMP C[C@H]([NH3+])CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000414819647 376006796 /nfs/dbraw/zinc/00/67/96/376006796.db2.gz HZROOEQVXQJTNY-YCPHGPKFSA-N 3 1 267.461 2.356 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414825041 376008700 /nfs/dbraw/zinc/00/87/00/376008700.db2.gz RUUXYDWSLNVXHL-QXSJWSMHSA-N 3 1 267.461 2.275 20 0 CEADMP Cc1nc2ccc(C[NH2+][C@H](C[NH3+])C3CC3)cc2s1 ZINC000414803988 375989218 /nfs/dbraw/zinc/98/92/18/375989218.db2.gz KAEYHLRXCZEPHU-CYBMUJFWSA-N 2 1 261.394 2.432 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000414805383 375991052 /nfs/dbraw/zinc/99/10/52/375991052.db2.gz PPYVBLQKLPSMGP-GFCCVEGCSA-N 2 1 274.286 2.412 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000287050028 376138848 /nfs/dbraw/zinc/13/88/48/376138848.db2.gz MWYSHADMXNDPSX-HNNXBMFYSA-N 2 1 282.815 2.447 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CC(C)C ZINC000417349439 376186245 /nfs/dbraw/zinc/18/62/45/376186245.db2.gz FBRZROCWKCQGQN-ILXRZTDVSA-N 2 1 254.418 2.264 20 0 CEADMP COc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2C)c(F)cn1 ZINC000287873933 376331972 /nfs/dbraw/zinc/33/19/72/376331972.db2.gz YAKCFSBKKMQJFH-JTQLQIEISA-N 2 1 278.331 2.085 20 0 CEADMP CN(CC[C@@H]1CCC[N@H+]1C)C(C)(C)C[NH+]1CCCC1 ZINC000419376041 376447849 /nfs/dbraw/zinc/44/78/49/376447849.db2.gz RJJQMXXZNNYNOE-HNNXBMFYSA-N 2 1 267.461 2.277 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000305810967 376501603 /nfs/dbraw/zinc/50/16/03/376501603.db2.gz MEPLZWNQOVXXAX-JKSUJKDBSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000305810967 376501612 /nfs/dbraw/zinc/50/16/12/376501612.db2.gz MEPLZWNQOVXXAX-JKSUJKDBSA-N 2 1 279.428 2.455 20 0 CEADMP C[NH2+]C[C@@H]1CCCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000420112420 376573022 /nfs/dbraw/zinc/57/30/22/376573022.db2.gz AYIZKHAZWRQOPG-ZDUSSCGKSA-N 2 1 291.443 2.102 20 0 CEADMP CCn1nc(C)c(C[NH2+]CCCn2cc[nH+]c2C)c1C ZINC000264369460 190105621 /nfs/dbraw/zinc/10/56/21/190105621.db2.gz LKJFYAGXSIHPRX-UHFFFAOYSA-N 2 1 275.400 2.205 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1nccs1 ZINC000310757237 376635431 /nfs/dbraw/zinc/63/54/31/376635431.db2.gz LQOJIUVVZFBKAW-LLVKDONJSA-N 2 1 265.426 2.463 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]C(C)(C)CCc1ccccc1)C1CC1 ZINC000290093249 376640228 /nfs/dbraw/zinc/64/02/28/376640228.db2.gz WAQUTFCAGCLSRI-KRWDZBQOSA-N 2 1 290.451 2.443 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]C(C)(C)CCc1ccccc1)C1CC1 ZINC000290093249 376640240 /nfs/dbraw/zinc/64/02/40/376640240.db2.gz WAQUTFCAGCLSRI-KRWDZBQOSA-N 2 1 290.451 2.443 20 0 CEADMP CC1(C)CCC[NH2+][C@H]1CNc1cc(NC2CC2)[nH+]cn1 ZINC000420234136 376642159 /nfs/dbraw/zinc/64/21/59/376642159.db2.gz AVNNXXCVQNQJPK-LBPRGKRZSA-N 2 1 275.400 2.241 20 0 CEADMP CCCOc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000559018924 376659166 /nfs/dbraw/zinc/65/91/66/376659166.db2.gz NMLQSBCSAGEJHX-IYBDPMFKSA-N 2 1 274.408 2.469 20 0 CEADMP CCCOc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000559018924 376659173 /nfs/dbraw/zinc/65/91/73/376659173.db2.gz NMLQSBCSAGEJHX-IYBDPMFKSA-N 2 1 274.408 2.469 20 0 CEADMP CCCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000559018924 376659179 /nfs/dbraw/zinc/65/91/79/376659179.db2.gz NMLQSBCSAGEJHX-IYBDPMFKSA-N 2 1 274.408 2.469 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1C1CCCC1)C1CC1 ZINC000311469258 376671488 /nfs/dbraw/zinc/67/14/88/376671488.db2.gz XWQORIJQNXLUBG-JKSUJKDBSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1C1CCCC1)C1CC1 ZINC000311469258 376671496 /nfs/dbraw/zinc/67/14/96/376671496.db2.gz XWQORIJQNXLUBG-JKSUJKDBSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCCC1)C1CC1 ZINC000311469258 376671504 /nfs/dbraw/zinc/67/15/04/376671504.db2.gz XWQORIJQNXLUBG-JKSUJKDBSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1C1CCCC1)C1CC1 ZINC000311469258 376671509 /nfs/dbraw/zinc/67/15/09/376671509.db2.gz XWQORIJQNXLUBG-JKSUJKDBSA-N 2 1 266.429 2.096 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000311578649 376677973 /nfs/dbraw/zinc/67/79/73/376677973.db2.gz STRCRKVYNSJGLE-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP COc1ccc(F)cc1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000311906132 376692881 /nfs/dbraw/zinc/69/28/81/376692881.db2.gz DILAPDAPQXAJTJ-BXUZGUMPSA-N 2 1 266.360 2.264 20 0 CEADMP COc1ccc(F)cc1C[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000311906132 376692894 /nfs/dbraw/zinc/69/28/94/376692894.db2.gz DILAPDAPQXAJTJ-BXUZGUMPSA-N 2 1 266.360 2.264 20 0 CEADMP COc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1O ZINC000290394296 376759961 /nfs/dbraw/zinc/75/99/61/376759961.db2.gz JADOPTRSNAALOW-CABCVRRESA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1O ZINC000290394296 376759967 /nfs/dbraw/zinc/75/99/67/376759967.db2.gz JADOPTRSNAALOW-CABCVRRESA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1O ZINC000290394296 376759974 /nfs/dbraw/zinc/75/99/74/376759974.db2.gz JADOPTRSNAALOW-CABCVRRESA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1O ZINC000290394296 376759980 /nfs/dbraw/zinc/75/99/80/376759980.db2.gz JADOPTRSNAALOW-CABCVRRESA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1O ZINC000290394296 376759988 /nfs/dbraw/zinc/75/99/88/376759988.db2.gz JADOPTRSNAALOW-CABCVRRESA-N 2 1 290.407 2.317 20 0 CEADMP CN(CC[N@@H+](C)Cc1ccccc1)C[C@H]1CCC[NH+]1C ZINC000420995502 376764681 /nfs/dbraw/zinc/76/46/81/376764681.db2.gz IGFRDZZHDITORD-QGZVFWFLSA-N 2 1 275.440 2.144 20 0 CEADMP CN(CC[NH+](C)Cc1ccccc1)C[C@H]1CCC[N@@H+]1C ZINC000420995502 376764686 /nfs/dbraw/zinc/76/46/86/376764686.db2.gz IGFRDZZHDITORD-QGZVFWFLSA-N 2 1 275.440 2.144 20 0 CEADMP CN(CC[NH+](C)Cc1ccccc1)C[C@H]1CCC[N@H+]1C ZINC000420995502 376764693 /nfs/dbraw/zinc/76/46/93/376764693.db2.gz IGFRDZZHDITORD-QGZVFWFLSA-N 2 1 275.440 2.144 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@H](O)C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000420917612 376739059 /nfs/dbraw/zinc/73/90/59/376739059.db2.gz SYLBPILGULBURL-KURKYZTESA-N 2 1 288.435 2.211 20 0 CEADMP C[NH+](C[C@H]1C[C@@H](O)C1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420917612 376739067 /nfs/dbraw/zinc/73/90/67/376739067.db2.gz SYLBPILGULBURL-KURKYZTESA-N 2 1 288.435 2.211 20 0 CEADMP C[NH+](C[C@H]1C[C@@H](O)C1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420917612 376739078 /nfs/dbraw/zinc/73/90/78/376739078.db2.gz SYLBPILGULBURL-KURKYZTESA-N 2 1 288.435 2.211 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000314318630 376769956 /nfs/dbraw/zinc/76/99/56/376769956.db2.gz RSCQISRKEMRFCN-CXAGYDPISA-N 2 1 292.423 2.429 20 0 CEADMP Cc1cccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000280067679 542116587 /nfs/dbraw/zinc/11/65/87/542116587.db2.gz KUNJFRZFQPQGTN-IVMMDQJWSA-N 2 1 261.413 2.251 20 0 CEADMP COC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCCCC1 ZINC000319605092 376817424 /nfs/dbraw/zinc/81/74/24/376817424.db2.gz JYNDSBDZUKTKAI-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+](CC)[C@H](CN[C@H](C)C[C@@H](C)[NH3+])c1ccco1 ZINC000422975369 376898324 /nfs/dbraw/zinc/89/83/24/376898324.db2.gz SPWNYAKDCJHBRE-MGPQQGTHSA-N 2 1 267.417 2.378 20 0 CEADMP Cc1ccn2c(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)cnc2c1 ZINC000328630120 376867336 /nfs/dbraw/zinc/86/73/36/376867336.db2.gz JATHOVVXEKTUTN-CQSZACIVSA-N 2 1 295.390 2.191 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422997033 376915410 /nfs/dbraw/zinc/91/54/10/376915410.db2.gz NDJKQNCOPFTVIG-BZUAXINKSA-N 2 1 267.461 2.227 20 0 CEADMP CC[C@H](NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000423001395 376920479 /nfs/dbraw/zinc/92/04/79/376920479.db2.gz WWSZWZFXNUEEAW-ULQDDVLXSA-N 2 1 281.488 2.475 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)nc21)[C@@H]1CCC[NH2+]1 ZINC000423003317 376921810 /nfs/dbraw/zinc/92/18/10/376921810.db2.gz HKETUTVACDNNKP-ILXRZTDVSA-N 2 1 276.428 2.189 20 0 CEADMP Cc1cnc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000423015468 376930140 /nfs/dbraw/zinc/93/01/40/376930140.db2.gz RAKFNWMKNJVIBI-SJORKVTESA-N 2 1 296.418 2.410 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC[C@H]2O)C[C@@H]1C ZINC000562554673 376931809 /nfs/dbraw/zinc/93/18/09/376931809.db2.gz SKZFGPOXBRRCHH-YHUYYLMFSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC[C@H]2O)C[C@@H]1C ZINC000562554673 376931813 /nfs/dbraw/zinc/93/18/13/376931813.db2.gz SKZFGPOXBRRCHH-YHUYYLMFSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC[C@H]2O)C[C@@H]1C ZINC000562554673 376931822 /nfs/dbraw/zinc/93/18/22/376931822.db2.gz SKZFGPOXBRRCHH-YHUYYLMFSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@@H](NC[C@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423084538 376977474 /nfs/dbraw/zinc/97/74/74/376977474.db2.gz IHALYTSOELKMLW-QLFBSQMISA-N 2 1 267.461 2.227 20 0 CEADMP COCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000562653603 376956343 /nfs/dbraw/zinc/95/63/43/376956343.db2.gz JZTLRBSWIGKVDW-SLTAFYQDSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])C[NH+]1CCCC1 ZINC000423069915 376961761 /nfs/dbraw/zinc/96/17/61/376961761.db2.gz FKJXYGOOFJTSSP-LSDHHAIUSA-N 3 1 267.461 2.216 20 0 CEADMP CCNC(=O)C1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCC1 ZINC000423076892 376969394 /nfs/dbraw/zinc/96/93/94/376969394.db2.gz KSKHUMSLJGEHFT-HUUCEWRRSA-N 2 1 287.407 2.027 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1c[nH+]ccc1N ZINC000423119511 377015313 /nfs/dbraw/zinc/01/53/13/377015313.db2.gz CSMQTJDXDJGKJI-FDQGKXFDSA-N 2 1 297.402 2.311 20 0 CEADMP COCC1(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)CCC1 ZINC000423132994 377032838 /nfs/dbraw/zinc/03/28/38/377032838.db2.gz JUWJAGMUAYKAEX-LBPRGKRZSA-N 2 1 263.385 2.352 20 0 CEADMP OC[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CC1 ZINC000423144040 377042691 /nfs/dbraw/zinc/04/26/91/377042691.db2.gz YDZUDMQDGNXUJK-ULQDDVLXSA-N 2 1 274.408 2.088 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]C1CC(N2CCCCC2)C1 ZINC000423095197 376989020 /nfs/dbraw/zinc/98/90/20/376989020.db2.gz LPIZSVSNVPMVCK-NFOMZHRRSA-N 2 1 253.434 2.110 20 0 CEADMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)nc1 ZINC000562748203 376994019 /nfs/dbraw/zinc/99/40/19/376994019.db2.gz ZEWMIEMNYRLRGM-UHFFFAOYSA-N 2 1 274.368 2.117 20 0 CEADMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)nc1 ZINC000562748203 376994020 /nfs/dbraw/zinc/99/40/20/376994020.db2.gz ZEWMIEMNYRLRGM-UHFFFAOYSA-N 2 1 274.368 2.117 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423106696 377000854 /nfs/dbraw/zinc/00/08/54/377000854.db2.gz OTIOEPMOLYWAJA-RYUDHWBXSA-N 2 1 285.338 2.433 20 0 CEADMP OC[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423152860 377054413 /nfs/dbraw/zinc/05/44/13/377054413.db2.gz FTECPBILZRPBND-IWCQGFGOSA-N 2 1 274.408 2.230 20 0 CEADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423158973 377061773 /nfs/dbraw/zinc/06/17/73/377061773.db2.gz XOZJMTHPESOXJB-NPJQDHAYSA-N 2 1 266.429 2.025 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423160211 377063423 /nfs/dbraw/zinc/06/34/23/377063423.db2.gz ZFTPPKJTNCKUCS-QWHCGFSZSA-N 2 1 272.751 2.327 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423171030 377080286 /nfs/dbraw/zinc/08/02/86/377080286.db2.gz NETJEMCLKUSRFK-DZGCQCFKSA-N 3 1 290.455 2.231 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C12CCC2 ZINC000423173060 377082081 /nfs/dbraw/zinc/08/20/81/377082081.db2.gz WUAZWEMRSQAWQC-XJFOESAGSA-N 2 1 252.402 2.064 20 0 CEADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(CO)c1 ZINC000423192755 377106945 /nfs/dbraw/zinc/10/69/45/377106945.db2.gz WDGOPKGXPYUGNF-HNNXBMFYSA-N 2 1 299.418 2.404 20 0 CEADMP CCOC[C@H]1CCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423192769 377107266 /nfs/dbraw/zinc/10/72/66/377107266.db2.gz WFOWPLBZFUFALC-IAGOWNOFSA-N 2 1 291.439 2.356 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1nc2ccccc2n1C ZINC000423212051 377128945 /nfs/dbraw/zinc/12/89/45/377128945.db2.gz LMWIDJIYBHNLAX-STQMWFEESA-N 2 1 272.396 2.224 20 0 CEADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CC[NH2+]C2)C3)cc1 ZINC000423216705 377134715 /nfs/dbraw/zinc/13/47/15/377134715.db2.gz QNVLNYVWCAASLA-XLAORIBOSA-N 2 1 285.435 2.134 20 0 CEADMP [NH3+]C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000423273834 377195972 /nfs/dbraw/zinc/19/59/72/377195972.db2.gz JPFBEMIPHKSREI-MANSERQUSA-N 2 1 299.462 2.224 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(C)c1OC ZINC000423230323 377148343 /nfs/dbraw/zinc/14/83/43/377148343.db2.gz DIYZSOVGORSWJD-SWLSCSKDSA-N 2 1 292.423 2.285 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563270207 377150582 /nfs/dbraw/zinc/15/05/82/377150582.db2.gz WOOIFBDGZJSGAV-KRWDZBQOSA-N 3 1 275.440 2.138 20 0 CEADMP CC(C)[C@@H]([NH3+])CCN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563270207 377150589 /nfs/dbraw/zinc/15/05/89/377150589.db2.gz WOOIFBDGZJSGAV-KRWDZBQOSA-N 2 1 275.440 2.138 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1OC ZINC000423274557 377197210 /nfs/dbraw/zinc/19/72/10/377197210.db2.gz MHGGNZMAACYKKR-AAEUAGOBSA-N 2 1 266.385 2.338 20 0 CEADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C[NH3+])C1CC1 ZINC000423273844 377197533 /nfs/dbraw/zinc/19/75/33/377197533.db2.gz JPGKRGOBKDJLIM-JKSUJKDBSA-N 2 1 260.381 2.400 20 0 CEADMP C[NH2+]CC[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000423252199 377173174 /nfs/dbraw/zinc/17/31/74/377173174.db2.gz XJKIYWKVTVCSTE-SNVBAGLBSA-N 2 1 260.303 2.445 20 0 CEADMP CC(C)C[C@H](C[NH3+])N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423261688 377178985 /nfs/dbraw/zinc/17/89/85/377178985.db2.gz KMVOAJUJMCVDJI-CGTJXYLNSA-N 2 1 289.467 2.470 20 0 CEADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C1 ZINC000423265134 377181873 /nfs/dbraw/zinc/18/18/73/377181873.db2.gz ATVCFGRBLVIXPJ-NWANDNLSSA-N 2 1 282.428 2.215 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000423267057 377185170 /nfs/dbraw/zinc/18/51/70/377185170.db2.gz DRUJRLYLTRZPIK-HIFRSBDPSA-N 2 1 277.412 2.367 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])c(C)c1OC ZINC000423281380 377210630 /nfs/dbraw/zinc/21/06/30/377210630.db2.gz BEQGYGCKQNRUAH-LLVKDONJSA-N 2 1 266.385 2.400 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)ccc1F ZINC000423284446 377212356 /nfs/dbraw/zinc/21/23/56/377212356.db2.gz XYSXYDKUUTWWBF-ZWNOBZJWSA-N 2 1 254.349 2.468 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)C1CC1 ZINC000423285198 377215115 /nfs/dbraw/zinc/21/51/15/377215115.db2.gz XZGZZQHFIREAQZ-OAHLLOKOSA-N 2 1 295.377 2.261 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCC4C[NH2+]C4)[C@H]3C2)cc1 ZINC000423300524 377230253 /nfs/dbraw/zinc/23/02/53/377230253.db2.gz FDCXFLPEGJPUGV-GBESFXJTSA-N 2 1 299.462 2.096 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4C[NH2+]C4)[C@H]3C2)cc1 ZINC000423300524 377230259 /nfs/dbraw/zinc/23/02/59/377230259.db2.gz FDCXFLPEGJPUGV-GBESFXJTSA-N 3 1 299.462 2.096 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4C[NH2+]C4)[C@H]3C2)cc1 ZINC000423300524 377230265 /nfs/dbraw/zinc/23/02/65/377230265.db2.gz FDCXFLPEGJPUGV-GBESFXJTSA-N 3 1 299.462 2.096 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000423304981 377234687 /nfs/dbraw/zinc/23/46/87/377234687.db2.gz ZUXDZJBOKBSJFZ-XJFOESAGSA-N 2 1 252.402 2.051 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(F)(F)C[NH3+] ZINC000423323769 377255265 /nfs/dbraw/zinc/25/52/65/377255265.db2.gz KFYTUBQUVJSSII-HIFRSBDPSA-N 2 1 297.393 2.081 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(F)(F)C[NH3+] ZINC000423323769 377255268 /nfs/dbraw/zinc/25/52/68/377255268.db2.gz KFYTUBQUVJSSII-HIFRSBDPSA-N 2 1 297.393 2.081 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)ccc1F ZINC000423277755 377203058 /nfs/dbraw/zinc/20/30/58/377203058.db2.gz OOQMCKCJWMVNDJ-TVQRCGJNSA-N 2 1 252.333 2.222 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000563718643 377284348 /nfs/dbraw/zinc/28/43/48/377284348.db2.gz VQXWRLNPBPTQKV-INIZCTEOSA-N 2 1 289.423 2.019 20 0 CEADMP FC(F)Oc1cccc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000563819630 377299092 /nfs/dbraw/zinc/29/90/92/377299092.db2.gz NNCMLCNWCAJSSA-UHFFFAOYSA-N 2 1 270.323 2.473 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000563866226 377308013 /nfs/dbraw/zinc/30/80/13/377308013.db2.gz QYPAASNPLAYUNX-BRWVUGGUSA-N 3 1 279.472 2.181 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000563866226 377308020 /nfs/dbraw/zinc/30/80/20/377308020.db2.gz QYPAASNPLAYUNX-BRWVUGGUSA-N 2 1 279.472 2.181 20 0 CEADMP C[N@H+](CC1CCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425917335 377387509 /nfs/dbraw/zinc/38/75/09/377387509.db2.gz CVLUFECIEPJGHL-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP C[N@@H+](CC1CCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425917335 377387515 /nfs/dbraw/zinc/38/75/15/377387515.db2.gz CVLUFECIEPJGHL-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP C[NH+](CC1CCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425917335 377387524 /nfs/dbraw/zinc/38/75/24/377387524.db2.gz CVLUFECIEPJGHL-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP C[NH+](CC1CCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425917335 377387529 /nfs/dbraw/zinc/38/75/29/377387529.db2.gz CVLUFECIEPJGHL-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564451205 377393452 /nfs/dbraw/zinc/39/34/52/377393452.db2.gz JHEBWTJBIFUNDV-ZACQAIPSSA-N 2 1 286.419 2.297 20 0 CEADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564451205 377393455 /nfs/dbraw/zinc/39/34/55/377393455.db2.gz JHEBWTJBIFUNDV-ZACQAIPSSA-N 2 1 286.419 2.297 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)Cc3ccccc3)C2)C1 ZINC000292903352 377342839 /nfs/dbraw/zinc/34/28/39/377342839.db2.gz GUGYHEYFEXEUFH-QZTJIDSGSA-N 2 1 288.435 2.008 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)Cc3ccccc3)C2)C1 ZINC000292903352 377342846 /nfs/dbraw/zinc/34/28/46/377342846.db2.gz GUGYHEYFEXEUFH-QZTJIDSGSA-N 2 1 288.435 2.008 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)Cc3ccccc3)C2)C1 ZINC000292903352 377342854 /nfs/dbraw/zinc/34/28/54/377342854.db2.gz GUGYHEYFEXEUFH-QZTJIDSGSA-N 2 1 288.435 2.008 20 0 CEADMP Cc1cccnc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292930673 377356554 /nfs/dbraw/zinc/35/65/54/377356554.db2.gz IZOZNLSYWFVHMS-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cccnc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292930673 377356560 /nfs/dbraw/zinc/35/65/60/377356560.db2.gz IZOZNLSYWFVHMS-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cccnc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292930673 377356565 /nfs/dbraw/zinc/35/65/65/377356565.db2.gz IZOZNLSYWFVHMS-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cccnc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292930673 377356571 /nfs/dbraw/zinc/35/65/71/377356571.db2.gz IZOZNLSYWFVHMS-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C2CCC2)cc1 ZINC000427888329 377464148 /nfs/dbraw/zinc/46/41/48/377464148.db2.gz WNXADRVZODUUGC-ZWKOTPCHSA-N 2 1 288.435 2.492 20 0 CEADMP Cc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C2CCC2)cc1 ZINC000427888329 377464154 /nfs/dbraw/zinc/46/41/54/377464154.db2.gz WNXADRVZODUUGC-ZWKOTPCHSA-N 2 1 288.435 2.492 20 0 CEADMP COc1ccc(F)c(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000293221855 377481204 /nfs/dbraw/zinc/48/12/04/377481204.db2.gz KAVGEANFISKGLT-UHFFFAOYSA-N 2 1 264.344 2.186 20 0 CEADMP Cc1cnccc1CC[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000564898444 377495670 /nfs/dbraw/zinc/49/56/70/377495670.db2.gz PAYLFELJILMDOR-QGZVFWFLSA-N 2 1 273.424 2.493 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000685657946 542176624 /nfs/dbraw/zinc/17/66/24/542176624.db2.gz VEBXGZHAFQYZSA-PMPSAXMXSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000685657946 542176628 /nfs/dbraw/zinc/17/66/28/542176628.db2.gz VEBXGZHAFQYZSA-PMPSAXMXSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000685657946 542176632 /nfs/dbraw/zinc/17/66/32/542176632.db2.gz VEBXGZHAFQYZSA-PMPSAXMXSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000685666087 542177692 /nfs/dbraw/zinc/17/76/92/542177692.db2.gz ZESIWFRAJVBUDD-PMPSAXMXSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000685666087 542177694 /nfs/dbraw/zinc/17/76/94/542177694.db2.gz ZESIWFRAJVBUDD-PMPSAXMXSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000685666087 542177699 /nfs/dbraw/zinc/17/76/99/542177699.db2.gz ZESIWFRAJVBUDD-PMPSAXMXSA-N 2 1 267.461 2.323 20 0 CEADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000332299403 377563793 /nfs/dbraw/zinc/56/37/93/377563793.db2.gz KMLAZMIICRYANU-HZPDHXFCSA-N 2 1 297.487 2.125 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430963733 377578360 /nfs/dbraw/zinc/57/83/60/377578360.db2.gz AXIFQRSKDUZHFI-LLVKDONJSA-N 2 1 288.313 2.365 20 0 CEADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000430965135 377577814 /nfs/dbraw/zinc/57/78/14/377577814.db2.gz KIOJJXSNZHOGAZ-FZMZJTMJSA-N 2 1 295.814 2.338 20 0 CEADMP Cc1cccn2cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)nc12 ZINC000166757883 542211696 /nfs/dbraw/zinc/21/16/96/542211696.db2.gz PRYLKQULBMKXNX-NVXWUHKLSA-N 2 1 298.434 2.402 20 0 CEADMP C[C@H](CC[N@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000313401035 249394500 /nfs/dbraw/zinc/39/45/00/249394500.db2.gz TYGKSRJMUUKEOR-ZBFHGGJFSA-N 2 1 262.397 2.230 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ncc[nH]1 ZINC000285576410 542215000 /nfs/dbraw/zinc/21/50/00/542215000.db2.gz IGRXRWKOCNEHRN-ZDUSSCGKSA-N 2 1 288.395 2.201 20 0 CEADMP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ncc[nH]1 ZINC000285802357 542216521 /nfs/dbraw/zinc/21/65/21/542216521.db2.gz VIRYAGVRWCZAPZ-LBPRGKRZSA-N 2 1 258.369 2.322 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000566088387 377721968 /nfs/dbraw/zinc/72/19/68/377721968.db2.gz KORQTAUDNKOZGV-HNNXBMFYSA-N 2 1 278.396 2.498 20 0 CEADMP CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCO1 ZINC000566132067 377732697 /nfs/dbraw/zinc/73/26/97/377732697.db2.gz SLNHNDXVDDZIQD-UAGQMJEPSA-N 2 1 298.471 2.015 20 0 CEADMP CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCO1 ZINC000566132067 377732706 /nfs/dbraw/zinc/73/27/06/377732706.db2.gz SLNHNDXVDDZIQD-UAGQMJEPSA-N 2 1 298.471 2.015 20 0 CEADMP OC1CC(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000432346399 377748974 /nfs/dbraw/zinc/74/89/74/377748974.db2.gz JDYFZXDZHIGLAH-UHFFFAOYSA-N 2 1 288.435 2.402 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000437972952 377876289 /nfs/dbraw/zinc/87/62/89/377876289.db2.gz SUPYUHLKIWJNDZ-KSZLIROESA-N 2 1 288.435 2.153 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000437972952 377876293 /nfs/dbraw/zinc/87/62/93/377876293.db2.gz SUPYUHLKIWJNDZ-KSZLIROESA-N 2 1 288.435 2.153 20 0 CEADMP C[C@H](C[NH2+]CC[C@@H]1CCOC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000438086011 377880454 /nfs/dbraw/zinc/88/04/54/377880454.db2.gz QYMJQUYBCVJOJZ-RBSFLKMASA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H](C[NH2+]CC[C@@H]1CCOC1)[N@H+]1CCC[C@@H](C)C1 ZINC000438086011 377880460 /nfs/dbraw/zinc/88/04/60/377880460.db2.gz QYMJQUYBCVJOJZ-RBSFLKMASA-N 2 1 254.418 2.123 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1C ZINC000442917170 378018067 /nfs/dbraw/zinc/01/80/67/378018067.db2.gz CKUAUFKTSLIPMM-OAHLLOKOSA-N 2 1 278.444 2.471 20 0 CEADMP CCc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057014 378030430 /nfs/dbraw/zinc/03/04/30/378030430.db2.gz DZQQFNAWURQXTA-AWEZNQCLSA-N 2 1 289.423 2.248 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC000447569610 378116582 /nfs/dbraw/zinc/11/65/82/378116582.db2.gz CRRZQTXZJBFVNJ-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000447569610 378116583 /nfs/dbraw/zinc/11/65/83/378116583.db2.gz CRRZQTXZJBFVNJ-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000447569610 378116587 /nfs/dbraw/zinc/11/65/87/378116587.db2.gz CRRZQTXZJBFVNJ-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000447569610 378116589 /nfs/dbraw/zinc/11/65/89/378116589.db2.gz CRRZQTXZJBFVNJ-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000447569610 378116593 /nfs/dbraw/zinc/11/65/93/378116593.db2.gz CRRZQTXZJBFVNJ-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC000447569611 378119463 /nfs/dbraw/zinc/11/94/63/378119463.db2.gz CRRZQTXZJBFVNJ-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000447569611 378119467 /nfs/dbraw/zinc/11/94/67/378119467.db2.gz CRRZQTXZJBFVNJ-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000447569611 378119472 /nfs/dbraw/zinc/11/94/72/378119472.db2.gz CRRZQTXZJBFVNJ-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000447569611 378119476 /nfs/dbraw/zinc/11/94/76/378119476.db2.gz CRRZQTXZJBFVNJ-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000447569611 378119479 /nfs/dbraw/zinc/11/94/79/378119479.db2.gz CRRZQTXZJBFVNJ-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1CCCOC1 ZINC000449780942 378229920 /nfs/dbraw/zinc/22/99/20/378229920.db2.gz HKLGXJGFARMHIA-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1CCCOC1 ZINC000449780942 378229927 /nfs/dbraw/zinc/22/99/27/378229927.db2.gz HKLGXJGFARMHIA-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cs1 ZINC000296218163 378456083 /nfs/dbraw/zinc/45/60/83/378456083.db2.gz ZTASTMPZLNOFSW-OCCSQVGLSA-N 2 1 268.426 2.164 20 0 CEADMP c1nc(CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cs1 ZINC000450440610 378418369 /nfs/dbraw/zinc/41/83/69/378418369.db2.gz PLJYPBLFSAZMCF-CQSZACIVSA-N 2 1 279.453 2.493 20 0 CEADMP c1nc(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cs1 ZINC000450440610 378418376 /nfs/dbraw/zinc/41/83/76/378418376.db2.gz PLJYPBLFSAZMCF-CQSZACIVSA-N 2 1 279.453 2.493 20 0 CEADMP CCC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000450605469 378496089 /nfs/dbraw/zinc/49/60/89/378496089.db2.gz ZUYHXNDNUOKOMM-BPUTZDHNSA-N 2 1 266.429 2.096 20 0 CEADMP CCC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000450605469 378496094 /nfs/dbraw/zinc/49/60/94/378496094.db2.gz ZUYHXNDNUOKOMM-BPUTZDHNSA-N 2 1 266.429 2.096 20 0 CEADMP CCC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000450605469 378496098 /nfs/dbraw/zinc/49/60/98/378496098.db2.gz ZUYHXNDNUOKOMM-BPUTZDHNSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(CCC(N)=O)CC1 ZINC000450643062 378514351 /nfs/dbraw/zinc/51/43/51/378514351.db2.gz DDHPPPUSNLSNLQ-INIZCTEOSA-N 2 1 295.471 2.227 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC(CCC(N)=O)CC1 ZINC000450643062 378514359 /nfs/dbraw/zinc/51/43/59/378514359.db2.gz DDHPPPUSNLSNLQ-INIZCTEOSA-N 2 1 295.471 2.227 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cn1 ZINC000296511405 378558062 /nfs/dbraw/zinc/55/80/62/378558062.db2.gz RMBZGUIUANSZKJ-TYNCELHUSA-N 2 1 286.379 2.231 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000451071892 378698247 /nfs/dbraw/zinc/69/82/47/378698247.db2.gz MYTWSOXBXCKKSP-XHSDSOJGSA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000451071892 378698250 /nfs/dbraw/zinc/69/82/50/378698250.db2.gz MYTWSOXBXCKKSP-XHSDSOJGSA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000451071892 378698255 /nfs/dbraw/zinc/69/82/55/378698255.db2.gz MYTWSOXBXCKKSP-XHSDSOJGSA-N 2 1 267.461 2.274 20 0 CEADMP Cc1ccccc1[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298503920 378748081 /nfs/dbraw/zinc/74/80/81/378748081.db2.gz QNHQJGGQEVASAE-KRWDZBQOSA-N 2 1 274.408 2.245 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000298438355 378727248 /nfs/dbraw/zinc/72/72/48/378727248.db2.gz ZCFOBSBZSUMVBM-UHFFFAOYSA-N 2 1 280.412 2.067 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncn1 ZINC000453094101 378800873 /nfs/dbraw/zinc/80/08/73/378800873.db2.gz WZYSBDSZVPGMSX-QLFBSQMISA-N 2 1 292.427 2.017 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000346772959 218011058 /nfs/dbraw/zinc/01/10/58/218011058.db2.gz BWPPYDSOCKAAOZ-BPUTZDHNSA-N 2 1 274.408 2.310 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cnc21 ZINC000346832613 218028481 /nfs/dbraw/zinc/02/84/81/218028481.db2.gz RFDYBDDSVJBNAQ-BPUTZDHNSA-N 2 1 299.422 2.181 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C[C@@H]12 ZINC000346832667 218028648 /nfs/dbraw/zinc/02/86/48/218028648.db2.gz MABCTMVRZKGVSH-NUEKZKHPSA-N 2 1 282.391 2.246 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C[C@@H]12 ZINC000346832667 218028650 /nfs/dbraw/zinc/02/86/50/218028650.db2.gz MABCTMVRZKGVSH-NUEKZKHPSA-N 2 1 282.391 2.246 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000346851361 218036245 /nfs/dbraw/zinc/03/62/45/218036245.db2.gz JGRIEGRUBBKLIX-ARFHVFGLSA-N 2 1 276.428 2.098 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)CC[N@H+]1C ZINC000453329799 378864230 /nfs/dbraw/zinc/86/42/30/378864230.db2.gz YBFIBRAGOKYRNI-KFWWJZLASA-N 2 1 266.429 2.408 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(CC)COC2)[C@H](C)C1 ZINC000453347222 378868879 /nfs/dbraw/zinc/86/88/79/378868879.db2.gz FFERAFAIHAIPMY-HZPDHXFCSA-N 2 1 298.471 2.140 20 0 CEADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cnn(C)c1 ZINC000453379022 378880504 /nfs/dbraw/zinc/88/05/04/378880504.db2.gz ZXHFFFPICXYPIV-JALIKCBVSA-N 2 1 262.401 2.086 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000453395287 378884790 /nfs/dbraw/zinc/88/47/90/378884790.db2.gz HOPSMLVPWGUGJP-BRWVUGGUSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000453395287 378884798 /nfs/dbraw/zinc/88/47/98/378884798.db2.gz HOPSMLVPWGUGJP-BRWVUGGUSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000453395287 378884802 /nfs/dbraw/zinc/88/48/02/378884802.db2.gz HOPSMLVPWGUGJP-BRWVUGGUSA-N 3 1 279.472 2.323 20 0 CEADMP CN1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)[C@H]2CCC[C@H]21 ZINC000453395287 378884808 /nfs/dbraw/zinc/88/48/08/378884808.db2.gz HOPSMLVPWGUGJP-BRWVUGGUSA-N 2 1 279.472 2.323 20 0 CEADMP CN1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@H]2CCC[C@H]21 ZINC000453395287 378884812 /nfs/dbraw/zinc/88/48/12/378884812.db2.gz HOPSMLVPWGUGJP-BRWVUGGUSA-N 2 1 279.472 2.323 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1nccn1C ZINC000453399790 378887114 /nfs/dbraw/zinc/88/71/14/378887114.db2.gz LLWJCXYOIAQJHJ-AWEZNQCLSA-N 2 1 264.417 2.335 20 0 CEADMP COC(=O)C1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453401373 378888793 /nfs/dbraw/zinc/88/87/93/378888793.db2.gz MUEMXSHFTZQCNV-UHFFFAOYSA-N 2 1 282.428 2.182 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)cn2)[C@@H](C)C1 ZINC000453419831 378898511 /nfs/dbraw/zinc/89/85/11/378898511.db2.gz JUEBMLCTPRLWNV-GOEBONIOSA-N 2 1 261.413 2.252 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000453422611 378899170 /nfs/dbraw/zinc/89/91/70/378899170.db2.gz MVXGWMTUJJKXPT-RDBSUJKOSA-N 2 1 254.418 2.264 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)o1 ZINC000453379904 378880285 /nfs/dbraw/zinc/88/02/85/378880285.db2.gz KRLRNUNZWUNNSB-MGPQQGTHSA-N 2 1 263.385 2.199 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)o1 ZINC000453379904 378880292 /nfs/dbraw/zinc/88/02/92/378880292.db2.gz KRLRNUNZWUNNSB-MGPQQGTHSA-N 2 1 263.385 2.199 20 0 CEADMP CC(C)([NH3+])C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000346988369 218081581 /nfs/dbraw/zinc/08/15/81/218081581.db2.gz QYXPFWQXLUDGKX-INIZCTEOSA-N 2 1 276.424 2.486 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnc(-c3ccccn3)s2)CC[C@@H]1[NH3+] ZINC000347036527 218100231 /nfs/dbraw/zinc/10/02/31/218100231.db2.gz GZJZMKRMTBBQKY-AAEUAGOBSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccccn3)s2)CC[C@@H]1[NH3+] ZINC000347036527 218100235 /nfs/dbraw/zinc/10/02/35/218100235.db2.gz GZJZMKRMTBBQKY-AAEUAGOBSA-N 2 1 288.420 2.374 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347042733 218103235 /nfs/dbraw/zinc/10/32/35/218103235.db2.gz LYBWFSMHRXONBD-HNNXBMFYSA-N 2 1 298.390 2.440 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000347052127 218105804 /nfs/dbraw/zinc/10/58/04/218105804.db2.gz VFZJBBSWCUTVIH-CABCVRRESA-N 2 1 297.487 2.390 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC000347060999 218107734 /nfs/dbraw/zinc/10/77/34/218107734.db2.gz VQRSTURBRZSYAL-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC000347060999 218107735 /nfs/dbraw/zinc/10/77/35/218107735.db2.gz VQRSTURBRZSYAL-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC000347060999 218107737 /nfs/dbraw/zinc/10/77/37/218107737.db2.gz VQRSTURBRZSYAL-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC000347060999 218107739 /nfs/dbraw/zinc/10/77/39/218107739.db2.gz VQRSTURBRZSYAL-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347100524 218121512 /nfs/dbraw/zinc/12/15/12/218121512.db2.gz LFOWDSIVIUWUMF-HNNXBMFYSA-N 2 1 297.402 2.441 20 0 CEADMP COc1cc2c(c(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)c1)O[C@H](C)C2 ZINC000347141428 218136399 /nfs/dbraw/zinc/13/63/99/218136399.db2.gz WJSLFFSMLOGLOE-OZVIIMIRSA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(c(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)c1)O[C@H](C)C2 ZINC000347141428 218136400 /nfs/dbraw/zinc/13/64/00/218136400.db2.gz WJSLFFSMLOGLOE-OZVIIMIRSA-N 2 1 290.407 2.188 20 0 CEADMP CCOc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccc1OC ZINC000347213257 218156653 /nfs/dbraw/zinc/15/66/53/218156653.db2.gz PJHIZFVHDXIOSX-UHFFFAOYSA-N 2 1 278.396 2.278 20 0 CEADMP CCOc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1OC ZINC000347213257 218156654 /nfs/dbraw/zinc/15/66/54/218156654.db2.gz PJHIZFVHDXIOSX-UHFFFAOYSA-N 2 1 278.396 2.278 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000299570381 379049779 /nfs/dbraw/zinc/04/97/79/379049779.db2.gz HQRKKOJRPZOFQV-UHFFFAOYSA-N 2 1 291.439 2.208 20 0 CEADMP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000503889667 379071649 /nfs/dbraw/zinc/07/16/49/379071649.db2.gz WTWWIOPTKREZJF-UMSGYPCISA-N 2 1 274.355 2.363 20 0 CEADMP Cc1ccccc1[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000289460061 197358588 /nfs/dbraw/zinc/35/85/88/197358588.db2.gz GEBGOMNZFYOEBN-AEFFLSMTSA-N 2 1 288.435 2.491 20 0 CEADMP Cc1ccccc1[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000289460061 197358590 /nfs/dbraw/zinc/35/85/90/197358590.db2.gz GEBGOMNZFYOEBN-AEFFLSMTSA-N 2 1 288.435 2.491 20 0 CEADMP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000300162604 379155123 /nfs/dbraw/zinc/15/51/23/379155123.db2.gz VFLVXQFEZMDWTL-QSPRXWTASA-N 2 1 278.440 2.432 20 0 CEADMP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000300162604 379155132 /nfs/dbraw/zinc/15/51/32/379155132.db2.gz VFLVXQFEZMDWTL-QSPRXWTASA-N 2 1 278.440 2.432 20 0 CEADMP C[NH+](C)[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000515264734 379199896 /nfs/dbraw/zinc/19/98/96/379199896.db2.gz GMDPOAZPCAYRHB-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cncs1 ZINC000278868946 194189135 /nfs/dbraw/zinc/18/91/35/194189135.db2.gz BNRCELVSMJPWDY-QWRGUYRKSA-N 2 1 262.382 2.253 20 0 CEADMP CC[C@H](C(=O)N1CC[N@H+](CC)C[C@H]1CC)[NH+](CC)CC ZINC000456368160 379411224 /nfs/dbraw/zinc/41/12/24/379411224.db2.gz DVZHVTJSOHBBLU-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP CC[C@H](C(=O)N1CC[N@@H+](CC)C[C@H]1CC)[NH+](CC)CC ZINC000456368160 379411230 /nfs/dbraw/zinc/41/12/30/379411230.db2.gz DVZHVTJSOHBBLU-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCC(C)(C)CC2)CC1 ZINC000303858748 379499313 /nfs/dbraw/zinc/49/93/13/379499313.db2.gz GDBUFRFIPHQKAA-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCC(C)(C)CC2)CC1 ZINC000303858748 379499323 /nfs/dbraw/zinc/49/93/23/379499323.db2.gz GDBUFRFIPHQKAA-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCO)C1 ZINC000304010513 379511796 /nfs/dbraw/zinc/51/17/96/379511796.db2.gz MWEQIICVNLDWFU-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCO)C1 ZINC000304010513 379511804 /nfs/dbraw/zinc/51/18/04/379511804.db2.gz MWEQIICVNLDWFU-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCO)C1 ZINC000304010513 379511810 /nfs/dbraw/zinc/51/18/10/379511810.db2.gz MWEQIICVNLDWFU-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP OC[C@@H]1CCCN1C[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC000304902762 379601240 /nfs/dbraw/zinc/60/12/40/379601240.db2.gz UHOPLBOFRBPQQR-HOTGVXAUSA-N 2 1 266.429 2.098 20 0 CEADMP CN(C)c1cc(NC(=O)c2ccc3c(c2)C[NH2+]C3)cc[nH+]1 ZINC000347695088 218324736 /nfs/dbraw/zinc/32/47/36/218324736.db2.gz RUPZORPISBLSAA-UHFFFAOYSA-N 2 1 282.347 2.003 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000305132659 379652007 /nfs/dbraw/zinc/65/20/07/379652007.db2.gz NLMHLFRQVPNSLX-JOCBIADPSA-N 2 1 290.451 2.471 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000305148407 379660181 /nfs/dbraw/zinc/66/01/81/379660181.db2.gz SQHBXGYTDIMFFO-KGLIPLIRSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccs1 ZINC000305158622 379667010 /nfs/dbraw/zinc/66/70/10/379667010.db2.gz WKLILFGIODSBEC-ZIAGYGMSSA-N 2 1 282.453 2.492 20 0 CEADMP C[C@@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000267270012 190316531 /nfs/dbraw/zinc/31/65/31/190316531.db2.gz SECCUBYGKXENPR-XQQFMLRXSA-N 2 1 290.411 2.347 20 0 CEADMP C[C@@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000267270012 190316532 /nfs/dbraw/zinc/31/65/32/190316532.db2.gz SECCUBYGKXENPR-XQQFMLRXSA-N 2 1 290.411 2.347 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cnns2)CC1 ZINC000347733578 218339051 /nfs/dbraw/zinc/33/90/51/218339051.db2.gz GAMOFSFYVGHDJT-UHFFFAOYSA-N 2 1 282.457 2.482 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnns2)CC1 ZINC000347733578 218339052 /nfs/dbraw/zinc/33/90/52/218339052.db2.gz GAMOFSFYVGHDJT-UHFFFAOYSA-N 2 1 282.457 2.482 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000347751917 218346740 /nfs/dbraw/zinc/34/67/40/218346740.db2.gz QVABZRKVONISCP-UHFFFAOYSA-N 2 1 289.423 2.434 20 0 CEADMP CC[N@@H+](CCNC(=O)C1C[NH+](C2CCCCC2)C1)C(C)C ZINC000457564331 379840145 /nfs/dbraw/zinc/84/01/45/379840145.db2.gz BYPQHTOLZFFUMS-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H](n2cccn2)C(F)(F)F)CC[N@H+]1C ZINC000527927600 379849900 /nfs/dbraw/zinc/84/99/00/379849900.db2.gz BDDSGIXSMJVXRU-IJLUTSLNSA-N 2 1 290.333 2.059 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](n2cccn2)C(F)(F)F)CCN1C ZINC000527927600 379849903 /nfs/dbraw/zinc/84/99/03/379849903.db2.gz BDDSGIXSMJVXRU-IJLUTSLNSA-N 2 1 290.333 2.059 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](n2cccn2)C(F)(F)F)CC[N@@H+]1C ZINC000527927600 379849909 /nfs/dbraw/zinc/84/99/09/379849909.db2.gz BDDSGIXSMJVXRU-IJLUTSLNSA-N 2 1 290.333 2.059 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](n2cccn2)C(F)(F)F)CC[N@H+]1C ZINC000527927600 379849913 /nfs/dbraw/zinc/84/99/13/379849913.db2.gz BDDSGIXSMJVXRU-IJLUTSLNSA-N 2 1 290.333 2.059 20 0 CEADMP C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000527808815 379822093 /nfs/dbraw/zinc/82/20/93/379822093.db2.gz LPRRRWHYTKZTAD-DJIMGWMZSA-N 2 1 277.456 2.220 20 0 CEADMP C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527808815 379822097 /nfs/dbraw/zinc/82/20/97/379822097.db2.gz LPRRRWHYTKZTAD-DJIMGWMZSA-N 2 1 277.456 2.220 20 0 CEADMP C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000527808815 379822102 /nfs/dbraw/zinc/82/21/02/379822102.db2.gz LPRRRWHYTKZTAD-DJIMGWMZSA-N 2 1 277.456 2.220 20 0 CEADMP C[C@@H]1C[C@H]1C[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000488515444 380107424 /nfs/dbraw/zinc/10/74/24/380107424.db2.gz KYBBWWNSSJDJDC-NJAFHUGGSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[C@H]1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000488515444 380107429 /nfs/dbraw/zinc/10/74/29/380107429.db2.gz KYBBWWNSSJDJDC-NJAFHUGGSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[C@H]1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000488515444 380107435 /nfs/dbraw/zinc/10/74/35/380107435.db2.gz KYBBWWNSSJDJDC-NJAFHUGGSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[C@H]1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000488515444 380107440 /nfs/dbraw/zinc/10/74/40/380107440.db2.gz KYBBWWNSSJDJDC-NJAFHUGGSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[C@H]1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000488515444 380107447 /nfs/dbraw/zinc/10/74/47/380107447.db2.gz KYBBWWNSSJDJDC-NJAFHUGGSA-N 2 1 288.435 2.211 20 0 CEADMP CC(C)[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC[N@H+]1C ZINC000489342019 380177587 /nfs/dbraw/zinc/17/75/87/380177587.db2.gz VESGPDVWOOLXAP-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C[C@H](C)O1 ZINC000580401513 322314925 /nfs/dbraw/zinc/31/49/25/322314925.db2.gz HTKLZHNEZBFLGN-FZKCQIBNSA-N 2 1 284.444 2.033 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@]2(O)CCN(C)C2)c2ccsc2S1 ZINC000545868675 380392214 /nfs/dbraw/zinc/39/22/14/380392214.db2.gz XZGABSXIXNCVBY-VHRBIJSZSA-N 2 1 298.477 2.330 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCN(C)C2)cc1Cl ZINC000545866597 380392574 /nfs/dbraw/zinc/39/25/74/380392574.db2.gz DPWDBAOTLBIUES-IAQYHMDHSA-N 2 1 298.814 2.066 20 0 CEADMP C[N@@H+](CCC(=O)NCC1=CC[NH+](C)CC1)C1CCCCC1 ZINC000548065476 380483714 /nfs/dbraw/zinc/48/37/14/380483714.db2.gz BHOPAEBQGODGOO-UHFFFAOYSA-N 2 1 293.455 2.019 20 0 CEADMP C[NH+](CCC(=O)NCC1=CC[N@H+](C)CC1)C1CCCCC1 ZINC000548065476 380483722 /nfs/dbraw/zinc/48/37/22/380483722.db2.gz BHOPAEBQGODGOO-UHFFFAOYSA-N 2 1 293.455 2.019 20 0 CEADMP C[NH+](CCC(=O)NCC1=CC[N@@H+](C)CC1)C1CCCCC1 ZINC000548065476 380483732 /nfs/dbraw/zinc/48/37/32/380483732.db2.gz BHOPAEBQGODGOO-UHFFFAOYSA-N 2 1 293.455 2.019 20 0 CEADMP Cc1cc(NC(=O)CC[N@H+](C)C2CCCCC2)ccn1 ZINC000548716660 380550634 /nfs/dbraw/zinc/55/06/34/380550634.db2.gz OJSQPONVEYVPHP-UHFFFAOYSA-N 2 1 275.396 2.405 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000549042997 380588413 /nfs/dbraw/zinc/58/84/13/380588413.db2.gz RJCMIHQWXXBDMO-GVDBMIGSSA-N 2 1 279.472 2.182 20 0 CEADMP CC1=CC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000551992766 380672457 /nfs/dbraw/zinc/67/24/57/380672457.db2.gz MIFLDIQSOXDZJL-QGZVFWFLSA-N 2 1 279.472 2.348 20 0 CEADMP CCOc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000554888288 380799548 /nfs/dbraw/zinc/79/95/48/380799548.db2.gz BHEDVWPZGYXKDS-ZBFHGGJFSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000554888288 380799553 /nfs/dbraw/zinc/79/95/53/380799553.db2.gz BHEDVWPZGYXKDS-ZBFHGGJFSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000554888288 380799561 /nfs/dbraw/zinc/79/95/61/380799561.db2.gz BHEDVWPZGYXKDS-ZBFHGGJFSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000554888288 380799570 /nfs/dbraw/zinc/79/95/70/380799570.db2.gz BHEDVWPZGYXKDS-ZBFHGGJFSA-N 2 1 289.423 2.396 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3cccnc3o2)C1 ZINC000556149689 380875931 /nfs/dbraw/zinc/87/59/31/380875931.db2.gz VZVPNBYTKLEDMF-LBPRGKRZSA-N 2 1 259.353 2.259 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3cccnc3o2)C1 ZINC000556149689 380875941 /nfs/dbraw/zinc/87/59/41/380875941.db2.gz VZVPNBYTKLEDMF-LBPRGKRZSA-N 2 1 259.353 2.259 20 0 CEADMP C[N@@H+](CCCC[NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000556434611 380902071 /nfs/dbraw/zinc/90/20/71/380902071.db2.gz DLMMSLKVFMDYOW-UHFFFAOYSA-N 3 1 279.472 2.325 20 0 CEADMP C[N@H+](CCCC[NH2+]C1CCN(CC2CC2)CC1)C1CC1 ZINC000556434611 380902076 /nfs/dbraw/zinc/90/20/76/380902076.db2.gz DLMMSLKVFMDYOW-UHFFFAOYSA-N 2 1 279.472 2.325 20 0 CEADMP C[N@@H+](CCCC[NH2+]C1CCN(CC2CC2)CC1)C1CC1 ZINC000556434611 380902085 /nfs/dbraw/zinc/90/20/85/380902085.db2.gz DLMMSLKVFMDYOW-UHFFFAOYSA-N 2 1 279.472 2.325 20 0 CEADMP CO[C@@](C)([C@@H](C)[NH2+]CCCn1cc[nH+]c1C)C1CC1 ZINC000411968722 533004242 /nfs/dbraw/zinc/00/42/42/533004242.db2.gz KGMLAVKFKGIKAG-DOMZBBRYSA-N 2 1 265.401 2.375 20 0 CEADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000335293773 208122831 /nfs/dbraw/zinc/12/28/31/208122831.db2.gz OJDGPBNYTRWDTM-HNNXBMFYSA-N 2 1 276.428 2.190 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](OCC2CC2)C1 ZINC000368792951 220288801 /nfs/dbraw/zinc/28/88/01/220288801.db2.gz REVHSTVUINRFHY-CVEARBPZSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368792951 220288804 /nfs/dbraw/zinc/28/88/04/220288804.db2.gz REVHSTVUINRFHY-CVEARBPZSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368792951 220288807 /nfs/dbraw/zinc/28/88/07/220288807.db2.gz REVHSTVUINRFHY-CVEARBPZSA-N 2 1 266.429 2.362 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415034272 533128027 /nfs/dbraw/zinc/12/80/27/533128027.db2.gz CNHAQUJFDCYOIB-KBPBESRZSA-N 2 1 282.428 2.040 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2CN2CCCCC2)CC[NH2+]1 ZINC000414685906 297399842 /nfs/dbraw/zinc/39/98/42/297399842.db2.gz DZNNVFCYVJSPCM-BRWVUGGUSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000414716559 297399884 /nfs/dbraw/zinc/39/98/84/297399884.db2.gz WWYBILGDQZMMPL-BRWVUGGUSA-N 3 1 279.472 2.325 20 0 CEADMP CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000281569038 195291940 /nfs/dbraw/zinc/29/19/40/195291940.db2.gz DUSGSZRANKLSFG-PVAVHDDUSA-N 2 1 276.424 2.258 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)CC[C@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000355429520 394451838 /nfs/dbraw/zinc/45/18/38/394451838.db2.gz IPUHVTCRZRMWEE-HRCADAONSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1C[C@H](C)N(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1C ZINC000355429520 394451841 /nfs/dbraw/zinc/45/18/41/394451841.db2.gz IPUHVTCRZRMWEE-HRCADAONSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1C[C@H](C)N(C(=O)CC[C@H]2CCCC[N@H+]2C)C[C@@H]1C ZINC000355429520 394451845 /nfs/dbraw/zinc/45/18/45/394451845.db2.gz IPUHVTCRZRMWEE-HRCADAONSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000421372529 394514792 /nfs/dbraw/zinc/51/47/92/394514792.db2.gz DGARSMSJNZXZFV-ZIAGYGMSSA-N 2 1 263.385 2.195 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)C[NH2+]C)c2C1 ZINC000236789121 394487777 /nfs/dbraw/zinc/48/77/77/394487777.db2.gz LESVXXCPKXJBTG-LBPRGKRZSA-N 2 1 275.396 2.206 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)C[NH2+]C)c2C1 ZINC000236789121 394487780 /nfs/dbraw/zinc/48/77/80/394487780.db2.gz LESVXXCPKXJBTG-LBPRGKRZSA-N 2 1 275.396 2.206 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000305734318 394510393 /nfs/dbraw/zinc/51/03/93/394510393.db2.gz WJHAFRNNCFRIOT-BMGDILEWSA-N 2 1 288.435 2.308 20 0 CEADMP C[N@@H+](CCCN[C@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000249978783 394561541 /nfs/dbraw/zinc/56/15/41/394561541.db2.gz KHZJXEBYMHLYKW-HOCLYGCPSA-N 2 1 267.461 2.358 20 0 CEADMP C[N@H+](CCC[NH2+][C@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000249978783 394561544 /nfs/dbraw/zinc/56/15/44/394561544.db2.gz KHZJXEBYMHLYKW-HOCLYGCPSA-N 3 1 267.461 2.358 20 0 CEADMP C[N@@H+](CCC[NH2+][C@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000249978783 394561547 /nfs/dbraw/zinc/56/15/47/394561547.db2.gz KHZJXEBYMHLYKW-HOCLYGCPSA-N 3 1 267.461 2.358 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000251363114 394567634 /nfs/dbraw/zinc/56/76/34/394567634.db2.gz DQTWVUYRYCZOKM-SJORKVTESA-N 2 1 275.440 2.349 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000252711317 394574263 /nfs/dbraw/zinc/57/42/63/394574263.db2.gz JFGJSUZAXBDCCR-MGPQQGTHSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000252711317 394574265 /nfs/dbraw/zinc/57/42/65/394574265.db2.gz JFGJSUZAXBDCCR-MGPQQGTHSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCO1 ZINC000356666679 394582153 /nfs/dbraw/zinc/58/21/53/394582153.db2.gz ABFBKSNHGJKTFQ-NJVJYBDUSA-N 2 1 254.418 2.120 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]CC2(SC)CCC2)CC1 ZINC000356175398 394553933 /nfs/dbraw/zinc/55/39/33/394553933.db2.gz KHSJQDOURPGHJL-UHFFFAOYSA-N 2 1 299.528 2.279 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCO1 ZINC000421864395 394621036 /nfs/dbraw/zinc/62/10/36/394621036.db2.gz XRXCSZSZTJSRRZ-OXGONZEZSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335038778 394729705 /nfs/dbraw/zinc/72/97/05/394729705.db2.gz OWBZBCGVOHVBCW-XJKSGUPXSA-N 2 1 273.424 2.475 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516244 394748486 /nfs/dbraw/zinc/74/84/86/394748486.db2.gz JEYNQZAJPUTBIH-BZUAXINKSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516244 394748489 /nfs/dbraw/zinc/74/84/89/394748489.db2.gz JEYNQZAJPUTBIH-BZUAXINKSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1(C(=O)OC)CCC1 ZINC000414200634 394730002 /nfs/dbraw/zinc/73/00/02/394730002.db2.gz XNCFTOJGAJNUKI-GJZGRUSLSA-N 2 1 296.455 2.430 20 0 CEADMP CCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422709428 394731861 /nfs/dbraw/zinc/73/18/61/394731861.db2.gz DFWSZUNGBMGXBW-QWHCGFSZSA-N 2 1 278.444 2.230 20 0 CEADMP C[C@@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422712803 394734096 /nfs/dbraw/zinc/73/40/96/394734096.db2.gz OLBMKTPUYOWRKC-TUVASFSCSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000422713312 394734158 /nfs/dbraw/zinc/73/41/58/394734158.db2.gz JKBHADAXCDHMJZ-IIDMSEBBSA-N 2 1 287.451 2.021 20 0 CEADMP CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422712267 394734319 /nfs/dbraw/zinc/73/43/19/394734319.db2.gz IDBLTACLKZLDRZ-LBPRGKRZSA-N 2 1 298.390 2.346 20 0 CEADMP C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422713903 394734897 /nfs/dbraw/zinc/73/48/97/394734897.db2.gz KMZBCDPEUMIZQE-MPGHIAIKSA-N 2 1 287.451 2.163 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422717200 394737121 /nfs/dbraw/zinc/73/71/21/394737121.db2.gz VVSNTXYDSBSTJR-XHSDSOJGSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H]([NH2+]CC1CCSCC1)c1c[nH+]ccc1N ZINC000422726491 394742035 /nfs/dbraw/zinc/74/20/35/394742035.db2.gz DZWYPTCQTWPFLM-JTQLQIEISA-N 2 1 251.399 2.288 20 0 CEADMP C[C@H](NCC[N@@H+]1CCc2sccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422730372 394745625 /nfs/dbraw/zinc/74/56/25/394745625.db2.gz DPWVYKJQIIPEME-DZGCQCFKSA-N 2 1 293.480 2.226 20 0 CEADMP C[C@H](NCC[N@H+]1CCc2sccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422730372 394745627 /nfs/dbraw/zinc/74/56/27/394745627.db2.gz DPWVYKJQIIPEME-DZGCQCFKSA-N 2 1 293.480 2.226 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(C)c1 ZINC000414073834 394694661 /nfs/dbraw/zinc/69/46/61/394694661.db2.gz NOJYYZXAROHQMH-HUUCEWRRSA-N 2 1 292.423 2.111 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414077635 394696149 /nfs/dbraw/zinc/69/61/49/394696149.db2.gz RGQOQDCLWUBZSC-GFCCVEGCSA-N 2 1 273.384 2.075 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422737943 394749537 /nfs/dbraw/zinc/74/95/37/394749537.db2.gz YABPDBHAIWAJKW-XHSDSOJGSA-N 2 1 267.461 2.358 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422734137 394746522 /nfs/dbraw/zinc/74/65/22/394746522.db2.gz RZQPQBVNAOKXLP-KFWWJZLASA-N 2 1 255.450 2.227 20 0 CEADMP CC[C@@H]1CCCCN1CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422737943 394749540 /nfs/dbraw/zinc/74/95/40/394749540.db2.gz YABPDBHAIWAJKW-XHSDSOJGSA-N 2 1 267.461 2.358 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccsc2)[C@H](C)C1 ZINC000269051300 394710038 /nfs/dbraw/zinc/71/00/38/394710038.db2.gz XUEWQZGHDSMIRC-KWCYVHTRSA-N 2 1 268.426 2.101 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422564143 394713065 /nfs/dbraw/zinc/71/30/65/394713065.db2.gz VOBANILJKRGPFB-DYEKYZERSA-N 2 1 278.396 2.206 20 0 CEADMP COc1c(O)cccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422564143 394713066 /nfs/dbraw/zinc/71/30/66/394713066.db2.gz VOBANILJKRGPFB-DYEKYZERSA-N 2 1 278.396 2.206 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)(C)c1ccccc1 ZINC000358252033 394713163 /nfs/dbraw/zinc/71/31/63/394713163.db2.gz NJUFNWQGACOFCW-WMLDXEAASA-N 2 1 276.424 2.009 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000358252033 394713166 /nfs/dbraw/zinc/71/31/66/394713166.db2.gz NJUFNWQGACOFCW-WMLDXEAASA-N 2 1 276.424 2.009 20 0 CEADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(C)cc1 ZINC000358256699 394714153 /nfs/dbraw/zinc/71/41/53/394714153.db2.gz RHRJXRQPVBDKEC-HOTGVXAUSA-N 2 1 262.397 2.102 20 0 CEADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000358256699 394714157 /nfs/dbraw/zinc/71/41/57/394714157.db2.gz RHRJXRQPVBDKEC-HOTGVXAUSA-N 2 1 262.397 2.102 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422735490 394747390 /nfs/dbraw/zinc/74/73/90/394747390.db2.gz DWVCFENWIDGKLE-KBPBESRZSA-N 3 1 263.429 2.354 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)SC)[C@@H](C)C1 ZINC000358329877 394718174 /nfs/dbraw/zinc/71/81/74/394718174.db2.gz PSJZMPRJNNILNF-KKUMJFAQSA-N 2 1 288.501 2.465 20 0 CEADMP Brc1c[nH+]ccc1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334968798 394723227 /nfs/dbraw/zinc/72/32/27/394723227.db2.gz CWVLEERKRPSBNO-ZDUSSCGKSA-N 2 1 296.212 2.424 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000422698696 394725534 /nfs/dbraw/zinc/72/55/34/394725534.db2.gz ANWQPDFLITXXSW-AWEZNQCLSA-N 3 1 255.450 2.358 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000422698696 394725537 /nfs/dbraw/zinc/72/55/37/394725537.db2.gz ANWQPDFLITXXSW-AWEZNQCLSA-N 3 1 255.450 2.358 20 0 CEADMP C[NH+]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)[C@H]2CCC[C@H]21 ZINC000414194030 394727472 /nfs/dbraw/zinc/72/74/72/394727472.db2.gz UIIYEIMRJLARCU-QBPKDAKJSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000414194030 394727475 /nfs/dbraw/zinc/72/74/75/394727475.db2.gz UIIYEIMRJLARCU-QBPKDAKJSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000414194030 394727478 /nfs/dbraw/zinc/72/74/78/394727478.db2.gz UIIYEIMRJLARCU-QBPKDAKJSA-N 3 1 279.472 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)[C@H]2CCC[C@H]21 ZINC000414194030 394727479 /nfs/dbraw/zinc/72/74/79/394727479.db2.gz UIIYEIMRJLARCU-QBPKDAKJSA-N 2 1 279.472 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@H]2CCC[C@H]21 ZINC000414194030 394727481 /nfs/dbraw/zinc/72/74/81/394727481.db2.gz UIIYEIMRJLARCU-QBPKDAKJSA-N 2 1 279.472 2.181 20 0 CEADMP CCOC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414692714 394748353 /nfs/dbraw/zinc/74/83/53/394748353.db2.gz KWYOKFFDEJQZLE-RRFJBIMHSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000422740971 394751733 /nfs/dbraw/zinc/75/17/33/394751733.db2.gz OMUFHXVRBDJVBG-WBVHZDCISA-N 2 1 275.440 2.491 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C)C1 ZINC000414818208 394752507 /nfs/dbraw/zinc/75/25/07/394752507.db2.gz VBEIDZJMUJENSJ-GBJTYRQASA-N 2 1 284.444 2.461 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CCN(C3CCCCC3)CC2)CC[NH2+]1 ZINC000335248625 394752957 /nfs/dbraw/zinc/75/29/57/394752957.db2.gz LNCUCHXZLXDYBF-HZPDHXFCSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422742636 394753545 /nfs/dbraw/zinc/75/35/45/394753545.db2.gz SEWYVMQWQXRAKW-JMSVASOKSA-N 2 1 250.361 2.487 20 0 CEADMP Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1C ZINC000335254544 394753813 /nfs/dbraw/zinc/75/38/13/394753813.db2.gz YFCAALKLIXGWDQ-QGZVFWFLSA-N 2 1 288.435 2.491 20 0 CEADMP COc1cc(C[NH2+][C@@H](C[NH3+])CC(C)C)ccc1C ZINC000414830382 394757911 /nfs/dbraw/zinc/75/79/11/394757911.db2.gz AYJONDPLHAMTHE-CQSZACIVSA-N 2 1 250.386 2.467 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414830254 394758091 /nfs/dbraw/zinc/75/80/91/394758091.db2.gz AUFHMBPLDNOWNX-HNNXBMFYSA-N 2 1 272.396 2.335 20 0 CEADMP COc1cc2c(c(C[NH2+]C[C@@H]3CCC[NH2+]C3)c1)O[C@@H](C)C2 ZINC000414830553 394758932 /nfs/dbraw/zinc/75/89/32/394758932.db2.gz OTIYHDMZQLHLKB-QWHCGFSZSA-N 2 1 290.407 2.108 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422755315 394761941 /nfs/dbraw/zinc/76/19/41/394761941.db2.gz BBZDFXKICBDULP-WFASDCNBSA-N 2 1 262.372 2.445 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000422759848 394764217 /nfs/dbraw/zinc/76/42/17/394764217.db2.gz KGCOMPIYCDHWMB-STQMWFEESA-N 2 1 258.369 2.088 20 0 CEADMP C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422761590 394765446 /nfs/dbraw/zinc/76/54/46/394765446.db2.gz MYLXDRYAHQTFFP-UNEWFSDZSA-N 2 1 294.414 2.097 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H]2CCC[NH2+]2)C1 ZINC000414844615 394766637 /nfs/dbraw/zinc/76/66/37/394766637.db2.gz LAFLQDMKENVXDQ-HYVNUMGLSA-N 2 1 273.424 2.164 20 0 CEADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(C)c1 ZINC000414849939 394769650 /nfs/dbraw/zinc/76/96/50/394769650.db2.gz RRUJFNKFUKALIC-LSDHHAIUSA-N 2 1 289.423 2.362 20 0 CEADMP C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422768840 394770823 /nfs/dbraw/zinc/77/08/23/394770823.db2.gz OEKBXXRSNMUARU-XHSDSOJGSA-N 2 1 267.461 2.371 20 0 CEADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCC2 ZINC000335488851 394770832 /nfs/dbraw/zinc/77/08/32/394770832.db2.gz QHUKHMRMDWXWDK-HOCLYGCPSA-N 2 1 278.371 2.171 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000422772803 394774761 /nfs/dbraw/zinc/77/47/61/394774761.db2.gz ZPRORLCDFIMQBV-KBPBESRZSA-N 2 1 257.466 2.460 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000414858487 394775080 /nfs/dbraw/zinc/77/50/80/394775080.db2.gz JQLHXJOKQNHKFA-UHFFFAOYSA-N 2 1 262.275 2.126 20 0 CEADMP C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000414860855 394775640 /nfs/dbraw/zinc/77/56/40/394775640.db2.gz WAQSVPQTBQLCQC-TZMCWYRMSA-N 2 1 264.417 2.116 20 0 CEADMP CCOC(=O)N(C)C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000120494145 394779757 /nfs/dbraw/zinc/77/97/57/394779757.db2.gz SDZJCXOAQIEZPE-AWEZNQCLSA-N 2 1 297.443 2.023 20 0 CEADMP CCC[NH2+]CC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414869230 394779762 /nfs/dbraw/zinc/77/97/62/394779762.db2.gz LDKWDXYFFCSAKF-UHFFFAOYSA-N 2 1 262.397 2.143 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccs2)CCCO1 ZINC000277692014 394823845 /nfs/dbraw/zinc/82/38/45/394823845.db2.gz HLKOJQFLEDYGNB-CYBMUJFWSA-N 2 1 268.426 2.339 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000414874018 394782059 /nfs/dbraw/zinc/78/20/59/394782059.db2.gz AJWOWJNPXYXMLD-UHFFFAOYSA-N 2 1 270.380 2.356 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccs2)CCCO1 ZINC000277692014 394823849 /nfs/dbraw/zinc/82/38/49/394823849.db2.gz HLKOJQFLEDYGNB-CYBMUJFWSA-N 2 1 268.426 2.339 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000335640911 394784608 /nfs/dbraw/zinc/78/46/08/394784608.db2.gz DWTRSMVXMNPAPQ-GYXIZQIFSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])N1CCC(C)CC1 ZINC000422786807 394784925 /nfs/dbraw/zinc/78/49/25/394784925.db2.gz QWROSVCMIFUBHH-PMPSAXMXSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@H](CC[NH3+])NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414883023 394786916 /nfs/dbraw/zinc/78/69/16/394786916.db2.gz MNXJRHDGOMOHJK-OAHLLOKOSA-N 2 1 277.456 2.472 20 0 CEADMP C[C@H](CC[NH3+])[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414883023 394786920 /nfs/dbraw/zinc/78/69/20/394786920.db2.gz MNXJRHDGOMOHJK-OAHLLOKOSA-N 3 1 277.456 2.472 20 0 CEADMP C[C@H](CC[NH3+])[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414883023 394786921 /nfs/dbraw/zinc/78/69/21/394786921.db2.gz MNXJRHDGOMOHJK-OAHLLOKOSA-N 3 1 277.456 2.472 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422792096 394789086 /nfs/dbraw/zinc/78/90/86/394789086.db2.gz WYLAYJDSCXVSNI-JKSUJKDBSA-N 3 1 267.461 2.086 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000414892013 394791259 /nfs/dbraw/zinc/79/12/59/394791259.db2.gz IUAMYBSPGFCIRJ-GFCCVEGCSA-N 2 1 274.286 2.412 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000422843586 394824687 /nfs/dbraw/zinc/82/46/87/394824687.db2.gz IVHKJDCSBSOOED-CABCVRRESA-N 2 1 297.512 2.065 20 0 CEADMP C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000422801224 394796718 /nfs/dbraw/zinc/79/67/18/394796718.db2.gz BKZOCBYIPMTQPC-CRAIPNDOSA-N 2 1 287.451 2.165 20 0 CEADMP C[NH+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422803092 394798154 /nfs/dbraw/zinc/79/81/54/394798154.db2.gz FJIPQLICWHRZPC-SJPCQFCGSA-N 2 1 273.424 2.121 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+][C@H](c1nccn1C)c1ccccc1F ZINC000422806016 394799656 /nfs/dbraw/zinc/79/96/56/394799656.db2.gz HPGIGCDIBIFTFO-WFASDCNBSA-N 2 1 290.386 2.366 20 0 CEADMP c1ccc(CN2CCC([NH2+]CC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000414908439 394799820 /nfs/dbraw/zinc/79/98/20/394799820.db2.gz RVANMLCYCMANLK-QGZVFWFLSA-N 2 1 287.451 2.383 20 0 CEADMP COCc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422808572 394801963 /nfs/dbraw/zinc/80/19/63/394801963.db2.gz OLTVDNHCZIJXNA-LBPRGKRZSA-N 2 1 271.364 2.491 20 0 CEADMP C[C@]1(C[NH2+]Cc2cncc(Br)c2)CCC[NH2+]C1 ZINC000414918936 394803425 /nfs/dbraw/zinc/80/34/25/394803425.db2.gz VOZYKZBQBJKWGB-ZDUSSCGKSA-N 2 1 298.228 2.323 20 0 CEADMP C[C@@H]1CC[C@@H](CN2CCC3(CCC[N@H+]3C)CC2)O1 ZINC000335866201 394806425 /nfs/dbraw/zinc/80/64/25/394806425.db2.gz SFCQZIDJIJABEM-KGLIPLIRSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH+]2CCC3(CCC[N@@H+]3C)CC2)O1 ZINC000335866201 394806429 /nfs/dbraw/zinc/80/64/29/394806429.db2.gz SFCQZIDJIJABEM-KGLIPLIRSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH+]2CCC3(CCC[N@H+]3C)CC2)O1 ZINC000335866201 394806433 /nfs/dbraw/zinc/80/64/33/394806433.db2.gz SFCQZIDJIJABEM-KGLIPLIRSA-N 2 1 252.402 2.114 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCC(C)(C)c3ccccc32)C1 ZINC000360881958 394810381 /nfs/dbraw/zinc/81/03/81/394810381.db2.gz DQEVKFRHGMMMHC-FUHWJXTLSA-N 2 1 288.435 2.455 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCC(C)(C)c3ccccc32)C1 ZINC000360881958 394810385 /nfs/dbraw/zinc/81/03/85/394810385.db2.gz DQEVKFRHGMMMHC-FUHWJXTLSA-N 2 1 288.435 2.455 20 0 CEADMP CC(C)=CCC[C@H](C)CC[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000361007916 394812628 /nfs/dbraw/zinc/81/26/28/394812628.db2.gz IZRPLGPFRGCNGW-JKSUJKDBSA-N 2 1 268.445 2.415 20 0 CEADMP CC(C)=CCC[C@H](C)CC[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000361007916 394812632 /nfs/dbraw/zinc/81/26/32/394812632.db2.gz IZRPLGPFRGCNGW-JKSUJKDBSA-N 2 1 268.445 2.415 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422844686 394825757 /nfs/dbraw/zinc/82/57/57/394825757.db2.gz MRZCIMOLIWDWDC-NVXWUHKLSA-N 2 1 288.435 2.322 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414941466 394814258 /nfs/dbraw/zinc/81/42/58/394814258.db2.gz CQTFNGDPAHUBCY-WFASDCNBSA-N 2 1 299.422 2.114 20 0 CEADMP CCN(CC)c1ncc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414945226 394816348 /nfs/dbraw/zinc/81/63/48/394816348.db2.gz ICASHNNHJGWQEC-RYUDHWBXSA-N 2 1 282.457 2.219 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414716585 394749842 /nfs/dbraw/zinc/74/98/42/394749842.db2.gz XAXCYMKHYOUZQW-XHSDSOJGSA-N 2 1 295.471 2.084 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000414699734 394749979 /nfs/dbraw/zinc/74/99/79/394749979.db2.gz SAUJFLQPYHNPNO-LSDHHAIUSA-N 2 1 297.487 2.234 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000414699734 394749982 /nfs/dbraw/zinc/74/99/82/394749982.db2.gz SAUJFLQPYHNPNO-LSDHHAIUSA-N 2 1 297.487 2.234 20 0 CEADMP CCCCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415047239 394862915 /nfs/dbraw/zinc/86/29/15/394862915.db2.gz VWHBZIYTSUUNPX-KRWDZBQOSA-N 2 1 292.423 2.334 20 0 CEADMP C[N@@H+](Cc1ccc(-c2ccccc2F)s1)C[C@H](O)C[NH3+] ZINC000415053504 394865956 /nfs/dbraw/zinc/86/59/56/394865956.db2.gz KDDGHDWGUXBHGD-LLVKDONJSA-N 2 1 294.395 2.306 20 0 CEADMP C[N@H+](Cc1ccc(-c2ccccc2F)s1)C[C@H](O)C[NH3+] ZINC000415053504 394865961 /nfs/dbraw/zinc/86/59/61/394865961.db2.gz KDDGHDWGUXBHGD-LLVKDONJSA-N 2 1 294.395 2.306 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000423025944 394884938 /nfs/dbraw/zinc/88/49/38/394884938.db2.gz AHCVUSAEGXOLKI-WCVJEAGWSA-N 2 1 267.461 2.370 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCN(C)[C@@H]1C ZINC000423025944 394884942 /nfs/dbraw/zinc/88/49/42/394884942.db2.gz AHCVUSAEGXOLKI-WCVJEAGWSA-N 2 1 267.461 2.370 20 0 CEADMP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422944104 394867354 /nfs/dbraw/zinc/86/73/54/394867354.db2.gz ROMFFCSYRDALPO-HZPDHXFCSA-N 2 1 289.423 2.186 20 0 CEADMP C[N@@H+](CCCc1c(Cl)cccc1Cl)C[C@H](O)C[NH3+] ZINC000415064810 394870673 /nfs/dbraw/zinc/87/06/73/394870673.db2.gz DQRJMKPNEIRAGB-SNVBAGLBSA-N 2 1 291.222 2.177 20 0 CEADMP Cc1ccn2c(C[NH2+][C@@H](C[NH3+])C3CCCC3)cnc2c1 ZINC000415064440 394870972 /nfs/dbraw/zinc/87/09/72/394870972.db2.gz KQKUCBZHSVPBPJ-HNNXBMFYSA-N 2 1 272.396 2.250 20 0 CEADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCOCC1 ZINC000336796027 394872106 /nfs/dbraw/zinc/87/21/06/394872106.db2.gz OWTKTSYFXJJJEY-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422991235 394876535 /nfs/dbraw/zinc/87/65/35/394876535.db2.gz AMHQCDFUNMWTGV-RBSFLKMASA-N 3 1 255.450 2.212 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000130096365 394881309 /nfs/dbraw/zinc/88/13/09/394881309.db2.gz NZSXCMMTKWSBNG-INIZCTEOSA-N 2 1 297.487 2.297 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423012129 394881549 /nfs/dbraw/zinc/88/15/49/394881549.db2.gz JZLBINRWWTUJFS-PQEBFOHHSA-N 2 1 273.424 2.162 20 0 CEADMP Cn1nccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415084588 394882007 /nfs/dbraw/zinc/88/20/07/394882007.db2.gz OWUTXDLXCZUCAY-ZBFHGGJFSA-N 2 1 270.380 2.003 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)N(C)CC)CC1 ZINC000130181639 394882380 /nfs/dbraw/zinc/88/23/80/394882380.db2.gz QNVRUSNXFAOYHO-UHFFFAOYSA-N 2 1 297.487 2.299 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000422847285 394826531 /nfs/dbraw/zinc/82/65/31/394826531.db2.gz RBXSGWMPLUFPKC-JKSUJKDBSA-N 2 1 289.467 2.409 20 0 CEADMP CCC[C@@H](C[NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000414963055 394828254 /nfs/dbraw/zinc/82/82/54/394828254.db2.gz KNBHEEJUNZUPMJ-IRXDYDNUSA-N 2 1 275.440 2.064 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414967879 394830801 /nfs/dbraw/zinc/83/08/01/394830801.db2.gz HXGRCWNAXRTLMV-INIZCTEOSA-N 2 1 299.422 2.198 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422857419 394832306 /nfs/dbraw/zinc/83/23/06/394832306.db2.gz HMVLKQZFIFFYHS-QBPKDAKJSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422857419 394832310 /nfs/dbraw/zinc/83/23/10/394832310.db2.gz HMVLKQZFIFFYHS-QBPKDAKJSA-N 2 1 279.472 2.371 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000414974239 394832888 /nfs/dbraw/zinc/83/28/88/394832888.db2.gz DFLIHBVJOIJZFO-AWEZNQCLSA-N 2 1 258.369 2.212 20 0 CEADMP CC[C@H]([NH3+])CN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414977321 394833422 /nfs/dbraw/zinc/83/34/22/394833422.db2.gz JPCXJFPCQRCLLY-VNQPRFMTSA-N 2 1 261.413 2.149 20 0 CEADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCCCC2)C[N@@H+]1C1CC1 ZINC000124002204 394834982 /nfs/dbraw/zinc/83/49/82/394834982.db2.gz XQUMKQOTCAKOFT-HUUCEWRRSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCCCC2)C[N@H+]1C1CC1 ZINC000124002204 394834986 /nfs/dbraw/zinc/83/49/86/394834986.db2.gz XQUMKQOTCAKOFT-HUUCEWRRSA-N 2 1 265.445 2.077 20 0 CEADMP CC[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414996908 394841619 /nfs/dbraw/zinc/84/16/19/394841619.db2.gz YLHJOUPHSDLCBP-BHYGNILZSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H](N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422873252 394841848 /nfs/dbraw/zinc/84/18/48/394841848.db2.gz KRFDVEOTPKCVGI-UOVPBQLFSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000415007788 394846240 /nfs/dbraw/zinc/84/62/40/394846240.db2.gz DEXVNMGWEVITTE-RZLSGREXSA-N 2 1 261.413 2.147 20 0 CEADMP CC[N@@H+](CCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])C(C)C ZINC000422882782 394847851 /nfs/dbraw/zinc/84/78/51/394847851.db2.gz TYPMHJCHDSADHV-NVXWUHKLSA-N 2 1 277.456 2.265 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422882632 394848068 /nfs/dbraw/zinc/84/80/68/394848068.db2.gz PIAWPPIMUCMPGP-TWMKSMIVSA-N 3 1 281.488 2.462 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422883843 394848196 /nfs/dbraw/zinc/84/81/96/394848196.db2.gz VSFSPEUQMVMNHQ-AQPDWMJNSA-N 2 1 279.472 2.225 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000415012278 394848388 /nfs/dbraw/zinc/84/83/88/394848388.db2.gz SDARRAQJXLPPRG-RKDXNWHRSA-N 2 1 262.275 2.411 20 0 CEADMP CC(C)([NH3+])C[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000415020893 394851403 /nfs/dbraw/zinc/85/14/03/394851403.db2.gz AEYKYKBDCKEHKZ-GFCCVEGCSA-N 2 1 263.385 2.198 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423025812 394883993 /nfs/dbraw/zinc/88/39/93/394883993.db2.gz ACBIBFORWMHDLC-DJIMGWMZSA-N 2 1 276.424 2.100 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422897131 394855200 /nfs/dbraw/zinc/85/52/00/394855200.db2.gz JCDZIOKTEJKNCF-WFASDCNBSA-N 2 1 262.372 2.445 20 0 CEADMP c1cc(C2CC2)ccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415036751 394857904 /nfs/dbraw/zinc/85/79/04/394857904.db2.gz KEKWTNMNPZVVRW-INIZCTEOSA-N 2 1 260.381 2.032 20 0 CEADMP COc1ccc(COCCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422910054 394859839 /nfs/dbraw/zinc/85/98/39/394859839.db2.gz POQKMAKYJRDVAJ-WMLDXEAASA-N 2 1 292.423 2.190 20 0 CEADMP FC(F)Oc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC000415041895 394860653 /nfs/dbraw/zinc/86/06/53/394860653.db2.gz RXKWSLUZYPIGBO-GDGBQDQQSA-N 2 1 288.725 2.249 20 0 CEADMP Cc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)s1 ZINC000415044818 394861632 /nfs/dbraw/zinc/86/16/32/394861632.db2.gz BEKSJOMRQVYSFK-UHFFFAOYSA-N 2 1 293.480 2.363 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000423197609 394887911 /nfs/dbraw/zinc/88/79/11/394887911.db2.gz ABIYPOCLNRWAAV-ZDUSSCGKSA-N 2 1 258.369 2.132 20 0 CEADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000415097373 394889429 /nfs/dbraw/zinc/88/94/29/394889429.db2.gz DAKWKHHVRNXNCB-LSDHHAIUSA-N 2 1 250.361 2.344 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H]3CC[NH2+]C3)c2C1 ZINC000130609996 394891794 /nfs/dbraw/zinc/89/17/94/394891794.db2.gz XJWHFUHVWKMEIJ-CYBMUJFWSA-N 2 1 287.407 2.350 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H]3CC[NH2+]C3)c2C1 ZINC000130609996 394891798 /nfs/dbraw/zinc/89/17/98/394891798.db2.gz XJWHFUHVWKMEIJ-CYBMUJFWSA-N 2 1 287.407 2.350 20 0 CEADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000415108975 394892377 /nfs/dbraw/zinc/89/23/77/394892377.db2.gz LILMHUQKEMHYCW-UHIISALHSA-N 2 1 251.349 2.402 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H]3CCC[C@@H]32)CC1 ZINC000337437509 394893492 /nfs/dbraw/zinc/89/34/92/394893492.db2.gz XXPFGZQEJSUGDR-IRXDYDNUSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000423345751 394894519 /nfs/dbraw/zinc/89/45/19/394894519.db2.gz YZLLMVUMGBZDFH-KGLIPLIRSA-N 2 1 289.423 2.311 20 0 CEADMP CC1CCC(O)(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CC1 ZINC000130770009 394895179 /nfs/dbraw/zinc/89/51/79/394895179.db2.gz GTZGHBXWMYLRKZ-PCKAHOCUSA-N 2 1 268.445 2.201 20 0 CEADMP CC1CCC(O)(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000130770009 394895180 /nfs/dbraw/zinc/89/51/80/394895180.db2.gz GTZGHBXWMYLRKZ-PCKAHOCUSA-N 2 1 268.445 2.201 20 0 CEADMP CC1CCC(O)(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000130770009 394895181 /nfs/dbraw/zinc/89/51/81/394895181.db2.gz GTZGHBXWMYLRKZ-PCKAHOCUSA-N 2 1 268.445 2.201 20 0 CEADMP C[C@@H](NCC(F)(F)C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423348828 394895777 /nfs/dbraw/zinc/89/57/77/394895777.db2.gz VGQDDDWUZUGQCN-HIFRSBDPSA-N 2 1 297.393 2.081 20 0 CEADMP C[C@@H](NCC(F)(F)C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423348828 394895779 /nfs/dbraw/zinc/89/57/79/394895779.db2.gz VGQDDDWUZUGQCN-HIFRSBDPSA-N 2 1 297.393 2.081 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+](C)CCC[NH2+]C ZINC000415130264 394899827 /nfs/dbraw/zinc/89/98/27/394899827.db2.gz WPZZWGVCKBOHHQ-UHFFFAOYSA-N 2 1 250.386 2.299 20 0 CEADMP CCc1cc(OC)ccc1C[N@@H+](C)CCC[NH2+]C ZINC000415130264 394899833 /nfs/dbraw/zinc/89/98/33/394899833.db2.gz WPZZWGVCKBOHHQ-UHFFFAOYSA-N 2 1 250.386 2.299 20 0 CEADMP COc1ccc(OC)c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000423356723 394900168 /nfs/dbraw/zinc/90/01/68/394900168.db2.gz HGOZUCOVZSICSN-QWHCGFSZSA-N 2 1 278.396 2.497 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423359186 394900282 /nfs/dbraw/zinc/90/02/82/394900282.db2.gz CVBGAIOOWVOPRT-AEGPPILISA-N 2 1 262.397 2.307 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000423367008 394902115 /nfs/dbraw/zinc/90/21/15/394902115.db2.gz YCDUPLQEERNFAS-LSDHHAIUSA-N 2 1 295.471 2.001 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000415139960 394902145 /nfs/dbraw/zinc/90/21/45/394902145.db2.gz YGOCHXSOWCMMOP-UHFFFAOYSA-N 2 1 286.803 2.399 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000415139960 394902150 /nfs/dbraw/zinc/90/21/50/394902150.db2.gz YGOCHXSOWCMMOP-UHFFFAOYSA-N 2 1 286.803 2.399 20 0 CEADMP COCCc1nc(C)c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)s1 ZINC000423364666 394902223 /nfs/dbraw/zinc/90/22/23/394902223.db2.gz OWSMSZIQGZVYGU-WCQYABFASA-N 2 1 297.468 2.433 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cn1 ZINC000423375101 394905904 /nfs/dbraw/zinc/90/59/04/394905904.db2.gz XKNLJRDVFBODGG-TZMCWYRMSA-N 2 1 250.390 2.257 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000423378243 394907916 /nfs/dbraw/zinc/90/79/16/394907916.db2.gz WILQCQDXJMVHSY-UFBFGSQYSA-N 2 1 269.186 2.373 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)[C@H]1C ZINC000423385896 394909299 /nfs/dbraw/zinc/90/92/99/394909299.db2.gz KZGBUTPYYVVAKO-AJNGGQMLSA-N 2 1 296.455 2.332 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000423386983 394909468 /nfs/dbraw/zinc/90/94/68/394909468.db2.gz SFVQEMLUJFVUFK-MLGOLLRUSA-N 2 1 287.407 2.015 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000364609232 394913372 /nfs/dbraw/zinc/91/33/72/394913372.db2.gz JATYWLWYMBMICI-UHFFFAOYSA-N 2 1 266.429 2.365 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@H+]1CCOCC2(CCC2)C1 ZINC000364609232 394913388 /nfs/dbraw/zinc/91/33/88/394913388.db2.gz JATYWLWYMBMICI-UHFFFAOYSA-N 2 1 266.429 2.365 20 0 CEADMP COCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000423452773 394924194 /nfs/dbraw/zinc/92/41/94/394924194.db2.gz WWORUSFRJUFVNG-AVGNSLFASA-N 2 1 266.385 2.098 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCCN1 ZINC000423461771 394926323 /nfs/dbraw/zinc/92/63/23/394926323.db2.gz CRILOCORIPEUNK-KBXIAJHMSA-N 2 1 253.434 2.014 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCCN1 ZINC000423461774 394926337 /nfs/dbraw/zinc/92/63/37/394926337.db2.gz CRILOCORIPEUNK-QPSCCSFWSA-N 2 1 253.434 2.014 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423479518 394928937 /nfs/dbraw/zinc/92/89/37/394928937.db2.gz VPDPOJPJAODIEB-JQWIXIFHSA-N 2 1 275.396 2.304 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)[C@@H]1C ZINC000423497893 394936340 /nfs/dbraw/zinc/93/63/40/394936340.db2.gz HOJBGOHBHFRTPJ-UNQGMJICSA-N 2 1 282.428 2.071 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000366160685 394938959 /nfs/dbraw/zinc/93/89/59/394938959.db2.gz AGQKDTNJLCTOOQ-BRSBDYLESA-N 2 1 291.483 2.277 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000366160685 394938962 /nfs/dbraw/zinc/93/89/62/394938962.db2.gz AGQKDTNJLCTOOQ-BRSBDYLESA-N 2 1 291.483 2.277 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000366160685 394938963 /nfs/dbraw/zinc/93/89/63/394938963.db2.gz AGQKDTNJLCTOOQ-BRSBDYLESA-N 2 1 291.483 2.277 20 0 CEADMP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423505717 394939436 /nfs/dbraw/zinc/93/94/36/394939436.db2.gz HNVVJGZXYSUDMI-UIJHXXCUSA-N 2 1 291.483 2.371 20 0 CEADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423506588 394940445 /nfs/dbraw/zinc/94/04/45/394940445.db2.gz HFHPPDJQEPXRIM-VXGBXAGGSA-N 2 1 254.399 2.086 20 0 CEADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000423509752 394941584 /nfs/dbraw/zinc/94/15/84/394941584.db2.gz JDFLDHLMZPJFHK-LSDHHAIUSA-N 2 1 262.397 2.333 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423509532 394941878 /nfs/dbraw/zinc/94/18/78/394941878.db2.gz RMZLGHHUKZVQAP-ZNMIVQPWSA-N 2 1 254.418 2.299 20 0 CEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(-n2cncn2)cc1 ZINC000423535766 394947678 /nfs/dbraw/zinc/94/76/78/394947678.db2.gz YEYJKJGJLHVYNA-SUMWQHHRSA-N 2 1 299.422 2.435 20 0 CEADMP C[N@H+]1Cc2ccccc2[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000366699757 394951935 /nfs/dbraw/zinc/95/19/35/394951935.db2.gz VTSYXXVOQAPNEP-LZLYRXPVSA-N 2 1 285.435 2.390 20 0 CEADMP C[N@@H+]1Cc2ccccc2[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000366699757 394951939 /nfs/dbraw/zinc/95/19/39/394951939.db2.gz VTSYXXVOQAPNEP-LZLYRXPVSA-N 2 1 285.435 2.390 20 0 CEADMP C[NH+]1Cc2ccccc2[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000366699757 394951943 /nfs/dbraw/zinc/95/19/43/394951943.db2.gz VTSYXXVOQAPNEP-LZLYRXPVSA-N 2 1 285.435 2.390 20 0 CEADMP C[NH+]1Cc2ccccc2[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000366699757 394951948 /nfs/dbraw/zinc/95/19/48/394951948.db2.gz VTSYXXVOQAPNEP-LZLYRXPVSA-N 2 1 285.435 2.390 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CC12CCSCC2 ZINC000423564753 394952889 /nfs/dbraw/zinc/95/28/89/394952889.db2.gz YEETZDTWSWHUCG-AGIUHOORSA-N 2 1 254.443 2.107 20 0 CEADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340246853 394981531 /nfs/dbraw/zinc/98/15/31/394981531.db2.gz XZZCBNHSTDDBOV-IXDOHACOSA-N 2 1 276.424 2.428 20 0 CEADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340246853 394981535 /nfs/dbraw/zinc/98/15/35/394981535.db2.gz XZZCBNHSTDDBOV-IXDOHACOSA-N 2 1 276.424 2.428 20 0 CEADMP COC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)OC ZINC000340350560 394983911 /nfs/dbraw/zinc/98/39/11/394983911.db2.gz OJRITGLWLREFIH-YESZJQIVSA-N 2 1 292.423 2.073 20 0 CEADMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)OC ZINC000340350560 394983914 /nfs/dbraw/zinc/98/39/14/394983914.db2.gz OJRITGLWLREFIH-YESZJQIVSA-N 2 1 292.423 2.073 20 0 CEADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000152076225 394985828 /nfs/dbraw/zinc/98/58/28/394985828.db2.gz CGPQIWGYVCJUIN-WDMOLILDSA-N 2 1 265.401 2.295 20 0 CEADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152076225 394985830 /nfs/dbraw/zinc/98/58/30/394985830.db2.gz CGPQIWGYVCJUIN-WDMOLILDSA-N 2 1 265.401 2.295 20 0 CEADMP Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000152076001 394986353 /nfs/dbraw/zinc/98/63/53/394986353.db2.gz CGPQIWGYVCJUIN-JTNHKYCSSA-N 2 1 265.401 2.295 20 0 CEADMP Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152076001 394986357 /nfs/dbraw/zinc/98/63/57/394986357.db2.gz CGPQIWGYVCJUIN-JTNHKYCSSA-N 2 1 265.401 2.295 20 0 CEADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415953826 394987036 /nfs/dbraw/zinc/98/70/36/394987036.db2.gz HMKJXLDUBVSWHU-HNNXBMFYSA-N 2 1 290.411 2.093 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c3OCCO4)C[C@H]21 ZINC000342084499 395009675 /nfs/dbraw/zinc/00/96/75/395009675.db2.gz LLLWHSZKROUSLR-NWANDNLSSA-N 2 1 288.391 2.017 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342043463 395009833 /nfs/dbraw/zinc/00/98/33/395009833.db2.gz GTJHORSIAHYDFP-KFWWJZLASA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342043463 395009838 /nfs/dbraw/zinc/00/98/38/395009838.db2.gz GTJHORSIAHYDFP-KFWWJZLASA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342043463 395009839 /nfs/dbraw/zinc/00/98/39/395009839.db2.gz GTJHORSIAHYDFP-KFWWJZLASA-N 2 1 252.402 2.114 20 0 CEADMP CC(C)[C@]1(CO)CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000339710268 394968470 /nfs/dbraw/zinc/96/84/70/394968470.db2.gz IBEKSSUXHYAWLE-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)[C@]1(CO)CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000339710268 394968472 /nfs/dbraw/zinc/96/84/72/394968472.db2.gz IBEKSSUXHYAWLE-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)[C@]1(CO)CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000339710268 394968477 /nfs/dbraw/zinc/96/84/77/394968477.db2.gz IBEKSSUXHYAWLE-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP CSC1(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000368021301 394975401 /nfs/dbraw/zinc/97/54/01/394975401.db2.gz YMHALYCFDVUOMB-RDBSUJKOSA-N 2 1 266.454 2.298 20 0 CEADMP CSC1(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000368021301 394975408 /nfs/dbraw/zinc/97/54/08/394975408.db2.gz YMHALYCFDVUOMB-RDBSUJKOSA-N 2 1 266.454 2.298 20 0 CEADMP CSC1(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000368021301 394975410 /nfs/dbraw/zinc/97/54/10/394975410.db2.gz YMHALYCFDVUOMB-RDBSUJKOSA-N 2 1 266.454 2.298 20 0 CEADMP CC[C@H](C[NH2+][C@@H](C)C1CCOCC1)[NH+]1CCCC1 ZINC000151719664 394978266 /nfs/dbraw/zinc/97/82/66/394978266.db2.gz JONSIWHEIDDOQL-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP COc1ccc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000436229569 395100508 /nfs/dbraw/zinc/10/05/08/395100508.db2.gz FCWRSMHAEQQDLA-HNNXBMFYSA-N 2 1 277.412 2.300 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000436229569 395100510 /nfs/dbraw/zinc/10/05/10/395100510.db2.gz FCWRSMHAEQQDLA-HNNXBMFYSA-N 2 1 277.412 2.300 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000436229569 395100512 /nfs/dbraw/zinc/10/05/12/395100512.db2.gz FCWRSMHAEQQDLA-HNNXBMFYSA-N 2 1 277.412 2.300 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000161581320 395064494 /nfs/dbraw/zinc/06/44/94/395064494.db2.gz ZFCNMUZMEWFBDB-DLBZAZTESA-N 2 1 279.472 2.421 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21)C[NH+](C)C ZINC000425944575 395071327 /nfs/dbraw/zinc/07/13/27/395071327.db2.gz XTLVXKGOCIBWKT-BXUZGUMPSA-N 2 1 293.386 2.386 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC1(O)CCCC1 ZINC000162635340 395077864 /nfs/dbraw/zinc/07/78/64/395077864.db2.gz HZPPDEFWRWEJLI-UHFFFAOYSA-N 2 1 265.401 2.209 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC1(O)CCCC1 ZINC000162635340 395077866 /nfs/dbraw/zinc/07/78/66/395077866.db2.gz HZPPDEFWRWEJLI-UHFFFAOYSA-N 2 1 265.401 2.209 20 0 CEADMP c1cc(C2CC[NH+](CCC[NH+]3CCCC3)CC2)n[nH]1 ZINC000163092584 395080244 /nfs/dbraw/zinc/08/02/44/395080244.db2.gz AIZLDUPRVCSPMC-UHFFFAOYSA-N 2 1 262.401 2.075 20 0 CEADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000372064544 395034165 /nfs/dbraw/zinc/03/41/65/395034165.db2.gz FYFWKPBZPVTJAS-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000372064544 395034166 /nfs/dbraw/zinc/03/41/66/395034166.db2.gz FYFWKPBZPVTJAS-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP COc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cn1 ZINC000436409669 395115605 /nfs/dbraw/zinc/11/56/05/395115605.db2.gz AMZALKGOTXTVRL-CQSZACIVSA-N 2 1 277.412 2.444 20 0 CEADMP CC(C)COCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000376411505 395119679 /nfs/dbraw/zinc/11/96/79/395119679.db2.gz INHMHITWGKDRFB-OAGGEKHMSA-N 2 1 266.429 2.075 20 0 CEADMP CC(C)COCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000376411505 395119684 /nfs/dbraw/zinc/11/96/84/395119684.db2.gz INHMHITWGKDRFB-OAGGEKHMSA-N 2 1 266.429 2.075 20 0 CEADMP CC(C)COCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000376411505 395119690 /nfs/dbraw/zinc/11/96/90/395119690.db2.gz INHMHITWGKDRFB-OAGGEKHMSA-N 2 1 266.429 2.075 20 0 CEADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346824274 395108288 /nfs/dbraw/zinc/10/82/88/395108288.db2.gz OSIAJXRUHAAEMM-BZUAXINKSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCSCC[C@H]2C)CC1 ZINC000348153859 395136294 /nfs/dbraw/zinc/13/62/94/395136294.db2.gz UTCSXQYKFBNKNM-MRXNPFEDSA-N 2 1 299.528 2.230 20 0 CEADMP CC(C)C[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000177836190 395157609 /nfs/dbraw/zinc/15/76/09/395157609.db2.gz PLMOQQYNAHRGDI-BFYDXBDKSA-N 2 1 281.488 2.425 20 0 CEADMP COc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1F ZINC000291804058 395164839 /nfs/dbraw/zinc/16/48/39/395164839.db2.gz XNGNZPLBFVTCAQ-NSHDSACASA-N 2 1 254.349 2.122 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000519831224 395226737 /nfs/dbraw/zinc/22/67/37/395226737.db2.gz COKUUUPHXXTGHE-OHFALNGGSA-N 2 1 271.408 2.497 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000519831224 395226739 /nfs/dbraw/zinc/22/67/39/395226739.db2.gz COKUUUPHXXTGHE-OHFALNGGSA-N 2 1 271.408 2.497 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000520219784 395238455 /nfs/dbraw/zinc/23/84/55/395238455.db2.gz LKTSSNKCZXQRKM-XOSAIJSUSA-N 2 1 276.424 2.223 20 0 CEADMP OCC[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCCSC1 ZINC000438993709 395244215 /nfs/dbraw/zinc/24/42/15/395244215.db2.gz CIPFJJIRSRRDKO-HNNXBMFYSA-N 2 1 286.485 2.052 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](C(C)(C)C)C1)C1CC1 ZINC000352351428 395249343 /nfs/dbraw/zinc/24/93/43/395249343.db2.gz XWHWUZMRMUUIFF-DZGCQCFKSA-N 2 1 268.445 2.200 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](C(C)(C)C)C1)C1CC1 ZINC000352351428 395249346 /nfs/dbraw/zinc/24/93/46/395249346.db2.gz XWHWUZMRMUUIFF-DZGCQCFKSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C)C1)C1CC1 ZINC000352351428 395249352 /nfs/dbraw/zinc/24/93/52/395249352.db2.gz XWHWUZMRMUUIFF-DZGCQCFKSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](C(C)(C)C)C1)C1CC1 ZINC000352351428 395249356 /nfs/dbraw/zinc/24/93/56/395249356.db2.gz XWHWUZMRMUUIFF-DZGCQCFKSA-N 2 1 268.445 2.200 20 0 CEADMP CO[C@H](C[NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000400273991 395251556 /nfs/dbraw/zinc/25/15/56/395251556.db2.gz YDEDDWPBVVZEDS-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP COCC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCCSC1 ZINC000433189322 395206200 /nfs/dbraw/zinc/20/62/00/395206200.db2.gz RWCDVDVLYVHPPV-HUUCEWRRSA-N 2 1 286.485 2.315 20 0 CEADMP COCC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCSC1 ZINC000433189322 395206201 /nfs/dbraw/zinc/20/62/01/395206201.db2.gz RWCDVDVLYVHPPV-HUUCEWRRSA-N 2 1 286.485 2.315 20 0 CEADMP COCC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCSC1 ZINC000433189322 395206212 /nfs/dbraw/zinc/20/62/12/395206212.db2.gz RWCDVDVLYVHPPV-HUUCEWRRSA-N 2 1 286.485 2.315 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000397282872 395220626 /nfs/dbraw/zinc/22/06/26/395220626.db2.gz SHXDGPXMIPDLFJ-CKEIUWERSA-N 2 1 288.435 2.469 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)C[C@@H]12 ZINC000351486798 395224516 /nfs/dbraw/zinc/22/45/16/395224516.db2.gz BDTHSJNWPGAFSI-BPLDGKMQSA-N 2 1 283.375 2.110 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000353055114 395286611 /nfs/dbraw/zinc/28/66/11/395286611.db2.gz CLEIIWXWGZVZRY-QYZOEREBSA-N 2 1 299.462 2.254 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000353055112 395286647 /nfs/dbraw/zinc/28/66/47/395286647.db2.gz CLEIIWXWGZVZRY-GUDVDZBRSA-N 2 1 299.462 2.254 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323054 395325752 /nfs/dbraw/zinc/32/57/52/395325752.db2.gz TUQBOUFVZHXQIU-HZPDHXFCSA-N 3 1 267.461 2.040 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323054 395325757 /nfs/dbraw/zinc/32/57/57/395325757.db2.gz TUQBOUFVZHXQIU-HZPDHXFCSA-N 3 1 267.461 2.040 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420323054 395325762 /nfs/dbraw/zinc/32/57/62/395325762.db2.gz TUQBOUFVZHXQIU-HZPDHXFCSA-N 3 1 267.461 2.040 20 0 CEADMP COC(=O)c1cc(C[N@H+](C)CC(C)(C)C[NH3+])c(C)s1 ZINC000420293363 395299688 /nfs/dbraw/zinc/29/96/88/395299688.db2.gz QVTHYNHQUPRAML-UHFFFAOYSA-N 2 1 284.425 2.260 20 0 CEADMP COC(=O)c1cc(C[N@@H+](C)CC(C)(C)C[NH3+])c(C)s1 ZINC000420293363 395299689 /nfs/dbraw/zinc/29/96/89/395299689.db2.gz QVTHYNHQUPRAML-UHFFFAOYSA-N 2 1 284.425 2.260 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000420294388 395301037 /nfs/dbraw/zinc/30/10/37/395301037.db2.gz SPAIXXUOXPXLQL-HOCLYGCPSA-N 2 1 297.487 2.471 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000420294388 395301039 /nfs/dbraw/zinc/30/10/39/395301039.db2.gz SPAIXXUOXPXLQL-HOCLYGCPSA-N 2 1 297.487 2.471 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000420294358 395301085 /nfs/dbraw/zinc/30/10/85/395301085.db2.gz SNVDJQWILBIUAD-MNOVXSKESA-N 2 1 282.409 2.094 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000420294358 395301087 /nfs/dbraw/zinc/30/10/87/395301087.db2.gz SNVDJQWILBIUAD-MNOVXSKESA-N 2 1 282.409 2.094 20 0 CEADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420323878 395326332 /nfs/dbraw/zinc/32/63/32/395326332.db2.gz UNYASBCQZOPSIB-CABCVRRESA-N 2 1 299.422 2.260 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000353570681 395301355 /nfs/dbraw/zinc/30/13/55/395301355.db2.gz FMWQVXGKELGKAP-UTUOFQBUSA-N 2 1 282.350 2.415 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000353570681 395301358 /nfs/dbraw/zinc/30/13/58/395301358.db2.gz FMWQVXGKELGKAP-UTUOFQBUSA-N 2 1 282.350 2.415 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C1(C(=O)OC)CCC1 ZINC000353546392 395302018 /nfs/dbraw/zinc/30/20/18/395302018.db2.gz VYNWREZNWRHVBX-KBPBESRZSA-N 2 1 282.428 2.040 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(C)s1 ZINC000420295732 395302333 /nfs/dbraw/zinc/30/23/33/395302333.db2.gz WACHHEQCYJWWIX-JQWIXIFHSA-N 2 1 296.436 2.402 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(C)s1 ZINC000420295732 395302336 /nfs/dbraw/zinc/30/23/36/395302336.db2.gz WACHHEQCYJWWIX-JQWIXIFHSA-N 2 1 296.436 2.402 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@](C)([NH3+])CCC ZINC000353601186 395303255 /nfs/dbraw/zinc/30/32/55/395303255.db2.gz ZSRLQRWANBHNKB-GOEBONIOSA-N 2 1 283.460 2.275 20 0 CEADMP CC(C)C[C@@H]1COCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420298847 395303542 /nfs/dbraw/zinc/30/35/42/395303542.db2.gz IANILTCTNPQVLL-LSDHHAIUSA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@@]1(C)CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299249 395304346 /nfs/dbraw/zinc/30/43/46/395304346.db2.gz IMXMIRAYMOSJLR-ULQDDVLXSA-N 2 1 276.424 2.039 20 0 CEADMP CC(C)C[C@H]1COCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420298845 395304363 /nfs/dbraw/zinc/30/43/63/395304363.db2.gz IANILTCTNPQVLL-GJZGRUSLSA-N 2 1 254.418 2.123 20 0 CEADMP C(C[N@H+]1CCS[C@@H]2CCCC[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000420299259 395304635 /nfs/dbraw/zinc/30/46/35/395304635.db2.gz IOTGNTKKGQTGPB-BFHYXJOUSA-N 2 1 254.443 2.346 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000420300899 395305678 /nfs/dbraw/zinc/30/56/78/395305678.db2.gz DFKUWMSZULCXTA-UHTWSYAYSA-N 2 1 294.420 2.094 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420302118 395307424 /nfs/dbraw/zinc/30/74/24/395307424.db2.gz WGIKMTYWBOZZAF-LLVKDONJSA-N 2 1 286.778 2.399 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420302118 395307429 /nfs/dbraw/zinc/30/74/29/395307429.db2.gz WGIKMTYWBOZZAF-LLVKDONJSA-N 2 1 286.778 2.399 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H](C)C[C@H]2C)cc1 ZINC000420308923 395312533 /nfs/dbraw/zinc/31/25/33/395312533.db2.gz SOANGGMCRRACEA-UMVBOHGHSA-N 2 1 262.397 2.468 20 0 CEADMP CCOC(=O)CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000420314411 395317917 /nfs/dbraw/zinc/31/79/17/395317917.db2.gz KVEYVSAUVSNIJR-JKSUJKDBSA-N 2 1 290.407 2.147 20 0 CEADMP CO[C@H](C)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434670007 395319809 /nfs/dbraw/zinc/31/98/09/395319809.db2.gz ODPKGUYZNDRKHL-CYBMUJFWSA-N 2 1 277.412 2.434 20 0 CEADMP Cc1ncsc1C[N@H+](CCCF)C[C@H]1CC[NH2+]C1 ZINC000420319230 395321672 /nfs/dbraw/zinc/32/16/72/395321672.db2.gz XNTDXJVEZLZWNE-LBPRGKRZSA-N 2 1 271.405 2.223 20 0 CEADMP Cc1ncsc1C[N@@H+](CCCF)C[C@H]1CC[NH2+]C1 ZINC000420319230 395321676 /nfs/dbraw/zinc/32/16/76/395321676.db2.gz XNTDXJVEZLZWNE-LBPRGKRZSA-N 2 1 271.405 2.223 20 0 CEADMP Cc1[nH+]ccn1CC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000439290307 395258036 /nfs/dbraw/zinc/25/80/36/395258036.db2.gz WAKSDAJRAXRSAZ-HNNXBMFYSA-N 2 1 263.385 2.083 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420321668 395324055 /nfs/dbraw/zinc/32/40/55/395324055.db2.gz RLCXPRPNECPTKB-IHRRRGAJSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420321668 395324061 /nfs/dbraw/zinc/32/40/61/395324061.db2.gz RLCXPRPNECPTKB-IHRRRGAJSA-N 2 1 289.423 2.245 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(CC(=O)OC)CC2)C[C@@H]1C ZINC000440781765 395355876 /nfs/dbraw/zinc/35/58/76/395355876.db2.gz CALQSHJOSYCQEE-KBPBESRZSA-N 2 1 282.428 2.134 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(CC(=O)OC)CC2)C[C@@H]1C ZINC000440781765 395355885 /nfs/dbraw/zinc/35/58/85/395355885.db2.gz CALQSHJOSYCQEE-KBPBESRZSA-N 2 1 282.428 2.134 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(CC(=O)OC)CC2)C[C@@H]1C ZINC000440781765 395355891 /nfs/dbraw/zinc/35/58/91/395355891.db2.gz CALQSHJOSYCQEE-KBPBESRZSA-N 2 1 282.428 2.134 20 0 CEADMP CSC[C@@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000191553623 395361247 /nfs/dbraw/zinc/36/12/47/395361247.db2.gz NJAPZXVZVBUOAY-INIZCTEOSA-N 2 1 299.528 2.230 20 0 CEADMP CCC(C)(C)CC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420377108 395361937 /nfs/dbraw/zinc/36/19/37/395361937.db2.gz KQVRAZIUBYFSFU-AWEZNQCLSA-N 2 1 279.432 2.200 20 0 CEADMP CCCCOCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420401358 395370790 /nfs/dbraw/zinc/37/07/90/395370790.db2.gz PIKIUHOVIGYJRC-HUUCEWRRSA-N 2 1 254.418 2.267 20 0 CEADMP CC[N@H+](CC(=O)N(CC(C)C)C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435622616 395379114 /nfs/dbraw/zinc/37/91/14/395379114.db2.gz DUTMZTSKAUBDRW-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](CC(=O)N(CC(C)C)C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435622616 395379118 /nfs/dbraw/zinc/37/91/18/395379118.db2.gz DUTMZTSKAUBDRW-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)n1 ZINC000441261611 395383830 /nfs/dbraw/zinc/38/38/30/395383830.db2.gz UTDVMKIWWYNGBJ-IXDOHACOSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)n1 ZINC000441261611 395383831 /nfs/dbraw/zinc/38/38/31/395383831.db2.gz UTDVMKIWWYNGBJ-IXDOHACOSA-N 2 1 289.423 2.074 20 0 CEADMP C[NH2+]CCC[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000435886008 395393871 /nfs/dbraw/zinc/39/38/71/395393871.db2.gz RDTWVMJYTFOTNL-UHFFFAOYSA-N 2 1 250.361 2.442 20 0 CEADMP Clc1ccc(C[N@@H+](CCN2CC[NH2+]CC2)C2CC2)cc1 ZINC000420325102 395328024 /nfs/dbraw/zinc/32/80/24/395328024.db2.gz WHLKOZZHEJEQGI-UHFFFAOYSA-N 2 1 293.842 2.210 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336127 395335166 /nfs/dbraw/zinc/33/51/66/395335166.db2.gz IMJHHDSNDSUQNA-YHUYYLMFSA-N 2 1 295.471 2.001 20 0 CEADMP COc1ccccc1OCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420353778 395340632 /nfs/dbraw/zinc/34/06/32/395340632.db2.gz CBBVSZGSWBWSDC-CQSZACIVSA-N 2 1 266.385 2.037 20 0 CEADMP C[NH2+]CCCN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000420353177 395340757 /nfs/dbraw/zinc/34/07/57/395340757.db2.gz BHXQLHRVGRWVNI-AWEZNQCLSA-N 2 1 279.403 2.114 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCN(C)c1ccccc1 ZINC000420353569 395341354 /nfs/dbraw/zinc/34/13/54/395341354.db2.gz AOWFUHLMBSRMKA-IJEWVQPXSA-N 2 1 261.413 2.099 20 0 CEADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)c1 ZINC000420357569 395344253 /nfs/dbraw/zinc/34/42/53/395344253.db2.gz IHFSUNHAFSPOLS-GOSISDBHSA-N 2 1 287.451 2.346 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)C1CCCCC1 ZINC000354844820 395345545 /nfs/dbraw/zinc/34/55/45/395345545.db2.gz YXRJUQUQHRSGFZ-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000354844820 395345552 /nfs/dbraw/zinc/34/55/52/395345552.db2.gz YXRJUQUQHRSGFZ-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000354844820 395345554 /nfs/dbraw/zinc/34/55/54/395345554.db2.gz YXRJUQUQHRSGFZ-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCOC(=O)CCCCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420360697 395346617 /nfs/dbraw/zinc/34/66/17/395346617.db2.gz HIZWIJJHKAIPMT-GZBFAFLISA-N 2 1 270.417 2.086 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000354978487 395351407 /nfs/dbraw/zinc/35/14/07/395351407.db2.gz YHXODLGRVMHMMV-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP c1ccc(C[N@H+](CC[C@@H]2CCC[NH2+]C2)C2CC2)nc1 ZINC000420365608 395351937 /nfs/dbraw/zinc/35/19/37/395351937.db2.gz SIVVUMQOLIWFMC-AWEZNQCLSA-N 2 1 259.397 2.436 20 0 CEADMP CC(C)[NH+]1CCC(N(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000355410724 395440421 /nfs/dbraw/zinc/44/04/21/395440421.db2.gz RHWUSVUDEQREDY-GASCZTMLSA-N 2 1 295.471 2.190 20 0 CEADMP Cc1cccc(NCCNC(=O)C[C@H]([NH3+])c2ccccc2)[nH+]1 ZINC000448238781 395511965 /nfs/dbraw/zinc/51/19/65/395511965.db2.gz HRYWPWHXJIUBKZ-HNNXBMFYSA-N 2 1 298.390 2.008 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000448551774 395514321 /nfs/dbraw/zinc/51/43/21/395514321.db2.gz OVLFZBMQEBKGLE-HXUWFJFHSA-N 2 1 297.468 2.205 20 0 CEADMP Cn1cncc1CCC[N@@H+](C)CCc1ccccc1O ZINC000566416281 395520253 /nfs/dbraw/zinc/52/02/53/395520253.db2.gz KQZGMSVMRJAYMC-UHFFFAOYSA-N 2 1 273.380 2.233 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)CCc1ccccc1O ZINC000566416281 395520256 /nfs/dbraw/zinc/52/02/56/395520256.db2.gz KQZGMSVMRJAYMC-UHFFFAOYSA-N 2 1 273.380 2.233 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCc1ccccc1O ZINC000566416281 395520258 /nfs/dbraw/zinc/52/02/58/395520258.db2.gz KQZGMSVMRJAYMC-UHFFFAOYSA-N 2 1 273.380 2.233 20 0 CEADMP C[NH+](C)C1(CNC(=O)C[N@H+]2CCC(C)(C)C2)CCCCC1 ZINC000566432147 395523169 /nfs/dbraw/zinc/52/31/69/395523169.db2.gz ZXRLABDWZGXRSE-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+]1CCC(NCC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000446846623 395500779 /nfs/dbraw/zinc/50/07/79/395500779.db2.gz CBIBJMUZVDOUAM-UHFFFAOYSA-N 2 1 267.461 2.182 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000446890774 395501378 /nfs/dbraw/zinc/50/13/78/395501378.db2.gz PDKUTGNORBIUFW-WMLDXEAASA-N 3 1 279.472 2.181 20 0 CEADMP CCN1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000446890774 395501381 /nfs/dbraw/zinc/50/13/81/395501381.db2.gz PDKUTGNORBIUFW-WMLDXEAASA-N 2 1 279.472 2.181 20 0 CEADMP CC[NH+](Cc1ccccc1C)C[C@@H](O)C[N@@H+](C)CC ZINC000573309868 395605283 /nfs/dbraw/zinc/60/52/83/395605283.db2.gz CLHKHGRMCDKSHV-INIZCTEOSA-N 2 1 264.413 2.130 20 0 CEADMP CC[NH+](Cc1ccccc1C)C[C@@H](O)C[N@H+](C)CC ZINC000573309868 395605285 /nfs/dbraw/zinc/60/52/85/395605285.db2.gz CLHKHGRMCDKSHV-INIZCTEOSA-N 2 1 264.413 2.130 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)Cc1ccccc1C ZINC000573309868 395605287 /nfs/dbraw/zinc/60/52/87/395605287.db2.gz CLHKHGRMCDKSHV-INIZCTEOSA-N 2 1 264.413 2.130 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)Cc1ccccc1C ZINC000573309868 395605289 /nfs/dbraw/zinc/60/52/89/395605289.db2.gz CLHKHGRMCDKSHV-INIZCTEOSA-N 2 1 264.413 2.130 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451344167 395608027 /nfs/dbraw/zinc/60/80/27/395608027.db2.gz PMJMINUKIVMXNE-VQHPVUNQSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451344167 395608029 /nfs/dbraw/zinc/60/80/29/395608029.db2.gz PMJMINUKIVMXNE-VQHPVUNQSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451344167 395608031 /nfs/dbraw/zinc/60/80/31/395608031.db2.gz PMJMINUKIVMXNE-VQHPVUNQSA-N 2 1 280.456 2.486 20 0 CEADMP COC(=O)[C@H](NCCCc1c[nH+]cn1C)C1CCCCC1 ZINC000568103924 395548344 /nfs/dbraw/zinc/54/83/44/395548344.db2.gz RXNAQSBPOZTZDI-OAHLLOKOSA-N 2 1 293.411 2.064 20 0 CEADMP CO[C@@]1(C)CCC[N@H+](CCCc2c[nH+]cn2C)CC1 ZINC000573978486 395623723 /nfs/dbraw/zinc/62/37/23/395623723.db2.gz ASLKDEGMOZMCGW-HNNXBMFYSA-N 2 1 265.401 2.244 20 0 CEADMP CO[C@@]1(C)CCC[N@@H+](CCCc2c[nH+]cn2C)CC1 ZINC000573978486 395623724 /nfs/dbraw/zinc/62/37/24/395623724.db2.gz ASLKDEGMOZMCGW-HNNXBMFYSA-N 2 1 265.401 2.244 20 0 CEADMP CC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000575044668 395644842 /nfs/dbraw/zinc/64/48/42/395644842.db2.gz OYLIIZPENSUYJH-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)[C@@H]1CC1(C)C ZINC000487309633 395667208 /nfs/dbraw/zinc/66/72/08/395667208.db2.gz LCQNCUDDGAMOOZ-KKUMJFAQSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)[C@H]1CC1(C)C ZINC000487309639 395667263 /nfs/dbraw/zinc/66/72/63/395667263.db2.gz LCQNCUDDGAMOOZ-SOUVJXGZSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nccc2ccccc21 ZINC000647509220 395723789 /nfs/dbraw/zinc/72/37/89/395723789.db2.gz WGBAPZWQALSAKM-CHWSQXEVSA-N 2 1 255.365 2.404 20 0 CEADMP CCN(C)c1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cn1 ZINC000647482520 395720450 /nfs/dbraw/zinc/72/04/50/395720450.db2.gz LVKLYYYHRXEYNS-UHFFFAOYSA-N 2 1 288.439 2.254 20 0 CEADMP CCN(C)c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cn1 ZINC000647482520 395720453 /nfs/dbraw/zinc/72/04/53/395720453.db2.gz LVKLYYYHRXEYNS-UHFFFAOYSA-N 2 1 288.439 2.254 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cn(C(C)C)nc2C)CC[C@@H]1[NH3+] ZINC000647497565 395721433 /nfs/dbraw/zinc/72/14/33/395721433.db2.gz MFUGXDDLUXHMOX-ZFWWWQNUSA-N 2 1 264.417 2.332 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)CC[C@@H]1[NH3+] ZINC000647497565 395721434 /nfs/dbraw/zinc/72/14/34/395721434.db2.gz MFUGXDDLUXHMOX-ZFWWWQNUSA-N 2 1 264.417 2.332 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc3c(c2)ncn3C)CC[C@H]1[NH3+] ZINC000647498197 395722371 /nfs/dbraw/zinc/72/23/71/395722371.db2.gz CMVAHEGIHWXDSV-UONOGXRCSA-N 2 1 272.396 2.133 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531172 395727245 /nfs/dbraw/zinc/72/72/45/395727245.db2.gz FJIPGTWXPGSGJD-UHFFFAOYSA-N 2 1 250.390 2.020 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531204 395727346 /nfs/dbraw/zinc/72/73/46/395727346.db2.gz GZRHRTGJYZAUKA-UHFFFAOYSA-N 2 1 284.407 2.494 20 0 CEADMP c1cc2cnccc2c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000647538785 395729892 /nfs/dbraw/zinc/72/98/92/395729892.db2.gz HNOYGJKQOSPWPP-QGZVFWFLSA-N 2 1 267.376 2.420 20 0 CEADMP CCc1nn(C)cc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000647541398 395730207 /nfs/dbraw/zinc/73/02/07/395730207.db2.gz RKUISKQDIKXECQ-UHFFFAOYSA-N 2 1 278.444 2.324 20 0 CEADMP c1cc2cc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)ccc2cn1 ZINC000647542278 395731128 /nfs/dbraw/zinc/73/11/28/395731128.db2.gz CWGVWMBXRRZXFE-DLBZAZTESA-N 2 1 267.376 2.419 20 0 CEADMP c1cc2cc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)ccc2cn1 ZINC000647542278 395731130 /nfs/dbraw/zinc/73/11/30/395731130.db2.gz CWGVWMBXRRZXFE-DLBZAZTESA-N 2 1 267.376 2.419 20 0 CEADMP NC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCCCC1 ZINC000647546649 395731910 /nfs/dbraw/zinc/73/19/10/395731910.db2.gz UECNKOMRNWWRBU-RRFJBIMHSA-N 2 1 265.445 2.016 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1)CCOCC2 ZINC000647553173 395734237 /nfs/dbraw/zinc/73/42/37/395734237.db2.gz FUTAAKYWNNLTKQ-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2c1C ZINC000647709884 395747491 /nfs/dbraw/zinc/74/74/91/395747491.db2.gz ZBSGFEOAONSNBS-KGLIPLIRSA-N 2 1 299.422 2.401 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647793218 395755367 /nfs/dbraw/zinc/75/53/67/395755367.db2.gz PPNMFLLBBCYFLE-XMTFNYHQSA-N 3 1 293.499 2.332 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCCOc1ccccc1C ZINC000647959958 395786179 /nfs/dbraw/zinc/78/61/79/395786179.db2.gz WHGZHDIRVFLVOM-MRXNPFEDSA-N 2 1 294.439 2.008 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCOc1ccccc1C ZINC000647959958 395786182 /nfs/dbraw/zinc/78/61/82/395786182.db2.gz WHGZHDIRVFLVOM-MRXNPFEDSA-N 2 1 294.439 2.008 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCCOc1ccccc1C ZINC000647959958 395786186 /nfs/dbraw/zinc/78/61/86/395786186.db2.gz WHGZHDIRVFLVOM-MRXNPFEDSA-N 2 1 294.439 2.008 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCOc1ccccc1C ZINC000647959958 395786188 /nfs/dbraw/zinc/78/61/88/395786188.db2.gz WHGZHDIRVFLVOM-MRXNPFEDSA-N 2 1 294.439 2.008 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](CC1CC1)C1CCCCC1 ZINC000647962249 395787121 /nfs/dbraw/zinc/78/71/21/395787121.db2.gz VIJDXBICRSYBDA-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](CC1CC1)C1CCCCC1 ZINC000647962249 395787123 /nfs/dbraw/zinc/78/71/23/395787123.db2.gz VIJDXBICRSYBDA-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CC1CC1)C1CCCCC1 ZINC000647962249 395787125 /nfs/dbraw/zinc/78/71/25/395787125.db2.gz VIJDXBICRSYBDA-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC1CC1)C1CCCCC1 ZINC000647962249 395787127 /nfs/dbraw/zinc/78/71/27/395787127.db2.gz VIJDXBICRSYBDA-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1cccc2nc(CC[NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)cn21 ZINC000647804267 395758389 /nfs/dbraw/zinc/75/83/89/395758389.db2.gz NFPWAHNWBGRCPO-GOEBONIOSA-N 2 1 286.423 2.305 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC[C@H]2CCC[C@@H](C)C2)CCO1 ZINC000647865262 395765363 /nfs/dbraw/zinc/76/53/63/395765363.db2.gz DWUYLXGBSISBTL-BARDWOONSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC[C@H]2CCC[C@@H](C)C2)CCO1 ZINC000647865262 395765365 /nfs/dbraw/zinc/76/53/65/395765365.db2.gz DWUYLXGBSISBTL-BARDWOONSA-N 2 1 254.418 2.251 20 0 CEADMP COc1cccc(C[C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647881152 395768062 /nfs/dbraw/zinc/76/80/62/395768062.db2.gz HZCQOXGIKDUWEP-HOTGVXAUSA-N 2 1 274.408 2.312 20 0 CEADMP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000647883525 395768639 /nfs/dbraw/zinc/76/86/39/395768639.db2.gz ZLSUIJCZTGTYSF-HUUCEWRRSA-N 2 1 289.423 2.335 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000647883525 395768640 /nfs/dbraw/zinc/76/86/40/395768640.db2.gz ZLSUIJCZTGTYSF-HUUCEWRRSA-N 2 1 289.423 2.335 20 0 CEADMP COc1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647884093 395768821 /nfs/dbraw/zinc/76/88/21/395768821.db2.gz HDFAEHYZBYHELE-DZGCQCFKSA-N 2 1 260.381 2.442 20 0 CEADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647886686 395769238 /nfs/dbraw/zinc/76/92/38/395769238.db2.gz KGZGMXRPVNYPIM-DZGCQCFKSA-N 2 1 290.382 2.330 20 0 CEADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647886686 395769241 /nfs/dbraw/zinc/76/92/41/395769241.db2.gz KGZGMXRPVNYPIM-DZGCQCFKSA-N 2 1 290.382 2.330 20 0 CEADMP CCOC[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647890798 395770085 /nfs/dbraw/zinc/77/00/85/395770085.db2.gz WAOMOCCIFVMHAL-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)[C@H]1CCCCO1 ZINC000647903749 395770635 /nfs/dbraw/zinc/77/06/35/395770635.db2.gz PAUFYQKUXZEOAQ-OAGGEKHMSA-N 2 1 266.429 2.410 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000648177001 395854152 /nfs/dbraw/zinc/85/41/52/395854152.db2.gz XEFCDTYNAAUACV-JSGCOSHPSA-N 2 1 292.427 2.030 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000647971022 395791569 /nfs/dbraw/zinc/79/15/69/395791569.db2.gz PMOUTCKFSPZYHK-IAGOWNOFSA-N 2 1 276.424 2.428 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000647971022 395791572 /nfs/dbraw/zinc/79/15/72/395791572.db2.gz PMOUTCKFSPZYHK-IAGOWNOFSA-N 2 1 276.424 2.428 20 0 CEADMP c1nc([C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000647991620 395797627 /nfs/dbraw/zinc/79/76/27/395797627.db2.gz TWZWFRKZOCGENQ-CABCVRRESA-N 2 1 288.439 2.008 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC(C)(C)C[NH+](C)C ZINC000648718799 395966193 /nfs/dbraw/zinc/96/61/93/395966193.db2.gz DPLUPLBCNAHDMG-CYBMUJFWSA-N 2 1 294.443 2.101 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000649411890 396146420 /nfs/dbraw/zinc/14/64/20/396146420.db2.gz PJWSPZCSBUZREO-QGZVFWFLSA-N 2 1 279.472 2.326 20 0 CEADMP C(CC1CC[NH2+]CC1)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000649411890 396146421 /nfs/dbraw/zinc/14/64/21/396146421.db2.gz PJWSPZCSBUZREO-QGZVFWFLSA-N 2 1 279.472 2.326 20 0 CEADMP Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@H]1CC[NH2+]C1)CCC2 ZINC000649413620 396147142 /nfs/dbraw/zinc/14/71/42/396147142.db2.gz RZLHIHRDNSBHTI-WCQYABFASA-N 2 1 265.426 2.370 20 0 CEADMP Cc1nc(C(C)(C)[NH2+]C[C@@H]2CC[NH2+]C2)sc1C ZINC000649414599 396148051 /nfs/dbraw/zinc/14/80/51/396148051.db2.gz KYLLLCSDENQWFC-LLVKDONJSA-N 2 1 253.415 2.194 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCC2CC[NH2+]CC2)C1 ZINC000649414007 396148152 /nfs/dbraw/zinc/14/81/52/396148152.db2.gz ATPVUVABVOLFSV-SFHVURJKSA-N 3 1 293.499 2.430 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414007 396148155 /nfs/dbraw/zinc/14/81/55/396148155.db2.gz ATPVUVABVOLFSV-SFHVURJKSA-N 3 1 293.499 2.430 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414007 396148158 /nfs/dbraw/zinc/14/81/58/396148158.db2.gz ATPVUVABVOLFSV-SFHVURJKSA-N 3 1 293.499 2.430 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000649507529 396174198 /nfs/dbraw/zinc/17/41/98/396174198.db2.gz WELUMSOSZQULPO-HZPDHXFCSA-N 2 1 265.445 2.031 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CCO)c1ccccc1F ZINC000646069491 396282891 /nfs/dbraw/zinc/28/28/91/396282891.db2.gz DYSXMMMTKYMEBN-MRXNPFEDSA-N 2 1 291.370 2.434 20 0 CEADMP OC(C[NH+]1CCC12CCCC2)C[N@@H+]1CCC12CCCC2 ZINC000649657779 396221888 /nfs/dbraw/zinc/22/18/88/396221888.db2.gz MBKWEJIHERAGLL-UHFFFAOYSA-N 2 1 278.440 2.384 20 0 CEADMP OC(C[NH+]1CCC12CCCC2)C[N@H+]1CCC12CCCC2 ZINC000649657779 396221890 /nfs/dbraw/zinc/22/18/90/396221890.db2.gz MBKWEJIHERAGLL-UHFFFAOYSA-N 2 1 278.440 2.384 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCc1ccccc1)CCO2 ZINC000646103315 396294357 /nfs/dbraw/zinc/29/43/57/396294357.db2.gz BPLQOEIOMAHTJP-UHFFFAOYSA-N 2 1 288.435 2.416 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000646805511 396383039 /nfs/dbraw/zinc/38/30/39/396383039.db2.gz MPZSRJNHBHZFAR-XJKSGUPXSA-N 2 1 289.423 2.197 20 0 CEADMP CC(C)C[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000386050257 400524278 /nfs/dbraw/zinc/52/42/78/400524278.db2.gz BUCYHEBUDOSBEQ-OAHLLOKOSA-N 2 1 258.450 2.302 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000394445533 400548935 /nfs/dbraw/zinc/54/89/35/400548935.db2.gz VDNJERPHUDUNIJ-ROUUACIJSA-N 2 1 298.434 2.491 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000394445533 400548938 /nfs/dbraw/zinc/54/89/38/400548938.db2.gz VDNJERPHUDUNIJ-ROUUACIJSA-N 2 1 298.434 2.491 20 0 CEADMP COC1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000414184532 292160433 /nfs/dbraw/zinc/16/04/33/292160433.db2.gz ORRBZSOJYTVTLA-FKQQDJLNSA-N 2 1 254.418 2.262 20 0 CEADMP Cc1nc(NCc2ccc(C[NH3+])cc2F)c(C)c(C)[nH+]1 ZINC000650305827 400866340 /nfs/dbraw/zinc/86/63/40/400866340.db2.gz LRNWRDZXLGMPTR-UHFFFAOYSA-N 2 1 274.343 2.034 20 0 CEADMP Cc1cccnc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707573 400998504 /nfs/dbraw/zinc/99/85/04/400998504.db2.gz IVWUFLZVFAQZPE-YQQAZPJKSA-N 2 1 289.423 2.108 20 0 CEADMP Cc1csc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)n1 ZINC000650723632 401011134 /nfs/dbraw/zinc/01/11/34/401011134.db2.gz RCNLKMNTQNMKAU-MCIONIFRSA-N 2 1 295.452 2.312 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@H]2CCSC2)C1 ZINC000650723051 401011662 /nfs/dbraw/zinc/01/16/62/401011662.db2.gz GXNBMWPCNNKSIM-TUVASFSCSA-N 2 1 284.469 2.100 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000650722840 401012085 /nfs/dbraw/zinc/01/20/85/401012085.db2.gz CCSBEMJDNGKDAX-BBWFWOEESA-N 2 1 289.423 2.251 20 0 CEADMP CC[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000650747544 401023995 /nfs/dbraw/zinc/02/39/95/401023995.db2.gz BYIYCWWOASVTFM-LZWOXQAQSA-N 2 1 259.397 2.143 20 0 CEADMP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000651651733 401367365 /nfs/dbraw/zinc/36/73/65/401367365.db2.gz IFANUNJKVCXMBQ-HOTGVXAUSA-N 2 1 296.418 2.140 20 0 CEADMP CC[C@]1(C)CCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000651706777 401375303 /nfs/dbraw/zinc/37/53/03/401375303.db2.gz MIWUUXIPTZZQRD-HLLBOEOZSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000651865677 401406098 /nfs/dbraw/zinc/40/60/98/401406098.db2.gz DEDQREXADXNSRL-ZBFHGGJFSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000651865677 401406100 /nfs/dbraw/zinc/40/61/00/401406100.db2.gz DEDQREXADXNSRL-ZBFHGGJFSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000651865677 401406105 /nfs/dbraw/zinc/40/61/05/401406105.db2.gz DEDQREXADXNSRL-ZBFHGGJFSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](CO)CCF ZINC000652306122 401484008 /nfs/dbraw/zinc/48/40/08/401484008.db2.gz OOZHZJVXAIKKMM-PVAVHDDUSA-N 2 1 294.414 2.207 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](CO)CCF ZINC000652306122 401484011 /nfs/dbraw/zinc/48/40/11/401484011.db2.gz OOZHZJVXAIKKMM-PVAVHDDUSA-N 2 1 294.414 2.207 20 0 CEADMP COCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363154 401494783 /nfs/dbraw/zinc/49/47/83/401494783.db2.gz YZNQDDTUKJNQAX-XHSDSOJGSA-N 2 1 284.444 2.164 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000336841205 286181747 /nfs/dbraw/zinc/18/17/47/286181747.db2.gz ZBMCVORFRLBKFZ-OAHLLOKOSA-N 2 1 289.423 2.376 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000336841205 286181754 /nfs/dbraw/zinc/18/17/54/286181754.db2.gz ZBMCVORFRLBKFZ-OAHLLOKOSA-N 2 1 289.423 2.376 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCCc2ccncc2)CCN1C ZINC000360455357 155305267 /nfs/dbraw/zinc/30/52/67/155305267.db2.gz NGKKHTFBDGZGDE-HOCLYGCPSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCCc2ccncc2)CC[N@@H+]1C ZINC000360455357 155305271 /nfs/dbraw/zinc/30/52/71/155305271.db2.gz NGKKHTFBDGZGDE-HOCLYGCPSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCCc2ccncc2)CC[N@H+]1C ZINC000360455357 155305272 /nfs/dbraw/zinc/30/52/72/155305272.db2.gz NGKKHTFBDGZGDE-HOCLYGCPSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCCc2ccncc2)CC[NH+]1C ZINC000360455357 155305276 /nfs/dbraw/zinc/30/52/76/155305276.db2.gz NGKKHTFBDGZGDE-HOCLYGCPSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCCc2ccncc2)CC[NH+]1C ZINC000360455357 155305279 /nfs/dbraw/zinc/30/52/79/155305279.db2.gz NGKKHTFBDGZGDE-HOCLYGCPSA-N 2 1 261.413 2.429 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000191545541 153175742 /nfs/dbraw/zinc/17/57/42/153175742.db2.gz MFWKPXYRKUXSRV-CALCHBBNSA-N 2 1 279.472 2.134 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000191817860 153187900 /nfs/dbraw/zinc/18/79/00/153187900.db2.gz JXGJXXBKKWCZCU-INIZCTEOSA-N 2 1 292.471 2.407 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CCCOc3ccc(F)cc3)C[C@@H]2C1 ZINC000193609980 153233643 /nfs/dbraw/zinc/23/36/43/153233643.db2.gz IPJAFNNIAKJQHH-OKILXGFUSA-N 2 1 278.371 2.088 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCCOc3ccc(F)cc3)C[C@@H]2C1 ZINC000193609980 153233647 /nfs/dbraw/zinc/23/36/47/153233647.db2.gz IPJAFNNIAKJQHH-OKILXGFUSA-N 2 1 278.371 2.088 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCCOc3ccc(F)cc3)C[C@@H]2C1 ZINC000193609980 153233652 /nfs/dbraw/zinc/23/36/52/153233652.db2.gz IPJAFNNIAKJQHH-OKILXGFUSA-N 2 1 278.371 2.088 20 0 CEADMP C1=CO[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000194007900 153245656 /nfs/dbraw/zinc/24/56/56/153245656.db2.gz ZRVGMFYXDXFZKD-HOTGVXAUSA-N 2 1 264.413 2.487 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]C(C)(C)C)[C@H](c2ccccc2)C1 ZINC000216613932 153297475 /nfs/dbraw/zinc/29/74/75/153297475.db2.gz WPXKWAIEETZNEM-INIZCTEOSA-N 2 1 275.440 2.363 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000221917890 153310713 /nfs/dbraw/zinc/31/07/13/153310713.db2.gz PVJNTWKXCFEMCR-LBPRGKRZSA-N 2 1 252.406 2.109 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000221917890 153310715 /nfs/dbraw/zinc/31/07/15/153310715.db2.gz PVJNTWKXCFEMCR-LBPRGKRZSA-N 2 1 252.406 2.109 20 0 CEADMP Clc1cnc(CNC[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000225312409 153327217 /nfs/dbraw/zinc/32/72/17/153327217.db2.gz PKKUGKBVQVHJQN-VIFPVBQESA-N 2 1 271.817 2.370 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)CC[NH2+]C1 ZINC000261774909 153833179 /nfs/dbraw/zinc/83/31/79/153833179.db2.gz NBPIXALLVHXBDX-ZWKOTPCHSA-N 2 1 288.435 2.012 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO[C@@H]1C1CC1 ZINC000344093752 154272099 /nfs/dbraw/zinc/27/20/99/154272099.db2.gz CQOOAENPXSPAGA-QBPKDAKJSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000346677897 154290775 /nfs/dbraw/zinc/29/07/75/154290775.db2.gz LAAAGLDMMNEICA-GHMZBOCLSA-N 2 1 276.409 2.307 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000351858359 154318442 /nfs/dbraw/zinc/31/84/42/154318442.db2.gz YSBCBNRLPNUGDM-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000351858359 154318448 /nfs/dbraw/zinc/31/84/48/154318448.db2.gz YSBCBNRLPNUGDM-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)s1 ZINC000352735522 154331473 /nfs/dbraw/zinc/33/14/73/154331473.db2.gz HUPXJHBZUBRVJG-TZMCWYRMSA-N 2 1 295.452 2.252 20 0 CEADMP C[C@H]1CC[N@@H+](CCOCC[NH3+])[C@H]1c1cccc(F)c1 ZINC000357082445 154375791 /nfs/dbraw/zinc/37/57/91/154375791.db2.gz XAGSQHQOMYRKON-SWLSCSKDSA-N 2 1 266.360 2.184 20 0 CEADMP CC(C)[NH+](CCN[C@@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000359592107 155070301 /nfs/dbraw/zinc/07/03/01/155070301.db2.gz QKUMVQOLNOVMAY-LSDHHAIUSA-N 2 1 255.450 2.035 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000359684277 155111330 /nfs/dbraw/zinc/11/13/30/155111330.db2.gz ZMVIIRYAIDSURM-YJBOKZPZSA-N 2 1 298.434 2.361 20 0 CEADMP Cc1cccn2c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cnc12 ZINC000363166992 156006677 /nfs/dbraw/zinc/00/66/77/156006677.db2.gz BMARGGMVLWCOLC-GJZGRUSLSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1cccn2c(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cnc12 ZINC000363166992 156006679 /nfs/dbraw/zinc/00/66/79/156006679.db2.gz BMARGGMVLWCOLC-GJZGRUSLSA-N 2 1 284.407 2.359 20 0 CEADMP COC(=O)[C@H](C)C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000367021233 156117759 /nfs/dbraw/zinc/11/77/59/156117759.db2.gz LTFNQSMAWKHYSW-GFCCVEGCSA-N 2 1 291.395 2.075 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC23CCOCC3)CCCO1 ZINC000367092665 156129656 /nfs/dbraw/zinc/12/96/56/156129656.db2.gz GUUDCSLHRMKNGI-HZPDHXFCSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC23CCOCC3)CCCO1 ZINC000367092665 156129660 /nfs/dbraw/zinc/12/96/60/156129660.db2.gz GUUDCSLHRMKNGI-HZPDHXFCSA-N 2 1 296.455 2.036 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](CCCCF)CC1 ZINC000367545492 156200306 /nfs/dbraw/zinc/20/03/06/156200306.db2.gz WQAPWFKVQBIEMZ-UHFFFAOYSA-N 2 1 253.365 2.424 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000367589549 156207894 /nfs/dbraw/zinc/20/78/94/156207894.db2.gz PLCPXAMPDFULTK-ULQDDVLXSA-N 3 1 279.472 2.325 20 0 CEADMP CN1CC[C@H]([NH2+]CCCC[NH+]2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000367589549 156207900 /nfs/dbraw/zinc/20/79/00/156207900.db2.gz PLCPXAMPDFULTK-ULQDDVLXSA-N 2 1 279.472 2.325 20 0 CEADMP C[NH+](C)CC(C)(C)CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367601251 156212985 /nfs/dbraw/zinc/21/29/85/156212985.db2.gz NFGXPDDDZPHGGX-KFWWJZLASA-N 2 1 267.461 2.037 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367601251 156212987 /nfs/dbraw/zinc/21/29/87/156212987.db2.gz NFGXPDDDZPHGGX-KFWWJZLASA-N 3 1 267.461 2.037 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367601251 156212991 /nfs/dbraw/zinc/21/29/91/156212991.db2.gz NFGXPDDDZPHGGX-KFWWJZLASA-N 3 1 267.461 2.037 20 0 CEADMP CCC[C@]1(CO)CC[N@@H+](CCCCn2ccnc2C)C1 ZINC000367983021 156268756 /nfs/dbraw/zinc/26/87/56/156268756.db2.gz MLWOPGVCSNXUGR-INIZCTEOSA-N 2 1 279.428 2.456 20 0 CEADMP CCC[C@]1(CO)CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000367983021 156268759 /nfs/dbraw/zinc/26/87/59/156268759.db2.gz MLWOPGVCSNXUGR-INIZCTEOSA-N 2 1 279.428 2.456 20 0 CEADMP CCC[C@]1(CO)CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000367983021 156268761 /nfs/dbraw/zinc/26/87/61/156268761.db2.gz MLWOPGVCSNXUGR-INIZCTEOSA-N 2 1 279.428 2.456 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000368054767 156274850 /nfs/dbraw/zinc/27/48/50/156274850.db2.gz FHTAYMBJUHUSDZ-OAHLLOKOSA-N 2 1 256.434 2.059 20 0 CEADMP CC(C)[C@H](O)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000368394579 156339110 /nfs/dbraw/zinc/33/91/10/156339110.db2.gz WCYTUAHJQSXRIB-GDBMZVCRSA-N 2 1 280.456 2.200 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1(C)C ZINC000530216504 298052347 /nfs/dbraw/zinc/05/23/47/298052347.db2.gz PUVWRSJULBDLBR-MELADBBJSA-N 2 1 266.429 2.453 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1C ZINC000375031051 157041912 /nfs/dbraw/zinc/04/19/12/157041912.db2.gz MWPUKKKEEUOKDT-GOEBONIOSA-N 2 1 289.423 2.233 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1C ZINC000375031051 157041915 /nfs/dbraw/zinc/04/19/15/157041915.db2.gz MWPUKKKEEUOKDT-GOEBONIOSA-N 2 1 289.423 2.233 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2F)[C@H]2CCC[C@@H]21 ZINC000375854828 157152636 /nfs/dbraw/zinc/15/26/36/157152636.db2.gz WQKNBYFQPIIKLG-IWCQGFGOSA-N 2 1 292.398 2.322 20 0 CEADMP Cc1ccnc([C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000375854204 157152769 /nfs/dbraw/zinc/15/27/69/157152769.db2.gz SHDRTHDRAUYQQQ-STQMWFEESA-N 2 1 256.353 2.252 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000375901974 157159576 /nfs/dbraw/zinc/15/95/76/157159576.db2.gz DSWSSEKJNASAAC-KRWDZBQOSA-N 2 1 279.472 2.277 20 0 CEADMP COC(C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C)OC ZINC000375966651 157169647 /nfs/dbraw/zinc/16/96/47/157169647.db2.gz BXOCGZYTKQXUKE-ZDUSSCGKSA-N 2 1 281.400 2.090 20 0 CEADMP COC(C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C)OC ZINC000375966651 157169651 /nfs/dbraw/zinc/16/96/51/157169651.db2.gz BXOCGZYTKQXUKE-ZDUSSCGKSA-N 2 1 281.400 2.090 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000558697570 298600324 /nfs/dbraw/zinc/60/03/24/298600324.db2.gz JSAYCOHJYYUBJX-TZMCWYRMSA-N 2 1 253.365 2.471 20 0 CEADMP CC(C)n1ccnc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178626788 165251571 /nfs/dbraw/zinc/25/15/71/165251571.db2.gz XQBBRNZGAUOFDW-HUUCEWRRSA-N 2 1 276.428 2.380 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000182063370 165361808 /nfs/dbraw/zinc/36/18/08/165361808.db2.gz CSQHFMCTYFXCLC-WBVHZDCISA-N 2 1 276.424 2.430 20 0 CEADMP CC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000020194501 171059851 /nfs/dbraw/zinc/05/98/51/171059851.db2.gz OFJNMMKRWRIHQY-OAHLLOKOSA-N 2 1 262.397 2.012 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCOCC1 ZINC000086869566 287268382 /nfs/dbraw/zinc/26/83/82/287268382.db2.gz WKXIKIRMNWMTBC-HUUCEWRRSA-N 2 1 254.418 2.410 20 0 CEADMP CC(C)[NH2+]C1(CO)CC[NH+](CC2=CCCCC2)CC1 ZINC000565161855 298882012 /nfs/dbraw/zinc/88/20/12/298882012.db2.gz GTMNCQFYXIEXJN-UHFFFAOYSA-N 2 1 266.429 2.312 20 0 CEADMP COC(=O)[C@H](CC(C)C)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000285588148 196335427 /nfs/dbraw/zinc/33/54/27/196335427.db2.gz KQMGAIFAGSUGTC-ILXRZTDVSA-N 2 1 293.411 2.354 20 0 CEADMP COC(=O)[C@H](CC(C)C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000285588148 196335429 /nfs/dbraw/zinc/33/54/29/196335429.db2.gz KQMGAIFAGSUGTC-ILXRZTDVSA-N 2 1 293.411 2.354 20 0 CEADMP OCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000285611628 196343403 /nfs/dbraw/zinc/34/34/03/196343403.db2.gz KGTJWSMDNJAASQ-KZNAEPCWSA-N 2 1 288.435 2.259 20 0 CEADMP C[N@@H+](CCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285612955 196344467 /nfs/dbraw/zinc/34/44/67/196344467.db2.gz VYFMAMSVRUOMQD-XYPWUTKMSA-N 2 1 259.397 2.181 20 0 CEADMP C[NH+](CCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285612955 196344469 /nfs/dbraw/zinc/34/44/69/196344469.db2.gz VYFMAMSVRUOMQD-XYPWUTKMSA-N 2 1 259.397 2.181 20 0 CEADMP C[NH+](CCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285612955 196344471 /nfs/dbraw/zinc/34/44/71/196344471.db2.gz VYFMAMSVRUOMQD-XYPWUTKMSA-N 2 1 259.397 2.181 20 0 CEADMP Cc1ccc2c(c1)C[N@H+](CCn1ccnc1)CCO2 ZINC000285750992 196387046 /nfs/dbraw/zinc/38/70/46/196387046.db2.gz YTWAGJMUMFTIEQ-UHFFFAOYSA-N 2 1 257.337 2.086 20 0 CEADMP Cc1ccc2c(c1)CN(CCn1ccnc1)CCO2 ZINC000285750992 196387047 /nfs/dbraw/zinc/38/70/47/196387047.db2.gz YTWAGJMUMFTIEQ-UHFFFAOYSA-N 2 1 257.337 2.086 20 0 CEADMP CCOCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515644 173247766 /nfs/dbraw/zinc/24/77/66/173247766.db2.gz NKOVWDJILQVLLO-UHFFFAOYSA-N 2 1 276.424 2.320 20 0 CEADMP C[NH2+]C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000037536879 173255472 /nfs/dbraw/zinc/25/54/72/173255472.db2.gz QZUWCWXYGUDSKR-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP CCC[NH+]1CCC(NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040620976 174354582 /nfs/dbraw/zinc/35/45/82/174354582.db2.gz VIHPMLBGOCBQMR-HNNXBMFYSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000040620976 174354583 /nfs/dbraw/zinc/35/45/83/174354583.db2.gz VIHPMLBGOCBQMR-HNNXBMFYSA-N 3 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040620976 174354585 /nfs/dbraw/zinc/35/45/85/174354585.db2.gz VIHPMLBGOCBQMR-HNNXBMFYSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)[C@@H]1CC[NH3+] ZINC000404271831 414778367 /nfs/dbraw/zinc/77/83/67/414778367.db2.gz LCVALVCIUPIKRO-DZGCQCFKSA-N 2 1 290.407 2.407 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404341059 414781021 /nfs/dbraw/zinc/78/10/21/414781021.db2.gz DUXQEJLTZGTTRG-ARFHVFGLSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1CCC[N@H+](CC(=O)N(C)C2CCCCC2)[C@H]1CC[NH3+] ZINC000404350223 414781088 /nfs/dbraw/zinc/78/10/88/414781088.db2.gz IULIPMKEEMKRLE-ZBFHGGJFSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CCCCC2)[C@H]1CC[NH3+] ZINC000404350223 414781092 /nfs/dbraw/zinc/78/10/92/414781092.db2.gz IULIPMKEEMKRLE-ZBFHGGJFSA-N 2 1 295.471 2.227 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000121405383 414785457 /nfs/dbraw/zinc/78/54/57/414785457.db2.gz IESDOARSPFNNMU-JONQDZQNSA-N 2 1 278.440 2.266 20 0 CEADMP C[N@H+](Cc1cccc(Br)c1)C[C@H]1CC[NH2+]C1 ZINC000051890011 414748215 /nfs/dbraw/zinc/74/82/15/414748215.db2.gz DMSFEDTWZNVFHU-LBPRGKRZSA-N 2 1 283.213 2.490 20 0 CEADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000660373676 414790008 /nfs/dbraw/zinc/79/00/08/414790008.db2.gz PYKYABQDJRXDDC-NEPJUHHUSA-N 2 1 284.366 2.254 20 0 CEADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660373676 414790011 /nfs/dbraw/zinc/79/00/11/414790011.db2.gz PYKYABQDJRXDDC-NEPJUHHUSA-N 2 1 284.366 2.254 20 0 CEADMP CC[C@@H]1C[N@H+](CCOc2ccccc2F)CC[C@@H]1[NH3+] ZINC000122892476 414790614 /nfs/dbraw/zinc/79/06/14/414790614.db2.gz ATRREGDGRDAUKU-OCCSQVGLSA-N 2 1 266.360 2.264 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOc2ccccc2F)CC[C@@H]1[NH3+] ZINC000122892476 414790620 /nfs/dbraw/zinc/79/06/20/414790620.db2.gz ATRREGDGRDAUKU-OCCSQVGLSA-N 2 1 266.360 2.264 20 0 CEADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2F)CC[C@@H]1[NH3+] ZINC000122888789 414791701 /nfs/dbraw/zinc/79/17/01/414791701.db2.gz BDMIKFVMUMUKOK-JSGCOSHPSA-N 2 1 293.386 2.214 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000125108382 414796207 /nfs/dbraw/zinc/79/62/07/414796207.db2.gz AKXDICIQMAKFBV-KKUMJFAQSA-N 2 1 264.413 2.018 20 0 CEADMP Cc1cccc2c1CN(C[C@@H](O)C[N@H+](C)C(C)C)CC2 ZINC000660416090 414808430 /nfs/dbraw/zinc/80/84/30/414808430.db2.gz CGZRYBGEAQJLKV-INIZCTEOSA-N 2 1 276.424 2.054 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657335900 414866109 /nfs/dbraw/zinc/86/61/09/414866109.db2.gz UOHACADPVFTGGI-ZDUSSCGKSA-N 2 1 276.428 2.117 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657335900 414866113 /nfs/dbraw/zinc/86/61/13/414866113.db2.gz UOHACADPVFTGGI-ZDUSSCGKSA-N 2 1 276.428 2.117 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000133055245 414826498 /nfs/dbraw/zinc/82/64/98/414826498.db2.gz VYYGMIXEZUPJGC-UHFFFAOYSA-N 2 1 262.397 2.143 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)C1 ZINC000660452725 414826350 /nfs/dbraw/zinc/82/63/50/414826350.db2.gz BNMFKAMXOUBNBJ-CABCVRRESA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000660452725 414826356 /nfs/dbraw/zinc/82/63/56/414826356.db2.gz BNMFKAMXOUBNBJ-CABCVRRESA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000660452725 414826364 /nfs/dbraw/zinc/82/63/64/414826364.db2.gz BNMFKAMXOUBNBJ-CABCVRRESA-N 2 1 270.461 2.446 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)CC[C@@H]1[NH3+] ZINC000134105073 414830266 /nfs/dbraw/zinc/83/02/66/414830266.db2.gz SGEFHBQGTUXGNU-OCCSQVGLSA-N 2 1 266.360 2.394 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)CC[C@@H]1[NH3+] ZINC000134105073 414830272 /nfs/dbraw/zinc/83/02/72/414830272.db2.gz SGEFHBQGTUXGNU-OCCSQVGLSA-N 2 1 266.360 2.394 20 0 CEADMP Cc1cccc(C)c1NC(=O)C[NH2+]Cc1cnc2n1CCC2 ZINC000657291207 414836155 /nfs/dbraw/zinc/83/61/55/414836155.db2.gz YBBAEJBEDSWCBH-UHFFFAOYSA-N 2 1 298.390 2.174 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653113596 414911338 /nfs/dbraw/zinc/91/13/38/414911338.db2.gz HZJYROXHIRDIPX-JKSUJKDBSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1cccc(CCN2CCC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000660664733 414923800 /nfs/dbraw/zinc/92/38/00/414923800.db2.gz RVNSOYWQODYHLQ-KRWDZBQOSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1cccc(CC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000660664733 414923802 /nfs/dbraw/zinc/92/38/02/414923802.db2.gz RVNSOYWQODYHLQ-KRWDZBQOSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1cccc(CC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000660664733 414923807 /nfs/dbraw/zinc/92/38/07/414923807.db2.gz RVNSOYWQODYHLQ-KRWDZBQOSA-N 2 1 273.424 2.350 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CCC(C)(C)O1)C2 ZINC000660660737 414924597 /nfs/dbraw/zinc/92/45/97/414924597.db2.gz AMWCQQHGNODFNP-ZBFHGGJFSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H]1CCC(C)(C)O1)C2 ZINC000660660737 414924603 /nfs/dbraw/zinc/92/46/03/414924603.db2.gz AMWCQQHGNODFNP-ZBFHGGJFSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H]1CCC(C)(C)O1)C2 ZINC000660660737 414924609 /nfs/dbraw/zinc/92/46/09/414924609.db2.gz AMWCQQHGNODFNP-ZBFHGGJFSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H](CC[NH2+]Cc1cnn2c1CCC2)[NH+]1CCCCC1 ZINC000657432559 414934262 /nfs/dbraw/zinc/93/42/62/414934262.db2.gz HEDSGDWOOOWRBY-AWEZNQCLSA-N 2 1 276.428 2.183 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000653176495 414937068 /nfs/dbraw/zinc/93/70/68/414937068.db2.gz WQFUUFMJVXYWJB-MRXNPFEDSA-N 2 1 297.487 2.378 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000653176310 414937725 /nfs/dbraw/zinc/93/77/25/414937725.db2.gz PVKPZVQSLIZIGK-CVEARBPZSA-N 2 1 297.487 2.378 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nccn1C(C)C ZINC000657347427 414873372 /nfs/dbraw/zinc/87/33/72/414873372.db2.gz QTKXBCZEVNXCKP-ZDUSSCGKSA-N 2 1 275.400 2.395 20 0 CEADMP C[NH+]1CCC(CC[NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000657348373 414877092 /nfs/dbraw/zinc/87/70/92/414877092.db2.gz UBLDYLAJXUFSOX-UHFFFAOYSA-N 2 1 299.422 2.089 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000663513198 414979194 /nfs/dbraw/zinc/97/91/94/414979194.db2.gz JPGMXZIUSPDURF-RYUDHWBXSA-N 2 1 260.385 2.082 20 0 CEADMP CN(C)c1cc[nH+]cc1CN[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657561953 415003466 /nfs/dbraw/zinc/00/34/66/415003466.db2.gz DUWCCWWQTWYNHW-CQSZACIVSA-N 2 1 276.428 2.110 20 0 CEADMP CN(C)c1cc[nH+]cc1CN[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657561953 415003471 /nfs/dbraw/zinc/00/34/71/415003471.db2.gz DUWCCWWQTWYNHW-CQSZACIVSA-N 2 1 276.428 2.110 20 0 CEADMP C[C@@H](C(=O)NCC[NH+]1CCCC1(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000654535542 414962340 /nfs/dbraw/zinc/96/23/40/414962340.db2.gz LGUYTRZODDUPSX-ZNMIVQPWSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@@H](C(=O)NCC[N@@H+]1CCCC1(C)C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000654535542 414962344 /nfs/dbraw/zinc/96/23/44/414962344.db2.gz LGUYTRZODDUPSX-ZNMIVQPWSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@@H](C(=O)NCC[N@H+]1CCCC1(C)C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000654535542 414962349 /nfs/dbraw/zinc/96/23/49/414962349.db2.gz LGUYTRZODDUPSX-ZNMIVQPWSA-N 2 1 295.471 2.238 20 0 CEADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C(C)C ZINC000663466911 414962552 /nfs/dbraw/zinc/96/25/52/414962552.db2.gz BGDWRADEJCBAII-CVEARBPZSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)CC[N@H+]1C ZINC000663471299 414965971 /nfs/dbraw/zinc/96/59/71/414965971.db2.gz XKBUVLMZMNXFMH-PVAVHDDUSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC[NH+]1C ZINC000663471299 414965980 /nfs/dbraw/zinc/96/59/80/414965980.db2.gz XKBUVLMZMNXFMH-PVAVHDDUSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)CC[N@@H+]1C ZINC000663471299 414965984 /nfs/dbraw/zinc/96/59/84/414965984.db2.gz XKBUVLMZMNXFMH-PVAVHDDUSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)CC[N@H+]1C ZINC000663471299 414965989 /nfs/dbraw/zinc/96/59/89/414965989.db2.gz XKBUVLMZMNXFMH-PVAVHDDUSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC[NH+]1C ZINC000663471299 414965995 /nfs/dbraw/zinc/96/59/95/414965995.db2.gz XKBUVLMZMNXFMH-PVAVHDDUSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC[NH+]1C ZINC000663471299 414966000 /nfs/dbraw/zinc/96/60/00/414966000.db2.gz XKBUVLMZMNXFMH-PVAVHDDUSA-N 3 1 279.472 2.181 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000653608590 415051880 /nfs/dbraw/zinc/05/18/80/415051880.db2.gz XPCVSUSBHYYMCO-ZJIFWQFVSA-N 2 1 270.461 2.349 20 0 CEADMP CCC[C@@H](C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751000 415068437 /nfs/dbraw/zinc/06/84/37/415068437.db2.gz MPOATFUPTBOCPV-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP CO[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)C1CCCC1 ZINC000657767751 415075140 /nfs/dbraw/zinc/07/51/40/415075140.db2.gz QVFVBDSASPIEBD-INIZCTEOSA-N 2 1 277.412 2.442 20 0 CEADMP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000657789271 415078951 /nfs/dbraw/zinc/07/89/51/415078951.db2.gz OAEDAOCGHIOZOJ-SJORKVTESA-N 2 1 274.408 2.418 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661090398 415091376 /nfs/dbraw/zinc/09/13/76/415091376.db2.gz CXAWWGCOUSEXMC-KRWDZBQOSA-N 2 1 287.407 2.117 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661090398 415091379 /nfs/dbraw/zinc/09/13/79/415091379.db2.gz CXAWWGCOUSEXMC-KRWDZBQOSA-N 2 1 287.407 2.117 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@H+](C[C@H](O)C[NH+](C)CC)C1CC1 ZINC000653547330 415030521 /nfs/dbraw/zinc/03/05/21/415030521.db2.gz HRUNHXDSMPYCEI-GZBFAFLISA-N 2 1 256.434 2.198 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@@H+](C[C@H](O)C[NH+](C)CC)C1CC1 ZINC000653547330 415030524 /nfs/dbraw/zinc/03/05/24/415030524.db2.gz HRUNHXDSMPYCEI-GZBFAFLISA-N 2 1 256.434 2.198 20 0 CEADMP CC[C@H](C)[C@@H](C)[NH+](C[C@H](O)C[N@H+](C)CC)C1CC1 ZINC000653547330 415030527 /nfs/dbraw/zinc/03/05/27/415030527.db2.gz HRUNHXDSMPYCEI-GZBFAFLISA-N 2 1 256.434 2.198 20 0 CEADMP CC[C@H](C)[C@@H](C)[NH+](C[C@H](O)C[N@@H+](C)CC)C1CC1 ZINC000653547330 415030528 /nfs/dbraw/zinc/03/05/28/415030528.db2.gz HRUNHXDSMPYCEI-GZBFAFLISA-N 2 1 256.434 2.198 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000657838735 415100505 /nfs/dbraw/zinc/10/05/05/415100505.db2.gz XTAKBKSATKBMJH-GVDBMIGSSA-N 2 1 296.455 2.035 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000657838735 415100508 /nfs/dbraw/zinc/10/05/08/415100508.db2.gz XTAKBKSATKBMJH-GVDBMIGSSA-N 2 1 296.455 2.035 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657842295 415102945 /nfs/dbraw/zinc/10/29/45/415102945.db2.gz ANNPTHWGDOKAGE-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C(C)(C)C(F)F ZINC000657847094 415105637 /nfs/dbraw/zinc/10/56/37/415105637.db2.gz RTXXKNQDRNGYBV-NSHDSACASA-N 2 1 278.387 2.103 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657873839 415110838 /nfs/dbraw/zinc/11/08/38/415110838.db2.gz ZJLNHPWJVXWGHQ-INIZCTEOSA-N 2 1 299.528 2.135 20 0 CEADMP CCOC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000657892777 415117069 /nfs/dbraw/zinc/11/70/69/415117069.db2.gz YLINZPLXKCLXQH-FEWQNLEASA-N 2 1 254.418 2.406 20 0 CEADMP CCOC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000657892777 415117075 /nfs/dbraw/zinc/11/70/75/415117075.db2.gz YLINZPLXKCLXQH-FEWQNLEASA-N 2 1 254.418 2.406 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CC(OC)C2)[C@H](C)C1 ZINC000658061987 415180827 /nfs/dbraw/zinc/18/08/27/415180827.db2.gz QHMBFIQZKHDKRQ-XSCHDIRWSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000658034815 415166722 /nfs/dbraw/zinc/16/67/22/415166722.db2.gz JGKXQFZSXBSDJH-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000658063442 415182343 /nfs/dbraw/zinc/18/23/43/415182343.db2.gz VPFYIZQDBQWHBG-VGWMRTNUSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000658063442 415182348 /nfs/dbraw/zinc/18/23/48/415182348.db2.gz VPFYIZQDBQWHBG-VGWMRTNUSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000658063442 415182351 /nfs/dbraw/zinc/18/23/51/415182351.db2.gz VPFYIZQDBQWHBG-VGWMRTNUSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000658063442 415182354 /nfs/dbraw/zinc/18/23/54/415182354.db2.gz VPFYIZQDBQWHBG-VGWMRTNUSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000658063442 415182357 /nfs/dbraw/zinc/18/23/57/415182357.db2.gz VPFYIZQDBQWHBG-VGWMRTNUSA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)[NH+]1CCC(NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658059822 415184751 /nfs/dbraw/zinc/18/47/51/415184751.db2.gz XHSQBBSDYCAKKI-OAHLLOKOSA-N 2 1 267.461 2.322 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCN2C(C)(C)C)CC1 ZINC000658059822 415184758 /nfs/dbraw/zinc/18/47/58/415184758.db2.gz XHSQBBSDYCAKKI-OAHLLOKOSA-N 2 1 267.461 2.322 20 0 CEADMP c1cc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)co1 ZINC000658198574 415255597 /nfs/dbraw/zinc/25/55/97/415255597.db2.gz KNKQBJZEWCQXMV-MRXNPFEDSA-N 2 1 278.396 2.055 20 0 CEADMP COCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229211 415264751 /nfs/dbraw/zinc/26/47/51/415264751.db2.gz PMEORWCTJJCCGC-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP COCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229211 415264759 /nfs/dbraw/zinc/26/47/59/415264759.db2.gz PMEORWCTJJCCGC-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661490207 415284969 /nfs/dbraw/zinc/28/49/69/415284969.db2.gz DINIBQSJQQFPAB-ZFWWWQNUSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661490207 415284976 /nfs/dbraw/zinc/28/49/76/415284976.db2.gz DINIBQSJQQFPAB-ZFWWWQNUSA-N 2 1 265.401 2.065 20 0 CEADMP CC1CC([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000658134786 415223788 /nfs/dbraw/zinc/22/37/88/415223788.db2.gz BZIBNGQLRCNHNP-IMRCBTMISA-N 2 1 274.408 2.141 20 0 CEADMP NC(=O)CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCCC1 ZINC000658343577 415326968 /nfs/dbraw/zinc/32/69/68/415326968.db2.gz OUMLSCPCYUZWDA-UHFFFAOYSA-N 2 1 293.455 2.029 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2Cc2ccccc2)CC[N@H+]1C ZINC000658348169 415330324 /nfs/dbraw/zinc/33/03/24/415330324.db2.gz NHLSCBCXKWFBPS-BPQIPLTHSA-N 2 1 287.451 2.333 20 0 CEADMP CN(C[C@@H](O)C[N@H+]1CC[C@H](C2CCCCC2)C1)C1CC1 ZINC000661579593 415336212 /nfs/dbraw/zinc/33/62/12/415336212.db2.gz XWWXSTCIQWXUGH-DOTOQJQBSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](C2CCCCC2)C1)C1CC1 ZINC000661579593 415336218 /nfs/dbraw/zinc/33/62/18/415336218.db2.gz XWWXSTCIQWXUGH-DOTOQJQBSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](C2CCCCC2)C1)C1CC1 ZINC000661579593 415336226 /nfs/dbraw/zinc/33/62/26/415336226.db2.gz XWWXSTCIQWXUGH-DOTOQJQBSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](C2CCCCC2)C1)C1CC1 ZINC000661579593 415336233 /nfs/dbraw/zinc/33/62/33/415336233.db2.gz XWWXSTCIQWXUGH-DOTOQJQBSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](C2CCCCC2)C1)C1CC1 ZINC000661579593 415336237 /nfs/dbraw/zinc/33/62/37/415336237.db2.gz XWWXSTCIQWXUGH-DOTOQJQBSA-N 2 1 280.456 2.344 20 0 CEADMP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655694106 415393610 /nfs/dbraw/zinc/39/36/10/415393610.db2.gz ZOYRIRFGOCRWCM-QGZVFWFLSA-N 2 1 274.408 2.338 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](CCF)C2)CC1 ZINC000661691031 415402877 /nfs/dbraw/zinc/40/28/77/415402877.db2.gz QNSAZNBQORDSFB-QGZVFWFLSA-N 2 1 299.478 2.474 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CS1 ZINC000655712831 415405740 /nfs/dbraw/zinc/40/57/40/415405740.db2.gz VZFIEIICRNDYGO-RBSFLKMASA-N 2 1 286.485 2.097 20 0 CEADMP CCCCOCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655679855 415382842 /nfs/dbraw/zinc/38/28/42/415382842.db2.gz GGEOLXZMWJRGLD-KRWDZBQOSA-N 2 1 298.471 2.426 20 0 CEADMP CC/C=C/C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772442 415450777 /nfs/dbraw/zinc/45/07/77/415450777.db2.gz IOGHNFHVPADUHE-BWPKMQGJSA-N 2 1 252.402 2.186 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCn3ccnc32)C1 ZINC000655776406 415455435 /nfs/dbraw/zinc/45/54/35/415455435.db2.gz JDHDFMSVOBJPBU-ZIAGYGMSSA-N 2 1 262.401 2.040 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CS1 ZINC000655776662 415456098 /nfs/dbraw/zinc/45/60/98/415456098.db2.gz KQOBZOYFJHSFNJ-SNPRPXQTSA-N 2 1 284.469 2.113 20 0 CEADMP CO[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)CC(C)C ZINC000655777326 415459620 /nfs/dbraw/zinc/45/96/20/415459620.db2.gz TXIUOASJRNRZFS-SJORKVTESA-N 2 1 298.471 2.281 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](CCc2noc3ccccc32)C1 ZINC000655936968 415556840 /nfs/dbraw/zinc/55/68/40/415556840.db2.gz RIRQWOUCXVLZHG-CYBMUJFWSA-N 2 1 273.380 2.302 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2noc3ccccc32)C1 ZINC000655936968 415556848 /nfs/dbraw/zinc/55/68/48/415556848.db2.gz RIRQWOUCXVLZHG-CYBMUJFWSA-N 2 1 273.380 2.302 20 0 CEADMP C(C[N@H+]1CCC[C@@H](OC2CCC2)C1)C1CC[NH2+]CC1 ZINC000655946766 415558595 /nfs/dbraw/zinc/55/85/95/415558595.db2.gz NBCKINGDMMVWKY-MRXNPFEDSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@](C[NH3+])([NH2+]CCc1noc2ccccc12)C1CC1 ZINC000655938513 415559404 /nfs/dbraw/zinc/55/94/04/415559404.db2.gz WSWHZHUWGFNECN-HNNXBMFYSA-N 2 1 259.353 2.087 20 0 CEADMP COc1c(C)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000656200302 415637067 /nfs/dbraw/zinc/63/70/67/415637067.db2.gz LIWUJQGEWUHLEI-YIONKMFJSA-N 2 1 260.381 2.376 20 0 CEADMP CC[C@@H]([NH2+]CCc1ncc(C)cc1C)[C@@H]1CCC[NH2+]1 ZINC000656201767 415637306 /nfs/dbraw/zinc/63/73/06/415637306.db2.gz YPZWVWAECNUIMV-ZBFHGGJFSA-N 2 1 261.413 2.361 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665236881 415639636 /nfs/dbraw/zinc/63/96/36/415639636.db2.gz WAJQBJZQKLPCDI-DZGCQCFKSA-N 2 1 290.455 2.372 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000665236881 415639641 /nfs/dbraw/zinc/63/96/41/415639641.db2.gz WAJQBJZQKLPCDI-DZGCQCFKSA-N 2 1 290.455 2.372 20 0 CEADMP Cn1c2ccccc2[nH+]c1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656212030 415643255 /nfs/dbraw/zinc/64/32/55/415643255.db2.gz WZSMHBKWROLEGD-TXEJJXNPSA-N 2 1 258.369 2.325 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N[C@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000665242048 415645306 /nfs/dbraw/zinc/64/53/06/415645306.db2.gz IXVQGLHMUALNIO-CADBVGFASA-N 2 1 299.462 2.239 20 0 CEADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000665252622 415649735 /nfs/dbraw/zinc/64/97/35/415649735.db2.gz UUEVOBFZXAPAMQ-NTZUZEMLSA-N 3 1 299.462 2.110 20 0 CEADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCCOCC2)cc1 ZINC000665250892 415650135 /nfs/dbraw/zinc/65/01/35/415650135.db2.gz BDJSTWCESGWVAR-GVDBMIGSSA-N 2 1 274.408 2.291 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000662159673 415660693 /nfs/dbraw/zinc/66/06/93/415660693.db2.gz CADPFRYMFJKKQF-GUTXKFCHSA-N 2 1 254.418 2.095 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000662159673 415660698 /nfs/dbraw/zinc/66/06/98/415660698.db2.gz CADPFRYMFJKKQF-GUTXKFCHSA-N 2 1 254.418 2.095 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000662159673 415660703 /nfs/dbraw/zinc/66/07/03/415660703.db2.gz CADPFRYMFJKKQF-GUTXKFCHSA-N 2 1 254.418 2.095 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000662159673 415660709 /nfs/dbraw/zinc/66/07/09/415660709.db2.gz CADPFRYMFJKKQF-GUTXKFCHSA-N 2 1 254.418 2.095 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000665274680 415665504 /nfs/dbraw/zinc/66/55/04/415665504.db2.gz VTZDYWUYFPCDBU-HUUCEWRRSA-N 2 1 276.428 2.437 20 0 CEADMP CC[C@H]([NH2+]C[C@H](OC)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000665276187 415667038 /nfs/dbraw/zinc/66/70/38/415667038.db2.gz ZUGZCWMTWZGAAK-KKUMJFAQSA-N 2 1 254.418 2.312 20 0 CEADMP CCCCO[C@@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1(C)C ZINC000665278363 415670105 /nfs/dbraw/zinc/67/01/05/415670105.db2.gz CBOCPQLHKSNNAH-IOSBVQAASA-N 2 1 266.429 2.312 20 0 CEADMP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665278052 415670950 /nfs/dbraw/zinc/67/09/50/415670950.db2.gz UCDOVYPWNBFTOG-JWFMREHNSA-N 2 1 286.419 2.496 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000665282932 415672426 /nfs/dbraw/zinc/67/24/26/415672426.db2.gz DZLJJSFYNLEDCT-CMPLNLGQSA-N 2 1 298.333 2.486 20 0 CEADMP CO[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283964 415673633 /nfs/dbraw/zinc/67/36/33/415673633.db2.gz XWUIIZQGUYXFKQ-CFVMTHIKSA-N 2 1 254.418 2.312 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000665295788 415682090 /nfs/dbraw/zinc/68/20/90/415682090.db2.gz IXFBIKQEWFHWEE-AVGNSLFASA-N 2 1 250.386 2.385 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000665295789 415683208 /nfs/dbraw/zinc/68/32/08/415683208.db2.gz IXFBIKQEWFHWEE-RWMBFGLXSA-N 2 1 250.386 2.385 20 0 CEADMP FC(F)(F)c1ccncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665299854 415687483 /nfs/dbraw/zinc/68/74/83/415687483.db2.gz UKZJMIVWPVFOQO-FOSCPWQOSA-N 2 1 285.313 2.473 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071146421 176042722 /nfs/dbraw/zinc/04/27/22/176042722.db2.gz GIKRDXAOGSRRII-CQSZACIVSA-N 2 1 278.396 2.005 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000071147578 176043266 /nfs/dbraw/zinc/04/32/66/176043266.db2.gz IDMNFOMOJGDXME-AWEZNQCLSA-N 2 1 255.365 2.276 20 0 CEADMP C[N@@H+](Cc1ccc(F)cc1Cl)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255793 415719863 /nfs/dbraw/zinc/71/98/63/415719863.db2.gz DHTJUOLTFYYCIJ-CYBMUJFWSA-N 2 1 298.789 2.432 20 0 CEADMP C[N@H+](Cc1ccc(F)cc1Cl)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255793 415719869 /nfs/dbraw/zinc/71/98/69/415719869.db2.gz DHTJUOLTFYYCIJ-CYBMUJFWSA-N 2 1 298.789 2.432 20 0 CEADMP CC[N@@H+](Cc1c(F)cccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257804 415723195 /nfs/dbraw/zinc/72/31/95/415723195.db2.gz QEFHOXQAXQFQAC-LBPRGKRZSA-N 2 1 296.361 2.308 20 0 CEADMP CC[N@H+](Cc1c(F)cccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257804 415723199 /nfs/dbraw/zinc/72/31/99/415723199.db2.gz QEFHOXQAXQFQAC-LBPRGKRZSA-N 2 1 296.361 2.308 20 0 CEADMP Cc1ccc(C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662256991 415723431 /nfs/dbraw/zinc/72/34/31/415723431.db2.gz LDGLUTRAJMYRGC-GFCCVEGCSA-N 2 1 266.410 2.009 20 0 CEADMP CC1(C)CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256473 415724629 /nfs/dbraw/zinc/72/46/29/415724629.db2.gz JQXBECHCTTVRNX-ZDUSSCGKSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CCN1C ZINC000662261853 415729575 /nfs/dbraw/zinc/72/95/75/415729575.db2.gz BKXKXKTYZOWMRV-WMLDXEAASA-N 2 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@H](N(C)Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1C ZINC000662261853 415729581 /nfs/dbraw/zinc/72/95/81/415729581.db2.gz BKXKXKTYZOWMRV-WMLDXEAASA-N 2 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@H](N(C)Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1C ZINC000662261853 415729583 /nfs/dbraw/zinc/72/95/83/415729583.db2.gz BKXKXKTYZOWMRV-WMLDXEAASA-N 2 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1C ZINC000662261853 415729587 /nfs/dbraw/zinc/72/95/87/415729587.db2.gz BKXKXKTYZOWMRV-WMLDXEAASA-N 3 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1C ZINC000662261853 415729591 /nfs/dbraw/zinc/72/95/91/415729591.db2.gz BKXKXKTYZOWMRV-WMLDXEAASA-N 3 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CC[NH+]1C ZINC000662261853 415729594 /nfs/dbraw/zinc/72/95/94/415729594.db2.gz BKXKXKTYZOWMRV-WMLDXEAASA-N 3 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CC[NH+]1C ZINC000662261853 415729597 /nfs/dbraw/zinc/72/95/97/415729597.db2.gz BKXKXKTYZOWMRV-WMLDXEAASA-N 3 1 287.451 2.247 20 0 CEADMP CO[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000662264291 415730072 /nfs/dbraw/zinc/73/00/72/415730072.db2.gz HWLCSYFOCJWMKV-QXULXFAOSA-N 2 1 266.429 2.406 20 0 CEADMP c1ccc(C[C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248466 415709975 /nfs/dbraw/zinc/70/99/75/415709975.db2.gz CDSRCKVBLZOAQF-SJORKVTESA-N 2 1 286.419 2.215 20 0 CEADMP C[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248589 415711399 /nfs/dbraw/zinc/71/13/99/415711399.db2.gz GVAFPNPNUVABPP-SNVBAGLBSA-N 2 1 286.828 2.354 20 0 CEADMP Fc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248456 415711446 /nfs/dbraw/zinc/71/14/46/415711446.db2.gz CADOTQSPBJKAPI-HZPDHXFCSA-N 2 1 290.382 2.484 20 0 CEADMP c1cc(N2CC[NH+](CCOCC3CCCC3)CC2)cc[nH+]1 ZINC000656456536 415715628 /nfs/dbraw/zinc/71/56/28/415715628.db2.gz WDNOAJDKGONPAQ-UHFFFAOYSA-N 2 1 289.423 2.410 20 0 CEADMP CC[C@@H](CC(F)F)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000662274844 415743052 /nfs/dbraw/zinc/74/30/52/415743052.db2.gz XPFRNNGZDFHEQM-QWHCGFSZSA-N 2 1 290.398 2.355 20 0 CEADMP CC[C@H]1Cc2ccccc2C[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662279658 415747235 /nfs/dbraw/zinc/74/72/35/415747235.db2.gz WNVHQWPHSNQXPB-DLBZAZTESA-N 2 1 286.419 2.344 20 0 CEADMP OCC[C@@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662299124 415761497 /nfs/dbraw/zinc/76/14/97/415761497.db2.gz KWWVGTSUNHQCLR-INIZCTEOSA-N 2 1 274.408 2.069 20 0 CEADMP CSc1ccccc1NC(=O)CC[N@H+](C)CC(C)(C)[NH3+] ZINC000662297891 415761873 /nfs/dbraw/zinc/76/18/73/415761873.db2.gz RVYNNOMGHXHBAJ-UHFFFAOYSA-N 2 1 295.452 2.406 20 0 CEADMP CSc1ccccc1NC(=O)CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000662297891 415761877 /nfs/dbraw/zinc/76/18/77/415761877.db2.gz RVYNNOMGHXHBAJ-UHFFFAOYSA-N 2 1 295.452 2.406 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)[C@@H]1CCC[NH3+] ZINC000662312395 415772167 /nfs/dbraw/zinc/77/21/67/415772167.db2.gz BVFJUMTVLJFZIK-DGCLKSJQSA-N 2 1 278.400 2.286 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310832 415772754 /nfs/dbraw/zinc/77/27/54/415772754.db2.gz NPSJSZLTISOBEC-CALCHBBNSA-N 2 1 289.423 2.474 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310832 415772758 /nfs/dbraw/zinc/77/27/58/415772758.db2.gz NPSJSZLTISOBEC-CALCHBBNSA-N 2 1 289.423 2.474 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000662315031 415773613 /nfs/dbraw/zinc/77/36/13/415773613.db2.gz JTHLSQCHXGPACF-SOUVJXGZSA-N 2 1 260.381 2.079 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCC2)[C@@H]1CCC[NH3+] ZINC000662313674 415774699 /nfs/dbraw/zinc/77/46/99/415774699.db2.gz VOIAEQNHBRAZEM-GDBMZVCRSA-N 2 1 295.471 2.275 20 0 CEADMP CCCn1ncnc1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315681 415774716 /nfs/dbraw/zinc/77/47/16/415774716.db2.gz INUHGRODQVIDLG-ZIAGYGMSSA-N 2 1 279.432 2.028 20 0 CEADMP CCCCCNC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662317840 415776737 /nfs/dbraw/zinc/77/67/37/415776737.db2.gz SWSSJQPFDLOOPC-HUUCEWRRSA-N 2 1 283.460 2.132 20 0 CEADMP CC(C)[N@H+]1CCCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000659873403 415754242 /nfs/dbraw/zinc/75/42/42/415754242.db2.gz OAWPUYXCFPCGCO-IAGOWNOFSA-N 2 1 281.488 2.380 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292718 415755095 /nfs/dbraw/zinc/75/50/95/415755095.db2.gz HWSBDNCOUFGMBM-MRXNPFEDSA-N 2 1 290.455 2.064 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292718 415755100 /nfs/dbraw/zinc/75/51/00/415755100.db2.gz HWSBDNCOUFGMBM-MRXNPFEDSA-N 3 1 290.455 2.064 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292718 415755104 /nfs/dbraw/zinc/75/51/04/415755104.db2.gz HWSBDNCOUFGMBM-MRXNPFEDSA-N 3 1 290.455 2.064 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000662292781 415755301 /nfs/dbraw/zinc/75/53/01/415755301.db2.gz MCHQQLPJHWPKCX-UHFFFAOYSA-N 2 1 281.375 2.132 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)CC(C)(C)[NH3+] ZINC000662292781 415755307 /nfs/dbraw/zinc/75/53/07/415755307.db2.gz MCHQQLPJHWPKCX-UHFFFAOYSA-N 2 1 281.375 2.132 20 0 CEADMP Cc1cnc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000662292289 415755714 /nfs/dbraw/zinc/75/57/14/415755714.db2.gz DASAFLJPKPBEDN-AWEZNQCLSA-N 2 1 263.385 2.195 20 0 CEADMP CC(C)NC(=O)[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000662318321 415777707 /nfs/dbraw/zinc/77/77/07/415777707.db2.gz YXYVUDFFHDOITI-MRXNPFEDSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](C3CCC3)CC2)C1 ZINC000659927602 415788451 /nfs/dbraw/zinc/78/84/51/415788451.db2.gz KQLJGLIQDVNAGU-IYBDPMFKSA-N 2 1 279.472 2.134 20 0 CEADMP CN(Cc1cnc2ccccc2n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000659945339 415798690 /nfs/dbraw/zinc/79/86/90/415798690.db2.gz AXJZPGFHPYDAAR-AWEZNQCLSA-N 2 1 284.407 2.403 20 0 CEADMP CO[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CCCC1 ZINC000659947749 415799809 /nfs/dbraw/zinc/79/98/09/415799809.db2.gz NEMQVPXIIUTIJD-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000659947749 415799816 /nfs/dbraw/zinc/79/98/16/415799816.db2.gz NEMQVPXIIUTIJD-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000659947749 415799823 /nfs/dbraw/zinc/79/98/23/415799823.db2.gz NEMQVPXIIUTIJD-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP C[N@H+](CCO[C@@H]1CC1(F)F)CC[C@H]1CCCC[NH+]1C ZINC000659961494 415811665 /nfs/dbraw/zinc/81/16/65/415811665.db2.gz PIZQGOPBSBUTKK-CHWSQXEVSA-N 2 1 276.371 2.217 20 0 CEADMP C[N@@H+](CCO[C@@H]1CC1(F)F)CC[C@H]1CCCC[NH+]1C ZINC000659961494 415811672 /nfs/dbraw/zinc/81/16/72/415811672.db2.gz PIZQGOPBSBUTKK-CHWSQXEVSA-N 2 1 276.371 2.217 20 0 CEADMP C[NH+](CCO[C@@H]1CC1(F)F)CC[C@H]1CCCC[N@@H+]1C ZINC000659961494 415811679 /nfs/dbraw/zinc/81/16/79/415811679.db2.gz PIZQGOPBSBUTKK-CHWSQXEVSA-N 2 1 276.371 2.217 20 0 CEADMP C[NH+](CCO[C@@H]1CC1(F)F)CC[C@H]1CCCC[N@H+]1C ZINC000659961494 415811685 /nfs/dbraw/zinc/81/16/85/415811685.db2.gz PIZQGOPBSBUTKK-CHWSQXEVSA-N 2 1 276.371 2.217 20 0 CEADMP COc1ccc([C@H](C)N(C)C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000656693604 415816979 /nfs/dbraw/zinc/81/69/79/415816979.db2.gz BQCLJEJXAVNYLP-GOEBONIOSA-N 2 1 294.439 2.389 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000659974855 415818763 /nfs/dbraw/zinc/81/87/63/415818763.db2.gz KJKKRZOOVAQTFF-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CN(Cc1cnc[nH]1)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000662586347 415894924 /nfs/dbraw/zinc/89/49/24/415894924.db2.gz SGIIYWXKDIQPPM-CQSZACIVSA-N 2 1 292.427 2.446 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662592246 415896208 /nfs/dbraw/zinc/89/62/08/415896208.db2.gz IIDDKHKFEJLDEP-UONOGXRCSA-N 2 1 297.487 2.247 20 0 CEADMP C[C@@H]1C[N@@H+](CCC2CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660155211 415907721 /nfs/dbraw/zinc/90/77/21/415907721.db2.gz MRKKHJDYXRHMGE-WBVHZDCISA-N 2 1 279.472 2.134 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000662622103 415908814 /nfs/dbraw/zinc/90/88/14/415908814.db2.gz OMURRCHOQNPGJT-SWLSCSKDSA-N 2 1 289.423 2.309 20 0 CEADMP O=C(CC[C@@H]1CCC[NH2+]1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667969 415926827 /nfs/dbraw/zinc/92/68/27/415926827.db2.gz FKASAYYSFKQFBR-LSDHHAIUSA-N 2 1 293.455 2.042 20 0 CEADMP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000662461013 415852989 /nfs/dbraw/zinc/85/29/89/415852989.db2.gz XSYAOELLOLKOGN-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP Cn1cc(C[NH2+]CC2([NH3+])CCCC2)c(-c2ccccc2)n1 ZINC000656788677 415862146 /nfs/dbraw/zinc/86/21/46/415862146.db2.gz ASXIARDTTJPDED-UHFFFAOYSA-N 2 1 284.407 2.448 20 0 CEADMP c1cc2c(cc1CN[C@@H]1CC[NH2+]C3(CCC3)C1)C[NH2+]CC2 ZINC000656786108 415862626 /nfs/dbraw/zinc/86/26/26/415862626.db2.gz KOBBQYHFVLSFHU-QGZVFWFLSA-N 2 1 285.435 2.097 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662682984 415931415 /nfs/dbraw/zinc/93/14/15/415931415.db2.gz MFRMWDCBEWPCIC-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[C@H]([NH3+])C3)c2C1 ZINC000662704928 415937163 /nfs/dbraw/zinc/93/71/63/415937163.db2.gz LXNMLZBAVVCWSR-JOCQHMNTSA-N 2 1 273.380 2.088 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[C@H]([NH3+])C3)c2C1 ZINC000662704928 415937166 /nfs/dbraw/zinc/93/71/66/415937166.db2.gz LXNMLZBAVVCWSR-JOCQHMNTSA-N 2 1 273.380 2.088 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cc(OC)cc(OC)c2)CC[C@@H]1[NH3+] ZINC000122226856 419425151 /nfs/dbraw/zinc/42/51/51/419425151.db2.gz NTJBVMVZPMZQHP-CJNGLKHVSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)CC[C@@H]1[NH3+] ZINC000122226856 419425168 /nfs/dbraw/zinc/42/51/68/419425168.db2.gz NTJBVMVZPMZQHP-CJNGLKHVSA-N 2 1 278.396 2.263 20 0 CEADMP COc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1F ZINC000666774683 419429688 /nfs/dbraw/zinc/42/96/88/419429688.db2.gz RZALRHUMLNDCRJ-NEPJUHHUSA-N 2 1 266.360 2.312 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1nccc2ccccc21 ZINC000666879617 419455647 /nfs/dbraw/zinc/45/56/47/419455647.db2.gz GLCSYJKBFFRELP-WFASDCNBSA-N 2 1 255.365 2.322 20 0 CEADMP c1nc2n(c1C[N@H+]1CCC[C@]3(CCCOC3)C1)CCC2 ZINC000667666266 419766108 /nfs/dbraw/zinc/76/61/08/419766108.db2.gz HNZRXULESGWMMB-INIZCTEOSA-N 2 1 275.396 2.222 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)n(-c2cc[nH+]cc2)n1 ZINC000667694883 419771836 /nfs/dbraw/zinc/77/18/36/419771836.db2.gz BKSCIKBJRCDMGX-RHSMWYFYSA-N 2 1 298.390 2.268 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000666693921 419776675 /nfs/dbraw/zinc/77/66/75/419776675.db2.gz GRBLYPRLZRRSQH-HOTGVXAUSA-N 2 1 261.413 2.319 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000666693921 419776683 /nfs/dbraw/zinc/77/66/83/419776683.db2.gz GRBLYPRLZRRSQH-HOTGVXAUSA-N 2 1 261.413 2.319 20 0 CEADMP Cc1[nH+]cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1C ZINC000667708800 419777495 /nfs/dbraw/zinc/77/74/95/419777495.db2.gz LHGVCGMNYSHSGM-YOEHRIQHSA-N 2 1 288.439 2.177 20 0 CEADMP Cc1[nH+]cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1C ZINC000667708800 419777504 /nfs/dbraw/zinc/77/75/04/419777504.db2.gz LHGVCGMNYSHSGM-YOEHRIQHSA-N 2 1 288.439 2.177 20 0 CEADMP C[N@H+](Cc1ccnn1CC1CC1)CC1CC[NH+](C)CC1 ZINC000667597430 419724617 /nfs/dbraw/zinc/72/46/17/419724617.db2.gz NAJAAVZMNHHNPS-UHFFFAOYSA-N 2 1 276.428 2.067 20 0 CEADMP CCC(=O)CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394168068 260120610 /nfs/dbraw/zinc/12/06/10/260120610.db2.gz IVTDWPXHVYNDOE-PBWFPOADSA-N 2 1 252.402 2.303 20 0 CEADMP CCC(=O)CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394168068 260120612 /nfs/dbraw/zinc/12/06/12/260120612.db2.gz IVTDWPXHVYNDOE-PBWFPOADSA-N 2 1 252.402 2.303 20 0 CEADMP CCC(=O)CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394168068 260120614 /nfs/dbraw/zinc/12/06/14/260120614.db2.gz IVTDWPXHVYNDOE-PBWFPOADSA-N 2 1 252.402 2.303 20 0 CEADMP CCC(=O)CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394168068 260120615 /nfs/dbraw/zinc/12/06/15/260120615.db2.gz IVTDWPXHVYNDOE-PBWFPOADSA-N 2 1 252.402 2.303 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449107085 260220781 /nfs/dbraw/zinc/22/07/81/260220781.db2.gz OBRLRJJTMHSMFB-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP CCC[N@@H+](C)CC(=O)Nc1ccc2c(c1)nc(C)n2C ZINC000525730761 262030218 /nfs/dbraw/zinc/03/02/18/262030218.db2.gz GAZCUEDAQVNDPP-UHFFFAOYSA-N 2 1 274.368 2.162 20 0 CEADMP CCCN(C)CC(=O)Nc1ccc2c(c1)nc(C)n2C ZINC000525730761 262030220 /nfs/dbraw/zinc/03/02/20/262030220.db2.gz GAZCUEDAQVNDPP-UHFFFAOYSA-N 2 1 274.368 2.162 20 0 CEADMP C[C@@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)NC(=O)OC(C)(C)C ZINC000497252865 262124156 /nfs/dbraw/zinc/12/41/56/262124156.db2.gz LVUBLPBOMQRSKT-ZDUSSCGKSA-N 2 1 299.459 2.364 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390407832 262190012 /nfs/dbraw/zinc/19/00/12/262190012.db2.gz CGOHJVFPIWQGSC-KRWDZBQOSA-N 2 1 298.434 2.409 20 0 CEADMP CC(C)(C)[N@@H+]1CC[C@@](F)(c2nc(C3([NH3+])CCCC3)no2)C1 ZINC000414624867 263014811 /nfs/dbraw/zinc/01/48/11/263014811.db2.gz HINLTXKPIXQRKV-AWEZNQCLSA-N 2 1 296.390 2.467 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@](F)(c2nc(C3([NH3+])CCCC3)no2)C1 ZINC000414624867 263014812 /nfs/dbraw/zinc/01/48/12/263014812.db2.gz HINLTXKPIXQRKV-AWEZNQCLSA-N 2 1 296.390 2.467 20 0 CEADMP CC[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000453261419 263214436 /nfs/dbraw/zinc/21/44/36/263214436.db2.gz RMZJNWFQUTVSRU-UTUOFQBUSA-N 2 1 282.350 2.416 20 0 CEADMP CC[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000453261419 263214438 /nfs/dbraw/zinc/21/44/38/263214438.db2.gz RMZJNWFQUTVSRU-UTUOFQBUSA-N 2 1 282.350 2.416 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)CC2CCCCC2)C1 ZINC000430580787 263306560 /nfs/dbraw/zinc/30/65/60/263306560.db2.gz SMLQGZXUEZMNBD-GOEBONIOSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)CC2CCCCC2)C1 ZINC000430580787 263306561 /nfs/dbraw/zinc/30/65/61/263306561.db2.gz SMLQGZXUEZMNBD-GOEBONIOSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@H](CCC1CC1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000186322509 270249665 /nfs/dbraw/zinc/24/96/65/270249665.db2.gz FWZSVWKENWGYFJ-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CC2)C[C@@H]1C ZINC000425420311 264312209 /nfs/dbraw/zinc/31/22/09/264312209.db2.gz LCAXREXVWUTPGW-QEJZJMRPSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)C2CC2)C[C@@H]1C ZINC000425420311 264312210 /nfs/dbraw/zinc/31/22/10/264312210.db2.gz LCAXREXVWUTPGW-QEJZJMRPSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)C2CC2)C[C@@H]1C ZINC000425420311 264312211 /nfs/dbraw/zinc/31/22/11/264312211.db2.gz LCAXREXVWUTPGW-QEJZJMRPSA-N 2 1 254.418 2.216 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C)CCN1CC[NH+](C)Cc1ccccc1 ZINC000425487236 264354473 /nfs/dbraw/zinc/35/44/73/264354473.db2.gz VSLNRNWVVWZLCG-SFHVURJKSA-N 2 1 289.467 2.390 20 0 CEADMP CC(C)[C@@H]1C[NH+](C)CCN1CC[N@H+](C)Cc1ccccc1 ZINC000425487236 264354474 /nfs/dbraw/zinc/35/44/74/264354474.db2.gz VSLNRNWVVWZLCG-SFHVURJKSA-N 2 1 289.467 2.390 20 0 CEADMP CC(C)[C@@H]1C[NH+](C)CCN1CC[N@@H+](C)Cc1ccccc1 ZINC000425487236 264354475 /nfs/dbraw/zinc/35/44/75/264354475.db2.gz VSLNRNWVVWZLCG-SFHVURJKSA-N 2 1 289.467 2.390 20 0 CEADMP COc1nc2ccccc2cc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000519155287 265341389 /nfs/dbraw/zinc/34/13/89/265341389.db2.gz BWZVKUFKJQCXDU-OLZOCXBDSA-N 2 1 285.391 2.413 20 0 CEADMP COc1nc2ccccc2cc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000519155287 265341391 /nfs/dbraw/zinc/34/13/91/265341391.db2.gz BWZVKUFKJQCXDU-OLZOCXBDSA-N 2 1 285.391 2.413 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1C[NH3+] ZINC000397236465 270352426 /nfs/dbraw/zinc/35/24/26/270352426.db2.gz BOPCLHUEEMJFPA-NFAWXSAZSA-N 2 1 290.407 2.263 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000398030485 270356205 /nfs/dbraw/zinc/35/62/05/270356205.db2.gz NGTIWYIDNGAXRU-FZCLSBEQSA-N 2 1 287.451 2.380 20 0 CEADMP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)C[C@H]1CCCO1 ZINC000420324539 270518424 /nfs/dbraw/zinc/51/84/24/270518424.db2.gz VPTXMNMKFFIVIB-NVXWUHKLSA-N 2 1 292.423 2.238 20 0 CEADMP Cn1c(CC[NH2+][C@H](C[NH3+])C(C)(C)C)nc2ccccc21 ZINC000420356824 270525306 /nfs/dbraw/zinc/52/53/06/270525306.db2.gz GRDJALZKJRSOSK-CQSZACIVSA-N 2 1 274.412 2.079 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CN[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422734814 270745531 /nfs/dbraw/zinc/74/55/31/270745531.db2.gz CZMXCQXWZABQLA-PBHICJAKSA-N 2 1 275.440 2.226 20 0 CEADMP COc1ccc(OC)c(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422805616 270776857 /nfs/dbraw/zinc/77/68/57/270776857.db2.gz MGZPLNZLLREPNK-DOMZBBRYSA-N 2 1 278.396 2.182 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422836356 270788256 /nfs/dbraw/zinc/78/82/56/270788256.db2.gz JSYUMYLVULCRTR-RDJZCZTQSA-N 3 1 281.488 2.332 20 0 CEADMP C[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000422862329 270794119 /nfs/dbraw/zinc/79/41/19/270794119.db2.gz NNTNPIIBIHTXRV-WCVJEAGWSA-N 2 1 267.461 2.370 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000423120764 270841984 /nfs/dbraw/zinc/84/19/84/270841984.db2.gz HMEZBXSZQUOOGT-XUJVJEKNSA-N 2 1 282.815 2.146 20 0 CEADMP COc1ccncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423136621 270847583 /nfs/dbraw/zinc/84/75/83/270847583.db2.gz VJMMORUSWUWQDA-QLFBSQMISA-N 2 1 275.396 2.101 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000423262912 270884316 /nfs/dbraw/zinc/88/43/16/270884316.db2.gz NRVRRCFIWRMCEW-JQWIXIFHSA-N 2 1 250.342 2.049 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)CCC2 ZINC000423320252 270896647 /nfs/dbraw/zinc/89/66/47/270896647.db2.gz MGFVDAJVMYNNEA-HZPDHXFCSA-N 2 1 260.381 2.400 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000423368306 270905410 /nfs/dbraw/zinc/90/54/10/270905410.db2.gz ZLKYWWWIYLLAHF-ARFHVFGLSA-N 2 1 297.487 2.377 20 0 CEADMP CN(C[C@H](C[NH3+])c1ccc(F)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000424306824 271042413 /nfs/dbraw/zinc/04/24/13/271042413.db2.gz WBYADUKERJIPRO-YOEHRIQHSA-N 2 1 291.414 2.037 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424333565 271047113 /nfs/dbraw/zinc/04/71/13/271047113.db2.gz UNUAKDAYUOXSOM-QMCVQRASSA-N 2 1 274.408 2.010 20 0 CEADMP CC[C@H](C)[C@H]([NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424342099 271049042 /nfs/dbraw/zinc/04/90/42/271049042.db2.gz XBQDFSRMGBXDKT-UWVGGRQHSA-N 2 1 252.362 2.234 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424430778 271055016 /nfs/dbraw/zinc/05/50/16/271055016.db2.gz DDSZLSWCXUUAHM-ZDUSSCGKSA-N 2 1 292.427 2.306 20 0 CEADMP CC(C)n1cncc1CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000425322049 271155771 /nfs/dbraw/zinc/15/57/71/271155771.db2.gz GMNGOSXSQJFZLO-AWEZNQCLSA-N 2 1 264.417 2.238 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCCO1 ZINC000429256744 271316897 /nfs/dbraw/zinc/31/68/97/271316897.db2.gz YBTSFFLDDNQSCI-AWEZNQCLSA-N 2 1 265.401 2.337 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000429256744 271316900 /nfs/dbraw/zinc/31/69/00/271316900.db2.gz YBTSFFLDDNQSCI-AWEZNQCLSA-N 2 1 265.401 2.337 20 0 CEADMP CC(C)N1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000430014931 271352686 /nfs/dbraw/zinc/35/26/86/271352686.db2.gz FVKXXQYQZQAAEB-UHFFFAOYSA-N 2 1 267.461 2.322 20 0 CEADMP COc1ccc(OCCC[NH2+][C@@](C)(C[NH3+])C2CC2)cc1 ZINC000430569089 271393129 /nfs/dbraw/zinc/39/31/29/271393129.db2.gz IHADOZHDIBAMFK-INIZCTEOSA-N 2 1 278.396 2.181 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2nc3ccccc3n2C)C1 ZINC000430582900 271394945 /nfs/dbraw/zinc/39/49/45/271394945.db2.gz LJIIGWNQIXYDGP-ZIAGYGMSSA-N 2 1 286.423 2.175 20 0 CEADMP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430593224 271396997 /nfs/dbraw/zinc/39/69/97/271396997.db2.gz ONKLYYUGWSZSBP-QPSCCSFWSA-N 2 1 297.487 2.233 20 0 CEADMP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430593224 271397000 /nfs/dbraw/zinc/39/70/00/271397000.db2.gz ONKLYYUGWSZSBP-QPSCCSFWSA-N 2 1 297.487 2.233 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000430598477 271398467 /nfs/dbraw/zinc/39/84/67/271398467.db2.gz OKITYKICTRXNBU-OEMZWJQQSA-N 2 1 295.471 2.129 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000430598477 271398470 /nfs/dbraw/zinc/39/84/70/271398470.db2.gz OKITYKICTRXNBU-OEMZWJQQSA-N 2 1 295.471 2.129 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)NCC1CCCCC1 ZINC000430602685 271399111 /nfs/dbraw/zinc/39/91/11/271399111.db2.gz HSQBVOFPNSRQNN-HOCLYGCPSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)NCC1CCCCC1 ZINC000430602685 271399114 /nfs/dbraw/zinc/39/91/14/271399114.db2.gz HSQBVOFPNSRQNN-HOCLYGCPSA-N 2 1 295.471 2.275 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2nc(CCC(C)C)no2)CC1 ZINC000430965871 271418388 /nfs/dbraw/zinc/41/83/88/271418388.db2.gz LQFABPYTCIXEDT-UHFFFAOYSA-N 2 1 280.416 2.090 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339073222 274049494 /nfs/dbraw/zinc/04/94/94/274049494.db2.gz BBPFVOSLBMZJFI-OKZBNKHCSA-N 2 1 288.435 2.461 20 0 CEADMP COc1cc2c(c(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)c1)O[C@@H](C)C2 ZINC000347141429 274100654 /nfs/dbraw/zinc/10/06/54/274100654.db2.gz WJSLFFSMLOGLOE-WQGACYEGSA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(c(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)c1)O[C@@H](C)C2 ZINC000347141429 274100657 /nfs/dbraw/zinc/10/06/57/274100657.db2.gz WJSLFFSMLOGLOE-WQGACYEGSA-N 2 1 290.407 2.188 20 0 CEADMP O[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCc2ccccc21 ZINC000297361146 275060019 /nfs/dbraw/zinc/06/00/19/275060019.db2.gz FVMKKYXIUVMCQY-SFHVURJKSA-N 2 1 286.419 2.037 20 0 CEADMP CC1(C)Cc2cccc(C[NH+]3CCC([NH3+])CC3)c2O1 ZINC000080509967 275872635 /nfs/dbraw/zinc/87/26/35/275872635.db2.gz NJZDENDFUUEZFE-UHFFFAOYSA-N 2 1 260.381 2.323 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000312599933 276019364 /nfs/dbraw/zinc/01/93/64/276019364.db2.gz WACZDOALIZOKLZ-INIZCTEOSA-N 2 1 276.428 2.124 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2(COC)CCC2)C1 ZINC000361316914 276074229 /nfs/dbraw/zinc/07/42/29/276074229.db2.gz XATXGJCXVHMVRD-CQSZACIVSA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2(COC)CCC2)C1 ZINC000361316914 276074230 /nfs/dbraw/zinc/07/42/30/276074230.db2.gz XATXGJCXVHMVRD-CQSZACIVSA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2(COC)CCC2)C1 ZINC000361316914 276074231 /nfs/dbraw/zinc/07/42/31/276074231.db2.gz XATXGJCXVHMVRD-CQSZACIVSA-N 2 1 254.418 2.077 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2(O)CCC(C)CC2)C1 ZINC000304752302 276074356 /nfs/dbraw/zinc/07/43/56/276074356.db2.gz XWFODAICPBYGMT-HWOWSKLDSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2(O)CCC(C)CC2)C1 ZINC000304752302 276074358 /nfs/dbraw/zinc/07/43/58/276074358.db2.gz XWFODAICPBYGMT-HWOWSKLDSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2(O)CCC(C)CC2)C1 ZINC000304752302 276074359 /nfs/dbraw/zinc/07/43/59/276074359.db2.gz XWFODAICPBYGMT-HWOWSKLDSA-N 2 1 268.445 2.201 20 0 CEADMP CC1(C)CCC(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000261660299 276101644 /nfs/dbraw/zinc/10/16/44/276101644.db2.gz DZXHQAYQBIXFIC-INIZCTEOSA-N 2 1 279.472 2.182 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000246915361 276148840 /nfs/dbraw/zinc/14/88/40/276148840.db2.gz FVGPWBSPKGGKRI-WBVHZDCISA-N 3 1 281.488 2.428 20 0 CEADMP CCN1CC[C@H]([NH2+]CCC2CC[NH+](CC)CC2)[C@H](C)C1 ZINC000246915361 276148842 /nfs/dbraw/zinc/14/88/42/276148842.db2.gz FVGPWBSPKGGKRI-WBVHZDCISA-N 2 1 281.488 2.428 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cccnc3CC2)CC1 ZINC000335020542 276152154 /nfs/dbraw/zinc/15/21/54/276152154.db2.gz FRGKZCTUKYBWKP-HNNXBMFYSA-N 2 1 273.424 2.403 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000353650035 276216754 /nfs/dbraw/zinc/21/67/54/276216754.db2.gz PLLULFNFTBHTJQ-LSDHHAIUSA-N 3 1 299.528 2.134 20 0 CEADMP CCN1CC[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000353650035 276216755 /nfs/dbraw/zinc/21/67/55/276216755.db2.gz PLLULFNFTBHTJQ-LSDHHAIUSA-N 2 1 299.528 2.134 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000336723460 276334421 /nfs/dbraw/zinc/33/44/21/276334421.db2.gz ZJQDIUWNVFOPQA-HUUCEWRRSA-N 2 1 254.418 2.077 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCC=CO3)CC[C@@H]21 ZINC000248872443 277068911 /nfs/dbraw/zinc/06/89/11/277068911.db2.gz IEIKQIVUCKPCNS-KFWWJZLASA-N 2 1 250.386 2.095 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCC=CO3)CC[C@@H]21 ZINC000248872443 277068912 /nfs/dbraw/zinc/06/89/12/277068912.db2.gz IEIKQIVUCKPCNS-KFWWJZLASA-N 2 1 250.386 2.095 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCC=CO3)CC[C@@H]21 ZINC000248872443 277068913 /nfs/dbraw/zinc/06/89/13/277068913.db2.gz IEIKQIVUCKPCNS-KFWWJZLASA-N 2 1 250.386 2.095 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@H]2CCC[C@@H]21 ZINC000375897091 277172459 /nfs/dbraw/zinc/17/24/59/277172459.db2.gz DCMPIXCVOQYACT-ILXRZTDVSA-N 2 1 288.391 2.378 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000336008149 277183709 /nfs/dbraw/zinc/18/37/09/277183709.db2.gz XAHDBKVYDROBMV-INIZCTEOSA-N 2 1 266.429 2.146 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000336008149 277183710 /nfs/dbraw/zinc/18/37/10/277183710.db2.gz XAHDBKVYDROBMV-INIZCTEOSA-N 2 1 266.429 2.146 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1(C)C ZINC000300410039 277312520 /nfs/dbraw/zinc/31/25/20/277312520.db2.gz DHWNUXMPSBAYNF-XHJNMGKDSA-N 2 1 254.418 2.118 20 0 CEADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414705686 277361643 /nfs/dbraw/zinc/36/16/43/277361643.db2.gz LUMHCEFJRCHAOD-HOTGVXAUSA-N 2 1 295.471 2.084 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000353633807 277388850 /nfs/dbraw/zinc/38/88/50/277388850.db2.gz UESJHQQLEIEHLH-PCKAHOCUSA-N 2 1 268.445 2.390 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000353633807 277388852 /nfs/dbraw/zinc/38/88/52/277388852.db2.gz UESJHQQLEIEHLH-PCKAHOCUSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414812512 277565693 /nfs/dbraw/zinc/56/56/93/277565693.db2.gz PKNJJRRAAYSXQB-NHYWBVRUSA-N 2 1 250.361 2.474 20 0 CEADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335453905 277996961 /nfs/dbraw/zinc/99/69/61/277996961.db2.gz XNAHXNVJZIMHPY-CYBMUJFWSA-N 2 1 264.344 2.163 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)[C@H](C)O1 ZINC000414278134 278013285 /nfs/dbraw/zinc/01/32/85/278013285.db2.gz HPFRXJHJOBEPBG-ARSDKDGVSA-N 2 1 254.418 2.118 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)CC[N@@H+]1C ZINC000248819278 278030381 /nfs/dbraw/zinc/03/03/81/278030381.db2.gz LGMKNCINQMMLSM-RZFFKMDDSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)CC[N@H+]1C ZINC000248819278 278030383 /nfs/dbraw/zinc/03/03/83/278030383.db2.gz LGMKNCINQMMLSM-RZFFKMDDSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1[N@@H+](CC[C@@H]2CCC[NH+]2C)CCC12CCOCC2 ZINC000335998129 278044346 /nfs/dbraw/zinc/04/43/46/278044346.db2.gz NHGRLSURBJLPKV-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1[NH+](CC[C@@H]2CCC[N@@H+]2C)CCC12CCOCC2 ZINC000335998129 278044348 /nfs/dbraw/zinc/04/43/48/278044348.db2.gz NHGRLSURBJLPKV-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1[NH+](CC[C@@H]2CCC[N@H+]2C)CCC12CCOCC2 ZINC000335998129 278044349 /nfs/dbraw/zinc/04/43/49/278044349.db2.gz NHGRLSURBJLPKV-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP CC/C=C/CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373343737 278164292 /nfs/dbraw/zinc/16/42/92/278164292.db2.gz DXGHGOBXLQMXNT-SDKBWNRFSA-N 2 1 279.472 2.301 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000359940520 278210976 /nfs/dbraw/zinc/21/09/76/278210976.db2.gz HNFWYCHRTTTZRW-QXSJWSMHSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000359940520 278210977 /nfs/dbraw/zinc/21/09/77/278210977.db2.gz HNFWYCHRTTTZRW-QXSJWSMHSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000359940520 278210978 /nfs/dbraw/zinc/21/09/78/278210978.db2.gz HNFWYCHRTTTZRW-QXSJWSMHSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)C1CCOCC1 ZINC000353917658 278255955 /nfs/dbraw/zinc/25/59/55/278255955.db2.gz RVOKOFTZAIVWGB-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@]1(C)CCCO1 ZINC000414194557 278260058 /nfs/dbraw/zinc/26/00/58/278260058.db2.gz UKTQMVKXRZUBHY-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)(C)CCNC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352488382 278316207 /nfs/dbraw/zinc/31/62/07/278316207.db2.gz PHFZQVHRGCISFG-UHFFFAOYSA-N 2 1 297.487 2.380 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000122764894 278345659 /nfs/dbraw/zinc/34/56/59/278345659.db2.gz XHKXJXZWNMWRHE-CRAIPNDOSA-N 2 1 288.435 2.449 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000122764894 278345660 /nfs/dbraw/zinc/34/56/60/278345660.db2.gz XHKXJXZWNMWRHE-CRAIPNDOSA-N 2 1 288.435 2.449 20 0 CEADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@H]1CCCOC1 ZINC000356910922 278346282 /nfs/dbraw/zinc/34/62/82/278346282.db2.gz ZJMHPKQVQSLFMH-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@H]1CCCOC1 ZINC000356910922 278346284 /nfs/dbraw/zinc/34/62/84/278346284.db2.gz ZJMHPKQVQSLFMH-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CCCCO2)C1 ZINC000347467305 279036977 /nfs/dbraw/zinc/03/69/77/279036977.db2.gz QQVQYBKIBWBHPL-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000347467305 279036978 /nfs/dbraw/zinc/03/69/78/279036978.db2.gz QQVQYBKIBWBHPL-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000347467305 279036979 /nfs/dbraw/zinc/03/69/79/279036979.db2.gz QQVQYBKIBWBHPL-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(C)=O ZINC000372945875 279094741 /nfs/dbraw/zinc/09/47/41/279094741.db2.gz FGYKPPXMDPCYNS-IAGOWNOFSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000365189729 279095965 /nfs/dbraw/zinc/09/59/65/279095965.db2.gz LXDGOYRUBQGHEC-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000336718081 279135605 /nfs/dbraw/zinc/13/56/05/279135605.db2.gz UNONCYZYILIFMX-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP Cc1ncc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000237669317 279153167 /nfs/dbraw/zinc/15/31/67/279153167.db2.gz JVTNRJBMWAPCTI-BETUJISGSA-N 2 1 297.468 2.431 20 0 CEADMP C[C@@]1(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]C1 ZINC000227823114 279159013 /nfs/dbraw/zinc/15/90/13/279159013.db2.gz GMUVHHSWFREJIP-GHMZBOCLSA-N 2 1 250.308 2.260 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]C1 ZINC000227823114 279159016 /nfs/dbraw/zinc/15/90/16/279159016.db2.gz GMUVHHSWFREJIP-GHMZBOCLSA-N 2 1 250.308 2.260 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000049553220 279258598 /nfs/dbraw/zinc/25/85/98/279258598.db2.gz CZAHHKFWSBGQEO-CHWSQXEVSA-N 2 1 278.396 2.449 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCOC2(C)C)C[C@H](C)O1 ZINC000340207474 288160839 /nfs/dbraw/zinc/16/08/39/288160839.db2.gz WAEYJRIBXNFINY-QLFBSQMISA-N 2 1 284.444 2.033 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869526 280031572 /nfs/dbraw/zinc/03/15/72/280031572.db2.gz TZGVQPAIKIVYKO-GDBMZVCRSA-N 2 1 266.429 2.362 20 0 CEADMP CCOCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134869526 280031576 /nfs/dbraw/zinc/03/15/76/280031576.db2.gz TZGVQPAIKIVYKO-GDBMZVCRSA-N 2 1 266.429 2.362 20 0 CEADMP CC[C@]1(C)C[N@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000135613094 280051123 /nfs/dbraw/zinc/05/11/23/280051123.db2.gz RGBOBUISIYQZER-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CC[C@]1(C)C[N@@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000135613094 280051126 /nfs/dbraw/zinc/05/11/26/280051126.db2.gz RGBOBUISIYQZER-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CC[N@H+](CCCCn1cc[nH+]c1C)C[C@@H](O)C(F)(F)F ZINC000189439435 280149732 /nfs/dbraw/zinc/14/97/32/280149732.db2.gz YNLVANXFCSKNJD-GFCCVEGCSA-N 2 1 293.333 2.217 20 0 CEADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C[C@@H](O)C(F)(F)F ZINC000189439435 280149737 /nfs/dbraw/zinc/14/97/37/280149737.db2.gz YNLVANXFCSKNJD-GFCCVEGCSA-N 2 1 293.333 2.217 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC(C)(C)C)[C@@H](C)C1 ZINC000245424804 280239151 /nfs/dbraw/zinc/23/91/51/280239151.db2.gz KHSCNXORVZDJMT-UONOGXRCSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC(C)(C)C)[C@@H](C)C1 ZINC000245424804 280239154 /nfs/dbraw/zinc/23/91/54/280239154.db2.gz KHSCNXORVZDJMT-UONOGXRCSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC(C)(C)C)[C@@H](C)C1 ZINC000245424804 280239155 /nfs/dbraw/zinc/23/91/55/280239155.db2.gz KHSCNXORVZDJMT-UONOGXRCSA-N 2 1 256.434 2.464 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000246035582 280270551 /nfs/dbraw/zinc/27/05/51/280270551.db2.gz MTYNYAKPSBCZHS-GUYCJALGSA-N 2 1 292.471 2.289 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000246531991 280299236 /nfs/dbraw/zinc/29/92/36/280299236.db2.gz VKRONKAMWMEBPV-DVOMOZLQSA-N 2 1 292.471 2.363 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000246531991 280299237 /nfs/dbraw/zinc/29/92/37/280299237.db2.gz VKRONKAMWMEBPV-DVOMOZLQSA-N 2 1 292.471 2.363 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCCCC2)[C@@H](C)C1 ZINC000246955968 280315577 /nfs/dbraw/zinc/31/55/77/280315577.db2.gz INZMBTMRXULOFJ-BPUTZDHNSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000247028768 280318263 /nfs/dbraw/zinc/31/82/63/280318263.db2.gz VGYKFAKHERRGLH-TUVASFSCSA-N 2 1 266.429 2.121 20 0 CEADMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000247123615 280321032 /nfs/dbraw/zinc/32/10/32/280321032.db2.gz ANHLYXZKOJGGMC-DLBZAZTESA-N 2 1 276.424 2.176 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC[NH+](C)C2CCCC2)[C@@H](C)C1 ZINC000247966749 280341218 /nfs/dbraw/zinc/34/12/18/280341218.db2.gz GWUOEMBAHLZICQ-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@H+](C)C2CCCC2)[C@@H](C)C1 ZINC000247966749 280341221 /nfs/dbraw/zinc/34/12/21/280341221.db2.gz GWUOEMBAHLZICQ-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@@H+](C)C2CCCC2)[C@@H](C)C1 ZINC000247966749 280341223 /nfs/dbraw/zinc/34/12/23/280341223.db2.gz GWUOEMBAHLZICQ-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@H+](CCO[C@H]1CCCCO1)CC[C@@H]1CCCC[NH+]1C ZINC000248571790 280353447 /nfs/dbraw/zinc/35/34/47/280353447.db2.gz MHTRXLZDJGQBSM-HOTGVXAUSA-N 2 1 284.444 2.336 20 0 CEADMP C[N@@H+](CCO[C@H]1CCCCO1)CC[C@@H]1CCCC[NH+]1C ZINC000248571790 280353448 /nfs/dbraw/zinc/35/34/48/280353448.db2.gz MHTRXLZDJGQBSM-HOTGVXAUSA-N 2 1 284.444 2.336 20 0 CEADMP C[NH+](CCO[C@H]1CCCCO1)CC[C@@H]1CCCC[N@@H+]1C ZINC000248571790 280353449 /nfs/dbraw/zinc/35/34/49/280353449.db2.gz MHTRXLZDJGQBSM-HOTGVXAUSA-N 2 1 284.444 2.336 20 0 CEADMP C[NH+](CCO[C@H]1CCCCO1)CC[C@@H]1CCCC[N@H+]1C ZINC000248571790 280353450 /nfs/dbraw/zinc/35/34/50/280353450.db2.gz MHTRXLZDJGQBSM-HOTGVXAUSA-N 2 1 284.444 2.336 20 0 CEADMP CC[C@@H](C)C[NH+](C)CC(O)C[N@H+](C)C[C@H](C)CC ZINC000248730291 280361123 /nfs/dbraw/zinc/36/11/23/280361123.db2.gz KFCNEMUQTLHBDV-ZIAGYGMSSA-N 2 1 258.450 2.303 20 0 CEADMP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CCC[NH+]1CCCCC1 ZINC000248821614 280366117 /nfs/dbraw/zinc/36/61/17/280366117.db2.gz IYELCIDVRLDQFU-QDMKHBRRSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@H](C[NH2+][C@H]1CCC12CCOCC2)[NH+]1CCCC1 ZINC000374297390 280839226 /nfs/dbraw/zinc/83/92/26/280839226.db2.gz QJMBCLWIZYKYAL-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1nnc2n1CCCCC2 ZINC000422907471 280958271 /nfs/dbraw/zinc/95/82/71/280958271.db2.gz LHOGOIIIEWGVSS-XQQFMLRXSA-N 2 1 279.432 2.171 20 0 CEADMP Fc1ccc(CCCC[NH2+][C@H]2CC[NH2+]C2)cc1F ZINC000423053201 281012721 /nfs/dbraw/zinc/01/27/21/281012721.db2.gz RMPDBCRGKVKSPE-LBPRGKRZSA-N 2 1 254.324 2.239 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000423330555 281023763 /nfs/dbraw/zinc/02/37/63/281023763.db2.gz CDDQGBIUITXARK-VBNZEHGJSA-N 2 1 287.407 2.063 20 0 CEADMP COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1OC ZINC000423378898 281025068 /nfs/dbraw/zinc/02/50/68/281025068.db2.gz WYHIVDRIRMVBBQ-WDEREUQCSA-N 2 1 252.358 2.010 20 0 CEADMP CC[NH2+][C@H](C)CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423380542 281026443 /nfs/dbraw/zinc/02/64/43/281026443.db2.gz MXHZMPHVYFWVQB-SOLBZPMBSA-N 2 1 289.467 2.485 20 0 CEADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000423380247 281026558 /nfs/dbraw/zinc/02/65/58/281026558.db2.gz NMIGSQUKDROCQF-AGIUHOORSA-N 2 1 278.396 2.495 20 0 CEADMP COCCC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(F)cc1 ZINC000423383878 281027649 /nfs/dbraw/zinc/02/76/49/281027649.db2.gz FNVKRZVCPMGAJX-FZMZJTMJSA-N 2 1 254.349 2.230 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2[nH]c(=O)oc2c1 ZINC000423436954 281041821 /nfs/dbraw/zinc/04/18/21/281041821.db2.gz QDAFDIQFXLIVDG-IDTSFGKNSA-N 2 1 287.363 2.038 20 0 CEADMP CC(C)[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2[nH]c(=O)oc2c1 ZINC000423436950 281041858 /nfs/dbraw/zinc/04/18/58/281041858.db2.gz QDAFDIQFXLIVDG-BVIHXZOGSA-N 2 1 287.363 2.038 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1OC ZINC000423449327 281046493 /nfs/dbraw/zinc/04/64/93/281046493.db2.gz RJTJZQABHYLBDC-UTUOFQBUSA-N 2 1 266.385 2.399 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423469824 281050787 /nfs/dbraw/zinc/05/07/87/281050787.db2.gz KTHJGKRSJHYQBX-HJWJTTGWSA-N 2 1 275.440 2.052 20 0 CEADMP Cc1cc(N)cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000423476565 281052540 /nfs/dbraw/zinc/05/25/40/281052540.db2.gz KMCMPPIDMDMPCI-UHFFFAOYSA-N 2 1 259.397 2.294 20 0 CEADMP CC[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423476326 281052473 /nfs/dbraw/zinc/05/24/73/281052473.db2.gz SIXABRVOBWJCNS-BHYGNILZSA-N 2 1 275.440 2.224 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CN)C1CCCC1 ZINC000423496687 281056126 /nfs/dbraw/zinc/05/61/26/281056126.db2.gz FIVFWOGIEUIBCY-MLGOLLRUSA-N 2 1 276.428 2.017 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(C)cc1 ZINC000423530219 281063625 /nfs/dbraw/zinc/06/36/25/281063625.db2.gz YLYAWPDHSIQQIS-CVEARBPZSA-N 2 1 262.397 2.414 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423769726 281088161 /nfs/dbraw/zinc/08/81/61/281088161.db2.gz GMJDTZZBVDGMNW-JYJNAYRXSA-N 2 1 297.487 2.249 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(C)(C)COC)C1 ZINC000426419115 281192326 /nfs/dbraw/zinc/19/23/26/281192326.db2.gz ZXEOCUBDGCJOOO-OAHLLOKOSA-N 2 1 286.460 2.092 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000430941038 281284157 /nfs/dbraw/zinc/28/41/57/281284157.db2.gz TWIBIORSKJUINA-CZUORRHYSA-N 2 1 262.397 2.297 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431854675 281322800 /nfs/dbraw/zinc/32/28/00/281322800.db2.gz PHEYMLAYCBKHKN-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000431854675 281322801 /nfs/dbraw/zinc/32/28/01/281322801.db2.gz PHEYMLAYCBKHKN-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000431854675 281322802 /nfs/dbraw/zinc/32/28/02/281322802.db2.gz PHEYMLAYCBKHKN-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000431852388 281322804 /nfs/dbraw/zinc/32/28/04/281322804.db2.gz WWKRQIRXPBQAIN-JKSUJKDBSA-N 2 1 297.487 2.247 20 0 CEADMP CC[N@H+](Cc1cnc(C)s1)[C@H]1CCC[NH2+]CC1 ZINC000435383594 281387049 /nfs/dbraw/zinc/38/70/49/281387049.db2.gz JCXWIYUULQNLMO-LBPRGKRZSA-N 2 1 253.415 2.416 20 0 CEADMP CC[N@@H+](Cc1cnc(C)s1)[C@H]1CCC[NH2+]CC1 ZINC000435383594 281387051 /nfs/dbraw/zinc/38/70/51/281387051.db2.gz JCXWIYUULQNLMO-LBPRGKRZSA-N 2 1 253.415 2.416 20 0 CEADMP CC[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]CC1 ZINC000435387642 281387057 /nfs/dbraw/zinc/38/70/57/281387057.db2.gz AWFNEFZPGJVRCI-HNNXBMFYSA-N 2 1 290.407 2.422 20 0 CEADMP CCn1ccnc1C[N@@H+](CC1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428080 281389653 /nfs/dbraw/zinc/38/96/53/281389653.db2.gz QBFOIFLFZQIJSF-OAHLLOKOSA-N 2 1 288.439 2.257 20 0 CEADMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158902081 282000061 /nfs/dbraw/zinc/00/00/61/282000061.db2.gz SDCQHGZIJNNHHT-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158902081 282000063 /nfs/dbraw/zinc/00/00/63/282000063.db2.gz SDCQHGZIJNNHHT-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158902081 282000065 /nfs/dbraw/zinc/00/00/65/282000065.db2.gz SDCQHGZIJNNHHT-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158902081 282000067 /nfs/dbraw/zinc/00/00/67/282000067.db2.gz SDCQHGZIJNNHHT-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000261691118 282071591 /nfs/dbraw/zinc/07/15/91/282071591.db2.gz IMIPVXUUZZIEQE-KBPBESRZSA-N 2 1 283.460 2.131 20 0 CEADMP C[NH+](C)CCC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000161942387 289108290 /nfs/dbraw/zinc/10/82/90/289108290.db2.gz NTJPQVYBLBTLJV-INIZCTEOSA-N 3 1 267.461 2.134 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(CC[NH+]2CCC(C)CC2)C1 ZINC000154071760 289133462 /nfs/dbraw/zinc/13/34/62/289133462.db2.gz SRDOTPBFNSITIX-QGZVFWFLSA-N 2 1 281.488 2.382 20 0 CEADMP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157444263 289214593 /nfs/dbraw/zinc/21/45/93/289214593.db2.gz XBAYBZUKMZVSRS-MRXNPFEDSA-N 2 1 290.455 2.487 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157444263 289214596 /nfs/dbraw/zinc/21/45/96/289214596.db2.gz XBAYBZUKMZVSRS-MRXNPFEDSA-N 2 1 290.455 2.487 20 0 CEADMP COc1ccccc1C[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000401883547 289289017 /nfs/dbraw/zinc/28/90/17/289289017.db2.gz RQMMLYHFJNVDFL-CYBMUJFWSA-N 2 1 273.380 2.192 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2[C@H]1C=CCCC1 ZINC000374431360 289322979 /nfs/dbraw/zinc/32/29/79/289322979.db2.gz XCOPYDZUOAMUQH-ZJIFWQFVSA-N 2 1 264.413 2.279 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459456733 290154672 /nfs/dbraw/zinc/15/46/72/290154672.db2.gz PKVRAFHDRQUBIV-HNNXBMFYSA-N 2 1 268.445 2.246 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2Cc3cccc(OC)c3C2)[C@H](C)C1 ZINC000459700129 290213486 /nfs/dbraw/zinc/21/34/86/290213486.db2.gz MMSXKLBRQWPVTA-KMFMINBZSA-N 2 1 288.435 2.482 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)[C@@H]2CCC[C@H]21 ZINC000367595536 290214913 /nfs/dbraw/zinc/21/49/13/290214913.db2.gz BIPVGQQYPYJCML-OKZBNKHCSA-N 2 1 291.483 2.323 20 0 CEADMP c1cn2c(cccc2C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)n1 ZINC000459717210 290216752 /nfs/dbraw/zinc/21/67/52/290216752.db2.gz MITUOTTXZCTLJI-HUUCEWRRSA-N 2 1 283.375 2.335 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000459724559 290218145 /nfs/dbraw/zinc/21/81/45/290218145.db2.gz FFBPFYOPJWQRDO-CQSZACIVSA-N 2 1 278.444 2.460 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000459724558 290218317 /nfs/dbraw/zinc/21/83/17/290218317.db2.gz FFBPFYOPJWQRDO-AWEZNQCLSA-N 2 1 278.444 2.460 20 0 CEADMP COC(=O)c1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)oc1C ZINC000459733221 290220846 /nfs/dbraw/zinc/22/08/46/290220846.db2.gz NFYXOXTWHHDCKE-CYBMUJFWSA-N 2 1 294.395 2.196 20 0 CEADMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1O ZINC000459736751 290221215 /nfs/dbraw/zinc/22/12/15/290221215.db2.gz QTNXDYSINOFYBG-ZDUSSCGKSA-N 2 1 278.396 2.222 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H]2CCC[C@H]21 ZINC000353442226 290223446 /nfs/dbraw/zinc/22/34/46/290223446.db2.gz PBUHGCCMYOQKHO-OVYGPGRDSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]2CCC[C@H]21 ZINC000353442226 290223449 /nfs/dbraw/zinc/22/34/49/290223449.db2.gz PBUHGCCMYOQKHO-OVYGPGRDSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]2CCC[C@H]21 ZINC000353442226 290223453 /nfs/dbraw/zinc/22/34/53/290223453.db2.gz PBUHGCCMYOQKHO-OVYGPGRDSA-N 2 1 277.456 2.076 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H]2CCC[C@H]21 ZINC000353442226 290223456 /nfs/dbraw/zinc/22/34/56/290223456.db2.gz PBUHGCCMYOQKHO-OVYGPGRDSA-N 3 1 277.456 2.076 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H]2CCC[C@H]21 ZINC000353442226 290223461 /nfs/dbraw/zinc/22/34/61/290223461.db2.gz PBUHGCCMYOQKHO-OVYGPGRDSA-N 3 1 277.456 2.076 20 0 CEADMP C[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]2CCC[C@H]21 ZINC000353442226 290223463 /nfs/dbraw/zinc/22/34/63/290223463.db2.gz PBUHGCCMYOQKHO-OVYGPGRDSA-N 3 1 277.456 2.076 20 0 CEADMP C[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]2CCC[C@H]21 ZINC000353442226 290223467 /nfs/dbraw/zinc/22/34/67/290223467.db2.gz PBUHGCCMYOQKHO-OVYGPGRDSA-N 3 1 277.456 2.076 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)C12CCC2 ZINC000459741238 290223545 /nfs/dbraw/zinc/22/35/45/290223545.db2.gz BTMLRISTBJCHHN-BFHYXJOUSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)[C@@H]2CCC[C@H]21 ZINC000353669173 290225403 /nfs/dbraw/zinc/22/54/03/290225403.db2.gz BYWZTSUDLPJZRZ-PRFSMCDRSA-N 2 1 264.413 2.016 20 0 CEADMP CN(C)Cc1cnc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000459783380 290238714 /nfs/dbraw/zinc/23/87/14/290238714.db2.gz NBIOLKSTZXFSFP-CYBMUJFWSA-N 2 1 296.484 2.026 20 0 CEADMP [NH3+]CCC[N@@H+](CC1CCCC1)CC1CCOCC1 ZINC000352512496 295229507 /nfs/dbraw/zinc/22/95/07/295229507.db2.gz YIMOYALVSOAMDB-UHFFFAOYSA-N 2 1 254.418 2.254 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](CCO)CC2CCCCC2)CC[NH2+]1 ZINC000414732981 297395596 /nfs/dbraw/zinc/39/55/96/297395596.db2.gz CAINZORCJITSCB-GDBMZVCRSA-N 2 1 268.445 2.249 20 0 CEADMP COCCC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000528582109 297839154 /nfs/dbraw/zinc/83/91/54/297839154.db2.gz LZVOFVWGZCYNEM-UHFFFAOYSA-N 2 1 265.401 2.101 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(C)COc2ccccc2O1)c1c[nH+]ccc1N ZINC000530206553 298048777 /nfs/dbraw/zinc/04/87/77/298048777.db2.gz ALTQRTSLQWJGOH-SJKOYZFVSA-N 2 1 299.374 2.375 20 0 CEADMP Cc1cnccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000530217613 298053308 /nfs/dbraw/zinc/05/33/08/298053308.db2.gz AEPRGSAQFSNICD-GDBMZVCRSA-N 2 1 259.397 2.212 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C12CCC2 ZINC000530223730 298056730 /nfs/dbraw/zinc/05/67/30/298056730.db2.gz UWGRDLIMFNJBOI-HZSPNIEDSA-N 2 1 264.413 2.208 20 0 CEADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCc1c[nH+]cn1C ZINC000530407516 298069095 /nfs/dbraw/zinc/06/90/95/298069095.db2.gz TVAKUDHFLKZOKU-CYBMUJFWSA-N 2 1 297.406 2.450 20 0 CEADMP Cc1c([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cnn1C(C)C ZINC000530407318 298069139 /nfs/dbraw/zinc/06/91/39/298069139.db2.gz PTDDGMJYLIETHE-GFCCVEGCSA-N 2 1 275.400 2.399 20 0 CEADMP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000531970913 298127408 /nfs/dbraw/zinc/12/74/08/298127408.db2.gz BPGSXGXJOMPLJC-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000537346156 298209051 /nfs/dbraw/zinc/20/90/51/298209051.db2.gz WMFKXRNSQRICPH-UHFFFAOYSA-N 2 1 294.402 2.495 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000564408717 298828620 /nfs/dbraw/zinc/82/86/20/298828620.db2.gz FGZBAEQQATXSPJ-RMRHIDDWSA-N 2 1 265.401 2.373 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc(F)cc1F)[C@@H]1CCC[NH2+]1 ZINC000565533931 298908317 /nfs/dbraw/zinc/90/83/17/298908317.db2.gz PUDFYXUQIOBBNW-YGRLFVJLSA-N 2 1 254.324 2.237 20 0 CEADMP N[C@H]1C[C@H]([NH2+]C2[C@@H]3CC[C@H]2CC([NH3+])C3)c2ccccc21 ZINC000566092358 298943788 /nfs/dbraw/zinc/94/37/88/298943788.db2.gz DCUGPDBKIUQJOY-CEBHYDLKSA-N 2 1 271.408 2.237 20 0 CEADMP c1nc(C2CC2)sc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000567356051 299056765 /nfs/dbraw/zinc/05/67/65/299056765.db2.gz IDONPBBRHZIIKV-LLVKDONJSA-N 2 1 251.399 2.252 20 0 CEADMP C[C@H]1C[N@@H+](CC2(C)CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000335737205 300250444 /nfs/dbraw/zinc/25/04/44/300250444.db2.gz IJLZVCHFKHXTRO-HOTGVXAUSA-N 2 1 279.472 2.134 20 0 CEADMP C[NH+](C)C1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000171343139 312668021 /nfs/dbraw/zinc/66/80/21/312668021.db2.gz ZMWFWKMEIQFICH-UHFFFAOYSA-N 2 1 275.396 2.041 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H](CO)c1ccccc1C ZINC000514950751 313061910 /nfs/dbraw/zinc/06/19/10/313061910.db2.gz OESRWLDFOVXICC-INIZCTEOSA-N 2 1 264.413 2.350 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000515654194 313075538 /nfs/dbraw/zinc/07/55/38/313075538.db2.gz IEWDQASLOTYVTA-XUWVNRHRSA-N 2 1 295.471 2.001 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccnc(C)c1 ZINC000527534252 313180792 /nfs/dbraw/zinc/18/07/92/313180792.db2.gz LDVJFQCBQKGAJX-CVEARBPZSA-N 2 1 259.397 2.449 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccnc(C)c1 ZINC000527534252 313180796 /nfs/dbraw/zinc/18/07/96/313180796.db2.gz LDVJFQCBQKGAJX-CVEARBPZSA-N 2 1 259.397 2.449 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc(C)c1 ZINC000527534252 313180798 /nfs/dbraw/zinc/18/07/98/313180798.db2.gz LDVJFQCBQKGAJX-CVEARBPZSA-N 2 1 259.397 2.449 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527724644 313195490 /nfs/dbraw/zinc/19/54/90/313195490.db2.gz PSJSHYMJGZHKOH-UHFFFAOYSA-N 2 1 287.407 2.104 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)COc3ccccc3O2)CC[N@H+]1C ZINC000527938878 313217731 /nfs/dbraw/zinc/21/77/31/313217731.db2.gz YXCHYULZXHVJHA-JKIFEVAISA-N 2 1 290.407 2.289 20 0 CEADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000531936093 313333366 /nfs/dbraw/zinc/33/33/66/313333366.db2.gz BDZGEXDJBOGCIS-CJNGLKHVSA-N 2 1 289.423 2.465 20 0 CEADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000531936093 313333370 /nfs/dbraw/zinc/33/33/70/313333370.db2.gz BDZGEXDJBOGCIS-CJNGLKHVSA-N 2 1 289.423 2.465 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCN(Cc2ccsc2)CC1 ZINC000535765784 313396739 /nfs/dbraw/zinc/39/67/39/313396739.db2.gz TWZSIPDYMCZVGT-INIZCTEOSA-N 2 1 293.480 2.350 20 0 CEADMP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000535765784 313396742 /nfs/dbraw/zinc/39/67/42/313396742.db2.gz TWZSIPDYMCZVGT-INIZCTEOSA-N 2 1 293.480 2.350 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000535765784 313396745 /nfs/dbraw/zinc/39/67/45/313396745.db2.gz TWZSIPDYMCZVGT-INIZCTEOSA-N 2 1 293.480 2.350 20 0 CEADMP Cc1ccc(NCCC[NH2+]CC2(O)CCC(C)CC2)[nH+]c1 ZINC000562991583 313709434 /nfs/dbraw/zinc/70/94/34/313709434.db2.gz QAGQANUXPKBPML-UHFFFAOYSA-N 2 1 291.439 2.145 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(F)cc2F)CC1(C)C ZINC000570390335 314037243 /nfs/dbraw/zinc/03/72/43/314037243.db2.gz IBTRCSUSPGQMJE-UHFFFAOYSA-N 2 1 297.393 2.080 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CCCC[C@H]1O)CC[NH2+]CC2 ZINC000571453715 314091322 /nfs/dbraw/zinc/09/13/22/314091322.db2.gz ZOEDEGSXZMYTLE-QLFBSQMISA-N 2 1 266.429 2.002 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000572226722 314124702 /nfs/dbraw/zinc/12/47/02/314124702.db2.gz NGBCODWOELVPAC-JYJNAYRXSA-N 2 1 268.445 2.201 20 0 CEADMP CN(CC[N@@H+](C)CCCc1cncn1C)c1ccccc1 ZINC000572254779 314127920 /nfs/dbraw/zinc/12/79/20/314127920.db2.gz ZCEFWZBWFMHHFF-UHFFFAOYSA-N 2 1 286.423 2.421 20 0 CEADMP CN(CC[N@H+](C)CCCc1c[nH+]cn1C)c1ccccc1 ZINC000572254779 314127922 /nfs/dbraw/zinc/12/79/22/314127922.db2.gz ZCEFWZBWFMHHFF-UHFFFAOYSA-N 2 1 286.423 2.421 20 0 CEADMP CN(CC[N@@H+](C)CCCc1c[nH+]cn1C)c1ccccc1 ZINC000572254779 314127924 /nfs/dbraw/zinc/12/79/24/314127924.db2.gz ZCEFWZBWFMHHFF-UHFFFAOYSA-N 2 1 286.423 2.421 20 0 CEADMP C[NH+]1CCN([C@@H](C[NH2+]CC2(C)CC2)c2cccs2)CC1 ZINC000573896906 314179763 /nfs/dbraw/zinc/17/97/63/314179763.db2.gz ZKWWINLMMIWPOM-AWEZNQCLSA-N 2 1 293.480 2.426 20 0 CEADMP c1cc(C[NH2+]CCC[NH+]2CCC2)n(-c2ccccc2)n1 ZINC000577411932 314375716 /nfs/dbraw/zinc/37/57/16/314375716.db2.gz NOWVJIBTUMWDNV-UHFFFAOYSA-N 2 1 270.380 2.058 20 0 CEADMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(F)c1 ZINC000392953125 329065153 /nfs/dbraw/zinc/06/51/53/329065153.db2.gz XGGBTXMSFZCCFB-UHFFFAOYSA-N 2 1 264.344 2.186 20 0 CEADMP C[C@@H](CC[NH2+][C@@H](C)c1ccnn1C)[NH+]1CCCCC1 ZINC000193281229 321800931 /nfs/dbraw/zinc/80/09/31/321800931.db2.gz JOOOMIPYPDXFMD-KBPBESRZSA-N 2 1 264.417 2.335 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)CC[N@@H+]1C ZINC000580581267 322328918 /nfs/dbraw/zinc/32/89/18/322328918.db2.gz IDVKJNLZMFITKP-UGFHNGPFSA-N 2 1 278.371 2.202 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)CC[N@H+]1C ZINC000580581267 322328919 /nfs/dbraw/zinc/32/89/19/322328919.db2.gz IDVKJNLZMFITKP-UGFHNGPFSA-N 2 1 278.371 2.202 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000580773911 322343196 /nfs/dbraw/zinc/34/31/96/322343196.db2.gz JAAHXUMYMMTJOG-HOTGVXAUSA-N 2 1 279.472 2.182 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCc2ccccc2CC1 ZINC000580960882 322358537 /nfs/dbraw/zinc/35/85/37/322358537.db2.gz YKHHCZSBQCHNRL-UHFFFAOYSA-N 2 1 269.392 2.454 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN(C)Cc1ccccc1SC ZINC000581080170 322367842 /nfs/dbraw/zinc/36/78/42/322367842.db2.gz NOCHJGAFAVBDCA-CQSZACIVSA-N 2 1 282.453 2.153 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000581126262 322370740 /nfs/dbraw/zinc/37/07/40/322370740.db2.gz AAAYOYGLXYXUEZ-YOEHRIQHSA-N 2 1 287.407 2.336 20 0 CEADMP CCN(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000581456670 322397824 /nfs/dbraw/zinc/39/78/24/322397824.db2.gz PISYGDBBNDQSRW-GOEBONIOSA-N 2 1 290.455 2.310 20 0 CEADMP CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000581456670 322397826 /nfs/dbraw/zinc/39/78/26/322397826.db2.gz PISYGDBBNDQSRW-GOEBONIOSA-N 2 1 290.455 2.310 20 0 CEADMP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000581456670 322397830 /nfs/dbraw/zinc/39/78/30/322397830.db2.gz PISYGDBBNDQSRW-GOEBONIOSA-N 2 1 290.455 2.310 20 0 CEADMP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000581456670 322397833 /nfs/dbraw/zinc/39/78/33/322397833.db2.gz PISYGDBBNDQSRW-GOEBONIOSA-N 2 1 290.455 2.310 20 0 CEADMP Cc1[nH+]cc(CNc2ccccc2CC[NH+](C)C)n1C ZINC000582557879 322484003 /nfs/dbraw/zinc/48/40/03/322484003.db2.gz WLZONZZJOWNDHK-UHFFFAOYSA-N 2 1 272.396 2.445 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC23CCOCC3)CC[N@@H+]1C ZINC000558618998 327108732 /nfs/dbraw/zinc/10/87/32/327108732.db2.gz ZHMHKAGJVSZPMV-HZSPNIEDSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC23CCOCC3)CC[N@H+]1C ZINC000558618998 327108733 /nfs/dbraw/zinc/10/87/33/327108733.db2.gz ZHMHKAGJVSZPMV-HZSPNIEDSA-N 2 1 252.402 2.018 20 0 CEADMP CC1=CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000560478519 327312911 /nfs/dbraw/zinc/31/29/11/327312911.db2.gz TVYQCJINOVUDHB-JKSUJKDBSA-N 2 1 266.429 2.312 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)C[C@@H]1C ZINC000359209822 521719103 /nfs/dbraw/zinc/71/91/03/521719103.db2.gz LHADMAFJOCQFLX-HOCLYGCPSA-N 3 1 267.461 2.181 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CCC2CC[NH2+]CC2)C[C@@H]1C ZINC000359209822 521719104 /nfs/dbraw/zinc/71/91/04/521719104.db2.gz LHADMAFJOCQFLX-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)C[C@@H]1C ZINC000359209822 521719105 /nfs/dbraw/zinc/71/91/05/521719105.db2.gz LHADMAFJOCQFLX-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP COc1ccccc1/C=C\C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357087026 533958377 /nfs/dbraw/zinc/95/83/77/533958377.db2.gz SDKRCKCMIQJXSU-HVLYNSROSA-N 2 1 272.392 2.250 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357087026 533958389 /nfs/dbraw/zinc/95/83/89/533958389.db2.gz SDKRCKCMIQJXSU-HVLYNSROSA-N 2 1 272.392 2.250 20 0 CEADMP Cn1nnc2cc(C[N@H+]3CCCC34CC[NH+](C)CC4)ccc21 ZINC000355046788 534348894 /nfs/dbraw/zinc/34/88/94/534348894.db2.gz CGCKZWUOXOKCSV-UHFFFAOYSA-N 2 1 299.422 2.029 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000063583115 519609409 /nfs/dbraw/zinc/60/94/09/519609409.db2.gz JVKHIOQESZLXLQ-HUUCEWRRSA-N 2 1 297.487 2.199 20 0 CEADMP CC(=O)Oc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000366533971 519759103 /nfs/dbraw/zinc/75/91/03/519759103.db2.gz JOTUEDYDDIPCIW-KRWDZBQOSA-N 2 1 288.391 2.140 20 0 CEADMP CC(=O)Oc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000366533971 519759104 /nfs/dbraw/zinc/75/91/04/519759104.db2.gz JOTUEDYDDIPCIW-KRWDZBQOSA-N 2 1 288.391 2.140 20 0 CEADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000366533971 519759106 /nfs/dbraw/zinc/75/91/06/519759106.db2.gz JOTUEDYDDIPCIW-KRWDZBQOSA-N 2 1 288.391 2.140 20 0 CEADMP CC(=O)Oc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000366533971 519759107 /nfs/dbraw/zinc/75/91/07/519759107.db2.gz JOTUEDYDDIPCIW-KRWDZBQOSA-N 2 1 288.391 2.140 20 0 CEADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000370578429 519764539 /nfs/dbraw/zinc/76/45/39/519764539.db2.gz XXDADWNUXPATGV-YESZJQIVSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000411434448 534473909 /nfs/dbraw/zinc/47/39/09/534473909.db2.gz BWKJPSRIPFVLIJ-QAPCUYQASA-N 2 1 288.435 2.485 20 0 CEADMP CCO[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000050953643 520318574 /nfs/dbraw/zinc/31/85/74/520318574.db2.gz GKLUIQZTLLWETI-OAHLLOKOSA-N 2 1 254.418 2.267 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CC[NH2+]CC2)C[C@@H]1C ZINC000359209822 521719100 /nfs/dbraw/zinc/71/91/00/521719100.db2.gz LHADMAFJOCQFLX-HOCLYGCPSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2CC[NH2+]CC2)C[C@@H]1C ZINC000359209822 521719101 /nfs/dbraw/zinc/71/91/01/521719101.db2.gz LHADMAFJOCQFLX-HOCLYGCPSA-N 3 1 267.461 2.181 20 0 CEADMP CC[C@@H](C)[NH+](C)CC1(C[N@H+](C)[C@@H](C)CC)COC1 ZINC000157935301 522049834 /nfs/dbraw/zinc/04/98/34/522049834.db2.gz VUJPOESNLZZFGF-OKILXGFUSA-N 2 1 256.434 2.464 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC1(C[NH+](C)[C@@H](C)CC)COC1 ZINC000157935301 522049843 /nfs/dbraw/zinc/04/98/43/522049843.db2.gz VUJPOESNLZZFGF-OKILXGFUSA-N 2 1 256.434 2.464 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC1(C[NH+](C)[C@@H](C)CC)COC1 ZINC000157935301 522049852 /nfs/dbraw/zinc/04/98/52/522049852.db2.gz VUJPOESNLZZFGF-OKILXGFUSA-N 2 1 256.434 2.464 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400462945 534690112 /nfs/dbraw/zinc/69/01/12/534690112.db2.gz RZEBWPQFCIARQM-OCCSQVGLSA-N 2 1 272.396 2.075 20 0 CEADMP CO[C@H](C)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000363708388 523880145 /nfs/dbraw/zinc/88/01/45/523880145.db2.gz DKOSQYXRPKEWRG-KGLIPLIRSA-N 2 1 266.429 2.218 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000358163990 523974685 /nfs/dbraw/zinc/97/46/85/523974685.db2.gz JCTXURWBPJDEQK-CYBMUJFWSA-N 2 1 289.206 2.150 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000358163990 523974689 /nfs/dbraw/zinc/97/46/89/523974689.db2.gz JCTXURWBPJDEQK-CYBMUJFWSA-N 2 1 289.206 2.150 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000157229371 524898168 /nfs/dbraw/zinc/89/81/68/524898168.db2.gz OXQKDXFPYCVOAZ-ABAIWWIYSA-N 2 1 268.351 2.437 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c(C)s1 ZINC000049506942 525466508 /nfs/dbraw/zinc/46/65/08/525466508.db2.gz YXDWXGAVTBOHCX-OCCSQVGLSA-N 2 1 282.453 2.472 20 0 CEADMP c1[nH]c2nccnc2c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000365660132 526606353 /nfs/dbraw/zinc/60/63/53/526606353.db2.gz FCQKNLFTSKXJNE-UHFFFAOYSA-N 2 1 285.395 2.016 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150786179 527668746 /nfs/dbraw/zinc/66/87/46/527668746.db2.gz USVCJKSPEQFIRU-CYBMUJFWSA-N 2 1 294.361 2.373 20 0 CEADMP FC(F)c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000261800970 527699136 /nfs/dbraw/zinc/69/91/36/527699136.db2.gz YSICKBSVGHKVOT-OAHLLOKOSA-N 2 1 295.377 2.104 20 0 CEADMP CCC[NH+]1CCC(NCC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000160058259 528202201 /nfs/dbraw/zinc/20/22/01/528202201.db2.gz NQBFZOMFPVFMCK-AWEZNQCLSA-N 2 1 255.450 2.181 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000357486567 528210621 /nfs/dbraw/zinc/21/06/21/528210621.db2.gz MWRUICWRAFMLNQ-LSDHHAIUSA-N 2 1 297.487 2.390 20 0 CEADMP CCCCNC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116397457 528538566 /nfs/dbraw/zinc/53/85/66/528538566.db2.gz IVJQXECHCLZFPT-KBPBESRZSA-N 2 1 285.476 2.247 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000356096097 529012789 /nfs/dbraw/zinc/01/27/89/529012789.db2.gz RNENGUGLEPJODF-KGLIPLIRSA-N 2 1 283.460 2.144 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000168641669 529216559 /nfs/dbraw/zinc/21/65/59/529216559.db2.gz MRXFMPNWNHBKMX-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000357548829 529249535 /nfs/dbraw/zinc/24/95/35/529249535.db2.gz BPDPBNAIVJPTII-ZBFHGGJFSA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000354987807 529316642 /nfs/dbraw/zinc/31/66/42/529316642.db2.gz ITXZWSBQTMZPIL-LLVKDONJSA-N 2 1 282.350 2.418 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])c2C1 ZINC000192105704 535000624 /nfs/dbraw/zinc/00/06/24/535000624.db2.gz LYJQYRNLXWDJCU-VXGBXAGGSA-N 2 1 275.396 2.334 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])c2C1 ZINC000192105704 535000633 /nfs/dbraw/zinc/00/06/33/535000633.db2.gz LYJQYRNLXWDJCU-VXGBXAGGSA-N 2 1 275.396 2.334 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(=O)C(C)(C)C)C1 ZINC000753732701 574515016 /nfs/dbraw/zinc/51/50/16/574515016.db2.gz NBZBJNSKIGPBMX-HNNXBMFYSA-N 2 1 298.471 2.424 20 0 CEADMP CCC/C(C)=C\C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732779585 574629730 /nfs/dbraw/zinc/62/97/30/574629730.db2.gz XSIJCNNDEMVMDZ-ZSMUJPCHSA-N 2 1 293.455 2.018 20 0 CEADMP CCC/C(C)=C\C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732779585 574629732 /nfs/dbraw/zinc/62/97/32/574629732.db2.gz XSIJCNNDEMVMDZ-ZSMUJPCHSA-N 2 1 293.455 2.018 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000738427856 574862193 /nfs/dbraw/zinc/86/21/93/574862193.db2.gz TYQUQXJUAKUXRF-JYJNAYRXSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000738427856 574862195 /nfs/dbraw/zinc/86/21/95/574862195.db2.gz TYQUQXJUAKUXRF-JYJNAYRXSA-N 2 1 268.445 2.344 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000742902563 575037224 /nfs/dbraw/zinc/03/72/24/575037224.db2.gz YRYQLSAFKYLOQO-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C(=O)CC23CCC3)CC1 ZINC000743366725 575051629 /nfs/dbraw/zinc/05/16/29/575051629.db2.gz ZYCVCKFMGAZPHZ-UHFFFAOYSA-N 2 1 293.455 2.151 20 0 CEADMP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000743869133 575111840 /nfs/dbraw/zinc/11/18/40/575111840.db2.gz LZZQNUDHMDVAKL-RBSFLKMASA-N 2 1 286.485 2.049 20 0 CEADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000743869133 575111841 /nfs/dbraw/zinc/11/18/41/575111841.db2.gz LZZQNUDHMDVAKL-RBSFLKMASA-N 2 1 286.485 2.049 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCc1cccs1 ZINC000749535756 575224419 /nfs/dbraw/zinc/22/44/19/575224419.db2.gz UAGIIHCLAROAJC-FVQBIDKESA-N 2 1 294.464 2.474 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)C(C)(C)C)C1 ZINC000753732785 575337895 /nfs/dbraw/zinc/33/78/95/575337895.db2.gz OFNLCTSIHLEVPA-ZDUSSCGKSA-N 2 1 254.418 2.265 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)C(C)(C)C)C1 ZINC000753732785 575337896 /nfs/dbraw/zinc/33/78/96/575337896.db2.gz OFNLCTSIHLEVPA-ZDUSSCGKSA-N 2 1 254.418 2.265 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)C(C)(C)C)C1 ZINC000753732785 575337898 /nfs/dbraw/zinc/33/78/98/575337898.db2.gz OFNLCTSIHLEVPA-ZDUSSCGKSA-N 2 1 254.418 2.265 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)C(C)(C)C)C1 ZINC000753732785 575337899 /nfs/dbraw/zinc/33/78/99/575337899.db2.gz OFNLCTSIHLEVPA-ZDUSSCGKSA-N 2 1 254.418 2.265 20 0 CEADMP CC(C)[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981338319 613980666 /nfs/dbraw/zinc/98/06/66/613980666.db2.gz VWAFUJKWQQLYBN-GJZGRUSLSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)C[N@@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC000971719620 614073021 /nfs/dbraw/zinc/07/30/21/614073021.db2.gz KTGSLQAQGUXLBS-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000971719620 614073023 /nfs/dbraw/zinc/07/30/23/614073023.db2.gz KTGSLQAQGUXLBS-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000971719620 614073025 /nfs/dbraw/zinc/07/30/25/614073025.db2.gz KTGSLQAQGUXLBS-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981524766 614638132 /nfs/dbraw/zinc/63/81/32/614638132.db2.gz HRKJTNAYTYOFPU-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000981524766 614638135 /nfs/dbraw/zinc/63/81/35/614638135.db2.gz HRKJTNAYTYOFPU-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000981524766 614638137 /nfs/dbraw/zinc/63/81/37/614638137.db2.gz HRKJTNAYTYOFPU-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000974903926 614778925 /nfs/dbraw/zinc/77/89/25/614778925.db2.gz ZHPLETKGAOZGGI-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974575929 614781986 /nfs/dbraw/zinc/78/19/86/614781986.db2.gz KFEOYVFCJHFVLL-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974575929 614781987 /nfs/dbraw/zinc/78/19/87/614781987.db2.gz KFEOYVFCJHFVLL-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974575929 614781988 /nfs/dbraw/zinc/78/19/88/614781988.db2.gz KFEOYVFCJHFVLL-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000235416188 625450355 /nfs/dbraw/zinc/45/03/55/625450355.db2.gz ODYSMCBLYYKTQP-INIZCTEOSA-N 2 1 255.365 2.406 20 0 CEADMP C[N@@H+](CCNC(=[NH2+])NC1CCCC1)C1CCCCC1 ZINC000066244735 622655493 /nfs/dbraw/zinc/65/54/93/622655493.db2.gz DAGWAONHKFFJLW-UHFFFAOYSA-N 2 1 266.433 2.307 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000846220050 623360292 /nfs/dbraw/zinc/36/02/92/623360292.db2.gz KCZDLKPKARCYHF-MRXNPFEDSA-N 3 1 267.461 2.313 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261576536 623382816 /nfs/dbraw/zinc/38/28/16/623382816.db2.gz CFRORFGIBOUQLM-ZBFHGGJFSA-N 2 1 260.381 2.269 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261576536 623382821 /nfs/dbraw/zinc/38/28/21/623382821.db2.gz CFRORFGIBOUQLM-ZBFHGGJFSA-N 2 1 260.381 2.269 20 0 CEADMP FC(F)c1cccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000261668347 623427493 /nfs/dbraw/zinc/42/74/93/623427493.db2.gz LCVLSSYOEIWTPC-HNNXBMFYSA-N 2 1 295.377 2.104 20 0 CEADMP C[C@H]1CC[C@H](C)[NH+]1Cc1nc(C2([NH3+])CCCC2)no1 ZINC000261772904 623452554 /nfs/dbraw/zinc/45/25/54/623452554.db2.gz NEZFPCDGWIOUPX-QWRGUYRKSA-N 2 1 264.373 2.170 20 0 CEADMP CO[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C12CCC2 ZINC000308384595 623675058 /nfs/dbraw/zinc/67/50/58/623675058.db2.gz ZHTLEGICICDQSJ-KBPBESRZSA-N 2 1 254.418 2.264 20 0 CEADMP CO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C12CCC2 ZINC000308433179 623687763 /nfs/dbraw/zinc/68/77/63/623687763.db2.gz ZGOZRLUTJLJROF-ZKXZWOTCSA-N 2 1 264.413 2.159 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cnn(C2CCC2)c1 ZINC000926202461 623842487 /nfs/dbraw/zinc/84/24/87/623842487.db2.gz CIAMCJCTKMWIBB-GFCCVEGCSA-N 2 1 273.384 2.235 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000892086538 624305535 /nfs/dbraw/zinc/30/55/35/624305535.db2.gz RMDVSVAOHGGUDJ-KRWDZBQOSA-N 3 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000892237435 624443770 /nfs/dbraw/zinc/44/37/70/624443770.db2.gz YTQQODFKTBBGPS-SJLPKXTDSA-N 2 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000892237435 624443773 /nfs/dbraw/zinc/44/37/73/624443773.db2.gz YTQQODFKTBBGPS-SJLPKXTDSA-N 3 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000892237435 624443774 /nfs/dbraw/zinc/44/37/74/624443774.db2.gz YTQQODFKTBBGPS-SJLPKXTDSA-N 3 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000892237435 624443776 /nfs/dbraw/zinc/44/37/76/624443776.db2.gz YTQQODFKTBBGPS-SJLPKXTDSA-N 3 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000892237435 624443778 /nfs/dbraw/zinc/44/37/78/624443778.db2.gz YTQQODFKTBBGPS-SJLPKXTDSA-N 3 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000892237435 624443781 /nfs/dbraw/zinc/44/37/81/624443781.db2.gz YTQQODFKTBBGPS-SJLPKXTDSA-N 2 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000892237435 624443782 /nfs/dbraw/zinc/44/37/82/624443782.db2.gz YTQQODFKTBBGPS-SJLPKXTDSA-N 2 1 291.483 2.277 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000044529520 624462436 /nfs/dbraw/zinc/46/24/36/624462436.db2.gz JAPIEUGJTFOPQR-HNNXBMFYSA-N 2 1 262.397 2.353 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)CC[C@@H]1C[NH3+] ZINC000161971794 625021544 /nfs/dbraw/zinc/02/15/44/625021544.db2.gz KHUMJOVVGAYLHU-KFWWJZLASA-N 2 1 274.408 2.469 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C(C)(C)CO ZINC000924572562 625933868 /nfs/dbraw/zinc/93/38/68/625933868.db2.gz LELIIDFKDDQUPC-UONOGXRCSA-N 2 1 256.434 2.248 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]C(C)C ZINC001024979374 625936148 /nfs/dbraw/zinc/93/61/48/625936148.db2.gz QEDGZRNEESTNBQ-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001006925002 627285769 /nfs/dbraw/zinc/28/57/69/627285769.db2.gz JPRLSBHETGQBGE-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001006925002 627285774 /nfs/dbraw/zinc/28/57/74/627285774.db2.gz JPRLSBHETGQBGE-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001006925002 627285775 /nfs/dbraw/zinc/28/57/75/627285775.db2.gz JPRLSBHETGQBGE-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)[C@H]1OC ZINC000892585130 627291632 /nfs/dbraw/zinc/29/16/32/627291632.db2.gz QEROGGYBJKIAHB-QBPKDAKJSA-N 2 1 298.471 2.423 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000892613996 627311277 /nfs/dbraw/zinc/31/12/77/627311277.db2.gz OLHBCVDXKRSXCM-CYBMUJFWSA-N 2 1 268.351 2.439 20 0 CEADMP c1cc(C[NH+]2CCCC2)ccc1CN[C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000924582620 627356684 /nfs/dbraw/zinc/35/66/84/627356684.db2.gz LYFQJIDAWNMRKG-RBUKOAKNSA-N 2 1 299.462 2.466 20 0 CEADMP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CN2C[C@@H]1CCC2 ZINC000924582620 627356685 /nfs/dbraw/zinc/35/66/85/627356685.db2.gz LYFQJIDAWNMRKG-RBUKOAKNSA-N 2 1 299.462 2.466 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CC1CC[NH+](C)CC1 ZINC000892668233 627376475 /nfs/dbraw/zinc/37/64/75/627376475.db2.gz DLSUGEXDAXFKHC-HUUCEWRRSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CC1CC[NH+](C)CC1 ZINC000892668233 627376478 /nfs/dbraw/zinc/37/64/78/627376478.db2.gz DLSUGEXDAXFKHC-HUUCEWRRSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C)(O)CC1 ZINC000892669980 627381548 /nfs/dbraw/zinc/38/15/48/627381548.db2.gz YTQKNBDXBQHALL-QRNKSROTSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C)(O)CC1 ZINC000892669980 627381551 /nfs/dbraw/zinc/38/15/51/627381551.db2.gz YTQKNBDXBQHALL-QRNKSROTSA-N 2 1 268.445 2.390 20 0 CEADMP CC(C)[N@@H+](Cc1cccs1)C[C@@H](O)C[NH+]1CCCC1 ZINC000311254415 627396447 /nfs/dbraw/zinc/39/64/47/627396447.db2.gz SSPALCDLYCTUFI-AWEZNQCLSA-N 2 1 282.453 2.415 20 0 CEADMP CC(C)[N@H+](Cc1cccs1)C[C@@H](O)C[NH+]1CCCC1 ZINC000311254415 627396448 /nfs/dbraw/zinc/39/64/48/627396448.db2.gz SSPALCDLYCTUFI-AWEZNQCLSA-N 2 1 282.453 2.415 20 0 CEADMP C[N@@H+](CCN[C@@H]1CC[NH2+]CC(C)(C)C1)C1CCCC1 ZINC000902316919 634580457 /nfs/dbraw/zinc/58/04/57/634580457.db2.gz JGTZSTBXMVLWMN-CQSZACIVSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)N1CCC(C)CC1 ZINC000902326715 634589409 /nfs/dbraw/zinc/58/94/09/634589409.db2.gz DHKSWRLXBWDBHI-HOTGVXAUSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000314240825 627891769 /nfs/dbraw/zinc/89/17/69/627891769.db2.gz RAUQORLQOIXZDH-AESZEHBQSA-N 2 1 295.471 2.144 20 0 CEADMP COc1ccccc1[C@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360620 634615842 /nfs/dbraw/zinc/61/58/42/634615842.db2.gz HZSYLOSWYSUEKK-ZFWWWQNUSA-N 2 1 292.423 2.096 20 0 CEADMP CC1(C)C[C@@H]([NH2+]CCC[NH+]2CCCCC2)C[C@@H]([NH3+])C1 ZINC000925518652 628067680 /nfs/dbraw/zinc/06/76/80/628067680.db2.gz JSRJBMYTDVVDOY-CABCVRRESA-N 3 1 267.461 2.358 20 0 CEADMP COc1cc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1C ZINC000925519514 628070021 /nfs/dbraw/zinc/07/00/21/628070021.db2.gz DCFSBQCPWPSLLN-INIZCTEOSA-N 2 1 274.408 2.420 20 0 CEADMP CC[C@@](O)(C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C(F)(F)F ZINC000930602189 628134332 /nfs/dbraw/zinc/13/43/32/628134332.db2.gz MUYINUSHHMHELO-QWHCGFSZSA-N 2 1 294.361 2.108 20 0 CEADMP CC[C@@](O)(C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C(F)(F)F ZINC000930602189 628134335 /nfs/dbraw/zinc/13/43/35/628134335.db2.gz MUYINUSHHMHELO-QWHCGFSZSA-N 2 1 294.361 2.108 20 0 CEADMP CC[C@@](O)(C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)C(F)(F)F ZINC000930602189 628134339 /nfs/dbraw/zinc/13/43/39/628134339.db2.gz MUYINUSHHMHELO-QWHCGFSZSA-N 2 1 294.361 2.108 20 0 CEADMP CC[C@@](O)(C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)C(F)(F)F ZINC000930602189 628134344 /nfs/dbraw/zinc/13/43/44/628134344.db2.gz MUYINUSHHMHELO-QWHCGFSZSA-N 2 1 294.361 2.108 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925542780 628174914 /nfs/dbraw/zinc/17/49/14/628174914.db2.gz OXXHEQCQSVFLHU-RDJZCZTQSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925556694 628221595 /nfs/dbraw/zinc/22/15/95/628221595.db2.gz JGOJWDZCUAUITM-QKPAOTATSA-N 2 1 279.472 2.214 20 0 CEADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2([NH3+])CC2)cc1OC ZINC000902403776 634640472 /nfs/dbraw/zinc/64/04/72/634640472.db2.gz BGGMWCAIYAJBDA-RYUDHWBXSA-N 2 1 278.396 2.277 20 0 CEADMP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775362059 628250340 /nfs/dbraw/zinc/25/03/40/628250340.db2.gz FAQSPFIPFXMHPM-WOPDTQHZSA-N 2 1 274.499 2.296 20 0 CEADMP COc1cccc(OCCC[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925580744 628258953 /nfs/dbraw/zinc/25/89/53/628258953.db2.gz METNECDEUYSMBD-CJNGLKHVSA-N 2 1 278.396 2.194 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2cnc(F)cc2C)CC1 ZINC000893324245 628318772 /nfs/dbraw/zinc/31/87/72/628318772.db2.gz QJOGEOIUMVXAIR-UHFFFAOYSA-N 2 1 265.376 2.493 20 0 CEADMP CCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001026502718 628340105 /nfs/dbraw/zinc/34/01/05/628340105.db2.gz APSNGZHNFVUNPS-UYSNPLJNSA-N 2 1 295.471 2.288 20 0 CEADMP Cc1csc([C@H](C)C[NH2+][C@H]2CCC[NH2+][C@H]2C)n1 ZINC000925647182 628348604 /nfs/dbraw/zinc/34/86/04/628348604.db2.gz ACDWHDMFEAVETN-USWWRNFRSA-N 2 1 253.415 2.285 20 0 CEADMP C[C@@](O)(C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CCCCC1 ZINC000925657028 628364610 /nfs/dbraw/zinc/36/46/10/628364610.db2.gz HNZZRMMTGICRSR-LSDHHAIUSA-N 2 1 266.429 2.192 20 0 CEADMP OC[C@]1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)C[C@@H]1c1ccccc1 ZINC000925669195 628451234 /nfs/dbraw/zinc/45/12/34/628451234.db2.gz QLKXECPVSHGMQY-BRWVUGGUSA-N 2 1 286.419 2.027 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000925674455 628457030 /nfs/dbraw/zinc/45/70/30/628457030.db2.gz AAVNJCAGEXZUDE-LLVKDONJSA-N 2 1 287.329 2.373 20 0 CEADMP CCO[C@H](C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)C1CC1 ZINC000931319643 628520421 /nfs/dbraw/zinc/52/04/21/628520421.db2.gz YQNSZZYQHHZLOA-PMPSAXMXSA-N 2 1 266.429 2.075 20 0 CEADMP COc1ccnc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000925703881 628546274 /nfs/dbraw/zinc/54/62/74/628546274.db2.gz FFUVLYUTFJNMLY-LBPRGKRZSA-N 2 1 261.369 2.003 20 0 CEADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925714068 628568100 /nfs/dbraw/zinc/56/81/00/628568100.db2.gz NMPCNMUNOCMEOJ-NWANDNLSSA-N 2 1 288.391 2.378 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCC(C)(C)O3)C[C@@H]2C1 ZINC000931442310 628582620 /nfs/dbraw/zinc/58/26/20/628582620.db2.gz BURDBZMHSFJYCY-QLFBSQMISA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCCC(C)(C)O3)C[C@@H]2C1 ZINC000931442310 628582623 /nfs/dbraw/zinc/58/26/23/628582623.db2.gz BURDBZMHSFJYCY-QLFBSQMISA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCCC(C)(C)O3)C[C@@H]2C1 ZINC000931442310 628582628 /nfs/dbraw/zinc/58/26/28/628582628.db2.gz BURDBZMHSFJYCY-QLFBSQMISA-N 2 1 266.429 2.218 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)cc1OC ZINC000902448020 634671613 /nfs/dbraw/zinc/67/16/13/634671613.db2.gz WVRMWVRZLWPVTA-BLLLJJGKSA-N 2 1 292.423 2.222 20 0 CEADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902448685 634672502 /nfs/dbraw/zinc/67/25/02/634672502.db2.gz GVUWSNSRQKXSOO-MLGOLLRUSA-N 2 1 286.423 2.472 20 0 CEADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000925734552 628692063 /nfs/dbraw/zinc/69/20/63/628692063.db2.gz AOSFUFWRBHXIPJ-MWQQHZPXSA-N 2 1 274.408 2.494 20 0 CEADMP CC1(C)CC[N@@H+](CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000902456080 634678205 /nfs/dbraw/zinc/67/82/05/634678205.db2.gz NSNWJHPICCAJDZ-ARFHVFGLSA-N 2 1 279.472 2.229 20 0 CEADMP CC1(C)CCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000902456080 634678210 /nfs/dbraw/zinc/67/82/10/634678210.db2.gz NSNWJHPICCAJDZ-ARFHVFGLSA-N 2 1 279.472 2.229 20 0 CEADMP Cc1ccc(OCC[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000093873912 628726459 /nfs/dbraw/zinc/72/64/59/628726459.db2.gz NHJLFIBCNKZPOR-UHFFFAOYSA-N 2 1 250.386 2.291 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000925769008 628762863 /nfs/dbraw/zinc/76/28/63/628762863.db2.gz AFFJHQGVVTYMPS-RDBSUJKOSA-N 2 1 284.350 2.248 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1c[nH+]ccc1N ZINC000925772706 628778737 /nfs/dbraw/zinc/77/87/37/628778737.db2.gz UCOJWFIBIGNRET-YMTOWFKASA-N 2 1 293.317 2.157 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469590 634686722 /nfs/dbraw/zinc/68/67/22/634686722.db2.gz YBISOMJAZHGNPJ-UKNAQKAOSA-N 2 1 299.462 2.380 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3cccnc32)CC[C@@H]1[NH3+] ZINC000094338872 628822458 /nfs/dbraw/zinc/82/24/58/628822458.db2.gz NEAJYZPVJXCKHE-WFASDCNBSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc[nH]1 ZINC000902502919 634693364 /nfs/dbraw/zinc/69/33/64/634693364.db2.gz VQSJLMHSUCVGRO-DXCKQFNASA-N 2 1 298.390 2.316 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(Br)cc2)CCC1 ZINC000261589915 628942864 /nfs/dbraw/zinc/94/28/64/628942864.db2.gz UDOBBIRUXVXIEV-UHFFFAOYSA-N 2 1 269.186 2.420 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000925880000 628979380 /nfs/dbraw/zinc/97/93/80/628979380.db2.gz FVGYSRVUWWOTHI-KBRIMQKVSA-N 2 1 274.408 2.278 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000925880738 628980277 /nfs/dbraw/zinc/98/02/77/628980277.db2.gz NZBAFHXDDLLABC-JKSUJKDBSA-N 2 1 274.408 2.421 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000414198795 628989652 /nfs/dbraw/zinc/98/96/52/628989652.db2.gz WLHNBEWAXBWAFH-JSGCOSHPSA-N 2 1 262.401 2.109 20 0 CEADMP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3[nH]ncc32)C1 ZINC000414198795 628989653 /nfs/dbraw/zinc/98/96/53/628989653.db2.gz WLHNBEWAXBWAFH-JSGCOSHPSA-N 2 1 262.401 2.109 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3[nH]ncc32)C1 ZINC000414198795 628989654 /nfs/dbraw/zinc/98/96/54/628989654.db2.gz WLHNBEWAXBWAFH-JSGCOSHPSA-N 2 1 262.401 2.109 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2n[nH]c(C)c2C)[C@H](C)C1 ZINC000894050042 629102847 /nfs/dbraw/zinc/10/28/47/629102847.db2.gz LCOTYNHDVCVNNA-ABAIWWIYSA-N 2 1 264.417 2.189 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000902514543 634708796 /nfs/dbraw/zinc/70/87/96/634708796.db2.gz PGVKJLSHQJDNAZ-ZNMIVQPWSA-N 2 1 269.477 2.458 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCOc1cccc(F)c1 ZINC000902516059 634710524 /nfs/dbraw/zinc/71/05/24/634710524.db2.gz AKKUTXOIATZCJN-SWLSCSKDSA-N 2 1 266.360 2.325 20 0 CEADMP CNc1ccccc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000902527260 634715177 /nfs/dbraw/zinc/71/51/77/634715177.db2.gz HLBJWCLQDJSWDM-HNNXBMFYSA-N 2 1 291.439 2.319 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC000924954964 629292904 /nfs/dbraw/zinc/29/29/04/629292904.db2.gz YQPMPIYCRWJSAU-STQMWFEESA-N 2 1 290.415 2.351 20 0 CEADMP CC[C@@H]1COC[C@H]1[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000924958684 629296782 /nfs/dbraw/zinc/29/67/82/629296782.db2.gz GGNYJPYVWJSFPU-RBSFLKMASA-N 2 1 254.418 2.121 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000924960341 629297603 /nfs/dbraw/zinc/29/76/03/629297603.db2.gz PNIZBJQQQSHOJW-HRCADAONSA-N 2 1 295.471 2.288 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000924960341 629297604 /nfs/dbraw/zinc/29/76/04/629297604.db2.gz PNIZBJQQQSHOJW-HRCADAONSA-N 2 1 295.471 2.288 20 0 CEADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CC(F)(F)C1 ZINC000894376950 629407593 /nfs/dbraw/zinc/40/75/93/629407593.db2.gz XEBVBSUNAGRSRM-CYBMUJFWSA-N 2 1 289.414 2.037 20 0 CEADMP C[C@@H](C[N@@H+](C)CC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000319977607 629660178 /nfs/dbraw/zinc/66/01/78/629660178.db2.gz JDMHBKXIKPYVPE-ZDUSSCGKSA-N 2 1 284.444 2.238 20 0 CEADMP CO[C@@]1(C(F)(F)F)CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000880306158 629670861 /nfs/dbraw/zinc/67/08/61/629670861.db2.gz MTMXXZONXPMBDK-RYUDHWBXSA-N 2 1 280.334 2.124 20 0 CEADMP Cn1ncc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1C1CC1 ZINC000894860346 629698549 /nfs/dbraw/zinc/69/85/49/629698549.db2.gz BBMVQJOWYQSCIV-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CC(C)(C(=O)NCC[N@H+]1CCCC1(C)C)[NH+]1CCCCC1 ZINC000909435920 629853574 /nfs/dbraw/zinc/85/35/74/629853574.db2.gz UYFIAPQVQGBISF-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000909440341 629865646 /nfs/dbraw/zinc/86/56/46/629865646.db2.gz UEOMTVRVGJHEGA-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000909440341 629865651 /nfs/dbraw/zinc/86/56/51/629865651.db2.gz UEOMTVRVGJHEGA-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000909440341 629865655 /nfs/dbraw/zinc/86/56/55/629865655.db2.gz UEOMTVRVGJHEGA-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)n(C)n1 ZINC000793527262 629898604 /nfs/dbraw/zinc/89/86/04/629898604.db2.gz PJFSLUGSTDLBOD-LSDHHAIUSA-N 2 1 278.444 2.500 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)n(C)n1 ZINC000793527262 629898606 /nfs/dbraw/zinc/89/86/06/629898606.db2.gz PJFSLUGSTDLBOD-LSDHHAIUSA-N 2 1 278.444 2.500 20 0 CEADMP C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1OCCCO1 ZINC000749512571 629913733 /nfs/dbraw/zinc/91/37/33/629913733.db2.gz AVLRKKNHDUSGRA-HOCLYGCPSA-N 2 1 294.439 2.088 20 0 CEADMP C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1OCCCO1 ZINC000749512571 629913735 /nfs/dbraw/zinc/91/37/35/629913735.db2.gz AVLRKKNHDUSGRA-HOCLYGCPSA-N 2 1 294.439 2.088 20 0 CEADMP C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1OCCCO1 ZINC000749512571 629913738 /nfs/dbraw/zinc/91/37/38/629913738.db2.gz AVLRKKNHDUSGRA-HOCLYGCPSA-N 2 1 294.439 2.088 20 0 CEADMP CCc1c[nH]c2ncnc(NCCn3cc[nH+]c3C)c12 ZINC000895118249 629919430 /nfs/dbraw/zinc/91/94/30/629919430.db2.gz XWABVWUJIJFDDC-UHFFFAOYSA-N 2 1 270.340 2.089 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOC2CCC2)[C@@H]2CCC[C@H]21 ZINC000796887427 630052591 /nfs/dbraw/zinc/05/25/91/630052591.db2.gz IDUUBMWPVIZMSE-SOUVJXGZSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H](CC[NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[NH+](C)C ZINC000895294380 630083513 /nfs/dbraw/zinc/08/35/13/630083513.db2.gz PMRRGSWNZWVXNL-ZDUSSCGKSA-N 2 1 289.423 2.025 20 0 CEADMP C[C@H](CC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)[NH+](C)C ZINC000895292646 630084589 /nfs/dbraw/zinc/08/45/89/630084589.db2.gz SVMGFILNLNYVJB-PBHICJAKSA-N 2 1 292.423 2.284 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnn2c1CCC2 ZINC000895381627 630153128 /nfs/dbraw/zinc/15/31/28/630153128.db2.gz VCIZCNHSVPZRKJ-HOCLYGCPSA-N 2 1 290.455 2.382 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnn2c1CCC2 ZINC000895381627 630153131 /nfs/dbraw/zinc/15/31/31/630153131.db2.gz VCIZCNHSVPZRKJ-HOCLYGCPSA-N 2 1 290.455 2.382 20 0 CEADMP Nc1cc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c(Cl)c[nH+]1 ZINC000895565231 630257850 /nfs/dbraw/zinc/25/78/50/630257850.db2.gz PPNAWAIATHPABX-ZYHUDNBSSA-N 2 1 298.843 2.309 20 0 CEADMP Nc1cc(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c(Cl)c[nH+]1 ZINC000895565231 630257854 /nfs/dbraw/zinc/25/78/54/630257854.db2.gz PPNAWAIATHPABX-ZYHUDNBSSA-N 2 1 298.843 2.309 20 0 CEADMP CCOc1ccc(CNC[C@@H]2CCCC[N@@H+](C)C2)o1 ZINC000895587026 630262300 /nfs/dbraw/zinc/26/23/00/630262300.db2.gz FSUDCUBNFYRXBB-ZDUSSCGKSA-N 2 1 266.385 2.500 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)CC1 ZINC000895845550 630368849 /nfs/dbraw/zinc/36/88/49/630368849.db2.gz WSSAOWQOPPZPRG-ZIAGYGMSSA-N 2 1 254.443 2.013 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@@H](C(F)(F)F)O1 ZINC000895939527 630412819 /nfs/dbraw/zinc/41/28/19/630412819.db2.gz ONJLOBBTFWHCFU-YPMHNXCESA-N 2 1 294.361 2.370 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)CCO1 ZINC000903977529 635395170 /nfs/dbraw/zinc/39/51/70/635395170.db2.gz SBCKBEUJTABFGX-LXTVHRRPSA-N 2 1 254.418 2.108 20 0 CEADMP Cc1cccn2c(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cnc12 ZINC000903977194 635395288 /nfs/dbraw/zinc/39/52/88/635395288.db2.gz LJNPQMZSGKNMFW-ZIAGYGMSSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799196788 630996403 /nfs/dbraw/zinc/99/64/03/630996403.db2.gz XDJRCYADPQCGQX-HNNXBMFYSA-N 2 1 270.380 2.466 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799196788 630996405 /nfs/dbraw/zinc/99/64/05/630996405.db2.gz XDJRCYADPQCGQX-HNNXBMFYSA-N 2 1 270.380 2.466 20 0 CEADMP CC(C)C[C@@H]1COCC[N@@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904320461 635566474 /nfs/dbraw/zinc/56/64/74/635566474.db2.gz ICMSTSKQYWEOCM-HUUCEWRRSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)C[C@@H]1COCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904320461 635566477 /nfs/dbraw/zinc/56/64/77/635566477.db2.gz ICMSTSKQYWEOCM-HUUCEWRRSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)Cc2ccccc2)CC[N@@H+]1C ZINC000799730216 631071771 /nfs/dbraw/zinc/07/17/71/631071771.db2.gz CNEOIOGPKOIKNK-OIISXLGYSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)Cc2ccccc2)CC[N@H+]1C ZINC000799730216 631071775 /nfs/dbraw/zinc/07/17/75/631071775.db2.gz CNEOIOGPKOIKNK-OIISXLGYSA-N 2 1 276.424 2.052 20 0 CEADMP CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000985521485 631118713 /nfs/dbraw/zinc/11/87/13/631118713.db2.gz NPUJWNOGIFVPME-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000985521485 631118715 /nfs/dbraw/zinc/11/87/15/631118715.db2.gz NPUJWNOGIFVPME-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000985521485 631118717 /nfs/dbraw/zinc/11/87/17/631118717.db2.gz NPUJWNOGIFVPME-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@@H+](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000985687542 631173290 /nfs/dbraw/zinc/17/32/90/631173290.db2.gz XCBGKZGVWISHAO-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+](CCCO)C1CC[NH+](CCSC(C)(C)C)CC1 ZINC000801922271 631356840 /nfs/dbraw/zinc/35/68/40/631356840.db2.gz UYBMZGQUZDGXMO-UHFFFAOYSA-N 2 1 288.501 2.297 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](CCSC(C)(C)C)CC1 ZINC000801922271 631356847 /nfs/dbraw/zinc/35/68/47/631356847.db2.gz UYBMZGQUZDGXMO-UHFFFAOYSA-N 2 1 288.501 2.297 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000248843659 631457495 /nfs/dbraw/zinc/45/74/95/631457495.db2.gz QVYSBWTXVHYUDW-HUUCEWRRSA-N 2 1 279.428 2.461 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000248843659 631457499 /nfs/dbraw/zinc/45/74/99/631457499.db2.gz QVYSBWTXVHYUDW-HUUCEWRRSA-N 2 1 279.428 2.461 20 0 CEADMP CC(C)C[NH+](CC(C)C)C[C@H](O)C[NH+]1CCCC1 ZINC000310952313 631564604 /nfs/dbraw/zinc/56/46/04/631564604.db2.gz ODEWJYGBPDRMQW-OAHLLOKOSA-N 2 1 256.434 2.057 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)CC1(C)C ZINC000897503795 631590235 /nfs/dbraw/zinc/59/02/35/631590235.db2.gz RNXYAKZIWWQSOM-SOUVJXGZSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1CO[C@@H](C)C[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251755515 631663589 /nfs/dbraw/zinc/66/35/89/631663589.db2.gz STNDJQKVJKGIPZ-WQGXVZNYSA-N 2 1 252.402 2.016 20 0 CEADMP Cc1ccncc1CCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000897621582 631826626 /nfs/dbraw/zinc/82/66/26/631826626.db2.gz JJDXKRJJDJMMFD-SJORKVTESA-N 2 1 273.424 2.206 20 0 CEADMP Cc1ccncc1CCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000897621582 631826635 /nfs/dbraw/zinc/82/66/35/631826635.db2.gz JJDXKRJJDJMMFD-SJORKVTESA-N 2 1 273.424 2.206 20 0 CEADMP C[C@H]1CC2(CC([NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)C2)CO1 ZINC000897776890 631904827 /nfs/dbraw/zinc/90/48/27/631904827.db2.gz YTYYZZVMQJDJFW-ILGZHXLLSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)C(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000808731501 632007967 /nfs/dbraw/zinc/00/79/67/632007967.db2.gz YXBXPDZRQOHNAK-OAHLLOKOSA-N 2 1 266.429 2.409 20 0 CEADMP CC(C)C(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000808731501 632007974 /nfs/dbraw/zinc/00/79/74/632007974.db2.gz YXBXPDZRQOHNAK-OAHLLOKOSA-N 2 1 266.429 2.409 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000898035759 632030632 /nfs/dbraw/zinc/03/06/32/632030632.db2.gz ZXJNFCWOISRBNH-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000898035759 632030637 /nfs/dbraw/zinc/03/06/37/632030637.db2.gz ZXJNFCWOISRBNH-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000898035759 632030640 /nfs/dbraw/zinc/03/06/40/632030640.db2.gz ZXJNFCWOISRBNH-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000809715249 632132541 /nfs/dbraw/zinc/13/25/41/632132541.db2.gz FEHAXBXXCXTSQM-INIZCTEOSA-N 2 1 296.455 2.384 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000809715249 632132545 /nfs/dbraw/zinc/13/25/45/632132545.db2.gz FEHAXBXXCXTSQM-INIZCTEOSA-N 2 1 296.455 2.384 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@H]1CCC=CO1 ZINC000809738546 632135626 /nfs/dbraw/zinc/13/56/26/632135626.db2.gz YXKZSHDKOVAPDK-DLBZAZTESA-N 2 1 295.471 2.027 20 0 CEADMP CC(C)CC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000809953587 632160685 /nfs/dbraw/zinc/16/06/85/632160685.db2.gz OQJHWBROOLXING-INIZCTEOSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)CC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000809953587 632160687 /nfs/dbraw/zinc/16/06/87/632160687.db2.gz OQJHWBROOLXING-INIZCTEOSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(C)oc2C)CC1 ZINC000163527581 632277512 /nfs/dbraw/zinc/27/75/12/632277512.db2.gz XNPFCMYGLMAWJQ-UHFFFAOYSA-N 2 1 293.455 2.404 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H]1CCC12CCCC2)C[NH+](C)C ZINC000926962654 632390124 /nfs/dbraw/zinc/39/01/24/632390124.db2.gz RKZPSBORKHQHAZ-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CCO[C@@H](C[NH2+][C@H](C)C(C)(C)C(F)F)C[NH+](C)C ZINC000926964946 632394178 /nfs/dbraw/zinc/39/41/78/632394178.db2.gz YLNSTRNXVRRFNX-MNOVXSKESA-N 2 1 266.376 2.223 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCOC2CCSCC2)[C@@H](C)C1 ZINC000898440544 632494293 /nfs/dbraw/zinc/49/42/93/632494293.db2.gz RZBUQCNSDYIVBG-DZGCQCFKSA-N 2 1 286.485 2.219 20 0 CEADMP Cc1cccc2c1[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000924754779 632794001 /nfs/dbraw/zinc/79/40/01/632794001.db2.gz GWUSYIPZTGBODS-JKSUJKDBSA-N 2 1 274.408 2.029 20 0 CEADMP CC[C@@H](C)C[C@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000900005864 633170180 /nfs/dbraw/zinc/17/01/80/633170180.db2.gz MVRJYODJFYGSRP-ZJUUUORDSA-N 2 1 252.362 2.234 20 0 CEADMP CC[C@@H](C)C[C@@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000900005859 633170551 /nfs/dbraw/zinc/17/05/51/633170551.db2.gz MVRJYODJFYGSRP-NXEZZACHSA-N 2 1 252.362 2.234 20 0 CEADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(C)n1 ZINC000817590480 633703496 /nfs/dbraw/zinc/70/34/96/633703496.db2.gz XVNJMNNFUHZWCX-MQVJKMGUSA-N 2 1 259.397 2.413 20 0 CEADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C)n1 ZINC000817590480 633703502 /nfs/dbraw/zinc/70/35/02/633703502.db2.gz XVNJMNNFUHZWCX-MQVJKMGUSA-N 2 1 259.397 2.413 20 0 CEADMP CCCCOC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000817880360 633750269 /nfs/dbraw/zinc/75/02/69/633750269.db2.gz QIKJQFCIODQBEN-IHRRRGAJSA-N 2 1 270.417 2.025 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1c[nH+]ccc1N ZINC000817890774 633753054 /nfs/dbraw/zinc/75/30/54/633753054.db2.gz YRZGTQCDJJCLBP-MEBBXXQBSA-N 2 1 275.327 2.017 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1c[nH+]ccc1N ZINC000817898278 633759721 /nfs/dbraw/zinc/75/97/21/633759721.db2.gz DRZCOGHRLCUDJB-BONVTDFDSA-N 2 1 275.327 2.017 20 0 CEADMP CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C1 ZINC000817900338 633760548 /nfs/dbraw/zinc/76/05/48/633760548.db2.gz OEAZMMREMUBKCB-GMTAPVOTSA-N 2 1 251.399 2.429 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nc2cc(F)ccc2n1C ZINC000817903781 633763890 /nfs/dbraw/zinc/76/38/90/633763890.db2.gz JZUDNDDOIURCGU-DGCLKSJQSA-N 2 1 290.386 2.190 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]Cc1nc(-c2ccccc2)n[nH]1 ZINC000817912385 633769731 /nfs/dbraw/zinc/76/97/31/633769731.db2.gz UJRJIWUKKKBADX-GFCCVEGCSA-N 2 1 273.384 2.079 20 0 CEADMP Fc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000817917110 633776197 /nfs/dbraw/zinc/77/61/97/633776197.db2.gz KYOBWQOZRPDQON-BFHYXJOUSA-N 2 1 263.360 2.231 20 0 CEADMP C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000817924344 633780354 /nfs/dbraw/zinc/78/03/54/633780354.db2.gz QPEVUEAVODRCOO-HYVNUMGLSA-N 2 1 276.424 2.404 20 0 CEADMP C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000817924341 633780805 /nfs/dbraw/zinc/78/08/05/633780805.db2.gz QPEVUEAVODRCOO-BHYGNILZSA-N 2 1 276.424 2.404 20 0 CEADMP Fc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817926812 633782555 /nfs/dbraw/zinc/78/25/55/633782555.db2.gz AIBNMOMQRIUTGE-MGPQQGTHSA-N 2 1 263.360 2.231 20 0 CEADMP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)[C@@H](O)c1ccccc1 ZINC000817927834 633782727 /nfs/dbraw/zinc/78/27/27/633782727.db2.gz QVQCGLTZGQXYNH-IWCQGFGOSA-N 2 1 276.424 2.475 20 0 CEADMP [NH3+]CCc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000817947886 633793796 /nfs/dbraw/zinc/79/37/96/633793796.db2.gz DWHPKTCUYWPEKD-MSOLQXFVSA-N 3 1 281.403 2.422 20 0 CEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000817959884 633801660 /nfs/dbraw/zinc/80/16/60/633801660.db2.gz JUWWGLBSTZYIQX-NHYWBVRUSA-N 2 1 289.379 2.031 20 0 CEADMP CCOc1cccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000817980020 633823058 /nfs/dbraw/zinc/82/30/58/633823058.db2.gz HPAZOCFCKBNPOH-BBRMVZONSA-N 2 1 278.396 2.114 20 0 CEADMP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)n(C)n1 ZINC000817985386 633828052 /nfs/dbraw/zinc/82/80/52/633828052.db2.gz JPEZPVCDCTYAOL-CHWSQXEVSA-N 2 1 262.401 2.054 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000900830312 633860951 /nfs/dbraw/zinc/86/09/51/633860951.db2.gz SQRZBHYNELBFNK-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000900830312 633860952 /nfs/dbraw/zinc/86/09/52/633860952.db2.gz SQRZBHYNELBFNK-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000900830312 633860954 /nfs/dbraw/zinc/86/09/54/633860954.db2.gz SQRZBHYNELBFNK-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000818981443 634027943 /nfs/dbraw/zinc/02/79/43/634027943.db2.gz UFPQRBRNZZXHBC-DOMZBBRYSA-N 2 1 298.377 2.320 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000818981443 634027948 /nfs/dbraw/zinc/02/79/48/634027948.db2.gz UFPQRBRNZZXHBC-DOMZBBRYSA-N 2 1 298.377 2.320 20 0 CEADMP CSCC[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000819085914 634063645 /nfs/dbraw/zinc/06/36/45/634063645.db2.gz JNSXTKJZSDHYOQ-ZBFHGGJFSA-N 2 1 296.480 2.211 20 0 CEADMP CSCC[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000819085914 634063650 /nfs/dbraw/zinc/06/36/50/634063650.db2.gz JNSXTKJZSDHYOQ-ZBFHGGJFSA-N 2 1 296.480 2.211 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC1CCC1 ZINC000819145899 634083005 /nfs/dbraw/zinc/08/30/05/634083005.db2.gz IMSIBQCMDRIJCI-QGZVFWFLSA-N 2 1 276.424 2.259 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC1CCC1 ZINC000819145899 634083010 /nfs/dbraw/zinc/08/30/10/634083010.db2.gz IMSIBQCMDRIJCI-QGZVFWFLSA-N 2 1 276.424 2.259 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000819152487 634086290 /nfs/dbraw/zinc/08/62/90/634086290.db2.gz VEIRDZWPCVVVJE-OAHLLOKOSA-N 2 1 268.445 2.249 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000819219750 634108401 /nfs/dbraw/zinc/10/84/01/634108401.db2.gz GXUJZWUCHCZTFL-WMLDXEAASA-N 2 1 274.408 2.268 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)c1ccccc1)C1CC1 ZINC000819361575 634155179 /nfs/dbraw/zinc/15/51/79/634155179.db2.gz IILVRKLXXDUZSJ-MRXNPFEDSA-N 2 1 262.397 2.184 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)c1ccccc1F)C1CC1 ZINC000819362398 634155711 /nfs/dbraw/zinc/15/57/11/634155711.db2.gz OZCXMEPLBHUYBW-MRXNPFEDSA-N 2 1 280.387 2.323 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000819717939 634242793 /nfs/dbraw/zinc/24/27/93/634242793.db2.gz OIORSNARPSRVIM-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000067821945 634243522 /nfs/dbraw/zinc/24/35/22/634243522.db2.gz DJLDRFHHCRDEGV-NSHDSACASA-N 2 1 284.835 2.197 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902792825 634835536 /nfs/dbraw/zinc/83/55/36/634835536.db2.gz DNLVOXLRQMLXCK-HOTGVXAUSA-N 2 1 279.472 2.182 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1COc2ccccc2C1 ZINC000902958885 634913607 /nfs/dbraw/zinc/91/36/07/634913607.db2.gz WJGWWMFTFZJNTI-UKRRQHHQSA-N 2 1 285.391 2.192 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902992218 634921836 /nfs/dbraw/zinc/92/18/36/634921836.db2.gz HVOKPFXQYSXOQB-FOLNQXHWSA-N 2 1 266.429 2.118 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902992218 634921839 /nfs/dbraw/zinc/92/18/39/634921839.db2.gz HVOKPFXQYSXOQB-FOLNQXHWSA-N 2 1 266.429 2.118 20 0 CEADMP C[N@@H+](CCC[NH2+][C@@H]1CCO[C@@]12CCOC2)C1CCCCC1 ZINC000903062916 634951843 /nfs/dbraw/zinc/95/18/43/634951843.db2.gz ZAKDFUWCJJQWFR-IAGOWNOFSA-N 2 1 296.455 2.179 20 0 CEADMP C([NH2+][C@H]1CCOC12CCCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000903067490 634953282 /nfs/dbraw/zinc/95/32/82/634953282.db2.gz SPUINSFEHPJDHD-HIFRSBDPSA-N 2 1 264.413 2.162 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C[NH+]1CCCC1 ZINC000903075460 634957825 /nfs/dbraw/zinc/95/78/25/634957825.db2.gz WFNOAQKBVZTSTH-UNPWZGGWSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C[NH+]1CCCC1 ZINC000903075460 634957827 /nfs/dbraw/zinc/95/78/27/634957827.db2.gz WFNOAQKBVZTSTH-UNPWZGGWSA-N 3 1 291.483 2.466 20 0 CEADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C[NH+]1CCCC1 ZINC000903075460 634957829 /nfs/dbraw/zinc/95/78/29/634957829.db2.gz WFNOAQKBVZTSTH-UNPWZGGWSA-N 3 1 291.483 2.466 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903077120 634958830 /nfs/dbraw/zinc/95/88/30/634958830.db2.gz YCRPQKPWTGTCQI-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903068674 634965065 /nfs/dbraw/zinc/96/50/65/634965065.db2.gz KARCLFJGBDFEIN-ZACQAIPSSA-N 2 1 296.455 2.179 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903072516 634967076 /nfs/dbraw/zinc/96/70/76/634967076.db2.gz KFOPJTHVBVONEJ-XJKSGUPXSA-N 2 1 259.397 2.464 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903072516 634967081 /nfs/dbraw/zinc/96/70/81/634967081.db2.gz KFOPJTHVBVONEJ-XJKSGUPXSA-N 2 1 259.397 2.464 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903074219 634967762 /nfs/dbraw/zinc/96/77/62/634967762.db2.gz SRNXTKTUPBDBIF-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cn[nH]c1 ZINC000903128765 634983409 /nfs/dbraw/zinc/98/34/09/634983409.db2.gz AVMPNUUUSKGQNO-WAEYWBMLSA-N 2 1 260.385 2.218 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cn[nH]c1 ZINC000903128765 634983414 /nfs/dbraw/zinc/98/34/14/634983414.db2.gz AVMPNUUUSKGQNO-WAEYWBMLSA-N 2 1 260.385 2.218 20 0 CEADMP CO[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000903194194 635005539 /nfs/dbraw/zinc/00/55/39/635005539.db2.gz KGRYPYSYIZKEMM-XDNAFOTISA-N 2 1 288.435 2.489 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1COC3(CCC3)C1)C2 ZINC000903199300 635009055 /nfs/dbraw/zinc/00/90/55/635009055.db2.gz AYDTYNHJIGNLEE-XLQNHZQQSA-N 2 1 276.424 2.445 20 0 CEADMP CCC[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903203020 635010987 /nfs/dbraw/zinc/01/09/87/635010987.db2.gz HZJHKXCYIOUMCR-YTTRVJOFSA-N 2 1 277.456 2.218 20 0 CEADMP CCC[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903203020 635010990 /nfs/dbraw/zinc/01/09/90/635010990.db2.gz HZJHKXCYIOUMCR-YTTRVJOFSA-N 2 1 277.456 2.218 20 0 CEADMP CCC[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903203020 635010992 /nfs/dbraw/zinc/01/09/92/635010992.db2.gz HZJHKXCYIOUMCR-YTTRVJOFSA-N 2 1 277.456 2.218 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)CCc2ccccc2)CC1(C)C ZINC000903288649 635052088 /nfs/dbraw/zinc/05/20/88/635052088.db2.gz NBJJBQULZLGHTA-SJORKVTESA-N 2 1 290.451 2.443 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](CO)CCc2ccccc2)CC1 ZINC000903289467 635052820 /nfs/dbraw/zinc/05/28/20/635052820.db2.gz KGBZXEZCVUTUML-QGZVFWFLSA-N 2 1 276.424 2.054 20 0 CEADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CC[N@@H+]2C)CC1 ZINC000903322390 635056831 /nfs/dbraw/zinc/05/68/31/635056831.db2.gz MWPUOOVEVNSTFL-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CC[N@H+]2C)CC1 ZINC000903322390 635056833 /nfs/dbraw/zinc/05/68/33/635056833.db2.gz MWPUOOVEVNSTFL-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCOCC1)c1cccnc1 ZINC000903380341 635093208 /nfs/dbraw/zinc/09/32/08/635093208.db2.gz MHTNZWQUIAIZNW-HZPDHXFCSA-N 2 1 277.412 2.233 20 0 CEADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCOCC1)c1cccnc1 ZINC000903380339 635093875 /nfs/dbraw/zinc/09/38/75/635093875.db2.gz MHTNZWQUIAIZNW-CVEARBPZSA-N 2 1 277.412 2.233 20 0 CEADMP COCCC[C@H](C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903382301 635094538 /nfs/dbraw/zinc/09/45/38/635094538.db2.gz DNCWBTBBBOHMBS-HOCLYGCPSA-N 2 1 279.428 2.479 20 0 CEADMP CCOc1ccc(C[N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903426442 635112519 /nfs/dbraw/zinc/11/25/19/635112519.db2.gz JFAJXXGOUXYCQO-HIFRSBDPSA-N 2 1 262.397 2.373 20 0 CEADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903426004 635113100 /nfs/dbraw/zinc/11/31/00/635113100.db2.gz FPVOTLPGKLJYTE-LZWOXQAQSA-N 2 1 299.422 2.388 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCCOc1ccccc1 ZINC000903430861 635114769 /nfs/dbraw/zinc/11/47/69/635114769.db2.gz FKUHFIDDDVVEIC-CABCVRRESA-N 2 1 262.397 2.243 20 0 CEADMP COC[C@H](C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C(C)C ZINC000903459447 635124930 /nfs/dbraw/zinc/12/49/30/635124930.db2.gz KYWVOIBZFGQQJS-CABCVRRESA-N 2 1 268.445 2.369 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000903459414 635125454 /nfs/dbraw/zinc/12/54/54/635125454.db2.gz JESVEWDDOFKONA-INDMIFKZSA-N 2 1 299.462 2.320 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000903464296 635128398 /nfs/dbraw/zinc/12/83/98/635128398.db2.gz HOQAXJRIDLMPLX-VYDXJSESSA-N 2 1 273.424 2.053 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(C)nn1 ZINC000903453532 635136839 /nfs/dbraw/zinc/13/68/39/635136839.db2.gz AMQXNQGRTYLONS-ZBFHGGJFSA-N 2 1 274.412 2.057 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(C)nn1 ZINC000903453532 635136842 /nfs/dbraw/zinc/13/68/42/635136842.db2.gz AMQXNQGRTYLONS-ZBFHGGJFSA-N 2 1 274.412 2.057 20 0 CEADMP CO[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CCCCC1 ZINC000903470433 635141653 /nfs/dbraw/zinc/14/16/53/635141653.db2.gz BPUTUAGGOZWAPI-GJZGRUSLSA-N 2 1 266.429 2.456 20 0 CEADMP CO[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)C1CCC1 ZINC000903481757 635149407 /nfs/dbraw/zinc/14/94/07/635149407.db2.gz LZNAHNAXPRXHGF-KBPBESRZSA-N 2 1 252.402 2.066 20 0 CEADMP c1ccc([C@]23C[C@H]2C[N@H+](CC[C@@H]2CC[NH2+]C2)C3)cc1 ZINC000903491065 635156254 /nfs/dbraw/zinc/15/62/54/635156254.db2.gz UCOIVZIXTNZGRU-BHYGNILZSA-N 2 1 256.393 2.260 20 0 CEADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CCCC[C@H]2C)C[C@H]1CC[NH3+] ZINC000903497494 635158536 /nfs/dbraw/zinc/15/85/36/635158536.db2.gz ZZRIEAXCCXSIMY-KLHDSHLOSA-N 2 1 268.445 2.498 20 0 CEADMP Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1 ZINC000903510236 635158866 /nfs/dbraw/zinc/15/88/66/635158866.db2.gz FIKUCLSADTXAOE-KDURUIRLSA-N 2 1 299.462 2.396 20 0 CEADMP Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000903510236 635158871 /nfs/dbraw/zinc/15/88/71/635158871.db2.gz FIKUCLSADTXAOE-KDURUIRLSA-N 2 1 299.462 2.396 20 0 CEADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000903510236 635158873 /nfs/dbraw/zinc/15/88/73/635158873.db2.gz FIKUCLSADTXAOE-KDURUIRLSA-N 2 1 299.462 2.396 20 0 CEADMP C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000903566144 635164887 /nfs/dbraw/zinc/16/48/87/635164887.db2.gz JNYVXLRAAYQNPJ-HOCLYGCPSA-N 2 1 262.397 2.230 20 0 CEADMP C[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCCCCC1 ZINC000903718905 635233591 /nfs/dbraw/zinc/23/35/91/635233591.db2.gz TUHGUTCFCDXXQE-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@H+](C[C@@H]1COc2ccccc2O1)C[C@@H]1CCCC[NH2+]C1 ZINC000903718183 635233870 /nfs/dbraw/zinc/23/38/70/635233870.db2.gz HWNNSOPQCWOYQG-HUUCEWRRSA-N 2 1 290.407 2.148 20 0 CEADMP C[N@@H+](C[C@@H]1COc2ccccc2O1)C[C@@H]1CCCC[NH2+]C1 ZINC000903718183 635233872 /nfs/dbraw/zinc/23/38/72/635233872.db2.gz HWNNSOPQCWOYQG-HUUCEWRRSA-N 2 1 290.407 2.148 20 0 CEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722422 635235863 /nfs/dbraw/zinc/23/58/63/635235863.db2.gz AOCNRHGKAGNJPA-HRCADAONSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H](C1CC1)[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903722213 635236520 /nfs/dbraw/zinc/23/65/20/635236520.db2.gz IXAYFWGBYTUYCX-DAXOMENPSA-N 2 1 264.413 2.018 20 0 CEADMP c1cc2c(s1)CC[N@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903725163 635238364 /nfs/dbraw/zinc/23/83/64/635238364.db2.gz XMMNVSNTSYREOZ-AWEZNQCLSA-N 2 1 292.448 2.265 20 0 CEADMP COCC[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CCCC1 ZINC000903725507 635238605 /nfs/dbraw/zinc/23/86/05/635238605.db2.gz BTRSWEPJRNBDSL-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP Cc1ccc(C[N@@H+](C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)s1 ZINC000903729251 635240859 /nfs/dbraw/zinc/24/08/59/635240859.db2.gz LJOCFKATJWCABS-DZGCQCFKSA-N 2 1 280.437 2.257 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903734477 635250686 /nfs/dbraw/zinc/25/06/86/635250686.db2.gz RMDQGQVYDKGUBQ-BZUAXINKSA-N 2 1 266.429 2.267 20 0 CEADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000903733448 635250807 /nfs/dbraw/zinc/25/08/07/635250807.db2.gz KKNBFTXDLRQEEB-XUWVNRHRSA-N 2 1 296.480 2.115 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCCC[NH2+]C1 ZINC000903739591 635252798 /nfs/dbraw/zinc/25/27/98/635252798.db2.gz MLBCDRJVOAYDNA-HZPDHXFCSA-N 3 1 267.461 2.182 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903740931 635254822 /nfs/dbraw/zinc/25/48/22/635254822.db2.gz MNRGYNLGCMXOJX-HZPDHXFCSA-N 2 1 267.461 2.040 20 0 CEADMP CC1CC(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000903763269 635257422 /nfs/dbraw/zinc/25/74/22/635257422.db2.gz JNUBJEDTVZFKNS-SVXVCFNTSA-N 2 1 266.429 2.251 20 0 CEADMP COc1ccc(CC[N@@H+]2CCC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903795487 635261781 /nfs/dbraw/zinc/26/17/81/635261781.db2.gz MNVJWKWHZYVBKW-RDJZCZTQSA-N 2 1 274.408 2.441 20 0 CEADMP COc1ccc(CC[N@H+]2CCC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903795487 635261785 /nfs/dbraw/zinc/26/17/85/635261785.db2.gz MNVJWKWHZYVBKW-RDJZCZTQSA-N 2 1 274.408 2.441 20 0 CEADMP COCC(COC)[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000903782549 635267175 /nfs/dbraw/zinc/26/71/75/635267175.db2.gz PGBORYSPKOTDRS-PBHICJAKSA-N 2 1 298.471 2.267 20 0 CEADMP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000903781257 635267428 /nfs/dbraw/zinc/26/74/28/635267428.db2.gz OYQJVMHHVMTEFV-FRRDWIJNSA-N 2 1 294.361 2.418 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000903781257 635267431 /nfs/dbraw/zinc/26/74/31/635267431.db2.gz OYQJVMHHVMTEFV-FRRDWIJNSA-N 2 1 294.361 2.418 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@H](O)CC1CCCC1 ZINC000903804255 635280707 /nfs/dbraw/zinc/28/07/07/635280707.db2.gz CWUVFECLQNFWHB-ARFHVFGLSA-N 2 1 266.429 2.131 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@H](O)CC1CCCC1 ZINC000903804255 635280709 /nfs/dbraw/zinc/28/07/09/635280709.db2.gz CWUVFECLQNFWHB-ARFHVFGLSA-N 2 1 266.429 2.131 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@H]2CCOC2)CCC1 ZINC000903810572 635284982 /nfs/dbraw/zinc/28/49/82/635284982.db2.gz FGKSVXBXEMBYBP-KGLIPLIRSA-N 2 1 252.402 2.006 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812145 635286298 /nfs/dbraw/zinc/28/62/98/635286298.db2.gz QWWMLQBAMPPUGI-HNNXBMFYSA-N 3 1 267.461 2.489 20 0 CEADMP NCC1([C@@H]2CCCC[N@@H+]2CCCCCC[NH3+])CCC1 ZINC000903812145 635286299 /nfs/dbraw/zinc/28/62/99/635286299.db2.gz QWWMLQBAMPPUGI-HNNXBMFYSA-N 2 1 267.461 2.489 20 0 CEADMP NCC1([C@@H]2CCCC[N@H+]2CCCCCC[NH3+])CCC1 ZINC000903812145 635286304 /nfs/dbraw/zinc/28/63/04/635286304.db2.gz QWWMLQBAMPPUGI-HNNXBMFYSA-N 2 1 267.461 2.489 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000903811583 635286819 /nfs/dbraw/zinc/28/68/19/635286819.db2.gz NLPDHOIPQJFEDR-JKSUJKDBSA-N 3 1 279.472 2.360 20 0 CEADMP NCC1([C@H]2CCCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000903811583 635286826 /nfs/dbraw/zinc/28/68/26/635286826.db2.gz NLPDHOIPQJFEDR-JKSUJKDBSA-N 2 1 279.472 2.360 20 0 CEADMP NCC1([C@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000903811583 635286830 /nfs/dbraw/zinc/28/68/30/635286830.db2.gz NLPDHOIPQJFEDR-JKSUJKDBSA-N 2 1 279.472 2.360 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000903824987 635291993 /nfs/dbraw/zinc/29/19/93/635291993.db2.gz WSBDXCDRJXTAAW-HZPDHXFCSA-N 2 1 284.444 2.166 20 0 CEADMP c1csc(C[C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903831148 635295510 /nfs/dbraw/zinc/29/55/10/635295510.db2.gz FNOFLBINGGPDEQ-CHWSQXEVSA-N 2 1 265.426 2.007 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C(F)(F)F)cn1)C2 ZINC000903841265 635299727 /nfs/dbraw/zinc/29/97/27/635299727.db2.gz COYZMEMWRXGBMY-NDMJEZRESA-N 2 1 285.313 2.412 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCSC(F)(F)F)C2 ZINC000903840769 635299871 /nfs/dbraw/zinc/29/98/71/635299871.db2.gz UIKIENCGOOVVKF-YIZRAAEISA-N 2 1 254.321 2.051 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000903843821 635302576 /nfs/dbraw/zinc/30/25/76/635302576.db2.gz UGHDMQCIJWAJIC-ZOBUZTSGSA-N 2 1 282.391 2.184 20 0 CEADMP COc1ccc(CC[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903855901 635306765 /nfs/dbraw/zinc/30/67/65/635306765.db2.gz QAIBMQJNWMEKEQ-ZBFHGGJFSA-N 2 1 260.381 2.051 20 0 CEADMP COc1ccc(CC[N@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903855901 635306772 /nfs/dbraw/zinc/30/67/72/635306772.db2.gz QAIBMQJNWMEKEQ-ZBFHGGJFSA-N 2 1 260.381 2.051 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2Cc1ccc(-n2cccn2)cc1 ZINC000903857975 635309721 /nfs/dbraw/zinc/30/97/21/635309721.db2.gz WZBQOVPLPBYULP-DOTOQJQBSA-N 2 1 282.391 2.186 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2Cc1ccc(-n2cccn2)cc1 ZINC000903857975 635309729 /nfs/dbraw/zinc/30/97/29/635309729.db2.gz WZBQOVPLPBYULP-DOTOQJQBSA-N 2 1 282.391 2.186 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+])C1CCCCC1 ZINC000903861810 635313421 /nfs/dbraw/zinc/31/34/21/635313421.db2.gz YHRLAFIGFFICFV-ARFHVFGLSA-N 2 1 266.429 2.395 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+])C1CCCCC1 ZINC000903861810 635313426 /nfs/dbraw/zinc/31/34/26/635313426.db2.gz YHRLAFIGFFICFV-ARFHVFGLSA-N 2 1 266.429 2.395 20 0 CEADMP C[C@H](c1ccccc1)[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903876795 635323175 /nfs/dbraw/zinc/32/31/75/635323175.db2.gz ISZVPBOPQWWXTJ-ZBFHGGJFSA-N 2 1 299.422 2.396 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903876795 635323182 /nfs/dbraw/zinc/32/31/82/635323182.db2.gz ISZVPBOPQWWXTJ-ZBFHGGJFSA-N 2 1 299.422 2.396 20 0 CEADMP C[C@]1(C2CC2)COCC[N@H+]1CCCCCCC[NH3+] ZINC000903882282 635324950 /nfs/dbraw/zinc/32/49/50/635324950.db2.gz NIPXWXOIDFQMLU-OAHLLOKOSA-N 2 1 254.418 2.397 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+](CCC(C)C)C2CC2)cnn1C ZINC000903883941 635326356 /nfs/dbraw/zinc/32/63/56/635326356.db2.gz MSGZOAUQCOSJCA-OAHLLOKOSA-N 2 1 292.471 2.356 20 0 CEADMP CC[C@@]1(CO)CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903914856 635328487 /nfs/dbraw/zinc/32/84/87/635328487.db2.gz LIBCMYFPJFWQON-WTXIUTQJSA-N 2 1 266.429 2.002 20 0 CEADMP C([C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)[NH+]1CCCCC1 ZINC000903899654 635334804 /nfs/dbraw/zinc/33/48/04/635334804.db2.gz VSWLHZXIUOEHHS-CSNJMZFVSA-N 3 1 291.483 2.325 20 0 CEADMP [NH3+]CCC[C@H](NC[C@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903919674 635348682 /nfs/dbraw/zinc/34/86/82/635348682.db2.gz PMDAPHMJUNVXIB-OLZOCXBDSA-N 2 1 271.355 2.039 20 0 CEADMP N[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)CC(F)F ZINC000903919674 635348688 /nfs/dbraw/zinc/34/86/88/635348688.db2.gz PMDAPHMJUNVXIB-OLZOCXBDSA-N 2 1 271.355 2.039 20 0 CEADMP [NH3+][C@H](C[NH2+]CCCc1cccc(F)c1)CC(F)F ZINC000903922072 635350326 /nfs/dbraw/zinc/35/03/26/635350326.db2.gz UHNSTGYNTGAWGL-LBPRGKRZSA-N 2 1 260.303 2.330 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903923044 635351887 /nfs/dbraw/zinc/35/18/87/635351887.db2.gz KERZEYCLSDUMPA-GFCCVEGCSA-N 2 1 260.303 2.249 20 0 CEADMP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H]1CCC(C)(C)C1 ZINC000903915814 635363888 /nfs/dbraw/zinc/36/38/88/635363888.db2.gz CAVVBXYWXRDSEV-KBPBESRZSA-N 2 1 291.443 2.213 20 0 CEADMP CCC[C@@]1(CO)CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903916156 635365260 /nfs/dbraw/zinc/36/52/60/635365260.db2.gz QYIINYNCMQPMSJ-SFHVURJKSA-N 2 1 288.435 2.459 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)CCc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000903960119 635369122 /nfs/dbraw/zinc/36/91/22/635369122.db2.gz XOQQKFMJOAQGFE-UKRRQHHQSA-N 2 1 290.407 2.278 20 0 CEADMP COc1ccsc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955517 635388872 /nfs/dbraw/zinc/38/88/72/635388872.db2.gz UFGYOGKROCSODI-VIFPVBQESA-N 2 1 276.352 2.091 20 0 CEADMP Fc1cccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955392 635389260 /nfs/dbraw/zinc/38/92/60/635389260.db2.gz QRGMZFOHKZMMTP-LLVKDONJSA-N 2 1 258.287 2.160 20 0 CEADMP CCC[C@@H](C)C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973981 635391267 /nfs/dbraw/zinc/39/12/67/635391267.db2.gz RKFWMIYBKPGBHT-ZIAGYGMSSA-N 2 1 254.418 2.171 20 0 CEADMP C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964889 635399247 /nfs/dbraw/zinc/39/92/47/635399247.db2.gz XTBKBJGADQFVOA-TYNCELHUSA-N 2 1 250.361 2.344 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c(Cl)c1 ZINC000903965160 635400020 /nfs/dbraw/zinc/40/00/20/635400020.db2.gz YEZROLRSTAMCMC-PWSUYJOCSA-N 2 1 268.788 2.294 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)CC[NH2+]C1 ZINC000903987604 635406953 /nfs/dbraw/zinc/40/69/53/635406953.db2.gz HRNGMNGYZBKJOK-DZGCQCFKSA-N 2 1 279.453 2.397 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904315975 635558348 /nfs/dbraw/zinc/55/83/48/635558348.db2.gz HQHWZPZWMWAHSF-WBVHZDCISA-N 2 1 295.471 2.004 20 0 CEADMP COc1ccccc1C[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313957 635561415 /nfs/dbraw/zinc/56/14/15/635561415.db2.gz OYEQLXCDORKWHA-VNQPRFMTSA-N 2 1 274.408 2.439 20 0 CEADMP c1cn(C2CC2)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000904349601 635582941 /nfs/dbraw/zinc/58/29/41/635582941.db2.gz BGSVOFVRBVDREL-CQSZACIVSA-N 2 1 274.412 2.040 20 0 CEADMP c1cn(C2CC2)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000904349598 635583163 /nfs/dbraw/zinc/58/31/63/635583163.db2.gz BGSVOFVRBVDREL-AWEZNQCLSA-N 2 1 274.412 2.040 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000904359051 635587786 /nfs/dbraw/zinc/58/77/86/635587786.db2.gz WXPNHLVPSFSMHE-DLBZAZTESA-N 3 1 273.424 2.109 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3sc(Cl)cc3C2)C1 ZINC000904374365 635595505 /nfs/dbraw/zinc/59/55/05/635595505.db2.gz RHDHNQVJNVSOSQ-WAAGHKOSSA-N 2 1 256.802 2.497 20 0 CEADMP CC[N@@H+](CCC[NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCCCC1 ZINC000904376218 635601466 /nfs/dbraw/zinc/60/14/66/635601466.db2.gz MUGGXIKZXVTQQM-GASCZTMLSA-N 3 1 267.461 2.358 20 0 CEADMP C[C@@]1(C[N@@H+]2CCc3c(O)cccc3C2)CCC[NH2+]C1 ZINC000904380600 635604854 /nfs/dbraw/zinc/60/48/54/635604854.db2.gz DXNVNYOQEZHHGF-MRXNPFEDSA-N 2 1 260.381 2.140 20 0 CEADMP C[C@@]1(C[N@H+]2CCc3c(O)cccc3C2)CCC[NH2+]C1 ZINC000904380600 635604857 /nfs/dbraw/zinc/60/48/57/635604857.db2.gz DXNVNYOQEZHHGF-MRXNPFEDSA-N 2 1 260.381 2.140 20 0 CEADMP Cc1csc(C[C@H]2CCC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n1 ZINC000904386228 635608783 /nfs/dbraw/zinc/60/87/83/635608783.db2.gz SZRVCVKIGXOWKP-MCIONIFRSA-N 2 1 279.453 2.443 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1C ZINC000904409757 635614834 /nfs/dbraw/zinc/61/48/34/635614834.db2.gz HRYIALDGIMUROX-DZGCQCFKSA-N 2 1 290.407 2.198 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CC[C@H](CC[NH3+])C1)O[C@H](C)C2 ZINC000904409900 635615047 /nfs/dbraw/zinc/61/50/47/635615047.db2.gz KOLLPYUTBHUWDT-OLZOCXBDSA-N 2 1 290.407 2.189 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416073 635621587 /nfs/dbraw/zinc/62/15/87/635621587.db2.gz GEPWJTOPTDXVLY-NVXWUHKLSA-N 2 1 281.488 2.462 20 0 CEADMP C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904576685 635679193 /nfs/dbraw/zinc/67/91/93/635679193.db2.gz JUAUGXKSIHFAAP-AWEZNQCLSA-N 2 1 290.411 2.096 20 0 CEADMP [NH3+]C1(c2noc(C3CC[NH+](Cc4ccccc4)CC3)n2)CC1 ZINC000905318201 636216418 /nfs/dbraw/zinc/21/64/18/636216418.db2.gz FCTSLZHVDRHNPI-UHFFFAOYSA-N 2 1 298.390 2.397 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000905666362 636374491 /nfs/dbraw/zinc/37/44/91/636374491.db2.gz JPYNSQBWFIERNV-XWTMOSNGSA-N 2 1 288.435 2.258 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000905666362 636374498 /nfs/dbraw/zinc/37/44/98/636374498.db2.gz JPYNSQBWFIERNV-XWTMOSNGSA-N 2 1 288.435 2.258 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](Cc2cn(C3CC3)nn2)CC1 ZINC000906255295 636664068 /nfs/dbraw/zinc/66/40/68/636664068.db2.gz WUPVLKCTUWQUQE-UHFFFAOYSA-N 2 1 291.443 2.167 20 0 CEADMP CC[NH+](CC)CCC[N@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829374610 636837204 /nfs/dbraw/zinc/83/72/04/636837204.db2.gz DYRMOASLAGHTRQ-SFHVURJKSA-N 2 1 290.451 2.484 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829374610 636837210 /nfs/dbraw/zinc/83/72/10/636837210.db2.gz DYRMOASLAGHTRQ-SFHVURJKSA-N 2 1 290.451 2.484 20 0 CEADMP C([NH2+][C@H](C1CC1)C1CCCC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000834566982 637870728 /nfs/dbraw/zinc/87/07/28/637870728.db2.gz WLTSIBOXHCRQBR-BBWFWOEESA-N 2 1 278.440 2.408 20 0 CEADMP C([NH2+][C@H](C1CC1)C1CCCC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000834566982 637870735 /nfs/dbraw/zinc/87/07/35/637870735.db2.gz WLTSIBOXHCRQBR-BBWFWOEESA-N 2 1 278.440 2.408 20 0 CEADMP Cc1c(Cl)cccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876817352 650444950 /nfs/dbraw/zinc/44/49/50/650444950.db2.gz FUWAIKIAKOLVEC-BETUJISGSA-N 2 1 250.773 2.300 20 0 CEADMP Cc1c(Cl)cccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876817352 650444952 /nfs/dbraw/zinc/44/49/52/650444952.db2.gz FUWAIKIAKOLVEC-BETUJISGSA-N 2 1 250.773 2.300 20 0 CEADMP ClC1(Cl)C[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000876909285 650482680 /nfs/dbraw/zinc/48/26/80/650482680.db2.gz WQKNFKFVYCSCJT-SECBINFHSA-N 2 1 263.212 2.397 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(CN3C(=O)C(C)(C)C3(C)C)CC[C@@H]21 ZINC000164776170 639395831 /nfs/dbraw/zinc/39/58/31/639395831.db2.gz KTOUDDSQSINFKR-KGLIPLIRSA-N 2 1 293.455 2.007 20 0 CEADMP c1cnc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000226826096 639566351 /nfs/dbraw/zinc/56/63/51/639566351.db2.gz QHNOMKXCEWXJSC-ZNMIVQPWSA-N 2 1 257.381 2.285 20 0 CEADMP c1cnc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000226826096 639566357 /nfs/dbraw/zinc/56/63/57/639566357.db2.gz QHNOMKXCEWXJSC-ZNMIVQPWSA-N 2 1 257.381 2.285 20 0 CEADMP Cc1ccc2c(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cc(=O)oc2c1 ZINC000228159416 639622002 /nfs/dbraw/zinc/62/20/02/639622002.db2.gz MEQFWLYTGUEHQA-QWHCGFSZSA-N 2 1 286.375 2.271 20 0 CEADMP CC(C)n1ncc2cc(C[NH2+]C[C@@H](C)C[NH3+])c(Cl)nc21 ZINC000841049439 639632085 /nfs/dbraw/zinc/63/20/85/639632085.db2.gz RAFNWQATELQOCF-JTQLQIEISA-N 2 1 295.818 2.350 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC000228476355 639637502 /nfs/dbraw/zinc/63/75/02/639637502.db2.gz DTXNUECGXQUIQB-CYZMBNFOSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC000228476355 639637506 /nfs/dbraw/zinc/63/75/06/639637506.db2.gz DTXNUECGXQUIQB-CYZMBNFOSA-N 2 1 265.788 2.294 20 0 CEADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]CC2(C)CCCC2)CC1 ZINC000877008018 650529866 /nfs/dbraw/zinc/52/98/66/650529866.db2.gz DEXKEXRASFVZHL-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877041798 650544563 /nfs/dbraw/zinc/54/45/63/650544563.db2.gz OJWJORAJLGPNFY-NEPJUHHUSA-N 2 1 295.254 2.007 20 0 CEADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000312226131 640007289 /nfs/dbraw/zinc/00/72/89/640007289.db2.gz GCWZFEUZPAFDMO-BRWVUGGUSA-N 2 1 274.408 2.327 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CC[C@H]1[NH3+] ZINC000843051543 640255085 /nfs/dbraw/zinc/25/50/85/640255085.db2.gz FNJKCQDMIAKMTL-CZUORRHYSA-N 2 1 260.381 2.276 20 0 CEADMP C(c1nc2c(s1)CCC2)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843119924 640289740 /nfs/dbraw/zinc/28/97/40/640289740.db2.gz ODMMQVLGBJXPKV-UHFFFAOYSA-N 2 1 277.437 2.207 20 0 CEADMP N[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000843380971 640412709 /nfs/dbraw/zinc/41/27/09/640412709.db2.gz IDUSVLHSNQPUIQ-ZWKOTPCHSA-N 2 1 287.451 2.193 20 0 CEADMP N[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000843380971 640412714 /nfs/dbraw/zinc/41/27/14/640412714.db2.gz IDUSVLHSNQPUIQ-ZWKOTPCHSA-N 2 1 287.451 2.193 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000843389292 640415068 /nfs/dbraw/zinc/41/50/68/640415068.db2.gz MHPSKMGJXHDNRW-HIFRSBDPSA-N 2 1 295.814 2.063 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877137288 650590542 /nfs/dbraw/zinc/59/05/42/650590542.db2.gz UDOFTDDAGXZVLY-ARFHVFGLSA-N 2 1 287.407 2.314 20 0 CEADMP Cc1ccc([C@H](C)[N@H+](C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000915688953 640601375 /nfs/dbraw/zinc/60/13/75/640601375.db2.gz AFGCRINVOIACBN-RDJZCZTQSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000915688953 640601377 /nfs/dbraw/zinc/60/13/77/640601377.db2.gz AFGCRINVOIACBN-RDJZCZTQSA-N 2 1 276.424 2.445 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000844221494 640636303 /nfs/dbraw/zinc/63/63/03/640636303.db2.gz ORESJEDFEYCHTC-INIZCTEOSA-N 3 1 267.461 2.313 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993927309 640684913 /nfs/dbraw/zinc/68/49/13/640684913.db2.gz LJJPMSNGDDNGJP-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440090 640725793 /nfs/dbraw/zinc/72/57/93/640725793.db2.gz LETHVAWZUFYCGD-LBPRGKRZSA-N 2 1 255.312 2.313 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440090 640725797 /nfs/dbraw/zinc/72/57/97/640725797.db2.gz LETHVAWZUFYCGD-LBPRGKRZSA-N 2 1 255.312 2.313 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)[C@H]1CC[NH3+] ZINC000844901662 640860361 /nfs/dbraw/zinc/86/03/61/640860361.db2.gz JWFSPFSLONDJLQ-HOCLYGCPSA-N 2 1 299.422 2.217 20 0 CEADMP C[C@H](O)c1ncc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000844902031 640860404 /nfs/dbraw/zinc/86/04/04/640860404.db2.gz NCGQWCSNINTPPP-GMXVVIOVSA-N 2 1 283.441 2.146 20 0 CEADMP C[C@H](O)c1ncc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000844902031 640860405 /nfs/dbraw/zinc/86/04/05/640860405.db2.gz NCGQWCSNINTPPP-GMXVVIOVSA-N 2 1 283.441 2.146 20 0 CEADMP Cc1[nH]c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000930062337 641021038 /nfs/dbraw/zinc/02/10/38/641021038.db2.gz YJFDZXHWYGYLFK-YOEHRIQHSA-N 2 1 288.439 2.475 20 0 CEADMP Cc1[nH]c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000930062337 641021042 /nfs/dbraw/zinc/02/10/42/641021042.db2.gz YJFDZXHWYGYLFK-YOEHRIQHSA-N 2 1 288.439 2.475 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])[C@H]1CCN(c2ccccc2)C1=O ZINC000846218681 641227409 /nfs/dbraw/zinc/22/74/09/641227409.db2.gz WAMGYHPRWVMFSC-INIZCTEOSA-N 2 1 289.423 2.243 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000846221811 641230748 /nfs/dbraw/zinc/23/07/48/641230748.db2.gz PKFUWHJJLIKUGZ-LBPRGKRZSA-N 2 1 296.440 2.065 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000846221811 641230751 /nfs/dbraw/zinc/23/07/51/641230751.db2.gz PKFUWHJJLIKUGZ-LBPRGKRZSA-N 2 1 296.440 2.065 20 0 CEADMP CC[N@H+](CCCc1c[nH+]cn1C)CCc1ccccn1 ZINC000846820191 641439330 /nfs/dbraw/zinc/43/93/30/641439330.db2.gz JHNKMHSIFJTLPE-UHFFFAOYSA-N 2 1 272.396 2.312 20 0 CEADMP CC[N@@H+](CCCc1c[nH+]cn1C)CCc1ccccn1 ZINC000846820191 641439333 /nfs/dbraw/zinc/43/93/33/641439333.db2.gz JHNKMHSIFJTLPE-UHFFFAOYSA-N 2 1 272.396 2.312 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000846887719 641469055 /nfs/dbraw/zinc/46/90/55/641469055.db2.gz DQGFRUUCOFOLSZ-AWEZNQCLSA-N 2 1 270.380 2.237 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000846887719 641469058 /nfs/dbraw/zinc/46/90/58/641469058.db2.gz DQGFRUUCOFOLSZ-AWEZNQCLSA-N 2 1 270.380 2.237 20 0 CEADMP Cc1cc(C)cc(CC[NH2+]C2(CCO)CC[NH+](C)CC2)c1 ZINC000877361521 650689153 /nfs/dbraw/zinc/68/91/53/650689153.db2.gz UWBJHIBMPVLXGM-UHFFFAOYSA-N 2 1 290.451 2.282 20 0 CEADMP Cn1c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cnc1Cl ZINC000848549427 642047594 /nfs/dbraw/zinc/04/75/94/642047594.db2.gz VIUNTLYUDUAESR-UHFFFAOYSA-N 2 1 284.835 2.285 20 0 CEADMP CC(C)[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995791357 642076268 /nfs/dbraw/zinc/07/62/68/642076268.db2.gz GKOZXCAHMWAXTM-GJZGRUSLSA-N 2 1 295.471 2.094 20 0 CEADMP CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC000996378962 642104261 /nfs/dbraw/zinc/10/42/61/642104261.db2.gz IXAMHHVAPDNJPC-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000996748212 642131996 /nfs/dbraw/zinc/13/19/96/642131996.db2.gz KIASKICIERQNLV-MRXNPFEDSA-N 2 1 295.471 2.096 20 0 CEADMP Cn1c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cnc1Cl ZINC000848907169 642183965 /nfs/dbraw/zinc/18/39/65/642183965.db2.gz ARXJXXSSXGNIHO-UHFFFAOYSA-N 2 1 296.846 2.381 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000921523207 642191017 /nfs/dbraw/zinc/19/10/17/642191017.db2.gz GMAWUODKJNVVTN-ZIAGYGMSSA-N 2 1 274.474 2.219 20 0 CEADMP C[NH+](C)[C@H](CNC(=[NH2+])NC1CCCC1)Cc1ccccc1 ZINC000848981693 642204472 /nfs/dbraw/zinc/20/44/72/642204472.db2.gz TZJHHADNQQGMPW-INIZCTEOSA-N 2 1 288.439 2.216 20 0 CEADMP COc1cccc(NC(=[NH2+])NCCCn2cc[nH+]c2C)c1 ZINC000848987646 642210373 /nfs/dbraw/zinc/21/03/73/642210373.db2.gz NEJJRYVTSFXKNG-UHFFFAOYSA-N 2 1 287.367 2.227 20 0 CEADMP Cc1ccc(CNC(=[NH2+])NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000848992456 642213565 /nfs/dbraw/zinc/21/35/65/642213565.db2.gz BSAQDOLMRFZWMU-OAHLLOKOSA-N 2 1 286.423 2.093 20 0 CEADMP CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000849006987 642223746 /nfs/dbraw/zinc/22/37/46/642223746.db2.gz PXALLBDUCBWLJW-AWEZNQCLSA-N 2 1 266.433 2.165 20 0 CEADMP C[C@@]1(CNC(=[NH2+])N2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000849026282 642239707 /nfs/dbraw/zinc/23/97/07/642239707.db2.gz RQLSXNUEQCUXHM-KRWDZBQOSA-N 2 1 286.423 2.129 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(C)C)C1 ZINC000999323923 642481208 /nfs/dbraw/zinc/48/12/08/642481208.db2.gz ZKWKRJCFVYOBCG-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921714496 642558389 /nfs/dbraw/zinc/55/83/89/642558389.db2.gz BAPVMKHVBLHTAZ-CYBMUJFWSA-N 2 1 262.401 2.040 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921714496 642558395 /nfs/dbraw/zinc/55/83/95/642558395.db2.gz BAPVMKHVBLHTAZ-CYBMUJFWSA-N 2 1 262.401 2.040 20 0 CEADMP O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000850372966 642687066 /nfs/dbraw/zinc/68/70/66/642687066.db2.gz BRNCQQOQWDWURP-UTJXIGIESA-N 2 1 272.392 2.381 20 0 CEADMP O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000850372966 642687070 /nfs/dbraw/zinc/68/70/70/642687070.db2.gz BRNCQQOQWDWURP-UTJXIGIESA-N 2 1 272.392 2.381 20 0 CEADMP CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001001472717 642723201 /nfs/dbraw/zinc/72/32/01/642723201.db2.gz VBGOSORFTHEJHK-INIZCTEOSA-N 2 1 293.455 2.019 20 0 CEADMP CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001001472717 642723204 /nfs/dbraw/zinc/72/32/04/642723204.db2.gz VBGOSORFTHEJHK-INIZCTEOSA-N 2 1 293.455 2.019 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H](O)c3ccccc32)CC[N@H+]1C ZINC000850526368 642742248 /nfs/dbraw/zinc/74/22/48/642742248.db2.gz BOQDSSJSRTYCSK-BHTHQVBYSA-N 2 1 260.381 2.237 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](O)c3ccccc32)CCN1C ZINC000850526368 642742254 /nfs/dbraw/zinc/74/22/54/642742254.db2.gz BOQDSSJSRTYCSK-BHTHQVBYSA-N 2 1 260.381 2.237 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](O)c3ccccc32)CC[N@@H+]1C ZINC000850526368 642742257 /nfs/dbraw/zinc/74/22/57/642742257.db2.gz BOQDSSJSRTYCSK-BHTHQVBYSA-N 2 1 260.381 2.237 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](O)c3ccccc32)CC[N@H+]1C ZINC000850526368 642742260 /nfs/dbraw/zinc/74/22/60/642742260.db2.gz BOQDSSJSRTYCSK-BHTHQVBYSA-N 2 1 260.381 2.237 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2SCCS2)[C@H](C)C1 ZINC000850560362 642752356 /nfs/dbraw/zinc/75/23/56/642752356.db2.gz DRVHGRNFGJQMHR-GHMZBOCLSA-N 2 1 260.472 2.112 20 0 CEADMP COc1cnc(F)c(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000877578090 650797543 /nfs/dbraw/zinc/79/75/43/650797543.db2.gz UDMUPDYAZWPQQY-UHFFFAOYSA-N 2 1 281.375 2.193 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc3c2OCC3)C1 ZINC000922181768 642940377 /nfs/dbraw/zinc/94/03/77/642940377.db2.gz YZNTZWLHSZGFOQ-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000922285283 642999864 /nfs/dbraw/zinc/99/98/64/642999864.db2.gz YMMMAZAFOADIDS-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000922285283 642999867 /nfs/dbraw/zinc/99/98/67/642999867.db2.gz YMMMAZAFOADIDS-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@H]1CC=CCC1)C2 ZINC000922385363 643057617 /nfs/dbraw/zinc/05/76/17/643057617.db2.gz AOSZYQIQNXDDOD-PNKHAZJDSA-N 2 1 292.467 2.412 20 0 CEADMP CC1(C)OC[C@H](CC[NH+]2CCC([NH+]3CCCCC3)CC2)O1 ZINC000851728347 643130387 /nfs/dbraw/zinc/13/03/87/643130387.db2.gz MTWGDTQRIBNFHU-INIZCTEOSA-N 2 1 296.455 2.478 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922732282 643236603 /nfs/dbraw/zinc/23/66/03/643236603.db2.gz TXWXLQRDHNZWJW-FIQHERPVSA-N 2 1 262.319 2.401 20 0 CEADMP CCO[C@@H](C[NH2+][C@H](C)Cc1ccccc1C)C[NH+](C)C ZINC000922754974 643245371 /nfs/dbraw/zinc/24/53/71/643245371.db2.gz WFEDWRSUBRZIIR-WBVHZDCISA-N 2 1 278.440 2.482 20 0 CEADMP C[N@@H+](CC[C@H]1COC(C)(C)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000852039567 643274165 /nfs/dbraw/zinc/27/41/65/643274165.db2.gz GFVZCZXGEQJNBP-IXXDHKBRSA-N 2 1 282.428 2.085 20 0 CEADMP C[NH+](CC[C@H]1COC(C)(C)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000852039567 643274170 /nfs/dbraw/zinc/27/41/70/643274170.db2.gz GFVZCZXGEQJNBP-IXXDHKBRSA-N 2 1 282.428 2.085 20 0 CEADMP C[NH+](CC[C@H]1COC(C)(C)O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000852039567 643274176 /nfs/dbraw/zinc/27/41/76/643274176.db2.gz GFVZCZXGEQJNBP-IXXDHKBRSA-N 2 1 282.428 2.085 20 0 CEADMP Cc1ccc([C@H](O)C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000852108571 643311939 /nfs/dbraw/zinc/31/19/39/643311939.db2.gz HTNUGINYXKNDBL-MSOLQXFVSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000852108571 643311943 /nfs/dbraw/zinc/31/19/43/643311943.db2.gz HTNUGINYXKNDBL-MSOLQXFVSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000852108571 643311947 /nfs/dbraw/zinc/31/19/47/643311947.db2.gz HTNUGINYXKNDBL-MSOLQXFVSA-N 2 1 288.435 2.446 20 0 CEADMP CC(C)[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001004874279 643359795 /nfs/dbraw/zinc/35/97/95/643359795.db2.gz CFFHIXOGJAOXPP-GDBMZVCRSA-N 2 1 295.471 2.238 20 0 CEADMP C[N@@H+](CCC[NH2+]C[C@@H](O)C1CC1)C1CCCCC1 ZINC000840742684 643436661 /nfs/dbraw/zinc/43/66/61/643436661.db2.gz LWRZXQFPGYIEKP-OAHLLOKOSA-N 2 1 254.418 2.002 20 0 CEADMP COCC[N@@H+](CCC(C)C)CC1CC[NH+](C)CC1 ZINC000877664817 650840700 /nfs/dbraw/zinc/84/07/00/650840700.db2.gz YATPZZIVNILHAH-UHFFFAOYSA-N 2 1 256.434 2.323 20 0 CEADMP CC(C)CCC[NH+]1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669285 650842369 /nfs/dbraw/zinc/84/23/69/650842369.db2.gz BNXJHFSISDQNMH-HZPDHXFCSA-N 3 1 269.477 2.094 20 0 CEADMP C[C@@H]1CCCC[C@@H]1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669771 650842658 /nfs/dbraw/zinc/84/26/58/650842658.db2.gz YSOORLGGVPSEIF-BRSBDYLESA-N 2 1 295.515 2.484 20 0 CEADMP CC(C)C1(C[NH+]2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000877670006 650842668 /nfs/dbraw/zinc/84/26/68/650842668.db2.gz DSWWSWUFNILMRY-HZPDHXFCSA-N 3 1 281.488 2.094 20 0 CEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC[C@H]1COC(C)(C)O1 ZINC000852717024 643522330 /nfs/dbraw/zinc/52/23/30/643522330.db2.gz XPXFJRLMSDTWJP-ZDUSSCGKSA-N 2 1 272.433 2.238 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC[C@H]1COC(C)(C)O1 ZINC000852717024 643522335 /nfs/dbraw/zinc/52/23/35/643522335.db2.gz XPXFJRLMSDTWJP-ZDUSSCGKSA-N 2 1 272.433 2.238 20 0 CEADMP COc1cccc(SCC[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000852743471 643529008 /nfs/dbraw/zinc/52/90/08/643529008.db2.gz DALUYMHHUAYZLH-ZDUSSCGKSA-N 2 1 280.437 2.458 20 0 CEADMP CCCCOC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000852753698 643538344 /nfs/dbraw/zinc/53/83/44/643538344.db2.gz GSMWECCMLPNCQM-GOEBONIOSA-N 2 1 296.455 2.430 20 0 CEADMP CC(C)NC(=O)[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000852761599 643541762 /nfs/dbraw/zinc/54/17/62/643541762.db2.gz XXNPLUWXPJXZNL-HNNXBMFYSA-N 2 1 283.460 2.132 20 0 CEADMP C[C@@H]1CC[N@@H+](CCC2SCCS2)C[C@H]1C[NH3+] ZINC000853023492 643625784 /nfs/dbraw/zinc/62/57/84/643625784.db2.gz YZFZPOTYQLBUGQ-GHMZBOCLSA-N 2 1 260.472 2.099 20 0 CEADMP C[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299388 643644426 /nfs/dbraw/zinc/64/44/26/643644426.db2.gz UHBXCCVNSTUXHF-JTQLQIEISA-N 2 1 286.828 2.212 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H](O)c1ccc(F)cc1F ZINC000923294065 643646304 /nfs/dbraw/zinc/64/63/04/643646304.db2.gz FQKFCSHRJLSCKS-GJZGRUSLSA-N 2 1 286.366 2.303 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H](O)c1ccc(F)cc1F ZINC000923294065 643646306 /nfs/dbraw/zinc/64/63/06/643646306.db2.gz FQKFCSHRJLSCKS-GJZGRUSLSA-N 2 1 286.366 2.303 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1F)C1CCC([NH3+])CC1 ZINC000923294603 643646409 /nfs/dbraw/zinc/64/64/09/643646409.db2.gz KIWFUUGTDALTOW-QOZQQMKHSA-N 2 1 284.350 2.200 20 0 CEADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301883 643649466 /nfs/dbraw/zinc/64/94/66/643649466.db2.gz ZKJHUTSLMGIVGF-DGCLKSJQSA-N 2 1 296.361 2.336 20 0 CEADMP CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923313558 643653128 /nfs/dbraw/zinc/65/31/28/643653128.db2.gz VRIZLVNYKPYPRI-CQSZACIVSA-N 2 1 295.471 2.003 20 0 CEADMP c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923320317 643660901 /nfs/dbraw/zinc/66/09/01/643660901.db2.gz WSKJXPWPEQUAFJ-CQSZACIVSA-N 2 1 299.422 2.051 20 0 CEADMP c1ccn2c(c1)nnc2[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923320317 643660905 /nfs/dbraw/zinc/66/09/05/643660905.db2.gz WSKJXPWPEQUAFJ-CQSZACIVSA-N 2 1 299.422 2.051 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000923349671 643673332 /nfs/dbraw/zinc/67/33/32/643673332.db2.gz VSAJCFKEEKHOCC-AWEZNQCLSA-N 2 1 250.361 2.429 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C)cc2)CC[C@H]1[NH3+] ZINC000923342940 643675011 /nfs/dbraw/zinc/67/50/11/643675011.db2.gz AAQUHJNKWQTHSD-BMFZPTHFSA-N 2 1 262.397 2.088 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000923351136 643677278 /nfs/dbraw/zinc/67/72/78/643677278.db2.gz PKGAAYVJLKJLOJ-KURKYZTESA-N 2 1 290.451 2.458 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H](O)CCc1ccccc1 ZINC000923353607 643678686 /nfs/dbraw/zinc/67/86/86/643678686.db2.gz KIXJXHFKYGKBOS-DLBZAZTESA-N 2 1 276.424 2.183 20 0 CEADMP c1c[nH]c([C@@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923372592 643679487 /nfs/dbraw/zinc/67/94/87/643679487.db2.gz HJSCUMKKFKHYMP-DKUMPPAJSA-N 2 1 274.412 2.467 20 0 CEADMP O[C@H](C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000923364577 643680098 /nfs/dbraw/zinc/68/00/98/643680098.db2.gz OCQGRGOWJLNIFH-YESZJQIVSA-N 2 1 274.408 2.184 20 0 CEADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000923367208 643681937 /nfs/dbraw/zinc/68/19/37/643681937.db2.gz CUCITEYVTHKTAS-GOEBONIOSA-N 2 1 294.439 2.006 20 0 CEADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000923367207 643682117 /nfs/dbraw/zinc/68/21/17/643682117.db2.gz CUCITEYVTHKTAS-GDBMZVCRSA-N 2 1 294.439 2.006 20 0 CEADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923372749 643689828 /nfs/dbraw/zinc/68/98/28/643689828.db2.gz JNLQUKBACXPGIM-DZGCQCFKSA-N 2 1 266.429 2.266 20 0 CEADMP CCCCC[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923387178 643692877 /nfs/dbraw/zinc/69/28/77/643692877.db2.gz GYSAJXGAKAXNJG-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP c1ccc([C@@H]2C[C@H]3C[N@H+](C[C@H]4CC5(C[NH2+]C5)CO4)C[C@H]32)cc1 ZINC000923401105 643696524 /nfs/dbraw/zinc/69/65/24/643696524.db2.gz RKIMJPLEOPWBFJ-XWTMOSNGSA-N 2 1 298.430 2.100 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923413059 643701150 /nfs/dbraw/zinc/70/11/50/643701150.db2.gz CJJUMJXFVMXTFE-ZBFHGGJFSA-N 2 1 270.461 2.480 20 0 CEADMP CCOC[C@H](O)C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000923423343 643703801 /nfs/dbraw/zinc/70/38/01/643703801.db2.gz AZIIZSDIYAMULA-UAGQMJEPSA-N 2 1 298.471 2.003 20 0 CEADMP CCOC[C@H](O)C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000923423342 643704157 /nfs/dbraw/zinc/70/41/57/643704157.db2.gz AZIIZSDIYAMULA-OIISXLGYSA-N 2 1 298.471 2.003 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000923424596 643704274 /nfs/dbraw/zinc/70/42/74/643704274.db2.gz GUPFGOOBPIIPBL-AGIUHOORSA-N 2 1 296.377 2.387 20 0 CEADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)cc1C ZINC000923486956 643729800 /nfs/dbraw/zinc/72/98/00/643729800.db2.gz VXYSUXWXMGVDLK-HUUCEWRRSA-N 2 1 289.423 2.301 20 0 CEADMP Cc1ccc(-c2noc(C[N@H+]3CC[C@@H](CC[NH3+])C3)n2)cc1 ZINC000923487633 643730659 /nfs/dbraw/zinc/73/06/59/643730659.db2.gz FRNMEXXZJPTZGW-CYBMUJFWSA-N 2 1 286.379 2.216 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)O2)CC[C@H]1C[NH3+] ZINC000923493684 643736891 /nfs/dbraw/zinc/73/68/91/643736891.db2.gz TUTGCPTXEXFJGA-HZSPNIEDSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)c1ccc(F)cc1 ZINC000923492930 643737110 /nfs/dbraw/zinc/73/71/10/643737110.db2.gz ZOVACLPMRHVSCS-DUVNUKRYSA-N 2 1 280.387 2.430 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC[C@@H]1C[NH3+] ZINC000923497812 643739106 /nfs/dbraw/zinc/73/91/06/643739106.db2.gz MKXLFQKIVUKXOC-NWDGAFQWSA-N 2 1 292.814 2.404 20 0 CEADMP CSc1ccc(OCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923519497 643748048 /nfs/dbraw/zinc/74/80/48/643748048.db2.gz RWFAQGCDCVQZLG-UONOGXRCSA-N 2 1 292.448 2.329 20 0 CEADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923525354 643750509 /nfs/dbraw/zinc/75/05/09/643750509.db2.gz FVOLZFBSDPKQJM-BZUAXINKSA-N 2 1 276.424 2.018 20 0 CEADMP CC1(C)C[C@H](c2ccccc2)C[N@H+]1CCOCC[NH3+] ZINC000923525635 643750525 /nfs/dbraw/zinc/75/05/25/643750525.db2.gz IPPSOTDXDTZVIC-HNNXBMFYSA-N 2 1 262.397 2.230 20 0 CEADMP C(C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923531161 643752787 /nfs/dbraw/zinc/75/27/87/643752787.db2.gz PVZZLMYOCHKMDO-NPYXIHBLSA-N 3 1 277.456 2.125 20 0 CEADMP C(C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923531161 643752791 /nfs/dbraw/zinc/75/27/91/643752791.db2.gz PVZZLMYOCHKMDO-NPYXIHBLSA-N 3 1 277.456 2.125 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000877742733 650888031 /nfs/dbraw/zinc/88/80/31/650888031.db2.gz GEGJXEMPMIXMEV-WMZOPIPTSA-N 2 1 296.418 2.398 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000877742733 650888033 /nfs/dbraw/zinc/88/80/33/650888033.db2.gz GEGJXEMPMIXMEV-WMZOPIPTSA-N 2 1 296.418 2.398 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000877742733 650888035 /nfs/dbraw/zinc/88/80/35/650888035.db2.gz GEGJXEMPMIXMEV-WMZOPIPTSA-N 2 1 296.418 2.398 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000877742733 650888036 /nfs/dbraw/zinc/88/80/36/650888036.db2.gz GEGJXEMPMIXMEV-WMZOPIPTSA-N 2 1 296.418 2.398 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CCO1 ZINC000877743880 650890856 /nfs/dbraw/zinc/89/08/56/650890856.db2.gz YTOUHQHGKWRHNN-KLHDSHLOSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CCO1 ZINC000877743880 650890860 /nfs/dbraw/zinc/89/08/60/650890860.db2.gz YTOUHQHGKWRHNN-KLHDSHLOSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CCO1 ZINC000877743880 650890862 /nfs/dbraw/zinc/89/08/62/650890862.db2.gz YTOUHQHGKWRHNN-KLHDSHLOSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CCO1 ZINC000877743880 650890863 /nfs/dbraw/zinc/89/08/63/650890863.db2.gz YTOUHQHGKWRHNN-KLHDSHLOSA-N 2 1 266.429 2.218 20 0 CEADMP C/C=C(/CC)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000788767952 644131128 /nfs/dbraw/zinc/13/11/28/644131128.db2.gz BLCBJDXKRQWFRA-OBHDYHNASA-N 2 1 295.471 2.217 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@@H+](C)CCCn1ccnc1 ZINC000839096308 644146052 /nfs/dbraw/zinc/14/60/52/644146052.db2.gz NZFJGSUBHGDBQJ-UHFFFAOYSA-N 2 1 281.400 2.184 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)/C=C1\CC[C@H](C)C1 ZINC000855345435 644312516 /nfs/dbraw/zinc/31/25/16/644312516.db2.gz AHVDQLPRWWNRHG-SKAWWZKSSA-N 2 1 295.471 2.121 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)/C=C1\CC[C@H](C)C1 ZINC000855345435 644312521 /nfs/dbraw/zinc/31/25/21/644312521.db2.gz AHVDQLPRWWNRHG-SKAWWZKSSA-N 2 1 295.471 2.121 20 0 CEADMP C(CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)CC[NH+]1CCCCC1 ZINC000925488965 644368658 /nfs/dbraw/zinc/36/86/58/644368658.db2.gz WQQYOQFGQOHQPL-IGKNDFSCSA-N 2 1 291.483 2.229 20 0 CEADMP OCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000754795750 644431433 /nfs/dbraw/zinc/43/14/33/644431433.db2.gz OQKQHWSNJWFPFK-MCIONIFRSA-N 2 1 280.437 2.388 20 0 CEADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000754795750 644431437 /nfs/dbraw/zinc/43/14/37/644431437.db2.gz OQKQHWSNJWFPFK-MCIONIFRSA-N 2 1 280.437 2.388 20 0 CEADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCF)C2)ccn1 ZINC000856590590 644695491 /nfs/dbraw/zinc/69/54/91/644695491.db2.gz WUINZXJIRIPAOZ-MRXNPFEDSA-N 2 1 295.402 2.346 20 0 CEADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCF)C2)ccn1 ZINC000856590590 644695493 /nfs/dbraw/zinc/69/54/93/644695493.db2.gz WUINZXJIRIPAOZ-MRXNPFEDSA-N 2 1 295.402 2.346 20 0 CEADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCF)C2)ccn1 ZINC000856590590 644695496 /nfs/dbraw/zinc/69/54/96/644695496.db2.gz WUINZXJIRIPAOZ-MRXNPFEDSA-N 2 1 295.402 2.346 20 0 CEADMP CC(C)C[C@H](C[NH+](C)C)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925490899 644741588 /nfs/dbraw/zinc/74/15/88/644741588.db2.gz PGVKJLSHQJDNAZ-QLFBSQMISA-N 2 1 269.477 2.458 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000857852868 644981291 /nfs/dbraw/zinc/98/12/91/644981291.db2.gz HAGVHRJAJZVWLH-CQSZACIVSA-N 2 1 262.401 2.109 20 0 CEADMP Fc1cc(C[NH2+]CCC[NH+]2CCCCC2)ccn1 ZINC000858090127 645057044 /nfs/dbraw/zinc/05/70/44/645057044.db2.gz MEVRGSREBUBFTN-UHFFFAOYSA-N 2 1 251.349 2.186 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)CC1(C)C ZINC000858094238 645058892 /nfs/dbraw/zinc/05/88/92/645058892.db2.gz FAXKYADSLMOIKG-OAHLLOKOSA-N 2 1 299.422 2.230 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)CC1(C)C ZINC000858094238 645058895 /nfs/dbraw/zinc/05/88/95/645058895.db2.gz FAXKYADSLMOIKG-OAHLLOKOSA-N 2 1 299.422 2.230 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000858104269 645062727 /nfs/dbraw/zinc/06/27/27/645062727.db2.gz DUVPUMAPNJXIQD-HUUCEWRRSA-N 2 1 267.461 2.323 20 0 CEADMP OCc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc[nH+]1 ZINC000858454082 645165545 /nfs/dbraw/zinc/16/55/45/645165545.db2.gz VDQFEIMXZRXZIH-SUMWQHHRSA-N 2 1 287.407 2.027 20 0 CEADMP CCC[C@@H](O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212210 645421640 /nfs/dbraw/zinc/42/16/40/645421640.db2.gz HQSYONGRIXWWES-MRXNPFEDSA-N 2 1 264.413 2.341 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCC(C)(C)O)cc1 ZINC000859213248 645421879 /nfs/dbraw/zinc/42/18/79/645421879.db2.gz ULEBWLVLIKTZQO-UHFFFAOYSA-N 2 1 264.413 2.341 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000878133229 651010616 /nfs/dbraw/zinc/01/06/16/651010616.db2.gz GWMJHXIBGASFQE-OAGGEKHMSA-N 2 1 266.429 2.219 20 0 CEADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000762790047 645451383 /nfs/dbraw/zinc/45/13/83/645451383.db2.gz WOSLAROCGACVEL-RHSMWYFYSA-N 2 1 292.423 2.029 20 0 CEADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC000762790047 645451385 /nfs/dbraw/zinc/45/13/85/645451385.db2.gz WOSLAROCGACVEL-RHSMWYFYSA-N 2 1 292.423 2.029 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H](O)C(C)C)C1 ZINC000878159616 651018459 /nfs/dbraw/zinc/01/84/59/651018459.db2.gz OVEHTVQYYNKNEF-CABCVRRESA-N 2 1 256.434 2.057 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@H](O)C(C)C)C1 ZINC000878159616 651018461 /nfs/dbraw/zinc/01/84/61/651018461.db2.gz OVEHTVQYYNKNEF-CABCVRRESA-N 2 1 256.434 2.057 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCC3(CCOCC3)O2)CC[N@@H+]1C ZINC000878163839 651019701 /nfs/dbraw/zinc/01/97/01/651019701.db2.gz XLRSITAWVQNTHW-OWCLPIDISA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCC3(CCOCC3)O2)CC[N@H+]1C ZINC000878163839 651019703 /nfs/dbraw/zinc/01/97/03/651019703.db2.gz XLRSITAWVQNTHW-OWCLPIDISA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCC3(CCOCC3)O2)CC[NH+]1C ZINC000878163839 651019707 /nfs/dbraw/zinc/01/97/07/651019707.db2.gz XLRSITAWVQNTHW-OWCLPIDISA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCC3(CCOCC3)O2)CC[NH+]1C ZINC000878163839 651019716 /nfs/dbraw/zinc/01/97/16/651019716.db2.gz XLRSITAWVQNTHW-OWCLPIDISA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC[N@@H+]1C ZINC000878163575 651020435 /nfs/dbraw/zinc/02/04/35/651020435.db2.gz USJOJODHYWZSGQ-LEOABGAYSA-N 2 1 266.429 2.359 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC[N@H+]1C ZINC000878163575 651020437 /nfs/dbraw/zinc/02/04/37/651020437.db2.gz USJOJODHYWZSGQ-LEOABGAYSA-N 2 1 266.429 2.359 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC[NH+]1C ZINC000878163575 651020440 /nfs/dbraw/zinc/02/04/40/651020440.db2.gz USJOJODHYWZSGQ-LEOABGAYSA-N 2 1 266.429 2.359 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC[NH+]1C ZINC000878163575 651020444 /nfs/dbraw/zinc/02/04/44/651020444.db2.gz USJOJODHYWZSGQ-LEOABGAYSA-N 2 1 266.429 2.359 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878258554 651047106 /nfs/dbraw/zinc/04/71/06/651047106.db2.gz SFRYRLUOHIXJQY-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)[C@@H](C)[C@@H]1C ZINC000771392780 646516841 /nfs/dbraw/zinc/51/68/41/646516841.db2.gz AQDXDUYXIYCSQZ-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)[C@@H](C)[C@@H]1C ZINC000771392780 646516846 /nfs/dbraw/zinc/51/68/46/646516846.db2.gz AQDXDUYXIYCSQZ-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000771392780 646516855 /nfs/dbraw/zinc/51/68/55/646516855.db2.gz AQDXDUYXIYCSQZ-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000771392780 646516857 /nfs/dbraw/zinc/51/68/57/646516857.db2.gz AQDXDUYXIYCSQZ-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000771933142 646573421 /nfs/dbraw/zinc/57/34/21/646573421.db2.gz IOGNFPRAXZWJPS-UHFFFAOYSA-N 2 1 291.439 2.048 20 0 CEADMP CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000771933142 646573425 /nfs/dbraw/zinc/57/34/25/646573425.db2.gz IOGNFPRAXZWJPS-UHFFFAOYSA-N 2 1 291.439 2.048 20 0 CEADMP [NH3+]C1(C[NH2+][C@@H]2CCSc3c(F)cccc32)CCOCC1 ZINC000863541881 646750888 /nfs/dbraw/zinc/75/08/88/646750888.db2.gz QSOMAUCEUDNMPU-CYBMUJFWSA-N 2 1 296.411 2.460 20 0 CEADMP CC(=O)N(C)c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000863543417 646751799 /nfs/dbraw/zinc/75/17/99/646751799.db2.gz OHSJAPSHXPZCJR-IAGOWNOFSA-N 2 1 289.423 2.419 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)ncn3C)[C@@H](C)C1 ZINC000774816505 646898522 /nfs/dbraw/zinc/89/85/22/646898522.db2.gz PQIYSDNREYRUEM-DZGCQCFKSA-N 2 1 286.423 2.393 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)C1CC1 ZINC000775379520 646947093 /nfs/dbraw/zinc/94/70/93/646947093.db2.gz SLPUMYQIEHKAIS-YIYPIFLZSA-N 2 1 286.510 2.296 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)C1CC1 ZINC000775379518 646947125 /nfs/dbraw/zinc/94/71/25/646947125.db2.gz SLPUMYQIEHKAIS-SYQHCUMBSA-N 2 1 286.510 2.296 20 0 CEADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000864457364 647012135 /nfs/dbraw/zinc/01/21/35/647012135.db2.gz RUCGRWNOFYVHEE-JHJVBQTASA-N 2 1 266.433 2.019 20 0 CEADMP CC[C@@H]1CCN(C(=[NH2+])NC[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000864459904 647014613 /nfs/dbraw/zinc/01/46/13/647014613.db2.gz PUTPVVMSTYBQME-HUUCEWRRSA-N 2 1 280.460 2.221 20 0 CEADMP CCC(CC)NC(=[NH2+])NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000864460741 647015595 /nfs/dbraw/zinc/01/55/95/647015595.db2.gz ZYFFZDYULXMWKM-CYBMUJFWSA-N 2 1 268.449 2.267 20 0 CEADMP CCc1noc(C)c1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000776168550 647030854 /nfs/dbraw/zinc/03/08/54/647030854.db2.gz PKCFTNQGMARWHY-NSHDSACASA-N 2 1 263.385 2.458 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(CF)cc1 ZINC000778951948 647276903 /nfs/dbraw/zinc/27/69/03/647276903.db2.gz XQYWCYVWHWENRQ-UHFFFAOYSA-N 2 1 293.430 2.225 20 0 CEADMP C[NH+](C)CCOCC[NH2+]Cc1c(Cl)cncc1Cl ZINC000865530363 647342754 /nfs/dbraw/zinc/34/27/54/647342754.db2.gz JNPBMBSMAUQAKL-UHFFFAOYSA-N 2 1 292.210 2.056 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](Nc3cc(C)[nH+]c(N)n3)C2)cc1 ZINC000866115777 647616098 /nfs/dbraw/zinc/61/60/98/647616098.db2.gz CMJXUKHPIWPVBT-OAHLLOKOSA-N 2 1 297.406 2.362 20 0 CEADMP C([NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000866229432 647682971 /nfs/dbraw/zinc/68/29/71/647682971.db2.gz PQWOMCHEQMUTPB-COXVUDFISA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000783220407 647695590 /nfs/dbraw/zinc/69/55/90/647695590.db2.gz DTHSZWDXESBHME-YJBOKZPZSA-N 2 1 287.451 2.322 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866316389 647733824 /nfs/dbraw/zinc/73/38/24/647733824.db2.gz YVCWTLIDSCVILP-HZPDHXFCSA-N 2 1 264.413 2.186 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000866414033 647778476 /nfs/dbraw/zinc/77/84/76/647778476.db2.gz ZLLGDBJIRVYNMY-ZMSDIMECSA-N 2 1 276.424 2.115 20 0 CEADMP C(C[C@@H]1CCCS1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000866480946 647800124 /nfs/dbraw/zinc/80/01/24/647800124.db2.gz MTBWYUSZZLRZAJ-GJZGRUSLSA-N 2 1 284.469 2.115 20 0 CEADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000866659728 647858307 /nfs/dbraw/zinc/85/83/07/647858307.db2.gz SQUTWKDSWLTBID-HOCLYGCPSA-N 2 1 289.423 2.383 20 0 CEADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000866659728 647858312 /nfs/dbraw/zinc/85/83/12/647858312.db2.gz SQUTWKDSWLTBID-HOCLYGCPSA-N 2 1 289.423 2.383 20 0 CEADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000866659729 647858607 /nfs/dbraw/zinc/85/86/07/647858607.db2.gz SQUTWKDSWLTBID-ZBFHGGJFSA-N 2 1 289.423 2.383 20 0 CEADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000866659729 647858610 /nfs/dbraw/zinc/85/86/10/647858610.db2.gz SQUTWKDSWLTBID-ZBFHGGJFSA-N 2 1 289.423 2.383 20 0 CEADMP c1oc(C2CC2)nc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000866665230 647860794 /nfs/dbraw/zinc/86/07/94/647860794.db2.gz FOFZTGAGNJHEGH-CQSZACIVSA-N 2 1 275.396 2.374 20 0 CEADMP C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000866717291 647880401 /nfs/dbraw/zinc/88/04/01/647880401.db2.gz AKGLEOSCIGQVEG-HNNXBMFYSA-N 2 1 285.391 2.121 20 0 CEADMP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC[NH2+]CC2)no1 ZINC000866715494 647880624 /nfs/dbraw/zinc/88/06/24/647880624.db2.gz PCLMFNQOHCXWDG-GOOCMWNKSA-N 2 1 290.411 2.088 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000785477532 647930846 /nfs/dbraw/zinc/93/08/46/647930846.db2.gz RJOMKIRCQUFYKX-MFKMUULPSA-N 2 1 251.349 2.101 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000785477532 647930849 /nfs/dbraw/zinc/93/08/49/647930849.db2.gz RJOMKIRCQUFYKX-MFKMUULPSA-N 2 1 251.349 2.101 20 0 CEADMP C/C=C(\CC)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000788767949 648222011 /nfs/dbraw/zinc/22/20/11/648222011.db2.gz BLCBJDXKRQWFRA-KNDGBBJPSA-N 2 1 295.471 2.217 20 0 CEADMP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)n(C)n1 ZINC000793533155 648772137 /nfs/dbraw/zinc/77/21/37/648772137.db2.gz MQWOOZLDSJGYSG-BFHYXJOUSA-N 2 1 264.417 2.252 20 0 CEADMP CC(C)c1nnc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)[nH]1 ZINC000794531670 648878432 /nfs/dbraw/zinc/87/84/32/648878432.db2.gz NUHHNDFVVFMTOL-UHFFFAOYSA-N 2 1 291.443 2.236 20 0 CEADMP CC(C)c1nnc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)[nH]1 ZINC000794531670 648878435 /nfs/dbraw/zinc/87/84/35/648878435.db2.gz NUHHNDFVVFMTOL-UHFFFAOYSA-N 2 1 291.443 2.236 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCOC1 ZINC000872021442 649243657 /nfs/dbraw/zinc/24/36/57/649243657.db2.gz PLFYEVHOHBYARK-FMKPAKJESA-N 2 1 266.429 2.266 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CCOC3(CCCC3)C2)CCOCC1 ZINC000872034562 649248370 /nfs/dbraw/zinc/24/83/70/649248370.db2.gz KEBGLARWKPEFMN-OAHLLOKOSA-N 2 1 296.455 2.179 20 0 CEADMP C([C@@H]1CC2(CCC2)CO1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000872142237 649291114 /nfs/dbraw/zinc/29/11/14/649291114.db2.gz OUDZHJYTRATHSZ-HNNXBMFYSA-N 2 1 264.413 2.162 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)CO2)[C@H]1C[NH3+] ZINC000872141759 649291655 /nfs/dbraw/zinc/29/16/55/649291655.db2.gz SDHLGNCZUSETPY-RDBSUJKOSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)CO2)[C@H]1C[NH3+] ZINC000872141759 649291656 /nfs/dbraw/zinc/29/16/56/649291656.db2.gz SDHLGNCZUSETPY-RDBSUJKOSA-N 2 1 252.402 2.005 20 0 CEADMP C(c1nc2c(o1)CCCC2)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000872142604 649292072 /nfs/dbraw/zinc/29/20/72/649292072.db2.gz BGRAKBFSVVPBNE-ZIAGYGMSSA-N 2 1 289.423 2.375 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CC3(CCC3)CO1)C2 ZINC000872145432 649295637 /nfs/dbraw/zinc/29/56/37/649295637.db2.gz SLXLMNPGAFLJHV-LZWOXQAQSA-N 2 1 264.413 2.006 20 0 CEADMP CC(C)c1cc([C@@H]2CCC[N@@H+](CCC[NH3+])C2)[nH]n1 ZINC000872146055 649296155 /nfs/dbraw/zinc/29/61/55/649296155.db2.gz CXHQCZAAXSQCCS-GFCCVEGCSA-N 2 1 250.390 2.061 20 0 CEADMP CC(C)c1cc([C@@H]2CCC[N@H+](CCC[NH3+])C2)n[nH]1 ZINC000872146055 649296159 /nfs/dbraw/zinc/29/61/59/649296159.db2.gz CXHQCZAAXSQCCS-GFCCVEGCSA-N 2 1 250.390 2.061 20 0 CEADMP CC(=O)Nc1ccc2c(c1)C[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000872154698 649298584 /nfs/dbraw/zinc/29/85/84/649298584.db2.gz WIODKRBYBNFLFQ-CQSZACIVSA-N 2 1 287.407 2.003 20 0 CEADMP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157162 649299866 /nfs/dbraw/zinc/29/98/66/649299866.db2.gz NFLVANBGPCAWLU-YCPHGPKFSA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872305708 649351511 /nfs/dbraw/zinc/35/15/11/649351511.db2.gz MCICXNHFTBSBJY-ZNMIVQPWSA-N 2 1 295.471 2.131 20 0 CEADMP CC[C@@]1(CO)CCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208740 649589747 /nfs/dbraw/zinc/58/97/47/649589747.db2.gz UKPJOXPXURJUEA-HNNXBMFYSA-N 2 1 280.437 2.131 20 0 CEADMP C[C@@H](CO)[N@H+](Cc1cc2c(s1)CC[NH2+]C2)CC1CCC1 ZINC000873210977 649590986 /nfs/dbraw/zinc/59/09/86/649590986.db2.gz FTYFYUOJIRDHGW-LBPRGKRZSA-N 2 1 294.464 2.377 20 0 CEADMP COCC(C)(C)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000873223074 649596548 /nfs/dbraw/zinc/59/65/48/649596548.db2.gz HQIVXVKSCSVFNF-HNNXBMFYSA-N 2 1 256.434 2.356 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000873223158 649596639 /nfs/dbraw/zinc/59/66/39/649596639.db2.gz IJTSCNLBKATPKA-DZGCQCFKSA-N 2 1 254.418 2.110 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ccnn1C ZINC000873223186 649597100 /nfs/dbraw/zinc/59/71/00/649597100.db2.gz LKSUNZPSTDIMEF-MGPQQGTHSA-N 2 1 264.417 2.382 20 0 CEADMP CC(C)C[C@H](N)C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232365 649603365 /nfs/dbraw/zinc/60/33/65/649603365.db2.gz XOHZSEQSZYDRIL-GJZGRUSLSA-N 2 1 267.461 2.262 20 0 CEADMP CC(C)[NH+]1CCC(CCN[C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000873242486 649606366 /nfs/dbraw/zinc/60/63/66/649606366.db2.gz QGVNBLRJYVDUBK-GDBMZVCRSA-N 2 1 267.461 2.227 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000873245937 649607237 /nfs/dbraw/zinc/60/72/37/649607237.db2.gz PYGOOVSCJJGTDC-INIZCTEOSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1noc2ccc(F)cc21 ZINC000873250191 649609545 /nfs/dbraw/zinc/60/95/45/649609545.db2.gz QDHFSKBEUPRLRZ-RKDXNWHRSA-N 2 1 251.305 2.182 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)[C@@H]1CCCC[NH2+]1 ZINC000873281664 649623917 /nfs/dbraw/zinc/62/39/17/649623917.db2.gz OIXKICCCDWHROZ-AICCOOGYSA-N 2 1 252.402 2.064 20 0 CEADMP COCC[N@@H+](CCC[C@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000879126958 651247524 /nfs/dbraw/zinc/24/75/24/651247524.db2.gz PBNVUPSSIMERIV-KRWDZBQOSA-N 2 1 298.471 2.093 20 0 CEADMP Cc1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879568098 651323366 /nfs/dbraw/zinc/32/33/66/651323366.db2.gz YJNPZTFCOXEEEV-HZPDHXFCSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879568098 651323368 /nfs/dbraw/zinc/32/33/68/651323368.db2.gz YJNPZTFCOXEEEV-HZPDHXFCSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879568098 651323370 /nfs/dbraw/zinc/32/33/70/651323370.db2.gz YJNPZTFCOXEEEV-HZPDHXFCSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879568098 651323371 /nfs/dbraw/zinc/32/33/71/651323371.db2.gz YJNPZTFCOXEEEV-HZPDHXFCSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1cnn(CCCCC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000879572715 651323892 /nfs/dbraw/zinc/32/38/92/651323892.db2.gz JGDBGRQERRBCOG-IAGOWNOFSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000879572715 651323893 /nfs/dbraw/zinc/32/38/93/651323893.db2.gz JGDBGRQERRBCOG-IAGOWNOFSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879572715 651323894 /nfs/dbraw/zinc/32/38/94/651323894.db2.gz JGDBGRQERRBCOG-IAGOWNOFSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879572715 651323895 /nfs/dbraw/zinc/32/38/95/651323895.db2.gz JGDBGRQERRBCOG-IAGOWNOFSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000879572808 651324183 /nfs/dbraw/zinc/32/41/83/651324183.db2.gz JGDBGRQERRBCOG-SJORKVTESA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000879572808 651324184 /nfs/dbraw/zinc/32/41/84/651324184.db2.gz JGDBGRQERRBCOG-SJORKVTESA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879572808 651324185 /nfs/dbraw/zinc/32/41/85/651324185.db2.gz JGDBGRQERRBCOG-SJORKVTESA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879572808 651324186 /nfs/dbraw/zinc/32/41/86/651324186.db2.gz JGDBGRQERRBCOG-SJORKVTESA-N 2 1 290.455 2.388 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCOc3ccc(F)cc3)CC[C@H]21 ZINC000879571981 651324314 /nfs/dbraw/zinc/32/43/14/651324314.db2.gz MNMPINGQRUHGCO-XJKSGUPXSA-N 2 1 278.371 2.231 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCOc3ccc(F)cc3)CC[C@H]21 ZINC000879571981 651324315 /nfs/dbraw/zinc/32/43/15/651324315.db2.gz MNMPINGQRUHGCO-XJKSGUPXSA-N 2 1 278.371 2.231 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCOc3ccc(F)cc3)CC[C@H]21 ZINC000879571981 651324316 /nfs/dbraw/zinc/32/43/16/651324316.db2.gz MNMPINGQRUHGCO-XJKSGUPXSA-N 2 1 278.371 2.231 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCOc3ccc(F)cc3)CC[C@H]21 ZINC000879571981 651324318 /nfs/dbraw/zinc/32/43/18/651324318.db2.gz MNMPINGQRUHGCO-XJKSGUPXSA-N 2 1 278.371 2.231 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(C[C@H]3CCC4(CCC4)O3)CC[C@@H]21 ZINC000879581127 651326834 /nfs/dbraw/zinc/32/68/34/651326834.db2.gz WSZHZMIBIPYGRF-KFWWJZLASA-N 2 1 264.413 2.114 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC4(CCC4)O3)CC[C@@H]21 ZINC000879581127 651326835 /nfs/dbraw/zinc/32/68/35/651326835.db2.gz WSZHZMIBIPYGRF-KFWWJZLASA-N 2 1 264.413 2.114 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC4(CCC4)O3)CC[C@@H]21 ZINC000879581127 651326837 /nfs/dbraw/zinc/32/68/37/651326837.db2.gz WSZHZMIBIPYGRF-KFWWJZLASA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC4(CCC4)O3)CC[C@@H]21 ZINC000879581127 651326839 /nfs/dbraw/zinc/32/68/39/651326839.db2.gz WSZHZMIBIPYGRF-KFWWJZLASA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC4(CCC4)O3)CC[C@@H]21 ZINC000879581127 651326841 /nfs/dbraw/zinc/32/68/41/651326841.db2.gz WSZHZMIBIPYGRF-KFWWJZLASA-N 2 1 264.413 2.114 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879582238 651327116 /nfs/dbraw/zinc/32/71/16/651327116.db2.gz QVVCIGHMWWOORD-UONOGXRCSA-N 2 1 282.428 2.134 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879582238 651327118 /nfs/dbraw/zinc/32/71/18/651327118.db2.gz QVVCIGHMWWOORD-UONOGXRCSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879582238 651327121 /nfs/dbraw/zinc/32/71/21/651327121.db2.gz QVVCIGHMWWOORD-UONOGXRCSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000879582238 651327124 /nfs/dbraw/zinc/32/71/24/651327124.db2.gz QVVCIGHMWWOORD-UONOGXRCSA-N 2 1 282.428 2.134 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CC[C@@H](O)c3ccccc3)CC[C@H]21 ZINC000879583076 651327517 /nfs/dbraw/zinc/32/75/17/651327517.db2.gz VNUOIBJIOHDUEC-GVDBMIGSSA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CC[C@@H](O)c3ccccc3)CC[C@H]21 ZINC000879583076 651327518 /nfs/dbraw/zinc/32/75/18/651327518.db2.gz VNUOIBJIOHDUEC-GVDBMIGSSA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CC[C@@H](O)c3ccccc3)CC[C@H]21 ZINC000879583076 651327519 /nfs/dbraw/zinc/32/75/19/651327519.db2.gz VNUOIBJIOHDUEC-GVDBMIGSSA-N 2 1 274.408 2.136 20 0 CEADMP C[C@H](O)CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879951165 651364171 /nfs/dbraw/zinc/36/41/71/651364171.db2.gz JAJNAUNZSMGXDJ-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP CC1(C)OC[C@H](C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)O1 ZINC000879951173 651364542 /nfs/dbraw/zinc/36/45/42/651364542.db2.gz JJJXJNMOTVJRMA-HNNXBMFYSA-N 2 1 296.455 2.478 20 0 CEADMP CCOCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880021086 651375835 /nfs/dbraw/zinc/37/58/35/651375835.db2.gz XPURBBUFIGBQKX-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP CCOCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880021086 651375837 /nfs/dbraw/zinc/37/58/37/651375837.db2.gz XPURBBUFIGBQKX-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP CCOCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880021086 651375838 /nfs/dbraw/zinc/37/58/38/651375838.db2.gz XPURBBUFIGBQKX-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](CCCn2ccnc2C)C1 ZINC000880041703 651377862 /nfs/dbraw/zinc/37/78/62/651377862.db2.gz ULKWNCRJINNRKF-HNNXBMFYSA-N 2 1 293.411 2.247 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000880041703 651377863 /nfs/dbraw/zinc/37/78/63/651377863.db2.gz ULKWNCRJINNRKF-HNNXBMFYSA-N 2 1 293.411 2.247 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000880041703 651377865 /nfs/dbraw/zinc/37/78/65/651377865.db2.gz ULKWNCRJINNRKF-HNNXBMFYSA-N 2 1 293.411 2.247 20 0 CEADMP CC[C@@H](C)C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203883 651400795 /nfs/dbraw/zinc/40/07/95/651400795.db2.gz OWUPLZZKYFDGRG-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203883 651400796 /nfs/dbraw/zinc/40/07/96/651400796.db2.gz OWUPLZZKYFDGRG-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCO1 ZINC000880205549 651401208 /nfs/dbraw/zinc/40/12/08/651401208.db2.gz SEODZSJECCIJGI-BFYDXBDKSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCO1 ZINC000880205549 651401210 /nfs/dbraw/zinc/40/12/10/651401210.db2.gz SEODZSJECCIJGI-BFYDXBDKSA-N 2 1 296.455 2.035 20 0 CEADMP CO[C@@H]1CC[C@H]([N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000880259085 651411621 /nfs/dbraw/zinc/41/16/21/651411621.db2.gz MIXGTTVHRBAONJ-VNQPRFMTSA-N 2 1 275.396 2.160 20 0 CEADMP C[C@H]1C[N@@H+](CCC[C@@H]2CCOC2)CCN1c1cc[nH+]cc1 ZINC000880259300 651411798 /nfs/dbraw/zinc/41/17/98/651411798.db2.gz PJQUAUWZACQMFX-JKSUJKDBSA-N 2 1 289.423 2.409 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259759 651412003 /nfs/dbraw/zinc/41/20/03/651412003.db2.gz IBOKBSHMDFLZKX-OAHLLOKOSA-N 2 1 299.422 2.187 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259759 651412004 /nfs/dbraw/zinc/41/20/04/651412004.db2.gz IBOKBSHMDFLZKX-OAHLLOKOSA-N 3 1 299.422 2.187 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259759 651412005 /nfs/dbraw/zinc/41/20/05/651412005.db2.gz IBOKBSHMDFLZKX-OAHLLOKOSA-N 3 1 299.422 2.187 20 0 CEADMP COc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)nc1 ZINC000880260237 651412331 /nfs/dbraw/zinc/41/23/31/651412331.db2.gz OJVLQDSFLWRTHL-CQSZACIVSA-N 2 1 298.390 2.196 20 0 CEADMP COc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)nc1 ZINC000880260237 651412332 /nfs/dbraw/zinc/41/23/32/651412332.db2.gz OJVLQDSFLWRTHL-CQSZACIVSA-N 2 1 298.390 2.196 20 0 CEADMP C[C@H]1C[N@@H+](CC[C@@H]2CCCO2)CCN1c1cc[nH+]cc1 ZINC000880261871 651412537 /nfs/dbraw/zinc/41/25/37/651412537.db2.gz ZCYDQEJIQKRCNQ-HOCLYGCPSA-N 2 1 275.396 2.161 20 0 CEADMP C[C@H]1C[N@H+](Cc2cccnc2)CCN1c1cc[nH+]cc1 ZINC000880261643 651412721 /nfs/dbraw/zinc/41/27/21/651412721.db2.gz KUSBZIKLDNFYKO-AWEZNQCLSA-N 2 1 268.364 2.187 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccnc2)CCN1c1cc[nH+]cc1 ZINC000880261643 651412723 /nfs/dbraw/zinc/41/27/23/651412723.db2.gz KUSBZIKLDNFYKO-AWEZNQCLSA-N 2 1 268.364 2.187 20 0 CEADMP CC1([NH+]2CCC2)CC[NH+](CCc2cncs2)CC1 ZINC000880474746 651447552 /nfs/dbraw/zinc/44/75/52/651447552.db2.gz LSDQEDDLGYEDPY-UHFFFAOYSA-N 2 1 265.426 2.246 20 0 CEADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CN2C(=O)C(C)(C)C2(C)C)C1 ZINC000129302341 651906444 /nfs/dbraw/zinc/90/64/44/651906444.db2.gz RWEOOSJOOHWSNM-KGLIPLIRSA-N 2 1 293.455 2.007 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CN2C(=O)C(C)(C)C2(C)C)C1 ZINC000129302341 651906446 /nfs/dbraw/zinc/90/64/46/651906446.db2.gz RWEOOSJOOHWSNM-KGLIPLIRSA-N 2 1 293.455 2.007 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CN2C(=O)C(C)(C)C2(C)C)C1 ZINC000129302341 651906447 /nfs/dbraw/zinc/90/64/47/651906447.db2.gz RWEOOSJOOHWSNM-KGLIPLIRSA-N 2 1 293.455 2.007 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CN2C(=O)C(C)(C)C2(C)C)C1 ZINC000129302341 651906449 /nfs/dbraw/zinc/90/64/49/651906449.db2.gz RWEOOSJOOHWSNM-KGLIPLIRSA-N 2 1 293.455 2.007 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883176144 652389400 /nfs/dbraw/zinc/38/94/00/652389400.db2.gz WUDWJWMUPAIPLB-AWEZNQCLSA-N 2 1 266.429 2.146 20 0 CEADMP C1OCC12CCC([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000883379685 652449960 /nfs/dbraw/zinc/44/99/60/652449960.db2.gz KRLCRJWWMHMKFG-GJZGRUSLSA-N 2 1 264.413 2.162 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000883417445 652462259 /nfs/dbraw/zinc/46/22/59/652462259.db2.gz ADRDWSNCFKSGEW-JYJNAYRXSA-N 2 1 296.455 2.021 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000883430455 652466988 /nfs/dbraw/zinc/46/69/88/652466988.db2.gz VPVRJBVAWZERCK-KGLIPLIRSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000883430455 652466993 /nfs/dbraw/zinc/46/69/93/652466993.db2.gz VPVRJBVAWZERCK-KGLIPLIRSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000883433988 652468830 /nfs/dbraw/zinc/46/88/30/652468830.db2.gz DFVWQKWYTVTCQR-KKUMJFAQSA-N 2 1 293.411 2.010 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000883433990 652469115 /nfs/dbraw/zinc/46/91/15/652469115.db2.gz DFVWQKWYTVTCQR-SOUVJXGZSA-N 2 1 293.411 2.010 20 0 CEADMP COc1ccc(OCC[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000883457179 652476576 /nfs/dbraw/zinc/47/65/76/652476576.db2.gz WUHUZVSVOMUCEC-UHFFFAOYSA-N 2 1 290.407 2.292 20 0 CEADMP COc1ccc(OCC[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000883457179 652476578 /nfs/dbraw/zinc/47/65/78/652476578.db2.gz WUHUZVSVOMUCEC-UHFFFAOYSA-N 2 1 290.407 2.292 20 0 CEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000883462151 652477881 /nfs/dbraw/zinc/47/78/81/652477881.db2.gz KWSWAOWERDIWBU-HOCLYGCPSA-N 2 1 266.429 2.125 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000884204281 652751538 /nfs/dbraw/zinc/75/15/38/652751538.db2.gz RSQYHEKJFFPXJQ-CABCVRRESA-N 2 1 297.487 2.233 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@@H]([NH3+])CC1CC1)C1CCCCC1 ZINC000884383749 652826591 /nfs/dbraw/zinc/82/65/91/652826591.db2.gz SVOVTMDIXXHXIH-INIZCTEOSA-N 2 1 295.471 2.275 20 0 CEADMP COCC[N@H+](C)CCC[NH2+]C/C=C/c1cccc(F)c1 ZINC000885923187 653069923 /nfs/dbraw/zinc/06/99/23/653069923.db2.gz SLDCIOOXWPPTKV-QPJJXVBHSA-N 2 1 280.387 2.397 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C/C=C/c1cccc(F)c1 ZINC000885923187 653069925 /nfs/dbraw/zinc/06/99/25/653069925.db2.gz SLDCIOOXWPPTKV-QPJJXVBHSA-N 2 1 280.387 2.397 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[C@]3([NH3+])C2)nc1 ZINC001164419088 718888782 /nfs/dbraw/zinc/88/87/82/718888782.db2.gz PPPHFUQWWBPXSZ-UXLLHSPISA-N 2 1 286.423 2.166 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(N2CCCC2)cc[nH+]1 ZINC001164637092 719219541 /nfs/dbraw/zinc/21/95/41/719219541.db2.gz KUCUVUZQTJGGCP-ZIAGYGMSSA-N 2 1 274.412 2.211 20 0 CEADMP C[C@@H]1CC(n2cnc(C[NH3+])n2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168022521 805789341 /nfs/dbraw/zinc/78/93/41/805789341.db2.gz SWRPQLHGJCDJQU-ZIAGYGMSSA-N 2 1 299.422 2.351 20 0 CEADMP C[C@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)O1 ZINC000688883305 805990414 /nfs/dbraw/zinc/99/04/14/805990414.db2.gz KNGRXZCCKUSNDN-LUGNKYPNSA-N 2 1 252.402 2.159 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001029800552 806078801 /nfs/dbraw/zinc/07/88/01/806078801.db2.gz UEONLFBZAJGDEF-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001168093173 806147653 /nfs/dbraw/zinc/14/76/53/806147653.db2.gz UOPKQQQVZOVUEJ-RYPNDVFKSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001168093173 806147662 /nfs/dbraw/zinc/14/76/62/806147662.db2.gz UOPKQQQVZOVUEJ-RYPNDVFKSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H]1C[C@@H]([NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)CCO1 ZINC001168131236 806256655 /nfs/dbraw/zinc/25/66/55/806256655.db2.gz MHMACULFBQYPOP-YOEHRIQHSA-N 2 1 296.455 2.129 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001168297537 806635223 /nfs/dbraw/zinc/63/52/23/806635223.db2.gz BONBYGYSCDLNRN-KYVLXBHFSA-N 3 1 265.445 2.074 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C2 ZINC001168297537 806635229 /nfs/dbraw/zinc/63/52/29/806635229.db2.gz BONBYGYSCDLNRN-KYVLXBHFSA-N 2 1 265.445 2.074 20 0 CEADMP COC(=O)[C@H]1CCC[N@@H+](C2CCC([NH+](C)C)CC2)[C@H]1C ZINC001168323709 806654947 /nfs/dbraw/zinc/65/49/47/806654947.db2.gz BCQHSUGOHQMWTE-PPWQZUPISA-N 2 1 282.428 2.133 20 0 CEADMP CC(C)O[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168328207 806658581 /nfs/dbraw/zinc/65/85/81/806658581.db2.gz ZNJBBCSUGNNHIJ-NRXISQOPSA-N 2 1 254.418 2.359 20 0 CEADMP CC[NH+]1CCC(C[NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC001168355835 806683708 /nfs/dbraw/zinc/68/37/08/806683708.db2.gz CHMZHZYSIWJEEL-UHFFFAOYSA-N 2 1 279.472 2.182 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000724500830 802436503 /nfs/dbraw/zinc/43/65/03/802436503.db2.gz FPHFGNBGJDWAIB-RNJOBUHISA-N 2 1 276.371 2.106 20 0 CEADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001209633986 802554933 /nfs/dbraw/zinc/55/49/33/802554933.db2.gz YODZTTVBTMFDAK-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1cc[nH+]c(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001167205957 802574279 /nfs/dbraw/zinc/57/42/79/802574279.db2.gz QBKUBHMPCXLFRB-AEFFLSMTSA-N 2 1 279.387 2.367 20 0 CEADMP C[C@@H]1C[C@@H](NCc2cccc3c2OCC3)CC[N@H+]1C ZINC000693128299 802659368 /nfs/dbraw/zinc/65/93/68/802659368.db2.gz SDFNXJRUPVPVRT-DOMZBBRYSA-N 2 1 260.381 2.194 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2OCC3)CCN1C ZINC000693128299 802659373 /nfs/dbraw/zinc/65/93/73/802659373.db2.gz SDFNXJRUPVPVRT-DOMZBBRYSA-N 2 1 260.381 2.194 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001210492957 802692618 /nfs/dbraw/zinc/69/26/18/802692618.db2.gz GJZYCLVIOQCSDE-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CCC/C=C/CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266704098 802851428 /nfs/dbraw/zinc/85/14/28/802851428.db2.gz UZANMPIMSCMCAD-XLBHYRNJSA-N 2 1 295.471 2.121 20 0 CEADMP C1C[N@@H+]2CCCC[C@@H]2[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723663028 802922358 /nfs/dbraw/zinc/92/23/58/802922358.db2.gz KOJIZNMHWNTTSR-JZAWBGDQSA-N 2 1 278.440 2.408 20 0 CEADMP C1C[N@H+]2CCCC[C@@H]2[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723663028 802922365 /nfs/dbraw/zinc/92/23/65/802922365.db2.gz KOJIZNMHWNTTSR-JZAWBGDQSA-N 2 1 278.440 2.408 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000723687248 802924589 /nfs/dbraw/zinc/92/45/89/802924589.db2.gz SFLPSAYDSWHIEC-AWEZNQCLSA-N 2 1 270.380 2.043 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1OC ZINC000723688828 802924956 /nfs/dbraw/zinc/92/49/56/802924956.db2.gz AAULOCXFKFKAHJ-CYBMUJFWSA-N 2 1 278.396 2.183 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCc2cc(F)cc(F)c2)C[NH2+]1 ZINC000398953751 802926800 /nfs/dbraw/zinc/92/68/00/802926800.db2.gz GBCIGHUDYMZJKT-QMTHXVAHSA-N 2 1 254.324 2.237 20 0 CEADMP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1 ZINC001266857786 802948662 /nfs/dbraw/zinc/94/86/62/802948662.db2.gz OXXSRAAUAIXHPK-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000723968853 802979660 /nfs/dbraw/zinc/97/96/60/802979660.db2.gz LJWAZFXARIARLN-JKSUJKDBSA-N 2 1 277.412 2.376 20 0 CEADMP CCCCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001267117449 803139911 /nfs/dbraw/zinc/13/99/11/803139911.db2.gz SSXAYTCAULGHQH-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267202706 803228885 /nfs/dbraw/zinc/22/88/85/803228885.db2.gz HHHJRPZEDPROLS-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721555403 803332803 /nfs/dbraw/zinc/33/28/03/803332803.db2.gz MLIHLIZBTKHQHI-JSGCOSHPSA-N 2 1 265.401 2.146 20 0 CEADMP CCC[N@H+](CC=C(C)C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001267317711 803362324 /nfs/dbraw/zinc/36/23/24/803362324.db2.gz JOAMGDNCXDHHKS-INIZCTEOSA-N 2 1 295.471 2.123 20 0 CEADMP CCC[NH+](CC=C(C)C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001267317711 803362328 /nfs/dbraw/zinc/36/23/28/803362328.db2.gz JOAMGDNCXDHHKS-INIZCTEOSA-N 2 1 295.471 2.123 20 0 CEADMP CCC[NH+](CC=C(C)C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001267317711 803362335 /nfs/dbraw/zinc/36/23/35/803362335.db2.gz JOAMGDNCXDHHKS-INIZCTEOSA-N 2 1 295.471 2.123 20 0 CEADMP [NH3+]CCC[C@H]([NH3+])c1nnc(CCC2CCCCC2)o1 ZINC001217696567 803411164 /nfs/dbraw/zinc/41/11/64/803411164.db2.gz PSQYCBCQDRDUOW-LBPRGKRZSA-N 2 1 266.389 2.321 20 0 CEADMP CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104682216 803607221 /nfs/dbraw/zinc/60/72/21/803607221.db2.gz HNOQUNKHHHLWTC-HUUCEWRRSA-N 2 1 297.487 2.058 20 0 CEADMP c1ccc(COC[C@@H]2CC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC001207438015 803611073 /nfs/dbraw/zinc/61/10/73/803611073.db2.gz RMXLVFRLUQZXQZ-KRWDZBQOSA-N 2 1 274.408 2.277 20 0 CEADMP CCCCc1ncc(CN2C[C@H]3CCC[N@H+](C)[C@H]3C2)[nH]1 ZINC001141074085 803702196 /nfs/dbraw/zinc/70/21/96/803702196.db2.gz WWLQABDCJPVUBB-HIFRSBDPSA-N 2 1 276.428 2.278 20 0 CEADMP CCCCc1ncc(CN2C[C@H]3CCC[N@@H+](C)[C@H]3C2)[nH]1 ZINC001141074085 803702198 /nfs/dbraw/zinc/70/21/98/803702198.db2.gz WWLQABDCJPVUBB-HIFRSBDPSA-N 2 1 276.428 2.278 20 0 CEADMP C[C@@H]1C[C@H](N2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000709447596 803865971 /nfs/dbraw/zinc/86/59/71/803865971.db2.gz HZVPHDQWPHPZJV-SJLPKXTDSA-N 2 1 287.451 2.335 20 0 CEADMP Cc1[nH+]c(N)ccc1CNc1ccc2c(c1)C[NH2+]C2 ZINC001167786241 804170400 /nfs/dbraw/zinc/17/04/00/804170400.db2.gz OQKLQYCLUZRPEU-UHFFFAOYSA-N 2 1 254.337 2.188 20 0 CEADMP COc1cc(C[NH2+]CC2([NH3+])CCCC2)ccc1F ZINC001118380252 815008751 /nfs/dbraw/zinc/00/87/51/815008751.db2.gz TVPCLHPERCOVAG-UHFFFAOYSA-N 2 1 252.333 2.195 20 0 CEADMP Cc1ccc(NC(=[NH2+])NCC2=CC[N@@H+](C)CC2)cc1 ZINC001118410775 815012008 /nfs/dbraw/zinc/01/20/08/815012008.db2.gz CTQZXVWLYGDTOE-UHFFFAOYSA-N 2 1 258.369 2.193 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]C[C@@H](C)CC)CC1 ZINC001167814841 804360535 /nfs/dbraw/zinc/36/05/35/804360535.db2.gz HAIDQTXOLFYPTA-HNNXBMFYSA-N 2 1 297.487 2.250 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)C1CCN(C(C)=O)CC1 ZINC001167826993 804388796 /nfs/dbraw/zinc/38/87/96/804388796.db2.gz STNZIPBEZVMCEN-OAHLLOKOSA-N 2 1 297.487 2.440 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(N2CCCC2)C1 ZINC001167827507 804391284 /nfs/dbraw/zinc/39/12/84/804391284.db2.gz XAWHRVLAWVGUBT-OAHLLOKOSA-N 2 1 267.461 2.277 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2c(ncn2C)C1 ZINC001167837162 804431683 /nfs/dbraw/zinc/43/16/83/804431683.db2.gz IQSNQGDOYMOGNM-CQSZACIVSA-N 2 1 278.444 2.289 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001028088710 804444845 /nfs/dbraw/zinc/44/48/45/804444845.db2.gz OILRBCMBGAWRLZ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028088710 804444848 /nfs/dbraw/zinc/44/48/48/804444848.db2.gz OILRBCMBGAWRLZ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001028088710 804444854 /nfs/dbraw/zinc/44/48/54/804444854.db2.gz OILRBCMBGAWRLZ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167896942 804588333 /nfs/dbraw/zinc/58/83/33/804588333.db2.gz GIOUMRPLGDUQEY-PIIMJCKOSA-N 2 1 286.419 2.407 20 0 CEADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc(Cl)n1 ZINC000401866095 804622462 /nfs/dbraw/zinc/62/24/62/804622462.db2.gz VEJRVWLFOGLKCV-UHFFFAOYSA-N 2 1 265.788 2.395 20 0 CEADMP C[Si](C)(C)c1c(F)cccc1NC(=[NH2+])SCC[NH3+] ZINC001167911686 804693540 /nfs/dbraw/zinc/69/35/40/804693540.db2.gz DHUCSSZIMYDXAS-UHFFFAOYSA-N 2 1 285.464 2.409 20 0 CEADMP C(C1CC1)[NH+]1CCC([N@H+]2CCC[C@@]3(CCO3)C2)CC1 ZINC001168387395 807042163 /nfs/dbraw/zinc/04/21/63/807042163.db2.gz GWPRUFCQIYMDLX-MRXNPFEDSA-N 2 1 264.413 2.116 20 0 CEADMP CC/C=C\CC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001269344136 805136914 /nfs/dbraw/zinc/13/69/14/805136914.db2.gz BCUMDAFFMSKYHH-XITLMJRVSA-N 2 1 295.471 2.217 20 0 CEADMP CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001269501962 805181370 /nfs/dbraw/zinc/18/13/70/805181370.db2.gz KCBGRKMIRIVKTC-OAHLLOKOSA-N 2 1 295.471 2.288 20 0 CEADMP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001038406214 805247001 /nfs/dbraw/zinc/24/70/01/805247001.db2.gz BOCVITHIQDRRDV-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001038406214 805247006 /nfs/dbraw/zinc/24/70/06/805247006.db2.gz BOCVITHIQDRRDV-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001038406214 805247011 /nfs/dbraw/zinc/24/70/11/805247011.db2.gz BOCVITHIQDRRDV-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001038406214 805247016 /nfs/dbraw/zinc/24/70/16/805247016.db2.gz BOCVITHIQDRRDV-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958474 805288900 /nfs/dbraw/zinc/28/89/00/805288900.db2.gz FNMHPDVVNWTQPZ-JLKTZEBZSA-N 2 1 264.413 2.159 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721780078 805410885 /nfs/dbraw/zinc/41/08/85/805410885.db2.gz XCSWBXBRDNQTGL-XDQVBPFNSA-N 2 1 254.418 2.310 20 0 CEADMP CC/C=C/CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001270486257 805448097 /nfs/dbraw/zinc/44/80/97/805448097.db2.gz JTXQACUCMHUMQD-QDNWOOLPSA-N 2 1 295.471 2.169 20 0 CEADMP C[C@@]1(O)C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167965377 805465013 /nfs/dbraw/zinc/46/50/13/805465013.db2.gz DEDSLFGWTOWUTR-ANTZAIPASA-N 2 1 278.440 2.142 20 0 CEADMP C([NH2+]C1CCC2(CC2)CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000696002205 807115409 /nfs/dbraw/zinc/11/54/09/807115409.db2.gz VORWIQGZAJZGRE-GJZGRUSLSA-N 2 1 264.413 2.162 20 0 CEADMP C([NH2+]C1CCC2(CC2)CC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000696002205 807115413 /nfs/dbraw/zinc/11/54/13/807115413.db2.gz VORWIQGZAJZGRE-GJZGRUSLSA-N 2 1 264.413 2.162 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000229088829 807236060 /nfs/dbraw/zinc/23/60/60/807236060.db2.gz YOCOHQJAZRMZIC-GJZGRUSLSA-N 2 1 262.397 2.291 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897931 807267806 /nfs/dbraw/zinc/26/78/06/807267806.db2.gz FJMYXZGFKIBUHO-OAGGEKHMSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](C)CO1 ZINC000403764095 807353968 /nfs/dbraw/zinc/35/39/68/807353968.db2.gz PJDNEBRWHDJCGL-CZUORRHYSA-N 2 1 274.408 2.332 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089177369 807399129 /nfs/dbraw/zinc/39/91/29/807399129.db2.gz PTTUWNNSQIXZJO-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089177369 807399120 /nfs/dbraw/zinc/39/91/20/807399120.db2.gz PTTUWNNSQIXZJO-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001089177369 807399138 /nfs/dbraw/zinc/39/91/38/807399138.db2.gz PTTUWNNSQIXZJO-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001089259705 807481988 /nfs/dbraw/zinc/48/19/88/807481988.db2.gz PLBZQKDUVKJSCA-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cc(F)ccc4C3)C[C@@H]2C1 ZINC001168442260 807517709 /nfs/dbraw/zinc/51/77/09/807517709.db2.gz SXTMYHXTFFICHU-UXLLHSPISA-N 2 1 274.383 2.176 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4cc(F)ccc4C3)C[C@@H]2C1 ZINC001168442260 807517711 /nfs/dbraw/zinc/51/77/11/807517711.db2.gz SXTMYHXTFFICHU-UXLLHSPISA-N 2 1 274.383 2.176 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4cc(F)ccc4C3)C[C@@H]2C1 ZINC001168442260 807517714 /nfs/dbraw/zinc/51/77/14/807517714.db2.gz SXTMYHXTFFICHU-UXLLHSPISA-N 2 1 274.383 2.176 20 0 CEADMP CC(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046308188 807542573 /nfs/dbraw/zinc/54/25/73/807542573.db2.gz GUIIWLXOMJFSFG-WBVHZDCISA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046308188 807542574 /nfs/dbraw/zinc/54/25/74/807542574.db2.gz GUIIWLXOMJFSFG-WBVHZDCISA-N 2 1 295.471 2.096 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127260706 807561304 /nfs/dbraw/zinc/56/13/04/807561304.db2.gz DNLKHPYOOQRFSI-JKSUJKDBSA-N 2 1 295.471 2.147 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(OC)c1OC ZINC001205094340 807577724 /nfs/dbraw/zinc/57/77/24/807577724.db2.gz LKPNGORYKUDOEH-ZDUSSCGKSA-N 2 1 294.395 2.026 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(OC)c1OC ZINC001205094340 807577729 /nfs/dbraw/zinc/57/77/29/807577729.db2.gz LKPNGORYKUDOEH-ZDUSSCGKSA-N 2 1 294.395 2.026 20 0 CEADMP Cc1nnc(-c2ccc(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)cc2)o1 ZINC001205151403 807830068 /nfs/dbraw/zinc/83/00/68/807830068.db2.gz UEIVQVVEQMFBHJ-XHDPSFHLSA-N 2 1 286.379 2.072 20 0 CEADMP Cc1noc2ccc(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)cc12 ZINC001205156096 807842494 /nfs/dbraw/zinc/84/24/94/807842494.db2.gz NOWVSLCHSGUDTL-GXFFZTMASA-N 2 1 259.353 2.163 20 0 CEADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cs1 ZINC001119902651 815168683 /nfs/dbraw/zinc/16/86/83/815168683.db2.gz LAYBPOIRZQWQGY-KGLIPLIRSA-N 2 1 250.411 2.440 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cs1 ZINC001119902651 815168686 /nfs/dbraw/zinc/16/86/86/815168686.db2.gz LAYBPOIRZQWQGY-KGLIPLIRSA-N 2 1 250.411 2.440 20 0 CEADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106907722 808098694 /nfs/dbraw/zinc/09/86/94/808098694.db2.gz ZWCDXFJHVKXHFC-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP C[N@H+]1CCC[C@@H](CN([C@@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001236648360 808140443 /nfs/dbraw/zinc/14/04/43/808140443.db2.gz QLDPULGAWLWFLW-NVXWUHKLSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCC2CCCCC2)CC[N@H+]1C ZINC001127638277 808166500 /nfs/dbraw/zinc/16/65/00/808166500.db2.gz IVLDDDNKZPEVLC-GDBMZVCRSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccc(F)cc3)CC[C@H]21 ZINC001119975341 815181259 /nfs/dbraw/zinc/18/12/59/815181259.db2.gz UKGQMWUMUIGSSG-GDBMZVCRSA-N 2 1 262.372 2.394 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccc(F)cc3)CC[C@H]21 ZINC001119975341 815181260 /nfs/dbraw/zinc/18/12/60/815181260.db2.gz UKGQMWUMUIGSSG-GDBMZVCRSA-N 2 1 262.372 2.394 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccc(F)cc3)CC[C@H]21 ZINC001119975341 815181261 /nfs/dbraw/zinc/18/12/61/815181261.db2.gz UKGQMWUMUIGSSG-GDBMZVCRSA-N 2 1 262.372 2.394 20 0 CEADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)CC1(C)C ZINC001171631493 815201756 /nfs/dbraw/zinc/20/17/56/815201756.db2.gz JQFCXKFRLVCIEC-XJKSGUPXSA-N 2 1 286.435 2.433 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@](C)(O)[C@@H](F)C2)CC1(C)C ZINC001171631493 815201760 /nfs/dbraw/zinc/20/17/60/815201760.db2.gz JQFCXKFRLVCIEC-XJKSGUPXSA-N 2 1 286.435 2.433 20 0 CEADMP C[C@@H]1COCC[N@@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171631974 815201876 /nfs/dbraw/zinc/20/18/76/815201876.db2.gz RQRBWUBZBSQRCB-GFCCVEGCSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@@H]1COCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171631974 815201877 /nfs/dbraw/zinc/20/18/77/815201877.db2.gz RQRBWUBZBSQRCB-GFCCVEGCSA-N 2 1 254.418 2.359 20 0 CEADMP C[NH+]1C(C)(C)CC(N[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC001171619531 815204818 /nfs/dbraw/zinc/20/48/18/815204818.db2.gz NVFAOUGINQRMFD-HNNXBMFYSA-N 2 1 279.472 2.322 20 0 CEADMP CCCC[C@H](CC)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210101 808556764 /nfs/dbraw/zinc/55/67/64/808556764.db2.gz MOZOYMIUTZTWJK-LSDHHAIUSA-N 2 1 256.434 2.379 20 0 CEADMP C[C@H]1C[C@@H](n2cc(CC[NH3+])cn2)C[N@H+]1Cc1ccccc1 ZINC001171728500 815219363 /nfs/dbraw/zinc/21/93/63/815219363.db2.gz ONIPZTJZVGBKHC-WMLDXEAASA-N 2 1 284.407 2.220 20 0 CEADMP O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386638707 808583449 /nfs/dbraw/zinc/58/34/49/808583449.db2.gz WHONXGRKBDZKFR-TXEJJXNPSA-N 2 1 293.342 2.165 20 0 CEADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001171767236 815228544 /nfs/dbraw/zinc/22/85/44/815228544.db2.gz LZBCBESIIJDVEI-KANFNMMFSA-N 2 1 299.462 2.428 20 0 CEADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171767236 815228549 /nfs/dbraw/zinc/22/85/49/815228549.db2.gz LZBCBESIIJDVEI-KANFNMMFSA-N 2 1 299.462 2.428 20 0 CEADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171767236 815228555 /nfs/dbraw/zinc/22/85/55/815228555.db2.gz LZBCBESIIJDVEI-KANFNMMFSA-N 2 1 299.462 2.428 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168684572 808960988 /nfs/dbraw/zinc/96/09/88/808960988.db2.gz KJNYRAYXEAVHPC-DGCLKSJQSA-N 2 1 264.800 2.349 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000453229048 809043057 /nfs/dbraw/zinc/04/30/57/809043057.db2.gz PETSQKNZARJYGH-SOUVJXGZSA-N 2 1 266.429 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000453229048 809043063 /nfs/dbraw/zinc/04/30/63/809043063.db2.gz PETSQKNZARJYGH-SOUVJXGZSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033071207 809167776 /nfs/dbraw/zinc/16/77/76/809167776.db2.gz WYOZDRCCVNUQCO-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033071207 809167778 /nfs/dbraw/zinc/16/77/78/809167778.db2.gz WYOZDRCCVNUQCO-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033071207 809167780 /nfs/dbraw/zinc/16/77/80/809167780.db2.gz WYOZDRCCVNUQCO-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000700827887 809358556 /nfs/dbraw/zinc/35/85/56/809358556.db2.gz ZSJUKFHXFMQKCN-JHJVBQTASA-N 2 1 294.361 2.418 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)C2 ZINC001172099713 815282865 /nfs/dbraw/zinc/28/28/65/815282865.db2.gz NEWBMUONMQKFKB-ZJPYXAASSA-N 2 1 288.435 2.195 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)C2 ZINC001172099713 815282869 /nfs/dbraw/zinc/28/28/69/815282869.db2.gz NEWBMUONMQKFKB-ZJPYXAASSA-N 2 1 288.435 2.195 20 0 CEADMP CCCN(CCC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100237 815284590 /nfs/dbraw/zinc/28/45/90/815284590.db2.gz BUZNZHRNVRDLDZ-QDMKHBRRSA-N 2 1 253.434 2.063 20 0 CEADMP CCC[N@H+](CCC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172100237 815284593 /nfs/dbraw/zinc/28/45/93/815284593.db2.gz BUZNZHRNVRDLDZ-QDMKHBRRSA-N 3 1 253.434 2.063 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172100237 815284596 /nfs/dbraw/zinc/28/45/96/815284596.db2.gz BUZNZHRNVRDLDZ-QDMKHBRRSA-N 3 1 253.434 2.063 20 0 CEADMP Cc1cc(CNc2cc[nH+]cc2)cc(N2CCCC2)[nH+]1 ZINC001120860969 815287531 /nfs/dbraw/zinc/28/75/31/815287531.db2.gz ZSBVTLJRZXBBKC-UHFFFAOYSA-N 2 1 268.364 2.419 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1=CCCCC1 ZINC001128774098 809447704 /nfs/dbraw/zinc/44/77/04/809447704.db2.gz LKONTRNVKDJLRK-INIZCTEOSA-N 2 1 293.455 2.067 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172101917 815294327 /nfs/dbraw/zinc/29/43/27/815294327.db2.gz DBPCBZRKHVIWJX-OSYLJGHBSA-N 3 1 279.472 2.323 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172101917 815294333 /nfs/dbraw/zinc/29/43/33/815294333.db2.gz DBPCBZRKHVIWJX-OSYLJGHBSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(C)CCOCC1)C2 ZINC001172105835 815295963 /nfs/dbraw/zinc/29/59/63/815295963.db2.gz LAUUVDXTOVVSNJ-QDMKHBRRSA-N 2 1 266.429 2.408 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](C)C1CCC([NH3+])CC1)C2 ZINC001172104640 815296184 /nfs/dbraw/zinc/29/61/84/815296184.db2.gz DPLJEYVNAIMZLN-VXSNREPFSA-N 2 1 265.445 2.203 20 0 CEADMP C[N@H+](C1CCC([NH3+])CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172104640 815296188 /nfs/dbraw/zinc/29/61/88/815296188.db2.gz DPLJEYVNAIMZLN-VXSNREPFSA-N 3 1 265.445 2.203 20 0 CEADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172104640 815296191 /nfs/dbraw/zinc/29/61/91/815296191.db2.gz DPLJEYVNAIMZLN-VXSNREPFSA-N 3 1 265.445 2.203 20 0 CEADMP C[NH+](C1CCC([NH3+])CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104640 815296196 /nfs/dbraw/zinc/29/61/96/815296196.db2.gz DPLJEYVNAIMZLN-VXSNREPFSA-N 3 1 265.445 2.203 20 0 CEADMP C[NH+](C1CCC([NH3+])CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104640 815296199 /nfs/dbraw/zinc/29/61/99/815296199.db2.gz DPLJEYVNAIMZLN-VXSNREPFSA-N 3 1 265.445 2.203 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCC[NH+](C)CC1)C2 ZINC001172104818 815296248 /nfs/dbraw/zinc/29/62/48/815296248.db2.gz GFUXDRZUXVNTNX-YHUYYLMFSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCC[N@H+](C)CC1)C2 ZINC001172104818 815296251 /nfs/dbraw/zinc/29/62/51/815296251.db2.gz GFUXDRZUXVNTNX-YHUYYLMFSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCC[N@@H+](C)CC1)C2 ZINC001172104818 815296254 /nfs/dbraw/zinc/29/62/54/815296254.db2.gz GFUXDRZUXVNTNX-YHUYYLMFSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](C(C)C)C1 ZINC001034203637 809548697 /nfs/dbraw/zinc/54/86/97/809548697.db2.gz GKCGAIJNLJATCQ-CVEARBPZSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034203637 809548700 /nfs/dbraw/zinc/54/87/00/809548700.db2.gz GKCGAIJNLJATCQ-CVEARBPZSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](C(C)C)C1 ZINC001034203637 809548704 /nfs/dbraw/zinc/54/87/04/809548704.db2.gz GKCGAIJNLJATCQ-CVEARBPZSA-N 2 1 295.471 2.238 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3c(c1)C(=O)NC3)C2 ZINC001172111486 815301053 /nfs/dbraw/zinc/30/10/53/815301053.db2.gz RQPZPBQTNJPVOO-MUJYYYPQSA-N 2 1 299.418 2.035 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@](C)(O)CC1)C2 ZINC001172114706 815303626 /nfs/dbraw/zinc/30/36/26/815303626.db2.gz SJNGWQXPWUOJLR-JJXSEGSLSA-N 2 1 266.429 2.239 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@](C)(O)CC1)C2 ZINC001172114706 815303633 /nfs/dbraw/zinc/30/36/33/815303633.db2.gz SJNGWQXPWUOJLR-JJXSEGSLSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@](C)(O)CC1)C2 ZINC001172114706 815303640 /nfs/dbraw/zinc/30/36/40/815303640.db2.gz SJNGWQXPWUOJLR-JJXSEGSLSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@](C)(O)CC1)C2 ZINC001172114706 815303646 /nfs/dbraw/zinc/30/36/46/815303646.db2.gz SJNGWQXPWUOJLR-JJXSEGSLSA-N 2 1 266.429 2.239 20 0 CEADMP CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001034663054 809652604 /nfs/dbraw/zinc/65/26/04/809652604.db2.gz PGJCUSFGOIHOHV-BZUAXINKSA-N 2 1 295.471 2.286 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1C[C@@H]3C[C@@H]3[C@H](F)C1)C2 ZINC001172120665 815308052 /nfs/dbraw/zinc/30/80/52/815308052.db2.gz LJCQQQVPCQWYQL-RODWMJHOSA-N 2 1 252.377 2.292 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)ccn1)C2 ZINC001172119458 815309950 /nfs/dbraw/zinc/30/99/50/815309950.db2.gz ZZWOZFFBOYJBHQ-YOWGUQMCSA-N 2 1 263.360 2.326 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)ccn1)C2 ZINC001172119458 815309955 /nfs/dbraw/zinc/30/99/55/815309955.db2.gz ZZWOZFFBOYJBHQ-YOWGUQMCSA-N 2 1 263.360 2.326 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000704169665 809722536 /nfs/dbraw/zinc/72/25/36/809722536.db2.gz DQAFODURDSBZOC-SNVBAGLBSA-N 2 1 273.302 2.271 20 0 CEADMP CC[C@@H](C(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1)[NH+](C)C ZINC001035229290 809766829 /nfs/dbraw/zinc/76/68/29/809766829.db2.gz GFVKQGWGEACNQX-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1CCC[NH+](C)C1 ZINC000705137145 809770200 /nfs/dbraw/zinc/77/02/00/809770200.db2.gz SMWZBNISZXTKAZ-IFFAKLHKSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1CCC[N@H+](C)C1 ZINC000705137145 809770205 /nfs/dbraw/zinc/77/02/05/809770205.db2.gz SMWZBNISZXTKAZ-IFFAKLHKSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705137145 809770211 /nfs/dbraw/zinc/77/02/11/809770211.db2.gz SMWZBNISZXTKAZ-IFFAKLHKSA-N 3 1 279.472 2.181 20 0 CEADMP CN1CCC[C@@H](C[N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000705137145 809770218 /nfs/dbraw/zinc/77/02/18/809770218.db2.gz SMWZBNISZXTKAZ-IFFAKLHKSA-N 2 1 279.472 2.181 20 0 CEADMP CN1CCC[C@@H](C[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000705137145 809770222 /nfs/dbraw/zinc/77/02/22/809770222.db2.gz SMWZBNISZXTKAZ-IFFAKLHKSA-N 2 1 279.472 2.181 20 0 CEADMP CN(Cc1ccc(O)c(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000705197017 809775383 /nfs/dbraw/zinc/77/53/83/809775383.db2.gz KRYUYMQQCWXGCU-ZDUSSCGKSA-N 2 1 266.360 2.305 20 0 CEADMP C[N@@H+](Cc1ccc(O)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000705197017 809775385 /nfs/dbraw/zinc/77/53/85/809775385.db2.gz KRYUYMQQCWXGCU-ZDUSSCGKSA-N 2 1 266.360 2.305 20 0 CEADMP C[N@H+](Cc1ccc(O)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000705197017 809775387 /nfs/dbraw/zinc/77/53/87/809775387.db2.gz KRYUYMQQCWXGCU-ZDUSSCGKSA-N 2 1 266.360 2.305 20 0 CEADMP C[NH+](Cc1ccc(O)c(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000705197017 809775388 /nfs/dbraw/zinc/77/53/88/809775388.db2.gz KRYUYMQQCWXGCU-ZDUSSCGKSA-N 2 1 266.360 2.305 20 0 CEADMP C[NH+](Cc1ccc(O)c(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000705197017 809775390 /nfs/dbraw/zinc/77/53/90/809775390.db2.gz KRYUYMQQCWXGCU-ZDUSSCGKSA-N 2 1 266.360 2.305 20 0 CEADMP CCC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OCC ZINC000705370969 809780252 /nfs/dbraw/zinc/78/02/52/809780252.db2.gz UCCUQAMRHQQIRP-JALIKCBVSA-N 2 1 254.418 2.406 20 0 CEADMP [NH3+]CCc1c[nH+]cn1[C@@H]1CSc2ccccc2C1 ZINC001172191994 815319875 /nfs/dbraw/zinc/31/98/75/815319875.db2.gz XITUPZRYBGSYIV-ZDUSSCGKSA-N 2 1 259.378 2.274 20 0 CEADMP CC[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000708341955 809927305 /nfs/dbraw/zinc/92/73/05/809927305.db2.gz ONTBYTNKBWKQIM-IXIBIKRGSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000708347223 809927444 /nfs/dbraw/zinc/92/74/44/809927444.db2.gz IMFZCCJZMMIYMY-RQJABVFESA-N 2 1 254.418 2.107 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000709701369 809953305 /nfs/dbraw/zinc/95/33/05/809953305.db2.gz DOTBXGLSLHWHNL-RWMBFGLXSA-N 2 1 254.418 2.249 20 0 CEADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CC[N@H+](Cc3ccccc3)C1)[NH2+]2 ZINC000709354759 809960564 /nfs/dbraw/zinc/96/05/64/809960564.db2.gz PGIABEVJSUOMLA-WRNCNIFXSA-N 2 1 299.462 2.380 20 0 CEADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CC[N@@H+](Cc3ccccc3)C1)[NH2+]2 ZINC000709354759 809960569 /nfs/dbraw/zinc/96/05/69/809960569.db2.gz PGIABEVJSUOMLA-WRNCNIFXSA-N 2 1 299.462 2.380 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCC1CCOCC1)C2 ZINC000709801128 809970541 /nfs/dbraw/zinc/97/05/41/809970541.db2.gz PDRCAQJMVSFZAR-XHSDSOJGSA-N 2 1 266.429 2.395 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000709801230 809970700 /nfs/dbraw/zinc/97/07/00/809970700.db2.gz PJTFUYZLBBOXBJ-AJNGGQMLSA-N 2 1 264.413 2.290 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC1CCC2(CC2)CC1)C1CC1 ZINC000709989805 809978275 /nfs/dbraw/zinc/97/82/75/809978275.db2.gz MNFWPOAXWGFRRA-OAHLLOKOSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC1CCC2(CC2)CC1)C1CC1 ZINC000709989805 809978279 /nfs/dbraw/zinc/97/82/79/809978279.db2.gz MNFWPOAXWGFRRA-OAHLLOKOSA-N 2 1 266.429 2.002 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCCCCC[NH3+])C1 ZINC000710335871 809987068 /nfs/dbraw/zinc/98/70/68/809987068.db2.gz KKZFSIDAZBJSAD-CQSZACIVSA-N 2 1 283.460 2.132 20 0 CEADMP C[NH+](C)CC1(O)CC[NH+](Cc2sccc2Cl)CC1 ZINC000710630351 810001277 /nfs/dbraw/zinc/00/12/77/810001277.db2.gz FCIODWNVWOFSHW-UHFFFAOYSA-N 2 1 288.844 2.290 20 0 CEADMP C(C[N@H+]1C[C@@H]2CSC[C@@H]2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000711534384 810082696 /nfs/dbraw/zinc/08/26/96/810082696.db2.gz MGSARHASCBOBMU-LFAHVKQVSA-N 2 1 266.454 2.202 20 0 CEADMP CCCCN(C)C(=O)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923307116 810084521 /nfs/dbraw/zinc/08/45/21/810084521.db2.gz VCELVPQWEZPPNV-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)C1CCCCC1 ZINC000923371533 810088058 /nfs/dbraw/zinc/08/80/58/810088058.db2.gz BSVMCALQYBJLOL-HZPDHXFCSA-N 2 1 298.377 2.495 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000923371569 810089449 /nfs/dbraw/zinc/08/94/49/810089449.db2.gz YTERCDBTZCEBQO-LALPHHSUSA-N 2 1 250.361 2.344 20 0 CEADMP C[C@H]1c2sccc2CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000711815963 810097571 /nfs/dbraw/zinc/09/75/71/810097571.db2.gz JGZJDXVSZADSBA-WCQYABFASA-N 2 1 278.421 2.188 20 0 CEADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC001172243393 815355358 /nfs/dbraw/zinc/35/53/58/815355358.db2.gz IROZCDANIDLXCC-HUUCEWRRSA-N 2 1 272.408 2.358 20 0 CEADMP COCCCN1CCC([N@H+]2C[C@H](C)CC23CC3)CC1 ZINC001172254594 815359846 /nfs/dbraw/zinc/35/98/46/815359846.db2.gz RXVPAWIBIGSIJC-CQSZACIVSA-N 2 1 266.429 2.362 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2C[C@H](C)CC23CC3)CC1 ZINC001172254594 815359853 /nfs/dbraw/zinc/35/98/53/815359853.db2.gz RXVPAWIBIGSIJC-CQSZACIVSA-N 2 1 266.429 2.362 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2C[C@H](C)CC23CC3)CC1 ZINC001172254594 815359856 /nfs/dbraw/zinc/35/98/56/815359856.db2.gz RXVPAWIBIGSIJC-CQSZACIVSA-N 2 1 266.429 2.362 20 0 CEADMP COCCC[NH+]1CCC([NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001172253143 815361469 /nfs/dbraw/zinc/36/14/69/815361469.db2.gz DIHCJNLAOXJMCJ-HUUCEWRRSA-N 2 1 268.445 2.465 20 0 CEADMP CCc1cc(N2CCC[C@](C)(C[NH3+])CC2)nc(C)[nH+]1 ZINC001164247530 810333926 /nfs/dbraw/zinc/33/39/26/810333926.db2.gz KYSUPMSEPQVERN-HNNXBMFYSA-N 2 1 262.401 2.303 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001015791498 810354034 /nfs/dbraw/zinc/35/40/34/810354034.db2.gz GHCVOTYIZPXLRX-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015791498 810354040 /nfs/dbraw/zinc/35/40/40/810354040.db2.gz GHCVOTYIZPXLRX-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015791498 810354045 /nfs/dbraw/zinc/35/40/45/810354045.db2.gz GHCVOTYIZPXLRX-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCC1 ZINC001119246849 810410742 /nfs/dbraw/zinc/41/07/42/810410742.db2.gz JFBFAHZCBRNRJH-HNNXBMFYSA-N 2 1 266.429 2.267 20 0 CEADMP C[N@H+]1CCC[C@H](CNC(=O)CCCCC2CC[NH2+]CC2)C1 ZINC001121997013 815375757 /nfs/dbraw/zinc/37/57/57/815375757.db2.gz QZDGJECXQZFTQZ-MRXNPFEDSA-N 2 1 295.471 2.004 20 0 CEADMP Cc1ccc(NCCCNC(=O)c2ccccc2C[NH3+])[nH+]c1 ZINC001122005158 815376031 /nfs/dbraw/zinc/37/60/31/815376031.db2.gz WBJMOGCVDAIAEV-UHFFFAOYSA-N 2 1 298.390 2.081 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]C(C)C)C2 ZINC001122101644 815384937 /nfs/dbraw/zinc/38/49/37/815384937.db2.gz USWBHYFMISNPPB-UHFFFAOYSA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001172333983 815393833 /nfs/dbraw/zinc/39/38/33/815393833.db2.gz YWLZAVHJAJXURX-QXSJWSMHSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001172333983 815393840 /nfs/dbraw/zinc/39/38/40/815393840.db2.gz YWLZAVHJAJXURX-QXSJWSMHSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001085224469 810697420 /nfs/dbraw/zinc/69/74/20/810697420.db2.gz GQWSZQRGDGZMNP-BZUAXINKSA-N 2 1 295.471 2.001 20 0 CEADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@@H](C)[C@H](C)C3)C[C@@H]2C1 ZINC001172380340 815392152 /nfs/dbraw/zinc/39/21/52/815392152.db2.gz WILOEOHQOPZMCO-NQNKBUKLSA-N 2 1 280.456 2.464 20 0 CEADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@@H](C)[C@H](C)C3)C[C@@H]2C1 ZINC001172380340 815392159 /nfs/dbraw/zinc/39/21/59/815392159.db2.gz WILOEOHQOPZMCO-NQNKBUKLSA-N 2 1 280.456 2.464 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C)[C@H](C)C3)C[C@@H]2C1 ZINC001172380340 815392166 /nfs/dbraw/zinc/39/21/66/815392166.db2.gz WILOEOHQOPZMCO-NQNKBUKLSA-N 2 1 280.456 2.464 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C)[C@H](C)C3)C[C@@H]2C1 ZINC001172380340 815392171 /nfs/dbraw/zinc/39/21/71/815392171.db2.gz WILOEOHQOPZMCO-NQNKBUKLSA-N 2 1 280.456 2.464 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172333983 815393827 /nfs/dbraw/zinc/39/38/27/815393827.db2.gz YWLZAVHJAJXURX-QXSJWSMHSA-N 2 1 268.445 2.464 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)CC1 ZINC000716241108 810772504 /nfs/dbraw/zinc/77/25/04/810772504.db2.gz YFJXZSQYZSNLDE-ROUUACIJSA-N 2 1 287.451 2.335 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172352705 815400043 /nfs/dbraw/zinc/40/00/43/815400043.db2.gz ILQWOCCBIHEANM-BARDWOONSA-N 2 1 254.418 2.074 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001172352705 815400046 /nfs/dbraw/zinc/40/00/46/815400046.db2.gz ILQWOCCBIHEANM-BARDWOONSA-N 2 1 254.418 2.074 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001172352705 815400050 /nfs/dbraw/zinc/40/00/50/815400050.db2.gz ILQWOCCBIHEANM-BARDWOONSA-N 2 1 254.418 2.074 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC(C)C ZINC001085628744 810858414 /nfs/dbraw/zinc/85/84/14/810858414.db2.gz DXNVUDXMYAKCBZ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(C)C ZINC001085628744 810858423 /nfs/dbraw/zinc/85/84/23/810858423.db2.gz DXNVUDXMYAKCBZ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC(C)C ZINC001085628744 810858429 /nfs/dbraw/zinc/85/84/29/810858429.db2.gz DXNVUDXMYAKCBZ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP COc1ccc(C)[nH+]c1NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001155026854 810929078 /nfs/dbraw/zinc/92/90/78/810929078.db2.gz VXYNYENNEIARAQ-DGCLKSJQSA-N 2 1 263.385 2.446 20 0 CEADMP CC/C=C\CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129326959 811049705 /nfs/dbraw/zinc/04/97/05/811049705.db2.gz DBXQDYUPWNOTBC-KJPDOMRESA-N 2 1 295.471 2.026 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129327851 811068190 /nfs/dbraw/zinc/06/81/90/811068190.db2.gz KJVHPUFUDPKCLL-INIZCTEOSA-N 2 1 297.487 2.106 20 0 CEADMP CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086454515 811148441 /nfs/dbraw/zinc/14/84/41/811148441.db2.gz RKPZRTXXITZWNY-JYJNAYRXSA-N 2 1 295.471 2.003 20 0 CEADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H](CC)CC(C)C ZINC001172389582 815425007 /nfs/dbraw/zinc/42/50/07/815425007.db2.gz NWSBLWCTUIMSCQ-OLZOCXBDSA-N 2 1 258.406 2.071 20 0 CEADMP C[C@H](CCNC1=[NH+]CCCN1C)[N@@H+](C)Cc1ccccc1 ZINC000379716479 811169874 /nfs/dbraw/zinc/16/98/74/811169874.db2.gz LFGWWYOOWZFBFD-OAHLLOKOSA-N 2 1 288.439 2.178 20 0 CEADMP COc1cc(N(C)C2CC[NH2+]CC2)[nH+]c2ccccc21 ZINC001156175573 811215986 /nfs/dbraw/zinc/21/59/86/811215986.db2.gz KDEQFLMECGOCDL-UHFFFAOYSA-N 2 1 271.364 2.432 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CCOCC(C)C)C[C@@H]2C1 ZINC001172482402 815433083 /nfs/dbraw/zinc/43/30/83/815433083.db2.gz YJUOQNCOKALYHS-HRCADAONSA-N 2 1 268.445 2.321 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CCOCC(C)C)C[C@@H]2C1 ZINC001172482402 815433085 /nfs/dbraw/zinc/43/30/85/815433085.db2.gz YJUOQNCOKALYHS-HRCADAONSA-N 2 1 268.445 2.321 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CCOCC(C)C)C[C@@H]2C1 ZINC001172482402 815433088 /nfs/dbraw/zinc/43/30/88/815433088.db2.gz YJUOQNCOKALYHS-HRCADAONSA-N 2 1 268.445 2.321 20 0 CEADMP Cc1cc(-n2cnc3ccc(C[NH3+])cc32)c2[nH+]ccn2c1 ZINC001168843741 811268520 /nfs/dbraw/zinc/26/85/20/811268520.db2.gz FYIONDAJVABXKH-UHFFFAOYSA-N 2 1 277.331 2.440 20 0 CEADMP CSc1ncc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC001205996348 811355353 /nfs/dbraw/zinc/35/53/53/811355353.db2.gz WIHRPBSKRNZQOA-DGCLKSJQSA-N 2 1 280.441 2.005 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](CCO)c1ccccc1)C2 ZINC001169092746 811363299 /nfs/dbraw/zinc/36/32/99/811363299.db2.gz CMTGCDAWOKWOSI-YYIAUSFCSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOc1ccc(F)cc1)C2 ZINC001169096399 811366407 /nfs/dbraw/zinc/36/64/07/811366407.db2.gz VWVUQUGZQODIPS-QKDCVEJESA-N 2 1 278.371 2.419 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169093981 811366751 /nfs/dbraw/zinc/36/67/51/811366751.db2.gz JWHJMPRVANRYCY-OSYLJGHBSA-N 2 1 287.407 2.360 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169093981 811366761 /nfs/dbraw/zinc/36/67/61/811366761.db2.gz JWHJMPRVANRYCY-OSYLJGHBSA-N 2 1 287.407 2.360 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169098087 811369330 /nfs/dbraw/zinc/36/93/30/811369330.db2.gz FQVCSZMVSDSJRE-PHZGNYQRSA-N 2 1 274.408 2.453 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CCC3(CC1)OCCO3)C2 ZINC001169099704 811373247 /nfs/dbraw/zinc/37/32/47/811373247.db2.gz FAGWROUSAPCYHH-MUJYYYPQSA-N 2 1 294.439 2.135 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccccc3nc1C[NH3+])C2 ZINC001169078339 811377529 /nfs/dbraw/zinc/37/75/29/811377529.db2.gz DFVJALOVLMCNTK-CLLJXQQHSA-N 2 1 270.380 2.293 20 0 CEADMP COc1ccccc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169081301 811377591 /nfs/dbraw/zinc/37/75/91/811377591.db2.gz QGTYJKKKTSCBAN-PHZGNYQRSA-N 2 1 274.408 2.453 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC(C)(C)C[C@]1(C)CO)C2 ZINC001169124558 811393130 /nfs/dbraw/zinc/39/31/30/811393130.db2.gz FFNHEYWUGXOMKQ-HLPPOEQASA-N 2 1 266.429 2.095 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC(C)(C)C[C@]1(C)CO)C2 ZINC001169124558 811393133 /nfs/dbraw/zinc/39/31/33/811393133.db2.gz FFNHEYWUGXOMKQ-HLPPOEQASA-N 2 1 266.429 2.095 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC(C)(C)C[C@]1(C)CO)C2 ZINC001169124558 811393140 /nfs/dbraw/zinc/39/31/40/811393140.db2.gz FFNHEYWUGXOMKQ-HLPPOEQASA-N 2 1 266.429 2.095 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC(C)(C)C[C@]1(C)CO)C2 ZINC001169124558 811393147 /nfs/dbraw/zinc/39/31/47/811393147.db2.gz FFNHEYWUGXOMKQ-HLPPOEQASA-N 2 1 266.429 2.095 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3cc(O)ccc3C1)C2 ZINC001169131169 811398097 /nfs/dbraw/zinc/39/80/97/811398097.db2.gz QTRRPAGGISRUCX-MUJYYYPQSA-N 2 1 272.392 2.376 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3cc(O)ccc3C1)C2 ZINC001169131169 811398102 /nfs/dbraw/zinc/39/81/02/811398102.db2.gz QTRRPAGGISRUCX-MUJYYYPQSA-N 2 1 272.392 2.376 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCc3cc(O)ccc3C1)C2 ZINC001169131169 811398109 /nfs/dbraw/zinc/39/81/09/811398109.db2.gz QTRRPAGGISRUCX-MUJYYYPQSA-N 2 1 272.392 2.376 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCc3cc(O)ccc3C1)C2 ZINC001169131169 811398116 /nfs/dbraw/zinc/39/81/16/811398116.db2.gz QTRRPAGGISRUCX-MUJYYYPQSA-N 2 1 272.392 2.376 20 0 CEADMP COC[C@@]12CCC[C@@H]1C[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169134917 811398352 /nfs/dbraw/zinc/39/83/52/811398352.db2.gz XEJDNWZTKTXEHV-UUAJXVIYSA-N 2 1 278.440 2.360 20 0 CEADMP COC[C@@]12CCC[C@@H]1C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169134917 811398361 /nfs/dbraw/zinc/39/83/61/811398361.db2.gz XEJDNWZTKTXEHV-UUAJXVIYSA-N 2 1 278.440 2.360 20 0 CEADMP COC[C@@]12CCC[C@@H]1C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169134917 811398371 /nfs/dbraw/zinc/39/83/71/811398371.db2.gz XEJDNWZTKTXEHV-UUAJXVIYSA-N 2 1 278.440 2.360 20 0 CEADMP CN(C)c1cc[nH+]c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001169135836 811400102 /nfs/dbraw/zinc/40/01/02/811400102.db2.gz DDRGAXIQSTZXNL-WBMJQRKESA-N 2 1 291.443 2.498 20 0 CEADMP COC(=O)CC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC001169109021 811402865 /nfs/dbraw/zinc/40/28/65/811402865.db2.gz GFEQVMSPSJWAPG-QKDCVEJESA-N 2 1 294.439 2.467 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1COc3ccccc3C1)C2 ZINC001169109394 811403112 /nfs/dbraw/zinc/40/31/12/811403112.db2.gz BWKDHPHXGQXLAE-LLLHUVSDSA-N 2 1 286.419 2.453 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)C2 ZINC001169108906 811403535 /nfs/dbraw/zinc/40/35/35/811403535.db2.gz VXWYYUOXXBJIQA-FCGDIQPGSA-N 2 1 299.462 2.476 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCC1CC[NH+](C)CC1)C2 ZINC001169109445 811404174 /nfs/dbraw/zinc/40/41/74/811404174.db2.gz INVUFJALAYMICD-BJWYYQGGSA-N 3 1 279.472 2.323 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCC1CC[NH+](C)CC1)C2 ZINC001169109445 811404179 /nfs/dbraw/zinc/40/41/79/811404179.db2.gz INVUFJALAYMICD-BJWYYQGGSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(CC[NH3+])c1ccc(F)cc1)C2 ZINC001169115024 811406525 /nfs/dbraw/zinc/40/65/25/811406525.db2.gz GZPFQOZCABKZON-MUJYYYPQSA-N 2 1 277.387 2.216 20 0 CEADMP CCOC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169141643 811409139 /nfs/dbraw/zinc/40/91/39/811409139.db2.gz RMIBSSFBRNSHJH-BTTYYORXSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1cnccn1)C2 ZINC001169141645 811409218 /nfs/dbraw/zinc/40/92/18/811409218.db2.gz RNAPOUSFNSPUGX-FQLMCAECSA-N 2 1 272.396 2.239 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1cnccn1)C2 ZINC001169141645 811409223 /nfs/dbraw/zinc/40/92/23/811409223.db2.gz RNAPOUSFNSPUGX-FQLMCAECSA-N 2 1 272.396 2.239 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1cnccn1)C2 ZINC001169141645 811409226 /nfs/dbraw/zinc/40/92/26/811409226.db2.gz RNAPOUSFNSPUGX-FQLMCAECSA-N 2 1 272.396 2.239 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1cnccn1)C2 ZINC001169141645 811409229 /nfs/dbraw/zinc/40/92/29/811409229.db2.gz RNAPOUSFNSPUGX-FQLMCAECSA-N 2 1 272.396 2.239 20 0 CEADMP C[NH2+]Cc1c(C)nn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC001169147247 811410797 /nfs/dbraw/zinc/41/07/97/811410797.db2.gz TUJMBHMCCZTVIQ-WDNDVIMCSA-N 2 1 262.401 2.017 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(n3ccnc3)CC1)C2 ZINC001169147660 811412374 /nfs/dbraw/zinc/41/23/74/811412374.db2.gz VTHVHKSMEBVPNB-MUJYYYPQSA-N 2 1 274.412 2.145 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(n3cccn3)CC1)C2 ZINC001169155324 811417787 /nfs/dbraw/zinc/41/77/87/811417787.db2.gz NBYBSXJYPKSWHX-MUJYYYPQSA-N 2 1 274.412 2.145 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@H]([NH+]3CCCC3)[C@@H](F)C1)C2 ZINC001169161159 811420117 /nfs/dbraw/zinc/42/01/17/811420117.db2.gz OYUXTOWGXMTTKI-BQJWPVKWSA-N 2 1 295.446 2.120 20 0 CEADMP COc1cc2[nH+]ccn2cc1-n1ncc2c1cccc2C[NH3+] ZINC001169193474 811425853 /nfs/dbraw/zinc/42/58/53/811425853.db2.gz XMHNTKHCBADDSO-UHFFFAOYSA-N 2 1 293.330 2.141 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCc3ccccc3[C@H]2O)CC1 ZINC001169229563 811442888 /nfs/dbraw/zinc/44/28/88/811442888.db2.gz BIHTWCXXIVEPMC-DLBZAZTESA-N 2 1 274.408 2.109 20 0 CEADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](C(C)C)C1 ZINC001044170664 811449230 /nfs/dbraw/zinc/44/92/30/811449230.db2.gz SROIANBQLSUVAE-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](C(C)C)C1 ZINC001044170664 811449236 /nfs/dbraw/zinc/44/92/36/811449236.db2.gz SROIANBQLSUVAE-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCC(N2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001169261646 811451315 /nfs/dbraw/zinc/45/13/15/811451315.db2.gz KBVOLCYHIRRJIE-UHFFFAOYSA-N 2 1 265.445 2.029 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC001169266653 811455092 /nfs/dbraw/zinc/45/50/92/811455092.db2.gz ZYBOCNYFRVQTFL-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC001169266653 811455095 /nfs/dbraw/zinc/45/50/95/811455095.db2.gz ZYBOCNYFRVQTFL-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP CCN1CCC([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CC1 ZINC001169245871 811460700 /nfs/dbraw/zinc/46/07/00/811460700.db2.gz KJGXVJVSZZOUGD-TXEJJXNPSA-N 2 1 258.356 2.448 20 0 CEADMP CC[NH+]1CCC([N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CC1 ZINC001169245871 811460705 /nfs/dbraw/zinc/46/07/05/811460705.db2.gz KJGXVJVSZZOUGD-TXEJJXNPSA-N 2 1 258.356 2.448 20 0 CEADMP CC[NH+]1CCC([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CC1 ZINC001169245871 811460713 /nfs/dbraw/zinc/46/07/13/811460713.db2.gz KJGXVJVSZZOUGD-TXEJJXNPSA-N 2 1 258.356 2.448 20 0 CEADMP CC[NH+]1CCC([NH+]2CCC(NC(=O)CC(C)C)CC2)CC1 ZINC001169258955 811468410 /nfs/dbraw/zinc/46/84/10/811468410.db2.gz WFIUQSZWUVEMCQ-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CCCC[C@H]2CCOC)CC1 ZINC001169258553 811469022 /nfs/dbraw/zinc/46/90/22/811469022.db2.gz MBYFWEJDIYHAHF-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+]1CCC([N@H+]2CCCC[C@H]2CCOC)CC1 ZINC001169258553 811469029 /nfs/dbraw/zinc/46/90/29/811469029.db2.gz MBYFWEJDIYHAHF-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1OC ZINC001206165141 815458995 /nfs/dbraw/zinc/45/89/95/815458995.db2.gz MGBLCUAHWITULB-KBPBESRZSA-N 2 1 296.386 2.355 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1OC ZINC001206165141 815458999 /nfs/dbraw/zinc/45/89/99/815458999.db2.gz MGBLCUAHWITULB-KBPBESRZSA-N 2 1 296.386 2.355 20 0 CEADMP CCOC(=O)N1CCC[C@H]([N@@H+](CCC[NH3+])C(C)C)CC1 ZINC001169644695 811603326 /nfs/dbraw/zinc/60/33/26/811603326.db2.gz IOFVMSNOBYRUGL-AWEZNQCLSA-N 2 1 285.432 2.057 20 0 CEADMP CCOC(=O)N1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001169649908 811606074 /nfs/dbraw/zinc/60/60/74/811606074.db2.gz UVTUVBHOGQCKHV-GJZGRUSLSA-N 2 1 297.443 2.071 20 0 CEADMP COC(=O)[C@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001172592381 815466598 /nfs/dbraw/zinc/46/65/98/815466598.db2.gz HVVKCULWLZXVFY-AJNGGQMLSA-N 2 1 282.428 2.181 20 0 CEADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169963662 811729087 /nfs/dbraw/zinc/72/90/87/811729087.db2.gz YHOFWFFZLKUDKF-OAHLLOKOSA-N 2 1 282.428 2.088 20 0 CEADMP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108793831 811765494 /nfs/dbraw/zinc/76/54/94/811765494.db2.gz GEBMDGOURMZSIE-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046553768 811773970 /nfs/dbraw/zinc/77/39/70/811773970.db2.gz KENYGXWKFCQRCU-DOTOQJQBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046553768 811773975 /nfs/dbraw/zinc/77/39/75/811773975.db2.gz KENYGXWKFCQRCU-DOTOQJQBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046553768 811773980 /nfs/dbraw/zinc/77/39/80/811773980.db2.gz KENYGXWKFCQRCU-DOTOQJQBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046553768 811773983 /nfs/dbraw/zinc/77/39/83/811773983.db2.gz KENYGXWKFCQRCU-DOTOQJQBSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1nc2cc(C)ccn2c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206173111 815489644 /nfs/dbraw/zinc/48/96/44/815489644.db2.gz FBGQFFQIKBNQPJ-KBPBESRZSA-N 2 1 290.386 2.212 20 0 CEADMP Cc1nc2cc(C)ccn2c1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206173111 815489649 /nfs/dbraw/zinc/48/96/49/815489649.db2.gz FBGQFFQIKBNQPJ-KBPBESRZSA-N 2 1 290.386 2.212 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206566276 812092680 /nfs/dbraw/zinc/09/26/80/812092680.db2.gz ZELILYRYBFVOHI-MRXNPFEDSA-N 2 1 278.396 2.352 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206566276 812092688 /nfs/dbraw/zinc/09/26/88/812092688.db2.gz ZELILYRYBFVOHI-MRXNPFEDSA-N 2 1 278.396 2.352 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001172746657 815501194 /nfs/dbraw/zinc/50/11/94/815501194.db2.gz REGAKNORUSYDKU-ZIAGYGMSSA-N 2 1 270.417 2.181 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001172751685 815503209 /nfs/dbraw/zinc/50/32/09/815503209.db2.gz YEYDZEPGAMDBGR-MCIONIFRSA-N 2 1 270.417 2.037 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001172751685 815503211 /nfs/dbraw/zinc/50/32/11/815503211.db2.gz YEYDZEPGAMDBGR-MCIONIFRSA-N 2 1 270.417 2.037 20 0 CEADMP CC(C)CCC[C@@H](C)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001170091654 812130465 /nfs/dbraw/zinc/13/04/65/812130465.db2.gz WDURHUUOMKIDJB-OAHLLOKOSA-N 2 1 267.461 2.133 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172767739 815513453 /nfs/dbraw/zinc/51/34/53/815513453.db2.gz KJPIUXLMKGRUEA-KGLIPLIRSA-N 2 1 270.417 2.169 20 0 CEADMP C[C@@H]1CC[C@H]([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)C1 ZINC001170134300 812209980 /nfs/dbraw/zinc/20/99/80/812209980.db2.gz AFUFSPXWPHDWPR-OLZOCXBDSA-N 2 1 265.401 2.305 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)[C@H](C)CCC(=O)OC(C)C ZINC001172762821 815511266 /nfs/dbraw/zinc/51/12/66/815511266.db2.gz PFVFFSFDWFGWGE-CQSZACIVSA-N 2 1 272.433 2.380 20 0 CEADMP C[C@H]1CC[C@H](N2CC[NH+](CC3CC[NH+](C)CC3)CC2)C1 ZINC001170156357 812284547 /nfs/dbraw/zinc/28/45/47/812284547.db2.gz DPGWXTPYGIFAGF-RDJZCZTQSA-N 2 1 279.472 2.134 20 0 CEADMP Cc1ncc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)s1 ZINC001243378454 812302385 /nfs/dbraw/zinc/30/23/85/812302385.db2.gz CDTFYBDUOWNXIO-UHFFFAOYSA-N 2 1 270.361 2.453 20 0 CEADMP CC[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001170172467 812334658 /nfs/dbraw/zinc/33/46/58/812334658.db2.gz ZDLVUOIDNXVIEM-QMIVOQANSA-N 2 1 252.402 2.159 20 0 CEADMP C[NH+]1CC(CNc2ccc([C@@H]3CC[N@@H+](C)C3)cc2)C1 ZINC001170257985 812363328 /nfs/dbraw/zinc/36/33/28/812363328.db2.gz FQAZHQFWUKHIOF-OAHLLOKOSA-N 2 1 259.397 2.079 20 0 CEADMP Cc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[N@H+](C)C1)CC2 ZINC001172824754 815527601 /nfs/dbraw/zinc/52/76/01/815527601.db2.gz AFYSUNAQUBEGTF-RHSMWYFYSA-N 2 1 258.409 2.394 20 0 CEADMP CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052835856 812465275 /nfs/dbraw/zinc/46/52/75/812465275.db2.gz DXSIWTSGLPMVFT-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052933821 812475735 /nfs/dbraw/zinc/47/57/35/812475735.db2.gz GREATRRKAWXDSQ-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H](Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1)C(C)(C)C ZINC001157875863 812501180 /nfs/dbraw/zinc/50/11/80/812501180.db2.gz OCJMYJFIGJARPL-NSHDSACASA-N 2 1 277.416 2.251 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC001172806181 815532935 /nfs/dbraw/zinc/53/29/35/815532935.db2.gz GHZLPITUFJIVCJ-BFYDXBDKSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC001172806181 815532937 /nfs/dbraw/zinc/53/29/37/815532937.db2.gz GHZLPITUFJIVCJ-BFYDXBDKSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001172806181 815532939 /nfs/dbraw/zinc/53/29/39/815532939.db2.gz GHZLPITUFJIVCJ-BFYDXBDKSA-N 2 1 294.439 2.136 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001172919209 815544682 /nfs/dbraw/zinc/54/46/82/815544682.db2.gz OAYQWHHJLPQSQX-QPSCCSFWSA-N 2 1 254.418 2.406 20 0 CEADMP Cc1cc(C)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC001137321443 812676088 /nfs/dbraw/zinc/67/60/88/812676088.db2.gz LVUGCQYTTFJBJD-UHFFFAOYSA-N 2 1 270.380 2.349 20 0 CEADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCC1CC1 ZINC001132248225 812809285 /nfs/dbraw/zinc/80/92/85/812809285.db2.gz DJEPXTNEKCALGX-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132265066 812812470 /nfs/dbraw/zinc/81/24/70/812812470.db2.gz HQQSCKGVHQGGKT-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132278029 812817764 /nfs/dbraw/zinc/81/77/64/812817764.db2.gz LIOGGBZPWQDFJW-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132441177 812856545 /nfs/dbraw/zinc/85/65/45/812856545.db2.gz LLSRYYVIKXCDAT-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132441177 812856554 /nfs/dbraw/zinc/85/65/54/812856554.db2.gz LLSRYYVIKXCDAT-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132441177 812856562 /nfs/dbraw/zinc/85/65/62/812856562.db2.gz LLSRYYVIKXCDAT-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC2CCCC2)C1 ZINC001132737168 812935853 /nfs/dbraw/zinc/93/58/53/812935853.db2.gz JBROZPUNRUWTKX-MRXNPFEDSA-N 2 1 295.471 2.004 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000226391529 813040305 /nfs/dbraw/zinc/04/03/05/813040305.db2.gz QLIONMQJKMIUAP-OAHLLOKOSA-N 2 1 286.366 2.318 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000226391529 813040312 /nfs/dbraw/zinc/04/03/12/813040312.db2.gz QLIONMQJKMIUAP-OAHLLOKOSA-N 2 1 286.366 2.318 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]2CN)CC1 ZINC001173103724 815580827 /nfs/dbraw/zinc/58/08/27/815580827.db2.gz QBXJKKWLFOMZTF-NRXISQOPSA-N 2 1 253.434 2.063 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001173103724 815580828 /nfs/dbraw/zinc/58/08/28/815580828.db2.gz QBXJKKWLFOMZTF-NRXISQOPSA-N 3 1 253.434 2.063 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001173103724 815580830 /nfs/dbraw/zinc/58/08/30/815580830.db2.gz QBXJKKWLFOMZTF-NRXISQOPSA-N 3 1 253.434 2.063 20 0 CEADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCCC(C)(C)C ZINC001133823364 813158796 /nfs/dbraw/zinc/15/87/96/813158796.db2.gz DDUXQEAKKGBXAN-AWEZNQCLSA-N 2 1 283.460 2.003 20 0 CEADMP C[N@@H+](CC(=O)NCC[NH2+]CC1=CCCCC1)CC(C)(C)C ZINC001133899750 813176499 /nfs/dbraw/zinc/17/64/99/813176499.db2.gz VNEWRUZHGBXKJC-UHFFFAOYSA-N 2 1 295.471 2.171 20 0 CEADMP CC(C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390748781 813269089 /nfs/dbraw/zinc/26/90/89/813269089.db2.gz RGYKHUKPQMVIEW-MRXNPFEDSA-N 2 1 288.439 2.421 20 0 CEADMP C[C@H](CO)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000390793856 813270748 /nfs/dbraw/zinc/27/07/48/813270748.db2.gz GVCCIUDIJWHNAB-RYQLBKOJSA-N 2 1 288.435 2.069 20 0 CEADMP C[C@H](CO)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000390793856 813270754 /nfs/dbraw/zinc/27/07/54/813270754.db2.gz GVCCIUDIJWHNAB-RYQLBKOJSA-N 2 1 288.435 2.069 20 0 CEADMP C[C@H](CO)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000390793856 813270755 /nfs/dbraw/zinc/27/07/55/813270755.db2.gz GVCCIUDIJWHNAB-RYQLBKOJSA-N 2 1 288.435 2.069 20 0 CEADMP CC/C=C\CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135095729 813364075 /nfs/dbraw/zinc/36/40/75/813364075.db2.gz OYEQNPBBMJMURI-HFZJXRFXSA-N 2 1 293.455 2.065 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135102732 813365563 /nfs/dbraw/zinc/36/55/63/813365563.db2.gz LYADEHRUYAFNNF-HOTGVXAUSA-N 2 1 295.471 2.289 20 0 CEADMP CCc1cnc(C[N@@H+](C)C2CCC([NH3+])CC2)s1 ZINC000394717602 813443594 /nfs/dbraw/zinc/44/35/94/813443594.db2.gz HPDWFRQSDBTHPG-UHFFFAOYSA-N 2 1 253.415 2.407 20 0 CEADMP CC(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477400 813446539 /nfs/dbraw/zinc/44/65/39/813446539.db2.gz UYRBESDUFMGUOE-GJZGRUSLSA-N 2 1 297.487 2.247 20 0 CEADMP C[C@H](C[C@@H](C)[NH2+]CC1CC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135477094 813446824 /nfs/dbraw/zinc/44/68/24/813446824.db2.gz QQKWIOXEQQAAQF-ZIAGYGMSSA-N 2 1 297.487 2.247 20 0 CEADMP CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476918 813446957 /nfs/dbraw/zinc/44/69/57/813446957.db2.gz NWEGHORXSIMSOP-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071930077 813515570 /nfs/dbraw/zinc/51/55/70/813515570.db2.gz BNLFHXVYLRAHER-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001170868966 813568173 /nfs/dbraw/zinc/56/81/73/813568173.db2.gz XWHZGRNITHWEMF-MRXNPFEDSA-N 2 1 291.439 2.185 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC1 ZINC001135979107 813578151 /nfs/dbraw/zinc/57/81/51/813578151.db2.gz CIGBUDIEUXAOHC-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246083719 813675885 /nfs/dbraw/zinc/67/58/85/813675885.db2.gz IQOOVYFCIBPIGN-ZOWXZIJZSA-N 2 1 250.361 2.487 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCNCC2)CC(C)(C)C1 ZINC001246090719 813678920 /nfs/dbraw/zinc/67/89/20/813678920.db2.gz YMWMAVOLCBLLKP-HOTGVXAUSA-N 2 1 281.488 2.476 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC000399266582 813706138 /nfs/dbraw/zinc/70/61/38/813706138.db2.gz RTJBCZWVMITVLS-BBBLOLIVSA-N 2 1 251.201 2.239 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(F)cc2F)C[NH2+]1 ZINC001246323100 813777194 /nfs/dbraw/zinc/77/71/94/813777194.db2.gz IRERFQSEZWMSON-ZWNOBZJWSA-N 2 1 254.324 2.237 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1COc2ccc(Cl)cc2C1 ZINC001246331917 813783559 /nfs/dbraw/zinc/78/35/59/813783559.db2.gz KQZPPKNYZHIYIA-OLZOCXBDSA-N 2 1 268.788 2.216 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[NH2+]CCC2(C)C)C1 ZINC001246334529 813789653 /nfs/dbraw/zinc/78/96/53/813789653.db2.gz ZZCYQPCMTQUKAT-MCIONIFRSA-N 2 1 282.428 2.086 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC2(C)C)C[C@H](CC)[NH2+]1 ZINC001246370641 813805935 /nfs/dbraw/zinc/80/59/35/813805935.db2.gz FBRSAPPFMOYZKC-YJNKXOJESA-N 3 1 267.461 2.273 20 0 CEADMP CC(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074648813 813840833 /nfs/dbraw/zinc/84/08/33/813840833.db2.gz JEKHQQFZICRCTJ-JYJNAYRXSA-N 2 1 295.471 2.094 20 0 CEADMP CCCCOC(=O)CC[C@@H](C)[NH2+][C@]1(CC)CC[NH2+]C1 ZINC001246464657 813850251 /nfs/dbraw/zinc/85/02/51/813850251.db2.gz SEHBYWLGJNXKCU-UKRRQHHQSA-N 2 1 270.417 2.230 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171094013 813857232 /nfs/dbraw/zinc/85/72/32/813857232.db2.gz JPWKTJBNKBHCCB-KGLIPLIRSA-N 2 1 250.773 2.230 20 0 CEADMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171094013 813857241 /nfs/dbraw/zinc/85/72/41/813857241.db2.gz JPWKTJBNKBHCCB-KGLIPLIRSA-N 2 1 250.773 2.230 20 0 CEADMP COc1ccccc1C[C@@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246540586 813951657 /nfs/dbraw/zinc/95/16/57/813951657.db2.gz JWZHXDHMTAGTDS-GZBFAFLISA-N 2 1 262.397 2.153 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc(O)c3C)C[C@@H]2C1 ZINC001144120839 813962524 /nfs/dbraw/zinc/96/25/24/813962524.db2.gz ARUVWKRCZCKQRM-HOTGVXAUSA-N 2 1 274.408 2.474 20 0 CEADMP CSCC[C@@H](C)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246555679 814028915 /nfs/dbraw/zinc/02/89/15/814028915.db2.gz HHTPSBXOKCAFAN-NXEZZACHSA-N 2 1 252.374 2.044 20 0 CEADMP CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)C[C@@H]21 ZINC001246561403 814048104 /nfs/dbraw/zinc/04/81/04/814048104.db2.gz WYGQGOUPHFDQDZ-KKOKHZNYSA-N 2 1 258.356 2.337 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H](CO)CC1 ZINC001255955708 814059951 /nfs/dbraw/zinc/05/99/51/814059951.db2.gz DAXDILCUDJSNGH-CABCVRRESA-N 2 1 256.434 2.201 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001255963169 814062547 /nfs/dbraw/zinc/06/25/47/814062547.db2.gz DQTDFQXGOGHWDD-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[NH2+]CC[N@@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001246575212 814116717 /nfs/dbraw/zinc/11/67/17/814116717.db2.gz WFMKRESZXHQUFU-OCCSQVGLSA-N 2 1 262.372 2.224 20 0 CEADMP C[C@@H]1C[NH2+]CC[N@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001246575212 814116721 /nfs/dbraw/zinc/11/67/21/814116721.db2.gz WFMKRESZXHQUFU-OCCSQVGLSA-N 2 1 262.372 2.224 20 0 CEADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@@H]2CCc3ncsc3C2)C1 ZINC001246583429 814158856 /nfs/dbraw/zinc/15/88/56/814158856.db2.gz QVDHHZKCUXQFII-NWDGAFQWSA-N 2 1 265.426 2.061 20 0 CEADMP CCCCC[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001100678686 814170280 /nfs/dbraw/zinc/17/02/80/814170280.db2.gz TVCWDQYVXKWZJI-QQFBHYJXSA-N 2 1 295.471 2.003 20 0 CEADMP CC1(C)C[C@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CCO1 ZINC001246588020 814176813 /nfs/dbraw/zinc/17/68/13/814176813.db2.gz XOLVHDZEFSYGRD-HIFRSBDPSA-N 2 1 254.418 2.395 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](F)[C@@H](N)CC2)CC1(C)C ZINC001246595097 814190649 /nfs/dbraw/zinc/19/06/49/814190649.db2.gz XLPYCSOKKSTBTR-KGLIPLIRSA-N 2 1 285.451 2.399 20 0 CEADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@H](F)[C@@H](N)CC2)CC1(C)C ZINC001246595097 814190655 /nfs/dbraw/zinc/19/06/55/814190655.db2.gz XLPYCSOKKSTBTR-KGLIPLIRSA-N 2 1 285.451 2.399 20 0 CEADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@H](N)[C@@H](F)CC2)CC1(C)C ZINC001246595123 814190866 /nfs/dbraw/zinc/19/08/66/814190866.db2.gz XLPYCSOKKSTBTR-UONOGXRCSA-N 2 1 285.451 2.399 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](N)[C@@H](F)CC2)CC1(C)C ZINC001246595123 814190871 /nfs/dbraw/zinc/19/08/71/814190871.db2.gz XLPYCSOKKSTBTR-UONOGXRCSA-N 2 1 285.451 2.399 20 0 CEADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CCCC(C)(C)C)C1 ZINC001171226103 814192396 /nfs/dbraw/zinc/19/23/96/814192396.db2.gz CDZHXUPIOAASLP-HNNXBMFYSA-N 2 1 297.487 2.250 20 0 CEADMP C[NH2+]C1CCC([NH+]2CCC3(CCCC[NH2+]3)CC2)CC1 ZINC001246615471 814214119 /nfs/dbraw/zinc/21/41/19/814214119.db2.gz WEGRAOQLVIONAD-UHFFFAOYSA-N 3 1 265.445 2.125 20 0 CEADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171260917 814241827 /nfs/dbraw/zinc/24/18/27/814241827.db2.gz OJQRHXUWMFGDJM-CQSZACIVSA-N 2 1 283.460 2.144 20 0 CEADMP C[C@H]1C[C@H]([NH+]2CCC3(CCOCC3)CC2)CC[NH2+]1 ZINC001246844571 814279861 /nfs/dbraw/zinc/27/98/61/814279861.db2.gz ZHZSCWTWVNGMBE-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)CC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102295771 814376425 /nfs/dbraw/zinc/37/64/25/814376425.db2.gz ZVJYIZSGUBUGCN-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CC[C@@H](C)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292526 814376873 /nfs/dbraw/zinc/37/68/73/814376873.db2.gz RGTSEZDRQKOEBE-BZUAXINKSA-N 2 1 297.487 2.058 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC)C[C@H]1C ZINC001102472359 814389110 /nfs/dbraw/zinc/38/91/10/814389110.db2.gz YBMVEHDGILIICU-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC)C[C@H]1C ZINC001102472359 814389124 /nfs/dbraw/zinc/38/91/24/814389124.db2.gz YBMVEHDGILIICU-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC001102472359 814389130 /nfs/dbraw/zinc/38/91/30/814389130.db2.gz YBMVEHDGILIICU-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](C)CC)C[C@H]1C ZINC001102525345 814392694 /nfs/dbraw/zinc/39/26/94/814392694.db2.gz XQEKBGBIBGAIOE-BZUAXINKSA-N 2 1 297.487 2.058 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)CC)C[C@H]1C ZINC001102525345 814392703 /nfs/dbraw/zinc/39/27/03/814392703.db2.gz XQEKBGBIBGAIOE-BZUAXINKSA-N 2 1 297.487 2.058 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C ZINC001102525345 814392711 /nfs/dbraw/zinc/39/27/11/814392711.db2.gz XQEKBGBIBGAIOE-BZUAXINKSA-N 2 1 297.487 2.058 20 0 CEADMP CCCCCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161053423 814490625 /nfs/dbraw/zinc/49/06/25/814490625.db2.gz SZSIWACKNHWQRB-OAHLLOKOSA-N 2 1 283.460 2.147 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC001148656237 814594920 /nfs/dbraw/zinc/59/49/20/814594920.db2.gz XUPGYHWSHUPJQF-JKSUJKDBSA-N 2 1 297.487 2.250 20 0 CEADMP CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947751 814634725 /nfs/dbraw/zinc/63/47/25/814634725.db2.gz YZFUXPNSAXOECP-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](N(C)C)C2)CC1 ZINC001173108389 815582892 /nfs/dbraw/zinc/58/28/92/815582892.db2.gz JBPKHAXOSOXJJF-GPANFISMSA-N 2 1 267.461 2.275 20 0 CEADMP CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115596367 814726640 /nfs/dbraw/zinc/72/66/40/814726640.db2.gz DNGAEJYJKFSYAI-OAHLLOKOSA-N 2 1 295.471 2.289 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](C)[C@@H]2CCN(C)C2)CC1 ZINC001173114313 815584043 /nfs/dbraw/zinc/58/40/43/815584043.db2.gz GDKAGWHUBRRVDN-UYSNPLJNSA-N 2 1 267.461 2.275 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)CC[C@@H]1[NH3+] ZINC000712412472 814743639 /nfs/dbraw/zinc/74/36/39/814743639.db2.gz BOAGSVVNKAGLSY-RDBSUJKOSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712416942 814744657 /nfs/dbraw/zinc/74/46/57/814744657.db2.gz PGHAPVYXDWCNBJ-IHRRRGAJSA-N 2 1 252.402 2.147 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ncsc3C2)CC1 ZINC001173126860 815588985 /nfs/dbraw/zinc/58/89/85/815588985.db2.gz RPOJTUCASXWABW-NWDGAFQWSA-N 2 1 265.426 2.074 20 0 CEADMP C[N@@H+](C[C@@H]1CCC(C)(C)CO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000713588760 814865301 /nfs/dbraw/zinc/86/53/01/814865301.db2.gz WXGJSUJGRDHPAN-IXXDHKBRSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000713590071 814866306 /nfs/dbraw/zinc/86/63/06/814866306.db2.gz AEFAVQPYBOLHJZ-LXTVHRRPSA-N 2 1 268.445 2.497 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000713590069 814866529 /nfs/dbraw/zinc/86/65/29/814866529.db2.gz AEFAVQPYBOLHJZ-BARDWOONSA-N 2 1 268.445 2.497 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@H]2CCCC(C)(C)O2)[C@@H]1CN ZINC000714349612 814896470 /nfs/dbraw/zinc/89/64/70/814896470.db2.gz MSDAZSYLYPWCMP-MGPQQGTHSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)O2)[C@@H]1CN ZINC000714349612 814896474 /nfs/dbraw/zinc/89/64/74/814896474.db2.gz MSDAZSYLYPWCMP-MGPQQGTHSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@H]2CCCC(C)(C)O2)[C@@H]1C[NH3+] ZINC000714349612 814896478 /nfs/dbraw/zinc/89/64/78/814896478.db2.gz MSDAZSYLYPWCMP-MGPQQGTHSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)O2)[C@@H]1C[NH3+] ZINC000714349612 814896482 /nfs/dbraw/zinc/89/64/82/814896482.db2.gz MSDAZSYLYPWCMP-MGPQQGTHSA-N 2 1 254.418 2.393 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000714764192 814915633 /nfs/dbraw/zinc/91/56/33/814915633.db2.gz GFTSQYWIICJETM-UHFFFAOYSA-N 2 1 278.396 2.407 20 0 CEADMP CCC(CC)[NH+]1CCC(N[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001173352949 815691053 /nfs/dbraw/zinc/69/10/53/815691053.db2.gz GXHFXHIEHQNMDY-HNNXBMFYSA-N 2 1 267.461 2.323 20 0 CEADMP COC(=O)CCCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001173451066 815734597 /nfs/dbraw/zinc/73/45/97/815734597.db2.gz DDHHSYZWCLSYLH-KGLIPLIRSA-N 2 1 270.417 2.182 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](CCC[NH3+])C(C)C)C1 ZINC001173622448 815765652 /nfs/dbraw/zinc/76/56/52/815765652.db2.gz KZBNQSPEONEIHB-KGLIPLIRSA-N 2 1 270.417 2.168 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC001173622967 815766909 /nfs/dbraw/zinc/76/69/09/815766909.db2.gz PDXQVDJITHHGTH-UKRRQHHQSA-N 2 1 282.428 2.182 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC001173662609 815780003 /nfs/dbraw/zinc/78/00/03/815780003.db2.gz YLAUGDFTMLRLSY-VYDXJSESSA-N 2 1 294.439 2.136 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC001173662609 815780008 /nfs/dbraw/zinc/78/00/08/815780008.db2.gz YLAUGDFTMLRLSY-VYDXJSESSA-N 2 1 294.439 2.136 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC001173662609 815780012 /nfs/dbraw/zinc/78/00/12/815780012.db2.gz YLAUGDFTMLRLSY-VYDXJSESSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)c1ccc(C[C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC001173707152 815799034 /nfs/dbraw/zinc/79/90/34/815799034.db2.gz XNXJUPATJBWEGC-ZDUSSCGKSA-N 2 1 290.407 2.088 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173709717 815799130 /nfs/dbraw/zinc/79/91/30/815799130.db2.gz QMQMKDYBJUEVLQ-CQSZACIVSA-N 2 1 292.423 2.465 20 0 CEADMP COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2C)cc1 ZINC001138543637 815821455 /nfs/dbraw/zinc/82/14/55/815821455.db2.gz SBSAHTORLPUZKP-INIZCTEOSA-N 2 1 299.374 2.318 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)cc1 ZINC001138543422 815822048 /nfs/dbraw/zinc/82/20/48/815822048.db2.gz ODJFPJXFGZNSCL-CJNGLKHVSA-N 2 1 285.391 2.383 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)cc1 ZINC001138543422 815822057 /nfs/dbraw/zinc/82/20/57/815822057.db2.gz ODJFPJXFGZNSCL-CJNGLKHVSA-N 2 1 285.391 2.383 20 0 CEADMP C[NH+]1CCC2(C[NH+](Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC001138603547 815840618 /nfs/dbraw/zinc/84/06/18/815840618.db2.gz WVNDYQYEIUXXTK-UHFFFAOYSA-N 2 1 296.418 2.400 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cnc4[nH]ccc4c3)C[C@@H]2C1 ZINC001138739734 815883214 /nfs/dbraw/zinc/88/32/14/815883214.db2.gz FAKRBKZXAITZCT-IYBDPMFKSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cnc4[nH]ccc4c3)C[C@@H]2C1 ZINC001138739734 815883218 /nfs/dbraw/zinc/88/32/18/815883218.db2.gz FAKRBKZXAITZCT-IYBDPMFKSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cnc4[nH]ccc4c3)C[C@@H]2C1 ZINC001138739734 815883225 /nfs/dbraw/zinc/88/32/25/815883225.db2.gz FAKRBKZXAITZCT-IYBDPMFKSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cnc4[nH]ccc4c3)C[C@@H]2C1 ZINC001138739734 815883233 /nfs/dbraw/zinc/88/32/33/815883233.db2.gz FAKRBKZXAITZCT-IYBDPMFKSA-N 2 1 284.407 2.337 20 0 CEADMP CC[N@H+](CCN(C)C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138769770 815891487 /nfs/dbraw/zinc/89/14/87/815891487.db2.gz GUSJPPZHFJWHKA-UHFFFAOYSA-N 2 1 293.455 2.011 20 0 CEADMP CC[N@@H+](CCN(C)C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138769770 815891491 /nfs/dbraw/zinc/89/14/91/815891491.db2.gz GUSJPPZHFJWHKA-UHFFFAOYSA-N 2 1 293.455 2.011 20 0 CEADMP C[NH+]1CCC2(C[NH+](Cc3ccc4nsnc4c3)C2)CC1 ZINC001139215807 815989389 /nfs/dbraw/zinc/98/93/89/815989389.db2.gz RBWRBBLUIAGUNG-UHFFFAOYSA-N 2 1 288.420 2.219 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139320460 816002798 /nfs/dbraw/zinc/00/27/98/816002798.db2.gz XTJQBROBXUOBNS-CYBMUJFWSA-N 2 1 294.468 2.269 20 0 CEADMP C[C@@H]1CCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139320460 816002806 /nfs/dbraw/zinc/00/28/06/816002806.db2.gz XTJQBROBXUOBNS-CYBMUJFWSA-N 2 1 294.468 2.269 20 0 CEADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175264328 816165002 /nfs/dbraw/zinc/16/50/02/816165002.db2.gz SSXSMTMTJZCEPR-JKSUJKDBSA-N 2 1 297.487 2.393 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001176024185 816327224 /nfs/dbraw/zinc/32/72/24/816327224.db2.gz MKJZQNHVHFMWCF-OAHLLOKOSA-N 2 1 297.487 2.393 20 0 CEADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176166678 816359115 /nfs/dbraw/zinc/35/91/15/816359115.db2.gz VDCJYFBOHMBKKA-GJZGRUSLSA-N 2 1 283.460 2.001 20 0 CEADMP CC[N@@H+](CCn1ccnc1)Cc1c[nH]c2ccncc12 ZINC001140806046 816365948 /nfs/dbraw/zinc/36/59/48/816365948.db2.gz VGAZLKGUWYTTHF-UHFFFAOYSA-N 2 1 269.352 2.282 20 0 CEADMP CC[N@H+](CCn1ccnc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140806046 816365974 /nfs/dbraw/zinc/36/59/74/816365974.db2.gz VGAZLKGUWYTTHF-UHFFFAOYSA-N 2 1 269.352 2.282 20 0 CEADMP CC[N@@H+](CCn1ccnc1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140806046 816365983 /nfs/dbraw/zinc/36/59/83/816365983.db2.gz VGAZLKGUWYTTHF-UHFFFAOYSA-N 2 1 269.352 2.282 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176165415 816367373 /nfs/dbraw/zinc/36/73/73/816367373.db2.gz KTSZKEJULBFTBS-LSDHHAIUSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176564491 816442870 /nfs/dbraw/zinc/44/28/70/816442870.db2.gz PSPGSVKBOHHEKK-ZBFHGGJFSA-N 2 1 295.471 2.003 20 0 CEADMP CCC/C=C\CC[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176972319 816502844 /nfs/dbraw/zinc/50/28/44/816502844.db2.gz WGTHFQCAXNMDBX-FPLPWBNLSA-N 2 1 283.460 2.169 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001176972207 816503310 /nfs/dbraw/zinc/50/33/10/816503310.db2.gz QMQGXEPZRZTOOW-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]C(C)C)C12CCC2 ZINC001203102654 816503361 /nfs/dbraw/zinc/50/33/61/816503361.db2.gz IVLKBARJNFTXES-KBPBESRZSA-N 2 1 295.471 2.142 20 0 CEADMP COc1cccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1F ZINC001141222847 816505486 /nfs/dbraw/zinc/50/54/86/816505486.db2.gz VXKHRYZHYZUEKO-UHFFFAOYSA-N 2 1 278.371 2.362 20 0 CEADMP COc1cccnc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304880 816571803 /nfs/dbraw/zinc/57/18/03/816571803.db2.gz QKYROLGBPFPTHK-HNNXBMFYSA-N 2 1 263.385 2.041 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3[nH]cnc3C(C)(C)C)C[C@@H]2C1 ZINC001142217440 816641399 /nfs/dbraw/zinc/64/13/99/816641399.db2.gz GOKZEVGYEDIAOC-OLZOCXBDSA-N 2 1 276.428 2.091 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3[nH]cnc3C(C)(C)C)C[C@@H]2C1 ZINC001142217440 816641404 /nfs/dbraw/zinc/64/14/04/816641404.db2.gz GOKZEVGYEDIAOC-OLZOCXBDSA-N 2 1 276.428 2.091 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3[nH]cnc3C(C)(C)C)C[C@@H]2C1 ZINC001142217440 816641409 /nfs/dbraw/zinc/64/14/09/816641409.db2.gz GOKZEVGYEDIAOC-OLZOCXBDSA-N 2 1 276.428 2.091 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4[nH]cnc43)C2)CC1 ZINC001142690263 816709897 /nfs/dbraw/zinc/70/98/97/816709897.db2.gz RVONDWADJDSUAV-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC2(CC[N@H+](Cc3cccc4nc[nH]c43)C2)CC1 ZINC001142690263 816709902 /nfs/dbraw/zinc/70/99/02/816709902.db2.gz RVONDWADJDSUAV-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4nc[nH]c43)C2)CC1 ZINC001142690263 816709905 /nfs/dbraw/zinc/70/99/05/816709905.db2.gz RVONDWADJDSUAV-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178483470 816752835 /nfs/dbraw/zinc/75/28/35/816752835.db2.gz BCQDSWAVCAPJBU-HZPDHXFCSA-N 2 1 295.471 2.147 20 0 CEADMP CN1CCC[C@H]2C[N@@H+](Cc3cccc4n[nH]cc43)C[C@H]21 ZINC001143098465 816783607 /nfs/dbraw/zinc/78/36/07/816783607.db2.gz COBXXQIVIOYROS-XJKSGUPXSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@@H+]1CCC[C@H]2CN(Cc3cccc4n[nH]cc43)C[C@H]21 ZINC001143098465 816783610 /nfs/dbraw/zinc/78/36/10/816783610.db2.gz COBXXQIVIOYROS-XJKSGUPXSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@H+]1CCC[C@H]2CN(Cc3cccc4n[nH]cc43)C[C@H]21 ZINC001143098465 816783615 /nfs/dbraw/zinc/78/36/15/816783615.db2.gz COBXXQIVIOYROS-XJKSGUPXSA-N 2 1 270.380 2.089 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4n[nH]cc43)C[C@@H]2C1 ZINC001143099778 816784979 /nfs/dbraw/zinc/78/49/79/816784979.db2.gz WBVRWJPHUKPWHP-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4n[nH]cc43)C[C@@H]2C1 ZINC001143099778 816784981 /nfs/dbraw/zinc/78/49/81/816784981.db2.gz WBVRWJPHUKPWHP-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4n[nH]cc43)C[C@@H]2C1 ZINC001143099778 816784984 /nfs/dbraw/zinc/78/49/84/816784984.db2.gz WBVRWJPHUKPWHP-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179375002 816858884 /nfs/dbraw/zinc/85/88/84/816858884.db2.gz JCFBAICANSJVPQ-HOTGVXAUSA-N 2 1 297.487 2.393 20 0 CEADMP CC(C)[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179585020 816885350 /nfs/dbraw/zinc/88/53/50/816885350.db2.gz AJUXEBPHGAQGDJ-HNNXBMFYSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cncs1 ZINC000124390962 187135369 /nfs/dbraw/zinc/13/53/69/187135369.db2.gz BROYIMFAWPCVBE-ZDUSSCGKSA-N 2 1 296.484 2.067 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449087671 282094855 /nfs/dbraw/zinc/09/48/55/282094855.db2.gz GEYWWUUKTBQVJM-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449087671 282094857 /nfs/dbraw/zinc/09/48/57/282094857.db2.gz GEYWWUUKTBQVJM-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000337471609 214103802 /nfs/dbraw/zinc/10/38/02/214103802.db2.gz NUTJEENKMYTZLU-GJZGRUSLSA-N 2 1 252.402 2.043 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000449101660 282100381 /nfs/dbraw/zinc/10/03/81/282100381.db2.gz VBTNNAVOQFXRML-QLFBSQMISA-N 2 1 297.487 2.247 20 0 CEADMP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000449094764 282098483 /nfs/dbraw/zinc/09/84/83/282098483.db2.gz UAHYTOFFDRBIFE-FMKPAKJESA-N 2 1 268.445 2.248 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH2+]CCC ZINC000449110518 282103574 /nfs/dbraw/zinc/10/35/74/282103574.db2.gz DOYNSVMGCOVVKK-HUUCEWRRSA-N 2 1 283.460 2.145 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000336527944 365599994 /nfs/dbraw/zinc/59/99/94/365599994.db2.gz SLJQRDJOCHTFDR-GFCCVEGCSA-N 2 1 260.341 2.014 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CC[NH+]2CCCC[C@H]2C1 ZINC000336524953 365596139 /nfs/dbraw/zinc/59/61/39/365596139.db2.gz ZUTJLQOSNIOCPE-HOTGVXAUSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCCC[C@H]1CCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000336524953 365596140 /nfs/dbraw/zinc/59/61/40/365596140.db2.gz ZUTJLQOSNIOCPE-HOTGVXAUSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCCC[C@H]1CCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000336524953 365596145 /nfs/dbraw/zinc/59/61/45/365596145.db2.gz ZUTJLQOSNIOCPE-HOTGVXAUSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000449123095 282109020 /nfs/dbraw/zinc/10/90/20/282109020.db2.gz MPDUKBTZJKHRTC-ZFWWWQNUSA-N 2 1 295.471 2.144 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2OC(F)F)CC1 ZINC000337528595 214139084 /nfs/dbraw/zinc/13/90/84/214139084.db2.gz BYLTZBAOMZKMLT-NWDGAFQWSA-N 2 1 262.344 2.221 20 0 CEADMP C[C@H](Cc1ccoc1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000449131296 282112010 /nfs/dbraw/zinc/11/20/10/282112010.db2.gz LPOLCAVMPPYRJT-OAHLLOKOSA-N 2 1 293.455 2.074 20 0 CEADMP Cn1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000121772955 365613708 /nfs/dbraw/zinc/61/37/08/365613708.db2.gz IWQPHTNDMKEFEW-UHFFFAOYSA-N 2 1 272.396 2.213 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000125198080 365668245 /nfs/dbraw/zinc/66/82/45/365668245.db2.gz CFKMYFGWFWOGCX-CVEARBPZSA-N 2 1 265.445 2.031 20 0 CEADMP COc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000125102380 187170052 /nfs/dbraw/zinc/17/00/52/187170052.db2.gz FPYPZPHOOMXEMW-CPUCHLNUSA-N 2 1 292.423 2.392 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1CO ZINC000621369234 349582256 /nfs/dbraw/zinc/58/22/56/349582256.db2.gz KDEXFOHCTYBCES-ZBFHGGJFSA-N 2 1 285.391 2.323 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000621376828 349586743 /nfs/dbraw/zinc/58/67/43/349586743.db2.gz KKSNDSXOSFIIKU-LLVKDONJSA-N 2 1 255.312 2.283 20 0 CEADMP C[C@H](CCc1ccc(O)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC000037118214 361898403 /nfs/dbraw/zinc/89/84/03/361898403.db2.gz YMLPBSQKLBOANO-CYBMUJFWSA-N 2 1 262.397 2.397 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@](C)([NH3+])CCC)CC1 ZINC000037825996 361951479 /nfs/dbraw/zinc/95/14/79/361951479.db2.gz LUEOXRWFLSQWCS-KRWDZBQOSA-N 2 1 297.487 2.474 20 0 CEADMP CCc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000037981981 361971385 /nfs/dbraw/zinc/97/13/85/361971385.db2.gz VHPAUFUWHDZRIR-YOEHRIQHSA-N 2 1 276.424 2.356 20 0 CEADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)C1CCOCC1 ZINC000338012937 214360068 /nfs/dbraw/zinc/36/00/68/214360068.db2.gz BYQBYDUNSCEMFB-HNNXBMFYSA-N 2 1 265.401 2.376 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000338012915 214361118 /nfs/dbraw/zinc/36/11/18/214361118.db2.gz PFZARVQWRJIARA-GJZGRUSLSA-N 2 1 265.401 2.376 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621642564 349650496 /nfs/dbraw/zinc/65/04/96/349650496.db2.gz QIRVWJXGKJPCBY-PMPSAXMXSA-N 2 1 295.471 2.003 20 0 CEADMP COc1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1O ZINC000089727548 539177487 /nfs/dbraw/zinc/17/74/87/539177487.db2.gz YERLILUYDXHVLA-HUUCEWRRSA-N 2 1 290.407 2.160 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN(C)c1ccccc1 ZINC000125882096 365690383 /nfs/dbraw/zinc/69/03/83/365690383.db2.gz KLZZXOHISBVXLY-HOCLYGCPSA-N 2 1 261.413 2.053 20 0 CEADMP CCCOc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000090320552 539182218 /nfs/dbraw/zinc/18/22/18/539182218.db2.gz YNMQFAAZZXESLL-HUUCEWRRSA-N 2 1 260.381 2.127 20 0 CEADMP C[N@@H+](CCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000449320947 282186783 /nfs/dbraw/zinc/18/67/83/282186783.db2.gz QEILPHHXSNIBNH-HOCLYGCPSA-N 2 1 295.471 2.275 20 0 CEADMP O[C@]1(C2CC2)CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668558810 539198346 /nfs/dbraw/zinc/19/83/46/539198346.db2.gz VINWNYCPWOUDJS-QGZVFWFLSA-N 2 1 298.390 2.004 20 0 CEADMP C[N@H+](Cc1cccc2nccn21)CC1=CCCOC1 ZINC000668568311 539200515 /nfs/dbraw/zinc/20/05/15/539200515.db2.gz AZYGYEDKRLZYCS-UHFFFAOYSA-N 2 1 257.337 2.113 20 0 CEADMP CN(Cc1cccc2nccn21)CC1=CCCOC1 ZINC000668568311 539200516 /nfs/dbraw/zinc/20/05/16/539200516.db2.gz AZYGYEDKRLZYCS-UHFFFAOYSA-N 2 1 257.337 2.113 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000621783011 349701741 /nfs/dbraw/zinc/70/17/41/349701741.db2.gz WCBPKLFYLIRRQE-DOTOQJQBSA-N 2 1 282.391 2.186 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000621783011 349701746 /nfs/dbraw/zinc/70/17/46/349701746.db2.gz WCBPKLFYLIRRQE-DOTOQJQBSA-N 2 1 282.391 2.186 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)[C@H]2CCC[C@@H]21 ZINC000621768548 349696348 /nfs/dbraw/zinc/69/63/48/349696348.db2.gz RBJCFDVAIXWXGP-NDBYEHHHSA-N 2 1 258.356 2.494 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC000621775201 349698053 /nfs/dbraw/zinc/69/80/53/349698053.db2.gz IQPBLFFVAPCXBE-CABCVRRESA-N 2 1 295.814 2.063 20 0 CEADMP COC[C@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC000126069912 187215137 /nfs/dbraw/zinc/21/51/37/187215137.db2.gz JMXZADSUEANEHQ-LSDHHAIUSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)C(C)(C)C ZINC000668739021 539254626 /nfs/dbraw/zinc/25/46/26/539254626.db2.gz IPGFBBMJTSCIET-DZGCQCFKSA-N 2 1 268.445 2.200 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000312067506 282209453 /nfs/dbraw/zinc/20/94/53/282209453.db2.gz LQODKCIFUVKVGS-AWEZNQCLSA-N 2 1 263.385 2.130 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCOCC1 ZINC000449385178 282209576 /nfs/dbraw/zinc/20/95/76/282209576.db2.gz PJBURLOLFFUEPF-HNNXBMFYSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCC[NH+]1CCCC1(C)C ZINC000622097311 349788701 /nfs/dbraw/zinc/78/87/01/349788701.db2.gz UZIRBWVVDFQVBH-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000622097311 349788703 /nfs/dbraw/zinc/78/87/03/349788703.db2.gz UZIRBWVVDFQVBH-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)NCC[N@H+]1CCCC1(C)C ZINC000622097311 349788706 /nfs/dbraw/zinc/78/87/06/349788706.db2.gz UZIRBWVVDFQVBH-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2ccccc2Br)C1 ZINC000042435547 362095328 /nfs/dbraw/zinc/09/53/28/362095328.db2.gz VFWWJNYGBDMQTF-JTQLQIEISA-N 2 1 269.186 2.230 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2Br)C1 ZINC000042435547 362095333 /nfs/dbraw/zinc/09/53/33/362095333.db2.gz VFWWJNYGBDMQTF-JTQLQIEISA-N 2 1 269.186 2.230 20 0 CEADMP CO[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000322901814 539297600 /nfs/dbraw/zinc/29/76/00/539297600.db2.gz HKLGBOKQAFPFSR-MNFFZHCASA-N 2 1 252.402 2.159 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000273159276 192061756 /nfs/dbraw/zinc/06/17/56/192061756.db2.gz ZACUCSZTRZKPTE-GJZGRUSLSA-N 2 1 282.815 2.447 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000273159276 192061758 /nfs/dbraw/zinc/06/17/58/192061758.db2.gz ZACUCSZTRZKPTE-GJZGRUSLSA-N 2 1 282.815 2.447 20 0 CEADMP C[C@H](O)CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000045619950 362163055 /nfs/dbraw/zinc/16/30/55/362163055.db2.gz LZZLXRIXHXNOFQ-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000262035668 282248841 /nfs/dbraw/zinc/24/88/41/282248841.db2.gz XQCZZIGWTHTAHL-MLGOLLRUSA-N 2 1 299.422 2.053 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000262035668 282248843 /nfs/dbraw/zinc/24/88/43/282248843.db2.gz XQCZZIGWTHTAHL-MLGOLLRUSA-N 2 1 299.422 2.053 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000336292205 282256301 /nfs/dbraw/zinc/25/63/01/282256301.db2.gz MHAXQLRJAUFPMI-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000333243071 539322445 /nfs/dbraw/zinc/32/24/45/539322445.db2.gz FGHZQFUMLFHGLE-DGADGQDISA-N 2 1 265.445 2.157 20 0 CEADMP C[N@@H+](CCC1CCOCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000336702765 365768292 /nfs/dbraw/zinc/76/82/92/365768292.db2.gz IDYGTMBTALWIOE-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000126829693 187265122 /nfs/dbraw/zinc/26/51/22/187265122.db2.gz PPAGVTLPPLCQSV-HOCLYGCPSA-N 2 1 290.455 2.358 20 0 CEADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000126829693 187265124 /nfs/dbraw/zinc/26/51/24/187265124.db2.gz PPAGVTLPPLCQSV-HOCLYGCPSA-N 2 1 290.455 2.358 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC2CC2)C[C@@H]1C ZINC000336712527 365775522 /nfs/dbraw/zinc/77/55/22/365775522.db2.gz OPVUYYIYQAXGKE-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC2CC2)C[C@@H]1C ZINC000336712527 365775526 /nfs/dbraw/zinc/77/55/26/365775526.db2.gz OPVUYYIYQAXGKE-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC2CC2)C[C@@H]1C ZINC000336712527 365775530 /nfs/dbraw/zinc/77/55/30/365775530.db2.gz OPVUYYIYQAXGKE-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCCO2)C[C@H]1C ZINC000336721080 365784171 /nfs/dbraw/zinc/78/41/71/365784171.db2.gz XJGHFZSETUMPIH-ILXRZTDVSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCCO2)C[C@H]1C ZINC000336721080 365784180 /nfs/dbraw/zinc/78/41/80/365784180.db2.gz XJGHFZSETUMPIH-ILXRZTDVSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCCO2)C[C@H]1C ZINC000336721080 365784187 /nfs/dbraw/zinc/78/41/87/365784187.db2.gz XJGHFZSETUMPIH-ILXRZTDVSA-N 2 1 254.418 2.360 20 0 CEADMP COCC[C@@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000128221948 365780756 /nfs/dbraw/zinc/78/07/56/365780756.db2.gz WZBZKHXAROKMAO-CQSZACIVSA-N 2 1 277.412 2.373 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351472552 219099670 /nfs/dbraw/zinc/09/96/70/219099670.db2.gz BBHGGLHMQGYJTH-MJBXVCDLSA-N 2 1 282.391 2.107 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)C[C@H]12 ZINC000351486800 219102284 /nfs/dbraw/zinc/10/22/84/219102284.db2.gz BDTHSJNWPGAFSI-VHDGCEQUSA-N 2 1 283.375 2.110 20 0 CEADMP COc1ccc(OC)c(C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000069753991 343790681 /nfs/dbraw/zinc/79/06/81/343790681.db2.gz FEMBGQIVEKGOCH-UHFFFAOYSA-N 2 1 289.379 2.389 20 0 CEADMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000069753972 343790977 /nfs/dbraw/zinc/79/09/77/343790977.db2.gz NEWHAEZELFUGJV-UHFFFAOYSA-N 2 1 259.353 2.380 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC(C)C)C[C@@H]1C ZINC000336783913 365799123 /nfs/dbraw/zinc/79/91/23/365799123.db2.gz JAJFTBKOQOEVBY-LSDHHAIUSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC(C)C)C[C@@H]1C ZINC000336783913 365799124 /nfs/dbraw/zinc/79/91/24/365799124.db2.gz JAJFTBKOQOEVBY-LSDHHAIUSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC(C)C)C[C@@H]1C ZINC000336783913 365799129 /nfs/dbraw/zinc/79/91/29/365799129.db2.gz JAJFTBKOQOEVBY-LSDHHAIUSA-N 2 1 256.434 2.464 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3ccncc3)C2)C1 ZINC000292894730 539374345 /nfs/dbraw/zinc/37/43/45/539374345.db2.gz GCTIKMCQEUUJHO-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3ccncc3)C2)C1 ZINC000292894730 539374352 /nfs/dbraw/zinc/37/43/52/539374352.db2.gz GCTIKMCQEUUJHO-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3ccncc3)C2)C1 ZINC000292894730 539374357 /nfs/dbraw/zinc/37/43/57/539374357.db2.gz GCTIKMCQEUUJHO-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP CCCCNC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835714 343868689 /nfs/dbraw/zinc/86/86/89/343868689.db2.gz BURRQVHCKNNDDJ-MRXNPFEDSA-N 2 1 295.471 2.101 20 0 CEADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000075836601 343868853 /nfs/dbraw/zinc/86/88/53/343868853.db2.gz RQZVWTGHIFVTNF-KRWDZBQOSA-N 2 1 290.455 2.308 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000075836601 343868854 /nfs/dbraw/zinc/86/88/54/343868854.db2.gz RQZVWTGHIFVTNF-KRWDZBQOSA-N 2 1 290.455 2.308 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@](C)(CC)C2)CC1 ZINC000075999172 343875544 /nfs/dbraw/zinc/87/55/44/343875544.db2.gz QKXCXSHMUOEZNK-KRWDZBQOSA-N 2 1 295.471 2.099 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)CC[NH+]1CCCCC1 ZINC000173958093 529931587 /nfs/dbraw/zinc/93/15/87/529931587.db2.gz BMGFRBCBQVCCOJ-MRXNPFEDSA-N 2 1 267.461 2.279 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449640215 282315349 /nfs/dbraw/zinc/31/53/49/282315349.db2.gz APXDPDCWOXXUDO-ZIAGYGMSSA-N 2 1 292.427 2.030 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000078539016 343956672 /nfs/dbraw/zinc/95/66/72/343956672.db2.gz AHHXMDIRUQPQGA-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@@H](NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000078998928 343969194 /nfs/dbraw/zinc/96/91/94/343969194.db2.gz BOXJOXLHGWWMGF-GOSISDBHSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H](NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000078998928 343969197 /nfs/dbraw/zinc/96/91/97/343969197.db2.gz BOXJOXLHGWWMGF-GOSISDBHSA-N 2 1 299.462 2.477 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000127137478 187285390 /nfs/dbraw/zinc/28/53/90/187285390.db2.gz PFURPOVCVCKHQY-UHFFFAOYSA-N 2 1 288.338 2.338 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000127137478 187285392 /nfs/dbraw/zinc/28/53/92/187285392.db2.gz PFURPOVCVCKHQY-UHFFFAOYSA-N 2 1 288.338 2.338 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(C)cc1 ZINC000351574515 219131957 /nfs/dbraw/zinc/13/19/57/219131957.db2.gz OXHLJGFDYKKDDT-IRXDYDNUSA-N 2 1 276.424 2.491 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(C)cc1 ZINC000351574515 219131960 /nfs/dbraw/zinc/13/19/60/219131960.db2.gz OXHLJGFDYKKDDT-IRXDYDNUSA-N 2 1 276.424 2.491 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000105476993 344256841 /nfs/dbraw/zinc/25/68/41/344256841.db2.gz VSOAGVSZAOFQAL-UHFFFAOYSA-N 2 1 297.393 2.082 20 0 CEADMP CCCC[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000107801360 344261700 /nfs/dbraw/zinc/26/17/00/344261700.db2.gz LSRQXKBHYQNZQQ-UHFFFAOYSA-N 2 1 275.440 2.324 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)cc12 ZINC000351590562 219136950 /nfs/dbraw/zinc/13/69/50/219136950.db2.gz WWTLTIAUUBGQOU-ZDUSSCGKSA-N 2 1 287.411 2.040 20 0 CEADMP Cc1[nH]nc2ncc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)cc12 ZINC000351590562 219136952 /nfs/dbraw/zinc/13/69/52/219136952.db2.gz WWTLTIAUUBGQOU-ZDUSSCGKSA-N 2 1 287.411 2.040 20 0 CEADMP Cc1[nH]nc2ncc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)cc12 ZINC000351590562 219136954 /nfs/dbraw/zinc/13/69/54/219136954.db2.gz WWTLTIAUUBGQOU-ZDUSSCGKSA-N 2 1 287.411 2.040 20 0 CEADMP Cc1[nH]nc2ncc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)cc12 ZINC000351590562 219136955 /nfs/dbraw/zinc/13/69/55/219136955.db2.gz WWTLTIAUUBGQOU-ZDUSSCGKSA-N 2 1 287.411 2.040 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCOc1ccc(F)cc1 ZINC000124503214 344314717 /nfs/dbraw/zinc/31/47/17/344314717.db2.gz SUIMWXUBWTZOCT-GXTWGEPZSA-N 2 1 266.360 2.406 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccccc1F ZINC000124509469 344314789 /nfs/dbraw/zinc/31/47/89/344314789.db2.gz IZNXBYXIGXUCHG-NWDGAFQWSA-N 2 1 252.333 2.016 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccccc1F ZINC000124509469 344314791 /nfs/dbraw/zinc/31/47/91/344314791.db2.gz IZNXBYXIGXUCHG-NWDGAFQWSA-N 2 1 252.333 2.016 20 0 CEADMP C([C@@H]1CCCO1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157512356 344446868 /nfs/dbraw/zinc/44/68/68/344446868.db2.gz QNUYEFDJMUPGAZ-GJZGRUSLSA-N 2 1 252.402 2.116 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1cc(Br)cc2c1OCC2 ZINC000228469439 344560356 /nfs/dbraw/zinc/56/03/56/344560356.db2.gz VKKCVSLIKZQGBQ-UHFFFAOYSA-N 2 1 299.212 2.165 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cc(Br)cc2c1OCC2 ZINC000228469439 344560359 /nfs/dbraw/zinc/56/03/59/344560359.db2.gz VKKCVSLIKZQGBQ-UHFFFAOYSA-N 2 1 299.212 2.165 20 0 CEADMP Cn1nccc1-c1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000351602644 219141147 /nfs/dbraw/zinc/14/11/47/219141147.db2.gz PLRUKDLLFLNPKJ-HNNXBMFYSA-N 2 1 298.434 2.471 20 0 CEADMP C(CN1CCC([NH+]2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000051919102 362448885 /nfs/dbraw/zinc/44/88/85/362448885.db2.gz AJOHKCHSOUFKOQ-MRXNPFEDSA-N 2 1 279.472 2.326 20 0 CEADMP COC(=O)c1csc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000602510756 347061992 /nfs/dbraw/zinc/06/19/92/347061992.db2.gz NGJSIYKKLYFYOR-LLVKDONJSA-N 2 1 294.420 2.109 20 0 CEADMP COC(=O)c1csc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000602510756 347061994 /nfs/dbraw/zinc/06/19/94/347061994.db2.gz NGJSIYKKLYFYOR-LLVKDONJSA-N 2 1 294.420 2.109 20 0 CEADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCCO1 ZINC000351600275 219142717 /nfs/dbraw/zinc/14/27/17/219142717.db2.gz XUIIESHDPWNUQI-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCCO1 ZINC000351600275 219142719 /nfs/dbraw/zinc/14/27/19/219142719.db2.gz XUIIESHDPWNUQI-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCCO1 ZINC000351600275 219142720 /nfs/dbraw/zinc/14/27/20/219142720.db2.gz XUIIESHDPWNUQI-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1)O[C@@H](C)C2 ZINC000252770702 344641702 /nfs/dbraw/zinc/64/17/02/344641702.db2.gz IBSRARFEPXUZJF-AVGNSLFASA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)O[C@@H](C)C2 ZINC000252770702 344641704 /nfs/dbraw/zinc/64/17/04/344641704.db2.gz IBSRARFEPXUZJF-AVGNSLFASA-N 2 1 290.407 2.188 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000307982683 344725616 /nfs/dbraw/zinc/72/56/16/344725616.db2.gz NXUXPQXPBIVFLF-CABCVRRESA-N 2 1 276.428 2.236 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000307982683 344725619 /nfs/dbraw/zinc/72/56/19/344725619.db2.gz NXUXPQXPBIVFLF-CABCVRRESA-N 2 1 276.428 2.236 20 0 CEADMP CCOC(=O)C1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000313803725 344743481 /nfs/dbraw/zinc/74/34/81/344743481.db2.gz NOAIXTINKFIIJH-UHFFFAOYSA-N 2 1 294.439 2.325 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]Cc1cccc2ccccc21)C1CC1 ZINC000314147979 344744627 /nfs/dbraw/zinc/74/46/27/344744627.db2.gz IOAYQQVOTHNPEP-QGZVFWFLSA-N 2 1 284.403 2.385 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]Cc1cccc2ccccc21)C1CC1 ZINC000314147979 344744629 /nfs/dbraw/zinc/74/46/29/344744629.db2.gz IOAYQQVOTHNPEP-QGZVFWFLSA-N 2 1 284.403 2.385 20 0 CEADMP CCC1(CC)C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CCS1 ZINC000351605778 219144703 /nfs/dbraw/zinc/14/47/03/219144703.db2.gz RHLXZBJNZVHIMS-CQSZACIVSA-N 2 1 286.485 2.049 20 0 CEADMP CCC1(CC)C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CCS1 ZINC000351605778 219144705 /nfs/dbraw/zinc/14/47/05/219144705.db2.gz RHLXZBJNZVHIMS-CQSZACIVSA-N 2 1 286.485 2.049 20 0 CEADMP CCC1(CC)C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CCS1 ZINC000351605778 219144706 /nfs/dbraw/zinc/14/47/06/219144706.db2.gz RHLXZBJNZVHIMS-CQSZACIVSA-N 2 1 286.485 2.049 20 0 CEADMP CCC1(CC)C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CCS1 ZINC000351605778 219144708 /nfs/dbraw/zinc/14/47/08/219144708.db2.gz RHLXZBJNZVHIMS-CQSZACIVSA-N 2 1 286.485 2.049 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1csc2ccccc12 ZINC000568050123 299113708 /nfs/dbraw/zinc/11/37/08/299113708.db2.gz LQTFDGMDJPUALQ-OAHLLOKOSA-N 2 1 278.421 2.304 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1csc2ccccc12 ZINC000568050123 299113711 /nfs/dbraw/zinc/11/37/11/299113711.db2.gz LQTFDGMDJPUALQ-OAHLLOKOSA-N 2 1 278.421 2.304 20 0 CEADMP Cc1noc([C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000351616221 219147182 /nfs/dbraw/zinc/14/71/82/219147182.db2.gz RHBQDRCRIYMCMU-CABCVRRESA-N 2 1 292.427 2.432 20 0 CEADMP Cc1noc([C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000351616221 219147184 /nfs/dbraw/zinc/14/71/84/219147184.db2.gz RHBQDRCRIYMCMU-CABCVRRESA-N 2 1 292.427 2.432 20 0 CEADMP Cc1noc([C@@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000351616221 219147185 /nfs/dbraw/zinc/14/71/85/219147185.db2.gz RHBQDRCRIYMCMU-CABCVRRESA-N 2 1 292.427 2.432 20 0 CEADMP Cc1noc([C@@H]2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000351616221 219147186 /nfs/dbraw/zinc/14/71/86/219147186.db2.gz RHBQDRCRIYMCMU-CABCVRRESA-N 2 1 292.427 2.432 20 0 CEADMP COCC[N@H+](CCCc1c[nH+]cn1C)[C@H]1CC[C@@H](C)C1 ZINC000584662535 344974813 /nfs/dbraw/zinc/97/48/13/344974813.db2.gz BMZFKRIXKIDTHR-CABCVRRESA-N 2 1 279.428 2.490 20 0 CEADMP COCC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CC[C@@H](C)C1 ZINC000584662535 344974815 /nfs/dbraw/zinc/97/48/15/344974815.db2.gz BMZFKRIXKIDTHR-CABCVRRESA-N 2 1 279.428 2.490 20 0 CEADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000584767784 344984353 /nfs/dbraw/zinc/98/43/53/344984353.db2.gz IKHIFQLKJBDIAS-IUODEOHRSA-N 2 1 293.386 2.275 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(C2CC2)cnn1C ZINC000668166923 539432523 /nfs/dbraw/zinc/43/25/23/539432523.db2.gz MFZIJZBAERIQRI-UHFFFAOYSA-N 2 1 287.411 2.325 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(C2CC2)cnn1C ZINC000668166923 539432527 /nfs/dbraw/zinc/43/25/27/539432527.db2.gz MFZIJZBAERIQRI-UHFFFAOYSA-N 2 1 287.411 2.325 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2ccco2)CC1 ZINC000351632415 219153972 /nfs/dbraw/zinc/15/39/72/219153972.db2.gz JJNYDEOBNCYAKD-MRXNPFEDSA-N 2 1 291.439 2.272 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2ccco2)CC1 ZINC000351632415 219153974 /nfs/dbraw/zinc/15/39/74/219153974.db2.gz JJNYDEOBNCYAKD-MRXNPFEDSA-N 2 1 291.439 2.272 20 0 CEADMP CCS[C@@H]1CCCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000590603067 345151374 /nfs/dbraw/zinc/15/13/74/345151374.db2.gz PYTYWQIUIXZFGF-LSDHHAIUSA-N 2 1 288.501 2.295 20 0 CEADMP CCS[C@@H]1CCCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000590603067 345151375 /nfs/dbraw/zinc/15/13/75/345151375.db2.gz PYTYWQIUIXZFGF-LSDHHAIUSA-N 2 1 288.501 2.295 20 0 CEADMP CCS[C@@H]1CCCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000590603067 345151378 /nfs/dbraw/zinc/15/13/78/345151378.db2.gz PYTYWQIUIXZFGF-LSDHHAIUSA-N 2 1 288.501 2.295 20 0 CEADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000591272421 345236944 /nfs/dbraw/zinc/23/69/44/345236944.db2.gz JUDJBNOUEPPEEV-JYJNAYRXSA-N 2 1 296.455 2.430 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)[C@@H]1SC ZINC000592376599 345347609 /nfs/dbraw/zinc/34/76/09/345347609.db2.gz BMJRCGZLPAGAML-YUELXQCFSA-N 2 1 295.452 2.146 20 0 CEADMP C[NH2+]C1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000229247516 539459427 /nfs/dbraw/zinc/45/94/27/539459427.db2.gz JHJLESFWTITFLZ-CQSZACIVSA-N 2 1 252.402 2.162 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478940 345358761 /nfs/dbraw/zinc/35/87/61/345358761.db2.gz MRHXOGYKOBSSNN-CABCVRRESA-N 2 1 282.428 2.184 20 0 CEADMP COC(=O)CC1(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000592491893 345360091 /nfs/dbraw/zinc/36/00/91/345360091.db2.gz PVYRGMOEENETMK-GJZGRUSLSA-N 2 1 294.439 2.041 20 0 CEADMP CC[C@H](C)[N@@H+](CCCC1CC[NH2+]CC1)CC(=O)OC ZINC000592493515 345360200 /nfs/dbraw/zinc/36/02/00/345360200.db2.gz RTPQWFATYRPNSK-ZDUSSCGKSA-N 2 1 270.417 2.040 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)CC[C@@H]1[NH3+] ZINC000229248954 539460819 /nfs/dbraw/zinc/46/08/19/539460819.db2.gz KRSFYHJHNWNWJX-RDBSUJKOSA-N 2 1 252.402 2.147 20 0 CEADMP COc1ccccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000096268648 232185689 /nfs/dbraw/zinc/18/56/89/232185689.db2.gz SNWOFTYZIAFRJJ-INIZCTEOSA-N 2 1 260.381 2.223 20 0 CEADMP COc1ccccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000096268648 232185690 /nfs/dbraw/zinc/18/56/90/232185690.db2.gz SNWOFTYZIAFRJJ-INIZCTEOSA-N 2 1 260.381 2.223 20 0 CEADMP COc1ccccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000096268648 232185692 /nfs/dbraw/zinc/18/56/92/232185692.db2.gz SNWOFTYZIAFRJJ-INIZCTEOSA-N 2 1 260.381 2.223 20 0 CEADMP COc1ccccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000096268648 232185694 /nfs/dbraw/zinc/18/56/94/232185694.db2.gz SNWOFTYZIAFRJJ-INIZCTEOSA-N 2 1 260.381 2.223 20 0 CEADMP CC[NH+](Cc1ccc(C)cc1)C[C@@H](O)C[N@@H+](C)CC ZINC000568169562 299119952 /nfs/dbraw/zinc/11/99/52/299119952.db2.gz NQMWYJWUHYSKSO-INIZCTEOSA-N 2 1 264.413 2.130 20 0 CEADMP CC[NH+](Cc1ccc(C)cc1)C[C@@H](O)C[N@H+](C)CC ZINC000568169562 299119955 /nfs/dbraw/zinc/11/99/55/299119955.db2.gz NQMWYJWUHYSKSO-INIZCTEOSA-N 2 1 264.413 2.130 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)Cc1ccc(C)cc1 ZINC000568169562 299119958 /nfs/dbraw/zinc/11/99/58/299119958.db2.gz NQMWYJWUHYSKSO-INIZCTEOSA-N 2 1 264.413 2.130 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)Cc1ccc(C)cc1 ZINC000568169562 299119960 /nfs/dbraw/zinc/11/99/60/299119960.db2.gz NQMWYJWUHYSKSO-INIZCTEOSA-N 2 1 264.413 2.130 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000336786923 365805461 /nfs/dbraw/zinc/80/54/61/365805461.db2.gz JSXMYDUJZLMBGB-HNNXBMFYSA-N 2 1 254.418 2.254 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C(=O)OC)oc2C)C1 ZINC000594611685 345661877 /nfs/dbraw/zinc/66/18/77/345661877.db2.gz HPTJMTZBQRFSID-CYBMUJFWSA-N 2 1 294.395 2.196 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C(=O)OC)oc2C)C1 ZINC000594611685 345661879 /nfs/dbraw/zinc/66/18/79/345661879.db2.gz HPTJMTZBQRFSID-CYBMUJFWSA-N 2 1 294.395 2.196 20 0 CEADMP CC(C)OC(=O)C[C@H]([NH2+]C1CC[NH+](C)CC1)C(C)C ZINC000594626130 345663608 /nfs/dbraw/zinc/66/36/08/345663608.db2.gz WBOMAJFOKBBQMD-AWEZNQCLSA-N 2 1 270.417 2.037 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000594917073 345700765 /nfs/dbraw/zinc/70/07/65/345700765.db2.gz GTXHJGQIFDGPNG-ZTYXSZCMSA-N 2 1 296.455 2.140 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000594917073 345700767 /nfs/dbraw/zinc/70/07/67/345700767.db2.gz GTXHJGQIFDGPNG-ZTYXSZCMSA-N 2 1 296.455 2.140 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000594917862 345701321 /nfs/dbraw/zinc/70/13/21/345701321.db2.gz KZOIIOXJCPPJSF-GBJTYRQASA-N 2 1 282.428 2.038 20 0 CEADMP C[C@H](CSCCF)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000595014753 345727401 /nfs/dbraw/zinc/72/74/01/345727401.db2.gz TTYHTSREQXVUOT-JHJVBQTASA-N 2 1 260.422 2.294 20 0 CEADMP C[C@H](CSCCF)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000595014753 345727404 /nfs/dbraw/zinc/72/74/04/345727404.db2.gz TTYHTSREQXVUOT-JHJVBQTASA-N 2 1 260.422 2.294 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CSCCF)C1 ZINC000597130490 346132494 /nfs/dbraw/zinc/13/24/94/346132494.db2.gz RCOGXTIKUOOBMN-QWHCGFSZSA-N 2 1 262.438 2.398 20 0 CEADMP CCC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336788035 365808665 /nfs/dbraw/zinc/80/86/65/365808665.db2.gz GHNUUHZUACCKKS-GJZGRUSLSA-N 2 1 254.418 2.096 20 0 CEADMP CCC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000336788035 365808670 /nfs/dbraw/zinc/80/86/70/365808670.db2.gz GHNUUHZUACCKKS-GJZGRUSLSA-N 2 1 254.418 2.096 20 0 CEADMP CCC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336788035 365808676 /nfs/dbraw/zinc/80/86/76/365808676.db2.gz GHNUUHZUACCKKS-GJZGRUSLSA-N 2 1 254.418 2.096 20 0 CEADMP CCC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336788035 365808680 /nfs/dbraw/zinc/80/86/80/365808680.db2.gz GHNUUHZUACCKKS-GJZGRUSLSA-N 2 1 254.418 2.096 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000127588097 187317980 /nfs/dbraw/zinc/31/79/80/187317980.db2.gz ZCWWYTWUNFTVHA-AWEZNQCLSA-N 2 1 282.403 2.487 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCCCC2)CCCO1 ZINC000061936293 362698391 /nfs/dbraw/zinc/69/83/91/362698391.db2.gz UNSVUOWJHAGIGZ-AWEZNQCLSA-N 2 1 254.418 2.410 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCCCC2)CCCO1 ZINC000061936293 362698396 /nfs/dbraw/zinc/69/83/96/362698396.db2.gz UNSVUOWJHAGIGZ-AWEZNQCLSA-N 2 1 254.418 2.410 20 0 CEADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000062014507 362701970 /nfs/dbraw/zinc/70/19/70/362701970.db2.gz GUFYTNYHPGJFMA-ZDUSSCGKSA-N 2 1 281.831 2.238 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@@]1(C)CCC[NH2+]C1)C1CCCCC1 ZINC000062857872 362726515 /nfs/dbraw/zinc/72/65/15/362726515.db2.gz OQPGIADFJXPNHZ-KRWDZBQOSA-N 2 1 295.471 2.147 20 0 CEADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000063165983 362754571 /nfs/dbraw/zinc/75/45/71/362754571.db2.gz LUGBJIPUDITFIJ-UHFFFAOYSA-N 2 1 289.423 2.173 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000063195137 362757812 /nfs/dbraw/zinc/75/78/12/362757812.db2.gz VPTPXVOZGADLOL-SWLSCSKDSA-N 2 1 293.386 2.356 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000063195137 362757819 /nfs/dbraw/zinc/75/78/19/362757819.db2.gz VPTPXVOZGADLOL-SWLSCSKDSA-N 2 1 293.386 2.356 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336800313 365827868 /nfs/dbraw/zinc/82/78/68/365827868.db2.gz LSELKWZXLFSLDV-CABCVRRESA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336800313 365827874 /nfs/dbraw/zinc/82/78/74/365827874.db2.gz LSELKWZXLFSLDV-CABCVRRESA-N 2 1 263.385 2.083 20 0 CEADMP C[C@H](O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000336805138 365838589 /nfs/dbraw/zinc/83/85/89/365838589.db2.gz SYEPCKLVJGTWIS-OWCLPIDISA-N 2 1 268.445 2.344 20 0 CEADMP C[C@H](O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000336805138 365838595 /nfs/dbraw/zinc/83/85/95/365838595.db2.gz SYEPCKLVJGTWIS-OWCLPIDISA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)(C)[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000336807013 365841862 /nfs/dbraw/zinc/84/18/62/365841862.db2.gz FBIYUEJORYGQDT-CABCVRRESA-N 2 1 268.445 2.201 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCO1 ZINC000459442977 290150476 /nfs/dbraw/zinc/15/04/76/290150476.db2.gz ATURNEFITZMEJY-GJZGRUSLSA-N 2 1 252.402 2.160 20 0 CEADMP CCC[NH+](CCC)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000600992587 346728148 /nfs/dbraw/zinc/72/81/48/346728148.db2.gz OVAIVBJGQXEXLG-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC000336815099 365857048 /nfs/dbraw/zinc/85/70/48/365857048.db2.gz HBLASOXCTBBNOF-GOOCMWNKSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CCOCC2)[C@H](C)C1 ZINC000336815721 365858190 /nfs/dbraw/zinc/85/81/90/365858190.db2.gz ITJVIXAXEMJLIC-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2CCOCC2)[C@H](C)C1 ZINC000336815721 365858191 /nfs/dbraw/zinc/85/81/91/365858191.db2.gz ITJVIXAXEMJLIC-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2CCOCC2)[C@H](C)C1 ZINC000336815721 365858193 /nfs/dbraw/zinc/85/81/93/365858193.db2.gz ITJVIXAXEMJLIC-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@@H](CCO)C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000459472353 290158140 /nfs/dbraw/zinc/15/81/40/290158140.db2.gz WBIJAPUVKXEFKW-AWEZNQCLSA-N 2 1 280.456 2.392 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC000336823887 365878695 /nfs/dbraw/zinc/87/86/95/365878695.db2.gz RUJDEKITERBASV-UHFFFAOYSA-N 2 1 276.428 2.339 20 0 CEADMP FC(F)C(F)(F)COCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459512829 290168566 /nfs/dbraw/zinc/16/85/66/290168566.db2.gz ROVGHKNWZAXEPL-UHFFFAOYSA-N 2 1 298.324 2.120 20 0 CEADMP CC(C)c1[nH+]c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c2ccccn21 ZINC000568520349 299142322 /nfs/dbraw/zinc/14/23/22/299142322.db2.gz WOWSUIZTQJLMPU-GASCZTMLSA-N 2 1 298.434 2.451 20 0 CEADMP CC(C)c1[nH+]c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c2ccccn21 ZINC000568520349 299142325 /nfs/dbraw/zinc/14/23/25/299142325.db2.gz WOWSUIZTQJLMPU-GASCZTMLSA-N 2 1 298.434 2.451 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCOc3ccc(F)cc3)C[C@@H]12 ZINC000336834431 365902525 /nfs/dbraw/zinc/90/25/25/365902525.db2.gz RHXZYADWPPXTKG-APHBMKBZSA-N 2 1 278.371 2.264 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000351860176 219227965 /nfs/dbraw/zinc/22/79/65/219227965.db2.gz HTDDYNMMGMTXRG-DZGCQCFKSA-N 2 1 262.397 2.297 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@H+](C)C[C@@H]2C(C)C)c1C ZINC000336840512 365911757 /nfs/dbraw/zinc/91/17/57/365911757.db2.gz MLGYGGJFVCKHEN-MRXNPFEDSA-N 2 1 291.439 2.479 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)C[C@@H]2C(C)C)c1C ZINC000336840512 365911765 /nfs/dbraw/zinc/91/17/65/365911765.db2.gz MLGYGGJFVCKHEN-MRXNPFEDSA-N 2 1 291.439 2.479 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000351860179 219228448 /nfs/dbraw/zinc/22/84/48/219228448.db2.gz HTDDYNMMGMTXRG-ZFWWWQNUSA-N 2 1 262.397 2.297 20 0 CEADMP C[C@@H]1C[C@H](Nc2cc(CSCCO)ccn2)CC[N@H+]1C ZINC000611477216 347783403 /nfs/dbraw/zinc/78/34/03/347783403.db2.gz HDTZNWBDLBWMAL-TZMCWYRMSA-N 2 1 295.452 2.202 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H](C)c1nccs1)N1CC[NH+](C)CC1 ZINC000086510237 179304021 /nfs/dbraw/zinc/30/40/21/179304021.db2.gz SJGNLUAXDIXYMS-KGLIPLIRSA-N 2 1 296.484 2.066 20 0 CEADMP [NH3+]C1CC[NH+](CCCc2nc(C3CCCCC3)no2)CC1 ZINC000339362247 215120921 /nfs/dbraw/zinc/12/09/21/215120921.db2.gz XWJJLFSVGPYKFA-UHFFFAOYSA-N 2 1 292.427 2.473 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC1(C)C ZINC000623338643 349991420 /nfs/dbraw/zinc/99/14/20/349991420.db2.gz KAEWDSCJJCSYBX-CQSZACIVSA-N 2 1 290.407 2.420 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC1(C)C ZINC000623338643 349991422 /nfs/dbraw/zinc/99/14/22/349991422.db2.gz KAEWDSCJJCSYBX-CQSZACIVSA-N 2 1 290.407 2.420 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339065939 539659505 /nfs/dbraw/zinc/65/95/05/539659505.db2.gz FRKIXRIOMIMHIF-ARFHVFGLSA-N 2 1 265.445 2.077 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339065939 539659510 /nfs/dbraw/zinc/65/95/10/539659510.db2.gz FRKIXRIOMIMHIF-ARFHVFGLSA-N 2 1 265.445 2.077 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339065939 539659516 /nfs/dbraw/zinc/65/95/16/539659516.db2.gz FRKIXRIOMIMHIF-ARFHVFGLSA-N 2 1 265.445 2.077 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339065939 539659519 /nfs/dbraw/zinc/65/95/19/539659519.db2.gz FRKIXRIOMIMHIF-ARFHVFGLSA-N 2 1 265.445 2.077 20 0 CEADMP CCCC1(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCC1 ZINC000617506501 348718937 /nfs/dbraw/zinc/71/89/37/348718937.db2.gz PVDDTESLKGWWCP-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCCC1(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCC1 ZINC000617506501 348718938 /nfs/dbraw/zinc/71/89/38/348718938.db2.gz PVDDTESLKGWWCP-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339066135 539659680 /nfs/dbraw/zinc/65/96/80/539659680.db2.gz CHXYCYXKGJPAED-IRXDYDNUSA-N 3 1 279.472 2.325 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000339226639 539661869 /nfs/dbraw/zinc/66/18/69/539661869.db2.gz ISAMRTPPVCTIOQ-HNNXBMFYSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)NCC[C@H](C)[NH+](C)C)c1ccccc1 ZINC000617751766 348779651 /nfs/dbraw/zinc/77/96/51/348779651.db2.gz CJAGSQWTIJXZQF-GOEBONIOSA-N 2 1 291.439 2.136 20 0 CEADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)C1(CO)CCCC1 ZINC000459521092 539693460 /nfs/dbraw/zinc/69/34/60/539693460.db2.gz CZMXQWVBOARMII-OAHLLOKOSA-N 2 1 279.428 2.130 20 0 CEADMP CCOC1CC(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000352043231 219300511 /nfs/dbraw/zinc/30/05/11/219300511.db2.gz BIUOCAPFTOUJNR-WLYUNCDWSA-N 2 1 254.418 2.075 20 0 CEADMP CCOC1CC(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000352043231 219300512 /nfs/dbraw/zinc/30/05/12/219300512.db2.gz BIUOCAPFTOUJNR-WLYUNCDWSA-N 2 1 254.418 2.075 20 0 CEADMP CCOC1CC(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000352043231 219300514 /nfs/dbraw/zinc/30/05/14/219300514.db2.gz BIUOCAPFTOUJNR-WLYUNCDWSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623373104 350003176 /nfs/dbraw/zinc/00/31/76/350003176.db2.gz RXZZYTHMNPJMNJ-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623373104 350003178 /nfs/dbraw/zinc/00/31/78/350003178.db2.gz RXZZYTHMNPJMNJ-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623373104 350003180 /nfs/dbraw/zinc/00/31/80/350003180.db2.gz RXZZYTHMNPJMNJ-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623373104 350003182 /nfs/dbraw/zinc/00/31/82/350003182.db2.gz RXZZYTHMNPJMNJ-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623373104 350003184 /nfs/dbraw/zinc/00/31/84/350003184.db2.gz RXZZYTHMNPJMNJ-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623373104 350003186 /nfs/dbraw/zinc/00/31/86/350003186.db2.gz RXZZYTHMNPJMNJ-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623373104 350003188 /nfs/dbraw/zinc/00/31/88/350003188.db2.gz RXZZYTHMNPJMNJ-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP Cc1noc(C)c1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623376441 350003907 /nfs/dbraw/zinc/00/39/07/350003907.db2.gz UKNTYQISNJNCEF-GFCCVEGCSA-N 2 1 251.374 2.254 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2)CC1(C)C ZINC000623417932 350014954 /nfs/dbraw/zinc/01/49/54/350014954.db2.gz ZDAZOKPIPXSJAV-HNNXBMFYSA-N 2 1 289.423 2.478 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623472246 350027931 /nfs/dbraw/zinc/02/79/31/350027931.db2.gz JIHAOMYAXOQOFU-KBPBESRZSA-N 2 1 270.461 2.492 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCCO)CC1(C)C ZINC000623482411 350030872 /nfs/dbraw/zinc/03/08/72/350030872.db2.gz QJGZODAEAWJMPC-CYBMUJFWSA-N 2 1 256.434 2.248 20 0 CEADMP CC(C)[C@@H](O)C1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623484085 350031365 /nfs/dbraw/zinc/03/13/65/350031365.db2.gz CTDOYQMOSQNSPG-ZIAGYGMSSA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623645701 350073345 /nfs/dbraw/zinc/07/33/45/350073345.db2.gz KVRINOBAFFTFJP-KGLIPLIRSA-N 2 1 256.434 2.246 20 0 CEADMP Cn1nc(CNC[C@H]2CCCC[N@@H+](C)C2)c2ccccc21 ZINC000623655814 350075292 /nfs/dbraw/zinc/07/52/92/350075292.db2.gz GBZFRDFJZAPFCJ-CQSZACIVSA-N 2 1 286.423 2.395 20 0 CEADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623514338 350039300 /nfs/dbraw/zinc/03/93/00/350039300.db2.gz JIUDGWCXVFWCOR-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623550433 350047577 /nfs/dbraw/zinc/04/75/77/350047577.db2.gz OGBMDYIPVDJEGB-QWHCGFSZSA-N 2 1 254.418 2.406 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C12CCC2 ZINC000623546926 350048134 /nfs/dbraw/zinc/04/81/34/350048134.db2.gz ADNLKGBNYUZLTH-MGPQQGTHSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)CC1(C)C ZINC000623557104 350049270 /nfs/dbraw/zinc/04/92/70/350049270.db2.gz KXQZGXDAMBSZOL-HNNXBMFYSA-N 2 1 262.397 2.141 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)O1 ZINC000623570216 350053234 /nfs/dbraw/zinc/05/32/34/350053234.db2.gz LEEADJJKNVZYLB-HZSPNIEDSA-N 2 1 254.418 2.406 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411844964 233286936 /nfs/dbraw/zinc/28/69/36/233286936.db2.gz KDKARFXCLFITCV-MRXNPFEDSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411844964 233286940 /nfs/dbraw/zinc/28/69/40/233286940.db2.gz KDKARFXCLFITCV-MRXNPFEDSA-N 2 1 277.412 2.473 20 0 CEADMP COCc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000090720320 180029959 /nfs/dbraw/zinc/02/99/59/180029959.db2.gz DWELDIRVERAANM-CJNGLKHVSA-N 2 1 262.397 2.405 20 0 CEADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccco1 ZINC000090937325 180068351 /nfs/dbraw/zinc/06/83/51/180068351.db2.gz LOFSCHOIQVHRLH-ZDUSSCGKSA-N 2 1 289.379 2.466 20 0 CEADMP COC[C@H](CC(C)C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120727 350198368 /nfs/dbraw/zinc/19/83/68/350198368.db2.gz FSVVZLMZLNRDMA-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120669 350198652 /nfs/dbraw/zinc/19/86/52/350198652.db2.gz DQGVTMGWIBACPY-GXTWGEPZSA-N 2 1 264.417 2.111 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120669 350198657 /nfs/dbraw/zinc/19/86/57/350198657.db2.gz DQGVTMGWIBACPY-GXTWGEPZSA-N 2 1 264.417 2.111 20 0 CEADMP C[N@H+]1CCCC[C@H](CNC2CC[NH+](CC3CC3)CC2)C1 ZINC000624121309 350199079 /nfs/dbraw/zinc/19/90/79/350199079.db2.gz SXVKBMMMROMETN-MRXNPFEDSA-N 2 1 279.472 2.182 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000624121309 350199080 /nfs/dbraw/zinc/19/90/80/350199080.db2.gz SXVKBMMMROMETN-MRXNPFEDSA-N 3 1 279.472 2.182 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000624121309 350199081 /nfs/dbraw/zinc/19/90/81/350199081.db2.gz SXVKBMMMROMETN-MRXNPFEDSA-N 3 1 279.472 2.182 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624123083 350199918 /nfs/dbraw/zinc/19/99/18/350199918.db2.gz FQGNEPDQDFZZIU-JSGCOSHPSA-N 2 1 262.401 2.168 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123083 350199921 /nfs/dbraw/zinc/19/99/21/350199921.db2.gz FQGNEPDQDFZZIU-JSGCOSHPSA-N 2 1 262.401 2.168 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000192551529 539772439 /nfs/dbraw/zinc/77/24/39/539772439.db2.gz HURCKOTWQMBEDA-ILXRZTDVSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000192551575 539772737 /nfs/dbraw/zinc/77/27/37/539772737.db2.gz HURCKOTWQMBEDA-SOUVJXGZSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@]1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]2C[C@H]2C1 ZINC000624201786 350226943 /nfs/dbraw/zinc/22/69/43/350226943.db2.gz RKDIEJDQPKPRCO-HDEZJCGLSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@]1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]2C[C@H]2C1 ZINC000624201789 350227095 /nfs/dbraw/zinc/22/70/95/350227095.db2.gz RKDIEJDQPKPRCO-WTTBNOFXSA-N 2 1 278.440 2.266 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625134751 350411475 /nfs/dbraw/zinc/41/14/75/350411475.db2.gz DUMDNHFGOWXECJ-UHFFFAOYSA-N 2 1 298.471 2.234 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1O ZINC000106868853 186145165 /nfs/dbraw/zinc/14/51/65/186145165.db2.gz UZKDBCZOXMPCMK-ZIAGYGMSSA-N 2 1 276.380 2.117 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1O ZINC000106868853 186145166 /nfs/dbraw/zinc/14/51/66/186145166.db2.gz UZKDBCZOXMPCMK-ZIAGYGMSSA-N 2 1 276.380 2.117 20 0 CEADMP CCO[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C1CC1 ZINC000625448612 350501942 /nfs/dbraw/zinc/50/19/42/350501942.db2.gz PAEBXLOHTABHNK-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CCO[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C1CC1 ZINC000625448612 350501944 /nfs/dbraw/zinc/50/19/44/350501944.db2.gz PAEBXLOHTABHNK-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CCO[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C1CC1 ZINC000625448612 350501946 /nfs/dbraw/zinc/50/19/46/350501946.db2.gz PAEBXLOHTABHNK-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP c1ccc2c(c1)cccc2C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107573683 186180241 /nfs/dbraw/zinc/18/02/41/186180241.db2.gz XUYJQFSPVDJKJA-IYBDPMFKSA-N 2 1 252.361 2.491 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c[nH]nc3c2)CC[N@@H+]1C ZINC000130633124 365975291 /nfs/dbraw/zinc/97/52/91/365975291.db2.gz OHHBAFMMZBDULX-DOMZBBRYSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c[nH]nc3c2)CC[N@H+]1C ZINC000130633124 365975293 /nfs/dbraw/zinc/97/52/93/365975293.db2.gz OHHBAFMMZBDULX-DOMZBBRYSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c[nH]nc3c2)CC[NH+]1C ZINC000130633124 365975296 /nfs/dbraw/zinc/97/52/96/365975296.db2.gz OHHBAFMMZBDULX-DOMZBBRYSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c[nH]nc3c2)CC[NH+]1C ZINC000130633124 365975297 /nfs/dbraw/zinc/97/52/97/365975297.db2.gz OHHBAFMMZBDULX-DOMZBBRYSA-N 2 1 272.396 2.477 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)C1CCCCC1 ZINC000625988106 350621660 /nfs/dbraw/zinc/62/16/60/350621660.db2.gz VORXRPQYCAUPOI-GOEBONIOSA-N 2 1 270.461 2.447 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)C1CCCCC1 ZINC000625988106 350621664 /nfs/dbraw/zinc/62/16/64/350621664.db2.gz VORXRPQYCAUPOI-GOEBONIOSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](C)C1CCCCC1 ZINC000625988106 350621667 /nfs/dbraw/zinc/62/16/67/350621667.db2.gz VORXRPQYCAUPOI-GOEBONIOSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](C)C1CCCCC1 ZINC000625988106 350621670 /nfs/dbraw/zinc/62/16/70/350621670.db2.gz VORXRPQYCAUPOI-GOEBONIOSA-N 2 1 270.461 2.447 20 0 CEADMP CCc1nc(C[N@H+](C)CC2CC[NH+](C)CC2)cs1 ZINC000110116929 186286237 /nfs/dbraw/zinc/28/62/37/186286237.db2.gz DIXDQUNOFYZYDR-UHFFFAOYSA-N 2 1 267.442 2.479 20 0 CEADMP CCc1nc(C[N@@H+](C)CC2CC[NH+](C)CC2)cs1 ZINC000110116929 186286239 /nfs/dbraw/zinc/28/62/39/186286239.db2.gz DIXDQUNOFYZYDR-UHFFFAOYSA-N 2 1 267.442 2.479 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000130899279 366004045 /nfs/dbraw/zinc/00/40/45/366004045.db2.gz QSPRREOLNBFPGD-CHWSQXEVSA-N 2 1 278.396 2.354 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000131029241 366015425 /nfs/dbraw/zinc/01/54/25/366015425.db2.gz UBAKLIXWPWODJH-HIFRSBDPSA-N 2 1 292.423 2.176 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3n[nH]cc32)C1 ZINC000628186713 350997299 /nfs/dbraw/zinc/99/72/99/350997299.db2.gz UFZVVRFMDKLVPQ-CYBMUJFWSA-N 2 1 272.396 2.337 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3n[nH]cc32)C1 ZINC000628186713 350997300 /nfs/dbraw/zinc/99/73/00/350997300.db2.gz UFZVVRFMDKLVPQ-CYBMUJFWSA-N 2 1 272.396 2.337 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3n[nH]cc32)C1 ZINC000628186713 350997301 /nfs/dbraw/zinc/99/73/01/350997301.db2.gz UFZVVRFMDKLVPQ-CYBMUJFWSA-N 2 1 272.396 2.337 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@]1(C)CCCS1 ZINC000628190576 350998356 /nfs/dbraw/zinc/99/83/56/350998356.db2.gz KAMKYKNOKDIHCZ-WCVJEAGWSA-N 2 1 298.496 2.456 20 0 CEADMP CCC(O)(CC)C[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000628480031 351111498 /nfs/dbraw/zinc/11/14/98/351111498.db2.gz WKGMPQHWOZWXQI-UHFFFAOYSA-N 2 1 288.395 2.250 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000628425310 351097874 /nfs/dbraw/zinc/09/78/74/351097874.db2.gz HCKGJMZTTAMTGO-CQSZACIVSA-N 2 1 273.424 2.392 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000628425310 351097877 /nfs/dbraw/zinc/09/78/77/351097877.db2.gz HCKGJMZTTAMTGO-CQSZACIVSA-N 2 1 273.424 2.392 20 0 CEADMP CC(C)OC1CC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000628425229 351098085 /nfs/dbraw/zinc/09/80/85/351098085.db2.gz FAWPJZKHYQPJRH-WLYUNCDWSA-N 2 1 254.418 2.264 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1CC1 ZINC000629516604 351384865 /nfs/dbraw/zinc/38/48/65/351384865.db2.gz LNHURPZKJWWUFN-HRCADAONSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(F)cc(F)c1 ZINC000629521641 351387978 /nfs/dbraw/zinc/38/79/78/351387978.db2.gz PSTJCMDUJLLENB-JTQLQIEISA-N 2 1 270.323 2.123 20 0 CEADMP [NH3+]CCC[N@@H+](CCOC1CCOCC1)CC1CCCC1 ZINC000629531354 351396039 /nfs/dbraw/zinc/39/60/39/351396039.db2.gz IGVNNNYFTUSKOI-UHFFFAOYSA-N 2 1 284.444 2.023 20 0 CEADMP CCO[C@H](C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C1CC1 ZINC000629534793 351398597 /nfs/dbraw/zinc/39/85/97/351398597.db2.gz AWSZBPMCTGUMQT-UKRRQHHQSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000629407697 351355142 /nfs/dbraw/zinc/35/51/42/351355142.db2.gz IERYDIOCSHCOTP-XHDPSFHLSA-N 2 1 295.377 2.274 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC1(C(F)(F)F)CCCC1)C1CC1 ZINC000629612347 351431364 /nfs/dbraw/zinc/43/13/64/351431364.db2.gz AFLRZPLMHHITPL-GFCCVEGCSA-N 2 1 294.361 2.154 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(C(F)(F)F)CCCC1)C1CC1 ZINC000629612347 351431372 /nfs/dbraw/zinc/43/13/72/351431372.db2.gz AFLRZPLMHHITPL-GFCCVEGCSA-N 2 1 294.361 2.154 20 0 CEADMP CC[C@H]1CCC[C@H](C[N@@H+](C)CCOCC[NH2+]C)C1 ZINC000629654393 351452099 /nfs/dbraw/zinc/45/20/99/351452099.db2.gz QPOGXWMAGDPJNI-GJZGRUSLSA-N 2 1 256.434 2.371 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000629655421 351452626 /nfs/dbraw/zinc/45/26/26/351452626.db2.gz WRFGBGJRYNQRJZ-CYBMUJFWSA-N 2 1 268.376 2.097 20 0 CEADMP C[N@H+](CCOCC[NH3+])Cc1cnc(C2CCCC2)s1 ZINC000629663320 351455940 /nfs/dbraw/zinc/45/59/40/351455940.db2.gz LYLXHIYKHGUBPO-UHFFFAOYSA-N 2 1 283.441 2.208 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1cnc(C2CCCC2)s1 ZINC000629663320 351455950 /nfs/dbraw/zinc/45/59/50/351455950.db2.gz LYLXHIYKHGUBPO-UHFFFAOYSA-N 2 1 283.441 2.208 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1cc(F)cc(C(F)(F)F)c1 ZINC000629665598 351457837 /nfs/dbraw/zinc/45/78/37/351457837.db2.gz XIHMQIKBYSVOPN-UHFFFAOYSA-N 2 1 294.292 2.252 20 0 CEADMP C[N@@H+](CCOCC[NH3+])[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000629667230 351458522 /nfs/dbraw/zinc/45/85/22/351458522.db2.gz VYUMQWCOTQHBFK-IRXDYDNUSA-N 2 1 276.424 2.404 20 0 CEADMP CCCCOCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560872 351414776 /nfs/dbraw/zinc/41/47/76/351414776.db2.gz GLWQZSZXBBCWGD-RYUDHWBXSA-N 2 1 282.350 2.262 20 0 CEADMP CCCCOCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560872 351414777 /nfs/dbraw/zinc/41/47/77/351414777.db2.gz GLWQZSZXBBCWGD-RYUDHWBXSA-N 2 1 282.350 2.262 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)CCSc1ccc(F)cc1 ZINC000629570962 351419713 /nfs/dbraw/zinc/41/97/13/351419713.db2.gz FDEHCWSGCLTSCI-UHFFFAOYSA-N 2 1 286.416 2.086 20 0 CEADMP COc1c(C)c[nH+]c(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1C ZINC000629585644 351424301 /nfs/dbraw/zinc/42/43/01/351424301.db2.gz ZVHVGQBPCWXTLG-CALCHBBNSA-N 2 1 289.423 2.138 20 0 CEADMP CO[C@@H](C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CCCC1 ZINC000629592355 351425934 /nfs/dbraw/zinc/42/59/34/351425934.db2.gz AXIZXNAPYGBLGW-HRCADAONSA-N 2 1 266.429 2.123 20 0 CEADMP CCc1cccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070170612 363043702 /nfs/dbraw/zinc/04/37/02/363043702.db2.gz PZCVFTDDMVTDMO-OAHLLOKOSA-N 2 1 289.423 2.248 20 0 CEADMP COc1ccc(OCC[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070170860 363044056 /nfs/dbraw/zinc/04/40/56/363044056.db2.gz VXPCDTHTCRJFIP-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000070170624 363044124 /nfs/dbraw/zinc/04/41/24/363044124.db2.gz WSINENMLXJXVAI-GFCCVEGCSA-N 2 1 275.352 2.495 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070171070 363045391 /nfs/dbraw/zinc/04/53/91/363045391.db2.gz URFWUPSSPWYGLI-MRXNPFEDSA-N 2 1 297.487 2.476 20 0 CEADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000131165107 366026485 /nfs/dbraw/zinc/02/64/85/366026485.db2.gz JFFKEYGEZMLVON-HNNXBMFYSA-N 2 1 276.428 2.334 20 0 CEADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000131165107 366026493 /nfs/dbraw/zinc/02/64/93/366026493.db2.gz JFFKEYGEZMLVON-HNNXBMFYSA-N 2 1 276.428 2.334 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000070357000 363075813 /nfs/dbraw/zinc/07/58/13/363075813.db2.gz ZORJJTFLFGZZAQ-LZWOXQAQSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000131605213 366070091 /nfs/dbraw/zinc/07/00/91/366070091.db2.gz PPPCUODNDJRWQG-RYUDHWBXSA-N 2 1 295.814 2.338 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2CC2)CC1 ZINC000122079797 187013803 /nfs/dbraw/zinc/01/38/03/187013803.db2.gz RGOXQWGMJSFPML-UHFFFAOYSA-N 2 1 268.445 2.467 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000630721529 351833761 /nfs/dbraw/zinc/83/37/61/351833761.db2.gz GUIJAMSFWGGXQL-JKSUJKDBSA-N 2 1 289.423 2.417 20 0 CEADMP C[N@H+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000122743913 187048883 /nfs/dbraw/zinc/04/88/83/187048883.db2.gz NQJHUKAGFHUVND-CQSZACIVSA-N 2 1 272.396 2.337 20 0 CEADMP C[NH+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000122743913 187048884 /nfs/dbraw/zinc/04/88/84/187048884.db2.gz NQJHUKAGFHUVND-CQSZACIVSA-N 2 1 272.396 2.337 20 0 CEADMP C[NH+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000122743913 187048885 /nfs/dbraw/zinc/04/88/85/187048885.db2.gz NQJHUKAGFHUVND-CQSZACIVSA-N 2 1 272.396 2.337 20 0 CEADMP COC[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000122818855 187053949 /nfs/dbraw/zinc/05/39/49/187053949.db2.gz VIBQGUCESRHYJH-SFHVURJKSA-N 2 1 288.435 2.449 20 0 CEADMP COC[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000122818855 187053950 /nfs/dbraw/zinc/05/39/50/187053950.db2.gz VIBQGUCESRHYJH-SFHVURJKSA-N 2 1 288.435 2.449 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC[N@H+]1C ZINC000631144666 351984931 /nfs/dbraw/zinc/98/49/31/351984931.db2.gz PHSSWSRABPBQSZ-YHUYYLMFSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000631167789 351996943 /nfs/dbraw/zinc/99/69/43/351996943.db2.gz SDLUOOJDGUHHDJ-UHFFFAOYSA-N 2 1 292.471 2.366 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000631167789 351996946 /nfs/dbraw/zinc/99/69/46/351996946.db2.gz SDLUOOJDGUHHDJ-UHFFFAOYSA-N 2 1 292.471 2.366 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CO)CCCCC2)[C@@H](C)C1 ZINC000678595513 539893315 /nfs/dbraw/zinc/89/33/15/539893315.db2.gz BACUBGLVBPOWMD-LSDHHAIUSA-N 2 1 268.445 2.249 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccccc3)C2)C1 ZINC000292205000 198202708 /nfs/dbraw/zinc/20/27/08/198202708.db2.gz SRABMWJCLLQXKD-QGZVFWFLSA-N 2 1 287.407 2.043 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3ccccc3)C2)C1 ZINC000292205000 198202710 /nfs/dbraw/zinc/20/27/10/198202710.db2.gz SRABMWJCLLQXKD-QGZVFWFLSA-N 2 1 287.407 2.043 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccccc3)C2)C1 ZINC000292205000 198202712 /nfs/dbraw/zinc/20/27/12/198202712.db2.gz SRABMWJCLLQXKD-QGZVFWFLSA-N 2 1 287.407 2.043 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000564822739 313777487 /nfs/dbraw/zinc/77/74/87/313777487.db2.gz WJEKLJYFGXOZJE-GFCCVEGCSA-N 2 1 266.385 2.354 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250998676 539970958 /nfs/dbraw/zinc/97/09/58/539970958.db2.gz XPDHDIOZFAJGAP-DZGCQCFKSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250998676 539970963 /nfs/dbraw/zinc/97/09/63/539970963.db2.gz XPDHDIOZFAJGAP-DZGCQCFKSA-N 2 1 263.385 2.255 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+](C)CC1 ZINC000154412926 188140309 /nfs/dbraw/zinc/14/03/09/188140309.db2.gz MQZVEBTVIATWSS-UHFFFAOYSA-N 2 1 289.467 2.392 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CCO)c1ccccc1 ZINC000271672268 191270791 /nfs/dbraw/zinc/27/07/91/191270791.db2.gz NJJDPSNMPGLHAT-MRXNPFEDSA-N 2 1 273.380 2.295 20 0 CEADMP CC[C@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251934769 539994996 /nfs/dbraw/zinc/99/49/96/539994996.db2.gz ZQDZVXFBUOEGST-SWLSCSKDSA-N 2 1 266.360 2.264 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCSC2)C1 ZINC000494934546 291006441 /nfs/dbraw/zinc/00/64/41/291006441.db2.gz GFYSKJNLOZVYKX-UONOGXRCSA-N 2 1 256.459 2.403 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000494934546 291006442 /nfs/dbraw/zinc/00/64/42/291006442.db2.gz GFYSKJNLOZVYKX-UONOGXRCSA-N 2 1 256.459 2.403 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000494934546 291006443 /nfs/dbraw/zinc/00/64/43/291006443.db2.gz GFYSKJNLOZVYKX-UONOGXRCSA-N 2 1 256.459 2.403 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cncc(F)c1 ZINC000132160169 366122439 /nfs/dbraw/zinc/12/24/39/366122439.db2.gz UPHZYMVBYSIUOB-NSHDSACASA-N 2 1 253.365 2.459 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000495080216 291016232 /nfs/dbraw/zinc/01/62/32/291016232.db2.gz CEFBAQRIBAOXOZ-GJZGRUSLSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000488421633 290397649 /nfs/dbraw/zinc/39/76/49/290397649.db2.gz SXEPFLZXINXQPT-ZIAGYGMSSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(CC[NH3+])CC1 ZINC000569732158 299215308 /nfs/dbraw/zinc/21/53/08/299215308.db2.gz IQXMZHJPOZHMIV-CQSZACIVSA-N 2 1 299.422 2.389 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000488543043 290408597 /nfs/dbraw/zinc/40/85/97/290408597.db2.gz JGUSNFBGUAOINM-HUUCEWRRSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C(C)C)[C@H](CO)C(C)C ZINC000451604292 283048046 /nfs/dbraw/zinc/04/80/46/283048046.db2.gz YICZQJVHXTZYMD-HZPDHXFCSA-N 2 1 281.444 2.460 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451696581 283076195 /nfs/dbraw/zinc/07/61/95/283076195.db2.gz GOUSHFCIEFOCQY-IKGGRYGDSA-N 2 1 291.439 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451696581 283076196 /nfs/dbraw/zinc/07/61/96/283076196.db2.gz GOUSHFCIEFOCQY-IKGGRYGDSA-N 2 1 291.439 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451696581 283076199 /nfs/dbraw/zinc/07/61/99/283076199.db2.gz GOUSHFCIEFOCQY-IKGGRYGDSA-N 2 1 291.439 2.455 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000161632610 540139854 /nfs/dbraw/zinc/13/98/54/540139854.db2.gz QYKVLTZGKODBEO-XHSDSOJGSA-N 2 1 289.423 2.066 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000309756426 540160999 /nfs/dbraw/zinc/16/09/99/540160999.db2.gz XDKPNLFQXFLBOG-GOEBONIOSA-N 2 1 262.397 2.133 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)[C@H]2CCC[C@@H]21 ZINC000353523162 283140765 /nfs/dbraw/zinc/14/07/65/283140765.db2.gz WYAIQPCHCPKPRG-MQYQWHSLSA-N 2 1 254.443 2.344 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)[C@H]2CCC[C@H]21 ZINC000353669171 283142057 /nfs/dbraw/zinc/14/20/57/283142057.db2.gz BYWZTSUDLPJZRZ-AQGHMYMLSA-N 2 1 264.413 2.016 20 0 CEADMP COC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(C)o1 ZINC000273551955 192198847 /nfs/dbraw/zinc/19/88/47/192198847.db2.gz XOXAIGNZUCXBPG-CQSZACIVSA-N 2 1 277.368 2.460 20 0 CEADMP C[C@@H](O)C[N@@H+](CCC[NH3+])[C@H](C)Cc1ccc(Cl)cc1 ZINC000414760213 540245571 /nfs/dbraw/zinc/24/55/71/540245571.db2.gz GQPXFGJHGIRWOH-CHWSQXEVSA-N 2 1 284.831 2.303 20 0 CEADMP CC(C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC(C)(C)C1 ZINC000452112640 283191220 /nfs/dbraw/zinc/19/12/20/283191220.db2.gz YNPNKWATGSRMRS-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC(C)(C)C1 ZINC000452112640 283191222 /nfs/dbraw/zinc/19/12/22/283191222.db2.gz YNPNKWATGSRMRS-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000076004308 363507179 /nfs/dbraw/zinc/50/71/79/363507179.db2.gz ZQYCVVUDCYYFOK-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)CO1 ZINC000678153289 538752755 /nfs/dbraw/zinc/75/27/55/538752755.db2.gz IAJXVAPNCFPZNH-LSDHHAIUSA-N 2 1 292.423 2.236 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)CO1 ZINC000678153289 538752762 /nfs/dbraw/zinc/75/27/62/538752762.db2.gz IAJXVAPNCFPZNH-LSDHHAIUSA-N 2 1 292.423 2.236 20 0 CEADMP COCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441391475 538832773 /nfs/dbraw/zinc/83/27/73/538832773.db2.gz GUFGLYHXVKUHAD-LZWOXQAQSA-N 2 1 266.429 2.360 20 0 CEADMP COCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441391475 538832780 /nfs/dbraw/zinc/83/27/80/538832780.db2.gz GUFGLYHXVKUHAD-LZWOXQAQSA-N 2 1 266.429 2.360 20 0 CEADMP COCC[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441391475 538832785 /nfs/dbraw/zinc/83/27/85/538832785.db2.gz GUFGLYHXVKUHAD-LZWOXQAQSA-N 2 1 266.429 2.360 20 0 CEADMP COCC[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441391475 538832788 /nfs/dbraw/zinc/83/27/88/538832788.db2.gz GUFGLYHXVKUHAD-LZWOXQAQSA-N 2 1 266.429 2.360 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)C[C@H]1c1ccccc1 ZINC000417401985 540275046 /nfs/dbraw/zinc/27/50/46/540275046.db2.gz MBTLMSORXQROII-NCOADZHNSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)C[C@H]1c1ccccc1 ZINC000417401985 540275049 /nfs/dbraw/zinc/27/50/49/540275049.db2.gz MBTLMSORXQROII-NCOADZHNSA-N 2 1 274.408 2.325 20 0 CEADMP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000353528652 540316511 /nfs/dbraw/zinc/31/65/11/540316511.db2.gz OLFOFWFUNAJSAZ-KGLIPLIRSA-N 2 1 254.418 2.121 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)Nc1cc(CC)[nH+]c(C)n1 ZINC000357776082 540367823 /nfs/dbraw/zinc/36/78/23/540367823.db2.gz SAHXFLXWIPJDGK-GFCCVEGCSA-N 2 1 264.417 2.302 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)Nc1cc(CC)[nH+]c(C)n1 ZINC000357776082 540367824 /nfs/dbraw/zinc/36/78/24/540367824.db2.gz SAHXFLXWIPJDGK-GFCCVEGCSA-N 2 1 264.417 2.302 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4cccnc4o3)C2)C1 ZINC000336212182 213034899 /nfs/dbraw/zinc/03/48/99/213034899.db2.gz IBLOVWVNYCIPBV-MRXNPFEDSA-N 2 1 271.364 2.355 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4cccnc4o3)C2)C1 ZINC000336212182 213034900 /nfs/dbraw/zinc/03/49/00/213034900.db2.gz IBLOVWVNYCIPBV-MRXNPFEDSA-N 2 1 271.364 2.355 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4cccnc4o3)C2)C1 ZINC000336212182 213034903 /nfs/dbraw/zinc/03/49/03/213034903.db2.gz IBLOVWVNYCIPBV-MRXNPFEDSA-N 2 1 271.364 2.355 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4cccnc4o3)C2)C1 ZINC000336212182 213034906 /nfs/dbraw/zinc/03/49/06/213034906.db2.gz IBLOVWVNYCIPBV-MRXNPFEDSA-N 2 1 271.364 2.355 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000577859575 366407214 /nfs/dbraw/zinc/40/72/14/366407214.db2.gz DWQYADFBGMVBGI-NUJGCVRESA-N 2 1 290.451 2.473 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCC(C)(C)C(=O)OC)CC1 ZINC000338548411 366407291 /nfs/dbraw/zinc/40/72/91/366407291.db2.gz XRKYFJFNNFXIKG-UHFFFAOYSA-N 2 1 284.444 2.382 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496632718 291156712 /nfs/dbraw/zinc/15/67/12/291156712.db2.gz MWVSQHPCQFGAMB-AWEZNQCLSA-N 2 1 299.459 2.175 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496632718 291156713 /nfs/dbraw/zinc/15/67/13/291156713.db2.gz MWVSQHPCQFGAMB-AWEZNQCLSA-N 2 1 299.459 2.175 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496632718 291156714 /nfs/dbraw/zinc/15/67/14/291156714.db2.gz MWVSQHPCQFGAMB-AWEZNQCLSA-N 2 1 299.459 2.175 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496632718 291156715 /nfs/dbraw/zinc/15/67/15/291156715.db2.gz MWVSQHPCQFGAMB-AWEZNQCLSA-N 2 1 299.459 2.175 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C12CCCCC2 ZINC000578334188 366478580 /nfs/dbraw/zinc/47/85/80/366478580.db2.gz CHPOVMMRPWPXRC-ARFHVFGLSA-N 2 1 298.471 2.017 20 0 CEADMP c1c[nH+]c(N2CC[NH+](CCCc3ccccc3)CC2)[nH]1 ZINC000578635320 366524517 /nfs/dbraw/zinc/52/45/17/366524517.db2.gz VKEPTCWVEOMEIC-UHFFFAOYSA-N 2 1 270.380 2.165 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496850246 291176400 /nfs/dbraw/zinc/17/64/00/291176400.db2.gz WSPQFDWRDPYXDR-SWLSCSKDSA-N 2 1 291.395 2.277 20 0 CEADMP c1cc(C[N@@H+]2CC[C@H](C3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667681324 540519041 /nfs/dbraw/zinc/51/90/41/540519041.db2.gz FZWDDKKVZBSNLH-AWEZNQCLSA-N 2 1 268.364 2.499 20 0 CEADMP c1cc(C[N@H+]2CC[C@H](C3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667681324 540519046 /nfs/dbraw/zinc/51/90/46/540519046.db2.gz FZWDDKKVZBSNLH-AWEZNQCLSA-N 2 1 268.364 2.499 20 0 CEADMP CCCn1nccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000667705714 540522881 /nfs/dbraw/zinc/52/28/81/540522881.db2.gz JKKMCHLEJVSGKU-GOEBONIOSA-N 2 1 276.428 2.209 20 0 CEADMP Cc1ncc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)n1C ZINC000667965744 540542756 /nfs/dbraw/zinc/54/27/56/540542756.db2.gz QACTWZMQKQLPFC-HNNXBMFYSA-N 2 1 270.380 2.188 20 0 CEADMP Cc1[nH+]cc(CN(CC[NH+](C)C)Cc2ccccc2)n1C ZINC000668155291 540575283 /nfs/dbraw/zinc/57/52/83/540575283.db2.gz JTZXXPXUUOLWAL-UHFFFAOYSA-N 2 1 286.423 2.292 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000080476349 363663634 /nfs/dbraw/zinc/66/36/34/363663634.db2.gz KYKCGSZXEGCDCP-INIZCTEOSA-N 2 1 297.487 2.486 20 0 CEADMP C[C@H](CCCc1cccnc1)[NH2+]C1CC[NH+](C)CC1 ZINC000453076390 283465774 /nfs/dbraw/zinc/46/57/74/283465774.db2.gz HQYJDAKBGXIEJT-CQSZACIVSA-N 2 1 261.413 2.477 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166476347 540642046 /nfs/dbraw/zinc/64/20/46/540642046.db2.gz XLCNRSFWQYIMCX-BZUAXINKSA-N 2 1 266.429 2.144 20 0 CEADMP CC[N@@H+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000341797295 216109222 /nfs/dbraw/zinc/10/92/22/216109222.db2.gz KGTYYMZMJWTCAF-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000341797295 216109224 /nfs/dbraw/zinc/10/92/24/216109224.db2.gz KGTYYMZMJWTCAF-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CCO)C1CCCCC1 ZINC000579137627 366601447 /nfs/dbraw/zinc/60/14/47/366601447.db2.gz GNPVKODXLPHLDM-INIZCTEOSA-N 2 1 279.428 2.274 20 0 CEADMP COc1cccc2c1CCC[C@H]2[NH2+][C@H](C[NH3+])C1CC1 ZINC000579341912 366628692 /nfs/dbraw/zinc/62/86/92/366628692.db2.gz DUUXFUZQKSBUSC-HUUCEWRRSA-N 2 1 260.381 2.400 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000339068605 366638855 /nfs/dbraw/zinc/63/88/55/366638855.db2.gz LHMIKLPUFLUPNQ-KBPBESRZSA-N 2 1 292.427 2.342 20 0 CEADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000339070270 366640450 /nfs/dbraw/zinc/64/04/50/366640450.db2.gz KPASKMIAFPOIAT-OKZBNKHCSA-N 2 1 288.435 2.054 20 0 CEADMP c1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339074937 366642761 /nfs/dbraw/zinc/64/27/61/366642761.db2.gz NCWOQEBSRHCJDI-HUUCEWRRSA-N 2 1 284.407 2.253 20 0 CEADMP CC(C)(C)OC(=O)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339074446 366642781 /nfs/dbraw/zinc/64/27/81/366642781.db2.gz LPFUIDNTMJCCFB-KBPBESRZSA-N 2 1 282.428 2.325 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cccnc1-n1ccnc1 ZINC000151504717 366649898 /nfs/dbraw/zinc/64/98/98/366649898.db2.gz GHLYECMPZCBWDZ-YCPHGPKFSA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000151504717 366649902 /nfs/dbraw/zinc/64/99/02/366649902.db2.gz GHLYECMPZCBWDZ-YCPHGPKFSA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000151504717 366649913 /nfs/dbraw/zinc/64/99/13/366649913.db2.gz GHLYECMPZCBWDZ-YCPHGPKFSA-N 3 1 299.422 2.086 20 0 CEADMP CC(C)[NH+]1CCC([N@H+](C)CCc2ccccn2)CC1 ZINC000298174551 200353086 /nfs/dbraw/zinc/35/30/86/200353086.db2.gz UNSNXPGNUCHCIW-UHFFFAOYSA-N 2 1 261.413 2.429 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2ccccn2)CC1 ZINC000298174551 200353088 /nfs/dbraw/zinc/35/30/88/200353088.db2.gz UNSNXPGNUCHCIW-UHFFFAOYSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@@H](CC(N)=O)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000341963075 216169445 /nfs/dbraw/zinc/16/94/45/216169445.db2.gz JLJZJHQKQCZJDC-KBPBESRZSA-N 2 1 289.423 2.066 20 0 CEADMP C[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000674882687 540793678 /nfs/dbraw/zinc/79/36/78/540793678.db2.gz WMDFWUSVIBJFSP-BMFZPTHFSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000178785835 189145708 /nfs/dbraw/zinc/14/57/08/189145708.db2.gz GTMOKXOQZWAUNM-LBPRGKRZSA-N 2 1 275.400 2.364 20 0 CEADMP C[C@@H]1CN(C)c2ccccc2C[N@H+]1CC1CC[NH2+]CC1 ZINC000178981825 189158856 /nfs/dbraw/zinc/15/88/56/189158856.db2.gz KXIXXYXSZMNOIL-CQSZACIVSA-N 2 1 273.424 2.327 20 0 CEADMP COc1cc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)ccc1O ZINC000179240205 189180274 /nfs/dbraw/zinc/18/02/74/189180274.db2.gz ONMZNGDWIFQWGJ-CQSZACIVSA-N 2 1 278.396 2.317 20 0 CEADMP COc1cc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)ccc1O ZINC000179240205 189180275 /nfs/dbraw/zinc/18/02/75/189180275.db2.gz ONMZNGDWIFQWGJ-CQSZACIVSA-N 2 1 278.396 2.317 20 0 CEADMP COc1cc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)ccc1O ZINC000179240205 189180276 /nfs/dbraw/zinc/18/02/76/189180276.db2.gz ONMZNGDWIFQWGJ-CQSZACIVSA-N 2 1 278.396 2.317 20 0 CEADMP COc1cc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)ccc1O ZINC000179240205 189180277 /nfs/dbraw/zinc/18/02/77/189180277.db2.gz ONMZNGDWIFQWGJ-CQSZACIVSA-N 2 1 278.396 2.317 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)O)cc1 ZINC000179584040 189204369 /nfs/dbraw/zinc/20/43/69/189204369.db2.gz GNNWAZJGQBFQAO-NEPJUHHUSA-N 2 1 259.353 2.212 20 0 CEADMP C[C@H](CCc1cccn1C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000675903342 540881157 /nfs/dbraw/zinc/88/11/57/540881157.db2.gz CGGPIYXLKDGKTA-QLFBSQMISA-N 2 1 263.429 2.419 20 0 CEADMP C[C@H](CCc1cccn1C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000675903342 540881160 /nfs/dbraw/zinc/88/11/60/540881160.db2.gz CGGPIYXLKDGKTA-QLFBSQMISA-N 2 1 263.429 2.419 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000342202405 216257754 /nfs/dbraw/zinc/25/77/54/216257754.db2.gz ATSMNLBNLAPRDK-CQSZACIVSA-N 2 1 288.391 2.478 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000342202405 216257757 /nfs/dbraw/zinc/25/77/57/216257757.db2.gz ATSMNLBNLAPRDK-CQSZACIVSA-N 2 1 288.391 2.478 20 0 CEADMP CN(CCC[N@@H+](C)[C@H]1CCc2ccccc21)CC[NH+](C)C ZINC000677221236 540994443 /nfs/dbraw/zinc/99/44/43/540994443.db2.gz LPSXPWROABYXMG-SFHVURJKSA-N 2 1 289.467 2.489 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1ccccn1 ZINC000181496093 189298533 /nfs/dbraw/zinc/29/85/33/189298533.db2.gz WZEYGUZWMUYHFI-IIAWOOMASA-N 2 1 261.413 2.333 20 0 CEADMP COc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cn1 ZINC000579777486 366699585 /nfs/dbraw/zinc/69/95/85/366699585.db2.gz QXDSIXCMUMTZGX-LSDHHAIUSA-N 2 1 275.396 2.006 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccc(F)cc2)CC[N@H+]1C ZINC000181793195 189306383 /nfs/dbraw/zinc/30/63/83/189306383.db2.gz DWFMXXIGPRCQLD-KCXAZCMYSA-N 2 1 280.387 2.106 20 0 CEADMP COCC1(C[NH2+]CCCCn2cc[nH+]c2C)CCC1 ZINC000638674911 370678119 /nfs/dbraw/zinc/67/81/19/370678119.db2.gz NGFBZBSGMYHKAT-UHFFFAOYSA-N 2 1 265.401 2.378 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CCC[C@@H]1[NH3+] ZINC000340119153 366777423 /nfs/dbraw/zinc/77/74/23/366777423.db2.gz GXRJAGMOHNQEEK-OAGGEKHMSA-N 2 1 295.471 2.275 20 0 CEADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)C1CC1 ZINC000154537137 366778022 /nfs/dbraw/zinc/77/80/22/366778022.db2.gz URFDUSAIHAHTLU-MRXNPFEDSA-N 2 1 267.461 2.182 20 0 CEADMP C[N@@H+](CCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000340127745 366778277 /nfs/dbraw/zinc/77/82/77/366778277.db2.gz ZIEYCFXWQITUEM-GOEBONIOSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C[NH3+])cc1 ZINC000019390433 361529322 /nfs/dbraw/zinc/52/93/22/361529322.db2.gz FZMHZJJERIMNRA-AWEZNQCLSA-N 2 1 289.423 2.140 20 0 CEADMP Cc1cccc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000019439556 361536037 /nfs/dbraw/zinc/53/60/37/361536037.db2.gz HJQSHZZNNUBJSY-INIZCTEOSA-N 2 1 273.424 2.117 20 0 CEADMP COC[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678260849 541103156 /nfs/dbraw/zinc/10/31/56/541103156.db2.gz OVRCRYCLUYEVKI-MRXNPFEDSA-N 2 1 292.423 2.095 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000678604066 541156951 /nfs/dbraw/zinc/15/69/51/541156951.db2.gz YBOAYQRRCCGBCD-LBDPXKHJSA-N 3 1 267.461 2.179 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CC[N@H+]1C ZINC000678604066 541156952 /nfs/dbraw/zinc/15/69/52/541156952.db2.gz YBOAYQRRCCGBCD-LBDPXKHJSA-N 3 1 267.461 2.179 20 0 CEADMP C([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CCOCC1 ZINC000156064191 366827668 /nfs/dbraw/zinc/82/76/68/366827668.db2.gz DXSZCNVJQJOZIH-UHFFFAOYSA-N 2 1 296.455 2.038 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H](C)CCCCO)[NH+]1CCCC1 ZINC000679332075 541257544 /nfs/dbraw/zinc/25/75/44/541257544.db2.gz QLVUAJOERGQTHH-HUUCEWRRSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H](CCCCO)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000679329699 541256449 /nfs/dbraw/zinc/25/64/49/541256449.db2.gz RDSMSKPVDYDQLF-CQSZACIVSA-N 2 1 256.434 2.392 20 0 CEADMP CCc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000088760160 363921699 /nfs/dbraw/zinc/92/16/99/363921699.db2.gz QRGMAGHBCNWJGL-GFCCVEGCSA-N 2 1 260.385 2.244 20 0 CEADMP CCc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000088760160 363921702 /nfs/dbraw/zinc/92/17/02/363921702.db2.gz QRGMAGHBCNWJGL-GFCCVEGCSA-N 2 1 260.385 2.244 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000088782526 363922861 /nfs/dbraw/zinc/92/28/61/363922861.db2.gz CBBGYRWMSFTDHQ-NSHDSACASA-N 2 1 253.777 2.296 20 0 CEADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000093453083 364183589 /nfs/dbraw/zinc/18/35/89/364183589.db2.gz OIYIQSDPMFLCSS-OWCLPIDISA-N 2 1 259.397 2.400 20 0 CEADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC(C)(C)C)CC1 ZINC000093148275 364147108 /nfs/dbraw/zinc/14/71/08/364147108.db2.gz GYRBXXFXHGCMLO-HNNXBMFYSA-N 2 1 267.461 2.134 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCCc2cnn(C)c2)C1 ZINC000638787783 370750870 /nfs/dbraw/zinc/75/08/70/370750870.db2.gz FECOOWOEYXWTEA-INIZCTEOSA-N 2 1 292.471 2.310 20 0 CEADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC000638787826 370751017 /nfs/dbraw/zinc/75/10/17/370751017.db2.gz JJBYSODPRFVXKN-GDBMZVCRSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000094338853 364265912 /nfs/dbraw/zinc/26/59/12/364265912.db2.gz JPOKQVSAHVBQFF-CJNGLKHVSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000094338853 364265916 /nfs/dbraw/zinc/26/59/16/364265916.db2.gz JPOKQVSAHVBQFF-CJNGLKHVSA-N 2 1 270.380 2.041 20 0 CEADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCOC3)CC2)cc1 ZINC000095015551 364323059 /nfs/dbraw/zinc/32/30/59/364323059.db2.gz UQWIMSQWWCHQMS-QGZVFWFLSA-N 2 1 274.408 2.072 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](C2CC2)CC1 ZINC000340288610 366836333 /nfs/dbraw/zinc/83/63/33/366836333.db2.gz OZCWBCPSUORKGX-INIZCTEOSA-N 2 1 265.445 2.029 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C2CC2)CC1 ZINC000340288610 366836335 /nfs/dbraw/zinc/83/63/35/366836335.db2.gz OZCWBCPSUORKGX-INIZCTEOSA-N 2 1 265.445 2.029 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000581951716 366841106 /nfs/dbraw/zinc/84/11/06/366841106.db2.gz LFCVLNULNGOREI-DLBZAZTESA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000581951716 366841108 /nfs/dbraw/zinc/84/11/08/366841108.db2.gz LFCVLNULNGOREI-DLBZAZTESA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000581951716 366841117 /nfs/dbraw/zinc/84/11/17/366841117.db2.gz LFCVLNULNGOREI-DLBZAZTESA-N 2 1 294.414 2.145 20 0 CEADMP Cc1ncccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335144801 364538601 /nfs/dbraw/zinc/53/86/01/364538601.db2.gz WCHLQHUSWRPXCZ-XYPWUTKMSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1ncccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335144801 364538609 /nfs/dbraw/zinc/53/86/09/364538609.db2.gz WCHLQHUSWRPXCZ-XYPWUTKMSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1ncccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000335144801 364538614 /nfs/dbraw/zinc/53/86/14/364538614.db2.gz WCHLQHUSWRPXCZ-XYPWUTKMSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1ncccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335144801 364538624 /nfs/dbraw/zinc/53/86/24/364538624.db2.gz WCHLQHUSWRPXCZ-XYPWUTKMSA-N 2 1 259.397 2.447 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cncs3)C2)CC1 ZINC000335149158 364543906 /nfs/dbraw/zinc/54/39/06/364543906.db2.gz ILGJEOVGZJQKMD-CYBMUJFWSA-N 2 1 265.426 2.307 20 0 CEADMP C[N@@H+](Cc1cc2ccccc2[nH]c1=O)C1CC[NH2+]CC1 ZINC000335383345 364696642 /nfs/dbraw/zinc/69/66/42/364696642.db2.gz HTJPQMRNTYTJRS-UHFFFAOYSA-N 2 1 271.364 2.124 20 0 CEADMP c1[nH]nc2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)ccc12 ZINC000335631336 212345941 /nfs/dbraw/zinc/34/59/41/212345941.db2.gz AVVPHGZIMXPQHO-HOCLYGCPSA-N 2 1 284.407 2.384 20 0 CEADMP Cc1ccoc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000335739229 364911270 /nfs/dbraw/zinc/91/12/70/364911270.db2.gz BNNSOQMQTJAIGF-OAHLLOKOSA-N 2 1 291.439 2.188 20 0 CEADMP Cc1ccoc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000335739229 364911272 /nfs/dbraw/zinc/91/12/72/364911272.db2.gz BNNSOQMQTJAIGF-OAHLLOKOSA-N 2 1 291.439 2.188 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCCO1 ZINC000356676673 370791804 /nfs/dbraw/zinc/79/18/04/370791804.db2.gz CKRFMFAGXWVUBU-SWLSCSKDSA-N 2 1 252.402 2.160 20 0 CEADMP CC[C@@H](C)[N@H+](C)CCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000357243549 370809632 /nfs/dbraw/zinc/80/96/32/370809632.db2.gz YEXXTWBBWKGRHV-CQSZACIVSA-N 2 1 291.443 2.031 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000357243549 370809637 /nfs/dbraw/zinc/80/96/37/370809637.db2.gz YEXXTWBBWKGRHV-CQSZACIVSA-N 2 1 291.443 2.031 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000245410451 370815759 /nfs/dbraw/zinc/81/57/59/370815759.db2.gz RBLAUPPVTWZGCT-KFWWJZLASA-N 2 1 283.460 2.096 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1-n1cccn1 ZINC000119646497 365304912 /nfs/dbraw/zinc/30/49/12/365304912.db2.gz DEEBTWSQTMQURK-ZBFHGGJFSA-N 2 1 284.407 2.302 20 0 CEADMP Cc1ccc2cc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)ccc2n1 ZINC000275653413 193096840 /nfs/dbraw/zinc/09/68/40/193096840.db2.gz ULULUWBJRNSNOA-QGZVFWFLSA-N 2 1 299.418 2.090 20 0 CEADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C1 ZINC000582221312 366879103 /nfs/dbraw/zinc/87/91/03/366879103.db2.gz PBEDHVMZTBJCPN-YQQAZPJKSA-N 2 1 290.455 2.376 20 0 CEADMP CC[C@@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275687007 193105662 /nfs/dbraw/zinc/10/56/62/193105662.db2.gz IXGZKJBRSMJQIQ-OIISXLGYSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275687011 193105876 /nfs/dbraw/zinc/10/58/76/193105876.db2.gz IXGZKJBRSMJQIQ-UAGQMJEPSA-N 2 1 276.424 2.258 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000120295766 365404200 /nfs/dbraw/zinc/40/42/00/365404200.db2.gz HMGNZWJLMDOBGJ-INIZCTEOSA-N 2 1 299.374 2.400 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000582485196 366917159 /nfs/dbraw/zinc/91/71/59/366917159.db2.gz FBDBJRIHXMJTKS-CVEARBPZSA-N 2 1 289.423 2.067 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[C@@H]1C ZINC000582601703 366932278 /nfs/dbraw/zinc/93/22/78/366932278.db2.gz TXEOCYINCVSAMI-IXYNUQLISA-N 2 1 268.445 2.103 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H]1C ZINC000582601703 366932284 /nfs/dbraw/zinc/93/22/84/366932284.db2.gz TXEOCYINCVSAMI-IXYNUQLISA-N 2 1 268.445 2.103 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000582838711 366964511 /nfs/dbraw/zinc/96/45/11/366964511.db2.gz WRXUPNHEMWQBRQ-KFWWJZLASA-N 2 1 267.461 2.322 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000582838711 366964516 /nfs/dbraw/zinc/96/45/16/366964516.db2.gz WRXUPNHEMWQBRQ-KFWWJZLASA-N 2 1 267.461 2.322 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCC2(C1)CCCCCC2 ZINC000572413400 299366159 /nfs/dbraw/zinc/36/61/59/299366159.db2.gz CCMRKRHELCDUAG-HNNXBMFYSA-N 2 1 268.445 2.393 20 0 CEADMP Cc1cc(C[NH2+][C@H](C)C[NH3+])ccc1Br ZINC000162081064 367135687 /nfs/dbraw/zinc/13/56/87/367135687.db2.gz JXCZSFZDTIUNKW-SECBINFHSA-N 2 1 257.175 2.194 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CCCCC(F)(F)F)CC12CCOCC2 ZINC000583694298 367084180 /nfs/dbraw/zinc/08/41/80/367084180.db2.gz PFSCOQBAWPPVJJ-LBPRGKRZSA-N 2 1 294.361 2.406 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)nc2)[C@H](C)C1 ZINC000161566983 367096625 /nfs/dbraw/zinc/09/66/25/367096625.db2.gz IIKHIHNBJXFICO-CJNGLKHVSA-N 2 1 261.413 2.252 20 0 CEADMP c1cn(CC[N@H+]2CC[C@@H](COCc3ccccc3)C2)cn1 ZINC000163155456 367220620 /nfs/dbraw/zinc/22/06/20/367220620.db2.gz RFLOSRYLMMPZCC-QGZVFWFLSA-N 2 1 285.391 2.422 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000163177619 367221992 /nfs/dbraw/zinc/22/19/92/367221992.db2.gz VGMXQCOQBDYIKU-WDEREUQCSA-N 2 1 270.323 2.457 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000163177619 367221996 /nfs/dbraw/zinc/22/19/96/367221996.db2.gz VGMXQCOQBDYIKU-WDEREUQCSA-N 2 1 270.323 2.457 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccc(F)cc3)CC[C@@H]21 ZINC000162802960 367192813 /nfs/dbraw/zinc/19/28/13/367192813.db2.gz BHXCZCYSKMZCBH-XIRDDKMYSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)c3ccc(F)cc3)CC[C@@H]21 ZINC000162802960 367192815 /nfs/dbraw/zinc/19/28/15/367192815.db2.gz BHXCZCYSKMZCBH-XIRDDKMYSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3)CC[C@@H]21 ZINC000162802960 367192816 /nfs/dbraw/zinc/19/28/16/367192816.db2.gz BHXCZCYSKMZCBH-XIRDDKMYSA-N 2 1 292.398 2.275 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000341950544 367379795 /nfs/dbraw/zinc/37/97/95/367379795.db2.gz ILIYVYNJSBRBRQ-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000341950544 367379801 /nfs/dbraw/zinc/37/98/01/367379801.db2.gz ILIYVYNJSBRBRQ-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000341950544 367379804 /nfs/dbraw/zinc/37/98/04/367379804.db2.gz ILIYVYNJSBRBRQ-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)C[C@H]21 ZINC000342079813 367383352 /nfs/dbraw/zinc/38/33/52/367383352.db2.gz FFXZHIDJEOFJBU-FVQBIDKESA-N 2 1 297.402 2.500 20 0 CEADMP C[C@@H](CCC(C)(C)C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000342699247 367488646 /nfs/dbraw/zinc/48/86/46/367488646.db2.gz NQTRPULGRBRCNK-GJZGRUSLSA-N 2 1 297.487 2.378 20 0 CEADMP C([C@H]1CCCCO1)[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000631827257 367565632 /nfs/dbraw/zinc/56/56/32/367565632.db2.gz JOPRUZLILQOENM-RRFJBIMHSA-N 2 1 252.402 2.020 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](CCc2cccc3c2OC(F)(F)O3)C1 ZINC000631821678 367559436 /nfs/dbraw/zinc/55/94/36/367559436.db2.gz FTZGTZBWNRYNBD-NSHDSACASA-N 2 1 298.333 2.092 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCc2cccc3c2OC(F)(F)O3)C1 ZINC000631821678 367559439 /nfs/dbraw/zinc/55/94/39/367559439.db2.gz FTZGTZBWNRYNBD-NSHDSACASA-N 2 1 298.333 2.092 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000631820664 367559869 /nfs/dbraw/zinc/55/98/69/367559869.db2.gz CJCHNAQKRJWNAV-OAHLLOKOSA-N 2 1 261.413 2.438 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000631820664 367559873 /nfs/dbraw/zinc/55/98/73/367559873.db2.gz CJCHNAQKRJWNAV-OAHLLOKOSA-N 2 1 261.413 2.438 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)CC1 ZINC000631713991 367499101 /nfs/dbraw/zinc/49/91/01/367499101.db2.gz AVPVSDFKLKDOKM-STQMWFEESA-N 2 1 296.377 2.398 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000631829374 367567623 /nfs/dbraw/zinc/56/76/23/367567623.db2.gz OXKRBHZAZMBVJI-LXTVHRRPSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1C[N@@H+](CCCOCCc2ccccc2)C[C@H]1C[NH3+] ZINC000631841567 367582990 /nfs/dbraw/zinc/58/29/90/367582990.db2.gz MJIRZELQVODRTC-NVXWUHKLSA-N 2 1 276.424 2.162 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000631844585 367585355 /nfs/dbraw/zinc/58/53/55/367585355.db2.gz YKQVHQXFJLIPCL-ZYHUDNBSSA-N 2 1 283.213 2.476 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000631844585 367585360 /nfs/dbraw/zinc/58/53/60/367585360.db2.gz YKQVHQXFJLIPCL-ZYHUDNBSSA-N 2 1 283.213 2.476 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000681547875 541564988 /nfs/dbraw/zinc/56/49/88/541564988.db2.gz QYNUSUONOZUBEA-IHWYPQMZSA-N 2 1 259.328 2.405 20 0 CEADMP CO[C@@H](C[N@H+]1CCCCC[C@H]([NH3+])C1)C1CCCC1 ZINC000631835243 367573645 /nfs/dbraw/zinc/57/36/45/367573645.db2.gz PRQIDLUBNBENCZ-GJZGRUSLSA-N 2 1 254.418 2.395 20 0 CEADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844519 367586430 /nfs/dbraw/zinc/58/64/30/367586430.db2.gz XRBATEVVFDKYGI-GRYCIOLGSA-N 2 1 295.814 2.194 20 0 CEADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844519 367586435 /nfs/dbraw/zinc/58/64/35/367586435.db2.gz XRBATEVVFDKYGI-GRYCIOLGSA-N 2 1 295.814 2.194 20 0 CEADMP FC(F)[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000631865347 367599524 /nfs/dbraw/zinc/59/95/24/367599524.db2.gz IPXJVZAJACADAC-CYBMUJFWSA-N 2 1 276.371 2.122 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCCC[NH+](C)Cc2ccccc2)C1 ZINC000343065463 367655476 /nfs/dbraw/zinc/65/54/76/367655476.db2.gz LNODBRGHPWJLEK-FUHWJXTLSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000343065463 367655484 /nfs/dbraw/zinc/65/54/84/367655484.db2.gz LNODBRGHPWJLEK-FUHWJXTLSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000343065463 367655492 /nfs/dbraw/zinc/65/54/92/367655492.db2.gz LNODBRGHPWJLEK-FUHWJXTLSA-N 2 1 289.467 2.438 20 0 CEADMP FC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000343247979 367723559 /nfs/dbraw/zinc/72/35/59/367723559.db2.gz TXJIGHVKLWDUNL-UTUOFQBUSA-N 2 1 280.334 2.076 20 0 CEADMP CCO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C(C)C ZINC000343249837 367725787 /nfs/dbraw/zinc/72/57/87/367725787.db2.gz FNUYBNNBSHDCIN-YLFCFFPRSA-N 2 1 298.471 2.184 20 0 CEADMP CCc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000172382972 367731093 /nfs/dbraw/zinc/73/10/93/367731093.db2.gz DFKWAUFPYRBLHM-UHFFFAOYSA-N 2 1 289.467 2.318 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C)[C@@H](C)C1 ZINC000358003114 370866204 /nfs/dbraw/zinc/86/62/04/370866204.db2.gz IJLJLDGYUCBLMY-UGUYLWEFSA-N 2 1 268.445 2.369 20 0 CEADMP C(C1CCOCC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172575897 367778863 /nfs/dbraw/zinc/77/88/63/367778863.db2.gz JQYWTDSUDLBXMF-INIZCTEOSA-N 2 1 266.429 2.363 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358073113 370893636 /nfs/dbraw/zinc/89/36/36/370893636.db2.gz DKEZPOXESLNKBE-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358073113 370893639 /nfs/dbraw/zinc/89/36/39/370893639.db2.gz DKEZPOXESLNKBE-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358073113 370893641 /nfs/dbraw/zinc/89/36/41/370893641.db2.gz DKEZPOXESLNKBE-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245947921 370891852 /nfs/dbraw/zinc/89/18/52/370891852.db2.gz KROXBVBANQYTTP-OAGGEKHMSA-N 2 1 278.444 2.372 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000245947921 370891858 /nfs/dbraw/zinc/89/18/58/370891858.db2.gz KROXBVBANQYTTP-OAGGEKHMSA-N 2 1 278.444 2.372 20 0 CEADMP COc1c[nH+]ccc1N1CC[NH+](CC=C(C)C)CC1 ZINC000343747641 367984505 /nfs/dbraw/zinc/98/45/05/367984505.db2.gz SJUNINMDENMUKH-UHFFFAOYSA-N 2 1 261.369 2.178 20 0 CEADMP C[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000344546008 368127345 /nfs/dbraw/zinc/12/73/45/368127345.db2.gz YJLZQVIWYQWSOO-KLHDSHLOSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCSCC2)[C@H](C)C1 ZINC000345170299 368180521 /nfs/dbraw/zinc/18/05/21/368180521.db2.gz QUIHBTDXXYOZFB-OCCSQVGLSA-N 2 1 256.459 2.450 20 0 CEADMP CO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000572601263 299383355 /nfs/dbraw/zinc/38/33/55/299383355.db2.gz BTZKCPIUIRNNQU-PQEBFOHHSA-N 2 1 296.455 2.033 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H](c2ccccc2)O1 ZINC000178965242 368316531 /nfs/dbraw/zinc/31/65/31/368316531.db2.gz JMHOVRAFMLVERO-RHSMWYFYSA-N 2 1 274.408 2.448 20 0 CEADMP C[C@@H]([NH2+]Cc1cc[nH]n1)c1cccc(OCC[NH+](C)C)c1 ZINC000177955713 368285217 /nfs/dbraw/zinc/28/52/17/368285217.db2.gz WJBKVHQXDPCZGZ-CYBMUJFWSA-N 2 1 288.395 2.201 20 0 CEADMP C[C@@H](CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000345755469 368406664 /nfs/dbraw/zinc/40/66/64/368406664.db2.gz SZMDQOQLXSSJMH-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H](C(=O)N1CCC[N@H+](C(C)C)CC1)[NH+](CC)CC ZINC000345860407 368457990 /nfs/dbraw/zinc/45/79/90/368457990.db2.gz FMUSRHUDYFRKHA-OAHLLOKOSA-N 2 1 283.460 2.050 20 0 CEADMP CCO[C@H]1C[C@H]([N@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346310648 368631087 /nfs/dbraw/zinc/63/10/87/368631087.db2.gz NEHKGSRYCHBRSN-KBPBESRZSA-N 2 1 265.401 2.327 20 0 CEADMP CCO[C@H]1C[C@H]([N@@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346310648 368631089 /nfs/dbraw/zinc/63/10/89/368631089.db2.gz NEHKGSRYCHBRSN-KBPBESRZSA-N 2 1 265.401 2.327 20 0 CEADMP C[C@@H]1[C@@H](NC2CC[NH+](C(C)(C)C)CC2)CCC[N@H+]1C ZINC000346325431 368637457 /nfs/dbraw/zinc/63/74/57/368637457.db2.gz HLGATDIRACQUKK-HIFRSBDPSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CCCN1C ZINC000346325431 368637462 /nfs/dbraw/zinc/63/74/62/368637462.db2.gz HLGATDIRACQUKK-HIFRSBDPSA-N 2 1 267.461 2.322 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C1CCOCC1 ZINC000358087034 370898643 /nfs/dbraw/zinc/89/86/43/370898643.db2.gz XFBSCDGIZPISIL-OLZOCXBDSA-N 2 1 265.401 2.232 20 0 CEADMP COc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000358169501 370934436 /nfs/dbraw/zinc/93/44/36/370934436.db2.gz PGGAWPHUJCQUML-WMLDXEAASA-N 2 1 292.423 2.394 20 0 CEADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H](c2ccccc2)O1 ZINC000246247169 370935238 /nfs/dbraw/zinc/93/52/38/370935238.db2.gz JMHOVRAFMLVERO-YOEHRIQHSA-N 2 1 274.408 2.448 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000358176594 370938110 /nfs/dbraw/zinc/93/81/10/370938110.db2.gz WVEHWJQNBCWAAB-ZDUSSCGKSA-N 2 1 289.206 2.150 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000358176594 370938115 /nfs/dbraw/zinc/93/81/15/370938115.db2.gz WVEHWJQNBCWAAB-ZDUSSCGKSA-N 2 1 289.206 2.150 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346686337 368767979 /nfs/dbraw/zinc/76/79/79/368767979.db2.gz UFJAFLWOUSKCDL-ZFWWWQNUSA-N 2 1 284.407 2.350 20 0 CEADMP COCCOc1ccccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346640289 368746285 /nfs/dbraw/zinc/74/62/85/368746285.db2.gz AUQORCOKDBBRMT-UHFFFAOYSA-N 2 1 280.412 2.129 20 0 CEADMP COCCOc1ccccc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000346640289 368746293 /nfs/dbraw/zinc/74/62/93/368746293.db2.gz AUQORCOKDBBRMT-UHFFFAOYSA-N 2 1 280.412 2.129 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000346643521 368748147 /nfs/dbraw/zinc/74/81/47/368748147.db2.gz NCYALCAXAGKDAK-CHWSQXEVSA-N 2 1 276.380 2.017 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000346643521 368748148 /nfs/dbraw/zinc/74/81/48/368748148.db2.gz NCYALCAXAGKDAK-CHWSQXEVSA-N 2 1 276.380 2.017 20 0 CEADMP [NH3+]C1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000346644172 368748863 /nfs/dbraw/zinc/74/88/63/368748863.db2.gz LTCWOYDTTQJKNJ-UHFFFAOYSA-N 2 1 260.381 2.399 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cccc2c1OCO2 ZINC000346660975 368757739 /nfs/dbraw/zinc/75/77/39/368757739.db2.gz ASCJXKSOAFULKM-CYBMUJFWSA-N 2 1 264.369 2.221 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc2c1OCO2 ZINC000346660975 368757746 /nfs/dbraw/zinc/75/77/46/368757746.db2.gz ASCJXKSOAFULKM-CYBMUJFWSA-N 2 1 264.369 2.221 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000346660324 368757808 /nfs/dbraw/zinc/75/78/08/368757808.db2.gz ANGSVGWPYXOHBE-TZMCWYRMSA-N 2 1 288.370 2.181 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000346660324 368757816 /nfs/dbraw/zinc/75/78/16/368757816.db2.gz ANGSVGWPYXOHBE-TZMCWYRMSA-N 2 1 288.370 2.181 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CCOC(C)(C)C1)C1CC1 ZINC000634684076 368812642 /nfs/dbraw/zinc/81/26/42/368812642.db2.gz GQMPABVZICSIRO-CYBMUJFWSA-N 2 1 254.418 2.408 20 0 CEADMP COCC[NH2+]C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000634688652 368817013 /nfs/dbraw/zinc/81/70/13/368817013.db2.gz ZPYPDQRDHAMDIL-UHFFFAOYSA-N 2 1 299.418 2.435 20 0 CEADMP O[C@]1(C[NH2+]CC2=CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634722028 368839795 /nfs/dbraw/zinc/83/97/95/368839795.db2.gz IWVBANCNASJCKV-SFHVURJKSA-N 2 1 286.419 2.323 20 0 CEADMP O[C@]1(C[NH2+]CC2=CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634722028 368839801 /nfs/dbraw/zinc/83/98/01/368839801.db2.gz IWVBANCNASJCKV-SFHVURJKSA-N 2 1 286.419 2.323 20 0 CEADMP CCOCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666568 368840703 /nfs/dbraw/zinc/84/07/03/368840703.db2.gz GVGPJZJRDZKEKA-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000346694440 368777938 /nfs/dbraw/zinc/77/79/38/368777938.db2.gz UMFJKQPVUWGXQE-NWDGAFQWSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000346694440 368777941 /nfs/dbraw/zinc/77/79/41/368777941.db2.gz UMFJKQPVUWGXQE-NWDGAFQWSA-N 2 1 288.420 2.374 20 0 CEADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000348103920 368899827 /nfs/dbraw/zinc/89/98/27/368899827.db2.gz MYEHBAQDHUIDSJ-CABCVRRESA-N 2 1 268.445 2.248 20 0 CEADMP Cc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C2CC2)cc1 ZINC000348259623 368973326 /nfs/dbraw/zinc/97/33/26/368973326.db2.gz GWVAXZODEAKBGX-IRXDYDNUSA-N 2 1 274.408 2.102 20 0 CEADMP Cc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C2CC2)cc1 ZINC000348259623 368973329 /nfs/dbraw/zinc/97/33/29/368973329.db2.gz GWVAXZODEAKBGX-IRXDYDNUSA-N 2 1 274.408 2.102 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC1CC1 ZINC000348320045 369000659 /nfs/dbraw/zinc/00/06/59/369000659.db2.gz QGWMMHOXVPIKIJ-CVEARBPZSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(CO)c2ccccc2)CC[N@H+]1C ZINC000348333649 369008546 /nfs/dbraw/zinc/00/85/46/369008546.db2.gz OBBNLUHZPKAJFC-OIISXLGYSA-N 2 1 276.424 2.009 20 0 CEADMP O=C1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CCN1 ZINC000634979467 369008603 /nfs/dbraw/zinc/00/86/03/369008603.db2.gz FCYJCFXCRVNKND-GOEBONIOSA-N 2 1 293.455 2.042 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC12CC(C1)C[NH2+]2 ZINC000634993089 369022045 /nfs/dbraw/zinc/02/20/45/369022045.db2.gz KXMKPKZMNWQBFQ-IVMQYODDSA-N 2 1 299.462 2.335 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2cccs2)C[C@H]1C[NH3+] ZINC000634999385 369034002 /nfs/dbraw/zinc/03/40/02/369034002.db2.gz TYVWYEYQSXSNDD-VXGBXAGGSA-N 2 1 290.436 2.175 20 0 CEADMP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cnccn1 ZINC000635004642 369040335 /nfs/dbraw/zinc/04/03/35/369040335.db2.gz FSGHGLDBGNXXMS-HIFRSBDPSA-N 2 1 270.380 2.087 20 0 CEADMP C[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)C1C[NH2+]C1 ZINC000635006084 369043222 /nfs/dbraw/zinc/04/32/22/369043222.db2.gz XKFQOCDWRLMZHI-SSDOTTSWSA-N 2 1 264.316 2.464 20 0 CEADMP CC[C@@]1(CO)CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000187532213 369173794 /nfs/dbraw/zinc/17/37/94/369173794.db2.gz DOUIPEKSBTZRFD-MRXNPFEDSA-N 2 1 279.428 2.456 20 0 CEADMP CC[C@@]1(CO)CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000187532213 369173796 /nfs/dbraw/zinc/17/37/96/369173796.db2.gz DOUIPEKSBTZRFD-MRXNPFEDSA-N 2 1 279.428 2.456 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000349029769 369224189 /nfs/dbraw/zinc/22/41/89/369224189.db2.gz KCPPMTWFFPTWJX-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000349029769 369224193 /nfs/dbraw/zinc/22/41/93/369224193.db2.gz KCPPMTWFFPTWJX-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)[C@@H](C)C1 ZINC000635602023 369241154 /nfs/dbraw/zinc/24/11/54/369241154.db2.gz FHLZNBYZOKURHM-GJZGRUSLSA-N 2 1 297.487 2.153 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC000635602023 369241160 /nfs/dbraw/zinc/24/11/60/369241160.db2.gz FHLZNBYZOKURHM-GJZGRUSLSA-N 2 1 297.487 2.153 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC000635602023 369241162 /nfs/dbraw/zinc/24/11/62/369241162.db2.gz FHLZNBYZOKURHM-GJZGRUSLSA-N 2 1 297.487 2.153 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000349143478 369250462 /nfs/dbraw/zinc/25/04/62/369250462.db2.gz BLHDBSMQNKSGOD-CYBMUJFWSA-N 2 1 286.379 2.122 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1nccnc1C ZINC000187957270 369261297 /nfs/dbraw/zinc/26/12/97/369261297.db2.gz WQSFQFKYBIRFIY-AAEUAGOBSA-N 2 1 273.384 2.277 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](CC)CC[C@H]1CCOC1 ZINC000349383868 369315990 /nfs/dbraw/zinc/31/59/90/369315990.db2.gz MRYCEVSGFZCSFZ-HNNXBMFYSA-N 2 1 256.434 2.467 20 0 CEADMP CCCN(CC[NH+]1CCCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635920924 369405052 /nfs/dbraw/zinc/40/50/52/369405052.db2.gz DZZGPEJNSYUSPU-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635940792 369415017 /nfs/dbraw/zinc/41/50/17/369415017.db2.gz OEDOIYCLYFMPSX-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)OCC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000349887419 369439103 /nfs/dbraw/zinc/43/91/03/369439103.db2.gz ZFKKOEROADWKDW-IRXDYDNUSA-N 2 1 298.471 2.113 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(=O)N(C)C ZINC000189009994 369442444 /nfs/dbraw/zinc/44/24/44/369442444.db2.gz OQHUQYONMQSJIX-DZKIICNBSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(CO)cc2)CC1 ZINC000639082082 370955012 /nfs/dbraw/zinc/95/50/12/370955012.db2.gz NZNWBOVTQNAQBR-UHFFFAOYSA-N 2 1 274.408 2.239 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000358223989 370958568 /nfs/dbraw/zinc/95/85/68/370958568.db2.gz BISFUFQHIMMZOA-CVEARBPZSA-N 2 1 294.826 2.447 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000358223989 370958572 /nfs/dbraw/zinc/95/85/72/370958572.db2.gz BISFUFQHIMMZOA-CVEARBPZSA-N 2 1 294.826 2.447 20 0 CEADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358249663 370971183 /nfs/dbraw/zinc/97/11/83/370971183.db2.gz KTEMPUYCWCPWQT-RHSMWYFYSA-N 2 1 292.423 2.191 20 0 CEADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358249663 370971190 /nfs/dbraw/zinc/97/11/90/370971190.db2.gz KTEMPUYCWCPWQT-RHSMWYFYSA-N 2 1 292.423 2.191 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc(C)c1F ZINC000358254380 370974657 /nfs/dbraw/zinc/97/46/57/370974657.db2.gz PKSYXXXNFDCUPD-CZUORRHYSA-N 2 1 280.387 2.160 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc(C)c1F ZINC000358254380 370974661 /nfs/dbraw/zinc/97/46/61/370974661.db2.gz PKSYXXXNFDCUPD-CZUORRHYSA-N 2 1 280.387 2.160 20 0 CEADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000350067030 369496834 /nfs/dbraw/zinc/49/68/34/369496834.db2.gz CQGMXTXTJZTGET-NXHRZFHOSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000350067030 369496839 /nfs/dbraw/zinc/49/68/39/369496839.db2.gz CQGMXTXTJZTGET-NXHRZFHOSA-N 2 1 288.435 2.402 20 0 CEADMP C[NH+](C)CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000276276333 193267910 /nfs/dbraw/zinc/26/79/10/193267910.db2.gz DLDDBGBSGFGSKR-RCCFBDPRSA-N 2 1 287.451 2.048 20 0 CEADMP CN(C)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000276276333 193267912 /nfs/dbraw/zinc/26/79/12/193267912.db2.gz DLDDBGBSGFGSKR-RCCFBDPRSA-N 2 1 287.451 2.048 20 0 CEADMP CN(C)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000276276333 193267913 /nfs/dbraw/zinc/26/79/13/193267913.db2.gz DLDDBGBSGFGSKR-RCCFBDPRSA-N 2 1 287.451 2.048 20 0 CEADMP CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000352400024 369711325 /nfs/dbraw/zinc/71/13/25/369711325.db2.gz OITCAVVDRRSGBB-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC[C@H]1CCOC1=O ZINC000191511738 369720176 /nfs/dbraw/zinc/72/01/76/369720176.db2.gz OMEUMQGMUKDIBA-AWEZNQCLSA-N 2 1 293.411 2.111 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC[C@H]1CCOC1=O ZINC000191511738 369720181 /nfs/dbraw/zinc/72/01/81/369720181.db2.gz OMEUMQGMUKDIBA-AWEZNQCLSA-N 2 1 293.411 2.111 20 0 CEADMP CCCC[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000352391700 369706412 /nfs/dbraw/zinc/70/64/12/369706412.db2.gz NWBJXNONEFPFRU-HNNXBMFYSA-N 2 1 297.487 2.486 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCCS2)s1 ZINC000352748061 369866237 /nfs/dbraw/zinc/86/62/37/369866237.db2.gz GWAKNWGVUUBMSF-SNVBAGLBSA-N 2 1 271.455 2.190 20 0 CEADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000352756885 369869135 /nfs/dbraw/zinc/86/91/35/369869135.db2.gz RUHJBUAGVCLRRP-HNNXBMFYSA-N 2 1 278.444 2.186 20 0 CEADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000352756885 369869137 /nfs/dbraw/zinc/86/91/37/369869137.db2.gz RUHJBUAGVCLRRP-HNNXBMFYSA-N 2 1 278.444 2.186 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+]CC2(C)COC2)C1 ZINC000352777135 369875432 /nfs/dbraw/zinc/87/54/32/369875432.db2.gz ALEHMLBTUQDKOK-OKILXGFUSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]CC2(C)COC2)C1 ZINC000352777135 369875434 /nfs/dbraw/zinc/87/54/34/369875434.db2.gz ALEHMLBTUQDKOK-OKILXGFUSA-N 2 1 268.445 2.369 20 0 CEADMP CCOc1ccccc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193605705 369961034 /nfs/dbraw/zinc/96/10/34/369961034.db2.gz UISJVBYEXVCEKI-GASCZTMLSA-N 2 1 260.381 2.079 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193650479 369966810 /nfs/dbraw/zinc/96/68/10/369966810.db2.gz NBIHTCRDWVVTJN-GASCZTMLSA-N 2 1 260.381 2.079 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193650479 369966812 /nfs/dbraw/zinc/96/68/12/369966812.db2.gz NBIHTCRDWVVTJN-GASCZTMLSA-N 2 1 260.381 2.079 20 0 CEADMP CCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193650479 369966815 /nfs/dbraw/zinc/96/68/15/369966815.db2.gz NBIHTCRDWVVTJN-GASCZTMLSA-N 2 1 260.381 2.079 20 0 CEADMP CCOc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193650479 369966819 /nfs/dbraw/zinc/96/68/19/369966819.db2.gz NBIHTCRDWVVTJN-GASCZTMLSA-N 2 1 260.381 2.079 20 0 CEADMP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000194293215 370022585 /nfs/dbraw/zinc/02/25/85/370022585.db2.gz CKOVYEJDAKBBPG-CQSZACIVSA-N 2 1 262.401 2.194 20 0 CEADMP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000194293215 370022588 /nfs/dbraw/zinc/02/25/88/370022588.db2.gz CKOVYEJDAKBBPG-CQSZACIVSA-N 2 1 262.401 2.194 20 0 CEADMP C[N@@H+](Cc1cccc(F)c1N)C[C@H]1CCC[NH+](C)C1 ZINC000637930228 370178349 /nfs/dbraw/zinc/17/83/49/370178349.db2.gz LCYHYVNVXLUVNW-LBPRGKRZSA-N 2 1 265.376 2.182 20 0 CEADMP C[N@H+](Cc1cccc(F)c1N)C[C@H]1CCC[NH+](C)C1 ZINC000637930228 370178352 /nfs/dbraw/zinc/17/83/52/370178352.db2.gz LCYHYVNVXLUVNW-LBPRGKRZSA-N 2 1 265.376 2.182 20 0 CEADMP C[NH+](Cc1cccc(F)c1N)C[C@H]1CCC[N@H+](C)C1 ZINC000637930228 370178356 /nfs/dbraw/zinc/17/83/56/370178356.db2.gz LCYHYVNVXLUVNW-LBPRGKRZSA-N 2 1 265.376 2.182 20 0 CEADMP C[NH+](Cc1cccc(F)c1N)C[C@H]1CCC[N@@H+](C)C1 ZINC000637930228 370178359 /nfs/dbraw/zinc/17/83/59/370178359.db2.gz LCYHYVNVXLUVNW-LBPRGKRZSA-N 2 1 265.376 2.182 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C)[NH+]1CCCC1 ZINC000353931806 370142628 /nfs/dbraw/zinc/14/26/28/370142628.db2.gz KKTHFKHFZVPJDE-ZJIFWQFVSA-N 2 1 296.455 2.428 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)n[nH]c2C)C1 ZINC000353973377 370159827 /nfs/dbraw/zinc/15/98/27/370159827.db2.gz IHUVUGQCXNMGIW-CQSZACIVSA-N 2 1 264.417 2.190 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)n[nH]c2C)C1 ZINC000353973377 370159830 /nfs/dbraw/zinc/15/98/30/370159830.db2.gz IHUVUGQCXNMGIW-CQSZACIVSA-N 2 1 264.417 2.190 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)n[nH]c2C)C1 ZINC000353973377 370159833 /nfs/dbraw/zinc/15/98/33/370159833.db2.gz IHUVUGQCXNMGIW-CQSZACIVSA-N 2 1 264.417 2.190 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)n[nH]c2C)C1 ZINC000353973377 370159835 /nfs/dbraw/zinc/15/98/35/370159835.db2.gz IHUVUGQCXNMGIW-CQSZACIVSA-N 2 1 264.417 2.190 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC1CC[NH+](C(C)C)CC1 ZINC000353989176 370165224 /nfs/dbraw/zinc/16/52/24/370165224.db2.gz ZWGYMHGRGDFTLP-MRXNPFEDSA-N 2 1 267.461 2.323 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000354087545 370211637 /nfs/dbraw/zinc/21/16/37/370211637.db2.gz CCASAKAGGWTAHP-CYBMUJFWSA-N 2 1 283.441 2.076 20 0 CEADMP Cc1ccc(O)c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000354107991 370219552 /nfs/dbraw/zinc/21/95/52/370219552.db2.gz SMOHWIBUMCMRII-OAHLLOKOSA-N 2 1 289.423 2.259 20 0 CEADMP Cc1ccc(O)c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000354107991 370219557 /nfs/dbraw/zinc/21/95/57/370219557.db2.gz SMOHWIBUMCMRII-OAHLLOKOSA-N 2 1 289.423 2.259 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)n1 ZINC000354107991 370219562 /nfs/dbraw/zinc/21/95/62/370219562.db2.gz SMOHWIBUMCMRII-OAHLLOKOSA-N 2 1 289.423 2.259 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)n1 ZINC000354107991 370219567 /nfs/dbraw/zinc/21/95/67/370219567.db2.gz SMOHWIBUMCMRII-OAHLLOKOSA-N 2 1 289.423 2.259 20 0 CEADMP CC(C)[N@@H+](C)CCCNCc1ccc2c(c1)OCCO2 ZINC000221782621 370245068 /nfs/dbraw/zinc/24/50/68/370245068.db2.gz ZOFAIECWIBAMGC-UHFFFAOYSA-N 2 1 278.396 2.278 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000221782621 370245072 /nfs/dbraw/zinc/24/50/72/370245072.db2.gz ZOFAIECWIBAMGC-UHFFFAOYSA-N 2 1 278.396 2.278 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000221782621 370245073 /nfs/dbraw/zinc/24/50/73/370245073.db2.gz ZOFAIECWIBAMGC-UHFFFAOYSA-N 2 1 278.396 2.278 20 0 CEADMP CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000222231453 370251845 /nfs/dbraw/zinc/25/18/45/370251845.db2.gz BOXOFHNINDMJGC-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP CO[C@@](C)(C[N@@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000638028869 370252397 /nfs/dbraw/zinc/25/23/97/370252397.db2.gz JOLZIHAMGTUBLW-HNNXBMFYSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000354332197 370320819 /nfs/dbraw/zinc/32/08/19/370320819.db2.gz ULRLXWFLSPRAIK-LJISPDSOSA-N 2 1 284.444 2.284 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000354332197 370320820 /nfs/dbraw/zinc/32/08/20/370320820.db2.gz ULRLXWFLSPRAIK-LJISPDSOSA-N 2 1 284.444 2.284 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C12CCC2 ZINC000224105824 370276094 /nfs/dbraw/zinc/27/60/94/370276094.db2.gz PLIPFZVHKXTYIY-LJISPDSOSA-N 2 1 266.429 2.406 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C12CCC2 ZINC000224105824 370276096 /nfs/dbraw/zinc/27/60/96/370276096.db2.gz PLIPFZVHKXTYIY-LJISPDSOSA-N 2 1 266.429 2.406 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638066512 370276124 /nfs/dbraw/zinc/27/61/24/370276124.db2.gz INCVYNRFWCDFGL-MRXNPFEDSA-N 2 1 293.455 2.004 20 0 CEADMP CC[NH2+][C@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000638111620 370306553 /nfs/dbraw/zinc/30/65/53/370306553.db2.gz OJFCFUAGRYAXPI-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP CC[NH2+][C@@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000638111621 370307421 /nfs/dbraw/zinc/30/74/21/370307421.db2.gz OJFCFUAGRYAXPI-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP CC[C@](C)(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)OC ZINC000638181289 370361513 /nfs/dbraw/zinc/36/15/13/370361513.db2.gz YPELNLUNTUPTID-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000354383238 370341736 /nfs/dbraw/zinc/34/17/36/370341736.db2.gz GPNWMIXSPKBPEY-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000226437789 370343174 /nfs/dbraw/zinc/34/31/74/370343174.db2.gz QOJBKVKGDGHIJG-GJZGRUSLSA-N 2 1 254.418 2.267 20 0 CEADMP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000638284137 370422296 /nfs/dbraw/zinc/42/22/96/370422296.db2.gz DMDBEOUJDOOYBY-PMPSAXMXSA-N 2 1 295.471 2.224 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000638303788 370433881 /nfs/dbraw/zinc/43/38/81/370433881.db2.gz VLCIJBORMHTEGP-PMPSAXMXSA-N 2 1 295.471 2.288 20 0 CEADMP COC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000228168236 370398697 /nfs/dbraw/zinc/39/86/97/370398697.db2.gz ZFZGRSXIBZTPAX-JALIKCBVSA-N 2 1 252.402 2.016 20 0 CEADMP COC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000228168236 370398705 /nfs/dbraw/zinc/39/87/05/370398705.db2.gz ZFZGRSXIBZTPAX-JALIKCBVSA-N 2 1 252.402 2.016 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@H]21 ZINC000228535478 370405484 /nfs/dbraw/zinc/40/54/84/370405484.db2.gz DMOYZABDFABXIF-RBSFLKMASA-N 2 1 288.391 2.017 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000228537055 370407096 /nfs/dbraw/zinc/40/70/96/370407096.db2.gz BTLCDMKOOYSKKX-RRFJBIMHSA-N 2 1 290.407 2.263 20 0 CEADMP COc1cc(C[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)ccn1 ZINC000638321896 370445849 /nfs/dbraw/zinc/44/58/49/370445849.db2.gz RVIJOLYWJSLIHR-ZDUSSCGKSA-N 2 1 289.423 2.238 20 0 CEADMP CC(C)[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000354648142 370451462 /nfs/dbraw/zinc/45/14/62/370451462.db2.gz LYIWDYBGUAMHSO-SJORKVTESA-N 2 1 276.424 2.082 20 0 CEADMP CC(C)[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000354648142 370451469 /nfs/dbraw/zinc/45/14/69/370451469.db2.gz LYIWDYBGUAMHSO-SJORKVTESA-N 2 1 276.424 2.082 20 0 CEADMP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)sn1 ZINC000638335033 370453143 /nfs/dbraw/zinc/45/31/43/370453143.db2.gz IKNCVHRHUKNIJW-SNVBAGLBSA-N 2 1 280.397 2.083 20 0 CEADMP CO[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000638358493 370468334 /nfs/dbraw/zinc/46/83/34/370468334.db2.gz CLZHGSUGMYOACL-FUHWJXTLSA-N 2 1 288.435 2.318 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000638361947 370471035 /nfs/dbraw/zinc/47/10/35/370471035.db2.gz VYZFYVNGZKLAJI-FPCVCCKLSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000638361947 370471039 /nfs/dbraw/zinc/47/10/39/370471039.db2.gz VYZFYVNGZKLAJI-FPCVCCKLSA-N 2 1 295.471 2.286 20 0 CEADMP c1ccc2oc(C[NH2+]CCCC[NH+]3CCOCC3)nc2c1 ZINC000638371200 370478985 /nfs/dbraw/zinc/47/89/85/370478985.db2.gz QSDXYEGDICPXCL-UHFFFAOYSA-N 2 1 289.379 2.030 20 0 CEADMP CO[C@H](C[NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCOC1 ZINC000638366636 370475284 /nfs/dbraw/zinc/47/52/84/370475284.db2.gz PXSKNNLFMSQFPY-IXDOHACOSA-N 2 1 298.471 2.282 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]21 ZINC000230045121 370437491 /nfs/dbraw/zinc/43/74/91/370437491.db2.gz FYDULZZWYLORIM-VNQPRFMTSA-N 2 1 260.381 2.125 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccncc3Cl)C[C@@H]21 ZINC000230044845 370437649 /nfs/dbraw/zinc/43/76/49/370437649.db2.gz GHFTYHULTRYZST-VHRBIJSZSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccncc3Cl)C[C@@H]21 ZINC000230044845 370437652 /nfs/dbraw/zinc/43/76/52/370437652.db2.gz GHFTYHULTRYZST-VHRBIJSZSA-N 2 1 265.788 2.294 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000638410221 370509538 /nfs/dbraw/zinc/50/95/38/370509538.db2.gz XDOFFEYJFWIYFZ-LBPRGKRZSA-N 2 1 299.365 2.065 20 0 CEADMP CCC[N@H+]1CC[C@H](CNCc2cc(C3CC3)no2)C1 ZINC000638409682 370509724 /nfs/dbraw/zinc/50/97/24/370509724.db2.gz OLHXFSUEXAIPSX-GFCCVEGCSA-N 2 1 263.385 2.374 20 0 CEADMP CC[C@@H](C)[C@@H](C[NH2+]CCCn1cc[nH+]c1C)OC ZINC000638386495 370490361 /nfs/dbraw/zinc/49/03/61/370490361.db2.gz NLPAQXUUTBSVPG-TZMCWYRMSA-N 2 1 253.390 2.232 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]CCCn1cc[nH+]c1C)OC ZINC000638386493 370490447 /nfs/dbraw/zinc/49/04/47/370490447.db2.gz NLPAQXUUTBSVPG-JSGCOSHPSA-N 2 1 253.390 2.232 20 0 CEADMP CO[C@@H](C[NH2+]CCCn1cc[nH+]c1C)C1CCCC1 ZINC000638387780 370492335 /nfs/dbraw/zinc/49/23/35/370492335.db2.gz WSRHEQHGFWPYHS-HNNXBMFYSA-N 2 1 265.401 2.376 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC000638452034 370540499 /nfs/dbraw/zinc/54/04/99/370540499.db2.gz UEMHZTQERPPDQE-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)nc1 ZINC000355218447 370548436 /nfs/dbraw/zinc/54/84/36/370548436.db2.gz IQSMYNMZGIUYGX-IXDOHACOSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)nc1 ZINC000355218447 370548441 /nfs/dbraw/zinc/54/84/41/370548441.db2.gz IQSMYNMZGIUYGX-IXDOHACOSA-N 2 1 289.423 2.074 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000638502369 370575904 /nfs/dbraw/zinc/57/59/04/370575904.db2.gz BGFRYNCZARNMJO-KBPBESRZSA-N 2 1 279.428 2.341 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000638502369 370575907 /nfs/dbraw/zinc/57/59/07/370575907.db2.gz BGFRYNCZARNMJO-KBPBESRZSA-N 2 1 279.428 2.341 20 0 CEADMP CO[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCCC1 ZINC000638619392 370638150 /nfs/dbraw/zinc/63/81/50/370638150.db2.gz MFAUZRQKVIFOHU-IRXDYDNUSA-N 2 1 298.471 2.018 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000638618461 370638229 /nfs/dbraw/zinc/63/82/29/370638229.db2.gz HWPAIUGLYNSALA-NCOADZHNSA-N 2 1 280.456 2.249 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](COC)Cc2ccccc2)C1 ZINC000247021415 371049341 /nfs/dbraw/zinc/04/93/41/371049341.db2.gz LTLQJPLDVGCIHV-IAGOWNOFSA-N 2 1 276.424 2.176 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CC1(F)F ZINC000639125208 371003400 /nfs/dbraw/zinc/00/34/00/371003400.db2.gz XZBWYSOBCVBIRU-JHJVBQTASA-N 2 1 276.371 2.121 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000246771876 371007623 /nfs/dbraw/zinc/00/76/23/371007623.db2.gz BHJDVDNRWWZANH-KBUPBQIOSA-N 2 1 266.429 2.121 20 0 CEADMP C([C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1)[NH+]1CCCCC1 ZINC000246813596 371015450 /nfs/dbraw/zinc/01/54/50/371015450.db2.gz AAUWLFIUOGESFJ-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1(C)C ZINC000639136931 371015567 /nfs/dbraw/zinc/01/55/67/371015567.db2.gz QOVCFUQXYAWFTD-OAGGEKHMSA-N 2 1 279.472 2.038 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1C[NH+](C)C[C@@H]1C ZINC000358341000 371024425 /nfs/dbraw/zinc/02/44/25/371024425.db2.gz NGKXNBNOLFDMCQ-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1C[NH+](C)C[C@@H]1C ZINC000358341000 371024430 /nfs/dbraw/zinc/02/44/30/371024430.db2.gz NGKXNBNOLFDMCQ-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000358341000 371024436 /nfs/dbraw/zinc/02/44/36/371024436.db2.gz NGKXNBNOLFDMCQ-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000358341000 371024443 /nfs/dbraw/zinc/02/44/43/371024443.db2.gz NGKXNBNOLFDMCQ-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000358405724 371052173 /nfs/dbraw/zinc/05/21/73/371052173.db2.gz QDCMUBOMEUDVCP-WPPJOMGTSA-N 2 1 292.427 2.334 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@H+](C)C[C@H]3C)CC2)n1 ZINC000358405724 371052175 /nfs/dbraw/zinc/05/21/75/371052175.db2.gz QDCMUBOMEUDVCP-WPPJOMGTSA-N 2 1 292.427 2.334 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000639169653 371042425 /nfs/dbraw/zinc/04/24/25/371042425.db2.gz HXPRQUQFPMBBNT-GFCCVEGCSA-N 2 1 299.365 2.063 20 0 CEADMP CCC[C@H](C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)OC ZINC000639176405 371053513 /nfs/dbraw/zinc/05/35/13/371053513.db2.gz FZVILFRGNFWEGS-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000247116437 371066919 /nfs/dbraw/zinc/06/69/19/371066919.db2.gz XBVAKRXEQIHJIU-LJISPDSOSA-N 2 1 297.487 2.340 20 0 CEADMP CC(C)[NH+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000358608018 371136206 /nfs/dbraw/zinc/13/62/06/371136206.db2.gz ZXJKEHMUIYEAAV-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@@H+](C)CC(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000358567774 371121316 /nfs/dbraw/zinc/12/13/16/371121316.db2.gz YHIDDAWLOAKVGH-UHFFFAOYSA-N 2 1 272.352 2.153 20 0 CEADMP CCCN(C)CC(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000358567774 371121323 /nfs/dbraw/zinc/12/13/23/371121323.db2.gz YHIDDAWLOAKVGH-UHFFFAOYSA-N 2 1 272.352 2.153 20 0 CEADMP CCC[NH+]1CCC([NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC000164582175 541835680 /nfs/dbraw/zinc/83/56/80/541835680.db2.gz OQSBRVAMSSEHRV-UHFFFAOYSA-N 3 1 278.444 2.436 20 0 CEADMP OC/C=C\C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639309201 371215601 /nfs/dbraw/zinc/21/56/01/371215601.db2.gz QKMZVYPDITXQIK-ZFTGLFDFSA-N 2 1 286.419 2.493 20 0 CEADMP OC/C=C\C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639309201 371215603 /nfs/dbraw/zinc/21/56/03/371215603.db2.gz QKMZVYPDITXQIK-ZFTGLFDFSA-N 2 1 286.419 2.493 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248763011 371242838 /nfs/dbraw/zinc/24/28/38/371242838.db2.gz DVVIEKCCAXGKPX-KHEOEIQESA-N 2 1 265.445 2.074 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248763011 371242844 /nfs/dbraw/zinc/24/28/44/371242844.db2.gz DVVIEKCCAXGKPX-KHEOEIQESA-N 3 1 265.445 2.074 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248763011 371242851 /nfs/dbraw/zinc/24/28/51/371242851.db2.gz DVVIEKCCAXGKPX-KHEOEIQESA-N 3 1 265.445 2.074 20 0 CEADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000248843630 371254116 /nfs/dbraw/zinc/25/41/16/371254116.db2.gz ORXFJUJKDHFCLA-CYGHRXIMSA-N 2 1 290.451 2.217 20 0 CEADMP CC[C@@]1(O)CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000639382606 371293586 /nfs/dbraw/zinc/29/35/86/371293586.db2.gz UHHVOHUXOQNTPJ-MRXNPFEDSA-N 2 1 286.379 2.004 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N1CCC(C[NH+](C)C)CC1 ZINC000358930765 371271239 /nfs/dbraw/zinc/27/12/39/371271239.db2.gz JLMDWQDWCAPDMT-UHFFFAOYSA-N 2 1 291.395 2.036 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000639494614 371360533 /nfs/dbraw/zinc/36/05/33/371360533.db2.gz BVKWTLKTXPYVLN-ARFHVFGLSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@@H+](C[C@H]1CC(C)(C)CO1)C[C@@H]1CCC[NH+](C)C1 ZINC000639494802 371360706 /nfs/dbraw/zinc/36/07/06/371360706.db2.gz MCGJTLNYKUQOOF-ZIAGYGMSSA-N 2 1 254.418 2.075 20 0 CEADMP C[NH+](C[C@H]1CC(C)(C)CO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000639494802 371360708 /nfs/dbraw/zinc/36/07/08/371360708.db2.gz MCGJTLNYKUQOOF-ZIAGYGMSSA-N 2 1 254.418 2.075 20 0 CEADMP C[NH+](C[C@H]1CC(C)(C)CO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000639494802 371360710 /nfs/dbraw/zinc/36/07/10/371360710.db2.gz MCGJTLNYKUQOOF-ZIAGYGMSSA-N 2 1 254.418 2.075 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)[C@@H](C)C1 ZINC000249962426 371371968 /nfs/dbraw/zinc/37/19/68/371371968.db2.gz JUTLWWVRMRUURY-MJBXVCDLSA-N 2 1 254.418 2.264 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(C)n1 ZINC000359226580 371384004 /nfs/dbraw/zinc/38/40/04/371384004.db2.gz NOWNPYKOJJJXOQ-CQSZACIVSA-N 2 1 277.412 2.091 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(C)n1 ZINC000359226580 371384006 /nfs/dbraw/zinc/38/40/06/371384006.db2.gz NOWNPYKOJJJXOQ-CQSZACIVSA-N 2 1 277.412 2.091 20 0 CEADMP COCc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252866874 371485047 /nfs/dbraw/zinc/48/50/47/371485047.db2.gz QPEBODVGYOPJDX-YESZJQIVSA-N 2 1 274.408 2.392 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000359799791 371485161 /nfs/dbraw/zinc/48/51/61/371485161.db2.gz NHGVEHNJUGNMLH-UAGQMJEPSA-N 2 1 275.440 2.219 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252870239 371485288 /nfs/dbraw/zinc/48/52/88/371485288.db2.gz SGVGZSRPXSZGSG-VBNZEHGJSA-N 2 1 290.407 2.263 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000359395510 371459615 /nfs/dbraw/zinc/45/96/15/371459615.db2.gz VOEMFBSUWVNGHF-HUUCEWRRSA-N 2 1 282.815 2.303 20 0 CEADMP Clc1cccc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252667246 371465556 /nfs/dbraw/zinc/46/55/56/371465556.db2.gz HKMWBXVDLPLTKR-GJZGRUSLSA-N 2 1 280.799 2.293 20 0 CEADMP Clc1cccc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000252667246 371465558 /nfs/dbraw/zinc/46/55/58/371465558.db2.gz HKMWBXVDLPLTKR-GJZGRUSLSA-N 2 1 280.799 2.293 20 0 CEADMP C[C@H]1CC[C@@H](C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)O1 ZINC000639682908 371491671 /nfs/dbraw/zinc/49/16/71/371491671.db2.gz DFKCALUFTIFTPG-HOCLYGCPSA-N 2 1 275.396 2.161 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252851549 371482504 /nfs/dbraw/zinc/48/25/04/371482504.db2.gz IEHCLMNEKHNWBD-BHYGNILZSA-N 2 1 287.407 2.204 20 0 CEADMP C[C@H]1C[NH+](CC2(C[N@@H+]3C[C@H](C)[C@H](C)C3)COC2)C[C@H]1C ZINC000360017384 371499922 /nfs/dbraw/zinc/49/99/22/371499922.db2.gz QSGCOTPFPFHRAT-GEEKYZPCSA-N 2 1 280.456 2.179 20 0 CEADMP Cc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639754470 371545249 /nfs/dbraw/zinc/54/52/49/371545249.db2.gz ACQOJOUSIKPWFD-UHFFFAOYSA-N 2 1 259.397 2.308 20 0 CEADMP CO[C@@H](C[N@H+]1CCC2(C1)CC[NH+](C)CC2)C1CCC1 ZINC000639757253 371546439 /nfs/dbraw/zinc/54/64/39/371546439.db2.gz IEFHZRSSHFQRGX-HNNXBMFYSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CC[C@@H]3CCCCO3)C2)CC1 ZINC000639756250 371546454 /nfs/dbraw/zinc/54/64/54/371546454.db2.gz SWHSTQTXZPBRRW-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP Cc1nnc([C@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)s1 ZINC000639757104 371546779 /nfs/dbraw/zinc/54/67/79/371546779.db2.gz FLOKMDHPGOJZLD-NSHDSACASA-N 2 1 280.441 2.325 20 0 CEADMP Cc1nnc([C@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)s1 ZINC000639757104 371546783 /nfs/dbraw/zinc/54/67/83/371546783.db2.gz FLOKMDHPGOJZLD-NSHDSACASA-N 2 1 280.441 2.325 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)Cc3ccccc3)C2)CC1 ZINC000639755822 371546866 /nfs/dbraw/zinc/54/68/66/371546866.db2.gz OABUQBLTKGTBSM-KRWDZBQOSA-N 2 1 288.435 2.008 20 0 CEADMP CC1CCN(CC[N@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000639758446 371549198 /nfs/dbraw/zinc/54/91/98/371549198.db2.gz SZZUWBCDRQYHTJ-UHFFFAOYSA-N 2 1 279.472 2.136 20 0 CEADMP CC1CC[NH+](CCN2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000639758446 371549200 /nfs/dbraw/zinc/54/92/00/371549200.db2.gz SZZUWBCDRQYHTJ-UHFFFAOYSA-N 2 1 279.472 2.136 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000639766311 371555066 /nfs/dbraw/zinc/55/50/66/371555066.db2.gz LTGYCZPQBKZKCX-HZPDHXFCSA-N 2 1 266.429 2.264 20 0 CEADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000359994241 371497294 /nfs/dbraw/zinc/49/72/94/371497294.db2.gz QBCVAMGYUYSRKD-XJKSGUPXSA-N 2 1 262.397 2.168 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)C[NH+]2CCCCCC2)C1 ZINC000360008793 371498612 /nfs/dbraw/zinc/49/86/12/371498612.db2.gz ZBDNDMUOOAEBRC-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@@H+](CCC1CC[NH2+]CC1)CCC1CCOCC1 ZINC000258967355 371621121 /nfs/dbraw/zinc/62/11/21/371621121.db2.gz KBWQSIOSYUMTQE-UHFFFAOYSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@H]1[NH3+] ZINC000261559874 371648061 /nfs/dbraw/zinc/64/80/61/371648061.db2.gz XSWLNVIPJJNORA-IUODEOHRSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)CC[C@H]1[NH3+] ZINC000261559874 371648069 /nfs/dbraw/zinc/64/80/69/371648069.db2.gz XSWLNVIPJJNORA-IUODEOHRSA-N 2 1 255.365 2.404 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261575345 371657549 /nfs/dbraw/zinc/65/75/49/371657549.db2.gz BMSZXWJHXWSUIP-GDBMZVCRSA-N 2 1 260.381 2.058 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261575345 371657552 /nfs/dbraw/zinc/65/75/52/371657552.db2.gz BMSZXWJHXWSUIP-GDBMZVCRSA-N 2 1 260.381 2.058 20 0 CEADMP c1ccc(SCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261584897 371663195 /nfs/dbraw/zinc/66/31/95/371663195.db2.gz SPWHCKKEOHLTOF-KGLIPLIRSA-N 2 1 262.422 2.320 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)N2CCC[C@H]2C)CC1 ZINC000640018449 371738681 /nfs/dbraw/zinc/73/86/81/371738681.db2.gz WLZZFKFXYUXQBN-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000261734769 371713924 /nfs/dbraw/zinc/71/39/24/371713924.db2.gz RMIQRJUHSVKQKD-DZGCQCFKSA-N 2 1 290.407 2.196 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000261734769 371713927 /nfs/dbraw/zinc/71/39/27/371713927.db2.gz RMIQRJUHSVKQKD-DZGCQCFKSA-N 2 1 290.407 2.196 20 0 CEADMP CCOCC[C@H](O)C[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639985963 371714539 /nfs/dbraw/zinc/71/45/39/371714539.db2.gz GLHBXJVEOSKYCX-INIZCTEOSA-N 2 1 298.471 2.114 20 0 CEADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccnn2C)c1 ZINC000261758893 371721029 /nfs/dbraw/zinc/72/10/29/371721029.db2.gz CUXGOACPEKFAMJ-IYBDPMFKSA-N 2 1 296.418 2.047 20 0 CEADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261762818 371723366 /nfs/dbraw/zinc/72/33/66/371723366.db2.gz NWAVGAYUFCOGPE-BBRMVZONSA-N 2 1 293.842 2.381 20 0 CEADMP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261780710 371730716 /nfs/dbraw/zinc/73/07/16/371730716.db2.gz WUZYVNMKGOHTCO-TZMCWYRMSA-N 2 1 295.377 2.005 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC000640015789 371736251 /nfs/dbraw/zinc/73/62/51/371736251.db2.gz NUZXZBPMLQLVBG-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261804132 371737194 /nfs/dbraw/zinc/73/71/94/371737194.db2.gz PHGDAOLGXYDZTN-INIZCTEOSA-N 2 1 282.428 2.184 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@H](CC(F)(F)F)C2)CC[NH2+]C1 ZINC000261994290 371792536 /nfs/dbraw/zinc/79/25/36/371792536.db2.gz KOJKSMGEYFZPSV-GHMZBOCLSA-N 2 1 250.308 2.260 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261924153 371771912 /nfs/dbraw/zinc/77/19/12/371771912.db2.gz KWNDETZIJRLMDJ-OCCSQVGLSA-N 2 1 264.417 2.332 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261924153 371771923 /nfs/dbraw/zinc/77/19/23/371771923.db2.gz KWNDETZIJRLMDJ-OCCSQVGLSA-N 2 1 264.417 2.332 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000261993825 371793122 /nfs/dbraw/zinc/79/31/22/371793122.db2.gz NAYOQWMCTRIOHB-UHFFFAOYSA-N 2 1 299.422 2.089 20 0 CEADMP CC(C)[NH+](CCC[N@H+](C(C)C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000361408725 371831694 /nfs/dbraw/zinc/83/16/94/371831694.db2.gz QBYCBPODVHMBPP-IAGOWNOFSA-N 2 1 298.471 2.375 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000261998074 371795003 /nfs/dbraw/zinc/79/50/03/371795003.db2.gz TVBBLCHSTRHLPI-DZGCQCFKSA-N 2 1 276.428 2.097 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000262002246 371796475 /nfs/dbraw/zinc/79/64/75/371796475.db2.gz UEIVVECOCIKBGU-QWHCGFSZSA-N 2 1 288.370 2.181 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000262002246 371796487 /nfs/dbraw/zinc/79/64/87/371796487.db2.gz UEIVVECOCIKBGU-QWHCGFSZSA-N 2 1 288.370 2.181 20 0 CEADMP C[C@@]1(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)CC[NH2+]C1 ZINC000262004060 371797123 /nfs/dbraw/zinc/79/71/23/371797123.db2.gz LPUYURXCLXWMOL-JKSUJKDBSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000262034319 371805492 /nfs/dbraw/zinc/80/54/92/371805492.db2.gz XNFAFXRPPJYNPR-CYBMUJFWSA-N 2 1 258.369 2.020 20 0 CEADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000262034319 371805505 /nfs/dbraw/zinc/80/55/05/371805505.db2.gz XNFAFXRPPJYNPR-CYBMUJFWSA-N 2 1 258.369 2.020 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000262043085 371807708 /nfs/dbraw/zinc/80/77/08/371807708.db2.gz YPJFMGGXVODBKS-OAHLLOKOSA-N 2 1 284.407 2.351 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000262043085 371807719 /nfs/dbraw/zinc/80/77/19/371807719.db2.gz YPJFMGGXVODBKS-OAHLLOKOSA-N 2 1 284.407 2.351 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nccn3-c3ccccc3)C[C@H]21 ZINC000262048720 371813771 /nfs/dbraw/zinc/81/37/71/371813771.db2.gz ZIOUPQVVIILREC-DJIMGWMZSA-N 2 1 296.418 2.432 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nccn3-c3ccccc3)C[C@H]21 ZINC000262048720 371813784 /nfs/dbraw/zinc/81/37/84/371813784.db2.gz ZIOUPQVVIILREC-DJIMGWMZSA-N 2 1 296.418 2.432 20 0 CEADMP c1cn(-c2csc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)c2)cn1 ZINC000262128808 371826608 /nfs/dbraw/zinc/82/66/08/371826608.db2.gz XZGUFDRXBBGFSJ-OAHLLOKOSA-N 2 1 288.420 2.119 20 0 CEADMP c1ccc2c(c1)cccc2C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262391908 371857487 /nfs/dbraw/zinc/85/74/87/371857487.db2.gz BIKDWAOCNMPOHY-GOSISDBHSA-N 2 1 295.430 2.319 20 0 CEADMP Cc1oc2ccccc2c1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262540393 371873513 /nfs/dbraw/zinc/87/35/13/371873513.db2.gz QZFGHTUQBXLJRE-HNNXBMFYSA-N 2 1 299.418 2.221 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000262696615 371896257 /nfs/dbraw/zinc/89/62/57/371896257.db2.gz DXNWAAWNHVNRSG-RBSFLKMASA-N 2 1 283.460 2.131 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CSC)[C@H](C)C1 ZINC000361523883 371896943 /nfs/dbraw/zinc/89/69/43/371896943.db2.gz HDBLLASMYHWPJH-KFWWJZLASA-N 2 1 288.501 2.465 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCCO1 ZINC000640531443 372021452 /nfs/dbraw/zinc/02/14/52/372021452.db2.gz JBQGHMSHUZXQBA-OAHLLOKOSA-N 2 1 254.418 2.363 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCn1cccn1 ZINC000640530352 372021938 /nfs/dbraw/zinc/02/19/38/372021938.db2.gz CULOVRJCHNNISY-UHFFFAOYSA-N 2 1 264.417 2.081 20 0 CEADMP C[NH+]1CCC[C@H]2CN(CC[C@H]3CCCC[N@@H+]3C)CC[C@H]21 ZINC000361685074 372023311 /nfs/dbraw/zinc/02/33/11/372023311.db2.gz BZFLYNAOEPDRNU-GVDBMIGSSA-N 2 1 279.472 2.277 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000361685074 372023314 /nfs/dbraw/zinc/02/33/14/372023314.db2.gz BZFLYNAOEPDRNU-GVDBMIGSSA-N 2 1 279.472 2.277 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361685074 372023317 /nfs/dbraw/zinc/02/33/17/372023317.db2.gz BZFLYNAOEPDRNU-GVDBMIGSSA-N 2 1 279.472 2.277 20 0 CEADMP CCC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000361685103 372023373 /nfs/dbraw/zinc/02/33/73/372023373.db2.gz CEXSXOQEURQNTI-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP Cn1nccc1CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534725 372023645 /nfs/dbraw/zinc/02/36/45/372023645.db2.gz TWZBKUIOSKKCHJ-UHFFFAOYSA-N 2 1 278.444 2.161 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@@H]1CCCOC1 ZINC000640534010 372024589 /nfs/dbraw/zinc/02/45/89/372024589.db2.gz ZKVWZLBFHXACLM-OAHLLOKOSA-N 2 1 254.418 2.363 20 0 CEADMP CCC[N@@H+](CCCCF)CCN1CC[NH+](CC)CC1 ZINC000344168666 217084222 /nfs/dbraw/zinc/08/42/22/217084222.db2.gz NWXJYZIHUCFYAX-UHFFFAOYSA-N 2 1 273.440 2.086 20 0 CEADMP O[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000640488637 372007576 /nfs/dbraw/zinc/00/75/76/372007576.db2.gz VFCGPNXNAOOPOU-QZTJIDSGSA-N 2 1 286.419 2.239 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000344197977 217095308 /nfs/dbraw/zinc/09/53/08/217095308.db2.gz HDNFZDBAIZJYAH-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344197977 217095312 /nfs/dbraw/zinc/09/53/12/217095312.db2.gz HDNFZDBAIZJYAH-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344197977 217095316 /nfs/dbraw/zinc/09/53/16/217095316.db2.gz HDNFZDBAIZJYAH-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+](CCCN[C@@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000361816349 372084204 /nfs/dbraw/zinc/08/42/04/372084204.db2.gz XZRUJDWWSHYWQV-JKSUJKDBSA-N 2 1 269.477 2.425 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C(C)C ZINC000361816349 372084206 /nfs/dbraw/zinc/08/42/06/372084206.db2.gz XZRUJDWWSHYWQV-JKSUJKDBSA-N 3 1 269.477 2.425 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000361816349 372084209 /nfs/dbraw/zinc/08/42/09/372084209.db2.gz XZRUJDWWSHYWQV-JKSUJKDBSA-N 3 1 269.477 2.425 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344221598 217105825 /nfs/dbraw/zinc/10/58/25/217105825.db2.gz YZVVFCGPVROSBG-BBRMVZONSA-N 2 1 299.422 2.148 20 0 CEADMP CO[C@H](C)[C@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000268761715 372211489 /nfs/dbraw/zinc/21/14/89/372211489.db2.gz OIWWKFGCTHNRIF-LSDHHAIUSA-N 2 1 276.424 2.448 20 0 CEADMP CO[C@H](C)[C@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000268761715 372211493 /nfs/dbraw/zinc/21/14/93/372211493.db2.gz OIWWKFGCTHNRIF-LSDHHAIUSA-N 2 1 276.424 2.448 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000362099077 372220555 /nfs/dbraw/zinc/22/05/55/372220555.db2.gz OVYUVVGXPGHEFU-ZNMIVQPWSA-N 2 1 277.412 2.327 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000362099077 372220560 /nfs/dbraw/zinc/22/05/60/372220560.db2.gz OVYUVVGXPGHEFU-ZNMIVQPWSA-N 2 1 277.412 2.327 20 0 CEADMP C[C@H](CO)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268875567 372267972 /nfs/dbraw/zinc/26/79/72/372267972.db2.gz WKBFWNTXGWIDDR-AWEZNQCLSA-N 2 1 294.414 2.051 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2C)[C@H]1SC ZINC000362315450 372310492 /nfs/dbraw/zinc/31/04/92/372310492.db2.gz ABRWOHFKKUMWJW-RBSFLKMASA-N 2 1 297.468 2.470 20 0 CEADMP CN1CC[N@@H+](CC[C@H]2CCC[NH+]2C)Cc2ccccc21 ZINC000269130806 372351192 /nfs/dbraw/zinc/35/11/92/372351192.db2.gz KARTZLDJXMCUPY-MRXNPFEDSA-N 2 1 273.424 2.423 20 0 CEADMP CN1CC[NH+](CC[C@H]2CCC[N@@H+]2C)Cc2ccccc21 ZINC000269130806 372351194 /nfs/dbraw/zinc/35/11/94/372351194.db2.gz KARTZLDJXMCUPY-MRXNPFEDSA-N 2 1 273.424 2.423 20 0 CEADMP CN1CC[NH+](CC[C@H]2CCC[N@H+]2C)Cc2ccccc21 ZINC000269130806 372351195 /nfs/dbraw/zinc/35/11/95/372351195.db2.gz KARTZLDJXMCUPY-MRXNPFEDSA-N 2 1 273.424 2.423 20 0 CEADMP CN(C)c1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc[nH+]1 ZINC000269260063 372397574 /nfs/dbraw/zinc/39/75/74/372397574.db2.gz MDWYVXSVYNXNBK-YUTCNCBUSA-N 2 1 288.395 2.007 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000641168927 372362791 /nfs/dbraw/zinc/36/27/91/372362791.db2.gz IQYCWZLIVJRVMI-LSDHHAIUSA-N 2 1 291.443 2.008 20 0 CEADMP CC(C)[C@@H]([NH3+])c1cn(C[C@H]2CCCC[N@H+]2C(C)C)nn1 ZINC000641167089 372362809 /nfs/dbraw/zinc/36/28/09/372362809.db2.gz BACYJQWOOVDEOD-UKRRQHHQSA-N 2 1 279.432 2.197 20 0 CEADMP COCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000362655625 372474516 /nfs/dbraw/zinc/47/45/16/372474516.db2.gz OKTVUJOXFKBREZ-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP COCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000362655625 372474518 /nfs/dbraw/zinc/47/45/18/372474518.db2.gz OKTVUJOXFKBREZ-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP COCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000362655625 372474520 /nfs/dbraw/zinc/47/45/20/372474520.db2.gz OKTVUJOXFKBREZ-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP COCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000362655625 372474521 /nfs/dbraw/zinc/47/45/21/372474521.db2.gz OKTVUJOXFKBREZ-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CC(C)C ZINC000362763033 372516046 /nfs/dbraw/zinc/51/60/46/372516046.db2.gz OSPRXXOAFOBXFY-OWCLPIDISA-N 2 1 297.487 2.057 20 0 CEADMP Cc1nc(C)n([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000363459183 372638689 /nfs/dbraw/zinc/63/86/89/372638689.db2.gz IAOHAUKHQQZQPC-JKSUJKDBSA-N 2 1 291.443 2.016 20 0 CEADMP Cc1nc(C)n([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000363459183 372638695 /nfs/dbraw/zinc/63/86/95/372638695.db2.gz IAOHAUKHQQZQPC-JKSUJKDBSA-N 2 1 291.443 2.016 20 0 CEADMP Cc1nc(C)n([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000363459183 372638700 /nfs/dbraw/zinc/63/87/00/372638700.db2.gz IAOHAUKHQQZQPC-JKSUJKDBSA-N 2 1 291.443 2.016 20 0 CEADMP Cc1cccc(NC2CC[NH+](CCC3OCCO3)CC2)[nH+]1 ZINC000364104791 372666985 /nfs/dbraw/zinc/66/69/85/372666985.db2.gz AOBVGHGGTHGQGP-UHFFFAOYSA-N 2 1 291.395 2.029 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000270272150 372727382 /nfs/dbraw/zinc/72/73/82/372727382.db2.gz LJKDGSZHQDQRRF-YOEHRIQHSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000270272150 372727389 /nfs/dbraw/zinc/72/73/89/372727389.db2.gz LJKDGSZHQDQRRF-YOEHRIQHSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)nc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000270290332 372731880 /nfs/dbraw/zinc/73/18/80/372731880.db2.gz NHIPVLALCFINJM-UKRRQHHQSA-N 2 1 277.412 2.313 20 0 CEADMP C[C@H](CO)[N@H+]1CCCN(c2cc[nH+]c3ccccc32)CC1 ZINC000364263718 372712174 /nfs/dbraw/zinc/71/21/74/372712174.db2.gz CZDHADXDTFHPFG-CQSZACIVSA-N 2 1 285.391 2.128 20 0 CEADMP CC[N@H+](C)C[C@H]1CCN(Cc2cc(OC)cc(C)[nH+]2)C1 ZINC000270243119 372715062 /nfs/dbraw/zinc/71/50/62/372715062.db2.gz HXVACSKQGMNQCG-CQSZACIVSA-N 2 1 277.412 2.172 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc(OC)cc(C)[nH+]2)C1 ZINC000270243119 372715067 /nfs/dbraw/zinc/71/50/67/372715067.db2.gz HXVACSKQGMNQCG-CQSZACIVSA-N 2 1 277.412 2.172 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1ccns1)CC[NH2+]CC2 ZINC000641799059 372740145 /nfs/dbraw/zinc/74/01/45/372740145.db2.gz IWLCGTIMRKEVAJ-LLVKDONJSA-N 2 1 251.399 2.107 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000641798298 372740435 /nfs/dbraw/zinc/74/04/35/372740435.db2.gz FBRNCPZJNDPEAE-TUVASFSCSA-N 2 1 266.429 2.454 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000641800823 372744456 /nfs/dbraw/zinc/74/44/56/372744456.db2.gz GPHJLCAWYQHIAC-GHMZBOCLSA-N 2 1 284.201 2.060 20 0 CEADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(F)c(Cl)c2)C[C@@H]1[NH3+] ZINC000641802761 372745628 /nfs/dbraw/zinc/74/56/28/372745628.db2.gz OMIXHPFCBSXTDF-NWDGAFQWSA-N 2 1 299.777 2.133 20 0 CEADMP CC(C)c1ccc(NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641803406 372748004 /nfs/dbraw/zinc/74/80/04/372748004.db2.gz CMPUMPHBIAOKOC-CABCVRRESA-N 2 1 289.423 2.464 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641807762 372754697 /nfs/dbraw/zinc/75/46/97/372754697.db2.gz RVLLMELNTLCVDX-MJBXVCDLSA-N 2 1 283.460 2.033 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000176085265 284344429 /nfs/dbraw/zinc/34/44/29/284344429.db2.gz PTOGDNUSRQKVBO-QXSJWSMHSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000176085265 284344431 /nfs/dbraw/zinc/34/44/31/284344431.db2.gz PTOGDNUSRQKVBO-QXSJWSMHSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000176085265 284344435 /nfs/dbraw/zinc/34/44/35/284344435.db2.gz PTOGDNUSRQKVBO-QXSJWSMHSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000641823584 372767174 /nfs/dbraw/zinc/76/71/74/372767174.db2.gz SENRLMOOFIRMFP-ONGXEEELSA-N 2 1 284.306 2.320 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000641823584 372767183 /nfs/dbraw/zinc/76/71/83/372767183.db2.gz SENRLMOOFIRMFP-ONGXEEELSA-N 2 1 284.306 2.320 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000333190579 205103780 /nfs/dbraw/zinc/10/37/80/205103780.db2.gz UWKWLJQDSPZAJQ-UGUYLWEFSA-N 3 1 267.461 2.404 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2cccnc2)CC[N@H+]1C ZINC000344640258 217259374 /nfs/dbraw/zinc/25/93/74/217259374.db2.gz ZEIIGLXJNRHMNX-XJKSGUPXSA-N 2 1 299.422 2.054 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000353496093 220117807 /nfs/dbraw/zinc/11/78/07/220117807.db2.gz KLKJVDZORBVLIU-QZWWFDLISA-N 2 1 280.456 2.390 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCOC(C)(C)C2)cc1 ZINC000643058227 372938806 /nfs/dbraw/zinc/93/88/06/372938806.db2.gz ZABHPTCNLJFWAP-HNNXBMFYSA-N 2 1 292.423 2.238 20 0 CEADMP CC[N@@H+]1C[C@H](NCCC[NH+](C(C)C)C(C)C)[C@@H](C)C1 ZINC000344729426 217291121 /nfs/dbraw/zinc/29/11/21/217291121.db2.gz XPLHYTVWIZRANN-HOTGVXAUSA-N 2 1 269.477 2.425 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000353534812 220141655 /nfs/dbraw/zinc/14/16/55/220141655.db2.gz UUMFWKDSXNVDLK-SOUVJXGZSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000353534812 220141656 /nfs/dbraw/zinc/14/16/56/220141656.db2.gz UUMFWKDSXNVDLK-SOUVJXGZSA-N 2 1 299.422 2.401 20 0 CEADMP CC(C)c1nc([C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)no1 ZINC000333496424 205375422 /nfs/dbraw/zinc/37/54/22/205375422.db2.gz DWZSBTLHQPIWAR-KBPBESRZSA-N 2 1 292.427 2.372 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC000367472367 373159036 /nfs/dbraw/zinc/15/90/36/373159036.db2.gz JTLOWGDIMZAEAY-DLBZAZTESA-N 2 1 277.456 2.055 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000643511415 373172116 /nfs/dbraw/zinc/17/21/16/373172116.db2.gz GYRAGPGNIHVEFJ-ZNMIVQPWSA-N 2 1 254.418 2.441 20 0 CEADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC000643502378 373162329 /nfs/dbraw/zinc/16/23/29/373162329.db2.gz FACNESKRSRWNBY-KFWWJZLASA-N 2 1 276.428 2.178 20 0 CEADMP COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)C2 ZINC000643451931 373121434 /nfs/dbraw/zinc/12/14/34/373121434.db2.gz APGVBWNPYSFITK-WCQYABFASA-N 2 1 299.374 2.157 20 0 CEADMP CC[C@@H]([NH2+]CCc1nc(C)cs1)[C@@H]1CCC[NH2+]1 ZINC000643460780 373131072 /nfs/dbraw/zinc/13/10/72/373131072.db2.gz XXAHUWQEOOIMGU-NEPJUHHUSA-N 2 1 253.415 2.114 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1C ZINC000643464333 373132400 /nfs/dbraw/zinc/13/24/00/373132400.db2.gz GFEAJNAAFVAFBP-GJZGRUSLSA-N 2 1 264.417 2.269 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(CO)c1 ZINC000271966023 373236452 /nfs/dbraw/zinc/23/64/52/373236452.db2.gz MMYHZPSBVJFXNH-XKQJLSEDSA-N 2 1 274.408 2.456 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(CO)c1 ZINC000271966023 373236460 /nfs/dbraw/zinc/23/64/60/373236460.db2.gz MMYHZPSBVJFXNH-XKQJLSEDSA-N 2 1 274.408 2.456 20 0 CEADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000368608492 373249537 /nfs/dbraw/zinc/24/95/37/373249537.db2.gz PGCNJLNMNGAVBC-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)c1nccn1[C@H]1CCC[N@@H+](CC(C)(C)O)C1 ZINC000369032926 373316557 /nfs/dbraw/zinc/31/65/57/373316557.db2.gz UDVQAXGNMYHYGF-ZDUSSCGKSA-N 2 1 265.401 2.414 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@](C)([NH3+])CCC ZINC000353601185 220183849 /nfs/dbraw/zinc/18/38/49/220183849.db2.gz ZSRLQRWANBHNKB-GDBMZVCRSA-N 2 1 283.460 2.275 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272274778 373401875 /nfs/dbraw/zinc/40/18/75/373401875.db2.gz CAOBBDFHMPUKBP-BHYGNILZSA-N 2 1 274.408 2.276 20 0 CEADMP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@@]2(CCCOC2)O1 ZINC000369531337 373446813 /nfs/dbraw/zinc/44/68/13/373446813.db2.gz KNMGKWFNFPWKKN-BRWVUGGUSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@]2(CCCOC2)O1 ZINC000369531337 373446816 /nfs/dbraw/zinc/44/68/16/373446816.db2.gz KNMGKWFNFPWKKN-BRWVUGGUSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@]2(CCCOC2)O1 ZINC000369531337 373446820 /nfs/dbraw/zinc/44/68/20/373446820.db2.gz KNMGKWFNFPWKKN-BRWVUGGUSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@]2(CCCOC2)O1 ZINC000369531337 373446823 /nfs/dbraw/zinc/44/68/23/373446823.db2.gz KNMGKWFNFPWKKN-BRWVUGGUSA-N 2 1 296.455 2.131 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCCSC1 ZINC000272416825 373473978 /nfs/dbraw/zinc/47/39/78/373473978.db2.gz ASSCYKANXHQNHH-GFCCVEGCSA-N 2 1 251.399 2.133 20 0 CEADMP C[NH+]1CCC(NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000369704772 373492954 /nfs/dbraw/zinc/49/29/54/373492954.db2.gz RKTDYDVWDRLHGN-QGZVFWFLSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@@H](CC(=O)N(C)C)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000369721894 373497574 /nfs/dbraw/zinc/49/75/74/373497574.db2.gz PCIRLEDLPGQTSV-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC000369721894 373497581 /nfs/dbraw/zinc/49/75/81/373497581.db2.gz PCIRLEDLPGQTSV-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP OC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000644531053 373513345 /nfs/dbraw/zinc/51/33/45/373513345.db2.gz WXVZRYBGBKIHHR-KRWDZBQOSA-N 2 1 288.435 2.403 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000247183743 220220077 /nfs/dbraw/zinc/22/00/77/220220077.db2.gz VKCPUHIMZSMMRQ-SUMWQHHRSA-N 2 1 289.423 2.465 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000247183743 220220078 /nfs/dbraw/zinc/22/00/78/220220078.db2.gz VKCPUHIMZSMMRQ-SUMWQHHRSA-N 2 1 289.423 2.465 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Cn2ccnc2C)[C@@H](C)C1 ZINC000247185210 220220182 /nfs/dbraw/zinc/22/01/82/220220182.db2.gz ZLMRHYPJYSYUBI-YCPHGPKFSA-N 2 1 278.444 2.148 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000247185210 220220186 /nfs/dbraw/zinc/22/01/86/220220186.db2.gz ZLMRHYPJYSYUBI-YCPHGPKFSA-N 3 1 278.444 2.148 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000247185210 220220189 /nfs/dbraw/zinc/22/01/89/220220189.db2.gz ZLMRHYPJYSYUBI-YCPHGPKFSA-N 3 1 278.444 2.148 20 0 CEADMP CCc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)nc(C)n1 ZINC000272926053 373714233 /nfs/dbraw/zinc/71/42/33/373714233.db2.gz ULRIFYROSJLFPK-SMDDNHRTSA-N 2 1 262.401 2.124 20 0 CEADMP CCCCOC[C@H](O)C[N@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000370507858 373672154 /nfs/dbraw/zinc/67/21/54/373672154.db2.gz LZBSXEULSLLZKB-QGZVFWFLSA-N 2 1 298.471 2.113 20 0 CEADMP CCCCOC[C@H](O)C[N@@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000370507858 373672165 /nfs/dbraw/zinc/67/21/65/373672165.db2.gz LZBSXEULSLLZKB-QGZVFWFLSA-N 2 1 298.471 2.113 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272947995 373728794 /nfs/dbraw/zinc/72/87/94/373728794.db2.gz UWOSPGWLHYORFE-SQWLQELKSA-N 2 1 262.397 2.010 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272947995 373728800 /nfs/dbraw/zinc/72/88/00/373728800.db2.gz UWOSPGWLHYORFE-SQWLQELKSA-N 2 1 262.397 2.010 20 0 CEADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)o1 ZINC000371468288 373893415 /nfs/dbraw/zinc/89/34/15/373893415.db2.gz ANOAWRPUHSOFOX-FVQBIDKESA-N 2 1 278.396 2.272 20 0 CEADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)o1 ZINC000371468288 373893419 /nfs/dbraw/zinc/89/34/19/373893419.db2.gz ANOAWRPUHSOFOX-FVQBIDKESA-N 2 1 278.396 2.272 20 0 CEADMP COC(=O)C1CC[NH+](CCCNc2cccc(C)[nH+]2)CC1 ZINC000274554787 373958425 /nfs/dbraw/zinc/95/84/25/373958425.db2.gz ARIVPHNHEQOEGO-UHFFFAOYSA-N 2 1 291.395 2.077 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@H]([NH+](C)C)CC3)c2c1C ZINC000645226017 373931289 /nfs/dbraw/zinc/93/12/89/373931289.db2.gz MWFLEKWFNVVSHZ-ZDUSSCGKSA-N 2 1 287.411 2.495 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000372788047 374199026 /nfs/dbraw/zinc/19/90/26/374199026.db2.gz ZMMLONNHLJKEDF-ZBFHGGJFSA-N 2 1 274.408 2.264 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000372788047 374199031 /nfs/dbraw/zinc/19/90/31/374199031.db2.gz ZMMLONNHLJKEDF-ZBFHGGJFSA-N 2 1 274.408 2.264 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000372788047 374199038 /nfs/dbraw/zinc/19/90/38/374199038.db2.gz ZMMLONNHLJKEDF-ZBFHGGJFSA-N 2 1 274.408 2.264 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000372788047 374199045 /nfs/dbraw/zinc/19/90/45/374199045.db2.gz ZMMLONNHLJKEDF-ZBFHGGJFSA-N 2 1 274.408 2.264 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000372788047 374199049 /nfs/dbraw/zinc/19/90/49/374199049.db2.gz ZMMLONNHLJKEDF-ZBFHGGJFSA-N 2 1 274.408 2.264 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC[C@@H]2CCOC2)C1 ZINC000645811933 374200343 /nfs/dbraw/zinc/20/03/43/374200343.db2.gz ZUCXTZJYCLUSHQ-HZPDHXFCSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000645811933 374200350 /nfs/dbraw/zinc/20/03/50/374200350.db2.gz ZUCXTZJYCLUSHQ-HZPDHXFCSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645811933 374200356 /nfs/dbraw/zinc/20/03/56/374200356.db2.gz ZUCXTZJYCLUSHQ-HZPDHXFCSA-N 2 1 268.445 2.467 20 0 CEADMP Cc1cnccc1CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000645811674 374200656 /nfs/dbraw/zinc/20/06/56/374200656.db2.gz BCFDYPHFDRASFN-HOCLYGCPSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cnccc1CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000645811674 374200663 /nfs/dbraw/zinc/20/06/63/374200663.db2.gz BCFDYPHFDRASFN-HOCLYGCPSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cnccc1CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000645811674 374200671 /nfs/dbraw/zinc/20/06/71/374200671.db2.gz BCFDYPHFDRASFN-HOCLYGCPSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cnccc1CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000645811674 374200675 /nfs/dbraw/zinc/20/06/75/374200675.db2.gz BCFDYPHFDRASFN-HOCLYGCPSA-N 2 1 261.413 2.347 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CCC[C@H]1CCOC1)CC2 ZINC000645845216 374219849 /nfs/dbraw/zinc/21/98/49/374219849.db2.gz WLGQEMQESVBFPR-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CCC[C@H]1CCOC1)CC2 ZINC000645845216 374219860 /nfs/dbraw/zinc/21/98/60/374219860.db2.gz WLGQEMQESVBFPR-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP CC[NH+]1CCN(C[C@H](C)CNc2cc[nH+]c(C)c2)CC1 ZINC000276654436 374253364 /nfs/dbraw/zinc/25/33/64/374253364.db2.gz ZPFYLQJWOMISQR-CQSZACIVSA-N 2 1 276.428 2.076 20 0 CEADMP CN1Cc2ccccc2[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000373061141 374257211 /nfs/dbraw/zinc/25/72/11/374257211.db2.gz YOJXXBZONPQLLZ-MMNRESRNSA-N 2 1 285.435 2.388 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1C[NH+](C)Cc3ccccc31)C2 ZINC000373061141 374257217 /nfs/dbraw/zinc/25/72/17/374257217.db2.gz YOJXXBZONPQLLZ-MMNRESRNSA-N 2 1 285.435 2.388 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1C[NH+](C)Cc3ccccc31)C2 ZINC000373061141 374257224 /nfs/dbraw/zinc/25/72/24/374257224.db2.gz YOJXXBZONPQLLZ-MMNRESRNSA-N 2 1 285.435 2.388 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1C[N@H+](C)Cc3ccccc31)C2 ZINC000373061141 374257229 /nfs/dbraw/zinc/25/72/29/374257229.db2.gz YOJXXBZONPQLLZ-MMNRESRNSA-N 2 1 285.435 2.388 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1C[N@@H+](C)Cc3ccccc31)C2 ZINC000373061141 374257235 /nfs/dbraw/zinc/25/72/35/374257235.db2.gz YOJXXBZONPQLLZ-MMNRESRNSA-N 2 1 285.435 2.388 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](O)c2ccccc2C1 ZINC000373246140 374306053 /nfs/dbraw/zinc/30/60/53/374306053.db2.gz UAUYAEFGXZEMEH-DOTOQJQBSA-N 2 1 274.408 2.410 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](O)c2ccccc2C1 ZINC000373246140 374306060 /nfs/dbraw/zinc/30/60/60/374306060.db2.gz UAUYAEFGXZEMEH-DOTOQJQBSA-N 2 1 274.408 2.410 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000373246140 374306066 /nfs/dbraw/zinc/30/60/66/374306066.db2.gz UAUYAEFGXZEMEH-DOTOQJQBSA-N 2 1 274.408 2.410 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000373246140 374306071 /nfs/dbraw/zinc/30/60/71/374306071.db2.gz UAUYAEFGXZEMEH-DOTOQJQBSA-N 2 1 274.408 2.410 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000373514417 374370671 /nfs/dbraw/zinc/37/06/71/374370671.db2.gz GORSFMMXABYYEA-CVEARBPZSA-N 2 1 295.471 2.147 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373563346 374380776 /nfs/dbraw/zinc/38/07/76/374380776.db2.gz UJRRNQIBMLELOV-GUTXKFCHSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373563346 374380785 /nfs/dbraw/zinc/38/07/85/374380785.db2.gz UJRRNQIBMLELOV-GUTXKFCHSA-N 2 1 274.412 2.014 20 0 CEADMP Cc1nnc([C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000374075891 374482119 /nfs/dbraw/zinc/48/21/19/374482119.db2.gz XWTWCINZCYNIKK-GFCCVEGCSA-N 2 1 278.400 2.247 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnn3ccccc23)CC1 ZINC000277394410 374503010 /nfs/dbraw/zinc/50/30/10/374503010.db2.gz HDYYINDHPSOQKM-OAHLLOKOSA-N 2 1 272.396 2.250 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnn3ccccc23)CC1 ZINC000277394410 374503014 /nfs/dbraw/zinc/50/30/14/374503014.db2.gz HDYYINDHPSOQKM-OAHLLOKOSA-N 2 1 272.396 2.250 20 0 CEADMP CCOC1CC(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000375688430 374669189 /nfs/dbraw/zinc/66/91/89/374669189.db2.gz JQOABJBYGDLNLK-UHFFFAOYSA-N 2 1 266.429 2.362 20 0 CEADMP CCOC1CC(C[NH+]2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000375688430 374669194 /nfs/dbraw/zinc/66/91/94/374669194.db2.gz JQOABJBYGDLNLK-UHFFFAOYSA-N 2 1 266.429 2.362 20 0 CEADMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCCC3)C2 ZINC000376650828 374712687 /nfs/dbraw/zinc/71/26/87/374712687.db2.gz HRUMDIBOPURFKD-RRCSTGOVSA-N 2 1 287.407 2.135 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000684368450 541984595 /nfs/dbraw/zinc/98/45/95/541984595.db2.gz OVYDSFMKMBNHPK-AEGPPILISA-N 2 1 265.401 2.375 20 0 CEADMP COC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280595166 375255547 /nfs/dbraw/zinc/25/55/47/375255547.db2.gz WUESSOILDXMFMR-OIISXLGYSA-N 2 1 274.408 2.085 20 0 CEADMP COC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280595166 375255551 /nfs/dbraw/zinc/25/55/51/375255551.db2.gz WUESSOILDXMFMR-OIISXLGYSA-N 2 1 274.408 2.085 20 0 CEADMP COC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280595166 375255554 /nfs/dbraw/zinc/25/55/54/375255554.db2.gz WUESSOILDXMFMR-OIISXLGYSA-N 2 1 274.408 2.085 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)O1 ZINC000384554661 375211793 /nfs/dbraw/zinc/21/17/93/375211793.db2.gz GSUNSTWDKLEENS-TYMQMGKBSA-N 2 1 252.402 2.157 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](C)O1 ZINC000384554661 375211798 /nfs/dbraw/zinc/21/17/98/375211798.db2.gz GSUNSTWDKLEENS-TYMQMGKBSA-N 2 1 252.402 2.157 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)[C@@H](C)O1 ZINC000384677870 375213836 /nfs/dbraw/zinc/21/38/36/375213836.db2.gz ZTQBFEHUVSGRJU-YJNKXOJESA-N 2 1 254.418 2.406 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000281615104 375390255 /nfs/dbraw/zinc/39/02/55/375390255.db2.gz BNGSWLLTAQYUJQ-CYBMUJFWSA-N 2 1 269.392 2.319 20 0 CEADMP C[NH+]1CCC([NH2+]CCc2ccc3[nH]ccc3c2)CC1 ZINC000282412879 375479422 /nfs/dbraw/zinc/47/94/22/375479422.db2.gz QIMKARLDKQCKQE-UHFFFAOYSA-N 2 1 257.381 2.394 20 0 CEADMP Cc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000282417591 375480037 /nfs/dbraw/zinc/48/00/37/375480037.db2.gz QPSLYUBFXAZYLA-UHFFFAOYSA-N 2 1 289.467 2.419 20 0 CEADMP Cc1ccc(C)c(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000282541167 375513627 /nfs/dbraw/zinc/51/36/27/375513627.db2.gz ZSYCHOSSZSESSM-UHFFFAOYSA-N 2 1 289.467 2.419 20 0 CEADMP Oc1cccc2c(NCC[N@H+]3CCCOCC3)cc[nH+]c12 ZINC000684588787 542040048 /nfs/dbraw/zinc/04/00/48/542040048.db2.gz MYESRNFIQDPVGH-UHFFFAOYSA-N 2 1 287.363 2.075 20 0 CEADMP C[NH+]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)[C@@H]2CCC[C@H]21 ZINC000414194033 375801991 /nfs/dbraw/zinc/80/19/91/375801991.db2.gz UIIYEIMRJLARCU-YYIAUSFCSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000414194033 375801994 /nfs/dbraw/zinc/80/19/94/375801994.db2.gz UIIYEIMRJLARCU-YYIAUSFCSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000414194033 375801995 /nfs/dbraw/zinc/80/19/95/375801995.db2.gz UIIYEIMRJLARCU-YYIAUSFCSA-N 3 1 279.472 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)[C@@H]2CCC[C@H]21 ZINC000414194033 375801996 /nfs/dbraw/zinc/80/19/96/375801996.db2.gz UIIYEIMRJLARCU-YYIAUSFCSA-N 2 1 279.472 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@@H]2CCC[C@H]21 ZINC000414194033 375801997 /nfs/dbraw/zinc/80/19/97/375801997.db2.gz UIIYEIMRJLARCU-YYIAUSFCSA-N 2 1 279.472 2.181 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414197371 375802650 /nfs/dbraw/zinc/80/26/50/375802650.db2.gz WHYQSOABGKAGFT-UKRRQHHQSA-N 2 1 276.428 2.119 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](CCO)C2CCCCC2)CC[NH2+]1 ZINC000414667676 375910248 /nfs/dbraw/zinc/91/02/48/375910248.db2.gz HYYRLBQRBMIAML-UONOGXRCSA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCO1 ZINC000414762775 375953648 /nfs/dbraw/zinc/95/36/48/375953648.db2.gz BBVZLIOIMKZVPS-CAOSSQGBSA-N 2 1 266.429 2.123 20 0 CEADMP CCc1cnc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)s1 ZINC000414769289 375958954 /nfs/dbraw/zinc/95/89/54/375958954.db2.gz JSZHIXKTMVUHGH-HIFRSBDPSA-N 2 1 295.452 2.034 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)C1CC1 ZINC000414790930 375973436 /nfs/dbraw/zinc/97/34/36/375973436.db2.gz ATLSVBQLQUPCAC-GOSISDBHSA-N 2 1 297.402 2.488 20 0 CEADMP Cn1c2ccc(Cl)cc2nc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000414794919 375977896 /nfs/dbraw/zinc/97/78/96/375977896.db2.gz GFYVAQDYERDCEH-CMPLNLGQSA-N 2 1 292.814 2.444 20 0 CEADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414683582 375917315 /nfs/dbraw/zinc/91/73/15/375917315.db2.gz BNSXTOZEKMUWHH-BZUAXINKSA-N 2 1 297.487 2.377 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000414701251 375928818 /nfs/dbraw/zinc/92/88/18/375928818.db2.gz GKBGTVNTPSARFA-SOUVJXGZSA-N 2 1 264.417 2.139 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000414701251 375928823 /nfs/dbraw/zinc/92/88/23/375928823.db2.gz GKBGTVNTPSARFA-SOUVJXGZSA-N 2 1 264.417 2.139 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414706475 375931771 /nfs/dbraw/zinc/93/17/71/375931771.db2.gz MTGAUMWAKDNJAV-ARFHVFGLSA-N 2 1 295.471 2.084 20 0 CEADMP [NH3+]CCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000414722181 375939833 /nfs/dbraw/zinc/93/98/33/375939833.db2.gz KZCNKBWVSFIXMM-AWEZNQCLSA-N 3 1 279.453 2.041 20 0 CEADMP [NH3+]CCCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000414722181 375939840 /nfs/dbraw/zinc/93/98/40/375939840.db2.gz KZCNKBWVSFIXMM-AWEZNQCLSA-N 2 1 279.453 2.041 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@]3(CCCOC3)C2)CC[NH2+]1 ZINC000414739133 375945798 /nfs/dbraw/zinc/94/57/98/375945798.db2.gz JXTFINYMRHKVQW-OAGGEKHMSA-N 2 1 266.429 2.267 20 0 CEADMP CCc1nc(NCCC2CC[NH+](C)CC2)cc(C)[nH+]1 ZINC000286417369 375946729 /nfs/dbraw/zinc/94/67/29/375946729.db2.gz VFCCMZMQAKNRDX-UHFFFAOYSA-N 2 1 262.401 2.491 20 0 CEADMP C[C@@H]1[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCC12CCOCC2 ZINC000414749274 375949574 /nfs/dbraw/zinc/94/95/74/375949574.db2.gz VVQQJGWGVAWMEX-ILXRZTDVSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000414753190 375951202 /nfs/dbraw/zinc/95/12/02/375951202.db2.gz DIMUXTOYGAWVOY-MELADBBJSA-N 2 1 256.434 2.089 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000414753190 375951206 /nfs/dbraw/zinc/95/12/06/375951206.db2.gz DIMUXTOYGAWVOY-MELADBBJSA-N 2 1 256.434 2.089 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1OC(F)F ZINC000414806520 375991727 /nfs/dbraw/zinc/99/17/27/375991727.db2.gz ZMJGVZIIEAKDKN-NSHDSACASA-N 2 1 288.338 2.370 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000414804818 375991961 /nfs/dbraw/zinc/99/19/61/375991961.db2.gz XWEFJTDUVKIDPB-GFCCVEGCSA-N 2 1 264.398 2.211 20 0 CEADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414808715 375996159 /nfs/dbraw/zinc/99/61/59/375996159.db2.gz SRSNLPQXPJVGCQ-IAQYHMDHSA-N 2 1 250.361 2.474 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1cccc(Br)c1)C1CC1 ZINC000414800472 375985554 /nfs/dbraw/zinc/98/55/54/375985554.db2.gz KVJLGXPWNFAUNS-LBPRGKRZSA-N 2 1 269.186 2.276 20 0 CEADMP COc1ccncc1C[N@@H+](C)CCCn1ccnc1C ZINC000287613277 376275766 /nfs/dbraw/zinc/27/57/66/376275766.db2.gz DWIMGAMBPLBIKD-UHFFFAOYSA-N 2 1 274.368 2.117 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000419219424 376400546 /nfs/dbraw/zinc/40/05/46/376400546.db2.gz SQCXKSDDHGUISY-SOUVJXGZSA-N 2 1 256.434 2.462 20 0 CEADMP CO[C@H](CC(C)C)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000419219424 376400551 /nfs/dbraw/zinc/40/05/51/376400551.db2.gz SQCXKSDDHGUISY-SOUVJXGZSA-N 2 1 256.434 2.462 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000419219424 376400556 /nfs/dbraw/zinc/40/05/56/376400556.db2.gz SQCXKSDDHGUISY-SOUVJXGZSA-N 2 1 256.434 2.462 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000419219424 376400561 /nfs/dbraw/zinc/40/05/61/376400561.db2.gz SQCXKSDDHGUISY-SOUVJXGZSA-N 2 1 256.434 2.462 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000419219421 376399620 /nfs/dbraw/zinc/39/96/20/376399620.db2.gz SQCXKSDDHGUISY-RBSFLKMASA-N 2 1 256.434 2.462 20 0 CEADMP CO[C@H](CC(C)C)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000419219421 376399623 /nfs/dbraw/zinc/39/96/23/376399623.db2.gz SQCXKSDDHGUISY-RBSFLKMASA-N 2 1 256.434 2.462 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000419219421 376399628 /nfs/dbraw/zinc/39/96/28/376399628.db2.gz SQCXKSDDHGUISY-RBSFLKMASA-N 2 1 256.434 2.462 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000419219421 376399635 /nfs/dbraw/zinc/39/96/35/376399635.db2.gz SQCXKSDDHGUISY-RBSFLKMASA-N 2 1 256.434 2.462 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000305810964 376502132 /nfs/dbraw/zinc/50/21/32/376502132.db2.gz MEPLZWNQOVXXAX-CVEARBPZSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000305810964 376502140 /nfs/dbraw/zinc/50/21/40/376502140.db2.gz MEPLZWNQOVXXAX-CVEARBPZSA-N 2 1 279.428 2.455 20 0 CEADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000556951996 376525226 /nfs/dbraw/zinc/52/52/26/376525226.db2.gz LOOHIZQVQNBTCJ-IUODEOHRSA-N 2 1 293.386 2.275 20 0 CEADMP Cn1c(N[C@@H]2CCCC[C@@H]2C[NH3+])[nH+]c2cccc(F)c21 ZINC000420186710 376598817 /nfs/dbraw/zinc/59/88/17/376598817.db2.gz AWARCLUSYSJJCZ-ZYHUDNBSSA-N 2 1 276.359 2.064 20 0 CEADMP CCCC[C@@H](C[NH3+])Nc1[nH+]c2cccc(F)c2n1C ZINC000420208115 376615481 /nfs/dbraw/zinc/61/54/81/376615481.db2.gz ROWCENTWVQFECS-JTQLQIEISA-N 2 1 264.348 2.064 20 0 CEADMP C(CC1CCOCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000310651663 376630617 /nfs/dbraw/zinc/63/06/17/376630617.db2.gz YQXDQXAHGDQWPD-LSDHHAIUSA-N 2 1 252.402 2.020 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000558697567 376634827 /nfs/dbraw/zinc/63/48/27/376634827.db2.gz JSAYCOHJYYUBJX-GXTWGEPZSA-N 2 1 253.365 2.471 20 0 CEADMP COCC1(C[NH2+]CC2([NH+](C)C)CCCC2)CCC1 ZINC000310871399 376640106 /nfs/dbraw/zinc/64/01/06/376640106.db2.gz UGEFQANQGIWIIZ-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP C[N@@H+](CCc1cn[nH]c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290174469 376672891 /nfs/dbraw/zinc/67/28/91/376672891.db2.gz YPSRPFFBFQTMIT-GOSISDBHSA-N 2 1 298.434 2.406 20 0 CEADMP C[N@@H+](CC[C@H](O)c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000290181331 376674345 /nfs/dbraw/zinc/67/43/45/376674345.db2.gz FIUCUVZSDHTHBY-RDJZCZTQSA-N 2 1 276.424 2.384 20 0 CEADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCCC3CCCC3)C2)nn1 ZINC000420384387 376683567 /nfs/dbraw/zinc/68/35/67/376683567.db2.gz RRSAMDZSRBHQFR-MRXNPFEDSA-N 2 1 291.443 2.344 20 0 CEADMP CN(CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420388331 376687212 /nfs/dbraw/zinc/68/72/12/376687212.db2.gz WRGSFNOOJYAYGA-KRWDZBQOSA-N 2 1 273.424 2.198 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1 ZINC000290440309 376779120 /nfs/dbraw/zinc/77/91/20/376779120.db2.gz LTQGKPHFHIJECK-DYVFJYSZSA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290440309 376779130 /nfs/dbraw/zinc/77/91/30/376779130.db2.gz LTQGKPHFHIJECK-DYVFJYSZSA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290440309 376779134 /nfs/dbraw/zinc/77/91/34/376779134.db2.gz LTQGKPHFHIJECK-DYVFJYSZSA-N 2 1 289.423 2.417 20 0 CEADMP C[C@H](CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000314937180 376788902 /nfs/dbraw/zinc/78/89/02/376788902.db2.gz XXWZBGXFRKWVNY-SJLPKXTDSA-N 2 1 287.451 2.160 20 0 CEADMP COc1ccc(OC)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000315064252 376791759 /nfs/dbraw/zinc/79/17/59/376791759.db2.gz DTCMHLDCLUJIQI-OKILXGFUSA-N 2 1 290.407 2.135 20 0 CEADMP Cc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000280067685 542116706 /nfs/dbraw/zinc/11/67/06/542116706.db2.gz KUNJFRZFQPQGTN-XNRPHZJLSA-N 2 1 261.413 2.251 20 0 CEADMP CO[C@@H](C)C[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685447529 542140320 /nfs/dbraw/zinc/14/03/20/542140320.db2.gz RWTBBTBTAJOJKO-AWEZNQCLSA-N 2 1 280.412 2.094 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)ncn2C ZINC000290544452 376826053 /nfs/dbraw/zinc/82/60/53/376826053.db2.gz RKSVTOSUMASTFR-XJKSGUPXSA-N 2 1 286.423 2.345 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)ncn2C ZINC000290544452 376826060 /nfs/dbraw/zinc/82/60/60/376826060.db2.gz RKSVTOSUMASTFR-XJKSGUPXSA-N 2 1 286.423 2.345 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c(c1)ncn2C ZINC000290544452 376826067 /nfs/dbraw/zinc/82/60/67/376826067.db2.gz RKSVTOSUMASTFR-XJKSGUPXSA-N 2 1 286.423 2.345 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2c(c1)ncn2C ZINC000290544452 376826076 /nfs/dbraw/zinc/82/60/76/376826076.db2.gz RKSVTOSUMASTFR-XJKSGUPXSA-N 2 1 286.423 2.345 20 0 CEADMP CN(C)c1ncc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)s1 ZINC000685470649 542146656 /nfs/dbraw/zinc/14/66/56/542146656.db2.gz BTWXEKIGILZXJO-GXTWGEPZSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)s1 ZINC000685470649 542146657 /nfs/dbraw/zinc/14/66/57/542146657.db2.gz BTWXEKIGILZXJO-GXTWGEPZSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000685470649 542146658 /nfs/dbraw/zinc/14/66/58/542146658.db2.gz BTWXEKIGILZXJO-GXTWGEPZSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)s1 ZINC000685470649 542146660 /nfs/dbraw/zinc/14/66/60/542146660.db2.gz BTWXEKIGILZXJO-GXTWGEPZSA-N 2 1 294.468 2.125 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422975321 376898454 /nfs/dbraw/zinc/89/84/54/376898454.db2.gz SKXHMQFXTPGODT-KBRIMQKVSA-N 3 1 273.424 2.453 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOCC1CCC1 ZINC000562279328 376857215 /nfs/dbraw/zinc/85/72/15/376857215.db2.gz RGLKWDLGRYAFRD-UHFFFAOYSA-N 2 1 263.385 2.054 20 0 CEADMP C[C@H]([NH2+]CCOC1CCCCC1)c1c[nH+]ccc1N ZINC000422942157 376869045 /nfs/dbraw/zinc/86/90/45/376869045.db2.gz IVUOMQHEPGIMFP-LBPRGKRZSA-N 2 1 263.385 2.494 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422997039 376915049 /nfs/dbraw/zinc/91/50/49/376915049.db2.gz NDJKQNCOPFTVIG-XHSDSOJGSA-N 2 1 267.461 2.227 20 0 CEADMP CC[N@H+](CCN[C@H](C)[C@@H]1CCCC[NH2+]1)CCC(F)(F)F ZINC000423083581 376976337 /nfs/dbraw/zinc/97/63/37/376976337.db2.gz ZATJXJOPQVTYMW-OLZOCXBDSA-N 2 1 295.393 2.381 20 0 CEADMP CC[N@@H+](CCN[C@H](C)[C@@H]1CCCC[NH2+]1)CCC(F)(F)F ZINC000423083581 376976349 /nfs/dbraw/zinc/97/63/49/376976349.db2.gz ZATJXJOPQVTYMW-OLZOCXBDSA-N 2 1 295.393 2.381 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423003157 376921898 /nfs/dbraw/zinc/92/18/98/376921898.db2.gz KTNFEAQYXFYTCL-BXUZGUMPSA-N 2 1 265.401 2.188 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1Cl ZINC000423005584 376924542 /nfs/dbraw/zinc/92/45/42/376924542.db2.gz SIBSMAKFNXDZIP-RYUDHWBXSA-N 2 1 254.761 2.188 20 0 CEADMP CC(C)[NH+]1CCC(NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000562580042 376936838 /nfs/dbraw/zinc/93/68/38/376936838.db2.gz OQBWHSDFBBQWPS-KRWDZBQOSA-N 2 1 279.472 2.466 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCCN2C2CC2)CC1 ZINC000562580042 376936853 /nfs/dbraw/zinc/93/68/53/376936853.db2.gz OQBWHSDFBBQWPS-KRWDZBQOSA-N 2 1 279.472 2.466 20 0 CEADMP CO[C@H](CC[NH2+][C@H](C)c1c[nH+]ccc1N)C(F)(F)F ZINC000423066669 376957757 /nfs/dbraw/zinc/95/77/57/376957757.db2.gz FDYOHVQUONTPNK-LDYMZIIASA-N 2 1 277.290 2.112 20 0 CEADMP COc1cccc(Cl)c1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423071195 376964635 /nfs/dbraw/zinc/96/46/35/376964635.db2.gz OFBKMQHQWSCBKC-SCDSUCTJSA-N 2 1 298.814 2.191 20 0 CEADMP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423118560 377013683 /nfs/dbraw/zinc/01/36/83/377013683.db2.gz BELOVHGPCYBFMU-ITDIGPHOSA-N 2 1 264.344 2.379 20 0 CEADMP Oc1cccnc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000562901366 377019656 /nfs/dbraw/zinc/01/96/56/377019656.db2.gz LCWGCFOLOHKQCP-BBRMVZONSA-N 2 1 287.407 2.236 20 0 CEADMP Oc1cccnc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000562901366 377019664 /nfs/dbraw/zinc/01/96/64/377019664.db2.gz LCWGCFOLOHKQCP-BBRMVZONSA-N 2 1 287.407 2.236 20 0 CEADMP Oc1cccnc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000562901366 377019670 /nfs/dbraw/zinc/01/96/70/377019670.db2.gz LCWGCFOLOHKQCP-BBRMVZONSA-N 2 1 287.407 2.236 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1c[nH+]ccc1N ZINC000423123066 377020885 /nfs/dbraw/zinc/02/08/85/377020885.db2.gz LYBDNBRIOUEZJA-NEPJUHHUSA-N 2 1 269.348 2.321 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cc(F)cc1F ZINC000423126531 377024855 /nfs/dbraw/zinc/02/48/55/377024855.db2.gz AVJXBQHOQOVXLQ-ISVAXAHUSA-N 2 1 258.287 2.321 20 0 CEADMP COCC1(CC[NH2+][C@H](C)c2c[nH+]ccc2N)CCC1 ZINC000423132993 377032149 /nfs/dbraw/zinc/03/21/49/377032149.db2.gz JUWJAGMUAYKAEX-GFCCVEGCSA-N 2 1 263.385 2.352 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1([NH3+])CCCCCC1 ZINC000562956132 377034332 /nfs/dbraw/zinc/03/43/32/377034332.db2.gz HLTHVTWIBLJCHR-CQSZACIVSA-N 2 1 276.428 2.439 20 0 CEADMP C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1c[nH+]ccc1N ZINC000562959024 377036635 /nfs/dbraw/zinc/03/66/35/377036635.db2.gz OQKQHELJUNNNDQ-NSHDSACASA-N 2 1 285.347 2.116 20 0 CEADMP C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000562959531 377036936 /nfs/dbraw/zinc/03/69/36/377036936.db2.gz WTDRBNJJHLCTEX-YJNKEBTESA-N 2 1 274.408 2.464 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423141693 377039265 /nfs/dbraw/zinc/03/92/65/377039265.db2.gz RIQAZPZCTSBIQY-RBSFLKMASA-N 2 1 255.450 2.214 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423141690 377040119 /nfs/dbraw/zinc/04/01/19/377040119.db2.gz RIQAZPZCTSBIQY-KFWWJZLASA-N 2 1 255.450 2.214 20 0 CEADMP C1=C(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCC1 ZINC000423143905 377042131 /nfs/dbraw/zinc/04/21/31/377042131.db2.gz FLRVNKQYFDYKGC-OAGGEKHMSA-N 2 1 264.413 2.234 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000423095449 376988943 /nfs/dbraw/zinc/98/89/43/376988943.db2.gz MGUNMAWFFIKCGK-DZKIICNBSA-N 2 1 267.461 2.499 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n(C)n1 ZINC000423097924 376991249 /nfs/dbraw/zinc/99/12/49/376991249.db2.gz BRXKZMAWNRXBAK-ARFHVFGLSA-N 2 1 276.428 2.129 20 0 CEADMP CSc1cccc(F)c1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423103817 376996667 /nfs/dbraw/zinc/99/66/67/376996667.db2.gz LJZCNATZEPBCDS-VHRBIJSZSA-N 2 1 298.427 2.390 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423110042 377003840 /nfs/dbraw/zinc/00/38/40/377003840.db2.gz OMKZBYGTSXSQIM-NJAFHUGGSA-N 2 1 289.467 2.409 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000423113175 377007720 /nfs/dbraw/zinc/00/77/20/377007720.db2.gz KKGHLNMLZYKADK-WBMJQRKESA-N 2 1 257.381 2.298 20 0 CEADMP C[C@@H]([NH2+]CC1(c2ccccn2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423114758 377009412 /nfs/dbraw/zinc/00/94/12/377009412.db2.gz WGEBDBAMUXERPL-KGLIPLIRSA-N 2 1 259.397 2.233 20 0 CEADMP [NH3+]CCC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000423196036 377110062 /nfs/dbraw/zinc/11/00/62/377110062.db2.gz ULCHXSKMKKGCHS-OAHLLOKOSA-N 2 1 259.328 2.249 20 0 CEADMP Cc1ccc(F)c(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000423153314 377054422 /nfs/dbraw/zinc/05/44/22/377054422.db2.gz NCXADSSETRTVII-DOMZBBRYSA-N 2 1 250.361 2.407 20 0 CEADMP Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1C ZINC000423160967 377068117 /nfs/dbraw/zinc/06/81/17/377068117.db2.gz IFENIHNCPOSECS-HOCLYGCPSA-N 2 1 299.418 2.365 20 0 CEADMP CC[C@H]([NH2+]CCOCC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423167344 377071797 /nfs/dbraw/zinc/07/17/97/377071797.db2.gz SENWRDPWSZENBT-GJZGRUSLSA-N 2 1 254.418 2.313 20 0 CEADMP C[C@@H]([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423166695 377072664 /nfs/dbraw/zinc/07/26/64/377072664.db2.gz VUTPNOWDHABXBW-BFHYXJOUSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@@H]([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423166695 377072670 /nfs/dbraw/zinc/07/26/70/377072670.db2.gz VUTPNOWDHABXBW-BFHYXJOUSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@H]([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423166700 377072760 /nfs/dbraw/zinc/07/27/60/377072760.db2.gz VUTPNOWDHABXBW-MGPQQGTHSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@H]([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423166700 377072769 /nfs/dbraw/zinc/07/27/69/377072769.db2.gz VUTPNOWDHABXBW-MGPQQGTHSA-N 2 1 254.443 2.346 20 0 CEADMP c1[nH+]cn2cc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccc12 ZINC000423170719 377076677 /nfs/dbraw/zinc/07/66/77/377076677.db2.gz MURBOHZJWBFCEY-BRWVUGGUSA-N 2 1 284.407 2.345 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423269547 377189666 /nfs/dbraw/zinc/18/96/66/377189666.db2.gz HEBJBUPPGRCOJB-LSDHHAIUSA-N 2 1 286.423 2.438 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1nc2ccccc2n1C ZINC000423212047 377128431 /nfs/dbraw/zinc/12/84/31/377128431.db2.gz LMWIDJIYBHNLAX-CHWSQXEVSA-N 2 1 272.396 2.224 20 0 CEADMP c1ccc(C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2cccnc2)nc1 ZINC000423213274 377129091 /nfs/dbraw/zinc/12/90/91/377129091.db2.gz NFXFGUICNPERPI-CRAIPNDOSA-N 2 1 296.418 2.350 20 0 CEADMP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423218832 377134430 /nfs/dbraw/zinc/13/44/30/377134430.db2.gz VCTNNAQFMWTDJT-CVEARBPZSA-N 2 1 262.397 2.179 20 0 CEADMP C[NH2+]CC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000423240955 377159378 /nfs/dbraw/zinc/15/93/78/377159378.db2.gz HMROBWVMRVSBDE-SECBINFHSA-N 2 1 289.192 2.328 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423274621 377197926 /nfs/dbraw/zinc/19/79/26/377197926.db2.gz MEGJTOPZJYADKI-GJZGRUSLSA-N 2 1 293.455 2.133 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000423267056 377183835 /nfs/dbraw/zinc/18/38/35/377183835.db2.gz DRUJRLYLTRZPIK-DZGCQCFKSA-N 2 1 277.412 2.367 20 0 CEADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(OC)c(OC)c1 ZINC000423284223 377211436 /nfs/dbraw/zinc/21/14/36/377211436.db2.gz WRNGPXBXFPENKP-KGLIPLIRSA-N 2 1 278.396 2.482 20 0 CEADMP [NH3+]C[C@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)C1CC1 ZINC000423285197 377214737 /nfs/dbraw/zinc/21/47/37/377214737.db2.gz XZGZZQHFIREAQZ-HNNXBMFYSA-N 2 1 295.377 2.261 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc2c(c1)OCCCO2 ZINC000423287192 377217419 /nfs/dbraw/zinc/21/74/19/377217419.db2.gz KTRLAXCGCHCXRL-LLVKDONJSA-N 2 1 264.369 2.236 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000423295631 377224493 /nfs/dbraw/zinc/22/44/93/377224493.db2.gz XDEPVKRAZYIJHN-HEHGZKQESA-N 3 1 261.413 2.136 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000423295631 377224504 /nfs/dbraw/zinc/22/45/04/377224504.db2.gz XDEPVKRAZYIJHN-HEHGZKQESA-N 2 1 261.413 2.136 20 0 CEADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423304221 377232669 /nfs/dbraw/zinc/23/26/69/377232669.db2.gz NPWQUDVNTGWGNG-SECBINFHSA-N 2 1 253.415 2.445 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cccc(Cl)c1F ZINC000423307893 377237383 /nfs/dbraw/zinc/23/73/83/377237383.db2.gz NWDZGWIAHFJJSS-JOYOIKCWSA-N 2 1 274.767 2.351 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)ccc1F ZINC000423315086 377245704 /nfs/dbraw/zinc/24/57/04/377245704.db2.gz IJIPIMUSNSTEOD-TVQRCGJNSA-N 2 1 252.333 2.222 20 0 CEADMP C[C@@H]([NH2+]CCCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423323371 377254968 /nfs/dbraw/zinc/25/49/68/377254968.db2.gz JGQNTSAEHAKMMR-WBVHZDCISA-N 3 1 275.440 2.226 20 0 CEADMP C[C@@H]([NH2+]CCCC[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000423323371 377254972 /nfs/dbraw/zinc/25/49/72/377254972.db2.gz JGQNTSAEHAKMMR-WBVHZDCISA-N 2 1 275.440 2.226 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423323193 377255579 /nfs/dbraw/zinc/25/55/79/377255579.db2.gz ACQWROHBICTFAG-FZMZJTMJSA-N 2 1 251.349 2.261 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1F ZINC000423323810 377256283 /nfs/dbraw/zinc/25/62/83/377256283.db2.gz OVJZADZHESKWEL-TVQRCGJNSA-N 2 1 252.333 2.222 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H](NCC3C[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423333317 377262051 /nfs/dbraw/zinc/26/20/51/377262051.db2.gz VUTIQUHHWHCAIA-FHWLQOOXSA-N 2 1 299.462 2.239 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3C[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423333317 377262058 /nfs/dbraw/zinc/26/20/58/377262058.db2.gz VUTIQUHHWHCAIA-FHWLQOOXSA-N 3 1 299.462 2.239 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3C[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423333317 377262068 /nfs/dbraw/zinc/26/20/68/377262068.db2.gz VUTIQUHHWHCAIA-FHWLQOOXSA-N 3 1 299.462 2.239 20 0 CEADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccoc1 ZINC000564201221 377358221 /nfs/dbraw/zinc/35/82/21/377358221.db2.gz JLYHONYOEBGINL-JEYLPNPQSA-N 2 1 277.412 2.147 20 0 CEADMP C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cnc(N(C)C)n2C)C1 ZINC000425324791 377348899 /nfs/dbraw/zinc/34/88/99/377348899.db2.gz KXPRTVDJKIICIY-CHWSQXEVSA-N 2 1 264.417 2.497 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H](O)Cc1ccccc1 ZINC000293315013 377518574 /nfs/dbraw/zinc/51/85/74/377518574.db2.gz LSXRBQPOPYLMMJ-SFHVURJKSA-N 2 1 290.451 2.398 20 0 CEADMP CC[C@H](C(=O)N[C@@H](C)C[C@@H](C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000565004450 377528749 /nfs/dbraw/zinc/52/87/49/377528749.db2.gz ORSZOOMHPNPUEW-IJEWVQPXSA-N 2 1 291.439 2.139 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)C1CC[NH2+]CC1 ZINC000430643450 377533021 /nfs/dbraw/zinc/53/30/21/377533021.db2.gz RESCAAUPZMRLLY-UHFFFAOYSA-N 2 1 293.386 2.147 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2cccc(F)c2)C1 ZINC000430645540 377533063 /nfs/dbraw/zinc/53/30/63/377533063.db2.gz VAGSKHNLDVUMQL-ZDUSSCGKSA-N 2 1 266.360 2.136 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000430645540 377533067 /nfs/dbraw/zinc/53/30/67/377533067.db2.gz VAGSKHNLDVUMQL-ZDUSSCGKSA-N 2 1 266.360 2.136 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]CC1Cc2ccccc2C1 ZINC000685840592 542190267 /nfs/dbraw/zinc/19/02/67/542190267.db2.gz PWZQNQJNASDRKG-UHFFFAOYSA-N 2 1 255.365 2.196 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCc2cccc(OC)c2)C1 ZINC000430960003 377575563 /nfs/dbraw/zinc/57/55/63/377575563.db2.gz GDELJMUSIKCECZ-HNNXBMFYSA-N 2 1 262.397 2.169 20 0 CEADMP CN(CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC(F)(F)F ZINC000166164371 542199478 /nfs/dbraw/zinc/19/94/78/542199478.db2.gz YRWDRAGVSKZLLE-CHWSQXEVSA-N 2 1 293.377 2.087 20 0 CEADMP CCC[NH+](CCC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000088397321 249305367 /nfs/dbraw/zinc/30/53/67/249305367.db2.gz IJVLURHWXVKSFJ-HOTGVXAUSA-N 2 1 264.413 2.039 20 0 CEADMP CN(CC[C@H]1CCC[N@H+]1C)CCN(C)C(=O)OC(C)(C)C ZINC000091763208 249309865 /nfs/dbraw/zinc/30/98/65/249309865.db2.gz WWVQWFLSQZTHIS-CQSZACIVSA-N 2 1 299.459 2.269 20 0 CEADMP CN(CC[N@H+](C)CC[C@H]1CCC[NH+]1C)C(=O)OC(C)(C)C ZINC000091763208 249309868 /nfs/dbraw/zinc/30/98/68/249309868.db2.gz WWVQWFLSQZTHIS-CQSZACIVSA-N 2 1 299.459 2.269 20 0 CEADMP CN(CC[N@@H+](C)CC[C@H]1CCC[NH+]1C)C(=O)OC(C)(C)C ZINC000091763208 249309873 /nfs/dbraw/zinc/30/98/73/249309873.db2.gz WWVQWFLSQZTHIS-CQSZACIVSA-N 2 1 299.459 2.269 20 0 CEADMP CN(CC[NH+](C)CC[C@H]1CCC[N@@H+]1C)C(=O)OC(C)(C)C ZINC000091763208 249309876 /nfs/dbraw/zinc/30/98/76/249309876.db2.gz WWVQWFLSQZTHIS-CQSZACIVSA-N 2 1 299.459 2.269 20 0 CEADMP CN(CC[NH+](C)CC[C@H]1CCC[N@H+]1C)C(=O)OC(C)(C)C ZINC000091763208 249309879 /nfs/dbraw/zinc/30/98/79/249309879.db2.gz WWVQWFLSQZTHIS-CQSZACIVSA-N 2 1 299.459 2.269 20 0 CEADMP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ncc[nH]1 ZINC000285534894 542215022 /nfs/dbraw/zinc/21/50/22/542215022.db2.gz FRLSEYOLOISKJT-ZDUSSCGKSA-N 2 1 288.395 2.201 20 0 CEADMP CC[C@@H]1C[C@H](C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC000432350908 377750510 /nfs/dbraw/zinc/75/05/10/377750510.db2.gz GNEFGGCUSMVUJN-BRWVUGGUSA-N 2 1 298.471 2.282 20 0 CEADMP [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000333491218 377768860 /nfs/dbraw/zinc/76/88/60/377768860.db2.gz DJAMIESSNVGQAL-HIFRSBDPSA-N 2 1 295.814 2.458 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000437776174 377862952 /nfs/dbraw/zinc/86/29/52/377862952.db2.gz OXOXYXVRYHWAGB-HZPDHXFCSA-N 2 1 268.445 2.371 20 0 CEADMP C[C@@H]1CCC[C@@H](C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000441360824 377938356 /nfs/dbraw/zinc/93/83/56/377938356.db2.gz YIINCWDIPSEKDK-HZPDHXFCSA-N 2 1 281.488 2.428 20 0 CEADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000442920451 378019406 /nfs/dbraw/zinc/01/94/06/378019406.db2.gz LKRBJAIFZVENHJ-ZDUSSCGKSA-N 2 1 264.417 2.199 20 0 CEADMP C[C@H]([NH3+])C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000442665101 377978542 /nfs/dbraw/zinc/97/85/42/377978542.db2.gz NZKOFOLTYGBHCF-XJKSGUPXSA-N 2 1 262.397 2.096 20 0 CEADMP C[C@H]([NH3+])C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000442665101 377978545 /nfs/dbraw/zinc/97/85/45/377978545.db2.gz NZKOFOLTYGBHCF-XJKSGUPXSA-N 2 1 262.397 2.096 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442916774 378017648 /nfs/dbraw/zinc/01/76/48/378017648.db2.gz AMRCCWNCWXWJOM-CQSZACIVSA-N 2 1 275.396 2.206 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C1CCC(C(F)F)CC1 ZINC000442720997 377985094 /nfs/dbraw/zinc/98/50/94/377985094.db2.gz SVXXRMSBMLBGKY-UHFFFAOYSA-N 2 1 278.387 2.368 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOC1CCCCCC1 ZINC000442759428 377991809 /nfs/dbraw/zinc/99/18/09/377991809.db2.gz QVRHWMDHFVCSBQ-KGLIPLIRSA-N 2 1 254.418 2.395 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000442788702 377996117 /nfs/dbraw/zinc/99/61/17/377996117.db2.gz IVEGMRGGIFKEHD-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000442788702 377996122 /nfs/dbraw/zinc/99/61/22/377996122.db2.gz IVEGMRGGIFKEHD-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442792850 377996168 /nfs/dbraw/zinc/99/61/68/377996168.db2.gz REFUTHLQJMESDJ-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442792850 377996175 /nfs/dbraw/zinc/99/61/75/377996175.db2.gz REFUTHLQJMESDJ-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060184 378031672 /nfs/dbraw/zinc/03/16/72/378031672.db2.gz OLQZLRGVTPGWFU-HUUCEWRRSA-N 2 1 289.423 2.099 20 0 CEADMP COc1ccsc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442928566 378019990 /nfs/dbraw/zinc/01/99/90/378019990.db2.gz PTWKGAVKPDNVBU-LLVKDONJSA-N 2 1 254.399 2.318 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](CC[NH3+])C2)CCO1 ZINC000442931846 378021334 /nfs/dbraw/zinc/02/13/34/378021334.db2.gz WTTCYCGJKYOEAO-RRFJBIMHSA-N 2 1 254.418 2.252 20 0 CEADMP C[N@@H+](CCO)C1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000450373806 378381493 /nfs/dbraw/zinc/38/14/93/378381493.db2.gz UUVFXODFSUJKOC-UITAMQMPSA-N 2 1 288.435 2.478 20 0 CEADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000450374227 378381950 /nfs/dbraw/zinc/38/19/50/378381950.db2.gz VSFHYZCHUAAEEQ-HPUBIQBYSA-N 2 1 280.456 2.344 20 0 CEADMP CCc1ccc2[nH+]ccc(N3CC[N@@H+]4CCOC[C@H]4C3)c2c1 ZINC000450443561 378419590 /nfs/dbraw/zinc/41/95/90/378419590.db2.gz WJEOCQAEPXRBJF-OAHLLOKOSA-N 2 1 297.402 2.318 20 0 CEADMP CCc1ccc2[nH+]ccc(N3CC[N@H+]4CCOC[C@H]4C3)c2c1 ZINC000450443561 378419595 /nfs/dbraw/zinc/41/95/95/378419595.db2.gz WJEOCQAEPXRBJF-OAHLLOKOSA-N 2 1 297.402 2.318 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2CCC(=O)CC2)C1 ZINC000450461026 378429791 /nfs/dbraw/zinc/42/97/91/378429791.db2.gz TVWJYXOVZQYJJK-OAHLLOKOSA-N 2 1 266.429 2.409 20 0 CEADMP CCn1cccc1CNc1ccc(N2CCN(C)CC2)cn1 ZINC000296482833 378547066 /nfs/dbraw/zinc/54/70/66/378547066.db2.gz QDLQNCNNBPOJFF-UHFFFAOYSA-N 2 1 299.422 2.267 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000450859639 378619281 /nfs/dbraw/zinc/61/92/81/378619281.db2.gz MHYVQPLVCINMKY-FPCVCCKLSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H](Cc1cnccn1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000453096605 378800822 /nfs/dbraw/zinc/80/08/22/378800822.db2.gz UFQPAPVZQAPCEM-CABCVRRESA-N 2 1 276.428 2.262 20 0 CEADMP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453093539 378800892 /nfs/dbraw/zinc/80/08/92/378800892.db2.gz MOCAMZDKRPTXQW-BZZMCLGOSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccccc1F ZINC000346840738 218032612 /nfs/dbraw/zinc/03/26/12/218032612.db2.gz UNKPVFIRYLYUDO-NWDGAFQWSA-N 2 1 288.370 2.385 20 0 CEADMP COC1([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)CCOCC1 ZINC000453100449 378803013 /nfs/dbraw/zinc/80/30/13/378803013.db2.gz WZGPAXBQAVNEBP-HZPDHXFCSA-N 2 1 298.471 2.425 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H](SC)C(C)(C)C)CC1 ZINC000346803221 218019278 /nfs/dbraw/zinc/01/92/78/218019278.db2.gz VBCHIRTZWNOZFR-CQSZACIVSA-N 2 1 288.501 2.465 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346819538 218023415 /nfs/dbraw/zinc/02/34/15/218023415.db2.gz HMHLFBPKVGGTRV-CWRNSKLLSA-N 2 1 287.407 2.204 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000346843904 218034707 /nfs/dbraw/zinc/03/47/07/218034707.db2.gz XZWKRDUYAOAVIP-UOJCXKCYSA-N 2 1 274.408 2.468 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cnc21 ZINC000346832618 218028688 /nfs/dbraw/zinc/02/86/88/218028688.db2.gz RFDYBDDSVJBNAQ-IMJJTQAJSA-N 2 1 299.422 2.181 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccn1 ZINC000453291879 378855069 /nfs/dbraw/zinc/85/50/69/378855069.db2.gz OFSGRKCZNVQRDK-BZUAXINKSA-N 2 1 259.397 2.352 20 0 CEADMP CN(CC(C)(C)[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000346853536 218038123 /nfs/dbraw/zinc/03/81/23/218038123.db2.gz SZFBLQFGMHTZQU-MRXNPFEDSA-N 2 1 275.440 2.320 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(CF)CCOCC1 ZINC000453313048 378860887 /nfs/dbraw/zinc/86/08/87/378860887.db2.gz RSXSZHLTRJSJHL-MCIONIFRSA-N 2 1 272.408 2.071 20 0 CEADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000453324865 378861893 /nfs/dbraw/zinc/86/18/93/378861893.db2.gz LMXABBDBLJETBW-ARFHVFGLSA-N 2 1 259.397 2.352 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@]1(C)CCCO1 ZINC000453331856 378864644 /nfs/dbraw/zinc/86/46/44/378864644.db2.gz ANRXFVYOMQAAJN-VAQLIOGMSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2nccn21 ZINC000453390711 378883222 /nfs/dbraw/zinc/88/32/22/378883222.db2.gz DFYILWBZRLVKMY-OCCSQVGLSA-N 2 1 262.401 2.353 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)nn1C ZINC000453403746 378888905 /nfs/dbraw/zinc/88/89/05/378888905.db2.gz ORRRGPHHAOIVEO-CYBMUJFWSA-N 2 1 264.417 2.254 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000347009023 218091580 /nfs/dbraw/zinc/09/15/80/218091580.db2.gz FKXDPOBAJOKBRB-GOEBONIOSA-N 2 1 288.439 2.241 20 0 CEADMP Cc1ncsc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453597384 378916604 /nfs/dbraw/zinc/91/66/04/378916604.db2.gz NGPLPSXEGGGHIU-UHFFFAOYSA-N 2 1 253.415 2.416 20 0 CEADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H](CCO)c1ccccc1 ZINC000346996799 218085502 /nfs/dbraw/zinc/08/55/02/218085502.db2.gz CYEYOWCEWNKVQG-GDBMZVCRSA-N 2 1 262.397 2.042 20 0 CEADMP CCOc1cccc(C[NH2+]CCCC[N@@H+](C)C2CC2)n1 ZINC000453605055 378920084 /nfs/dbraw/zinc/92/00/84/378920084.db2.gz ZVTDUOQKCMLLKN-UHFFFAOYSA-N 2 1 277.412 2.444 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2OCCOC)C1 ZINC000347034442 218098937 /nfs/dbraw/zinc/09/89/37/218098937.db2.gz GACCWHBPSRGWLT-OAHLLOKOSA-N 2 1 292.423 2.143 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2OCCOC)C1 ZINC000347034442 218098938 /nfs/dbraw/zinc/09/89/38/218098938.db2.gz GACCWHBPSRGWLT-OAHLLOKOSA-N 2 1 292.423 2.143 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000347033861 218099154 /nfs/dbraw/zinc/09/91/54/218099154.db2.gz BBNPIAGQYWOCLZ-LBPRGKRZSA-N 2 1 288.313 2.408 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000347036504 218099566 /nfs/dbraw/zinc/09/95/66/218099566.db2.gz GYSTZCUDPCBBSH-RYUDHWBXSA-N 2 1 280.368 2.016 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000347036504 218099568 /nfs/dbraw/zinc/09/95/68/218099568.db2.gz GYSTZCUDPCBBSH-RYUDHWBXSA-N 2 1 280.368 2.016 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@@H]1[NH3+] ZINC000347038085 218101427 /nfs/dbraw/zinc/10/14/27/218101427.db2.gz ICXZEWDSAQEVCE-CJNGLKHVSA-N 2 1 298.390 2.438 20 0 CEADMP COCCOc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000347053456 218106065 /nfs/dbraw/zinc/10/60/65/218106065.db2.gz SEXRNYBNSPDHDZ-ZBFHGGJFSA-N 2 1 292.423 2.271 20 0 CEADMP CCOCc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000347059443 218108612 /nfs/dbraw/zinc/10/86/12/218108612.db2.gz WZRUITKHLHTSCJ-CZUORRHYSA-N 2 1 292.423 2.401 20 0 CEADMP CCOCc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000347059443 218108614 /nfs/dbraw/zinc/10/86/14/218108614.db2.gz WZRUITKHLHTSCJ-CZUORRHYSA-N 2 1 292.423 2.401 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000347029528 218096944 /nfs/dbraw/zinc/09/69/44/218096944.db2.gz WLJLMHMPDBIVLT-HNNXBMFYSA-N 2 1 298.434 2.491 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000347072836 218113815 /nfs/dbraw/zinc/11/38/15/218113815.db2.gz RNFNGGJAIGPZKJ-CYBMUJFWSA-N 2 1 259.397 2.086 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347106784 218122685 /nfs/dbraw/zinc/12/26/85/218122685.db2.gz MAJDZTQMBRQEJR-STQMWFEESA-N 2 1 278.444 2.104 20 0 CEADMP CCC1(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)CCOCC1 ZINC000347136172 218134497 /nfs/dbraw/zinc/13/44/97/218134497.db2.gz UBPQHQGIBCOSLY-KBPBESRZSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000347233521 218163733 /nfs/dbraw/zinc/16/37/33/218163733.db2.gz YWXGFJYTPJJKOT-OCCSQVGLSA-N 2 1 285.395 2.031 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC000347258518 218171285 /nfs/dbraw/zinc/17/12/85/218171285.db2.gz MHEDOIORFZMISQ-CQSZACIVSA-N 2 1 297.468 2.384 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccn1 ZINC000347263649 218173265 /nfs/dbraw/zinc/17/32/65/218173265.db2.gz GCIZKFIEUHVAMC-KRWDZBQOSA-N 2 1 273.424 2.432 20 0 CEADMP Cc1nc(CNC[C@H]2[N@@H+](C)CCCC2(C)C)[nH]c1C ZINC000515074168 379186170 /nfs/dbraw/zinc/18/61/70/379186170.db2.gz TXADXLHSAOJCQX-CYBMUJFWSA-N 2 1 264.417 2.237 20 0 CEADMP Cc1nc(C[NH2+]C[C@H]2N(C)CCCC2(C)C)[nH]c1C ZINC000515074168 379186175 /nfs/dbraw/zinc/18/61/75/379186175.db2.gz TXADXLHSAOJCQX-CYBMUJFWSA-N 2 1 264.417 2.237 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cncc(F)c1 ZINC000278930149 194216966 /nfs/dbraw/zinc/21/69/66/194216966.db2.gz IZGZZUSAZMNXRR-VXGBXAGGSA-N 2 1 274.343 2.330 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](Cc2cn(C(C)C)nn2)CC1 ZINC000347632860 218299691 /nfs/dbraw/zinc/29/96/91/218299691.db2.gz HEVJBNRWCZDOHX-UHFFFAOYSA-N 2 1 293.459 2.413 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCC[C@H]2O)[C@H](C)C1 ZINC000305197444 379681347 /nfs/dbraw/zinc/68/13/47/379681347.db2.gz ZOSWJQLBBSAGGR-QXSJWSMHSA-N 2 1 268.445 2.248 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000527518395 379763091 /nfs/dbraw/zinc/76/30/91/379763091.db2.gz VWLDVXNCBIIKAI-UQPPLGOBSA-N 2 1 296.455 2.430 20 0 CEADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527653050 379784943 /nfs/dbraw/zinc/78/49/43/379784943.db2.gz IOEDGZFPIGEHON-PVAVHDDUSA-N 2 1 279.472 2.038 20 0 CEADMP Cc1cccc([C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C(C)C)c1 ZINC000527889944 379839699 /nfs/dbraw/zinc/83/96/99/379839699.db2.gz JZDVXOYVCUNOTM-IAGOWNOFSA-N 2 1 276.424 2.348 20 0 CEADMP Cc1cccc([C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C(C)C)c1 ZINC000527889944 379839706 /nfs/dbraw/zinc/83/97/06/379839706.db2.gz JZDVXOYVCUNOTM-IAGOWNOFSA-N 2 1 276.424 2.348 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H](n2cccn2)C(F)(F)F)CC[N@H+]1C ZINC000527927607 379849692 /nfs/dbraw/zinc/84/96/92/379849692.db2.gz BDDSGIXSMJVXRU-WOPDTQHZSA-N 2 1 290.333 2.059 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](n2cccn2)C(F)(F)F)CCN1C ZINC000527927607 379849695 /nfs/dbraw/zinc/84/96/95/379849695.db2.gz BDDSGIXSMJVXRU-WOPDTQHZSA-N 2 1 290.333 2.059 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](n2cccn2)C(F)(F)F)CC[N@@H+]1C ZINC000527927607 379849697 /nfs/dbraw/zinc/84/96/97/379849697.db2.gz BDDSGIXSMJVXRU-WOPDTQHZSA-N 2 1 290.333 2.059 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](n2cccn2)C(F)(F)F)CC[N@H+]1C ZINC000527927607 379849702 /nfs/dbraw/zinc/84/97/02/379849702.db2.gz BDDSGIXSMJVXRU-WOPDTQHZSA-N 2 1 290.333 2.059 20 0 CEADMP COCCC1CC[NH+]([C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000527938063 379851154 /nfs/dbraw/zinc/85/11/54/379851154.db2.gz YBRDZZMFTJKDCC-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP COCCC1CC[NH+]([C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000527938063 379851160 /nfs/dbraw/zinc/85/11/60/379851160.db2.gz YBRDZZMFTJKDCC-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000528013432 379876421 /nfs/dbraw/zinc/87/64/21/379876421.db2.gz SIUWOSHEPJGUEE-JHNDHUHGSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528013432 379876425 /nfs/dbraw/zinc/87/64/25/379876425.db2.gz SIUWOSHEPJGUEE-JHNDHUHGSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528013432 379876429 /nfs/dbraw/zinc/87/64/29/379876429.db2.gz SIUWOSHEPJGUEE-JHNDHUHGSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000528013432 379876437 /nfs/dbraw/zinc/87/64/37/379876437.db2.gz SIUWOSHEPJGUEE-JHNDHUHGSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000528013432 379876444 /nfs/dbraw/zinc/87/64/44/379876444.db2.gz SIUWOSHEPJGUEE-JHNDHUHGSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000528753626 380079551 /nfs/dbraw/zinc/07/95/51/380079551.db2.gz HBFVOMZZMRXIGJ-QKGCVVFFSA-N 2 1 254.418 2.262 20 0 CEADMP COc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2C)C2CC2)cn1 ZINC000528853971 380119428 /nfs/dbraw/zinc/11/94/28/380119428.db2.gz UCHCFZBGJUJOMB-INIZCTEOSA-N 2 1 286.379 2.336 20 0 CEADMP CC(C)c1nc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)no1 ZINC000333865876 380167234 /nfs/dbraw/zinc/16/72/34/380167234.db2.gz QZAPHXPJFIHAHP-CHWSQXEVSA-N 2 1 278.400 2.330 20 0 CEADMP CC(C)c1nc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)no1 ZINC000333865876 380167239 /nfs/dbraw/zinc/16/72/39/380167239.db2.gz QZAPHXPJFIHAHP-CHWSQXEVSA-N 2 1 278.400 2.330 20 0 CEADMP Cc1nc(C[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)no1 ZINC000333817713 380156232 /nfs/dbraw/zinc/15/62/32/380156232.db2.gz GXSVFKVUWPJCPU-HUUCEWRRSA-N 2 1 292.427 2.022 20 0 CEADMP CC1CC[NH+](CCN2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000489914617 380221803 /nfs/dbraw/zinc/22/18/03/380221803.db2.gz SOTFJMIWAYCWQL-GOSISDBHSA-N 2 1 293.499 2.382 20 0 CEADMP c1cn2c(cccc2C[N@H+]2CCOCC3(CCC3)C2)n1 ZINC000334405387 380365310 /nfs/dbraw/zinc/36/53/10/380365310.db2.gz HGICWILBIRGGFO-UHFFFAOYSA-N 2 1 271.364 2.337 20 0 CEADMP c1cn2c(cccc2CN2CCOCC3(CCC3)C2)n1 ZINC000334405387 380365316 /nfs/dbraw/zinc/36/53/16/380365316.db2.gz HGICWILBIRGGFO-UHFFFAOYSA-N 2 1 271.364 2.337 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348091919 218455182 /nfs/dbraw/zinc/45/51/82/218455182.db2.gz ZATGLOSMCOZPDG-VXGBXAGGSA-N 2 1 291.317 2.281 20 0 CEADMP Cc1c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cnn1C ZINC000334452575 380432666 /nfs/dbraw/zinc/43/26/66/380432666.db2.gz YSUAJQYJLZAZMM-WMLDXEAASA-N 2 1 288.439 2.177 20 0 CEADMP Cn1cnc2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)ccc21 ZINC000334453302 380433721 /nfs/dbraw/zinc/43/37/21/380433721.db2.gz LXEGLZSEEPLGQX-SFHVURJKSA-N 2 1 298.434 2.491 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)ccc21 ZINC000334453302 380433728 /nfs/dbraw/zinc/43/37/28/380433728.db2.gz LXEGLZSEEPLGQX-SFHVURJKSA-N 2 1 298.434 2.491 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)ccc21 ZINC000334453302 380433729 /nfs/dbraw/zinc/43/37/29/380433729.db2.gz LXEGLZSEEPLGQX-SFHVURJKSA-N 2 1 298.434 2.491 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)ccc21 ZINC000334453302 380433741 /nfs/dbraw/zinc/43/37/41/380433741.db2.gz LXEGLZSEEPLGQX-SFHVURJKSA-N 2 1 298.434 2.491 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccs2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000334430475 380401459 /nfs/dbraw/zinc/40/14/59/380401459.db2.gz JPYYUPPGUCSFBK-HOCLYGCPSA-N 2 1 293.480 2.206 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000340126379 296310777 /nfs/dbraw/zinc/31/07/77/296310777.db2.gz LSEXADLDGMGARV-PMPSAXMXSA-N 2 1 295.471 2.275 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000555002804 380805631 /nfs/dbraw/zinc/80/56/31/380805631.db2.gz LYLCODHPMGIQKD-CQSZACIVSA-N 2 1 267.461 2.179 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)n21 ZINC000334818757 207129808 /nfs/dbraw/zinc/12/98/08/207129808.db2.gz DMRSOPUYKXQPEF-JSGCOSHPSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1cccc2ncc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)n21 ZINC000334818757 207129811 /nfs/dbraw/zinc/12/98/11/207129811.db2.gz DMRSOPUYKXQPEF-JSGCOSHPSA-N 2 1 272.396 2.059 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCN3)CC1 ZINC000334832973 207155257 /nfs/dbraw/zinc/15/52/57/207155257.db2.gz JXMZQCUTRUZZRE-UHFFFAOYSA-N 2 1 259.397 2.229 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000334859266 207200323 /nfs/dbraw/zinc/20/03/23/207200323.db2.gz XVYSIUCEEXVNBI-WFASDCNBSA-N 2 1 274.408 2.488 20 0 CEADMP Cc1cc(N(CC[NH+](C)C)Cc2ccccn2)nc(C)[nH+]1 ZINC000189531631 542331774 /nfs/dbraw/zinc/33/17/74/542331774.db2.gz ZIBQMEWZVYLBFO-UHFFFAOYSA-N 2 1 285.395 2.057 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093089257 184647838 /nfs/dbraw/zinc/64/78/38/184647838.db2.gz XRRAYSJAWPIBNX-UHFFFAOYSA-N 2 1 289.423 2.419 20 0 CEADMP CSc1ccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357066879 532985982 /nfs/dbraw/zinc/98/59/82/532985982.db2.gz CUBAQDJZYMOZNF-ZIAGYGMSSA-N 2 1 292.448 2.329 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357066879 532985985 /nfs/dbraw/zinc/98/59/85/532985985.db2.gz CUBAQDJZYMOZNF-ZIAGYGMSSA-N 2 1 292.448 2.329 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)ccc2F)CC12CCOCC2 ZINC000335250807 208028314 /nfs/dbraw/zinc/02/83/14/208028314.db2.gz HMEVXRFHOPHCCP-ZDUSSCGKSA-N 2 1 296.361 2.152 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)ccc2F)CC12CCOCC2 ZINC000335250807 208028319 /nfs/dbraw/zinc/02/83/19/208028319.db2.gz HMEVXRFHOPHCCP-ZDUSSCGKSA-N 2 1 296.361 2.152 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335270969 208073159 /nfs/dbraw/zinc/07/31/59/208073159.db2.gz VZJHYZGASJFNGV-BETUJISGSA-N 2 1 276.428 2.139 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](OCC2CC2)C1 ZINC000368792952 220288071 /nfs/dbraw/zinc/28/80/71/220288071.db2.gz REVHSTVUINRFHY-HOTGVXAUSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368792952 220288075 /nfs/dbraw/zinc/28/80/75/220288075.db2.gz REVHSTVUINRFHY-HOTGVXAUSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368792952 220288077 /nfs/dbraw/zinc/28/80/77/220288077.db2.gz REVHSTVUINRFHY-HOTGVXAUSA-N 2 1 266.429 2.362 20 0 CEADMP CN(CCC[N@@H+](C)Cc1ccnc(Cl)c1)CC[NH+](C)C ZINC000289352477 197307136 /nfs/dbraw/zinc/30/71/36/197307136.db2.gz GIUNEMYGXKPGKZ-UHFFFAOYSA-N 2 1 298.862 2.050 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnn3ccccc23)[C@@H](C)C1 ZINC000353863969 220373865 /nfs/dbraw/zinc/37/38/65/220373865.db2.gz HERGENOSLKOBBF-ZFWWWQNUSA-N 2 1 272.396 2.154 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnn3ccccc23)[C@@H](C)C1 ZINC000353863969 220373867 /nfs/dbraw/zinc/37/38/67/220373867.db2.gz HERGENOSLKOBBF-ZFWWWQNUSA-N 2 1 272.396 2.154 20 0 CEADMP OC(C[NH+]1CC2CCC1CC2)C[N@H+]1CC2CCC1CC2 ZINC000370092462 285231335 /nfs/dbraw/zinc/23/13/35/285231335.db2.gz NDUPHEBQPXDQRQ-UHFFFAOYSA-N 2 1 278.440 2.096 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000347352782 285259637 /nfs/dbraw/zinc/25/96/37/285259637.db2.gz UUWQCXNEQFSHPQ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCCC1(F)F ZINC000390567827 262219576 /nfs/dbraw/zinc/21/95/76/262219576.db2.gz BSJATSZKPFOVPR-UPJWGTAASA-N 2 1 276.371 2.169 20 0 CEADMP O[C@@]1(C(F)(F)F)CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000376663568 285342761 /nfs/dbraw/zinc/34/27/61/285342761.db2.gz KZZQLFZYEIUSND-ZDUSSCGKSA-N 2 1 294.361 2.252 20 0 CEADMP O[C@@]1(C(F)(F)F)CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000376663568 285342764 /nfs/dbraw/zinc/34/27/64/285342764.db2.gz KZZQLFZYEIUSND-ZDUSSCGKSA-N 2 1 294.361 2.252 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)C(C)(C)C)[C@@H](C)C1 ZINC000336788550 285395989 /nfs/dbraw/zinc/39/59/89/285395989.db2.gz PQYBGLHJOPWZCF-MELADBBJSA-N 2 1 256.434 2.056 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)C(C)(C)C)[C@@H](C)C1 ZINC000336788550 285395991 /nfs/dbraw/zinc/39/59/91/285395991.db2.gz PQYBGLHJOPWZCF-MELADBBJSA-N 2 1 256.434 2.056 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)C(C)(C)C)[C@@H](C)C1 ZINC000336788550 285395992 /nfs/dbraw/zinc/39/59/92/285395992.db2.gz PQYBGLHJOPWZCF-MELADBBJSA-N 2 1 256.434 2.056 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@@H]([NH3+])CC(C)C)C[C@H]1C ZINC000414749582 285396125 /nfs/dbraw/zinc/39/61/25/285396125.db2.gz YJNUFLAVFPOMNT-ILXRZTDVSA-N 2 1 255.450 2.164 20 0 CEADMP CC(C)c1[nH+]ccn1CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000020030314 394470444 /nfs/dbraw/zinc/47/04/44/394470444.db2.gz JAGZQSACOIOQKJ-UHFFFAOYSA-N 2 1 272.352 2.104 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)C[NH3+])cc1)C(C)C ZINC000236923558 394490060 /nfs/dbraw/zinc/49/00/60/394490060.db2.gz JRDXRBXQMLOXHL-CQSZACIVSA-N 2 1 291.439 2.242 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000305119653 394493871 /nfs/dbraw/zinc/49/38/71/394493871.db2.gz GPFGEKXNQUCNQQ-FPCVCCKLSA-N 2 1 270.461 2.492 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000036908225 394494906 /nfs/dbraw/zinc/49/49/06/394494906.db2.gz YTBYOGCBCGOUAT-TUVASFSCSA-N 2 1 290.407 2.145 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000037901368 394497973 /nfs/dbraw/zinc/49/79/73/394497973.db2.gz UGJWTUVNWGMICV-OAHLLOKOSA-N 2 1 283.460 2.275 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCOC1 ZINC000305251280 394505908 /nfs/dbraw/zinc/50/59/08/394505908.db2.gz WYOFVMZCMLWWFW-KBXIAJHMSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H](C(N)=O)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246034278 394508000 /nfs/dbraw/zinc/50/80/00/394508000.db2.gz ODFVBLBMLKPUNU-ZBFHGGJFSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000252729470 394574232 /nfs/dbraw/zinc/57/42/32/394574232.db2.gz GVOJGQXSTAWZMC-ILXRZTDVSA-N 2 1 298.496 2.361 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000252729470 394574235 /nfs/dbraw/zinc/57/42/35/394574235.db2.gz GVOJGQXSTAWZMC-ILXRZTDVSA-N 2 1 298.496 2.361 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000356604722 394580708 /nfs/dbraw/zinc/58/07/08/394580708.db2.gz SNSPFFAKBAHPFW-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000356604722 394580711 /nfs/dbraw/zinc/58/07/11/394580711.db2.gz SNSPFFAKBAHPFW-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000356604722 394580713 /nfs/dbraw/zinc/58/07/13/394580713.db2.gz SNSPFFAKBAHPFW-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000246943204 394523645 /nfs/dbraw/zinc/52/36/45/394523645.db2.gz QVTPEKALTQIBIK-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](CC(C)(C)C)C1)C1CC1 ZINC000307842222 394524024 /nfs/dbraw/zinc/52/40/24/394524024.db2.gz DXJDFOMEBLFAQH-UKRRQHHQSA-N 2 1 268.445 2.200 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](CC(C)(C)C)C1)C1CC1 ZINC000307842222 394524027 /nfs/dbraw/zinc/52/40/27/394524027.db2.gz DXJDFOMEBLFAQH-UKRRQHHQSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](CC(C)(C)C)C1)C1CC1 ZINC000307842222 394524032 /nfs/dbraw/zinc/52/40/32/394524032.db2.gz DXJDFOMEBLFAQH-UKRRQHHQSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](CC(C)(C)C)C1)C1CC1 ZINC000307842222 394524034 /nfs/dbraw/zinc/52/40/34/394524034.db2.gz DXJDFOMEBLFAQH-UKRRQHHQSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000309877355 394532927 /nfs/dbraw/zinc/53/29/27/394532927.db2.gz IMFNNPCWYLYGOT-HSBZDZAISA-N 2 1 299.459 2.360 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000309877355 394532929 /nfs/dbraw/zinc/53/29/29/394532929.db2.gz IMFNNPCWYLYGOT-HSBZDZAISA-N 2 1 299.459 2.360 20 0 CEADMP CC(C)(O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309997755 394533893 /nfs/dbraw/zinc/53/38/93/394533893.db2.gz CHEJTMUTXNKWJW-IRXDYDNUSA-N 2 1 288.435 2.211 20 0 CEADMP CC(C)(O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309997755 394533897 /nfs/dbraw/zinc/53/38/97/394533897.db2.gz CHEJTMUTXNKWJW-IRXDYDNUSA-N 2 1 288.435 2.211 20 0 CEADMP CC(C)(O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309997755 394533900 /nfs/dbraw/zinc/53/39/00/394533900.db2.gz CHEJTMUTXNKWJW-IRXDYDNUSA-N 2 1 288.435 2.211 20 0 CEADMP CC(C)[C@](C)(O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248542054 394542480 /nfs/dbraw/zinc/54/24/80/394542480.db2.gz CHMWTIBXLDIWCQ-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)c1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000313382881 394542923 /nfs/dbraw/zinc/54/29/23/394542923.db2.gz IYFSWRALFYOHHJ-INIZCTEOSA-N 2 1 262.397 2.360 20 0 CEADMP CC(C)c1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000313382881 394542927 /nfs/dbraw/zinc/54/29/27/394542927.db2.gz IYFSWRALFYOHHJ-INIZCTEOSA-N 2 1 262.397 2.360 20 0 CEADMP Fc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000261657200 394604746 /nfs/dbraw/zinc/60/47/46/394604746.db2.gz KFXVZHBKNOALJL-JSGCOSHPSA-N 2 1 285.366 2.415 20 0 CEADMP Fc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000261657200 394604751 /nfs/dbraw/zinc/60/47/51/394604751.db2.gz KFXVZHBKNOALJL-JSGCOSHPSA-N 2 1 285.366 2.415 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C)C2(OC)CCCC2)CC1 ZINC000421822549 394605670 /nfs/dbraw/zinc/60/56/70/394605670.db2.gz AUWDANBTVHCDRQ-CQSZACIVSA-N 2 1 284.444 2.035 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421826937 394607669 /nfs/dbraw/zinc/60/76/69/394607669.db2.gz VOBTYYLZRFXLRW-HNNXBMFYSA-N 2 1 270.380 2.124 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000421873216 394623871 /nfs/dbraw/zinc/62/38/71/394623871.db2.gz HORMIWKWHDKULD-ZKLCHKPXSA-N 2 1 279.472 2.322 20 0 CEADMP CN1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000421873216 394623874 /nfs/dbraw/zinc/62/38/74/394623874.db2.gz HORMIWKWHDKULD-ZKLCHKPXSA-N 2 1 279.472 2.322 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)CCO1 ZINC000356973001 394668859 /nfs/dbraw/zinc/66/88/59/394668859.db2.gz AVVVHMSVOWMGEQ-OWCLPIDISA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)CCO1 ZINC000356973001 394668863 /nfs/dbraw/zinc/66/88/63/394668863.db2.gz AVVVHMSVOWMGEQ-OWCLPIDISA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)CCO1 ZINC000356973001 394668866 /nfs/dbraw/zinc/66/88/66/394668866.db2.gz AVVVHMSVOWMGEQ-OWCLPIDISA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H](C[NH+](C)CC)C2)CCO1 ZINC000356972999 394669013 /nfs/dbraw/zinc/66/90/13/394669013.db2.gz AVVVHMSVOWMGEQ-BZUAXINKSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@H](C[N@H+](C)CC)C2)CCO1 ZINC000356972999 394669016 /nfs/dbraw/zinc/66/90/16/394669016.db2.gz AVVVHMSVOWMGEQ-BZUAXINKSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)CCO1 ZINC000356972999 394669021 /nfs/dbraw/zinc/66/90/21/394669021.db2.gz AVVVHMSVOWMGEQ-BZUAXINKSA-N 2 1 268.445 2.465 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC2)[C@@H](C)C1 ZINC000356879463 394641160 /nfs/dbraw/zinc/64/11/60/394641160.db2.gz TYAUURGRLOLSNC-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)CC1 ZINC000414219853 394734864 /nfs/dbraw/zinc/73/48/64/394734864.db2.gz IWUZYNUWFSJUQA-SJORKVTESA-N 2 1 274.408 2.373 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422716985 394737005 /nfs/dbraw/zinc/73/70/05/394737005.db2.gz VCJUBLKODLZCEB-HUUCEWRRSA-N 2 1 299.528 2.454 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000414249220 394739465 /nfs/dbraw/zinc/73/94/65/394739465.db2.gz WXYKCMOZACCWDQ-OSRDXIQISA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000414249220 394739467 /nfs/dbraw/zinc/73/94/67/394739467.db2.gz WXYKCMOZACCWDQ-OSRDXIQISA-N 2 1 254.418 2.262 20 0 CEADMP CC[N@@H+](C)CCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422722670 394740465 /nfs/dbraw/zinc/74/04/65/394740465.db2.gz YLNAAYOXLZOHPD-SJORKVTESA-N 2 1 291.439 2.030 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000422724445 394741320 /nfs/dbraw/zinc/74/13/20/394741320.db2.gz VRSZOTGDLIXVNW-KBPBESRZSA-N 3 1 290.455 2.231 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2cccnc2)CC[N@H+]1C ZINC000414335579 394741895 /nfs/dbraw/zinc/74/18/95/394741895.db2.gz OQNHQWVGEXTLIM-HIFRSBDPSA-N 2 1 261.413 2.432 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422738462 394749365 /nfs/dbraw/zinc/74/93/65/394749365.db2.gz YVLIHFMSXAAFTH-HRCADAONSA-N 2 1 267.461 2.371 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+]([C@H]3CCOC3)C2)CC1 ZINC000334442999 394686071 /nfs/dbraw/zinc/68/60/71/394686071.db2.gz AOMIHFUOKGYJSY-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@H+]([C@H]3CCOC3)C2)CC1 ZINC000334442999 394686074 /nfs/dbraw/zinc/68/60/74/394686074.db2.gz AOMIHFUOKGYJSY-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc2c1OCC2 ZINC000357040576 394689860 /nfs/dbraw/zinc/68/98/60/394689860.db2.gz BWAIDPTYKYTAOO-IAGOWNOFSA-N 2 1 286.419 2.095 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2C)[C@H](C)C1 ZINC000268939799 394703159 /nfs/dbraw/zinc/70/31/59/394703159.db2.gz SIPKTOQOGMFAKV-PVAVHDDUSA-N 2 1 276.424 2.348 20 0 CEADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1C[C@@H]1C ZINC000414109141 394705416 /nfs/dbraw/zinc/70/54/16/394705416.db2.gz GWDXNVITPCOMLW-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000422732552 394746547 /nfs/dbraw/zinc/74/65/47/394746547.db2.gz OYVBVCGRTCWYDO-MLGOLLRUSA-N 2 1 257.381 2.298 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422734004 394746610 /nfs/dbraw/zinc/74/66/10/394746610.db2.gz BWVOEUTUIQDMAS-ZMSDIMECSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000422734004 394746614 /nfs/dbraw/zinc/74/66/14/394746614.db2.gz BWVOEUTUIQDMAS-ZMSDIMECSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnc(N(C)C)s2)C[C@@H]1C[NH3+] ZINC000422561330 394710908 /nfs/dbraw/zinc/71/09/08/394710908.db2.gz KQRNIZMNEZTPEG-UTUOFQBUSA-N 2 1 282.457 2.014 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000358223995 394712036 /nfs/dbraw/zinc/71/20/36/394712036.db2.gz BISFUFQHIMMZOA-JKSUJKDBSA-N 2 1 294.826 2.447 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000358223995 394712041 /nfs/dbraw/zinc/71/20/41/394712041.db2.gz BISFUFQHIMMZOA-JKSUJKDBSA-N 2 1 294.826 2.447 20 0 CEADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358253172 394713556 /nfs/dbraw/zinc/71/35/56/394713556.db2.gz NPHKFXGSFOATRU-QLFBSQMISA-N 2 1 254.418 2.002 20 0 CEADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358253172 394713561 /nfs/dbraw/zinc/71/35/61/394713561.db2.gz NPHKFXGSFOATRU-QLFBSQMISA-N 2 1 254.418 2.002 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CCCCN2)CC1 ZINC000422735272 394747267 /nfs/dbraw/zinc/74/72/67/394747267.db2.gz DUJQFFDGZNQQJT-HOCLYGCPSA-N 2 1 267.461 2.229 20 0 CEADMP CC(C)n1cc2c(n1)C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000358281949 394715806 /nfs/dbraw/zinc/71/58/06/394715806.db2.gz DNBQJLFGWZNNFX-VNQPRFMTSA-N 2 1 290.455 2.394 20 0 CEADMP CC(C)n1cc2c(n1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000358281949 394715808 /nfs/dbraw/zinc/71/58/08/394715808.db2.gz DNBQJLFGWZNNFX-VNQPRFMTSA-N 2 1 290.455 2.394 20 0 CEADMP COc1ccc(OCCC[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422639600 394723321 /nfs/dbraw/zinc/72/33/21/394723321.db2.gz TUHBUKNAMOCPJT-UHFFFAOYSA-N 2 1 290.407 2.292 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1c[nH+]ccc1N ZINC000422701007 394726745 /nfs/dbraw/zinc/72/67/45/394726745.db2.gz HUIILCJZWBDWFY-NHYWBVRUSA-N 2 1 263.385 2.086 20 0 CEADMP C[N@@H+](CCN[C@@H]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000422701949 394727166 /nfs/dbraw/zinc/72/71/66/394727166.db2.gz JOYDUCTXMYNWHG-GOEBONIOSA-N 2 1 267.461 2.358 20 0 CEADMP c1cn2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)nc2s1 ZINC000422702597 394727512 /nfs/dbraw/zinc/72/75/12/394727512.db2.gz LEJLMCXIQZBTBN-MGPQQGTHSA-N 2 1 290.436 2.406 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422704011 394728445 /nfs/dbraw/zinc/72/84/45/394728445.db2.gz OLFOOKWYRCJDBF-QEJZJMRPSA-N 2 1 254.418 2.048 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414690739 394748370 /nfs/dbraw/zinc/74/83/70/394748370.db2.gz IGKIWGJBOIMQQX-OAGGEKHMSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)C[C@@H](C)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414776784 394751214 /nfs/dbraw/zinc/75/12/14/394751214.db2.gz HSZUSKKWPBIAGN-CABCVRRESA-N 2 1 268.445 2.356 20 0 CEADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC000271425088 394756642 /nfs/dbraw/zinc/75/66/42/394756642.db2.gz CKDSKLCCJCFKPD-NWANDNLSSA-N 2 1 290.407 2.071 20 0 CEADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC000271425088 394756647 /nfs/dbraw/zinc/75/66/47/394756647.db2.gz CKDSKLCCJCFKPD-NWANDNLSSA-N 2 1 290.407 2.071 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)COCc1ccccc1 ZINC000422753131 394759488 /nfs/dbraw/zinc/75/94/88/394759488.db2.gz DRBYRZCYSMZOBA-BFYDXBDKSA-N 2 1 276.424 2.427 20 0 CEADMP COc1ccc(OC)c(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422757222 394762810 /nfs/dbraw/zinc/76/28/10/394762810.db2.gz IKQBLGDESFXFHC-BBRMVZONSA-N 2 1 292.423 2.367 20 0 CEADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422758031 394763088 /nfs/dbraw/zinc/76/30/88/394763088.db2.gz DPMZTSPOOSHKSV-LBPRGKRZSA-N 2 1 284.407 2.187 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000414953213 394822828 /nfs/dbraw/zinc/82/28/28/394822828.db2.gz JHVKFDGJEICAQX-ZYHUDNBSSA-N 2 1 290.436 2.361 20 0 CEADMP Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@]3(CC[NH2+]C3)C1)CC2 ZINC000335439678 394766385 /nfs/dbraw/zinc/76/63/85/394766385.db2.gz NZCIEAKBJFYNDR-HOTGVXAUSA-N 2 1 260.356 2.498 20 0 CEADMP Fc1ccc2c(c1)[C@@H]([N@H+]1CC[C@]3(CC[NH2+]C3)C1)CC2 ZINC000335439678 394766387 /nfs/dbraw/zinc/76/63/87/394766387.db2.gz NZCIEAKBJFYNDR-HOTGVXAUSA-N 2 1 260.356 2.498 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422764580 394767592 /nfs/dbraw/zinc/76/75/92/394767592.db2.gz PWHGNEUVEOKDFM-ILXRZTDVSA-N 2 1 267.461 2.085 20 0 CEADMP COCCOc1cccc(C[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000414854371 394772948 /nfs/dbraw/zinc/77/29/48/394772948.db2.gz UXYWBLLVWGRVSS-HNNXBMFYSA-N 2 1 280.412 2.175 20 0 CEADMP FC1(F)Oc2cccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)c2O1 ZINC000414856204 394773928 /nfs/dbraw/zinc/77/39/28/394773928.db2.gz OBEYJAKRIPMHKD-SNVBAGLBSA-N 2 1 284.306 2.097 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cnccc1N ZINC000422775802 394775472 /nfs/dbraw/zinc/77/54/72/394775472.db2.gz CKCXKPCWTBYJHX-GFCCVEGCSA-N 2 1 273.384 2.130 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C12CCC2 ZINC000422775893 394775567 /nfs/dbraw/zinc/77/55/67/394775567.db2.gz BRYDIFGVCHPMQH-KCPJHIHWSA-N 2 1 275.396 2.492 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(Br)cn1)[C@@H]1CCC[NH2+]C1 ZINC000414861800 394775793 /nfs/dbraw/zinc/77/57/93/394775793.db2.gz WUFNGWNTOXRTFW-WDEREUQCSA-N 2 1 298.228 2.322 20 0 CEADMP CCC[NH2+]CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414868827 394779796 /nfs/dbraw/zinc/77/97/96/394779796.db2.gz KOWAYMLVDCMXDJ-UHFFFAOYSA-N 2 1 261.413 2.245 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000422782632 394781498 /nfs/dbraw/zinc/78/14/98/394781498.db2.gz GTSVPJSHMBJWFO-DYEKYZERSA-N 2 1 266.360 2.323 20 0 CEADMP CCCn1c(C[NH2+]C[C@@H](C)C[NH3+])nc2ccccc21 ZINC000414876060 394782673 /nfs/dbraw/zinc/78/26/73/394782673.db2.gz KSHFJDDVCQLTIA-LBPRGKRZSA-N 2 1 260.385 2.131 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000414879489 394783777 /nfs/dbraw/zinc/78/37/77/394783777.db2.gz POVDTCUCOCHCIS-MRVPVSSYSA-N 2 1 253.346 2.120 20 0 CEADMP C[C@H]1CCC[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000335641429 394784594 /nfs/dbraw/zinc/78/45/94/394784594.db2.gz DWTRSMVXMNPAPQ-ORBLRFAASA-N 2 1 279.472 2.371 20 0 CEADMP COc1cc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)ccc1C ZINC000422788175 394785825 /nfs/dbraw/zinc/78/58/25/394785825.db2.gz SGDGUHZEVYZILY-DZGCQCFKSA-N 2 1 262.397 2.276 20 0 CEADMP COc1cc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)ccc1C ZINC000422788183 394786054 /nfs/dbraw/zinc/78/60/54/394786054.db2.gz SGDGUHZEVYZILY-ZFWWWQNUSA-N 2 1 262.397 2.276 20 0 CEADMP CCC(CC)c1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])on1 ZINC000422792226 394790172 /nfs/dbraw/zinc/79/01/72/394790172.db2.gz VUAJKLREWMJIQV-NILFDRSVSA-N 2 1 295.427 2.420 20 0 CEADMP CC(C)(C)n1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cn1 ZINC000414898580 394794878 /nfs/dbraw/zinc/79/48/78/394794878.db2.gz GIXLYEOQXKXPMN-OAHLLOKOSA-N 2 1 264.417 2.117 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000414899278 394794907 /nfs/dbraw/zinc/79/49/07/394794907.db2.gz UPPDQYQENXMCGV-LBPRGKRZSA-N 2 1 274.286 2.412 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1O ZINC000414907400 394799163 /nfs/dbraw/zinc/79/91/63/394799163.db2.gz ASFHWPWMWQWABO-VNHYZAJKSA-N 2 1 292.423 2.310 20 0 CEADMP COC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121622444 394801796 /nfs/dbraw/zinc/80/17/96/394801796.db2.gz COKZAMWONBHCLU-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP COc1cc(OC)c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000414925798 394806392 /nfs/dbraw/zinc/80/63/92/394806392.db2.gz MGJAQRFRADVUSK-NWDGAFQWSA-N 2 1 294.395 2.072 20 0 CEADMP CCC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCOCC1 ZINC000422814960 394806475 /nfs/dbraw/zinc/80/64/75/394806475.db2.gz WOYYHYWSMIUGCI-LBPRGKRZSA-N 2 1 263.385 2.352 20 0 CEADMP C[C@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414926191 394806638 /nfs/dbraw/zinc/80/66/38/394806638.db2.gz MWUVIBAJXCKTOM-CGTJXYLNSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422844688 394825395 /nfs/dbraw/zinc/82/53/95/394825395.db2.gz MRZCIMOLIWDWDC-WBVHZDCISA-N 2 1 288.435 2.322 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414930827 394808124 /nfs/dbraw/zinc/80/81/24/394808124.db2.gz PKYKZODYCZVTOB-JMSVASOKSA-N 2 1 250.361 2.344 20 0 CEADMP Cc1ccccc1OCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422739732 394750548 /nfs/dbraw/zinc/75/05/48/394750548.db2.gz LSDQZCYQBMHTFS-ZFWWWQNUSA-N 2 1 262.397 2.352 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C(=O)N1c1ccccc1 ZINC000422924258 394863186 /nfs/dbraw/zinc/86/31/86/394863186.db2.gz UAUATCNPDOICFL-KSNGNJHRSA-N 2 1 299.418 2.053 20 0 CEADMP COCCOc1cccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000415051313 394864944 /nfs/dbraw/zinc/86/49/44/394864944.db2.gz JJFDIIBNLKEDPH-OAHLLOKOSA-N 2 1 280.412 2.175 20 0 CEADMP COCCOc1cccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000415053439 394866157 /nfs/dbraw/zinc/86/61/57/394866157.db2.gz JWHDWFMYHLGNKG-RHSMWYFYSA-N 2 1 292.423 2.129 20 0 CEADMP CC(C)CCC[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415057171 394867609 /nfs/dbraw/zinc/86/76/09/394867609.db2.gz RDVPYXPNGXUXRO-UHFFFAOYSA-N 2 1 267.461 2.229 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000415059375 394868589 /nfs/dbraw/zinc/86/85/89/394868589.db2.gz XWHYDOHKDKJHPS-HNNXBMFYSA-N 2 1 272.396 2.335 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000129646846 394870136 /nfs/dbraw/zinc/87/01/36/394870136.db2.gz MFHOUHZSJAQGCD-YOEHRIQHSA-N 2 1 279.472 2.323 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@H](C[NH3+])C3CCCC3)n21 ZINC000415065209 394871876 /nfs/dbraw/zinc/87/18/76/394871876.db2.gz MIZHLHLOVIVTGI-OAHLLOKOSA-N 2 1 272.396 2.250 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC1CCOCC1 ZINC000336790004 394872631 /nfs/dbraw/zinc/87/26/31/394872631.db2.gz VLPIXKSJWJDVCK-NFAWXSAZSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)C1CCCCC1 ZINC000337203733 394885471 /nfs/dbraw/zinc/88/54/71/394885471.db2.gz GTSWGMBWVRSOTD-INIZCTEOSA-N 2 1 268.445 2.345 20 0 CEADMP Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@@H](C)C2C[NH2+]C2)c(C)c1 ZINC000423008256 394879001 /nfs/dbraw/zinc/87/90/01/394879001.db2.gz ZPKHTMFJDQNIFK-MAUKXSAKSA-N 2 1 298.434 2.439 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000336825043 394880365 /nfs/dbraw/zinc/88/03/65/394880365.db2.gz WWTNTDBQIIWXOC-IAGOWNOFSA-N 2 1 279.472 2.421 20 0 CEADMP C[C@@H](CN[C@@H](C)c1cnccc1N)[N@@H+]1CCCC[C@H]1C ZINC000422852721 394829796 /nfs/dbraw/zinc/82/97/96/394829796.db2.gz BBGPHBFDWKEVOO-RDBSUJKOSA-N 2 1 276.428 2.408 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]CCC(=O)N2CCCCC2)c2ccccc21 ZINC000123738314 394831179 /nfs/dbraw/zinc/83/11/79/394831179.db2.gz WYNGHSNTOBLCEM-HOTGVXAUSA-N 2 1 287.407 2.123 20 0 CEADMP CC[C@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422855404 394832006 /nfs/dbraw/zinc/83/20/06/394832006.db2.gz DTHFDVRABHTPFH-UGUYLWEFSA-N 2 1 267.461 2.227 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000414973888 394832325 /nfs/dbraw/zinc/83/23/25/394832325.db2.gz NBRVWNKGTIWARI-HNNXBMFYSA-N 2 1 290.407 2.326 20 0 CEADMP CC(C)(C)n1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cn1 ZINC000414979137 394834467 /nfs/dbraw/zinc/83/44/67/394834467.db2.gz VBPSDSHLVHJKPV-ZDUSSCGKSA-N 2 1 264.417 2.116 20 0 CEADMP CN(C)CC[N@@H+]1CCCN(c2cc[nH+]c3ccccc32)CC1 ZINC000361829075 394836341 /nfs/dbraw/zinc/83/63/41/394836341.db2.gz CXSALIZNTPUWME-UHFFFAOYSA-N 2 1 298.434 2.309 20 0 CEADMP CN(C)CC[N@H+]1CCCN(c2cc[nH+]c3ccccc32)CC1 ZINC000361829075 394836344 /nfs/dbraw/zinc/83/63/44/394836344.db2.gz CXSALIZNTPUWME-UHFFFAOYSA-N 2 1 298.434 2.309 20 0 CEADMP C[C@@H]([NH2+]C[C@@](C)(CO)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423083413 394885913 /nfs/dbraw/zinc/88/59/13/394885913.db2.gz YUWDUTKHYLIXJL-NXHRZFHOSA-N 2 1 290.451 2.348 20 0 CEADMP C[C@H](C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F)CC1CCOCC1 ZINC000414992358 394840692 /nfs/dbraw/zinc/84/06/92/394840692.db2.gz BHBKZMRVTYHIKC-JSGCOSHPSA-N 2 1 290.398 2.274 20 0 CEADMP C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422873433 394842332 /nfs/dbraw/zinc/84/23/32/394842332.db2.gz AFSVUUNRNSYDLK-YYIAUSFCSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422873433 394842339 /nfs/dbraw/zinc/84/23/39/394842339.db2.gz AFSVUUNRNSYDLK-YYIAUSFCSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422873433 394842343 /nfs/dbraw/zinc/84/23/43/394842343.db2.gz AFSVUUNRNSYDLK-YYIAUSFCSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422873626 394842649 /nfs/dbraw/zinc/84/26/49/394842649.db2.gz AUVGJBNNBKEKMW-ILXRZTDVSA-N 3 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCC[C@@H]1N ZINC000422873626 394842652 /nfs/dbraw/zinc/84/26/52/394842652.db2.gz AUVGJBNNBKEKMW-ILXRZTDVSA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@@H]1N ZINC000422873626 394842655 /nfs/dbraw/zinc/84/26/55/394842655.db2.gz AUVGJBNNBKEKMW-ILXRZTDVSA-N 2 1 253.434 2.110 20 0 CEADMP CC[N@@H+](CCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])C1CC1 ZINC000422876287 394843936 /nfs/dbraw/zinc/84/39/36/394843936.db2.gz FLMKBQZIOPKHGD-RHSMWYFYSA-N 2 1 275.440 2.019 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+]([C@H]1CCCC[C@H]1O)CC2)C1CC1 ZINC000362104338 394844788 /nfs/dbraw/zinc/84/47/88/394844788.db2.gz CUDONGPVAIPXAE-BHYGNILZSA-N 2 1 292.467 2.486 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000415010541 394848191 /nfs/dbraw/zinc/84/81/91/394848191.db2.gz VEVKYPWGXUKBDD-LLVKDONJSA-N 2 1 286.370 2.042 20 0 CEADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC000415012005 394848327 /nfs/dbraw/zinc/84/83/27/394848327.db2.gz RTSMHZQTHIHWOD-CADBVGFASA-N 3 1 299.462 2.457 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422884610 394849179 /nfs/dbraw/zinc/84/91/79/394849179.db2.gz SEFDBFHNWPUIOO-BZUAXINKSA-N 3 1 267.461 2.216 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)[C@H]1Cc2ccccc2[C@H]1O ZINC000281243823 394853842 /nfs/dbraw/zinc/85/38/42/394853842.db2.gz GITLTQSKVMRHCH-DLBZAZTESA-N 2 1 274.408 2.062 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1Cc2ccccc2[C@H]1O ZINC000281243823 394853844 /nfs/dbraw/zinc/85/38/44/394853844.db2.gz GITLTQSKVMRHCH-DLBZAZTESA-N 2 1 274.408 2.062 20 0 CEADMP Clc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ncccc12 ZINC000415034405 394856552 /nfs/dbraw/zinc/85/65/52/394856552.db2.gz JLABLAGYBRNTMH-JYAVWHMHSA-N 2 1 273.767 2.196 20 0 CEADMP CCCCOc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415033953 394856885 /nfs/dbraw/zinc/85/68/85/394856885.db2.gz JDZKGRVKJVARFB-ZSHCYNCHSA-N 2 1 260.381 2.173 20 0 CEADMP Cc1ccc2cc(C[NH2+]C[C@H]3C[NH2+]CCCO3)ccc2n1 ZINC000415039947 394859634 /nfs/dbraw/zinc/85/96/34/394859634.db2.gz NOKXGSQJHRUBJL-MRXNPFEDSA-N 2 1 285.391 2.011 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415041631 394860901 /nfs/dbraw/zinc/86/09/01/394860901.db2.gz LNFDZDXRVLHEED-WMLDXEAASA-N 2 1 289.423 2.363 20 0 CEADMP COc1cc(C)nc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415041631 394860903 /nfs/dbraw/zinc/86/09/03/394860903.db2.gz LNFDZDXRVLHEED-WMLDXEAASA-N 2 1 289.423 2.363 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415041631 394860906 /nfs/dbraw/zinc/86/09/06/394860906.db2.gz LNFDZDXRVLHEED-WMLDXEAASA-N 2 1 289.423 2.363 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423177967 394887373 /nfs/dbraw/zinc/88/73/73/394887373.db2.gz BJRZBWIYQUNPTL-BBWFWOEESA-N 2 1 273.424 2.164 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423245098 394889338 /nfs/dbraw/zinc/88/93/38/394889338.db2.gz INRSEOOSRQOJEL-SZMVWBNQSA-N 3 1 287.451 2.411 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423245098 394889340 /nfs/dbraw/zinc/88/93/40/394889340.db2.gz INRSEOOSRQOJEL-SZMVWBNQSA-N 3 1 287.451 2.411 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000423338668 394891382 /nfs/dbraw/zinc/89/13/82/394891382.db2.gz UTBIUTDVEQPZFP-BZUAXINKSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000423338670 394891538 /nfs/dbraw/zinc/89/15/38/394891538.db2.gz UTBIUTDVEQPZFP-OWCLPIDISA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000364343558 394893602 /nfs/dbraw/zinc/89/36/02/394893602.db2.gz OSUMFZSWCNHOOT-HRCADAONSA-N 2 1 266.429 2.432 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337452179 394894737 /nfs/dbraw/zinc/89/47/37/394894737.db2.gz UQBBDYOJNBMFRB-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CC2=CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423351228 394898003 /nfs/dbraw/zinc/89/80/03/394898003.db2.gz HOWPXEBKVBNHPT-QZTJIDSGSA-N 3 1 285.435 2.331 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2=CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423351228 394898009 /nfs/dbraw/zinc/89/80/09/394898009.db2.gz HOWPXEBKVBNHPT-QZTJIDSGSA-N 3 1 285.435 2.331 20 0 CEADMP CC(C)[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H](C)[NH3+] ZINC000423355728 394898625 /nfs/dbraw/zinc/89/86/25/394898625.db2.gz FZPVGRSOTSVPQE-KFWWJZLASA-N 2 1 297.487 2.233 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415125876 394899428 /nfs/dbraw/zinc/89/94/28/394899428.db2.gz LMAWKMHNWZXMLE-YOEHRIQHSA-N 2 1 299.422 2.177 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2ccnn2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000415135991 394900940 /nfs/dbraw/zinc/90/09/40/394900940.db2.gz WXAYBWUKYRVQQX-CABCVRRESA-N 2 1 284.407 2.289 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000415135991 394900946 /nfs/dbraw/zinc/90/09/46/394900946.db2.gz WXAYBWUKYRVQQX-CABCVRRESA-N 2 1 284.407 2.289 20 0 CEADMP CCOc1c(Cl)cccc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000415139109 394902611 /nfs/dbraw/zinc/90/26/11/394902611.db2.gz ICINJTLNGMINIW-UHFFFAOYSA-N 2 1 298.814 2.024 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337997078 394903471 /nfs/dbraw/zinc/90/34/71/394903471.db2.gz JTBPVHJDRIYCKD-HZPDHXFCSA-N 2 1 266.429 2.266 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C12CCCC2 ZINC000423372200 394904333 /nfs/dbraw/zinc/90/43/33/394904333.db2.gz IAWBNBVXXZTERS-LJISPDSOSA-N 2 1 266.429 2.454 20 0 CEADMP COC[C@@H](C)C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000131682883 394915541 /nfs/dbraw/zinc/91/55/41/394915541.db2.gz VVKAZYPZKDJXHH-HNNXBMFYSA-N 2 1 264.413 2.381 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423420686 394917875 /nfs/dbraw/zinc/91/78/75/394917875.db2.gz JOWJQWFTIJMJSN-YIDVYQOGSA-N 3 1 267.461 2.070 20 0 CEADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423420686 394917881 /nfs/dbraw/zinc/91/78/81/394917881.db2.gz JOWJQWFTIJMJSN-YIDVYQOGSA-N 2 1 267.461 2.070 20 0 CEADMP C[C@@H]1CC[C@H](C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)O1 ZINC000365099321 394918958 /nfs/dbraw/zinc/91/89/58/394918958.db2.gz XRZBMGZLUDTXSE-RHSMWYFYSA-N 2 1 296.455 2.129 20 0 CEADMP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423423256 394919011 /nfs/dbraw/zinc/91/90/11/394919011.db2.gz DTHYVIBKGZDWOH-IAOMBJDPSA-N 2 1 282.391 2.049 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H](CC(C)C)[NH+](C)C)[C@H](C)C1 ZINC000131852032 394919830 /nfs/dbraw/zinc/91/98/30/394919830.db2.gz WRRNYCJYBMFMNP-OAGGEKHMSA-N 2 1 269.477 2.283 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000423441213 394921497 /nfs/dbraw/zinc/92/14/97/394921497.db2.gz BBBKRWFBHYUFMM-TZMCWYRMSA-N 2 1 258.369 2.260 20 0 CEADMP Cc1ccc([C@H](CCn2cncn2)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000423450186 394923040 /nfs/dbraw/zinc/92/30/40/394923040.db2.gz SQCDUZOTOFKTSN-DZKIICNBSA-N 2 1 287.411 2.043 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423458705 394925991 /nfs/dbraw/zinc/92/59/91/394925991.db2.gz HBMCRGCLBNOPBJ-GXTWGEPZSA-N 2 1 258.369 2.260 20 0 CEADMP C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCC[NH+](C[C@H]2CCCO2)CC1 ZINC000338939628 394933019 /nfs/dbraw/zinc/93/30/19/394933019.db2.gz WEKZUWSJIXNCFB-IXDOHACOSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+](C[C@@H]1CCCO1)[C@@H]1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000338939628 394933021 /nfs/dbraw/zinc/93/30/21/394933021.db2.gz WEKZUWSJIXNCFB-IXDOHACOSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+](C[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000338939628 394933023 /nfs/dbraw/zinc/93/30/23/394933023.db2.gz WEKZUWSJIXNCFB-IXDOHACOSA-N 2 1 296.455 2.131 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423499250 394936355 /nfs/dbraw/zinc/93/63/55/394936355.db2.gz JEQNVVLJOQUDFF-VHSSKADRSA-N 2 1 287.451 2.321 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC000132976330 394942102 /nfs/dbraw/zinc/94/21/02/394942102.db2.gz SLKNTWLGYXHWEM-IKGGRYGDSA-N 2 1 281.488 2.427 20 0 CEADMP Cc1c[nH+]ccc1N1CCC[N@H+](C2CCOCC2)CC1 ZINC000366428964 394944315 /nfs/dbraw/zinc/94/43/15/394944315.db2.gz FRNAUTBJNPVXDZ-UHFFFAOYSA-N 2 1 275.396 2.081 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000423523550 394944765 /nfs/dbraw/zinc/94/47/65/394944765.db2.gz SBRZOBSLAMNKNC-ILXRZTDVSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CCCC1 ZINC000423526564 394945831 /nfs/dbraw/zinc/94/58/31/394945831.db2.gz ZMXHKMFDHWCHCA-ODIFPOPNSA-N 2 1 279.472 2.371 20 0 CEADMP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CCCCC1 ZINC000423527247 394945856 /nfs/dbraw/zinc/94/58/56/394945856.db2.gz VNUHWKINKLPXRR-HZPDHXFCSA-N 2 1 267.461 2.229 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000415929130 394981646 /nfs/dbraw/zinc/98/16/46/394981646.db2.gz ILFVYCXEPOHJLB-DOMZBBRYSA-N 2 1 290.411 2.010 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000415941102 394985272 /nfs/dbraw/zinc/98/52/72/394985272.db2.gz GILCQGOZMYMGMI-SWLSCSKDSA-N 2 1 290.411 2.010 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000340487126 394987028 /nfs/dbraw/zinc/98/70/28/394987028.db2.gz YHXLGCIJLWYTIO-JHNDHUHGSA-N 2 1 282.472 2.494 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000340517259 394987746 /nfs/dbraw/zinc/98/77/46/394987746.db2.gz DUVVHLBUAHPEFT-XQLPTFJDSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000152382341 394995517 /nfs/dbraw/zinc/99/55/17/394995517.db2.gz GXGIXHGJNXLYKD-DGADGQDISA-N 2 1 268.445 2.367 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000152382341 394995520 /nfs/dbraw/zinc/99/55/20/394995520.db2.gz GXGIXHGJNXLYKD-DGADGQDISA-N 2 1 268.445 2.367 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000152672945 394998022 /nfs/dbraw/zinc/99/80/22/394998022.db2.gz ZXXLVMWKYCEAQR-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3OCCO4)C[C@H]21 ZINC000342084498 395010103 /nfs/dbraw/zinc/01/01/03/395010103.db2.gz LLLWHSZKROUSLR-BPLDGKMQSA-N 2 1 288.391 2.017 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+]CCn2cc[nH+]c2C)c1 ZINC000286107622 395013614 /nfs/dbraw/zinc/01/36/14/395013614.db2.gz NLTMKUGTHAARJP-JTQLQIEISA-N 2 1 293.392 2.390 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H](O)c2ccccc2)C1 ZINC000286403553 395021304 /nfs/dbraw/zinc/02/13/04/395021304.db2.gz LKWQFGVALVEGDI-DOTOQJQBSA-N 2 1 276.424 2.384 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000286403553 395021307 /nfs/dbraw/zinc/02/13/07/395021307.db2.gz LKWQFGVALVEGDI-DOTOQJQBSA-N 2 1 276.424 2.384 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000286403553 395021310 /nfs/dbraw/zinc/02/13/10/395021310.db2.gz LKWQFGVALVEGDI-DOTOQJQBSA-N 2 1 276.424 2.384 20 0 CEADMP CC(C)COCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339441455 394961216 /nfs/dbraw/zinc/96/12/16/394961216.db2.gz OSEHCNZJTXEMIX-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CC(C)COCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339441455 394961217 /nfs/dbraw/zinc/96/12/17/394961217.db2.gz OSEHCNZJTXEMIX-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CC(C)COCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339441455 394961220 /nfs/dbraw/zinc/96/12/20/394961220.db2.gz OSEHCNZJTXEMIX-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP COC(=O)[C@H](CC(C)C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000285797606 394964947 /nfs/dbraw/zinc/96/49/47/394964947.db2.gz YLHZOLAKUIAHGI-AWEZNQCLSA-N 2 1 281.400 2.101 20 0 CEADMP COC(=O)[C@H](CC(C)C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000285797606 394964952 /nfs/dbraw/zinc/96/49/52/394964952.db2.gz YLHZOLAKUIAHGI-AWEZNQCLSA-N 2 1 281.400 2.101 20 0 CEADMP COCCOCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340208475 394980430 /nfs/dbraw/zinc/98/04/30/394980430.db2.gz JSTXESHYMQEJED-DLBZAZTESA-N 2 1 292.423 2.075 20 0 CEADMP COCCOCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340208475 394980433 /nfs/dbraw/zinc/98/04/33/394980433.db2.gz JSTXESHYMQEJED-DLBZAZTESA-N 2 1 292.423 2.075 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158823124 395054591 /nfs/dbraw/zinc/05/45/91/395054591.db2.gz SCIZWJMVBCKQAS-CJNGLKHVSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158823124 395054593 /nfs/dbraw/zinc/05/45/93/395054593.db2.gz SCIZWJMVBCKQAS-CJNGLKHVSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1noc(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158823124 395054595 /nfs/dbraw/zinc/05/45/95/395054595.db2.gz SCIZWJMVBCKQAS-CJNGLKHVSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1noc(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158823124 395054596 /nfs/dbraw/zinc/05/45/96/395054596.db2.gz SCIZWJMVBCKQAS-CJNGLKHVSA-N 2 1 277.412 2.462 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCOC[C@@H]1CC(C)C ZINC000161878050 395065919 /nfs/dbraw/zinc/06/59/19/395065919.db2.gz MONCPPSYWCIPBO-HNNXBMFYSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000161878050 395065922 /nfs/dbraw/zinc/06/59/22/395065922.db2.gz MONCPPSYWCIPBO-HNNXBMFYSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000163045408 395079110 /nfs/dbraw/zinc/07/91/10/395079110.db2.gz CMPLMBKVUSQOAX-OAHLLOKOSA-N 2 1 287.411 2.195 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000163045408 395079112 /nfs/dbraw/zinc/07/91/12/395079112.db2.gz CMPLMBKVUSQOAX-OAHLLOKOSA-N 2 1 287.411 2.195 20 0 CEADMP CC(C)CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374419369 395081269 /nfs/dbraw/zinc/08/12/69/395081269.db2.gz HBKGWGPFAXBZRR-RRFJBIMHSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@H]1CC[N@@H+](CCC[NH+]2CCCC2)C[C@@H]1n1ccnc1 ZINC000163286593 395083545 /nfs/dbraw/zinc/08/35/45/395083545.db2.gz OTYKIMJDHGKQMS-HOTGVXAUSA-N 3 1 276.428 2.252 20 0 CEADMP C[C@H]1CCN(CCC[NH+]2CCCC2)C[C@@H]1n1ccnc1 ZINC000163286593 395083548 /nfs/dbraw/zinc/08/35/48/395083548.db2.gz OTYKIMJDHGKQMS-HOTGVXAUSA-N 3 1 276.428 2.252 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCc1ccnc(OC2CCCC2)c1 ZINC000343285996 395036165 /nfs/dbraw/zinc/03/61/65/395036165.db2.gz YCFIHAMNRQZFGD-CZUORRHYSA-N 2 1 289.423 2.443 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCn3cc(C)nc32)[C@H](C)C1 ZINC000347416447 395123286 /nfs/dbraw/zinc/12/32/86/395123286.db2.gz IOKYDIRFYXVNKO-BMFZPTHFSA-N 2 1 290.455 2.389 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)CC[C@@H]21 ZINC000347445503 395124536 /nfs/dbraw/zinc/12/45/36/395124536.db2.gz SZMBQNLNOYBKNL-PMPSAXMXSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)CC[C@@H]21 ZINC000347445503 395124543 /nfs/dbraw/zinc/12/45/43/395124543.db2.gz SZMBQNLNOYBKNL-PMPSAXMXSA-N 2 1 266.429 2.362 20 0 CEADMP CC[C@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000291781270 395158078 /nfs/dbraw/zinc/15/80/78/395158078.db2.gz UZFZGDRPQJLLRK-KRWDZBQOSA-N 2 1 294.414 2.193 20 0 CEADMP CCS[C@H]1CCCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351494724 395226001 /nfs/dbraw/zinc/22/60/01/395226001.db2.gz YSULANDONQEOEK-GJZGRUSLSA-N 2 1 286.485 2.049 20 0 CEADMP CCS[C@H]1CCCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351494724 395226008 /nfs/dbraw/zinc/22/60/08/395226008.db2.gz YSULANDONQEOEK-GJZGRUSLSA-N 2 1 286.485 2.049 20 0 CEADMP CCS[C@H]1CCCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351494724 395226014 /nfs/dbraw/zinc/22/60/14/395226014.db2.gz YSULANDONQEOEK-GJZGRUSLSA-N 2 1 286.485 2.049 20 0 CEADMP CCS[C@H]1CCCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351494724 395226017 /nfs/dbraw/zinc/22/60/17/395226017.db2.gz YSULANDONQEOEK-GJZGRUSLSA-N 2 1 286.485 2.049 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000397889386 395229557 /nfs/dbraw/zinc/22/95/57/395229557.db2.gz OYTGGKFBKKEJHV-KBPBESRZSA-N 2 1 299.459 2.221 20 0 CEADMP Oc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000433032399 395191205 /nfs/dbraw/zinc/19/12/05/395191205.db2.gz LWGOJVMBNVFKLY-KFWWJZLASA-N 2 1 272.392 2.076 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000437846953 395199457 /nfs/dbraw/zinc/19/94/57/395199457.db2.gz SDNKRZOSAUSRQU-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437846953 395199463 /nfs/dbraw/zinc/19/94/63/395199463.db2.gz SDNKRZOSAUSRQU-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437846953 395199467 /nfs/dbraw/zinc/19/94/67/395199467.db2.gz SDNKRZOSAUSRQU-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]C2CC(C)(C)C2)CC1 ZINC000433149747 395203899 /nfs/dbraw/zinc/20/38/99/395203899.db2.gz FAUVELJFRIVGSE-UHFFFAOYSA-N 2 1 267.461 2.182 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C[NH3+])C(C)C)C1 ZINC000433158105 395206165 /nfs/dbraw/zinc/20/61/65/395206165.db2.gz IRDSQCJBIZFUGF-GJZGRUSLSA-N 2 1 297.487 2.234 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000397282874 395220838 /nfs/dbraw/zinc/22/08/38/395220838.db2.gz SHXDGPXMIPDLFJ-CPUCHLNUSA-N 2 1 288.435 2.469 20 0 CEADMP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000397601779 395224056 /nfs/dbraw/zinc/22/40/56/395224056.db2.gz NZPHENHJHWHCAH-SFHVURJKSA-N 3 1 287.451 2.240 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](CCOc2cccc(OC)c2)C1 ZINC000420277269 395289948 /nfs/dbraw/zinc/28/99/48/395289948.db2.gz STOWWYCJZLFHGG-CQSZACIVSA-N 2 1 278.396 2.005 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2cccc(OC)c2)C1 ZINC000420277269 395289952 /nfs/dbraw/zinc/28/99/52/395289952.db2.gz STOWWYCJZLFHGG-CQSZACIVSA-N 2 1 278.396 2.005 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2SC)C1 ZINC000420283429 395293014 /nfs/dbraw/zinc/29/30/14/395293014.db2.gz CFNWRMFDYOOSFR-GFCCVEGCSA-N 2 1 250.411 2.450 20 0 CEADMP Cc1cccc([C@@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)c1 ZINC000420322189 395326233 /nfs/dbraw/zinc/32/62/33/395326233.db2.gz SDVDNMGUXXVOLH-KRWDZBQOSA-N 2 1 273.424 2.037 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000353482282 395298725 /nfs/dbraw/zinc/29/87/25/395298725.db2.gz LTMSPSNKOVZBIH-LSDHHAIUSA-N 2 1 266.433 2.372 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000353482282 395298729 /nfs/dbraw/zinc/29/87/29/395298729.db2.gz LTMSPSNKOVZBIH-LSDHHAIUSA-N 2 1 266.433 2.372 20 0 CEADMP CC(C)c1cc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420291692 395299233 /nfs/dbraw/zinc/29/92/33/395299233.db2.gz XPUAPGXXJPEWTI-MLGOLLRUSA-N 2 1 291.443 2.087 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353501997 395299806 /nfs/dbraw/zinc/29/98/06/395299806.db2.gz JZWITODQVPXHKE-UBDQQSCGSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353501997 395299808 /nfs/dbraw/zinc/29/98/08/395299808.db2.gz JZWITODQVPXHKE-UBDQQSCGSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353501997 395299811 /nfs/dbraw/zinc/29/98/11/395299811.db2.gz JZWITODQVPXHKE-UBDQQSCGSA-N 2 1 291.483 2.466 20 0 CEADMP CC(C)[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CCC1 ZINC000420295214 395300480 /nfs/dbraw/zinc/30/04/80/395300480.db2.gz BWZNOTXFFHKZDW-IRXDYDNUSA-N 2 1 276.424 2.180 20 0 CEADMP CC(C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCC1 ZINC000420295214 395300486 /nfs/dbraw/zinc/30/04/86/395300486.db2.gz BWZNOTXFFHKZDW-IRXDYDNUSA-N 2 1 276.424 2.180 20 0 CEADMP CC(C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCC1 ZINC000420295214 395300491 /nfs/dbraw/zinc/30/04/91/395300491.db2.gz BWZNOTXFFHKZDW-IRXDYDNUSA-N 2 1 276.424 2.180 20 0 CEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000420295774 395301895 /nfs/dbraw/zinc/30/18/95/395301895.db2.gz CRXAWKNQQZVNOP-PBHICJAKSA-N 2 1 258.409 2.475 20 0 CEADMP C[C@@](C[NH3+])([NH2+]CCCCC1CCOCC1)C1CC1 ZINC000420296499 395302202 /nfs/dbraw/zinc/30/22/02/395302202.db2.gz CCBCBVUEOIUCNK-HNNXBMFYSA-N 2 1 254.418 2.300 20 0 CEADMP CC(C)C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000420295835 395302246 /nfs/dbraw/zinc/30/22/46/395302246.db2.gz AXTBNPMQEQROQG-UHFFFAOYSA-N 2 1 275.440 2.050 20 0 CEADMP Cc1ccc([C@@H]2CCCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420298459 395304097 /nfs/dbraw/zinc/30/40/97/395304097.db2.gz HDOFKESGWFCZEB-SFHVURJKSA-N 2 1 287.451 2.427 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000420301056 395306402 /nfs/dbraw/zinc/30/64/02/395306402.db2.gz KYLDFOCJZSLZKF-HOCLYGCPSA-N 2 1 292.423 2.096 20 0 CEADMP C[C@H](O)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000420304437 395309696 /nfs/dbraw/zinc/30/96/96/395309696.db2.gz OMCCMMLCTKXXCN-GJZGRUSLSA-N 2 1 268.445 2.392 20 0 CEADMP Fc1cc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Cl ZINC000420306801 395310911 /nfs/dbraw/zinc/31/09/11/395310911.db2.gz BMARARDJMWNCRT-NWDGAFQWSA-N 2 1 298.789 2.399 20 0 CEADMP Fc1cc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1Cl ZINC000420306801 395310915 /nfs/dbraw/zinc/31/09/15/395310915.db2.gz BMARARDJMWNCRT-NWDGAFQWSA-N 2 1 298.789 2.399 20 0 CEADMP COc1cccc(OCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000420305899 395311097 /nfs/dbraw/zinc/31/10/97/395311097.db2.gz KQGUQHGAYTWSQX-RRQGHBQHSA-N 2 1 290.407 2.133 20 0 CEADMP Fc1cc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000420306800 395311164 /nfs/dbraw/zinc/31/11/64/395311164.db2.gz BMARARDJMWNCRT-NEPJUHHUSA-N 2 1 298.789 2.399 20 0 CEADMP Fc1cc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Cl ZINC000420306800 395311167 /nfs/dbraw/zinc/31/11/67/395311167.db2.gz BMARARDJMWNCRT-NEPJUHHUSA-N 2 1 298.789 2.399 20 0 CEADMP CC(C)C[C@@H]1CCCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420305608 395311413 /nfs/dbraw/zinc/31/14/13/395311413.db2.gz PQVVTPLCHJHDQO-INIZCTEOSA-N 2 1 267.461 2.182 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCSC[C@H]2C)cc1 ZINC000420308129 395313389 /nfs/dbraw/zinc/31/33/89/395313389.db2.gz SBAWUPMVSHTORT-OCCSQVGLSA-N 2 1 280.437 2.175 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420311525 395314470 /nfs/dbraw/zinc/31/44/70/395314470.db2.gz HDMKXJVQHUYXFP-DOTOQJQBSA-N 3 1 279.472 2.040 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420311525 395314473 /nfs/dbraw/zinc/31/44/73/395314473.db2.gz HDMKXJVQHUYXFP-DOTOQJQBSA-N 3 1 279.472 2.040 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420311525 395314477 /nfs/dbraw/zinc/31/44/77/395314477.db2.gz HDMKXJVQHUYXFP-DOTOQJQBSA-N 2 1 279.472 2.040 20 0 CEADMP C[N@@H+](CCOc1ccccc1)CC[C@@H]1CCC[NH2+]C1 ZINC000420315311 395320346 /nfs/dbraw/zinc/32/03/46/395320346.db2.gz LPGYHKMTXSTPRQ-HNNXBMFYSA-N 2 1 262.397 2.387 20 0 CEADMP COC(=O)[C@H](c1ccccc1C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420315515 395320367 /nfs/dbraw/zinc/32/03/67/395320367.db2.gz RTGPDXYADCHIQO-HOCLYGCPSA-N 2 1 290.407 2.270 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000419292485 395255272 /nfs/dbraw/zinc/25/52/72/395255272.db2.gz SZGIHENCLWGDBO-CABCVRRESA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000419292485 395255277 /nfs/dbraw/zinc/25/52/77/395255277.db2.gz SZGIHENCLWGDBO-CABCVRRESA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000419292485 395255279 /nfs/dbraw/zinc/25/52/79/395255279.db2.gz SZGIHENCLWGDBO-CABCVRRESA-N 2 1 254.418 2.075 20 0 CEADMP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1nccn1Cc1ccccc1 ZINC000420320285 395324400 /nfs/dbraw/zinc/32/44/00/395324400.db2.gz PYIZTZUDRVKAOB-MRXNPFEDSA-N 2 1 298.434 2.363 20 0 CEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1nccn1Cc1ccccc1 ZINC000420320285 395324403 /nfs/dbraw/zinc/32/44/03/395324403.db2.gz PYIZTZUDRVKAOB-MRXNPFEDSA-N 2 1 298.434 2.363 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)s1 ZINC000420368017 395355985 /nfs/dbraw/zinc/35/59/85/395355985.db2.gz TVTXLVUCMSHCCZ-LBPRGKRZSA-N 2 1 282.409 2.012 20 0 CEADMP CCOc1ccc(OCC[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000420372955 395358575 /nfs/dbraw/zinc/35/85/75/395358575.db2.gz YOUKVJXXXBFNKT-HNNXBMFYSA-N 2 1 280.412 2.427 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000412413694 395358705 /nfs/dbraw/zinc/35/87/05/395358705.db2.gz TZXWFZVOEZUKFR-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000412413694 395358707 /nfs/dbraw/zinc/35/87/07/395358707.db2.gz TZXWFZVOEZUKFR-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000412413694 395358713 /nfs/dbraw/zinc/35/87/13/395358713.db2.gz TZXWFZVOEZUKFR-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP Cn1nccc1[C@@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000420374172 395359902 /nfs/dbraw/zinc/35/99/02/395359902.db2.gz NOYPBKOJSUBPEB-INIZCTEOSA-N 2 1 276.428 2.337 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420374134 395360176 /nfs/dbraw/zinc/36/01/76/395360176.db2.gz NIYAONQHFXCSMZ-DOTOQJQBSA-N 2 1 296.455 2.287 20 0 CEADMP COC[C@H]1CCCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420376336 395362119 /nfs/dbraw/zinc/36/21/19/395362119.db2.gz QLXPNCYFYXRMCV-GJZGRUSLSA-N 2 1 254.418 2.125 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000420379430 395363769 /nfs/dbraw/zinc/36/37/69/395363769.db2.gz QYTTYNAEYLZPIU-NVXWUHKLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000420379430 395363774 /nfs/dbraw/zinc/36/37/74/395363774.db2.gz QYTTYNAEYLZPIU-NVXWUHKLSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000420379127 395364220 /nfs/dbraw/zinc/36/42/20/395364220.db2.gz XLMXYDUNCINBJN-BFQNTYOBSA-N 2 1 293.386 2.130 20 0 CEADMP Cc1nc(C2([NH2+]CCC3CC[NH2+]CC3)CCCC2)no1 ZINC000420382169 395366224 /nfs/dbraw/zinc/36/62/24/395366224.db2.gz YNMXGWCCLNRLNC-UHFFFAOYSA-N 2 1 278.400 2.127 20 0 CEADMP Cc1cccc(C)c1OCCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420397289 395369432 /nfs/dbraw/zinc/36/94/32/395369432.db2.gz XCJRDQGCDBVYMH-INIZCTEOSA-N 2 1 292.423 2.122 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000435727839 395383383 /nfs/dbraw/zinc/38/33/83/395383383.db2.gz GLBOTLUNAHPUGB-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435727839 395383388 /nfs/dbraw/zinc/38/33/88/395383388.db2.gz GLBOTLUNAHPUGB-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435727839 395383393 /nfs/dbraw/zinc/38/33/93/395383393.db2.gz GLBOTLUNAHPUGB-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435727839 395383398 /nfs/dbraw/zinc/38/33/98/395383398.db2.gz GLBOTLUNAHPUGB-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435727839 395383403 /nfs/dbraw/zinc/38/34/03/395383403.db2.gz GLBOTLUNAHPUGB-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCO[C@H]1CCCC[C@H]1C ZINC000442778695 395395116 /nfs/dbraw/zinc/39/51/16/395395116.db2.gz KLEPFDODFWHBKQ-QPSCCSFWSA-N 2 1 254.418 2.251 20 0 CEADMP Cc1ccccc1OCC[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420327390 395329025 /nfs/dbraw/zinc/32/90/25/395329025.db2.gz YQWUAYAATPQOHT-OAHLLOKOSA-N 2 1 262.397 2.305 20 0 CEADMP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341886 395336696 /nfs/dbraw/zinc/33/66/96/395336696.db2.gz QOQWNXCAKVGVKA-UPJWGTAASA-N 2 1 292.427 2.360 20 0 CEADMP C[N@@H+](CCCc1cccc2ccccc21)C[C@H](O)C[NH3+] ZINC000420348930 395338981 /nfs/dbraw/zinc/33/89/81/395338981.db2.gz BESBHDOJIPKBPS-MRXNPFEDSA-N 2 1 272.392 2.024 20 0 CEADMP C[N@@H+](CCCOc1cccc(C(C)(C)C)c1)C[C@@H](O)C[NH3+] ZINC000420359928 395346627 /nfs/dbraw/zinc/34/66/27/395346627.db2.gz WJSMKMUSCRQMNG-HNNXBMFYSA-N 2 1 294.439 2.004 20 0 CEADMP COC(=O)CC1(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000440712289 395347290 /nfs/dbraw/zinc/34/72/90/395347290.db2.gz LOQLUVXJQJBSFY-UHFFFAOYSA-N 2 1 282.428 2.134 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)C[C@H]2C)CC1 ZINC000412046435 395347870 /nfs/dbraw/zinc/34/78/70/395347870.db2.gz RGJRKHFKKVMUME-CQSZACIVSA-N 2 1 295.471 2.096 20 0 CEADMP COc1ccc(OCCC[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1 ZINC000420362845 395349586 /nfs/dbraw/zinc/34/95/86/395349586.db2.gz IZRVCUNFYQSHPJ-CKEIUWERSA-N 2 1 292.423 2.440 20 0 CEADMP C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364124 395350353 /nfs/dbraw/zinc/35/03/53/395350353.db2.gz CQIKHAMEMIKCMT-SJLPKXTDSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364124 395350355 /nfs/dbraw/zinc/35/03/55/395350355.db2.gz CQIKHAMEMIKCMT-SJLPKXTDSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364124 395350359 /nfs/dbraw/zinc/35/03/59/395350359.db2.gz CQIKHAMEMIKCMT-SJLPKXTDSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364124 395350364 /nfs/dbraw/zinc/35/03/64/395350364.db2.gz CQIKHAMEMIKCMT-SJLPKXTDSA-N 2 1 291.483 2.325 20 0 CEADMP C(C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364124 395350369 /nfs/dbraw/zinc/35/03/69/395350369.db2.gz CQIKHAMEMIKCMT-SJLPKXTDSA-N 2 1 291.483 2.325 20 0 CEADMP C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364124 395350372 /nfs/dbraw/zinc/35/03/72/395350372.db2.gz CQIKHAMEMIKCMT-SJLPKXTDSA-N 2 1 291.483 2.325 20 0 CEADMP C(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364124 395350378 /nfs/dbraw/zinc/35/03/78/395350378.db2.gz CQIKHAMEMIKCMT-SJLPKXTDSA-N 2 1 291.483 2.325 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000355319313 395409309 /nfs/dbraw/zinc/40/93/09/395409309.db2.gz GAGWOEBTEZNCSV-KFWWJZLASA-N 2 1 277.412 2.375 20 0 CEADMP COC(=O)[C@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C[C@H]1C ZINC000355380248 395429329 /nfs/dbraw/zinc/42/93/29/395429329.db2.gz HWQQHIRMXXZIRR-HIFRSBDPSA-N 2 1 293.411 2.103 20 0 CEADMP COC(=O)[C@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C[C@H]1C ZINC000355380248 395429331 /nfs/dbraw/zinc/42/93/31/395429331.db2.gz HWQQHIRMXXZIRR-HIFRSBDPSA-N 2 1 293.411 2.103 20 0 CEADMP C[C@H](C[NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000566294048 395510774 /nfs/dbraw/zinc/51/07/74/395510774.db2.gz PMUBDXSQZXIKIT-HUUCEWRRSA-N 2 1 295.471 2.084 20 0 CEADMP CCCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C1CCC1 ZINC000566415766 395520336 /nfs/dbraw/zinc/52/03/36/395520336.db2.gz JPDXKUIVYZYBHT-CABCVRRESA-N 2 1 256.434 2.248 20 0 CEADMP Cc1[nH+]cc(CNC[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1C ZINC000566496577 395531387 /nfs/dbraw/zinc/53/13/87/395531387.db2.gz JOYCXEZJNMTUIM-CJNGLKHVSA-N 2 1 278.444 2.329 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](COC)C2CCCC2)CC1 ZINC000446757558 395498901 /nfs/dbraw/zinc/49/89/01/395498901.db2.gz BSYMTVQQZMTLKK-HNNXBMFYSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1C ZINC000446909425 395501970 /nfs/dbraw/zinc/50/19/70/395501970.db2.gz YOYRNQWNYYXTQJ-AAEUAGOBSA-N 2 1 295.452 2.022 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000573694624 395616259 /nfs/dbraw/zinc/61/62/59/395616259.db2.gz FZYJUZHHHVVGHJ-BBRMVZONSA-N 2 1 282.403 2.001 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000573694624 395616261 /nfs/dbraw/zinc/61/62/61/395616261.db2.gz FZYJUZHHHVVGHJ-BBRMVZONSA-N 2 1 282.403 2.001 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000573694624 395616264 /nfs/dbraw/zinc/61/62/64/395616264.db2.gz FZYJUZHHHVVGHJ-BBRMVZONSA-N 2 1 282.403 2.001 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000573694624 395616266 /nfs/dbraw/zinc/61/62/66/395616266.db2.gz FZYJUZHHHVVGHJ-BBRMVZONSA-N 2 1 282.403 2.001 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)Nc1nc(C)ncc1C ZINC000569471045 395578735 /nfs/dbraw/zinc/57/87/35/395578735.db2.gz FWSUTRKIGYXMKT-LBPRGKRZSA-N 2 1 250.390 2.048 20 0 CEADMP C[C@@H](C[NH2+]Cc1ccnn1C1CCCC1)C[NH+](C)C ZINC000451173698 395587384 /nfs/dbraw/zinc/58/73/84/395587384.db2.gz SSIFYGUNCSSKGH-ZDUSSCGKSA-N 2 1 264.417 2.286 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CC2(O)CCC2)C1 ZINC000573954080 395622368 /nfs/dbraw/zinc/62/23/68/395622368.db2.gz SIRLNEAONLRJNN-GASCZTMLSA-N 2 1 268.445 2.249 20 0 CEADMP CCc1cc(N[C@H]2CCc3[nH]cnc3C2)nc(C)n1 ZINC000574733457 395635985 /nfs/dbraw/zinc/63/59/85/395635985.db2.gz XXEQTUGPNBRIAX-NSHDSACASA-N 2 1 257.341 2.040 20 0 CEADMP CC[NH2+]CCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000575038284 395644367 /nfs/dbraw/zinc/64/43/67/395644367.db2.gz KKKBCMRKLWOASI-UHFFFAOYSA-N 2 1 275.440 2.240 20 0 CEADMP C[NH+](C)Cc1ccccc1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000575326955 395659281 /nfs/dbraw/zinc/65/92/81/395659281.db2.gz KYKYDMSSNOIJCN-UHFFFAOYSA-N 2 1 289.423 2.419 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493916087 395677859 /nfs/dbraw/zinc/67/78/59/395677859.db2.gz GRIXNNLMDYGNOJ-QLFBSQMISA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@@H+]1C ZINC000493916120 395677890 /nfs/dbraw/zinc/67/78/90/395677890.db2.gz GWECLKRUULOXGW-XLWJZTARSA-N 2 1 264.413 2.016 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@H+]1C ZINC000493916120 395677891 /nfs/dbraw/zinc/67/78/91/395677891.db2.gz GWECLKRUULOXGW-XLWJZTARSA-N 2 1 264.413 2.016 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)CC[N@@H+]1C ZINC000647343018 395706621 /nfs/dbraw/zinc/70/66/21/395706621.db2.gz AIGJBDPJCDLSGJ-RQJABVFESA-N 2 1 254.418 2.405 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)CC[N@H+]1C ZINC000647343018 395706622 /nfs/dbraw/zinc/70/66/22/395706622.db2.gz AIGJBDPJCDLSGJ-RQJABVFESA-N 2 1 254.418 2.405 20 0 CEADMP COC(C)(C)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000346620958 292054257 /nfs/dbraw/zinc/05/42/57/292054257.db2.gz RSTQNKGZWBZVNR-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP COC(C)(C)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000346620958 292054258 /nfs/dbraw/zinc/05/42/58/292054258.db2.gz RSTQNKGZWBZVNR-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@H+](C)C2CC[NH2+]CC2)o1 ZINC000647484083 395720714 /nfs/dbraw/zinc/72/07/14/395720714.db2.gz ZDXJEWXXINEAJX-UHFFFAOYSA-N 2 1 288.395 2.172 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)C2CC[NH2+]CC2)o1 ZINC000647484083 395720716 /nfs/dbraw/zinc/72/07/16/395720716.db2.gz ZDXJEWXXINEAJX-UHFFFAOYSA-N 2 1 288.395 2.172 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccnn2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000647497302 395721485 /nfs/dbraw/zinc/72/14/85/395721485.db2.gz CCIHIXIEFCROFX-YOEHRIQHSA-N 2 1 284.407 2.432 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccnn2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000647497302 395721487 /nfs/dbraw/zinc/72/14/87/395721487.db2.gz CCIHIXIEFCROFX-YOEHRIQHSA-N 2 1 284.407 2.432 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)n1 ZINC000647498161 395721792 /nfs/dbraw/zinc/72/17/92/395721792.db2.gz BPNSIVTVUGLDTQ-OCCSQVGLSA-N 2 1 263.385 2.040 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)n1 ZINC000647498161 395721794 /nfs/dbraw/zinc/72/17/94/395721794.db2.gz BPNSIVTVUGLDTQ-OCCSQVGLSA-N 2 1 263.385 2.040 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nccc2ccccc21 ZINC000647509222 395723545 /nfs/dbraw/zinc/72/35/45/395723545.db2.gz WGBAPZWQALSAKM-QWHCGFSZSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCc2ccccc2Cl)C1 ZINC000647549140 395733001 /nfs/dbraw/zinc/73/30/01/395733001.db2.gz JSRFZORBHHUWBW-WCQYABFASA-N 2 1 252.789 2.470 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000647536647 395729030 /nfs/dbraw/zinc/72/90/30/395729030.db2.gz PJEJPNSZELZYNF-INIZCTEOSA-N 2 1 255.365 2.406 20 0 CEADMP CCOc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])nc1 ZINC000647541387 395730557 /nfs/dbraw/zinc/73/05/57/395730557.db2.gz ISKSCGJPAXLKPF-AWEZNQCLSA-N 2 1 263.385 2.184 20 0 CEADMP CCOc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])nc1 ZINC000647541387 395730560 /nfs/dbraw/zinc/73/05/60/395730560.db2.gz ISKSCGJPAXLKPF-AWEZNQCLSA-N 2 1 263.385 2.184 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccn1 ZINC000647544101 395731507 /nfs/dbraw/zinc/73/15/07/395731507.db2.gz WTTXXJOXHWGOJG-CVEARBPZSA-N 2 1 259.397 2.293 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1([NH3+])CCCCC1 ZINC000647610548 395737594 /nfs/dbraw/zinc/73/75/94/395737594.db2.gz XXAYFWDCKRXFAB-ZDUSSCGKSA-N 2 1 292.427 2.174 20 0 CEADMP c1cc([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc2c1NCC2 ZINC000647800070 395757367 /nfs/dbraw/zinc/75/73/67/395757367.db2.gz ZENYAUXGTONYPX-MELADBBJSA-N 2 1 257.381 2.455 20 0 CEADMP CC[C@H]1C[N@H+](CC(=O)N(C(C)C)C2CCCC2)CC[C@@H]1[NH3+] ZINC000647936874 395779603 /nfs/dbraw/zinc/77/96/03/395779603.db2.gz MQDCPYIOPBFTJD-HOCLYGCPSA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@H]1C[N@@H+](CC(=O)N(C(C)C)C2CCCC2)CC[C@@H]1[NH3+] ZINC000647936874 395779605 /nfs/dbraw/zinc/77/96/05/395779605.db2.gz MQDCPYIOPBFTJD-HOCLYGCPSA-N 2 1 295.471 2.225 20 0 CEADMP CC[N@H+](CCc1ccccc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000647958839 395785667 /nfs/dbraw/zinc/78/56/67/395785667.db2.gz GWRXZSPGKUEMPZ-KRWDZBQOSA-N 2 1 278.440 2.252 20 0 CEADMP CC[N@@H+](CCc1ccccc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000647958839 395785669 /nfs/dbraw/zinc/78/56/69/395785669.db2.gz GWRXZSPGKUEMPZ-KRWDZBQOSA-N 2 1 278.440 2.252 20 0 CEADMP CC[NH+](CCc1ccccc1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647958839 395785671 /nfs/dbraw/zinc/78/56/71/395785671.db2.gz GWRXZSPGKUEMPZ-KRWDZBQOSA-N 2 1 278.440 2.252 20 0 CEADMP CC[NH+](CCc1ccccc1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647958839 395785673 /nfs/dbraw/zinc/78/56/73/395785673.db2.gz GWRXZSPGKUEMPZ-KRWDZBQOSA-N 2 1 278.440 2.252 20 0 CEADMP CCCC[C@H](C[NH3+])NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000647875042 395767196 /nfs/dbraw/zinc/76/71/96/395767196.db2.gz SRJDELPOFCAXPF-CHWSQXEVSA-N 2 1 280.416 2.030 20 0 CEADMP C([C@@H]1CC[NH2+]C1)[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000647889476 395769795 /nfs/dbraw/zinc/76/97/95/395769795.db2.gz USLMEBLIARDCGS-UKRRQHHQSA-N 2 1 252.402 2.020 20 0 CEADMP OCCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000647890085 395770168 /nfs/dbraw/zinc/77/01/68/395770168.db2.gz PATYXGLNZYXCND-CRAIPNDOSA-N 2 1 288.435 2.358 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCS[C@H]2CCCC[C@H]21 ZINC000647966527 395789561 /nfs/dbraw/zinc/78/95/61/395789561.db2.gz WYZXIQHQPDIJNJ-ZNMIVQPWSA-N 2 1 286.485 2.048 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@H]2CCCC[C@H]21 ZINC000647966527 395789563 /nfs/dbraw/zinc/78/95/63/395789563.db2.gz WYZXIQHQPDIJNJ-ZNMIVQPWSA-N 2 1 286.485 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000647966527 395789566 /nfs/dbraw/zinc/78/95/66/395789566.db2.gz WYZXIQHQPDIJNJ-ZNMIVQPWSA-N 2 1 286.485 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000647966527 395789567 /nfs/dbraw/zinc/78/95/67/395789567.db2.gz WYZXIQHQPDIJNJ-ZNMIVQPWSA-N 2 1 286.485 2.048 20 0 CEADMP C[C@H](C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)C(C)(C)C ZINC000648072063 395825799 /nfs/dbraw/zinc/82/57/99/395825799.db2.gz JVJCRPDTKKVCMH-CQSZACIVSA-N 2 1 268.445 2.465 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000648137149 395843461 /nfs/dbraw/zinc/84/34/61/395843461.db2.gz JYPMLIPKIIIWFU-UONOGXRCSA-N 2 1 292.427 2.127 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc(C[NH3+])o1 ZINC000648150747 395846636 /nfs/dbraw/zinc/84/66/36/395846636.db2.gz RQDKXLQAMQREQU-UHFFFAOYSA-N 2 1 293.411 2.075 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC000647978326 395794321 /nfs/dbraw/zinc/79/43/21/395794321.db2.gz PZEMMLWLKOCDRB-DLBZAZTESA-N 3 1 279.472 2.088 20 0 CEADMP COCC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978859 395794388 /nfs/dbraw/zinc/79/43/88/395794388.db2.gz ZLEMCBKWWSIVAJ-ZNMIVQPWSA-N 2 1 254.418 2.123 20 0 CEADMP Clc1ccccc1O[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647989877 395796388 /nfs/dbraw/zinc/79/63/88/395796388.db2.gz AHAALUZOXHQROM-QWHCGFSZSA-N 2 1 280.799 2.403 20 0 CEADMP Clc1ccccc1O[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647989877 395796391 /nfs/dbraw/zinc/79/63/91/395796391.db2.gz AHAALUZOXHQROM-QWHCGFSZSA-N 2 1 280.799 2.403 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000647987766 395796805 /nfs/dbraw/zinc/79/68/05/395796805.db2.gz YEXWVFODCNSCSD-IRXDYDNUSA-N 3 1 279.472 2.230 20 0 CEADMP CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000647995215 395798119 /nfs/dbraw/zinc/79/81/19/395798119.db2.gz FYAJDEFGSGZQCN-ZIAGYGMSSA-N 2 1 254.418 2.110 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)CCO1 ZINC000648413279 395904309 /nfs/dbraw/zinc/90/43/09/395904309.db2.gz RGZCQIKFIDPKNZ-NWANDNLSSA-N 2 1 265.401 2.375 20 0 CEADMP CO[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000648871167 396006181 /nfs/dbraw/zinc/00/61/81/396006181.db2.gz QWCVDHCBVCTLMS-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP CO[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000648871167 396006183 /nfs/dbraw/zinc/00/61/83/396006183.db2.gz QWCVDHCBVCTLMS-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000649414320 396147956 /nfs/dbraw/zinc/14/79/56/396147956.db2.gz STVBUUZOHGSBLR-GOEBONIOSA-N 2 1 273.424 2.327 20 0 CEADMP CCc1cnc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000649418294 396149238 /nfs/dbraw/zinc/14/92/38/396149238.db2.gz YFOMANAFOLYPLY-UONOGXRCSA-N 2 1 277.412 2.449 20 0 CEADMP CC[C@H]1C[N@H+](CCCn2cc[nH+]c2C)[C@@H](CC)CO1 ZINC000649719670 396239828 /nfs/dbraw/zinc/23/98/28/396239828.db2.gz VHXCVJXCHNKBDI-GJZGRUSLSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@H]1C[N@@H+](CCCn2cc[nH+]c2C)[C@@H](CC)CO1 ZINC000649719670 396239830 /nfs/dbraw/zinc/23/98/30/396239830.db2.gz VHXCVJXCHNKBDI-GJZGRUSLSA-N 2 1 265.401 2.471 20 0 CEADMP CC(C)(C)OCCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649625614 396214882 /nfs/dbraw/zinc/21/48/82/396214882.db2.gz NIBQRYKYPZYBCR-UHFFFAOYSA-N 2 1 298.471 2.018 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000649632769 396216837 /nfs/dbraw/zinc/21/68/37/396216837.db2.gz XDDLYKPSYMSKQJ-IPMKNSEASA-N 2 1 299.462 2.287 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000649632769 396216839 /nfs/dbraw/zinc/21/68/39/396216839.db2.gz XDDLYKPSYMSKQJ-IPMKNSEASA-N 2 1 299.462 2.287 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000649632769 396216842 /nfs/dbraw/zinc/21/68/42/396216842.db2.gz XDDLYKPSYMSKQJ-IPMKNSEASA-N 2 1 299.462 2.287 20 0 CEADMP COc1ncncc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000647171529 396428350 /nfs/dbraw/zinc/42/83/50/396428350.db2.gz MRUWEFJFLUIJKS-AWEZNQCLSA-N 2 1 292.427 2.229 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccnn1CC(C)C ZINC000647179580 396430937 /nfs/dbraw/zinc/43/09/37/396430937.db2.gz FNMZQMNSUMKBBX-AWEZNQCLSA-N 2 1 289.427 2.470 20 0 CEADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000335560229 400352688 /nfs/dbraw/zinc/35/26/88/400352688.db2.gz ACGRKJKEYPNPQL-KBPBESRZSA-N 2 1 296.361 2.215 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccnn2C(C)C)CC[C@@H]1[NH3+] ZINC000394659474 400551506 /nfs/dbraw/zinc/55/15/06/400551506.db2.gz ZLMUYSWDWHJODB-JSGCOSHPSA-N 2 1 250.390 2.023 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccnn2C(C)C)CC[C@@H]1[NH3+] ZINC000394659474 400551510 /nfs/dbraw/zinc/55/15/10/400551510.db2.gz ZLMUYSWDWHJODB-JSGCOSHPSA-N 2 1 250.390 2.023 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000398084776 400560834 /nfs/dbraw/zinc/56/08/34/400560834.db2.gz HVCYIDHWKJUCQB-BPQIPLTHSA-N 2 1 287.451 2.381 20 0 CEADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000359855204 155151756 /nfs/dbraw/zinc/15/17/56/155151756.db2.gz ZPEKBNRJVXASBB-UHFFFAOYSA-N 2 1 293.459 2.149 20 0 CEADMP CC(C)(C)n1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000650708907 400999544 /nfs/dbraw/zinc/99/95/44/400999544.db2.gz UPVIYIAKHGYDDD-HOCLYGCPSA-N 2 1 276.428 2.199 20 0 CEADMP CC(C)(C)n1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000650708907 400999547 /nfs/dbraw/zinc/99/95/47/400999547.db2.gz UPVIYIAKHGYDDD-HOCLYGCPSA-N 2 1 276.428 2.199 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCO3)[C@H]1CC[NH3+] ZINC000650711311 401001398 /nfs/dbraw/zinc/00/13/98/401001398.db2.gz PFTSOPGPWWZRJO-HIFRSBDPSA-N 2 1 290.407 2.407 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2nccc3ccccc32)C[C@H]1C[NH3+] ZINC000650715235 401005933 /nfs/dbraw/zinc/00/59/33/401005933.db2.gz VMIXYPVEQJTQNP-RHSMWYFYSA-N 2 1 285.391 2.030 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000650720299 401010286 /nfs/dbraw/zinc/01/02/86/401010286.db2.gz KZTSBWMYLSQRRY-CJNGLKHVSA-N 2 1 261.413 2.026 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(O)c2)C1 ZINC000650721904 401010971 /nfs/dbraw/zinc/01/09/71/401010971.db2.gz FOTUTEUQWWZRQF-OIISXLGYSA-N 2 1 290.407 2.253 20 0 CEADMP Cc1ncsc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650722984 401012212 /nfs/dbraw/zinc/01/22/12/401012212.db2.gz FRHFQSIEHICEBA-MGPQQGTHSA-N 2 1 295.452 2.312 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)N(C)c1ccccc1 ZINC000359944135 155173392 /nfs/dbraw/zinc/17/33/92/155173392.db2.gz SENIZQRCVWYQFQ-VYDXJSESSA-N 2 1 275.440 2.441 20 0 CEADMP CC[C@@H]([NH2+][C@H]1CNc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000650747543 401023807 /nfs/dbraw/zinc/02/38/07/401023807.db2.gz BYIYCWWOASVTFM-FMKPAKJESA-N 2 1 259.397 2.143 20 0 CEADMP C[C@H]([NH2+]C1(CO)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000360013611 155190655 /nfs/dbraw/zinc/19/06/55/155190655.db2.gz HAHFJBRNAONJGX-DOTOQJQBSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)C1CC1 ZINC000360034594 155198253 /nfs/dbraw/zinc/19/82/53/155198253.db2.gz DQKLTOQJMWRLAK-CQSZACIVSA-N 2 1 273.424 2.477 20 0 CEADMP CC[N@@H+](CCC[NH2+][C@@H]1CCOC1)C1CCCCC1 ZINC000651910266 401414300 /nfs/dbraw/zinc/41/43/00/401414300.db2.gz NGBAJGQSKUZJLE-CQSZACIVSA-N 2 1 254.418 2.410 20 0 CEADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000360073337 155208067 /nfs/dbraw/zinc/20/80/67/155208067.db2.gz FXCXMMOBSWXKBN-BBBYJDLNSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]([NH2+][C@H](CO)CCF)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000652017760 401433786 /nfs/dbraw/zinc/43/37/86/401433786.db2.gz BXJKBAYJVFPVJR-UAGQMJEPSA-N 2 1 294.414 2.207 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000652222569 401466946 /nfs/dbraw/zinc/46/69/46/401466946.db2.gz RRRQHZAZIJJJTG-CYBMUJFWSA-N 2 1 252.406 2.049 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000652222569 401466948 /nfs/dbraw/zinc/46/69/48/401466948.db2.gz RRRQHZAZIJJJTG-CYBMUJFWSA-N 2 1 252.406 2.049 20 0 CEADMP c1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nn2c1CCC2 ZINC000652341041 401490706 /nfs/dbraw/zinc/49/07/06/401490706.db2.gz YEEGNFWKMIZEIJ-HUUCEWRRSA-N 2 1 288.439 2.041 20 0 CEADMP C[C@H](c1cccnc1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349038 401491523 /nfs/dbraw/zinc/49/15/23/401491523.db2.gz ZWUZEWFLCDDFIV-BSWAZPDLSA-N 2 1 289.423 2.361 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1(C)C ZINC000247170945 286172091 /nfs/dbraw/zinc/17/20/91/286172091.db2.gz SNVIFBMYIJZYKX-GUIRCDHDSA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1(C)C ZINC000247170945 286172095 /nfs/dbraw/zinc/17/20/95/286172095.db2.gz SNVIFBMYIJZYKX-GUIRCDHDSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000360484714 155311348 /nfs/dbraw/zinc/31/13/48/155311348.db2.gz QMSRZBFUIDDXRV-ZIAGYGMSSA-N 2 1 286.423 2.425 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cnn(C)c1 ZINC000360496996 155312977 /nfs/dbraw/zinc/31/29/77/155312977.db2.gz XAJHVFIRQATAFT-GFCCVEGCSA-N 2 1 262.401 2.088 20 0 CEADMP COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000360541851 155325428 /nfs/dbraw/zinc/32/54/28/155325428.db2.gz HRIFHBGTBAQLQT-HIFRSBDPSA-N 2 1 293.411 2.245 20 0 CEADMP COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000360541851 155325431 /nfs/dbraw/zinc/32/54/31/155325431.db2.gz HRIFHBGTBAQLQT-HIFRSBDPSA-N 2 1 293.411 2.245 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000360701676 155355071 /nfs/dbraw/zinc/35/50/71/155355071.db2.gz GHJDVWWQUUGVIC-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP COc1ccc(OCC[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000094024583 286346402 /nfs/dbraw/zinc/34/64/02/286346402.db2.gz OYAVUMJQFMEOOE-UHFFFAOYSA-N 2 1 278.396 2.005 20 0 CEADMP Cn1nccc1CN1C[C@H]2C[N@@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000360790105 155373958 /nfs/dbraw/zinc/37/39/58/155373958.db2.gz ARPXZETUGPDNGI-NXHRZFHOSA-N 2 1 296.418 2.155 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CC[C@H](C)O2)CC1 ZINC000188548825 153057915 /nfs/dbraw/zinc/05/79/15/153057915.db2.gz IZPOULZJPVIKGG-DZGCQCFKSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@H]1COCC[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000192601773 153210770 /nfs/dbraw/zinc/21/07/70/153210770.db2.gz PJJFJOCRVWMWNF-NUEKZKHPSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1COCC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000192601773 153210771 /nfs/dbraw/zinc/21/07/71/153210771.db2.gz PJJFJOCRVWMWNF-NUEKZKHPSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H](O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192723709 153216964 /nfs/dbraw/zinc/21/69/64/153216964.db2.gz HFMRMBPIRYIUQB-FCLXEUQJSA-N 2 1 274.408 2.455 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CCCOCc3ccccc3)C[C@@H]2C1 ZINC000193596541 153237848 /nfs/dbraw/zinc/23/78/48/153237848.db2.gz AYVVFTDUPXNUHT-CALCHBBNSA-N 2 1 274.408 2.087 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCCOCc3ccccc3)C[C@@H]2C1 ZINC000193596541 153237851 /nfs/dbraw/zinc/23/78/51/153237851.db2.gz AYVVFTDUPXNUHT-CALCHBBNSA-N 2 1 274.408 2.087 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCCOCc3ccccc3)C[C@@H]2C1 ZINC000193596541 153237854 /nfs/dbraw/zinc/23/78/54/153237854.db2.gz AYVVFTDUPXNUHT-CALCHBBNSA-N 2 1 274.408 2.087 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H]3CCOC[C@H]3C)CC2)[nH+]1 ZINC000195038234 153273316 /nfs/dbraw/zinc/27/33/16/153273316.db2.gz FZYJPLVCZDYDFL-CJNGLKHVSA-N 2 1 289.423 2.373 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000219772222 153300981 /nfs/dbraw/zinc/30/09/81/153300981.db2.gz NPJSXSMTYZCHSR-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000219772222 153300984 /nfs/dbraw/zinc/30/09/84/153300984.db2.gz NPJSXSMTYZCHSR-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H](CC[NH3+])[NH2+]Cc1ccccc1Br ZINC000220530029 153306810 /nfs/dbraw/zinc/30/68/10/153306810.db2.gz SMQAPOVYUBTZKZ-SECBINFHSA-N 2 1 257.175 2.276 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cn1 ZINC000221909567 153310752 /nfs/dbraw/zinc/31/07/52/153310752.db2.gz NUPNQNHHBNEROW-ZDUSSCGKSA-N 2 1 252.406 2.284 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cn1 ZINC000221909567 153310753 /nfs/dbraw/zinc/31/07/53/153310753.db2.gz NUPNQNHHBNEROW-ZDUSSCGKSA-N 2 1 252.406 2.284 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000223216969 153318539 /nfs/dbraw/zinc/31/85/39/153318539.db2.gz FQVSULQDBLFSKT-XYPHTWIQSA-N 2 1 292.398 2.210 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000223216969 153318544 /nfs/dbraw/zinc/31/85/44/153318544.db2.gz FQVSULQDBLFSKT-XYPHTWIQSA-N 2 1 292.398 2.210 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000228028536 153355248 /nfs/dbraw/zinc/35/52/48/153355248.db2.gz LXDRNGVFQVMMPW-UHFFFAOYSA-N 2 1 274.412 2.463 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]CCC[N@H+](C)C(C)C ZINC000228028536 153355250 /nfs/dbraw/zinc/35/52/50/153355250.db2.gz LXDRNGVFQVMMPW-UHFFFAOYSA-N 2 1 274.412 2.463 20 0 CEADMP C[C@@H](O)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000228081576 153357441 /nfs/dbraw/zinc/35/74/41/153357441.db2.gz ZEQVXXCKGLGVGJ-LSDHHAIUSA-N 2 1 276.424 2.400 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@](C)(O)CC1 ZINC000230375964 153394621 /nfs/dbraw/zinc/39/46/21/153394621.db2.gz YCQHHJLNQZDLNX-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000230375964 153394625 /nfs/dbraw/zinc/39/46/25/153394625.db2.gz YCQHHJLNQZDLNX-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP COc1ccc([C@H](CO)[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414707217 286373833 /nfs/dbraw/zinc/37/38/33/286373833.db2.gz YQBZYTDJFGQCEB-CPUCHLNUSA-N 2 1 292.423 2.049 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263076546 154014848 /nfs/dbraw/zinc/01/48/48/154014848.db2.gz XCNHMEQXZVJXSW-WBTNSWJXSA-N 2 1 295.471 2.131 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263243822 154041507 /nfs/dbraw/zinc/04/15/07/154041507.db2.gz PADZLRKZFXGCIS-VYDXJSESSA-N 2 1 295.471 2.275 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnc(C)nc2C)C1 ZINC000268834222 154145531 /nfs/dbraw/zinc/14/55/31/154145531.db2.gz LLIMTFIDLUULCM-DOMZBBRYSA-N 2 1 276.428 2.476 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnc(C)nc2C)C1 ZINC000268834222 154145534 /nfs/dbraw/zinc/14/55/34/154145534.db2.gz LLIMTFIDLUULCM-DOMZBBRYSA-N 2 1 276.428 2.476 20 0 CEADMP Cc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)cc[nH+]1 ZINC000302550551 154188966 /nfs/dbraw/zinc/18/89/66/154188966.db2.gz IBNXGEIYKFSUEA-HNNXBMFYSA-N 2 1 293.436 2.010 20 0 CEADMP Cc1oc2ccccc2c1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313337504 154208009 /nfs/dbraw/zinc/20/80/09/154208009.db2.gz IZPYZEHGSNNLDY-CYBMUJFWSA-N 2 1 274.364 2.291 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)CCCO1 ZINC000313342555 154208280 /nfs/dbraw/zinc/20/82/80/154208280.db2.gz GKLNNUQRTZZULY-KRWDZBQOSA-N 2 1 270.376 2.389 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+]1CCCC[C@@H]1C ZINC000349116836 154311454 /nfs/dbraw/zinc/31/14/54/154311454.db2.gz HUYOMKZUWRTPRD-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000349116836 154311458 /nfs/dbraw/zinc/31/14/58/154311458.db2.gz HUYOMKZUWRTPRD-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000349116836 154311464 /nfs/dbraw/zinc/31/14/64/154311464.db2.gz HUYOMKZUWRTPRD-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@]2(C)CCCC[C@@H]2O)s1 ZINC000352753565 154332308 /nfs/dbraw/zinc/33/23/08/154332308.db2.gz FLEARNYUUDKSHC-DZGCQCFKSA-N 2 1 297.468 2.236 20 0 CEADMP CC(C)C[C@H](CNCc1ncc(C[NH+](C)C)s1)[NH+](C)C ZINC000352779090 154337523 /nfs/dbraw/zinc/33/75/23/154337523.db2.gz JPHPIUUOWBDXIR-CYBMUJFWSA-N 2 1 298.500 2.271 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC000356981914 154368354 /nfs/dbraw/zinc/36/83/54/154368354.db2.gz KYBINOPHJDKBPV-GJZGRUSLSA-N 2 1 295.427 2.477 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC000356981914 154368360 /nfs/dbraw/zinc/36/83/60/154368360.db2.gz KYBINOPHJDKBPV-GJZGRUSLSA-N 2 1 295.427 2.477 20 0 CEADMP CC(C)c1csc([C@@H]2CCC[N@@H+](CCOCC[NH3+])C2)n1 ZINC000357079474 154371441 /nfs/dbraw/zinc/37/14/41/154371441.db2.gz SRLHTMPQBXKYAH-CYBMUJFWSA-N 2 1 297.468 2.421 20 0 CEADMP Cc1ccc(C[N@H+](CCOCC[NH3+])C(C)C)s1 ZINC000357073338 154371791 /nfs/dbraw/zinc/37/17/91/154371791.db2.gz LFQLCELJUDOBDH-UHFFFAOYSA-N 2 1 256.415 2.242 20 0 CEADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])CC[C@H]1c1ccccc1 ZINC000357078639 154373359 /nfs/dbraw/zinc/37/33/59/154373359.db2.gz LQYTVPWIASCYDC-GDBMZVCRSA-N 2 1 262.397 2.087 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cnn(C)c1 ZINC000357860417 154393039 /nfs/dbraw/zinc/39/30/39/154393039.db2.gz XBDFRJJWLFUHJN-CYBMUJFWSA-N 2 1 264.417 2.193 20 0 CEADMP COCCCCC[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000337067397 292317234 /nfs/dbraw/zinc/31/72/34/292317234.db2.gz KTRHPAXNRXXYAN-IRXDYDNUSA-N 2 1 276.424 2.477 20 0 CEADMP Fc1ccc2oc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000359457498 155019667 /nfs/dbraw/zinc/01/96/67/155019667.db2.gz OEVPJVSZXKVDGT-RYUDHWBXSA-N 2 1 260.312 2.223 20 0 CEADMP Fc1ccc2oc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000359457499 155020201 /nfs/dbraw/zinc/02/02/01/155020201.db2.gz OEVPJVSZXKVDGT-TXEJJXNPSA-N 2 1 260.312 2.223 20 0 CEADMP Fc1ccc2oc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000359457499 155020204 /nfs/dbraw/zinc/02/02/04/155020204.db2.gz OEVPJVSZXKVDGT-TXEJJXNPSA-N 2 1 260.312 2.223 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000359618333 155081410 /nfs/dbraw/zinc/08/14/10/155081410.db2.gz KFJFNZIQXLESFR-FUHWJXTLSA-N 3 1 289.467 2.438 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1NCCC[N@H+](C)Cc1ccccc1 ZINC000359618333 155081412 /nfs/dbraw/zinc/08/14/12/155081412.db2.gz KFJFNZIQXLESFR-FUHWJXTLSA-N 3 1 289.467 2.438 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000359618333 155081415 /nfs/dbraw/zinc/08/14/15/155081415.db2.gz KFJFNZIQXLESFR-FUHWJXTLSA-N 3 1 289.467 2.438 20 0 CEADMP CO[C@H](C)[C@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000361529444 155577443 /nfs/dbraw/zinc/57/74/43/155577443.db2.gz YBLGNIUNHDBXKE-UONOGXRCSA-N 2 1 277.412 2.372 20 0 CEADMP CCCCOC(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363559555 156027356 /nfs/dbraw/zinc/02/73/56/156027356.db2.gz FOPAGQXNZOZZKP-BZUAXINKSA-N 2 1 294.439 2.136 20 0 CEADMP CCCCOC(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363559555 156027361 /nfs/dbraw/zinc/02/73/61/156027361.db2.gz FOPAGQXNZOZZKP-BZUAXINKSA-N 2 1 294.439 2.136 20 0 CEADMP CCCCOC(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363559555 156027363 /nfs/dbraw/zinc/02/73/63/156027363.db2.gz FOPAGQXNZOZZKP-BZUAXINKSA-N 2 1 294.439 2.136 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOCC2(CCC2)C1 ZINC000363889364 156050691 /nfs/dbraw/zinc/05/06/91/156050691.db2.gz SIOUYHUVFFYRIQ-UHFFFAOYSA-N 2 1 277.412 2.474 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOCC2(CCC2)C1 ZINC000363889364 156050698 /nfs/dbraw/zinc/05/06/98/156050698.db2.gz SIOUYHUVFFYRIQ-UHFFFAOYSA-N 2 1 277.412 2.474 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)C[NH+]1CCCC1 ZINC000367593610 156207681 /nfs/dbraw/zinc/20/76/81/156207681.db2.gz HZZMZIPOMNYTCN-GXTWGEPZSA-N 2 1 262.401 2.109 20 0 CEADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCn2ccnc2)CC1 ZINC000367590449 156208993 /nfs/dbraw/zinc/20/89/93/156208993.db2.gz RVNXCJANVKGWIP-OAHLLOKOSA-N 2 1 276.428 2.222 20 0 CEADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](CCCn2ccnc2)CC1 ZINC000367590449 156208997 /nfs/dbraw/zinc/20/89/97/156208997.db2.gz RVNXCJANVKGWIP-OAHLLOKOSA-N 2 1 276.428 2.222 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(O)c2)[C@H]2CCC[C@@H]21 ZINC000367599154 156214663 /nfs/dbraw/zinc/21/46/63/156214663.db2.gz GRTORPLBEGCJHO-PMPSAXMXSA-N 2 1 260.381 2.355 20 0 CEADMP Cc1csc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000367613233 156219610 /nfs/dbraw/zinc/21/96/10/156219610.db2.gz BYYOAWNEDWJKRS-UPJWGTAASA-N 2 1 265.426 2.414 20 0 CEADMP Cc1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000367613233 156219613 /nfs/dbraw/zinc/21/96/13/156219613.db2.gz BYYOAWNEDWJKRS-UPJWGTAASA-N 2 1 265.426 2.414 20 0 CEADMP CCC[C@@H](C)C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367719586 156230483 /nfs/dbraw/zinc/23/04/83/156230483.db2.gz IOLKHALFCJLSCX-IAGOWNOFSA-N 2 1 281.488 2.382 20 0 CEADMP CC(C)[C@H](O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000368394580 156338907 /nfs/dbraw/zinc/33/89/07/156338907.db2.gz WCYTUAHJQSXRIB-GOEBONIOSA-N 2 1 280.456 2.200 20 0 CEADMP CC(C)SCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374910963 157027121 /nfs/dbraw/zinc/02/71/21/157027121.db2.gz KTZWUAMWVQWRGF-HOTGVXAUSA-N 2 1 299.528 2.086 20 0 CEADMP C[C@@H](O)C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375608733 157116490 /nfs/dbraw/zinc/11/64/90/157116490.db2.gz SOKQMHJFIVAGIB-NVXWUHKLSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@@H](O)C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000375608733 157116493 /nfs/dbraw/zinc/11/64/93/157116493.db2.gz SOKQMHJFIVAGIB-NVXWUHKLSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@@H](O)C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000375608733 157116496 /nfs/dbraw/zinc/11/64/96/157116496.db2.gz SOKQMHJFIVAGIB-NVXWUHKLSA-N 2 1 276.424 2.354 20 0 CEADMP C[N@@H+]1C[C@H]2CN(Cc3cc(-c4ccccc4)on3)C[C@H]2C1 ZINC000375723786 157131706 /nfs/dbraw/zinc/13/17/06/157131706.db2.gz RVCWSLZGPKYAFL-GASCZTMLSA-N 2 1 283.375 2.335 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nccn2C(F)F)[C@H]2CCC[C@H]21 ZINC000375897184 157158097 /nfs/dbraw/zinc/15/80/97/157158097.db2.gz DZNHODYSOIWPGX-GRYCIOLGSA-N 2 1 284.354 2.241 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2nccn2C(F)F)[C@H]2CCC[C@H]21 ZINC000375897184 157158100 /nfs/dbraw/zinc/15/81/00/157158100.db2.gz DZNHODYSOIWPGX-GRYCIOLGSA-N 2 1 284.354 2.241 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccncc3)C2)CC1 ZINC000376002345 157175345 /nfs/dbraw/zinc/17/53/45/157175345.db2.gz ZIPSQDPHPDVOEF-UHFFFAOYSA-N 2 1 259.397 2.389 20 0 CEADMP CC(C)Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000376284333 157205532 /nfs/dbraw/zinc/20/55/32/157205532.db2.gz YTLIEFCLLMWULJ-JKSUJKDBSA-N 2 1 276.428 2.256 20 0 CEADMP CC(C)Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000376284333 157205538 /nfs/dbraw/zinc/20/55/38/157205538.db2.gz YTLIEFCLLMWULJ-JKSUJKDBSA-N 2 1 276.428 2.256 20 0 CEADMP C[N@H+]1CC[C@@H](C(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000547825093 298380251 /nfs/dbraw/zinc/38/02/51/298380251.db2.gz UBEKRSRYFCCLOU-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H](CC(=O)NCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000164989717 162339707 /nfs/dbraw/zinc/33/97/07/162339707.db2.gz YJJZFSIKSVPLPR-OWCLPIDISA-N 2 1 295.471 2.003 20 0 CEADMP COCCC[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000178786816 165259602 /nfs/dbraw/zinc/25/96/02/165259602.db2.gz XMJQQQUOZULFDA-ZDUSSCGKSA-N 2 1 253.390 2.376 20 0 CEADMP c1ccc(CN2CCC[N@H+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178978298 165266936 /nfs/dbraw/zinc/26/69/36/165266936.db2.gz STCCSXMJXKCZGV-UHFFFAOYSA-N 2 1 287.451 2.194 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000180122545 165296640 /nfs/dbraw/zinc/29/66/40/165296640.db2.gz ZCGCSPACVOTFLS-UHFFFAOYSA-N 2 1 264.417 2.354 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000180122545 165296645 /nfs/dbraw/zinc/29/66/45/165296645.db2.gz ZCGCSPACVOTFLS-UHFFFAOYSA-N 2 1 264.417 2.354 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000180122545 165296652 /nfs/dbraw/zinc/29/66/52/165296652.db2.gz ZCGCSPACVOTFLS-UHFFFAOYSA-N 2 1 264.417 2.354 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000181714749 165353430 /nfs/dbraw/zinc/35/34/30/165353430.db2.gz VLVOLUZBMAROFH-BFHYXJOUSA-N 2 1 256.434 2.102 20 0 CEADMP CC[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285631430 196350338 /nfs/dbraw/zinc/35/03/38/196350338.db2.gz RGZYSRVVMZKBDZ-ROUUACIJSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285631430 196350340 /nfs/dbraw/zinc/35/03/40/196350340.db2.gz RGZYSRVVMZKBDZ-ROUUACIJSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285631430 196350341 /nfs/dbraw/zinc/35/03/41/196350341.db2.gz RGZYSRVVMZKBDZ-ROUUACIJSA-N 2 1 288.435 2.355 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037256127 173066948 /nfs/dbraw/zinc/06/69/48/173066948.db2.gz SVUUQENTRTVLAN-ZDUSSCGKSA-N 2 1 262.397 2.310 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000040600009 174350520 /nfs/dbraw/zinc/35/05/20/174350520.db2.gz PMAAXGGZBPZWFP-ZDUSSCGKSA-N 2 1 266.360 2.136 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000040600009 174350522 /nfs/dbraw/zinc/35/05/22/174350522.db2.gz PMAAXGGZBPZWFP-ZDUSSCGKSA-N 2 1 266.360 2.136 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000040600838 174351012 /nfs/dbraw/zinc/35/10/12/174351012.db2.gz ZQIUSSHRHARSOT-MRXNPFEDSA-N 2 1 284.407 2.304 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000040622687 174355520 /nfs/dbraw/zinc/35/55/20/174355520.db2.gz YIXSVXIGMWDYCS-AWEZNQCLSA-N 2 1 290.407 2.278 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000040622687 174355522 /nfs/dbraw/zinc/35/55/22/174355522.db2.gz YIXSVXIGMWDYCS-AWEZNQCLSA-N 2 1 290.407 2.278 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000122349587 414789095 /nfs/dbraw/zinc/78/90/95/414789095.db2.gz LOXAVEBBMMTSIX-WBVHZDCISA-N 2 1 284.407 2.432 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000122349587 414789101 /nfs/dbraw/zinc/78/91/01/414789101.db2.gz LOXAVEBBMMTSIX-WBVHZDCISA-N 2 1 284.407 2.432 20 0 CEADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCCO1 ZINC000653874166 414767512 /nfs/dbraw/zinc/76/75/12/414767512.db2.gz CCMFFYOAGRRBND-KKUMJFAQSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662839980 414769349 /nfs/dbraw/zinc/76/93/49/414769349.db2.gz WBNMHWXGAWZTOT-AESZEHBQSA-N 2 1 293.455 2.027 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000652756326 414782455 /nfs/dbraw/zinc/78/24/55/414782455.db2.gz BDESMWMIKUOUTL-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000652756326 414782457 /nfs/dbraw/zinc/78/24/57/414782457.db2.gz BDESMWMIKUOUTL-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000652756326 414782462 /nfs/dbraw/zinc/78/24/62/414782462.db2.gz BDESMWMIKUOUTL-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404440968 414782783 /nfs/dbraw/zinc/78/27/83/414782783.db2.gz UQSAWTGKKUUHQX-CMPLNLGQSA-N 2 1 253.415 2.401 20 0 CEADMP Clc1ccc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000051889907 414747905 /nfs/dbraw/zinc/74/79/05/414747905.db2.gz BYSXIOGZFGTQDU-ZDUSSCGKSA-N 2 1 279.815 2.072 20 0 CEADMP CCO[C@@H]1C[N@H+](Cc2ccc(C)c(Cl)c2)C[C@H]1C[NH3+] ZINC000405356048 414794796 /nfs/dbraw/zinc/79/47/96/414794796.db2.gz YCHFDWNSELXMKN-UKRRQHHQSA-N 2 1 282.815 2.444 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccc(C)c(Cl)c2)C[C@H]1C[NH3+] ZINC000405356048 414794802 /nfs/dbraw/zinc/79/48/02/414794802.db2.gz YCHFDWNSELXMKN-UKRRQHHQSA-N 2 1 282.815 2.444 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657285011 414829529 /nfs/dbraw/zinc/82/95/29/414829529.db2.gz UWVJVAPZBSTXJA-CYBMUJFWSA-N 2 1 296.463 2.028 20 0 CEADMP CCOc1ccc(C[NH2+]CCC[NH+](C)C)c(C)c1 ZINC000657287288 414832185 /nfs/dbraw/zinc/83/21/85/414832185.db2.gz JYKMFPLQFXHDTG-UHFFFAOYSA-N 2 1 250.386 2.435 20 0 CEADMP COCc1csc(C[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000657334800 414866574 /nfs/dbraw/zinc/86/65/74/414866574.db2.gz HPNLVEITSMFLKF-NSHDSACASA-N 2 1 256.415 2.324 20 0 CEADMP C(C[N@H+]1CCC[C@@H](N2CCOCC2)CC1)C1CCC1 ZINC000660472070 414839851 /nfs/dbraw/zinc/83/98/51/414839851.db2.gz BTJDPVHSUDEIOX-MRXNPFEDSA-N 2 1 266.429 2.363 20 0 CEADMP Cc1c[nH]c(CNCCC[N@H+](C)Cc2ccccc2)n1 ZINC000657295697 414840681 /nfs/dbraw/zinc/84/06/81/414840681.db2.gz JNXSIMHIHNFKPZ-UHFFFAOYSA-N 2 1 272.396 2.330 20 0 CEADMP COCC[NH+](CCOC)C1CC[NH+](CCC2CCC2)CC1 ZINC000660545291 414867280 /nfs/dbraw/zinc/86/72/80/414867280.db2.gz SFDHAPCQTNRYCD-UHFFFAOYSA-N 2 1 298.471 2.236 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657312184 414850777 /nfs/dbraw/zinc/85/07/77/414850777.db2.gz DTQYFRIIKBXMEG-HUUCEWRRSA-N 2 1 290.455 2.287 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)C1=CCCC1)C1CC1 ZINC000308769508 414854866 /nfs/dbraw/zinc/85/48/66/414854866.db2.gz YKWUVEQNTBTPPG-OAHLLOKOSA-N 2 1 266.429 2.168 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)C1=CCCC1)C1CC1 ZINC000308769508 414854872 /nfs/dbraw/zinc/85/48/72/414854872.db2.gz YKWUVEQNTBTPPG-OAHLLOKOSA-N 2 1 266.429 2.168 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NCc1cnc2n1CCC2 ZINC000657325900 414859936 /nfs/dbraw/zinc/85/99/36/414859936.db2.gz AEHRAMNJYFCJJD-ZIAGYGMSSA-N 2 1 276.428 2.039 20 0 CEADMP C[C@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1cnc2n1CCC2 ZINC000657325900 414859939 /nfs/dbraw/zinc/85/99/39/414859939.db2.gz AEHRAMNJYFCJJD-ZIAGYGMSSA-N 2 1 276.428 2.039 20 0 CEADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000663344217 414921874 /nfs/dbraw/zinc/92/18/74/414921874.db2.gz PHSIEWMCVDLDGX-OAHLLOKOSA-N 2 1 289.423 2.302 20 0 CEADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000663344217 414921877 /nfs/dbraw/zinc/92/18/77/414921877.db2.gz PHSIEWMCVDLDGX-OAHLLOKOSA-N 2 1 289.423 2.302 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)CC1CCCC1)C2 ZINC000660661757 414922287 /nfs/dbraw/zinc/92/22/87/414922287.db2.gz GDRYIBRACVAKPB-DLBZAZTESA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)CC1CCCC1)C2 ZINC000660661757 414922293 /nfs/dbraw/zinc/92/22/93/414922293.db2.gz GDRYIBRACVAKPB-DLBZAZTESA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)CC1CCCC1)C2 ZINC000660661757 414922299 /nfs/dbraw/zinc/92/22/99/414922299.db2.gz GDRYIBRACVAKPB-DLBZAZTESA-N 2 1 280.456 2.345 20 0 CEADMP CC1CCC(O)(C[NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000663342900 414922543 /nfs/dbraw/zinc/92/25/43/414922543.db2.gz UDBXAEYODWCSQU-UHFFFAOYSA-N 2 1 277.412 2.178 20 0 CEADMP COCC1(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)CCC1 ZINC000660664701 414923839 /nfs/dbraw/zinc/92/38/39/414923839.db2.gz RRTWCQYKXDORSH-OAHLLOKOSA-N 2 1 266.429 2.221 20 0 CEADMP Cc1cnccc1CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661667 414924682 /nfs/dbraw/zinc/92/46/82/414924682.db2.gz DUROEGMYQSQNFC-QGZVFWFLSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1cnccc1CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661667 414924689 /nfs/dbraw/zinc/92/46/89/414924689.db2.gz DUROEGMYQSQNFC-QGZVFWFLSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1cnccc1CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661667 414924694 /nfs/dbraw/zinc/92/46/94/414924694.db2.gz DUROEGMYQSQNFC-QGZVFWFLSA-N 2 1 273.424 2.350 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc3c[nH]nc3c1)C2 ZINC000660663084 414925641 /nfs/dbraw/zinc/92/56/41/414925641.db2.gz NBVCCFICOFXSJM-QGZVFWFLSA-N 2 1 284.407 2.481 20 0 CEADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3c[nH]nc3c1)C2 ZINC000660663084 414925644 /nfs/dbraw/zinc/92/56/44/414925644.db2.gz NBVCCFICOFXSJM-QGZVFWFLSA-N 2 1 284.407 2.481 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3c[nH]nc3c1)C2 ZINC000660663084 414925648 /nfs/dbraw/zinc/92/56/48/414925648.db2.gz NBVCCFICOFXSJM-QGZVFWFLSA-N 2 1 284.407 2.481 20 0 CEADMP c1n[nH]cc1CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678666 414931877 /nfs/dbraw/zinc/93/18/77/414931877.db2.gz XVKSOIKCGDMKPV-UHFFFAOYSA-N 2 1 284.407 2.206 20 0 CEADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000657434396 414932905 /nfs/dbraw/zinc/93/29/05/414932905.db2.gz HJQWFBWAZPCBMZ-RBSFLKMASA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000657434396 414932910 /nfs/dbraw/zinc/93/29/10/414932910.db2.gz HJQWFBWAZPCBMZ-RBSFLKMASA-N 2 1 254.418 2.002 20 0 CEADMP Cc1ccc([C@H]([NH3+])C(=O)NCCC[N@H+](C)CC(C)C)cc1 ZINC000653176097 414936482 /nfs/dbraw/zinc/93/64/82/414936482.db2.gz KATAFBDSLVHLSI-INIZCTEOSA-N 2 1 291.439 2.089 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000657355057 414879724 /nfs/dbraw/zinc/87/97/24/414879724.db2.gz ANMFRZOJAMSCDS-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000657355057 414879728 /nfs/dbraw/zinc/87/97/28/414879728.db2.gz ANMFRZOJAMSCDS-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP COCc1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000657376566 414896561 /nfs/dbraw/zinc/89/65/61/414896561.db2.gz SEPRPHPDSHNBRQ-WCQYABFASA-N 2 1 268.426 2.467 20 0 CEADMP COCc1csc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000657376566 414896566 /nfs/dbraw/zinc/89/65/66/414896566.db2.gz SEPRPHPDSHNBRQ-WCQYABFASA-N 2 1 268.426 2.467 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(Cc3cnc4ccccc4n3)C2)C1 ZINC000660617904 414899307 /nfs/dbraw/zinc/89/93/07/414899307.db2.gz ZUZMVXHCAWNFET-KRWDZBQOSA-N 2 1 282.391 2.157 20 0 CEADMP CC(C)(C)C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657596621 415018830 /nfs/dbraw/zinc/01/88/30/415018830.db2.gz XVFGJSAKOVZVOC-INIZCTEOSA-N 2 1 276.424 2.389 20 0 CEADMP CC[N@@H+](CCCNC(=O)CC(C)(C)[NH3+])C1CCCCC1 ZINC000653201058 414945645 /nfs/dbraw/zinc/94/56/45/414945645.db2.gz YTCJJQXZNYLQIC-UHFFFAOYSA-N 2 1 283.460 2.275 20 0 CEADMP CC[C@H]1C[N@@H+](CC)CCN1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660734988 414950159 /nfs/dbraw/zinc/95/01/59/414950159.db2.gz GLBQRFUBBHVYOI-BBWFWOEESA-N 2 1 281.488 2.380 20 0 CEADMP CC[C@H]1C[NH+](CC)CCN1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660734988 414950162 /nfs/dbraw/zinc/95/01/62/414950162.db2.gz GLBQRFUBBHVYOI-BBWFWOEESA-N 2 1 281.488 2.380 20 0 CEADMP CC[C@H]1C[NH+](CC)CCN1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660734988 414950164 /nfs/dbraw/zinc/95/01/64/414950164.db2.gz GLBQRFUBBHVYOI-BBWFWOEESA-N 2 1 281.488 2.380 20 0 CEADMP CC1CCC(O)(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000663463547 414960490 /nfs/dbraw/zinc/96/04/90/414960490.db2.gz DWABHOCKEUPVQB-MXGMQVIZSA-N 2 1 280.456 2.390 20 0 CEADMP CC1CCC(O)(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000663463545 414961198 /nfs/dbraw/zinc/96/11/98/414961198.db2.gz DWABHOCKEUPVQB-CUQMJCILSA-N 2 1 280.456 2.390 20 0 CEADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471795 414964845 /nfs/dbraw/zinc/96/48/45/414964845.db2.gz YHXIXEHATXMDEH-GUTXKFCHSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCOC1 ZINC000663470621 414965566 /nfs/dbraw/zinc/96/55/66/414965566.db2.gz VMTWUGREVYHWMG-NUEKZKHPSA-N 2 1 266.429 2.123 20 0 CEADMP COCC1(C)CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000653597375 415049591 /nfs/dbraw/zinc/04/95/91/415049591.db2.gz MMGGYARVQLDQME-UHFFFAOYSA-N 2 1 265.401 2.101 20 0 CEADMP CC1(C)[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1(F)F ZINC000657738962 415065999 /nfs/dbraw/zinc/06/59/99/415065999.db2.gz OXPSSNZWUURPCT-TUAOUCFPSA-N 2 1 258.356 2.494 20 0 CEADMP Cc1cc(CO)cc(NC2CC([NH+]3CCCCC3)C2)[nH+]1 ZINC000663864428 415073571 /nfs/dbraw/zinc/07/35/71/415073571.db2.gz RBNHNHYRSKGVJV-UHFFFAOYSA-N 2 1 275.396 2.311 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](C)CCC1CCCCC1 ZINC000653535244 415027417 /nfs/dbraw/zinc/02/74/17/415027417.db2.gz MEJJVRIBGPAYLO-HNNXBMFYSA-N 2 1 256.434 2.201 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCC1CCCCC1 ZINC000653535244 415027421 /nfs/dbraw/zinc/02/74/21/415027421.db2.gz MEJJVRIBGPAYLO-HNNXBMFYSA-N 2 1 256.434 2.201 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCC1CCCCC1 ZINC000653535244 415027425 /nfs/dbraw/zinc/02/74/25/415027425.db2.gz MEJJVRIBGPAYLO-HNNXBMFYSA-N 2 1 256.434 2.201 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)CCO2 ZINC000660903727 415029088 /nfs/dbraw/zinc/02/90/88/415029088.db2.gz KGQZPUBJUNAUOB-OAGGEKHMSA-N 2 1 278.440 2.219 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000660926157 415037833 /nfs/dbraw/zinc/03/78/33/415037833.db2.gz MHMJCJXROGBESQ-GXTWGEPZSA-N 2 1 292.414 2.491 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(C)CC1(F)F ZINC000657664141 415041094 /nfs/dbraw/zinc/04/10/94/415041094.db2.gz IETKMAUADWMOTQ-LBPRGKRZSA-N 2 1 255.312 2.283 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)O1 ZINC000657667694 415043657 /nfs/dbraw/zinc/04/36/57/415043657.db2.gz BLZZYEYZBAPBGP-LXTVHRRPSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1(C)C ZINC000658004282 415153649 /nfs/dbraw/zinc/15/36/49/415153649.db2.gz XKDHPALVVSRAMD-PMPSAXMXSA-N 2 1 293.499 2.427 20 0 CEADMP FCC1(CF)CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000657837109 415101013 /nfs/dbraw/zinc/10/10/13/415101013.db2.gz DLMSIMNKTGJFNO-QWHCGFSZSA-N 2 1 258.356 2.291 20 0 CEADMP FCC1(CF)CC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000657837109 415101016 /nfs/dbraw/zinc/10/10/16/415101016.db2.gz DLMSIMNKTGJFNO-QWHCGFSZSA-N 2 1 258.356 2.291 20 0 CEADMP CC(C)O[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000653778172 415104199 /nfs/dbraw/zinc/10/41/99/415104199.db2.gz IKEHRTODQJJNPW-OAHLLOKOSA-N 2 1 265.401 2.242 20 0 CEADMP CC(C)O[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000653778172 415104201 /nfs/dbraw/zinc/10/42/01/415104201.db2.gz IKEHRTODQJJNPW-OAHLLOKOSA-N 2 1 265.401 2.242 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657869524 415109383 /nfs/dbraw/zinc/10/93/83/415109383.db2.gz JJPULFONQGPZGG-JSGCOSHPSA-N 2 1 263.385 2.129 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCSCC1 ZINC000657879945 415112578 /nfs/dbraw/zinc/11/25/78/415112578.db2.gz NKWSLKXZSIABHF-GJZGRUSLSA-N 2 1 286.485 2.099 20 0 CEADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cnn(C)c1 ZINC000044495346 175182614 /nfs/dbraw/zinc/18/26/14/175182614.db2.gz AHFNNWWJGVJVPF-AWEZNQCLSA-N 2 1 264.417 2.193 20 0 CEADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cnn(C)c1 ZINC000044495300 175182921 /nfs/dbraw/zinc/18/29/21/175182921.db2.gz FNMZLNMFXSZFIS-NSHDSACASA-N 2 1 264.417 2.380 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1C ZINC000658228101 415263251 /nfs/dbraw/zinc/26/32/51/415263251.db2.gz GBEOQIQNRQOYSN-OWCLPIDISA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000658228101 415263259 /nfs/dbraw/zinc/26/32/59/415263259.db2.gz GBEOQIQNRQOYSN-OWCLPIDISA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000658228101 415263261 /nfs/dbraw/zinc/26/32/61/415263261.db2.gz GBEOQIQNRQOYSN-OWCLPIDISA-N 2 1 279.472 2.466 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000661440422 415265129 /nfs/dbraw/zinc/26/51/29/415265129.db2.gz CQHWEVWNNJEOFK-DZGCQCFKSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000661440422 415265135 /nfs/dbraw/zinc/26/51/35/415265135.db2.gz CQHWEVWNNJEOFK-DZGCQCFKSA-N 2 1 265.401 2.065 20 0 CEADMP CCc1cc(C)nc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000664195323 415221466 /nfs/dbraw/zinc/22/14/66/415221466.db2.gz BSXVUVPAETTYPO-AWEZNQCLSA-N 2 1 293.459 2.031 20 0 CEADMP CCc1cc(C)nc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000664195323 415221473 /nfs/dbraw/zinc/22/14/73/415221473.db2.gz BSXVUVPAETTYPO-AWEZNQCLSA-N 2 1 293.459 2.031 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1noc(C(C)(C)C)n1 ZINC000664195755 415221768 /nfs/dbraw/zinc/22/17/68/415221768.db2.gz FAPXKWRRSJWDKQ-LBPRGKRZSA-N 2 1 297.447 2.051 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1noc(C(C)(C)C)n1 ZINC000664195755 415221772 /nfs/dbraw/zinc/22/17/72/415221772.db2.gz FAPXKWRRSJWDKQ-LBPRGKRZSA-N 2 1 297.447 2.051 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C/C=C\CO)cc1 ZINC000658136801 415227070 /nfs/dbraw/zinc/22/70/70/415227070.db2.gz YEQAPPWHFXFHTP-DHCBQETCSA-N 2 1 271.364 2.380 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661496663 415292491 /nfs/dbraw/zinc/29/24/91/415292491.db2.gz ORRAHAHSVBDDGZ-HRCADAONSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661496663 415292498 /nfs/dbraw/zinc/29/24/98/415292498.db2.gz ORRAHAHSVBDDGZ-HRCADAONSA-N 2 1 266.429 2.219 20 0 CEADMP CC1(C)[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1(F)F ZINC000658280648 415292658 /nfs/dbraw/zinc/29/26/58/415292658.db2.gz JTENNFHPGRONPE-GFCCVEGCSA-N 2 1 258.356 2.494 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661496663 415292503 /nfs/dbraw/zinc/29/25/03/415292503.db2.gz ORRAHAHSVBDDGZ-HRCADAONSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000655698452 415394925 /nfs/dbraw/zinc/39/49/25/415394925.db2.gz DOIXKSAALWXKRZ-IAGOWNOFSA-N 2 1 288.435 2.337 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CS1 ZINC000655691587 415389991 /nfs/dbraw/zinc/38/99/91/415389991.db2.gz VXILKHUULBIXCH-RQJABVFESA-N 2 1 254.443 2.487 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CS1 ZINC000655691587 415389994 /nfs/dbraw/zinc/38/99/94/415389994.db2.gz VXILKHUULBIXCH-RQJABVFESA-N 2 1 254.443 2.487 20 0 CEADMP FC1(F)CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655745601 415431481 /nfs/dbraw/zinc/43/14/81/415431481.db2.gz ABSWEKRJBJROTJ-UONOGXRCSA-N 2 1 288.382 2.407 20 0 CEADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CCCCS1 ZINC000655754964 415436072 /nfs/dbraw/zinc/43/60/72/415436072.db2.gz ZGCMSUOMQUDLCL-CABCVRRESA-N 2 1 284.469 2.115 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CS1 ZINC000655772335 415450808 /nfs/dbraw/zinc/45/08/08/415450808.db2.gz NOKDUARZWNQPAN-PJIALRRASA-N 2 1 254.443 2.485 20 0 CEADMP FC1CCC(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655779106 415458734 /nfs/dbraw/zinc/45/87/34/415458734.db2.gz CGJCKWUTHIOHOW-XUJLQICISA-N 2 1 284.419 2.358 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]Cc2cccc3cnccc32)CC1 ZINC000655789273 415469070 /nfs/dbraw/zinc/46/90/70/415469070.db2.gz YOEWSGCTCNEZPQ-UHFFFAOYSA-N 2 1 299.418 2.171 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC1 ZINC000655840437 415511161 /nfs/dbraw/zinc/51/11/61/415511161.db2.gz TVWYMLDCJJETDJ-IRXDYDNUSA-N 2 1 288.435 2.497 20 0 CEADMP CC(C)(CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000655939399 415558412 /nfs/dbraw/zinc/55/84/12/415558412.db2.gz PGFGDBLKNRAXEK-OAHLLOKOSA-N 2 1 295.471 2.132 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995583 415566236 /nfs/dbraw/zinc/56/62/36/415566236.db2.gz IECNXASGZIACTA-UHFFFAOYSA-N 2 1 289.423 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995583 415566241 /nfs/dbraw/zinc/56/62/41/415566241.db2.gz IECNXASGZIACTA-UHFFFAOYSA-N 2 1 289.423 2.473 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000070074598 175870615 /nfs/dbraw/zinc/87/06/15/175870615.db2.gz BVMUFBKLGMWRGD-WFASDCNBSA-N 2 1 276.380 2.032 20 0 CEADMP CN(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656196100 415630576 /nfs/dbraw/zinc/63/05/76/415630576.db2.gz YVAGCTJLBFMILH-IKGGRYGDSA-N 2 1 275.440 2.019 20 0 CEADMP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1OC ZINC000665242272 415645054 /nfs/dbraw/zinc/64/50/54/415645054.db2.gz QXDLGSNSOWGSIC-OBJOEFQTSA-N 2 1 278.396 2.147 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C12CCCCC2 ZINC000665242564 415646209 /nfs/dbraw/zinc/64/62/09/415646209.db2.gz BEDNBIOIAWJAED-IHRRRGAJSA-N 2 1 252.402 2.066 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000665265512 415658427 /nfs/dbraw/zinc/65/84/27/415658427.db2.gz XDSMLIKYHMSLFX-UONOGXRCSA-N 2 1 262.401 2.047 20 0 CEADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000665266817 415661842 /nfs/dbraw/zinc/66/18/42/415661842.db2.gz KGKGBIQVXPEJBY-QLFBSQMISA-N 2 1 265.445 2.253 20 0 CEADMP CCC(CC)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)OC ZINC000656260919 415664549 /nfs/dbraw/zinc/66/45/49/415664549.db2.gz YSPAQLDSKYPXBM-HNNXBMFYSA-N 2 1 284.444 2.035 20 0 CEADMP c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665278053 415669362 /nfs/dbraw/zinc/66/93/62/415669362.db2.gz UCDOVYPWNBFTOG-JYDDWQFKSA-N 2 1 286.419 2.496 20 0 CEADMP C[NH2+]C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000665296843 415682146 /nfs/dbraw/zinc/68/21/46/415682146.db2.gz YREUZTCPBXHCBE-YQQAZPJKSA-N 2 1 275.440 2.095 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000071146575 176042709 /nfs/dbraw/zinc/04/27/09/176042709.db2.gz OFUVZEOBPHPAEM-GFCCVEGCSA-N 2 1 295.814 2.210 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000071146816 176042760 /nfs/dbraw/zinc/04/27/60/176042760.db2.gz BTTGVIVYGSMCSE-ZDUSSCGKSA-N 2 1 278.396 2.054 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000071146816 176042762 /nfs/dbraw/zinc/04/27/62/176042762.db2.gz BTTGVIVYGSMCSE-ZDUSSCGKSA-N 2 1 278.396 2.054 20 0 CEADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000071148704 176044663 /nfs/dbraw/zinc/04/46/63/176044663.db2.gz HOVYUBWHLDWBNG-INIZCTEOSA-N 2 1 275.440 2.201 20 0 CEADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000071298626 176113216 /nfs/dbraw/zinc/11/32/16/176113216.db2.gz UGGHGZDPIWNHKE-QGZVFWFLSA-N 2 1 274.408 2.012 20 0 CEADMP [NH3+]C1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000662233979 415697434 /nfs/dbraw/zinc/69/74/34/415697434.db2.gz BDFJDJIMTGZFIJ-UHFFFAOYSA-N 2 1 261.394 2.262 20 0 CEADMP CC(C)[C@@H]([NH3+])c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656456169 415716263 /nfs/dbraw/zinc/71/62/63/415716263.db2.gz SFZQMERTORMZCB-DOTOQJQBSA-N 2 1 299.422 2.381 20 0 CEADMP C[N@@H+](CCC1CCCCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256958 415723847 /nfs/dbraw/zinc/72/38/47/415723847.db2.gz KQJZILDTDRHBQT-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP c1cc2c(s1)CCC[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662256550 415725093 /nfs/dbraw/zinc/72/50/93/415725093.db2.gz JMXMZLOHEAYJGL-ZDUSSCGKSA-N 2 1 278.421 2.017 20 0 CEADMP CN(Cc1cccc2c1CC[NH2+]C2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000662260724 415729182 /nfs/dbraw/zinc/72/91/82/415729182.db2.gz BGPBZNCWHRJDPZ-QGZVFWFLSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCN(C2CC2)C1 ZINC000662260724 415729187 /nfs/dbraw/zinc/72/91/87/415729187.db2.gz BGPBZNCWHRJDPZ-QGZVFWFLSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCN(C2CC2)C1 ZINC000662260724 415729192 /nfs/dbraw/zinc/72/91/92/415729192.db2.gz BGPBZNCWHRJDPZ-QGZVFWFLSA-N 2 1 285.435 2.001 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000662266821 415731067 /nfs/dbraw/zinc/73/10/67/415731067.db2.gz PIGQDHAAVRRBME-HZPDHXFCSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248380 415709369 /nfs/dbraw/zinc/70/93/69/415709369.db2.gz AGOJNCIQPGRHIB-AAEUAGOBSA-N 2 1 296.361 2.479 20 0 CEADMP CO[C@@H](C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)C1CCCC1 ZINC000662247785 415710309 /nfs/dbraw/zinc/71/03/09/415710309.db2.gz KXZMTNFOGANEEQ-CABCVRRESA-N 2 1 256.434 2.497 20 0 CEADMP c1ccc(C[C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248463 415710775 /nfs/dbraw/zinc/71/07/75/415710775.db2.gz CDSRCKVBLZOAQF-DLBZAZTESA-N 2 1 286.419 2.215 20 0 CEADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250190 415711000 /nfs/dbraw/zinc/71/10/00/415711000.db2.gz AGRHETNENDOAIE-DGCLKSJQSA-N 2 1 296.361 2.479 20 0 CEADMP C[C@H]1c2ccsc2CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249732 415711306 /nfs/dbraw/zinc/71/13/06/415711306.db2.gz YZXCWUGLSFFLFY-RYUDHWBXSA-N 2 1 278.421 2.188 20 0 CEADMP CC[C@@](C)([NH3+])c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455504 415714588 /nfs/dbraw/zinc/71/45/88/415714588.db2.gz JUCVNDBAFSLFRQ-DOTOQJQBSA-N 2 1 299.422 2.309 20 0 CEADMP CCc1nocc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662276773 415743667 /nfs/dbraw/zinc/74/36/67/415743667.db2.gz PSCXXFFYLRHNBC-IUODEOHRSA-N 2 1 263.385 2.201 20 0 CEADMP CCc1nocc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662276773 415743670 /nfs/dbraw/zinc/74/36/70/415743670.db2.gz PSCXXFFYLRHNBC-IUODEOHRSA-N 2 1 263.385 2.201 20 0 CEADMP C[C@@]12COC[C@]1(C)C[N@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000662303131 415765362 /nfs/dbraw/zinc/76/53/62/415765362.db2.gz SZYANIQUZSWDIV-HDICACEKSA-N 2 1 286.419 2.191 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCO[C@@H]2CC2(F)F)[C@@H]1CCC[NH3+] ZINC000662315924 415773384 /nfs/dbraw/zinc/77/33/84/415773384.db2.gz SWCAUMGGIFMFIY-JHJVBQTASA-N 2 1 276.371 2.250 20 0 CEADMP CCC(C)(C)NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315546 415774904 /nfs/dbraw/zinc/77/49/04/415774904.db2.gz SCYGZIAKNFNELM-ZIAGYGMSSA-N 2 1 283.460 2.131 20 0 CEADMP C[C@@H]1[C@@H](C(F)(F)F)OCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000662315944 415775355 /nfs/dbraw/zinc/77/53/55/415775355.db2.gz QVFWRIFGPDCQCF-UTUOFQBUSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1[C@@H](C(F)(F)F)OCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000662315944 415775360 /nfs/dbraw/zinc/77/53/60/415775360.db2.gz QVFWRIFGPDCQCF-UTUOFQBUSA-N 2 1 280.334 2.028 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1)[C@@H]1CC[NH2+]C1 ZINC000662317638 415777474 /nfs/dbraw/zinc/77/74/74/415777474.db2.gz YLCFVAPEOKGDQT-ARFHVFGLSA-N 2 1 266.429 2.267 20 0 CEADMP OCC1([NH2+]Cc2ccc3ccccc3c2)CC[NH2+]CC1 ZINC000662286022 415751184 /nfs/dbraw/zinc/75/11/84/415751184.db2.gz PJSMOOUWCLGQRY-UHFFFAOYSA-N 2 1 270.376 2.044 20 0 CEADMP CC(C)[N@H+]1CCCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000659873404 415754334 /nfs/dbraw/zinc/75/43/34/415754334.db2.gz OAWPUYXCFPCGCO-IRXDYDNUSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@@H](c1cnccn1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292213 415754923 /nfs/dbraw/zinc/75/49/23/415754923.db2.gz CCQRCIRLNSOMQE-ZFWWWQNUSA-N 2 1 274.412 2.249 20 0 CEADMP CCCCCNC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293830 415758612 /nfs/dbraw/zinc/75/86/12/415758612.db2.gz OJGJZHOVLCNOSY-MRXNPFEDSA-N 2 1 295.471 2.004 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(CC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000659989881 415831658 /nfs/dbraw/zinc/83/16/58/415831658.db2.gz VHMKAGVMLLAWBS-BBWFWOEESA-N 2 1 281.488 2.238 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000659989881 415831660 /nfs/dbraw/zinc/83/16/60/415831660.db2.gz VHMKAGVMLLAWBS-BBWFWOEESA-N 2 1 281.488 2.238 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000659989881 415831665 /nfs/dbraw/zinc/83/16/65/415831665.db2.gz VHMKAGVMLLAWBS-BBWFWOEESA-N 2 1 281.488 2.238 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](OC)C2CCC2)C1 ZINC000659989815 415833150 /nfs/dbraw/zinc/83/31/50/415833150.db2.gz UIXBLDUOAYLPCS-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@H+](CCOCC2CCCC2)CCO1 ZINC000662325902 415782698 /nfs/dbraw/zinc/78/26/98/415782698.db2.gz KXNWZFYCNIGFRF-KRWDZBQOSA-N 2 1 298.471 2.236 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCOCC2CCCC2)CCO1 ZINC000662325902 415782702 /nfs/dbraw/zinc/78/27/02/415782702.db2.gz KXNWZFYCNIGFRF-KRWDZBQOSA-N 2 1 298.471 2.236 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Cc2ccccc2)C1 ZINC000659950656 415803834 /nfs/dbraw/zinc/80/38/34/415803834.db2.gz QFWVJYXFOSYJHF-ROUUACIJSA-N 2 1 290.451 2.252 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000659950656 415803837 /nfs/dbraw/zinc/80/38/37/415803837.db2.gz QFWVJYXFOSYJHF-ROUUACIJSA-N 2 1 290.451 2.252 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000659950656 415803841 /nfs/dbraw/zinc/80/38/41/415803841.db2.gz QFWVJYXFOSYJHF-ROUUACIJSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC000659976056 415818725 /nfs/dbraw/zinc/81/87/25/415818725.db2.gz PVOSRKJXRWPFBE-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCO[C@H]2CC2(F)F)C1 ZINC000659973491 415818929 /nfs/dbraw/zinc/81/89/29/415818929.db2.gz FQPXNAVGONSERM-KGLIPLIRSA-N 2 1 288.382 2.074 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCO[C@H]2CC2(F)F)C1 ZINC000659973491 415818934 /nfs/dbraw/zinc/81/89/34/415818934.db2.gz FQPXNAVGONSERM-KGLIPLIRSA-N 2 1 288.382 2.074 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000659973491 415818939 /nfs/dbraw/zinc/81/89/39/415818939.db2.gz FQPXNAVGONSERM-KGLIPLIRSA-N 2 1 288.382 2.074 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000659973491 415818944 /nfs/dbraw/zinc/81/89/44/415818944.db2.gz FQPXNAVGONSERM-KGLIPLIRSA-N 2 1 288.382 2.074 20 0 CEADMP Cc1cc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)nc(C)n1 ZINC000659978059 415823462 /nfs/dbraw/zinc/82/34/62/415823462.db2.gz KVDDQTPMILZDOY-INIZCTEOSA-N 2 1 288.439 2.257 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@H](OC)C2CCC2)CC1 ZINC000659982992 415824583 /nfs/dbraw/zinc/82/45/83/415824583.db2.gz BDVRLGVIXBGZKA-HNNXBMFYSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H](OC)C2CCC2)CC1 ZINC000659982992 415824585 /nfs/dbraw/zinc/82/45/85/415824585.db2.gz BDVRLGVIXBGZKA-HNNXBMFYSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC[C@@H](O)C2)C[C@H]1C ZINC000659983636 415825505 /nfs/dbraw/zinc/82/55/05/415825505.db2.gz RMNMOAWPNRFVCX-LVQVYYBASA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC[C@@H](O)C2)C[C@H]1C ZINC000659983636 415825511 /nfs/dbraw/zinc/82/55/11/415825511.db2.gz RMNMOAWPNRFVCX-LVQVYYBASA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC[C@@H](O)C2)C[C@H]1C ZINC000659983636 415825519 /nfs/dbraw/zinc/82/55/19/415825519.db2.gz RMNMOAWPNRFVCX-LVQVYYBASA-N 2 1 268.445 2.342 20 0 CEADMP [NH3+]CC(F)(F)CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000566411756 298977812 /nfs/dbraw/zinc/97/78/12/298977812.db2.gz WVCIWMZPOYEUNN-UHFFFAOYSA-N 2 1 297.349 2.205 20 0 CEADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000666953808 419490278 /nfs/dbraw/zinc/49/02/78/419490278.db2.gz HZMSKDVSYDTCLH-GOSISDBHSA-N 3 1 299.462 2.383 20 0 CEADMP c1cc(C[NH2+][C@H]2CCC[NH2+]CC2)n(-c2ccccc2)n1 ZINC000666857856 419451170 /nfs/dbraw/zinc/45/11/70/419451170.db2.gz MNHZNSHPBCQTMM-AWEZNQCLSA-N 2 1 270.380 2.104 20 0 CEADMP c1nc2ccccn2c1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998375 419506791 /nfs/dbraw/zinc/50/67/91/419506791.db2.gz PVNUFGBVWFNHGG-ZDUSSCGKSA-N 2 1 270.380 2.099 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1O ZINC000666998460 419508092 /nfs/dbraw/zinc/50/80/92/419508092.db2.gz VAEFGPZUPDCGGW-ZDUSSCGKSA-N 2 1 276.380 2.165 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667730794 419786607 /nfs/dbraw/zinc/78/66/07/419786607.db2.gz AGJGLSQUMPXIPN-ZDUSSCGKSA-N 2 1 290.411 2.141 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CCCc3c2cnn3C)CC[NH2+]1 ZINC000666649579 419763122 /nfs/dbraw/zinc/76/31/22/419763122.db2.gz DNWMDHWEWKSPNF-NFAWXSAZSA-N 2 1 276.428 2.117 20 0 CEADMP Cc1ccc2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)[nH]c2c1 ZINC000667712769 419779425 /nfs/dbraw/zinc/77/94/25/419779425.db2.gz PBADSLDSUZTSKF-OKILXGFUSA-N 2 1 255.365 2.128 20 0 CEADMP Cc1ccc2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)[nH]c2c1 ZINC000667712769 419779431 /nfs/dbraw/zinc/77/94/31/419779431.db2.gz PBADSLDSUZTSKF-OKILXGFUSA-N 2 1 255.365 2.128 20 0 CEADMP CCC1(CC)CN(C[N@H+](C)CC2CC[NH+](C)CC2)C(=O)O1 ZINC000180242071 260096309 /nfs/dbraw/zinc/09/63/09/260096309.db2.gz CJXAETJNJBZQNT-UHFFFAOYSA-N 2 1 297.443 2.229 20 0 CEADMP CCC1(CC)CN(C[N@@H+](C)CC2CC[NH+](C)CC2)C(=O)O1 ZINC000180242071 260096310 /nfs/dbraw/zinc/09/63/10/260096310.db2.gz CJXAETJNJBZQNT-UHFFFAOYSA-N 2 1 297.443 2.229 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CSC[C@H]2C)C1 ZINC000449131807 260237259 /nfs/dbraw/zinc/23/72/59/260237259.db2.gz PSFJITCCGYYJHN-RDBSUJKOSA-N 2 1 256.459 2.448 20 0 CEADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000521065143 260346559 /nfs/dbraw/zinc/34/65/59/260346559.db2.gz MEJSXWBAVQNYDG-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428036136 261198404 /nfs/dbraw/zinc/19/84/04/261198404.db2.gz WOAWARDYFKWIKM-RHSMWYFYSA-N 2 1 290.407 2.148 20 0 CEADMP C[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000390557702 262217484 /nfs/dbraw/zinc/21/74/84/262217484.db2.gz JCTVEDZQZSANGT-DJIMGWMZSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000390557702 262217485 /nfs/dbraw/zinc/21/74/85/262217485.db2.gz JCTVEDZQZSANGT-DJIMGWMZSA-N 2 1 275.440 2.224 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1F)C1CC1 ZINC000414791572 263048807 /nfs/dbraw/zinc/04/88/07/263048807.db2.gz BNPNHIJUDRUXBZ-DDGIKZQJSA-N 2 1 252.308 2.305 20 0 CEADMP CC/C=C/CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000184558191 263118259 /nfs/dbraw/zinc/11/82/59/263118259.db2.gz QYJGEJQNBJSUSX-SNAWJCMRSA-N 2 1 254.418 2.121 20 0 CEADMP CC/C=C/CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000184558191 263118260 /nfs/dbraw/zinc/11/82/60/263118260.db2.gz QYJGEJQNBJSUSX-SNAWJCMRSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)C[C@@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000396910278 270350914 /nfs/dbraw/zinc/35/09/14/270350914.db2.gz JBWOULCMWRLHJE-NSHDSACASA-N 2 1 266.389 2.274 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)C[NH+](C)C ZINC000425935933 263919471 /nfs/dbraw/zinc/91/94/71/263919471.db2.gz GMFZQZCZPXRFBY-ZDUSSCGKSA-N 3 1 255.450 2.037 20 0 CEADMP CN(C)c1ncc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)n1C ZINC000425372804 264202765 /nfs/dbraw/zinc/20/27/65/264202765.db2.gz UDVSHCIGVDNAHF-HUUCEWRRSA-N 2 1 274.412 2.107 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2(C)CC2)C1 ZINC000519272708 265380819 /nfs/dbraw/zinc/38/08/19/265380819.db2.gz PCRQTAJCVDXHKA-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000226323165 270309839 /nfs/dbraw/zinc/30/98/39/270309839.db2.gz NGEHFRVNRIVFCN-AWEZNQCLSA-N 2 1 299.459 2.220 20 0 CEADMP CC1(C)CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000227801090 270312205 /nfs/dbraw/zinc/31/22/05/270312205.db2.gz XDKMUWNDGURELQ-IRXDYDNUSA-N 2 1 290.451 2.429 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000235461963 270315138 /nfs/dbraw/zinc/31/51/38/270315138.db2.gz CRSNIWGFUBLIHR-RKDXNWHRSA-N 2 1 257.175 2.447 20 0 CEADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000316703836 270334910 /nfs/dbraw/zinc/33/49/10/270334910.db2.gz FOZGOZWTAJSIDD-SFHVURJKSA-N 2 1 288.435 2.402 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322855446 270335455 /nfs/dbraw/zinc/33/54/55/270335455.db2.gz ROQFHXCKHSJISA-UYTSQGDYSA-N 2 1 276.428 2.123 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000397261622 270352585 /nfs/dbraw/zinc/35/25/85/270352585.db2.gz IPUOOQIFFFHSMW-ZENOOKHLSA-N 2 1 290.407 2.278 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000398952907 270365104 /nfs/dbraw/zinc/36/51/04/270365104.db2.gz FLPLFDRDOHCJGN-INIZCTEOSA-N 2 1 295.471 2.084 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H](C)C[C@@H](C)[NH3+])CC2)[nH+]1 ZINC000422764357 270758071 /nfs/dbraw/zinc/75/80/71/270758071.db2.gz PYDOVYMJBOSUMW-TZMCWYRMSA-N 3 1 276.428 2.074 20 0 CEADMP CSc1ccc(F)cc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422805253 270776396 /nfs/dbraw/zinc/77/63/96/270776396.db2.gz IZQBXWPWAUYEAV-VIFPVBQESA-N 2 1 254.374 2.245 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000422843589 270789349 /nfs/dbraw/zinc/78/93/49/270789349.db2.gz IVHKJDCSBSOOED-LSDHHAIUSA-N 2 1 297.512 2.065 20 0 CEADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)CCC2 ZINC000423277075 270886728 /nfs/dbraw/zinc/88/67/28/270886728.db2.gz PCHJSTBHVRUUER-MNOVXSKESA-N 2 1 253.415 2.402 20 0 CEADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C(=O)OC)cc1 ZINC000423283838 270889258 /nfs/dbraw/zinc/88/92/58/270889258.db2.gz WJMXTGMPTSUAMY-CABCVRRESA-N 2 1 276.380 2.251 20 0 CEADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423385788 270907464 /nfs/dbraw/zinc/90/74/64/270907464.db2.gz KURHYUMZQOTALX-OIISXLGYSA-N 2 1 275.440 2.410 20 0 CEADMP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423519560 270921439 /nfs/dbraw/zinc/92/14/39/270921439.db2.gz PZQCWHZAXLBCJG-KBMXLJTQSA-N 3 1 261.413 2.197 20 0 CEADMP CC(C)n1cncc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000424177025 271027760 /nfs/dbraw/zinc/02/77/60/271027760.db2.gz SZGCVSCVHJYTPU-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP CC(C)c1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000426288370 271209007 /nfs/dbraw/zinc/20/90/07/271209007.db2.gz ITLYBNDDPKSPNZ-VXGBXAGGSA-N 2 1 282.457 2.134 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428734106 271292440 /nfs/dbraw/zinc/29/24/40/271292440.db2.gz RYEYHHOMOUCALM-FRRDWIJNSA-N 2 1 258.356 2.448 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428734106 271292443 /nfs/dbraw/zinc/29/24/43/271292443.db2.gz RYEYHHOMOUCALM-FRRDWIJNSA-N 2 1 258.356 2.448 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428734106 271292447 /nfs/dbraw/zinc/29/24/47/271292447.db2.gz RYEYHHOMOUCALM-FRRDWIJNSA-N 2 1 258.356 2.448 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428734106 271292448 /nfs/dbraw/zinc/29/24/48/271292448.db2.gz RYEYHHOMOUCALM-FRRDWIJNSA-N 2 1 258.356 2.448 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000442933070 271844855 /nfs/dbraw/zinc/84/48/55/271844855.db2.gz ZNNRKMGUPHMIMZ-LBPRGKRZSA-N 2 1 258.369 2.124 20 0 CEADMP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057807 271849160 /nfs/dbraw/zinc/84/91/60/271849160.db2.gz HZGSADFKFNFJBT-STQMWFEESA-N 2 1 293.386 2.214 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CCO)c1ccccc1 ZINC000305132661 274340000 /nfs/dbraw/zinc/34/00/00/274340000.db2.gz NLMHLFRQVPNSLX-LMSBXDPUSA-N 2 1 290.451 2.471 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1COc2ccccc2O1 ZINC000252393285 274340179 /nfs/dbraw/zinc/34/01/79/274340179.db2.gz YTBYOGCBCGOUAT-KBXIAJHMSA-N 2 1 290.407 2.145 20 0 CEADMP OCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000363701343 275046014 /nfs/dbraw/zinc/04/60/14/275046014.db2.gz SRZKRIYCAZSDCH-SFHVURJKSA-N 2 1 288.435 2.357 20 0 CEADMP OCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000363701343 275046016 /nfs/dbraw/zinc/04/60/16/275046016.db2.gz SRZKRIYCAZSDCH-SFHVURJKSA-N 2 1 288.435 2.357 20 0 CEADMP OCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000363701343 275046018 /nfs/dbraw/zinc/04/60/18/275046018.db2.gz SRZKRIYCAZSDCH-SFHVURJKSA-N 2 1 288.435 2.357 20 0 CEADMP Brc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)C2 ZINC000335498470 275370938 /nfs/dbraw/zinc/37/09/38/275370938.db2.gz NLAZOGMASMSEEN-UONOGXRCSA-N 2 1 295.224 2.258 20 0 CEADMP C([C@H]1CC[N@H+](C[C@H]2CCCOC2)C1)[NH+]1CCCCC1 ZINC000336799846 275397777 /nfs/dbraw/zinc/39/77/77/275397777.db2.gz KFGAACROOAJZDT-HZPDHXFCSA-N 2 1 266.429 2.221 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1CCCOCC1)[NH+]1CCCC1 ZINC000086870163 275700491 /nfs/dbraw/zinc/70/04/91/275700491.db2.gz LAHJMPUPXAJMOR-CABCVRRESA-N 2 1 254.418 2.266 20 0 CEADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)O1 ZINC000363702062 275868112 /nfs/dbraw/zinc/86/81/12/275868112.db2.gz XFRXTTCMDPFRFK-STQMWFEESA-N 2 1 277.412 2.381 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000347733459 275966596 /nfs/dbraw/zinc/96/65/96/275966596.db2.gz CZPULJWGBIVNRS-UHFFFAOYSA-N 2 1 252.402 2.208 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)C[NH2+]C)c2C1 ZINC000236789183 276014627 /nfs/dbraw/zinc/01/46/27/276014627.db2.gz LESVXXCPKXJBTG-GFCCVEGCSA-N 2 1 275.396 2.206 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)C[NH2+]C)c2C1 ZINC000236789183 276014628 /nfs/dbraw/zinc/01/46/28/276014628.db2.gz LESVXXCPKXJBTG-GFCCVEGCSA-N 2 1 275.396 2.206 20 0 CEADMP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154310576 276023001 /nfs/dbraw/zinc/02/30/01/276023001.db2.gz UITUCHHUVVQXLK-IRXDYDNUSA-N 2 1 278.440 2.300 20 0 CEADMP CC[N@@H+](CCN[C@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000261571526 276132172 /nfs/dbraw/zinc/13/21/72/276132172.db2.gz RLNTYQOVMJRUTB-HOTGVXAUSA-N 2 1 259.397 2.205 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCCCC[NH+]1CCCC1 ZINC000357129514 276158843 /nfs/dbraw/zinc/15/88/43/276158843.db2.gz WSFCRZIFAOBEOR-INIZCTEOSA-N 2 1 295.471 2.243 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000353913498 276331180 /nfs/dbraw/zinc/33/11/80/276331180.db2.gz JCRZFHVCUDCMIG-IJEWVQPXSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@@H+](CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1CC1 ZINC000261630276 276348987 /nfs/dbraw/zinc/34/89/87/276348987.db2.gz ATERHPCJEFUPDP-GVDBMIGSSA-N 2 1 279.472 2.371 20 0 CEADMP CCN(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1CC1 ZINC000261630276 276348988 /nfs/dbraw/zinc/34/89/88/276348988.db2.gz ATERHPCJEFUPDP-GVDBMIGSSA-N 2 1 279.472 2.371 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227535054 276373681 /nfs/dbraw/zinc/37/36/81/276373681.db2.gz NGOPHNSWOZEWNR-DAXOMENPSA-N 2 1 259.397 2.205 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000336344435 276818442 /nfs/dbraw/zinc/81/84/42/276818442.db2.gz VHPQWOQRAMWPBC-HNNXBMFYSA-N 2 1 252.402 2.116 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000358749327 276833021 /nfs/dbraw/zinc/83/30/21/276833021.db2.gz KMMRKXAKDVYXQT-UMVBOHGHSA-N 2 1 276.428 2.260 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3occc32)CC1 ZINC000190937590 277051492 /nfs/dbraw/zinc/05/14/92/277051492.db2.gz KGUCPTMWOJROMC-MRXNPFEDSA-N 2 1 291.439 2.274 20 0 CEADMP COC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000369324778 277057297 /nfs/dbraw/zinc/05/72/97/277057297.db2.gz GKSUNCGDSADUSZ-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000369324778 277057300 /nfs/dbraw/zinc/05/73/00/277057300.db2.gz GKSUNCGDSADUSZ-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000369324778 277057301 /nfs/dbraw/zinc/05/73/01/277057301.db2.gz GKSUNCGDSADUSZ-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000369324778 277057302 /nfs/dbraw/zinc/05/73/02/277057302.db2.gz GKSUNCGDSADUSZ-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000336803180 277060747 /nfs/dbraw/zinc/06/07/47/277060747.db2.gz XISHHPMNLUJSIJ-HRCADAONSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000336803180 277060748 /nfs/dbraw/zinc/06/07/48/277060748.db2.gz XISHHPMNLUJSIJ-HRCADAONSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000336803180 277060749 /nfs/dbraw/zinc/06/07/49/277060749.db2.gz XISHHPMNLUJSIJ-HRCADAONSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000245628940 277060769 /nfs/dbraw/zinc/06/07/69/277060769.db2.gz PQQPQUCMEAJHGQ-MSOLQXFVSA-N 2 1 287.451 2.459 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000245628940 277060770 /nfs/dbraw/zinc/06/07/70/277060770.db2.gz PQQPQUCMEAJHGQ-MSOLQXFVSA-N 2 1 287.451 2.459 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000245628940 277060772 /nfs/dbraw/zinc/06/07/72/277060772.db2.gz PQQPQUCMEAJHGQ-MSOLQXFVSA-N 2 1 287.451 2.459 20 0 CEADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)c3ccc(F)cc3)C2)C1 ZINC000293064911 277071897 /nfs/dbraw/zinc/07/18/97/277071897.db2.gz UYEXYPKDDRFKIC-IAGOWNOFSA-N 2 1 292.398 2.277 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)c3ccc(F)cc3)C2)C1 ZINC000293064911 277071898 /nfs/dbraw/zinc/07/18/98/277071898.db2.gz UYEXYPKDDRFKIC-IAGOWNOFSA-N 2 1 292.398 2.277 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)c3ccc(F)cc3)C2)C1 ZINC000293064911 277071899 /nfs/dbraw/zinc/07/18/99/277071899.db2.gz UYEXYPKDDRFKIC-IAGOWNOFSA-N 2 1 292.398 2.277 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)c3ccc(F)cc3)C2)C1 ZINC000293064911 277071901 /nfs/dbraw/zinc/07/19/01/277071901.db2.gz UYEXYPKDDRFKIC-IAGOWNOFSA-N 2 1 292.398 2.277 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000338322866 277079296 /nfs/dbraw/zinc/07/92/96/277079296.db2.gz KULDFMBRMWIPSP-HOTGVXAUSA-N 2 1 274.408 2.454 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)[C@@H]2CCC[C@H]21 ZINC000367618016 277172108 /nfs/dbraw/zinc/17/21/08/277172108.db2.gz OGRCUAVSDKDPEB-NXOAAHMSSA-N 2 1 292.398 2.322 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000375897054 277172176 /nfs/dbraw/zinc/17/21/76/277172176.db2.gz CUHXRRFMSBUMLR-QZWWFDLISA-N 2 1 274.408 2.182 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000093942304 277211796 /nfs/dbraw/zinc/21/17/96/277211796.db2.gz FWTRBMKVWCHVCB-HNNXBMFYSA-N 2 1 293.455 2.372 20 0 CEADMP CO[C@@]1(C)CCC[N@@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000361410108 277319038 /nfs/dbraw/zinc/31/90/38/277319038.db2.gz KBMLTNIAYLBROR-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@@]1(C)CCC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000361410108 277319040 /nfs/dbraw/zinc/31/90/40/277319040.db2.gz KBMLTNIAYLBROR-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@@]1(C)CCC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000361410108 277319043 /nfs/dbraw/zinc/31/90/43/277319043.db2.gz KBMLTNIAYLBROR-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000371577470 277354655 /nfs/dbraw/zinc/35/46/55/277354655.db2.gz XTFHMMMXHCPRKV-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CS1 ZINC000414493537 277985721 /nfs/dbraw/zinc/98/57/21/277985721.db2.gz CDLXQXIXINKSLW-ZYHUDNBSSA-N 2 1 251.399 2.131 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000248825035 278003192 /nfs/dbraw/zinc/00/31/92/278003192.db2.gz COVXWXBUQVNLDR-QKPAOTATSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)CC[NH2+]1 ZINC000333225469 278012007 /nfs/dbraw/zinc/01/20/07/278012007.db2.gz XHMUNSKPEJMLDS-RKQHYHRCSA-N 2 1 265.401 2.010 20 0 CEADMP C[C@@H]1[N@@H+](CCC[NH+]2CCCC2)CCC12CCOCC2 ZINC000368813439 278044634 /nfs/dbraw/zinc/04/46/34/278044634.db2.gz GNTSQQYTOUHVNG-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000376547878 278159167 /nfs/dbraw/zinc/15/91/67/278159167.db2.gz MEJDAWJJCPEBIH-KBUPBQIOSA-N 2 1 286.485 2.217 20 0 CEADMP CC1(C)CC(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC(C)(C)[NH2+]1 ZINC000334637708 278190675 /nfs/dbraw/zinc/19/06/75/278190675.db2.gz GQHPGOAHDMZQAQ-AWEZNQCLSA-N 2 1 293.455 2.039 20 0 CEADMP C[C@@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000280982699 278290265 /nfs/dbraw/zinc/29/02/65/278290265.db2.gz LIGPVXQADFRXNS-OOHWJJMZSA-N 2 1 276.424 2.400 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C(C)(C)O1 ZINC000094423818 278369519 /nfs/dbraw/zinc/36/95/19/278369519.db2.gz LMDAECWUHCVDBW-TZMCWYRMSA-N 2 1 266.429 2.406 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCOC1 ZINC000305251283 288070461 /nfs/dbraw/zinc/07/04/61/288070461.db2.gz WYOFVMZCMLWWFW-YJNKXOJESA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000414697673 279180098 /nfs/dbraw/zinc/18/00/98/279180098.db2.gz CQQFDLAOKCIKIE-HLLBOEOZSA-N 2 1 279.472 2.309 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346667957 279252312 /nfs/dbraw/zinc/25/23/12/279252312.db2.gz FMGDXFQTRIMEAZ-VNHYZAJKSA-N 2 1 254.418 2.108 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000340514087 279355331 /nfs/dbraw/zinc/35/53/31/279355331.db2.gz GRIXNNLMDYGNOJ-ZNMIVQPWSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000138013379 280070036 /nfs/dbraw/zinc/07/00/36/280070036.db2.gz BICRAYQZBBSLRX-MRXNPFEDSA-N 2 1 298.434 2.310 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000138013379 280070038 /nfs/dbraw/zinc/07/00/38/280070038.db2.gz BICRAYQZBBSLRX-MRXNPFEDSA-N 2 1 298.434 2.310 20 0 CEADMP CC[C@@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH+](CC)CC ZINC000345501217 280076203 /nfs/dbraw/zinc/07/62/03/280076203.db2.gz FLDMGBDGHAZBEJ-XHSDSOJGSA-N 2 1 297.487 2.486 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)CCC1CCOCC1 ZINC000191807449 280176039 /nfs/dbraw/zinc/17/60/39/280176039.db2.gz LYCMOSATSJJPQE-UHFFFAOYSA-N 2 1 256.434 2.467 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000245436223 280239697 /nfs/dbraw/zinc/23/96/97/280239697.db2.gz QWWRRAMTXYTCLJ-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000245581163 280251685 /nfs/dbraw/zinc/25/16/85/280251685.db2.gz IWHKFKAWWIIMFK-UONOGXRCSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000245581163 280251689 /nfs/dbraw/zinc/25/16/89/280251689.db2.gz IWHKFKAWWIIMFK-UONOGXRCSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000245581163 280251691 /nfs/dbraw/zinc/25/16/91/280251691.db2.gz IWHKFKAWWIIMFK-UONOGXRCSA-N 2 1 282.428 2.134 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000246465474 280295450 /nfs/dbraw/zinc/29/54/50/280295450.db2.gz GLBLNWGZPKWMCL-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000246465474 280295452 /nfs/dbraw/zinc/29/54/52/280295452.db2.gz GLBLNWGZPKWMCL-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000246465474 280295456 /nfs/dbraw/zinc/29/54/56/280295456.db2.gz GLBLNWGZPKWMCL-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000247103487 280320665 /nfs/dbraw/zinc/32/06/65/280320665.db2.gz QBPZLMOLYIFWLN-YOEHRIQHSA-N 2 1 279.472 2.181 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000247125482 280321027 /nfs/dbraw/zinc/32/10/27/280321027.db2.gz VAMZLGNWBVMOFZ-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000247125482 280321028 /nfs/dbraw/zinc/32/10/28/280321028.db2.gz VAMZLGNWBVMOFZ-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247125482 280321029 /nfs/dbraw/zinc/32/10/29/280321029.db2.gz VAMZLGNWBVMOFZ-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP C[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247199271 280322337 /nfs/dbraw/zinc/32/23/37/280322337.db2.gz WYJNNHZBKFGCGG-YIDVYQOGSA-N 2 1 295.471 2.237 20 0 CEADMP CC[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000348300687 280325742 /nfs/dbraw/zinc/32/57/42/280325742.db2.gz KEFJXSIRMGLGTR-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1CC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000348300687 280325744 /nfs/dbraw/zinc/32/57/44/280325744.db2.gz KEFJXSIRMGLGTR-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCOCC2CC2)[C@@H](C)C1 ZINC000247893149 280340843 /nfs/dbraw/zinc/34/08/43/280340843.db2.gz FZVNIQDKJJZJHP-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCn2nc(C)cc2C)[C@@H](C)C1 ZINC000247890679 280340923 /nfs/dbraw/zinc/34/09/23/280340923.db2.gz FIMRFRBEYJGPFY-XJKSGUPXSA-N 2 1 278.444 2.210 20 0 CEADMP CC[N@H+]1CC[C@H](NCCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000248056046 280342035 /nfs/dbraw/zinc/34/20/35/280342035.db2.gz XLKYGTVTIBYLSR-HOTGVXAUSA-N 2 1 267.461 2.182 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000248056046 280342036 /nfs/dbraw/zinc/34/20/36/280342036.db2.gz XLKYGTVTIBYLSR-HOTGVXAUSA-N 3 1 267.461 2.182 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000248056046 280342037 /nfs/dbraw/zinc/34/20/37/280342037.db2.gz XLKYGTVTIBYLSR-HOTGVXAUSA-N 3 1 267.461 2.182 20 0 CEADMP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248885182 280371499 /nfs/dbraw/zinc/37/14/99/280371499.db2.gz XTFLLIRRLPJLMF-KSZLIROESA-N 2 1 288.435 2.115 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)CC(F)(F)F ZINC000249288284 280391503 /nfs/dbraw/zinc/39/15/03/280391503.db2.gz LZJPMDUZPZLWEV-NEPJUHHUSA-N 2 1 282.350 2.106 20 0 CEADMP Cc1csc(CCCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)n1 ZINC000422909588 280959939 /nfs/dbraw/zinc/95/99/39/280959939.db2.gz OJBLESJCGWXTHP-YPMHNXCESA-N 2 1 267.442 2.362 20 0 CEADMP C[C@H]([NH2+]CCc1ccc(F)c(F)c1F)[C@H]1CCC[NH2+]1 ZINC000423032974 281003103 /nfs/dbraw/zinc/00/31/03/281003103.db2.gz NWDRUAALETZZSL-JOYOIKCWSA-N 2 1 272.314 2.377 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCCS1)c1c[nH+]ccc1N ZINC000423038507 281005334 /nfs/dbraw/zinc/00/53/34/281005334.db2.gz YVJPPKVWPIJHCD-WDEREUQCSA-N 2 1 251.399 2.430 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000423057704 281013185 /nfs/dbraw/zinc/01/31/85/281013185.db2.gz ZSCGKSUQEFBOFX-GJZGRUSLSA-N 3 1 255.450 2.358 20 0 CEADMP COCCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423331346 281024352 /nfs/dbraw/zinc/02/43/52/281024352.db2.gz QAFCFEJIFYWVBH-CYBMUJFWSA-N 2 1 278.396 2.244 20 0 CEADMP COCCC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1 ZINC000423435625 281041161 /nfs/dbraw/zinc/04/11/61/281041161.db2.gz OYUDYSLDYMGUME-QXSJWSMHSA-N 2 1 278.371 2.101 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423435612 281041228 /nfs/dbraw/zinc/04/12/28/281041228.db2.gz LFZPLBSGVDOLDW-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423462974 281047188 /nfs/dbraw/zinc/04/71/88/281047188.db2.gz KZCNEDMSOFDOQE-WMHQRMGPSA-N 2 1 261.413 2.147 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCCOC)cc1 ZINC000423465749 281048919 /nfs/dbraw/zinc/04/89/19/281048919.db2.gz NBIQHGYKRKHIHY-OCCSQVGLSA-N 2 1 266.385 2.100 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c(C)s1 ZINC000423512779 281057789 /nfs/dbraw/zinc/05/77/89/281057789.db2.gz KZQPJACFMUYHPL-YPMHNXCESA-N 2 1 268.426 2.394 20 0 CEADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000423529268 281062941 /nfs/dbraw/zinc/06/29/41/281062941.db2.gz XPWAOSAVXLVSAA-ZWKOTPCHSA-N 2 1 287.451 2.411 20 0 CEADMP COCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423529128 281062974 /nfs/dbraw/zinc/06/29/74/281062974.db2.gz NYSSTIANNKDJJU-CWRNSKLLSA-N 2 1 262.397 2.147 20 0 CEADMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[C@@H](C)[NH3+] ZINC000423772256 281090405 /nfs/dbraw/zinc/09/04/05/281090405.db2.gz HOCYCPPYWITPPF-LVQVYYBASA-N 2 1 295.471 2.080 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000424163007 281126554 /nfs/dbraw/zinc/12/65/54/281126554.db2.gz DCPOKXNRHALIHH-UHFFFAOYSA-N 2 1 296.317 2.360 20 0 CEADMP COCCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424380918 281155091 /nfs/dbraw/zinc/15/50/91/281155091.db2.gz QGNDQLFBHUYUJD-HZPDHXFCSA-N 2 1 278.396 2.071 20 0 CEADMP CCCn1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cn1 ZINC000424384670 281155461 /nfs/dbraw/zinc/15/54/61/281155461.db2.gz VKJQLECIHMLOGU-CQSZACIVSA-N 2 1 276.428 2.257 20 0 CEADMP COC1(C[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CCC1 ZINC000429534512 281240612 /nfs/dbraw/zinc/24/06/12/281240612.db2.gz FGNLHMRJOUUOBF-CVEARBPZSA-N 2 1 298.471 2.161 20 0 CEADMP O=C(CC[N@@H+]1CCC[NH2+]CC1)Nc1cccc2ccccc21 ZINC000430610692 281269281 /nfs/dbraw/zinc/26/92/81/281269281.db2.gz LJLWBUPWFIWFHF-UHFFFAOYSA-N 2 1 297.402 2.464 20 0 CEADMP O=C(CC[N@H+]1CCC[NH2+]CC1)Nc1cccc2ccccc21 ZINC000430610692 281269283 /nfs/dbraw/zinc/26/92/83/281269283.db2.gz LJLWBUPWFIWFHF-UHFFFAOYSA-N 2 1 297.402 2.464 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOC2CCCCCC2)C1 ZINC000430628220 281271403 /nfs/dbraw/zinc/27/14/03/281271403.db2.gz UWYVPPLNJPUUQL-AWEZNQCLSA-N 2 1 254.418 2.397 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000430939374 281283877 /nfs/dbraw/zinc/28/38/77/281283877.db2.gz LBUYGFILHRPKJD-LLVKDONJSA-N 2 1 288.313 2.365 20 0 CEADMP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C2 ZINC000290231350 281300319 /nfs/dbraw/zinc/30/03/19/281300319.db2.gz RSVKNFRFYNZYTE-VNQPRFMTSA-N 2 1 274.408 2.371 20 0 CEADMP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C2 ZINC000290231350 281300321 /nfs/dbraw/zinc/30/03/21/281300321.db2.gz RSVKNFRFYNZYTE-VNQPRFMTSA-N 2 1 274.408 2.371 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431739653 281316126 /nfs/dbraw/zinc/31/61/26/281316126.db2.gz DLAXQBAVVXDPRY-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431739653 281316129 /nfs/dbraw/zinc/31/61/29/281316129.db2.gz DLAXQBAVVXDPRY-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431739653 281316130 /nfs/dbraw/zinc/31/61/30/281316130.db2.gz DLAXQBAVVXDPRY-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000435375529 281385756 /nfs/dbraw/zinc/38/57/56/281385756.db2.gz MZAQRABNZRLQEE-LBPRGKRZSA-N 2 1 274.364 2.483 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000435375529 281385759 /nfs/dbraw/zinc/38/57/59/281385759.db2.gz MZAQRABNZRLQEE-LBPRGKRZSA-N 2 1 274.364 2.483 20 0 CEADMP c1ccc(C[N@H+](CC2CC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435389333 281387818 /nfs/dbraw/zinc/38/78/18/281387818.db2.gz KDFPRIPUQWOZDT-INIZCTEOSA-N 2 1 259.397 2.436 20 0 CEADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353986755 288356150 /nfs/dbraw/zinc/35/61/50/288356150.db2.gz LAFKOEUIDPEDRG-LJIZCISZSA-N 2 1 266.429 2.121 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000347518534 282024886 /nfs/dbraw/zinc/02/48/86/282024886.db2.gz IIFGKKFJKNTOFQ-SOUVJXGZSA-N 2 1 297.487 2.390 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@H]2CCCCC[C@H]2N)CC1 ZINC000335030937 282049285 /nfs/dbraw/zinc/04/92/85/282049285.db2.gz VCDOBURPEISVAN-CVSAEHQPSA-N 2 1 253.434 2.109 20 0 CEADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cn1 ZINC000401736054 289288497 /nfs/dbraw/zinc/28/84/97/289288497.db2.gz YOGHQZVPUUUNRU-CYBMUJFWSA-N 2 1 262.332 2.238 20 0 CEADMP CCC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(OC)cc1 ZINC000423425484 289295373 /nfs/dbraw/zinc/29/53/73/289295373.db2.gz GVFBQPGYWIVIJM-QXSJWSMHSA-N 2 1 260.381 2.344 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2cc(Cl)cn2)[C@@H](C)C1 ZINC000459373907 290130036 /nfs/dbraw/zinc/13/00/36/290130036.db2.gz IQOSLBBKCRPSQD-GXTWGEPZSA-N 2 1 284.835 2.199 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2cc(Cl)cn2)[C@@H](C)C1 ZINC000459373907 290130038 /nfs/dbraw/zinc/13/00/38/290130038.db2.gz IQOSLBBKCRPSQD-GXTWGEPZSA-N 2 1 284.835 2.199 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2cc(Cl)cn2)[C@@H](C)C1 ZINC000459373907 290130040 /nfs/dbraw/zinc/13/00/40/290130040.db2.gz IQOSLBBKCRPSQD-GXTWGEPZSA-N 2 1 284.835 2.199 20 0 CEADMP Cn1c[nH+]cc1CCN(CC(F)F)CC1CCC1 ZINC000459379791 290131858 /nfs/dbraw/zinc/13/18/58/290131858.db2.gz ARMSCYIPVQFSAP-UHFFFAOYSA-N 2 1 257.328 2.330 20 0 CEADMP COCc1cc(C[NH2+]CCCC[NH+]2CCC(C)CC2)no1 ZINC000459381952 290132118 /nfs/dbraw/zinc/13/21/18/290132118.db2.gz WAPXSLICPHZXDD-UHFFFAOYSA-N 2 1 295.427 2.423 20 0 CEADMP CC1CCC([NH+]2CCN(CCc3c[nH+]cn3C)CC2)CC1 ZINC000459381268 290132415 /nfs/dbraw/zinc/13/24/15/290132415.db2.gz UQBBYKGZDBGXHM-UHFFFAOYSA-N 2 1 290.455 2.159 20 0 CEADMP CO[C@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)C(F)(F)F ZINC000459489449 290162612 /nfs/dbraw/zinc/16/26/12/290162612.db2.gz ARESNZLMGYHXQP-GFCCVEGCSA-N 2 1 280.334 2.170 20 0 CEADMP C(CC[NH2+]C1CC[NH+](C2CC2)CC1)CC[NH+]1CCCC1 ZINC000459591430 290189362 /nfs/dbraw/zinc/18/93/62/290189362.db2.gz OJEJZBIQENLSOV-UHFFFAOYSA-N 3 1 279.472 2.469 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C2CCSCC2)[C@H]2CCC[C@H]21 ZINC000367625164 290214539 /nfs/dbraw/zinc/21/45/39/290214539.db2.gz XBYVZRVPTNNPSA-HZSPNIEDSA-N 2 1 254.443 2.344 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)C2 ZINC000459715987 290215702 /nfs/dbraw/zinc/21/57/02/290215702.db2.gz ZASWMANRPKJEAU-OAHLLOKOSA-N 2 1 297.402 2.413 20 0 CEADMP COc1cc(C)nc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459725165 290218331 /nfs/dbraw/zinc/21/83/31/290218331.db2.gz FQGXEEWHNRQFMB-CQSZACIVSA-N 2 1 277.412 2.220 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000459744802 290224516 /nfs/dbraw/zinc/22/45/16/290224516.db2.gz XWXVJOYOOFQPSW-KBUPBQIOSA-N 2 1 266.429 2.121 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000459777139 290236616 /nfs/dbraw/zinc/23/66/16/290236616.db2.gz KCLLCHCRZWDVEG-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(O)(CC)CC)[C@H](C)C1 ZINC000471761650 290282321 /nfs/dbraw/zinc/28/23/21/290282321.db2.gz UVFHOUXWTRECPH-ZIAGYGMSSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H]1CC1(C)C ZINC000487272302 290339460 /nfs/dbraw/zinc/33/94/60/290339460.db2.gz LZBBRCHVNCVUAT-STQMWFEESA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000488417732 290397125 /nfs/dbraw/zinc/39/71/25/290397125.db2.gz WSROCANCCMTOQJ-VDHUWJSZSA-N 2 1 288.435 2.115 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000488417732 290397129 /nfs/dbraw/zinc/39/71/29/290397129.db2.gz WSROCANCCMTOQJ-VDHUWJSZSA-N 2 1 288.435 2.115 20 0 CEADMP [NH3+]CCC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000414705762 295229406 /nfs/dbraw/zinc/22/94/06/295229406.db2.gz LXWJUYKNLFXJIO-INIZCTEOSA-N 2 1 262.397 2.097 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cc2n(n1)CCC2 ZINC000515352327 297571739 /nfs/dbraw/zinc/57/17/39/297571739.db2.gz XITRGJXLKNKLOG-GFCCVEGCSA-N 2 1 270.380 2.139 20 0 CEADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527660396 297734194 /nfs/dbraw/zinc/73/41/94/297734194.db2.gz PPKONGMECOQVGD-QEJZJMRPSA-N 2 1 266.429 2.121 20 0 CEADMP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000530206287 298048839 /nfs/dbraw/zinc/04/88/39/298048839.db2.gz AGFGEGOIGYFECB-INIZCTEOSA-N 2 1 280.387 2.067 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)Cc1ccc(F)cc1 ZINC000530222858 298056373 /nfs/dbraw/zinc/05/63/73/298056373.db2.gz HYDRSZRMAQMPCQ-UTJXIGIESA-N 2 1 294.414 2.359 20 0 CEADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCc1c[nH+]cn1C ZINC000530407517 298068869 /nfs/dbraw/zinc/06/88/69/298068869.db2.gz TVAKUDHFLKZOKU-ZDUSSCGKSA-N 2 1 297.406 2.450 20 0 CEADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000532226044 298136678 /nfs/dbraw/zinc/13/66/78/298136678.db2.gz UPDLQZNLNFQERJ-JKSUJKDBSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1CC[N@@H+](CCNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000532239344 298137538 /nfs/dbraw/zinc/13/75/38/298137538.db2.gz WCEHOLUEWHEAEY-CQSZACIVSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341287874 298287081 /nfs/dbraw/zinc/28/70/81/298287081.db2.gz RWBCZZYMALLHAU-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000341287874 298287085 /nfs/dbraw/zinc/28/70/85/298287085.db2.gz RWBCZZYMALLHAU-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358078266 298317342 /nfs/dbraw/zinc/31/73/42/298317342.db2.gz BVDOCFOLNFKMNK-MCIONIFRSA-N 2 1 282.428 2.323 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cncnc1C ZINC000563419652 298775640 /nfs/dbraw/zinc/77/56/40/298775640.db2.gz ZFYWMZRDNWBDJJ-GFCCVEGCSA-N 2 1 273.384 2.421 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000566555931 299002286 /nfs/dbraw/zinc/00/22/86/299002286.db2.gz AVDNFAYWLTXFDP-ZWKOTPCHSA-N 2 1 290.451 2.300 20 0 CEADMP CC(C)CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000179910207 312758214 /nfs/dbraw/zinc/75/82/14/312758214.db2.gz QZEIGWMPDIEGDF-OAHLLOKOSA-N 2 1 297.487 2.201 20 0 CEADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nncn2C)CC1 ZINC000182740451 312830077 /nfs/dbraw/zinc/83/00/77/312830077.db2.gz CUBINPKOWNXUTP-UHFFFAOYSA-N 2 1 293.459 2.149 20 0 CEADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000516921060 313098727 /nfs/dbraw/zinc/09/87/27/313098727.db2.gz SSHPLKCWRXNBDM-HUUCEWRRSA-N 3 1 267.461 2.086 20 0 CEADMP CCN(C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000520833351 313122394 /nfs/dbraw/zinc/12/23/94/313122394.db2.gz WWETXGHUTXVIKD-ZBFHGGJFSA-N 2 1 294.439 2.437 20 0 CEADMP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000521792703 313133177 /nfs/dbraw/zinc/13/31/77/313133177.db2.gz YAGCINMGNAKKMM-KFWWJZLASA-N 2 1 282.428 2.182 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCOC2)[C@H](C)C1 ZINC000527929633 313216165 /nfs/dbraw/zinc/21/61/65/313216165.db2.gz QMBFWRSAYBEKLN-KFWWJZLASA-N 2 1 254.418 2.123 20 0 CEADMP c1cc(CCC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc2c1OCC2 ZINC000530245306 313288395 /nfs/dbraw/zinc/28/83/95/313288395.db2.gz VZCULWNJMMYXFW-QGZVFWFLSA-N 2 1 286.419 2.428 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000532736540 313356851 /nfs/dbraw/zinc/35/68/51/313356851.db2.gz KPWQCKISAVPYTM-RYUDHWBXSA-N 2 1 253.415 2.407 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CNC1(c2ccc(F)cc2)CCCC1 ZINC000571058465 314071107 /nfs/dbraw/zinc/07/11/07/314071107.db2.gz XGMUXTHCTDNPNN-INIZCTEOSA-N 2 1 294.414 2.497 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000571058465 314071113 /nfs/dbraw/zinc/07/11/13/314071113.db2.gz XGMUXTHCTDNPNN-INIZCTEOSA-N 2 1 294.414 2.497 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000571058465 314071116 /nfs/dbraw/zinc/07/11/16/314071116.db2.gz XGMUXTHCTDNPNN-INIZCTEOSA-N 2 1 294.414 2.497 20 0 CEADMP CCCc1nc(C)c(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)o1 ZINC000572234349 314125444 /nfs/dbraw/zinc/12/54/44/314125444.db2.gz VECYSEXCKPRVTH-DGCLKSJQSA-N 2 1 265.401 2.413 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000573931587 314184730 /nfs/dbraw/zinc/18/47/30/314184730.db2.gz YJINWZOCQUOWFS-ZNMIVQPWSA-N 2 1 270.461 2.446 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000573931587 314184731 /nfs/dbraw/zinc/18/47/31/314184731.db2.gz YJINWZOCQUOWFS-ZNMIVQPWSA-N 2 1 270.461 2.446 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000573931587 314184734 /nfs/dbraw/zinc/18/47/34/314184734.db2.gz YJINWZOCQUOWFS-ZNMIVQPWSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000573931587 314184736 /nfs/dbraw/zinc/18/47/36/314184736.db2.gz YJINWZOCQUOWFS-ZNMIVQPWSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000573931587 314184739 /nfs/dbraw/zinc/18/47/39/314184739.db2.gz YJINWZOCQUOWFS-ZNMIVQPWSA-N 2 1 270.461 2.446 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000576129349 314245858 /nfs/dbraw/zinc/24/58/58/314245858.db2.gz STOXQABMJMAZHE-OAHLLOKOSA-N 2 1 270.380 2.212 20 0 CEADMP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)Sc1ccccc1 ZINC000576576380 314289259 /nfs/dbraw/zinc/28/92/59/314289259.db2.gz ALHYPLFYOIXULS-UKRRQHHQSA-N 2 1 294.464 2.212 20 0 CEADMP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)Sc1ccccc1 ZINC000576576380 314289262 /nfs/dbraw/zinc/28/92/62/314289262.db2.gz ALHYPLFYOIXULS-UKRRQHHQSA-N 2 1 294.464 2.212 20 0 CEADMP c1cnc2ccc(C[NH2+]CCC[NH+]3CCC3)cc2c1 ZINC000577389076 314371909 /nfs/dbraw/zinc/37/19/09/314371909.db2.gz VKWJCODEAXNUDD-UHFFFAOYSA-N 2 1 255.365 2.420 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000578626222 314499811 /nfs/dbraw/zinc/49/98/11/314499811.db2.gz FZYIYEMZLZJNPM-NXEZZACHSA-N 2 1 280.803 2.442 20 0 CEADMP Cc1[nH+]ccc(NC[C@@H]2CCC[N@H+](C)C2)c1Cl ZINC000393840476 329090348 /nfs/dbraw/zinc/09/03/48/329090348.db2.gz SJABCGCXLFCUJQ-NSHDSACASA-N 2 1 253.777 2.219 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000580324219 322311366 /nfs/dbraw/zinc/31/13/66/322311366.db2.gz AWBOGZATDDKJAG-CABCVRRESA-N 2 1 262.397 2.494 20 0 CEADMP Cc1cnc(C)nc1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000580465423 322320039 /nfs/dbraw/zinc/32/00/39/322320039.db2.gz ILDHRTWVXKOYOP-CYBMUJFWSA-N 2 1 262.401 2.048 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000580947318 322356558 /nfs/dbraw/zinc/35/65/58/322356558.db2.gz QLKVDJHUWMEGMB-KGLIPLIRSA-N 2 1 282.453 2.321 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000580947318 322356560 /nfs/dbraw/zinc/35/65/60/322356560.db2.gz QLKVDJHUWMEGMB-KGLIPLIRSA-N 2 1 282.453 2.321 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C(C)C ZINC000581251344 322381416 /nfs/dbraw/zinc/38/14/16/322381416.db2.gz OFRCKMQZDKPNGN-WBVHZDCISA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C(C)C ZINC000581251344 322381418 /nfs/dbraw/zinc/38/14/18/322381418.db2.gz OFRCKMQZDKPNGN-WBVHZDCISA-N 2 1 295.471 2.096 20 0 CEADMP CO[C@@]1(C)C[C@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000584239609 327106678 /nfs/dbraw/zinc/10/66/78/327106678.db2.gz GWMMODLUJRSUJK-HOCLYGCPSA-N 2 1 279.428 2.488 20 0 CEADMP CO[C@@]1(C)C[C@H]([N@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000584239609 327106676 /nfs/dbraw/zinc/10/66/76/327106676.db2.gz GWMMODLUJRSUJK-HOCLYGCPSA-N 2 1 279.428 2.488 20 0 CEADMP CC(C)C[N@H+](CCCc1c[nH+]cn1C)Cc1cnn(C)c1 ZINC000584299193 327229281 /nfs/dbraw/zinc/22/92/81/327229281.db2.gz AVJCGLWTRFSLFI-UHFFFAOYSA-N 2 1 289.427 2.244 20 0 CEADMP CC(C)C[N@@H+](CCCc1c[nH+]cn1C)Cc1cnn(C)c1 ZINC000584299193 327229283 /nfs/dbraw/zinc/22/92/83/327229283.db2.gz AVJCGLWTRFSLFI-UHFFFAOYSA-N 2 1 289.427 2.244 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000161648101 518386291 /nfs/dbraw/zinc/38/62/91/518386291.db2.gz FMEADHCARQZDJP-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000161648101 518386296 /nfs/dbraw/zinc/38/62/96/518386296.db2.gz FMEADHCARQZDJP-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000365188958 520610184 /nfs/dbraw/zinc/61/01/84/520610184.db2.gz IGFVFWXGTRSPIE-KRWDZBQOSA-N 2 1 294.414 2.451 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000365188958 520610185 /nfs/dbraw/zinc/61/01/85/520610185.db2.gz IGFVFWXGTRSPIE-KRWDZBQOSA-N 2 1 294.414 2.451 20 0 CEADMP CCOc1cc(C[NH2+][C@H](C)CC[NH+](C)C)ccc1O ZINC000049551778 520727858 /nfs/dbraw/zinc/72/78/58/520727858.db2.gz YQCKFMCJSSFBQS-GFCCVEGCSA-N 2 1 266.385 2.221 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[NH2+]C[C@@H]2C(C)C)c1C ZINC000068695803 521811181 /nfs/dbraw/zinc/81/11/81/521811181.db2.gz VNLNJBKEZVNFSM-OAHLLOKOSA-N 2 1 277.412 2.137 20 0 CEADMP [NH3+]CCOCC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000357068210 534636477 /nfs/dbraw/zinc/63/64/77/534636477.db2.gz DLYLVUNRCXIGGY-ZDUSSCGKSA-N 2 1 268.788 2.105 20 0 CEADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363786239 523490639 /nfs/dbraw/zinc/49/06/39/523490639.db2.gz QTCKIKNLOFEIKW-MWDXBVQZSA-N 2 1 298.471 2.281 20 0 CEADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363786239 523490649 /nfs/dbraw/zinc/49/06/49/523490649.db2.gz QTCKIKNLOFEIKW-MWDXBVQZSA-N 2 1 298.471 2.281 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnoc3C3CC3)CC[C@H]21 ZINC000363481075 523856338 /nfs/dbraw/zinc/85/63/38/523856338.db2.gz PWPHTYJXHNBRQF-DZGCQCFKSA-N 2 1 275.396 2.468 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnoc3C3CC3)CC[C@H]21 ZINC000363481075 523856343 /nfs/dbraw/zinc/85/63/43/523856343.db2.gz PWPHTYJXHNBRQF-DZGCQCFKSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnoc3C3CC3)CC[C@H]21 ZINC000363481075 523856347 /nfs/dbraw/zinc/85/63/47/523856347.db2.gz PWPHTYJXHNBRQF-DZGCQCFKSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnoc3C3CC3)CC[C@H]21 ZINC000363481075 523856356 /nfs/dbraw/zinc/85/63/56/523856356.db2.gz PWPHTYJXHNBRQF-DZGCQCFKSA-N 2 1 275.396 2.468 20 0 CEADMP CO[C@H](C)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000363708390 523880423 /nfs/dbraw/zinc/88/04/23/523880423.db2.gz DKOSQYXRPKEWRG-ZIAGYGMSSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000163828548 524503525 /nfs/dbraw/zinc/50/35/25/524503525.db2.gz PDRBPSUWKRRSKD-OLZOCXBDSA-N 2 1 293.386 2.071 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000157588070 524551515 /nfs/dbraw/zinc/55/15/15/524551515.db2.gz KROXBVBANQYTTP-PMPSAXMXSA-N 2 1 278.444 2.372 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000157588070 524551525 /nfs/dbraw/zinc/55/15/25/524551525.db2.gz KROXBVBANQYTTP-PMPSAXMXSA-N 2 1 278.444 2.372 20 0 CEADMP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358149288 524861031 /nfs/dbraw/zinc/86/10/31/524861031.db2.gz YSYACDAZNATGBC-HNNXBMFYSA-N 2 1 282.815 2.113 20 0 CEADMP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358149288 524861040 /nfs/dbraw/zinc/86/10/40/524861040.db2.gz YSYACDAZNATGBC-HNNXBMFYSA-N 2 1 282.815 2.113 20 0 CEADMP Cc1cnc(CC[N@H+](C)CC[C@H]2CCC[NH+]2C)s1 ZINC000163428543 525994801 /nfs/dbraw/zinc/99/48/01/525994801.db2.gz XMGQQKNXRDLCRB-CYBMUJFWSA-N 2 1 267.442 2.410 20 0 CEADMP Cc1cnc(CC[N@@H+](C)CC[C@H]2CCC[NH+]2C)s1 ZINC000163428543 525994806 /nfs/dbraw/zinc/99/48/06/525994806.db2.gz XMGQQKNXRDLCRB-CYBMUJFWSA-N 2 1 267.442 2.410 20 0 CEADMP Cc1cnc(CC[NH+](C)CC[C@H]2CCC[N@@H+]2C)s1 ZINC000163428543 525994812 /nfs/dbraw/zinc/99/48/12/525994812.db2.gz XMGQQKNXRDLCRB-CYBMUJFWSA-N 2 1 267.442 2.410 20 0 CEADMP Cc1cnc(CC[NH+](C)CC[C@H]2CCC[N@H+]2C)s1 ZINC000163428543 525994823 /nfs/dbraw/zinc/99/48/23/525994823.db2.gz XMGQQKNXRDLCRB-CYBMUJFWSA-N 2 1 267.442 2.410 20 0 CEADMP Cc1cnn(C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000363458897 526254718 /nfs/dbraw/zinc/25/47/18/526254718.db2.gz CXAGESPRNNYQKB-HNNXBMFYSA-N 2 1 276.428 2.313 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000368974467 527683037 /nfs/dbraw/zinc/68/30/37/527683037.db2.gz PKUMBULFKVPLDL-ZJPYXAASSA-N 2 1 292.467 2.344 20 0 CEADMP O[C@H](CC1CCCC1)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000368974467 527683040 /nfs/dbraw/zinc/68/30/40/527683040.db2.gz PKUMBULFKVPLDL-ZJPYXAASSA-N 2 1 292.467 2.344 20 0 CEADMP O[C@H](CC1CCCC1)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000368974467 527683043 /nfs/dbraw/zinc/68/30/43/527683043.db2.gz PKUMBULFKVPLDL-ZJPYXAASSA-N 2 1 292.467 2.344 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000353750893 527836566 /nfs/dbraw/zinc/83/65/66/527836566.db2.gz ORRRKQKMZBUQTQ-BBRMVZONSA-N 2 1 289.423 2.090 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000353750893 527836572 /nfs/dbraw/zinc/83/65/72/527836572.db2.gz ORRRKQKMZBUQTQ-BBRMVZONSA-N 2 1 289.423 2.090 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000353750893 527836576 /nfs/dbraw/zinc/83/65/76/527836576.db2.gz ORRRKQKMZBUQTQ-BBRMVZONSA-N 2 1 289.423 2.090 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000353750893 527836579 /nfs/dbraw/zinc/83/65/79/527836579.db2.gz ORRRKQKMZBUQTQ-BBRMVZONSA-N 2 1 289.423 2.090 20 0 CEADMP CC[NH+](CC)Cc1ccc(-c2nc(C[NH2+]C)no2)cc1 ZINC000414506179 528186240 /nfs/dbraw/zinc/18/62/40/528186240.db2.gz WBCWAASHWSVRIE-UHFFFAOYSA-N 2 1 274.368 2.298 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000166370901 528467787 /nfs/dbraw/zinc/46/77/87/528467787.db2.gz IHKHOCNXSZPRNF-ZIAGYGMSSA-N 2 1 283.460 2.131 20 0 CEADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000412115879 528743207 /nfs/dbraw/zinc/74/32/07/528743207.db2.gz BHDUWQWNOQCTGH-WCVJEAGWSA-N 2 1 295.471 2.046 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000412115879 528743213 /nfs/dbraw/zinc/74/32/13/528743213.db2.gz BHDUWQWNOQCTGH-WCVJEAGWSA-N 2 1 295.471 2.046 20 0 CEADMP CCCC[C@@H](C[NH3+])NC(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000417692669 528807731 /nfs/dbraw/zinc/80/77/31/528807731.db2.gz AOLCDPNMVYNJGJ-GJZGRUSLSA-N 2 1 298.475 2.068 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348123758 538853003 /nfs/dbraw/zinc/85/30/03/538853003.db2.gz MLFTZAAGNWEHSQ-XHSDSOJGSA-N 2 1 266.429 2.002 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348123753 538853432 /nfs/dbraw/zinc/85/34/32/538853432.db2.gz MLFTZAAGNWEHSQ-ARFHVFGLSA-N 2 1 266.429 2.002 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000749446050 575219935 /nfs/dbraw/zinc/21/99/35/575219935.db2.gz KYSVLTGYDRMTSG-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP C[NH+](C)CCCCC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000729286039 574484463 /nfs/dbraw/zinc/48/44/63/574484463.db2.gz AZSHEEINCLKDQE-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729374967 574486211 /nfs/dbraw/zinc/48/62/11/574486211.db2.gz XGBLYVMRIIBCEO-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC000732138375 574613139 /nfs/dbraw/zinc/61/31/39/574613139.db2.gz BARGJKORIOARCX-MRXNPFEDSA-N 2 1 295.471 2.243 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000740876983 574970786 /nfs/dbraw/zinc/97/07/86/574970786.db2.gz RUEYHKZIEFLTLS-UHFFFAOYSA-N 2 1 283.460 2.053 20 0 CEADMP C[N@H+](C[C@@H](O)c1cc(F)ccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000741250762 574979338 /nfs/dbraw/zinc/97/93/38/574979338.db2.gz JKEQSKOFKOYZNY-BLLLJJGKSA-N 2 1 298.377 2.272 20 0 CEADMP C[N@@H+](C[C@@H](O)c1cc(F)ccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000741250762 574979339 /nfs/dbraw/zinc/97/93/39/574979339.db2.gz JKEQSKOFKOYZNY-BLLLJJGKSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@@H](O)c1cc(F)ccc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000741250762 574979340 /nfs/dbraw/zinc/97/93/40/574979340.db2.gz JKEQSKOFKOYZNY-BLLLJJGKSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@@H](O)c1cc(F)ccc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000741250762 574979341 /nfs/dbraw/zinc/97/93/41/574979341.db2.gz JKEQSKOFKOYZNY-BLLLJJGKSA-N 2 1 298.377 2.272 20 0 CEADMP CCC[C@]1(C)CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000743872314 575111517 /nfs/dbraw/zinc/11/15/17/575111517.db2.gz NOICMPFHXMPZIR-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP CN(C)c1cc(NC(=O)CCCC[NH+]2CCCC2)cc[nH+]1 ZINC000748583692 575190014 /nfs/dbraw/zinc/19/00/14/575190014.db2.gz CCDTUXNGGSWUPV-UHFFFAOYSA-N 2 1 290.411 2.352 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCc1cccs1 ZINC000749535755 575224395 /nfs/dbraw/zinc/22/43/95/575224395.db2.gz UAGIIHCLAROAJC-BMFZPTHFSA-N 2 1 294.464 2.474 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)[C@@H](C)C1 ZINC000753371088 575324734 /nfs/dbraw/zinc/32/47/34/575324734.db2.gz KLFGWGTVADJNPU-HOCLYGCPSA-N 2 1 299.422 2.087 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)[C@@H](C)C1 ZINC000753371088 575324735 /nfs/dbraw/zinc/32/47/35/575324735.db2.gz KLFGWGTVADJNPU-HOCLYGCPSA-N 2 1 299.422 2.087 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000894533283 629516987 /nfs/dbraw/zinc/51/69/87/629516987.db2.gz DPLIRQRHYAFMNJ-CQSZACIVSA-N 3 1 255.450 2.038 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000894533283 629516989 /nfs/dbraw/zinc/51/69/89/629516989.db2.gz DPLIRQRHYAFMNJ-CQSZACIVSA-N 3 1 255.450 2.038 20 0 CEADMP CC(C)CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000981392045 614031086 /nfs/dbraw/zinc/03/10/86/614031086.db2.gz ZQGRBSIUUSSKSE-INIZCTEOSA-N 2 1 297.487 2.153 20 0 CEADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948040261 614042249 /nfs/dbraw/zinc/04/22/49/614042249.db2.gz OHZNQFRZUOJDAB-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000968780321 614087072 /nfs/dbraw/zinc/08/70/72/614087072.db2.gz CTWNCFAZTOAHCJ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000968780321 614087075 /nfs/dbraw/zinc/08/70/75/614087075.db2.gz CTWNCFAZTOAHCJ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000968780321 614087079 /nfs/dbraw/zinc/08/70/79/614087079.db2.gz CTWNCFAZTOAHCJ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970177363 614149897 /nfs/dbraw/zinc/14/98/97/614149897.db2.gz URQVJRFKGUTWDI-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000972479176 614282692 /nfs/dbraw/zinc/28/26/92/614282692.db2.gz SKFFPSZZWCGPPZ-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970529140 614322352 /nfs/dbraw/zinc/32/23/52/614322352.db2.gz MTNLIXPEPVXJOB-GOEBONIOSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000972651891 614324159 /nfs/dbraw/zinc/32/41/59/614324159.db2.gz UXUWHIRVDIONJL-INIZCTEOSA-N 2 1 295.471 2.048 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975045467 614401865 /nfs/dbraw/zinc/40/18/65/614401865.db2.gz AUEYATTTZJODKQ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975045467 614401867 /nfs/dbraw/zinc/40/18/67/614401867.db2.gz AUEYATTTZJODKQ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975045467 614401869 /nfs/dbraw/zinc/40/18/69/614401869.db2.gz AUEYATTTZJODKQ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC000971682332 614544399 /nfs/dbraw/zinc/54/43/99/614544399.db2.gz NSYPHVRSCXHJPJ-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971682332 614544403 /nfs/dbraw/zinc/54/44/03/614544403.db2.gz NSYPHVRSCXHJPJ-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971682332 614544407 /nfs/dbraw/zinc/54/44/07/614544407.db2.gz NSYPHVRSCXHJPJ-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000972485906 614546430 /nfs/dbraw/zinc/54/64/30/614546430.db2.gz PDBYIEDGDWJBDO-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000972485906 614546433 /nfs/dbraw/zinc/54/64/33/614546433.db2.gz PDBYIEDGDWJBDO-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972485906 614546436 /nfs/dbraw/zinc/54/64/36/614546436.db2.gz PDBYIEDGDWJBDO-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970528611 614612491 /nfs/dbraw/zinc/61/24/91/614612491.db2.gz HKRZRAAHMGADCY-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919667 614629670 /nfs/dbraw/zinc/62/96/70/614629670.db2.gz HYAQRNKOHBOLSK-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919667 614629671 /nfs/dbraw/zinc/62/96/71/614629671.db2.gz HYAQRNKOHBOLSK-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000968919667 614629673 /nfs/dbraw/zinc/62/96/73/614629673.db2.gz HYAQRNKOHBOLSK-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000968919667 614629675 /nfs/dbraw/zinc/62/96/75/614629675.db2.gz HYAQRNKOHBOLSK-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC000972156556 614668255 /nfs/dbraw/zinc/66/82/55/614668255.db2.gz NWFBJFZARASEME-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000972156556 614668258 /nfs/dbraw/zinc/66/82/58/614668258.db2.gz NWFBJFZARASEME-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972156556 614668260 /nfs/dbraw/zinc/66/82/60/614668260.db2.gz NWFBJFZARASEME-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942558666 614707627 /nfs/dbraw/zinc/70/76/27/614707627.db2.gz ZNAXWGUMMYUWQI-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000981370127 614981718 /nfs/dbraw/zinc/98/17/18/614981718.db2.gz WQKHPNCSHPRWDL-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000981370127 614981720 /nfs/dbraw/zinc/98/17/20/614981720.db2.gz WQKHPNCSHPRWDL-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000981370127 614981724 /nfs/dbraw/zinc/98/17/24/614981724.db2.gz WQKHPNCSHPRWDL-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948770413 615135954 /nfs/dbraw/zinc/13/59/54/615135954.db2.gz HUTASAHWVWGHHO-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000948770413 615135955 /nfs/dbraw/zinc/13/59/55/615135955.db2.gz HUTASAHWVWGHHO-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000948770413 615135957 /nfs/dbraw/zinc/13/59/57/615135957.db2.gz HUTASAHWVWGHHO-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000073987808 622750365 /nfs/dbraw/zinc/75/03/65/622750365.db2.gz FLEGMFSKBREEGC-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1ncsc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000120858688 622954748 /nfs/dbraw/zinc/95/47/48/622954748.db2.gz CTZUMTVNCDQYDA-UHFFFAOYSA-N 2 1 274.393 2.169 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000892479620 625610622 /nfs/dbraw/zinc/61/06/22/625610622.db2.gz IXDPPDLFUCVJKG-UHFFFAOYSA-N 2 1 265.376 2.492 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=[NH2+])NC1CCCC1 ZINC000052046818 625638837 /nfs/dbraw/zinc/63/88/37/625638837.db2.gz NEUJKOCBYKKJDN-ZDUSSCGKSA-N 2 1 266.433 2.307 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000050246992 623372847 /nfs/dbraw/zinc/37/28/47/623372847.db2.gz SGJPWQAOAAUFQB-NSHDSACASA-N 2 1 259.328 2.155 20 0 CEADMP CC/C=C(/C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000725717028 623474080 /nfs/dbraw/zinc/47/40/80/623474080.db2.gz DMCZWPOBXGBZRA-QOBZYLRHSA-N 2 1 295.471 2.217 20 0 CEADMP CCCC[N@@H+](C)CCNc1cc(N)[nH+]cc1Cl ZINC000892491738 625658632 /nfs/dbraw/zinc/65/86/32/625658632.db2.gz GUZUGUQVZXELKL-UHFFFAOYSA-N 2 1 256.781 2.461 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000070171110 623561012 /nfs/dbraw/zinc/56/10/12/623561012.db2.gz KHWZXFQXGNDGIT-LLVKDONJSA-N 2 1 253.777 2.296 20 0 CEADMP Cc1cc(N)nc(NC[C@H](c2ccsc2)[NH+](C)C)[nH+]1 ZINC000891729928 623931943 /nfs/dbraw/zinc/93/19/43/623931943.db2.gz ZQTJOLWOMDOACF-LLVKDONJSA-N 2 1 277.397 2.144 20 0 CEADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CC[C@H]1CCC[NH+]1C ZINC000089428304 623995419 /nfs/dbraw/zinc/99/54/19/623995419.db2.gz SDAVJOMAYLDBOT-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP C[NH+](CCCNC(=O)OC(C)(C)C)CC[C@H]1CCC[N@@H+]1C ZINC000089428304 623995424 /nfs/dbraw/zinc/99/54/24/623995424.db2.gz SDAVJOMAYLDBOT-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP C[NH+](CCCNC(=O)OC(C)(C)C)CC[C@H]1CCC[N@H+]1C ZINC000089428304 623995428 /nfs/dbraw/zinc/99/54/28/623995428.db2.gz SDAVJOMAYLDBOT-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP CCc1[nH]nc(Cl)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000891934824 624116691 /nfs/dbraw/zinc/11/66/91/624116691.db2.gz WSOCCAWWELSQON-UHFFFAOYSA-N 2 1 284.835 2.399 20 0 CEADMP CCc1[nH]nc(Cl)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000891934824 624116692 /nfs/dbraw/zinc/11/66/92/624116692.db2.gz WSOCCAWWELSQON-UHFFFAOYSA-N 2 1 284.835 2.399 20 0 CEADMP Cc1nn(C)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1Cl ZINC000891936074 624118145 /nfs/dbraw/zinc/11/81/45/624118145.db2.gz VFJYROLPLLZYCU-UHFFFAOYSA-N 2 1 284.835 2.156 20 0 CEADMP Cc1nn(C)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1Cl ZINC000891936074 624118149 /nfs/dbraw/zinc/11/81/49/624118149.db2.gz VFJYROLPLLZYCU-UHFFFAOYSA-N 2 1 284.835 2.156 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2cnn(C)c2)s1 ZINC000261999550 624202577 /nfs/dbraw/zinc/20/25/77/624202577.db2.gz TZYRIRBOGYRINV-VXGBXAGGSA-N 2 1 290.436 2.318 20 0 CEADMP CCOC[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892049576 624276998 /nfs/dbraw/zinc/27/69/98/624276998.db2.gz SXPSCTDPLQXQCV-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cncs1 ZINC000934194582 624308294 /nfs/dbraw/zinc/30/82/94/624308294.db2.gz YHJMQTHVEMQJPD-JTQLQIEISA-N 2 1 250.371 2.160 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCSC[C@H]2C)CC1 ZINC000934299498 624397042 /nfs/dbraw/zinc/39/70/42/624397042.db2.gz VMNMGJRCCNWGPP-MRXNPFEDSA-N 2 1 299.528 2.230 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2c(F)cc(F)cc2F)C1 ZINC000848719627 624406872 /nfs/dbraw/zinc/40/68/72/624406872.db2.gz AHEXZWGFICRDRX-VHSXEESVSA-N 2 1 258.287 2.463 20 0 CEADMP c1csc(C[C@H]2CC[N@H+](CCCn3ccnc3)C2)n1 ZINC000934331577 624421643 /nfs/dbraw/zinc/42/16/43/624421643.db2.gz DVTQXRWHTVCFTD-CYBMUJFWSA-N 2 1 276.409 2.294 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(N)c3)CC[C@@H]21 ZINC000125484583 624595791 /nfs/dbraw/zinc/59/57/91/624595791.db2.gz TWPBNUVZBRKRAN-ZBFHGGJFSA-N 2 1 259.397 2.185 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(N)c3)CC[C@@H]21 ZINC000125484583 624595796 /nfs/dbraw/zinc/59/57/96/624595796.db2.gz TWPBNUVZBRKRAN-ZBFHGGJFSA-N 2 1 259.397 2.185 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(N)c3)CC[C@@H]21 ZINC000125484583 624595802 /nfs/dbraw/zinc/59/58/02/624595802.db2.gz TWPBNUVZBRKRAN-ZBFHGGJFSA-N 2 1 259.397 2.185 20 0 CEADMP CS[C@@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000235164082 624931493 /nfs/dbraw/zinc/93/14/93/624931493.db2.gz WKEWMKBKFGHMJM-CHWSQXEVSA-N 2 1 253.415 2.455 20 0 CEADMP C[C@@H](Cc1ccccn1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000926573382 625138991 /nfs/dbraw/zinc/13/89/91/625138991.db2.gz MFLKOEHWTAKALU-GJZGRUSLSA-N 2 1 261.413 2.334 20 0 CEADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)[C@@H]1CCCO1 ZINC000820829077 634543156 /nfs/dbraw/zinc/54/31/56/634543156.db2.gz FEQFKIVXNUCCOZ-QHEDDYRISA-N 2 1 296.455 2.175 20 0 CEADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C2CC2)n1 ZINC000892608996 627307386 /nfs/dbraw/zinc/30/73/86/627307386.db2.gz UBDCMXWQGITGNF-HUUCEWRRSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C2CC2)n1 ZINC000892608996 627307390 /nfs/dbraw/zinc/30/73/90/627307390.db2.gz UBDCMXWQGITGNF-HUUCEWRRSA-N 2 1 274.412 2.014 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C[NH+]1CCCCC1 ZINC000902320240 634569638 /nfs/dbraw/zinc/56/96/38/634569638.db2.gz PGTYAZMYUVXYFC-CVEARBPZSA-N 3 1 281.488 2.476 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCC(C)(C)CC1 ZINC000311762218 627698649 /nfs/dbraw/zinc/69/86/49/627698649.db2.gz VDCVQUSTAQLXIG-HNNXBMFYSA-N 2 1 268.445 2.344 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCC(C)(C)CC1 ZINC000311762218 627698653 /nfs/dbraw/zinc/69/86/53/627698653.db2.gz VDCVQUSTAQLXIG-HNNXBMFYSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000311871388 627709879 /nfs/dbraw/zinc/70/98/79/627709879.db2.gz LUEKYVZADCRSDF-CABCVRRESA-N 2 1 260.381 2.058 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000311871388 627709883 /nfs/dbraw/zinc/70/98/83/627709883.db2.gz LUEKYVZADCRSDF-CABCVRRESA-N 2 1 260.381 2.058 20 0 CEADMP c1cnc2c(c1)cccc2C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328564106 627891135 /nfs/dbraw/zinc/89/11/35/627891135.db2.gz JZAALIKCRIIWCM-OLEVXBPZSA-N 2 1 279.387 2.321 20 0 CEADMP Cc1ccc(OC[C@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000328571548 627891998 /nfs/dbraw/zinc/89/19/98/627891998.db2.gz SSSKVEYMJMUNER-ZPXWFNGJSA-N 2 1 286.419 2.348 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902364598 634619596 /nfs/dbraw/zinc/61/95/96/634619596.db2.gz TVWMDIRYCGQOSD-CABCVRRESA-N 3 1 267.461 2.086 20 0 CEADMP CCC[N@@H+]1CC[C@H](CN[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902364598 634619600 /nfs/dbraw/zinc/61/96/00/634619600.db2.gz TVWMDIRYCGQOSD-CABCVRRESA-N 2 1 267.461 2.086 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902364598 634619608 /nfs/dbraw/zinc/61/96/08/634619608.db2.gz TVWMDIRYCGQOSD-CABCVRRESA-N 2 1 267.461 2.086 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(NCC3=CC[N@H+](C)CC3)c12 ZINC000893099948 628001653 /nfs/dbraw/zinc/00/16/53/628001653.db2.gz VVVAMKHKWRZPPZ-UHFFFAOYSA-N 2 1 271.368 2.146 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(NCC3=CC[N@@H+](C)CC3)c12 ZINC000893099948 628001656 /nfs/dbraw/zinc/00/16/56/628001656.db2.gz VVVAMKHKWRZPPZ-UHFFFAOYSA-N 2 1 271.368 2.146 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925508961 628026862 /nfs/dbraw/zinc/02/68/62/628026862.db2.gz JTCPOTSRVZWDHQ-BMFZPTHFSA-N 2 1 261.413 2.149 20 0 CEADMP CC[NH+]1CCC(CCN[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925518082 628064469 /nfs/dbraw/zinc/06/44/69/628064469.db2.gz PRHJYZIAVOAFDS-INIZCTEOSA-N 2 1 279.472 2.373 20 0 CEADMP C[C@@H]([NH2+]C1CCC(C[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000893187693 628105504 /nfs/dbraw/zinc/10/55/04/628105504.db2.gz ULVZFXDPGWCIIG-IYXRBSQSSA-N 2 1 284.444 2.427 20 0 CEADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1ccc2c(c1)OCO2 ZINC000925530837 628130274 /nfs/dbraw/zinc/13/02/74/628130274.db2.gz VWYLEDQHWFDUSB-OAHLLOKOSA-N 2 1 290.407 2.423 20 0 CEADMP C[C@H]([NH3+])[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000925561037 628229557 /nfs/dbraw/zinc/22/95/57/628229557.db2.gz IJQMVKJHTROOAF-LLLHUVSDSA-N 2 1 273.424 2.291 20 0 CEADMP CC(C)c1nc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cs1 ZINC000925565110 628236964 /nfs/dbraw/zinc/23/69/64/628236964.db2.gz OXYITOYIMPBGHS-XSXPHNMFSA-N 2 1 291.464 2.395 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC000893309755 628288710 /nfs/dbraw/zinc/28/87/10/628288710.db2.gz HTEUCHCMBBAPBG-GOSISDBHSA-N 2 1 288.435 2.272 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000893310943 628290017 /nfs/dbraw/zinc/29/00/17/628290017.db2.gz UNEVNJCYEZNEND-LSDHHAIUSA-N 2 1 268.445 2.057 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2cnc(F)c(C)c2)CC1 ZINC000893323550 628317555 /nfs/dbraw/zinc/31/75/55/628317555.db2.gz GGMDIIVYCOORGM-UHFFFAOYSA-N 2 1 265.376 2.493 20 0 CEADMP C[C@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000925631799 628325724 /nfs/dbraw/zinc/32/57/24/628325724.db2.gz KMHKAZFRHWPMIA-XOSAIJSUSA-N 2 1 291.483 2.499 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000925664077 628378764 /nfs/dbraw/zinc/37/87/64/628378764.db2.gz YNYHUQKKXOZCQV-IUODEOHRSA-N 2 1 257.381 2.441 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)[C@@H]1CCC[NH2+]1 ZINC000902433206 634654252 /nfs/dbraw/zinc/65/42/52/634654252.db2.gz YRKXINMJFJLTSK-AJNGGQMLSA-N 2 1 252.402 2.064 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccccc1 ZINC000925669298 628451839 /nfs/dbraw/zinc/45/18/39/628451839.db2.gz AAXJLHFSFXXYDG-CLWVCHIJSA-N 2 1 262.397 2.337 20 0 CEADMP CSC1(CN[C@@H]2CC[NH2+]C23CCCC3)CC[NH+](C)CC1 ZINC000925669532 628452333 /nfs/dbraw/zinc/45/23/33/628452333.db2.gz VDRFSVSSTMYBSH-CQSZACIVSA-N 2 1 297.512 2.078 20 0 CEADMP CCc1nc2c(s1)[C@H]([NH2+]CC1([NH3+])CC1)CCC2 ZINC000902413467 634663419 /nfs/dbraw/zinc/66/34/19/634663419.db2.gz MEOHNIFLOGCZNU-SECBINFHSA-N 2 1 251.399 2.164 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2cccnc2)C1 ZINC000925695075 628520409 /nfs/dbraw/zinc/52/04/09/628520409.db2.gz WPQAXFOKYWMFSJ-ZNMIVQPWSA-N 2 1 275.396 2.032 20 0 CEADMP [NH3+][C@@H]1C[C@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)C12CCC2 ZINC000925704205 628547989 /nfs/dbraw/zinc/54/79/89/628547989.db2.gz CJTNJGLXEJMPDK-IMJJTQAJSA-N 2 1 277.456 2.253 20 0 CEADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1C[C@@H](O)c3ccccc31)[NH2+]2 ZINC000925710762 628559898 /nfs/dbraw/zinc/55/98/98/628559898.db2.gz QSUBKCYPYCJNTR-RPRBEYPGSA-N 2 1 272.392 2.283 20 0 CEADMP C[NH+](C)CCc1ccc(CNc2nccn3c[nH+]cc23)cc1 ZINC000893402484 628570719 /nfs/dbraw/zinc/57/07/19/628570719.db2.gz SGDUYMAJCZAQCK-UHFFFAOYSA-N 2 1 295.390 2.446 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000925720004 628584813 /nfs/dbraw/zinc/58/48/13/628584813.db2.gz CMXLGVZJWZMOEO-AEJSXWLSSA-N 2 1 251.201 2.300 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccccc3)CC[C@H]21 ZINC000313545101 628614294 /nfs/dbraw/zinc/61/42/94/628614294.db2.gz HGCIMHSMEKGDOC-BBWFWOEESA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)c3ccccc3)CC[C@H]21 ZINC000313545101 628614298 /nfs/dbraw/zinc/61/42/98/628614298.db2.gz HGCIMHSMEKGDOC-BBWFWOEESA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)c3ccccc3)CC[C@H]21 ZINC000313545101 628614303 /nfs/dbraw/zinc/61/43/03/628614303.db2.gz HGCIMHSMEKGDOC-BBWFWOEESA-N 2 1 274.408 2.136 20 0 CEADMP C[C@@H]([NH3+])[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000925727780 628647662 /nfs/dbraw/zinc/64/76/62/628647662.db2.gz HXJSLWPSJVLYAH-XJKCOSOUSA-N 3 1 261.413 2.053 20 0 CEADMP C[C@@H]([NH2+]C1CCS(=O)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488188 628649384 /nfs/dbraw/zinc/64/93/84/628649384.db2.gz PSEUTAOQBOFJIB-FXTZWWGYSA-N 2 1 298.496 2.140 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(N3CCC[C@@H]([NH+](C)C)CC3)c12 ZINC000893492909 628651716 /nfs/dbraw/zinc/65/17/16/628651716.db2.gz UPPSCKOOHISSSS-CYBMUJFWSA-N 2 1 287.411 2.441 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516868 628674319 /nfs/dbraw/zinc/67/43/19/628674319.db2.gz DLBGGDWBYGDTSX-DOMZBBRYSA-N 2 1 278.444 2.437 20 0 CEADMP C[N@@H+](CCC[NH3+])CCc1ccccc1Br ZINC000258756991 628764794 /nfs/dbraw/zinc/76/47/94/628764794.db2.gz MSHQWTOJGSYUHG-UHFFFAOYSA-N 2 1 271.202 2.272 20 0 CEADMP CCC[N@@H+](CCN(CC)CC)CC1CC[NH+](C)CC1 ZINC000893612746 628798667 /nfs/dbraw/zinc/79/86/67/628798667.db2.gz TYIYQCJMILGZRC-UHFFFAOYSA-N 2 1 269.477 2.382 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000317472544 628834314 /nfs/dbraw/zinc/83/43/14/628834314.db2.gz CPLCVXJUXPHUBA-IEBWSBKVSA-N 3 1 299.462 2.248 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000317472544 628834316 /nfs/dbraw/zinc/83/43/16/628834316.db2.gz CPLCVXJUXPHUBA-IEBWSBKVSA-N 3 1 299.462 2.248 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000317472544 628834319 /nfs/dbraw/zinc/83/43/19/628834319.db2.gz CPLCVXJUXPHUBA-IEBWSBKVSA-N 3 1 299.462 2.248 20 0 CEADMP C[C@H]([NH2+]Cc1nccc2c1CCCC2)[C@@H]1CC[NH2+]C1 ZINC000925805654 628856274 /nfs/dbraw/zinc/85/62/74/628856274.db2.gz KPARHOJDAHKBPD-GXTWGEPZSA-N 2 1 259.397 2.048 20 0 CEADMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925806487 628858340 /nfs/dbraw/zinc/85/83/40/628858340.db2.gz QIMYXMQISSYVGK-JOYOIKCWSA-N 2 1 260.341 2.154 20 0 CEADMP N[C@@H]1C[C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)C12CCC2 ZINC000925810382 628861826 /nfs/dbraw/zinc/86/18/26/628861826.db2.gz ZYUMWTNAAYXUBA-HZPDHXFCSA-N 2 1 279.472 2.406 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(C)C ZINC000902466189 634683778 /nfs/dbraw/zinc/68/37/78/634683778.db2.gz JUCBUNCZMBHHOZ-ITGHMWBKSA-N 2 1 252.402 2.061 20 0 CEADMP C(Cc1nc2c(s1)CCC2)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925832007 628926435 /nfs/dbraw/zinc/92/64/35/628926435.db2.gz QKDOYPYAHFQVOW-AWEZNQCLSA-N 2 1 291.464 2.439 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1cc2ccccc2[nH]1 ZINC000925832653 628926997 /nfs/dbraw/zinc/92/69/97/628926997.db2.gz SEEYQOJXKSLAQD-CYBMUJFWSA-N 2 1 287.407 2.275 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000925834415 628930252 /nfs/dbraw/zinc/93/02/52/628930252.db2.gz HBBMQSWEUCWZRL-UPJWGTAASA-N 2 1 293.377 2.133 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCNCC2)C[C@@H](C)C1 ZINC000925843182 628945639 /nfs/dbraw/zinc/94/56/39/628945639.db2.gz CYCJITZETKINJO-FVQHAEBGSA-N 2 1 281.488 2.476 20 0 CEADMP C(CC[NH2+][C@@H]1CC[C@H]1C1CCC1)CC[NH+]1CCNCC1 ZINC000925845716 628947936 /nfs/dbraw/zinc/94/79/36/628947936.db2.gz IAGHWPHCCAKZOT-DLBZAZTESA-N 2 1 279.472 2.230 20 0 CEADMP C(CC[NH2+][C@H]1CC[C@H]1C1CCC1)CC[NH+]1CCNCC1 ZINC000925845718 628948064 /nfs/dbraw/zinc/94/80/64/628948064.db2.gz IAGHWPHCCAKZOT-IRXDYDNUSA-N 2 1 279.472 2.230 20 0 CEADMP Cn1ccc([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000932134804 628974370 /nfs/dbraw/zinc/97/43/70/628974370.db2.gz DPOZOFHOSNRVBL-MRXNPFEDSA-N 2 1 290.455 2.476 20 0 CEADMP Cn1ccc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000932134804 628974372 /nfs/dbraw/zinc/97/43/72/628974372.db2.gz DPOZOFHOSNRVBL-MRXNPFEDSA-N 2 1 290.455 2.476 20 0 CEADMP Cc1ncccc1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000902513124 634698969 /nfs/dbraw/zinc/69/89/69/634698969.db2.gz KKMZOMVCBGSDBN-HNNXBMFYSA-N 2 1 259.397 2.197 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CC[C@H](OC)C2)C1 ZINC000821381351 634703805 /nfs/dbraw/zinc/70/38/05/634703805.db2.gz XBLHLDQVVJZGLE-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](OC)C2)C1 ZINC000821381351 634703809 /nfs/dbraw/zinc/70/38/09/634703809.db2.gz XBLHLDQVVJZGLE-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](OC)C2)C1 ZINC000821381351 634703816 /nfs/dbraw/zinc/70/38/16/634703816.db2.gz XBLHLDQVVJZGLE-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3COC[C@@H]3C3CC3)CC[NH2+]2)cc1 ZINC000902516550 634709949 /nfs/dbraw/zinc/70/99/49/634709949.db2.gz DJKBQLMIPBOQDE-ZJPYXAASSA-N 2 1 286.419 2.494 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000924871522 629139157 /nfs/dbraw/zinc/13/91/57/629139157.db2.gz DTWBEQBDSHYCAC-JTQLQIEISA-N 2 1 263.316 2.387 20 0 CEADMP C[C@@H]([NH2+]CCCOc1cccc(F)c1)[C@H]1CCC[NH2+]1 ZINC000902517907 634711274 /nfs/dbraw/zinc/71/12/74/634711274.db2.gz OOAHTQHATJISJZ-IUODEOHRSA-N 2 1 266.360 2.325 20 0 CEADMP C(COC1CCSCC1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000902517984 634711427 /nfs/dbraw/zinc/71/14/27/634711427.db2.gz JPPUJQBECYBTAP-AWEZNQCLSA-N 2 1 284.469 2.163 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000894196149 629202637 /nfs/dbraw/zinc/20/26/37/629202637.db2.gz SJQOHMYJNRQZFL-CYBMUJFWSA-N 2 1 276.428 2.184 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@@H](C)CC[NH+](C)C)[nH]c1C(C)C ZINC000894211913 629230293 /nfs/dbraw/zinc/23/02/93/629230293.db2.gz UVYDPNPFQUMIGB-LBPRGKRZSA-N 2 1 295.427 2.355 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000924917299 629252599 /nfs/dbraw/zinc/25/25/99/629252599.db2.gz PHIFDRJTPQCGKW-USXIJHARSA-N 2 1 292.471 2.451 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000924917299 629252602 /nfs/dbraw/zinc/25/26/02/629252602.db2.gz PHIFDRJTPQCGKW-USXIJHARSA-N 2 1 292.471 2.451 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000924952612 629289692 /nfs/dbraw/zinc/28/96/92/629289692.db2.gz NSQRSRNBAHQLNA-VXGBXAGGSA-N 2 1 274.368 2.279 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CO[C@@H](C)[C@H]2C)C1 ZINC000924961573 629299419 /nfs/dbraw/zinc/29/94/19/629299419.db2.gz WNUFDBSCFVQJJR-QPSCCSFWSA-N 2 1 254.418 2.120 20 0 CEADMP C[C@H]1CC[C@H](C)C1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000924964233 629303168 /nfs/dbraw/zinc/30/31/68/629303168.db2.gz ABWJTQLCJJFYEB-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000925009966 629349183 /nfs/dbraw/zinc/34/91/83/629349183.db2.gz JWAXFAYRWDVMQE-BBRMVZONSA-N 2 1 266.429 2.123 20 0 CEADMP c1[nH]nc(-c2cccnc2)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261972518 629406616 /nfs/dbraw/zinc/40/66/16/629406616.db2.gz IIAAXHJQGZLSGB-UHFFFAOYSA-N 2 1 297.406 2.047 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CCOC23CCCCC3)CCOCC1 ZINC000925062221 629424001 /nfs/dbraw/zinc/42/40/01/629424001.db2.gz NKSRXCJJIFICBK-HNNXBMFYSA-N 2 1 296.455 2.179 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000894457301 629471641 /nfs/dbraw/zinc/47/16/41/629471641.db2.gz XVHTXIGLBAWIMQ-ZDUSSCGKSA-N 2 1 265.376 2.349 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000894457301 629471643 /nfs/dbraw/zinc/47/16/43/629471643.db2.gz XVHTXIGLBAWIMQ-ZDUSSCGKSA-N 2 1 265.376 2.349 20 0 CEADMP COc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)o1 ZINC000894807066 629651961 /nfs/dbraw/zinc/65/19/61/629651961.db2.gz PAMMBYSSXBBQEV-UHFFFAOYSA-N 2 1 252.358 2.252 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795901434 629705177 /nfs/dbraw/zinc/70/51/77/629705177.db2.gz FNKBLVVSRFFHLI-MRXNPFEDSA-N 2 1 296.455 2.241 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795918188 629712046 /nfs/dbraw/zinc/71/20/46/629712046.db2.gz XBYHYGFFGRLVNF-MRXNPFEDSA-N 2 1 296.455 2.241 20 0 CEADMP CO[C@@](C)([C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000894903415 629744048 /nfs/dbraw/zinc/74/40/48/629744048.db2.gz KODUNUAJSGMZMU-JERHXWKDSA-N 2 1 266.429 2.405 20 0 CEADMP COC(=O)c1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cs1 ZINC000894984895 629784697 /nfs/dbraw/zinc/78/46/97/629784697.db2.gz NEGYCQOMTYNSGL-GFCCVEGCSA-N 2 1 296.436 2.356 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000909439533 629864974 /nfs/dbraw/zinc/86/49/74/629864974.db2.gz PUNQGAJQNAOORK-HNNXBMFYSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)[NH+]1CCCCC1 ZINC000796699949 629971808 /nfs/dbraw/zinc/97/18/08/629971808.db2.gz BWVFFXHWTZWTSU-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)N1CCCCC1 ZINC000796699949 629971814 /nfs/dbraw/zinc/97/18/14/629971814.db2.gz BWVFFXHWTZWTSU-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)N1CCCCC1 ZINC000796699949 629971823 /nfs/dbraw/zinc/97/18/23/629971823.db2.gz BWVFFXHWTZWTSU-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)[NH+]1CCCCC1 ZINC000796699955 629972043 /nfs/dbraw/zinc/97/20/43/629972043.db2.gz BWVFFXHWTZWTSU-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)N1CCCCC1 ZINC000796699955 629972045 /nfs/dbraw/zinc/97/20/45/629972045.db2.gz BWVFFXHWTZWTSU-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)N1CCCCC1 ZINC000796699955 629972065 /nfs/dbraw/zinc/97/20/65/629972065.db2.gz BWVFFXHWTZWTSU-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP CCc1cc(N2CC[C@H](CC[NH+](C)C)C2)nc(C)[nH+]1 ZINC000895328615 630114321 /nfs/dbraw/zinc/11/43/21/630114321.db2.gz GSETVRBNBLVIKQ-ZDUSSCGKSA-N 2 1 262.401 2.125 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1COc2ccccc2C1 ZINC000902727899 634796777 /nfs/dbraw/zinc/79/67/77/634796777.db2.gz GENJQOKNILJRPD-HIFRSBDPSA-N 2 1 274.408 2.310 20 0 CEADMP Cn1cc(CNC[C@@H]2CCCC[N@@H+](C)C2)c(C2CC2)n1 ZINC000895587312 630262063 /nfs/dbraw/zinc/26/20/63/630262063.db2.gz OKDGNBVGBRHETB-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C2CC2)n1 ZINC000895587312 630262065 /nfs/dbraw/zinc/26/20/65/630262065.db2.gz OKDGNBVGBRHETB-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C2CC2)n1 ZINC000895587312 630262067 /nfs/dbraw/zinc/26/20/67/630262067.db2.gz OKDGNBVGBRHETB-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP COc1ccc2[nH+]ccc(N[C@H]3CC[N@@H+](C)[C@H]3C)c2c1 ZINC000895734165 630325004 /nfs/dbraw/zinc/32/50/04/630325004.db2.gz JDBURZKEYOBKHP-FZMZJTMJSA-N 2 1 271.364 2.170 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000896340886 630537410 /nfs/dbraw/zinc/53/74/10/630537410.db2.gz MRKJRQYUQDBOFO-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000896340886 630537413 /nfs/dbraw/zinc/53/74/13/630537413.db2.gz MRKJRQYUQDBOFO-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000896340886 630537415 /nfs/dbraw/zinc/53/74/15/630537415.db2.gz MRKJRQYUQDBOFO-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+](C)CC[C@H](NCCC[C@H]1CCO1)c1cccnc1 ZINC000896717643 630648876 /nfs/dbraw/zinc/64/88/76/630648876.db2.gz UNLIMNFELOGMBA-HOTGVXAUSA-N 2 1 277.412 2.233 20 0 CEADMP C[C@@H]1C[N@H+](Cc2c(Cl)nc(Cl)n2C)C[C@H]1CC[NH3+] ZINC000903977792 635395272 /nfs/dbraw/zinc/39/52/72/635395272.db2.gz ZLAFLHJSVPUJJP-RKDXNWHRSA-N 2 1 291.226 2.144 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c(Cl)nc(Cl)n2C)C[C@H]1CC[NH3+] ZINC000903977792 635395275 /nfs/dbraw/zinc/39/52/75/635395275.db2.gz ZLAFLHJSVPUJJP-RKDXNWHRSA-N 2 1 291.226 2.144 20 0 CEADMP CCO[C@@H](C[NH2+]C[C@@H](OC)C1CCCCC1)C[NH+](C)C ZINC000896878637 630698770 /nfs/dbraw/zinc/69/87/70/630698770.db2.gz SCXCOESVGFSONF-JKSUJKDBSA-N 2 1 286.460 2.138 20 0 CEADMP CCn1nccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957072 630956638 /nfs/dbraw/zinc/95/66/38/630956638.db2.gz LNWLAFSMJZZMOW-UHFFFAOYSA-N 2 1 276.428 2.211 20 0 CEADMP CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000985425355 631065599 /nfs/dbraw/zinc/06/55/99/631065599.db2.gz GSWGGSWWHSVOCF-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000985425355 631065606 /nfs/dbraw/zinc/06/56/06/631065606.db2.gz GSWGGSWWHSVOCF-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000985425355 631065607 /nfs/dbraw/zinc/06/56/07/631065607.db2.gz GSWGGSWWHSVOCF-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP OCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000799728377 631072005 /nfs/dbraw/zinc/07/20/05/631072005.db2.gz BJTCZLJEVSYEQZ-KSZLIROESA-N 2 1 288.435 2.197 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](COc3ccccc3)C2)C1 ZINC000904333420 635577728 /nfs/dbraw/zinc/57/77/28/635577728.db2.gz YTRCZOXKOMIUQC-SOUVJXGZSA-N 2 1 260.381 2.125 20 0 CEADMP COC(=O)c1ccccc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000897310703 631079393 /nfs/dbraw/zinc/07/93/93/631079393.db2.gz CPHURYTVAMKFKW-HIFRSBDPSA-N 2 1 290.407 2.088 20 0 CEADMP C[C@H](CSC(C)(C)C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305125835 631109346 /nfs/dbraw/zinc/10/93/46/631109346.db2.gz LBKMAQUMPRRITK-CYBMUJFWSA-N 2 1 288.501 2.343 20 0 CEADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000909605667 631126838 /nfs/dbraw/zinc/12/68/38/631126838.db2.gz ITRAKUQPCGIYJS-INIZCTEOSA-N 2 1 289.423 2.479 20 0 CEADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000909605667 631126840 /nfs/dbraw/zinc/12/68/40/631126840.db2.gz ITRAKUQPCGIYJS-INIZCTEOSA-N 2 1 289.423 2.479 20 0 CEADMP CC[N@H+](Cc1ccc(OC)cc1OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904337432 635563235 /nfs/dbraw/zinc/56/32/35/635563235.db2.gz YUAKRUWQZIPVBH-XBXGTLAGSA-N 2 1 278.396 2.263 20 0 CEADMP CC1(C)CCN(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000840000542 631559091 /nfs/dbraw/zinc/55/90/91/631559091.db2.gz QQXQTZJDSWDWMW-UHFFFAOYSA-N 2 1 293.455 2.010 20 0 CEADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421360 635632583 /nfs/dbraw/zinc/63/25/83/635632583.db2.gz ZPZOQVPJKVVDBR-LSDHHAIUSA-N 2 1 282.391 2.118 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)OCCC[NH+]1CCCC1 ZINC000803858633 631619443 /nfs/dbraw/zinc/61/94/43/631619443.db2.gz IHENBYMHZHDJTH-OAHLLOKOSA-N 2 1 282.428 2.280 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NC(CC)CC)C1 ZINC000864457420 631668002 /nfs/dbraw/zinc/66/80/02/631668002.db2.gz SMVAIYVMCFDNML-LBPRGKRZSA-N 2 1 254.422 2.021 20 0 CEADMP C[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000806539351 631751253 /nfs/dbraw/zinc/75/12/53/631751253.db2.gz AOAOPCUKZNDUON-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)nc3ccccn32)[C@H](C)C1 ZINC000898274895 632142951 /nfs/dbraw/zinc/14/29/51/632142951.db2.gz WZVQXACPXRCHIF-UKRRQHHQSA-N 2 1 286.423 2.463 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)nc3ccccn32)[C@H](C)C1 ZINC000898274895 632142955 /nfs/dbraw/zinc/14/29/55/632142955.db2.gz WZVQXACPXRCHIF-UKRRQHHQSA-N 2 1 286.423 2.463 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)cn1 ZINC000924725837 632469877 /nfs/dbraw/zinc/46/98/77/632469877.db2.gz ZMMXEKYSWPRJDJ-SLEUVZQESA-N 2 1 286.379 2.089 20 0 CEADMP C[C@@H](NC(=[NH2+])NCC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000899266744 632765828 /nfs/dbraw/zinc/76/58/28/632765828.db2.gz XBERVRNFJRNABS-GFCCVEGCSA-N 2 1 266.433 2.163 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CCCC[NH3+])cn1 ZINC000817888324 633751600 /nfs/dbraw/zinc/75/16/00/633751600.db2.gz DWHHJDOZXUACQG-CYBMUJFWSA-N 3 1 287.411 2.183 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000817891050 633752671 /nfs/dbraw/zinc/75/26/71/633752671.db2.gz FCXQCSSCTGPITN-VXGBXAGGSA-N 2 1 253.777 2.485 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)[C@H]1CCC[NH2+]1 ZINC000817936377 633783565 /nfs/dbraw/zinc/78/35/65/633783565.db2.gz JWVPHRKXUHHQHB-OPRDCNLKSA-N 2 1 251.201 2.300 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCOc1ccccc1F ZINC000817899406 633760836 /nfs/dbraw/zinc/76/08/36/633760836.db2.gz OHKPAYJMQHKIME-TZMCWYRMSA-N 2 1 266.360 2.182 20 0 CEADMP C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1c[nH+]ccc1N ZINC000817912364 633769990 /nfs/dbraw/zinc/76/99/90/633769990.db2.gz GNTLTCBKJFUADR-HZMBPMFUSA-N 2 1 277.393 2.114 20 0 CEADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000817911987 633770025 /nfs/dbraw/zinc/77/00/25/633770025.db2.gz DAGDVWPEPOHVKM-WCXIOVBPSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000817911987 633770029 /nfs/dbraw/zinc/77/00/29/633770029.db2.gz DAGDVWPEPOHVKM-WCXIOVBPSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@](O)(C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccccc1Cl ZINC000817923247 633779428 /nfs/dbraw/zinc/77/94/28/633779428.db2.gz VDVIDOVKFAQYJQ-IHRRRGAJSA-N 2 1 268.788 2.017 20 0 CEADMP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900585956 633782136 /nfs/dbraw/zinc/78/21/36/633782136.db2.gz DWFZHADTFHQQEM-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCc1ccc([C@@H](O)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000817928715 633783897 /nfs/dbraw/zinc/78/38/97/633783897.db2.gz FCIAAELZESDJIM-SJCJKPOMSA-N 2 1 285.391 2.441 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000817933195 633786930 /nfs/dbraw/zinc/78/69/30/633786930.db2.gz ZWRVRPVONHFNTK-CXAGYDPISA-N 2 1 285.391 2.495 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000817940922 633790192 /nfs/dbraw/zinc/79/01/92/633790192.db2.gz PEMOIHBSQISQBD-SECBINFHSA-N 2 1 272.190 2.104 20 0 CEADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900688362 633809085 /nfs/dbraw/zinc/80/90/85/633809085.db2.gz HNJFQMGEIJVUQW-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP COC[C@@]1(C[NH2+][C@H](C)CSC(C)(C)C)CCC[NH2+]1 ZINC000817974728 633818490 /nfs/dbraw/zinc/81/84/90/633818490.db2.gz OEAPFFISSOJVSK-OCCSQVGLSA-N 2 1 274.474 2.265 20 0 CEADMP Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000818972534 634022981 /nfs/dbraw/zinc/02/29/81/634022981.db2.gz JXZDARNYWRFGDJ-YOEHRIQHSA-N 2 1 274.408 2.102 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000818973125 634023013 /nfs/dbraw/zinc/02/30/13/634023013.db2.gz RTYPTVOPNMGNPG-PBHICJAKSA-N 2 1 274.408 2.102 20 0 CEADMP CCCn1cc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)nn1 ZINC000902791835 634835427 /nfs/dbraw/zinc/83/54/27/634835427.db2.gz YBKXWYQAPDHMFL-QWHCGFSZSA-N 2 1 290.415 2.180 20 0 CEADMP CCO[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000902973618 634925003 /nfs/dbraw/zinc/92/50/03/634925003.db2.gz VGRZMMGJIYIDAF-GVDBMIGSSA-N 2 1 298.471 2.425 20 0 CEADMP CCO[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000902973618 634925007 /nfs/dbraw/zinc/92/50/07/634925007.db2.gz VGRZMMGJIYIDAF-GVDBMIGSSA-N 2 1 298.471 2.425 20 0 CEADMP CO[C@@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000903099683 634968772 /nfs/dbraw/zinc/96/87/72/634968772.db2.gz LJIJQJMCPKZUHA-UONOGXRCSA-N 2 1 251.374 2.129 20 0 CEADMP O[C@H]1Cc2ccccc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903109078 634973628 /nfs/dbraw/zinc/97/36/28/634973628.db2.gz CYELNRNFSCFQDM-MHJLWQLXSA-N 2 1 298.430 2.392 20 0 CEADMP O[C@H]1Cc2ccccc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903109078 634973632 /nfs/dbraw/zinc/97/36/32/634973632.db2.gz CYELNRNFSCFQDM-MHJLWQLXSA-N 2 1 298.430 2.392 20 0 CEADMP c1[nH]nc2c1CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)C2 ZINC000903113175 634977789 /nfs/dbraw/zinc/97/77/89/634977789.db2.gz SLOOVCKOAKCMII-WPXLMEDKSA-N 2 1 286.423 2.014 20 0 CEADMP C1=CO[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903152789 634990784 /nfs/dbraw/zinc/99/07/84/634990784.db2.gz IGFUVCKVMPNXHT-YPAMNDHTSA-N 2 1 262.397 2.427 20 0 CEADMP C[C@@H]1CSC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903170102 635004224 /nfs/dbraw/zinc/00/42/24/635004224.db2.gz FTGDBGMMAIVRNC-CBTVIJGOSA-N 2 1 266.454 2.485 20 0 CEADMP c1cc2n(n1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903211397 635017492 /nfs/dbraw/zinc/01/74/92/635017492.db2.gz BYZVUCVCBKKXIW-YPAMNDHTSA-N 2 1 286.423 2.465 20 0 CEADMP c1cc2n(n1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903211397 635017496 /nfs/dbraw/zinc/01/74/96/635017496.db2.gz BYZVUCVCBKKXIW-YPAMNDHTSA-N 2 1 286.423 2.465 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000903354542 635082490 /nfs/dbraw/zinc/08/24/90/635082490.db2.gz AFDOFUWIXRVLQK-PEUVFPKISA-N 2 1 266.429 2.264 20 0 CEADMP Cc1ccccc1OCC[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903430188 635113493 /nfs/dbraw/zinc/11/34/93/635113493.db2.gz QHZDMNYCTFIXNX-CABCVRRESA-N 2 1 262.397 2.161 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1CCCCO1 ZINC000903435729 635116525 /nfs/dbraw/zinc/11/65/25/635116525.db2.gz XDOQIZNVYAFJGD-ILXRZTDVSA-N 2 1 254.418 2.395 20 0 CEADMP Fc1ccc(C[C@H]2CC[N@H+](C[C@H]3CCC[NH2+]3)C2)cc1 ZINC000903437791 635117976 /nfs/dbraw/zinc/11/79/76/635117976.db2.gz MBZSWSICECDPKU-GDBMZVCRSA-N 2 1 262.372 2.442 20 0 CEADMP Fc1ccc(C[C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]3)C2)cc1 ZINC000903437791 635117980 /nfs/dbraw/zinc/11/79/80/635117980.db2.gz MBZSWSICECDPKU-GDBMZVCRSA-N 2 1 262.372 2.442 20 0 CEADMP CCC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000903439496 635118734 /nfs/dbraw/zinc/11/87/34/635118734.db2.gz INEHQPAQJXXSAN-CWVYHPPDSA-N 2 1 280.456 2.367 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903424911 635124043 /nfs/dbraw/zinc/12/40/43/635124043.db2.gz LAGFHXHTYVCVLW-YYHQMBLXSA-N 2 1 258.356 2.337 20 0 CEADMP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903464485 635125833 /nfs/dbraw/zinc/12/58/33/635125833.db2.gz PHDAAWWZJGXPKI-FKJOKYEKSA-N 2 1 256.340 2.391 20 0 CEADMP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903464485 635125835 /nfs/dbraw/zinc/12/58/35/635125835.db2.gz PHDAAWWZJGXPKI-FKJOKYEKSA-N 2 1 256.340 2.391 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)C1 ZINC000903460999 635125857 /nfs/dbraw/zinc/12/58/57/635125857.db2.gz LJOAVQLQYMBJSF-YJNKXOJESA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000903444994 635130867 /nfs/dbraw/zinc/13/08/67/635130867.db2.gz WARSHQVXJPZQLY-YCPHGPKFSA-N 2 1 273.424 2.182 20 0 CEADMP CCSc1ccccc1C[N@@H+](C)CCOCC[NH2+]C ZINC000903474185 635144096 /nfs/dbraw/zinc/14/40/96/635144096.db2.gz HXUNXUFNXSPIFC-UHFFFAOYSA-N 2 1 282.453 2.466 20 0 CEADMP FC(F)C(F)(F)COCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903483960 635150660 /nfs/dbraw/zinc/15/06/60/635150660.db2.gz MZKQZGMSOCUDGY-JTQLQIEISA-N 2 1 298.324 2.168 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1C ZINC000903499325 635153959 /nfs/dbraw/zinc/15/39/59/635153959.db2.gz RCTMZFUNWHVYJT-UKRRQHHQSA-N 2 1 290.407 2.198 20 0 CEADMP FC1(F)C[C@@]2(CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)C1(F)F ZINC000903490655 635156074 /nfs/dbraw/zinc/15/60/74/635156074.db2.gz BUORPXWNUSDFHK-WDEREUQCSA-N 2 1 280.309 2.352 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000903490776 635156537 /nfs/dbraw/zinc/15/65/37/635156537.db2.gz HQNCISBTRNIZQV-YQFWSFKMSA-N 2 1 256.393 2.115 20 0 CEADMP Cc1nc([C@@H]2CC[N@@H+](CCCCCCC[NH3+])C2)no1 ZINC000903491035 635156598 /nfs/dbraw/zinc/15/65/98/635156598.db2.gz RYHGWFLCRPOXLF-CYBMUJFWSA-N 2 1 266.389 2.077 20 0 CEADMP CC(C)c1noc([C@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903497436 635157396 /nfs/dbraw/zinc/15/73/96/635157396.db2.gz XBMXJLWTKPTNSX-GRYCIOLGSA-N 2 1 266.389 2.171 20 0 CEADMP Cn1ccc([C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000903563442 635163178 /nfs/dbraw/zinc/16/31/78/635163178.db2.gz CQWZVQYUHBBHTM-MRXNPFEDSA-N 2 1 290.455 2.379 20 0 CEADMP CC[N@H+](Cc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717706 635232385 /nfs/dbraw/zinc/23/23/85/635232385.db2.gz SZLOMCOQDVYDLV-DLBZAZTESA-N 2 1 274.408 2.277 20 0 CEADMP c1ccc2c(c1)CC[N@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903717284 635232499 /nfs/dbraw/zinc/23/24/99/635232499.db2.gz MKHGJPUADOOVFQ-QGZVFWFLSA-N 2 1 286.419 2.203 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)Cc2ccccc21 ZINC000903718232 635233969 /nfs/dbraw/zinc/23/39/69/635233969.db2.gz JAJJDXNFHKFZKE-KYJSFNMBSA-N 2 1 286.419 2.374 20 0 CEADMP C[C@H](C1CC1)[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903722216 635235894 /nfs/dbraw/zinc/23/58/94/635235894.db2.gz IXAYFWGBYTUYCX-WQVCFCJDSA-N 2 1 264.413 2.018 20 0 CEADMP C[N@@H+](CCc1ccc(F)cc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723011 635236094 /nfs/dbraw/zinc/23/60/94/635236094.db2.gz RYRLPOGTHLXMDH-IAGOWNOFSA-N 2 1 292.398 2.069 20 0 CEADMP CC(C)[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCCC1 ZINC000903723215 635236120 /nfs/dbraw/zinc/23/61/20/635236120.db2.gz FURIIQZHZDJTPW-HZPDHXFCSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC[C@@H]1[NH3+] ZINC000903715954 635245471 /nfs/dbraw/zinc/24/54/71/635245471.db2.gz CPZXBCQMMNVYFN-NOOOWODRSA-N 2 1 280.334 2.156 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC[C@@H]1[NH3+] ZINC000903715954 635245474 /nfs/dbraw/zinc/24/54/74/635245474.db2.gz CPZXBCQMMNVYFN-NOOOWODRSA-N 2 1 280.334 2.156 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC[C@@H]1[NH3+] ZINC000903715955 635245641 /nfs/dbraw/zinc/24/56/41/635245641.db2.gz CPZXBCQMMNVYFN-RHYQMDGZSA-N 2 1 280.334 2.156 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC[C@@H]1[NH3+] ZINC000903715955 635245645 /nfs/dbraw/zinc/24/56/45/635245645.db2.gz CPZXBCQMMNVYFN-RHYQMDGZSA-N 2 1 280.334 2.156 20 0 CEADMP C[N@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@@H](CN)C1CC1 ZINC000903749401 635248078 /nfs/dbraw/zinc/24/80/78/635248078.db2.gz KQGIAPUNYGXMKF-SRVKXCTJSA-N 2 1 280.334 2.156 20 0 CEADMP C[N@@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@@H](CN)C1CC1 ZINC000903749401 635248081 /nfs/dbraw/zinc/24/80/81/635248081.db2.gz KQGIAPUNYGXMKF-SRVKXCTJSA-N 2 1 280.334 2.156 20 0 CEADMP C[N@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@@H](C[NH3+])C1CC1 ZINC000903749401 635248085 /nfs/dbraw/zinc/24/80/85/635248085.db2.gz KQGIAPUNYGXMKF-SRVKXCTJSA-N 2 1 280.334 2.156 20 0 CEADMP C[N@@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@@H](C[NH3+])C1CC1 ZINC000903749401 635248088 /nfs/dbraw/zinc/24/80/88/635248088.db2.gz KQGIAPUNYGXMKF-SRVKXCTJSA-N 2 1 280.334 2.156 20 0 CEADMP [NH3+]C[C@@H]([NH2+]CCOC1CCSCC1)C1CCCCC1 ZINC000903751628 635249495 /nfs/dbraw/zinc/24/94/95/635249495.db2.gz HVUXOHYLNFEJTM-OAHLLOKOSA-N 2 1 286.485 2.396 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903735443 635251751 /nfs/dbraw/zinc/25/17/51/635251751.db2.gz ACKWUXUKZGPZFX-KRWDZBQOSA-N 3 1 281.488 2.428 20 0 CEADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000903763032 635257667 /nfs/dbraw/zinc/25/76/67/635257667.db2.gz HDCUKQSWCSFNOE-VGWMRTNUSA-N 2 1 264.413 2.020 20 0 CEADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903764953 635258166 /nfs/dbraw/zinc/25/81/66/635258166.db2.gz CKNVMBIEKAHTNB-WTXIUTQJSA-N 2 1 278.440 2.408 20 0 CEADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000903766429 635258469 /nfs/dbraw/zinc/25/84/69/635258469.db2.gz QIWFNIIVHMTHBU-IKGGRYGDSA-N 2 1 278.440 2.267 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903766893 635258789 /nfs/dbraw/zinc/25/87/89/635258789.db2.gz CMVFAJTVWGTIMA-DDHJBXDOSA-N 2 1 280.334 2.298 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903766893 635258794 /nfs/dbraw/zinc/25/87/94/635258794.db2.gz CMVFAJTVWGTIMA-DDHJBXDOSA-N 2 1 280.334 2.298 20 0 CEADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903769359 635259274 /nfs/dbraw/zinc/25/92/74/635259274.db2.gz DLJLJSZJGOZXHJ-XJFOESAGSA-N 2 1 286.366 2.017 20 0 CEADMP C[C@H]1CC(F)(F)CC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903769371 635259525 /nfs/dbraw/zinc/25/95/25/635259525.db2.gz DXAJJWZIGPINMI-QWHCGFSZSA-N 2 1 288.382 2.265 20 0 CEADMP CC[N@@H+](CCc1nccs1)C[C@H]1CCCC[NH2+]C1 ZINC000903755129 635260665 /nfs/dbraw/zinc/26/06/65/635260665.db2.gz BDIYNVLOOSFRKL-ZDUSSCGKSA-N 2 1 267.442 2.397 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903758174 635262108 /nfs/dbraw/zinc/26/21/08/635262108.db2.gz JCRDSDYWIYNJFV-RDJZCZTQSA-N 2 1 296.455 2.287 20 0 CEADMP [NH3+][C@H]1CCCCC[N@H+](CCOC2CCSCC2)C1 ZINC000903775083 635264443 /nfs/dbraw/zinc/26/44/43/635264443.db2.gz HNHORIXQFAHCNW-ZDUSSCGKSA-N 2 1 272.458 2.102 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](CCOC2CCSCC2)C1 ZINC000903775083 635264447 /nfs/dbraw/zinc/26/44/47/635264447.db2.gz HNHORIXQFAHCNW-ZDUSSCGKSA-N 2 1 272.458 2.102 20 0 CEADMP C[C@@H]1C[C@H](C)CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903786849 635269978 /nfs/dbraw/zinc/26/99/78/635269978.db2.gz PIQKDEDZGOMRAW-FPCVCCKLSA-N 2 1 266.429 2.123 20 0 CEADMP FC(F)(F)[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000903788351 635271492 /nfs/dbraw/zinc/27/14/92/635271492.db2.gz IYOGSQJIVDUUIR-LOWDOPEQSA-N 2 1 292.345 2.028 20 0 CEADMP FC(F)(F)[C@@H]1CCC[C@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000903788351 635271499 /nfs/dbraw/zinc/27/14/99/635271499.db2.gz IYOGSQJIVDUUIR-LOWDOPEQSA-N 2 1 292.345 2.028 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H]2CC[C@]21CN)C1CCC1 ZINC000903798885 635275836 /nfs/dbraw/zinc/27/58/36/635275836.db2.gz BDUSUSYAYBKUHI-KFWWJZLASA-N 2 1 252.402 2.005 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+])C1CCC1 ZINC000903798885 635275844 /nfs/dbraw/zinc/27/58/44/635275844.db2.gz BDUSUSYAYBKUHI-KFWWJZLASA-N 2 1 252.402 2.005 20 0 CEADMP NC[C@]12CC[C@H]1CCC[N@@H+]2C[C@@H]1CCC2(CCC2)O1 ZINC000903802038 635278533 /nfs/dbraw/zinc/27/85/33/635278533.db2.gz QPYIHWYSJQLPKY-IJEWVQPXSA-N 2 1 264.413 2.291 20 0 CEADMP NC[C@]12CC[C@H]1CCC[N@H+]2C[C@@H]1CCC2(CCC2)O1 ZINC000903802038 635278537 /nfs/dbraw/zinc/27/85/37/635278537.db2.gz QPYIHWYSJQLPKY-IJEWVQPXSA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2C[C@@H]1CCC2(CCC2)O1 ZINC000903802038 635278540 /nfs/dbraw/zinc/27/85/40/635278540.db2.gz QPYIHWYSJQLPKY-IJEWVQPXSA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2C[C@@H]1CCC2(CCC2)O1 ZINC000903802038 635278541 /nfs/dbraw/zinc/27/85/41/635278541.db2.gz QPYIHWYSJQLPKY-IJEWVQPXSA-N 2 1 264.413 2.291 20 0 CEADMP CC(C)Oc1ccc(C[N@H+](C)C2(C[NH3+])CCOCC2)cc1 ZINC000903808736 635283165 /nfs/dbraw/zinc/28/31/65/635283165.db2.gz SHYFPZWWXCYDGD-UHFFFAOYSA-N 2 1 292.423 2.414 20 0 CEADMP CC(C)Oc1ccc(C[N@@H+](C)C2(C[NH3+])CCOCC2)cc1 ZINC000903808736 635283167 /nfs/dbraw/zinc/28/31/67/635283167.db2.gz SHYFPZWWXCYDGD-UHFFFAOYSA-N 2 1 292.423 2.414 20 0 CEADMP Cc1ccc(C[N@@H+](C)C2(C[NH3+])CCOCC2)c(C)c1 ZINC000903809797 635283245 /nfs/dbraw/zinc/28/32/45/635283245.db2.gz LSCSFEQLODVVPP-UHFFFAOYSA-N 2 1 262.397 2.243 20 0 CEADMP Cc1ccc(C[N@H+](C)C2(C[NH3+])CCOCC2)c(C)c1 ZINC000903809797 635283246 /nfs/dbraw/zinc/28/32/46/635283246.db2.gz LSCSFEQLODVVPP-UHFFFAOYSA-N 2 1 262.397 2.243 20 0 CEADMP Cc1nnsc1C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903811797 635286652 /nfs/dbraw/zinc/28/66/52/635286652.db2.gz NOARBTAJXJHNJH-ZDUSSCGKSA-N 2 1 280.441 2.330 20 0 CEADMP Cc1nnsc1C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903811797 635286656 /nfs/dbraw/zinc/28/66/56/635286656.db2.gz NOARBTAJXJHNJH-ZDUSSCGKSA-N 2 1 280.441 2.330 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CC[NH2+]CCC23CCOCC3)O1 ZINC000903819700 635289369 /nfs/dbraw/zinc/28/93/69/635289369.db2.gz MITWRCRNRAVYDL-OAHLLOKOSA-N 2 1 296.455 2.179 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000903824986 635292433 /nfs/dbraw/zinc/29/24/33/635292433.db2.gz WSBDXCDRJXTAAW-HOTGVXAUSA-N 2 1 284.444 2.166 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCSC[C@H]2C2CC2)C1 ZINC000903825885 635293529 /nfs/dbraw/zinc/29/35/29/635293529.db2.gz DBGFXJSUSSUOGO-YUTCNCBUSA-N 2 1 254.443 2.331 20 0 CEADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)nc1 ZINC000903831300 635295349 /nfs/dbraw/zinc/29/53/49/635295349.db2.gz HJZIEHNLVGSRPZ-WWGRRREGSA-N 2 1 275.396 2.355 20 0 CEADMP c1csc(C[C@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000903831439 635295379 /nfs/dbraw/zinc/29/53/79/635295379.db2.gz JUOQNTZJGRCZGQ-QWHCGFSZSA-N 2 1 265.426 2.007 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000903843820 635302228 /nfs/dbraw/zinc/30/22/28/635302228.db2.gz UGHDMQCIJWAJIC-UXLLHSPISA-N 2 1 282.391 2.184 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C3CC3)nn2C)[C@@H](C)C1 ZINC000823938458 635309486 /nfs/dbraw/zinc/30/94/86/635309486.db2.gz ZINGQIAAMZIAOQ-WFASDCNBSA-N 2 1 276.428 2.117 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C3CC3)nn2C)[C@@H](C)C1 ZINC000823938458 635309496 /nfs/dbraw/zinc/30/94/96/635309496.db2.gz ZINGQIAAMZIAOQ-WFASDCNBSA-N 2 1 276.428 2.117 20 0 CEADMP C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903879621 635325294 /nfs/dbraw/zinc/32/52/94/635325294.db2.gz FWNLAZMOMCDGAQ-RBSFLKMASA-N 2 1 291.443 2.213 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC3(CCCC3)C2)cnn1C ZINC000903892354 635327696 /nfs/dbraw/zinc/32/76/96/635327696.db2.gz HSLZMMIITOOBOL-HNNXBMFYSA-N 2 1 290.455 2.112 20 0 CEADMP [NH3+][C@H](CC(F)F)C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000903893416 635328698 /nfs/dbraw/zinc/32/86/98/635328698.db2.gz VADOWRGKUVACGE-UKRRQHHQSA-N 2 1 298.377 2.341 20 0 CEADMP [NH3+][C@H](CC(F)F)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000903893416 635328700 /nfs/dbraw/zinc/32/87/00/635328700.db2.gz VADOWRGKUVACGE-UKRRQHHQSA-N 2 1 298.377 2.341 20 0 CEADMP CC(C)C[C@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903893308 635329132 /nfs/dbraw/zinc/32/91/32/635329132.db2.gz UXHWHXHETJJJRQ-CABCVRRESA-N 2 1 291.443 2.071 20 0 CEADMP CC[C@@H](C)C[N@@H+](CC)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903900060 635335391 /nfs/dbraw/zinc/33/53/91/635335391.db2.gz ZKWMMSMXWDBKEU-KGLIPLIRSA-N 2 1 279.432 2.071 20 0 CEADMP CCC1CCC([N@@H+](CCO)C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903913291 635347073 /nfs/dbraw/zinc/34/70/73/635347073.db2.gz OGKVDSQNTVMTSV-CPCZMJQVSA-N 2 1 278.387 2.232 20 0 CEADMP [NH3+][C@H](C[NH2+]CCc1cccc(Cl)c1)CC(F)F ZINC000903920035 635348997 /nfs/dbraw/zinc/34/89/97/635348997.db2.gz GUCYCJBDFPCNKX-NSHDSACASA-N 2 1 262.731 2.455 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000903930340 635356935 /nfs/dbraw/zinc/35/69/35/635356935.db2.gz XOJNOMJZJISWPC-YPAMNDHTSA-N 2 1 264.413 2.018 20 0 CEADMP Fc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1F ZINC000903954535 635387997 /nfs/dbraw/zinc/38/79/97/635387997.db2.gz DRYSMEJIJDZUFD-JTQLQIEISA-N 2 1 276.277 2.299 20 0 CEADMP CC(C)CCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980104 635396231 /nfs/dbraw/zinc/39/62/31/635396231.db2.gz HLXXVCZZBGGTHW-CALCHBBNSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980104 635396233 /nfs/dbraw/zinc/39/62/33/635396233.db2.gz HLXXVCZZBGGTHW-CALCHBBNSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980104 635396235 /nfs/dbraw/zinc/39/62/35/635396235.db2.gz HLXXVCZZBGGTHW-CALCHBBNSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC000903966803 635400114 /nfs/dbraw/zinc/40/01/14/635400114.db2.gz CLNRHMHYCZRHPN-HIFRSBDPSA-N 2 1 296.418 2.276 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@H](Cc3nccs3)C2)CC[NH2+]C1 ZINC000903987606 635406898 /nfs/dbraw/zinc/40/68/98/635406898.db2.gz HRNGMNGYZBKJOK-UKRRQHHQSA-N 2 1 279.453 2.397 20 0 CEADMP C[C@H](Cc1ccncc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000824988567 635535641 /nfs/dbraw/zinc/53/56/41/635535641.db2.gz NUCVDAXIPXYTNL-OHRKKDJYSA-N 2 1 259.397 2.227 20 0 CEADMP C[N@@H+](C[C@@H](N)CCC(C)(C)C)C1CCC([NH3+])CC1 ZINC000904300963 635553621 /nfs/dbraw/zinc/55/36/21/635553621.db2.gz CNANYJMYPRFYRQ-MOKVOYLWSA-N 2 1 255.450 2.342 20 0 CEADMP CN(C[C@@H]([NH3+])CCC(C)(C)C)C1CCC([NH3+])CC1 ZINC000904300963 635553628 /nfs/dbraw/zinc/55/36/28/635553628.db2.gz CNANYJMYPRFYRQ-MOKVOYLWSA-N 2 1 255.450 2.342 20 0 CEADMP C[C@@]1(C[N@@H+](CCCO)Cc2ccccc2)CCC[NH2+]C1 ZINC000904316842 635564309 /nfs/dbraw/zinc/56/43/09/635564309.db2.gz UWLWVHMULYRMLM-QGZVFWFLSA-N 2 1 276.424 2.261 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904326764 635573680 /nfs/dbraw/zinc/57/36/80/635573680.db2.gz RXRWEDZPBCTUOZ-LSDHHAIUSA-N 2 1 269.477 2.414 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cn1 ZINC000825130960 635576333 /nfs/dbraw/zinc/57/63/33/635576333.db2.gz HPIQCKQCZYOYMS-HOTGVXAUSA-N 2 1 298.390 2.233 20 0 CEADMP CCC[N@H+](CC(=O)Nc1ccccc1C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904336336 635578663 /nfs/dbraw/zinc/57/86/63/635578663.db2.gz GNIPDPIHKRKTOI-GASCZTMLSA-N 2 1 289.423 2.383 20 0 CEADMP C[C@@]1(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000904377509 635603562 /nfs/dbraw/zinc/60/35/62/635603562.db2.gz RLYHGTGFWORUNV-IAGOWNOFSA-N 2 1 279.472 2.088 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)C1 ZINC000904385919 635608621 /nfs/dbraw/zinc/60/86/21/635608621.db2.gz JUVLBZZHEKWPKW-BMFZPTHFSA-N 2 1 266.429 2.252 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000904406907 635613869 /nfs/dbraw/zinc/61/38/69/635613869.db2.gz WRSIPXOPDHBGKC-CYBMUJFWSA-N 2 1 288.370 2.182 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000904405889 635614316 /nfs/dbraw/zinc/61/43/16/635614316.db2.gz RLYIDLKICLNNOM-ZDUSSCGKSA-N 2 1 255.365 2.406 20 0 CEADMP COCCOc1ccccc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904410165 635617223 /nfs/dbraw/zinc/61/72/23/635617223.db2.gz CNZQWYCZORBVRT-HUUCEWRRSA-N 2 1 292.423 2.129 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2C(C)(C)C)CC[C@H]1C[NH3+] ZINC000904411092 635619433 /nfs/dbraw/zinc/61/94/33/635619433.db2.gz JZLOHDPISHNJLU-OLZOCXBDSA-N 2 1 278.444 2.134 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3c2OCCCO3)CC[C@H]1C[NH3+] ZINC000904412105 635619921 /nfs/dbraw/zinc/61/99/21/635619921.db2.gz PXOFGQFCTXWZSW-KBPBESRZSA-N 2 1 290.407 2.265 20 0 CEADMP c1cc2cc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)ccc2cn1 ZINC000904420422 635631324 /nfs/dbraw/zinc/63/13/24/635631324.db2.gz OERQVFOEVUZEDE-DLBZAZTESA-N 2 1 267.376 2.276 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](Cc3nccs3)C2)CC[NH2+]1 ZINC000904469013 635646841 /nfs/dbraw/zinc/64/68/41/635646841.db2.gz HYMNDDOAUHXNDA-HZSPNIEDSA-N 2 1 279.453 2.396 20 0 CEADMP C[C@]1(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)CC[NH2+]C1 ZINC000904472727 635648455 /nfs/dbraw/zinc/64/84/55/635648455.db2.gz MQXIBTCWEFZUFF-XHSDSOJGSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2C[NH3+])CC[N@H+]1C ZINC000904656105 635688528 /nfs/dbraw/zinc/68/85/28/635688528.db2.gz UQUWEGADYMBMCI-OCCSQVGLSA-N 2 1 290.411 2.092 20 0 CEADMP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)[NH+](C)C ZINC000826665794 635806358 /nfs/dbraw/zinc/80/63/58/635806358.db2.gz BFMKPDZRVBIJQC-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@](O)(C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C(F)(F)F ZINC000905073343 635812088 /nfs/dbraw/zinc/81/20/88/635812088.db2.gz WLDJDLQQVKYXII-CHWSQXEVSA-N 2 1 296.377 2.400 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1C=CCC1 ZINC000905417422 636266435 /nfs/dbraw/zinc/26/64/35/636266435.db2.gz LWLZYDYYQULWDE-DOTOQJQBSA-N 2 1 274.408 2.035 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1C=CCC1 ZINC000905417422 636266437 /nfs/dbraw/zinc/26/64/37/636266437.db2.gz LWLZYDYYQULWDE-DOTOQJQBSA-N 2 1 274.408 2.035 20 0 CEADMP [NH3+]C1CC[NH+](CCNc2nccc3ccc(F)cc32)CC1 ZINC000905704945 636397463 /nfs/dbraw/zinc/39/74/63/636397463.db2.gz LKAAJZCGPAZSKS-UHFFFAOYSA-N 2 1 288.370 2.209 20 0 CEADMP CC(C)CC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000828011256 636485489 /nfs/dbraw/zinc/48/54/89/636485489.db2.gz AJEKZHMJCNUZSD-ZBFHGGJFSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)CC(=O)CC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000828011256 636485491 /nfs/dbraw/zinc/48/54/91/636485491.db2.gz AJEKZHMJCNUZSD-ZBFHGGJFSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@@](O)(CC)C(F)(F)F)C[C@H]1C ZINC000905936899 636533772 /nfs/dbraw/zinc/53/37/72/636533772.db2.gz ZGJFACFZNVFZNQ-AGIUHOORSA-N 2 1 296.377 2.494 20 0 CEADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000906713249 636827383 /nfs/dbraw/zinc/82/73/83/636827383.db2.gz YTPIECFVXCPDFC-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@]1(O)CCc2ccccc21 ZINC000829367124 636835578 /nfs/dbraw/zinc/83/55/78/636835578.db2.gz SHCPKXCDHNJXSC-AEFFLSMTSA-N 2 1 288.435 2.237 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@]1(O)CCc2ccccc21 ZINC000829367124 636835584 /nfs/dbraw/zinc/83/55/84/636835584.db2.gz SHCPKXCDHNJXSC-AEFFLSMTSA-N 2 1 288.435 2.237 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@]1(O)CCc2ccccc21 ZINC000829367124 636835590 /nfs/dbraw/zinc/83/55/90/636835590.db2.gz SHCPKXCDHNJXSC-AEFFLSMTSA-N 2 1 288.435 2.237 20 0 CEADMP C[C@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)CC[C@@H]1C[NH3+] ZINC000165321950 637255237 /nfs/dbraw/zinc/25/52/37/637255237.db2.gz OIUINESWCAJNPY-XJKSGUPXSA-N 2 1 274.408 2.081 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000832243145 637526267 /nfs/dbraw/zinc/52/62/67/637526267.db2.gz LQPYWFTYGWDGAC-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP O[C@H](C[NH2+][C@@H](c1cccs1)C1CC1)C[NH+]1CCCC1 ZINC000908922113 637536656 /nfs/dbraw/zinc/53/66/56/637536656.db2.gz RGNFIXZKXADULL-UKRRQHHQSA-N 2 1 280.437 2.246 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000832497705 637600315 /nfs/dbraw/zinc/60/03/15/637600315.db2.gz JOORPGYSJVYEOU-GJZGRUSLSA-N 2 1 283.460 2.003 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000909077027 637609609 /nfs/dbraw/zinc/60/96/09/637609609.db2.gz ODUNPIMJSLMFOH-MSOLQXFVSA-N 2 1 288.435 2.150 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000909077027 637609610 /nfs/dbraw/zinc/60/96/10/637609610.db2.gz ODUNPIMJSLMFOH-MSOLQXFVSA-N 2 1 288.435 2.150 20 0 CEADMP Cc1ccc(C[N@H+](C)C[C@H](O)C[NH+]2CCCC2)cc1C ZINC000832634802 637626234 /nfs/dbraw/zinc/62/62/34/637626234.db2.gz WOWFWJDGUVAHKD-KRWDZBQOSA-N 2 1 276.424 2.192 20 0 CEADMP Cc1ccc(C[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)cc1C ZINC000832634802 637626238 /nfs/dbraw/zinc/62/62/38/637626238.db2.gz WOWFWJDGUVAHKD-KRWDZBQOSA-N 2 1 276.424 2.192 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000832778511 637668091 /nfs/dbraw/zinc/66/80/91/637668091.db2.gz SXJOZMHDZDVMJA-LSDHHAIUSA-N 2 1 283.460 2.132 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(c2ccccc2)CC1 ZINC000909315233 637691220 /nfs/dbraw/zinc/69/12/20/637691220.db2.gz ZVUYENPDRKWAIG-GOSISDBHSA-N 2 1 288.435 2.323 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cnn(-c2ccccc2)n1)C1CC1 ZINC000835062736 638044590 /nfs/dbraw/zinc/04/45/90/638044590.db2.gz RCIONGSPUXKRHH-UHFFFAOYSA-N 2 1 299.422 2.231 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000911683540 638355542 /nfs/dbraw/zinc/35/55/42/638355542.db2.gz ZPEDMRDKNFOJAC-HNNXBMFYSA-N 2 1 275.396 2.217 20 0 CEADMP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000912804811 639021209 /nfs/dbraw/zinc/02/12/09/639021209.db2.gz FCPAYQDBKZGWOY-ZBFHGGJFSA-N 2 1 295.471 2.050 20 0 CEADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000876899224 650477804 /nfs/dbraw/zinc/47/78/04/650477804.db2.gz UMDPRAXCXSYEID-SGTLLEGYSA-N 2 1 276.361 2.393 20 0 CEADMP C[C@@H](C(=O)N1CCC(C)([NH+](C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000913397756 639271407 /nfs/dbraw/zinc/27/14/07/639271407.db2.gz FNUPKXHIIGXNLV-ZNMIVQPWSA-N 2 1 295.471 2.190 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]C[C@H](C)Cn1cc[nH+]c1C)OC ZINC000876916551 650485314 /nfs/dbraw/zinc/48/53/14/650485314.db2.gz UUVKGWXFYMJMAL-KCQAQPDRSA-N 2 1 267.417 2.478 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(CO)c2)c2ccccc21 ZINC000227456120 639591827 /nfs/dbraw/zinc/59/18/27/639591827.db2.gz GEGMWEXKXHWDLS-IAGOWNOFSA-N 2 1 268.360 2.413 20 0 CEADMP [NH3+]CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000841009415 639616141 /nfs/dbraw/zinc/61/61/41/639616141.db2.gz OENGOIPPQYNFND-HUUCEWRRSA-N 2 1 266.360 2.062 20 0 CEADMP CC(C)(C)NC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000228335554 639631268 /nfs/dbraw/zinc/63/12/68/639631268.db2.gz BSOBFTVESJMHLS-KGLIPLIRSA-N 2 1 275.396 2.026 20 0 CEADMP CCOc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1OC(=O)CC ZINC000841076221 639645909 /nfs/dbraw/zinc/64/59/09/639645909.db2.gz CPDLYLSJULWARJ-RYUDHWBXSA-N 2 1 294.395 2.226 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(C)c1OC(F)F ZINC000841077442 639647228 /nfs/dbraw/zinc/64/72/28/639647228.db2.gz LWYUGURJERBLSO-ITGUQSILSA-N 2 1 282.334 2.212 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccnc(Cl)c3)C[C@@H]21 ZINC000230047650 639730016 /nfs/dbraw/zinc/73/00/16/639730016.db2.gz YJOMCUOXTRQIJP-RWMBFGLXSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccnc(Cl)c3)C[C@@H]21 ZINC000230047650 639730017 /nfs/dbraw/zinc/73/00/17/639730017.db2.gz YJOMCUOXTRQIJP-RWMBFGLXSA-N 2 1 265.788 2.294 20 0 CEADMP CC(C)([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000842207281 639977607 /nfs/dbraw/zinc/97/76/07/639977607.db2.gz NDICRJFMMHMEDS-GJZGRUSLSA-N 2 1 266.429 2.408 20 0 CEADMP c1cc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)sn1 ZINC000929697008 640022453 /nfs/dbraw/zinc/02/24/53/640022453.db2.gz PTBPUWOZEJRLAJ-ZDUSSCGKSA-N 2 1 265.426 2.103 20 0 CEADMP c1cc(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)sn1 ZINC000929697008 640022456 /nfs/dbraw/zinc/02/24/56/640022456.db2.gz PTBPUWOZEJRLAJ-ZDUSSCGKSA-N 2 1 265.426 2.103 20 0 CEADMP CCCCCCNC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000842474023 640072150 /nfs/dbraw/zinc/07/21/50/640072150.db2.gz AUCPKLCCMCQVPW-CVEARBPZSA-N 2 1 295.471 2.147 20 0 CEADMP CCCCCCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000842474023 640072155 /nfs/dbraw/zinc/07/21/55/640072155.db2.gz AUCPKLCCMCQVPW-CVEARBPZSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1cccc2ncc(C[N@H+](C)C3CCC([NH3+])CC3)n21 ZINC000843055794 640258339 /nfs/dbraw/zinc/25/83/39/640258339.db2.gz OWBAPSZJZDWYLR-UHFFFAOYSA-N 2 1 272.396 2.344 20 0 CEADMP CCC[N@H+]1CCC[C@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000843136564 640299617 /nfs/dbraw/zinc/29/96/17/640299617.db2.gz YWZJWTLMKHPUBN-ZDUSSCGKSA-N 2 1 278.400 2.159 20 0 CEADMP CC[C@H]([NH3+])c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000843186633 640337750 /nfs/dbraw/zinc/33/77/50/640337750.db2.gz ADLGGWFUNIOXQW-LBPRGKRZSA-N 2 1 290.367 2.087 20 0 CEADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCCCCC[NH3+] ZINC000843344340 640395889 /nfs/dbraw/zinc/39/58/89/640395889.db2.gz WHKXFHSDBBANLL-ZBFHGGJFSA-N 2 1 263.429 2.054 20 0 CEADMP [NH3+]CCCCCCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843345821 640397673 /nfs/dbraw/zinc/39/76/73/640397673.db2.gz GBCVZXIFPDVFHT-UHFFFAOYSA-N 3 1 253.434 2.112 20 0 CEADMP [NH3+]CCCCCCC[N@H+](C1CC1)C1CCNCC1 ZINC000843345821 640397680 /nfs/dbraw/zinc/39/76/80/640397680.db2.gz GBCVZXIFPDVFHT-UHFFFAOYSA-N 2 1 253.434 2.112 20 0 CEADMP [NH3+]CCCCCCC[N@@H+](C1CC1)C1CCNCC1 ZINC000843345821 640397686 /nfs/dbraw/zinc/39/76/86/640397686.db2.gz GBCVZXIFPDVFHT-UHFFFAOYSA-N 2 1 253.434 2.112 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000843348243 640398480 /nfs/dbraw/zinc/39/84/80/640398480.db2.gz IEGDNKDOWQFFBM-GFCCVEGCSA-N 2 1 298.386 2.062 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000843348243 640398482 /nfs/dbraw/zinc/39/84/82/640398482.db2.gz IEGDNKDOWQFFBM-GFCCVEGCSA-N 2 1 298.386 2.062 20 0 CEADMP C[N@@H+](CCC(=O)NCC1CCCCC1)C1CCC([NH3+])CC1 ZINC000843354979 640401463 /nfs/dbraw/zinc/40/14/63/640401463.db2.gz HPEQTYCFHUPPSE-UHFFFAOYSA-N 2 1 295.471 2.275 20 0 CEADMP CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000843358899 640402502 /nfs/dbraw/zinc/40/25/02/640402502.db2.gz BQUCNZBZBWQWHH-PBHICJAKSA-N 2 1 294.414 2.427 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843363301 640405443 /nfs/dbraw/zinc/40/54/43/640405443.db2.gz VSFPTFCNBUPJAF-HZPDHXFCSA-N 3 1 267.461 2.360 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000843389785 640414497 /nfs/dbraw/zinc/41/44/97/640414497.db2.gz SOTWSBIHENEUTM-MRXNPFEDSA-N 2 1 290.455 2.379 20 0 CEADMP C[N@@H+](CCCc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000915364049 640551238 /nfs/dbraw/zinc/55/12/38/640551238.db2.gz ONTQZQRSDBSVTC-QGZVFWFLSA-N 2 1 276.424 2.008 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@H+]1C ZINC000877139214 650591566 /nfs/dbraw/zinc/59/15/66/650591566.db2.gz ZAOSAPRBCIYRJW-CAOSSQGBSA-N 2 1 287.407 2.170 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000844197570 640628738 /nfs/dbraw/zinc/62/87/38/640628738.db2.gz VDTKITJRTWAZGP-SQWLQELKSA-N 2 1 283.460 2.001 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993758175 640674836 /nfs/dbraw/zinc/67/48/36/640674836.db2.gz ICGFABJULYIEGS-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](O)c1ncc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000844902032 640860234 /nfs/dbraw/zinc/86/02/34/640860234.db2.gz NCGQWCSNINTPPP-GVXVVHGQSA-N 2 1 283.441 2.146 20 0 CEADMP C[C@H](O)c1ncc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000844902032 640860236 /nfs/dbraw/zinc/86/02/36/640860236.db2.gz NCGQWCSNINTPPP-GVXVVHGQSA-N 2 1 283.441 2.146 20 0 CEADMP CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000846015234 641152851 /nfs/dbraw/zinc/15/28/51/641152851.db2.gz UVARGHDWIVHVPY-WCQYABFASA-N 2 1 285.457 2.091 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCNC(=O)CCCC[NH+]1CCCC1 ZINC000920763340 641198629 /nfs/dbraw/zinc/19/86/29/641198629.db2.gz SJRCNQDEYYPDMR-INIZCTEOSA-N 2 1 295.471 2.243 20 0 CEADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CCCCCC[NH3+] ZINC000846219339 641227176 /nfs/dbraw/zinc/22/71/76/641227176.db2.gz OTTAAUJRQGZALV-CVEARBPZSA-N 2 1 283.460 2.227 20 0 CEADMP Cc1cc(C2CC[NH+](CCCCCC[NH3+])CC2)n[nH]1 ZINC000846224492 641232842 /nfs/dbraw/zinc/23/28/42/641232842.db2.gz YMONDPBDUHEGHZ-UHFFFAOYSA-N 2 1 264.417 2.417 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000846223478 641232961 /nfs/dbraw/zinc/23/29/61/641232961.db2.gz LJXGTPNHNPWYBB-WBVHZDCISA-N 3 1 279.472 2.454 20 0 CEADMP [NH3+]CCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000846223478 641232965 /nfs/dbraw/zinc/23/29/65/641232965.db2.gz LJXGTPNHNPWYBB-WBVHZDCISA-N 3 1 279.472 2.454 20 0 CEADMP [NH3+]CCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000846223478 641232971 /nfs/dbraw/zinc/23/29/71/641232971.db2.gz LJXGTPNHNPWYBB-WBVHZDCISA-N 3 1 279.472 2.454 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000846223478 641232974 /nfs/dbraw/zinc/23/29/74/641232974.db2.gz LJXGTPNHNPWYBB-WBVHZDCISA-N 2 1 279.472 2.454 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000846223478 641232977 /nfs/dbraw/zinc/23/29/77/641232977.db2.gz LJXGTPNHNPWYBB-WBVHZDCISA-N 2 1 279.472 2.454 20 0 CEADMP C[N@@H+](CCCCCCC[NH3+])CCN1CCCCC1 ZINC000846228160 641234922 /nfs/dbraw/zinc/23/49/22/641234922.db2.gz JUUFACFCJDJTHC-UHFFFAOYSA-N 2 1 255.450 2.313 20 0 CEADMP CN(CCCCCCC[NH3+])CC[NH+]1CCCCC1 ZINC000846228160 641234927 /nfs/dbraw/zinc/23/49/27/641234927.db2.gz JUUFACFCJDJTHC-UHFFFAOYSA-N 2 1 255.450 2.313 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921470338 641278633 /nfs/dbraw/zinc/27/86/33/641278633.db2.gz ATLXVOFQUGPPOP-UHFFFAOYSA-N 2 1 264.417 2.286 20 0 CEADMP CC1(C)Cc2cccc(C[N@H+]3CC[C@@H](C[NH3+])C3)c2O1 ZINC000080509995 641385320 /nfs/dbraw/zinc/38/53/20/641385320.db2.gz JHRBVSLVLDORCA-LBPRGKRZSA-N 2 1 260.381 2.181 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(CC)c1ccccc1 ZINC000846843474 641450111 /nfs/dbraw/zinc/45/01/11/641450111.db2.gz DKYVJPLRILOZLN-HZPDHXFCSA-N 2 1 264.413 2.214 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc3nonc3c2)CC1 ZINC000846874022 641463961 /nfs/dbraw/zinc/46/39/61/641463961.db2.gz GLQPNYDOPJTBKP-CYBMUJFWSA-N 2 1 274.368 2.139 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3nonc3c2)CC1 ZINC000846874022 641463963 /nfs/dbraw/zinc/46/39/63/641463963.db2.gz GLQPNYDOPJTBKP-CYBMUJFWSA-N 2 1 274.368 2.139 20 0 CEADMP C[C@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C[NH+]1CCCCC1 ZINC000925486040 641757562 /nfs/dbraw/zinc/75/75/62/641757562.db2.gz PZAFQGLVVOCYNW-WCXIOVBPSA-N 3 1 293.499 2.475 20 0 CEADMP CC(C)[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995915595 642081983 /nfs/dbraw/zinc/08/19/83/642081983.db2.gz PESOLHXUPNFNJP-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000996903142 642157883 /nfs/dbraw/zinc/15/78/83/642157883.db2.gz HKULITWGPHFMGE-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)Oc1ccc(NC(=[NH2+])NCC[NH+]2CCC2)cc1 ZINC000849014636 642230401 /nfs/dbraw/zinc/23/04/01/642230401.db2.gz GQZNNWMHGFVTDV-UHFFFAOYSA-N 2 1 276.384 2.116 20 0 CEADMP CC[C@@H](C)NC(=[NH2+])NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000849024087 642237475 /nfs/dbraw/zinc/23/74/75/642237475.db2.gz QCAXCTJRNSANLF-VXGBXAGGSA-N 2 1 254.422 2.019 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)C1CC1 ZINC000921557448 642240675 /nfs/dbraw/zinc/24/06/75/642240675.db2.gz KOOUDEJBZYKHKU-CAOSSQGBSA-N 2 1 266.429 2.121 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921580573 642248756 /nfs/dbraw/zinc/24/87/56/642248756.db2.gz BVMGWUGXHNBIPO-LBPRGKRZSA-N 2 1 289.379 2.355 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921580573 642248759 /nfs/dbraw/zinc/24/87/59/642248759.db2.gz BVMGWUGXHNBIPO-LBPRGKRZSA-N 2 1 289.379 2.355 20 0 CEADMP C[C@@H]1CCCN(C(=[NH2+])NCC[N@H+]2CCCC(C)(C)C2)C1 ZINC000849105737 642261845 /nfs/dbraw/zinc/26/18/45/642261845.db2.gz WUNZJZFIYIDSCX-CQSZACIVSA-N 2 1 280.460 2.365 20 0 CEADMP CCCC[NH+]1CCC([NH2+]Cc2cnn(CCF)c2)CC1 ZINC000921618831 642272538 /nfs/dbraw/zinc/27/25/38/642272538.db2.gz OMHKJGPZQCAQAA-UHFFFAOYSA-N 2 1 282.407 2.207 20 0 CEADMP C(NC1=[NH+]CCCCN1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000849216897 642286646 /nfs/dbraw/zinc/28/66/46/642286646.db2.gz REWFSWLBBFUPJF-OAHLLOKOSA-N 2 1 278.444 2.113 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](C(C)C)CC1 ZINC000997947755 642345962 /nfs/dbraw/zinc/34/59/62/642345962.db2.gz FBAWTBPVXHXLMO-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](C(C)C)CC1 ZINC000997947755 642345968 /nfs/dbraw/zinc/34/59/68/642345968.db2.gz FBAWTBPVXHXLMO-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCC[N@@H+](CC)CC1 ZINC000998005519 642355999 /nfs/dbraw/zinc/35/59/99/642355999.db2.gz CNSKBSJWLPSOBP-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCC[NH+](CC)CC1 ZINC000998005519 642356005 /nfs/dbraw/zinc/35/60/05/642356005.db2.gz CNSKBSJWLPSOBP-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCC[NH+](CC)CC1 ZINC000998005519 642356010 /nfs/dbraw/zinc/35/60/10/642356010.db2.gz CNSKBSJWLPSOBP-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]C(C)C)C1 ZINC000999036829 642454580 /nfs/dbraw/zinc/45/45/80/642454580.db2.gz WZTKYFZROZFLES-UYSNPLJNSA-N 2 1 295.471 2.094 20 0 CEADMP CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999974548 642524208 /nfs/dbraw/zinc/52/42/08/642524208.db2.gz PEHHFNQRBPNRQR-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccnn2CC2CC2)C1 ZINC000850172704 642604358 /nfs/dbraw/zinc/60/43/58/642604358.db2.gz CWMNCBGTHABTML-CABCVRRESA-N 2 1 276.428 2.256 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cnn(CC3CCC3)c2)CCN1C ZINC000921781152 642611678 /nfs/dbraw/zinc/61/16/78/642611678.db2.gz XEMFODNBQRMCLU-BBRMVZONSA-N 2 1 276.428 2.256 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C(C)C)CC1 ZINC001000757386 642648942 /nfs/dbraw/zinc/64/89/42/642648942.db2.gz NLKHDDNWASOTSX-INIZCTEOSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](C(C)C)CC1 ZINC001000757386 642648944 /nfs/dbraw/zinc/64/89/44/642648944.db2.gz NLKHDDNWASOTSX-INIZCTEOSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](C(C)C)CC1 ZINC001000757386 642648949 /nfs/dbraw/zinc/64/89/49/642648949.db2.gz NLKHDDNWASOTSX-INIZCTEOSA-N 2 1 293.455 2.018 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1C[NH3+] ZINC000253200544 642773404 /nfs/dbraw/zinc/77/34/04/642773404.db2.gz XCBYRGYFCHWSQD-GDBMZVCRSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1C[NH3+] ZINC000253200544 642773414 /nfs/dbraw/zinc/77/34/14/642773414.db2.gz XCBYRGYFCHWSQD-GDBMZVCRSA-N 2 1 284.407 2.289 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC001003230807 642920753 /nfs/dbraw/zinc/92/07/53/642920753.db2.gz SBPMTOUSRJDCNJ-INIZCTEOSA-N 2 1 295.471 2.096 20 0 CEADMP C(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CO[C@H]1CCCCO1 ZINC000922232955 642971621 /nfs/dbraw/zinc/97/16/21/642971621.db2.gz ZUKKGAFSNXKREV-JYJNAYRXSA-N 2 1 282.428 2.136 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH+]1CCCCC1 ZINC000109949478 642998070 /nfs/dbraw/zinc/99/80/70/642998070.db2.gz DUWPFHBQEFUQJY-UHFFFAOYSA-N 2 1 283.460 2.101 20 0 CEADMP CC[C@H](C)C[NH2+][C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922387933 643056912 /nfs/dbraw/zinc/05/69/12/643056912.db2.gz MZLJVXSZWGQNJA-CQJMVSDSSA-N 2 1 268.445 2.102 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000922694571 643212788 /nfs/dbraw/zinc/21/27/88/643212788.db2.gz KYFQTWTUWGDHRZ-NWDGAFQWSA-N 2 1 280.334 2.170 20 0 CEADMP CN(C)[C@@H](CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(F)(F)F ZINC000922750551 643239795 /nfs/dbraw/zinc/23/97/95/643239795.db2.gz AQCGDKUCIWCLFZ-RYUDHWBXSA-N 2 1 295.393 2.331 20 0 CEADMP CCO[C@@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C[NH+](C)C ZINC000922757258 643247725 /nfs/dbraw/zinc/24/77/25/643247725.db2.gz CZCMEBNZNZTLKS-YJNKXOJESA-N 2 1 256.434 2.367 20 0 CEADMP COCC[N@@H+](CC1CCCC1)CC1CC[NH+](C)CC1 ZINC000877664670 650840587 /nfs/dbraw/zinc/84/05/87/650840587.db2.gz TWUQIPFBQXJLRL-UHFFFAOYSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[C@H](C)C[NH+]1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669474 650842322 /nfs/dbraw/zinc/84/23/22/650842322.db2.gz KTAKVMKRFSANLE-ARFHVFGLSA-N 3 1 269.477 2.094 20 0 CEADMP Oc1cc(F)c(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000922976934 643492545 /nfs/dbraw/zinc/49/25/45/643492545.db2.gz SCXKYLQLNKZJGA-NEPJUHHUSA-N 2 1 296.361 2.429 20 0 CEADMP CC1(C)C[C@]1([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000852771106 643544981 /nfs/dbraw/zinc/54/49/81/643544981.db2.gz BMMAEDMELXEIJC-AEFFLSMTSA-N 2 1 288.435 2.358 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC3SCCS3)C[C@H]21 ZINC000853023074 643624753 /nfs/dbraw/zinc/62/47/53/643624753.db2.gz MOAMGKBAUYOVIM-QJPTWQEYSA-N 2 1 272.483 2.242 20 0 CEADMP O[C@@H](CCc1ccccc1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923281204 643637270 /nfs/dbraw/zinc/63/72/70/643637270.db2.gz LFXTYSDVJSHFPA-SFHVURJKSA-N 2 1 288.435 2.197 20 0 CEADMP c1ccc(C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C2CC2)cc1 ZINC000923301468 643649307 /nfs/dbraw/zinc/64/93/07/643649307.db2.gz TYFMMDXYGINUOI-MRXNPFEDSA-N 2 1 272.392 2.030 20 0 CEADMP Cc1ccc(OCC[N@H+](C)CCC[NH2+]C2CC2)cc1 ZINC000923302350 643650456 /nfs/dbraw/zinc/65/04/56/643650456.db2.gz VWAFPODBNQXHCE-UHFFFAOYSA-N 2 1 262.397 2.448 20 0 CEADMP Cc1ccc(OCC[N@@H+](C)CCC[NH2+]C2CC2)cc1 ZINC000923302350 643650459 /nfs/dbraw/zinc/65/04/59/643650459.db2.gz VWAFPODBNQXHCE-UHFFFAOYSA-N 2 1 262.397 2.448 20 0 CEADMP CC(C)C[C@H]1CCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923313920 643652916 /nfs/dbraw/zinc/65/29/16/643652916.db2.gz MRBGGRGLOBMLJY-HUUCEWRRSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccccn1 ZINC000853099269 643653882 /nfs/dbraw/zinc/65/38/82/643653882.db2.gz PMPUTXNJGORECW-DOTOQJQBSA-N 2 1 291.439 2.359 20 0 CEADMP C(C1CC1)[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCCCC1 ZINC000923312007 643658429 /nfs/dbraw/zinc/65/84/29/643658429.db2.gz GCCQVEMABNUKNV-INIZCTEOSA-N 2 1 278.440 2.410 20 0 CEADMP c1csc([C@H]2CCCC[N@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923323191 643662414 /nfs/dbraw/zinc/66/24/14/643662414.db2.gz FLMSUFSPSZIXAO-QWHCGFSZSA-N 2 1 293.436 2.049 20 0 CEADMP c1csc([C@H]2CCCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923323191 643662417 /nfs/dbraw/zinc/66/24/17/643662417.db2.gz FLMSUFSPSZIXAO-QWHCGFSZSA-N 2 1 293.436 2.049 20 0 CEADMP C[N@@H+](CCc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000923333547 643665997 /nfs/dbraw/zinc/66/59/97/643665997.db2.gz AFMRDACRDLKIEE-HNNXBMFYSA-N 2 1 250.361 2.442 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000923333117 643666118 /nfs/dbraw/zinc/66/61/18/643666118.db2.gz UGAQYKAVKUWBSM-IMSIIYSGSA-N 2 1 286.778 2.182 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000923333117 643666123 /nfs/dbraw/zinc/66/61/23/643666123.db2.gz UGAQYKAVKUWBSM-IMSIIYSGSA-N 2 1 286.778 2.182 20 0 CEADMP CC[N@@H+](C[C@H](O)Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000923334918 643667023 /nfs/dbraw/zinc/66/70/23/643667023.db2.gz HGVFTRBIZQTYBK-DLBZAZTESA-N 2 1 276.424 2.054 20 0 CEADMP CC[N@@H+](C[C@@H](O)CC1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000923335671 643668329 /nfs/dbraw/zinc/66/83/29/643668329.db2.gz OEZCFXAEAMKDLA-CVEARBPZSA-N 2 1 268.445 2.392 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000923349865 643673458 /nfs/dbraw/zinc/67/34/58/643673458.db2.gz XNQFWAKAXWVTKY-NHYWBVRUSA-N 2 1 284.350 2.059 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000923354946 643677799 /nfs/dbraw/zinc/67/77/99/643677799.db2.gz XLJITHYYHOIQSK-CABCVRRESA-N 2 1 266.360 2.062 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H](O)CCc1ccccc1 ZINC000923353612 643678331 /nfs/dbraw/zinc/67/83/31/643678331.db2.gz KIXJXHFKYGKBOS-SJORKVTESA-N 2 1 276.424 2.183 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923364299 643679525 /nfs/dbraw/zinc/67/95/25/643679525.db2.gz LZJHXAXGTUVZPJ-ZACQAIPSSA-N 2 1 280.456 2.392 20 0 CEADMP O[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000923364207 643679577 /nfs/dbraw/zinc/67/95/77/643679577.db2.gz JMAAEOZXRHCGLP-USXIJHARSA-N 2 1 292.398 2.323 20 0 CEADMP C[NH2+]CCC[N@H+](C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000923378388 643687558 /nfs/dbraw/zinc/68/75/58/643687558.db2.gz IFHIWZSZUWOVJR-CYBMUJFWSA-N 2 1 274.767 2.054 20 0 CEADMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000923378388 643687560 /nfs/dbraw/zinc/68/75/60/643687560.db2.gz IFHIWZSZUWOVJR-CYBMUJFWSA-N 2 1 274.767 2.054 20 0 CEADMP CCc1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)o1 ZINC000923392197 643691195 /nfs/dbraw/zinc/69/11/95/643691195.db2.gz IFYDVWQAPUIOKD-YUELXQCFSA-N 2 1 293.411 2.098 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H](O)c1ccc(F)c(F)c1)C2 ZINC000923387734 643692658 /nfs/dbraw/zinc/69/26/58/643692658.db2.gz KZBJVLJSAVEBGR-RCBQFDQVSA-N 2 1 296.361 2.059 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)C2 ZINC000923387734 643692662 /nfs/dbraw/zinc/69/26/62/643692662.db2.gz KZBJVLJSAVEBGR-RCBQFDQVSA-N 2 1 296.361 2.059 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000923389392 643694800 /nfs/dbraw/zinc/69/48/00/643694800.db2.gz XLLZXQQZVBCQQX-BBWFWOEESA-N 2 1 274.408 2.089 20 0 CEADMP CC(C)C[N@@H+](CCC[NH2+]C1CC1)CC1CC[NH+](C)CC1 ZINC000923413593 643701818 /nfs/dbraw/zinc/70/18/18/643701818.db2.gz GDWBJJJQFPTOBM-UHFFFAOYSA-N 3 1 281.488 2.428 20 0 CEADMP Fc1cccc(O[C@@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)c1 ZINC000923413319 643702251 /nfs/dbraw/zinc/70/22/51/643702251.db2.gz FFNCNTCSBWELTA-MRXNPFEDSA-N 2 1 278.371 2.421 20 0 CEADMP Fc1cccc(O[C@@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)c1 ZINC000923413319 643702254 /nfs/dbraw/zinc/70/22/54/643702254.db2.gz FFNCNTCSBWELTA-MRXNPFEDSA-N 2 1 278.371 2.421 20 0 CEADMP C[C@@H]1CC[C@H](CN)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000923424124 643704045 /nfs/dbraw/zinc/70/40/45/643704045.db2.gz OCRCQSHQQPKAQJ-NQMMUZQISA-N 2 1 279.472 2.355 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])N(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000923424124 643704050 /nfs/dbraw/zinc/70/40/50/643704050.db2.gz OCRCQSHQQPKAQJ-NQMMUZQISA-N 2 1 279.472 2.355 20 0 CEADMP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)C1CCCCC1 ZINC000923428924 643708338 /nfs/dbraw/zinc/70/83/38/643708338.db2.gz SPEZRMXCDNDZNE-GJZGRUSLSA-N 2 1 266.429 2.192 20 0 CEADMP CCCCCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923431350 643710257 /nfs/dbraw/zinc/71/02/57/643710257.db2.gz PLBSKWMIJCRDFD-RBSFLKMASA-N 2 1 256.434 2.234 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923478869 643731148 /nfs/dbraw/zinc/73/11/48/643731148.db2.gz IGMOORPYIIUFPP-KXBFYZLASA-N 2 1 298.430 2.414 20 0 CEADMP CC(C)(C)c1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)no1 ZINC000923481220 643731949 /nfs/dbraw/zinc/73/19/49/643731949.db2.gz NVASGHCVDJJMFK-NSHDSACASA-N 2 1 251.374 2.143 20 0 CEADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)c1C ZINC000923485546 643732855 /nfs/dbraw/zinc/73/28/55/643732855.db2.gz VNDUHVCXSCWAGT-CABCVRRESA-N 2 1 289.423 2.301 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)c1C ZINC000923485549 643733052 /nfs/dbraw/zinc/73/30/52/643733052.db2.gz VNDUHVCXSCWAGT-LSDHHAIUSA-N 2 1 289.423 2.301 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923495311 643733855 /nfs/dbraw/zinc/73/38/55/643733855.db2.gz AJOKDQFJYALJOB-IUODEOHRSA-N 2 1 275.396 2.062 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000923490486 643735539 /nfs/dbraw/zinc/73/55/39/643735539.db2.gz CYERXOZLSQJMHG-OAHLLOKOSA-N 2 1 289.423 2.099 20 0 CEADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(C)n1 ZINC000923492944 643736854 /nfs/dbraw/zinc/73/68/54/643736854.db2.gz ZQCYXNJICARIJP-DOMZBBRYSA-N 2 1 261.413 2.424 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(Cl)n1 ZINC000923494811 643738206 /nfs/dbraw/zinc/73/82/06/643738206.db2.gz OXUCQTLGLBASRJ-PWSUYJOCSA-N 2 1 267.804 2.460 20 0 CEADMP C[C@H]1C[N@H+](Cc2coc(C(C)(C)C)n2)CC[C@H]1C[NH3+] ZINC000923494658 643738265 /nfs/dbraw/zinc/73/82/65/643738265.db2.gz ZNZOTKYSMFDPHR-RYUDHWBXSA-N 2 1 265.401 2.389 20 0 CEADMP C[C@H]1C[N@@H+](Cc2coc(C(C)(C)C)n2)CC[C@H]1C[NH3+] ZINC000923494658 643738273 /nfs/dbraw/zinc/73/82/73/643738273.db2.gz ZNZOTKYSMFDPHR-RYUDHWBXSA-N 2 1 265.401 2.389 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923502719 643739399 /nfs/dbraw/zinc/73/93/99/643739399.db2.gz YNOOYYOLWDUZJF-LSDHHAIUSA-N 2 1 262.397 2.291 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nc(-c3ccsc3)no2)CC[C@H]1C[NH3+] ZINC000923498243 643741353 /nfs/dbraw/zinc/74/13/53/643741353.db2.gz GRRHEMQEVDDQGX-QWRGUYRKSA-N 2 1 292.408 2.215 20 0 CEADMP CC(=O)c1ccccc1OCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504212 643742610 /nfs/dbraw/zinc/74/26/10/643742610.db2.gz PYGYVJUHRCHRBH-UKRRQHHQSA-N 2 1 290.407 2.185 20 0 CEADMP C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)OC1CCCCCC1 ZINC000923519857 643748248 /nfs/dbraw/zinc/74/82/48/643748248.db2.gz WFPOEFJXYJIMSP-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP c1cc2c(cc1C[N@@H+]1CCOC[C@@H]1CC1CC1)C[NH2+]CC2 ZINC000923556432 643763825 /nfs/dbraw/zinc/76/38/25/643763825.db2.gz XCCQOELBIYMRDA-SFHVURJKSA-N 2 1 286.419 2.333 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCc3ccccc3F)CC[C@@H]21 ZINC000877739800 650883371 /nfs/dbraw/zinc/88/33/71/650883371.db2.gz HGTRZWHKLILSBB-HOCLYGCPSA-N 2 1 262.372 2.394 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccccc3F)CC[C@@H]21 ZINC000877739800 650883374 /nfs/dbraw/zinc/88/33/74/650883374.db2.gz HGTRZWHKLILSBB-HOCLYGCPSA-N 2 1 262.372 2.394 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccccc3F)CC[C@@H]21 ZINC000877739800 650883375 /nfs/dbraw/zinc/88/33/75/650883375.db2.gz HGTRZWHKLILSBB-HOCLYGCPSA-N 2 1 262.372 2.394 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccccc3F)CC[C@@H]21 ZINC000877739800 650883377 /nfs/dbraw/zinc/88/33/77/650883377.db2.gz HGTRZWHKLILSBB-HOCLYGCPSA-N 2 1 262.372 2.394 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229672 644017249 /nfs/dbraw/zinc/01/72/49/644017249.db2.gz UISNLFNEJZKCFJ-LPWJVIDDSA-N 2 1 274.355 2.050 20 0 CEADMP O[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000838818026 644029357 /nfs/dbraw/zinc/02/93/57/644029357.db2.gz UAWYBQPMSZKDGS-WBVHZDCISA-N 2 1 280.456 2.345 20 0 CEADMP CSC1(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CCC1 ZINC000877742693 650887370 /nfs/dbraw/zinc/88/73/70/650887370.db2.gz QQFPCNYYFZRIPS-OLZOCXBDSA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CCC1 ZINC000877742693 650887373 /nfs/dbraw/zinc/88/73/73/650887373.db2.gz QQFPCNYYFZRIPS-OLZOCXBDSA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CCC1 ZINC000877742693 650887375 /nfs/dbraw/zinc/88/73/75/650887375.db2.gz QQFPCNYYFZRIPS-OLZOCXBDSA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)CCC1 ZINC000877742693 650887378 /nfs/dbraw/zinc/88/73/78/650887378.db2.gz QQFPCNYYFZRIPS-OLZOCXBDSA-N 2 1 254.443 2.298 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CCO1 ZINC000877743878 650890379 /nfs/dbraw/zinc/89/03/79/650890379.db2.gz YTOUHQHGKWRHNN-FPCVCCKLSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CCO1 ZINC000877743878 650890382 /nfs/dbraw/zinc/89/03/82/650890382.db2.gz YTOUHQHGKWRHNN-FPCVCCKLSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CCO1 ZINC000877743878 650890385 /nfs/dbraw/zinc/89/03/85/650890385.db2.gz YTOUHQHGKWRHNN-FPCVCCKLSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)CCO1 ZINC000877743878 650890388 /nfs/dbraw/zinc/89/03/88/650890388.db2.gz YTOUHQHGKWRHNN-FPCVCCKLSA-N 2 1 266.429 2.218 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000925488538 644187280 /nfs/dbraw/zinc/18/72/80/644187280.db2.gz KLGNNARQRDRYBQ-CABCVRRESA-N 2 1 267.461 2.371 20 0 CEADMP Cc1nccnc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000857046135 644799069 /nfs/dbraw/zinc/79/90/69/644799069.db2.gz IJHJIMRLMABGKN-UHFFFAOYSA-N 2 1 284.407 2.479 20 0 CEADMP Cc1nccnc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000857046135 644799073 /nfs/dbraw/zinc/79/90/73/644799073.db2.gz IJHJIMRLMABGKN-UHFFFAOYSA-N 2 1 284.407 2.479 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CCO1 ZINC000857226359 644859773 /nfs/dbraw/zinc/85/97/73/644859773.db2.gz LLYVNCVWLZTPJX-TUVASFSCSA-N 2 1 252.402 2.005 20 0 CEADMP COc1ccc(C[NH2+]CCc2c[nH+]cn2C)c(C)c1OC ZINC000857782781 644967390 /nfs/dbraw/zinc/96/73/90/644967390.db2.gz CVESEGDNOPHYFU-UHFFFAOYSA-N 2 1 289.379 2.078 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000857867242 644989252 /nfs/dbraw/zinc/98/92/52/644989252.db2.gz XOZLXEVFYXLIAK-CYBMUJFWSA-N 2 1 262.401 2.109 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858116827 645067379 /nfs/dbraw/zinc/06/73/79/645067379.db2.gz ZNOYGFHQDDFLTH-ZDUSSCGKSA-N 2 1 251.349 2.041 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858116827 645067382 /nfs/dbraw/zinc/06/73/82/645067382.db2.gz ZNOYGFHQDDFLTH-ZDUSSCGKSA-N 2 1 251.349 2.041 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)C/C=C(\C)C(=O)OC ZINC000759739350 645070002 /nfs/dbraw/zinc/07/00/02/645070002.db2.gz AXLJBSBFBQYUEW-RIYZIHGNSA-N 2 1 293.411 2.277 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C/C=C(\C)C(=O)OC ZINC000759739350 645070005 /nfs/dbraw/zinc/07/00/05/645070005.db2.gz AXLJBSBFBQYUEW-RIYZIHGNSA-N 2 1 293.411 2.277 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000858490066 645179938 /nfs/dbraw/zinc/17/99/38/645179938.db2.gz AEUDTZMKKHSWJJ-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP ClC1(Cl)C[C@@H]1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000760956694 645216888 /nfs/dbraw/zinc/21/68/88/645216888.db2.gz VZJRRXWZODMRLS-LLVKDONJSA-N 2 1 286.206 2.397 20 0 CEADMP C[N@H+]1CCCC12CCN(C(=O)c1cccc3nccn31)CC2 ZINC000761158537 645251354 /nfs/dbraw/zinc/25/13/54/645251354.db2.gz GZDDOALFOOJVNU-UHFFFAOYSA-N 2 1 298.390 2.035 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCc2cnccn2)cc1 ZINC000761215588 645258251 /nfs/dbraw/zinc/25/82/51/645258251.db2.gz SMPJDOSUBPKYPR-UHFFFAOYSA-N 2 1 284.407 2.213 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)C[C@H]1CCC[NH+](C)C1 ZINC000878126819 651009039 /nfs/dbraw/zinc/00/90/39/651009039.db2.gz YGEBETDJWZJKLR-YHUYYLMFSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)C[C@H]1CCC[N@H+](C)C1 ZINC000878126819 651009043 /nfs/dbraw/zinc/00/90/43/651009043.db2.gz YGEBETDJWZJKLR-YHUYYLMFSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)C[C@H]1CCC[N@@H+](C)C1 ZINC000878126819 651009046 /nfs/dbraw/zinc/00/90/46/651009046.db2.gz YGEBETDJWZJKLR-YHUYYLMFSA-N 2 1 266.429 2.218 20 0 CEADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000762790044 645451219 /nfs/dbraw/zinc/45/12/19/645451219.db2.gz WOSLAROCGACVEL-PBHICJAKSA-N 2 1 292.423 2.029 20 0 CEADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC000762790044 645451224 /nfs/dbraw/zinc/45/12/24/645451224.db2.gz WOSLAROCGACVEL-PBHICJAKSA-N 2 1 292.423 2.029 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CC[C@@H](O)C(C)C)CC1 ZINC000878165214 651021243 /nfs/dbraw/zinc/02/12/43/651021243.db2.gz VMCZBRRCAUTQQM-OAHLLOKOSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000878166714 651021815 /nfs/dbraw/zinc/02/18/15/651021815.db2.gz CZZVHBDGRKUMJF-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000878166714 651021819 /nfs/dbraw/zinc/02/18/19/651021819.db2.gz CZZVHBDGRKUMJF-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000878166714 651021822 /nfs/dbraw/zinc/02/18/22/651021822.db2.gz CZZVHBDGRKUMJF-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP CCCCC[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878199611 651034526 /nfs/dbraw/zinc/03/45/26/651034526.db2.gz FDTFPWHCVBDIMH-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP COC[C@@H](CC(C)C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765975876 645829839 /nfs/dbraw/zinc/82/98/39/645829839.db2.gz MEUIOZNGZJCWOG-IAGOWNOFSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)[C@H](O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000878287113 651053309 /nfs/dbraw/zinc/05/33/09/651053309.db2.gz WUHNFDGEOTVZGB-USXIJHARSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@H](O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000878287113 651053310 /nfs/dbraw/zinc/05/33/10/651053310.db2.gz WUHNFDGEOTVZGB-USXIJHARSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@H](O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000878287113 651053312 /nfs/dbraw/zinc/05/33/12/651053312.db2.gz WUHNFDGEOTVZGB-USXIJHARSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@H](O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000878287113 651053313 /nfs/dbraw/zinc/05/33/13/651053313.db2.gz WUHNFDGEOTVZGB-USXIJHARSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)CC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000768161152 646091710 /nfs/dbraw/zinc/09/17/10/646091710.db2.gz HRQNITBWAMLCNL-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000768161152 646091712 /nfs/dbraw/zinc/09/17/12/646091712.db2.gz HRQNITBWAMLCNL-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CCc1noc(C)c1[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000769875571 646329943 /nfs/dbraw/zinc/32/99/43/646329943.db2.gz WANHWBDTTHOCDW-JTQLQIEISA-N 2 1 262.357 2.401 20 0 CEADMP Cc1c(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccnc1F ZINC000862272271 646387756 /nfs/dbraw/zinc/38/77/56/646387756.db2.gz LXVNBGOPXGOPIB-UHFFFAOYSA-N 2 1 277.387 2.493 20 0 CEADMP Cc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccnc1F ZINC000862386827 646431815 /nfs/dbraw/zinc/43/18/15/646431815.db2.gz AWARFKOWHYOKSQ-AGUYFDCRSA-N 2 1 263.360 2.244 20 0 CEADMP Cc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccnc1F ZINC000862386827 646431816 /nfs/dbraw/zinc/43/18/16/646431816.db2.gz AWARFKOWHYOKSQ-AGUYFDCRSA-N 2 1 263.360 2.244 20 0 CEADMP CC[N@H+](CCC1CC[NH+]([C@H]2CCOC2=O)CC1)CC1CC1 ZINC000771475300 646522955 /nfs/dbraw/zinc/52/29/55/646522955.db2.gz IAPOGVYHIVKCPJ-INIZCTEOSA-N 2 1 294.439 2.136 20 0 CEADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCOC2=O)CC1)CC1CC1 ZINC000771475300 646522958 /nfs/dbraw/zinc/52/29/58/646522958.db2.gz IAPOGVYHIVKCPJ-INIZCTEOSA-N 2 1 294.439 2.136 20 0 CEADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC000774214762 646820274 /nfs/dbraw/zinc/82/02/74/646820274.db2.gz UIAPOPGXWQYSNK-OHRKKDJYSA-N 2 1 259.397 2.400 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC=CO2)C[C@@H]1C ZINC000774904793 646907115 /nfs/dbraw/zinc/90/71/15/646907115.db2.gz WTXDQADWTYNPIK-KKUMJFAQSA-N 2 1 252.402 2.484 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC=CO2)C[C@@H]1C ZINC000774904793 646907116 /nfs/dbraw/zinc/90/71/16/646907116.db2.gz WTXDQADWTYNPIK-KKUMJFAQSA-N 2 1 252.402 2.484 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC=CO2)C[C@@H]1C ZINC000774904793 646907117 /nfs/dbraw/zinc/90/71/17/646907117.db2.gz WTXDQADWTYNPIK-KKUMJFAQSA-N 2 1 252.402 2.484 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000775378324 646947026 /nfs/dbraw/zinc/94/70/26/646947026.db2.gz KKDOJXAWAVHEJK-MQYQWHSLSA-N 2 1 286.510 2.297 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](CC2OCCO2)CC1)CC1CC1 ZINC000777725217 647169271 /nfs/dbraw/zinc/16/92/71/647169271.db2.gz RKENRYGLBVDYCJ-UHFFFAOYSA-N 2 1 296.455 2.193 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CCCCO)cn1 ZINC000779019897 647282040 /nfs/dbraw/zinc/28/20/40/647282040.db2.gz NUMNNPZVMLHPGQ-ZDUSSCGKSA-N 2 1 288.395 2.216 20 0 CEADMP Cn1ncc2cc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cnc21 ZINC000865434273 647291324 /nfs/dbraw/zinc/29/13/24/647291324.db2.gz CXOSARYQLKFWLM-UHFFFAOYSA-N 2 1 299.422 2.075 20 0 CEADMP CCCNc1cc(NC[C@H](C2CC2)[NH+](C)C)nc[nH+]1 ZINC000865511983 647333957 /nfs/dbraw/zinc/33/39/57/647333957.db2.gz MJCPSVNCJNQVOQ-GFCCVEGCSA-N 2 1 263.389 2.051 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc3c(cc[nH]c3=O)o2)C1 ZINC000865600287 647379190 /nfs/dbraw/zinc/37/91/90/647379190.db2.gz JAWDNUWWCQJZCG-LBPRGKRZSA-N 2 1 289.379 2.355 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865615986 647388462 /nfs/dbraw/zinc/38/84/62/647388462.db2.gz DLJOOIVMEXMTSU-UHFFFAOYSA-N 2 1 289.427 2.036 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865615986 647388467 /nfs/dbraw/zinc/38/84/67/647388467.db2.gz DLJOOIVMEXMTSU-UHFFFAOYSA-N 2 1 289.427 2.036 20 0 CEADMP C[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)CC1(C)OCCO1 ZINC000865674744 647418974 /nfs/dbraw/zinc/41/89/74/647418974.db2.gz ZCECJRHULCLCQO-CYBMUJFWSA-N 2 1 293.411 2.026 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@H](O)C1CCCC1 ZINC000865876511 647518452 /nfs/dbraw/zinc/51/84/52/647518452.db2.gz WBXQGPVOMGYSQF-INIZCTEOSA-N 2 1 277.412 2.178 20 0 CEADMP CC(C)[NH+]1CCC(CCNc2nc(N(C)C)cc[nH+]2)CC1 ZINC000866086370 647602492 /nfs/dbraw/zinc/60/24/92/647602492.db2.gz XOSVIPBXHYDNJY-UHFFFAOYSA-N 2 1 291.443 2.465 20 0 CEADMP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000866228887 647681785 /nfs/dbraw/zinc/68/17/85/647681785.db2.gz LZKVDDJWWJLGBN-GDBMZVCRSA-N 2 1 273.424 2.477 20 0 CEADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000866228891 647683299 /nfs/dbraw/zinc/68/32/99/647683299.db2.gz LZKVDDJWWJLGBN-HOCLYGCPSA-N 2 1 273.424 2.477 20 0 CEADMP C[C@@H]1CC[C@H]1[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000783216904 647695457 /nfs/dbraw/zinc/69/54/57/647695457.db2.gz VUXYSKVKEYFAFX-RBSFLKMASA-N 2 1 293.480 2.425 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561721 647825578 /nfs/dbraw/zinc/82/55/78/647825578.db2.gz KCJPNGZEQSAHRP-UKRRQHHQSA-N 2 1 254.418 2.144 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561721 647825579 /nfs/dbraw/zinc/82/55/79/647825579.db2.gz KCJPNGZEQSAHRP-UKRRQHHQSA-N 2 1 254.418 2.144 20 0 CEADMP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)nc(N)[nH+]1 ZINC000784334895 647837376 /nfs/dbraw/zinc/83/73/76/647837376.db2.gz JFHGEPGPZUBFGF-UKRRQHHQSA-N 2 1 283.379 2.225 20 0 CEADMP C[NH+]1CCC([NH2+]C2([C@@H]3CCCCO3)CCC2)CC1 ZINC000866623434 647846293 /nfs/dbraw/zinc/84/62/93/647846293.db2.gz UYGIJEMXCPWUKV-AWEZNQCLSA-N 2 1 252.402 2.162 20 0 CEADMP Cc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)nc1Cl ZINC000866660528 647859361 /nfs/dbraw/zinc/85/93/61/647859361.db2.gz GMXDUNNAKFGLMY-UHFFFAOYSA-N 2 1 297.830 2.373 20 0 CEADMP CC1(C)CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)OC1 ZINC000866668341 647862377 /nfs/dbraw/zinc/86/23/77/647862377.db2.gz DFVLYDPRYJYORE-GUTXKFCHSA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)OC1 ZINC000866668341 647862380 /nfs/dbraw/zinc/86/23/80/647862380.db2.gz DFVLYDPRYJYORE-GUTXKFCHSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703882 647876106 /nfs/dbraw/zinc/87/61/06/647876106.db2.gz PSDRTTCJPMDAEE-YOEHRIQHSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709727 647879617 /nfs/dbraw/zinc/87/96/17/647879617.db2.gz ZMVYAVVAEJUFEH-SWLSCSKDSA-N 2 1 262.401 2.235 20 0 CEADMP OCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC[NH2+]CC1 ZINC000866727381 647885435 /nfs/dbraw/zinc/88/54/35/647885435.db2.gz LSDCJCGRGPGFPI-MQVJKMGUSA-N 2 1 266.429 2.002 20 0 CEADMP CC1(C)CC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000793544641 648774356 /nfs/dbraw/zinc/77/43/56/648774356.db2.gz YUYSVDWBTHRIGI-GJZGRUSLSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871358832 649070539 /nfs/dbraw/zinc/07/05/39/649070539.db2.gz IQMJXHNRAZVGQK-KWOWKCNFSA-N 2 1 295.471 2.238 20 0 CEADMP CO[C@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)CC(C)C ZINC000871784800 649184137 /nfs/dbraw/zinc/18/41/37/649184137.db2.gz MAXMRUTVIBEBBE-DKUMPPAJSA-N 2 1 297.443 2.419 20 0 CEADMP CO[C@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(C)C ZINC000871784800 649184139 /nfs/dbraw/zinc/18/41/39/649184139.db2.gz MAXMRUTVIBEBBE-DKUMPPAJSA-N 2 1 297.443 2.419 20 0 CEADMP [NH3+][C@@H](Cc1ccccc1)c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871792659 649188810 /nfs/dbraw/zinc/18/88/10/649188810.db2.gz IYLRGFMSVHSNQW-DKUMPPAJSA-N 2 1 298.390 2.310 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)[C@H]2CCC[C@@H]21 ZINC000872108822 649280193 /nfs/dbraw/zinc/28/01/93/649280193.db2.gz XUHXFHVKSJUQDH-WBAHDQRJSA-N 2 1 278.440 2.406 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC1 ZINC000872123781 649284356 /nfs/dbraw/zinc/28/43/56/649284356.db2.gz VLCQFMFLFPJZIQ-UHFFFAOYSA-N 2 1 275.352 2.107 20 0 CEADMP Cc1conc1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000872142766 649292484 /nfs/dbraw/zinc/29/24/84/649292484.db2.gz CVGDFDGZGVTUSW-UHFFFAOYSA-N 2 1 251.374 2.324 20 0 CEADMP Cc1conc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000872142766 649292486 /nfs/dbraw/zinc/29/24/86/649292486.db2.gz CVGDFDGZGVTUSW-UHFFFAOYSA-N 2 1 251.374 2.324 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000872143619 649293306 /nfs/dbraw/zinc/29/33/06/649293306.db2.gz UXBBQPZDLZSLJB-JJTUDDRGSA-N 2 1 278.440 2.408 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000872153887 649297189 /nfs/dbraw/zinc/29/71/89/649297189.db2.gz JAZBADYIVHBXEW-OAHLLOKOSA-N 2 1 282.428 2.041 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000872153392 649297696 /nfs/dbraw/zinc/29/76/96/649297696.db2.gz AFILSDLFNSFLGL-MRXNPFEDSA-N 2 1 296.455 2.431 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000872154260 649298513 /nfs/dbraw/zinc/29/85/13/649298513.db2.gz PPLPLJFMTFBLMH-CQSZACIVSA-N 2 1 270.417 2.171 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(F)c3cccnc13)C2 ZINC000872154620 649298646 /nfs/dbraw/zinc/29/86/46/649298646.db2.gz ZBFVHMCYYNNZLA-SUMWQHHRSA-N 2 1 285.366 2.415 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(F)c3cccnc13)C2 ZINC000872154620 649298649 /nfs/dbraw/zinc/29/86/49/649298649.db2.gz ZBFVHMCYYNNZLA-SUMWQHHRSA-N 2 1 285.366 2.415 20 0 CEADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@H](C(F)(F)F)O1 ZINC000872154009 649298750 /nfs/dbraw/zinc/29/87/50/649298750.db2.gz LPJSJYOHMABJAB-WCQYABFASA-N 2 1 294.361 2.418 20 0 CEADMP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CCCCCC[NH3+] ZINC000872154969 649298829 /nfs/dbraw/zinc/29/88/29/649298829.db2.gz HTKNQKHNNWHALO-INIZCTEOSA-N 2 1 291.439 2.267 20 0 CEADMP c1cn2c([nH+]1)C[C@H](Nc1cc[nH+]cc1C1CC1)CC2 ZINC000872514665 649411221 /nfs/dbraw/zinc/41/12/21/649411221.db2.gz RWGUDVGMAXTMPL-GFCCVEGCSA-N 2 1 254.337 2.004 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)Nc1cc(NCc2ccccc2)[nH+]cn1 ZINC000872777398 649484545 /nfs/dbraw/zinc/48/45/45/649484545.db2.gz ZCDBYCNMVPXVGG-VXGBXAGGSA-N 2 1 271.368 2.236 20 0 CEADMP CC(C)[C@@H]1CN(C)CC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873209214 649590673 /nfs/dbraw/zinc/59/06/73/649590673.db2.gz ILJJUQXHLHBTOW-HNNXBMFYSA-N 2 1 293.480 2.166 20 0 CEADMP CC(C)[C@@H]1C[N@H+](C)CCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873209214 649590676 /nfs/dbraw/zinc/59/06/76/649590676.db2.gz ILJJUQXHLHBTOW-HNNXBMFYSA-N 2 1 293.480 2.166 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873209214 649590679 /nfs/dbraw/zinc/59/06/79/649590679.db2.gz ILJJUQXHLHBTOW-HNNXBMFYSA-N 2 1 293.480 2.166 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](C2CC2)O1 ZINC000873209718 649590919 /nfs/dbraw/zinc/59/09/19/649590919.db2.gz SSRZGTIAAHIUMP-ABAIWWIYSA-N 2 1 292.448 2.393 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](C2CC2)O1 ZINC000873209718 649590921 /nfs/dbraw/zinc/59/09/21/649590921.db2.gz SSRZGTIAAHIUMP-ABAIWWIYSA-N 2 1 292.448 2.393 20 0 CEADMP CC1(C)Cc2cc(C[N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)ccc2O1 ZINC000873228279 649599150 /nfs/dbraw/zinc/59/91/50/649599150.db2.gz BWZIEMHBWNJADD-MAUKXSAKSA-N 2 1 286.419 2.441 20 0 CEADMP CC1(C)Cc2cc(C[N@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)ccc2O1 ZINC000873228279 649599152 /nfs/dbraw/zinc/59/91/52/649599152.db2.gz BWZIEMHBWNJADD-MAUKXSAKSA-N 2 1 286.419 2.441 20 0 CEADMP N[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000873262330 649616064 /nfs/dbraw/zinc/61/60/64/649616064.db2.gz WYECVHSIVMEISH-ZWRJDUBHSA-N 2 1 271.408 2.251 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000873263755 649616442 /nfs/dbraw/zinc/61/64/42/649616442.db2.gz ZJDFOOVRBAJANZ-MFKMUULPSA-N 2 1 298.228 2.322 20 0 CEADMP c1ccc2c(c1)CN[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000873296531 649631884 /nfs/dbraw/zinc/63/18/84/649631884.db2.gz HVNUIEIQWFVHKW-CADBVGFASA-N 2 1 299.462 2.211 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCC(C)(C)CO3)C2)C1 ZINC000878645024 651149845 /nfs/dbraw/zinc/14/98/45/651149845.db2.gz GCWFDZJNTPVAPX-GDBMZVCRSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CCC(C)(C)CO3)C2)C1 ZINC000878645024 651149847 /nfs/dbraw/zinc/14/98/47/651149847.db2.gz GCWFDZJNTPVAPX-GDBMZVCRSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CCC(C)(C)CO3)C2)C1 ZINC000878645024 651149850 /nfs/dbraw/zinc/14/98/50/651149850.db2.gz GCWFDZJNTPVAPX-GDBMZVCRSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3C[C@H]4CCC[C@@H]4O3)C2)C1 ZINC000878652385 651153181 /nfs/dbraw/zinc/15/31/81/651153181.db2.gz OXWOKKYYBPLJJK-QZWWFDLISA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3C[C@H]4CCC[C@@H]4O3)C2)C1 ZINC000878652385 651153184 /nfs/dbraw/zinc/15/31/84/651153184.db2.gz OXWOKKYYBPLJJK-QZWWFDLISA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3C[C@H]4CCC[C@@H]4O3)C2)C1 ZINC000878652385 651153187 /nfs/dbraw/zinc/15/31/87/651153187.db2.gz OXWOKKYYBPLJJK-QZWWFDLISA-N 2 1 278.440 2.362 20 0 CEADMP CO[C@@H]1CC[C@H]([N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000878747068 651178259 /nfs/dbraw/zinc/17/82/59/651178259.db2.gz HGVYQMOXQWLLBQ-JKSUJKDBSA-N 2 1 275.396 2.161 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC=C(Cl)C2)CC1 ZINC000878791495 651185750 /nfs/dbraw/zinc/18/57/50/651185750.db2.gz OMNOZXDEWUKNGR-UHFFFAOYSA-N 2 1 285.863 2.231 20 0 CEADMP COCC[N@@H+](CCCCCF)CC1CC[NH+](C)CC1 ZINC000879127586 651247658 /nfs/dbraw/zinc/24/76/58/651247658.db2.gz YTOUTRPITXGYCR-UHFFFAOYSA-N 2 1 274.424 2.416 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3ccccc3)CC[C@@H]21 ZINC000879572406 651324050 /nfs/dbraw/zinc/32/40/50/651324050.db2.gz PRQMTFBCDCQPNH-WBVHZDCISA-N 2 1 274.408 2.482 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3ccccc3)CC[C@@H]21 ZINC000879572406 651324052 /nfs/dbraw/zinc/32/40/52/651324052.db2.gz PRQMTFBCDCQPNH-WBVHZDCISA-N 2 1 274.408 2.482 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3ccccc3)CC[C@@H]21 ZINC000879572406 651324054 /nfs/dbraw/zinc/32/40/54/651324054.db2.gz PRQMTFBCDCQPNH-WBVHZDCISA-N 2 1 274.408 2.482 20 0 CEADMP CCOCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702304 651341471 /nfs/dbraw/zinc/34/14/71/651341471.db2.gz JNRDUHHUAPYKID-UHFFFAOYSA-N 2 1 256.434 2.323 20 0 CEADMP Cc1nsc(C)c1CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879581102 651326714 /nfs/dbraw/zinc/32/67/14/651326714.db2.gz WIZPIKTUJNCWLC-GXTWGEPZSA-N 2 1 265.426 2.286 20 0 CEADMP COC(=O)/C(C)=C/C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703863 651341551 /nfs/dbraw/zinc/34/15/51/651341551.db2.gz DKBALABTWYZYHW-GIDUJCDVSA-N 2 1 296.455 2.406 20 0 CEADMP CCOCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879947415 651363662 /nfs/dbraw/zinc/36/36/62/651363662.db2.gz HCNPMCQLKIOGMG-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2CCC[NH+]1CCCCC1 ZINC000880136182 651389272 /nfs/dbraw/zinc/38/92/72/651389272.db2.gz HJNZLJGYUHZNEC-HOTGVXAUSA-N 2 1 265.445 2.031 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000880136838 651389630 /nfs/dbraw/zinc/38/96/30/651389630.db2.gz SXUFKPQRJAXLIE-CVEARBPZSA-N 2 1 275.396 2.067 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000880136838 651389631 /nfs/dbraw/zinc/38/96/31/651389631.db2.gz SXUFKPQRJAXLIE-CVEARBPZSA-N 2 1 275.396 2.067 20 0 CEADMP COCC1([N@H+](C)CCCCn2cc[nH+]c2C)CCC1 ZINC000880185760 651397144 /nfs/dbraw/zinc/39/71/44/651397144.db2.gz BSBUGASJHOHWOC-UHFFFAOYSA-N 2 1 265.401 2.473 20 0 CEADMP COCC1([N@@H+](C)CCCCn2cc[nH+]c2C)CCC1 ZINC000880185760 651397145 /nfs/dbraw/zinc/39/71/45/651397145.db2.gz BSBUGASJHOHWOC-UHFFFAOYSA-N 2 1 265.401 2.473 20 0 CEADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H](C)O)CC1 ZINC000880253901 651410669 /nfs/dbraw/zinc/41/06/69/651410669.db2.gz DVQZGJHDPGDYGY-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)CCN1c1cc[nH+]cc1 ZINC000880259121 651411766 /nfs/dbraw/zinc/41/17/66/651411766.db2.gz MYDQYPAJWDYVFZ-GOEBONIOSA-N 2 1 289.423 2.407 20 0 CEADMP Cc1ncccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261368 651412304 /nfs/dbraw/zinc/41/23/04/651412304.db2.gz VFBCOXCYKBYDAM-AWEZNQCLSA-N 2 1 282.391 2.496 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC(C)([NH+]2CCC2)CC1 ZINC000880473721 651447168 /nfs/dbraw/zinc/44/71/68/651447168.db2.gz MCBZTMDZGASPEZ-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP C[C@@H]1C[C@@H](NCc2ccnc(-c3ccccn3)n2)CC[N@H+]1C ZINC000883292204 652424904 /nfs/dbraw/zinc/42/49/04/652424904.db2.gz GXBUYGHTQSHQER-KGLIPLIRSA-N 2 1 297.406 2.111 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](COC)C2)[C@@H](C)C1 ZINC000883320131 652432117 /nfs/dbraw/zinc/43/21/17/652432117.db2.gz BVBJQECWWBLZQH-NXOAAHMSSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883423747 652465175 /nfs/dbraw/zinc/46/51/75/652465175.db2.gz UMWSPZNFUBWGKE-NCOADZHNSA-N 2 1 297.462 2.273 20 0 CEADMP C[C@H](c1ccsc1)[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883431343 652467848 /nfs/dbraw/zinc/46/78/48/652467848.db2.gz RYVUHOAQWBXWHL-SNPRPXQTSA-N 2 1 297.443 2.127 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C[C@H]1C[NH3+] ZINC000883438199 652470337 /nfs/dbraw/zinc/47/03/37/652470337.db2.gz NNIYIOHNHBLWIJ-MXASKKJJSA-N 2 1 274.408 2.433 20 0 CEADMP CO[C@@]1(C(F)(F)F)CC[N@@H+](CCCCCC[NH3+])C1 ZINC000883447885 652473318 /nfs/dbraw/zinc/47/33/18/652473318.db2.gz ODLZVJZKVRTWMW-NSHDSACASA-N 2 1 268.323 2.159 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883458957 652476567 /nfs/dbraw/zinc/47/65/67/652476567.db2.gz CGKJBWWCNCVYQS-UHFFFAOYSA-N 2 1 273.424 2.471 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883458957 652476568 /nfs/dbraw/zinc/47/65/68/652476568.db2.gz CGKJBWWCNCVYQS-UHFFFAOYSA-N 2 1 273.424 2.471 20 0 CEADMP COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000133683822 652703656 /nfs/dbraw/zinc/70/36/56/652703656.db2.gz TYKBUBYZGULADT-CHWSQXEVSA-N 2 1 278.396 2.497 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925482466 652713811 /nfs/dbraw/zinc/71/38/11/652713811.db2.gz MQDBFWBBIXIBKD-DLBZAZTESA-N 2 1 281.488 2.476 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@@H]1C[NH2+]CC1(C)C)C1CCCCC1 ZINC000884189514 652747223 /nfs/dbraw/zinc/74/72/23/652747223.db2.gz HIKGBIBHNVGNQX-HNNXBMFYSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1n[nH]c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000885901674 653066200 /nfs/dbraw/zinc/06/62/00/653066200.db2.gz OQVQVHUCQLZYBH-UHFFFAOYSA-N 2 1 264.417 2.425 20 0 CEADMP C[C@@H]1C[C@H](O)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994528 805598765 /nfs/dbraw/zinc/59/87/65/805598765.db2.gz HSPQUZHWMYJYEB-HYLRJUEESA-N 2 1 278.440 2.237 20 0 CEADMP C[C@@H]1C[C@H](O)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994528 805598770 /nfs/dbraw/zinc/59/87/70/805598770.db2.gz HSPQUZHWMYJYEB-HYLRJUEESA-N 2 1 278.440 2.237 20 0 CEADMP C[C@@H]1C[C@H](O)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994528 805598779 /nfs/dbraw/zinc/59/87/79/805598779.db2.gz HSPQUZHWMYJYEB-HYLRJUEESA-N 2 1 278.440 2.237 20 0 CEADMP C[NH+](C)C[C@@H]1CCCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995868 805601700 /nfs/dbraw/zinc/60/17/00/805601700.db2.gz SZQYOZKRFOFHAS-KTGAGVNESA-N 2 1 291.483 2.418 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC)[C@@H]1CC ZINC001087593777 805758036 /nfs/dbraw/zinc/75/80/36/805758036.db2.gz VODCFMCSROMYFR-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H]1CC ZINC001087593777 805758038 /nfs/dbraw/zinc/75/80/38/805758038.db2.gz VODCFMCSROMYFR-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H]1CC ZINC001087593777 805758044 /nfs/dbraw/zinc/75/80/44/805758044.db2.gz VODCFMCSROMYFR-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1CC ZINC001087701748 805775494 /nfs/dbraw/zinc/77/54/94/805775494.db2.gz LFDCSMFTRSSEDV-YHUYYLMFSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1CC ZINC001087701748 805775499 /nfs/dbraw/zinc/77/54/99/805775499.db2.gz LFDCSMFTRSSEDV-YHUYYLMFSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1CC ZINC001087701748 805775503 /nfs/dbraw/zinc/77/55/03/805775503.db2.gz LFDCSMFTRSSEDV-YHUYYLMFSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(CN2CC[C@@](C)([NH3+])C2)cc1 ZINC001204770230 805781846 /nfs/dbraw/zinc/78/18/46/805781846.db2.gz BVUCGTNIRLUXLC-MRXNPFEDSA-N 2 1 270.380 2.104 20 0 CEADMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+]CCC(C)(C)C ZINC001271206808 805895948 /nfs/dbraw/zinc/89/59/48/805895948.db2.gz ICOKPRCIRYUYBX-CYBMUJFWSA-N 2 1 294.443 2.064 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001029739708 806057854 /nfs/dbraw/zinc/05/78/54/806057854.db2.gz KOZYFNROYLDFKK-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001029739708 806057863 /nfs/dbraw/zinc/05/78/63/806057863.db2.gz KOZYFNROYLDFKK-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001029739708 806057873 /nfs/dbraw/zinc/05/78/73/806057873.db2.gz KOZYFNROYLDFKK-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001088336310 806133346 /nfs/dbraw/zinc/13/33/46/806133346.db2.gz ARRAYJPGADLXAB-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC)CC1 ZINC001029969844 806324030 /nfs/dbraw/zinc/32/40/30/806324030.db2.gz ZBBYJZXGGSLEIG-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC)CC1 ZINC001029969844 806324038 /nfs/dbraw/zinc/32/40/38/806324038.db2.gz ZBBYJZXGGSLEIG-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC)CC1 ZINC001029969844 806324045 /nfs/dbraw/zinc/32/40/45/806324045.db2.gz ZBBYJZXGGSLEIG-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP COC(=O)[C@@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168330178 806659169 /nfs/dbraw/zinc/65/91/69/806659169.db2.gz MLUTUCUEWNPNDF-WLYUNCDWSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)CC1 ZINC001168334342 806662107 /nfs/dbraw/zinc/66/21/07/806662107.db2.gz RFXCPSZERXWPFJ-PPWQZUPISA-N 2 1 264.413 2.160 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC001088818149 806766171 /nfs/dbraw/zinc/76/61/71/806766171.db2.gz ZMKSZZFIJICPBH-FZKCQIBNSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001088818149 806766177 /nfs/dbraw/zinc/76/61/77/806766177.db2.gz ZMKSZZFIJICPBH-FZKCQIBNSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001088818149 806766183 /nfs/dbraw/zinc/76/61/83/806766183.db2.gz ZMKSZZFIJICPBH-FZKCQIBNSA-N 2 1 295.471 2.096 20 0 CEADMP CCCCC[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC001168369517 806916095 /nfs/dbraw/zinc/91/60/95/806916095.db2.gz VIBXCHRFFMNXKZ-UHFFFAOYSA-N 2 1 294.443 2.258 20 0 CEADMP CCOC(=O)[C@H]1CCCC[N@H+]1CC1CC[NH+](CC)CC1 ZINC001208598892 802387232 /nfs/dbraw/zinc/38/72/32/802387232.db2.gz ZXBWBVHGZQBTIM-OAHLLOKOSA-N 2 1 282.428 2.136 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)[C@H](C)O)CC1 ZINC001167078934 802400929 /nfs/dbraw/zinc/40/09/29/802400929.db2.gz YLAQTNOIAWMPNP-KGLIPLIRSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](CCCC(C)(C)OC(C)=O)C[C@@H]2C1 ZINC001209159467 802478628 /nfs/dbraw/zinc/47/86/28/802478628.db2.gz UCTOZEITRCBGGN-IYBDPMFKSA-N 2 1 296.455 2.382 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](CCCC(C)(C)OC(C)=O)C[C@@H]2C1 ZINC001209159467 802478631 /nfs/dbraw/zinc/47/86/31/802478631.db2.gz UCTOZEITRCBGGN-IYBDPMFKSA-N 2 1 296.455 2.382 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](CCCC(C)(C)OC(C)=O)C[C@@H]2C1 ZINC001209159467 802478635 /nfs/dbraw/zinc/47/86/35/802478635.db2.gz UCTOZEITRCBGGN-IYBDPMFKSA-N 2 1 296.455 2.382 20 0 CEADMP CC/C=C/CC[N@@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001266362821 802489865 /nfs/dbraw/zinc/48/98/65/802489865.db2.gz WHTLIAOGKPKNCT-MHJFZZRGSA-N 2 1 295.471 2.264 20 0 CEADMP CC/C=C/CC[NH+](C)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001266362821 802489868 /nfs/dbraw/zinc/48/98/68/802489868.db2.gz WHTLIAOGKPKNCT-MHJFZZRGSA-N 2 1 295.471 2.264 20 0 CEADMP CC/C=C/CC[NH+](C)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001266362821 802489872 /nfs/dbraw/zinc/48/98/72/802489872.db2.gz WHTLIAOGKPKNCT-MHJFZZRGSA-N 2 1 295.471 2.264 20 0 CEADMP Cc1cc(N)[nH+]cc1Nc1cnc2c(c1)C[N@@H+](C)CC2 ZINC001209968920 802607274 /nfs/dbraw/zinc/60/72/74/802607274.db2.gz ZSSORXVHPSEDOS-UHFFFAOYSA-N 2 1 269.352 2.099 20 0 CEADMP C[N@H+]1CC[C@H](Nc2cccc3c2C2(C=C3)CC[NH2+]CC2)C1 ZINC001167275797 802622255 /nfs/dbraw/zinc/62/22/55/802622255.db2.gz ZSLJOYMKGHGDGF-HNNXBMFYSA-N 2 1 283.419 2.451 20 0 CEADMP CCCCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266488650 802627347 /nfs/dbraw/zinc/62/73/47/802627347.db2.gz MVLHBOKAEHPZKI-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266488650 802627350 /nfs/dbraw/zinc/62/73/50/802627350.db2.gz MVLHBOKAEHPZKI-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266488650 802627352 /nfs/dbraw/zinc/62/73/52/802627352.db2.gz MVLHBOKAEHPZKI-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1CC[C@H](Nc2cc(Br)cc3c[nH+]cn32)C1 ZINC001167281118 802629716 /nfs/dbraw/zinc/62/97/16/802629716.db2.gz MKKCLVGVARGEDQ-JTQLQIEISA-N 2 1 295.184 2.213 20 0 CEADMP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266514897 802665223 /nfs/dbraw/zinc/66/52/23/802665223.db2.gz IZKRJVNDXMGVJB-DZEZYYDTSA-N 2 1 293.455 2.018 20 0 CEADMP COC(=[NH2+])c1cccc(-n2ccc3cc(C[NH3+])cnc32)c1 ZINC001167314695 802677524 /nfs/dbraw/zinc/67/75/24/802677524.db2.gz ZHMKINQXCNPDIL-UHFFFAOYSA-N 2 1 280.331 2.456 20 0 CEADMP COCc1ccc(C[N@@H+](C)CCCCCC[NH3+])o1 ZINC000710764456 809993244 /nfs/dbraw/zinc/99/32/44/809993244.db2.gz GQFWPUIJOLUJOH-UHFFFAOYSA-N 2 1 254.374 2.377 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H]1CCC2(CCC2)O1 ZINC000711432935 810071160 /nfs/dbraw/zinc/07/11/60/810071160.db2.gz RSNLKLAXAGCVCV-JALIKCBVSA-N 2 1 264.413 2.432 20 0 CEADMP C[N@@H+](C[C@H]1CC[C@H](C(F)(F)F)O1)CC(C)(C)C[NH3+] ZINC000721445210 802776883 /nfs/dbraw/zinc/77/68/83/802776883.db2.gz PIDQFYGEHHUBGM-NXEZZACHSA-N 2 1 268.323 2.013 20 0 CEADMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCOC1 ZINC000402670394 802860544 /nfs/dbraw/zinc/86/05/44/802860544.db2.gz CQCXKWXYURCLAA-UYTSQGDYSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1nc(C)c(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)o1 ZINC000723651347 802916748 /nfs/dbraw/zinc/91/67/48/802916748.db2.gz UBBDBOAMXMAOBQ-NRUUGDAUSA-N 2 1 251.374 2.097 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000723678276 802923319 /nfs/dbraw/zinc/92/33/19/802923319.db2.gz FHONDZRXRKGAMU-CYBMUJFWSA-N 2 1 266.360 2.265 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000723694852 802926121 /nfs/dbraw/zinc/92/61/21/802926121.db2.gz IYKLQOZCZAHGFS-GFCCVEGCSA-N 2 1 295.814 2.339 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CC[C@@H](C(F)(F)F)O2)C[C@H]1CC[NH3+] ZINC000723886239 802964416 /nfs/dbraw/zinc/96/44/16/802964416.db2.gz IKQSJVNKSRAGLD-KKOKHZNYSA-N 2 1 280.334 2.013 20 0 CEADMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(Cl)n1 ZINC000723891306 802965265 /nfs/dbraw/zinc/96/52/65/802965265.db2.gz LJSJWCWSCPVGLW-ZYHUDNBSSA-N 2 1 267.804 2.460 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1F ZINC000723893771 802966002 /nfs/dbraw/zinc/96/60/02/802966002.db2.gz DDAQNYNYYARTGY-VXGBXAGGSA-N 2 1 266.360 2.251 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001267178997 803197604 /nfs/dbraw/zinc/19/76/04/803197604.db2.gz IOCXUQZEEGBDDL-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CC[C@@H]([NH3+])CC[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246303556 813766410 /nfs/dbraw/zinc/76/64/10/813766410.db2.gz ABBKNCPBMCCTAQ-KGLIPLIRSA-N 3 1 253.434 2.158 20 0 CEADMP CN(C)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001204604415 803256380 /nfs/dbraw/zinc/25/63/80/803256380.db2.gz MUPOWYQZDXMZOO-KRWDZBQOSA-N 2 1 289.467 2.440 20 0 CEADMP C[NH+](C)CCN(CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001204604415 803256385 /nfs/dbraw/zinc/25/63/85/803256385.db2.gz MUPOWYQZDXMZOO-KRWDZBQOSA-N 2 1 289.467 2.440 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCC2SCCS2)CC[N@H+]1C ZINC000693779722 803277499 /nfs/dbraw/zinc/27/74/99/803277499.db2.gz MCHMKADGMLHZBY-QWRGUYRKSA-N 2 1 260.472 2.255 20 0 CEADMP Cc1[nH]c(CN2CCC([NH+]3CCCCC3)CC2)c(C)[nH+]1 ZINC000724788916 803295171 /nfs/dbraw/zinc/29/51/71/803295171.db2.gz CVGOCHXDEQOTQC-UHFFFAOYSA-N 2 1 276.428 2.477 20 0 CEADMP C[N@@H+](CC1(C)COC1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256573581 814474511 /nfs/dbraw/zinc/47/45/11/814474511.db2.gz KRBBSNNUTRERHE-UHFFFAOYSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC1CC1 ZINC001267308446 803352486 /nfs/dbraw/zinc/35/24/86/803352486.db2.gz YPFJQMVKLQGOTH-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)CC1CC1 ZINC001267308446 803352492 /nfs/dbraw/zinc/35/24/92/803352492.db2.gz YPFJQMVKLQGOTH-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)CC1CC1 ZINC001267308446 803352499 /nfs/dbraw/zinc/35/24/99/803352499.db2.gz YPFJQMVKLQGOTH-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001267324477 803368616 /nfs/dbraw/zinc/36/86/16/803368616.db2.gz HYAWGNNEOIACNI-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP Cc1cc(C)cc(C[N@@H+](C)C2(C[NH3+])CCOCC2)c1 ZINC000725056870 803414524 /nfs/dbraw/zinc/41/45/24/803414524.db2.gz SVZSBPWXRPFYJZ-UHFFFAOYSA-N 2 1 262.397 2.243 20 0 CEADMP Cc1cc(C)cc(C[N@H+](C)C2(C[NH3+])CCOCC2)c1 ZINC000725056870 803414527 /nfs/dbraw/zinc/41/45/27/803414527.db2.gz SVZSBPWXRPFYJZ-UHFFFAOYSA-N 2 1 262.397 2.243 20 0 CEADMP CCCC[NH2+][C@H](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001267492167 803509345 /nfs/dbraw/zinc/50/93/45/803509345.db2.gz FXUZVFXRHFKLNQ-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP Cc1cc2[nH+]ccn2cc1-n1nc(C[NH3+])c2ccccc21 ZINC001167698253 803573322 /nfs/dbraw/zinc/57/33/22/803573322.db2.gz RBTIAGZYVMKKJM-UHFFFAOYSA-N 2 1 277.331 2.440 20 0 CEADMP CCCCC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267726116 803678533 /nfs/dbraw/zinc/67/85/33/803678533.db2.gz RQZPXFIYOMIZEZ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267726116 803678536 /nfs/dbraw/zinc/67/85/36/803678536.db2.gz RQZPXFIYOMIZEZ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267726116 803678540 /nfs/dbraw/zinc/67/85/40/803678540.db2.gz RQZPXFIYOMIZEZ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267931967 803828544 /nfs/dbraw/zinc/82/85/44/803828544.db2.gz AOGHHAQTEPVOPW-JYJNAYRXSA-N 2 1 295.471 2.145 20 0 CEADMP COC(=O)c1csc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000715582009 814975066 /nfs/dbraw/zinc/97/50/66/814975066.db2.gz WCIZWZHKKXRQDX-QWHCGFSZSA-N 2 1 296.436 2.497 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1F ZINC001118180951 814991178 /nfs/dbraw/zinc/99/11/78/814991178.db2.gz QNIUVPMWQVFRCF-LBPRGKRZSA-N 2 1 266.360 2.395 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000125558351 804110910 /nfs/dbraw/zinc/11/09/10/804110910.db2.gz IVEZYSCPMLUHKO-ZDUSSCGKSA-N 2 1 255.365 2.406 20 0 CEADMP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027564123 804126517 /nfs/dbraw/zinc/12/65/17/804126517.db2.gz QREPODLJQLWJQH-HZPDHXFCSA-N 2 1 297.487 2.151 20 0 CEADMP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001027970885 804371512 /nfs/dbraw/zinc/37/15/12/804371512.db2.gz UTSPDEKJBHGLCJ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001027970885 804371517 /nfs/dbraw/zinc/37/15/17/804371517.db2.gz UTSPDEKJBHGLCJ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001027970885 804371526 /nfs/dbraw/zinc/37/15/26/804371526.db2.gz UTSPDEKJBHGLCJ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001027970885 804371536 /nfs/dbraw/zinc/37/15/36/804371536.db2.gz UTSPDEKJBHGLCJ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001027970902 804372543 /nfs/dbraw/zinc/37/25/43/804372543.db2.gz VHXGBCCDPREONL-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001027970902 804372551 /nfs/dbraw/zinc/37/25/51/804372551.db2.gz VHXGBCCDPREONL-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001027970902 804372554 /nfs/dbraw/zinc/37/25/54/804372554.db2.gz VHXGBCCDPREONL-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001027970902 804372562 /nfs/dbraw/zinc/37/25/62/804372562.db2.gz VHXGBCCDPREONL-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001167833561 804410841 /nfs/dbraw/zinc/41/08/41/804410841.db2.gz CMKSPZOBIZTPBA-OWCLPIDISA-N 2 1 267.461 2.133 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](CC(=O)OC)C1 ZINC001167834464 804417954 /nfs/dbraw/zinc/41/79/54/804417954.db2.gz KHYBXQYPDBGRPL-HUUCEWRRSA-N 2 1 284.444 2.382 20 0 CEADMP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268093488 804418956 /nfs/dbraw/zinc/41/89/56/804418956.db2.gz IXEHBLZVJMTGHB-HUUCEWRRSA-N 2 1 297.487 2.201 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccncn1 ZINC001167834838 804420319 /nfs/dbraw/zinc/42/03/19/804420319.db2.gz NDXNUSLSTVXINZ-CQSZACIVSA-N 2 1 264.417 2.419 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722400874 804452893 /nfs/dbraw/zinc/45/28/93/804452893.db2.gz ZNYKLFSMYYGBRG-DMGDTADUSA-N 2 1 292.345 2.441 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722400874 804452896 /nfs/dbraw/zinc/45/28/96/804452896.db2.gz ZNYKLFSMYYGBRG-DMGDTADUSA-N 2 1 292.345 2.441 20 0 CEADMP CC(C)=CC[N@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001268251058 804574256 /nfs/dbraw/zinc/57/42/56/804574256.db2.gz KSXDPALJZYSUFK-UHFFFAOYSA-N 2 1 297.487 2.321 20 0 CEADMP CC(C)=CC[NH+](C)CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001268251058 804574260 /nfs/dbraw/zinc/57/42/60/804574260.db2.gz KSXDPALJZYSUFK-UHFFFAOYSA-N 2 1 297.487 2.321 20 0 CEADMP CC(C)=CC[NH+](C)CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001268251058 804574263 /nfs/dbraw/zinc/57/42/63/804574263.db2.gz KSXDPALJZYSUFK-UHFFFAOYSA-N 2 1 297.487 2.321 20 0 CEADMP C[N@H+]1CC[C@H](c2ccc(NC(=[NH2+])SCC[NH3+])cc2)C1 ZINC001167916313 804730868 /nfs/dbraw/zinc/73/08/68/804730868.db2.gz RDQFCRXYDJBVPM-LBPRGKRZSA-N 3 1 278.425 2.144 20 0 CEADMP C[N@@H+]1CC[C@H](c2ccc(NC(=N)SCC[NH3+])cc2)C1 ZINC001167916313 804730870 /nfs/dbraw/zinc/73/08/70/804730870.db2.gz RDQFCRXYDJBVPM-LBPRGKRZSA-N 2 1 278.425 2.144 20 0 CEADMP C[N@H+]1CC[C@H](c2ccc(NC(=N)SCC[NH3+])cc2)C1 ZINC001167916313 804730875 /nfs/dbraw/zinc/73/08/75/804730875.db2.gz RDQFCRXYDJBVPM-LBPRGKRZSA-N 2 1 278.425 2.144 20 0 CEADMP C[N@H+]1CC[C@@H](c2ccc(NC(=[NH2+])SCC[NH3+])cc2)C1 ZINC001167916310 804734228 /nfs/dbraw/zinc/73/42/28/804734228.db2.gz RDQFCRXYDJBVPM-GFCCVEGCSA-N 3 1 278.425 2.144 20 0 CEADMP C[N@@H+]1CC[C@@H](c2ccc(NC(=N)SCC[NH3+])cc2)C1 ZINC001167916310 804734231 /nfs/dbraw/zinc/73/42/31/804734231.db2.gz RDQFCRXYDJBVPM-GFCCVEGCSA-N 2 1 278.425 2.144 20 0 CEADMP C[N@H+]1CC[C@@H](c2ccc(NC(=N)SCC[NH3+])cc2)C1 ZINC001167916310 804734236 /nfs/dbraw/zinc/73/42/36/804734236.db2.gz RDQFCRXYDJBVPM-GFCCVEGCSA-N 2 1 278.425 2.144 20 0 CEADMP CC(C)C[NH+]1CCC(NCC[C@H]2CCC[N@H+]2C)CC1 ZINC000710354988 804993354 /nfs/dbraw/zinc/99/33/54/804993354.db2.gz BOHCTUYDERENNJ-MRXNPFEDSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC(C)(C)C ZINC001038409049 805279950 /nfs/dbraw/zinc/27/99/50/805279950.db2.gz MFTUSPKCAFZTTG-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC(C)(C)C ZINC001038409049 805279962 /nfs/dbraw/zinc/27/99/62/805279962.db2.gz MFTUSPKCAFZTTG-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038409049 805279973 /nfs/dbraw/zinc/27/99/73/805279973.db2.gz MFTUSPKCAFZTTG-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001038409049 805279983 /nfs/dbraw/zinc/27/99/83/805279983.db2.gz MFTUSPKCAFZTTG-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP N=c1cc(C[NH3+])ccn1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964485 805449225 /nfs/dbraw/zinc/44/92/25/805449225.db2.gz RAHRNMZLSLOVJW-XYPWUTKMSA-N 2 1 286.423 2.004 20 0 CEADMP CCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)COC1 ZINC001167966689 805484687 /nfs/dbraw/zinc/48/46/87/805484687.db2.gz ZJLYQPWXZMQONQ-GOOCMWNKSA-N 2 1 264.413 2.160 20 0 CEADMP CCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)COC1 ZINC001167966689 805484694 /nfs/dbraw/zinc/48/46/94/805484694.db2.gz ZJLYQPWXZMQONQ-GOOCMWNKSA-N 2 1 264.413 2.160 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000894536204 805504351 /nfs/dbraw/zinc/50/43/51/805504351.db2.gz UHABNKUBHIEAGY-GJZGRUSLSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)CC1 ZINC000894536206 805504480 /nfs/dbraw/zinc/50/44/80/805504480.db2.gz UHABNKUBHIEAGY-LSDHHAIUSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@]1(CO)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167982818 805518334 /nfs/dbraw/zinc/51/83/34/805518334.db2.gz BFQLDICKBVHROY-WFVVYAPDSA-N 2 1 278.440 2.096 20 0 CEADMP C[C@]1(CO)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167982818 805518339 /nfs/dbraw/zinc/51/83/39/805518339.db2.gz BFQLDICKBVHROY-WFVVYAPDSA-N 2 1 278.440 2.096 20 0 CEADMP C[C@]1(CO)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167982818 805518346 /nfs/dbraw/zinc/51/83/46/805518346.db2.gz BFQLDICKBVHROY-WFVVYAPDSA-N 2 1 278.440 2.096 20 0 CEADMP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001029108381 805539201 /nfs/dbraw/zinc/53/92/01/805539201.db2.gz GYSMFFRNZCACRF-AWEZNQCLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001029173040 805569692 /nfs/dbraw/zinc/56/96/92/805569692.db2.gz JXLGDQWGKLEELS-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1C ZINC001089060687 807325757 /nfs/dbraw/zinc/32/57/57/807325757.db2.gz BRGJYYGYZDPBLO-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1C ZINC001089060687 807325765 /nfs/dbraw/zinc/32/57/65/807325765.db2.gz BRGJYYGYZDPBLO-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001089060687 807325775 /nfs/dbraw/zinc/32/57/75/807325775.db2.gz BRGJYYGYZDPBLO-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP C([C@@H]1CCC2(CCC2)CO1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000716302614 815111347 /nfs/dbraw/zinc/11/13/47/815111347.db2.gz PUWKTSDIKWHALA-GOEBONIOSA-N 2 1 264.413 2.021 20 0 CEADMP C[N@H+](C[C@H]1CCC2(CCC2)CO1)[C@@H](C[NH3+])C1CC1 ZINC000716296830 815111429 /nfs/dbraw/zinc/11/14/29/815111429.db2.gz WGTWHAHRGDHSEX-KGLIPLIRSA-N 2 1 252.402 2.005 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(CCC2)CO1)[C@@H](C[NH3+])C1CC1 ZINC000716296830 815111434 /nfs/dbraw/zinc/11/14/34/815111434.db2.gz WGTWHAHRGDHSEX-KGLIPLIRSA-N 2 1 252.402 2.005 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127260702 807561340 /nfs/dbraw/zinc/56/13/40/807561340.db2.gz DNLKHPYOOQRFSI-HOTGVXAUSA-N 2 1 295.471 2.147 20 0 CEADMP CCOC(=O)CCCCCC[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205094654 807580229 /nfs/dbraw/zinc/58/02/29/807580229.db2.gz NREQWQSSTHYVON-CQSZACIVSA-N 2 1 270.417 2.313 20 0 CEADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089333621 807756175 /nfs/dbraw/zinc/75/61/75/807756175.db2.gz BJFGARGOTQTQFT-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089333621 807756177 /nfs/dbraw/zinc/75/61/77/807756177.db2.gz BJFGARGOTQTQFT-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089333621 807756182 /nfs/dbraw/zinc/75/61/82/807756182.db2.gz BJFGARGOTQTQFT-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC1=CC[C@H](CC[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1(C)C ZINC001235051920 807763665 /nfs/dbraw/zinc/76/36/65/807763665.db2.gz CESAEFJFGPNZMQ-NVXWUHKLSA-N 2 1 277.456 2.006 20 0 CEADMP C[N@@H+](CCCCNC(=O)OC(C)(C)C)C[C@@H]1CCC[NH2+]C1 ZINC001235950310 807898255 /nfs/dbraw/zinc/89/82/55/807898255.db2.gz AFPYVFAHQVZLAK-CQSZACIVSA-N 2 1 299.459 2.223 20 0 CEADMP C[N@@H+](Cc1cccc(F)c1)C1CCN(CCCCO)CC1 ZINC001236210349 808016160 /nfs/dbraw/zinc/01/61/60/808016160.db2.gz CEEMQAQOOHJZRK-UHFFFAOYSA-N 2 1 294.414 2.494 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171520034 815191944 /nfs/dbraw/zinc/19/19/44/815191944.db2.gz KXGDILQIXKDUNR-KOLCDFICSA-N 2 1 286.341 2.488 20 0 CEADMP CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120129868 815200055 /nfs/dbraw/zinc/20/00/55/815200055.db2.gz PVRYYWXDYYSVFN-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP C[NH+]1C(C)(C)CC([N@@H+]2CCO[C@@]3(CCOC3)C2)CC1(C)C ZINC001171632377 815201678 /nfs/dbraw/zinc/20/16/78/815201678.db2.gz YWBAJIXLOOYSCK-KRWDZBQOSA-N 2 1 296.455 2.129 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCO[C@@]3(CCOC3)C2)CC1(C)C ZINC001171632377 815201682 /nfs/dbraw/zinc/20/16/82/815201682.db2.gz YWBAJIXLOOYSCK-KRWDZBQOSA-N 2 1 296.455 2.129 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619104 815204790 /nfs/dbraw/zinc/20/47/90/815204790.db2.gz HYTRAPJDSQFCML-UHFFFAOYSA-N 3 1 278.444 2.433 20 0 CEADMP C[C@H]1C[C@@H](n2cc(C[NH3+])cn2)C[N@H+]1Cc1ccccc1 ZINC001171730769 815219936 /nfs/dbraw/zinc/21/99/36/815219936.db2.gz YZMGVNOGCYENBG-XJKSGUPXSA-N 2 1 270.380 2.177 20 0 CEADMP CCOC(=O)C1=C([NH+]=c2cc[nH]c(C[NH3+])c2)CCCC1 ZINC001168565102 808634311 /nfs/dbraw/zinc/63/43/11/808634311.db2.gz WBSZFMGOQCATEB-UHFFFAOYSA-N 2 1 275.352 2.343 20 0 CEADMP COc1ccc(C[NH2+]CCn2cc[nH+]c2C)c(C)c1 ZINC000921629795 808644494 /nfs/dbraw/zinc/64/44/94/808644494.db2.gz YHTPXKAEIFZTCQ-UHFFFAOYSA-N 2 1 259.353 2.298 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc3occc32)CC1 ZINC001205247875 808701267 /nfs/dbraw/zinc/70/12/67/808701267.db2.gz KKYRZEUTFBJTCV-INIZCTEOSA-N 2 1 274.364 2.109 20 0 CEADMP C[NH+]1CCN(c2ccccc2Nc2ccc[nH+]c2N)CC1 ZINC001212400284 808745439 /nfs/dbraw/zinc/74/54/39/808745439.db2.gz VYEAHGLMGJRFTG-UHFFFAOYSA-N 2 1 283.379 2.159 20 0 CEADMP CC1(C)C[C@@H](n2cnc(C[NH3+])n2)CC[N@@H+]1Cc1ccccc1 ZINC001171967511 815253616 /nfs/dbraw/zinc/25/36/16/815253616.db2.gz APNQGQFLCVDBOG-HNNXBMFYSA-N 2 1 299.422 2.353 20 0 CEADMP CC1(C)C[C@@H](n2cnc(C[NH3+])n2)CC[N@H+]1Cc1ccccc1 ZINC001171967511 815253621 /nfs/dbraw/zinc/25/36/21/815253621.db2.gz APNQGQFLCVDBOG-HNNXBMFYSA-N 2 1 299.422 2.353 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001171935744 815255397 /nfs/dbraw/zinc/25/53/97/815255397.db2.gz HMEJFPNWFZGQFS-VQCLRJIVSA-N 2 1 282.428 2.040 20 0 CEADMP CC1(C)C[C@H]([NH+]2CC(CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171984410 815265724 /nfs/dbraw/zinc/26/57/24/815265724.db2.gz LAIKDEFCFIRGMG-QGZVFWFLSA-N 2 1 288.435 2.354 20 0 CEADMP CC1(C)C[C@H]([NH+]2CC(CO)C2)CC[N@H+]1Cc1ccccc1 ZINC001171984410 815265726 /nfs/dbraw/zinc/26/57/26/815265726.db2.gz LAIKDEFCFIRGMG-QGZVFWFLSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000922509263 809161801 /nfs/dbraw/zinc/16/18/01/809161801.db2.gz DKRIQJGQOSHELW-FOUMNBMASA-N 2 1 265.426 2.339 20 0 CEADMP CCC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033145407 809200492 /nfs/dbraw/zinc/20/04/92/809200492.db2.gz HREWBOKGFJOAPF-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033145407 809200497 /nfs/dbraw/zinc/20/04/97/809200497.db2.gz HREWBOKGFJOAPF-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033145407 809200502 /nfs/dbraw/zinc/20/05/02/809200502.db2.gz HREWBOKGFJOAPF-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP C[NH+](C)CCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101669 815280828 /nfs/dbraw/zinc/28/08/28/815280828.db2.gz HLHBAODSXNQHGL-MUJYYYPQSA-N 3 1 267.461 2.323 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCCC[NH+](C)C)C2 ZINC001172101669 815280832 /nfs/dbraw/zinc/28/08/32/815280832.db2.gz HLHBAODSXNQHGL-MUJYYYPQSA-N 2 1 267.461 2.323 20 0 CEADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nc1 ZINC001172098186 815282803 /nfs/dbraw/zinc/28/28/03/815282803.db2.gz BLHGEXRLAYWECJ-MUJYYYPQSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC001172098186 815282808 /nfs/dbraw/zinc/28/28/08/815282808.db2.gz BLHGEXRLAYWECJ-MUJYYYPQSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1cccc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172100360 815284508 /nfs/dbraw/zinc/28/45/08/815284508.db2.gz PFHVCYXJBZXPJR-PHZGNYQRSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001172100360 815284513 /nfs/dbraw/zinc/28/45/13/815284513.db2.gz PFHVCYXJBZXPJR-PHZGNYQRSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172100360 815284517 /nfs/dbraw/zinc/28/45/17/815284517.db2.gz PFHVCYXJBZXPJR-PHZGNYQRSA-N 2 1 259.397 2.495 20 0 CEADMP CC[N@H+](CCn1ccnc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127679 815286490 /nfs/dbraw/zinc/28/64/90/815286490.db2.gz JHNYGOPYWLXLQX-ZSHCYNCHSA-N 2 1 276.428 2.220 20 0 CEADMP CC[N@@H+](CCn1ccnc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127679 815286495 /nfs/dbraw/zinc/28/64/95/815286495.db2.gz JHNYGOPYWLXLQX-ZSHCYNCHSA-N 2 1 276.428 2.220 20 0 CEADMP CC[NH+](CCn1ccnc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127679 815286496 /nfs/dbraw/zinc/28/64/96/815286496.db2.gz JHNYGOPYWLXLQX-ZSHCYNCHSA-N 2 1 276.428 2.220 20 0 CEADMP CC[NH+](CCn1ccnc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127679 815286501 /nfs/dbraw/zinc/28/65/01/815286501.db2.gz JHNYGOPYWLXLQX-ZSHCYNCHSA-N 2 1 276.428 2.220 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3(CSC3)C1)C2 ZINC001172127670 815287205 /nfs/dbraw/zinc/28/72/05/815287205.db2.gz JGISLZWVDIXYMC-CLLJXQQHSA-N 2 1 252.427 2.051 20 0 CEADMP C[NH2+]CCN([C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC001172129936 815289284 /nfs/dbraw/zinc/28/92/84/815289284.db2.gz MHUNAVNVDMVFFA-FICVDOATSA-N 2 1 267.461 2.322 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCC(C)(C)C ZINC001128784473 809463215 /nfs/dbraw/zinc/46/32/15/809463215.db2.gz NHHXESAMVBUSPI-CQSZACIVSA-N 2 1 283.460 2.003 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)C2 ZINC001172105515 815295444 /nfs/dbraw/zinc/29/54/44/815295444.db2.gz IPLBNZUROYYBCG-YVSFHVDLSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)C2 ZINC001172105515 815295448 /nfs/dbraw/zinc/29/54/48/815295448.db2.gz IPLBNZUROYYBCG-YVSFHVDLSA-N 2 1 292.398 2.464 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cnn(C)c1 ZINC001172105485 815296563 /nfs/dbraw/zinc/29/65/63/815296563.db2.gz IMSSLSSCRXPBRO-REBRKWNGSA-N 2 1 262.401 2.086 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H](O)c1ccccc1F)C2 ZINC001172105140 815296970 /nfs/dbraw/zinc/29/69/70/815296970.db2.gz HHKLBCMAGQNWDN-ZJOBFFGXSA-N 2 1 292.398 2.464 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](C(C)C)C2)CC[N@H+]1C ZINC001034217020 809554544 /nfs/dbraw/zinc/55/45/44/809554544.db2.gz OBQMERIASUSSFM-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](C(C)C)C2)CC[NH+]1C ZINC001034217020 809554548 /nfs/dbraw/zinc/55/45/48/809554548.db2.gz OBQMERIASUSSFM-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](C(C)C)C2)CC[NH+]1C ZINC001034217020 809554552 /nfs/dbraw/zinc/55/45/52/809554552.db2.gz OBQMERIASUSSFM-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001034269417 809567902 /nfs/dbraw/zinc/56/79/02/809567902.db2.gz DEGLXFZVSAVDHG-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034269417 809567903 /nfs/dbraw/zinc/56/79/03/809567903.db2.gz DEGLXFZVSAVDHG-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034269417 809567907 /nfs/dbraw/zinc/56/79/07/809567907.db2.gz DEGLXFZVSAVDHG-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034269417 809567910 /nfs/dbraw/zinc/56/79/10/809567910.db2.gz DEGLXFZVSAVDHG-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034269417 809567913 /nfs/dbraw/zinc/56/79/13/809567913.db2.gz DEGLXFZVSAVDHG-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](C)C1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172113842 815302189 /nfs/dbraw/zinc/30/21/89/815302189.db2.gz NBQALDYJIDFTPA-ZSHCYNCHSA-N 2 1 265.445 2.028 20 0 CEADMP CC[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529073 809624721 /nfs/dbraw/zinc/62/47/21/809624721.db2.gz WCQJAKHXRZNJAC-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001034646704 809650727 /nfs/dbraw/zinc/65/07/27/809650727.db2.gz PLSDYXFDZXUZJF-BZUAXINKSA-N 2 1 295.471 2.285 20 0 CEADMP CC(C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001034646705 809650998 /nfs/dbraw/zinc/65/09/98/809650998.db2.gz PLSDYXFDZXUZJF-JYJNAYRXSA-N 2 1 295.471 2.285 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(C)(C)C[C@]1(C)CO)C2 ZINC001172117024 815306634 /nfs/dbraw/zinc/30/66/34/815306634.db2.gz FQKLDJJRRTYOSG-JYYAWHABSA-N 2 1 280.456 2.485 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(C)(C)C[C@]1(C)CO)C2 ZINC001172117024 815306641 /nfs/dbraw/zinc/30/66/41/815306641.db2.gz FQKLDJJRRTYOSG-JYYAWHABSA-N 2 1 280.456 2.485 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC(C)(C)C[C@]1(C)CO)C2 ZINC001172117024 815306646 /nfs/dbraw/zinc/30/66/46/815306646.db2.gz FQKLDJJRRTYOSG-JYYAWHABSA-N 2 1 280.456 2.485 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC(C)(C)C[C@]1(C)CO)C2 ZINC001172117024 815306650 /nfs/dbraw/zinc/30/66/50/815306650.db2.gz FQKLDJJRRTYOSG-JYYAWHABSA-N 2 1 280.456 2.485 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCOCC13CCC3)C2 ZINC001172121306 815308285 /nfs/dbraw/zinc/30/82/85/815308285.db2.gz DLEXKEYVGZIAOI-QDMKHBRRSA-N 2 1 264.413 2.257 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCOCC13CCC3)C2 ZINC001172121306 815308292 /nfs/dbraw/zinc/30/82/92/815308292.db2.gz DLEXKEYVGZIAOI-QDMKHBRRSA-N 2 1 264.413 2.257 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCOCC13CCC3)C2 ZINC001172121306 815308298 /nfs/dbraw/zinc/30/82/98/815308298.db2.gz DLEXKEYVGZIAOI-QDMKHBRRSA-N 2 1 264.413 2.257 20 0 CEADMP CC(C)OC1CCC([NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000703806391 809693054 /nfs/dbraw/zinc/69/30/54/809693054.db2.gz UUWDQTHWABTHKI-VXGQWTEUSA-N 2 1 254.418 2.453 20 0 CEADMP COC(=O)[C@@H]1CCCCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120509 815310552 /nfs/dbraw/zinc/31/05/52/815310552.db2.gz LCMPKVCJTLFWAJ-YJNKXOJESA-N 2 1 280.412 2.029 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+]3CCCC[C@H]3C1)C2 ZINC001172122869 815313516 /nfs/dbraw/zinc/31/35/16/815313516.db2.gz UMFWIPLQDPTZJY-YVSFHVDLSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[N@@H+]3CCCC[C@H]3C1)C2 ZINC001172122869 815313522 /nfs/dbraw/zinc/31/35/22/815313522.db2.gz UMFWIPLQDPTZJY-YVSFHVDLSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[N@H+]3CCCC[C@H]3C1)C2 ZINC001172122869 815313529 /nfs/dbraw/zinc/31/35/29/815313529.db2.gz UMFWIPLQDPTZJY-YVSFHVDLSA-N 2 1 277.456 2.172 20 0 CEADMP C([NH2+][C@H](C1CC1)C1CCC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000705299274 809777661 /nfs/dbraw/zinc/77/76/61/809777661.db2.gz LSSVRLHIUIXHJR-PMPSAXMXSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+][C@H](C1CC1)C1CCC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000705299274 809777664 /nfs/dbraw/zinc/77/76/64/809777664.db2.gz LSSVRLHIUIXHJR-PMPSAXMXSA-N 2 1 264.413 2.018 20 0 CEADMP CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000708432705 809931380 /nfs/dbraw/zinc/93/13/80/809931380.db2.gz JDKDAZRUGFPJSL-CABCVRRESA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000708901381 809938627 /nfs/dbraw/zinc/93/86/27/809938627.db2.gz WEZQPBJSTFFUOM-CQSZACIVSA-N 2 1 280.437 2.251 20 0 CEADMP CC(C)[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000708901381 809938632 /nfs/dbraw/zinc/93/86/32/809938632.db2.gz WEZQPBJSTFFUOM-CQSZACIVSA-N 2 1 280.437 2.251 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709869032 809974136 /nfs/dbraw/zinc/97/41/36/809974136.db2.gz SJJJIHKVBSCWSY-FPCVCCKLSA-N 2 1 264.413 2.020 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC2(CCC2)O1 ZINC000711406553 810068418 /nfs/dbraw/zinc/06/84/18/810068418.db2.gz HYDHYJKAHMBQKO-RRFJBIMHSA-N 2 1 264.413 2.305 20 0 CEADMP COc1ccc(C[N@H+](C)CCC[NH2+]C2CC2)cc1OC ZINC000923298559 810084470 /nfs/dbraw/zinc/08/44/70/810084470.db2.gz VVYWUCLGUHPDAH-UHFFFAOYSA-N 2 1 278.396 2.278 20 0 CEADMP COc1ccc(C[N@@H+](C)CCC[NH2+]C2CC2)cc1OC ZINC000923298559 810084471 /nfs/dbraw/zinc/08/44/71/810084471.db2.gz VVYWUCLGUHPDAH-UHFFFAOYSA-N 2 1 278.396 2.278 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923503682 810105782 /nfs/dbraw/zinc/10/57/82/810105782.db2.gz KUXCEFQYKYNETI-GJZGRUSLSA-N 2 1 262.397 2.291 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015497917 810297325 /nfs/dbraw/zinc/29/73/25/810297325.db2.gz HTDILYJBATXLRG-HNNXBMFYSA-N 2 1 293.455 2.018 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1OC ZINC001206163797 815359298 /nfs/dbraw/zinc/35/92/98/815359298.db2.gz GANCOBIHFZPPRS-KGLIPLIRSA-N 2 1 296.386 2.355 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1OC ZINC001206163797 815359305 /nfs/dbraw/zinc/35/93/05/815359305.db2.gz GANCOBIHFZPPRS-KGLIPLIRSA-N 2 1 296.386 2.355 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC)C1 ZINC001015976512 810381191 /nfs/dbraw/zinc/38/11/91/810381191.db2.gz NAUBDBPEFFTFIP-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC001015976512 810381199 /nfs/dbraw/zinc/38/11/99/810381199.db2.gz NAUBDBPEFFTFIP-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC001015976512 810381205 /nfs/dbraw/zinc/38/12/05/810381205.db2.gz NAUBDBPEFFTFIP-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001017127786 810494384 /nfs/dbraw/zinc/49/43/84/810494384.db2.gz PZGMYPHPZGHBMJ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001017127786 810494389 /nfs/dbraw/zinc/49/43/89/810494389.db2.gz PZGMYPHPZGHBMJ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001017127786 810494391 /nfs/dbraw/zinc/49/43/91/810494391.db2.gz PZGMYPHPZGHBMJ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001017208549 810499383 /nfs/dbraw/zinc/49/93/83/810499383.db2.gz IEIJAVPUBJULNW-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001017208549 810499390 /nfs/dbraw/zinc/49/93/90/810499390.db2.gz IEIJAVPUBJULNW-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001017208549 810499394 /nfs/dbraw/zinc/49/93/94/810499394.db2.gz IEIJAVPUBJULNW-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000691408955 810719488 /nfs/dbraw/zinc/71/94/88/810719488.db2.gz YFNSYHDJCPOOGC-ZACQAIPSSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCS[C@@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000721420211 810805175 /nfs/dbraw/zinc/80/51/75/810805175.db2.gz JGAMQMJHIHPLOI-GMTAPVOTSA-N 2 1 282.375 2.354 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001085589606 810847289 /nfs/dbraw/zinc/84/72/89/810847289.db2.gz PMXNIUSIVKQWPP-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085589606 810847300 /nfs/dbraw/zinc/84/73/00/810847300.db2.gz PMXNIUSIVKQWPP-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085589606 810847304 /nfs/dbraw/zinc/84/73/04/810847304.db2.gz PMXNIUSIVKQWPP-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1F ZINC001206164177 815402523 /nfs/dbraw/zinc/40/25/23/815402523.db2.gz JIDKPGKAFGWGFT-OCCSQVGLSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1F ZINC001206164177 815402527 /nfs/dbraw/zinc/40/25/27/815402527.db2.gz JIDKPGKAFGWGFT-OCCSQVGLSA-N 2 1 254.324 2.395 20 0 CEADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172358359 815402569 /nfs/dbraw/zinc/40/25/69/815402569.db2.gz HDODZFWRGMNDBC-SYQHCUMBSA-N 2 1 270.417 2.071 20 0 CEADMP CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001085628926 810856983 /nfs/dbraw/zinc/85/69/83/810856983.db2.gz HQLGDBCNKHLMRT-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001085628926 810856991 /nfs/dbraw/zinc/85/69/91/810856991.db2.gz HQLGDBCNKHLMRT-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001085628926 810856997 /nfs/dbraw/zinc/85/69/97/810856997.db2.gz HQLGDBCNKHLMRT-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038783906 810913425 /nfs/dbraw/zinc/91/34/25/810913425.db2.gz ZRLSAIFQLBKXSZ-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001038783906 810913430 /nfs/dbraw/zinc/91/34/30/810913430.db2.gz ZRLSAIFQLBKXSZ-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001038783906 810913440 /nfs/dbraw/zinc/91/34/40/810913440.db2.gz ZRLSAIFQLBKXSZ-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1O ZINC001169096820 811366094 /nfs/dbraw/zinc/36/60/94/811366094.db2.gz YUAGCTOCEPGASI-QDMKHBRRSA-N 2 1 290.407 2.158 20 0 CEADMP Cc1cccn2c(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)cnc12 ZINC001169094978 811367190 /nfs/dbraw/zinc/36/71/90/811367190.db2.gz OHLMWGFXVOMTET-QKDCVEJESA-N 2 1 284.407 2.358 20 0 CEADMP Cc1cccn2c(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cnc12 ZINC001169094978 811367201 /nfs/dbraw/zinc/36/72/01/811367201.db2.gz OHLMWGFXVOMTET-QKDCVEJESA-N 2 1 284.407 2.358 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](CCO)c1ccc(F)cc1)C2 ZINC001169090865 811385049 /nfs/dbraw/zinc/38/50/49/811385049.db2.gz MKETYMFFIACPMA-WCXIOVBPSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](CCO)c1ccc(F)cc1)C2 ZINC001169090865 811385056 /nfs/dbraw/zinc/38/50/56/811385056.db2.gz MKETYMFFIACPMA-WCXIOVBPSA-N 2 1 292.398 2.464 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169122796 811389455 /nfs/dbraw/zinc/38/94/55/811389455.db2.gz DQSVZWIRKLBNHS-QDMKHBRRSA-N 2 1 284.407 2.358 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169122796 811389464 /nfs/dbraw/zinc/38/94/64/811389464.db2.gz DQSVZWIRKLBNHS-QDMKHBRRSA-N 2 1 284.407 2.358 20 0 CEADMP CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001043602226 811389795 /nfs/dbraw/zinc/38/97/95/811389795.db2.gz FQRZASCOXAZCRC-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3cc(CO)ccc3C1)C2 ZINC001169124861 811390874 /nfs/dbraw/zinc/39/08/74/811390874.db2.gz FSMGHXDGPJVKQK-BCDXTJNWSA-N 2 1 286.419 2.162 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCc3cc(CO)ccc3C1)C2 ZINC001169124861 811390886 /nfs/dbraw/zinc/39/08/86/811390886.db2.gz FSMGHXDGPJVKQK-BCDXTJNWSA-N 2 1 286.419 2.162 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCc3cc(CO)ccc3C1)C2 ZINC001169124861 811390899 /nfs/dbraw/zinc/39/08/99/811390899.db2.gz FSMGHXDGPJVKQK-BCDXTJNWSA-N 2 1 286.419 2.162 20 0 CEADMP CCOC(=O)C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169127134 811395649 /nfs/dbraw/zinc/39/56/49/811395649.db2.gz ZXBGSJIULYYLEI-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169127134 811395657 /nfs/dbraw/zinc/39/56/57/811395657.db2.gz ZXBGSJIULYYLEI-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169127134 811395663 /nfs/dbraw/zinc/39/56/63/811395663.db2.gz ZXBGSJIULYYLEI-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP CC(C)COCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001172456688 815444504 /nfs/dbraw/zinc/44/45/04/815444504.db2.gz HFENTIWTNJDHLD-LSDHHAIUSA-N 2 1 256.434 2.369 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC(C)(C)N(O)C1(C)C)C2 ZINC001169108935 811403964 /nfs/dbraw/zinc/40/39/64/811403964.db2.gz WQVKOFKUYORMNZ-CRWXNKLISA-N 2 1 281.444 2.222 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](C(=O)OC(C)(C)C)C1)C2 ZINC001169142759 811407968 /nfs/dbraw/zinc/40/79/68/811407968.db2.gz VHROOYTXHJMMBY-XQLPTFJDSA-N 2 1 294.439 2.275 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1)C2 ZINC001169142759 811407973 /nfs/dbraw/zinc/40/79/73/811407973.db2.gz VHROOYTXHJMMBY-XQLPTFJDSA-N 2 1 294.439 2.275 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1)C2 ZINC001169142759 811407976 /nfs/dbraw/zinc/40/79/76/811407976.db2.gz VHROOYTXHJMMBY-XQLPTFJDSA-N 2 1 294.439 2.275 20 0 CEADMP CCCC[NH+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169141694 811408911 /nfs/dbraw/zinc/40/89/11/811408911.db2.gz RYLVOEYJWCPHQB-MUJYYYPQSA-N 2 1 265.445 2.029 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c(N)cccc2F)CCC[C@H]1C[NH3+] ZINC001206003852 811428958 /nfs/dbraw/zinc/42/89/58/811428958.db2.gz MYXNPBXWOOJTOK-RYUDHWBXSA-N 2 1 265.376 2.215 20 0 CEADMP CCN1CCC([N@@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)CC1 ZINC001169245465 811460228 /nfs/dbraw/zinc/46/02/28/811460228.db2.gz FASVFQLUEJTCHR-WCQYABFASA-N 2 1 294.361 2.106 20 0 CEADMP CCN1CCC([N@H+]2CC[C@](O)(C(F)(F)F)[C@@H](C)C2)CC1 ZINC001169245465 811460235 /nfs/dbraw/zinc/46/02/35/811460235.db2.gz FASVFQLUEJTCHR-WCQYABFASA-N 2 1 294.361 2.106 20 0 CEADMP CCN1CCC([N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)CC1 ZINC001169245466 811461122 /nfs/dbraw/zinc/46/11/22/811461122.db2.gz FASVFQLUEJTCHR-YPMHNXCESA-N 2 1 294.361 2.106 20 0 CEADMP CCN1CCC([N@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)CC1 ZINC001169245466 811461125 /nfs/dbraw/zinc/46/11/25/811461125.db2.gz FASVFQLUEJTCHR-YPMHNXCESA-N 2 1 294.361 2.106 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1OC ZINC001206165142 815458413 /nfs/dbraw/zinc/45/84/13/815458413.db2.gz MGBLCUAHWITULB-KGLIPLIRSA-N 2 1 296.386 2.355 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1OC ZINC001206165142 815458418 /nfs/dbraw/zinc/45/84/18/815458418.db2.gz MGBLCUAHWITULB-KGLIPLIRSA-N 2 1 296.386 2.355 20 0 CEADMP Nc1cc(Cl)cc(NCC23CC[NH+](CC2)CC3)[nH+]1 ZINC001169793990 811672968 /nfs/dbraw/zinc/67/29/68/811672968.db2.gz AVGQIYWJWUMWCO-UHFFFAOYSA-N 2 1 266.776 2.215 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)CCC[C@@H]1C[NH3+] ZINC001206023565 811690631 /nfs/dbraw/zinc/69/06/31/811690631.db2.gz FUZZNJBKERUDOZ-UKRRQHHQSA-N 2 1 273.424 2.097 20 0 CEADMP Cc1cnc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206025660 811717537 /nfs/dbraw/zinc/71/75/37/811717537.db2.gz ORISVMFIVXLOGG-STQMWFEESA-N 2 1 265.376 2.336 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCC3(C1)OCCO3)C2 ZINC001169924408 811719278 /nfs/dbraw/zinc/71/92/78/811719278.db2.gz OQOKBSQPZLSVIN-YHUYYLMFSA-N 2 1 294.439 2.277 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCC3(C1)OCCO3)C2 ZINC001169924408 811719288 /nfs/dbraw/zinc/71/92/88/811719288.db2.gz OQOKBSQPZLSVIN-YHUYYLMFSA-N 2 1 294.439 2.277 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2ccnc3ccccc23)CC[C@@H]1F ZINC001206166826 815470159 /nfs/dbraw/zinc/47/01/59/815470159.db2.gz VLRREOQWQNKJMT-GJZGRUSLSA-N 2 1 273.355 2.496 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccnc3ccccc23)CC[C@@H]1F ZINC001206166826 815470161 /nfs/dbraw/zinc/47/01/61/815470161.db2.gz VLRREOQWQNKJMT-GJZGRUSLSA-N 2 1 273.355 2.496 20 0 CEADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169950933 811723067 /nfs/dbraw/zinc/72/30/67/811723067.db2.gz XNTCETIZXQRBTK-HNNXBMFYSA-N 2 1 282.428 2.088 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169950933 811723070 /nfs/dbraw/zinc/72/30/70/811723070.db2.gz XNTCETIZXQRBTK-HNNXBMFYSA-N 2 1 282.428 2.088 20 0 CEADMP CCCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046329697 811736711 /nfs/dbraw/zinc/73/67/11/811736711.db2.gz CLTAEKKBSPTGRH-UXLLHSPISA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046329697 811736716 /nfs/dbraw/zinc/73/67/16/811736716.db2.gz CLTAEKKBSPTGRH-UXLLHSPISA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046329697 811736721 /nfs/dbraw/zinc/73/67/21/811736721.db2.gz CLTAEKKBSPTGRH-UXLLHSPISA-N 2 1 295.471 2.097 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)C1 ZINC001172612067 815473151 /nfs/dbraw/zinc/47/31/51/815473151.db2.gz RBEBUQOVQSBHCC-XUWVNRHRSA-N 2 1 296.455 2.427 20 0 CEADMP CC(C)[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046741642 811809338 /nfs/dbraw/zinc/80/93/38/811809338.db2.gz KZNZBSOMRMXODC-KRWDZBQOSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1cnsc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206564475 811990013 /nfs/dbraw/zinc/99/00/13/811990013.db2.gz ONKZYOBRVBNLMH-ZDUSSCGKSA-N 2 1 253.415 2.402 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1C ZINC001206172613 815489136 /nfs/dbraw/zinc/48/91/36/815489136.db2.gz BEQINXXVVXKNPS-UONOGXRCSA-N 2 1 266.360 2.265 20 0 CEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206173100 815490466 /nfs/dbraw/zinc/49/04/66/815490466.db2.gz DVMBJHAEEFHXQA-KGLIPLIRSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206173100 815490471 /nfs/dbraw/zinc/49/04/71/815490471.db2.gz DVMBJHAEEFHXQA-KGLIPLIRSA-N 2 1 254.324 2.395 20 0 CEADMP Cn1c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc2ccccc21 ZINC001206173887 815495337 /nfs/dbraw/zinc/49/53/37/815495337.db2.gz KLZHQJSPGXHPJT-LSDHHAIUSA-N 2 1 275.371 2.440 20 0 CEADMP CC(C)CCC[C@H](C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001170067820 812039767 /nfs/dbraw/zinc/03/97/67/812039767.db2.gz DIALFKQELZRFGI-QWHCGFSZSA-N 2 1 253.390 2.133 20 0 CEADMP Cn1ccc2c1cccc2C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206174016 815496629 /nfs/dbraw/zinc/49/66/29/815496629.db2.gz LHMPXWRNVJXWKD-HUUCEWRRSA-N 2 1 275.371 2.440 20 0 CEADMP Cn1ccc2c1cccc2C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206174016 815496632 /nfs/dbraw/zinc/49/66/32/815496632.db2.gz LHMPXWRNVJXWKD-HUUCEWRRSA-N 2 1 275.371 2.440 20 0 CEADMP CC/C=C\CC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001112987259 812135509 /nfs/dbraw/zinc/13/55/09/812135509.db2.gz AVEBAPIPIJMFGK-PTZVLDCSSA-N 2 1 295.471 2.073 20 0 CEADMP CC(C)CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001113019541 812146576 /nfs/dbraw/zinc/14/65/76/812146576.db2.gz SNOWGALEOWEGTJ-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172767738 815513768 /nfs/dbraw/zinc/51/37/68/815513768.db2.gz KJPIUXLMKGRUEA-KBPBESRZSA-N 2 1 270.417 2.169 20 0 CEADMP C[N@H+]1CCC[C@H](NC(=[NH2+])c2ccc(F)c(F)c2)CC1 ZINC001254500174 812413144 /nfs/dbraw/zinc/41/31/44/812413144.db2.gz GTYZRXZWJLCHER-NSHDSACASA-N 2 1 267.323 2.364 20 0 CEADMP C[N@H+]1CCC[C@H]([NH+]2CCCC[C@](O)(C(F)(F)F)C2)CC1 ZINC001254515908 812431921 /nfs/dbraw/zinc/43/19/21/812431921.db2.gz GJWYMLSRTFSWPI-QWHCGFSZSA-N 2 1 294.361 2.250 20 0 CEADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)CC1 ZINC001254515908 812431925 /nfs/dbraw/zinc/43/19/25/812431925.db2.gz GJWYMLSRTFSWPI-QWHCGFSZSA-N 2 1 294.361 2.250 20 0 CEADMP C[NH+]1CCC[C@H]([N@H+]2CCCC[C@](O)(C(F)(F)F)C2)CC1 ZINC001254515908 812431927 /nfs/dbraw/zinc/43/19/27/812431927.db2.gz GJWYMLSRTFSWPI-QWHCGFSZSA-N 2 1 294.361 2.250 20 0 CEADMP CCOC(=O)C[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254518690 812434300 /nfs/dbraw/zinc/43/43/00/812434300.db2.gz DAPUATJIZFSJPK-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)C[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254518690 812434304 /nfs/dbraw/zinc/43/43/04/812434304.db2.gz DAPUATJIZFSJPK-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)C[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254518690 812434310 /nfs/dbraw/zinc/43/43/10/812434310.db2.gz DAPUATJIZFSJPK-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CCN(c3ccccc3)CC2)C[C@H]1[NH3+] ZINC001206053167 812470584 /nfs/dbraw/zinc/47/05/84/812470584.db2.gz MPHXUQYTRJRIIM-RHSMWYFYSA-N 2 1 273.424 2.182 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938309 812476027 /nfs/dbraw/zinc/47/60/27/812476027.db2.gz VHDZNGBXLWZUHT-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP COc1ccc2c(C)cc(N3CC[C@](F)(C[NH3+])C3)[nH+]c2c1 ZINC001157818028 812479850 /nfs/dbraw/zinc/47/98/50/812479850.db2.gz OZVGZQDBYDAHSF-INIZCTEOSA-N 2 1 289.354 2.429 20 0 CEADMP COc1cc(N2CC[C@@](F)(C[NH3+])C2)[nH+]c2ccccc21 ZINC001157818559 812481112 /nfs/dbraw/zinc/48/11/12/812481112.db2.gz SECLSPBZUKUBEK-OAHLLOKOSA-N 2 1 275.327 2.121 20 0 CEADMP CC(C)=CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129417461 812492920 /nfs/dbraw/zinc/49/29/20/812492920.db2.gz OMVOEXRUISFZMS-INIZCTEOSA-N 2 1 293.455 2.065 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130190003 812542498 /nfs/dbraw/zinc/54/24/98/812542498.db2.gz UWEDKHVFBPYUOA-HOTGVXAUSA-N 2 1 295.471 2.289 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170525055 812622613 /nfs/dbraw/zinc/62/26/13/812622613.db2.gz DRAOXVMTCNWFGF-KBUPBQIOSA-N 2 1 282.428 2.308 20 0 CEADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)C1 ZINC001170536354 812635736 /nfs/dbraw/zinc/63/57/36/812635736.db2.gz CTSMKCZTJMYUHF-KFWWJZLASA-N 2 1 282.428 2.169 20 0 CEADMP CC(C)C[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132111605 812790079 /nfs/dbraw/zinc/79/00/79/812790079.db2.gz UADNGLNFTKYASV-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132111605 812790084 /nfs/dbraw/zinc/79/00/84/812790084.db2.gz UADNGLNFTKYASV-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132111605 812790086 /nfs/dbraw/zinc/79/00/86/812790086.db2.gz UADNGLNFTKYASV-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC1CCCC1 ZINC001132266506 812813732 /nfs/dbraw/zinc/81/37/32/812813732.db2.gz XSQICKYIVIZPLS-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001100185859 812836854 /nfs/dbraw/zinc/83/68/54/812836854.db2.gz QHYVZLLIWGBWCW-UYSNPLJNSA-N 2 1 295.471 2.001 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409797 812843516 /nfs/dbraw/zinc/84/35/16/812843516.db2.gz FHLCNCNRKTWRCZ-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132409797 812843525 /nfs/dbraw/zinc/84/35/25/812843525.db2.gz FHLCNCNRKTWRCZ-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132409797 812843534 /nfs/dbraw/zinc/84/35/34/812843534.db2.gz FHLCNCNRKTWRCZ-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409795 812844691 /nfs/dbraw/zinc/84/46/91/812844691.db2.gz FHLCNCNRKTWRCZ-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132409795 812844702 /nfs/dbraw/zinc/84/47/02/812844702.db2.gz FHLCNCNRKTWRCZ-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132409795 812844710 /nfs/dbraw/zinc/84/47/10/812844710.db2.gz FHLCNCNRKTWRCZ-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132526264 812877753 /nfs/dbraw/zinc/87/77/53/812877753.db2.gz ZQVAYOKEJOOLDM-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132526259 812877770 /nfs/dbraw/zinc/87/77/70/812877770.db2.gz ZQVAYOKEJOOLDM-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548837 812886438 /nfs/dbraw/zinc/88/64/38/812886438.db2.gz KENPDKJMOIATIP-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206188330 815567237 /nfs/dbraw/zinc/56/72/37/815567237.db2.gz VGRUXQVEOSCXEE-LSDHHAIUSA-N 2 1 294.370 2.125 20 0 CEADMP C[C@H](COCc1ccccc1)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000390280900 813262279 /nfs/dbraw/zinc/26/22/79/813262279.db2.gz VEYSGWKSVBKJDR-HOCLYGCPSA-N 2 1 262.397 2.120 20 0 CEADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cnc1F ZINC001276384589 813290414 /nfs/dbraw/zinc/29/04/14/813290414.db2.gz KUMAZXVJIBDOOO-GASCZTMLSA-N 2 1 277.387 2.303 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cnc1F ZINC001276384589 813290419 /nfs/dbraw/zinc/29/04/19/813290419.db2.gz KUMAZXVJIBDOOO-GASCZTMLSA-N 2 1 277.387 2.303 20 0 CEADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cnc1F ZINC001276384589 813290425 /nfs/dbraw/zinc/29/04/25/813290425.db2.gz KUMAZXVJIBDOOO-GASCZTMLSA-N 2 1 277.387 2.303 20 0 CEADMP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773373 813322697 /nfs/dbraw/zinc/32/26/97/813322697.db2.gz ODHPRWCTNLOTFU-KBPBESRZSA-N 2 1 285.476 2.390 20 0 CEADMP C[N@@H+](CCOCc1ccccc1)C1CCC([NH3+])CC1 ZINC000393746252 813327623 /nfs/dbraw/zinc/32/76/23/813327623.db2.gz MIUZGVMGKREYPQ-UHFFFAOYSA-N 2 1 262.397 2.405 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CCC1CC1 ZINC001135437425 813435637 /nfs/dbraw/zinc/43/56/37/813435637.db2.gz SQHWWIUEHBJZIH-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP C([NH2+][C@H]1CCCC12CCC2)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000394812581 813454875 /nfs/dbraw/zinc/45/48/75/813454875.db2.gz PFSBEYTURAWZET-ILXRZTDVSA-N 2 1 264.413 2.162 20 0 CEADMP C([NH2+][C@H]1CCCC12CCC2)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000394812581 813454882 /nfs/dbraw/zinc/45/48/82/813454882.db2.gz PFSBEYTURAWZET-ILXRZTDVSA-N 2 1 264.413 2.162 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC1 ZINC001135979103 813577363 /nfs/dbraw/zinc/57/73/63/813577363.db2.gz CIGBUDIEUXAOHC-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC=C(C)C ZINC001135979547 813577487 /nfs/dbraw/zinc/57/74/87/813577487.db2.gz HGAGEDJQTWCZEU-HUUCEWRRSA-N 2 1 283.460 2.167 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(C)C ZINC001135995175 813581984 /nfs/dbraw/zinc/58/19/84/813581984.db2.gz ARDNRAFTOWBGMR-GJZGRUSLSA-N 2 1 285.476 2.247 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC1 ZINC001135995601 813583420 /nfs/dbraw/zinc/58/34/20/813583420.db2.gz IISNMVPSRLABSJ-LSDHHAIUSA-N 2 1 297.487 2.391 20 0 CEADMP CC(C)(C)SCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000397378897 813614251 /nfs/dbraw/zinc/61/42/51/813614251.db2.gz JLDSUKXOOSBMQF-JZRPKSSGSA-N 2 1 254.443 2.104 20 0 CEADMP [NH3+]CCC[C@@H]([NH3+])Nc1cc[nH+]c(C2(C(F)(F)F)CC2)c1 ZINC001170900684 813625806 /nfs/dbraw/zinc/62/58/06/813625806.db2.gz OEXJHXVSTGGLRE-NSHDSACASA-N 3 1 288.317 2.111 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001246121773 813707785 /nfs/dbraw/zinc/70/77/85/813707785.db2.gz SQYUCNZRCSOPOU-UONOGXRCSA-N 3 1 281.488 2.473 20 0 CEADMP CCC(C)(C)C1CCC([NH2+][C@@]2(CO)CC[NH2+]C2)CC1 ZINC001246288773 813761919 /nfs/dbraw/zinc/76/19/19/813761919.db2.gz NXIYZSAADSFXFY-XUJLQICISA-N 2 1 268.445 2.295 20 0 CEADMP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001246298286 813764316 /nfs/dbraw/zinc/76/43/16/813764316.db2.gz AFDACJDMDQPOJV-ZNMIVQPWSA-N 2 1 266.429 2.049 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001074059946 813801980 /nfs/dbraw/zinc/80/19/80/813801980.db2.gz GDFHPHKDMDUNFL-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H](CC(F)(F)F)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001255656280 813878864 /nfs/dbraw/zinc/87/88/64/813878864.db2.gz SNMDGQUPAWCIDC-CYBMUJFWSA-N 2 1 293.377 2.041 20 0 CEADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001246543843 813966084 /nfs/dbraw/zinc/96/60/84/813966084.db2.gz OGIHYTQHDMOZMW-BLYZHGLHSA-N 2 1 282.428 2.308 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)C[C@H](C)O1 ZINC001246548266 813992291 /nfs/dbraw/zinc/99/22/91/813992291.db2.gz JYHRUWWFUJTEGP-XJFOESAGSA-N 2 1 258.381 2.095 20 0 CEADMP C[C@@H]1CC([N@H+]2CCC[C@](F)(C[NH3+])CC2)C[C@@H](C)O1 ZINC001246548267 813992439 /nfs/dbraw/zinc/99/24/39/813992439.db2.gz JYHRUWWFUJTEGP-YRGRVCCFSA-N 2 1 258.381 2.095 20 0 CEADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246549556 813998914 /nfs/dbraw/zinc/99/89/14/813998914.db2.gz MMXOGGHDUHWERY-OAGGEKHMSA-N 3 1 283.435 2.062 20 0 CEADMP C[C@@]1([NH3+])CCC[N@H+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001246550192 813999729 /nfs/dbraw/zinc/99/97/29/813999729.db2.gz JHPFBUPQVACIJG-CZUORRHYSA-N 2 1 262.372 2.496 20 0 CEADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246567526 814063093 /nfs/dbraw/zinc/06/30/93/814063093.db2.gz LLWYHDVWDBWPQQ-GJZGRUSLSA-N 3 1 267.461 2.168 20 0 CEADMP CCCN1CCC([N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246567526 814063103 /nfs/dbraw/zinc/06/31/03/814063103.db2.gz LLWYHDVWDBWPQQ-GJZGRUSLSA-N 2 1 267.461 2.168 20 0 CEADMP CCCN1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246567526 814063114 /nfs/dbraw/zinc/06/31/14/814063114.db2.gz LLWYHDVWDBWPQQ-GJZGRUSLSA-N 2 1 267.461 2.168 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001255966082 814064235 /nfs/dbraw/zinc/06/42/35/814064235.db2.gz JQDQCFXAZXDNGA-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001255966082 814064241 /nfs/dbraw/zinc/06/42/41/814064241.db2.gz JQDQCFXAZXDNGA-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC001246579377 814141091 /nfs/dbraw/zinc/14/10/91/814141091.db2.gz DRJJZZONCIPGGY-HUUCEWRRSA-N 2 1 282.428 2.123 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]C[C@@H](C)CC)C1 ZINC001100898408 814202105 /nfs/dbraw/zinc/20/21/05/814202105.db2.gz DXCWJAKDPBGGCC-FHERZECASA-N 2 1 297.487 2.249 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001146711737 814312590 /nfs/dbraw/zinc/31/25/90/814312590.db2.gz VUGASHHPKRRJKB-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC001146711452 814312727 /nfs/dbraw/zinc/31/27/27/814312727.db2.gz SFWJMWXQOIMSRO-HOTGVXAUSA-N 2 1 297.487 2.250 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCC(C)C)C[C@H]1C ZINC001102525711 814392465 /nfs/dbraw/zinc/39/24/65/814392465.db2.gz RCZCKEGDMAAWTP-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C ZINC001102525711 814392471 /nfs/dbraw/zinc/39/24/71/814392471.db2.gz RCZCKEGDMAAWTP-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001102525711 814392481 /nfs/dbraw/zinc/39/24/81/814392481.db2.gz RCZCKEGDMAAWTP-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CCC1 ZINC001147359312 814428483 /nfs/dbraw/zinc/42/84/83/814428483.db2.gz NZZWOLSYWDFXJZ-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(C)C ZINC001147359393 814428755 /nfs/dbraw/zinc/42/87/55/814428755.db2.gz QKVAJRJIYTVJRK-HNNXBMFYSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]1 ZINC001246937171 814450657 /nfs/dbraw/zinc/45/06/57/814450657.db2.gz ZMCSIMUQVBNXCQ-VYDXJSESSA-N 3 1 279.472 2.371 20 0 CEADMP C[C@@H]1C[C@@H](N(C[C@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]1 ZINC001246937171 814450661 /nfs/dbraw/zinc/45/06/61/814450661.db2.gz ZMCSIMUQVBNXCQ-VYDXJSESSA-N 2 1 279.472 2.371 20 0 CEADMP F[C@@H]1CCC[N@H+](C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256688498 814554948 /nfs/dbraw/zinc/55/49/48/814554948.db2.gz CBQMBUPUJUSWOM-QQFBHYJXSA-N 2 1 284.419 2.454 20 0 CEADMP CCC/C=C/CC[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148571181 814580105 /nfs/dbraw/zinc/58/01/05/814580105.db2.gz ZJVAHSSOFDKFJE-BQYQJAHWSA-N 2 1 283.460 2.171 20 0 CEADMP [NH3+]CCc1c[nH+]cn1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171335766 814602667 /nfs/dbraw/zinc/60/26/67/814602667.db2.gz ALKFREHIQNVXPZ-LBPRGKRZSA-N 2 1 277.318 2.393 20 0 CEADMP CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115451003 814708909 /nfs/dbraw/zinc/70/89/09/814708909.db2.gz WVUQIXIBRXEBRV-OAHLLOKOSA-N 2 1 295.471 2.289 20 0 CEADMP C=C/C=C\CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000713744081 814870438 /nfs/dbraw/zinc/87/04/38/814870438.db2.gz AUTNRVTURJDKQS-DDKKJVIOSA-N 2 1 286.419 2.345 20 0 CEADMP C=C/C=C\CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000713744081 814870442 /nfs/dbraw/zinc/87/04/42/814870442.db2.gz AUTNRVTURJDKQS-DDKKJVIOSA-N 2 1 286.419 2.345 20 0 CEADMP Cn1ccc2c1[nH+]ccc2N1c2ccccc2OC[C@H]1C[NH3+] ZINC001171397264 814871180 /nfs/dbraw/zinc/87/11/80/814871180.db2.gz NWNLUDDYIFXKML-GFCCVEGCSA-N 2 1 294.358 2.431 20 0 CEADMP c1csc(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000714994160 814921123 /nfs/dbraw/zinc/92/11/23/814921123.db2.gz GODFUTJAEBZXHO-JSGCOSHPSA-N 2 1 250.411 2.365 20 0 CEADMP CC[C@@H]1CC[C@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)C1 ZINC001173267430 815645105 /nfs/dbraw/zinc/64/51/05/815645105.db2.gz LJNKHBMKKHIQLU-CABCVRRESA-N 3 1 255.450 2.168 20 0 CEADMP CC[C@@H]1CC[C@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)C1 ZINC001173267430 815645111 /nfs/dbraw/zinc/64/51/11/815645111.db2.gz LJNKHBMKKHIQLU-CABCVRRESA-N 3 1 255.450 2.168 20 0 CEADMP CCN1CC[C@@H]([NH2+]C2CCN(c3[nH+]cccc3C)CC2)C1 ZINC001173351137 815686378 /nfs/dbraw/zinc/68/63/78/815686378.db2.gz UDECQMRKRVJPBM-MRXNPFEDSA-N 2 1 288.439 2.043 20 0 CEADMP CC[N@H+]1CC[C@@H](n2cc(C[NH3+])c3c2cccc3OC)C1 ZINC001173354146 815694698 /nfs/dbraw/zinc/69/46/98/815694698.db2.gz WZJGCOADRDKWJM-CYBMUJFWSA-N 2 1 273.380 2.375 20 0 CEADMP CC[N@H+]1CC[C@@H](n2cnc(-c3ccc(C[NH3+])cc3)c2)C1 ZINC001173356300 815697382 /nfs/dbraw/zinc/69/73/82/815697382.db2.gz GLTPHRDNIWVQRJ-OAHLLOKOSA-N 2 1 270.380 2.276 20 0 CEADMP CC[N@H+]1CC[C@H](N2CCC3(CCC[NH+]3CC3CC3)CC2)C1 ZINC001173363159 815702372 /nfs/dbraw/zinc/70/23/72/815702372.db2.gz JAPLFRCKTFDOKJ-KRWDZBQOSA-N 2 1 291.483 2.421 20 0 CEADMP CC[NH+]1CC[C@H](N2CCC3(CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001173363159 815702375 /nfs/dbraw/zinc/70/23/75/815702375.db2.gz JAPLFRCKTFDOKJ-KRWDZBQOSA-N 2 1 291.483 2.421 20 0 CEADMP CC[NH+]1CC[C@H](N2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001173363159 815702378 /nfs/dbraw/zinc/70/23/78/815702378.db2.gz JAPLFRCKTFDOKJ-KRWDZBQOSA-N 2 1 291.483 2.421 20 0 CEADMP CC[N@H+]1CC[C@@H](N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001173365802 815706026 /nfs/dbraw/zinc/70/60/26/815706026.db2.gz OTPQUCVIEQHOIC-CEXWTWQISA-N 2 1 299.462 2.144 20 0 CEADMP CC[NH+]1CC[C@@H](N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001173365802 815706028 /nfs/dbraw/zinc/70/60/28/815706028.db2.gz OTPQUCVIEQHOIC-CEXWTWQISA-N 2 1 299.462 2.144 20 0 CEADMP CC[NH+]1CC[C@@H](N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001173365802 815706031 /nfs/dbraw/zinc/70/60/31/815706031.db2.gz OTPQUCVIEQHOIC-CEXWTWQISA-N 2 1 299.462 2.144 20 0 CEADMP CCN1CC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173365802 815706037 /nfs/dbraw/zinc/70/60/37/815706037.db2.gz OTPQUCVIEQHOIC-CEXWTWQISA-N 2 1 299.462 2.144 20 0 CEADMP CCN1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173365802 815706042 /nfs/dbraw/zinc/70/60/42/815706042.db2.gz OTPQUCVIEQHOIC-CEXWTWQISA-N 2 1 299.462 2.144 20 0 CEADMP CCN1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173365802 815706047 /nfs/dbraw/zinc/70/60/47/815706047.db2.gz OTPQUCVIEQHOIC-CEXWTWQISA-N 2 1 299.462 2.144 20 0 CEADMP CCN1CC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001173365802 815706065 /nfs/dbraw/zinc/70/60/65/815706065.db2.gz OTPQUCVIEQHOIC-CEXWTWQISA-N 2 1 299.462 2.144 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C2Cc3cc(F)c(F)cc3C2)C1 ZINC001173472163 815722883 /nfs/dbraw/zinc/72/28/83/815722883.db2.gz WVXLOSWJIAWWME-LLVKDONJSA-N 2 1 280.362 2.363 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc4nccnc34)C[C@H]2C1 ZINC001138308100 815764174 /nfs/dbraw/zinc/76/41/74/815764174.db2.gz YYSMIKBDUFDXMQ-HZPDHXFCSA-N 2 1 296.418 2.403 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001173639595 815786647 /nfs/dbraw/zinc/78/66/47/815786647.db2.gz HSMIMVZMDUDTOR-DZGCQCFKSA-N 2 1 294.439 2.325 20 0 CEADMP CNc1ncccc1CN(C(C)C)C1CC[NH+](C)CC1 ZINC001138696927 815872540 /nfs/dbraw/zinc/87/25/40/815872540.db2.gz MBNPOPHWHCAYIC-UHFFFAOYSA-N 2 1 276.428 2.428 20 0 CEADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)CC1CCC1 ZINC001139324989 816003464 /nfs/dbraw/zinc/00/34/64/816003464.db2.gz XEYYTZLFFXECTA-UHFFFAOYSA-N 2 1 294.468 2.127 20 0 CEADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)CC1CCC1 ZINC001139324989 816003470 /nfs/dbraw/zinc/00/34/70/816003470.db2.gz XEYYTZLFFXECTA-UHFFFAOYSA-N 2 1 294.468 2.127 20 0 CEADMP Cc1nccn1-c1ccccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001140025473 816169083 /nfs/dbraw/zinc/16/90/83/816169083.db2.gz AXSPKDOVLZCLNE-CALCHBBNSA-N 2 1 296.418 2.174 20 0 CEADMP Cc1nccn1-c1ccccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001140025473 816169086 /nfs/dbraw/zinc/16/90/86/816169086.db2.gz AXSPKDOVLZCLNE-CALCHBBNSA-N 2 1 296.418 2.174 20 0 CEADMP Cc1nccn1-c1ccccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001140025473 816169089 /nfs/dbraw/zinc/16/90/89/816169089.db2.gz AXSPKDOVLZCLNE-CALCHBBNSA-N 2 1 296.418 2.174 20 0 CEADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC001140025702 816169567 /nfs/dbraw/zinc/16/95/67/816169567.db2.gz SCTKBMMSCGROKL-KRWDZBQOSA-N 2 1 296.418 2.461 20 0 CEADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC001140025702 816169573 /nfs/dbraw/zinc/16/95/73/816169573.db2.gz SCTKBMMSCGROKL-KRWDZBQOSA-N 2 1 296.418 2.461 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4n[nH]cc4c3)C[C@@H]2C1 ZINC001140388717 816250745 /nfs/dbraw/zinc/25/07/45/816250745.db2.gz DCHSOXIERBVWDL-IYBDPMFKSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4n[nH]cc4c3)C[C@@H]2C1 ZINC001140388717 816250749 /nfs/dbraw/zinc/25/07/49/816250749.db2.gz DCHSOXIERBVWDL-IYBDPMFKSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4n[nH]cc4c3)C[C@@H]2C1 ZINC001140388717 816250755 /nfs/dbraw/zinc/25/07/55/816250755.db2.gz DCHSOXIERBVWDL-IYBDPMFKSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4n[nH]cc4c3)C[C@@H]2C1 ZINC001140388717 816250760 /nfs/dbraw/zinc/25/07/60/816250760.db2.gz DCHSOXIERBVWDL-IYBDPMFKSA-N 2 1 284.407 2.337 20 0 CEADMP Cc1ccc(F)cc1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001140594729 816296581 /nfs/dbraw/zinc/29/65/81/816296581.db2.gz LXUMTQCWUSPZIH-UHFFFAOYSA-N 2 1 293.430 2.203 20 0 CEADMP CC(C)N1CCOC[C@]2(CCC[N@H+](Cc3cc[nH]c3)C2)C1 ZINC001140706747 816328664 /nfs/dbraw/zinc/32/86/64/816328664.db2.gz JYQMZEZSEZMWHO-KRWDZBQOSA-N 2 1 291.439 2.338 20 0 CEADMP CC(C)N1CCOC[C@]2(CCC[N@@H+](Cc3cc[nH]c3)C2)C1 ZINC001140706747 816328673 /nfs/dbraw/zinc/32/86/73/816328673.db2.gz JYQMZEZSEZMWHO-KRWDZBQOSA-N 2 1 291.439 2.338 20 0 CEADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176165780 816358497 /nfs/dbraw/zinc/35/84/97/816358497.db2.gz ORTADNUIDYYYIE-GDBMZVCRSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563588 816441435 /nfs/dbraw/zinc/44/14/35/816441435.db2.gz FZSDRFSWHQDOEX-GDBMZVCRSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176760277 816473048 /nfs/dbraw/zinc/47/30/48/816473048.db2.gz STKJBFAXPJCHSC-HNNXBMFYSA-N 2 1 285.476 2.247 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCC[NH+](C)C ZINC001206285723 816489821 /nfs/dbraw/zinc/48/98/21/816489821.db2.gz GJYZXELYPWDGQQ-HOCLYGCPSA-N 2 1 262.397 2.085 20 0 CEADMP CC/C=C/CC[NH2+]CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001176857741 816491226 /nfs/dbraw/zinc/49/12/26/816491226.db2.gz ZWCOPNSKIAFKCQ-AXHPFZFWSA-N 2 1 295.471 2.311 20 0 CEADMP CC(C)CC[NH2+]CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001176857024 816491905 /nfs/dbraw/zinc/49/19/05/816491905.db2.gz PONAHDVGNBPJTB-GASCZTMLSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001176971873 816502996 /nfs/dbraw/zinc/50/29/96/816502996.db2.gz KDVZDDYXIAXJHX-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP CC[C@@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176986999 816503202 /nfs/dbraw/zinc/50/32/02/816503202.db2.gz YYJDHLSOFNQUSA-CABCVRRESA-N 2 1 283.460 2.003 20 0 CEADMP CC/C=C\CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176986399 816503748 /nfs/dbraw/zinc/50/37/48/816503748.db2.gz MXKTWXKCMJBINO-OGZRUICASA-N 2 1 295.471 2.313 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(-n4ccnc4)c3)C[C@@H]2C1 ZINC001141239276 816510919 /nfs/dbraw/zinc/51/09/19/816510919.db2.gz LVHAPSFDKFGWGS-SJORKVTESA-N 2 1 296.418 2.256 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(-n4ccnc4)c3)C[C@@H]2C1 ZINC001141239276 816510923 /nfs/dbraw/zinc/51/09/23/816510923.db2.gz LVHAPSFDKFGWGS-SJORKVTESA-N 2 1 296.418 2.256 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(-n4ccnc4)c3)C[C@@H]2C1 ZINC001141239276 816510925 /nfs/dbraw/zinc/51/09/25/816510925.db2.gz LVHAPSFDKFGWGS-SJORKVTESA-N 2 1 296.418 2.256 20 0 CEADMP CN(C)c1cccc(C[N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)c1 ZINC001141270489 816517355 /nfs/dbraw/zinc/51/73/55/816517355.db2.gz YTUHZTNNBGKHDU-NVXWUHKLSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1cccc(CN2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c1 ZINC001141270489 816517357 /nfs/dbraw/zinc/51/73/57/816517357.db2.gz YTUHZTNNBGKHDU-NVXWUHKLSA-N 2 1 273.424 2.279 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(F)n2)CC1 ZINC001206311125 816654345 /nfs/dbraw/zinc/65/43/45/816654345.db2.gz JIFHXYAUOGQJLO-CQSZACIVSA-N 2 1 251.349 2.172 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccn4ccnc34)C2)CC1 ZINC001142961089 816762257 /nfs/dbraw/zinc/76/22/57/816762257.db2.gz DXPRZRDHMIJWOA-UHFFFAOYSA-N 2 1 284.407 2.252 20 0 CEADMP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001179337511 816856128 /nfs/dbraw/zinc/85/61/28/816856128.db2.gz PMLIYEDMMYDXKZ-JYJNAYRXSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179592495 816881252 /nfs/dbraw/zinc/88/12/52/816881252.db2.gz DRDRMZMFRZBFRV-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@H+]1CCC[NH+]1CCCC1 ZINC000124657460 187147947 /nfs/dbraw/zinc/14/79/47/187147947.db2.gz SOKYOHRMDZSRBD-YESZJQIVSA-N 2 1 280.456 2.488 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000449121449 282107658 /nfs/dbraw/zinc/10/76/58/282107658.db2.gz HRFFVVDQCSQBFZ-UONOGXRCSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000567639062 299069801 /nfs/dbraw/zinc/06/98/01/299069801.db2.gz PMGFDMJSKPYAER-ZDUSSCGKSA-N 2 1 298.452 2.129 20 0 CEADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000035009527 361802380 /nfs/dbraw/zinc/80/23/80/361802380.db2.gz DGGBHVZLXHGDEO-GOSISDBHSA-N 2 1 287.451 2.335 20 0 CEADMP CCN1CCC([N@H+](C)CCc2csc(C)n2)CC1 ZINC000124953620 187162958 /nfs/dbraw/zinc/16/29/58/187162958.db2.gz MUNBUDMHBAGBHR-UHFFFAOYSA-N 2 1 267.442 2.410 20 0 CEADMP CCN1CCC([N@@H+](C)CCc2csc(C)n2)CC1 ZINC000124953620 187162959 /nfs/dbraw/zinc/16/29/59/187162959.db2.gz MUNBUDMHBAGBHR-UHFFFAOYSA-N 2 1 267.442 2.410 20 0 CEADMP COc1ncccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000096071775 185086805 /nfs/dbraw/zinc/08/68/05/185086805.db2.gz JZJYQJQXNUZNKF-UHFFFAOYSA-N 2 1 289.423 2.398 20 0 CEADMP CCn1nccc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000125125853 365667120 /nfs/dbraw/zinc/66/71/20/365667120.db2.gz POSNXFKEAJMGAC-CQSZACIVSA-N 2 1 264.417 2.257 20 0 CEADMP CCn1nccc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000125125853 365667125 /nfs/dbraw/zinc/66/71/25/365667125.db2.gz POSNXFKEAJMGAC-CQSZACIVSA-N 2 1 264.417 2.257 20 0 CEADMP COC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000125189579 187174458 /nfs/dbraw/zinc/17/44/58/187174458.db2.gz HDSFONOCDGOERV-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP CCOC(=O)c1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[nH]c1C ZINC000449175170 282131123 /nfs/dbraw/zinc/13/11/23/282131123.db2.gz QPXMYFFURRPYJK-DGCLKSJQSA-N 2 1 293.411 2.072 20 0 CEADMP CCOC(=O)c1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[nH]c1C ZINC000449175170 282131126 /nfs/dbraw/zinc/13/11/26/282131126.db2.gz QPXMYFFURRPYJK-DGCLKSJQSA-N 2 1 293.411 2.072 20 0 CEADMP C[N@@H+](CCCOc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000036300827 361839681 /nfs/dbraw/zinc/83/96/81/361839681.db2.gz SFVXDFOQLHKYOT-UHFFFAOYSA-N 2 1 266.360 2.278 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCOCC1CC1 ZINC000036908345 361870523 /nfs/dbraw/zinc/87/05/23/361870523.db2.gz WMLBMJCYDJTXSS-NFAWXSAZSA-N 2 1 254.418 2.121 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000279668275 282147548 /nfs/dbraw/zinc/14/75/48/282147548.db2.gz FIPBNIRUEPQFBW-INIZCTEOSA-N 2 1 287.407 2.314 20 0 CEADMP Cc1csc(C[NH2+]CCCn2cc[nH+]c2C)n1 ZINC000337950809 214327480 /nfs/dbraw/zinc/32/74/80/214327480.db2.gz NTYQRNNBNFZWOC-UHFFFAOYSA-N 2 1 250.371 2.136 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000037825977 361950754 /nfs/dbraw/zinc/95/07/54/361950754.db2.gz FKWFGBAHVRMPFA-INIZCTEOSA-N 2 1 297.487 2.330 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@](C)([NH3+])CCC)CC1 ZINC000037825995 361951127 /nfs/dbraw/zinc/95/11/27/361951127.db2.gz LUEOXRWFLSQWCS-QGZVFWFLSA-N 2 1 297.487 2.474 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000037825963 361951299 /nfs/dbraw/zinc/95/12/99/361951299.db2.gz UCHSSLPGBJJATM-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000449245144 282157277 /nfs/dbraw/zinc/15/72/77/282157277.db2.gz YSFKMNAFULBVHZ-SUMWQHHRSA-N 2 1 288.391 2.020 20 0 CEADMP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000449245144 282157280 /nfs/dbraw/zinc/15/72/80/282157280.db2.gz YSFKMNAFULBVHZ-SUMWQHHRSA-N 2 1 288.391 2.020 20 0 CEADMP CO[C@@]1(C)C[C@H]([NH2+]CCCn2cc[nH+]c2C)C1(C)C ZINC000338018989 214363671 /nfs/dbraw/zinc/36/36/71/214363671.db2.gz NTXFDOOKBKALOB-ZFWWWQNUSA-N 2 1 265.401 2.375 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCOC3(CCC3)C2)CCCO1 ZINC000449283793 282170979 /nfs/dbraw/zinc/17/09/79/282170979.db2.gz MPPAJWAXBNYCOM-CVEARBPZSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@H](Cc1ccoc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000449281876 282170446 /nfs/dbraw/zinc/17/04/46/282170446.db2.gz FVYLFNVAIPVKLT-HUUCEWRRSA-N 2 1 280.412 2.301 20 0 CEADMP C[C@H](Cc1ccoc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000449281876 282170449 /nfs/dbraw/zinc/17/04/49/282170449.db2.gz FVYLFNVAIPVKLT-HUUCEWRRSA-N 2 1 280.412 2.301 20 0 CEADMP CCC(CC)[N@@H+](CCN1CC[NH2+]CC1)CC(C)C ZINC000093309097 282180604 /nfs/dbraw/zinc/18/06/04/282180604.db2.gz YVPWMCCDZUTPLV-UHFFFAOYSA-N 2 1 255.450 2.038 20 0 CEADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CCC1 ZINC000449305843 282180737 /nfs/dbraw/zinc/18/07/37/282180737.db2.gz UQOHYZHHXBIVPE-HNNXBMFYSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000449307490 282181015 /nfs/dbraw/zinc/18/10/15/282181015.db2.gz ZWOQWLYNBJIJLM-OAGGEKHMSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@H]1CSCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123983649 539179896 /nfs/dbraw/zinc/17/98/96/539179896.db2.gz QTUCXTWWYDWCBU-LBPRGKRZSA-N 2 1 262.422 2.270 20 0 CEADMP COC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668588361 539204825 /nfs/dbraw/zinc/20/48/25/539204825.db2.gz YVJACOKEKLOOHN-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP COC[C@H](C)C[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668588361 539204827 /nfs/dbraw/zinc/20/48/27/539204827.db2.gz YVJACOKEKLOOHN-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCCOc1ccc(F)cc1)C2 ZINC000621778918 349700516 /nfs/dbraw/zinc/70/05/16/349700516.db2.gz XCWBGPFNKNIWCF-XJKSGUPXSA-N 2 1 278.371 2.408 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCCOc1ccc(F)cc1)C2 ZINC000621778918 349700518 /nfs/dbraw/zinc/70/05/18/349700518.db2.gz XCWBGPFNKNIWCF-XJKSGUPXSA-N 2 1 278.371 2.408 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1)C1CCCC1 ZINC000621784430 349701628 /nfs/dbraw/zinc/70/16/28/349701628.db2.gz OSVPJJFLHUSSOJ-ZNMIVQPWSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]CC[C@H]1CCOC1 ZINC000668617338 539215276 /nfs/dbraw/zinc/21/52/76/539215276.db2.gz YIIGGCAFIJFQKU-GJZGRUSLSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000396824690 539217693 /nfs/dbraw/zinc/21/76/93/539217693.db2.gz FBEKIWFKOKHWJB-GJZGRUSLSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)C[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000396824690 539217694 /nfs/dbraw/zinc/21/76/94/539217694.db2.gz FBEKIWFKOKHWJB-GJZGRUSLSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)C[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000396824690 539217695 /nfs/dbraw/zinc/21/76/95/539217695.db2.gz FBEKIWFKOKHWJB-GJZGRUSLSA-N 2 1 256.434 2.198 20 0 CEADMP CSc1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428031161 539254804 /nfs/dbraw/zinc/25/48/04/539254804.db2.gz GDALIKJBSDIDSR-CJNGLKHVSA-N 2 1 292.448 2.471 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428031161 539254806 /nfs/dbraw/zinc/25/48/06/539254806.db2.gz GDALIKJBSDIDSR-CJNGLKHVSA-N 2 1 292.448 2.471 20 0 CEADMP C[C@@H](Cc1ccsc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668740577 539256022 /nfs/dbraw/zinc/25/60/22/539256022.db2.gz VWLDBOHDOPJNNF-BBRMVZONSA-N 2 1 294.464 2.210 20 0 CEADMP C[C@@H](Cc1ccsc1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668740577 539256023 /nfs/dbraw/zinc/25/60/23/539256023.db2.gz VWLDBOHDOPJNNF-BBRMVZONSA-N 2 1 294.464 2.210 20 0 CEADMP C[NH+](C)C1CC[NH+](CCN2CCCc3ccccc32)CC1 ZINC000131173349 539259275 /nfs/dbraw/zinc/25/92/75/539259275.db2.gz QAKAFNNCWABTHR-UHFFFAOYSA-N 2 1 287.451 2.465 20 0 CEADMP Clc1ccccc1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000622022416 349772623 /nfs/dbraw/zinc/77/26/23/349772623.db2.gz LXVPGTZIFGTMFQ-BETUJISGSA-N 2 1 250.773 2.034 20 0 CEADMP Clc1ccccc1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000622022416 349772627 /nfs/dbraw/zinc/77/26/27/349772627.db2.gz LXVPGTZIFGTMFQ-BETUJISGSA-N 2 1 250.773 2.034 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000622096806 349788007 /nfs/dbraw/zinc/78/80/07/349788007.db2.gz CCISNYUNXVRNOY-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCCO1 ZINC000311244309 539282674 /nfs/dbraw/zinc/28/26/74/539282674.db2.gz ZKEHFACXTGQRMU-MNFFZHCASA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCO1 ZINC000311244309 539282676 /nfs/dbraw/zinc/28/26/76/539282676.db2.gz ZKEHFACXTGQRMU-MNFFZHCASA-N 2 1 252.402 2.159 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000312064235 539287187 /nfs/dbraw/zinc/28/71/87/539287187.db2.gz JYGMHHONWOFROK-HOTGVXAUSA-N 2 1 268.445 2.390 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CCCCC1 ZINC000312064235 539287189 /nfs/dbraw/zinc/28/71/89/539287189.db2.gz JYGMHHONWOFROK-HOTGVXAUSA-N 2 1 268.445 2.390 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000361154641 282250419 /nfs/dbraw/zinc/25/04/19/282250419.db2.gz QHGVKBWGLUAXLF-LSDHHAIUSA-N 2 1 299.422 2.100 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCn2cc[nH+]c2C)o1 ZINC000052120006 343556685 /nfs/dbraw/zinc/55/66/85/343556685.db2.gz TWNKPVNEUIPESC-UHFFFAOYSA-N 2 1 285.351 2.273 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000601969948 346946411 /nfs/dbraw/zinc/94/64/11/346946411.db2.gz HKMGLFPBDFOXRG-LBPRGKRZSA-N 2 1 294.395 2.324 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+](CC1CCCCC1)C1CC1)C1CC1 ZINC000351293825 219089568 /nfs/dbraw/zinc/08/95/68/219089568.db2.gz XZRVDZORESVXGN-KRWDZBQOSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+](CC1CCCCC1)C1CC1)C1CC1 ZINC000351293825 219089569 /nfs/dbraw/zinc/08/95/69/219089569.db2.gz XZRVDZORESVXGN-KRWDZBQOSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](CC1CCCCC1)C1CC1)C1CC1 ZINC000351293825 219089571 /nfs/dbraw/zinc/08/95/71/219089571.db2.gz XZRVDZORESVXGN-KRWDZBQOSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](CC1CCCCC1)C1CC1)C1CC1 ZINC000351293825 219089572 /nfs/dbraw/zinc/08/95/72/219089572.db2.gz XZRVDZORESVXGN-KRWDZBQOSA-N 2 1 280.456 2.486 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127946011 365769548 /nfs/dbraw/zinc/76/95/48/365769548.db2.gz UMYVSJOCZFYHPY-OWCLPIDISA-N 2 1 265.445 2.077 20 0 CEADMP O[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4nccn43)CC[C@@H]2C1 ZINC000449557790 282282589 /nfs/dbraw/zinc/28/25/89/282282589.db2.gz VFBABGSLPDPWNP-IIAWOOMASA-N 2 1 285.391 2.317 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3cnn(C)c3)CC2)[nH+]1 ZINC000128147731 365777437 /nfs/dbraw/zinc/77/74/37/365777437.db2.gz WFCALRLTNIWVLB-CQSZACIVSA-N 2 1 299.422 2.443 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCOC2)C[C@H]1C ZINC000336724358 365787210 /nfs/dbraw/zinc/78/72/10/365787210.db2.gz ZXHOXAMIEAGIOC-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP Cc1cc(C)n(CCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000128409783 365788613 /nfs/dbraw/zinc/78/86/13/365788613.db2.gz WBSCJTICRSGZJA-JGGQBBKZSA-N 2 1 278.444 2.208 20 0 CEADMP CC(C)[N@H+](C)CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000066045394 343706603 /nfs/dbraw/zinc/70/66/03/343706603.db2.gz HFUSUJCFKKGNGS-MRXNPFEDSA-N 2 1 291.439 2.136 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000066045394 343706605 /nfs/dbraw/zinc/70/66/05/343706605.db2.gz HFUSUJCFKKGNGS-MRXNPFEDSA-N 2 1 291.439 2.136 20 0 CEADMP CC[NH+](CC)[C@H](C(=O)NCC[N@H+](C)CC)c1ccccc1 ZINC000067483164 343737455 /nfs/dbraw/zinc/73/74/55/343737455.db2.gz XCYMNYQMRWKVIK-INIZCTEOSA-N 2 1 291.439 2.137 20 0 CEADMP CCc1nc(C[NH2+]CCCn2cc[nH+]c2C)cs1 ZINC000067214540 343731704 /nfs/dbraw/zinc/73/17/04/343731704.db2.gz TWYMVNBMZLUDBU-UHFFFAOYSA-N 2 1 264.398 2.390 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2ccncc2)C1 ZINC000351512574 219111205 /nfs/dbraw/zinc/11/12/05/219111205.db2.gz GTIUUFHEJMSOIY-KRWDZBQOSA-N 2 1 273.424 2.288 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2ccncc2)C1 ZINC000351512574 219111207 /nfs/dbraw/zinc/11/12/07/219111207.db2.gz GTIUUFHEJMSOIY-KRWDZBQOSA-N 2 1 273.424 2.288 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2ccncc2)C1 ZINC000351512574 219111210 /nfs/dbraw/zinc/11/12/10/219111210.db2.gz GTIUUFHEJMSOIY-KRWDZBQOSA-N 2 1 273.424 2.288 20 0 CEADMP CC[NH+](CC)[C@H](C)CNc1cc[nH+]cc1Br ZINC000336778288 365798266 /nfs/dbraw/zinc/79/82/66/365798266.db2.gz KYQDAKSHHOZWKA-SNVBAGLBSA-N 2 1 286.217 2.408 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCc2ccncc2)C1 ZINC000351522130 219115417 /nfs/dbraw/zinc/11/54/17/219115417.db2.gz WXUFRGBTLWCJIL-QGZVFWFLSA-N 2 1 291.439 2.057 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC(C)C)C[C@H]1C ZINC000336783912 365799035 /nfs/dbraw/zinc/79/90/35/365799035.db2.gz JAJFTBKOQOEVBY-HUUCEWRRSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC(C)C)C[C@H]1C ZINC000336783912 365799041 /nfs/dbraw/zinc/79/90/41/365799041.db2.gz JAJFTBKOQOEVBY-HUUCEWRRSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC(C)C)C[C@H]1C ZINC000336783912 365799045 /nfs/dbraw/zinc/79/90/45/365799045.db2.gz JAJFTBKOQOEVBY-HUUCEWRRSA-N 2 1 256.434 2.464 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)N2CCC[C@@H]2C)CC1 ZINC000075681799 343862481 /nfs/dbraw/zinc/86/24/81/343862481.db2.gz JUDZRRJZGRVKEP-HNNXBMFYSA-N 2 1 295.471 2.192 20 0 CEADMP C[NH2+]C1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000079093104 343973580 /nfs/dbraw/zinc/97/35/80/343973580.db2.gz GXAYZFGGTMEJBQ-UHFFFAOYSA-N 2 1 266.360 2.278 20 0 CEADMP COc1cccc(COCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000090806515 344143765 /nfs/dbraw/zinc/14/37/65/344143765.db2.gz OENNCIUZKSKZRV-PBHICJAKSA-N 2 1 292.423 2.142 20 0 CEADMP CCOC(=O)C1(C)CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000092837252 344205211 /nfs/dbraw/zinc/20/52/11/344205211.db2.gz QFEXYNQVPIUDRW-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)C1(C)CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000092837252 344205213 /nfs/dbraw/zinc/20/52/13/344205213.db2.gz QFEXYNQVPIUDRW-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])CC)c2C1 ZINC000130428578 344352810 /nfs/dbraw/zinc/35/28/10/344352810.db2.gz OGVBXSXVIKRVBG-CYBMUJFWSA-N 2 1 261.369 2.088 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])CC)c2C1 ZINC000130428578 344352811 /nfs/dbraw/zinc/35/28/11/344352811.db2.gz OGVBXSXVIKRVBG-CYBMUJFWSA-N 2 1 261.369 2.088 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CC[C@H](C)O2)CC1 ZINC000336784270 365801350 /nfs/dbraw/zinc/80/13/50/365801350.db2.gz NWRJCYMGNFXSLG-DZGCQCFKSA-N 2 1 254.418 2.359 20 0 CEADMP CCCn1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000227285923 344552603 /nfs/dbraw/zinc/55/26/03/344552603.db2.gz QKGGPVJBTHKJKE-CQSZACIVSA-N 2 1 264.417 2.113 20 0 CEADMP CCCn1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000227285923 344552604 /nfs/dbraw/zinc/55/26/04/344552604.db2.gz QKGGPVJBTHKJKE-CQSZACIVSA-N 2 1 264.417 2.113 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000228596407 344561624 /nfs/dbraw/zinc/56/16/24/344561624.db2.gz PMKJTVLAWMIPNW-GFCCVEGCSA-N 2 1 278.371 2.408 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000228596407 344561626 /nfs/dbraw/zinc/56/16/26/344561626.db2.gz PMKJTVLAWMIPNW-GFCCVEGCSA-N 2 1 278.371 2.408 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000050247256 362413131 /nfs/dbraw/zinc/41/31/31/362413131.db2.gz CRXIWNUNBYJFIO-LLVKDONJSA-N 2 1 299.212 2.109 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2occc21 ZINC000248749407 344625107 /nfs/dbraw/zinc/62/51/07/344625107.db2.gz BOXRVENKXKAFMD-GOEBONIOSA-N 2 1 292.423 2.484 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000308635983 344728056 /nfs/dbraw/zinc/72/80/56/344728056.db2.gz PWZKASHIIWSKSP-KBPBESRZSA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000312270362 344737752 /nfs/dbraw/zinc/73/77/52/344737752.db2.gz MLQRPRHOUFKARG-UPJWGTAASA-N 2 1 294.361 2.416 20 0 CEADMP OC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000386160764 344831190 /nfs/dbraw/zinc/83/11/90/344831190.db2.gz KWAPHCCOQSYGCU-INIZCTEOSA-N 2 1 266.429 2.144 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000404379872 344879825 /nfs/dbraw/zinc/87/98/25/344879825.db2.gz LVTXUFGTOCOQIN-XJKSGUPXSA-N 2 1 290.407 2.423 20 0 CEADMP CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H](C)OC ZINC000668183764 539435978 /nfs/dbraw/zinc/43/59/78/539435978.db2.gz OOPFZLZLQRNQLH-CYBMUJFWSA-N 2 1 274.368 2.124 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2nccs2)C[C@H](C)O1 ZINC000589646164 345092307 /nfs/dbraw/zinc/09/23/07/345092307.db2.gz KZPXSQZDIKJGFD-BETUJISGSA-N 2 1 283.441 2.122 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589646973 345092588 /nfs/dbraw/zinc/09/25/88/345092588.db2.gz UBVWGSQMKZFPLG-ZDUSSCGKSA-N 2 1 272.396 2.383 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589646973 345092591 /nfs/dbraw/zinc/09/25/91/345092591.db2.gz UBVWGSQMKZFPLG-ZDUSSCGKSA-N 2 1 272.396 2.383 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593314921 345465553 /nfs/dbraw/zinc/46/55/53/345465553.db2.gz HVGARWWJQAOQBA-CHWSQXEVSA-N 2 1 270.417 2.025 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(F)c(F)c1F ZINC000623085781 349933661 /nfs/dbraw/zinc/93/36/61/349933661.db2.gz FEZBVZDTNVLSGJ-UHFFFAOYSA-N 2 1 269.270 2.170 20 0 CEADMP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000594917035 345700590 /nfs/dbraw/zinc/70/05/90/345700590.db2.gz FYGDURINKYEODX-VHDGCEQUSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000594917035 345700591 /nfs/dbraw/zinc/70/05/91/345700591.db2.gz FYGDURINKYEODX-VHDGCEQUSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000595020911 345728679 /nfs/dbraw/zinc/72/86/79/345728679.db2.gz VPGDGUDUWSCJQL-KBPBESRZSA-N 2 1 284.444 2.286 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)CC1 ZINC000595063343 345737925 /nfs/dbraw/zinc/73/79/25/345737925.db2.gz QLFMJBFONTTZON-CLCXKQKWSA-N 2 1 286.485 2.140 20 0 CEADMP CCC[C@H]([NH3+])c1cn(Cc2[nH+]cc(C)c(OC)c2C)nn1 ZINC000229965197 539496517 /nfs/dbraw/zinc/49/65/17/539496517.db2.gz GRADVGHOMTWHNF-LBPRGKRZSA-N 2 1 289.383 2.147 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cs1 ZINC000595891364 345907583 /nfs/dbraw/zinc/90/75/83/345907583.db2.gz CTFNEAFQRISKIJ-MDZLAQPJSA-N 2 1 296.436 2.340 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cs1 ZINC000595891364 345907587 /nfs/dbraw/zinc/90/75/87/345907587.db2.gz CTFNEAFQRISKIJ-MDZLAQPJSA-N 2 1 296.436 2.340 20 0 CEADMP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(F)cn1 ZINC000336787288 365807780 /nfs/dbraw/zinc/80/77/80/365807780.db2.gz DVCVRJBMTQISMZ-AAEUAGOBSA-N 2 1 253.365 2.459 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]CCCN1CCC(C)CC1 ZINC000336788266 365808847 /nfs/dbraw/zinc/80/88/47/365808847.db2.gz GTRBBHFLJNHKJX-OAHLLOKOSA-N 2 1 255.450 2.216 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000874840908 649849157 /nfs/dbraw/zinc/84/91/57/649849157.db2.gz RWSRYZCCGTXERY-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874840908 649849160 /nfs/dbraw/zinc/84/91/60/649849160.db2.gz RWSRYZCCGTXERY-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874840908 649849163 /nfs/dbraw/zinc/84/91/63/649849163.db2.gz RWSRYZCCGTXERY-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336788036 365808912 /nfs/dbraw/zinc/80/89/12/365808912.db2.gz GHNUUHZUACCKKS-HUUCEWRRSA-N 2 1 254.418 2.096 20 0 CEADMP CCC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336788036 365808916 /nfs/dbraw/zinc/80/89/16/365808916.db2.gz GHNUUHZUACCKKS-HUUCEWRRSA-N 2 1 254.418 2.096 20 0 CEADMP CCC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336788036 365808924 /nfs/dbraw/zinc/80/89/24/365808924.db2.gz GHNUUHZUACCKKS-HUUCEWRRSA-N 2 1 254.418 2.096 20 0 CEADMP CCC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336788036 365808931 /nfs/dbraw/zinc/80/89/31/365808931.db2.gz GHNUUHZUACCKKS-HUUCEWRRSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C[NH+]1CCCC1 ZINC000062078518 362704961 /nfs/dbraw/zinc/70/49/61/362704961.db2.gz ZUDLNWMISOZCCK-LVQVYYBASA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C[NH+]1CCCC1 ZINC000062078518 362704963 /nfs/dbraw/zinc/70/49/63/362704963.db2.gz ZUDLNWMISOZCCK-LVQVYYBASA-N 3 1 267.461 2.037 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C[NH+]1CCCC1 ZINC000062078518 362704967 /nfs/dbraw/zinc/70/49/67/362704967.db2.gz ZUDLNWMISOZCCK-LVQVYYBASA-N 3 1 267.461 2.037 20 0 CEADMP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1C ZINC000568269227 299131953 /nfs/dbraw/zinc/13/19/53/299131953.db2.gz CPYJATVUOYEWLW-DZGCQCFKSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1C ZINC000568269227 299131954 /nfs/dbraw/zinc/13/19/54/299131954.db2.gz CPYJATVUOYEWLW-DZGCQCFKSA-N 2 1 290.455 2.471 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(CC(=O)OC)CC2)C1 ZINC000599026766 346448264 /nfs/dbraw/zinc/44/82/64/346448264.db2.gz YZPIGLUSZKMLSZ-HWOWSKLDSA-N 2 1 296.455 2.430 20 0 CEADMP Cc1[nH+]ccn1CCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000336820165 365866949 /nfs/dbraw/zinc/86/69/49/365866949.db2.gz BYQBZFDCSVSTCF-MRXNPFEDSA-N 2 1 276.428 2.142 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336821327 365870059 /nfs/dbraw/zinc/87/00/59/365870059.db2.gz HKLZMBNYRCJBOJ-HOTGVXAUSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336821327 365870062 /nfs/dbraw/zinc/87/00/62/365870062.db2.gz HKLZMBNYRCJBOJ-HOTGVXAUSA-N 2 1 277.412 2.473 20 0 CEADMP CC[N@H+]1CC[C@H](NCC2(C[NH+](C)C)CCCC2)[C@H](C)C1 ZINC000129472623 365862685 /nfs/dbraw/zinc/86/26/85/365862685.db2.gz GBFZEIJLYXZTRS-CVEARBPZSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)[C@H](C)C1 ZINC000129472623 365862694 /nfs/dbraw/zinc/86/26/94/365862694.db2.gz GBFZEIJLYXZTRS-CVEARBPZSA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)[C@H](C)C1 ZINC000129472623 365862701 /nfs/dbraw/zinc/86/27/01/365862701.db2.gz GBFZEIJLYXZTRS-CVEARBPZSA-N 3 1 281.488 2.428 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)[nH]1 ZINC000602658413 347127631 /nfs/dbraw/zinc/12/76/31/347127631.db2.gz WRAQUZJYAGWWGK-CYBMUJFWSA-N 2 1 293.411 2.011 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)[nH]1 ZINC000602658413 347127632 /nfs/dbraw/zinc/12/76/32/347127632.db2.gz WRAQUZJYAGWWGK-CYBMUJFWSA-N 2 1 293.411 2.011 20 0 CEADMP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000528009661 313224308 /nfs/dbraw/zinc/22/43/08/313224308.db2.gz WRVJLEKURSLTBY-OHTBPHCPSA-N 2 1 252.402 2.015 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c(C)s1 ZINC000603434476 347369494 /nfs/dbraw/zinc/36/94/94/347369494.db2.gz QOGDCYRJAQGEPS-VXGBXAGGSA-N 2 1 282.409 2.059 20 0 CEADMP C[C@@H](F)CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000351834082 219220420 /nfs/dbraw/zinc/22/04/20/219220420.db2.gz KCHNMAPACKIMJB-WBVHZDCISA-N 2 1 294.414 2.303 20 0 CEADMP C[C@@H](F)CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000351834082 219220422 /nfs/dbraw/zinc/22/04/22/219220422.db2.gz KCHNMAPACKIMJB-WBVHZDCISA-N 2 1 294.414 2.303 20 0 CEADMP C[C@@H](F)CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000351834082 219220425 /nfs/dbraw/zinc/22/04/25/219220425.db2.gz KCHNMAPACKIMJB-WBVHZDCISA-N 2 1 294.414 2.303 20 0 CEADMP C[C@@H](F)CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000351834082 219220428 /nfs/dbraw/zinc/22/04/28/219220428.db2.gz KCHNMAPACKIMJB-WBVHZDCISA-N 2 1 294.414 2.303 20 0 CEADMP O=C(Nc1ccc2nccn2c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000606583373 347482174 /nfs/dbraw/zinc/48/21/74/347482174.db2.gz YQFBNAVYGSHJIU-ZIAGYGMSSA-N 2 1 299.378 2.083 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCn2cnc3ccccc32)CC[N@H+]1C ZINC000129791492 365894913 /nfs/dbraw/zinc/89/49/13/365894913.db2.gz IEJJZGQUDXLIMX-GJZGRUSLSA-N 2 1 286.423 2.499 20 0 CEADMP C[C@H]1CC[N@H+](Cc2cn3cccnc3n2)C[C@@H]1n1ccnc1 ZINC000129859091 365900379 /nfs/dbraw/zinc/90/03/79/365900379.db2.gz XQPFUAIWYIAXQF-ZFWWWQNUSA-N 2 1 296.378 2.009 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cn3cccnc3n2)C[C@@H]1n1ccnc1 ZINC000129859091 365900381 /nfs/dbraw/zinc/90/03/81/365900381.db2.gz XQPFUAIWYIAXQF-ZFWWWQNUSA-N 2 1 296.378 2.009 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccccc2)C[C@@H]1C ZINC000336840317 365911946 /nfs/dbraw/zinc/91/19/46/365911946.db2.gz WLPUIMGKVVDIOY-SZMVWBNQSA-N 2 1 290.451 2.395 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cc2ccccc2)C[C@@H]1C ZINC000336840317 365911953 /nfs/dbraw/zinc/91/19/53/365911953.db2.gz WLPUIMGKVVDIOY-SZMVWBNQSA-N 2 1 290.451 2.395 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2)C[C@@H]1C ZINC000336840317 365911957 /nfs/dbraw/zinc/91/19/57/365911957.db2.gz WLPUIMGKVVDIOY-SZMVWBNQSA-N 2 1 290.451 2.395 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)OCCO2 ZINC000336840888 365913377 /nfs/dbraw/zinc/91/33/77/365913377.db2.gz XZRFMHMBQOBSHB-UHFFFAOYSA-N 2 1 290.407 2.376 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)OCCO2 ZINC000336840888 365913380 /nfs/dbraw/zinc/91/33/80/365913380.db2.gz XZRFMHMBQOBSHB-UHFFFAOYSA-N 2 1 290.407 2.376 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc21 ZINC000334343117 539589670 /nfs/dbraw/zinc/58/96/70/539589670.db2.gz QRFMOHZMSBZDKI-KRWDZBQOSA-N 2 1 284.407 2.149 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)C2([NH+](C)C)CC2)c1 ZINC000613040183 347966398 /nfs/dbraw/zinc/96/63/98/347966398.db2.gz RQNUHIFYHOYIKR-UHFFFAOYSA-N 2 1 275.396 2.089 20 0 CEADMP C[C@@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)CC[C@H]1[NH3+] ZINC000339410366 215154384 /nfs/dbraw/zinc/15/43/84/215154384.db2.gz RJCZZCNJHQUFEQ-CZUORRHYSA-N 2 1 274.408 2.223 20 0 CEADMP CC[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)[NH+](CC)CC ZINC000615616491 348361797 /nfs/dbraw/zinc/36/17/97/348361797.db2.gz JXDSAYHLUCLATK-NVXWUHKLSA-N 2 1 295.471 2.051 20 0 CEADMP FC(F)COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357055461 233000417 /nfs/dbraw/zinc/00/04/17/233000417.db2.gz ROPMDWHRSQJOOO-KBPBESRZSA-N 2 1 296.361 2.372 20 0 CEADMP FC(F)COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357055461 233000418 /nfs/dbraw/zinc/00/04/18/233000418.db2.gz ROPMDWHRSQJOOO-KBPBESRZSA-N 2 1 296.361 2.372 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)CC1(C)C ZINC000623337602 349991430 /nfs/dbraw/zinc/99/14/30/349991430.db2.gz QCFDYSWDYAGZQZ-UONOGXRCSA-N 2 1 290.407 2.289 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)CC1(C)C ZINC000623337602 349991431 /nfs/dbraw/zinc/99/14/31/349991431.db2.gz QCFDYSWDYAGZQZ-UONOGXRCSA-N 2 1 290.407 2.289 20 0 CEADMP CN(C)[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccco1 ZINC000623337477 349991830 /nfs/dbraw/zinc/99/18/30/349991830.db2.gz MGQJOQLNMKEUDA-KGLIPLIRSA-N 2 1 279.428 2.345 20 0 CEADMP CN(C)[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccco1 ZINC000623337477 349991833 /nfs/dbraw/zinc/99/18/33/349991833.db2.gz MGQJOQLNMKEUDA-KGLIPLIRSA-N 2 1 279.428 2.345 20 0 CEADMP Cc1cc(C)n(CCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623339415 349992399 /nfs/dbraw/zinc/99/23/99/349992399.db2.gz YUMFYSIJPFFUFL-OAHLLOKOSA-N 2 1 278.444 2.352 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623356324 349997804 /nfs/dbraw/zinc/99/78/04/349997804.db2.gz JDODUGQPFIZLPV-JSGCOSHPSA-N 2 1 276.428 2.260 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623356324 349997806 /nfs/dbraw/zinc/99/78/06/349997806.db2.gz JDODUGQPFIZLPV-JSGCOSHPSA-N 2 1 276.428 2.260 20 0 CEADMP c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc2c1COC2 ZINC000357220146 233025433 /nfs/dbraw/zinc/02/54/33/233025433.db2.gz MPZCJMOUCJBHSG-UHFFFAOYSA-N 2 1 272.392 2.433 20 0 CEADMP Cc1nc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000623363796 350000057 /nfs/dbraw/zinc/00/00/57/350000057.db2.gz GAYWJYZVCIWGKT-NSHDSACASA-N 2 1 253.415 2.414 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339074417 539658408 /nfs/dbraw/zinc/65/84/08/539658408.db2.gz LDQTWQOCAOQNJK-QZWWFDLISA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339074417 539658411 /nfs/dbraw/zinc/65/84/11/539658411.db2.gz LDQTWQOCAOQNJK-QZWWFDLISA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339074417 539658414 /nfs/dbraw/zinc/65/84/14/539658414.db2.gz LDQTWQOCAOQNJK-QZWWFDLISA-N 2 1 279.472 2.323 20 0 CEADMP CN(CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CC(F)(F)F ZINC000339069911 539659049 /nfs/dbraw/zinc/65/90/49/539659049.db2.gz YRWDRAGVSKZLLE-OLZOCXBDSA-N 2 1 293.377 2.087 20 0 CEADMP Cc1cccnc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000357393107 233062336 /nfs/dbraw/zinc/06/23/36/233062336.db2.gz WKOUIUKBNBKFPX-DJIMGWMZSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cccnc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000357393107 233062337 /nfs/dbraw/zinc/06/23/37/233062337.db2.gz WKOUIUKBNBKFPX-DJIMGWMZSA-N 2 1 289.423 2.074 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617346225 348685266 /nfs/dbraw/zinc/68/52/66/348685266.db2.gz PXYGZPNJKCHRMB-OLZOCXBDSA-N 2 1 283.460 2.142 20 0 CEADMP CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617928458 348827683 /nfs/dbraw/zinc/82/76/83/348827683.db2.gz QAHAXACACZRNKZ-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC(=O)NC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000619231215 349144757 /nfs/dbraw/zinc/14/47/57/349144757.db2.gz NGXSXQAFRNKIOS-UHFFFAOYSA-N 2 1 295.471 2.243 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1cncs1 ZINC000411400375 233242745 /nfs/dbraw/zinc/24/27/45/233242745.db2.gz NNJICDLIOMSZDI-UHFFFAOYSA-N 2 1 264.398 2.213 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1cncs1 ZINC000411400375 233242748 /nfs/dbraw/zinc/24/27/48/233242748.db2.gz NNJICDLIOMSZDI-UHFFFAOYSA-N 2 1 264.398 2.213 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)N1CCCC[C@@H]1C ZINC000623395420 350008778 /nfs/dbraw/zinc/00/87/78/350008778.db2.gz KDNRVCKGTZFBGH-KKUMJFAQSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)N1CCCC[C@@H]1C ZINC000623395420 350008780 /nfs/dbraw/zinc/00/87/80/350008780.db2.gz KDNRVCKGTZFBGH-KKUMJFAQSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCCCO1 ZINC000623486863 350032221 /nfs/dbraw/zinc/03/22/21/350032221.db2.gz LKWRAGMFTVSZKG-IHRRRGAJSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623429817 350018482 /nfs/dbraw/zinc/01/84/82/350018482.db2.gz RFCXLHXIIKFDKJ-QWHCGFSZSA-N 2 1 256.434 2.246 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623438327 350020054 /nfs/dbraw/zinc/02/00/54/350020054.db2.gz VUOFKGSKPYGIKT-CQSZACIVSA-N 2 1 255.450 2.181 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623438327 350020056 /nfs/dbraw/zinc/02/00/56/350020056.db2.gz VUOFKGSKPYGIKT-CQSZACIVSA-N 2 1 255.450 2.181 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623438327 350020059 /nfs/dbraw/zinc/02/00/59/350020059.db2.gz VUOFKGSKPYGIKT-CQSZACIVSA-N 2 1 255.450 2.181 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCC[C@H]2O)CC1(C)C ZINC000623439349 350020814 /nfs/dbraw/zinc/02/08/14/350020814.db2.gz GBKGDCXTRDKRLZ-LZWOXQAQSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000623449741 350024178 /nfs/dbraw/zinc/02/41/78/350024178.db2.gz JPUYMXMLWUPQIT-JSGCOSHPSA-N 2 1 254.418 2.264 20 0 CEADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623471742 350028236 /nfs/dbraw/zinc/02/82/36/350028236.db2.gz PVDFTGMEEYGBQN-CYBMUJFWSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](O)Cc1ccccc1 ZINC000623469958 350028450 /nfs/dbraw/zinc/02/84/50/350028450.db2.gz YARKURNCTDDBQS-BHYGNILZSA-N 2 1 290.451 2.441 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCCO1 ZINC000623473637 350029022 /nfs/dbraw/zinc/02/90/22/350029022.db2.gz CBXZSOGWKSZYRP-MELADBBJSA-N 2 1 254.418 2.406 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3nccn32)C1 ZINC000623656648 350076026 /nfs/dbraw/zinc/07/60/26/350076026.db2.gz ZDVAJKSUAJDESU-AWEZNQCLSA-N 3 1 272.396 2.156 20 0 CEADMP CC(C)n1nccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656974 350076130 /nfs/dbraw/zinc/07/61/30/350076130.db2.gz HCOPYMFONRPMHN-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP CC(C)n1nccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656974 350076133 /nfs/dbraw/zinc/07/61/33/350076133.db2.gz HCOPYMFONRPMHN-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000623657424 350076800 /nfs/dbraw/zinc/07/68/00/350076800.db2.gz QKMKCOOWCUITBJ-LJISPDSOSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)CC1(C)C ZINC000623493556 350034155 /nfs/dbraw/zinc/03/41/55/350034155.db2.gz JFRPEPGAZOBZGV-QLFBSQMISA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2Cc3cccc(O)c3C2)CC1(C)C ZINC000623507551 350037506 /nfs/dbraw/zinc/03/75/06/350037506.db2.gz QHQPDYWDMKDHPM-KBPBESRZSA-N 2 1 274.408 2.322 20 0 CEADMP C[N@H+]1CC[C@@H](NC[C@@H]2CC[NH+]2C(C)(C)C)CC1(C)C ZINC000623562327 350051623 /nfs/dbraw/zinc/05/16/23/350051623.db2.gz OPGPZDFOFRHSAL-KGLIPLIRSA-N 2 1 267.461 2.322 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)CC1(C)C ZINC000623562327 350051632 /nfs/dbraw/zinc/05/16/32/350051632.db2.gz OPGPZDFOFRHSAL-KGLIPLIRSA-N 2 1 267.461 2.322 20 0 CEADMP Cc1ccncc1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623563637 350052337 /nfs/dbraw/zinc/05/23/37/350052337.db2.gz FLXVXTBIMDUQIL-HNNXBMFYSA-N 2 1 261.413 2.395 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1CNC[C@H]1CCC[N@H+]1C ZINC000623634606 350071481 /nfs/dbraw/zinc/07/14/81/350071481.db2.gz MLDMRAWMFSNSTE-CQSZACIVSA-N 2 1 278.444 2.439 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1CNC[C@H]1CCC[N@@H+]1C ZINC000623634606 350071482 /nfs/dbraw/zinc/07/14/82/350071482.db2.gz MLDMRAWMFSNSTE-CQSZACIVSA-N 2 1 278.444 2.439 20 0 CEADMP C[C@@H](O)C[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411741785 233276075 /nfs/dbraw/zinc/27/60/75/233276075.db2.gz ASMLPZZBOZKMLS-OAHLLOKOSA-N 2 1 276.424 2.485 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623868396 350129638 /nfs/dbraw/zinc/12/96/38/350129638.db2.gz ZFNYWFOBGRUGRW-JSGCOSHPSA-N 2 1 251.374 2.129 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000090962332 180076863 /nfs/dbraw/zinc/07/68/63/180076863.db2.gz SLYMVZJFOHVDDG-HNNXBMFYSA-N 2 1 289.423 2.465 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000090962332 180076865 /nfs/dbraw/zinc/07/68/65/180076865.db2.gz SLYMVZJFOHVDDG-HNNXBMFYSA-N 2 1 289.423 2.465 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000623879667 350133169 /nfs/dbraw/zinc/13/31/69/350133169.db2.gz MCPLYZNKRPHTIA-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2CC(F)F)[C@@H](C)C1 ZINC000624094419 350192162 /nfs/dbraw/zinc/19/21/62/350192162.db2.gz DRCFWWNCZDCGOS-MJBXVCDLSA-N 2 1 289.414 2.036 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120672 350199154 /nfs/dbraw/zinc/19/91/54/350199154.db2.gz DQGVTMGWIBACPY-TZMCWYRMSA-N 2 1 264.417 2.111 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120672 350199156 /nfs/dbraw/zinc/19/91/56/350199156.db2.gz DQGVTMGWIBACPY-TZMCWYRMSA-N 2 1 264.417 2.111 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc2c1OCO2 ZINC000105443130 186056383 /nfs/dbraw/zinc/05/63/83/186056383.db2.gz PLLNGYHHHXNLRY-GFCCVEGCSA-N 2 1 287.363 2.346 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCOCc1ccccc1 ZINC000309653885 539785261 /nfs/dbraw/zinc/78/52/61/539785261.db2.gz AXOCFVSMILKAHW-MRXNPFEDSA-N 2 1 262.397 2.407 20 0 CEADMP COc1ccc(OCC[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000091847295 180271299 /nfs/dbraw/zinc/27/12/99/180271299.db2.gz FNZODFSNDDIBJP-UHFFFAOYSA-N 2 1 278.396 2.276 20 0 CEADMP Cc1ccncc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335634424 212349250 /nfs/dbraw/zinc/34/92/50/212349250.db2.gz OGRCSDRCVIDLIU-CABCVRRESA-N 2 1 259.397 2.212 20 0 CEADMP CCO[C@H](C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C)C1CC1 ZINC000625255933 350443137 /nfs/dbraw/zinc/44/31/37/350443137.db2.gz OZDNTLVVDXVPBZ-CWRNSKLLSA-N 2 1 268.445 2.464 20 0 CEADMP CCO[C@H](C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C)C1CC1 ZINC000625255933 350443143 /nfs/dbraw/zinc/44/31/43/350443143.db2.gz OZDNTLVVDXVPBZ-CWRNSKLLSA-N 2 1 268.445 2.464 20 0 CEADMP CCO[C@H](C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)C1CC1 ZINC000625255933 350443146 /nfs/dbraw/zinc/44/31/46/350443146.db2.gz OZDNTLVVDXVPBZ-CWRNSKLLSA-N 2 1 268.445 2.464 20 0 CEADMP CC(C)[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000092393978 180376134 /nfs/dbraw/zinc/37/61/34/180376134.db2.gz BFAMQMUKMHOWLT-GOSISDBHSA-N 2 1 290.451 2.300 20 0 CEADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000626164012 350675593 /nfs/dbraw/zinc/67/55/93/350675593.db2.gz UYXUYDXTLUQUSG-OKQSBHACSA-N 2 1 268.445 2.366 20 0 CEADMP C/C=C\C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000626164012 350675595 /nfs/dbraw/zinc/67/55/95/350675595.db2.gz UYXUYDXTLUQUSG-OKQSBHACSA-N 2 1 268.445 2.366 20 0 CEADMP C/C=C\C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000626164012 350675597 /nfs/dbraw/zinc/67/55/97/350675597.db2.gz UYXUYDXTLUQUSG-OKQSBHACSA-N 2 1 268.445 2.366 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000130956830 366007983 /nfs/dbraw/zinc/00/79/83/366007983.db2.gz DVGDQJKINBALQO-CYBMUJFWSA-N 2 1 262.397 2.255 20 0 CEADMP C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000130956620 366008028 /nfs/dbraw/zinc/00/80/28/366008028.db2.gz DVGDQJKINBALQO-ZDUSSCGKSA-N 2 1 262.397 2.255 20 0 CEADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000471788388 290283246 /nfs/dbraw/zinc/28/32/46/290283246.db2.gz PYRIPZGGQDTOCL-ZIAGYGMSSA-N 2 1 254.418 2.144 20 0 CEADMP CC[C@@H](C)[N@@H+](CCO)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000628302093 351050993 /nfs/dbraw/zinc/05/09/93/351050993.db2.gz PXQUHRSTYLLKAY-CYBMUJFWSA-N 2 1 288.395 2.169 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C12CCCC2 ZINC000629543545 351404950 /nfs/dbraw/zinc/40/49/50/351404950.db2.gz BUYYXRDKNRAVGU-CRWXNKLISA-N 2 1 252.402 2.064 20 0 CEADMP Cc1cccc2c1C[C@@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)CO2 ZINC000629512694 351382957 /nfs/dbraw/zinc/38/29/57/351382957.db2.gz BQSMCUKDXKGFSB-QWHCGFSZSA-N 2 1 283.375 2.457 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000629545136 351406064 /nfs/dbraw/zinc/40/60/64/351406064.db2.gz CBTBDJLJBCAFQF-IEAZIUSSSA-N 2 1 274.408 2.102 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC000629527381 351391127 /nfs/dbraw/zinc/39/11/27/351391127.db2.gz TYTSLPZVELGMMM-RFQIPJPRSA-N 2 1 254.418 2.310 20 0 CEADMP COc1ccncc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000629545229 351406290 /nfs/dbraw/zinc/40/62/90/351406290.db2.gz KSZYGKGUNDDDKP-OAHLLOKOSA-N 2 1 289.423 2.302 20 0 CEADMP C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407167 351355079 /nfs/dbraw/zinc/35/50/79/351355079.db2.gz WFHKCMILZXIXTB-SLEUVZQESA-N 2 1 250.361 2.487 20 0 CEADMP Fc1ccc2c(c1)OCC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000629595514 351426421 /nfs/dbraw/zinc/42/64/21/351426421.db2.gz RFXPOBLQENRLGZ-UHFFFAOYSA-N 2 1 278.371 2.410 20 0 CEADMP CO[C@@H](C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629594029 351426698 /nfs/dbraw/zinc/42/66/98/351426698.db2.gz JIQKLJGEDFHBBC-YESZJQIVSA-N 2 1 274.408 2.306 20 0 CEADMP CO[C@@H](C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629594029 351426703 /nfs/dbraw/zinc/42/67/03/351426703.db2.gz JIQKLJGEDFHBBC-YESZJQIVSA-N 2 1 274.408 2.306 20 0 CEADMP COCc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)o1 ZINC000629649134 351447456 /nfs/dbraw/zinc/44/74/56/351447456.db2.gz INTFWPPHCRABRI-XJKSGUPXSA-N 2 1 278.396 2.390 20 0 CEADMP COCc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)o1 ZINC000629649134 351447461 /nfs/dbraw/zinc/44/74/61/351447461.db2.gz INTFWPPHCRABRI-XJKSGUPXSA-N 2 1 278.396 2.390 20 0 CEADMP C[N@H+](CC1=Cc2ccccc2OC1)C1CC[NH2+]CC1 ZINC000629651212 351449564 /nfs/dbraw/zinc/44/95/64/351449564.db2.gz CHRRJMIAGXNSTL-UHFFFAOYSA-N 2 1 258.365 2.146 20 0 CEADMP C[N@@H+](CC1=Cc2ccccc2OC1)C1CC[NH2+]CC1 ZINC000629651212 351449568 /nfs/dbraw/zinc/44/95/68/351449568.db2.gz CHRRJMIAGXNSTL-UHFFFAOYSA-N 2 1 258.365 2.146 20 0 CEADMP c1ccc2c(c1)C=C(C[N@@H+]1CC[C@@]3(CC[NH2+]C3)C1)CO2 ZINC000629653941 351450974 /nfs/dbraw/zinc/45/09/74/351450974.db2.gz NMEOCEAGHHTAFS-QGZVFWFLSA-N 2 1 270.376 2.148 20 0 CEADMP c1ccc2c(c1)C=C(C[N@H+]1CC[C@@]3(CC[NH2+]C3)C1)CO2 ZINC000629653941 351450978 /nfs/dbraw/zinc/45/09/78/351450978.db2.gz NMEOCEAGHHTAFS-QGZVFWFLSA-N 2 1 270.376 2.148 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCSC2)CC[C@@H]1C(F)(F)F ZINC000629654648 351452599 /nfs/dbraw/zinc/45/25/99/351452599.db2.gz OYQNLYQKYNTNAN-AXFHLTTASA-N 2 1 282.375 2.199 20 0 CEADMP COc1cc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1C ZINC000629662366 351456175 /nfs/dbraw/zinc/45/61/75/351456175.db2.gz DFTXQYRSVJYLMG-CALCHBBNSA-N 2 1 274.408 2.435 20 0 CEADMP COc1cc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ccc1C ZINC000629662366 351456180 /nfs/dbraw/zinc/45/61/80/351456180.db2.gz DFTXQYRSVJYLMG-CALCHBBNSA-N 2 1 274.408 2.435 20 0 CEADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCOCC[NH2+]C ZINC000629572090 351418870 /nfs/dbraw/zinc/41/88/70/351418870.db2.gz VYOPCKGUMDURNT-HNNXBMFYSA-N 2 1 268.376 2.445 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Cl)cc1OC ZINC000629572227 351419760 /nfs/dbraw/zinc/41/97/60/351419760.db2.gz OXPPWJZLWBUDRL-UHFFFAOYSA-N 2 1 286.803 2.016 20 0 CEADMP Cc1oc(-c2ccccc2)nc1C[N@H+](C)CCOCC[NH3+] ZINC000629578385 351420735 /nfs/dbraw/zinc/42/07/35/351420735.db2.gz BSEIHGOBJLQHFP-UHFFFAOYSA-N 2 1 289.379 2.057 20 0 CEADMP Cc1oc(-c2ccccc2)nc1C[N@@H+](C)CCOCC[NH3+] ZINC000629578385 351420739 /nfs/dbraw/zinc/42/07/39/351420739.db2.gz BSEIHGOBJLQHFP-UHFFFAOYSA-N 2 1 289.379 2.057 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000070148510 363037460 /nfs/dbraw/zinc/03/74/60/363037460.db2.gz WXKVBFBBOVFKFW-AWEZNQCLSA-N 2 1 276.380 2.161 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000070169707 363042188 /nfs/dbraw/zinc/04/21/88/363042188.db2.gz FZFLRYMOLUPEPN-HNNXBMFYSA-N 2 1 284.407 2.433 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000070170689 363044063 /nfs/dbraw/zinc/04/40/63/363044063.db2.gz CXNVEEZMKYGNCD-HNNXBMFYSA-N 2 1 284.407 2.433 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070174064 363047256 /nfs/dbraw/zinc/04/72/56/363047256.db2.gz DRCPFEIFUFDXJB-DOMZBBRYSA-N 2 1 276.380 2.032 20 0 CEADMP C[NH+](C)CCCC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629976890 351565687 /nfs/dbraw/zinc/56/56/87/351565687.db2.gz VQRRQBNUBFFMFW-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000630022477 351588622 /nfs/dbraw/zinc/58/86/22/351588622.db2.gz HWXUHSDOXRGSIE-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000630022477 351588625 /nfs/dbraw/zinc/58/86/25/351588625.db2.gz HWXUHSDOXRGSIE-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000630022477 351588628 /nfs/dbraw/zinc/58/86/28/351588628.db2.gz HWXUHSDOXRGSIE-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCC1([NH+](C)C)CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC000630072266 351602227 /nfs/dbraw/zinc/60/22/27/351602227.db2.gz BVDMHWKLKXRVBK-UHFFFAOYSA-N 2 1 264.417 2.035 20 0 CEADMP CC(C)C[C@H](C)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000337180850 366058309 /nfs/dbraw/zinc/05/83/09/366058309.db2.gz MGWNNUKJJQCQLB-INIZCTEOSA-N 2 1 269.477 2.238 20 0 CEADMP CO[C@@H]1CN(c2cc[nH+]c3ccsc32)[C@](C)(C[NH3+])C1 ZINC000630375230 351715777 /nfs/dbraw/zinc/71/57/77/351715777.db2.gz OUWLPBOOWXUVFY-HZMBPMFUSA-N 2 1 277.393 2.239 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC000337199800 366072014 /nfs/dbraw/zinc/07/20/14/366072014.db2.gz ZDEKXIDJHFCKGR-SJORKVTESA-N 2 1 281.488 2.380 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)CC[N@H+]1C ZINC000630736967 351837194 /nfs/dbraw/zinc/83/71/94/351837194.db2.gz DFRPTTXSMXIRAM-LVQVYYBASA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000630736967 351837199 /nfs/dbraw/zinc/83/71/99/351837199.db2.gz DFRPTTXSMXIRAM-LVQVYYBASA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000630736967 351837203 /nfs/dbraw/zinc/83/72/03/351837203.db2.gz DFRPTTXSMXIRAM-LVQVYYBASA-N 2 1 295.471 2.096 20 0 CEADMP Cc1ncsc1CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000123367299 187087539 /nfs/dbraw/zinc/08/75/39/187087539.db2.gz DNNMEJGHVACDAG-UHFFFAOYSA-N 2 1 279.453 2.458 20 0 CEADMP COc1cncc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000631056807 351941123 /nfs/dbraw/zinc/94/11/23/351941123.db2.gz TZIVDMSRXZADJH-AWEZNQCLSA-N 2 1 277.412 2.219 20 0 CEADMP COc1cncc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1C ZINC000631056807 351941126 /nfs/dbraw/zinc/94/11/26/351941126.db2.gz TZIVDMSRXZADJH-AWEZNQCLSA-N 2 1 277.412 2.219 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC000631195355 352010814 /nfs/dbraw/zinc/01/08/14/352010814.db2.gz FRWDTYWDPPCTKG-NVXWUHKLSA-N 2 1 298.434 2.278 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC000631195355 352010815 /nfs/dbraw/zinc/01/08/15/352010815.db2.gz FRWDTYWDPPCTKG-NVXWUHKLSA-N 2 1 298.434 2.278 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000071297821 363109464 /nfs/dbraw/zinc/10/94/64/363109464.db2.gz AVQZCVYMDZUKEA-KGLIPLIRSA-N 2 1 270.417 2.169 20 0 CEADMP COC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccco1 ZINC000273495583 192174857 /nfs/dbraw/zinc/17/48/57/192174857.db2.gz LLTPIDSWOZYKMN-CYBMUJFWSA-N 2 1 263.341 2.152 20 0 CEADMP COC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccco1 ZINC000273495586 192175530 /nfs/dbraw/zinc/17/55/30/192175530.db2.gz LLTPIDSWOZYKMN-ZDUSSCGKSA-N 2 1 263.341 2.152 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000252546534 539877898 /nfs/dbraw/zinc/87/78/98/539877898.db2.gz KPQULXGEEHZGFK-HIFRSBDPSA-N 2 1 259.397 2.390 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000252546534 539877903 /nfs/dbraw/zinc/87/79/03/539877903.db2.gz KPQULXGEEHZGFK-HIFRSBDPSA-N 2 1 259.397 2.390 20 0 CEADMP COc1ccc([C@H](OC)[C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000271560923 191212439 /nfs/dbraw/zinc/21/24/39/191212439.db2.gz UHXYJGSWTCIBDX-SUMWQHHRSA-N 2 1 292.423 2.455 20 0 CEADMP C[C@@H]1CCC[N@H+]1C1CCN(CC[NH+]2CCCCC2)CC1 ZINC000134752883 187771392 /nfs/dbraw/zinc/77/13/92/187771392.db2.gz XNZOPTDKEAKEAV-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP COCc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292153593 198183664 /nfs/dbraw/zinc/18/36/64/198183664.db2.gz NTHGMNZKECFVIR-QGZVFWFLSA-N 2 1 274.408 2.361 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292153593 198183666 /nfs/dbraw/zinc/18/36/66/198183666.db2.gz NTHGMNZKECFVIR-QGZVFWFLSA-N 2 1 274.408 2.361 20 0 CEADMP COCc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292153593 198183667 /nfs/dbraw/zinc/18/36/67/198183667.db2.gz NTHGMNZKECFVIR-QGZVFWFLSA-N 2 1 274.408 2.361 20 0 CEADMP COCc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292153593 198183669 /nfs/dbraw/zinc/18/36/69/198183669.db2.gz NTHGMNZKECFVIR-QGZVFWFLSA-N 2 1 274.408 2.361 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccccc1O ZINC000154952902 188172604 /nfs/dbraw/zinc/17/26/04/188172604.db2.gz GXOLEKOAEKORBR-VNHYZAJKSA-N 2 1 262.397 2.253 20 0 CEADMP CC[C@H]1C[N@@H+](CCc2scnc2C)CC[C@H]1[NH3+] ZINC000251822487 539992838 /nfs/dbraw/zinc/99/28/38/539992838.db2.gz PIRUFVGNKAQTJU-NWDGAFQWSA-N 2 1 253.415 2.053 20 0 CEADMP CC(C)[C@@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000292540790 198326018 /nfs/dbraw/zinc/32/60/18/198326018.db2.gz GLVAQYXHKDJZTC-MSOLQXFVSA-N 2 1 290.451 2.457 20 0 CEADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000157747070 188336208 /nfs/dbraw/zinc/33/62/08/188336208.db2.gz VRDKWYGCMWQXCV-INIZCTEOSA-N 2 1 291.439 2.136 20 0 CEADMP Cn1cnc2cc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)ccc21 ZINC000271709486 191286270 /nfs/dbraw/zinc/28/62/70/191286270.db2.gz GNZORKWCGPXHQC-OAHLLOKOSA-N 2 1 286.423 2.347 20 0 CEADMP Cn1cnc2cc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)ccc21 ZINC000271709486 191286272 /nfs/dbraw/zinc/28/62/72/191286272.db2.gz GNZORKWCGPXHQC-OAHLLOKOSA-N 2 1 286.423 2.347 20 0 CEADMP Cn1cnc2cc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)ccc21 ZINC000271709486 191286274 /nfs/dbraw/zinc/28/62/74/191286274.db2.gz GNZORKWCGPXHQC-OAHLLOKOSA-N 2 1 286.423 2.347 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000132055241 366114047 /nfs/dbraw/zinc/11/40/47/366114047.db2.gz FXFWVMZQWYOZRD-HOCLYGCPSA-N 2 1 261.413 2.418 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(C)n1 ZINC000165292453 188631126 /nfs/dbraw/zinc/63/11/26/188631126.db2.gz YCEDTLCNUJVWNY-CHWSQXEVSA-N 2 1 276.428 2.476 20 0 CEADMP Fc1ccc(-n2cc(C[NH2+][C@H]3CCC[NH2+]CC3)cn2)cc1 ZINC000666855473 540023852 /nfs/dbraw/zinc/02/38/52/540023852.db2.gz UPMRIEGSOARRGD-HNNXBMFYSA-N 2 1 288.370 2.243 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337987267 366188643 /nfs/dbraw/zinc/18/86/43/366188643.db2.gz INBFCZSKVDUVPH-ULQDDVLXSA-N 2 1 280.456 2.392 20 0 CEADMP CCO[C@H]1CC[N@H+](CCCn2cc[nH+]c2C)C[C@H]1C ZINC000451547045 283029484 /nfs/dbraw/zinc/02/94/84/283029484.db2.gz SWDMUJVWXPAEIO-HIFRSBDPSA-N 2 1 265.401 2.329 20 0 CEADMP CCO[C@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C[C@H]1C ZINC000451547045 283029485 /nfs/dbraw/zinc/02/94/85/283029485.db2.gz SWDMUJVWXPAEIO-HIFRSBDPSA-N 2 1 265.401 2.329 20 0 CEADMP CC[C@H]1CCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000569919486 299226058 /nfs/dbraw/zinc/22/60/58/299226058.db2.gz YQPRSCSQGIZRDI-ZGRYLRDCSA-N 2 1 279.472 2.371 20 0 CEADMP COc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257728837 540103312 /nfs/dbraw/zinc/10/33/12/540103312.db2.gz WTQHPGAXWNFPDT-INIZCTEOSA-N 2 1 260.381 2.271 20 0 CEADMP COc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257728837 540103318 /nfs/dbraw/zinc/10/33/18/540103318.db2.gz WTQHPGAXWNFPDT-INIZCTEOSA-N 2 1 260.381 2.271 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000569928374 299226978 /nfs/dbraw/zinc/22/69/78/299226978.db2.gz NNRIZIJNVVIQPP-QJPTWQEYSA-N 2 1 264.394 2.009 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271864664 191375823 /nfs/dbraw/zinc/37/58/23/191375823.db2.gz LCBNZMXNEMBOES-CQSZACIVSA-N 2 1 274.408 2.478 20 0 CEADMP C[C@H]([NH2+]CCc1ccc2cn[nH]c2c1)C1CC[NH+](C)CC1 ZINC000671301290 540154125 /nfs/dbraw/zinc/15/41/25/540154125.db2.gz LUWRHLXOQJGQBN-ZDUSSCGKSA-N 2 1 286.423 2.425 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000451784794 283104580 /nfs/dbraw/zinc/10/45/80/283104580.db2.gz FHCLUQAGXGGJCM-AWEZNQCLSA-N 2 1 258.450 2.447 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC([NH+]3CCCCC3)C2)[C@@H]2CCC[C@H]21 ZINC000353611809 283132551 /nfs/dbraw/zinc/13/25/51/283132551.db2.gz ZZGCNPXRVLCWPE-NUUXYWTLSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCN2CCc3ccccc3C2)CC[N@H+]1C ZINC000121731255 291083399 /nfs/dbraw/zinc/08/33/99/291083399.db2.gz SNTOIIPWQMSJRR-YJBOKZPZSA-N 2 1 287.451 2.117 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451906240 283139359 /nfs/dbraw/zinc/13/93/59/283139359.db2.gz LCYCOISYUPPUAF-YNEHKIRRSA-N 2 1 294.361 2.106 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451906240 283139364 /nfs/dbraw/zinc/13/93/64/283139364.db2.gz LCYCOISYUPPUAF-YNEHKIRRSA-N 2 1 294.361 2.106 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451906240 283139366 /nfs/dbraw/zinc/13/93/66/283139366.db2.gz LCYCOISYUPPUAF-YNEHKIRRSA-N 2 1 294.361 2.106 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451906240 283139368 /nfs/dbraw/zinc/13/93/68/283139368.db2.gz LCYCOISYUPPUAF-YNEHKIRRSA-N 2 1 294.361 2.106 20 0 CEADMP C1CC[NH+](C2CC[NH+]([C@H]3CCCOC3)CC2)CC1 ZINC000674286401 540227276 /nfs/dbraw/zinc/22/72/76/540227276.db2.gz WRXDDVZFWAREEV-HNNXBMFYSA-N 2 1 252.402 2.116 20 0 CEADMP CCCC[C@H]1CCC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338288657 366275383 /nfs/dbraw/zinc/27/53/83/366275383.db2.gz MERRHKVSJDXUOZ-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000338292738 366277776 /nfs/dbraw/zinc/27/77/76/366277776.db2.gz QNSVVTJNBWDHOA-QWHCGFSZSA-N 2 1 281.400 2.149 20 0 CEADMP C[C@H]1C[C@H](C(=O)NCCC[NH+]2CCCCCC2)CC[N@H+]1C ZINC000351812736 291106460 /nfs/dbraw/zinc/10/64/60/291106460.db2.gz SNPIOAWDMRIBSF-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCc1cscn1 ZINC000452096963 283186093 /nfs/dbraw/zinc/18/60/93/283186093.db2.gz PIFFXKQROHYIOA-UHFFFAOYSA-N 2 1 253.415 2.150 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCCCOC)C1 ZINC000076000778 363506145 /nfs/dbraw/zinc/50/61/45/363506145.db2.gz BVXLLKRSVYJNAN-OAHLLOKOSA-N 2 1 256.434 2.467 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000570408156 299257953 /nfs/dbraw/zinc/25/79/53/299257953.db2.gz XNCGKZKOAQDRGB-INIZCTEOSA-N 2 1 277.412 2.245 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000570408156 299257955 /nfs/dbraw/zinc/25/79/55/299257955.db2.gz XNCGKZKOAQDRGB-INIZCTEOSA-N 2 1 277.412 2.245 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000570408156 299257956 /nfs/dbraw/zinc/25/79/56/299257956.db2.gz XNCGKZKOAQDRGB-INIZCTEOSA-N 2 1 277.412 2.245 20 0 CEADMP NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336373751 283264509 /nfs/dbraw/zinc/26/45/09/283264509.db2.gz JJUSVRUPOUIUKD-CQSZACIVSA-N 2 1 291.370 2.478 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](CC)C(=O)OCC ZINC000414761933 283281008 /nfs/dbraw/zinc/28/10/08/283281008.db2.gz VBYIKIMNIPMPJC-ZNMIVQPWSA-N 2 1 284.444 2.428 20 0 CEADMP CC(=O)Nc1cccc(CN[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000155491987 540297296 /nfs/dbraw/zinc/29/72/96/540297296.db2.gz KCNXEUZKIJIGPS-BLLLJJGKSA-N 2 1 287.407 2.360 20 0 CEADMP CC(=O)Nc1cccc(CN[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000155491987 540297297 /nfs/dbraw/zinc/29/72/97/540297297.db2.gz KCNXEUZKIJIGPS-BLLLJJGKSA-N 2 1 287.407 2.360 20 0 CEADMP COCC1CCC([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000414516795 236396606 /nfs/dbraw/zinc/39/66/06/236396606.db2.gz XPIXLHABSFHWRO-UHFFFAOYSA-N 2 1 297.468 2.500 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCc2ccnn2CC)CC1 ZINC000338545713 366406055 /nfs/dbraw/zinc/40/60/55/366406055.db2.gz IVXWGMBFEIXRCZ-UHFFFAOYSA-N 2 1 278.444 2.252 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H](C)CO ZINC000135190893 366407435 /nfs/dbraw/zinc/40/74/35/366407435.db2.gz PATHTXSHAUHQEH-HUUCEWRRSA-N 2 1 276.424 2.258 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2ccncc2)C1 ZINC000577862148 366408786 /nfs/dbraw/zinc/40/87/86/366408786.db2.gz YCLIPRQZHWNYLG-JKSUJKDBSA-N 2 1 259.397 2.355 20 0 CEADMP C[C@H](C[NH3+])[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000414935342 236562379 /nfs/dbraw/zinc/56/23/79/236562379.db2.gz VMCREMUZWPKZAU-VHSXEESVSA-N 2 1 271.202 2.489 20 0 CEADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cnn(C)c1 ZINC000183949397 299280210 /nfs/dbraw/zinc/28/02/10/299280210.db2.gz RRDQMPIXXBDVGP-ZDUSSCGKSA-N 2 1 264.417 2.193 20 0 CEADMP CCC(CC)C[N@@H+](CC)C[C@H](O)C[NH+](C)C(C)C ZINC000310942808 540450204 /nfs/dbraw/zinc/45/02/04/540450204.db2.gz XCJUKIFAINGOIU-OAHLLOKOSA-N 2 1 258.450 2.446 20 0 CEADMP CCC(CC)C[NH+](CC)C[C@H](O)C[N@H+](C)C(C)C ZINC000310942808 540450207 /nfs/dbraw/zinc/45/02/07/540450207.db2.gz XCJUKIFAINGOIU-OAHLLOKOSA-N 2 1 258.450 2.446 20 0 CEADMP CCC(CC)C[NH+](CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000310942808 540450211 /nfs/dbraw/zinc/45/02/11/540450211.db2.gz XCJUKIFAINGOIU-OAHLLOKOSA-N 2 1 258.450 2.446 20 0 CEADMP CCn1c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nc2ccccc21 ZINC000666852255 540508693 /nfs/dbraw/zinc/50/86/93/540508693.db2.gz VELIUVQSKICUER-QWHCGFSZSA-N 2 1 272.396 2.416 20 0 CEADMP CCn1c(C[NH2+][C@@H]2CCC[NH2+]CC2)nc2ccccc21 ZINC000666855144 540509984 /nfs/dbraw/zinc/50/99/84/540509984.db2.gz AEGDREUQQJALQW-CYBMUJFWSA-N 2 1 272.396 2.288 20 0 CEADMP COC1(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000571140272 299294385 /nfs/dbraw/zinc/29/43/85/299294385.db2.gz NIHZRWCBQCNGKE-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](c1cnccn1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000329404271 202322485 /nfs/dbraw/zinc/32/24/85/202322485.db2.gz AKIOUUZQVZIHGS-TZMCWYRMSA-N 2 1 270.336 2.086 20 0 CEADMP C[C@H](c1cnccn1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000329404271 202322487 /nfs/dbraw/zinc/32/24/87/202322487.db2.gz AKIOUUZQVZIHGS-TZMCWYRMSA-N 2 1 270.336 2.086 20 0 CEADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000297645748 200251051 /nfs/dbraw/zinc/25/10/51/200251051.db2.gz UAHZPMSABAAEEO-UHFFFAOYSA-N 2 1 286.379 2.200 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC000338972300 366596054 /nfs/dbraw/zinc/59/60/54/366596054.db2.gz HLTISYKYYYBCMJ-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000151905375 366674706 /nfs/dbraw/zinc/67/47/06/366674706.db2.gz WFBXOSZKUXAUTE-OAHLLOKOSA-N 3 1 293.455 2.229 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@@H]21 ZINC000342142549 216236168 /nfs/dbraw/zinc/23/61/68/216236168.db2.gz VNXPDBGHGUGYRT-UHOFOFEASA-N 2 1 278.371 2.264 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@H]21 ZINC000342142540 216236878 /nfs/dbraw/zinc/23/68/78/216236878.db2.gz VNXPDBGHGUGYRT-APHBMKBZSA-N 2 1 278.371 2.264 20 0 CEADMP COCCN1CCC([NH2+][C@@H](C)c2nc(C)cs2)CC1 ZINC000675809845 540875660 /nfs/dbraw/zinc/87/56/60/540875660.db2.gz NVYIUYULAYLPEW-LBPRGKRZSA-N 2 1 283.441 2.213 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCCC2)[C@@H](C)C1 ZINC000675874585 540878476 /nfs/dbraw/zinc/87/84/76/540878476.db2.gz PFQAQCXZMLFJTH-JKSUJKDBSA-N 2 1 298.471 2.018 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)on1 ZINC000677475114 541017461 /nfs/dbraw/zinc/01/74/61/541017461.db2.gz QXCAGIGNFKFZIO-AWEZNQCLSA-N 2 1 263.385 2.147 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000180680463 189269800 /nfs/dbraw/zinc/26/98/00/189269800.db2.gz NESDLCCNSYJJBI-NWDGAFQWSA-N 2 1 284.350 2.416 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(F)c(F)c2)CC[N@H+]1C ZINC000180680463 189269801 /nfs/dbraw/zinc/26/98/01/189269801.db2.gz NESDLCCNSYJJBI-NWDGAFQWSA-N 2 1 284.350 2.416 20 0 CEADMP CC[C@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000579710311 366689111 /nfs/dbraw/zinc/68/91/11/366689111.db2.gz BNUHCCJZSFCOPP-LBPRGKRZSA-N 2 1 296.440 2.195 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000153768852 366737657 /nfs/dbraw/zinc/73/76/57/366737657.db2.gz NYXLFOQDHPTXEH-INIZCTEOSA-N 2 1 292.423 2.458 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000153729340 366738073 /nfs/dbraw/zinc/73/80/73/366738073.db2.gz SWKSBKQLYRXONL-ANQUJSFKSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153729340 366738077 /nfs/dbraw/zinc/73/80/77/366738077.db2.gz SWKSBKQLYRXONL-ANQUJSFKSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153729340 366738081 /nfs/dbraw/zinc/73/80/81/366738081.db2.gz SWKSBKQLYRXONL-ANQUJSFKSA-N 2 1 279.472 2.322 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000237033061 370682156 /nfs/dbraw/zinc/68/21/56/370682156.db2.gz YZMKXFLCEWXOEH-INIZCTEOSA-N 2 1 289.423 2.140 20 0 CEADMP CO[C@H](C)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000182203992 189316735 /nfs/dbraw/zinc/31/67/35/189316735.db2.gz QBFJXVMGWPXLIT-WBVHZDCISA-N 2 1 276.424 2.475 20 0 CEADMP CO[C@H](C)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000182203992 189316736 /nfs/dbraw/zinc/31/67/36/189316736.db2.gz QBFJXVMGWPXLIT-WBVHZDCISA-N 2 1 276.424 2.475 20 0 CEADMP CO[C@H](C)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000182203992 189316737 /nfs/dbraw/zinc/31/67/37/189316737.db2.gz QBFJXVMGWPXLIT-WBVHZDCISA-N 2 1 276.424 2.475 20 0 CEADMP CSC1(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CCC1 ZINC000356384085 370688560 /nfs/dbraw/zinc/68/85/60/370688560.db2.gz CSYNGFZNDBKULN-AWEZNQCLSA-N 2 1 286.485 2.363 20 0 CEADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000154274504 366766071 /nfs/dbraw/zinc/76/60/71/366766071.db2.gz BSVGUSPXXAUPHW-SOUVJXGZSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(CO)cc2)CC[N@@H+]1C ZINC000182824384 189336146 /nfs/dbraw/zinc/33/61/46/189336146.db2.gz DAEGZNZFWZAIDR-CJNGLKHVSA-N 2 1 262.397 2.093 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(CO)cc2)CC[N@H+]1C ZINC000182824384 189336147 /nfs/dbraw/zinc/33/61/47/189336147.db2.gz DAEGZNZFWZAIDR-CJNGLKHVSA-N 2 1 262.397 2.093 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(CO)cc2)CC[NH+]1C ZINC000182824384 189336148 /nfs/dbraw/zinc/33/61/48/189336148.db2.gz DAEGZNZFWZAIDR-CJNGLKHVSA-N 2 1 262.397 2.093 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(CO)cc2)CC[NH+]1C ZINC000182824384 189336149 /nfs/dbraw/zinc/33/61/49/189336149.db2.gz DAEGZNZFWZAIDR-CJNGLKHVSA-N 2 1 262.397 2.093 20 0 CEADMP C[NH+](C)Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000340197528 366800445 /nfs/dbraw/zinc/80/04/45/366800445.db2.gz MDZSRILHRCALAF-UHFFFAOYSA-N 3 1 287.451 2.465 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000581618198 366802686 /nfs/dbraw/zinc/80/26/86/366802686.db2.gz UHSDDGRIIKADOE-FUDCBSFHSA-N 2 1 260.385 2.061 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000581618198 366802690 /nfs/dbraw/zinc/80/26/90/366802690.db2.gz UHSDDGRIIKADOE-FUDCBSFHSA-N 2 1 260.385 2.061 20 0 CEADMP COCC[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCCC1 ZINC000678073040 541076447 /nfs/dbraw/zinc/07/64/47/541076447.db2.gz JTRGRTHNZODHDZ-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP COCC[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000678073040 541076450 /nfs/dbraw/zinc/07/64/50/541076450.db2.gz JTRGRTHNZODHDZ-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP COCC[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000678073040 541076454 /nfs/dbraw/zinc/07/64/54/541076454.db2.gz JTRGRTHNZODHDZ-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678121158 541084898 /nfs/dbraw/zinc/08/48/98/541084898.db2.gz SROZKAUPGQTCAL-UHFFFAOYSA-N 2 1 250.386 2.467 20 0 CEADMP C[N@H+](Cc1cn2cccc(F)c2n1)CC1CC[NH+](C)CC1 ZINC000678239083 541098267 /nfs/dbraw/zinc/09/82/67/541098267.db2.gz PLUQIZUHJHZUKU-UHFFFAOYSA-N 2 1 290.386 2.247 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCC1 ZINC000678929736 541192553 /nfs/dbraw/zinc/19/25/53/541192553.db2.gz MGMJPAFOORHOOO-INIZCTEOSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)n1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)n1 ZINC000085160594 363831207 /nfs/dbraw/zinc/83/12/07/363831207.db2.gz NWPULAXRLBUKQW-LBPRGKRZSA-N 2 1 250.390 2.023 20 0 CEADMP C[N@H+](Cc1cc(Br)cs1)C1CC([NH3+])C1 ZINC000087653364 363866259 /nfs/dbraw/zinc/86/62/59/363866259.db2.gz BNALDPZKWJCERA-UHFFFAOYSA-N 2 1 275.215 2.432 20 0 CEADMP C[N@@H+](Cc1cc(Br)cs1)C1CC([NH3+])C1 ZINC000087653364 363866263 /nfs/dbraw/zinc/86/62/63/363866263.db2.gz BNALDPZKWJCERA-UHFFFAOYSA-N 2 1 275.215 2.432 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(O)CCCCCC1 ZINC000087088774 363840623 /nfs/dbraw/zinc/84/06/23/363840623.db2.gz MOKRZYPODRQHJL-KFWWJZLASA-N 2 1 268.445 2.390 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+](CCCO)CC(C)(C)C ZINC000089427666 363965098 /nfs/dbraw/zinc/96/50/98/363965098.db2.gz FZIQZCZSGKZNEU-AWEZNQCLSA-N 2 1 256.434 2.201 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+](CCCO)CC(C)(C)C ZINC000089427666 363965100 /nfs/dbraw/zinc/96/51/00/363965100.db2.gz FZIQZCZSGKZNEU-AWEZNQCLSA-N 2 1 256.434 2.201 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCCO)CC(C)(C)C ZINC000089427666 363965103 /nfs/dbraw/zinc/96/51/03/363965103.db2.gz FZIQZCZSGKZNEU-AWEZNQCLSA-N 2 1 256.434 2.201 20 0 CEADMP CCCOc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320082 364053126 /nfs/dbraw/zinc/05/31/26/364053126.db2.gz GHVQEXNSDZGEGJ-GASCZTMLSA-N 2 1 260.381 2.127 20 0 CEADMP CCCOc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320082 364053130 /nfs/dbraw/zinc/05/31/30/364053130.db2.gz GHVQEXNSDZGEGJ-GASCZTMLSA-N 2 1 260.381 2.127 20 0 CEADMP CC1=C[C@@H](C)C[C@H](C[NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000356427358 370706603 /nfs/dbraw/zinc/70/66/03/370706603.db2.gz PBUWFHWUBSHYQB-ZBFHGGJFSA-N 2 1 280.456 2.415 20 0 CEADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC[NH3+])cc1 ZINC000237342116 370711567 /nfs/dbraw/zinc/71/15/67/370711567.db2.gz JEYBHXIQQQYPJW-CYBMUJFWSA-N 2 1 275.396 2.348 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]2(CCCOC2)C1 ZINC000334709001 364214776 /nfs/dbraw/zinc/21/47/76/364214776.db2.gz RJDJBGAVCYTHNP-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000334709001 364214781 /nfs/dbraw/zinc/21/47/81/364214781.db2.gz RJDJBGAVCYTHNP-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000334709001 364214786 /nfs/dbraw/zinc/21/47/86/364214786.db2.gz RJDJBGAVCYTHNP-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP C[C@@H]([NH2+]Cc1cncnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272220681 541346214 /nfs/dbraw/zinc/34/62/14/541346214.db2.gz RZNHCXBXLIIDAM-CRAIPNDOSA-N 2 1 296.418 2.477 20 0 CEADMP C[C@@H]([NH2+]Cc1cncnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272220681 541346217 /nfs/dbraw/zinc/34/62/17/541346217.db2.gz RZNHCXBXLIIDAM-CRAIPNDOSA-N 2 1 296.418 2.477 20 0 CEADMP CCOc1ccccc1OCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874088 364239425 /nfs/dbraw/zinc/23/94/25/364239425.db2.gz SQWUEQFGACVBOQ-UHFFFAOYSA-N 2 1 280.412 2.381 20 0 CEADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(C(C)(C)C)n1 ZINC000093964279 364244972 /nfs/dbraw/zinc/24/49/72/364244972.db2.gz ZYRFJZBCBFLFIW-ZDUSSCGKSA-N 2 1 278.444 2.149 20 0 CEADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(C(C)(C)C)n1 ZINC000093964279 364244973 /nfs/dbraw/zinc/24/49/73/364244973.db2.gz ZYRFJZBCBFLFIW-ZDUSSCGKSA-N 2 1 278.444 2.149 20 0 CEADMP COc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1C ZINC000094010752 364246976 /nfs/dbraw/zinc/24/69/76/364246976.db2.gz NJSNTCYOHMECRK-UHFFFAOYSA-N 2 1 262.397 2.435 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000094339008 364265946 /nfs/dbraw/zinc/26/59/46/364265946.db2.gz QAWSURHIDXDDMD-GWCFXTLKSA-N 2 1 270.323 2.457 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094342159 364269595 /nfs/dbraw/zinc/26/95/95/364269595.db2.gz PXIZWZWQTHVDQV-ZIAGYGMSSA-N 2 1 278.396 2.133 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094342159 364269603 /nfs/dbraw/zinc/26/96/03/364269603.db2.gz PXIZWZWQTHVDQV-ZIAGYGMSSA-N 2 1 278.396 2.133 20 0 CEADMP c1sc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc1C1CC1 ZINC000334995404 364325028 /nfs/dbraw/zinc/32/50/28/364325028.db2.gz DBLLAQARJHKWHW-BETUJISGSA-N 2 1 277.437 2.452 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc12 ZINC000094692765 364287749 /nfs/dbraw/zinc/28/77/49/364287749.db2.gz IMGHWJGAELZIGY-GASCZTMLSA-N 2 1 282.387 2.500 20 0 CEADMP c1cc(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC000334979392 364304231 /nfs/dbraw/zinc/30/42/31/364304231.db2.gz GGZGMVQJZYLNRB-SFHVURJKSA-N 2 1 286.419 2.240 20 0 CEADMP c1nc(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cs1 ZINC000340293402 366839983 /nfs/dbraw/zinc/83/99/83/366839983.db2.gz XIJQIKPSOZQQRC-CYBMUJFWSA-N 2 1 265.426 2.103 20 0 CEADMP c1nc(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cs1 ZINC000340293402 366839990 /nfs/dbraw/zinc/83/99/90/366839990.db2.gz XIJQIKPSOZQQRC-CYBMUJFWSA-N 2 1 265.426 2.103 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000158481180 366857168 /nfs/dbraw/zinc/85/71/68/366857168.db2.gz KDCQOSJYMCKZRY-STQMWFEESA-N 2 1 278.444 2.277 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C)n1 ZINC000335193833 364605287 /nfs/dbraw/zinc/60/52/87/364605287.db2.gz QVLMWTPRAXNNRW-HOTGVXAUSA-N 2 1 259.397 2.415 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(C)n1 ZINC000335193833 364605294 /nfs/dbraw/zinc/60/52/94/364605294.db2.gz QVLMWTPRAXNNRW-HOTGVXAUSA-N 2 1 259.397 2.415 20 0 CEADMP CCC(CC)[C@@H](C[NH2+]C[C@H]1CCCOC1)[NH+](C)C ZINC000104310265 364692160 /nfs/dbraw/zinc/69/21/60/364692160.db2.gz RVMWCRVIZHFITC-UKRRQHHQSA-N 2 1 256.434 2.369 20 0 CEADMP Cn1cncc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000112339854 364794755 /nfs/dbraw/zinc/79/47/55/364794755.db2.gz VOFXJXGXUNWQOP-UHFFFAOYSA-N 2 1 264.417 2.164 20 0 CEADMP Cn1cncc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000112339854 364794756 /nfs/dbraw/zinc/79/47/56/364794756.db2.gz VOFXJXGXUNWQOP-UHFFFAOYSA-N 2 1 264.417 2.164 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1cncs1)CC[NH2+]CC2 ZINC000335545331 364800870 /nfs/dbraw/zinc/80/08/70/364800870.db2.gz ZQHMSBMKDQTVOU-LLVKDONJSA-N 2 1 251.399 2.107 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000335494653 364791677 /nfs/dbraw/zinc/79/16/77/364791677.db2.gz CHGPJMRZMIDACH-RNCFNFMXSA-N 2 1 283.213 2.243 20 0 CEADMP [NH3+]CC1(O)CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000335624473 212338404 /nfs/dbraw/zinc/33/84/04/212338404.db2.gz DTUUOVDCUKNXNF-UHFFFAOYSA-N 2 1 289.206 2.279 20 0 CEADMP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000335780412 364971852 /nfs/dbraw/zinc/97/18/52/364971852.db2.gz MGBFDSXANFMQHN-ABAIWWIYSA-N 2 1 288.370 2.385 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000335780412 364971859 /nfs/dbraw/zinc/97/18/59/364971859.db2.gz MGBFDSXANFMQHN-ABAIWWIYSA-N 2 1 288.370 2.385 20 0 CEADMP CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000117346380 365104232 /nfs/dbraw/zinc/10/42/32/365104232.db2.gz JWALARCQBUYMKY-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000117346380 365104244 /nfs/dbraw/zinc/10/42/44/365104244.db2.gz JWALARCQBUYMKY-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000119025887 365202247 /nfs/dbraw/zinc/20/22/47/365202247.db2.gz SHOCRGKGZLDZNQ-MWDXBVQZSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)N1CCC(C)CC1 ZINC000119025887 365202253 /nfs/dbraw/zinc/20/22/53/365202253.db2.gz SHOCRGKGZLDZNQ-MWDXBVQZSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)N1CCC(C)CC1 ZINC000119025887 365202256 /nfs/dbraw/zinc/20/22/56/365202256.db2.gz SHOCRGKGZLDZNQ-MWDXBVQZSA-N 2 1 281.488 2.425 20 0 CEADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCOCC[NH3+])C1 ZINC000357094541 370804887 /nfs/dbraw/zinc/80/48/87/370804887.db2.gz YRIDUCFDRCUTFC-LSDHHAIUSA-N 2 1 262.397 2.148 20 0 CEADMP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCOCC[NH3+])C1 ZINC000357094539 370805544 /nfs/dbraw/zinc/80/55/44/370805544.db2.gz YRIDUCFDRCUTFC-GJZGRUSLSA-N 2 1 262.397 2.148 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000357364428 370813624 /nfs/dbraw/zinc/81/36/24/370813624.db2.gz MNEXFMUKWJEWMF-OAHLLOKOSA-N 2 1 297.487 2.391 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCOCC2CC2)CC1 ZINC000119603786 365298700 /nfs/dbraw/zinc/29/87/00/365298700.db2.gz BGUBVZGDUGKIKU-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)CC[C@@H]1[NH3+] ZINC000336055048 365346659 /nfs/dbraw/zinc/34/66/59/365346659.db2.gz YXPNBLPPPXCVFI-FZMZJTMJSA-N 2 1 271.364 2.110 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000340425905 366881538 /nfs/dbraw/zinc/88/15/38/366881538.db2.gz WGHBVZBEGIJLRJ-XUJLQICISA-N 2 1 266.429 2.266 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000336082920 365384051 /nfs/dbraw/zinc/38/40/51/365384051.db2.gz OJUKYOPRJVMBDE-MRXNPFEDSA-N 2 1 288.439 2.404 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCCC)CC1 ZINC000120243262 365393881 /nfs/dbraw/zinc/39/38/81/365393881.db2.gz CVOOUSZWFQOYFW-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000120238708 365394454 /nfs/dbraw/zinc/39/44/54/365394454.db2.gz WJZKJROXWXYHNU-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C(C)(C)n2cncn2)C1 ZINC000340473872 366899366 /nfs/dbraw/zinc/89/93/66/366899366.db2.gz HOMRSTLGRZHGGY-HUUCEWRRSA-N 2 1 293.459 2.112 20 0 CEADMP CC[C@@H](Cn1cncn1)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340475511 366901152 /nfs/dbraw/zinc/90/11/52/366901152.db2.gz SCFJOPLDLGIMSK-XHSDSOJGSA-N 2 1 293.459 2.014 20 0 CEADMP Cc1ccc(C[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c(C)c1 ZINC000582959800 366981798 /nfs/dbraw/zinc/98/17/98/366981798.db2.gz NUNUOBWEGJHGMY-MAUKXSAKSA-N 2 1 290.451 2.279 20 0 CEADMP Cc1ccc(C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c(C)c1 ZINC000582959800 366981800 /nfs/dbraw/zinc/98/18/00/366981800.db2.gz NUNUOBWEGJHGMY-MAUKXSAKSA-N 2 1 290.451 2.279 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583066317 366996121 /nfs/dbraw/zinc/99/61/21/366996121.db2.gz GRPKCOJBBFUKDD-BQFCYCMXSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](CN(C)C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583066317 366996125 /nfs/dbraw/zinc/99/61/25/366996125.db2.gz GRPKCOJBBFUKDD-BQFCYCMXSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](CN(C)C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583066317 366996130 /nfs/dbraw/zinc/99/61/30/366996130.db2.gz GRPKCOJBBFUKDD-BQFCYCMXSA-N 2 1 289.467 2.437 20 0 CEADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H](CCO)c1ccccc1 ZINC000340714304 366999667 /nfs/dbraw/zinc/99/96/67/366999667.db2.gz VNQRDMCPDCCTOU-CVEARBPZSA-N 2 1 262.397 2.042 20 0 CEADMP C[C@H](C[N@H+]1CC[C@H](c2nccn2C)C1)C(F)(F)F ZINC000583330218 367034228 /nfs/dbraw/zinc/03/42/28/367034228.db2.gz QPEWNCWRHNKSJK-ZJUUUORDSA-N 2 1 261.291 2.408 20 0 CEADMP O[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000583444076 367049763 /nfs/dbraw/zinc/04/97/63/367049763.db2.gz MHNAOMWNSBHOQT-GVDBMIGSSA-N 2 1 280.456 2.488 20 0 CEADMP Cc1cnc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)n1C ZINC000341097504 367172055 /nfs/dbraw/zinc/17/20/55/367172055.db2.gz WOLYKMRHGZPIIO-AWEZNQCLSA-N 2 1 278.444 2.330 20 0 CEADMP C[C@H](CC1CCCCC1)C[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000357958253 370852694 /nfs/dbraw/zinc/85/26/94/370852694.db2.gz JNEVTLNROYSHGN-HIFRSBDPSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@H](CC1CCCCC1)C[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000357958253 370852697 /nfs/dbraw/zinc/85/26/97/370852697.db2.gz JNEVTLNROYSHGN-HIFRSBDPSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000165341069 367306652 /nfs/dbraw/zinc/30/66/52/367306652.db2.gz MGWMQMXDSQPHNR-GFCCVEGCSA-N 2 1 286.379 2.341 20 0 CEADMP C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000631566119 367405966 /nfs/dbraw/zinc/40/59/66/367405966.db2.gz LJOUVJNGBAWSDW-OEAJRASXSA-N 2 1 276.424 2.018 20 0 CEADMP CCC1CC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000342672347 367478085 /nfs/dbraw/zinc/47/80/85/367478085.db2.gz CEGLAZWJNFTJGT-VMWRSERWSA-N 2 1 288.435 2.402 20 0 CEADMP CCC1CC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000342672347 367478093 /nfs/dbraw/zinc/47/80/93/367478093.db2.gz CEGLAZWJNFTJGT-VMWRSERWSA-N 2 1 288.435 2.402 20 0 CEADMP CC(C)[N@@H+](C)CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000171115593 367481505 /nfs/dbraw/zinc/48/15/05/367481505.db2.gz NTTALICEXLVHNQ-UHFFFAOYSA-N 2 1 292.427 2.210 20 0 CEADMP C(c1nc(C2CCC2)no1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000631827635 367565325 /nfs/dbraw/zinc/56/53/25/367565325.db2.gz SCJOLKGVLJIADD-KBPBESRZSA-N 2 1 290.411 2.159 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](O)C(F)(F)F ZINC000631719998 367502283 /nfs/dbraw/zinc/50/22/83/367502283.db2.gz QGJZJPXFRZDIDT-ONGXEEELSA-N 2 1 282.350 2.151 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc2c1CCOC2 ZINC000631826565 367564194 /nfs/dbraw/zinc/56/41/94/367564194.db2.gz QYDYWCKZNQLFQF-INIZCTEOSA-N 2 1 274.408 2.463 20 0 CEADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631826767 367564558 /nfs/dbraw/zinc/56/45/58/367564558.db2.gz WNATUBXSHPAGHO-BZUAXINKSA-N 2 1 266.429 2.267 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000631753200 367525027 /nfs/dbraw/zinc/52/50/27/367525027.db2.gz GVXYLSFHGFEXCE-JHJVBQTASA-N 2 1 292.345 2.170 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](NCC2([NH+](C)C)CCCCC2)C1 ZINC000342850569 367570311 /nfs/dbraw/zinc/57/03/11/367570311.db2.gz NDODHAHLYDCUEW-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@@H+]1C[C@H](NCC2([NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC000342850568 367571016 /nfs/dbraw/zinc/57/10/16/367571016.db2.gz NDODHAHLYDCUEW-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1C[NH3+] ZINC000631838604 367578664 /nfs/dbraw/zinc/57/86/64/367578664.db2.gz RAZUBLGRRUYIHI-GXTWGEPZSA-N 2 1 271.364 2.368 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1C[NH3+] ZINC000631838604 367578670 /nfs/dbraw/zinc/57/86/70/367578670.db2.gz RAZUBLGRRUYIHI-GXTWGEPZSA-N 2 1 271.364 2.368 20 0 CEADMP C[C@@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000631842920 367582856 /nfs/dbraw/zinc/58/28/56/367582856.db2.gz HIZOTWLHYULNID-TZMCWYRMSA-N 2 1 271.364 2.368 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000631842920 367582860 /nfs/dbraw/zinc/58/28/60/367582860.db2.gz HIZOTWLHYULNID-TZMCWYRMSA-N 2 1 271.364 2.368 20 0 CEADMP CC(C)n1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cn1 ZINC000335543116 212242101 /nfs/dbraw/zinc/24/21/01/212242101.db2.gz JLEYTEKPOSRUMK-AWEZNQCLSA-N 2 1 276.428 2.428 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000681547876 541565349 /nfs/dbraw/zinc/56/53/49/541565349.db2.gz QYNUSUONOZUBEA-NSCUHMNNSA-N 2 1 259.328 2.405 20 0 CEADMP COc1cccc(CC2CC[NH+](C[C@H](C)[NH3+])CC2)c1 ZINC000631836288 367574886 /nfs/dbraw/zinc/57/48/86/367574886.db2.gz SPNFYDWYRFECKS-ZDUSSCGKSA-N 2 1 262.397 2.297 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC000631837089 367576548 /nfs/dbraw/zinc/57/65/48/367576548.db2.gz MSVFRYDWWNTACL-BBRMVZONSA-N 2 1 282.391 2.170 20 0 CEADMP COc1ccccc1OCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886097 367608658 /nfs/dbraw/zinc/60/86/58/367608658.db2.gz FRFADJZLVOREMS-GJZGRUSLSA-N 2 1 290.407 2.148 20 0 CEADMP COc1ccccc1OCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886097 367608666 /nfs/dbraw/zinc/60/86/66/367608666.db2.gz FRFADJZLVOREMS-GJZGRUSLSA-N 2 1 290.407 2.148 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000171689598 367594884 /nfs/dbraw/zinc/59/48/84/367594884.db2.gz YLTANVLVEPZIQK-UHFFFAOYSA-N 2 1 289.423 2.478 20 0 CEADMP C[C@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000681994322 541616609 /nfs/dbraw/zinc/61/66/09/541616609.db2.gz FBZJUKDZNPODIN-LJISPDSOSA-N 2 1 295.471 2.094 20 0 CEADMP FC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000343247976 367723972 /nfs/dbraw/zinc/72/39/72/367723972.db2.gz TXJIGHVKLWDUNL-TUAOUCFPSA-N 2 1 280.334 2.076 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000245895868 370884745 /nfs/dbraw/zinc/88/47/45/370884745.db2.gz IEYPCNLINCNVAI-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000173181023 367878939 /nfs/dbraw/zinc/87/89/39/367878939.db2.gz RZEYVWGOBNDWDH-GDBMZVCRSA-N 2 1 295.471 2.048 20 0 CEADMP Cc1ccn2c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cnc2c1 ZINC000343609257 367915065 /nfs/dbraw/zinc/91/50/65/367915065.db2.gz GTHZEYSZTNBTEF-HUUCEWRRSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1ccn2c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cnc2c1 ZINC000343609257 367915072 /nfs/dbraw/zinc/91/50/72/367915072.db2.gz GTHZEYSZTNBTEF-HUUCEWRRSA-N 2 1 284.407 2.359 20 0 CEADMP CCC(CC)C[N@H+](CC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000343554205 367881659 /nfs/dbraw/zinc/88/16/59/367881659.db2.gz HRBXDTVJUKBMGF-OAHLLOKOSA-N 2 1 297.487 2.297 20 0 CEADMP CCC(CC)C[N@@H+](CC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000343554205 367881666 /nfs/dbraw/zinc/88/16/66/367881666.db2.gz HRBXDTVJUKBMGF-OAHLLOKOSA-N 2 1 297.487 2.297 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000343575400 367894212 /nfs/dbraw/zinc/89/42/12/367894212.db2.gz RIRAUYKDHFTVRC-WCXIOVBPSA-N 2 1 281.488 2.284 20 0 CEADMP CC[N@H+]1C[C@H](NCC(C)(C)[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000343694262 367958391 /nfs/dbraw/zinc/95/83/91/367958391.db2.gz OMVYQCJEUOBXNF-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+]1C[C@H](NCC(C)(C)[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000343694262 367958395 /nfs/dbraw/zinc/95/83/95/367958395.db2.gz OMVYQCJEUOBXNF-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1C[C@H](NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000343694262 367958402 /nfs/dbraw/zinc/95/84/02/367958402.db2.gz OMVYQCJEUOBXNF-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1C[C@H](NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000343694262 367958406 /nfs/dbraw/zinc/95/84/06/367958406.db2.gz OMVYQCJEUOBXNF-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729765 368060234 /nfs/dbraw/zinc/06/02/34/368060234.db2.gz LIXVKRUWWSYAQD-HNNXBMFYSA-N 2 1 293.430 2.456 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH+]1CCCC[C@@H]1C ZINC000344301836 368117991 /nfs/dbraw/zinc/11/79/91/368117991.db2.gz YLMMDBPEOPTEGD-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000344301836 368117995 /nfs/dbraw/zinc/11/79/95/368117995.db2.gz YLMMDBPEOPTEGD-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000344301836 368118000 /nfs/dbraw/zinc/11/80/00/368118000.db2.gz YLMMDBPEOPTEGD-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2cccnc2)C1 ZINC000176280473 368219822 /nfs/dbraw/zinc/21/98/22/368219822.db2.gz UOVGBBZUXAZFCM-MRXNPFEDSA-N 2 1 261.413 2.288 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000176280473 368219825 /nfs/dbraw/zinc/21/98/25/368219825.db2.gz UOVGBBZUXAZFCM-MRXNPFEDSA-N 2 1 261.413 2.288 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000176280473 368219829 /nfs/dbraw/zinc/21/98/29/368219829.db2.gz UOVGBBZUXAZFCM-MRXNPFEDSA-N 2 1 261.413 2.288 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000572611847 299384334 /nfs/dbraw/zinc/38/43/34/299384334.db2.gz IHPJQHAFXGWEGE-GJZGRUSLSA-N 2 1 266.429 2.267 20 0 CEADMP CC[NH+](CC)CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000181369362 368449124 /nfs/dbraw/zinc/44/91/24/368449124.db2.gz ISUTUSJPCVAVFM-CVEARBPZSA-N 2 1 267.461 2.275 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000346093377 368543236 /nfs/dbraw/zinc/54/32/36/368543236.db2.gz HPMFOVMPJBVMRZ-KSZLIROESA-N 2 1 288.435 2.461 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000346093377 368543243 /nfs/dbraw/zinc/54/32/43/368543243.db2.gz HPMFOVMPJBVMRZ-KSZLIROESA-N 2 1 288.435 2.461 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000182755306 368587072 /nfs/dbraw/zinc/58/70/72/368587072.db2.gz KURRNFNVNPHXHX-UHFFFAOYSA-N 2 1 299.418 2.367 20 0 CEADMP CC[C@@H](C)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182559353 368567758 /nfs/dbraw/zinc/56/77/58/368567758.db2.gz XAAVKUHHKCDDSP-VPSFDDGASA-N 2 1 279.472 2.275 20 0 CEADMP COC(=O)c1ccc(C[N@H+](C)CCn2cc[nH+]c2C)cc1 ZINC000346325915 368637086 /nfs/dbraw/zinc/63/70/86/368637086.db2.gz MSWTXVHNEULZHO-UHFFFAOYSA-N 2 1 287.363 2.110 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)CCn2cc[nH+]c2C)cc1 ZINC000346325915 368637091 /nfs/dbraw/zinc/63/70/91/368637091.db2.gz MSWTXVHNEULZHO-UHFFFAOYSA-N 2 1 287.363 2.110 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)CC[N@H+]1C ZINC000184241070 368682787 /nfs/dbraw/zinc/68/27/87/368682787.db2.gz FASDOISJPXEMJV-HUUCEWRRSA-N 2 1 295.471 2.227 20 0 CEADMP [NH3+]C1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000346681270 368767731 /nfs/dbraw/zinc/76/77/31/368767731.db2.gz CSNJRRUHVYVEEU-UHFFFAOYSA-N 2 1 270.323 2.254 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000246325190 370946865 /nfs/dbraw/zinc/94/68/65/370946865.db2.gz FRRGTZMVORYVMI-IHRRRGAJSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)n1nccc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733526 368845579 /nfs/dbraw/zinc/84/55/79/368845579.db2.gz HKVUTEFCXBDTEP-CYBMUJFWSA-N 2 1 264.417 2.332 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)O1 ZINC000634687854 368815281 /nfs/dbraw/zinc/81/52/81/368815281.db2.gz BFZBSHAJXITRLQ-BARDWOONSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)O1 ZINC000634688363 368817149 /nfs/dbraw/zinc/81/71/49/368817149.db2.gz QISWHDVMSFJSRD-MGPQQGTHSA-N 2 1 252.402 2.018 20 0 CEADMP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000634733041 368844477 /nfs/dbraw/zinc/84/44/77/368844477.db2.gz VWVYCGYDLVQFKW-ZDUSSCGKSA-N 2 1 277.412 2.348 20 0 CEADMP CC1(C)C[C@@H]1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634704685 368830288 /nfs/dbraw/zinc/83/02/88/368830288.db2.gz OBBKPKNTVMCTJI-AEFFLSMTSA-N 2 1 288.435 2.259 20 0 CEADMP CC1(C)C[C@@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704685 368830294 /nfs/dbraw/zinc/83/02/94/368830294.db2.gz OBBKPKNTVMCTJI-AEFFLSMTSA-N 2 1 288.435 2.259 20 0 CEADMP CC1CC(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634721765 368838411 /nfs/dbraw/zinc/83/84/11/368838411.db2.gz FMQXGKCOADHJRF-VJFUWPCTSA-N 2 1 288.435 2.259 20 0 CEADMP CC1CC(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634721765 368838415 /nfs/dbraw/zinc/83/84/15/368838415.db2.gz FMQXGKCOADHJRF-VJFUWPCTSA-N 2 1 288.435 2.259 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000634724886 368840576 /nfs/dbraw/zinc/84/05/76/368840576.db2.gz ZFNSORQJCUSKFP-XIRDDKMYSA-N 2 1 276.424 2.115 20 0 CEADMP CCOCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666530 368840752 /nfs/dbraw/zinc/84/07/52/368840752.db2.gz GVGPJZJRDZKEKA-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CCc1nccn1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634647492 368794545 /nfs/dbraw/zinc/79/45/45/368794545.db2.gz ZFLVVEUFNRNBSD-QGZVFWFLSA-N 2 1 285.391 2.083 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000348015256 368858830 /nfs/dbraw/zinc/85/88/30/368858830.db2.gz TYKMVCBBCSQRMH-CVEARBPZSA-N 2 1 270.461 2.495 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348087164 368891650 /nfs/dbraw/zinc/89/16/50/368891650.db2.gz OTJLHMFKSKSWPI-AGIUHOORSA-N 2 1 294.361 2.418 20 0 CEADMP CC[C@H](C)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000348315104 368998896 /nfs/dbraw/zinc/99/88/96/368998896.db2.gz CWDLEJNSEBHUSL-XHSDSOJGSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991726 369020172 /nfs/dbraw/zinc/02/01/72/369020172.db2.gz PRNSUZXERNXARH-KBPBESRZSA-N 2 1 296.418 2.500 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1C[NH3+] ZINC000634998265 369029361 /nfs/dbraw/zinc/02/93/61/369029361.db2.gz CTJQEYNPJNDTHK-GXTWGEPZSA-N 2 1 288.370 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C[NH3+] ZINC000634999633 369035178 /nfs/dbraw/zinc/03/51/78/369035178.db2.gz XDHJYWCJGJWRTP-VXGBXAGGSA-N 2 1 290.436 2.175 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000635003181 369038026 /nfs/dbraw/zinc/03/80/26/369038026.db2.gz GXIJQDCGRVWZOV-UBDQQSCGSA-N 2 1 287.451 2.224 20 0 CEADMP c1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c2c(c1)C[NH2+]CC2 ZINC000635005686 369041749 /nfs/dbraw/zinc/04/17/49/369041749.db2.gz WGHISTLGTSALMN-IPMKNSEASA-N 2 1 299.462 2.343 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635008272 369044031 /nfs/dbraw/zinc/04/40/31/369044031.db2.gz RHNINPJHRYHYLR-KYJSFNMBSA-N 2 1 287.451 2.019 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635008272 369044035 /nfs/dbraw/zinc/04/40/35/369044035.db2.gz RHNINPJHRYHYLR-KYJSFNMBSA-N 2 1 287.451 2.019 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348286784 368985285 /nfs/dbraw/zinc/98/52/85/368985285.db2.gz GRPKCOJBBFUKDD-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CN(C)C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348286784 368985287 /nfs/dbraw/zinc/98/52/87/368985287.db2.gz GRPKCOJBBFUKDD-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CN(C)C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348286784 368985290 /nfs/dbraw/zinc/98/52/90/368985290.db2.gz GRPKCOJBBFUKDD-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C)C2CCSCC2)CC1 ZINC000187066397 369096098 /nfs/dbraw/zinc/09/60/98/369096098.db2.gz PTTVFDKVFXRSGI-CYBMUJFWSA-N 2 1 286.485 2.219 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)c2nccn21 ZINC000635012001 369049787 /nfs/dbraw/zinc/04/97/87/369049787.db2.gz SBUVJALCYBQGNF-LRDDRELGSA-N 2 1 282.391 2.324 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@H]3C[NH3+])C2)cc1 ZINC000635012064 369049905 /nfs/dbraw/zinc/04/99/05/369049905.db2.gz IYGKFHKAYOYZJQ-OKZBNKHCSA-N 2 1 287.451 2.286 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@H]3C[NH3+])C2)cc1 ZINC000635012064 369049915 /nfs/dbraw/zinc/04/99/15/369049915.db2.gz IYGKFHKAYOYZJQ-OKZBNKHCSA-N 2 1 287.451 2.286 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348458608 369051333 /nfs/dbraw/zinc/05/13/33/369051333.db2.gz QVKJUIPAYRMHLP-VXGBXAGGSA-N 2 1 273.327 2.332 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCSCC1 ZINC000187187565 369118178 /nfs/dbraw/zinc/11/81/78/369118178.db2.gz SNVNVVNMZOKZDE-STQMWFEESA-N 2 1 256.459 2.450 20 0 CEADMP CN(CC[N@@H+](C)C[C@@H]1CC=CCC1)C1CC[NH+](C)CC1 ZINC000349083851 369239147 /nfs/dbraw/zinc/23/91/47/369239147.db2.gz ZPMDBEXEWXKEAE-MRXNPFEDSA-N 2 1 279.472 2.301 20 0 CEADMP Cc1ncc([C@H](C)N(C)C[C@H]2CC[N@@H+](C)C2)c(C)n1 ZINC000639079937 370953421 /nfs/dbraw/zinc/95/34/21/370953421.db2.gz HIOTXPBLLCPWPK-JSGCOSHPSA-N 2 1 262.401 2.038 20 0 CEADMP CC[N@@H+]1C[C@H](NC[C@@H]2CCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000358219197 370957015 /nfs/dbraw/zinc/95/70/15/370957015.db2.gz FJYMKXHYRCTFBL-JYJNAYRXSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](NC[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](C)C1 ZINC000358219197 370957018 /nfs/dbraw/zinc/95/70/18/370957018.db2.gz FJYMKXHYRCTFBL-JYJNAYRXSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](NC[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](C)C1 ZINC000358219197 370957022 /nfs/dbraw/zinc/95/70/22/370957022.db2.gz FJYMKXHYRCTFBL-JYJNAYRXSA-N 2 1 267.461 2.037 20 0 CEADMP Cc1cc([C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C2CC2)ccc1F ZINC000358229301 370962135 /nfs/dbraw/zinc/96/21/35/370962135.db2.gz GJFGBIISBVFPMO-IRXDYDNUSA-N 2 1 292.398 2.241 20 0 CEADMP Cc1cc([C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C2CC2)ccc1F ZINC000358229301 370962139 /nfs/dbraw/zinc/96/21/39/370962139.db2.gz GJFGBIISBVFPMO-IRXDYDNUSA-N 2 1 292.398 2.241 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC(OC(C)C)C2)C1 ZINC000189524273 369531807 /nfs/dbraw/zinc/53/18/07/369531807.db2.gz FRYQTPFHXUUXAS-WLYUNCDWSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1cccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1C ZINC000358265289 370982174 /nfs/dbraw/zinc/98/21/74/370982174.db2.gz ZLRDKKJWVSYJMY-HOCLYGCPSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1cccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1C ZINC000358265289 370982180 /nfs/dbraw/zinc/98/21/80/370982180.db2.gz ZLRDKKJWVSYJMY-HOCLYGCPSA-N 2 1 262.397 2.021 20 0 CEADMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12)CC(C)(C)C ZINC000636142518 369530861 /nfs/dbraw/zinc/53/08/61/369530861.db2.gz MCRDWSILQQLHNU-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)CC(C)(C)C ZINC000636142518 369530864 /nfs/dbraw/zinc/53/08/64/369530864.db2.gz MCRDWSILQQLHNU-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)CC(C)(C)C ZINC000636142518 369530870 /nfs/dbraw/zinc/53/08/70/369530870.db2.gz MCRDWSILQQLHNU-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@H](C[N@H+](C)CC)C1 ZINC000276295592 193275401 /nfs/dbraw/zinc/27/54/01/193275401.db2.gz QQWXLFFORQICNS-CYBMUJFWSA-N 2 1 291.395 2.036 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000276295592 193275403 /nfs/dbraw/zinc/27/54/03/193275403.db2.gz QQWXLFFORQICNS-CYBMUJFWSA-N 2 1 291.395 2.036 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351180810 369620025 /nfs/dbraw/zinc/62/00/25/369620025.db2.gz HQUYSEBRHZRNEY-HZPDHXFCSA-N 2 1 267.461 2.277 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+][C@]1(C)CCCc2ccccc21)C1CC1 ZINC000351595614 369642740 /nfs/dbraw/zinc/64/27/40/369642740.db2.gz RNGBQUNAIYKFTQ-SJLPKXTDSA-N 2 1 288.435 2.283 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+][C@]1(C)CCCc2ccccc21)C1CC1 ZINC000351595614 369642744 /nfs/dbraw/zinc/64/27/44/369642744.db2.gz RNGBQUNAIYKFTQ-SJLPKXTDSA-N 2 1 288.435 2.283 20 0 CEADMP CCCC[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000352393108 369706709 /nfs/dbraw/zinc/70/67/09/369706709.db2.gz YPBBTAFHGKWWLD-CQSZACIVSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1nncn1C)C(C)C ZINC000352463854 369742599 /nfs/dbraw/zinc/74/25/99/369742599.db2.gz LIQWHEHDZVGECD-CQSZACIVSA-N 2 1 290.415 2.087 20 0 CEADMP CC(C)C1CCC(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000352738023 369861616 /nfs/dbraw/zinc/86/16/16/369861616.db2.gz LQPPNWMVKHNVQF-UYSNPLJNSA-N 2 1 268.445 2.105 20 0 CEADMP CC(C)C1CCC(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000352738023 369861620 /nfs/dbraw/zinc/86/16/20/369861620.db2.gz LQPPNWMVKHNVQF-UYSNPLJNSA-N 2 1 268.445 2.105 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CCCc2ccccn2)s1 ZINC000352760048 369871417 /nfs/dbraw/zinc/87/14/17/369871417.db2.gz NEXUDLYYEXFWOX-UHFFFAOYSA-N 2 1 290.436 2.322 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CC2(C)COC2)C1 ZINC000352771173 369875638 /nfs/dbraw/zinc/87/56/38/369875638.db2.gz NCLUDNCYJWXHLD-GASCZTMLSA-N 2 1 268.445 2.371 20 0 CEADMP COC(C)(C)C[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352781887 369876220 /nfs/dbraw/zinc/87/62/20/369876220.db2.gz ACJHTYBBSPQRBK-NSHDSACASA-N 2 1 285.457 2.498 20 0 CEADMP CCC[N@@H+]1CC[C@@H](CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352835784 369903499 /nfs/dbraw/zinc/90/34/99/369903499.db2.gz YQLFJZFKFARNCS-ZDUSSCGKSA-N 2 1 296.484 2.026 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352835784 369903502 /nfs/dbraw/zinc/90/35/02/369903502.db2.gz YQLFJZFKFARNCS-ZDUSSCGKSA-N 2 1 296.484 2.026 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000352912160 369945921 /nfs/dbraw/zinc/94/59/21/369945921.db2.gz RQTANVZIDVAUDP-NVXWUHKLSA-N 2 1 298.471 2.138 20 0 CEADMP C[NH+]1CCC([NH2+]CC2(C(F)(F)F)CCC2)CC1 ZINC000353087607 370013159 /nfs/dbraw/zinc/01/31/59/370013159.db2.gz OLGBLRFIFXWLFL-UHFFFAOYSA-N 2 1 250.308 2.403 20 0 CEADMP C[N@@H+](C[C@H](O)C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353156862 370044452 /nfs/dbraw/zinc/04/44/52/370044452.db2.gz SSULBSSGPURXRJ-WFVVYAPDSA-N 2 1 280.456 2.485 20 0 CEADMP C[NH+](C[C@H](O)C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353156862 370044457 /nfs/dbraw/zinc/04/44/57/370044457.db2.gz SSULBSSGPURXRJ-WFVVYAPDSA-N 2 1 280.456 2.485 20 0 CEADMP C[NH+](C[C@H](O)C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353156862 370044463 /nfs/dbraw/zinc/04/44/63/370044463.db2.gz SSULBSSGPURXRJ-WFVVYAPDSA-N 2 1 280.456 2.485 20 0 CEADMP CC[NH2+]Cc1cccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000637808997 370080882 /nfs/dbraw/zinc/08/08/82/370080882.db2.gz OVXOIWIFXMLKEP-AWEZNQCLSA-N 2 1 275.396 2.076 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCCC2)[C@H]1C ZINC000353919162 370135942 /nfs/dbraw/zinc/13/59/42/370135942.db2.gz WUSYCKNKAPQUDS-KKUMJFAQSA-N 2 1 296.455 2.428 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000353947181 370149696 /nfs/dbraw/zinc/14/96/96/370149696.db2.gz YKFDWZDVLQGSLY-UHFFFAOYSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000353978340 370161075 /nfs/dbraw/zinc/16/10/75/370161075.db2.gz KJHNNQIBKSOSRW-VHSXEESVSA-N 2 1 250.308 2.259 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC000354085858 370211347 /nfs/dbraw/zinc/21/13/47/370211347.db2.gz ZGPFYQKHOBRPAB-CQSZACIVSA-N 2 1 297.468 2.384 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC000354085858 370211350 /nfs/dbraw/zinc/21/13/50/370211350.db2.gz ZGPFYQKHOBRPAB-CQSZACIVSA-N 2 1 297.468 2.384 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])CCC(C)C)C[C@H]1C ZINC000638121580 370318327 /nfs/dbraw/zinc/31/83/27/370318327.db2.gz GXQHSHULGCWFPX-ILXRZTDVSA-N 2 1 283.460 2.081 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000354221546 370267938 /nfs/dbraw/zinc/26/79/38/370267938.db2.gz HCQAUQIOAVJLKU-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH2+][C@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000638111622 370307431 /nfs/dbraw/zinc/30/74/31/370307431.db2.gz OJFCFUAGRYAXPI-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccn(C(F)F)c2=O)CC[N@@H+]1C ZINC000638115214 370313280 /nfs/dbraw/zinc/31/32/80/370313280.db2.gz BSVSIQKKIAYPCX-DGCLKSJQSA-N 2 1 299.365 2.158 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccn(C(F)F)c2=O)CC[N@H+]1C ZINC000638115214 370313289 /nfs/dbraw/zinc/31/32/89/370313289.db2.gz BSVSIQKKIAYPCX-DGCLKSJQSA-N 2 1 299.365 2.158 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccn(C(F)F)c2=O)CC[NH+]1C ZINC000638115214 370313295 /nfs/dbraw/zinc/31/32/95/370313295.db2.gz BSVSIQKKIAYPCX-DGCLKSJQSA-N 2 1 299.365 2.158 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccn(C(F)F)c2=O)CC[NH+]1C ZINC000638115214 370313302 /nfs/dbraw/zinc/31/33/02/370313302.db2.gz BSVSIQKKIAYPCX-DGCLKSJQSA-N 2 1 299.365 2.158 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)OC ZINC000638176054 370357958 /nfs/dbraw/zinc/35/79/58/370357958.db2.gz BTDBDKVPAXSQBS-JJXSEGSLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)OC ZINC000638176054 370357960 /nfs/dbraw/zinc/35/79/60/370357960.db2.gz BTDBDKVPAXSQBS-JJXSEGSLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)OC ZINC000638176054 370357961 /nfs/dbraw/zinc/35/79/61/370357961.db2.gz BTDBDKVPAXSQBS-JJXSEGSLSA-N 2 1 268.445 2.464 20 0 CEADMP CCC[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)OC ZINC000638178732 370359068 /nfs/dbraw/zinc/35/90/68/370359068.db2.gz PFGQQLWEUQZBKK-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)OC ZINC000638178732 370359069 /nfs/dbraw/zinc/35/90/69/370359069.db2.gz PFGQQLWEUQZBKK-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)OC ZINC000638178732 370359070 /nfs/dbraw/zinc/35/90/70/370359070.db2.gz PFGQQLWEUQZBKK-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000227120613 370360450 /nfs/dbraw/zinc/36/04/50/370360450.db2.gz MKYQNCLHJZXPTQ-ZNMIVQPWSA-N 2 1 277.412 2.134 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)OC ZINC000638184650 370364288 /nfs/dbraw/zinc/36/42/88/370364288.db2.gz ZISVXJIWTVLRRA-NNXHMXCWSA-N 2 1 298.471 2.231 20 0 CEADMP CO[C@@](C)(C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C1CC1 ZINC000638131466 370325648 /nfs/dbraw/zinc/32/56/48/370325648.db2.gz CALJOFMGSMWOMH-RDJZCZTQSA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@@](C)(C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CC1 ZINC000638131466 370325654 /nfs/dbraw/zinc/32/56/54/370325654.db2.gz CALJOFMGSMWOMH-RDJZCZTQSA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@@](C)(C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CC1 ZINC000638131466 370325657 /nfs/dbraw/zinc/32/56/57/370325657.db2.gz CALJOFMGSMWOMH-RDJZCZTQSA-N 2 1 280.456 2.465 20 0 CEADMP CCC[C@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)OC ZINC000638135601 370329771 /nfs/dbraw/zinc/32/97/71/370329771.db2.gz ULOJRZUJYDNIOJ-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)OC ZINC000638135601 370329775 /nfs/dbraw/zinc/32/97/75/370329775.db2.gz ULOJRZUJYDNIOJ-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)OC ZINC000638135601 370329778 /nfs/dbraw/zinc/32/97/78/370329778.db2.gz ULOJRZUJYDNIOJ-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP C[N@@H+](CCCOc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000226436439 370342194 /nfs/dbraw/zinc/34/21/94/370342194.db2.gz BDKNYQXQTWYPAA-HNNXBMFYSA-N 2 1 262.397 2.387 20 0 CEADMP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000638280400 370418484 /nfs/dbraw/zinc/41/84/84/370418484.db2.gz FFSUZORRGIHQEK-GJZGRUSLSA-N 2 1 295.471 2.288 20 0 CEADMP C([NH2+]CC1CCSCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000638361040 370470799 /nfs/dbraw/zinc/47/07/99/370470799.db2.gz ZOVAQIXPERIPOU-CYBMUJFWSA-N 2 1 254.443 2.204 20 0 CEADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CCCc2cnn(C)c2)C1 ZINC000638409699 370509921 /nfs/dbraw/zinc/50/99/21/370509921.db2.gz OYXKXBNHBUWJGA-OAHLLOKOSA-N 2 1 292.471 2.453 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CCCc2cnn(C)c2)C1 ZINC000638409699 370509926 /nfs/dbraw/zinc/50/99/26/370509926.db2.gz OYXKXBNHBUWJGA-OAHLLOKOSA-N 2 1 292.471 2.453 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CCCc1cnn(C)c1 ZINC000638412739 370511329 /nfs/dbraw/zinc/51/13/29/370511329.db2.gz KXTMDNCWNNGTAC-GJZGRUSLSA-N 2 1 278.444 2.063 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CCCc1cnn(C)c1 ZINC000638412739 370511335 /nfs/dbraw/zinc/51/13/35/370511335.db2.gz KXTMDNCWNNGTAC-GJZGRUSLSA-N 2 1 278.444 2.063 20 0 CEADMP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000638413334 370512537 /nfs/dbraw/zinc/51/25/37/370512537.db2.gz TVAUXXZCWYAVPI-UGUYLWEFSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000638413334 370512543 /nfs/dbraw/zinc/51/25/43/370512543.db2.gz TVAUXXZCWYAVPI-UGUYLWEFSA-N 2 1 295.471 2.144 20 0 CEADMP CO[C@H](C[NH2+]CCCn1cc[nH+]c1C)C1CCCC1 ZINC000638387781 370491857 /nfs/dbraw/zinc/49/18/57/370491857.db2.gz WSRHEQHGFWPYHS-OAHLLOKOSA-N 2 1 265.401 2.376 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1C[NH+](CC)C[C@H]1C ZINC000343988897 217005209 /nfs/dbraw/zinc/00/52/09/217005209.db2.gz OWLNIEGMHLHXAB-ILXRZTDVSA-N 2 1 255.450 2.037 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1C[N@H+](CC)C[C@H]1C ZINC000343988897 217005211 /nfs/dbraw/zinc/00/52/11/217005211.db2.gz OWLNIEGMHLHXAB-ILXRZTDVSA-N 2 1 255.450 2.037 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1C[N@@H+](CC)C[C@H]1C ZINC000343988897 217005214 /nfs/dbraw/zinc/00/52/14/217005214.db2.gz OWLNIEGMHLHXAB-ILXRZTDVSA-N 2 1 255.450 2.037 20 0 CEADMP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000351867346 284230003 /nfs/dbraw/zinc/23/00/03/284230003.db2.gz XPUFDMBVOJLRPP-ILXRZTDVSA-N 2 1 289.423 2.097 20 0 CEADMP CCN(C(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000351867346 284230005 /nfs/dbraw/zinc/23/00/05/284230005.db2.gz XPUFDMBVOJLRPP-ILXRZTDVSA-N 2 1 289.423 2.097 20 0 CEADMP CC(C)C[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000236680832 370607040 /nfs/dbraw/zinc/60/70/40/370607040.db2.gz NBJWLAWUFRHPFO-CABCVRRESA-N 2 1 283.460 2.131 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CS1 ZINC000638558655 370604766 /nfs/dbraw/zinc/60/47/66/370604766.db2.gz ZTSJFKCKGXSXSG-KGLIPLIRSA-N 2 1 284.469 2.115 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000236739479 370617313 /nfs/dbraw/zinc/61/73/13/370617313.db2.gz DDHKJBUZBOOOME-LSDHHAIUSA-N 2 1 283.460 2.275 20 0 CEADMP CCC[C@@H]([NH3+])C(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000236813772 370633256 /nfs/dbraw/zinc/63/32/56/370633256.db2.gz IHEFRWBTQHWXED-CQSZACIVSA-N 2 1 275.396 2.478 20 0 CEADMP CCC[C@@H]([NH3+])C(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000236813772 370633259 /nfs/dbraw/zinc/63/32/59/370633259.db2.gz IHEFRWBTQHWXED-CQSZACIVSA-N 2 1 275.396 2.478 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)[C@@H](C)C1 ZINC000358291027 370995878 /nfs/dbraw/zinc/99/58/78/370995878.db2.gz FQVQFHFKMMZPNM-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000247022905 371048637 /nfs/dbraw/zinc/04/86/37/371048637.db2.gz NBGDATQRKOAMTR-ZNMIVQPWSA-N 2 1 254.418 2.121 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@H](c2nccn2C)C1)OC ZINC000639176675 371052916 /nfs/dbraw/zinc/05/29/16/371052916.db2.gz IYSWNVWWIKFAPS-IHRRRGAJSA-N 2 1 265.401 2.271 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[NH+](C)C[C@H]1C ZINC000358340998 371023651 /nfs/dbraw/zinc/02/36/51/371023651.db2.gz NGKXNBNOLFDMCQ-BZUAXINKSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1C[NH+](C)C[C@H]1C ZINC000358340998 371023655 /nfs/dbraw/zinc/02/36/55/371023655.db2.gz NGKXNBNOLFDMCQ-BZUAXINKSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1C[N@H+](C)C[C@H]1C ZINC000358340998 371023660 /nfs/dbraw/zinc/02/36/60/371023660.db2.gz NGKXNBNOLFDMCQ-BZUAXINKSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000358340998 371023661 /nfs/dbraw/zinc/02/36/61/371023661.db2.gz NGKXNBNOLFDMCQ-BZUAXINKSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)n1ncnc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639176131 371051630 /nfs/dbraw/zinc/05/16/30/371051630.db2.gz CLWXUHNJHBPVCC-OAHLLOKOSA-N 2 1 291.443 2.023 20 0 CEADMP CC(C)n1ncnc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639176131 371051633 /nfs/dbraw/zinc/05/16/33/371051633.db2.gz CLWXUHNJHBPVCC-OAHLLOKOSA-N 2 1 291.443 2.023 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCO2)[C@@H](C)C1 ZINC000246890739 371026638 /nfs/dbraw/zinc/02/66/38/371026638.db2.gz FKHHTNRRBICYEA-BBWFWOEESA-N 2 1 298.471 2.282 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000246965172 371039796 /nfs/dbraw/zinc/03/97/96/371039796.db2.gz PTOGDNUSRQKVBO-WCVJEAGWSA-N 2 1 295.471 2.048 20 0 CEADMP CO[C@H](C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)CC(C)C ZINC000639170795 371042642 /nfs/dbraw/zinc/04/26/42/371042642.db2.gz YSZMENGAHQNFKE-CABCVRRESA-N 2 1 256.434 2.367 20 0 CEADMP COCC1(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)CCC1 ZINC000639177811 371054488 /nfs/dbraw/zinc/05/44/88/371054488.db2.gz GYIZUAQHYUSCKC-LSDHHAIUSA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@H]2C)CC1 ZINC000358409744 371054466 /nfs/dbraw/zinc/05/44/66/371054466.db2.gz ILTVRJBXTZPKIN-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H](C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000247105962 371064660 /nfs/dbraw/zinc/06/46/60/371064660.db2.gz SSYCNHBWIHBVMM-IKGGRYGDSA-N 2 1 281.488 2.427 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCF)[C@@H](C)C1 ZINC000247279840 371086811 /nfs/dbraw/zinc/08/68/11/371086811.db2.gz SRWWXBCWVCVSAE-KBPBESRZSA-N 2 1 260.397 2.073 20 0 CEADMP CO[C@](C)(C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C1CC1 ZINC000639207326 371096044 /nfs/dbraw/zinc/09/60/44/371096044.db2.gz GYBHUALTTZHNOO-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@](C)(C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)C1CC1 ZINC000639207326 371096050 /nfs/dbraw/zinc/09/60/50/371096050.db2.gz GYBHUALTTZHNOO-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@](C)(C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)C1CC1 ZINC000639207326 371096055 /nfs/dbraw/zinc/09/60/55/371096055.db2.gz GYBHUALTTZHNOO-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](CO)C(C)C ZINC000639246939 371144146 /nfs/dbraw/zinc/14/41/46/371144146.db2.gz PUNMACWGVAJSRC-FXUDXRNXSA-N 2 1 270.461 2.348 20 0 CEADMP CC(C)[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](CO)C(C)C ZINC000639246939 371144150 /nfs/dbraw/zinc/14/41/50/371144150.db2.gz PUNMACWGVAJSRC-FXUDXRNXSA-N 2 1 270.461 2.348 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)CC[N@@H+]1C ZINC000639232081 371125718 /nfs/dbraw/zinc/12/57/18/371125718.db2.gz ABENXUNNTZMWPE-MXASKKJJSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)CC[N@H+]1C ZINC000639232081 371125725 /nfs/dbraw/zinc/12/57/25/371125725.db2.gz ABENXUNNTZMWPE-MXASKKJJSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H](O)C(F)F)CC2)C1 ZINC000358657190 371159135 /nfs/dbraw/zinc/15/91/35/371159135.db2.gz ZCRRWTKAMAOWJP-XBFCOCLRSA-N 2 1 290.398 2.245 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC[N@@H+]1C ZINC000639264382 371164670 /nfs/dbraw/zinc/16/46/70/371164670.db2.gz DLPZCHPGUNUREI-NGHVJFNESA-N 2 1 292.467 2.246 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000639264382 371164671 /nfs/dbraw/zinc/16/46/71/371164671.db2.gz DLPZCHPGUNUREI-NGHVJFNESA-N 2 1 292.467 2.246 20 0 CEADMP CCNC(=O)C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000358740039 371199591 /nfs/dbraw/zinc/19/95/91/371199591.db2.gz GYTWDAZVOVAOHR-UHFFFAOYSA-N 2 1 297.487 2.203 20 0 CEADMP CC[C@H](C)[C@@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)OC ZINC000639334241 371243620 /nfs/dbraw/zinc/24/36/20/371243620.db2.gz AZERWNQAWFREDN-ARFHVFGLSA-N 2 1 286.460 2.090 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248825449 371251225 /nfs/dbraw/zinc/25/12/25/371251225.db2.gz GAFARXKOMHCLLA-OIYCOIKZSA-N 2 1 278.396 2.306 20 0 CEADMP CC[NH2+][C@@H](C)CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000358911998 371263347 /nfs/dbraw/zinc/26/33/47/371263347.db2.gz FCMADAXAVQAEBJ-SMDDNHRTSA-N 2 1 297.830 2.057 20 0 CEADMP COc1cc(C)c(CN(C)C[C@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000359227654 371386390 /nfs/dbraw/zinc/38/63/90/371386390.db2.gz OVUUWAYWGNJPEY-HNNXBMFYSA-N 2 1 291.439 2.481 20 0 CEADMP COc1cc(C)c(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)n1 ZINC000359227654 371386396 /nfs/dbraw/zinc/38/63/96/371386396.db2.gz OVUUWAYWGNJPEY-HNNXBMFYSA-N 2 1 291.439 2.481 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)n1 ZINC000359227654 371386403 /nfs/dbraw/zinc/38/64/03/371386403.db2.gz OVUUWAYWGNJPEY-HNNXBMFYSA-N 2 1 291.439 2.481 20 0 CEADMP COc1cc(C)c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000359227654 371386409 /nfs/dbraw/zinc/38/64/09/371386409.db2.gz OVUUWAYWGNJPEY-HNNXBMFYSA-N 2 1 291.439 2.481 20 0 CEADMP COc1cc(C)c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000359227654 371386417 /nfs/dbraw/zinc/38/64/17/371386417.db2.gz OVUUWAYWGNJPEY-HNNXBMFYSA-N 2 1 291.439 2.481 20 0 CEADMP C[N@@H+](CCCn1ccnc1)C[C@@H]1CC(C)(C)CO1 ZINC000639551368 371400579 /nfs/dbraw/zinc/40/05/79/371400579.db2.gz JYXFSGLEOOUQQB-ZDUSSCGKSA-N 2 1 251.374 2.020 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000639506946 371370015 /nfs/dbraw/zinc/37/00/15/371370015.db2.gz DVZIQWDPPLWABF-CWRNSKLLSA-N 2 1 266.429 2.075 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000639506946 371370022 /nfs/dbraw/zinc/37/00/22/371370022.db2.gz DVZIQWDPPLWABF-CWRNSKLLSA-N 2 1 266.429 2.075 20 0 CEADMP O[C@]1(C[NH2+]C2(C3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639577906 371418923 /nfs/dbraw/zinc/41/89/23/371418923.db2.gz MACMHUAJPVIDLW-KRWDZBQOSA-N 2 1 286.419 2.156 20 0 CEADMP O[C@]1(C[NH2+]C2(C3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639577906 371418929 /nfs/dbraw/zinc/41/89/29/371418929.db2.gz MACMHUAJPVIDLW-KRWDZBQOSA-N 2 1 286.419 2.156 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H]1C ZINC000639511130 371374194 /nfs/dbraw/zinc/37/41/94/371374194.db2.gz MWDXRHFTTSHTLI-NUJGCVRESA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H]1C ZINC000639511130 371374200 /nfs/dbraw/zinc/37/42/00/371374200.db2.gz MWDXRHFTTSHTLI-NUJGCVRESA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000639511130 371374206 /nfs/dbraw/zinc/37/42/06/371374206.db2.gz MWDXRHFTTSHTLI-NUJGCVRESA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000639511130 371374210 /nfs/dbraw/zinc/37/42/10/371374210.db2.gz MWDXRHFTTSHTLI-NUJGCVRESA-N 2 1 288.435 2.354 20 0 CEADMP CC[C@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639514554 371378038 /nfs/dbraw/zinc/37/80/38/371378038.db2.gz RPNCDODYUBBXKX-FUHWJXTLSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639514554 371378045 /nfs/dbraw/zinc/37/80/45/371378045.db2.gz RPNCDODYUBBXKX-FUHWJXTLSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639514554 371378049 /nfs/dbraw/zinc/37/80/49/371378049.db2.gz RPNCDODYUBBXKX-FUHWJXTLSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639514554 371378053 /nfs/dbraw/zinc/37/80/53/371378053.db2.gz RPNCDODYUBBXKX-FUHWJXTLSA-N 2 1 288.435 2.355 20 0 CEADMP COC1CCC([N@@H+](C)CCC2CC[NH2+]CC2)CC1 ZINC000359226537 371384691 /nfs/dbraw/zinc/38/46/91/371384691.db2.gz VGXCNCLOKWNBAU-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1ncsc1CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252856353 371484325 /nfs/dbraw/zinc/48/43/25/371484325.db2.gz KSZPWAGZOHLCIX-RWMBFGLXSA-N 2 1 265.426 2.053 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000252179898 371432879 /nfs/dbraw/zinc/43/28/79/371432879.db2.gz PUTHFWMJHPAEPH-UBDQQSCGSA-N 2 1 290.451 2.428 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000252179898 371432885 /nfs/dbraw/zinc/43/28/85/371432885.db2.gz PUTHFWMJHPAEPH-UBDQQSCGSA-N 2 1 290.451 2.428 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H]2C2CC2)CC1 ZINC000359368754 371449516 /nfs/dbraw/zinc/44/95/16/371449516.db2.gz FJHRVCRPXWTJRM-IRXDYDNUSA-N 2 1 279.472 2.182 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000359369393 371449750 /nfs/dbraw/zinc/44/97/50/371449750.db2.gz JDLUNNBBTVSCDO-NJAFHUGGSA-N 2 1 289.467 2.089 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](Cc1ccccc1)N(C)C ZINC000359369393 371449754 /nfs/dbraw/zinc/44/97/54/371449754.db2.gz JDLUNNBBTVSCDO-NJAFHUGGSA-N 2 1 289.467 2.089 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](Cc1ccccc1)N(C)C ZINC000359369393 371449762 /nfs/dbraw/zinc/44/97/62/371449762.db2.gz JDLUNNBBTVSCDO-NJAFHUGGSA-N 2 1 289.467 2.089 20 0 CEADMP CCCCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252550259 371454236 /nfs/dbraw/zinc/45/42/36/371454236.db2.gz OMRCQCKUVCFPHT-SOUVJXGZSA-N 2 1 254.418 2.408 20 0 CEADMP CCCCC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252550259 371454238 /nfs/dbraw/zinc/45/42/38/371454238.db2.gz OMRCQCKUVCFPHT-SOUVJXGZSA-N 2 1 254.418 2.408 20 0 CEADMP COC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252845055 371482082 /nfs/dbraw/zinc/48/20/82/371482082.db2.gz DXZWCWYDIKDORZ-FUUBYGMNSA-N 2 1 252.402 2.160 20 0 CEADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000252844264 371482194 /nfs/dbraw/zinc/48/21/94/371482194.db2.gz DNYXPHNCLKBQJK-WCFLWFBJSA-N 2 1 251.399 2.011 20 0 CEADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000252844264 371482196 /nfs/dbraw/zinc/48/21/96/371482196.db2.gz DNYXPHNCLKBQJK-WCFLWFBJSA-N 2 1 251.399 2.011 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000253359196 371510536 /nfs/dbraw/zinc/51/05/36/371510536.db2.gz GRLCZBNEIZEAJV-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCc3cccnc3)C2)CC1 ZINC000639755828 371547214 /nfs/dbraw/zinc/54/72/14/371547214.db2.gz ODCDYSAVRQQHJM-UHFFFAOYSA-N 2 1 259.397 2.042 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c(C)s1 ZINC000639761339 371548206 /nfs/dbraw/zinc/54/82/06/371548206.db2.gz ANCMAZYOJVAUBS-HNNXBMFYSA-N 2 1 282.453 2.253 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c(C)s1 ZINC000639761339 371548216 /nfs/dbraw/zinc/54/82/16/371548216.db2.gz ANCMAZYOJVAUBS-HNNXBMFYSA-N 2 1 282.453 2.253 20 0 CEADMP CC[C@H](C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)OC ZINC000639684092 371492657 /nfs/dbraw/zinc/49/26/57/371492657.db2.gz QPGJHPATEHLJLO-OAHLLOKOSA-N 2 1 263.385 2.019 20 0 CEADMP c1cc(N2CCC[N@H+](CCOCC3CCC3)CC2)cc[nH+]1 ZINC000639683875 371493301 /nfs/dbraw/zinc/49/33/01/371493301.db2.gz NDFYNICAGHYQEN-UHFFFAOYSA-N 2 1 289.423 2.410 20 0 CEADMP CC(C)(C)[C@@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684194 371494113 /nfs/dbraw/zinc/49/41/13/371494113.db2.gz TUIRNGGNOXWWAK-HNNXBMFYSA-N 2 1 277.412 2.001 20 0 CEADMP COc1ccc(C)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257638629 371614612 /nfs/dbraw/zinc/61/46/12/371614612.db2.gz AFWGHFCPFYFVQJ-INIZCTEOSA-N 2 1 260.381 2.189 20 0 CEADMP COc1ccc(C)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257638629 371614616 /nfs/dbraw/zinc/61/46/16/371614616.db2.gz AFWGHFCPFYFVQJ-INIZCTEOSA-N 2 1 260.381 2.189 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000261608332 371675926 /nfs/dbraw/zinc/67/59/26/371675926.db2.gz DJLIOBPXPIZABE-ZFWWWQNUSA-N 2 1 290.407 2.054 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000261608332 371675930 /nfs/dbraw/zinc/67/59/30/371675930.db2.gz DJLIOBPXPIZABE-ZFWWWQNUSA-N 2 1 290.407 2.054 20 0 CEADMP c1cnn(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)c1 ZINC000261611853 371677084 /nfs/dbraw/zinc/67/70/84/371677084.db2.gz DZJDXDDHVBHKDR-DOTOQJQBSA-N 2 1 282.391 2.056 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000259145832 371623112 /nfs/dbraw/zinc/62/31/12/371623112.db2.gz UWDWTRUOBKTYGJ-UWVGGRQHSA-N 2 1 275.215 2.480 20 0 CEADMP C[C@@H](NC1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261541744 371639564 /nfs/dbraw/zinc/63/95/64/371639564.db2.gz GEKJRWDWEXRRQV-WBVHZDCISA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261541744 371639566 /nfs/dbraw/zinc/63/95/66/371639566.db2.gz GEKJRWDWEXRRQV-WBVHZDCISA-N 3 1 287.451 2.239 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261541744 371639567 /nfs/dbraw/zinc/63/95/67/371639567.db2.gz GEKJRWDWEXRRQV-WBVHZDCISA-N 3 1 287.451 2.239 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261783153 371730855 /nfs/dbraw/zinc/73/08/55/371730855.db2.gz PTDOLDQCKFQHOF-JKSUJKDBSA-N 2 1 274.408 2.366 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261783153 371730858 /nfs/dbraw/zinc/73/08/58/371730858.db2.gz PTDOLDQCKFQHOF-JKSUJKDBSA-N 2 1 274.408 2.366 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261811050 371740421 /nfs/dbraw/zinc/74/04/21/371740421.db2.gz WWQAVEROBIIADG-KFWWJZLASA-N 2 1 254.418 2.252 20 0 CEADMP c1cnc2c(c1)cccc2C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261627198 371684123 /nfs/dbraw/zinc/68/41/23/371684123.db2.gz AVZGHGUSNJRQGN-QGZVFWFLSA-N 2 1 267.376 2.420 20 0 CEADMP FC(F)Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261641972 371687836 /nfs/dbraw/zinc/68/78/36/371687836.db2.gz CKPNGZTZRQRXKR-GXTWGEPZSA-N 2 1 282.334 2.472 20 0 CEADMP FC(F)Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261641972 371687851 /nfs/dbraw/zinc/68/78/51/371687851.db2.gz CKPNGZTZRQRXKR-GXTWGEPZSA-N 2 1 282.334 2.472 20 0 CEADMP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261646667 371689707 /nfs/dbraw/zinc/68/97/07/371689707.db2.gz DRIGGBJXJKGYDO-GXSJLCMTSA-N 2 1 250.308 2.259 20 0 CEADMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000261669471 371697852 /nfs/dbraw/zinc/69/78/52/371697852.db2.gz FUCBQNDGOINFKS-DOTOQJQBSA-N 2 1 273.424 2.036 20 0 CEADMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000261669475 371698263 /nfs/dbraw/zinc/69/82/63/371698263.db2.gz FUCBQNDGOINFKS-NVXWUHKLSA-N 2 1 273.424 2.036 20 0 CEADMP COCCC[C@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361175164 371698762 /nfs/dbraw/zinc/69/87/62/371698762.db2.gz LROFVHFUBCCVOB-HNNXBMFYSA-N 2 1 284.444 2.036 20 0 CEADMP CC[C@@]1(O)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000640034745 371758250 /nfs/dbraw/zinc/75/82/50/371758250.db2.gz BVAWRLBAGZSQIO-OAHLLOKOSA-N 2 1 254.418 2.099 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)CCC(C)C ZINC000361304698 371771124 /nfs/dbraw/zinc/77/11/24/371771124.db2.gz KAYCZPOXDJZIDG-HNNXBMFYSA-N 2 1 267.417 2.311 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)CCC(C)C ZINC000361304698 371771129 /nfs/dbraw/zinc/77/11/29/371771129.db2.gz KAYCZPOXDJZIDG-HNNXBMFYSA-N 2 1 267.417 2.311 20 0 CEADMP COCC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CC[C@@H](C)C1 ZINC000261930748 371775326 /nfs/dbraw/zinc/77/53/26/371775326.db2.gz LOHJTMOVWPEXSA-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000261959411 371783729 /nfs/dbraw/zinc/78/37/29/371783729.db2.gz HBNQSEKKDZATBE-KRWDZBQOSA-N 2 1 290.407 2.279 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000261959411 371783738 /nfs/dbraw/zinc/78/37/38/371783738.db2.gz HBNQSEKKDZATBE-KRWDZBQOSA-N 2 1 290.407 2.279 20 0 CEADMP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000261971773 371786377 /nfs/dbraw/zinc/78/63/77/371786377.db2.gz QHQMRUNRPXMJKF-CQSZACIVSA-N 2 1 276.428 2.097 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000261971773 371786383 /nfs/dbraw/zinc/78/63/83/371786383.db2.gz QHQMRUNRPXMJKF-CQSZACIVSA-N 2 1 276.428 2.097 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000640102842 371814669 /nfs/dbraw/zinc/81/46/69/371814669.db2.gz VEFNDJOLCHNBNT-QXSJWSMHSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000640102842 371814673 /nfs/dbraw/zinc/81/46/73/371814673.db2.gz VEFNDJOLCHNBNT-QXSJWSMHSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000640102842 371814679 /nfs/dbraw/zinc/81/46/79/371814679.db2.gz VEFNDJOLCHNBNT-QXSJWSMHSA-N 2 1 266.429 2.096 20 0 CEADMP [NH3+]C1(C[NH2+]CCOc2ccc(F)cc2Cl)CCC1 ZINC000262074356 371818286 /nfs/dbraw/zinc/81/82/86/371818286.db2.gz CVYWRFAKKYCONW-UHFFFAOYSA-N 2 1 272.751 2.329 20 0 CEADMP c1cc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000262092252 371821524 /nfs/dbraw/zinc/82/15/24/371821524.db2.gz UXHSLXNYCRSWBI-HNNXBMFYSA-N 2 1 288.420 2.324 20 0 CEADMP c1cc(-c2n[nH]cc2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000262092252 371821529 /nfs/dbraw/zinc/82/15/29/371821529.db2.gz UXHSLXNYCRSWBI-HNNXBMFYSA-N 2 1 288.420 2.324 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC2)[C@@H](C)C1 ZINC000361398327 371828135 /nfs/dbraw/zinc/82/81/35/371828135.db2.gz SIHGGINULSKTQU-ULQDDVLXSA-N 2 1 298.471 2.140 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000344123081 217061138 /nfs/dbraw/zinc/06/11/38/217061138.db2.gz IIUNLPWMNMWKMZ-UONOGXRCSA-N 2 1 263.385 2.053 20 0 CEADMP CCCCN(CC)C(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361669739 372016590 /nfs/dbraw/zinc/01/65/90/372016590.db2.gz DKUQFVGTLJKXQT-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCN(CC)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361669739 372016597 /nfs/dbraw/zinc/01/65/97/372016597.db2.gz DKUQFVGTLJKXQT-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCN(CC)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361669739 372016604 /nfs/dbraw/zinc/01/66/04/372016604.db2.gz DKUQFVGTLJKXQT-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCN(CC)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000361669739 372016608 /nfs/dbraw/zinc/01/66/08/372016608.db2.gz DKUQFVGTLJKXQT-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCN(CC)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361669739 372016614 /nfs/dbraw/zinc/01/66/14/372016614.db2.gz DKUQFVGTLJKXQT-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CO[C@@H](C[N@@H+](C)CCCC[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000640534284 372024540 /nfs/dbraw/zinc/02/45/40/372024540.db2.gz PDACDAXAYMNNFA-SJORKVTESA-N 2 1 298.471 2.236 20 0 CEADMP CO[C@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000361749624 372052107 /nfs/dbraw/zinc/05/21/07/372052107.db2.gz KWOFXHHJTOULOD-KBPBESRZSA-N 2 1 251.374 2.129 20 0 CEADMP COc1cc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)ccc1C ZINC000361885061 372114595 /nfs/dbraw/zinc/11/45/95/372114595.db2.gz HMAISXKMLOIZTC-ZBFHGGJFSA-N 2 1 276.424 2.476 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1Cn1cccn1 ZINC000361954875 372143029 /nfs/dbraw/zinc/14/30/29/372143029.db2.gz HWKGVFSLQLOKDB-HZPDHXFCSA-N 2 1 276.428 2.222 20 0 CEADMP COc1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)ccn1 ZINC000362104589 372223794 /nfs/dbraw/zinc/22/37/94/372223794.db2.gz YRXPPULLQFPSDM-OAGGEKHMSA-N 2 1 287.407 2.006 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCn2cnc3ccccc32)[C@@H](C)C1 ZINC000268811874 372235580 /nfs/dbraw/zinc/23/55/80/372235580.db2.gz JBENJJNDCNXJIA-LSDHHAIUSA-N 2 1 286.423 2.356 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2cn3ccc(C)cc3n2)[C@@H](C)C1 ZINC000268824455 372241235 /nfs/dbraw/zinc/24/12/35/372241235.db2.gz AWBBCIAZKCSIJL-GOEBONIOSA-N 2 1 286.423 2.463 20 0 CEADMP C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268869741 372264287 /nfs/dbraw/zinc/26/42/87/372264287.db2.gz UWOSPGWLHYORFE-IIAWOOMASA-N 2 1 262.397 2.010 20 0 CEADMP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268869741 372264294 /nfs/dbraw/zinc/26/42/94/372264294.db2.gz UWOSPGWLHYORFE-IIAWOOMASA-N 2 1 262.397 2.010 20 0 CEADMP COCC[N@@H+](CCCn1ccnc1C)Cc1ccco1 ZINC000269133765 372352666 /nfs/dbraw/zinc/35/26/66/372352666.db2.gz OPDTWSLXKHHQAG-UHFFFAOYSA-N 2 1 277.368 2.323 20 0 CEADMP COCC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccco1 ZINC000269133765 372352677 /nfs/dbraw/zinc/35/26/77/372352677.db2.gz OPDTWSLXKHHQAG-UHFFFAOYSA-N 2 1 277.368 2.323 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000641168702 372362717 /nfs/dbraw/zinc/36/27/17/372362717.db2.gz HRYQFDLZNJIIED-HNNXBMFYSA-N 2 1 291.443 2.008 20 0 CEADMP CCC[C@@H]([NH3+])c1cn(C[C@H]2CCCC[N@H+]2C(C)C)nn1 ZINC000641167230 372362995 /nfs/dbraw/zinc/36/29/95/372362995.db2.gz GJSQXARVNCFTHY-ZIAGYGMSSA-N 2 1 279.432 2.341 20 0 CEADMP Cc1ccncc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000269621787 372508148 /nfs/dbraw/zinc/50/81/48/372508148.db2.gz NSXIABZFDGQMSM-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000573315663 299433807 /nfs/dbraw/zinc/43/38/07/299433807.db2.gz OQPCQHJGFHQAPV-NEPJUHHUSA-N 2 1 290.333 2.195 20 0 CEADMP CSc1ccc(C[NH2+]CCCCN2CC[NH+](C)CC2)o1 ZINC000641706841 372642609 /nfs/dbraw/zinc/64/26/09/372642609.db2.gz FKZQLFSTABHCED-UHFFFAOYSA-N 2 1 297.468 2.119 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000641800824 372743223 /nfs/dbraw/zinc/74/32/23/372743223.db2.gz GPHJLCAWYQHIAC-MNOVXSKESA-N 2 1 284.201 2.060 20 0 CEADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c(F)c2)C[C@@H]1[NH3+] ZINC000641801515 372744043 /nfs/dbraw/zinc/74/40/43/372744043.db2.gz ROXAKAWHEHDCOT-NWDGAFQWSA-N 2 1 299.777 2.133 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000641803697 372748430 /nfs/dbraw/zinc/74/84/30/372748430.db2.gz DMXPGQMDUBQRRW-VXGBXAGGSA-N 2 1 299.777 2.133 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccns2)[C@@H]1CCC[NH3+] ZINC000641819086 372765208 /nfs/dbraw/zinc/76/52/08/372765208.db2.gz HQASPTOJFDZWBB-DGCLKSJQSA-N 2 1 253.415 2.483 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cn2)[C@H]2CCC[C@@H]21 ZINC000353409269 220067640 /nfs/dbraw/zinc/06/76/40/220067640.db2.gz WHPWYCDBIBJTPD-ILXRZTDVSA-N 2 1 263.360 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cn2)[C@H]2CCC[C@@H]21 ZINC000353409269 220067641 /nfs/dbraw/zinc/06/76/41/220067641.db2.gz WHPWYCDBIBJTPD-ILXRZTDVSA-N 2 1 263.360 2.183 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H](C)C(C)(C)n1cncn1)[NH+]1CCCC1 ZINC000353410344 220067997 /nfs/dbraw/zinc/06/79/97/220067997.db2.gz HKIXISAOEAIRMI-HUUCEWRRSA-N 2 1 293.459 2.112 20 0 CEADMP COc1ccc(C[N@H+](C)CCn2cc[nH+]c2C)cc1 ZINC000270618123 372869547 /nfs/dbraw/zinc/86/95/47/372869547.db2.gz CUUGWDCDJTXTFI-UHFFFAOYSA-N 2 1 259.353 2.332 20 0 CEADMP COc1ccc(C[N@@H+](C)CCn2cc[nH+]c2C)cc1 ZINC000270618123 372869551 /nfs/dbraw/zinc/86/95/51/372869551.db2.gz CUUGWDCDJTXTFI-UHFFFAOYSA-N 2 1 259.353 2.332 20 0 CEADMP Cc1nccn1CCC[N@@H+](CCCO)Cc1ccccc1 ZINC000270648859 372881575 /nfs/dbraw/zinc/88/15/75/372881575.db2.gz OHOVPVAUFZPODK-UHFFFAOYSA-N 2 1 287.407 2.466 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](CCCO)Cc1ccccc1 ZINC000270648859 372881583 /nfs/dbraw/zinc/88/15/83/372881583.db2.gz OHOVPVAUFZPODK-UHFFFAOYSA-N 2 1 287.407 2.466 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](CCCO)Cc1ccccc1 ZINC000270648859 372881590 /nfs/dbraw/zinc/88/15/90/372881590.db2.gz OHOVPVAUFZPODK-UHFFFAOYSA-N 2 1 287.407 2.466 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000353497332 220118429 /nfs/dbraw/zinc/11/84/29/220118429.db2.gz DDHKJBUZBOOOME-HUUCEWRRSA-N 2 1 283.460 2.275 20 0 CEADMP Cc1ccc2c(C)cc(N3CCO[C@@H](C[NH3+])C3)[nH+]c2c1 ZINC000643027058 372918932 /nfs/dbraw/zinc/91/89/32/372918932.db2.gz ZUIMYNMUCSBFMZ-ZDUSSCGKSA-N 2 1 271.364 2.016 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000353505391 220122542 /nfs/dbraw/zinc/12/25/42/220122542.db2.gz DEEUUFGBSTXAEZ-BZUAXINKSA-N 2 1 295.471 2.001 20 0 CEADMP CC[C@@H](O)C[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000270890542 373000704 /nfs/dbraw/zinc/00/07/04/373000704.db2.gz OZWPYSPKAPBBTN-QGZVFWFLSA-N 2 1 287.407 2.465 20 0 CEADMP CC[C@@H](O)C[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000270890542 373000709 /nfs/dbraw/zinc/00/07/09/373000709.db2.gz OZWPYSPKAPBBTN-QGZVFWFLSA-N 2 1 287.407 2.465 20 0 CEADMP C[C@@H]1Cc2ccccc2[C@@H]1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000366232490 373011845 /nfs/dbraw/zinc/01/18/45/373011845.db2.gz GTHVEMABOASAOF-GRZALLJUSA-N 2 1 286.419 2.373 20 0 CEADMP C[C@@H]1Cc2ccccc2[C@@H]1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000366232490 373011850 /nfs/dbraw/zinc/01/18/50/373011850.db2.gz GTHVEMABOASAOF-GRZALLJUSA-N 2 1 286.419 2.373 20 0 CEADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000366232490 373011855 /nfs/dbraw/zinc/01/18/55/373011855.db2.gz GTHVEMABOASAOF-GRZALLJUSA-N 2 1 286.419 2.373 20 0 CEADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000366232490 373011862 /nfs/dbraw/zinc/01/18/62/373011862.db2.gz GTHVEMABOASAOF-GRZALLJUSA-N 2 1 286.419 2.373 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000366495411 373071400 /nfs/dbraw/zinc/07/14/00/373071400.db2.gz SJWFFMALNOVBRX-INIZCTEOSA-N 2 1 293.455 2.472 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[NH2+]C1CC1 ZINC000643506371 373165906 /nfs/dbraw/zinc/16/59/06/373165906.db2.gz UHJBVXRYAOIOHB-YJBOKZPZSA-N 2 1 287.451 2.239 20 0 CEADMP C(C1CC1)[N@H+]1CC[C@H](N[C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000643462658 373129866 /nfs/dbraw/zinc/12/98/66/373129866.db2.gz ABCFZMPBIFDPFQ-FJIDUMEYSA-N 2 1 291.483 2.371 20 0 CEADMP C(C1CC1)N1CC[C@H]([NH2+][C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000643462658 373129874 /nfs/dbraw/zinc/12/98/74/373129874.db2.gz ABCFZMPBIFDPFQ-FJIDUMEYSA-N 2 1 291.483 2.371 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCC23CCOCC3)CCCO1 ZINC000367092667 373136601 /nfs/dbraw/zinc/13/66/01/373136601.db2.gz GUUDCSLHRMKNGI-JKSUJKDBSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC23CCOCC3)CCCO1 ZINC000367092667 373136612 /nfs/dbraw/zinc/13/66/12/373136612.db2.gz GUUDCSLHRMKNGI-JKSUJKDBSA-N 2 1 296.455 2.036 20 0 CEADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC2(CCO2)CC1 ZINC000367098449 373137771 /nfs/dbraw/zinc/13/77/71/373137771.db2.gz GOSPVDZFBIGRNO-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(CCO2)CC1 ZINC000367098449 373137779 /nfs/dbraw/zinc/13/77/79/373137779.db2.gz GOSPVDZFBIGRNO-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)ncn1 ZINC000643476406 373143901 /nfs/dbraw/zinc/14/39/01/373143901.db2.gz XLQPGNWJMLICTN-OWCLPIDISA-N 2 1 274.412 2.185 20 0 CEADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1OCC ZINC000643526104 373183463 /nfs/dbraw/zinc/18/34/63/373183463.db2.gz PDYXGKHQCQLVBP-VXGBXAGGSA-N 2 1 266.385 2.482 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000643528695 373185092 /nfs/dbraw/zinc/18/50/92/373185092.db2.gz NDCOFFSLKTULMU-QPUJVOFHSA-N 2 1 269.186 2.373 20 0 CEADMP COC(=O)[C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C2 ZINC000367809846 373192242 /nfs/dbraw/zinc/19/22/42/373192242.db2.gz JYPSVORWTBLYFS-ZOBUZTSGSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@]12CCC[C@H]1C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C2 ZINC000367809846 373192250 /nfs/dbraw/zinc/19/22/50/373192250.db2.gz JYPSVORWTBLYFS-ZOBUZTSGSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@]12CCC[C@H]1C[NH+](CC[C@@H]1CCCC[N@H+]1C)C2 ZINC000367809846 373192256 /nfs/dbraw/zinc/19/22/56/373192256.db2.gz JYPSVORWTBLYFS-ZOBUZTSGSA-N 2 1 294.439 2.136 20 0 CEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(-n2ccnn2)c1 ZINC000643543502 373203384 /nfs/dbraw/zinc/20/33/84/373203384.db2.gz PERIZZUQHRERKA-SUMWQHHRSA-N 2 1 299.422 2.435 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000643802549 373270653 /nfs/dbraw/zinc/27/06/53/373270653.db2.gz NSOZSICOSXEPFF-BHYGNILZSA-N 2 1 274.408 2.418 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000643802549 373270665 /nfs/dbraw/zinc/27/06/65/373270665.db2.gz NSOZSICOSXEPFF-BHYGNILZSA-N 2 1 274.408 2.418 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643910793 373301900 /nfs/dbraw/zinc/30/19/00/373301900.db2.gz CAOBBDFHMPUKBP-DJIMGWMZSA-N 2 1 274.408 2.276 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000644524170 373510754 /nfs/dbraw/zinc/51/07/54/373510754.db2.gz XJSKCCHXMCJNBF-BZZMCLGOSA-N 2 1 288.435 2.367 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CC1(C)C ZINC000644565844 373536099 /nfs/dbraw/zinc/53/60/99/373536099.db2.gz HOGYKQFPUZNQAX-CVEARBPZSA-N 2 1 276.424 2.115 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CC1(C)C ZINC000644565844 373536104 /nfs/dbraw/zinc/53/61/04/373536104.db2.gz HOGYKQFPUZNQAX-CVEARBPZSA-N 2 1 276.424 2.115 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)CO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272441378 373485735 /nfs/dbraw/zinc/48/57/35/373485735.db2.gz IORIPCUIQZJEIC-UXLLHSPISA-N 2 1 276.424 2.115 20 0 CEADMP C[C@H]([NH2+]CCn1ccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272554763 373549139 /nfs/dbraw/zinc/54/91/39/373549139.db2.gz SXSBLEUOBBBAMR-WMZOPIPTSA-N 2 1 298.434 2.383 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000644609037 373558113 /nfs/dbraw/zinc/55/81/13/373558113.db2.gz MUVFVMPAMWFEHA-WMLDXEAASA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000644609037 373558118 /nfs/dbraw/zinc/55/81/18/373558118.db2.gz MUVFVMPAMWFEHA-WMLDXEAASA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H]([NH2+]CCC(=O)Nc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000644618563 373563138 /nfs/dbraw/zinc/56/31/38/373563138.db2.gz UOTSGLBCZRTFBS-AWEZNQCLSA-N 2 1 287.407 2.255 20 0 CEADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247177352 220220367 /nfs/dbraw/zinc/22/03/67/220220367.db2.gz UZKWYAQSTOIALB-KBUPBQIOSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)[N@H+]1CCC[C@@H](C)C1 ZINC000247177352 220220372 /nfs/dbraw/zinc/22/03/72/220220372.db2.gz UZKWYAQSTOIALB-KBUPBQIOSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272851488 373680331 /nfs/dbraw/zinc/68/03/31/373680331.db2.gz SOWXVVUNALTZBA-OWLYRPNTSA-N 2 1 288.435 2.400 20 0 CEADMP CCC[N@@H+]1CC[C@H](CNc2cc(CC)[nH+]c(C)n2)C1 ZINC000272905291 373703004 /nfs/dbraw/zinc/70/30/04/373703004.db2.gz QMCZBJPJIHCWQW-CYBMUJFWSA-N 2 1 262.401 2.491 20 0 CEADMP CCC[N@H+]1CC[C@H](CNc2cc(CC)[nH+]c(C)n2)C1 ZINC000272905291 373703012 /nfs/dbraw/zinc/70/30/12/373703012.db2.gz QMCZBJPJIHCWQW-CYBMUJFWSA-N 2 1 262.401 2.491 20 0 CEADMP OCc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000371497475 373902720 /nfs/dbraw/zinc/90/27/20/373902720.db2.gz PRDTXYWTJMHMFS-KURKYZTESA-N 2 1 286.419 2.095 20 0 CEADMP OCc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000371497475 373902725 /nfs/dbraw/zinc/90/27/25/373902725.db2.gz PRDTXYWTJMHMFS-KURKYZTESA-N 2 1 286.419 2.095 20 0 CEADMP OCc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000371497475 373902730 /nfs/dbraw/zinc/90/27/30/373902730.db2.gz PRDTXYWTJMHMFS-KURKYZTESA-N 2 1 286.419 2.095 20 0 CEADMP C[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000274976659 374114085 /nfs/dbraw/zinc/11/40/85/374114085.db2.gz YTHQAHJLZRWMTM-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000274976659 374114089 /nfs/dbraw/zinc/11/40/89/374114089.db2.gz YTHQAHJLZRWMTM-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000274976659 374114092 /nfs/dbraw/zinc/11/40/92/374114092.db2.gz YTHQAHJLZRWMTM-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cnc[nH]2)C1 ZINC000372603483 374165486 /nfs/dbraw/zinc/16/54/86/374165486.db2.gz ZSTXLVYTIKZXGW-MRXNPFEDSA-N 2 1 270.380 2.116 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cnc[nH]2)C1 ZINC000372603483 374165490 /nfs/dbraw/zinc/16/54/90/374165490.db2.gz ZSTXLVYTIKZXGW-MRXNPFEDSA-N 2 1 270.380 2.116 20 0 CEADMP CC[NH+](CC)CCCNc1cccc(-n2cc[nH+]c2C)n1 ZINC000372960575 374231159 /nfs/dbraw/zinc/23/11/59/374231159.db2.gz YQNYBQUUSFTWCT-UHFFFAOYSA-N 2 1 287.411 2.141 20 0 CEADMP COc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c(OC)c1 ZINC000275273370 374203480 /nfs/dbraw/zinc/20/34/80/374203480.db2.gz LWRFHHSQMFXLJJ-BBRMVZONSA-N 2 1 292.423 2.476 20 0 CEADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275760540 374219848 /nfs/dbraw/zinc/21/98/48/374219848.db2.gz STRJSNHBWLWQBK-BHYGNILZSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275760540 374219857 /nfs/dbraw/zinc/21/98/57/374219857.db2.gz STRJSNHBWLWQBK-BHYGNILZSA-N 2 1 276.424 2.400 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)N(C)CC ZINC000276984831 374369350 /nfs/dbraw/zinc/36/93/50/374369350.db2.gz AQOKLOYQLOWOCD-UHFFFAOYSA-N 2 1 294.443 2.026 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)N(C)CC ZINC000276984831 374369357 /nfs/dbraw/zinc/36/93/57/374369357.db2.gz AQOKLOYQLOWOCD-UHFFFAOYSA-N 2 1 294.443 2.026 20 0 CEADMP C[NH+](C)C/C=C/C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000373868144 374436339 /nfs/dbraw/zinc/43/63/39/374436339.db2.gz CTGZTSVAWWCEHN-BPLPYTOXSA-N 2 1 293.455 2.018 20 0 CEADMP Cn1nccc1C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374284873 374531652 /nfs/dbraw/zinc/53/16/52/374531652.db2.gz WJBYQDQKDQQKME-AWEZNQCLSA-N 2 1 288.439 2.116 20 0 CEADMP C(C[NH+]1CCCC1)C[N@H+]1CCCC12CCOCC2 ZINC000374298140 374535687 /nfs/dbraw/zinc/53/56/87/374535687.db2.gz UBCADTJFHFKYHY-UHFFFAOYSA-N 2 1 252.402 2.117 20 0 CEADMP CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000374460452 374577044 /nfs/dbraw/zinc/57/70/44/374577044.db2.gz HJLQKTMTVFVERB-KGLIPLIRSA-N 2 1 292.427 2.297 20 0 CEADMP C[NH2+]CCCC(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000374460799 374577752 /nfs/dbraw/zinc/57/77/52/374577752.db2.gz JTRRXQIKHVIGOR-AWEZNQCLSA-N 2 1 292.427 2.170 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccncc1 ZINC000278401956 374805123 /nfs/dbraw/zinc/80/51/23/374805123.db2.gz DQXDNAKXWLLOSJ-GJZGRUSLSA-N 2 1 277.412 2.233 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccncc1 ZINC000278401956 374805130 /nfs/dbraw/zinc/80/51/30/374805130.db2.gz DQXDNAKXWLLOSJ-GJZGRUSLSA-N 2 1 277.412 2.233 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377269101 374827751 /nfs/dbraw/zinc/82/77/51/374827751.db2.gz WIBIZGQJEVZBON-OAHLLOKOSA-N 2 1 256.434 2.465 20 0 CEADMP c1ccc(C2CC([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)nc1 ZINC000377539429 374877985 /nfs/dbraw/zinc/87/79/85/374877985.db2.gz DJPDKGLZWKATCF-WLYUNCDWSA-N 2 1 271.408 2.402 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCCF)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000377401651 374849779 /nfs/dbraw/zinc/84/97/79/374849779.db2.gz SQLCIJUWXRFYLL-CVEARBPZSA-N 2 1 285.451 2.084 20 0 CEADMP CCOC1CC(C[N@@H+](C)C[C@@H]2CCn3ccnc3C2)C1 ZINC000377652560 374910710 /nfs/dbraw/zinc/91/07/10/374910710.db2.gz NNCULUPFTGOBAD-WLYUNCDWSA-N 2 1 277.412 2.192 20 0 CEADMP CCOC1CC(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000377652560 374910719 /nfs/dbraw/zinc/91/07/19/374910719.db2.gz NNCULUPFTGOBAD-WLYUNCDWSA-N 2 1 277.412 2.192 20 0 CEADMP CCOC1CC(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000377652560 374910726 /nfs/dbraw/zinc/91/07/26/374910726.db2.gz NNCULUPFTGOBAD-WLYUNCDWSA-N 2 1 277.412 2.192 20 0 CEADMP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000378211291 375045355 /nfs/dbraw/zinc/04/53/55/375045355.db2.gz PTNRLNPHMOYTJZ-UONOGXRCSA-N 2 1 292.427 2.026 20 0 CEADMP C[C@@H](CCNC(=O)CCCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000379674396 375156810 /nfs/dbraw/zinc/15/68/10/375156810.db2.gz UHBIIVZCOQPIBT-HNNXBMFYSA-N 2 1 291.439 2.142 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000381614972 375176430 /nfs/dbraw/zinc/17/64/30/375176430.db2.gz XBFGEWGUARJVJT-CHWSQXEVSA-N 2 1 299.459 2.362 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000384203155 375207372 /nfs/dbraw/zinc/20/73/72/375207372.db2.gz BGLSSWOMUFOFNY-GOEBONIOSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2cncc(Br)c2)C1 ZINC000389180310 375298178 /nfs/dbraw/zinc/29/81/78/375298178.db2.gz QEAZGXHOJAOGKY-GFCCVEGCSA-N 2 1 284.201 2.028 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000386475925 375260062 /nfs/dbraw/zinc/26/00/62/375260062.db2.gz RHUBJUGRJJYLEM-WOPDTQHZSA-N 2 1 253.415 2.367 20 0 CEADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000386475924 375260196 /nfs/dbraw/zinc/26/01/96/375260196.db2.gz RHUBJUGRJJYLEM-UTUOFQBUSA-N 2 1 253.415 2.367 20 0 CEADMP C[C@@H](NCC[N@@H+](C)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000386903314 375267216 /nfs/dbraw/zinc/26/72/16/375267216.db2.gz OZGSRHJAFKWGGQ-NVXWUHKLSA-N 2 1 275.440 2.239 20 0 CEADMP C[C@H](C[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1)C(C)(C)C ZINC000399736672 375368127 /nfs/dbraw/zinc/36/81/27/375368127.db2.gz OGUPNZNBINPYQB-SNVBAGLBSA-N 2 1 268.405 2.377 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1)C(C)(C)C ZINC000399736672 375368134 /nfs/dbraw/zinc/36/81/34/375368134.db2.gz OGUPNZNBINPYQB-SNVBAGLBSA-N 2 1 268.405 2.377 20 0 CEADMP OC1(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000411115905 375529328 /nfs/dbraw/zinc/52/93/28/375529328.db2.gz JGEALHQIITWACD-HNNXBMFYSA-N 2 1 266.429 2.242 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C12CCC2 ZINC000414176447 375801014 /nfs/dbraw/zinc/80/10/14/375801014.db2.gz IDUINIQLOVCFRA-ARILJUKYSA-N 2 1 266.429 2.262 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000334980295 296236022 /nfs/dbraw/zinc/23/60/22/296236022.db2.gz MEHJBVMMGJPHNJ-GOEBONIOSA-N 2 1 274.408 2.435 20 0 CEADMP [NH3+]Cc1ccc(-c2noc([C@@H]3CCCc4[nH+]ccn43)n2)cc1 ZINC000414642912 375894364 /nfs/dbraw/zinc/89/43/64/375894364.db2.gz KFPWQDJHFOORAZ-ZDUSSCGKSA-N 2 1 295.346 2.318 20 0 CEADMP CC[NH2+]CC1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000414667229 375907900 /nfs/dbraw/zinc/90/79/00/375907900.db2.gz XVTNNXLXIREDTE-UHFFFAOYSA-N 2 1 296.484 2.026 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772375 375962261 /nfs/dbraw/zinc/96/22/61/375962261.db2.gz UENGCSGIEDQATC-OIISXLGYSA-N 2 1 280.456 2.371 20 0 CEADMP CCCn1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414788588 375971784 /nfs/dbraw/zinc/97/17/84/375971784.db2.gz XEDPUMQEUWWHKI-CVEARBPZSA-N 2 1 276.428 2.115 20 0 CEADMP COC(=O)c1cc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)oc1C ZINC000414682161 375915551 /nfs/dbraw/zinc/91/55/51/375915551.db2.gz QVTIBRVAXASOBI-AAEUAGOBSA-N 2 1 294.395 2.195 20 0 CEADMP CCCCC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(C)C ZINC000414683271 375917291 /nfs/dbraw/zinc/91/72/91/375917291.db2.gz ZUPMJBQTOFQEJC-HNNXBMFYSA-N 2 1 283.460 2.084 20 0 CEADMP CCc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414794707 375978747 /nfs/dbraw/zinc/97/87/47/375978747.db2.gz VTELHIHXUKNQHG-QGZVFWFLSA-N 2 1 288.435 2.436 20 0 CEADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414705688 375932020 /nfs/dbraw/zinc/93/20/20/375932020.db2.gz LUMHCEFJRCHAOD-HZPDHXFCSA-N 2 1 295.471 2.084 20 0 CEADMP Cc1ccc2cc(C[NH2+][C@H](C[NH3+])C3CC3)ccc2n1 ZINC000414806723 375993208 /nfs/dbraw/zinc/99/32/08/375993208.db2.gz NBQSXQLTCRHGIP-MRXNPFEDSA-N 2 1 255.365 2.370 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000414808612 375995118 /nfs/dbraw/zinc/99/51/18/375995118.db2.gz FMJOHCYAYYDUOE-ZDUSSCGKSA-N 2 1 264.369 2.065 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000414816487 376002519 /nfs/dbraw/zinc/00/25/19/376002519.db2.gz XFEPKODIZVHWKC-MLGOLLRUSA-N 2 1 262.397 2.343 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)C[C@@H]1C ZINC000414835770 376008200 /nfs/dbraw/zinc/00/82/00/376008200.db2.gz HTEBHSSKXUHUSB-ZQDZILKHSA-N 2 1 284.444 2.317 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C)C[C@H]1C[NH3+] ZINC000415118651 376021755 /nfs/dbraw/zinc/02/17/55/376021755.db2.gz DUNAUOSAIPZBEF-UKRRQHHQSA-N 2 1 261.413 2.169 20 0 CEADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)cc2cccnc12 ZINC000414801726 375987511 /nfs/dbraw/zinc/98/75/11/375987511.db2.gz MBKBTPSSIKQGSC-HNNXBMFYSA-N 2 1 255.365 2.370 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000419249216 376412681 /nfs/dbraw/zinc/41/26/81/376412681.db2.gz YGPQNJWBLLPFCS-XHSDSOJGSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000419249216 376412687 /nfs/dbraw/zinc/41/26/87/376412687.db2.gz YGPQNJWBLLPFCS-XHSDSOJGSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000419249216 376412695 /nfs/dbraw/zinc/41/26/95/376412695.db2.gz YGPQNJWBLLPFCS-XHSDSOJGSA-N 2 1 268.445 2.464 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000289734433 376469032 /nfs/dbraw/zinc/46/90/32/376469032.db2.gz HVDNDTKAYUCOFM-SJORKVTESA-N 2 1 274.408 2.279 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000289734433 376469039 /nfs/dbraw/zinc/46/90/39/376469039.db2.gz HVDNDTKAYUCOFM-SJORKVTESA-N 2 1 274.408 2.279 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000289734433 376469048 /nfs/dbraw/zinc/46/90/48/376469048.db2.gz HVDNDTKAYUCOFM-SJORKVTESA-N 2 1 274.408 2.279 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000289734433 376469053 /nfs/dbraw/zinc/46/90/53/376469053.db2.gz HVDNDTKAYUCOFM-SJORKVTESA-N 2 1 274.408 2.279 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000305810965 376500519 /nfs/dbraw/zinc/50/05/19/376500519.db2.gz MEPLZWNQOVXXAX-HOTGVXAUSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000305810965 376500527 /nfs/dbraw/zinc/50/05/27/376500527.db2.gz MEPLZWNQOVXXAX-HOTGVXAUSA-N 2 1 279.428 2.455 20 0 CEADMP COCCC1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000419738026 376491115 /nfs/dbraw/zinc/49/11/15/376491115.db2.gz YSNBLKXWMGVPDX-UONOGXRCSA-N 2 1 252.402 2.162 20 0 CEADMP CN(Cc1cccc(Cl)c1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289778867 376495628 /nfs/dbraw/zinc/49/56/28/376495628.db2.gz KVNLHUDHIYHETJ-OAHLLOKOSA-N 2 1 282.815 2.227 20 0 CEADMP C[C@H](c1ccc(F)cc1)N(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289916778 376557392 /nfs/dbraw/zinc/55/73/92/376557392.db2.gz OIFZKHKBWGUVDZ-MLGOLLRUSA-N 2 1 280.387 2.274 20 0 CEADMP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000289916778 376557394 /nfs/dbraw/zinc/55/73/94/376557394.db2.gz OIFZKHKBWGUVDZ-MLGOLLRUSA-N 2 1 280.387 2.274 20 0 CEADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000289916778 376557397 /nfs/dbraw/zinc/55/73/97/376557397.db2.gz OIFZKHKBWGUVDZ-MLGOLLRUSA-N 2 1 280.387 2.274 20 0 CEADMP CCO[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211931717 542084431 /nfs/dbraw/zinc/08/44/31/542084431.db2.gz PLAMSHOJPQIDJU-QGZVFWFLSA-N 2 1 274.408 2.333 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309742904 376602820 /nfs/dbraw/zinc/60/28/20/376602820.db2.gz WPNBFEVLQJCULN-GOEBONIOSA-N 2 1 276.424 2.258 20 0 CEADMP Cn1cncc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309854505 376605623 /nfs/dbraw/zinc/60/56/23/376605623.db2.gz BPTDHTXKTGIMRX-KRWDZBQOSA-N 2 1 298.434 2.422 20 0 CEADMP Cn1cncc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309854505 376605629 /nfs/dbraw/zinc/60/56/29/376605629.db2.gz BPTDHTXKTGIMRX-KRWDZBQOSA-N 2 1 298.434 2.422 20 0 CEADMP CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCOCC1 ZINC000310805608 376637391 /nfs/dbraw/zinc/63/73/91/376637391.db2.gz YIEYWFKJKSHGOH-UHFFFAOYSA-N 2 1 252.402 2.020 20 0 CEADMP CC[N@H+](CCc1cccs1)C[C@H](O)C[NH+](C)C1CC1 ZINC000290119199 376648366 /nfs/dbraw/zinc/64/83/66/376648366.db2.gz YOCHSXSOVLIBJS-CQSZACIVSA-N 2 1 282.453 2.068 20 0 CEADMP CC[N@@H+](CCc1cccs1)C[C@H](O)C[NH+](C)C1CC1 ZINC000290119199 376648374 /nfs/dbraw/zinc/64/83/74/376648374.db2.gz YOCHSXSOVLIBJS-CQSZACIVSA-N 2 1 282.453 2.068 20 0 CEADMP CC[NH+](CCc1cccs1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290119199 376648378 /nfs/dbraw/zinc/64/83/78/376648378.db2.gz YOCHSXSOVLIBJS-CQSZACIVSA-N 2 1 282.453 2.068 20 0 CEADMP CC[NH+](CCc1cccs1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290119199 376648381 /nfs/dbraw/zinc/64/83/81/376648381.db2.gz YOCHSXSOVLIBJS-CQSZACIVSA-N 2 1 282.453 2.068 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420387095 376685657 /nfs/dbraw/zinc/68/56/57/376685657.db2.gz GKBSMMGIHDAWKL-HZPDHXFCSA-N 3 1 267.461 2.182 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420387095 376685660 /nfs/dbraw/zinc/68/56/60/376685660.db2.gz GKBSMMGIHDAWKL-HZPDHXFCSA-N 3 1 267.461 2.182 20 0 CEADMP CCC[NH+]1CCC([N@H+](C)Cc2c[nH]c3nccnc23)CC1 ZINC000290545449 376826190 /nfs/dbraw/zinc/82/61/90/376826190.db2.gz WJUAVQXXKIJAJF-UHFFFAOYSA-N 2 1 287.411 2.264 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)Cc2c[nH]c3nccnc23)CC1 ZINC000290545449 376826201 /nfs/dbraw/zinc/82/62/01/376826201.db2.gz WJUAVQXXKIJAJF-UHFFFAOYSA-N 2 1 287.411 2.264 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000322393784 376827790 /nfs/dbraw/zinc/82/77/90/376827790.db2.gz RGVQXONGDDMABO-IXIBIKRGSA-N 2 1 266.429 2.405 20 0 CEADMP Cc1nc(F)ccc1CN1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000290514671 376814106 /nfs/dbraw/zinc/81/41/06/376814106.db2.gz PRSUVPPBHGHSTM-GJZGRUSLSA-N 2 1 277.387 2.445 20 0 CEADMP CCCCOc1ncccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422974077 376898725 /nfs/dbraw/zinc/89/87/25/376898725.db2.gz QHTGERBVFVJQGD-QWHCGFSZSA-N 2 1 265.401 2.476 20 0 CEADMP CCc1nc(C[N@H+](C)CC[C@H]2CC[NH2+]C2)cs1 ZINC000328305105 376847559 /nfs/dbraw/zinc/84/75/59/376847559.db2.gz DXQOHKTXDHOSDH-LLVKDONJSA-N 2 1 253.415 2.137 20 0 CEADMP CCc1nc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)cs1 ZINC000328305105 376847571 /nfs/dbraw/zinc/84/75/71/376847571.db2.gz DXQOHKTXDHOSDH-LLVKDONJSA-N 2 1 253.415 2.137 20 0 CEADMP CCOCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000328604651 376858748 /nfs/dbraw/zinc/85/87/48/376858748.db2.gz KPPBZZGLCMPOGS-MRXNPFEDSA-N 2 1 277.412 2.062 20 0 CEADMP CCOCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000328604651 376858749 /nfs/dbraw/zinc/85/87/49/376858749.db2.gz KPPBZZGLCMPOGS-MRXNPFEDSA-N 2 1 277.412 2.062 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000422900540 376858994 /nfs/dbraw/zinc/85/89/94/376858994.db2.gz QPWAVHHZTZSAAX-RANZSIQMSA-N 2 1 287.451 2.161 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000562349639 376872012 /nfs/dbraw/zinc/87/20/12/376872012.db2.gz BXMFJGUQQBZFEE-OAHLLOKOSA-N 2 1 297.487 2.486 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000562349639 376872015 /nfs/dbraw/zinc/87/20/15/376872015.db2.gz BXMFJGUQQBZFEE-OAHLLOKOSA-N 2 1 297.487 2.486 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000562349639 376872021 /nfs/dbraw/zinc/87/20/21/376872021.db2.gz BXMFJGUQQBZFEE-OAHLLOKOSA-N 2 1 297.487 2.486 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000562441955 376893678 /nfs/dbraw/zinc/89/36/78/376893678.db2.gz JCQKOFLHUKTMKJ-BBWFWOEESA-N 2 1 290.451 2.485 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000562441955 376893682 /nfs/dbraw/zinc/89/36/82/376893682.db2.gz JCQKOFLHUKTMKJ-BBWFWOEESA-N 2 1 290.451 2.485 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000423081873 376974995 /nfs/dbraw/zinc/97/49/95/376974995.db2.gz VWIJMJQKOBZNMV-GJZGRUSLSA-N 3 1 267.461 2.086 20 0 CEADMP CC(C)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000562525234 376918296 /nfs/dbraw/zinc/91/82/96/376918296.db2.gz SSXXCHWIYAAZMN-OAHLLOKOSA-N 2 1 267.461 2.037 20 0 CEADMP CCOCCC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000423002096 376920286 /nfs/dbraw/zinc/92/02/86/376920286.db2.gz IUOSQEZJZWDUOG-GFCCVEGCSA-N 2 1 263.385 2.352 20 0 CEADMP C[C@H](CCO)C1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCC1 ZINC000423019945 376936963 /nfs/dbraw/zinc/93/69/63/376936963.db2.gz XYPQWSPYNXEQRC-OLZOCXBDSA-N 2 1 277.412 2.334 20 0 CEADMP CC(C)[NH+]1CCC(NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000562580043 376936871 /nfs/dbraw/zinc/93/68/71/376936871.db2.gz OQBWHSDFBBQWPS-QGZVFWFLSA-N 2 1 279.472 2.466 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCCCN2C2CC2)CC1 ZINC000562580043 376936878 /nfs/dbraw/zinc/93/68/78/376936878.db2.gz OQBWHSDFBBQWPS-QGZVFWFLSA-N 2 1 279.472 2.466 20 0 CEADMP OCC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000423057445 376952350 /nfs/dbraw/zinc/95/23/50/376952350.db2.gz ZSCRMZDUTMACNF-XQLPTFJDSA-N 2 1 278.396 2.213 20 0 CEADMP COc1cccc(Cl)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423071193 376964024 /nfs/dbraw/zinc/96/40/24/376964024.db2.gz OFBKMQHQWSCBKC-MPKXVKKWSA-N 2 1 298.814 2.191 20 0 CEADMP CSC1(C[NH2+][C@@H]2CCCCC[C@@H]2N)CC[NH+](C)CC1 ZINC000423120498 377014725 /nfs/dbraw/zinc/01/47/25/377014725.db2.gz GWTKBMAKFJIZLZ-UONOGXRCSA-N 2 1 285.501 2.063 20 0 CEADMP COC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(Cl)c1 ZINC000423122731 377020488 /nfs/dbraw/zinc/02/04/88/377020488.db2.gz LEAWAUWKRIKRGJ-YGRLFVJLSA-N 2 1 268.788 2.225 20 0 CEADMP C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1c[nH+]ccc1N ZINC000423097380 376990826 /nfs/dbraw/zinc/99/08/26/376990826.db2.gz AQLAIGQVAQBBGF-NSHDSACASA-N 2 1 281.363 2.264 20 0 CEADMP CC[C@@H]([NH2+]CC1(C(F)(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000423100805 376993932 /nfs/dbraw/zinc/99/39/32/376993932.db2.gz BYIHJDCDTACGSB-ZJUUUORDSA-N 2 1 250.308 2.449 20 0 CEADMP C[C@H]([NH2+]C[C@@](C)(CO)c1ccccc1)c1c[nH+]ccc1N ZINC000423116085 377010601 /nfs/dbraw/zinc/01/06/01/377010601.db2.gz ZLCFGRHNHHIADQ-GUYCJALGSA-N 2 1 285.391 2.095 20 0 CEADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccnc1 ZINC000423192748 377108339 /nfs/dbraw/zinc/10/83/39/377108339.db2.gz WCILRJHBHGXIKG-AWEZNQCLSA-N 2 1 270.380 2.307 20 0 CEADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1OC ZINC000423197364 377112854 /nfs/dbraw/zinc/11/28/54/377112854.db2.gz ZCLNEHSAHNNRJZ-DZGCQCFKSA-N 2 1 292.423 2.285 20 0 CEADMP Cc1csc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423156103 377059375 /nfs/dbraw/zinc/05/93/75/377059375.db2.gz RSPFYJDZTZDGSM-KFWWJZLASA-N 2 1 280.437 2.303 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423160209 377065612 /nfs/dbraw/zinc/06/56/12/377065612.db2.gz ZFTPPKJTNCKUCS-CHWSQXEVSA-N 2 1 272.751 2.327 20 0 CEADMP CSCC1CCC([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423163856 377067495 /nfs/dbraw/zinc/06/74/95/377067495.db2.gz VWLWNKNPOGKZSG-ABXWRUBCSA-N 2 1 256.459 2.496 20 0 CEADMP COc1ncc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1Cl ZINC000423163874 377067533 /nfs/dbraw/zinc/06/75/33/377067533.db2.gz VWUOYZZKHPBCJW-QWHCGFSZSA-N 2 1 283.803 2.493 20 0 CEADMP c1[nH+]cn2cc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc12 ZINC000423170721 377077972 /nfs/dbraw/zinc/07/79/72/377077972.db2.gz MURBOHZJWBFCEY-IXDOHACOSA-N 2 1 284.407 2.345 20 0 CEADMP C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1c[nH+]ccc1N ZINC000423174038 377081336 /nfs/dbraw/zinc/08/13/36/377081336.db2.gz BAYBYMRSKXGJAQ-DGCLKSJQSA-N 2 1 289.354 2.060 20 0 CEADMP C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1c[nH+]ccc1N ZINC000423174037 377082878 /nfs/dbraw/zinc/08/28/78/377082878.db2.gz BAYBYMRSKXGJAQ-AAEUAGOBSA-N 2 1 289.354 2.060 20 0 CEADMP C[N@H+]1CC[C@H](NCC2([NH3+])CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000423175335 377084636 /nfs/dbraw/zinc/08/46/36/377084636.db2.gz DRVPVISEIMZTQA-KKUMJFAQSA-N 2 1 265.445 2.110 20 0 CEADMP CC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cnn(C)c1 ZINC000423177804 377086668 /nfs/dbraw/zinc/08/66/68/377086668.db2.gz JNTGDKSVXJWTRC-CYBMUJFWSA-N 2 1 250.390 2.122 20 0 CEADMP COc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000423207454 377124536 /nfs/dbraw/zinc/12/45/36/377124536.db2.gz HDECICIINHBMNA-MNOVXSKESA-N 2 1 283.803 2.394 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1(CC)CC ZINC000423179410 377091887 /nfs/dbraw/zinc/09/18/87/377091887.db2.gz DBYVGXKXIAPQKC-MGPQQGTHSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnccn2)C1 ZINC000563094264 377092281 /nfs/dbraw/zinc/09/22/81/377092281.db2.gz VYSZFVPHUKPIAU-AWEZNQCLSA-N 2 1 262.401 2.078 20 0 CEADMP [NH3+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423192166 377104953 /nfs/dbraw/zinc/10/49/53/377104953.db2.gz PRVJFEOLWSEMDZ-KSZLIROESA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423192166 377104963 /nfs/dbraw/zinc/10/49/63/377104963.db2.gz PRVJFEOLWSEMDZ-KSZLIROESA-N 3 1 287.451 2.368 20 0 CEADMP [NH3+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423192166 377104969 /nfs/dbraw/zinc/10/49/69/377104969.db2.gz PRVJFEOLWSEMDZ-KSZLIROESA-N 3 1 287.451 2.368 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@](C)(O)C[NH2+]C)CC[C@H]1c1ccccc1 ZINC000563269688 377150516 /nfs/dbraw/zinc/15/05/16/377150516.db2.gz NVWBBXRSJWUGLE-KBAYOESNSA-N 2 1 290.451 2.473 20 0 CEADMP CC[NH2+]CC[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000423234576 377152436 /nfs/dbraw/zinc/15/24/36/377152436.db2.gz LZJBDPOSKWYJAZ-GFCCVEGCSA-N 2 1 280.412 2.142 20 0 CEADMP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1OC ZINC000423239071 377158230 /nfs/dbraw/zinc/15/82/30/377158230.db2.gz RSYJMQVMOKGSDB-UKRRQHHQSA-N 2 1 292.423 2.285 20 0 CEADMP CC[NH2+]CC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000423249220 377167392 /nfs/dbraw/zinc/16/73/92/377167392.db2.gz RYYWRNGNDINGRH-CHWSQXEVSA-N 2 1 280.412 2.395 20 0 CEADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1OC ZINC000423267654 377187652 /nfs/dbraw/zinc/18/76/52/377187652.db2.gz CZWNWYNTURWDCS-ZWNOBZJWSA-N 2 1 264.369 2.092 20 0 CEADMP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423280703 377207706 /nfs/dbraw/zinc/20/77/06/377207706.db2.gz UJNNPYIPGJPQLG-XJKSGUPXSA-N 2 1 280.412 2.346 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000423284374 377211556 /nfs/dbraw/zinc/21/15/56/377211556.db2.gz YFTIVFQNRUKGBU-QWRGUYRKSA-N 2 1 254.349 2.340 20 0 CEADMP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000423286836 377216579 /nfs/dbraw/zinc/21/65/79/377216579.db2.gz JBSCCQGDLBKGGB-GFCCVEGCSA-N 2 1 266.385 2.482 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H](NCC([NH3+])(CC)CC)[C@H](C)C1 ZINC000423287289 377217761 /nfs/dbraw/zinc/21/77/61/377217761.db2.gz LGMLQAQCYFNNDA-HZPDHXFCSA-N 2 1 299.503 2.231 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c(C)n1 ZINC000423336405 377267911 /nfs/dbraw/zinc/26/79/11/377267911.db2.gz SOTFQNLFXPBERT-IAQYHMDHSA-N 2 1 262.401 2.134 20 0 CEADMP COC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1cccc(Cl)c1F ZINC000423307892 377236412 /nfs/dbraw/zinc/23/64/12/377236412.db2.gz NWDZGWIAHFJJSS-CABZTGNLSA-N 2 1 274.767 2.351 20 0 CEADMP CCC[NH2+]CC[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000423317802 377247397 /nfs/dbraw/zinc/24/73/97/377247397.db2.gz YURGTJHIDRUYBX-KBPBESRZSA-N 2 1 254.418 2.313 20 0 CEADMP CC(C)[C@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@H](C)[NH3+] ZINC000423318118 377248219 /nfs/dbraw/zinc/24/82/19/377248219.db2.gz CCCFJOGOMHCZBR-JYJNAYRXSA-N 2 1 297.487 2.377 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000423276393 377200171 /nfs/dbraw/zinc/20/01/71/377200171.db2.gz OJKSJWIJCWPNIT-OCCSQVGLSA-N 2 1 264.417 2.476 20 0 CEADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2c(c1)OCCO2 ZINC000423277826 377202967 /nfs/dbraw/zinc/20/29/67/377202967.db2.gz OZSUICQZAHUTAZ-KBPBESRZSA-N 2 1 276.380 2.236 20 0 CEADMP Cc1ccncc1CCC[N@H+]1CCc2nc(C)ncc2C1 ZINC000563778154 377289374 /nfs/dbraw/zinc/28/93/74/377289374.db2.gz PACZQOWYBILOAM-UHFFFAOYSA-N 2 1 282.391 2.479 20 0 CEADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@@H]1CCCC[C@H]1O ZINC000564733009 377442720 /nfs/dbraw/zinc/44/27/20/377442720.db2.gz KJGRUWYJMBYJGN-JKSUJKDBSA-N 2 1 268.445 2.379 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564973586 377518019 /nfs/dbraw/zinc/51/80/19/377518019.db2.gz UDVHPQJRJKYXLO-KRWDZBQOSA-N 2 1 282.391 2.314 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564973586 377518022 /nfs/dbraw/zinc/51/80/22/377518022.db2.gz UDVHPQJRJKYXLO-KRWDZBQOSA-N 2 1 282.391 2.314 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCOc2ccc(OC)cc2)C1 ZINC000430643637 377532731 /nfs/dbraw/zinc/53/27/31/377532731.db2.gz XRAUSNJDYXLERL-HNNXBMFYSA-N 2 1 292.423 2.396 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000565098470 377557170 /nfs/dbraw/zinc/55/71/70/377557170.db2.gz KEXNPAODHIPVEF-GOEBONIOSA-N 2 1 294.464 2.071 20 0 CEADMP Cn1c[nH+]cc1CCCN1CCO[C@H](c2ccsc2)C1 ZINC000565158572 377576554 /nfs/dbraw/zinc/57/65/54/377576554.db2.gz SZXICBMYMGKZLA-HNNXBMFYSA-N 2 1 291.420 2.488 20 0 CEADMP Cc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc(C)[nH+]1 ZINC000265501435 190186370 /nfs/dbraw/zinc/18/63/70/190186370.db2.gz NAKMTGWNGORXMB-CQSZACIVSA-N 2 1 290.411 2.006 20 0 CEADMP C[C@@H](CC(=O)Nc1cc[nH+]c(N(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000431006670 377584667 /nfs/dbraw/zinc/58/46/67/377584667.db2.gz ZLLVKHGSIOPOEH-QWHCGFSZSA-N 2 1 290.411 2.112 20 0 CEADMP CCC[C@H]1CCC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431064540 377594042 /nfs/dbraw/zinc/59/40/42/377594042.db2.gz FBCDPCUUUSQTHH-NSHDSACASA-N 2 1 266.389 2.276 20 0 CEADMP CCC[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431064540 377594046 /nfs/dbraw/zinc/59/40/46/377594046.db2.gz FBCDPCUUUSQTHH-NSHDSACASA-N 2 1 266.389 2.276 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCOCC2CCCC2)CC[N@H+]1C ZINC000313252965 249391845 /nfs/dbraw/zinc/39/18/45/249391845.db2.gz MFYQVYZAHUBAPM-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000293691544 377702081 /nfs/dbraw/zinc/70/20/81/377702081.db2.gz SIQOPXPGABZXFB-ZDUSSCGKSA-N 2 1 260.381 2.175 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H]2CC=CCC2)CCCO1 ZINC000432370839 377754730 /nfs/dbraw/zinc/75/47/30/377754730.db2.gz WBWZXRGFIAKMEV-HOTGVXAUSA-N 2 1 266.429 2.433 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CC(C)(C)OC2(C)C)CCCO1 ZINC000432425599 377760824 /nfs/dbraw/zinc/76/08/24/377760824.db2.gz VVZWFBVPFQGTLT-GJZGRUSLSA-N 2 1 298.471 2.423 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)CCCO1 ZINC000432425600 377761018 /nfs/dbraw/zinc/76/10/18/377761018.db2.gz VVZWFBVPFQGTLT-HUUCEWRRSA-N 2 1 298.471 2.423 20 0 CEADMP C[C@@H](CC1CC1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432431473 377762535 /nfs/dbraw/zinc/76/25/35/377762535.db2.gz WEPBOAYSVVHXJB-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](CC1CC1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432431473 377762538 /nfs/dbraw/zinc/76/25/38/377762538.db2.gz WEPBOAYSVVHXJB-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cnc2n1CCCC2 ZINC000566779393 377771467 /nfs/dbraw/zinc/77/14/67/377771467.db2.gz GZSOFQLFLLABRR-ZDUSSCGKSA-N 2 1 290.411 2.422 20 0 CEADMP Cc1ccn2c(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cnc2c1 ZINC000442929478 378019008 /nfs/dbraw/zinc/01/90/08/378019008.db2.gz RFNGHKVPGYVXIE-AWEZNQCLSA-N 2 1 272.396 2.204 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000442919375 378018265 /nfs/dbraw/zinc/01/82/65/378018265.db2.gz IVPAWHBNQMRUGF-CYBMUJFWSA-N 2 1 263.385 2.041 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1)C(C)C ZINC000443070927 378035147 /nfs/dbraw/zinc/03/51/47/378035147.db2.gz LWUWYLGTLOICTK-LSDHHAIUSA-N 2 1 283.460 2.081 20 0 CEADMP C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443072602 378035485 /nfs/dbraw/zinc/03/54/85/378035485.db2.gz OGNZBKJQGLRRPL-WDEREUQCSA-N 2 1 264.373 2.069 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000447594546 378122287 /nfs/dbraw/zinc/12/22/87/378122287.db2.gz ZQZHKINFEMZEAF-TXCZRRACSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000447594546 378122292 /nfs/dbraw/zinc/12/22/92/378122292.db2.gz ZQZHKINFEMZEAF-TXCZRRACSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000447594546 378122297 /nfs/dbraw/zinc/12/22/97/378122297.db2.gz ZQZHKINFEMZEAF-TXCZRRACSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000447594546 378122302 /nfs/dbraw/zinc/12/23/02/378122302.db2.gz ZQZHKINFEMZEAF-TXCZRRACSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000447594546 378122309 /nfs/dbraw/zinc/12/23/09/378122309.db2.gz ZQZHKINFEMZEAF-TXCZRRACSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000449322691 378201341 /nfs/dbraw/zinc/20/13/41/378201341.db2.gz YTHGHJOCOJIAHO-WCVJEAGWSA-N 2 1 295.471 2.273 20 0 CEADMP CCC(=O)CCC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000450448201 378422950 /nfs/dbraw/zinc/42/29/50/378422950.db2.gz BAEFLMWNSFUBCD-AWEZNQCLSA-N 2 1 254.418 2.409 20 0 CEADMP CCC(=O)CCC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000450448201 378422954 /nfs/dbraw/zinc/42/29/54/378422954.db2.gz BAEFLMWNSFUBCD-AWEZNQCLSA-N 2 1 254.418 2.409 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)Cc2ccccc2)C[C@H]1C ZINC000450471639 378436246 /nfs/dbraw/zinc/43/62/46/378436246.db2.gz WLPUIMGKVVDIOY-KBAYOESNSA-N 2 1 290.451 2.395 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)Cc2ccccc2)C[C@H]1C ZINC000450471639 378436251 /nfs/dbraw/zinc/43/62/51/378436251.db2.gz WLPUIMGKVVDIOY-KBAYOESNSA-N 2 1 290.451 2.395 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)Cc2ccccc2)C[C@H]1C ZINC000450471639 378436257 /nfs/dbraw/zinc/43/62/57/378436257.db2.gz WLPUIMGKVVDIOY-KBAYOESNSA-N 2 1 290.451 2.395 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450474705 378437358 /nfs/dbraw/zinc/43/73/58/378437358.db2.gz RPJQZQXPMLJREJ-XYJFISCASA-N 2 1 290.451 2.425 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450474705 378437366 /nfs/dbraw/zinc/43/73/66/378437366.db2.gz RPJQZQXPMLJREJ-XYJFISCASA-N 2 1 290.451 2.425 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450474705 378437373 /nfs/dbraw/zinc/43/73/73/378437373.db2.gz RPJQZQXPMLJREJ-XYJFISCASA-N 2 1 290.451 2.425 20 0 CEADMP CC[C@@H](C)[N@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000451032721 378682210 /nfs/dbraw/zinc/68/22/10/378682210.db2.gz ZJUNDDKMZLUYHU-CHWSQXEVSA-N 2 1 263.385 2.399 20 0 CEADMP CC(C)[C@H]1[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC12CCCC2 ZINC000453035413 378781388 /nfs/dbraw/zinc/78/13/88/378781388.db2.gz JYYOYULMJBUNAG-HZPDHXFCSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@H]1[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC12CCCC2 ZINC000453035413 378781395 /nfs/dbraw/zinc/78/13/95/378781395.db2.gz JYYOYULMJBUNAG-HZPDHXFCSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@H]1[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC12CCCC2 ZINC000453035413 378781402 /nfs/dbraw/zinc/78/14/02/378781402.db2.gz JYYOYULMJBUNAG-HZPDHXFCSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@H]1[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC12CCCC2 ZINC000453035413 378781407 /nfs/dbraw/zinc/78/14/07/378781407.db2.gz JYYOYULMJBUNAG-HZPDHXFCSA-N 2 1 280.456 2.342 20 0 CEADMP OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453074423 378794815 /nfs/dbraw/zinc/79/48/15/378794815.db2.gz GJJACNTXFCQHFC-BBWFWOEESA-N 2 1 274.408 2.012 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cnc21 ZINC000346832620 218027600 /nfs/dbraw/zinc/02/76/00/218027600.db2.gz RFDYBDDSVJBNAQ-NUEKZKHPSA-N 2 1 299.422 2.181 20 0 CEADMP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)CCOCC1 ZINC000453178781 378824451 /nfs/dbraw/zinc/82/44/51/378824451.db2.gz SRPQUQLOARIISD-HZPDHXFCSA-N 2 1 298.471 2.281 20 0 CEADMP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC(C)C)CCOCC1 ZINC000453178781 378824457 /nfs/dbraw/zinc/82/44/57/378824457.db2.gz SRPQUQLOARIISD-HZPDHXFCSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(C)(C)[NH3+])C1 ZINC000346850277 218036052 /nfs/dbraw/zinc/03/60/52/218036052.db2.gz PWVDGMWCBPFJPG-CABCVRRESA-N 2 1 267.461 2.310 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346851357 218036194 /nfs/dbraw/zinc/03/61/94/218036194.db2.gz JGCGPYBYFAIIKZ-GZBFAFLISA-N 2 1 290.455 2.104 20 0 CEADMP Cc1ccn2c(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cnc2c1 ZINC000346850119 218036329 /nfs/dbraw/zinc/03/63/29/218036329.db2.gz PJZCDFWHBPMGLQ-IMJJTQAJSA-N 2 1 284.407 2.202 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)cn2)[C@H](C)C1 ZINC000453419845 378898490 /nfs/dbraw/zinc/89/84/90/378898490.db2.gz JUEBMLCTPRLWNV-ZBFHGGJFSA-N 2 1 261.413 2.252 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453429190 378902819 /nfs/dbraw/zinc/90/28/19/378902819.db2.gz PQFLWCJCJYZPLM-UHFFFAOYSA-N 3 1 267.461 2.323 20 0 CEADMP CC(C)N1CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000453429190 378902825 /nfs/dbraw/zinc/90/28/25/378902825.db2.gz PQFLWCJCJYZPLM-UHFFFAOYSA-N 2 1 267.461 2.323 20 0 CEADMP CC(C)N1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453429190 378902830 /nfs/dbraw/zinc/90/28/30/378902830.db2.gz PQFLWCJCJYZPLM-UHFFFAOYSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453381476 378880185 /nfs/dbraw/zinc/88/01/85/378880185.db2.gz LFKUJRBLLBRBSI-ZIAGYGMSSA-N 2 1 268.445 2.248 20 0 CEADMP COc1cc(C)nc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453594382 378916468 /nfs/dbraw/zinc/91/64/68/378916468.db2.gz IJSWSOHNXNZMTG-UHFFFAOYSA-N 2 1 277.412 2.363 20 0 CEADMP c1ccc(CC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000347000311 218087329 /nfs/dbraw/zinc/08/73/29/218087329.db2.gz GCWPPRVVYCLWLM-SFHVURJKSA-N 2 1 288.435 2.320 20 0 CEADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC000347031239 218098500 /nfs/dbraw/zinc/09/85/00/218098500.db2.gz KCGIJTAQEPMTPH-HNNXBMFYSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC000347031239 218098502 /nfs/dbraw/zinc/09/85/02/218098502.db2.gz KCGIJTAQEPMTPH-HNNXBMFYSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC000347031239 218098503 /nfs/dbraw/zinc/09/85/03/218098503.db2.gz KCGIJTAQEPMTPH-HNNXBMFYSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC000347031239 218098505 /nfs/dbraw/zinc/09/85/05/218098505.db2.gz KCGIJTAQEPMTPH-HNNXBMFYSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000347038783 218099846 /nfs/dbraw/zinc/09/98/46/218099846.db2.gz ITPXNUAHMYSIOD-YJBOKZPZSA-N 2 1 298.434 2.491 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000347038783 218099849 /nfs/dbraw/zinc/09/98/49/218099849.db2.gz ITPXNUAHMYSIOD-YJBOKZPZSA-N 2 1 298.434 2.491 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccccc1N(C)C ZINC000347053544 218106412 /nfs/dbraw/zinc/10/64/12/218106412.db2.gz SMNLHRGZNHQXFO-UKRRQHHQSA-N 2 1 261.413 2.454 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccccc1N(C)C ZINC000347053544 218106413 /nfs/dbraw/zinc/10/64/13/218106413.db2.gz SMNLHRGZNHQXFO-UKRRQHHQSA-N 2 1 261.413 2.454 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347058630 218107534 /nfs/dbraw/zinc/10/75/34/218107534.db2.gz WTQWSGJBISUHCG-ZDUSSCGKSA-N 2 1 288.370 2.182 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347058630 218107537 /nfs/dbraw/zinc/10/75/37/218107537.db2.gz WTQWSGJBISUHCG-ZDUSSCGKSA-N 2 1 288.370 2.182 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000347055890 218108204 /nfs/dbraw/zinc/10/82/04/218108204.db2.gz UTAPDTOLADDTHD-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000347055890 218108207 /nfs/dbraw/zinc/10/82/07/218108207.db2.gz UTAPDTOLADDTHD-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP CC[C@H]1C[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000347089679 218116649 /nfs/dbraw/zinc/11/66/49/218116649.db2.gz FKHNXVFDDXLHFU-JDOFQRQTSA-N 2 1 266.429 2.406 20 0 CEADMP CCC1(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)CCOCC1 ZINC000347136184 218134860 /nfs/dbraw/zinc/13/48/60/218134860.db2.gz UBPQHQGIBCOSLY-ZIAGYGMSSA-N 2 1 254.418 2.252 20 0 CEADMP CCc1ncc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000347151251 218138863 /nfs/dbraw/zinc/13/88/63/218138863.db2.gz ZSNZDJPPLZLFAS-MNOVXSKESA-N 2 1 253.415 2.265 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000347151251 218138865 /nfs/dbraw/zinc/13/88/65/218138865.db2.gz ZSNZDJPPLZLFAS-MNOVXSKESA-N 2 1 253.415 2.265 20 0 CEADMP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408681 379166286 /nfs/dbraw/zinc/16/62/86/379166286.db2.gz HWACCVUWQMPCSI-ILXRZTDVSA-N 2 1 254.418 2.002 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000515257445 379197339 /nfs/dbraw/zinc/19/73/39/379197339.db2.gz QAYVMZCWQHJGGA-LZWOXQAQSA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000515257445 379197345 /nfs/dbraw/zinc/19/73/45/379197345.db2.gz QAYVMZCWQHJGGA-LZWOXQAQSA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000515257445 379197352 /nfs/dbraw/zinc/19/73/52/379197352.db2.gz QAYVMZCWQHJGGA-LZWOXQAQSA-N 2 1 267.461 2.179 20 0 CEADMP Cc1cncc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000278879183 194194753 /nfs/dbraw/zinc/19/47/53/194194753.db2.gz CLBSJUYLCWBETF-ZIAGYGMSSA-N 2 1 270.380 2.500 20 0 CEADMP CC[NH2+]Cc1ccccc1NC(=O)N(C)Cc1cnc[nH]1 ZINC000516091101 379257194 /nfs/dbraw/zinc/25/71/94/379257194.db2.gz FDYBBPSRQGACHW-UHFFFAOYSA-N 2 1 287.367 2.183 20 0 CEADMP C[C@@H](CNc1cc[nH+]cc1C(N)=O)[N@@H+](C)Cc1ccccc1 ZINC000302220734 379334399 /nfs/dbraw/zinc/33/43/99/379334399.db2.gz MEKRRQXCIGHMAR-ZDUSSCGKSA-N 2 1 298.390 2.113 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCCC1CCOCC1 ZINC000302237196 379342098 /nfs/dbraw/zinc/34/20/98/379342098.db2.gz AWCSUVYQOIQMAJ-HIFRSBDPSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)[N@@H+]1CCCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347657576 218310091 /nfs/dbraw/zinc/31/00/91/218310091.db2.gz UYKHLHFYQSKRKE-UHFFFAOYSA-N 2 1 296.484 2.121 20 0 CEADMP CC(C)[N@H+]1CCCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347657576 218310094 /nfs/dbraw/zinc/31/00/94/218310094.db2.gz UYKHLHFYQSKRKE-UHFFFAOYSA-N 2 1 296.484 2.121 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305282255 379701350 /nfs/dbraw/zinc/70/13/50/379701350.db2.gz CEWVOWYGVJKWKE-JYJNAYRXSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](CCO)c1ccccc1 ZINC000305158684 379666946 /nfs/dbraw/zinc/66/69/46/379666946.db2.gz WNGUCQSDIKTKLX-HYVNUMGLSA-N 2 1 276.424 2.082 20 0 CEADMP C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000267336651 190321609 /nfs/dbraw/zinc/32/16/09/190321609.db2.gz BHTKNUMTCSXDSB-UKRRQHHQSA-N 2 1 286.379 2.003 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000528435203 379970924 /nfs/dbraw/zinc/97/09/24/379970924.db2.gz ZNKMBWVKTGQOHQ-WBVHZDCISA-N 2 1 293.499 2.380 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458225831 380050440 /nfs/dbraw/zinc/05/04/40/380050440.db2.gz SFPQHSVIDGJMQD-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP Cc1cccc2ncc(CN3CC[N@@H+](C)[C@@H](C(C)C)C3)n21 ZINC000488543544 380111404 /nfs/dbraw/zinc/11/14/04/380111404.db2.gz LRZXEDDSHJITDL-MRXNPFEDSA-N 2 1 286.423 2.415 20 0 CEADMP CC[N@@H+](CCNc1cc[nH+]c(C)c1)CCC(F)(F)F ZINC000491542233 380330068 /nfs/dbraw/zinc/33/00/68/380330068.db2.gz BXEQPXGGHYMYME-UHFFFAOYSA-N 2 1 275.318 2.498 20 0 CEADMP CC(C)[N@@H+](C)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000548391879 380509416 /nfs/dbraw/zinc/50/94/16/380509416.db2.gz CRMAFRYMOAMBTR-UHFFFAOYSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[NH+](C)CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548391879 380509419 /nfs/dbraw/zinc/50/94/19/380509419.db2.gz CRMAFRYMOAMBTR-UHFFFAOYSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[NH+](C)CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548391879 380509424 /nfs/dbraw/zinc/50/94/24/380509424.db2.gz CRMAFRYMOAMBTR-UHFFFAOYSA-N 2 1 283.460 2.097 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492134409 380460001 /nfs/dbraw/zinc/46/00/01/380460001.db2.gz ORGUIXBBTDGNKJ-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492134409 380460013 /nfs/dbraw/zinc/46/00/13/380460013.db2.gz ORGUIXBBTDGNKJ-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492134409 380460019 /nfs/dbraw/zinc/46/00/19/380460019.db2.gz ORGUIXBBTDGNKJ-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492134409 380460026 /nfs/dbraw/zinc/46/00/26/380460026.db2.gz ORGUIXBBTDGNKJ-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP CC[N@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC000547733831 380461860 /nfs/dbraw/zinc/46/18/60/380461860.db2.gz UEJICOZJTINXCB-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551086995 380636564 /nfs/dbraw/zinc/63/65/64/380636564.db2.gz JOEFKXJEZHBIMS-FVQBIDKESA-N 2 1 262.397 2.182 20 0 CEADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551086995 380636570 /nfs/dbraw/zinc/63/65/70/380636570.db2.gz JOEFKXJEZHBIMS-FVQBIDKESA-N 2 1 262.397 2.182 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000580564301 322327101 /nfs/dbraw/zinc/32/71/01/322327101.db2.gz RPOJIRXTIQRZRG-ZDUSSCGKSA-N 2 1 251.399 2.191 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000334822150 207138458 /nfs/dbraw/zinc/13/84/58/207138458.db2.gz USNRUTWCTMHBAQ-OCCSQVGLSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289351957 197308033 /nfs/dbraw/zinc/30/80/33/197308033.db2.gz LEADHTSVAPBKJO-CZUORRHYSA-N 2 1 262.397 2.101 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000289351957 197308034 /nfs/dbraw/zinc/30/80/34/197308034.db2.gz LEADHTSVAPBKJO-CZUORRHYSA-N 2 1 262.397 2.101 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC(F)(F)C2)CC1 ZINC000358295964 285012962 /nfs/dbraw/zinc/01/29/62/285012962.db2.gz KCZKSUFVVNGHCA-CYBMUJFWSA-N 2 1 276.371 2.265 20 0 CEADMP Cn1c(C[NH2+][C@@H]2CCC[NH2+]CC2)nc2cc(Cl)ccc21 ZINC000335253126 208033576 /nfs/dbraw/zinc/03/35/76/208033576.db2.gz WICGKYRJYBLGSW-GFCCVEGCSA-N 2 1 292.814 2.458 20 0 CEADMP NC(=O)c1csc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000335270270 208069387 /nfs/dbraw/zinc/06/93/87/208069387.db2.gz UNJUVNBYZGVJSS-PHIMTYICSA-N 2 1 279.409 2.063 20 0 CEADMP COC1([C@H](C)[NH2+]CCCn2cc[nH+]c2C)CCC1 ZINC000412025652 533028095 /nfs/dbraw/zinc/02/80/95/533028095.db2.gz QJNGGTLNKUNCMV-LBPRGKRZSA-N 2 1 251.374 2.129 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000289350925 197307163 /nfs/dbraw/zinc/30/71/63/197307163.db2.gz HFVXARXRTZJSEF-IRXDYDNUSA-N 2 1 284.407 2.227 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@@H](C)c1ccccc1 ZINC000289304096 197290076 /nfs/dbraw/zinc/29/00/76/197290076.db2.gz BWGFBECOYCETSF-KEYYUXOJSA-N 2 1 276.424 2.223 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](C)c1ccccc1 ZINC000289304096 197290078 /nfs/dbraw/zinc/29/00/78/197290078.db2.gz BWGFBECOYCETSF-KEYYUXOJSA-N 2 1 276.424 2.223 20 0 CEADMP Cc1ccsc1[C@H](CO)[NH2+]CCCc1c[nH+]cn1C ZINC000575811849 299571974 /nfs/dbraw/zinc/57/19/74/299571974.db2.gz FBIAJQDTAPXLJY-ZDUSSCGKSA-N 2 1 279.409 2.046 20 0 CEADMP OC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCCC1 ZINC000250870106 285240074 /nfs/dbraw/zinc/24/00/74/285240074.db2.gz SGYDYBASKRNCMI-CABCVRRESA-N 2 1 266.429 2.288 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CC[NH2+]C(C)(C)C)[C@@H](C)C1 ZINC000414694846 285370457 /nfs/dbraw/zinc/37/04/57/285370457.db2.gz GFTOODMTKAVUOS-UONOGXRCSA-N 2 1 255.450 2.037 20 0 CEADMP O[C@H]1c2ccccc2C[C@@H]1[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000305729006 285371928 /nfs/dbraw/zinc/37/19/28/285371928.db2.gz SUEKFKTXCXTLDW-ROUUACIJSA-N 2 1 286.419 2.205 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000300408923 394455495 /nfs/dbraw/zinc/45/54/95/394455495.db2.gz RYWPMKUWNYMUOP-RFQIPJPRSA-N 2 1 252.402 2.016 20 0 CEADMP CC(C)OCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230023500 394478102 /nfs/dbraw/zinc/47/81/02/394478102.db2.gz DKXUSSQWAVVJNZ-UHFFFAOYSA-N 2 1 250.386 2.262 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000252564389 394572113 /nfs/dbraw/zinc/57/21/13/394572113.db2.gz XYYRPBFKRXHIFP-QEJZJMRPSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000252564389 394572114 /nfs/dbraw/zinc/57/21/14/394572114.db2.gz XYYRPBFKRXHIFP-QEJZJMRPSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000070356252 394586946 /nfs/dbraw/zinc/58/69/46/394586946.db2.gz LTXIDLQFLPQOCR-DZGCQCFKSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)CC[N@@H+]1C ZINC000246861648 394522376 /nfs/dbraw/zinc/52/23/76/394522376.db2.gz CMZSIIDDYGWBBB-RYPNDVFKSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)CC[N@H+]1C ZINC000246861648 394522379 /nfs/dbraw/zinc/52/23/79/394522379.db2.gz CMZSIIDDYGWBBB-RYPNDVFKSA-N 2 1 252.402 2.016 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000308372834 394527120 /nfs/dbraw/zinc/52/71/20/394527120.db2.gz RHECRUBMBVKQSN-ZIAGYGMSSA-N 2 1 252.402 2.018 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247990375 394536497 /nfs/dbraw/zinc/53/64/97/394536497.db2.gz JHZBYUANDJOITJ-OFQRWUPVSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247990375 394536500 /nfs/dbraw/zinc/53/65/00/394536500.db2.gz JHZBYUANDJOITJ-OFQRWUPVSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247990375 394536502 /nfs/dbraw/zinc/53/65/02/394536502.db2.gz JHZBYUANDJOITJ-OFQRWUPVSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247990375 394536506 /nfs/dbraw/zinc/53/65/06/394536506.db2.gz JHZBYUANDJOITJ-OFQRWUPVSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248161099 394537052 /nfs/dbraw/zinc/53/70/52/394537052.db2.gz SDCQHGZIJNNHHT-KKUMJFAQSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248161099 394537058 /nfs/dbraw/zinc/53/70/58/394537058.db2.gz SDCQHGZIJNNHHT-KKUMJFAQSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248161099 394537061 /nfs/dbraw/zinc/53/70/61/394537061.db2.gz SDCQHGZIJNNHHT-KKUMJFAQSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248161099 394537063 /nfs/dbraw/zinc/53/70/63/394537063.db2.gz SDCQHGZIJNNHHT-KKUMJFAQSA-N 2 1 295.471 2.096 20 0 CEADMP CCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000311730484 394538430 /nfs/dbraw/zinc/53/84/30/394538430.db2.gz YWLIYMKCSAVZCC-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]2CCCC[C@@H]21)C1CC1 ZINC000311944196 394539033 /nfs/dbraw/zinc/53/90/33/394539033.db2.gz XZUKNQWWLPSQGJ-KBMXLJTQSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]2CCCC[C@@H]21)C1CC1 ZINC000311944196 394539037 /nfs/dbraw/zinc/53/90/37/394539037.db2.gz XZUKNQWWLPSQGJ-KBMXLJTQSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)C1CC1 ZINC000311944196 394539039 /nfs/dbraw/zinc/53/90/39/394539039.db2.gz XZUKNQWWLPSQGJ-KBMXLJTQSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]2CCCC[C@@H]21)C1CC1 ZINC000311944196 394539044 /nfs/dbraw/zinc/53/90/44/394539044.db2.gz XZUKNQWWLPSQGJ-KBMXLJTQSA-N 2 1 266.429 2.096 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257723708 394597667 /nfs/dbraw/zinc/59/76/67/394597667.db2.gz WASJXCSMPDCRRM-MRXNPFEDSA-N 2 1 260.381 2.059 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000356746743 394600481 /nfs/dbraw/zinc/60/04/81/394600481.db2.gz RTGVFMADAAIDOF-AWEZNQCLSA-N 2 1 291.439 2.207 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000261782208 394607574 /nfs/dbraw/zinc/60/75/74/394607574.db2.gz FNQOMHFUMHEMRX-INIZCTEOSA-N 2 1 266.429 2.267 20 0 CEADMP C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OCC1CC1 ZINC000075836032 394612380 /nfs/dbraw/zinc/61/23/80/394612380.db2.gz GIVJRQKTLZFKHW-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OCC1CC1 ZINC000075836032 394612387 /nfs/dbraw/zinc/61/23/87/394612387.db2.gz GIVJRQKTLZFKHW-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])c2cc(N)ccc2O1 ZINC000332066074 394635454 /nfs/dbraw/zinc/63/54/54/394635454.db2.gz SBMBLJGYOGBLMZ-MCIONIFRSA-N 2 1 275.396 2.340 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCOCC2)CCCCC1 ZINC000086869685 394644972 /nfs/dbraw/zinc/64/49/72/394644972.db2.gz FWZYZEWCSIULDZ-CQSZACIVSA-N 2 1 254.418 2.410 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422717199 394737153 /nfs/dbraw/zinc/73/71/53/394737153.db2.gz VVSNTXYDSBSTJR-OAGGEKHMSA-N 2 1 267.461 2.229 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422717884 394738278 /nfs/dbraw/zinc/73/82/78/394738278.db2.gz KUGIJUCYLRFAAY-BRWVUGGUSA-N 3 1 290.455 2.482 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422718792 394738391 /nfs/dbraw/zinc/73/83/91/394738391.db2.gz QBRKAGLGMKHVSR-YCPHGPKFSA-N 2 1 273.424 2.168 20 0 CEADMP CC[N@@H+](C)CCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422721426 394740490 /nfs/dbraw/zinc/74/04/90/394740490.db2.gz VJYOHMGNPSEMGW-HZPDHXFCSA-N 2 1 261.413 2.021 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000335147947 394742936 /nfs/dbraw/zinc/74/29/36/394742936.db2.gz QVAISTOFNDXVNO-GJZGRUSLSA-N 2 1 288.435 2.484 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@H]2C[C@H]2C)CC1 ZINC000414060648 394689478 /nfs/dbraw/zinc/68/94/78/394689478.db2.gz JUOHHMKZRLOBJZ-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000414075293 394695492 /nfs/dbraw/zinc/69/54/92/394695492.db2.gz OYPDNHTXORODQF-IMJJTQAJSA-N 2 1 289.423 2.238 20 0 CEADMP c1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc(C2CC2)c1 ZINC000422554560 394709219 /nfs/dbraw/zinc/70/92/19/394709219.db2.gz MPQRITLLPLOVNV-MRXNPFEDSA-N 2 1 260.381 2.032 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422735243 394747157 /nfs/dbraw/zinc/74/71/57/394747157.db2.gz DQJSXBZGXLTNNP-PMPSAXMXSA-N 2 1 267.461 2.227 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422564637 394712992 /nfs/dbraw/zinc/71/29/92/394712992.db2.gz WKJSGQAKRQLVIZ-IHRRRGAJSA-N 2 1 292.471 2.350 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCOc3ccc(F)cc3C2)CC[NH2+]1 ZINC000334880897 394716982 /nfs/dbraw/zinc/71/69/82/394716982.db2.gz HURDBWYEPIHCIT-CHWSQXEVSA-N 2 1 278.371 2.408 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CCCCN2)CC1 ZINC000422735271 394747640 /nfs/dbraw/zinc/74/76/40/394747640.db2.gz DUJQFFDGZNQQJT-GOEBONIOSA-N 2 1 267.461 2.229 20 0 CEADMP Fc1cc(F)c2c(c1)C[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000334967899 394723292 /nfs/dbraw/zinc/72/32/92/394723292.db2.gz LEGQGJIFGUFXKX-NSHDSACASA-N 2 1 266.335 2.323 20 0 CEADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000414182223 394724542 /nfs/dbraw/zinc/72/45/42/394724542.db2.gz MZXNRHQXONIENI-ZNMIVQPWSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@]1(C)CCCO1 ZINC000414194556 394727905 /nfs/dbraw/zinc/72/79/05/394727905.db2.gz UKTQMVKXRZUBHY-KKUMJFAQSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422704511 394728433 /nfs/dbraw/zinc/72/84/33/394728433.db2.gz PVJLKATVCBCVNK-SWLSCSKDSA-N 2 1 272.396 2.083 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000422704009 394729118 /nfs/dbraw/zinc/72/91/18/394729118.db2.gz OLFOOKWYRCJDBF-CFVMTHIKSA-N 2 1 254.418 2.048 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000414809839 394752218 /nfs/dbraw/zinc/75/22/18/394752218.db2.gz HCDAMSFXSOZECV-LBPRGKRZSA-N 2 1 281.366 2.120 20 0 CEADMP [NH3+]C[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)C1CC1 ZINC000414806255 394752372 /nfs/dbraw/zinc/75/23/72/394752372.db2.gz MSORFAFVDIPYJP-ZIAGYGMSSA-N 2 1 250.773 2.134 20 0 CEADMP C[C@@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422743279 394752854 /nfs/dbraw/zinc/75/28/54/394752854.db2.gz RGRZVNXDCZSHFR-BPQIPLTHSA-N 2 1 287.451 2.381 20 0 CEADMP Clc1cc2c(c(C[NH2+]C[C@@H]3CCC[NH2+]C3)c1)OCC2 ZINC000414822878 394753063 /nfs/dbraw/zinc/75/30/63/394753063.db2.gz CVHOHNKLLQAHLZ-LLVKDONJSA-N 2 1 280.799 2.364 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1cscn1)CC[NH2+]CC2 ZINC000335282240 394756286 /nfs/dbraw/zinc/75/62/86/394756286.db2.gz VWSOSAMUJJUOSH-LLVKDONJSA-N 2 1 251.399 2.107 20 0 CEADMP Cc1csc(N2CCC([NH2+][C@@H](C[NH3+])CC(C)C)CC2)n1 ZINC000414831094 394759014 /nfs/dbraw/zinc/75/90/14/394759014.db2.gz BZGIEVWEBOHGPD-CQSZACIVSA-N 2 1 296.484 2.383 20 0 CEADMP C[NH2+]CC[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000414831994 394760431 /nfs/dbraw/zinc/76/04/31/394760431.db2.gz QMIGDWLZBLOTFG-NSHDSACASA-N 2 1 272.339 2.418 20 0 CEADMP CC(C)[NH+](CC[NH2+]C1CCC(C[NH3+])CC1)C(C)C ZINC000422759147 394764470 /nfs/dbraw/zinc/76/44/70/394764470.db2.gz OYOIIQUYNADLNN-UHFFFAOYSA-N 3 1 255.450 2.212 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000422759845 394764672 /nfs/dbraw/zinc/76/46/72/394764672.db2.gz KGCOMPIYCDHWMB-OLZOCXBDSA-N 2 1 258.369 2.088 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000414840298 394764883 /nfs/dbraw/zinc/76/48/83/394764883.db2.gz MYNGOPGIIWCEIJ-LLVKDONJSA-N 2 1 276.409 2.150 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000272033119 394766520 /nfs/dbraw/zinc/76/65/20/394766520.db2.gz WUZJYCFPYMZDCQ-WBAXXEDZSA-N 2 1 288.435 2.308 20 0 CEADMP C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422768838 394771284 /nfs/dbraw/zinc/77/12/84/394771284.db2.gz OEKBXXRSNMUARU-BZUAXINKSA-N 2 1 267.461 2.371 20 0 CEADMP CC[C@H](NCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422769326 394771354 /nfs/dbraw/zinc/77/13/54/394771354.db2.gz OPZHITCSNVLESO-JYJNAYRXSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422840428 394823250 /nfs/dbraw/zinc/82/32/50/394823250.db2.gz SWMPRYKYXJFRKF-ZBEGNZNMSA-N 2 1 275.371 2.437 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000422840995 394823267 /nfs/dbraw/zinc/82/32/67/394823267.db2.gz UZHXNLZXCHMTQN-HOCLYGCPSA-N 3 1 267.461 2.229 20 0 CEADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC[C@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC000414856670 394773382 /nfs/dbraw/zinc/77/33/82/394773382.db2.gz YXQNKRZIENUWSY-PVAVHDDUSA-N 3 1 273.424 2.069 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000414856331 394773601 /nfs/dbraw/zinc/77/36/01/394773601.db2.gz YONSLDZSMOIUOA-GFCCVEGCSA-N 2 1 293.436 2.063 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOC1CCCC1 ZINC000422771938 394773640 /nfs/dbraw/zinc/77/36/40/394773640.db2.gz WKKILRKRESSHDY-YOEHRIQHSA-N 2 1 276.424 2.494 20 0 CEADMP C[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1c[nH+]ccc1N ZINC000422773938 394774607 /nfs/dbraw/zinc/77/46/07/394774607.db2.gz VJZYFXCECXETIH-KGLIPLIRSA-N 2 1 276.428 2.409 20 0 CEADMP CCc1cccc(F)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414860468 394774605 /nfs/dbraw/zinc/77/46/05/394774605.db2.gz VOTHTLIJUXRADU-GFCCVEGCSA-N 2 1 250.361 2.477 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414863763 394776852 /nfs/dbraw/zinc/77/68/52/394776852.db2.gz YDBAOMPIUZRVHG-HNNXBMFYSA-N 2 1 284.407 2.270 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000414863520 394777013 /nfs/dbraw/zinc/77/70/13/394777013.db2.gz XHZXWQVWVKGVBJ-UHFFFAOYSA-N 2 1 286.423 2.247 20 0 CEADMP C[C@H]1C[C@H](C[NH2+]CC2(N)CCCCCC2)CC[NH2+]1 ZINC000414863938 394777081 /nfs/dbraw/zinc/77/70/81/394777081.db2.gz YFAOTICSWTXKFX-UONOGXRCSA-N 2 1 253.434 2.016 20 0 CEADMP Cc1ccc(O[C@@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422780402 394779257 /nfs/dbraw/zinc/77/92/57/394779257.db2.gz DFCPOZKGJWAWEK-OFQRWUPVSA-N 2 1 262.397 2.492 20 0 CEADMP COc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1OC(F)F ZINC000414875501 394782938 /nfs/dbraw/zinc/78/29/38/394782938.db2.gz BXQDMMPCVFGKGP-UHFFFAOYSA-N 2 1 286.322 2.268 20 0 CEADMP CCCn1c(C[NH2+]C[C@H](C)C[NH3+])nc2ccccc21 ZINC000414876056 394782969 /nfs/dbraw/zinc/78/29/69/394782969.db2.gz KSHFJDDVCQLTIA-GFCCVEGCSA-N 2 1 260.385 2.131 20 0 CEADMP c1ccc2c(c1)CC([NH2+]CCC[NH2+]Cc1cccnc1)C2 ZINC000414879542 394784650 /nfs/dbraw/zinc/78/46/50/394784650.db2.gz OYZLHOXIUNJEDP-UHFFFAOYSA-N 2 1 281.403 2.318 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000414899353 394794700 /nfs/dbraw/zinc/79/47/00/394794700.db2.gz FQKAHCHHHBBFOH-DOTOQJQBSA-N 3 1 275.440 2.368 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000414899353 394794705 /nfs/dbraw/zinc/79/47/05/394794705.db2.gz FQKAHCHHHBBFOH-DOTOQJQBSA-N 3 1 275.440 2.368 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422797977 394795070 /nfs/dbraw/zinc/79/50/70/394795070.db2.gz PHBQWZITGPMOJK-GDBMZVCRSA-N 3 1 267.461 2.358 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422797977 394795072 /nfs/dbraw/zinc/79/50/72/394795072.db2.gz PHBQWZITGPMOJK-GDBMZVCRSA-N 3 1 267.461 2.358 20 0 CEADMP C[C@@H](NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000422800712 394795881 /nfs/dbraw/zinc/79/58/81/394795881.db2.gz CREHYVRIEKNHON-MRVWCRGKSA-N 2 1 267.442 2.081 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422801211 394796511 /nfs/dbraw/zinc/79/65/11/394796511.db2.gz FAWAUPYYJMYMLP-HZPDHXFCSA-N 2 1 275.396 2.395 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[NH+]1CCCCCC1 ZINC000422801333 394796623 /nfs/dbraw/zinc/79/66/23/394796623.db2.gz BSILVNWUZGJKOF-AWEZNQCLSA-N 2 1 290.455 2.375 20 0 CEADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414925502 394806406 /nfs/dbraw/zinc/80/64/06/394806406.db2.gz IBKDBGUKKSUBDP-SNVBAGLBSA-N 2 1 298.312 2.328 20 0 CEADMP CCC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CCOCC1 ZINC000422814959 394806497 /nfs/dbraw/zinc/80/64/97/394806497.db2.gz WOYYHYWSMIUGCI-GFCCVEGCSA-N 2 1 263.385 2.352 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000422813939 394806767 /nfs/dbraw/zinc/80/67/67/394806767.db2.gz ZGAYNZVWARUXTQ-HNNXBMFYSA-N 3 1 275.440 2.152 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000422813939 394806770 /nfs/dbraw/zinc/80/67/70/394806770.db2.gz ZGAYNZVWARUXTQ-HNNXBMFYSA-N 3 1 275.440 2.152 20 0 CEADMP C[C@H]([NH2+]CCc1cn2ccccc2n1)c1c[nH+]ccc1N ZINC000422815210 394807147 /nfs/dbraw/zinc/80/71/47/394807147.db2.gz AVFRHJAFZKCSLL-LBPRGKRZSA-N 2 1 281.363 2.035 20 0 CEADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414930954 394808596 /nfs/dbraw/zinc/80/85/96/394808596.db2.gz PQDUWSHYZXDXTF-SECBINFHSA-N 2 1 262.275 2.065 20 0 CEADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)C[NH3+])c(Cl)c1 ZINC000414931792 394808893 /nfs/dbraw/zinc/80/88/93/394808893.db2.gz RUFFUMHTMHMLSN-GHMZBOCLSA-N 2 1 283.803 2.302 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000422821888 394812011 /nfs/dbraw/zinc/81/20/11/394812011.db2.gz ZCBPZXODVCGIFZ-HZPDHXFCSA-N 2 1 288.439 2.431 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000422823761 394812569 /nfs/dbraw/zinc/81/25/69/394812569.db2.gz FDVHKMJOXKZJAO-HZPDHXFCSA-N 2 1 288.439 2.431 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000414940827 394814171 /nfs/dbraw/zinc/81/41/71/394814171.db2.gz YBNKBBHQSVRBEP-NFAWXSAZSA-N 2 1 260.381 2.140 20 0 CEADMP CC1([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC[NH2+]CC1 ZINC000414944793 394815230 /nfs/dbraw/zinc/81/52/30/394815230.db2.gz QKRKNNLEJUTKGA-UHFFFAOYSA-N 2 1 288.370 2.243 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cnc(-c3ccncc3)s2)CC[NH2+]1 ZINC000414948517 394817918 /nfs/dbraw/zinc/81/79/18/394817918.db2.gz MFPZKAFGOKRWJV-WCQYABFASA-N 2 1 288.420 2.435 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCNc1ccccc1F ZINC000423026417 394884721 /nfs/dbraw/zinc/88/47/21/394884721.db2.gz BECTYPKDPCWXMW-IUODEOHRSA-N 2 1 265.376 2.215 20 0 CEADMP COCCOc1cccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000415051311 394864486 /nfs/dbraw/zinc/86/44/86/394864486.db2.gz JJFDIIBNLKEDPH-HNNXBMFYSA-N 2 1 280.412 2.175 20 0 CEADMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)[NH+](CC)CC ZINC000362650563 394866165 /nfs/dbraw/zinc/86/61/65/394866165.db2.gz CFHYJZDZWBHBMC-JKSUJKDBSA-N 2 1 297.487 2.201 20 0 CEADMP Cc1[nH+]c(N2CCOCC2)ccc1NCC[NH2+]C(C)(C)C ZINC000415089198 394884929 /nfs/dbraw/zinc/88/49/29/394884929.db2.gz NFODQXHGHNOWKB-UHFFFAOYSA-N 2 1 292.427 2.027 20 0 CEADMP CCCOc1ncccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422971837 394871055 /nfs/dbraw/zinc/87/10/55/394871055.db2.gz JVKZYVSQISFTHZ-VXGBXAGGSA-N 2 1 251.374 2.086 20 0 CEADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422971560 394871579 /nfs/dbraw/zinc/87/15/79/394871579.db2.gz JDVKAEDFQDOJGJ-ZFWWWQNUSA-N 2 1 290.455 2.231 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422971560 394871581 /nfs/dbraw/zinc/87/15/81/394871581.db2.gz JDVKAEDFQDOJGJ-ZFWWWQNUSA-N 3 1 290.455 2.231 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422971560 394871582 /nfs/dbraw/zinc/87/15/82/394871582.db2.gz JDVKAEDFQDOJGJ-ZFWWWQNUSA-N 3 1 290.455 2.231 20 0 CEADMP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])c1ccco1 ZINC000422972193 394871676 /nfs/dbraw/zinc/87/16/76/394871676.db2.gz KTWDZBZIKVEWAO-RRFJBIMHSA-N 2 1 279.428 2.380 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC[NH2+]C1CC1 ZINC000415073937 394875403 /nfs/dbraw/zinc/87/54/03/394875403.db2.gz ZHQSZLPXRXCCOR-UKRRQHHQSA-N 3 1 253.434 2.029 20 0 CEADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC[NH2+]C1CC1 ZINC000415073935 394875652 /nfs/dbraw/zinc/87/56/52/394875652.db2.gz ZHQSZLPXRXCCOR-DZGCQCFKSA-N 3 1 253.434 2.029 20 0 CEADMP Cc1ccc2nc(C[NH2+]C[C@H]3CC[NH2+][C@@H](C)C3)[nH]c2c1 ZINC000415074742 394877285 /nfs/dbraw/zinc/87/72/85/394877285.db2.gz AEGKUCAYEUOAFP-STQMWFEESA-N 2 1 272.396 2.349 20 0 CEADMP Cc1cc(C)n(-c2ccccc2C[NH2+]CC(C)(C)[NH3+])n1 ZINC000415076755 394878369 /nfs/dbraw/zinc/87/83/69/394878369.db2.gz BDRACVZEKHCNLK-UHFFFAOYSA-N 2 1 272.396 2.316 20 0 CEADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336815986 394879514 /nfs/dbraw/zinc/87/95/14/394879514.db2.gz JZJFCSQHJZIDAD-PMPSAXMXSA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336815986 394879516 /nfs/dbraw/zinc/87/95/16/394879516.db2.gz JZJFCSQHJZIDAD-PMPSAXMXSA-N 2 1 268.445 2.246 20 0 CEADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)CCC2 ZINC000423010277 394880317 /nfs/dbraw/zinc/88/03/17/394880317.db2.gz XIENXPDEHAYREM-SOUVJXGZSA-N 2 1 276.428 2.189 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423012128 394881836 /nfs/dbraw/zinc/88/18/36/394881836.db2.gz JZLBINRWWTUJFS-ORQFMDKSSA-N 2 1 273.424 2.162 20 0 CEADMP C[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])[N@H+]1CCCC[C@H]1C ZINC000422853165 394830579 /nfs/dbraw/zinc/83/05/79/394830579.db2.gz BOFOBNZVYMHSEO-WCVJEAGWSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])N1CCCC[C@H]1C ZINC000422853165 394830583 /nfs/dbraw/zinc/83/05/83/394830583.db2.gz BOFOBNZVYMHSEO-WCVJEAGWSA-N 2 1 267.461 2.356 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000414973877 394832307 /nfs/dbraw/zinc/83/23/07/394832307.db2.gz NBOINDAKDDMGBW-HNNXBMFYSA-N 2 1 288.439 2.160 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000414973265 394832600 /nfs/dbraw/zinc/83/26/00/394832600.db2.gz CBFNALSZPKXXIE-SNVBAGLBSA-N 2 1 287.201 2.285 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000422858938 394833367 /nfs/dbraw/zinc/83/33/67/394833367.db2.gz GTQNIPGNHXMJPB-NOYHWAJDSA-N 2 1 277.456 2.122 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CN1C1CC1 ZINC000422858938 394833371 /nfs/dbraw/zinc/83/33/71/394833371.db2.gz GTQNIPGNHXMJPB-NOYHWAJDSA-N 2 1 277.456 2.122 20 0 CEADMP COc1ccsc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000414982715 394835772 /nfs/dbraw/zinc/83/57/72/394835772.db2.gz YZDSXEZIMFKTLF-LBPRGKRZSA-N 2 1 254.399 2.234 20 0 CEADMP CCO[C@H](CC[NH+](C)C)CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422867244 394837956 /nfs/dbraw/zinc/83/79/56/394837956.db2.gz RUUYUXWKFGVWOU-COXVUDFISA-N 2 1 291.439 2.078 20 0 CEADMP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422874070 394842001 /nfs/dbraw/zinc/84/20/01/394842001.db2.gz CCGJYIBQLIESAJ-GJZGRUSLSA-N 2 1 275.396 2.395 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422874465 394842082 /nfs/dbraw/zinc/84/20/82/394842082.db2.gz ABXUKXHPNKHDLK-XGUBFFRZSA-N 3 1 255.450 2.070 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422874465 394842085 /nfs/dbraw/zinc/84/20/85/394842085.db2.gz ABXUKXHPNKHDLK-XGUBFFRZSA-N 3 1 255.450 2.070 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422873628 394842784 /nfs/dbraw/zinc/84/27/84/394842784.db2.gz AUVGJBNNBKEKMW-QLFBSQMISA-N 3 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]1N ZINC000422873628 394842786 /nfs/dbraw/zinc/84/27/86/394842786.db2.gz AUVGJBNNBKEKMW-QLFBSQMISA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]1N ZINC000422873628 394842790 /nfs/dbraw/zinc/84/27/90/394842790.db2.gz AUVGJBNNBKEKMW-QLFBSQMISA-N 2 1 253.434 2.110 20 0 CEADMP CSc1cc(C)ccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422873760 394842856 /nfs/dbraw/zinc/84/28/56/394842856.db2.gz MCAHZFPJJPYEBB-LLVKDONJSA-N 2 1 250.411 2.414 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1OC(F)F ZINC000415001412 394842977 /nfs/dbraw/zinc/84/29/77/394842977.db2.gz CEUHMRMWQURDJC-IUCAKERBSA-N 2 1 274.311 2.122 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CNCC[C@H]2C)C1 ZINC000422876001 394843574 /nfs/dbraw/zinc/84/35/74/394843574.db2.gz FRRFVSTZMCHSLR-YYIAUSFCSA-N 2 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422876001 394843578 /nfs/dbraw/zinc/84/35/78/394843578.db2.gz FRRFVSTZMCHSLR-YYIAUSFCSA-N 2 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422876001 394843582 /nfs/dbraw/zinc/84/35/82/394843582.db2.gz FRRFVSTZMCHSLR-YYIAUSFCSA-N 2 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422876001 394843584 /nfs/dbraw/zinc/84/35/84/394843584.db2.gz FRRFVSTZMCHSLR-YYIAUSFCSA-N 3 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422876001 394843586 /nfs/dbraw/zinc/84/35/86/394843586.db2.gz FRRFVSTZMCHSLR-YYIAUSFCSA-N 3 1 281.488 2.332 20 0 CEADMP C[N@H+](C[C@H]1CC12CC[NH+](Cc1ccon1)CC2)C1CC1 ZINC000362106811 394844420 /nfs/dbraw/zinc/84/44/20/394844420.db2.gz QRJTXFACGLYPDT-CYBMUJFWSA-N 2 1 275.396 2.371 20 0 CEADMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1ccon1)CC2)C1CC1 ZINC000362106811 394844425 /nfs/dbraw/zinc/84/44/25/394844425.db2.gz QRJTXFACGLYPDT-CYBMUJFWSA-N 2 1 275.396 2.371 20 0 CEADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422878400 394845944 /nfs/dbraw/zinc/84/59/44/394845944.db2.gz SXIWXNRWRYEAPK-LHKMKVQPSA-N 2 1 291.483 2.370 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422878400 394845946 /nfs/dbraw/zinc/84/59/46/394845946.db2.gz SXIWXNRWRYEAPK-LHKMKVQPSA-N 2 1 291.483 2.370 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422879705 394846034 /nfs/dbraw/zinc/84/60/34/394846034.db2.gz KTLVQRAYDSJQBI-PMPSAXMXSA-N 3 1 267.461 2.358 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422882634 394848138 /nfs/dbraw/zinc/84/81/38/394848138.db2.gz PIAWPPIMUCMPGP-YVSFHVDLSA-N 3 1 281.488 2.462 20 0 CEADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CCC[C@@H]2[NH3+])n1 ZINC000422888124 394851063 /nfs/dbraw/zinc/85/10/63/394851063.db2.gz MDKLGHHDIQABQE-HOTGVXAUSA-N 2 1 284.407 2.459 20 0 CEADMP CC(C)c1csc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])n1 ZINC000422890748 394853194 /nfs/dbraw/zinc/85/31/94/394853194.db2.gz JDECWEZGAWPMAS-SDDRHHMPSA-N 2 1 283.441 2.108 20 0 CEADMP CC(C)OCCC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000337080300 394884432 /nfs/dbraw/zinc/88/44/32/394884432.db2.gz VFGVLNCQFFCVFJ-SJORKVTESA-N 2 1 276.424 2.476 20 0 CEADMP Cc1oc2ccccc2c1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415042486 394860704 /nfs/dbraw/zinc/86/07/04/394860704.db2.gz QNTLBRUTTJZQHZ-ZDUSSCGKSA-N 2 1 274.364 2.209 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c2ccccc21 ZINC000423196115 394887693 /nfs/dbraw/zinc/88/76/93/394887693.db2.gz YXBNDHQPPUKJRX-SYQHCUMBSA-N 2 1 282.334 2.270 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000130548424 394889498 /nfs/dbraw/zinc/88/94/98/394889498.db2.gz KQIHPCRMIDDOQR-ZFWWWQNUSA-N 2 1 290.407 2.278 20 0 CEADMP C[C@H](C[NH3+])CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423299888 394890094 /nfs/dbraw/zinc/89/00/94/394890094.db2.gz CNIBREBLYVAWNM-VNQPRFMTSA-N 2 1 261.413 2.006 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000423299888 394890099 /nfs/dbraw/zinc/89/00/99/394890099.db2.gz CNIBREBLYVAWNM-VNQPRFMTSA-N 2 1 261.413 2.006 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cncc(F)c1 ZINC000423336350 394890217 /nfs/dbraw/zinc/89/02/17/394890217.db2.gz SJZZTNJKQWXHQV-BXUZGUMPSA-N 2 1 251.349 2.261 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000415102013 394890367 /nfs/dbraw/zinc/89/03/67/394890367.db2.gz CAQMOONRCHMZBD-ZFWWWQNUSA-N 2 1 284.407 2.493 20 0 CEADMP Cn1cc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cn1 ZINC000281992936 394891648 /nfs/dbraw/zinc/89/16/48/394891648.db2.gz IIZUNVBSKRAIFR-OAHLLOKOSA-N 2 1 299.422 2.333 20 0 CEADMP COCCc1nc(C)c([C@@H](C)[NH2+]CC2([NH3+])CCC2)s1 ZINC000423341961 394892020 /nfs/dbraw/zinc/89/20/20/394892020.db2.gz YLIUUWGEROGWFD-SNVBAGLBSA-N 2 1 283.441 2.172 20 0 CEADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423355673 394899216 /nfs/dbraw/zinc/89/92/16/394899216.db2.gz FTWQKMAYHGNXMP-XKQJLSEDSA-N 2 1 294.414 2.361 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000415131460 394900374 /nfs/dbraw/zinc/90/03/74/394900374.db2.gz SHNOHASDTCOYBO-GOEBONIOSA-N 2 1 290.455 2.343 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1C[NH3+] ZINC000415138931 394902571 /nfs/dbraw/zinc/90/25/71/394902571.db2.gz ZJBIXRYSQCNXQQ-ZBFHGGJFSA-N 2 1 284.407 2.289 20 0 CEADMP c1ccc(C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2cccnc2)nc1 ZINC000423366205 394902617 /nfs/dbraw/zinc/90/26/17/394902617.db2.gz PYHYDUFXXIBXRZ-AEFFLSMTSA-N 2 1 296.418 2.492 20 0 CEADMP C[C@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000423364640 394902742 /nfs/dbraw/zinc/90/27/42/394902742.db2.gz OWOWAQBIKIQQEQ-CGTJXYLNSA-N 2 1 287.451 2.381 20 0 CEADMP Cc1cc(C)cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000282049063 394902858 /nfs/dbraw/zinc/90/28/58/394902858.db2.gz AZFXLMXXCCTCOD-UHFFFAOYSA-N 2 1 289.467 2.419 20 0 CEADMP CC(C)n1nccc1CN(C)CCCn1ccnc1 ZINC000282058088 394903728 /nfs/dbraw/zinc/90/37/28/394903728.db2.gz RZTUBCFQEDFCHW-UHFFFAOYSA-N 2 1 261.373 2.183 20 0 CEADMP [NH3+]CC1(O)CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000415143825 394903858 /nfs/dbraw/zinc/90/38/58/394903858.db2.gz STZJQRKWIYJXSI-UHFFFAOYSA-N 2 1 294.342 2.053 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423371337 394904663 /nfs/dbraw/zinc/90/46/63/394904663.db2.gz VCTJAEZSSWAGFM-PGOFDVKTSA-N 2 1 282.428 2.086 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)C1CCOCC1 ZINC000423385893 394909181 /nfs/dbraw/zinc/90/91/81/394909181.db2.gz KYZDFGSUTHRGHK-JSGCOSHPSA-N 2 1 254.418 2.169 20 0 CEADMP COC[C@]1(C[NH2+][C@@H]2C[C@@H](OCC(C)C)C2(C)C)CCC[NH2+]1 ZINC000423423636 394918836 /nfs/dbraw/zinc/91/88/36/394918836.db2.gz ZZHRDABHWWAPIM-BFYDXBDKSA-N 2 1 298.471 2.184 20 0 CEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)cs1 ZINC000423428158 394919714 /nfs/dbraw/zinc/91/97/14/394919714.db2.gz JFACGFIAFPGLPP-CNABLZDZSA-N 2 1 287.226 2.379 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000423442300 394922345 /nfs/dbraw/zinc/92/23/45/394922345.db2.gz BOAZBYUYIUIWAN-VXGBXAGGSA-N 2 1 266.385 2.400 20 0 CEADMP CSC1(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CCC1 ZINC000365611891 394929298 /nfs/dbraw/zinc/92/92/98/394929298.db2.gz JMHHYDMFCXHNBJ-RRFJBIMHSA-N 2 1 298.496 2.456 20 0 CEADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCN2C)cc1 ZINC000423481400 394930584 /nfs/dbraw/zinc/93/05/84/394930584.db2.gz QKIXCMAVPBSFKZ-GDBMZVCRSA-N 2 1 291.439 2.028 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423487412 394932057 /nfs/dbraw/zinc/93/20/57/394932057.db2.gz UHBCSBMMJKTIRC-UAGQMJEPSA-N 2 1 275.440 2.067 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccsc1 ZINC000423492606 394935604 /nfs/dbraw/zinc/93/56/04/394935604.db2.gz NWQGKUKCNCUQOO-OLZOCXBDSA-N 2 1 254.399 2.167 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)s1 ZINC000423498761 394936420 /nfs/dbraw/zinc/93/64/20/394936420.db2.gz CAMAUKUKDUJTSO-NWDGAFQWSA-N 2 1 254.399 2.086 20 0 CEADMP CCc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)s1 ZINC000423502502 394938129 /nfs/dbraw/zinc/93/81/29/394938129.db2.gz FBRNXSIOCREVQX-RYUDHWBXSA-N 2 1 268.426 2.340 20 0 CEADMP COC1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423507424 394940412 /nfs/dbraw/zinc/94/04/12/394940412.db2.gz IOPZVLVSOJBMEP-SJJHQCBESA-N 2 1 274.408 2.289 20 0 CEADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339066415 394940684 /nfs/dbraw/zinc/94/06/84/394940684.db2.gz CIWVDXMRZHOITN-VVLHAWIVSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339066415 394940689 /nfs/dbraw/zinc/94/06/89/394940689.db2.gz CIWVDXMRZHOITN-VVLHAWIVSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000423550531 394949866 /nfs/dbraw/zinc/94/98/66/394949866.db2.gz NZWNQZFNJUBZEK-AGERRDQYSA-N 2 1 289.467 2.407 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340227712 394981566 /nfs/dbraw/zinc/98/15/66/394981566.db2.gz CHVXFDKUUWBGEU-ZIAGYGMSSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCn2cccn2)C[C@@H]1c1ccccc1 ZINC000340274898 394982237 /nfs/dbraw/zinc/98/22/37/394982237.db2.gz ADZJLFMRZDTCMX-DLBZAZTESA-N 2 1 284.407 2.308 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCn2cccn2)C[C@@H]1c1ccccc1 ZINC000340274898 394982240 /nfs/dbraw/zinc/98/22/40/394982240.db2.gz ADZJLFMRZDTCMX-DLBZAZTESA-N 2 1 284.407 2.308 20 0 CEADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340246852 394982266 /nfs/dbraw/zinc/98/22/66/394982266.db2.gz XZZCBNHSTDDBOV-GVDBMIGSSA-N 2 1 276.424 2.428 20 0 CEADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340246852 394982270 /nfs/dbraw/zinc/98/22/70/394982270.db2.gz XZZCBNHSTDDBOV-GVDBMIGSSA-N 2 1 276.424 2.428 20 0 CEADMP CC(C)SCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000368485613 394987007 /nfs/dbraw/zinc/98/70/07/394987007.db2.gz WUTSCLLRTSILHB-SOUVJXGZSA-N 2 1 286.485 2.312 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415965270 394988836 /nfs/dbraw/zinc/98/88/36/394988836.db2.gz XTNXHJHWXOJJKS-HNNXBMFYSA-N 2 1 290.411 2.141 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccn1 ZINC000367539198 394964336 /nfs/dbraw/zinc/96/43/36/394964336.db2.gz XLUIDCDOULNNKH-ZNMIVQPWSA-N 2 1 275.396 2.053 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCCC2)[C@H]2CCC[C@@H]21 ZINC000367589547 394966201 /nfs/dbraw/zinc/96/62/01/394966201.db2.gz PLCPXAMPDFULTK-IKGGRYGDSA-N 3 1 279.472 2.325 20 0 CEADMP CN1CC[C@H]([NH2+]CCCC[NH+]2CCCC2)[C@H]2CCC[C@@H]21 ZINC000367589547 394966204 /nfs/dbraw/zinc/96/62/04/394966204.db2.gz PLCPXAMPDFULTK-IKGGRYGDSA-N 2 1 279.472 2.325 20 0 CEADMP CN(C)C(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344084264 395049805 /nfs/dbraw/zinc/04/98/05/395049805.db2.gz DCHOOGIOQNFYMF-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP CC[N@H+](CCCCn1cc[nH+]c1C)Cc1cnn(C)c1 ZINC000162199792 395071934 /nfs/dbraw/zinc/07/19/34/395071934.db2.gz DCPMWMKYCYYVES-UHFFFAOYSA-N 2 1 275.400 2.227 20 0 CEADMP CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1cnn(C)c1 ZINC000162199792 395071939 /nfs/dbraw/zinc/07/19/39/395071939.db2.gz DCPMWMKYCYYVES-UHFFFAOYSA-N 2 1 275.400 2.227 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1n1ccnc1 ZINC000163278114 395083685 /nfs/dbraw/zinc/08/36/85/395083685.db2.gz YYQPPSAIUJKQBH-ILXRZTDVSA-N 2 1 263.385 2.335 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccccc3C2)CC[N@@H+]1C ZINC000164301768 395085180 /nfs/dbraw/zinc/08/51/80/395085180.db2.gz FTNALHBGAQRCPZ-VHDGCEQUSA-N 2 1 260.381 2.062 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccccc3C2)CC[N@H+]1C ZINC000164301768 395085184 /nfs/dbraw/zinc/08/51/84/395085184.db2.gz FTNALHBGAQRCPZ-VHDGCEQUSA-N 2 1 260.381 2.062 20 0 CEADMP CC(C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000165650652 395086560 /nfs/dbraw/zinc/08/65/60/395086560.db2.gz VFFZIYXROFVVQW-INIZCTEOSA-N 2 1 295.471 2.084 20 0 CEADMP Cc1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)on1 ZINC000171599765 395096329 /nfs/dbraw/zinc/09/63/29/395096329.db2.gz LYSLAYMEXYSCQD-UHFFFAOYSA-N 2 1 274.368 2.171 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000157467732 395035072 /nfs/dbraw/zinc/03/50/72/395035072.db2.gz LRVUOIMUDJJWGP-FPCVCCKLSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428030970 395132493 /nfs/dbraw/zinc/13/24/93/395132493.db2.gz GBBTWOZEAIAGBF-WCVJEAGWSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428030970 395132497 /nfs/dbraw/zinc/13/24/97/395132497.db2.gz GBBTWOZEAIAGBF-WCVJEAGWSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000347409032 395123852 /nfs/dbraw/zinc/12/38/52/395123852.db2.gz BJNZPEGKRIQCEY-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@@H]1CCCCO1)C[C@H]1CCC[N@H+](C)C1 ZINC000347409032 395123855 /nfs/dbraw/zinc/12/38/55/395123855.db2.gz BJNZPEGKRIQCEY-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@@H]1CCCCO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000347409032 395123858 /nfs/dbraw/zinc/12/38/58/395123858.db2.gz BJNZPEGKRIQCEY-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[NH2+]CC2)C[C@@H]1C ZINC000427317592 395104226 /nfs/dbraw/zinc/10/42/26/395104226.db2.gz XLYGXAVUEQKQJJ-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C2CC2)cc1 ZINC000348259621 395141390 /nfs/dbraw/zinc/14/13/90/395141390.db2.gz GWVAXZODEAKBGX-IAGOWNOFSA-N 2 1 274.408 2.102 20 0 CEADMP Cc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C2CC2)cc1 ZINC000348259621 395141394 /nfs/dbraw/zinc/14/13/94/395141394.db2.gz GWVAXZODEAKBGX-IAGOWNOFSA-N 2 1 274.408 2.102 20 0 CEADMP C([NH2+][C@H]1CCC12CCOCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000377121766 395134128 /nfs/dbraw/zinc/13/41/28/395134128.db2.gz YDGQYTRVRPZFGX-ZFWWWQNUSA-N 2 1 264.413 2.020 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000430594628 395165638 /nfs/dbraw/zinc/16/56/38/395165638.db2.gz RXYWALPXKAZGQC-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CCCC[NH3+])C[C@H]1C ZINC000418670955 395233153 /nfs/dbraw/zinc/23/31/53/395233153.db2.gz KMWPBYISOLYITE-KFWWJZLASA-N 2 1 298.475 2.018 20 0 CEADMP C[C@H](CCCC[NH3+])NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000418717079 395235811 /nfs/dbraw/zinc/23/58/11/395235811.db2.gz ZEKUWCILJKEWHL-HUUCEWRRSA-N 2 1 298.475 2.020 20 0 CEADMP Cc1ncc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)s1 ZINC000400052572 395249116 /nfs/dbraw/zinc/24/91/16/395249116.db2.gz KLOYFVVXPWMPNI-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)CC2(C)C)CC1 ZINC000350254358 395183537 /nfs/dbraw/zinc/18/35/37/395183537.db2.gz OXFBUDPJQZBDMQ-AWEZNQCLSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccncc1Cl ZINC000383941490 395188748 /nfs/dbraw/zinc/18/87/48/395188748.db2.gz FAJIDULELNZOPQ-UHFFFAOYSA-N 2 1 250.733 2.030 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCN3CCc4ccccc43)CC[C@@H]21 ZINC000292560056 395197479 /nfs/dbraw/zinc/19/74/79/395197479.db2.gz ROKUEDNHXKXGBM-ROUUACIJSA-N 2 1 299.462 2.465 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCN3CCc4ccccc43)CC[C@@H]21 ZINC000292560056 395197482 /nfs/dbraw/zinc/19/74/82/395197482.db2.gz ROKUEDNHXKXGBM-ROUUACIJSA-N 2 1 299.462 2.465 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCN3CCc4ccccc43)CC[C@@H]21 ZINC000292560056 395197485 /nfs/dbraw/zinc/19/74/85/395197485.db2.gz ROKUEDNHXKXGBM-ROUUACIJSA-N 2 1 299.462 2.465 20 0 CEADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]CC[C@H]1CCOC1 ZINC000438206187 395211822 /nfs/dbraw/zinc/21/18/22/395211822.db2.gz IPQNBTPKWKCGSP-QXSJWSMHSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]CC[C@H]1CCOC1 ZINC000438206187 395211828 /nfs/dbraw/zinc/21/18/28/395211828.db2.gz IPQNBTPKWKCGSP-QXSJWSMHSA-N 2 1 268.445 2.369 20 0 CEADMP COc1ccccc1OCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397307906 395221629 /nfs/dbraw/zinc/22/16/29/395221629.db2.gz NJABACVVPMXZPP-ILXRZTDVSA-N 2 1 292.423 2.379 20 0 CEADMP Cc1noc(C)c1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397315192 395222374 /nfs/dbraw/zinc/22/23/74/395222374.db2.gz QOGWWMLCGQEFOE-KWBADKCTSA-N 2 1 251.374 2.097 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000420276353 395290307 /nfs/dbraw/zinc/29/03/07/395290307.db2.gz ROEQDFALUNBISV-UHFFFAOYSA-N 2 1 251.399 2.191 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2cc(C(C)(C)C)on2)CC1 ZINC000420282354 395293298 /nfs/dbraw/zinc/29/32/98/395293298.db2.gz BIOUKJNCQVJEEW-UHFFFAOYSA-N 2 1 265.401 2.404 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C2CCCCC2)C1 ZINC000420287677 395295961 /nfs/dbraw/zinc/29/59/61/395295961.db2.gz IITQFTLUFQPHHP-SOUVJXGZSA-N 2 1 295.471 2.225 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C2CCCCC2)C1 ZINC000420287677 395295965 /nfs/dbraw/zinc/29/59/65/395295965.db2.gz IITQFTLUFQPHHP-SOUVJXGZSA-N 2 1 295.471 2.225 20 0 CEADMP CC(C)c1cc(N2CC[C@@H](C)[C@H](C[NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420291559 395299241 /nfs/dbraw/zinc/29/92/41/395299241.db2.gz XGKRHCBKVVQPLK-CHWSQXEVSA-N 2 1 291.443 2.087 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCCc2ccccc2OC)C1 ZINC000420292094 395299430 /nfs/dbraw/zinc/29/94/30/395299430.db2.gz LGELLVICKVNYHX-CQSZACIVSA-N 2 1 262.397 2.169 20 0 CEADMP COc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420296729 395302277 /nfs/dbraw/zinc/30/22/77/395302277.db2.gz DRFCTLFSCRIZEM-GOEBONIOSA-N 2 1 274.408 2.484 20 0 CEADMP Cc1cccc(C)c1NC(=O)C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420299041 395303725 /nfs/dbraw/zinc/30/37/25/395303725.db2.gz GDSHUPWFAWVXQL-HNNXBMFYSA-N 2 1 289.423 2.173 20 0 CEADMP c1ccc([C@H]2CCC[N@H+](CCN3CC[NH2+]CC3)CC2)cc1 ZINC000420298542 395304338 /nfs/dbraw/zinc/30/43/38/395304338.db2.gz HPLQGCFLZPKGKQ-SFHVURJKSA-N 2 1 287.451 2.161 20 0 CEADMP CC[C@H](C)[N@@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420299444 395305405 /nfs/dbraw/zinc/30/54/05/395305405.db2.gz GNXVLCIMTSBZOW-JSGCOSHPSA-N 2 1 250.386 2.468 20 0 CEADMP c1ccc([C@H]2COCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420301090 395306218 /nfs/dbraw/zinc/30/62/18/395306218.db2.gz LAOKZTNYUOCEQL-DOTOQJQBSA-N 2 1 274.408 2.450 20 0 CEADMP OCC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000420303434 395308194 /nfs/dbraw/zinc/30/81/94/395308194.db2.gz NITVSVNIVYWVPL-QAPCUYQASA-N 2 1 288.435 2.358 20 0 CEADMP Cc1ccc(NC(=O)C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420303503 395308263 /nfs/dbraw/zinc/30/82/63/395308263.db2.gz KLVUWJUHGRWTJG-HNNXBMFYSA-N 2 1 289.423 2.255 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)s1 ZINC000420303668 395309304 /nfs/dbraw/zinc/30/93/04/395309304.db2.gz IBEDFCLMZGMSMW-UHTWSYAYSA-N 2 1 294.420 2.012 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)s1 ZINC000420303668 395309308 /nfs/dbraw/zinc/30/93/08/395309308.db2.gz IBEDFCLMZGMSMW-UHTWSYAYSA-N 2 1 294.420 2.012 20 0 CEADMP CN(CC[N@@H+](C)CC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000420306292 395311180 /nfs/dbraw/zinc/31/11/80/395311180.db2.gz AHEHDSVAQQPUKM-HNNXBMFYSA-N 2 1 261.413 2.054 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420311534 395314805 /nfs/dbraw/zinc/31/48/05/395314805.db2.gz HDMKXJVQHUYXFP-WBVHZDCISA-N 3 1 279.472 2.040 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420311534 395314809 /nfs/dbraw/zinc/31/48/09/395314809.db2.gz HDMKXJVQHUYXFP-WBVHZDCISA-N 3 1 279.472 2.040 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420311534 395314810 /nfs/dbraw/zinc/31/48/10/395314810.db2.gz HDMKXJVQHUYXFP-WBVHZDCISA-N 2 1 279.472 2.040 20 0 CEADMP CCC[N@@H+](CC[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000420313683 395318857 /nfs/dbraw/zinc/31/88/57/395318857.db2.gz JHMSXEKQKCODIF-OAHLLOKOSA-N 2 1 254.418 2.410 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1cccc(F)c1 ZINC000420324969 395327803 /nfs/dbraw/zinc/32/78/03/395327803.db2.gz VVVHHIBPNVSARS-CYBMUJFWSA-N 2 1 293.386 2.086 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000419234677 395254953 /nfs/dbraw/zinc/25/49/53/395254953.db2.gz IGBBQJOYWMTRBI-VVLHAWIVSA-N 2 1 298.471 2.231 20 0 CEADMP C[C@@H]([NH3+])C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000420320531 395324310 /nfs/dbraw/zinc/32/43/10/395324310.db2.gz QLYRVLYCCQSIOX-GFCCVEGCSA-N 2 1 250.361 2.427 20 0 CEADMP COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1CCOCC[NH3+] ZINC000420366464 395353761 /nfs/dbraw/zinc/35/37/61/395353761.db2.gz FWLPQWAHTFWTFU-GDBMZVCRSA-N 2 1 292.423 2.444 20 0 CEADMP [NH3+]C[C@@H]([NH2+]CC[C@@H]1CCCCO1)C1CCCCC1 ZINC000420371373 395357075 /nfs/dbraw/zinc/35/70/75/395357075.db2.gz PJKYRXLKPIAFIN-LSDHHAIUSA-N 2 1 254.418 2.443 20 0 CEADMP Cn1nccc1[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420375829 395361916 /nfs/dbraw/zinc/36/19/16/395361916.db2.gz PTQDIJWSSNAOPW-ZBFHGGJFSA-N 2 1 276.428 2.337 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000420376737 395362910 /nfs/dbraw/zinc/36/29/10/395362910.db2.gz RCOTVJPSKLGBRS-AWEZNQCLSA-N 2 1 272.396 2.110 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420382529 395365965 /nfs/dbraw/zinc/36/59/65/395365965.db2.gz PXMHJLCMTWPWEW-HUUCEWRRSA-N 2 1 292.423 2.381 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420382524 395366421 /nfs/dbraw/zinc/36/64/21/395366421.db2.gz PXMHJLCMTWPWEW-CABCVRRESA-N 2 1 292.423 2.381 20 0 CEADMP C[C@@H]1CC[N@@H+](CCc2nc3ccccc3n2C)C[C@H]1C[NH3+] ZINC000420418090 395375877 /nfs/dbraw/zinc/37/58/77/395375877.db2.gz WVEKUWDOTMOTFD-ZIAGYGMSSA-N 2 1 286.423 2.033 20 0 CEADMP COC(=O)C1CCC([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000192438835 395383117 /nfs/dbraw/zinc/38/31/17/395383117.db2.gz LHGYFKBWVMVYLI-GPANFISMSA-N 2 1 296.455 2.428 20 0 CEADMP C[NH2+]CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000435879673 395394378 /nfs/dbraw/zinc/39/43/78/395394378.db2.gz DUPRJRKSJNUUAC-INIZCTEOSA-N 2 1 262.397 2.277 20 0 CEADMP C[NH2+]CCC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000435879673 395394381 /nfs/dbraw/zinc/39/43/81/395394381.db2.gz DUPRJRKSJNUUAC-INIZCTEOSA-N 2 1 262.397 2.277 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000420325436 395327962 /nfs/dbraw/zinc/32/79/62/395327962.db2.gz WNOORZKNUQRUEM-JYJNAYRXSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000420325436 395327966 /nfs/dbraw/zinc/32/79/66/395327966.db2.gz WNOORZKNUQRUEM-JYJNAYRXSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000420325436 395327970 /nfs/dbraw/zinc/32/79/70/395327970.db2.gz WNOORZKNUQRUEM-JYJNAYRXSA-N 3 1 267.461 2.181 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000420325436 395327973 /nfs/dbraw/zinc/32/79/73/395327973.db2.gz WNOORZKNUQRUEM-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000420325436 395327977 /nfs/dbraw/zinc/32/79/77/395327977.db2.gz WNOORZKNUQRUEM-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP c1ccc2c(c1)CCC[C@H]2[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420326498 395330020 /nfs/dbraw/zinc/33/00/20/395330020.db2.gz XMMURHVUQMPFFX-LJQANCHMSA-N 2 1 299.462 2.434 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345292 395337306 /nfs/dbraw/zinc/33/73/06/395337306.db2.gz VSUFFNYIORPJAK-JYJNAYRXSA-N 2 1 295.471 2.003 20 0 CEADMP c1ccc(C[C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000420362068 395348119 /nfs/dbraw/zinc/34/81/19/395348119.db2.gz NYKGKADYNALNAV-SFHVURJKSA-N 2 1 288.435 2.320 20 0 CEADMP COC(=O)CC1(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000440767097 395352666 /nfs/dbraw/zinc/35/26/66/395352666.db2.gz RFPOKDOJKHSNQH-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC1(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000440767097 395352669 /nfs/dbraw/zinc/35/26/69/395352669.db2.gz RFPOKDOJKHSNQH-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC1(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000440767097 395352671 /nfs/dbraw/zinc/35/26/71/395352671.db2.gz RFPOKDOJKHSNQH-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000565530338 395474047 /nfs/dbraw/zinc/47/40/47/395474047.db2.gz CVXXVCVWZVVWSL-AWEZNQCLSA-N 2 1 272.396 2.383 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000565530338 395474052 /nfs/dbraw/zinc/47/40/52/395474052.db2.gz CVXXVCVWZVVWSL-AWEZNQCLSA-N 2 1 272.396 2.383 20 0 CEADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000444014688 395411449 /nfs/dbraw/zinc/41/14/49/395411449.db2.gz YFEIFUVJEAMYQQ-HUUCEWRRSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCC(C)(C)C2)C[N@H+]1C1CC1 ZINC000444014688 395411453 /nfs/dbraw/zinc/41/14/53/395411453.db2.gz YFEIFUVJEAMYQQ-HUUCEWRRSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@@H](NCC[N@@H+]2CCCC(C)(C)C2)C[NH+]1C1CC1 ZINC000444014688 395411455 /nfs/dbraw/zinc/41/14/55/395411455.db2.gz YFEIFUVJEAMYQQ-HUUCEWRRSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@@H](NCC[N@H+]2CCCC(C)(C)C2)C[NH+]1C1CC1 ZINC000444014688 395411459 /nfs/dbraw/zinc/41/14/59/395411459.db2.gz YFEIFUVJEAMYQQ-HUUCEWRRSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNc1ccnc2ccncc21 ZINC000444083070 395412774 /nfs/dbraw/zinc/41/27/74/395412774.db2.gz IOHXIZBVNAOTCR-ZDUSSCGKSA-N 2 1 270.380 2.338 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(CCC[NH+]2CCCCC2)C[C@H]1C ZINC000444610758 395439781 /nfs/dbraw/zinc/43/97/81/395439781.db2.gz QVVITDIQEKBHKZ-HZPDHXFCSA-N 2 1 267.461 2.277 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000567870512 395537847 /nfs/dbraw/zinc/53/78/47/395537847.db2.gz FRNOKFDALGKWET-MNOVXSKESA-N 2 1 276.409 2.421 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000565645227 395478952 /nfs/dbraw/zinc/47/89/52/395478952.db2.gz NGZNPYOTHRCDHQ-UKRRQHHQSA-N 3 1 299.422 2.053 20 0 CEADMP Cc1cccc2oc(CC[NH2+][C@H]3CCC[C@@H]3[NH3+])nc21 ZINC000565651944 395479507 /nfs/dbraw/zinc/47/95/07/395479507.db2.gz VPHIHZWTRLYWBQ-RYUDHWBXSA-N 2 1 259.353 2.148 20 0 CEADMP C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000572951464 395595493 /nfs/dbraw/zinc/59/54/93/395595493.db2.gz WTDRBNJJHLCTEX-MFNRNEDNSA-N 2 1 274.408 2.464 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000573439488 395609160 /nfs/dbraw/zinc/60/91/60/395609160.db2.gz SVLFUNOUFVBRQY-MSOLQXFVSA-N 2 1 288.435 2.225 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000573439488 395609163 /nfs/dbraw/zinc/60/91/63/395609163.db2.gz SVLFUNOUFVBRQY-MSOLQXFVSA-N 2 1 288.435 2.225 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000573681077 395614951 /nfs/dbraw/zinc/61/49/51/395614951.db2.gz PNEOZRAGUCPBLZ-OAHLLOKOSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000573681077 395614952 /nfs/dbraw/zinc/61/49/52/395614952.db2.gz PNEOZRAGUCPBLZ-OAHLLOKOSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000573681077 395614953 /nfs/dbraw/zinc/61/49/53/395614953.db2.gz PNEOZRAGUCPBLZ-OAHLLOKOSA-N 2 1 265.401 2.471 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000568103846 395548526 /nfs/dbraw/zinc/54/85/26/395548526.db2.gz NYBSIUYFHKELLN-HIFRSBDPSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C1CCCCC1 ZINC000568103846 395548528 /nfs/dbraw/zinc/54/85/28/395548528.db2.gz NYBSIUYFHKELLN-HIFRSBDPSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C1CCCCC1 ZINC000568103846 395548530 /nfs/dbraw/zinc/54/85/30/395548530.db2.gz NYBSIUYFHKELLN-HIFRSBDPSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)C1CCCCC1 ZINC000568103846 395548531 /nfs/dbraw/zinc/54/85/31/395548531.db2.gz NYBSIUYFHKELLN-HIFRSBDPSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000568103846 395548533 /nfs/dbraw/zinc/54/85/33/395548533.db2.gz NYBSIUYFHKELLN-HIFRSBDPSA-N 2 1 256.434 2.200 20 0 CEADMP CCC(C)(C)[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000568357909 395555361 /nfs/dbraw/zinc/55/53/61/395555361.db2.gz MAMBGWOQFYPOJI-HNNXBMFYSA-N 2 1 269.477 2.428 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(-n2cncn2)cc1 ZINC000568446148 395560209 /nfs/dbraw/zinc/56/02/09/395560209.db2.gz GFLBDCVLXXRTJW-YOEHRIQHSA-N 2 1 299.422 2.039 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000568446148 395560211 /nfs/dbraw/zinc/56/02/11/395560211.db2.gz GFLBDCVLXXRTJW-YOEHRIQHSA-N 2 1 299.422 2.039 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000568446148 395560213 /nfs/dbraw/zinc/56/02/13/395560213.db2.gz GFLBDCVLXXRTJW-YOEHRIQHSA-N 2 1 299.422 2.039 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCc2ccncc2C)CC1 ZINC000568756283 395569829 /nfs/dbraw/zinc/56/98/29/395569829.db2.gz NZXIPVNNDDZJOL-UHFFFAOYSA-N 2 1 261.413 2.349 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCc2ccncc2C)CC1 ZINC000568756283 395569832 /nfs/dbraw/zinc/56/98/32/395569832.db2.gz NZXIPVNNDDZJOL-UHFFFAOYSA-N 2 1 261.413 2.349 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)CC2CCCC2)CCCO1 ZINC000569214953 395575036 /nfs/dbraw/zinc/57/50/36/395575036.db2.gz ZSOGNIJGZYEIIB-NVXWUHKLSA-N 2 1 298.471 2.018 20 0 CEADMP c1[nH]nc(-c2ccccc2)c1C[NH2+]CCC[NH+]1CCC1 ZINC000573987522 395624009 /nfs/dbraw/zinc/62/40/09/395624009.db2.gz ZMQYYFAFHDMVRO-UHFFFAOYSA-N 2 1 270.380 2.262 20 0 CEADMP C[N@H+]1CCC[C@@H](CCNc2ncnc3[nH]ccc32)C1 ZINC000574020108 395624425 /nfs/dbraw/zinc/62/44/25/395624425.db2.gz HNHAOFDHHTVHJW-NSHDSACASA-N 2 1 259.357 2.053 20 0 CEADMP C[N@@H+]1CCC[C@@H](CCNc2[nH+]cnc3[nH]ccc32)C1 ZINC000574020108 395624427 /nfs/dbraw/zinc/62/44/27/395624427.db2.gz HNHAOFDHHTVHJW-NSHDSACASA-N 2 1 259.357 2.053 20 0 CEADMP C[N@H+]1CCC[C@@H](CCNc2[nH+]cnc3[nH]ccc32)C1 ZINC000574020108 395624428 /nfs/dbraw/zinc/62/44/28/395624428.db2.gz HNHAOFDHHTVHJW-NSHDSACASA-N 2 1 259.357 2.053 20 0 CEADMP Cc1c(CN(C)CC[C@@H]2CCCC[N@H+]2C)cnn1C ZINC000575010202 395643838 /nfs/dbraw/zinc/64/38/38/395643838.db2.gz HFRBRLOEUHJYGJ-HNNXBMFYSA-N 2 1 264.417 2.035 20 0 CEADMP c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CO2 ZINC000493907889 395677983 /nfs/dbraw/zinc/67/79/83/395677983.db2.gz PXUSFJPQQVHDNP-ZBFHGGJFSA-N 2 1 286.419 2.454 20 0 CEADMP COCC(C)(C)C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000494008983 395678663 /nfs/dbraw/zinc/67/86/63/395678663.db2.gz YYSVIUMOXBDPNA-GASCZTMLSA-N 2 1 286.460 2.138 20 0 CEADMP CCC[C@H](C[N@@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647492896 395721106 /nfs/dbraw/zinc/72/11/06/395721106.db2.gz GXDHVSMHCNFCAU-GOSISDBHSA-N 2 1 289.467 2.407 20 0 CEADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(-c2ccccc2)o1 ZINC000647492633 395721321 /nfs/dbraw/zinc/72/13/21/395721321.db2.gz OSMQRPPBVLGGPO-UHFFFAOYSA-N 2 1 299.418 2.284 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cnc3c(C)cccn23)CC[C@H]1[NH3+] ZINC000647498297 395722470 /nfs/dbraw/zinc/72/24/70/395722470.db2.gz DPAYJKLNWWVOTP-UKRRQHHQSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cnc3c(C)cccn23)CC[C@H]1[NH3+] ZINC000647498297 395722472 /nfs/dbraw/zinc/72/24/72/395722472.db2.gz DPAYJKLNWWVOTP-UKRRQHHQSA-N 2 1 272.396 2.202 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000647534864 395729066 /nfs/dbraw/zinc/72/90/66/395729066.db2.gz YFLQAWFYKDTGRQ-QZWWFDLISA-N 2 1 256.393 2.474 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000647534864 395729068 /nfs/dbraw/zinc/72/90/68/395729068.db2.gz YFLQAWFYKDTGRQ-QZWWFDLISA-N 2 1 256.393 2.474 20 0 CEADMP Cc1ccccc1OCCC[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000647549148 395732932 /nfs/dbraw/zinc/73/29/32/395732932.db2.gz KDPXIQANSLIUHT-HIFRSBDPSA-N 2 1 262.397 2.352 20 0 CEADMP COc1cccc(-c2n[nH]cc2C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000647544862 395731572 /nfs/dbraw/zinc/73/15/72/395731572.db2.gz QTVHAIZIPNYIKB-UHFFFAOYSA-N 2 1 286.379 2.007 20 0 CEADMP COc1cccc(-c2n[nH]cc2C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000647544862 395731575 /nfs/dbraw/zinc/73/15/75/395731575.db2.gz QTVHAIZIPNYIKB-UHFFFAOYSA-N 2 1 286.379 2.007 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)C1 ZINC000647550419 395733594 /nfs/dbraw/zinc/73/35/94/395733594.db2.gz PWSKDUABBCLJRO-GOEBONIOSA-N 2 1 284.407 2.002 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCC[C@@H]2CC)CC[C@H]1[NH3+] ZINC000647940302 395780928 /nfs/dbraw/zinc/78/09/28/395780928.db2.gz SNORTXGQKMFVTB-LVQVYYBASA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCC[C@@H]2CC)CC[C@H]1[NH3+] ZINC000647940302 395780931 /nfs/dbraw/zinc/78/09/31/395780931.db2.gz SNORTXGQKMFVTB-LVQVYYBASA-N 2 1 295.471 2.225 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1 ZINC000647956091 395784059 /nfs/dbraw/zinc/78/40/59/395784059.db2.gz ZAOZMIXYSQEZBH-ROUUACIJSA-N 2 1 290.451 2.395 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000647956091 395784061 /nfs/dbraw/zinc/78/40/61/395784061.db2.gz ZAOZMIXYSQEZBH-ROUUACIJSA-N 2 1 290.451 2.395 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000647956091 395784063 /nfs/dbraw/zinc/78/40/63/395784063.db2.gz ZAOZMIXYSQEZBH-ROUUACIJSA-N 2 1 290.451 2.395 20 0 CEADMP CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835808 395761851 /nfs/dbraw/zinc/76/18/51/395761851.db2.gz PEUISMGFEWMKMZ-INIZCTEOSA-N 2 1 297.393 2.253 20 0 CEADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCc2c1cccc2Cl ZINC000647836179 395761860 /nfs/dbraw/zinc/76/18/60/395761860.db2.gz IFXIYJGSIMXYFU-MRXNPFEDSA-N 2 1 293.842 2.164 20 0 CEADMP C[N@@H+](CCC[NH3+])CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000647848083 395763598 /nfs/dbraw/zinc/76/35/98/395763598.db2.gz CSNAADIVDJDOHO-UHFFFAOYSA-N 2 1 294.786 2.213 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647859059 395764647 /nfs/dbraw/zinc/76/46/47/395764647.db2.gz WKZLNVOJXGYXGI-HNNXBMFYSA-N 2 1 255.450 2.071 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000647875049 395767270 /nfs/dbraw/zinc/76/72/70/395767270.db2.gz SWWSDBSAOHXIPQ-OAHLLOKOSA-N 2 1 266.429 2.267 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000647882104 395768220 /nfs/dbraw/zinc/76/82/20/395768220.db2.gz KUTVZZCFPJGHFL-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647886687 395769030 /nfs/dbraw/zinc/76/90/30/395769030.db2.gz KGZGMXRPVNYPIM-HIFRSBDPSA-N 2 1 290.382 2.330 20 0 CEADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647886687 395769031 /nfs/dbraw/zinc/76/90/31/395769031.db2.gz KGZGMXRPVNYPIM-HIFRSBDPSA-N 2 1 290.382 2.330 20 0 CEADMP COCCCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904166 395770677 /nfs/dbraw/zinc/77/06/77/395770677.db2.gz XXZFTTCELSHKDY-LSDHHAIUSA-N 2 1 254.418 2.267 20 0 CEADMP CC(C)n1ncnc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978719 395794153 /nfs/dbraw/zinc/79/41/53/395794153.db2.gz XDCDWRAPTDOQCA-GJZGRUSLSA-N 2 1 291.443 2.071 20 0 CEADMP CC(C)n1ncnc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978719 395794155 /nfs/dbraw/zinc/79/41/55/395794155.db2.gz XDCDWRAPTDOQCA-GJZGRUSLSA-N 2 1 291.443 2.071 20 0 CEADMP CCC[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647988818 395796845 /nfs/dbraw/zinc/79/68/45/395796845.db2.gz SENMVPMSWIOPGL-OAHLLOKOSA-N 2 1 254.418 2.267 20 0 CEADMP c1nc([C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000647991621 395797689 /nfs/dbraw/zinc/79/76/89/395797689.db2.gz TWZWFRKZOCGENQ-GJZGRUSLSA-N 2 1 288.439 2.008 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2C)CCO1 ZINC000648429294 395907318 /nfs/dbraw/zinc/90/73/18/395907318.db2.gz RLTMJIKBZQCPJV-KGLIPLIRSA-N 2 1 251.374 2.129 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH+](CC)CC ZINC000648714077 395964988 /nfs/dbraw/zinc/96/49/88/395964988.db2.gz RPCNFPMEQBEDMZ-AWEZNQCLSA-N 2 1 294.443 2.245 20 0 CEADMP CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1CC[N@@H+](C)C1 ZINC000649000446 396039685 /nfs/dbraw/zinc/03/96/85/396039685.db2.gz VYMODXCJEIKEPV-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP CCCN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](C)C1 ZINC000649227819 396095732 /nfs/dbraw/zinc/09/57/32/396095732.db2.gz OSPUCMDXORKXIT-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000649227819 396095733 /nfs/dbraw/zinc/09/57/33/396095733.db2.gz OSPUCMDXORKXIT-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCN(C(=O)CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000649227819 396095735 /nfs/dbraw/zinc/09/57/35/396095735.db2.gz OSPUCMDXORKXIT-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCC[NH+](C)C1 ZINC000649411627 396146307 /nfs/dbraw/zinc/14/63/07/396146307.db2.gz MAFFDBVXFIMODE-MRXNPFEDSA-N 3 1 267.461 2.040 20 0 CEADMP C[NH+](CCCC1CC[NH2+]CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000649411627 396146309 /nfs/dbraw/zinc/14/63/09/396146309.db2.gz MAFFDBVXFIMODE-MRXNPFEDSA-N 3 1 267.461 2.040 20 0 CEADMP C[NH+](CCCC1CC[NH2+]CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000649411627 396146311 /nfs/dbraw/zinc/14/63/11/396146311.db2.gz MAFFDBVXFIMODE-MRXNPFEDSA-N 3 1 267.461 2.040 20 0 CEADMP CN1CCC[C@H](C[N@H+](C)CCCC2CC[NH2+]CC2)C1 ZINC000649411627 396146314 /nfs/dbraw/zinc/14/63/14/396146314.db2.gz MAFFDBVXFIMODE-MRXNPFEDSA-N 2 1 267.461 2.040 20 0 CEADMP CN1CCC[C@H](C[N@@H+](C)CCCC2CC[NH2+]CC2)C1 ZINC000649411627 396146315 /nfs/dbraw/zinc/14/63/15/396146315.db2.gz MAFFDBVXFIMODE-MRXNPFEDSA-N 2 1 267.461 2.040 20 0 CEADMP CN(Cc1ccccc1)[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000649413756 396147004 /nfs/dbraw/zinc/14/70/04/396147004.db2.gz BIZVVUYDZDFUSU-AEFFLSMTSA-N 2 1 287.451 2.192 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000649414310 396148000 /nfs/dbraw/zinc/14/80/00/396148000.db2.gz SHTVIVLBUODNCK-GOEBONIOSA-N 2 1 276.428 2.255 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCCC2CC[NH2+]CC2)CCN1C ZINC000649413961 396148667 /nfs/dbraw/zinc/14/86/67/396148667.db2.gz ZJJYFGQKZQEDMO-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000649413961 396148670 /nfs/dbraw/zinc/14/86/70/396148670.db2.gz ZJJYFGQKZQEDMO-GDBMZVCRSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCC2CC[NH2+]CC2)CC[N@H+]1C ZINC000649413961 396148672 /nfs/dbraw/zinc/14/86/72/396148672.db2.gz ZJJYFGQKZQEDMO-GDBMZVCRSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCCC2CC[NH2+]CC2)CC[NH+]1C ZINC000649413961 396148675 /nfs/dbraw/zinc/14/86/75/396148675.db2.gz ZJJYFGQKZQEDMO-GDBMZVCRSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCCC2CC[NH2+]CC2)CC[NH+]1C ZINC000649413961 396148676 /nfs/dbraw/zinc/14/86/76/396148676.db2.gz ZJJYFGQKZQEDMO-GDBMZVCRSA-N 3 1 267.461 2.181 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000649414069 396148702 /nfs/dbraw/zinc/14/87/02/396148702.db2.gz DMJNTYUEFDZTFE-MRXNPFEDSA-N 2 1 276.428 2.255 20 0 CEADMP CO[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000649766383 396254401 /nfs/dbraw/zinc/25/44/01/396254401.db2.gz LTOLYGAOJOOFCF-RRFJBIMHSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647248507 396449894 /nfs/dbraw/zinc/44/98/94/396449894.db2.gz DKYKSQAIHLILSL-AEFFLSMTSA-N 2 1 298.434 2.462 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647248507 396449898 /nfs/dbraw/zinc/44/98/98/396449898.db2.gz DKYKSQAIHLILSL-AEFFLSMTSA-N 2 1 298.434 2.462 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cnn(C(C)C)c2)CC[C@H]1[NH3+] ZINC000300417705 400328660 /nfs/dbraw/zinc/32/86/60/400328660.db2.gz ZHDGUIGXEFCQIH-UONOGXRCSA-N 2 1 250.390 2.023 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cnn(C(C)C)c2)CC[C@H]1[NH3+] ZINC000300417705 400328665 /nfs/dbraw/zinc/32/86/65/400328665.db2.gz ZHDGUIGXEFCQIH-UONOGXRCSA-N 2 1 250.390 2.023 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCN2CCC(C)CC2)[C@H](C)C1 ZINC000155997065 289186993 /nfs/dbraw/zinc/18/69/93/289186993.db2.gz MLBKCGZQYDVFQT-CVEARBPZSA-N 2 1 267.461 2.038 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000388312983 400531727 /nfs/dbraw/zinc/53/17/27/400531727.db2.gz JRBJZUUGVXJEGN-UHFFFAOYSA-N 2 1 276.302 2.113 20 0 CEADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000388817542 400534273 /nfs/dbraw/zinc/53/42/73/400534273.db2.gz VZFIBEUSZZFMLB-HUUCEWRRSA-N 2 1 264.413 2.347 20 0 CEADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000388817542 400534276 /nfs/dbraw/zinc/53/42/76/400534276.db2.gz VZFIBEUSZZFMLB-HUUCEWRRSA-N 2 1 264.413 2.347 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCCC1(C)C ZINC000394124283 400546893 /nfs/dbraw/zinc/54/68/93/400546893.db2.gz ITANXLGRIGMBRX-ZIAGYGMSSA-N 2 1 256.434 2.246 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650711621 401001028 /nfs/dbraw/zinc/00/10/28/401001028.db2.gz ZOENPCBAEDIZBN-DYVFJYSZSA-N 2 1 292.471 2.494 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cn1 ZINC000650711700 401001357 /nfs/dbraw/zinc/00/13/57/401001357.db2.gz AJHHKHKDHSNSQS-ZBFHGGJFSA-N 2 1 290.455 2.487 20 0 CEADMP CCO[C@@H]1C[N@@H+](C[C@H](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000650714577 401003917 /nfs/dbraw/zinc/00/39/17/401003917.db2.gz PAUKAFTXJHVTJD-DJIMGWMZSA-N 2 1 276.424 2.161 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@H](C)OCC23CCC3)CC[NH2+]1 ZINC000650720534 401010514 /nfs/dbraw/zinc/01/05/14/401010514.db2.gz SGYYZNFLVKSBNC-RDBSUJKOSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000650755504 401032898 /nfs/dbraw/zinc/03/28/98/401032898.db2.gz GQKZKNDRFVYFDA-IUODEOHRSA-N 2 1 270.380 2.398 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000650756107 401033134 /nfs/dbraw/zinc/03/31/34/401033134.db2.gz USHOIGFZQWKLNM-HZPDHXFCSA-N 3 1 261.413 2.156 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000650758331 401034189 /nfs/dbraw/zinc/03/41/89/401034189.db2.gz NIHHDBOXHRWQGB-BBRMVZONSA-N 2 1 273.424 2.121 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000650758331 401034194 /nfs/dbraw/zinc/03/41/94/401034194.db2.gz NIHHDBOXHRWQGB-BBRMVZONSA-N 2 1 273.424 2.121 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc3cnccc3o2)C1 ZINC000651639513 401365432 /nfs/dbraw/zinc/36/54/32/401365432.db2.gz DEHLONSWOIZTQB-GFCCVEGCSA-N 2 1 259.353 2.211 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3cnccc3o2)C1 ZINC000651639513 401365434 /nfs/dbraw/zinc/36/54/34/401365434.db2.gz DEHLONSWOIZTQB-GFCCVEGCSA-N 2 1 259.353 2.211 20 0 CEADMP C[C@H]1CCCCC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000651685795 401371225 /nfs/dbraw/zinc/37/12/25/401371225.db2.gz DZBRUXPZCUFHIC-GOEBONIOSA-N 2 1 268.445 2.392 20 0 CEADMP COC[C@@H](CC(C)(C)C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000651794347 401392972 /nfs/dbraw/zinc/39/29/72/401392972.db2.gz VODCYFFUPLEILF-OAHLLOKOSA-N 2 1 299.503 2.053 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cnnn1-c1ccccc1)C1CC1 ZINC000651828027 401400663 /nfs/dbraw/zinc/40/06/63/401400663.db2.gz UAEYFIDYDQBWGD-UHFFFAOYSA-N 2 1 299.422 2.231 20 0 CEADMP C[C@H](COCC1CC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651982761 401427599 /nfs/dbraw/zinc/42/75/99/401427599.db2.gz HRYIMFDTGNUNRG-VHDGCEQUSA-N 2 1 252.402 2.018 20 0 CEADMP COC1([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)CCOCC1 ZINC000652222534 401467017 /nfs/dbraw/zinc/46/70/17/401467017.db2.gz QUPAZICRQIKPSY-OAHLLOKOSA-N 2 1 286.460 2.138 20 0 CEADMP COCC(C)(C)C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000349199048 292194109 /nfs/dbraw/zinc/19/41/09/292194109.db2.gz XRTFUIFLTDIHLH-HNNXBMFYSA-N 2 1 268.445 2.323 20 0 CEADMP CC(C)OCCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348952 401491442 /nfs/dbraw/zinc/49/14/42/401491442.db2.gz WTHIFLNJZZWXFJ-JYJNAYRXSA-N 2 1 284.444 2.020 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccn(C)c2)[C@H](C)C1 ZINC000158498796 289235044 /nfs/dbraw/zinc/23/50/44/289235044.db2.gz MCLXDJUKEDZLFM-NVXWUHKLSA-N 2 1 293.455 2.252 20 0 CEADMP C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)OC1CCCCCC1 ZINC000360567107 155327205 /nfs/dbraw/zinc/32/72/05/155327205.db2.gz CTJXQHDAHFPNGJ-MRXNPFEDSA-N 2 1 266.429 2.411 20 0 CEADMP CCC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000190251982 153123208 /nfs/dbraw/zinc/12/32/08/153123208.db2.gz IMYODHHLUFYGMC-AWEZNQCLSA-N 2 1 252.402 2.163 20 0 CEADMP CCC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000190251982 153123212 /nfs/dbraw/zinc/12/32/12/153123212.db2.gz IMYODHHLUFYGMC-AWEZNQCLSA-N 2 1 252.402 2.163 20 0 CEADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]CC3CC3)C2)cc1 ZINC000192357024 153206043 /nfs/dbraw/zinc/20/60/43/153206043.db2.gz BPYLEUVKLDTSDX-KRWDZBQOSA-N 2 1 274.408 2.277 20 0 CEADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]CC3CC3)C2)cc1 ZINC000192357024 153206047 /nfs/dbraw/zinc/20/60/47/153206047.db2.gz BPYLEUVKLDTSDX-KRWDZBQOSA-N 2 1 274.408 2.277 20 0 CEADMP Cc1cccc(C)c1OCC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193630319 153234146 /nfs/dbraw/zinc/23/41/46/153234146.db2.gz BNNNBEVTKBPNNF-IYBDPMFKSA-N 2 1 274.408 2.176 20 0 CEADMP Cc1cccc(C)c1OCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193630319 153234150 /nfs/dbraw/zinc/23/41/50/153234150.db2.gz BNNNBEVTKBPNNF-IYBDPMFKSA-N 2 1 274.408 2.176 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193630319 153234154 /nfs/dbraw/zinc/23/41/54/153234154.db2.gz BNNNBEVTKBPNNF-IYBDPMFKSA-N 2 1 274.408 2.176 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193630319 153234160 /nfs/dbraw/zinc/23/41/60/153234160.db2.gz BNNNBEVTKBPNNF-IYBDPMFKSA-N 2 1 274.408 2.176 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194025995 153244306 /nfs/dbraw/zinc/24/43/06/153244306.db2.gz KFUBVWQCGHWZGM-DMRZNYOFSA-N 2 1 289.423 2.375 20 0 CEADMP CCn1cc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000224112347 153323609 /nfs/dbraw/zinc/32/36/09/153323609.db2.gz TUQNFWNTKZOKNO-OBJOEFQTSA-N 2 1 250.390 2.036 20 0 CEADMP CCn1cc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000224112347 153323612 /nfs/dbraw/zinc/32/36/12/153323612.db2.gz TUQNFWNTKZOKNO-OBJOEFQTSA-N 2 1 250.390 2.036 20 0 CEADMP CCCn1cc(C[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000227282215 153341365 /nfs/dbraw/zinc/34/13/65/153341365.db2.gz OOGCMEMNJSSTDV-UHFFFAOYSA-N 2 1 264.417 2.259 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000336409650 154252355 /nfs/dbraw/zinc/25/23/55/154252355.db2.gz GJRPJZPTVNPWNG-GXTWGEPZSA-N 2 1 285.391 2.500 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000344008820 154264302 /nfs/dbraw/zinc/26/43/02/154264302.db2.gz ZLQZLYXCVMDFHO-KKUMJFAQSA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344008820 154264304 /nfs/dbraw/zinc/26/43/04/154264304.db2.gz ZLQZLYXCVMDFHO-KKUMJFAQSA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344008820 154264306 /nfs/dbraw/zinc/26/43/06/154264306.db2.gz ZLQZLYXCVMDFHO-KKUMJFAQSA-N 2 1 255.450 2.179 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000351858351 154318212 /nfs/dbraw/zinc/31/82/12/154318212.db2.gz YSBCBNRLPNUGDM-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000351858351 154318219 /nfs/dbraw/zinc/31/82/19/154318219.db2.gz YSBCBNRLPNUGDM-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000357080405 154373881 /nfs/dbraw/zinc/37/38/81/154373881.db2.gz MCNZHZSMXRQYRI-LBPRGKRZSA-N 2 1 270.804 2.178 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000357083404 154377571 /nfs/dbraw/zinc/37/75/71/154377571.db2.gz YQYPAWXMKAQVBJ-AWEZNQCLSA-N 2 1 268.788 2.452 20 0 CEADMP COCCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000090536959 292308249 /nfs/dbraw/zinc/30/82/49/292308249.db2.gz KLLGZJNJHDGOKH-HZSPNIEDSA-N 2 1 254.418 2.121 20 0 CEADMP CC1(C)Cc2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2O1 ZINC000359458060 155020737 /nfs/dbraw/zinc/02/07/37/155020737.db2.gz KQEGRQDGVGAYSS-GASCZTMLSA-N 2 1 272.392 2.051 20 0 CEADMP CC1(C)Cc2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2O1 ZINC000359458060 155020744 /nfs/dbraw/zinc/02/07/44/155020744.db2.gz KQEGRQDGVGAYSS-GASCZTMLSA-N 2 1 272.392 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000359524560 155045368 /nfs/dbraw/zinc/04/53/68/155045368.db2.gz DXHVFRGESAQCPW-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)OCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363561154 156028959 /nfs/dbraw/zinc/02/89/59/156028959.db2.gz WBGGSLJUOANBMO-OWCLPIDISA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)OCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363561154 156028964 /nfs/dbraw/zinc/02/89/64/156028964.db2.gz WBGGSLJUOANBMO-OWCLPIDISA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)OCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363561154 156028967 /nfs/dbraw/zinc/02/89/67/156028967.db2.gz WBGGSLJUOANBMO-OWCLPIDISA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)CCOCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363559605 156029869 /nfs/dbraw/zinc/02/98/69/156029869.db2.gz GICMQGHPKBYUTH-BRWVUGGUSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)CCOCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363559605 156029873 /nfs/dbraw/zinc/02/98/73/156029873.db2.gz GICMQGHPKBYUTH-BRWVUGGUSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)CCOCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363559605 156029878 /nfs/dbraw/zinc/02/98/78/156029878.db2.gz GICMQGHPKBYUTH-BRWVUGGUSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000365736251 156073607 /nfs/dbraw/zinc/07/36/07/156073607.db2.gz NKKPUJNXOALXJE-MLQJFRMTSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H](F)CC[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000367153511 156140940 /nfs/dbraw/zinc/14/09/40/156140940.db2.gz ZQNVHNUEXUEQOD-CYBMUJFWSA-N 2 1 272.408 2.310 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@@H]1CCOC1)CC2)C1CC1 ZINC000367311798 156165095 /nfs/dbraw/zinc/16/50/95/156165095.db2.gz ZWTXGGDEJRCGMM-GJZGRUSLSA-N 2 1 278.440 2.219 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000367467973 156192430 /nfs/dbraw/zinc/19/24/30/156192430.db2.gz ZSZHEOODNXCTDA-YCPHGPKFSA-N 2 1 287.407 2.012 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000367467973 156192435 /nfs/dbraw/zinc/19/24/35/156192435.db2.gz ZSZHEOODNXCTDA-YCPHGPKFSA-N 2 1 287.407 2.012 20 0 CEADMP Cc1ccc(O)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000367467973 156192437 /nfs/dbraw/zinc/19/24/37/156192437.db2.gz ZSZHEOODNXCTDA-YCPHGPKFSA-N 2 1 287.407 2.012 20 0 CEADMP Cc1ccc(O)c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000367467973 156192442 /nfs/dbraw/zinc/19/24/42/156192442.db2.gz ZSZHEOODNXCTDA-YCPHGPKFSA-N 2 1 287.407 2.012 20 0 CEADMP C[NH+](C)CC(C)(C)CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367601259 156213637 /nfs/dbraw/zinc/21/36/37/156213637.db2.gz NFGXPDDDZPHGGX-RRFJBIMHSA-N 2 1 267.461 2.037 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367601259 156213638 /nfs/dbraw/zinc/21/36/38/156213638.db2.gz NFGXPDDDZPHGGX-RRFJBIMHSA-N 3 1 267.461 2.037 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367601259 156213639 /nfs/dbraw/zinc/21/36/39/156213639.db2.gz NFGXPDDDZPHGGX-RRFJBIMHSA-N 3 1 267.461 2.037 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOC2CCOCC2)[C@H]2CCC[C@H]21 ZINC000367598281 156214980 /nfs/dbraw/zinc/21/49/80/156214980.db2.gz QHYHOEXBBAXDLG-IXDOHACOSA-N 2 1 296.455 2.035 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(O)cc2)[C@@H]2CCC[C@@H]21 ZINC000367629920 156218679 /nfs/dbraw/zinc/21/86/79/156218679.db2.gz BWNHODJQYWBRST-ULQDDVLXSA-N 2 1 274.408 2.397 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000367785492 156238651 /nfs/dbraw/zinc/23/86/51/156238651.db2.gz WPKJXHAHUDGXDL-QTXLCTLRSA-N 2 1 297.402 2.412 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000367785492 156238654 /nfs/dbraw/zinc/23/86/54/156238654.db2.gz WPKJXHAHUDGXDL-QTXLCTLRSA-N 2 1 297.402 2.412 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CCCCCn3cccn3)C2)C1 ZINC000367846548 156246627 /nfs/dbraw/zinc/24/66/27/156246627.db2.gz MVXNFGMOIYXIPX-INIZCTEOSA-N 2 1 276.428 2.081 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CCCCCn3cccn3)C2)C1 ZINC000367846548 156246630 /nfs/dbraw/zinc/24/66/30/156246630.db2.gz MVXNFGMOIYXIPX-INIZCTEOSA-N 2 1 276.428 2.081 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCCCn3cccn3)C2)C1 ZINC000367846548 156246632 /nfs/dbraw/zinc/24/66/32/156246632.db2.gz MVXNFGMOIYXIPX-INIZCTEOSA-N 2 1 276.428 2.081 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)no1 ZINC000368125186 156293124 /nfs/dbraw/zinc/29/31/24/156293124.db2.gz KSONPIMIKLHVRV-VXGBXAGGSA-N 2 1 260.341 2.093 20 0 CEADMP Cc1cccnc1C1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000368268780 156312261 /nfs/dbraw/zinc/31/22/61/156312261.db2.gz ZRTOBJCDWDUYEZ-GJZGRUSLSA-N 2 1 273.424 2.494 20 0 CEADMP CCN(C(=O)CC[NH3+])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368453968 156345239 /nfs/dbraw/zinc/34/52/39/156345239.db2.gz NVWOCPMMKIMZDP-ZBFHGGJFSA-N 2 1 289.423 2.019 20 0 CEADMP COCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374880743 157022313 /nfs/dbraw/zinc/02/23/13/157022313.db2.gz MPNCSKHESLCRLU-GDBMZVCRSA-N 2 1 262.397 2.133 20 0 CEADMP COC(C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1)OC ZINC000375446739 157099470 /nfs/dbraw/zinc/09/94/70/157099470.db2.gz FSFJXFXVNRFQMT-NVXWUHKLSA-N 2 1 292.423 2.278 20 0 CEADMP COC(C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1)OC ZINC000375446739 157099472 /nfs/dbraw/zinc/09/94/72/157099472.db2.gz FSFJXFXVNRFQMT-NVXWUHKLSA-N 2 1 292.423 2.278 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000131792666 162298824 /nfs/dbraw/zinc/29/88/24/162298824.db2.gz JMZCMVSGNFKJEV-GJZGRUSLSA-N 2 1 289.423 2.097 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000131792666 162298827 /nfs/dbraw/zinc/29/88/27/162298827.db2.gz JMZCMVSGNFKJEV-GJZGRUSLSA-N 2 1 289.423 2.097 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(CC)c2)C1 ZINC000151121991 162302776 /nfs/dbraw/zinc/30/27/76/162302776.db2.gz YBMCQDBTXUHLHD-KBPBESRZSA-N 2 1 264.417 2.286 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(CC)c2)C1 ZINC000151121991 162302780 /nfs/dbraw/zinc/30/27/80/162302780.db2.gz YBMCQDBTXUHLHD-KBPBESRZSA-N 2 1 264.417 2.286 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000161991749 162331308 /nfs/dbraw/zinc/33/13/08/162331308.db2.gz ITPMJQIFNKNLMN-KRWDZBQOSA-N 2 1 290.455 2.389 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000161991749 162331310 /nfs/dbraw/zinc/33/13/10/162331310.db2.gz ITPMJQIFNKNLMN-KRWDZBQOSA-N 3 1 290.455 2.389 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000161991749 162331314 /nfs/dbraw/zinc/33/13/14/162331314.db2.gz ITPMJQIFNKNLMN-KRWDZBQOSA-N 3 1 290.455 2.389 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccco1 ZINC000268922065 287023026 /nfs/dbraw/zinc/02/30/26/287023026.db2.gz OWUWMALHLZZUKB-KGLIPLIRSA-N 2 1 266.385 2.167 20 0 CEADMP CC(=O)NCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000171502385 165045296 /nfs/dbraw/zinc/04/52/96/165045296.db2.gz LNUQQKMQTGWGLB-KRWDZBQOSA-N 2 1 295.471 2.101 20 0 CEADMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173872330 165088360 /nfs/dbraw/zinc/08/83/60/165088360.db2.gz BJKFBZAAZARLIC-MRXNPFEDSA-N 2 1 290.455 2.345 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173872330 165088361 /nfs/dbraw/zinc/08/83/61/165088361.db2.gz BJKFBZAAZARLIC-MRXNPFEDSA-N 2 1 290.455 2.345 20 0 CEADMP CC(C)CC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174903170 165118892 /nfs/dbraw/zinc/11/88/92/165118892.db2.gz MVJYJILRVVMKAI-INIZCTEOSA-N 2 1 267.461 2.134 20 0 CEADMP CC(C)CC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174903170 165118896 /nfs/dbraw/zinc/11/88/96/165118896.db2.gz MVJYJILRVVMKAI-INIZCTEOSA-N 2 1 267.461 2.134 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(Cc3cscn3)CC[C@@H]21 ZINC000178627960 165253788 /nfs/dbraw/zinc/25/37/88/165253788.db2.gz VYRCKRLPBRRXDU-YPMHNXCESA-N 2 1 251.399 2.059 20 0 CEADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000182093953 165362768 /nfs/dbraw/zinc/36/27/68/165362768.db2.gz VJPYQVQEOTYJFE-ZDUSSCGKSA-N 2 1 259.353 2.468 20 0 CEADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000182093953 165362769 /nfs/dbraw/zinc/36/27/69/165362769.db2.gz VJPYQVQEOTYJFE-ZDUSSCGKSA-N 2 1 259.353 2.468 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000284207905 196003562 /nfs/dbraw/zinc/00/35/62/196003562.db2.gz AGEMQZIBVWNOOS-HOCLYGCPSA-N 2 1 262.397 2.258 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000284231688 196009299 /nfs/dbraw/zinc/00/92/99/196009299.db2.gz UPPFHLDCRPWFHY-INIZCTEOSA-N 2 1 292.423 2.328 20 0 CEADMP Cc1cc(NCC[NH+]2CCOCC2)c2ccccc2[nH+]1 ZINC000006008604 170167987 /nfs/dbraw/zinc/16/79/87/170167987.db2.gz GIDIUKCKJRMUBS-UHFFFAOYSA-N 2 1 271.364 2.287 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@@H](c2ccco2)N(C)C)CC1 ZINC000020122108 171002016 /nfs/dbraw/zinc/00/20/16/171002016.db2.gz UVMATVTWPRQBCA-HNNXBMFYSA-N 2 1 279.428 2.346 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2c(C)nn(C)c2C)CC1 ZINC000020190066 171057101 /nfs/dbraw/zinc/05/71/01/171057101.db2.gz VZKVQYNGEDEUML-UHFFFAOYSA-N 2 1 264.417 2.001 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000158945000 287264762 /nfs/dbraw/zinc/26/47/62/287264762.db2.gz LDHJEQNSINVHRM-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H](C)c1ccco1)N1CC[NH+](C)CC1 ZINC000040770124 174399882 /nfs/dbraw/zinc/39/98/82/174399882.db2.gz YSRSFVVMPFKRIR-HUUCEWRRSA-N 2 1 279.428 2.202 20 0 CEADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc2c1C[NH2+]C2 ZINC000662836223 414766831 /nfs/dbraw/zinc/76/68/31/414766831.db2.gz WYFLQVPYQDHYIK-SJORKVTESA-N 2 1 299.418 2.037 20 0 CEADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)[C@@H]1CCCCO1 ZINC000653875017 414767766 /nfs/dbraw/zinc/76/77/66/414767766.db2.gz NXDSVSPCZMPMJU-KBPBESRZSA-N 2 1 251.374 2.129 20 0 CEADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2)[C@@H]1C[NH3+] ZINC000070177736 414768584 /nfs/dbraw/zinc/76/85/84/414768584.db2.gz XIHKPCJDLRUHIT-DZGCQCFKSA-N 2 1 275.396 2.074 20 0 CEADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)[C@@H]1C[NH3+] ZINC000070177736 414768587 /nfs/dbraw/zinc/76/85/87/414768587.db2.gz XIHKPCJDLRUHIT-DZGCQCFKSA-N 2 1 275.396 2.074 20 0 CEADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)C[NH2+]C2 ZINC000662840240 414770719 /nfs/dbraw/zinc/77/07/19/414770719.db2.gz ZUKPSYDKKJEXDD-IRXDYDNUSA-N 2 1 299.418 2.037 20 0 CEADMP C[C@H](CC[N@@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000071149163 414772244 /nfs/dbraw/zinc/77/22/44/414772244.db2.gz CBYLGWJMCGZEMC-MRXNPFEDSA-N 2 1 275.440 2.017 20 0 CEADMP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404270596 414777399 /nfs/dbraw/zinc/77/73/99/414777399.db2.gz KIJRKPZILSLZJJ-HUUCEWRRSA-N 2 1 283.460 2.084 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404270596 414777404 /nfs/dbraw/zinc/77/74/04/414777404.db2.gz KIJRKPZILSLZJJ-HUUCEWRRSA-N 2 1 283.460 2.084 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000404371161 414780778 /nfs/dbraw/zinc/78/07/78/414780778.db2.gz IYLIKYJDVYCYHJ-MFKMUULPSA-N 2 1 253.415 2.401 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc(COC)c2)CC[C@@H]1[NH3+] ZINC000122264670 414789775 /nfs/dbraw/zinc/78/97/75/414789775.db2.gz JCULCQUJSQLJBT-CVEARBPZSA-N 2 1 262.397 2.392 20 0 CEADMP CC[C@H]1C[N@@H+](CCc2scnc2C)CC[C@@H]1[NH3+] ZINC000122816446 414792419 /nfs/dbraw/zinc/79/24/19/414792419.db2.gz PIRUFVGNKAQTJU-RYUDHWBXSA-N 2 1 253.415 2.053 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)CCO1 ZINC000132076610 414820333 /nfs/dbraw/zinc/82/03/33/414820333.db2.gz WDTHTMGZKAHXAM-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000657323809 414856983 /nfs/dbraw/zinc/85/69/83/414856983.db2.gz DYXQPIKYFFXNLF-BDXSIMOUSA-N 2 1 288.435 2.258 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000657323809 414856986 /nfs/dbraw/zinc/85/69/86/414856986.db2.gz DYXQPIKYFFXNLF-BDXSIMOUSA-N 2 1 288.435 2.258 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC1CCCCC1 ZINC000311158278 414859094 /nfs/dbraw/zinc/85/90/94/414859094.db2.gz OWSNWSQRKITCGF-HNNXBMFYSA-N 2 1 256.434 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CC1CCCCC1 ZINC000311158278 414859097 /nfs/dbraw/zinc/85/90/97/414859097.db2.gz OWSNWSQRKITCGF-HNNXBMFYSA-N 2 1 256.434 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC1CCCCC1 ZINC000311158278 414859100 /nfs/dbraw/zinc/85/91/00/414859100.db2.gz OWSNWSQRKITCGF-HNNXBMFYSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000311655421 414859652 /nfs/dbraw/zinc/85/96/52/414859652.db2.gz DRLOERBBEKDLSK-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000311655421 414859657 /nfs/dbraw/zinc/85/96/57/414859657.db2.gz DRLOERBBEKDLSK-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657324928 414861235 /nfs/dbraw/zinc/86/12/35/414861235.db2.gz IDVWVUNFACMMKN-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP CC[NH+](CC)CCCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660660907 414922367 /nfs/dbraw/zinc/92/23/67/414922367.db2.gz BCOWWJLZSJBYNU-INIZCTEOSA-N 2 1 267.461 2.136 20 0 CEADMP c1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccn1 ZINC000663347755 414923683 /nfs/dbraw/zinc/92/36/83/414923683.db2.gz UPCGCDIYYDJOIT-INIZCTEOSA-N 2 1 259.397 2.293 20 0 CEADMP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccn1 ZINC000663347755 414923684 /nfs/dbraw/zinc/92/36/84/414923684.db2.gz UPCGCDIYYDJOIT-INIZCTEOSA-N 2 1 259.397 2.293 20 0 CEADMP CCc1nc(C)c(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)o1 ZINC000660665717 414927420 /nfs/dbraw/zinc/92/74/20/414927420.db2.gz XJOKWHMQAOAEGX-MRXNPFEDSA-N 2 1 277.412 2.463 20 0 CEADMP c1cc2c(cc[nH+]c2NC[C@H]2CC[N@H+](C3CC3)C2)[nH]1 ZINC000663387212 414939708 /nfs/dbraw/zinc/93/97/08/414939708.db2.gz WPBKXLZRUFVSDN-LLVKDONJSA-N 2 1 256.353 2.459 20 0 CEADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2nc(C)c[nH]2)c1 ZINC000657348217 414876230 /nfs/dbraw/zinc/87/62/30/414876230.db2.gz OHVBOSARDVYMDM-UHFFFAOYSA-N 2 1 272.396 2.460 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc(C)c[nH]2)c1 ZINC000657348217 414876233 /nfs/dbraw/zinc/87/62/33/414876233.db2.gz OHVBOSARDVYMDM-UHFFFAOYSA-N 2 1 272.396 2.460 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657374408 414895625 /nfs/dbraw/zinc/89/56/25/414895625.db2.gz KGUVBOXRKIVMEI-UHFFFAOYSA-N 2 1 288.399 2.078 20 0 CEADMP Clc1ccc2c(c1)C[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)C2 ZINC000663498556 414971418 /nfs/dbraw/zinc/97/14/18/414971418.db2.gz PYEITVPEILNJHO-CUMGRINNSA-N 2 1 262.784 2.149 20 0 CEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000663513197 414978747 /nfs/dbraw/zinc/97/87/47/414978747.db2.gz JPGMXZIUSPDURF-NWDGAFQWSA-N 2 1 260.385 2.082 20 0 CEADMP CCn1nccc1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000663513523 414980256 /nfs/dbraw/zinc/98/02/56/414980256.db2.gz KYPRHZZRUGRYOZ-KBPBESRZSA-N 2 1 264.417 2.303 20 0 CEADMP C[NH2+]C[C@@H](C)[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000663514959 414980290 /nfs/dbraw/zinc/98/02/90/414980290.db2.gz XGPUMJLSLIEXRX-VXGBXAGGSA-N 2 1 268.376 2.210 20 0 CEADMP CC(C)(C)C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657596623 415017360 /nfs/dbraw/zinc/01/73/60/415017360.db2.gz XVFGJSAKOVZVOC-MRXNPFEDSA-N 2 1 276.424 2.389 20 0 CEADMP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466142 414962881 /nfs/dbraw/zinc/96/28/81/414962881.db2.gz ONZAAIRLSKACON-GDBMZVCRSA-N 2 1 288.439 2.119 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663469538 414964952 /nfs/dbraw/zinc/96/49/52/414964952.db2.gz QEGQGXXKUILXAA-KYJSFNMBSA-N 2 1 291.483 2.181 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469538 414964958 /nfs/dbraw/zinc/96/49/58/414964958.db2.gz QEGQGXXKUILXAA-KYJSFNMBSA-N 2 1 291.483 2.181 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469538 414964961 /nfs/dbraw/zinc/96/49/61/414964961.db2.gz QEGQGXXKUILXAA-KYJSFNMBSA-N 2 1 291.483 2.181 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469538 414964964 /nfs/dbraw/zinc/96/49/64/414964964.db2.gz QEGQGXXKUILXAA-KYJSFNMBSA-N 2 1 291.483 2.181 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469538 414964967 /nfs/dbraw/zinc/96/49/67/414964967.db2.gz QEGQGXXKUILXAA-KYJSFNMBSA-N 2 1 291.483 2.181 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000653597297 415049032 /nfs/dbraw/zinc/04/90/32/415049032.db2.gz KDUOHYIGFAALET-HZPDHXFCSA-N 2 1 291.439 2.491 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000653597297 415049039 /nfs/dbraw/zinc/04/90/39/415049039.db2.gz KDUOHYIGFAALET-HZPDHXFCSA-N 2 1 291.439 2.491 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000653662720 415067504 /nfs/dbraw/zinc/06/75/04/415067504.db2.gz PKGWXWDUHFIQMG-CHWSQXEVSA-N 2 1 287.354 2.493 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)CC1 ZINC000657791617 415081883 /nfs/dbraw/zinc/08/18/83/415081883.db2.gz UCVXSYRZPZTXCT-OWCLPIDISA-N 2 1 260.356 2.148 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000657795636 415082925 /nfs/dbraw/zinc/08/29/25/415082925.db2.gz MHYGFUHOQABPMO-RDTXWAMCSA-N 2 1 299.418 2.402 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000657809002 415088683 /nfs/dbraw/zinc/08/86/83/415088683.db2.gz RQDJKKSVKMKBJT-XLNGHYISSA-N 2 1 274.408 2.152 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000657809002 415088688 /nfs/dbraw/zinc/08/86/88/415088688.db2.gz RQDJKKSVKMKBJT-XLNGHYISSA-N 2 1 274.408 2.152 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(c3[nH+]ccc4[nH]ccc43)CC[C@@H]21 ZINC000663722732 415029460 /nfs/dbraw/zinc/02/94/60/415029460.db2.gz SRCWUJIFKWKXMR-DOMZBBRYSA-N 2 1 270.380 2.483 20 0 CEADMP CCCCC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000653570986 415039322 /nfs/dbraw/zinc/03/93/22/415039322.db2.gz NTDHGBLZGCNQSX-GJZGRUSLSA-N 2 1 256.434 2.344 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CCO)c1ccccc1F ZINC000653777539 415101866 /nfs/dbraw/zinc/10/18/66/415101866.db2.gz OSZSHNCLWUPBEF-INIZCTEOSA-N 2 1 291.370 2.205 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000044513470 175188715 /nfs/dbraw/zinc/18/87/15/175188715.db2.gz IMDANHDXWHLMTP-UHFFFAOYSA-N 2 1 288.420 2.376 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2c(C3CC3)cnn2C)[C@@H](C)C1 ZINC000658213576 415258427 /nfs/dbraw/zinc/25/84/27/415258427.db2.gz QZLHQTJMDFPLAU-WFASDCNBSA-N 2 1 276.428 2.117 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(C3CC3)cnn2C)[C@@H](C)C1 ZINC000658213576 415258432 /nfs/dbraw/zinc/25/84/32/415258432.db2.gz QZLHQTJMDFPLAU-WFASDCNBSA-N 2 1 276.428 2.117 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C3CC3)cnn2C)[C@@H](C)C1 ZINC000658213576 415258439 /nfs/dbraw/zinc/25/84/39/415258439.db2.gz QZLHQTJMDFPLAU-WFASDCNBSA-N 2 1 276.428 2.117 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661443234 415269192 /nfs/dbraw/zinc/26/91/92/415269192.db2.gz MYZIIOIMUAKXJY-ZBFHGGJFSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661443234 415269199 /nfs/dbraw/zinc/26/91/99/415269199.db2.gz MYZIIOIMUAKXJY-ZBFHGGJFSA-N 2 1 279.428 2.455 20 0 CEADMP C[C@H](CO)[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000661443163 415270679 /nfs/dbraw/zinc/27/06/79/415270679.db2.gz MCUIOOMNDUCHRX-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(O)cc32)CC1 ZINC000658241905 415272897 /nfs/dbraw/zinc/27/28/97/415272897.db2.gz XOOZIXRDVKRRSO-MRXNPFEDSA-N 2 1 260.381 2.453 20 0 CEADMP CC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658146968 415230738 /nfs/dbraw/zinc/23/07/38/415230738.db2.gz WTPXIAUJOLEDSJ-XJKSGUPXSA-N 2 1 262.397 2.141 20 0 CEADMP CNC(=O)CC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000658304049 415307350 /nfs/dbraw/zinc/30/73/50/415307350.db2.gz DOUHBNOZCGRCKA-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP C(COC1CCCC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655702515 415398494 /nfs/dbraw/zinc/39/84/94/415398494.db2.gz ZSCOUZDQMIBQJX-QGZVFWFLSA-N 2 1 296.455 2.179 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655709131 415401908 /nfs/dbraw/zinc/40/19/08/415401908.db2.gz SEWCYVGFUBGYPR-GXTWGEPZSA-N 2 1 273.384 2.149 20 0 CEADMP CCC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655730477 415418205 /nfs/dbraw/zinc/41/82/05/415418205.db2.gz KCHRAXXWCPZBSY-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000062072112 175661940 /nfs/dbraw/zinc/66/19/40/175661940.db2.gz IXPYWLLPTRVQSG-CQSZACIVSA-N 2 1 290.407 2.295 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(COC)CC2)[C@@H](C)C1 ZINC000655818388 415493871 /nfs/dbraw/zinc/49/38/71/415493871.db2.gz RDYCRXMIOJAAAS-JKSUJKDBSA-N 2 1 298.471 2.140 20 0 CEADMP C(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C[C@H]1CCCCO1 ZINC000655755279 415436653 /nfs/dbraw/zinc/43/66/53/415436653.db2.gz WAAMCGGYAQPWAY-DLBZAZTESA-N 2 1 296.455 2.179 20 0 CEADMP CCOC1CC(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655759936 415439783 /nfs/dbraw/zinc/43/97/83/415439783.db2.gz IJWMVNFWXFDDKX-WIHSUSGWSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1CC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655764566 415444126 /nfs/dbraw/zinc/44/41/26/415444126.db2.gz KWPGZXPEABAXRD-IJEWVQPXSA-N 2 1 266.429 2.266 20 0 CEADMP c1coc([C@@H]2C[C@H]2[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655776270 415456340 /nfs/dbraw/zinc/45/63/40/415456340.db2.gz KFHYQRMDWQLATI-BZUAXINKSA-N 2 1 290.407 2.369 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000664718641 415459438 /nfs/dbraw/zinc/45/94/38/415459438.db2.gz GITYHAAODLBXBD-AWEZNQCLSA-N 2 1 285.476 2.234 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655848456 415516653 /nfs/dbraw/zinc/51/66/53/415516653.db2.gz JAIWNYUJPWCUIN-IRXDYDNUSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCc1noc2ccccc12 ZINC000655941383 415558770 /nfs/dbraw/zinc/55/87/70/415558770.db2.gz SBWBHFZAUYTKAV-HSMVNMDESA-N 2 1 273.380 2.346 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCc1noc2ccccc12 ZINC000655941524 415559205 /nfs/dbraw/zinc/55/92/05/415559205.db2.gz WFKNTOWYDLJODA-AWEZNQCLSA-N 2 1 261.369 2.333 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000665257957 415654010 /nfs/dbraw/zinc/65/40/10/415654010.db2.gz ZWYZRMNHFLVXCX-BASLNEPJSA-N 2 1 292.398 2.428 20 0 CEADMP O[C@H]1CC[N@@H+](C2CC[NH+](CCCc3ccsc3)CC2)C1 ZINC000662153351 415657795 /nfs/dbraw/zinc/65/77/95/415657795.db2.gz QUROJEDAGVSFBH-INIZCTEOSA-N 2 1 294.464 2.212 20 0 CEADMP O[C@H]1CC[N@H+](C2CC[NH+](CCCc3ccsc3)CC2)C1 ZINC000662153351 415657799 /nfs/dbraw/zinc/65/77/99/415657799.db2.gz QUROJEDAGVSFBH-INIZCTEOSA-N 2 1 294.464 2.212 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665267027 415661069 /nfs/dbraw/zinc/66/10/69/415661069.db2.gz ODVKKRMWMANNJQ-IHRRRGAJSA-N 2 1 253.434 2.109 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1CC1CCC1)C1CC1 ZINC000662155945 415661824 /nfs/dbraw/zinc/66/18/24/415661824.db2.gz IXCFQDJVUDKEON-IAGOWNOFSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1CC1CCC1)C1CC1 ZINC000662155945 415661829 /nfs/dbraw/zinc/66/18/29/415661829.db2.gz IXCFQDJVUDKEON-IAGOWNOFSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC1CCC1)C1CC1 ZINC000662155945 415661833 /nfs/dbraw/zinc/66/18/33/415661833.db2.gz IXCFQDJVUDKEON-IAGOWNOFSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@@H]1CC1CCC1)C1CC1 ZINC000662155945 415661839 /nfs/dbraw/zinc/66/18/39/415661839.db2.gz IXCFQDJVUDKEON-IAGOWNOFSA-N 2 1 280.456 2.486 20 0 CEADMP CCC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1 ZINC000665289188 415680501 /nfs/dbraw/zinc/68/05/01/415680501.db2.gz INFQMWGATDQHMA-CQSZACIVSA-N 2 1 286.379 2.272 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@@H]1CCc2ccccc21)C1CC1 ZINC000662197950 415681333 /nfs/dbraw/zinc/68/13/33/415681333.db2.gz XNQCMANVRYJZPQ-RDJZCZTQSA-N 2 1 288.435 2.103 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)C[C@@H]1CCc2ccccc21)C1CC1 ZINC000662197950 415681337 /nfs/dbraw/zinc/68/13/37/415681337.db2.gz XNQCMANVRYJZPQ-RDJZCZTQSA-N 2 1 288.435 2.103 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCc2ccccc21 ZINC000662197950 415681343 /nfs/dbraw/zinc/68/13/43/415681343.db2.gz XNQCMANVRYJZPQ-RDJZCZTQSA-N 2 1 288.435 2.103 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCc2ccccc21 ZINC000662197950 415681351 /nfs/dbraw/zinc/68/13/51/415681351.db2.gz XNQCMANVRYJZPQ-RDJZCZTQSA-N 2 1 288.435 2.103 20 0 CEADMP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCCN1 ZINC000665299429 415689016 /nfs/dbraw/zinc/68/90/16/415689016.db2.gz MSQLUPGXVJSYBF-YOEHRIQHSA-N 2 1 279.472 2.229 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000071145864 176041683 /nfs/dbraw/zinc/04/16/83/176041683.db2.gz BWXODQTXGBDHGV-GFCCVEGCSA-N 2 1 268.401 2.459 20 0 CEADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000071298624 176113160 /nfs/dbraw/zinc/11/31/60/176113160.db2.gz UGGHGZDPIWNHKE-KRWDZBQOSA-N 2 1 274.408 2.012 20 0 CEADMP Oc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662252624 415717179 /nfs/dbraw/zinc/71/71/79/415717179.db2.gz BYZMMUWPMRYVJC-JKSUJKDBSA-N 2 1 288.391 2.050 20 0 CEADMP CC(C)[N@H+](Cc1cccs1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250743 415717319 /nfs/dbraw/zinc/71/73/19/415717319.db2.gz NEPBIXSXZMKFQL-CYBMUJFWSA-N 2 1 280.437 2.480 20 0 CEADMP CC(C)(C)C[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254212 415720107 /nfs/dbraw/zinc/72/01/07/415720107.db2.gz OEWAKVUXNPLNTF-ZIAGYGMSSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)(C)[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258394 415725023 /nfs/dbraw/zinc/72/50/23/415725023.db2.gz ULEAICJNIFYBKF-CHWSQXEVSA-N 2 1 252.402 2.018 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](COC)OC)CC1 ZINC000659845804 415726848 /nfs/dbraw/zinc/72/68/48/415726848.db2.gz BNZPHALMVLBTPX-INIZCTEOSA-N 2 1 286.460 2.092 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]2CN2CCCC2)c2c(c1)C[NH2+]CC2 ZINC000662260133 415727917 /nfs/dbraw/zinc/72/79/17/415727917.db2.gz IIOZXNSAHWYYQM-SFHVURJKSA-N 2 1 299.462 2.393 20 0 CEADMP c1cc(C[N@@H+]2CCC[C@H]2CN2CCCC2)c2c(c1)C[NH2+]CC2 ZINC000662260133 415727921 /nfs/dbraw/zinc/72/79/21/415727921.db2.gz IIOZXNSAHWYYQM-SFHVURJKSA-N 2 1 299.462 2.393 20 0 CEADMP COc1cccc(SCC[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000662263495 415728862 /nfs/dbraw/zinc/72/88/62/415728862.db2.gz BVJAAZOMTMUPPR-CHWSQXEVSA-N 2 1 280.437 2.456 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+])C1CCCC1 ZINC000662235343 415700150 /nfs/dbraw/zinc/70/01/50/415700150.db2.gz QVFCKRSRIOGMJD-BPLDGKMQSA-N 2 1 254.418 2.393 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+])C1CCCC1 ZINC000662235345 415703163 /nfs/dbraw/zinc/70/31/63/415703163.db2.gz QVFCKRSRIOGMJD-VHDGCEQUSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249724 415711384 /nfs/dbraw/zinc/71/13/84/415711384.db2.gz YREJWCKLQRDEPP-WFASDCNBSA-N 2 1 278.371 2.340 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2c(c1)C[NH2+]CC2 ZINC000662275083 415742263 /nfs/dbraw/zinc/74/22/63/415742263.db2.gz RJSGWALCSKSOBQ-NVXWUHKLSA-N 3 1 299.462 2.154 20 0 CEADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662275570 415743257 /nfs/dbraw/zinc/74/32/57/415743257.db2.gz FIIMFYDIKYCGMV-QZTJIDSGSA-N 2 1 299.462 2.086 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662280138 415745784 /nfs/dbraw/zinc/74/57/84/415745784.db2.gz YAVXUDAXDINZIO-KRWDZBQOSA-N 2 1 274.408 2.189 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C)C1CCCCC1 ZINC000662283003 415749128 /nfs/dbraw/zinc/74/91/28/415749128.db2.gz FSLKBPOVEFAUAP-BPLDGKMQSA-N 2 1 254.418 2.393 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CCCCC1 ZINC000662273840 415737410 /nfs/dbraw/zinc/73/74/10/415737410.db2.gz QDJIPNZNCHBUBH-OWCLPIDISA-N 2 1 266.429 2.266 20 0 CEADMP Cc1nocc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662272972 415737869 /nfs/dbraw/zinc/73/78/69/415737869.db2.gz JCIYLQLSGHNJEP-UONOGXRCSA-N 2 1 263.385 2.195 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)co1 ZINC000662272032 415738462 /nfs/dbraw/zinc/73/84/62/415738462.db2.gz BOLVJKDZYDGAIR-ZIAGYGMSSA-N 2 1 263.385 2.195 20 0 CEADMP COCC[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293717 415760462 /nfs/dbraw/zinc/76/04/62/415760462.db2.gz MLRXCHDHIBOUOL-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1nc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c(C)o1 ZINC000659882735 415760506 /nfs/dbraw/zinc/76/05/06/415760506.db2.gz MRALIVKCNLYWHH-CYBMUJFWSA-N 2 1 260.341 2.325 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c(C)o1 ZINC000659882735 415760510 /nfs/dbraw/zinc/76/05/10/415760510.db2.gz MRALIVKCNLYWHH-CYBMUJFWSA-N 2 1 260.341 2.325 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]1CCO ZINC000662302302 415765825 /nfs/dbraw/zinc/76/58/25/415765825.db2.gz MHSNDAHLAJUTKD-RDTXWAMCSA-N 2 1 288.435 2.315 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)C1CCCCC1 ZINC000662284463 415751840 /nfs/dbraw/zinc/75/18/40/415751840.db2.gz YKYOBUDSYUQEOT-NUEKZKHPSA-N 2 1 268.445 2.498 20 0 CEADMP CO[C@@H](C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C1CCC1 ZINC000662284067 415753347 /nfs/dbraw/zinc/75/33/47/415753347.db2.gz SQWVRLYABDNXHW-ZFWWWQNUSA-N 2 1 266.429 2.266 20 0 CEADMP CCc1nocc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000662285257 415753802 /nfs/dbraw/zinc/75/38/02/415753802.db2.gz IIURSAGZGDYDSI-FZMZJTMJSA-N 2 1 251.374 2.186 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000660009849 415847251 /nfs/dbraw/zinc/84/72/51/415847251.db2.gz BVUCKINGKKRQSX-XDNAFOTISA-N 2 1 293.499 2.380 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000660009849 415847257 /nfs/dbraw/zinc/84/72/57/415847257.db2.gz BVUCKINGKKRQSX-XDNAFOTISA-N 2 1 293.499 2.380 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000660009849 415847260 /nfs/dbraw/zinc/84/72/60/415847260.db2.gz BVUCKINGKKRQSX-XDNAFOTISA-N 2 1 293.499 2.380 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCc2ccncc2)CCO1 ZINC000662324719 415780941 /nfs/dbraw/zinc/78/09/41/415780941.db2.gz BNXGVJOKUPPFML-QGZVFWFLSA-N 2 1 291.439 2.057 20 0 CEADMP C(C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3)[C@H]1CCC[NH2+]C1 ZINC000662327101 415785740 /nfs/dbraw/zinc/78/57/40/415785740.db2.gz JEHNOQQRBQHLEZ-ZACQAIPSSA-N 2 1 278.440 2.269 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@](C)(C(F)F)O1 ZINC000662335692 415787200 /nfs/dbraw/zinc/78/72/00/415787200.db2.gz OYBKIRQNJACVCP-YRGRVCCFSA-N 2 1 276.371 2.121 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000659957903 415807279 /nfs/dbraw/zinc/80/72/79/415807279.db2.gz YVIHWGHUNJXDQB-IRXDYDNUSA-N 2 1 298.471 2.111 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000659957903 415807285 /nfs/dbraw/zinc/80/72/85/415807285.db2.gz YVIHWGHUNJXDQB-IRXDYDNUSA-N 2 1 298.471 2.111 20 0 CEADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC000659973494 415817997 /nfs/dbraw/zinc/81/79/97/415817997.db2.gz FQPXNAVGONSERM-ZIAGYGMSSA-N 2 1 288.382 2.074 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC000659973494 415818001 /nfs/dbraw/zinc/81/80/01/415818001.db2.gz FQPXNAVGONSERM-ZIAGYGMSSA-N 2 1 288.382 2.074 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000659973494 415818010 /nfs/dbraw/zinc/81/80/10/415818010.db2.gz FQPXNAVGONSERM-ZIAGYGMSSA-N 2 1 288.382 2.074 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000659973494 415818016 /nfs/dbraw/zinc/81/80/16/415818016.db2.gz FQPXNAVGONSERM-ZIAGYGMSSA-N 2 1 288.382 2.074 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659976080 415819805 /nfs/dbraw/zinc/81/98/05/415819805.db2.gz QBEVFEZJAKUVFP-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(=O)NCC(C)C)C[C@H]1C ZINC000659982987 415827129 /nfs/dbraw/zinc/82/71/29/415827129.db2.gz AZIXUHZBLHVCMB-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC(=O)NCC(C)C)C[C@H]1C ZINC000659982987 415827131 /nfs/dbraw/zinc/82/71/31/415827131.db2.gz AZIXUHZBLHVCMB-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC(=O)NCC(C)C)C[C@H]1C ZINC000659982987 415827133 /nfs/dbraw/zinc/82/71/33/415827133.db2.gz AZIXUHZBLHVCMB-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1COC(C)(C)C1 ZINC000660117974 415888965 /nfs/dbraw/zinc/88/89/65/415888965.db2.gz QWCSAXNMKBGTNZ-ZDUSSCGKSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1COC(C)(C)C1 ZINC000660117974 415888970 /nfs/dbraw/zinc/88/89/70/415888970.db2.gz QWCSAXNMKBGTNZ-ZDUSSCGKSA-N 2 1 251.374 2.081 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000662619864 415907132 /nfs/dbraw/zinc/90/71/32/415907132.db2.gz PYCJDKWKKZCQEW-CABCVRRESA-N 2 1 295.471 2.273 20 0 CEADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782425 415857943 /nfs/dbraw/zinc/85/79/43/415857943.db2.gz GSCNLNHKAZLPNQ-HNNXBMFYSA-N 3 1 267.461 2.086 20 0 CEADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782425 415857947 /nfs/dbraw/zinc/85/79/47/415857947.db2.gz GSCNLNHKAZLPNQ-HNNXBMFYSA-N 3 1 267.461 2.086 20 0 CEADMP CCn1ccnc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785127 415860316 /nfs/dbraw/zinc/86/03/16/415860316.db2.gz JCIYWBFTVIXJIG-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP CCOc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1OC ZINC000656788779 415864315 /nfs/dbraw/zinc/86/43/15/415864315.db2.gz YYWRYKCDRYPUSI-UHFFFAOYSA-N 2 1 278.396 2.455 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nccn1-c1ccccc1 ZINC000566737872 299018919 /nfs/dbraw/zinc/01/89/19/299018919.db2.gz NTEKWEWCROQUSU-STQMWFEESA-N 2 1 258.369 2.088 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nccn1-c1ccccc1 ZINC000566737870 299019028 /nfs/dbraw/zinc/01/90/28/299019028.db2.gz NTEKWEWCROQUSU-OLZOCXBDSA-N 2 1 258.369 2.088 20 0 CEADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000566737251 299019317 /nfs/dbraw/zinc/01/93/17/299019317.db2.gz FVYJQKXTWKCKKZ-TZMCWYRMSA-N 2 1 285.391 2.413 20 0 CEADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000566737251 299019318 /nfs/dbraw/zinc/01/93/18/299019318.db2.gz FVYJQKXTWKCKKZ-TZMCWYRMSA-N 2 1 285.391 2.413 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000313959237 419481958 /nfs/dbraw/zinc/48/19/58/419481958.db2.gz IGFCJIHAHCQZIA-RDJZCZTQSA-N 2 1 287.407 2.206 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000666993867 419504836 /nfs/dbraw/zinc/50/48/36/419504836.db2.gz PNBXPSOXMQNNHY-HNNXBMFYSA-N 2 1 288.439 2.302 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c2c(c1)OCCO2 ZINC000666998184 419508515 /nfs/dbraw/zinc/50/85/15/419508515.db2.gz HACAOJLRPDFTMI-CQSZACIVSA-N 2 1 288.391 2.222 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCc3ccc(O)cc3CC2)CC[NH2+]1 ZINC000666689623 419776979 /nfs/dbraw/zinc/77/69/79/419776979.db2.gz WRQTWETXLMERBV-KBPBESRZSA-N 2 1 274.408 2.181 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000427122204 260553863 /nfs/dbraw/zinc/55/38/63/260553863.db2.gz AQWNFFKEDHIVJM-JKSUJKDBSA-N 2 1 259.397 2.006 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)n1 ZINC000414774105 263043796 /nfs/dbraw/zinc/04/37/96/263043796.db2.gz YEXCDEZSLIRNEG-GASCZTMLSA-N 2 1 289.423 2.138 20 0 CEADMP CC[NH+](CC)CCCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000428108883 264879959 /nfs/dbraw/zinc/87/99/59/264879959.db2.gz CFVCSOBBZVZTSB-UHFFFAOYSA-N 2 1 291.443 2.033 20 0 CEADMP COc1ccc(OCCC[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442791014 265000987 /nfs/dbraw/zinc/00/09/87/265000987.db2.gz MYZYIJVCDLXZIY-KBPBESRZSA-N 2 1 278.396 2.133 20 0 CEADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000040623522 270226682 /nfs/dbraw/zinc/22/66/82/270226682.db2.gz QSAZWXVGSDKIHC-GFCCVEGCSA-N 2 1 253.415 2.271 20 0 CEADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)s1 ZINC000040623522 270226684 /nfs/dbraw/zinc/22/66/84/270226684.db2.gz QSAZWXVGSDKIHC-GFCCVEGCSA-N 2 1 253.415 2.271 20 0 CEADMP Cc1cccc(C)c1OCCC[N@@H+]1CCC[NH2+]CC1 ZINC000041355124 270227411 /nfs/dbraw/zinc/22/74/11/270227411.db2.gz FGUWRVKMQRVSSX-UHFFFAOYSA-N 2 1 262.397 2.368 20 0 CEADMP Cc1cccc(C)c1OCCC[N@H+]1CCC[NH2+]CC1 ZINC000041355124 270227412 /nfs/dbraw/zinc/22/74/12/270227412.db2.gz FGUWRVKMQRVSSX-UHFFFAOYSA-N 2 1 262.397 2.368 20 0 CEADMP CCCCNC(=O)C1CC[NH+](CCC[NH+](CC)CC)CC1 ZINC000191481793 270272885 /nfs/dbraw/zinc/27/28/85/270272885.db2.gz QRPZWTJRLRRFGV-UHFFFAOYSA-N 2 1 297.487 2.347 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccnc2OC)[C@H](C)C1 ZINC000193431032 270284930 /nfs/dbraw/zinc/28/49/30/270284930.db2.gz MDYWMLABVCTIMZ-UKRRQHHQSA-N 2 1 277.412 2.252 20 0 CEADMP COCCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000222327569 270308935 /nfs/dbraw/zinc/30/89/35/270308935.db2.gz KLLGZJNJHDGOKH-MELADBBJSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000226323160 270309964 /nfs/dbraw/zinc/30/99/64/270309964.db2.gz NGEHFRVNRIVFCN-CQSZACIVSA-N 2 1 299.459 2.220 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392212423 270340573 /nfs/dbraw/zinc/34/05/73/270340573.db2.gz KBUOKCRVXLYHDH-GDBMZVCRSA-N 3 1 265.445 2.149 20 0 CEADMP COc1cc(C)nc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000397253593 270352229 /nfs/dbraw/zinc/35/22/29/270352229.db2.gz QCZACQLQXWGNIO-YUTCNCBUSA-N 2 1 277.412 2.204 20 0 CEADMP COc1cc(C)nc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000397253593 270352230 /nfs/dbraw/zinc/35/22/30/270352230.db2.gz QCZACQLQXWGNIO-YUTCNCBUSA-N 2 1 277.412 2.204 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000398011095 270356216 /nfs/dbraw/zinc/35/62/16/270356216.db2.gz CXXGTDNKOKIWQN-BZZMCLGOSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000398011095 270356218 /nfs/dbraw/zinc/35/62/18/270356218.db2.gz CXXGTDNKOKIWQN-BZZMCLGOSA-N 2 1 288.435 2.400 20 0 CEADMP c1cnc2sc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)nc2c1 ZINC000420309114 270512545 /nfs/dbraw/zinc/51/25/45/270512545.db2.gz OGIHIWMPRUBARV-UHFFFAOYSA-N 2 1 288.420 2.267 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccnc1 ZINC000422727671 270743361 /nfs/dbraw/zinc/74/33/61/270743361.db2.gz CZKSSWIHZXQXKQ-CZUORRHYSA-N 2 1 255.365 2.130 20 0 CEADMP Cc1ccc(O[C@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422780400 270764831 /nfs/dbraw/zinc/76/48/31/270764831.db2.gz DFCPOZKGJWAWEK-IJEWVQPXSA-N 2 1 262.397 2.492 20 0 CEADMP Cc1nc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)sc1C ZINC000422888244 270797967 /nfs/dbraw/zinc/79/79/67/270797967.db2.gz CGXZECJOCVACCG-ZYHUDNBSSA-N 2 1 253.415 2.033 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422957046 270807389 /nfs/dbraw/zinc/80/73/89/270807389.db2.gz SCOAFIRTJCXQGH-HEHGZKQESA-N 2 1 262.397 2.356 20 0 CEADMP C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1c[nH+]ccc1N ZINC000423033900 270822403 /nfs/dbraw/zinc/82/24/03/270822403.db2.gz PCQXBFQWQNOSSD-UPJWGTAASA-N 2 1 263.385 2.350 20 0 CEADMP c1cncc(C[NH2+]CCC[NH2+][C@H]2CCC23CCC3)c1 ZINC000423184752 270864405 /nfs/dbraw/zinc/86/44/05/270864405.db2.gz IPNSTHQKGNMKCS-HNNXBMFYSA-N 2 1 259.397 2.484 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423261346 270883472 /nfs/dbraw/zinc/88/34/72/270883472.db2.gz JSURBOOYUZOBMN-ZFWWWQNUSA-N 2 1 283.460 2.131 20 0 CEADMP C[NH+](C)CCC[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000424140055 271023700 /nfs/dbraw/zinc/02/37/00/271023700.db2.gz WCUOFKABBCBTCF-UHFFFAOYSA-N 2 1 272.295 2.049 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C[C@H]2C1 ZINC000424270814 271036909 /nfs/dbraw/zinc/03/69/09/271036909.db2.gz QZPWLKPZTULZLR-NEMWNAMBSA-N 2 1 278.440 2.406 20 0 CEADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000425364038 271159907 /nfs/dbraw/zinc/15/99/07/271159907.db2.gz YNFBOCSYPTWCKQ-KGYLQXTDSA-N 2 1 253.415 2.311 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1(c2ccccc2)CCCC1 ZINC000428217607 271246902 /nfs/dbraw/zinc/24/69/02/271246902.db2.gz SWEFBMNPCMQXPB-RDJZCZTQSA-N 2 1 290.451 2.399 20 0 CEADMP Cc1ccc(CCC[N@H+]2CCC[C@H](CCC(N)=O)C2)cn1 ZINC000428453226 271269355 /nfs/dbraw/zinc/26/93/55/271269355.db2.gz FJQQEJIHHFGEAR-MRXNPFEDSA-N 2 1 289.423 2.300 20 0 CEADMP COC(=O)[C@H]1CC[N@H+](CCCn2cc[nH+]c2C)[C@H]1C(C)C ZINC000429359971 271324822 /nfs/dbraw/zinc/32/48/22/271324822.db2.gz FPAWKEHKBYAEEF-GJZGRUSLSA-N 2 1 293.411 2.101 20 0 CEADMP COC(=O)[C@H]1CC[N@@H+](CCCn2cc[nH+]c2C)[C@H]1C(C)C ZINC000429359971 271324826 /nfs/dbraw/zinc/32/48/26/271324826.db2.gz FPAWKEHKBYAEEF-GJZGRUSLSA-N 2 1 293.411 2.101 20 0 CEADMP Cc1ccoc1C[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000429388214 271326824 /nfs/dbraw/zinc/32/68/24/271326824.db2.gz RESIQJGEHDFVDU-UHFFFAOYSA-N 2 1 293.455 2.436 20 0 CEADMP C[C@@H]([NH3+])c1ccc(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000429498448 271334960 /nfs/dbraw/zinc/33/49/60/271334960.db2.gz QLFLHWKHCBVRBK-HZSPNIEDSA-N 2 1 289.423 2.195 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000430598476 271397542 /nfs/dbraw/zinc/39/75/42/271397542.db2.gz OKITYKICTRXNBU-KEYQJZJPSA-N 2 1 295.471 2.129 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000430598476 271397545 /nfs/dbraw/zinc/39/75/45/271397545.db2.gz OKITYKICTRXNBU-KEYQJZJPSA-N 2 1 295.471 2.129 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000430598133 271398404 /nfs/dbraw/zinc/39/84/04/271398404.db2.gz NVNXCNYTMZVXND-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)NCC1CCCCC1 ZINC000430602684 271399173 /nfs/dbraw/zinc/39/91/73/271399173.db2.gz HSQBVOFPNSRQNN-GOEBONIOSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)NCC1CCCCC1 ZINC000430602684 271399177 /nfs/dbraw/zinc/39/91/77/271399177.db2.gz HSQBVOFPNSRQNN-GOEBONIOSA-N 2 1 295.471 2.275 20 0 CEADMP Brc1cccc2c1C[C@@H]([NH2+][C@H]1CC[NH2+]C1)CC2 ZINC000335057485 273475882 /nfs/dbraw/zinc/47/58/82/273475882.db2.gz HAZYTZDKNJCDRB-RYUDHWBXSA-N 2 1 295.224 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1-n1cccn1 ZINC000358218957 274335920 /nfs/dbraw/zinc/33/59/20/274335920.db2.gz DEEBTWSQTMQURK-GDBMZVCRSA-N 2 1 284.407 2.302 20 0 CEADMP OCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000285611636 275047560 /nfs/dbraw/zinc/04/75/60/275047560.db2.gz KGTJWSMDNJAASQ-RCCFBDPRSA-N 2 1 288.435 2.259 20 0 CEADMP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000186835533 275921428 /nfs/dbraw/zinc/92/14/28/275921428.db2.gz SYIHKSQMMRGEEZ-LSDHHAIUSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C1(C)C ZINC000185190472 275971894 /nfs/dbraw/zinc/97/18/94/275971894.db2.gz PKPBOSPRFRMXLH-ZIAGYGMSSA-N 2 1 254.418 2.262 20 0 CEADMP CCN(C(=O)[C@@H](C)[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000261890340 276062959 /nfs/dbraw/zinc/06/29/59/276062959.db2.gz WEQPAGPCIQENBD-IIAWOOMASA-N 2 1 289.423 2.018 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000182442290 276073412 /nfs/dbraw/zinc/07/34/12/276073412.db2.gz WGWHZYWRDAJPJY-ZWKOTPCHSA-N 2 1 290.451 2.254 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182442290 276073413 /nfs/dbraw/zinc/07/34/13/276073413.db2.gz WGWHZYWRDAJPJY-ZWKOTPCHSA-N 2 1 290.451 2.254 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182442290 276073414 /nfs/dbraw/zinc/07/34/14/276073414.db2.gz WGWHZYWRDAJPJY-ZWKOTPCHSA-N 2 1 290.451 2.254 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@H](C)C2)C1 ZINC000352618063 276106405 /nfs/dbraw/zinc/10/64/05/276106405.db2.gz LOIMDJDNBYROCI-PMPSAXMXSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3O)CC1 ZINC000038098097 276151463 /nfs/dbraw/zinc/15/14/63/276151463.db2.gz AQBYJBOLLJYSAM-OAHLLOKOSA-N 2 1 260.381 2.453 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000311578646 276212729 /nfs/dbraw/zinc/21/27/29/276212729.db2.gz STRCRKVYNSJGLE-GJZGRUSLSA-N 2 1 266.429 2.267 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCC[C@H]2C)C[C@@H]1C ZINC000362182159 276224393 /nfs/dbraw/zinc/22/43/93/276224393.db2.gz BSVPPQDHAHWGQC-PMPSAXMXSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N2CCC[C@H]2C)C[C@@H]1C ZINC000362182159 276224394 /nfs/dbraw/zinc/22/43/94/276224394.db2.gz BSVPPQDHAHWGQC-PMPSAXMXSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N2CCC[C@H]2C)C[C@@H]1C ZINC000362182159 276224396 /nfs/dbraw/zinc/22/43/96/276224396.db2.gz BSVPPQDHAHWGQC-PMPSAXMXSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCCCC3)O2)[C@@H](C)C1 ZINC000245854720 276229193 /nfs/dbraw/zinc/22/91/93/276229193.db2.gz GWDGLCPPAAZIAA-XHSDSOJGSA-N 2 1 296.455 2.382 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCCO2)C1 ZINC000336713074 276247749 /nfs/dbraw/zinc/24/77/49/276247749.db2.gz OVIANKHOZDWJPR-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000336713074 276247751 /nfs/dbraw/zinc/24/77/51/276247751.db2.gz OVIANKHOZDWJPR-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000336713074 276247754 /nfs/dbraw/zinc/24/77/54/276247754.db2.gz OVIANKHOZDWJPR-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCC[C@H]1C ZINC000338347495 276342240 /nfs/dbraw/zinc/34/22/40/276342240.db2.gz ATKMOSNQWOTADO-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCC[C@H]1C ZINC000338347495 276342241 /nfs/dbraw/zinc/34/22/41/276342241.db2.gz ATKMOSNQWOTADO-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1(C)C ZINC000085385190 276345146 /nfs/dbraw/zinc/34/51/46/276345146.db2.gz VKHDYUBBXVXZDU-NWANDNLSSA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCCCCC2)[C@H](C)C1 ZINC000305168989 276395856 /nfs/dbraw/zinc/39/58/56/276395856.db2.gz ZFFYRTOJORARMH-HUUCEWRRSA-N 2 1 268.445 2.392 20 0 CEADMP CC[C@@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1C)[NH+](CC)CC ZINC000266812191 276515474 /nfs/dbraw/zinc/51/54/74/276515474.db2.gz HOSORPKJDDFXTQ-HIFRSBDPSA-N 2 1 294.443 2.064 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCC2(CCCC2)CC1 ZINC000352837857 276795291 /nfs/dbraw/zinc/79/52/91/276795291.db2.gz CMKPBFQDBYYXTD-AWEZNQCLSA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)CC(F)(F)F)CC1 ZINC000358355997 277152355 /nfs/dbraw/zinc/15/23/55/277152355.db2.gz TYAARPUBJGZQMN-NSHDSACASA-N 2 1 282.350 2.152 20 0 CEADMP COC1CCC([N@@H+](C)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000336697504 277193045 /nfs/dbraw/zinc/19/30/45/277193045.db2.gz FRYJLKWFWJIHFS-NFOMZHRRSA-N 2 1 254.418 2.360 20 0 CEADMP COC1CCC([NH+](C)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000336697504 277193047 /nfs/dbraw/zinc/19/30/47/277193047.db2.gz FRYJLKWFWJIHFS-NFOMZHRRSA-N 2 1 254.418 2.360 20 0 CEADMP COC1CCC([NH+](C)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000336697504 277193048 /nfs/dbraw/zinc/19/30/48/277193048.db2.gz FRYJLKWFWJIHFS-NFOMZHRRSA-N 2 1 254.418 2.360 20 0 CEADMP CO[C@H](C)C[NH+]1CCC[C@@]2(CCC[N@H+](C[C@H](C)OC)C2)C1 ZINC000368244200 277324200 /nfs/dbraw/zinc/32/42/00/277324200.db2.gz RJHKTZUNQVVEJZ-IXDOHACOSA-N 2 1 298.471 2.234 20 0 CEADMP CO[C@H](C)C[N@H+]1CCC[C@@]2(CCC[NH+](C[C@H](C)OC)C2)C1 ZINC000368244200 277324201 /nfs/dbraw/zinc/32/42/01/277324201.db2.gz RJHKTZUNQVVEJZ-IXDOHACOSA-N 2 1 298.471 2.234 20 0 CEADMP CO[C@H](C)C[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@H](C)OC)C2)C1 ZINC000368244200 277324202 /nfs/dbraw/zinc/32/42/02/277324202.db2.gz RJHKTZUNQVVEJZ-IXDOHACOSA-N 2 1 298.471 2.234 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000192681684 277943333 /nfs/dbraw/zinc/94/33/33/277943333.db2.gz JCBFAFRMRCAGAG-HZPDHXFCSA-N 2 1 296.455 2.036 20 0 CEADMP CC(C)(C)N1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401028593 278342023 /nfs/dbraw/zinc/34/20/23/278342023.db2.gz ONKWFWILBQUPLN-SQWLQELKSA-N 2 1 279.472 2.227 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000249923834 279100439 /nfs/dbraw/zinc/10/04/39/279100439.db2.gz BMNJCEARGQGGQD-ARFHVFGLSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@H](C1CCCCC1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000352103143 279243063 /nfs/dbraw/zinc/24/30/63/279243063.db2.gz MUWYBONUZXDXFE-CJNGLKHVSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H](C1CCCCC1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000352103143 279243068 /nfs/dbraw/zinc/24/30/68/279243068.db2.gz MUWYBONUZXDXFE-CJNGLKHVSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H](C1CCCCC1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000352103143 279243070 /nfs/dbraw/zinc/24/30/70/279243070.db2.gz MUWYBONUZXDXFE-CJNGLKHVSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H](C1CCCCC1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352103143 279243074 /nfs/dbraw/zinc/24/30/74/279243074.db2.gz MUWYBONUZXDXFE-CJNGLKHVSA-N 2 1 268.445 2.342 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000248546887 279267893 /nfs/dbraw/zinc/26/78/93/279267893.db2.gz FWVGYFFSUFUEOQ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000261646528 279349574 /nfs/dbraw/zinc/34/95/74/279349574.db2.gz OYQKPRPRVUUDLC-BSWAZPDLSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N(C)C1CC1 ZINC000261646528 279349576 /nfs/dbraw/zinc/34/95/76/279349576.db2.gz OYQKPRPRVUUDLC-BSWAZPDLSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@H](CO)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272441381 279355866 /nfs/dbraw/zinc/35/58/66/279355866.db2.gz IORIPCUIQZJEIC-ZOBUZTSGSA-N 2 1 276.424 2.115 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000356798370 279370448 /nfs/dbraw/zinc/37/04/48/279370448.db2.gz ZJUPTICRUXKCIY-APIJFGDWSA-N 2 1 283.460 2.093 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000356798370 279370451 /nfs/dbraw/zinc/37/04/51/279370451.db2.gz ZJUPTICRUXKCIY-APIJFGDWSA-N 2 1 283.460 2.093 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000356798370 279370453 /nfs/dbraw/zinc/37/04/53/279370453.db2.gz ZJUPTICRUXKCIY-APIJFGDWSA-N 2 1 283.460 2.093 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000250214330 279396044 /nfs/dbraw/zinc/39/60/44/279396044.db2.gz CZDXGYUSHKUYGU-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP [NH3+]C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)C1CC1 ZINC000414791086 279647255 /nfs/dbraw/zinc/64/72/55/279647255.db2.gz AWSXZJJJJHLYLZ-AWEZNQCLSA-N 2 1 252.402 2.053 20 0 CEADMP C[C@@H]1C[NH+](CCCCC[N@H+]2CCCO[C@@H](C)C2)CCCO1 ZINC000172654366 288158042 /nfs/dbraw/zinc/15/80/42/288158042.db2.gz VWLMEDBJRQFVNA-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP C[C@@H]1C[N@H+](CCCCC[NH+]2CCCO[C@@H](C)C2)CCCO1 ZINC000172654366 288158045 /nfs/dbraw/zinc/15/80/45/288158045.db2.gz VWLMEDBJRQFVNA-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2CCCO[C@@H](C)C2)CCCO1 ZINC000172654366 288158047 /nfs/dbraw/zinc/15/80/47/288158047.db2.gz VWLMEDBJRQFVNA-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@](C)(O)C2CCCCC2)CC[N@H+]1C ZINC000188660827 280011185 /nfs/dbraw/zinc/01/11/85/280011185.db2.gz CVLZMOKNKWBASZ-IMJJTQAJSA-N 2 1 268.445 2.390 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182826154 280111366 /nfs/dbraw/zinc/11/13/66/280111366.db2.gz SVBMSPQXUOTOMH-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000183175590 280112347 /nfs/dbraw/zinc/11/23/47/280112347.db2.gz CVQNHBFXMQBQMN-ZIAGYGMSSA-N 2 1 299.459 2.364 20 0 CEADMP CCOC(=O)CCCCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226467693 280215219 /nfs/dbraw/zinc/21/52/19/280215219.db2.gz JJSULDFGSGQMRV-CQSZACIVSA-N 2 1 270.417 2.184 20 0 CEADMP CC(C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCC1 ZINC000127789015 280254630 /nfs/dbraw/zinc/25/46/30/280254630.db2.gz HQVHSHGKGJRNFY-ZACQAIPSSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246527520 280298937 /nfs/dbraw/zinc/29/89/37/280298937.db2.gz JEMWPXGKKZSOKN-UONOGXRCSA-N 2 1 284.444 2.380 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246527520 280298938 /nfs/dbraw/zinc/29/89/38/280298938.db2.gz JEMWPXGKKZSOKN-UONOGXRCSA-N 2 1 284.444 2.380 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246527520 280298940 /nfs/dbraw/zinc/29/89/40/280298940.db2.gz JEMWPXGKKZSOKN-UONOGXRCSA-N 2 1 284.444 2.380 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000246820102 280310820 /nfs/dbraw/zinc/31/08/20/280310820.db2.gz BCVOAAICPJFHDA-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@@H+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000246820102 280310821 /nfs/dbraw/zinc/31/08/21/280310821.db2.gz BCVOAAICPJFHDA-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@H+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000246820102 280310822 /nfs/dbraw/zinc/31/08/22/280310822.db2.gz BCVOAAICPJFHDA-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)[C@H]1CCOC1 ZINC000247890600 280340851 /nfs/dbraw/zinc/34/08/51/280340851.db2.gz FGPXUVXXUZATGR-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)CC(C)(C)C ZINC000247984869 280341607 /nfs/dbraw/zinc/34/16/07/280341607.db2.gz ISAXNHVLMYVBTL-MQYQWHSLSA-N 2 1 256.434 2.102 20 0 CEADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C(C)C ZINC000248214819 280343402 /nfs/dbraw/zinc/34/34/02/280343402.db2.gz ZKRWWIQOWLJFJJ-LSDHHAIUSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@@H](CCC1CC1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000249057307 280381818 /nfs/dbraw/zinc/38/18/18/280381818.db2.gz XUNBNFFMNYKMQQ-HOCLYGCPSA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000249259103 280389550 /nfs/dbraw/zinc/38/95/50/280389550.db2.gz GOXDOZVOWPDMEA-DLBZAZTESA-N 2 1 281.488 2.380 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422635144 280925488 /nfs/dbraw/zinc/92/54/88/280925488.db2.gz LAHBMLZXTGLEMG-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP COC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(F)c(F)c1 ZINC000423012023 280993878 /nfs/dbraw/zinc/99/38/78/280993878.db2.gz BUZGRICMTKLMKB-BHDSKKPTSA-N 2 1 272.339 2.368 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1c[nH+]ccc1N ZINC000423027649 280999191 /nfs/dbraw/zinc/99/91/91/280999191.db2.gz DUONMFAVHCWHQG-UKRRQHHQSA-N 2 1 285.391 2.138 20 0 CEADMP CC(C)OCCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423029062 281000341 /nfs/dbraw/zinc/00/03/41/281000341.db2.gz HNOAYTPSUNQYOM-LBPRGKRZSA-N 2 1 251.374 2.350 20 0 CEADMP C[C@@H](CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)[NH+]1CCCCC1 ZINC000423033289 281003695 /nfs/dbraw/zinc/00/36/95/281003695.db2.gz OAGZJPAJUMVLLC-OWCLPIDISA-N 3 1 267.461 2.229 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1NCC1(C[NH+](C)C)CCCC1 ZINC000423037863 281004967 /nfs/dbraw/zinc/00/49/67/281004967.db2.gz NHYHWLIIGCTXNK-LSDHHAIUSA-N 2 1 267.461 2.086 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1(C)C ZINC000423048281 281009463 /nfs/dbraw/zinc/00/94/63/281009463.db2.gz IGTRKUZAZQQYKO-YIYPIFLZSA-N 2 1 254.418 2.166 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423051733 281011541 /nfs/dbraw/zinc/01/15/41/281011541.db2.gz OYSPJPHMGOVSHE-IGQOVBAYSA-N 2 1 254.418 2.309 20 0 CEADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@H](C)C[NH3+])cc1OC ZINC000423330569 281023752 /nfs/dbraw/zinc/02/37/52/281023752.db2.gz PKXUQEMYPCSVOQ-GRYCIOLGSA-N 2 1 266.385 2.133 20 0 CEADMP C[NH2+][C@H](C)C[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000423402421 281028810 /nfs/dbraw/zinc/02/88/10/281028810.db2.gz WWQPHLDPFCLELP-GHMZBOCLSA-N 2 1 256.340 2.483 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423402073 281028913 /nfs/dbraw/zinc/02/89/13/281028913.db2.gz YEFTWHCXGPVFIW-TUVASFSCSA-N 2 1 267.461 2.083 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000423425036 281037679 /nfs/dbraw/zinc/03/76/79/281037679.db2.gz MEYKCBQYOAISBU-DVOMOZLQSA-N 2 1 287.407 2.015 20 0 CEADMP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423434732 281040651 /nfs/dbraw/zinc/04/06/51/281040651.db2.gz QKXNULWUJNOTQQ-CLWVCHIJSA-N 2 1 267.376 2.353 20 0 CEADMP COCCC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1 ZINC000423435627 281041198 /nfs/dbraw/zinc/04/11/98/281041198.db2.gz OYUDYSLDYMGUME-XUWVNRHRSA-N 2 1 278.371 2.101 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccc(OC)c(OC)c1 ZINC000423440090 281043500 /nfs/dbraw/zinc/04/35/00/281043500.db2.gz ALGXAJUCHGTIBO-QWHCGFSZSA-N 2 1 266.385 2.482 20 0 CEADMP CCc1nc2c(s1)[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])CCC2 ZINC000423440306 281043615 /nfs/dbraw/zinc/04/36/15/281043615.db2.gz IMRBPROQGNESJL-IVZWLZJFSA-N 2 1 253.415 2.408 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@H](C)[NH3+] ZINC000423440906 281043920 /nfs/dbraw/zinc/04/39/20/281043920.db2.gz IQIWCCBYRPBXDI-MJBXVCDLSA-N 3 1 279.428 2.013 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]([NH3+])CC)c2ccccc21 ZINC000423464020 281047597 /nfs/dbraw/zinc/04/75/97/281047597.db2.gz LSGIECMKJJNLTC-WQVCFCJDSA-N 2 1 290.407 2.495 20 0 CEADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423475678 281052013 /nfs/dbraw/zinc/05/20/13/281052013.db2.gz RUINJAKJMXAOBJ-RWEMILLDSA-N 2 1 252.333 2.147 20 0 CEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccccc1-n1ccnn1 ZINC000423496487 281056238 /nfs/dbraw/zinc/05/62/38/281056238.db2.gz DZQJGTJLXCSFLD-CJNGLKHVSA-N 2 1 299.422 2.435 20 0 CEADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000423529273 281062854 /nfs/dbraw/zinc/06/28/54/281062854.db2.gz XQFBKTFYCNJEDR-ZBFHGGJFSA-N 2 1 262.397 2.333 20 0 CEADMP COC(=O)c1coc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424384301 281155490 /nfs/dbraw/zinc/15/54/90/281155490.db2.gz VHYQSXMINUPKGS-GFCCVEGCSA-N 2 1 292.379 2.030 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1ccn(C(F)F)n1)CC[NH2+]CC2 ZINC000424387071 281155560 /nfs/dbraw/zinc/15/55/60/281155560.db2.gz YBNOFANMDLNZIE-LLVKDONJSA-N 2 1 284.354 2.242 20 0 CEADMP Cc1cccc(NC(=O)C[N@@H+](C)CC2CC[NH2+]CC2)c1C ZINC000094024629 281236217 /nfs/dbraw/zinc/23/62/17/281236217.db2.gz BNTGDMFIUBOCMX-UHFFFAOYSA-N 2 1 289.423 2.173 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC000430115929 281262812 /nfs/dbraw/zinc/26/28/12/281262812.db2.gz CHCNBVZOPHKFHW-ARFHVFGLSA-N 2 1 266.429 2.219 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CCO1 ZINC000430115929 281262814 /nfs/dbraw/zinc/26/28/14/281262814.db2.gz CHCNBVZOPHKFHW-ARFHVFGLSA-N 2 1 266.429 2.219 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC000430115929 281262817 /nfs/dbraw/zinc/26/28/17/281262817.db2.gz CHCNBVZOPHKFHW-ARFHVFGLSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@@H+](CCCOCCc1ccccc1)C1CC[NH2+]CC1 ZINC000430614547 281269757 /nfs/dbraw/zinc/26/97/57/281269757.db2.gz ZDJJPGGQGSHWAC-UHFFFAOYSA-N 2 1 276.424 2.320 20 0 CEADMP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C[NH3+])CC1 ZINC000430622149 281270456 /nfs/dbraw/zinc/27/04/56/281270456.db2.gz FMTDDRDUPUSAGH-JTQLQIEISA-N 2 1 266.389 2.099 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430631551 281271347 /nfs/dbraw/zinc/27/13/47/281271347.db2.gz UUPPEISXVLGYHA-OAHLLOKOSA-N 2 1 262.397 2.435 20 0 CEADMP CC(C)c1noc([C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)n1 ZINC000430940674 281283936 /nfs/dbraw/zinc/28/39/36/281283936.db2.gz QHYBCLWMWJOSGZ-WDEREUQCSA-N 2 1 266.389 2.313 20 0 CEADMP CN(C)c1cc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc[nH+]1 ZINC000430999673 281285816 /nfs/dbraw/zinc/28/58/16/281285816.db2.gz ADKDIUOIFKFSMV-UONOGXRCSA-N 2 1 290.411 2.384 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC2CCOCC2)CC1 ZINC000432786707 281340776 /nfs/dbraw/zinc/34/07/76/281340776.db2.gz PXRBQDJFNYGCMO-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC(C)(C)C2)CCCO1 ZINC000433093457 281365029 /nfs/dbraw/zinc/36/50/29/281365029.db2.gz UPCIJBWJLVGXJI-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC(C)(C)C2)CCCO1 ZINC000433093457 281365030 /nfs/dbraw/zinc/36/50/30/281365030.db2.gz UPCIJBWJLVGXJI-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+](Cc1ccc(C(=O)OC)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435379407 281386597 /nfs/dbraw/zinc/38/65/97/281386597.db2.gz IUJROERMLKGAND-GFCCVEGCSA-N 2 1 280.368 2.030 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)OC)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435379407 281386600 /nfs/dbraw/zinc/38/66/00/281386600.db2.gz IUJROERMLKGAND-GFCCVEGCSA-N 2 1 280.368 2.030 20 0 CEADMP CC[N@H+](Cc1cnc(N(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435380553 281386679 /nfs/dbraw/zinc/38/66/79/281386679.db2.gz OYKMYBGSVWMPQA-GFCCVEGCSA-N 2 1 282.457 2.173 20 0 CEADMP CC[N@@H+](Cc1cnc(N(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435380553 281386681 /nfs/dbraw/zinc/38/66/81/281386681.db2.gz OYKMYBGSVWMPQA-GFCCVEGCSA-N 2 1 282.457 2.173 20 0 CEADMP Cc1ncsc1C[N@@H+](CC1CC1)C[C@@H]1CC[NH2+]C1 ZINC000435426904 281389557 /nfs/dbraw/zinc/38/95/57/281389557.db2.gz JWPNMIFJEJSZDL-CYBMUJFWSA-N 2 1 265.426 2.273 20 0 CEADMP Cc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1-n1cncn1 ZINC000435439247 281390233 /nfs/dbraw/zinc/39/02/33/281390233.db2.gz UIQNWMARPKUJDK-MRXNPFEDSA-N 2 1 299.422 2.150 20 0 CEADMP CC[C@H](C[NH2+][C@H](C)CC(=O)N(CC)CC)[NH+]1CCCC1 ZINC000151709387 289064827 /nfs/dbraw/zinc/06/48/27/289064827.db2.gz DXBDOZSYOFLUDW-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC[C@@H](C[NH2+][C@H](C)CC(=O)N(CC)CC)[NH+]1CCCC1 ZINC000151709331 289064848 /nfs/dbraw/zinc/06/48/48/289064848.db2.gz DXBDOZSYOFLUDW-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP C[NH+](C)CC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000358354243 289103946 /nfs/dbraw/zinc/10/39/46/289103946.db2.gz PSMOFSUOTHEJOM-BACDZXNISA-N 3 1 279.472 2.323 20 0 CEADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000155641113 289179638 /nfs/dbraw/zinc/17/96/38/289179638.db2.gz KLLJFXQTJNEJEC-ILXRZTDVSA-N 2 1 283.460 2.131 20 0 CEADMP Cc1nnc(C[NH+]2CCC(CC[NH+](C)C)CC2)n1C1CC1 ZINC000157600134 289217967 /nfs/dbraw/zinc/21/79/67/289217967.db2.gz XBPZPEBMVNTJJQ-UHFFFAOYSA-N 2 1 291.443 2.085 20 0 CEADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)s1 ZINC000312109653 289280615 /nfs/dbraw/zinc/28/06/15/289280615.db2.gz LTXMWWTWCSTZHP-RISCZKNCSA-N 2 1 282.453 2.032 20 0 CEADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)s1 ZINC000312109653 289280617 /nfs/dbraw/zinc/28/06/17/289280617.db2.gz LTXMWWTWCSTZHP-RISCZKNCSA-N 2 1 282.453 2.032 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCOC1 ZINC000356768788 290019433 /nfs/dbraw/zinc/01/94/33/290019433.db2.gz HWORMQJUKJTFGR-GBJTYRQASA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000161658433 290053653 /nfs/dbraw/zinc/05/36/53/290053653.db2.gz CZHUWMJQQCJOAI-AEGPPILISA-N 2 1 252.402 2.018 20 0 CEADMP CN1CC[NH2+]C[C@H]1C[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000414979924 290063229 /nfs/dbraw/zinc/06/32/29/290063229.db2.gz VGQBMISCKQCSGS-AWEZNQCLSA-N 2 1 267.461 2.085 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459382480 290132165 /nfs/dbraw/zinc/13/21/65/290132165.db2.gz FESXCQZMQFJIAQ-LBPRGKRZSA-N 2 1 285.395 2.285 20 0 CEADMP CC(C)c1noc(CCC[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000459410568 290139974 /nfs/dbraw/zinc/13/99/74/290139974.db2.gz SKPUOXLAJURAHO-UHFFFAOYSA-N 2 1 292.427 2.342 20 0 CEADMP C(C[NH2+]C1CC[NH+](C2CC2)CC1)COCC1CCOCC1 ZINC000459421310 290143748 /nfs/dbraw/zinc/14/37/48/290143748.db2.gz CAOJRKKTDHSAEE-UHFFFAOYSA-N 2 1 296.455 2.036 20 0 CEADMP CCc1cnccc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000459422294 290143829 /nfs/dbraw/zinc/14/38/29/290143829.db2.gz ZHLCHLSADHCPOV-GFCCVEGCSA-N 2 1 258.369 2.271 20 0 CEADMP Cc1cccc(NCC[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000459487749 290162544 /nfs/dbraw/zinc/16/25/44/290162544.db2.gz WBUZSPFHYRVTSB-UHFFFAOYSA-N 2 1 274.412 2.018 20 0 CEADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](CO)C(C)C ZINC000459568278 290181939 /nfs/dbraw/zinc/18/19/39/290181939.db2.gz BMJHDBYGSZPHCG-DLBZAZTESA-N 2 1 282.472 2.492 20 0 CEADMP CC1(C)CCC[C@@]1(O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459582118 290185713 /nfs/dbraw/zinc/18/57/13/290185713.db2.gz DCDVBKLQSZXCBO-MRXNPFEDSA-N 2 1 266.429 2.144 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CCCC2)[C@@H]2CCC[C@H]21 ZINC000353670255 290216585 /nfs/dbraw/zinc/21/65/85/290216585.db2.gz KTRLXKNNMOTBFH-SOUVJXGZSA-N 2 1 266.429 2.002 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C12CCC2 ZINC000459741257 290224038 /nfs/dbraw/zinc/22/40/38/290224038.db2.gz BTMLRISTBJCHHN-MGPQQGTHSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H]1OCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000459780789 290237688 /nfs/dbraw/zinc/23/76/88/290237688.db2.gz RVCJFATXVFQJQW-KGLIPLIRSA-N 2 1 251.374 2.129 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)CCO2 ZINC000468027610 290269895 /nfs/dbraw/zinc/26/98/95/290269895.db2.gz DWJXLUDAXAJKJT-WQVCFCJDSA-N 2 1 290.407 2.449 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)CCO2 ZINC000468027610 290269896 /nfs/dbraw/zinc/26/98/96/290269896.db2.gz DWJXLUDAXAJKJT-WQVCFCJDSA-N 2 1 290.407 2.449 20 0 CEADMP C[C@H](C[NH2+]C[C@H]1CCSC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000486956688 290324013 /nfs/dbraw/zinc/32/40/13/290324013.db2.gz NPMKJNUITIZLDP-MGPQQGTHSA-N 2 1 256.459 2.450 20 0 CEADMP C[C@H](C[NH2+]C[C@H]1CCSC1)[N@H+]1CCC[C@@H](C)C1 ZINC000486956688 290324016 /nfs/dbraw/zinc/32/40/16/290324016.db2.gz NPMKJNUITIZLDP-MGPQQGTHSA-N 2 1 256.459 2.450 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000487276370 290339373 /nfs/dbraw/zinc/33/93/73/290339373.db2.gz QCVLUNOFBQFQDH-KGLIPLIRSA-N 2 1 256.459 2.450 20 0 CEADMP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374028636 297009524 /nfs/dbraw/zinc/00/95/24/297009524.db2.gz RLFQPVINGGNMGO-QBPKDAKJSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374028636 297009526 /nfs/dbraw/zinc/00/95/26/297009526.db2.gz RLFQPVINGGNMGO-QBPKDAKJSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374028636 297009527 /nfs/dbraw/zinc/00/95/27/297009527.db2.gz RLFQPVINGGNMGO-QBPKDAKJSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374028636 297009529 /nfs/dbraw/zinc/00/95/29/297009529.db2.gz RLFQPVINGGNMGO-QBPKDAKJSA-N 2 1 296.455 2.129 20 0 CEADMP [NH3+]CCCCCCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000262630557 295227698 /nfs/dbraw/zinc/22/76/98/295227698.db2.gz FAAJQMGPPNCGAV-UHFFFAOYSA-N 2 1 295.471 2.373 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)CCCO1 ZINC000334970804 295260385 /nfs/dbraw/zinc/26/03/85/295260385.db2.gz GNCPJBWPVPQAIX-GDBMZVCRSA-N 2 1 278.371 2.253 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)CCCO1 ZINC000334970804 295260386 /nfs/dbraw/zinc/26/03/86/295260386.db2.gz GNCPJBWPVPQAIX-GDBMZVCRSA-N 2 1 278.371 2.253 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000335058898 295306632 /nfs/dbraw/zinc/30/66/32/295306632.db2.gz JWPHQOZBWJNWDB-UKRRQHHQSA-N 3 1 265.445 2.253 20 0 CEADMP C[NH+](C)[C@@H](C(=O)NCc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000515486319 297576473 /nfs/dbraw/zinc/57/64/73/297576473.db2.gz KAZXXJVFGLJNNC-QGZVFWFLSA-N 2 1 297.402 2.064 20 0 CEADMP Cc1c[nH+]cn1Cc1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000528074078 297784087 /nfs/dbraw/zinc/78/40/87/297784087.db2.gz XZXPEHDMSDXOFY-UHFFFAOYSA-N 2 1 297.362 2.351 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000529532786 297959078 /nfs/dbraw/zinc/95/90/78/297959078.db2.gz OOTUCROPRGAEAE-NSHDSACASA-N 2 1 276.371 2.121 20 0 CEADMP CC[C@H]([NH2+]C[C@]1(C)COc2ccccc2O1)[C@@H]1CCC[NH2+]1 ZINC000530214301 298052057 /nfs/dbraw/zinc/05/20/57/298052057.db2.gz XGWYMYPJBNPDNF-GRDNDAEWSA-N 2 1 290.407 2.337 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncccc3Cl)C[C@@H]21 ZINC000530216456 298052614 /nfs/dbraw/zinc/05/26/14/298052614.db2.gz BOCNTPNWNIACHZ-NTZNESFSSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncccc3Cl)C[C@@H]21 ZINC000530216456 298052616 /nfs/dbraw/zinc/05/26/16/298052616.db2.gz BOCNTPNWNIACHZ-NTZNESFSSA-N 2 1 265.788 2.294 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)C1CCSCC1 ZINC000530460164 298072932 /nfs/dbraw/zinc/07/29/32/298072932.db2.gz NQXXYPSCZQCQEP-NSHDSACASA-N 2 1 253.415 2.084 20 0 CEADMP O[C@@H](C[NH2+][C@@H]1CCc2c1cccc2Cl)C[NH+]1CCCC1 ZINC000532212291 298136141 /nfs/dbraw/zinc/13/61/41/298136141.db2.gz GBSZNHSMCYTDQH-BLLLJJGKSA-N 2 1 294.826 2.374 20 0 CEADMP C[C@@H](O)C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000534314727 298172578 /nfs/dbraw/zinc/17/25/78/298172578.db2.gz BJEIFIJMKVPLMG-NVXWUHKLSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@@H](O)C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000534314727 298172582 /nfs/dbraw/zinc/17/25/82/298172582.db2.gz BJEIFIJMKVPLMG-NVXWUHKLSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@@H](O)C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000534314727 298172584 /nfs/dbraw/zinc/17/25/84/298172584.db2.gz BJEIFIJMKVPLMG-NVXWUHKLSA-N 2 1 276.424 2.354 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000547277137 298360431 /nfs/dbraw/zinc/36/04/31/298360431.db2.gz UCXXIDGKWHHMKX-IRXDYDNUSA-N 2 1 274.408 2.184 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](CC2CC2)c2ccccc2)C1 ZINC000547277137 298360433 /nfs/dbraw/zinc/36/04/33/298360433.db2.gz UCXXIDGKWHHMKX-IRXDYDNUSA-N 2 1 274.408 2.184 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415125983 298363903 /nfs/dbraw/zinc/36/39/03/298363903.db2.gz LRWNDUSKBGJIRI-FMKPAKJESA-N 2 1 268.445 2.356 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000565645228 298914424 /nfs/dbraw/zinc/91/44/24/298914424.db2.gz NGZNPYOTHRCDHQ-ZFWWWQNUSA-N 3 1 299.422 2.053 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccco2)c2ccccc21 ZINC000566672530 299013486 /nfs/dbraw/zinc/01/34/86/299013486.db2.gz BYXDFIBUKOEHKG-JLZZUVOBSA-N 2 1 286.375 2.165 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000352534390 303385965 /nfs/dbraw/zinc/38/59/65/303385965.db2.gz GBQGKDAWGHXQOU-INIZCTEOSA-N 2 1 288.439 2.385 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000519578765 313117322 /nfs/dbraw/zinc/11/73/22/313117322.db2.gz GHZHUEIEJKFIQF-LXTVHRRPSA-N 2 1 266.429 2.264 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(c2ccccc2)CCC1)C1CC1 ZINC000519816896 313119548 /nfs/dbraw/zinc/11/95/48/313119548.db2.gz HDXLGYWPNBUSHA-KRWDZBQOSA-N 2 1 288.435 2.153 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(c2ccccc2)CCC1)C1CC1 ZINC000519816896 313119552 /nfs/dbraw/zinc/11/95/52/313119552.db2.gz HDXLGYWPNBUSHA-KRWDZBQOSA-N 2 1 288.435 2.153 20 0 CEADMP Cn1cc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2n1 ZINC000527765480 313200054 /nfs/dbraw/zinc/20/00/54/313200054.db2.gz XCAQKGUCXPGFOG-JKSUJKDBSA-N 2 1 284.407 2.290 20 0 CEADMP COCCC1CC[NH+]([C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000527935709 313216898 /nfs/dbraw/zinc/21/68/98/313216898.db2.gz PBKQTOVMFNDZEW-JKSUJKDBSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[NH+]2C2CCCCC2)CC[N@H+]1C ZINC000527949855 313219254 /nfs/dbraw/zinc/21/92/54/313219254.db2.gz OGIJUKDXSLUUSF-VYDXJSESSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC[NH+]1C ZINC000527949855 313219256 /nfs/dbraw/zinc/21/92/56/313219256.db2.gz OGIJUKDXSLUUSF-VYDXJSESSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+]2C2CCCCC2)CC[NH+]1C ZINC000527949855 313219259 /nfs/dbraw/zinc/21/92/59/313219259.db2.gz OGIJUKDXSLUUSF-VYDXJSESSA-N 2 1 279.472 2.466 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCN(Cc2ccsc2)CC1 ZINC000535765785 313397018 /nfs/dbraw/zinc/39/70/18/313397018.db2.gz TWZSIPDYMCZVGT-MRXNPFEDSA-N 2 1 293.480 2.350 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000535765785 313397022 /nfs/dbraw/zinc/39/70/22/313397022.db2.gz TWZSIPDYMCZVGT-MRXNPFEDSA-N 2 1 293.480 2.350 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000535765785 313397025 /nfs/dbraw/zinc/39/70/25/313397025.db2.gz TWZSIPDYMCZVGT-MRXNPFEDSA-N 2 1 293.480 2.350 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1O ZINC000570490757 314044620 /nfs/dbraw/zinc/04/46/20/314044620.db2.gz XGYATTJWYKOSDJ-NSHDSACASA-N 2 1 275.352 2.028 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000571175933 314077019 /nfs/dbraw/zinc/07/70/19/314077019.db2.gz OFPKCERYYDJQSS-HNNXBMFYSA-N 2 1 293.798 2.329 20 0 CEADMP COc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1)O[C@H](C)C2 ZINC000571981502 314114562 /nfs/dbraw/zinc/11/45/62/314114562.db2.gz NXXCIZOULPBAPE-LALPHHSUSA-N 2 1 290.407 2.249 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000572226723 314125008 /nfs/dbraw/zinc/12/50/08/314125008.db2.gz NGBCODWOELVPAC-XHSDSOJGSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000572226723 314125010 /nfs/dbraw/zinc/12/50/10/314125010.db2.gz NGBCODWOELVPAC-XHSDSOJGSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000572226723 314125014 /nfs/dbraw/zinc/12/50/14/314125014.db2.gz NGBCODWOELVPAC-XHSDSOJGSA-N 2 1 268.445 2.201 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000574269020 314202847 /nfs/dbraw/zinc/20/28/47/314202847.db2.gz XHSJYDKMPWQSSC-QZTJIDSGSA-N 3 1 287.451 2.411 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000574269020 314202850 /nfs/dbraw/zinc/20/28/50/314202850.db2.gz XHSJYDKMPWQSSC-QZTJIDSGSA-N 3 1 287.451 2.411 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)c2nccn21 ZINC000575124080 314207457 /nfs/dbraw/zinc/20/74/57/314207457.db2.gz MYNIDBMRNIQKQG-RISCZKNCSA-N 2 1 256.353 2.137 20 0 CEADMP COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000576107399 314242214 /nfs/dbraw/zinc/24/22/14/314242214.db2.gz MPONBLFWJITAJR-GPAKFWEMSA-N 2 1 260.381 2.379 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000576107399 314242219 /nfs/dbraw/zinc/24/22/19/314242219.db2.gz MPONBLFWJITAJR-GPAKFWEMSA-N 2 1 260.381 2.379 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000576114110 314243349 /nfs/dbraw/zinc/24/33/49/314243349.db2.gz LOGHNGPVIIEHFX-SJORKVTESA-N 2 1 276.424 2.227 20 0 CEADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000576487949 314281642 /nfs/dbraw/zinc/28/16/42/314281642.db2.gz GLKHDOZICMXSMH-PBFPGSCMSA-N 2 1 286.423 2.472 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000576884778 314319841 /nfs/dbraw/zinc/31/98/41/314319841.db2.gz LMUCMPUCTQLEMK-RBSFLKMASA-N 2 1 270.461 2.494 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000577151731 314345931 /nfs/dbraw/zinc/34/59/31/314345931.db2.gz OCVPYDNHWXKFQC-XUWVNRHRSA-N 2 1 269.477 2.425 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000577151731 314345934 /nfs/dbraw/zinc/34/59/34/314345934.db2.gz OCVPYDNHWXKFQC-XUWVNRHRSA-N 2 1 269.477 2.425 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000577151731 314345935 /nfs/dbraw/zinc/34/59/35/314345935.db2.gz OCVPYDNHWXKFQC-XUWVNRHRSA-N 2 1 269.477 2.425 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCc2cncn2C)C1 ZINC000577408486 314374991 /nfs/dbraw/zinc/37/49/91/314374991.db2.gz YZXIFAZCJYFEIC-OAHLLOKOSA-N 2 1 278.444 2.016 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000580342037 322312940 /nfs/dbraw/zinc/31/29/40/322312940.db2.gz PNVJLQDYUZGLBD-LXZKKBNFSA-N 2 1 294.414 2.316 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000580342037 322312941 /nfs/dbraw/zinc/31/29/41/322312941.db2.gz PNVJLQDYUZGLBD-LXZKKBNFSA-N 2 1 294.414 2.316 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000580342037 322312942 /nfs/dbraw/zinc/31/29/42/322312942.db2.gz PNVJLQDYUZGLBD-LXZKKBNFSA-N 2 1 294.414 2.316 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000580564301 322327099 /nfs/dbraw/zinc/32/70/99/322327099.db2.gz RPOJIRXTIQRZRG-ZDUSSCGKSA-N 2 1 251.399 2.191 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000581141333 322372807 /nfs/dbraw/zinc/37/28/07/322372807.db2.gz YYWLMPCNGKMEEW-SJORKVTESA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000581141333 322372809 /nfs/dbraw/zinc/37/28/09/322372809.db2.gz YYWLMPCNGKMEEW-SJORKVTESA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000581141333 322372811 /nfs/dbraw/zinc/37/28/11/322372811.db2.gz YYWLMPCNGKMEEW-SJORKVTESA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000581363992 322390424 /nfs/dbraw/zinc/39/04/24/322390424.db2.gz DYAVSMDIONESFZ-SJLPKXTDSA-N 2 1 289.467 2.486 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000581363992 322390427 /nfs/dbraw/zinc/39/04/27/322390427.db2.gz DYAVSMDIONESFZ-SJLPKXTDSA-N 3 1 289.467 2.486 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000581363992 322390430 /nfs/dbraw/zinc/39/04/30/322390430.db2.gz DYAVSMDIONESFZ-SJLPKXTDSA-N 3 1 289.467 2.486 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000581380459 322392627 /nfs/dbraw/zinc/39/26/27/322392627.db2.gz UZBJCJMWXXNGHN-BARDWOONSA-N 2 1 253.434 2.109 20 0 CEADMP C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000581380459 322392630 /nfs/dbraw/zinc/39/26/30/322392630.db2.gz UZBJCJMWXXNGHN-BARDWOONSA-N 2 1 253.434 2.109 20 0 CEADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCOCC[NH3+])c1 ZINC000357094553 533712057 /nfs/dbraw/zinc/71/20/57/533712057.db2.gz YWHFQZWYEYYDTO-CQSZACIVSA-N 2 1 250.386 2.272 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000093597190 534195479 /nfs/dbraw/zinc/19/54/79/534195479.db2.gz JZRWBCQJJFOYFV-AWEZNQCLSA-N 2 1 275.396 2.013 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000093597190 534195483 /nfs/dbraw/zinc/19/54/83/534195483.db2.gz JZRWBCQJJFOYFV-AWEZNQCLSA-N 2 1 275.396 2.013 20 0 CEADMP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3CC[NH2+]C3)s2)o1 ZINC000414908070 534217518 /nfs/dbraw/zinc/21/75/18/534217518.db2.gz NUPJDZYKWNFGAY-LLVKDONJSA-N 2 1 277.393 2.411 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000365196607 520605192 /nfs/dbraw/zinc/60/51/92/520605192.db2.gz AZKKURMSGRNGCM-UHFFFAOYSA-N 2 1 264.417 2.321 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCOc2ccc(OC)cc2)CC1 ZINC000157456193 521561868 /nfs/dbraw/zinc/56/18/68/521561868.db2.gz XTQOLOWJUYHNIF-UHFFFAOYSA-N 2 1 292.423 2.490 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCOc2ccc(OC)cc2)CC1 ZINC000157456193 521561873 /nfs/dbraw/zinc/56/18/73/521561873.db2.gz XTQOLOWJUYHNIF-UHFFFAOYSA-N 2 1 292.423 2.490 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000163563388 521714672 /nfs/dbraw/zinc/71/46/72/521714672.db2.gz CYGSOQXVSSHILW-CHWSQXEVSA-N 2 1 270.417 2.038 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000363443865 522938884 /nfs/dbraw/zinc/93/88/84/522938884.db2.gz ZWJVGJQBFFGXID-BARDWOONSA-N 2 1 266.429 2.216 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000363443865 522938897 /nfs/dbraw/zinc/93/88/97/522938897.db2.gz ZWJVGJQBFFGXID-BARDWOONSA-N 2 1 266.429 2.216 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000363443865 522938902 /nfs/dbraw/zinc/93/89/02/522938902.db2.gz ZWJVGJQBFFGXID-BARDWOONSA-N 2 1 266.429 2.216 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400462947 534690288 /nfs/dbraw/zinc/69/02/88/534690288.db2.gz RZEBWPQFCIARQM-TZMCWYRMSA-N 2 1 272.396 2.075 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000363459714 523820412 /nfs/dbraw/zinc/82/04/12/523820412.db2.gz QHYHYXAIFJBOPA-CQSZACIVSA-N 2 1 262.401 2.073 20 0 CEADMP CO[C@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000363686185 523880102 /nfs/dbraw/zinc/88/01/02/523880102.db2.gz DFYDWCMJCBQSJS-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP COc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cn1 ZINC000158037449 524070567 /nfs/dbraw/zinc/07/05/67/524070567.db2.gz ORFURNSPHCSKFI-UHFFFAOYSA-N 2 1 277.412 2.302 20 0 CEADMP C[C@H](C[NH2+]Cc1cncs1)C[NH+]1CCCCC1 ZINC000054788261 524489551 /nfs/dbraw/zinc/48/95/51/524489551.db2.gz WVCDXQAAIPXTGN-GFCCVEGCSA-N 2 1 253.415 2.355 20 0 CEADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CC(C)(C)O1 ZINC000050954122 524588804 /nfs/dbraw/zinc/58/88/04/524588804.db2.gz SHESTCOIHDRAHQ-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CC(C)(C)O1 ZINC000050954119 524941351 /nfs/dbraw/zinc/94/13/51/524941351.db2.gz SHESTCOIHDRAHQ-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP C[S@@](=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000155524033 525372873 /nfs/dbraw/zinc/37/28/73/525372873.db2.gz FPHLLSJSLQXTHW-SXGZJXTBSA-N 2 1 292.448 2.140 20 0 CEADMP C[S@@](=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000155524033 525372880 /nfs/dbraw/zinc/37/28/80/525372880.db2.gz FPHLLSJSLQXTHW-SXGZJXTBSA-N 2 1 292.448 2.140 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000355790429 528230181 /nfs/dbraw/zinc/23/01/81/528230181.db2.gz ZCCVINPGIVCHJC-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)[C@@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCCCC1 ZINC000357392593 528351321 /nfs/dbraw/zinc/35/13/21/528351321.db2.gz NVTTVLBKKYAEJQ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOCC ZINC000191514851 528861841 /nfs/dbraw/zinc/86/18/41/528861841.db2.gz UOAGYCSSWPGUAA-UHFFFAOYSA-N 2 1 253.390 2.194 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOCC ZINC000191514851 528861855 /nfs/dbraw/zinc/86/18/55/528861855.db2.gz UOAGYCSSWPGUAA-UHFFFAOYSA-N 2 1 253.390 2.194 20 0 CEADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@H](C[NH3+])C3)ccc2o1 ZINC000420301393 536591720 /nfs/dbraw/zinc/59/17/20/536591720.db2.gz VTXNZMJWLSTHAJ-GFCCVEGCSA-N 2 1 288.347 2.000 20 0 CEADMP c1cc2c(nc[nH+]c2N2CCC[C@H]([NH+]3CCCC3)CC2)[nH]1 ZINC000265570041 574431927 /nfs/dbraw/zinc/43/19/27/574431927.db2.gz LHFXWWYESLBTDQ-ZDUSSCGKSA-N 2 1 285.395 2.413 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2cnn(-c3ccccc3)n2)CC1 ZINC000727932081 574458779 /nfs/dbraw/zinc/45/87/79/574458779.db2.gz SCNOBVRXPQYLJO-UHFFFAOYSA-N 2 1 299.422 2.041 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccnc(N(C)C)c2)CCN1C ZINC000754048827 574521740 /nfs/dbraw/zinc/52/17/40/574521740.db2.gz GSCQEQDBWGZIIO-HIFRSBDPSA-N 2 1 276.428 2.062 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000731869553 574604374 /nfs/dbraw/zinc/60/43/74/574604374.db2.gz LMMLEVVLOGDLGB-MRXNPFEDSA-N 2 1 297.487 2.489 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000731869553 574604375 /nfs/dbraw/zinc/60/43/75/574604375.db2.gz LMMLEVVLOGDLGB-MRXNPFEDSA-N 2 1 297.487 2.489 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000731869553 574604376 /nfs/dbraw/zinc/60/43/76/574604376.db2.gz LMMLEVVLOGDLGB-MRXNPFEDSA-N 2 1 297.487 2.489 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](CC)C1 ZINC000732279506 574617470 /nfs/dbraw/zinc/61/74/70/574617470.db2.gz RJTAIXZCNLRNFW-MRXNPFEDSA-N 2 1 297.487 2.347 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000732279506 574617471 /nfs/dbraw/zinc/61/74/71/574617471.db2.gz RJTAIXZCNLRNFW-MRXNPFEDSA-N 2 1 297.487 2.347 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000732279506 574617472 /nfs/dbraw/zinc/61/74/72/574617472.db2.gz RJTAIXZCNLRNFW-MRXNPFEDSA-N 2 1 297.487 2.347 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000735662977 574764505 /nfs/dbraw/zinc/76/45/05/574764505.db2.gz UASHCKDBEHFTEH-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1CC(=O)N(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC000755920098 574787994 /nfs/dbraw/zinc/78/79/94/574787994.db2.gz CMRZEHVPSRKOBE-OAHLLOKOSA-N 2 1 295.471 2.255 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C(C)C)CC1 ZINC000353502061 574798619 /nfs/dbraw/zinc/79/86/19/574798619.db2.gz KFZJPQAUARODOX-CABCVRRESA-N 2 1 254.418 2.121 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000741723763 574995534 /nfs/dbraw/zinc/99/55/34/574995534.db2.gz HTYBSBPXBOFGSA-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000741723763 574995535 /nfs/dbraw/zinc/99/55/35/574995535.db2.gz HTYBSBPXBOFGSA-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000741723763 574995536 /nfs/dbraw/zinc/99/55/36/574995536.db2.gz HTYBSBPXBOFGSA-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)C[NH+]2CCCC2)C1 ZINC000743869132 575111786 /nfs/dbraw/zinc/11/17/86/575111786.db2.gz LZZQNUDHMDVAKL-QLFBSQMISA-N 2 1 286.485 2.049 20 0 CEADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](O)C[NH+]2CCCC2)C1 ZINC000743869132 575111787 /nfs/dbraw/zinc/11/17/87/575111787.db2.gz LZZQNUDHMDVAKL-QLFBSQMISA-N 2 1 286.485 2.049 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902791046 634834385 /nfs/dbraw/zinc/83/43/85/634834385.db2.gz SJZRHCFEYCFXND-YZXKGSGOSA-N 2 1 266.429 2.120 20 0 CEADMP CC(C)[NH2+]CC1CC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000961923953 613945284 /nfs/dbraw/zinc/94/52/84/613945284.db2.gz JQLGMTWSTHICDS-GPANFISMSA-N 2 1 295.471 2.142 20 0 CEADMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1)[NH+]1CCCC1 ZINC000980491352 614074586 /nfs/dbraw/zinc/07/45/86/614074586.db2.gz SPWIAZASIJFPSO-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC000971786626 614277131 /nfs/dbraw/zinc/27/71/31/614277131.db2.gz CJMYPWHTBQLMQP-CYBMUJFWSA-N 2 1 286.379 2.118 20 0 CEADMP CC(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942558468 614383981 /nfs/dbraw/zinc/38/39/81/614383981.db2.gz WVWTWGWQSIEGBD-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000950490666 614558386 /nfs/dbraw/zinc/55/83/86/614558386.db2.gz COBRVOAUQMZLLE-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CCC(C)C)C1 ZINC000950627583 614616826 /nfs/dbraw/zinc/61/68/26/614616826.db2.gz DQDCVHVMZZCPDF-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CCC(C)C)C1 ZINC000950627583 614616830 /nfs/dbraw/zinc/61/68/30/614616830.db2.gz DQDCVHVMZZCPDF-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948741834 614655454 /nfs/dbraw/zinc/65/54/54/614655454.db2.gz FOXMGMYQGQKQRT-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CC(C)C)C1 ZINC000971643224 614659907 /nfs/dbraw/zinc/65/99/07/614659907.db2.gz XKLUPNLQQPYONP-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(C)C)C1 ZINC000971643224 614659909 /nfs/dbraw/zinc/65/99/09/614659909.db2.gz XKLUPNLQQPYONP-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(C)C)C1 ZINC000971643224 614659911 /nfs/dbraw/zinc/65/99/11/614659911.db2.gz XKLUPNLQQPYONP-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC)C1 ZINC000970719902 614980633 /nfs/dbraw/zinc/98/06/33/614980633.db2.gz WSFZWXGZENCQGT-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000963319896 615076272 /nfs/dbraw/zinc/07/62/72/615076272.db2.gz VGHBMLGBHQTZLN-GPANFISMSA-N 2 1 295.471 2.238 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC ZINC000969156636 615107099 /nfs/dbraw/zinc/10/70/99/615107099.db2.gz YONCZAHLVFJPIM-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947310041 615208115 /nfs/dbraw/zinc/20/81/15/615208115.db2.gz KOUAVOKXNZRXGW-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H](C)C[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000981895750 615653213 /nfs/dbraw/zinc/65/32/13/615653213.db2.gz SAJWNEJCQPEGCL-JKSUJKDBSA-N 2 1 297.487 2.153 20 0 CEADMP C[N@@H+](CC1CC1)[C@@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC000971790442 616061795 /nfs/dbraw/zinc/06/17/95/616061795.db2.gz ZBEJCIAXLQVZKO-CQSZACIVSA-N 2 1 298.390 2.119 20 0 CEADMP C[C@@H]1OC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)[C@@H]1C ZINC000926637126 625589902 /nfs/dbraw/zinc/58/99/02/625589902.db2.gz ZLLCWOYEVPTVCZ-ILMPWQCYSA-N 2 1 288.435 2.345 20 0 CEADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024522167 625595775 /nfs/dbraw/zinc/59/57/75/625595775.db2.gz CLPNEXIBBGUJDJ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024522167 625595788 /nfs/dbraw/zinc/59/57/88/625595788.db2.gz CLPNEXIBBGUJDJ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024522166 625596425 /nfs/dbraw/zinc/59/64/25/625596425.db2.gz CLPNEXIBBGUJDJ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024522166 625596430 /nfs/dbraw/zinc/59/64/30/625596430.db2.gz CLPNEXIBBGUJDJ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000890878487 623034679 /nfs/dbraw/zinc/03/46/79/623034679.db2.gz BNUNSTMINMJHAG-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000890896506 623050218 /nfs/dbraw/zinc/05/02/18/623050218.db2.gz WQVRZNXTSHVTOY-ARFHVFGLSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CCCCO1 ZINC000123923279 623552077 /nfs/dbraw/zinc/55/20/77/623552077.db2.gz XAXPOJWNPJGZRB-INIZCTEOSA-N 2 1 274.408 2.333 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C12CCC2 ZINC000308342820 623666761 /nfs/dbraw/zinc/66/67/61/623666761.db2.gz KBRUUZBIAZQWHM-LJISPDSOSA-N 2 1 264.413 2.160 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C12CCC2 ZINC000308342820 623666764 /nfs/dbraw/zinc/66/67/64/623666764.db2.gz KBRUUZBIAZQWHM-LJISPDSOSA-N 2 1 264.413 2.160 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C12CCC2 ZINC000308360511 623673882 /nfs/dbraw/zinc/67/38/82/623673882.db2.gz GGGCXYUKMFXFTO-SOUVJXGZSA-N 2 1 266.429 2.264 20 0 CEADMP CCC(CC)[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000891678837 623891325 /nfs/dbraw/zinc/89/13/25/623891325.db2.gz XCKIYKVMKJGSCU-UHFFFAOYSA-N 2 1 256.434 2.465 20 0 CEADMP COc1nccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1F ZINC000891776195 623960025 /nfs/dbraw/zinc/96/00/25/623960025.db2.gz WXLJTZTZNQBVGR-UHFFFAOYSA-N 2 1 295.402 2.393 20 0 CEADMP Cc1cc(N)nc(NCCCC[N@@H+]2CCC[C@@H](C)C2)[nH+]1 ZINC000891847252 624018908 /nfs/dbraw/zinc/01/89/08/624018908.db2.gz VNHQALABUNTQCC-GFCCVEGCSA-N 2 1 277.416 2.291 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CCCO1 ZINC000926287867 624080674 /nfs/dbraw/zinc/08/06/74/624080674.db2.gz QOZPDVQPDIIOQS-YYIAUSFCSA-N 2 1 278.440 2.432 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CCCO1 ZINC000926287867 624080683 /nfs/dbraw/zinc/08/06/83/624080683.db2.gz QOZPDVQPDIIOQS-YYIAUSFCSA-N 2 1 278.440 2.432 20 0 CEADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000891934487 624113031 /nfs/dbraw/zinc/11/30/31/624113031.db2.gz USPYFAWEBRVPQY-UHFFFAOYSA-N 2 1 252.358 2.062 20 0 CEADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC000933944034 624121174 /nfs/dbraw/zinc/12/11/74/624121174.db2.gz KFMIVWUQNDFLNY-INIZCTEOSA-N 2 1 297.487 2.484 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@]2(C)Br)C1 ZINC000892032937 624263250 /nfs/dbraw/zinc/26/32/50/624263250.db2.gz AKHDNZRTIQLYBQ-SRVKXCTJSA-N 2 1 275.234 2.043 20 0 CEADMP COCCCC1(C[N@H+]2CC[C@H](C[NH+](C)C)C2)CCC1 ZINC000892034948 624265060 /nfs/dbraw/zinc/26/50/60/624265060.db2.gz VKOZAWUCIUMTJN-OAHLLOKOSA-N 2 1 268.445 2.467 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H](C3CCOCC3)C2)CC1 ZINC000892146502 624352784 /nfs/dbraw/zinc/35/27/84/624352784.db2.gz OGIZFBBQLIKIPP-INIZCTEOSA-N 2 1 266.429 2.077 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000235114652 624617328 /nfs/dbraw/zinc/61/73/28/624617328.db2.gz AONFNYKRJFZHHT-MELADBBJSA-N 2 1 297.443 2.116 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822621372 634956408 /nfs/dbraw/zinc/95/64/08/634956408.db2.gz IUJONEKJWBFLCT-MNOVXSKESA-N 2 1 265.228 2.454 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822621372 634956412 /nfs/dbraw/zinc/95/64/12/634956412.db2.gz IUJONEKJWBFLCT-MNOVXSKESA-N 2 1 265.228 2.454 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934829628 624835324 /nfs/dbraw/zinc/83/53/24/624835324.db2.gz AYJOISIEVSDMGX-JKSUJKDBSA-N 2 1 291.439 2.491 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934829628 624835329 /nfs/dbraw/zinc/83/53/29/624835329.db2.gz AYJOISIEVSDMGX-JKSUJKDBSA-N 2 1 291.439 2.491 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC)C1 ZINC001023402670 625004798 /nfs/dbraw/zinc/00/47/98/625004798.db2.gz QMYUJOLEPRPBOK-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC)C1 ZINC001023402670 625004803 /nfs/dbraw/zinc/00/48/03/625004803.db2.gz QMYUJOLEPRPBOK-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC)C1 ZINC001023402670 625004809 /nfs/dbraw/zinc/00/48/09/625004809.db2.gz QMYUJOLEPRPBOK-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cnn(C)c1C1CC1 ZINC000892516509 625872552 /nfs/dbraw/zinc/87/25/52/625872552.db2.gz CKFAJVKCQVDLJJ-UHFFFAOYSA-N 2 1 264.417 2.117 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cnn(C)c1C1CC1 ZINC000892516509 625872559 /nfs/dbraw/zinc/87/25/59/625872559.db2.gz CKFAJVKCQVDLJJ-UHFFFAOYSA-N 2 1 264.417 2.117 20 0 CEADMP CC(C)[N@@H+](C)CCCNCc1cn(C)nc1C1CC1 ZINC000892517004 625873909 /nfs/dbraw/zinc/87/39/09/625873909.db2.gz VBDUXRKVJLXAOU-UHFFFAOYSA-N 2 1 264.417 2.117 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cn(C)nc1C1CC1 ZINC000892517004 625873911 /nfs/dbraw/zinc/87/39/11/625873911.db2.gz VBDUXRKVJLXAOU-UHFFFAOYSA-N 2 1 264.417 2.117 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1C1CC1 ZINC000892517004 625873913 /nfs/dbraw/zinc/87/39/13/625873913.db2.gz VBDUXRKVJLXAOU-UHFFFAOYSA-N 2 1 264.417 2.117 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(-n2cnnc2)c1 ZINC000820809432 634534997 /nfs/dbraw/zinc/53/49/97/634534997.db2.gz AOQAJKPGOMGTET-HUUCEWRRSA-N 2 1 299.422 2.260 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCO1 ZINC000820828827 634543518 /nfs/dbraw/zinc/54/35/18/634543518.db2.gz BYVXIDZWKMJDPD-BBQCCYIRSA-N 2 1 264.413 2.301 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCS(=O)CC1 ZINC000892585956 627291349 /nfs/dbraw/zinc/29/13/49/627291349.db2.gz ZANVPLKEFXKWCQ-XVTSOASTSA-N 2 1 286.485 2.142 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161258232 627301845 /nfs/dbraw/zinc/30/18/45/627301845.db2.gz BMKVVVNLVFKWFL-ZDUSSCGKSA-N 2 1 293.411 2.103 20 0 CEADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902321683 634570485 /nfs/dbraw/zinc/57/04/85/634570485.db2.gz XIRSPMBYRIWLRO-AWEZNQCLSA-N 2 1 255.450 2.086 20 0 CEADMP C[N@H+](CCN[C@H]1CC[NH2+]CC(C)(C)C1)Cc1ccccc1 ZINC000902327578 634590473 /nfs/dbraw/zinc/59/04/73/634590473.db2.gz FEDUVMDJNRCTJJ-KRWDZBQOSA-N 2 1 289.467 2.486 20 0 CEADMP C[N@@H+](CCN[C@H]1CC[NH2+]CC(C)(C)C1)Cc1ccccc1 ZINC000902327578 634590476 /nfs/dbraw/zinc/59/04/76/634590476.db2.gz FEDUVMDJNRCTJJ-KRWDZBQOSA-N 2 1 289.467 2.486 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902331066 634593064 /nfs/dbraw/zinc/59/30/64/634593064.db2.gz SGUYIEARTCDUEG-BZUAXINKSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H]1CC[N@H+](CCSC(F)(F)F)C[C@@H]1C[NH3+] ZINC000167669251 627667542 /nfs/dbraw/zinc/66/75/42/627667542.db2.gz JYTMKAFOBHTUOI-IUCAKERBSA-N 2 1 256.337 2.156 20 0 CEADMP C[C@H]1CC[N@@H+](CCSC(F)(F)F)C[C@@H]1C[NH3+] ZINC000167669251 627667545 /nfs/dbraw/zinc/66/75/45/627667545.db2.gz JYTMKAFOBHTUOI-IUCAKERBSA-N 2 1 256.337 2.156 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](Nc2nccn3c[nH+]cc23)C1 ZINC000892821016 627790612 /nfs/dbraw/zinc/79/06/12/627790612.db2.gz AKUSKFKVDFZDCQ-NWDGAFQWSA-N 2 1 259.357 2.014 20 0 CEADMP CCCSC[C@@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000892966627 627906347 /nfs/dbraw/zinc/90/63/47/627906347.db2.gz BMLJRTBTAAQNTL-CYBMUJFWSA-N 2 1 274.474 2.219 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358979 634614530 /nfs/dbraw/zinc/61/45/30/634614530.db2.gz APELTGZFLDUKKQ-DZGCQCFKSA-N 3 1 278.444 2.195 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000119648340 627947847 /nfs/dbraw/zinc/94/78/47/627947847.db2.gz IDYWVLKTAXYKPZ-KRWDZBQOSA-N 2 1 279.472 2.350 20 0 CEADMP COc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360618 634615850 /nfs/dbraw/zinc/61/58/50/634615850.db2.gz HZSYLOSWYSUEKK-HIFRSBDPSA-N 2 1 292.423 2.096 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)c2ccccc2)CC[N@H+]1C ZINC000311992397 627967702 /nfs/dbraw/zinc/96/77/02/627967702.db2.gz NUKVPOBNQBJARV-VNQPRFMTSA-N 2 1 262.397 2.182 20 0 CEADMP COc1nccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1F ZINC000893086878 627988948 /nfs/dbraw/zinc/98/89/48/627988948.db2.gz UFFBWKOWKKITJQ-AGUYFDCRSA-N 2 1 293.386 2.334 20 0 CEADMP COc1nccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1F ZINC000893086878 627988952 /nfs/dbraw/zinc/98/89/52/627988952.db2.gz UFFBWKOWKKITJQ-AGUYFDCRSA-N 2 1 293.386 2.334 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925508976 628026982 /nfs/dbraw/zinc/02/69/82/628026982.db2.gz JTCPOTSRVZWDHQ-NUEKZKHPSA-N 2 1 261.413 2.149 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CN2)C1 ZINC000902408534 634623602 /nfs/dbraw/zinc/62/36/02/634623602.db2.gz YQGIVGNNGWLVKZ-IRXDYDNUSA-N 2 1 287.451 2.069 20 0 CEADMP C[C@H]([NH3+])[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000925514865 628052527 /nfs/dbraw/zinc/05/25/27/628052527.db2.gz GQCLEUUMQSSOME-SDADXPQNSA-N 2 1 261.413 2.147 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C12CCCC2 ZINC000925517293 628062237 /nfs/dbraw/zinc/06/22/37/628062237.db2.gz KNUAWOCSZHSMHG-BFHYXJOUSA-N 2 1 266.429 2.454 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2ccc3cn[nH]c3c2)C1 ZINC000902385577 634628304 /nfs/dbraw/zinc/62/83/04/634628304.db2.gz VXMVNVVEEJCZMZ-OAHLLOKOSA-N 2 1 286.423 2.473 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000925531042 628131246 /nfs/dbraw/zinc/13/12/46/628131246.db2.gz WBZDRTYTFBTVND-CYBMUJFWSA-N 2 1 254.324 2.237 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000902394790 634634725 /nfs/dbraw/zinc/63/47/25/634634725.db2.gz BVGSEQMTKAHORR-IRXDYDNUSA-N 3 1 293.499 2.476 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000902394790 634634728 /nfs/dbraw/zinc/63/47/28/634634728.db2.gz BVGSEQMTKAHORR-IRXDYDNUSA-N 2 1 293.499 2.476 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000902394790 634634731 /nfs/dbraw/zinc/63/47/31/634634731.db2.gz BVGSEQMTKAHORR-IRXDYDNUSA-N 2 1 293.499 2.476 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000925549778 628196517 /nfs/dbraw/zinc/19/65/17/628196517.db2.gz JCOGKXZAWSSQSX-YOEHRIQHSA-N 2 1 284.407 2.145 20 0 CEADMP COc1cccc(OCCC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925580745 628258747 /nfs/dbraw/zinc/25/87/47/628258747.db2.gz METNECDEUYSMBD-CZUORRHYSA-N 2 1 278.396 2.194 20 0 CEADMP COc1cccc(OCCC[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000925580743 628258944 /nfs/dbraw/zinc/25/89/44/628258944.db2.gz METNECDEUYSMBD-BBRMVZONSA-N 2 1 278.396 2.194 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC000925586805 628265746 /nfs/dbraw/zinc/26/57/46/628265746.db2.gz FQWKPOKXASKNJT-CABCVRRESA-N 2 1 270.461 2.351 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000893305537 628283430 /nfs/dbraw/zinc/28/34/30/628283430.db2.gz VPFZTYDKTUCBBH-UHFFFAOYSA-N 2 1 266.772 2.397 20 0 CEADMP c1ccc([C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[C@@H]2CCOC2)cc1 ZINC000925613248 628296977 /nfs/dbraw/zinc/29/69/77/628296977.db2.gz BKXNMCPUGLBLEY-PTQIDZKGSA-N 2 1 298.430 2.350 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2C2CCOCC2)CC1 ZINC000893316282 628301315 /nfs/dbraw/zinc/30/13/15/628301315.db2.gz BIOXSCAAUBCRIZ-MRXNPFEDSA-N 2 1 266.429 2.219 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)C12CCC2 ZINC000925632862 628328637 /nfs/dbraw/zinc/32/86/37/628328637.db2.gz CKVPODZFWDLQEX-LSDHHAIUSA-N 2 1 286.375 2.264 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@](C)(O)c1ccccc1 ZINC000925642329 628340324 /nfs/dbraw/zinc/34/03/24/628340324.db2.gz FWPKCGTXBWPIJY-BPUTZDHNSA-N 2 1 262.397 2.014 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000902432791 634654613 /nfs/dbraw/zinc/65/46/13/634654613.db2.gz PXMXVSFETSFDQI-HOTGVXAUSA-N 2 1 276.428 2.433 20 0 CEADMP CSC1(CN[C@H]2CC[NH2+]C23CCCC3)CC[NH+](C)CC1 ZINC000925669531 628452486 /nfs/dbraw/zinc/45/24/86/628452486.db2.gz VDRFSVSSTMYBSH-AWEZNQCLSA-N 2 1 297.512 2.078 20 0 CEADMP C(COCC1CCCC1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925686672 628493610 /nfs/dbraw/zinc/49/36/10/628493610.db2.gz XCYAUPALNCFPRD-HNNXBMFYSA-N 2 1 266.429 2.458 20 0 CEADMP C[NH+]1C[C@]2(C)C[NH+](CCCc3ccncc3)C[C@@]2(C)C1 ZINC000931310645 628510591 /nfs/dbraw/zinc/51/05/91/628510591.db2.gz HADRDGREJNTMHR-IAGOWNOFSA-N 2 1 273.424 2.288 20 0 CEADMP C1CCC([C@H]2C[NH2+]CC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000925693214 628512418 /nfs/dbraw/zinc/51/24/18/628512418.db2.gz QAWQPPVRIWWYLL-OZSLIKBDSA-N 3 1 277.456 2.027 20 0 CEADMP C[C@@H]1NCCC[C@H]1[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925699906 628536546 /nfs/dbraw/zinc/53/65/46/628536546.db2.gz MADSQUPHIQTTSW-NUEKZKHPSA-N 2 1 261.413 2.197 20 0 CEADMP C[C@@H]1C[C@H](NCC2([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000902415182 634664355 /nfs/dbraw/zinc/66/43/55/634664355.db2.gz COVHJKXTGJIZMZ-GDBMZVCRSA-N 2 1 273.424 2.120 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccccn1 ZINC000925709764 628558166 /nfs/dbraw/zinc/55/81/66/628558166.db2.gz AAHBBYDCLCWVTH-UKRRQHHQSA-N 2 1 259.397 2.449 20 0 CEADMP c1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)cc1 ZINC000902473233 634665613 /nfs/dbraw/zinc/66/56/13/634665613.db2.gz VOZFFSZFPVRZJM-HYVNUMGLSA-N 2 1 271.408 2.138 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CC2 ZINC000902476224 634667181 /nfs/dbraw/zinc/66/71/81/634667181.db2.gz NRSRQIXCMPPHFL-HDEZJCGLSA-N 2 1 272.392 2.035 20 0 CEADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902478004 634668197 /nfs/dbraw/zinc/66/81/97/634668197.db2.gz WBFAKSWVGYVHIJ-YQPCPPDFSA-N 2 1 284.407 2.367 20 0 CEADMP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(C)C ZINC000902478994 634669433 /nfs/dbraw/zinc/66/94/33/634669433.db2.gz ZKQGZZTWYLGLPF-XLWJZTARSA-N 2 1 266.429 2.309 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](OC(F)F)C2)CC1 ZINC000893487400 628649687 /nfs/dbraw/zinc/64/96/87/628649687.db2.gz JFRBLAKWLDXDHX-GFCCVEGCSA-N 2 1 262.344 2.032 20 0 CEADMP CC(=O)OC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488238 628649720 /nfs/dbraw/zinc/64/97/20/628649720.db2.gz QQXHLHLFYUGUIH-GUTXKFCHSA-N 2 1 282.428 2.181 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCSCCC(F)(F)F ZINC000925733662 628689795 /nfs/dbraw/zinc/68/97/95/628689795.db2.gz KZONGYPLVVEMHR-SECBINFHSA-N 2 1 270.364 2.402 20 0 CEADMP CO[C@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000925734547 628692412 /nfs/dbraw/zinc/69/24/12/628692412.db2.gz AOSFUFWRBHXIPJ-DZUCGIPZSA-N 2 1 274.408 2.494 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)[C@@H]1CCC[NH2+]1 ZINC000925771167 628770153 /nfs/dbraw/zinc/77/01/53/628770153.db2.gz ABZQXIHGSFCXOK-RDBSUJKOSA-N 2 1 252.402 2.066 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469588 634687059 /nfs/dbraw/zinc/68/70/59/634687059.db2.gz YBISOMJAZHGNPJ-QFACEVIFSA-N 2 1 299.462 2.380 20 0 CEADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)C(C)C ZINC000925797713 628844330 /nfs/dbraw/zinc/84/43/30/628844330.db2.gz VDEFFSUBSYPFFU-KBPBESRZSA-N 2 1 254.418 2.169 20 0 CEADMP c1cc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)n(-c2ccccc2)n1 ZINC000925804263 628853603 /nfs/dbraw/zinc/85/36/03/628853603.db2.gz FROUTSLZNAZCDR-QGZVFWFLSA-N 2 1 296.418 2.289 20 0 CEADMP OCCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925814994 628870038 /nfs/dbraw/zinc/87/00/38/628870038.db2.gz RTCIULSWQRIBBA-ZNMIVQPWSA-N 2 1 277.412 2.119 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000925873262 628972291 /nfs/dbraw/zinc/97/22/91/628972291.db2.gz HIUQJOTYEAFAAE-JQFCIGGWSA-N 2 1 274.408 2.421 20 0 CEADMP CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)C2)n1 ZINC000925874403 628974930 /nfs/dbraw/zinc/97/49/30/628974930.db2.gz YZMOUDKYQNIWDV-JHJVBQTASA-N 2 1 290.411 2.142 20 0 CEADMP Cc1cccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261692442 629072474 /nfs/dbraw/zinc/07/24/74/629072474.db2.gz NMCFFTZLCLFLOR-UHFFFAOYSA-N 2 1 287.407 2.009 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2COCC2(C)C)cn1 ZINC000894197403 629201591 /nfs/dbraw/zinc/20/15/91/629201591.db2.gz SWMQRWGGIDZLPM-CQSZACIVSA-N 2 1 286.379 2.090 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000878166898 629223194 /nfs/dbraw/zinc/22/31/94/629223194.db2.gz JCHCVJIPNGJOBY-HUUCEWRRSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000878166898 629223197 /nfs/dbraw/zinc/22/31/97/629223197.db2.gz JCHCVJIPNGJOBY-HUUCEWRRSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261804490 629248752 /nfs/dbraw/zinc/24/87/52/629248752.db2.gz ZCLKOQDBEDPEQK-SJORKVTESA-N 2 1 291.414 2.256 20 0 CEADMP CC(C)CC[NH+]1CCC(N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000924964472 629303366 /nfs/dbraw/zinc/30/33/66/629303366.db2.gz PVBJWWSZGRAWSB-INIZCTEOSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCN(C3CC3)C2)CC1 ZINC000924964472 629303369 /nfs/dbraw/zinc/30/33/69/629303369.db2.gz PVBJWWSZGRAWSB-INIZCTEOSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@@H+](CCN[C@@H]1CCC[NH+]2CCCC[C@H]12)C1CCCC1 ZINC000924969292 629309160 /nfs/dbraw/zinc/30/91/60/629309160.db2.gz ILZDZXVHJRJXMD-IAGOWNOFSA-N 2 1 279.472 2.467 20 0 CEADMP C[NH+](CCN[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCCC1 ZINC000924969292 629309165 /nfs/dbraw/zinc/30/91/65/629309165.db2.gz ILZDZXVHJRJXMD-IAGOWNOFSA-N 2 1 279.472 2.467 20 0 CEADMP C[NH+](CCN[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCCC1 ZINC000924969292 629309170 /nfs/dbraw/zinc/30/91/70/629309170.db2.gz ILZDZXVHJRJXMD-IAGOWNOFSA-N 2 1 279.472 2.467 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000925021980 629367990 /nfs/dbraw/zinc/36/79/90/629367990.db2.gz DGHCXIOXWQTKHX-VIYLOZMYSA-N 2 1 298.496 2.240 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)n21 ZINC000261975186 629407690 /nfs/dbraw/zinc/40/76/90/629407690.db2.gz IQKWRVWVQYAADK-UHFFFAOYSA-N 2 1 284.407 2.218 20 0 CEADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(O)c(F)c2)C1 ZINC000894497322 629491714 /nfs/dbraw/zinc/49/17/14/629491714.db2.gz XECMIULGRQNWCR-DZGCQCFKSA-N 2 1 278.371 2.447 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(O)c(F)c2)C1 ZINC000894497322 629491718 /nfs/dbraw/zinc/49/17/18/629491718.db2.gz XECMIULGRQNWCR-DZGCQCFKSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(O)c(F)c2)C1 ZINC000894497322 629491723 /nfs/dbraw/zinc/49/17/23/629491723.db2.gz XECMIULGRQNWCR-DZGCQCFKSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(O)c(F)c2)C1 ZINC000894497322 629491724 /nfs/dbraw/zinc/49/17/24/629491724.db2.gz XECMIULGRQNWCR-DZGCQCFKSA-N 2 1 278.371 2.447 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)nc1 ZINC000894496794 629499053 /nfs/dbraw/zinc/49/90/53/629499053.db2.gz QRYFLPYXTDKOHS-XJKSGUPXSA-N 2 1 275.396 2.006 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)nc1 ZINC000894496794 629499055 /nfs/dbraw/zinc/49/90/55/629499055.db2.gz QRYFLPYXTDKOHS-XJKSGUPXSA-N 2 1 275.396 2.006 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)nc1 ZINC000894496794 629499060 /nfs/dbraw/zinc/49/90/60/629499060.db2.gz QRYFLPYXTDKOHS-XJKSGUPXSA-N 2 1 275.396 2.006 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)nc1 ZINC000894496794 629499063 /nfs/dbraw/zinc/49/90/63/629499063.db2.gz QRYFLPYXTDKOHS-XJKSGUPXSA-N 2 1 275.396 2.006 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000894559862 629526598 /nfs/dbraw/zinc/52/65/98/629526598.db2.gz YQROFUYBSQDLOK-WLYUNCDWSA-N 2 1 256.434 2.390 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000894559862 629526605 /nfs/dbraw/zinc/52/66/05/629526605.db2.gz YQROFUYBSQDLOK-WLYUNCDWSA-N 2 1 256.434 2.390 20 0 CEADMP Cn1ccnc1[C@@H]1[N@H+](CC2CC[NH+](C)CC2)CC1(C)C ZINC000894682557 629588513 /nfs/dbraw/zinc/58/85/13/629588513.db2.gz AMHSQLVPYAPVIV-AWEZNQCLSA-N 2 1 276.428 2.145 20 0 CEADMP Cn1ccnc1[C@@H]1[N@@H+](CC2CC[NH+](C)CC2)CC1(C)C ZINC000894682557 629588517 /nfs/dbraw/zinc/58/85/17/629588517.db2.gz AMHSQLVPYAPVIV-AWEZNQCLSA-N 2 1 276.428 2.145 20 0 CEADMP COc1nccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1F ZINC000894860940 629698298 /nfs/dbraw/zinc/69/82/98/629698298.db2.gz LHGNRXITMRFBFR-GFCCVEGCSA-N 2 1 281.375 2.051 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795919700 629711937 /nfs/dbraw/zinc/71/19/37/629711937.db2.gz UOUHLPPGUIBHCY-CQSZACIVSA-N 2 1 284.444 2.240 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795919700 629711944 /nfs/dbraw/zinc/71/19/44/629711944.db2.gz UOUHLPPGUIBHCY-CQSZACIVSA-N 2 1 284.444 2.240 20 0 CEADMP CCc1nc(N2CC[C@@H](CC[NH+](C)C)C2)cc(C)[nH+]1 ZINC000895324556 630111929 /nfs/dbraw/zinc/11/19/29/630111929.db2.gz IPOJQNMLOUCXAW-CYBMUJFWSA-N 2 1 262.401 2.125 20 0 CEADMP Cc1cnn(C)c1C[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895379565 630151178 /nfs/dbraw/zinc/15/11/78/630151178.db2.gz MGIFAQKWVWIION-CABCVRRESA-N 2 1 278.444 2.281 20 0 CEADMP Cc1cnn(C)c1C[N@@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895379565 630151180 /nfs/dbraw/zinc/15/11/80/630151180.db2.gz MGIFAQKWVWIION-CABCVRRESA-N 2 1 278.444 2.281 20 0 CEADMP COC(=O)c1c[nH]c(C[NH2+]CC[C@@H](C)[NH+](C)C)c1C1CC1 ZINC000895427214 630178343 /nfs/dbraw/zinc/17/83/43/630178343.db2.gz BREYITQWWWITGU-LLVKDONJSA-N 2 1 293.411 2.109 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCCC[NH+]1CCCCCC1 ZINC000895462162 630203745 /nfs/dbraw/zinc/20/37/45/630203745.db2.gz SFMXOOKOINECPA-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H](O)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000895472675 630209736 /nfs/dbraw/zinc/20/97/36/630209736.db2.gz JIEFPSDNYCRSJL-NKBFTAMNSA-N 2 1 274.408 2.323 20 0 CEADMP C[C@H](O)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000895472675 630209739 /nfs/dbraw/zinc/20/97/39/630209739.db2.gz JIEFPSDNYCRSJL-NKBFTAMNSA-N 2 1 274.408 2.323 20 0 CEADMP CCC[C@@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)OC ZINC000895558771 630249627 /nfs/dbraw/zinc/24/96/27/630249627.db2.gz ZYLLQJZHTVADNY-HOCLYGCPSA-N 2 1 277.412 2.407 20 0 CEADMP FC(F)(F)OCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000883428873 630589563 /nfs/dbraw/zinc/58/95/63/630589563.db2.gz FRAGTGUTVFYWES-NEPJUHHUSA-N 2 1 280.334 2.234 20 0 CEADMP CCO[C@H](C[NH2+]C[C@@H]1CCc2ccccc2C1)C[NH+](C)C ZINC000896876363 630698026 /nfs/dbraw/zinc/69/80/26/630698026.db2.gz DPZAVOJRDZORPC-CRAIPNDOSA-N 2 1 290.451 2.348 20 0 CEADMP CCO[C@@H](C[NH2+]C[C@@H](C)Cc1ccccc1)C[NH+](C)C ZINC000896880531 630699437 /nfs/dbraw/zinc/69/94/37/630699437.db2.gz XBFNEMZFNUFWQW-RDJZCZTQSA-N 2 1 278.440 2.422 20 0 CEADMP C[N@@H+](CCCCNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC000909556575 630771015 /nfs/dbraw/zinc/77/10/15/630771015.db2.gz TXWRKMRAXUIQDR-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP CCO[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000897069171 630916363 /nfs/dbraw/zinc/91/63/63/630916363.db2.gz QMYFLUDDFMMGQD-KRWDZBQOSA-N 2 1 292.423 2.238 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(CO)o3)C2)CC1 ZINC000798957322 630957050 /nfs/dbraw/zinc/95/70/50/630957050.db2.gz TUZXCXGULIQGJA-UHFFFAOYSA-N 2 1 278.396 2.080 20 0 CEADMP C[N@H+](Cc1nccn1Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320536 635568263 /nfs/dbraw/zinc/56/82/63/635568263.db2.gz KQKWUVGZDXFTTR-IYBDPMFKSA-N 2 1 284.407 2.101 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000314711182 631063446 /nfs/dbraw/zinc/06/34/46/631063446.db2.gz DASBFWWACTYUBZ-MRXNPFEDSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904333475 635577597 /nfs/dbraw/zinc/57/75/97/635577597.db2.gz AKRSKKGQMKNFBI-MRXNPFEDSA-N 2 1 260.381 2.182 20 0 CEADMP CC(C)[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000985568915 631142860 /nfs/dbraw/zinc/14/28/60/631142860.db2.gz RPNHXMRBUWSCIV-UHFFFAOYSA-N 2 1 295.471 2.192 20 0 CEADMP COc1cccc2cc(C[NH2+]CCC[NH+](C)C)oc21 ZINC000034994822 631152415 /nfs/dbraw/zinc/15/24/15/631152415.db2.gz ZFALKSPUDXWREM-UHFFFAOYSA-N 2 1 262.353 2.483 20 0 CEADMP CC[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806139714 631719945 /nfs/dbraw/zinc/71/99/45/631719945.db2.gz QTOWMVQTHSFSJQ-FVQBIDKESA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000806539350 631751104 /nfs/dbraw/zinc/75/11/04/631751104.db2.gz AOAOPCUKZNDUON-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3nonc3c2)[C@@H](C)C1 ZINC000897991791 632009169 /nfs/dbraw/zinc/00/91/69/632009169.db2.gz UHJNCKPMFUQZFN-AAEUAGOBSA-N 2 1 274.368 2.043 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3nonc3c2)[C@@H](C)C1 ZINC000897991791 632009172 /nfs/dbraw/zinc/00/91/72/632009172.db2.gz UHJNCKPMFUQZFN-AAEUAGOBSA-N 2 1 274.368 2.043 20 0 CEADMP CCC[NH+]1CCC(NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000898034928 632027697 /nfs/dbraw/zinc/02/76/97/632027697.db2.gz CGRFIYFKSUTXBL-UHFFFAOYSA-N 2 1 267.461 2.182 20 0 CEADMP C[NH+](C)[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)C1(C)C ZINC000898100753 632064437 /nfs/dbraw/zinc/06/44/37/632064437.db2.gz FKBGULIANMICGK-RRFJBIMHSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](C[NH2+]Cc1cnc([C@H](C)O)s1)C[NH+]1CCCC1 ZINC000809606804 632110233 /nfs/dbraw/zinc/11/02/33/632110233.db2.gz FKAPHDUHOMYYMQ-NEPJUHHUSA-N 2 1 283.441 2.018 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000810263503 632199875 /nfs/dbraw/zinc/19/98/75/632199875.db2.gz OITBVVHNEICCBR-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000810263503 632199878 /nfs/dbraw/zinc/19/98/78/632199878.db2.gz OITBVVHNEICCBR-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000866487637 632315837 /nfs/dbraw/zinc/31/58/37/632315837.db2.gz DCGPEWUNGUWOEW-YHQUGGNUSA-N 2 1 254.443 2.343 20 0 CEADMP CCO[C@@H](C[NH2+][C@H](c1ccccn1)C(C)C)CN(C)C ZINC000926957351 632384464 /nfs/dbraw/zinc/38/44/64/632384464.db2.gz ACBPRVFLSSIOCO-HOCLYGCPSA-N 2 1 279.428 2.335 20 0 CEADMP CCO[C@@H](C[NH2+][C@H](C)CCC(F)(F)F)C[NH+](C)C ZINC000926961523 632388189 /nfs/dbraw/zinc/38/81/89/632388189.db2.gz PIPUZIIFTDAVFC-MNOVXSKESA-N 2 1 270.339 2.274 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CC[C@H]1C(C)(C)C)C[NH+](C)C ZINC000926964636 632394775 /nfs/dbraw/zinc/39/47/75/632394775.db2.gz YCXGDHZRLAAUME-MGPQQGTHSA-N 2 1 256.434 2.367 20 0 CEADMP CCO[C@H](C[NH2+][C@H](C)c1cccc(O)c1)CN(C)C ZINC000926966977 632397506 /nfs/dbraw/zinc/39/75/06/632397506.db2.gz YZKOGGRQJHEGSB-IUODEOHRSA-N 2 1 266.385 2.010 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)[C@@H]1CCOC1 ZINC000873237155 632413082 /nfs/dbraw/zinc/41/30/82/632413082.db2.gz MTEAHZFGKYKQDY-RDBSUJKOSA-N 2 1 254.418 2.169 20 0 CEADMP C[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCCO1 ZINC000927016397 632417390 /nfs/dbraw/zinc/41/73/90/632417390.db2.gz FOYLUGPPBYBHDB-HNNXBMFYSA-N 2 1 252.402 2.162 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC000811967889 632470643 /nfs/dbraw/zinc/47/06/43/632470643.db2.gz XPIDPNZUBAZJOS-AWEZNQCLSA-N 2 1 294.443 2.208 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC000811967889 632470647 /nfs/dbraw/zinc/47/06/47/632470647.db2.gz XPIDPNZUBAZJOS-AWEZNQCLSA-N 2 1 294.443 2.208 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000898512157 632523723 /nfs/dbraw/zinc/52/37/23/632523723.db2.gz IGZMORVIDZIFSJ-IAGOWNOFSA-N 2 1 280.456 2.467 20 0 CEADMP C[C@@H](NC(=[NH2+])NCC[N@H+]1CCCC(C)(C)C1)C1CC1 ZINC000899271663 632768975 /nfs/dbraw/zinc/76/89/75/632768975.db2.gz JTMNYEOYSOYHAY-GFCCVEGCSA-N 2 1 266.433 2.021 20 0 CEADMP [NH3+]C[C@H](c1nc(C2([NH3+])CC2)no1)C1CCCCCC1 ZINC000900017452 633180216 /nfs/dbraw/zinc/18/02/16/633180216.db2.gz IBBFMJRHMDKVSZ-NSHDSACASA-N 2 1 264.373 2.030 20 0 CEADMP C[C@H](O)c1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)s1 ZINC000817864637 633746647 /nfs/dbraw/zinc/74/66/47/633746647.db2.gz BGMDKNQDVUGWCC-WYUUTHIRSA-N 2 1 283.441 2.002 20 0 CEADMP C[C@H](O)c1ncc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)s1 ZINC000817864637 633746655 /nfs/dbraw/zinc/74/66/55/633746655.db2.gz BGMDKNQDVUGWCC-WYUUTHIRSA-N 2 1 283.441 2.002 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1c[nH+]ccc1N ZINC000817890775 633753369 /nfs/dbraw/zinc/75/33/69/633753369.db2.gz YRZGTQCDJJCLBP-ZUZCIYMTSA-N 2 1 275.327 2.017 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000817893648 633755130 /nfs/dbraw/zinc/75/51/30/633755130.db2.gz HVZYHPBZLVYWSP-HOTGVXAUSA-N 2 1 287.407 2.173 20 0 CEADMP Cc1cccc(F)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817898010 633759258 /nfs/dbraw/zinc/75/92/58/633759258.db2.gz YQQZGJDYFRHXIF-HYVNUMGLSA-N 2 1 292.398 2.381 20 0 CEADMP C[C@H]([NH2+]CCNc1ccccc1)c1c[nH+]ccc1N ZINC000817898881 633760496 /nfs/dbraw/zinc/76/04/96/633760496.db2.gz CAYUZMKFDJFFER-LBPRGKRZSA-N 2 1 256.353 2.257 20 0 CEADMP CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccco1)[C@@H]1CCC[NH2+]1 ZINC000817913397 633771239 /nfs/dbraw/zinc/77/12/39/633771239.db2.gz OMAVHGOVHRYBLL-XUXIUFHCSA-N 2 1 266.385 2.212 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000817916476 633774553 /nfs/dbraw/zinc/77/45/53/633774553.db2.gz FHNXPUBDWOJFKU-KBMXLJTQSA-N 2 1 274.408 2.088 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(N2CCCC2=O)cc1 ZINC000817959403 633800482 /nfs/dbraw/zinc/80/04/82/633800482.db2.gz DFMVKOJZWRRVOV-GFCCVEGCSA-N 2 1 275.396 2.201 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(N2CCOC2=O)cc1 ZINC000817960803 633802668 /nfs/dbraw/zinc/80/26/68/633802668.db2.gz QNQVFWSWSXUTHW-NSHDSACASA-N 2 1 277.368 2.031 20 0 CEADMP COCc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1OC ZINC000817977748 633821943 /nfs/dbraw/zinc/82/19/43/633821943.db2.gz OAOYTQBJKRMMST-WOPDTQHZSA-N 2 1 266.385 2.228 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]CC1(O)CCCCC1 ZINC000819100799 634068017 /nfs/dbraw/zinc/06/80/17/634068017.db2.gz ILKIRRPTIRQMLZ-UHFFFAOYSA-N 2 1 265.401 2.257 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2c(F)cccc2F)C1 ZINC000819133605 634078258 /nfs/dbraw/zinc/07/82/58/634078258.db2.gz TZVBHAHSOFGBFA-LALPHHSUSA-N 2 1 298.377 2.461 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)C1=CC[N@@H+](C)CC1 ZINC000819220277 634108063 /nfs/dbraw/zinc/10/80/63/634108063.db2.gz LIFFIVQGYWSISG-ZBEGNZNMSA-N 2 1 296.361 2.238 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCSCC1 ZINC000237514487 634111120 /nfs/dbraw/zinc/11/11/20/634111120.db2.gz LCQWARHGPJARLB-LLVKDONJSA-N 2 1 253.415 2.313 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC000819366029 634156651 /nfs/dbraw/zinc/15/66/51/634156651.db2.gz HFPNJNJDCOCLOX-CZUORRHYSA-N 2 1 280.387 2.181 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000819366308 634156835 /nfs/dbraw/zinc/15/68/35/634156835.db2.gz NHKSZQWBILMUCF-LRDDRELGSA-N 2 1 298.377 2.320 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]CC2(O)CCCCC2)C1 ZINC000819366675 634157256 /nfs/dbraw/zinc/15/72/56/634157256.db2.gz SGFRKAIFMJMKFR-CQSZACIVSA-N 2 1 254.418 2.003 20 0 CEADMP Cc1ccc(NC(=O)C[NH+]2CCCC2)c(C[NH+](C)C)c1 ZINC000819992082 634308148 /nfs/dbraw/zinc/30/81/48/634308148.db2.gz HXBHPJYUMUVJII-UHFFFAOYSA-N 2 1 275.396 2.091 20 0 CEADMP CC[N@H+](CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)C ZINC000902787063 634832713 /nfs/dbraw/zinc/83/27/13/634832713.db2.gz WILKSKIVUAXOOY-RFBLXINOSA-N 2 1 266.429 2.120 20 0 CEADMP CC[N@@H+](CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)C ZINC000902787063 634832714 /nfs/dbraw/zinc/83/27/14/634832714.db2.gz WILKSKIVUAXOOY-RFBLXINOSA-N 2 1 266.429 2.120 20 0 CEADMP C([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000902793933 634836697 /nfs/dbraw/zinc/83/66/97/634836697.db2.gz OXRAEDUAQMCLDO-YIDVYQOGSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000902793933 634836700 /nfs/dbraw/zinc/83/67/00/634836700.db2.gz OXRAEDUAQMCLDO-YIDVYQOGSA-N 2 1 264.413 2.018 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCOC12CCCC2 ZINC000903067422 634953309 /nfs/dbraw/zinc/95/33/09/634953309.db2.gz PSLKSDDTBHWVIJ-CQSZACIVSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903069749 634965952 /nfs/dbraw/zinc/96/59/52/634965952.db2.gz ZHUIAWLCFZDNKP-DUZACMNTSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H]1CCC[NH+](CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903069749 634965954 /nfs/dbraw/zinc/96/59/54/634965954.db2.gz ZHUIAWLCFZDNKP-DUZACMNTSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H]1CCC[NH+](CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903069749 634965956 /nfs/dbraw/zinc/96/59/56/634965956.db2.gz ZHUIAWLCFZDNKP-DUZACMNTSA-N 2 1 291.483 2.466 20 0 CEADMP CC[C@@H]([NH3+])c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000822723548 634980990 /nfs/dbraw/zinc/98/09/90/634980990.db2.gz XQBCBBTUZDCWTM-CYBMUJFWSA-N 2 1 290.367 2.087 20 0 CEADMP OCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903132380 634985314 /nfs/dbraw/zinc/98/53/14/634985314.db2.gz PKTGIEIWXWUJPO-VHRNVKJDSA-N 2 1 266.429 2.287 20 0 CEADMP OC[C@H](CC1CCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903164306 634995149 /nfs/dbraw/zinc/99/51/49/634995149.db2.gz KYTNBSRLQLTLBH-AZZBFNOKSA-N 2 1 278.440 2.285 20 0 CEADMP C[C@H](CCO)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903177672 634999951 /nfs/dbraw/zinc/99/99/51/634999951.db2.gz RAZWUWDVLFCPSD-WYQXTGKHSA-N 2 1 266.429 2.142 20 0 CEADMP OCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903191561 635014178 /nfs/dbraw/zinc/01/41/78/635014178.db2.gz BXZVZXGNVBGIRZ-ZNXRZULTSA-N 2 1 286.419 2.426 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H](O)C(F)(F)F ZINC000903214029 635018692 /nfs/dbraw/zinc/01/86/92/635018692.db2.gz WGYWDARSEPSVDN-CXAZCAKZSA-N 2 1 292.345 2.046 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](O)C(F)(F)F ZINC000903214029 635018696 /nfs/dbraw/zinc/01/86/96/635018696.db2.gz WGYWDARSEPSVDN-CXAZCAKZSA-N 2 1 292.345 2.046 20 0 CEADMP c1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)sn1 ZINC000903217214 635020857 /nfs/dbraw/zinc/02/08/57/635020857.db2.gz RKEUYZWIAKEVAY-QXMXGUDHSA-N 2 1 277.437 2.433 20 0 CEADMP OC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903290205 635053097 /nfs/dbraw/zinc/05/30/97/635053097.db2.gz SXDBHLIQPACMAA-FGTMMUONSA-N 2 1 288.435 2.197 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903382506 635095080 /nfs/dbraw/zinc/09/50/80/635095080.db2.gz FXOKPMQQRUIUDU-HLLBOEOZSA-N 2 1 291.439 2.479 20 0 CEADMP Cc1cccc(OCC[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903430635 635113743 /nfs/dbraw/zinc/11/37/43/635113743.db2.gz YUSIQXYHJSPIQO-CABCVRRESA-N 2 1 262.397 2.161 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000903461480 635126847 /nfs/dbraw/zinc/12/68/47/635126847.db2.gz VBHRSAYYQYUTST-OLMNGRFOSA-N 2 1 266.429 2.251 20 0 CEADMP c1cc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2[nH]1 ZINC000903452637 635135704 /nfs/dbraw/zinc/13/57/04/635135704.db2.gz OUKVEYHPNKWJKF-CABCVRRESA-N 2 1 255.365 2.352 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903454840 635138130 /nfs/dbraw/zinc/13/81/30/635138130.db2.gz KJUCLHMQWIZURV-HKLHZYFVSA-N 2 1 258.356 2.254 20 0 CEADMP FC(F)(F)SCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472308 635142372 /nfs/dbraw/zinc/14/23/72/635142372.db2.gz RQJCEBKNYZDQLC-MRVPVSSYSA-N 2 1 254.321 2.114 20 0 CEADMP c1ccc2c(CC[NH2+][C@@H]3CC[NH2+]C34CCC4)noc2c1 ZINC000903472686 635143587 /nfs/dbraw/zinc/14/35/87/635143587.db2.gz UTYBALOPJDJEOQ-OAHLLOKOSA-N 2 1 271.364 2.245 20 0 CEADMP COC[C@H](C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000903481906 635150264 /nfs/dbraw/zinc/15/02/64/635150264.db2.gz PZZSYVKXRVSXBS-HOTGVXAUSA-N 2 1 268.445 2.371 20 0 CEADMP COC(=O)[C@@H](c1ccccc1C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499719 635154311 /nfs/dbraw/zinc/15/43/11/635154311.db2.gz MGILZESXXYNLOD-IIAWOOMASA-N 2 1 290.407 2.126 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nccn2Cc2ccccc2)C[C@H]1CC[NH3+] ZINC000903497426 635157112 /nfs/dbraw/zinc/15/71/12/635157112.db2.gz WHSNFQQMHYBBIW-NVXWUHKLSA-N 2 1 298.434 2.348 20 0 CEADMP c1csc(C[C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000903565015 635164867 /nfs/dbraw/zinc/16/48/67/635164867.db2.gz CCUVNNDYZBDVEN-ZIAGYGMSSA-N 2 1 279.453 2.397 20 0 CEADMP CC[N@@H+](CCc1cccs1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722713 635235917 /nfs/dbraw/zinc/23/59/17/635235917.db2.gz NZSYZQGYDJCNGF-HOCLYGCPSA-N 2 1 294.464 2.381 20 0 CEADMP C[N@@H+](CCc1ccc(F)cc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723013 635236182 /nfs/dbraw/zinc/23/61/82/635236182.db2.gz RYRLPOGTHLXMDH-SJORKVTESA-N 2 1 292.398 2.069 20 0 CEADMP CC[N@@H+](CCC(F)(F)F)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903726958 635239192 /nfs/dbraw/zinc/23/91/92/635239192.db2.gz PNXVXZHDRUZDDB-VXGBXAGGSA-N 2 1 280.334 2.029 20 0 CEADMP COC1CCC([N@@H+](C)C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903729562 635240843 /nfs/dbraw/zinc/24/08/43/635240843.db2.gz OVDKZSXCXIBKPK-WLYUNCDWSA-N 2 1 254.418 2.266 20 0 CEADMP CC1([NH3+])CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000903745806 635245844 /nfs/dbraw/zinc/24/58/44/635245844.db2.gz RLAPUCHLRRKCMQ-GHMZBOCLSA-N 2 1 280.334 2.300 20 0 CEADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCCC2(CCCC2)C1 ZINC000903751586 635248974 /nfs/dbraw/zinc/24/89/74/635248974.db2.gz GYLYDDUEICNMRP-NVXWUHKLSA-N 2 1 278.440 2.411 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000903740591 635253399 /nfs/dbraw/zinc/25/33/99/635253399.db2.gz XMUXCPINFLIUID-DLBZAZTESA-N 3 1 279.472 2.326 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000903740591 635253400 /nfs/dbraw/zinc/25/34/00/635253400.db2.gz XMUXCPINFLIUID-DLBZAZTESA-N 3 1 279.472 2.326 20 0 CEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903760253 635255737 /nfs/dbraw/zinc/25/57/37/635255737.db2.gz WLRZEEZBJIPHNH-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903760255 635256312 /nfs/dbraw/zinc/25/63/12/635256312.db2.gz WLRZEEZBJIPHNH-RRFJBIMHSA-N 2 1 266.429 2.266 20 0 CEADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCCC[C@H]1C1CCC1 ZINC000903764336 635257357 /nfs/dbraw/zinc/25/73/57/635257357.db2.gz RNQDKDRYAAGPAN-IXDOHACOSA-N 2 1 278.440 2.410 20 0 CEADMP Oc1cccc2c1CC[N@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903771572 635260720 /nfs/dbraw/zinc/26/07/20/635260720.db2.gz YFFMJNZESAEOIT-ZDUSSCGKSA-N 2 1 260.381 2.140 20 0 CEADMP Oc1cccc2c1CC[N@@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903771572 635260723 /nfs/dbraw/zinc/26/07/23/635260723.db2.gz YFFMJNZESAEOIT-ZDUSSCGKSA-N 2 1 260.381 2.140 20 0 CEADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903785889 635269709 /nfs/dbraw/zinc/26/97/09/635269709.db2.gz AOTSSGULSUIHQK-UXLLHSPISA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C[C@H]1C[NH3+] ZINC000903788036 635269945 /nfs/dbraw/zinc/26/99/45/635269945.db2.gz ARBXHUNDRJTPGG-DDHJBXDOSA-N 2 1 280.334 2.013 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCOC[C@@H]2CCCO2)CCC1 ZINC000903815647 635272863 /nfs/dbraw/zinc/27/28/63/635272863.db2.gz SKUUSXGJIUVFMQ-JKSUJKDBSA-N 2 1 296.455 2.166 20 0 CEADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[N@H+](CC)Cc1ccccc1 ZINC000903796069 635274872 /nfs/dbraw/zinc/27/48/72/635274872.db2.gz RXYWSDBAAIMTGQ-CVEARBPZSA-N 2 1 290.407 2.050 20 0 CEADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[N@@H+](CC)Cc1ccccc1 ZINC000903796069 635274877 /nfs/dbraw/zinc/27/48/77/635274877.db2.gz RXYWSDBAAIMTGQ-CVEARBPZSA-N 2 1 290.407 2.050 20 0 CEADMP CC1(C)CO[C@H](C[N@@H+]2CCC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000903800806 635278277 /nfs/dbraw/zinc/27/82/77/635278277.db2.gz IDSOGTRFEGXFAG-KCQAQPDRSA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000903800806 635278281 /nfs/dbraw/zinc/27/82/81/635278281.db2.gz IDSOGTRFEGXFAG-KCQAQPDRSA-N 2 1 252.402 2.005 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H](O)CC1CCCC1 ZINC000903804257 635281118 /nfs/dbraw/zinc/28/11/18/635281118.db2.gz CWUVFECLQNFWHB-HRCADAONSA-N 2 1 266.429 2.131 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H](O)CC1CCCC1 ZINC000903804257 635281120 /nfs/dbraw/zinc/28/11/20/635281120.db2.gz CWUVFECLQNFWHB-HRCADAONSA-N 2 1 266.429 2.131 20 0 CEADMP C(C[N@H+]1CC[NH2+]CCC12CCOCC2)C1CCC1 ZINC000903818889 635287709 /nfs/dbraw/zinc/28/77/09/635287709.db2.gz XKNRDBVSWHXGKQ-UHFFFAOYSA-N 2 1 252.402 2.021 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCSC(F)(F)F)C2 ZINC000903840767 635299629 /nfs/dbraw/zinc/29/96/29/635299629.db2.gz UIKIENCGOOVVKF-CIUDSAMLSA-N 2 1 254.321 2.051 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cnc(-c3ccccc3)nc1)C2 ZINC000903842767 635301700 /nfs/dbraw/zinc/30/17/00/635301700.db2.gz UIAFNEZZUCIVFP-JQFCIGGWSA-N 2 1 294.402 2.455 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCCOc1ccccc1 ZINC000903854373 635305254 /nfs/dbraw/zinc/30/52/54/635305254.db2.gz JRBWYAZDISXMLK-ZBFHGGJFSA-N 2 1 260.381 2.269 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCCOc1ccccc1 ZINC000903854373 635305257 /nfs/dbraw/zinc/30/52/57/635305257.db2.gz JRBWYAZDISXMLK-ZBFHGGJFSA-N 2 1 260.381 2.269 20 0 CEADMP COc1cccc(CCC[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903857392 635307819 /nfs/dbraw/zinc/30/78/19/635307819.db2.gz UVXCMRSCHXDUGF-DOTOQJQBSA-N 2 1 274.408 2.441 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903857392 635307824 /nfs/dbraw/zinc/30/78/24/635307824.db2.gz UVXCMRSCHXDUGF-DOTOQJQBSA-N 2 1 274.408 2.441 20 0 CEADMP COc1cccc(CCC[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903857395 635307879 /nfs/dbraw/zinc/30/78/79/635307879.db2.gz UVXCMRSCHXDUGF-RDJZCZTQSA-N 2 1 274.408 2.441 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903857395 635307885 /nfs/dbraw/zinc/30/78/85/635307885.db2.gz UVXCMRSCHXDUGF-RDJZCZTQSA-N 2 1 274.408 2.441 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2Cc1ccc2c(c1)CCC2 ZINC000903857628 635309142 /nfs/dbraw/zinc/30/91/42/635309142.db2.gz VWWVDOFLEKMJFQ-IRXDYDNUSA-N 2 1 256.393 2.489 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2Cc1ccc2c(c1)CCC2 ZINC000903857628 635309150 /nfs/dbraw/zinc/30/91/50/635309150.db2.gz VWWVDOFLEKMJFQ-IRXDYDNUSA-N 2 1 256.393 2.489 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]3CC[C@]32C[NH3+])c1C ZINC000903858811 635310414 /nfs/dbraw/zinc/31/04/14/635310414.db2.gz ZSVSWNOAPZTNKT-CJNGLKHVSA-N 2 1 275.396 2.020 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CCC[C@@]23CC[NH2+]C3)C(C)(C)O1 ZINC000903869310 635318244 /nfs/dbraw/zinc/31/82/44/635318244.db2.gz GWJSUPKKUDJFHI-CJNGLKHVSA-N 2 1 266.429 2.408 20 0 CEADMP COc1cc(C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1O ZINC000903878676 635323898 /nfs/dbraw/zinc/32/38/98/635323898.db2.gz KUGKELPYEZGUOX-GOOCMWNKSA-N 2 1 290.407 2.363 20 0 CEADMP C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903879618 635324834 /nfs/dbraw/zinc/32/48/34/635324834.db2.gz FWNLAZMOMCDGAQ-ILXRZTDVSA-N 2 1 291.443 2.213 20 0 CEADMP OCCC[N@H+](Cc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903892528 635329110 /nfs/dbraw/zinc/32/91/10/635329110.db2.gz UJPHVQIXFHPREU-AYHJJNSGSA-N 2 1 288.435 2.402 20 0 CEADMP COC(=O)CC[N@@H+](Cc1cccc2c1CC[NH2+]C2)C(C)C ZINC000903893066 635329588 /nfs/dbraw/zinc/32/95/88/635329588.db2.gz PQGBNEGCPXVDHY-UHFFFAOYSA-N 2 1 290.407 2.106 20 0 CEADMP COCC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H]1CC[C@@H](C)C1 ZINC000903912920 635345866 /nfs/dbraw/zinc/34/58/66/635345866.db2.gz KDSUAPOQXBHJCE-UTUOFQBUSA-N 2 1 264.360 2.106 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000903913905 635346977 /nfs/dbraw/zinc/34/69/77/635346977.db2.gz FLLPAWZEBFVZJH-YQAQFAQXSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H](C[NH2+]C[C@H]([NH3+])CC(F)F)Cc1cccs1 ZINC000903925993 635352547 /nfs/dbraw/zinc/35/25/47/635352547.db2.gz QNIVGAFRANAKFN-VHSXEESVSA-N 2 1 262.369 2.499 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000903959979 635368943 /nfs/dbraw/zinc/36/89/43/635368943.db2.gz UHBQRZAVCPPMIX-MRXNPFEDSA-N 2 1 275.396 2.061 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC000903946283 635377508 /nfs/dbraw/zinc/37/75/08/635377508.db2.gz NBWYGYXVHPSPAA-UHFFFAOYSA-N 2 1 272.396 2.346 20 0 CEADMP CCC1([NH3+])CC[NH+]([C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000903947971 635380454 /nfs/dbraw/zinc/38/04/54/635380454.db2.gz JWROSJMEEQKRCG-RBSFLKMASA-N 3 1 265.445 2.110 20 0 CEADMP COc1ccsc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955516 635389340 /nfs/dbraw/zinc/38/93/40/635389340.db2.gz UFGYOGKROCSODI-SECBINFHSA-N 2 1 276.352 2.091 20 0 CEADMP C[C@@H](Cc1ccsc1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973132 635391946 /nfs/dbraw/zinc/39/19/46/635391946.db2.gz OXIHNOBXRXFIGL-DZGCQCFKSA-N 2 1 294.464 2.427 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)ccc1F ZINC000903964637 635399161 /nfs/dbraw/zinc/39/91/61/635399161.db2.gz MSKANTCIAWULHK-KOLCDFICSA-N 2 1 256.752 2.424 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c(Cl)c1OC ZINC000903965195 635399877 /nfs/dbraw/zinc/39/98/77/635399877.db2.gz ZUAGKXFJCQMVCN-PWSUYJOCSA-N 2 1 298.814 2.302 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000903965142 635400149 /nfs/dbraw/zinc/40/01/49/635400149.db2.gz XHWGDZDHPNNOIK-MNOVXSKESA-N 2 1 292.814 2.172 20 0 CEADMP COCC[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C1CCCC1 ZINC000904310060 635558892 /nfs/dbraw/zinc/55/88/92/635558892.db2.gz VLVJYLAERJBSNF-HNNXBMFYSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904313252 635560399 /nfs/dbraw/zinc/56/03/99/635560399.db2.gz XQTHTYDYUORMGL-RDJZCZTQSA-N 2 1 276.424 2.259 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314404 635561668 /nfs/dbraw/zinc/56/16/68/635561668.db2.gz WDQHJPXJDDVJDT-TWMKSMIVSA-N 3 1 279.472 2.310 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314404 635561670 /nfs/dbraw/zinc/56/16/70/635561670.db2.gz WDQHJPXJDDVJDT-TWMKSMIVSA-N 3 1 279.472 2.310 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314404 635561677 /nfs/dbraw/zinc/56/16/77/635561677.db2.gz WDQHJPXJDDVJDT-TWMKSMIVSA-N 3 1 279.472 2.310 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314404 635561684 /nfs/dbraw/zinc/56/16/84/635561684.db2.gz WDQHJPXJDDVJDT-TWMKSMIVSA-N 2 1 279.472 2.310 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314404 635561687 /nfs/dbraw/zinc/56/16/87/635561687.db2.gz WDQHJPXJDDVJDT-TWMKSMIVSA-N 2 1 279.472 2.310 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)C1 ZINC000904313754 635562352 /nfs/dbraw/zinc/56/23/52/635562352.db2.gz ZQHPJDSGDULFPD-IXDOHACOSA-N 2 1 274.408 2.405 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@]1(C)CCC[NH2+]C1 ZINC000904325416 635571937 /nfs/dbraw/zinc/57/19/37/635571937.db2.gz YMBHLOMLFMUJKF-JKSUJKDBSA-N 2 1 267.461 2.182 20 0 CEADMP CC(C)CO[C@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904327245 635573321 /nfs/dbraw/zinc/57/33/21/635573321.db2.gz AGLRYEWMQHMPKY-LSDHHAIUSA-N 2 1 254.418 2.123 20 0 CEADMP CCO[C@H]1C[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC000904329392 635574555 /nfs/dbraw/zinc/57/45/55/635574555.db2.gz YIQHWTITGADHGA-CRWXNKLISA-N 2 1 252.402 2.003 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000904347223 635582958 /nfs/dbraw/zinc/58/29/58/635582958.db2.gz FRFICQBAJDLZNI-OTVXOJSOSA-N 3 1 288.439 2.136 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3ccc(F)c(F)c3C2)C1 ZINC000904346609 635583191 /nfs/dbraw/zinc/58/31/91/635583191.db2.gz WFJRQYJXHNHLSO-JGZJWPJOSA-N 2 1 252.308 2.060 20 0 CEADMP C[C@@H]([NH3+])c1ccc(CNC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904350838 635584214 /nfs/dbraw/zinc/58/42/14/635584214.db2.gz QFIFHMPWTZIPLF-CZUORRHYSA-N 2 1 261.413 2.186 20 0 CEADMP CC(C)(C)CC[C@H](N)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000904350276 635584642 /nfs/dbraw/zinc/58/46/42/635584642.db2.gz JXLPAXFSEVVKDR-JYJNAYRXSA-N 2 1 281.488 2.462 20 0 CEADMP CC(C)(C)CC[C@H](N)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000904350276 635584644 /nfs/dbraw/zinc/58/46/44/635584644.db2.gz JXLPAXFSEVVKDR-JYJNAYRXSA-N 2 1 281.488 2.462 20 0 CEADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904359630 635588993 /nfs/dbraw/zinc/58/89/93/635588993.db2.gz QHMBTJVNSZREGL-ZENOOKHLSA-N 2 1 284.407 2.448 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1C ZINC000904358703 635590573 /nfs/dbraw/zinc/59/05/73/635590573.db2.gz RNAHLHZVRSGFBC-MRXNPFEDSA-N 2 1 290.407 2.389 20 0 CEADMP CC(C)C[N@@H+](Cc1cnn(C)c1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904371479 635593841 /nfs/dbraw/zinc/59/38/41/635593841.db2.gz OCEGHJJWCMDERH-INIZCTEOSA-N 2 1 278.444 2.268 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(C[NH3+])cc1)CC[NH2+]CC2 ZINC000904374556 635595653 /nfs/dbraw/zinc/59/56/53/635595653.db2.gz UDGCZESODKNBBT-AWEZNQCLSA-N 3 1 273.424 2.109 20 0 CEADMP CCc1noc(CC)c1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904363819 635596778 /nfs/dbraw/zinc/59/67/78/635596778.db2.gz NRFFZXYXUJQBBF-OAHLLOKOSA-N 2 1 265.401 2.279 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)[C@H]1CC[NH3+] ZINC000904375709 635601437 /nfs/dbraw/zinc/60/14/37/635601437.db2.gz GOGDAXHOLYMPEK-CJNGLKHVSA-N 3 1 261.413 2.095 20 0 CEADMP COc1cccc2c1OCC[C@@H]2[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904377465 635603289 /nfs/dbraw/zinc/60/32/89/635603289.db2.gz PYEXKNHLJKJROM-YOEHRIQHSA-N 2 1 290.407 2.498 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904385341 635607319 /nfs/dbraw/zinc/60/73/19/635607319.db2.gz VYFHESWAJSYBLW-KRWDZBQOSA-N 3 1 275.440 2.342 20 0 CEADMP C[N@H+]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)CC1(C)C ZINC000904386066 635608157 /nfs/dbraw/zinc/60/81/57/635608157.db2.gz OAXHHSPFXFOOAW-ZDUSSCGKSA-N 2 1 255.450 2.166 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3cc(F)c(F)cc3C2)C1 ZINC000904386128 635608625 /nfs/dbraw/zinc/60/86/25/635608625.db2.gz PMUOSUALXRQOEN-WVSHTKLVSA-N 2 1 252.308 2.060 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1F ZINC000904409648 635615424 /nfs/dbraw/zinc/61/54/24/635615424.db2.gz FHVKYKYXRJCDLV-RYUDHWBXSA-N 2 1 266.360 2.251 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1C ZINC000904410524 635616652 /nfs/dbraw/zinc/61/66/52/635616652.db2.gz HEJZRPBRPZYDKT-IUODEOHRSA-N 2 1 278.444 2.327 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc3ccc(Cl)cn23)CC[C@@H]1C[NH3+] ZINC000904411890 635619576 /nfs/dbraw/zinc/61/95/76/635619576.db2.gz PPKUGKQKHSXFAY-VXGBXAGGSA-N 2 1 292.814 2.404 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@@H]1C[NH3+] ZINC000904412136 635620430 /nfs/dbraw/zinc/62/04/30/635620430.db2.gz QQMKNSOCBCPLDY-CRAIPNDOSA-N 2 1 298.434 2.348 20 0 CEADMP CCc1onc(C)c1C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000904433315 635626929 /nfs/dbraw/zinc/62/69/29/635626929.db2.gz LEYCYMCWUQVILM-ZYHUDNBSSA-N 2 1 251.374 2.166 20 0 CEADMP COC(=O)CCC1([NH2+]C[C@@H]([NH3+])CC(F)F)CCCCC1 ZINC000904434333 635628500 /nfs/dbraw/zinc/62/85/00/635628500.db2.gz VPYQJNYLKNRFNI-NSHDSACASA-N 2 1 292.370 2.215 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000904448545 635640313 /nfs/dbraw/zinc/64/03/13/635640313.db2.gz AYLZGSRDKSNSEH-UHFFFAOYSA-N 2 1 261.756 2.469 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000905056363 635803526 /nfs/dbraw/zinc/80/35/26/635803526.db2.gz YKCKQWMEJPNBDU-YOEHRIQHSA-N 2 1 287.407 2.459 20 0 CEADMP CC[NH+](CC)CC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000826666525 635807489 /nfs/dbraw/zinc/80/74/89/635807489.db2.gz GWCQODBDMWWKPN-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)(C)[NH2+]CCC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000826751098 635836191 /nfs/dbraw/zinc/83/61/91/635836191.db2.gz MDMHIAMNEUWVRX-OAHLLOKOSA-N 2 1 295.471 2.003 20 0 CEADMP CC[NH+](CC)Cc1ccc(-c2nc(C3([NH3+])CC3)no2)o1 ZINC000905322740 636221190 /nfs/dbraw/zinc/22/11/90/636221190.db2.gz ZKPSJSMXKVLESH-UHFFFAOYSA-N 2 1 276.340 2.119 20 0 CEADMP Cc1cc(N2CCCC[C@@]3(CC[NH2+]C3)C2)nc(C)[nH+]1 ZINC000905682220 636393450 /nfs/dbraw/zinc/39/34/50/636393450.db2.gz ZPJMZBOSWKAUME-HNNXBMFYSA-N 2 1 260.385 2.063 20 0 CEADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000906174022 636635905 /nfs/dbraw/zinc/63/59/05/636635905.db2.gz VPUMULCWOVDMNJ-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000906227374 636666302 /nfs/dbraw/zinc/66/63/02/636666302.db2.gz QLDJUFGEPBACGL-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000906516737 636764181 /nfs/dbraw/zinc/76/41/81/636764181.db2.gz JMZXIOPWNMFAFA-KYZUINATSA-N 2 1 260.259 2.006 20 0 CEADMP CCCC[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000906533387 636775908 /nfs/dbraw/zinc/77/59/08/636775908.db2.gz FDFXZZGRHLJXTH-MRXNPFEDSA-N 2 1 262.397 2.143 20 0 CEADMP C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1C ZINC000906789882 636853240 /nfs/dbraw/zinc/85/32/40/636853240.db2.gz HSJVAOSKZOGAKE-GJZGRUSLSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000906794949 636856280 /nfs/dbraw/zinc/85/62/80/636856280.db2.gz XWFGUZBUCFBRIF-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000906794949 636856284 /nfs/dbraw/zinc/85/62/84/636856284.db2.gz XWFGUZBUCFBRIF-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000906794949 636856289 /nfs/dbraw/zinc/85/62/89/636856289.db2.gz XWFGUZBUCFBRIF-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000907283340 636982701 /nfs/dbraw/zinc/98/27/01/636982701.db2.gz RXJPHFFJMVGYFR-AWEZNQCLSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000908287896 637287018 /nfs/dbraw/zinc/28/70/18/637287018.db2.gz PTJXQAJAHPVORR-CQSZACIVSA-N 2 1 283.460 2.096 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000909077030 637609556 /nfs/dbraw/zinc/60/95/56/637609556.db2.gz ODUNPIMJSLMFOH-ZWKOTPCHSA-N 2 1 288.435 2.150 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000909077030 637609560 /nfs/dbraw/zinc/60/95/60/637609560.db2.gz ODUNPIMJSLMFOH-ZWKOTPCHSA-N 2 1 288.435 2.150 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000834475366 637841764 /nfs/dbraw/zinc/84/17/64/637841764.db2.gz QVNOCSVMZYZUJM-MRXNPFEDSA-N 2 1 283.460 2.004 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000911856321 638446281 /nfs/dbraw/zinc/44/62/81/638446281.db2.gz PHCKPVJRBIYBPK-BBRMVZONSA-N 2 1 289.423 2.195 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000227188698 639574716 /nfs/dbraw/zinc/57/47/16/639574716.db2.gz UVOAELIOYGKJSX-LSDHHAIUSA-N 2 1 262.397 2.433 20 0 CEADMP CN1c2ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc2CCC1=O ZINC000841087974 639651733 /nfs/dbraw/zinc/65/17/33/639651733.db2.gz UJCWRBYDSGKYAM-OAHLLOKOSA-N 2 1 289.423 2.059 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000088868435 640021470 /nfs/dbraw/zinc/02/14/70/640021470.db2.gz GVTMNQYOSXEUIT-BXKDBHETSA-N 2 1 253.415 2.319 20 0 CEADMP C[N@@H+](C[C@H]1CC[C@H](C(F)(F)F)O1)C[C@H]1CCC[NH+](C)C1 ZINC000929703348 640025324 /nfs/dbraw/zinc/02/53/24/640025324.db2.gz SPSWJDRXACKIBN-YNEHKIRRSA-N 2 1 294.361 2.370 20 0 CEADMP C[NH+](C[C@H]1CC[C@H](C(F)(F)F)O1)C[C@H]1CCC[N@H+](C)C1 ZINC000929703348 640025333 /nfs/dbraw/zinc/02/53/33/640025333.db2.gz SPSWJDRXACKIBN-YNEHKIRRSA-N 2 1 294.361 2.370 20 0 CEADMP C[NH+](C[C@H]1CC[C@H](C(F)(F)F)O1)C[C@H]1CCC[N@@H+](C)C1 ZINC000929703348 640025340 /nfs/dbraw/zinc/02/53/40/640025340.db2.gz SPSWJDRXACKIBN-YNEHKIRRSA-N 2 1 294.361 2.370 20 0 CEADMP C[C@H]1C[N@@H+](CCCCCCC[NH3+])CCN1CC(F)(F)F ZINC000842479337 640076286 /nfs/dbraw/zinc/07/62/86/640076286.db2.gz ZLQWZVFXOJWJFN-ZDUSSCGKSA-N 2 1 295.393 2.464 20 0 CEADMP CCOC(=O)N1CCC[N@@H+](CCCCCCC[NH3+])CC1 ZINC000842476934 640077285 /nfs/dbraw/zinc/07/72/85/640077285.db2.gz XNNONZMLDCIBAR-UHFFFAOYSA-N 2 1 285.432 2.060 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000842778063 640179816 /nfs/dbraw/zinc/17/98/16/640179816.db2.gz FIWZZCYGOSNCRR-IJLUTSLNSA-N 2 1 265.426 2.483 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCc2ccns2)CC[N@@H+]1C ZINC000929779509 640186501 /nfs/dbraw/zinc/18/65/01/640186501.db2.gz ASBLDOGCHWKXCY-VXGBXAGGSA-N 2 1 253.415 2.100 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCc2ccns2)CC[N@H+]1C ZINC000929779509 640186502 /nfs/dbraw/zinc/18/65/02/640186502.db2.gz ASBLDOGCHWKXCY-VXGBXAGGSA-N 2 1 253.415 2.100 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCc2ccns2)CC[NH+]1C ZINC000929779509 640186505 /nfs/dbraw/zinc/18/65/05/640186505.db2.gz ASBLDOGCHWKXCY-VXGBXAGGSA-N 2 1 253.415 2.100 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2ccns2)CC[NH+]1C ZINC000929779509 640186509 /nfs/dbraw/zinc/18/65/09/640186509.db2.gz ASBLDOGCHWKXCY-VXGBXAGGSA-N 2 1 253.415 2.100 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(-n2cncn2)cc1 ZINC000843053980 640255805 /nfs/dbraw/zinc/25/58/05/640255805.db2.gz OFQHGCHHZGBFAT-ZXFUBFMLSA-N 2 1 297.406 2.112 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCCCC[NH3+] ZINC000843344339 640396032 /nfs/dbraw/zinc/39/60/32/640396032.db2.gz WHKXFHSDBBANLL-HOCLYGCPSA-N 2 1 263.429 2.054 20 0 CEADMP CC(C)CCc1noc(C[N@@H+](C)C2CCC([NH3+])CC2)n1 ZINC000843354672 640400186 /nfs/dbraw/zinc/40/01/86/640400186.db2.gz BMPUOMHFLWEMET-UHFFFAOYSA-N 2 1 280.416 2.360 20 0 CEADMP O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000843358283 640402323 /nfs/dbraw/zinc/40/23/23/640402323.db2.gz LQRQHWTZIFLLMP-DJIMGWMZSA-N 2 1 274.408 2.184 20 0 CEADMP C[NH2+]CCC[N@@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000843359140 640403316 /nfs/dbraw/zinc/40/33/16/640403316.db2.gz XQDBEVFVQMLYKY-INIZCTEOSA-N 2 1 282.403 2.427 20 0 CEADMP CC[C@H]1C[N@@H+](CCOc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000843377476 640410515 /nfs/dbraw/zinc/41/05/15/640410515.db2.gz RHSFKSXVZTXBPP-WFASDCNBSA-N 2 1 266.360 2.264 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000843378105 640411276 /nfs/dbraw/zinc/41/12/76/640411276.db2.gz RJWSIPIBUOOQPH-OAHLLOKOSA-N 2 1 295.471 2.276 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000877179851 650612708 /nfs/dbraw/zinc/61/27/08/650612708.db2.gz LCLVQZSUVVZTTO-SHTZXODSSA-N 2 1 283.460 2.132 20 0 CEADMP COc1c(C)cnc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1C ZINC000154755086 640970141 /nfs/dbraw/zinc/97/01/41/640970141.db2.gz PLOQYLFLHIRQEF-UHFFFAOYSA-N 2 1 291.439 2.481 20 0 CEADMP CCc1ncc(C[N@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000930061858 641020170 /nfs/dbraw/zinc/02/01/70/641020170.db2.gz UEIWMBMKRNURCY-UHFFFAOYSA-N 2 1 262.357 2.264 20 0 CEADMP CCc1ncc(C[N@@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000930061858 641020175 /nfs/dbraw/zinc/02/01/75/641020175.db2.gz UEIWMBMKRNURCY-UHFFFAOYSA-N 2 1 262.357 2.264 20 0 CEADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925485656 641020964 /nfs/dbraw/zinc/02/09/64/641020964.db2.gz BIGGUAACFOLWMT-MRXNPFEDSA-N 2 1 287.407 2.062 20 0 CEADMP N[C@H]1C[C@H]([NH2+]CCCCNc2ccccn2)C12CCC2 ZINC000925477818 641116677 /nfs/dbraw/zinc/11/66/77/641116677.db2.gz NAASMZYZOGJMGX-KBPBESRZSA-N 3 1 274.412 2.133 20 0 CEADMP COc1ccc(CCC[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000925479363 641137121 /nfs/dbraw/zinc/13/71/21/641137121.db2.gz GOSVBLACPJROAZ-DZGCQCFKSA-N 2 1 292.423 2.367 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCNc1ccccn1 ZINC000925480347 641152963 /nfs/dbraw/zinc/15/29/63/641152963.db2.gz VVVSDUREJHPUQA-KBPBESRZSA-N 2 1 262.401 2.004 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CCNC[C@H]1c1ccccc1 ZINC000846224521 641233555 /nfs/dbraw/zinc/23/35/55/641233555.db2.gz ZGSCFDWBRHLXES-INIZCTEOSA-N 2 1 261.413 2.152 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCNC[C@H]1c1ccccc1 ZINC000846224521 641233558 /nfs/dbraw/zinc/23/35/58/641233558.db2.gz ZGSCFDWBRHLXES-INIZCTEOSA-N 2 1 261.413 2.152 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000846695151 641398418 /nfs/dbraw/zinc/39/84/18/641398418.db2.gz SQSLBEJLGHZZGM-HOTGVXAUSA-N 2 1 297.487 2.474 20 0 CEADMP C[N@H+](Cc1ccc2nonc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000846898538 641475471 /nfs/dbraw/zinc/47/54/71/641475471.db2.gz GYUWQBUYOJRWOA-PBWFPOADSA-N 2 1 286.379 2.280 20 0 CEADMP C[N@@H+](Cc1ccc2nonc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000846898538 641475476 /nfs/dbraw/zinc/47/54/76/641475476.db2.gz GYUWQBUYOJRWOA-PBWFPOADSA-N 2 1 286.379 2.280 20 0 CEADMP C[NH+](Cc1ccc2nonc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000846898538 641475480 /nfs/dbraw/zinc/47/54/80/641475480.db2.gz GYUWQBUYOJRWOA-PBWFPOADSA-N 2 1 286.379 2.280 20 0 CEADMP C[NH+](Cc1ccc2nonc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000846898538 641475485 /nfs/dbraw/zinc/47/54/85/641475485.db2.gz GYUWQBUYOJRWOA-PBWFPOADSA-N 2 1 286.379 2.280 20 0 CEADMP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC([NH3+])CC2)[C@H]1C ZINC000252542281 641579620 /nfs/dbraw/zinc/57/96/20/641579620.db2.gz FTHGWPUDYRMXQK-HRMROMONSA-N 2 1 295.471 2.129 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000070148654 641637102 /nfs/dbraw/zinc/63/71/02/641637102.db2.gz VGUDYHJTCXPVNH-HNNXBMFYSA-N 2 1 260.381 2.325 20 0 CEADMP C[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000925486158 641847191 /nfs/dbraw/zinc/84/71/91/641847191.db2.gz FLTRVEVNVUTCJI-FHLIZLRMSA-N 2 1 299.462 2.293 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)N1CCc2ccccc2C1 ZINC000925486158 641847201 /nfs/dbraw/zinc/84/72/01/641847201.db2.gz FLTRVEVNVUTCJI-FHLIZLRMSA-N 2 1 299.462 2.293 20 0 CEADMP C[C@@H](CC[NH2+]Cc1cnc(Cl)n1C)[NH+]1CCCCC1 ZINC000848546476 642046445 /nfs/dbraw/zinc/04/64/45/642046445.db2.gz CDDIJURTDIVVTJ-LBPRGKRZSA-N 2 1 284.835 2.428 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC1(F)F ZINC000848552994 642049950 /nfs/dbraw/zinc/04/99/50/642049950.db2.gz HFGNLKXEWZVYDL-FPMFFAJLSA-N 2 1 288.382 2.263 20 0 CEADMP CN(CCCCCC[NH3+])C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000877439782 650723105 /nfs/dbraw/zinc/72/31/05/650723105.db2.gz TWNDAMNYQUNPIQ-MRXNPFEDSA-N 2 1 291.439 2.267 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=[NH2+])NC2CCC2)C1 ZINC000848989972 642211047 /nfs/dbraw/zinc/21/10/47/642211047.db2.gz PCQYAYNEUSVFLG-CYBMUJFWSA-N 2 1 266.433 2.165 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921536838 642213986 /nfs/dbraw/zinc/21/39/86/642213986.db2.gz SBDINBMQPWHIJG-HNNXBMFYSA-N 2 1 296.434 2.454 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000848996148 642215788 /nfs/dbraw/zinc/21/57/88/642215788.db2.gz HDJKNENFAZTVFW-INIZCTEOSA-N 2 1 288.439 2.073 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NCCc1cccs1 ZINC000849001071 642219115 /nfs/dbraw/zinc/21/91/15/642219115.db2.gz ZEZZLCXUHQTLJI-GFCCVEGCSA-N 2 1 282.457 2.135 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1 ZINC000849006055 642222885 /nfs/dbraw/zinc/22/28/85/642222885.db2.gz PNRVANVJFDKTGO-INIZCTEOSA-N 2 1 288.439 2.483 20 0 CEADMP CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000849006988 642223609 /nfs/dbraw/zinc/22/36/09/642223609.db2.gz PXALLBDUCBWLJW-CQSZACIVSA-N 2 1 266.433 2.165 20 0 CEADMP C[C@H](CNC(=[NH2+])NC1CCC1)[N@H+](C)Cc1ccccc1 ZINC000849007875 642224465 /nfs/dbraw/zinc/22/44/65/642224465.db2.gz ZHMHRCPJESTPNW-CYBMUJFWSA-N 2 1 274.412 2.173 20 0 CEADMP C[C@H](CNC(=[NH2+])NC1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000849007875 642224467 /nfs/dbraw/zinc/22/44/67/642224467.db2.gz ZHMHRCPJESTPNW-CYBMUJFWSA-N 2 1 274.412 2.173 20 0 CEADMP CCc1[nH]nc(Cl)c1CNC[C@H]1CC[N@H+](CC)C1 ZINC000921548942 642230010 /nfs/dbraw/zinc/23/00/10/642230010.db2.gz UQSQKYOKZPSMOB-SNVBAGLBSA-N 2 1 270.808 2.057 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000849023858 642237222 /nfs/dbraw/zinc/23/72/22/642237222.db2.gz IKYHUOSGRGGPDZ-GFCCVEGCSA-N 2 1 275.400 2.138 20 0 CEADMP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000849023713 642237704 /nfs/dbraw/zinc/23/77/04/642237704.db2.gz AOBINZSXPOZKBP-ZIAGYGMSSA-N 2 1 280.460 2.363 20 0 CEADMP C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000849023710 642237948 /nfs/dbraw/zinc/23/79/48/642237948.db2.gz AOBINZSXPOZKBP-KBPBESRZSA-N 2 1 280.460 2.363 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(C)(C)C1CC1 ZINC000849032871 642245259 /nfs/dbraw/zinc/24/52/59/642245259.db2.gz PKDAEOYNXTZSDT-AWEZNQCLSA-N 2 1 280.460 2.411 20 0 CEADMP C[C@@H](C[NH2+]Cc1c2c(nn1C)CCC2)C[NH+]1CCCCC1 ZINC000921561300 642246219 /nfs/dbraw/zinc/24/62/19/642246219.db2.gz CJCIZBWXANIXDG-AWEZNQCLSA-N 2 1 290.455 2.120 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C1CCC1 ZINC000849037041 642248363 /nfs/dbraw/zinc/24/83/63/642248363.db2.gz KCFZYENXYWBRBX-CQSZACIVSA-N 2 1 280.460 2.411 20 0 CEADMP CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000997433457 642262167 /nfs/dbraw/zinc/26/21/67/642262167.db2.gz HHRIMOFJPJOYNS-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000877506246 650755663 /nfs/dbraw/zinc/75/56/63/650755663.db2.gz SBFLDKVQFCTLLO-RDBSUJKOSA-N 2 1 299.459 2.362 20 0 CEADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000877506246 650755664 /nfs/dbraw/zinc/75/56/64/650755664.db2.gz SBFLDKVQFCTLLO-RDBSUJKOSA-N 2 1 299.459 2.362 20 0 CEADMP CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000372752 642595097 /nfs/dbraw/zinc/59/50/97/642595097.db2.gz NSQVPFZYQGATEA-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccnn2CC2CC2)C1 ZINC000850172706 642604380 /nfs/dbraw/zinc/60/43/80/642604380.db2.gz CWMNCBGTHABTML-GJZGRUSLSA-N 2 1 276.428 2.256 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C=CCC2)[C@H](C)C1 ZINC000850508883 642734685 /nfs/dbraw/zinc/73/46/85/642734685.db2.gz KWYLMJUFZRIOTJ-PMPSAXMXSA-N 2 1 266.429 2.432 20 0 CEADMP CS[C@H]1CCC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000922099001 642878226 /nfs/dbraw/zinc/87/82/26/642878226.db2.gz NAHXCCPOOQJCNB-CABCVRRESA-N 2 1 299.528 2.276 20 0 CEADMP COc1cccc(C)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000922138518 642899274 /nfs/dbraw/zinc/89/92/74/642899274.db2.gz AMLMKTVFEKUFDK-GFCCVEGCSA-N 2 1 250.386 2.291 20 0 CEADMP C[C@H](CC[NH2+]Cc1cnn(CC2CCC2)c1)[NH+](C)C ZINC000922254425 642983890 /nfs/dbraw/zinc/98/38/90/642983890.db2.gz KDCYCMSUYQJEHE-CYBMUJFWSA-N 2 1 264.417 2.113 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)C[NH+](C)C ZINC000922756278 643246750 /nfs/dbraw/zinc/24/67/50/643246750.db2.gz NPJYMFQHGJRXPR-RBSFLKMASA-N 2 1 286.460 2.136 20 0 CEADMP CCO[C@@H](C[NH2+]Cc1cccc2[nH]ccc21)C[NH+](C)C ZINC000922756186 643246798 /nfs/dbraw/zinc/24/67/98/643246798.db2.gz GQWFXMLCIQFULR-AWEZNQCLSA-N 2 1 275.396 2.224 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C[NH+](C)C ZINC000922757251 643247394 /nfs/dbraw/zinc/24/73/94/643247394.db2.gz CZCMEBNZNZTLKS-CBBWQLFWSA-N 2 1 256.434 2.367 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCO[C@H]3CC3(F)F)C2)CC1 ZINC000852006818 643262738 /nfs/dbraw/zinc/26/27/38/643262738.db2.gz DVSZPXRYOKNZDD-ZDUSSCGKSA-N 2 1 288.382 2.218 20 0 CEADMP COCC[N@@H+](C[C@H]1CCSC1)CC1CC[NH+](C)CC1 ZINC000877664795 650840867 /nfs/dbraw/zinc/84/08/67/650840867.db2.gz XBQQSWCXHUWLQW-OAHLLOKOSA-N 2 1 286.485 2.030 20 0 CEADMP COC[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000922946564 643472652 /nfs/dbraw/zinc/47/26/52/643472652.db2.gz KWHYQSOYMYJEHN-ZIAGYGMSSA-N 2 1 256.434 2.367 20 0 CEADMP c1ccc2c(c1)CC[C@H]2CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852748697 643533776 /nfs/dbraw/zinc/53/37/76/643533776.db2.gz BFNPCAITHJRBPV-UXLLHSPISA-N 2 1 256.393 2.400 20 0 CEADMP c1ccc2c(c1)CC[C@H]2CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852748697 643533780 /nfs/dbraw/zinc/53/37/80/643533780.db2.gz BFNPCAITHJRBPV-UXLLHSPISA-N 2 1 256.393 2.400 20 0 CEADMP O[C@@H](Cc1ccc2ccccc2c1)C[N@@H+]1CCC[NH2+]CC1 ZINC000923276994 643634164 /nfs/dbraw/zinc/63/41/64/643634164.db2.gz ISQZFJJVTZXVGV-SFHVURJKSA-N 2 1 284.403 2.039 20 0 CEADMP O[C@@H](Cc1ccc2ccccc2c1)C[N@H+]1CCC[NH2+]CC1 ZINC000923276994 643634172 /nfs/dbraw/zinc/63/41/72/643634172.db2.gz ISQZFJJVTZXVGV-SFHVURJKSA-N 2 1 284.403 2.039 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000923283733 643635254 /nfs/dbraw/zinc/63/52/54/643635254.db2.gz XRGUDCKBVGJSBQ-CABCVRRESA-N 2 1 256.434 2.249 20 0 CEADMP C[N@@H+](CCC[NH3+])C[C@H](O)c1ccccc1C(F)(F)F ZINC000923292119 643645492 /nfs/dbraw/zinc/64/54/92/643645492.db2.gz TYHAUJCXGHNLOU-LBPRGKRZSA-N 2 1 276.302 2.019 20 0 CEADMP Fc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923302320 643650365 /nfs/dbraw/zinc/65/03/65/643650365.db2.gz UYLUWHABTGIFDP-JKSUJKDBSA-N 2 1 290.382 2.341 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923313320 643652964 /nfs/dbraw/zinc/65/29/64/643652964.db2.gz FDKOYOPZEPOKFF-IAGOWNOFSA-N 2 1 288.435 2.318 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccccn1 ZINC000853099271 643653619 /nfs/dbraw/zinc/65/36/19/643653619.db2.gz PMPUTXNJGORECW-RDJZCZTQSA-N 2 1 291.439 2.359 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316782 643655655 /nfs/dbraw/zinc/65/56/55/643655655.db2.gz WTBYFFFXPZUGPZ-CBBWQLFWSA-N 2 1 264.413 2.018 20 0 CEADMP C(C[N@H+]1CCC[C@@H]1CN1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923322273 643662501 /nfs/dbraw/zinc/66/25/01/643662501.db2.gz NBVVIBFJQBFDTM-HQSKLWIPSA-N 2 1 291.483 2.467 20 0 CEADMP C(CN1CCC[C@@H]1C[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923322273 643662503 /nfs/dbraw/zinc/66/25/03/643662503.db2.gz NBVVIBFJQBFDTM-HQSKLWIPSA-N 2 1 291.483 2.467 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000923333119 643665963 /nfs/dbraw/zinc/66/59/63/643665963.db2.gz UGAQYKAVKUWBSM-PKFCDNJMSA-N 2 1 286.778 2.182 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000923333119 643665966 /nfs/dbraw/zinc/66/59/66/643665966.db2.gz UGAQYKAVKUWBSM-PKFCDNJMSA-N 2 1 286.778 2.182 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923349249 643672366 /nfs/dbraw/zinc/67/23/66/643672366.db2.gz RFAYVDOTTSGJPO-GJZGRUSLSA-N 2 1 256.434 2.379 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000923347150 643676072 /nfs/dbraw/zinc/67/60/72/643676072.db2.gz YLEAAHLQPWFLMO-SOUVJXGZSA-N 2 1 256.434 2.377 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)CC[C@@H]1[NH3+] ZINC000923345401 643676200 /nfs/dbraw/zinc/67/62/00/643676200.db2.gz KIXFSSLHCZUGHV-WKPIXPDZSA-N 2 1 284.350 2.057 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)CC[C@@H]1[NH3+] ZINC000923345401 643676204 /nfs/dbraw/zinc/67/62/04/643676204.db2.gz KIXFSSLHCZUGHV-WKPIXPDZSA-N 2 1 284.350 2.057 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923356806 643679205 /nfs/dbraw/zinc/67/92/05/643679205.db2.gz URLAMZWWNSECTE-RBUKOAKNSA-N 2 1 298.430 2.414 20 0 CEADMP CCc1onc(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923357152 643679844 /nfs/dbraw/zinc/67/98/44/643679844.db2.gz WYTATHAZIMWPME-HNNXBMFYSA-N 2 1 263.385 2.121 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923357152 643679847 /nfs/dbraw/zinc/67/98/47/643679847.db2.gz WYTATHAZIMWPME-HNNXBMFYSA-N 2 1 263.385 2.121 20 0 CEADMP Cn1c(Cl)cnc1C[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923374526 643685428 /nfs/dbraw/zinc/68/54/28/643685428.db2.gz ZEANVSMWCZGLOD-YHWZYXNKSA-N 2 1 296.846 2.426 20 0 CEADMP Cn1c(Cl)cnc1C[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923374526 643685430 /nfs/dbraw/zinc/68/54/30/643685430.db2.gz ZEANVSMWCZGLOD-YHWZYXNKSA-N 2 1 296.846 2.426 20 0 CEADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCCC2(CCCC2)CC1 ZINC000923386583 643692897 /nfs/dbraw/zinc/69/28/97/643692897.db2.gz OPTXFIJKQHJVAR-OAHLLOKOSA-N 2 1 278.440 2.411 20 0 CEADMP C[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CC[NH3+] ZINC000923386937 643692899 /nfs/dbraw/zinc/69/28/99/643692899.db2.gz LKPWQZDJBHGZBT-MKXAEBJUSA-N 2 1 279.472 2.356 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C[C@H]1C[NH3+] ZINC000923413230 643701250 /nfs/dbraw/zinc/70/12/50/643701250.db2.gz VCJTYAUOYAZRPG-GPCCPHFNSA-N 2 1 286.778 2.039 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C[C@H]1C[NH3+] ZINC000923413230 643701255 /nfs/dbraw/zinc/70/12/55/643701255.db2.gz VCJTYAUOYAZRPG-GPCCPHFNSA-N 2 1 286.778 2.039 20 0 CEADMP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)CC1CCCC1 ZINC000923428856 643707298 /nfs/dbraw/zinc/70/72/98/643707298.db2.gz LQEQLPAHWXSOMX-HUUCEWRRSA-N 2 1 266.429 2.192 20 0 CEADMP Cc1ccc2c(ccc(C)c2C[N@H+]2CCNCC[NH2+]CC2)c1 ZINC000923460017 643722565 /nfs/dbraw/zinc/72/25/65/643722565.db2.gz KHHKRABRKJCHGA-UHFFFAOYSA-N 2 1 297.446 2.451 20 0 CEADMP Cc1ccc(F)c(C[N@H+]2CC[C@H](CC[NH3+])C2)c1F ZINC000923480031 643730550 /nfs/dbraw/zinc/73/05/50/643730550.db2.gz UFFJOBSIQCQTFU-NSHDSACASA-N 2 1 254.324 2.444 20 0 CEADMP COc1cccc(SCC[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000923481992 643732114 /nfs/dbraw/zinc/73/21/14/643732114.db2.gz VWMWKTDLSAZQRP-ZDUSSCGKSA-N 2 1 280.437 2.458 20 0 CEADMP Cc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)no1 ZINC000923480978 643732163 /nfs/dbraw/zinc/73/21/63/643732163.db2.gz DUFDIFTYHNVUTA-CYBMUJFWSA-N 2 1 286.379 2.216 20 0 CEADMP Cc1ccccc1-c1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)no1 ZINC000923480978 643732167 /nfs/dbraw/zinc/73/21/67/643732167.db2.gz DUFDIFTYHNVUTA-CYBMUJFWSA-N 2 1 286.379 2.216 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923491701 643736380 /nfs/dbraw/zinc/73/63/80/643736380.db2.gz MDZSRJUYSKWQCK-OAHLLOKOSA-N 2 1 262.397 2.435 20 0 CEADMP C[C@H]1C[N@@H+](CCOCc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923494870 643738810 /nfs/dbraw/zinc/73/88/10/643738810.db2.gz PUAKSUSXPCQNPI-GOEBONIOSA-N 2 1 262.397 2.120 20 0 CEADMP COc1ccc(COCC[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923497280 643739747 /nfs/dbraw/zinc/73/97/47/643739747.db2.gz KVXBYCCEUSBXSC-GOEBONIOSA-N 2 1 292.423 2.129 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)CC[C@@H]1C[NH3+] ZINC000923498868 643741322 /nfs/dbraw/zinc/74/13/22/643741322.db2.gz QMFCEJIZJMTYFC-TZMCWYRMSA-N 2 1 285.391 2.357 20 0 CEADMP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500997 643742192 /nfs/dbraw/zinc/74/21/92/643742192.db2.gz QLZPOLPBPLGAAF-AGIUHOORSA-N 2 1 293.386 2.069 20 0 CEADMP C(C[NH2+]C1CC1)CN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923509470 643745093 /nfs/dbraw/zinc/74/50/93/643745093.db2.gz PWLSZZIOCTVHQV-HNNXBMFYSA-N 2 1 279.472 2.230 20 0 CEADMP Fc1cccc(CCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516615 643746830 /nfs/dbraw/zinc/74/68/30/643746830.db2.gz LMXIPNPGHJOPIA-LSDHHAIUSA-N 2 1 262.372 2.300 20 0 CEADMP CO[C@@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C1CCCCC1 ZINC000923516127 643747462 /nfs/dbraw/zinc/74/74/62/643747462.db2.gz VQBXAYDMSTVGOY-YUELXQCFSA-N 2 1 254.418 2.108 20 0 CEADMP CSc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923520141 643748662 /nfs/dbraw/zinc/74/86/62/643748662.db2.gz IYXJRWKRXXJYME-UONOGXRCSA-N 2 1 262.422 2.450 20 0 CEADMP C[C@@H]1C[N@@H+](CCO[C@H]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000923513902 643749335 /nfs/dbraw/zinc/74/93/35/643749335.db2.gz DDLJXWKASWUMGB-YJNKXOJESA-N 2 1 254.418 2.108 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000923555220 643761254 /nfs/dbraw/zinc/76/12/54/643761254.db2.gz RLYIMQTUNSODFZ-MRXNPFEDSA-N 2 1 266.429 2.267 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000877744352 650890727 /nfs/dbraw/zinc/89/07/27/650890727.db2.gz RXBYJFSNHDVJST-CVEARBPZSA-N 2 1 272.392 2.148 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000877744352 650890732 /nfs/dbraw/zinc/89/07/32/650890732.db2.gz RXBYJFSNHDVJST-CVEARBPZSA-N 2 1 272.392 2.148 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000877744352 650890750 /nfs/dbraw/zinc/89/07/50/650890750.db2.gz RXBYJFSNHDVJST-CVEARBPZSA-N 2 1 272.392 2.148 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000877744352 650890753 /nfs/dbraw/zinc/89/07/53/650890753.db2.gz RXBYJFSNHDVJST-CVEARBPZSA-N 2 1 272.392 2.148 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCn3cc(Cl)cn3)C2)CC1 ZINC000838980104 644107292 /nfs/dbraw/zinc/10/72/92/644107292.db2.gz LYXPXEQGOUTHAN-UHFFFAOYSA-N 2 1 296.846 2.344 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744753 650892003 /nfs/dbraw/zinc/89/20/03/650892003.db2.gz XQAVTAYMWJFUQB-RDJZCZTQSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744753 650892005 /nfs/dbraw/zinc/89/20/05/650892005.db2.gz XQAVTAYMWJFUQB-RDJZCZTQSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1ccccc1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877744753 650892007 /nfs/dbraw/zinc/89/20/07/650892007.db2.gz XQAVTAYMWJFUQB-RDJZCZTQSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1ccccc1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877744753 650892008 /nfs/dbraw/zinc/89/20/08/650892008.db2.gz XQAVTAYMWJFUQB-RDJZCZTQSA-N 2 1 273.424 2.279 20 0 CEADMP CCn1ncc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)n1 ZINC000877767587 650903325 /nfs/dbraw/zinc/90/33/25/650903325.db2.gz OSUKRTRYKLYVOB-UHFFFAOYSA-N 2 1 293.459 2.098 20 0 CEADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC000886286671 644250276 /nfs/dbraw/zinc/25/02/76/644250276.db2.gz AABRFPDVKKAIDX-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC000886286671 644250282 /nfs/dbraw/zinc/25/02/82/644250282.db2.gz AABRFPDVKKAIDX-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP CCC(=CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC ZINC000855346386 644312247 /nfs/dbraw/zinc/31/22/47/644312247.db2.gz ZRDJETAQPKTMJJ-AWEZNQCLSA-N 2 1 283.460 2.121 20 0 CEADMP CCC(=CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC ZINC000855346386 644312250 /nfs/dbraw/zinc/31/22/50/644312250.db2.gz ZRDJETAQPKTMJJ-AWEZNQCLSA-N 2 1 283.460 2.121 20 0 CEADMP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)O2)cc1 ZINC000877982055 650966170 /nfs/dbraw/zinc/96/61/70/650966170.db2.gz GKXYXFIJPORQDL-YVSFHVDLSA-N 2 1 272.392 2.058 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccsc2)CC1(C)C ZINC000858143237 645072624 /nfs/dbraw/zinc/07/26/24/645072624.db2.gz IBSIVLJJZBENPB-QWHCGFSZSA-N 2 1 268.426 2.244 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccsc2)CC1(C)C ZINC000858143237 645072628 /nfs/dbraw/zinc/07/26/28/645072628.db2.gz IBSIVLJJZBENPB-QWHCGFSZSA-N 2 1 268.426 2.244 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2c(F)cccc2F)CC1(C)C ZINC000858142921 645073401 /nfs/dbraw/zinc/07/34/01/645073401.db2.gz RBOSVRWBLWVFFE-RISCZKNCSA-N 2 1 298.377 2.461 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2c(F)cccc2F)CC1(C)C ZINC000858142921 645073402 /nfs/dbraw/zinc/07/34/02/645073402.db2.gz RBOSVRWBLWVFFE-RISCZKNCSA-N 2 1 298.377 2.461 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2SCCS2)CC1(C)C ZINC000858194694 645086126 /nfs/dbraw/zinc/08/61/26/645086126.db2.gz KOSQYDUUUZLRLA-JTQLQIEISA-N 2 1 260.472 2.255 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](CCN2CCCC2)CC1 ZINC000760817922 645197342 /nfs/dbraw/zinc/19/73/42/645197342.db2.gz MLEIAPBUXUKLQA-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)Nc1cc[nH+]c(CO)c1 ZINC000858549683 645198327 /nfs/dbraw/zinc/19/83/27/645198327.db2.gz YWXUKQGJXJMWGL-GFCCVEGCSA-N 2 1 251.374 2.106 20 0 CEADMP FC(F)(F)OCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000878126301 651007658 /nfs/dbraw/zinc/00/76/58/651007658.db2.gz WVSVPWJMCVUAHA-LBPRGKRZSA-N 2 1 280.334 2.331 20 0 CEADMP FC(F)(F)OCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000878126301 651007662 /nfs/dbraw/zinc/00/76/62/651007662.db2.gz WVSVPWJMCVUAHA-LBPRGKRZSA-N 2 1 280.334 2.331 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)c2ccccn2)cc1 ZINC000859214053 645422181 /nfs/dbraw/zinc/42/21/81/645422181.db2.gz UPNKLEJGOYTYSC-SFHVURJKSA-N 2 1 299.418 2.309 20 0 CEADMP Cn1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1=O ZINC000859213281 645422528 /nfs/dbraw/zinc/42/25/28/645422528.db2.gz FYMWCXUNRQCHMK-UHFFFAOYSA-N 2 1 299.418 2.079 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H](O)C(C)C)C1 ZINC000878159618 651018366 /nfs/dbraw/zinc/01/83/66/651018366.db2.gz OVEHTVQYYNKNEF-HUUCEWRRSA-N 2 1 256.434 2.057 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H](O)C(C)C)C1 ZINC000878159618 651018369 /nfs/dbraw/zinc/01/83/69/651018369.db2.gz OVEHTVQYYNKNEF-HUUCEWRRSA-N 2 1 256.434 2.057 20 0 CEADMP Cc1c[nH+]cn1CC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000859947131 645661888 /nfs/dbraw/zinc/66/18/88/645661888.db2.gz YIBAMEJEMQMBOG-INIZCTEOSA-N 2 1 299.374 2.009 20 0 CEADMP Cc1c[nH+]cn1CC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000859947131 645661892 /nfs/dbraw/zinc/66/18/92/645661892.db2.gz YIBAMEJEMQMBOG-INIZCTEOSA-N 2 1 299.374 2.009 20 0 CEADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CC(OC)OC ZINC000859996468 645672318 /nfs/dbraw/zinc/67/23/18/645672318.db2.gz FZSGQOOSHXEVPF-UHFFFAOYSA-N 2 1 280.412 2.189 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000765767840 645806204 /nfs/dbraw/zinc/80/62/04/645806204.db2.gz HTGFFRNMNCIRBV-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCN(C)C3)CC2)C1 ZINC000765767840 645806211 /nfs/dbraw/zinc/80/62/11/645806211.db2.gz HTGFFRNMNCIRBV-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCOC1 ZINC000765973187 645829404 /nfs/dbraw/zinc/82/94/04/645829404.db2.gz DMIDPSYHOCPFTG-PVAVHDDUSA-N 2 1 296.455 2.035 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[S@](C)=O)cc1 ZINC000766049974 645840875 /nfs/dbraw/zinc/84/08/75/645840875.db2.gz NRHHLTMINXERPV-YUNKPMOVSA-N 2 1 291.420 2.210 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2nc3c(s2)CCC3)[C@H](C)C1 ZINC000771844135 646558462 /nfs/dbraw/zinc/55/84/62/646558462.db2.gz WEEFTBHNOIXYTL-VXGBXAGGSA-N 2 1 279.453 2.452 20 0 CEADMP C[NH+](C)C1(C[NH2+]C2CC3(CCC3)C2)CCOCC1 ZINC000772879367 646681903 /nfs/dbraw/zinc/68/19/03/646681903.db2.gz OXCBLQFSHBYEBQ-UHFFFAOYSA-N 2 1 252.402 2.020 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000773139862 646709179 /nfs/dbraw/zinc/70/91/79/646709179.db2.gz UIZWRKHGALSOMH-UPJWGTAASA-N 2 1 272.483 2.050 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](NCc2cc3c(s2)CC[NH2+]C3)C1 ZINC000864055552 646874840 /nfs/dbraw/zinc/87/48/40/646874840.db2.gz SGNVBDVXNQQXKU-ZDUSSCGKSA-N 2 1 293.480 2.262 20 0 CEADMP CC(=O)NCC1CCC([NH2+]C[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000865641067 647402304 /nfs/dbraw/zinc/40/23/04/647402304.db2.gz SBGOYKVUYKFETH-AQFXKWCLSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]cc3C(F)(F)F)C[C@@H]2C1 ZINC000865905748 647530739 /nfs/dbraw/zinc/53/07/39/647530739.db2.gz VBKMOHSLQXKVBR-MNOVXSKESA-N 2 1 285.313 2.488 20 0 CEADMP CC[N@@H+](C[C@H](O)CN1CCCC1)[C@@H]1CCCC[C@@H]1C ZINC000781925381 647572379 /nfs/dbraw/zinc/57/23/79/647572379.db2.gz TUJZVNINHNEESD-ARFHVFGLSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCC[C@@H]1C ZINC000781925381 647572381 /nfs/dbraw/zinc/57/23/81/647572381.db2.gz TUJZVNINHNEESD-ARFHVFGLSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCC[C@@H]1C ZINC000781925381 647572384 /nfs/dbraw/zinc/57/23/84/647572384.db2.gz TUJZVNINHNEESD-ARFHVFGLSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+]1CCC(C[N@@H+]2CCO[C@H](c3ccsc3)C2)CC1 ZINC000788487524 647660058 /nfs/dbraw/zinc/66/00/58/647660058.db2.gz IMAWXCKTKQFTCY-HNNXBMFYSA-N 2 1 280.437 2.463 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCO[C@H](c3ccsc3)C2)CC1 ZINC000788487524 647660066 /nfs/dbraw/zinc/66/00/66/647660066.db2.gz IMAWXCKTKQFTCY-HNNXBMFYSA-N 2 1 280.437 2.463 20 0 CEADMP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]cc3Br)CC[C@H]21 ZINC000866208129 647672377 /nfs/dbraw/zinc/67/23/77/647672377.db2.gz KIACARNIQMXJSI-CMPLNLGQSA-N 2 1 296.212 2.375 20 0 CEADMP C[N@H+]1CC[C@H]2CN(c3cc[nH+]cc3Br)CC[C@H]21 ZINC000866208129 647672379 /nfs/dbraw/zinc/67/23/79/647672379.db2.gz KIACARNIQMXJSI-CMPLNLGQSA-N 2 1 296.212 2.375 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(C3CC(OC(C)(C)C)C3)CC[C@@H]21 ZINC000866585139 647832984 /nfs/dbraw/zinc/83/29/84/647832984.db2.gz OPPYNSTTYQYLNN-URGYJCLVSA-N 2 1 266.429 2.359 20 0 CEADMP c1oc(C2CC2)nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666275 647861888 /nfs/dbraw/zinc/86/18/88/647861888.db2.gz PAZLLMIFGVDXOR-KBPBESRZSA-N 2 1 275.396 2.374 20 0 CEADMP CC1(C)CC[C@H](C[NH+]2CCC3(CC[NH2+]3)CC2)OC1 ZINC000866667566 647862539 /nfs/dbraw/zinc/86/25/39/647862539.db2.gz QCJNDRXWVPPDAD-CYBMUJFWSA-N 2 1 252.402 2.020 20 0 CEADMP CO[C@H](C[N@H+]1CC[NH2+]CCC1(C)C)C1CCCC1 ZINC000866697144 647872658 /nfs/dbraw/zinc/87/26/58/647872658.db2.gz HDIBTUWRXMCTFW-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709728 647879078 /nfs/dbraw/zinc/87/90/78/647879078.db2.gz ZMVYAVVAEJUFEH-WFASDCNBSA-N 2 1 262.401 2.235 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCC[C@H]1CCCC[NH+]1C ZINC000785729271 647951727 /nfs/dbraw/zinc/95/17/27/647951727.db2.gz DXGTXUACUVNDNC-QLFBSQMISA-N 2 1 282.428 2.277 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000785729271 647951731 /nfs/dbraw/zinc/95/17/31/647951731.db2.gz DXGTXUACUVNDNC-QLFBSQMISA-N 2 1 282.428 2.277 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000785729271 647951733 /nfs/dbraw/zinc/95/17/33/647951733.db2.gz DXGTXUACUVNDNC-QLFBSQMISA-N 2 1 282.428 2.277 20 0 CEADMP CCOC(=O)NC1CCC([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000790744797 648443873 /nfs/dbraw/zinc/44/38/73/648443873.db2.gz ARKVMKOVFACWKN-UHFFFAOYSA-N 2 1 297.443 2.118 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)n(C)n1 ZINC000793520392 648768679 /nfs/dbraw/zinc/76/86/79/648768679.db2.gz GIMRGCONRHKANG-TZMCWYRMSA-N 2 1 264.417 2.111 20 0 CEADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)CCCCCC[NH3+] ZINC000870979797 648969259 /nfs/dbraw/zinc/96/92/59/648969259.db2.gz SHRSKOIRMHHVJJ-INIZCTEOSA-N 2 1 289.423 2.199 20 0 CEADMP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)CCCCCC[NH3+] ZINC000870979797 648969263 /nfs/dbraw/zinc/96/92/63/648969263.db2.gz SHRSKOIRMHHVJJ-INIZCTEOSA-N 2 1 289.423 2.199 20 0 CEADMP CCSCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785403 649184368 /nfs/dbraw/zinc/18/43/68/649184368.db2.gz SCCFFDXIUPZGCZ-YOGCLGLASA-N 2 1 271.430 2.111 20 0 CEADMP CCSCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785403 649184370 /nfs/dbraw/zinc/18/43/70/649184370.db2.gz SCCFFDXIUPZGCZ-YOGCLGLASA-N 2 1 271.430 2.111 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C1 ZINC000871796763 649189777 /nfs/dbraw/zinc/18/97/77/649189777.db2.gz KSEWWBVZWJZCKC-JVGWCMFKSA-N 2 1 276.384 2.128 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)[C@@H]2CCC[C@@H]21 ZINC000872108821 649279994 /nfs/dbraw/zinc/27/99/94/649279994.db2.gz XUHXFHVKSJUQDH-UYLCUJDWSA-N 2 1 278.440 2.406 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1)C1CC1 ZINC000872141893 649291641 /nfs/dbraw/zinc/29/16/41/649291641.db2.gz YPCNHFTXMLLJQQ-INIZCTEOSA-N 2 1 278.440 2.410 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872144086 649293571 /nfs/dbraw/zinc/29/35/71/649293571.db2.gz BRWGNAXKUYOEPF-OEMZWJQQSA-N 2 1 264.413 2.147 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872144086 649293573 /nfs/dbraw/zinc/29/35/73/649293573.db2.gz BRWGNAXKUYOEPF-OEMZWJQQSA-N 2 1 264.413 2.147 20 0 CEADMP Cc1csc([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000872147061 649296634 /nfs/dbraw/zinc/29/66/34/649296634.db2.gz COUQRPCWTHJMHV-ZDUSSCGKSA-N 2 1 265.426 2.240 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000872153397 649297426 /nfs/dbraw/zinc/29/74/26/649297426.db2.gz AIJIBTUFLQWVJQ-HUUCEWRRSA-N 2 1 282.428 2.041 20 0 CEADMP CO[C@@H](C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CCCCC1 ZINC000872153920 649298341 /nfs/dbraw/zinc/29/83/41/649298341.db2.gz KALGTEGFCGUPNF-HRCADAONSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCOC1CCCCCC1)C2 ZINC000872154355 649298545 /nfs/dbraw/zinc/29/85/45/649298545.db2.gz YCYGERPOHQHRHU-GOEBONIOSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCOC1CCCCCC1)C2 ZINC000872154355 649298547 /nfs/dbraw/zinc/29/85/47/649298547.db2.gz YCYGERPOHQHRHU-GOEBONIOSA-N 2 1 266.429 2.267 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157696 649300533 /nfs/dbraw/zinc/30/05/33/649300533.db2.gz PRRYXPZYNFXLMD-GDBMZVCRSA-N 3 1 267.461 2.216 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CC12CCC2 ZINC000872251564 649329047 /nfs/dbraw/zinc/32/90/47/649329047.db2.gz OLNXDWUQGNZJOG-JKSUJKDBSA-N 2 1 274.408 2.012 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CC12CCC2 ZINC000872251564 649329051 /nfs/dbraw/zinc/32/90/51/649329051.db2.gz OLNXDWUQGNZJOG-JKSUJKDBSA-N 2 1 274.408 2.012 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@H](OC3CCC3)CC2)CC[NH2+]C1 ZINC000872257091 649330607 /nfs/dbraw/zinc/33/06/07/649330607.db2.gz KYQKRXAKNCZBHU-HOTGVXAUSA-N 2 1 266.429 2.410 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872285900 649345443 /nfs/dbraw/zinc/34/54/43/649345443.db2.gz LSSIIMJBRWKUEA-XHSDSOJGSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H]1C[NH3+] ZINC000873213591 649592676 /nfs/dbraw/zinc/59/26/76/649592676.db2.gz INPCBWOSARKFIT-DYEKYZERSA-N 3 1 293.480 2.199 20 0 CEADMP C[C@@H]1C[C@H](C)N(Cc2cc3c(s2)CC[NH2+]C3)C[C@@H]1C[NH3+] ZINC000873213591 649592678 /nfs/dbraw/zinc/59/26/78/649592678.db2.gz INPCBWOSARKFIT-DYEKYZERSA-N 2 1 293.480 2.199 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000873219901 649594581 /nfs/dbraw/zinc/59/45/81/649594581.db2.gz HGWMQVIZWHNUHN-BMGDILEWSA-N 3 1 287.451 2.457 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)CC[NH2+]1 ZINC000873228272 649599479 /nfs/dbraw/zinc/59/94/79/649599479.db2.gz BTTHJZQTDDLRCR-LPWJVIDDSA-N 2 1 294.361 2.416 20 0 CEADMP C[C@@H]([NH2+]C1CC(Nc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000873296237 649631804 /nfs/dbraw/zinc/63/18/04/649631804.db2.gz VXZANCXKMRODTP-TWRYWWQQSA-N 2 1 259.397 2.360 20 0 CEADMP c1ccc2c(c1)CN[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000873296534 649631991 /nfs/dbraw/zinc/63/19/91/649631991.db2.gz HVNUIEIQWFVHKW-ZSYWTGECSA-N 2 1 299.462 2.211 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000873296485 649632026 /nfs/dbraw/zinc/63/20/26/649632026.db2.gz GRHBAGVLJUBYHC-XHSDSOJGSA-N 2 1 296.842 2.364 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000878511310 651117058 /nfs/dbraw/zinc/11/70/58/651117058.db2.gz IOTZHIYGWRXERA-WCVJEAGWSA-N 2 1 266.429 2.360 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)o1 ZINC000878748540 651178202 /nfs/dbraw/zinc/17/82/02/651178202.db2.gz WWOIXJKLISHASX-UHFFFAOYSA-N 2 1 286.379 2.399 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)c3cccc(F)c3)C2)CC1 ZINC000878864559 651200524 /nfs/dbraw/zinc/20/05/24/651200524.db2.gz GLGLDYFPUNAKKC-MRXNPFEDSA-N 2 1 292.398 2.277 20 0 CEADMP COCC[N@@H+](CCCC1CC1)CC1CC[NH+](C)CC1 ZINC000879125380 651247646 /nfs/dbraw/zinc/24/76/46/651247646.db2.gz AWTCGWNTDBHIBE-UHFFFAOYSA-N 2 1 268.445 2.467 20 0 CEADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1nnc(C3CC3)o1)CC2 ZINC000879247815 651270221 /nfs/dbraw/zinc/27/02/21/651270221.db2.gz ILHVHRGNVWGRDX-UHFFFAOYSA-N 2 1 290.411 2.255 20 0 CEADMP CC(C)CCOCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570559 651323389 /nfs/dbraw/zinc/32/33/89/651323389.db2.gz HBXCYRPIWISYGI-GJZGRUSLSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)CCOCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570559 651323391 /nfs/dbraw/zinc/32/33/91/651323391.db2.gz HBXCYRPIWISYGI-GJZGRUSLSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879570559 651323392 /nfs/dbraw/zinc/32/33/92/651323392.db2.gz HBXCYRPIWISYGI-GJZGRUSLSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879570559 651323394 /nfs/dbraw/zinc/32/33/94/651323394.db2.gz HBXCYRPIWISYGI-GJZGRUSLSA-N 2 1 254.418 2.075 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCOC(C)(C)C)CC[C@@H]21 ZINC000879575858 651324935 /nfs/dbraw/zinc/32/49/35/651324935.db2.gz NMDJWMNNJYAOKK-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCOC(C)(C)C)CC[C@@H]21 ZINC000879575858 651324936 /nfs/dbraw/zinc/32/49/36/651324936.db2.gz NMDJWMNNJYAOKK-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCOC(C)(C)C)CC[C@@H]21 ZINC000879575858 651324937 /nfs/dbraw/zinc/32/49/37/651324937.db2.gz NMDJWMNNJYAOKK-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOC(C)(C)C)CC[C@@H]21 ZINC000879575858 651324938 /nfs/dbraw/zinc/32/49/38/651324938.db2.gz NMDJWMNNJYAOKK-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2Cl)CC[N@@H+]1C ZINC000128138961 651375701 /nfs/dbraw/zinc/37/57/01/651375701.db2.gz IPGUOBBHRRVKNE-JMSVASOKSA-N 2 1 282.815 2.446 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccccc2Cl)CC[N@H+]1C ZINC000128138961 651375702 /nfs/dbraw/zinc/37/57/02/651375702.db2.gz IPGUOBBHRRVKNE-JMSVASOKSA-N 2 1 282.815 2.446 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880146047 651392590 /nfs/dbraw/zinc/39/25/90/651392590.db2.gz JSKSJADVIBLLAH-CQSZACIVSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880146047 651392592 /nfs/dbraw/zinc/39/25/92/651392592.db2.gz JSKSJADVIBLLAH-CQSZACIVSA-N 2 1 265.401 2.065 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CCO1 ZINC000880205551 651401083 /nfs/dbraw/zinc/40/10/83/651401083.db2.gz SEODZSJECCIJGI-INMHGKMJSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CCO1 ZINC000880205551 651401084 /nfs/dbraw/zinc/40/10/84/651401084.db2.gz SEODZSJECCIJGI-INMHGKMJSA-N 2 1 296.455 2.035 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](CF)C2)CC1 ZINC000880236805 651406423 /nfs/dbraw/zinc/40/64/23/651406423.db2.gz JKBCILKECSGQLZ-INIZCTEOSA-N 2 1 285.451 2.084 20 0 CEADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H](COC)OC)CC1 ZINC000880254851 651410554 /nfs/dbraw/zinc/41/05/54/651410554.db2.gz PSLSLOUQMVPDLQ-MRXNPFEDSA-N 2 1 298.471 2.378 20 0 CEADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H]2COCCO2)CC1 ZINC000880254560 651410682 /nfs/dbraw/zinc/41/06/82/651410682.db2.gz GQUYTAQVSUJVDR-INIZCTEOSA-N 2 1 296.455 2.132 20 0 CEADMP C[C@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CCN1c1cc[nH+]cc1 ZINC000880259489 651411563 /nfs/dbraw/zinc/41/15/63/651411563.db2.gz UNMMSLCLYNGITI-GXTWGEPZSA-N 2 1 297.349 2.016 20 0 CEADMP C[C@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CCN1c1cc[nH+]cc1 ZINC000880259489 651411564 /nfs/dbraw/zinc/41/15/64/651411564.db2.gz UNMMSLCLYNGITI-GXTWGEPZSA-N 2 1 297.349 2.016 20 0 CEADMP C[C@H]1C[N@@H+](CCc2cncs2)CCN1c1cc[nH+]cc1 ZINC000880259322 651411711 /nfs/dbraw/zinc/41/17/11/651411711.db2.gz PUFICYKQWFVPRD-ZDUSSCGKSA-N 2 1 288.420 2.291 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CCO1 ZINC000880259894 651412064 /nfs/dbraw/zinc/41/20/64/651412064.db2.gz KVYFFHMDAZYFQY-BZUAXINKSA-N 2 1 289.423 2.407 20 0 CEADMP COC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@H]1CCCOC1 ZINC000883220511 652404085 /nfs/dbraw/zinc/40/40/85/652404085.db2.gz KOJFIKJCNNOJSW-ZGRYLRDCSA-N 2 1 296.455 2.035 20 0 CEADMP C([C@@H]1CCC2(CCC2)O1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000883430447 652467272 /nfs/dbraw/zinc/46/72/72/652467272.db2.gz VNARITZBAACUSF-LSDHHAIUSA-N 2 1 264.413 2.164 20 0 CEADMP C=C/C=C/CC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000883434439 652469111 /nfs/dbraw/zinc/46/91/11/652469111.db2.gz RDKHNUOFYXCOFA-JALMUYFWSA-N 2 1 264.413 2.337 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H]2CCC3(CCOCC3)O2)[C@H]1C ZINC000883445900 652472415 /nfs/dbraw/zinc/47/24/15/652472415.db2.gz PEXOMDUFZVWKNU-QXSJWSMHSA-N 2 1 296.455 2.162 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)[C@H]1C ZINC000883445900 652472418 /nfs/dbraw/zinc/47/24/18/652472418.db2.gz PEXOMDUFZVWKNU-QXSJWSMHSA-N 2 1 296.455 2.162 20 0 CEADMP CCO[C@@H](C[N@@H+](C)C1(C[NH3+])CCCCC1)C1CC1 ZINC000883455205 652476086 /nfs/dbraw/zinc/47/60/86/652476086.db2.gz XEELHWXLMYSPDB-AWEZNQCLSA-N 2 1 254.418 2.395 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[NH2+]CCC23CCC3)c1C ZINC000883458458 652476683 /nfs/dbraw/zinc/47/66/83/652476683.db2.gz KDARUGHXLARQBV-UHFFFAOYSA-N 2 1 289.423 2.425 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884312978 652791531 /nfs/dbraw/zinc/79/15/31/652791531.db2.gz SOIPOHRWZICDHQ-UONOGXRCSA-N 2 1 285.476 2.233 20 0 CEADMP Cc1cccc(C)c1CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000215382980 652868074 /nfs/dbraw/zinc/86/80/74/652868074.db2.gz VEMCKDAOLYQSNX-CVEARBPZSA-N 2 1 274.408 2.256 20 0 CEADMP Cc1cccc(C)c1CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000215382980 652868078 /nfs/dbraw/zinc/86/80/78/652868078.db2.gz VEMCKDAOLYQSNX-CVEARBPZSA-N 2 1 274.408 2.256 20 0 CEADMP Cc1n[nH]c(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000885924842 653069906 /nfs/dbraw/zinc/06/99/06/653069906.db2.gz WOWRHIWNZKKTEY-BETUJISGSA-N 2 1 278.444 2.484 20 0 CEADMP Cc1n[nH]c(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000885924842 653069908 /nfs/dbraw/zinc/06/99/08/653069908.db2.gz WOWRHIWNZKKTEY-BETUJISGSA-N 2 1 278.444 2.484 20 0 CEADMP C[NH+](C)[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995809 805601442 /nfs/dbraw/zinc/60/14/42/805601442.db2.gz QNPSENVLHFKHOV-KTGAGVNESA-N 2 1 291.483 2.418 20 0 CEADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)C(C)(F)F ZINC000696586417 805671270 /nfs/dbraw/zinc/67/12/70/805671270.db2.gz LXOQEVMQWCFEJB-MNOVXSKESA-N 2 1 264.360 2.024 20 0 CEADMP C[C@]1([NH3+])CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001204763641 805750587 /nfs/dbraw/zinc/75/05/87/805750587.db2.gz OIOGFEJHTMYHCX-SFHVURJKSA-N 3 1 287.451 2.322 20 0 CEADMP C[C@]1([NH3+])CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001204763641 805750599 /nfs/dbraw/zinc/75/05/99/805750599.db2.gz OIOGFEJHTMYHCX-SFHVURJKSA-N 3 1 287.451 2.322 20 0 CEADMP CCCCC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001203443705 805858427 /nfs/dbraw/zinc/85/84/27/805858427.db2.gz YMTMRQNXKAYVRS-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001271836734 806111735 /nfs/dbraw/zinc/11/17/35/806111735.db2.gz CUWIQLSTSNASRZ-CVEARBPZSA-N 2 1 297.487 2.390 20 0 CEADMP CC[NH2+][C@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001088330242 806121500 /nfs/dbraw/zinc/12/15/00/806121500.db2.gz SUUFZUBJNOOKGW-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001088381508 806173483 /nfs/dbraw/zinc/17/34/83/806173483.db2.gz GEIGJDDSOWUYMM-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH2+][C@@]12CC[C@@](NC(=O)[C@@H]3CC[N@H+]3C(C)(C)C)(C1)CCC2 ZINC001271975924 806172470 /nfs/dbraw/zinc/17/24/70/806172470.db2.gz MFOSELNIBHUHFY-RRQGHBQHSA-N 2 1 293.455 2.040 20 0 CEADMP COc1ccccc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001203426897 806263643 /nfs/dbraw/zinc/26/36/43/806263643.db2.gz ADNOUYHXTJENOD-HIFRSBDPSA-N 2 1 260.381 2.079 20 0 CEADMP COc1ccccc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001203426897 806263652 /nfs/dbraw/zinc/26/36/52/806263652.db2.gz ADNOUYHXTJENOD-HIFRSBDPSA-N 2 1 260.381 2.079 20 0 CEADMP COc1ccccc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001203426897 806263659 /nfs/dbraw/zinc/26/36/59/806263659.db2.gz ADNOUYHXTJENOD-HIFRSBDPSA-N 2 1 260.381 2.079 20 0 CEADMP CCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168145998 806302703 /nfs/dbraw/zinc/30/27/03/806302703.db2.gz DBGOCILQDHYKLS-OAHLLOKOSA-N 2 1 295.471 2.004 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C2 ZINC001168259113 806449225 /nfs/dbraw/zinc/44/92/25/806449225.db2.gz JJNZDDKSBWUDQE-MJEQTWJJSA-N 2 1 274.408 2.092 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C2 ZINC001168259113 806449231 /nfs/dbraw/zinc/44/92/31/806449231.db2.gz JJNZDDKSBWUDQE-MJEQTWJJSA-N 2 1 274.408 2.092 20 0 CEADMP [NH3+]Cc1cnn(-c2cc[nH+]cc2-c2ccccc2)c1 ZINC001168259034 806449608 /nfs/dbraw/zinc/44/96/08/806449608.db2.gz KLLVSPVTEJJJJO-UHFFFAOYSA-N 2 1 250.305 2.393 20 0 CEADMP CCOC(=O)[C@@H](CC(C)C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168294930 806631954 /nfs/dbraw/zinc/63/19/54/806631954.db2.gz HZDOFUMTORUGEK-YMAMQOFZSA-N 2 1 284.444 2.427 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@H]3CCCO[C@H]3C2)CC1 ZINC001168313443 806646008 /nfs/dbraw/zinc/64/60/08/806646008.db2.gz CZLGYUWFZFDVRB-LMPOIIKSSA-N 2 1 266.429 2.360 20 0 CEADMP C[C@H]1C[C@H]2C[N@H+](C3CCC([NH+](C)C)CC3)CC[C@H]2O1 ZINC001168319144 806651530 /nfs/dbraw/zinc/65/15/30/806651530.db2.gz PELOOFKLJNGSPK-RKVQBDSKSA-N 2 1 266.429 2.359 20 0 CEADMP C[NH+](C)C1CCC([N@@H+]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001168327028 806656956 /nfs/dbraw/zinc/65/69/56/806656956.db2.gz JLLSBZBPIDJLHL-HTAVTVPLSA-N 2 1 280.334 2.122 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001168327028 806656958 /nfs/dbraw/zinc/65/69/58/806656958.db2.gz JLLSBZBPIDJLHL-HTAVTVPLSA-N 2 1 280.334 2.122 20 0 CEADMP CC(=O)N1CC[C@@H]([N@H+](C(C)C)C2CCC([NH+](C)C)CC2)C1 ZINC001168328254 806657984 /nfs/dbraw/zinc/65/79/84/806657984.db2.gz BQKMQPMJGYGTJN-OFLPRAFFSA-N 2 1 295.471 2.190 20 0 CEADMP CCN(CC)[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168328215 806658246 /nfs/dbraw/zinc/65/82/46/806658246.db2.gz ZUWIPVNPXCCJQO-UYSNPLJNSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN(C2CCC([NH+](C)C)CC2)C1 ZINC001168328215 806658250 /nfs/dbraw/zinc/65/82/50/806658250.db2.gz ZUWIPVNPXCCJQO-UYSNPLJNSA-N 2 1 267.461 2.275 20 0 CEADMP C[NH+](C)C1CCC([N@@H+]2CC[C@H](N3CCCC3)[C@@H](F)C2)CC1 ZINC001168334770 806661960 /nfs/dbraw/zinc/66/19/60/806661960.db2.gz WRPCQDPHKLOJCS-GQGLESIBSA-N 2 1 297.462 2.367 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](N3CCCC3)[C@@H](F)C2)CC1 ZINC001168334770 806661964 /nfs/dbraw/zinc/66/19/64/806661964.db2.gz WRPCQDPHKLOJCS-GQGLESIBSA-N 2 1 297.462 2.367 20 0 CEADMP COCc1csc(C[NH2+]CC[C@H](C)[NH+](C)C)c1 ZINC000697849243 806709240 /nfs/dbraw/zinc/70/92/40/806709240.db2.gz PUWWVGVRFACQIZ-NSHDSACASA-N 2 1 256.415 2.324 20 0 CEADMP C[C@@]1(CO)CCC[N@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168373661 806972741 /nfs/dbraw/zinc/97/27/41/806972741.db2.gz SCJGUHRCDQGUBI-QGZVFWFLSA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CCC(C)(C[N@H+]2CC[C@]3(C2)CCCOC3)CC1 ZINC001208108681 802342799 /nfs/dbraw/zinc/34/27/99/802342799.db2.gz GRIBTDOXORHCKS-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+](C)CCN(Cc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208603343 802387861 /nfs/dbraw/zinc/38/78/61/802387861.db2.gz BRQKZQKUGNICOB-GOSISDBHSA-N 2 1 289.467 2.392 20 0 CEADMP C[NH+]1CCC2(CC[N@H+](Cc3cnc(Cl)nc3)C2)CC1 ZINC001139990740 802467748 /nfs/dbraw/zinc/46/77/48/802467748.db2.gz DHPLFJBLLHNNFY-UHFFFAOYSA-N 2 1 280.803 2.048 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cnc(Cl)nc3)C2)CC1 ZINC001139990740 802467754 /nfs/dbraw/zinc/46/77/54/802467754.db2.gz DHPLFJBLLHNNFY-UHFFFAOYSA-N 2 1 280.803 2.048 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000693011122 802528671 /nfs/dbraw/zinc/52/86/71/802528671.db2.gz WAWSHAQILBGFFY-ZFWWWQNUSA-N 2 1 259.397 2.390 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000693011122 802528676 /nfs/dbraw/zinc/52/86/76/802528676.db2.gz WAWSHAQILBGFFY-ZFWWWQNUSA-N 2 1 259.397 2.390 20 0 CEADMP c1ccc(C[N@H+]2C[C@H]3CN(C[C@@H]4CCCC[NH2+]4)C[C@H]3C2)cc1 ZINC000705885539 802569149 /nfs/dbraw/zinc/56/91/49/802569149.db2.gz DWEIPFSPOVUZJL-OTWHNJEPSA-N 2 1 299.462 2.192 20 0 CEADMP C[N@H+](CCCCCC[NH3+])Cc1nccn1C1CC1 ZINC000710782711 809992566 /nfs/dbraw/zinc/99/25/66/809992566.db2.gz XCHHOXWIYRTMKB-UHFFFAOYSA-N 2 1 250.390 2.169 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1nccn1C1CC1 ZINC000710782711 809992570 /nfs/dbraw/zinc/99/25/70/809992570.db2.gz XCHHOXWIYRTMKB-UHFFFAOYSA-N 2 1 250.390 2.169 20 0 CEADMP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266599856 802757207 /nfs/dbraw/zinc/75/72/07/802757207.db2.gz ZQZYLVQCVAHTTB-BZUAXINKSA-N 2 1 293.455 2.064 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000721446891 802781925 /nfs/dbraw/zinc/78/19/25/802781925.db2.gz WZQISTSXWNQDQW-SNVBAGLBSA-N 2 1 270.364 2.485 20 0 CEADMP C[C@H]1C[C@@H](n2cnc(C[NH3+])c2)C[N@H+]1Cc1ccccc1 ZINC000398203538 802809721 /nfs/dbraw/zinc/80/97/21/802809721.db2.gz NKDDSXRCKBPYHS-XJKSGUPXSA-N 2 1 270.380 2.177 20 0 CEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000382248767 802851651 /nfs/dbraw/zinc/85/16/51/802851651.db2.gz AAKKGCKUKFXJRL-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CC[C@@H](C)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167472403 802888234 /nfs/dbraw/zinc/88/82/34/802888234.db2.gz XJPFCGIKYKRVMT-CQSZACIVSA-N 2 1 294.443 2.149 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723640135 802913656 /nfs/dbraw/zinc/91/36/56/802913656.db2.gz OXAMDNQWEDFJOK-HRCADAONSA-N 2 1 277.412 2.376 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000723696870 802925355 /nfs/dbraw/zinc/92/53/55/802925355.db2.gz ZTEMIMASJHDBML-CYBMUJFWSA-N 2 1 255.365 2.406 20 0 CEADMP CCCC[C@@H](CCC)[NH2+]C1CC[NH+](CCO)CC1 ZINC000398957434 802927200 /nfs/dbraw/zinc/92/72/00/802927200.db2.gz JFFKMDYUKDENTK-CQSZACIVSA-N 2 1 256.434 2.392 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C[NH2+]1 ZINC000398994801 802932834 /nfs/dbraw/zinc/93/28/34/802932834.db2.gz OKRBVPZWRNFECM-TZMCWYRMSA-N 2 1 257.381 2.441 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)C[C@H]1CC[NH3+] ZINC000723895448 802965655 /nfs/dbraw/zinc/96/56/55/802965655.db2.gz WYNNJQSXCAXHST-ZYHUDNBSSA-N 2 1 253.777 2.152 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000724000445 802992958 /nfs/dbraw/zinc/99/29/58/802992958.db2.gz RRHZHRVUQRPHID-HOCLYGCPSA-N 2 1 266.429 2.266 20 0 CEADMP CCCCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266940056 803012018 /nfs/dbraw/zinc/01/20/18/803012018.db2.gz UPUQNAJIDZKLOC-RRFJBIMHSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC1=CCCCC1 ZINC001266949653 803016672 /nfs/dbraw/zinc/01/66/72/803016672.db2.gz VZZDSQDDCLKOCP-GOEBONIOSA-N 2 1 293.455 2.065 20 0 CEADMP CCCC[NH2+][C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001266994269 803044199 /nfs/dbraw/zinc/04/41/99/803044199.db2.gz KFKSTWYRQKXYBI-HOCLYGCPSA-N 2 1 291.439 2.184 20 0 CEADMP CC(C)=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001038238139 803124253 /nfs/dbraw/zinc/12/42/53/803124253.db2.gz FSSBQEMVMHDDNF-JKSUJKDBSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001038238139 803124255 /nfs/dbraw/zinc/12/42/55/803124255.db2.gz FSSBQEMVMHDDNF-JKSUJKDBSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001038238139 803124259 /nfs/dbraw/zinc/12/42/59/803124259.db2.gz FSSBQEMVMHDDNF-JKSUJKDBSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001038238139 803124263 /nfs/dbraw/zinc/12/42/63/803124263.db2.gz FSSBQEMVMHDDNF-JKSUJKDBSA-N 2 1 293.455 2.016 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001207282909 803126188 /nfs/dbraw/zinc/12/61/88/803126188.db2.gz QOJSDTMXBHOSLN-OAHLLOKOSA-N 2 1 277.412 2.123 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001207282909 803126194 /nfs/dbraw/zinc/12/61/94/803126194.db2.gz QOJSDTMXBHOSLN-OAHLLOKOSA-N 2 1 277.412 2.123 20 0 CEADMP CC/C=C\CC[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001267223893 803248896 /nfs/dbraw/zinc/24/88/96/803248896.db2.gz TVNZNEVQCPNYDA-WAYWQWQTSA-N 2 1 295.471 2.123 20 0 CEADMP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)CC1=CCCCC1 ZINC001267257450 803300588 /nfs/dbraw/zinc/30/05/88/803300588.db2.gz WOAWSECYHAPCMR-UHFFFAOYSA-N 2 1 295.471 2.265 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CCO)C1CCCC1 ZINC000725096548 803426286 /nfs/dbraw/zinc/42/62/86/803426286.db2.gz SNQIEHMLDCRTMR-OAHLLOKOSA-N 2 1 265.401 2.112 20 0 CEADMP CC(C)CCC[NH2+]CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001267474591 803498884 /nfs/dbraw/zinc/49/88/84/803498884.db2.gz UZDZBKWAXOBSIX-IYBDPMFKSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C[C@@H]1C[NH3+] ZINC000715397170 814953093 /nfs/dbraw/zinc/95/30/93/814953093.db2.gz WJNUVTOWLLKQFJ-MLEONAHRSA-N 2 1 266.429 2.249 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC[C@@H](C2CC2)O1 ZINC000715402730 814953727 /nfs/dbraw/zinc/95/37/27/814953727.db2.gz MQVCHTHHWJXIGJ-FPCVCCKLSA-N 2 1 264.413 2.160 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(N)c1 ZINC000230698945 803648661 /nfs/dbraw/zinc/64/86/61/803648661.db2.gz UHDWVYGSASGPFI-UHFFFAOYSA-N 2 1 265.401 2.051 20 0 CEADMP COC[C@H]1CCCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207479773 803734332 /nfs/dbraw/zinc/73/43/32/803734332.db2.gz NLDPGFVAVGIZTE-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001267790530 803735299 /nfs/dbraw/zinc/73/52/99/803735299.db2.gz QIAZEFUHKVCRAM-INIZCTEOSA-N 2 1 297.487 2.297 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccccc1N1CCCC1 ZINC001117953722 814969045 /nfs/dbraw/zinc/96/90/45/814969045.db2.gz NPESNTKGXIFCJI-HNNXBMFYSA-N 2 1 261.413 2.360 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(Cl)cccc1N(C)C ZINC001118020799 814976911 /nfs/dbraw/zinc/97/69/11/814976911.db2.gz YZYBCOIMBVJSEU-LLVKDONJSA-N 2 1 269.820 2.351 20 0 CEADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1)[NH+](C)C ZINC001027578159 804134682 /nfs/dbraw/zinc/13/46/82/804134682.db2.gz FIQBXGXCDUCQOZ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001027628748 804164427 /nfs/dbraw/zinc/16/44/27/804164427.db2.gz JTRMQNWSKGADLQ-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001027892967 804325212 /nfs/dbraw/zinc/32/52/12/804325212.db2.gz INXXQAJJRPVPNQ-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027892967 804325217 /nfs/dbraw/zinc/32/52/17/804325217.db2.gz INXXQAJJRPVPNQ-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001027892967 804325224 /nfs/dbraw/zinc/32/52/24/804325224.db2.gz INXXQAJJRPVPNQ-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001027970905 804371794 /nfs/dbraw/zinc/37/17/94/804371794.db2.gz VHXGBCCDPREONL-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001027970905 804371798 /nfs/dbraw/zinc/37/17/98/804371798.db2.gz VHXGBCCDPREONL-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027970905 804371806 /nfs/dbraw/zinc/37/18/06/804371806.db2.gz VHXGBCCDPREONL-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027970905 804371816 /nfs/dbraw/zinc/37/18/16/804371816.db2.gz VHXGBCCDPREONL-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CCNC(=O)[C@@H]1CCC[N@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167834778 804420934 /nfs/dbraw/zinc/42/09/34/804420934.db2.gz MUVJLYGSTJBYJT-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H](C(=O)OC)C2(CC2)C1 ZINC001167836171 804428386 /nfs/dbraw/zinc/42/83/86/804428386.db2.gz WTRJTEPEKDSPBJ-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP CCN1C[C@@H](C)[N@H+]([C@H](C)CCC[NH+](CC)CC)CC1=O ZINC001167840038 804436333 /nfs/dbraw/zinc/43/63/33/804436333.db2.gz DKJUTHANLBEWFN-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722400875 804452812 /nfs/dbraw/zinc/45/28/12/804452812.db2.gz ZNYKLFSMYYGBRG-LLUNPGSJSA-N 2 1 292.345 2.441 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722400875 804452816 /nfs/dbraw/zinc/45/28/16/804452816.db2.gz ZNYKLFSMYYGBRG-LLUNPGSJSA-N 2 1 292.345 2.441 20 0 CEADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207684932 804665660 /nfs/dbraw/zinc/66/56/60/804665660.db2.gz VQUOOCXUUNDFRC-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCN(CC[NH2+]CC1CCC1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001268458820 804702892 /nfs/dbraw/zinc/70/28/92/804702892.db2.gz JIBULJHLOLKYGN-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP N=C(Nc1ccc([C@H]2CCC[NH2+]2)cc1)SCC[NH3+] ZINC001167915306 804708542 /nfs/dbraw/zinc/70/85/42/804708542.db2.gz SSAIYKZABQWCAT-GFCCVEGCSA-N 2 1 264.398 2.150 20 0 CEADMP COC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000721743095 804715143 /nfs/dbraw/zinc/71/51/43/804715143.db2.gz RKJZDDVCXDZLQU-AVOUXACISA-N 2 1 254.418 2.120 20 0 CEADMP CCOc1cc(NC(=[NH2+])SCC[NH3+])cc(OC)c1 ZINC001167916670 804750963 /nfs/dbraw/zinc/75/09/63/804750963.db2.gz VOYQHKRQEDFGTM-UHFFFAOYSA-N 2 1 269.370 2.132 20 0 CEADMP CCCCC[N@H+]1CC[C@H]1CNC(=O)C[C@H](C)n1ccnc1 ZINC001269309753 805122430 /nfs/dbraw/zinc/12/24/30/805122430.db2.gz JACFLMFVRWZPGX-GJZGRUSLSA-N 2 1 292.427 2.215 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001269353088 805140125 /nfs/dbraw/zinc/14/01/25/805140125.db2.gz ZOEVSVDWTPUSHY-MRXNPFEDSA-N 2 1 293.455 2.019 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001269353086 805140322 /nfs/dbraw/zinc/14/03/22/805140322.db2.gz ZOEVSVDWTPUSHY-INIZCTEOSA-N 2 1 293.455 2.019 20 0 CEADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)[NH2+]CC=C(C)C ZINC001269401696 805154439 /nfs/dbraw/zinc/15/44/39/805154439.db2.gz DXBAFOZSTCHTBQ-HZPDHXFCSA-N 2 1 295.471 2.310 20 0 CEADMP COC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960389 805324492 /nfs/dbraw/zinc/32/44/92/805324492.db2.gz YTUCAJJOGBZGPN-PRTUASRFSA-N 2 1 252.402 2.016 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4c(F)cccc4C3)C[C@@H]2C1 ZINC001171436246 815070331 /nfs/dbraw/zinc/07/03/31/815070331.db2.gz CJPCNVITESYMME-QLFBSQMISA-N 2 1 274.383 2.176 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4c(F)cccc4C3)C[C@@H]2C1 ZINC001171436246 815070338 /nfs/dbraw/zinc/07/03/38/815070338.db2.gz CJPCNVITESYMME-QLFBSQMISA-N 2 1 274.383 2.176 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4c(F)cccc4C3)C[C@@H]2C1 ZINC001171436246 815070344 /nfs/dbraw/zinc/07/03/44/815070344.db2.gz CJPCNVITESYMME-QLFBSQMISA-N 2 1 274.383 2.176 20 0 CEADMP C(CC1COC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967541 805488796 /nfs/dbraw/zinc/48/87/96/805488796.db2.gz GWCQTMMTDQSLJO-MQVJKMGUSA-N 2 1 264.413 2.018 20 0 CEADMP C[N@H+]1CCCN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167981954 805515659 /nfs/dbraw/zinc/51/56/59/805515659.db2.gz QOZWIXCONFNHKQ-SJPCQFCGSA-N 2 1 277.456 2.029 20 0 CEADMP C[NH+]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167981954 805515661 /nfs/dbraw/zinc/51/56/61/805515661.db2.gz QOZWIXCONFNHKQ-SJPCQFCGSA-N 2 1 277.456 2.029 20 0 CEADMP C[NH+]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167981954 805515667 /nfs/dbraw/zinc/51/56/67/805515667.db2.gz QOZWIXCONFNHKQ-SJPCQFCGSA-N 2 1 277.456 2.029 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC)CC1 ZINC001029105791 805535903 /nfs/dbraw/zinc/53/59/03/805535903.db2.gz CBAFHSAOCHUHAM-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP c1nn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2c1C[NH2+]CC2 ZINC001167984755 805536885 /nfs/dbraw/zinc/53/68/85/805536885.db2.gz QUNAAGOJKGNQIO-XYPWUTKMSA-N 2 1 286.423 2.107 20 0 CEADMP CCN(C(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000229087087 807236103 /nfs/dbraw/zinc/23/61/03/807236103.db2.gz PZAYHJHWZFYNON-GJZGRUSLSA-N 2 1 295.471 2.084 20 0 CEADMP CCN(C(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000229087087 807236110 /nfs/dbraw/zinc/23/61/10/807236110.db2.gz PZAYHJHWZFYNON-GJZGRUSLSA-N 2 1 295.471 2.084 20 0 CEADMP Cc1cc([NH+]2CCCCC2)ccc1-n1ccnc1C(N)=[NH2+] ZINC001168419111 807262580 /nfs/dbraw/zinc/26/25/80/807262580.db2.gz BJCLUALQMAXKTE-UHFFFAOYSA-N 2 1 283.379 2.455 20 0 CEADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1cc[nH+]cc1Cl ZINC001120906316 807351176 /nfs/dbraw/zinc/35/11/76/807351176.db2.gz HOOKXGZRDVBSOY-TVQRCGJNSA-N 2 1 251.761 2.052 20 0 CEADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1cc[nH+]cc1Cl ZINC001120906316 807351187 /nfs/dbraw/zinc/35/11/87/807351187.db2.gz HOOKXGZRDVBSOY-TVQRCGJNSA-N 2 1 251.761 2.052 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256873 807537045 /nfs/dbraw/zinc/53/70/45/807537045.db2.gz SWRAPJAPTJTKLV-CVEARBPZSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1[nH]c2ncccc2c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205093735 807572043 /nfs/dbraw/zinc/57/20/43/807572043.db2.gz FMHMAPFHHZVFQK-GFCCVEGCSA-N 2 1 258.369 2.185 20 0 CEADMP CN1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716638436 815137095 /nfs/dbraw/zinc/13/70/95/815137095.db2.gz OXCUPKQUOLXWSS-OKYOBFRVSA-N 2 1 299.462 2.333 20 0 CEADMP C[N@@H+]1CC[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)C1 ZINC000716638436 815137096 /nfs/dbraw/zinc/13/70/96/815137096.db2.gz OXCUPKQUOLXWSS-OKYOBFRVSA-N 2 1 299.462 2.333 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)C1 ZINC000716638436 815137100 /nfs/dbraw/zinc/13/71/00/815137100.db2.gz OXCUPKQUOLXWSS-OKYOBFRVSA-N 2 1 299.462 2.333 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716638436 815137101 /nfs/dbraw/zinc/13/71/01/815137101.db2.gz OXCUPKQUOLXWSS-OKYOBFRVSA-N 2 1 299.462 2.333 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716638436 815137103 /nfs/dbraw/zinc/13/71/03/815137103.db2.gz OXCUPKQUOLXWSS-OKYOBFRVSA-N 2 1 299.462 2.333 20 0 CEADMP CC[C@H]1CO[C@@H](C)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699283429 807670799 /nfs/dbraw/zinc/67/07/99/807670799.db2.gz SCXUSUQHCAUWGN-MNFFZHCASA-N 2 1 252.402 2.016 20 0 CEADMP Cc1ncsc1C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699291399 807674468 /nfs/dbraw/zinc/67/44/68/807674468.db2.gz KRJRDUXOQFPLEY-YHWZYXNKSA-N 2 1 265.426 2.414 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(C)C)[C@H](C)C1 ZINC001106336648 807726509 /nfs/dbraw/zinc/72/65/09/807726509.db2.gz XPLDWYIRMADRSS-HUUCEWRRSA-N 2 1 297.487 2.057 20 0 CEADMP CCOc1cc(OC)ccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205130511 807734295 /nfs/dbraw/zinc/73/42/95/807734295.db2.gz GVWCVDRLXCYXKV-CQSZACIVSA-N 2 1 278.396 2.407 20 0 CEADMP CCOc1cc(OC)ccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205130511 807734297 /nfs/dbraw/zinc/73/42/97/807734297.db2.gz GVWCVDRLXCYXKV-CQSZACIVSA-N 2 1 278.396 2.407 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716709653 815143347 /nfs/dbraw/zinc/14/33/47/815143347.db2.gz BYQDUUKUNUQGRM-LLLHUVSDSA-N 2 1 274.408 2.010 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)c1 ZINC001205136102 807762727 /nfs/dbraw/zinc/76/27/27/807762727.db2.gz NXNIFSNWWCRRTI-DZGCQCFKSA-N 2 1 262.397 2.420 20 0 CEADMP CC[C@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235318347 807816951 /nfs/dbraw/zinc/81/69/51/807816951.db2.gz FHLMJOLSIDPJGO-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP COc1cccc2[nH]cc(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)c21 ZINC001205145938 807821130 /nfs/dbraw/zinc/82/11/30/807821130.db2.gz MJWNBCREONELML-NWDGAFQWSA-N 2 1 273.380 2.203 20 0 CEADMP CCOC(=O)[C@H]1CCCC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001236037501 807946756 /nfs/dbraw/zinc/94/67/56/807946756.db2.gz ITZICMIXKBXMJQ-LSDHHAIUSA-N 2 1 282.428 2.184 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC ZINC001099321382 807957675 /nfs/dbraw/zinc/95/76/75/807957675.db2.gz VWUBWDIAVGCRPU-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099321382 807957678 /nfs/dbraw/zinc/95/76/78/807957678.db2.gz VWUBWDIAVGCRPU-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC ZINC001099321382 807957682 /nfs/dbraw/zinc/95/76/82/807957682.db2.gz VWUBWDIAVGCRPU-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](F)[C@@H](O)C2)CC1(C)C ZINC001171632257 815201767 /nfs/dbraw/zinc/20/17/67/815201767.db2.gz YCVUGVYOWAENQV-OLZOCXBDSA-N 2 1 272.408 2.043 20 0 CEADMP COC(=O)[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171631935 815202098 /nfs/dbraw/zinc/20/20/98/815202098.db2.gz QHDHNALXAYSPIV-GFCCVEGCSA-N 2 1 282.428 2.133 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]C(C)C ZINC001171596975 815202996 /nfs/dbraw/zinc/20/29/96/815202996.db2.gz SRTNSKGFTHUBGK-AWEZNQCLSA-N 2 1 285.476 2.390 20 0 CEADMP Cn1cncc1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171613488 815203797 /nfs/dbraw/zinc/20/37/97/815203797.db2.gz LKXPSZOYOHXEHN-UHFFFAOYSA-N 2 1 264.417 2.161 20 0 CEADMP C[NH+]1C(C)(C)CC([NH2+]Cc2cncnc2)CC1(C)C ZINC001171619103 815205051 /nfs/dbraw/zinc/20/50/51/815205051.db2.gz HYQACTCNHUGWRX-UHFFFAOYSA-N 2 1 262.401 2.218 20 0 CEADMP CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646267 808485979 /nfs/dbraw/zinc/48/59/79/808485979.db2.gz FULQVYAACUYWPQ-NVXWUHKLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646267 808485983 /nfs/dbraw/zinc/48/59/83/808485983.db2.gz FULQVYAACUYWPQ-NVXWUHKLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646267 808485986 /nfs/dbraw/zinc/48/59/86/808485986.db2.gz FULQVYAACUYWPQ-NVXWUHKLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[C@@H](n2ccnc2CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171724880 815217829 /nfs/dbraw/zinc/21/78/29/815217829.db2.gz DOWUIANTEXZZTF-GDBMZVCRSA-N 2 1 284.407 2.220 20 0 CEADMP CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120469549 815225554 /nfs/dbraw/zinc/22/55/54/815225554.db2.gz JLKRAPCLYLYTBX-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120469549 815225558 /nfs/dbraw/zinc/22/55/58/815225558.db2.gz JLKRAPCLYLYTBX-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120469549 815225561 /nfs/dbraw/zinc/22/55/61/815225561.db2.gz JLKRAPCLYLYTBX-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OC ZINC000715492596 808667756 /nfs/dbraw/zinc/66/77/56/808667756.db2.gz WCMOWCDMDCRMQK-JXQTWKCFSA-N 2 1 270.417 2.181 20 0 CEADMP C[C@H]1C[C@@H](N2CC([NH+]3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171763782 815226940 /nfs/dbraw/zinc/22/69/40/815226940.db2.gz QUPXIUSQCZTWDY-FUHWJXTLSA-N 2 1 299.462 2.429 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171776098 815231065 /nfs/dbraw/zinc/23/10/65/815231065.db2.gz OIGYEIITCOAFSD-ZIAGYGMSSA-N 2 1 262.372 2.367 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)c2ncc[nH]2)C1 ZINC000353619819 808833319 /nfs/dbraw/zinc/83/33/19/808833319.db2.gz IXDSHJPMNXYAAD-KBPBESRZSA-N 2 1 264.417 2.428 20 0 CEADMP CC(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001272881867 808839814 /nfs/dbraw/zinc/83/98/14/808839814.db2.gz LYWRTKDIBLTWQV-HZPDHXFCSA-N 2 1 297.487 2.247 20 0 CEADMP COc1cccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1OC ZINC001203445564 808849962 /nfs/dbraw/zinc/84/99/62/808849962.db2.gz HPRKHXIAXYHZNN-HIFRSBDPSA-N 2 1 290.407 2.087 20 0 CEADMP COc1cccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1OC ZINC001203445564 808849970 /nfs/dbraw/zinc/84/99/70/808849970.db2.gz HPRKHXIAXYHZNN-HIFRSBDPSA-N 2 1 290.407 2.087 20 0 CEADMP COc1cccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1OC ZINC001203445564 808849978 /nfs/dbraw/zinc/84/99/78/808849978.db2.gz HPRKHXIAXYHZNN-HIFRSBDPSA-N 2 1 290.407 2.087 20 0 CEADMP C[C@@H](O)C[C@H]1CCCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000691351656 808872537 /nfs/dbraw/zinc/87/25/37/808872537.db2.gz RWGNLWHSCMUVET-GDBMZVCRSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033145410 809200542 /nfs/dbraw/zinc/20/05/42/809200542.db2.gz HREWBOKGFJOAPF-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033145410 809200547 /nfs/dbraw/zinc/20/05/47/809200547.db2.gz HREWBOKGFJOAPF-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033145410 809200552 /nfs/dbraw/zinc/20/05/52/809200552.db2.gz HREWBOKGFJOAPF-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCN1CC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172030011 815273437 /nfs/dbraw/zinc/27/34/37/815273437.db2.gz HBROHMJMFLPZLL-BPUTZDHNSA-N 2 1 293.455 2.122 20 0 CEADMP CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033467347 809313084 /nfs/dbraw/zinc/31/30/84/809313084.db2.gz NICVKADUPHGOBL-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000700771177 809352267 /nfs/dbraw/zinc/35/22/67/809352267.db2.gz NVDBLYWAHAVNFU-AWEZNQCLSA-N 2 1 299.459 2.223 20 0 CEADMP COC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)C ZINC001172099386 815283262 /nfs/dbraw/zinc/28/32/62/815283262.db2.gz KHQYKRCHZBWLQW-APIJFGDWSA-N 2 1 254.418 2.262 20 0 CEADMP COC[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001172099386 815283265 /nfs/dbraw/zinc/28/32/65/815283265.db2.gz KHQYKRCHZBWLQW-APIJFGDWSA-N 2 1 254.418 2.262 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C2 ZINC001172100760 815284403 /nfs/dbraw/zinc/28/44/03/815284403.db2.gz SKXMQRSJWCWUKE-WCXIOVBPSA-N 2 1 292.398 2.464 20 0 CEADMP CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033838230 809430151 /nfs/dbraw/zinc/43/01/51/809430151.db2.gz MJXHOMWWIUNHEG-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033838230 809430156 /nfs/dbraw/zinc/43/01/56/809430156.db2.gz MJXHOMWWIUNHEG-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033838230 809430162 /nfs/dbraw/zinc/43/01/62/809430162.db2.gz MJXHOMWWIUNHEG-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172104273 815293771 /nfs/dbraw/zinc/29/37/71/815293771.db2.gz BUIKMNTZRCADHS-FPCVCCKLSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104273 815293776 /nfs/dbraw/zinc/29/37/76/815293776.db2.gz BUIKMNTZRCADHS-FPCVCCKLSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104273 815293778 /nfs/dbraw/zinc/29/37/78/815293778.db2.gz BUIKMNTZRCADHS-FPCVCCKLSA-N 2 1 265.445 2.076 20 0 CEADMP COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172132802 815291263 /nfs/dbraw/zinc/29/12/63/815291263.db2.gz OLCOCVRCBRKRRE-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172132802 815291268 /nfs/dbraw/zinc/29/12/68/815291268.db2.gz OLCOCVRCBRKRRE-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172132802 815291271 /nfs/dbraw/zinc/29/12/71/815291271.db2.gz OLCOCVRCBRKRRE-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172132802 815291274 /nfs/dbraw/zinc/29/12/74/815291274.db2.gz OLCOCVRCBRKRRE-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(F)n1)C2 ZINC001172101847 815294744 /nfs/dbraw/zinc/29/47/44/815294744.db2.gz CCFSUOZEQGHBNG-ZSOGYDGISA-N 2 1 263.360 2.326 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(F)n1)C2 ZINC001172101847 815294749 /nfs/dbraw/zinc/29/47/49/815294749.db2.gz CCFSUOZEQGHBNG-ZSOGYDGISA-N 2 1 263.360 2.326 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)C2 ZINC001172108243 815298208 /nfs/dbraw/zinc/29/82/08/815298208.db2.gz TWPGPPGINMPVIV-FRXHMLBDSA-N 2 1 266.429 2.142 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)C2 ZINC001172108243 815298211 /nfs/dbraw/zinc/29/82/11/815298211.db2.gz TWPGPPGINMPVIV-FRXHMLBDSA-N 2 1 266.429 2.142 20 0 CEADMP CCOC(=O)CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172108571 815298630 /nfs/dbraw/zinc/29/86/30/815298630.db2.gz BRLYYKDLXLROJG-ZSOGYDGISA-N 2 1 280.412 2.077 20 0 CEADMP CCOC(=O)CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172108571 815298636 /nfs/dbraw/zinc/29/86/36/815298636.db2.gz BRLYYKDLXLROJG-ZSOGYDGISA-N 2 1 280.412 2.077 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@]13CCCOC3)C2 ZINC001172111882 815300406 /nfs/dbraw/zinc/30/04/06/815300406.db2.gz XTWXUINYYRUTCT-QRJUGERDSA-N 2 1 264.413 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@]13CCCOC3)C2 ZINC001172111882 815300411 /nfs/dbraw/zinc/30/04/11/815300411.db2.gz XTWXUINYYRUTCT-QRJUGERDSA-N 2 1 264.413 2.160 20 0 CEADMP C[N@@H+](Cc1cncc(Cl)c1)C1CCC([NH3+])CC1 ZINC000702661360 809575365 /nfs/dbraw/zinc/57/53/65/809575365.db2.gz DHDOAYLSHSHUCY-UHFFFAOYSA-N 2 1 253.777 2.437 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[NH+](CC)C2)C1 ZINC001034367764 809588179 /nfs/dbraw/zinc/58/81/79/809588179.db2.gz HQVDWHCIJNSQFP-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCCC[N@H+](CC)C2)C1 ZINC001034367764 809588182 /nfs/dbraw/zinc/58/81/82/809588182.db2.gz HQVDWHCIJNSQFP-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CC)C2)C1 ZINC001034367764 809588188 /nfs/dbraw/zinc/58/81/88/809588188.db2.gz HQVDWHCIJNSQFP-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)C2 ZINC001172116385 815306967 /nfs/dbraw/zinc/30/69/67/815306967.db2.gz HDLOWTDEVUZRLA-ARKGTOAJSA-N 2 1 266.429 2.142 20 0 CEADMP CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113582 815303926 /nfs/dbraw/zinc/30/39/26/815303926.db2.gz DPRXHXGRRMLSFE-QMHWVQJVSA-N 2 1 294.439 2.323 20 0 CEADMP CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113582 815303933 /nfs/dbraw/zinc/30/39/33/815303933.db2.gz DPRXHXGRRMLSFE-QMHWVQJVSA-N 2 1 294.439 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCO[C@H]1CCCCO1)C2 ZINC001172113743 815304228 /nfs/dbraw/zinc/30/42/28/815304228.db2.gz JZLIJGOJANAUMN-FZKCQIBNSA-N 2 1 282.428 2.135 20 0 CEADMP Cc1nc2c(n1[C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC[NH2+]CC2 ZINC001172116620 815306446 /nfs/dbraw/zinc/30/64/46/815306446.db2.gz BMCMUXPCPWZXGB-FICVDOATSA-N 2 1 288.439 2.068 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1Oc3ccccc3O1)C2 ZINC001172117809 815307348 /nfs/dbraw/zinc/30/73/48/815307348.db2.gz NGTKPLQRANSUFH-ZSOGYDGISA-N 2 1 288.391 2.389 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@](F)(CO)CC1)C2 ZINC001172116668 815307562 /nfs/dbraw/zinc/30/75/62/815307562.db2.gz BRFWLRMOEYIVFW-FZKCQIBNSA-N 2 1 284.419 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@](F)(CO)CC1)C2 ZINC001172116668 815307568 /nfs/dbraw/zinc/30/75/68/815307568.db2.gz BRFWLRMOEYIVFW-FZKCQIBNSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@](F)(CO)CC1)C2 ZINC001172116668 815307573 /nfs/dbraw/zinc/30/75/73/815307573.db2.gz BRFWLRMOEYIVFW-FZKCQIBNSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@](F)(CO)CC1)C2 ZINC001172116668 815307580 /nfs/dbraw/zinc/30/75/80/815307580.db2.gz BRFWLRMOEYIVFW-FZKCQIBNSA-N 2 1 284.419 2.188 20 0 CEADMP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001034736768 809678343 /nfs/dbraw/zinc/67/83/43/809678343.db2.gz BPINADAHWOXOCK-JYJNAYRXSA-N 2 1 295.471 2.144 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@](C)(CO)CC1)C2 ZINC001172121431 815311975 /nfs/dbraw/zinc/31/19/75/815311975.db2.gz QITLWAAIYLQTME-YYIAUSFCSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@](C)(CO)CC1)C2 ZINC001172121431 815311980 /nfs/dbraw/zinc/31/19/80/815311980.db2.gz QITLWAAIYLQTME-YYIAUSFCSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@](C)(CO)CC1)C2 ZINC001172121431 815311987 /nfs/dbraw/zinc/31/19/87/815311987.db2.gz QITLWAAIYLQTME-YYIAUSFCSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@](C)(CO)CC1)C2 ZINC001172121431 815311994 /nfs/dbraw/zinc/31/19/94/815311994.db2.gz QITLWAAIYLQTME-YYIAUSFCSA-N 2 1 280.456 2.486 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206157422 815312497 /nfs/dbraw/zinc/31/24/97/815312497.db2.gz YNDZGFCNJAPMKH-HUUCEWRRSA-N 2 1 266.360 2.347 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H]3C[C@H]1C[C@H]3F)C2 ZINC001172121784 815313650 /nfs/dbraw/zinc/31/36/50/815313650.db2.gz MMGMOXFZGGEMNR-RODWMJHOSA-N 2 1 252.377 2.434 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@@H]3C[C@H]1C[C@H]3F)C2 ZINC001172121784 815313653 /nfs/dbraw/zinc/31/36/53/815313653.db2.gz MMGMOXFZGGEMNR-RODWMJHOSA-N 2 1 252.377 2.434 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@@H]3C[C@H]1C[C@H]3F)C2 ZINC001172121784 815313660 /nfs/dbraw/zinc/31/36/60/815313660.db2.gz MMGMOXFZGGEMNR-RODWMJHOSA-N 2 1 252.377 2.434 20 0 CEADMP C([NH2+][C@H](C1CC1)C1CCC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000705299270 809777278 /nfs/dbraw/zinc/77/72/78/809777278.db2.gz LSSVRLHIUIXHJR-JYJNAYRXSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+][C@H](C1CC1)C1CCC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000705299270 809777282 /nfs/dbraw/zinc/77/72/82/809777282.db2.gz LSSVRLHIUIXHJR-JYJNAYRXSA-N 2 1 264.413 2.018 20 0 CEADMP [NH3+]CCc1c[nH+]cn1[C@H]1CSc2ccccc2C1 ZINC001172191993 815319999 /nfs/dbraw/zinc/31/99/99/815319999.db2.gz XITUPZRYBGSYIV-CYBMUJFWSA-N 2 1 259.378 2.274 20 0 CEADMP CCC[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000708991237 809938393 /nfs/dbraw/zinc/93/83/93/809938393.db2.gz LXTTYBYMSXFROT-ZDUSSCGKSA-N 2 1 280.437 2.395 20 0 CEADMP CCC[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000708991237 809938398 /nfs/dbraw/zinc/93/83/98/809938398.db2.gz LXTTYBYMSXFROT-ZDUSSCGKSA-N 2 1 280.437 2.395 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000709829283 809971799 /nfs/dbraw/zinc/97/17/99/809971799.db2.gz UHJZHCZUPZSIRQ-IAGOWNOFSA-N 2 1 274.408 2.450 20 0 CEADMP C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000710692172 809989660 /nfs/dbraw/zinc/98/96/60/809989660.db2.gz BRCXDTVFCYMWGG-LSDHHAIUSA-N 2 1 283.460 2.132 20 0 CEADMP C[C@@H]1COC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000710864368 809997647 /nfs/dbraw/zinc/99/76/47/809997647.db2.gz KGQFAYFSOONXBT-ZBFHGGJFSA-N 2 1 262.397 2.133 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000923361611 810089295 /nfs/dbraw/zinc/08/92/95/810089295.db2.gz HRZQNLLPTUIIFD-FGTMMUONSA-N 2 1 288.435 2.350 20 0 CEADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000923514158 810105890 /nfs/dbraw/zinc/10/58/90/810105890.db2.gz SGNXQHQEQDOOSA-RBSFLKMASA-N 2 1 289.423 2.157 20 0 CEADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000923514158 810105893 /nfs/dbraw/zinc/10/58/93/810105893.db2.gz SGNXQHQEQDOOSA-RBSFLKMASA-N 2 1 289.423 2.157 20 0 CEADMP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015499111 810297689 /nfs/dbraw/zinc/29/76/89/810297689.db2.gz NPPWCOGNEOCSTJ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC1(C)C[C@@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)CO1 ZINC001172287682 815380027 /nfs/dbraw/zinc/38/00/27/815380027.db2.gz AWRNOJIAZFCGEF-OAHLLOKOSA-N 2 1 284.419 2.452 20 0 CEADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001172334019 815393917 /nfs/dbraw/zinc/39/39/17/815393917.db2.gz BRVRZFUNZCOQFH-LUKYLMHMSA-N 2 1 298.471 2.233 20 0 CEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001172334019 815393923 /nfs/dbraw/zinc/39/39/23/815393923.db2.gz BRVRZFUNZCOQFH-LUKYLMHMSA-N 2 1 298.471 2.233 20 0 CEADMP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001172334019 815393930 /nfs/dbraw/zinc/39/39/30/815393930.db2.gz BRVRZFUNZCOQFH-LUKYLMHMSA-N 2 1 298.471 2.233 20 0 CEADMP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001172334019 815393934 /nfs/dbraw/zinc/39/39/34/815393934.db2.gz BRVRZFUNZCOQFH-LUKYLMHMSA-N 2 1 298.471 2.233 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCS[C@H](C(F)(F)F)C2)C1 ZINC000721387374 810800582 /nfs/dbraw/zinc/80/05/82/810800582.db2.gz AYEQUPFJMJIPGC-AEJSXWLSSA-N 2 1 268.348 2.094 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC=C(C)C ZINC001038319658 810822273 /nfs/dbraw/zinc/82/22/73/810822273.db2.gz BNJDXAATANRIEV-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC=C(C)C ZINC001038319658 810822289 /nfs/dbraw/zinc/82/22/89/810822289.db2.gz BNJDXAATANRIEV-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC=C(C)C ZINC001038319658 810822297 /nfs/dbraw/zinc/82/22/97/810822297.db2.gz BNJDXAATANRIEV-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC=C(C)C ZINC001038319658 810822304 /nfs/dbraw/zinc/82/23/04/810822304.db2.gz BNJDXAATANRIEV-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP C[NH2+]CCCCC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001122288980 815400184 /nfs/dbraw/zinc/40/01/84/815400184.db2.gz BSUZJGCWSZUIPC-UHFFFAOYSA-N 2 1 290.411 2.400 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)CC[C@H]1F ZINC001206164043 815401382 /nfs/dbraw/zinc/40/13/82/815401382.db2.gz JDZSXQUKWORTEV-CABCVRRESA-N 2 1 273.355 2.496 20 0 CEADMP CC(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085672627 810871677 /nfs/dbraw/zinc/87/16/77/810871677.db2.gz CLFDFLNSQUSOKN-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085672627 810871679 /nfs/dbraw/zinc/87/16/79/810871679.db2.gz CLFDFLNSQUSOKN-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001085672627 810871686 /nfs/dbraw/zinc/87/16/86/810871686.db2.gz CLFDFLNSQUSOKN-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001085672628 810872911 /nfs/dbraw/zinc/87/29/11/810872911.db2.gz CLFDFLNSQUSOKN-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001085672628 810872918 /nfs/dbraw/zinc/87/29/18/810872918.db2.gz CLFDFLNSQUSOKN-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001085672628 810872923 /nfs/dbraw/zinc/87/29/23/810872923.db2.gz CLFDFLNSQUSOKN-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP COC(=O)c1c(C)cc(C)[nH+]c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001154986382 810883426 /nfs/dbraw/zinc/88/34/26/810883426.db2.gz SDEZGTWNQCXKBI-RYUDHWBXSA-N 2 1 277.368 2.167 20 0 CEADMP CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001085779513 810911558 /nfs/dbraw/zinc/91/15/58/810911558.db2.gz XEMOLRDJOHGHPD-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001085779513 810911564 /nfs/dbraw/zinc/91/15/64/810911564.db2.gz XEMOLRDJOHGHPD-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001085779513 810911569 /nfs/dbraw/zinc/91/15/69/810911569.db2.gz XEMOLRDJOHGHPD-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCOCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172417222 815414127 /nfs/dbraw/zinc/41/41/27/815414127.db2.gz SRYQPMAPUGMHGS-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP CCOCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172417222 815414131 /nfs/dbraw/zinc/41/41/31/815414131.db2.gz SRYQPMAPUGMHGS-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000723679705 811029123 /nfs/dbraw/zinc/02/91/23/811029123.db2.gz ITCKWCBMPOUZMG-NSHDSACASA-N 2 1 278.787 2.158 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328371 811077682 /nfs/dbraw/zinc/07/76/82/811077682.db2.gz OWSYJUQSWSPFDR-INIZCTEOSA-N 2 1 297.487 2.106 20 0 CEADMP CC(C)([NH3+])CC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000381877548 811077733 /nfs/dbraw/zinc/07/77/33/811077733.db2.gz NNMFYBZEDUMCRH-UHFFFAOYSA-N 2 1 275.440 2.368 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000379633424 811123018 /nfs/dbraw/zinc/12/30/18/811123018.db2.gz UKNGVDLNGXFQEB-NXHRZFHOSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379633424 811123022 /nfs/dbraw/zinc/12/30/22/811123022.db2.gz UKNGVDLNGXFQEB-NXHRZFHOSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379633424 811123025 /nfs/dbraw/zinc/12/30/25/811123025.db2.gz UKNGVDLNGXFQEB-NXHRZFHOSA-N 2 1 287.451 2.333 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCCO1 ZINC000379706023 811161673 /nfs/dbraw/zinc/16/16/73/811161673.db2.gz UVHBXCFTEXSAOL-MRXNPFEDSA-N 2 1 274.408 2.333 20 0 CEADMP C([NH2+][C@H]1CC2CCC1CC2)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000382059672 811197172 /nfs/dbraw/zinc/19/71/72/811197172.db2.gz XRYVWAOAXDEQPC-NCOXYXGASA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+][C@H]1CC2CCC1CC2)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000382059672 811197175 /nfs/dbraw/zinc/19/71/75/811197175.db2.gz XRYVWAOAXDEQPC-NCOXYXGASA-N 2 1 264.413 2.018 20 0 CEADMP C[C@H]1CN(Cc2ncc(C(F)(F)F)[nH]2)CCC[C@@H]1C[NH3+] ZINC001205993156 811250582 /nfs/dbraw/zinc/25/05/82/811250582.db2.gz HKPKFINPSFEHEX-VHSXEESVSA-N 2 1 290.333 2.235 20 0 CEADMP COC(=[NH2+])c1cccc(-n2cnc3ccc(C[NH3+])cc32)c1 ZINC001168847899 811279917 /nfs/dbraw/zinc/27/99/17/811279917.db2.gz MEMJFYVALWMBOO-UHFFFAOYSA-N 2 1 280.331 2.456 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]([NH3+])C2)nc1 ZINC001156232968 811293623 /nfs/dbraw/zinc/29/36/23/811293623.db2.gz NAQZYQROMPXXPS-LSDHHAIUSA-N 2 1 274.412 2.166 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CCC[C@@H]1C[NH3+] ZINC001205997026 811349904 /nfs/dbraw/zinc/34/99/04/811349904.db2.gz YSEFGHLXDSOKKC-XJKSGUPXSA-N 2 1 274.408 2.428 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CCC3(COC3)CC1)C2 ZINC001169097576 811369950 /nfs/dbraw/zinc/36/99/50/811369950.db2.gz BXTWKOYIXHKWBN-MUJYYYPQSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CN(Cc3ccccc3)C1)C2 ZINC001169089684 811379921 /nfs/dbraw/zinc/37/99/21/811379921.db2.gz FWBQFZDGENGSPT-LDLYASANSA-N 2 1 299.462 2.333 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCC1C[NH+](Cc3ccccc3)C1)C2 ZINC001169089684 811379931 /nfs/dbraw/zinc/37/99/31/811379931.db2.gz FWBQFZDGENGSPT-LDLYASANSA-N 2 1 299.462 2.333 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCC1C[NH+](Cc3ccccc3)C1)C2 ZINC001169089684 811379940 /nfs/dbraw/zinc/37/99/40/811379940.db2.gz FWBQFZDGENGSPT-LDLYASANSA-N 2 1 299.462 2.333 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cnc3ccccn13)C2 ZINC001169081817 811379998 /nfs/dbraw/zinc/37/99/98/811379998.db2.gz XAZBNZCPAXARPQ-BTTYYORXSA-N 2 1 270.380 2.049 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cnc3ccccn13)C2 ZINC001169081817 811380008 /nfs/dbraw/zinc/38/00/08/811380008.db2.gz XAZBNZCPAXARPQ-BTTYYORXSA-N 2 1 270.380 2.049 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](CCO)c1ccc(F)cc1)C2 ZINC001169090867 811382320 /nfs/dbraw/zinc/38/23/20/811382320.db2.gz MKETYMFFIACPMA-YYIAUSFCSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](CCO)c1ccc(F)cc1)C2 ZINC001169090867 811382330 /nfs/dbraw/zinc/38/23/30/811382330.db2.gz MKETYMFFIACPMA-YYIAUSFCSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccc(N)cc3)CC1)C2 ZINC001169123020 811390352 /nfs/dbraw/zinc/39/03/52/811390352.db2.gz HOHTZSVXBSLWTG-MUJYYYPQSA-N 2 1 271.408 2.473 20 0 CEADMP CC(C)c1nc(CC[N@H+](C)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)no1 ZINC001169125584 811392610 /nfs/dbraw/zinc/39/26/10/811392610.db2.gz JMDYIWGZGSEXOH-WDNDVIMCSA-N 2 1 292.427 2.293 20 0 CEADMP CC(C)c1nc(CC[N@@H+](C)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)no1 ZINC001169125584 811392617 /nfs/dbraw/zinc/39/26/17/811392617.db2.gz JMDYIWGZGSEXOH-WDNDVIMCSA-N 2 1 292.427 2.293 20 0 CEADMP CC(C)c1nc(CC[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC001169125584 811392631 /nfs/dbraw/zinc/39/26/31/811392631.db2.gz JMDYIWGZGSEXOH-WDNDVIMCSA-N 2 1 292.427 2.293 20 0 CEADMP CC(C)c1nc(CC[NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC001169125584 811392643 /nfs/dbraw/zinc/39/26/43/811392643.db2.gz JMDYIWGZGSEXOH-WDNDVIMCSA-N 2 1 292.427 2.293 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CC1)C2 ZINC001169124352 811394180 /nfs/dbraw/zinc/39/41/80/811394180.db2.gz QADPYGSIABSYJM-BTTYYORXSA-N 2 1 294.439 2.323 20 0 CEADMP C[N@H+](Cc1cccc(O)c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126353 811395158 /nfs/dbraw/zinc/39/51/58/811395158.db2.gz SGVNFBPZYNTUMY-FICVDOATSA-N 2 1 260.381 2.449 20 0 CEADMP C[N@@H+](Cc1cccc(O)c1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126353 811395168 /nfs/dbraw/zinc/39/51/68/811395168.db2.gz SGVNFBPZYNTUMY-FICVDOATSA-N 2 1 260.381 2.449 20 0 CEADMP C[NH+](Cc1cccc(O)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126353 811395176 /nfs/dbraw/zinc/39/51/76/811395176.db2.gz SGVNFBPZYNTUMY-FICVDOATSA-N 2 1 260.381 2.449 20 0 CEADMP C[NH+](Cc1cccc(O)c1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126353 811395185 /nfs/dbraw/zinc/39/51/85/811395185.db2.gz SGVNFBPZYNTUMY-FICVDOATSA-N 2 1 260.381 2.449 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169130853 811398744 /nfs/dbraw/zinc/39/87/44/811398744.db2.gz OSVHUTCEYUOXTH-BWTSREIZSA-N 2 1 299.462 2.429 20 0 CEADMP CCOC(=O)C1(C)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169142258 811408830 /nfs/dbraw/zinc/40/88/30/811408830.db2.gz SWMLAUXYRWYPIB-QDMKHBRRSA-N 2 1 294.439 2.277 20 0 CEADMP CCN(CC[NH+]1CCCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142534 811408863 /nfs/dbraw/zinc/40/88/63/811408863.db2.gz CQSKUMUNUNFRPW-FVQHAEBGSA-N 2 1 279.472 2.419 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3ccnn32)CCC[C@H]1C[NH3+] ZINC001206003366 811420063 /nfs/dbraw/zinc/42/00/63/811420063.db2.gz HDBHMVMGSFXLRK-KBPBESRZSA-N 2 1 272.396 2.141 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]c3ccncc23)CCC[C@@H]1C[NH3+] ZINC001206003946 811429339 /nfs/dbraw/zinc/42/93/39/811429339.db2.gz NXSHELDPJLJMND-CHWSQXEVSA-N 2 1 272.396 2.370 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnc3cc[nH]cc2-3)CCC[C@@H]1C[NH3+] ZINC001206003946 811429342 /nfs/dbraw/zinc/42/93/42/811429342.db2.gz NXSHELDPJLJMND-CHWSQXEVSA-N 2 1 272.396 2.370 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc3cc[nH]cc2-3)CCC[C@@H]1C[NH3+] ZINC001206003946 811429347 /nfs/dbraw/zinc/42/93/47/811429347.db2.gz NXSHELDPJLJMND-CHWSQXEVSA-N 3 1 272.396 2.370 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](CC(=O)OC)c2ccccc2)CC1 ZINC001169219456 811434329 /nfs/dbraw/zinc/43/43/29/811434329.db2.gz BJOSNRAAQFRYIK-INIZCTEOSA-N 2 1 290.407 2.365 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](CO)Cc2ccccc2Cl)CC1 ZINC001169229616 811442393 /nfs/dbraw/zinc/44/23/93/811442393.db2.gz FHLXECXSOIQOEG-OAHLLOKOSA-N 2 1 296.842 2.317 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](COCC3CC3)C2)CC1 ZINC001169266647 811455311 /nfs/dbraw/zinc/45/53/11/811455311.db2.gz ZRHVGDQBXGQNJB-OAHLLOKOSA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+]1CCC([N@H+]2CC[C@@H](COCC3CC3)C2)CC1 ZINC001169266647 811455318 /nfs/dbraw/zinc/45/53/18/811455318.db2.gz ZRHVGDQBXGQNJB-OAHLLOKOSA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+]1CCC(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001169244152 811461414 /nfs/dbraw/zinc/46/14/14/811461414.db2.gz DLBOGJNDMOMHBR-GOSISDBHSA-N 2 1 287.451 2.459 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)CC1 ZINC001169254192 811465616 /nfs/dbraw/zinc/46/56/16/811465616.db2.gz SCWNIGOXGSLZPM-SFHVURJKSA-N 2 1 299.418 2.067 20 0 CEADMP CC[NH+]1CCC([N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)CC1 ZINC001169254192 811465618 /nfs/dbraw/zinc/46/56/18/811465618.db2.gz SCWNIGOXGSLZPM-SFHVURJKSA-N 2 1 299.418 2.067 20 0 CEADMP Cc1scnc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206011848 811514044 /nfs/dbraw/zinc/51/40/44/811514044.db2.gz GVWDEEYLRSHPAK-JQWIXIFHSA-N 2 1 253.415 2.258 20 0 CEADMP CC(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001044630297 811516317 /nfs/dbraw/zinc/51/63/17/811516317.db2.gz UZLXDQMCQZSYNE-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1cccc2c(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)[nH]nc21 ZINC001206165086 815458427 /nfs/dbraw/zinc/45/84/27/815458427.db2.gz MCPNGJPBXVZPNU-QWHCGFSZSA-N 2 1 276.359 2.133 20 0 CEADMP Cc1cccc2c(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)[nH]nc21 ZINC001206165086 815458432 /nfs/dbraw/zinc/45/84/32/815458432.db2.gz MCPNGJPBXVZPNU-QWHCGFSZSA-N 2 1 276.359 2.133 20 0 CEADMP [NH3+][C@@H](CO)Cc1c[nH+]cn1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172552577 815459619 /nfs/dbraw/zinc/45/96/19/815459619.db2.gz GOJOKVVDSSUDSV-OAGGEKHMSA-N 2 1 285.391 2.254 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2(C)CC[NH+](CC)CC2)C1 ZINC001045531465 811622814 /nfs/dbraw/zinc/62/28/14/811622814.db2.gz JNQCMGYGXJWHPP-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169797208 811665221 /nfs/dbraw/zinc/66/52/21/811665221.db2.gz BTDGIEKWMRTQPD-GDBMZVCRSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CC)C2)C1)[NH+](C)C ZINC001045946821 811668542 /nfs/dbraw/zinc/66/85/42/811668542.db2.gz BASOUUDRVRIRMY-WBVHZDCISA-N 2 1 295.471 2.051 20 0 CEADMP COc1cncc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1C ZINC001206024389 811713161 /nfs/dbraw/zinc/71/31/61/811713161.db2.gz JIMRFYKABIMMAG-GXTWGEPZSA-N 2 1 277.412 2.205 20 0 CEADMP C1CCC([N@@H+]2CC[C@@H]([NH2+][C@H]3CCCC4(C3)OCCO4)C2)C1 ZINC001169922744 811718838 /nfs/dbraw/zinc/71/88/38/811718838.db2.gz FOJIILNMSYPJOT-LSDHHAIUSA-N 2 1 294.439 2.279 20 0 CEADMP C1CCC([N@H+]2CC[C@@H]([NH2+][C@H]3CCCC4(C3)OCCO4)C2)C1 ZINC001169922744 811718844 /nfs/dbraw/zinc/71/88/44/811718844.db2.gz FOJIILNMSYPJOT-LSDHHAIUSA-N 2 1 294.439 2.279 20 0 CEADMP CCCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001046317139 811736462 /nfs/dbraw/zinc/73/64/62/811736462.db2.gz SGGWWTIECUSIAG-WBVHZDCISA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046317139 811736467 /nfs/dbraw/zinc/73/64/67/811736467.db2.gz SGGWWTIECUSIAG-WBVHZDCISA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001046317139 811736470 /nfs/dbraw/zinc/73/64/70/811736470.db2.gz SGGWWTIECUSIAG-WBVHZDCISA-N 2 1 295.471 2.240 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC001172611122 815473137 /nfs/dbraw/zinc/47/31/37/815473137.db2.gz LRWMRAHNQQWPML-GDBMZVCRSA-N 2 1 294.439 2.278 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2cncc3ccccc32)CC[C@@H]1F ZINC001206174652 815491593 /nfs/dbraw/zinc/49/15/93/815491593.db2.gz OOSXIKZJHCVKHM-JKSUJKDBSA-N 2 1 273.355 2.496 20 0 CEADMP Cn1ccc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)ccc21 ZINC001206174773 815492766 /nfs/dbraw/zinc/49/27/66/815492766.db2.gz PJRZLGCOEMJDFK-HUUCEWRRSA-N 2 1 275.371 2.440 20 0 CEADMP Cn1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)ccc21 ZINC001206174773 815492772 /nfs/dbraw/zinc/49/27/72/815492772.db2.gz PJRZLGCOEMJDFK-HUUCEWRRSA-N 2 1 275.371 2.440 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3Cc4ccc(Cl)cc4C3)C[C@@H]2C1 ZINC001172721492 815493083 /nfs/dbraw/zinc/49/30/83/815493083.db2.gz GQEVSJHNLCXKFX-IJEWVQPXSA-N 2 1 276.811 2.301 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3Cc4ccc(Cl)cc4C3)C[C@@H]2C1 ZINC001172721492 815493087 /nfs/dbraw/zinc/49/30/87/815493087.db2.gz GQEVSJHNLCXKFX-IJEWVQPXSA-N 2 1 276.811 2.301 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3Cc4ccc(Cl)cc4C3)C[C@@H]2C1 ZINC001172721492 815493093 /nfs/dbraw/zinc/49/30/93/815493093.db2.gz GQEVSJHNLCXKFX-IJEWVQPXSA-N 2 1 276.811 2.301 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172765473 815512812 /nfs/dbraw/zinc/51/28/12/815512812.db2.gz GFVYICQJQWIYAE-NPJQDHAYSA-N 2 1 294.439 2.323 20 0 CEADMP CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049708310 812196108 /nfs/dbraw/zinc/19/61/08/812196108.db2.gz FPULUDIKHBSMAH-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](CCC[NH3+])C(C)C)CC1 ZINC001172768005 815513660 /nfs/dbraw/zinc/51/36/60/815513660.db2.gz NIQQMQWOUHMWPF-KBPBESRZSA-N 2 1 270.417 2.168 20 0 CEADMP CC(C)CCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001113344117 812223450 /nfs/dbraw/zinc/22/34/50/812223450.db2.gz OAQCCJZFKFYXDD-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001113344118 812223738 /nfs/dbraw/zinc/22/37/38/812223738.db2.gz OAQCCJZFKFYXDD-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+](CC(CC)CC)CC1 ZINC001113571618 812279265 /nfs/dbraw/zinc/27/92/65/812279265.db2.gz XYECAVAVASWXBZ-UHFFFAOYSA-N 2 1 297.487 2.299 20 0 CEADMP C[C@H]1CC[C@@H](N2CC[NH+](CC3CC[NH+](C)CC3)CC2)C1 ZINC001170156355 812284611 /nfs/dbraw/zinc/28/46/11/812284611.db2.gz DPGWXTPYGIFAGF-DOTOQJQBSA-N 2 1 279.472 2.134 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC001172792226 815524075 /nfs/dbraw/zinc/52/40/75/815524075.db2.gz PSHJUEHIHZCLKP-CVEARBPZSA-N 2 1 296.455 2.382 20 0 CEADMP CC[C@H]1C[C@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CCO1 ZINC001170214618 812339451 /nfs/dbraw/zinc/33/94/51/812339451.db2.gz ROLLRONKIQANQS-CVEARBPZSA-N 2 1 278.440 2.362 20 0 CEADMP CC[C@H]1C[C@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CCO1 ZINC001170214618 812339461 /nfs/dbraw/zinc/33/94/61/812339461.db2.gz ROLLRONKIQANQS-CVEARBPZSA-N 2 1 278.440 2.362 20 0 CEADMP CC[C@H]1C[C@H]([NH+]2CCC([NH+]3CCC3)CC2)CCO1 ZINC001170242699 812352383 /nfs/dbraw/zinc/35/23/83/812352383.db2.gz KEWBDRNCPCWISL-CABCVRRESA-N 2 1 252.402 2.114 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001170223438 812357842 /nfs/dbraw/zinc/35/78/42/812357842.db2.gz UNQPLIXJUBQYFY-UHFFFAOYSA-N 2 1 295.471 2.315 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+]C2(C3CCOCC3)CC2)CC1 ZINC001254501779 812409620 /nfs/dbraw/zinc/40/96/20/812409620.db2.gz XLIBVEODUPWHQF-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP Nc1cccc(N2C[C@@H](CC[NH3+])c3ccccc32)[nH+]1 ZINC001157739630 812420605 /nfs/dbraw/zinc/42/06/05/812420605.db2.gz MTJODHPFJRLYQA-LLVKDONJSA-N 2 1 254.337 2.248 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254528578 812442067 /nfs/dbraw/zinc/44/20/67/812442067.db2.gz HMTSZSMJYUJXEN-GOEBONIOSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254528578 812442071 /nfs/dbraw/zinc/44/20/71/812442071.db2.gz HMTSZSMJYUJXEN-GOEBONIOSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254528578 812442076 /nfs/dbraw/zinc/44/20/76/812442076.db2.gz HMTSZSMJYUJXEN-GOEBONIOSA-N 2 1 282.428 2.136 20 0 CEADMP Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001172824756 815527050 /nfs/dbraw/zinc/52/70/50/815527050.db2.gz AFYSUNAQUBEGTF-YOEHRIQHSA-N 2 1 258.409 2.394 20 0 CEADMP CCCC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001052869771 812471172 /nfs/dbraw/zinc/47/11/72/812471172.db2.gz LWSDSZCOJWOZJS-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001052869771 812471176 /nfs/dbraw/zinc/47/11/76/812471176.db2.gz LWSDSZCOJWOZJS-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052869771 812471181 /nfs/dbraw/zinc/47/11/81/812471181.db2.gz LWSDSZCOJWOZJS-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129423331 812492668 /nfs/dbraw/zinc/49/26/68/812492668.db2.gz SFRXPOGJAVIXPX-INIZCTEOSA-N 2 1 297.487 2.391 20 0 CEADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CCCC(C)(C)C ZINC001129841580 812512929 /nfs/dbraw/zinc/51/29/29/812512929.db2.gz OXSTXIKHEINSJQ-HNNXBMFYSA-N 2 1 297.487 2.393 20 0 CEADMP CC/C=C\CC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130188582 812541086 /nfs/dbraw/zinc/54/10/86/812541086.db2.gz GSFURXPJYSEBEJ-HFZJXRFXSA-N 2 1 293.455 2.065 20 0 CEADMP Cc1c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)nc2ccccn12 ZINC001137269483 812562860 /nfs/dbraw/zinc/56/28/60/812562860.db2.gz OXVIFEVEJISNOP-CABCVRRESA-N 2 1 284.407 2.026 20 0 CEADMP Cc1c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)nc2ccccn12 ZINC001137269483 812562866 /nfs/dbraw/zinc/56/28/66/812562866.db2.gz OXVIFEVEJISNOP-CABCVRRESA-N 2 1 284.407 2.026 20 0 CEADMP Cc1c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)nc2ccccn12 ZINC001137269483 812562868 /nfs/dbraw/zinc/56/28/68/812562868.db2.gz OXVIFEVEJISNOP-CABCVRRESA-N 2 1 284.407 2.026 20 0 CEADMP Cc1c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)nc2ccccn12 ZINC001137269483 812562874 /nfs/dbraw/zinc/56/28/74/812562874.db2.gz OXVIFEVEJISNOP-CABCVRRESA-N 2 1 284.407 2.026 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CC2CC2)C1 ZINC001132153297 812791204 /nfs/dbraw/zinc/79/12/04/812791204.db2.gz PWTYHDNSJWKJNK-DZGCQCFKSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CC2)C1 ZINC001132153297 812791206 /nfs/dbraw/zinc/79/12/06/812791206.db2.gz PWTYHDNSJWKJNK-DZGCQCFKSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CC2)C1 ZINC001132153297 812791211 /nfs/dbraw/zinc/79/12/11/812791211.db2.gz PWTYHDNSJWKJNK-DZGCQCFKSA-N 2 1 295.471 2.096 20 0 CEADMP CCCCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132278031 812817558 /nfs/dbraw/zinc/81/75/58/812817558.db2.gz LIOGGBZPWQDFJW-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC(C)C)C1 ZINC001132435890 812849072 /nfs/dbraw/zinc/84/90/72/812849072.db2.gz HMVHNUJCMCVUCA-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(C)C)C1 ZINC001132435890 812849079 /nfs/dbraw/zinc/84/90/79/812849079.db2.gz HMVHNUJCMCVUCA-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(C)C)C1 ZINC001132435890 812849088 /nfs/dbraw/zinc/84/90/88/812849088.db2.gz HMVHNUJCMCVUCA-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132434432 812849631 /nfs/dbraw/zinc/84/96/31/812849631.db2.gz WVOSYBCTQVDHLL-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132518901 812870101 /nfs/dbraw/zinc/87/01/01/812870101.db2.gz PYZIYRDHCWBKBE-HOTGVXAUSA-N 2 1 297.487 2.342 20 0 CEADMP CC(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132518901 812870109 /nfs/dbraw/zinc/87/01/09/812870109.db2.gz PYZIYRDHCWBKBE-HOTGVXAUSA-N 2 1 297.487 2.342 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]CCC(C)(C)C)C1 ZINC001132738034 812935461 /nfs/dbraw/zinc/93/54/61/812935461.db2.gz UGCCWFNJIXPWIF-OAHLLOKOSA-N 2 1 297.487 2.250 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052369002 812983978 /nfs/dbraw/zinc/98/39/78/812983978.db2.gz OKSJSSLSASRTKO-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052369002 812983989 /nfs/dbraw/zinc/98/39/89/812983989.db2.gz OKSJSSLSASRTKO-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052369002 812983994 /nfs/dbraw/zinc/98/39/94/812983994.db2.gz OKSJSSLSASRTKO-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052369004 812984305 /nfs/dbraw/zinc/98/43/05/812984305.db2.gz OKSJSSLSASRTKO-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052369004 812984308 /nfs/dbraw/zinc/98/43/08/812984308.db2.gz OKSJSSLSASRTKO-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052369004 812984310 /nfs/dbraw/zinc/98/43/10/812984310.db2.gz OKSJSSLSASRTKO-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170670498 813012718 /nfs/dbraw/zinc/01/27/18/813012718.db2.gz RXAHUTHQGXHJRQ-GXFFZTMASA-N 2 1 268.351 2.349 20 0 CEADMP CC[NH+](CC)C1CCC([NH2+][C@@H](C(=O)OC)C2CC2)CC1 ZINC001173101987 815580805 /nfs/dbraw/zinc/58/08/05/815580805.db2.gz RMDOTFYZIDWWHY-YMAMQOFZSA-N 2 1 282.428 2.181 20 0 CEADMP c1ccc2ncc(CNC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc2c1 ZINC000387900431 813224342 /nfs/dbraw/zinc/22/43/42/813224342.db2.gz QAABMXNRZXJETR-IAGOWNOFSA-N 2 1 297.402 2.188 20 0 CEADMP c1ccc2ncc(C[NH2+]C[C@@H]3CN4CCC[C@@H]4CO3)cc2c1 ZINC000387900431 813224347 /nfs/dbraw/zinc/22/43/47/813224347.db2.gz QAABMXNRZXJETR-IAGOWNOFSA-N 2 1 297.402 2.188 20 0 CEADMP CC/C=C\CC[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134570795 813290440 /nfs/dbraw/zinc/29/04/40/813290440.db2.gz YUSJKSCWNQUYKR-WAYWQWQTSA-N 2 1 292.427 2.069 20 0 CEADMP C1CCC([N@@H+]2CC[C@@H]([NH2+][C@H]3CCCOCC3)C2)C1 ZINC001170797093 813373225 /nfs/dbraw/zinc/37/32/25/813373225.db2.gz SZFCOEGQKHNCPL-UONOGXRCSA-N 2 1 252.402 2.162 20 0 CEADMP C1CCC([N@H+]2CC[C@@H]([NH2+][C@H]3CCCOCC3)C2)C1 ZINC001170797093 813373227 /nfs/dbraw/zinc/37/32/27/813373227.db2.gz SZFCOEGQKHNCPL-UONOGXRCSA-N 2 1 252.402 2.162 20 0 CEADMP CC/C=C\CC[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135306830 813402928 /nfs/dbraw/zinc/40/29/28/813402928.db2.gz BKSRAEGGBMKSSV-PLNGDYQASA-N 2 1 292.427 2.034 20 0 CEADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072072360 813540577 /nfs/dbraw/zinc/54/05/77/813540577.db2.gz JCLULOVIWBLVDK-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(C)C ZINC001135860357 813548350 /nfs/dbraw/zinc/54/83/50/813548350.db2.gz ARTBOUQMKBPZBD-LSDHHAIUSA-N 2 1 285.476 2.247 20 0 CEADMP C[C@H]1CN(C[C@@H]([NH3+])CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000396354041 813565543 /nfs/dbraw/zinc/56/55/43/813565543.db2.gz ZVCINTOIFGROPM-ZFWWWQNUSA-N 2 1 297.393 2.175 20 0 CEADMP C[C@H]1CN(c2cc[nH+]cc2CO)CC[N@H+]1Cc1ccccc1 ZINC000396370301 813565851 /nfs/dbraw/zinc/56/58/51/813565851.db2.gz QMCFFZDGUZUFRG-HNNXBMFYSA-N 2 1 297.402 2.285 20 0 CEADMP Cc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000397053448 813597469 /nfs/dbraw/zinc/59/74/69/813597469.db2.gz ZIGCECQRABSSFR-MQVJKMGUSA-N 2 1 259.397 2.413 20 0 CEADMP Cc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000397053448 813597474 /nfs/dbraw/zinc/59/74/74/813597474.db2.gz ZIGCECQRABSSFR-MQVJKMGUSA-N 2 1 259.397 2.413 20 0 CEADMP CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086820141 813624789 /nfs/dbraw/zinc/62/47/89/813624789.db2.gz RFFUMICDFKJBLM-ARFHVFGLSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCNCC2)C[C@@H]1C ZINC001246085995 813676001 /nfs/dbraw/zinc/67/60/01/813676001.db2.gz BHULYCIRZOEAHU-PMPSAXMXSA-N 2 1 267.461 2.086 20 0 CEADMP CC[C@@H]1CC([NH2+][C@H]2CCC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246097955 813686570 /nfs/dbraw/zinc/68/65/70/813686570.db2.gz QBGWTXLKHXYYRJ-MCIONIFRSA-N 3 1 253.434 2.027 20 0 CEADMP CCCC[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H](C)C2)CC[NH2+]1 ZINC001246098900 813687854 /nfs/dbraw/zinc/68/78/54/813687854.db2.gz KNFIPGFXUADBQV-KLHDSHLOSA-N 3 1 267.461 2.132 20 0 CEADMP C([NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CCCC[NH2+]C1 ZINC001246115688 813706748 /nfs/dbraw/zinc/70/67/48/813706748.db2.gz ZYRQFZYOMPYPNH-JKSUJKDBSA-N 3 1 279.472 2.421 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+][C@H](CO)CC2CCCCC2)C[NH2+]1 ZINC001246228098 813739158 /nfs/dbraw/zinc/73/91/58/813739158.db2.gz DGCCITWBXMDUJK-YUELXQCFSA-N 2 1 254.418 2.048 20 0 CEADMP CC(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074648811 813840660 /nfs/dbraw/zinc/84/06/60/813840660.db2.gz JEKHQQFZICRCTJ-HRCADAONSA-N 2 1 295.471 2.094 20 0 CEADMP CC[C@@]1([NH2+][C@@H](C)Cc2cccc(F)c2)CC[NH2+]C1 ZINC001246459384 813841004 /nfs/dbraw/zinc/84/10/04/813841004.db2.gz JXSMXTCMMDTHBT-SWLSCSKDSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246541317 813956599 /nfs/dbraw/zinc/95/65/99/813956599.db2.gz FVCWNSLFNRRLIT-XJKSGUPXSA-N 2 1 296.842 2.447 20 0 CEADMP C[NH+]1CCC2(C[NH+](Cc3[nH]nc4ccc(F)cc43)C2)CC1 ZINC001144202843 813995539 /nfs/dbraw/zinc/99/55/39/813995539.db2.gz XOXPAFSJGXRYQM-UHFFFAOYSA-N 2 1 288.370 2.230 20 0 CEADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246549564 813998102 /nfs/dbraw/zinc/99/81/02/813998102.db2.gz MMXOGGHDUHWERY-PMPSAXMXSA-N 3 1 283.435 2.062 20 0 CEADMP [NH3+][C@@H]1CCCC[N@@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001246557775 814035018 /nfs/dbraw/zinc/03/50/18/814035018.db2.gz HKOWBMDGRGVXCP-ZIAGYGMSSA-N 2 1 262.372 2.496 20 0 CEADMP [NH3+][C@@H]1CCCC[N@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001246557775 814035024 /nfs/dbraw/zinc/03/50/24/814035024.db2.gz HKOWBMDGRGVXCP-ZIAGYGMSSA-N 2 1 262.372 2.496 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)C1 ZINC001246559092 814041058 /nfs/dbraw/zinc/04/10/58/814041058.db2.gz ONBYZVUGHJBZKM-XGUBFFRZSA-N 2 1 282.428 2.025 20 0 CEADMP CCOC(=O)CCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246568546 814068290 /nfs/dbraw/zinc/06/82/90/814068290.db2.gz PEVHZIDDEYEFNS-KKUMJFAQSA-N 2 1 284.444 2.415 20 0 CEADMP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001100187566 814070477 /nfs/dbraw/zinc/07/04/77/814070477.db2.gz BOVDZSINQRVPCZ-GPANFISMSA-N 2 1 295.471 2.001 20 0 CEADMP Cc1nccn1CCC[N@H+](C)Cc1ccnc(N(C)C)c1 ZINC000754072451 814115926 /nfs/dbraw/zinc/11/59/26/814115926.db2.gz ZGQRHEVYOCIQEE-UHFFFAOYSA-N 2 1 287.411 2.175 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccnc(N(C)C)c1 ZINC000754072451 814115931 /nfs/dbraw/zinc/11/59/31/814115931.db2.gz ZGQRHEVYOCIQEE-UHFFFAOYSA-N 2 1 287.411 2.175 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccnc(N(C)C)c1 ZINC000754072451 814115936 /nfs/dbraw/zinc/11/59/36/814115936.db2.gz ZGQRHEVYOCIQEE-UHFFFAOYSA-N 2 1 287.411 2.175 20 0 CEADMP [NH3+]C[C@H]1CCCC[N@H+]([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001246582560 814158581 /nfs/dbraw/zinc/15/85/81/814158581.db2.gz NTKHDMMPMSKIEM-TZMCWYRMSA-N 2 1 262.372 2.354 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H](C[NH3+])C2)C1 ZINC001246585590 814169059 /nfs/dbraw/zinc/16/90/59/814169059.db2.gz YEWPWDNDSBLNSH-KFWWJZLASA-N 2 1 282.428 2.169 20 0 CEADMP CC[NH+](CC)[C@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC001256201406 814183387 /nfs/dbraw/zinc/18/33/87/814183387.db2.gz BHOCDPGPPZRFLB-KOMQPUFPSA-N 3 1 267.461 2.323 20 0 CEADMP C1CC2(C[C@H]1[N@H+]1CC[C@]3(C1)CCCC[NH2+]3)CC[NH2+]CC2 ZINC001246618546 814216656 /nfs/dbraw/zinc/21/66/56/814216656.db2.gz GKNCRLOCJBBWOT-RDJZCZTQSA-N 3 1 277.456 2.127 20 0 CEADMP C1CC2(C[C@H]1N1CC[C@]3(C1)CCCC[NH2+]3)CC[NH2+]CC2 ZINC001246618546 814216663 /nfs/dbraw/zinc/21/66/63/814216663.db2.gz GKNCRLOCJBBWOT-RDJZCZTQSA-N 2 1 277.456 2.127 20 0 CEADMP C1CC2(C[C@H]1[N@@H+]1CC[C@]3(C1)CCCCN3)CC[NH2+]CC2 ZINC001246618546 814216670 /nfs/dbraw/zinc/21/66/70/814216670.db2.gz GKNCRLOCJBBWOT-RDJZCZTQSA-N 2 1 277.456 2.127 20 0 CEADMP C1CC2(C[C@H]1[N@H+]1CC[C@]3(C1)CCCCN3)CC[NH2+]CC2 ZINC001246618546 814216679 /nfs/dbraw/zinc/21/66/79/814216679.db2.gz GKNCRLOCJBBWOT-RDJZCZTQSA-N 2 1 277.456 2.127 20 0 CEADMP Cc1[nH+]ccn1CCCN(C)Cn1cc(C)cnc1=S ZINC000758351911 814232409 /nfs/dbraw/zinc/23/24/09/814232409.db2.gz WFHRGZIPYSKGCC-UHFFFAOYSA-N 2 1 291.424 2.406 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246646978 814243106 /nfs/dbraw/zinc/24/31/06/814243106.db2.gz REEDGNNESUTXOE-ZACQAIPSSA-N 3 1 279.472 2.371 20 0 CEADMP COc1ccccc1CC[N@@H+](C)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246813946 814265570 /nfs/dbraw/zinc/26/55/70/814265570.db2.gz MYXWIYIOWUXEIY-HIFRSBDPSA-N 2 1 262.397 2.310 20 0 CEADMP COc1ccccc1CC[N@@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246813945 814266828 /nfs/dbraw/zinc/26/68/28/814266828.db2.gz MYXWIYIOWUXEIY-DZGCQCFKSA-N 2 1 262.397 2.310 20 0 CEADMP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146331883 814274531 /nfs/dbraw/zinc/27/45/31/814274531.db2.gz DRBMPKCUXRVYAU-ZIAGYGMSSA-N 2 1 294.443 2.255 20 0 CEADMP [NH3+][C@]12CC[C@H]1C[N@H+]([C@@H]1CSc3ccccc3C1)C2 ZINC001246853282 814290038 /nfs/dbraw/zinc/29/00/38/814290038.db2.gz LOEXHUTTYJFZDE-YDHLFZDLSA-N 2 1 260.406 2.127 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CC(C)C)C[C@H]1C ZINC001102101106 814361457 /nfs/dbraw/zinc/36/14/57/814361457.db2.gz NDOLUOSARBSFOP-HUUCEWRRSA-N 2 1 297.487 2.057 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C ZINC001102101106 814361464 /nfs/dbraw/zinc/36/14/64/814361464.db2.gz NDOLUOSARBSFOP-HUUCEWRRSA-N 2 1 297.487 2.057 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001102101106 814361474 /nfs/dbraw/zinc/36/14/74/814361474.db2.gz NDOLUOSARBSFOP-HUUCEWRRSA-N 2 1 297.487 2.057 20 0 CEADMP C[C@H]1C[C@H]([NH+]2CCC3(CCOC3(C)C)CC2)CC[NH2+]1 ZINC001246945735 814461775 /nfs/dbraw/zinc/46/17/75/814461775.db2.gz LTZYXVHMIVHYCZ-UONOGXRCSA-N 2 1 266.429 2.408 20 0 CEADMP CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103408486 814499749 /nfs/dbraw/zinc/49/97/49/814499749.db2.gz DLKVWODWEDYIGL-BZUAXINKSA-N 2 1 297.487 2.057 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](O)[C@@H](F)CC2)CC1 ZINC001173108314 815582471 /nfs/dbraw/zinc/58/24/71/815582471.db2.gz BGHSKAAOBWHPJF-SSHXOBKSSA-N 2 1 286.435 2.434 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@](C)(CO)C2)CC1 ZINC001173110823 815582502 /nfs/dbraw/zinc/58/25/02/815582502.db2.gz YZZIXBXZJWEYJI-GPANFISMSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](C)[C@H]2CCN(C)C2)CC1 ZINC001173114312 815583869 /nfs/dbraw/zinc/58/38/69/815583869.db2.gz GDKAGWHUBRRVDN-GPANFISMSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3C[C@H]2CO3)CC1 ZINC001173114528 815584499 /nfs/dbraw/zinc/58/44/99/815584499.db2.gz NUQDKZHNAVNFMQ-WUCCLRPBSA-N 2 1 252.402 2.113 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCc3ncsc3C2)CC1 ZINC001173120073 815585892 /nfs/dbraw/zinc/58/58/92/815585892.db2.gz CKMVSAYUPOSQDJ-LBPRGKRZSA-N 2 1 265.426 2.074 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCC3(CCC3)O2)C[C@@H]1C(F)(F)F ZINC000712485325 814750003 /nfs/dbraw/zinc/75/00/03/814750003.db2.gz MQZAYQLZQCJCEE-UTUOFQBUSA-N 2 1 292.345 2.157 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)O2)C[C@@H]1C(F)(F)F ZINC000712485325 814750005 /nfs/dbraw/zinc/75/00/05/814750005.db2.gz MQZAYQLZQCJCEE-UTUOFQBUSA-N 2 1 292.345 2.157 20 0 CEADMP C([C@H]1CCC2(CCC2)O1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000712503561 814751918 /nfs/dbraw/zinc/75/19/18/814751918.db2.gz OOXPDBGYEBIKGV-HUUCEWRRSA-N 2 1 264.413 2.164 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCc2ncsc2C1 ZINC001173124559 815588219 /nfs/dbraw/zinc/58/82/19/815588219.db2.gz QWXVUTHWWOBLED-RYUDHWBXSA-N 2 1 265.426 2.074 20 0 CEADMP C[C@H]1CCC[N@@H+]1CC[NH2+]CCc1ccc(F)cc1 ZINC001116502048 814858811 /nfs/dbraw/zinc/85/88/11/814858811.db2.gz PCRHJSBSAMEZRY-ZDUSSCGKSA-N 2 1 250.361 2.442 20 0 CEADMP C[C@H]1CCC[N@H+]1CC[NH2+]CCc1ccc(F)cc1 ZINC001116502048 814858813 /nfs/dbraw/zinc/85/88/13/814858813.db2.gz PCRHJSBSAMEZRY-ZDUSSCGKSA-N 2 1 250.361 2.442 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000714998351 814921362 /nfs/dbraw/zinc/92/13/62/814921362.db2.gz GGKRAFYWHZIAAB-GDBMZVCRSA-N 2 1 260.381 2.269 20 0 CEADMP CC[N@H+]1CC[C@@H](N(CCC[NH3+])C2CCCCC2)C1 ZINC001173351722 815687677 /nfs/dbraw/zinc/68/76/77/815687677.db2.gz YQGLMTIZVXTVBO-OAHLLOKOSA-N 2 1 253.434 2.064 20 0 CEADMP CCN1CC[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001173351722 815687680 /nfs/dbraw/zinc/68/76/80/815687680.db2.gz YQGLMTIZVXTVBO-OAHLLOKOSA-N 2 1 253.434 2.064 20 0 CEADMP CCN1CC[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001173351722 815687683 /nfs/dbraw/zinc/68/76/83/815687683.db2.gz YQGLMTIZVXTVBO-OAHLLOKOSA-N 2 1 253.434 2.064 20 0 CEADMP CC[N@H+]1CC[C@@H](N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)C1 ZINC001173355826 815696613 /nfs/dbraw/zinc/69/66/13/815696613.db2.gz XOZZWVXRFZDFJE-AWDGRILASA-N 2 1 291.483 2.310 20 0 CEADMP CC[N@H+]1CC[C@@H](n2cncc2-c2ccc(C[NH3+])cc2)C1 ZINC001173356968 815698232 /nfs/dbraw/zinc/69/82/32/815698232.db2.gz HVDUXVUTUWTTFF-OAHLLOKOSA-N 2 1 270.380 2.276 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001173364688 815702524 /nfs/dbraw/zinc/70/25/24/815702524.db2.gz XYTPXRCLTQGZEQ-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP CC[NH+]1CC[C@@H](N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001173364688 815702527 /nfs/dbraw/zinc/70/25/27/815702527.db2.gz XYTPXRCLTQGZEQ-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP CC[NH+]1CC[C@@H](N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001173364688 815702531 /nfs/dbraw/zinc/70/25/31/815702531.db2.gz XYTPXRCLTQGZEQ-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP CC[N@H+]1CC[C@H](N2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001173370595 815706978 /nfs/dbraw/zinc/70/69/78/815706978.db2.gz ISGGZXKHRGCMRM-ULQDDVLXSA-N 2 1 279.472 2.419 20 0 CEADMP CC[NH+]1CC[C@H](N2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001173370595 815706982 /nfs/dbraw/zinc/70/69/82/815706982.db2.gz ISGGZXKHRGCMRM-ULQDDVLXSA-N 2 1 279.472 2.419 20 0 CEADMP CC[NH+]1CC[C@H](N2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001173370595 815706986 /nfs/dbraw/zinc/70/69/86/815706986.db2.gz ISGGZXKHRGCMRM-ULQDDVLXSA-N 2 1 279.472 2.419 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001173437866 815715916 /nfs/dbraw/zinc/71/59/16/815715916.db2.gz SIHLIXQIYSXKLK-KBPBESRZSA-N 2 1 270.417 2.182 20 0 CEADMP COC(=O)CCCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001173438172 815716063 /nfs/dbraw/zinc/71/60/63/815716063.db2.gz YEJIJFRECOQXRC-APIJFGDWSA-N 2 1 282.428 2.323 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CCCCC(=O)OC)C[C@@H]2C1 ZINC001173459554 815738618 /nfs/dbraw/zinc/73/86/18/815738618.db2.gz NWIJSIXSABUMFS-OAGGEKHMSA-N 2 1 296.455 2.382 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CCCCC(=O)OC)C[C@@H]2C1 ZINC001173459554 815738621 /nfs/dbraw/zinc/73/86/21/815738621.db2.gz NWIJSIXSABUMFS-OAGGEKHMSA-N 2 1 296.455 2.382 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC001138542296 815822850 /nfs/dbraw/zinc/82/28/50/815822850.db2.gz CIMVVZOTLBASGO-INIZCTEOSA-N 2 1 285.391 2.385 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H](CO)C2)cc1 ZINC001138542296 815822859 /nfs/dbraw/zinc/82/28/59/815822859.db2.gz CIMVVZOTLBASGO-INIZCTEOSA-N 2 1 285.391 2.385 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c[nH]nc3C(C)(C)C)C[C@@H]2C1 ZINC001138576850 815833611 /nfs/dbraw/zinc/83/36/11/815833611.db2.gz FEVGPSXCOJYOCC-OCCSQVGLSA-N 2 1 276.428 2.091 20 0 CEADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)nn1C ZINC001138829006 815912112 /nfs/dbraw/zinc/91/21/12/815912112.db2.gz AZJPWQFYGYUTTA-UHFFFAOYSA-N 2 1 278.444 2.281 20 0 CEADMP CCCOc1ccccc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001138999187 815942592 /nfs/dbraw/zinc/94/25/92/815942592.db2.gz YEVRCBUFDLMIEN-IYBDPMFKSA-N 2 1 274.408 2.469 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@]1(C)O ZINC001139356178 816011253 /nfs/dbraw/zinc/01/12/53/816011253.db2.gz HNNDBGGLCXMGQM-PBHICJAKSA-N 2 1 285.391 2.465 20 0 CEADMP CC(C)(C)CC[NH2+]CCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001174776737 816080776 /nfs/dbraw/zinc/08/07/76/816080776.db2.gz FKCNIQCPHMALSF-KRWDZBQOSA-N 2 1 295.471 2.004 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC)C1 ZINC001174879975 816104985 /nfs/dbraw/zinc/10/49/85/816104985.db2.gz AUJQVBKOLPXZRI-JKSUJKDBSA-N 2 1 297.487 2.393 20 0 CEADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175255194 816163621 /nfs/dbraw/zinc/16/36/21/816163621.db2.gz DUESNVGMJQZYIZ-LSDHHAIUSA-N 2 1 283.460 2.144 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175265196 816165052 /nfs/dbraw/zinc/16/50/52/816165052.db2.gz XVDAVWPYYPBMMN-CABCVRRESA-N 2 1 283.460 2.003 20 0 CEADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CCC2CCCCC2)C1 ZINC001176049137 816341251 /nfs/dbraw/zinc/34/12/51/816341251.db2.gz IFGMGMBLAVXEAL-INIZCTEOSA-N 2 1 295.471 2.004 20 0 CEADMP CCN1CCC([N@@H+](C)Cc2ccc3ncn(C)c3c2)CC1 ZINC001140747261 816341482 /nfs/dbraw/zinc/34/14/82/816341482.db2.gz WLJGWJBPRKRFOY-UHFFFAOYSA-N 2 1 286.423 2.489 20 0 CEADMP CC[NH+]1CCC(N(C)Cc2ccc3ncn(C)c3c2)CC1 ZINC001140747261 816341490 /nfs/dbraw/zinc/34/14/90/816341490.db2.gz WLJGWJBPRKRFOY-UHFFFAOYSA-N 2 1 286.423 2.489 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3ncn(C)c3c2)CC1 ZINC001140747261 816341497 /nfs/dbraw/zinc/34/14/97/816341497.db2.gz WLJGWJBPRKRFOY-UHFFFAOYSA-N 2 1 286.423 2.489 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3ncn(C)c3c2)CC1 ZINC001140747261 816341503 /nfs/dbraw/zinc/34/15/03/816341503.db2.gz WLJGWJBPRKRFOY-UHFFFAOYSA-N 2 1 286.423 2.489 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001140801751 816363649 /nfs/dbraw/zinc/36/36/49/816363649.db2.gz ZGYPEMWMTMMYHI-ABAIWWIYSA-N 2 1 257.337 2.174 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001140801751 816363652 /nfs/dbraw/zinc/36/36/52/816363652.db2.gz ZGYPEMWMTMMYHI-ABAIWWIYSA-N 2 1 257.337 2.174 20 0 CEADMP CC(C)[N@@H+]1CCN(Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1C ZINC001140806762 816367112 /nfs/dbraw/zinc/36/71/12/816367112.db2.gz RISFNVUCRRLJMI-ZDUSSCGKSA-N 2 1 272.396 2.477 20 0 CEADMP CC(C)[N@H+]1CCN(Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1C ZINC001140806762 816367118 /nfs/dbraw/zinc/36/71/18/816367118.db2.gz RISFNVUCRRLJMI-ZDUSSCGKSA-N 2 1 272.396 2.477 20 0 CEADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2cnco2)C1 ZINC001140933309 816416402 /nfs/dbraw/zinc/41/64/02/816416402.db2.gz RFCLJBVPQOIZPB-GFCCVEGCSA-N 2 1 259.309 2.031 20 0 CEADMP CCC[N@@H+](C)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140969164 816426353 /nfs/dbraw/zinc/42/63/53/816426353.db2.gz XBEHXTMFLKRUGX-UHFFFAOYSA-N 2 1 261.413 2.280 20 0 CEADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001176753985 816473745 /nfs/dbraw/zinc/47/37/45/816473745.db2.gz OYNMJGLXLXXBML-HNNXBMFYSA-N 2 1 297.487 2.391 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CCCC1 ZINC001176986529 816503562 /nfs/dbraw/zinc/50/35/62/816503562.db2.gz QKUGRTBVXSJZLL-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CC(C)C[NH2+]CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001177021384 816508020 /nfs/dbraw/zinc/50/80/20/816508020.db2.gz UNMKSWQZRKEXPX-INIZCTEOSA-N 2 1 291.439 2.041 20 0 CEADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001206297039 816533436 /nfs/dbraw/zinc/53/34/36/816533436.db2.gz WQIJACBXTVUJIG-HNNXBMFYSA-N 3 1 267.461 2.169 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(C[NH3+])c2)CC1 ZINC001206327407 816740410 /nfs/dbraw/zinc/74/04/10/816740410.db2.gz WDVCBSLUHSOEOA-INIZCTEOSA-N 3 1 261.413 2.096 20 0 CEADMP CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178522680 816758280 /nfs/dbraw/zinc/75/82/80/816758280.db2.gz ODABXRSVDRUVHR-HUUCEWRRSA-N 2 1 283.460 2.003 20 0 CEADMP CC(C)[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178832445 816800281 /nfs/dbraw/zinc/80/02/81/816800281.db2.gz FWFSQQHWXGRHQY-HNNXBMFYSA-N 2 1 283.460 2.145 20 0 CEADMP CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178832358 816800754 /nfs/dbraw/zinc/80/07/54/816800754.db2.gz DTRUNYYJFDDXCY-OAHLLOKOSA-N 2 1 283.460 2.147 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001178920765 816815714 /nfs/dbraw/zinc/81/57/14/816815714.db2.gz IMYCQMKVPMWOJT-MRXNPFEDSA-N 2 1 297.487 2.393 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000449087501 282094995 /nfs/dbraw/zinc/09/49/95/282094995.db2.gz WAPXBQPFPRLYBG-SOUVJXGZSA-N 2 1 297.487 2.247 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449087672 282095180 /nfs/dbraw/zinc/09/51/80/282095180.db2.gz GEYWWUUKTBQVJM-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000449087672 282095184 /nfs/dbraw/zinc/09/51/84/282095184.db2.gz GEYWWUUKTBQVJM-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449089632 282095691 /nfs/dbraw/zinc/09/56/91/282095691.db2.gz DMEUGNDNLTWUMH-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000449126072 282110345 /nfs/dbraw/zinc/11/03/45/282110345.db2.gz UKLFWKJBYHNFHL-HUUCEWRRSA-N 2 1 297.487 2.391 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000449126073 282110369 /nfs/dbraw/zinc/11/03/69/282110369.db2.gz UKLFWKJBYHNFHL-LSDHHAIUSA-N 2 1 297.487 2.391 20 0 CEADMP Cc1noc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000121817171 365618613 /nfs/dbraw/zinc/61/86/13/365618613.db2.gz SPIOSKWQCUBXRY-UHFFFAOYSA-N 2 1 292.427 2.466 20 0 CEADMP COC(=O)CCC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000125172788 365668297 /nfs/dbraw/zinc/66/82/97/365668297.db2.gz KBQDBFVPGOBAMI-OAHLLOKOSA-N 2 1 282.428 2.136 20 0 CEADMP COc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000125102544 187170324 /nfs/dbraw/zinc/17/03/24/187170324.db2.gz FPYPZPHOOMXEMW-VBQJREDUSA-N 2 1 292.423 2.392 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cncc(OCC)c2)C1 ZINC000621330540 349563376 /nfs/dbraw/zinc/56/33/76/349563376.db2.gz RFFBYNBMWJBRPA-AWEZNQCLSA-N 2 1 277.412 2.302 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cncc(OCC)c2)C1 ZINC000621330540 349563379 /nfs/dbraw/zinc/56/33/79/349563379.db2.gz RFFBYNBMWJBRPA-AWEZNQCLSA-N 2 1 277.412 2.302 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000567681553 299074253 /nfs/dbraw/zinc/07/42/53/299074253.db2.gz VSTTWQZMXRVCOT-RYUDHWBXSA-N 2 1 282.350 2.010 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000567681553 299074256 /nfs/dbraw/zinc/07/42/56/299074256.db2.gz VSTTWQZMXRVCOT-RYUDHWBXSA-N 2 1 282.350 2.010 20 0 CEADMP C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)C1CC[NH2+]CC1 ZINC000036300308 361839977 /nfs/dbraw/zinc/83/99/77/361839977.db2.gz GASDJPGBNLKALG-UHFFFAOYSA-N 2 1 282.771 2.253 20 0 CEADMP C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)C1CC[NH2+]CC1 ZINC000036300308 361839986 /nfs/dbraw/zinc/83/99/86/361839986.db2.gz GASDJPGBNLKALG-UHFFFAOYSA-N 2 1 282.771 2.253 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000036908044 361870134 /nfs/dbraw/zinc/87/01/34/361870134.db2.gz RNJWHBAPBPZTOA-IPYPFGDCSA-N 2 1 290.407 2.276 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000036908044 361870135 /nfs/dbraw/zinc/87/01/35/361870135.db2.gz RNJWHBAPBPZTOA-IPYPFGDCSA-N 2 1 290.407 2.276 20 0 CEADMP CC(C)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000036908389 361870178 /nfs/dbraw/zinc/87/01/78/361870178.db2.gz BTUQBVPILYDVHT-TWMKSMIVSA-N 2 1 281.488 2.425 20 0 CEADMP CNC(=O)c1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000037860245 361956615 /nfs/dbraw/zinc/95/66/15/361956615.db2.gz VUWFWHMYBZSQPD-UHFFFAOYSA-N 2 1 289.423 2.012 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000040591962 361996112 /nfs/dbraw/zinc/99/61/12/361996112.db2.gz KFZYZGCGAWOIFT-HNNXBMFYSA-N 2 1 275.396 2.076 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1C ZINC000338016307 214363145 /nfs/dbraw/zinc/36/31/45/214363145.db2.gz KEZUEYCIJQIJFF-KRWDZBQOSA-N 2 1 287.407 2.429 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000621703671 349669026 /nfs/dbraw/zinc/66/90/26/349669026.db2.gz HZGSQZZJKXAMGB-CYBMUJFWSA-N 2 1 294.443 2.314 20 0 CEADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCCOC1 ZINC000123979340 539179867 /nfs/dbraw/zinc/17/98/67/539179867.db2.gz CJNILQAMVUNLCZ-CQSZACIVSA-N 2 1 274.408 2.191 20 0 CEADMP COc1ccc2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000090320548 539182024 /nfs/dbraw/zinc/18/20/24/539182024.db2.gz RYXFUCFPRKXWEM-CALCHBBNSA-N 2 1 282.387 2.500 20 0 CEADMP COc1cccc(CCC[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621781374 349701440 /nfs/dbraw/zinc/70/14/40/349701440.db2.gz CQDABAPZAJIDHU-RDJZCZTQSA-N 2 1 274.408 2.441 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000621784473 349701608 /nfs/dbraw/zinc/70/16/08/349701608.db2.gz PNFMFXWZJYZANB-DOTOQJQBSA-N 2 1 282.391 2.186 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000621784473 349701612 /nfs/dbraw/zinc/70/16/12/349701612.db2.gz PNFMFXWZJYZANB-DOTOQJQBSA-N 2 1 282.391 2.186 20 0 CEADMP COc1c(C)c[nH+]c(CN2C[C@H]3CCC[C@]3([NH3+])C2)c1C ZINC000621783217 349701773 /nfs/dbraw/zinc/70/17/73/349701773.db2.gz YUQNETYGIRLERH-CJNGLKHVSA-N 2 1 275.396 2.020 20 0 CEADMP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]CC[C@@H]1CCOC1 ZINC000668617340 539215318 /nfs/dbraw/zinc/21/53/18/539215318.db2.gz YIIGGCAFIJFQKU-HUUCEWRRSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000125995142 539227092 /nfs/dbraw/zinc/22/70/92/539227092.db2.gz LCZQIMXWIXWENW-JKSUJKDBSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C[C@@H](C)O ZINC000093143533 539234334 /nfs/dbraw/zinc/23/43/34/539234334.db2.gz DLMWNVJIENVYIV-OAHLLOKOSA-N 2 1 294.439 2.218 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000668678652 539235179 /nfs/dbraw/zinc/23/51/79/539235179.db2.gz NOMAHTSWCAWXML-CHWSQXEVSA-N 2 1 254.337 2.109 20 0 CEADMP C[C@@H](O)C1([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000668698053 539240221 /nfs/dbraw/zinc/24/02/21/539240221.db2.gz SGJNWOABGMQTIZ-CQSZACIVSA-N 2 1 274.408 2.154 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)(C)C)[NH2+]C)C[C@@H]1C ZINC000449365987 282202337 /nfs/dbraw/zinc/20/23/37/282202337.db2.gz QOALTJALZVAQMX-SOUVJXGZSA-N 2 1 297.487 2.342 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000080680526 539262466 /nfs/dbraw/zinc/26/24/66/539262466.db2.gz WTDDGYJYPQSAPL-OAHLLOKOSA-N 2 1 292.427 2.031 20 0 CEADMP Cc1cnccc1CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000567761809 299087841 /nfs/dbraw/zinc/08/78/41/299087841.db2.gz PIFPIGQVAWCUNP-INIZCTEOSA-N 2 1 273.424 2.350 20 0 CEADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668820672 539278358 /nfs/dbraw/zinc/27/83/58/539278358.db2.gz XHXDDZSSAGKJFR-VHDGCEQUSA-N 2 1 268.470 2.450 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000336603845 365706745 /nfs/dbraw/zinc/70/67/45/365706745.db2.gz ITRXYDLSTAPJCZ-ZDUSSCGKSA-N 2 1 252.402 2.184 20 0 CEADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000042341533 362084935 /nfs/dbraw/zinc/08/49/35/362084935.db2.gz NBTZACRQLKCNJK-LSDHHAIUSA-N 2 1 262.397 2.102 20 0 CEADMP CCC[NH+](CCC)CCCNc1cc(C)[nH+]c(C)n1 ZINC000436301504 539301694 /nfs/dbraw/zinc/30/16/94/539301694.db2.gz ZJUNVUMIBXXTIV-UHFFFAOYSA-N 2 1 264.417 2.439 20 0 CEADMP CC[C@@](C)(C[NH2+]Cc1c[nH+]ccc1N(C)C)OC ZINC000449479161 282253152 /nfs/dbraw/zinc/25/31/52/282253152.db2.gz USHZPSJOULVSGK-AWEZNQCLSA-N 2 1 251.374 2.052 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCOCC1 ZINC000675880603 539306498 /nfs/dbraw/zinc/30/64/98/539306498.db2.gz GGZYQDUCMUZXCQ-YOEHRIQHSA-N 2 1 296.455 2.035 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000449508056 282263371 /nfs/dbraw/zinc/26/33/71/282263371.db2.gz MSVBSAKFHPTBRN-NVXWUHKLSA-N 2 1 289.423 2.034 20 0 CEADMP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](CO)C(C)C ZINC000449511572 282265640 /nfs/dbraw/zinc/26/56/40/282265640.db2.gz NWKXKYXAUQWAJR-VVLHAWIVSA-N 2 1 282.472 2.492 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044530140 343474226 /nfs/dbraw/zinc/47/42/26/343474226.db2.gz CCLWMUURKHMAOY-OAHLLOKOSA-N 2 1 283.460 2.086 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044530140 343474228 /nfs/dbraw/zinc/47/42/28/343474228.db2.gz CCLWMUURKHMAOY-OAHLLOKOSA-N 2 1 283.460 2.086 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000622181982 349810485 /nfs/dbraw/zinc/81/04/85/349810485.db2.gz PJZBDRFQRFZSSX-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000622181982 349810487 /nfs/dbraw/zinc/81/04/87/349810487.db2.gz PJZBDRFQRFZSSX-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000622181982 349810492 /nfs/dbraw/zinc/81/04/92/349810492.db2.gz PJZBDRFQRFZSSX-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3cnccn3)CC2)[nH+]1 ZINC000128142119 365777142 /nfs/dbraw/zinc/77/71/42/365777142.db2.gz VMAHJMUWDFWTCS-CQSZACIVSA-N 2 1 297.406 2.500 20 0 CEADMP C[NH+](C)CCC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000056522905 343617940 /nfs/dbraw/zinc/61/79/40/343617940.db2.gz PDHDKNGOCVDKLE-UHFFFAOYSA-N 2 1 278.400 2.111 20 0 CEADMP CC[C@@H]1C[N@H+](CCCn2cc[nH+]c2C)CCS1 ZINC000336720122 365784066 /nfs/dbraw/zinc/78/40/66/365784066.db2.gz YCBXRZXEDXHMBC-CYBMUJFWSA-N 2 1 253.415 2.409 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)CCS1 ZINC000336720122 365784072 /nfs/dbraw/zinc/78/40/72/365784072.db2.gz YCBXRZXEDXHMBC-CYBMUJFWSA-N 2 1 253.415 2.409 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000126868537 187267015 /nfs/dbraw/zinc/26/70/15/187267015.db2.gz CDCSQYKDBMZGGO-IUODEOHRSA-N 2 1 255.365 2.404 20 0 CEADMP COc1ccccc1OCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000128388823 365787260 /nfs/dbraw/zinc/78/72/60/365787260.db2.gz PJEJHZHYFVAYTM-KBPBESRZSA-N 2 1 278.396 2.004 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000336728694 365789541 /nfs/dbraw/zinc/78/95/41/365789541.db2.gz NLGHCHLIEBQNRD-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000305772075 290069427 /nfs/dbraw/zinc/06/94/27/290069427.db2.gz SLZRJQIIRFIWKA-YIYPIFLZSA-N 2 1 256.434 2.102 20 0 CEADMP COc1ccc(OCCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351478949 219100367 /nfs/dbraw/zinc/10/03/67/219100367.db2.gz QCOGEYFCWYGRTR-IAOVAPTHSA-N 2 1 290.407 2.133 20 0 CEADMP CCC[C@@H](C)[C@H](CC)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128112403 187352323 /nfs/dbraw/zinc/35/23/23/187352323.db2.gz ULEAVDPORSYUTP-PMPSAXMXSA-N 2 1 297.487 2.378 20 0 CEADMP CCCc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000622854958 349895154 /nfs/dbraw/zinc/89/51/54/349895154.db2.gz PVFKVCPMWQFRNW-KRWDZBQOSA-N 2 1 276.424 2.185 20 0 CEADMP CC(C)C[N@H+]1CCCN(CC[NH+]2CCCCC2)CC1 ZINC000077362992 343917937 /nfs/dbraw/zinc/91/79/37/343917937.db2.gz WVLSONRKRWUNFJ-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP Cc1cc[nH+]c(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000089603476 344126143 /nfs/dbraw/zinc/12/61/43/344126143.db2.gz ODMRCUXBXBXGRX-CQSZACIVSA-N 2 1 261.369 2.055 20 0 CEADMP Cc1cnccc1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000090847344 344144172 /nfs/dbraw/zinc/14/41/72/344144172.db2.gz WUPKLEQBQXTZNP-SQWLQELKSA-N 2 1 261.413 2.251 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000093406050 344223429 /nfs/dbraw/zinc/22/34/29/344223429.db2.gz MZXGJSMJDRNXCB-HIFRSBDPSA-N 2 1 282.453 2.492 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000093770610 344228570 /nfs/dbraw/zinc/22/85/70/344228570.db2.gz AOGPAJDISYSOPP-MRXNPFEDSA-N 2 1 299.422 2.041 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000093770610 344228572 /nfs/dbraw/zinc/22/85/72/344228572.db2.gz AOGPAJDISYSOPP-MRXNPFEDSA-N 2 1 299.422 2.041 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000093770610 344228574 /nfs/dbraw/zinc/22/85/74/344228574.db2.gz AOGPAJDISYSOPP-MRXNPFEDSA-N 2 1 299.422 2.041 20 0 CEADMP Cc1cccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1C ZINC000105477075 344256811 /nfs/dbraw/zinc/25/68/11/344256811.db2.gz XQABUXSKJDZBDI-UHFFFAOYSA-N 2 1 289.467 2.421 20 0 CEADMP FC(F)(F)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107576316 344261027 /nfs/dbraw/zinc/26/10/27/344261027.db2.gz ACGKOYBVRVXQOU-RYUDHWBXSA-N 2 1 270.298 2.357 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000126907485 344327124 /nfs/dbraw/zinc/32/71/24/344327124.db2.gz RLBKVUAWJGBIQB-CHWSQXEVSA-N 2 1 255.365 2.404 20 0 CEADMP COC(=O)c1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)[nH]c1C ZINC000602474996 347048938 /nfs/dbraw/zinc/04/89/38/347048938.db2.gz KJLBUIALCKVWGX-BXUZGUMPSA-N 2 1 293.411 2.024 20 0 CEADMP C[C@H](NCCF)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000167705067 344478861 /nfs/dbraw/zinc/47/88/61/344478861.db2.gz VIHKJXSQFMOHSZ-ZFWWWQNUSA-N 2 1 250.361 2.456 20 0 CEADMP C[C@H]([NH2+]CCF)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000167705067 344478863 /nfs/dbraw/zinc/47/88/63/344478863.db2.gz VIHKJXSQFMOHSZ-ZFWWWQNUSA-N 2 1 250.361 2.456 20 0 CEADMP C[C@H]([NH2+]CCF)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000167705067 344478867 /nfs/dbraw/zinc/47/88/67/344478867.db2.gz VIHKJXSQFMOHSZ-ZFWWWQNUSA-N 2 1 250.361 2.456 20 0 CEADMP CO[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC[C@@H]1C ZINC000230309358 344572040 /nfs/dbraw/zinc/57/20/40/344572040.db2.gz VYPSUJJVJQAVHL-GUYCJALGSA-N 2 1 274.408 2.189 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C(=O)OC)cs2)C1 ZINC000602524651 347066147 /nfs/dbraw/zinc/06/61/47/347066147.db2.gz OIKGQDNZVFJUBO-GFCCVEGCSA-N 2 1 296.436 2.356 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C(=O)OC)cs2)C1 ZINC000602524651 347066150 /nfs/dbraw/zinc/06/61/50/347066150.db2.gz OIKGQDNZVFJUBO-GFCCVEGCSA-N 2 1 296.436 2.356 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000412003248 530063102 /nfs/dbraw/zinc/06/31/02/530063102.db2.gz PGQSSYFYEQIRCJ-NFSPANSCSA-N 2 1 292.467 2.248 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000449778275 282364452 /nfs/dbraw/zinc/36/44/52/282364452.db2.gz BGHOUZRHGCQNQF-GJZGRUSLSA-N 2 1 265.445 2.077 20 0 CEADMP CC1(C)CCC[NH+]1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449778275 282364457 /nfs/dbraw/zinc/36/44/57/282364457.db2.gz BGHOUZRHGCQNQF-GJZGRUSLSA-N 2 1 265.445 2.077 20 0 CEADMP CC1(C)CCC[NH+]1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449778275 282364461 /nfs/dbraw/zinc/36/44/61/282364461.db2.gz BGHOUZRHGCQNQF-GJZGRUSLSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@]1(O)CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668092496 539412300 /nfs/dbraw/zinc/41/23/00/539412300.db2.gz JCPWLNNEPNHRPN-INIZCTEOSA-N 2 1 286.379 2.004 20 0 CEADMP C[C@]1(O)CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668092496 539412303 /nfs/dbraw/zinc/41/23/03/539412303.db2.gz JCPWLNNEPNHRPN-INIZCTEOSA-N 2 1 286.379 2.004 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccccc1OC(F)F ZINC000401792269 344869979 /nfs/dbraw/zinc/86/99/79/344869979.db2.gz CPDOQMFTVLMOPR-UHFFFAOYSA-N 2 1 281.306 2.354 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])o1 ZINC000404438425 344880062 /nfs/dbraw/zinc/88/00/62/344880062.db2.gz SMLXGDSXVMTFFA-DGCLKSJQSA-N 2 1 280.368 2.016 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])o1 ZINC000404438425 344880065 /nfs/dbraw/zinc/88/00/65/344880065.db2.gz SMLXGDSXVMTFFA-DGCLKSJQSA-N 2 1 280.368 2.016 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000584687708 344976467 /nfs/dbraw/zinc/97/64/67/344976467.db2.gz JXCWVMPIEXKAEJ-CYBMUJFWSA-N 2 1 272.396 2.383 20 0 CEADMP CC[C@H](O)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000127371432 187300919 /nfs/dbraw/zinc/30/09/19/187300919.db2.gz XYUAXUIMVUEMKM-KRWDZBQOSA-N 2 1 276.424 2.402 20 0 CEADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000591272419 345236423 /nfs/dbraw/zinc/23/64/23/345236423.db2.gz JUDJBNOUEPPEEV-HRCADAONSA-N 2 1 296.455 2.430 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000623050773 349926584 /nfs/dbraw/zinc/92/65/84/349926584.db2.gz BTCQLABBEDFZPT-UHFFFAOYSA-N 2 1 293.374 2.209 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)[NH3+])c2ccccc21 ZINC000591580653 345266700 /nfs/dbraw/zinc/26/67/00/345266700.db2.gz HTSNFOTYDYTICX-GLQYFDAESA-N 2 1 276.380 2.105 20 0 CEADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CCC[NH+](C)C)CCC2 ZINC000594492640 345637347 /nfs/dbraw/zinc/63/73/47/345637347.db2.gz VZIBDKMIMRVGQE-MRXNPFEDSA-N 2 1 290.407 2.392 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)C(C)(C)C)C1 ZINC000336786572 365805522 /nfs/dbraw/zinc/80/55/22/365805522.db2.gz IQAUAQKJQJAUCW-KBPBESRZSA-N 2 1 256.434 2.057 20 0 CEADMP COC(=O)c1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)o1 ZINC000594605557 345658912 /nfs/dbraw/zinc/65/89/12/345658912.db2.gz ASRLKSNKIYOSMZ-CYBMUJFWSA-N 2 1 294.395 2.196 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)c2C1 ZINC000262650642 535000699 /nfs/dbraw/zinc/00/06/99/535000699.db2.gz QQSRJDVAFGNRHY-OCCSQVGLSA-N 2 1 287.407 2.478 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)c2C1 ZINC000262650642 535000706 /nfs/dbraw/zinc/00/07/06/535000706.db2.gz QQSRJDVAFGNRHY-OCCSQVGLSA-N 2 1 287.407 2.478 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000623085869 349933749 /nfs/dbraw/zinc/93/37/49/349933749.db2.gz KFESDFWFFCDTMH-UHFFFAOYSA-N 2 1 295.289 2.074 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000594736063 345682158 /nfs/dbraw/zinc/68/21/58/345682158.db2.gz OOBIDGNHHMHXOR-HNNXBMFYSA-N 2 1 296.455 2.287 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000594921689 345702439 /nfs/dbraw/zinc/70/24/39/345702439.db2.gz RAOFBMXAGXYEJR-FPCVCCKLSA-N 2 1 296.455 2.428 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000594921689 345702440 /nfs/dbraw/zinc/70/24/40/345702440.db2.gz RAOFBMXAGXYEJR-FPCVCCKLSA-N 2 1 296.455 2.428 20 0 CEADMP CCC[C@@H]([NH3+])c1cn(Cc2[nH+]cc(C)c(OC)c2C)nn1 ZINC000229965191 539496995 /nfs/dbraw/zinc/49/69/95/539496995.db2.gz GRADVGHOMTWHNF-GFCCVEGCSA-N 2 1 289.383 2.147 20 0 CEADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000595886299 345905892 /nfs/dbraw/zinc/90/58/92/345905892.db2.gz UESKTCWWRJWVQJ-HZSPNIEDSA-N 2 1 284.469 2.113 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000595887116 345906154 /nfs/dbraw/zinc/90/61/54/345906154.db2.gz ATDFCZUNOHIBIU-YNEHKIRRSA-N 2 1 294.420 2.094 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000595887116 345906157 /nfs/dbraw/zinc/90/61/57/345906157.db2.gz ATDFCZUNOHIBIU-YNEHKIRRSA-N 2 1 294.420 2.094 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900577 345910378 /nfs/dbraw/zinc/91/03/78/345910378.db2.gz HFJHEQAXJPNMHY-OAHLLOKOSA-N 2 1 282.428 2.040 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000597242767 346159750 /nfs/dbraw/zinc/15/97/50/346159750.db2.gz WLSXNFPDNFHTOA-HOCLYGCPSA-N 2 1 282.428 2.182 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1(C)C ZINC000085398041 179050570 /nfs/dbraw/zinc/05/05/70/179050570.db2.gz ZVTDNDFXTFWFCM-BFHYXJOUSA-N 2 1 254.418 2.121 20 0 CEADMP CCc1nocc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000339210962 215017053 /nfs/dbraw/zinc/01/70/53/215017053.db2.gz VELCFWATQZDHAQ-OKILXGFUSA-N 2 1 295.427 2.216 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CCC(CC(=O)OC)CC2)CC1 ZINC000599022587 346447786 /nfs/dbraw/zinc/44/77/86/346447786.db2.gz RRBMJNGSICDDHP-UHFFFAOYSA-N 2 1 282.428 2.182 20 0 CEADMP CC(C)COCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336790535 365811514 /nfs/dbraw/zinc/81/15/14/365811514.db2.gz LOFIVKGZFUCNLP-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)CC1(C)C ZINC000599044207 346451250 /nfs/dbraw/zinc/45/12/50/346451250.db2.gz LDVWJUTXQUZXEC-OLZOCXBDSA-N 2 1 256.434 2.246 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000063165898 362753555 /nfs/dbraw/zinc/75/35/55/362753555.db2.gz APHRRKZTMOFZGT-UHFFFAOYSA-N 2 1 292.408 2.230 20 0 CEADMP COC1(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCC1 ZINC000336795329 365818270 /nfs/dbraw/zinc/81/82/70/365818270.db2.gz JSOXADZLOIEPDT-BFHYXJOUSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000085674281 179111931 /nfs/dbraw/zinc/11/19/31/179111931.db2.gz BHJDVDNRWWZANH-BARDWOONSA-N 2 1 266.429 2.121 20 0 CEADMP COCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000336796790 365821388 /nfs/dbraw/zinc/82/13/88/365821388.db2.gz VWSULBNZDWQRPZ-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP COC(=O)[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H]2CCC[C@H]21 ZINC000599654080 346555773 /nfs/dbraw/zinc/55/57/73/346555773.db2.gz LKJBZMXWVUWKQO-JONQDZQNSA-N 2 1 294.439 2.134 20 0 CEADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H]2CCC[C@H]21 ZINC000599654080 346555776 /nfs/dbraw/zinc/55/57/76/346555776.db2.gz LKJBZMXWVUWKQO-JONQDZQNSA-N 2 1 294.439 2.134 20 0 CEADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H]2CCC[C@H]21 ZINC000599654080 346555778 /nfs/dbraw/zinc/55/57/78/346555778.db2.gz LKJBZMXWVUWKQO-JONQDZQNSA-N 2 1 294.439 2.134 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@H]1SC ZINC000600191586 346619837 /nfs/dbraw/zinc/61/98/37/346619837.db2.gz RAYWOYJIJYTPGT-LXTVHRRPSA-N 2 1 286.485 2.217 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336800315 365829425 /nfs/dbraw/zinc/82/94/25/365829425.db2.gz LSELKWZXLFSLDV-HUUCEWRRSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336800315 365829426 /nfs/dbraw/zinc/82/94/26/365829426.db2.gz LSELKWZXLFSLDV-HUUCEWRRSA-N 2 1 263.385 2.083 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)O1 ZINC000336805558 365841533 /nfs/dbraw/zinc/84/15/33/365841533.db2.gz DPAFKFDCVAGHBX-FVQBIDKESA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)O1 ZINC000336805558 365841538 /nfs/dbraw/zinc/84/15/38/365841538.db2.gz DPAFKFDCVAGHBX-FVQBIDKESA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)O1 ZINC000336805558 365841541 /nfs/dbraw/zinc/84/15/41/365841541.db2.gz DPAFKFDCVAGHBX-FVQBIDKESA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCOCC3)CC[N@@H+]1C ZINC000336807445 365843311 /nfs/dbraw/zinc/84/33/11/365843311.db2.gz KAEVAFVUTTZPKX-RBSFLKMASA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCOCC3)CC[N@H+]1C ZINC000336807445 365843314 /nfs/dbraw/zinc/84/33/14/365843314.db2.gz KAEVAFVUTTZPKX-RBSFLKMASA-N 2 1 266.429 2.408 20 0 CEADMP CCSCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600729698 346679531 /nfs/dbraw/zinc/67/95/31/346679531.db2.gz ZXRQJOBBRDGVAP-NXEZZACHSA-N 2 1 270.364 2.199 20 0 CEADMP CSCc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000600739370 346682165 /nfs/dbraw/zinc/68/21/65/346682165.db2.gz BUYBDMHWIFQWIK-MRXNPFEDSA-N 2 1 294.464 2.096 20 0 CEADMP C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)CC1CCOCC1 ZINC000336819077 365864344 /nfs/dbraw/zinc/86/43/44/365864344.db2.gz YDMQGTMMEKZFTO-CVEARBPZSA-N 2 1 266.429 2.267 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+]CCCCn2cc[nH+]c2C)C1 ZINC000601266098 346806236 /nfs/dbraw/zinc/80/62/36/346806236.db2.gz IOBZFRNIKSKAOY-UHFFFAOYSA-N 2 1 293.411 2.293 20 0 CEADMP COC(=O)c1[nH]c(C[NH2+]CCC[N@H+](C)CC(C)C)cc1C ZINC000602698440 347154465 /nfs/dbraw/zinc/15/44/65/347154465.db2.gz ISBBECXYIDDICV-UHFFFAOYSA-N 2 1 295.427 2.177 20 0 CEADMP COC(=O)c1[nH]c(C[NH2+]CCC[N@@H+](C)CC(C)C)cc1C ZINC000602698440 347154467 /nfs/dbraw/zinc/15/44/67/347154467.db2.gz ISBBECXYIDDICV-UHFFFAOYSA-N 2 1 295.427 2.177 20 0 CEADMP COC(=O)c1csc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000602658461 347127685 /nfs/dbraw/zinc/12/76/85/347127685.db2.gz YGUHWDYGEPUQGS-GFCCVEGCSA-N 2 1 296.436 2.355 20 0 CEADMP COC(=O)c1csc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000602658461 347127687 /nfs/dbraw/zinc/12/76/87/347127687.db2.gz YGUHWDYGEPUQGS-GFCCVEGCSA-N 2 1 296.436 2.355 20 0 CEADMP Cc1ncccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603516837 347377407 /nfs/dbraw/zinc/37/74/07/347377407.db2.gz DTSQPYQXXYUIIH-KRWDZBQOSA-N 2 1 289.423 2.123 20 0 CEADMP c1csc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000603516938 347377542 /nfs/dbraw/zinc/37/75/42/347377542.db2.gz GFGVPMOLOJIUJV-CQSZACIVSA-N 2 1 280.437 2.481 20 0 CEADMP COCCCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000605150529 347443385 /nfs/dbraw/zinc/44/33/85/347443385.db2.gz KKBICJCQGSKLAG-UHFFFAOYSA-N 2 1 256.434 2.465 20 0 CEADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000606351989 347466284 /nfs/dbraw/zinc/46/62/84/347466284.db2.gz FVNXIWKNQWJABW-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cnn(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000336829678 365893402 /nfs/dbraw/zinc/89/34/02/365893402.db2.gz IOJNMHUWCBJVPU-INIZCTEOSA-N 2 1 276.428 2.142 20 0 CEADMP Cc1cnn(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000336829678 365893409 /nfs/dbraw/zinc/89/34/09/365893409.db2.gz IOJNMHUWCBJVPU-INIZCTEOSA-N 2 1 276.428 2.142 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)CC(C)(C)C1 ZINC000608056223 347558335 /nfs/dbraw/zinc/55/83/35/347558335.db2.gz GVQUXWSTXXSLIS-ZFWWWQNUSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCc2cccc(F)c2)CC[N@H+]1C ZINC000129824483 365898926 /nfs/dbraw/zinc/89/89/26/365898926.db2.gz WFYZTDXIEZGIQJ-IUODEOHRSA-N 2 1 250.361 2.441 20 0 CEADMP CN(C)c1cccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000608497238 347596317 /nfs/dbraw/zinc/59/63/17/347596317.db2.gz NVVJEHKEYDNTMM-OAHLLOKOSA-N 2 1 261.413 2.136 20 0 CEADMP Cn1cc(CCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000608499804 347597685 /nfs/dbraw/zinc/59/76/85/347597685.db2.gz CMXKSMVHNGIIFQ-KRWDZBQOSA-N 2 1 290.455 2.161 20 0 CEADMP COC1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000129913397 365906256 /nfs/dbraw/zinc/90/62/56/365906256.db2.gz IBIJHIRTKAQVJN-NEXFUWMNSA-N 2 1 252.402 2.160 20 0 CEADMP COC1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000129913397 365906261 /nfs/dbraw/zinc/90/62/61/365906261.db2.gz IBIJHIRTKAQVJN-NEXFUWMNSA-N 2 1 252.402 2.160 20 0 CEADMP Cc1noc(CCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000336834828 365901160 /nfs/dbraw/zinc/90/11/60/365901160.db2.gz HOWPFHIBVXMKQK-OAHLLOKOSA-N 2 1 292.427 2.261 20 0 CEADMP Cc1noc(CCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000336834828 365901168 /nfs/dbraw/zinc/90/11/68/365901168.db2.gz HOWPFHIBVXMKQK-OAHLLOKOSA-N 2 1 292.427 2.261 20 0 CEADMP C/C(Cl)=C\C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000528389027 313249385 /nfs/dbraw/zinc/24/93/85/313249385.db2.gz KOKLRHUCOCIDKM-XUYKZZHDSA-N 2 1 285.863 2.229 20 0 CEADMP Cc1nccn1CCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336840795 365913218 /nfs/dbraw/zinc/91/32/18/365913218.db2.gz NBYRJCALKGETQA-QGZVFWFLSA-N 2 1 290.455 2.245 20 0 CEADMP Cc1nccn1CCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336840795 365913226 /nfs/dbraw/zinc/91/32/26/365913226.db2.gz NBYRJCALKGETQA-QGZVFWFLSA-N 2 1 290.455 2.245 20 0 CEADMP Cc1nccn1CCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336840795 365913234 /nfs/dbraw/zinc/91/32/34/365913234.db2.gz NBYRJCALKGETQA-QGZVFWFLSA-N 2 1 290.455 2.245 20 0 CEADMP C[N@H+](CCCC[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000459582703 290185643 /nfs/dbraw/zinc/18/56/43/290185643.db2.gz FPZRRMSUYOLUBJ-UHFFFAOYSA-N 3 1 265.445 2.077 20 0 CEADMP C[N@@H+](CCCC[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000459582703 290185648 /nfs/dbraw/zinc/18/56/48/290185648.db2.gz FPZRRMSUYOLUBJ-UHFFFAOYSA-N 3 1 265.445 2.077 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334199503 539587442 /nfs/dbraw/zinc/58/74/42/539587442.db2.gz MLJNYYFZFJMYKR-OAHLLOKOSA-N 2 1 263.385 2.121 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334199503 539587447 /nfs/dbraw/zinc/58/74/47/539587447.db2.gz MLJNYYFZFJMYKR-OAHLLOKOSA-N 2 1 263.385 2.121 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334199502 539587569 /nfs/dbraw/zinc/58/75/69/539587569.db2.gz MLJNYYFZFJMYKR-HNNXBMFYSA-N 2 1 263.385 2.121 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334199502 539587571 /nfs/dbraw/zinc/58/75/71/539587571.db2.gz MLJNYYFZFJMYKR-HNNXBMFYSA-N 2 1 263.385 2.121 20 0 CEADMP CCC[C@H](C(=O)OCC)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130322677 365944689 /nfs/dbraw/zinc/94/46/89/365944689.db2.gz LZUPQVQUWKOXNK-CQSZACIVSA-N 2 1 281.400 2.245 20 0 CEADMP CCC[C@H](C(=O)OCC)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130322677 365944693 /nfs/dbraw/zinc/94/46/93/365944693.db2.gz LZUPQVQUWKOXNK-CQSZACIVSA-N 2 1 281.400 2.245 20 0 CEADMP C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000614255632 348169357 /nfs/dbraw/zinc/16/93/57/348169357.db2.gz SOQAKXNRIVRAPE-MRXNPFEDSA-N 2 1 296.374 2.280 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000614255632 348169360 /nfs/dbraw/zinc/16/93/60/348169360.db2.gz SOQAKXNRIVRAPE-MRXNPFEDSA-N 2 1 296.374 2.280 20 0 CEADMP Cc1ccc(CCC[N@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000339407922 215151693 /nfs/dbraw/zinc/15/16/93/215151693.db2.gz QPJJSUMJXUMYFH-MRXNPFEDSA-N 2 1 261.413 2.397 20 0 CEADMP COc1c(C)c[nH+]c(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1C ZINC000351960701 219266436 /nfs/dbraw/zinc/26/64/36/219266436.db2.gz VWRSORSXQATDTJ-OLZOCXBDSA-N 2 1 277.412 2.231 20 0 CEADMP COc1c(C)c[nH+]c(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1C ZINC000351960701 219266439 /nfs/dbraw/zinc/26/64/39/219266439.db2.gz VWRSORSXQATDTJ-OLZOCXBDSA-N 2 1 277.412 2.231 20 0 CEADMP CC[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)[NH+](CC)CC ZINC000615616494 348361467 /nfs/dbraw/zinc/36/14/67/348361467.db2.gz JXDSAYHLUCLATK-WBVHZDCISA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOCC(F)(F)F)[C@H]2CCC[C@H]21 ZINC000353424210 290218807 /nfs/dbraw/zinc/21/88/07/290218807.db2.gz SHMFNOAEJCQRQD-GRYCIOLGSA-N 2 1 280.334 2.028 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCOC[C@H]2CCCO2)CC1(C)C ZINC000623343900 349993333 /nfs/dbraw/zinc/99/33/33/349993333.db2.gz OEVSKPALRLXWHC-HUUCEWRRSA-N 2 1 284.444 2.035 20 0 CEADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623348846 349995230 /nfs/dbraw/zinc/99/52/30/349995230.db2.gz NBYLPUDQQYSKNG-CQSZACIVSA-N 2 1 278.444 2.042 20 0 CEADMP CC[NH+](CC)[C@H](C)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623351560 349996127 /nfs/dbraw/zinc/99/61/27/349996127.db2.gz VQBPHDQZFDZYCD-KGLIPLIRSA-N 2 1 255.450 2.179 20 0 CEADMP CC1CC[NH+](CCN[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623357295 349997393 /nfs/dbraw/zinc/99/73/93/349997393.db2.gz HWKVKKVIYHFESA-OAHLLOKOSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000616994038 348601964 /nfs/dbraw/zinc/60/19/64/348601964.db2.gz TWIDPQZYOLYVMO-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616994038 348601968 /nfs/dbraw/zinc/60/19/68/348601968.db2.gz TWIDPQZYOLYVMO-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616994038 348601971 /nfs/dbraw/zinc/60/19/71/348601971.db2.gz TWIDPQZYOLYVMO-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623363335 350000159 /nfs/dbraw/zinc/00/01/59/350000159.db2.gz ODTAYXAGKOIIIV-UHFFFAOYSA-N 2 1 269.352 2.248 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(C)(C)C1 ZINC000617506751 348718066 /nfs/dbraw/zinc/71/80/66/348718066.db2.gz YFCSRKYEYLWEPE-GJZGRUSLSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(C)(C)C1 ZINC000617506751 348718069 /nfs/dbraw/zinc/71/80/69/348718069.db2.gz YFCSRKYEYLWEPE-GJZGRUSLSA-N 2 1 297.487 2.201 20 0 CEADMP CCOC1CC(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)C1 ZINC000352002876 219283470 /nfs/dbraw/zinc/28/34/70/219283470.db2.gz IYQQNFMGCVQADB-FHERZECASA-N 2 1 268.445 2.465 20 0 CEADMP CCOC1CC(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000352001299 219283514 /nfs/dbraw/zinc/28/35/14/219283514.db2.gz AROIHXAWVVLRKK-NFOMZHRRSA-N 2 1 254.418 2.075 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000352001299 219283515 /nfs/dbraw/zinc/28/35/15/219283515.db2.gz AROIHXAWVVLRKK-NFOMZHRRSA-N 2 1 254.418 2.075 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000352001299 219283518 /nfs/dbraw/zinc/28/35/18/219283518.db2.gz AROIHXAWVVLRKK-NFOMZHRRSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000339261605 539678951 /nfs/dbraw/zinc/67/89/51/539678951.db2.gz JVIJUQYYLNDTCV-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000339261605 539678953 /nfs/dbraw/zinc/67/89/53/539678953.db2.gz JVIJUQYYLNDTCV-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000339261605 539678957 /nfs/dbraw/zinc/67/89/57/539678957.db2.gz JVIJUQYYLNDTCV-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000400498781 233178962 /nfs/dbraw/zinc/17/89/62/233178962.db2.gz GKUVVCKRNCUMSF-BURFUSLBSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCc2cncs2)CC[N@@H+]1C ZINC000411320021 233237318 /nfs/dbraw/zinc/23/73/18/233237318.db2.gz BJGDEQVBWSTWGF-RYUDHWBXSA-N 2 1 253.415 2.100 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCc2cncs2)CC[N@H+]1C ZINC000411320021 233237320 /nfs/dbraw/zinc/23/73/20/233237320.db2.gz BJGDEQVBWSTWGF-RYUDHWBXSA-N 2 1 253.415 2.100 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCc2cncs2)CC[NH+]1C ZINC000411320021 233237324 /nfs/dbraw/zinc/23/73/24/233237324.db2.gz BJGDEQVBWSTWGF-RYUDHWBXSA-N 2 1 253.415 2.100 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCc2cncs2)CC[NH+]1C ZINC000411320021 233237328 /nfs/dbraw/zinc/23/73/28/233237328.db2.gz BJGDEQVBWSTWGF-RYUDHWBXSA-N 2 1 253.415 2.100 20 0 CEADMP Cc1noc(C)c1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623376442 350003919 /nfs/dbraw/zinc/00/39/19/350003919.db2.gz UKNTYQISNJNCEF-LBPRGKRZSA-N 2 1 251.374 2.254 20 0 CEADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623381663 350005233 /nfs/dbraw/zinc/00/52/33/350005233.db2.gz ADRIFPPEBGQENX-GHMZBOCLSA-N 2 1 282.350 2.416 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000623386785 350005980 /nfs/dbraw/zinc/00/59/80/350005980.db2.gz CWOIOGOPDTULBX-UHFFFAOYSA-N 2 1 294.349 2.326 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CC1(C)C ZINC000623402505 350010019 /nfs/dbraw/zinc/01/00/19/350010019.db2.gz NIMNSEYUTOZIOT-HNNXBMFYSA-N 2 1 299.422 2.230 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623402402 350010152 /nfs/dbraw/zinc/01/01/52/350010152.db2.gz JCXKJWRVIBGTLX-WCQYABFASA-N 2 1 264.417 2.252 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623402402 350010155 /nfs/dbraw/zinc/01/01/55/350010155.db2.gz JCXKJWRVIBGTLX-WCQYABFASA-N 2 1 264.417 2.252 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623412889 350012693 /nfs/dbraw/zinc/01/26/93/350012693.db2.gz BKAZGSBBHLDUMW-CABCVRRESA-N 2 1 267.461 2.323 20 0 CEADMP CC[NH+]1CCCC[C@H]1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623412889 350012695 /nfs/dbraw/zinc/01/26/95/350012695.db2.gz BKAZGSBBHLDUMW-CABCVRRESA-N 2 1 267.461 2.323 20 0 CEADMP CC[NH+]1CCCC[C@H]1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623412889 350012697 /nfs/dbraw/zinc/01/26/97/350012697.db2.gz BKAZGSBBHLDUMW-CABCVRRESA-N 2 1 267.461 2.323 20 0 CEADMP CC1(C)Cc2cccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)c2O1 ZINC000090320214 179957401 /nfs/dbraw/zinc/95/74/01/179957401.db2.gz VKRSPOBYUOZDFA-GJZGRUSLSA-N 2 1 272.392 2.051 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623528563 350041819 /nfs/dbraw/zinc/04/18/19/350041819.db2.gz TXFDYTBFMBUUJK-ZIAGYGMSSA-N 2 1 255.450 2.178 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623528563 350041825 /nfs/dbraw/zinc/04/18/25/350041825.db2.gz TXFDYTBFMBUUJK-ZIAGYGMSSA-N 2 1 255.450 2.178 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623528563 350041829 /nfs/dbraw/zinc/04/18/29/350041829.db2.gz TXFDYTBFMBUUJK-ZIAGYGMSSA-N 2 1 255.450 2.178 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)CC1(C)C ZINC000623539140 350045018 /nfs/dbraw/zinc/04/50/18/350045018.db2.gz BREPGGQMJMBJTD-JYJNAYRXSA-N 2 1 280.456 2.246 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623546743 350046678 /nfs/dbraw/zinc/04/66/78/350046678.db2.gz PYXNJARLPKZLMG-MCIONIFRSA-N 2 1 254.418 2.405 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)nc1 ZINC000623544883 350046840 /nfs/dbraw/zinc/04/68/40/350046840.db2.gz PLFHCHOQQNZZBR-OAHLLOKOSA-N 2 1 261.413 2.395 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C12CCC2 ZINC000623546925 350048187 /nfs/dbraw/zinc/04/81/87/350048187.db2.gz ADNLKGBNYUZLTH-MELADBBJSA-N 2 1 266.429 2.406 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623552780 350048967 /nfs/dbraw/zinc/04/89/67/350048967.db2.gz WDZRFZGRLGQURT-BFHYXJOUSA-N 2 1 254.418 2.406 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccnc(-n3cccn3)c2)CC1 ZINC000151089288 539752030 /nfs/dbraw/zinc/75/20/30/539752030.db2.gz GXUWTRKTXWXXIU-UHFFFAOYSA-N 2 1 299.422 2.231 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000090720382 180030261 /nfs/dbraw/zinc/03/02/61/180030261.db2.gz LQGKSJNJFJMWND-TZMCWYRMSA-N 2 1 278.396 2.276 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000090720382 180030263 /nfs/dbraw/zinc/03/02/63/180030263.db2.gz LQGKSJNJFJMWND-TZMCWYRMSA-N 2 1 278.396 2.276 20 0 CEADMP C[C@@H](Cc1cccs1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000669618851 539756097 /nfs/dbraw/zinc/75/60/97/539756097.db2.gz IUYNRFZPOSMXQV-AWEZNQCLSA-N 2 1 295.496 2.295 20 0 CEADMP Cc1csc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC000623891012 350136179 /nfs/dbraw/zinc/13/61/79/350136179.db2.gz ANGOGTOJTYMQPS-KGLIPLIRSA-N 2 1 297.468 2.339 20 0 CEADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000623960607 350156245 /nfs/dbraw/zinc/15/62/45/350156245.db2.gz BGWAGSYGJJBDTD-IAGOWNOFSA-N 2 1 276.424 2.054 20 0 CEADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000623960607 350156247 /nfs/dbraw/zinc/15/62/47/350156247.db2.gz BGWAGSYGJJBDTD-IAGOWNOFSA-N 2 1 276.424 2.054 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+](CCO)[C@H]1CCc2ccccc21 ZINC000271286301 191051757 /nfs/dbraw/zinc/05/17/57/191051757.db2.gz LRQCMLFRMINBHC-WMZOPIPTSA-N 2 1 288.435 2.453 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000271286301 191051760 /nfs/dbraw/zinc/05/17/60/191051760.db2.gz LRQCMLFRMINBHC-WMZOPIPTSA-N 2 1 288.435 2.453 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000271286301 191051762 /nfs/dbraw/zinc/05/17/62/191051762.db2.gz LRQCMLFRMINBHC-WMZOPIPTSA-N 2 1 288.435 2.453 20 0 CEADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cn1 ZINC000624121575 350199960 /nfs/dbraw/zinc/19/99/60/350199960.db2.gz YGYZFTSCHYSPML-KBPBESRZSA-N 2 1 264.417 2.286 20 0 CEADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000624121575 350199963 /nfs/dbraw/zinc/19/99/63/350199963.db2.gz YGYZFTSCHYSPML-KBPBESRZSA-N 2 1 264.417 2.286 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CCCCO1 ZINC000624123206 350200680 /nfs/dbraw/zinc/20/06/80/350200680.db2.gz IBRPHVNWOKQEFP-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000092253594 180353193 /nfs/dbraw/zinc/35/31/93/180353193.db2.gz IXGFHOAHAVBFIO-MRXNPFEDSA-N 2 1 289.423 2.419 20 0 CEADMP CC(=O)Nc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000092253594 180353195 /nfs/dbraw/zinc/35/31/95/180353195.db2.gz IXGFHOAHAVBFIO-MRXNPFEDSA-N 2 1 289.423 2.419 20 0 CEADMP CC(=O)Nc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000092253594 180353197 /nfs/dbraw/zinc/35/31/97/180353197.db2.gz IXGFHOAHAVBFIO-MRXNPFEDSA-N 2 1 289.423 2.419 20 0 CEADMP CCO[C@H](C[N@H+](C)C1CC[NH+](CC)CC1)C1CC1 ZINC000625205764 350428291 /nfs/dbraw/zinc/42/82/91/350428291.db2.gz DBWMZYBHIBMMOH-OAHLLOKOSA-N 2 1 254.418 2.218 20 0 CEADMP CCO[C@H](C[N@@H+](C)C1CC[NH+](CC)CC1)C1CC1 ZINC000625205764 350428295 /nfs/dbraw/zinc/42/82/95/350428295.db2.gz DBWMZYBHIBMMOH-OAHLLOKOSA-N 2 1 254.418 2.218 20 0 CEADMP CC[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000151718433 539798282 /nfs/dbraw/zinc/79/82/82/539798282.db2.gz ABPPDZDXBNZSQG-GDBMZVCRSA-N 3 1 267.461 2.181 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1O ZINC000106868678 186144848 /nfs/dbraw/zinc/14/48/48/186144848.db2.gz NOLSRASIJDWHES-UONOGXRCSA-N 2 1 276.380 2.117 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1O ZINC000106868678 186144850 /nfs/dbraw/zinc/14/48/50/186144850.db2.gz NOLSRASIJDWHES-UONOGXRCSA-N 2 1 276.380 2.117 20 0 CEADMP Fc1ccc(SCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107574507 186179401 /nfs/dbraw/zinc/17/94/01/186179401.db2.gz NZUIBXYXRLBUCM-TXEJJXNPSA-N 2 1 266.385 2.069 20 0 CEADMP Fc1ccc(SCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107574507 186179403 /nfs/dbraw/zinc/17/94/03/186179403.db2.gz NZUIBXYXRLBUCM-TXEJJXNPSA-N 2 1 266.385 2.069 20 0 CEADMP CCCC[C@H](C(=O)OC)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130531887 365966029 /nfs/dbraw/zinc/96/60/29/365966029.db2.gz YXKLYUHPRVXFSZ-CQSZACIVSA-N 2 1 281.400 2.245 20 0 CEADMP CCCC[C@H](C(=O)OC)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130531887 365966033 /nfs/dbraw/zinc/96/60/33/365966033.db2.gz YXKLYUHPRVXFSZ-CQSZACIVSA-N 2 1 281.400 2.245 20 0 CEADMP CCC(O)(CC)C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000626111628 350657114 /nfs/dbraw/zinc/65/71/14/350657114.db2.gz UUCCZUBPLURBTE-UHFFFAOYSA-N 2 1 256.434 2.345 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CC(F)(F)C1 ZINC000628216935 351009159 /nfs/dbraw/zinc/00/91/59/351009159.db2.gz FWRQAZVILHDXMD-OCCSQVGLSA-N 2 1 290.398 2.247 20 0 CEADMP CC[C@H](C)[N@@H+](CCO)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000628302094 351050695 /nfs/dbraw/zinc/05/06/95/351050695.db2.gz PXQUHRSTYLLKAY-ZDUSSCGKSA-N 2 1 288.395 2.169 20 0 CEADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2cccc3Cl)CCOCC1 ZINC000629519702 351386618 /nfs/dbraw/zinc/38/66/18/351386618.db2.gz CKXMWGHQOJOFTG-AWEZNQCLSA-N 2 1 280.799 2.425 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)Cc1ccccc1F ZINC000629527097 351391581 /nfs/dbraw/zinc/39/15/81/351391581.db2.gz JZQNIFKLNFEGHB-TUKIKUTGSA-N 2 1 250.361 2.487 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC000629527378 351391791 /nfs/dbraw/zinc/39/17/91/351391791.db2.gz TYTSLPZVELGMMM-CRWXNKLISA-N 2 1 254.418 2.310 20 0 CEADMP C[C@H](N[C@@H]1CC[NH2+][C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629545786 351406214 /nfs/dbraw/zinc/40/62/14/351406214.db2.gz RDBUVEZAMMQBCA-UOVPBQLFSA-N 2 1 287.451 2.237 20 0 CEADMP CCO[C@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000629536409 351399687 /nfs/dbraw/zinc/39/96/87/351399687.db2.gz JZBJCDFVZMVYBW-HUUCEWRRSA-N 2 1 254.418 2.299 20 0 CEADMP CCO[C@H](C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)C1CC1 ZINC000629542064 351402493 /nfs/dbraw/zinc/40/24/93/351402493.db2.gz XTVQFKYNEAQKEO-MYZSUADSSA-N 2 1 254.418 2.107 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(Br)cc2)CCOCC1 ZINC000629389217 351347142 /nfs/dbraw/zinc/34/71/42/351347142.db2.gz ZPGBDTGCFOITOC-UHFFFAOYSA-N 2 1 299.212 2.047 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1(C)C ZINC000629542985 351403765 /nfs/dbraw/zinc/40/37/65/351403765.db2.gz QJQKSLJTEVJIJN-ZOBORPQBSA-N 2 1 254.418 2.309 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542929 351404072 /nfs/dbraw/zinc/40/40/72/351404072.db2.gz PMZPESNHKJZQCS-BZPMIXESSA-N 2 1 250.361 2.487 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC1=Cc2ccccc2OC1 ZINC000629647443 351445804 /nfs/dbraw/zinc/44/58/04/351445804.db2.gz VDEJVULVLMDNNA-QWHCGFSZSA-N 2 1 258.365 2.132 20 0 CEADMP CC(C)C[C@@H](CN)[NH2+]CC1=Cc2ccccc2OC1 ZINC000629648335 351447311 /nfs/dbraw/zinc/44/73/11/351447311.db2.gz SQOOHUUZQZJBPK-HNNXBMFYSA-N 2 1 260.381 2.425 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+]CC1=Cc2ccccc2OC1 ZINC000629648335 351447315 /nfs/dbraw/zinc/44/73/15/351447315.db2.gz SQOOHUUZQZJBPK-HNNXBMFYSA-N 2 1 260.381 2.425 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(C)c2ncccc2c1 ZINC000629652680 351449906 /nfs/dbraw/zinc/44/99/06/351449906.db2.gz CFIRRDSAHZWJTR-UHFFFAOYSA-N 2 1 287.407 2.211 20 0 CEADMP CCc1cccc(F)c1C[N@@H+](C)CCOCC[NH2+]C ZINC000629653672 351450517 /nfs/dbraw/zinc/45/05/17/351450517.db2.gz LZFJFUDPVQAXNE-UHFFFAOYSA-N 2 1 268.376 2.056 20 0 CEADMP C1=C(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)COCC1 ZINC000629653450 351451170 /nfs/dbraw/zinc/45/11/70/351451170.db2.gz IYIANMRCIMBVNZ-JKSUJKDBSA-N 2 1 264.413 2.045 20 0 CEADMP CCC[C@H](C[N@@H+](C)CCOCC[NH3+])c1ccccc1 ZINC000629662909 351456248 /nfs/dbraw/zinc/45/62/48/351456248.db2.gz IDYJHHLQJCYJOM-MRXNPFEDSA-N 2 1 264.413 2.477 20 0 CEADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC(F)(F)CC1 ZINC000629558663 351413794 /nfs/dbraw/zinc/41/37/94/351413794.db2.gz LPIVBRSSFAWIMS-GJZGRUSLSA-N 2 1 298.377 2.039 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)CC[C@H]1C(F)(F)F ZINC000629561036 351414558 /nfs/dbraw/zinc/41/45/58/351414558.db2.gz GMKFSJHGKWZVCD-FRRDWIJNSA-N 2 1 294.361 2.405 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1C(F)(F)F ZINC000629566505 351417706 /nfs/dbraw/zinc/41/77/06/351417706.db2.gz ZLJVALQTJBPVLE-MLGHIDQZSA-N 2 1 276.346 2.492 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC000629571448 351418858 /nfs/dbraw/zinc/41/88/58/351418858.db2.gz MDSCLSDXUVUVAR-CABCVRRESA-N 2 1 256.434 2.371 20 0 CEADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000629579038 351420476 /nfs/dbraw/zinc/42/04/76/351420476.db2.gz OZUWJTKIUHRTNB-CQSZACIVSA-N 2 1 254.349 2.184 20 0 CEADMP COc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1F ZINC000629588868 351425010 /nfs/dbraw/zinc/42/50/10/351425010.db2.gz MQUNDWGATIFIKQ-TZMCWYRMSA-N 2 1 278.371 2.233 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149664 363037298 /nfs/dbraw/zinc/03/72/98/363037298.db2.gz MTLBJQIBVQHSBW-INIZCTEOSA-N 2 1 297.487 2.330 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149664 363037303 /nfs/dbraw/zinc/03/73/03/363037303.db2.gz MTLBJQIBVQHSBW-INIZCTEOSA-N 2 1 297.487 2.330 20 0 CEADMP C[N@@H+](CC(=O)Nc1ccc(-n2ccnc2)cc1)C1CCC1 ZINC000629946241 351546930 /nfs/dbraw/zinc/54/69/30/351546930.db2.gz BVRDQWQKVZFXHQ-UHFFFAOYSA-N 2 1 284.363 2.295 20 0 CEADMP CN(CC(=O)Nc1ccc(-n2ccnc2)cc1)C1CCC1 ZINC000629946241 351546931 /nfs/dbraw/zinc/54/69/31/351546931.db2.gz BVRDQWQKVZFXHQ-UHFFFAOYSA-N 2 1 284.363 2.295 20 0 CEADMP Cc1cn2cc(NC(=O)C[N@H+](C)C3CCC3)ccc2n1 ZINC000629957745 351554088 /nfs/dbraw/zinc/55/40/88/351554088.db2.gz UZYZABAXEPVNOL-UHFFFAOYSA-N 2 1 272.352 2.066 20 0 CEADMP Cc1cn2cc(NC(=O)CN(C)C3CCC3)ccc2n1 ZINC000629957745 351554091 /nfs/dbraw/zinc/55/40/91/351554091.db2.gz UZYZABAXEPVNOL-UHFFFAOYSA-N 2 1 272.352 2.066 20 0 CEADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000131387831 366049838 /nfs/dbraw/zinc/04/98/38/366049838.db2.gz UCOUKDDDJKGZIW-GOSISDBHSA-N 2 1 299.418 2.151 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)CC[N@@H+]1C ZINC000131364897 366046171 /nfs/dbraw/zinc/04/61/71/366046171.db2.gz OIWGRWMIYWFXIK-GOEBONIOSA-N 2 1 288.439 2.254 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)CC[N@H+]1C ZINC000131364897 366046177 /nfs/dbraw/zinc/04/61/77/366046177.db2.gz OIWGRWMIYWFXIK-GOEBONIOSA-N 2 1 288.439 2.254 20 0 CEADMP CC[C@H](C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1)[NH+](C)C ZINC000122505973 187035296 /nfs/dbraw/zinc/03/52/96/187035296.db2.gz QFVZKSVGYMPUGG-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000122597751 187040206 /nfs/dbraw/zinc/04/02/06/187040206.db2.gz QXUXSMXREXNWCC-CQSZACIVSA-N 2 1 273.384 2.184 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000122597751 187040207 /nfs/dbraw/zinc/04/02/07/187040207.db2.gz QXUXSMXREXNWCC-CQSZACIVSA-N 2 1 273.384 2.184 20 0 CEADMP Cn1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000122982338 187063916 /nfs/dbraw/zinc/06/39/16/187063916.db2.gz KGJWUHZALIFHLH-UHFFFAOYSA-N 2 1 299.418 2.147 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)Cc2ccccc2)CC[N@@H+]1C ZINC000123734247 187106434 /nfs/dbraw/zinc/10/64/34/187106434.db2.gz NNDYUVWDXSRMSR-BHYGNILZSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)Cc2ccccc2)CC[N@H+]1C ZINC000123734247 187106435 /nfs/dbraw/zinc/10/64/35/187106435.db2.gz NNDYUVWDXSRMSR-BHYGNILZSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)Cc2ccccc2)CC[NH+]1C ZINC000123734247 187106436 /nfs/dbraw/zinc/10/64/36/187106436.db2.gz NNDYUVWDXSRMSR-BHYGNILZSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)Cc2ccccc2)CC[NH+]1C ZINC000123734247 187106437 /nfs/dbraw/zinc/10/64/37/187106437.db2.gz NNDYUVWDXSRMSR-BHYGNILZSA-N 2 1 276.424 2.005 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631055938 351941310 /nfs/dbraw/zinc/94/13/10/351941310.db2.gz BCOBBQUABULWCP-CQSZACIVSA-N 2 1 290.455 2.120 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631055938 351941311 /nfs/dbraw/zinc/94/13/11/351941311.db2.gz BCOBBQUABULWCP-CQSZACIVSA-N 2 1 290.455 2.120 20 0 CEADMP COc1cncc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000631157432 351991110 /nfs/dbraw/zinc/99/11/10/351991110.db2.gz AOWHNPWCTTYZIW-CQSZACIVSA-N 2 1 277.412 2.220 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+](C)C(C)C)c(C[NH+](C)C)c1 ZINC000072841198 363171012 /nfs/dbraw/zinc/17/10/12/363171012.db2.gz MDADHEDUDCXRGE-UHFFFAOYSA-N 2 1 277.412 2.335 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1F ZINC000094954881 539888349 /nfs/dbraw/zinc/88/83/49/539888349.db2.gz PDQDKWXGTMSQEU-UKRRQHHQSA-N 2 1 280.387 2.241 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cncnc1 ZINC000344778732 539910393 /nfs/dbraw/zinc/91/03/93/539910393.db2.gz XFYHGXWBSVPGHD-HZPDHXFCSA-N 2 1 276.428 2.467 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000271587796 191229088 /nfs/dbraw/zinc/22/90/88/191229088.db2.gz XRQQEHALFBMMNL-KFZJALRRSA-N 2 1 294.414 2.047 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)CCc3ccccc3)C2)C1 ZINC000292205023 198202403 /nfs/dbraw/zinc/20/24/03/198202403.db2.gz SRADVGQBRCZXLS-ZWKOTPCHSA-N 2 1 288.435 2.008 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)CCc3ccccc3)C2)C1 ZINC000292205023 198202404 /nfs/dbraw/zinc/20/24/04/198202404.db2.gz SRADVGQBRCZXLS-ZWKOTPCHSA-N 2 1 288.435 2.008 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)CCc3ccccc3)C2)C1 ZINC000292205023 198202406 /nfs/dbraw/zinc/20/24/06/198202406.db2.gz SRADVGQBRCZXLS-ZWKOTPCHSA-N 2 1 288.435 2.008 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(C)n1 ZINC000152413919 188016718 /nfs/dbraw/zinc/01/67/18/188016718.db2.gz HNJQUPSYAWRUKP-BXUZGUMPSA-N 2 1 274.412 2.228 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)n1 ZINC000152413919 188016719 /nfs/dbraw/zinc/01/67/19/188016719.db2.gz HNJQUPSYAWRUKP-BXUZGUMPSA-N 2 1 274.412 2.228 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cncc(F)c1 ZINC000152456711 188020595 /nfs/dbraw/zinc/02/05/95/188020595.db2.gz XDEYPJAASJDRPH-VXGBXAGGSA-N 2 1 263.360 2.356 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cncc(F)c1 ZINC000152456711 188020596 /nfs/dbraw/zinc/02/05/96/188020596.db2.gz XDEYPJAASJDRPH-VXGBXAGGSA-N 2 1 263.360 2.356 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250605193 539966677 /nfs/dbraw/zinc/96/66/77/539966677.db2.gz LBHJPBGEGUDDBJ-QBPKDAKJSA-N 3 1 279.472 2.229 20 0 CEADMP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250605193 539966680 /nfs/dbraw/zinc/96/66/80/539966680.db2.gz LBHJPBGEGUDDBJ-QBPKDAKJSA-N 2 1 279.472 2.229 20 0 CEADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250605193 539966682 /nfs/dbraw/zinc/96/66/82/539966682.db2.gz LBHJPBGEGUDDBJ-QBPKDAKJSA-N 2 1 279.472 2.229 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CCn1cccn1 ZINC000157887926 188345308 /nfs/dbraw/zinc/34/53/08/188345308.db2.gz LLIOALYCZBFQSP-AWEZNQCLSA-N 2 1 275.400 2.237 20 0 CEADMP FC(F)(F)[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000312326623 282915125 /nfs/dbraw/zinc/91/51/25/282915125.db2.gz YTAIGJGYXPEBID-DGCLKSJQSA-N 2 1 292.345 2.313 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000494889226 291003389 /nfs/dbraw/zinc/00/33/89/291003389.db2.gz KGBHMIMFVWNKNV-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000494893348 291003496 /nfs/dbraw/zinc/00/34/96/291003496.db2.gz WFSIHOCRRQUOJR-HUUCEWRRSA-N 2 1 295.471 2.288 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCSC[C@H](C)C1 ZINC000488198303 290383359 /nfs/dbraw/zinc/38/33/59/290383359.db2.gz JDZUHBMNSRUJKC-GFCCVEGCSA-N 2 1 253.415 2.267 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCSC[C@H](C)C1 ZINC000488198303 290383362 /nfs/dbraw/zinc/38/33/62/290383362.db2.gz JDZUHBMNSRUJKC-GFCCVEGCSA-N 2 1 253.415 2.267 20 0 CEADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494926608 291005661 /nfs/dbraw/zinc/00/56/61/291005661.db2.gz UVPWJIGWGAVJSI-UONOGXRCSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494926608 291005664 /nfs/dbraw/zinc/00/56/64/291005664.db2.gz UVPWJIGWGAVJSI-UONOGXRCSA-N 2 1 295.471 2.144 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451485812 283005988 /nfs/dbraw/zinc/00/59/88/283005988.db2.gz BYLODNZPLRILCP-LXTVHRRPSA-N 2 1 264.413 2.018 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(COC)CCC2)[C@H](C)C1 ZINC000337381387 366146093 /nfs/dbraw/zinc/14/60/93/366146093.db2.gz JJGOINQJBQMKPE-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP CCOc1cccc(C[NH2+]CCCn2cc[nH+]c2C)n1 ZINC000337951084 366187986 /nfs/dbraw/zinc/18/79/86/366187986.db2.gz XTLRVKONSJWUSF-UHFFFAOYSA-N 2 1 274.368 2.165 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000271755680 191308987 /nfs/dbraw/zinc/30/89/87/191308987.db2.gz GYAMQAMGLMIILY-INIZCTEOSA-N 2 1 273.380 2.295 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000495459774 291039648 /nfs/dbraw/zinc/03/96/48/291039648.db2.gz UZXQPISHTKDUHW-MCIONIFRSA-N 2 1 299.459 2.220 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451709524 283080225 /nfs/dbraw/zinc/08/02/25/283080225.db2.gz ONEOYGMAULFKBS-QBPKDAKJSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451709524 283080228 /nfs/dbraw/zinc/08/02/28/283080228.db2.gz ONEOYGMAULFKBS-QBPKDAKJSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451709524 283080230 /nfs/dbraw/zinc/08/02/30/283080230.db2.gz ONEOYGMAULFKBS-QBPKDAKJSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451709524 283080234 /nfs/dbraw/zinc/08/02/34/283080234.db2.gz ONEOYGMAULFKBS-QBPKDAKJSA-N 2 1 280.456 2.344 20 0 CEADMP COC[C@@H](Cc1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271844188 191362471 /nfs/dbraw/zinc/36/24/71/191362471.db2.gz HLRAHNKGJARCMO-QGZVFWFLSA-N 2 1 274.408 2.096 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000271861190 191373995 /nfs/dbraw/zinc/37/39/95/191373995.db2.gz FALHJWOOPIXYMR-GFCCVEGCSA-N 2 1 259.353 2.035 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1F ZINC000380779659 540135751 /nfs/dbraw/zinc/13/57/51/540135751.db2.gz UHNCUUVTHVXPJV-BBRMVZONSA-N 2 1 278.371 2.395 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1F ZINC000380779659 540135756 /nfs/dbraw/zinc/13/57/56/540135756.db2.gz UHNCUUVTHVXPJV-BBRMVZONSA-N 2 1 278.371 2.395 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000161974305 540146014 /nfs/dbraw/zinc/14/60/14/540146014.db2.gz COOXRPXUHCXJBN-UONOGXRCSA-N 2 1 260.381 2.237 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CCOc2ccccc21 ZINC000161974305 540146017 /nfs/dbraw/zinc/14/60/17/540146017.db2.gz COOXRPXUHCXJBN-UONOGXRCSA-N 2 1 260.381 2.237 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000335935430 283101730 /nfs/dbraw/zinc/10/17/30/283101730.db2.gz QAMAHPBSUJOXNU-GDBMZVCRSA-N 2 1 266.429 2.146 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000335935430 283101736 /nfs/dbraw/zinc/10/17/36/283101736.db2.gz QAMAHPBSUJOXNU-GDBMZVCRSA-N 2 1 266.429 2.146 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000375863744 283134725 /nfs/dbraw/zinc/13/47/25/283134725.db2.gz XYJCOOSLWJNCPV-IHRRRGAJSA-N 2 1 282.428 2.181 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451894203 283136735 /nfs/dbraw/zinc/13/67/35/283136735.db2.gz CQSNUOLKPHOFAP-OAHLLOKOSA-N 2 1 263.385 2.084 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451894203 283136740 /nfs/dbraw/zinc/13/67/40/283136740.db2.gz CQSNUOLKPHOFAP-OAHLLOKOSA-N 2 1 263.385 2.084 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCSC2)[C@@H]2CCC[C@H]21 ZINC000353604102 283137580 /nfs/dbraw/zinc/13/75/80/283137580.db2.gz IFWWOXJFYYIZBE-XDQVBPFNSA-N 2 1 254.443 2.202 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000338297665 366280371 /nfs/dbraw/zinc/28/03/71/366280371.db2.gz AXLDUUAAMCYZCA-HUUCEWRRSA-N 2 1 256.434 2.201 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](COC)CC1 ZINC000452098945 283186470 /nfs/dbraw/zinc/18/64/70/283186470.db2.gz GKMZXTFJFIMROT-HNNXBMFYSA-N 2 1 256.434 2.467 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000353493620 283187481 /nfs/dbraw/zinc/18/74/81/283187481.db2.gz XFJXSLAOACQBFC-OFQRWUPVSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000353493620 283187484 /nfs/dbraw/zinc/18/74/84/283187484.db2.gz XFJXSLAOACQBFC-OFQRWUPVSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000353493620 283187488 /nfs/dbraw/zinc/18/74/88/283187488.db2.gz XFJXSLAOACQBFC-OFQRWUPVSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC(C)(C)C1 ZINC000452112359 283190598 /nfs/dbraw/zinc/19/05/98/283190598.db2.gz XFPJNYCHCWQITH-OAHLLOKOSA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC(C)(C)C1 ZINC000452112359 283190600 /nfs/dbraw/zinc/19/06/00/283190600.db2.gz XFPJNYCHCWQITH-OAHLLOKOSA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC(C)(C)C1 ZINC000452112359 283190603 /nfs/dbraw/zinc/19/06/03/283190603.db2.gz XFPJNYCHCWQITH-OAHLLOKOSA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC(C)(C)C1 ZINC000452112359 283190606 /nfs/dbraw/zinc/19/06/06/283190606.db2.gz XFPJNYCHCWQITH-OAHLLOKOSA-N 2 1 268.445 2.341 20 0 CEADMP C[N@@H+](CCn1cccn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110178 363522553 /nfs/dbraw/zinc/52/25/53/363522553.db2.gz KNIOXHLIPAKQPM-GOSISDBHSA-N 2 1 298.434 2.337 20 0 CEADMP C[NH+](CCn1cccn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110178 363522557 /nfs/dbraw/zinc/52/25/57/363522557.db2.gz KNIOXHLIPAKQPM-GOSISDBHSA-N 2 1 298.434 2.337 20 0 CEADMP C[NH+](CCn1cccn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110178 363522562 /nfs/dbraw/zinc/52/25/62/363522562.db2.gz KNIOXHLIPAKQPM-GOSISDBHSA-N 2 1 298.434 2.337 20 0 CEADMP Cc1ccc(CC[NH+]2CCC(CO)([NH2+]C(C)C)CC2)cc1 ZINC000575812518 366362829 /nfs/dbraw/zinc/36/28/29/366362829.db2.gz MUAXOLFGILDGKW-UHFFFAOYSA-N 2 1 290.451 2.362 20 0 CEADMP COC(=O)CCC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000577708968 366384055 /nfs/dbraw/zinc/38/40/55/366384055.db2.gz NYKKDACIJXZFPM-AWEZNQCLSA-N 2 1 270.417 2.025 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000496245827 291121151 /nfs/dbraw/zinc/12/11/51/291121151.db2.gz PNLVHJUASYOIHS-IHRRRGAJSA-N 2 1 297.443 2.068 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000496245827 291121154 /nfs/dbraw/zinc/12/11/54/291121154.db2.gz PNLVHJUASYOIHS-IHRRRGAJSA-N 2 1 297.443 2.068 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC000357773718 540367797 /nfs/dbraw/zinc/36/77/97/540367797.db2.gz HVLFIWLXFUJSII-LBPRGKRZSA-N 2 1 250.390 2.048 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC000357773718 540367798 /nfs/dbraw/zinc/36/77/98/540367798.db2.gz HVLFIWLXFUJSII-LBPRGKRZSA-N 2 1 250.390 2.048 20 0 CEADMP CNC(=O)C[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000268831083 283328653 /nfs/dbraw/zinc/32/86/53/283328653.db2.gz OIJSHTTVEDRECY-CQSZACIVSA-N 2 1 291.439 2.141 20 0 CEADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H](CCO)c1ccccc1 ZINC000294752015 199165948 /nfs/dbraw/zinc/16/59/48/199165948.db2.gz KXIRNFSYBWIZIC-INIZCTEOSA-N 2 1 262.397 2.042 20 0 CEADMP COCc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000135086137 366394736 /nfs/dbraw/zinc/39/47/36/366394736.db2.gz HEHWVRCDUDIIBT-CJNGLKHVSA-N 2 1 262.397 2.263 20 0 CEADMP C[N@@H+](C[C@@H](O)CN[C@@H]1CCCc2c(F)cccc21)C1CC1 ZINC000577722594 366387226 /nfs/dbraw/zinc/38/72/26/366387226.db2.gz VICUNJOHHKGPER-SUMWQHHRSA-N 2 1 292.398 2.248 20 0 CEADMP CN(C[C@@H](O)C[NH2+][C@@H]1CCCc2c(F)cccc21)C1CC1 ZINC000577722594 366387235 /nfs/dbraw/zinc/38/72/35/366387235.db2.gz VICUNJOHHKGPER-SUMWQHHRSA-N 2 1 292.398 2.248 20 0 CEADMP C[C@@H]1CCC[C@@](C[NH2+]CC2(C)COC2)([NH+](C)C)C1 ZINC000079473947 363605788 /nfs/dbraw/zinc/60/57/88/363605788.db2.gz HMFALXIGRLEXRP-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc2ccccc2s1 ZINC000135424396 366437736 /nfs/dbraw/zinc/43/77/36/366437736.db2.gz AJCKMFKLWVRUCU-WDEREUQCSA-N 2 1 261.394 2.465 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc2ccccc2s1 ZINC000135424396 366437737 /nfs/dbraw/zinc/43/77/37/366437737.db2.gz AJCKMFKLWVRUCU-WDEREUQCSA-N 2 1 261.394 2.465 20 0 CEADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000578185529 366455196 /nfs/dbraw/zinc/45/51/96/366455196.db2.gz RFJGUBOJJPFQGX-HIFRSBDPSA-N 2 1 275.396 2.135 20 0 CEADMP CC[C@H]1CC[C@H](C)[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000136185491 366501944 /nfs/dbraw/zinc/50/19/44/366501944.db2.gz PKHQWZCOURFBQP-UWVGGRQHSA-N 2 1 252.362 2.026 20 0 CEADMP Cc1ccoc1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000136214150 366503188 /nfs/dbraw/zinc/50/31/88/366503188.db2.gz DEAVTXWBMCDNGC-UHFFFAOYSA-N 2 1 289.379 2.213 20 0 CEADMP Cc1cccc([C@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c1 ZINC000570920639 299285426 /nfs/dbraw/zinc/28/54/26/299285426.db2.gz SQJZSFOBZZUCGL-ZDUSSCGKSA-N 2 1 299.422 2.431 20 0 CEADMP c1cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667682073 540518572 /nfs/dbraw/zinc/51/85/72/540518572.db2.gz ZNTGYAUHZPJZAL-GJZGRUSLSA-N 2 1 298.390 2.126 20 0 CEADMP c1cc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667682073 540518575 /nfs/dbraw/zinc/51/85/75/540518575.db2.gz ZNTGYAUHZPJZAL-GJZGRUSLSA-N 2 1 298.390 2.126 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccnn3CC3CC3)CC[C@H]21 ZINC000667705529 540522696 /nfs/dbraw/zinc/52/26/96/540522696.db2.gz FWUYRWDTLYVZBI-NVXWUHKLSA-N 2 1 288.439 2.209 20 0 CEADMP CCN(CC)c1ncc(C[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000666855395 540510011 /nfs/dbraw/zinc/51/00/11/540510011.db2.gz PRPXARZCPDVSDA-GFCCVEGCSA-N 2 1 282.457 2.221 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2COC(C)(C)C2)C[C@H](C)O1 ZINC000578730025 366538279 /nfs/dbraw/zinc/53/82/79/366538279.db2.gz IWIGONDVQGKSIZ-ZNMIVQPWSA-N 2 1 284.444 2.033 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC([NH+](C)C)C1 ZINC000579004548 366580567 /nfs/dbraw/zinc/58/05/67/366580567.db2.gz KNBYRMMHPVDPMY-KUQKPQIMSA-N 2 1 287.451 2.189 20 0 CEADMP COC1(CC[N@H+]2CC[C@H](Oc3ccncc3)C2)CCC1 ZINC000339023999 366618163 /nfs/dbraw/zinc/61/81/63/366618163.db2.gz PHWYTHUZLDRQJK-HNNXBMFYSA-N 2 1 276.380 2.494 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cnn(C)c2)C1 ZINC000151097928 366619025 /nfs/dbraw/zinc/61/90/25/366619025.db2.gz ZSRWKXVSZVZWFA-HIFRSBDPSA-N 2 1 264.417 2.193 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cnn(C)c2)C1 ZINC000151097928 366619033 /nfs/dbraw/zinc/61/90/33/366619033.db2.gz ZSRWKXVSZVZWFA-HIFRSBDPSA-N 2 1 264.417 2.193 20 0 CEADMP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339065999 366638684 /nfs/dbraw/zinc/63/86/84/366638684.db2.gz DKEWMZXDOUVYKQ-ZWKOTPCHSA-N 3 1 287.451 2.465 20 0 CEADMP C[NH+](C)Cc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000339065999 366638687 /nfs/dbraw/zinc/63/86/87/366638687.db2.gz DKEWMZXDOUVYKQ-ZWKOTPCHSA-N 2 1 287.451 2.465 20 0 CEADMP C[NH+](C)Cc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339065999 366638689 /nfs/dbraw/zinc/63/86/89/366638689.db2.gz DKEWMZXDOUVYKQ-ZWKOTPCHSA-N 2 1 287.451 2.465 20 0 CEADMP OCCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000339072281 366640003 /nfs/dbraw/zinc/64/00/03/366640003.db2.gz VOZONXODWMKCSE-LSDHHAIUSA-N 2 1 266.429 2.146 20 0 CEADMP c1nc2ccccc2n1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298246816 200371376 /nfs/dbraw/zinc/37/13/76/200371376.db2.gz DBXRTYXSUFYZMW-UHFFFAOYSA-N 2 1 284.407 2.253 20 0 CEADMP Cc1cnn(CC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000341903508 216145689 /nfs/dbraw/zinc/14/56/89/216145689.db2.gz PELMSZKHUCYZRZ-CVEARBPZSA-N 2 1 290.455 2.434 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2cnn(C)c2)[C@@H](C)C1 ZINC000674305214 540742792 /nfs/dbraw/zinc/74/27/92/540742792.db2.gz GKJKQUNCWRPLFF-HOCLYGCPSA-N 2 1 278.444 2.015 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2cnn(C)c2)[C@@H](C)C1 ZINC000674305214 540742795 /nfs/dbraw/zinc/74/27/95/540742795.db2.gz GKJKQUNCWRPLFF-HOCLYGCPSA-N 2 1 278.444 2.015 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2cnn(C)c2)[C@@H](C)C1 ZINC000674305214 540742799 /nfs/dbraw/zinc/74/27/99/540742799.db2.gz GKJKQUNCWRPLFF-HOCLYGCPSA-N 2 1 278.444 2.015 20 0 CEADMP COC(=O)[C@@H](CC(C)C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367530195 291242482 /nfs/dbraw/zinc/24/24/82/291242482.db2.gz BEVDACKLAMNBTN-OAHLLOKOSA-N 2 1 296.455 2.382 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)O)cc1 ZINC000179584028 189204204 /nfs/dbraw/zinc/20/42/04/189204204.db2.gz GNNWAZJGQBFQAO-VXGBXAGGSA-N 2 1 259.353 2.212 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)O)cc1 ZINC000179579159 189204508 /nfs/dbraw/zinc/20/45/08/189204508.db2.gz GNNWAZJGQBFQAO-RYUDHWBXSA-N 2 1 259.353 2.212 20 0 CEADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cncs2)[C@@H](C)C1 ZINC000676044933 540892559 /nfs/dbraw/zinc/89/25/59/540892559.db2.gz KPUJNUMFMIIIMH-DZGCQCFKSA-N 2 1 297.468 2.370 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cncs2)[C@@H](C)C1 ZINC000676044933 540892560 /nfs/dbraw/zinc/89/25/60/540892560.db2.gz KPUJNUMFMIIIMH-DZGCQCFKSA-N 2 1 297.468 2.370 20 0 CEADMP CC(C)(O)C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180165124 189240837 /nfs/dbraw/zinc/24/08/37/189240837.db2.gz HGBOWTYHWZEXHF-IKGGRYGDSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000180680485 189269635 /nfs/dbraw/zinc/26/96/35/189269635.db2.gz NESDLCCNSYJJBI-NEPJUHHUSA-N 2 1 284.350 2.416 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)CC[N@H+]1C ZINC000180680485 189269636 /nfs/dbraw/zinc/26/96/36/189269636.db2.gz NESDLCCNSYJJBI-NEPJUHHUSA-N 2 1 284.350 2.416 20 0 CEADMP C[N@@H+](CCCn1ccnc1)C[C@H](O)c1c(F)cccc1F ZINC000181105915 189288524 /nfs/dbraw/zinc/28/85/24/189288524.db2.gz SZXAPFUGKOBOQT-AWEZNQCLSA-N 2 1 295.333 2.217 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC(C)(C)CC2)C1 ZINC000579734195 366696721 /nfs/dbraw/zinc/69/67/21/366696721.db2.gz UIUPALCFQIEKPY-ZFWWWQNUSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC(C)(C)CC2)C1 ZINC000579734195 366696729 /nfs/dbraw/zinc/69/67/29/366696729.db2.gz UIUPALCFQIEKPY-ZFWWWQNUSA-N 2 1 254.418 2.002 20 0 CEADMP CO[C@](C)(C[NH2+]CCCCn1cc[nH+]c1C)C1CC1 ZINC000638674941 370678300 /nfs/dbraw/zinc/67/83/00/370678300.db2.gz NPXVEYMBHVTGRY-OAHLLOKOSA-N 2 1 265.401 2.376 20 0 CEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(-n2cncn2)cc1 ZINC000181921710 189310464 /nfs/dbraw/zinc/31/04/64/189310464.db2.gz XDXDIKUSYUJTNS-GOEBONIOSA-N 2 1 299.422 2.402 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1 ZINC000154239014 366763847 /nfs/dbraw/zinc/76/38/47/366763847.db2.gz OSRPVCMXAFYORR-HUUCEWRRSA-N 2 1 250.386 2.040 20 0 CEADMP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154310787 366767217 /nfs/dbraw/zinc/76/72/17/366767217.db2.gz UITUCHHUVVQXLK-DLBZAZTESA-N 2 1 278.440 2.300 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(N[C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000340109536 366774375 /nfs/dbraw/zinc/77/43/75/366774375.db2.gz SEKGRYQLOAWBNY-BBRMVZONSA-N 2 1 261.413 2.419 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)C(F)(F)F)C1 ZINC000581721456 366815047 /nfs/dbraw/zinc/81/50/47/366815047.db2.gz WQZQNFBBAMGDQW-VXGBXAGGSA-N 2 1 282.350 2.011 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)OCC1(C)C ZINC000678077084 541078647 /nfs/dbraw/zinc/07/86/47/541078647.db2.gz HRTXJJFZGAZMMF-CYBMUJFWSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)OCC1(C)C ZINC000678077084 541078649 /nfs/dbraw/zinc/07/86/49/541078649.db2.gz HRTXJJFZGAZMMF-CYBMUJFWSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC(C)(C)OCC1(C)C ZINC000678077084 541078652 /nfs/dbraw/zinc/07/86/52/541078652.db2.gz HRTXJJFZGAZMMF-CYBMUJFWSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC(C)(C)OCC1(C)C ZINC000678077084 541078654 /nfs/dbraw/zinc/07/86/54/541078654.db2.gz HRTXJJFZGAZMMF-CYBMUJFWSA-N 2 1 254.418 2.360 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000581834780 366826423 /nfs/dbraw/zinc/82/64/23/366826423.db2.gz ZUQDYAPJIHJMKK-GXTWGEPZSA-N 2 1 262.401 2.168 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000678343026 541119578 /nfs/dbraw/zinc/11/95/78/541119578.db2.gz KQEJHFMSJWPCIV-GJZGRUSLSA-N 2 1 282.391 2.036 20 0 CEADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678587122 541152974 /nfs/dbraw/zinc/15/29/74/541152974.db2.gz NDTAGNNDBQHNGK-UBDQQSCGSA-N 2 1 288.435 2.367 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000571878006 299333272 /nfs/dbraw/zinc/33/32/72/299333272.db2.gz MFJBMFVYGODVAB-INIZCTEOSA-N 2 1 270.380 2.466 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000571878006 299333276 /nfs/dbraw/zinc/33/32/76/299333276.db2.gz MFJBMFVYGODVAB-INIZCTEOSA-N 2 1 270.380 2.466 20 0 CEADMP Cc1noc(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164043 363880926 /nfs/dbraw/zinc/88/09/26/363880926.db2.gz CEQVPNCBPRYJPZ-AGUYFDCRSA-N 2 1 263.385 2.396 20 0 CEADMP Cc1noc(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164043 363880930 /nfs/dbraw/zinc/88/09/30/363880930.db2.gz CEQVPNCBPRYJPZ-AGUYFDCRSA-N 2 1 263.385 2.396 20 0 CEADMP COCc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000088553533 363906492 /nfs/dbraw/zinc/90/64/92/363906492.db2.gz MJTUXUXFBBLECQ-MRXNPFEDSA-N 2 1 274.408 2.407 20 0 CEADMP CCc1cc(NC[C@@H](C)C[NH+]2CCCC2)nc(C)[nH+]1 ZINC000088760399 363921215 /nfs/dbraw/zinc/92/12/15/363921215.db2.gz NOTLQLXYIDAECV-GFCCVEGCSA-N 2 1 262.401 2.491 20 0 CEADMP Cc1ncsc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000088869675 363927358 /nfs/dbraw/zinc/92/73/58/363927358.db2.gz VJGDCBAFDYAXBY-NSHDSACASA-N 2 1 251.399 2.025 20 0 CEADMP Cc1ncsc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000088869675 363927363 /nfs/dbraw/zinc/92/73/63/363927363.db2.gz VJGDCBAFDYAXBY-NSHDSACASA-N 2 1 251.399 2.025 20 0 CEADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCOCC[NH3+] ZINC000093232474 364153309 /nfs/dbraw/zinc/15/33/09/364153309.db2.gz FYLVZTHWVQLMGY-LLVKDONJSA-N 2 1 256.777 2.308 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)N(C)C)C1 ZINC000356584205 370763932 /nfs/dbraw/zinc/76/39/32/370763932.db2.gz WQJJBTQBPYAKIU-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)N(C)C)C1 ZINC000356584205 370763936 /nfs/dbraw/zinc/76/39/36/370763936.db2.gz WQJJBTQBPYAKIU-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 ZINC000356584205 370763942 /nfs/dbraw/zinc/76/39/42/370763942.db2.gz WQJJBTQBPYAKIU-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)CC(C)(C)C[NH3+])c1C ZINC000093873963 364237577 /nfs/dbraw/zinc/23/75/77/364237577.db2.gz CNPZPNZQFJKBBY-UHFFFAOYSA-N 2 1 265.401 2.124 20 0 CEADMP Cn1cc(C[NH2+]CC(C)(C)C[NH+](C)C)c(C(C)(C)C)n1 ZINC000093945851 364243719 /nfs/dbraw/zinc/24/37/19/364243719.db2.gz IAXBIVSYYQOJCE-UHFFFAOYSA-N 2 1 280.460 2.395 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000094424208 364272443 /nfs/dbraw/zinc/27/24/43/364272443.db2.gz GUNYKYXTIBOZKP-QWHCGFSZSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093770589 364225229 /nfs/dbraw/zinc/22/52/29/364225229.db2.gz SNHYGMWWAPTZRN-AWEZNQCLSA-N 2 1 299.422 2.245 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093770589 364225230 /nfs/dbraw/zinc/22/52/30/364225230.db2.gz SNHYGMWWAPTZRN-AWEZNQCLSA-N 2 1 299.422 2.245 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093770589 364225232 /nfs/dbraw/zinc/22/52/32/364225232.db2.gz SNHYGMWWAPTZRN-AWEZNQCLSA-N 2 1 299.422 2.245 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093770589 364225234 /nfs/dbraw/zinc/22/52/34/364225234.db2.gz SNHYGMWWAPTZRN-AWEZNQCLSA-N 2 1 299.422 2.245 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000334867165 364278784 /nfs/dbraw/zinc/27/87/84/364278784.db2.gz UWMBHGRWBKHRJZ-CVEARBPZSA-N 2 1 296.361 2.293 20 0 CEADMP Cc1cccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn21 ZINC000334979932 364304366 /nfs/dbraw/zinc/30/43/66/364304366.db2.gz KPWFXCNXMONLGQ-HZPDHXFCSA-N 2 1 298.434 2.464 20 0 CEADMP c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000335032370 364379307 /nfs/dbraw/zinc/37/93/07/364379307.db2.gz WFQMAHOXRGWYDR-HOCLYGCPSA-N 2 1 260.381 2.032 20 0 CEADMP C[C@H]1[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)CCC[C@@H]1C ZINC000183139280 291309498 /nfs/dbraw/zinc/30/94/98/291309498.db2.gz XSFIIIMYCIIQIT-GVDBMIGSSA-N 2 1 281.488 2.428 20 0 CEADMP FC(F)(F)CO[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000581924432 366835053 /nfs/dbraw/zinc/83/50/53/366835053.db2.gz ANHMWMWKNFSBBQ-GFCCVEGCSA-N 2 1 280.334 2.029 20 0 CEADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)n1 ZINC000572083813 299344014 /nfs/dbraw/zinc/34/40/14/299344014.db2.gz ULJDIIOZBVLEPE-CHWSQXEVSA-N 2 1 287.411 2.265 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000335103801 364481808 /nfs/dbraw/zinc/48/18/08/364481808.db2.gz MJBVNOYLSKOQOX-AWEZNQCLSA-N 2 1 252.402 2.162 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000102423198 364595839 /nfs/dbraw/zinc/59/58/39/364595839.db2.gz DCHCCGMFHGFNIA-AWEZNQCLSA-N 2 1 272.392 2.394 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000335188083 364597316 /nfs/dbraw/zinc/59/73/16/364597316.db2.gz FFUVIFBYBNWWSE-WCQYABFASA-N 2 1 258.369 2.325 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000335188083 364597323 /nfs/dbraw/zinc/59/73/23/364597323.db2.gz FFUVIFBYBNWWSE-WCQYABFASA-N 2 1 258.369 2.325 20 0 CEADMP C[C@H](CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C[NH+]1CCCC1 ZINC000101647696 364569915 /nfs/dbraw/zinc/56/99/15/364569915.db2.gz HPYKDRAKISFYBX-WCVJEAGWSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000104138856 364680880 /nfs/dbraw/zinc/68/08/80/364680880.db2.gz AXMODSYBMNYCRC-HNNXBMFYSA-N 2 1 269.477 2.427 20 0 CEADMP CC(C)=CCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111231040 364725249 /nfs/dbraw/zinc/72/52/49/364725249.db2.gz KYRPLMMYFNRMRN-MRXNPFEDSA-N 2 1 265.445 2.055 20 0 CEADMP CC(C)=CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111231040 364725253 /nfs/dbraw/zinc/72/52/53/364725253.db2.gz KYRPLMMYFNRMRN-MRXNPFEDSA-N 2 1 265.445 2.055 20 0 CEADMP CC(C)=CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111231040 364725257 /nfs/dbraw/zinc/72/52/57/364725257.db2.gz KYRPLMMYFNRMRN-MRXNPFEDSA-N 2 1 265.445 2.055 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1cncc(F)c1)CC[NH2+]CC2 ZINC000335543106 364801438 /nfs/dbraw/zinc/80/14/38/364801438.db2.gz JEVOKBXUSWRUMJ-GFCCVEGCSA-N 2 1 263.360 2.185 20 0 CEADMP Oc1cc(F)cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335636047 212351984 /nfs/dbraw/zinc/35/19/84/212351984.db2.gz UKSZHIALEAKCNI-ZIAGYGMSSA-N 2 1 278.371 2.353 20 0 CEADMP c1nn2ccccc2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112836453 364849309 /nfs/dbraw/zinc/84/93/09/364849309.db2.gz KQWRUMDZZHVCJF-LSDHHAIUSA-N 2 1 270.380 2.051 20 0 CEADMP c1nn2ccccc2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112836453 364849311 /nfs/dbraw/zinc/84/93/11/364849311.db2.gz KQWRUMDZZHVCJF-LSDHHAIUSA-N 2 1 270.380 2.051 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000113513960 364901711 /nfs/dbraw/zinc/90/17/11/364901711.db2.gz ODEOYBQMCTZPAQ-MRXNPFEDSA-N 2 1 284.407 2.256 20 0 CEADMP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000335750046 364928192 /nfs/dbraw/zinc/92/81/92/364928192.db2.gz YKHQSSWSIGRNFT-ZYHUDNBSSA-N 2 1 276.409 2.307 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000335750046 364928197 /nfs/dbraw/zinc/92/81/97/364928197.db2.gz YKHQSSWSIGRNFT-ZYHUDNBSSA-N 2 1 276.409 2.307 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnc3n2CCCC3)[C@H]2CCC[C@@H]21 ZINC000572186138 299351618 /nfs/dbraw/zinc/35/16/18/299351618.db2.gz OSNXQBINTSPFOC-PMPSAXMXSA-N 2 1 288.439 2.182 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000335786523 364981666 /nfs/dbraw/zinc/98/16/66/364981666.db2.gz VBKLMBHMMSXKAI-CZUORRHYSA-N 2 1 284.407 2.256 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC2(CCOCC2)C1 ZINC000335917634 365159834 /nfs/dbraw/zinc/15/98/34/365159834.db2.gz FWXKXJBOAKCXQU-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000335917634 365159836 /nfs/dbraw/zinc/15/98/36/365159836.db2.gz FWXKXJBOAKCXQU-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC2(CCOCC2)C1 ZINC000335917634 365159844 /nfs/dbraw/zinc/15/98/44/365159844.db2.gz FWXKXJBOAKCXQU-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP COc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000275338528 193004707 /nfs/dbraw/zinc/00/47/07/193004707.db2.gz WPACZQFKLGSRKN-UKRRQHHQSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000275338528 193004709 /nfs/dbraw/zinc/00/47/09/193004709.db2.gz WPACZQFKLGSRKN-UKRRQHHQSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000275338528 193004710 /nfs/dbraw/zinc/00/47/10/193004710.db2.gz WPACZQFKLGSRKN-UKRRQHHQSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000275338528 193004712 /nfs/dbraw/zinc/00/47/12/193004712.db2.gz WPACZQFKLGSRKN-UKRRQHHQSA-N 2 1 262.397 2.467 20 0 CEADMP c1cn(-c2ccc(C[N@@H+]3CCOCC34CC4)cc2)cn1 ZINC000335903167 365139922 /nfs/dbraw/zinc/13/99/22/365139922.db2.gz BHDALXGEDDPDJL-UHFFFAOYSA-N 2 1 269.348 2.237 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CCOCC34CC4)cc2)cn1 ZINC000335903167 365139928 /nfs/dbraw/zinc/13/99/28/365139928.db2.gz BHDALXGEDDPDJL-UHFFFAOYSA-N 2 1 269.348 2.237 20 0 CEADMP COc1cc(C)[nH+]c(CN(C)CC2([NH+](C)C)CCC2)c1 ZINC000275374885 193012613 /nfs/dbraw/zinc/01/26/13/193012613.db2.gz BIYVMMBCKLIYLI-UHFFFAOYSA-N 2 1 277.412 2.315 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000119260485 365243488 /nfs/dbraw/zinc/24/34/88/365243488.db2.gz FRRGTZMVORYVMI-MCIONIFRSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](C)[N@H+](C)CCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000357243547 370810372 /nfs/dbraw/zinc/81/03/72/370810372.db2.gz YEXXTWBBWKGRHV-AWEZNQCLSA-N 2 1 291.443 2.031 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000357243547 370810375 /nfs/dbraw/zinc/81/03/75/370810375.db2.gz YEXXTWBBWKGRHV-AWEZNQCLSA-N 2 1 291.443 2.031 20 0 CEADMP CC[NH+](CC1(C[N@H+](CC)C(C)C)COC1)C(C)C ZINC000119351945 365259089 /nfs/dbraw/zinc/25/90/89/365259089.db2.gz AOIZIKLFEBZTAB-UHFFFAOYSA-N 2 1 256.434 2.464 20 0 CEADMP C[C@H](Cc1ccsc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000582277365 366887745 /nfs/dbraw/zinc/88/77/45/366887745.db2.gz SXNAEQUZIYSQMF-BNOWGMLFSA-N 2 1 250.411 2.173 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc[nH]c(=O)c1 ZINC000340450254 366890194 /nfs/dbraw/zinc/89/01/94/366890194.db2.gz QBPMGQJNELRZEH-IACUBPJLSA-N 2 1 261.369 2.065 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000340506233 366911136 /nfs/dbraw/zinc/91/11/36/366911136.db2.gz JADJHSOCRCPTFM-JYJNAYRXSA-N 2 1 295.471 2.190 20 0 CEADMP COc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)ccn1 ZINC000340544777 366930093 /nfs/dbraw/zinc/93/00/93/366930093.db2.gz XGDXZYZWLKTCMK-LBPRGKRZSA-N 2 1 274.368 2.336 20 0 CEADMP C[C@H]([NH2+]Cc1ccncc1OCC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000582600269 366931476 /nfs/dbraw/zinc/93/14/76/366931476.db2.gz KXSNBRMHZAOYSM-NWDGAFQWSA-N 2 1 299.365 2.203 20 0 CEADMP C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@@H]1CCCC[NH2+]1 ZINC000582779568 366956683 /nfs/dbraw/zinc/95/66/83/366956683.db2.gz WNBMJKFPCNCFKT-JSGCOSHPSA-N 2 1 276.380 2.078 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572404261 299365043 /nfs/dbraw/zinc/36/50/43/299365043.db2.gz CIOPHCVAFFSSSE-KRWDZBQOSA-N 2 1 290.455 2.120 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572404261 299365046 /nfs/dbraw/zinc/36/50/46/299365046.db2.gz CIOPHCVAFFSSSE-KRWDZBQOSA-N 2 1 290.455 2.120 20 0 CEADMP C[NH2+][C@@H]1CCC[N@H+](C[C@H](C)CC2CCOCC2)C1 ZINC000340671376 366978837 /nfs/dbraw/zinc/97/88/37/366978837.db2.gz NBWMIYAVGVHAKJ-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH2+][C@@H]1CCC[N@@H+](C[C@H](C)CC2CCOCC2)C1 ZINC000340671376 366978840 /nfs/dbraw/zinc/97/88/40/366978840.db2.gz NBWMIYAVGVHAKJ-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC000340689034 366989169 /nfs/dbraw/zinc/98/91/69/366989169.db2.gz INJWSIMLDWYQPS-OAHLLOKOSA-N 2 1 297.468 2.384 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC000340689034 366989174 /nfs/dbraw/zinc/98/91/74/366989174.db2.gz INJWSIMLDWYQPS-OAHLLOKOSA-N 2 1 297.468 2.384 20 0 CEADMP CCc1cnc(C[NH+]2CCC(CC[NH2+]C)CC2)o1 ZINC000583028710 366991541 /nfs/dbraw/zinc/99/15/41/366991541.db2.gz SQSKHFFHGYVEMT-UHFFFAOYSA-N 2 1 251.374 2.059 20 0 CEADMP COC[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)CC1 ZINC000583639675 367076721 /nfs/dbraw/zinc/07/67/21/367076721.db2.gz OJSBSNBOTDYHFC-AWEZNQCLSA-N 2 1 265.401 2.101 20 0 CEADMP COC[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)CC1 ZINC000583639675 367076728 /nfs/dbraw/zinc/07/67/28/367076728.db2.gz OJSBSNBOTDYHFC-AWEZNQCLSA-N 2 1 265.401 2.101 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCNc1ccccn1 ZINC000162870278 367198853 /nfs/dbraw/zinc/19/88/53/367198853.db2.gz ZIUANOSRWQHMGQ-CABCVRRESA-N 2 1 276.428 2.204 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000163096151 367217817 /nfs/dbraw/zinc/21/78/17/367217817.db2.gz FDWYRVOLQJPGQW-UHFFFAOYSA-N 2 1 287.411 2.190 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C[NH+](C)C ZINC000341294650 367272826 /nfs/dbraw/zinc/27/28/26/367272826.db2.gz IBPPHMFQMUQGNU-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(C)(C)C)C[C@@H]1C[NH3+] ZINC000163403928 367237911 /nfs/dbraw/zinc/23/79/11/367237911.db2.gz NBJZCMONFHZJDF-OLZOCXBDSA-N 2 1 278.444 2.134 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1C ZINC000631346548 367255824 /nfs/dbraw/zinc/25/58/24/367255824.db2.gz NAYWZRKTHMSTHJ-RRFJBIMHSA-N 2 1 297.487 2.199 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCn2ccnc2C)[C@H](C)C1 ZINC000164619274 367290535 /nfs/dbraw/zinc/29/05/35/367290535.db2.gz WUQLDARMBJGLLQ-GDBMZVCRSA-N 2 1 278.444 2.292 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000164619274 367290539 /nfs/dbraw/zinc/29/05/39/367290539.db2.gz WUQLDARMBJGLLQ-GDBMZVCRSA-N 3 1 278.444 2.292 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000164619274 367290549 /nfs/dbraw/zinc/29/05/49/367290549.db2.gz WUQLDARMBJGLLQ-GDBMZVCRSA-N 3 1 278.444 2.292 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC000342135982 367385833 /nfs/dbraw/zinc/38/58/33/367385833.db2.gz UWNJEERQWFQDGP-NVXWUHKLSA-N 2 1 296.455 2.384 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC[N@@H+]1C ZINC000631588034 367422374 /nfs/dbraw/zinc/42/23/74/367422374.db2.gz PNGSZUSZRGFESI-OWYFMNJBSA-N 2 1 278.440 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC[N@H+]1C ZINC000631588034 367422376 /nfs/dbraw/zinc/42/23/76/367422376.db2.gz PNGSZUSZRGFESI-OWYFMNJBSA-N 2 1 278.440 2.406 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631653700 367469024 /nfs/dbraw/zinc/46/90/24/367469024.db2.gz ZHPVBTNOSGWPLC-QXSJWSMHSA-N 2 1 278.440 2.266 20 0 CEADMP CC1(C)CC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000342725651 367501495 /nfs/dbraw/zinc/50/14/95/367501495.db2.gz GRBXBUASCCFVNE-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000631829022 367567807 /nfs/dbraw/zinc/56/78/07/367567807.db2.gz DQZCGWKMEDRFPV-BPUTZDHNSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1C[NH3+] ZINC000631838607 367579530 /nfs/dbraw/zinc/57/95/30/367579530.db2.gz RAZUBLGRRUYIHI-TZMCWYRMSA-N 2 1 271.364 2.368 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1C[NH3+] ZINC000631838607 367579533 /nfs/dbraw/zinc/57/95/33/367579533.db2.gz RAZUBLGRRUYIHI-TZMCWYRMSA-N 2 1 271.364 2.368 20 0 CEADMP CSc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631843006 367585287 /nfs/dbraw/zinc/58/52/87/367585287.db2.gz IHMMANHCVZSRMM-DGCLKSJQSA-N 2 1 250.411 2.435 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1C ZINC000335543451 212242181 /nfs/dbraw/zinc/24/21/81/212242181.db2.gz LHZRCWLADLWPQR-ZDUSSCGKSA-N 2 1 290.455 2.484 20 0 CEADMP CCC1([NH+](C)C)CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000631865888 367599869 /nfs/dbraw/zinc/59/98/69/367599869.db2.gz QLGHFILYOVTJQH-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000342993840 367624020 /nfs/dbraw/zinc/62/40/20/367624020.db2.gz XTOUHSTYDSVNEK-BBRMVZONSA-N 2 1 289.423 2.193 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCc2cncn2C)C1 ZINC000572539087 299377377 /nfs/dbraw/zinc/37/73/77/299377377.db2.gz UVIBAKBWMMQTOJ-OAHLLOKOSA-N 2 1 278.444 2.016 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCc2cncn2C)C1 ZINC000572539087 299377374 /nfs/dbraw/zinc/37/73/74/299377374.db2.gz UVIBAKBWMMQTOJ-OAHLLOKOSA-N 2 1 278.444 2.016 20 0 CEADMP Cn1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000343138365 367682277 /nfs/dbraw/zinc/68/22/77/367682277.db2.gz MOLOGNMDMFDBEN-UHFFFAOYSA-N 2 1 276.428 2.307 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCc2cccnc2)CC1 ZINC000172164526 367687802 /nfs/dbraw/zinc/68/78/02/367687802.db2.gz DLOGEMDWVGYKBX-UHFFFAOYSA-N 2 1 261.413 2.430 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCc2cncn2C)C1 ZINC000572539087 299377380 /nfs/dbraw/zinc/37/73/80/299377380.db2.gz UVIBAKBWMMQTOJ-OAHLLOKOSA-N 3 1 278.444 2.016 20 0 CEADMP FC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000343247974 367723358 /nfs/dbraw/zinc/72/33/58/367723358.db2.gz TXJIGHVKLWDUNL-QJPTWQEYSA-N 2 1 280.334 2.076 20 0 CEADMP c1csc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000358038934 370879517 /nfs/dbraw/zinc/87/95/17/370879517.db2.gz PPYDSTIARVLQCT-CHWSQXEVSA-N 2 1 265.426 2.292 20 0 CEADMP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000343439490 367815772 /nfs/dbraw/zinc/81/57/72/367815772.db2.gz KREHQTYXLXQMAP-PMPSAXMXSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)(C)C ZINC000343517152 367858272 /nfs/dbraw/zinc/85/82/72/367858272.db2.gz WMBPSNKVDSOYNZ-KBPBESRZSA-N 2 1 258.450 2.349 20 0 CEADMP Cc1ccn2c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cnc2c1 ZINC000343609263 367914345 /nfs/dbraw/zinc/91/43/45/367914345.db2.gz GTHZEYSZTNBTEF-LSDHHAIUSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1ccn2c(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cnc2c1 ZINC000343609263 367914352 /nfs/dbraw/zinc/91/43/52/367914352.db2.gz GTHZEYSZTNBTEF-LSDHHAIUSA-N 2 1 284.407 2.359 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCC[C@H]2C)CC1 ZINC000343609436 367915252 /nfs/dbraw/zinc/91/52/52/367915252.db2.gz OZVBDYKHGJXHSU-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP c1[nH]nc2c1cccc2C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000343615819 367917587 /nfs/dbraw/zinc/91/75/87/367917587.db2.gz KYRXYZSQCXCZLI-GJZGRUSLSA-N 2 1 270.380 2.279 20 0 CEADMP Cc1ncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000343558971 367883729 /nfs/dbraw/zinc/88/37/29/367883729.db2.gz UNDFFODMOFZUHP-UHFFFAOYSA-N 2 1 274.412 2.093 20 0 CEADMP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343572012 367891016 /nfs/dbraw/zinc/89/10/16/367891016.db2.gz OBHVYSCUCDVRDM-YVSFHVDLSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343572013 367891813 /nfs/dbraw/zinc/89/18/13/367891813.db2.gz OBHVYSCUCDVRDM-YYIAUSFCSA-N 2 1 281.488 2.284 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC000173920003 367960608 /nfs/dbraw/zinc/96/06/08/367960608.db2.gz XURHRWHJWPUUIP-INIZCTEOSA-N 2 1 288.435 2.438 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000173920003 367960611 /nfs/dbraw/zinc/96/06/11/367960611.db2.gz XURHRWHJWPUUIP-INIZCTEOSA-N 2 1 288.435 2.438 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000173920003 367960613 /nfs/dbraw/zinc/96/06/13/367960613.db2.gz XURHRWHJWPUUIP-INIZCTEOSA-N 2 1 288.435 2.438 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000343902866 368067355 /nfs/dbraw/zinc/06/73/55/368067355.db2.gz TWERRHGVPWJXHE-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000343902866 368067360 /nfs/dbraw/zinc/06/73/60/368067360.db2.gz TWERRHGVPWJXHE-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](NCC[NH+](C)C2CCCCC2)C1 ZINC000343788167 368004829 /nfs/dbraw/zinc/00/48/29/368004829.db2.gz UWLXOJXSWLICTC-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1C[C@@H](C)[C@H](NCC[N@H+](C)C2CCCCC2)C1 ZINC000343788167 368004832 /nfs/dbraw/zinc/00/48/32/368004832.db2.gz UWLXOJXSWLICTC-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1C[C@@H](C)[C@H](NCC[N@@H+](C)C2CCCCC2)C1 ZINC000343788167 368004837 /nfs/dbraw/zinc/00/48/37/368004837.db2.gz UWLXOJXSWLICTC-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000335522772 212211408 /nfs/dbraw/zinc/21/14/08/212211408.db2.gz ZZJRTDDHANRHFD-HOTGVXAUSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc([S@@](C)=O)cc1 ZINC000358235811 299384473 /nfs/dbraw/zinc/38/44/73/299384473.db2.gz YWYGQWJBRQLRFJ-LVUHPAMQSA-N 2 1 294.464 2.415 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc([S@@](C)=O)cc1 ZINC000358235811 299384476 /nfs/dbraw/zinc/38/44/76/299384476.db2.gz YWYGQWJBRQLRFJ-LVUHPAMQSA-N 2 1 294.464 2.415 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000182646682 368574699 /nfs/dbraw/zinc/57/46/99/368574699.db2.gz NYKSSNPMAQPDNE-CHWSQXEVSA-N 2 1 270.417 2.038 20 0 CEADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)OC)CC1 ZINC000182735482 368584435 /nfs/dbraw/zinc/58/44/35/368584435.db2.gz FUPQGNJCWSAFIE-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP c1cn(CCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000182792242 368591858 /nfs/dbraw/zinc/59/18/58/368591858.db2.gz ITSCDTLREFVNEG-MRXNPFEDSA-N 2 1 276.428 2.224 20 0 CEADMP Cc1cccc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC000184555499 368702299 /nfs/dbraw/zinc/70/22/99/368702299.db2.gz JMMCXWKNLCQTHS-CQSZACIVSA-N 2 1 263.385 2.159 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC(C)(C)O3)CC[C@H]21 ZINC000184663011 368709159 /nfs/dbraw/zinc/70/91/59/368709159.db2.gz WZKDCUCGKRLUED-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCC(C)(C)O3)CC[C@H]21 ZINC000184663011 368709160 /nfs/dbraw/zinc/70/91/60/368709160.db2.gz WZKDCUCGKRLUED-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC(C)(C)O3)CC[C@H]21 ZINC000184663011 368709161 /nfs/dbraw/zinc/70/91/61/368709161.db2.gz WZKDCUCGKRLUED-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP CC/C=C/CC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000184676333 368710861 /nfs/dbraw/zinc/71/08/61/368710861.db2.gz OQILILKIBFOGKN-BDUNBXCCSA-N 2 1 279.472 2.445 20 0 CEADMP CC/C=C/CC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000184676333 368710866 /nfs/dbraw/zinc/71/08/66/368710866.db2.gz OQILILKIBFOGKN-BDUNBXCCSA-N 2 1 279.472 2.445 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000346568372 368721467 /nfs/dbraw/zinc/72/14/67/368721467.db2.gz NQTHSZZBRGZRQG-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP COc1ccc([C@@H](CCO)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000246122245 370912187 /nfs/dbraw/zinc/91/21/87/370912187.db2.gz QSTLSRAYQIQFPT-DOTOQJQBSA-N 2 1 292.423 2.193 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC000358120488 370913376 /nfs/dbraw/zinc/91/33/76/370913376.db2.gz PPMYLBMGOGGAGP-DQPZFDDXSA-N 2 1 282.472 2.495 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC000358120488 370913384 /nfs/dbraw/zinc/91/33/84/370913384.db2.gz PPMYLBMGOGGAGP-DQPZFDDXSA-N 2 1 282.472 2.495 20 0 CEADMP CCC[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358124270 370914162 /nfs/dbraw/zinc/91/41/62/370914162.db2.gz XISGCHODGQGSHD-SJORKVTESA-N 2 1 276.424 2.227 20 0 CEADMP CCC[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358124270 370914165 /nfs/dbraw/zinc/91/41/65/370914165.db2.gz XISGCHODGQGSHD-SJORKVTESA-N 2 1 276.424 2.227 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)s1 ZINC000346662249 368758492 /nfs/dbraw/zinc/75/84/92/368758492.db2.gz WKZYZTFUYVBYIU-VXGBXAGGSA-N 2 1 282.457 2.158 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)s1 ZINC000346662249 368758498 /nfs/dbraw/zinc/75/84/98/368758498.db2.gz WKZYZTFUYVBYIU-VXGBXAGGSA-N 2 1 282.457 2.158 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000346670630 368761713 /nfs/dbraw/zinc/76/17/13/368761713.db2.gz GRQADPNJTXLONW-GDBMZVCRSA-N 2 1 284.407 2.101 20 0 CEADMP CCC1(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)CCOCC1 ZINC000346679884 368765753 /nfs/dbraw/zinc/76/57/53/368765753.db2.gz MHBKDXIBUREKFI-AWEZNQCLSA-N 2 1 256.434 2.498 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1c[nH]nc1-c1cccnc1 ZINC000346681994 368767318 /nfs/dbraw/zinc/76/73/18/368767318.db2.gz OUHASDBBHWRYCB-HNNXBMFYSA-N 2 1 287.411 2.277 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](C)c1ccc(OC)cc1 ZINC000346683552 368767830 /nfs/dbraw/zinc/76/78/30/368767830.db2.gz PABYESGQMQTLBJ-UKRRQHHQSA-N 2 1 262.397 2.483 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](C)c1ccc(OC)cc1 ZINC000346683552 368767837 /nfs/dbraw/zinc/76/78/37/368767837.db2.gz PABYESGQMQTLBJ-UKRRQHHQSA-N 2 1 262.397 2.483 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnc(N(C)C)s1 ZINC000346692698 368774490 /nfs/dbraw/zinc/77/44/90/368774490.db2.gz IJKWEMFMOBCZTQ-LBPRGKRZSA-N 2 1 270.446 2.014 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnc(N(C)C)s1 ZINC000346692698 368774492 /nfs/dbraw/zinc/77/44/92/368774492.db2.gz IJKWEMFMOBCZTQ-LBPRGKRZSA-N 2 1 270.446 2.014 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346642415 368747900 /nfs/dbraw/zinc/74/79/00/368747900.db2.gz MBXAUWKBUIRDRI-RYUDHWBXSA-N 2 1 276.409 2.103 20 0 CEADMP CCC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccnc1 ZINC000185115931 368749790 /nfs/dbraw/zinc/74/97/90/368749790.db2.gz ZQOOMJUSTNYUTG-QGZVFWFLSA-N 2 1 291.439 2.359 20 0 CEADMP COc1cc2c(c(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)c1)O[C@@H](C)C2 ZINC000346650637 368751936 /nfs/dbraw/zinc/75/19/36/368751936.db2.gz PTXIBCJHWIWPJN-XQQFMLRXSA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(c(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)c1)O[C@@H](C)C2 ZINC000346650637 368751943 /nfs/dbraw/zinc/75/19/43/368751943.db2.gz PTXIBCJHWIWPJN-XQQFMLRXSA-N 2 1 290.407 2.188 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)cnc21 ZINC000346651141 368752273 /nfs/dbraw/zinc/75/22/73/368752273.db2.gz GZBOFGYZMNFVPQ-JSGCOSHPSA-N 2 1 287.411 2.181 20 0 CEADMP Cc1nccn1CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934180 368829657 /nfs/dbraw/zinc/82/96/57/368829657.db2.gz QXSKZWAQJVSLBI-HOCLYGCPSA-N 2 1 290.455 2.434 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934180 368829661 /nfs/dbraw/zinc/82/96/61/368829661.db2.gz QXSKZWAQJVSLBI-HOCLYGCPSA-N 3 1 290.455 2.434 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934180 368829664 /nfs/dbraw/zinc/82/96/64/368829664.db2.gz QXSKZWAQJVSLBI-HOCLYGCPSA-N 3 1 290.455 2.434 20 0 CEADMP O[C@]1(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC[N@H+](Cc2ccccc2)C1 ZINC000634712926 368834919 /nfs/dbraw/zinc/83/49/19/368834919.db2.gz OJRLPSMKNLTGDW-MHORFTMASA-N 2 1 286.419 2.012 20 0 CEADMP O[C@]1(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712926 368834922 /nfs/dbraw/zinc/83/49/22/368834922.db2.gz OJRLPSMKNLTGDW-MHORFTMASA-N 2 1 286.419 2.012 20 0 CEADMP C[C@@H]([NH2+]CC(=O)NC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185677560 368842318 /nfs/dbraw/zinc/84/23/18/368842318.db2.gz ONQMADWATACQMA-ZIAGYGMSSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H]([NH2+]CC(=O)NC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185677560 368842320 /nfs/dbraw/zinc/84/23/20/368842320.db2.gz ONQMADWATACQMA-ZIAGYGMSSA-N 2 1 295.471 2.144 20 0 CEADMP CCC1(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCOCC1 ZINC000346830929 368789934 /nfs/dbraw/zinc/78/99/34/368789934.db2.gz PSNLVLJAQBUHBV-RRFJBIMHSA-N 2 1 266.429 2.252 20 0 CEADMP CC1(C)C[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634644442 368793356 /nfs/dbraw/zinc/79/33/56/368793356.db2.gz VJICLWLBBLCJNH-WBVHZDCISA-N 2 1 274.408 2.012 20 0 CEADMP CC1(C)C[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634644442 368793363 /nfs/dbraw/zinc/79/33/63/368793363.db2.gz VJICLWLBBLCJNH-WBVHZDCISA-N 2 1 274.408 2.012 20 0 CEADMP OC[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346978006 368795162 /nfs/dbraw/zinc/79/51/62/368795162.db2.gz ODOHOQZGHPMQEF-AEFFLSMTSA-N 2 1 288.435 2.259 20 0 CEADMP OC[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346978007 368795277 /nfs/dbraw/zinc/79/52/77/368795277.db2.gz ODOHOQZGHPMQEF-FUHWJXTLSA-N 2 1 288.435 2.259 20 0 CEADMP Cc1ccncc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000348055243 368877196 /nfs/dbraw/zinc/87/71/96/368877196.db2.gz ZAICFXBUVAJDGC-GOEBONIOSA-N 2 1 261.413 2.395 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@H]3CCC[NH2+]CC3)c2c1C ZINC000634813622 368902551 /nfs/dbraw/zinc/90/25/51/368902551.db2.gz RPCVYCRYNPODMW-NSHDSACASA-N 2 1 259.357 2.129 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)C(=O)NCC1CCCC1 ZINC000348122278 368907332 /nfs/dbraw/zinc/90/73/32/368907332.db2.gz DAJNNEXWZLRNMK-OAHLLOKOSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)C(=O)NCC1CCCC1 ZINC000348122278 368907334 /nfs/dbraw/zinc/90/73/34/368907334.db2.gz DAJNNEXWZLRNMK-OAHLLOKOSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@](C)(CO)c1ccccc1 ZINC000348256447 368971630 /nfs/dbraw/zinc/97/16/30/368971630.db2.gz NHWCQOVJZWIRQM-JOCBIADPSA-N 2 1 290.451 2.255 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(CCO)CCCCC1 ZINC000348256337 368972124 /nfs/dbraw/zinc/97/21/24/368972124.db2.gz MZZWSLIEBQTHGU-AWEZNQCLSA-N 2 1 254.418 2.146 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC000037874328 296131546 /nfs/dbraw/zinc/13/15/46/296131546.db2.gz CPUYXCKQJJZASO-YHXWVGAOSA-N 2 1 280.456 2.103 20 0 CEADMP CCn1cc(CC[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cn1 ZINC000348313618 368997978 /nfs/dbraw/zinc/99/79/78/368997978.db2.gz AUNPAPDWTWHKBB-GDBMZVCRSA-N 2 1 278.444 2.108 20 0 CEADMP CCn1cc(CC[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cn1 ZINC000348313618 368997982 /nfs/dbraw/zinc/99/79/82/368997982.db2.gz AUNPAPDWTWHKBB-GDBMZVCRSA-N 2 1 278.444 2.108 20 0 CEADMP CCn1cc(CC[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cn1 ZINC000348313618 368997986 /nfs/dbraw/zinc/99/79/86/368997986.db2.gz AUNPAPDWTWHKBB-GDBMZVCRSA-N 2 1 278.444 2.108 20 0 CEADMP CC(C)(C[NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1F ZINC000634995944 369024934 /nfs/dbraw/zinc/02/49/34/369024934.db2.gz UTGBWOQWWISLKY-UHFFFAOYSA-N 2 1 262.372 2.445 20 0 CEADMP c1c2ccccc2oc1CC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995566 369024957 /nfs/dbraw/zinc/02/49/57/369024957.db2.gz IOOMPVMYMWPXTG-UHFFFAOYSA-N 2 1 256.349 2.317 20 0 CEADMP CC[C@@H]1CC[C@H]1Nc1ccc(N2CCN(C)CC2)cn1 ZINC000348388219 369026904 /nfs/dbraw/zinc/02/69/04/369026904.db2.gz ZOQWXRRPKIOJFR-UKRRQHHQSA-N 2 1 274.412 2.434 20 0 CEADMP C[C@H]1C[C@@H](CN2CCC(C)([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000634999250 369033440 /nfs/dbraw/zinc/03/34/40/369033440.db2.gz ROGOQQMWNIQTBN-HOTGVXAUSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnc(C3CC3)s2)C[C@H]1C[NH3+] ZINC000634999540 369034140 /nfs/dbraw/zinc/03/41/40/369034140.db2.gz VYGAUIPMIDNQTM-MWLCHTKSSA-N 2 1 251.399 2.047 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(C3CC3)s2)C[C@H]1C[NH3+] ZINC000634999540 369034144 /nfs/dbraw/zinc/03/41/44/369034144.db2.gz VYGAUIPMIDNQTM-MWLCHTKSSA-N 2 1 251.399 2.047 20 0 CEADMP OCC[NH2+]C1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000635001942 369037010 /nfs/dbraw/zinc/03/70/10/369037010.db2.gz FYNHRIGNRYXPSO-UHFFFAOYSA-N 2 1 274.408 2.110 20 0 CEADMP c1cnc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc2n1 ZINC000634952718 368986687 /nfs/dbraw/zinc/98/66/87/368986687.db2.gz HKHAOBBJLFDSAY-CABCVRRESA-N 2 1 282.391 2.346 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634957797 368991523 /nfs/dbraw/zinc/99/15/23/368991523.db2.gz XUJFRKNTRFOTNE-HNNXBMFYSA-N 2 1 284.407 2.450 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC000635135719 369087542 /nfs/dbraw/zinc/08/75/42/369087542.db2.gz DEYTZKOWXQTAHR-CABCVRRESA-N 2 1 292.427 2.071 20 0 CEADMP C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1c[nH+]ccc1N ZINC000635012847 369051182 /nfs/dbraw/zinc/05/11/82/369051182.db2.gz AFZZAMWGSUCXQH-VIFPVBQESA-N 2 1 299.300 2.060 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)nn1C ZINC000635012912 369052003 /nfs/dbraw/zinc/05/20/03/369052003.db2.gz WZPYAWIBDATYJV-CYBMUJFWSA-N 2 1 284.407 2.225 20 0 CEADMP C[NH+](C)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000635451507 369178339 /nfs/dbraw/zinc/17/83/39/369178339.db2.gz SSTYEIQUUZYLNZ-INIZCTEOSA-N 2 1 289.423 2.066 20 0 CEADMP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)CC(C)(C)C ZINC000635453180 369178534 /nfs/dbraw/zinc/17/85/34/369178534.db2.gz LZJOILJMQJEFDM-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP COC[C@@H](C)C[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000187676338 369199945 /nfs/dbraw/zinc/19/99/45/369199945.db2.gz SUISIHCRNLBFQI-ZFWWWQNUSA-N 2 1 256.434 2.369 20 0 CEADMP CC[NH+](CC)CCCN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000187672497 369199996 /nfs/dbraw/zinc/19/99/96/369199996.db2.gz ADPKZRDQRNOLKB-CABCVRRESA-N 2 1 255.450 2.133 20 0 CEADMP Cc1ccc(NC(=O)C[C@H]2CC[N@@H+](C)C2)c(C[NH+](C)C)c1 ZINC000635565548 369221115 /nfs/dbraw/zinc/22/11/15/369221115.db2.gz DLRNRELBBRGRBP-CQSZACIVSA-N 2 1 289.423 2.337 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCCC[C@H]1C ZINC000349091706 369242287 /nfs/dbraw/zinc/24/22/87/369242287.db2.gz ZJIGZMUMZDLZFJ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000349091706 369242293 /nfs/dbraw/zinc/24/22/93/369242293.db2.gz ZJIGZMUMZDLZFJ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000349091706 369242300 /nfs/dbraw/zinc/24/23/00/369242300.db2.gz ZJIGZMUMZDLZFJ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000349096262 369242887 /nfs/dbraw/zinc/24/28/87/369242887.db2.gz FOLLUFWWWGPIIK-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000188166526 369309966 /nfs/dbraw/zinc/30/99/66/369309966.db2.gz MEBWRXJSKGVPGU-HUUCEWRRSA-N 2 1 256.434 2.227 20 0 CEADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635746206 369319767 /nfs/dbraw/zinc/31/97/67/369319767.db2.gz CGDRMTVMJVTBPI-AWEZNQCLSA-N 2 1 297.487 2.153 20 0 CEADMP CC[NH+](CC)Cc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000188365811 369344873 /nfs/dbraw/zinc/34/48/73/369344873.db2.gz FLKSPTDCZRAHQJ-UHFFFAOYSA-N 2 1 263.385 2.029 20 0 CEADMP CC[NH+](CC)CCOCC[NH2+]Cc1ncc(Cl)s1 ZINC000349653231 369361078 /nfs/dbraw/zinc/36/10/78/369361078.db2.gz GYUHRWJXDYONAK-UHFFFAOYSA-N 2 1 291.848 2.245 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(F)cc3)CC[C@@H]21 ZINC000246395171 370956487 /nfs/dbraw/zinc/95/64/87/370956487.db2.gz BHXCZCYSKMZCBH-HYVNUMGLSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(F)cc3)CC[C@@H]21 ZINC000246395171 370956492 /nfs/dbraw/zinc/95/64/92/370956492.db2.gz BHXCZCYSKMZCBH-HYVNUMGLSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3)CC[C@@H]21 ZINC000246395171 370956497 /nfs/dbraw/zinc/95/64/97/370956497.db2.gz BHXCZCYSKMZCBH-HYVNUMGLSA-N 2 1 292.398 2.275 20 0 CEADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358229203 370962841 /nfs/dbraw/zinc/96/28/41/370962841.db2.gz GCYSDQGROPJVSM-XHSDSOJGSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358229203 370962846 /nfs/dbraw/zinc/96/28/46/370962846.db2.gz GCYSDQGROPJVSM-XHSDSOJGSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000350067028 369497131 /nfs/dbraw/zinc/49/71/31/369497131.db2.gz CQGMXTXTJZTGET-KBAYOESNSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000350067028 369497137 /nfs/dbraw/zinc/49/71/37/369497137.db2.gz CQGMXTXTJZTGET-KBAYOESNSA-N 2 1 288.435 2.402 20 0 CEADMP CO[C@](C)(C[N@H+]1CCC[C@H]([NH+](C)C)CC1)C1CC1 ZINC000639104601 370982302 /nfs/dbraw/zinc/98/23/02/370982302.db2.gz POYVPAZWZAOILU-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H](C1CC1)[NH+](C)CC1(C[N@H+](C)[C@H](C)C2CC2)COC1 ZINC000246646641 370988411 /nfs/dbraw/zinc/98/84/11/370988411.db2.gz ILFKLGBIKQDVJX-ZIAGYGMSSA-N 2 1 280.456 2.464 20 0 CEADMP CCc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)s1 ZINC000358265326 370983247 /nfs/dbraw/zinc/98/32/47/370983247.db2.gz ZPPYEOULGHMWSM-RISCZKNCSA-N 2 1 268.426 2.028 20 0 CEADMP CCc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC000358265326 370983253 /nfs/dbraw/zinc/98/32/53/370983253.db2.gz ZPPYEOULGHMWSM-RISCZKNCSA-N 2 1 268.426 2.028 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000350141486 369514411 /nfs/dbraw/zinc/51/44/11/369514411.db2.gz CSDYIDFHEREBBL-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP Cc1ccc(C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C(C)C)cc1 ZINC000358261882 370980350 /nfs/dbraw/zinc/98/03/50/370980350.db2.gz ZWAFOXGBXGEMJS-MSOLQXFVSA-N 2 1 290.451 2.218 20 0 CEADMP Cc1ccc(C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C(C)C)cc1 ZINC000358261882 370980353 /nfs/dbraw/zinc/98/03/53/370980353.db2.gz ZWAFOXGBXGEMJS-MSOLQXFVSA-N 2 1 290.451 2.218 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(C)c1 ZINC000358263340 370981792 /nfs/dbraw/zinc/98/17/92/370981792.db2.gz XRFQLQNNGXMZSW-GDBMZVCRSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(C)c1 ZINC000358263340 370981794 /nfs/dbraw/zinc/98/17/94/370981794.db2.gz XRFQLQNNGXMZSW-GDBMZVCRSA-N 2 1 262.397 2.021 20 0 CEADMP CCn1nccc1CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000351494384 369636553 /nfs/dbraw/zinc/63/65/53/369636553.db2.gz RCTGSKWUPUEVMV-HNNXBMFYSA-N 2 1 278.444 2.252 20 0 CEADMP CCn1nccc1CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000351494384 369636555 /nfs/dbraw/zinc/63/65/55/369636555.db2.gz RCTGSKWUPUEVMV-HNNXBMFYSA-N 2 1 278.444 2.252 20 0 CEADMP CCn1nccc1CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000351494384 369636558 /nfs/dbraw/zinc/63/65/58/369636558.db2.gz RCTGSKWUPUEVMV-HNNXBMFYSA-N 2 1 278.444 2.252 20 0 CEADMP CCn1nccc1CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000351494384 369636560 /nfs/dbraw/zinc/63/65/60/369636560.db2.gz RCTGSKWUPUEVMV-HNNXBMFYSA-N 2 1 278.444 2.252 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](C(C)(C)C)C1)C1CC1 ZINC000352351435 369684633 /nfs/dbraw/zinc/68/46/33/369684633.db2.gz XWHWUZMRMUUIFF-ZFWWWQNUSA-N 2 1 268.445 2.200 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](C(C)(C)C)C1)C1CC1 ZINC000352351435 369684638 /nfs/dbraw/zinc/68/46/38/369684638.db2.gz XWHWUZMRMUUIFF-ZFWWWQNUSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C)C1)C1CC1 ZINC000352351435 369684642 /nfs/dbraw/zinc/68/46/42/369684642.db2.gz XWHWUZMRMUUIFF-ZFWWWQNUSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](C(C)(C)C)C1)C1CC1 ZINC000352351435 369684645 /nfs/dbraw/zinc/68/46/45/369684645.db2.gz XWHWUZMRMUUIFF-ZFWWWQNUSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](CC)[C@@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC000352383175 369701201 /nfs/dbraw/zinc/70/12/01/369701201.db2.gz UVYOJVNROBGDGW-AWEZNQCLSA-N 2 1 294.443 2.243 20 0 CEADMP CCOC1CC(C[N@@H+](C)CCC[NH+]2CCCC2)C1 ZINC000352394149 369708552 /nfs/dbraw/zinc/70/85/52/369708552.db2.gz JOKNNBUPOKEWDI-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352644950 369818269 /nfs/dbraw/zinc/81/82/69/369818269.db2.gz QWNHKONYXSPPQG-STQMWFEESA-N 2 1 286.370 2.111 20 0 CEADMP Cc1cnn(C)c1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000352730561 369858647 /nfs/dbraw/zinc/85/86/47/369858647.db2.gz FEZKYGPMFMVGCS-LSDHHAIUSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1cnn(C)c1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000352730561 369858652 /nfs/dbraw/zinc/85/86/52/369858652.db2.gz FEZKYGPMFMVGCS-LSDHHAIUSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1cnn(C)c1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000352730559 369859322 /nfs/dbraw/zinc/85/93/22/369859322.db2.gz FEZKYGPMFMVGCS-GJZGRUSLSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1cnn(C)c1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000352730559 369859326 /nfs/dbraw/zinc/85/93/26/369859326.db2.gz FEZKYGPMFMVGCS-GJZGRUSLSA-N 2 1 290.455 2.471 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352743411 369863907 /nfs/dbraw/zinc/86/39/07/369863907.db2.gz UQNDYLQONVXLIW-DGCLKSJQSA-N 2 1 283.441 2.109 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352744184 369865087 /nfs/dbraw/zinc/86/50/87/369865087.db2.gz YYKOWXRJPMVRRG-OCCSQVGLSA-N 2 1 297.468 2.498 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccnn1C ZINC000192898035 369869205 /nfs/dbraw/zinc/86/92/05/369869205.db2.gz RQQUDOMRFPYKNC-LBPRGKRZSA-N 2 1 261.373 2.056 20 0 CEADMP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H]1CCCO1 ZINC000352760324 369870735 /nfs/dbraw/zinc/87/07/35/369870735.db2.gz OKIVBWRECBWEAC-STQMWFEESA-N 2 1 283.441 2.252 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1(C)COC1 ZINC000352765331 369873877 /nfs/dbraw/zinc/87/38/77/369873877.db2.gz MYAIWXOYHWQENX-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]CC1(C)COC1 ZINC000352765331 369873880 /nfs/dbraw/zinc/87/38/80/369873880.db2.gz MYAIWXOYHWQENX-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)c(OC)c2)C1 ZINC000194227571 370016604 /nfs/dbraw/zinc/01/66/04/370016604.db2.gz GCMRWTSTBYNWNB-HNNXBMFYSA-N 2 1 262.397 2.435 20 0 CEADMP CSC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+](C)CC1 ZINC000353649737 370121100 /nfs/dbraw/zinc/12/11/00/370121100.db2.gz OGUKTWAQNCBKSQ-LSDHHAIUSA-N 3 1 297.512 2.030 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C2CCCCCC2)CC[N@H+]1C ZINC000637855090 370122156 /nfs/dbraw/zinc/12/21/56/370122156.db2.gz KJXTVRLUWXGOJV-JKSUJKDBSA-N 2 1 295.471 2.145 20 0 CEADMP C[NH+](C)CC1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000354086832 370211327 /nfs/dbraw/zinc/21/13/27/370211327.db2.gz UOWWJLASNUIXHH-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C)C(C)C ZINC000354145269 370233345 /nfs/dbraw/zinc/23/33/45/370233345.db2.gz AEJLWBPVKWTWLD-SOUVJXGZSA-N 2 1 284.444 2.284 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C)C(C)C ZINC000354145269 370233349 /nfs/dbraw/zinc/23/33/49/370233349.db2.gz AEJLWBPVKWTWLD-SOUVJXGZSA-N 2 1 284.444 2.284 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000354183117 370248931 /nfs/dbraw/zinc/24/89/31/370248931.db2.gz XCMYOZSGRNXONE-ZIAGYGMSSA-N 2 1 284.444 2.286 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000354183117 370248935 /nfs/dbraw/zinc/24/89/35/370248935.db2.gz XCMYOZSGRNXONE-ZIAGYGMSSA-N 2 1 284.444 2.286 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC000637958444 370198958 /nfs/dbraw/zinc/19/89/58/370198958.db2.gz QPJAHKALOKXSDU-UHFFFAOYSA-N 2 1 277.412 2.339 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@](C)(OC)C2CC2)C1 ZINC000638122103 370318632 /nfs/dbraw/zinc/31/86/32/370318632.db2.gz HXRFNYOZYCBMSW-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@H]2CCO2)[C@H](C)C1 ZINC000638114705 370310859 /nfs/dbraw/zinc/31/08/59/370310859.db2.gz XTPKWJFWBJIDHY-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)OC ZINC000638176053 370357900 /nfs/dbraw/zinc/35/79/00/370357900.db2.gz BTDBDKVPAXSQBS-FZKCQIBNSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)OC ZINC000638176053 370357902 /nfs/dbraw/zinc/35/79/02/370357902.db2.gz BTDBDKVPAXSQBS-FZKCQIBNSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)OC ZINC000638176053 370357904 /nfs/dbraw/zinc/35/79/04/370357904.db2.gz BTDBDKVPAXSQBS-FZKCQIBNSA-N 2 1 268.445 2.464 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000354433016 370361396 /nfs/dbraw/zinc/36/13/96/370361396.db2.gz METCXUBCFVUPLP-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CC[C@](C)(C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)OC ZINC000638132753 370325155 /nfs/dbraw/zinc/32/51/55/370325155.db2.gz HQYBUCZOPYFSNE-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@](C)(C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)OC ZINC000638132753 370325162 /nfs/dbraw/zinc/32/51/62/370325162.db2.gz HQYBUCZOPYFSNE-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@](C)(C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)OC ZINC000638132753 370325168 /nfs/dbraw/zinc/32/51/68/370325168.db2.gz HQYBUCZOPYFSNE-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000638303787 370433822 /nfs/dbraw/zinc/43/38/22/370433822.db2.gz VLCIJBORMHTEGP-OWCLPIDISA-N 2 1 295.471 2.288 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(O)c3)CC[C@H]21 ZINC000228183550 370399299 /nfs/dbraw/zinc/39/92/99/370399299.db2.gz TVUBQAKTWMDRJZ-GDBMZVCRSA-N 2 1 260.381 2.308 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(O)c3)CC[C@H]21 ZINC000228183550 370399302 /nfs/dbraw/zinc/39/93/02/370399302.db2.gz TVUBQAKTWMDRJZ-GDBMZVCRSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(O)c3)CC[C@H]21 ZINC000228183550 370399305 /nfs/dbraw/zinc/39/93/05/370399305.db2.gz TVUBQAKTWMDRJZ-GDBMZVCRSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(O)c3)CC[C@H]21 ZINC000228183550 370399310 /nfs/dbraw/zinc/39/93/10/370399310.db2.gz TVUBQAKTWMDRJZ-GDBMZVCRSA-N 2 1 260.381 2.308 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3)C[C@H]21 ZINC000228472965 370403250 /nfs/dbraw/zinc/40/32/50/370403250.db2.gz IMUMXVNOXLDLHL-NUEKZKHPSA-N 2 1 287.407 2.074 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228545774 370406074 /nfs/dbraw/zinc/40/60/74/370406074.db2.gz KTFNSVJDAUYTRN-RRFJBIMHSA-N 2 1 282.428 2.169 20 0 CEADMP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000638280402 370417923 /nfs/dbraw/zinc/41/79/23/370417923.db2.gz FFSUZORRGIHQEK-LSDHHAIUSA-N 2 1 295.471 2.288 20 0 CEADMP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCCNC(=O)C1)CC(C)C ZINC000638351781 370461835 /nfs/dbraw/zinc/46/18/35/370461835.db2.gz GHWWDWILRTXHPN-HUUCEWRRSA-N 2 1 283.460 2.001 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]CC2(C(C)C)CC2)CC1 ZINC000638360322 370469461 /nfs/dbraw/zinc/46/94/61/370469461.db2.gz IABRGPASUATNAU-UHFFFAOYSA-N 2 1 281.488 2.430 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCCc2cnn(C)c2)C1 ZINC000638365185 370475647 /nfs/dbraw/zinc/47/56/47/370475647.db2.gz BQLHDTOHBPOLJL-MRXNPFEDSA-N 2 1 292.471 2.454 20 0 CEADMP CC[C@@H](C)[C@@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)OC ZINC000638557807 370604732 /nfs/dbraw/zinc/60/47/32/370604732.db2.gz SIOLDBREVMZMRE-HZPDHXFCSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]CCCc1cnn(C)c1 ZINC000638579258 370617321 /nfs/dbraw/zinc/61/73/21/370617321.db2.gz NVDYPUVWVWPXFI-GJZGRUSLSA-N 2 1 278.444 2.205 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]CC2CCSCC2)CCCO1 ZINC000639117357 370992709 /nfs/dbraw/zinc/99/27/09/370992709.db2.gz HNRUYWIPRFVLAB-CQSZACIVSA-N 2 1 286.485 2.220 20 0 CEADMP c1cn(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000236758808 370621342 /nfs/dbraw/zinc/62/13/42/370621342.db2.gz IHOVYERWBJZNGG-UHFFFAOYSA-N 2 1 298.434 2.180 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638589114 370622722 /nfs/dbraw/zinc/62/27/22/370622722.db2.gz RORGWMLANBTINK-DLBZAZTESA-N 2 1 287.451 2.444 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000236791305 370628891 /nfs/dbraw/zinc/62/88/91/370628891.db2.gz QINHKIXBZPLVHY-GOEBONIOSA-N 2 1 291.439 2.141 20 0 CEADMP Cc1ccc(CC[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000638618108 370638281 /nfs/dbraw/zinc/63/82/81/370638281.db2.gz DPPVANBPEWFIKA-GOSISDBHSA-N 2 1 290.451 2.364 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000358398960 371049550 /nfs/dbraw/zinc/04/95/50/371049550.db2.gz XQDNBHWLBVSCGX-KBPBESRZSA-N 2 1 283.460 2.142 20 0 CEADMP CC[N@@H+]1C[C@H](NC[C@@H]2CCC[NH+](CC(C)C)C2)[C@@H](C)C1 ZINC000358329041 371015958 /nfs/dbraw/zinc/01/59/58/371015958.db2.gz MYGXZNZRBUMVME-ULQDDVLXSA-N 2 1 281.488 2.284 20 0 CEADMP CC[NH+]1C[C@H](NC[C@@H]2CCC[N@H+](CC(C)C)C2)[C@@H](C)C1 ZINC000358329041 371015960 /nfs/dbraw/zinc/01/59/60/371015960.db2.gz MYGXZNZRBUMVME-ULQDDVLXSA-N 2 1 281.488 2.284 20 0 CEADMP CC[NH+]1C[C@H](NC[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@@H](C)C1 ZINC000358329041 371015962 /nfs/dbraw/zinc/01/59/62/371015962.db2.gz MYGXZNZRBUMVME-ULQDDVLXSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ncccc23)CC[N@H+]1C ZINC000358342047 371023882 /nfs/dbraw/zinc/02/38/82/371023882.db2.gz PFLOXKNPWLNMTB-JSGCOSHPSA-N 2 1 272.396 2.178 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000358344460 371025905 /nfs/dbraw/zinc/02/59/05/371025905.db2.gz JTCSHOZXLBDSDD-IOASZLSFSA-N 2 1 286.423 2.424 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000246893721 371026740 /nfs/dbraw/zinc/02/67/40/371026740.db2.gz HICCBFQHRBPLKT-GUYCJALGSA-N 2 1 289.423 2.465 20 0 CEADMP COCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246964201 371039843 /nfs/dbraw/zinc/03/98/43/371039843.db2.gz VBRMIGGKNCYSIL-HOCLYGCPSA-N 2 1 266.429 2.362 20 0 CEADMP COCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246964201 371039845 /nfs/dbraw/zinc/03/98/45/371039845.db2.gz VBRMIGGKNCYSIL-HOCLYGCPSA-N 2 1 266.429 2.362 20 0 CEADMP COCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246964201 371039848 /nfs/dbraw/zinc/03/98/48/371039848.db2.gz VBRMIGGKNCYSIL-HOCLYGCPSA-N 2 1 266.429 2.362 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247109608 371066465 /nfs/dbraw/zinc/06/64/65/371066465.db2.gz AAQLMPNDHXHGCZ-VGWMRTNUSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247109608 371066472 /nfs/dbraw/zinc/06/64/72/371066472.db2.gz AAQLMPNDHXHGCZ-VGWMRTNUSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247109608 371066475 /nfs/dbraw/zinc/06/64/75/371066475.db2.gz AAQLMPNDHXHGCZ-VGWMRTNUSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247109608 371066481 /nfs/dbraw/zinc/06/64/81/371066481.db2.gz AAQLMPNDHXHGCZ-VGWMRTNUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cn3ccccc3n2)[C@@H](C)C1 ZINC000247154411 371071300 /nfs/dbraw/zinc/07/13/00/371071300.db2.gz TWHJFAJADDBMLU-HOCLYGCPSA-N 2 1 286.423 2.197 20 0 CEADMP O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639240759 371135436 /nfs/dbraw/zinc/13/54/36/371135436.db2.gz YJUPAHYVZOCZOE-CWLKWCNXSA-N 2 1 286.419 2.467 20 0 CEADMP O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639240759 371135440 /nfs/dbraw/zinc/13/54/40/371135440.db2.gz YJUPAHYVZOCZOE-CWLKWCNXSA-N 2 1 286.419 2.467 20 0 CEADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000247520235 371120258 /nfs/dbraw/zinc/12/02/58/371120258.db2.gz WJCPUUNKIFPNGW-PMPSAXMXSA-N 2 1 295.471 2.192 20 0 CEADMP CCC(CC)(C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)SC ZINC000232943537 189819020 /nfs/dbraw/zinc/81/90/20/189819020.db2.gz QQBCXWCHWDLUJI-CHWSQXEVSA-N 2 1 274.474 2.265 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248155869 371164795 /nfs/dbraw/zinc/16/47/95/371164795.db2.gz RJBFJXZHENTSPG-ILXRZTDVSA-N 2 1 256.434 2.246 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCOCC(F)(F)F)CC[C@H]21 ZINC000248217551 371169549 /nfs/dbraw/zinc/16/95/49/371169549.db2.gz ZYNJLPLGNPUZEL-CHWSQXEVSA-N 2 1 294.361 2.372 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCOCC(F)(F)F)CC[C@H]21 ZINC000248217551 371169556 /nfs/dbraw/zinc/16/95/56/371169556.db2.gz ZYNJLPLGNPUZEL-CHWSQXEVSA-N 2 1 294.361 2.372 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCOCC(F)(F)F)CC[C@H]21 ZINC000248217551 371169561 /nfs/dbraw/zinc/16/95/61/371169561.db2.gz ZYNJLPLGNPUZEL-CHWSQXEVSA-N 2 1 294.361 2.372 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358747502 371202652 /nfs/dbraw/zinc/20/26/52/371202652.db2.gz HPXAOVVPMYLBIK-SWLSCSKDSA-N 2 1 287.411 2.228 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358747506 371202877 /nfs/dbraw/zinc/20/28/77/371202877.db2.gz HPXAOVVPMYLBIK-WFASDCNBSA-N 2 1 287.411 2.228 20 0 CEADMP C1=CO[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000248758613 371242636 /nfs/dbraw/zinc/24/26/36/371242636.db2.gz DATMNGJQTFHAJF-HUUCEWRRSA-N 2 1 250.386 2.097 20 0 CEADMP COc1cc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)n1 ZINC000358968929 371286239 /nfs/dbraw/zinc/28/62/39/371286239.db2.gz ANGJZQBGSWILJY-GJZGRUSLSA-N 2 1 289.423 2.423 20 0 CEADMP COc1cc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)n1 ZINC000358968929 371286248 /nfs/dbraw/zinc/28/62/48/371286248.db2.gz ANGJZQBGSWILJY-GJZGRUSLSA-N 2 1 289.423 2.423 20 0 CEADMP CC[N@@H+](CC1CC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000639487652 371356575 /nfs/dbraw/zinc/35/65/75/371356575.db2.gz REWBBVRUHFNTEI-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP CC[N@H+](CC1CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639487652 371356577 /nfs/dbraw/zinc/35/65/77/371356577.db2.gz REWBBVRUHFNTEI-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP CC[N@@H+](CC1CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639487652 371356579 /nfs/dbraw/zinc/35/65/79/371356579.db2.gz REWBBVRUHFNTEI-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP CC[NH+](CC1CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639487652 371356581 /nfs/dbraw/zinc/35/65/81/371356581.db2.gz REWBBVRUHFNTEI-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP CC[NH+](CC1CC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639487652 371356583 /nfs/dbraw/zinc/35/65/83/371356583.db2.gz REWBBVRUHFNTEI-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc[nH]c(=O)c1 ZINC000639500506 371366287 /nfs/dbraw/zinc/36/62/87/371366287.db2.gz NTOOSYAZEUINOR-CQSZACIVSA-N 2 1 263.385 2.093 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc[nH]c(=O)c1 ZINC000639500506 371366294 /nfs/dbraw/zinc/36/62/94/371366294.db2.gz NTOOSYAZEUINOR-CQSZACIVSA-N 2 1 263.385 2.093 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc[nH]c(=O)c1 ZINC000639500506 371366299 /nfs/dbraw/zinc/36/62/99/371366299.db2.gz NTOOSYAZEUINOR-CQSZACIVSA-N 2 1 263.385 2.093 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000249600783 371344598 /nfs/dbraw/zinc/34/45/98/371344598.db2.gz YCXMYQRHDWTPKG-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639474425 371348081 /nfs/dbraw/zinc/34/80/81/371348081.db2.gz UDHQWDQLEYAUIA-GOEBONIOSA-N 2 1 268.445 2.464 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCO[C@@H]2C)[C@@H](C)C1 ZINC000639535078 371390302 /nfs/dbraw/zinc/39/03/02/371390302.db2.gz ZHHHBHQNVDUHEI-XGUBFFRZSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCO[C@@H]2C)[C@@H](C)C1 ZINC000639535078 371390305 /nfs/dbraw/zinc/39/03/05/371390305.db2.gz ZHHHBHQNVDUHEI-XGUBFFRZSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCO[C@@H]2C)[C@@H](C)C1 ZINC000639535078 371390307 /nfs/dbraw/zinc/39/03/07/371390307.db2.gz ZHHHBHQNVDUHEI-XGUBFFRZSA-N 2 1 254.418 2.074 20 0 CEADMP FC(F)(F)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000250974421 371395672 /nfs/dbraw/zinc/39/56/72/371395672.db2.gz ANPCMTUWTQNWNI-WDEREUQCSA-N 2 1 250.308 2.260 20 0 CEADMP FC(F)(F)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000250974421 371395675 /nfs/dbraw/zinc/39/56/75/371395675.db2.gz ANPCMTUWTQNWNI-WDEREUQCSA-N 2 1 250.308 2.260 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639505719 371369332 /nfs/dbraw/zinc/36/93/32/371369332.db2.gz SLHFBZADXXJVEL-HUUCEWRRSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000639504998 371369622 /nfs/dbraw/zinc/36/96/22/371369622.db2.gz PGARCVCTLANILD-KKUMJFAQSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCO[C@H]2C)CC1 ZINC000639509412 371371300 /nfs/dbraw/zinc/37/13/00/371371300.db2.gz BEZPWOYAYQFXMH-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP NC(=O)C[N@@H+](CCC1CCCCC1)CCC1CC[NH2+]CC1 ZINC000359200390 371372065 /nfs/dbraw/zinc/37/20/65/371372065.db2.gz YFTRTVKTNRGYEO-UHFFFAOYSA-N 2 1 295.471 2.134 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639511623 371374384 /nfs/dbraw/zinc/37/43/84/371374384.db2.gz QJOIRFLUELTQEI-KGLIPLIRSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H]1C ZINC000639511131 371375441 /nfs/dbraw/zinc/37/54/41/371375441.db2.gz MWDXRHFTTSHTLI-RYRKJORJSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H]1C ZINC000639511131 371375444 /nfs/dbraw/zinc/37/54/44/371375444.db2.gz MWDXRHFTTSHTLI-RYRKJORJSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000639511131 371375446 /nfs/dbraw/zinc/37/54/46/371375446.db2.gz MWDXRHFTTSHTLI-RYRKJORJSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000639511131 371375449 /nfs/dbraw/zinc/37/54/49/371375449.db2.gz MWDXRHFTTSHTLI-RYRKJORJSA-N 2 1 288.435 2.354 20 0 CEADMP CCn1nc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c2ccccc21 ZINC000250336647 371382263 /nfs/dbraw/zinc/38/22/63/371382263.db2.gz IUYQLQTUJWTCBG-OLZOCXBDSA-N 2 1 272.396 2.225 20 0 CEADMP CCn1nc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c2ccccc21 ZINC000250336647 371382265 /nfs/dbraw/zinc/38/22/65/371382265.db2.gz IUYQLQTUJWTCBG-OLZOCXBDSA-N 2 1 272.396 2.225 20 0 CEADMP CCn1nc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c2ccccc21 ZINC000250336640 371382499 /nfs/dbraw/zinc/38/24/99/371382499.db2.gz IUYQLQTUJWTCBG-CHWSQXEVSA-N 2 1 272.396 2.225 20 0 CEADMP CCn1nc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c2ccccc21 ZINC000250336640 371382503 /nfs/dbraw/zinc/38/25/03/371382503.db2.gz IUYQLQTUJWTCBG-CHWSQXEVSA-N 2 1 272.396 2.225 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC(C)(C)CO1 ZINC000639528198 371385472 /nfs/dbraw/zinc/38/54/72/371385472.db2.gz PMZSSGAXAZVPRT-ILXRZTDVSA-N 2 1 266.429 2.360 20 0 CEADMP O[C@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CC1)C[NH+]1CCCC1 ZINC000359378074 371453811 /nfs/dbraw/zinc/45/38/11/371453811.db2.gz ZXJJKCBPVACGOW-IAGOWNOFSA-N 2 1 292.398 2.323 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000359395508 371460080 /nfs/dbraw/zinc/46/00/80/371460080.db2.gz VOEMFBSUWVNGHF-GJZGRUSLSA-N 2 1 282.815 2.303 20 0 CEADMP Cc1ccc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)c1 ZINC000252667295 371465513 /nfs/dbraw/zinc/46/55/13/371465513.db2.gz IFRXSZICBKYAOH-IRXDYDNUSA-N 2 1 274.408 2.256 20 0 CEADMP Cc1ccc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)c(C)c1 ZINC000252667295 371465515 /nfs/dbraw/zinc/46/55/15/371465515.db2.gz IFRXSZICBKYAOH-IRXDYDNUSA-N 2 1 274.408 2.256 20 0 CEADMP Cc1ncc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000252672685 371466680 /nfs/dbraw/zinc/46/66/80/371466680.db2.gz CCRBKEXTTUJEOJ-NEPJUHHUSA-N 2 1 251.399 2.168 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000252672685 371466683 /nfs/dbraw/zinc/46/66/83/371466683.db2.gz CCRBKEXTTUJEOJ-NEPJUHHUSA-N 2 1 251.399 2.168 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000252672685 371466685 /nfs/dbraw/zinc/46/66/85/371466685.db2.gz CCRBKEXTTUJEOJ-NEPJUHHUSA-N 2 1 251.399 2.168 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252769161 371477021 /nfs/dbraw/zinc/47/70/21/371477021.db2.gz KIXSMXRGOFTEPP-UONOGXRCSA-N 2 1 278.396 2.133 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CN(C)Cc3ccccc32)CC[N@H+]1C ZINC000360062715 371501754 /nfs/dbraw/zinc/50/17/54/371501754.db2.gz WOQYFAYXHCEQND-FRFSOERESA-N 2 1 273.424 2.245 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1C ZINC000360062715 371501757 /nfs/dbraw/zinc/50/17/57/371501757.db2.gz WOQYFAYXHCEQND-FRFSOERESA-N 2 1 273.424 2.245 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1C ZINC000360062715 371501765 /nfs/dbraw/zinc/50/17/65/371501765.db2.gz WOQYFAYXHCEQND-FRFSOERESA-N 2 1 273.424 2.245 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1C ZINC000360062715 371501769 /nfs/dbraw/zinc/50/17/69/371501769.db2.gz WOQYFAYXHCEQND-FRFSOERESA-N 2 1 273.424 2.245 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)C[NH+]1CCCCC1 ZINC000360155184 371507576 /nfs/dbraw/zinc/50/75/76/371507576.db2.gz XMYVEBXUXXAHPP-BZUAXINKSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)C[NH+]1CCCCC1 ZINC000360155184 371507579 /nfs/dbraw/zinc/50/75/79/371507579.db2.gz XMYVEBXUXXAHPP-BZUAXINKSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C[NH+]1CCCCC1 ZINC000360155184 371507582 /nfs/dbraw/zinc/50/75/82/371507582.db2.gz XMYVEBXUXXAHPP-BZUAXINKSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](COC)CC(C)C)C1 ZINC000360241916 371508755 /nfs/dbraw/zinc/50/87/55/371508755.db2.gz MCHPUINLXPRMCN-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP CC[N@@H+]1[C@H](C)CN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC000639741895 371528200 /nfs/dbraw/zinc/52/82/00/371528200.db2.gz HPUQMIYSUZWLDI-VQHPVUNQSA-N 2 1 281.488 2.379 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756496 371546642 /nfs/dbraw/zinc/54/66/42/371546642.db2.gz WEMLPADCAHDDDF-UHFFFAOYSA-N 2 1 263.385 2.209 20 0 CEADMP COC1(CC[N@H+]2CCC3(C2)CC[NH+](C)CC3)CCC1 ZINC000639755826 371547153 /nfs/dbraw/zinc/54/71/53/371547153.db2.gz OBLMIKJWDHHVMN-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP Cc1ccccc1CCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639760305 371549096 /nfs/dbraw/zinc/54/90/96/371549096.db2.gz DUENMTQJTSUMKT-SFHVURJKSA-N 2 1 290.451 2.316 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c(C)c1 ZINC000639760808 371549112 /nfs/dbraw/zinc/54/91/12/371549112.db2.gz ASVXBNGEJFPYSI-KRWDZBQOSA-N 2 1 276.424 2.192 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c(C)c1 ZINC000639760808 371549114 /nfs/dbraw/zinc/54/91/14/371549114.db2.gz ASVXBNGEJFPYSI-KRWDZBQOSA-N 2 1 276.424 2.192 20 0 CEADMP Cc1cc(C)cc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639764467 371552740 /nfs/dbraw/zinc/55/27/40/371552740.db2.gz VQUONIRTNAWRGH-KRWDZBQOSA-N 2 1 276.424 2.192 20 0 CEADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639764467 371552743 /nfs/dbraw/zinc/55/27/43/371552743.db2.gz VQUONIRTNAWRGH-KRWDZBQOSA-N 2 1 276.424 2.192 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000639766816 371555488 /nfs/dbraw/zinc/55/54/88/371555488.db2.gz OZURENNGENTKKN-BZSNNMDCSA-N 2 1 288.435 2.179 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CCCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000639684159 371493182 /nfs/dbraw/zinc/49/31/82/371493182.db2.gz SFVHKPVJHKDMJE-GDBMZVCRSA-N 2 1 275.396 2.161 20 0 CEADMP Fc1cnccc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684506 371495411 /nfs/dbraw/zinc/49/54/11/371495411.db2.gz VYKSYVOMXUFLPF-UHFFFAOYSA-N 2 1 286.354 2.328 20 0 CEADMP CCCNC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000360954220 371559594 /nfs/dbraw/zinc/55/95/94/371559594.db2.gz FTMVHUMXSTUKBD-XHSDSOJGSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000261554106 371642934 /nfs/dbraw/zinc/64/29/34/371642934.db2.gz ARVIMHBDEIHZPI-CQSZACIVSA-N 2 1 268.788 2.390 20 0 CEADMP C[C@H](NC[C@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261554809 371645662 /nfs/dbraw/zinc/64/56/62/371645662.db2.gz UQIQINJEWGSLJK-RYQLBKOJSA-N 2 1 287.451 2.239 20 0 CEADMP c1c2ccccc2oc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261581182 371661060 /nfs/dbraw/zinc/66/10/60/371661060.db2.gz FWXMTTAOGNBQQS-KGLIPLIRSA-N 2 1 256.349 2.474 20 0 CEADMP c1c2ccccc2oc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261581182 371661065 /nfs/dbraw/zinc/66/10/65/371661065.db2.gz FWXMTTAOGNBQQS-KGLIPLIRSA-N 2 1 256.349 2.474 20 0 CEADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cncc(Br)c1 ZINC000261584809 371662550 /nfs/dbraw/zinc/66/25/50/371662550.db2.gz QAQKALDCWJUOHK-LBPRGKRZSA-N 2 1 286.217 2.307 20 0 CEADMP CC1([NH+]2CCCC2)CC[NH+]([C@H]2CCCOC2)CC1 ZINC000639982593 371710781 /nfs/dbraw/zinc/71/07/81/371710781.db2.gz RMMNVWCAUDDWEV-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261762819 371723388 /nfs/dbraw/zinc/72/33/88/371723388.db2.gz NWAVGAYUFCOGPE-CJNGLKHVSA-N 2 1 293.842 2.381 20 0 CEADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261762629 371723718 /nfs/dbraw/zinc/72/37/18/371723718.db2.gz DANVHGWKIZPLOA-IYBDPMFKSA-N 2 1 296.418 2.047 20 0 CEADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H]1CCOC1 ZINC000361229058 371726866 /nfs/dbraw/zinc/72/68/66/371726866.db2.gz PLWFZCGUODQVDJ-INIZCTEOSA-N 2 1 286.379 2.187 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000361243985 371736697 /nfs/dbraw/zinc/73/66/97/371736697.db2.gz LJMRZRCADBZVCU-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)s1 ZINC000261653567 371693864 /nfs/dbraw/zinc/69/38/64/371693864.db2.gz FIHUIUTWZOIAMT-CQSZACIVSA-N 2 1 282.457 2.160 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2CC[C@](C)(C[NH3+])C2)s1 ZINC000261653567 371693874 /nfs/dbraw/zinc/69/38/74/371693874.db2.gz FIHUIUTWZOIAMT-CQSZACIVSA-N 2 1 282.457 2.160 20 0 CEADMP COCCNc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000361183746 371703376 /nfs/dbraw/zinc/70/33/76/371703376.db2.gz CBRMTSWGYCKIOD-WMLDXEAASA-N 2 1 291.439 2.175 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCO[C@@H]2CCCCO2)C1 ZINC000361267080 371750667 /nfs/dbraw/zinc/75/06/67/371750667.db2.gz QHQMIRUXXFMOFK-JKSUJKDBSA-N 2 1 284.444 2.193 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCO[C@@H]2CCCCO2)C1 ZINC000361267080 371750671 /nfs/dbraw/zinc/75/06/71/371750671.db2.gz QHQMIRUXXFMOFK-JKSUJKDBSA-N 2 1 284.444 2.193 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCO[C@@H]2CCCCO2)C1 ZINC000361267080 371750675 /nfs/dbraw/zinc/75/06/75/371750675.db2.gz QHQMIRUXXFMOFK-JKSUJKDBSA-N 2 1 284.444 2.193 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000261923875 371772658 /nfs/dbraw/zinc/77/26/58/371772658.db2.gz YZSIUDVFWMOPDR-AWEZNQCLSA-N 2 1 276.409 2.105 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000261985009 371790576 /nfs/dbraw/zinc/79/05/76/371790576.db2.gz RSWQMCQXXSKDFL-ZBFHGGJFSA-N 2 1 290.455 2.485 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262182702 371835636 /nfs/dbraw/zinc/83/56/36/371835636.db2.gz WWYHQGMYOXEMLR-QGZVFWFLSA-N 2 1 274.408 2.368 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262182702 371835640 /nfs/dbraw/zinc/83/56/40/371835640.db2.gz WWYHQGMYOXEMLR-QGZVFWFLSA-N 2 1 274.408 2.368 20 0 CEADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000262122649 371827821 /nfs/dbraw/zinc/82/78/21/371827821.db2.gz KLLJFXQTJNEJEC-RRFJBIMHSA-N 2 1 283.460 2.131 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000361528010 371898598 /nfs/dbraw/zinc/89/85/98/371898598.db2.gz UMGDAPWPNZXRSD-RRFJBIMHSA-N 2 1 269.477 2.283 20 0 CEADMP CCN1C[C@H](C)[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000361528010 371898605 /nfs/dbraw/zinc/89/86/05/371898605.db2.gz UMGDAPWPNZXRSD-RRFJBIMHSA-N 2 1 269.477 2.283 20 0 CEADMP C[C@H](CNC(=O)CCC1CC[NH2+]CC1)[N@H+]1CCCC[C@H]1C ZINC000262737806 371904840 /nfs/dbraw/zinc/90/48/40/371904840.db2.gz CJAMYFUZWKMKAG-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[N@H+](CC)CCNC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000640605183 372059929 /nfs/dbraw/zinc/05/99/29/372059929.db2.gz VTHDVRBYPLTCON-UHFFFAOYSA-N 2 1 293.415 2.001 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000640605183 372059937 /nfs/dbraw/zinc/05/99/37/372059937.db2.gz VTHDVRBYPLTCON-UHFFFAOYSA-N 2 1 293.415 2.001 20 0 CEADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc[nH]n1 ZINC000640535013 372023459 /nfs/dbraw/zinc/02/34/59/372023459.db2.gz YKOYHLWFUIHBRD-UHFFFAOYSA-N 2 1 250.390 2.108 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc[nH]n1 ZINC000640535013 372023465 /nfs/dbraw/zinc/02/34/65/372023465.db2.gz YKOYHLWFUIHBRD-UHFFFAOYSA-N 2 1 250.390 2.108 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccnc(N)c1 ZINC000640533129 372024496 /nfs/dbraw/zinc/02/44/96/372024496.db2.gz NEQOHEWTIKRULC-UHFFFAOYSA-N 2 1 276.428 2.192 20 0 CEADMP CCC[N@@H+](CCSCC)CCN1CC[NH+](CC)CC1 ZINC000344152508 217077969 /nfs/dbraw/zinc/07/79/69/217077969.db2.gz UISDYHSOZLUCRG-UHFFFAOYSA-N 2 1 287.517 2.089 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344221606 217104787 /nfs/dbraw/zinc/10/47/87/217104787.db2.gz YZVVFCGPVROSBG-XJKSGUPXSA-N 2 1 299.422 2.148 20 0 CEADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000344203478 217097123 /nfs/dbraw/zinc/09/71/23/217097123.db2.gz OZJMAOCQCXMTMQ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000268786122 372221921 /nfs/dbraw/zinc/22/19/21/372221921.db2.gz ZWUSEVJODCXHNF-MPTQWLOMSA-N 2 1 280.387 2.177 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2c(c1)COC2 ZINC000268722883 372195212 /nfs/dbraw/zinc/19/52/12/372195212.db2.gz JMVNZFBQIBIDBC-LBPRGKRZSA-N 2 1 260.381 2.462 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000362179868 372258357 /nfs/dbraw/zinc/25/83/57/372258357.db2.gz OPTPIKCGQHTPAP-LSDHHAIUSA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000362179868 372258363 /nfs/dbraw/zinc/25/83/63/372258363.db2.gz OPTPIKCGQHTPAP-LSDHHAIUSA-N 2 1 263.385 2.225 20 0 CEADMP C[C@H](O)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268862282 372260598 /nfs/dbraw/zinc/26/05/98/372260598.db2.gz GNYDPGQTFAYELW-AWEZNQCLSA-N 2 1 294.414 2.193 20 0 CEADMP COc1ccnc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000362189004 372262400 /nfs/dbraw/zinc/26/24/00/372262400.db2.gz UJSMCXYFJRZRFK-GXTWGEPZSA-N 2 1 263.385 2.005 20 0 CEADMP Cc1cc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(C)n1 ZINC000269037297 372321441 /nfs/dbraw/zinc/32/14/41/372321441.db2.gz KZZMPHJWGUTTKS-OKILXGFUSA-N 2 1 292.427 2.395 20 0 CEADMP Cc1cc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC000269037297 372321444 /nfs/dbraw/zinc/32/14/44/372321444.db2.gz KZZMPHJWGUTTKS-OKILXGFUSA-N 2 1 292.427 2.395 20 0 CEADMP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000362566087 372429923 /nfs/dbraw/zinc/42/99/23/372429923.db2.gz FNFUBHNNOUAVKM-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccncc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000269621788 372507404 /nfs/dbraw/zinc/50/74/04/372507404.db2.gz NSXIABZFDGQMSM-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000363067654 372622142 /nfs/dbraw/zinc/62/21/42/372622142.db2.gz NYIXZYBQMSSXOT-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCC[NH+]1CCCC1 ZINC000363448419 372637069 /nfs/dbraw/zinc/63/70/69/372637069.db2.gz FZHDWXICALMSHS-JKSUJKDBSA-N 2 1 265.445 2.031 20 0 CEADMP C[N@H+](CCC[NH2+]Cc1ccncc1N)C1CCCCC1 ZINC000641705620 372640696 /nfs/dbraw/zinc/64/06/96/372640696.db2.gz RYOZTNCPAMRQKF-UHFFFAOYSA-N 2 1 276.428 2.408 20 0 CEADMP C[N@@H+](CCC[NH2+]Cc1ccncc1N)C1CCCCC1 ZINC000641705620 372640701 /nfs/dbraw/zinc/64/07/01/372640701.db2.gz RYOZTNCPAMRQKF-UHFFFAOYSA-N 2 1 276.428 2.408 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)O1 ZINC000363702061 372645780 /nfs/dbraw/zinc/64/57/80/372645780.db2.gz XFRXTTCMDPFRFK-QWHCGFSZSA-N 2 1 277.412 2.381 20 0 CEADMP O[C@@]1(C[NH2+]Cc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000344522720 217219963 /nfs/dbraw/zinc/21/99/63/217219963.db2.gz HXBWSDMTNPHPCE-LJQANCHMSA-N 2 1 296.414 2.413 20 0 CEADMP O[C@@]1(C[NH2+]Cc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344522720 217219966 /nfs/dbraw/zinc/21/99/66/217219966.db2.gz HXBWSDMTNPHPCE-LJQANCHMSA-N 2 1 296.414 2.413 20 0 CEADMP COC[C@H]1CCCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000364126016 372672537 /nfs/dbraw/zinc/67/25/37/372672537.db2.gz KXEZASSVVXXSJE-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP C[C@H](CC[NH2+]Cc1ccncc1N)[NH+]1CCCCC1 ZINC000641748036 372682950 /nfs/dbraw/zinc/68/29/50/372682950.db2.gz SQASHOLGNHYPRK-CYBMUJFWSA-N 2 1 262.401 2.018 20 0 CEADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000364343559 372732871 /nfs/dbraw/zinc/73/28/71/372732871.db2.gz OSUMFZSWCNHOOT-OWCLPIDISA-N 2 1 266.429 2.432 20 0 CEADMP CC1(C)[C@H]([NH2+]Cc2ncccc2C(F)(F)F)C[C@@H]1[NH3+] ZINC000641801290 372744287 /nfs/dbraw/zinc/74/42/87/372744287.db2.gz OYKNWKPHZBWEPD-WDEREUQCSA-N 2 1 273.302 2.316 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c1C ZINC000641802265 372745445 /nfs/dbraw/zinc/74/54/45/372745445.db2.gz IPADDIJFBPLLFF-CFVMTHIKSA-N 2 1 289.423 2.346 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)sn1 ZINC000641817975 372765085 /nfs/dbraw/zinc/76/50/85/372765085.db2.gz AQELXRAYHFCVLM-ZDUSSCGKSA-N 2 1 265.426 2.355 20 0 CEADMP CCc1cccc(C)c1NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641804792 372749482 /nfs/dbraw/zinc/74/94/82/372749482.db2.gz JTTSXZAAHMWCOL-ZIAGYGMSSA-N 2 1 289.423 2.211 20 0 CEADMP CCCCN(CCCC)C(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641809326 372756846 /nfs/dbraw/zinc/75/68/46/372756846.db2.gz WCXSFULIVNTUSD-ZIAGYGMSSA-N 2 1 283.460 2.131 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000353442583 220086962 /nfs/dbraw/zinc/08/69/62/220086962.db2.gz SHRUFBYBZZUOAK-KBPBESRZSA-N 2 1 283.460 2.131 20 0 CEADMP CC(C)C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)[NH+](C)C ZINC000353442009 220085527 /nfs/dbraw/zinc/08/55/27/220085527.db2.gz CNGUPQYPMCMMTB-TWMKSMIVSA-N 2 1 281.488 2.425 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cn3ccccc3n2)[C@@H]2CCC[C@@H]21 ZINC000353452276 220091508 /nfs/dbraw/zinc/09/15/08/220091508.db2.gz ZNAWKXMSYJXQLT-JYJNAYRXSA-N 2 1 284.407 2.297 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn3ccccc3n2)[C@@H]2CCC[C@@H]21 ZINC000353452276 220091512 /nfs/dbraw/zinc/09/15/12/220091512.db2.gz ZNAWKXMSYJXQLT-JYJNAYRXSA-N 2 1 284.407 2.297 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000270598438 372860340 /nfs/dbraw/zinc/86/03/40/372860340.db2.gz GLPNVOBARACBIU-INIZCTEOSA-N 2 1 291.370 2.386 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000270598438 372860349 /nfs/dbraw/zinc/86/03/49/372860349.db2.gz GLPNVOBARACBIU-INIZCTEOSA-N 2 1 291.370 2.386 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@@H]3CCC[NH2+][C@H]3C)CC2)n1 ZINC000333340526 205233108 /nfs/dbraw/zinc/23/31/08/205233108.db2.gz XYLGYOHXQCMROL-KWCMIHLGSA-N 2 1 278.400 2.134 20 0 CEADMP Brc1c[nH+]ccc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643031126 372923131 /nfs/dbraw/zinc/92/31/31/372923131.db2.gz HQJAZCZCAPPNKS-MWLCHTKSSA-N 2 1 282.185 2.032 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCSCCOC ZINC000365817319 372943497 /nfs/dbraw/zinc/94/34/97/372943497.db2.gz AKKOPGCFHNUXLN-CABCVRRESA-N 2 1 286.485 2.315 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270913623 373014665 /nfs/dbraw/zinc/01/46/65/373014665.db2.gz TXJWLTYWUDXCLJ-UHFFFAOYSA-N 2 1 259.275 2.386 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270913623 373014668 /nfs/dbraw/zinc/01/46/68/373014668.db2.gz TXJWLTYWUDXCLJ-UHFFFAOYSA-N 2 1 259.275 2.386 20 0 CEADMP COCC1(C[N@@H+](C)C[C@H]2CCn3ccnc3C2)CCC1 ZINC000643378767 373101213 /nfs/dbraw/zinc/10/12/13/373101213.db2.gz KRZMTHOVNRJXEP-AWEZNQCLSA-N 2 1 277.412 2.194 20 0 CEADMP COCC1(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000643378767 373101220 /nfs/dbraw/zinc/10/12/20/373101220.db2.gz KRZMTHOVNRJXEP-AWEZNQCLSA-N 2 1 277.412 2.194 20 0 CEADMP COCC1(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000643378767 373101227 /nfs/dbraw/zinc/10/12/27/373101227.db2.gz KRZMTHOVNRJXEP-AWEZNQCLSA-N 2 1 277.412 2.194 20 0 CEADMP CC(C)CC[C@@H](O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000366495412 373071365 /nfs/dbraw/zinc/07/13/65/373071365.db2.gz SJWFFMALNOVBRX-MRXNPFEDSA-N 2 1 293.455 2.472 20 0 CEADMP c1[nH]nc2c1[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC000367598370 373165420 /nfs/dbraw/zinc/16/54/20/373165420.db2.gz QPWRNNDHIWWZCG-HNNXBMFYSA-N 2 1 274.412 2.251 20 0 CEADMP C[C@H]1C[C@@H](NCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000643506862 373166579 /nfs/dbraw/zinc/16/65/79/373166579.db2.gz KNKSXAWSZXRFLW-YJBOKZPZSA-N 2 1 287.451 2.381 20 0 CEADMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367607772 373168393 /nfs/dbraw/zinc/16/83/93/373168393.db2.gz OZBYZJAZOAENCC-ZACQAIPSSA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)c1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])on1 ZINC000643455268 373125919 /nfs/dbraw/zinc/12/59/19/373125919.db2.gz SSDCUSYLXVPMIM-WCQYABFASA-N 2 1 251.374 2.405 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)O1 ZINC000366903309 373128864 /nfs/dbraw/zinc/12/88/64/373128864.db2.gz OJJQYLCZXAHTOO-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@H]1CCCO1)CC2)C1CC1 ZINC000367209583 373144086 /nfs/dbraw/zinc/14/40/86/373144086.db2.gz SBFDOJIKKBAXCW-GDBMZVCRSA-N 2 1 278.440 2.362 20 0 CEADMP c1c[nH]c([C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)c2ccccc2)n1 ZINC000643535074 373191593 /nfs/dbraw/zinc/19/15/93/373191593.db2.gz IPLHGFZLKHUFDR-GJZGRUSLSA-N 2 1 282.391 2.231 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]CCCn1cc[nH+]c1C ZINC000272048086 373279894 /nfs/dbraw/zinc/27/98/94/373279894.db2.gz PRVHECPCTRSVKF-UHFFFAOYSA-N 2 1 286.379 2.330 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353595370 220182356 /nfs/dbraw/zinc/18/23/56/220182356.db2.gz JSYVDDJEZFEFBX-LALPHHSUSA-N 2 1 272.396 2.381 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353595370 220182360 /nfs/dbraw/zinc/18/23/60/220182360.db2.gz JSYVDDJEZFEFBX-LALPHHSUSA-N 2 1 272.396 2.381 20 0 CEADMP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)Nc1ccccc1 ZINC000644521980 373508606 /nfs/dbraw/zinc/50/86/06/373508606.db2.gz MKWOCPMOUYJNOR-HZPDHXFCSA-N 2 1 287.407 2.232 20 0 CEADMP O=C(CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)Nc1ccccc1 ZINC000644521980 373508613 /nfs/dbraw/zinc/50/86/13/373508613.db2.gz MKWOCPMOUYJNOR-HZPDHXFCSA-N 2 1 287.407 2.232 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)C[NH+](C)C ZINC000644555386 373529673 /nfs/dbraw/zinc/52/96/73/373529673.db2.gz ZQAUIZMUFIPXGQ-MNOVXSKESA-N 2 1 277.368 2.382 20 0 CEADMP CC(C)O[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000644659420 373588417 /nfs/dbraw/zinc/58/84/17/373588417.db2.gz MJTIUPTYXLCVBU-BBWFWOEESA-N 2 1 274.408 2.304 20 0 CEADMP Cc1ccc([C@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000644571583 373537286 /nfs/dbraw/zinc/53/72/86/373537286.db2.gz GWSVLHITKJLVDY-RHSMWYFYSA-N 2 1 276.424 2.143 20 0 CEADMP Cc1ccc([C@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000644571583 373537295 /nfs/dbraw/zinc/53/72/95/373537295.db2.gz GWSVLHITKJLVDY-RHSMWYFYSA-N 2 1 276.424 2.143 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000644600415 373552552 /nfs/dbraw/zinc/55/25/52/373552552.db2.gz PRUFWFABEPIREN-HUUCEWRRSA-N 2 1 298.377 2.257 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000644600415 373552558 /nfs/dbraw/zinc/55/25/58/373552558.db2.gz PRUFWFABEPIREN-HUUCEWRRSA-N 2 1 298.377 2.257 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000370058919 373568259 /nfs/dbraw/zinc/56/82/59/373568259.db2.gz CNWLTUHBCIHYBP-UHFFFAOYSA-N 2 1 284.444 2.036 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(CCO)CCCC1 ZINC000273600953 373767012 /nfs/dbraw/zinc/76/70/12/373767012.db2.gz LXLHDOMEDVLXGM-UHFFFAOYSA-N 2 1 277.412 2.180 20 0 CEADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCn3ccnc3)C2)c1 ZINC000371206109 373813531 /nfs/dbraw/zinc/81/35/31/373813531.db2.gz XEJCRHBEGCOXCO-OAHLLOKOSA-N 2 1 285.395 2.021 20 0 CEADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCn3ccnc3)C2)c1 ZINC000371206109 373813532 /nfs/dbraw/zinc/81/35/32/373813532.db2.gz XEJCRHBEGCOXCO-OAHLLOKOSA-N 2 1 285.395 2.021 20 0 CEADMP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371304159 373836396 /nfs/dbraw/zinc/83/63/96/373836396.db2.gz ROUGAJZFOREVLZ-JKSUJKDBSA-N 2 1 281.488 2.380 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371303714 373837546 /nfs/dbraw/zinc/83/75/46/373837546.db2.gz FXJKJHMRATYLRK-SFHVURJKSA-N 2 1 287.451 2.287 20 0 CEADMP C[N@H+](C/C=C/c1ccccc1)CCCN1CC[NH+](C)CC1 ZINC000289537883 197394982 /nfs/dbraw/zinc/39/49/82/197394982.db2.gz WNQKISOORTXABV-UXBLZVDNSA-N 2 1 287.451 2.269 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000274652201 374000177 /nfs/dbraw/zinc/00/01/77/374000177.db2.gz CFKWMNHEMMPOLG-LLVKDONJSA-N 2 1 278.400 2.253 20 0 CEADMP Cc1cc(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nc(C)n1 ZINC000645372438 374015143 /nfs/dbraw/zinc/01/51/43/374015143.db2.gz VHHLENYYSHWGEC-SJORKVTESA-N 2 1 296.418 2.273 20 0 CEADMP Cc1cc(NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)nc(C)[nH+]1 ZINC000645372438 374015151 /nfs/dbraw/zinc/01/51/51/374015151.db2.gz VHHLENYYSHWGEC-SJORKVTESA-N 2 1 296.418 2.273 20 0 CEADMP Cc1cc(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nc(C)[nH+]1 ZINC000645372438 374015157 /nfs/dbraw/zinc/01/51/57/374015157.db2.gz VHHLENYYSHWGEC-SJORKVTESA-N 2 1 296.418 2.273 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCCCn2cccn2)CC1 ZINC000372964502 374231406 /nfs/dbraw/zinc/23/14/06/374231406.db2.gz ZBPSECFSPGOTNY-INIZCTEOSA-N 2 1 278.444 2.470 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645810853 374198099 /nfs/dbraw/zinc/19/80/99/374198099.db2.gz CJRXORWHUQOMHQ-CVEARBPZSA-N 2 1 268.445 2.467 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000373032866 374247730 /nfs/dbraw/zinc/24/77/30/374247730.db2.gz DIUKWMOUQOLEQK-AWEZNQCLSA-N 2 1 292.471 2.461 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000373032866 374247734 /nfs/dbraw/zinc/24/77/34/374247734.db2.gz DIUKWMOUQOLEQK-AWEZNQCLSA-N 2 1 292.471 2.461 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H](CCO)c1ccccc1 ZINC000276897234 374337604 /nfs/dbraw/zinc/33/76/04/374337604.db2.gz LCQCGHNSIPFISZ-INIZCTEOSA-N 2 1 264.413 2.432 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000684110204 541927294 /nfs/dbraw/zinc/92/72/94/541927294.db2.gz QDAPNCMVHZBGJQ-OAHLLOKOSA-N 2 1 284.407 2.304 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000684110204 541927297 /nfs/dbraw/zinc/92/72/97/541927297.db2.gz QDAPNCMVHZBGJQ-OAHLLOKOSA-N 2 1 284.407 2.304 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)CC1 ZINC000277092242 374401089 /nfs/dbraw/zinc/40/10/89/374401089.db2.gz FZRADYWTJXCLMX-INIZCTEOSA-N 2 1 289.423 2.431 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)Cc2ccccc2)CC1 ZINC000277184244 374430655 /nfs/dbraw/zinc/43/06/55/374430655.db2.gz LJTVNBMLKKXPHB-IAGOWNOFSA-N 2 1 276.424 2.006 20 0 CEADMP COC[C@H](C)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374313016 374540261 /nfs/dbraw/zinc/54/02/61/374540261.db2.gz SUDMBSQDFPVKAT-KBPBESRZSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000277531570 374555818 /nfs/dbraw/zinc/55/58/18/374555818.db2.gz PWWHHENMDDNMGM-MRXNPFEDSA-N 2 1 299.422 2.388 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000277531570 374555821 /nfs/dbraw/zinc/55/58/21/374555821.db2.gz PWWHHENMDDNMGM-MRXNPFEDSA-N 2 1 299.422 2.388 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000374419437 374569350 /nfs/dbraw/zinc/56/93/50/374569350.db2.gz HIXUZDMPRYBOQQ-BRWVUGGUSA-N 2 1 274.408 2.370 20 0 CEADMP CO[C@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000684370681 541986169 /nfs/dbraw/zinc/98/61/69/541986169.db2.gz GKQYBBMGJVRDHT-KBPBESRZSA-N 2 1 251.374 2.129 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H]3CCCC[C@H]32)CC1 ZINC000377720340 374933959 /nfs/dbraw/zinc/93/39/59/374933959.db2.gz LLVXFBDIJQVTML-IAGOWNOFSA-N 2 1 279.472 2.277 20 0 CEADMP Cc1nccn1-c1cccc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)n1 ZINC000377976197 374990794 /nfs/dbraw/zinc/99/07/94/374990794.db2.gz ILRFTWRCTOEHBG-OCCSQVGLSA-N 2 1 297.406 2.035 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1 ZINC000377976197 374990798 /nfs/dbraw/zinc/99/07/98/374990798.db2.gz ILRFTWRCTOEHBG-OCCSQVGLSA-N 2 1 297.406 2.035 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)n1 ZINC000377976197 374990805 /nfs/dbraw/zinc/99/08/05/374990805.db2.gz ILRFTWRCTOEHBG-OCCSQVGLSA-N 2 1 297.406 2.035 20 0 CEADMP Fc1ccccc1OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380789497 375166072 /nfs/dbraw/zinc/16/60/72/375166072.db2.gz UWRXHCVNJGXIFO-OKILXGFUSA-N 2 1 278.371 2.136 20 0 CEADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000382865579 375193585 /nfs/dbraw/zinc/19/35/85/375193585.db2.gz GPCPAWYYBIUMCX-MJBXVCDLSA-N 2 1 299.459 2.220 20 0 CEADMP CC[C@H](C)[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000387362808 375276360 /nfs/dbraw/zinc/27/63/60/375276360.db2.gz KNFUNDNOVYPTQH-INIZCTEOSA-N 2 1 275.440 2.192 20 0 CEADMP C[C@@H]1CCC[C@H](CC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000388419343 375290601 /nfs/dbraw/zinc/29/06/01/375290601.db2.gz NBWHNPGUPNRFBR-FMKPAKJESA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1CCC[C@H](CC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000388419343 375290607 /nfs/dbraw/zinc/29/06/07/375290607.db2.gz NBWHNPGUPNRFBR-FMKPAKJESA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000389857767 375307831 /nfs/dbraw/zinc/30/78/31/375307831.db2.gz CLBXZHIDFUHUHO-BPQIPLTHSA-N 2 1 287.451 2.096 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000389857767 375307841 /nfs/dbraw/zinc/30/78/41/375307841.db2.gz CLBXZHIDFUHUHO-BPQIPLTHSA-N 2 1 287.451 2.096 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000386475922 375260321 /nfs/dbraw/zinc/26/03/21/375260321.db2.gz RHUBJUGRJJYLEM-GRYCIOLGSA-N 2 1 253.415 2.367 20 0 CEADMP COc1ccccc1CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386584005 375262495 /nfs/dbraw/zinc/26/24/95/375262495.db2.gz POVYDSLFXBKMAK-DZGCQCFKSA-N 2 1 262.397 2.358 20 0 CEADMP C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000386579435 375262833 /nfs/dbraw/zinc/26/28/33/375262833.db2.gz OEKBXXRSNMUARU-JYJNAYRXSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000386602369 375263745 /nfs/dbraw/zinc/26/37/45/375263745.db2.gz VANNWJFNORPDPT-IUODEOHRSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@H]1C[C@@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000399115047 375359471 /nfs/dbraw/zinc/35/94/71/375359471.db2.gz FSEQNFKUMZTNKF-MXSMSXNCSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399192991 375360940 /nfs/dbraw/zinc/36/09/40/375360940.db2.gz QXHMFUNKKOMNKY-TYNCELHUSA-N 2 1 250.361 2.487 20 0 CEADMP Cc1cc(C)cc([C@@H](O)C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000282941460 375620986 /nfs/dbraw/zinc/62/09/86/375620986.db2.gz ISQZCIGYOJFLOU-INIZCTEOSA-N 2 1 262.397 2.021 20 0 CEADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000414213360 375802437 /nfs/dbraw/zinc/80/24/37/375802437.db2.gz ULKQQKYXJWXVDG-YJNKXOJESA-N 2 1 254.418 2.121 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](C/C=C\c2ccccc2)CC12CCOCC2 ZINC000414776366 375962195 /nfs/dbraw/zinc/96/21/95/375962195.db2.gz HDDZKXRZDOMAQS-IMXKFXGHSA-N 2 1 286.419 2.387 20 0 CEADMP FC(F)(F)COc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000414784387 375966892 /nfs/dbraw/zinc/96/68/92/375966892.db2.gz HYADJFJSVNOQQB-UHFFFAOYSA-N 2 1 288.313 2.469 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414794779 375977734 /nfs/dbraw/zinc/97/77/34/375977734.db2.gz MDVPPEXUUNKJFQ-USXIJHARSA-N 2 1 275.440 2.395 20 0 CEADMP Cc1cc(C[N@H+](CCC[NH3+])CC2CCCC2)nn1C ZINC000414794371 375978434 /nfs/dbraw/zinc/97/84/34/375978434.db2.gz SXFNQFBFVDSIPS-UHFFFAOYSA-N 2 1 264.417 2.070 20 0 CEADMP Cc1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)nn1C ZINC000414794371 375978441 /nfs/dbraw/zinc/97/84/41/375978441.db2.gz SXFNQFBFVDSIPS-UHFFFAOYSA-N 2 1 264.417 2.070 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CC[NH2+]1 ZINC000414705572 375931542 /nfs/dbraw/zinc/93/15/42/375931542.db2.gz KQCJMRHEJJXSDD-FPCVCCKLSA-N 2 1 266.429 2.123 20 0 CEADMP CCC[N@@H+](CCN(CC)CC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414706728 375931637 /nfs/dbraw/zinc/93/16/37/375931637.db2.gz HFJXVVKMYSGDDF-HOTGVXAUSA-N 2 1 269.477 2.428 20 0 CEADMP C[N@@H+](CCC[NH3+])CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000414706596 375931912 /nfs/dbraw/zinc/93/19/12/375931912.db2.gz OTRNEBJOILCXDB-UHFFFAOYSA-N 2 1 290.386 2.429 20 0 CEADMP C[N@H+](CCC[NH3+])CCCc1cc(-c2ccc(F)cc2)[nH]n1 ZINC000414706596 375931917 /nfs/dbraw/zinc/93/19/17/375931917.db2.gz OTRNEBJOILCXDB-UHFFFAOYSA-N 2 1 290.386 2.429 20 0 CEADMP C[N@@H+](CCC[NH3+])CCCc1cc(-c2ccc(F)cc2)[nH]n1 ZINC000414706596 375931926 /nfs/dbraw/zinc/93/19/26/375931926.db2.gz OTRNEBJOILCXDB-UHFFFAOYSA-N 2 1 290.386 2.429 20 0 CEADMP COc1ccc([C@H](CO)[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414707219 375932894 /nfs/dbraw/zinc/93/28/94/375932894.db2.gz YQBZYTDJFGQCEB-VBQJREDUSA-N 2 1 292.423 2.049 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC000414713837 375937280 /nfs/dbraw/zinc/93/72/80/375937280.db2.gz UOOLWGFFGKVKHD-BPQIPLTHSA-N 2 1 288.435 2.318 20 0 CEADMP Cc1c[nH]nc1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000414796975 375979937 /nfs/dbraw/zinc/97/99/37/375979937.db2.gz VWVFYTLIVFMNHH-UHFFFAOYSA-N 2 1 250.390 2.059 20 0 CEADMP Cc1c[nH]nc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000414796975 375979944 /nfs/dbraw/zinc/97/99/44/375979944.db2.gz VWVFYTLIVFMNHH-UHFFFAOYSA-N 2 1 250.390 2.059 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000414745640 375946803 /nfs/dbraw/zinc/94/68/03/375946803.db2.gz RAQSPPSKKRWQNY-CABCVRRESA-N 2 1 254.418 2.251 20 0 CEADMP CCCOc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1OC ZINC000414809437 375995465 /nfs/dbraw/zinc/99/54/65/375995465.db2.gz UDXXJJCWWLHKQU-AWEZNQCLSA-N 2 1 278.396 2.311 20 0 CEADMP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000415113232 376022274 /nfs/dbraw/zinc/02/22/74/376022274.db2.gz WLMCPPWWBJYVFI-JYJNAYRXSA-N 2 1 260.381 2.106 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000262873267 190064448 /nfs/dbraw/zinc/06/44/48/190064448.db2.gz MNLMOFVUCLLPKH-CVEARBPZSA-N 2 1 289.423 2.067 20 0 CEADMP COC[C@@H]1C[N@@H+](CCCc2cnccc2C)C[C@H](C)O1 ZINC000289692312 376447782 /nfs/dbraw/zinc/44/77/82/376447782.db2.gz NEFIHHKNUXPTLQ-HOCLYGCPSA-N 2 1 278.396 2.058 20 0 CEADMP COC[C@@H]1CN(CCCc2cnccc2C)C[C@H](C)O1 ZINC000289692312 376447790 /nfs/dbraw/zinc/44/77/90/376447790.db2.gz NEFIHHKNUXPTLQ-HOCLYGCPSA-N 2 1 278.396 2.058 20 0 CEADMP CC(C)c1cc(N2CCC[C@H](C)[C@@H]2C[NH3+])nc(N(C)C)[nH+]1 ZINC000420179847 376593041 /nfs/dbraw/zinc/59/30/41/376593041.db2.gz CJJGGVNHCFKARS-JSGCOSHPSA-N 2 1 291.443 2.230 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cn[nH]c1 ZINC000310693838 376632288 /nfs/dbraw/zinc/63/22/88/376632288.db2.gz YRRQUXVKXQCMGI-LLVKDONJSA-N 2 1 250.390 2.323 20 0 CEADMP Cc1nc(NC[C@@H]2[NH2+]CCCC2(C)C)c(C)c(C)[nH+]1 ZINC000420246184 376654676 /nfs/dbraw/zinc/65/46/76/376654676.db2.gz RWNABRPPEHOCKM-ZDUSSCGKSA-N 2 1 262.401 2.014 20 0 CEADMP O=C(CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1 ZINC000420388818 376685797 /nfs/dbraw/zinc/68/57/97/376685797.db2.gz XAKWODDHJAKWLR-QGZVFWFLSA-N 2 1 287.407 2.091 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)CN(C)C2CC2)c(C)s1 ZINC000311827296 376688599 /nfs/dbraw/zinc/68/85/99/376688599.db2.gz KVYUZGVABXJTRT-BXUZGUMPSA-N 2 1 282.453 2.471 20 0 CEADMP Fc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000312018518 376698284 /nfs/dbraw/zinc/69/82/84/376698284.db2.gz KMZQARYWOUWWCA-BETUJISGSA-N 2 1 266.335 2.396 20 0 CEADMP C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CC1CCOCC1 ZINC000312096136 376702514 /nfs/dbraw/zinc/70/25/14/376702514.db2.gz FGUVZDBCDGLHOG-HZPDHXFCSA-N 2 1 266.429 2.125 20 0 CEADMP CCc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)on1 ZINC000560525568 376758921 /nfs/dbraw/zinc/75/89/21/376758921.db2.gz QISFKXHIOHIWMB-ZNMIVQPWSA-N 2 1 263.385 2.199 20 0 CEADMP CCc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)on1 ZINC000560525568 376758931 /nfs/dbraw/zinc/75/89/31/376758931.db2.gz QISFKXHIOHIWMB-ZNMIVQPWSA-N 2 1 263.385 2.199 20 0 CEADMP CCc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)on1 ZINC000560525567 376760098 /nfs/dbraw/zinc/76/00/98/376760098.db2.gz QISFKXHIOHIWMB-RRFJBIMHSA-N 2 1 263.385 2.199 20 0 CEADMP CCc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)on1 ZINC000560525567 376760106 /nfs/dbraw/zinc/76/01/06/376760106.db2.gz QISFKXHIOHIWMB-RRFJBIMHSA-N 2 1 263.385 2.199 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000560540133 376761508 /nfs/dbraw/zinc/76/15/08/376761508.db2.gz QGWGAELKGBRXNT-GVDBMIGSSA-N 2 1 273.424 2.395 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000315529657 376797478 /nfs/dbraw/zinc/79/74/78/376797478.db2.gz FZNQKYCGVSYKNU-UHFFFAOYSA-N 2 1 284.407 2.412 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000290494878 376803462 /nfs/dbraw/zinc/80/34/62/376803462.db2.gz OUOHMXFXILLGBN-OAHLLOKOSA-N 2 1 289.423 2.254 20 0 CEADMP COC1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCCC1 ZINC000319965210 376819552 /nfs/dbraw/zinc/81/95/52/376819552.db2.gz YFSAHSCTSKGDMF-ZDUSSCGKSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@@H+](Cc1ccc(O)cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685466475 542145550 /nfs/dbraw/zinc/14/55/50/542145550.db2.gz ZDFVKBSEDMTWFV-CQSZACIVSA-N 2 1 271.364 2.283 20 0 CEADMP C[N@H+](Cc1ccc(O)cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685466475 542145552 /nfs/dbraw/zinc/14/55/52/542145552.db2.gz ZDFVKBSEDMTWFV-CQSZACIVSA-N 2 1 271.364 2.283 20 0 CEADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000685470276 542148002 /nfs/dbraw/zinc/14/80/02/542148002.db2.gz CZDBPUCSIKVPFT-XJKSGUPXSA-N 2 1 261.413 2.416 20 0 CEADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000685470276 542148005 /nfs/dbraw/zinc/14/80/05/542148005.db2.gz CZDBPUCSIKVPFT-XJKSGUPXSA-N 2 1 261.413 2.416 20 0 CEADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000685470276 542148008 /nfs/dbraw/zinc/14/80/08/542148008.db2.gz CZDBPUCSIKVPFT-XJKSGUPXSA-N 2 1 261.413 2.416 20 0 CEADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000685470276 542148012 /nfs/dbraw/zinc/14/80/12/542148012.db2.gz CZDBPUCSIKVPFT-XJKSGUPXSA-N 2 1 261.413 2.416 20 0 CEADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000561532873 376815572 /nfs/dbraw/zinc/81/55/72/376815572.db2.gz SODIXWFVNSFMBR-HUUCEWRRSA-N 2 1 297.487 2.486 20 0 CEADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000561532874 376816270 /nfs/dbraw/zinc/81/62/70/376816270.db2.gz SODIXWFVNSFMBR-LSDHHAIUSA-N 2 1 297.487 2.486 20 0 CEADMP c1ccc(C[N@@H+]2CCCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000323592213 376837791 /nfs/dbraw/zinc/83/77/91/376837791.db2.gz GHQYTILCBDPLLW-SFHVURJKSA-N 2 1 287.451 2.194 20 0 CEADMP CC1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])cn2)CC1 ZINC000422890943 376855020 /nfs/dbraw/zinc/85/50/20/376855020.db2.gz JQJJTOUUFFYIOM-HOTGVXAUSA-N 2 1 288.439 2.287 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(OCCO)cc2)c2ccccc21 ZINC000422936283 376865448 /nfs/dbraw/zinc/86/54/48/376865448.db2.gz BGFPALHBMLNTHS-MSOLQXFVSA-N 2 1 298.386 2.292 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422961393 376886740 /nfs/dbraw/zinc/88/67/40/376886740.db2.gz BPYWWUGJACOMFA-RDJZCZTQSA-N 2 1 277.456 2.265 20 0 CEADMP C[C@@H](NC[C@H](c1ccco1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422961153 376886890 /nfs/dbraw/zinc/88/68/90/376886890.db2.gz AUVNEZYNKWPCGN-MGPQQGTHSA-N 2 1 265.401 2.003 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)N(C)C ZINC000422961630 376889141 /nfs/dbraw/zinc/88/91/41/376889141.db2.gz COXFIDFEUQGDQS-IMJJTQAJSA-N 2 1 269.477 2.331 20 0 CEADMP Cc1cscc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423085466 376979732 /nfs/dbraw/zinc/97/97/32/376979732.db2.gz JZBYHSVCXHBASO-KFWWJZLASA-N 2 1 280.437 2.303 20 0 CEADMP C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422998756 376916779 /nfs/dbraw/zinc/91/67/79/376916779.db2.gz DFAQUAAHGPOKAP-DDHJSBNISA-N 2 1 260.381 2.281 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422998758 376917732 /nfs/dbraw/zinc/91/77/32/376917732.db2.gz DFAQUAAHGPOKAP-MXYBEHONSA-N 2 1 260.381 2.281 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000423016911 376932209 /nfs/dbraw/zinc/93/22/09/376932209.db2.gz NQKTVKFZRNLSKO-CZUORRHYSA-N 2 1 258.409 2.379 20 0 CEADMP C([NH2+][C@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C12CCC(CC1)C2 ZINC000423017772 376934270 /nfs/dbraw/zinc/93/42/70/376934270.db2.gz XBTXKGHIMKQNFG-LHJGCZIBSA-N 2 1 278.440 2.313 20 0 CEADMP C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000423085495 376979230 /nfs/dbraw/zinc/97/92/30/376979230.db2.gz KAAWNYRBRFQLBP-UONOGXRCSA-N 2 1 266.429 2.049 20 0 CEADMP C[C@@H](NC[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423075109 376966686 /nfs/dbraw/zinc/96/66/86/376966686.db2.gz NOXWRDHZQYNSHO-VNQPRFMTSA-N 2 1 265.445 2.124 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000423079224 376970983 /nfs/dbraw/zinc/97/09/83/376970983.db2.gz XTRSDLZKWWJTKX-IWCQGFGOSA-N 2 1 274.408 2.352 20 0 CEADMP C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1c[nH+]ccc1N ZINC000423119514 377014386 /nfs/dbraw/zinc/01/43/86/377014386.db2.gz CSMQTJDXDJGKJI-XCRHUMRWSA-N 2 1 297.402 2.311 20 0 CEADMP CSC1(C[NH2+][C@H]2CCCCC[C@@H]2N)CC[NH+](C)CC1 ZINC000423120496 377015350 /nfs/dbraw/zinc/01/53/50/377015350.db2.gz GWTKBMAKFJIZLZ-KBPBESRZSA-N 2 1 285.501 2.063 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423133236 377031876 /nfs/dbraw/zinc/03/18/76/377031876.db2.gz CNEFSQRSMPQMBH-QLFBSQMISA-N 2 1 255.450 2.227 20 0 CEADMP CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423145563 377045438 /nfs/dbraw/zinc/04/54/38/377045438.db2.gz LHGYHGYFYZYWGY-GARJFASQSA-N 2 1 268.323 2.074 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000423089981 376982414 /nfs/dbraw/zinc/98/24/14/376982414.db2.gz WHUVHFJUIQZSAI-QLFBSQMISA-N 2 1 267.461 2.085 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000423089981 376982421 /nfs/dbraw/zinc/98/24/21/376982421.db2.gz WHUVHFJUIQZSAI-QLFBSQMISA-N 2 1 267.461 2.085 20 0 CEADMP CCCc1ncc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])o1 ZINC000423149069 377049808 /nfs/dbraw/zinc/04/98/08/377049808.db2.gz AHBSHOVFBFBREY-AAEUAGOBSA-N 2 1 251.374 2.234 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000562744330 376992142 /nfs/dbraw/zinc/99/21/42/376992142.db2.gz PMJHTGNPYHFMRO-CYBMUJFWSA-N 2 1 270.380 2.089 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423108983 377002064 /nfs/dbraw/zinc/00/20/64/377002064.db2.gz MZFPTTNRELKSHX-RRFJBIMHSA-N 2 1 253.434 2.110 20 0 CEADMP Cc1cccc(CCC[NH2+][C@@H](C)c2c[nH+]ccc2N)n1 ZINC000423112082 377006181 /nfs/dbraw/zinc/00/61/81/377006181.db2.gz WYPLNCHGYRTRKT-ZDUSSCGKSA-N 2 1 270.380 2.481 20 0 CEADMP [NH3+]CC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000423193782 377108566 /nfs/dbraw/zinc/10/85/66/377108566.db2.gz WZNHZOIJWQCPOM-GFCCVEGCSA-N 2 1 269.186 2.449 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000423203690 377119801 /nfs/dbraw/zinc/11/98/01/377119801.db2.gz SYEUAUWYEHNIBU-KFWWJZLASA-N 2 1 267.461 2.356 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423156305 377059836 /nfs/dbraw/zinc/05/98/36/377059836.db2.gz RYZOKNYTYWLVRO-XQQFMLRXSA-N 2 1 250.390 2.071 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423158393 377061829 /nfs/dbraw/zinc/06/18/29/377061829.db2.gz WPVJYWRWLPEKPQ-RKTXRCNFSA-N 2 1 289.423 2.422 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423160426 377064013 /nfs/dbraw/zinc/06/40/13/377064013.db2.gz HFGGTTSXLQVFFA-ZACQAIPSSA-N 3 1 279.472 2.371 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423165234 377069781 /nfs/dbraw/zinc/06/97/81/377069781.db2.gz AWYOLEHHLNMTIJ-XOKHGSTOSA-N 3 1 273.424 2.453 20 0 CEADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@H](N)c3ccccc32)C1 ZINC000423165234 377069788 /nfs/dbraw/zinc/06/97/88/377069788.db2.gz AWYOLEHHLNMTIJ-XOKHGSTOSA-N 2 1 273.424 2.453 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@H](N)c3ccccc32)C1 ZINC000423165234 377069798 /nfs/dbraw/zinc/06/97/98/377069798.db2.gz AWYOLEHHLNMTIJ-XOKHGSTOSA-N 2 1 273.424 2.453 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C2 ZINC000423166767 377072250 /nfs/dbraw/zinc/07/22/50/377072250.db2.gz DECXAUHXJICPNL-BJJXKVORSA-N 2 1 274.408 2.283 20 0 CEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423171824 377080236 /nfs/dbraw/zinc/08/02/36/377080236.db2.gz QCYGWWSSSYRULJ-OXGONZEZSA-N 2 1 266.429 2.168 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000423183027 377094855 /nfs/dbraw/zinc/09/48/55/377094855.db2.gz MIASIAXUVPNAGN-XNRPHZJLSA-N 2 1 277.387 2.135 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423184299 377096528 /nfs/dbraw/zinc/09/65/28/377096528.db2.gz IGEAYLQIGGXZNN-DOMZBBRYSA-N 2 1 292.423 2.285 20 0 CEADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccncc1 ZINC000423188378 377101710 /nfs/dbraw/zinc/10/17/10/377101710.db2.gz NPESOJWQOJJMQC-CQSZACIVSA-N 2 1 270.380 2.307 20 0 CEADMP COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000423212946 377129508 /nfs/dbraw/zinc/12/95/08/377129508.db2.gz JHPLZAUVMFSXNH-SRVKXCTJSA-N 2 1 280.368 2.105 20 0 CEADMP CCOC(=O)C[N@H+](CCCc1c[nH+]cn1C)C1CCCC1 ZINC000563349567 377177301 /nfs/dbraw/zinc/17/73/01/377177301.db2.gz HAJHBNRJKYOKRB-UHFFFAOYSA-N 2 1 293.411 2.160 20 0 CEADMP CCOC(=O)C[N@@H+](CCCc1c[nH+]cn1C)C1CCCC1 ZINC000563349567 377177308 /nfs/dbraw/zinc/17/73/08/377177308.db2.gz HAJHBNRJKYOKRB-UHFFFAOYSA-N 2 1 293.411 2.160 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000423259726 377178324 /nfs/dbraw/zinc/17/83/24/377178324.db2.gz FRZDCSIREKEMPD-DZGCQCFKSA-N 2 1 287.411 2.291 20 0 CEADMP [NH3+]C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000423269192 377189399 /nfs/dbraw/zinc/18/93/99/377189399.db2.gz VNZAROYADWWNPE-OAGGEKHMSA-N 2 1 265.445 2.110 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423280068 377207662 /nfs/dbraw/zinc/20/76/62/377207662.db2.gz STKVXGOSNGDKCW-RHSMWYFYSA-N 3 1 293.455 2.261 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(F)cn1 ZINC000423280741 377207858 /nfs/dbraw/zinc/20/78/58/377207858.db2.gz UMSJZQHZPHPDPQ-OPQQBVKSSA-N 2 1 267.348 2.007 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCC[NH2+]C1CCCCCC1 ZINC000423285175 377215628 /nfs/dbraw/zinc/21/56/28/377215628.db2.gz XTYJPGWIIQQAST-RHSMWYFYSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000423287389 377217467 /nfs/dbraw/zinc/21/74/67/377217467.db2.gz MAAGNEFPFHCOGO-GFCCVEGCSA-N 2 1 275.396 2.201 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000423298215 377227063 /nfs/dbraw/zinc/22/70/63/377227063.db2.gz NQMDBPARDVJTFU-KFWWJZLASA-N 2 1 284.444 2.068 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423303172 377233218 /nfs/dbraw/zinc/23/32/18/377233218.db2.gz WRFKPPQSEBWFKJ-BARDWOONSA-N 2 1 266.429 2.441 20 0 CEADMP COCCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423336654 377268680 /nfs/dbraw/zinc/26/86/80/377268680.db2.gz XWZYPJHZWCFRMF-LRDDRELGSA-N 2 1 278.396 2.100 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423323080 377256181 /nfs/dbraw/zinc/25/61/81/377256181.db2.gz JKSAEKCHTXIIAK-JMSVASOKSA-N 2 1 266.360 2.230 20 0 CEADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)s1 ZINC000423325102 377256965 /nfs/dbraw/zinc/25/69/65/377256965.db2.gz PZZNNSVAHJPVIJ-SKDRFNHKSA-N 2 1 283.441 2.028 20 0 CEADMP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)s1 ZINC000423328741 377263878 /nfs/dbraw/zinc/26/38/78/377263878.db2.gz SFXZSAOIIGXLTR-LDYMZIIASA-N 2 1 253.415 2.402 20 0 CEADMP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)C(C)(C)n1cncn1 ZINC000423275337 377199599 /nfs/dbraw/zinc/19/95/99/377199599.db2.gz LRSANIXMAUOWAE-CQSZACIVSA-N 2 1 293.459 2.304 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc(OC)c1OC ZINC000423278353 377204180 /nfs/dbraw/zinc/20/41/80/377204180.db2.gz PQBQRHLQEYFGRL-GXFFZTMASA-N 2 1 294.395 2.100 20 0 CEADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1OC ZINC000423279281 377205947 /nfs/dbraw/zinc/20/59/47/377205947.db2.gz RCCQZPIXXNOHRV-IUODEOHRSA-N 2 1 292.423 2.270 20 0 CEADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cscn1 ZINC000564561196 377405871 /nfs/dbraw/zinc/40/58/71/377405871.db2.gz BAGFYSHFMYQHRX-HSBZDZAISA-N 2 1 294.468 2.010 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)c3ccccc3)C2)C1 ZINC000293056358 377410201 /nfs/dbraw/zinc/41/02/01/377410201.db2.gz UIBUOBOYOBJAMI-SJORKVTESA-N 2 1 274.408 2.138 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)c3ccccc3)C2)C1 ZINC000293056358 377410213 /nfs/dbraw/zinc/41/02/13/377410213.db2.gz UIBUOBOYOBJAMI-SJORKVTESA-N 2 1 274.408 2.138 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)c3ccccc3)C2)C1 ZINC000293056358 377410220 /nfs/dbraw/zinc/41/02/20/377410220.db2.gz UIBUOBOYOBJAMI-SJORKVTESA-N 2 1 274.408 2.138 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564973588 377517856 /nfs/dbraw/zinc/51/78/56/377517856.db2.gz UDVHPQJRJKYXLO-QGZVFWFLSA-N 2 1 282.391 2.314 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000564973588 377517865 /nfs/dbraw/zinc/51/78/65/377517865.db2.gz UDVHPQJRJKYXLO-QGZVFWFLSA-N 2 1 282.391 2.314 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](O)Cc1ccccc1 ZINC000293367848 377539874 /nfs/dbraw/zinc/53/98/74/377539874.db2.gz OUZQBIBDAKFPKN-DLBZAZTESA-N 2 1 276.424 2.006 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H](O)Cc1ccccc1 ZINC000293367848 377539878 /nfs/dbraw/zinc/53/98/78/377539878.db2.gz OUZQBIBDAKFPKN-DLBZAZTESA-N 2 1 276.424 2.006 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H](O)Cc1ccccc1 ZINC000293367848 377539884 /nfs/dbraw/zinc/53/98/84/377539884.db2.gz OUZQBIBDAKFPKN-DLBZAZTESA-N 2 1 276.424 2.006 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000685666165 542177786 /nfs/dbraw/zinc/17/77/86/542177786.db2.gz MPGMBTYKTIGHJV-GJZGRUSLSA-N 3 1 269.477 2.427 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000685666165 542177791 /nfs/dbraw/zinc/17/77/91/542177791.db2.gz MPGMBTYKTIGHJV-GJZGRUSLSA-N 3 1 269.477 2.427 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000685666085 542177815 /nfs/dbraw/zinc/17/78/15/542177815.db2.gz ZESIWFRAJVBUDD-OAGGEKHMSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000685666085 542177817 /nfs/dbraw/zinc/17/78/17/542177817.db2.gz ZESIWFRAJVBUDD-OAGGEKHMSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000685666085 542177822 /nfs/dbraw/zinc/17/78/22/542177822.db2.gz ZESIWFRAJVBUDD-OAGGEKHMSA-N 2 1 267.461 2.323 20 0 CEADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ncc[nH]2)c1 ZINC000066593908 249299319 /nfs/dbraw/zinc/29/93/19/249299319.db2.gz BMHIPYDEYIUKQK-UHFFFAOYSA-N 2 1 258.369 2.151 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ncc[nH]2)c1 ZINC000066593908 249299321 /nfs/dbraw/zinc/29/93/21/249299321.db2.gz BMHIPYDEYIUKQK-UHFFFAOYSA-N 2 1 258.369 2.151 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)CCCO1 ZINC000313349818 249394833 /nfs/dbraw/zinc/39/48/33/249394833.db2.gz JDNFUPRYEJHDRG-CYBMUJFWSA-N 2 1 270.323 2.174 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CCCO1 ZINC000313349818 249394837 /nfs/dbraw/zinc/39/48/37/249394837.db2.gz JDNFUPRYEJHDRG-CYBMUJFWSA-N 2 1 270.323 2.174 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000332590501 377640115 /nfs/dbraw/zinc/64/01/15/377640115.db2.gz KHJFGRLJJFVELO-MRVWCRGKSA-N 2 1 276.380 2.378 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000431552796 377651461 /nfs/dbraw/zinc/65/14/61/377651461.db2.gz KTITVQOAFAGFDP-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000566063659 377715799 /nfs/dbraw/zinc/71/57/99/377715799.db2.gz GNZWBQODKVMIAX-CVEARBPZSA-N 2 1 268.445 2.390 20 0 CEADMP CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000566063659 377715809 /nfs/dbraw/zinc/71/58/09/377715809.db2.gz GNZWBQODKVMIAX-CVEARBPZSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1(C)CC1 ZINC000432413845 377758608 /nfs/dbraw/zinc/75/86/08/377758608.db2.gz IITDWODNRODBRW-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1(C)CC1 ZINC000432413845 377758614 /nfs/dbraw/zinc/75/86/14/377758614.db2.gz IITDWODNRODBRW-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432432048 377763135 /nfs/dbraw/zinc/76/31/35/377763135.db2.gz XQJCGMBDEOBJAA-HZPDHXFCSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432432048 377763144 /nfs/dbraw/zinc/76/31/44/377763144.db2.gz XQJCGMBDEOBJAA-HZPDHXFCSA-N 2 1 298.471 2.282 20 0 CEADMP Cc1cc[nH+]c(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000333469764 377767259 /nfs/dbraw/zinc/76/72/59/377767259.db2.gz APWLSKXJELMGHW-GOEBONIOSA-N 2 1 275.396 2.113 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000442923941 378019355 /nfs/dbraw/zinc/01/93/55/378019355.db2.gz NCTVMKXJZRYSNQ-KRWDZBQOSA-N 2 1 298.434 2.492 20 0 CEADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057800 378031992 /nfs/dbraw/zinc/03/19/92/378031992.db2.gz HZFJTBKWYGYRGP-FPCVCCKLSA-N 2 1 295.471 2.131 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC[NH+]2CCCC2(C)C)[C@H](C)C1 ZINC000449780183 378229818 /nfs/dbraw/zinc/22/98/18/378229818.db2.gz FPCHLFFKAFSZOH-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@@H+]2CCCC2(C)C)[C@H](C)C1 ZINC000449780183 378229824 /nfs/dbraw/zinc/22/98/24/378229824.db2.gz FPCHLFFKAFSZOH-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@H+]2CCCC2(C)C)[C@H](C)C1 ZINC000449780183 378229832 /nfs/dbraw/zinc/22/98/32/378229832.db2.gz FPCHLFFKAFSZOH-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccsc1 ZINC000295792460 378306030 /nfs/dbraw/zinc/30/60/30/378306030.db2.gz BQCCYMHPKSXUIF-KGLIPLIRSA-N 2 1 268.426 2.246 20 0 CEADMP Cc1nccn1CCC[N@H+](C)Cc1ccncc1C ZINC000296033340 378396652 /nfs/dbraw/zinc/39/66/52/378396652.db2.gz NJYYQCCUEJYDIA-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccncc1C ZINC000296033340 378396666 /nfs/dbraw/zinc/39/66/66/378396666.db2.gz NJYYQCCUEJYDIA-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cs1 ZINC000296218161 378456784 /nfs/dbraw/zinc/45/67/84/378456784.db2.gz ZTASTMPZLNOFSW-JSGCOSHPSA-N 2 1 268.426 2.164 20 0 CEADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1CC[NH+](C)Cc1ccccc1 ZINC000450655489 378522246 /nfs/dbraw/zinc/52/22/46/378522246.db2.gz SVRZJONFAUUWFJ-JKSUJKDBSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@@H]1[C@H](C)[NH+](C)CCN1CC[N@H+](C)Cc1ccccc1 ZINC000450655489 378522254 /nfs/dbraw/zinc/52/22/54/378522254.db2.gz SVRZJONFAUUWFJ-JKSUJKDBSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@@H]1[C@H](C)[NH+](C)CCN1CC[N@@H+](C)Cc1ccccc1 ZINC000450655489 378522262 /nfs/dbraw/zinc/52/22/62/378522262.db2.gz SVRZJONFAUUWFJ-JKSUJKDBSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@@H](Cc1cnccn1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000453096607 378800444 /nfs/dbraw/zinc/80/04/44/378800444.db2.gz UFQPAPVZQAPCEM-GJZGRUSLSA-N 2 1 276.428 2.262 20 0 CEADMP OCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453059968 378789335 /nfs/dbraw/zinc/78/93/35/378789335.db2.gz QYLITATXYTUXAW-KSZLIROESA-N 2 1 288.435 2.402 20 0 CEADMP Cc1ncc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1-c1ccccc1 ZINC000346837101 218030872 /nfs/dbraw/zinc/03/08/72/218030872.db2.gz PEKSCUQNERROCJ-DZGCQCFKSA-N 2 1 284.407 2.350 20 0 CEADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000453312066 378860552 /nfs/dbraw/zinc/86/05/52/378860552.db2.gz UCOLCGRSNOFFMW-BFHYXJOUSA-N 2 1 279.453 2.456 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CC1 ZINC000453400450 378889006 /nfs/dbraw/zinc/88/90/06/378889006.db2.gz MJVPGWVOEQARAO-XHSDSOJGSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CCCOC1 ZINC000453421009 378897886 /nfs/dbraw/zinc/89/78/86/378897886.db2.gz ZZMVHDGFVBLITJ-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453381474 378879190 /nfs/dbraw/zinc/87/91/90/378879190.db2.gz LFKUJRBLLBRBSI-KGLIPLIRSA-N 2 1 268.445 2.248 20 0 CEADMP CCOC(=O)C1([N@@H+](C)CC2CC[NH2+]CC2)CCCCC1 ZINC000346967546 218071837 /nfs/dbraw/zinc/07/18/37/218071837.db2.gz DZYHJHVQGHNBRT-UHFFFAOYSA-N 2 1 282.428 2.184 20 0 CEADMP OCCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000346964594 218072304 /nfs/dbraw/zinc/07/23/04/218072304.db2.gz BNMLZHONMIVQSR-YJBOKZPZSA-N 2 1 288.435 2.358 20 0 CEADMP CC[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346977901 218076351 /nfs/dbraw/zinc/07/63/51/218076351.db2.gz NFQIUDDVIGVLMV-IRXDYDNUSA-N 2 1 276.424 2.259 20 0 CEADMP CC(C)([NH3+])C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000347000320 218087871 /nfs/dbraw/zinc/08/78/71/218087871.db2.gz GDMXGCNDPLIQPY-HNNXBMFYSA-N 2 1 262.397 2.262 20 0 CEADMP C[N@@H+](Cc1ccc(OC(F)F)cc1)C1CC[NH2+]CC1 ZINC000347056412 218108462 /nfs/dbraw/zinc/10/84/62/218108462.db2.gz VBQMLRJKGPSBDD-UHFFFAOYSA-N 2 1 270.323 2.472 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](C/C=C/c2ccccc2OC)C1 ZINC000347082555 218114648 /nfs/dbraw/zinc/11/46/48/218114648.db2.gz ZLWVFQUJVBLHLQ-HZRUHFOJSA-N 2 1 260.381 2.250 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](C/C=C/c2ccccc2OC)C1 ZINC000347082555 218114651 /nfs/dbraw/zinc/11/46/51/218114651.db2.gz ZLWVFQUJVBLHLQ-HZRUHFOJSA-N 2 1 260.381 2.250 20 0 CEADMP COCCCOc1cccc(C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000347113938 218125860 /nfs/dbraw/zinc/12/58/60/218125860.db2.gz SREQDRJTPWPJLM-UHFFFAOYSA-N 2 1 292.423 2.286 20 0 CEADMP CCc1ncc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000347151250 218138708 /nfs/dbraw/zinc/13/87/08/218138708.db2.gz ZSNZDJPPLZLFAS-GHMZBOCLSA-N 2 1 253.415 2.265 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000347151250 218138709 /nfs/dbraw/zinc/13/87/09/218138709.db2.gz ZSNZDJPPLZLFAS-GHMZBOCLSA-N 2 1 253.415 2.265 20 0 CEADMP COC1CC([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000347421813 218229307 /nfs/dbraw/zinc/22/93/07/218229307.db2.gz GGVVUOOFZVXATL-UHFFFAOYSA-N 2 1 296.455 2.177 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000180174744 542262223 /nfs/dbraw/zinc/26/22/23/542262223.db2.gz KGMKSCGABUSFKI-QWHCGFSZSA-N 2 1 264.417 2.491 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000347468529 218244601 /nfs/dbraw/zinc/24/46/01/218244601.db2.gz BXKKUCAQEQRMEC-GJZGRUSLSA-N 2 1 283.460 2.132 20 0 CEADMP Cc1cc([C@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)on1 ZINC000515068728 379184322 /nfs/dbraw/zinc/18/43/22/379184322.db2.gz MOLSFLSFXCJHFY-CQSZACIVSA-N 2 1 274.368 2.486 20 0 CEADMP Cc1cc([C@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)on1 ZINC000515068728 379184330 /nfs/dbraw/zinc/18/43/30/379184330.db2.gz MOLSFLSFXCJHFY-CQSZACIVSA-N 2 1 274.368 2.486 20 0 CEADMP Cc1cncc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000278879178 194194526 /nfs/dbraw/zinc/19/45/26/194194526.db2.gz CLBSJUYLCWBETF-UONOGXRCSA-N 2 1 270.380 2.500 20 0 CEADMP Cc1nccn1CC[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278861736 194188356 /nfs/dbraw/zinc/18/83/56/194188356.db2.gz SATSGAWSOUWQRN-LLVKDONJSA-N 2 1 261.291 2.466 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278861736 194188361 /nfs/dbraw/zinc/18/83/61/194188361.db2.gz SATSGAWSOUWQRN-LLVKDONJSA-N 2 1 261.291 2.466 20 0 CEADMP C[N@@H+](CCCCO)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266596052 190269300 /nfs/dbraw/zinc/26/93/00/190269300.db2.gz VPEVBZIPWIYIFF-QGZVFWFLSA-N 2 1 276.424 2.213 20 0 CEADMP C[NH+](CCCCO)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266596052 190269301 /nfs/dbraw/zinc/26/93/01/190269301.db2.gz VPEVBZIPWIYIFF-QGZVFWFLSA-N 2 1 276.424 2.213 20 0 CEADMP C[NH+](CCCCO)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266596052 190269302 /nfs/dbraw/zinc/26/93/02/190269302.db2.gz VPEVBZIPWIYIFF-QGZVFWFLSA-N 2 1 276.424 2.213 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000517029926 379336854 /nfs/dbraw/zinc/33/68/54/379336854.db2.gz JVIDRXTVMXEHFY-JTQLQIEISA-N 2 1 251.399 2.191 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000517029926 379336864 /nfs/dbraw/zinc/33/68/64/379336864.db2.gz JVIDRXTVMXEHFY-JTQLQIEISA-N 2 1 251.399 2.191 20 0 CEADMP COCC[NH2+]C1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000517034947 379338610 /nfs/dbraw/zinc/33/86/10/379338610.db2.gz CRUXHOIYZJMERI-CQSZACIVSA-N 2 1 292.423 2.457 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNc2cc[nH+]cc2C(N)=O)C1 ZINC000302236914 379342791 /nfs/dbraw/zinc/34/27/91/379342791.db2.gz VYSSFZVNFQVGLL-CYBMUJFWSA-N 2 1 290.411 2.105 20 0 CEADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000303047186 379484548 /nfs/dbraw/zinc/48/45/48/379484548.db2.gz WPVMTOILVHGIQN-HZPDHXFCSA-N 2 1 276.424 2.411 20 0 CEADMP COC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C)o1 ZINC000521463142 379533063 /nfs/dbraw/zinc/53/30/63/379533063.db2.gz ZZRWRZWTJSKJPE-AGIUHOORSA-N 2 1 252.358 2.135 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1sc(CCOC)nc1C ZINC000574629804 299512514 /nfs/dbraw/zinc/51/25/14/299512514.db2.gz YSGKBESZCGPTQC-NSHDSACASA-N 2 1 285.457 2.291 20 0 CEADMP CCc1noc([C@H](C)[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)n1 ZINC000266908208 190289366 /nfs/dbraw/zinc/28/93/66/190289366.db2.gz IIEGDYGNFHBPLW-WDEREUQCSA-N 2 1 275.356 2.296 20 0 CEADMP CCc1noc([C@H](C)[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)n1 ZINC000266908208 190289367 /nfs/dbraw/zinc/28/93/67/190289367.db2.gz IIEGDYGNFHBPLW-WDEREUQCSA-N 2 1 275.356 2.296 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000457102762 379670763 /nfs/dbraw/zinc/67/07/63/379670763.db2.gz AJZKRZJNCLQETO-VGWMRTNUSA-N 2 1 295.471 2.189 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@]1(CO)CCc2ccccc21 ZINC000305702855 379734697 /nfs/dbraw/zinc/73/46/97/379734697.db2.gz CCJYDXZLMUEMEN-SFHVURJKSA-N 2 1 299.418 2.395 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC000347727999 218337601 /nfs/dbraw/zinc/33/76/01/218337601.db2.gz CSHNBSHCEGKINB-HOTGVXAUSA-N 2 1 297.487 2.297 20 0 CEADMP C[C@@H](C(=O)NCCCC[N@@H+](C)C1CC1)[NH+]1CCCCCC1 ZINC000457200692 379711443 /nfs/dbraw/zinc/71/14/43/379711443.db2.gz LTCHAVJCNZGFAT-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]CC1(F)CC1 ZINC000527526372 379765382 /nfs/dbraw/zinc/76/53/82/379765382.db2.gz YDWZNNBXWJEWSR-MRXNPFEDSA-N 2 1 292.398 2.235 20 0 CEADMP CC(C)c1ncc2c(n1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000527616610 379778373 /nfs/dbraw/zinc/77/83/73/379778373.db2.gz IHYVVBGLOAGPLO-AWEZNQCLSA-N 2 1 288.439 2.348 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(C)OCC)[C@H](C)C1 ZINC000527974702 379861731 /nfs/dbraw/zinc/86/17/31/379861731.db2.gz OEJWZONITYBURT-TWMKSMIVSA-N 2 1 298.471 2.281 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC000528376760 379952646 /nfs/dbraw/zinc/95/26/46/379952646.db2.gz HEYFYVGIYATDCA-INIZCTEOSA-N 2 1 279.472 2.134 20 0 CEADMP CC(C)[C@@H]1CN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC[N@H+]1C ZINC000489383415 380183065 /nfs/dbraw/zinc/18/30/65/380183065.db2.gz AKUILPPMRKBRTL-VGWMRTNUSA-N 2 1 295.471 2.046 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccs2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000334430473 380401566 /nfs/dbraw/zinc/40/15/66/380401566.db2.gz JPYYUPPGUCSFBK-GOEBONIOSA-N 2 1 293.480 2.206 20 0 CEADMP C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000546722720 380415688 /nfs/dbraw/zinc/41/56/88/380415688.db2.gz QVYCXUOQWXOWCG-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000492772866 380684031 /nfs/dbraw/zinc/68/40/31/380684031.db2.gz RNVQENNXNDVKTD-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000492772866 380684035 /nfs/dbraw/zinc/68/40/35/380684035.db2.gz RNVQENNXNDVKTD-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCCNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000492772866 380684037 /nfs/dbraw/zinc/68/40/37/380684037.db2.gz RNVQENNXNDVKTD-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000492772866 380684041 /nfs/dbraw/zinc/68/40/41/380684041.db2.gz RNVQENNXNDVKTD-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3nccn32)C1 ZINC000552117374 380686284 /nfs/dbraw/zinc/68/62/84/380686284.db2.gz VCLLHBUYUSPLAI-AWEZNQCLSA-N 2 1 272.396 2.154 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOCC(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000552227661 380695492 /nfs/dbraw/zinc/69/54/92/380695492.db2.gz ZESVZDAJJNEZLU-AVGNSLFASA-N 2 1 294.361 2.418 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCCC[NH+](C)C ZINC000552362611 380701431 /nfs/dbraw/zinc/70/14/31/380701431.db2.gz DTTWQWCPLWWOSG-OWCLPIDISA-N 2 1 297.487 2.201 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000493575555 381064322 /nfs/dbraw/zinc/06/43/22/381064322.db2.gz VDUALILMSRDGLX-GJZGRUSLSA-N 2 1 265.401 2.112 20 0 CEADMP CCc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)s1 ZINC000037924657 542284310 /nfs/dbraw/zinc/28/43/10/542284310.db2.gz VYPHOCIZIAGFEW-NSHDSACASA-N 2 1 253.415 2.137 20 0 CEADMP CCc1ncc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)s1 ZINC000037924657 542284313 /nfs/dbraw/zinc/28/43/13/542284313.db2.gz VYPHOCIZIAGFEW-NSHDSACASA-N 2 1 253.415 2.137 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000334822149 207139140 /nfs/dbraw/zinc/13/91/40/207139140.db2.gz USNRUTWCTMHBAQ-JSGCOSHPSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)n2c1 ZINC000334843296 207172050 /nfs/dbraw/zinc/17/20/50/207172050.db2.gz OKDIUNNKOJJMPL-AWEZNQCLSA-N 2 1 272.396 2.120 20 0 CEADMP Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000335250563 208027490 /nfs/dbraw/zinc/02/74/90/208027490.db2.gz BOIVILVLAHQRHJ-MRXNPFEDSA-N 2 1 274.408 2.182 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CC12CCOCC2 ZINC000335252641 208032491 /nfs/dbraw/zinc/03/24/91/208032491.db2.gz MBDYKWXEROTUDW-CQSZACIVSA-N 2 1 278.371 2.013 20 0 CEADMP Cc1cccc(C)c1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000335268532 208066314 /nfs/dbraw/zinc/06/63/14/208066314.db2.gz UNTTWQIYJHIPQW-INIZCTEOSA-N 2 1 288.435 2.491 20 0 CEADMP Fc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(F)c1 ZINC000335272164 208074305 /nfs/dbraw/zinc/07/43/05/208074305.db2.gz YUUWZBFTVQTOEF-TXEJJXNPSA-N 2 1 266.335 2.396 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccccc1)CC[NH2+]CC2 ZINC000335281887 208092536 /nfs/dbraw/zinc/09/25/36/208092536.db2.gz YIFPKAMTMNNJDC-AWEZNQCLSA-N 2 1 287.407 2.089 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337510081 285147919 /nfs/dbraw/zinc/14/79/19/285147919.db2.gz IGRVOYUFODHYTH-JONQDZQNSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnn3ccccc23)[C@@H](C)C1 ZINC000353863952 220374600 /nfs/dbraw/zinc/37/46/00/220374600.db2.gz HERGENOSLKOBBF-DZGCQCFKSA-N 2 1 272.396 2.154 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnn3ccccc23)[C@@H](C)C1 ZINC000353863952 220374604 /nfs/dbraw/zinc/37/46/04/220374604.db2.gz HERGENOSLKOBBF-DZGCQCFKSA-N 2 1 272.396 2.154 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000268837577 285245136 /nfs/dbraw/zinc/24/51/36/285245136.db2.gz MEBPRPVMINZGQG-QGZVFWFLSA-N 2 1 292.398 2.249 20 0 CEADMP C[NH+](C)CCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281382917 195219781 /nfs/dbraw/zinc/21/97/81/195219781.db2.gz XJDVXENCYZLGCU-CQSZACIVSA-N 2 1 251.349 2.213 20 0 CEADMP C[C@@H]([NH2+]CCCCO)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518832 533377667 /nfs/dbraw/zinc/37/76/67/533377667.db2.gz QLEGKTHNDKJEPQ-KGLIPLIRSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]1 ZINC000400428434 533404535 /nfs/dbraw/zinc/40/45/35/533404535.db2.gz ZXSQMQLVKHVWRL-QMTHXVAHSA-N 2 1 254.324 2.237 20 0 CEADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NC(C)(C)C ZINC000116396517 533509054 /nfs/dbraw/zinc/50/90/54/533509054.db2.gz HDXATKYMLBGUGV-OLZOCXBDSA-N 2 1 285.476 2.246 20 0 CEADMP Cc1cc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)oc1C ZINC000282200610 291983327 /nfs/dbraw/zinc/98/33/27/291983327.db2.gz NXDIFNIQETUTFD-ZIAGYGMSSA-N 2 1 279.428 2.183 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000262698528 131252537 /nfs/dbraw/zinc/25/25/37/131252537.db2.gz GFBYPWSNDREEFO-BBRMVZONSA-N 2 1 292.427 2.127 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000305976066 394513850 /nfs/dbraw/zinc/51/38/50/394513850.db2.gz QONQUPLXKNWIEJ-RRFJBIMHSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000305976066 394513851 /nfs/dbraw/zinc/51/38/51/394513851.db2.gz QONQUPLXKNWIEJ-RRFJBIMHSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421025332 394471534 /nfs/dbraw/zinc/47/15/34/394471534.db2.gz YKESPQONJGYARX-OAHLLOKOSA-N 2 1 265.401 2.066 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421025332 394471538 /nfs/dbraw/zinc/47/15/38/394471538.db2.gz YKESPQONJGYARX-OAHLLOKOSA-N 2 1 265.401 2.066 20 0 CEADMP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000236849609 394487344 /nfs/dbraw/zinc/48/73/44/394487344.db2.gz PLICVELQPLADMX-JKSUJKDBSA-N 2 1 291.439 2.313 20 0 CEADMP CCCC[C@H](C[NH3+])NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000236915086 394489703 /nfs/dbraw/zinc/48/97/03/394489703.db2.gz PLICVELQPLADMX-HZPDHXFCSA-N 2 1 291.439 2.313 20 0 CEADMP CC(C)COCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000036908303 394495815 /nfs/dbraw/zinc/49/58/15/394495815.db2.gz UZNQYTDJBTZHFO-RBSFLKMASA-N 2 1 256.434 2.367 20 0 CEADMP CC[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000355677883 394498285 /nfs/dbraw/zinc/49/82/85/394498285.db2.gz YBAWUVNISABOJC-QKPAOTATSA-N 2 1 266.429 2.408 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3C[C@@H]3C)CC2)CC1 ZINC000421378518 394517659 /nfs/dbraw/zinc/51/76/59/394517659.db2.gz SXERBPDWAPDSOB-JKSUJKDBSA-N 2 1 279.472 2.134 20 0 CEADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246569446 394518342 /nfs/dbraw/zinc/51/83/42/394518342.db2.gz XTEBYWGLJLKSPE-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H](C)[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000247990512 394536185 /nfs/dbraw/zinc/53/61/85/394536185.db2.gz JJAUTCRPKDANLL-KKUMJFAQSA-N 2 1 256.434 2.248 20 0 CEADMP N[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc21 ZINC000333886619 394655025 /nfs/dbraw/zinc/65/50/25/394655025.db2.gz XIMUGYJFJXGUCZ-IJNPPISZSA-N 2 1 271.408 2.109 20 0 CEADMP CC(C)[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+]1CCCCC1 ZINC000422030496 394659465 /nfs/dbraw/zinc/65/94/65/394659465.db2.gz ZUDJLRMNDQAGDG-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000259026663 394599830 /nfs/dbraw/zinc/59/98/30/394599830.db2.gz OKJDGGTZUOXSMD-CHWSQXEVSA-N 2 1 264.369 2.063 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000261600436 394604221 /nfs/dbraw/zinc/60/42/21/394604221.db2.gz WOPBAXYKNZBONF-BBRMVZONSA-N 2 1 287.407 2.001 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000356766684 394607100 /nfs/dbraw/zinc/60/71/00/394607100.db2.gz SJEZJJPAQXKODU-CYBMUJFWSA-N 2 1 271.449 2.001 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@H](C)C1 ZINC000356822936 394623579 /nfs/dbraw/zinc/62/35/79/394623579.db2.gz OMSLEBYIHPHSFI-KFWWJZLASA-N 2 1 297.487 2.342 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000266606603 394668263 /nfs/dbraw/zinc/66/82/63/394668263.db2.gz GPPFOHARXYWYFF-DOTOQJQBSA-N 2 1 276.424 2.302 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000266606603 394668268 /nfs/dbraw/zinc/66/82/68/394668268.db2.gz GPPFOHARXYWYFF-DOTOQJQBSA-N 2 1 276.424 2.302 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000266606603 394668272 /nfs/dbraw/zinc/66/82/72/394668272.db2.gz GPPFOHARXYWYFF-DOTOQJQBSA-N 2 1 276.424 2.302 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000266606603 394668275 /nfs/dbraw/zinc/66/82/75/394668275.db2.gz GPPFOHARXYWYFF-DOTOQJQBSA-N 2 1 276.424 2.302 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356879444 394640695 /nfs/dbraw/zinc/64/06/95/394640695.db2.gz TXIHRQGTAPYZKG-IPYPFGDCSA-N 2 1 265.401 2.232 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1NCC[N@@H+](C)C1CCCCC1 ZINC000422706285 394729375 /nfs/dbraw/zinc/72/93/75/394729375.db2.gz UCFAXUCFHZSWEZ-GOEBONIOSA-N 2 1 267.461 2.229 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422738460 394749663 /nfs/dbraw/zinc/74/96/63/394749663.db2.gz YVLIHFMSXAAFTH-ARFHVFGLSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000422718645 394738051 /nfs/dbraw/zinc/73/80/51/394738051.db2.gz XDYBVGCFUHSNCX-RDJZCZTQSA-N 2 1 276.424 2.223 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422720032 394739216 /nfs/dbraw/zinc/73/92/16/394739216.db2.gz ZKLKOCLGNGWJEQ-XYPWUTKMSA-N 3 1 267.461 2.371 20 0 CEADMP COc1ccc(CCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000422726031 394742309 /nfs/dbraw/zinc/74/23/09/394742309.db2.gz YYZZYPKLBMXFIU-HIFRSBDPSA-N 2 1 292.423 2.224 20 0 CEADMP CCOc1ccc([C@@H]2CCC[N@H+]2CCOCC[NH3+])cc1 ZINC000357023637 394684786 /nfs/dbraw/zinc/68/47/86/394684786.db2.gz CWWQEUUUSDVAMF-INIZCTEOSA-N 2 1 278.396 2.198 20 0 CEADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CC1(C)C ZINC000414126817 394710559 /nfs/dbraw/zinc/71/05/59/394710559.db2.gz FMZSCNDXEOHEMM-GJZGRUSLSA-N 2 1 281.488 2.427 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414129512 394711389 /nfs/dbraw/zinc/71/13/89/394711389.db2.gz VBIHNQAVYYFLKV-ZDUSSCGKSA-N 2 1 287.411 2.465 20 0 CEADMP CCC[C@H](CCc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358257053 394714220 /nfs/dbraw/zinc/71/42/20/394714220.db2.gz RYRSVTMXQMWNBD-QZTJIDSGSA-N 2 1 290.451 2.444 20 0 CEADMP CCC[C@H](CCc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358257053 394714222 /nfs/dbraw/zinc/71/42/22/394714222.db2.gz RYRSVTMXQMWNBD-QZTJIDSGSA-N 2 1 290.451 2.444 20 0 CEADMP CC(C)CN(C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)C(C)C ZINC000422637407 394722758 /nfs/dbraw/zinc/72/27/58/394722758.db2.gz OOXGQOSIMBIZNV-OAGGEKHMSA-N 2 1 297.487 2.185 20 0 CEADMP CC(C)CN(C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)C(C)C ZINC000422637407 394722761 /nfs/dbraw/zinc/72/27/61/394722761.db2.gz OOXGQOSIMBIZNV-OAGGEKHMSA-N 2 1 297.487 2.185 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422736058 394748055 /nfs/dbraw/zinc/74/80/55/394748055.db2.gz VRWUMKWVVHCZRI-OAGGEKHMSA-N 2 1 267.461 2.229 20 0 CEADMP CC[C@@H]1CCCCN1CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422736058 394748062 /nfs/dbraw/zinc/74/80/62/394748062.db2.gz VRWUMKWVVHCZRI-OAGGEKHMSA-N 2 1 267.461 2.229 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422699874 394725978 /nfs/dbraw/zinc/72/59/78/394725978.db2.gz BMIHPUZCNXCWGE-ARFHVFGLSA-N 3 1 276.428 2.092 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422736510 394748229 /nfs/dbraw/zinc/74/82/29/394748229.db2.gz GKRUEDLEKREKNH-ILXRZTDVSA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc2c1OC(F)(F)O2)[C@@H]1CCC[NH2+]C1 ZINC000414822168 394752328 /nfs/dbraw/zinc/75/23/28/394752328.db2.gz MSIDYMFMYLFRIC-GHMZBOCLSA-N 2 1 298.333 2.486 20 0 CEADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422742638 394753284 /nfs/dbraw/zinc/75/32/84/394753284.db2.gz SEWYVMQWQXRAKW-SLEUVZQESA-N 2 1 250.361 2.487 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422742552 394753510 /nfs/dbraw/zinc/75/35/10/394753510.db2.gz QIEYGMRJLUJCFO-NXHRZFHOSA-N 2 1 287.451 2.239 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2F)CC12CCOCC2 ZINC000335254620 394754176 /nfs/dbraw/zinc/75/41/76/394754176.db2.gz ZWXRKRGTTBSFQP-AWEZNQCLSA-N 2 1 278.371 2.013 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(OC)c1OC(C)C ZINC000414829051 394757002 /nfs/dbraw/zinc/75/70/02/394757002.db2.gz AHRDVBOVCLZSPL-ZDUSSCGKSA-N 2 1 280.412 2.428 20 0 CEADMP Cn1cc(C[NH2+]CC2([NH3+])CCCCC2)c(-c2ccncc2)n1 ZINC000414836656 394762317 /nfs/dbraw/zinc/76/23/17/394762317.db2.gz FZBLNQYFLKLTOZ-UHFFFAOYSA-N 2 1 299.422 2.233 20 0 CEADMP C[C@H]([NH2+]CCN1c2ccccc2C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422759871 394764315 /nfs/dbraw/zinc/76/43/15/394764315.db2.gz KHJUMLIHVPHYNE-IJEWVQPXSA-N 2 1 273.424 2.168 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(C(=O)OC)ccc1Cl ZINC000414844905 394766529 /nfs/dbraw/zinc/76/65/29/394766529.db2.gz RTTDQKNJZHJVFQ-SNVBAGLBSA-N 2 1 284.787 2.072 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000335453428 394767761 /nfs/dbraw/zinc/76/77/61/394767761.db2.gz UQDNFWSYJXGUDY-DLBZAZTESA-N 2 1 273.424 2.164 20 0 CEADMP COc1cc(C[NH2+]CC2([NH3+])CCCCC2)cc(OC)c1O ZINC000414846874 394768125 /nfs/dbraw/zinc/76/81/25/394768125.db2.gz TVYUATLFVUWNFB-UHFFFAOYSA-N 2 1 294.395 2.161 20 0 CEADMP CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422766271 394768627 /nfs/dbraw/zinc/76/86/27/394768627.db2.gz RDBPBNMRIZKKFK-SQNIBIBYSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422767417 394770237 /nfs/dbraw/zinc/77/02/37/394770237.db2.gz SBZBESUKKXMDHR-KFWWJZLASA-N 2 1 267.461 2.214 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCC2 ZINC000335489920 394771087 /nfs/dbraw/zinc/77/10/87/394771087.db2.gz YXIRIYFLWYVLKA-DOTOQJQBSA-N 2 1 274.408 2.341 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422770892 394773140 /nfs/dbraw/zinc/77/31/40/394773140.db2.gz QMTKPUDMVRETFW-LSVZVQIISA-N 2 1 265.445 2.124 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422770892 394773142 /nfs/dbraw/zinc/77/31/42/394773142.db2.gz QMTKPUDMVRETFW-LSVZVQIISA-N 3 1 265.445 2.124 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422770892 394773143 /nfs/dbraw/zinc/77/31/43/394773143.db2.gz QMTKPUDMVRETFW-LSVZVQIISA-N 3 1 265.445 2.124 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000361327650 394823364 /nfs/dbraw/zinc/82/33/64/394823364.db2.gz ZPAHNARMAYGBLA-LSDHHAIUSA-N 2 1 256.434 2.200 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422772042 394773597 /nfs/dbraw/zinc/77/35/97/394773597.db2.gz YADUQQAEDTUROF-QKPAOTATSA-N 2 1 281.488 2.331 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(Br)cn1)[C@H]1CCC[NH2+]C1 ZINC000414861798 394775896 /nfs/dbraw/zinc/77/58/96/394775896.db2.gz WUFNGWNTOXRTFW-QWRGUYRKSA-N 2 1 298.228 2.322 20 0 CEADMP Cc1ccc([C@H](CN[C@H](C)C[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000422778370 394777383 /nfs/dbraw/zinc/77/73/83/394777383.db2.gz HIJQTBIFPAUPQB-LZWOXQAQSA-N 2 1 263.429 2.313 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)Oc1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000422779527 394778617 /nfs/dbraw/zinc/77/86/17/394778617.db2.gz BWOOZUOAXKTFFA-YWPYICTPSA-N 2 1 266.360 2.323 20 0 CEADMP CCC[NH2+]CC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000414876270 394783074 /nfs/dbraw/zinc/78/30/74/394783074.db2.gz VPVYIYCQUQMYFE-ZDUSSCGKSA-N 2 1 250.386 2.215 20 0 CEADMP Cc1cccc(O[C@@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422790606 394788423 /nfs/dbraw/zinc/78/84/23/394788423.db2.gz PLRDBVZPTRMQRL-DZKIICNBSA-N 2 1 262.397 2.492 20 0 CEADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422791779 394789210 /nfs/dbraw/zinc/78/92/10/394789210.db2.gz DEYRROFDKLVGCO-GJZGRUSLSA-N 2 1 275.396 2.251 20 0 CEADMP Cc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000422791985 394789228 /nfs/dbraw/zinc/78/92/28/394789228.db2.gz WPORCJOMRCLXMZ-WFFDWFOESA-N 2 1 287.451 2.470 20 0 CEADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@H]2C[C@@H]2C)cc1 ZINC000414886907 394789429 /nfs/dbraw/zinc/78/94/29/394789429.db2.gz QCBCOTVPKCBCQP-YVVXQTMVSA-N 2 1 274.408 2.386 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000422792280 394790121 /nfs/dbraw/zinc/79/01/21/394790121.db2.gz WBFPXOZMLOOXLB-WBVHZDCISA-N 2 1 275.440 2.096 20 0 CEADMP Cc1ccccc1O[C@@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422794710 394791602 /nfs/dbraw/zinc/79/16/02/394791602.db2.gz URCHDTUUYZDVJH-ZNMIVQPWSA-N 2 1 262.397 2.492 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000414892015 394791660 /nfs/dbraw/zinc/79/16/60/394791660.db2.gz IUAMYBSPGFCIRJ-LBPRGKRZSA-N 2 1 274.286 2.412 20 0 CEADMP COc1ccsc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414896029 394793488 /nfs/dbraw/zinc/79/34/88/394793488.db2.gz ARTXBOGTWHFOQY-CYBMUJFWSA-N 2 1 254.399 2.236 20 0 CEADMP C[C@H](NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422800900 394795909 /nfs/dbraw/zinc/79/59/09/394795909.db2.gz DFGIUUMZDDERIQ-QEJZJMRPSA-N 2 1 281.469 2.471 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C12CCCC2 ZINC000422803194 394797297 /nfs/dbraw/zinc/79/72/97/394797297.db2.gz IIEMTYWJMKJGFT-APIJFGDWSA-N 2 1 266.429 2.312 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)NCCC[N@H+]1CCc2ccccc2C1 ZINC000422802515 394797398 /nfs/dbraw/zinc/79/73/98/394797398.db2.gz DLQQSKZCPRJEMB-HUUCEWRRSA-N 2 1 275.440 2.150 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCN1CCc2ccccc2C1 ZINC000422802515 394797400 /nfs/dbraw/zinc/79/74/00/394797400.db2.gz DLQQSKZCPRJEMB-HUUCEWRRSA-N 2 1 275.440 2.150 20 0 CEADMP COc1ccc(OC)c(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422805617 394799401 /nfs/dbraw/zinc/79/94/01/394799401.db2.gz MGZPLNZLLREPNK-IUODEOHRSA-N 2 1 278.396 2.182 20 0 CEADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+](CC[NH3+])CCO ZINC000414915491 394801661 /nfs/dbraw/zinc/80/16/61/394801661.db2.gz QMWAAIPPOQIJQI-HNNXBMFYSA-N 2 1 292.467 2.416 20 0 CEADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](CC[NH3+])CCO ZINC000414915491 394801667 /nfs/dbraw/zinc/80/16/67/394801667.db2.gz QMWAAIPPOQIJQI-HNNXBMFYSA-N 2 1 292.467 2.416 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](CC(C)C)[NH+](C)C ZINC000422815484 394807169 /nfs/dbraw/zinc/80/71/69/394807169.db2.gz BWVJYODNWKOWLH-XJKSGUPXSA-N 2 1 292.471 2.476 20 0 CEADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)C[NH3+])cc1Cl ZINC000414927205 394807585 /nfs/dbraw/zinc/80/75/85/394807585.db2.gz LRIPJWDLLHXKLR-WDEREUQCSA-N 2 1 283.803 2.302 20 0 CEADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000414932406 394809275 /nfs/dbraw/zinc/80/92/75/394809275.db2.gz RAMXRUOWPRNYAI-YJNKXOJESA-N 2 1 254.418 2.025 20 0 CEADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000414932399 394809382 /nfs/dbraw/zinc/80/93/82/394809382.db2.gz RAMXRUOWPRNYAI-KBXIAJHMSA-N 2 1 254.418 2.025 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414940350 394812893 /nfs/dbraw/zinc/81/28/93/394812893.db2.gz XQGXFGSZZRENAF-VNHYZAJKSA-N 2 1 262.397 2.214 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC[NH2+]1 ZINC000414943876 394815226 /nfs/dbraw/zinc/81/52/26/394815226.db2.gz FWIQOJHWLISIQS-IUODEOHRSA-N 2 1 288.370 2.242 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC[NH2+]1 ZINC000414943878 394815310 /nfs/dbraw/zinc/81/53/10/394815310.db2.gz FWIQOJHWLISIQS-SWLSCSKDSA-N 2 1 288.370 2.242 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cccnc1 ZINC000422834768 394818723 /nfs/dbraw/zinc/81/87/23/394818723.db2.gz OEQXNWNMHCXEOO-VNQPRFMTSA-N 2 1 261.413 2.409 20 0 CEADMP CC1CCC(CN2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000336028393 394819091 /nfs/dbraw/zinc/81/90/91/394819091.db2.gz BGBDLYDDGQKYIX-CKUJCDMFSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@H]([NH2+]CCCOC1CCCC1)c1c[nH+]ccc1N ZINC000422836118 394820049 /nfs/dbraw/zinc/82/00/49/394820049.db2.gz ZUDZZDQFVBAVER-LBPRGKRZSA-N 2 1 263.385 2.494 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414952413 394821850 /nfs/dbraw/zinc/82/18/50/394821850.db2.gz QRSNBXASZGQQNB-BURFUSLBSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414952413 394821853 /nfs/dbraw/zinc/82/18/53/394821853.db2.gz QRSNBXASZGQQNB-BURFUSLBSA-N 2 1 287.451 2.237 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000415047242 394862579 /nfs/dbraw/zinc/86/25/79/394862579.db2.gz VWUQIEFMPRYZIR-MRXNPFEDSA-N 2 1 274.408 2.284 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415050865 394864624 /nfs/dbraw/zinc/86/46/24/394864624.db2.gz DGWJBZHLPYWHML-MLGOLLRUSA-N 2 1 275.396 2.062 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000336561946 394864907 /nfs/dbraw/zinc/86/49/07/394864907.db2.gz YRWZSFVDAFKRBF-IRXDYDNUSA-N 2 1 274.408 2.110 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000336561946 394864910 /nfs/dbraw/zinc/86/49/10/394864910.db2.gz YRWZSFVDAFKRBF-IRXDYDNUSA-N 2 1 274.408 2.110 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c(F)c1 ZINC000422928448 394865290 /nfs/dbraw/zinc/86/52/90/394865290.db2.gz KPOUKJTYTNVVGP-XHDPSFHLSA-N 2 1 266.360 2.312 20 0 CEADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc2c1OCO2 ZINC000415052300 394866442 /nfs/dbraw/zinc/86/64/42/394866442.db2.gz NDWJCSGQGRSTPW-ZDUSSCGKSA-N 2 1 292.379 2.031 20 0 CEADMP C[C@H]([NH2+]CCOc1ccc(F)cc1)c1c[nH+]ccc1N ZINC000422947597 394869250 /nfs/dbraw/zinc/86/92/50/394869250.db2.gz YNOIXTDTCKZHEX-NSHDSACASA-N 2 1 275.327 2.363 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cn1 ZINC000415062769 394870802 /nfs/dbraw/zinc/87/08/02/394870802.db2.gz ZBKSECWQBHBZLU-RHSMWYFYSA-N 2 1 290.455 2.343 20 0 CEADMP Clc1cc(C[NH2+]CCC[NH2+]C2CC2)cc2c1OCCO2 ZINC000415064034 394871290 /nfs/dbraw/zinc/87/12/90/394871290.db2.gz BKYUBINFFPSEFL-UHFFFAOYSA-N 2 1 296.798 2.343 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC[NH2+]C1CC1 ZINC000415073936 394876033 /nfs/dbraw/zinc/87/60/33/394876033.db2.gz ZHQSZLPXRXCCOR-HIFRSBDPSA-N 3 1 253.434 2.029 20 0 CEADMP COc1cc(Cl)ccc1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415075398 394876936 /nfs/dbraw/zinc/87/69/36/394876936.db2.gz FANKQJJFTARDNB-CQSZACIVSA-N 2 1 268.788 2.438 20 0 CEADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CCCO3)CC[NH2+]2)cc1 ZINC000415076539 394878380 /nfs/dbraw/zinc/87/83/80/394878380.db2.gz CTXPNEOSUAFLDW-JYJNAYRXSA-N 2 1 260.381 2.248 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423010699 394879874 /nfs/dbraw/zinc/87/98/74/394879874.db2.gz HDSUGSYINSHTPR-SDADXPQNSA-N 2 1 261.413 2.147 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000423010699 394879875 /nfs/dbraw/zinc/87/98/75/394879875.db2.gz HDSUGSYINSHTPR-SDADXPQNSA-N 2 1 261.413 2.147 20 0 CEADMP C[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])[N@H+]1CCCC[C@H]1C ZINC000422853163 394830998 /nfs/dbraw/zinc/83/09/98/394830998.db2.gz BOFOBNZVYMHSEO-KLHDSHLOSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])N1CCCC[C@H]1C ZINC000422853163 394831000 /nfs/dbraw/zinc/83/10/00/394831000.db2.gz BOFOBNZVYMHSEO-KLHDSHLOSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000422861179 394834490 /nfs/dbraw/zinc/83/44/90/394834490.db2.gz MMVNLHWLZUPVGT-FPCVCCKLSA-N 3 1 267.461 2.356 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CNCC[C@@H]2C)C1 ZINC000422876000 394843391 /nfs/dbraw/zinc/84/33/91/394843391.db2.gz FRRFVSTZMCHSLR-YVSFHVDLSA-N 2 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422876000 394843395 /nfs/dbraw/zinc/84/33/95/394843395.db2.gz FRRFVSTZMCHSLR-YVSFHVDLSA-N 2 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422876000 394843399 /nfs/dbraw/zinc/84/33/99/394843399.db2.gz FRRFVSTZMCHSLR-YVSFHVDLSA-N 2 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422876000 394843403 /nfs/dbraw/zinc/84/34/03/394843403.db2.gz FRRFVSTZMCHSLR-YVSFHVDLSA-N 3 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422876000 394843405 /nfs/dbraw/zinc/84/34/05/394843405.db2.gz FRRFVSTZMCHSLR-YVSFHVDLSA-N 3 1 281.488 2.332 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422874831 394843508 /nfs/dbraw/zinc/84/35/08/394843508.db2.gz DIDNJKTWRJJOAO-PMPSAXMXSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422874831 394843510 /nfs/dbraw/zinc/84/35/10/394843510.db2.gz DIDNJKTWRJJOAO-PMPSAXMXSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422874831 394843512 /nfs/dbraw/zinc/84/35/12/394843512.db2.gz DIDNJKTWRJJOAO-PMPSAXMXSA-N 2 1 267.461 2.229 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422883657 394847928 /nfs/dbraw/zinc/84/79/28/394847928.db2.gz VISXBSSFTAEHIN-HUUCEWRRSA-N 2 1 274.412 2.041 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422885018 394848975 /nfs/dbraw/zinc/84/89/75/394848975.db2.gz SYWLHJVVDMSGEP-YYIAUSFCSA-N 2 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422885018 394848979 /nfs/dbraw/zinc/84/89/79/394848979.db2.gz SYWLHJVVDMSGEP-YYIAUSFCSA-N 3 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422885018 394848984 /nfs/dbraw/zinc/84/89/84/394848984.db2.gz SYWLHJVVDMSGEP-YYIAUSFCSA-N 3 1 281.488 2.332 20 0 CEADMP Cc1nc(C)c(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)s1 ZINC000422891374 394852729 /nfs/dbraw/zinc/85/27/29/394852729.db2.gz VFKVVPHBPWMIFA-MFKMUULPSA-N 2 1 267.442 2.423 20 0 CEADMP Cc1nc(C)c(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)s1 ZINC000422892936 394852847 /nfs/dbraw/zinc/85/28/47/394852847.db2.gz ZUNZPVKDSFTVRF-VIFPVBQESA-N 2 1 276.409 2.461 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000128480861 394854900 /nfs/dbraw/zinc/85/49/00/394854900.db2.gz VRQBZGUZLOXXIE-VHDGCEQUSA-N 2 1 260.381 2.440 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000128480861 394854904 /nfs/dbraw/zinc/85/49/04/394854904.db2.gz VRQBZGUZLOXXIE-VHDGCEQUSA-N 2 1 260.381 2.440 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CCC[C@H]2[NH3+])C1 ZINC000422902837 394855893 /nfs/dbraw/zinc/85/58/93/394855893.db2.gz DRWJVPNZHMXEPP-KFWWJZLASA-N 3 1 267.461 2.356 20 0 CEADMP CCCCOc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC000415035326 394857708 /nfs/dbraw/zinc/85/77/08/394857708.db2.gz KLQYRONGXURQOF-HALDLXJZSA-N 2 1 290.407 2.182 20 0 CEADMP CC(C)COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415040462 394859438 /nfs/dbraw/zinc/85/94/38/394859438.db2.gz OJJXWVKRVVUVPG-QGZVFWFLSA-N 2 1 292.423 2.190 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+](C)Cc1ccccc1 ZINC000422911856 394859491 /nfs/dbraw/zinc/85/94/91/394859491.db2.gz UOGIXCQXRUYEIC-QTXGHNMQSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)Cc1ccccc1 ZINC000422911856 394859493 /nfs/dbraw/zinc/85/94/93/394859493.db2.gz UOGIXCQXRUYEIC-QTXGHNMQSA-N 2 1 287.451 2.380 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422913737 394860385 /nfs/dbraw/zinc/86/03/85/394860385.db2.gz QQENUCIADDOZOW-AWEZNQCLSA-N 3 1 275.440 2.224 20 0 CEADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)C2C[NH2+]C2)c1 ZINC000422913737 394860387 /nfs/dbraw/zinc/86/03/87/394860387.db2.gz QQENUCIADDOZOW-AWEZNQCLSA-N 2 1 275.440 2.224 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)C2C[NH2+]C2)c1 ZINC000422913737 394860389 /nfs/dbraw/zinc/86/03/89/394860389.db2.gz QQENUCIADDOZOW-AWEZNQCLSA-N 2 1 275.440 2.224 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000423245082 394888890 /nfs/dbraw/zinc/88/88/90/394888890.db2.gz YCDJESDQKQSDTB-YESZJQIVSA-N 2 1 273.424 2.164 20 0 CEADMP Cc1cc(N[C@H]2C[N@H+](C)Cc3ccccc32)cc[nH+]1 ZINC000364352352 394893748 /nfs/dbraw/zinc/89/37/48/394893748.db2.gz KFFUCEBTUQVOOV-INIZCTEOSA-N 2 1 253.349 2.411 20 0 CEADMP C(C[NH2+]C1CC1)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423570012 394953300 /nfs/dbraw/zinc/95/33/00/394953300.db2.gz WOXKPMCVQKCVQA-BZUAXINKSA-N 3 1 265.445 2.029 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)CCO1 ZINC000415125520 394897783 /nfs/dbraw/zinc/89/77/83/394897783.db2.gz LJJLATDQZANCNE-GBJTYRQASA-N 2 1 254.418 2.108 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130947027 394900308 /nfs/dbraw/zinc/90/03/08/394900308.db2.gz MRXDJFAUAWAYFV-ZDUSSCGKSA-N 2 1 294.443 2.207 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130947027 394900312 /nfs/dbraw/zinc/90/03/12/394900312.db2.gz MRXDJFAUAWAYFV-ZDUSSCGKSA-N 2 1 294.443 2.207 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423363126 394901067 /nfs/dbraw/zinc/90/10/67/394901067.db2.gz BMLZFMGMOWUYRZ-BGTYHANMSA-N 2 1 287.451 2.410 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000423363126 394901072 /nfs/dbraw/zinc/90/10/72/394901072.db2.gz BMLZFMGMOWUYRZ-BGTYHANMSA-N 2 1 287.451 2.410 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000415140881 394902267 /nfs/dbraw/zinc/90/22/67/394902267.db2.gz ZQWPDAGUQOKZCN-UHFFFAOYSA-N 2 1 276.359 2.257 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000415140881 394902268 /nfs/dbraw/zinc/90/22/68/394902268.db2.gz ZQWPDAGUQOKZCN-UHFFFAOYSA-N 2 1 276.359 2.257 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000423367005 394902393 /nfs/dbraw/zinc/90/23/93/394902393.db2.gz YCDUPLQEERNFAS-CABCVRRESA-N 2 1 295.471 2.001 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000133641244 394954265 /nfs/dbraw/zinc/95/42/65/394954265.db2.gz DGNUPNDHXMIVDT-IIYDPXPESA-N 2 1 258.409 2.472 20 0 CEADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](C)[NH3+] ZINC000423374581 394905585 /nfs/dbraw/zinc/90/55/85/394905585.db2.gz XEUXMXMDACVSGC-XFIYOXNOSA-N 2 1 297.487 2.088 20 0 CEADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](C)[NH3+] ZINC000423374577 394906001 /nfs/dbraw/zinc/90/60/01/394906001.db2.gz XEUXMXMDACVSGC-NPJQDHAYSA-N 2 1 297.487 2.088 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000364476423 394908210 /nfs/dbraw/zinc/90/82/10/394908210.db2.gz DRDNRRHZYGPIMI-HOTGVXAUSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000423391846 394911794 /nfs/dbraw/zinc/91/17/94/394911794.db2.gz LENHZQMTLXECFV-MBNYWOFBSA-N 2 1 250.390 2.113 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c(OC)c1 ZINC000423400072 394915733 /nfs/dbraw/zinc/91/57/33/394915733.db2.gz WJPODSQYECVWDL-FRRDWIJNSA-N 2 1 278.396 2.495 20 0 CEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2c(s1)CCCC2 ZINC000423422132 394919139 /nfs/dbraw/zinc/91/91/39/394919139.db2.gz CWQQICQDTADQJW-APAOZMKASA-N 2 1 262.422 2.495 20 0 CEADMP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423484640 394931073 /nfs/dbraw/zinc/93/10/73/394931073.db2.gz AFAZRBSIIDHEBJ-HOTGVXAUSA-N 2 1 262.397 2.496 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1ccc(OC)c2F ZINC000423484621 394931157 /nfs/dbraw/zinc/93/11/57/394931157.db2.gz YQODHGATLPXFNW-BXKDBHETSA-N 2 1 252.333 2.149 20 0 CEADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C1 ZINC000423498747 394936075 /nfs/dbraw/zinc/93/60/75/394936075.db2.gz BYKBVASZNBPYIO-ARFHVFGLSA-N 2 1 267.461 2.085 20 0 CEADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C1 ZINC000423503326 394938142 /nfs/dbraw/zinc/93/81/42/394938142.db2.gz FLEACIDCTFZLET-OWCLPIDISA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1nncn1C ZINC000340232985 394981734 /nfs/dbraw/zinc/98/17/34/394981734.db2.gz VWFLWLFVUQZJJN-IMJJTQAJSA-N 2 1 299.422 2.301 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000340284420 394983278 /nfs/dbraw/zinc/98/32/78/394983278.db2.gz UVUMVTYLPLSKEU-CVEARBPZSA-N 2 1 267.461 2.275 20 0 CEADMP Cc1cc(N2CCC[N@H+]([C@@H](C)CO)CC2)c2ccccc2[nH+]1 ZINC000368974033 394995016 /nfs/dbraw/zinc/99/50/16/394995016.db2.gz MZSCVXWRIRGTRI-HNNXBMFYSA-N 2 1 299.418 2.436 20 0 CEADMP CN(CC(=O)Nc1ccccc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000152381419 394995328 /nfs/dbraw/zinc/99/53/28/394995328.db2.gz WFHYVYJBWXEISH-ZDUSSCGKSA-N 2 1 293.386 2.038 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC23CCC3)CC1 ZINC000369226529 394996727 /nfs/dbraw/zinc/99/67/27/394996727.db2.gz VNUUZGQUVKNEBD-UHFFFAOYSA-N 2 1 279.472 2.421 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000415921677 394978973 /nfs/dbraw/zinc/97/89/73/394978973.db2.gz MOQTYBJMZYSONM-GXTWGEPZSA-N 2 1 290.411 2.010 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000340119015 394979133 /nfs/dbraw/zinc/97/91/33/394979133.db2.gz DYMKCBJEQHNBDA-BZUAXINKSA-N 2 1 295.471 2.132 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000423764951 394979808 /nfs/dbraw/zinc/97/98/08/394979808.db2.gz UECFHAGXPJBLQC-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCCn3cccn3)CC[C@@H]21 ZINC000158830906 395054811 /nfs/dbraw/zinc/05/48/11/395054811.db2.gz SNWWCFPUBDMBNU-SJORKVTESA-N 2 1 290.455 2.470 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCCn3cccn3)CC[C@@H]21 ZINC000158830906 395054813 /nfs/dbraw/zinc/05/48/13/395054813.db2.gz SNWWCFPUBDMBNU-SJORKVTESA-N 2 1 290.455 2.470 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCCn3cccn3)CC[C@@H]21 ZINC000158830906 395054819 /nfs/dbraw/zinc/05/48/19/395054819.db2.gz SNWWCFPUBDMBNU-SJORKVTESA-N 2 1 290.455 2.470 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cn1 ZINC000436234193 395100285 /nfs/dbraw/zinc/10/02/85/395100285.db2.gz XAADLZGSUGYETE-GFCCVEGCSA-N 2 1 274.368 2.021 20 0 CEADMP CCOC(C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)OCC ZINC000374075617 395071980 /nfs/dbraw/zinc/07/19/80/395071980.db2.gz VQLQKCYAVWPGDT-UHFFFAOYSA-N 2 1 284.444 2.193 20 0 CEADMP CC1CCC(O)(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000162814587 395078958 /nfs/dbraw/zinc/07/89/58/395078958.db2.gz NDRDAQDYYCSPAP-JCCCHCCOSA-N 2 1 280.456 2.344 20 0 CEADMP CC1CCC(O)(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000162814587 395078959 /nfs/dbraw/zinc/07/89/59/395078959.db2.gz NDRDAQDYYCSPAP-JCCCHCCOSA-N 2 1 280.456 2.344 20 0 CEADMP CC1CCC(O)(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000162814587 395078963 /nfs/dbraw/zinc/07/89/63/395078963.db2.gz NDRDAQDYYCSPAP-JCCCHCCOSA-N 2 1 280.456 2.344 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC000346114622 395087885 /nfs/dbraw/zinc/08/78/85/395087885.db2.gz PCXHEAFTEMWZPK-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)OC(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173781004 395115783 /nfs/dbraw/zinc/11/57/83/395115783.db2.gz YDJMIJBAHXRBLA-HNNXBMFYSA-N 2 1 282.428 2.278 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173781004 395115786 /nfs/dbraw/zinc/11/57/86/395115786.db2.gz YDJMIJBAHXRBLA-HNNXBMFYSA-N 2 1 282.428 2.278 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C[NH2+]C)C2)CCO1 ZINC000347017080 395117913 /nfs/dbraw/zinc/11/79/13/395117913.db2.gz DGVPFEHVZDCGKL-RBSFLKMASA-N 2 1 254.418 2.123 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](CCO)Cc1cccc(F)c1 ZINC000494251636 395103709 /nfs/dbraw/zinc/10/37/09/395103709.db2.gz RMWDUPMMYJAABA-UHFFFAOYSA-N 2 1 291.370 2.215 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494251636 395103710 /nfs/dbraw/zinc/10/37/10/395103710.db2.gz RMWDUPMMYJAABA-UHFFFAOYSA-N 2 1 291.370 2.215 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000348207291 395138214 /nfs/dbraw/zinc/13/82/14/395138214.db2.gz OSTQNCKPJIMDJG-MQYQWHSLSA-N 2 1 256.459 2.448 20 0 CEADMP Cc1ncc(C[NH2+]C[C@H](C)C[NH+](C)C)n1-c1ccccc1 ZINC000291680242 395151452 /nfs/dbraw/zinc/15/14/52/395151452.db2.gz HNVRCALWESOSGF-AWEZNQCLSA-N 2 1 286.423 2.468 20 0 CEADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)n(C)n1 ZINC000417888054 395158944 /nfs/dbraw/zinc/15/89/44/395158944.db2.gz ZMKHHKMMKIORHN-CQSZACIVSA-N 2 1 278.444 2.330 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H](OC)c2ccccc2)CC[C@@H]1[NH3+] ZINC000379242468 395162070 /nfs/dbraw/zinc/16/20/70/395162070.db2.gz XMGVCIGLDZNTDU-VNQPRFMTSA-N 2 1 262.397 2.433 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000349054718 395157326 /nfs/dbraw/zinc/15/73/26/395157326.db2.gz GSBUXKZQKJUQGU-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000349054718 395157331 /nfs/dbraw/zinc/15/73/31/395157331.db2.gz GSBUXKZQKJUQGU-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000349054718 395157333 /nfs/dbraw/zinc/15/73/33/395157333.db2.gz GSBUXKZQKJUQGU-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+](C)C ZINC000350122361 395180871 /nfs/dbraw/zinc/18/08/71/395180871.db2.gz IVLMOGIHSISRLB-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000397889391 395229357 /nfs/dbraw/zinc/22/93/57/395229357.db2.gz OYTGGKFBKKEJHV-UONOGXRCSA-N 2 1 299.459 2.221 20 0 CEADMP C[C@H]([NH2+][C@H]1CCO[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183188171 395253316 /nfs/dbraw/zinc/25/33/16/395253316.db2.gz RJBPVMUAYJKCCT-AYDFFVQHSA-N 2 1 266.429 2.406 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000352052631 395244754 /nfs/dbraw/zinc/24/47/54/395244754.db2.gz MVHNTRBSYTUHJJ-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CCN(C[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000382763455 395183596 /nfs/dbraw/zinc/18/35/96/395183596.db2.gz OINJUNXAAPAKLQ-AEFFLSMTSA-N 2 1 287.451 2.192 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC[NH+](C2CCCC2)CC1 ZINC000179249495 395187307 /nfs/dbraw/zinc/18/73/07/395187307.db2.gz YBCXEJIIIPBBMA-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000179249495 395187311 /nfs/dbraw/zinc/18/73/11/395187311.db2.gz YBCXEJIIIPBBMA-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CCC[N@H+](C2CCCC2)CC1 ZINC000179249495 395187312 /nfs/dbraw/zinc/18/73/12/395187312.db2.gz YBCXEJIIIPBBMA-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC23CCCC3)CCOCC1 ZINC000189124107 289059742 /nfs/dbraw/zinc/05/97/42/289059742.db2.gz PDSCARDWXOSVMH-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000394429360 395205417 /nfs/dbraw/zinc/20/54/17/395205417.db2.gz VMTQNZQPRRLIMF-KRWDZBQOSA-N 2 1 298.434 2.492 20 0 CEADMP C(C[C@H]1CCOC1)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000438178091 395209491 /nfs/dbraw/zinc/20/94/91/395209491.db2.gz OEGUEWZTLCJLIG-HOTGVXAUSA-N 2 1 266.429 2.267 20 0 CEADMP C(C[C@H]1CCOC1)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000438178091 395209496 /nfs/dbraw/zinc/20/94/96/395209496.db2.gz OEGUEWZTLCJLIG-HOTGVXAUSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)[C@H]1CCCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000395944097 395214504 /nfs/dbraw/zinc/21/45/04/395214504.db2.gz CHBFPVFSGQQMIC-LLVKDONJSA-N 2 1 266.389 2.274 20 0 CEADMP CC[C@H](F)CN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440536979 395325170 /nfs/dbraw/zinc/32/51/70/395325170.db2.gz OOKZXHVUJOIRBP-DLBZAZTESA-N 2 1 294.414 2.303 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323596 395325621 /nfs/dbraw/zinc/32/56/21/395325621.db2.gz GFQZCFPQGSHUMM-JKSUJKDBSA-N 3 1 267.461 2.040 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420322335 395325799 /nfs/dbraw/zinc/32/57/99/395325799.db2.gz DRUUOHXMYAWXRI-OLZOCXBDSA-N 2 1 294.361 2.277 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2SC)C1 ZINC000420283430 395293468 /nfs/dbraw/zinc/29/34/68/395293468.db2.gz CFNWRMFDYOOSFR-LBPRGKRZSA-N 2 1 250.411 2.450 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCOCC(F)(F)C(F)F ZINC000420284661 395294848 /nfs/dbraw/zinc/29/48/48/395294848.db2.gz DDSRRHYVSLMHIY-JTQLQIEISA-N 2 1 288.329 2.209 20 0 CEADMP c1ccc(NC[C@@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000420322068 395325909 /nfs/dbraw/zinc/32/59/09/395325909.db2.gz RZKYOSQDDCWCTC-HOTGVXAUSA-N 2 1 288.439 2.205 20 0 CEADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353389845 395297070 /nfs/dbraw/zinc/29/70/70/395297070.db2.gz XRNOKHANSALNCD-ZNMIVQPWSA-N 2 1 254.418 2.264 20 0 CEADMP CC[NH2+]CC1CCN(CCC[NH+](CC)CC)CC1 ZINC000420292845 395299682 /nfs/dbraw/zinc/29/96/82/395299682.db2.gz QDQHEXZIUGBXJK-UHFFFAOYSA-N 2 1 255.450 2.040 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C1(C(=O)OC)CCC1 ZINC000353546394 395301436 /nfs/dbraw/zinc/30/14/36/395301436.db2.gz VYNWREZNWRHVBX-UONOGXRCSA-N 2 1 282.428 2.040 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000353579338 395301680 /nfs/dbraw/zinc/30/16/80/395301680.db2.gz UMKNUUGYQNWNSL-ZDUSSCGKSA-N 2 1 296.484 2.430 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000353579338 395301684 /nfs/dbraw/zinc/30/16/84/395301684.db2.gz UMKNUUGYQNWNSL-ZDUSSCGKSA-N 2 1 296.484 2.430 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)s1 ZINC000420295734 395302835 /nfs/dbraw/zinc/30/28/35/395302835.db2.gz WACHHEQCYJWWIX-PWSUYJOCSA-N 2 1 296.436 2.402 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)s1 ZINC000420295734 395302841 /nfs/dbraw/zinc/30/28/41/395302841.db2.gz WACHHEQCYJWWIX-PWSUYJOCSA-N 2 1 296.436 2.402 20 0 CEADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000420298477 395304266 /nfs/dbraw/zinc/30/42/66/395304266.db2.gz HENLVKAXJYDNQU-IAGOWNOFSA-N 2 1 287.451 2.078 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420305887 395310650 /nfs/dbraw/zinc/31/06/50/395310650.db2.gz KPGCYVSXPINXOA-IPYPFGDCSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420305887 395310652 /nfs/dbraw/zinc/31/06/52/395310652.db2.gz KPGCYVSXPINXOA-IPYPFGDCSA-N 2 1 289.423 2.245 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000354006556 395313152 /nfs/dbraw/zinc/31/31/52/395313152.db2.gz TWVLMVKVUKXWNB-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP C[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420309441 395313109 /nfs/dbraw/zinc/31/31/09/395313109.db2.gz TXUYOYPNDOGORF-FSDCSDTHSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420309441 395313110 /nfs/dbraw/zinc/31/31/10/395313110.db2.gz TXUYOYPNDOGORF-FSDCSDTHSA-N 2 1 276.424 2.038 20 0 CEADMP Cc1cccc([C@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)c1C ZINC000420309464 395313476 /nfs/dbraw/zinc/31/34/76/395313476.db2.gz TYUGHGMUQRYCHO-GOSISDBHSA-N 2 1 287.451 2.346 20 0 CEADMP CC(C)CN(C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])C(C)C ZINC000420310838 395314986 /nfs/dbraw/zinc/31/49/86/395314986.db2.gz GXMVEEUZOYGAMV-OAHLLOKOSA-N 2 1 283.460 2.083 20 0 CEADMP CC(C)CN(C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])C(C)C ZINC000420310838 395314990 /nfs/dbraw/zinc/31/49/90/395314990.db2.gz GXMVEEUZOYGAMV-OAHLLOKOSA-N 2 1 283.460 2.083 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000420319493 395322571 /nfs/dbraw/zinc/32/25/71/395322571.db2.gz PPVFBSJEMWAJOG-LSDHHAIUSA-N 2 1 290.407 2.148 20 0 CEADMP COC(=O)[C@H](c1ccsc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420317995 395322677 /nfs/dbraw/zinc/32/26/77/395322677.db2.gz VHJFNYHVPVAVLS-AAEUAGOBSA-N 2 1 282.409 2.023 20 0 CEADMP COC(=O)[C@H](c1ccsc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420317995 395322678 /nfs/dbraw/zinc/32/26/78/395322678.db2.gz VHJFNYHVPVAVLS-AAEUAGOBSA-N 2 1 282.409 2.023 20 0 CEADMP CO[C@H](Cc1ccccc1)C[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000522010722 395258284 /nfs/dbraw/zinc/25/82/84/395258284.db2.gz FMFKWZOUVWEGGT-RCCFBDPRSA-N 2 1 288.435 2.413 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420321669 395323238 /nfs/dbraw/zinc/32/32/38/395323238.db2.gz RLCXPRPNECPTKB-MELADBBJSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420321669 395323242 /nfs/dbraw/zinc/32/32/42/395323242.db2.gz RLCXPRPNECPTKB-MELADBBJSA-N 2 1 289.423 2.245 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000352526374 395261464 /nfs/dbraw/zinc/26/14/64/395261464.db2.gz MZUORRBFPGRITO-BZUAXINKSA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+]C[C@H]([NH2+]CC[C@H]1CCCCO1)C1CCCCC1 ZINC000420371368 395356712 /nfs/dbraw/zinc/35/67/12/395356712.db2.gz PJKYRXLKPIAFIN-CABCVRRESA-N 2 1 254.418 2.443 20 0 CEADMP CN(C)c1ncc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000355206193 395365041 /nfs/dbraw/zinc/36/50/41/395365041.db2.gz LKVBUDSFMULJQJ-GXTWGEPZSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000355206193 395365043 /nfs/dbraw/zinc/36/50/43/395365043.db2.gz LKVBUDSFMULJQJ-GXTWGEPZSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000355206193 395365045 /nfs/dbraw/zinc/36/50/45/395365045.db2.gz LKVBUDSFMULJQJ-GXTWGEPZSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000355206193 395365048 /nfs/dbraw/zinc/36/50/48/395365048.db2.gz LKVBUDSFMULJQJ-GXTWGEPZSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000355206193 395365050 /nfs/dbraw/zinc/36/50/50/395365050.db2.gz LKVBUDSFMULJQJ-GXTWGEPZSA-N 2 1 294.468 2.125 20 0 CEADMP c1csc(C[N@H+](CC2CC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435431846 395366704 /nfs/dbraw/zinc/36/67/04/395366704.db2.gz GHNSMKGXWSOMNP-CYBMUJFWSA-N 2 1 277.437 2.497 20 0 CEADMP C[N@@H+](CCOCCOc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435623138 395378722 /nfs/dbraw/zinc/37/87/22/395378722.db2.gz GGFOKGNUTBQIPU-MRXNPFEDSA-N 2 1 292.423 2.156 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCCCC1CCCCC1 ZINC000442779011 395395001 /nfs/dbraw/zinc/39/50/01/395395001.db2.gz LIFIIFUSTUEHLC-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCCCC1CCCCC1 ZINC000442779011 395395002 /nfs/dbraw/zinc/39/50/02/395395002.db2.gz LIFIIFUSTUEHLC-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP CN(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420329439 395331421 /nfs/dbraw/zinc/33/14/21/395331421.db2.gz GUJLZXCCMKNNHZ-IYBDPMFKSA-N 2 1 273.424 2.054 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336649 395334566 /nfs/dbraw/zinc/33/45/66/395334566.db2.gz WAZDPOUKVXVRTD-UONOGXRCSA-N 2 1 279.453 2.316 20 0 CEADMP C[NH2+]CCCN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000420353179 395340921 /nfs/dbraw/zinc/34/09/21/395340921.db2.gz BHXQLHRVGRWVNI-CQSZACIVSA-N 2 1 279.403 2.114 20 0 CEADMP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000420357132 395344606 /nfs/dbraw/zinc/34/46/06/395344606.db2.gz HOOXKHRKJHGRLU-HNNXBMFYSA-N 2 1 268.376 2.430 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000420363950 395349884 /nfs/dbraw/zinc/34/98/84/395349884.db2.gz QEGQMPOWYXORPP-JTQLQIEISA-N 2 1 290.333 2.217 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000420363950 395349886 /nfs/dbraw/zinc/34/98/86/395349886.db2.gz QEGQMPOWYXORPP-JTQLQIEISA-N 2 1 290.333 2.217 20 0 CEADMP C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000435140142 395351003 /nfs/dbraw/zinc/35/10/03/395351003.db2.gz YUCGRWYXKPPDOR-CYBMUJFWSA-N 2 1 288.395 2.443 20 0 CEADMP C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000435140142 395351005 /nfs/dbraw/zinc/35/10/05/395351005.db2.gz YUCGRWYXKPPDOR-CYBMUJFWSA-N 2 1 288.395 2.443 20 0 CEADMP C[NH+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000435140142 395351007 /nfs/dbraw/zinc/35/10/07/395351007.db2.gz YUCGRWYXKPPDOR-CYBMUJFWSA-N 2 1 288.395 2.443 20 0 CEADMP C[NH+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000435140142 395351011 /nfs/dbraw/zinc/35/10/11/395351011.db2.gz YUCGRWYXKPPDOR-CYBMUJFWSA-N 2 1 288.395 2.443 20 0 CEADMP Cc1cccc(OCC[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000420364987 395352304 /nfs/dbraw/zinc/35/23/04/395352304.db2.gz PSILOVVIVOECQY-CQSZACIVSA-N 2 1 250.386 2.337 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444716042 395448808 /nfs/dbraw/zinc/44/88/08/395448808.db2.gz IRVBUFKKRSTBIF-XQQFMLRXSA-N 2 1 294.361 2.106 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444716042 395448809 /nfs/dbraw/zinc/44/88/09/395448809.db2.gz IRVBUFKKRSTBIF-XQQFMLRXSA-N 2 1 294.361 2.106 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444716042 395448811 /nfs/dbraw/zinc/44/88/11/395448811.db2.gz IRVBUFKKRSTBIF-XQQFMLRXSA-N 2 1 294.361 2.106 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444716042 395448812 /nfs/dbraw/zinc/44/88/12/395448812.db2.gz IRVBUFKKRSTBIF-XQQFMLRXSA-N 2 1 294.361 2.106 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3C[C@@H](O)C3)C2)CC1 ZINC000420900507 395433309 /nfs/dbraw/zinc/43/33/09/395433309.db2.gz ICRYQTZUVWQKGP-YESZJQIVSA-N 2 1 280.456 2.201 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCN3CCC3)CC23CC3)cc1 ZINC000566216283 395505925 /nfs/dbraw/zinc/50/59/25/395505925.db2.gz YWXCXGRUMDXISR-SFHVURJKSA-N 2 1 299.462 2.479 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCN3CCC3)CC23CC3)cc1 ZINC000566216283 395505928 /nfs/dbraw/zinc/50/59/28/395505928.db2.gz YWXCXGRUMDXISR-SFHVURJKSA-N 2 1 299.462 2.479 20 0 CEADMP COc1c(C)cnc(CN2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000566416027 395519780 /nfs/dbraw/zinc/51/97/80/395519780.db2.gz HRRJRSIGZNVXQO-UHFFFAOYSA-N 2 1 277.412 2.233 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000566416027 395519788 /nfs/dbraw/zinc/51/97/88/395519788.db2.gz HRRJRSIGZNVXQO-UHFFFAOYSA-N 2 1 277.412 2.233 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+]CCC[NH+]2CCC2)cn1 ZINC000566473127 395529033 /nfs/dbraw/zinc/52/90/33/395529033.db2.gz GKLXDWOTMGTSAC-UHFFFAOYSA-N 2 1 276.428 2.112 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000566481146 395529889 /nfs/dbraw/zinc/52/98/89/395529889.db2.gz AGYITNDJEXOLFR-RBSFLKMASA-N 2 1 267.461 2.356 20 0 CEADMP Cc1[nH+]cc(CNC[C@]2([NH+](C)C)CCC[C@H](C)C2)n1C ZINC000566496573 395531011 /nfs/dbraw/zinc/53/10/11/395531011.db2.gz JOYCXEZJNMTUIM-BBRMVZONSA-N 2 1 278.444 2.329 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000567896078 395540333 /nfs/dbraw/zinc/54/03/33/395540333.db2.gz MMPJJWKGCWMJEC-CVEARBPZSA-N 2 1 259.397 2.355 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000567896078 395540334 /nfs/dbraw/zinc/54/03/34/395540334.db2.gz MMPJJWKGCWMJEC-CVEARBPZSA-N 2 1 259.397 2.355 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000567896078 395540336 /nfs/dbraw/zinc/54/03/36/395540336.db2.gz MMPJJWKGCWMJEC-CVEARBPZSA-N 2 1 259.397 2.355 20 0 CEADMP Cc1cccc2oc(CC[NH2+][C@@H]3CCC[C@H]3[NH3+])nc21 ZINC000565651946 395479703 /nfs/dbraw/zinc/47/97/03/395479703.db2.gz VPHIHZWTRLYWBQ-VXGBXAGGSA-N 2 1 259.353 2.148 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc3c(n2)CCC3)C1 ZINC000565760695 395483325 /nfs/dbraw/zinc/48/33/25/395483325.db2.gz HECLDGDJMLLTTM-CQSZACIVSA-N 2 1 273.424 2.344 20 0 CEADMP C[C@@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1C ZINC000446909426 395501955 /nfs/dbraw/zinc/50/19/55/395501955.db2.gz YOYRNQWNYYXTQJ-DGCLKSJQSA-N 2 1 295.452 2.022 20 0 CEADMP CC(C)[C@H]1[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC1(C)C ZINC000573625602 395612408 /nfs/dbraw/zinc/61/24/08/395612408.db2.gz OPSPQIYTLICYSS-ZIAGYGMSSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[C@H]1[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC1(C)C ZINC000573625602 395612410 /nfs/dbraw/zinc/61/24/10/395612410.db2.gz OPSPQIYTLICYSS-ZIAGYGMSSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[C@H]1[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1(C)C ZINC000573625602 395612411 /nfs/dbraw/zinc/61/24/11/395612411.db2.gz OPSPQIYTLICYSS-ZIAGYGMSSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[C@H]1[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1(C)C ZINC000573625602 395612412 /nfs/dbraw/zinc/61/24/12/395612412.db2.gz OPSPQIYTLICYSS-ZIAGYGMSSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000568647347 395564678 /nfs/dbraw/zinc/56/46/78/395564678.db2.gz QVDLUEVYTUIKCM-GJZGRUSLSA-N 3 1 255.450 2.355 20 0 CEADMP C[NH+](C)CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)C(C)(C)C ZINC000569214139 395575067 /nfs/dbraw/zinc/57/50/67/395575067.db2.gz OBFHGVRAFQBDNY-CMPLNLGQSA-N 2 1 284.366 2.256 20 0 CEADMP COc1cc(C)ccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000451174326 395588008 /nfs/dbraw/zinc/58/80/08/395588008.db2.gz WOARFTXIJVWLAN-ZDUSSCGKSA-N 2 1 250.386 2.291 20 0 CEADMP COc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1F ZINC000574530925 395631980 /nfs/dbraw/zinc/63/19/80/395631980.db2.gz IRIKRMDZUZPTSC-UHFFFAOYSA-N 2 1 252.333 2.020 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC2(CCCCC2)C1 ZINC000574887755 395639857 /nfs/dbraw/zinc/63/98/57/395639857.db2.gz BYDAFPHSHYFCIZ-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC2(CCCCC2)C1 ZINC000574887755 395639858 /nfs/dbraw/zinc/63/98/58/395639858.db2.gz BYDAFPHSHYFCIZ-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000574887755 395639859 /nfs/dbraw/zinc/63/98/59/395639859.db2.gz BYDAFPHSHYFCIZ-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000574887755 395639860 /nfs/dbraw/zinc/63/98/60/395639860.db2.gz BYDAFPHSHYFCIZ-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP COc1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482883 395720387 /nfs/dbraw/zinc/72/03/87/395720387.db2.gz FVFQYTIUDXASPO-UHFFFAOYSA-N 2 1 260.381 2.412 20 0 CEADMP c1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc2c1OCC2 ZINC000647483093 395720856 /nfs/dbraw/zinc/72/08/56/395720856.db2.gz YONIKZKCTMXSNZ-UHFFFAOYSA-N 2 1 272.392 2.338 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000647493482 395721110 /nfs/dbraw/zinc/72/11/10/395721110.db2.gz WJFZSBPYHYVMHK-ZDUSSCGKSA-N 2 1 288.395 2.030 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000647493482 395721112 /nfs/dbraw/zinc/72/11/12/395721112.db2.gz WJFZSBPYHYVMHK-ZDUSSCGKSA-N 2 1 288.395 2.030 20 0 CEADMP CC[C@H]1C[N@@H+](CCCc2ccc(C)nc2)CC[C@@H]1[NH3+] ZINC000647497312 395721913 /nfs/dbraw/zinc/72/19/13/395721913.db2.gz COUVFUJMQVIPMP-HOTGVXAUSA-N 2 1 261.413 2.382 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)CC[C@H]1[NH3+] ZINC000647498802 395722175 /nfs/dbraw/zinc/72/21/75/395722175.db2.gz RDOSHEBKZUSPEN-UONOGXRCSA-N 2 1 264.417 2.197 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)CC[C@H]1[NH3+] ZINC000647498802 395722177 /nfs/dbraw/zinc/72/21/77/395722177.db2.gz RDOSHEBKZUSPEN-UONOGXRCSA-N 2 1 264.417 2.197 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)nc1 ZINC000647498584 395722197 /nfs/dbraw/zinc/72/21/97/395722197.db2.gz KTYAAGZIEMFDIY-DOMZBBRYSA-N 2 1 263.385 2.040 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)nc1 ZINC000647498584 395722198 /nfs/dbraw/zinc/72/21/98/395722198.db2.gz KTYAAGZIEMFDIY-DOMZBBRYSA-N 2 1 263.385 2.040 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cccc3c2OCCCO3)CC[C@H]1[NH3+] ZINC000647498964 395722701 /nfs/dbraw/zinc/72/27/01/395722701.db2.gz VHHGUOSQEVHZAQ-DZGCQCFKSA-N 2 1 290.407 2.407 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc3c2OCCCO3)CC[C@H]1[NH3+] ZINC000647498964 395722703 /nfs/dbraw/zinc/72/27/03/395722703.db2.gz VHHGUOSQEVHZAQ-DZGCQCFKSA-N 2 1 290.407 2.407 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)CC[C@@H]1[NH3+] ZINC000647499113 395722894 /nfs/dbraw/zinc/72/28/94/395722894.db2.gz ZUFCMMMEDIFBIX-DOMZBBRYSA-N 2 1 285.391 2.500 20 0 CEADMP C(c1nc2c(s1)CCC2)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545810 395732123 /nfs/dbraw/zinc/73/21/23/395732123.db2.gz XWNVNZJVAAUMBY-STQMWFEESA-N 2 1 291.464 2.453 20 0 CEADMP COCC(C)(C)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543033 395730818 /nfs/dbraw/zinc/73/08/18/395730818.db2.gz GWLAIJSJNAMHSM-CABCVRRESA-N 2 1 268.445 2.371 20 0 CEADMP c1ccc2c(c1)ccnc2C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000647542467 395730913 /nfs/dbraw/zinc/73/09/13/395730913.db2.gz SAARYDDOPKNABW-HOCLYGCPSA-N 2 1 267.376 2.419 20 0 CEADMP c1ccc2c(c1)ccnc2C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000647542467 395730914 /nfs/dbraw/zinc/73/09/14/395730914.db2.gz SAARYDDOPKNABW-HOCLYGCPSA-N 2 1 267.376 2.419 20 0 CEADMP C([C@H]1CCSC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543462 395731683 /nfs/dbraw/zinc/73/16/83/395731683.db2.gz OBRNRNXMNSXZRD-RBSFLKMASA-N 2 1 268.470 2.451 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)[nH]c2c1 ZINC000647550110 395733212 /nfs/dbraw/zinc/73/32/12/395733212.db2.gz ADHNSLXPHWVPMV-BFHYXJOUSA-N 2 1 284.407 2.349 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](c3cccnc3)C2)CC[NH2+]1 ZINC000647552735 395734493 /nfs/dbraw/zinc/73/44/93/395734493.db2.gz UICJERJUFPDXSZ-YCPHGPKFSA-N 2 1 259.397 2.259 20 0 CEADMP C[N@H+](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000647784074 395753818 /nfs/dbraw/zinc/75/38/18/395753818.db2.gz HGCSCCNECVZNOX-ARFHVFGLSA-N 3 1 279.472 2.229 20 0 CEADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000647784074 395753821 /nfs/dbraw/zinc/75/38/21/395753821.db2.gz HGCSCCNECVZNOX-ARFHVFGLSA-N 3 1 279.472 2.229 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647793216 395755455 /nfs/dbraw/zinc/75/54/55/395755455.db2.gz PPNMFLLBBCYFLE-BRSBDYLESA-N 3 1 293.499 2.332 20 0 CEADMP CN(C)CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000647795350 395756234 /nfs/dbraw/zinc/75/62/34/395756234.db2.gz NZXIKCLYGQIETM-HRCADAONSA-N 2 1 279.472 2.086 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCc2ccccc21 ZINC000647957944 395784655 /nfs/dbraw/zinc/78/46/55/395784655.db2.gz XBDRHCZETGCYFU-WBVHZDCISA-N 2 1 276.424 2.307 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCc2ccccc21 ZINC000647957944 395784659 /nfs/dbraw/zinc/78/46/59/395784659.db2.gz XBDRHCZETGCYFU-WBVHZDCISA-N 2 1 276.424 2.307 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000647957944 395784660 /nfs/dbraw/zinc/78/46/60/395784660.db2.gz XBDRHCZETGCYFU-WBVHZDCISA-N 2 1 276.424 2.307 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000647957944 395784664 /nfs/dbraw/zinc/78/46/64/395784664.db2.gz XBDRHCZETGCYFU-WBVHZDCISA-N 2 1 276.424 2.307 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000647965980 395788550 /nfs/dbraw/zinc/78/85/50/395788550.db2.gz ZGOBJDHGRQMPRB-HRCADAONSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000647965980 395788553 /nfs/dbraw/zinc/78/85/53/395788553.db2.gz ZGOBJDHGRQMPRB-HRCADAONSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000647965980 395788555 /nfs/dbraw/zinc/78/85/55/395788555.db2.gz ZGOBJDHGRQMPRB-HRCADAONSA-N 2 1 268.445 2.201 20 0 CEADMP C[C@H]1CCC[C@@H](CC[N@@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000647835859 395761972 /nfs/dbraw/zinc/76/19/72/395761972.db2.gz SAPNFSOTMWCFQP-HOTGVXAUSA-N 2 1 267.461 2.040 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC([NH3+])(CC)CC ZINC000647848414 395763280 /nfs/dbraw/zinc/76/32/80/395763280.db2.gz QMNFQKHDWWKAPV-GFCCVEGCSA-N 2 1 280.416 2.030 20 0 CEADMP C[C@H](NC(=O)[C@H](C)[N@H+](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000647849567 395763384 /nfs/dbraw/zinc/76/33/84/395763384.db2.gz YJBDMNWCMKCRLI-RYUDHWBXSA-N 2 1 297.830 2.186 20 0 CEADMP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000647849567 395763385 /nfs/dbraw/zinc/76/33/85/395763385.db2.gz YJBDMNWCMKCRLI-RYUDHWBXSA-N 2 1 297.830 2.186 20 0 CEADMP O=C(c1ccccc1)C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647874412 395766749 /nfs/dbraw/zinc/76/67/49/395766749.db2.gz SXISTCCZXNAEFX-AWEZNQCLSA-N 2 1 272.392 2.191 20 0 CEADMP C[N@@H+](CCOc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000647873388 395766977 /nfs/dbraw/zinc/76/69/77/395766977.db2.gz DCIJEGNZFIMEDL-GFCCVEGCSA-N 2 1 268.788 2.260 20 0 CEADMP COCC[N@@H+](CCCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647882702 395768425 /nfs/dbraw/zinc/76/84/25/395768425.db2.gz RWZXBRPPYALVKJ-QGZVFWFLSA-N 2 1 276.424 2.177 20 0 CEADMP OCCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000647890088 395770101 /nfs/dbraw/zinc/77/01/01/395770101.db2.gz PATYXGLNZYXCND-YJBOKZPZSA-N 2 1 288.435 2.358 20 0 CEADMP NCC[N@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000647908502 395771271 /nfs/dbraw/zinc/77/12/71/395771271.db2.gz YAJSBGKFSKOJLV-UHFFFAOYSA-N 2 1 275.440 2.227 20 0 CEADMP NCC[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000647908502 395771272 /nfs/dbraw/zinc/77/12/72/395771272.db2.gz YAJSBGKFSKOJLV-UHFFFAOYSA-N 2 1 275.440 2.227 20 0 CEADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccsc2)CC1 ZINC000647908970 395771283 /nfs/dbraw/zinc/77/12/83/395771283.db2.gz CABMOQVEEKGZAU-UHFFFAOYSA-N 2 1 268.426 2.073 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CCO1 ZINC000648413280 395904409 /nfs/dbraw/zinc/90/44/09/395904409.db2.gz RGZCQIKFIDPKNZ-VHDGCEQUSA-N 2 1 265.401 2.375 20 0 CEADMP CCCN(C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[C@H]1CC[N@@H+](C)C1 ZINC000649001517 396039942 /nfs/dbraw/zinc/03/99/42/396039942.db2.gz NWRZHNUCBRWLLS-WCVJEAGWSA-N 2 1 295.471 2.190 20 0 CEADMP CCc1ccc(C[NH+]2CCN(C[C@H]3CC[NH2+]C3)CC2)s1 ZINC000649412016 396146551 /nfs/dbraw/zinc/14/65/51/396146551.db2.gz CMEKJZFTONETDY-AWEZNQCLSA-N 2 1 293.480 2.038 20 0 CEADMP Cc1ccccc1C[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649472082 396161805 /nfs/dbraw/zinc/16/18/05/396161805.db2.gz AWCLUOXXBBLNLI-GOSISDBHSA-N 2 1 287.451 2.207 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CCC[NH+](C2CCCC2)CC1 ZINC000649538351 396181883 /nfs/dbraw/zinc/18/18/83/396181883.db2.gz KKPBVDUIYDMCIO-MRXNPFEDSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000649538351 396181884 /nfs/dbraw/zinc/18/18/84/396181884.db2.gz KKPBVDUIYDMCIO-MRXNPFEDSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000649538351 396181888 /nfs/dbraw/zinc/18/18/88/396181888.db2.gz KKPBVDUIYDMCIO-MRXNPFEDSA-N 2 1 265.445 2.031 20 0 CEADMP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1(CO)CC=CC1 ZINC000646084287 396287823 /nfs/dbraw/zinc/28/78/23/396287823.db2.gz FBHBUPKODQSQOC-CVEARBPZSA-N 2 1 280.456 2.414 20 0 CEADMP C[C@@H](c1nc([C@@H]2CCC[NH2+]2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000647145850 396418508 /nfs/dbraw/zinc/41/85/08/396418508.db2.gz GLSCSGCDNJMIIO-USZNOCQGSA-N 2 1 264.373 2.428 20 0 CEADMP C[N@@H+]1C[C@@H](C[NH2+]CC2(F)CC2)[C@H](c2ccccc2)C1 ZINC000647249170 396449811 /nfs/dbraw/zinc/44/98/11/396449811.db2.gz GORLEMOMEMVETM-CABCVRRESA-N 2 1 262.372 2.424 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+]CC2(F)CC2)[C@H](c2ccccc2)C1 ZINC000647249170 396449813 /nfs/dbraw/zinc/44/98/13/396449813.db2.gz GORLEMOMEMVETM-CABCVRRESA-N 2 1 262.372 2.424 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+]C2CCOCC2)[C@H](c2ccccc2)C1 ZINC000647248925 396449931 /nfs/dbraw/zinc/44/99/31/396449931.db2.gz PIGSYWPRUOAYDC-WBVHZDCISA-N 2 1 274.408 2.100 20 0 CEADMP CCN1CCC([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000211378140 400303564 /nfs/dbraw/zinc/30/35/64/400303564.db2.gz KNKYXVSSKXOHFM-UHFFFAOYSA-N 2 1 287.451 2.248 20 0 CEADMP CC[NH+]1CCC(N(C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000211378140 400303565 /nfs/dbraw/zinc/30/35/65/400303565.db2.gz KNKYXVSSKXOHFM-UHFFFAOYSA-N 2 1 287.451 2.248 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000211378140 400303568 /nfs/dbraw/zinc/30/35/68/400303568.db2.gz KNKYXVSSKXOHFM-UHFFFAOYSA-N 3 1 287.451 2.248 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000211378140 400303569 /nfs/dbraw/zinc/30/35/69/400303569.db2.gz KNKYXVSSKXOHFM-UHFFFAOYSA-N 3 1 287.451 2.248 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000335560398 400352624 /nfs/dbraw/zinc/35/26/24/400352624.db2.gz CDOLFJHXEYWVQR-XJKSGUPXSA-N 2 1 289.423 2.119 20 0 CEADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000335560230 400352659 /nfs/dbraw/zinc/35/26/59/400352659.db2.gz ACGRKJKEYPNPQL-KGLIPLIRSA-N 2 1 296.361 2.215 20 0 CEADMP Cc1cn2c(C[NH2+]C[C@@H](C)C[NH+](C)C)c(C)nc2s1 ZINC000388905199 400535098 /nfs/dbraw/zinc/53/50/98/400535098.db2.gz LZTUHBFJADWOSG-SNVBAGLBSA-N 2 1 280.441 2.300 20 0 CEADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC2CCCCCC2)CCO1 ZINC000394546711 400549780 /nfs/dbraw/zinc/54/97/80/400549780.db2.gz XWGRGSKOTGXOJD-UKRRQHHQSA-N 2 1 254.418 2.395 20 0 CEADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC2CCCCCC2)CCO1 ZINC000394546711 400549785 /nfs/dbraw/zinc/54/97/85/400549785.db2.gz XWGRGSKOTGXOJD-UKRRQHHQSA-N 2 1 254.418 2.395 20 0 CEADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000394542428 400549919 /nfs/dbraw/zinc/54/99/19/400549919.db2.gz UOTTZQHRXAPTQN-XGUBFFRZSA-N 2 1 254.418 2.251 20 0 CEADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000394542428 400549923 /nfs/dbraw/zinc/54/99/23/400549923.db2.gz UOTTZQHRXAPTQN-XGUBFFRZSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000398085434 400560636 /nfs/dbraw/zinc/56/06/36/400560636.db2.gz HVCYIDHWKJUCQB-NJAFHUGGSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000574411454 400606978 /nfs/dbraw/zinc/60/69/78/400606978.db2.gz IAGANVCZCRNNMI-OWLYRPNTSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@H](C[NH2+]CCCc1cnn(C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638363712 400691539 /nfs/dbraw/zinc/69/15/39/400691539.db2.gz PSUBUORUNVCFIN-HUUCEWRRSA-N 2 1 278.444 2.063 20 0 CEADMP C[C@H](C[NH2+]CCCc1cnn(C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000638363712 400691543 /nfs/dbraw/zinc/69/15/43/400691543.db2.gz PSUBUORUNVCFIN-HUUCEWRRSA-N 2 1 278.444 2.063 20 0 CEADMP Cc1cncc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639683062 400696868 /nfs/dbraw/zinc/69/68/68/400696868.db2.gz FNFLGXKYSSXFPC-UHFFFAOYSA-N 2 1 282.391 2.497 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCC1CC1 ZINC000359930392 155170190 /nfs/dbraw/zinc/17/01/90/155170190.db2.gz RADCGPAPNQQHLB-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000336791336 289209145 /nfs/dbraw/zinc/20/91/45/289209145.db2.gz NCKHMCYUAPHYBP-ZIAGYGMSSA-N 2 1 254.418 2.002 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709327 401000530 /nfs/dbraw/zinc/00/05/30/401000530.db2.gz RXVRQCFJJPTXAY-RDJZCZTQSA-N 2 1 273.424 2.313 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2cnc(N(C)C)s2)[C@@H]1CC[NH3+] ZINC000650711626 401001596 /nfs/dbraw/zinc/00/15/96/401001596.db2.gz ZSPHVZVLDRUZBO-WCQYABFASA-N 2 1 282.457 2.158 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])n1 ZINC000650711066 401001952 /nfs/dbraw/zinc/00/19/52/401001952.db2.gz HNBUCWKORBDVPH-DZGCQCFKSA-N 2 1 277.412 2.430 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CNc3ccccc3C2)CC1 ZINC000650715571 401006109 /nfs/dbraw/zinc/00/61/09/401006109.db2.gz DRBHKYVKCPXMGB-HNNXBMFYSA-N 2 1 259.397 2.097 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(O)c2)C1 ZINC000650721905 401011328 /nfs/dbraw/zinc/01/13/28/401011328.db2.gz FOTUTEUQWWZRQF-PVAVHDDUSA-N 2 1 290.407 2.253 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000650722843 401012174 /nfs/dbraw/zinc/01/21/74/401012174.db2.gz CCSBEMJDNGKDAX-ZACQAIPSSA-N 2 1 289.423 2.251 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cscn2)C1 ZINC000650722060 401012270 /nfs/dbraw/zinc/01/22/70/401012270.db2.gz JVJWQBOVBYLSIK-XBFCOCLRSA-N 2 1 281.425 2.004 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cscn2)C1 ZINC000650722060 401012273 /nfs/dbraw/zinc/01/22/73/401012273.db2.gz JVJWQBOVBYLSIK-XBFCOCLRSA-N 2 1 281.425 2.004 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000650756215 401032495 /nfs/dbraw/zinc/03/24/95/401032495.db2.gz WQXMGYJCVQLEMZ-KZNAEPCWSA-N 3 1 287.451 2.368 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000650756215 401032496 /nfs/dbraw/zinc/03/24/96/401032496.db2.gz WQXMGYJCVQLEMZ-KZNAEPCWSA-N 2 1 287.451 2.368 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000650756215 401032498 /nfs/dbraw/zinc/03/24/98/401032498.db2.gz WQXMGYJCVQLEMZ-KZNAEPCWSA-N 2 1 287.451 2.368 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000650756215 401032499 /nfs/dbraw/zinc/03/24/99/401032499.db2.gz WQXMGYJCVQLEMZ-KZNAEPCWSA-N 2 1 287.451 2.368 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651686069 401372172 /nfs/dbraw/zinc/37/21/72/401372172.db2.gz PAHNICSLBDRYFN-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651686069 401372175 /nfs/dbraw/zinc/37/21/75/401372175.db2.gz PAHNICSLBDRYFN-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP COC[C@@H](CC(C)(C)C)[NH2+]CCc1c[nH+]cn1C ZINC000652190033 401461669 /nfs/dbraw/zinc/46/16/69/401461669.db2.gz ABRSCZBEEUZIIF-GFCCVEGCSA-N 2 1 253.390 2.003 20 0 CEADMP CCCCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345892 401490528 /nfs/dbraw/zinc/49/05/28/401490528.db2.gz OMKHMFNOIMPHPF-RRFJBIMHSA-N 2 1 254.418 2.395 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000652345932 401490665 /nfs/dbraw/zinc/49/06/65/401490665.db2.gz PNZQDJYDHBQIBQ-KSZLIROESA-N 2 1 288.435 2.447 20 0 CEADMP C[C@@]1(c2cccc(F)c2)CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000652350311 401491412 /nfs/dbraw/zinc/49/14/12/401491412.db2.gz RJZLNFIXSVIYCT-XJKSGUPXSA-N 2 1 262.372 2.399 20 0 CEADMP CC(C)CN(C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])C1CC1 ZINC000652354879 401491979 /nfs/dbraw/zinc/49/19/79/401491979.db2.gz KGCISJORNNJZDG-GDBMZVCRSA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)CN(C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])C1CC1 ZINC000652354879 401491983 /nfs/dbraw/zinc/49/19/83/401491983.db2.gz KGCISJORNNJZDG-GDBMZVCRSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN(C)Cc1ccccc1 ZINC000360247194 155251437 /nfs/dbraw/zinc/25/14/37/155251437.db2.gz BCGWENFWPSDKDI-NVXWUHKLSA-N 2 1 275.440 2.048 20 0 CEADMP C[N@H+]1C[C@@H]2CN(Cc3cc[nH]n3)C[C@H]2[C@@H]1c1ccccc1 ZINC000360792220 155371700 /nfs/dbraw/zinc/37/17/00/155371700.db2.gz UIMRPXHKNKFPJR-OIISXLGYSA-N 2 1 282.391 2.144 20 0 CEADMP C[C@H]1CC[C@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)O1 ZINC000188586708 153062348 /nfs/dbraw/zinc/06/23/48/153062348.db2.gz BGLQLWMHBJFXSG-DZGCQCFKSA-N 2 1 277.412 2.242 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(=O)N(C)C ZINC000189009972 153079005 /nfs/dbraw/zinc/07/90/05/153079005.db2.gz OQHUQYONMQSJIX-YCPHGPKFSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000191541192 153175981 /nfs/dbraw/zinc/17/59/81/153175981.db2.gz PQVHPIWMSAHOGU-QGZVFWFLSA-N 2 1 298.471 2.378 20 0 CEADMP CC[NH+]1CCN(C[C@@H](C)CNc2cc[nH+]cc2C)CC1 ZINC000192510146 153210641 /nfs/dbraw/zinc/21/06/41/153210641.db2.gz VEAWIOMSFWWQON-AWEZNQCLSA-N 2 1 276.428 2.076 20 0 CEADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000192919663 153224635 /nfs/dbraw/zinc/22/46/35/153224635.db2.gz FRPPXZMLYVVBFI-INIZCTEOSA-N 2 1 284.407 2.032 20 0 CEADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000192919663 153224640 /nfs/dbraw/zinc/22/46/40/153224640.db2.gz FRPPXZMLYVVBFI-INIZCTEOSA-N 2 1 284.407 2.032 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192918878 153224947 /nfs/dbraw/zinc/22/49/47/153224947.db2.gz GMFAPTXOHNBVSY-HNSVSWJLSA-N 2 1 268.445 2.246 20 0 CEADMP C1=CO[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000193992346 153244859 /nfs/dbraw/zinc/24/48/59/153244859.db2.gz DATMNGJQTFHAJF-GJZGRUSLSA-N 2 1 250.386 2.097 20 0 CEADMP C[C@H](CC[NH3+])[NH2+]Cc1ccc(Br)cc1F ZINC000220519030 153305370 /nfs/dbraw/zinc/30/53/70/153305370.db2.gz LQQCGTPLWZUSMN-MRVPVSSYSA-N 2 1 275.165 2.415 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cs1 ZINC000221955396 153311235 /nfs/dbraw/zinc/31/12/35/153311235.db2.gz GPFGSFRNEFIFMM-MISXGVKJSA-N 2 1 267.442 2.312 20 0 CEADMP COC1CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000230674658 153399130 /nfs/dbraw/zinc/39/91/30/153399130.db2.gz ZJDIGLQLKYECNS-UHFFFAOYSA-N 2 1 274.408 2.418 20 0 CEADMP C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000245543741 153504723 /nfs/dbraw/zinc/50/47/23/153504723.db2.gz AMSVFGBAOIZXAD-QMCVQRASSA-N 2 1 290.451 2.408 20 0 CEADMP C[N@@H+](CCCOc1ccc(Cl)cc1)CCOCC[NH3+] ZINC000357110947 154377127 /nfs/dbraw/zinc/37/71/27/154377127.db2.gz YBZSPVLZFSDJGX-UHFFFAOYSA-N 2 1 286.803 2.016 20 0 CEADMP COCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248163141 292317005 /nfs/dbraw/zinc/31/70/05/292317005.db2.gz SLWDLQHYMCAMER-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP COCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248163141 292317007 /nfs/dbraw/zinc/31/70/07/292317007.db2.gz SLWDLQHYMCAMER-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP COCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248163141 292317008 /nfs/dbraw/zinc/31/70/08/292317008.db2.gz SLWDLQHYMCAMER-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CC1CC[NH+](CC2CC[NH+](Cc3c[nH]cn3)CC2)CC1 ZINC000367229564 156150593 /nfs/dbraw/zinc/15/05/93/156150593.db2.gz SVGPSYQPVYCWMA-UHFFFAOYSA-N 2 1 276.428 2.354 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(O)cc2)[C@@H]2CCC[C@H]21 ZINC000367629921 156217280 /nfs/dbraw/zinc/21/72/80/156217280.db2.gz BWNHODJQYWBRST-YESZJQIVSA-N 2 1 274.408 2.397 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOC2CCCC2)[C@H]2CCC[C@@H]21 ZINC000367742883 156233263 /nfs/dbraw/zinc/23/32/63/156233263.db2.gz WYFVIPPFBYHMMV-PMPSAXMXSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]CC2(C)COC2)[C@@H]1c1ccccc1 ZINC000375749029 157135610 /nfs/dbraw/zinc/13/56/10/157135610.db2.gz AZBXCPJBJLQBDL-HOTGVXAUSA-N 2 1 274.408 2.306 20 0 CEADMP C[N@@H+](CCC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375765924 157141739 /nfs/dbraw/zinc/14/17/39/157141739.db2.gz YSCANCMDSOTMJO-PBWFPOADSA-N 2 1 282.428 2.275 20 0 CEADMP C[NH+](CCC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375765924 157141742 /nfs/dbraw/zinc/14/17/42/157141742.db2.gz YSCANCMDSOTMJO-PBWFPOADSA-N 2 1 282.428 2.275 20 0 CEADMP C[NH+](CCC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375765924 157141746 /nfs/dbraw/zinc/14/17/46/157141746.db2.gz YSCANCMDSOTMJO-PBWFPOADSA-N 2 1 282.428 2.275 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000375933923 157161167 /nfs/dbraw/zinc/16/11/67/157161167.db2.gz QASQAMXFNYHEKB-CQSZACIVSA-N 2 1 298.390 2.238 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000375933923 157161175 /nfs/dbraw/zinc/16/11/75/157161175.db2.gz QASQAMXFNYHEKB-CQSZACIVSA-N 2 1 298.390 2.238 20 0 CEADMP CCc1nc(NC2CC([NH+]3CCCCC3)C2)cc(C)[nH+]1 ZINC000376390824 157214084 /nfs/dbraw/zinc/21/40/84/157214084.db2.gz GPYKZNJKKOAFTB-UHFFFAOYSA-N 2 1 274.412 2.198 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000414880530 289538672 /nfs/dbraw/zinc/53/86/72/289538672.db2.gz QYKDWJPLULPUBW-FMKPAKJESA-N 3 1 267.461 2.214 20 0 CEADMP C[C@H]1C[C@@H](N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1C ZINC000151120676 162303367 /nfs/dbraw/zinc/30/33/67/162303367.db2.gz DCXKPWTWKYFJIY-BHYGNILZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1C[C@@H](N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1C ZINC000151120676 162303368 /nfs/dbraw/zinc/30/33/68/162303368.db2.gz DCXKPWTWKYFJIY-BHYGNILZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1C[C@@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1C ZINC000151120676 162303371 /nfs/dbraw/zinc/30/33/71/162303371.db2.gz DCXKPWTWKYFJIY-BHYGNILZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000164719205 162338031 /nfs/dbraw/zinc/33/80/31/162338031.db2.gz PAHZEUBVOQHXBF-NHYWBVRUSA-N 2 1 268.351 2.437 20 0 CEADMP Clc1cccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261601497 162547376 /nfs/dbraw/zinc/54/73/76/162547376.db2.gz QCBCHELRQQWSRM-IUODEOHRSA-N 2 1 280.799 2.403 20 0 CEADMP Clc1cccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261601497 162547383 /nfs/dbraw/zinc/54/73/83/162547383.db2.gz QCBCHELRQQWSRM-IUODEOHRSA-N 2 1 280.799 2.403 20 0 CEADMP C[C@@H](N[C@H]1C[N@@H+](C)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358476765 287071735 /nfs/dbraw/zinc/07/17/35/287071735.db2.gz YWTBRQGGFWEQIV-ANQUJSFKSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](N[C@H]1C[NH+](C)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358476765 287071736 /nfs/dbraw/zinc/07/17/36/287071736.db2.gz YWTBRQGGFWEQIV-ANQUJSFKSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](N[C@H]1C[NH+](C)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358476765 287071737 /nfs/dbraw/zinc/07/17/37/287071737.db2.gz YWTBRQGGFWEQIV-ANQUJSFKSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358476765 287071738 /nfs/dbraw/zinc/07/17/38/287071738.db2.gz YWTBRQGGFWEQIV-ANQUJSFKSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358476765 287071739 /nfs/dbraw/zinc/07/17/39/287071739.db2.gz YWTBRQGGFWEQIV-ANQUJSFKSA-N 2 1 279.472 2.179 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC000173920742 165088316 /nfs/dbraw/zinc/08/83/16/165088316.db2.gz PTHROAKTSBVTLB-CQSZACIVSA-N 2 1 280.387 2.478 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC000173920742 165088318 /nfs/dbraw/zinc/08/83/18/165088318.db2.gz PTHROAKTSBVTLB-CQSZACIVSA-N 2 1 280.387 2.478 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000173920742 165088320 /nfs/dbraw/zinc/08/83/20/165088320.db2.gz PTHROAKTSBVTLB-CQSZACIVSA-N 2 1 280.387 2.478 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000173920742 165088321 /nfs/dbraw/zinc/08/83/21/165088321.db2.gz PTHROAKTSBVTLB-CQSZACIVSA-N 2 1 280.387 2.478 20 0 CEADMP CCOCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177512981 165199418 /nfs/dbraw/zinc/19/94/18/165199418.db2.gz DINCLEHMWMNECG-IYBDPMFKSA-N 2 1 298.471 2.234 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cnn(C)c1 ZINC000178253634 165228549 /nfs/dbraw/zinc/22/85/49/165228549.db2.gz FDTPNSZXQYLWRY-INIZCTEOSA-N 2 1 276.428 2.335 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000178750252 165255388 /nfs/dbraw/zinc/25/53/88/165255388.db2.gz NKGBZWWCFVZBEW-ZFWWWQNUSA-N 2 1 278.444 2.500 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000178750252 165255396 /nfs/dbraw/zinc/25/53/96/165255396.db2.gz NKGBZWWCFVZBEW-ZFWWWQNUSA-N 2 1 278.444 2.500 20 0 CEADMP CC(C)n1cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000179905058 165293556 /nfs/dbraw/zinc/29/35/56/165293556.db2.gz AENXXVHCZJOAIS-ZFWWWQNUSA-N 2 1 264.417 2.379 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000181748808 165355413 /nfs/dbraw/zinc/35/54/13/165355413.db2.gz BYTFRWCIJDWWSX-IJEWVQPXSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000181748808 165355415 /nfs/dbraw/zinc/35/54/15/165355415.db2.gz BYTFRWCIJDWWSX-IJEWVQPXSA-N 2 1 299.422 2.401 20 0 CEADMP C[NH+](CCC1CC1)CC1(C[N@@H+](C)CCC2CC2)COC1 ZINC000182356413 165370270 /nfs/dbraw/zinc/37/02/70/165370270.db2.gz JTQSLAACMBPXOJ-UHFFFAOYSA-N 2 1 280.456 2.467 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000182541455 165376243 /nfs/dbraw/zinc/37/62/43/165376243.db2.gz JTOXBDQGPZCDAI-OLZOCXBDSA-N 2 1 282.428 2.181 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000011888784 170453495 /nfs/dbraw/zinc/45/34/95/170453495.db2.gz HGHGEOIKKYIYOY-CYBMUJFWSA-N 2 1 278.396 2.135 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000011888784 170453496 /nfs/dbraw/zinc/45/34/96/170453496.db2.gz HGHGEOIKKYIYOY-CYBMUJFWSA-N 2 1 278.396 2.135 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)oc1C ZINC000564457797 298830632 /nfs/dbraw/zinc/83/06/32/298830632.db2.gz XZGMNAXAYFRLAY-HOCLYGCPSA-N 2 1 293.411 2.010 20 0 CEADMP COc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1O ZINC000020128708 171016490 /nfs/dbraw/zinc/01/64/90/171016490.db2.gz MHJMENZELVTPJF-UHFFFAOYSA-N 2 1 278.396 2.366 20 0 CEADMP CC(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCC1 ZINC000020524050 171237101 /nfs/dbraw/zinc/23/71/01/171237101.db2.gz YQUUOCATXRPDSV-HMQMGEFJSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2cccc3cccnc32)CC1 ZINC000037250663 173063267 /nfs/dbraw/zinc/06/32/67/173063267.db2.gz NAMUILLFIZTJAU-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000040600349 174351218 /nfs/dbraw/zinc/35/12/18/174351218.db2.gz TZIDZRSFCGQIDR-CYBMUJFWSA-N 2 1 293.386 2.086 20 0 CEADMP COC(=O)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000040746580 174392350 /nfs/dbraw/zinc/39/23/50/174392350.db2.gz FQRBVCIZTYVYOK-XYPWUTKMSA-N 2 1 288.391 2.188 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000040746580 174392352 /nfs/dbraw/zinc/39/23/52/174392352.db2.gz FQRBVCIZTYVYOK-XYPWUTKMSA-N 2 1 288.391 2.188 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCCC1 ZINC000401043118 414749912 /nfs/dbraw/zinc/74/99/12/414749912.db2.gz UTNBYKJUGMEPMH-HRCADAONSA-N 3 1 279.472 2.229 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000653872257 414765257 /nfs/dbraw/zinc/76/52/57/414765257.db2.gz SGEBZDVQICNRLX-AAEUAGOBSA-N 2 1 278.387 2.103 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)CO1 ZINC000403743478 414767308 /nfs/dbraw/zinc/76/73/08/414767308.db2.gz KFWIQEDFMVXNQS-SUMWQHHRSA-N 2 1 274.408 2.332 20 0 CEADMP CC(C)O[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000404637968 414789281 /nfs/dbraw/zinc/78/92/81/414789281.db2.gz KIPZOZGSVNUGRX-OAHLLOKOSA-N 2 1 254.418 2.266 20 0 CEADMP CC1CCC(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])CC1 ZINC000404359310 414780438 /nfs/dbraw/zinc/78/04/38/414780438.db2.gz NEZKHKSQLQNCRL-BHDPWAOGSA-N 2 1 295.471 2.131 20 0 CEADMP CC1CCC(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])CC1 ZINC000404359310 414780442 /nfs/dbraw/zinc/78/04/42/414780442.db2.gz NEZKHKSQLQNCRL-BHDPWAOGSA-N 2 1 295.471 2.131 20 0 CEADMP CC1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])CC1 ZINC000404359321 414782013 /nfs/dbraw/zinc/78/20/13/414782013.db2.gz NEZKHKSQLQNCRL-KNIAUWFNSA-N 2 1 295.471 2.131 20 0 CEADMP CC1CCC(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])CC1 ZINC000404359321 414782022 /nfs/dbraw/zinc/78/20/22/414782022.db2.gz NEZKHKSQLQNCRL-KNIAUWFNSA-N 2 1 295.471 2.131 20 0 CEADMP CCCn1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cn1 ZINC000404490453 414785370 /nfs/dbraw/zinc/78/53/70/414785370.db2.gz AMRRCBCGVVLAIF-ZFWWWQNUSA-N 2 1 264.417 2.242 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cn1 ZINC000404522608 414786206 /nfs/dbraw/zinc/78/62/06/414786206.db2.gz XILPLDZFGUOZQK-HIFRSBDPSA-N 2 1 264.417 2.413 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCCC1 ZINC000401012105 414748588 /nfs/dbraw/zinc/74/85/88/414748588.db2.gz HHTZGJGEEFGUGL-TWMKSMIVSA-N 3 1 279.472 2.085 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccc(C)cc2C)C[C@H]1C[NH3+] ZINC000405535847 414797486 /nfs/dbraw/zinc/79/74/86/414797486.db2.gz OVUNTULLHOQECY-HZPDHXFCSA-N 2 1 262.397 2.099 20 0 CEADMP COCc1csc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000657295323 414839888 /nfs/dbraw/zinc/83/98/88/414839888.db2.gz AMNMYFQXPFRSGU-UHFFFAOYSA-N 2 1 268.426 2.470 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657303595 414846849 /nfs/dbraw/zinc/84/68/49/414846849.db2.gz DPXAFEVLHHAPIT-UHFFFAOYSA-N 2 1 276.428 2.039 20 0 CEADMP C[C@H](CNCc1cnc2n1CCC2)[N@H+]1CCCC[C@@H]1C ZINC000657307517 414848004 /nfs/dbraw/zinc/84/80/04/414848004.db2.gz HLZFZXXIOVHFIJ-UONOGXRCSA-N 2 1 276.428 2.182 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657311430 414851565 /nfs/dbraw/zinc/85/15/65/414851565.db2.gz KETZHHUOZVBHII-HNNXBMFYSA-N 2 1 290.455 2.431 20 0 CEADMP Clc1ccc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000308459072 414855174 /nfs/dbraw/zinc/85/51/74/414855174.db2.gz FRBBFQQKSPFXKW-BETUJISGSA-N 2 1 250.773 2.034 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C1CCCC1 ZINC000311926772 414862355 /nfs/dbraw/zinc/86/23/55/414862355.db2.gz HJPDTOKZYLRUPY-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000311926772 414862359 /nfs/dbraw/zinc/86/23/59/414862359.db2.gz HJPDTOKZYLRUPY-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000311926772 414862364 /nfs/dbraw/zinc/86/23/64/414862364.db2.gz HJPDTOKZYLRUPY-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCCN(CC[C@@H]1CCCC[NH+]1C)C2 ZINC000660654112 414918559 /nfs/dbraw/zinc/91/85/59/414918559.db2.gz CVXFMGMKZWJQPB-IRXDYDNUSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCCN(CC[C@@H]1CCCC[N@@H+]1C)C2 ZINC000660654112 414918560 /nfs/dbraw/zinc/91/85/60/414918560.db2.gz CVXFMGMKZWJQPB-IRXDYDNUSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCCN(CC[C@@H]1CCCC[N@H+]1C)C2 ZINC000660654112 414918564 /nfs/dbraw/zinc/91/85/64/414918564.db2.gz CVXFMGMKZWJQPB-IRXDYDNUSA-N 2 1 279.472 2.279 20 0 CEADMP C([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCSC1 ZINC000663344433 414920906 /nfs/dbraw/zinc/92/09/06/414920906.db2.gz TWNPOKCZQQAZQG-GJZGRUSLSA-N 2 1 268.470 2.451 20 0 CEADMP Cc1noc(C)c1CCN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660658847 414921067 /nfs/dbraw/zinc/92/10/67/414921067.db2.gz IBYSPEIBJAHKMX-MRXNPFEDSA-N 2 1 277.412 2.252 20 0 CEADMP Cc1noc(C)c1CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660658847 414921073 /nfs/dbraw/zinc/92/10/73/414921073.db2.gz IBYSPEIBJAHKMX-MRXNPFEDSA-N 2 1 277.412 2.252 20 0 CEADMP Cc1noc(C)c1CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660658847 414921075 /nfs/dbraw/zinc/92/10/75/414921075.db2.gz IBYSPEIBJAHKMX-MRXNPFEDSA-N 2 1 277.412 2.252 20 0 CEADMP Cc1noc(C)c1CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660658847 414921079 /nfs/dbraw/zinc/92/10/79/414921079.db2.gz IBYSPEIBJAHKMX-MRXNPFEDSA-N 2 1 277.412 2.252 20 0 CEADMP Cc1noc(C)c1CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660658847 414921083 /nfs/dbraw/zinc/92/10/83/414921083.db2.gz IBYSPEIBJAHKMX-MRXNPFEDSA-N 2 1 277.412 2.252 20 0 CEADMP C1=C(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)COCC1 ZINC000663345013 414922040 /nfs/dbraw/zinc/92/20/40/414922040.db2.gz FEYLJAQTFOPYMA-HNNXBMFYSA-N 2 1 264.413 2.045 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC000660662724 414922226 /nfs/dbraw/zinc/92/22/26/414922226.db2.gz LVEJDKCKFSCRKB-PMPSAXMXSA-N 2 1 266.429 2.219 20 0 CEADMP CCn1cncc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343812 414922428 /nfs/dbraw/zinc/92/24/28/414922428.db2.gz FQYPRXUTVRVTDU-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP CCn1cncc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343812 414922433 /nfs/dbraw/zinc/92/24/33/414922433.db2.gz FQYPRXUTVRVTDU-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+](CC3CC3)C2)C[N@H+]1C1CC1 ZINC000663345618 414924776 /nfs/dbraw/zinc/92/47/76/414924776.db2.gz LYJHLRVYAVUMLU-OIISXLGYSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C[NH+]1C1CC1 ZINC000663345618 414924783 /nfs/dbraw/zinc/92/47/83/414924783.db2.gz LYJHLRVYAVUMLU-OIISXLGYSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C[NH+]1C1CC1 ZINC000663345618 414924786 /nfs/dbraw/zinc/92/47/86/414924786.db2.gz LYJHLRVYAVUMLU-OIISXLGYSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CN1C1CC1 ZINC000663345618 414924793 /nfs/dbraw/zinc/92/47/93/414924793.db2.gz LYJHLRVYAVUMLU-OIISXLGYSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CN1C1CC1 ZINC000663345618 414924799 /nfs/dbraw/zinc/92/47/99/414924799.db2.gz LYJHLRVYAVUMLU-OIISXLGYSA-N 2 1 291.483 2.323 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC[C@H]1CCCCO1)C2 ZINC000660663161 414924880 /nfs/dbraw/zinc/92/48/80/414924880.db2.gz NOIMYFSWMYKUNL-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)nc1 ZINC000663347594 414924965 /nfs/dbraw/zinc/92/49/65/414924965.db2.gz PRWXXGXHYRIMRG-HNNXBMFYSA-N 2 1 259.397 2.293 20 0 CEADMP c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)nc1 ZINC000663347594 414924970 /nfs/dbraw/zinc/92/49/70/414924970.db2.gz PRWXXGXHYRIMRG-HNNXBMFYSA-N 2 1 259.397 2.293 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000653176252 414938044 /nfs/dbraw/zinc/93/80/44/414938044.db2.gz OBGLIWOYEKXXQP-JYJNAYRXSA-N 2 1 295.471 2.001 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccnn1CC1CC1 ZINC000657374110 414893636 /nfs/dbraw/zinc/89/36/36/414893636.db2.gz FAOIBDHCKFREAK-UHFFFAOYSA-N 2 1 287.411 2.368 20 0 CEADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000663504300 414974885 /nfs/dbraw/zinc/97/48/85/414974885.db2.gz YRWSBUPBPINCLP-QLFBSQMISA-N 3 1 255.450 2.260 20 0 CEADMP C[NH2+]C[C@H](C)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000663509318 414977258 /nfs/dbraw/zinc/97/72/58/414977258.db2.gz IZBJFIZYNSHISF-DZKIICNBSA-N 2 1 261.413 2.019 20 0 CEADMP CC(C)[C@H](C[N@@H+]1CCOC2(CNC2)C1)c1ccccc1 ZINC000663509000 414977584 /nfs/dbraw/zinc/97/75/84/414977584.db2.gz IKYNQDBRAKYHCC-INIZCTEOSA-N 2 1 274.408 2.100 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1c(C2CC2)cnn1C ZINC000657500429 414978062 /nfs/dbraw/zinc/97/80/62/414978062.db2.gz KQPHCAMWSRNTKI-UHFFFAOYSA-N 2 1 278.444 2.365 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1c(C2CC2)cnn1C ZINC000657500429 414978065 /nfs/dbraw/zinc/97/80/65/414978065.db2.gz KQPHCAMWSRNTKI-UHFFFAOYSA-N 2 1 278.444 2.365 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@H](CC(F)(F)F)C1 ZINC000660829269 414992667 /nfs/dbraw/zinc/99/26/67/414992667.db2.gz CHFJSBUBPGTTFE-OLZOCXBDSA-N 2 1 296.377 2.352 20 0 CEADMP Cc1cc(CO)cc(N[C@@H](C)C(C)(C)C[NH+](C)C)[nH+]1 ZINC000663660473 415006875 /nfs/dbraw/zinc/00/68/75/415006875.db2.gz HLNCXDXBTPIABY-LBPRGKRZSA-N 2 1 265.401 2.271 20 0 CEADMP C[C@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[NH+](C)C ZINC000654479976 414947587 /nfs/dbraw/zinc/94/75/87/414947587.db2.gz MQQMCFFJXILECA-BXUZGUMPSA-N 2 1 297.830 2.009 20 0 CEADMP CC[C@H](C)[NH+]1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660736161 414950100 /nfs/dbraw/zinc/95/01/00/414950100.db2.gz GSAKVTPLQRAAAM-BBWFWOEESA-N 2 1 281.488 2.380 20 0 CEADMP CO[C@@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)C1CCC1 ZINC000660761894 414964480 /nfs/dbraw/zinc/96/44/80/414964480.db2.gz HRZWUYGPYHPTTB-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C1CC1)C1(CO)CCC1 ZINC000660770153 414967329 /nfs/dbraw/zinc/96/73/29/414967329.db2.gz AXMUVHIATDSHHE-UHFFFAOYSA-N 2 1 254.418 2.098 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000663495244 414969437 /nfs/dbraw/zinc/96/94/37/414969437.db2.gz WICLTZDQPNRORZ-RDJZCZTQSA-N 3 1 275.440 2.083 20 0 CEADMP CCC[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751002 415068930 /nfs/dbraw/zinc/06/89/30/415068930.db2.gz MPOATFUPTBOCPV-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(CCc3noc4ccccc43)C2)C1 ZINC000653695264 415078116 /nfs/dbraw/zinc/07/81/16/415078116.db2.gz HPDHARDYNVLGSE-KRWDZBQOSA-N 2 1 285.391 2.398 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](CCc3noc4ccccc43)C2)C1 ZINC000653695264 415078121 /nfs/dbraw/zinc/07/81/21/415078121.db2.gz HPDHARDYNVLGSE-KRWDZBQOSA-N 2 1 285.391 2.398 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CCc3noc4ccccc43)C2)C1 ZINC000653695264 415078125 /nfs/dbraw/zinc/07/81/25/415078125.db2.gz HPDHARDYNVLGSE-KRWDZBQOSA-N 2 1 285.391 2.398 20 0 CEADMP CC(C)=CCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000660902735 415028030 /nfs/dbraw/zinc/02/80/30/415028030.db2.gz GFNNYTOXQZRZGS-UHFFFAOYSA-N 2 1 252.402 2.139 20 0 CEADMP CO[C@H](C)C[N@H+](CCCc1c[nH+]cn1C)C(C)C ZINC000653558755 415034692 /nfs/dbraw/zinc/03/46/92/415034692.db2.gz SVHLXZUOUJFFES-CYBMUJFWSA-N 2 1 253.390 2.098 20 0 CEADMP CO[C@H](C)C[N@@H+](CCCc1c[nH+]cn1C)C(C)C ZINC000653558755 415034696 /nfs/dbraw/zinc/03/46/96/415034696.db2.gz SVHLXZUOUJFFES-CYBMUJFWSA-N 2 1 253.390 2.098 20 0 CEADMP Cc1cc(C(F)(F)F)cc(NC[C@](C)(O)C[NH+](C)C)[nH+]1 ZINC000663742982 415035841 /nfs/dbraw/zinc/03/58/41/415035841.db2.gz YQZUMQKSQIMHEA-LBPRGKRZSA-N 2 1 291.317 2.133 20 0 CEADMP Cn1cc[nH+]c1[C@@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663748303 415036847 /nfs/dbraw/zinc/03/68/47/415036847.db2.gz PSQFDZAKAQAIKQ-LLVKDONJSA-N 2 1 267.336 2.290 20 0 CEADMP C1C[N@@H+](C2CCCCC2)C[C@@H]1[NH2+]C1CCOCC1 ZINC000657678975 415044989 /nfs/dbraw/zinc/04/49/89/415044989.db2.gz XOALDHHXMARGIP-CQSZACIVSA-N 2 1 252.402 2.162 20 0 CEADMP C1C[N@H+](C2CCCCC2)C[C@@H]1[NH2+]C1CCOCC1 ZINC000657678975 415044995 /nfs/dbraw/zinc/04/49/95/415044995.db2.gz XOALDHHXMARGIP-CQSZACIVSA-N 2 1 252.402 2.162 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCn2nccc21 ZINC000657892226 415116371 /nfs/dbraw/zinc/11/63/71/415116371.db2.gz XAQBEHDAOPAEGM-AWEZNQCLSA-N 2 1 273.384 2.293 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128489807 287297987 /nfs/dbraw/zinc/29/79/87/287297987.db2.gz CEAKNGYYQUHTIB-CVEARBPZSA-N 2 1 267.461 2.182 20 0 CEADMP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044513659 175188864 /nfs/dbraw/zinc/18/88/64/175188864.db2.gz JNUWFNWIJVATJC-UHFFFAOYSA-N 2 1 295.814 2.258 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000044529778 175194194 /nfs/dbraw/zinc/19/41/94/175194194.db2.gz QJYSWGIFQRCNTA-LBPRGKRZSA-N 2 1 295.814 2.339 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000044529776 175194327 /nfs/dbraw/zinc/19/43/27/175194327.db2.gz QJYSWGIFQRCNTA-GFCCVEGCSA-N 2 1 295.814 2.339 20 0 CEADMP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1[nH+]ccc2[nH]ccc21 ZINC000664243407 415238531 /nfs/dbraw/zinc/23/85/31/415238531.db2.gz SJGGDGKSQJQFTJ-NEPJUHHUSA-N 2 1 274.368 2.084 20 0 CEADMP C[C@@H]1C[N@H+](CCNc2nc3ccccc3n2C)[C@H](C)CO1 ZINC000664244209 415240407 /nfs/dbraw/zinc/24/04/07/415240407.db2.gz QUZGNGAIZBLOCY-CHWSQXEVSA-N 2 1 288.395 2.094 20 0 CEADMP C[C@@H]1C[N@@H+](CCNc2nc3ccccc3n2C)[C@H](C)CO1 ZINC000664244209 415240414 /nfs/dbraw/zinc/24/04/14/415240414.db2.gz QUZGNGAIZBLOCY-CHWSQXEVSA-N 2 1 288.395 2.094 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCOC1 ZINC000658229492 415265538 /nfs/dbraw/zinc/26/55/38/415265538.db2.gz RYUQAWZQHXNDHZ-SOUVJXGZSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCOC1 ZINC000658229492 415265545 /nfs/dbraw/zinc/26/55/45/415265545.db2.gz RYUQAWZQHXNDHZ-SOUVJXGZSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1cc(NC(=O)[C@H]2CCCC[N@@H+]2C)ccc1C[NH+](C)C ZINC000655430704 415268396 /nfs/dbraw/zinc/26/83/96/415268396.db2.gz PZIIYHRBWVYOPU-MRXNPFEDSA-N 2 1 289.423 2.479 20 0 CEADMP Cc1cc(NC(=O)[C@H]2CCCC[N@H+]2C)ccc1C[NH+](C)C ZINC000655430704 415268407 /nfs/dbraw/zinc/26/84/07/415268407.db2.gz PZIIYHRBWVYOPU-MRXNPFEDSA-N 2 1 289.423 2.479 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CC(N)=O)CCCCC2)[C@H](C)C1 ZINC000658337300 415324061 /nfs/dbraw/zinc/32/40/61/415324061.db2.gz FZUSVHAAGPSWLV-CABCVRRESA-N 2 1 295.471 2.132 20 0 CEADMP Cc1ccsc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655700878 415396855 /nfs/dbraw/zinc/39/68/55/415396855.db2.gz PMZMBZRYIYKUIZ-AWEZNQCLSA-N 2 1 280.437 2.399 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccncc1 ZINC000655721835 415411311 /nfs/dbraw/zinc/41/13/11/415411311.db2.gz RUTPGILFHYPOJJ-PBHICJAKSA-N 2 1 289.423 2.028 20 0 CEADMP CC(C)C1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655732087 415417414 /nfs/dbraw/zinc/41/74/14/415417414.db2.gz XQQLPIFGPCMIFG-HNNXBMFYSA-N 2 1 266.429 2.266 20 0 CEADMP C1=CC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655729925 415417731 /nfs/dbraw/zinc/41/77/31/415417731.db2.gz PXGFMQFZSBJJHB-ZBFHGGJFSA-N 2 1 264.413 2.328 20 0 CEADMP CC1(C)C[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655729748 415418716 /nfs/dbraw/zinc/41/87/16/415418716.db2.gz JOGNZSFRDAAUNV-DZGCQCFKSA-N 2 1 266.429 2.266 20 0 CEADMP c1coc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655692371 415388798 /nfs/dbraw/zinc/38/87/98/415388798.db2.gz VBOTWDCHDWFPQA-MRXNPFEDSA-N 2 1 278.396 2.055 20 0 CEADMP CC(C)C1([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655770288 415446546 /nfs/dbraw/zinc/44/65/46/415446546.db2.gz FTSGLRZBESZYDH-HNNXBMFYSA-N 2 1 266.429 2.408 20 0 CEADMP CC/C=C/C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772444 415452111 /nfs/dbraw/zinc/45/21/11/415452111.db2.gz IOGHNFHVPADUHE-NHZBNJEXSA-N 2 1 252.402 2.186 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H](C)O1 ZINC000655777061 415458108 /nfs/dbraw/zinc/45/81/08/415458108.db2.gz QXNDRVIINSJNHZ-ANQUJSFKSA-N 2 1 296.455 2.033 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)CC(F)F ZINC000655779399 415459166 /nfs/dbraw/zinc/45/91/66/415459166.db2.gz KHYLHNCESNTDQE-YPMHNXCESA-N 2 1 276.371 2.121 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000664718645 415460395 /nfs/dbraw/zinc/46/03/95/415460395.db2.gz GNIZBNRTSFNSMQ-AWEZNQCLSA-N 2 1 297.487 2.249 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000655787312 415466165 /nfs/dbraw/zinc/46/61/65/415466165.db2.gz VDUWKLQDRCIPSZ-CABCVRRESA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H](COCC1CC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655789897 415470518 /nfs/dbraw/zinc/47/05/18/415470518.db2.gz AIBKAAHJVKYPMT-YOEHRIQHSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@H](COCC1CC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655789895 415470792 /nfs/dbraw/zinc/47/07/92/415470792.db2.gz AIBKAAHJVKYPMT-RHSMWYFYSA-N 2 1 296.455 2.035 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3noc4ccccc43)C[C@@H]12 ZINC000655938622 415560378 /nfs/dbraw/zinc/56/03/78/415560378.db2.gz ZEFUBWWQYYHVGM-MRVWCRGKSA-N 2 1 271.364 2.039 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@]1(C)CO ZINC000662148838 415656377 /nfs/dbraw/zinc/65/63/77/415656377.db2.gz LIFSIMXIIMTRFZ-WMLDXEAASA-N 2 1 285.391 2.323 20 0 CEADMP O[C@@H]1CC[N@H+](C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000662149460 415657885 /nfs/dbraw/zinc/65/78/85/415657885.db2.gz PEYCLRPOQHASBM-MRXNPFEDSA-N 2 1 294.826 2.371 20 0 CEADMP [NH3+][C@@H]1CCC[C@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000665266815 415661411 /nfs/dbraw/zinc/66/14/11/415661411.db2.gz KGKGBIQVXPEJBY-ILXRZTDVSA-N 2 1 265.445 2.253 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000662164547 415664319 /nfs/dbraw/zinc/66/43/19/415664319.db2.gz FXCNBISILDBGPB-OAHLLOKOSA-N 2 1 295.333 2.183 20 0 CEADMP CCC(CC)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)OC ZINC000656260920 415665160 /nfs/dbraw/zinc/66/51/60/415665160.db2.gz YSPAQLDSKYPXBM-OAHLLOKOSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299168 415684131 /nfs/dbraw/zinc/68/41/31/415684131.db2.gz HWXLKLUTDBHZNR-DJIMGWMZSA-N 2 1 279.472 2.086 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299168 415684135 /nfs/dbraw/zinc/68/41/35/415684135.db2.gz HWXLKLUTDBHZNR-DJIMGWMZSA-N 2 1 279.472 2.086 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299168 415684141 /nfs/dbraw/zinc/68/41/41/415684141.db2.gz HWXLKLUTDBHZNR-DJIMGWMZSA-N 2 1 279.472 2.086 20 0 CEADMP C[NH2+]C[C@H](C)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665297318 415686403 /nfs/dbraw/zinc/68/64/03/415686403.db2.gz DCUZIENLAQAZQB-YQQAZPJKSA-N 2 1 275.440 2.095 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299974 415688665 /nfs/dbraw/zinc/68/86/65/415688665.db2.gz VWIDKRLKAAUVHF-GDBMZVCRSA-N 3 1 267.461 2.216 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000071147360 176043072 /nfs/dbraw/zinc/04/30/72/176043072.db2.gz WLURABKQEAOWJG-LBPRGKRZSA-N 2 1 268.788 2.260 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000071147360 176043073 /nfs/dbraw/zinc/04/30/73/176043073.db2.gz WLURABKQEAOWJG-LBPRGKRZSA-N 2 1 268.788 2.260 20 0 CEADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148689 176044744 /nfs/dbraw/zinc/04/47/44/176044744.db2.gz IKKCQPRFUIGZPD-LBPRGKRZSA-N 2 1 299.821 2.377 20 0 CEADMP Cn1cncc1CC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000656433157 415695901 /nfs/dbraw/zinc/69/59/01/415695901.db2.gz LFOVWQMRNCUYNY-KRWDZBQOSA-N 2 1 285.391 2.426 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1cnn2ccccc12 ZINC000071372578 176138477 /nfs/dbraw/zinc/13/84/77/176138477.db2.gz DKANZAJEMMAIJU-UHFFFAOYSA-N 2 1 260.385 2.156 20 0 CEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662253993 415719941 /nfs/dbraw/zinc/71/99/41/415719941.db2.gz DFCYKLUJLXUSJP-HUUCEWRRSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@]1(C)CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256628 415723824 /nfs/dbraw/zinc/72/38/24/415723824.db2.gz XCIDFKVMWWYOFH-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP FC(F)(F)CC[N@@H+](CC1CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257158 415726004 /nfs/dbraw/zinc/72/60/04/415726004.db2.gz AXQBTXZJBBIVCI-LBPRGKRZSA-N 2 1 292.345 2.172 20 0 CEADMP COc1cccc(SCC[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000662263498 415729633 /nfs/dbraw/zinc/72/96/33/415729633.db2.gz BVJAAZOMTMUPPR-QWHCGFSZSA-N 2 1 280.437 2.456 20 0 CEADMP CO[C@@H](C[N@@H+]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000662244359 415707075 /nfs/dbraw/zinc/70/70/75/415707075.db2.gz PQFSJADGPPFKBP-GJZGRUSLSA-N 2 1 254.418 2.395 20 0 CEADMP CO[C@@H](C[N@H+]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000662244359 415707079 /nfs/dbraw/zinc/70/70/79/415707079.db2.gz PQFSJADGPPFKBP-GJZGRUSLSA-N 2 1 254.418 2.395 20 0 CEADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc(C(C)(C)C)c1 ZINC000662246755 415707631 /nfs/dbraw/zinc/70/76/31/415707631.db2.gz RITBQJZYWUJODT-UHFFFAOYSA-N 2 1 289.467 2.321 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)C1CCCC1 ZINC000662244633 415707833 /nfs/dbraw/zinc/70/78/33/415707833.db2.gz JECQWCXPMFVSTQ-BPLDGKMQSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@H]2CCCCC2(C)C)CCO1 ZINC000662248089 415709723 /nfs/dbraw/zinc/70/97/23/415709723.db2.gz SRWLMLPQYUQLIP-BFHYXJOUSA-N 2 1 254.418 2.251 20 0 CEADMP COc1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249515 415712655 /nfs/dbraw/zinc/71/26/55/415712655.db2.gz WAOHRHSXKYLOGI-CJNGLKHVSA-N 2 1 290.407 2.209 20 0 CEADMP C[C@@H](c1cccs1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251294 415715895 /nfs/dbraw/zinc/71/58/95/415715895.db2.gz CMFFARYRTKGZPR-NWDGAFQWSA-N 2 1 266.410 2.262 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2c(c1)C[NH2+]CC2 ZINC000662275082 415742509 /nfs/dbraw/zinc/74/25/09/415742509.db2.gz RJSGWALCSKSOBQ-DOTOQJQBSA-N 3 1 299.462 2.154 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)C1CCCC1 ZINC000662280158 415746156 /nfs/dbraw/zinc/74/61/56/415746156.db2.gz CYXRSGAKNGNPOD-AEGPPILISA-N 2 1 254.418 2.108 20 0 CEADMP CC1CCN(C(=[NH2+])NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000656508682 415746329 /nfs/dbraw/zinc/74/63/29/415746329.db2.gz WROKPWISCRJXQD-ZDUSSCGKSA-N 2 1 266.433 2.115 20 0 CEADMP CCc1nocc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000662283082 415749141 /nfs/dbraw/zinc/74/91/41/415749141.db2.gz KKTMNNPCBQABIZ-GFCCVEGCSA-N 2 1 263.385 2.201 20 0 CEADMP Cc1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)co1 ZINC000659853154 415735315 /nfs/dbraw/zinc/73/53/15/415735315.db2.gz SEGAPNDRFNEWME-UHFFFAOYSA-N 2 1 251.374 2.147 20 0 CEADMP CCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298317 415762855 /nfs/dbraw/zinc/76/28/55/415762855.db2.gz VLRSINUTEKHXPD-GDBMZVCRSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@@H+](CCOCC[NH3+])C1CC(C)(C)CC(C)(C)C1 ZINC000662302252 415764142 /nfs/dbraw/zinc/76/41/42/415764142.db2.gz KZHAODIOLTYXGV-UHFFFAOYSA-N 2 1 256.434 2.498 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)[C@H]1CCO ZINC000662301639 415764707 /nfs/dbraw/zinc/76/47/07/415764707.db2.gz FZJBAOPNHQDAQS-ZBFHGGJFSA-N 2 1 268.445 2.249 20 0 CEADMP Fc1cccc([C@@H]2COCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000662309723 415770807 /nfs/dbraw/zinc/77/08/07/415770807.db2.gz CUWSCWLUMRMHIB-CJNGLKHVSA-N 2 1 278.371 2.199 20 0 CEADMP Fc1cccc([C@@H]2COCC[N@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000662309723 415770811 /nfs/dbraw/zinc/77/08/11/415770811.db2.gz CUWSCWLUMRMHIB-CJNGLKHVSA-N 2 1 278.371 2.199 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]1C[NH3+] ZINC000662284069 415750925 /nfs/dbraw/zinc/75/09/25/415750925.db2.gz SQXARBCYNUNDOF-CKEIUWERSA-N 3 1 287.451 2.138 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292471 415756553 /nfs/dbraw/zinc/75/65/53/415756553.db2.gz FKIJVRABHZSXHZ-QGZVFWFLSA-N 3 1 281.488 2.430 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CCC1 ZINC000662287298 415757079 /nfs/dbraw/zinc/75/70/79/415757079.db2.gz XZKVBQBTRQZWQE-LUKYLMHMSA-N 2 1 296.455 2.020 20 0 CEADMP c1c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)nn2c1CCC2 ZINC000662294580 415758551 /nfs/dbraw/zinc/75/85/51/415758551.db2.gz QYWPXJAGCRVCMZ-OAHLLOKOSA-N 2 1 288.439 2.041 20 0 CEADMP COc1cc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)sn1 ZINC000659882723 415758863 /nfs/dbraw/zinc/75/88/63/415758863.db2.gz MFRMRWFNRNMMKQ-LLVKDONJSA-N 2 1 278.381 2.185 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)sn1 ZINC000659882723 415758869 /nfs/dbraw/zinc/75/88/69/415758869.db2.gz MFRMRWFNRNMMKQ-LLVKDONJSA-N 2 1 278.381 2.185 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CCC1 ZINC000660013392 415849928 /nfs/dbraw/zinc/84/99/28/415849928.db2.gz WYRRZACFXDUWBW-HRCADAONSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1CCC1 ZINC000660013392 415849932 /nfs/dbraw/zinc/84/99/32/415849932.db2.gz WYRRZACFXDUWBW-HRCADAONSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1CCC1 ZINC000660013392 415849936 /nfs/dbraw/zinc/84/99/36/415849936.db2.gz WYRRZACFXDUWBW-HRCADAONSA-N 2 1 266.429 2.218 20 0 CEADMP CN(c1ccccc1)[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000662317460 415778735 /nfs/dbraw/zinc/77/87/35/415778735.db2.gz PTTAFGIRIIXQIV-RDJZCZTQSA-N 2 1 273.424 2.197 20 0 CEADMP c1ccc(O[C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000662318017 415779013 /nfs/dbraw/zinc/77/90/13/415779013.db2.gz WAESDUIMTSDLLZ-GOEBONIOSA-N 2 1 260.381 2.139 20 0 CEADMP CC(C)C[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325237 415780502 /nfs/dbraw/zinc/78/05/02/415780502.db2.gz DEASBRUIGNASOW-HUUCEWRRSA-N 2 1 256.434 2.464 20 0 CEADMP C[N@@H+](CCOCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000659949305 415799368 /nfs/dbraw/zinc/79/93/68/415799368.db2.gz SMBACDJAURZYRC-QGZVFWFLSA-N 2 1 276.424 2.477 20 0 CEADMP C[NH+](CCOCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000659949305 415799376 /nfs/dbraw/zinc/79/93/76/415799376.db2.gz SMBACDJAURZYRC-QGZVFWFLSA-N 2 1 276.424 2.477 20 0 CEADMP C[NH+](CCOCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000659949305 415799385 /nfs/dbraw/zinc/79/93/85/415799385.db2.gz SMBACDJAURZYRC-QGZVFWFLSA-N 2 1 276.424 2.477 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C2CCCC1CCC2 ZINC000659957538 415806392 /nfs/dbraw/zinc/80/63/92/415806392.db2.gz UMEXUTLGTGWWMU-NRXISQOPSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCc1ccc(F)cc1 ZINC000656701612 415822652 /nfs/dbraw/zinc/82/26/52/415822652.db2.gz YYSKBEXGTCANDM-INIZCTEOSA-N 2 1 282.403 2.001 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1ccc(F)cc1 ZINC000656701612 415822653 /nfs/dbraw/zinc/82/26/53/415822653.db2.gz YYSKBEXGTCANDM-INIZCTEOSA-N 2 1 282.403 2.001 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCc1ccc(F)cc1 ZINC000656701612 415822658 /nfs/dbraw/zinc/82/26/58/415822658.db2.gz YYSKBEXGTCANDM-INIZCTEOSA-N 2 1 282.403 2.001 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1ccc(F)cc1 ZINC000656701612 415822662 /nfs/dbraw/zinc/82/26/62/415822662.db2.gz YYSKBEXGTCANDM-INIZCTEOSA-N 2 1 282.403 2.001 20 0 CEADMP c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc(C[NH+]2CCCCC2)c1 ZINC000662517886 415871388 /nfs/dbraw/zinc/87/13/88/415871388.db2.gz SJZIHHHZGRLIRF-RTBURBONSA-N 3 1 299.462 2.324 20 0 CEADMP CC[C@H]([NH2+]C)C(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000662582910 415892878 /nfs/dbraw/zinc/89/28/78/415892878.db2.gz SEJBUJCKXNKSCO-HNNXBMFYSA-N 2 1 283.460 2.145 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787320 415861833 /nfs/dbraw/zinc/86/18/33/415861833.db2.gz XHDGJCZSFYEJRT-HZPDHXFCSA-N 3 1 267.461 2.071 20 0 CEADMP COc1cc(C)c(C[NH2+]CC2([NH3+])CCCC2)c(C)n1 ZINC000656789080 415863271 /nfs/dbraw/zinc/86/32/71/415863271.db2.gz IOHSLWXFZRJQHR-UHFFFAOYSA-N 2 1 263.385 2.068 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662713095 415940750 /nfs/dbraw/zinc/94/07/50/415940750.db2.gz XDBGYXUQBPKQDY-OKILXGFUSA-N 2 1 293.455 2.040 20 0 CEADMP Cc1cccc([C@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2)c1 ZINC000660250552 415943782 /nfs/dbraw/zinc/94/37/82/415943782.db2.gz ZCVJBLKIRJLPFO-ROUUACIJSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1cccc([C@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2)c1 ZINC000660250552 415943788 /nfs/dbraw/zinc/94/37/88/415943788.db2.gz ZCVJBLKIRJLPFO-ROUUACIJSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1cccc([C@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660250552 415943791 /nfs/dbraw/zinc/94/37/91/415943791.db2.gz ZCVJBLKIRJLPFO-ROUUACIJSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1cccc([C@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660250552 415943794 /nfs/dbraw/zinc/94/37/94/415943794.db2.gz ZCVJBLKIRJLPFO-ROUUACIJSA-N 2 1 290.451 2.485 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@@H]2CCCC[C@H]21 ZINC000660238601 415934443 /nfs/dbraw/zinc/93/44/43/415934443.db2.gz KWGPRWDRNBVFAZ-LVQVYYBASA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@@H]2CCCC[C@H]21 ZINC000660238601 415934447 /nfs/dbraw/zinc/93/44/47/415934447.db2.gz KWGPRWDRNBVFAZ-LVQVYYBASA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@@H]2CCCC[C@H]21 ZINC000660238601 415934452 /nfs/dbraw/zinc/93/44/52/415934452.db2.gz KWGPRWDRNBVFAZ-LVQVYYBASA-N 2 1 268.445 2.198 20 0 CEADMP C(C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000566559071 299002606 /nfs/dbraw/zinc/00/26/06/299002606.db2.gz SQWQZNCQCFCMAA-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP COC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192927686 227386627 /nfs/dbraw/zinc/38/66/27/227386627.db2.gz YBUKCHSMKOLPFZ-GOEBONIOSA-N 2 1 262.397 2.133 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000567314935 299051994 /nfs/dbraw/zinc/05/19/94/299051994.db2.gz DXORYKNOOBIYGK-OAGGEKHMSA-N 2 1 270.461 2.494 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC000666770389 419424423 /nfs/dbraw/zinc/42/44/23/419424423.db2.gz XVFHTHUFTMYFEJ-HZPDHXFCSA-N 2 1 274.408 2.284 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000666886283 419457375 /nfs/dbraw/zinc/45/73/75/419457375.db2.gz IWWHXWGLXMIYQT-KCQAQPDRSA-N 2 1 260.381 2.283 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc12 ZINC000666968808 419498772 /nfs/dbraw/zinc/49/87/72/419498772.db2.gz HFZVTJLNOWOYHJ-GOEBONIOSA-N 2 1 299.422 2.230 20 0 CEADMP Cc1[nH+]cc(CN(C)Cc2ccc3c(c2)OCCO3)n1C ZINC000667479508 419691261 /nfs/dbraw/zinc/69/12/61/419691261.db2.gz HOVSEZJITDFHIB-UHFFFAOYSA-N 2 1 287.363 2.132 20 0 CEADMP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1CCOCC1 ZINC000667616977 419732699 /nfs/dbraw/zinc/73/26/99/419732699.db2.gz CXFLLVSETHWYIC-UHFFFAOYSA-N 2 1 286.379 2.126 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN1CC[NH+](Cc2ccsc2)CC1 ZINC000666616120 419745120 /nfs/dbraw/zinc/74/51/20/419745120.db2.gz RRRAHWUFMISMCV-OAHLLOKOSA-N 2 1 281.469 2.239 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2cccc(C[NH3+])c2)C[C@H]1C ZINC000667724015 419783773 /nfs/dbraw/zinc/78/37/73/419783773.db2.gz SCFBYHWEJHSWHA-OLZOCXBDSA-N 2 1 290.411 2.092 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667733574 419784370 /nfs/dbraw/zinc/78/43/70/419784370.db2.gz JMFURXTUAQAZLV-CYBMUJFWSA-N 2 1 292.427 2.387 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000430573814 263300355 /nfs/dbraw/zinc/30/03/55/263300355.db2.gz MUQJSTNFLLUHLV-HUUCEWRRSA-N 2 1 261.413 2.182 20 0 CEADMP C[C@@H](CCC1CC1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000186331835 270249615 /nfs/dbraw/zinc/24/96/15/270249615.db2.gz XUNBNFFMNYKMQQ-GOEBONIOSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@H]1CCCC[C@@H]1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441359286 263794413 /nfs/dbraw/zinc/79/44/13/263794413.db2.gz WGVBUKNHEHCGCW-JKSUJKDBSA-N 2 1 281.488 2.428 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCCCC(C)(C)C2)n1C ZINC000425346088 264017811 /nfs/dbraw/zinc/01/78/11/264017811.db2.gz VZOFTSODTAFPBK-UHFFFAOYSA-N 2 1 264.417 2.498 20 0 CEADMP CS[C@@H]1CC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000425351666 264122534 /nfs/dbraw/zinc/12/25/34/264122534.db2.gz MEPXULKEJLSOPU-ZIAGYGMSSA-N 2 1 284.469 2.115 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000011888505 265309450 /nfs/dbraw/zinc/30/94/50/265309450.db2.gz BXEGIFWDCDZEGC-AWEZNQCLSA-N 2 1 250.361 2.429 20 0 CEADMP CC(C)(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000519179127 265355732 /nfs/dbraw/zinc/35/57/32/265355732.db2.gz YCSVVGZCAOWPRX-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(C[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)n(C)n1 ZINC000417938529 533686898 /nfs/dbraw/zinc/68/68/98/533686898.db2.gz IWGRKWACKVCABN-UHFFFAOYSA-N 2 1 299.422 2.191 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C2CCCC2)CC1 ZINC000192718361 270279593 /nfs/dbraw/zinc/27/95/93/270279593.db2.gz GTZKQRMZOUEYKX-UHFFFAOYSA-N 2 1 267.461 2.277 20 0 CEADMP COc1ncccc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000193442857 270285144 /nfs/dbraw/zinc/28/51/44/270285144.db2.gz YSOIGEJCRCZVCB-UHFFFAOYSA-N 2 1 274.368 2.117 20 0 CEADMP COc1ncccc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000193442857 270285146 /nfs/dbraw/zinc/28/51/46/270285146.db2.gz YSOIGEJCRCZVCB-UHFFFAOYSA-N 2 1 274.368 2.117 20 0 CEADMP [NH3+]C1(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCCCC1 ZINC000237943353 270325048 /nfs/dbraw/zinc/32/50/48/270325048.db2.gz GZXOZPCOXOPDDZ-OAHLLOKOSA-N 2 1 293.455 2.029 20 0 CEADMP C(CC1CCCCC1)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000395073627 270344483 /nfs/dbraw/zinc/34/44/83/270344483.db2.gz LKVWZTWMKJVFMX-QGZVFWFLSA-N 2 1 279.472 2.326 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)oc1C ZINC000397249395 270352673 /nfs/dbraw/zinc/35/26/73/270352673.db2.gz BZQCVVCWCZJNQG-GVXVVHGQSA-N 2 1 294.395 2.180 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)oc1C ZINC000397249395 270352675 /nfs/dbraw/zinc/35/26/75/270352675.db2.gz BZQCVVCWCZJNQG-GVXVVHGQSA-N 2 1 294.395 2.180 20 0 CEADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1O ZINC000397399627 270353581 /nfs/dbraw/zinc/35/35/81/270353581.db2.gz IPWIHWJYWVANEC-SCRDCRAPSA-N 2 1 278.396 2.206 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC([NH3+])(CC)CC)C[C@H]1C ZINC000418427776 270373000 /nfs/dbraw/zinc/37/30/00/270373000.db2.gz OVNOQKRGRKYIIZ-ZIAGYGMSSA-N 2 1 298.475 2.018 20 0 CEADMP Cc1ccc([C@H]2CCCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420298458 270508775 /nfs/dbraw/zinc/50/87/75/270508775.db2.gz HDOFKESGWFCZEB-GOSISDBHSA-N 2 1 287.451 2.427 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422822863 270785169 /nfs/dbraw/zinc/78/51/69/270785169.db2.gz KYHLZQVUXOHENA-WBVHZDCISA-N 2 1 277.456 2.266 20 0 CEADMP COc1ccc(OCCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422899255 270801191 /nfs/dbraw/zinc/80/11/91/270801191.db2.gz OANPKQNPGJDZSU-XJKSGUPXSA-N 2 1 278.396 2.194 20 0 CEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000423016877 270819955 /nfs/dbraw/zinc/81/99/55/270819955.db2.gz UXAYTTXXUXMADV-AWEZNQCLSA-N 2 1 284.407 2.334 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000423056213 270824991 /nfs/dbraw/zinc/82/49/91/270824991.db2.gz FOCBOAOPVCYULU-UKRRQHHQSA-N 2 1 285.391 2.057 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](COC)c1cccc(Cl)c1 ZINC000423269551 270885456 /nfs/dbraw/zinc/88/54/56/270885456.db2.gz HEGRUMLAAAGOLL-SMDDNHRTSA-N 2 1 270.804 2.473 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000423444249 270912709 /nfs/dbraw/zinc/91/27/09/270912709.db2.gz LMMMRRBDZWQJFJ-UTUOFQBUSA-N 2 1 264.369 2.234 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000423778914 270944471 /nfs/dbraw/zinc/94/44/71/270944471.db2.gz UNTYRUMUROCCKD-LZWOXQAQSA-N 2 1 283.460 2.131 20 0 CEADMP C[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424130248 271021057 /nfs/dbraw/zinc/02/10/57/271021057.db2.gz HGEZKYIBNKOMOL-JKSUJKDBSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CCOCC(F)(F)F)CC[NH2+]CC2 ZINC000424284685 271038693 /nfs/dbraw/zinc/03/86/93/271038693.db2.gz DOQHQQIBCKHPML-NSHDSACASA-N 2 1 280.334 2.029 20 0 CEADMP CC(C)[C@@H](c1nc(C2([NH3+])CCCCC2)no1)[NH+](C)C ZINC000424340381 271048220 /nfs/dbraw/zinc/04/82/20/271048220.db2.gz GRZFHLZXDCNMMW-NSHDSACASA-N 2 1 266.389 2.446 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCC[C@@H]2C(C)(C)C)n1C ZINC000425322624 271154918 /nfs/dbraw/zinc/15/49/18/271154918.db2.gz HTBQREWYGVPBCY-CYBMUJFWSA-N 2 1 264.417 2.497 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1(c2ccccc2)CCCC1 ZINC000428217605 271247593 /nfs/dbraw/zinc/24/75/93/271247593.db2.gz SWEFBMNPCMQXPB-DOTOQJQBSA-N 2 1 290.451 2.399 20 0 CEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1ccc2c(c1)CCO2 ZINC000430582106 271395070 /nfs/dbraw/zinc/39/50/70/271395070.db2.gz KBCZOIBSZWQKKK-MRXNPFEDSA-N 2 1 262.397 2.127 20 0 CEADMP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430593225 271396602 /nfs/dbraw/zinc/39/66/02/271396602.db2.gz ONKLYYUGWSZSBP-TUVASFSCSA-N 2 1 297.487 2.233 20 0 CEADMP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430593225 271396604 /nfs/dbraw/zinc/39/66/04/271396604.db2.gz ONKLYYUGWSZSBP-TUVASFSCSA-N 2 1 297.487 2.233 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430969190 271418986 /nfs/dbraw/zinc/41/89/86/271418986.db2.gz YTHHQBVZUJKLBS-HUUCEWRRSA-N 2 1 262.397 2.433 20 0 CEADMP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C(C)C ZINC000436054149 271647489 /nfs/dbraw/zinc/64/74/89/271647489.db2.gz GYMANHPGSQQLRS-GFCCVEGCSA-N 2 1 253.415 2.271 20 0 CEADMP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)C(C)C ZINC000436054149 271647492 /nfs/dbraw/zinc/64/74/92/271647492.db2.gz GYMANHPGSQQLRS-GFCCVEGCSA-N 2 1 253.415 2.271 20 0 CEADMP CC(C)[C@H]1C[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CS1 ZINC000443066810 271850273 /nfs/dbraw/zinc/85/02/73/271850273.db2.gz HZPQYIQXQMWAJU-HUUCEWRRSA-N 2 1 299.528 2.132 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000346093378 274049539 /nfs/dbraw/zinc/04/95/39/274049539.db2.gz HPMFOVMPJBVMRZ-OKZBNKHCSA-N 2 1 288.435 2.461 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000346093378 274049540 /nfs/dbraw/zinc/04/95/40/274049540.db2.gz HPMFOVMPJBVMRZ-OKZBNKHCSA-N 2 1 288.435 2.461 20 0 CEADMP COc1c(C)cnc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1C ZINC000358503714 274087938 /nfs/dbraw/zinc/08/79/38/274087938.db2.gz FHBFJOGGBHSCED-UHFFFAOYSA-N 2 1 289.423 2.283 20 0 CEADMP COc1cc2c(c(C[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)c1)O[C@@H](C)C2 ZINC000414956233 274100450 /nfs/dbraw/zinc/10/04/50/274100450.db2.gz VBFYFMFTJPJFSR-SLEUVZQESA-N 2 1 290.407 2.249 20 0 CEADMP C[C@]1(F)C[NH2+]CCN(c2cc[nH+]c3ccsc32)C1 ZINC000335004931 274652431 /nfs/dbraw/zinc/65/24/31/274652431.db2.gz JMDLEGZYLPCNQJ-ZDUSSCGKSA-N 2 1 265.357 2.434 20 0 CEADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154355960 275668588 /nfs/dbraw/zinc/66/85/88/275668588.db2.gz DBGIJSOBMQYYEX-DLBZAZTESA-N 2 1 278.440 2.156 20 0 CEADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000181921854 275795313 /nfs/dbraw/zinc/79/53/13/275795313.db2.gz XKTJFBJNJASYEA-GFCCVEGCSA-N 2 1 275.396 2.390 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC[C@H]1CC ZINC000354444655 276010049 /nfs/dbraw/zinc/01/00/49/276010049.db2.gz LBMCEKJFJXXIEP-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000354444655 276010050 /nfs/dbraw/zinc/01/00/50/276010050.db2.gz LBMCEKJFJXXIEP-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000354444655 276010051 /nfs/dbraw/zinc/01/00/51/276010051.db2.gz LBMCEKJFJXXIEP-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CC(C)C)CC1 ZINC000362735608 276158086 /nfs/dbraw/zinc/15/80/86/276158086.db2.gz LAZSTGFAQFSQDP-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000362735608 276158087 /nfs/dbraw/zinc/15/80/87/276158087.db2.gz LAZSTGFAQFSQDP-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000362735608 276158088 /nfs/dbraw/zinc/15/80/88/276158088.db2.gz LAZSTGFAQFSQDP-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000303978638 276198714 /nfs/dbraw/zinc/19/87/14/276198714.db2.gz DKEWOTURWZHVAB-HNNXBMFYSA-N 2 1 268.445 2.201 20 0 CEADMP CCC(C)(C)[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338269034 276207869 /nfs/dbraw/zinc/20/78/69/276207869.db2.gz CJHBFZKAXDFRNR-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC(C)(C)[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338269034 276207870 /nfs/dbraw/zinc/20/78/70/276207870.db2.gz CJHBFZKAXDFRNR-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CCCO[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346840558 276267180 /nfs/dbraw/zinc/26/71/80/276267180.db2.gz GIECPDOAIMYGSL-LSDHHAIUSA-N 2 1 254.418 2.267 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000367574564 276324562 /nfs/dbraw/zinc/32/45/62/276324562.db2.gz KGDJAFZYKMGKLK-CYBMUJFWSA-N 2 1 296.377 2.498 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000367574564 276324563 /nfs/dbraw/zinc/32/45/63/276324563.db2.gz KGDJAFZYKMGKLK-CYBMUJFWSA-N 2 1 296.377 2.498 20 0 CEADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000344662150 276330884 /nfs/dbraw/zinc/33/08/84/276330884.db2.gz FNMAPZGIEKUIJF-GDBMZVCRSA-N 2 1 291.439 2.136 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1(C)C ZINC000247029496 276345621 /nfs/dbraw/zinc/34/56/21/276345621.db2.gz VKHDYUBBXVXZDU-BPLDGKMQSA-N 2 1 266.429 2.264 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000250398549 276360452 /nfs/dbraw/zinc/36/04/52/276360452.db2.gz YWSASQBWGXZFNO-RBSFLKMASA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@H](CCO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000131848864 276566078 /nfs/dbraw/zinc/56/60/78/276566078.db2.gz DTZKDXRHUNFAJU-QGZVFWFLSA-N 2 1 290.451 2.444 20 0 CEADMP CCc1cccnc1[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000356905746 276680709 /nfs/dbraw/zinc/68/07/09/276680709.db2.gz VAEWFYLAGGHINV-GFCCVEGCSA-N 2 1 258.369 2.500 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCOc3ccccc32)CC1 ZINC000135736742 277030962 /nfs/dbraw/zinc/03/09/62/277030962.db2.gz GNVKSGGLFAMXNF-ZDUSSCGKSA-N 2 1 260.381 2.237 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000414846287 277031330 /nfs/dbraw/zinc/03/13/30/277031330.db2.gz UOPWYBQBHUAUGP-YQQAZPJKSA-N 3 1 281.488 2.475 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000281615111 277031361 /nfs/dbraw/zinc/03/13/61/277031361.db2.gz BNGSWLLTAQYUJQ-ZDUSSCGKSA-N 2 1 269.392 2.319 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000366401849 277044163 /nfs/dbraw/zinc/04/41/63/277044163.db2.gz OONAJROHVJCRFI-OAGGEKHMSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000366401849 277044165 /nfs/dbraw/zinc/04/41/65/277044165.db2.gz OONAJROHVJCRFI-OAGGEKHMSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000366401849 277044166 /nfs/dbraw/zinc/04/41/66/277044166.db2.gz OONAJROHVJCRFI-OAGGEKHMSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000366401849 277044167 /nfs/dbraw/zinc/04/41/67/277044167.db2.gz OONAJROHVJCRFI-OAGGEKHMSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000351178274 277045982 /nfs/dbraw/zinc/04/59/82/277045982.db2.gz AAEJKOOPDLPVEW-CABCVRRESA-N 2 1 276.428 2.464 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000351178274 277045983 /nfs/dbraw/zinc/04/59/83/277045983.db2.gz AAEJKOOPDLPVEW-CABCVRRESA-N 2 1 276.428 2.464 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000351178274 277045985 /nfs/dbraw/zinc/04/59/85/277045985.db2.gz AAEJKOOPDLPVEW-CABCVRRESA-N 2 1 276.428 2.464 20 0 CEADMP COC1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000414184540 277193708 /nfs/dbraw/zinc/19/37/08/277193708.db2.gz ORRBZSOJYTVTLA-WMUDQEJXSA-N 2 1 254.418 2.262 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000354645272 277307488 /nfs/dbraw/zinc/30/74/88/277307488.db2.gz INOWSZQPOYBOHV-CQSZACIVSA-N 2 1 284.444 2.430 20 0 CEADMP CC(C)([NH3+])C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000335597006 277307876 /nfs/dbraw/zinc/30/78/76/277307876.db2.gz GIYQNCZSLOYNDU-CYBMUJFWSA-N 2 1 250.411 2.344 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1CC[NH3+])OCO2 ZINC000352526223 277391359 /nfs/dbraw/zinc/39/13/59/277391359.db2.gz LPZCQUBPDHXBPH-CYBMUJFWSA-N 2 1 292.379 2.127 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CCCC[C@@H]1CC[NH3+])OCO2 ZINC000352526223 277391362 /nfs/dbraw/zinc/39/13/62/277391362.db2.gz LPZCQUBPDHXBPH-CYBMUJFWSA-N 2 1 292.379 2.127 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCO1 ZINC000356666680 278013229 /nfs/dbraw/zinc/01/32/29/278013229.db2.gz ABFBKSNHGJKTFQ-VQJWOFKYSA-N 2 1 254.418 2.120 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346845098 278167429 /nfs/dbraw/zinc/16/74/29/278167429.db2.gz ZDVLHONYRZKNFM-OEAJRASXSA-N 2 1 266.429 2.108 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414961329 278216340 /nfs/dbraw/zinc/21/63/40/278216340.db2.gz YUPVJPPAVHZRRW-APIJFGDWSA-N 3 1 253.434 2.027 20 0 CEADMP C[C@@H](CC[NH3+])[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000414891639 278231056 /nfs/dbraw/zinc/23/10/56/278231056.db2.gz VWFNVALVGVWPCL-UWVGGRQHSA-N 2 1 253.415 2.095 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)C1C[NH2+]C1 ZINC000335022075 278374014 /nfs/dbraw/zinc/37/40/14/278374014.db2.gz DBHFBBBDBGSWSA-NOZJJQNGSA-N 2 1 266.772 2.361 20 0 CEADMP CC1(C)C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C(C)(C)O1 ZINC000305112222 278388372 /nfs/dbraw/zinc/38/83/72/278388372.db2.gz GLIXUQSPFYPGBZ-CABCVRRESA-N 2 1 298.471 2.159 20 0 CEADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]2CCO[C@@H]21 ZINC000085634894 278443533 /nfs/dbraw/zinc/44/35/33/278443533.db2.gz UCYUEIDKNHHYCD-ZNMIVQPWSA-N 2 1 264.413 2.016 20 0 CEADMP CC[NH+](CC)CC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340503649 279087174 /nfs/dbraw/zinc/08/71/74/279087174.db2.gz ONPUFQAMIHMCOW-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](CC)CC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000357831297 279089771 /nfs/dbraw/zinc/08/97/71/279089771.db2.gz OMGBIXGFLJAVDM-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000338345827 279094296 /nfs/dbraw/zinc/09/42/96/279094296.db2.gz BDFAPVOLXMURPI-HUUCEWRRSA-N 2 1 256.434 2.344 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000358411516 288101301 /nfs/dbraw/zinc/10/13/01/288101301.db2.gz ZGKNIAUBFCQRLY-YCPHGPKFSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000358411516 288101303 /nfs/dbraw/zinc/10/13/03/288101303.db2.gz ZGKNIAUBFCQRLY-YCPHGPKFSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000157786446 288102043 /nfs/dbraw/zinc/10/20/43/288102043.db2.gz WGWJLPJVGAUPTC-CQOGHXNDSA-N 2 1 266.429 2.262 20 0 CEADMP CC(C)C[C@]1(CO)CCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414761743 279239377 /nfs/dbraw/zinc/23/93/77/279239377.db2.gz UQJMERKPKINYMM-JYJNAYRXSA-N 2 1 268.445 2.248 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000361762849 279256961 /nfs/dbraw/zinc/25/69/61/279256961.db2.gz FIRIPHAQYJXSEU-GDBMZVCRSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CCN(C)C[C@H]2C)CC1 ZINC000361762849 279256962 /nfs/dbraw/zinc/25/69/62/279256962.db2.gz FIRIPHAQYJXSEU-GDBMZVCRSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCCC[C@H]1C ZINC000245931692 279266940 /nfs/dbraw/zinc/26/69/40/279266940.db2.gz YWAPDPFIXKSRCC-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000245931692 279266941 /nfs/dbraw/zinc/26/69/41/279266941.db2.gz YWAPDPFIXKSRCC-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000245931692 279266942 /nfs/dbraw/zinc/26/69/42/279266942.db2.gz YWAPDPFIXKSRCC-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H](C[N@H+](C)C[C@H](O)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000415065138 279281142 /nfs/dbraw/zinc/28/11/42/279281142.db2.gz FLJNKWHQNBTLOB-ZWNOBZJWSA-N 2 1 290.329 2.060 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@H](O)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000415065138 279281145 /nfs/dbraw/zinc/28/11/45/279281145.db2.gz FLJNKWHQNBTLOB-ZWNOBZJWSA-N 2 1 290.329 2.060 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353447365 279355233 /nfs/dbraw/zinc/35/52/33/279355233.db2.gz LBPLVSXMIASWRZ-XHSDSOJGSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353447365 279355223 /nfs/dbraw/zinc/35/52/23/279355223.db2.gz LBPLVSXMIASWRZ-XHSDSOJGSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353447365 279355227 /nfs/dbraw/zinc/35/52/27/279355227.db2.gz LBPLVSXMIASWRZ-XHSDSOJGSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353447365 279355228 /nfs/dbraw/zinc/35/52/28/279355228.db2.gz LBPLVSXMIASWRZ-XHSDSOJGSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353447365 279355229 /nfs/dbraw/zinc/35/52/29/279355229.db2.gz LBPLVSXMIASWRZ-XHSDSOJGSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353447365 279355235 /nfs/dbraw/zinc/35/52/35/279355235.db2.gz LBPLVSXMIASWRZ-XHSDSOJGSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353447365 279355237 /nfs/dbraw/zinc/35/52/37/279355237.db2.gz LBPLVSXMIASWRZ-XHSDSOJGSA-N 3 1 267.461 2.179 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CC[NH2+]CC2)C[C@@H]1C ZINC000359209813 279397767 /nfs/dbraw/zinc/39/77/67/279397767.db2.gz LHADMAFJOCQFLX-GOEBONIOSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)C[C@@H]1C ZINC000359209813 279397768 /nfs/dbraw/zinc/39/77/68/279397768.db2.gz LHADMAFJOCQFLX-GOEBONIOSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)C[C@@H]1C ZINC000359209813 279397769 /nfs/dbraw/zinc/39/77/69/279397769.db2.gz LHADMAFJOCQFLX-GOEBONIOSA-N 3 1 267.461 2.181 20 0 CEADMP CCN1CC[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)C[C@@H]1C ZINC000359209813 279397770 /nfs/dbraw/zinc/39/77/70/279397770.db2.gz LHADMAFJOCQFLX-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)C[C@@H]1C ZINC000359209813 279397771 /nfs/dbraw/zinc/39/77/71/279397771.db2.gz LHADMAFJOCQFLX-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP CCS[C@@H]1CCCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351494725 280042785 /nfs/dbraw/zinc/04/27/85/280042785.db2.gz YSULANDONQEOEK-HUUCEWRRSA-N 2 1 286.485 2.049 20 0 CEADMP CCS[C@@H]1CCCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351494725 280042789 /nfs/dbraw/zinc/04/27/89/280042789.db2.gz YSULANDONQEOEK-HUUCEWRRSA-N 2 1 286.485 2.049 20 0 CEADMP CCS[C@@H]1CCCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351494725 280042790 /nfs/dbraw/zinc/04/27/90/280042790.db2.gz YSULANDONQEOEK-HUUCEWRRSA-N 2 1 286.485 2.049 20 0 CEADMP CCS[C@@H]1CCCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351494725 280042792 /nfs/dbraw/zinc/04/27/92/280042792.db2.gz YSULANDONQEOEK-HUUCEWRRSA-N 2 1 286.485 2.049 20 0 CEADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351595001 280044569 /nfs/dbraw/zinc/04/45/69/280044569.db2.gz PWLDGECXWWFPDS-QLFBSQMISA-N 2 1 286.485 2.095 20 0 CEADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351595001 280044571 /nfs/dbraw/zinc/04/45/71/280044571.db2.gz PWLDGECXWWFPDS-QLFBSQMISA-N 2 1 286.485 2.095 20 0 CEADMP CC[N@@H+](CC(=O)NCCCC[NH+]1CCC[C@H](C)C1)C1CC1 ZINC000135965115 280056847 /nfs/dbraw/zinc/05/68/47/280056847.db2.gz WRZMIADIPOIIHA-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000135965115 280056850 /nfs/dbraw/zinc/05/68/50/280056850.db2.gz WRZMIADIPOIIHA-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H](NCC[C@H]1CCC[N@H+]1C)c1cn(-c2ccccc2)nn1 ZINC000185457221 280124426 /nfs/dbraw/zinc/12/44/26/280124426.db2.gz GDBXCYCDSNWNME-LSDHHAIUSA-N 2 1 299.422 2.402 20 0 CEADMP CC[C@@H](C[NH2+]C1CCC(C(=O)OC)CC1)[NH+]1CCCC1 ZINC000192438967 280144006 /nfs/dbraw/zinc/14/40/06/280144006.db2.gz MIGPSYPFDYBWQS-NRXISQOPSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000235144030 280221076 /nfs/dbraw/zinc/22/10/76/280221076.db2.gz UBQBCKVZADXYES-UWVGGRQHSA-N 2 1 271.202 2.317 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000236827076 280222327 /nfs/dbraw/zinc/22/23/27/280222327.db2.gz SGKMORHRQLEKTN-ZIAGYGMSSA-N 2 1 292.427 2.030 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccccn2)[C@@H](C)C1 ZINC000246421492 280292805 /nfs/dbraw/zinc/29/28/05/280292805.db2.gz BWKFZWGIAIRMLI-GOEBONIOSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccccn2)[C@@H](C)C1 ZINC000246421492 280292807 /nfs/dbraw/zinc/29/28/07/280292807.db2.gz BWKFZWGIAIRMLI-GOEBONIOSA-N 2 1 261.413 2.286 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247034770 280318583 /nfs/dbraw/zinc/31/85/83/280318583.db2.gz LMBIQOXJFPVMPU-GUTXKFCHSA-N 2 1 276.428 2.260 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000247049860 280318965 /nfs/dbraw/zinc/31/89/65/280318965.db2.gz NFBGVWBILGMEQR-ZJIFWQFVSA-N 2 1 267.461 2.037 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000247049860 280318968 /nfs/dbraw/zinc/31/89/68/280318968.db2.gz NFBGVWBILGMEQR-ZJIFWQFVSA-N 2 1 267.461 2.037 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000247049860 280318972 /nfs/dbraw/zinc/31/89/72/280318972.db2.gz NFBGVWBILGMEQR-ZJIFWQFVSA-N 2 1 267.461 2.037 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000247049860 280318975 /nfs/dbraw/zinc/31/89/75/280318975.db2.gz NFBGVWBILGMEQR-ZJIFWQFVSA-N 3 1 267.461 2.037 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000247049860 280318978 /nfs/dbraw/zinc/31/89/78/280318978.db2.gz NFBGVWBILGMEQR-ZJIFWQFVSA-N 3 1 267.461 2.037 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000247049860 280318980 /nfs/dbraw/zinc/31/89/80/280318980.db2.gz NFBGVWBILGMEQR-ZJIFWQFVSA-N 3 1 267.461 2.037 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000247049860 280318984 /nfs/dbraw/zinc/31/89/84/280318984.db2.gz NFBGVWBILGMEQR-ZJIFWQFVSA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)CC[N@@H+]1C ZINC000248184772 280343133 /nfs/dbraw/zinc/34/31/33/280343133.db2.gz XCBRBQVYMSTAAU-AGIUHOORSA-N 2 1 254.418 2.405 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)CC[N@H+]1C ZINC000248184772 280343134 /nfs/dbraw/zinc/34/31/34/280343134.db2.gz XCBRBQVYMSTAAU-AGIUHOORSA-N 2 1 254.418 2.405 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccc(C)cc2)[C@H](C)C1 ZINC000248886026 280371943 /nfs/dbraw/zinc/37/19/43/280371943.db2.gz XUAHGAJWRVBUTH-NXHRZFHOSA-N 2 1 290.451 2.218 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422838011 280931478 /nfs/dbraw/zinc/93/14/78/280931478.db2.gz NNHNVKSYDOUPNA-DZKIICNBSA-N 3 1 267.461 2.085 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422926835 280968576 /nfs/dbraw/zinc/96/85/76/280968576.db2.gz XPPMTOGEDVRPKU-YDHLFZDLSA-N 2 1 292.423 2.365 20 0 CEADMP C[C@@H]1[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)CCC[N@H+]1C ZINC000423029282 281000488 /nfs/dbraw/zinc/00/04/88/281000488.db2.gz HZJXKBXJGBUXNE-MPESAESLSA-N 2 1 259.397 2.204 20 0 CEADMP Cc1cnc([C@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000423032234 281003073 /nfs/dbraw/zinc/00/30/73/281003073.db2.gz FCDPHTFDFJPLEM-USWWRNFRSA-N 2 1 253.415 2.285 20 0 CEADMP CC1(C)[C@H]([NH2+][C@H]2CC[NH2+]C2)C[C@@H]1OCc1ccccc1 ZINC000423050671 281010325 /nfs/dbraw/zinc/01/03/25/281010325.db2.gz LQYTXCYDQYZDHT-XHSDSOJGSA-N 2 1 274.408 2.322 20 0 CEADMP COC[C@@]1(C[NH2+][C@H]2CCCc3ccccc32)CCC[NH2+]1 ZINC000423415599 281034819 /nfs/dbraw/zinc/03/48/19/281034819.db2.gz DVLKUGMATBLXHO-IRXDYDNUSA-N 2 1 274.408 2.422 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000423435399 281040473 /nfs/dbraw/zinc/04/04/73/281040473.db2.gz DTWBEDPNGBMUPM-AGIUHOORSA-N 2 1 258.369 2.259 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000423438401 281042382 /nfs/dbraw/zinc/04/23/82/281042382.db2.gz VDKGRBCMOXYZOF-SLEUVZQESA-N 2 1 287.407 2.061 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2[NH2+]CCc3ccccc32)C[N@H+]1C1CC1 ZINC000423439788 281042914 /nfs/dbraw/zinc/04/29/14/281042914.db2.gz VLNAAZMRQDBLAS-QIIPPGSGSA-N 2 1 285.435 2.088 20 0 CEADMP CC[C@H]([NH3+])CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423440092 281043478 /nfs/dbraw/zinc/04/34/78/281043478.db2.gz ALMKXNLHJXFWJD-OIISXLGYSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)[C@H](C)[NH3+] ZINC000423446107 281044485 /nfs/dbraw/zinc/04/44/85/281044485.db2.gz NUHCOLSCMZOPPP-TUAOUCFPSA-N 2 1 290.411 2.357 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423447417 281045788 /nfs/dbraw/zinc/04/57/88/281045788.db2.gz OYJZXYNGHCSDIJ-AGIUHOORSA-N 2 1 258.369 2.259 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CN)C1CCCC1 ZINC000423496685 281056086 /nfs/dbraw/zinc/05/60/86/281056086.db2.gz FIVFWOGIEUIBCY-BLLLJJGKSA-N 2 1 276.428 2.017 20 0 CEADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000423518451 281060945 /nfs/dbraw/zinc/06/09/45/281060945.db2.gz OSBANBKWUODVJV-HOCLYGCPSA-N 2 1 293.480 2.473 20 0 CEADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000423529270 281062840 /nfs/dbraw/zinc/06/28/40/281062840.db2.gz XQFBKTFYCNJEDR-GDBMZVCRSA-N 2 1 262.397 2.333 20 0 CEADMP CC[N@H+](Cc1cnn(C)c1)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424277187 281142506 /nfs/dbraw/zinc/14/25/06/281142506.db2.gz BQLPZIYDEBPZIF-HNNXBMFYSA-N 2 1 290.386 2.124 20 0 CEADMP C[NH+](C)CC1CC[NH+](C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424303868 281145007 /nfs/dbraw/zinc/14/50/07/281145007.db2.gz PMEDSIMRZFICIB-MRXNPFEDSA-N 3 1 293.430 2.142 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)n1 ZINC000430129708 281264751 /nfs/dbraw/zinc/26/47/51/281264751.db2.gz ISMGUBGOXRZYFI-KRWDZBQOSA-N 2 1 289.423 2.235 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)n1 ZINC000430129708 281264754 /nfs/dbraw/zinc/26/47/54/281264754.db2.gz ISMGUBGOXRZYFI-KRWDZBQOSA-N 2 1 289.423 2.235 20 0 CEADMP COc1cc(C)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(C)n1 ZINC000430129708 281264756 /nfs/dbraw/zinc/26/47/56/281264756.db2.gz ISMGUBGOXRZYFI-KRWDZBQOSA-N 2 1 289.423 2.235 20 0 CEADMP COc1cc(C)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)n1 ZINC000430129708 281264758 /nfs/dbraw/zinc/26/47/58/281264758.db2.gz ISMGUBGOXRZYFI-KRWDZBQOSA-N 2 1 289.423 2.235 20 0 CEADMP Cc1ccc(CCC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cn1 ZINC000430145383 281266649 /nfs/dbraw/zinc/26/66/49/281266649.db2.gz GETDGFFGMIOYTG-KRWDZBQOSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC000430145383 281266653 /nfs/dbraw/zinc/26/66/53/281266653.db2.gz GETDGFFGMIOYTG-KRWDZBQOSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC000430145383 281266656 /nfs/dbraw/zinc/26/66/56/281266656.db2.gz GETDGFFGMIOYTG-KRWDZBQOSA-N 2 1 273.424 2.350 20 0 CEADMP CCO[C@H](C)c1nc(C[NH+]2CCC(C[NH3+])CC2)cs1 ZINC000430624295 281270886 /nfs/dbraw/zinc/27/08/86/281270886.db2.gz OVSIGSBDQSONLP-LLVKDONJSA-N 2 1 283.441 2.411 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CCOC2CCCCCC2)C1 ZINC000430628221 281271459 /nfs/dbraw/zinc/27/14/59/281271459.db2.gz UWYVPPLNJPUUQL-CQSZACIVSA-N 2 1 254.418 2.397 20 0 CEADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430931188 281281889 /nfs/dbraw/zinc/28/18/89/281281889.db2.gz VMTODWBQCYNDRI-UONOGXRCSA-N 2 1 297.402 2.447 20 0 CEADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430931188 281281892 /nfs/dbraw/zinc/28/18/92/281281892.db2.gz VMTODWBQCYNDRI-UONOGXRCSA-N 2 1 297.402 2.447 20 0 CEADMP Cn1c2cc(F)ccc2[nH+]c1NCC(C)(C)C[NH+](C)C ZINC000431041799 281288285 /nfs/dbraw/zinc/28/82/85/281288285.db2.gz ZGNWVCJHVWBPRH-UHFFFAOYSA-N 2 1 278.375 2.134 20 0 CEADMP Cc1ncsc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432354336 281324361 /nfs/dbraw/zinc/32/43/61/281324361.db2.gz WBNDSQQXCMSPRF-GFCCVEGCSA-N 2 1 283.441 2.042 20 0 CEADMP Cc1ncsc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432354336 281324363 /nfs/dbraw/zinc/32/43/63/281324363.db2.gz WBNDSQQXCMSPRF-GFCCVEGCSA-N 2 1 283.441 2.042 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC(C)(C)C2)CCCO1 ZINC000433093456 281364991 /nfs/dbraw/zinc/36/49/91/281364991.db2.gz UPCIJBWJLVGXJI-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC(C)(C)C2)CCCO1 ZINC000433093456 281364993 /nfs/dbraw/zinc/36/49/93/281364993.db2.gz UPCIJBWJLVGXJI-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP CC1(C)CC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000433124876 281367063 /nfs/dbraw/zinc/36/70/63/281367063.db2.gz GQUSWUMVUKGGTM-AWEZNQCLSA-N 2 1 254.418 2.002 20 0 CEADMP CC[N@H+](Cc1cccc(O)c1OC)[C@H]1CCC[NH2+]CC1 ZINC000435378147 281385943 /nfs/dbraw/zinc/38/59/43/281385943.db2.gz CFRJHNLJFVICML-AWEZNQCLSA-N 2 1 278.396 2.365 20 0 CEADMP CC[N@@H+](Cc1cccc(O)c1OC)[C@H]1CCC[NH2+]CC1 ZINC000435378147 281385944 /nfs/dbraw/zinc/38/59/44/281385944.db2.gz CFRJHNLJFVICML-AWEZNQCLSA-N 2 1 278.396 2.365 20 0 CEADMP CC[N@H+](Cc1cc(C(=O)OC)c(C)o1)[C@H]1CCC[NH2+]CC1 ZINC000435383177 281386867 /nfs/dbraw/zinc/38/68/67/281386867.db2.gz GTCGKSFGOZGGQL-ZDUSSCGKSA-N 2 1 294.395 2.339 20 0 CEADMP CC[N@@H+](Cc1cc(C(=O)OC)c(C)o1)[C@H]1CCC[NH2+]CC1 ZINC000435383177 281386872 /nfs/dbraw/zinc/38/68/72/281386872.db2.gz GTCGKSFGOZGGQL-ZDUSSCGKSA-N 2 1 294.395 2.339 20 0 CEADMP C[NH2+]CCC[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000435870380 281399473 /nfs/dbraw/zinc/39/94/73/281399473.db2.gz FMYPQZFBFJAMTJ-UHFFFAOYSA-N 2 1 290.407 2.199 20 0 CEADMP C[NH2+]CCC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435872510 281399580 /nfs/dbraw/zinc/39/95/80/281399580.db2.gz PCJVBANBVWNCQI-OAHLLOKOSA-N 3 1 293.480 2.302 20 0 CEADMP C[NH2+]CCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435872510 281399581 /nfs/dbraw/zinc/39/95/81/281399581.db2.gz PCJVBANBVWNCQI-OAHLLOKOSA-N 3 1 293.480 2.302 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000347518533 282026259 /nfs/dbraw/zinc/02/62/59/282026259.db2.gz IIFGKKFJKNTOFQ-RRFJBIMHSA-N 2 1 297.487 2.390 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000156611160 289199319 /nfs/dbraw/zinc/19/93/19/289199319.db2.gz BCVOAAICPJFHDA-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000156611160 289199322 /nfs/dbraw/zinc/19/93/22/289199322.db2.gz BCVOAAICPJFHDA-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000156611160 289199323 /nfs/dbraw/zinc/19/93/23/289199323.db2.gz BCVOAAICPJFHDA-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000125534667 289209224 /nfs/dbraw/zinc/20/92/24/289209224.db2.gz VBXXSLHNCSCRCA-CYBMUJFWSA-N 2 1 256.434 2.103 20 0 CEADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)C1CC1 ZINC000337363745 289288305 /nfs/dbraw/zinc/28/83/05/289288305.db2.gz LVHCJYLPSZQFHP-LSDHHAIUSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414919035 289727320 /nfs/dbraw/zinc/72/73/20/289727320.db2.gz VUHDPMJRCAFBBM-PMPSAXMXSA-N 3 1 267.461 2.277 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000333177254 289727793 /nfs/dbraw/zinc/72/77/93/289727793.db2.gz RDNGYKCYCBOYOA-APIJFGDWSA-N 3 1 253.434 2.157 20 0 CEADMP CN(Cc1cnc(C2CC2)nc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000459300365 290109448 /nfs/dbraw/zinc/10/94/48/290109448.db2.gz JWQDQEOYCYDPCB-CYBMUJFWSA-N 2 1 274.412 2.128 20 0 CEADMP C[C@@H](CNC1CC[NH+](C2CC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000459367325 290128016 /nfs/dbraw/zinc/12/80/16/290128016.db2.gz DMNLEINIFSZKNV-GJZGRUSLSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H](CNC1CC[NH+](C2CC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000459380794 290132487 /nfs/dbraw/zinc/13/24/87/290132487.db2.gz UIPXTGHPXJAVFV-HUUCEWRRSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](CNC1CC[NH+](C2CC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000459380791 290132743 /nfs/dbraw/zinc/13/27/43/290132743.db2.gz UIPXTGHPXJAVFV-GJZGRUSLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]([NH2+]CCc1cn[nH]c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459405816 290138858 /nfs/dbraw/zinc/13/88/58/290138858.db2.gz NRGOSGKDLJHYNY-UKRRQHHQSA-N 2 1 276.428 2.195 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](O)Cc1ccccc1 ZINC000459445338 290150815 /nfs/dbraw/zinc/15/08/15/290150815.db2.gz GVHGVPXHZNZGGP-KBXCAEBGSA-N 2 1 288.435 2.195 20 0 CEADMP C[N@@H+](CCCC[NH2+]C1CCN(C2CC2)CC1)C1CC1 ZINC000459582703 290185641 /nfs/dbraw/zinc/18/56/41/290185641.db2.gz FPZRRMSUYOLUBJ-UHFFFAOYSA-N 2 1 265.445 2.077 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459684141 290210701 /nfs/dbraw/zinc/21/07/01/290210701.db2.gz UAVHCQRJFAQUFG-CABCVRRESA-N 2 1 275.396 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459684141 290210703 /nfs/dbraw/zinc/21/07/03/290210703.db2.gz UAVHCQRJFAQUFG-CABCVRRESA-N 2 1 275.396 2.083 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOCC(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000353424212 290218763 /nfs/dbraw/zinc/21/87/63/290218763.db2.gz SHMFNOAEJCQRQD-SRVKXCTJSA-N 2 1 280.334 2.028 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459766742 290232288 /nfs/dbraw/zinc/23/22/88/290232288.db2.gz MGLVXIUZHYFTII-LSDHHAIUSA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459766742 290232289 /nfs/dbraw/zinc/23/22/89/290232289.db2.gz MGLVXIUZHYFTII-LSDHHAIUSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459787367 290240489 /nfs/dbraw/zinc/24/04/89/290240489.db2.gz BYPCOENWQOARSO-GFCCVEGCSA-N 2 1 281.400 2.101 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459787367 290240493 /nfs/dbraw/zinc/24/04/93/290240493.db2.gz BYPCOENWQOARSO-GFCCVEGCSA-N 2 1 281.400 2.101 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000530216578 298053405 /nfs/dbraw/zinc/05/34/05/298053405.db2.gz BRRIQPPRSPCUDD-DUVNUKRYSA-N 2 1 280.387 2.052 20 0 CEADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cn1 ZINC000530407291 298068837 /nfs/dbraw/zinc/06/88/37/298068837.db2.gz MULLCKPJSYZYEA-HNNXBMFYSA-N 2 1 276.359 2.484 20 0 CEADMP COc1ccccc1OCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000532460396 298144811 /nfs/dbraw/zinc/14/48/11/298144811.db2.gz PPKQBJMOBSMQFK-RRFJBIMHSA-N 2 1 292.423 2.392 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCn2ccnc2)CC1 ZINC000537248748 298208045 /nfs/dbraw/zinc/20/80/45/298208045.db2.gz UPOHDGAJBPKYDV-UHFFFAOYSA-N 2 1 278.444 2.325 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)C1 ZINC000542475834 298289847 /nfs/dbraw/zinc/28/98/47/298289847.db2.gz LGAUXRZOPGWPID-DZGCQCFKSA-N 2 1 287.407 2.391 20 0 CEADMP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000357079500 303133485 /nfs/dbraw/zinc/13/34/85/303133485.db2.gz METKPKGKCUYIQQ-DVOMOZLQSA-N 2 1 260.356 2.354 20 0 CEADMP Cc1cccc2ncc(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)n21 ZINC000515918818 313078556 /nfs/dbraw/zinc/07/85/56/313078556.db2.gz WXSUMRFJSXHWFN-OAHLLOKOSA-N 2 1 286.423 2.463 20 0 CEADMP Cc1cccc2ncc(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)n21 ZINC000515918818 313078558 /nfs/dbraw/zinc/07/85/58/313078558.db2.gz WXSUMRFJSXHWFN-OAHLLOKOSA-N 2 1 286.423 2.463 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC000516272757 313085954 /nfs/dbraw/zinc/08/59/54/313085954.db2.gz GBTBOHRCTRWBCZ-IMJJTQAJSA-N 2 1 287.407 2.042 20 0 CEADMP C[N@H+]1CCC[C@@H](CNCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000521609887 313129749 /nfs/dbraw/zinc/12/97/49/313129749.db2.gz HGNNQNBOCSPBTJ-LBPRGKRZSA-N 2 1 298.333 2.440 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000521609887 313129752 /nfs/dbraw/zinc/12/97/52/313129752.db2.gz HGNNQNBOCSPBTJ-LBPRGKRZSA-N 2 1 298.333 2.440 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@H](c3nccn3C)C2)ccn1 ZINC000527537685 313181744 /nfs/dbraw/zinc/18/17/44/313181744.db2.gz FAJMIRCQWVLZCI-AWEZNQCLSA-N 2 1 256.353 2.113 20 0 CEADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000528010440 313224410 /nfs/dbraw/zinc/22/44/10/313224410.db2.gz YJOZHSVDVIKXBV-CABCVRRESA-N 2 1 252.402 2.159 20 0 CEADMP COc1cccc([C@@H]2C[N@@H+](CCOCC[NH3+])CC2(C)C)c1 ZINC000530231293 313286747 /nfs/dbraw/zinc/28/67/47/313286747.db2.gz NVPVJDBOVSMIBF-INIZCTEOSA-N 2 1 292.423 2.096 20 0 CEADMP Fc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000535047426 313387159 /nfs/dbraw/zinc/38/71/59/313387159.db2.gz MLTYDTJWPKPKEY-UHFFFAOYSA-N 2 1 288.370 2.401 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc2c(c1)OCCO2 ZINC000569560356 314000139 /nfs/dbraw/zinc/00/01/39/314000139.db2.gz IYAFFZNHDNEKSN-CQSZACIVSA-N 2 1 290.407 2.279 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(OC)c1 ZINC000569604751 314003604 /nfs/dbraw/zinc/00/36/04/314003604.db2.gz AWTOTLNSNJABGQ-QGZVFWFLSA-N 2 1 290.407 2.279 20 0 CEADMP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(OC)c1 ZINC000569604751 314003606 /nfs/dbraw/zinc/00/36/06/314003606.db2.gz AWTOTLNSNJABGQ-QGZVFWFLSA-N 2 1 290.407 2.279 20 0 CEADMP C[NH+](C)CCCCC(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000569660068 314005586 /nfs/dbraw/zinc/00/55/86/314005586.db2.gz IJLCWTLTYJGOMZ-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP CCC[C@]1(C)CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000570737678 314055904 /nfs/dbraw/zinc/05/59/04/314055904.db2.gz XCMMSKQKLFWRFJ-HUUCEWRRSA-N 2 1 256.434 2.201 20 0 CEADMP CCC[C@]1(C)CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000570737678 314055906 /nfs/dbraw/zinc/05/59/06/314055906.db2.gz XCMMSKQKLFWRFJ-HUUCEWRRSA-N 2 1 256.434 2.201 20 0 CEADMP CCC[C@]1(C)CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000570737678 314055907 /nfs/dbraw/zinc/05/59/07/314055907.db2.gz XCMMSKQKLFWRFJ-HUUCEWRRSA-N 2 1 256.434 2.201 20 0 CEADMP c1c[nH+]c(N2CC[NH+](CC34CCC(CC3)C4)CC2)[nH]1 ZINC000571058196 314070716 /nfs/dbraw/zinc/07/07/16/314070716.db2.gz NSPSTFXNTKAVGM-UHFFFAOYSA-N 2 1 260.385 2.112 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CCCc1cccc(Cl)c1)C1CC1 ZINC000571315274 314084887 /nfs/dbraw/zinc/08/48/87/314084887.db2.gz DXWYRUCOXMTBBN-MRXNPFEDSA-N 2 1 296.842 2.317 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CCCc1cccc(Cl)c1)C1CC1 ZINC000571315274 314084889 /nfs/dbraw/zinc/08/48/89/314084889.db2.gz DXWYRUCOXMTBBN-MRXNPFEDSA-N 2 1 296.842 2.317 20 0 CEADMP CC1CCC(C)(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000571874419 314109122 /nfs/dbraw/zinc/10/91/22/314109122.db2.gz IYYAPBQCCPMZSR-SIWZUTFBSA-N 2 1 268.445 2.248 20 0 CEADMP CC1CCC(C)(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000571874419 314109126 /nfs/dbraw/zinc/10/91/26/314109126.db2.gz IYYAPBQCCPMZSR-SIWZUTFBSA-N 2 1 268.445 2.248 20 0 CEADMP CCCc1nc(C)c(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)o1 ZINC000572234350 314125449 /nfs/dbraw/zinc/12/54/49/314125449.db2.gz VECYSEXCKPRVTH-WCQYABFASA-N 2 1 265.401 2.413 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000573005263 314135893 /nfs/dbraw/zinc/13/58/93/314135893.db2.gz JOYUAFULUDRLHA-MRXNPFEDSA-N 3 1 281.488 2.428 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000573383470 314155514 /nfs/dbraw/zinc/15/55/14/314155514.db2.gz YRIXERDYDUATHZ-CYBMUJFWSA-N 2 1 265.401 2.288 20 0 CEADMP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000573912473 314181688 /nfs/dbraw/zinc/18/16/88/314181688.db2.gz VOEOSKNNFKJKPN-KGLIPLIRSA-N 2 1 266.429 2.313 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000573931585 314184635 /nfs/dbraw/zinc/18/46/35/314184635.db2.gz YJINWZOCQUOWFS-RRFJBIMHSA-N 2 1 270.461 2.446 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000573931585 314184636 /nfs/dbraw/zinc/18/46/36/314184636.db2.gz YJINWZOCQUOWFS-RRFJBIMHSA-N 2 1 270.461 2.446 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000573931585 314184641 /nfs/dbraw/zinc/18/46/41/314184641.db2.gz YJINWZOCQUOWFS-RRFJBIMHSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000573931585 314184646 /nfs/dbraw/zinc/18/46/46/314184646.db2.gz YJINWZOCQUOWFS-RRFJBIMHSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000573931585 314184649 /nfs/dbraw/zinc/18/46/49/314184649.db2.gz YJINWZOCQUOWFS-RRFJBIMHSA-N 2 1 270.461 2.446 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000577059546 314336804 /nfs/dbraw/zinc/33/68/04/314336804.db2.gz WVAXERRUOWUCFD-OAGGEKHMSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000577059546 314336806 /nfs/dbraw/zinc/33/68/06/314336806.db2.gz WVAXERRUOWUCFD-OAGGEKHMSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H](CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000577865676 314422917 /nfs/dbraw/zinc/42/29/17/314422917.db2.gz JWSMQTGADZZIJO-KFWWJZLASA-N 3 1 253.434 2.110 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000580899807 322352890 /nfs/dbraw/zinc/35/28/90/322352890.db2.gz BTTGPGDRZBSFJA-YPMHNXCESA-N 2 1 293.386 2.274 20 0 CEADMP C[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CC(C)C1 ZINC000581080659 322368348 /nfs/dbraw/zinc/36/83/48/322368348.db2.gz TVECCUSXTISLTC-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP Cn1cc(C[NH2+]CC2([NH3+])CCC2)c(-c2cccs2)n1 ZINC000581357451 322389988 /nfs/dbraw/zinc/38/99/88/322389988.db2.gz RUNSEABDKIXASH-UHFFFAOYSA-N 2 1 276.409 2.120 20 0 CEADMP CCN(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000581456671 322397474 /nfs/dbraw/zinc/39/74/74/322397474.db2.gz PISYGDBBNDQSRW-HOCLYGCPSA-N 2 1 290.455 2.310 20 0 CEADMP CCN(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000581456671 322397476 /nfs/dbraw/zinc/39/74/76/322397476.db2.gz PISYGDBBNDQSRW-HOCLYGCPSA-N 2 1 290.455 2.310 20 0 CEADMP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000581456671 322397479 /nfs/dbraw/zinc/39/74/79/322397479.db2.gz PISYGDBBNDQSRW-HOCLYGCPSA-N 2 1 290.455 2.310 20 0 CEADMP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000581456671 322397482 /nfs/dbraw/zinc/39/74/82/322397482.db2.gz PISYGDBBNDQSRW-HOCLYGCPSA-N 2 1 290.455 2.310 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cncnc1C ZINC000583214933 322532584 /nfs/dbraw/zinc/53/25/84/322532584.db2.gz WBXTZTAOXVUQDE-RYUDHWBXSA-N 2 1 273.384 2.277 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)C1C[NH2+]C1 ZINC000583865807 322573021 /nfs/dbraw/zinc/57/30/21/322573021.db2.gz DFMWJAXLNRLGNY-GFCCVEGCSA-N 2 1 287.407 2.123 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](C)O)C2)s1 ZINC000584176104 327058733 /nfs/dbraw/zinc/05/87/33/327058733.db2.gz WIXWWGCYWDLNTO-OCCSQVGLSA-N 2 1 282.453 2.191 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](C)O)C2)s1 ZINC000584176104 327058735 /nfs/dbraw/zinc/05/87/35/327058735.db2.gz WIXWWGCYWDLNTO-OCCSQVGLSA-N 2 1 282.453 2.191 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](C)O)C2)s1 ZINC000584176104 327058737 /nfs/dbraw/zinc/05/87/37/327058737.db2.gz WIXWWGCYWDLNTO-OCCSQVGLSA-N 2 1 282.453 2.191 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN(Cc1ccc(F)cc1)CC1CC1 ZINC000584270363 327205313 /nfs/dbraw/zinc/20/53/13/327205313.db2.gz STPUPDFONMAYNN-QGZVFWFLSA-N 2 1 294.414 2.350 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000584270363 327205315 /nfs/dbraw/zinc/20/53/15/327205315.db2.gz STPUPDFONMAYNN-QGZVFWFLSA-N 2 1 294.414 2.350 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000584270363 327205317 /nfs/dbraw/zinc/20/53/17/327205317.db2.gz STPUPDFONMAYNN-QGZVFWFLSA-N 2 1 294.414 2.350 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(F)cc1)CC1CC1 ZINC000584270363 327205318 /nfs/dbraw/zinc/20/53/18/327205318.db2.gz STPUPDFONMAYNN-QGZVFWFLSA-N 2 1 294.414 2.350 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(F)cc1)CC1CC1 ZINC000584270363 327205320 /nfs/dbraw/zinc/20/53/20/327205320.db2.gz STPUPDFONMAYNN-QGZVFWFLSA-N 2 1 294.414 2.350 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000584270363 327205322 /nfs/dbraw/zinc/20/53/22/327205322.db2.gz STPUPDFONMAYNN-QGZVFWFLSA-N 2 1 294.414 2.350 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000584270363 327205323 /nfs/dbraw/zinc/20/53/23/327205323.db2.gz STPUPDFONMAYNN-QGZVFWFLSA-N 2 1 294.414 2.350 20 0 CEADMP CCO[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000050953644 520526188 /nfs/dbraw/zinc/52/61/88/520526188.db2.gz GKLUIQZTLLWETI-HNNXBMFYSA-N 2 1 254.418 2.267 20 0 CEADMP Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422969965 501013014 /nfs/dbraw/zinc/01/30/14/501013014.db2.gz VKNFRPDCOVATPT-OUJBWJOFSA-N 2 1 251.374 2.125 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000163874075 521646539 /nfs/dbraw/zinc/64/65/39/521646539.db2.gz AQZDVUBZAKAVGW-JKSUJKDBSA-N 3 1 269.477 2.428 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000163874075 521646543 /nfs/dbraw/zinc/64/65/43/521646543.db2.gz AQZDVUBZAKAVGW-JKSUJKDBSA-N 3 1 269.477 2.428 20 0 CEADMP CCC[NH+](CCC)CCCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000163874075 521646537 /nfs/dbraw/zinc/64/65/37/521646537.db2.gz AQZDVUBZAKAVGW-JKSUJKDBSA-N 2 1 269.477 2.428 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000067592592 519609254 /nfs/dbraw/zinc/60/92/54/519609254.db2.gz JVKHIOQESZLXLQ-GJZGRUSLSA-N 2 1 297.487 2.199 20 0 CEADMP CC(C)OCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157345125 519762701 /nfs/dbraw/zinc/76/27/01/519762701.db2.gz QNYLBWYMPJGRPL-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)CC)CC1 ZINC000052208846 520400772 /nfs/dbraw/zinc/40/07/72/520400772.db2.gz AGEXDJDZFHZAPG-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[C@@H]1C[NH2+]CCN1Cc1[nH+]cc(C)c(OC)c1C ZINC000068695749 520843789 /nfs/dbraw/zinc/84/37/89/520843789.db2.gz GOWJANMRGSSWHH-CQSZACIVSA-N 2 1 277.412 2.281 20 0 CEADMP CO[C@H](C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000188128185 523884243 /nfs/dbraw/zinc/88/42/43/523884243.db2.gz OCKRCKXDLCICBI-CQSZACIVSA-N 2 1 294.414 2.457 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000049553217 524477318 /nfs/dbraw/zinc/47/73/18/524477318.db2.gz CZAHHKFWSBGQEO-STQMWFEESA-N 2 1 278.396 2.449 20 0 CEADMP C=Cn1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000194214718 526282979 /nfs/dbraw/zinc/28/29/79/526282979.db2.gz LCUFSQBDCKEAGV-HUUCEWRRSA-N 2 1 276.428 2.441 20 0 CEADMP O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000366344212 527166494 /nfs/dbraw/zinc/16/64/94/527166494.db2.gz FEQGCKACWPMPQC-CABCVRRESA-N 2 1 293.455 2.042 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NC2CC2)cc1 ZINC000183146225 527379478 /nfs/dbraw/zinc/37/94/78/527379478.db2.gz DWJOHZFZIRWONE-LBPRGKRZSA-N 2 1 298.390 2.110 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000161726359 527391254 /nfs/dbraw/zinc/39/12/54/527391254.db2.gz UYSXLTVMCWZMRA-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000161726359 527391257 /nfs/dbraw/zinc/39/12/57/527391257.db2.gz UYSXLTVMCWZMRA-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2c(C)noc2C)C1 ZINC000166283481 527818967 /nfs/dbraw/zinc/81/89/67/527818967.db2.gz UZALTJOQHIBVAI-AWEZNQCLSA-N 2 1 265.401 2.108 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2c(C)noc2C)C1 ZINC000166283481 527818976 /nfs/dbraw/zinc/81/89/76/527818976.db2.gz UZALTJOQHIBVAI-AWEZNQCLSA-N 2 1 265.401 2.108 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2c(C)noc2C)C1 ZINC000166283481 527818979 /nfs/dbraw/zinc/81/89/79/527818979.db2.gz UZALTJOQHIBVAI-AWEZNQCLSA-N 2 1 265.401 2.108 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2c(C)noc2C)C1 ZINC000166283481 527818983 /nfs/dbraw/zinc/81/89/83/527818983.db2.gz UZALTJOQHIBVAI-AWEZNQCLSA-N 2 1 265.401 2.108 20 0 CEADMP CC(C)COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415040461 528154117 /nfs/dbraw/zinc/15/41/17/528154117.db2.gz OJJXWVKRVVUVPG-KRWDZBQOSA-N 2 1 292.423 2.190 20 0 CEADMP CCCNC(=O)CCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000411301317 528355309 /nfs/dbraw/zinc/35/53/09/528355309.db2.gz XSQGMAUQYBTUOR-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCCNC(=O)CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000411301317 528355313 /nfs/dbraw/zinc/35/53/13/528355313.db2.gz XSQGMAUQYBTUOR-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCCNC(=O)CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000411301317 528355315 /nfs/dbraw/zinc/35/53/15/528355315.db2.gz XSQGMAUQYBTUOR-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000173310282 529002645 /nfs/dbraw/zinc/00/26/45/529002645.db2.gz RXNFJXPVAPZTIY-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000414793410 529069007 /nfs/dbraw/zinc/06/90/07/529069007.db2.gz KNVTTZCYWVFCGL-OAHLLOKOSA-N 2 1 272.396 2.160 20 0 CEADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000412402195 529286765 /nfs/dbraw/zinc/28/67/65/529286765.db2.gz QAWGLEHANKWSBW-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[NH+](CC)CCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000412402195 529286769 /nfs/dbraw/zinc/28/67/69/529286769.db2.gz QAWGLEHANKWSBW-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[NH+](CC)CCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000412402195 529286771 /nfs/dbraw/zinc/28/67/71/529286771.db2.gz QAWGLEHANKWSBW-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H](C[N@H+](C)C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000727586503 574453278 /nfs/dbraw/zinc/45/32/78/574453278.db2.gz SHZFUPFOHOLKIR-DOTOQJQBSA-N 2 1 276.424 2.179 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000727586503 574453279 /nfs/dbraw/zinc/45/32/79/574453279.db2.gz SHZFUPFOHOLKIR-DOTOQJQBSA-N 2 1 276.424 2.179 20 0 CEADMP CCC/C=C\C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000729357780 574486063 /nfs/dbraw/zinc/48/60/63/574486063.db2.gz QCGPYMOYDFWCNK-CLOOOTJHSA-N 2 1 295.471 2.217 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH+]1CCCCCC1 ZINC000731869300 574605029 /nfs/dbraw/zinc/60/50/29/574605029.db2.gz PFTZKQWURGCKTC-UHFFFAOYSA-N 2 1 297.487 2.491 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000684378471 574658366 /nfs/dbraw/zinc/65/83/66/574658366.db2.gz WJPDCAMLAKSNOM-CVEARBPZSA-N 2 1 296.455 2.179 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000734058627 574699553 /nfs/dbraw/zinc/69/95/53/574699553.db2.gz VJGRCFKQGXHPBY-IRXDYDNUSA-N 2 1 278.440 2.265 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000735662976 574764369 /nfs/dbraw/zinc/76/43/69/574764369.db2.gz UASHCKDBEHFTEH-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C(C)C)CC1 ZINC000353502064 574798604 /nfs/dbraw/zinc/79/86/04/574798604.db2.gz KFZJPQAUARODOX-HUUCEWRRSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)CCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000741709318 574994961 /nfs/dbraw/zinc/99/49/61/574994961.db2.gz VSEWBGJLNITZKX-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(CN2CC3(CCCC3)CC2=O)C1 ZINC000747459866 575170649 /nfs/dbraw/zinc/17/06/49/575170649.db2.gz SOOKOGLBWZLXCT-HNNXBMFYSA-N 2 1 293.455 2.010 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000749446045 575220011 /nfs/dbraw/zinc/22/00/11/575220011.db2.gz KYSVLTGYDRMTSG-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP Clc1c[nH+]ccc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000750015386 575243791 /nfs/dbraw/zinc/24/37/91/575243791.db2.gz XZSPXBVRMLNHLU-ZDUSSCGKSA-N 2 1 295.814 2.212 20 0 CEADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948040298 614308809 /nfs/dbraw/zinc/30/88/09/614308809.db2.gz OOECVBRYRYZWOA-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000972485908 614548611 /nfs/dbraw/zinc/54/86/11/614548611.db2.gz PDBYIEDGDWJBDO-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000972485908 614548614 /nfs/dbraw/zinc/54/86/14/614548614.db2.gz PDBYIEDGDWJBDO-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972485908 614548615 /nfs/dbraw/zinc/54/86/15/614548615.db2.gz PDBYIEDGDWJBDO-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[NH+](CCC)CC2)C1 ZINC000981806092 614640238 /nfs/dbraw/zinc/64/02/38/614640238.db2.gz NHHRQTKZOJTJGR-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@H+](CCC)CC2)C1 ZINC000981806092 614640240 /nfs/dbraw/zinc/64/02/40/614640240.db2.gz NHHRQTKZOJTJGR-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@@H+](CCC)CC2)C1 ZINC000981806092 614640243 /nfs/dbraw/zinc/64/02/43/614640243.db2.gz NHHRQTKZOJTJGR-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP CCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000949045757 614995902 /nfs/dbraw/zinc/99/59/02/614995902.db2.gz FKYFROQIIMXNML-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000949045757 614995903 /nfs/dbraw/zinc/99/59/03/614995903.db2.gz FKYFROQIIMXNML-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000964436481 615076471 /nfs/dbraw/zinc/07/64/71/615076471.db2.gz IBTGMUXTHGSKBJ-GPANFISMSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1)[NH+](C)C ZINC000972353476 615376754 /nfs/dbraw/zinc/37/67/54/615376754.db2.gz GUHPYMZYMQVNHF-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC001024009905 625291012 /nfs/dbraw/zinc/29/10/12/625291012.db2.gz AIXXIQSZFKSIEY-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCc1nnc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000892509698 625739269 /nfs/dbraw/zinc/73/92/69/625739269.db2.gz AXOTUZLJHYMBTN-JTQLQIEISA-N 2 1 279.413 2.031 20 0 CEADMP C[NH+](C)C(C)(C)C[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000892430865 625393119 /nfs/dbraw/zinc/39/31/19/625393119.db2.gz LVADAJZWDLLKND-MWLCHTKSSA-N 2 1 263.223 2.090 20 0 CEADMP CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448163 625559611 /nfs/dbraw/zinc/55/96/11/625559611.db2.gz DROPIJRCVVPHIR-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001024448163 625559620 /nfs/dbraw/zinc/55/96/20/625559620.db2.gz DROPIJRCVVPHIR-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001024448163 625559623 /nfs/dbraw/zinc/55/96/23/625559623.db2.gz DROPIJRCVVPHIR-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000088163767 622771244 /nfs/dbraw/zinc/77/12/44/622771244.db2.gz BKIKEYFTWHRLRA-ALOPSCKCSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@@H]1CC[NH3+] ZINC000846226543 623363228 /nfs/dbraw/zinc/36/32/28/623363228.db2.gz OUPLXKOWSJLJQY-LSDHHAIUSA-N 3 1 255.450 2.345 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000308341190 623666512 /nfs/dbraw/zinc/66/65/12/623666512.db2.gz INXDUQNXTWOPJP-NWANDNLSSA-N 2 1 264.413 2.018 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C12CCC2 ZINC000308360508 623673899 /nfs/dbraw/zinc/67/38/99/623673899.db2.gz GGGCXYUKMFXFTO-RBSFLKMASA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1CCCO1 ZINC000093678112 623699015 /nfs/dbraw/zinc/69/90/15/623699015.db2.gz UEADKRFKJYSIDG-UYTSQGDYSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000891699025 623909330 /nfs/dbraw/zinc/90/93/30/623909330.db2.gz LARCLSMXVIYLIV-CYBMUJFWSA-N 2 1 294.361 2.372 20 0 CEADMP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000891843748 624015199 /nfs/dbraw/zinc/01/51/99/624015199.db2.gz AFFWLJLRVMGAMJ-UHFFFAOYSA-N 2 1 261.325 2.391 20 0 CEADMP C[N@H+](Cc1cccc2c1OCC2)CC1CC[NH+](C)CC1 ZINC000891933280 624114579 /nfs/dbraw/zinc/11/45/79/624114579.db2.gz DVTBPJJRPRUADH-UHFFFAOYSA-N 2 1 274.408 2.395 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCSC[C@@H]2C)CC1 ZINC000934299496 624397185 /nfs/dbraw/zinc/39/71/85/624397185.db2.gz VMNMGJRCCNWGPP-INIZCTEOSA-N 2 1 299.528 2.230 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(N3CCC([NH2+]C(C)C)CC3)c12 ZINC000892288221 624642125 /nfs/dbraw/zinc/64/21/25/624642125.db2.gz KQZRXTMWMKNGBK-UHFFFAOYSA-N 2 1 287.411 2.487 20 0 CEADMP CC(C)CCNC(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000849039561 624717220 /nfs/dbraw/zinc/71/72/20/624717220.db2.gz GCHMBSUZMZLWJM-UHFFFAOYSA-N 2 1 254.422 2.021 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)c1ccnn1C1CCC1)C[NH+](C)C ZINC000926468290 624831896 /nfs/dbraw/zinc/83/18/96/624831896.db2.gz AXAYJSMVUOUHEV-OLZOCXBDSA-N 2 1 264.417 2.456 20 0 CEADMP CC[N@H+]1CC[C@H](CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000250395272 625086001 /nfs/dbraw/zinc/08/60/01/625086001.db2.gz YLTKOVUNFGCOLQ-ARFHVFGLSA-N 2 1 267.461 2.229 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000250395272 625086010 /nfs/dbraw/zinc/08/60/10/625086010.db2.gz YLTKOVUNFGCOLQ-ARFHVFGLSA-N 3 1 267.461 2.229 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000250395272 625086018 /nfs/dbraw/zinc/08/60/18/625086018.db2.gz YLTKOVUNFGCOLQ-ARFHVFGLSA-N 3 1 267.461 2.229 20 0 CEADMP CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024814453 625831187 /nfs/dbraw/zinc/83/11/87/625831187.db2.gz SZQLENQATGVQKU-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001024814453 625831189 /nfs/dbraw/zinc/83/11/89/625831189.db2.gz SZQLENQATGVQKU-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001024814453 625831191 /nfs/dbraw/zinc/83/11/91/625831191.db2.gz SZQLENQATGVQKU-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP OCCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000820807261 634533889 /nfs/dbraw/zinc/53/38/89/634533889.db2.gz DSAKLQBHVHTTTP-ZOBUZTSGSA-N 2 1 280.456 2.392 20 0 CEADMP C[C@H]([NH2+]Cc1nnc2n1CCC2)c1cccc(C[NH+](C)C)c1 ZINC000820807080 634534611 /nfs/dbraw/zinc/53/46/11/634534611.db2.gz ZJUWTOIPVFYLLB-ZDUSSCGKSA-N 2 1 299.422 2.137 20 0 CEADMP C[C@H](O)C[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820810690 634536201 /nfs/dbraw/zinc/53/62/01/634536201.db2.gz BZYKRZJFILHLEV-BBQCCYIRSA-N 2 1 266.429 2.141 20 0 CEADMP C[N@H+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000820810532 634536223 /nfs/dbraw/zinc/53/62/23/634536223.db2.gz YPHSQEAUMNGGBU-ZBSSRIJBSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000820810532 634536226 /nfs/dbraw/zinc/53/62/26/634536226.db2.gz YPHSQEAUMNGGBU-ZBSSRIJBSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000820810532 634536230 /nfs/dbraw/zinc/53/62/30/634536230.db2.gz YPHSQEAUMNGGBU-ZBSSRIJBSA-N 2 1 277.456 2.076 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000820810532 634536235 /nfs/dbraw/zinc/53/62/35/634536235.db2.gz YPHSQEAUMNGGBU-ZBSSRIJBSA-N 3 1 277.456 2.076 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000820810532 634536238 /nfs/dbraw/zinc/53/62/38/634536238.db2.gz YPHSQEAUMNGGBU-ZBSSRIJBSA-N 3 1 277.456 2.076 20 0 CEADMP C[NH+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000820810532 634536244 /nfs/dbraw/zinc/53/62/44/634536244.db2.gz YPHSQEAUMNGGBU-ZBSSRIJBSA-N 3 1 277.456 2.076 20 0 CEADMP C[NH+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000820810532 634536247 /nfs/dbraw/zinc/53/62/47/634536247.db2.gz YPHSQEAUMNGGBU-ZBSSRIJBSA-N 3 1 277.456 2.076 20 0 CEADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)[C@@H]1CCCO1 ZINC000820829079 634543314 /nfs/dbraw/zinc/54/33/14/634543314.db2.gz FEQFKIVXNUCCOZ-VEDBGLOESA-N 2 1 296.455 2.175 20 0 CEADMP CC(=O)OC[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000892584401 627290668 /nfs/dbraw/zinc/29/06/68/627290668.db2.gz KAGSNEYQVBTHBL-UONOGXRCSA-N 2 1 270.417 2.040 20 0 CEADMP c1cn2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)sc2n1 ZINC000892624881 627321414 /nfs/dbraw/zinc/32/14/14/627321414.db2.gz YQDOISADODFCKF-UHFFFAOYSA-N 2 1 290.436 2.360 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902319140 634567979 /nfs/dbraw/zinc/56/79/79/634567979.db2.gz SEBBIUHHPKMDBH-HZPDHXFCSA-N 3 1 281.488 2.475 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902319140 634567980 /nfs/dbraw/zinc/56/79/80/634567980.db2.gz SEBBIUHHPKMDBH-HZPDHXFCSA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902319140 634567983 /nfs/dbraw/zinc/56/79/83/634567983.db2.gz SEBBIUHHPKMDBH-HZPDHXFCSA-N 2 1 281.488 2.475 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902345503 634584160 /nfs/dbraw/zinc/58/41/60/634584160.db2.gz DMZRDKZIRMTWIX-KBPBESRZSA-N 2 1 255.450 2.085 20 0 CEADMP C[C@@H](CN1CCCCC1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902336464 634597341 /nfs/dbraw/zinc/59/73/41/634597341.db2.gz LRFCLXPHBAJPFV-LSDHHAIUSA-N 2 1 267.461 2.229 20 0 CEADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC1([NH3+])CC1 ZINC000902407068 634622726 /nfs/dbraw/zinc/62/27/26/634622726.db2.gz OZAIWYLSWURMIS-AWEZNQCLSA-N 2 1 260.381 2.499 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C12CCCC2 ZINC000925517303 628062069 /nfs/dbraw/zinc/06/20/69/628062069.db2.gz KNUAWOCSZHSMHG-HZSPNIEDSA-N 2 1 266.429 2.454 20 0 CEADMP CN(C)c1cccnc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385611 634627771 /nfs/dbraw/zinc/62/77/71/634627771.db2.gz WNZCBYNEFHGVNI-ZDUSSCGKSA-N 2 1 276.428 2.015 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384514 634628230 /nfs/dbraw/zinc/62/82/30/634628230.db2.gz LRPWEPGZFSKOBX-LSDHHAIUSA-N 2 1 269.477 2.475 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000902397004 634635153 /nfs/dbraw/zinc/63/51/53/634635153.db2.gz LQZSENNPHIVQOH-IAGOWNOFSA-N 3 1 289.467 2.314 20 0 CEADMP CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925547375 628186961 /nfs/dbraw/zinc/18/69/61/628186961.db2.gz BXBWLLNXJVQTQR-XQQFMLRXSA-N 2 1 291.443 2.171 20 0 CEADMP CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925547368 628187048 /nfs/dbraw/zinc/18/70/48/628187048.db2.gz BXBWLLNXJVQTQR-AVGNSLFASA-N 2 1 291.443 2.171 20 0 CEADMP CCn1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925567195 628240330 /nfs/dbraw/zinc/24/03/30/628240330.db2.gz BGUMOAQQOBVNTE-HOTGVXAUSA-N 2 1 276.428 2.161 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000893310938 628289701 /nfs/dbraw/zinc/28/97/01/628289701.db2.gz UNEVNJCYEZNEND-CABCVRRESA-N 2 1 268.445 2.057 20 0 CEADMP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925634144 628330793 /nfs/dbraw/zinc/33/07/93/628330793.db2.gz HEAIOHSXSKRVRN-KBPBESRZSA-N 2 1 266.429 2.048 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cn2)C12CCC2 ZINC000925636493 628334947 /nfs/dbraw/zinc/33/49/47/628334947.db2.gz SSNWTLYMMMLGQN-VXGBXAGGSA-N 2 1 251.761 2.095 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)CC2 ZINC000925658172 628366822 /nfs/dbraw/zinc/36/68/22/628366822.db2.gz NTWBSIPNNAJHQN-AEGPPILISA-N 2 1 276.428 2.051 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000925676724 628466145 /nfs/dbraw/zinc/46/61/45/628466145.db2.gz KVRPMSMMZZZNQY-GFCCVEGCSA-N 2 1 287.329 2.373 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925684380 628489304 /nfs/dbraw/zinc/48/93/04/628489304.db2.gz ALDODEHPAXTTHJ-KFWWJZLASA-N 3 1 267.461 2.214 20 0 CEADMP CC(C)[NH2+]CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925690886 628506814 /nfs/dbraw/zinc/50/68/14/628506814.db2.gz HYPWHWBALYIUQN-HOTGVXAUSA-N 3 1 267.461 2.132 20 0 CEADMP C[C@H]([NH3+])[C@@H](NCCC1CC[NH2+]CC1)c1ccccc1 ZINC000925702661 628542782 /nfs/dbraw/zinc/54/27/82/628542782.db2.gz QMECUYCPRRBFQJ-XJKSGUPXSA-N 2 1 261.413 2.054 20 0 CEADMP C[C@H]([NH3+])[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1 ZINC000925702661 628542785 /nfs/dbraw/zinc/54/27/85/628542785.db2.gz QMECUYCPRRBFQJ-XJKSGUPXSA-N 3 1 261.413 2.054 20 0 CEADMP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)C12CCC2 ZINC000925704203 628547699 /nfs/dbraw/zinc/54/76/99/628547699.db2.gz CJTNJGLXEJMPDK-BMFZPTHFSA-N 2 1 277.456 2.253 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000925706050 628552640 /nfs/dbraw/zinc/55/26/40/628552640.db2.gz DVUTZYLNEYELRZ-IWCQGFGOSA-N 2 1 274.408 2.289 20 0 CEADMP COCC1(CC[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925707722 628554352 /nfs/dbraw/zinc/55/43/52/628554352.db2.gz QXSFCFWDJQUSQK-UKRRQHHQSA-N 2 1 262.397 2.481 20 0 CEADMP CCOC[C@@H]1CCCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000313214350 628583837 /nfs/dbraw/zinc/58/38/37/628583837.db2.gz OINGKVXOPFPPEW-LSDHHAIUSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902447828 634671502 /nfs/dbraw/zinc/67/15/02/634671502.db2.gz VWGJCBINZOMCRR-MLGOLLRUSA-N 2 1 290.407 2.324 20 0 CEADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902449439 634672507 /nfs/dbraw/zinc/67/25/07/634672507.db2.gz OJCNZOZVGVZEEX-HZPDHXFCSA-N 2 1 294.414 2.361 20 0 CEADMP c1cc2c(c(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c1)OCO2 ZINC000093452743 628660685 /nfs/dbraw/zinc/66/06/85/628660685.db2.gz ACMRQPURECRNDC-QLFBSQMISA-N 2 1 288.391 2.426 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902451001 634672965 /nfs/dbraw/zinc/67/29/65/634672965.db2.gz VNMFVUBXYYSLOZ-DJIMGWMZSA-N 2 1 287.451 2.095 20 0 CEADMP CC1(C)[C@@H](NCC[N@H+]2CCC(C)(C)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902456241 634678104 /nfs/dbraw/zinc/67/81/04/634678104.db2.gz NXOISHBDRDBIFF-ILXRZTDVSA-N 2 1 279.472 2.085 20 0 CEADMP C[N@H+](Cc1nc(-c2cccs2)no1)CC1CC[NH2+]CC1 ZINC000094024847 628745052 /nfs/dbraw/zinc/74/50/52/628745052.db2.gz SFWOJNZYZHJKMP-UHFFFAOYSA-N 2 1 292.408 2.230 20 0 CEADMP CCNc1ccccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000902469056 634685503 /nfs/dbraw/zinc/68/55/03/634685503.db2.gz OQCJMAIFKKFRRS-UHFFFAOYSA-N 2 1 259.397 2.470 20 0 CEADMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCCCn1cccn1 ZINC000931726286 628814016 /nfs/dbraw/zinc/81/40/16/628814016.db2.gz GKCPHQWCKVUWDF-JKSUJKDBSA-N 2 1 276.428 2.222 20 0 CEADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCCn1cccn1 ZINC000931726286 628814020 /nfs/dbraw/zinc/81/40/20/628814020.db2.gz GKCPHQWCKVUWDF-JKSUJKDBSA-N 2 1 276.428 2.222 20 0 CEADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCCn1cccn1 ZINC000931726286 628814025 /nfs/dbraw/zinc/81/40/25/628814025.db2.gz GKCPHQWCKVUWDF-JKSUJKDBSA-N 2 1 276.428 2.222 20 0 CEADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCCCn1cccn1 ZINC000931726286 628814029 /nfs/dbraw/zinc/81/40/29/628814029.db2.gz GKCPHQWCKVUWDF-JKSUJKDBSA-N 2 1 276.428 2.222 20 0 CEADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCCCn1cccn1 ZINC000931726286 628814032 /nfs/dbraw/zinc/81/40/32/628814032.db2.gz GKCPHQWCKVUWDF-JKSUJKDBSA-N 2 1 276.428 2.222 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C12CCCCC2 ZINC000925783366 628816758 /nfs/dbraw/zinc/81/67/58/628816758.db2.gz NKWJWUJFOQWGCM-TUVASFSCSA-N 2 1 266.429 2.312 20 0 CEADMP CC(C)C1CC([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000925791649 628837454 /nfs/dbraw/zinc/83/74/54/628837454.db2.gz MVWUYQJHUWUDGZ-YMAMQOFZSA-N 2 1 266.429 2.169 20 0 CEADMP C[C@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1c[nH+]ccc1N ZINC000925822309 628888511 /nfs/dbraw/zinc/88/85/11/628888511.db2.gz LOBBKTYVAKRXGQ-MEDUHNTESA-N 2 1 289.354 2.192 20 0 CEADMP COC[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)C(C)C ZINC000925873412 628972595 /nfs/dbraw/zinc/97/25/95/628972595.db2.gz JKFLZOSXQLOFIF-NWDGAFQWSA-N 2 1 251.374 2.063 20 0 CEADMP C[C@@H]([NH2+]CCc1cccc2c1OCCO2)[C@H]1CCCC[NH2+]1 ZINC000925874031 628973282 /nfs/dbraw/zinc/97/32/82/628973282.db2.gz GSCUJUHHVXAIOO-UKRRQHHQSA-N 2 1 290.407 2.121 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000236661375 628977753 /nfs/dbraw/zinc/97/77/53/628977753.db2.gz RSYYTVSUNLIQHK-HNNXBMFYSA-N 2 1 297.487 2.380 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cn3ccnc3s2)CC1 ZINC000893857444 629018730 /nfs/dbraw/zinc/01/87/30/629018730.db2.gz NWTBSXWXPQNBRD-UHFFFAOYSA-N 2 1 290.436 2.456 20 0 CEADMP CC[N@@H+](C[C@H](O)c1ccc(C)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261701339 629125504 /nfs/dbraw/zinc/12/55/04/629125504.db2.gz CMLYWZGHKVCVPN-DLBZAZTESA-N 2 1 276.424 2.350 20 0 CEADMP Cc1noc2ncc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)cc12 ZINC000894188389 629198443 /nfs/dbraw/zinc/19/84/43/629198443.db2.gz XAZHTJGKNCXLIV-KBPBESRZSA-N 2 1 286.379 2.248 20 0 CEADMP Cc1noc2ncc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc12 ZINC000894188389 629198444 /nfs/dbraw/zinc/19/84/44/629198444.db2.gz XAZHTJGKNCXLIV-KBPBESRZSA-N 2 1 286.379 2.248 20 0 CEADMP Cc1noc2ncc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc12 ZINC000894188389 629198450 /nfs/dbraw/zinc/19/84/50/629198450.db2.gz XAZHTJGKNCXLIV-KBPBESRZSA-N 2 1 286.379 2.248 20 0 CEADMP CC[N@H+](CC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000894213470 629231003 /nfs/dbraw/zinc/23/10/03/629231003.db2.gz CPKRAAWRKJVNQG-UHFFFAOYSA-N 2 1 299.459 2.173 20 0 CEADMP CC[N@@H+](CC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000894213470 629231009 /nfs/dbraw/zinc/23/10/09/629231009.db2.gz CPKRAAWRKJVNQG-UHFFFAOYSA-N 2 1 299.459 2.173 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2COC[C@@H]2C)c1 ZINC000924958780 629296937 /nfs/dbraw/zinc/29/69/37/629296937.db2.gz LUDJCHYHNAXPTN-XJKSGUPXSA-N 2 1 262.397 2.263 20 0 CEADMP Cc1noc(C)c1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000925022246 629368166 /nfs/dbraw/zinc/36/81/66/629368166.db2.gz FCMUCJQTCVSCCQ-SWLSCSKDSA-N 2 1 295.427 2.179 20 0 CEADMP c1ncc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[nH]1 ZINC000894383180 629415807 /nfs/dbraw/zinc/41/58/07/629415807.db2.gz BVLKFECEZGZSNM-UHFFFAOYSA-N 2 1 270.380 2.295 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000894455122 629472217 /nfs/dbraw/zinc/47/22/17/629472217.db2.gz FIADRXJWIATBMY-KBPBESRZSA-N 2 1 252.402 2.018 20 0 CEADMP CCOc1ccc(CNC[C@H]2CC[N@H+](C(C)C)C2)o1 ZINC000894458345 629472676 /nfs/dbraw/zinc/47/26/76/629472676.db2.gz QRFPQKKPXBPMGQ-CYBMUJFWSA-N 2 1 266.385 2.498 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cn3ccnc3s2)C1 ZINC000894496937 629490639 /nfs/dbraw/zinc/49/06/39/629490639.db2.gz ROEBBAHQAWCVPZ-OCCSQVGLSA-N 2 1 290.436 2.312 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cn3ccnc3s2)C1 ZINC000894496937 629490645 /nfs/dbraw/zinc/49/06/45/629490645.db2.gz ROEBBAHQAWCVPZ-OCCSQVGLSA-N 2 1 290.436 2.312 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cn3ccnc3s2)C1 ZINC000894496935 629491044 /nfs/dbraw/zinc/49/10/44/629491044.db2.gz ROEBBAHQAWCVPZ-GXTWGEPZSA-N 2 1 290.436 2.312 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cn3ccnc3s2)C1 ZINC000894496935 629491046 /nfs/dbraw/zinc/49/10/46/629491046.db2.gz ROEBBAHQAWCVPZ-GXTWGEPZSA-N 2 1 290.436 2.312 20 0 CEADMP CSC[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000894599610 629557013 /nfs/dbraw/zinc/55/70/13/629557013.db2.gz ZUVMWSQWVSWKAB-CQSZACIVSA-N 2 1 256.459 2.403 20 0 CEADMP Cc1noc2ncc(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)cc12 ZINC000894765393 629631464 /nfs/dbraw/zinc/63/14/64/629631464.db2.gz HJBNIUONVFJOHA-ZDUSSCGKSA-N 2 1 288.395 2.351 20 0 CEADMP Cc1noc2ncc(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)cc12 ZINC000894765393 629631467 /nfs/dbraw/zinc/63/14/67/629631467.db2.gz HJBNIUONVFJOHA-ZDUSSCGKSA-N 2 1 288.395 2.351 20 0 CEADMP CCc1nc(N2CCC(C)([NH+](C)C)CC2)cc(C)[nH+]1 ZINC000894848681 629685913 /nfs/dbraw/zinc/68/59/13/629685913.db2.gz LQUPVVDBDJGSHL-UHFFFAOYSA-N 2 1 262.401 2.268 20 0 CEADMP CO[C@](C)([C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000894903416 629744254 /nfs/dbraw/zinc/74/42/54/629744254.db2.gz KODUNUAJSGMZMU-JLKTZEBZSA-N 2 1 266.429 2.405 20 0 CEADMP CCc1cccc(NC(=O)CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000895038516 629808808 /nfs/dbraw/zinc/80/88/08/629808808.db2.gz RNRDIZXMCQTTMR-ZFWWWQNUSA-N 2 1 289.423 2.260 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cn(C)nc1C1CC1 ZINC000895135877 629945786 /nfs/dbraw/zinc/94/57/86/629945786.db2.gz AWNAHWBLCKPGJK-UHFFFAOYSA-N 2 1 278.444 2.365 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1C1CC1 ZINC000895135877 629945789 /nfs/dbraw/zinc/94/57/89/629945789.db2.gz AWNAHWBLCKPGJK-UHFFFAOYSA-N 2 1 278.444 2.365 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@](C)(O)c1ccccc1 ZINC000895147756 629962690 /nfs/dbraw/zinc/96/26/90/629962690.db2.gz NURYQGRXNBVEIL-FRKNIRMPSA-N 2 1 288.435 2.497 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@](C)(O)c1ccccc1 ZINC000895147754 629962843 /nfs/dbraw/zinc/96/28/43/629962843.db2.gz NURYQGRXNBVEIL-AVAUJXNBSA-N 2 1 288.435 2.497 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC1 ZINC000895208054 630034508 /nfs/dbraw/zinc/03/45/08/630034508.db2.gz ZXVAQXTWAMTZLL-UHFFFAOYSA-N 2 1 299.418 2.492 20 0 CEADMP CC[C@@H](COCC1CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000895314414 630102116 /nfs/dbraw/zinc/10/21/16/630102116.db2.gz VXUFJYOEWBPIRP-HNSVSWJLSA-N 2 1 266.429 2.406 20 0 CEADMP CC1(C)COC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895360098 630139117 /nfs/dbraw/zinc/13/91/17/630139117.db2.gz NBAATCUUGWZBPC-HUUCEWRRSA-N 2 1 266.429 2.123 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000895463622 630205264 /nfs/dbraw/zinc/20/52/64/630205264.db2.gz YNRCEIQMLIUSSR-GJLQCQLHSA-N 2 1 294.439 2.323 20 0 CEADMP CSC1(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000895558647 630249387 /nfs/dbraw/zinc/24/93/87/630249387.db2.gz YMBTZILAKLZFTR-ZDUSSCGKSA-N 2 1 277.437 2.488 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@H](C(F)(F)F)O1 ZINC000895939525 630412432 /nfs/dbraw/zinc/41/24/32/630412432.db2.gz ONJLOBBTFWHCFU-DGCLKSJQSA-N 2 1 294.361 2.370 20 0 CEADMP CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896022692 630440701 /nfs/dbraw/zinc/44/07/01/630440701.db2.gz ZEDRGUWAVDHBFQ-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902762237 634815594 /nfs/dbraw/zinc/81/55/94/634815594.db2.gz JDCDBLJTDFSVOC-QDMKHBRRSA-N 2 1 266.429 2.002 20 0 CEADMP C[C@@H]1CCC[C@@](C[NH2+]CC2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000054243457 630755187 /nfs/dbraw/zinc/75/51/87/630755187.db2.gz OIQXMFKUDIRAMG-NVXWUHKLSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@@H](CCO)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935461 630954711 /nfs/dbraw/zinc/95/47/11/630954711.db2.gz PDLBFJPVAYRSNI-DOTOQJQBSA-N 2 1 276.424 2.259 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@@H](O)c2ccc(F)cn2)C[C@H]1C ZINC000799306196 631005550 /nfs/dbraw/zinc/00/55/50/631005550.db2.gz UBNUPDMCXAAKPN-IVMMDQJWSA-N 2 1 295.402 2.059 20 0 CEADMP Cc1ccc(N2CCC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000904301393 635553811 /nfs/dbraw/zinc/55/38/11/635553811.db2.gz GEHAGKXTFXHWHP-IYBDPMFKSA-N 2 1 273.424 2.244 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000897271606 631032192 /nfs/dbraw/zinc/03/21/92/631032192.db2.gz PBLDNWCPUPITDG-QGZVFWFLSA-N 2 1 280.456 2.467 20 0 CEADMP C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@@H]1CCCOC1 ZINC000904317578 635564576 /nfs/dbraw/zinc/56/45/76/635564576.db2.gz HSSZLKSRTVRMBQ-KBPBESRZSA-N 2 1 256.434 2.498 20 0 CEADMP COc1ccc([C@@H](CO)[N@H+](C)C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904322216 635568155 /nfs/dbraw/zinc/56/81/55/635568155.db2.gz SKDSDXAYMZBARW-IAGOWNOFSA-N 2 1 292.423 2.050 20 0 CEADMP COc1ccc([C@@H](CO)[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904322216 635568158 /nfs/dbraw/zinc/56/81/58/635568158.db2.gz SKDSDXAYMZBARW-IAGOWNOFSA-N 2 1 292.423 2.050 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@H](c3ccccn3)C2)CCC[NH2+]C1 ZINC000904336170 635577661 /nfs/dbraw/zinc/57/76/61/635577661.db2.gz DUKZMEZUBUTRBF-HOCLYGCPSA-N 2 1 259.397 2.261 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000925204018 631172867 /nfs/dbraw/zinc/17/28/67/631172867.db2.gz JFTSNADAMTYVSI-DLBZAZTESA-N 2 1 292.471 2.453 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000925204018 631172869 /nfs/dbraw/zinc/17/28/69/631172869.db2.gz JFTSNADAMTYVSI-DLBZAZTESA-N 2 1 292.471 2.453 20 0 CEADMP CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC000985803903 631183914 /nfs/dbraw/zinc/18/39/14/631183914.db2.gz MBGNLFDRJNIPDY-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000985803903 631183915 /nfs/dbraw/zinc/18/39/15/631183915.db2.gz MBGNLFDRJNIPDY-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000985803903 631183916 /nfs/dbraw/zinc/18/39/16/631183916.db2.gz MBGNLFDRJNIPDY-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1ncc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)n1-c1ccccc1 ZINC000904421068 635633317 /nfs/dbraw/zinc/63/33/17/635633317.db2.gz NLUTWJZALKYUNQ-JKSUJKDBSA-N 2 1 296.418 2.222 20 0 CEADMP Cc1ncc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)n1-c1ccccc1 ZINC000904421068 635633320 /nfs/dbraw/zinc/63/33/20/635633320.db2.gz NLUTWJZALKYUNQ-JKSUJKDBSA-N 2 1 296.418 2.222 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)OCC[NH+]1CCCCC1 ZINC000803858269 631619104 /nfs/dbraw/zinc/61/91/04/631619104.db2.gz DSDMRCDOQUQBPL-OAHLLOKOSA-N 2 1 282.428 2.280 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2(C)CCC3(CC2)OCCO3)CC[N@H+]1C ZINC000897716133 631888852 /nfs/dbraw/zinc/88/88/52/631888852.db2.gz XGZOGVPYTITHML-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897969260 631995458 /nfs/dbraw/zinc/99/54/58/631995458.db2.gz HUUQPMXVLAMUSE-KBMXLJTQSA-N 2 1 259.397 2.229 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@]23C[C@H]2COC32CCC2)CC[N@H+]1C ZINC000898061295 632038705 /nfs/dbraw/zinc/03/87/05/632038705.db2.gz BWMBJFOGAKIZID-ZQDZILKHSA-N 2 1 264.413 2.018 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc([C@H](C)O)s2)C1 ZINC000809611848 632110680 /nfs/dbraw/zinc/11/06/80/632110680.db2.gz RCJVMSZLQJPREE-NWDGAFQWSA-N 2 1 283.441 2.018 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnc([C@H](C)O)s2)C1 ZINC000809611848 632110683 /nfs/dbraw/zinc/11/06/83/632110683.db2.gz RCJVMSZLQJPREE-NWDGAFQWSA-N 2 1 283.441 2.018 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)o1 ZINC000809989458 632164977 /nfs/dbraw/zinc/16/49/77/632164977.db2.gz ABQDZAIZTIPNGF-CYBMUJFWSA-N 2 1 274.368 2.405 20 0 CEADMP O[C@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000866638356 632331706 /nfs/dbraw/zinc/33/17/06/632331706.db2.gz GFQDLFGONBBESO-MRXNPFEDSA-N 2 1 266.429 2.144 20 0 CEADMP CCO[C@@H](C[NH2+][C@H](C1CC1)C(C)(C)C)C[NH+](C)C ZINC000926963201 632391881 /nfs/dbraw/zinc/39/18/81/632391881.db2.gz SYCZWUDMICELMS-UONOGXRCSA-N 2 1 256.434 2.367 20 0 CEADMP COCC[N@@H+](C)CCCN[C@H](C)c1cc(O)cc(F)c1 ZINC000924652769 632395139 /nfs/dbraw/zinc/39/51/39/632395139.db2.gz CEVGNOHRHMZVQO-GFCCVEGCSA-N 2 1 284.375 2.150 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000898985742 632670857 /nfs/dbraw/zinc/67/08/57/632670857.db2.gz AQVMKWABXSTHED-CYBMUJFWSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000898985742 632670860 /nfs/dbraw/zinc/67/08/60/632670860.db2.gz AQVMKWABXSTHED-CYBMUJFWSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000898985742 632670863 /nfs/dbraw/zinc/67/08/63/632670863.db2.gz AQVMKWABXSTHED-CYBMUJFWSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@H](C[NH2+]Cc1cnc(-c2ccncc2)s1)C[NH+](C)C ZINC000813784646 632734654 /nfs/dbraw/zinc/73/46/54/632734654.db2.gz MWBYKKUVQPEBPP-GFCCVEGCSA-N 2 1 290.436 2.492 20 0 CEADMP C[C@H](NC(=[NH2+])NC[C@H]1[N@@H+](C)CCCC1(C)C)C1CC1 ZINC000899271865 632768613 /nfs/dbraw/zinc/76/86/13/632768613.db2.gz QVMXSCZYIRONSA-WCQYABFASA-N 2 1 266.433 2.019 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814642865 632873257 /nfs/dbraw/zinc/87/32/57/632873257.db2.gz UGVBEJSGEUWNCC-QZTJIDSGSA-N 2 1 288.435 2.323 20 0 CEADMP C[NH2+][C@@H](CNc1cc(C)[nH+]c(C)n1)Cc1ccccc1 ZINC000900020404 633184692 /nfs/dbraw/zinc/18/46/92/633184692.db2.gz NIWYJOCSZVZFEY-OAHLLOKOSA-N 2 1 270.380 2.336 20 0 CEADMP C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000816648196 633456632 /nfs/dbraw/zinc/45/66/32/633456632.db2.gz GKRJYOZGQQYWKD-UONOGXRCSA-N 2 1 262.397 2.467 20 0 CEADMP C[C@@H]([NH2+]CCSC(F)(F)F)c1c[nH+]ccc1N ZINC000817889575 633752703 /nfs/dbraw/zinc/75/27/03/633752703.db2.gz PPHRXJQHVMPASO-SSDOTTSWSA-N 2 1 265.304 2.398 20 0 CEADMP CC(C)(C)c1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000817894896 633756912 /nfs/dbraw/zinc/75/69/12/633756912.db2.gz SEWPGHWKBSOASL-BZUAXINKSA-N 2 1 276.424 2.487 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)c1ccsc1 ZINC000817894096 633757225 /nfs/dbraw/zinc/75/72/25/633757225.db2.gz AGJPEGQADIBNFC-FRRDWIJNSA-N 2 1 254.399 2.031 20 0 CEADMP Cc1ccc(OC[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000817897603 633758012 /nfs/dbraw/zinc/75/80/12/633758012.db2.gz SVKGISAQIOMLQI-FMKPAKJESA-N 2 1 262.397 2.492 20 0 CEADMP Cc1noc(C)c1CCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000817899859 633759991 /nfs/dbraw/zinc/75/99/91/633759991.db2.gz QOSYIKPFEMZQSE-DOMZBBRYSA-N 2 1 265.401 2.344 20 0 CEADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000817906063 633765994 /nfs/dbraw/zinc/76/59/94/633765994.db2.gz XJCOYRIWVVNCCK-CLWVCHIJSA-N 2 1 262.397 2.229 20 0 CEADMP COc1cccc([C@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000817906223 633766418 /nfs/dbraw/zinc/76/64/18/633766418.db2.gz YPDOILVUSZXQIP-RCCFBDPRSA-N 2 1 298.386 2.463 20 0 CEADMP CCc1ccc([C@@H](O)C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)cc1 ZINC000817928925 633783930 /nfs/dbraw/zinc/78/39/30/633783930.db2.gz IIADACAJELMPQL-ULQDDVLXSA-N 2 1 276.424 2.403 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000817960087 633802624 /nfs/dbraw/zinc/80/26/24/633802624.db2.gz WXOLKHGXLUBXMI-WFASDCNBSA-N 2 1 291.395 2.277 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(Br)nc1 ZINC000817970376 633813041 /nfs/dbraw/zinc/81/30/41/633813041.db2.gz SUZMRHSRGXTSAT-JFGNBEQYSA-N 2 1 298.228 2.493 20 0 CEADMP COC[C@@]1(C[NH2+][C@@H](C)CSC(C)(C)C)CCC[NH2+]1 ZINC000817974726 633818291 /nfs/dbraw/zinc/81/82/91/633818291.db2.gz OEAPFFISSOJVSK-JSGCOSHPSA-N 2 1 274.474 2.265 20 0 CEADMP Cc1nn(C)c(Cl)c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000818431830 633921194 /nfs/dbraw/zinc/92/11/94/633921194.db2.gz UTYUCKRYSLQBHS-LLVKDONJSA-N 2 1 296.846 2.346 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(C)cc2)C1 ZINC000818981769 634027825 /nfs/dbraw/zinc/02/78/25/634027825.db2.gz YONQORUFRWFPGR-NVXWUHKLSA-N 2 1 276.424 2.350 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000819250083 634117706 /nfs/dbraw/zinc/11/77/06/634117706.db2.gz ULHKVQICUWMGEH-OIISXLGYSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000819250083 634117708 /nfs/dbraw/zinc/11/77/08/634117708.db2.gz ULHKVQICUWMGEH-OIISXLGYSA-N 2 1 276.424 2.258 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1(C)C ZINC000902981275 634918182 /nfs/dbraw/zinc/91/81/82/634918182.db2.gz KRRKSBIJGQVJTF-HUUCEWRRSA-N 2 1 279.472 2.181 20 0 CEADMP CS[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000822456151 634922290 /nfs/dbraw/zinc/92/22/90/634922290.db2.gz PJSYXBRSWWLTDZ-RBSFLKMASA-N 2 1 284.469 2.113 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000903018026 634926952 /nfs/dbraw/zinc/92/69/52/634926952.db2.gz VUGRGJWHLOFRDS-UTQGOSHXSA-N 2 1 278.440 2.121 20 0 CEADMP CC[N@@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)C(C)C ZINC000903089496 634964241 /nfs/dbraw/zinc/96/42/41/634964241.db2.gz QODSUZLDVHXANP-ZXFUBFMLSA-N 2 1 279.472 2.464 20 0 CEADMP CC[NH+](CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(C)C ZINC000903089496 634964244 /nfs/dbraw/zinc/96/42/44/634964244.db2.gz QODSUZLDVHXANP-ZXFUBFMLSA-N 2 1 279.472 2.464 20 0 CEADMP CC[NH+](CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)C ZINC000903089496 634964246 /nfs/dbraw/zinc/96/42/46/634964246.db2.gz QODSUZLDVHXANP-ZXFUBFMLSA-N 2 1 279.472 2.464 20 0 CEADMP CC[C@H](C)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903097196 634977728 /nfs/dbraw/zinc/97/77/28/634977728.db2.gz QKNRNIJFWLUDNT-GJIXHBHRSA-N 2 1 266.429 2.141 20 0 CEADMP Cc1cncc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)n1 ZINC000903199382 635009393 /nfs/dbraw/zinc/00/93/93/635009393.db2.gz BUDRDBHYUFZJLC-ZXFUBFMLSA-N 2 1 286.423 2.075 20 0 CEADMP C[N@H+]1CC[C@H](NCC[NH+]2CCC(C)(C)C2)[C@@H]2CCC[C@@H]21 ZINC000903345665 635073337 /nfs/dbraw/zinc/07/33/37/635073337.db2.gz YOBYXUVCBALRSR-JYJNAYRXSA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@H](NCC[N@@H+]2CCC(C)(C)C2)[C@@H]2CCC[C@@H]21 ZINC000903345665 635073340 /nfs/dbraw/zinc/07/33/40/635073340.db2.gz YOBYXUVCBALRSR-JYJNAYRXSA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@H](NCC[N@H+]2CCC(C)(C)C2)[C@@H]2CCC[C@@H]21 ZINC000903345665 635073343 /nfs/dbraw/zinc/07/33/43/635073343.db2.gz YOBYXUVCBALRSR-JYJNAYRXSA-N 2 1 279.472 2.181 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCN2CCC(C)(C)C2)[C@@H]2CCC[C@@H]21 ZINC000903345665 635073349 /nfs/dbraw/zinc/07/33/49/635073349.db2.gz YOBYXUVCBALRSR-JYJNAYRXSA-N 2 1 279.472 2.181 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCC(C)(C)C2)[C@@H]2CCC[C@@H]21 ZINC000903345665 635073353 /nfs/dbraw/zinc/07/33/53/635073353.db2.gz YOBYXUVCBALRSR-JYJNAYRXSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCc1ccccc1F ZINC000903432660 635114629 /nfs/dbraw/zinc/11/46/29/635114629.db2.gz JOAXPUPRHMSYNW-OCCSQVGLSA-N 2 1 250.361 2.156 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000903460383 635125965 /nfs/dbraw/zinc/12/59/65/635125965.db2.gz ABTQPALYSWRXJC-CWVYHPPDSA-N 2 1 266.429 2.393 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000903463433 635127177 /nfs/dbraw/zinc/12/71/77/635127177.db2.gz AYPDEGDTSWCKFH-UGUYLWEFSA-N 2 1 266.429 2.123 20 0 CEADMP Cc1ccccc1C[N@H+]1CCCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903442272 635128359 /nfs/dbraw/zinc/12/83/59/635128359.db2.gz NLVYDXJQCDZYIZ-GOSISDBHSA-N 2 1 287.451 2.255 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(CC3CCCCC3)CC2)C1 ZINC000903442710 635129141 /nfs/dbraw/zinc/12/91/41/635129141.db2.gz ZLPZWORGGGOXLL-DLBZAZTESA-N 2 1 279.472 2.312 20 0 CEADMP c1cc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2[nH]1 ZINC000903452638 635136048 /nfs/dbraw/zinc/13/60/48/635136048.db2.gz OUKVEYHPNKWJKF-GJZGRUSLSA-N 2 1 255.365 2.352 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(C)nn1 ZINC000903453530 635137121 /nfs/dbraw/zinc/13/71/21/635137121.db2.gz AMQXNQGRTYLONS-GOEBONIOSA-N 2 1 274.412 2.057 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(C)nn1 ZINC000903453530 635137122 /nfs/dbraw/zinc/13/71/22/635137122.db2.gz AMQXNQGRTYLONS-GOEBONIOSA-N 2 1 274.412 2.057 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)nn1 ZINC000903453508 635137137 /nfs/dbraw/zinc/13/71/37/635137137.db2.gz AGCOJLUUACRRDX-JKSUJKDBSA-N 2 1 288.439 2.305 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)nn1 ZINC000903453506 635137164 /nfs/dbraw/zinc/13/71/64/635137164.db2.gz AGCOJLUUACRRDX-HOTGVXAUSA-N 2 1 288.439 2.305 20 0 CEADMP CN(C)c1cccc(C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903456668 635139210 /nfs/dbraw/zinc/13/92/10/635139210.db2.gz IPSWELKFMWBGNG-CABCVRRESA-N 2 1 261.413 2.312 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)C1CCC1 ZINC000903481758 635150229 /nfs/dbraw/zinc/15/02/29/635150229.db2.gz LZNAHNAXPRXHGF-KGLIPLIRSA-N 2 1 252.402 2.066 20 0 CEADMP CO[C@@H](C)c1nc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cs1 ZINC000903499251 635154012 /nfs/dbraw/zinc/15/40/12/635154012.db2.gz LGYIMFBIRKWZCY-GRYCIOLGSA-N 2 1 283.441 2.267 20 0 CEADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)n1 ZINC000903499386 635154388 /nfs/dbraw/zinc/15/43/88/635154388.db2.gz SIXVKZIOOIAFEH-IUODEOHRSA-N 2 1 261.413 2.424 20 0 CEADMP Cc1nc([C@@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)no1 ZINC000903490704 635156125 /nfs/dbraw/zinc/15/61/25/635156125.db2.gz FCTNLCHGQZQPDM-OAHLLOKOSA-N 2 1 298.390 2.013 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000903491116 635156136 /nfs/dbraw/zinc/15/61/36/635156136.db2.gz VYRXYKMYBMXEBM-AXFHLTTASA-N 2 1 280.309 2.480 20 0 CEADMP FC1(F)C[C@]2(CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)C1(F)F ZINC000903491011 635156146 /nfs/dbraw/zinc/15/61/46/635156146.db2.gz QWRAZQQGDXVZHO-MNOVXSKESA-N 2 1 280.309 2.352 20 0 CEADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCCC(C)(C)C)C2 ZINC000903493198 635157232 /nfs/dbraw/zinc/15/72/32/635157232.db2.gz OWRWDNBMYWQWFH-ZENOOKHLSA-N 2 1 282.428 2.025 20 0 CEADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCC(C)(C)C1CC1)C2 ZINC000903494752 635157264 /nfs/dbraw/zinc/15/72/64/635157264.db2.gz NGBRFWSODJHZQD-VBQJREDUSA-N 2 1 294.439 2.025 20 0 CEADMP CCC(C)(C)CC[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493462 635158075 /nfs/dbraw/zinc/15/80/75/635158075.db2.gz SEQKGCFWQIQFPP-ZENOOKHLSA-N 2 1 282.428 2.025 20 0 CEADMP CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](CCCCCCC[NH3+])C[C@@H]21 ZINC000903564206 635164767 /nfs/dbraw/zinc/16/47/67/635164767.db2.gz QIHNXINMVMIZBY-QLFBSQMISA-N 2 1 282.428 2.027 20 0 CEADMP c1csc(C[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000903708488 635229391 /nfs/dbraw/zinc/22/93/91/635229391.db2.gz XBAHNTCPFMAALB-CYBMUJFWSA-N 2 1 265.426 2.007 20 0 CEADMP CC[C@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717279 635232563 /nfs/dbraw/zinc/23/25/63/635232563.db2.gz MFYBNDYKYVCMFG-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717527 635232669 /nfs/dbraw/zinc/23/26/69/635232669.db2.gz QXFJYILXKNLJCL-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718282 635233553 /nfs/dbraw/zinc/23/35/53/635233553.db2.gz JYHRJVYNWATNJL-MRXNPFEDSA-N 2 1 292.398 2.416 20 0 CEADMP CC(C)C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903721427 635235033 /nfs/dbraw/zinc/23/50/33/635235033.db2.gz AGENRFIEYJCQRE-HNNXBMFYSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722600 635235698 /nfs/dbraw/zinc/23/56/98/635235698.db2.gz NSWKKHRLMBNKSU-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@H](C1CC1)[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903722214 635236408 /nfs/dbraw/zinc/23/64/08/635236408.db2.gz IXAYFWGBYTUYCX-KCXAZCMYSA-N 2 1 264.413 2.018 20 0 CEADMP c1ccc([C@@H]2CC[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903725196 635238658 /nfs/dbraw/zinc/23/86/58/635238658.db2.gz XWOHGLVVNLNPLE-KURKYZTESA-N 2 1 286.419 2.245 20 0 CEADMP CC[N@@H+](CCC(F)(F)F)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903726956 635239525 /nfs/dbraw/zinc/23/95/25/635239525.db2.gz PNXVXZHDRUZDDB-NWDGAFQWSA-N 2 1 280.334 2.029 20 0 CEADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729677 635241157 /nfs/dbraw/zinc/24/11/57/635241157.db2.gz QKRUNBOKSBUOLC-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733436 635249326 /nfs/dbraw/zinc/24/93/26/635249326.db2.gz KGJOLOMVRBKUQX-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP c1ccc([C@@H]2CC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)nc1 ZINC000903751522 635249606 /nfs/dbraw/zinc/24/96/06/635249606.db2.gz GBKFQUAVGNGVEL-LSDHHAIUSA-N 2 1 259.397 2.261 20 0 CEADMP C[C@@H]([N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1(C)CC1 ZINC000903734232 635250143 /nfs/dbraw/zinc/25/01/43/635250143.db2.gz WHFILPJFLDRFRS-KGLIPLIRSA-N 2 1 266.429 2.266 20 0 CEADMP Fc1ccc(N2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000903733580 635250697 /nfs/dbraw/zinc/25/06/97/635250697.db2.gz NYCQVAHYGOBWBB-HNNXBMFYSA-N 2 1 291.414 2.337 20 0 CEADMP C([C@@H]1CCCC[NH2+]C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000903736496 635251820 /nfs/dbraw/zinc/25/18/20/635251820.db2.gz JTYKJSBSQDNCEU-MRXNPFEDSA-N 2 1 279.472 2.326 20 0 CEADMP CC(C)O[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903762819 635257335 /nfs/dbraw/zinc/25/73/35/635257335.db2.gz DUZYQWFNLQEEBS-CVEARBPZSA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903764941 635258445 /nfs/dbraw/zinc/25/84/45/635258445.db2.gz CHLDQDNZJGVCLT-XUWVNRHRSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903765925 635258479 /nfs/dbraw/zinc/25/84/79/635258479.db2.gz NACOWGHDKYLRDG-KLHDSHLOSA-N 2 1 266.429 2.266 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903758172 635261736 /nfs/dbraw/zinc/26/17/36/635261736.db2.gz JCRDSDYWIYNJFV-DOTOQJQBSA-N 2 1 296.455 2.287 20 0 CEADMP CCCOC(=O)[C@@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790893 635262376 /nfs/dbraw/zinc/26/23/76/635262376.db2.gz FYJXTUIAIUQFMY-GFCCVEGCSA-N 2 1 270.417 2.025 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCOc1ccc(F)c(Cl)c1)C2 ZINC000903780107 635266727 /nfs/dbraw/zinc/26/67/27/635266727.db2.gz DEJWXLDIPNXCCR-XHDPSFHLSA-N 2 1 298.789 2.399 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCOc1ccc(F)c(Cl)c1)C2 ZINC000903780107 635266734 /nfs/dbraw/zinc/26/67/34/635266734.db2.gz DEJWXLDIPNXCCR-XHDPSFHLSA-N 2 1 298.789 2.399 20 0 CEADMP COCC(COC)[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000903782550 635268353 /nfs/dbraw/zinc/26/83/53/635268353.db2.gz PGBORYSPKOTDRS-RHSMWYFYSA-N 2 1 298.471 2.267 20 0 CEADMP c1ccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903814126 635272587 /nfs/dbraw/zinc/27/25/87/635272587.db2.gz KMLQHDWCGBPKLD-UHFFFAOYSA-N 2 1 260.381 2.031 20 0 CEADMP Cc1ccccc1C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816214 635273922 /nfs/dbraw/zinc/27/39/22/635273922.db2.gz VKODWLKSOJZDBG-UHFFFAOYSA-N 2 1 274.408 2.340 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)ncn1 ZINC000903811522 635284169 /nfs/dbraw/zinc/28/41/69/635284169.db2.gz LYVQGHMPVWKPLI-OAHLLOKOSA-N 2 1 274.412 2.269 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)ncn1 ZINC000903811522 635284173 /nfs/dbraw/zinc/28/41/73/635284173.db2.gz LYVQGHMPVWKPLI-OAHLLOKOSA-N 2 1 274.412 2.269 20 0 CEADMP CCOCCOCC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812457 635286105 /nfs/dbraw/zinc/28/61/05/635286105.db2.gz TVRRLTZQRLQKHB-OAHLLOKOSA-N 2 1 284.444 2.023 20 0 CEADMP C(C1CCCC1)[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903813905 635287849 /nfs/dbraw/zinc/28/78/49/635287849.db2.gz CEVMERPVYRLJGU-UHFFFAOYSA-N 2 1 252.402 2.021 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CC[NH2+]CCC23CCOCC3)OC1 ZINC000903818811 635287990 /nfs/dbraw/zinc/28/79/90/635287990.db2.gz VTUMQIZVMAJDAT-OAHLLOKOSA-N 2 1 296.455 2.036 20 0 CEADMP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2C[NH2+]C[C@H]2C)nc1 ZINC000903832324 635296553 /nfs/dbraw/zinc/29/65/53/635296553.db2.gz QCXFNKLCZXHKAY-WWGRRREGSA-N 2 1 275.396 2.083 20 0 CEADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2C[NH2+]C[C@H]2C)nc1 ZINC000903832324 635296556 /nfs/dbraw/zinc/29/65/56/635296556.db2.gz QCXFNKLCZXHKAY-WWGRRREGSA-N 2 1 275.396 2.083 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cn3cc(Cl)ccc3n1)C2 ZINC000903843562 635302469 /nfs/dbraw/zinc/30/24/69/635302469.db2.gz NBZLUUDDESNRLE-JKOKRWQUSA-N 2 1 290.798 2.299 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cn3cc(Cl)ccc3n1)C2 ZINC000903843562 635302475 /nfs/dbraw/zinc/30/24/75/635302475.db2.gz NBZLUUDDESNRLE-JKOKRWQUSA-N 2 1 290.798 2.299 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+])C1CCCC1 ZINC000903857024 635308008 /nfs/dbraw/zinc/30/80/08/635308008.db2.gz CEZNDCLRZNRYIV-RBSFLKMASA-N 2 1 252.402 2.005 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+])C1CCCC1 ZINC000903857024 635308012 /nfs/dbraw/zinc/30/80/12/635308012.db2.gz CEZNDCLRZNRYIV-RBSFLKMASA-N 2 1 252.402 2.005 20 0 CEADMP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H](C)C(C)C ZINC000903890021 635316997 /nfs/dbraw/zinc/31/69/97/635316997.db2.gz YDVIGHUMHAEDHT-ZIAGYGMSSA-N 2 1 279.432 2.069 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2CCC[C@@]23CC[NH2+]C3)C(C)(C)O1 ZINC000903869309 635318335 /nfs/dbraw/zinc/31/83/35/635318335.db2.gz GWJSUPKKUDJFHI-BBRMVZONSA-N 2 1 266.429 2.408 20 0 CEADMP CCC(CC)[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903879597 635325238 /nfs/dbraw/zinc/32/52/38/635325238.db2.gz FOLVOUNCNLTDTE-HNNXBMFYSA-N 2 1 291.443 2.356 20 0 CEADMP CC(C)C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C(C)C ZINC000903885989 635326866 /nfs/dbraw/zinc/32/68/66/635326866.db2.gz PSGLAWHMMYVENC-AWEZNQCLSA-N 2 1 279.432 2.069 20 0 CEADMP c1c[nH]c([C@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903886372 635327781 /nfs/dbraw/zinc/32/77/81/635327781.db2.gz RCIPQWWUSKADSJ-WIGRTHMWSA-N 3 1 274.412 2.120 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000903897527 635333145 /nfs/dbraw/zinc/33/31/45/635333145.db2.gz ZTGLMWAZPQXOSU-HQSKLWIPSA-N 3 1 291.483 2.467 20 0 CEADMP c1ccc([C@@H]2CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)nc1 ZINC000903905536 635340418 /nfs/dbraw/zinc/34/04/18/635340418.db2.gz ILAQAUKCVVFJTC-VIYLOZMYSA-N 2 1 271.408 2.402 20 0 CEADMP CC[C@]1(CO)CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903908553 635343285 /nfs/dbraw/zinc/34/32/85/635343285.db2.gz KVZLFAPOOPPSBH-QGZVFWFLSA-N 2 1 274.408 2.069 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1ccc(Cn2cccn2)cc1)CC(F)F ZINC000903920347 635348509 /nfs/dbraw/zinc/34/85/09/635348509.db2.gz TXBUCQWMCOIUOF-AWEZNQCLSA-N 2 1 294.349 2.004 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](N)CC(F)F)CC1 ZINC000903927330 635354526 /nfs/dbraw/zinc/35/45/26/635354526.db2.gz XNIBFZIQJFWJRP-CQSZACIVSA-N 2 1 291.430 2.317 20 0 CEADMP CCn1c(C[NH2+]CCC(C)(C)[NH3+])nc2ccccc21 ZINC000903938913 635357052 /nfs/dbraw/zinc/35/70/52/635357052.db2.gz QDKCYHVIAFCATN-UHFFFAOYSA-N 2 1 260.385 2.273 20 0 CEADMP CO[C@@]1(C(F)(F)F)CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903939092 635363536 /nfs/dbraw/zinc/36/35/36/635363536.db2.gz DALIVUILOJVCLM-WVMKXHBISA-N 2 1 292.345 2.170 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2ccccc2NC(C)=O)CC1 ZINC000903946660 635378878 /nfs/dbraw/zinc/37/88/78/635378878.db2.gz YZPRIJIUPFCUEX-UHFFFAOYSA-N 2 1 275.396 2.348 20 0 CEADMP CC1CCC([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903972919 635391839 /nfs/dbraw/zinc/39/18/39/635391839.db2.gz MHLMAHVLQTWXAX-YMAMQOFZSA-N 2 1 266.429 2.313 20 0 CEADMP COCCOc1ccccc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903976880 635394911 /nfs/dbraw/zinc/39/49/11/635394911.db2.gz GJBJDGLOZZMHSA-HUUCEWRRSA-N 2 1 292.423 2.129 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000903978980 635395664 /nfs/dbraw/zinc/39/56/64/635395664.db2.gz QUSMMLZJVXCVER-BGTYHANMSA-N 3 1 287.451 2.315 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000903964657 635399286 /nfs/dbraw/zinc/39/92/86/635399286.db2.gz NIUDJKFNCDACRT-SCZZXKLOSA-N 2 1 258.287 2.049 20 0 CEADMP C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303987 635555495 /nfs/dbraw/zinc/55/54/95/635555495.db2.gz OIGDRLQNZFGRBM-TXEJJXNPSA-N 2 1 270.323 2.457 20 0 CEADMP C[N@@H+](C[C@@H](N)CCC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000904316354 635557268 /nfs/dbraw/zinc/55/72/68/635557268.db2.gz MMOHGIDYTNTGLX-HNNXBMFYSA-N 2 1 269.477 2.414 20 0 CEADMP CN(C[C@@H]([NH3+])CCC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000904316354 635557271 /nfs/dbraw/zinc/55/72/71/635557271.db2.gz MMOHGIDYTNTGLX-HNNXBMFYSA-N 2 1 269.477 2.414 20 0 CEADMP CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904315974 635558802 /nfs/dbraw/zinc/55/88/02/635558802.db2.gz HQHWZPZWMWAHSF-RDJZCZTQSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904315366 635561480 /nfs/dbraw/zinc/56/14/80/635561480.db2.gz AQQRWFQQZIUYDD-LUYZLQTOSA-N 2 1 260.381 2.186 20 0 CEADMP CN1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)Cc2ccccc21 ZINC000904338154 635562811 /nfs/dbraw/zinc/56/28/11/635562811.db2.gz NPONCQAZQJYGAF-QGZVFWFLSA-N 2 1 273.424 2.328 20 0 CEADMP Cc1ccccc1[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CO1 ZINC000904324425 635570702 /nfs/dbraw/zinc/57/07/02/635570702.db2.gz XQOGQKCHNSFXJH-MPTYRVRUSA-N 2 1 274.408 2.494 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000904326657 635572110 /nfs/dbraw/zinc/57/21/10/635572110.db2.gz PQIZTKCZYGMAJE-HIFRSBDPSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000904326657 635572112 /nfs/dbraw/zinc/57/21/12/635572112.db2.gz PQIZTKCZYGMAJE-HIFRSBDPSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@]1(C[N@@H+]2CCC[C@H](OC(F)F)C2)CCC[NH2+]C1 ZINC000904332518 635575759 /nfs/dbraw/zinc/57/57/59/635575759.db2.gz QOHBKIVGUDTKPE-WCQYABFASA-N 2 1 262.344 2.080 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@H](OC(F)F)C2)CCC[NH2+]C1 ZINC000904332518 635575761 /nfs/dbraw/zinc/57/57/61/635575761.db2.gz QOHBKIVGUDTKPE-WCQYABFASA-N 2 1 262.344 2.080 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)C1 ZINC000904331415 635575898 /nfs/dbraw/zinc/57/58/98/635575898.db2.gz HFBQVDLUFCDJBZ-BBWFWOEESA-N 2 1 274.408 2.057 20 0 CEADMP C[C@]1(C[N@H+](CCC[NH3+])CC2CCCC2)CCC[NH2+]C1 ZINC000904350473 635584546 /nfs/dbraw/zinc/58/45/46/635584546.db2.gz MJCVXHPGXCELSR-INIZCTEOSA-N 3 1 267.461 2.217 20 0 CEADMP C[C@]1(C[N@@H+](CCC[NH3+])CC2CCCC2)CCC[NH2+]C1 ZINC000904350473 635584549 /nfs/dbraw/zinc/58/45/49/635584549.db2.gz MJCVXHPGXCELSR-INIZCTEOSA-N 3 1 267.461 2.217 20 0 CEADMP C[C@@]1(C[NH+]2CCC(c3ccon3)CC2)CCC[NH2+]C1 ZINC000904378830 635602903 /nfs/dbraw/zinc/60/29/03/635602903.db2.gz LXXZPILLDBPBJD-OAHLLOKOSA-N 2 1 263.385 2.244 20 0 CEADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)[nH]n1 ZINC000904384064 635607164 /nfs/dbraw/zinc/60/71/64/635607164.db2.gz HRTDQAUQISLPGJ-MCIONIFRSA-N 2 1 276.428 2.450 20 0 CEADMP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n[nH]1 ZINC000904384064 635607170 /nfs/dbraw/zinc/60/71/70/635607170.db2.gz HRTDQAUQISLPGJ-MCIONIFRSA-N 2 1 276.428 2.450 20 0 CEADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n[nH]1 ZINC000904384064 635607172 /nfs/dbraw/zinc/60/71/72/635607172.db2.gz HRTDQAUQISLPGJ-MCIONIFRSA-N 2 1 276.428 2.450 20 0 CEADMP COc1cc2c(c(C[N@H+]3CC[C@@H](CC[NH3+])C3)c1)O[C@H](C)C2 ZINC000904405185 635612220 /nfs/dbraw/zinc/61/22/20/635612220.db2.gz GTUKPICBKZZQMF-CHWSQXEVSA-N 2 1 290.407 2.189 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)CC[C@@H]1C[NH3+] ZINC000904409879 635614781 /nfs/dbraw/zinc/61/47/81/635614781.db2.gz ALIICUASUAEWKI-UKRRQHHQSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]1C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000904409879 635614785 /nfs/dbraw/zinc/61/47/85/635614785.db2.gz ALIICUASUAEWKI-UKRRQHHQSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000904409879 635614788 /nfs/dbraw/zinc/61/47/88/635614788.db2.gz ALIICUASUAEWKI-UKRRQHHQSA-N 2 1 284.407 2.493 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000904409758 635615480 /nfs/dbraw/zinc/61/54/80/635615480.db2.gz HRYIALDGIMUROX-HIFRSBDPSA-N 2 1 290.407 2.198 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)CC[C@H]1C[NH3+] ZINC000904410576 635616556 /nfs/dbraw/zinc/61/65/56/635616556.db2.gz OWHBAOAYDIRVPN-RDBSUJKOSA-N 3 1 255.450 2.057 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)CC[C@H]1C[NH3+] ZINC000904410576 635616558 /nfs/dbraw/zinc/61/65/58/635616558.db2.gz OWHBAOAYDIRVPN-RDBSUJKOSA-N 3 1 255.450 2.057 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000904410246 635616780 /nfs/dbraw/zinc/61/67/80/635616780.db2.gz DJTANPLECOVFDT-KGLIPLIRSA-N 2 1 292.423 2.429 20 0 CEADMP CC(C)[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000825326532 635617468 /nfs/dbraw/zinc/61/74/68/635617468.db2.gz AEHIGVDBUFRDGX-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000904411091 635619334 /nfs/dbraw/zinc/61/93/34/635619334.db2.gz JZLOHDPISHNJLU-CHWSQXEVSA-N 2 1 278.444 2.134 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC[C@@H]1C[NH3+] ZINC000904412890 635620490 /nfs/dbraw/zinc/62/04/90/635620490.db2.gz YNSPBQDEMOJYTF-SWLSCSKDSA-N 2 1 260.381 2.038 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CCO1 ZINC000904429900 635625403 /nfs/dbraw/zinc/62/54/03/635625403.db2.gz BCXMYHYWKVYTFI-ARFHVFGLSA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CCO1 ZINC000904429900 635625410 /nfs/dbraw/zinc/62/54/10/635625410.db2.gz BCXMYHYWKVYTFI-ARFHVFGLSA-N 2 1 266.429 2.410 20 0 CEADMP COc1ccccc1/C=C\C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000904417629 635629578 /nfs/dbraw/zinc/62/95/78/635629578.db2.gz KHNUGILGADSTEG-BBUPELFUSA-N 2 1 260.381 2.235 20 0 CEADMP CCCCOc1ccc(C[NH2+]CC2([NH3+])CC2)cc1OC ZINC000904450777 635642023 /nfs/dbraw/zinc/64/20/23/635642023.db2.gz STQCRCJMUBVRJD-UHFFFAOYSA-N 2 1 278.396 2.455 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@](C)(O)C(F)F ZINC000905045345 635786444 /nfs/dbraw/zinc/78/64/44/635786444.db2.gz IJPLCCVAWDAMAX-TZMCWYRMSA-N 2 1 278.387 2.247 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000905060583 635807118 /nfs/dbraw/zinc/80/71/18/635807118.db2.gz VQBVHAWTPYSQNM-RHSMWYFYSA-N 2 1 274.408 2.102 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878865994 651200365 /nfs/dbraw/zinc/20/03/65/651200365.db2.gz PBBRKMORVBGOHJ-KGLIPLIRSA-N 2 1 290.398 2.200 20 0 CEADMP CC[C@@](O)(C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C(F)(F)F ZINC000905284246 636208648 /nfs/dbraw/zinc/20/86/48/636208648.db2.gz ACZPHVUHMOBPGK-NWDGAFQWSA-N 2 1 282.350 2.011 20 0 CEADMP Cc1ccc2ccnc(NCC[NH+]3CCC([NH3+])CC3)c2c1 ZINC000905704469 636397930 /nfs/dbraw/zinc/39/79/30/636397930.db2.gz BGENGCVFLFATSE-UHFFFAOYSA-N 2 1 284.407 2.378 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905709508 636399842 /nfs/dbraw/zinc/39/98/42/636399842.db2.gz MKMTUCSIYUUIJZ-XOYOTBSWSA-N 2 1 288.435 2.258 20 0 CEADMP CC(C)CC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000827936508 636463368 /nfs/dbraw/zinc/46/33/68/636463368.db2.gz LRLTYYFNEZPDFL-OAHLLOKOSA-N 2 1 266.429 2.409 20 0 CEADMP CC(C)CC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000827936508 636463374 /nfs/dbraw/zinc/46/33/74/636463374.db2.gz LRLTYYFNEZPDFL-OAHLLOKOSA-N 2 1 266.429 2.409 20 0 CEADMP CC(C)CC(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000828427600 636593728 /nfs/dbraw/zinc/59/37/28/636593728.db2.gz OQDXBEZATWREDT-AWEZNQCLSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)CC(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000828427600 636593732 /nfs/dbraw/zinc/59/37/32/636593732.db2.gz OQDXBEZATWREDT-AWEZNQCLSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)C1CCCC1 ZINC000906582525 636797970 /nfs/dbraw/zinc/79/79/70/636797970.db2.gz PEDGLBKYJMDDJA-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCc2ccccc21 ZINC000906787925 636853280 /nfs/dbraw/zinc/85/32/80/636853280.db2.gz IHPWXEORQSULLS-FUHWJXTLSA-N 2 1 288.435 2.453 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCc2ccccc21 ZINC000906787925 636853286 /nfs/dbraw/zinc/85/32/86/636853286.db2.gz IHPWXEORQSULLS-FUHWJXTLSA-N 2 1 288.435 2.453 20 0 CEADMP O[C@H](C[NH2+]C1(c2cccc(F)c2)CCC1)C[NH+]1CCCC1 ZINC000829721138 636916630 /nfs/dbraw/zinc/91/66/30/636916630.db2.gz SJEOJEIGRKOEKL-MRXNPFEDSA-N 2 1 292.398 2.251 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCCCCCC[NH3+] ZINC000831127055 637233945 /nfs/dbraw/zinc/23/39/45/637233945.db2.gz AGCYRIZIUMTHAU-GASCZTMLSA-N 2 1 298.475 2.068 20 0 CEADMP C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000909020858 637581827 /nfs/dbraw/zinc/58/18/27/637581827.db2.gz QUSRYZKKKGSXTL-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CCCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@H](C)C1 ZINC000910283254 637976522 /nfs/dbraw/zinc/97/65/22/637976522.db2.gz KVZMLWMAQQWYSF-KGLIPLIRSA-N 2 1 283.460 2.096 20 0 CEADMP CCCn1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)nn1 ZINC000876768055 650426537 /nfs/dbraw/zinc/42/65/37/650426537.db2.gz CNXJBVRSNNOKBO-UHFFFAOYSA-N 2 1 293.459 2.242 20 0 CEADMP Cc1c(Cl)cccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000876817353 650445170 /nfs/dbraw/zinc/44/51/70/650445170.db2.gz FUWAIKIAKOLVEC-CHWSQXEVSA-N 2 1 250.773 2.300 20 0 CEADMP CC[N@@H+](CC(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C)C1CC1 ZINC000912809149 639025300 /nfs/dbraw/zinc/02/53/00/639025300.db2.gz DIBNLZGOXMDYHB-GOEBONIOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@H](C(=O)OC[C@H]1CCCC[N@@H+]1C(C)C)[NH+](C)C ZINC000837681167 639340781 /nfs/dbraw/zinc/34/07/81/639340781.db2.gz MMIPKUZDZGDRPR-HUUCEWRRSA-N 2 1 284.444 2.379 20 0 CEADMP CC(C)[C@H](C(=O)OC[C@H]1CCCC[N@H+]1C(C)C)[NH+](C)C ZINC000837681167 639340786 /nfs/dbraw/zinc/34/07/86/639340786.db2.gz MMIPKUZDZGDRPR-HUUCEWRRSA-N 2 1 284.444 2.379 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC[C@@H]1CCCCO1 ZINC000224587642 639455486 /nfs/dbraw/zinc/45/54/86/639455486.db2.gz NKANAWBRKOBKEP-DKUMPPAJSA-N 2 1 252.402 2.290 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC[C@@H]1CCCCO1 ZINC000224587642 639455492 /nfs/dbraw/zinc/45/54/92/639455492.db2.gz NKANAWBRKOBKEP-DKUMPPAJSA-N 2 1 252.402 2.290 20 0 CEADMP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000157487566 639493843 /nfs/dbraw/zinc/49/38/43/639493843.db2.gz PXCMPXGSZFWMIQ-KFZJALRRSA-N 2 1 271.408 2.348 20 0 CEADMP Cc1ccccc1OCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228543846 639641302 /nfs/dbraw/zinc/64/13/02/639641302.db2.gz AARWYVYLWSCIHW-ARFHVFGLSA-N 2 1 274.408 2.433 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[Si](C)(C)C)CC1 ZINC000172190961 639751763 /nfs/dbraw/zinc/75/17/63/639751763.db2.gz AAFXXFFLEDFFDC-IYBDPMFKSA-N 2 1 297.563 2.354 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2COC(C)(C)C2)cn1 ZINC000841857411 639885232 /nfs/dbraw/zinc/88/52/32/639885232.db2.gz YDLFRVCWSVFVLR-CQSZACIVSA-N 2 1 286.379 2.233 20 0 CEADMP O[C@@H](CC1CCCC1)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000232148771 639903309 /nfs/dbraw/zinc/90/33/09/639903309.db2.gz RVQUOAGXJUFQFS-KRWDZBQOSA-N 2 1 280.456 2.392 20 0 CEADMP COC[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C(C)C ZINC000929704668 640025202 /nfs/dbraw/zinc/02/52/02/640025202.db2.gz ZKWZKDMTLUYRHF-HUUCEWRRSA-N 2 1 256.434 2.179 20 0 CEADMP COC[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000929704668 640025205 /nfs/dbraw/zinc/02/52/05/640025205.db2.gz ZKWZKDMTLUYRHF-HUUCEWRRSA-N 2 1 256.434 2.179 20 0 CEADMP COC[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000929704668 640025213 /nfs/dbraw/zinc/02/52/13/640025213.db2.gz ZKWZKDMTLUYRHF-HUUCEWRRSA-N 2 1 256.434 2.179 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000842476737 640076601 /nfs/dbraw/zinc/07/66/01/640076601.db2.gz UIVOUPSEAPUSTM-KBPBESRZSA-N 2 1 283.460 2.049 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000842686953 640150302 /nfs/dbraw/zinc/15/03/02/640150302.db2.gz MFHPLIDXHZSPNY-HUUCEWRRSA-N 2 1 299.422 2.230 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n(C)n1 ZINC000842764742 640174120 /nfs/dbraw/zinc/17/41/20/640174120.db2.gz UXALHALHBUOZHU-AEFFLSMTSA-N 2 1 298.434 2.164 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)n(C)n1 ZINC000842764742 640174124 /nfs/dbraw/zinc/17/41/24/640174124.db2.gz UXALHALHBUOZHU-AEFFLSMTSA-N 2 1 298.434 2.164 20 0 CEADMP C[C@@H]1SCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000842779052 640179982 /nfs/dbraw/zinc/17/99/82/640179982.db2.gz JWPUPGMQOGAHDR-GXSJLCMTSA-N 2 1 271.455 2.188 20 0 CEADMP COC(=O)c1[nH]c(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000877073757 650559585 /nfs/dbraw/zinc/55/95/85/650559585.db2.gz RVDKDLOZUJSZCJ-JSGCOSHPSA-N 2 1 293.411 2.072 20 0 CEADMP CCCCCCNC(=O)[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000843060395 640264182 /nfs/dbraw/zinc/26/41/82/640264182.db2.gz HCTOADUYKJRFFC-CQSZACIVSA-N 2 1 283.460 2.132 20 0 CEADMP CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000843060395 640264186 /nfs/dbraw/zinc/26/41/86/640264186.db2.gz HCTOADUYKJRFFC-CQSZACIVSA-N 2 1 283.460 2.132 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000843123871 640291238 /nfs/dbraw/zinc/29/12/38/640291238.db2.gz QZBDEUIAMOQTHF-MRXNPFEDSA-N 2 1 260.381 2.420 20 0 CEADMP CCc1ccc2c(C[N@H+]3CC[C@@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000843348636 640398454 /nfs/dbraw/zinc/39/84/54/640398454.db2.gz UQWVJTNQRFCSEK-ZDUSSCGKSA-N 2 1 286.375 2.136 20 0 CEADMP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354989 640401360 /nfs/dbraw/zinc/40/13/60/640401360.db2.gz IBEZIUCTLRGVGR-NFOMZHRRSA-N 2 1 283.460 2.081 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@@H+](CC)C(C)C ZINC000843797950 640529362 /nfs/dbraw/zinc/52/93/62/640529362.db2.gz BZHYHIUSPXCUOK-AWEZNQCLSA-N 2 1 294.443 2.243 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@H+](CC)C(C)C ZINC000843797950 640529364 /nfs/dbraw/zinc/52/93/64/640529364.db2.gz BZHYHIUSPXCUOK-AWEZNQCLSA-N 2 1 294.443 2.243 20 0 CEADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(Cl)nn2)c1 ZINC000877144731 650594044 /nfs/dbraw/zinc/59/40/44/650594044.db2.gz UEVYPWOWADRELX-UHFFFAOYSA-N 2 1 290.798 2.481 20 0 CEADMP C[N@@H+]1CCN(C(=O)c2cccc(C[NH3+])c2)c2ccccc2C1 ZINC000844182781 640625681 /nfs/dbraw/zinc/62/56/81/640625681.db2.gz MBPCDZGNGVSJSY-UHFFFAOYSA-N 2 1 295.386 2.238 20 0 CEADMP C[N@H+]1CCN(C(=O)c2cccc(C[NH3+])c2)c2ccccc2C1 ZINC000844182781 640625685 /nfs/dbraw/zinc/62/56/85/640625685.db2.gz MBPCDZGNGVSJSY-UHFFFAOYSA-N 2 1 295.386 2.238 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCCCCC[NH3+])C[C@@H]1C ZINC000844185697 640626874 /nfs/dbraw/zinc/62/68/74/640626874.db2.gz PATCXRRXVPQNNB-LSDHHAIUSA-N 2 1 283.460 2.227 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc(C[NH3+])c1 ZINC000844188725 640627835 /nfs/dbraw/zinc/62/78/35/640627835.db2.gz YQOHTHQQOJGIAG-INIZCTEOSA-N 2 1 289.423 2.092 20 0 CEADMP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994405295 640831541 /nfs/dbraw/zinc/83/15/41/640831541.db2.gz IMQIGOSYRGODDG-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994405295 640831546 /nfs/dbraw/zinc/83/15/46/640831546.db2.gz IMQIGOSYRGODDG-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCC(C)(F)F)CC2)C1 ZINC000929981854 640885773 /nfs/dbraw/zinc/88/57/73/640885773.db2.gz RLLBQFBSGFAYOG-AWEZNQCLSA-N 2 1 289.414 2.134 20 0 CEADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2cn3ccsc3n2)C1 ZINC000925472101 641080528 /nfs/dbraw/zinc/08/05/28/641080528.db2.gz AANGUFFOHPRKGL-WDEREUQCSA-N 2 1 278.425 2.391 20 0 CEADMP CCC(CC)(C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)SC ZINC000232923587 641082809 /nfs/dbraw/zinc/08/28/09/641082809.db2.gz QQBCXWCHWDLUJI-QWHCGFSZSA-N 2 1 274.474 2.265 20 0 CEADMP CC[N@@H+](CCC[NH2+][C@H](C)CCO)C1CCCCC1 ZINC000846181607 641214832 /nfs/dbraw/zinc/21/48/32/641214832.db2.gz GJSHSFFOMJGMAO-CQSZACIVSA-N 2 1 256.434 2.392 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000846217765 641225920 /nfs/dbraw/zinc/22/59/20/641225920.db2.gz AFJOZSWWVCVFBX-CYBMUJFWSA-N 2 1 250.390 2.108 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000846217765 641225925 /nfs/dbraw/zinc/22/59/25/641225925.db2.gz AFJOZSWWVCVFBX-CYBMUJFWSA-N 2 1 250.390 2.108 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000846217765 641225929 /nfs/dbraw/zinc/22/59/29/641225929.db2.gz AFJOZSWWVCVFBX-CYBMUJFWSA-N 2 1 250.390 2.108 20 0 CEADMP C[N@H+](CCCCCC[NH3+])Cc1cnn(-c2ccccc2)n1 ZINC000846218193 641227345 /nfs/dbraw/zinc/22/73/45/641227345.db2.gz KKACLHQBOSDCMU-UHFFFAOYSA-N 2 1 287.411 2.218 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1cnn(-c2ccccc2)n1 ZINC000846218193 641227350 /nfs/dbraw/zinc/22/73/50/641227350.db2.gz KKACLHQBOSDCMU-UHFFFAOYSA-N 2 1 287.411 2.218 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000252542246 641579826 /nfs/dbraw/zinc/57/98/26/641579826.db2.gz FRTMHMAYHPKRHI-LYYZXLFJSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000252542246 641579829 /nfs/dbraw/zinc/57/98/29/641579829.db2.gz FRTMHMAYHPKRHI-LYYZXLFJSA-N 2 1 266.429 2.264 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070171059 641640184 /nfs/dbraw/zinc/64/01/84/641640184.db2.gz DYQGGLSIRHBLKS-LSDHHAIUSA-N 2 1 283.460 2.132 20 0 CEADMP FC(F)(F)SCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848519383 642026041 /nfs/dbraw/zinc/02/60/41/642026041.db2.gz BHEKOCBQOIYQBU-NSHDSACASA-N 2 1 298.374 2.082 20 0 CEADMP C(CC1CCC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848533911 642038743 /nfs/dbraw/zinc/03/87/43/642038743.db2.gz OCNCOARCKRBDNO-INIZCTEOSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996668094 642125654 /nfs/dbraw/zinc/12/56/54/642125654.db2.gz HYLXOYZSSZFJOD-MRXNPFEDSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1 ZINC000877452266 650725460 /nfs/dbraw/zinc/72/54/60/650725460.db2.gz VRSNAEOKKIAYII-RCBQFDQVSA-N 2 1 287.407 2.015 20 0 CEADMP CC[C@H](C)NC(=[NH2+])NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000848981614 642204524 /nfs/dbraw/zinc/20/45/24/642204524.db2.gz DTYOYSSTUVBJQZ-DZGCQCFKSA-N 2 1 276.428 2.072 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921536919 642213890 /nfs/dbraw/zinc/21/38/90/642213890.db2.gz LLDNYQFEEJVUDY-GASCZTMLSA-N 2 1 296.434 2.310 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921536919 642213891 /nfs/dbraw/zinc/21/38/91/642213891.db2.gz LLDNYQFEEJVUDY-GASCZTMLSA-N 2 1 296.434 2.310 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921546292 642220889 /nfs/dbraw/zinc/22/08/89/642220889.db2.gz HHSWCLZSTALYRG-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921546292 642220892 /nfs/dbraw/zinc/22/08/92/642220892.db2.gz HHSWCLZSTALYRG-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP C[C@@H](C[NH2+]Cc1cccc2[nH]c(=O)oc21)C[NH+]1CCCC1 ZINC000921551196 642231500 /nfs/dbraw/zinc/23/15/00/642231500.db2.gz AUMKQZKITCRMKQ-LBPRGKRZSA-N 2 1 289.379 2.355 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1CC(F)(F)C1 ZINC000849039359 642250760 /nfs/dbraw/zinc/25/07/60/642250760.db2.gz UIXYAANJBSIIMI-LBPRGKRZSA-N 2 1 288.386 2.020 20 0 CEADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000877506243 650756033 /nfs/dbraw/zinc/75/60/33/650756033.db2.gz SBFLDKVQFCTLLO-HZSPNIEDSA-N 2 1 299.459 2.362 20 0 CEADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000877506243 650756035 /nfs/dbraw/zinc/75/60/35/650756035.db2.gz SBFLDKVQFCTLLO-HZSPNIEDSA-N 2 1 299.459 2.362 20 0 CEADMP CC(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999137481 642463380 /nfs/dbraw/zinc/46/33/80/642463380.db2.gz NIWBNFKCTJSYHD-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]C(C)C)C2)C1 ZINC000999292226 642477765 /nfs/dbraw/zinc/47/77/65/642477765.db2.gz ZDEZIIMQDLBVAW-QQFBHYJXSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999403647 642486859 /nfs/dbraw/zinc/48/68/59/642486859.db2.gz XEYIQCXYRSWJBC-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CC)C1 ZINC000999668949 642504464 /nfs/dbraw/zinc/50/44/64/642504464.db2.gz NTIHTUBAZNZOFS-GPANFISMSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC1(C)CCCC1 ZINC000877527955 650768084 /nfs/dbraw/zinc/76/80/84/650768084.db2.gz XJCRWGAQDIQDDZ-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(Cl)nn3)C2)CC1 ZINC000877528681 650769284 /nfs/dbraw/zinc/76/92/84/650769284.db2.gz HXPUPEDCCJNLLD-ZDUSSCGKSA-N 2 1 294.830 2.294 20 0 CEADMP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000850382090 642692209 /nfs/dbraw/zinc/69/22/09/642692209.db2.gz MYQHVEZLZVLDMC-GFCCVEGCSA-N 2 1 253.415 2.483 20 0 CEADMP C[C@@H](CC[NH2+]Cc1cnn(CC2CCC2)c1)[NH+](C)C ZINC000922254426 642983691 /nfs/dbraw/zinc/98/36/91/642983691.db2.gz KDCYCMSUYQJEHE-ZDUSSCGKSA-N 2 1 264.417 2.113 20 0 CEADMP CC(C)CCC[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922385849 643057332 /nfs/dbraw/zinc/05/73/32/643057332.db2.gz CAQFBFWSKVOPJP-VQHPVUNQSA-N 2 1 282.472 2.492 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H]3CCC(=O)O3)C2)CC1 ZINC000851741942 643139630 /nfs/dbraw/zinc/13/96/30/643139630.db2.gz PNIADDHSXOTPLV-HZPDHXFCSA-N 2 1 294.439 2.136 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CCC(=O)O3)C2)CC1 ZINC000851741942 643139635 /nfs/dbraw/zinc/13/96/35/643139635.db2.gz PNIADDHSXOTPLV-HZPDHXFCSA-N 2 1 294.439 2.136 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851796168 643167082 /nfs/dbraw/zinc/16/70/82/643167082.db2.gz WLWXZLYOFHEFBI-JKSUJKDBSA-N 2 1 296.455 2.192 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851796168 643167087 /nfs/dbraw/zinc/16/70/87/643167087.db2.gz WLWXZLYOFHEFBI-JKSUJKDBSA-N 2 1 296.455 2.192 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851796168 643167089 /nfs/dbraw/zinc/16/70/89/643167089.db2.gz WLWXZLYOFHEFBI-JKSUJKDBSA-N 2 1 296.455 2.192 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]23CCC[C@H]2OCC3)CC1(C)C ZINC000922697253 643210577 /nfs/dbraw/zinc/21/05/77/643210577.db2.gz SALIXOISJDWSCT-SQWLQELKSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000922694573 643213015 /nfs/dbraw/zinc/21/30/15/643213015.db2.gz KYFQTWTUWGDHRZ-RYUDHWBXSA-N 2 1 280.334 2.170 20 0 CEADMP Cc1nc2c(cccc2CC[NH2+]C2CC[NH+](C)CC2)o1 ZINC000922770515 643255819 /nfs/dbraw/zinc/25/58/19/643255819.db2.gz MSZBPAPNCSVODL-UHFFFAOYSA-N 2 1 273.380 2.363 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCS1 ZINC000922839278 643290990 /nfs/dbraw/zinc/29/09/90/643290990.db2.gz RPIAJKCLOHPHIY-SYQHCUMBSA-N 2 1 254.443 2.487 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCCCCCO)C2 ZINC000852108596 643312263 /nfs/dbraw/zinc/31/22/63/643312263.db2.gz IDDMZZGCXVWEBH-INIZCTEOSA-N 2 1 268.445 2.347 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCCCCCO)C2 ZINC000852108596 643312268 /nfs/dbraw/zinc/31/22/68/643312268.db2.gz IDDMZZGCXVWEBH-INIZCTEOSA-N 2 1 268.445 2.347 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCCCCCO)C2 ZINC000852108596 643312272 /nfs/dbraw/zinc/31/22/72/643312272.db2.gz IDDMZZGCXVWEBH-INIZCTEOSA-N 2 1 268.445 2.347 20 0 CEADMP COCC[N@@H+](C[C@@H]1CCSC1)CC1CC[NH+](C)CC1 ZINC000877664794 650840414 /nfs/dbraw/zinc/84/04/14/650840414.db2.gz XBQQSWCXHUWLQW-HNNXBMFYSA-N 2 1 286.485 2.030 20 0 CEADMP CO[C@@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CCCCC1 ZINC000852751309 643535713 /nfs/dbraw/zinc/53/57/13/643535713.db2.gz WTVCBHLJENGWJI-JKSUJKDBSA-N 2 1 266.429 2.410 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CCCCC1 ZINC000852751309 643535721 /nfs/dbraw/zinc/53/57/21/643535721.db2.gz WTVCBHLJENGWJI-JKSUJKDBSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H](CO)[C@@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000852754530 643537937 /nfs/dbraw/zinc/53/79/37/643537937.db2.gz DTTUBZROMQZSTO-CABCVRRESA-N 2 1 256.434 2.379 20 0 CEADMP NC(=O)c1cccc2c1CC[N@@H+](CCCCCCC[NH3+])C2 ZINC000852762358 643542037 /nfs/dbraw/zinc/54/20/37/643542037.db2.gz KVMYQOQILHMKOO-UHFFFAOYSA-N 2 1 289.423 2.053 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923281653 643636934 /nfs/dbraw/zinc/63/69/34/643636934.db2.gz QUVULAPWDUKRQE-APWZRJJASA-N 2 1 298.430 2.414 20 0 CEADMP C[C@@](C[NH3+])([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)C1CC1 ZINC000923295880 643647428 /nfs/dbraw/zinc/64/74/28/643647428.db2.gz JLYYORHKINIYOV-KGLIPLIRSA-N 2 1 286.778 2.230 20 0 CEADMP CC(C)[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCCC1 ZINC000923307672 643649575 /nfs/dbraw/zinc/64/95/75/643649575.db2.gz WTMYEUHHVYAIDG-CQSZACIVSA-N 2 1 252.402 2.018 20 0 CEADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000923303294 643650868 /nfs/dbraw/zinc/65/08/68/643650868.db2.gz BMKHURAYQQSNIF-JKSUJKDBSA-N 2 1 278.440 2.410 20 0 CEADMP C[C@H](O)C[N@@H+](CCC[NH2+]C1CC1)C1CCCCC1 ZINC000923312870 643653281 /nfs/dbraw/zinc/65/32/81/643653281.db2.gz RKXAVPTZOYTDCF-ZDUSSCGKSA-N 2 1 254.418 2.144 20 0 CEADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317076 643656497 /nfs/dbraw/zinc/65/64/97/643656497.db2.gz YLVBBMYJHWZDTE-DOTOQJQBSA-N 2 1 286.419 2.374 20 0 CEADMP C[N@@H+](CCC[NH2+]C1CC1)CCc1ccc(F)cc1 ZINC000923308732 643657378 /nfs/dbraw/zinc/65/73/78/643657378.db2.gz FUPHXNFWIKZTKM-UHFFFAOYSA-N 2 1 250.361 2.442 20 0 CEADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000923311987 643658119 /nfs/dbraw/zinc/65/81/19/643658119.db2.gz FEYPEVNKRYJZKG-QZWWFDLISA-N 2 1 274.408 2.107 20 0 CEADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923324933 643663272 /nfs/dbraw/zinc/66/32/72/643663272.db2.gz NRKQSPFEXUIGBH-KCBNDJSGSA-N 2 1 291.483 2.325 20 0 CEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(C2CC2)C1 ZINC000923324043 643663453 /nfs/dbraw/zinc/66/34/53/643663453.db2.gz PPFCLXMUHKJMRN-UCMJJCQDSA-N 2 1 277.456 2.076 20 0 CEADMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCC[NH2+]C1CC1 ZINC000923327232 643664225 /nfs/dbraw/zinc/66/42/25/643664225.db2.gz QUOMLIFHKCXWQM-JKSUJKDBSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923333097 643666183 /nfs/dbraw/zinc/66/61/83/643666183.db2.gz UBNNNCUXMWBCTO-JVPBZIDWSA-N 2 1 298.430 2.412 20 0 CEADMP CC[N@@H+](C[C@H](O)CCC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000923337371 643669112 /nfs/dbraw/zinc/66/91/12/643669112.db2.gz YTXNDGZHYZAVRB-LSDHHAIUSA-N 2 1 256.434 2.248 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000923358668 643676854 /nfs/dbraw/zinc/67/68/54/643676854.db2.gz KBKWCVCXCGADJH-KBPBESRZSA-N 2 1 277.412 2.449 20 0 CEADMP C[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)[C@H](C[NH3+])C1CC1 ZINC000923356449 643678120 /nfs/dbraw/zinc/67/81/20/643678120.db2.gz INNNXDWNCUXRFX-RBUKOAKNSA-N 2 1 298.430 2.412 20 0 CEADMP C[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)[C@H](C[NH3+])C1CC1 ZINC000923356449 643678123 /nfs/dbraw/zinc/67/81/23/643678123.db2.gz INNNXDWNCUXRFX-RBUKOAKNSA-N 2 1 298.430 2.412 20 0 CEADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000923367209 643682143 /nfs/dbraw/zinc/68/21/43/643682143.db2.gz CUCITEYVTHKTAS-HOCLYGCPSA-N 2 1 294.439 2.006 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)C1CCCCC1 ZINC000923373878 643683832 /nfs/dbraw/zinc/68/38/32/643683832.db2.gz PSTPMGLAEWHBJZ-LSDHHAIUSA-N 2 1 290.407 2.324 20 0 CEADMP C(C[N@H+]1CCOC[C@@H]1C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923373516 643684206 /nfs/dbraw/zinc/68/42/06/643684206.db2.gz QKHLJXITGZOOHY-YPAMNDHTSA-N 2 1 264.413 2.018 20 0 CEADMP OCC[C@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923386362 643692740 /nfs/dbraw/zinc/69/27/40/643692740.db2.gz MUZGRKRYIHQQJO-WTXIUTQJSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)CCc2ccccc2)[C@H]1CC[NH3+] ZINC000923389373 643693846 /nfs/dbraw/zinc/69/38/46/643693846.db2.gz XCAQRTHJEIETDC-NJAFHUGGSA-N 2 1 290.451 2.429 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)CC1CCCC1 ZINC000923428857 643707025 /nfs/dbraw/zinc/70/70/25/643707025.db2.gz LQEQLPAHWXSOMX-LSDHHAIUSA-N 2 1 266.429 2.192 20 0 CEADMP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001006084760 643715518 /nfs/dbraw/zinc/71/55/18/643715518.db2.gz UMJJSLYYUSIHPE-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000923479126 643731307 /nfs/dbraw/zinc/73/13/07/643731307.db2.gz LOZHSTZRHDRHBQ-SNVBAGLBSA-N 2 1 273.302 2.271 20 0 CEADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487956 643731782 /nfs/dbraw/zinc/73/17/82/643731782.db2.gz OMOXAFHGMNORJB-RYUDHWBXSA-N 2 1 295.814 2.338 20 0 CEADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487956 643731788 /nfs/dbraw/zinc/73/17/88/643731788.db2.gz OMOXAFHGMNORJB-RYUDHWBXSA-N 2 1 295.814 2.338 20 0 CEADMP Cc1sc(NC(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)c(C)c1C ZINC000923483102 643732086 /nfs/dbraw/zinc/73/20/86/643732086.db2.gz XTTBADXXIZRMMN-ZDUSSCGKSA-N 2 1 295.452 2.283 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)c(F)c1 ZINC000923485357 643732628 /nfs/dbraw/zinc/73/26/28/643732628.db2.gz IRSBXKIYPLSTNU-QWHCGFSZSA-N 2 1 293.386 2.132 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923495315 643733892 /nfs/dbraw/zinc/73/38/92/643733892.db2.gz AJOKDQFJYALJOB-WFASDCNBSA-N 2 1 275.396 2.062 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccnc2Cl)CC[C@@H]1C[NH3+] ZINC000923496442 643734065 /nfs/dbraw/zinc/73/40/65/643734065.db2.gz AAMUUGKOQSZKCY-WDEREUQCSA-N 2 1 253.777 2.152 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)CC[C@H]1C[NH3+] ZINC000923496377 643734514 /nfs/dbraw/zinc/73/45/14/643734514.db2.gz BPGKMEAHAYXVCU-PWSUYJOCSA-N 2 1 296.798 2.485 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)cn2)CC[C@H]1C[NH3+] ZINC000923494057 643738001 /nfs/dbraw/zinc/73/80/01/643738001.db2.gz KFPNRYFSWNTWLJ-QWRGUYRKSA-N 2 1 253.777 2.152 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)C1CCCC1 ZINC000923496787 643739331 /nfs/dbraw/zinc/73/93/31/643739331.db2.gz DNOOLNCHPPOUJH-GJZGRUSLSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)CC[C@@H]1C[NH3+] ZINC000923497640 643739662 /nfs/dbraw/zinc/73/96/62/643739662.db2.gz HXTVQYZICVVUPW-GHMZBOCLSA-N 2 1 254.324 2.382 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501793 643742628 /nfs/dbraw/zinc/74/26/28/643742628.db2.gz VRCDCQOKHISZSB-OWCLPIDISA-N 2 1 297.487 2.234 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923505062 643742905 /nfs/dbraw/zinc/74/29/05/643742905.db2.gz XFKYRPSHXPCKKU-HUUCEWRRSA-N 2 1 262.397 2.291 20 0 CEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1nc(-c2cccs2)no1 ZINC000923553853 643760193 /nfs/dbraw/zinc/76/01/93/643760193.db2.gz KIOKDSXBCPMNPU-LLVKDONJSA-N 2 1 292.408 2.230 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]CC(C)(C)CC(=O)OCC)C1 ZINC000838911469 644066272 /nfs/dbraw/zinc/06/62/72/644066272.db2.gz BHXISCMBEVKMHS-CQSZACIVSA-N 2 1 284.444 2.287 20 0 CEADMP C(C[N@H+]1CC[C@H]([C@H]2CCCO2)C1)C[NH+]1CCCCC1 ZINC000886822619 644267841 /nfs/dbraw/zinc/26/78/41/644267841.db2.gz SHHSDUGIYLSDFT-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCO)c1cccs1 ZINC000754383925 644365418 /nfs/dbraw/zinc/36/54/18/644365418.db2.gz PUJCHGXLSOEJIK-OLZOCXBDSA-N 2 1 268.426 2.246 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCO)c1cccs1 ZINC000754383925 644365423 /nfs/dbraw/zinc/36/54/23/644365423.db2.gz PUJCHGXLSOEJIK-OLZOCXBDSA-N 2 1 268.426 2.246 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000754795939 644431706 /nfs/dbraw/zinc/43/17/06/644431706.db2.gz RWUGUZXWIZLMQZ-HLLBOEOZSA-N 2 1 274.408 2.245 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3cc(Cl)cn3)C2)CC1 ZINC000755776146 644560510 /nfs/dbraw/zinc/56/05/10/644560510.db2.gz XMUYFXBGSOHZHK-CYBMUJFWSA-N 2 1 282.819 2.158 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3cc(Cl)cn3)C2)CC1 ZINC000755776146 644560514 /nfs/dbraw/zinc/56/05/14/644560514.db2.gz XMUYFXBGSOHZHK-CYBMUJFWSA-N 2 1 282.819 2.158 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCc3cncs3)C2)CC1 ZINC000839592532 644750518 /nfs/dbraw/zinc/75/05/18/644750518.db2.gz TZGLEULQWDDLIT-UHFFFAOYSA-N 2 1 279.453 2.493 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858134062 645070173 /nfs/dbraw/zinc/07/01/73/645070173.db2.gz HYSDUIHAYKALDB-GOEBONIOSA-N 2 1 276.424 2.491 20 0 CEADMP CC(C)[C@@H](O)CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000878034202 650979545 /nfs/dbraw/zinc/97/95/45/650979545.db2.gz KQITYKOCEFNWLF-HNNXBMFYSA-N 2 1 256.434 2.198 20 0 CEADMP OCc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc[nH+]1 ZINC000858454081 645165228 /nfs/dbraw/zinc/16/52/28/645165228.db2.gz VDQFEIMXZRXZIH-GUYCJALGSA-N 2 1 287.407 2.027 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(CC[NH+]2CCCC2)CC1 ZINC000760830871 645198534 /nfs/dbraw/zinc/19/85/34/645198534.db2.gz OVZJTRVYIWRELJ-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP CC(C)[N@H+](C)CC1CC[NH+](CCN2CCCC2)CC1 ZINC000760830871 645198535 /nfs/dbraw/zinc/19/85/35/645198535.db2.gz OVZJTRVYIWRELJ-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCN2CCCC2)CC1 ZINC000760830871 645198538 /nfs/dbraw/zinc/19/85/38/645198538.db2.gz OVZJTRVYIWRELJ-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP CC(C)CC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000760969292 645218651 /nfs/dbraw/zinc/21/86/51/645218651.db2.gz ZCOBOYBKCXYJCR-MRXNPFEDSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)[C@H](O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213379 645421530 /nfs/dbraw/zinc/42/15/30/645421530.db2.gz MYWJDSRPTFOHJV-MRXNPFEDSA-N 2 1 264.413 2.197 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H](O)C(C)C)[C@@H](C)C1 ZINC000878257239 651046378 /nfs/dbraw/zinc/04/63/78/651046378.db2.gz FWJSVIMHCCSJLM-SOUVJXGZSA-N 2 1 256.434 2.056 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H](O)C(C)C)[C@@H](C)C1 ZINC000878257239 651046380 /nfs/dbraw/zinc/04/63/80/651046380.db2.gz FWJSVIMHCCSJLM-SOUVJXGZSA-N 2 1 256.434 2.056 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H](O)C(C)C)[C@@H](C)C1 ZINC000878257239 651046382 /nfs/dbraw/zinc/04/63/82/651046382.db2.gz FWJSVIMHCCSJLM-SOUVJXGZSA-N 2 1 256.434 2.056 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[S@@](C)=O)cc1 ZINC000766049971 645840300 /nfs/dbraw/zinc/84/03/00/645840300.db2.gz NRHHLTMINXERPV-FKIZINRSSA-N 2 1 291.420 2.210 20 0 CEADMP CN(CC[N@@H+](C)CCCC1CC1)C1CC[NH+](C)CC1 ZINC000878312723 651062465 /nfs/dbraw/zinc/06/24/65/651062465.db2.gz QCDJVIAKEQNDQQ-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP CCOC(CN(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)OCC ZINC000767792330 646040409 /nfs/dbraw/zinc/04/04/09/646040409.db2.gz LLVXIXVGGSXAIR-UONOGXRCSA-N 2 1 272.433 2.190 20 0 CEADMP CCOC(C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1)OCC ZINC000767792330 646040416 /nfs/dbraw/zinc/04/04/16/646040416.db2.gz LLVXIXVGGSXAIR-UONOGXRCSA-N 2 1 272.433 2.190 20 0 CEADMP CCOC(C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1)OCC ZINC000767792330 646040422 /nfs/dbraw/zinc/04/04/22/646040422.db2.gz LLVXIXVGGSXAIR-UONOGXRCSA-N 2 1 272.433 2.190 20 0 CEADMP CCOC(C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)OCC ZINC000767792330 646040426 /nfs/dbraw/zinc/04/04/26/646040426.db2.gz LLVXIXVGGSXAIR-UONOGXRCSA-N 2 1 272.433 2.190 20 0 CEADMP CCOC(C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)OCC ZINC000767792330 646040429 /nfs/dbraw/zinc/04/04/29/646040429.db2.gz LLVXIXVGGSXAIR-UONOGXRCSA-N 2 1 272.433 2.190 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)NC(C)(C)C)cc1 ZINC000768199117 646094877 /nfs/dbraw/zinc/09/48/77/646094877.db2.gz AVTTVBNENYMXSB-UHFFFAOYSA-N 2 1 291.439 2.095 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)NC(C)(C)C)cc1 ZINC000768199117 646094889 /nfs/dbraw/zinc/09/48/89/646094889.db2.gz AVTTVBNENYMXSB-UHFFFAOYSA-N 2 1 291.439 2.095 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000862791505 646571009 /nfs/dbraw/zinc/57/10/09/646571009.db2.gz DSCGLVSKKGAPNE-INIZCTEOSA-N 2 1 297.487 2.347 20 0 CEADMP Cc1ncc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000773083681 646705042 /nfs/dbraw/zinc/70/50/42/646705042.db2.gz VDASYGSIRFZBPS-QWHCGFSZSA-N 2 1 265.426 2.210 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC[N@@H+]1C ZINC000773134462 646710148 /nfs/dbraw/zinc/71/01/48/646710148.db2.gz JMUJUMGWYYOJHI-DHGKCCLASA-N 2 1 286.510 2.438 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC[N@H+]1C ZINC000773134462 646710151 /nfs/dbraw/zinc/71/01/51/646710151.db2.gz JMUJUMGWYYOJHI-DHGKCCLASA-N 2 1 286.510 2.438 20 0 CEADMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000863542381 646751917 /nfs/dbraw/zinc/75/19/17/646751917.db2.gz QGGQVEQIMFXVDG-MROQNXINSA-N 2 1 284.494 2.240 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000863642100 646775591 /nfs/dbraw/zinc/77/55/91/646775591.db2.gz QANFDPHZUITYQY-ZDUSSCGKSA-N 2 1 258.365 2.133 20 0 CEADMP Cc1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c(C)o1 ZINC000119923840 646948325 /nfs/dbraw/zinc/94/83/25/646948325.db2.gz QZJVIHCZASIUET-UHFFFAOYSA-N 2 1 279.428 2.014 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)C[C@H](O)c2ccco2)CC1 ZINC000775402175 646950426 /nfs/dbraw/zinc/95/04/26/646950426.db2.gz ZNCKOOSXZWFZIZ-JSGCOSHPSA-N 2 1 266.385 2.166 20 0 CEADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)Cc1ccsc1 ZINC000778372642 647224092 /nfs/dbraw/zinc/22/40/92/647224092.db2.gz CPJLGELFIPELRH-ZBFHGGJFSA-N 2 1 296.480 2.458 20 0 CEADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)Cc1ccsc1 ZINC000778372642 647224096 /nfs/dbraw/zinc/22/40/96/647224096.db2.gz CPJLGELFIPELRH-ZBFHGGJFSA-N 2 1 296.480 2.458 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000865439387 647293763 /nfs/dbraw/zinc/29/37/63/647293763.db2.gz RDBCXSAGMWUIDA-JTQLQIEISA-N 2 1 285.313 2.419 20 0 CEADMP CN(C)c1ccc(F)cc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000865456139 647302174 /nfs/dbraw/zinc/30/21/74/647302174.db2.gz KPHMBZFTBGLIKA-ZDUSSCGKSA-N 2 1 279.403 2.323 20 0 CEADMP CN(C)c1ccc(F)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000865456139 647302175 /nfs/dbraw/zinc/30/21/75/647302175.db2.gz KPHMBZFTBGLIKA-ZDUSSCGKSA-N 2 1 279.403 2.323 20 0 CEADMP COCCc1ncc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000865483671 647319410 /nfs/dbraw/zinc/31/94/10/647319410.db2.gz OJZXNKBQARTATR-OLZOCXBDSA-N 2 1 297.468 2.294 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000779396854 647319478 /nfs/dbraw/zinc/31/94/78/647319478.db2.gz QZGPSCCDUMIAFK-ZIAGYGMSSA-N 2 1 282.453 2.321 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000779396854 647319480 /nfs/dbraw/zinc/31/94/80/647319480.db2.gz QZGPSCCDUMIAFK-ZIAGYGMSSA-N 2 1 282.453 2.321 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000865777856 647460262 /nfs/dbraw/zinc/46/02/62/647460262.db2.gz MQLRJBFLYXYZEK-HNNXBMFYSA-N 2 1 289.423 2.444 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1c2ccccc2CN1C ZINC000865805643 647470416 /nfs/dbraw/zinc/47/04/16/647470416.db2.gz HQMPGSYBOVDSKP-SFHVURJKSA-N 2 1 296.418 2.424 20 0 CEADMP C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781416642 647525486 /nfs/dbraw/zinc/52/54/86/647525486.db2.gz LCCAAAALVSURDN-UONOGXRCSA-N 2 1 276.428 2.163 20 0 CEADMP C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781416642 647525489 /nfs/dbraw/zinc/52/54/89/647525489.db2.gz LCCAAAALVSURDN-UONOGXRCSA-N 2 1 276.428 2.163 20 0 CEADMP C([NH2+][C@@H](C1CCC1)[C@H]1CCCO1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000866229436 647683229 /nfs/dbraw/zinc/68/32/29/647683229.db2.gz PQWOMCHEQMUTPB-XYPHTWIQSA-N 2 1 278.440 2.408 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866243211 647690120 /nfs/dbraw/zinc/69/01/20/647690120.db2.gz WNXZRVVLKYEXHJ-IAGOWNOFSA-N 2 1 296.455 2.035 20 0 CEADMP COC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000866505719 647808903 /nfs/dbraw/zinc/80/89/03/647808903.db2.gz SVMLECUYKJWBQP-MCIONIFRSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CC[C@@H]2CN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC[C@H]21 ZINC000866584608 647832473 /nfs/dbraw/zinc/83/24/73/647832473.db2.gz OYVIEQGOGXSNJK-GUDVDZBRSA-N 2 1 299.462 2.287 20 0 CEADMP C[NH+]1CC[C@@H]2CN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC000866584608 647832477 /nfs/dbraw/zinc/83/24/77/647832477.db2.gz OYVIEQGOGXSNJK-GUDVDZBRSA-N 2 1 299.462 2.287 20 0 CEADMP C[NH+]1CC[C@@H]2CN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC000866584608 647832481 /nfs/dbraw/zinc/83/24/81/647832481.db2.gz OYVIEQGOGXSNJK-GUDVDZBRSA-N 2 1 299.462 2.287 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000866661207 647859214 /nfs/dbraw/zinc/85/92/14/647859214.db2.gz QDEBDNPUBTWZQO-OFQRWUPVSA-N 2 1 289.423 2.381 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000866661207 647859215 /nfs/dbraw/zinc/85/92/15/647859215.db2.gz QDEBDNPUBTWZQO-OFQRWUPVSA-N 2 1 289.423 2.381 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCC3CC3)C2)C1 ZINC000866667749 647862572 /nfs/dbraw/zinc/86/25/72/647862572.db2.gz XPFDSHYIOGCKFZ-XHSDSOJGSA-N 2 1 266.429 2.395 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](OC)CC[C@H]2C)cc1 ZINC000866685257 647868085 /nfs/dbraw/zinc/86/80/85/647868085.db2.gz GOFAMCKMSSNBFO-UNEWFSDZSA-N 2 1 292.423 2.237 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702577 647874666 /nfs/dbraw/zinc/87/46/66/647874666.db2.gz CUIXFKNHNHKGRG-GRDNDAEWSA-N 2 1 297.487 2.377 20 0 CEADMP COc1ccccc1[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000866703596 647875680 /nfs/dbraw/zinc/87/56/80/647875680.db2.gz MGTPDKCCXGDQQO-QGZVFWFLSA-N 2 1 290.407 2.068 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000866704443 647875853 /nfs/dbraw/zinc/87/58/53/647875853.db2.gz UKYFLKRIBXJOHJ-QGZVFWFLSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000866704443 647875860 /nfs/dbraw/zinc/87/58/60/647875860.db2.gz UKYFLKRIBXJOHJ-QGZVFWFLSA-N 2 1 295.471 2.132 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866704859 647877092 /nfs/dbraw/zinc/87/70/92/647877092.db2.gz YRHWFDBTCDJPFJ-HUUCEWRRSA-N 2 1 268.470 2.451 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@H]3[NH2+]CC[C@H]32)c1C ZINC000866725915 647884265 /nfs/dbraw/zinc/88/42/65/647884265.db2.gz RESHYUWRWWQNIK-UKRRQHHQSA-N 2 1 275.396 2.033 20 0 CEADMP CN1CC[N@@H+](CCCCCCC[NH3+])Cc2cccnc21 ZINC000866726932 647885147 /nfs/dbraw/zinc/88/51/47/647885147.db2.gz DVIQYQAJQLBZSG-UHFFFAOYSA-N 2 1 276.428 2.243 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)nc2C)C1 ZINC000785441544 647928817 /nfs/dbraw/zinc/92/88/17/647928817.db2.gz KPTYULJTCGKIBE-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)nc2C)C1 ZINC000785441544 647928820 /nfs/dbraw/zinc/92/88/20/647928820.db2.gz KPTYULJTCGKIBE-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP C[N@H+]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CCC1(C)C ZINC000868165454 648063840 /nfs/dbraw/zinc/06/38/40/648063840.db2.gz BFQASSDEHRZIDL-UHFFFAOYSA-N 2 1 290.411 2.093 20 0 CEADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@@H]1n1ccnc1 ZINC000788484632 648192795 /nfs/dbraw/zinc/19/27/95/648192795.db2.gz CKPFDKPISGFAHE-ZBFHGGJFSA-N 2 1 276.428 2.108 20 0 CEADMP CC1=CC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)CC1 ZINC000788594620 648205750 /nfs/dbraw/zinc/20/57/50/648205750.db2.gz NXVKHGUZZYTRPI-MRXNPFEDSA-N 2 1 265.445 2.102 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870867605 648937799 /nfs/dbraw/zinc/93/77/99/648937799.db2.gz SHSGFNHBZAYGRZ-OAGGEKHMSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870867989 648937855 /nfs/dbraw/zinc/93/78/55/648937855.db2.gz XEMJZYWCSRQYFL-OAGGEKHMSA-N 2 1 295.471 2.132 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH2+]CC1CC1 ZINC000870876672 648940549 /nfs/dbraw/zinc/94/05/49/648940549.db2.gz JWLKLLGWGZTFLX-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CC(C)[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000870954006 648960428 /nfs/dbraw/zinc/96/04/28/648960428.db2.gz AEHIGVDBUFRDGX-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)[C@H]1CCCOC1 ZINC000872025880 649244195 /nfs/dbraw/zinc/24/41/95/649244195.db2.gz VHNDBUJGLADYBX-KKUMJFAQSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CCOCC1 ZINC000872036379 649249369 /nfs/dbraw/zinc/24/93/69/649249369.db2.gz USIVCWAAKDISGH-LSDHHAIUSA-N 2 1 298.471 2.281 20 0 CEADMP C[NH+]1CCC([NH2+]C2CC(Nc3ccccc3)C2)CC1 ZINC000872132299 649287989 /nfs/dbraw/zinc/28/79/89/649287989.db2.gz GLDDYAPMRQFRIA-UHFFFAOYSA-N 2 1 259.397 2.313 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000872143138 649292226 /nfs/dbraw/zinc/29/22/26/649292226.db2.gz MRLPEWQGFAZRBQ-WCVJEAGWSA-N 2 1 266.429 2.123 20 0 CEADMP [NH3+][C@H]1CCCCC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872145598 649295873 /nfs/dbraw/zinc/29/58/73/649295873.db2.gz VHVZRSBGGROFSC-KBPBESRZSA-N 2 1 252.402 2.149 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872145598 649295876 /nfs/dbraw/zinc/29/58/76/649295876.db2.gz VHVZRSBGGROFSC-KBPBESRZSA-N 2 1 252.402 2.149 20 0 CEADMP CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)[nH]n1 ZINC000872146264 649296250 /nfs/dbraw/zinc/29/62/50/649296250.db2.gz JAXKGJJEALZNCI-UONOGXRCSA-N 2 1 276.428 2.322 20 0 CEADMP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000872146264 649296252 /nfs/dbraw/zinc/29/62/52/649296252.db2.gz JAXKGJJEALZNCI-UONOGXRCSA-N 2 1 276.428 2.322 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC000872150706 649297337 /nfs/dbraw/zinc/29/73/37/649297337.db2.gz ZZWWCIWAGLYXDW-FRRDWIJNSA-N 2 1 294.361 2.261 20 0 CEADMP CC1CCC(N(C)C(=O)C[N@@H+](C)CCCCCC[NH3+])CC1 ZINC000872155098 649298321 /nfs/dbraw/zinc/29/83/21/649298321.db2.gz LGVYANGQJRJCTQ-UHFFFAOYSA-N 2 1 297.487 2.474 20 0 CEADMP CN(CC1CCCCC1)C(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872155054 649298461 /nfs/dbraw/zinc/29/84/61/649298461.db2.gz AVVWYGNQYORKFV-UHFFFAOYSA-N 2 1 297.487 2.476 20 0 CEADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+](C)CCCCCC[NH3+] ZINC000872154810 649298599 /nfs/dbraw/zinc/29/85/99/649298599.db2.gz BEMUVGZJGWBRIU-HNNXBMFYSA-N 2 1 283.460 2.084 20 0 CEADMP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)CCCCCC[NH3+] ZINC000872154864 649298817 /nfs/dbraw/zinc/29/88/17/649298817.db2.gz CNZIPAWQZRMIER-XHSDSOJGSA-N 2 1 297.487 2.330 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])[C@@H]1CCc2ccccc2NC1=O ZINC000872155337 649299923 /nfs/dbraw/zinc/29/99/23/649299923.db2.gz JIJGUGXFQFPAJP-MRXNPFEDSA-N 2 1 289.423 2.391 20 0 CEADMP COCCOCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158915 649300569 /nfs/dbraw/zinc/30/05/69/649300569.db2.gz ZGSDQIWJKCOXFH-RDJZCZTQSA-N 2 1 298.471 2.269 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000872219375 649320431 /nfs/dbraw/zinc/32/04/31/649320431.db2.gz ZBABOYFERWQXQJ-FHLIZLRMSA-N 2 1 288.435 2.115 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CC12CCC2 ZINC000872251562 649328776 /nfs/dbraw/zinc/32/87/76/649328776.db2.gz OLNXDWUQGNZJOG-HOTGVXAUSA-N 2 1 274.408 2.012 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CC12CCC2 ZINC000872251562 649328780 /nfs/dbraw/zinc/32/87/80/649328780.db2.gz OLNXDWUQGNZJOG-HOTGVXAUSA-N 2 1 274.408 2.012 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872286302 649345080 /nfs/dbraw/zinc/34/50/80/649345080.db2.gz ZCPORKRQBPQGBF-XHSDSOJGSA-N 2 1 295.471 2.084 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000019440159 649358702 /nfs/dbraw/zinc/35/87/02/649358702.db2.gz XUXPRJZHKGWZDD-NSHDSACASA-N 2 1 258.287 2.486 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000019440159 649358705 /nfs/dbraw/zinc/35/87/05/649358705.db2.gz XUXPRJZHKGWZDD-NSHDSACASA-N 2 1 258.287 2.486 20 0 CEADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@H]1CCCC[C@@H]1O ZINC000873207068 649588741 /nfs/dbraw/zinc/58/87/41/649588741.db2.gz PTJZZPLALSTQAJ-DOMZBBRYSA-N 2 1 294.464 2.377 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](C2CC2)O1 ZINC000873209719 649591087 /nfs/dbraw/zinc/59/10/87/649591087.db2.gz SSRZGTIAAHIUMP-IAQYHMDHSA-N 2 1 292.448 2.393 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](C2CC2)O1 ZINC000873209719 649591089 /nfs/dbraw/zinc/59/10/89/649591089.db2.gz SSRZGTIAAHIUMP-IAQYHMDHSA-N 2 1 292.448 2.393 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000873223163 649596909 /nfs/dbraw/zinc/59/69/09/649596909.db2.gz IJTSCNLBKATPKA-ZFWWWQNUSA-N 2 1 254.418 2.110 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000873223650 649597984 /nfs/dbraw/zinc/59/79/84/649597984.db2.gz QKRHNZYEECKDAV-INIZCTEOSA-N 2 1 278.444 2.234 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC000873227159 649598485 /nfs/dbraw/zinc/59/84/85/649598485.db2.gz CPVUDDFBPHLVQP-XJKSGUPXSA-N 2 1 296.361 2.372 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC000873227159 649598487 /nfs/dbraw/zinc/59/84/87/649598487.db2.gz CPVUDDFBPHLVQP-XJKSGUPXSA-N 2 1 296.361 2.372 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)[C@H]1C ZINC000873237719 649604672 /nfs/dbraw/zinc/60/46/72/649604672.db2.gz TXZZIMDVOVRUIS-XQLPTFJDSA-N 2 1 296.455 2.332 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)[C@@H]1C ZINC000873237717 649604717 /nfs/dbraw/zinc/60/47/17/649604717.db2.gz TXZZIMDVOVRUIS-BARDWOONSA-N 2 1 296.455 2.332 20 0 CEADMP Nc1cc(F)cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000873290541 649628986 /nfs/dbraw/zinc/62/89/86/649628986.db2.gz RFXYIDRRMUYNJR-UHFFFAOYSA-N 2 1 263.360 2.124 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000878511020 651117217 /nfs/dbraw/zinc/11/72/17/651117217.db2.gz HBEZGWHOLMWJHR-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000878550058 651127651 /nfs/dbraw/zinc/12/76/51/651127651.db2.gz UOTJVBNHOAOZDM-LSDHHAIUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4nonc4c3)C2)CC1 ZINC000878863763 651199960 /nfs/dbraw/zinc/19/99/60/651199960.db2.gz FEQBEFVWNSKFGG-UHFFFAOYSA-N 2 1 286.379 2.141 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1)C(C)(C)C ZINC000878865816 651200263 /nfs/dbraw/zinc/20/02/63/651200263.db2.gz NMYQCEXWJMXEFA-UKRRQHHQSA-N 2 1 256.434 2.057 20 0 CEADMP COCC[N@@H+](CCOC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000879124800 651247115 /nfs/dbraw/zinc/24/71/15/651247115.db2.gz DIVQIZMHKZQOTP-UHFFFAOYSA-N 2 1 286.460 2.092 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000879406498 651298175 /nfs/dbraw/zinc/29/81/75/651298175.db2.gz OMKAZCWJYWGSML-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP COc1ccc(CC[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879570102 651323642 /nfs/dbraw/zinc/32/36/42/651323642.db2.gz AAHBDKYJKAXOJH-DOTOQJQBSA-N 2 1 274.408 2.264 20 0 CEADMP COc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000879570102 651323644 /nfs/dbraw/zinc/32/36/44/651323644.db2.gz AAHBDKYJKAXOJH-DOTOQJQBSA-N 2 1 274.408 2.264 20 0 CEADMP COc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000879570102 651323646 /nfs/dbraw/zinc/32/36/46/651323646.db2.gz AAHBDKYJKAXOJH-DOTOQJQBSA-N 2 1 274.408 2.264 20 0 CEADMP COc1cccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879578739 651325580 /nfs/dbraw/zinc/32/55/80/651325580.db2.gz VQIJKUNZFBKKMJ-WMLDXEAASA-N 2 1 290.407 2.100 20 0 CEADMP COc1cccc(OCC[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879578739 651325583 /nfs/dbraw/zinc/32/55/83/651325583.db2.gz VQIJKUNZFBKKMJ-WMLDXEAASA-N 2 1 290.407 2.100 20 0 CEADMP COc1cccc(OCC[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000879578739 651325584 /nfs/dbraw/zinc/32/55/84/651325584.db2.gz VQIJKUNZFBKKMJ-WMLDXEAASA-N 2 1 290.407 2.100 20 0 CEADMP COc1cccc(OCC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000879578739 651325586 /nfs/dbraw/zinc/32/55/86/651325586.db2.gz VQIJKUNZFBKKMJ-WMLDXEAASA-N 2 1 290.407 2.100 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000879581144 651326968 /nfs/dbraw/zinc/32/69/68/651326968.db2.gz XDQAKHNDLJBEFD-QAPCUYQASA-N 2 1 286.419 2.285 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000879581144 651326969 /nfs/dbraw/zinc/32/69/69/651326969.db2.gz XDQAKHNDLJBEFD-QAPCUYQASA-N 2 1 286.419 2.285 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000879581144 651326970 /nfs/dbraw/zinc/32/69/70/651326970.db2.gz XDQAKHNDLJBEFD-QAPCUYQASA-N 2 1 286.419 2.285 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000879581144 651326971 /nfs/dbraw/zinc/32/69/71/651326971.db2.gz XDQAKHNDLJBEFD-QAPCUYQASA-N 2 1 286.419 2.285 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000879581144 651326972 /nfs/dbraw/zinc/32/69/72/651326972.db2.gz XDQAKHNDLJBEFD-QAPCUYQASA-N 2 1 286.419 2.285 20 0 CEADMP CC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879948995 651363840 /nfs/dbraw/zinc/36/38/40/651363840.db2.gz PXPMFNINDKXDCG-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@@H]3[C@H]2CCC[NH+]3C)C1 ZINC000880143207 651391786 /nfs/dbraw/zinc/39/17/86/651391786.db2.gz ZXMKCNRJGNPUMA-YYIAUSFCSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC000880143207 651391789 /nfs/dbraw/zinc/39/17/89/651391789.db2.gz ZXMKCNRJGNPUMA-YYIAUSFCSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@@H]3[C@H]2CCC[N@H+]3C)C1 ZINC000880143207 651391790 /nfs/dbraw/zinc/39/17/90/651391790.db2.gz ZXMKCNRJGNPUMA-YYIAUSFCSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccncc2)CCN1c1cc[nH+]cc1 ZINC000880260580 651412274 /nfs/dbraw/zinc/41/22/74/651412274.db2.gz FAFUGEJWLZAFBP-CQSZACIVSA-N 2 1 268.364 2.187 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccncc2)CCN1c1cc[nH+]cc1 ZINC000880260580 651412275 /nfs/dbraw/zinc/41/22/75/651412275.db2.gz FAFUGEJWLZAFBP-CQSZACIVSA-N 2 1 268.364 2.187 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262665 651412711 /nfs/dbraw/zinc/41/27/11/651412711.db2.gz RPNQYTWBCDPUHA-ZDUSSCGKSA-N 2 1 299.422 2.143 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2nccs2)C1 ZINC000880319110 651423920 /nfs/dbraw/zinc/42/39/20/651423920.db2.gz AZJZVBBMWSEKNP-CHWSQXEVSA-N 2 1 265.426 2.417 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319110 651423921 /nfs/dbraw/zinc/42/39/21/651423921.db2.gz AZJZVBBMWSEKNP-CHWSQXEVSA-N 2 1 265.426 2.417 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319110 651423922 /nfs/dbraw/zinc/42/39/22/651423922.db2.gz AZJZVBBMWSEKNP-CHWSQXEVSA-N 2 1 265.426 2.417 20 0 CEADMP CC[N@@H+](CCCn1ccnc1)[C@H](CO)c1ccccc1 ZINC000880464271 651445710 /nfs/dbraw/zinc/44/57/10/651445710.db2.gz RJEVEKLCXYSIOE-MRXNPFEDSA-N 2 1 273.380 2.329 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC(=O)N1CCCC1 ZINC000880516982 651454220 /nfs/dbraw/zinc/45/42/20/651454220.db2.gz HEDCAKORKBMXOO-UHFFFAOYSA-N 2 1 295.471 2.197 20 0 CEADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2c(c1)COCC2 ZINC000882888341 652250929 /nfs/dbraw/zinc/25/09/29/652250929.db2.gz WVTVBZXWXLNDGJ-CQSZACIVSA-N 2 1 286.419 2.333 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2C=CCC2)s1 ZINC000883237590 652410697 /nfs/dbraw/zinc/41/06/97/652410697.db2.gz FXADCHXTGFOZDF-NSHDSACASA-N 2 1 251.399 2.261 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](COC)C2)[C@H](C)C1 ZINC000883320132 652432051 /nfs/dbraw/zinc/43/20/51/652432051.db2.gz BVBJQECWWBLZQH-WCXIOVBPSA-N 2 1 298.471 2.138 20 0 CEADMP CC[N@H+]1CC[C@@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000883354321 652439163 /nfs/dbraw/zinc/43/91/63/652439163.db2.gz RTGHGHWYZAKDTA-QGZVFWFLSA-N 2 1 279.472 2.467 20 0 CEADMP CCN1CC[C@@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000883354321 652439166 /nfs/dbraw/zinc/43/91/66/652439166.db2.gz RTGHGHWYZAKDTA-QGZVFWFLSA-N 2 1 279.472 2.467 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C2CCC3(COC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000883382882 652451003 /nfs/dbraw/zinc/45/10/03/652451003.db2.gz OUVISCCSNBJWKI-JYJNAYRXSA-N 2 1 278.440 2.408 20 0 CEADMP Cc1n[nH]cc1CN[C@@H](Cn1ccnc1)c1ccccc1 ZINC000883398090 652455516 /nfs/dbraw/zinc/45/55/16/652455516.db2.gz CSMHDYKEKKGZLF-INIZCTEOSA-N 2 1 281.363 2.446 20 0 CEADMP C[N@@H+](C[C@@H]1CCC2(CCOCC2)CO1)C1CCC([NH3+])CC1 ZINC000883417722 652462235 /nfs/dbraw/zinc/46/22/35/652462235.db2.gz LAWGSPVWIRVAQN-GPANFISMSA-N 2 1 296.455 2.164 20 0 CEADMP c1ccc([C@H]2CCC[C@@H](C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)O2)cc1 ZINC000883427438 652465909 /nfs/dbraw/zinc/46/59/09/652465909.db2.gz RHTLWDWNMATKNF-XWTMOSNGSA-N 2 1 286.419 2.448 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC[C@@H]1CCCC1(F)F)C2 ZINC000883440964 652471316 /nfs/dbraw/zinc/47/13/16/652471316.db2.gz DUHHRPCCFIXSRF-RWMBFGLXSA-N 2 1 258.356 2.353 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H]1CC[C@H](c3ccccc3)O1)C2 ZINC000883441483 652471569 /nfs/dbraw/zinc/47/15/69/652471569.db2.gz PPPDHAGQWIHGFK-BSDSXHPESA-N 2 1 286.419 2.448 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H]2CCC3(CCOCC3)O2)[C@H]1C ZINC000883445899 652472515 /nfs/dbraw/zinc/47/25/15/652472515.db2.gz PEXOMDUFZVWKNU-QKPAOTATSA-N 2 1 296.455 2.162 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H]2CCC3(CCOCC3)O2)[C@H]1C ZINC000883445899 652472517 /nfs/dbraw/zinc/47/25/17/652472517.db2.gz PEXOMDUFZVWKNU-QKPAOTATSA-N 2 1 296.455 2.162 20 0 CEADMP C[NH2+][C@@H](CC(C)C)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000884180217 652744209 /nfs/dbraw/zinc/74/42/09/652744209.db2.gz QFZICRNCLOOXLF-GJZGRUSLSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000884225390 652757591 /nfs/dbraw/zinc/75/75/91/652757591.db2.gz QHFGSNMMQCSVJA-JALIKCBVSA-N 2 1 295.471 2.127 20 0 CEADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000884394516 652832722 /nfs/dbraw/zinc/83/27/22/652832722.db2.gz HPOXDQGULUEEPP-UONOGXRCSA-N 2 1 297.487 2.233 20 0 CEADMP Cc1n[nH]c(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1C ZINC000885927705 653070290 /nfs/dbraw/zinc/07/02/90/653070290.db2.gz VWQGLNLFXIZYGO-GFCCVEGCSA-N 2 1 264.417 2.238 20 0 CEADMP CCCCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168029800 805822317 /nfs/dbraw/zinc/82/23/17/805822317.db2.gz KBEUFYWZZMQLEL-CVEARBPZSA-N 2 1 295.471 2.289 20 0 CEADMP CC(C)=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001271311177 805911646 /nfs/dbraw/zinc/91/16/46/805911646.db2.gz KMARXNZYMYPKMO-HZPDHXFCSA-N 2 1 295.471 2.025 20 0 CEADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC001168091996 806139748 /nfs/dbraw/zinc/13/97/48/806139748.db2.gz DOOXQFRGPCODPC-IHRRRGAJSA-N 2 1 254.418 2.406 20 0 CEADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC001168091996 806139755 /nfs/dbraw/zinc/13/97/55/806139755.db2.gz DOOXQFRGPCODPC-IHRRRGAJSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CCO1 ZINC001168093696 806150031 /nfs/dbraw/zinc/15/00/31/806150031.db2.gz WYQGBFGUMISRJX-UONOGXRCSA-N 3 1 285.476 2.029 20 0 CEADMP COc1ccc2c(c1)C[C@H]([N@@H+](CCC[NH3+])C(C)C)C2 ZINC001168230738 806424767 /nfs/dbraw/zinc/42/47/67/806424767.db2.gz MZMGNGVJPNBROY-OAHLLOKOSA-N 2 1 262.397 2.222 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C2 ZINC001168230589 806425074 /nfs/dbraw/zinc/42/50/74/806425074.db2.gz LRJDMFDFTKIVBR-RHSMWYFYSA-N 2 1 288.435 2.484 20 0 CEADMP COc1ccc2c(c1)C[C@H](n1c(C)c[nH+]c1CC[NH3+])C2 ZINC001168230099 806425207 /nfs/dbraw/zinc/42/52/07/806425207.db2.gz HOPRUGKLESJUHO-CQSZACIVSA-N 2 1 271.364 2.041 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)C2 ZINC001168235464 806426041 /nfs/dbraw/zinc/42/60/41/806426041.db2.gz JOKIOBVUJKDHJL-CVEARBPZSA-N 2 1 274.408 2.236 20 0 CEADMP C[NH+](C)C1CCC([NH2+]Cc2noc(C(F)(F)F)n2)CC1 ZINC001168297982 806635107 /nfs/dbraw/zinc/63/51/07/806635107.db2.gz SXXGBVHXLMUJSY-UHFFFAOYSA-N 2 1 292.305 2.051 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC001168319465 806651439 /nfs/dbraw/zinc/65/14/39/806651439.db2.gz UHINFCFFIDBNCB-UHFFFAOYSA-N 2 1 270.417 2.133 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)Cc2nccs2)CC1 ZINC001168327680 806657001 /nfs/dbraw/zinc/65/70/01/806657001.db2.gz RBYHIBGDPMETPN-UHFFFAOYSA-N 2 1 253.415 2.448 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC001168328163 806658809 /nfs/dbraw/zinc/65/88/09/806658809.db2.gz YARGSEXNPVGATM-RUXDESIVSA-N 2 1 254.418 2.095 20 0 CEADMP CC(=O)CC(C)(C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168362967 806746235 /nfs/dbraw/zinc/74/62/35/806746235.db2.gz NTFHCNABGNLGCC-UHFFFAOYSA-N 2 1 252.402 2.208 20 0 CEADMP CN1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C2(CCCC2)C1 ZINC001208115776 802341919 /nfs/dbraw/zinc/34/19/19/802341919.db2.gz NUYRAOZHPITURI-UHFFFAOYSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724468134 802350512 /nfs/dbraw/zinc/35/05/12/802350512.db2.gz GFGVVCQLUVWVFA-DGRATXKMSA-N 2 1 266.429 2.405 20 0 CEADMP CC(C)[N@H+](C[C@H]1CCC[NH+](C)C1)C1CCN(C)CC1 ZINC001208614407 802392166 /nfs/dbraw/zinc/39/21/66/802392166.db2.gz DGAUWBOKUXYOJT-HNNXBMFYSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[N@@H+](C[C@H]1CCC[NH+](C)C1)C1CCN(C)CC1 ZINC001208614407 802392170 /nfs/dbraw/zinc/39/21/70/802392170.db2.gz DGAUWBOKUXYOJT-HNNXBMFYSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[NH+](C[C@H]1CCC[N@H+](C)C1)C1CCN(C)CC1 ZINC001208614407 802392180 /nfs/dbraw/zinc/39/21/80/802392180.db2.gz DGAUWBOKUXYOJT-HNNXBMFYSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[NH+](C[C@H]1CCC[N@@H+](C)C1)C1CCN(C)CC1 ZINC001208614407 802392192 /nfs/dbraw/zinc/39/21/92/802392192.db2.gz DGAUWBOKUXYOJT-HNNXBMFYSA-N 2 1 267.461 2.133 20 0 CEADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665397 802505488 /nfs/dbraw/zinc/50/54/88/802505488.db2.gz BJUOZGKZEQNXJF-GDAAHCPNSA-N 3 1 299.462 2.191 20 0 CEADMP C[C@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665397 802505492 /nfs/dbraw/zinc/50/54/92/802505492.db2.gz BJUOZGKZEQNXJF-GDAAHCPNSA-N 3 1 299.462 2.191 20 0 CEADMP C[C@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665397 802505493 /nfs/dbraw/zinc/50/54/93/802505493.db2.gz BJUOZGKZEQNXJF-GDAAHCPNSA-N 3 1 299.462 2.191 20 0 CEADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665397 802505496 /nfs/dbraw/zinc/50/54/96/802505496.db2.gz BJUOZGKZEQNXJF-GDAAHCPNSA-N 2 1 299.462 2.191 20 0 CEADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665397 802505500 /nfs/dbraw/zinc/50/55/00/802505500.db2.gz BJUOZGKZEQNXJF-GDAAHCPNSA-N 2 1 299.462 2.191 20 0 CEADMP CCCC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001167224424 802589421 /nfs/dbraw/zinc/58/94/21/802589421.db2.gz JMMLDPPFQULEAR-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001266535065 802687217 /nfs/dbraw/zinc/68/72/17/802687217.db2.gz RKCWSGYRAPRERK-CGFBPQRUSA-N 2 1 293.455 2.018 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000721445208 802776651 /nfs/dbraw/zinc/77/66/51/802776651.db2.gz LXWMOCGSCLRECC-QJPTWQEYSA-N 2 1 280.334 2.157 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066634 807002416 /nfs/dbraw/zinc/00/24/16/807002416.db2.gz QYMBASAVAPULDX-CVEARBPZSA-N 2 1 297.487 2.247 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001266725764 802867784 /nfs/dbraw/zinc/86/77/84/802867784.db2.gz SWADNXRZVMFOOL-IYBDPMFKSA-N 2 1 293.455 2.065 20 0 CEADMP CCC[N@H+](Cc1oc(C)nc1C)C1CC[NH2+]CC1 ZINC000723642420 802914655 /nfs/dbraw/zinc/91/46/55/802914655.db2.gz VKCCEFIFKLRVBH-UHFFFAOYSA-N 2 1 251.374 2.255 20 0 CEADMP CCC[N@@H+](Cc1oc(C)nc1C)C1CC[NH2+]CC1 ZINC000723642420 802914659 /nfs/dbraw/zinc/91/46/59/802914659.db2.gz VKCCEFIFKLRVBH-UHFFFAOYSA-N 2 1 251.374 2.255 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000723679368 802923928 /nfs/dbraw/zinc/92/39/28/802923928.db2.gz AXRWJMGHLOSNSG-MRXNPFEDSA-N 2 1 284.407 2.102 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000723686892 802924786 /nfs/dbraw/zinc/92/47/86/802924786.db2.gz QFZWJIZMMBDGGX-AWEZNQCLSA-N 2 1 270.380 2.043 20 0 CEADMP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723695883 802925484 /nfs/dbraw/zinc/92/54/84/802925484.db2.gz PZMJOEHBEZEHEH-LBPRGKRZSA-N 2 1 295.814 2.258 20 0 CEADMP CCCc1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cs1 ZINC000723713932 802927754 /nfs/dbraw/zinc/92/77/54/802927754.db2.gz XQJIUUHQPVPWCA-LLVKDONJSA-N 2 1 253.415 2.266 20 0 CEADMP C[C@@H]1C[C@H](C)CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000723781163 802934707 /nfs/dbraw/zinc/93/47/07/802934707.db2.gz YKFQKHSIVLBHHA-GHMZBOCLSA-N 2 1 266.389 2.131 20 0 CEADMP Cc1cc(C)nc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000723878717 802959686 /nfs/dbraw/zinc/95/96/86/802959686.db2.gz FZZBOCFYLXBQPM-ZBFHGGJFSA-N 2 1 259.397 2.272 20 0 CEADMP Cc1cc(C)nc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000723878717 802959690 /nfs/dbraw/zinc/95/96/90/802959690.db2.gz FZZBOCFYLXBQPM-ZBFHGGJFSA-N 2 1 259.397 2.272 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2F)C[C@H]1CC[NH3+] ZINC000723884984 802964460 /nfs/dbraw/zinc/96/44/60/802964460.db2.gz WRQIVVNGNDRDEB-GHMZBOCLSA-N 2 1 254.324 2.382 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H]1CCCOC1 ZINC000723985276 802986086 /nfs/dbraw/zinc/98/60/86/802986086.db2.gz DYKWSLYGGYSQKP-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000403545244 803023609 /nfs/dbraw/zinc/02/36/09/803023609.db2.gz AJHRDSBQNLFRSF-AGUYFDCRSA-N 2 1 254.443 2.487 20 0 CEADMP CC/C=C\CC[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001267210781 803235279 /nfs/dbraw/zinc/23/52/79/803235279.db2.gz NBGDMVWVPBCVBS-SREVYHEPSA-N 2 1 295.471 2.265 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCc3nc(Cl)ccc3C2)CC1 ZINC001207398448 803487674 /nfs/dbraw/zinc/48/76/74/803487674.db2.gz QWLSDESAYQEQNN-UHFFFAOYSA-N 2 1 279.815 2.435 20 0 CEADMP [NH3+]CCCO[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001217914167 803499015 /nfs/dbraw/zinc/49/90/15/803499015.db2.gz XHRLQCVMGUGDPC-AWEZNQCLSA-N 2 1 266.360 2.156 20 0 CEADMP CC/C=C/CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001267590541 803576713 /nfs/dbraw/zinc/57/67/13/803576713.db2.gz WPZIMCLRJISZSD-MOEXGYKKSA-N 2 1 295.471 2.075 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(N)c1 ZINC001140901420 803601738 /nfs/dbraw/zinc/60/17/38/803601738.db2.gz JHKZGJXHZCLACH-UHFFFAOYSA-N 2 1 279.428 2.441 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCC[C@@]1(O)C(F)(F)F ZINC001207436499 803609150 /nfs/dbraw/zinc/60/91/50/803609150.db2.gz KPNDCJDFSHBQKS-YPMHNXCESA-N 2 1 294.361 2.011 20 0 CEADMP CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207440680 803617365 /nfs/dbraw/zinc/61/73/65/803617365.db2.gz CIIWYYUGNYUNCQ-CQSZACIVSA-N 2 1 282.428 2.182 20 0 CEADMP Cc1c[nH]nc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000715399639 814953447 /nfs/dbraw/zinc/95/34/47/814953447.db2.gz MBWGJJREEQPKGF-BXUZGUMPSA-N 2 1 250.390 2.058 20 0 CEADMP Cc1cn[nH]c1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000715399639 814953450 /nfs/dbraw/zinc/95/34/50/814953450.db2.gz MBWGJJREEQPKGF-BXUZGUMPSA-N 2 1 250.390 2.058 20 0 CEADMP Cc1cn[nH]c1C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000715399639 814953453 /nfs/dbraw/zinc/95/34/53/814953453.db2.gz MBWGJJREEQPKGF-BXUZGUMPSA-N 2 1 250.390 2.058 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715479173 814958654 /nfs/dbraw/zinc/95/86/54/814958654.db2.gz GFNSQNBMTMLFJT-ZGKBOVNRSA-N 2 1 252.402 2.003 20 0 CEADMP CC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267776369 803728352 /nfs/dbraw/zinc/72/83/52/803728352.db2.gz JXRJIFWJSRIBMT-FHQWLQQXSA-N 2 1 295.471 2.216 20 0 CEADMP C[C@@H]1CC[N@@H+](CCC2CC[NH+](C)CC2)CCC1=O ZINC001207479984 803736374 /nfs/dbraw/zinc/73/63/74/803736374.db2.gz RFQWBOMFIOKFJG-CYBMUJFWSA-N 2 1 252.402 2.019 20 0 CEADMP FC(F)(F)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000709284579 803805638 /nfs/dbraw/zinc/80/56/38/803805638.db2.gz FSLGPVMPLMXYQC-FOSCPWQOSA-N 2 1 285.313 2.473 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000709329383 803822264 /nfs/dbraw/zinc/82/22/64/803822264.db2.gz HAODIGAUTVNNHB-NJAFHUGGSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC[NH2+]1 ZINC000709329383 803822273 /nfs/dbraw/zinc/82/22/73/803822273.db2.gz HAODIGAUTVNNHB-NJAFHUGGSA-N 2 1 287.451 2.381 20 0 CEADMP CCCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267933966 803830034 /nfs/dbraw/zinc/83/00/34/803830034.db2.gz OORHGBRQUOZEIK-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)CC1CC[NH+](C)CC1 ZINC000123972870 803883234 /nfs/dbraw/zinc/88/32/34/803883234.db2.gz PMCLCBCYFWWOLR-UHFFFAOYSA-N 3 1 287.451 2.106 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000715541103 814973706 /nfs/dbraw/zinc/97/37/06/814973706.db2.gz FNCYNYUSVPTCER-STQMWFEESA-N 2 1 266.360 2.494 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1c(Cl)cccc1N(C)C ZINC001118020800 814976583 /nfs/dbraw/zinc/97/65/83/814976583.db2.gz YZYBCOIMBVJSEU-NSHDSACASA-N 2 1 269.820 2.351 20 0 CEADMP CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001027601611 804146982 /nfs/dbraw/zinc/14/69/82/804146982.db2.gz FQEHWPHMIBXTJC-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP OCCCCCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692873895 804285332 /nfs/dbraw/zinc/28/53/32/804285332.db2.gz SJXAAOQLSYHYOO-MRXNPFEDSA-N 2 1 268.445 2.251 20 0 CEADMP CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268086980 804399195 /nfs/dbraw/zinc/39/91/95/804399195.db2.gz NQNYWIVKLKORPU-JKSUJKDBSA-N 2 1 297.487 2.486 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001167835905 804428740 /nfs/dbraw/zinc/42/87/40/804428740.db2.gz VVTYSNZOHWTXDL-CVEARBPZSA-N 2 1 293.459 2.426 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1C(C)C ZINC001038908370 804515862 /nfs/dbraw/zinc/51/58/62/804515862.db2.gz JBYJLJFJGMXBNO-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1C(C)C ZINC001038908370 804515870 /nfs/dbraw/zinc/51/58/70/804515870.db2.gz JBYJLJFJGMXBNO-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1C(C)C ZINC001038908370 804515876 /nfs/dbraw/zinc/51/58/76/804515876.db2.gz JBYJLJFJGMXBNO-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP OCC[N@H+](Cc1cccs1)C1CC[NH+](CC2CC2)CC1 ZINC001168378940 807023051 /nfs/dbraw/zinc/02/30/51/807023051.db2.gz AHBHIILCQZHOKI-UHFFFAOYSA-N 2 1 294.464 2.417 20 0 CEADMP OCC[N@@H+](Cc1cccs1)C1CC[NH+](CC2CC2)CC1 ZINC001168378940 807023059 /nfs/dbraw/zinc/02/30/59/807023059.db2.gz AHBHIILCQZHOKI-UHFFFAOYSA-N 2 1 294.464 2.417 20 0 CEADMP CC/C=C/CCN1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001268326611 804611650 /nfs/dbraw/zinc/61/16/50/804611650.db2.gz GLTZLBCGSJTUOP-DWTRPJMMSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[NH+]1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001268326611 804611656 /nfs/dbraw/zinc/61/16/56/804611656.db2.gz GLTZLBCGSJTUOP-DWTRPJMMSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[NH+]1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001268326611 804611660 /nfs/dbraw/zinc/61/16/60/804611660.db2.gz GLTZLBCGSJTUOP-DWTRPJMMSA-N 2 1 293.455 2.018 20 0 CEADMP COC(OC)c1ccccc1NC(=[NH2+])SCC[NH3+] ZINC001167914637 804698590 /nfs/dbraw/zinc/69/85/90/804698590.db2.gz NSGGMXONZWRKBQ-UHFFFAOYSA-N 2 1 269.370 2.017 20 0 CEADMP N[C@H](Cc1ccccc1)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727714 804869146 /nfs/dbraw/zinc/86/91/46/804869146.db2.gz LDTKMHAMFFDVBN-QGZVFWFLSA-N 2 1 287.451 2.022 20 0 CEADMP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727714 804869153 /nfs/dbraw/zinc/86/91/53/804869153.db2.gz LDTKMHAMFFDVBN-QGZVFWFLSA-N 3 1 287.451 2.022 20 0 CEADMP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727714 804869162 /nfs/dbraw/zinc/86/91/62/804869162.db2.gz LDTKMHAMFFDVBN-QGZVFWFLSA-N 3 1 287.451 2.022 20 0 CEADMP [NH3+][C@H](Cc1ccccc1)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001204727714 804869170 /nfs/dbraw/zinc/86/91/70/804869170.db2.gz LDTKMHAMFFDVBN-QGZVFWFLSA-N 2 1 287.451 2.022 20 0 CEADMP C[N@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CCCC(C)(C)C)C1 ZINC001268625712 804895471 /nfs/dbraw/zinc/89/54/71/804895471.db2.gz JYLHKBXVBFHFAH-NFAHFFEMSA-N 2 1 295.471 2.026 20 0 CEADMP COC(=O)C[C@@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387317 807041481 /nfs/dbraw/zinc/04/14/81/807041481.db2.gz CSZMYOVTVHUDRM-HNNXBMFYSA-N 2 1 294.439 2.136 20 0 CEADMP CCCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001269838683 805264741 /nfs/dbraw/zinc/26/47/41/805264741.db2.gz IDPJNRYSYWDVED-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CC/C=C/CC[NH+]1CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269881764 805276001 /nfs/dbraw/zinc/27/60/01/805276001.db2.gz OTOCVQQHYBOWHD-ROJDOSBLSA-N 2 1 295.471 2.072 20 0 CEADMP [NH3+][C@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167962417 805396120 /nfs/dbraw/zinc/39/61/20/805396120.db2.gz XRXBIGMLJRYGMX-BFZKSOEOSA-N 2 1 277.456 2.251 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167962417 805396129 /nfs/dbraw/zinc/39/61/29/805396129.db2.gz XRXBIGMLJRYGMX-BFZKSOEOSA-N 3 1 277.456 2.251 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167962417 805396131 /nfs/dbraw/zinc/39/61/31/805396131.db2.gz XRXBIGMLJRYGMX-BFZKSOEOSA-N 3 1 277.456 2.251 20 0 CEADMP CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001029099839 805527057 /nfs/dbraw/zinc/52/70/57/805527057.db2.gz WYDCSKFULGFZEJ-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127081952 807013063 /nfs/dbraw/zinc/01/30/63/807013063.db2.gz HJGCHBCHAYQSAN-OAHLLOKOSA-N 2 1 283.460 2.145 20 0 CEADMP CO[C@@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001168396752 807076084 /nfs/dbraw/zinc/07/60/84/807076084.db2.gz IQLDGLDEYIBVDP-CZUORRHYSA-N 2 1 266.429 2.360 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716300946 815111083 /nfs/dbraw/zinc/11/10/83/815111083.db2.gz JOTMBOUUJMPXOD-UONOGXRCSA-N 2 1 252.402 2.006 20 0 CEADMP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(N3CCCCC3)n2)CC1 ZINC001205123699 807714893 /nfs/dbraw/zinc/71/48/93/807714893.db2.gz FGSIVJCGKIAMAM-OAHLLOKOSA-N 2 1 288.439 2.385 20 0 CEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(N3CCCCC3)n2)CC1 ZINC001205123699 807714900 /nfs/dbraw/zinc/71/49/00/807714900.db2.gz FGSIVJCGKIAMAM-OAHLLOKOSA-N 2 1 288.439 2.385 20 0 CEADMP CC[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000699529092 807739316 /nfs/dbraw/zinc/73/93/16/807739316.db2.gz RZGZETDCXHCHJD-QGZVFWFLSA-N 2 1 276.424 2.274 20 0 CEADMP CC[N@H+](Cc1ccc(C)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000699529092 807739322 /nfs/dbraw/zinc/73/93/22/807739322.db2.gz RZGZETDCXHCHJD-QGZVFWFLSA-N 2 1 276.424 2.274 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc2c1OCC2 ZINC000699625236 807783411 /nfs/dbraw/zinc/78/34/11/807783411.db2.gz XHHROPGASGIJPR-UHFFFAOYSA-N 2 1 271.364 2.306 20 0 CEADMP CCOc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1C ZINC001205151346 807829487 /nfs/dbraw/zinc/82/94/87/807829487.db2.gz SVOQNJAIXNLBGR-DZGCQCFKSA-N 2 1 262.397 2.420 20 0 CEADMP Cc1cc(OC(C)C)ncc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205151626 807830044 /nfs/dbraw/zinc/83/00/44/807830044.db2.gz XNCJTDCNHUZRDI-UONOGXRCSA-N 2 1 277.412 2.204 20 0 CEADMP [NH3+][C@@]12CC[C@H]1C[N@H+](CCc1ccc(Cl)cc1)C2 ZINC001235977970 807903594 /nfs/dbraw/zinc/90/35/94/807903594.db2.gz ICVSJBRNTRABEI-GXTWGEPZSA-N 2 1 250.773 2.306 20 0 CEADMP [NH3+][C@@]12CC[C@H]1C[N@@H+](CCc1ccc(Cl)cc1)C2 ZINC001235977970 807903602 /nfs/dbraw/zinc/90/36/02/807903602.db2.gz ICVSJBRNTRABEI-GXTWGEPZSA-N 2 1 250.773 2.306 20 0 CEADMP Nc1ccc2c(c1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC001236107449 807978412 /nfs/dbraw/zinc/97/84/12/807978412.db2.gz WXBFYDNMSOWWDD-ZDUSSCGKSA-N 2 1 259.397 2.017 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1O ZINC001236321215 808068369 /nfs/dbraw/zinc/06/83/69/808068369.db2.gz YUXYIZQZTHZPCX-GASCZTMLSA-N 2 1 260.381 2.132 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(C)C)[C@H](C)C1 ZINC001106903876 808085009 /nfs/dbraw/zinc/08/50/09/808085009.db2.gz OJUBYPJIRDVREP-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]CC=C(C)C ZINC001127675958 808185979 /nfs/dbraw/zinc/18/59/79/808185979.db2.gz WTBYXICCFUAZAU-AWEZNQCLSA-N 2 1 292.427 2.069 20 0 CEADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171545238 815187340 /nfs/dbraw/zinc/18/73/40/815187340.db2.gz BVLOAOGUJRHNNR-CABCVRRESA-N 2 1 283.460 2.144 20 0 CEADMP CC(C)CCCC[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001120026777 815189911 /nfs/dbraw/zinc/18/99/11/815189911.db2.gz JPLGLMTWWKXKBC-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)CCCC[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001120026777 815189913 /nfs/dbraw/zinc/18/99/13/815189913.db2.gz JPLGLMTWWKXKBC-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1C ZINC001120037713 815190592 /nfs/dbraw/zinc/19/05/92/815190592.db2.gz KBJCFXFJLBSIKW-UHFFFAOYSA-N 2 1 290.407 2.357 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C(C)C)C1 ZINC001032119550 808294065 /nfs/dbraw/zinc/29/40/65/808294065.db2.gz UBCSZIHYEASRDS-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H]3COC[C@@H]3C2)CC1(C)C ZINC001171632188 815201881 /nfs/dbraw/zinc/20/18/81/815201881.db2.gz WKFDQYHYBZSHIN-BETUJISGSA-N 2 1 266.429 2.216 20 0 CEADMP CC[N@H+]1CC[C@@H](NC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171627336 815206978 /nfs/dbraw/zinc/20/69/78/815206978.db2.gz QAORCJICLMHKDV-CYBMUJFWSA-N 2 1 267.461 2.322 20 0 CEADMP CCN1CC[C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171627336 815206982 /nfs/dbraw/zinc/20/69/82/815206982.db2.gz QAORCJICLMHKDV-CYBMUJFWSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC23CCCC3)CC[N@@H+]1C ZINC001120249143 815207001 /nfs/dbraw/zinc/20/70/01/815207001.db2.gz GDWCIICNAPNGTN-HZSPNIEDSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC23CCCC3)CC[N@H+]1C ZINC001120249143 815207006 /nfs/dbraw/zinc/20/70/06/815207006.db2.gz GDWCIICNAPNGTN-HZSPNIEDSA-N 2 1 252.402 2.160 20 0 CEADMP CCOC(=O)C1C[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171639479 815213823 /nfs/dbraw/zinc/21/38/23/815213823.db2.gz LPGRHHYFIHOAHZ-UHFFFAOYSA-N 2 1 282.428 2.133 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)ccc2F)CC1 ZINC001205210491 808562696 /nfs/dbraw/zinc/56/26/96/808562696.db2.gz OJUVTRAOCYAJHU-CQSZACIVSA-N 2 1 286.778 2.155 20 0 CEADMP C[C@H]1C[C@H](n2ccc(C[NH3+])cc2=N)C[N@H+]1Cc1ccccc1 ZINC001171725860 815218721 /nfs/dbraw/zinc/21/87/21/815218721.db2.gz OHHVEXSCENBVKE-YOEHRIQHSA-N 2 1 296.418 2.262 20 0 CEADMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@H](O)c1ccccc1 ZINC001120467229 815225702 /nfs/dbraw/zinc/22/57/02/815225702.db2.gz JLTRCOLTBKKYOL-HNNXBMFYSA-N 2 1 273.380 2.330 20 0 CEADMP C[C@@H]1C[C@@H](n2ncc3c2CC[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC001171753889 815226059 /nfs/dbraw/zinc/22/60/59/815226059.db2.gz YJANLDXVMLTUBH-RHSMWYFYSA-N 2 1 296.418 2.364 20 0 CEADMP CCC1(Nc2ccc([C@@H]3CCCC[N@H+]3C)cn2)C[NH2+]C1 ZINC001168584125 808671292 /nfs/dbraw/zinc/67/12/92/808671292.db2.gz XXSBAUQMMBLYJT-AWEZNQCLSA-N 2 1 274.412 2.402 20 0 CEADMP C[C@H]1C[C@H](N2CC[NH+]3CCC2CC3)C[N@H+]1Cc1ccccc1 ZINC001171760298 815226920 /nfs/dbraw/zinc/22/69/20/815226920.db2.gz SYDFNFPIPSUWQT-LPHOPBHVSA-N 2 1 299.462 2.429 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001171762386 815227730 /nfs/dbraw/zinc/22/77/30/815227730.db2.gz BXNHTJGZQXWWMX-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP C[C@@H]1C[C@H](N2CC[NH+]3CC[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171767310 815228257 /nfs/dbraw/zinc/22/82/57/815228257.db2.gz MWYCRIKSQQACAQ-NXHRZFHOSA-N 2 1 285.435 2.039 20 0 CEADMP C[C@@H]1C[C@H](N2CC[N@@H+]3CC[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171767310 815228261 /nfs/dbraw/zinc/22/82/61/815228261.db2.gz MWYCRIKSQQACAQ-NXHRZFHOSA-N 2 1 285.435 2.039 20 0 CEADMP C[C@@H]1C[C@H](N2CC[N@H+]3CC[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171767310 815228264 /nfs/dbraw/zinc/22/82/64/815228264.db2.gz MWYCRIKSQQACAQ-NXHRZFHOSA-N 2 1 285.435 2.039 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC1CCCCC1 ZINC001171769678 815230103 /nfs/dbraw/zinc/23/01/03/815230103.db2.gz DDXGJURPIMAVKQ-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP [NH3+]CCCc1[nH+]ccn1[C@H]1Cc2cccc(F)c2C1 ZINC001171790577 815236908 /nfs/dbraw/zinc/23/69/08/815236908.db2.gz OCFZAVNNUFEISB-LBPRGKRZSA-N 2 1 259.328 2.253 20 0 CEADMP CC1(C)C[C@@H](N[C@@H]2C[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171984249 815265914 /nfs/dbraw/zinc/26/59/14/815265914.db2.gz UGBRUFOQQSHXLQ-ARFHVFGLSA-N 2 1 273.424 2.119 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(CC[NH3+])Cc1ccccc1)C2 ZINC001172101031 815279314 /nfs/dbraw/zinc/27/93/14/815279314.db2.gz VXZDGTDUZDEDGB-PIIMJCKOSA-N 2 1 287.451 2.463 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1CCOCC1)C2 ZINC001172101222 815280816 /nfs/dbraw/zinc/28/08/16/815280816.db2.gz XCOHZNJRCXHJNG-QKDCVEJESA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)c1cnc(C[N@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000700796032 809347857 /nfs/dbraw/zinc/34/78/57/809347857.db2.gz XBBVOJAPHXTISX-GFCCVEGCSA-N 2 1 251.374 2.359 20 0 CEADMP COc1ccccc1CCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156387 815283087 /nfs/dbraw/zinc/28/30/87/815283087.db2.gz QJBHCAMANQFZIF-LSDHHAIUSA-N 2 1 280.387 2.389 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156387 815283091 /nfs/dbraw/zinc/28/30/91/815283091.db2.gz QJBHCAMANQFZIF-LSDHHAIUSA-N 2 1 280.387 2.389 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccccn1)C2 ZINC001172100593 815284701 /nfs/dbraw/zinc/28/47/01/815284701.db2.gz QGIWFRZCNCMGCX-MUJYYYPQSA-N 2 1 259.397 2.229 20 0 CEADMP OCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063765 815284809 /nfs/dbraw/zinc/28/48/09/815284809.db2.gz CHXDFGCOFZXSFR-OSYLJGHBSA-N 2 1 274.408 2.154 20 0 CEADMP COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129919 815289322 /nfs/dbraw/zinc/28/93/22/815289322.db2.gz FFPWPTYPJNJPGC-LGFJLYTPSA-N 2 1 292.423 2.028 20 0 CEADMP COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129919 815289327 /nfs/dbraw/zinc/28/93/27/815289327.db2.gz FFPWPTYPJNJPGC-LGFJLYTPSA-N 2 1 292.423 2.028 20 0 CEADMP COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129919 815289329 /nfs/dbraw/zinc/28/93/29/815289329.db2.gz FFPWPTYPJNJPGC-LGFJLYTPSA-N 2 1 292.423 2.028 20 0 CEADMP COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129919 815289333 /nfs/dbraw/zinc/28/93/33/815289333.db2.gz FFPWPTYPJNJPGC-LGFJLYTPSA-N 2 1 292.423 2.028 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](C)CC(C)C ZINC001128783570 809456830 /nfs/dbraw/zinc/45/68/30/809456830.db2.gz ICUGEWVZHJKZRB-JKSUJKDBSA-N 2 1 297.487 2.249 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)CO1 ZINC001172131286 815290385 /nfs/dbraw/zinc/29/03/85/815290385.db2.gz VUYSHKPCFMXZPI-XPABHHOTSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)CO1 ZINC001172131286 815290387 /nfs/dbraw/zinc/29/03/87/815290387.db2.gz VUYSHKPCFMXZPI-XPABHHOTSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)CO1 ZINC001172131286 815290390 /nfs/dbraw/zinc/29/03/90/815290390.db2.gz VUYSHKPCFMXZPI-XPABHHOTSA-N 2 1 252.402 2.111 20 0 CEADMP CCCC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033941563 809462586 /nfs/dbraw/zinc/46/25/86/809462586.db2.gz PSUJYFLTWNVQAO-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCC1CCC1 ZINC001128786774 809462631 /nfs/dbraw/zinc/46/26/31/809462631.db2.gz VXVMJRIEAOWITK-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000702049810 809490322 /nfs/dbraw/zinc/49/03/22/809490322.db2.gz SFMIXRMQLXJTHD-SOUVJXGZSA-N 2 1 264.413 2.020 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOC(F)(F)F)C2 ZINC001172104196 815294354 /nfs/dbraw/zinc/29/43/54/815294354.db2.gz DKXWTQFPVMJMQC-RTCCRHLQSA-N 2 1 266.307 2.128 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC[NH+](C3CC3)CC1)C2 ZINC001172106944 815296376 /nfs/dbraw/zinc/29/63/76/815296376.db2.gz QVAORODMOVMXAS-XGBSXSJOSA-N 2 1 277.456 2.218 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cnn(C)c1 ZINC001172105474 815296787 /nfs/dbraw/zinc/29/67/87/815296787.db2.gz IMSSLSSCRXPBRO-CYUUQNCZSA-N 2 1 262.401 2.086 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](C(C)C)C2)CC[N@H+]1C ZINC001034217021 809554330 /nfs/dbraw/zinc/55/43/30/809554330.db2.gz OBQMERIASUSSFM-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](C(C)C)C2)CC[NH+]1C ZINC001034217021 809554335 /nfs/dbraw/zinc/55/43/35/809554335.db2.gz OBQMERIASUSSFM-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](C(C)C)C2)CC[NH+]1C ZINC001034217021 809554341 /nfs/dbraw/zinc/55/43/41/809554341.db2.gz OBQMERIASUSSFM-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034248609 809559580 /nfs/dbraw/zinc/55/95/80/809559580.db2.gz DWUQJDQRICKBOB-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034248609 809559585 /nfs/dbraw/zinc/55/95/85/809559585.db2.gz DWUQJDQRICKBOB-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034248609 809559590 /nfs/dbraw/zinc/55/95/90/809559590.db2.gz DWUQJDQRICKBOB-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CCC(C)(C(=O)OC)CC2)CC1 ZINC001168754189 809572189 /nfs/dbraw/zinc/57/21/89/809572189.db2.gz IDTMMLMPXCHNTP-UHFFFAOYSA-N 2 1 282.428 2.182 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cnn3ccccc13)C2 ZINC001172115071 815301982 /nfs/dbraw/zinc/30/19/82/815301982.db2.gz UENXVCWXXPGHCV-MUJYYYPQSA-N 2 1 284.407 2.439 20 0 CEADMP CCCC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034396497 809600229 /nfs/dbraw/zinc/60/02/29/809600229.db2.gz GUWVKHWMAHRVRK-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034396497 809600232 /nfs/dbraw/zinc/60/02/32/809600232.db2.gz GUWVKHWMAHRVRK-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034396497 809600237 /nfs/dbraw/zinc/60/02/37/809600237.db2.gz GUWVKHWMAHRVRK-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000703010176 809610666 /nfs/dbraw/zinc/61/06/66/809610666.db2.gz LRYZOJSFZZLLAB-WLYUNCDWSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCCO1 ZINC001172115713 815302860 /nfs/dbraw/zinc/30/28/60/815302860.db2.gz ZERUKLMCWPADIJ-BYNSBNAKSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCCO1 ZINC001172115713 815302868 /nfs/dbraw/zinc/30/28/68/815302868.db2.gz ZERUKLMCWPADIJ-BYNSBNAKSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCCO1 ZINC001172115713 815302875 /nfs/dbraw/zinc/30/28/75/815302875.db2.gz ZERUKLMCWPADIJ-BYNSBNAKSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC001172115713 815302882 /nfs/dbraw/zinc/30/28/82/815302882.db2.gz ZERUKLMCWPADIJ-BYNSBNAKSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@](F)(CO)CC1)C2 ZINC001172116670 815305410 /nfs/dbraw/zinc/30/54/10/815305410.db2.gz BRFWLRMOEYIVFW-JJXSEGSLSA-N 2 1 284.419 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@](F)(CO)CC1)C2 ZINC001172116670 815305417 /nfs/dbraw/zinc/30/54/17/815305417.db2.gz BRFWLRMOEYIVFW-JJXSEGSLSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@](F)(CO)CC1)C2 ZINC001172116670 815305424 /nfs/dbraw/zinc/30/54/24/815305424.db2.gz BRFWLRMOEYIVFW-JJXSEGSLSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@](F)(CO)CC1)C2 ZINC001172116670 815305431 /nfs/dbraw/zinc/30/54/31/815305431.db2.gz BRFWLRMOEYIVFW-JJXSEGSLSA-N 2 1 284.419 2.188 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C(C)C)CC1 ZINC001034795401 809695903 /nfs/dbraw/zinc/69/59/03/809695903.db2.gz BSEFCCAOUOVJTO-JYJNAYRXSA-N 2 1 295.471 2.286 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172119276 815310771 /nfs/dbraw/zinc/31/07/71/815310771.db2.gz XTNXSIGWVSJLBJ-SIRPWMCASA-N 2 1 279.472 2.464 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001172119276 815310777 /nfs/dbraw/zinc/31/07/77/815310777.db2.gz XTNXSIGWVSJLBJ-SIRPWMCASA-N 2 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172119276 815310783 /nfs/dbraw/zinc/31/07/83/815310783.db2.gz XTNXSIGWVSJLBJ-SIRPWMCASA-N 3 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172119276 815310788 /nfs/dbraw/zinc/31/07/88/815310788.db2.gz XTNXSIGWVSJLBJ-SIRPWMCASA-N 3 1 279.472 2.464 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC ZINC001035102111 809742264 /nfs/dbraw/zinc/74/22/64/809742264.db2.gz SLNHLVIJASDEDQ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@H+](CC[NH2+]C1CCC(C)(O)CC1)C1CCCC1 ZINC000705466593 809781562 /nfs/dbraw/zinc/78/15/62/809781562.db2.gz HMAMRNLDEVUYKQ-UHFFFAOYSA-N 2 1 254.418 2.144 20 0 CEADMP C[N@@H+](CC[NH2+]C1CCC(C)(O)CC1)C1CCCC1 ZINC000705466593 809781568 /nfs/dbraw/zinc/78/15/68/809781568.db2.gz HMAMRNLDEVUYKQ-UHFFFAOYSA-N 2 1 254.418 2.144 20 0 CEADMP CC(C)(C)[C@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000708928864 809938255 /nfs/dbraw/zinc/93/82/55/809938255.db2.gz YFEBABXDTFPQBE-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(C)[C@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000708928864 809938256 /nfs/dbraw/zinc/93/82/56/809938256.db2.gz YFEBABXDTFPQBE-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CC(C)(C)OC1(C)C ZINC000709689185 809952674 /nfs/dbraw/zinc/95/26/74/809952674.db2.gz UWNLTQXFIGBGFR-UPJWGTAASA-N 2 1 254.418 2.392 20 0 CEADMP FC1(F)CC[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000709809818 809970523 /nfs/dbraw/zinc/97/05/23/809970523.db2.gz UAHUPTRYYNTWBY-CHWSQXEVSA-N 2 1 258.356 2.497 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@@H](c3nccs3)C2)CCC[NH2+]C1 ZINC000710498197 809989629 /nfs/dbraw/zinc/98/96/29/809989629.db2.gz HKZYRDTZMWJVRZ-OCCSQVGLSA-N 2 1 265.426 2.322 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172228569 815342888 /nfs/dbraw/zinc/34/28/88/815342888.db2.gz MALRONJZSGCOQO-DJSILETISA-N 2 1 278.440 2.430 20 0 CEADMP CCc1onc(C)c1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000923383916 810090444 /nfs/dbraw/zinc/09/04/44/810090444.db2.gz YYLHTVMPVMPIDW-GVXVVHGQSA-N 2 1 265.401 2.351 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001014966835 810248616 /nfs/dbraw/zinc/24/86/16/810248616.db2.gz ZCUWZZREPSZGNJ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001014966835 810248626 /nfs/dbraw/zinc/24/86/26/810248626.db2.gz ZCUWZZREPSZGNJ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001014966835 810248633 /nfs/dbraw/zinc/24/86/33/810248633.db2.gz ZCUWZZREPSZGNJ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001014966835 810248636 /nfs/dbraw/zinc/24/86/36/810248636.db2.gz ZCUWZZREPSZGNJ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP COCCC[NH+]1CCC([NH2+]C(C)(C)c2cccnc2)CC1 ZINC001172243799 815355564 /nfs/dbraw/zinc/35/55/64/815355564.db2.gz SLRQQIQXIMGWTH-UHFFFAOYSA-N 2 1 291.439 2.407 20 0 CEADMP COCCC[NH+]1CCC([NH+]2CCC(F)(F)CC2)CC1 ZINC001172249888 815358993 /nfs/dbraw/zinc/35/89/93/815358993.db2.gz OXUXJQMPRDOPKD-UHFFFAOYSA-N 2 1 276.371 2.218 20 0 CEADMP Cn1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c2ccccc21 ZINC001206163334 815362157 /nfs/dbraw/zinc/36/21/57/815362157.db2.gz BPYGVYJRFMXILM-GJZGRUSLSA-N 2 1 275.371 2.440 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c2ccccc21 ZINC001206163334 815362164 /nfs/dbraw/zinc/36/21/64/815362164.db2.gz BPYGVYJRFMXILM-GJZGRUSLSA-N 2 1 275.371 2.440 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001017179247 810495666 /nfs/dbraw/zinc/49/56/66/810495666.db2.gz GUAWERKXGLCHIF-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1ccc(CNc2nc(N)cc(C)[nH+]2)c(N2CCCC2)[nH+]1 ZINC000825166270 810713497 /nfs/dbraw/zinc/71/34/97/810713497.db2.gz FDRFVEBYKDVGID-UHFFFAOYSA-N 2 1 298.394 2.283 20 0 CEADMP CCc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)on1 ZINC001205985629 810729037 /nfs/dbraw/zinc/72/90/37/810729037.db2.gz ZBBPMIKSWKBTDE-VXGBXAGGSA-N 2 1 251.374 2.044 20 0 CEADMP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085432280 810748086 /nfs/dbraw/zinc/74/80/86/810748086.db2.gz QYGCWHJYFHOJRO-OAGGEKHMSA-N 2 1 295.471 2.288 20 0 CEADMP CN(C[C@H]1CC[N@H+]1CCC(C)(C)C)C(=O)[C@H]1CCC[NH+]1C ZINC001085518804 810804908 /nfs/dbraw/zinc/80/49/08/810804908.db2.gz ZMRVJVSLFDPMFW-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP CN(C[C@H]1CC[NH+]1CCC(C)(C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001085518804 810804915 /nfs/dbraw/zinc/80/49/15/810804915.db2.gz ZMRVJVSLFDPMFW-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP CN(C[C@H]1CC[NH+]1CCC(C)(C)C)C(=O)[C@H]1CCC[N@H+]1C ZINC001085518804 810804923 /nfs/dbraw/zinc/80/49/23/810804923.db2.gz ZMRVJVSLFDPMFW-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085606459 810850851 /nfs/dbraw/zinc/85/08/51/810850851.db2.gz NUFYAMSTNXNEEZ-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001085606459 810850857 /nfs/dbraw/zinc/85/08/57/810850857.db2.gz NUFYAMSTNXNEEZ-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085855720 810946652 /nfs/dbraw/zinc/94/66/52/810946652.db2.gz HUYNRJASYOPTAR-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP C[NH+](C)Cc1cccc(CNc2ccc(N)c[nH+]2)c1 ZINC001156044112 811182855 /nfs/dbraw/zinc/18/28/55/811182855.db2.gz GDFVQCMYWUJONU-UHFFFAOYSA-N 2 1 256.353 2.338 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nc3ccccc3[nH]2)CCC[C@H]1C[NH3+] ZINC001205996094 811306077 /nfs/dbraw/zinc/30/60/77/811306077.db2.gz UQUKFHQKKWQNTK-STQMWFEESA-N 2 1 272.396 2.370 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOCc1ccccc1)C2 ZINC001169096441 811366322 /nfs/dbraw/zinc/36/63/22/811366322.db2.gz WSGMTOIBKGBISE-OSYLJGHBSA-N 2 1 274.408 2.418 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccccc3[C@H]1O)C2 ZINC001169099681 811372521 /nfs/dbraw/zinc/37/25/21/811372521.db2.gz DURQDTKBNWDJFO-UXDQUXDASA-N 2 1 286.419 2.250 20 0 CEADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169101279 811374345 /nfs/dbraw/zinc/37/43/45/811374345.db2.gz QLUWFPWOEAVWHR-FRXHMLBDSA-N 2 1 294.439 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001169080301 811376588 /nfs/dbraw/zinc/37/65/88/811376588.db2.gz MKGSSODEPHDOEZ-MKXGPGLRSA-N 2 1 299.462 2.476 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001169080301 811376598 /nfs/dbraw/zinc/37/65/98/811376598.db2.gz MKGSSODEPHDOEZ-MKXGPGLRSA-N 2 1 299.462 2.476 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001169080301 811376607 /nfs/dbraw/zinc/37/66/07/811376607.db2.gz MKGSSODEPHDOEZ-MKXGPGLRSA-N 2 1 299.462 2.476 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC001169080301 811376617 /nfs/dbraw/zinc/37/66/17/811376617.db2.gz MKGSSODEPHDOEZ-MKXGPGLRSA-N 2 1 299.462 2.476 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC001169080301 811376625 /nfs/dbraw/zinc/37/66/25/811376625.db2.gz MKGSSODEPHDOEZ-MKXGPGLRSA-N 2 1 299.462 2.476 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOc1ccccc1)C2 ZINC001169077883 811377386 /nfs/dbraw/zinc/37/73/86/811377386.db2.gz BDTOOPINJFNYOO-QKDCVEJESA-N 2 1 260.381 2.280 20 0 CEADMP COc1ccccc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169081300 811377618 /nfs/dbraw/zinc/37/76/18/811377618.db2.gz QGTYJKKKTSCBAN-MUJYYYPQSA-N 2 1 274.408 2.453 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)n21 ZINC001169081021 811378049 /nfs/dbraw/zinc/37/80/49/811378049.db2.gz PDBJDRQFBICQMP-QKDCVEJESA-N 2 1 284.407 2.358 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)n21 ZINC001169081021 811378059 /nfs/dbraw/zinc/37/80/59/811378059.db2.gz PDBJDRQFBICQMP-QKDCVEJESA-N 2 1 284.407 2.358 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Nc1cccc(F)c1C[NH3+])C2 ZINC001169092633 811383881 /nfs/dbraw/zinc/38/38/81/811383881.db2.gz BVULLHCQMOTGMM-ZSBIGDGJSA-N 2 1 263.360 2.322 20 0 CEADMP COC1(C)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169126469 811396159 /nfs/dbraw/zinc/39/61/59/811396159.db2.gz UKABOKGKAAJYQZ-WDNDVIMCSA-N 2 1 252.402 2.113 20 0 CEADMP CC(C)COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001172456686 815444718 /nfs/dbraw/zinc/44/47/18/815444718.db2.gz HFENTIWTNJDHLD-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP C[NH2+]Cc1ccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169143151 811408458 /nfs/dbraw/zinc/40/84/58/811408458.db2.gz YKPZUNWOFVPHAM-MUJYYYPQSA-N 2 1 259.397 2.443 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1cnccn1)C2 ZINC001169141646 811409463 /nfs/dbraw/zinc/40/94/63/811409463.db2.gz RNAPOUSFNSPUGX-HLPPOEQASA-N 2 1 272.396 2.239 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1cnccn1)C2 ZINC001169141646 811409467 /nfs/dbraw/zinc/40/94/67/811409467.db2.gz RNAPOUSFNSPUGX-HLPPOEQASA-N 2 1 272.396 2.239 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1c1cnccn1)C2 ZINC001169141646 811409472 /nfs/dbraw/zinc/40/94/72/811409472.db2.gz RNAPOUSFNSPUGX-HLPPOEQASA-N 2 1 272.396 2.239 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1c1cnccn1)C2 ZINC001169141646 811409475 /nfs/dbraw/zinc/40/94/75/811409475.db2.gz RNAPOUSFNSPUGX-HLPPOEQASA-N 2 1 272.396 2.239 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccnc1[C@H]1CCC[NH2+]C1)C2 ZINC001169147687 811413052 /nfs/dbraw/zinc/41/30/52/811413052.db2.gz VWRRMOXKLRJPDZ-BYNSBNAKSA-N 2 1 274.412 2.148 20 0 CEADMP CC1(C)C[C@@H](Nc2cc[nH+]c(CN)c2)C[C@@](C)(C[NH3+])C1 ZINC001169151110 811415445 /nfs/dbraw/zinc/41/54/45/811415445.db2.gz FVXWOQCPWCZKTN-GDBMZVCRSA-N 2 1 276.428 2.496 20 0 CEADMP FC1(F)CCC[C@@H](Nc2[nH+]cccc2N2CC[NH2+]CC2)C1 ZINC001169214875 811432789 /nfs/dbraw/zinc/43/27/89/811432789.db2.gz NEDQFWSTEORXSG-GFCCVEGCSA-N 2 1 296.365 2.481 20 0 CEADMP CC[NH+]1CCC([NH2+]CCOc2ccccc2F)CC1 ZINC001169221414 811435450 /nfs/dbraw/zinc/43/54/50/811435450.db2.gz CEKNTCPHLDUGGR-UHFFFAOYSA-N 2 1 266.360 2.278 20 0 CEADMP CC[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)C)CC2)CC1 ZINC001169265561 811453688 /nfs/dbraw/zinc/45/36/88/811453688.db2.gz XZBYZNRLVDVNQS-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC([NH+]2CCC(n3cccn3)CC2)CC1 ZINC001169266618 811454887 /nfs/dbraw/zinc/45/48/87/811454887.db2.gz YXAPZRPUPIMQKC-UHFFFAOYSA-N 2 1 262.401 2.004 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC001169254233 811465487 /nfs/dbraw/zinc/46/54/87/811465487.db2.gz ADACKFIIKQUFPS-OAHLLOKOSA-N 2 1 259.397 2.355 20 0 CEADMP CC[NH+]1CCC([N@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC001169254233 811465491 /nfs/dbraw/zinc/46/54/91/811465491.db2.gz ADACKFIIKQUFPS-OAHLLOKOSA-N 2 1 259.397 2.355 20 0 CEADMP CSc1c[nH]c2nc[nH+]c(NCC[C@H]3CCC[NH2+]3)c12 ZINC001169562414 811568477 /nfs/dbraw/zinc/56/84/77/811568477.db2.gz DNIZFHQODSKLGH-SECBINFHSA-N 2 1 277.397 2.185 20 0 CEADMP Cc1cc(F)ncc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206013753 811583981 /nfs/dbraw/zinc/58/39/81/811583981.db2.gz UBFYUHZSCQWYLG-QWHCGFSZSA-N 2 1 265.376 2.336 20 0 CEADMP CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001045390616 811606198 /nfs/dbraw/zinc/60/61/98/811606198.db2.gz SDADUMMWZMENEA-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001045390901 811606206 /nfs/dbraw/zinc/60/62/06/811606206.db2.gz WMVRABQFXARXOI-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP COc1ncc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1F ZINC001206014478 811611825 /nfs/dbraw/zinc/61/18/25/811611825.db2.gz WURQNUHVFMOKMP-DGCLKSJQSA-N 2 1 281.375 2.036 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)sn1 ZINC001206021426 811679585 /nfs/dbraw/zinc/67/95/85/811679585.db2.gz ACHDUSUCDCWBAU-ZYHUDNBSSA-N 2 1 253.415 2.258 20 0 CEADMP CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717332 811755529 /nfs/dbraw/zinc/75/55/29/811755529.db2.gz ICQPUTWAEFXHRM-ZNMIVQPWSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172584804 815476522 /nfs/dbraw/zinc/47/65/22/815476522.db2.gz ARDRORQIVCBDAL-HUUCEWRRSA-N 2 1 284.444 2.430 20 0 CEADMP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172584804 815476525 /nfs/dbraw/zinc/47/65/25/815476525.db2.gz ARDRORQIVCBDAL-HUUCEWRRSA-N 2 1 284.444 2.430 20 0 CEADMP CCC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046742345 811809985 /nfs/dbraw/zinc/80/99/85/811809985.db2.gz PPXXSMDAXIFFLM-QGZVFWFLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](C3CC(C)(C)N(O)C(C)(C)C3)C[C@@H]2C1 ZINC001170010200 811902184 /nfs/dbraw/zinc/90/21/84/811902184.db2.gz BLJKYEADJBLTNX-OKILXGFUSA-N 2 1 295.471 2.281 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](C3CC(C)(C)N(O)C(C)(C)C3)C[C@@H]2C1 ZINC001170010200 811902191 /nfs/dbraw/zinc/90/21/91/811902191.db2.gz BLJKYEADJBLTNX-OKILXGFUSA-N 2 1 295.471 2.281 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](C3CC(C)(C)N(O)C(C)(C)C3)C[C@@H]2C1 ZINC001170010200 811902194 /nfs/dbraw/zinc/90/21/94/811902194.db2.gz BLJKYEADJBLTNX-OKILXGFUSA-N 2 1 295.471 2.281 20 0 CEADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([N@H+](C)C3CC3)CC2)C1 ZINC001172623241 815486607 /nfs/dbraw/zinc/48/66/07/815486607.db2.gz ODLFQYHJAOPKAD-BBRMVZONSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)C1 ZINC001172623241 815486610 /nfs/dbraw/zinc/48/66/10/815486610.db2.gz ODLFQYHJAOPKAD-BBRMVZONSA-N 2 1 294.439 2.277 20 0 CEADMP C[Si](C)(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206174770 815493340 /nfs/dbraw/zinc/49/33/40/815493340.db2.gz PICAHISAAUSDRF-JKSUJKDBSA-N 2 1 294.490 2.493 20 0 CEADMP C[Si](C)(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206174770 815493342 /nfs/dbraw/zinc/49/33/42/815493342.db2.gz PICAHISAAUSDRF-JKSUJKDBSA-N 2 1 294.490 2.493 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172767740 815513825 /nfs/dbraw/zinc/51/38/25/815513825.db2.gz KJPIUXLMKGRUEA-UONOGXRCSA-N 2 1 270.417 2.169 20 0 CEADMP COCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)s1 ZINC001206175288 815509181 /nfs/dbraw/zinc/50/91/81/815509181.db2.gz UCDQWHBGIJPLGS-CHWSQXEVSA-N 2 1 272.389 2.156 20 0 CEADMP CCC/C=C\CC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001113445025 812244626 /nfs/dbraw/zinc/24/46/26/812244626.db2.gz XHNHXFMAFIZEAA-HJWRWDBZSA-N 2 1 295.471 2.219 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000396681741 812255808 /nfs/dbraw/zinc/25/58/08/812255808.db2.gz VVHOFUUVAVHSSA-QMTHXVAHSA-N 2 1 254.324 2.237 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001113686635 812298349 /nfs/dbraw/zinc/29/83/49/812298349.db2.gz OTSCMGCKBXYGOH-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC001172778020 815518104 /nfs/dbraw/zinc/51/81/04/815518104.db2.gz DTYRUIWXFBHCTE-APIJFGDWSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC001172778020 815518110 /nfs/dbraw/zinc/51/81/10/815518110.db2.gz DTYRUIWXFBHCTE-APIJFGDWSA-N 2 1 282.428 2.038 20 0 CEADMP CC[C@H]1C[C@@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CCO1 ZINC001170214619 812340432 /nfs/dbraw/zinc/34/04/32/812340432.db2.gz ROLLRONKIQANQS-HOTGVXAUSA-N 2 1 278.440 2.362 20 0 CEADMP CC[C@H]1C[C@@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CCO1 ZINC001170214619 812340441 /nfs/dbraw/zinc/34/04/41/812340441.db2.gz ROLLRONKIQANQS-HOTGVXAUSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CC(CNc2c[nH+]c3cc(Br)ccn23)C1 ZINC001170256686 812363050 /nfs/dbraw/zinc/36/30/50/812363050.db2.gz TWYHTJGLTNSWMD-UHFFFAOYSA-N 2 1 295.184 2.070 20 0 CEADMP C[C@H](Cc1ccccc1Cl)[NH2+]CCC[N@@H+](C)CCO ZINC001170263434 812366269 /nfs/dbraw/zinc/36/62/69/812366269.db2.gz LJNSKWIINJOZPN-CYBMUJFWSA-N 2 1 284.831 2.175 20 0 CEADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001170408835 812407420 /nfs/dbraw/zinc/40/74/20/812407420.db2.gz WIBAXXOJQZNLIB-KBPBESRZSA-N 2 1 276.380 2.160 20 0 CEADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@H]1C[NH3+] ZINC001170408835 812407424 /nfs/dbraw/zinc/40/74/24/812407424.db2.gz WIBAXXOJQZNLIB-KBPBESRZSA-N 2 1 276.380 2.160 20 0 CEADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254508261 812427307 /nfs/dbraw/zinc/42/73/07/812427307.db2.gz QDWXAAVQDGAVIT-KGLIPLIRSA-N 2 1 299.459 2.364 20 0 CEADMP CCCCC[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129423942 812492379 /nfs/dbraw/zinc/49/23/79/812492379.db2.gz YNFVPONFNNJWAW-OAHLLOKOSA-N 2 1 283.460 2.145 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129421528 812492426 /nfs/dbraw/zinc/49/24/26/812492426.db2.gz ABTFOFWMDHHVAZ-INIZCTEOSA-N 2 1 297.487 2.391 20 0 CEADMP CC[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129430492 812493823 /nfs/dbraw/zinc/49/38/23/812493823.db2.gz SWHIFRLUTGDTIG-ZBFHGGJFSA-N 2 1 295.471 2.145 20 0 CEADMP CCC/C=C\CC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129842267 812512834 /nfs/dbraw/zinc/51/28/34/812512834.db2.gz VIQUKCBQVADSSL-KJPDOMRESA-N 2 1 295.471 2.313 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001137366560 812716829 /nfs/dbraw/zinc/71/68/29/812716829.db2.gz GGEMTIGVGGDDOM-UHFFFAOYSA-N 2 1 299.422 2.183 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001137366560 812716835 /nfs/dbraw/zinc/71/68/35/812716835.db2.gz GGEMTIGVGGDDOM-UHFFFAOYSA-N 2 1 299.422 2.183 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132409796 812844337 /nfs/dbraw/zinc/84/43/37/812844337.db2.gz FHLCNCNRKTWRCZ-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132409796 812844343 /nfs/dbraw/zinc/84/43/43/812844343.db2.gz FHLCNCNRKTWRCZ-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132409796 812844356 /nfs/dbraw/zinc/84/43/56/812844356.db2.gz FHLCNCNRKTWRCZ-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132517350 812872110 /nfs/dbraw/zinc/87/21/10/812872110.db2.gz BFEZCGQNQIKBPL-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCC2)C1 ZINC001132517350 812872116 /nfs/dbraw/zinc/87/21/16/812872116.db2.gz BFEZCGQNQIKBPL-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132526261 812877553 /nfs/dbraw/zinc/87/75/53/812877553.db2.gz ZQVAYOKEJOOLDM-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](C(C)C)CC2)CC[N@H+]1C ZINC001052394906 812986948 /nfs/dbraw/zinc/98/69/48/812986948.db2.gz HFUXKHVPBIFIFY-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](C(C)C)CC2)CC[NH+]1C ZINC001052394906 812986954 /nfs/dbraw/zinc/98/69/54/812986954.db2.gz HFUXKHVPBIFIFY-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](C(C)C)CC2)CC[NH+]1C ZINC001052394906 812986957 /nfs/dbraw/zinc/98/69/57/812986957.db2.gz HFUXKHVPBIFIFY-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCC)CC1 ZINC001052426156 812989601 /nfs/dbraw/zinc/98/96/01/812989601.db2.gz LLYZRHWNJCKSEN-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC)CC1 ZINC001052426156 812989606 /nfs/dbraw/zinc/98/96/06/812989606.db2.gz LLYZRHWNJCKSEN-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC)CC1 ZINC001052426156 812989611 /nfs/dbraw/zinc/98/96/11/812989611.db2.gz LLYZRHWNJCKSEN-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206188326 815567959 /nfs/dbraw/zinc/56/79/59/815567959.db2.gz VGRUXQVEOSCXEE-GJZGRUSLSA-N 2 1 294.370 2.125 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170670497 813012469 /nfs/dbraw/zinc/01/24/69/813012469.db2.gz RXAHUTHQGXHJRQ-GWCFXTLKSA-N 2 1 268.351 2.349 20 0 CEADMP C1C[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)CS1 ZINC001255278804 813039242 /nfs/dbraw/zinc/03/92/42/813039242.db2.gz BSDHBRGIKDPRPV-CQSZACIVSA-N 2 1 254.443 2.442 20 0 CEADMP Clc1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000383924174 813110465 /nfs/dbraw/zinc/11/04/65/813110465.db2.gz APAIDBATECVXQV-AOOOYVTPSA-N 2 1 271.817 2.228 20 0 CEADMP Clc1nc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000383924174 813110472 /nfs/dbraw/zinc/11/04/72/813110472.db2.gz APAIDBATECVXQV-AOOOYVTPSA-N 2 1 271.817 2.228 20 0 CEADMP CCC/C=C/CC[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133906479 813175183 /nfs/dbraw/zinc/17/51/83/813175183.db2.gz XMFOBLYDKKMMOC-CMDGGOBGSA-N 2 1 297.487 2.417 20 0 CEADMP C[C@H](Nc1[nH+]cccc1N1CC[NH2+]CC1)c1cccc(N)c1 ZINC001170728324 813214355 /nfs/dbraw/zinc/21/43/55/813214355.db2.gz YWNROBSGWANRJP-ZDUSSCGKSA-N 2 1 297.406 2.247 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000387599095 813216452 /nfs/dbraw/zinc/21/64/52/813216452.db2.gz DOPYMGDSFSNEMC-CYBMUJFWSA-N 2 1 255.365 2.406 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](C)COCc2ccccc2)C1 ZINC000390080400 813258793 /nfs/dbraw/zinc/25/87/93/813258793.db2.gz AACOAKAJDWDNPM-RDJZCZTQSA-N 2 1 276.424 2.381 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCC ZINC001170785379 813354597 /nfs/dbraw/zinc/35/45/97/813354597.db2.gz RDLFMHFYOUEXBI-OAHLLOKOSA-N 2 1 283.460 2.147 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]C(C)C ZINC001170785191 813355231 /nfs/dbraw/zinc/35/52/31/813355231.db2.gz PYDBUHRZOUMEMP-HNNXBMFYSA-N 2 1 283.460 2.145 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]C(C)C ZINC001135680274 813501523 /nfs/dbraw/zinc/50/15/23/813501523.db2.gz UDTBOFODKBNNMS-KBPBESRZSA-N 2 1 294.443 2.253 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC1 ZINC001135861447 813550206 /nfs/dbraw/zinc/55/02/06/813550206.db2.gz RCJPTHBDOXDQHG-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170871338 813567757 /nfs/dbraw/zinc/56/77/57/813567757.db2.gz OASQLBHBBFZABZ-RRFJBIMHSA-N 2 1 283.460 2.001 20 0 CEADMP [NH3+]CCC[C@H]([NH3+])Nc1cc[nH+]c(C2(C(F)(F)F)CC2)c1 ZINC001170900683 813626475 /nfs/dbraw/zinc/62/64/75/813626475.db2.gz OEXJHXVSTGGLRE-LLVKDONJSA-N 3 1 288.317 2.111 20 0 CEADMP C[C@@H]1C[C@@H](NCCC(C)(C)[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398162500 813660595 /nfs/dbraw/zinc/66/05/95/813660595.db2.gz CMZFVFSADWLEFR-GDBMZVCRSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])CN1Cc1ccccc1 ZINC000398162500 813660598 /nfs/dbraw/zinc/66/05/98/813660598.db2.gz CMZFVFSADWLEFR-GDBMZVCRSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001246121774 813707698 /nfs/dbraw/zinc/70/76/98/813707698.db2.gz SQYUCNZRCSOPOU-ZIAGYGMSSA-N 3 1 281.488 2.473 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C[NH2+]1 ZINC001246254407 813753733 /nfs/dbraw/zinc/75/37/33/813753733.db2.gz GWSLUHJNACWEDQ-JQWIXIFHSA-N 2 1 288.313 2.468 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C[C@H](CC)[NH2+]1 ZINC001246272444 813756741 /nfs/dbraw/zinc/75/67/41/813756741.db2.gz LHIGHLREGDIRBV-LXTVHRRPSA-N 3 1 253.434 2.027 20 0 CEADMP C[C@H]1C[N@@H+]([C@@H]2COc3ccc(Cl)cc3C2)C[C@H]1C[NH3+] ZINC001246542505 813959526 /nfs/dbraw/zinc/95/95/26/813959526.db2.gz PRNVZLBIGULOSJ-SUHUHFCYSA-N 2 1 280.799 2.170 20 0 CEADMP C[C@H]1C[N@H+]([C@@H]2COc3ccc(Cl)cc3C2)C[C@H]1C[NH3+] ZINC001246542505 813959530 /nfs/dbraw/zinc/95/95/30/813959530.db2.gz PRNVZLBIGULOSJ-SUHUHFCYSA-N 2 1 280.799 2.170 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc4cc[nH]c4n3)C2)C1 ZINC001144185949 813987729 /nfs/dbraw/zinc/98/77/29/813987729.db2.gz MKOWQLYXVFDHDG-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4cc[nH]c4n3)C2)C1 ZINC001144185949 813987733 /nfs/dbraw/zinc/98/77/33/813987733.db2.gz MKOWQLYXVFDHDG-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4cc[nH]c4n3)C2)C1 ZINC001144185949 813987739 /nfs/dbraw/zinc/98/77/39/813987739.db2.gz MKOWQLYXVFDHDG-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310635 813999248 /nfs/dbraw/zinc/99/92/48/813999248.db2.gz RQFJHGHITCMBQI-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CCOC(=O)N1CCC[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246550012 814003975 /nfs/dbraw/zinc/00/39/75/814003975.db2.gz IXJWTNLFUCTFNZ-ZBFHGGJFSA-N 2 1 297.443 2.201 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246559171 814041249 /nfs/dbraw/zinc/04/12/49/814041249.db2.gz ONYJAPHIQNBDFG-QLFBSQMISA-N 2 1 284.444 2.415 20 0 CEADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246564147 814055553 /nfs/dbraw/zinc/05/55/53/814055553.db2.gz FOJPHMORUGGKBP-HUUCEWRRSA-N 3 1 267.461 2.166 20 0 CEADMP CC(C)N1CCC([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246564147 814055564 /nfs/dbraw/zinc/05/55/64/814055564.db2.gz FOJPHMORUGGKBP-HUUCEWRRSA-N 2 1 267.461 2.166 20 0 CEADMP CC(C)N1CCC([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246564147 814055571 /nfs/dbraw/zinc/05/55/71/814055571.db2.gz FOJPHMORUGGKBP-HUUCEWRRSA-N 2 1 267.461 2.166 20 0 CEADMP COc1ncc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1F ZINC001144467779 814080001 /nfs/dbraw/zinc/08/00/01/814080001.db2.gz HWWCFOLRZNGGAP-UHFFFAOYSA-N 2 1 293.386 2.147 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ncn4ccccc34)C2)CC1 ZINC001144624567 814126727 /nfs/dbraw/zinc/12/67/27/814126727.db2.gz KUIWOMPUBIJAGX-UHFFFAOYSA-N 2 1 284.407 2.252 20 0 CEADMP CC(C)OC(=O)CC[C@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246579207 814134360 /nfs/dbraw/zinc/13/43/60/814134360.db2.gz BTNYBJPUVOZEPW-UONOGXRCSA-N 2 1 270.417 2.168 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CCO1 ZINC001246579564 814140121 /nfs/dbraw/zinc/14/01/21/814140121.db2.gz FUGQFUCNPJFMGQ-KFWWJZLASA-N 2 1 254.418 2.395 20 0 CEADMP CC1(C)C[C@H]([N@@H+]2CCCC[C@](F)(C[NH3+])C2)CCO1 ZINC001246584569 814164832 /nfs/dbraw/zinc/16/48/32/814164832.db2.gz XMPYHXXOXYJMIY-OCCSQVGLSA-N 2 1 258.381 2.097 20 0 CEADMP CC1(C)C[C@H]([N@H+]2CCCC[C@](F)(C[NH3+])C2)CCO1 ZINC001246584569 814164837 /nfs/dbraw/zinc/16/48/37/814164837.db2.gz XMPYHXXOXYJMIY-OCCSQVGLSA-N 2 1 258.381 2.097 20 0 CEADMP CCC/C=C/CC[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171219491 814176064 /nfs/dbraw/zinc/17/60/64/814176064.db2.gz XZZOZGJTJSRIHJ-JFDDCEBESA-N 2 1 295.471 2.171 20 0 CEADMP COC(=O)CCCC[C@@H](C)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246608207 814206403 /nfs/dbraw/zinc/20/64/03/814206403.db2.gz ILHCXQSNDHHGLA-ZBFHGGJFSA-N 2 1 282.428 2.326 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](C)CC)C[C@H]1C ZINC001102525344 814394214 /nfs/dbraw/zinc/39/42/14/814394214.db2.gz XQEKBGBIBGAIOE-ARFHVFGLSA-N 2 1 297.487 2.058 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)CC)C[C@H]1C ZINC001102525344 814394222 /nfs/dbraw/zinc/39/42/22/814394222.db2.gz XQEKBGBIBGAIOE-ARFHVFGLSA-N 2 1 297.487 2.058 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C ZINC001102525344 814394234 /nfs/dbraw/zinc/39/42/34/814394234.db2.gz XQEKBGBIBGAIOE-ARFHVFGLSA-N 2 1 297.487 2.058 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCC(C)C ZINC001147358908 814427589 /nfs/dbraw/zinc/42/75/89/814427589.db2.gz INSMFHQWQDRKKD-MRXNPFEDSA-N 2 1 297.487 2.393 20 0 CEADMP CCC/C=C\CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161043133 814468294 /nfs/dbraw/zinc/46/82/94/814468294.db2.gz YBBLVUXNOVDEDQ-KJPDOMRESA-N 2 1 295.471 2.313 20 0 CEADMP CCCCC[C@H](CCC)[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246993218 814510020 /nfs/dbraw/zinc/51/00/20/814510020.db2.gz YXUABPSVNXDNBY-KBPBESRZSA-N 2 1 254.418 2.395 20 0 CEADMP CCCCC[C@H](CCC)[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246993218 814510025 /nfs/dbraw/zinc/51/00/25/814510025.db2.gz YXUABPSVNXDNBY-KBPBESRZSA-N 2 1 254.418 2.395 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171330800 814557866 /nfs/dbraw/zinc/55/78/66/814557866.db2.gz VFPYKIRRQMYKOS-CABCVRRESA-N 2 1 283.460 2.145 20 0 CEADMP CCN(CC[NH2+]CC(C)C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001273448564 814634768 /nfs/dbraw/zinc/63/47/68/814634768.db2.gz DJCUJHXOBVXVKV-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCS1 ZINC000699213548 814663835 /nfs/dbraw/zinc/66/38/35/814663835.db2.gz ZHTMKKORRADUOK-FUDCBSFHSA-N 2 1 254.443 2.344 20 0 CEADMP CC[C@H]([NH2+]C1CCC([NH+](CC)CC)CC1)C(=O)OC ZINC001173104568 815581683 /nfs/dbraw/zinc/58/16/83/815581683.db2.gz SADIJXGEJNCJMJ-RUXDESIVSA-N 2 1 270.417 2.181 20 0 CEADMP C([C@H]1CCC2(CCC2)O1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000712485506 814750240 /nfs/dbraw/zinc/75/02/40/814750240.db2.gz MWDPLWAUYAPGEN-RBSFLKMASA-N 2 1 264.413 2.162 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712485192 814750459 /nfs/dbraw/zinc/75/04/59/814750459.db2.gz LDRUORWTMHKGQG-ZIAGYGMSSA-N 2 1 252.402 2.291 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712485192 814750462 /nfs/dbraw/zinc/75/04/62/814750462.db2.gz LDRUORWTMHKGQG-ZIAGYGMSSA-N 2 1 252.402 2.291 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3ncsc3C2)C1 ZINC001173123540 815587620 /nfs/dbraw/zinc/58/76/20/815587620.db2.gz FDKAGCQBJCCIIR-QWHCGFSZSA-N 2 1 279.453 2.322 20 0 CEADMP C([C@@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713244505 814847321 /nfs/dbraw/zinc/84/73/21/814847321.db2.gz UNHMRQWDUDUHPQ-QLFBSQMISA-N 2 1 264.413 2.162 20 0 CEADMP C([C@@H]1C[C@H]2CCC[C@H]2O1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713244505 814847324 /nfs/dbraw/zinc/84/73/24/814847324.db2.gz UNHMRQWDUDUHPQ-QLFBSQMISA-N 2 1 264.413 2.162 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(C)(C)CO2)CC[N@H+]1C ZINC000713518157 814861501 /nfs/dbraw/zinc/86/15/01/814861501.db2.gz ZFSJMPCLORDSLX-RDBSUJKOSA-N 2 1 254.418 2.264 20 0 CEADMP c1csc(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000714994162 814921317 /nfs/dbraw/zinc/92/13/17/814921317.db2.gz GODFUTJAEBZXHO-TZMCWYRMSA-N 2 1 250.411 2.365 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1COc2cccc(OC)c2C1 ZINC001173146753 815605800 /nfs/dbraw/zinc/60/58/00/815605800.db2.gz INQKCIICNKMHKN-AWEZNQCLSA-N 2 1 292.423 2.320 20 0 CEADMP CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCOC)CC2)C1 ZINC001173274437 815647467 /nfs/dbraw/zinc/64/74/67/815647467.db2.gz QFSMQXDFSPHIKP-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001173349442 815685465 /nfs/dbraw/zinc/68/54/65/815685465.db2.gz GIQKSACJQVWDOY-DLBZAZTESA-N 2 1 275.440 2.363 20 0 CEADMP CC[N@H+]1CC[C@@H](N2C(C)(C)CC([NH3+])CC2(C)C)C1 ZINC001173351922 815686653 /nfs/dbraw/zinc/68/66/53/815686653.db2.gz GFCBVNMMPMQOQR-CYBMUJFWSA-N 2 1 253.434 2.061 20 0 CEADMP CC[N@@H+]1CC[C@@H](NC(=[NH2+])c2ccc(F)c(Cl)c2)C1 ZINC001173354842 815696260 /nfs/dbraw/zinc/69/62/60/815696260.db2.gz SZMYNLDGZRNAHP-SNVBAGLBSA-N 2 1 269.751 2.488 20 0 CEADMP CC[N@H+]1CC[C@@H](NC(=[NH2+])c2ccc(F)c(Cl)c2)C1 ZINC001173354842 815696263 /nfs/dbraw/zinc/69/62/63/815696263.db2.gz SZMYNLDGZRNAHP-SNVBAGLBSA-N 2 1 269.751 2.488 20 0 CEADMP CC[N@@H+]1CC[C@@H](N2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC001173363505 815703453 /nfs/dbraw/zinc/70/34/53/815703453.db2.gz OJBCEAZAJFDDJO-SJORKVTESA-N 2 1 273.424 2.069 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC001173363505 815703456 /nfs/dbraw/zinc/70/34/56/815703456.db2.gz OJBCEAZAJFDDJO-SJORKVTESA-N 2 1 273.424 2.069 20 0 CEADMP CC[NH+]1CC[C@@H](N2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC001173363505 815703459 /nfs/dbraw/zinc/70/34/59/815703459.db2.gz OJBCEAZAJFDDJO-SJORKVTESA-N 2 1 273.424 2.069 20 0 CEADMP CC[NH+]1CC[C@@H](N2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC001173363505 815703462 /nfs/dbraw/zinc/70/34/62/815703462.db2.gz OJBCEAZAJFDDJO-SJORKVTESA-N 2 1 273.424 2.069 20 0 CEADMP CC[N@H+]1CC[C@@H](N(c2cc[nH+]cc2C)C2CC[NH2+]CC2)C1 ZINC001173371133 815707375 /nfs/dbraw/zinc/70/73/75/815707375.db2.gz FLNASTVZNSCURK-MRXNPFEDSA-N 3 1 288.439 2.043 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001173370598 815707551 /nfs/dbraw/zinc/70/75/51/815707551.db2.gz ISGGZXKHRGCMRM-YESZJQIVSA-N 2 1 279.472 2.419 20 0 CEADMP CC[NH+]1CC[C@@H](N2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001173370598 815707555 /nfs/dbraw/zinc/70/75/55/815707555.db2.gz ISGGZXKHRGCMRM-YESZJQIVSA-N 2 1 279.472 2.419 20 0 CEADMP CC[NH+]1CC[C@@H](N2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001173370598 815707559 /nfs/dbraw/zinc/70/75/59/815707559.db2.gz ISGGZXKHRGCMRM-YESZJQIVSA-N 2 1 279.472 2.419 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC001173375817 815708599 /nfs/dbraw/zinc/70/85/99/815708599.db2.gz XYYPLWXOXMPTLO-GBESFXJTSA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001173375817 815708605 /nfs/dbraw/zinc/70/86/05/815708605.db2.gz XYYPLWXOXMPTLO-GBESFXJTSA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001173375817 815708607 /nfs/dbraw/zinc/70/86/07/815708607.db2.gz XYYPLWXOXMPTLO-GBESFXJTSA-N 2 1 299.462 2.287 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001173437748 815714161 /nfs/dbraw/zinc/71/41/61/815714161.db2.gz PGRPQFUXMNHJPI-KBPBESRZSA-N 2 1 270.417 2.040 20 0 CEADMP COC(=O)CCCC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001173462527 815740020 /nfs/dbraw/zinc/74/00/20/815740020.db2.gz VZOFWLGHYNYFQL-ZBFHGGJFSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CCCC[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001173462527 815740023 /nfs/dbraw/zinc/74/00/23/815740023.db2.gz VZOFWLGHYNYFQL-ZBFHGGJFSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CCCC[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001173462527 815740024 /nfs/dbraw/zinc/74/00/24/815740024.db2.gz VZOFWLGHYNYFQL-ZBFHGGJFSA-N 2 1 282.428 2.136 20 0 CEADMP c1csc(-c2n[nH]cc2CN2CCc3nccn3CC2)c1 ZINC001138157623 815740683 /nfs/dbraw/zinc/74/06/83/815740683.db2.gz KHIRNUFUQIRKTP-UHFFFAOYSA-N 2 1 299.403 2.393 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C1 ZINC001173648674 815791932 /nfs/dbraw/zinc/79/19/32/815791932.db2.gz FJHCHRJLGXCAJM-RRFJBIMHSA-N 2 1 282.428 2.182 20 0 CEADMP CC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001138771807 815891010 /nfs/dbraw/zinc/89/10/10/815891010.db2.gz DYQGHXYTDSGZOE-MRXNPFEDSA-N 2 1 290.407 2.038 20 0 CEADMP CC[C@H]1CCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139324483 816003515 /nfs/dbraw/zinc/00/35/15/816003515.db2.gz CKGMDUKYLKTBPJ-ZDUSSCGKSA-N 2 1 294.468 2.269 20 0 CEADMP CC[C@H]1CCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139324483 816003521 /nfs/dbraw/zinc/00/35/21/816003521.db2.gz CKGMDUKYLKTBPJ-ZDUSSCGKSA-N 2 1 294.468 2.269 20 0 CEADMP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(Cl)n1)CC2 ZINC001139551825 816044058 /nfs/dbraw/zinc/04/40/58/816044058.db2.gz IEPJNQPSSFJKQF-UHFFFAOYSA-N 2 1 265.788 2.263 20 0 CEADMP CC[NH+](CC)C1CC[NH+](CC2(CC)COC2)CC1 ZINC001202957728 816075471 /nfs/dbraw/zinc/07/54/71/816075471.db2.gz HNFFXJXGSFPSAA-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4c(cnn4C)c3)C[C@H]2C1 ZINC001139957668 816150596 /nfs/dbraw/zinc/15/05/96/816150596.db2.gz OCFKEUOZGDQATI-IAGOWNOFSA-N 2 1 298.434 2.347 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(cnn2C)c1 ZINC001139958197 816150859 /nfs/dbraw/zinc/15/08/59/816150859.db2.gz WGKSDYVXNDMYMJ-UHFFFAOYSA-N 2 1 274.412 2.347 20 0 CEADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175263013 816164073 /nfs/dbraw/zinc/16/40/73/816164073.db2.gz NCNLARWQUJELGF-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@@H+](CCn1ccnc1)Cc1[nH]nc2ccc(OC)cc21 ZINC001140070583 816187088 /nfs/dbraw/zinc/18/70/88/816187088.db2.gz JTYSPZHRFJDICH-UHFFFAOYSA-N 2 1 299.378 2.290 20 0 CEADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)c(OC)c3)C[C@H]2C1 ZINC001140161676 816202837 /nfs/dbraw/zinc/20/28/37/816202837.db2.gz QEKCAQDKBLLJFL-HZPDHXFCSA-N 2 1 274.408 2.387 20 0 CEADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C)c(OC)c3)C[C@@H]2C1 ZINC001140161677 816202995 /nfs/dbraw/zinc/20/29/95/816202995.db2.gz QEKCAQDKBLLJFL-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)c(OC)c3)C[C@@H]2C1 ZINC001140161677 816203000 /nfs/dbraw/zinc/20/30/00/816203000.db2.gz QEKCAQDKBLLJFL-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)c(OC)c3)C[C@@H]2C1 ZINC001140161677 816203005 /nfs/dbraw/zinc/20/30/05/816203005.db2.gz QEKCAQDKBLLJFL-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)c(OC)c3)C[C@@H]2C1 ZINC001140161677 816203009 /nfs/dbraw/zinc/20/30/09/816203009.db2.gz QEKCAQDKBLLJFL-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccncn1 ZINC001140347953 816239775 /nfs/dbraw/zinc/23/97/75/816239775.db2.gz CMWUNAORMXLSIC-HOTGVXAUSA-N 2 1 274.412 2.315 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)ncn4C)C[C@@H]2C1 ZINC001140511512 816273707 /nfs/dbraw/zinc/27/37/07/816273707.db2.gz GCBFLGYUGDRNSQ-IYBDPMFKSA-N 2 1 298.434 2.347 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)ncn4C)C[C@@H]2C1 ZINC001140511512 816273709 /nfs/dbraw/zinc/27/37/09/816273709.db2.gz GCBFLGYUGDRNSQ-IYBDPMFKSA-N 2 1 298.434 2.347 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)ncn4C)C[C@@H]2C1 ZINC001140511512 816273713 /nfs/dbraw/zinc/27/37/13/816273713.db2.gz GCBFLGYUGDRNSQ-IYBDPMFKSA-N 2 1 298.434 2.347 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)ncn4C)C[C@@H]2C1 ZINC001140511512 816273715 /nfs/dbraw/zinc/27/37/15/816273715.db2.gz GCBFLGYUGDRNSQ-IYBDPMFKSA-N 2 1 298.434 2.347 20 0 CEADMP CC(=O)Nc1cc(Nc2ccc(C[NH3+])cc2)cc[nH+]1 ZINC001175965837 816309680 /nfs/dbraw/zinc/30/96/80/816309680.db2.gz IEFQEGDOFPVOFC-UHFFFAOYSA-N 2 1 256.309 2.242 20 0 CEADMP CN1C(=O)CC[C@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)CC[C@H]21 ZINC001140806802 816367448 /nfs/dbraw/zinc/36/74/48/816367448.db2.gz SLFHGJKNBDLGHR-BLLLJJGKSA-N 2 1 298.390 2.006 20 0 CEADMP CN1C(=O)CC[C@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)CC[C@H]21 ZINC001140806802 816367457 /nfs/dbraw/zinc/36/74/57/816367457.db2.gz SLFHGJKNBDLGHR-BLLLJJGKSA-N 2 1 298.390 2.006 20 0 CEADMP CN(C)c1cccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206622897 816373730 /nfs/dbraw/zinc/37/37/30/816373730.db2.gz IREGFUVJPSLPIP-OAHLLOKOSA-N 2 1 261.413 2.313 20 0 CEADMP C[N@H+](Cc1ccccc1N1CC[NH+](C)CC1)CC1CC1 ZINC001140968964 816425428 /nfs/dbraw/zinc/42/54/28/816425428.db2.gz UEHDJHRYXSYYTI-UHFFFAOYSA-N 2 1 273.424 2.280 20 0 CEADMP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563140 816441498 /nfs/dbraw/zinc/44/14/98/816441498.db2.gz BHOWUPIPRNSZQZ-CVEARBPZSA-N 2 1 297.487 2.393 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCc2cccnc2)CC1 ZINC001206293179 816520434 /nfs/dbraw/zinc/52/04/34/816520434.db2.gz GQFOGPLRIKVMDK-INIZCTEOSA-N 2 1 261.413 2.465 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1N ZINC001206311181 816654296 /nfs/dbraw/zinc/65/42/96/816654296.db2.gz KRPQOMSTHPRMNC-MRXNPFEDSA-N 2 1 277.412 2.228 20 0 CEADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178361439 816732129 /nfs/dbraw/zinc/73/21/29/816732129.db2.gz YZBDEINJCGOXEK-CWRNSKLLSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+](C)C1CC[NH+](Cc2ccnc3[nH]ccc32)CC1 ZINC001142866223 816743109 /nfs/dbraw/zinc/74/31/09/816743109.db2.gz DQWPAKHUBLNVMQ-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001178689087 816781799 /nfs/dbraw/zinc/78/17/99/816781799.db2.gz RSCDNENHMFWFQQ-MRXNPFEDSA-N 2 1 297.487 2.250 20 0 CEADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178832085 816800087 /nfs/dbraw/zinc/80/00/87/816800087.db2.gz DCSITYOOZWEBCC-INIZCTEOSA-N 2 1 297.487 2.393 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179382855 816860081 /nfs/dbraw/zinc/86/00/81/816860081.db2.gz DCTAJLKDNNWPJW-GJZGRUSLSA-N 2 1 283.460 2.003 20 0 CEADMP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001179590980 816881668 /nfs/dbraw/zinc/88/16/68/816881668.db2.gz NHHIVJUKYOTEHB-JKSUJKDBSA-N 2 1 297.487 2.250 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCOC2(CCC2)C1)C1CC1 ZINC000449087317 282094907 /nfs/dbraw/zinc/09/49/07/282094907.db2.gz FVYFCWPTBBQXQC-UONOGXRCSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)sc1C ZINC000127681615 187325722 /nfs/dbraw/zinc/32/57/22/187325722.db2.gz PPHLBPCDMOOZPX-ZWNOBZJWSA-N 2 1 267.442 2.375 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC000121383715 365560663 /nfs/dbraw/zinc/56/06/63/365560663.db2.gz MHLOGFIMVQPBTJ-ZDUSSCGKSA-N 2 1 250.361 2.252 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC000121383715 365560670 /nfs/dbraw/zinc/56/06/70/365560670.db2.gz MHLOGFIMVQPBTJ-ZDUSSCGKSA-N 2 1 250.361 2.252 20 0 CEADMP Cc1[nH+]cc(CNc2cc[nH+]c(C)c2Br)n1C ZINC000567627014 299068464 /nfs/dbraw/zinc/06/84/64/299068464.db2.gz AEMCLCIPXASYTO-UHFFFAOYSA-N 2 1 295.184 2.228 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)O1 ZINC000449104345 282101536 /nfs/dbraw/zinc/10/15/36/282101536.db2.gz VIFPCMNNURMKTG-ARKGTOAJSA-N 2 1 284.444 2.031 20 0 CEADMP C[C@H]1O[C@@H](C)C[C@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449104344 282101545 /nfs/dbraw/zinc/10/15/45/282101545.db2.gz VIFPCMNNURMKTG-AALSBFMBSA-N 2 1 284.444 2.031 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000121498531 365575988 /nfs/dbraw/zinc/57/59/88/365575988.db2.gz NYGOOKZRTYXCSH-RDJZCZTQSA-N 2 1 287.451 2.369 20 0 CEADMP CC(C)[C@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000124265463 365648147 /nfs/dbraw/zinc/64/81/47/365648147.db2.gz VGWHHTCEPKHDKP-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)CCO1 ZINC000449166497 282128433 /nfs/dbraw/zinc/12/84/33/282128433.db2.gz DEYSOGLPDHNTPN-TUVASFSCSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000125574891 365678571 /nfs/dbraw/zinc/67/85/71/365678571.db2.gz XWXCSAXBCJXLHJ-OWCLPIDISA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000125574891 365678575 /nfs/dbraw/zinc/67/85/75/365678575.db2.gz XWXCSAXBCJXLHJ-OWCLPIDISA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000125574891 365678578 /nfs/dbraw/zinc/67/85/78/365678578.db2.gz XWXCSAXBCJXLHJ-OWCLPIDISA-N 3 1 267.461 2.181 20 0 CEADMP COC(=O)c1ccc(Cl)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000601326059 346821235 /nfs/dbraw/zinc/82/12/35/346821235.db2.gz IUEPMJQDNSGBOY-ZWNOBZJWSA-N 2 1 296.798 2.153 20 0 CEADMP COC(=O)c1ccc(Cl)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000601326059 346821238 /nfs/dbraw/zinc/82/12/38/346821238.db2.gz IUEPMJQDNSGBOY-ZWNOBZJWSA-N 2 1 296.798 2.153 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCOC2CCCC2)CC[N@H+]1C ZINC000125230161 187175263 /nfs/dbraw/zinc/17/52/63/187175263.db2.gz JAMRWZFOWDDTKH-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@@H]([NH2+]CC[NH3+])c1cccc(Br)c1 ZINC000037712950 361922367 /nfs/dbraw/zinc/92/23/67/361922367.db2.gz QDDNWXYKUTYIQK-LLVKDONJSA-N 2 1 257.175 2.449 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CCOCC1 ZINC000337991002 214346811 /nfs/dbraw/zinc/34/68/11/214346811.db2.gz VDVHKYNCGCNCEO-LSDHHAIUSA-N 2 1 266.429 2.266 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2C)C1(C)C ZINC000338010073 214358578 /nfs/dbraw/zinc/35/85/78/214358578.db2.gz DIJSTDJNXYSBIF-KGLIPLIRSA-N 2 1 265.401 2.375 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621642561 349650363 /nfs/dbraw/zinc/65/03/63/349650363.db2.gz QIRVWJXGKJPCBY-BZUAXINKSA-N 2 1 295.471 2.003 20 0 CEADMP CCc1noc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000123529833 539177202 /nfs/dbraw/zinc/17/72/02/539177202.db2.gz DGTWUUPUIAACTN-UHFFFAOYSA-N 2 1 280.416 2.186 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2(CO)CCCCC2)CC[N@H+]1C ZINC000123273881 539174108 /nfs/dbraw/zinc/17/41/08/539174108.db2.gz XYGLYNUUWDGTTK-ZIAGYGMSSA-N 2 1 254.418 2.002 20 0 CEADMP CN1CC(C[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000668540180 539194012 /nfs/dbraw/zinc/19/40/12/539194012.db2.gz YVNNVVRHPNAOJY-UHFFFAOYSA-N 2 1 270.380 2.070 20 0 CEADMP CN1CC(C[N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000668540180 539194014 /nfs/dbraw/zinc/19/40/14/539194014.db2.gz YVNNVVRHPNAOJY-UHFFFAOYSA-N 2 1 270.380 2.070 20 0 CEADMP CCn1cc(CC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000621776836 349699293 /nfs/dbraw/zinc/69/92/93/349699293.db2.gz XPTDFOZBUOZOKR-KRWDZBQOSA-N 2 1 290.455 2.157 20 0 CEADMP COc1cccc(CCC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621781373 349700930 /nfs/dbraw/zinc/70/09/30/349700930.db2.gz CQDABAPZAJIDHU-NVXWUHKLSA-N 2 1 274.408 2.441 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000621775171 349697271 /nfs/dbraw/zinc/69/72/71/349697271.db2.gz ICDQBUXVQREVCL-HOTGVXAUSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000621775171 349697274 /nfs/dbraw/zinc/69/72/74/349697274.db2.gz ICDQBUXVQREVCL-HOTGVXAUSA-N 2 1 259.397 2.354 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000668668104 539230612 /nfs/dbraw/zinc/23/06/12/539230612.db2.gz PBHJOLZZODUOPC-JONQDZQNSA-N 2 1 264.413 2.018 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357105990 529567711 /nfs/dbraw/zinc/56/77/11/529567711.db2.gz OSIJNDFVQLKQAK-GDBMZVCRSA-N 2 1 274.408 2.299 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CC[C@H]4COC[C@@H]4C3)n21 ZINC000668706585 539242681 /nfs/dbraw/zinc/24/26/81/539242681.db2.gz SXQUXBXJWPJQQE-KBPBESRZSA-N 2 1 271.364 2.111 20 0 CEADMP Cc1ccc(CCC[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000622003778 349763855 /nfs/dbraw/zinc/76/38/55/349763855.db2.gz FTAKHIYAIWNEQP-JKSUJKDBSA-N 2 1 259.397 2.136 20 0 CEADMP Cc1ccc(CCC[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000622003778 349763857 /nfs/dbraw/zinc/76/38/57/349763857.db2.gz FTAKHIYAIWNEQP-JKSUJKDBSA-N 2 1 259.397 2.136 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc2cc[nH]c21 ZINC000401772897 539254733 /nfs/dbraw/zinc/25/47/33/539254733.db2.gz PVXFXBMTVPDWPH-UHFFFAOYSA-N 2 1 254.337 2.234 20 0 CEADMP CN(CCCC[NH+](C)C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000081789798 539266941 /nfs/dbraw/zinc/26/69/41/539266941.db2.gz XEJYLGXSIBRPRH-MRXNPFEDSA-N 2 1 291.439 2.090 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227071799 539268736 /nfs/dbraw/zinc/26/87/36/539268736.db2.gz BXZOYGUQTOVOCC-GOEBONIOSA-N 2 1 262.397 2.351 20 0 CEADMP CCC[C@H](C)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785234 539271903 /nfs/dbraw/zinc/27/19/03/539271903.db2.gz OQSHOCMOYIGXRX-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042170176 362066678 /nfs/dbraw/zinc/06/66/78/362066678.db2.gz HCMMYIIJGYRPNQ-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)cn1 ZINC000126330334 187233923 /nfs/dbraw/zinc/23/39/23/187233923.db2.gz OPYZCNYEJJMGML-DOMZBBRYSA-N 2 1 286.379 2.090 20 0 CEADMP CC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CCCCC1 ZINC000043401942 362144243 /nfs/dbraw/zinc/14/42/43/362144243.db2.gz IFPWJHDRLYGRIP-UHFFFAOYSA-N 2 1 266.389 2.418 20 0 CEADMP CC[N@@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C)n2)C[C@@H]1C ZINC000436436509 539302233 /nfs/dbraw/zinc/30/22/33/539302233.db2.gz JTRJHBTTXGAQNK-GXTWGEPZSA-N 2 1 262.401 2.402 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C)n2)C[C@@H]1C ZINC000436436509 539302235 /nfs/dbraw/zinc/30/22/35/539302235.db2.gz JTRJHBTTXGAQNK-GXTWGEPZSA-N 2 1 262.401 2.402 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCOC3(CCC3)C2)CC1 ZINC000449478699 282252741 /nfs/dbraw/zinc/25/27/41/282252741.db2.gz KRUQLJNTRDRMFQ-HNNXBMFYSA-N 2 1 296.455 2.036 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000567812367 299094550 /nfs/dbraw/zinc/09/45/50/299094550.db2.gz UMLPLSZARUDDMJ-INIZCTEOSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@H]1C1CCC1 ZINC000567812367 299094554 /nfs/dbraw/zinc/09/45/54/299094554.db2.gz UMLPLSZARUDDMJ-INIZCTEOSA-N 2 1 277.412 2.473 20 0 CEADMP C[C@H]1CC([NH2+]CCCN2CCC[N@@H+](C)CC2)C[C@H](C)C1 ZINC000127716474 365759353 /nfs/dbraw/zinc/75/93/53/365759353.db2.gz MHZDRLNAZPBATO-HZPDHXFCSA-N 2 1 281.488 2.428 20 0 CEADMP OC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000295005549 199296014 /nfs/dbraw/zinc/29/60/14/199296014.db2.gz IYMMHONHBHCFKZ-AEFFLSMTSA-N 2 1 288.435 2.402 20 0 CEADMP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449529468 282274574 /nfs/dbraw/zinc/27/45/74/282274574.db2.gz XHTXXWXHCOOOBY-UHFFFAOYSA-N 3 1 298.500 2.415 20 0 CEADMP CCC[N@H+](CCCn1cc[nH+]c1C)CC(C)(C)O ZINC000336695950 365763641 /nfs/dbraw/zinc/76/36/41/365763641.db2.gz CHRBCRIPDXHYQX-UHFFFAOYSA-N 2 1 253.390 2.065 20 0 CEADMP CCC[N@@H+](CCCn1cc[nH+]c1C)CC(C)(C)O ZINC000336695950 365763644 /nfs/dbraw/zinc/76/36/44/365763644.db2.gz CHRBCRIPDXHYQX-UHFFFAOYSA-N 2 1 253.390 2.065 20 0 CEADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000228177623 539325633 /nfs/dbraw/zinc/32/56/33/539325633.db2.gz WUPAUJUJFWTOGL-HUUCEWRRSA-N 2 1 262.397 2.494 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000351354366 219092919 /nfs/dbraw/zinc/09/29/19/219092919.db2.gz QLDCOBAPQKEHJM-OAHLLOKOSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[NH+](C)CCCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000351354366 219092920 /nfs/dbraw/zinc/09/29/20/219092920.db2.gz QLDCOBAPQKEHJM-OAHLLOKOSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[NH+](C)CCCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000351354366 219092922 /nfs/dbraw/zinc/09/29/22/219092922.db2.gz QLDCOBAPQKEHJM-OAHLLOKOSA-N 2 1 283.460 2.097 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000336718087 365783122 /nfs/dbraw/zinc/78/31/22/365783122.db2.gz UNONCYZYILIFMX-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000351492350 219104378 /nfs/dbraw/zinc/10/43/78/219104378.db2.gz JFFMALLMWUVJAN-UHFFFAOYSA-N 2 1 289.423 2.459 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nc2ccccc2n1C ZINC000066973474 343727721 /nfs/dbraw/zinc/72/77/21/343727721.db2.gz HFLAAIOODVMWBO-UHFFFAOYSA-N 2 1 283.379 2.258 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2ccncc2)C1 ZINC000351512575 219110430 /nfs/dbraw/zinc/11/04/30/219110430.db2.gz GTIUUFHEJMSOIY-QGZVFWFLSA-N 2 1 273.424 2.288 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2ccncc2)C1 ZINC000351512575 219110432 /nfs/dbraw/zinc/11/04/32/219110432.db2.gz GTIUUFHEJMSOIY-QGZVFWFLSA-N 2 1 273.424 2.288 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2ccncc2)C1 ZINC000351512575 219110435 /nfs/dbraw/zinc/11/04/35/219110435.db2.gz GTIUUFHEJMSOIY-QGZVFWFLSA-N 2 1 273.424 2.288 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc1 ZINC000449606310 282302472 /nfs/dbraw/zinc/30/24/72/282302472.db2.gz YIWFIMKSYICNGI-UONOGXRCSA-N 2 1 291.439 2.384 20 0 CEADMP Cc1cccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)[nH+]1 ZINC000077316565 343916797 /nfs/dbraw/zinc/91/67/97/343916797.db2.gz WPDUHKUXMJVWKY-HNNXBMFYSA-N 2 1 275.396 2.445 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNC(=O)CC1CCCCC1 ZINC000089666337 344127266 /nfs/dbraw/zinc/12/72/66/344127266.db2.gz OJCWTZBPACDIGI-HOCLYGCPSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000092455031 344189622 /nfs/dbraw/zinc/18/96/22/344189622.db2.gz OUBZOONRFXYOAX-INIZCTEOSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+](CC)[C@H](C)CNc1cncc(-n2cc[nH+]c2C)n1 ZINC000092890601 344205799 /nfs/dbraw/zinc/20/57/99/344205799.db2.gz KDGNVOJQTKOIPK-GFCCVEGCSA-N 2 1 288.399 2.113 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccs1 ZINC000049530472 362370872 /nfs/dbraw/zinc/37/08/72/362370872.db2.gz WXRPNGMNTFZAOI-CHWSQXEVSA-N 2 1 268.426 2.246 20 0 CEADMP FC(F)(F)Oc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107577579 344261140 /nfs/dbraw/zinc/26/11/40/344261140.db2.gz PZCRDDROLGASHP-VXGBXAGGSA-N 2 1 286.297 2.236 20 0 CEADMP [NH3+]CCC1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000132959669 344366493 /nfs/dbraw/zinc/36/64/93/344366493.db2.gz BGWXQPSQTQZRTG-UHFFFAOYSA-N 2 1 298.228 2.405 20 0 CEADMP COc1ccc(OC)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000131473152 344358310 /nfs/dbraw/zinc/35/83/10/344358310.db2.gz FTKDFROYEGLHJT-WCQYABFASA-N 2 1 264.369 2.015 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000131473152 344358312 /nfs/dbraw/zinc/35/83/12/344358312.db2.gz FTKDFROYEGLHJT-WCQYABFASA-N 2 1 264.369 2.015 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000151115615 344419946 /nfs/dbraw/zinc/41/99/46/344419946.db2.gz GXACGXXPSQHCGL-CYBMUJFWSA-N 2 1 289.414 2.037 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000351597868 219139906 /nfs/dbraw/zinc/13/99/06/219139906.db2.gz UVAJKDACOOAQAL-MSOLQXFVSA-N 2 1 288.435 2.052 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000351597868 219139909 /nfs/dbraw/zinc/13/99/09/219139909.db2.gz UVAJKDACOOAQAL-MSOLQXFVSA-N 2 1 288.435 2.052 20 0 CEADMP C[C@@H]1C[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000226403306 344549789 /nfs/dbraw/zinc/54/97/89/344549789.db2.gz NPZKHWRHLMNDIS-FVQBIDKESA-N 2 1 289.423 2.066 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000050597683 362423318 /nfs/dbraw/zinc/42/33/18/362423318.db2.gz OLYNKCUEBWVCDR-HNNXBMFYSA-N 2 1 262.397 2.435 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000050597683 362423325 /nfs/dbraw/zinc/42/33/25/362423325.db2.gz OLYNKCUEBWVCDR-HNNXBMFYSA-N 2 1 262.397 2.435 20 0 CEADMP [NH2+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)Nc1ccccc1 ZINC000051691822 362433669 /nfs/dbraw/zinc/43/36/69/362433669.db2.gz NTVFISVEOFPXAZ-LBPRGKRZSA-N 2 1 258.369 2.107 20 0 CEADMP c1cc2c(s1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000051919391 362448572 /nfs/dbraw/zinc/44/85/72/362448572.db2.gz HMSDCRCBEQGCPX-GFCCVEGCSA-N 2 1 250.411 2.496 20 0 CEADMP C[NH2+]Cc1noc(-c2oc3ccccc3c2C[NH+](C)C)n1 ZINC000414498649 530011993 /nfs/dbraw/zinc/01/19/93/530011993.db2.gz IJOJZKAZPDGIIJ-UHFFFAOYSA-N 2 1 286.335 2.264 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000251668888 344636983 /nfs/dbraw/zinc/63/69/83/344636983.db2.gz AABYFYDNKHMTLT-BTTYYORXSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000251668888 344636985 /nfs/dbraw/zinc/63/69/85/344636985.db2.gz AABYFYDNKHMTLT-BTTYYORXSA-N 2 1 254.418 2.406 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1)O[C@@H](C)C2 ZINC000314118109 344744795 /nfs/dbraw/zinc/74/47/95/344744795.db2.gz DBNXYBYFUJZFMY-YVEFUNNKSA-N 2 1 290.407 2.189 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CC[C@](C)(C[NH3+])C1)O[C@@H](C)C2 ZINC000314118109 344744798 /nfs/dbraw/zinc/74/47/98/344744798.db2.gz DBNXYBYFUJZFMY-YVEFUNNKSA-N 2 1 290.407 2.189 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449784126 282366695 /nfs/dbraw/zinc/36/66/95/282366695.db2.gz VIJRGWMMUDCNFV-CQSZACIVSA-N 2 1 283.460 2.097 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449784126 282366698 /nfs/dbraw/zinc/36/66/98/282366698.db2.gz VIJRGWMMUDCNFV-CQSZACIVSA-N 2 1 283.460 2.097 20 0 CEADMP C([C@@H]1CCSC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000224608411 539423358 /nfs/dbraw/zinc/42/33/58/539423358.db2.gz RHGZHNMLNSLENA-MJBXVCDLSA-N 2 1 254.443 2.204 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000305702853 201773942 /nfs/dbraw/zinc/77/39/42/201773942.db2.gz CCJYDXZLMUEMEN-GOSISDBHSA-N 2 1 299.418 2.395 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000351622829 219149667 /nfs/dbraw/zinc/14/96/67/219149667.db2.gz SRAXOTOJOWHUEO-SQNIBIBYSA-N 2 1 288.435 2.367 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000351622829 219149668 /nfs/dbraw/zinc/14/96/68/219149668.db2.gz SRAXOTOJOWHUEO-SQNIBIBYSA-N 2 1 288.435 2.367 20 0 CEADMP C[C@H]1C[N@@H+](CCCCC2CCOCC2)CC[C@@H]1[NH3+] ZINC000336785112 365804633 /nfs/dbraw/zinc/80/46/33/365804633.db2.gz BIPGYGQMFVKMNV-ZFWWWQNUSA-N 2 1 254.418 2.252 20 0 CEADMP CCSCC[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000590602187 345151064 /nfs/dbraw/zinc/15/10/64/345151064.db2.gz GPCWPLCYGWGWBZ-ZIAGYGMSSA-N 2 1 276.490 2.151 20 0 CEADMP CCSCC[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000590602187 345151066 /nfs/dbraw/zinc/15/10/66/345151066.db2.gz GPCWPLCYGWGWBZ-ZIAGYGMSSA-N 2 1 276.490 2.151 20 0 CEADMP CCSCC[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000590602187 345151069 /nfs/dbraw/zinc/15/10/69/345151069.db2.gz GPCWPLCYGWGWBZ-ZIAGYGMSSA-N 2 1 276.490 2.151 20 0 CEADMP COC(=O)c1ccc(Cl)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000591278439 345236510 /nfs/dbraw/zinc/23/65/10/345236510.db2.gz AKPJYMBTRHDNAP-ZDUSSCGKSA-N 2 1 296.798 2.358 20 0 CEADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000591577229 345266117 /nfs/dbraw/zinc/26/61/17/345266117.db2.gz CZIHDNBVSWTYSM-ZFWWWQNUSA-N 2 1 282.428 2.230 20 0 CEADMP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592491689 345360237 /nfs/dbraw/zinc/36/02/37/345360237.db2.gz HWEISTAAEZZYCB-KFWWJZLASA-N 2 1 282.428 2.040 20 0 CEADMP C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402292 232176532 /nfs/dbraw/zinc/17/65/32/232176532.db2.gz BDJCBMAHMURHGK-QWRGUYRKSA-N 2 1 266.389 2.274 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cn2ccccc2n1 ZINC000130606182 232211513 /nfs/dbraw/zinc/21/15/13/232211513.db2.gz VYDBIVAXHXYTML-IIAWOOMASA-N 2 1 286.423 2.195 20 0 CEADMP COc1cc([C@H](C)[NH2+]CCC[NH+](C)C)ccc1F ZINC000152545105 232220346 /nfs/dbraw/zinc/22/03/46/232220346.db2.gz DDBSLOFPCCUQPG-NSHDSACASA-N 2 1 254.349 2.437 20 0 CEADMP Cc1ccccc1-n1cc(C[NH2+]CCc2c[nH+]cn2C)cn1 ZINC000623086060 349933876 /nfs/dbraw/zinc/93/38/76/349933876.db2.gz VCCNRCRCDKHJET-UHFFFAOYSA-N 2 1 295.390 2.247 20 0 CEADMP CCC(CC)(CC)C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000679996820 539485493 /nfs/dbraw/zinc/48/54/93/539485493.db2.gz CXJDSWSKYNLCLL-OAHLLOKOSA-N 2 1 297.487 2.380 20 0 CEADMP C[C@@H](CSCCF)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000595004246 345724844 /nfs/dbraw/zinc/72/48/44/345724844.db2.gz QLFPRGXJLVYTQP-NSHDSACASA-N 2 1 260.422 2.294 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCOCc2ccccc2)CC[N@H+]1C ZINC000156909707 232237480 /nfs/dbraw/zinc/23/74/80/232237480.db2.gz CPYTXYAIHLSUOI-ZBFHGGJFSA-N 2 1 262.397 2.276 20 0 CEADMP C[C@H]1CC[C@H](C[N@@H+](CCC[NH3+])Cc2ccccc2)O1 ZINC000230004127 539501995 /nfs/dbraw/zinc/50/19/95/539501995.db2.gz YLCGXDKTKUTKME-GOEBONIOSA-N 2 1 262.397 2.405 20 0 CEADMP COC(=O)c1coc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000596652810 346072071 /nfs/dbraw/zinc/07/20/71/346072071.db2.gz ICXLVGCDBYXFOF-CMPLNLGQSA-N 2 1 268.357 2.090 20 0 CEADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000062347724 362717440 /nfs/dbraw/zinc/71/74/40/362717440.db2.gz BQCFJGQTEFDAQS-GDBMZVCRSA-N 2 1 291.439 2.136 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000599036889 346450397 /nfs/dbraw/zinc/45/03/97/346450397.db2.gz YPJYZDBYNPWGEX-VXGQWTEUSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000599036889 346450398 /nfs/dbraw/zinc/45/03/98/346450398.db2.gz YPJYZDBYNPWGEX-VXGQWTEUSA-N 2 1 282.428 2.181 20 0 CEADMP CCOC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000336796582 365819319 /nfs/dbraw/zinc/81/93/19/365819319.db2.gz UIAIUJDAIPVRAC-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccccc1 ZINC000063199939 362760042 /nfs/dbraw/zinc/76/00/42/362760042.db2.gz YPOSDTAJPFMIJN-INIZCTEOSA-N 2 1 287.407 2.089 20 0 CEADMP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600168125 346612434 /nfs/dbraw/zinc/61/24/34/346612434.db2.gz FCDHTOBFKCVUJC-MJBXVCDLSA-N 2 1 282.428 2.181 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)O1 ZINC000336805557 365840697 /nfs/dbraw/zinc/84/06/97/365840697.db2.gz DPAFKFDCVAGHBX-BMFZPTHFSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)O1 ZINC000336805557 365840701 /nfs/dbraw/zinc/84/07/01/365840701.db2.gz DPAFKFDCVAGHBX-BMFZPTHFSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)O1 ZINC000336805557 365840705 /nfs/dbraw/zinc/84/07/05/365840705.db2.gz DPAFKFDCVAGHBX-BMFZPTHFSA-N 2 1 266.429 2.218 20 0 CEADMP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000129194518 365835287 /nfs/dbraw/zinc/83/52/87/365835287.db2.gz VSLILPFETIDYAO-DLBZAZTESA-N 2 1 288.435 2.400 20 0 CEADMP C[N@@H+](C[C@@H](O)CN1CC=C(C(C)(C)C)CC1)C1CC1 ZINC000336810326 365848475 /nfs/dbraw/zinc/84/84/75/365848475.db2.gz HOAJZALLEUQZOR-OAHLLOKOSA-N 2 1 266.429 2.120 20 0 CEADMP CN(C[C@@H](O)C[N@H+]1CC=C(C(C)(C)C)CC1)C1CC1 ZINC000336810326 365848477 /nfs/dbraw/zinc/84/84/77/365848477.db2.gz HOAJZALLEUQZOR-OAHLLOKOSA-N 2 1 266.429 2.120 20 0 CEADMP CN(C[C@@H](O)C[N@@H+]1CC=C(C(C)(C)C)CC1)C1CC1 ZINC000336810326 365848478 /nfs/dbraw/zinc/84/84/78/365848478.db2.gz HOAJZALLEUQZOR-OAHLLOKOSA-N 2 1 266.429 2.120 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC(C)(C(=O)OCC)C2)C1 ZINC000601264640 346805537 /nfs/dbraw/zinc/80/55/37/346805537.db2.gz BYRBJVMTPFYWAX-HLIUYOAVSA-N 2 1 282.428 2.040 20 0 CEADMP CCN(C#N)CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602813034 347210366 /nfs/dbraw/zinc/21/03/66/347210366.db2.gz WGPIOBSHZUFURK-CABCVRRESA-N 2 1 278.444 2.032 20 0 CEADMP CCN(C#N)CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000602813034 347210367 /nfs/dbraw/zinc/21/03/67/347210367.db2.gz WGPIOBSHZUFURK-CABCVRRESA-N 2 1 278.444 2.032 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351847562 219224133 /nfs/dbraw/zinc/22/41/33/219224133.db2.gz AMBAFARULLONBL-CHWSQXEVSA-N 2 1 280.437 2.456 20 0 CEADMP CCc1cccc(F)c1C[NH2+]C1(CCO)CCN(C)CC1 ZINC000568531993 299144524 /nfs/dbraw/zinc/14/45/24/299144524.db2.gz VXXVWAZXAKGBMA-UHFFFAOYSA-N 2 1 294.414 2.325 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000351856229 219228674 /nfs/dbraw/zinc/22/86/74/219228674.db2.gz UTVRRQUFIAUTAJ-JQWIXIFHSA-N 2 1 270.323 2.457 20 0 CEADMP COC(=O)C[C@@H]1CCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000611243483 347757865 /nfs/dbraw/zinc/75/78/65/347757865.db2.gz JHVIWKSBWSUWIG-HNNXBMFYSA-N 2 1 293.411 2.389 20 0 CEADMP COC(=O)C[C@@H]1CCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000611243483 347757866 /nfs/dbraw/zinc/75/78/66/347757866.db2.gz JHVIWKSBWSUWIG-HNNXBMFYSA-N 2 1 293.411 2.389 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000339347403 215111818 /nfs/dbraw/zinc/11/18/18/215111818.db2.gz AKXUSNPVUGCOBG-QGZVFWFLSA-N 2 1 274.408 2.110 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000339347403 215111820 /nfs/dbraw/zinc/11/18/20/215111820.db2.gz AKXUSNPVUGCOBG-QGZVFWFLSA-N 2 1 274.408 2.110 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCC[C@H]1O ZINC000336886451 365933703 /nfs/dbraw/zinc/93/37/03/365933703.db2.gz BVIGZLSKLNIKAQ-HRCADAONSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCC[C@H]1O ZINC000336886451 365933704 /nfs/dbraw/zinc/93/37/04/365933704.db2.gz BVIGZLSKLNIKAQ-HRCADAONSA-N 2 1 268.445 2.344 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000874840905 649849372 /nfs/dbraw/zinc/84/93/72/649849372.db2.gz RWSRYZCCGTXERY-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874840905 649849375 /nfs/dbraw/zinc/84/93/75/649849375.db2.gz RWSRYZCCGTXERY-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874840905 649849377 /nfs/dbraw/zinc/84/93/77/649849377.db2.gz RWSRYZCCGTXERY-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000614329032 348180369 /nfs/dbraw/zinc/18/03/69/348180369.db2.gz CSPMZQPDMSQFIU-KBPBESRZSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@]3(CCCOC3)C2)CC[NH2+]1 ZINC000414739135 297251677 /nfs/dbraw/zinc/25/16/77/297251677.db2.gz JXTFINYMRHKVQW-OWCLPIDISA-N 2 1 266.429 2.267 20 0 CEADMP Fc1cccc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357069146 233003853 /nfs/dbraw/zinc/00/38/53/233003853.db2.gz HIHPKIBCCJYIFP-CABCVRRESA-N 2 1 262.372 2.300 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cn3c(n2)CCCC3)CC1(C)C ZINC000623356365 349997291 /nfs/dbraw/zinc/99/72/91/349997291.db2.gz LNDVRKNBWMFWTP-AWEZNQCLSA-N 2 1 290.455 2.224 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623361816 349998999 /nfs/dbraw/zinc/99/89/99/349998999.db2.gz QOUTYQFYDSOSIS-LBPRGKRZSA-N 2 1 297.393 2.462 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623361816 349999002 /nfs/dbraw/zinc/99/90/02/349999002.db2.gz QOUTYQFYDSOSIS-LBPRGKRZSA-N 2 1 297.393 2.462 20 0 CEADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339077057 539658125 /nfs/dbraw/zinc/65/81/25/539658125.db2.gz YVUTXZYTEDZUFF-KFWWJZLASA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000339065972 539659343 /nfs/dbraw/zinc/65/93/43/539659343.db2.gz CUDAAYLGWXUKBR-IKGGRYGDSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CC1=CCCCC1 ZINC000617505579 348718792 /nfs/dbraw/zinc/71/87/92/348718792.db2.gz ISEAPDAZNFKLKX-HNNXBMFYSA-N 2 1 295.471 2.265 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CC1=CCCCC1 ZINC000617505579 348718794 /nfs/dbraw/zinc/71/87/94/348718794.db2.gz ISEAPDAZNFKLKX-HNNXBMFYSA-N 2 1 295.471 2.265 20 0 CEADMP Cc1ccsc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617503542 348718957 /nfs/dbraw/zinc/71/89/57/348718957.db2.gz NWCMFAASLVLODV-ZDUSSCGKSA-N 2 1 297.468 2.058 20 0 CEADMP Cc1ccsc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617503542 348718958 /nfs/dbraw/zinc/71/89/58/348718958.db2.gz NWCMFAASLVLODV-ZDUSSCGKSA-N 2 1 297.468 2.058 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@H](C)C[N@H+](C)C(C)C)n1 ZINC000357564267 233097220 /nfs/dbraw/zinc/09/72/20/233097220.db2.gz JDFZFERQXKZZIY-GFCCVEGCSA-N 2 1 288.399 2.111 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@H](C)C[N@@H+](C)C(C)C)n1 ZINC000357564267 233097221 /nfs/dbraw/zinc/09/72/21/233097221.db2.gz JDFZFERQXKZZIY-GFCCVEGCSA-N 2 1 288.399 2.111 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400471813 233179996 /nfs/dbraw/zinc/17/99/96/233179996.db2.gz YFHUSAJFJOSVCU-BFYDXBDKSA-N 2 1 275.440 2.237 20 0 CEADMP FC(F)(F)[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000089749550 539731265 /nfs/dbraw/zinc/73/12/65/539731265.db2.gz PKEFWOHKLITUSZ-WDEREUQCSA-N 2 1 250.308 2.260 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOC2CCCC2)CC1(C)C ZINC000623381251 350005104 /nfs/dbraw/zinc/00/51/04/350005104.db2.gz JOASVPMKJLUDQH-ZDUSSCGKSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623381666 350005645 /nfs/dbraw/zinc/00/56/45/350005645.db2.gz ADRIFPPEBGQENX-WDEREUQCSA-N 2 1 282.350 2.416 20 0 CEADMP Cc1noc(C)c1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623409733 350012168 /nfs/dbraw/zinc/01/21/68/350012168.db2.gz MWJIDVXWUDTNQK-ZDUSSCGKSA-N 2 1 265.401 2.296 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000352052629 219303640 /nfs/dbraw/zinc/30/36/40/219303640.db2.gz MVHNTRBSYTUHJJ-JYJNAYRXSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1cccn2c(CNC[C@H]3CCCC[N@H+](C)C3)cnc12 ZINC000623655780 350075192 /nfs/dbraw/zinc/07/51/92/350075192.db2.gz FDZDUKKBAYLJON-OAHLLOKOSA-N 2 1 286.423 2.464 20 0 CEADMP Cc1cccn2c(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)cnc12 ZINC000623655780 350075194 /nfs/dbraw/zinc/07/51/94/350075194.db2.gz FDZDUKKBAYLJON-OAHLLOKOSA-N 2 1 286.423 2.464 20 0 CEADMP Cc1cccn2c(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)cnc12 ZINC000623655780 350075195 /nfs/dbraw/zinc/07/51/95/350075195.db2.gz FDZDUKKBAYLJON-OAHLLOKOSA-N 2 1 286.423 2.464 20 0 CEADMP C[N@H+]1CC[C@@H](N[C@@H](CC(N)=O)c2ccccc2)CC1(C)C ZINC000623533826 350043341 /nfs/dbraw/zinc/04/33/41/350043341.db2.gz NULMZEXIDDZUHD-CABCVRRESA-N 2 1 289.423 2.066 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CC(N)=O)c2ccccc2)CC1(C)C ZINC000623533826 350043349 /nfs/dbraw/zinc/04/33/49/350043349.db2.gz NULMZEXIDDZUHD-CABCVRRESA-N 2 1 289.423 2.066 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CO)cc2)CC1(C)C ZINC000623557105 350049660 /nfs/dbraw/zinc/04/96/60/350049660.db2.gz KXQZGXDAMBSZOL-OAHLLOKOSA-N 2 1 262.397 2.141 20 0 CEADMP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623562885 350051362 /nfs/dbraw/zinc/05/13/62/350051362.db2.gz GWMYXWDYWGGWLR-CAOSSQGBSA-N 2 1 298.471 2.015 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623561263 350051717 /nfs/dbraw/zinc/05/17/17/350051717.db2.gz HJWLBZIIBZNXGL-UKRRQHHQSA-N 2 1 261.413 2.475 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)CC1(C)C ZINC000623562995 350052110 /nfs/dbraw/zinc/05/21/10/350052110.db2.gz KOFLQKOIKHTAAM-UONOGXRCSA-N 2 1 267.461 2.322 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC000623562995 350052115 /nfs/dbraw/zinc/05/21/15/350052115.db2.gz KOFLQKOIKHTAAM-UONOGXRCSA-N 2 1 267.461 2.322 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000623562995 350052118 /nfs/dbraw/zinc/05/21/18/350052118.db2.gz KOFLQKOIKHTAAM-UONOGXRCSA-N 2 1 267.461 2.322 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000090585485 180009175 /nfs/dbraw/zinc/00/91/75/180009175.db2.gz GFPXHVWURSTOSY-GJZGRUSLSA-N 2 1 278.444 2.439 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000090585485 180009177 /nfs/dbraw/zinc/00/91/77/180009177.db2.gz GFPXHVWURSTOSY-GJZGRUSLSA-N 2 1 278.444 2.439 20 0 CEADMP CC(C)OCCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918319 186088485 /nfs/dbraw/zinc/08/84/85/186088485.db2.gz UDGAMEXXUTZLHX-UHFFFAOYSA-N 2 1 279.428 2.490 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC000107368989 186171688 /nfs/dbraw/zinc/17/16/88/186171688.db2.gz VMTYNXCNHKBMGO-INIZCTEOSA-N 2 1 291.414 2.038 20 0 CEADMP c1ccc(CN2CCC([NH2+]C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000107788585 186191159 /nfs/dbraw/zinc/19/11/59/186191159.db2.gz HXAYONADWHZLIB-QGZVFWFLSA-N 2 1 287.451 2.240 20 0 CEADMP COc1ccccc1[C@@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000130514932 365964838 /nfs/dbraw/zinc/96/48/38/365964838.db2.gz LZIIORQBOXPGEW-CLWVCHIJSA-N 2 1 292.423 2.047 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000568977395 299171252 /nfs/dbraw/zinc/17/12/52/299171252.db2.gz YDZYXPWSVXTIND-MAUKXSAKSA-N 2 1 288.435 2.220 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000110371069 186294961 /nfs/dbraw/zinc/29/49/61/186294961.db2.gz MKRAYROFNFKGGY-QGZVFWFLSA-N 2 1 279.472 2.326 20 0 CEADMP C(CC1CC[NH2+]CC1)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000110371069 186294962 /nfs/dbraw/zinc/29/49/62/186294962.db2.gz MKRAYROFNFKGGY-QGZVFWFLSA-N 2 1 279.472 2.326 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000130899056 366003433 /nfs/dbraw/zinc/00/34/33/366003433.db2.gz QSPRREOLNBFPGD-QWHCGFSZSA-N 2 1 278.396 2.354 20 0 CEADMP C[NH+](C)C1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000628140183 350975791 /nfs/dbraw/zinc/97/57/91/350975791.db2.gz CCZZKOKZMOFRTB-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP Cc1nc(C)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)o1 ZINC000628308757 351055011 /nfs/dbraw/zinc/05/50/11/351055011.db2.gz IIHCVOKSIRUNPJ-CYBMUJFWSA-N 2 1 251.374 2.113 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C12CCCC2 ZINC000629543546 351404911 /nfs/dbraw/zinc/40/49/11/351404911.db2.gz BUYYXRDKNRAVGU-DGAVXFQQSA-N 2 1 252.402 2.064 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(O)ccc1Cl ZINC000629516716 351385523 /nfs/dbraw/zinc/38/55/23/351385523.db2.gz NGOBNTMZCMPAON-VHSXEESVSA-N 2 1 254.761 2.215 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(O)ccc1Cl ZINC000629516716 351385529 /nfs/dbraw/zinc/38/55/29/351385529.db2.gz NGOBNTMZCMPAON-VHSXEESVSA-N 2 1 254.761 2.215 20 0 CEADMP CCc1nc2c(s1)[C@H]([NH2+]CC1([NH3+])CCOCC1)CCC2 ZINC000629521675 351387178 /nfs/dbraw/zinc/38/71/78/351387178.db2.gz QYGKGENNRQFCSO-LLVKDONJSA-N 2 1 295.452 2.180 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629406641 351353460 /nfs/dbraw/zinc/35/34/60/351353460.db2.gz PSMDYDMLSCKUKJ-DVOMOZLQSA-N 2 1 262.397 2.356 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629647344 351446368 /nfs/dbraw/zinc/44/63/68/351446368.db2.gz RCNMVIIXGOVMSY-IUODEOHRSA-N 2 1 258.365 2.132 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2=Cc3ccccc3OC2)CC[NH2+]1 ZINC000629648887 351447433 /nfs/dbraw/zinc/44/74/33/351447433.db2.gz BNCXCSNXESIWHH-SWLSCSKDSA-N 2 1 258.365 2.193 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000629650520 351448817 /nfs/dbraw/zinc/44/88/17/351448817.db2.gz VHTJCBUXUKUKMZ-DOMZBBRYSA-N 2 1 258.365 2.274 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000629650520 351448823 /nfs/dbraw/zinc/44/88/23/351448823.db2.gz VHTJCBUXUKUKMZ-DOMZBBRYSA-N 2 1 258.365 2.274 20 0 CEADMP COc1ccccc1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629665791 351458038 /nfs/dbraw/zinc/45/80/38/351458038.db2.gz OXCKYEZJOBKWHG-IYBDPMFKSA-N 2 1 260.381 2.127 20 0 CEADMP COc1ccccc1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629665791 351458040 /nfs/dbraw/zinc/45/80/40/351458040.db2.gz OXCKYEZJOBKWHG-IYBDPMFKSA-N 2 1 260.381 2.127 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1cccc(Cl)c1F ZINC000629569381 351417420 /nfs/dbraw/zinc/41/74/20/351417420.db2.gz BOXWIPDZSDEBIP-UHFFFAOYSA-N 2 1 274.767 2.147 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(Cl)c1F ZINC000629569381 351417426 /nfs/dbraw/zinc/41/74/26/351417426.db2.gz BOXWIPDZSDEBIP-UHFFFAOYSA-N 2 1 274.767 2.147 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000629588444 351424243 /nfs/dbraw/zinc/42/42/43/351424243.db2.gz HVSJFILGEYDICI-BRSBDYLESA-N 2 1 288.435 2.258 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000629588444 351424246 /nfs/dbraw/zinc/42/42/46/351424246.db2.gz HVSJFILGEYDICI-BRSBDYLESA-N 2 1 288.435 2.258 20 0 CEADMP CCN(C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)C1CCCCC1 ZINC000070170476 363043935 /nfs/dbraw/zinc/04/39/35/363043935.db2.gz CFEDQJDFLRTTGW-HNNXBMFYSA-N 2 1 295.471 2.228 20 0 CEADMP Cc1ccc2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cn2c1 ZINC000070170969 363044752 /nfs/dbraw/zinc/04/47/52/363044752.db2.gz MSUWTWOFYZOZOU-AWEZNQCLSA-N 2 1 272.396 2.204 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000070174518 363048617 /nfs/dbraw/zinc/04/86/17/363048617.db2.gz YHHSZRUITHUKMJ-HUUCEWRRSA-N 2 1 262.397 2.433 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000630072440 351602396 /nfs/dbraw/zinc/60/23/96/351602396.db2.gz FETDXMXAVDFBCX-UHFFFAOYSA-N 2 1 276.424 2.485 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000339844510 215359835 /nfs/dbraw/zinc/35/98/35/215359835.db2.gz MWNZSPYIUQMGRC-UHFFFAOYSA-N 2 1 289.423 2.459 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1F ZINC000131565135 366065624 /nfs/dbraw/zinc/06/56/24/366065624.db2.gz WVIUHNBZMAGBAA-PWSUYJOCSA-N 2 1 252.333 2.003 20 0 CEADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1F ZINC000131565135 366065628 /nfs/dbraw/zinc/06/56/28/366065628.db2.gz WVIUHNBZMAGBAA-PWSUYJOCSA-N 2 1 252.333 2.003 20 0 CEADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000131432513 366053234 /nfs/dbraw/zinc/05/32/34/366053234.db2.gz FKFIMTZQPDGPDT-KRWDZBQOSA-N 2 1 278.440 2.386 20 0 CEADMP CC(C)C[C@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678350409 539824172 /nfs/dbraw/zinc/82/41/72/539824172.db2.gz WHRXORGAFXICMJ-JKSUJKDBSA-N 2 1 267.461 2.133 20 0 CEADMP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1)[NH+](C)C ZINC000122505321 187035599 /nfs/dbraw/zinc/03/55/99/187035599.db2.gz QFVZKSVGYMPUGG-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCC2)c2ccccc21 ZINC000123738541 187106591 /nfs/dbraw/zinc/10/65/91/187106591.db2.gz WYNGHSNTOBLCEM-HZPDHXFCSA-N 2 1 287.407 2.123 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291972725 198122000 /nfs/dbraw/zinc/12/20/00/198122000.db2.gz VUHLELKFYKPQHG-GOSISDBHSA-N 2 1 290.451 2.354 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291972725 198122002 /nfs/dbraw/zinc/12/20/02/198122002.db2.gz VUHLELKFYKPQHG-GOSISDBHSA-N 2 1 290.451 2.354 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(F)c3ccccc23)C1 ZINC000631110831 351967910 /nfs/dbraw/zinc/96/79/10/351967910.db2.gz FAASHBJZRKPZJG-KRWDZBQOSA-N 2 1 288.366 2.135 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(F)c3ccccc23)C1 ZINC000631110831 351967913 /nfs/dbraw/zinc/96/79/13/351967913.db2.gz FAASHBJZRKPZJG-KRWDZBQOSA-N 2 1 288.366 2.135 20 0 CEADMP COCCc1ncc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000631157897 351992134 /nfs/dbraw/zinc/99/21/34/351992134.db2.gz ITOORVNKXPYJOD-CYBMUJFWSA-N 2 1 297.468 2.154 20 0 CEADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@H]1CC1(C)C ZINC000487272300 290339478 /nfs/dbraw/zinc/33/94/78/290339478.db2.gz LZBBRCHVNCVUAT-QWHCGFSZSA-N 2 1 254.418 2.121 20 0 CEADMP COCC(C)(C)C[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000494371636 290971333 /nfs/dbraw/zinc/97/13/33/290971333.db2.gz SVMFJUFGRVCXNS-AWEZNQCLSA-N 2 1 256.434 2.369 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000250833805 539969523 /nfs/dbraw/zinc/96/95/23/539969523.db2.gz GYPFZSNREGGYKG-GXTWGEPZSA-N 2 1 265.426 2.416 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000250833805 539969528 /nfs/dbraw/zinc/96/95/28/539969528.db2.gz GYPFZSNREGGYKG-GXTWGEPZSA-N 2 1 265.426 2.416 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000131763345 366085948 /nfs/dbraw/zinc/08/59/48/366085948.db2.gz GBGSMKCVGPAMIL-KGLIPLIRSA-N 2 1 270.380 2.041 20 0 CEADMP CC[C@@H]1C[N@@H+](CCc2scnc2C)CC[C@H]1[NH3+] ZINC000251822491 539992900 /nfs/dbraw/zinc/99/29/00/539992900.db2.gz PIRUFVGNKAQTJU-VXGBXAGGSA-N 2 1 253.415 2.053 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC[C@H]1[NH3+] ZINC000251806081 539992340 /nfs/dbraw/zinc/99/23/40/539992340.db2.gz OIXHHOVFGINOMZ-DZGCQCFKSA-N 2 1 260.381 2.181 20 0 CEADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2)CC[C@H]1[NH3+] ZINC000251905285 539994402 /nfs/dbraw/zinc/99/44/02/539994402.db2.gz XFWIDAJRHXONHP-DZGCQCFKSA-N 2 1 275.396 2.074 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccncc1 ZINC000156673219 188275928 /nfs/dbraw/zinc/27/59/28/188275928.db2.gz JBLDCXWIBBZUSZ-CABCVRRESA-N 2 1 289.423 2.233 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1O ZINC000252419003 540003403 /nfs/dbraw/zinc/00/34/03/540003403.db2.gz XRZLJLCQWRRDPF-LSDHHAIUSA-N 2 1 290.407 2.365 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1O ZINC000252419003 540003406 /nfs/dbraw/zinc/00/34/06/540003406.db2.gz XRZLJLCQWRRDPF-LSDHHAIUSA-N 2 1 290.407 2.365 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000252649314 540006559 /nfs/dbraw/zinc/00/65/59/540006559.db2.gz WSMPQRNVVQTZTB-ZIAGYGMSSA-N 2 1 275.396 2.060 20 0 CEADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000494926606 291005540 /nfs/dbraw/zinc/00/55/40/291005540.db2.gz UVPWJIGWGAVJSI-KBPBESRZSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000494926606 291005543 /nfs/dbraw/zinc/00/55/43/291005543.db2.gz UVPWJIGWGAVJSI-KBPBESRZSA-N 2 1 295.471 2.144 20 0 CEADMP CCOc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000132215596 366126231 /nfs/dbraw/zinc/12/62/31/366126231.db2.gz JWUPAUQBEDTAAH-UHFFFAOYSA-N 2 1 277.412 2.254 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000309914913 540014718 /nfs/dbraw/zinc/01/47/18/540014718.db2.gz UAOBHXUXTOGDEI-GOEBONIOSA-N 2 1 262.397 2.262 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC12CCC2 ZINC000337510142 366158037 /nfs/dbraw/zinc/15/80/37/366158037.db2.gz IJOYLXMLEYROJC-HUUCEWRRSA-N 2 1 266.429 2.146 20 0 CEADMP CCC(CC)[C@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000133126283 366197039 /nfs/dbraw/zinc/19/70/39/366197039.db2.gz WOXSDLFXQMOKEX-IMJJTQAJSA-N 2 1 269.477 2.283 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C ZINC000451604293 283048148 /nfs/dbraw/zinc/04/81/48/283048148.db2.gz YICZQJVHXTZYMD-JKSUJKDBSA-N 2 1 281.444 2.460 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1)O[C@H](C)C2 ZINC000159096003 540069920 /nfs/dbraw/zinc/06/99/20/540069920.db2.gz ZXBYRZCHIHXPAQ-JMSVASOKSA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)O[C@H](C)C2 ZINC000159096003 540069924 /nfs/dbraw/zinc/06/99/24/540069924.db2.gz ZXBYRZCHIHXPAQ-JMSVASOKSA-N 2 1 290.407 2.188 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000379023040 540113929 /nfs/dbraw/zinc/11/39/29/540113929.db2.gz BNVVRVBMGDLBNK-IXDOHACOSA-N 2 1 274.408 2.306 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000380939920 540136901 /nfs/dbraw/zinc/13/69/01/540136901.db2.gz LZYWUMAOXUUYOB-HNNXBMFYSA-N 2 1 262.397 2.264 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000451882535 283133791 /nfs/dbraw/zinc/13/37/91/283133791.db2.gz ADKYVFXLDLBBAT-UKRRQHHQSA-N 2 1 264.417 2.428 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000451882535 283133795 /nfs/dbraw/zinc/13/37/95/283133795.db2.gz ADKYVFXLDLBBAT-UKRRQHHQSA-N 2 1 264.417 2.428 20 0 CEADMP C[C@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)C[N@H+]1C1CC1 ZINC000352748177 291082858 /nfs/dbraw/zinc/08/28/58/291082858.db2.gz JCIDKAZXNSQXIL-DZGCQCFKSA-N 2 1 277.456 2.218 20 0 CEADMP CC(C)C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338273556 366264185 /nfs/dbraw/zinc/26/41/85/366264185.db2.gz GJOBLRJZJLXGDF-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338273556 366264189 /nfs/dbraw/zinc/26/41/89/366264189.db2.gz GJOBLRJZJLXGDF-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCn1nc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000414925749 540247659 /nfs/dbraw/zinc/24/76/59/540247659.db2.gz MAIYMWJAXOAAPR-STQMWFEESA-N 2 1 272.396 2.416 20 0 CEADMP CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338278844 366268980 /nfs/dbraw/zinc/26/89/80/366268980.db2.gz OSLAXOOTYLIRJR-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@@H](C)[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338278844 366268988 /nfs/dbraw/zinc/26/89/88/366268988.db2.gz OSLAXOOTYLIRJR-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338344932 366307101 /nfs/dbraw/zinc/30/71/01/366307101.db2.gz LSMMVKYKOQVIRP-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338344932 366307108 /nfs/dbraw/zinc/30/71/08/366307108.db2.gz LSMMVKYKOQVIRP-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2CCCC[NH+]2C2CC2)[C@@H](C)C1 ZINC000570273787 299250803 /nfs/dbraw/zinc/25/08/03/299250803.db2.gz XIQWGFFZDWXSBH-UAGQMJEPSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCCC[N@@H+]2C2CC2)[C@@H](C)C1 ZINC000570273787 299250807 /nfs/dbraw/zinc/25/08/07/299250807.db2.gz XIQWGFFZDWXSBH-UAGQMJEPSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCCC[N@H+]2C2CC2)[C@@H](C)C1 ZINC000570273787 299250810 /nfs/dbraw/zinc/25/08/10/299250810.db2.gz XIQWGFFZDWXSBH-UAGQMJEPSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2C2CC2)[C@@H](C)C1 ZINC000570273787 299250814 /nfs/dbraw/zinc/25/08/14/299250814.db2.gz XIQWGFFZDWXSBH-UAGQMJEPSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2C2CC2)[C@@H](C)C1 ZINC000570273787 299250816 /nfs/dbraw/zinc/25/08/16/299250816.db2.gz XIQWGFFZDWXSBH-UAGQMJEPSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)CCC[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000338437693 366358793 /nfs/dbraw/zinc/35/87/93/366358793.db2.gz PIGVLJGOTWTMMD-OAHLLOKOSA-N 2 1 256.434 2.249 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668228654 538748618 /nfs/dbraw/zinc/74/86/18/538748618.db2.gz OIBPFKBLWGAXSZ-MRXNPFEDSA-N 2 1 299.422 2.182 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348099595 538845322 /nfs/dbraw/zinc/84/53/22/538845322.db2.gz BWXMFEFAENQNLA-IAGOWNOFSA-N 2 1 279.472 2.038 20 0 CEADMP Cc1ncc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)n1C ZINC000668271741 538860349 /nfs/dbraw/zinc/86/03/49/538860349.db2.gz NEJPNLCVQDDVRM-INIZCTEOSA-N 2 1 271.364 2.382 20 0 CEADMP Cc1ncc(CN2CC[C@H](Oc3ccccc3)C2)n1C ZINC000668271741 538860353 /nfs/dbraw/zinc/86/03/53/538860353.db2.gz NEJPNLCVQDDVRM-INIZCTEOSA-N 2 1 271.364 2.382 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC1(C)CCC1 ZINC000432777379 538895715 /nfs/dbraw/zinc/89/57/15/538895715.db2.gz UQEAXHFSXUZMIR-RBSFLKMASA-N 2 1 266.429 2.360 20 0 CEADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C[C@H]1CCCCO1 ZINC000261581308 283279879 /nfs/dbraw/zinc/27/98/79/283279879.db2.gz QOJBKVKGDGHIJG-HUUCEWRRSA-N 2 1 254.418 2.267 20 0 CEADMP CC(C)(C)[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)CC1 ZINC000079342842 363590776 /nfs/dbraw/zinc/59/07/76/363590776.db2.gz QCPQDDQCSZWROE-HNNXBMFYSA-N 2 1 267.461 2.040 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH3+])o1 ZINC000166370512 540339138 /nfs/dbraw/zinc/33/91/38/540339138.db2.gz ZQBRDYDFBRESDU-ZDUSSCGKSA-N 2 1 293.411 2.123 20 0 CEADMP Cc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cs1 ZINC000294580193 199094767 /nfs/dbraw/zinc/09/47/67/199094767.db2.gz QBXPNHLDBKDGLU-UHFFFAOYSA-N 2 1 293.480 2.270 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(=O)N(C)C ZINC000357845287 299273627 /nfs/dbraw/zinc/27/36/27/299273627.db2.gz HFFGMAGIUPXSCE-YCPHGPKFSA-N 2 1 295.471 2.096 20 0 CEADMP COCCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000079435943 363600532 /nfs/dbraw/zinc/60/05/32/363600532.db2.gz JOZITPVKSQEUGX-QGZVFWFLSA-N 2 1 298.471 2.093 20 0 CEADMP COCCOCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000079435943 363600538 /nfs/dbraw/zinc/60/05/38/363600538.db2.gz JOZITPVKSQEUGX-QGZVFWFLSA-N 2 1 298.471 2.093 20 0 CEADMP C[N@@H+](C[C@@H](O)CN[C@H]1CCCc2c(F)cccc21)C1CC1 ZINC000577722593 366387411 /nfs/dbraw/zinc/38/74/11/366387411.db2.gz VICUNJOHHKGPER-GUYCJALGSA-N 2 1 292.398 2.248 20 0 CEADMP CN(C[C@@H](O)C[NH2+][C@H]1CCCc2c(F)cccc21)C1CC1 ZINC000577722593 366387417 /nfs/dbraw/zinc/38/74/17/366387417.db2.gz VICUNJOHHKGPER-GUYCJALGSA-N 2 1 292.398 2.248 20 0 CEADMP C[C@]1(C[NH2+]Cc2cnn(-c3ccccc3)c2)CCC[NH2+]C1 ZINC000414913360 236553825 /nfs/dbraw/zinc/55/38/25/236553825.db2.gz WNARAPLOKPYKKD-KRWDZBQOSA-N 2 1 284.407 2.352 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@@H](O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294846659 199211314 /nfs/dbraw/zinc/21/13/14/199211314.db2.gz NASJJVRGNDRAKN-PQEBFOHHSA-N 2 1 274.408 2.010 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cn(-c2ccccc2)nn1 ZINC000570827078 299280681 /nfs/dbraw/zinc/28/06/81/299280681.db2.gz OKJTVTVHGCSPMD-MELADBBJSA-N 2 1 285.395 2.188 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000294930341 199256165 /nfs/dbraw/zinc/25/61/65/199256165.db2.gz BDOGACPJUYOAJZ-LSDHHAIUSA-N 2 1 291.439 2.011 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCN2Cc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000671744342 540497531 /nfs/dbraw/zinc/49/75/31/540497531.db2.gz SMNQGQBILYHVPT-FHWLQOOXSA-N 2 1 299.462 2.465 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CCCCC2)[C@@H]2CCC[C@H]21 ZINC000671753035 540501724 /nfs/dbraw/zinc/50/17/24/540501724.db2.gz WAPWHODWOQXYEE-HRCADAONSA-N 2 1 280.456 2.392 20 0 CEADMP CO[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)CC(C)C ZINC000417355855 237093745 /nfs/dbraw/zinc/09/37/45/237093745.db2.gz FVDBGEBDUNPDEO-HNNXBMFYSA-N 2 1 254.418 2.264 20 0 CEADMP c1cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667682075 540518860 /nfs/dbraw/zinc/51/88/60/540518860.db2.gz ZNTGYAUHZPJZAL-LSDHHAIUSA-N 2 1 298.390 2.126 20 0 CEADMP c1cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667682075 540518862 /nfs/dbraw/zinc/51/88/62/540518862.db2.gz ZNTGYAUHZPJZAL-LSDHHAIUSA-N 2 1 298.390 2.126 20 0 CEADMP CCOC[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667686460 540519355 /nfs/dbraw/zinc/51/93/55/540519355.db2.gz GJJWVYBOUKWSHR-CQSZACIVSA-N 2 1 286.379 2.126 20 0 CEADMP c1ccc2c(c1)OC[C@H]2C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297409133 200179698 /nfs/dbraw/zinc/17/96/98/200179698.db2.gz LECXISSTNCDIOM-CYBMUJFWSA-N 2 1 272.392 2.379 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000414805090 283495732 /nfs/dbraw/zinc/49/57/32/283495732.db2.gz LSJXOHDOGHQIMN-VWYCJHECSA-N 2 1 250.308 2.434 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCN(C)Cc1ccccc1 ZINC000151029444 366613707 /nfs/dbraw/zinc/61/37/07/366613707.db2.gz RQGNEONWPNSZJR-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC[NH+](C)Cc1ccccc1 ZINC000151029444 366613712 /nfs/dbraw/zinc/61/37/12/366613712.db2.gz RQGNEONWPNSZJR-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC[NH+](C)Cc1ccccc1 ZINC000151029444 366613714 /nfs/dbraw/zinc/61/37/14/366613714.db2.gz RQGNEONWPNSZJR-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NCC[N@H+](C)Cc1ccccc1 ZINC000151029444 366613720 /nfs/dbraw/zinc/61/37/20/366613720.db2.gz RQGNEONWPNSZJR-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NCC[N@@H+](C)Cc1ccccc1 ZINC000151029444 366613725 /nfs/dbraw/zinc/61/37/25/366613725.db2.gz RQGNEONWPNSZJR-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC000338972303 366596669 /nfs/dbraw/zinc/59/66/69/366596669.db2.gz HLTISYKYYYBCMJ-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H](CC(N)=O)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000341963088 216169369 /nfs/dbraw/zinc/16/93/69/216169369.db2.gz JLJZJHQKQCZJDC-ZIAGYGMSSA-N 2 1 289.423 2.066 20 0 CEADMP c1nc2c([nH]1)CC[C@@H]([NH2+]Cc1ccc3nccnc3c1)C2 ZINC000634981893 360598479 /nfs/dbraw/zinc/59/84/79/360598479.db2.gz VXLAIEIANQBOBG-GFCCVEGCSA-N 2 1 279.347 2.000 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000178232839 189099557 /nfs/dbraw/zinc/09/95/57/189099557.db2.gz XKGMFBGSAOABOM-PBHICJAKSA-N 2 1 288.435 2.484 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000571520659 299313540 /nfs/dbraw/zinc/31/35/40/299313540.db2.gz IABFJLDLVWFKLO-CQSZACIVSA-N 2 1 281.444 2.027 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000178742552 189142232 /nfs/dbraw/zinc/14/22/32/189142232.db2.gz RRKPCRCYZBXALS-CKEIUWERSA-N 2 1 299.422 2.086 20 0 CEADMP COC(C)(C)C[NH+](C)C/C=C\C[N@H+](C)CC(C)(C)OC ZINC000675199922 540816017 /nfs/dbraw/zinc/81/60/17/540816017.db2.gz LYHOEBLUPCBYMI-KTKRTIGZSA-N 2 1 286.460 2.256 20 0 CEADMP C[N@@H+](CCc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC000178960378 189157731 /nfs/dbraw/zinc/15/77/31/189157731.db2.gz VORMGSCAMHNFPA-UHFFFAOYSA-N 2 1 250.361 2.300 20 0 CEADMP [NH3+]C1(C[NH2+]CCOc2cccc(Cl)c2)CCC1 ZINC000342128552 216230018 /nfs/dbraw/zinc/23/00/18/216230018.db2.gz LBEYQPMVKDPYJR-UHFFFAOYSA-N 2 1 254.761 2.190 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@@H]21 ZINC000342142551 216237100 /nfs/dbraw/zinc/23/71/00/216237100.db2.gz VNXPDBGHGUGYRT-VBNZEHGJSA-N 2 1 278.371 2.264 20 0 CEADMP C[C@@H]([NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCOCC1 ZINC000675749112 540871257 /nfs/dbraw/zinc/87/12/57/540871257.db2.gz QTRZUWYKSJPZHM-RBSFLKMASA-N 2 1 268.445 2.369 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675883085 540878705 /nfs/dbraw/zinc/87/87/05/540878705.db2.gz WGWRRCYQCBBNCG-VYDXJSESSA-N 2 1 296.455 2.035 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC[C@H](F)C2)s1 ZINC000342290216 216294481 /nfs/dbraw/zinc/29/44/81/216294481.db2.gz WZKHWCZZWGHHIT-VHSXEESVSA-N 2 1 257.378 2.185 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@](C)(CO)c1ccccc1 ZINC000677817930 541046538 /nfs/dbraw/zinc/04/65/38/541046538.db2.gz RBWHGCOQLQOWGX-MRXNPFEDSA-N 2 1 273.380 2.079 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677819661 541047295 /nfs/dbraw/zinc/04/72/95/541047295.db2.gz JKSROUNOXNFIGN-UHFFFAOYSA-N 2 1 255.312 2.313 20 0 CEADMP CCCC[N@@H+](CCCO)CC[C@H]1CCCC[NH+]1C ZINC000342299323 216298721 /nfs/dbraw/zinc/29/87/21/216298721.db2.gz WGCJGFAULSJULB-OAHLLOKOSA-N 2 1 256.434 2.345 20 0 CEADMP CCCC[NH+](CCCO)CC[C@H]1CCCC[N@@H+]1C ZINC000342299323 216298724 /nfs/dbraw/zinc/29/87/24/216298724.db2.gz WGCJGFAULSJULB-OAHLLOKOSA-N 2 1 256.434 2.345 20 0 CEADMP CCCC[NH+](CCCO)CC[C@H]1CCCC[N@H+]1C ZINC000342299323 216298726 /nfs/dbraw/zinc/29/87/26/216298726.db2.gz WGCJGFAULSJULB-OAHLLOKOSA-N 2 1 256.434 2.345 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000153070486 366727075 /nfs/dbraw/zinc/72/70/75/366727075.db2.gz LQCCMKUGVZNOGL-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000237037619 370682431 /nfs/dbraw/zinc/68/24/31/370682431.db2.gz HRKPHMHAUJNMON-GJZGRUSLSA-N 2 1 297.487 2.377 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000153888456 366742321 /nfs/dbraw/zinc/74/23/21/366742321.db2.gz VTPVSEVKSZMSMO-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP COc1ccc([C@H](CCO)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000182415457 189322733 /nfs/dbraw/zinc/32/27/33/189322733.db2.gz QSTLSRAYQIQFPT-RDJZCZTQSA-N 2 1 292.423 2.193 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000581548828 366793153 /nfs/dbraw/zinc/79/31/53/366793153.db2.gz XLYLJSRXYZHBMG-KRWDZBQOSA-N 2 1 274.408 2.409 20 0 CEADMP COC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000340233650 366811048 /nfs/dbraw/zinc/81/10/48/366811048.db2.gz ZMEDXRFFYHDVNC-VXGBXAGGSA-N 2 1 253.390 2.231 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@H](O)CC1CCCC1)C1CC1 ZINC000581721613 366815000 /nfs/dbraw/zinc/81/50/00/366815000.db2.gz FXPJUTJNHJBTKI-MRXNPFEDSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)CC1CCCC1)C1CC1 ZINC000581721612 366814705 /nfs/dbraw/zinc/81/47/05/366814705.db2.gz FXPJUTJNHJBTKI-INIZCTEOSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C[NH3+])cc1 ZINC000019390431 361529758 /nfs/dbraw/zinc/52/97/58/361529758.db2.gz FZMHZJJERIMNRA-CQSZACIVSA-N 2 1 289.423 2.140 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)CCCCO)[N@@H+]1CCC[C@@H](C)C1 ZINC000679331853 541257451 /nfs/dbraw/zinc/25/74/51/541257451.db2.gz BWTDITMOHQCVRO-QLFBSQMISA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)CCCCO)[N@H+]1CCC[C@@H](C)C1 ZINC000679331853 541257454 /nfs/dbraw/zinc/25/74/54/541257454.db2.gz BWTDITMOHQCVRO-QLFBSQMISA-N 2 1 256.434 2.248 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@H](C)c2cn[nH]c2C)CC1 ZINC000679339793 541259408 /nfs/dbraw/zinc/25/94/08/541259408.db2.gz OVHKFOHLLVZBEP-LLVKDONJSA-N 2 1 250.390 2.101 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1ccc(Br)s1 ZINC000084628031 363816986 /nfs/dbraw/zinc/81/69/86/363816986.db2.gz HHFAXDWSKQMITJ-UHFFFAOYSA-N 2 1 263.204 2.291 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1ccc(Br)s1 ZINC000084628031 363816991 /nfs/dbraw/zinc/81/69/91/363816991.db2.gz HHFAXDWSKQMITJ-UHFFFAOYSA-N 2 1 263.204 2.291 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000087409898 363854405 /nfs/dbraw/zinc/85/44/05/363854405.db2.gz CYGFPGQVFYIDFG-CHWSQXEVSA-N 2 1 264.417 2.111 20 0 CEADMP CCOCC[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000679423167 541274543 /nfs/dbraw/zinc/27/45/43/541274543.db2.gz NLPIQPWJIVKTNN-UHFFFAOYSA-N 2 1 280.412 2.095 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(COC)c2)C1 ZINC000088555205 363908186 /nfs/dbraw/zinc/90/81/86/363908186.db2.gz OUAWZMJUIYLWKY-INIZCTEOSA-N 2 1 262.397 2.264 20 0 CEADMP COCCc1nc(C)c([C@H](C)[NH2+]CCC[NH+](C)C)s1 ZINC000092719791 364100691 /nfs/dbraw/zinc/10/06/91/364100691.db2.gz POVGLRKZFQZGQB-NSHDSACASA-N 2 1 285.457 2.243 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccs2)CC1 ZINC000093147065 364146610 /nfs/dbraw/zinc/14/66/10/364146610.db2.gz DQPHHJRUEJXESB-OAHLLOKOSA-N 2 1 293.480 2.350 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccs2)CC1 ZINC000093147065 364146613 /nfs/dbraw/zinc/14/66/13/364146613.db2.gz DQPHHJRUEJXESB-OAHLLOKOSA-N 2 1 293.480 2.350 20 0 CEADMP CC1=C[C@H](C)C[C@H](C[NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000356427354 370706527 /nfs/dbraw/zinc/70/65/27/370706527.db2.gz PBUWFHWUBSHYQB-HOCLYGCPSA-N 2 1 280.456 2.415 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CC2CC[NH2+]CC2)C1 ZINC000237720981 370748285 /nfs/dbraw/zinc/74/82/85/370748285.db2.gz KSVYPADBWOTIDC-HNNXBMFYSA-N 2 1 295.471 2.004 20 0 CEADMP C(CN1CCCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491210 364191207 /nfs/dbraw/zinc/19/12/07/364191207.db2.gz RQWOZTDPVLPIJD-IXDOHACOSA-N 2 1 279.472 2.373 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000094424045 364274181 /nfs/dbraw/zinc/27/41/81/364274181.db2.gz HXTJXHQYRUKPGT-CYBMUJFWSA-N 2 1 254.418 2.406 20 0 CEADMP COc1cccc(C[N@H+](C)CC(C)(C)C[NH3+])c1OC ZINC000093872921 364237234 /nfs/dbraw/zinc/23/72/34/364237234.db2.gz YILJFMBMBFCVRI-UHFFFAOYSA-N 2 1 266.385 2.121 20 0 CEADMP COc1cccc(C[N@@H+](C)CC(C)(C)C[NH3+])c1OC ZINC000093872921 364237240 /nfs/dbraw/zinc/23/72/40/364237240.db2.gz YILJFMBMBFCVRI-UHFFFAOYSA-N 2 1 266.385 2.121 20 0 CEADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(C(C)(C)C)n1 ZINC000093947562 364243643 /nfs/dbraw/zinc/24/36/43/364243643.db2.gz MSBDZRVHLRMFLN-ZDUSSCGKSA-N 2 1 290.455 2.292 20 0 CEADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C(C)(C)C)n1 ZINC000093947562 364243646 /nfs/dbraw/zinc/24/36/46/364243646.db2.gz MSBDZRVHLRMFLN-ZDUSSCGKSA-N 2 1 290.455 2.292 20 0 CEADMP C[N@H+](Cc1ccc(Cl)nc1)CC1CC[NH2+]CC1 ZINC000094024715 364248235 /nfs/dbraw/zinc/24/82/35/364248235.db2.gz AOVZYGVHARDKJH-UHFFFAOYSA-N 2 1 253.777 2.166 20 0 CEADMP CCC1(CC)CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000094803564 364298493 /nfs/dbraw/zinc/29/84/93/364298493.db2.gz NEDLOEBYPSLJPI-UHFFFAOYSA-N 2 1 266.389 2.276 20 0 CEADMP CCC1(CC)CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000094803564 364298498 /nfs/dbraw/zinc/29/84/98/364298498.db2.gz NEDLOEBYPSLJPI-UHFFFAOYSA-N 2 1 266.389 2.276 20 0 CEADMP Nc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000334978810 364302594 /nfs/dbraw/zinc/30/25/94/364302594.db2.gz AJLZHAKFKZKBLQ-HUUCEWRRSA-N 2 1 259.397 2.090 20 0 CEADMP CC1(C)C[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc21 ZINC000335032461 364379009 /nfs/dbraw/zinc/37/90/09/364379009.db2.gz YVDNNRMWXSURCR-CJNGLKHVSA-N 2 1 274.408 2.377 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000335035234 364383233 /nfs/dbraw/zinc/38/32/33/364383233.db2.gz SGSUYRLCHACDGS-HOTGVXAUSA-N 2 1 260.381 2.466 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342689918 216474530 /nfs/dbraw/zinc/47/45/30/216474530.db2.gz FYFPYDZVTRQHCD-OWCLPIDISA-N 2 1 295.471 2.145 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CC1([NH3+])CCCCCC1 ZINC000335058826 364413575 /nfs/dbraw/zinc/41/35/75/364413575.db2.gz KTMUMAQNFGRVNS-AWEZNQCLSA-N 2 1 276.428 2.439 20 0 CEADMP C[N@@H+](CCc1cscn1)CC[C@@H]1CCCC[NH+]1C ZINC000340277835 366830666 /nfs/dbraw/zinc/83/06/66/366830666.db2.gz MEORDDFGTGDCIY-AWEZNQCLSA-N 2 1 267.442 2.492 20 0 CEADMP C[N@H+](CCc1cscn1)CC[C@@H]1CCCC[NH+]1C ZINC000340277835 366830673 /nfs/dbraw/zinc/83/06/73/366830673.db2.gz MEORDDFGTGDCIY-AWEZNQCLSA-N 2 1 267.442 2.492 20 0 CEADMP C[NH+](CCc1cscn1)CC[C@@H]1CCCC[N@@H+]1C ZINC000340277835 366830676 /nfs/dbraw/zinc/83/06/76/366830676.db2.gz MEORDDFGTGDCIY-AWEZNQCLSA-N 2 1 267.442 2.492 20 0 CEADMP C[NH+](CCc1cscn1)CC[C@@H]1CCCC[N@H+]1C ZINC000340277835 366830682 /nfs/dbraw/zinc/83/06/82/366830682.db2.gz MEORDDFGTGDCIY-AWEZNQCLSA-N 2 1 267.442 2.492 20 0 CEADMP COCCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157264316 366842248 /nfs/dbraw/zinc/84/22/48/366842248.db2.gz UAYIWONTJRJLSX-HNNXBMFYSA-N 2 1 254.418 2.363 20 0 CEADMP C[C@H]1C[C@@H](NCC[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000157406571 366843762 /nfs/dbraw/zinc/84/37/62/366843762.db2.gz VWZKZXINANFUKL-GJZGRUSLSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@H]1C[C@@H](NCC[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000157406571 366843765 /nfs/dbraw/zinc/84/37/65/366843765.db2.gz VWZKZXINANFUKL-GJZGRUSLSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@H]1C[C@@H](NCC[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000157406571 366843767 /nfs/dbraw/zinc/84/37/67/366843767.db2.gz VWZKZXINANFUKL-GJZGRUSLSA-N 2 1 267.461 2.323 20 0 CEADMP Cc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)n(C)n1 ZINC000335224146 364650294 /nfs/dbraw/zinc/65/02/94/364650294.db2.gz NLTFXXIDHZOBSE-UHFFFAOYSA-N 2 1 264.417 2.127 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(F)c(F)c2)CC[NH2+]1 ZINC000335635949 212349487 /nfs/dbraw/zinc/34/94/87/212349487.db2.gz AQEXVLKIEAIGBN-PSASIEDQSA-N 2 1 258.287 2.334 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2c1 ZINC000335634517 212349142 /nfs/dbraw/zinc/34/91/42/212349142.db2.gz PGXOLXGKRHLRNU-CVEARBPZSA-N 2 1 298.434 2.464 20 0 CEADMP Cc1nc2c(s1)[C@H]([NH2+]C1CC[NH2+]CC1)CCC2 ZINC000335563823 364805606 /nfs/dbraw/zinc/80/56/06/364805606.db2.gz HISNOKXJSJDPJB-GFCCVEGCSA-N 2 1 251.399 2.171 20 0 CEADMP Oc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335637108 212351253 /nfs/dbraw/zinc/35/12/53/212351253.db2.gz WDVAZPNSKZRUHK-GJZGRUSLSA-N 2 1 260.381 2.214 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCOCC23CCCC3)CC[NH2+]1 ZINC000335649029 364818258 /nfs/dbraw/zinc/81/82/58/364818258.db2.gz BFJFMGBNAZXILH-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000335709619 364867245 /nfs/dbraw/zinc/86/72/45/364867245.db2.gz FYXXOGWADQECSX-IYBDPMFKSA-N 2 1 286.419 2.466 20 0 CEADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000335709619 364867248 /nfs/dbraw/zinc/86/72/48/364867248.db2.gz FYXXOGWADQECSX-IYBDPMFKSA-N 2 1 286.419 2.466 20 0 CEADMP Cc1ncsc1C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000113641812 364908232 /nfs/dbraw/zinc/90/82/32/364908232.db2.gz MKYCNNNYXMKWIC-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1=O ZINC000335608924 212320222 /nfs/dbraw/zinc/32/02/22/212320222.db2.gz DDXKSSPFZMMERO-JKSUJKDBSA-N 2 1 299.418 2.288 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000572189007 299351538 /nfs/dbraw/zinc/35/15/38/299351538.db2.gz ACAYMRDVEYUTEA-LLVKDONJSA-N 2 1 265.426 2.452 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000572189007 299351541 /nfs/dbraw/zinc/35/15/41/299351541.db2.gz ACAYMRDVEYUTEA-LLVKDONJSA-N 2 1 265.426 2.452 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccccc2C)C1 ZINC000572253894 299354656 /nfs/dbraw/zinc/35/46/56/299354656.db2.gz DUQNTYKOGMFWII-JKSUJKDBSA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000572253894 299354657 /nfs/dbraw/zinc/35/46/57/299354657.db2.gz DUQNTYKOGMFWII-JKSUJKDBSA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000572253894 299354659 /nfs/dbraw/zinc/35/46/59/299354659.db2.gz DUQNTYKOGMFWII-JKSUJKDBSA-N 2 1 276.424 2.097 20 0 CEADMP CO[C@@H](C[NH2+]CC1=CC[N@@H+](C)CC1)C1CCCC1 ZINC000638838341 370788087 /nfs/dbraw/zinc/78/80/87/370788087.db2.gz GPOCQASFHVBYDN-HNNXBMFYSA-N 2 1 252.402 2.043 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000356939501 370800561 /nfs/dbraw/zinc/80/05/61/370800561.db2.gz UNYWYGDOXLOJNF-ZNMIVQPWSA-N 2 1 295.471 2.238 20 0 CEADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)nc1 ZINC000335997939 365270933 /nfs/dbraw/zinc/27/09/33/365270933.db2.gz WMQQQCHZCACJCA-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)nc1 ZINC000335997939 365270937 /nfs/dbraw/zinc/27/09/37/365270937.db2.gz WMQQQCHZCACJCA-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)nc1 ZINC000335997939 365270939 /nfs/dbraw/zinc/27/09/39/365270939.db2.gz WMQQQCHZCACJCA-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP CSC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000335998749 365272399 /nfs/dbraw/zinc/27/23/99/365272399.db2.gz RHOLRSOGRXVZDS-STQMWFEESA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000335998749 365272400 /nfs/dbraw/zinc/27/24/00/365272400.db2.gz RHOLRSOGRXVZDS-STQMWFEESA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000335998749 365272402 /nfs/dbraw/zinc/27/24/02/365272402.db2.gz RHOLRSOGRXVZDS-STQMWFEESA-N 2 1 254.443 2.298 20 0 CEADMP C[C@@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2O)C[C@@H]1n1ccnc1 ZINC000119434315 365273750 /nfs/dbraw/zinc/27/37/50/365273750.db2.gz ACAYMIQYBQNOHF-KBXIAJHMSA-N 2 1 263.385 2.070 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCNC(=O)OC(C)(C)C ZINC000119765697 365322242 /nfs/dbraw/zinc/32/22/42/365322242.db2.gz GNFHDXIBLDKPSM-RDBSUJKOSA-N 2 1 299.459 2.220 20 0 CEADMP Cc1cccc(CC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000582178247 366873791 /nfs/dbraw/zinc/87/37/91/366873791.db2.gz QSAKYOPSIQNIIV-GOEBONIOSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cccc(CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000582178247 366873794 /nfs/dbraw/zinc/87/37/94/366873794.db2.gz QSAKYOPSIQNIIV-GOEBONIOSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cccc(CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000582178247 366873795 /nfs/dbraw/zinc/87/37/95/366873795.db2.gz QSAKYOPSIQNIIV-GOEBONIOSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cccc(CC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000582178247 366873798 /nfs/dbraw/zinc/87/37/98/366873798.db2.gz QSAKYOPSIQNIIV-GOEBONIOSA-N 2 1 261.413 2.347 20 0 CEADMP c1cnn(-c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)c1 ZINC000336106490 365416203 /nfs/dbraw/zinc/41/62/03/365416203.db2.gz ROBJUTCZKMOFKT-RDJZCZTQSA-N 2 1 282.391 2.056 20 0 CEADMP c1cnn(-c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)c1 ZINC000336106490 365416210 /nfs/dbraw/zinc/41/62/10/365416210.db2.gz ROBJUTCZKMOFKT-RDJZCZTQSA-N 2 1 282.391 2.056 20 0 CEADMP CC(C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000120634861 365452653 /nfs/dbraw/zinc/45/26/53/365452653.db2.gz QXCLCGPGGJSBRS-INIZCTEOSA-N 2 1 262.397 2.141 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CC2=CCCOC2)C1 ZINC000120809172 365478113 /nfs/dbraw/zinc/47/81/13/365478113.db2.gz YTWFDIPYSQGKCT-OAHLLOKOSA-N 2 1 266.429 2.291 20 0 CEADMP CC/C=C\CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000681024163 541490496 /nfs/dbraw/zinc/49/04/96/541490496.db2.gz FXIVVQXVKFBNEP-AWFCHZOYSA-N 2 1 265.445 2.055 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000583071864 366995870 /nfs/dbraw/zinc/99/58/70/366995870.db2.gz WKJRCSIQRXEXST-ZFWWWQNUSA-N 2 1 290.407 2.278 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000583071862 366996267 /nfs/dbraw/zinc/99/62/67/366996267.db2.gz WKJRCSIQRXEXST-HIFRSBDPSA-N 2 1 290.407 2.278 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000340794690 367032869 /nfs/dbraw/zinc/03/28/69/367032869.db2.gz IBSDAMDHWSAWIQ-JYJNAYRXSA-N 2 1 295.471 2.190 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000161977298 367126337 /nfs/dbraw/zinc/12/63/37/367126337.db2.gz WWTNTDBQIIWXOC-SJORKVTESA-N 3 1 279.472 2.421 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN1CCC[N@H+](C(C)(C)C)CC1 ZINC000584100723 367141905 /nfs/dbraw/zinc/14/19/05/367141905.db2.gz UWDMBOXNOOGEKZ-CQSZACIVSA-N 2 1 255.450 2.166 20 0 CEADMP C[N@@H+]1CC[C@H]2CC[NH+](CC3CCSCC3)[C@@H]2C1 ZINC000638918404 370841380 /nfs/dbraw/zinc/84/13/80/370841380.db2.gz PLSAFBBHLDSSAV-UONOGXRCSA-N 2 1 254.443 2.156 20 0 CEADMP C[N@H+]1CC[C@H]2CC[NH+](CC3CCSCC3)[C@@H]2C1 ZINC000638918404 370841384 /nfs/dbraw/zinc/84/13/84/370841384.db2.gz PLSAFBBHLDSSAV-UONOGXRCSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@H]2CC[N@H+](CC3CCSCC3)[C@@H]2C1 ZINC000638918404 370841388 /nfs/dbraw/zinc/84/13/88/370841388.db2.gz PLSAFBBHLDSSAV-UONOGXRCSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@H]2CC[N@@H+](CC3CCSCC3)[C@@H]2C1 ZINC000638918404 370841393 /nfs/dbraw/zinc/84/13/93/370841393.db2.gz PLSAFBBHLDSSAV-UONOGXRCSA-N 2 1 254.443 2.156 20 0 CEADMP CC[C@H](C)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245641553 370852731 /nfs/dbraw/zinc/85/27/31/370852731.db2.gz ZAWPQFPWJBGWAN-JKSUJKDBSA-N 2 1 267.461 2.134 20 0 CEADMP CC[C@H](C)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245641553 370852735 /nfs/dbraw/zinc/85/27/35/370852735.db2.gz ZAWPQFPWJBGWAN-JKSUJKDBSA-N 2 1 267.461 2.134 20 0 CEADMP Cc1cnn([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000162983818 367209959 /nfs/dbraw/zinc/20/99/59/367209959.db2.gz IVKNYMPTIPRPKU-JKSUJKDBSA-N 2 1 276.428 2.313 20 0 CEADMP Cc1cnn([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000162983818 367209968 /nfs/dbraw/zinc/20/99/68/367209968.db2.gz IVKNYMPTIPRPKU-JKSUJKDBSA-N 2 1 276.428 2.313 20 0 CEADMP Cc1cnn([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000162983818 367209972 /nfs/dbraw/zinc/20/99/72/367209972.db2.gz IVKNYMPTIPRPKU-JKSUJKDBSA-N 2 1 276.428 2.313 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163794015 367264727 /nfs/dbraw/zinc/26/47/27/367264727.db2.gz SYHCLXLXFAPRSX-HOTGVXAUSA-N 2 1 297.487 2.044 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163794015 367264728 /nfs/dbraw/zinc/26/47/28/367264728.db2.gz SYHCLXLXFAPRSX-HOTGVXAUSA-N 2 1 297.487 2.044 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000163287932 367229200 /nfs/dbraw/zinc/22/92/00/367229200.db2.gz OBQRVWXZTNLQOF-NWDGAFQWSA-N 2 1 251.349 2.213 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000163287932 367229204 /nfs/dbraw/zinc/22/92/04/367229204.db2.gz OBQRVWXZTNLQOF-NWDGAFQWSA-N 2 1 251.349 2.213 20 0 CEADMP CC(C)n1ccc(C[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)n1 ZINC000341348034 367297692 /nfs/dbraw/zinc/29/76/92/367297692.db2.gz VQDTYGNPDUZKOP-AWEZNQCLSA-N 2 1 276.428 2.247 20 0 CEADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000631564207 367403730 /nfs/dbraw/zinc/40/37/30/367403730.db2.gz FIPGWGHJNLVDQH-INIZCTEOSA-N 2 1 260.381 2.366 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC000631566502 367405813 /nfs/dbraw/zinc/40/58/13/367405813.db2.gz QLVIYBLQPZEZMX-QGZVFWFLSA-N 2 1 292.423 2.240 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(CO)cc3)CC[C@@H]21 ZINC000168740774 367358833 /nfs/dbraw/zinc/35/88/33/367358833.db2.gz QEQGJOGIWFSPAP-IRXDYDNUSA-N 2 1 274.408 2.095 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(CO)cc3)CC[C@@H]21 ZINC000168740774 367358836 /nfs/dbraw/zinc/35/88/36/367358836.db2.gz QEQGJOGIWFSPAP-IRXDYDNUSA-N 2 1 274.408 2.095 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(CO)cc3)CC[C@@H]21 ZINC000168740774 367358842 /nfs/dbraw/zinc/35/88/42/367358842.db2.gz QEQGJOGIWFSPAP-IRXDYDNUSA-N 2 1 274.408 2.095 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCC2(C)C)CC1 ZINC000342684109 367482940 /nfs/dbraw/zinc/48/29/40/367482940.db2.gz BEPJKYIFAOCIRI-OAHLLOKOSA-N 2 1 267.461 2.038 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000631820918 367559247 /nfs/dbraw/zinc/55/92/47/367559247.db2.gz JYQJHQZNGWZKMH-AWEZNQCLSA-N 2 1 274.408 2.191 20 0 CEADMP [NH3+][C@H]1CCCCC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000631833163 367571950 /nfs/dbraw/zinc/57/19/50/367571950.db2.gz UOTFXRNKBSUOAU-ZDUSSCGKSA-N 2 1 293.386 2.358 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000631833163 367571953 /nfs/dbraw/zinc/57/19/53/367571953.db2.gz UOTFXRNKBSUOAU-ZDUSSCGKSA-N 2 1 293.386 2.358 20 0 CEADMP CCC1([NH+]2CCCC2)CCN(CC2CC[NH2+]CC2)CC1 ZINC000631836791 367575532 /nfs/dbraw/zinc/57/55/32/367575532.db2.gz GYTYNONESWSESC-UHFFFAOYSA-N 2 1 279.472 2.326 20 0 CEADMP C[C@H]1C[N@@H+](CCc2nsc3ccccc32)C[C@H]1C[NH3+] ZINC000631836739 367575690 /nfs/dbraw/zinc/57/56/90/367575690.db2.gz GCAIOFDRWWDTNH-NWDGAFQWSA-N 2 1 275.421 2.365 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cc(O)ccc2Cl)C[C@H]1C[NH3+] ZINC000631836924 367575751 /nfs/dbraw/zinc/57/57/51/367575751.db2.gz JNALWZAOKUJSQH-MWLCHTKSSA-N 2 1 254.761 2.072 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(O)ccc2Cl)C[C@H]1C[NH3+] ZINC000631836924 367575756 /nfs/dbraw/zinc/57/57/56/367575756.db2.gz JNALWZAOKUJSQH-MWLCHTKSSA-N 2 1 254.761 2.072 20 0 CEADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000631872610 367604241 /nfs/dbraw/zinc/60/42/41/367604241.db2.gz CWQYMQSSQSCQHW-HZPDHXFCSA-N 2 1 278.440 2.410 20 0 CEADMP COc1ccccc1OCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886096 367609545 /nfs/dbraw/zinc/60/95/45/367609545.db2.gz FRFADJZLVOREMS-CABCVRRESA-N 2 1 290.407 2.148 20 0 CEADMP COc1ccccc1OCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886096 367609549 /nfs/dbraw/zinc/60/95/49/367609549.db2.gz FRFADJZLVOREMS-CABCVRRESA-N 2 1 290.407 2.148 20 0 CEADMP COCc1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631889241 367610165 /nfs/dbraw/zinc/61/01/65/367610165.db2.gz DSEZVCYCJPUAJH-SJORKVTESA-N 2 1 274.408 2.407 20 0 CEADMP CCCC[N@@H+](C)CCNC1CC[NH+](CCC)CC1 ZINC000163490292 541583219 /nfs/dbraw/zinc/58/32/19/541583219.db2.gz IPPSCAFXCAKTPO-UHFFFAOYSA-N 2 1 255.450 2.182 20 0 CEADMP c1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000343255162 367727692 /nfs/dbraw/zinc/72/76/92/367727692.db2.gz WLAQGKYFHXTBGL-KZNAEPCWSA-N 2 1 288.435 2.366 20 0 CEADMP Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)o1 ZINC000245745484 370868457 /nfs/dbraw/zinc/86/84/57/370868457.db2.gz XYJJGXVMQYLCAM-MDZLAQPJSA-N 2 1 275.356 2.219 20 0 CEADMP Cc1nnc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)o1 ZINC000245745484 370868464 /nfs/dbraw/zinc/86/84/64/370868464.db2.gz XYJJGXVMQYLCAM-MDZLAQPJSA-N 2 1 275.356 2.219 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638950349 370868873 /nfs/dbraw/zinc/86/88/73/370868873.db2.gz MDAPAUXEVHUEHC-IHRRRGAJSA-N 2 1 292.427 2.030 20 0 CEADMP C[C@H](CO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245766687 370871260 /nfs/dbraw/zinc/87/12/60/370871260.db2.gz WMUFEKDSPWGXOC-OWLYRPNTSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245786001 370873930 /nfs/dbraw/zinc/87/39/30/370873930.db2.gz ZMVRCRORJSGRHY-MXASKKJJSA-N 2 1 274.408 2.152 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000245966815 370894833 /nfs/dbraw/zinc/89/48/33/370894833.db2.gz NKLRSEJIEIRAOZ-ZIAGYGMSSA-N 2 1 284.444 2.428 20 0 CEADMP Cn1cnc2cc(C[N@H+](C)CCC[NH+]3CCCC3)ccc21 ZINC000343605341 367911610 /nfs/dbraw/zinc/91/16/10/367911610.db2.gz UGWIRCJRMOKHSG-UHFFFAOYSA-N 2 1 286.423 2.491 20 0 CEADMP Cn1cnc2cc(C[N@@H+](C)CCC[NH+]3CCCC3)ccc21 ZINC000343605341 367911618 /nfs/dbraw/zinc/91/16/18/367911618.db2.gz UGWIRCJRMOKHSG-UHFFFAOYSA-N 2 1 286.423 2.491 20 0 CEADMP COc1cccc(CN(C)CC[C@H]2CCCC[N@H+]2C)n1 ZINC000173949084 367964168 /nfs/dbraw/zinc/96/41/68/367964168.db2.gz ZYAAXRKYMBADRS-OAHLLOKOSA-N 2 1 277.412 2.396 20 0 CEADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccco1 ZINC000343920984 368076284 /nfs/dbraw/zinc/07/62/84/368076284.db2.gz DMCNRBWTNQUZLN-ZDUSSCGKSA-N 2 1 289.379 2.466 20 0 CEADMP c1ccc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000178956996 368317191 /nfs/dbraw/zinc/31/71/91/368317191.db2.gz DWERLKSDISBTMW-MRXNPFEDSA-N 2 1 260.381 2.060 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](OC)C(F)(F)F)[C@H](C)C1 ZINC000345473719 368289982 /nfs/dbraw/zinc/28/99/82/368289982.db2.gz AXSFMBXOTCCXOK-GRYCIOLGSA-N 2 1 282.350 2.274 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000572611849 299384440 /nfs/dbraw/zinc/38/44/40/299384440.db2.gz IHPJQHAFXGWEGE-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(CCCC(=O)OC(C)(C)C)C1 ZINC000181954478 368509764 /nfs/dbraw/zinc/50/97/64/368509764.db2.gz IFFQLRQQTMACDC-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCCC(=O)OC(C)(C)C)C1 ZINC000181954478 368509771 /nfs/dbraw/zinc/50/97/71/368509771.db2.gz IFFQLRQQTMACDC-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCC(=O)OC(C)(C)C)C1 ZINC000181954478 368509781 /nfs/dbraw/zinc/50/97/81/368509781.db2.gz IFFQLRQQTMACDC-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000181954478 368509786 /nfs/dbraw/zinc/50/97/86/368509786.db2.gz IFFQLRQQTMACDC-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000181954478 368509791 /nfs/dbraw/zinc/50/97/91/368509791.db2.gz IFFQLRQQTMACDC-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000634120137 368546125 /nfs/dbraw/zinc/54/61/25/368546125.db2.gz HBFYCRNFCTTYQP-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000183491815 368629572 /nfs/dbraw/zinc/62/95/72/368629572.db2.gz SIGYULSJJBNYFW-GDZNZVCISA-N 2 1 292.471 2.288 20 0 CEADMP C[C@H](c1cnccn1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000184526778 368701594 /nfs/dbraw/zinc/70/15/94/368701594.db2.gz XXEVRUAJORZLII-CYBMUJFWSA-N 2 1 285.395 2.226 20 0 CEADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)[C@@H]1CCOC1 ZINC000358087164 370898910 /nfs/dbraw/zinc/89/89/10/370898910.db2.gz QGJDLNLBSWCDPT-CFVMTHIKSA-N 2 1 265.401 2.232 20 0 CEADMP C[C@H](CCC(F)(F)F)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000346573687 368723947 /nfs/dbraw/zinc/72/39/47/368723947.db2.gz RJWHSIOQDLIIJI-CYBMUJFWSA-N 2 1 295.393 2.335 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2CCCO2)C[C@@H]1C ZINC000346443643 368676896 /nfs/dbraw/zinc/67/68/96/368676896.db2.gz JTGZVIIPOCORJZ-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CCCO2)C[C@@H]1C ZINC000346443643 368676901 /nfs/dbraw/zinc/67/69/01/368676901.db2.gz JTGZVIIPOCORJZ-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2CCCO2)C[C@@H]1C ZINC000346443643 368676906 /nfs/dbraw/zinc/67/69/06/368676906.db2.gz JTGZVIIPOCORJZ-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP OC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000358165509 370932754 /nfs/dbraw/zinc/93/27/54/370932754.db2.gz VXGLDXGIHKSEQZ-JYJNAYRXSA-N 2 1 278.371 2.076 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000346686699 368769824 /nfs/dbraw/zinc/76/98/24/368769824.db2.gz SDHVQMUQKIOGLT-OLZOCXBDSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000346686699 368769834 /nfs/dbraw/zinc/76/98/34/368769834.db2.gz SDHVQMUQKIOGLT-OLZOCXBDSA-N 2 1 270.380 2.246 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000246325210 370946851 /nfs/dbraw/zinc/94/68/51/370946851.db2.gz FRRGTZMVORYVMI-MJBXVCDLSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1cccn2c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cnc12 ZINC000346688671 368771243 /nfs/dbraw/zinc/77/12/43/368771243.db2.gz YJXIJVKLYZZZFF-HNNXBMFYSA-N 2 1 274.412 2.448 20 0 CEADMP Cc1cccn2c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cnc12 ZINC000346688671 368771247 /nfs/dbraw/zinc/77/12/47/368771247.db2.gz YJXIJVKLYZZZFF-HNNXBMFYSA-N 2 1 274.412 2.448 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000346642130 368746558 /nfs/dbraw/zinc/74/65/58/368746558.db2.gz BTDUOFPOUGPJFO-VXGBXAGGSA-N 2 1 290.436 2.318 20 0 CEADMP CC(C)c1ncc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)s1 ZINC000346657932 368756124 /nfs/dbraw/zinc/75/61/24/368756124.db2.gz HIVNMFKMQFZXTN-QWRGUYRKSA-N 2 1 253.415 2.436 20 0 CEADMP CC(C)c1ncc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)s1 ZINC000346657932 368756128 /nfs/dbraw/zinc/75/61/28/368756128.db2.gz HIVNMFKMQFZXTN-QWRGUYRKSA-N 2 1 253.415 2.436 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000346659644 368757241 /nfs/dbraw/zinc/75/72/41/368757241.db2.gz VHKXEGQXRPCKRT-DZGCQCFKSA-N 2 1 284.407 2.256 20 0 CEADMP COC1CC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000347184193 368800933 /nfs/dbraw/zinc/80/09/33/368800933.db2.gz HAFDRRGENWXXOG-NFOMZHRRSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634679406 368810019 /nfs/dbraw/zinc/81/00/19/368810019.db2.gz UBPLQHDFFZPICU-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000634687441 368815372 /nfs/dbraw/zinc/81/53/72/368815372.db2.gz LBMLUSMMGZAEGW-CYBMUJFWSA-N 2 1 255.365 2.276 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000185565856 368824634 /nfs/dbraw/zinc/82/46/34/368824634.db2.gz YAUNLAYFALBARE-KBPBESRZSA-N 2 1 266.360 2.494 20 0 CEADMP O[C@]1(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC[N@H+](Cc2ccccc2)C1 ZINC000634712927 368835241 /nfs/dbraw/zinc/83/52/41/368835241.db2.gz OJRLPSMKNLTGDW-MLHJIOFPSA-N 2 1 286.419 2.012 20 0 CEADMP O[C@]1(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712927 368835243 /nfs/dbraw/zinc/83/52/43/368835243.db2.gz OJRLPSMKNLTGDW-MLHJIOFPSA-N 2 1 286.419 2.012 20 0 CEADMP CC(C)[C@@H]1C[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715420 368836268 /nfs/dbraw/zinc/83/62/68/368836268.db2.gz CFEDCJNUTULYLD-RCCFBDPRSA-N 2 1 288.435 2.258 20 0 CEADMP CC(C)[C@@H]1C[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715420 368836275 /nfs/dbraw/zinc/83/62/75/368836275.db2.gz CFEDCJNUTULYLD-RCCFBDPRSA-N 2 1 288.435 2.258 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000347125231 368799998 /nfs/dbraw/zinc/79/99/98/368799998.db2.gz XQLBYVHOAUFSQS-CYBMUJFWSA-N 2 1 277.387 2.207 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000347125231 368800000 /nfs/dbraw/zinc/80/00/00/368800000.db2.gz XQLBYVHOAUFSQS-CYBMUJFWSA-N 2 1 277.387 2.207 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348087166 368891311 /nfs/dbraw/zinc/89/13/11/368891311.db2.gz OTJLHMFKSKSWPI-JHJVBQTASA-N 2 1 294.361 2.418 20 0 CEADMP CC[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185718102 368848476 /nfs/dbraw/zinc/84/84/76/368848476.db2.gz LEZMLJROFJDGMH-SOUVJXGZSA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718102 368848478 /nfs/dbraw/zinc/84/84/78/368848478.db2.gz LEZMLJROFJDGMH-SOUVJXGZSA-N 2 1 295.471 2.144 20 0 CEADMP CCCCOCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000348273107 368979244 /nfs/dbraw/zinc/97/92/44/368979244.db2.gz SHFIRZGRDQOFLE-UHFFFAOYSA-N 2 1 253.390 2.330 20 0 CEADMP CCCCOCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000348273107 368979245 /nfs/dbraw/zinc/97/92/45/368979245.db2.gz SHFIRZGRDQOFLE-UHFFFAOYSA-N 2 1 253.390 2.330 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634987936 369017619 /nfs/dbraw/zinc/01/76/19/369017619.db2.gz IKTXHMVVGGVYMQ-HNNXBMFYSA-N 2 1 284.407 2.451 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000186734024 369029190 /nfs/dbraw/zinc/02/91/90/369029190.db2.gz QWDPVOHGFIYMGH-GVDBMIGSSA-N 2 1 279.472 2.467 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000634998348 369029580 /nfs/dbraw/zinc/02/95/80/369029580.db2.gz DODVFMMHNPULAO-NWDGAFQWSA-N 2 1 282.457 2.016 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000634998348 369029581 /nfs/dbraw/zinc/02/95/81/369029581.db2.gz DODVFMMHNPULAO-NWDGAFQWSA-N 2 1 282.457 2.016 20 0 CEADMP COc1cc(C)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000634998245 369029635 /nfs/dbraw/zinc/02/96/35/369029635.db2.gz CLXNHPMXIMWRPW-TZMCWYRMSA-N 2 1 278.396 2.039 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000634998437 369029835 /nfs/dbraw/zinc/02/98/35/369029835.db2.gz FQYGEYXLJTWPOI-MWLCHTKSSA-N 2 1 288.313 2.454 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000634998437 369029840 /nfs/dbraw/zinc/02/98/40/369029840.db2.gz FQYGEYXLJTWPOI-MWLCHTKSSA-N 2 1 288.313 2.454 20 0 CEADMP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cnccn1 ZINC000635004643 369040160 /nfs/dbraw/zinc/04/01/60/369040160.db2.gz FSGHGLDBGNXXMS-UKRRQHHQSA-N 2 1 270.380 2.087 20 0 CEADMP N[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2ccccc21 ZINC000635005854 369043068 /nfs/dbraw/zinc/04/30/68/369043068.db2.gz PSGFQLOJXPHJKR-APYUEPQZSA-N 2 1 259.397 2.238 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(CO)c2ccccc2)[C@@H](C)C1 ZINC000348288787 368986409 /nfs/dbraw/zinc/98/64/09/368986409.db2.gz KAOUCIWUWBINOH-SZMVWBNQSA-N 2 1 290.451 2.257 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000348303978 368993932 /nfs/dbraw/zinc/99/39/32/368993932.db2.gz RGEFTFNNCGZYBA-HOTGVXAUSA-N 2 1 278.444 2.410 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000635012063 369050583 /nfs/dbraw/zinc/05/05/83/369050583.db2.gz IYGKFHKAYOYZJQ-FGTMMUONSA-N 2 1 287.451 2.286 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000635012063 369050585 /nfs/dbraw/zinc/05/05/85/369050585.db2.gz IYGKFHKAYOYZJQ-FGTMMUONSA-N 2 1 287.451 2.286 20 0 CEADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CCSCC1 ZINC000187168096 369114588 /nfs/dbraw/zinc/11/45/88/369114588.db2.gz PRICYKCURLTXJL-HNNXBMFYSA-N 2 1 299.528 2.135 20 0 CEADMP CC(C)CN(CC[NH+](C)C)Cc1ncc(C[NH+](C)C)s1 ZINC000348907119 369197213 /nfs/dbraw/zinc/19/72/13/369197213.db2.gz WBJAWTCEPQXIRE-UHFFFAOYSA-N 2 1 298.500 2.224 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635471626 369185100 /nfs/dbraw/zinc/18/51/00/369185100.db2.gz JYPMCSIGWHKJEF-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635471626 369185105 /nfs/dbraw/zinc/18/51/05/369185105.db2.gz JYPMCSIGWHKJEF-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635471626 369185108 /nfs/dbraw/zinc/18/51/08/369185108.db2.gz JYPMCSIGWHKJEF-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP COC[C@@H](C)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000187816753 369229416 /nfs/dbraw/zinc/22/94/16/369229416.db2.gz BCRSCJNWQYYBCR-WMZOPIPTSA-N 2 1 290.451 2.423 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000349142754 369249762 /nfs/dbraw/zinc/24/97/62/369249762.db2.gz KHCYACFLGBWZJM-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCCOC1 ZINC000349368315 369312193 /nfs/dbraw/zinc/31/21/93/369312193.db2.gz OHEVQRTYVAFKJJ-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@H]1CCCOC1 ZINC000349380826 369315000 /nfs/dbraw/zinc/31/50/00/369315000.db2.gz FHJMGQJNAIFQKT-OAHLLOKOSA-N 2 1 256.434 2.467 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000635740142 369317157 /nfs/dbraw/zinc/31/71/57/369317157.db2.gz ITYABMWZBLVXKL-INIZCTEOSA-N 2 1 289.423 2.479 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000635740142 369317161 /nfs/dbraw/zinc/31/71/61/369317161.db2.gz ITYABMWZBLVXKL-INIZCTEOSA-N 2 1 289.423 2.479 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000349561838 369344919 /nfs/dbraw/zinc/34/49/19/369344919.db2.gz CATWCYLDGHBWOE-LBPRGKRZSA-N 2 1 266.360 2.353 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000349561838 369344926 /nfs/dbraw/zinc/34/49/26/369344926.db2.gz CATWCYLDGHBWOE-LBPRGKRZSA-N 2 1 266.360 2.353 20 0 CEADMP C[C@@H]1CC[C@@](CO)([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC000189246518 369483119 /nfs/dbraw/zinc/48/31/19/369483119.db2.gz MUIOGEAQANUDKG-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000358251670 370973154 /nfs/dbraw/zinc/97/31/54/370973154.db2.gz MRVRMALHQOBYQH-LSDHHAIUSA-N 2 1 282.815 2.447 20 0 CEADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000358251670 370973160 /nfs/dbraw/zinc/97/31/60/370973160.db2.gz MRVRMALHQOBYQH-LSDHHAIUSA-N 2 1 282.815 2.447 20 0 CEADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358265619 370983286 /nfs/dbraw/zinc/98/32/86/370983286.db2.gz ZZWNSCPFBWSSNT-MAUKXSAKSA-N 2 1 290.451 2.399 20 0 CEADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358265619 370983290 /nfs/dbraw/zinc/98/32/90/370983290.db2.gz ZZWNSCPFBWSSNT-MAUKXSAKSA-N 2 1 290.451 2.399 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC000350181287 369522504 /nfs/dbraw/zinc/52/25/04/369522504.db2.gz NEFNHZUPIURPPL-HNNXBMFYSA-N 2 1 256.434 2.465 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CC(C)(C)OC(C)(C)C1 ZINC000189656230 369554186 /nfs/dbraw/zinc/55/41/86/369554186.db2.gz UDZYQDGAKWEFSN-ZDUSSCGKSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000189656230 369554190 /nfs/dbraw/zinc/55/41/90/369554190.db2.gz UDZYQDGAKWEFSN-ZDUSSCGKSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000189656230 369554194 /nfs/dbraw/zinc/55/41/94/369554194.db2.gz UDZYQDGAKWEFSN-ZDUSSCGKSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@@H+](CC(=O)NC[C@H]1CC[NH+]1C1CCCC1)CC(C)(C)C ZINC000636280891 369583440 /nfs/dbraw/zinc/58/34/40/369583440.db2.gz UDEPVECVECZETL-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)CC(C)(C)C ZINC000636280891 369583444 /nfs/dbraw/zinc/58/34/44/369583444.db2.gz UDEPVECVECZETL-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CC(=O)NC[C@H]1CC[N@H+]1C1CCCC1)CC(C)(C)C ZINC000636280891 369583449 /nfs/dbraw/zinc/58/34/49/369583449.db2.gz UDEPVECVECZETL-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP c1cn(-c2ccccc2)c(CNC[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000190754180 369649278 /nfs/dbraw/zinc/64/92/78/369649278.db2.gz SXOZPDGFVWHLJH-HNNXBMFYSA-N 2 1 296.418 2.446 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000351684045 369649514 /nfs/dbraw/zinc/64/95/14/369649514.db2.gz HMRGCMUQKSPBAN-IAGOWNOFSA-N 2 1 279.472 2.421 20 0 CEADMP C[C@H]1CSCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000190435096 369624087 /nfs/dbraw/zinc/62/40/87/369624087.db2.gz MUCLCWKGPVZFRN-CYBMUJFWSA-N 2 1 288.420 2.452 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc2c1OCCO2 ZINC000352494768 369756665 /nfs/dbraw/zinc/75/66/65/369756665.db2.gz FOGWQSZPBBYYLZ-AWEZNQCLSA-N 2 1 276.380 2.161 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc2c1OCCO2 ZINC000352494768 369756668 /nfs/dbraw/zinc/75/66/68/369756668.db2.gz FOGWQSZPBBYYLZ-AWEZNQCLSA-N 2 1 276.380 2.161 20 0 CEADMP COC(=O)C1CCC([NH2+]C[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000192441818 369813448 /nfs/dbraw/zinc/81/34/48/369813448.db2.gz ZAFDGDXKPBOZGL-GRTSSRMGSA-N 2 1 293.411 2.149 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352644947 369818857 /nfs/dbraw/zinc/81/88/57/369818857.db2.gz QWNHKONYXSPPQG-CHWSQXEVSA-N 2 1 286.370 2.111 20 0 CEADMP CC[C@@H](NC[C@@H]1CCC[N@@H+]1CCOC)c1ccc(F)cn1 ZINC000352683661 369836101 /nfs/dbraw/zinc/83/61/01/369836101.db2.gz LFXQYZNHYRCTBB-LSDHHAIUSA-N 2 1 295.402 2.372 20 0 CEADMP Cc1ccc(CCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000352525791 369774198 /nfs/dbraw/zinc/77/41/98/369774198.db2.gz IJMFPWMRIWNZOA-QGZVFWFLSA-N 2 1 273.424 2.398 20 0 CEADMP CCOc1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])n1 ZINC000352541239 369778657 /nfs/dbraw/zinc/77/86/57/369778657.db2.gz VLCGZZCTYUDTEM-CQSZACIVSA-N 2 1 263.385 2.184 20 0 CEADMP CCOc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])n1 ZINC000352541239 369778660 /nfs/dbraw/zinc/77/86/60/369778660.db2.gz VLCGZZCTYUDTEM-CQSZACIVSA-N 2 1 263.385 2.184 20 0 CEADMP COc1c(C[N@H+](CCC[NH3+])CC2CCCC2)c(C)nn1C ZINC000352540448 369778777 /nfs/dbraw/zinc/77/87/77/369778777.db2.gz LGHDWQMAROQWFH-UHFFFAOYSA-N 2 1 294.443 2.078 20 0 CEADMP COc1c(C[N@@H+](CCC[NH3+])CC2CCCC2)c(C)nn1C ZINC000352540448 369778779 /nfs/dbraw/zinc/77/87/79/369778779.db2.gz LGHDWQMAROQWFH-UHFFFAOYSA-N 2 1 294.443 2.078 20 0 CEADMP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c3ccccc32)[C@H](C)C1 ZINC000192801194 369856567 /nfs/dbraw/zinc/85/65/67/369856567.db2.gz ZLSOWRZVIDBMPZ-ZIAGYGMSSA-N 2 1 285.391 2.126 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCSC2)s1 ZINC000352760530 369871312 /nfs/dbraw/zinc/87/13/12/369871312.db2.gz PWOBEYPBCWFCOV-SNVBAGLBSA-N 2 1 271.455 2.190 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CCCC(C)(C)CO)s1 ZINC000352760317 369871444 /nfs/dbraw/zinc/87/14/44/369871444.db2.gz OJWNSXOLDYGHAB-UHFFFAOYSA-N 2 1 285.457 2.093 20 0 CEADMP CO[C@H]1CCC[C@@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353138268 370034918 /nfs/dbraw/zinc/03/49/18/370034918.db2.gz YZBAPRNRRYCMFV-DOMZBBRYSA-N 2 1 263.385 2.052 20 0 CEADMP CC[C@H](C)C[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000353032591 369993053 /nfs/dbraw/zinc/99/30/53/369993053.db2.gz XMWPUCASRAAVFW-HNNXBMFYSA-N 2 1 286.460 2.092 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353497539 370115320 /nfs/dbraw/zinc/11/53/20/370115320.db2.gz PDBUXILPZJOPEK-JONQDZQNSA-N 2 1 267.461 2.179 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353497539 370115322 /nfs/dbraw/zinc/11/53/22/370115322.db2.gz PDBUXILPZJOPEK-JONQDZQNSA-N 2 1 267.461 2.179 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353497539 370115328 /nfs/dbraw/zinc/11/53/28/370115328.db2.gz PDBUXILPZJOPEK-JONQDZQNSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000195148345 370109183 /nfs/dbraw/zinc/10/91/83/370109183.db2.gz ZJZFKSPSLFEFQI-KGLIPLIRSA-N 2 1 289.423 2.024 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000353934236 370143473 /nfs/dbraw/zinc/14/34/73/370143473.db2.gz SIQRQAORKTXQGL-UHFFFAOYSA-N 2 1 284.444 2.430 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](CC)C[C@H]1C ZINC000353970054 370158716 /nfs/dbraw/zinc/15/87/16/370158716.db2.gz BGXCTKIRYGIHOX-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000353970054 370158720 /nfs/dbraw/zinc/15/87/20/370158720.db2.gz BGXCTKIRYGIHOX-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000353970054 370158724 /nfs/dbraw/zinc/15/87/24/370158724.db2.gz BGXCTKIRYGIHOX-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000354087546 370212665 /nfs/dbraw/zinc/21/26/65/370212665.db2.gz CCASAKAGGWTAHP-ZDUSSCGKSA-N 2 1 283.441 2.076 20 0 CEADMP CO[C@](C)(C[N@@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000638028870 370253798 /nfs/dbraw/zinc/25/37/98/370253798.db2.gz JOLZIHAMGTUBLW-OAHLLOKOSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000221943069 370247570 /nfs/dbraw/zinc/24/75/70/370247570.db2.gz KXQAFLZGQFNANS-GOEBONIOSA-N 3 1 267.461 2.037 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000354330329 370317730 /nfs/dbraw/zinc/31/77/30/370317730.db2.gz OAURGAGXUIVKIM-ZDUSSCGKSA-N 2 1 282.428 2.182 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000354330329 370317733 /nfs/dbraw/zinc/31/77/33/370317733.db2.gz OAURGAGXUIVKIM-ZDUSSCGKSA-N 2 1 282.428 2.182 20 0 CEADMP CC(C)C1(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000638056297 370272038 /nfs/dbraw/zinc/27/20/38/370272038.db2.gz KWOXDWLPNYRYGJ-INIZCTEOSA-N 2 1 279.472 2.134 20 0 CEADMP CC(C)CC[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000638066775 370277071 /nfs/dbraw/zinc/27/70/71/370277071.db2.gz LUBUFXYPAYRKLQ-CVEARBPZSA-N 2 1 297.487 2.378 20 0 CEADMP CCC[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)CCC)C1)OC ZINC000638128226 370323474 /nfs/dbraw/zinc/32/34/74/370323474.db2.gz QSUCHTZORSQQFA-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)CCC)C1)OC ZINC000638128226 370323478 /nfs/dbraw/zinc/32/34/78/370323478.db2.gz QSUCHTZORSQQFA-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1)OC ZINC000638128226 370323480 /nfs/dbraw/zinc/32/34/80/370323480.db2.gz QSUCHTZORSQQFA-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000354431316 370359721 /nfs/dbraw/zinc/35/97/21/370359721.db2.gz YGKLMFNXCFOKDG-QAPCUYQASA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000354431316 370359728 /nfs/dbraw/zinc/35/97/28/370359728.db2.gz YGKLMFNXCFOKDG-QAPCUYQASA-N 2 1 288.435 2.402 20 0 CEADMP Cc1ccc2[nH+]ccc(NCC[N@H+](C)C3CC3)c2c1 ZINC000354511839 370393051 /nfs/dbraw/zinc/39/30/51/370393051.db2.gz TUINXYHIDMWCSX-UHFFFAOYSA-N 2 1 255.365 2.471 20 0 CEADMP Cc1ccc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000354517496 370395499 /nfs/dbraw/zinc/39/54/99/370395499.db2.gz XZOPAOBVEGSOBA-ZBFHGGJFSA-N 2 1 261.413 2.395 20 0 CEADMP C[NH2+]Cc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC000638255963 370403312 /nfs/dbraw/zinc/40/33/12/370403312.db2.gz OEYGNJXZAQERTR-UHFFFAOYSA-N 2 1 277.412 2.322 20 0 CEADMP CC(C)[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000354648133 370451926 /nfs/dbraw/zinc/45/19/26/370451926.db2.gz LYIWDYBGUAMHSO-IAGOWNOFSA-N 2 1 276.424 2.082 20 0 CEADMP CC(C)[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000354648133 370451929 /nfs/dbraw/zinc/45/19/29/370451929.db2.gz LYIWDYBGUAMHSO-IAGOWNOFSA-N 2 1 276.424 2.082 20 0 CEADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCCNC(=O)C1)CC(C)C ZINC000638351780 370461601 /nfs/dbraw/zinc/46/16/01/370461601.db2.gz GHWWDWILRTXHPN-GJZGRUSLSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@H](C[NH2+]CCCc1cnn(C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000638361536 370470424 /nfs/dbraw/zinc/47/04/24/370470424.db2.gz QLFIMFAUZGMZKB-LSDHHAIUSA-N 2 1 278.444 2.205 20 0 CEADMP C[C@H](C[NH2+]CCCc1cnn(C)c1)[N@H+]1CCCC[C@@H]1C ZINC000638361536 370470426 /nfs/dbraw/zinc/47/04/26/370470426.db2.gz QLFIMFAUZGMZKB-LSDHHAIUSA-N 2 1 278.444 2.205 20 0 CEADMP CCC(CC)[C@H](C[NH2+]C1CCC(O)CC1)[NH+](C)C ZINC000232874159 370514134 /nfs/dbraw/zinc/51/41/34/370514134.db2.gz YLVGWRRAXRBFDY-NRXISQOPSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCC1 ZINC000355135372 370516998 /nfs/dbraw/zinc/51/69/98/370516998.db2.gz QLQBOOVXQFNLHR-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCC1 ZINC000355135372 370517001 /nfs/dbraw/zinc/51/70/01/370517001.db2.gz QLQBOOVXQFNLHR-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@@H](CNCc2cc(OC)c(O)cc2Cl)C1 ZINC000638381947 370488379 /nfs/dbraw/zinc/48/83/79/370488379.db2.gz QVGNHLYVQRPEBM-NSHDSACASA-N 2 1 298.814 2.486 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccnc(OC)c2)C1 ZINC000638451767 370540552 /nfs/dbraw/zinc/54/05/52/370540552.db2.gz QIRADCQIUOFEGA-GDBMZVCRSA-N 2 1 291.439 2.343 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+]CCOCC(F)F)c2ccccc21 ZINC000236316565 370587546 /nfs/dbraw/zinc/58/75/46/370587546.db2.gz BIJHSAKHWDAYPS-NWDGAFQWSA-N 2 1 256.296 2.003 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)OC ZINC000639122915 371000165 /nfs/dbraw/zinc/00/01/65/371000165.db2.gz UOQATPUUAIILLB-JYJNAYRXSA-N 2 1 286.460 2.138 20 0 CEADMP Cc1cc(C[N@@H+](C)CCCn2ccnc2)sn1 ZINC000639174492 371046798 /nfs/dbraw/zinc/04/67/98/371046798.db2.gz DEGXCFQAXVLUGT-UHFFFAOYSA-N 2 1 250.371 2.170 20 0 CEADMP Cc1cc(CN(C)CCCn2ccnc2)sn1 ZINC000639174492 371046802 /nfs/dbraw/zinc/04/68/02/371046802.db2.gz DEGXCFQAXVLUGT-UHFFFAOYSA-N 2 1 250.371 2.170 20 0 CEADMP Cn1nc2c(c1C[N@@H+](C)CCCn1ccnc1)CCCC2 ZINC000639174434 371047349 /nfs/dbraw/zinc/04/73/49/371047349.db2.gz AZWNIOPOEAHPJP-UHFFFAOYSA-N 2 1 287.411 2.018 20 0 CEADMP CCC[C@@H](C[N@H+](C)CCCn1cc[nH+]c1C)OC ZINC000639175244 371048658 /nfs/dbraw/zinc/04/86/58/371048658.db2.gz JZRGCBAEAWMQCH-AWEZNQCLSA-N 2 1 253.390 2.329 20 0 CEADMP CCC[C@@H](C[N@@H+](C)CCCn1cc[nH+]c1C)OC ZINC000639175244 371048663 /nfs/dbraw/zinc/04/86/63/371048663.db2.gz JZRGCBAEAWMQCH-AWEZNQCLSA-N 2 1 253.390 2.329 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccnc1 ZINC000358301665 371001898 /nfs/dbraw/zinc/00/18/98/371001898.db2.gz OVUDCVSASLXNES-JQFCIGGWSA-N 2 1 289.423 2.110 20 0 CEADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(=O)[nH]c1 ZINC000639175666 371051145 /nfs/dbraw/zinc/05/11/45/371051145.db2.gz OCTAZPDRUGIEAV-UHFFFAOYSA-N 2 1 263.385 2.095 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(=O)[nH]c1 ZINC000639175666 371051150 /nfs/dbraw/zinc/05/11/50/371051150.db2.gz OCTAZPDRUGIEAV-UHFFFAOYSA-N 2 1 263.385 2.095 20 0 CEADMP Cc1n[nH]cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246903199 371028194 /nfs/dbraw/zinc/02/81/94/371028194.db2.gz ULOOUVKUMDSQGR-XJKSGUPXSA-N 2 1 274.412 2.167 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3cccnc3)CC[C@H]21 ZINC000246943386 371034526 /nfs/dbraw/zinc/03/45/26/371034526.db2.gz NQEWUUGXKIVVMQ-JKSUJKDBSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3cccnc3)CC[C@H]21 ZINC000246943386 371034530 /nfs/dbraw/zinc/03/45/30/371034530.db2.gz NQEWUUGXKIVVMQ-JKSUJKDBSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3cccnc3)CC[C@H]21 ZINC000246943386 371034534 /nfs/dbraw/zinc/03/45/34/371034534.db2.gz NQEWUUGXKIVVMQ-JKSUJKDBSA-N 2 1 259.397 2.040 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000639165712 371038777 /nfs/dbraw/zinc/03/87/77/371038777.db2.gz QQCBSUCJGCXELF-ZBFHGGJFSA-N 2 1 291.439 2.485 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000639165712 371038781 /nfs/dbraw/zinc/03/87/81/371038781.db2.gz QQCBSUCJGCXELF-ZBFHGGJFSA-N 2 1 291.439 2.485 20 0 CEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)c(F)c1 ZINC000572990628 299418930 /nfs/dbraw/zinc/41/89/30/299418930.db2.gz RJRKALVHQRFINJ-UFAOYGAJSA-N 2 1 254.736 2.348 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000639188044 371068860 /nfs/dbraw/zinc/06/88/60/371068860.db2.gz HKWFVMUBRKAPCW-CQSZACIVSA-N 2 1 266.433 2.063 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000639188044 371068864 /nfs/dbraw/zinc/06/88/64/371068864.db2.gz HKWFVMUBRKAPCW-CQSZACIVSA-N 2 1 266.433 2.063 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000247233958 371080044 /nfs/dbraw/zinc/08/00/44/371080044.db2.gz YLWUHOPHSSTVJV-ULQDDVLXSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000247233958 371080050 /nfs/dbraw/zinc/08/00/50/371080050.db2.gz YLWUHOPHSSTVJV-ULQDDVLXSA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000247233958 371080061 /nfs/dbraw/zinc/08/00/61/371080061.db2.gz YLWUHOPHSSTVJV-ULQDDVLXSA-N 3 1 281.488 2.428 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)OC ZINC000639205424 371092156 /nfs/dbraw/zinc/09/21/56/371092156.db2.gz ZCOVUDVWLAIGIG-KKUMJFAQSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000639205424 371092159 /nfs/dbraw/zinc/09/21/59/371092159.db2.gz ZCOVUDVWLAIGIG-KKUMJFAQSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000639205424 371092163 /nfs/dbraw/zinc/09/21/63/371092163.db2.gz ZCOVUDVWLAIGIG-KKUMJFAQSA-N 2 1 254.418 2.075 20 0 CEADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639240760 371135255 /nfs/dbraw/zinc/13/52/55/371135255.db2.gz YJUPAHYVZOCZOE-LMSBXDPUSA-N 2 1 286.419 2.467 20 0 CEADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639240760 371135257 /nfs/dbraw/zinc/13/52/57/371135257.db2.gz YJUPAHYVZOCZOE-LMSBXDPUSA-N 2 1 286.419 2.467 20 0 CEADMP O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639240761 371135803 /nfs/dbraw/zinc/13/58/03/371135803.db2.gz YJUPAHYVZOCZOE-ONIAQPFYSA-N 2 1 286.419 2.467 20 0 CEADMP O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639240761 371135806 /nfs/dbraw/zinc/13/58/06/371135806.db2.gz YJUPAHYVZOCZOE-ONIAQPFYSA-N 2 1 286.419 2.467 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000247503063 371117212 /nfs/dbraw/zinc/11/72/12/371117212.db2.gz ODXVZQJXDCLHIW-LVQVYYBASA-N 2 1 295.471 2.238 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000639258100 371158358 /nfs/dbraw/zinc/15/83/58/371158358.db2.gz ZNRAEBWFATUDCG-LBPRGKRZSA-N 2 1 299.365 2.065 20 0 CEADMP Cc1noc(C)c1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000248178096 371168939 /nfs/dbraw/zinc/16/89/39/371168939.db2.gz VZAGYQQXLCDOQQ-UEKVPHQBSA-N 2 1 265.401 2.152 20 0 CEADMP CO[C@@H](C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000639285694 371186979 /nfs/dbraw/zinc/18/69/79/371186979.db2.gz JHZNECPZNQGVLJ-SQNIBIBYSA-N 2 1 288.435 2.346 20 0 CEADMP COc1cc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccn1 ZINC000639346686 371259775 /nfs/dbraw/zinc/25/97/75/371259775.db2.gz IENJYSWUFIFYDJ-GOEBONIOSA-N 2 1 291.439 2.343 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000248996661 371280652 /nfs/dbraw/zinc/28/06/52/371280652.db2.gz ZTUIAKXYKXNYDA-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000248996661 371280662 /nfs/dbraw/zinc/28/06/62/371280662.db2.gz ZTUIAKXYKXNYDA-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000248996661 371280669 /nfs/dbraw/zinc/28/06/69/371280669.db2.gz ZTUIAKXYKXNYDA-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP COc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000358968934 371286026 /nfs/dbraw/zinc/28/60/26/371286026.db2.gz ANGJZQBGSWILJY-HUUCEWRRSA-N 2 1 289.423 2.423 20 0 CEADMP COc1cc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000358968934 371286031 /nfs/dbraw/zinc/28/60/31/371286031.db2.gz ANGJZQBGSWILJY-HUUCEWRRSA-N 2 1 289.423 2.423 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000249070490 371290637 /nfs/dbraw/zinc/29/06/37/371290637.db2.gz YCODIFXITHVYJT-MGNMYUMUSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249070490 371290638 /nfs/dbraw/zinc/29/06/38/371290638.db2.gz YCODIFXITHVYJT-MGNMYUMUSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249070490 371290639 /nfs/dbraw/zinc/29/06/39/371290639.db2.gz YCODIFXITHVYJT-MGNMYUMUSA-N 2 1 279.472 2.466 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000358922835 371268405 /nfs/dbraw/zinc/26/84/05/371268405.db2.gz CBCMVKGQBDZPNH-UKRRQHHQSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000358922835 371268410 /nfs/dbraw/zinc/26/84/10/371268410.db2.gz CBCMVKGQBDZPNH-UKRRQHHQSA-N 2 1 276.428 2.119 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1(C)C ZINC000250563703 371386492 /nfs/dbraw/zinc/38/64/92/371386492.db2.gz USJLCNPNMHCHNC-XDQVBPFNSA-N 2 1 254.418 2.262 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1(C)C ZINC000250563703 371386499 /nfs/dbraw/zinc/38/64/99/371386499.db2.gz USJLCNPNMHCHNC-XDQVBPFNSA-N 2 1 254.418 2.262 20 0 CEADMP CCCN(CC[NH+](CC)CC)c1cc[nH+]c(N(C)C)n1 ZINC000359234761 371387722 /nfs/dbraw/zinc/38/77/22/371387722.db2.gz SQXLYKUJIOSXJC-UHFFFAOYSA-N 2 1 279.432 2.101 20 0 CEADMP O=c1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc[nH]1 ZINC000639543396 371394134 /nfs/dbraw/zinc/39/41/34/371394134.db2.gz FRBIAPUVTJIPQR-ZBFHGGJFSA-N 2 1 287.407 2.236 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)O1 ZINC000251814034 371417580 /nfs/dbraw/zinc/41/75/80/371417580.db2.gz MOEPWLWJLULBTJ-LXTVHRRPSA-N 2 1 252.402 2.018 20 0 CEADMP COc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)ccc1O ZINC000359211610 371376371 /nfs/dbraw/zinc/37/63/71/371376371.db2.gz DEOJPYGTPLMCAZ-UHFFFAOYSA-N 2 1 278.396 2.222 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000251905739 371422764 /nfs/dbraw/zinc/42/27/64/371422764.db2.gz SWIFILJMOGWCPD-OHFALNGGSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000251905739 371422771 /nfs/dbraw/zinc/42/27/71/371422771.db2.gz SWIFILJMOGWCPD-OHFALNGGSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000252888885 371488733 /nfs/dbraw/zinc/48/87/33/371488733.db2.gz BUGVVSATHAWUFA-RHSMWYFYSA-N 2 1 284.407 2.302 20 0 CEADMP C[NH2+]CCC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000573117017 299424580 /nfs/dbraw/zinc/42/45/80/299424580.db2.gz BKMMUOGGZPWVLI-UHFFFAOYSA-N 2 1 296.440 2.067 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000252223528 371435145 /nfs/dbraw/zinc/43/51/45/371435145.db2.gz ZRJZEIWMFOWBIR-IXDOHACOSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000252223528 371435148 /nfs/dbraw/zinc/43/51/48/371435148.db2.gz ZRJZEIWMFOWBIR-IXDOHACOSA-N 3 1 279.472 2.467 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252223528 371435154 /nfs/dbraw/zinc/43/51/54/371435154.db2.gz ZRJZEIWMFOWBIR-IXDOHACOSA-N 3 1 279.472 2.467 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000359395507 371460022 /nfs/dbraw/zinc/46/00/22/371460022.db2.gz VOEMFBSUWVNGHF-CABCVRRESA-N 2 1 282.815 2.303 20 0 CEADMP c1nn2ccccc2c1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667508 371465218 /nfs/dbraw/zinc/46/52/18/371465218.db2.gz KQWRUMDZZHVCJF-GJZGRUSLSA-N 2 1 270.380 2.051 20 0 CEADMP c1nn2ccccc2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667508 371465221 /nfs/dbraw/zinc/46/52/21/371465221.db2.gz KQWRUMDZZHVCJF-GJZGRUSLSA-N 2 1 270.380 2.051 20 0 CEADMP c1nn2ccccc2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252667508 371465224 /nfs/dbraw/zinc/46/52/24/371465224.db2.gz KQWRUMDZZHVCJF-GJZGRUSLSA-N 2 1 270.380 2.051 20 0 CEADMP Cc1ncccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682896 371491954 /nfs/dbraw/zinc/49/19/54/371491954.db2.gz CUCMTOABXISDAW-UHFFFAOYSA-N 2 1 282.391 2.497 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000253186662 371501292 /nfs/dbraw/zinc/50/12/92/371501292.db2.gz IUSGLUADGMNBTO-FGTMMUONSA-N 2 1 288.435 2.461 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000253186662 371501298 /nfs/dbraw/zinc/50/12/98/371501298.db2.gz IUSGLUADGMNBTO-FGTMMUONSA-N 2 1 288.435 2.461 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000360155185 371507529 /nfs/dbraw/zinc/50/75/29/371507529.db2.gz XMYVEBXUXXAHPP-OWCLPIDISA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000360155185 371507533 /nfs/dbraw/zinc/50/75/33/371507533.db2.gz XMYVEBXUXXAHPP-OWCLPIDISA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000360155185 371507537 /nfs/dbraw/zinc/50/75/37/371507537.db2.gz XMYVEBXUXXAHPP-OWCLPIDISA-N 3 1 267.461 2.038 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c(C)c1 ZINC000639760809 371549145 /nfs/dbraw/zinc/54/91/45/371549145.db2.gz ASVXBNGEJFPYSI-QGZVFWFLSA-N 2 1 276.424 2.192 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c(C)c1 ZINC000639760809 371549146 /nfs/dbraw/zinc/54/91/46/371549146.db2.gz ASVXBNGEJFPYSI-QGZVFWFLSA-N 2 1 276.424 2.192 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000639766727 371555697 /nfs/dbraw/zinc/55/56/97/371555697.db2.gz ONYVPRLZOCDXEB-QKIXSCASSA-N 2 1 288.435 2.478 20 0 CEADMP CC(C)[N@@H+](C)CCCNCc1cn(C)nc1C(F)F ZINC000360973403 371571977 /nfs/dbraw/zinc/57/19/77/371571977.db2.gz IQOWRQSPZORUHD-UHFFFAOYSA-N 2 1 274.359 2.178 20 0 CEADMP Cc1nc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cs1 ZINC000360994222 371586982 /nfs/dbraw/zinc/58/69/82/371586982.db2.gz DKEZACOXORJXDJ-CYBMUJFWSA-N 2 1 296.484 2.130 20 0 CEADMP c1cc(C2CC2)ccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261596980 371671564 /nfs/dbraw/zinc/67/15/64/371671564.db2.gz AKQXYNNASOVHKP-GOSISDBHSA-N 2 1 285.435 2.044 20 0 CEADMP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc2c1CCC2 ZINC000261603679 371673422 /nfs/dbraw/zinc/67/34/22/371673422.db2.gz QWPJTADXMUDCHF-DLBZAZTESA-N 2 1 256.393 2.217 20 0 CEADMP Clc1cccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261601496 371673760 /nfs/dbraw/zinc/67/37/60/371673760.db2.gz QCBCHELRQQWSRM-DOMZBBRYSA-N 2 1 280.799 2.403 20 0 CEADMP Clc1cccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261601496 371673762 /nfs/dbraw/zinc/67/37/62/371673762.db2.gz QCBCHELRQQWSRM-DOMZBBRYSA-N 2 1 280.799 2.403 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000259225044 371622902 /nfs/dbraw/zinc/62/29/02/371622902.db2.gz XSMXVDKJBUQXMC-BDAKNGLRSA-N 2 1 275.215 2.480 20 0 CEADMP CCOc1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261702354 371706735 /nfs/dbraw/zinc/70/67/35/371706735.db2.gz OJRGIHZDVQRIJG-RHSMWYFYSA-N 2 1 290.407 2.148 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261702354 371706742 /nfs/dbraw/zinc/70/67/42/371706742.db2.gz OJRGIHZDVQRIJG-RHSMWYFYSA-N 2 1 290.407 2.148 20 0 CEADMP CCOc1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261702353 371707165 /nfs/dbraw/zinc/70/71/65/371707165.db2.gz OJRGIHZDVQRIJG-PBHICJAKSA-N 2 1 290.407 2.148 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261702353 371707169 /nfs/dbraw/zinc/70/71/69/371707169.db2.gz OJRGIHZDVQRIJG-PBHICJAKSA-N 2 1 290.407 2.148 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000261734773 371714169 /nfs/dbraw/zinc/71/41/69/371714169.db2.gz RMIQRJUHSVKQKD-UKRRQHHQSA-N 2 1 290.407 2.196 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000261734773 371714170 /nfs/dbraw/zinc/71/41/70/371714170.db2.gz RMIQRJUHSVKQKD-UKRRQHHQSA-N 2 1 290.407 2.196 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](CCc2cn[nH]c2)CC1 ZINC000639986485 371714404 /nfs/dbraw/zinc/71/44/04/371714404.db2.gz NKJNJGSYIGUDQR-UHFFFAOYSA-N 2 1 276.428 2.293 20 0 CEADMP Cn1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c(-c2cccs2)n1 ZINC000261751628 371720512 /nfs/dbraw/zinc/72/05/12/371720512.db2.gz LELXRJMZGFZQGV-HNNXBMFYSA-N 2 1 290.436 2.319 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(-c2cccs2)n1 ZINC000261751628 371720519 /nfs/dbraw/zinc/72/05/19/371720519.db2.gz LELXRJMZGFZQGV-HNNXBMFYSA-N 2 1 290.436 2.319 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1scnc1C1CC1 ZINC000261755720 371722032 /nfs/dbraw/zinc/72/20/32/371722032.db2.gz CNUHBDVSBJVQEZ-NXEZZACHSA-N 2 1 251.399 2.190 20 0 CEADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000361220964 371723537 /nfs/dbraw/zinc/72/35/37/371723537.db2.gz PKZRXGNLNRGDQC-ULQDDVLXSA-N 2 1 276.424 2.143 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000261803655 371737452 /nfs/dbraw/zinc/73/74/52/371737452.db2.gz HEIKTKWSIHGUIX-AWEZNQCLSA-N 2 1 264.417 2.333 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000261804744 371738055 /nfs/dbraw/zinc/73/80/55/371738055.db2.gz WGPQZBSWYDFAFY-AWEZNQCLSA-N 2 1 270.323 2.459 20 0 CEADMP C[N@@H+](CCc1ccc(F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261867798 371754953 /nfs/dbraw/zinc/75/49/53/371754953.db2.gz OCTJRXVWKLRJKW-OAHLLOKOSA-N 2 1 250.361 2.300 20 0 CEADMP C[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000261870574 371755128 /nfs/dbraw/zinc/75/51/28/371755128.db2.gz ORRLBDITAPSRRF-GJZGRUSLSA-N 2 1 280.460 2.363 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@]2(C)CC[NH2+]C2)C12CCC2 ZINC000261880762 371759558 /nfs/dbraw/zinc/75/95/58/371759558.db2.gz QVWNJFVLHYZFDK-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP COc1cc(C)c(C[N@H+](C)C[C@]2(C)CC[NH2+]C2)cc1OC ZINC000261882953 371760819 /nfs/dbraw/zinc/76/08/19/371760819.db2.gz RKCCUQISGIGOIB-QGZVFWFLSA-N 2 1 292.423 2.444 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)cc1OC ZINC000261882953 371760829 /nfs/dbraw/zinc/76/08/29/371760829.db2.gz RKCCUQISGIGOIB-QGZVFWFLSA-N 2 1 292.423 2.444 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261900380 371767161 /nfs/dbraw/zinc/76/71/61/371767161.db2.gz VWXJCEGRFPIYLP-CZUORRHYSA-N 2 1 262.397 2.255 20 0 CEADMP COCC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CC[C@@H](C)C1 ZINC000261930751 371774201 /nfs/dbraw/zinc/77/42/01/371774201.db2.gz LOHJTMOVWPEXSA-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261986626 371790629 /nfs/dbraw/zinc/79/06/29/371790629.db2.gz JTWXVVQSYWBDBC-KRWDZBQOSA-N 2 1 274.408 2.443 20 0 CEADMP CCc1cc(OC)ccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000337340407 214017666 /nfs/dbraw/zinc/01/76/66/214017666.db2.gz PIAVOMWXOCJUHI-UHFFFAOYSA-N 2 1 262.397 2.441 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000262156172 371830501 /nfs/dbraw/zinc/83/05/01/371830501.db2.gz SRIBZPFXSPXZPS-CJNGLKHVSA-N 2 1 283.460 2.131 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccnn1-c1ccccc1 ZINC000262011078 371799743 /nfs/dbraw/zinc/79/97/43/371799743.db2.gz VCURIQPPTBRPQW-KGLIPLIRSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccnn1-c1ccccc1 ZINC000262011078 371799746 /nfs/dbraw/zinc/79/97/46/371799746.db2.gz VCURIQPPTBRPQW-KGLIPLIRSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@]1(C)CC[NH2+]C1)c1nccs1 ZINC000262041076 371807998 /nfs/dbraw/zinc/80/79/98/371807998.db2.gz PCUPPYBPFOOWOM-DGCLKSJQSA-N 2 1 253.415 2.178 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]3c3ccccc3)C[C@@H]2C1 ZINC000361382134 371820135 /nfs/dbraw/zinc/82/01/35/371820135.db2.gz SPNJLMHIIHVWCE-NXOAAHMSSA-N 2 1 256.393 2.284 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C[C@@H]2C1 ZINC000361382134 371820145 /nfs/dbraw/zinc/82/01/45/371820145.db2.gz SPNJLMHIIHVWCE-NXOAAHMSSA-N 2 1 256.393 2.284 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C[C@@H]2C1 ZINC000361382134 371820152 /nfs/dbraw/zinc/82/01/52/371820152.db2.gz SPNJLMHIIHVWCE-NXOAAHMSSA-N 2 1 256.393 2.284 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]21 ZINC000262090437 371821958 /nfs/dbraw/zinc/82/19/58/371821958.db2.gz HXVXIGQOYQVGQN-BPQIPLTHSA-N 2 1 296.418 2.432 20 0 CEADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CCC(C)(C)OC ZINC000344152660 217076762 /nfs/dbraw/zinc/07/67/62/217076762.db2.gz HVJPMJDOQPRQOE-UHFFFAOYSA-N 2 1 299.503 2.151 20 0 CEADMP C[C@@H](O)CCC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533397 372024160 /nfs/dbraw/zinc/02/41/60/372024160.db2.gz HSVOVYVOFREADX-OAHLLOKOSA-N 2 1 256.434 2.345 20 0 CEADMP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000361731131 372044111 /nfs/dbraw/zinc/04/41/11/372044111.db2.gz FPYPZPHOOMXEMW-CKEIUWERSA-N 2 1 292.423 2.392 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]C/C=C\c2ccc(F)cc2)CC1 ZINC000361798479 372077732 /nfs/dbraw/zinc/07/77/32/372077732.db2.gz MDCNCWYXMQIKOC-IHWYPQMZSA-N 2 1 292.398 2.275 20 0 CEADMP C[C@H](CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268805365 372230562 /nfs/dbraw/zinc/23/05/62/372230562.db2.gz CGYFRLRFCKKMIU-ZOBUZTSGSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H](CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268805365 372230565 /nfs/dbraw/zinc/23/05/65/372230565.db2.gz CGYFRLRFCKKMIU-ZOBUZTSGSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCOc2ccccc2F)CC[N@@H+]1C ZINC000268699960 372185154 /nfs/dbraw/zinc/18/51/54/372185154.db2.gz AWHVFYBBOCYKGH-QWHCGFSZSA-N 2 1 266.360 2.277 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCOc2ccccc2F)CC[N@H+]1C ZINC000268699960 372185161 /nfs/dbraw/zinc/18/51/61/372185161.db2.gz AWHVFYBBOCYKGH-QWHCGFSZSA-N 2 1 266.360 2.277 20 0 CEADMP CC[C@H](C(=O)NCc1cccc(C[N@@H+](C)CC)c1)[NH+](C)C ZINC000268714736 372190714 /nfs/dbraw/zinc/19/07/14/372190714.db2.gz FYAZOAROELMVJU-MRXNPFEDSA-N 2 1 291.439 2.095 20 0 CEADMP COCC[N@@H+](CCCn1ccnc1)[C@@H]1CC[C@@H](C)C1 ZINC000362154493 372248391 /nfs/dbraw/zinc/24/83/91/372248391.db2.gz HQELPVMUBMNRJN-HUUCEWRRSA-N 2 1 265.401 2.410 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC000362230679 372278033 /nfs/dbraw/zinc/27/80/33/372278033.db2.gz NTICCNUEPJIJCN-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000362230679 372278038 /nfs/dbraw/zinc/27/80/38/372278038.db2.gz NTICCNUEPJIJCN-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000362230679 372278043 /nfs/dbraw/zinc/27/80/43/372278043.db2.gz NTICCNUEPJIJCN-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@](C)(O)c1cccs1 ZINC000268964987 372303774 /nfs/dbraw/zinc/30/37/74/372303774.db2.gz GUFJSBASQZTISJ-CXTNEJHOSA-N 2 1 282.453 2.274 20 0 CEADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)[NH+](CC)CC ZINC000362650561 372473241 /nfs/dbraw/zinc/47/32/41/372473241.db2.gz CFHYJZDZWBHBMC-HOTGVXAUSA-N 2 1 297.487 2.201 20 0 CEADMP C[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000362636110 372466883 /nfs/dbraw/zinc/46/68/83/372466883.db2.gz LVCZVBPTQZUHFE-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cccc(C)c1 ZINC000641773680 372717800 /nfs/dbraw/zinc/71/78/00/372717800.db2.gz ZGICJHHNRADPSQ-INIZCTEOSA-N 2 1 264.413 2.177 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cccc2cc[nH]c21 ZINC000641772893 372716183 /nfs/dbraw/zinc/71/61/83/372716183.db2.gz UZBFOHQNBSLRAF-MRXNPFEDSA-N 2 1 289.423 2.350 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000641803092 372748129 /nfs/dbraw/zinc/74/81/29/372748129.db2.gz DPJNQFMMWNYFQB-CABCVRRESA-N 2 1 270.380 2.088 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000641803904 372748784 /nfs/dbraw/zinc/74/87/84/372748784.db2.gz FXLASIKTRCFUMX-ZLCQRPCESA-N 2 1 295.471 2.031 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cn2)[C@@H]2CCC[C@H]21 ZINC000353409272 220067973 /nfs/dbraw/zinc/06/79/73/220067973.db2.gz WHPWYCDBIBJTPD-SOUVJXGZSA-N 2 1 263.360 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cn2)[C@@H]2CCC[C@H]21 ZINC000353409272 220067975 /nfs/dbraw/zinc/06/79/75/220067975.db2.gz WHPWYCDBIBJTPD-SOUVJXGZSA-N 2 1 263.360 2.183 20 0 CEADMP CSc1ccc(NC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641807862 372755112 /nfs/dbraw/zinc/75/51/12/372755112.db2.gz SJFSPYAUASLYES-STQMWFEESA-N 2 1 293.436 2.062 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000270394394 372769213 /nfs/dbraw/zinc/76/92/13/372769213.db2.gz SYYIDNMVJZBPGE-HNNXBMFYSA-N 2 1 275.396 2.089 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3CCC(C)(C)C3)CC2)C1 ZINC000365044627 372800099 /nfs/dbraw/zinc/80/00/99/372800099.db2.gz RJHPJCAGEKKEJA-HZPDHXFCSA-N 2 1 279.472 2.277 20 0 CEADMP COCCSCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000365345020 372833024 /nfs/dbraw/zinc/83/30/24/372833024.db2.gz QCFACBCCIJTOOX-OAHLLOKOSA-N 2 1 286.485 2.174 20 0 CEADMP C[C@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)[N@H+]1CCCC[C@H]1C ZINC000344637716 217258037 /nfs/dbraw/zinc/25/80/37/217258037.db2.gz FYMGKZYTQSKXFU-FXUDXRNXSA-N 2 1 295.471 2.238 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCOC(C)(C)C2)cc1 ZINC000643058228 372938212 /nfs/dbraw/zinc/93/82/12/372938212.db2.gz ZABHPTCNLJFWAP-OAHLLOKOSA-N 2 1 292.423 2.238 20 0 CEADMP C[NH+](C)CCOC1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000353524062 220136877 /nfs/dbraw/zinc/13/68/77/220136877.db2.gz ZLUHSOOBCGSJAK-UHFFFAOYSA-N 2 1 286.803 2.476 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000270904621 373008303 /nfs/dbraw/zinc/00/83/03/373008303.db2.gz RVLJMJVJRFMLJA-QGZVFWFLSA-N 2 1 285.391 2.173 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000270904621 373008311 /nfs/dbraw/zinc/00/83/11/373008311.db2.gz RVLJMJVJRFMLJA-QGZVFWFLSA-N 2 1 285.391 2.173 20 0 CEADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000344823224 217322945 /nfs/dbraw/zinc/32/29/45/217322945.db2.gz IHLAFOCTNIJDCG-OAHLLOKOSA-N 2 1 276.428 2.243 20 0 CEADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000344823224 217322946 /nfs/dbraw/zinc/32/29/46/217322946.db2.gz IHLAFOCTNIJDCG-OAHLLOKOSA-N 2 1 276.428 2.243 20 0 CEADMP CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C[C@@H](C)OC ZINC000643357089 373087197 /nfs/dbraw/zinc/08/71/97/373087197.db2.gz DZRVLJIIILQYIQ-OAHLLOKOSA-N 2 1 294.439 2.484 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000366649161 373102074 /nfs/dbraw/zinc/10/20/74/373102074.db2.gz CRXFAUHYUAATAY-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000366649161 373102083 /nfs/dbraw/zinc/10/20/83/373102083.db2.gz CRXFAUHYUAATAY-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000366649161 373102091 /nfs/dbraw/zinc/10/20/91/373102091.db2.gz CRXFAUHYUAATAY-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)nc1 ZINC000643427636 373115035 /nfs/dbraw/zinc/11/50/35/373115035.db2.gz GJWBWYKIVFBLFX-MJBXVCDLSA-N 2 1 277.412 2.286 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)nc1 ZINC000643427636 373115040 /nfs/dbraw/zinc/11/50/40/373115040.db2.gz GJWBWYKIVFBLFX-MJBXVCDLSA-N 2 1 277.412 2.286 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc3ccccn23)C[C@@H]1C[NH3+] ZINC000643427598 373115132 /nfs/dbraw/zinc/11/51/32/373115132.db2.gz KLQBRKIYSUVSCU-RDBSUJKOSA-N 2 1 272.396 2.140 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)[C@H]2CCC[C@H]21 ZINC000367638282 373171782 /nfs/dbraw/zinc/17/17/82/373171782.db2.gz OGRCUAVSDKDPEB-YYIAUSFCSA-N 2 1 292.398 2.322 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C12CCC2 ZINC000643501837 373158999 /nfs/dbraw/zinc/15/89/99/373158999.db2.gz QYEKCQDNMRJLQA-MELADBBJSA-N 2 1 252.402 2.066 20 0 CEADMP C[C@H](CCc1cccc(F)c1)[NH2+]CC[NH2+]C1CC1 ZINC000643506213 373164087 /nfs/dbraw/zinc/16/40/87/373164087.db2.gz OSJFTIIOJOULKA-GFCCVEGCSA-N 2 1 250.361 2.488 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643505974 373164426 /nfs/dbraw/zinc/16/44/26/373164426.db2.gz GLXIXLXGVJMJFU-ZDUSSCGKSA-N 2 1 262.397 2.358 20 0 CEADMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367607769 373167950 /nfs/dbraw/zinc/16/79/50/373167950.db2.gz OZBYZJAZOAENCC-BBWFWOEESA-N 2 1 279.472 2.322 20 0 CEADMP C[N@@H+]([C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1C=CCCC1 ZINC000367622826 373167999 /nfs/dbraw/zinc/16/79/99/373167999.db2.gz KKNXWPXBUBRVGX-WBVHZDCISA-N 2 1 277.456 2.195 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)O1 ZINC000366903302 373128949 /nfs/dbraw/zinc/12/89/49/373128949.db2.gz OJJQYLCZXAHTOO-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]([NH3+])C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000643526786 373182787 /nfs/dbraw/zinc/18/27/87/373182787.db2.gz GKBWUYXVCYCZFA-OOHWJJMZSA-N 3 1 275.440 2.366 20 0 CEADMP C[C@H](N)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000643526786 373182793 /nfs/dbraw/zinc/18/27/93/373182793.db2.gz GKBWUYXVCYCZFA-OOHWJJMZSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H](N)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000643526786 373182800 /nfs/dbraw/zinc/18/28/00/373182800.db2.gz GKBWUYXVCYCZFA-OOHWJJMZSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H]([NH3+])CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000643527831 373184742 /nfs/dbraw/zinc/18/47/42/373184742.db2.gz TZKVXWODQJNBDP-QSPRXWTASA-N 2 1 273.424 2.119 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000643527785 373185535 /nfs/dbraw/zinc/18/55/35/373185535.db2.gz SOUCQWUFTSZPCO-QPUJVOFHSA-N 2 1 269.186 2.373 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000643528110 373185590 /nfs/dbraw/zinc/18/55/90/373185590.db2.gz ZPMNYJNJEDCUEI-UFBFGSQYSA-N 2 1 269.186 2.373 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccncc1 ZINC000271432612 373188803 /nfs/dbraw/zinc/18/88/03/373188803.db2.gz BEYFXSRBXWBZBU-RRQGHBQHSA-N 2 1 289.423 2.110 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(CO)c1 ZINC000271966015 373237877 /nfs/dbraw/zinc/23/78/77/373237877.db2.gz MMYHZPSBVJFXNH-IAOVAPTHSA-N 2 1 274.408 2.456 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(CO)c1 ZINC000271966015 373237888 /nfs/dbraw/zinc/23/78/88/373237888.db2.gz MMYHZPSBVJFXNH-IAOVAPTHSA-N 2 1 274.408 2.456 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2C2CC2)[C@@H]2CCC[C@@H]21 ZINC000353589444 220176776 /nfs/dbraw/zinc/17/67/76/220176776.db2.gz GLRGSPZSIPITFA-XSLAGTTESA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@@H]2CCC[C@@H]21 ZINC000353589444 220176778 /nfs/dbraw/zinc/17/67/78/220176778.db2.gz GLRGSPZSIPITFA-XSLAGTTESA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+]2C2CC2)[C@@H]2CCC[C@@H]21 ZINC000353589444 220176780 /nfs/dbraw/zinc/17/67/80/220176780.db2.gz GLRGSPZSIPITFA-XSLAGTTESA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)[C@@H]2CCC[C@@H]21 ZINC000353589444 220176782 /nfs/dbraw/zinc/17/67/82/220176782.db2.gz GLRGSPZSIPITFA-XSLAGTTESA-N 2 1 291.483 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)[C@@H]2CCC[C@@H]21 ZINC000353589444 220176784 /nfs/dbraw/zinc/17/67/84/220176784.db2.gz GLRGSPZSIPITFA-XSLAGTTESA-N 2 1 291.483 2.466 20 0 CEADMP CCc1nn(C)c(Cl)c1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369376943 373400153 /nfs/dbraw/zinc/40/01/53/373400153.db2.gz BSUYQEYNAMDCPX-VXGBXAGGSA-N 2 1 296.846 2.352 20 0 CEADMP OCc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000272371770 373450929 /nfs/dbraw/zinc/45/09/29/373450929.db2.gz USNAPFLITVVOOO-SFHVURJKSA-N 2 1 288.435 2.487 20 0 CEADMP OCc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000272371770 373450948 /nfs/dbraw/zinc/45/09/48/373450948.db2.gz USNAPFLITVVOOO-SFHVURJKSA-N 2 1 288.435 2.487 20 0 CEADMP OCc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000272330233 373432566 /nfs/dbraw/zinc/43/25/66/373432566.db2.gz MLKRWLPHDASORK-QGZVFWFLSA-N 2 1 274.408 2.097 20 0 CEADMP OCc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000272330233 373432570 /nfs/dbraw/zinc/43/25/70/373432570.db2.gz MLKRWLPHDASORK-QGZVFWFLSA-N 2 1 274.408 2.097 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cncs3)C2)CC1 ZINC000369703008 373493016 /nfs/dbraw/zinc/49/30/16/373493016.db2.gz LESRKLJTEJIORQ-UHFFFAOYSA-N 2 1 265.426 2.451 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC1(O)CCC(C)CC1 ZINC000644525406 373510552 /nfs/dbraw/zinc/51/05/52/373510552.db2.gz HRFVYUGDBAQQBJ-NPCAHTBFSA-N 2 1 279.428 2.358 20 0 CEADMP COCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000369905765 373532595 /nfs/dbraw/zinc/53/25/95/373532595.db2.gz GNBLPSQUWHUAOW-NVXWUHKLSA-N 2 1 276.424 2.475 20 0 CEADMP COCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000369905765 373532602 /nfs/dbraw/zinc/53/26/02/373532602.db2.gz GNBLPSQUWHUAOW-NVXWUHKLSA-N 2 1 276.424 2.475 20 0 CEADMP COCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000369905765 373532606 /nfs/dbraw/zinc/53/26/06/373532606.db2.gz GNBLPSQUWHUAOW-NVXWUHKLSA-N 2 1 276.424 2.475 20 0 CEADMP COCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000369905765 373532612 /nfs/dbraw/zinc/53/26/12/373532612.db2.gz GNBLPSQUWHUAOW-NVXWUHKLSA-N 2 1 276.424 2.475 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1CC(F)(F)C1 ZINC000644652171 373582568 /nfs/dbraw/zinc/58/25/68/373582568.db2.gz XSKXIYHAXXORIH-HNNXBMFYSA-N 2 1 298.377 2.114 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1CC(F)(F)C1 ZINC000644652171 373582571 /nfs/dbraw/zinc/58/25/71/373582571.db2.gz XSKXIYHAXXORIH-HNNXBMFYSA-N 2 1 298.377 2.114 20 0 CEADMP Cc1ccc([C@@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000644571584 373537915 /nfs/dbraw/zinc/53/79/15/373537915.db2.gz GWSVLHITKJLVDY-WMLDXEAASA-N 2 1 276.424 2.143 20 0 CEADMP Cc1ccc([C@@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000644571584 373537920 /nfs/dbraw/zinc/53/79/20/373537920.db2.gz GWSVLHITKJLVDY-WMLDXEAASA-N 2 1 276.424 2.143 20 0 CEADMP Cn1ccnc1[C@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000370060545 373568366 /nfs/dbraw/zinc/56/83/66/373568366.db2.gz CBVMBEKKCCXFRX-HNNXBMFYSA-N 2 1 276.428 2.085 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247176679 220220451 /nfs/dbraw/zinc/22/04/51/220220451.db2.gz ROGBKIDWDOGGKE-ZFWWWQNUSA-N 2 1 290.407 2.278 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247176679 220220459 /nfs/dbraw/zinc/22/04/59/220220459.db2.gz ROGBKIDWDOGGKE-ZFWWWQNUSA-N 2 1 290.407 2.278 20 0 CEADMP Cc1cc(C2CC[NH+](CCCn3ccnc3C)CC2)n[nH]1 ZINC000272926357 373714799 /nfs/dbraw/zinc/71/47/99/373714799.db2.gz JLONHQPMIMYEPE-UHFFFAOYSA-N 2 1 287.411 2.493 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000370504777 373672403 /nfs/dbraw/zinc/67/24/03/373672403.db2.gz LYZCTTQEQZXBFM-CABCVRRESA-N 2 1 276.428 2.464 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000370504777 373672411 /nfs/dbraw/zinc/67/24/11/373672411.db2.gz LYZCTTQEQZXBFM-CABCVRRESA-N 2 1 276.428 2.464 20 0 CEADMP CSCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370620145 373700629 /nfs/dbraw/zinc/70/06/29/373700629.db2.gz LJPILGFZQPWFBZ-RRFJBIMHSA-N 2 1 286.485 2.219 20 0 CEADMP COCCCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000370649939 373704364 /nfs/dbraw/zinc/70/43/64/373704364.db2.gz IWBQTKWJCZMUMF-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP COCCCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000370649939 373704372 /nfs/dbraw/zinc/70/43/72/373704372.db2.gz IWBQTKWJCZMUMF-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CC[C@@H](C3CCC3)C2)n1C ZINC000644904283 373771631 /nfs/dbraw/zinc/77/16/31/373771631.db2.gz MGGHPQNGOJEXQZ-CYBMUJFWSA-N 2 1 262.401 2.108 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](Nc2nc3ccc(F)cc3n2C)C1 ZINC000644863026 373747753 /nfs/dbraw/zinc/74/77/53/373747753.db2.gz CZUKVWJGXRUCJV-GXFFZTMASA-N 2 1 276.359 2.465 20 0 CEADMP CCc1nc(C(C)C)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000645078494 373841470 /nfs/dbraw/zinc/84/14/70/373841470.db2.gz LXZKQJVKIXHYNV-GJZGRUSLSA-N 2 1 273.424 2.419 20 0 CEADMP CC(C)[NH+]1CCN(C2CC[NH+](C/C=C/Cl)CC2)CC1 ZINC000371346520 373851551 /nfs/dbraw/zinc/85/15/51/373851551.db2.gz YDJOWBUHJFGDNU-ZZXKWVIFSA-N 2 1 285.863 2.229 20 0 CEADMP Cc1[nH]c2nc[nH+]c(NC[C@@H](C)C[NH+](C)C)c2c1C ZINC000645246912 373943497 /nfs/dbraw/zinc/94/34/97/373943497.db2.gz MNVWTNBKJSDHCD-SECBINFHSA-N 2 1 261.373 2.184 20 0 CEADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000275255346 374199286 /nfs/dbraw/zinc/19/92/86/374199286.db2.gz JBAWECHPQNPSMZ-XJKSGUPXSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000275255346 374199290 /nfs/dbraw/zinc/19/92/90/374199290.db2.gz JBAWECHPQNPSMZ-XJKSGUPXSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000275255346 374199294 /nfs/dbraw/zinc/19/92/94/374199294.db2.gz JBAWECHPQNPSMZ-XJKSGUPXSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000275255346 374199297 /nfs/dbraw/zinc/19/92/97/374199297.db2.gz JBAWECHPQNPSMZ-XJKSGUPXSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000276686892 374266612 /nfs/dbraw/zinc/26/66/12/374266612.db2.gz RMKLPUHWQOWCFZ-LBPRGKRZSA-N 2 1 259.353 2.322 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)O)cc1F ZINC000373853487 374433228 /nfs/dbraw/zinc/43/32/28/374433228.db2.gz FVWFERLQWDKYKE-GHMZBOCLSA-N 2 1 277.343 2.351 20 0 CEADMP Cc1ccn2c(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)cnc2c1 ZINC000334209645 206195082 /nfs/dbraw/zinc/19/50/82/206195082.db2.gz DIHYHXNQWCQIPT-KBPBESRZSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1ccn2c(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cnc2c1 ZINC000334209645 206195083 /nfs/dbraw/zinc/19/50/83/206195083.db2.gz DIHYHXNQWCQIPT-KBPBESRZSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1ccn2c(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cnc2c1 ZINC000334209653 206195577 /nfs/dbraw/zinc/19/55/77/206195577.db2.gz DIHYHXNQWCQIPT-KGLIPLIRSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1ccn2c(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cnc2c1 ZINC000334209653 206195581 /nfs/dbraw/zinc/19/55/81/206195581.db2.gz DIHYHXNQWCQIPT-KGLIPLIRSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1cc[nH+]c(NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000277691141 374610984 /nfs/dbraw/zinc/61/09/84/374610984.db2.gz QWJDJJSIPWBBQI-AWEZNQCLSA-N 2 1 263.385 2.303 20 0 CEADMP Cc1cc[nH+]c(NCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000277691141 374610988 /nfs/dbraw/zinc/61/09/88/374610988.db2.gz QWJDJJSIPWBBQI-AWEZNQCLSA-N 2 1 263.385 2.303 20 0 CEADMP O=C1OCC[C@H]1CC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000376798188 374738033 /nfs/dbraw/zinc/73/80/33/374738033.db2.gz DMGZSEJQLPEDGU-HZPDHXFCSA-N 2 1 294.439 2.138 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000278417575 374810073 /nfs/dbraw/zinc/81/00/73/374810073.db2.gz IGDWRRHCLSLLSQ-ABFRBSLYSA-N 2 1 276.424 2.347 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000377551600 374882880 /nfs/dbraw/zinc/88/28/80/374882880.db2.gz YWVKESIVMKZVTJ-RRFJBIMHSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@@H]([NH2+]CCCCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279479321 374890458 /nfs/dbraw/zinc/89/04/58/374890458.db2.gz KQCOMXIYJCZWLL-NVXWUHKLSA-N 2 1 276.424 2.259 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccsc3)C2)CC1 ZINC000377687756 374922870 /nfs/dbraw/zinc/92/28/70/374922870.db2.gz AVVQRVKYPLRGON-MRXNPFEDSA-N 2 1 293.480 2.350 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccsc3)C2)CC1 ZINC000377687756 374922876 /nfs/dbraw/zinc/92/28/76/374922876.db2.gz AVVQRVKYPLRGON-MRXNPFEDSA-N 2 1 293.480 2.350 20 0 CEADMP C[N@@H+](CC1=CCCOC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377710232 374930563 /nfs/dbraw/zinc/93/05/63/374930563.db2.gz WJDQFWICCZBJEO-UHFFFAOYSA-N 2 1 287.407 2.329 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCc3cccnc3)C2)C1 ZINC000334255131 206264588 /nfs/dbraw/zinc/26/45/88/206264588.db2.gz LFTXCXDTVRWOQF-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCc3cccnc3)C2)C1 ZINC000334255131 206264593 /nfs/dbraw/zinc/26/45/93/206264593.db2.gz LFTXCXDTVRWOQF-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3cccnc3)C2)C1 ZINC000334255131 206264596 /nfs/dbraw/zinc/26/45/96/206264596.db2.gz LFTXCXDTVRWOQF-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)o1 ZINC000377629223 374904712 /nfs/dbraw/zinc/90/47/12/374904712.db2.gz RCKLGWQVUBVLAT-INIZCTEOSA-N 2 1 291.439 2.047 20 0 CEADMP C[N@H+](C[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000377660203 374913948 /nfs/dbraw/zinc/91/39/48/374913948.db2.gz UQGHPQOHXJMCEY-MZMPZRCHSA-N 2 1 297.402 2.036 20 0 CEADMP C[N@@H+](C[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000377660203 374913954 /nfs/dbraw/zinc/91/39/54/374913954.db2.gz UQGHPQOHXJMCEY-MZMPZRCHSA-N 2 1 297.402 2.036 20 0 CEADMP C[C@H]([NH3+])[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379655662 375156594 /nfs/dbraw/zinc/15/65/94/375156594.db2.gz MLPTUJVYEPQJBP-AESZEHBQSA-N 2 1 275.440 2.365 20 0 CEADMP Cc1ccc(C)c(OCCC[N@H+](C)C2CC([NH3+])C2)c1 ZINC000384866989 375219105 /nfs/dbraw/zinc/21/91/05/375219105.db2.gz OAYCRXGGGHFAOJ-UHFFFAOYSA-N 2 1 262.397 2.494 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000389867575 375308533 /nfs/dbraw/zinc/30/85/33/375308533.db2.gz MRVLEVBXZFQFRH-DDBAPUKQSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000389867575 375308537 /nfs/dbraw/zinc/30/85/37/375308537.db2.gz MRVLEVBXZFQFRH-DDBAPUKQSA-N 2 1 287.451 2.366 20 0 CEADMP C[N@H+](Cc1cccc(F)c1N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394164962 375327064 /nfs/dbraw/zinc/32/70/64/375327064.db2.gz SQIABDNRQINVQR-PBWFPOADSA-N 2 1 277.387 2.465 20 0 CEADMP C[N@@H+](Cc1cccc(F)c1N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394164962 375327067 /nfs/dbraw/zinc/32/70/67/375327067.db2.gz SQIABDNRQINVQR-PBWFPOADSA-N 2 1 277.387 2.465 20 0 CEADMP C[NH+](Cc1cccc(F)c1N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394164962 375327071 /nfs/dbraw/zinc/32/70/71/375327071.db2.gz SQIABDNRQINVQR-PBWFPOADSA-N 2 1 277.387 2.465 20 0 CEADMP C[NH+](Cc1cccc(F)c1N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394164962 375327074 /nfs/dbraw/zinc/32/70/74/375327074.db2.gz SQIABDNRQINVQR-PBWFPOADSA-N 2 1 277.387 2.465 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000399115049 375359047 /nfs/dbraw/zinc/35/90/47/375359047.db2.gz FSEQNFKUMZTNKF-XYVMCAHJSA-N 2 1 287.451 2.380 20 0 CEADMP CC(C)[C@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)[C@@H](C)[NH3+] ZINC000399402731 375364522 /nfs/dbraw/zinc/36/45/22/375364522.db2.gz SHESPAYTHJDVRV-ZBFHGGJFSA-N 2 1 297.487 2.185 20 0 CEADMP C[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282390948 375473654 /nfs/dbraw/zinc/47/36/54/375473654.db2.gz DOMUWRXTAAWBPO-HOCLYGCPSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282390948 375473660 /nfs/dbraw/zinc/47/36/60/375473660.db2.gz DOMUWRXTAAWBPO-HOCLYGCPSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C=Cc1c[nH]cn1 ZINC000283122663 375659020 /nfs/dbraw/zinc/65/90/20/375659020.db2.gz NAFXZHRULHCFQU-VFNNOXKTSA-N 2 1 298.390 2.060 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C12CCC2 ZINC000414171530 375800571 /nfs/dbraw/zinc/80/05/71/375800571.db2.gz CZFGWXLQPIVYSC-XFIYOXNOSA-N 2 1 278.440 2.406 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414197372 375802758 /nfs/dbraw/zinc/80/27/58/375802758.db2.gz WHYQSOABGKAGFT-ZFWWWQNUSA-N 2 1 276.428 2.119 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccoc2C)CC1 ZINC000414280878 375819337 /nfs/dbraw/zinc/81/93/37/375819337.db2.gz FADQRPBPFSNFHS-UHFFFAOYSA-N 2 1 279.428 2.095 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C[C@@H]12 ZINC000414663578 375907333 /nfs/dbraw/zinc/90/73/33/375907333.db2.gz BKWIQJOJGQRZRG-SMLCLMEVSA-N 2 1 256.393 2.459 20 0 CEADMP CC(C)[C@H]([NH3+])CCN(C)Cc1ncc(C[NH+](C)C)s1 ZINC000414666738 375907862 /nfs/dbraw/zinc/90/78/62/375907862.db2.gz XGBYMNNZQQTVFI-CYBMUJFWSA-N 2 1 284.473 2.010 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414772029 375960821 /nfs/dbraw/zinc/96/08/21/375960821.db2.gz BCSKJZNKVIRUMU-LSDHHAIUSA-N 2 1 289.423 2.220 20 0 CEADMP CC(C)(C)[NH2+]CCN1CC[NH+](Cc2cccs2)CC1 ZINC000414685215 375916289 /nfs/dbraw/zinc/91/62/89/375916289.db2.gz YJBSCIYFATYDIO-UHFFFAOYSA-N 2 1 281.469 2.254 20 0 CEADMP [NH3+]CCC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000414702558 375930535 /nfs/dbraw/zinc/93/05/35/375930535.db2.gz IPSPRVLKHFJFJL-ZDUSSCGKSA-N 2 1 250.411 2.449 20 0 CEADMP Cc1ccc(C[N@H+](CCO)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414705579 375932638 /nfs/dbraw/zinc/93/26/38/375932638.db2.gz FNABECRMQKTTLB-DOTOQJQBSA-N 2 1 276.424 2.177 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000414711860 375935532 /nfs/dbraw/zinc/93/55/32/375935532.db2.gz SYGXICADLQHHDV-NVXWUHKLSA-N 2 1 298.471 2.410 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC000414713838 375937252 /nfs/dbraw/zinc/93/72/52/375937252.db2.gz UOOLWGFFGKVKHD-KBAYOESNSA-N 2 1 288.435 2.318 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+]2CCNC[C@@H]2c2cccc(F)c2)CC[NH2+]1 ZINC000414729411 375941800 /nfs/dbraw/zinc/94/18/00/375941800.db2.gz DQFOTAZDCMRFOI-CKEIUWERSA-N 2 1 291.414 2.160 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCNC[C@@H]2c2cccc(F)c2)CC[NH2+]1 ZINC000414729411 375941807 /nfs/dbraw/zinc/94/18/07/375941807.db2.gz DQFOTAZDCMRFOI-CKEIUWERSA-N 2 1 291.414 2.160 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)CC[NH2+]1 ZINC000414730827 375942140 /nfs/dbraw/zinc/94/21/40/375942140.db2.gz BBGRFPLSLLHSET-FVCCEPFGSA-N 2 1 294.361 2.152 20 0 CEADMP [NH3+]CCC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000414743533 375947388 /nfs/dbraw/zinc/94/73/88/375947388.db2.gz NFCNNQHMGLTCCK-UHFFFAOYSA-N 2 1 266.360 2.156 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000414804821 375991687 /nfs/dbraw/zinc/99/16/87/375991687.db2.gz XWEFJTDUVKIDPB-LBPRGKRZSA-N 2 1 264.398 2.211 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC(C)(C)[NH3+])C1 ZINC000414809615 375994709 /nfs/dbraw/zinc/99/47/09/375994709.db2.gz VUDGZIPXAWXSIM-DZGCQCFKSA-N 2 1 261.413 2.149 20 0 CEADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CC(C)(C)[NH3+])C1 ZINC000414809615 375994713 /nfs/dbraw/zinc/99/47/13/375994713.db2.gz VUDGZIPXAWXSIM-DZGCQCFKSA-N 2 1 261.413 2.149 20 0 CEADMP COC(=O)c1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)o1 ZINC000414811575 375998002 /nfs/dbraw/zinc/99/80/02/375998002.db2.gz PSNFTIDLJZZKOQ-LLVKDONJSA-N 2 1 288.347 2.376 20 0 CEADMP C[C@H]([NH2+]Cc1cncc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000414818248 376004660 /nfs/dbraw/zinc/00/46/60/376004660.db2.gz DISQQHOWBRYZLT-JQWIXIFHSA-N 2 1 298.228 2.322 20 0 CEADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000684825420 542073045 /nfs/dbraw/zinc/07/30/45/542073045.db2.gz OWDJRKAUORJXKU-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H]([NH3+])CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000414821771 376009507 /nfs/dbraw/zinc/00/95/07/376009507.db2.gz LTUGOSQXRGMIOO-DZJNRPSUSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000414821771 376009513 /nfs/dbraw/zinc/00/95/13/376009513.db2.gz LTUGOSQXRGMIOO-DZJNRPSUSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000414821771 376009516 /nfs/dbraw/zinc/00/95/16/376009516.db2.gz LTUGOSQXRGMIOO-DZJNRPSUSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000414926550 376013728 /nfs/dbraw/zinc/01/37/28/376013728.db2.gz NLADPKVWPRRMTO-UAGQMJEPSA-N 2 1 273.424 2.164 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H](C[NH3+])C2CC2)C1 ZINC000414799178 375982628 /nfs/dbraw/zinc/98/26/28/375982628.db2.gz JVCQIXAZORDXRS-KBRIMQKVSA-N 2 1 273.424 2.149 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000414804991 375990934 /nfs/dbraw/zinc/99/09/34/375990934.db2.gz FYRNTUZHSUGECA-UHFFFAOYSA-N 2 1 293.436 2.207 20 0 CEADMP COCCc1ccnc(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000287398431 376222685 /nfs/dbraw/zinc/22/26/85/376222685.db2.gz IZLBZQFPPKYDFQ-VNHYZAJKSA-N 2 1 277.412 2.411 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)c(F)cn1 ZINC000287817885 376321235 /nfs/dbraw/zinc/32/12/35/376321235.db2.gz VBBFOMCUYNIMJQ-LLVKDONJSA-N 2 1 292.358 2.475 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@H](CC(C)C)OC)CC1 ZINC000419221380 376400385 /nfs/dbraw/zinc/40/03/85/376400385.db2.gz VVGOWDUDSXWVFL-HNNXBMFYSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H](CC(C)C)OC)CC1 ZINC000419221380 376400387 /nfs/dbraw/zinc/40/03/87/376400387.db2.gz VVGOWDUDSXWVFL-HNNXBMFYSA-N 2 1 256.434 2.464 20 0 CEADMP Cc1ccncc1CCC[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000289589556 376410966 /nfs/dbraw/zinc/41/09/66/376410966.db2.gz IKYIJZDOMURVLF-UHFFFAOYSA-N 2 1 283.375 2.482 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000289597884 376414974 /nfs/dbraw/zinc/41/49/74/376414974.db2.gz SRAXOTOJOWHUEO-OKZBNKHCSA-N 2 1 288.435 2.367 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000289597884 376414977 /nfs/dbraw/zinc/41/49/77/376414977.db2.gz SRAXOTOJOWHUEO-OKZBNKHCSA-N 2 1 288.435 2.367 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000262826948 190063330 /nfs/dbraw/zinc/06/33/30/190063330.db2.gz HLXAMBCWYDMEAE-KBMXLJTQSA-N 2 1 289.423 2.018 20 0 CEADMP CN(CC[C@H]1CCC[N@H+]1C)C(C)(C)C[NH+]1CCCC1 ZINC000419376042 376448029 /nfs/dbraw/zinc/44/80/29/376448029.db2.gz RJJQMXXZNNYNOE-OAHLLOKOSA-N 2 1 267.461 2.277 20 0 CEADMP Cc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000289687425 376448368 /nfs/dbraw/zinc/44/83/68/376448368.db2.gz FHJVFBLHKGWGLW-UHFFFAOYSA-N 2 1 279.428 2.046 20 0 CEADMP Cc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000289687425 376448373 /nfs/dbraw/zinc/44/83/73/376448373.db2.gz FHJVFBLHKGWGLW-UHFFFAOYSA-N 2 1 279.428 2.046 20 0 CEADMP c1nn2ccccc2c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000556912779 376517140 /nfs/dbraw/zinc/51/71/40/376517140.db2.gz PISPLWYIWXZESL-UHFFFAOYSA-N 2 1 284.407 2.298 20 0 CEADMP COc1cccc(C2(C[NH2+]C3CC[NH+](C)CC3)CC2)c1 ZINC000289819979 376517795 /nfs/dbraw/zinc/51/77/95/376517795.db2.gz MCTMSFOGAVRGJM-UHFFFAOYSA-N 2 1 274.408 2.411 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CCCO1 ZINC000556937457 376520086 /nfs/dbraw/zinc/52/00/86/376520086.db2.gz WHRNSXFLBNTPJK-CAOSSQGBSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CCCO1 ZINC000556937457 376520092 /nfs/dbraw/zinc/52/00/92/376520092.db2.gz WHRNSXFLBNTPJK-CAOSSQGBSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)CCCO1 ZINC000556937458 376520464 /nfs/dbraw/zinc/52/04/64/376520464.db2.gz WHRNSXFLBNTPJK-JONQDZQNSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)CCCO1 ZINC000556937458 376520468 /nfs/dbraw/zinc/52/04/68/376520468.db2.gz WHRNSXFLBNTPJK-JONQDZQNSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@]1(CNCc2cc[nH]n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309745880 376602601 /nfs/dbraw/zinc/60/26/01/376602601.db2.gz UHPCCHMSGSGHDY-QGZVFWFLSA-N 2 1 284.407 2.412 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000290020220 376604639 /nfs/dbraw/zinc/60/46/39/376604639.db2.gz PHMZACZUUMOKRL-QGPMSJSTSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000290020220 376604649 /nfs/dbraw/zinc/60/46/49/376604649.db2.gz PHMZACZUUMOKRL-QGPMSJSTSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000290020220 376604659 /nfs/dbraw/zinc/60/46/59/376604659.db2.gz PHMZACZUUMOKRL-QGPMSJSTSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000290020220 376604668 /nfs/dbraw/zinc/60/46/68/376604668.db2.gz PHMZACZUUMOKRL-QGPMSJSTSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290020220 376604678 /nfs/dbraw/zinc/60/46/78/376604678.db2.gz PHMZACZUUMOKRL-QGPMSJSTSA-N 2 1 288.435 2.320 20 0 CEADMP Cc1c[nH]nc1CNCCC[N@H+]1CCc2ccccc2C1 ZINC000289948474 376571493 /nfs/dbraw/zinc/57/14/93/376571493.db2.gz QAVPZZDFOVMVIT-UHFFFAOYSA-N 2 1 284.407 2.256 20 0 CEADMP CC(C)SCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000290038851 376614018 /nfs/dbraw/zinc/61/40/18/376614018.db2.gz FQLBPABFHLQHTC-UHFFFAOYSA-N 2 1 253.415 2.379 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N(C)CC[C@@H]([NH3+])C(C)C ZINC000420211569 376618550 /nfs/dbraw/zinc/61/85/50/376618550.db2.gz WAKRMYRMJLWWFV-CYBMUJFWSA-N 2 1 279.384 2.068 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H]1CCC12CCOCC2)C(C)C ZINC000558623936 376624280 /nfs/dbraw/zinc/62/42/80/376624280.db2.gz FHGZSGHPPGMZDR-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H]1CCC12CCOCC2)C(C)C ZINC000558623936 376624291 /nfs/dbraw/zinc/62/42/91/376624291.db2.gz FHGZSGHPPGMZDR-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N1CCC(CC[NH2+]C)CC1 ZINC000420227633 376632617 /nfs/dbraw/zinc/63/26/17/376632617.db2.gz OSULAIPBIVTTEN-UHFFFAOYSA-N 2 1 291.395 2.084 20 0 CEADMP CCC[C@H]1C[NH2+]CCN1c1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000420243547 376652233 /nfs/dbraw/zinc/65/22/33/376652233.db2.gz XWWWMZJVNMLROB-ZDUSSCGKSA-N 2 1 291.443 2.244 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000312511914 376718086 /nfs/dbraw/zinc/71/80/86/376718086.db2.gz NFEQOECJWDACGN-INIZCTEOSA-N 2 1 282.428 2.138 20 0 CEADMP CCOC(=O)CCCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000312511914 376718092 /nfs/dbraw/zinc/71/80/92/376718092.db2.gz NFEQOECJWDACGN-INIZCTEOSA-N 2 1 282.428 2.138 20 0 CEADMP CCOC(=O)CCCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000312511914 376718096 /nfs/dbraw/zinc/71/80/96/376718096.db2.gz NFEQOECJWDACGN-INIZCTEOSA-N 2 1 282.428 2.138 20 0 CEADMP CC(C)c1cc(N2CC[C@@H](C)C[C@@H]2C[NH3+])nc(N(C)C)[nH+]1 ZINC000420263522 376673934 /nfs/dbraw/zinc/67/39/34/376673934.db2.gz TWGXKMCAAPFKNH-CHWSQXEVSA-N 2 1 291.443 2.230 20 0 CEADMP CN(CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420388332 376687906 /nfs/dbraw/zinc/68/79/06/376687906.db2.gz WRGSFNOOJYAYGA-QGZVFWFLSA-N 2 1 273.424 2.198 20 0 CEADMP Fc1ccc(/C=C\C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000685420876 542135529 /nfs/dbraw/zinc/13/55/29/542135529.db2.gz YHRPGPVNOMSLDP-JPIVSMNTSA-N 2 1 264.319 2.129 20 0 CEADMP Fc1ccc(/C=C\C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000685420876 542135534 /nfs/dbraw/zinc/13/55/34/542135534.db2.gz YHRPGPVNOMSLDP-JPIVSMNTSA-N 2 1 264.319 2.129 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C)n2)[C@@H](C)C1 ZINC000280582571 542132143 /nfs/dbraw/zinc/13/21/43/542132143.db2.gz MPANUKLTNCUYPK-XJKSGUPXSA-N 2 1 261.413 2.252 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1-n1cncn1 ZINC000685460009 542141714 /nfs/dbraw/zinc/14/17/14/542141714.db2.gz ZNTTWPWCRMYZRJ-UHFFFAOYSA-N 2 1 287.411 2.041 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+](C)CCCn1ccnc1 ZINC000290574279 376837427 /nfs/dbraw/zinc/83/74/27/376837427.db2.gz UBBLYQKOKHPXHH-UHFFFAOYSA-N 2 1 289.427 2.264 20 0 CEADMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000328640368 376868831 /nfs/dbraw/zinc/86/88/31/376868831.db2.gz FAYXLEMJQUUXDI-QWHCGFSZSA-N 2 1 276.384 2.201 20 0 CEADMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000328640368 376868835 /nfs/dbraw/zinc/86/88/35/376868835.db2.gz FAYXLEMJQUUXDI-QWHCGFSZSA-N 2 1 276.384 2.201 20 0 CEADMP COc1cccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422950151 376872887 /nfs/dbraw/zinc/87/28/87/376872887.db2.gz XDTATCRZJCWBJT-CZUORRHYSA-N 2 1 262.397 2.215 20 0 CEADMP CCC(CC)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)[NH+](C)C ZINC000422963064 376889830 /nfs/dbraw/zinc/88/98/30/376889830.db2.gz HIOFWZFPTSNCRU-BCLQGDPASA-N 3 1 269.477 2.460 20 0 CEADMP CC(C)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000422966476 376895969 /nfs/dbraw/zinc/89/59/69/376895969.db2.gz AGESCXHUCOYASJ-YIONKMFJSA-N 2 1 275.396 2.241 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000423080007 376975065 /nfs/dbraw/zinc/97/50/65/376975065.db2.gz ZDHIHOXYOUZZIX-KKBVYLPWSA-N 2 1 292.398 2.022 20 0 CEADMP FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000422987919 376910774 /nfs/dbraw/zinc/91/07/74/376910774.db2.gz HULISTBJKNWKQM-IGQOVBAYSA-N 2 1 288.382 2.311 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422997338 376914999 /nfs/dbraw/zinc/91/49/99/376914999.db2.gz NPKJEQUGGOOLOB-LSDHHAIUSA-N 3 1 255.450 2.214 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422997338 376915003 /nfs/dbraw/zinc/91/50/03/376915003.db2.gz NPKJEQUGGOOLOB-LSDHHAIUSA-N 3 1 255.450 2.214 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423003728 376922066 /nfs/dbraw/zinc/92/20/66/376922066.db2.gz NEMBRXKSAYEOML-ZFWWWQNUSA-N 2 1 278.444 2.295 20 0 CEADMP C[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccccc1 ZINC000423018410 376934221 /nfs/dbraw/zinc/93/42/21/376934221.db2.gz YVRHIIJUJOLLLD-MPBYHJMHSA-N 2 1 285.435 2.304 20 0 CEADMP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccccc1 ZINC000423018410 376934230 /nfs/dbraw/zinc/93/42/30/376934230.db2.gz YVRHIIJUJOLLLD-MPBYHJMHSA-N 2 1 285.435 2.304 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)CC2 ZINC000423067897 376958252 /nfs/dbraw/zinc/95/82/52/376958252.db2.gz ANVAOXDSMYNQEZ-NWANDNLSSA-N 2 1 276.428 2.051 20 0 CEADMP COc1cccc(Cl)c1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423071197 376964719 /nfs/dbraw/zinc/96/47/19/376964719.db2.gz OFBKMQHQWSCBKC-VHRBIJSZSA-N 2 1 298.814 2.191 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000423122232 377018513 /nfs/dbraw/zinc/01/85/13/377018513.db2.gz BYHUADDHOROEET-GUTXKFCHSA-N 2 1 277.387 2.135 20 0 CEADMP COc1cccc(C2(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000423122421 377020201 /nfs/dbraw/zinc/02/02/01/377020201.db2.gz KRSFIILQWBPXOH-BBRMVZONSA-N 2 1 274.408 2.457 20 0 CEADMP CCCc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])o1 ZINC000423122528 377020676 /nfs/dbraw/zinc/02/06/76/377020676.db2.gz CQHSAKIKJQDNEJ-NWDGAFQWSA-N 2 1 251.374 2.153 20 0 CEADMP COc1cc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)ccc1Cl ZINC000423136348 377034334 /nfs/dbraw/zinc/03/43/34/377034334.db2.gz PEFYRQQFEJQAPD-FZMZJTMJSA-N 2 1 282.815 2.479 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000562986587 377046329 /nfs/dbraw/zinc/04/63/29/377046329.db2.gz MVBYOCPSALGBRX-WBVHZDCISA-N 2 1 294.414 2.051 20 0 CEADMP CC[C@H]([NH2+]CC(C)(C)c1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000423148680 377048979 /nfs/dbraw/zinc/04/89/79/377048979.db2.gz WHUYBLWXJXZYDU-KBPBESRZSA-N 2 1 261.413 2.479 20 0 CEADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423085345 376980421 /nfs/dbraw/zinc/98/04/21/376980421.db2.gz KGONFZZQXZBXAU-IDTSFGKNSA-N 2 1 274.364 2.063 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423098102 376991498 /nfs/dbraw/zinc/99/14/98/376991498.db2.gz KFQQGUPBVIJKPM-NXEZZACHSA-N 2 1 291.317 2.238 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccncc1OCC(F)F ZINC000423107551 377000876 /nfs/dbraw/zinc/00/08/76/377000876.db2.gz SJURDXRHWITPPZ-AAEUAGOBSA-N 2 1 299.365 2.203 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CC(F)(F)F ZINC000423195071 377110208 /nfs/dbraw/zinc/11/02/08/377110208.db2.gz XLHKOEQNLQARPV-UMSGYPCISA-N 2 1 294.361 2.322 20 0 CEADMP C[C@H]([NH2+]CCC[NH3+])c1ncc(-c2ccccc2)n1C ZINC000423196849 377114155 /nfs/dbraw/zinc/11/41/55/377114155.db2.gz WPOPYEMPFFRIEB-LBPRGKRZSA-N 2 1 258.369 2.087 20 0 CEADMP C[C@@H](CCCC[NH3+])[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000423153403 377054266 /nfs/dbraw/zinc/05/42/66/377054266.db2.gz GLLMEKIBXWUGIY-UONOGXRCSA-N 2 1 283.460 2.118 20 0 CEADMP C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccncc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423158392 377061671 /nfs/dbraw/zinc/06/16/71/377061671.db2.gz WPVJYWRWLPEKPQ-QSPRXWTASA-N 2 1 289.423 2.422 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000423160423 377063876 /nfs/dbraw/zinc/06/38/76/377063876.db2.gz HFGGTTSXLQVFFA-BRWVUGGUSA-N 3 1 279.472 2.371 20 0 CEADMP CC[C@H]([NH2+]C[C@H](Cc1ccccc1)OC)[C@@H]1CCC[NH2+]1 ZINC000423159658 377065041 /nfs/dbraw/zinc/06/50/41/377065041.db2.gz PNFXMRWHDJTHRJ-ULQDDVLXSA-N 2 1 276.424 2.364 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C2 ZINC000423166771 377072411 /nfs/dbraw/zinc/07/24/11/377072411.db2.gz DECXAUHXJICPNL-JGGQBBKZSA-N 2 1 274.408 2.283 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000423171032 377080057 /nfs/dbraw/zinc/08/00/57/377080057.db2.gz NETJEMCLKUSRFK-UKRRQHHQSA-N 3 1 290.455 2.231 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423174562 377084176 /nfs/dbraw/zinc/08/41/76/377084176.db2.gz BBTFUVTZHYELOW-LBPRGKRZSA-N 3 1 276.428 2.161 20 0 CEADMP c1ccc(C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2cccnc2)nc1 ZINC000423213276 377128671 /nfs/dbraw/zinc/12/86/71/377128671.db2.gz NFXFGUICNPERPI-QAPCUYQASA-N 2 1 296.418 2.350 20 0 CEADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccncc1F ZINC000423219533 377137121 /nfs/dbraw/zinc/13/71/21/377137121.db2.gz UCXAMABONMZBLA-SRVKXCTJSA-N 2 1 251.349 2.259 20 0 CEADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423230220 377148778 /nfs/dbraw/zinc/14/87/78/377148778.db2.gz CZSHAVHFLJPQOK-MELADBBJSA-N 2 1 254.418 2.312 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000423231159 377150600 /nfs/dbraw/zinc/15/06/00/377150600.db2.gz FVRGCMZNFBDNJN-ZDUSSCGKSA-N 2 1 280.412 2.142 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@](C)(O)C[NH2+]C)CC[C@@H]1c1ccccc1 ZINC000563269687 377150714 /nfs/dbraw/zinc/15/07/14/377150714.db2.gz NVWBBXRSJWUGLE-BPQIPLTHSA-N 2 1 290.451 2.473 20 0 CEADMP CC[NH2+]CC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000423243700 377164725 /nfs/dbraw/zinc/16/47/25/377164725.db2.gz WYEFEANABYSSHN-DAXOMENPSA-N 2 1 262.397 2.386 20 0 CEADMP CC[NH2+]CC[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000423251792 377173543 /nfs/dbraw/zinc/17/35/43/377173543.db2.gz WWIAMWIYMWOSFM-MRXNPFEDSA-N 2 1 264.413 2.427 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc(OC)c1OC ZINC000423260421 377179090 /nfs/dbraw/zinc/17/90/90/377179090.db2.gz HKARTXBDIMECBA-AAEUAGOBSA-N 2 1 296.411 2.346 20 0 CEADMP CCOC[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000563354721 377182879 /nfs/dbraw/zinc/18/28/79/377182879.db2.gz JUEHGUYDWQQMIA-CQSZACIVSA-N 2 1 265.401 2.101 20 0 CEADMP CCOC[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000563354721 377182884 /nfs/dbraw/zinc/18/28/84/377182884.db2.gz JUEHGUYDWQQMIA-CQSZACIVSA-N 2 1 265.401 2.101 20 0 CEADMP Cc1ccc(CCC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000563356375 377184296 /nfs/dbraw/zinc/18/42/96/377184296.db2.gz RHJWLGHRRQUXND-UHFFFAOYSA-N 2 1 284.407 2.473 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(F)cn1 ZINC000423280742 377208066 /nfs/dbraw/zinc/20/80/66/377208066.db2.gz UMSJZQHZPHPDPQ-OUJBWJOFSA-N 2 1 267.348 2.007 20 0 CEADMP C[C@H]([NH2+][C@@H](CN)C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423283757 377212460 /nfs/dbraw/zinc/21/24/60/377212460.db2.gz WEPIZPMPWOQCLC-GUYCJALGSA-N 2 1 291.439 2.015 20 0 CEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423283757 377212472 /nfs/dbraw/zinc/21/24/72/377212472.db2.gz WEPIZPMPWOQCLC-GUYCJALGSA-N 3 1 291.439 2.015 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC[NH2+]C1CCCCCC1 ZINC000423283775 377212934 /nfs/dbraw/zinc/21/29/34/377212934.db2.gz WFRGXOOFNAYOOR-GDBMZVCRSA-N 2 1 267.461 2.229 20 0 CEADMP C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)CN1CCC1 ZINC000563416281 377216977 /nfs/dbraw/zinc/21/69/77/377216977.db2.gz IKFJWHWKFXYPQK-UHFFFAOYSA-N 2 1 279.472 2.469 20 0 CEADMP CCOCCC[N@H+]1CC[C@H](NCC([NH3+])(CC)CC)[C@@H](C)C1 ZINC000423287288 377217745 /nfs/dbraw/zinc/21/77/45/377217745.db2.gz LGMLQAQCYFNNDA-HOTGVXAUSA-N 2 1 299.503 2.231 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000423297439 377228466 /nfs/dbraw/zinc/22/84/66/377228466.db2.gz KGSFQIRFNZZAMI-ZFWWWQNUSA-N 2 1 287.411 2.435 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)OCCCO2 ZINC000423337291 377268728 /nfs/dbraw/zinc/26/87/28/377268728.db2.gz VEJYDLWXLTWEOF-LBPRGKRZSA-N 2 1 276.380 2.380 20 0 CEADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423313036 377243856 /nfs/dbraw/zinc/24/38/56/377243856.db2.gz TVTDWFRLMNHZHN-FUHWJXTLSA-N 2 1 289.467 2.486 20 0 CEADMP C[C@@H]([NH2+]CCCC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423323368 377255777 /nfs/dbraw/zinc/25/57/77/377255777.db2.gz JGQNTSAEHAKMMR-NVXWUHKLSA-N 3 1 275.440 2.226 20 0 CEADMP C[C@@H]([NH2+]CCCC[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423323368 377255787 /nfs/dbraw/zinc/25/57/87/377255787.db2.gz JGQNTSAEHAKMMR-NVXWUHKLSA-N 2 1 275.440 2.226 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000423277926 377201903 /nfs/dbraw/zinc/20/19/03/377201903.db2.gz QMWXAEZIRJSRTK-RISCZKNCSA-N 2 1 266.360 2.485 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000563866225 377307682 /nfs/dbraw/zinc/30/76/82/377307682.db2.gz QYPAASNPLAYUNX-BBWFWOEESA-N 3 1 279.472 2.181 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)CC1 ZINC000563866225 377307689 /nfs/dbraw/zinc/30/76/89/377307689.db2.gz QYPAASNPLAYUNX-BBWFWOEESA-N 2 1 279.472 2.181 20 0 CEADMP Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ncn1 ZINC000428374622 377491773 /nfs/dbraw/zinc/49/17/73/377491773.db2.gz BETYCGUZYBZYJP-RHSMWYFYSA-N 2 1 286.423 2.234 20 0 CEADMP CCc1cccc(OCC[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000430654208 377534237 /nfs/dbraw/zinc/53/42/37/377534237.db2.gz PVGLRCUQPWOODS-UHFFFAOYSA-N 2 1 262.397 2.312 20 0 CEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000332384233 377583417 /nfs/dbraw/zinc/58/34/17/377583417.db2.gz ZITYCEGXFOAYAK-YCPHGPKFSA-N 2 1 291.443 2.200 20 0 CEADMP Cn1ccnc1[C@@H]1CC[N@@H+](CCCCCn2cccn2)C1 ZINC000565156733 377576711 /nfs/dbraw/zinc/57/67/11/377576711.db2.gz KGWSRJFGASQTKH-OAHLLOKOSA-N 2 1 287.411 2.276 20 0 CEADMP CC[N@H+](CCc1ccccc1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431092692 377598963 /nfs/dbraw/zinc/59/89/63/377598963.db2.gz DKHREYMZUBIPQU-UHFFFAOYSA-N 2 1 288.395 2.328 20 0 CEADMP CC[N@@H+](CCc1ccccc1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431092692 377598970 /nfs/dbraw/zinc/59/89/70/377598970.db2.gz DKHREYMZUBIPQU-UHFFFAOYSA-N 2 1 288.395 2.328 20 0 CEADMP COC1CCC([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000432408161 377757237 /nfs/dbraw/zinc/75/72/37/377757237.db2.gz AMOXXDJTSROFLS-FHERZECASA-N 2 1 284.444 2.035 20 0 CEADMP COC1CCC([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000432408161 377757245 /nfs/dbraw/zinc/75/72/45/377757245.db2.gz AMOXXDJTSROFLS-FHERZECASA-N 2 1 284.444 2.035 20 0 CEADMP Cc1cc[nH+]c(N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000333469767 377767196 /nfs/dbraw/zinc/76/71/96/377767196.db2.gz APWLSKXJELMGHW-ZBFHGGJFSA-N 2 1 275.396 2.113 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000567502319 377830471 /nfs/dbraw/zinc/83/04/71/377830471.db2.gz GGXALOQTWZXCBM-LBPRGKRZSA-N 2 1 289.427 2.051 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000567502319 377830473 /nfs/dbraw/zinc/83/04/73/377830473.db2.gz GGXALOQTWZXCBM-LBPRGKRZSA-N 2 1 289.427 2.051 20 0 CEADMP CC(C)Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000567507334 377831460 /nfs/dbraw/zinc/83/14/60/377831460.db2.gz YCCQAQUVONUBEE-HNNXBMFYSA-N 2 1 278.444 2.359 20 0 CEADMP CC(C)Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000567507334 377831466 /nfs/dbraw/zinc/83/14/66/377831466.db2.gz YCCQAQUVONUBEE-HNNXBMFYSA-N 2 1 278.444 2.359 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000437097092 377838994 /nfs/dbraw/zinc/83/89/94/377838994.db2.gz MXJNDBCWSNOIQP-BFYDXBDKSA-N 2 1 287.451 2.225 20 0 CEADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CCSCC1 ZINC000442878153 378012581 /nfs/dbraw/zinc/01/25/81/378012581.db2.gz SMFAGRYOZHYAQW-CQSZACIVSA-N 2 1 299.528 2.134 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCC[C@H](CC[NH3+])C3)ccc21 ZINC000442919403 378018054 /nfs/dbraw/zinc/01/80/54/378018054.db2.gz IZOBPFAHZOIHMD-CYBMUJFWSA-N 2 1 272.396 2.134 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443067530 378033916 /nfs/dbraw/zinc/03/39/16/378033916.db2.gz GXIXHRRNLPPXPC-AWEZNQCLSA-N 2 1 286.423 2.177 20 0 CEADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443071967 378034622 /nfs/dbraw/zinc/03/46/22/378034622.db2.gz NDUYUTDMYXZDRD-PMPSAXMXSA-N 2 1 295.471 2.084 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]([NH3+])CC)cc1 ZINC000295211729 378053601 /nfs/dbraw/zinc/05/36/01/378053601.db2.gz LSHWNGCANALPQV-INIZCTEOSA-N 2 1 291.439 2.386 20 0 CEADMP Cn1c(N[C@@H]2CCC[C@H]([NH+](C)C)C2)[nH+]c2cccc(F)c21 ZINC000443511626 378059065 /nfs/dbraw/zinc/05/90/65/378059065.db2.gz QOGLJWHNUVJKDL-NEPJUHHUSA-N 2 1 290.386 2.419 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC000447570739 378119097 /nfs/dbraw/zinc/11/90/97/378119097.db2.gz HTMUQOHIIWTDPI-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000447570739 378119104 /nfs/dbraw/zinc/11/91/04/378119104.db2.gz HTMUQOHIIWTDPI-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000447570739 378119113 /nfs/dbraw/zinc/11/91/13/378119113.db2.gz HTMUQOHIIWTDPI-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000447570739 378119118 /nfs/dbraw/zinc/11/91/18/378119118.db2.gz HTMUQOHIIWTDPI-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000447570739 378119124 /nfs/dbraw/zinc/11/91/24/378119124.db2.gz HTMUQOHIIWTDPI-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(F)nc1C ZINC000278337997 193929035 /nfs/dbraw/zinc/92/90/35/193929035.db2.gz GNBCYNAIGQRRPS-NSHDSACASA-N 2 1 276.359 2.460 20 0 CEADMP CCc1cc(N2CC[N@@H+](CCOC)[C@H](CC)C2)cc[nH+]1 ZINC000450312695 378350816 /nfs/dbraw/zinc/35/08/16/378350816.db2.gz NFCGTVDCYIYGQB-OAHLLOKOSA-N 2 1 277.412 2.191 20 0 CEADMP COC(=O)C1(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000450722710 378548235 /nfs/dbraw/zinc/54/82/35/378548235.db2.gz AKKDRQQDIDGBPL-ZIAGYGMSSA-N 2 1 294.439 2.182 20 0 CEADMP CN(CC[N@@H+](C)C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000298427646 378723704 /nfs/dbraw/zinc/72/37/04/378723704.db2.gz MUYBRSHSZXCIKT-SFHVURJKSA-N 2 1 287.451 2.287 20 0 CEADMP CN(CC[NH+](C)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000298427646 378723708 /nfs/dbraw/zinc/72/37/08/378723708.db2.gz MUYBRSHSZXCIKT-SFHVURJKSA-N 2 1 287.451 2.287 20 0 CEADMP CN(CC[NH+](C)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000298427646 378723714 /nfs/dbraw/zinc/72/37/14/378723714.db2.gz MUYBRSHSZXCIKT-SFHVURJKSA-N 2 1 287.451 2.287 20 0 CEADMP OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453074424 378794247 /nfs/dbraw/zinc/79/42/47/378794247.db2.gz GJJACNTXFCQHFC-BRWVUGGUSA-N 2 1 274.408 2.012 20 0 CEADMP Cc1cccn2c(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cnc12 ZINC000346858707 218038968 /nfs/dbraw/zinc/03/89/68/218038968.db2.gz RQYFPKUPONGCQA-CWRNSKLLSA-N 2 1 284.407 2.202 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(CF)CCOCC1 ZINC000453313046 378861322 /nfs/dbraw/zinc/86/13/22/378861322.db2.gz RSXSZHLTRJSJHL-HZSPNIEDSA-N 2 1 272.408 2.071 20 0 CEADMP C1C[C@@H]2C[C@@H]([NH+]3CCC[C@]4(CCOC4)C3)CC[N@H+]2C1 ZINC000453343357 378867433 /nfs/dbraw/zinc/86/74/33/378867433.db2.gz DMFMWGYNIHZFHR-PMPSAXMXSA-N 2 1 264.413 2.116 20 0 CEADMP C1C[C@@H]2C[C@@H]([N@@H+]3CCC[C@]4(CCOC4)C3)CC[NH+]2C1 ZINC000453343357 378867437 /nfs/dbraw/zinc/86/74/37/378867437.db2.gz DMFMWGYNIHZFHR-PMPSAXMXSA-N 2 1 264.413 2.116 20 0 CEADMP C1C[C@@H]2C[C@@H]([N@H+]3CCC[C@]4(CCOC4)C3)CC[NH+]2C1 ZINC000453343357 378867440 /nfs/dbraw/zinc/86/74/40/378867440.db2.gz DMFMWGYNIHZFHR-PMPSAXMXSA-N 2 1 264.413 2.116 20 0 CEADMP C[C@@H]1CCN(CC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000346957814 218069256 /nfs/dbraw/zinc/06/92/56/218069256.db2.gz DBPYOSFSOANDLM-OAHLLOKOSA-N 2 1 275.440 2.320 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOC1CCC1 ZINC000347003511 218088388 /nfs/dbraw/zinc/08/83/88/218088388.db2.gz YRDRSAQFDIBVHU-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOC1CCC1 ZINC000347003511 218088391 /nfs/dbraw/zinc/08/83/91/218088391.db2.gz YRDRSAQFDIBVHU-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnc(-c3ccncc3)s2)CC[C@@H]1[NH3+] ZINC000346997993 218085557 /nfs/dbraw/zinc/08/55/57/218085557.db2.gz DYZWKGGWJHTRTL-FZMZJTMJSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccncc3)s2)CC[C@@H]1[NH3+] ZINC000346997993 218085558 /nfs/dbraw/zinc/08/55/58/218085558.db2.gz DYZWKGGWJHTRTL-FZMZJTMJSA-N 2 1 288.420 2.374 20 0 CEADMP CCOCc1cc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000347032591 218098956 /nfs/dbraw/zinc/09/89/56/218098956.db2.gz BOOCIYGTEZWAIY-HNNXBMFYSA-N 2 1 292.423 2.273 20 0 CEADMP CCOCc1cc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000347032591 218098957 /nfs/dbraw/zinc/09/89/57/218098957.db2.gz BOOCIYGTEZWAIY-HNNXBMFYSA-N 2 1 292.423 2.273 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccccc1N(C)C ZINC000347053542 218106191 /nfs/dbraw/zinc/10/61/91/218106191.db2.gz SMNLHRGZNHQXFO-DZGCQCFKSA-N 2 1 261.413 2.454 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccccc1N(C)C ZINC000347053542 218106193 /nfs/dbraw/zinc/10/61/93/218106193.db2.gz SMNLHRGZNHQXFO-DZGCQCFKSA-N 2 1 261.413 2.454 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000347064734 218108998 /nfs/dbraw/zinc/10/89/98/218108998.db2.gz DCMCHNAWPDAMNK-KGLIPLIRSA-N 2 1 262.397 2.469 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000347093348 218119071 /nfs/dbraw/zinc/11/90/71/218119071.db2.gz GUMJCLVBAVHDAN-NSHDSACASA-N 2 1 256.296 2.069 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000347114090 218126305 /nfs/dbraw/zinc/12/63/05/218126305.db2.gz SAUQPXZOIRDVQP-GFCCVEGCSA-N 2 1 288.420 2.246 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000347114090 218126306 /nfs/dbraw/zinc/12/63/06/218126306.db2.gz SAUQPXZOIRDVQP-GFCCVEGCSA-N 2 1 288.420 2.246 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000347067319 218111359 /nfs/dbraw/zinc/11/13/59/218111359.db2.gz MHXZHWSAAKKRJN-OLZOCXBDSA-N 2 1 276.380 2.017 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000347067319 218111362 /nfs/dbraw/zinc/11/13/62/218111362.db2.gz MHXZHWSAAKKRJN-OLZOCXBDSA-N 2 1 276.380 2.017 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000347164864 218142471 /nfs/dbraw/zinc/14/24/71/218142471.db2.gz JIUYVVVFWVMUNJ-SNVBAGLBSA-N 2 1 274.286 2.208 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000347164864 218142474 /nfs/dbraw/zinc/14/24/74/218142474.db2.gz JIUYVVVFWVMUNJ-SNVBAGLBSA-N 2 1 274.286 2.208 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000347241824 218166272 /nfs/dbraw/zinc/16/62/72/218166272.db2.gz XBBPWJICMNXKIY-ZDUSSCGKSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]([C@@H](C)CO)C1CCCC1 ZINC000347241824 218166275 /nfs/dbraw/zinc/16/62/75/218166275.db2.gz XBBPWJICMNXKIY-ZDUSSCGKSA-N 2 1 265.401 2.207 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC[N@@H+]1C ZINC000503853483 379071601 /nfs/dbraw/zinc/07/16/01/379071601.db2.gz DKHFVLNTMUAFPG-NNYUYHANSA-N 2 1 262.344 2.219 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC[N@H+]1C ZINC000503853483 379071604 /nfs/dbraw/zinc/07/16/04/379071604.db2.gz DKHFVLNTMUAFPG-NNYUYHANSA-N 2 1 262.344 2.219 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCn3cccn3)C1)CCCC2 ZINC000299742756 379124690 /nfs/dbraw/zinc/12/46/90/379124690.db2.gz KCZNFQXTQBVMIG-OAHLLOKOSA-N 2 1 299.422 2.214 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCn3cccn3)C1)CCCC2 ZINC000299742756 379124702 /nfs/dbraw/zinc/12/47/02/379124702.db2.gz KCZNFQXTQBVMIG-OAHLLOKOSA-N 2 1 299.422 2.214 20 0 CEADMP Cc1[nH]nc2ncc(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)cc12 ZINC000515430210 379216551 /nfs/dbraw/zinc/21/65/51/379216551.db2.gz QMFPHWMDHNWZGK-CYBMUJFWSA-N 2 1 287.411 2.088 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@@H]2C1 ZINC000278840062 194177368 /nfs/dbraw/zinc/17/73/68/194177368.db2.gz KURHPRZGPGLPOR-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]2C1 ZINC000278840062 194177371 /nfs/dbraw/zinc/17/73/71/194177371.db2.gz KURHPRZGPGLPOR-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@@H]2C1 ZINC000278840062 194177373 /nfs/dbraw/zinc/17/73/73/194177373.db2.gz KURHPRZGPGLPOR-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1CNc1cc[nH+]cc1C(N)=O ZINC000302230506 379340191 /nfs/dbraw/zinc/34/01/91/379340191.db2.gz RSKIRPCXHDLIAD-CYBMUJFWSA-N 2 1 290.411 2.247 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNc1cc[nH+]cc1C(N)=O ZINC000302230506 379340198 /nfs/dbraw/zinc/34/01/98/379340198.db2.gz RSKIRPCXHDLIAD-CYBMUJFWSA-N 2 1 290.411 2.247 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC(C2CCCCC2)C1 ZINC000518564090 379394669 /nfs/dbraw/zinc/39/46/69/379394669.db2.gz GRVZUCSJZJQFKQ-INIZCTEOSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC(C2CCCCC2)C1 ZINC000518564090 379394675 /nfs/dbraw/zinc/39/46/75/379394675.db2.gz GRVZUCSJZJQFKQ-INIZCTEOSA-N 2 1 268.445 2.200 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1nccs1 ZINC000278943166 194224045 /nfs/dbraw/zinc/22/40/45/194224045.db2.gz KJTYVDQPPBHVAO-QWRGUYRKSA-N 2 1 262.382 2.253 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000519538104 379430609 /nfs/dbraw/zinc/43/06/09/379430609.db2.gz NFVDVNNBJUNAGU-LLVKDONJSA-N 2 1 254.349 2.485 20 0 CEADMP C[C@@H](CNC(=O)C[N@H+]1CCC(C)(C)C1)[NH+]1CCCC[C@H]1C ZINC000521641849 379537670 /nfs/dbraw/zinc/53/76/70/379537670.db2.gz WRDRLKYKKLRYSC-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](CNC(=O)C[NH+]1CCC(C)(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000521641849 379537680 /nfs/dbraw/zinc/53/76/80/379537680.db2.gz WRDRLKYKKLRYSC-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](CNC(=O)C[NH+]1CCC(C)(C)C1)[N@H+]1CCCC[C@H]1C ZINC000521641849 379537685 /nfs/dbraw/zinc/53/76/85/379537685.db2.gz WRDRLKYKKLRYSC-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC1(C)CCC[C@@H](C[N@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000521834695 379544396 /nfs/dbraw/zinc/54/43/96/379544396.db2.gz LGJIZWZQMHQHEY-ZIAGYGMSSA-N 2 1 254.418 2.252 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000521029705 379512938 /nfs/dbraw/zinc/51/29/38/379512938.db2.gz NQQQSHUEQAIUHU-JFIYKMOQSA-N 2 1 290.451 2.473 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)CCC(C)C)[C@H](C)C1 ZINC000305132969 379652579 /nfs/dbraw/zinc/65/25/79/379652579.db2.gz KHPIHNXAIUAYER-PMPSAXMXSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCC(C)(C)CO ZINC000305177381 379673053 /nfs/dbraw/zinc/67/30/53/379673053.db2.gz VNTNUCNJGLZNEP-MCIONIFRSA-N 2 1 256.434 2.103 20 0 CEADMP CC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000527189590 379729222 /nfs/dbraw/zinc/72/92/22/379729222.db2.gz JVYWSLCFOAWVFY-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@]1(C)COc2ccccc2O1 ZINC000527937182 379851293 /nfs/dbraw/zinc/85/12/93/379851293.db2.gz VAMGFSVFACVKPC-KEYYUXOJSA-N 2 1 290.407 2.146 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(C)OCC)[C@@H](C)C1 ZINC000527974701 379861915 /nfs/dbraw/zinc/86/19/15/379861915.db2.gz OEJWZONITYBURT-NXOAAHMSSA-N 2 1 298.471 2.281 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(CO)ccc2F)[C@H](C)C1 ZINC000528414791 379964049 /nfs/dbraw/zinc/96/40/49/379964049.db2.gz HGOOAKUVJBEHPR-DYVFJYSZSA-N 2 1 294.414 2.480 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000528382184 379954800 /nfs/dbraw/zinc/95/48/00/379954800.db2.gz PBMRMZKTJDJCCF-DOTOQJQBSA-N 2 1 294.414 2.267 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000528763091 380084501 /nfs/dbraw/zinc/08/45/01/380084501.db2.gz MGRDPHLVAWPAGC-OSFYFWSMSA-N 2 1 265.401 2.373 20 0 CEADMP Cc1nc(C[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)no1 ZINC000333950528 380189069 /nfs/dbraw/zinc/18/90/69/380189069.db2.gz YGTKLDCHCMTIRE-QEJZJMRPSA-N 2 1 292.427 2.021 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)/C=C/C[NH+](C)C)C1 ZINC000491884761 380371503 /nfs/dbraw/zinc/37/15/03/380371503.db2.gz NNCMPKAGMZBTQQ-TUPIDYKKSA-N 2 1 295.471 2.121 20 0 CEADMP C(C1CC1)[NH+]1CCC([N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000334530028 380539937 /nfs/dbraw/zinc/53/99/37/380539937.db2.gz GBZBGYHHJSJUEV-KRWDZBQOSA-N 2 1 278.440 2.363 20 0 CEADMP C[C@H](C[N@H+](C)C[C@H]1CCC[NH+](C)C1)NC(=O)OC(C)(C)C ZINC000492438752 380555335 /nfs/dbraw/zinc/55/53/35/380555335.db2.gz UIIYALDZQNPEDF-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)NC(=O)OC(C)(C)C ZINC000492438752 380555341 /nfs/dbraw/zinc/55/53/41/380555341.db2.gz UIIYALDZQNPEDF-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000492438752 380555345 /nfs/dbraw/zinc/55/53/45/380555345.db2.gz UIIYALDZQNPEDF-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000492438752 380555352 /nfs/dbraw/zinc/55/53/52/380555352.db2.gz UIIYALDZQNPEDF-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000552100493 380684089 /nfs/dbraw/zinc/68/40/89/380684089.db2.gz KOGMMXUINQKWOO-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000552100493 380684094 /nfs/dbraw/zinc/68/40/94/380684094.db2.gz KOGMMXUINQKWOO-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CN1CC(C)(C)C1 ZINC000552996670 380720324 /nfs/dbraw/zinc/72/03/24/380720324.db2.gz BCIABNLIEAAPIG-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000552996670 380720329 /nfs/dbraw/zinc/72/03/29/380720329.db2.gz BCIABNLIEAAPIG-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000552996670 380720333 /nfs/dbraw/zinc/72/03/33/380720333.db2.gz BCIABNLIEAAPIG-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)c1 ZINC000553210744 380729402 /nfs/dbraw/zinc/72/94/02/380729402.db2.gz OENQPWMYEWDCMQ-CQSZACIVSA-N 2 1 289.423 2.335 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H](C)C2)ccn1 ZINC000554403453 380768308 /nfs/dbraw/zinc/76/83/08/380768308.db2.gz SLNNZHVHFVUXHI-MBNYWOFBSA-N 2 1 263.385 2.224 20 0 CEADMP Cn1cncc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556177824 380880718 /nfs/dbraw/zinc/88/07/18/380880718.db2.gz NSCWGPDAEXWXAZ-SJLPKXTDSA-N 2 1 298.434 2.388 20 0 CEADMP Cn1cncc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556177824 380880730 /nfs/dbraw/zinc/88/07/30/380880730.db2.gz NSCWGPDAEXWXAZ-SJLPKXTDSA-N 2 1 298.434 2.388 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000555880359 380854370 /nfs/dbraw/zinc/85/43/70/380854370.db2.gz LEAYZULKNAOGSY-CABCVRRESA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000555880359 380854375 /nfs/dbraw/zinc/85/43/75/380854375.db2.gz LEAYZULKNAOGSY-CABCVRRESA-N 2 1 264.413 2.267 20 0 CEADMP Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1 ZINC000334785641 207074161 /nfs/dbraw/zinc/07/41/61/207074161.db2.gz QIBSYQCULWSMRQ-XYPWUTKMSA-N 2 1 259.397 2.413 20 0 CEADMP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1 ZINC000334785641 207074165 /nfs/dbraw/zinc/07/41/65/207074165.db2.gz QIBSYQCULWSMRQ-XYPWUTKMSA-N 2 1 259.397 2.413 20 0 CEADMP Cc1ccn2c(C[NH2+][C@H]3CC[NH2+]CC3(C)C)cnc2c1 ZINC000334842607 207170757 /nfs/dbraw/zinc/17/07/57/207170757.db2.gz MSJRKBGHIHRQAC-AWEZNQCLSA-N 2 1 272.396 2.120 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000334871666 207220102 /nfs/dbraw/zinc/22/01/02/207220102.db2.gz ZAIBNTNBEYYPAY-HZPDHXFCSA-N 2 1 259.397 2.354 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000335041311 207524922 /nfs/dbraw/zinc/52/49/22/207524922.db2.gz HAJCDDQFYICDHI-ZWNOBZJWSA-N 2 1 253.777 2.213 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000340425906 285012968 /nfs/dbraw/zinc/01/29/68/285012968.db2.gz WGHBVZBEGIJLRJ-ZBCRRDGASA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CC[C@H]1[NH3+] ZINC000335265076 208056923 /nfs/dbraw/zinc/05/69/23/208056923.db2.gz FLVXJQYVPUNGGZ-BXUZGUMPSA-N 2 1 276.409 2.103 20 0 CEADMP Cc1ncc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000335280535 208092468 /nfs/dbraw/zinc/09/24/68/208092468.db2.gz UVUZJVBIFJRBMU-NSHDSACASA-N 2 1 265.426 2.416 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)C[C@@]1(C)C[NH3+] ZINC000335349393 208249621 /nfs/dbraw/zinc/24/96/21/208249621.db2.gz RSNUYTCYWOHKCI-MLGOLLRUSA-N 2 1 259.397 2.071 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](CC)C1(C(=O)OC)CCC1 ZINC000353841381 220359430 /nfs/dbraw/zinc/35/94/30/220359430.db2.gz JNXSCXGANJWAEJ-KGLIPLIRSA-N 2 1 284.444 2.428 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](CC)C1(C(=O)OC)CCC1 ZINC000353841381 220359434 /nfs/dbraw/zinc/35/94/34/220359434.db2.gz JNXSCXGANJWAEJ-KGLIPLIRSA-N 2 1 284.444 2.428 20 0 CEADMP C[C@@H](O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000281363154 195211496 /nfs/dbraw/zinc/21/14/96/195211496.db2.gz OADJUAVWKGWNCI-DLTWYDFYSA-N 2 1 276.424 2.113 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCC(C)C ZINC000337571669 285276353 /nfs/dbraw/zinc/27/63/53/285276353.db2.gz DIXNCXYNLYHTRL-INIZCTEOSA-N 2 1 297.487 2.297 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000281647189 195321855 /nfs/dbraw/zinc/32/18/55/195321855.db2.gz JMOFYPICHQIMSO-FUHWJXTLSA-N 2 1 288.435 2.284 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000281647189 195321857 /nfs/dbraw/zinc/32/18/57/195321857.db2.gz JMOFYPICHQIMSO-FUHWJXTLSA-N 2 1 288.435 2.284 20 0 CEADMP C[C@@H](N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000400491301 533547494 /nfs/dbraw/zinc/54/74/94/533547494.db2.gz ZIZXWVWTAALEEJ-LMSBXDPUSA-N 2 1 287.451 2.237 20 0 CEADMP CO[C@@H](C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000191203763 130202272 /nfs/dbraw/zinc/20/22/72/130202272.db2.gz AGZCGSAKHYSFKJ-HNNXBMFYSA-N 2 1 276.424 2.318 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342091727 130305957 /nfs/dbraw/zinc/30/59/57/130305957.db2.gz CMGVMYKBHGRMGD-UAGQMJEPSA-N 2 1 287.407 2.204 20 0 CEADMP C[C@@H](CNc1[nH+]cnc2[nH]ccc21)C[NH+]1CCCCC1 ZINC000263822324 131339610 /nfs/dbraw/zinc/33/96/10/131339610.db2.gz YLLNTIKASINENI-LBPRGKRZSA-N 2 1 273.384 2.492 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000299994843 394453447 /nfs/dbraw/zinc/45/34/47/394453447.db2.gz MVTJNYKDUGROHB-MGPQQGTHSA-N 2 1 252.402 2.290 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000226329066 394470776 /nfs/dbraw/zinc/47/07/76/394470776.db2.gz NHDVUHLWERKQJV-CVEARBPZSA-N 2 1 261.413 2.451 20 0 CEADMP CCC[N@@H+](C)CC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000355593705 394471275 /nfs/dbraw/zinc/47/12/75/394471275.db2.gz NHSBOYFXWGDYJP-UHFFFAOYSA-N 2 1 297.487 2.299 20 0 CEADMP CC(C)C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1 ZINC000304705768 394487919 /nfs/dbraw/zinc/48/79/19/394487919.db2.gz KPFOYCILEYVGAC-JKSUJKDBSA-N 2 1 264.413 2.286 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000044535289 394506593 /nfs/dbraw/zinc/50/65/93/394506593.db2.gz YCGGZAVZAUAENG-HNNXBMFYSA-N 2 1 284.407 2.304 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000044535289 394506596 /nfs/dbraw/zinc/50/65/96/394506596.db2.gz YCGGZAVZAUAENG-HNNXBMFYSA-N 2 1 284.407 2.304 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCO2 ZINC000044534515 394507169 /nfs/dbraw/zinc/50/71/69/394507169.db2.gz CGOKNTHULIMJIV-STQMWFEESA-N 2 1 276.380 2.408 20 0 CEADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000305721653 394509578 /nfs/dbraw/zinc/50/95/78/394509578.db2.gz PORDAKVSCWYBDO-NXHRZFHOSA-N 2 1 288.435 2.451 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000305721653 394509581 /nfs/dbraw/zinc/50/95/81/394509581.db2.gz PORDAKVSCWYBDO-NXHRZFHOSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000305721653 394509584 /nfs/dbraw/zinc/50/95/84/394509584.db2.gz PORDAKVSCWYBDO-NXHRZFHOSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000305721653 394509588 /nfs/dbraw/zinc/50/95/88/394509588.db2.gz PORDAKVSCWYBDO-NXHRZFHOSA-N 2 1 288.435 2.451 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305743806 394510900 /nfs/dbraw/zinc/51/09/00/394510900.db2.gz UCWYZZVXEGARGH-STQMWFEESA-N 2 1 294.361 2.106 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305743806 394510904 /nfs/dbraw/zinc/51/09/04/394510904.db2.gz UCWYZZVXEGARGH-STQMWFEESA-N 2 1 294.361 2.106 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000309877356 394532892 /nfs/dbraw/zinc/53/28/92/394532892.db2.gz IMFNNPCWYLYGOT-IYXRBSQSSA-N 2 1 299.459 2.360 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000309877356 394532894 /nfs/dbraw/zinc/53/28/94/394532894.db2.gz IMFNNPCWYLYGOT-IYXRBSQSSA-N 2 1 299.459 2.360 20 0 CEADMP COC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309981880 394534549 /nfs/dbraw/zinc/53/45/49/394534549.db2.gz VIYXKQLSSJNOOD-CGTJXYLNSA-N 2 1 288.435 2.475 20 0 CEADMP COC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309981880 394534550 /nfs/dbraw/zinc/53/45/50/394534550.db2.gz VIYXKQLSSJNOOD-CGTJXYLNSA-N 2 1 288.435 2.475 20 0 CEADMP COC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309981880 394534551 /nfs/dbraw/zinc/53/45/51/394534551.db2.gz VIYXKQLSSJNOOD-CGTJXYLNSA-N 2 1 288.435 2.475 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)[C@H](C)[NH3+])c1 ZINC000248979748 394550154 /nfs/dbraw/zinc/55/01/54/394550154.db2.gz FKBXUNVJUJYNKY-KGLIPLIRSA-N 2 1 291.439 2.126 20 0 CEADMP C([C@H]1CCCOC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000334155715 394659202 /nfs/dbraw/zinc/65/92/02/394659202.db2.gz WCLUEEFIRVQDLY-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2(OC)CCCC2)C1 ZINC000421821454 394605993 /nfs/dbraw/zinc/60/59/93/394605993.db2.gz RMLRVFOGZVFALC-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000356784897 394613314 /nfs/dbraw/zinc/61/33/14/394613314.db2.gz VHXISGGYCJHFAN-LSDHHAIUSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000356784897 394613318 /nfs/dbraw/zinc/61/33/18/394613318.db2.gz VHXISGGYCJHFAN-LSDHHAIUSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000356784897 394613322 /nfs/dbraw/zinc/61/33/22/394613322.db2.gz VHXISGGYCJHFAN-LSDHHAIUSA-N 2 1 283.460 2.096 20 0 CEADMP COC1([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CCCC1 ZINC000421850163 394615552 /nfs/dbraw/zinc/61/55/52/394615552.db2.gz CZQVZUZLLAMBSQ-HOTGVXAUSA-N 2 1 298.471 2.425 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCO1 ZINC000421852802 394616165 /nfs/dbraw/zinc/61/61/65/394616165.db2.gz HWGAJKACFUMICF-NJVJYBDUSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1CCCOC1 ZINC000356910924 394650536 /nfs/dbraw/zinc/65/05/36/394650536.db2.gz ZJMHPKQVQSLFMH-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1CCCOC1 ZINC000356910924 394650542 /nfs/dbraw/zinc/65/05/42/394650542.db2.gz ZJMHPKQVQSLFMH-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1sc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])nc1C(C)C ZINC000422714863 394736365 /nfs/dbraw/zinc/73/63/65/394736365.db2.gz RLTCPZUZILQSGS-WCFLWFBJSA-N 2 1 297.468 2.417 20 0 CEADMP CC(C)C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414707933 394749037 /nfs/dbraw/zinc/74/90/37/394749037.db2.gz PIFXOJZCVQVZHZ-HZPDHXFCSA-N 2 1 295.471 2.084 20 0 CEADMP CC(C)[C@@H](C[NH2+]C[C@@H]1CCCOC1)[NH+]1CCCC1 ZINC000111318090 394739457 /nfs/dbraw/zinc/73/94/57/394739457.db2.gz HGHLASLNGIWZBV-LSDHHAIUSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@@H+](C)CCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422722669 394740505 /nfs/dbraw/zinc/74/05/05/394740505.db2.gz YLNAAYOXLZOHPD-IRXDYDNUSA-N 2 1 291.439 2.030 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](CCO)[C@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414705208 394749210 /nfs/dbraw/zinc/74/92/10/394749210.db2.gz WRWUOANRGPZDMP-RKVPGOIHSA-N 2 1 288.435 2.356 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOC1CCCC1 ZINC000111634332 394740849 /nfs/dbraw/zinc/74/08/49/394740849.db2.gz WPJWQSQXAYKUKE-NFAWXSAZSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422723254 394741543 /nfs/dbraw/zinc/74/15/43/394741543.db2.gz QQDNPDBGDJDYJM-ZBFHGGJFSA-N 3 1 278.444 2.482 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000414064395 394691208 /nfs/dbraw/zinc/69/12/08/394691208.db2.gz FRMFNNVCEVSBPL-BPUTZDHNSA-N 2 1 289.423 2.238 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cn1 ZINC000414064395 394691212 /nfs/dbraw/zinc/69/12/12/394691212.db2.gz FRMFNNVCEVSBPL-BPUTZDHNSA-N 2 1 289.423 2.238 20 0 CEADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CCOCC[NH3+] ZINC000357066792 394694402 /nfs/dbraw/zinc/69/44/02/394694402.db2.gz CGBDZVRMXBCYNB-GFCCVEGCSA-N 2 1 254.399 2.033 20 0 CEADMP CC(C)C[N@@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000357071312 394694482 /nfs/dbraw/zinc/69/44/82/394694482.db2.gz GKWYJULAAJJGCH-UHFFFAOYSA-N 2 1 250.386 2.120 20 0 CEADMP C[C@H]1SCC[N@@H+](CCOCC[NH3+])[C@@H]1c1ccccc1 ZINC000357078095 394695565 /nfs/dbraw/zinc/69/55/65/394695565.db2.gz AZIHZAIHSHGLHL-HIFRSBDPSA-N 2 1 280.437 2.140 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422734002 394746439 /nfs/dbraw/zinc/74/64/39/394746439.db2.gz BWVOEUTUIQDMAS-UXLLHSPISA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000422734002 394746443 /nfs/dbraw/zinc/74/64/43/394746443.db2.gz BWVOEUTUIQDMAS-UXLLHSPISA-N 2 1 275.440 2.366 20 0 CEADMP COc1cccc([C@H](CN[C@@H](C)C[C@@H](C)[NH3+])[NH+](C)C)c1 ZINC000422733330 394746679 /nfs/dbraw/zinc/74/66/79/394746679.db2.gz QTSBBFCZBHGEGX-WWGRRREGSA-N 2 1 279.428 2.013 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000422735097 394747064 /nfs/dbraw/zinc/74/70/64/394747064.db2.gz VISUZFGZZFJRQQ-BXUZGUMPSA-N 2 1 252.789 2.470 20 0 CEADMP CCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)n1 ZINC000422561818 394711522 /nfs/dbraw/zinc/71/15/22/394711522.db2.gz NMIGARLGBTUPRK-MCIONIFRSA-N 2 1 277.412 2.286 20 0 CEADMP CCOc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)n1 ZINC000422561818 394711526 /nfs/dbraw/zinc/71/15/26/394711526.db2.gz NMIGARLGBTUPRK-MCIONIFRSA-N 2 1 277.412 2.286 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000358182511 394711741 /nfs/dbraw/zinc/71/17/41/394711741.db2.gz CGEDRGNZCNCTII-VBNZEHGJSA-N 2 1 280.387 2.443 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](Cc2nc3ccccc3n2C)C[C@@H]1C[NH3+] ZINC000422561533 394711724 /nfs/dbraw/zinc/71/17/24/394711724.db2.gz LSZQFFDIKZSAPM-RDBSUJKOSA-N 2 1 286.423 2.379 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc3ccccc3n2C)C[C@@H]1C[NH3+] ZINC000422561533 394711726 /nfs/dbraw/zinc/71/17/26/394711726.db2.gz LSZQFFDIKZSAPM-RDBSUJKOSA-N 2 1 286.423 2.379 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000414135892 394713168 /nfs/dbraw/zinc/71/31/68/394713168.db2.gz FAWSFFIYUIECLW-KHMAMNHCSA-N 2 1 252.402 2.016 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](OCC)C2)[C@H](C)C1 ZINC000414150021 394717260 /nfs/dbraw/zinc/71/72/60/394717260.db2.gz ULVMFXWIYMFQER-WCXIOVBPSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422699322 394725234 /nfs/dbraw/zinc/72/52/34/394725234.db2.gz AKFBHTSOSYDACY-CYBMUJFWSA-N 2 1 289.423 2.369 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)[C@@H]2CCC[C@@H]21 ZINC000414189049 394725658 /nfs/dbraw/zinc/72/56/58/394725658.db2.gz QWYDWRUWKBJNIC-ULQDDVLXSA-N 3 1 284.407 2.297 20 0 CEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc2n(n1)CCC2 ZINC000414191875 394726496 /nfs/dbraw/zinc/72/64/96/394726496.db2.gz SBEGMCFNFQXIEI-UONOGXRCSA-N 2 1 276.428 2.212 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1c[nH+]ccc1N ZINC000422701006 394726564 /nfs/dbraw/zinc/72/65/64/394726564.db2.gz HUIILCJZWBDWFY-IAQYHMDHSA-N 2 1 263.385 2.086 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](CCC2CCCCC2)CC(N)=O)CC[NH2+]1 ZINC000414695063 394748259 /nfs/dbraw/zinc/74/82/59/394748259.db2.gz ORZGBFYSVATCFF-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP CC[C@H](NCC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422703674 394727792 /nfs/dbraw/zinc/72/77/92/394727792.db2.gz NSYVQNLREXMBNF-HOTGVXAUSA-N 2 1 267.461 2.371 20 0 CEADMP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1F ZINC000422704231 394728366 /nfs/dbraw/zinc/72/83/66/394728366.db2.gz KDAVBNJJXVAZMA-RISCZKNCSA-N 2 1 266.360 2.107 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422704510 394729024 /nfs/dbraw/zinc/72/90/24/394729024.db2.gz PVJLKATVCBCVNK-IUODEOHRSA-N 2 1 272.396 2.083 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422742763 394753016 /nfs/dbraw/zinc/75/30/16/394753016.db2.gz QIOMYJDGZZWYAR-KBPBESRZSA-N 2 1 276.428 2.265 20 0 CEADMP CC[C@H](NC[C@@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000422744453 394754410 /nfs/dbraw/zinc/75/44/10/394754410.db2.gz SYVNMZMXKILFKN-JYJNAYRXSA-N 2 1 267.461 2.227 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c(Cl)c1OC ZINC000414825256 394754654 /nfs/dbraw/zinc/75/46/54/394754654.db2.gz GSKREEXFEJSPJF-NSHDSACASA-N 2 1 298.814 2.446 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422745152 394755650 /nfs/dbraw/zinc/75/56/50/394755650.db2.gz UPWLZBLRQVPGNE-IAGOWNOFSA-N 3 1 275.440 2.355 20 0 CEADMP c1cc(N2CCCC2)ncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414827934 394756595 /nfs/dbraw/zinc/75/65/95/394756595.db2.gz LDBFAYIKRHCBRR-XYPWUTKMSA-N 2 1 286.423 2.054 20 0 CEADMP CN(C)[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])c1c(F)cccc1F ZINC000422749054 394757562 /nfs/dbraw/zinc/75/75/62/394757562.db2.gz XIPAHQJXRJVDTC-HZSPNIEDSA-N 2 1 283.366 2.037 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H](C)CCCC[NH3+])CC2)[nH+]1 ZINC000422750562 394758858 /nfs/dbraw/zinc/75/88/58/394758858.db2.gz AAQIASQRSIBCSP-CQSZACIVSA-N 3 1 290.455 2.466 20 0 CEADMP CC(C)Cc1ncc(C[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000414835454 394761571 /nfs/dbraw/zinc/76/15/71/394761571.db2.gz UBNXWXNOGWVUEA-GFCCVEGCSA-N 2 1 267.442 2.431 20 0 CEADMP c1nc2c([nH]1)CC[C@H]([NH2+][C@@H]1CCCC13CCOCC3)C2 ZINC000335373873 394763311 /nfs/dbraw/zinc/76/33/11/394763311.db2.gz RPHKNCHIIXGNHM-SWLSCSKDSA-N 2 1 275.396 2.206 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000414840305 394764924 /nfs/dbraw/zinc/76/49/24/394764924.db2.gz MYUAFCXNLVCZBT-LLVKDONJSA-N 2 1 276.409 2.150 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(C(=O)OC)ccc1Cl ZINC000414844903 394766783 /nfs/dbraw/zinc/76/67/83/394766783.db2.gz RTTDQKNJZHJVFQ-JTQLQIEISA-N 2 1 284.787 2.072 20 0 CEADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000414849935 394769613 /nfs/dbraw/zinc/76/96/13/394769613.db2.gz RRUJFNKFUKALIC-CABCVRRESA-N 2 1 289.423 2.362 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422770891 394773213 /nfs/dbraw/zinc/77/32/13/394773213.db2.gz QMTKPUDMVRETFW-JZWPEALZSA-N 2 1 265.445 2.124 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422770891 394773215 /nfs/dbraw/zinc/77/32/15/394773215.db2.gz QMTKPUDMVRETFW-JZWPEALZSA-N 3 1 265.445 2.124 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422770891 394773217 /nfs/dbraw/zinc/77/32/17/394773217.db2.gz QMTKPUDMVRETFW-JZWPEALZSA-N 3 1 265.445 2.124 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](C3CCCC3)C2)CC1 ZINC000120106083 394774984 /nfs/dbraw/zinc/77/49/84/394774984.db2.gz XOSGWRFFLCLSMP-INIZCTEOSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@H+](C3CCCC3)C2)CC1 ZINC000120106083 394774986 /nfs/dbraw/zinc/77/49/86/394774986.db2.gz XOSGWRFFLCLSMP-INIZCTEOSA-N 2 1 265.445 2.031 20 0 CEADMP [NH3+]CC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000335567400 394775426 /nfs/dbraw/zinc/77/54/26/394775426.db2.gz WLGQIUUGYXPCBI-LBPRGKRZSA-N 2 1 269.186 2.375 20 0 CEADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000422776572 394776613 /nfs/dbraw/zinc/77/66/13/394776613.db2.gz CZZLRAZCCMNRBW-CHIMOYNISA-N 2 1 286.778 2.321 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]CC2(N)CCCCCC2)CC[NH2+]1 ZINC000414863936 394776779 /nfs/dbraw/zinc/77/67/79/394776779.db2.gz YFAOTICSWTXKFX-KGLIPLIRSA-N 2 1 253.434 2.016 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1O ZINC000414866128 394777724 /nfs/dbraw/zinc/77/77/24/394777724.db2.gz MEXMCCRFRDLFCB-OCCSQVGLSA-N 2 1 278.396 2.064 20 0 CEADMP Fc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000422778264 394777806 /nfs/dbraw/zinc/77/78/06/394777806.db2.gz HCPSOKOSLVCSNE-FVQBIDKESA-N 2 1 296.361 2.212 20 0 CEADMP CCC[NH2+]CC[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000414868853 394780130 /nfs/dbraw/zinc/78/01/30/394780130.db2.gz KRTIBSAOHUGDFC-ZDUSSCGKSA-N 2 1 280.412 2.311 20 0 CEADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414875051 394782945 /nfs/dbraw/zinc/78/29/45/394782945.db2.gz ZQGJXXCATSJZKS-GXTWGEPZSA-N 2 1 276.380 2.078 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCCOCC1 ZINC000359989406 394783390 /nfs/dbraw/zinc/78/33/90/394783390.db2.gz XVLXPSKQVOKKPN-CABCVRRESA-N 2 1 254.418 2.410 20 0 CEADMP Cc1ncccc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414877667 394784263 /nfs/dbraw/zinc/78/42/63/394784263.db2.gz MKIYTICNCCDITP-UHFFFAOYSA-N 2 1 270.380 2.055 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000414881665 394785654 /nfs/dbraw/zinc/78/56/54/394785654.db2.gz SLVOJJCYZDDAQB-ZETCQYMHSA-N 2 1 293.155 2.412 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422788489 394786979 /nfs/dbraw/zinc/78/69/79/394786979.db2.gz AVCIHEPOXJYFOY-ULQDDVLXSA-N 2 1 279.472 2.358 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422792093 394788814 /nfs/dbraw/zinc/78/88/14/394788814.db2.gz WYLAYJDSCXVSNI-CVEARBPZSA-N 3 1 267.461 2.086 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H]([NH3+])C2CC2)C1 ZINC000414887237 394789067 /nfs/dbraw/zinc/78/90/67/394789067.db2.gz IAYMGRMAIGEZQG-KBRIMQKVSA-N 2 1 273.424 2.149 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1cccc(Br)c1)C1CC1 ZINC000414886781 394789141 /nfs/dbraw/zinc/78/91/41/394789141.db2.gz CYGIXOIWPMLJNQ-GFCCVEGCSA-N 2 1 269.186 2.276 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H]2CCCCC[C@@H]2N)CC1 ZINC000422793628 394791405 /nfs/dbraw/zinc/79/14/05/394791405.db2.gz XFBYNDOIYNGYOV-HOTGVXAUSA-N 2 1 267.461 2.358 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1c[nH]nc1-c1ccccc1F)C1CC1 ZINC000414895311 394793498 /nfs/dbraw/zinc/79/34/98/394793498.db2.gz MYGOAAOZUIROPC-CQSZACIVSA-N 2 1 274.343 2.043 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422798581 394795016 /nfs/dbraw/zinc/79/50/16/394795016.db2.gz RVXRNWGNFRIPJT-XIRDDKMYSA-N 2 1 279.472 2.371 20 0 CEADMP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422805526 394799515 /nfs/dbraw/zinc/79/95/15/394799515.db2.gz JHKDIKQZYFPHDA-SJORKVTESA-N 3 1 275.440 2.498 20 0 CEADMP [NH3+]CCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414915803 394801422 /nfs/dbraw/zinc/80/14/22/394801422.db2.gz ZXYNOABJSDBKHB-UHFFFAOYSA-N 3 1 293.430 2.161 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]1 ZINC000422810344 394802979 /nfs/dbraw/zinc/80/29/79/394802979.db2.gz RPQAIRVENIFAOY-KFWWJZLASA-N 2 1 260.381 2.110 20 0 CEADMP C[C@H](NCC[N@@H+](C)Cc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422816975 394808365 /nfs/dbraw/zinc/80/83/65/394808365.db2.gz GNIIQGZPGCQRQL-WMLDXEAASA-N 2 1 293.430 2.378 20 0 CEADMP CC[C@H]([NH2+]CCc1csc(C)n1)[C@@H]1CCC[NH2+]1 ZINC000422819938 394810584 /nfs/dbraw/zinc/81/05/84/394810584.db2.gz OLPYJFAHSJBWEJ-STQMWFEESA-N 2 1 253.415 2.114 20 0 CEADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000414934689 394811091 /nfs/dbraw/zinc/81/10/91/394811091.db2.gz AFCLWOSHJBVQPG-STQMWFEESA-N 2 1 277.412 2.464 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000422825225 394814142 /nfs/dbraw/zinc/81/41/42/394814142.db2.gz PKRDHXMCAPVVET-OAGGEKHMSA-N 2 1 299.528 2.324 20 0 CEADMP C[C@@H]([NH2+]CCCNc1ccccn1)c1c[nH+]ccc1N ZINC000422827378 394816171 /nfs/dbraw/zinc/81/61/71/394816171.db2.gz DKHBNJOROCGEJY-GFCCVEGCSA-N 2 1 271.368 2.042 20 0 CEADMP COC[C@@]1(C[NH2+][C@@H](C)Cc2ccccc2C)CCC[NH2+]1 ZINC000414951012 394820071 /nfs/dbraw/zinc/82/00/71/394820071.db2.gz GCDTYSUFLHUMSD-RDJZCZTQSA-N 2 1 276.424 2.284 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C[C@@H]1OC ZINC000422944120 394867469 /nfs/dbraw/zinc/86/74/69/394867469.db2.gz RQKDNLBWBZHEMZ-SYQHCUMBSA-N 2 1 254.418 2.168 20 0 CEADMP Cn1c2ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc2sc1=O ZINC000415056076 394867688 /nfs/dbraw/zinc/86/76/88/394867688.db2.gz PMECKUKDXITNIV-ZDUSSCGKSA-N 2 1 293.436 2.063 20 0 CEADMP COCCOc1ccccc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058708 394868271 /nfs/dbraw/zinc/86/82/71/394868271.db2.gz WLJWOVQPDIQRSF-RHSMWYFYSA-N 2 1 292.423 2.129 20 0 CEADMP CCC[C@H](CC)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415061940 394869569 /nfs/dbraw/zinc/86/95/69/394869569.db2.gz ZGTOAJGHUNMTAT-FHERZECASA-N 2 1 267.461 2.371 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415062183 394869788 /nfs/dbraw/zinc/86/97/88/394869788.db2.gz DSKVGHWAHJNPPG-INIZCTEOSA-N 2 1 275.396 2.252 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415061523 394869949 /nfs/dbraw/zinc/86/99/49/394869949.db2.gz YIUBYGWMUXDAMT-INIZCTEOSA-N 3 1 261.413 2.150 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000422968420 394870236 /nfs/dbraw/zinc/87/02/36/394870236.db2.gz WUIPYDUBAUKARW-MELADBBJSA-N 2 1 265.401 2.132 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)OC ZINC000362975972 394871986 /nfs/dbraw/zinc/87/19/86/394871986.db2.gz IDPWXXVSCOJKEO-ZQNQSHIBSA-N 2 1 256.434 2.366 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)CCO1 ZINC000415068239 394873462 /nfs/dbraw/zinc/87/34/62/394873462.db2.gz QVIHJKRHBIRWTC-ZNMIVQPWSA-N 2 1 254.418 2.297 20 0 CEADMP CO[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000336805801 394876311 /nfs/dbraw/zinc/87/63/11/394876311.db2.gz RBSJPXTUWSGDJN-DZGCQCFKSA-N 2 1 265.401 2.471 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000336805801 394876315 /nfs/dbraw/zinc/87/63/15/394876315.db2.gz RBSJPXTUWSGDJN-DZGCQCFKSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCCO1 ZINC000336804248 394876714 /nfs/dbraw/zinc/87/67/14/394876714.db2.gz SYSRZGDQQUVYOQ-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP CC[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCCO1 ZINC000336804248 394876717 /nfs/dbraw/zinc/87/67/17/394876717.db2.gz SYSRZGDQQUVYOQ-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP C[C@]1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[NH2+]C1 ZINC000415074943 394877323 /nfs/dbraw/zinc/87/73/23/394877323.db2.gz ASLSIOLTFIRTBV-HNNXBMFYSA-N 2 1 296.798 2.200 20 0 CEADMP CCCCN1CCC([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000415082202 394880066 /nfs/dbraw/zinc/88/00/66/394880066.db2.gz LNYXIWFVAZOZEG-LSDHHAIUSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]([NH2+]CCSCC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423011585 394881005 /nfs/dbraw/zinc/88/10/05/394881005.db2.gz BATWBXNJCYTIEB-NXEZZACHSA-N 2 1 270.364 2.402 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414962260 394827425 /nfs/dbraw/zinc/82/74/25/394827425.db2.gz BZCQIMJJRLQKQS-GFCCVEGCSA-N 2 1 298.333 2.486 20 0 CEADMP CO[C@H](C)c1nc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000422849844 394827803 /nfs/dbraw/zinc/82/78/03/394827803.db2.gz MLUCWBSAGHNHOO-MDZLAQPJSA-N 2 1 283.441 2.458 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414968845 394830478 /nfs/dbraw/zinc/83/04/78/394830478.db2.gz YOWZHEYGTSFUGI-QMTHXVAHSA-N 2 1 252.789 2.395 20 0 CEADMP C[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])[N@H+]1CCCC[C@H]1C ZINC000422853164 394831014 /nfs/dbraw/zinc/83/10/14/394831014.db2.gz BOFOBNZVYMHSEO-LVQVYYBASA-N 2 1 267.461 2.356 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])N1CCCC[C@H]1C ZINC000422853164 394831016 /nfs/dbraw/zinc/83/10/16/394831016.db2.gz BOFOBNZVYMHSEO-LVQVYYBASA-N 2 1 267.461 2.356 20 0 CEADMP CC[NH2+][C@H](C)CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000414969614 394831311 /nfs/dbraw/zinc/83/13/11/394831311.db2.gz ZLWDLANKWHFIJC-ZMSDIMECSA-N 2 1 275.440 2.095 20 0 CEADMP Cc1cn2c(n1)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000361660637 394834337 /nfs/dbraw/zinc/83/43/37/394834337.db2.gz BZUZVYIEYRLPBL-ILXRZTDVSA-N 2 1 276.428 2.141 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000422868668 394839727 /nfs/dbraw/zinc/83/97/27/394839727.db2.gz VHOMJYYZRGHQJK-OAOQPFQOSA-N 2 1 287.451 2.160 20 0 CEADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000415088294 394883384 /nfs/dbraw/zinc/88/33/84/394883384.db2.gz WGLKVZRHTBGDBV-MGPQQGTHSA-N 2 1 254.418 2.169 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422884667 394849381 /nfs/dbraw/zinc/84/93/81/394849381.db2.gz SNHXKXXIWGBLSV-VPSFDDGASA-N 3 1 279.472 2.371 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422886785 394850024 /nfs/dbraw/zinc/85/00/24/394850024.db2.gz XRGGTYDDGZZYGC-ZACQAIPSSA-N 3 1 281.488 2.476 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422894171 394853739 /nfs/dbraw/zinc/85/37/39/394853739.db2.gz SLUSCMZZOUBXJS-HZPDHXFCSA-N 2 1 288.439 2.431 20 0 CEADMP CCc1oc2ccccc2c1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415033087 394856657 /nfs/dbraw/zinc/85/66/57/394856657.db2.gz IKCMLVXJCGBFPT-VIKVFOODSA-N 2 1 256.349 2.303 20 0 CEADMP CC(C)c1nc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cs1 ZINC000422903875 394856938 /nfs/dbraw/zinc/85/69/38/394856938.db2.gz PGJXFANGXNXAPZ-DGCLKSJQSA-N 2 1 267.442 2.397 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422906838 394858716 /nfs/dbraw/zinc/85/87/16/394858716.db2.gz KLPQNFPVPRNBEM-QLFBSQMISA-N 2 1 253.434 2.110 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422906838 394858720 /nfs/dbraw/zinc/85/87/20/394858720.db2.gz KLPQNFPVPRNBEM-QLFBSQMISA-N 2 1 253.434 2.110 20 0 CEADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cncc(F)c1 ZINC000423027813 394884399 /nfs/dbraw/zinc/88/43/99/394884399.db2.gz DZCSJGFVVVACNN-SDDRHHMPSA-N 2 1 251.349 2.259 20 0 CEADMP c1c2ccccc2sc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415045709 394861908 /nfs/dbraw/zinc/86/19/08/394861908.db2.gz UBHSGDUVUSFUGR-ZDUSSCGKSA-N 2 1 276.405 2.369 20 0 CEADMP Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc[nH+]1 ZINC000364360755 394893873 /nfs/dbraw/zinc/89/38/73/394893873.db2.gz LXCWZLBSAYCUNZ-BPUTZDHNSA-N 2 1 257.381 2.311 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423266988 394889114 /nfs/dbraw/zinc/88/91/14/394889114.db2.gz DNDJLSHWMSGBQH-BHYGNILZSA-N 2 1 275.440 2.267 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000423266988 394889120 /nfs/dbraw/zinc/88/91/20/394889120.db2.gz DNDJLSHWMSGBQH-BHYGNILZSA-N 2 1 275.440 2.267 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423245095 394889220 /nfs/dbraw/zinc/88/92/20/394889220.db2.gz INRSEOOSRQOJEL-NJAFHUGGSA-N 3 1 287.451 2.411 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423245095 394889224 /nfs/dbraw/zinc/88/92/24/394889224.db2.gz INRSEOOSRQOJEL-NJAFHUGGSA-N 3 1 287.451 2.411 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000130548238 394889591 /nfs/dbraw/zinc/88/95/91/394889591.db2.gz KQIHPCRMIDDOQR-HIFRSBDPSA-N 2 1 290.407 2.278 20 0 CEADMP C[N@H+]1CC[C@@H](N[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423299109 394889942 /nfs/dbraw/zinc/88/99/42/394889942.db2.gz BJRZBWIYQUNPTL-IKGGRYGDSA-N 2 1 273.424 2.164 20 0 CEADMP O=C1CC[C@H]([NH2+]CCC[NH2+]C2CC2)c2cc(F)ccc2N1 ZINC000423570887 394953444 /nfs/dbraw/zinc/95/34/44/394953444.db2.gz XGZDDUUGJVJVDP-AWEZNQCLSA-N 2 1 291.370 2.331 20 0 CEADMP C(C[NH2+]C1CC1)C[NH2+][C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423570013 394953561 /nfs/dbraw/zinc/95/35/61/394953561.db2.gz WOXKPMCVQKCVQA-OAGGEKHMSA-N 3 1 265.445 2.029 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000415122956 394897824 /nfs/dbraw/zinc/89/78/24/394897824.db2.gz OSSGCLTXPWPCRJ-QGZVFWFLSA-N 2 1 286.423 2.394 20 0 CEADMP CC(C)[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000423355729 394898649 /nfs/dbraw/zinc/89/86/49/394898649.db2.gz FZPVGRSOTSVPQE-QLFBSQMISA-N 2 1 297.487 2.233 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000133641030 394954193 /nfs/dbraw/zinc/95/41/93/394954193.db2.gz DGNUPNDHXMIVDT-PBFPGSCMSA-N 2 1 258.409 2.472 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)cn1 ZINC000423374763 394906057 /nfs/dbraw/zinc/90/60/57/394906057.db2.gz IKGUTFQHZJSRMU-UHTWSYAYSA-N 2 1 251.349 2.402 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc2cccnc21 ZINC000131529079 394912537 /nfs/dbraw/zinc/91/25/37/394912537.db2.gz QBCADYYMWYFFPF-CHWSQXEVSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423420684 394917545 /nfs/dbraw/zinc/91/75/45/394917545.db2.gz JOWJQWFTIJMJSN-OXGONZEZSA-N 3 1 267.461 2.070 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423420684 394917552 /nfs/dbraw/zinc/91/75/52/394917552.db2.gz JOWJQWFTIJMJSN-OXGONZEZSA-N 2 1 267.461 2.070 20 0 CEADMP COC[C@]1(C[NH2+][C@@H]2c3ccccc3C[C@H]2C)CCC[NH2+]1 ZINC000423427819 394919922 /nfs/dbraw/zinc/91/99/22/394919922.db2.gz NVCSBEXQPYMDTD-XOKHGSTOSA-N 2 1 274.408 2.278 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@H](C)[NH3+] ZINC000423450717 394922923 /nfs/dbraw/zinc/92/29/23/394922923.db2.gz UBZWNTWDPLQXIE-MJBXVCDLSA-N 3 1 279.428 2.013 20 0 CEADMP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccc(C(=O)OC)cc1 ZINC000423455770 394924634 /nfs/dbraw/zinc/92/46/34/394924634.db2.gz CUOZIMOUVTZNDJ-GYSYKLTISA-N 2 1 264.369 2.250 20 0 CEADMP CC[NH2+][C@H](C)CNC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000423611147 394957384 /nfs/dbraw/zinc/95/73/84/394957384.db2.gz RRXUPBQPRAZIIJ-GDBMZVCRSA-N 2 1 291.439 2.011 20 0 CEADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCC2 ZINC000423497504 394935489 /nfs/dbraw/zinc/93/54/89/394935489.db2.gz ZBIUPSIMBWCVGZ-RYUDHWBXSA-N 2 1 295.452 2.051 20 0 CEADMP Cc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C2CCC2)cc1 ZINC000423504922 394939317 /nfs/dbraw/zinc/93/93/17/394939317.db2.gz GEURKOPCMCRPJF-QZTJIDSGSA-N 2 1 287.451 2.329 20 0 CEADMP Cc1nocc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000339213943 394952875 /nfs/dbraw/zinc/95/28/75/394952875.db2.gz KGVYKNGBGHNLLB-UHFFFAOYSA-N 2 1 289.379 2.213 20 0 CEADMP CC(C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000340283313 394983031 /nfs/dbraw/zinc/98/30/31/394983031.db2.gz YZYONULVSWXJKA-INIZCTEOSA-N 2 1 267.461 2.275 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CC(F)F)C[C@H]1c1ccccc1 ZINC000340368060 394985437 /nfs/dbraw/zinc/98/54/37/394985437.db2.gz AAPRTKWXGVRKKY-KKUMJFAQSA-N 2 1 298.377 2.428 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)CC(F)F)C[C@H]1c1ccccc1 ZINC000340368060 394985442 /nfs/dbraw/zinc/98/54/42/394985442.db2.gz AAPRTKWXGVRKKY-KKUMJFAQSA-N 2 1 298.377 2.428 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000423790970 394988890 /nfs/dbraw/zinc/98/88/90/394988890.db2.gz BVLHEYMQJFVGSV-VYDXJSESSA-N 2 1 295.471 2.131 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000423790967 394988960 /nfs/dbraw/zinc/98/89/60/394988960.db2.gz BVLHEYMQJFVGSV-HLLBOEOZSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCC(F)(F)F ZINC000370660296 395010384 /nfs/dbraw/zinc/01/03/84/395010384.db2.gz KKKKJTQJBIRLFH-FRRDWIJNSA-N 2 1 294.361 2.418 20 0 CEADMP Cc1ccc2ncc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)n2c1 ZINC000370895626 395021436 /nfs/dbraw/zinc/02/14/36/395021436.db2.gz PRAMQZRHWNIWDN-GJZGRUSLSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)n2c1 ZINC000370895626 395021439 /nfs/dbraw/zinc/02/14/39/395021439.db2.gz PRAMQZRHWNIWDN-GJZGRUSLSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)n2c1 ZINC000370895626 395021442 /nfs/dbraw/zinc/02/14/42/395021442.db2.gz PRAMQZRHWNIWDN-GJZGRUSLSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1ccc2ncc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)n2c1 ZINC000370895628 395021580 /nfs/dbraw/zinc/02/15/80/395021580.db2.gz PRAMQZRHWNIWDN-LSDHHAIUSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)n2c1 ZINC000370895628 395021583 /nfs/dbraw/zinc/02/15/83/395021583.db2.gz PRAMQZRHWNIWDN-LSDHHAIUSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)n2c1 ZINC000370895628 395021586 /nfs/dbraw/zinc/02/15/86/395021586.db2.gz PRAMQZRHWNIWDN-LSDHHAIUSA-N 2 1 284.407 2.359 20 0 CEADMP COCCSCCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339437626 394961364 /nfs/dbraw/zinc/96/13/64/394961364.db2.gz NLNRZJUMBVPRSY-OAHLLOKOSA-N 2 1 286.485 2.174 20 0 CEADMP COCCSCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339437626 394961367 /nfs/dbraw/zinc/96/13/67/394961367.db2.gz NLNRZJUMBVPRSY-OAHLLOKOSA-N 2 1 286.485 2.174 20 0 CEADMP COCCSCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339437626 394961368 /nfs/dbraw/zinc/96/13/68/394961368.db2.gz NLNRZJUMBVPRSY-OAHLLOKOSA-N 2 1 286.485 2.174 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000158829810 395054445 /nfs/dbraw/zinc/05/44/45/395054445.db2.gz BGWWZSAYQINKQF-CABCVRRESA-N 2 1 276.428 2.268 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000158829810 395054447 /nfs/dbraw/zinc/05/44/47/395054447.db2.gz BGWWZSAYQINKQF-CABCVRRESA-N 2 1 276.428 2.268 20 0 CEADMP CC[N@H+]1CC[C@H](NCCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000345240675 395064455 /nfs/dbraw/zinc/06/44/55/395064455.db2.gz UHAYVTXBGKJAJB-GJZGRUSLSA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+]1CC[C@H](NCCC[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000345240675 395064459 /nfs/dbraw/zinc/06/44/59/395064459.db2.gz UHAYVTXBGKJAJB-GJZGRUSLSA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+]1CC[C@H](NCCC[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000345240675 395064460 /nfs/dbraw/zinc/06/44/60/395064460.db2.gz UHAYVTXBGKJAJB-GJZGRUSLSA-N 2 1 255.450 2.037 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000345240675 395064463 /nfs/dbraw/zinc/06/44/63/395064463.db2.gz UHAYVTXBGKJAJB-GJZGRUSLSA-N 3 1 255.450 2.037 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000345240675 395064464 /nfs/dbraw/zinc/06/44/64/395064464.db2.gz UHAYVTXBGKJAJB-GJZGRUSLSA-N 3 1 255.450 2.037 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000345240675 395064466 /nfs/dbraw/zinc/06/44/66/395064466.db2.gz UHAYVTXBGKJAJB-GJZGRUSLSA-N 3 1 255.450 2.037 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000345240675 395064468 /nfs/dbraw/zinc/06/44/68/395064468.db2.gz UHAYVTXBGKJAJB-GJZGRUSLSA-N 3 1 255.450 2.037 20 0 CEADMP CO[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C(F)(F)F ZINC000345475019 395067676 /nfs/dbraw/zinc/06/76/76/395067676.db2.gz BMADGRZVFCNUBN-DDHJBXDOSA-N 2 1 282.350 2.272 20 0 CEADMP CCOC[C@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000162141545 395070539 /nfs/dbraw/zinc/07/05/39/395070539.db2.gz IECOUHGVNSCCGP-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP CCOC[C@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000162141545 395070543 /nfs/dbraw/zinc/07/05/43/395070543.db2.gz IECOUHGVNSCCGP-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000162240588 395071654 /nfs/dbraw/zinc/07/16/54/395071654.db2.gz MPKAGWXDBYWYNW-ZFWWWQNUSA-N 2 1 286.423 2.275 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CCC1CCOCC1 ZINC000162250369 395072720 /nfs/dbraw/zinc/07/27/20/395072720.db2.gz KGWZXFZEGLRWOF-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CCC1CCOCC1 ZINC000162250369 395072722 /nfs/dbraw/zinc/07/27/22/395072722.db2.gz KGWZXFZEGLRWOF-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CCC1CCOCC1 ZINC000162250369 395072723 /nfs/dbraw/zinc/07/27/23/395072723.db2.gz KGWZXFZEGLRWOF-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000162573389 395076808 /nfs/dbraw/zinc/07/68/08/395076808.db2.gz SLQKRDYVFOYLTD-DZGCQCFKSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000162573389 395076810 /nfs/dbraw/zinc/07/68/10/395076810.db2.gz SLQKRDYVFOYLTD-DZGCQCFKSA-N 2 1 265.401 2.207 20 0 CEADMP CC1CCC(O)(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000162814685 395079171 /nfs/dbraw/zinc/07/91/71/395079171.db2.gz NDRDAQDYYCSPAP-GMRIPVOYSA-N 2 1 280.456 2.344 20 0 CEADMP CC1CCC(O)(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000162814685 395079175 /nfs/dbraw/zinc/07/91/75/395079175.db2.gz NDRDAQDYYCSPAP-GMRIPVOYSA-N 2 1 280.456 2.344 20 0 CEADMP CC1CCC(O)(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000162814685 395079178 /nfs/dbraw/zinc/07/91/78/395079178.db2.gz NDRDAQDYYCSPAP-GMRIPVOYSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Cn2cccn2)CC1 ZINC000163096463 395080689 /nfs/dbraw/zinc/08/06/89/395080689.db2.gz BVYFMFPQCMHGAC-INIZCTEOSA-N 2 1 276.428 2.079 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@H](Oc2ccncc2)C1 ZINC000163275238 395083037 /nfs/dbraw/zinc/08/30/37/395083037.db2.gz QHKFBCQAYFIMTJ-ZBFHGGJFSA-N 2 1 275.396 2.019 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccncc2)C1 ZINC000163275238 395083040 /nfs/dbraw/zinc/08/30/40/395083040.db2.gz QHKFBCQAYFIMTJ-ZBFHGGJFSA-N 2 1 275.396 2.019 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccncc2)C1 ZINC000163275238 395083043 /nfs/dbraw/zinc/08/30/43/395083043.db2.gz QHKFBCQAYFIMTJ-ZBFHGGJFSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000163275238 395083046 /nfs/dbraw/zinc/08/30/46/395083046.db2.gz QHKFBCQAYFIMTJ-ZBFHGGJFSA-N 3 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000163275238 395083049 /nfs/dbraw/zinc/08/30/49/395083049.db2.gz QHKFBCQAYFIMTJ-ZBFHGGJFSA-N 3 1 275.396 2.019 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426914329 395085881 /nfs/dbraw/zinc/08/58/81/395085881.db2.gz PDOKLBNHDIQHAG-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000289791529 395087083 /nfs/dbraw/zinc/08/70/83/395087083.db2.gz NGNZEWYKBCOUOU-BGTYHANMSA-N 2 1 288.435 2.225 20 0 CEADMP C[C@H](c1ccc(F)cc1)N(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289916781 395090751 /nfs/dbraw/zinc/09/07/51/395090751.db2.gz OIFZKHKBWGUVDZ-WBMJQRKESA-N 2 1 280.387 2.274 20 0 CEADMP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000289916781 395090752 /nfs/dbraw/zinc/09/07/52/395090752.db2.gz OIFZKHKBWGUVDZ-WBMJQRKESA-N 2 1 280.387 2.274 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@@H+](C)CC[C@H]([NH3+])C(C)C)CCO1 ZINC000346668552 395103264 /nfs/dbraw/zinc/10/32/64/395103264.db2.gz IVVPNZBQDXPURK-ZNMIVQPWSA-N 2 1 256.434 2.497 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2OCCc3ccccc32)CC[N@H+]1C ZINC000158126145 395038190 /nfs/dbraw/zinc/03/81/90/395038190.db2.gz ZSBZUHZKQUJHLI-UKPHBRMFSA-N 2 1 274.408 2.373 20 0 CEADMP COc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cn1 ZINC000436276340 395105230 /nfs/dbraw/zinc/10/52/30/395105230.db2.gz SNJHUVDOBSMFLS-UHFFFAOYSA-N 2 1 275.396 2.197 20 0 CEADMP C[C@H]([NH2+]CC1(C)COC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347939885 395131497 /nfs/dbraw/zinc/13/14/97/395131497.db2.gz VJROCDYDRYHSCA-UONOGXRCSA-N 2 1 266.429 2.266 20 0 CEADMP CC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377331144 395137039 /nfs/dbraw/zinc/13/70/39/395137039.db2.gz RGBKDJXSFJQCQG-ROUUACIJSA-N 2 1 286.419 2.419 20 0 CEADMP CC(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377331144 395137044 /nfs/dbraw/zinc/13/70/44/395137044.db2.gz RGBKDJXSFJQCQG-ROUUACIJSA-N 2 1 286.419 2.419 20 0 CEADMP CC(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377331144 395137048 /nfs/dbraw/zinc/13/70/48/395137048.db2.gz RGBKDJXSFJQCQG-ROUUACIJSA-N 2 1 286.419 2.419 20 0 CEADMP CC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377331144 395137054 /nfs/dbraw/zinc/13/70/54/395137054.db2.gz RGBKDJXSFJQCQG-ROUUACIJSA-N 2 1 286.419 2.419 20 0 CEADMP C[N@@H+](C[C@H]1CC=CCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377635032 395141108 /nfs/dbraw/zinc/14/11/08/395141108.db2.gz ZLPYRYUFYGXKQH-FUHWJXTLSA-N 2 1 291.483 2.443 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@](C)(CO)c1ccccc1 ZINC000348256446 395141196 /nfs/dbraw/zinc/14/11/96/395141196.db2.gz NHWCQOVJZWIRQM-AHCXZYCDSA-N 2 1 290.451 2.255 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417915759 395159874 /nfs/dbraw/zinc/15/98/74/395159874.db2.gz VAVCYMXIPZVDCR-UONOGXRCSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC000430115937 395162039 /nfs/dbraw/zinc/16/20/39/395162039.db2.gz CHCNBVZOPHKFHW-XHSDSOJGSA-N 2 1 266.429 2.219 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CCO1 ZINC000430115937 395162046 /nfs/dbraw/zinc/16/20/46/395162046.db2.gz CHCNBVZOPHKFHW-XHSDSOJGSA-N 2 1 266.429 2.219 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC000430115937 395162051 /nfs/dbraw/zinc/16/20/51/395162051.db2.gz CHCNBVZOPHKFHW-XHSDSOJGSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000430606705 395165376 /nfs/dbraw/zinc/16/53/76/395165376.db2.gz AELZLMUZERWHOO-ZDUSSCGKSA-N 2 1 293.386 2.086 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000430952029 395167558 /nfs/dbraw/zinc/16/75/58/395167558.db2.gz XFXCKWXJHIBIQF-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000380934934 395169703 /nfs/dbraw/zinc/16/97/03/395169703.db2.gz WJPNJWYQWSKPIS-ZBFHGGJFSA-N 2 1 262.397 2.435 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000380972311 395171541 /nfs/dbraw/zinc/17/15/41/395171541.db2.gz BBTPVYZYNKZROH-OIISXLGYSA-N 2 1 275.440 2.366 20 0 CEADMP CC(C)[N@H+]1CCCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000351548943 395228185 /nfs/dbraw/zinc/22/81/85/395228185.db2.gz WCTIRCCLGBZKGZ-MRXNPFEDSA-N 2 1 267.461 2.277 20 0 CEADMP CC(C)[NH+]1CCCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351548943 395228188 /nfs/dbraw/zinc/22/81/88/395228188.db2.gz WCTIRCCLGBZKGZ-MRXNPFEDSA-N 2 1 267.461 2.277 20 0 CEADMP CC(C)[NH+]1CCCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351548943 395228190 /nfs/dbraw/zinc/22/81/90/395228190.db2.gz WCTIRCCLGBZKGZ-MRXNPFEDSA-N 2 1 267.461 2.277 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000351628361 395229470 /nfs/dbraw/zinc/22/94/70/395229470.db2.gz JOFDWYFKTPDXNV-HOCLYGCPSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000351628361 395229474 /nfs/dbraw/zinc/22/94/74/395229474.db2.gz JOFDWYFKTPDXNV-HOCLYGCPSA-N 2 1 279.428 2.455 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000397889388 395229385 /nfs/dbraw/zinc/22/93/85/395229385.db2.gz OYTGGKFBKKEJHV-KGLIPLIRSA-N 2 1 299.459 2.221 20 0 CEADMP C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1c[nH+]ccc1N ZINC000520216715 395236890 /nfs/dbraw/zinc/23/68/90/395236890.db2.gz VHSULMQYTPNHDV-NSHDSACASA-N 2 1 281.363 2.232 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000382768112 395183613 /nfs/dbraw/zinc/18/36/13/395183613.db2.gz YRERJDWHMMFBLR-IRXDYDNUSA-N 2 1 287.451 2.192 20 0 CEADMP CC1CCC([N@H+](C[C@@H](O)C[NH+](C)C2CC2)C2CC2)CC1 ZINC000351334423 395204606 /nfs/dbraw/zinc/20/46/06/395204606.db2.gz DXPRXRNPAKVACW-PGEKIEPBSA-N 2 1 280.456 2.485 20 0 CEADMP CC1CCC([N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C2CC2)CC1 ZINC000351334423 395204609 /nfs/dbraw/zinc/20/46/09/395204609.db2.gz DXPRXRNPAKVACW-PGEKIEPBSA-N 2 1 280.456 2.485 20 0 CEADMP CC1CCC([NH+](C[C@@H](O)C[N@H+](C)C2CC2)C2CC2)CC1 ZINC000351334423 395204615 /nfs/dbraw/zinc/20/46/15/395204615.db2.gz DXPRXRNPAKVACW-PGEKIEPBSA-N 2 1 280.456 2.485 20 0 CEADMP CC1CCC([NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C2CC2)CC1 ZINC000351334423 395204619 /nfs/dbraw/zinc/20/46/19/395204619.db2.gz DXPRXRNPAKVACW-PGEKIEPBSA-N 2 1 280.456 2.485 20 0 CEADMP CCn1c2ccccc2nc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000519679447 395206616 /nfs/dbraw/zinc/20/66/16/395206616.db2.gz QWXBTNPZTPZZEM-OKILXGFUSA-N 2 1 284.407 2.050 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1cccs1 ZINC000519683998 395207552 /nfs/dbraw/zinc/20/75/52/395207552.db2.gz NHEALWNLPUUUCQ-OLZOCXBDSA-N 2 1 268.426 2.198 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1cccs1 ZINC000519683998 395207555 /nfs/dbraw/zinc/20/75/55/395207555.db2.gz NHEALWNLPUUUCQ-OLZOCXBDSA-N 2 1 268.426 2.198 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000519683998 395207558 /nfs/dbraw/zinc/20/75/58/395207558.db2.gz NHEALWNLPUUUCQ-OLZOCXBDSA-N 2 1 268.426 2.198 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000519683998 395207560 /nfs/dbraw/zinc/20/75/60/395207560.db2.gz NHEALWNLPUUUCQ-OLZOCXBDSA-N 2 1 268.426 2.198 20 0 CEADMP C(C[C@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000438201546 395212021 /nfs/dbraw/zinc/21/20/21/395212021.db2.gz MGJNGHISDJXHDV-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP C(C[C@H]1CCOC1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000438201546 395212025 /nfs/dbraw/zinc/21/20/25/395212025.db2.gz MGJNGHISDJXHDV-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)n1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cn1 ZINC000397299530 395220613 /nfs/dbraw/zinc/22/06/13/395220613.db2.gz CZAZCKNIMBHHNH-NFAWXSAZSA-N 2 1 264.417 2.269 20 0 CEADMP CC(C)n1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cn1 ZINC000397299530 395220616 /nfs/dbraw/zinc/22/06/16/395220616.db2.gz CZAZCKNIMBHHNH-NFAWXSAZSA-N 2 1 264.417 2.269 20 0 CEADMP CCc1cc(N2CCC[C@@H](C)[C@H]2CC[NH3+])nc(C)[nH+]1 ZINC000404351765 395282527 /nfs/dbraw/zinc/28/25/27/395282527.db2.gz JQUCOEOOOCQXNH-BXUZGUMPSA-N 2 1 262.401 2.301 20 0 CEADMP c1ccc(N2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420323740 395326043 /nfs/dbraw/zinc/32/60/43/395326043.db2.gz UTIVUARQKFSSCN-INIZCTEOSA-N 2 1 273.424 2.198 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCO2)[C@H]2CCC[C@H]21 ZINC000353391261 395297207 /nfs/dbraw/zinc/29/72/07/395297207.db2.gz BRLQRJDPMSSVKH-LJISPDSOSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1(C(=O)OC)CCC1 ZINC000353545321 395301580 /nfs/dbraw/zinc/30/15/80/395301580.db2.gz SHTGBEPQRSMDEQ-DZGCQCFKSA-N 2 1 294.439 2.182 20 0 CEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H](CCO)c1ccccc1 ZINC000420298192 395304053 /nfs/dbraw/zinc/30/40/53/395304053.db2.gz GZFWXJVDZLLNRS-ZBFHGGJFSA-N 2 1 262.397 2.042 20 0 CEADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000420300486 395305461 /nfs/dbraw/zinc/30/54/61/395305461.db2.gz HQCLJTAKIQRDGN-CABCVRRESA-N 2 1 290.407 2.148 20 0 CEADMP COCCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000420305555 395309246 /nfs/dbraw/zinc/30/92/46/395309246.db2.gz GPPQQAVVXASZRI-MRXNPFEDSA-N 2 1 277.412 2.062 20 0 CEADMP OCC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000420304388 395309316 /nfs/dbraw/zinc/30/93/16/395309316.db2.gz OJGCKUYQHHAYEZ-QAPCUYQASA-N 2 1 288.435 2.358 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000420306825 395310528 /nfs/dbraw/zinc/31/05/28/395310528.db2.gz AWMQQBUYFVNVQT-ZJUUUORDSA-N 2 1 273.302 2.270 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000420306825 395310531 /nfs/dbraw/zinc/31/05/31/395310531.db2.gz AWMQQBUYFVNVQT-ZJUUUORDSA-N 2 1 273.302 2.270 20 0 CEADMP Fc1cccc([C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)c1 ZINC000420312703 395316939 /nfs/dbraw/zinc/31/69/39/395316939.db2.gz XBDWGJSBFQIKOZ-CJNGLKHVSA-N 2 1 278.371 2.199 20 0 CEADMP Fc1cccc([C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)c1 ZINC000420312703 395316946 /nfs/dbraw/zinc/31/69/46/395316946.db2.gz XBDWGJSBFQIKOZ-CJNGLKHVSA-N 2 1 278.371 2.199 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000420313468 395318079 /nfs/dbraw/zinc/31/80/79/395318079.db2.gz UALNEUMDBMRIIE-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000420313468 395318081 /nfs/dbraw/zinc/31/80/81/395318081.db2.gz UALNEUMDBMRIIE-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420315143 395318122 /nfs/dbraw/zinc/31/81/22/395318122.db2.gz ZSVYGBIQSVMXEP-JKSUJKDBSA-N 2 1 295.471 2.004 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cn3)C[C@H]12 ZINC000420315177 395318911 /nfs/dbraw/zinc/31/89/11/395318911.db2.gz WPDVHNJOQJNPOP-TVYUQYBPSA-N 2 1 285.313 2.270 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+]CC2(C)COC2)C1 ZINC000352777136 395268563 /nfs/dbraw/zinc/26/85/63/395268563.db2.gz ALEHMLBTUQDKOK-ZIAGYGMSSA-N 2 1 268.445 2.369 20 0 CEADMP Cc1cn[nH]c1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000352824398 395271498 /nfs/dbraw/zinc/27/14/98/395271498.db2.gz QCEYALQKJVRWTH-CYBMUJFWSA-N 2 1 264.417 2.320 20 0 CEADMP Cc1c[nH]nc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000352824398 395271503 /nfs/dbraw/zinc/27/15/03/395271503.db2.gz QCEYALQKJVRWTH-CYBMUJFWSA-N 2 1 264.417 2.320 20 0 CEADMP Cc1c[nH]nc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000352824398 395271507 /nfs/dbraw/zinc/27/15/07/395271507.db2.gz QCEYALQKJVRWTH-CYBMUJFWSA-N 2 1 264.417 2.320 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420368019 395355271 /nfs/dbraw/zinc/35/52/71/395355271.db2.gz TVZRYWIOJVTSKU-HNNXBMFYSA-N 2 1 297.487 2.105 20 0 CEADMP COc1c(C)c[nH+]c(CN(C2CC2)[C@@H]2CC[NH2+]C2)c1C ZINC000435236923 395357668 /nfs/dbraw/zinc/35/76/68/395357668.db2.gz LCDUIPJZFOFNNT-CQSZACIVSA-N 2 1 275.396 2.033 20 0 CEADMP CCC(C)(C)CC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420377110 395361820 /nfs/dbraw/zinc/36/18/20/395361820.db2.gz KQVRAZIUBYFSFU-CQSZACIVSA-N 2 1 279.432 2.200 20 0 CEADMP CC[N@H+](Cc1cc(O)cc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435370062 395365436 /nfs/dbraw/zinc/36/54/36/395365436.db2.gz HHYCMVUSUFVACZ-AWEZNQCLSA-N 2 1 266.360 2.495 20 0 CEADMP CC[N@@H+](Cc1cc(O)cc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435370062 395365441 /nfs/dbraw/zinc/36/54/41/395365441.db2.gz HHYCMVUSUFVACZ-AWEZNQCLSA-N 2 1 266.360 2.495 20 0 CEADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000420381979 395365903 /nfs/dbraw/zinc/36/59/03/395365903.db2.gz DAPJYEIRJIHZEB-KFWWJZLASA-N 2 1 254.418 2.252 20 0 CEADMP COCCOc1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435430990 395366862 /nfs/dbraw/zinc/36/68/62/395366862.db2.gz GMTUNWLNWLBVCQ-MRXNPFEDSA-N 2 1 292.423 2.286 20 0 CEADMP FC(F)(F)CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420406965 395372389 /nfs/dbraw/zinc/37/23/89/395372389.db2.gz UZHWYCVAIHUHMI-GHMZBOCLSA-N 2 1 250.308 2.403 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000420405478 395372705 /nfs/dbraw/zinc/37/27/05/395372705.db2.gz MYRNSVLFEVJCCV-TVYUQYBPSA-N 2 1 254.761 2.107 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420407445 395373116 /nfs/dbraw/zinc/37/31/16/395373116.db2.gz VIMKYMBYBQPHJC-OLZOCXBDSA-N 2 1 294.361 2.419 20 0 CEADMP CN(CC[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435623954 395378983 /nfs/dbraw/zinc/37/89/83/395378983.db2.gz IIVLLTNSFDTEBO-INIZCTEOSA-N 2 1 261.413 2.197 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442782822 395394883 /nfs/dbraw/zinc/39/48/83/395394883.db2.gz SDBGDSHZJHYIQX-DGCLKSJQSA-N 2 1 293.386 2.132 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCO[C@H]1CCCC[C@H]1C ZINC000442778697 395395037 /nfs/dbraw/zinc/39/50/37/395395037.db2.gz KLEPFDODFWHBKQ-TUVASFSCSA-N 2 1 254.418 2.251 20 0 CEADMP CC[C@H](C)[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442864844 395396386 /nfs/dbraw/zinc/39/63/86/395396386.db2.gz APWCCVIEXNPPKO-KBPBESRZSA-N 2 1 255.450 2.037 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420360864 395348644 /nfs/dbraw/zinc/34/86/44/395348644.db2.gz LOXKJROHLMCKFP-AWEZNQCLSA-N 2 1 295.402 2.426 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](CCC[NH2+]C)CC1)CC1CC1 ZINC000420365586 395352499 /nfs/dbraw/zinc/35/24/99/395352499.db2.gz FAEMCYBLVFDNTO-UHFFFAOYSA-N 3 1 281.488 2.430 20 0 CEADMP CCC[C@@]1(CO)CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000444768334 395453093 /nfs/dbraw/zinc/45/30/93/395453093.db2.gz DAGLAVZCZXUTJR-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP CCC[C@@]1(CO)CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000444768334 395453097 /nfs/dbraw/zinc/45/30/97/395453097.db2.gz DAGLAVZCZXUTJR-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP CCC[C@@]1(CO)CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000444768334 395453100 /nfs/dbraw/zinc/45/31/00/395453100.db2.gz DAGLAVZCZXUTJR-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000355326786 395412374 /nfs/dbraw/zinc/41/23/74/395412374.db2.gz DINVOYWTXCZCAG-XJFOESAGSA-N 2 1 256.434 2.366 20 0 CEADMP C=Cn1cc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cn1 ZINC000193998701 395421499 /nfs/dbraw/zinc/42/14/99/395421499.db2.gz JJAYDNCOKGMWGQ-UKRRQHHQSA-N 2 1 262.401 2.146 20 0 CEADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000355363627 395423328 /nfs/dbraw/zinc/42/33/28/395423328.db2.gz ICOOGGLHZSQOBQ-KCPJHIHWSA-N 2 1 266.429 2.262 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000444600388 395439576 /nfs/dbraw/zinc/43/95/76/395439576.db2.gz VVQTVKBIUFBMBB-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000444600388 395439578 /nfs/dbraw/zinc/43/95/78/395439578.db2.gz VVQTVKBIUFBMBB-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP CCC[NH+]1CCC(N(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000355408702 395439686 /nfs/dbraw/zinc/43/96/86/395439686.db2.gz FXRAUKVTRJLSHJ-GASCZTMLSA-N 2 1 295.471 2.192 20 0 CEADMP [NH3+][C@H]1CCC[C@@H](NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000566483795 395530218 /nfs/dbraw/zinc/53/02/18/395530218.db2.gz YCXLJIWFEIAAJB-ZWKOTPCHSA-N 2 1 287.451 2.294 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)C1 ZINC000566483795 395530220 /nfs/dbraw/zinc/53/02/20/395530220.db2.gz YCXLJIWFEIAAJB-ZWKOTPCHSA-N 2 1 287.451 2.294 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@H]1[NH3+] ZINC000567864707 395537305 /nfs/dbraw/zinc/53/73/05/395537305.db2.gz KIQPRDJGXQWIEQ-XJKSGUPXSA-N 2 1 282.391 2.313 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@H]1[NH3+] ZINC000567864707 395537307 /nfs/dbraw/zinc/53/73/07/395537307.db2.gz KIQPRDJGXQWIEQ-XJKSGUPXSA-N 2 1 282.391 2.313 20 0 CEADMP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000446749531 395498130 /nfs/dbraw/zinc/49/81/30/395498130.db2.gz BCQXZHZDICEAHG-BBRMVZONSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1cccc([C@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000566114612 395500003 /nfs/dbraw/zinc/50/00/03/395500003.db2.gz CHGUEJIJIISZFJ-RHSMWYFYSA-N 2 1 276.424 2.143 20 0 CEADMP Cc1cccc([C@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000566114612 395500006 /nfs/dbraw/zinc/50/00/06/395500006.db2.gz CHGUEJIJIISZFJ-RHSMWYFYSA-N 2 1 276.424 2.143 20 0 CEADMP CC(C)C[C@@]1(C)CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000451287145 395603315 /nfs/dbraw/zinc/60/33/15/395603315.db2.gz FNTSUXRRHQYBPO-QGZVFWFLSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[C@@]1(C)CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000451287145 395603316 /nfs/dbraw/zinc/60/33/16/395603316.db2.gz FNTSUXRRHQYBPO-QGZVFWFLSA-N 2 1 295.471 2.051 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1O ZINC000568377583 395556235 /nfs/dbraw/zinc/55/62/35/395556235.db2.gz HGYPYERLZJFGJU-OLZOCXBDSA-N 2 1 278.396 2.393 20 0 CEADMP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cn1 ZINC000568407806 395558343 /nfs/dbraw/zinc/55/83/43/395558343.db2.gz SHSZFBKTAUOABI-DZGCQCFKSA-N 2 1 276.428 2.238 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cn1 ZINC000568407806 395558346 /nfs/dbraw/zinc/55/83/46/395558346.db2.gz SHSZFBKTAUOABI-DZGCQCFKSA-N 2 1 276.428 2.238 20 0 CEADMP CCc1cc(N2CC[NH+](Cc3cccnc3)CC2)cc[nH+]1 ZINC000450228716 395569225 /nfs/dbraw/zinc/56/92/25/395569225.db2.gz BWIOQVRLECLEHY-UHFFFAOYSA-N 2 1 282.391 2.361 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)C(F)(F)F)c1 ZINC000569449850 395578151 /nfs/dbraw/zinc/57/81/51/395578151.db2.gz PRQMBBVBPNZZAI-ZDUSSCGKSA-N 2 1 290.329 2.151 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000573806702 395619186 /nfs/dbraw/zinc/61/91/86/395619186.db2.gz JCZQRLOMYKKJKV-CYBMUJFWSA-N 2 1 272.396 2.384 20 0 CEADMP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000573806702 395619188 /nfs/dbraw/zinc/61/91/88/395619188.db2.gz JCZQRLOMYKKJKV-CYBMUJFWSA-N 2 1 272.396 2.384 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000573806702 395619190 /nfs/dbraw/zinc/61/91/90/395619190.db2.gz JCZQRLOMYKKJKV-CYBMUJFWSA-N 2 1 272.396 2.384 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000572852890 395591334 /nfs/dbraw/zinc/59/13/34/395591334.db2.gz QMSRNGHULGFHCA-MRXNPFEDSA-N 2 1 277.412 2.244 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000572852890 395591335 /nfs/dbraw/zinc/59/13/35/395591335.db2.gz QMSRNGHULGFHCA-MRXNPFEDSA-N 2 1 277.412 2.244 20 0 CEADMP COc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C)O[C@H](C)C2 ZINC000574381691 395628888 /nfs/dbraw/zinc/62/88/88/395628888.db2.gz CHSGYCRBLCSKTP-YWPYICTPSA-N 2 1 290.407 2.106 20 0 CEADMP CC[NH2+]CCCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000574391383 395629030 /nfs/dbraw/zinc/62/90/30/395629030.db2.gz ZXYTZAGIGIFCJR-DLBZAZTESA-N 2 1 275.440 2.411 20 0 CEADMP Cc1cnccc1CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000574449694 395630170 /nfs/dbraw/zinc/63/01/70/395630170.db2.gz MDPSWDINUZHGGX-UHFFFAOYSA-N 2 1 261.413 2.395 20 0 CEADMP Cn1cc(C[NH2+]CCC[NH+]2CCC2)c(-c2cccs2)n1 ZINC000574824047 395638509 /nfs/dbraw/zinc/63/85/09/395638509.db2.gz XLDHFBVVOMZEGV-UHFFFAOYSA-N 2 1 290.436 2.334 20 0 CEADMP COc1cc(F)cc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000574890341 395640181 /nfs/dbraw/zinc/64/01/81/395640181.db2.gz XBDMVFXTJRKSBY-UHFFFAOYSA-N 2 1 252.333 2.020 20 0 CEADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000647336705 395705478 /nfs/dbraw/zinc/70/54/78/395705478.db2.gz FDDHPUPMGBJBQZ-GCSSGZNBSA-N 2 1 268.445 2.246 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000647344002 395707064 /nfs/dbraw/zinc/70/70/64/395707064.db2.gz HMSQNOURNVUXTG-FGTMMUONSA-N 2 1 288.435 2.346 20 0 CEADMP COc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1O ZINC000647482976 395720270 /nfs/dbraw/zinc/72/02/70/395720270.db2.gz OKBROYWIFZUUTQ-UHFFFAOYSA-N 2 1 276.380 2.117 20 0 CEADMP COc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1O ZINC000647482976 395720271 /nfs/dbraw/zinc/72/02/71/395720271.db2.gz OKBROYWIFZUUTQ-UHFFFAOYSA-N 2 1 276.380 2.117 20 0 CEADMP C[NH2+]C1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000647495650 395721014 /nfs/dbraw/zinc/72/10/14/395721014.db2.gz WCHHKTNURJNSLD-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000647493734 395721251 /nfs/dbraw/zinc/72/12/51/395721251.db2.gz ACASTUCKZGYWIX-CYBMUJFWSA-N 2 1 255.365 2.276 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3cnccc32)CC[C@H]1[NH3+] ZINC000647496284 395721858 /nfs/dbraw/zinc/72/18/58/395721858.db2.gz CTTZXTCELUBSOL-MLGOLLRUSA-N 2 1 255.365 2.404 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CC[C@@H]1[NH3+] ZINC000647497825 395721902 /nfs/dbraw/zinc/72/19/02/395721902.db2.gz WNYGMDRVFVPZCN-WFASDCNBSA-N 2 1 290.436 2.493 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccncc2)CC[C@H]1[NH3+] ZINC000647498634 395722043 /nfs/dbraw/zinc/72/20/43/395722043.db2.gz LLWURYRTRFMRBQ-CZUORRHYSA-N 2 1 299.422 2.041 20 0 CEADMP CCc1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)s1 ZINC000647498766 395722064 /nfs/dbraw/zinc/72/20/64/395722064.db2.gz QDIOLKQOANOQEY-PWSUYJOCSA-N 2 1 253.415 2.265 20 0 CEADMP CCc1ncc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)s1 ZINC000647498766 395722066 /nfs/dbraw/zinc/72/20/66/395722066.db2.gz QDIOLKQOANOQEY-PWSUYJOCSA-N 2 1 253.415 2.265 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2cn3cccc(F)c3n2)CC1 ZINC000647503218 395722999 /nfs/dbraw/zinc/72/29/99/395722999.db2.gz ARCOOKPGIUFKCP-UHFFFAOYSA-N 2 1 290.386 2.295 20 0 CEADMP Cn1cc(C[NH+]2CCC(C)([NH3+])CC2)c(C(C)(C)C)n1 ZINC000647530832 395727140 /nfs/dbraw/zinc/72/71/40/395727140.db2.gz JKSTVXSBROZKGI-UHFFFAOYSA-N 2 1 264.417 2.031 20 0 CEADMP c1nc2ccccn2c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545677 395731881 /nfs/dbraw/zinc/73/18/81/395731881.db2.gz CWEQMHNSAXYYIY-CABCVRRESA-N 2 1 284.407 2.156 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cccc(C[NH3+])c1 ZINC000647607285 395737132 /nfs/dbraw/zinc/73/71/32/395737132.db2.gz GBUYYVQLNPWEEW-LBPRGKRZSA-N 2 1 286.379 2.494 20 0 CEADMP CC[C@H]1CN(c2[nH+]cnc3[nH]c(C)c(C)c32)CC[C@H]1[NH3+] ZINC000647707298 395746771 /nfs/dbraw/zinc/74/67/71/395746771.db2.gz AQMJHAZNYXYDOD-NWDGAFQWSA-N 2 1 273.384 2.138 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798167 395756866 /nfs/dbraw/zinc/75/68/66/395756866.db2.gz MTNRTAAGVGQQPP-LVQVYYBASA-N 3 1 267.461 2.085 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798167 395756867 /nfs/dbraw/zinc/75/68/67/395756867.db2.gz MTNRTAAGVGQQPP-LVQVYYBASA-N 3 1 267.461 2.085 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC[C@@H]1[NH3+] ZINC000647938671 395780103 /nfs/dbraw/zinc/78/01/03/395780103.db2.gz RIKMOJNRRLENRC-ZNMIVQPWSA-N 2 1 283.460 2.080 20 0 CEADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC[C@@H]1[NH3+] ZINC000647938671 395780107 /nfs/dbraw/zinc/78/01/07/395780107.db2.gz RIKMOJNRRLENRC-ZNMIVQPWSA-N 2 1 283.460 2.080 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000647848440 395763268 /nfs/dbraw/zinc/76/32/68/395763268.db2.gz RKDCYKMRPQHZAN-UHFFFAOYSA-N 2 1 289.423 2.093 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000647848440 395763269 /nfs/dbraw/zinc/76/32/69/395763269.db2.gz RKDCYKMRPQHZAN-UHFFFAOYSA-N 2 1 289.423 2.093 20 0 CEADMP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647873494 395766891 /nfs/dbraw/zinc/76/68/91/395766891.db2.gz PZOWMOCOEMIVEM-CJNGLKHVSA-N 2 1 290.407 2.450 20 0 CEADMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647873494 395766893 /nfs/dbraw/zinc/76/68/93/395766893.db2.gz PZOWMOCOEMIVEM-CJNGLKHVSA-N 2 1 290.407 2.450 20 0 CEADMP Cc1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1F ZINC000648071872 395825893 /nfs/dbraw/zinc/82/58/93/395825893.db2.gz YSEIDZUFHGVKME-UHFFFAOYSA-N 2 1 292.398 2.431 20 0 CEADMP Cc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1F ZINC000648071872 395825894 /nfs/dbraw/zinc/82/58/94/395825894.db2.gz YSEIDZUFHGVKME-UHFFFAOYSA-N 2 1 292.398 2.431 20 0 CEADMP CC(C)OCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976759 395793623 /nfs/dbraw/zinc/79/36/23/395793623.db2.gz TVJKXMCFKKBHGS-LSDHHAIUSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)COCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977380 395793798 /nfs/dbraw/zinc/79/37/98/395793798.db2.gz AKEJZBYXMGRPLO-HZPDHXFCSA-N 2 1 268.445 2.371 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977961 395794372 /nfs/dbraw/zinc/79/43/72/395794372.db2.gz KFCSWABEWLERRY-IAGOWNOFSA-N 3 1 281.488 2.430 20 0 CEADMP Fc1ccc(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CCOCC2)cc1 ZINC000647989689 395796567 /nfs/dbraw/zinc/79/65/67/395796567.db2.gz XTASBYRYSUVAQT-HNNXBMFYSA-N 2 1 292.398 2.416 20 0 CEADMP Clc1ccccc1O[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647989875 395796609 /nfs/dbraw/zinc/79/66/09/395796609.db2.gz AHAALUZOXHQROM-CHWSQXEVSA-N 2 1 280.799 2.403 20 0 CEADMP Clc1ccccc1O[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647989875 395796612 /nfs/dbraw/zinc/79/66/12/395796612.db2.gz AHAALUZOXHQROM-CHWSQXEVSA-N 2 1 280.799 2.403 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000648845123 395998818 /nfs/dbraw/zinc/99/88/18/395998818.db2.gz APPBZOIPEFKYRY-HOCLYGCPSA-N 2 1 295.471 2.050 20 0 CEADMP CCc1ccc2[nH+]ccc(N[C@H](C)[C@H]3C[N@H+](C)CCO3)c2c1 ZINC000649304603 396117660 /nfs/dbraw/zinc/11/76/60/396117660.db2.gz LSJUGTZHXRGFIU-FZKQIMNGSA-N 2 1 299.418 2.350 20 0 CEADMP CCc1ccc2[nH+]ccc(N[C@H](C)[C@H]3C[N@@H+](C)CCO3)c2c1 ZINC000649304603 396117662 /nfs/dbraw/zinc/11/76/62/396117662.db2.gz LSJUGTZHXRGFIU-FZKQIMNGSA-N 2 1 299.418 2.350 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1C1CCC1)C1CC1 ZINC000646139880 396303943 /nfs/dbraw/zinc/30/39/43/396303943.db2.gz GATIGRXBLLOISM-HZPDHXFCSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1C1CCC1)C1CC1 ZINC000646139880 396303945 /nfs/dbraw/zinc/30/39/45/396303945.db2.gz GATIGRXBLLOISM-HZPDHXFCSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C1CCC1)C1CC1 ZINC000646139880 396303946 /nfs/dbraw/zinc/30/39/46/396303946.db2.gz GATIGRXBLLOISM-HZPDHXFCSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@@H]1C1CCC1)C1CC1 ZINC000646139880 396303948 /nfs/dbraw/zinc/30/39/48/396303948.db2.gz GATIGRXBLLOISM-HZPDHXFCSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647174667 396429839 /nfs/dbraw/zinc/42/98/39/396429839.db2.gz INZZRHLFASCTHB-DOTOQJQBSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647174667 396429844 /nfs/dbraw/zinc/42/98/44/396429844.db2.gz INZZRHLFASCTHB-DOTOQJQBSA-N 2 1 288.435 2.402 20 0 CEADMP COC1(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CCCC1 ZINC000361543944 292112191 /nfs/dbraw/zinc/11/21/91/292112191.db2.gz RHTLTTYPTDOHTH-OWCLPIDISA-N 2 1 296.455 2.129 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCCO1 ZINC000386191436 400525748 /nfs/dbraw/zinc/52/57/48/400525748.db2.gz LBOGFQXXZQIFSP-LUGNKYPNSA-N 2 1 252.402 2.159 20 0 CEADMP Cc1csc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)n1 ZINC000386375125 400526197 /nfs/dbraw/zinc/52/61/97/400526197.db2.gz BZARSFGQMJMECM-NEPJUHHUSA-N 2 1 253.415 2.114 20 0 CEADMP Cc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000394152248 400547567 /nfs/dbraw/zinc/54/75/67/400547567.db2.gz SNUOMLUSWJITAP-JSGCOSHPSA-N 2 1 265.426 2.321 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCC(C)(C)C)CC1 ZINC000646027963 400718298 /nfs/dbraw/zinc/71/82/98/400718298.db2.gz SYGPXUCBSYPHRD-UHFFFAOYSA-N 2 1 297.487 2.343 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907160 400753935 /nfs/dbraw/zinc/75/39/35/400753935.db2.gz KFFDCBRRDYIADN-LBPRGKRZSA-N 2 1 255.312 2.313 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907160 400753940 /nfs/dbraw/zinc/75/39/40/400753940.db2.gz KFFDCBRRDYIADN-LBPRGKRZSA-N 2 1 255.312 2.313 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])nc1 ZINC000650711423 401001261 /nfs/dbraw/zinc/00/12/61/401001261.db2.gz TZDASSOAMLALAI-CJNGLKHVSA-N 2 1 277.412 2.430 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000650719324 401009134 /nfs/dbraw/zinc/00/91/34/401009134.db2.gz LRZFDRNNSOSPDF-UHFFFAOYSA-N 3 1 275.440 2.368 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+]C1CCN(C(C)C)CC1 ZINC000650719324 401009140 /nfs/dbraw/zinc/00/91/40/401009140.db2.gz LRZFDRNNSOSPDF-UHFFFAOYSA-N 2 1 275.440 2.368 20 0 CEADMP Cc1ccncc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723477 401011427 /nfs/dbraw/zinc/01/14/27/401011427.db2.gz OQPRZCFMEYBVDK-BRWVUGGUSA-N 2 1 289.423 2.251 20 0 CEADMP Cc1ccncc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723479 401011642 /nfs/dbraw/zinc/01/16/42/401011642.db2.gz OQPRZCFMEYBVDK-ZACQAIPSSA-N 2 1 289.423 2.251 20 0 CEADMP CCC1(CC)CCC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000651762781 401385728 /nfs/dbraw/zinc/38/57/28/401385728.db2.gz OTKGPMPBOONFBT-INIZCTEOSA-N 2 1 268.445 2.392 20 0 CEADMP CCC1(CC)CCC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000651762781 401385729 /nfs/dbraw/zinc/38/57/29/401385729.db2.gz OTKGPMPBOONFBT-INIZCTEOSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4cnccc4o3)C2)C1 ZINC000651816210 401397997 /nfs/dbraw/zinc/39/79/97/401397997.db2.gz IOMVHTSYUFWIHD-MRXNPFEDSA-N 2 1 271.364 2.355 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4cnccc4o3)C2)C1 ZINC000651816210 401398001 /nfs/dbraw/zinc/39/80/01/401398001.db2.gz IOMVHTSYUFWIHD-MRXNPFEDSA-N 2 1 271.364 2.355 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4cnccc4o3)C2)C1 ZINC000651816210 401398004 /nfs/dbraw/zinc/39/80/04/401398004.db2.gz IOMVHTSYUFWIHD-MRXNPFEDSA-N 2 1 271.364 2.355 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4cnccc4o3)C2)C1 ZINC000651816210 401398008 /nfs/dbraw/zinc/39/80/08/401398008.db2.gz IOMVHTSYUFWIHD-MRXNPFEDSA-N 2 1 271.364 2.355 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CCF)CC[N@@H+]1Cc1ccccc1 ZINC000652019850 401434683 /nfs/dbraw/zinc/43/46/83/401434683.db2.gz DJAIIQABGGYODA-HYVNUMGLSA-N 2 1 294.414 2.350 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CCF)CC[N@H+]1Cc1ccccc1 ZINC000652019850 401434684 /nfs/dbraw/zinc/43/46/84/401434684.db2.gz DJAIIQABGGYODA-HYVNUMGLSA-N 2 1 294.414 2.350 20 0 CEADMP CC[N@@H+](CCCNC(=O)N[C@@H](C)[C@H](C)[NH3+])C1CCCCC1 ZINC000652220662 401466167 /nfs/dbraw/zinc/46/61/67/401466167.db2.gz GNOJZAMONIKZPR-KBPBESRZSA-N 2 1 298.475 2.066 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000158241718 289230457 /nfs/dbraw/zinc/23/04/57/289230457.db2.gz KTENCPRTBNMCMY-KBPBESRZSA-N 2 1 264.417 2.456 20 0 CEADMP c1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nn2c1CCC2 ZINC000652341040 401491059 /nfs/dbraw/zinc/49/10/59/401491059.db2.gz YEEGNFWKMIZEIJ-GJZGRUSLSA-N 2 1 288.439 2.041 20 0 CEADMP C[C@]1(c2cccc(F)c2)CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000652350308 401491267 /nfs/dbraw/zinc/49/12/67/401491267.db2.gz RJZLNFIXSVIYCT-BBRMVZONSA-N 2 1 262.372 2.399 20 0 CEADMP C[NH2+]CCC[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000652350097 401491819 /nfs/dbraw/zinc/49/18/19/401491819.db2.gz FVRLBUPCVHTXGZ-OAHLLOKOSA-N 2 1 250.361 2.399 20 0 CEADMP C[NH2+]CCC[N@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000652350097 401491820 /nfs/dbraw/zinc/49/18/20/401491820.db2.gz FVRLBUPCVHTXGZ-OAHLLOKOSA-N 2 1 250.361 2.399 20 0 CEADMP C[C@H]1C[N@@H+](CCOCC[NH3+])CCc2ccc(Cl)cc21 ZINC000652353567 401492482 /nfs/dbraw/zinc/49/24/82/401492482.db2.gz QWUUUPWTYYEFBN-LBPRGKRZSA-N 2 1 282.815 2.277 20 0 CEADMP COc1ccc(C[C@H]2CCCC[N@H+]2CCOCC[NH3+])cc1 ZINC000652358643 401494385 /nfs/dbraw/zinc/49/43/85/401494385.db2.gz ZIHNSZNEWBAKEX-MRXNPFEDSA-N 2 1 292.423 2.068 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN[C@H](C)c1cc(C)sc1C ZINC000310779606 289278991 /nfs/dbraw/zinc/27/89/91/289278991.db2.gz RGSNNTXWPHLKFR-DGCLKSJQSA-N 2 1 270.442 2.328 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360542655 155324739 /nfs/dbraw/zinc/32/47/39/155324739.db2.gz DFRBQPYXTWZJGI-KRWDZBQOSA-N 2 1 274.408 2.313 20 0 CEADMP Cc1cc([C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)[nH]n1 ZINC000360605458 155334249 /nfs/dbraw/zinc/33/42/49/155334249.db2.gz WSMHUVDQYIHZSF-LSDHHAIUSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)[nH]n1 ZINC000360605458 155334250 /nfs/dbraw/zinc/33/42/50/155334250.db2.gz WSMHUVDQYIHZSF-LSDHHAIUSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)[nH]n1 ZINC000360605458 155334251 /nfs/dbraw/zinc/33/42/51/155334251.db2.gz WSMHUVDQYIHZSF-LSDHHAIUSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n[nH]1 ZINC000360605458 155334253 /nfs/dbraw/zinc/33/42/53/155334253.db2.gz WSMHUVDQYIHZSF-LSDHHAIUSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)n[nH]1 ZINC000360605458 155334254 /nfs/dbraw/zinc/33/42/54/155334254.db2.gz WSMHUVDQYIHZSF-LSDHHAIUSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n[nH]1 ZINC000360605458 155334256 /nfs/dbraw/zinc/33/42/56/155334256.db2.gz WSMHUVDQYIHZSF-LSDHHAIUSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n[nH]1 ZINC000360605458 155334257 /nfs/dbraw/zinc/33/42/57/155334257.db2.gz WSMHUVDQYIHZSF-LSDHHAIUSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@@H]2CCC[N@@H+](CCCn3ccnc3C)C2)[nH]n1 ZINC000360603758 155334503 /nfs/dbraw/zinc/33/45/03/155334503.db2.gz DNNMQOXXTNUALD-OAHLLOKOSA-N 2 1 287.411 2.493 20 0 CEADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192934624 153223268 /nfs/dbraw/zinc/22/32/68/153223268.db2.gz PATLWRJZMUFQPX-BHYGNILZSA-N 2 1 274.408 2.276 20 0 CEADMP C[NH+](C)CC1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1 ZINC000193287497 153232211 /nfs/dbraw/zinc/23/22/11/153232211.db2.gz NWJAZIPXTUDINQ-MQVJKMGUSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+](C)CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCC1 ZINC000193287497 153232212 /nfs/dbraw/zinc/23/22/12/153232212.db2.gz NWJAZIPXTUDINQ-MQVJKMGUSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+](C)CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1 ZINC000193287497 153232214 /nfs/dbraw/zinc/23/22/14/153232214.db2.gz NWJAZIPXTUDINQ-MQVJKMGUSA-N 3 1 279.472 2.323 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCC4)C[C@@H]2C1 ZINC000193596394 153237655 /nfs/dbraw/zinc/23/76/55/153237655.db2.gz MJGYXIFDQXJHKR-CALCHBBNSA-N 2 1 256.393 2.169 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)C[C@@H]2C1 ZINC000193596394 153237657 /nfs/dbraw/zinc/23/76/57/153237657.db2.gz MJGYXIFDQXJHKR-CALCHBBNSA-N 2 1 256.393 2.169 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@@H]2C1 ZINC000193596394 153237660 /nfs/dbraw/zinc/23/76/60/153237660.db2.gz MJGYXIFDQXJHKR-CALCHBBNSA-N 2 1 256.393 2.169 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221828238 153312261 /nfs/dbraw/zinc/31/22/61/153312261.db2.gz DKGLHNLLCRTLLC-ZFWWWQNUSA-N 3 1 286.423 2.417 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000221828238 153312268 /nfs/dbraw/zinc/31/22/68/153312268.db2.gz DKGLHNLLCRTLLC-ZFWWWQNUSA-N 3 1 286.423 2.417 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1F ZINC000222074236 153313079 /nfs/dbraw/zinc/31/30/79/153313079.db2.gz XKCRWQXSGAGXPX-SMDDNHRTSA-N 2 1 266.360 2.264 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1F ZINC000222074236 153313083 /nfs/dbraw/zinc/31/30/83/153313083.db2.gz XKCRWQXSGAGXPX-SMDDNHRTSA-N 2 1 266.360 2.264 20 0 CEADMP CCN(C)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000261803542 153842935 /nfs/dbraw/zinc/84/29/35/153842935.db2.gz HBTJVCFSTLFCOT-XYPWUTKMSA-N 2 1 288.439 2.253 20 0 CEADMP CCN(C)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000261803542 153842938 /nfs/dbraw/zinc/84/29/38/153842938.db2.gz HBTJVCFSTLFCOT-XYPWUTKMSA-N 2 1 288.439 2.253 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263121156 154022372 /nfs/dbraw/zinc/02/23/72/154022372.db2.gz AWOZIKDAEBZPTR-BFYDXBDKSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000346695145 154291443 /nfs/dbraw/zinc/29/14/43/154291443.db2.gz YNMZVLWRYSFYLN-UKRRQHHQSA-N 2 1 270.380 2.041 20 0 CEADMP CC(C)(C)n1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000346814823 154295370 /nfs/dbraw/zinc/29/53/70/154295370.db2.gz CQKMQMZFWFKTOX-KKUMJFAQSA-N 2 1 276.428 2.197 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC=CCC2)s1 ZINC000352752108 154332369 /nfs/dbraw/zinc/33/23/69/154332369.db2.gz XLJBBDNXYZKZPO-LLVKDONJSA-N 2 1 251.399 2.403 20 0 CEADMP C[N@@H+](CCCCC(F)(F)F)CCCN1CC[NH+](C)CC1 ZINC000352779446 154337317 /nfs/dbraw/zinc/33/73/17/154337317.db2.gz OTZMWZLONDFAGP-UHFFFAOYSA-N 2 1 295.393 2.288 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@@H+]1C ZINC000352786686 154339735 /nfs/dbraw/zinc/33/97/35/154339735.db2.gz AIGJBDPJCDLSGJ-FEPKRQSRSA-N 2 1 254.418 2.405 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@H+]1C ZINC000352786686 154339739 /nfs/dbraw/zinc/33/97/39/154339739.db2.gz AIGJBDPJCDLSGJ-FEPKRQSRSA-N 2 1 254.418 2.405 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357078640 154370935 /nfs/dbraw/zinc/37/09/35/154370935.db2.gz RNMKCRACYFGWGJ-HZPDHXFCSA-N 2 1 274.408 2.224 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357078640 154370938 /nfs/dbraw/zinc/37/09/38/154370938.db2.gz RNMKCRACYFGWGJ-HZPDHXFCSA-N 2 1 274.408 2.224 20 0 CEADMP C[C@H]1C[C@@H](C(=O)N(C)CC[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000358694294 154732115 /nfs/dbraw/zinc/73/21/15/154732115.db2.gz RHHCZYNVIFIPCI-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCSc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000359472916 155028504 /nfs/dbraw/zinc/02/85/04/155028504.db2.gz MYVZDDYOKKJWIH-ZIAGYGMSSA-N 2 1 262.422 2.450 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000359622116 155081095 /nfs/dbraw/zinc/08/10/95/155081095.db2.gz WWESVZIAVKVXTP-HUUCEWRRSA-N 2 1 286.423 2.356 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCC(C)C)C2)CC1 ZINC000363869451 156047431 /nfs/dbraw/zinc/04/74/31/156047431.db2.gz YYYWFRUPDXRBTD-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP C([C@@H]1CCSC1)[N@@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@@H]2C1 ZINC000365880976 156073650 /nfs/dbraw/zinc/07/36/50/156073650.db2.gz YTUPLLAXCSOQML-ZQDZILKHSA-N 2 1 266.454 2.156 20 0 CEADMP C([C@@H]1CCSC1)[NH+]1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@@H]2C1 ZINC000365880976 156073655 /nfs/dbraw/zinc/07/36/55/156073655.db2.gz YTUPLLAXCSOQML-ZQDZILKHSA-N 2 1 266.454 2.156 20 0 CEADMP C([C@@H]1CCSC1)[NH+]1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@@H]2C1 ZINC000365880976 156073662 /nfs/dbraw/zinc/07/36/62/156073662.db2.gz YTUPLLAXCSOQML-ZQDZILKHSA-N 2 1 266.454 2.156 20 0 CEADMP Cc1cncc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000366776011 156081161 /nfs/dbraw/zinc/08/11/61/156081161.db2.gz XLHUTSOQXQJACL-YESZJQIVSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cncc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000366776011 156081166 /nfs/dbraw/zinc/08/11/66/156081166.db2.gz XLHUTSOQXQJACL-YESZJQIVSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000366964394 156108028 /nfs/dbraw/zinc/10/80/28/156108028.db2.gz ZXMKYVQDLCXFOV-CABCVRRESA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000366964394 156108029 /nfs/dbraw/zinc/10/80/29/156108029.db2.gz ZXMKYVQDLCXFOV-CABCVRRESA-N 2 1 263.385 2.083 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCCCF)C2)CC1 ZINC000366951442 156108393 /nfs/dbraw/zinc/10/83/93/156108393.db2.gz KYBUVYJUQFRJBX-MRXNPFEDSA-N 2 1 285.451 2.227 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccn1 ZINC000367539195 156201628 /nfs/dbraw/zinc/20/16/28/156201628.db2.gz XLUIDCDOULNNKH-KFWWJZLASA-N 2 1 275.396 2.053 20 0 CEADMP C[NH+](C)CC(C)(C)CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367601258 156215616 /nfs/dbraw/zinc/21/56/16/156215616.db2.gz NFGXPDDDZPHGGX-RBSFLKMASA-N 2 1 267.461 2.037 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367601258 156215617 /nfs/dbraw/zinc/21/56/17/156215617.db2.gz NFGXPDDDZPHGGX-RBSFLKMASA-N 3 1 267.461 2.037 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367601258 156215619 /nfs/dbraw/zinc/21/56/19/156215619.db2.gz NFGXPDDDZPHGGX-RBSFLKMASA-N 3 1 267.461 2.037 20 0 CEADMP COc1ccc(F)cc1C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000368272183 156315987 /nfs/dbraw/zinc/31/59/87/156315987.db2.gz FTNIRMCJFDNDCS-GFCCVEGCSA-N 2 1 275.327 2.205 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000372931875 156805956 /nfs/dbraw/zinc/80/59/56/156805956.db2.gz XAIOGGMKKBTAQC-HZPDHXFCSA-N 2 1 295.471 2.147 20 0 CEADMP CCn1cc(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000375700153 157128777 /nfs/dbraw/zinc/12/87/77/157128777.db2.gz DFPWEEYNZICUMA-QGZVFWFLSA-N 2 1 290.455 2.396 20 0 CEADMP CCn1cc(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000375700153 157128779 /nfs/dbraw/zinc/12/87/79/157128779.db2.gz DFPWEEYNZICUMA-QGZVFWFLSA-N 2 1 290.455 2.396 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000168657016 162369474 /nfs/dbraw/zinc/36/94/74/162369474.db2.gz KQLNLSPBFICDSN-NWDGAFQWSA-N 2 1 295.814 2.338 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCCn2cccn2)C1 ZINC000173913369 165087898 /nfs/dbraw/zinc/08/78/98/165087898.db2.gz OFMRRGHIBKZNPW-MRXNPFEDSA-N 2 1 278.444 2.327 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCCCn2cccn2)C1 ZINC000173913369 165087902 /nfs/dbraw/zinc/08/79/02/165087902.db2.gz OFMRRGHIBKZNPW-MRXNPFEDSA-N 2 1 278.444 2.327 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCCCn2cccn2)C1 ZINC000173913369 165087905 /nfs/dbraw/zinc/08/79/05/165087905.db2.gz OFMRRGHIBKZNPW-MRXNPFEDSA-N 2 1 278.444 2.327 20 0 CEADMP C([C@H]1CCCO1)[N@@H+](CC1CC[NH2+]CC1)C1CCCC1 ZINC000178975291 165266889 /nfs/dbraw/zinc/26/68/89/165266889.db2.gz NVAKLFQEUHSDHF-MRXNPFEDSA-N 2 1 266.429 2.410 20 0 CEADMP c1ccc(N[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000178982637 165268150 /nfs/dbraw/zinc/26/81/50/165268150.db2.gz GEEIHZYBTHXGLO-MRXNPFEDSA-N 2 1 259.397 2.172 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000284207875 196003398 /nfs/dbraw/zinc/00/33/98/196003398.db2.gz AGEMQZIBVWNOOS-GDBMZVCRSA-N 2 1 262.397 2.258 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000020128872 171015984 /nfs/dbraw/zinc/01/59/84/171015984.db2.gz HAKMOKHXWPJBAR-UHFFFAOYSA-N 2 1 264.417 2.003 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000020145278 171030183 /nfs/dbraw/zinc/03/01/83/171030183.db2.gz KOQVIINPJSYFJE-UHFFFAOYSA-N 2 1 270.323 2.472 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000165112313 287266681 /nfs/dbraw/zinc/26/66/81/287266681.db2.gz FOSQBEHXHDQQRW-ZIAGYGMSSA-N 2 1 283.460 2.131 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000345821561 287268179 /nfs/dbraw/zinc/26/81/79/287268179.db2.gz TVEOZSDSRYAWKU-INMHGKMJSA-N 2 1 295.471 2.275 20 0 CEADMP C[N@@H+](CCOc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746908 174392094 /nfs/dbraw/zinc/39/20/94/174392094.db2.gz FUVUIRCRWVJQNX-YIONKMFJSA-N 2 1 278.371 2.419 20 0 CEADMP CCCCN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401028029 414750373 /nfs/dbraw/zinc/75/03/73/414750373.db2.gz OLBFJGVQFDWMIS-ZMSDIMECSA-N 2 1 279.472 2.229 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662834395 414765566 /nfs/dbraw/zinc/76/55/66/414765566.db2.gz GLKWRZRWBLGTGH-KFWWJZLASA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C(C)C)CC1 ZINC000660326752 414772851 /nfs/dbraw/zinc/77/28/51/414772851.db2.gz ARBJXMBSHDXRMX-OAHLLOKOSA-N 2 1 270.461 2.446 20 0 CEADMP CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCC[NH2+]1 ZINC000662878115 414784729 /nfs/dbraw/zinc/78/47/29/414784729.db2.gz NUQYTSXSEMTTCR-RHSMWYFYSA-N 2 1 293.455 2.042 20 0 CEADMP CCO[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000405474002 414793553 /nfs/dbraw/zinc/79/35/53/414793553.db2.gz VPTIIPVZGKOSMD-IUODEOHRSA-N 2 1 298.814 2.014 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000657175073 414796070 /nfs/dbraw/zinc/79/60/70/414796070.db2.gz XSOTWNINSHGAGD-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000126298029 414800580 /nfs/dbraw/zinc/80/05/80/414800580.db2.gz OVZPYCITOKFUPO-CVEARBPZSA-N 2 1 296.361 2.479 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCO1 ZINC000420917473 414808252 /nfs/dbraw/zinc/80/82/52/414808252.db2.gz RVOZRRUHOZTLKC-BZUAXINKSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CCOC(C)(C)C2)CCCC1 ZINC000132047013 414820681 /nfs/dbraw/zinc/82/06/81/414820681.db2.gz ATTFJRLDLAMBQM-CYBMUJFWSA-N 2 1 254.418 2.408 20 0 CEADMP COC[C@H](C)Oc1ccc(CNCC[NH+]2CCCC2)cc1 ZINC000657292761 414835740 /nfs/dbraw/zinc/83/57/40/414835740.db2.gz RWJBGTZTLDRSJI-HNNXBMFYSA-N 2 1 292.423 2.286 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNCc1cnc2n1CCC2 ZINC000657292980 414835757 /nfs/dbraw/zinc/83/57/57/414835757.db2.gz HJPHUFWOSGKIRW-AWEZNQCLSA-N 2 1 276.428 2.183 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnc2n1CCC2 ZINC000657292980 414835762 /nfs/dbraw/zinc/83/57/62/414835762.db2.gz HJPHUFWOSGKIRW-AWEZNQCLSA-N 2 1 276.428 2.183 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnc2n1CCC2 ZINC000657292980 414835766 /nfs/dbraw/zinc/83/57/66/414835766.db2.gz HJPHUFWOSGKIRW-AWEZNQCLSA-N 2 1 276.428 2.183 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+]C1CCN(C2CC2)CC1 ZINC000657295223 414839321 /nfs/dbraw/zinc/83/93/21/414839321.db2.gz LHMOZMMZSGMSNW-UHFFFAOYSA-N 2 1 288.439 2.404 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CO1 ZINC000657334096 414866953 /nfs/dbraw/zinc/86/69/53/414866953.db2.gz MAXPFRFRWFVWBP-HIFRSBDPSA-N 2 1 252.402 2.160 20 0 CEADMP Cc1c[nH]c(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000657311896 414853207 /nfs/dbraw/zinc/85/32/07/414853207.db2.gz YQLOIQPDFMWVIC-CQSZACIVSA-N 2 1 264.417 2.462 20 0 CEADMP C[C@@H](C(=O)N(C)CC[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000652989181 414861917 /nfs/dbraw/zinc/86/19/17/414861917.db2.gz ZZEMVOZNOFCABX-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+]Cc2ccnn2-c2cc[nH+]cc2)n[nH]1 ZINC000657398887 414912661 /nfs/dbraw/zinc/91/26/61/414912661.db2.gz FAOJBENVJLSFRO-LBPRGKRZSA-N 2 1 296.378 2.020 20 0 CEADMP CC(C)c1cccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c1 ZINC000663320188 414912659 /nfs/dbraw/zinc/91/26/59/414912659.db2.gz STAKOWIJVTVIQD-INIZCTEOSA-N 2 1 264.413 2.212 20 0 CEADMP Cc1ccccc1CC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660647133 414913137 /nfs/dbraw/zinc/91/31/37/414913137.db2.gz CFXHXMPTGGRUJL-QGZVFWFLSA-N 2 1 278.440 2.170 20 0 CEADMP Cc1ccccc1CC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660647133 414913141 /nfs/dbraw/zinc/91/31/41/414913141.db2.gz CFXHXMPTGGRUJL-QGZVFWFLSA-N 2 1 278.440 2.170 20 0 CEADMP Cc1ccccc1CC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000660647133 414913143 /nfs/dbraw/zinc/91/31/43/414913143.db2.gz CFXHXMPTGGRUJL-QGZVFWFLSA-N 2 1 278.440 2.170 20 0 CEADMP Cc1ccccc1CC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000660647133 414913147 /nfs/dbraw/zinc/91/31/47/414913147.db2.gz CFXHXMPTGGRUJL-QGZVFWFLSA-N 2 1 278.440 2.170 20 0 CEADMP CCc1noc(C)c1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660658960 414919993 /nfs/dbraw/zinc/91/99/93/414919993.db2.gz KVYFLLRWYSGLSN-INIZCTEOSA-N 2 1 277.412 2.463 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCCN(CCc1ccccn1)C2 ZINC000660657110 414920502 /nfs/dbraw/zinc/92/05/02/414920502.db2.gz VMDKTQURQFLCBM-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1ccccn1)C2 ZINC000660657110 414920503 /nfs/dbraw/zinc/92/05/03/414920503.db2.gz VMDKTQURQFLCBM-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1ccccn1)C2 ZINC000660657110 414920505 /nfs/dbraw/zinc/92/05/05/414920505.db2.gz VMDKTQURQFLCBM-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP CCc1nocc1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660663423 414922256 /nfs/dbraw/zinc/92/22/56/414922256.db2.gz NZCZMJAOLVZWOM-HNNXBMFYSA-N 2 1 263.385 2.155 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC[C@@H]1CCOC1)C2 ZINC000660664162 414925531 /nfs/dbraw/zinc/92/55/31/414925531.db2.gz QGPXWFDWVTUZFQ-HZPDHXFCSA-N 2 1 266.429 2.221 20 0 CEADMP COC[C@@H](C)Oc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000657423535 414926527 /nfs/dbraw/zinc/92/65/27/414926527.db2.gz JWTPHXUCPHAHLM-OAHLLOKOSA-N 2 1 292.423 2.286 20 0 CEADMP COc1ccncc1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665891 414927144 /nfs/dbraw/zinc/92/71/44/414927144.db2.gz YWJGRYHIXUFGCN-INIZCTEOSA-N 2 1 275.396 2.008 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC1CCOCC1)C2 ZINC000660665052 414928513 /nfs/dbraw/zinc/92/85/13/414928513.db2.gz SZTRFIUGOMSYNV-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP CO[C@H](C)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675052 414930584 /nfs/dbraw/zinc/93/05/84/414930584.db2.gz FWIFMRFTYJONFD-CQSZACIVSA-N 2 1 262.397 2.276 20 0 CEADMP OCCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674319 414930699 /nfs/dbraw/zinc/93/06/99/414930699.db2.gz ACPJXRHXKVSNKB-UHFFFAOYSA-N 2 1 262.397 2.013 20 0 CEADMP CO[C@H](C[NH+]1CCC(CO)([NH2+]C(C)C)CC1)C1CCCC1 ZINC000660676882 414930874 /nfs/dbraw/zinc/93/08/74/414930874.db2.gz NGUNCMJBGNRCKB-MRXNPFEDSA-N 2 1 298.471 2.017 20 0 CEADMP O=C(Nc1ccccc1)C1([NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657440963 414938193 /nfs/dbraw/zinc/93/81/93/414938193.db2.gz LDVJZJPUSNWYSO-UHFFFAOYSA-N 2 1 296.374 2.090 20 0 CEADMP CC[NH+](CC)CC1CCN(c2cc(CO)cc(C)[nH+]2)CC1 ZINC000663395917 414940415 /nfs/dbraw/zinc/94/04/15/414940415.db2.gz CBKKFUHKCPMRII-UHFFFAOYSA-N 2 1 291.439 2.441 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657337377 414868515 /nfs/dbraw/zinc/86/85/15/414868515.db2.gz SKPOFEIHMDZDJR-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657337377 414868519 /nfs/dbraw/zinc/86/85/19/414868519.db2.gz SKPOFEIHMDZDJR-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000663498395 414972308 /nfs/dbraw/zinc/97/23/08/414972308.db2.gz BMIZXQIVEWAFND-OLZOCXBDSA-N 2 1 283.441 2.458 20 0 CEADMP COc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c(F)c1 ZINC000663504154 414975490 /nfs/dbraw/zinc/97/54/90/414975490.db2.gz VFLOJZOKZNIOTR-CQSZACIVSA-N 2 1 254.349 2.297 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccn1 ZINC000657535277 414990375 /nfs/dbraw/zinc/99/03/75/414990375.db2.gz LIQCIBVQYIAVHK-ILXRZTDVSA-N 2 1 259.397 2.402 20 0 CEADMP C[C@H]1CCN(CC(=O)Nc2ccc(-c3ncc[nH]3)cc2)C1 ZINC000654663403 414997875 /nfs/dbraw/zinc/99/78/75/414997875.db2.gz DPMREQVCRQYAKT-LBPRGKRZSA-N 2 1 284.363 2.357 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@H]1C[C@H]1C ZINC000657596050 415018698 /nfs/dbraw/zinc/01/86/98/415018698.db2.gz LCMCUYHVGXNNCP-KNCCTNLNSA-N 2 1 288.435 2.387 20 0 CEADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471796 414964682 /nfs/dbraw/zinc/96/46/82/414964682.db2.gz YHXIXEHATXMDEH-GZBFAFLISA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)n1ccnc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000657487031 414966701 /nfs/dbraw/zinc/96/67/01/414966701.db2.gz GIVNXXWSYAMWEB-UHFFFAOYSA-N 2 1 264.417 2.428 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000653612581 415052332 /nfs/dbraw/zinc/05/23/32/415052332.db2.gz XLZOQOLYDMZIJZ-INIZCTEOSA-N 2 1 284.407 2.312 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000653612581 415052342 /nfs/dbraw/zinc/05/23/42/415052342.db2.gz XLZOQOLYDMZIJZ-INIZCTEOSA-N 2 1 284.407 2.312 20 0 CEADMP CN(C[C@H]1CCc2[nH+]ccn2C1)c1[nH+]ccc2[nH]ccc21 ZINC000663826384 415060474 /nfs/dbraw/zinc/06/04/74/415060474.db2.gz QTRMOWCHKXKXTG-GFCCVEGCSA-N 2 1 281.363 2.458 20 0 CEADMP CCC[N@H+]1CC[C@@H](NCc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000657741858 415067299 /nfs/dbraw/zinc/06/72/99/415067299.db2.gz JQYUZQDUCGGECT-MRXNPFEDSA-N 2 1 299.422 2.150 20 0 CEADMP CCCN1CC[C@@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000657741858 415067303 /nfs/dbraw/zinc/06/73/03/415067303.db2.gz JQYUZQDUCGGECT-MRXNPFEDSA-N 2 1 299.422 2.150 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC2(CCOCC2)CC1 ZINC000653665149 415069532 /nfs/dbraw/zinc/06/95/32/415069532.db2.gz VTHRJYAWFJBOTM-UHFFFAOYSA-N 2 1 277.412 2.245 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@H](CO)Cc1ccccc1 ZINC000661091812 415090929 /nfs/dbraw/zinc/09/09/29/415090929.db2.gz PKUOXSXLZCNTBU-SFHVURJKSA-N 2 1 290.451 2.398 20 0 CEADMP C[N@H+]1CCC[C@@]2(CCN(c3[nH+]ccc4[nH]ccc43)C2)C1 ZINC000663938529 415095106 /nfs/dbraw/zinc/09/51/06/415095106.db2.gz DKUDNPYZNWNQDS-MRXNPFEDSA-N 2 1 270.380 2.485 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000653587808 415044663 /nfs/dbraw/zinc/04/46/63/415044663.db2.gz TYLDQTSKTVCSQL-OAHLLOKOSA-N 2 1 287.411 2.096 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000653587808 415044669 /nfs/dbraw/zinc/04/46/69/415044669.db2.gz TYLDQTSKTVCSQL-OAHLLOKOSA-N 2 1 287.411 2.096 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](COC)CC2CCOCC2)C1 ZINC000657861729 415106866 /nfs/dbraw/zinc/10/68/66/415106866.db2.gz KULVIJBQQLTWMI-DLBZAZTESA-N 2 1 298.471 2.140 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657873006 415111114 /nfs/dbraw/zinc/11/11/14/415111114.db2.gz QSAZXGMKZJTNJH-IXDOHACOSA-N 2 1 293.499 2.428 20 0 CEADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C(C)(C)C(F)F ZINC000657874036 415111182 /nfs/dbraw/zinc/11/11/82/415111182.db2.gz XVABLJJNVGLDBZ-ZDUSSCGKSA-N 2 1 291.430 2.283 20 0 CEADMP Cc1cc(N2CCC([N@H+]3CCCOCC3)CC2)cc[nH+]1 ZINC000664011790 415122848 /nfs/dbraw/zinc/12/28/48/415122848.db2.gz SLBIMGQHTZCDHX-UHFFFAOYSA-N 2 1 275.396 2.081 20 0 CEADMP COC1([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)CCC1 ZINC000658030507 415164221 /nfs/dbraw/zinc/16/42/21/415164221.db2.gz DACGNXCHDZYGNY-CYBMUJFWSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC(CF)(CF)C2)CCCO1 ZINC000657992244 415146557 /nfs/dbraw/zinc/14/65/57/415146557.db2.gz FEDKKSDMIOOTKH-ZDUSSCGKSA-N 2 1 290.398 2.165 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC(CF)(CF)C2)CCCO1 ZINC000657992244 415146561 /nfs/dbraw/zinc/14/65/61/415146561.db2.gz FEDKKSDMIOOTKH-ZDUSSCGKSA-N 2 1 290.398 2.165 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cnn(C)c1 ZINC000044495347 175182677 /nfs/dbraw/zinc/18/26/77/175182677.db2.gz AHFNNWWJGVJVPF-CQSZACIVSA-N 2 1 264.417 2.193 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCc2noc3ccccc32)CC[N@H+]1C ZINC000658065019 415189251 /nfs/dbraw/zinc/18/92/51/415189251.db2.gz KYDUVBWHUMOMIV-CHWSQXEVSA-N 2 1 273.380 2.443 20 0 CEADMP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000658086719 415198487 /nfs/dbraw/zinc/19/84/87/415198487.db2.gz FDHACORSYVMYIA-GOSISDBHSA-N 2 1 288.435 2.402 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000658160272 415237416 /nfs/dbraw/zinc/23/74/16/415237416.db2.gz FAWSFFIYUIECLW-LXFSFDBISA-N 2 1 252.402 2.016 20 0 CEADMP COCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229215 415265155 /nfs/dbraw/zinc/26/51/55/415265155.db2.gz PMEORWCTJJCCGC-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP COCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229215 415265158 /nfs/dbraw/zinc/26/51/58/415265158.db2.gz PMEORWCTJJCCGC-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@@H](C)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658123768 415222387 /nfs/dbraw/zinc/22/23/87/415222387.db2.gz LWSLEIRIZMQGRU-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C2CCC2)CC1 ZINC000661373703 415228958 /nfs/dbraw/zinc/22/89/58/415228958.db2.gz DURZYZSXXDNYET-MRXNPFEDSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C2CCC2)CC1 ZINC000661373703 415228962 /nfs/dbraw/zinc/22/89/62/415228962.db2.gz DURZYZSXXDNYET-MRXNPFEDSA-N 2 1 268.445 2.200 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@H](O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658348212 415329276 /nfs/dbraw/zinc/32/92/76/415329276.db2.gz NASJJVRGNDRAKN-XLNGHYISSA-N 2 1 274.408 2.010 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CC[N@H+]1C ZINC000658353076 415331793 /nfs/dbraw/zinc/33/17/93/415331793.db2.gz BPOOYCLNOUBVFT-RHSMWYFYSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCN1C ZINC000658353076 415331800 /nfs/dbraw/zinc/33/18/00/415331800.db2.gz BPOOYCLNOUBVFT-RHSMWYFYSA-N 2 1 279.472 2.181 20 0 CEADMP C(COC1CCCCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655702348 415398597 /nfs/dbraw/zinc/39/85/97/415398597.db2.gz UMUFVCSLGWHCFN-MRXNPFEDSA-N 2 1 296.455 2.179 20 0 CEADMP CC(C)(C)C[C@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655728488 415414933 /nfs/dbraw/zinc/41/49/33/415414933.db2.gz VLTMVGXVMGQDMP-HOTGVXAUSA-N 2 1 298.471 2.017 20 0 CEADMP C(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)CC1CC1 ZINC000655730436 415419156 /nfs/dbraw/zinc/41/91/56/415419156.db2.gz SJIPWKBUSXNAGY-HNNXBMFYSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661624181 415365352 /nfs/dbraw/zinc/36/53/52/415365352.db2.gz DWCWUSJTGAKOQM-MRXNPFEDSA-N 2 1 277.412 2.209 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661624181 415365358 /nfs/dbraw/zinc/36/53/58/415365358.db2.gz DWCWUSJTGAKOQM-MRXNPFEDSA-N 2 1 277.412 2.209 20 0 CEADMP CCCCOCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655680502 415382171 /nfs/dbraw/zinc/38/21/71/415382171.db2.gz NDCKMVTUHZKURW-INIZCTEOSA-N 2 1 284.444 2.036 20 0 CEADMP C[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655762184 415441111 /nfs/dbraw/zinc/44/11/11/415441111.db2.gz BVEBJGWYTHCOJD-IIAWOOMASA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CS1 ZINC000655758617 415442140 /nfs/dbraw/zinc/44/21/40/415442140.db2.gz BQLLJEKHEMFAQB-RBSFLKMASA-N 2 1 286.485 2.361 20 0 CEADMP FC1(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000655768631 415446796 /nfs/dbraw/zinc/44/67/96/415446796.db2.gz KPQXERSBGGKLRV-CQSZACIVSA-N 2 1 270.392 2.112 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655774740 415454682 /nfs/dbraw/zinc/45/46/82/415454682.db2.gz FVZKGPKULHMXSA-ZACQAIPSSA-N 2 1 296.455 2.175 20 0 CEADMP COCC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000655774515 415454774 /nfs/dbraw/zinc/45/47/74/415454774.db2.gz VLYCQHYCVMMOKW-INIZCTEOSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC(F)F ZINC000655779397 415458322 /nfs/dbraw/zinc/45/83/22/415458322.db2.gz KHYLHNCESNTDQE-DGCLKSJQSA-N 2 1 276.371 2.121 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)CC(F)F ZINC000655779396 415459375 /nfs/dbraw/zinc/45/93/75/415459375.db2.gz KHYLHNCESNTDQE-AAEUAGOBSA-N 2 1 276.371 2.121 20 0 CEADMP COC1([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000655776749 415459675 /nfs/dbraw/zinc/45/96/75/415459675.db2.gz OLQQQQKMAQBJLA-ZBFHGGJFSA-N 2 1 296.455 2.177 20 0 CEADMP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655848893 415517387 /nfs/dbraw/zinc/51/73/87/415517387.db2.gz LBJNMBUAUOOTOA-QZTJIDSGSA-N 2 1 291.483 2.467 20 0 CEADMP C[C@H]1C[N@@H+](CCc2noc3ccccc32)CC[C@@H]1[NH3+] ZINC000655938558 415560639 /nfs/dbraw/zinc/56/06/39/415560639.db2.gz XXTAYBZKRAIGCR-AAEUAGOBSA-N 2 1 259.353 2.039 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665236356 415638267 /nfs/dbraw/zinc/63/82/67/415638267.db2.gz LIDWLNWVPRDZEE-USXIJHARSA-N 2 1 289.467 2.407 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665236883 415639299 /nfs/dbraw/zinc/63/92/99/415639299.db2.gz WAJQBJZQKLPCDI-UKRRQHHQSA-N 2 1 290.455 2.372 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000665236883 415639303 /nfs/dbraw/zinc/63/93/03/415639303.db2.gz WAJQBJZQKLPCDI-UKRRQHHQSA-N 2 1 290.455 2.372 20 0 CEADMP C[C@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000665251648 415649902 /nfs/dbraw/zinc/64/99/02/415649902.db2.gz VIVWLRLFMVOFLE-RGIVZKHGSA-N 2 1 299.462 2.347 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258469 415654118 /nfs/dbraw/zinc/65/41/18/415654118.db2.gz ACCGBSYAHZXRFN-BASLNEPJSA-N 2 1 292.398 2.286 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@@]1(C)CO ZINC000662148828 415658047 /nfs/dbraw/zinc/65/80/47/415658047.db2.gz LIFSIMXIIMTRFZ-PBHICJAKSA-N 2 1 285.391 2.323 20 0 CEADMP CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(F)c1 ZINC000665292847 415681089 /nfs/dbraw/zinc/68/10/89/415681089.db2.gz KOLFAYUTDNVFFS-ZDUSSCGKSA-N 2 1 290.342 2.021 20 0 CEADMP C[NH2+]C[C@H](C)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665297319 415686428 /nfs/dbraw/zinc/68/64/28/415686428.db2.gz DCUZIENLAQAZQB-ZMSDIMECSA-N 2 1 275.440 2.095 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn3ccccc23)C1 ZINC000071373195 176138806 /nfs/dbraw/zinc/13/88/06/176138806.db2.gz KSLWDVGCHXGRIN-AWEZNQCLSA-N 2 1 272.396 2.154 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnn3ccccc23)C1 ZINC000071373195 176138808 /nfs/dbraw/zinc/13/88/08/176138808.db2.gz KSLWDVGCHXGRIN-AWEZNQCLSA-N 2 1 272.396 2.154 20 0 CEADMP C[C@]1(c2ccccc2)CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258747 415729471 /nfs/dbraw/zinc/72/94/71/415729471.db2.gz ZOYPLDXIGULLGJ-IRXDYDNUSA-N 2 1 286.419 2.171 20 0 CEADMP COc1cccc(SCC[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000662266853 415733609 /nfs/dbraw/zinc/73/36/09/415733609.db2.gz PNPYEPCODAWKDY-STQMWFEESA-N 2 1 280.437 2.456 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)C1CCCCC1 ZINC000662242612 415705448 /nfs/dbraw/zinc/70/54/48/415705448.db2.gz CTXSXIFVNXTWEN-AEGPPILISA-N 2 1 254.418 2.251 20 0 CEADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCCC1(C)C ZINC000662247188 415707439 /nfs/dbraw/zinc/70/74/39/415707439.db2.gz VDCHSSNEQVNWDT-HNNXBMFYSA-N 2 1 267.461 2.040 20 0 CEADMP CO[C@@H](C[N@@H+](C)CC[C@H]([NH3+])C(C)C)C1CCCC1 ZINC000662247786 415712130 /nfs/dbraw/zinc/71/21/30/415712130.db2.gz KXZMTNFOGANEEQ-GJZGRUSLSA-N 2 1 256.434 2.497 20 0 CEADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000662253178 415715461 /nfs/dbraw/zinc/71/54/61/415715461.db2.gz SIJCZFMUUHZHDF-HUUCEWRRSA-N 2 1 264.413 2.162 20 0 CEADMP CC(C)=CCC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000662274373 415739012 /nfs/dbraw/zinc/73/90/12/415739012.db2.gz SLIWOQGTBUMLBQ-CQSZACIVSA-N 2 1 252.402 2.030 20 0 CEADMP c1c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)onc1C1CC1 ZINC000662274090 415739977 /nfs/dbraw/zinc/73/99/77/415739977.db2.gz RAMSSQXFSMRUEK-ZIAGYGMSSA-N 2 1 275.396 2.374 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2c(c1)C[NH2+]CC2 ZINC000662275085 415743533 /nfs/dbraw/zinc/74/35/33/415743533.db2.gz RJSGWALCSKSOBQ-WBVHZDCISA-N 3 1 299.462 2.154 20 0 CEADMP Cc1nocc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000662274604 415743557 /nfs/dbraw/zinc/74/35/57/415743557.db2.gz XTQAJUIDAAEGBV-UHFFFAOYSA-N 2 1 251.374 2.324 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662276933 415744876 /nfs/dbraw/zinc/74/48/76/415744876.db2.gz AOUWLWYGRIKAEY-LSDHHAIUSA-N 2 1 287.451 2.247 20 0 CEADMP CCN1C[C@@H](C)[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662276933 415744881 /nfs/dbraw/zinc/74/48/81/415744881.db2.gz AOUWLWYGRIKAEY-LSDHHAIUSA-N 2 1 287.451 2.247 20 0 CEADMP CCN1C[C@@H](C)[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662276933 415744887 /nfs/dbraw/zinc/74/48/87/415744887.db2.gz AOUWLWYGRIKAEY-LSDHHAIUSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCc2ccccc21 ZINC000662282935 415748716 /nfs/dbraw/zinc/74/87/16/415748716.db2.gz DSUQUDVZMVYEAT-HOCLYGCPSA-N 2 1 286.419 2.169 20 0 CEADMP [NH3+]CCC[N@@H+](CCO[C@@H]1CC1(F)F)CC1CCCC1 ZINC000662271918 415736890 /nfs/dbraw/zinc/73/68/90/415736890.db2.gz BPGCPGLXVZQBIS-CYBMUJFWSA-N 2 1 276.371 2.252 20 0 CEADMP C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@H]1CCCO1 ZINC000662296416 415760155 /nfs/dbraw/zinc/76/01/55/415760155.db2.gz ZQXXGLALMIBWAF-HZPDHXFCSA-N 2 1 266.429 2.267 20 0 CEADMP CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298320 415762581 /nfs/dbraw/zinc/76/25/81/415762581.db2.gz VLRSINUTEKHXPD-GOEBONIOSA-N 2 1 295.471 2.003 20 0 CEADMP COc1cccc2c1C[N@H+](CCc1c[nH+]cn1C)CC2 ZINC000656564018 415771500 /nfs/dbraw/zinc/77/15/00/415771500.db2.gz JIDAEXGPLLNYMM-UHFFFAOYSA-N 2 1 271.364 2.030 20 0 CEADMP COc1cccc2c1C[N@@H+](CCc1c[nH+]cn1C)CC2 ZINC000656564018 415771502 /nfs/dbraw/zinc/77/15/02/415771502.db2.gz JIDAEXGPLLNYMM-UHFFFAOYSA-N 2 1 271.364 2.030 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCCC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313408 415775186 /nfs/dbraw/zinc/77/51/86/415775186.db2.gz MEPKWMXGVCTGLV-OWCLPIDISA-N 2 1 295.471 2.227 20 0 CEADMP Cc1noc([C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662290323 415756900 /nfs/dbraw/zinc/75/69/00/415756900.db2.gz CCGACIROVZYHOZ-SMDDNHRTSA-N 2 1 278.400 2.151 20 0 CEADMP COCC[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293720 415758244 /nfs/dbraw/zinc/75/82/44/415758244.db2.gz MLRXCHDHIBOUOL-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(c2ccccc2)C1 ZINC000659997953 415838782 /nfs/dbraw/zinc/83/87/82/415838782.db2.gz VPTLYAUDAIRTRP-ZWKOTPCHSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(c2ccccc2)C1 ZINC000659997953 415838789 /nfs/dbraw/zinc/83/87/89/415838789.db2.gz VPTLYAUDAIRTRP-ZWKOTPCHSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000659997953 415838792 /nfs/dbraw/zinc/83/87/92/415838792.db2.gz VPTLYAUDAIRTRP-ZWKOTPCHSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000659997953 415838797 /nfs/dbraw/zinc/83/87/97/415838797.db2.gz VPTLYAUDAIRTRP-ZWKOTPCHSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(c2ccccc2)C1 ZINC000659997946 415839594 /nfs/dbraw/zinc/83/95/94/415839594.db2.gz VPTLYAUDAIRTRP-QZTJIDSGSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(c2ccccc2)C1 ZINC000659997946 415839597 /nfs/dbraw/zinc/83/95/97/415839597.db2.gz VPTLYAUDAIRTRP-QZTJIDSGSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000659997946 415839604 /nfs/dbraw/zinc/83/96/04/415839604.db2.gz VPTLYAUDAIRTRP-QZTJIDSGSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000659997946 415839606 /nfs/dbraw/zinc/83/96/06/415839606.db2.gz VPTLYAUDAIRTRP-QZTJIDSGSA-N 2 1 290.451 2.351 20 0 CEADMP COc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662325830 415780206 /nfs/dbraw/zinc/78/02/06/415780206.db2.gz QMBSAMKLJJQENG-QGZVFWFLSA-N 2 1 292.423 2.238 20 0 CEADMP COc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662325830 415780210 /nfs/dbraw/zinc/78/02/10/415780210.db2.gz QMBSAMKLJJQENG-QGZVFWFLSA-N 2 1 292.423 2.238 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@](C)(C(F)F)O1 ZINC000662335688 415786953 /nfs/dbraw/zinc/78/69/53/415786953.db2.gz OYBKIRQNJACVCP-MBNYWOFBSA-N 2 1 276.371 2.121 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)CCC[C@@H]1C ZINC000659953109 415802950 /nfs/dbraw/zinc/80/29/50/415802950.db2.gz SISLKFSGVNASCT-QLFBSQMISA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000659953109 415802955 /nfs/dbraw/zinc/80/29/55/415802955.db2.gz SISLKFSGVNASCT-QLFBSQMISA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000659953109 415802959 /nfs/dbraw/zinc/80/29/59/415802959.db2.gz SISLKFSGVNASCT-QLFBSQMISA-N 2 1 256.434 2.198 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](OC)C2CCC2)C1 ZINC000659982128 415824495 /nfs/dbraw/zinc/82/44/95/415824495.db2.gz GBTDYUZVZLBSIN-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](OC)C2CCC2)C1 ZINC000659982128 415824499 /nfs/dbraw/zinc/82/44/99/415824499.db2.gz GBTDYUZVZLBSIN-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC000659982128 415824502 /nfs/dbraw/zinc/82/45/02/415824502.db2.gz GBTDYUZVZLBSIN-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC000659982284 415825745 /nfs/dbraw/zinc/82/57/45/415825745.db2.gz JFPBGBWNMZAPMZ-QWHCGFSZSA-N 2 1 276.371 2.074 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC000659982284 415825751 /nfs/dbraw/zinc/82/57/51/415825751.db2.gz JFPBGBWNMZAPMZ-QWHCGFSZSA-N 2 1 276.371 2.074 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000659982284 415825756 /nfs/dbraw/zinc/82/57/56/415825756.db2.gz JFPBGBWNMZAPMZ-QWHCGFSZSA-N 2 1 276.371 2.074 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000659982284 415825761 /nfs/dbraw/zinc/82/57/61/415825761.db2.gz JFPBGBWNMZAPMZ-QWHCGFSZSA-N 2 1 276.371 2.074 20 0 CEADMP CC[NH+]1CCC(N(C)CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659983381 415827397 /nfs/dbraw/zinc/82/73/97/415827397.db2.gz KTHKGGXSJYZXQI-IYBDPMFKSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@H]1C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)C[C@@H](C)C1 ZINC000656707298 415827787 /nfs/dbraw/zinc/82/77/87/415827787.db2.gz XBXSPVPINLVAQG-NHIYQJMISA-N 2 1 268.445 2.103 20 0 CEADMP C[C@H]1C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H](C)C1 ZINC000656707298 415827791 /nfs/dbraw/zinc/82/77/91/415827791.db2.gz XBXSPVPINLVAQG-NHIYQJMISA-N 2 1 268.445 2.103 20 0 CEADMP C[C@@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1n1ccnc1 ZINC000660111759 415884586 /nfs/dbraw/zinc/88/45/86/415884586.db2.gz HGRJBVXYZSBYKL-FRRDWIJNSA-N 2 1 285.338 2.190 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+]([C@H]1COC(C)(C)C1)CC2 ZINC000660167270 415912385 /nfs/dbraw/zinc/91/23/85/415912385.db2.gz NUZUMOPYXAWECG-CYBMUJFWSA-N 2 1 252.402 2.114 20 0 CEADMP C[N@H+]1CCCC12CC[NH+]([C@H]1COC(C)(C)C1)CC2 ZINC000660167270 415912387 /nfs/dbraw/zinc/91/23/87/415912387.db2.gz NUZUMOPYXAWECG-CYBMUJFWSA-N 2 1 252.402 2.114 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662749276 415952493 /nfs/dbraw/zinc/95/24/93/415952493.db2.gz BYTVVAXYQIKGDF-KCPJHIHWSA-N 2 1 298.390 2.095 20 0 CEADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305122103 287378439 /nfs/dbraw/zinc/37/84/39/287378439.db2.gz JYVRLTWGUYZMQE-ZIAGYGMSSA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@@](C)(O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000364643674 287393313 /nfs/dbraw/zinc/39/33/13/287393313.db2.gz WRGYHHCQYFCIQW-DZGCQCFKSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000364643674 287393315 /nfs/dbraw/zinc/39/33/15/287393315.db2.gz WRGYHHCQYFCIQW-DZGCQCFKSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361215770 287391764 /nfs/dbraw/zinc/39/17/64/287391764.db2.gz KKRNWZWYGAVVRM-KLHDSHLOSA-N 2 1 267.461 2.322 20 0 CEADMP COc1c(C)cnc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1C ZINC000313937917 419478294 /nfs/dbraw/zinc/47/82/94/419478294.db2.gz ZHUYOHCBACWBHL-YOEHRIQHSA-N 2 1 289.423 2.268 20 0 CEADMP COc1c(C)cnc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1C ZINC000313937917 419478304 /nfs/dbraw/zinc/47/83/04/419478304.db2.gz ZHUYOHCBACWBHL-YOEHRIQHSA-N 2 1 289.423 2.268 20 0 CEADMP c1cc(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000317421896 419481842 /nfs/dbraw/zinc/48/18/42/419481842.db2.gz QLGCGPGZNGBUBP-GOSISDBHSA-N 2 1 299.462 2.393 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H](N3CCCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000317421896 419481849 /nfs/dbraw/zinc/48/18/49/419481849.db2.gz QLGCGPGZNGBUBP-GOSISDBHSA-N 2 1 299.462 2.393 20 0 CEADMP c1ccc(N2CCC([NH2+]C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000666769894 419424078 /nfs/dbraw/zinc/42/40/78/419424078.db2.gz GPHMBEIESVVALJ-INIZCTEOSA-N 2 1 273.424 2.387 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1O ZINC000666770618 419424772 /nfs/dbraw/zinc/42/47/72/419424772.db2.gz NAPGPNHFLMNNGS-ZFWWWQNUSA-N 2 1 292.423 2.454 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858099 419451076 /nfs/dbraw/zinc/45/10/76/419451076.db2.gz XCMKOMDNJBCBAW-CQSZACIVSA-N 2 1 250.390 2.004 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000665855367 419461824 /nfs/dbraw/zinc/46/18/24/419461824.db2.gz PFMYNUOAENYKBK-CQSZACIVSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000666172155 419564158 /nfs/dbraw/zinc/56/41/58/419564158.db2.gz JJRMSOGEPXTERN-LSDHHAIUSA-N 3 1 267.461 2.038 20 0 CEADMP C1CC2(C1)C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC[NH2+]2 ZINC000666993897 419504897 /nfs/dbraw/zinc/50/48/97/419504897.db2.gz RXCAXZPOWFQRGJ-FXUDXRNXSA-N 3 1 277.456 2.171 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000666705345 419779784 /nfs/dbraw/zinc/77/97/84/419779784.db2.gz MJMNSTRCVILOEJ-LSDHHAIUSA-N 2 1 254.418 2.108 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000666705342 419780822 /nfs/dbraw/zinc/78/08/22/419780822.db2.gz MJMNSTRCVILOEJ-GJZGRUSLSA-N 2 1 254.418 2.108 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667733575 419784631 /nfs/dbraw/zinc/78/46/31/419784631.db2.gz JMFURXTUAQAZLV-ZDUSSCGKSA-N 2 1 292.427 2.387 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000449131806 260237400 /nfs/dbraw/zinc/23/74/00/260237400.db2.gz PSFJITCCGYYJHN-MGPQQGTHSA-N 2 1 256.459 2.448 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000518171365 260347763 /nfs/dbraw/zinc/34/77/63/260347763.db2.gz XKPXJFACDQQQFO-HRCADAONSA-N 2 1 294.826 2.241 20 0 CEADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCCC1(F)F ZINC000390567825 262219263 /nfs/dbraw/zinc/21/92/63/262219263.db2.gz BSJATSZKPFOVPR-JHJVBQTASA-N 2 1 276.371 2.169 20 0 CEADMP CN(C)C(=O)OC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000495800049 262311455 /nfs/dbraw/zinc/31/14/55/262311455.db2.gz SCLIDNNRYIOMNO-CQSZACIVSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)OC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000495800049 262311457 /nfs/dbraw/zinc/31/14/57/262311457.db2.gz SCLIDNNRYIOMNO-CQSZACIVSA-N 2 1 297.443 2.023 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414774019 263043415 /nfs/dbraw/zinc/04/34/15/263043415.db2.gz FBQOCTLGPPGSOS-SJORKVTESA-N 2 1 290.455 2.361 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)CC2CCCCC2)C1 ZINC000430580798 263306638 /nfs/dbraw/zinc/30/66/38/263306638.db2.gz SMLQGZXUEZMNBD-HOCLYGCPSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)CC2CCCCC2)C1 ZINC000430580798 263306639 /nfs/dbraw/zinc/30/66/39/263306639.db2.gz SMLQGZXUEZMNBD-HOCLYGCPSA-N 2 1 295.471 2.084 20 0 CEADMP CS[C@@H]1CC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000425340368 264008224 /nfs/dbraw/zinc/00/82/24/264008224.db2.gz DYBKTZIBUHHXNU-CHWSQXEVSA-N 2 1 253.415 2.455 20 0 CEADMP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000519224382 265370625 /nfs/dbraw/zinc/37/06/25/265370625.db2.gz GUXBOAIRCIQABC-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@H+](C)C2)o1 ZINC000044532854 270229515 /nfs/dbraw/zinc/22/95/15/270229515.db2.gz JBWFDCLEUFIJLS-ZDUSSCGKSA-N 2 1 288.395 2.410 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000044533435 270229822 /nfs/dbraw/zinc/22/98/22/270229822.db2.gz WBOLPCQCYKZHOU-CQSZACIVSA-N 2 1 290.407 2.279 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000044533435 270229823 /nfs/dbraw/zinc/22/98/23/270229823.db2.gz WBOLPCQCYKZHOU-CQSZACIVSA-N 2 1 290.407 2.279 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322825493 270335357 /nfs/dbraw/zinc/33/53/57/270335357.db2.gz DQSVZWIRKLBNHS-GOOCMWNKSA-N 2 1 284.407 2.358 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322825493 270335358 /nfs/dbraw/zinc/33/53/58/270335358.db2.gz DQSVZWIRKLBNHS-GOOCMWNKSA-N 2 1 284.407 2.358 20 0 CEADMP C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000396453472 270349585 /nfs/dbraw/zinc/34/95/85/270349585.db2.gz SIYBKZLKUKKETC-AEFFLSMTSA-N 2 1 287.451 2.192 20 0 CEADMP CC(C)CCOCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397386252 270353116 /nfs/dbraw/zinc/35/31/16/270353116.db2.gz MADRRPHNTUWQMC-ZNMIVQPWSA-N 2 1 256.434 2.354 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cncc(F)c2)C[C@H]1C[NH3+] ZINC000397334994 270353702 /nfs/dbraw/zinc/35/37/02/270353702.db2.gz XYBHQKJHNLGPPA-NQBHXWOUSA-N 2 1 251.349 2.026 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cncc(F)c2)C[C@H]1C[NH3+] ZINC000397334994 270353704 /nfs/dbraw/zinc/35/37/04/270353704.db2.gz XYBHQKJHNLGPPA-NQBHXWOUSA-N 2 1 251.349 2.026 20 0 CEADMP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000418467126 270378326 /nfs/dbraw/zinc/37/83/26/270378326.db2.gz OPCLVNFCHHTWSD-RBSFLKMASA-N 2 1 298.475 2.018 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336645 270521405 /nfs/dbraw/zinc/52/14/05/270521405.db2.gz WAZDPOUKVXVRTD-KBPBESRZSA-N 2 1 279.453 2.316 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H](C)C[C@@H](C)[NH3+])CC2)[nH+]1 ZINC000422764356 270757595 /nfs/dbraw/zinc/75/75/95/270757595.db2.gz PYDOVYMJBOSUMW-OCCSQVGLSA-N 3 1 276.428 2.074 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000422778546 270763381 /nfs/dbraw/zinc/76/33/81/270763381.db2.gz DULROKLEJPDFIP-CYBMUJFWSA-N 3 1 276.428 2.267 20 0 CEADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423085344 270832999 /nfs/dbraw/zinc/83/29/99/270832999.db2.gz KGONFZZQXZBXAU-DRABBMOASA-N 2 1 274.364 2.063 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000423265597 270884199 /nfs/dbraw/zinc/88/41/99/270884199.db2.gz CISCJARLYOIXCQ-MNOVXSKESA-N 2 1 284.375 2.349 20 0 CEADMP C[NH2+]C[C@@H](C)CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423272314 270886183 /nfs/dbraw/zinc/88/61/83/270886183.db2.gz JUWAWKWZPVHJDR-CABCVRRESA-N 2 1 293.455 2.133 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423450715 270913330 /nfs/dbraw/zinc/91/33/30/270913330.db2.gz UBZWNTWDPLQXIE-IHRRRGAJSA-N 3 1 279.428 2.013 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1 ZINC000423500151 270918033 /nfs/dbraw/zinc/91/80/33/270918033.db2.gz CUDDDEFPNIKLPT-BXUZGUMPSA-N 2 1 268.788 2.369 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000423778915 270944577 /nfs/dbraw/zinc/94/45/77/270944577.db2.gz UNTYRUMUROCCKD-OFQRWUPVSA-N 2 1 283.460 2.131 20 0 CEADMP CC[NH2+]CC1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424268633 271037635 /nfs/dbraw/zinc/03/76/35/271037635.db2.gz LJZQRGSWUJSVKQ-INIZCTEOSA-N 2 1 293.430 2.190 20 0 CEADMP CC[NH2+]CC1CC[NH+](C[C@H](CN)c2ccc(F)cc2)CC1 ZINC000424268633 271037638 /nfs/dbraw/zinc/03/76/38/271037638.db2.gz LJZQRGSWUJSVKQ-INIZCTEOSA-N 2 1 293.430 2.190 20 0 CEADMP O[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000424336748 271048594 /nfs/dbraw/zinc/04/85/94/271048594.db2.gz YNJYXUWMWAWQGD-YYWYGQEZSA-N 2 1 286.419 2.010 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@]1(C)CCCO1 ZINC000428215343 271247322 /nfs/dbraw/zinc/24/73/22/271247322.db2.gz AXYRLKKUVKNCAM-GZBFAFLISA-N 2 1 252.402 2.018 20 0 CEADMP OC[C@@H](CC(F)F)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000429472561 271333610 /nfs/dbraw/zinc/33/36/10/271333610.db2.gz PTVYVJBQNNLOBZ-CYBMUJFWSA-N 2 1 290.398 2.389 20 0 CEADMP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000430553550 271388653 /nfs/dbraw/zinc/38/86/53/271388653.db2.gz DDYJSZSEENEDTE-KGLIPLIRSA-N 2 1 291.439 2.169 20 0 CEADMP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000430553550 271388657 /nfs/dbraw/zinc/38/86/57/271388657.db2.gz DDYJSZSEENEDTE-KGLIPLIRSA-N 2 1 291.439 2.169 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000430563812 271390682 /nfs/dbraw/zinc/39/06/82/271390682.db2.gz KDUYNPHNMGGUIK-KNIAUWFNSA-N 2 1 297.487 2.375 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000430563812 271390686 /nfs/dbraw/zinc/39/06/86/271390686.db2.gz KDUYNPHNMGGUIK-KNIAUWFNSA-N 2 1 297.487 2.375 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000430560936 271390713 /nfs/dbraw/zinc/39/07/13/271390713.db2.gz JAMQGMKUOXXTJD-JJXSEGSLSA-N 2 1 297.487 2.375 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000430560936 271390716 /nfs/dbraw/zinc/39/07/16/271390716.db2.gz JAMQGMKUOXXTJD-JJXSEGSLSA-N 2 1 297.487 2.375 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000430573812 271392833 /nfs/dbraw/zinc/39/28/33/271392833.db2.gz MUQJSTNFLLUHLV-CABCVRRESA-N 2 1 261.413 2.182 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000436310596 271660841 /nfs/dbraw/zinc/66/08/41/271660841.db2.gz RRSZEEWWYSMMSQ-SBJFKYEJSA-N 2 1 282.428 2.037 20 0 CEADMP Cc1nc2c(s1)[C@H]([NH2+]CC1([NH3+])CCC1)CCC2 ZINC000335050200 274849322 /nfs/dbraw/zinc/84/93/22/274849322.db2.gz AAVFSUMLHFONIU-SNVBAGLBSA-N 2 1 251.399 2.300 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414903903 275539747 /nfs/dbraw/zinc/53/97/47/275539747.db2.gz MQVSUTIDLKZRBC-OAHLLOKOSA-N 2 1 264.417 2.187 20 0 CEADMP CCN(C(=O)[C@@H](C)[NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000237047512 276062923 /nfs/dbraw/zinc/06/29/23/276062923.db2.gz WEQPAGPCIQENBD-YCPHGPKFSA-N 2 1 289.423 2.018 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC000249149430 276074556 /nfs/dbraw/zinc/07/45/56/276074556.db2.gz XJLRKODHRABGJL-GDBMZVCRSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000249149430 276074557 /nfs/dbraw/zinc/07/45/57/276074557.db2.gz XJLRKODHRABGJL-GDBMZVCRSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000249149430 276074560 /nfs/dbraw/zinc/07/45/60/276074560.db2.gz XJLRKODHRABGJL-GDBMZVCRSA-N 2 1 268.445 2.201 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000311508064 276221562 /nfs/dbraw/zinc/22/15/62/276221562.db2.gz QWZXTJYVZRCTAM-UTUOFQBUSA-N 2 1 280.334 2.028 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCC[C@H]2C)C[C@H]1C ZINC000362182158 276224198 /nfs/dbraw/zinc/22/41/98/276224198.db2.gz BSVPPQDHAHWGQC-OAGGEKHMSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N2CCC[C@H]2C)C[C@H]1C ZINC000362182158 276224199 /nfs/dbraw/zinc/22/41/99/276224199.db2.gz BSVPPQDHAHWGQC-OAGGEKHMSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N2CCC[C@H]2C)C[C@H]1C ZINC000362182158 276224201 /nfs/dbraw/zinc/22/42/01/276224201.db2.gz BSVPPQDHAHWGQC-OAGGEKHMSA-N 2 1 295.471 2.192 20 0 CEADMP CCOC(=O)CCCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000174779050 276275872 /nfs/dbraw/zinc/27/58/72/276275872.db2.gz PXUNYJWIDWHOAG-HUUCEWRRSA-N 2 1 284.444 2.382 20 0 CEADMP CCOC(=O)CCCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000174779050 276275874 /nfs/dbraw/zinc/27/58/74/276275874.db2.gz PXUNYJWIDWHOAG-HUUCEWRRSA-N 2 1 284.444 2.382 20 0 CEADMP CCOC(=O)CCCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000174779050 276275875 /nfs/dbraw/zinc/27/58/75/276275875.db2.gz PXUNYJWIDWHOAG-HUUCEWRRSA-N 2 1 284.444 2.382 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(O)CC2)[C@H](C)C1 ZINC000151356393 276315615 /nfs/dbraw/zinc/31/56/15/276315615.db2.gz RXCBXJHRZWRNEO-VXLLPVPCSA-N 2 1 298.471 2.017 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000365052413 276324048 /nfs/dbraw/zinc/32/40/48/276324048.db2.gz ITNALQGMHCMKTP-CQSZACIVSA-N 2 1 264.417 2.321 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000365052413 276324049 /nfs/dbraw/zinc/32/40/49/276324049.db2.gz ITNALQGMHCMKTP-CQSZACIVSA-N 2 1 264.417 2.321 20 0 CEADMP CC[N@H+](CCCCn1cc[nH+]c1C)CC(C)(C)O ZINC000305707135 276342846 /nfs/dbraw/zinc/34/28/46/276342846.db2.gz YTXGWIYKBJOBBJ-UHFFFAOYSA-N 2 1 253.390 2.065 20 0 CEADMP CC[N@@H+](CCCCn1cc[nH+]c1C)CC(C)(C)O ZINC000305707135 276342847 /nfs/dbraw/zinc/34/28/47/276342847.db2.gz YTXGWIYKBJOBBJ-UHFFFAOYSA-N 2 1 253.390 2.065 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000362468022 276359578 /nfs/dbraw/zinc/35/95/78/276359578.db2.gz NRZYWOJNBKUIRF-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C[NH2+][C@@H](C)[C@H]1CCCOC1)[NH+]1CCCC1 ZINC000356830580 276626854 /nfs/dbraw/zinc/62/68/54/276626854.db2.gz APUOMQNVYSNGPX-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000366649162 277044798 /nfs/dbraw/zinc/04/47/98/277044798.db2.gz CRXFAUHYUAATAY-HRCADAONSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000366649162 277044799 /nfs/dbraw/zinc/04/47/99/277044799.db2.gz CRXFAUHYUAATAY-HRCADAONSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000366649162 277044800 /nfs/dbraw/zinc/04/48/00/277044800.db2.gz CRXFAUHYUAATAY-HRCADAONSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)[C@H]2CCC[C@@H]21 ZINC000353590739 277170210 /nfs/dbraw/zinc/17/02/10/277170210.db2.gz UXDVERDBZGFXIK-PMPSAXMXSA-N 2 1 292.467 2.392 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)[C@@H]2CCC[C@H]21 ZINC000353590736 277170219 /nfs/dbraw/zinc/17/02/19/277170219.db2.gz UXDVERDBZGFXIK-HRCADAONSA-N 2 1 292.467 2.392 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000414839153 277274751 /nfs/dbraw/zinc/27/47/51/277274751.db2.gz LWQYBJAZFARJHU-GFCCVEGCSA-N 2 1 262.397 2.345 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000262054180 277279866 /nfs/dbraw/zinc/27/98/66/277279866.db2.gz ZZSABUUBICEYGD-HNNXBMFYSA-N 2 1 298.434 2.437 20 0 CEADMP CC(C)CCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368928221 277351155 /nfs/dbraw/zinc/35/11/55/277351155.db2.gz CPIJLHIYBUBESI-DLBZAZTESA-N 2 1 281.488 2.380 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246596956 277397488 /nfs/dbraw/zinc/39/74/88/277397488.db2.gz ZVVJVNDFIYAGOT-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246596956 277397489 /nfs/dbraw/zinc/39/74/89/277397489.db2.gz ZVVJVNDFIYAGOT-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246596956 277397490 /nfs/dbraw/zinc/39/74/90/277397490.db2.gz ZVVJVNDFIYAGOT-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246596956 277397492 /nfs/dbraw/zinc/39/74/92/277397492.db2.gz ZVVJVNDFIYAGOT-BBWFWOEESA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246596956 277397493 /nfs/dbraw/zinc/39/74/93/277397493.db2.gz ZVVJVNDFIYAGOT-BBWFWOEESA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246596956 277397494 /nfs/dbraw/zinc/39/74/94/277397494.db2.gz ZVVJVNDFIYAGOT-BBWFWOEESA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246596956 277397495 /nfs/dbraw/zinc/39/74/95/277397495.db2.gz ZVVJVNDFIYAGOT-BBWFWOEESA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H](N3CCCC3)C2)CC[NH2+]1 ZINC000414690091 278011081 /nfs/dbraw/zinc/01/10/81/278011081.db2.gz HSFQZJAVZWRNAX-ZACQAIPSSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1C[C@H](CN2CCCC[C@H]([NH+]3CCCC3)C2)CC[NH2+]1 ZINC000414690091 278011083 /nfs/dbraw/zinc/01/10/83/278011083.db2.gz HSFQZJAVZWRNAX-ZACQAIPSSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414677772 278011592 /nfs/dbraw/zinc/01/15/92/278011592.db2.gz JQQFLEHJMNYNQA-INMHGKMJSA-N 2 1 274.408 2.448 20 0 CEADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414814295 278236241 /nfs/dbraw/zinc/23/62/41/278236241.db2.gz RMVAFHUBUVYUMO-FZMZJTMJSA-N 2 1 276.380 2.063 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccncc1 ZINC000156673065 278254605 /nfs/dbraw/zinc/25/46/05/278254605.db2.gz JBLDCXWIBBZUSZ-GJZGRUSLSA-N 2 1 289.423 2.233 20 0 CEADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)[C@H]1CCOC1 ZINC000157414435 278258978 /nfs/dbraw/zinc/25/89/78/278258978.db2.gz INTGIPQJOCAIAS-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)[C@H]1CCOC1 ZINC000157414435 278258979 /nfs/dbraw/zinc/25/89/79/278258979.db2.gz INTGIPQJOCAIAS-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]CCn1cccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309772448 278348925 /nfs/dbraw/zinc/34/89/25/278348925.db2.gz HVSSLSKQSZRZFZ-SJLPKXTDSA-N 2 1 298.434 2.383 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000338361272 279095788 /nfs/dbraw/zinc/09/57/88/279095788.db2.gz QUNFLMCEFVSRSB-KKUMJFAQSA-N 2 1 256.434 2.200 20 0 CEADMP C[C@H](CC(=O)NCC[N@@H+](C)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000251500889 279246364 /nfs/dbraw/zinc/24/63/64/279246364.db2.gz HMNYDDHBHPGNON-CABCVRRESA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000333333648 279367677 /nfs/dbraw/zinc/36/76/77/279367677.db2.gz WRXBPHCYANVSGE-VHDGCEQUSA-N 2 1 276.428 2.167 20 0 CEADMP CC[C@@]1(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000134570959 280026082 /nfs/dbraw/zinc/02/60/82/280026082.db2.gz VSYJXZQCQWILHG-RDJZCZTQSA-N 2 1 295.471 2.289 20 0 CEADMP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000245393057 280100666 /nfs/dbraw/zinc/10/06/66/280100666.db2.gz CBZSYXLDZNBIJM-ZBFHGGJFSA-N 2 1 291.439 2.136 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000245393057 280100667 /nfs/dbraw/zinc/10/06/67/280100667.db2.gz CBZSYXLDZNBIJM-ZBFHGGJFSA-N 2 1 291.439 2.136 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(C(=O)OC)CC1 ZINC000192441469 280101338 /nfs/dbraw/zinc/10/13/38/280101338.db2.gz XFVOSXHGCHCRLT-IYXRBSQSSA-N 2 1 270.417 2.038 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(C(=O)OC)CC1 ZINC000192441469 280101339 /nfs/dbraw/zinc/10/13/39/280101339.db2.gz XFVOSXHGCHCRLT-IYXRBSQSSA-N 2 1 270.417 2.038 20 0 CEADMP CC[C@@H](C[NH2+][C@H]1CCC12CCOCC2)[NH+]1CCCC1 ZINC000374297391 280146611 /nfs/dbraw/zinc/14/66/11/280146611.db2.gz QJMBCLWIZYKYAL-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)CCO2 ZINC000223225366 280212639 /nfs/dbraw/zinc/21/26/39/280212639.db2.gz DWJXLUDAXAJKJT-RCBQFDQVSA-N 2 1 290.407 2.449 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)CCO2 ZINC000223225366 280212640 /nfs/dbraw/zinc/21/26/40/280212640.db2.gz DWJXLUDAXAJKJT-RCBQFDQVSA-N 2 1 290.407 2.449 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC(F)(F)F)[C@@H](C)C1 ZINC000246442885 280293381 /nfs/dbraw/zinc/29/33/81/280293381.db2.gz DQSLUKMCHQTCHH-NWDGAFQWSA-N 2 1 282.350 2.227 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC(F)(F)F)[C@@H](C)C1 ZINC000246442885 280293385 /nfs/dbraw/zinc/29/33/85/280293385.db2.gz DQSLUKMCHQTCHH-NWDGAFQWSA-N 2 1 282.350 2.227 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC(F)(F)F)[C@@H](C)C1 ZINC000246442885 280293387 /nfs/dbraw/zinc/29/33/87/280293387.db2.gz DQSLUKMCHQTCHH-NWDGAFQWSA-N 2 1 282.350 2.227 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C(C)(C)C ZINC000247021992 280318218 /nfs/dbraw/zinc/31/82/18/280318218.db2.gz KUNDFFSCYBUOQI-AAVRWANBSA-N 2 1 256.434 2.366 20 0 CEADMP Cc1cc(C)n(CCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000248049430 280341974 /nfs/dbraw/zinc/34/19/74/280341974.db2.gz WBSCJTICRSGZJA-IVMMDQJWSA-N 2 1 278.444 2.208 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN([C@H](C)c2cnccn2)C1 ZINC000248629573 280356065 /nfs/dbraw/zinc/35/60/65/280356065.db2.gz RCXOXLOOIHZULX-ZIAGYGMSSA-N 2 1 262.401 2.201 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000249259107 280389488 /nfs/dbraw/zinc/38/94/88/280389488.db2.gz GOXDOZVOWPDMEA-IAGOWNOFSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000422913719 280961985 /nfs/dbraw/zinc/96/19/85/280961985.db2.gz QOJBAWFUFSUQMS-SMDDNHRTSA-N 2 1 295.814 2.256 20 0 CEADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)CC2 ZINC000422945387 280974587 /nfs/dbraw/zinc/97/45/87/280974587.db2.gz UJXUCYVCJGWQFH-NWANDNLSSA-N 2 1 276.428 2.051 20 0 CEADMP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423052936 281011966 /nfs/dbraw/zinc/01/19/66/281011966.db2.gz RKEWLZXQVCTRHZ-GHMZBOCLSA-N 2 1 264.417 2.205 20 0 CEADMP CC[C@H]([NH2+][C@H](CO)Cc1ccccc1C)[C@@H]1CCC[NH2+]1 ZINC000423057695 281013105 /nfs/dbraw/zinc/01/31/05/281013105.db2.gz HZCPGIFENTVSLU-ULQDDVLXSA-N 2 1 276.424 2.019 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)OC ZINC000423162149 281020818 /nfs/dbraw/zinc/02/08/18/281020818.db2.gz SUOAPRLKYYLPPE-WDMOLILDSA-N 2 1 251.374 2.206 20 0 CEADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000423380249 281026551 /nfs/dbraw/zinc/02/65/51/281026551.db2.gz NMIGSQUKDROCQF-FRRDWIJNSA-N 2 1 278.396 2.495 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423383016 281027153 /nfs/dbraw/zinc/02/71/53/281027153.db2.gz JBPNFZKYMVFCMI-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP COc1cc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1OC(F)F ZINC000423426744 281038660 /nfs/dbraw/zinc/03/86/60/281038660.db2.gz HYEKGLSIIYOKSC-GJTWSCIVSA-N 2 1 298.333 2.165 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1OC ZINC000423449324 281046452 /nfs/dbraw/zinc/04/64/52/281046452.db2.gz RJTJZQABHYLBDC-SRVKXCTJSA-N 2 1 266.385 2.399 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1OC ZINC000423449406 281046540 /nfs/dbraw/zinc/04/65/40/281046540.db2.gz RJTJZQABHYLBDC-WOPDTQHZSA-N 2 1 266.385 2.399 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccc(C(=O)OC)cc1 ZINC000423477731 281053186 /nfs/dbraw/zinc/05/31/86/281053186.db2.gz UBZCLFJKDIYXOY-UONOGXRCSA-N 2 1 264.369 2.251 20 0 CEADMP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423519555 281062407 /nfs/dbraw/zinc/06/24/07/281062407.db2.gz PZQCWHZAXLBCJG-BPUTZDHNSA-N 3 1 261.413 2.197 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC000424314581 281148080 /nfs/dbraw/zinc/14/80/80/281148080.db2.gz OSGWQDGDGZYBRW-UGYDUONOSA-N 2 1 266.429 2.262 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC000424314581 281148082 /nfs/dbraw/zinc/14/80/82/281148082.db2.gz OSGWQDGDGZYBRW-UGYDUONOSA-N 2 1 266.429 2.262 20 0 CEADMP CC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC000426426010 281192896 /nfs/dbraw/zinc/19/28/96/281192896.db2.gz UNKDRSJIHAMNSB-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)[N@H+]1CCCC[C@H]1C ZINC000427265734 281195566 /nfs/dbraw/zinc/19/55/66/281195566.db2.gz DXGLWULOXTUPAY-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)NCC[C@@H](C)[NH3+])cc1)C1CC1 ZINC000429021533 281218293 /nfs/dbraw/zinc/21/82/93/281218293.db2.gz QXMUMAIQXLFYFW-CYBMUJFWSA-N 2 1 289.423 2.138 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000430925550 281280759 /nfs/dbraw/zinc/28/07/59/281280759.db2.gz DKQOISCXBLOKNF-SNVBAGLBSA-N 2 1 299.777 2.088 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431748528 281316640 /nfs/dbraw/zinc/31/66/40/281316640.db2.gz HFDDMKPIBUMYQT-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCC[NH+](CCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000431748528 281316643 /nfs/dbraw/zinc/31/66/43/281316643.db2.gz HFDDMKPIBUMYQT-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCC[NH+](CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000431748528 281316646 /nfs/dbraw/zinc/31/66/46/281316646.db2.gz HFDDMKPIBUMYQT-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP COC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCCO1 ZINC000433006250 281359090 /nfs/dbraw/zinc/35/90/90/281359090.db2.gz PCHGIJPSWFQRTN-HUUCEWRRSA-N 2 1 284.444 2.033 20 0 CEADMP COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@H]2C[NH3+])cc1F ZINC000435378289 281385878 /nfs/dbraw/zinc/38/58/78/281385878.db2.gz IAACXIRLXFGPNT-JSGCOSHPSA-N 2 1 280.387 2.436 20 0 CEADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@H]2C[NH3+])cc1F ZINC000435378289 281385881 /nfs/dbraw/zinc/38/58/81/281385881.db2.gz IAACXIRLXFGPNT-JSGCOSHPSA-N 2 1 280.387 2.436 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000435373572 281385912 /nfs/dbraw/zinc/38/59/12/281385912.db2.gz FDXPIVMTWLLNJQ-GFCCVEGCSA-N 2 1 274.368 2.019 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000435373572 281385914 /nfs/dbraw/zinc/38/59/14/281385914.db2.gz FDXPIVMTWLLNJQ-GFCCVEGCSA-N 2 1 274.368 2.019 20 0 CEADMP CCC[N@H+](Cc1cc(O)cc(F)c1)C1CC[NH2+]CC1 ZINC000435376739 281385957 /nfs/dbraw/zinc/38/59/57/281385957.db2.gz UJDQQHNWMWNUFL-UHFFFAOYSA-N 2 1 266.360 2.495 20 0 CEADMP CCC[N@@H+](Cc1cc(O)cc(F)c1)C1CC[NH2+]CC1 ZINC000435376739 281385961 /nfs/dbraw/zinc/38/59/61/281385961.db2.gz UJDQQHNWMWNUFL-UHFFFAOYSA-N 2 1 266.360 2.495 20 0 CEADMP CCOc1cccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)n1 ZINC000435438575 281390080 /nfs/dbraw/zinc/39/00/80/281390080.db2.gz QHADPBFACYJAEQ-CQSZACIVSA-N 2 1 263.385 2.054 20 0 CEADMP CCOc1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)n1 ZINC000435438575 281390084 /nfs/dbraw/zinc/39/00/84/281390084.db2.gz QHADPBFACYJAEQ-CQSZACIVSA-N 2 1 263.385 2.054 20 0 CEADMP C[NH+](C)C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000250360016 289060801 /nfs/dbraw/zinc/06/08/01/289060801.db2.gz SDUZWKMUCUREML-CVEARBPZSA-N 2 1 279.472 2.467 20 0 CEADMP C[NH+](C)CC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000355069230 289095426 /nfs/dbraw/zinc/09/54/26/289095426.db2.gz RKOMOMYEYHZVIW-HOTGVXAUSA-N 2 1 279.472 2.325 20 0 CEADMP C[NH+](C)CC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000355069230 289095429 /nfs/dbraw/zinc/09/54/29/289095429.db2.gz RKOMOMYEYHZVIW-HOTGVXAUSA-N 3 1 279.472 2.325 20 0 CEADMP C[NH+](C)CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000355069230 289095432 /nfs/dbraw/zinc/09/54/32/289095432.db2.gz RKOMOMYEYHZVIW-HOTGVXAUSA-N 3 1 279.472 2.325 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000304541461 289189531 /nfs/dbraw/zinc/18/95/31/289189531.db2.gz RHCYOKGSHAXXJT-RUXDESIVSA-N 2 1 256.434 2.103 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000158241718 289230456 /nfs/dbraw/zinc/23/04/56/289230456.db2.gz KTENCPRTBNMCMY-KBPBESRZSA-N 2 1 264.417 2.456 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000300409996 290054012 /nfs/dbraw/zinc/05/40/12/290054012.db2.gz CZHUWMJQQCJOAI-QEJZJMRPSA-N 2 1 252.402 2.018 20 0 CEADMP COC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000459380243 290131371 /nfs/dbraw/zinc/13/13/71/290131371.db2.gz AWYWXKIYMKUYOU-HNNXBMFYSA-N 2 1 277.343 2.079 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)[C@@H]1SC ZINC000459388401 290134035 /nfs/dbraw/zinc/13/40/35/290134035.db2.gz LKPZQIFZMRLUOC-BEAPCOKYSA-N 2 1 297.468 2.326 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@@H]1SC ZINC000459390690 290134772 /nfs/dbraw/zinc/13/47/72/290134772.db2.gz OYLBJUVRCRNXDS-MCIONIFRSA-N 2 1 274.474 2.215 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC2CC[NH+](C3CC3)CC2)C1 ZINC000459424683 290144488 /nfs/dbraw/zinc/14/44/88/290144488.db2.gz JHUSKTAWNRYBSV-OAHLLOKOSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000459424683 290144491 /nfs/dbraw/zinc/14/44/91/290144491.db2.gz JHUSKTAWNRYBSV-OAHLLOKOSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000459424683 290144493 /nfs/dbraw/zinc/14/44/93/290144493.db2.gz JHUSKTAWNRYBSV-OAHLLOKOSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000459547255 290175643 /nfs/dbraw/zinc/17/56/43/290175643.db2.gz VSICLNVDVDKOPB-BTTYYORXSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H]2CCC[C@@H]21 ZINC000353442224 290223776 /nfs/dbraw/zinc/22/37/76/290223776.db2.gz PBUHGCCMYOQKHO-MTSZKFMLSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]2CCC[C@@H]21 ZINC000353442224 290223779 /nfs/dbraw/zinc/22/37/79/290223779.db2.gz PBUHGCCMYOQKHO-MTSZKFMLSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]2CCC[C@@H]21 ZINC000353442224 290223783 /nfs/dbraw/zinc/22/37/83/290223783.db2.gz PBUHGCCMYOQKHO-MTSZKFMLSA-N 2 1 277.456 2.076 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H]2CCC[C@@H]21 ZINC000353442224 290223788 /nfs/dbraw/zinc/22/37/88/290223788.db2.gz PBUHGCCMYOQKHO-MTSZKFMLSA-N 3 1 277.456 2.076 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H]2CCC[C@@H]21 ZINC000353442224 290223790 /nfs/dbraw/zinc/22/37/90/290223790.db2.gz PBUHGCCMYOQKHO-MTSZKFMLSA-N 3 1 277.456 2.076 20 0 CEADMP C[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]2CCC[C@@H]21 ZINC000353442224 290223791 /nfs/dbraw/zinc/22/37/91/290223791.db2.gz PBUHGCCMYOQKHO-MTSZKFMLSA-N 3 1 277.456 2.076 20 0 CEADMP C[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]2CCC[C@@H]21 ZINC000353442224 290223792 /nfs/dbraw/zinc/22/37/92/290223792.db2.gz PBUHGCCMYOQKHO-MTSZKFMLSA-N 3 1 277.456 2.076 20 0 CEADMP CCC[C@H]([NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1)C1CCC1 ZINC000459815348 290247585 /nfs/dbraw/zinc/24/75/85/290247585.db2.gz YENBJGIPEVGGOU-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000487276367 290339485 /nfs/dbraw/zinc/33/94/85/290339485.db2.gz QCVLUNOFBQFQDH-KBPBESRZSA-N 2 1 256.459 2.450 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@H+](C)[C@H](C(C)C)C2)c1C ZINC000488053078 290375767 /nfs/dbraw/zinc/37/57/67/290375767.db2.gz OJTJUGLKHRDHDG-INIZCTEOSA-N 2 1 291.439 2.479 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)[C@H](C(C)C)C2)c1C ZINC000488053078 290375769 /nfs/dbraw/zinc/37/57/69/290375769.db2.gz OJTJUGLKHRDHDG-INIZCTEOSA-N 2 1 291.439 2.479 20 0 CEADMP CCCCCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000516626074 297598511 /nfs/dbraw/zinc/59/85/11/297598511.db2.gz WXAAMXDYJYQXLR-UHFFFAOYSA-N 2 1 290.411 2.352 20 0 CEADMP COC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000530215527 298052592 /nfs/dbraw/zinc/05/25/92/298052592.db2.gz HBKFAQXMLZTKOI-KGLIPLIRSA-N 2 1 252.402 2.066 20 0 CEADMP COC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000530215526 298052667 /nfs/dbraw/zinc/05/26/67/298052667.db2.gz HBKFAQXMLZTKOI-KBPBESRZSA-N 2 1 252.402 2.066 20 0 CEADMP CC(C)(C)c1ncc2c(n1)CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000530221456 298055513 /nfs/dbraw/zinc/05/55/13/298055513.db2.gz DBRSGRYGGSDLCB-CYBMUJFWSA-N 2 1 288.439 2.132 20 0 CEADMP CCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccnc1 ZINC000530513218 298075702 /nfs/dbraw/zinc/07/57/02/298075702.db2.gz UCPQBRKHRFDORV-HNNXBMFYSA-N 2 1 258.369 2.489 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)o1 ZINC000532195939 298135665 /nfs/dbraw/zinc/13/56/65/298135665.db2.gz MXRWGXUWJICBKV-LALPHHSUSA-N 2 1 250.386 2.449 20 0 CEADMP C[C@@H](NCC[C@H]1CCCC[N@H+]1C)c1nnc2ccccn21 ZINC000543518192 298310974 /nfs/dbraw/zinc/31/09/74/298310974.db2.gz FZEAFKZLWDRLDD-ZIAGYGMSSA-N 2 1 287.411 2.254 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000336791322 298390857 /nfs/dbraw/zinc/39/08/57/298390857.db2.gz NBHSMYVZLDUROF-HUUCEWRRSA-N 3 1 255.450 2.358 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC12CCOCC2 ZINC000554560896 298513208 /nfs/dbraw/zinc/51/32/08/298513208.db2.gz MOEJAJRHUBKGPM-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cn2c1 ZINC000565226390 298889588 /nfs/dbraw/zinc/88/95/88/298889588.db2.gz KOMFUIHGKXEALS-STQMWFEESA-N 2 1 258.369 2.002 20 0 CEADMP CC(C)CCc1noc(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000566355935 298971556 /nfs/dbraw/zinc/97/15/56/298971556.db2.gz MBYQLHHKRKOGPV-UHFFFAOYSA-N 2 1 280.416 2.219 20 0 CEADMP COC(=O)c1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000566679511 299014663 /nfs/dbraw/zinc/01/46/63/299014663.db2.gz WOSAKYTZIKRFSZ-QGZVFWFLSA-N 2 1 288.391 2.049 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000566679511 299014666 /nfs/dbraw/zinc/01/46/66/299014666.db2.gz WOSAKYTZIKRFSZ-QGZVFWFLSA-N 2 1 288.391 2.049 20 0 CEADMP COC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000514795301 313055908 /nfs/dbraw/zinc/05/59/08/313055908.db2.gz FLPSKZPXDGZNGR-MRXNPFEDSA-N 2 1 273.380 2.330 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000515305873 313067255 /nfs/dbraw/zinc/06/72/55/313067255.db2.gz KCVBDQQGGJUYCK-ZFWWWQNUSA-N 2 1 256.434 2.105 20 0 CEADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccn1 ZINC000527540477 313183128 /nfs/dbraw/zinc/18/31/28/313183128.db2.gz YTNUGAKQEDZLNI-GVDBMIGSSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccn1 ZINC000527540477 313183131 /nfs/dbraw/zinc/18/31/31/313183131.db2.gz YTNUGAKQEDZLNI-GVDBMIGSSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccn1 ZINC000527665632 313192584 /nfs/dbraw/zinc/19/25/84/313192584.db2.gz IXOASCOTNNRQSE-MQVJKMGUSA-N 2 1 259.397 2.495 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2CC[NH+]2C2CCCC2)[C@@H](C)C1 ZINC000528012118 313225701 /nfs/dbraw/zinc/22/57/01/313225701.db2.gz OCBUJVDLMFUMNZ-UAGQMJEPSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CC[N@@H+]2C2CCCC2)[C@@H](C)C1 ZINC000528012118 313225704 /nfs/dbraw/zinc/22/57/04/313225704.db2.gz OCBUJVDLMFUMNZ-UAGQMJEPSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CC[N@H+]2C2CCCC2)[C@@H](C)C1 ZINC000528012118 313225707 /nfs/dbraw/zinc/22/57/07/313225707.db2.gz OCBUJVDLMFUMNZ-UAGQMJEPSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN2C2CCCC2)[C@@H](C)C1 ZINC000528012118 313225713 /nfs/dbraw/zinc/22/57/13/313225713.db2.gz OCBUJVDLMFUMNZ-UAGQMJEPSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)n1ccc(C[C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)n1 ZINC000530179882 313280712 /nfs/dbraw/zinc/28/07/12/313280712.db2.gz YMEGSEOVLUECKU-ZFWWWQNUSA-N 2 1 276.428 2.269 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000557189700 313685861 /nfs/dbraw/zinc/68/58/61/313685861.db2.gz PGPHFRFQYLIILT-LBPRGKRZSA-N 2 1 292.427 2.002 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(OC)c1 ZINC000569604750 314003134 /nfs/dbraw/zinc/00/31/34/314003134.db2.gz AWTOTLNSNJABGQ-KRWDZBQOSA-N 2 1 290.407 2.279 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(OC)c1 ZINC000569604750 314003130 /nfs/dbraw/zinc/00/31/30/314003130.db2.gz AWTOTLNSNJABGQ-KRWDZBQOSA-N 2 1 290.407 2.279 20 0 CEADMP CCOC(=O)C[N@@H+](CCCc1cncn1C)C(C)(C)C ZINC000570642508 314050591 /nfs/dbraw/zinc/05/05/91/314050591.db2.gz UUUAYLCABKOVIV-UHFFFAOYSA-N 2 1 281.400 2.016 20 0 CEADMP CCOC(=O)C[N@@H+](CCCc1c[nH+]cn1C)C(C)(C)C ZINC000570642508 314050597 /nfs/dbraw/zinc/05/05/97/314050597.db2.gz UUUAYLCABKOVIV-UHFFFAOYSA-N 2 1 281.400 2.016 20 0 CEADMP Clc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000570811024 314060799 /nfs/dbraw/zinc/06/07/99/314060799.db2.gz WMAGNTJYJVRKBH-NHAGDIPZSA-N 2 1 288.782 2.038 20 0 CEADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCc1cccc(C)n1 ZINC000573718239 314173053 /nfs/dbraw/zinc/17/30/53/314173053.db2.gz XHWRFWFNHGIZJU-SJORKVTESA-N 2 1 273.424 2.491 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCc1cccc(C)n1 ZINC000573718239 314173056 /nfs/dbraw/zinc/17/30/56/314173056.db2.gz XHWRFWFNHGIZJU-SJORKVTESA-N 2 1 273.424 2.491 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000573931584 314184812 /nfs/dbraw/zinc/18/48/12/314184812.db2.gz YJINWZOCQUOWFS-KKUMJFAQSA-N 2 1 270.461 2.446 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000573931584 314184815 /nfs/dbraw/zinc/18/48/15/314184815.db2.gz YJINWZOCQUOWFS-KKUMJFAQSA-N 2 1 270.461 2.446 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000573931584 314184817 /nfs/dbraw/zinc/18/48/17/314184817.db2.gz YJINWZOCQUOWFS-KKUMJFAQSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000573931584 314184820 /nfs/dbraw/zinc/18/48/20/314184820.db2.gz YJINWZOCQUOWFS-KKUMJFAQSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000573931584 314184821 /nfs/dbraw/zinc/18/48/21/314184821.db2.gz YJINWZOCQUOWFS-KKUMJFAQSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)C[C@]1(CO)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000576594098 314292423 /nfs/dbraw/zinc/29/24/23/314292423.db2.gz GECUNQCNJMDGOU-INIZCTEOSA-N 2 1 279.428 2.226 20 0 CEADMP CC(C)C[C@]1(CO)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000576594098 314292425 /nfs/dbraw/zinc/29/24/25/314292425.db2.gz GECUNQCNJMDGOU-INIZCTEOSA-N 2 1 279.428 2.226 20 0 CEADMP CN(CC[N@@H+]1CC2CCC1(C[NH3+])CC2)c1ccccc1 ZINC000577528129 314387979 /nfs/dbraw/zinc/38/79/79/314387979.db2.gz DLYPHOKWDYSNSV-UHFFFAOYSA-N 2 1 273.424 2.326 20 0 CEADMP CN(CC[N@H+]1CC2CCC1(C[NH3+])CC2)c1ccccc1 ZINC000577528129 314387981 /nfs/dbraw/zinc/38/79/81/314387981.db2.gz DLYPHOKWDYSNSV-UHFFFAOYSA-N 2 1 273.424 2.326 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000577608549 314395255 /nfs/dbraw/zinc/39/52/55/314395255.db2.gz KNYFXUCNAPMYII-KBPBESRZSA-N 2 1 289.427 2.031 20 0 CEADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1nccn1-c1ccccc1 ZINC000580417299 322316247 /nfs/dbraw/zinc/31/62/47/322316247.db2.gz MGQNDFPFDGGURI-GDBMZVCRSA-N 2 1 284.407 2.479 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](C)C[NH+](C)C)C1 ZINC000558260564 327084204 /nfs/dbraw/zinc/08/42/04/327084204.db2.gz XJGHZLOZDAGUGP-UXLLHSPISA-N 2 1 275.440 2.362 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](C)C[NH+](C)C)C1 ZINC000558260564 327084205 /nfs/dbraw/zinc/08/42/05/327084205.db2.gz XJGHZLOZDAGUGP-UXLLHSPISA-N 2 1 275.440 2.362 20 0 CEADMP CO[C@@]1(C)C[C@@H]([N@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000584239610 327107091 /nfs/dbraw/zinc/10/70/91/327107091.db2.gz GWMMODLUJRSUJK-ZBFHGGJFSA-N 2 1 279.428 2.488 20 0 CEADMP CO[C@@]1(C)C[C@@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000584239610 327107093 /nfs/dbraw/zinc/10/70/93/327107093.db2.gz GWMMODLUJRSUJK-ZBFHGGJFSA-N 2 1 279.428 2.488 20 0 CEADMP C[NH+](C)CCCCC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000560694647 327337297 /nfs/dbraw/zinc/33/72/97/327337297.db2.gz PZABOXSPLAPCLS-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H](C)O1 ZINC000414519368 533874086 /nfs/dbraw/zinc/87/40/86/533874086.db2.gz UGFAUWPHEUQZEU-GRYCIOLGSA-N 2 1 283.441 2.108 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)[C@H](C)O1 ZINC000414509677 533874570 /nfs/dbraw/zinc/87/45/70/533874570.db2.gz CMOWRVSHYHVDEM-FRRDWIJNSA-N 2 1 263.385 2.051 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000156682327 519715580 /nfs/dbraw/zinc/71/55/80/519715580.db2.gz MAMBYTJQGKNSRP-INIZCTEOSA-N 2 1 277.412 2.450 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000182518650 519719172 /nfs/dbraw/zinc/71/91/72/519719172.db2.gz BVWYHKKELCWIQE-GOSISDBHSA-N 2 1 290.451 2.443 20 0 CEADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000365191843 519880774 /nfs/dbraw/zinc/88/07/74/519880774.db2.gz NMDCLMIEQBNUAU-MGPQQGTHSA-N 2 1 292.427 2.153 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000367881839 520608238 /nfs/dbraw/zinc/60/82/38/520608238.db2.gz VPWBFZHUYKLXSL-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000367881839 520608247 /nfs/dbraw/zinc/60/82/47/520608247.db2.gz VPWBFZHUYKLXSL-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000367881839 520608251 /nfs/dbraw/zinc/60/82/51/520608251.db2.gz VPWBFZHUYKLXSL-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000367881839 520608257 /nfs/dbraw/zinc/60/82/57/520608257.db2.gz VPWBFZHUYKLXSL-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP CCC[NH+](CCC)CCCN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000163874179 521646710 /nfs/dbraw/zinc/64/67/10/521646710.db2.gz AQZDVUBZAKAVGW-HOTGVXAUSA-N 2 1 269.477 2.428 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000163874179 521646712 /nfs/dbraw/zinc/64/67/12/521646712.db2.gz AQZDVUBZAKAVGW-HOTGVXAUSA-N 3 1 269.477 2.428 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000163874179 521646715 /nfs/dbraw/zinc/64/67/15/521646715.db2.gz AQZDVUBZAKAVGW-HOTGVXAUSA-N 3 1 269.477 2.428 20 0 CEADMP Cc1nnc([C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)[nH]1 ZINC000411418415 534588195 /nfs/dbraw/zinc/58/81/95/534588195.db2.gz FWNSNHBLZANYNZ-LBPRGKRZSA-N 2 1 279.432 2.228 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)[C@@H]2CCC[C@H]21 ZINC000367554970 523987930 /nfs/dbraw/zinc/98/79/30/523987930.db2.gz VQVCIGLZUHMQSP-BHYGNILZSA-N 2 1 292.398 2.280 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000049554357 524165309 /nfs/dbraw/zinc/16/53/09/524165309.db2.gz CUHFNFHTVXUGLR-GFCCVEGCSA-N 2 1 252.406 2.068 20 0 CEADMP Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000358226228 524333168 /nfs/dbraw/zinc/33/31/68/524333168.db2.gz CVAXVVYFZBIRLC-RDJZCZTQSA-N 2 1 276.424 2.329 20 0 CEADMP Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC000358226228 524333177 /nfs/dbraw/zinc/33/31/77/524333177.db2.gz CVAXVVYFZBIRLC-RDJZCZTQSA-N 2 1 276.424 2.329 20 0 CEADMP Cc1ccn(C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000366112050 525587307 /nfs/dbraw/zinc/58/73/07/525587307.db2.gz ZLCYSCXKNNJDBS-HNNXBMFYSA-N 2 1 276.428 2.313 20 0 CEADMP Cc1c[nH]nc1C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000365653525 526023335 /nfs/dbraw/zinc/02/33/35/526023335.db2.gz DTRJYVRVCFRNRW-AWEZNQCLSA-N 2 1 288.439 2.414 20 0 CEADMP Cc1cn[nH]c1C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000365653525 526023343 /nfs/dbraw/zinc/02/33/43/526023343.db2.gz DTRJYVRVCFRNRW-AWEZNQCLSA-N 2 1 288.439 2.414 20 0 CEADMP Cc1cn[nH]c1C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000365653525 526023347 /nfs/dbraw/zinc/02/33/47/526023347.db2.gz DTRJYVRVCFRNRW-AWEZNQCLSA-N 2 1 288.439 2.414 20 0 CEADMP Cc1cc(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc[nH+]1 ZINC000364902703 526115599 /nfs/dbraw/zinc/11/55/99/526115599.db2.gz BFDKHFWYUAIETJ-XOKHGSTOSA-N 2 1 289.423 2.113 20 0 CEADMP O[C@H](C[NH2+]Cc1cccc2ccccc21)C[NH+]1CCCC1 ZINC000050871778 526277339 /nfs/dbraw/zinc/27/73/39/526277339.db2.gz JJYYZSZZZJEDMH-QGZVFWFLSA-N 2 1 284.403 2.386 20 0 CEADMP c1ccc(OCC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000363414021 526487176 /nfs/dbraw/zinc/48/71/76/526487176.db2.gz JGNIJEPUDNUOOY-NJAFHUGGSA-N 2 1 286.419 2.482 20 0 CEADMP c1ccc(OCC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000363414021 526487181 /nfs/dbraw/zinc/48/71/81/526487181.db2.gz JGNIJEPUDNUOOY-NJAFHUGGSA-N 2 1 286.419 2.482 20 0 CEADMP c1ccc(OCC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000363414021 526487182 /nfs/dbraw/zinc/48/71/82/526487182.db2.gz JGNIJEPUDNUOOY-NJAFHUGGSA-N 2 1 286.419 2.482 20 0 CEADMP Cc1nc(C)n([C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000363459181 526766292 /nfs/dbraw/zinc/76/62/92/526766292.db2.gz IAOHAUKHQQZQPC-HOTGVXAUSA-N 2 1 291.443 2.016 20 0 CEADMP Cc1nc(C)n([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000363459181 526766296 /nfs/dbraw/zinc/76/62/96/526766296.db2.gz IAOHAUKHQQZQPC-HOTGVXAUSA-N 2 1 291.443 2.016 20 0 CEADMP Cc1nc(C)n([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000363459181 526766303 /nfs/dbraw/zinc/76/63/03/526766303.db2.gz IAOHAUKHQQZQPC-HOTGVXAUSA-N 2 1 291.443 2.016 20 0 CEADMP O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000366344213 527166235 /nfs/dbraw/zinc/16/62/35/527166235.db2.gz FEQGCKACWPMPQC-HUUCEWRRSA-N 2 1 293.455 2.042 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cncs2)[C@@H](C)C1 ZINC000411397104 527755064 /nfs/dbraw/zinc/75/50/64/527755064.db2.gz YBYDUDCQKJKEGU-GXTWGEPZSA-N 2 1 267.442 2.348 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cncs2)[C@@H](C)C1 ZINC000411397104 527755067 /nfs/dbraw/zinc/75/50/67/527755067.db2.gz YBYDUDCQKJKEGU-GXTWGEPZSA-N 2 1 267.442 2.348 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cncs2)[C@@H](C)C1 ZINC000411397104 527755072 /nfs/dbraw/zinc/75/50/72/527755072.db2.gz YBYDUDCQKJKEGU-GXTWGEPZSA-N 2 1 267.442 2.348 20 0 CEADMP CC1(C)Cc2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc2O1 ZINC000357056237 527772821 /nfs/dbraw/zinc/77/28/21/527772821.db2.gz SJWCAZWXPXIEMC-GOEBONIOSA-N 2 1 286.419 2.441 20 0 CEADMP CC1(C)Cc2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc2O1 ZINC000357056237 527772826 /nfs/dbraw/zinc/77/28/26/527772826.db2.gz SJWCAZWXPXIEMC-GOEBONIOSA-N 2 1 286.419 2.441 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000174966021 527837936 /nfs/dbraw/zinc/83/79/36/527837936.db2.gz ALCHJCCLGHUKJG-INIZCTEOSA-N 2 1 267.461 2.136 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2cncs2)C1 ZINC000411305471 527849192 /nfs/dbraw/zinc/84/91/92/527849192.db2.gz JWBGBYDSJIVLBD-CYBMUJFWSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2cncs2)C1 ZINC000411305471 527849201 /nfs/dbraw/zinc/84/92/01/527849201.db2.gz JWBGBYDSJIVLBD-CYBMUJFWSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2cncs2)C1 ZINC000411305471 527849204 /nfs/dbraw/zinc/84/92/04/527849204.db2.gz JWBGBYDSJIVLBD-CYBMUJFWSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2cncs2)C1 ZINC000411305471 527849212 /nfs/dbraw/zinc/84/92/12/527849212.db2.gz JWBGBYDSJIVLBD-CYBMUJFWSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)Nc1cc(C)[nH+]c(CC)n1 ZINC000357816815 527982599 /nfs/dbraw/zinc/98/25/99/527982599.db2.gz YCVJWNSMHOPPRO-CYBMUJFWSA-N 2 1 264.417 2.302 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)Nc1cc(C)[nH+]c(CC)n1 ZINC000357816815 527982601 /nfs/dbraw/zinc/98/26/01/527982601.db2.gz YCVJWNSMHOPPRO-CYBMUJFWSA-N 2 1 264.417 2.302 20 0 CEADMP CCO[C@H]1C[C@H]([N@@H+](C)CCOCC[NH3+])C12CCCCC2 ZINC000357065963 528130782 /nfs/dbraw/zinc/13/07/82/528130782.db2.gz AWFSNRWUMGGVEO-GJZGRUSLSA-N 2 1 284.444 2.021 20 0 CEADMP CC[NH+](CC)CCOC1CC[NH+](Cc2n[nH]cc2C)CC1 ZINC000356118865 528140464 /nfs/dbraw/zinc/14/04/64/528140464.db2.gz YOMMPVBJNFGYHR-UHFFFAOYSA-N 2 1 294.443 2.041 20 0 CEADMP CC[NH+](CC)CCOC1CC[NH+](Cc2[nH]ncc2C)CC1 ZINC000356118865 528140469 /nfs/dbraw/zinc/14/04/69/528140469.db2.gz YOMMPVBJNFGYHR-UHFFFAOYSA-N 2 1 294.443 2.041 20 0 CEADMP CCCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000156168834 528461853 /nfs/dbraw/zinc/46/18/53/528461853.db2.gz LOPJQHPWVAZMOR-GDBMZVCRSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCN(c2nccs2)CC1 ZINC000414819033 528819057 /nfs/dbraw/zinc/81/90/57/528819057.db2.gz XQLQSYMROUSLNQ-ZDUSSCGKSA-N 2 1 282.457 2.219 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)COC ZINC000191500806 528866618 /nfs/dbraw/zinc/86/66/18/528866618.db2.gz KJIPWSLQHBXWIY-ZDUSSCGKSA-N 2 1 253.390 2.192 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)COC ZINC000191500806 528866624 /nfs/dbraw/zinc/86/66/24/528866624.db2.gz KJIPWSLQHBXWIY-ZDUSSCGKSA-N 2 1 253.390 2.192 20 0 CEADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1 ZINC000355957570 529048211 /nfs/dbraw/zinc/04/82/11/529048211.db2.gz ZRBIEWYBTKYQGH-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348123756 538853392 /nfs/dbraw/zinc/85/33/92/538853392.db2.gz MLFTZAAGNWEHSQ-JYJNAYRXSA-N 2 1 266.429 2.002 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000731891373 574605149 /nfs/dbraw/zinc/60/51/49/574605149.db2.gz MIMURCXPKKSDDV-UHFFFAOYSA-N 2 1 297.487 2.299 20 0 CEADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CCCC[NH+]1CCCC1 ZINC000734447840 574714249 /nfs/dbraw/zinc/71/42/49/574714249.db2.gz VTKWZWDPINYAKC-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000735658280 574764214 /nfs/dbraw/zinc/76/42/14/574764214.db2.gz AJAKUQKUSXHAII-UHFFFAOYSA-N 2 1 297.487 2.299 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C[C@H](C)CC2=O)CC1 ZINC000738067338 574850763 /nfs/dbraw/zinc/85/07/63/574850763.db2.gz LSDBHWZRJABDFO-OAHLLOKOSA-N 2 1 295.471 2.256 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC000746676443 575162696 /nfs/dbraw/zinc/16/26/96/575162696.db2.gz WDOMFPWCOOXYCB-AWEZNQCLSA-N 2 1 272.509 2.297 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000749948927 575241002 /nfs/dbraw/zinc/24/10/02/575241002.db2.gz CEAGHZINBKSONR-HOTGVXAUSA-N 2 1 293.455 2.009 20 0 CEADMP CC(C)(C)C(=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000753739611 575338798 /nfs/dbraw/zinc/33/87/98/575338798.db2.gz VGBMDJJVJWAOAS-UHFFFAOYSA-N 2 1 275.396 2.209 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000972480293 614531418 /nfs/dbraw/zinc/53/14/18/614531418.db2.gz ZDJLYNZHUCBQDS-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC(CC)C[N@H+]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000981440604 614557070 /nfs/dbraw/zinc/55/70/70/614557070.db2.gz YLCUCHDRJMRVRT-MRXNPFEDSA-N 2 1 297.487 2.297 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000981332393 614636242 /nfs/dbraw/zinc/63/62/42/614636242.db2.gz WOKQRBLPGZWBKA-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981332393 614636246 /nfs/dbraw/zinc/63/62/46/614636246.db2.gz WOKQRBLPGZWBKA-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981332393 614636250 /nfs/dbraw/zinc/63/62/50/614636250.db2.gz WOKQRBLPGZWBKA-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981524768 614640664 /nfs/dbraw/zinc/64/06/64/614640664.db2.gz HRKJTNAYTYOFPU-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000981524768 614640667 /nfs/dbraw/zinc/64/06/67/614640667.db2.gz HRKJTNAYTYOFPU-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000981524768 614640671 /nfs/dbraw/zinc/64/06/71/614640671.db2.gz HRKJTNAYTYOFPU-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948553630 614656581 /nfs/dbraw/zinc/65/65/81/614656581.db2.gz JIGDMKQKTOZVSH-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000948553630 614656583 /nfs/dbraw/zinc/65/65/83/614656583.db2.gz JIGDMKQKTOZVSH-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000948553630 614656585 /nfs/dbraw/zinc/65/65/85/614656585.db2.gz JIGDMKQKTOZVSH-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](C)CC)CC1 ZINC000948634061 614660497 /nfs/dbraw/zinc/66/04/97/614660497.db2.gz LSYKLZIELQUGFW-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](CCC(C)(C)C)C1 ZINC000949796988 614671021 /nfs/dbraw/zinc/67/10/21/614671021.db2.gz YDDQMCQOLHMGJS-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC(C)C)C1 ZINC000950469669 614676492 /nfs/dbraw/zinc/67/64/92/614676492.db2.gz NZYZWFMJDPPJBD-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC(C)C)C1 ZINC000950469669 614676496 /nfs/dbraw/zinc/67/64/96/614676496.db2.gz NZYZWFMJDPPJBD-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977660679 614810488 /nfs/dbraw/zinc/81/04/88/614810488.db2.gz ZUKSSYDIKSTHRJ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000977660679 614810490 /nfs/dbraw/zinc/81/04/90/614810490.db2.gz ZUKSSYDIKSTHRJ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977660679 614810492 /nfs/dbraw/zinc/81/04/92/614810492.db2.gz ZUKSSYDIKSTHRJ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000957424262 614962999 /nfs/dbraw/zinc/96/29/99/614962999.db2.gz LROFMUQSZHWGAG-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000957424262 614963000 /nfs/dbraw/zinc/96/30/00/614963000.db2.gz LROFMUQSZHWGAG-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000982706584 614982692 /nfs/dbraw/zinc/98/26/92/614982692.db2.gz SYXVHFFZHONFTF-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974733198 615032949 /nfs/dbraw/zinc/03/29/49/615032949.db2.gz RNQPWSBTSWJZFG-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974733198 615032952 /nfs/dbraw/zinc/03/29/52/615032952.db2.gz RNQPWSBTSWJZFG-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000974733198 615032954 /nfs/dbraw/zinc/03/29/54/615032954.db2.gz RNQPWSBTSWJZFG-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000974733198 615032956 /nfs/dbraw/zinc/03/29/56/615032956.db2.gz RNQPWSBTSWJZFG-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968857132 615107039 /nfs/dbraw/zinc/10/70/39/615107039.db2.gz TZEHSCGZDFUPNY-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000968857132 615107040 /nfs/dbraw/zinc/10/70/40/615107040.db2.gz TZEHSCGZDFUPNY-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000968857132 615107041 /nfs/dbraw/zinc/10/70/41/615107041.db2.gz TZEHSCGZDFUPNY-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948770414 615123455 /nfs/dbraw/zinc/12/34/55/615123455.db2.gz HUTASAHWVWGHHO-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000948770414 615123456 /nfs/dbraw/zinc/12/34/56/615123456.db2.gz HUTASAHWVWGHHO-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000948770414 615123457 /nfs/dbraw/zinc/12/34/57/615123457.db2.gz HUTASAHWVWGHHO-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000942052531 615276870 /nfs/dbraw/zinc/27/68/70/615276870.db2.gz GKPDDRSFTLPZMF-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000977214551 615415446 /nfs/dbraw/zinc/41/54/46/615415446.db2.gz FFVAAOJWXZHGPF-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1(O)CCCCC1 ZINC000304330623 622571164 /nfs/dbraw/zinc/57/11/64/622571164.db2.gz UXEMHVDINIEVBW-OAHLLOKOSA-N 2 1 268.445 2.488 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1(O)CCCCC1 ZINC000304330623 622571173 /nfs/dbraw/zinc/57/11/73/622571173.db2.gz UXEMHVDINIEVBW-OAHLLOKOSA-N 2 1 268.445 2.488 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1(O)CCCCC1 ZINC000304330623 622571178 /nfs/dbraw/zinc/57/11/78/622571178.db2.gz UXEMHVDINIEVBW-OAHLLOKOSA-N 2 1 268.445 2.488 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc2nccn2c1 ZINC000932615288 622986529 /nfs/dbraw/zinc/98/65/29/622986529.db2.gz MXXUTEIGLQITCI-ZDUSSCGKSA-N 2 1 272.352 2.146 20 0 CEADMP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000890878489 623034495 /nfs/dbraw/zinc/03/44/95/623034495.db2.gz BNUNSTMINMJHAG-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846222478 623362054 /nfs/dbraw/zinc/36/20/54/623362054.db2.gz DFECJABNGGWVDZ-MRXNPFEDSA-N 2 1 284.444 2.417 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000070171111 623560544 /nfs/dbraw/zinc/56/05/44/623560544.db2.gz KHWZXFQXGNDGIT-NSHDSACASA-N 2 1 253.777 2.296 20 0 CEADMP OCc1c[nH+]ccc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000891780260 623963215 /nfs/dbraw/zinc/96/32/15/623963215.db2.gz VVJIYGHPUFQUAL-QGZVFWFLSA-N 2 1 297.402 2.072 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC000737995738 625031158 /nfs/dbraw/zinc/03/11/58/625031158.db2.gz RSNRJZSMEYVHFQ-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CO[C@]1(C)C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1(C)C ZINC000782183412 625045402 /nfs/dbraw/zinc/04/54/02/625045402.db2.gz KWQKSKHGBSNFPD-GDBMZVCRSA-N 2 1 268.445 2.464 20 0 CEADMP C([NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2)[C@H]1CC12CCSCC2 ZINC000926599036 625223691 /nfs/dbraw/zinc/22/36/91/625223691.db2.gz CLYHVPNAVDNANN-BFHYXJOUSA-N 2 1 266.454 2.204 20 0 CEADMP C([NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2)[C@H]1CC12CCSCC2 ZINC000926599036 625223697 /nfs/dbraw/zinc/22/36/97/625223697.db2.gz CLYHVPNAVDNANN-BFHYXJOUSA-N 2 1 266.454 2.204 20 0 CEADMP CNc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000902079812 634452698 /nfs/dbraw/zinc/45/26/98/634452698.db2.gz ZOWBZDXTFLJZCA-HUUCEWRRSA-N 2 1 259.397 2.445 20 0 CEADMP CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024814455 625830236 /nfs/dbraw/zinc/83/02/36/625830236.db2.gz SZQLENQATGVQKU-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001024814455 625830250 /nfs/dbraw/zinc/83/02/50/625830250.db2.gz SZQLENQATGVQKU-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001024814455 625830289 /nfs/dbraw/zinc/83/02/89/625830289.db2.gz SZQLENQATGVQKU-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CNc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000902065033 634459678 /nfs/dbraw/zinc/45/96/78/634459678.db2.gz YIYZXCPNLMERKU-ZDUSSCGKSA-N 2 1 259.397 2.302 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2CCCO)CC1 ZINC000924571787 625930418 /nfs/dbraw/zinc/93/04/18/625930418.db2.gz WFOPBYAWBYZAFD-GOEBONIOSA-N 2 1 268.445 2.392 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2CCCO)CC1 ZINC000820805771 634532875 /nfs/dbraw/zinc/53/28/75/634532875.db2.gz RGYHIMJUVPBWIK-HIFRSBDPSA-N 2 1 254.418 2.002 20 0 CEADMP Cc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cnc1F ZINC000892621032 627318994 /nfs/dbraw/zinc/31/89/94/627318994.db2.gz BWWAFBTVNQFOAQ-UHFFFAOYSA-N 2 1 277.387 2.493 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C)(O)CC1 ZINC000892669984 627381795 /nfs/dbraw/zinc/38/17/95/627381795.db2.gz YTQKNBDXBQHALL-WXLSXGNJSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C)(O)CC1 ZINC000892669984 627381797 /nfs/dbraw/zinc/38/17/97/627381797.db2.gz YTQKNBDXBQHALL-WXLSXGNJSA-N 2 1 268.445 2.390 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000892759054 627754861 /nfs/dbraw/zinc/75/48/61/627754861.db2.gz RKXCYTSPGCTUIS-UHFFFAOYSA-N 2 1 265.744 2.340 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000314028182 627861223 /nfs/dbraw/zinc/86/12/23/627861223.db2.gz QHCZTWXQSSYLBW-ZOBUZTSGSA-N 2 1 295.471 2.132 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000314028182 627861229 /nfs/dbraw/zinc/86/12/29/627861229.db2.gz QHCZTWXQSSYLBW-ZOBUZTSGSA-N 2 1 295.471 2.132 20 0 CEADMP COc1nccc(CNC[C@H]2CCC[N@H+](C(C)C)C2)c1F ZINC000892945240 627874641 /nfs/dbraw/zinc/87/46/41/627874641.db2.gz ZMBKVOYDEOTPIG-CYBMUJFWSA-N 2 1 295.402 2.439 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007746937 627953112 /nfs/dbraw/zinc/95/31/12/627953112.db2.gz OQVXQAHWPOOTCZ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007746937 627953115 /nfs/dbraw/zinc/95/31/15/627953115.db2.gz OQVXQAHWPOOTCZ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007746937 627953116 /nfs/dbraw/zinc/95/31/16/627953116.db2.gz OQVXQAHWPOOTCZ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1CCCCN[C@H](C)C(=O)OC(C)(C)C ZINC000893029525 627954687 /nfs/dbraw/zinc/95/46/87/627954687.db2.gz MQRDTXUYILQKNZ-GFCCVEGCSA-N 2 1 281.400 2.292 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCC(C)(O)CC2)C[C@H](C)O1 ZINC000893039765 627962559 /nfs/dbraw/zinc/96/25/59/627962559.db2.gz ZXEZHNTXWGQWBZ-RYTJFDOTSA-N 2 1 298.471 2.159 20 0 CEADMP CC[C@@H](CO)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000930459664 628003877 /nfs/dbraw/zinc/00/38/77/628003877.db2.gz HXMRHJHEGDGGDK-ROUUACIJSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@@H](CO)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000930459664 628003882 /nfs/dbraw/zinc/00/38/82/628003882.db2.gz HXMRHJHEGDGGDK-ROUUACIJSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@@H](CO)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000930459664 628003885 /nfs/dbraw/zinc/00/38/85/628003885.db2.gz HXMRHJHEGDGGDK-ROUUACIJSA-N 2 1 288.435 2.355 20 0 CEADMP Cc1cccc(O[C@H](C)C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000925516207 628058654 /nfs/dbraw/zinc/05/86/54/628058654.db2.gz WCXFQJRAOOKQIN-HWASQKLDSA-N 2 1 286.419 2.348 20 0 CEADMP Cc1ccc(O[C@H](C)C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925520864 628075556 /nfs/dbraw/zinc/07/55/56/628075556.db2.gz AOZVNDSRKIMUKE-RMWQOVRUSA-N 2 1 286.419 2.348 20 0 CEADMP Fc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)nc1 ZINC000925557572 628222996 /nfs/dbraw/zinc/22/29/96/628222996.db2.gz CFQUUJPYNDDPEE-HOTGVXAUSA-N 2 1 277.387 2.479 20 0 CEADMP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(C(=O)OC)cc1 ZINC000902405499 634641221 /nfs/dbraw/zinc/64/12/21/634641221.db2.gz IHCNMVMRBGGBHV-CYBMUJFWSA-N 2 1 262.353 2.005 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+]CCCc1cnn(C)c1)c1ccccc1 ZINC000925577737 628253542 /nfs/dbraw/zinc/25/35/42/628253542.db2.gz QHTCVWBKTJFKLD-BBRMVZONSA-N 2 1 272.396 2.031 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC000925586806 628265679 /nfs/dbraw/zinc/26/56/79/628265679.db2.gz FQWKPOKXASKNJT-GJZGRUSLSA-N 2 1 270.461 2.351 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000925600453 628279478 /nfs/dbraw/zinc/27/94/78/628279478.db2.gz WIXDULJMCSCKQU-CYBMUJFWSA-N 2 1 279.453 2.295 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925633136 628329052 /nfs/dbraw/zinc/32/90/52/628329052.db2.gz ZMTVZMJUZYTFAZ-ZIAGYGMSSA-N 2 1 264.344 2.194 20 0 CEADMP CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001026519780 628346912 /nfs/dbraw/zinc/34/69/12/628346912.db2.gz VEZFAMFQIDFZGH-UYSNPLJNSA-N 2 1 295.471 2.144 20 0 CEADMP Cc1csc([C@H](C)C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)n1 ZINC000925647183 628348996 /nfs/dbraw/zinc/34/89/96/628348996.db2.gz ACDWHDMFEAVETN-YUSALJHKSA-N 2 1 253.415 2.285 20 0 CEADMP C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1CCCC[N@H+]1C1CC1 ZINC000925653041 628358073 /nfs/dbraw/zinc/35/80/73/628358073.db2.gz VHBLNYRBULUAHK-CVEARBPZSA-N 2 1 277.456 2.268 20 0 CEADMP C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1CCCC[N@H+]1C1CC1 ZINC000925653045 628358083 /nfs/dbraw/zinc/35/80/83/628358083.db2.gz VHBLNYRBULUAHK-HZPDHXFCSA-N 2 1 277.456 2.268 20 0 CEADMP Cc1cccc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)n1 ZINC000925663563 628378931 /nfs/dbraw/zinc/37/89/31/628378931.db2.gz SXOMQFZFFQEADK-OAHLLOKOSA-N 2 1 259.397 2.197 20 0 CEADMP COc1cc(F)cc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925684317 628489395 /nfs/dbraw/zinc/48/93/95/628489395.db2.gz GWXQBAQYQNKCQE-IAQYHMDHSA-N 2 1 280.387 2.495 20 0 CEADMP c1cncc([C@@H]2C[C@@H]([NH2+][C@H]3CC[NH2+]C34CCC4)CCO2)c1 ZINC000925688167 628497217 /nfs/dbraw/zinc/49/72/17/628497217.db2.gz DOENLYCKWAHAEE-JYJNAYRXSA-N 2 1 287.407 2.176 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2cccnc2)C1 ZINC000925691486 628507966 /nfs/dbraw/zinc/50/79/66/628507966.db2.gz NGDQEVJTSMWSQJ-QCEMKRCNSA-N 2 1 275.396 2.032 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000925699065 628535881 /nfs/dbraw/zinc/53/58/81/628535881.db2.gz MQHYCVAWIMDMPQ-GJZGRUSLSA-N 2 1 259.397 2.376 20 0 CEADMP c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCCC3)CN2 ZINC000925703977 628547255 /nfs/dbraw/zinc/54/72/55/628547255.db2.gz WQSXTHIABTUINM-GDBMZVCRSA-N 2 1 271.408 2.288 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925704258 628547781 /nfs/dbraw/zinc/54/77/81/628547781.db2.gz DJJLMDWSOXXULI-CABCVRRESA-N 2 1 274.412 2.047 20 0 CEADMP COC1CC(CC[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])C1 ZINC000925714451 628570786 /nfs/dbraw/zinc/57/07/86/628570786.db2.gz RGDWDHQUAHPSKM-QTISTPMNSA-N 2 1 262.397 2.480 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](N[C@H]3CC[NH2+]C3(C)C)C2)cc1 ZINC000925721878 628589781 /nfs/dbraw/zinc/58/97/81/628589781.db2.gz HNNRCXWRHCRBDF-SJORKVTESA-N 2 1 287.451 2.299 20 0 CEADMP COc1cccc(C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2CC2)c1 ZINC000902477917 634668561 /nfs/dbraw/zinc/66/85/61/634668561.db2.gz VIQFFCYEWWFDSL-BZZMCLGOSA-N 2 1 286.419 2.499 20 0 CEADMP Nc1cc[nH+]c2c1CN(C[C@H]1CCC(F)(F)C1)CC2 ZINC000931517753 628654751 /nfs/dbraw/zinc/65/47/51/628654751.db2.gz LEWBDVLOMWNTOG-JTQLQIEISA-N 2 1 267.323 2.457 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC2(C)C)C12CCCC2 ZINC000902450451 634673012 /nfs/dbraw/zinc/67/30/12/634673012.db2.gz SEQLHAIGFQRTOK-MELADBBJSA-N 2 1 266.429 2.312 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CC2(C)C)C12CCCC2 ZINC000902450448 634673068 /nfs/dbraw/zinc/67/30/68/634673068.db2.gz SEQLHAIGFQRTOK-HZSPNIEDSA-N 2 1 266.429 2.312 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)[C@@H]1CCCC[NH2+]1 ZINC000925734331 628692494 /nfs/dbraw/zinc/69/24/94/628692494.db2.gz QPTDWUVYMTVANC-XHSDSOJGSA-N 2 1 296.455 2.082 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2nonc2c1 ZINC000902456856 634677883 /nfs/dbraw/zinc/67/78/83/634677883.db2.gz QDOUUICXANJGKQ-MLGOLLRUSA-N 2 1 296.374 2.271 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[N@@H+]1CCC(C)(C)C1 ZINC000902457946 634678600 /nfs/dbraw/zinc/67/86/00/634678600.db2.gz VUVKJUYTYZATOK-CYBMUJFWSA-N 2 1 290.455 2.231 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[N@H+]1CCC(C)(C)C1 ZINC000902457946 634678603 /nfs/dbraw/zinc/67/86/03/634678603.db2.gz VUVKJUYTYZATOK-CYBMUJFWSA-N 2 1 290.455 2.231 20 0 CEADMP CCC1([NH3+])CCN([C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000925757766 628733698 /nfs/dbraw/zinc/73/36/98/628733698.db2.gz JKXKEIMFPAGHKE-QLFBSQMISA-N 2 1 265.445 2.063 20 0 CEADMP Nc1cc[nH+]c(CN[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000925767895 628758568 /nfs/dbraw/zinc/75/85/68/628758568.db2.gz RAXILLMMZMBJBS-INIZCTEOSA-N 2 1 270.380 2.234 20 0 CEADMP COc1ccc2cc(C[NH2+]CC3([NH3+])CC3)ccc2c1 ZINC000258954919 628785788 /nfs/dbraw/zinc/78/57/88/628785788.db2.gz ACYHRDCRILUHIC-UHFFFAOYSA-N 2 1 256.349 2.429 20 0 CEADMP C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902466958 634685101 /nfs/dbraw/zinc/68/51/01/634685101.db2.gz JSVZFTLQJUXZSE-IKLKHMQRSA-N 2 1 299.462 2.380 20 0 CEADMP Clc1c[nH+]ccc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000094272595 628807623 /nfs/dbraw/zinc/80/76/23/628807623.db2.gz LCNMTAYBNSFNFW-MNOVXSKESA-N 2 1 267.760 2.010 20 0 CEADMP Clc1c[nH+]ccc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000094272595 628807626 /nfs/dbraw/zinc/80/76/26/628807626.db2.gz LCNMTAYBNSFNFW-MNOVXSKESA-N 2 1 267.760 2.010 20 0 CEADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(C)C ZINC000902470811 634687073 /nfs/dbraw/zinc/68/70/73/634687073.db2.gz HBWDJPNNFPXDAI-VYDRJRHOSA-N 2 1 266.429 2.453 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000227735106 628919141 /nfs/dbraw/zinc/91/91/41/628919141.db2.gz DWIHQEWTBLPQTC-HUUCEWRRSA-N 2 1 250.386 2.025 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc[nH]1 ZINC000902502926 634693379 /nfs/dbraw/zinc/69/33/79/634693379.db2.gz VQSJLMHSUCVGRO-RVSPLBMKSA-N 2 1 298.390 2.316 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1cc2ccccc2[nH]1 ZINC000925832660 628927246 /nfs/dbraw/zinc/92/72/46/628927246.db2.gz SEEYQOJXKSLAQD-ZDUSSCGKSA-N 2 1 287.407 2.275 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000821362004 634696116 /nfs/dbraw/zinc/69/61/16/634696116.db2.gz BKEZFCJJFNATDZ-OAHLLOKOSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@@H]1CC([NH2+]CCCCC[NH+]2CCNCC2)C[C@@H](C)C1 ZINC000925843184 628945470 /nfs/dbraw/zinc/94/54/70/628945470.db2.gz CYCJITZETKINJO-HOTGVXAUSA-N 2 1 281.488 2.476 20 0 CEADMP CC[C@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925843578 628945914 /nfs/dbraw/zinc/94/59/14/628945914.db2.gz FMFYNERGBHNEHX-JKSUJKDBSA-N 2 1 267.461 2.230 20 0 CEADMP CC[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)C(C)C ZINC000925848993 628953673 /nfs/dbraw/zinc/95/36/73/628953673.db2.gz MOMDZLBGZJJYJM-OAHLLOKOSA-N 2 1 255.450 2.086 20 0 CEADMP CC1([NH+]2CCC2)CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925861802 628962056 /nfs/dbraw/zinc/96/20/56/628962056.db2.gz SSICTSDRVIFHEO-HWOWSKLDSA-N 2 1 277.456 2.268 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000925874189 628973346 /nfs/dbraw/zinc/97/33/46/628973346.db2.gz PEBUQOXDUVAEPU-LLVKDONJSA-N 2 1 299.422 2.310 20 0 CEADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2nc3c(s2)COCC3)C1 ZINC000925879655 628978829 /nfs/dbraw/zinc/97/88/29/628978829.db2.gz BIHMNHYXFRZZCF-WDEREUQCSA-N 2 1 295.452 2.211 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(O)cc(F)c1 ZINC000924871526 629139359 /nfs/dbraw/zinc/13/93/59/629139359.db2.gz DTWBEQBDSHYCAC-SNVBAGLBSA-N 2 1 263.316 2.387 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(N)c2)[C@H](C)C1 ZINC000261718341 629149393 /nfs/dbraw/zinc/14/93/93/629149393.db2.gz QTODPYJKQUKLPR-CJNGLKHVSA-N 2 1 261.413 2.431 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(N)c2)[C@H](C)C1 ZINC000261718341 629149397 /nfs/dbraw/zinc/14/93/97/629149397.db2.gz QTODPYJKQUKLPR-CJNGLKHVSA-N 2 1 261.413 2.431 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(N)c2)[C@H](C)C1 ZINC000261718341 629149401 /nfs/dbraw/zinc/14/94/01/629149401.db2.gz QTODPYJKQUKLPR-CJNGLKHVSA-N 2 1 261.413 2.431 20 0 CEADMP Fc1cccc(OCCC[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000902518748 634712219 /nfs/dbraw/zinc/71/22/19/634712219.db2.gz UUHMFHAYIRBPPZ-OAHLLOKOSA-N 2 1 278.371 2.469 20 0 CEADMP Fc1cccc(OCCC[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000902518746 634712230 /nfs/dbraw/zinc/71/22/30/634712230.db2.gz UUHMFHAYIRBPPZ-HNNXBMFYSA-N 2 1 278.371 2.469 20 0 CEADMP OC[C@@]1(c2ccccc2)CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261728974 629164808 /nfs/dbraw/zinc/16/48/08/629164808.db2.gz KBYZGCIUMUOTKH-GOSISDBHSA-N 2 1 288.435 2.012 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000924917294 629252570 /nfs/dbraw/zinc/25/25/70/629252570.db2.gz PHIFDRJTPQCGKW-BHYGNILZSA-N 2 1 292.471 2.451 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000924917294 629252572 /nfs/dbraw/zinc/25/25/72/629252572.db2.gz PHIFDRJTPQCGKW-BHYGNILZSA-N 2 1 292.471 2.451 20 0 CEADMP C[C@H]([NH2+]Cc1nccn1C)c1cccc(C[NH+](C)C)c1 ZINC000924939978 629280756 /nfs/dbraw/zinc/28/07/56/629280756.db2.gz VEAVUTAGPUVWAM-ZDUSSCGKSA-N 2 1 272.396 2.333 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000924952601 629289710 /nfs/dbraw/zinc/28/97/10/629289710.db2.gz NSQRSRNBAHQLNA-NEPJUHHUSA-N 2 1 274.368 2.279 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000924986281 629322509 /nfs/dbraw/zinc/32/25/09/629322509.db2.gz JCOASBVVNNRRDG-INYHJIAOSA-N 2 1 285.435 2.195 20 0 CEADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000924994841 629332482 /nfs/dbraw/zinc/33/24/82/629332482.db2.gz SIDFVJJNBMUOPW-RBSFLKMASA-N 2 1 254.418 2.024 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000262026857 629451180 /nfs/dbraw/zinc/45/11/80/629451180.db2.gz NPUFBTAVJLUHOS-UHFFFAOYSA-N 2 1 292.379 2.032 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@]2(C)Br)C1 ZINC000894457236 629471189 /nfs/dbraw/zinc/47/11/89/629471189.db2.gz WNYKHWWANVBKDW-AGIUHOORSA-N 2 1 289.261 2.480 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCC1)CC1CC[NH+](C)CC1 ZINC000894472106 629480629 /nfs/dbraw/zinc/48/06/29/629480629.db2.gz OLUCUFAFLNFJEW-UHFFFAOYSA-N 3 1 267.461 2.136 20 0 CEADMP CC[N@H+](CCCN1CCCC1)CC1CC[NH+](C)CC1 ZINC000894472106 629480632 /nfs/dbraw/zinc/48/06/32/629480632.db2.gz OLUCUFAFLNFJEW-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP CC[N@@H+](CCCN1CCCC1)CC1CC[NH+](C)CC1 ZINC000894472106 629480634 /nfs/dbraw/zinc/48/06/34/629480634.db2.gz OLUCUFAFLNFJEW-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP CCn1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000894479340 629485269 /nfs/dbraw/zinc/48/52/69/629485269.db2.gz ODKOSBHVOSYXPC-MRXNPFEDSA-N 2 1 290.455 2.375 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)CC1 ZINC000894485986 629488503 /nfs/dbraw/zinc/48/85/03/629488503.db2.gz ROWINNSILWSHRM-IRXDYDNUSA-N 2 1 280.456 2.467 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cn3ccnc3s2)C1 ZINC000894496936 629490847 /nfs/dbraw/zinc/49/08/47/629490847.db2.gz ROEBBAHQAWCVPZ-JSGCOSHPSA-N 2 1 290.436 2.312 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cn3ccnc3s2)C1 ZINC000894496936 629490851 /nfs/dbraw/zinc/49/08/51/629490851.db2.gz ROEBBAHQAWCVPZ-JSGCOSHPSA-N 2 1 290.436 2.312 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)CC1 ZINC000894581276 629544776 /nfs/dbraw/zinc/54/47/76/629544776.db2.gz NJFNOBPKYRVIIH-OLZOCXBDSA-N 2 1 258.356 2.305 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)CC1 ZINC000894633117 629567714 /nfs/dbraw/zinc/56/77/14/629567714.db2.gz DXPJUBLRONPDMB-MRXNPFEDSA-N 2 1 278.440 2.219 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894783582 629639797 /nfs/dbraw/zinc/63/97/97/629639797.db2.gz VZPQPMSYZPMHPK-XHDPSFHLSA-N 2 1 288.395 2.041 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894783582 629639801 /nfs/dbraw/zinc/63/98/01/629639801.db2.gz VZPQPMSYZPMHPK-XHDPSFHLSA-N 2 1 288.395 2.041 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894783582 629639804 /nfs/dbraw/zinc/63/98/04/629639804.db2.gz VZPQPMSYZPMHPK-XHDPSFHLSA-N 2 1 288.395 2.041 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894783582 629639807 /nfs/dbraw/zinc/63/98/07/629639807.db2.gz VZPQPMSYZPMHPK-XHDPSFHLSA-N 2 1 288.395 2.041 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928437682 629664696 /nfs/dbraw/zinc/66/46/96/629664696.db2.gz CPPHIXXTKOZVEY-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP Cc1noc2ncc(C[NH2+]CCCC[N@H+](C)C3CC3)cc12 ZINC000894967451 629771650 /nfs/dbraw/zinc/77/16/50/629771650.db2.gz PJTIPIQMHFSCRC-UHFFFAOYSA-N 2 1 288.395 2.495 20 0 CEADMP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCC1 ZINC000796340943 629856808 /nfs/dbraw/zinc/85/68/08/629856808.db2.gz RCZLQYUYCMBTQC-JTQLQIEISA-N 2 1 253.415 2.483 20 0 CEADMP CCNC(NCCCC[N@H+]1CCC[C@H](C)C1)=[NH+]CC ZINC000066243222 629922401 /nfs/dbraw/zinc/92/24/01/629922401.db2.gz VLUBOVACFZXUFH-AWEZNQCLSA-N 2 1 268.449 2.074 20 0 CEADMP COc1ccc(Cl)c(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000262161705 629979978 /nfs/dbraw/zinc/97/99/78/629979978.db2.gz SSUQDDRVILUZPW-SNVBAGLBSA-N 2 1 254.761 2.129 20 0 CEADMP COc1ccc(Cl)c(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000262161705 629979972 /nfs/dbraw/zinc/97/99/72/629979972.db2.gz SSUQDDRVILUZPW-SNVBAGLBSA-N 2 1 254.761 2.129 20 0 CEADMP Cc1ccnc(N)c1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895556168 630247864 /nfs/dbraw/zinc/24/78/64/630247864.db2.gz GAOPITZQVWVFEW-CQSZACIVSA-N 2 1 297.406 2.078 20 0 CEADMP Cc1ccnc(N)c1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895556168 630247867 /nfs/dbraw/zinc/24/78/67/630247867.db2.gz GAOPITZQVWVFEW-CQSZACIVSA-N 2 1 297.406 2.078 20 0 CEADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000895924376 630404815 /nfs/dbraw/zinc/40/48/15/630404815.db2.gz QFGQSWURYPTQFU-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP COCCOc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903977074 635395052 /nfs/dbraw/zinc/39/50/52/635395052.db2.gz IIYMFWIONXEHDS-GDBMZVCRSA-N 2 1 292.423 2.129 20 0 CEADMP CCO[C@H](C[NH2+]CCc1cc(C)cc(C)c1)C[NH+](C)C ZINC000896877674 630698774 /nfs/dbraw/zinc/69/87/74/630698774.db2.gz LOLIMTABEXMJSV-QGZVFWFLSA-N 2 1 278.440 2.402 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+](CCO)C1CCCC1 ZINC000904301211 635554345 /nfs/dbraw/zinc/55/43/45/635554345.db2.gz BATHBAAPSFHBJF-ZDUSSCGKSA-N 2 1 256.434 2.377 20 0 CEADMP CC[N@@H+](C)C1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000985468718 631096680 /nfs/dbraw/zinc/09/66/80/631096680.db2.gz AKBMNAWXFFOHNR-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000985468718 631096683 /nfs/dbraw/zinc/09/66/83/631096683.db2.gz AKBMNAWXFFOHNR-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000985468718 631096685 /nfs/dbraw/zinc/09/66/85/631096685.db2.gz AKBMNAWXFFOHNR-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[N@@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000985648670 631167045 /nfs/dbraw/zinc/16/70/45/631167045.db2.gz XHHYZQJSGJFMAA-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000985648670 631167048 /nfs/dbraw/zinc/16/70/48/631167048.db2.gz XHHYZQJSGJFMAA-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000985648670 631167049 /nfs/dbraw/zinc/16/70/49/631167049.db2.gz XHHYZQJSGJFMAA-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC000985803905 631184000 /nfs/dbraw/zinc/18/40/00/631184000.db2.gz MBGNLFDRJNIPDY-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000985803905 631184002 /nfs/dbraw/zinc/18/40/02/631184002.db2.gz MBGNLFDRJNIPDY-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000985803905 631184004 /nfs/dbraw/zinc/18/40/04/631184004.db2.gz MBGNLFDRJNIPDY-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP COc1ccccc1/C=C/C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421294 635633012 /nfs/dbraw/zinc/63/30/12/635633012.db2.gz XCPJJNWHUURDPN-INCBCAAFSA-N 2 1 272.392 2.250 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421294 635633015 /nfs/dbraw/zinc/63/30/15/635633015.db2.gz XCPJJNWHUURDPN-INCBCAAFSA-N 2 1 272.392 2.250 20 0 CEADMP CCC(CC)NC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000864467269 631683480 /nfs/dbraw/zinc/68/34/80/631683480.db2.gz URMZLPQVEXIKHY-LBPRGKRZSA-N 2 1 254.422 2.021 20 0 CEADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000785729272 631728141 /nfs/dbraw/zinc/72/81/41/631728141.db2.gz DXGTXUACUVNDNC-RBSFLKMASA-N 2 1 282.428 2.277 20 0 CEADMP C[C@H]1CC2(CC([NH2+]Cc3c[nH+]ccc3N(C)C)C2)CO1 ZINC000897779444 631912393 /nfs/dbraw/zinc/91/23/93/631912393.db2.gz QDFDGACZLDMDDV-YGONEPDPSA-N 2 1 275.396 2.195 20 0 CEADMP C[C@@H](Cc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000897967639 631995206 /nfs/dbraw/zinc/99/52/06/631995206.db2.gz VQPUBRDAGXCCSI-DZGCQCFKSA-N 2 1 261.413 2.475 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000898035760 632029819 /nfs/dbraw/zinc/02/98/19/632029819.db2.gz ZXJNFCWOISRBNH-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000898035760 632029829 /nfs/dbraw/zinc/02/98/29/632029829.db2.gz ZXJNFCWOISRBNH-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000898035760 632029834 /nfs/dbraw/zinc/02/98/34/632029834.db2.gz ZXJNFCWOISRBNH-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc(CO)cc1 ZINC000898306228 632164554 /nfs/dbraw/zinc/16/45/54/632164554.db2.gz GYKMULVCHFEATR-UHFFFAOYSA-N 2 1 264.413 2.199 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc(CO)cc1 ZINC000898306228 632164556 /nfs/dbraw/zinc/16/45/56/632164556.db2.gz GYKMULVCHFEATR-UHFFFAOYSA-N 2 1 264.413 2.199 20 0 CEADMP COC(=O)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CC1CCCC1 ZINC000898344245 632173954 /nfs/dbraw/zinc/17/39/54/632173954.db2.gz FQZVRYGZPCUINP-BPUTZDHNSA-N 2 1 296.455 2.428 20 0 CEADMP CCON1CCC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000323103280 632284001 /nfs/dbraw/zinc/28/40/01/632284001.db2.gz DGOPBWKMNAEIQU-HNNXBMFYSA-N 2 1 283.460 2.256 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccc(F)cc1F ZINC000841063183 632373446 /nfs/dbraw/zinc/37/34/46/632373446.db2.gz JOPAFBWJLJUPTP-QMTHXVAHSA-N 2 1 254.324 2.237 20 0 CEADMP CCO[C@H](C[NH2+][C@H](C)Cc1ccsc1)C[NH+](C)C ZINC000926965100 632393868 /nfs/dbraw/zinc/39/38/68/632393868.db2.gz OVGOBBKJQCNLIO-TZMCWYRMSA-N 2 1 270.442 2.235 20 0 CEADMP CCO[C@H](C[NH2+][C@@H](C)c1cccs1)CN(C)C ZINC000926966929 632396731 /nfs/dbraw/zinc/39/67/31/632396731.db2.gz YWMXYYAFNSSLJA-NWDGAFQWSA-N 2 1 256.415 2.365 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCCO2)[C@@H]2CCC[C@@H]21 ZINC000927016025 632416346 /nfs/dbraw/zinc/41/63/46/632416346.db2.gz DXDZUCNZMPFORO-VGWMRTNUSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnnn1C ZINC000924685792 632418582 /nfs/dbraw/zinc/41/85/82/632418582.db2.gz QGFQCYLOFHCFAT-ZNMIVQPWSA-N 2 1 293.459 2.224 20 0 CEADMP Cc1[nH+]ccn1-c1ncccc1CNc1cc[nH+]c(C)c1 ZINC000811825709 632451537 /nfs/dbraw/zinc/45/15/37/632451537.db2.gz MQVQORILCUKEDW-UHFFFAOYSA-N 2 1 279.347 2.313 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H]2c3ccccc3CC[C@H]2O)CC1 ZINC000927140221 632570477 /nfs/dbraw/zinc/57/04/77/632570477.db2.gz CVJHDNJKSZJGFS-MSOLQXFVSA-N 2 1 288.435 2.499 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2([C@@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC000927164913 632695817 /nfs/dbraw/zinc/69/58/17/632695817.db2.gz YLQUTBCJORDNCN-MCIONIFRSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2([C@@H]3CCCCO3)CC2)CC[N@H+]1C ZINC000927164913 632695822 /nfs/dbraw/zinc/69/58/22/632695822.db2.gz YLQUTBCJORDNCN-MCIONIFRSA-N 2 1 252.402 2.160 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])N[C@H](C)C2CC2)C1 ZINC000899271524 632768041 /nfs/dbraw/zinc/76/80/41/632768041.db2.gz ZHUROCWSRIQHKK-KGLIPLIRSA-N 2 1 280.460 2.267 20 0 CEADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC2(CC1)OCCCO2 ZINC000815155743 632974053 /nfs/dbraw/zinc/97/40/53/632974053.db2.gz WOHQZDDMAZZGFR-HNNXBMFYSA-N 2 1 282.428 2.090 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(CC1)OCCCO2 ZINC000815155743 632974057 /nfs/dbraw/zinc/97/40/57/632974057.db2.gz WOHQZDDMAZZGFR-HNNXBMFYSA-N 2 1 282.428 2.090 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(CC1)OCCCO2 ZINC000815155915 632974148 /nfs/dbraw/zinc/97/41/48/632974148.db2.gz ZFPHHYNUSFDOMC-UHFFFAOYSA-N 2 1 293.411 2.201 20 0 CEADMP CC[C@H](C)C[C@H]([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000900017282 633180093 /nfs/dbraw/zinc/18/00/93/633180093.db2.gz BBKCSTGSBROCIW-JQWIXIFHSA-N 2 1 266.389 2.048 20 0 CEADMP C[NH2+][C@H](CNc1cc(C)[nH+]c(C)n1)Cc1ccccc1 ZINC000900020403 633184390 /nfs/dbraw/zinc/18/43/90/633184390.db2.gz NIWYJOCSZVZFEY-HNNXBMFYSA-N 2 1 270.380 2.336 20 0 CEADMP Cn1ncc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1Cl ZINC000816610953 633422008 /nfs/dbraw/zinc/42/20/08/633422008.db2.gz DMUHFGAEFUGRAE-CYBMUJFWSA-N 2 1 296.846 2.237 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000816648195 633456832 /nfs/dbraw/zinc/45/68/32/633456832.db2.gz GKRJYOZGQQYWKD-KGLIPLIRSA-N 2 1 262.397 2.467 20 0 CEADMP C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000817906062 633766315 /nfs/dbraw/zinc/76/63/15/633766315.db2.gz XJCOYRIWVVNCCK-BFJAYTPKSA-N 2 1 262.397 2.229 20 0 CEADMP CC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817913690 633771899 /nfs/dbraw/zinc/77/18/99/633771899.db2.gz QRVYCKNOGBFEGE-OWCLPIDISA-N 2 1 262.397 2.014 20 0 CEADMP CC[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000817916146 633774687 /nfs/dbraw/zinc/77/46/87/633774687.db2.gz AFBBWAWBECMTGE-HRCADAONSA-N 2 1 280.387 2.153 20 0 CEADMP C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000817928361 633783704 /nfs/dbraw/zinc/78/37/04/633783704.db2.gz WCQRBZYAYOYOQA-DJIMGWMZSA-N 2 1 276.424 2.100 20 0 CEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000817959882 633800911 /nfs/dbraw/zinc/80/09/11/633800911.db2.gz JUWWGLBSTZYIQX-IAQYHMDHSA-N 2 1 289.379 2.031 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000817958370 633801869 /nfs/dbraw/zinc/80/18/69/633801869.db2.gz IWSXLNDEPXFIIT-CJNGLKHVSA-N 2 1 289.423 2.447 20 0 CEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Cl)c(N)c(Cl)c1 ZINC000817977276 633819798 /nfs/dbraw/zinc/81/97/98/633819798.db2.gz GAAZYCVORXPEEA-HEXRFXHZSA-N 2 1 286.206 2.444 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000817977841 633821145 /nfs/dbraw/zinc/82/11/45/633821145.db2.gz QGOCFOMPKNIBKO-AVGNSLFASA-N 2 1 275.396 2.200 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)c(COC)c1 ZINC000817979747 633822861 /nfs/dbraw/zinc/82/28/61/633822861.db2.gz NTWOEIBJWUKSQK-SMDDNHRTSA-N 2 1 266.385 2.230 20 0 CEADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000817982268 633824809 /nfs/dbraw/zinc/82/48/09/633824809.db2.gz QKBRSQFAKWGQBI-GXTWGEPZSA-N 2 1 266.360 2.163 20 0 CEADMP CC(C)CC[C@@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000819058945 634054321 /nfs/dbraw/zinc/05/43/21/634054321.db2.gz AFCZDGVEISPTTL-SJORKVTESA-N 2 1 298.471 2.017 20 0 CEADMP CSCC[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000819085912 634064018 /nfs/dbraw/zinc/06/40/18/634064018.db2.gz JNSXTKJZSDHYOQ-HOCLYGCPSA-N 2 1 296.480 2.211 20 0 CEADMP CSCC[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000819085912 634064022 /nfs/dbraw/zinc/06/40/22/634064022.db2.gz JNSXTKJZSDHYOQ-HOCLYGCPSA-N 2 1 296.480 2.211 20 0 CEADMP CSCC[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000819085906 634064126 /nfs/dbraw/zinc/06/41/26/634064126.db2.gz JNSXTKJZSDHYOQ-GDBMZVCRSA-N 2 1 296.480 2.211 20 0 CEADMP CSCC[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000819085906 634064130 /nfs/dbraw/zinc/06/41/30/634064130.db2.gz JNSXTKJZSDHYOQ-GDBMZVCRSA-N 2 1 296.480 2.211 20 0 CEADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1F ZINC000819277628 634125018 /nfs/dbraw/zinc/12/50/18/634125018.db2.gz DRJMJIZWWXWMLI-KVULBXGLSA-N 2 1 292.398 2.466 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902791045 634834592 /nfs/dbraw/zinc/83/45/92/634834592.db2.gz SJZRHCFEYCFXND-OSLXHZNNSA-N 2 1 266.429 2.120 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902799153 634838765 /nfs/dbraw/zinc/83/87/65/634838765.db2.gz AGHRROYZJPWCEI-YYIAUSFCSA-N 2 1 280.456 2.392 20 0 CEADMP C[N@@H+](CCC[NH2+][C@H]1CCO[C@]12CCOC2)C1CCCCC1 ZINC000903062917 634951916 /nfs/dbraw/zinc/95/19/16/634951916.db2.gz ZAKDFUWCJJQWFR-IRXDYDNUSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@H](CC[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903084640 634962223 /nfs/dbraw/zinc/96/22/23/634962223.db2.gz ZSQFOLVXCXZUNZ-WPXLMEDKSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903084640 634962224 /nfs/dbraw/zinc/96/22/24/634962224.db2.gz ZSQFOLVXCXZUNZ-WPXLMEDKSA-N 3 1 265.445 2.074 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903084640 634962225 /nfs/dbraw/zinc/96/22/25/634962225.db2.gz ZSQFOLVXCXZUNZ-WPXLMEDKSA-N 3 1 265.445 2.074 20 0 CEADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903110215 634973264 /nfs/dbraw/zinc/97/32/64/634973264.db2.gz AXNBLOVVSWZDBS-SHJGAOCMSA-N 2 1 289.467 2.217 20 0 CEADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903110215 634973265 /nfs/dbraw/zinc/97/32/65/634973265.db2.gz AXNBLOVVSWZDBS-SHJGAOCMSA-N 2 1 289.467 2.217 20 0 CEADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903110215 634973267 /nfs/dbraw/zinc/97/32/67/634973267.db2.gz AXNBLOVVSWZDBS-SHJGAOCMSA-N 2 1 289.467 2.217 20 0 CEADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903110215 634973269 /nfs/dbraw/zinc/97/32/69/634973269.db2.gz AXNBLOVVSWZDBS-SHJGAOCMSA-N 2 1 289.467 2.217 20 0 CEADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903110215 634973272 /nfs/dbraw/zinc/97/32/72/634973272.db2.gz AXNBLOVVSWZDBS-SHJGAOCMSA-N 2 1 289.467 2.217 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903093745 634975012 /nfs/dbraw/zinc/97/50/12/634975012.db2.gz UFBFYTPCHJCDKL-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP CCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cn1 ZINC000903121614 634980823 /nfs/dbraw/zinc/98/08/23/634980823.db2.gz SDWZVDCUICQXKM-VHRNVKJDSA-N 2 1 274.412 2.150 20 0 CEADMP CCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cn1 ZINC000903121614 634980825 /nfs/dbraw/zinc/98/08/25/634980825.db2.gz SDWZVDCUICQXKM-VHRNVKJDSA-N 2 1 274.412 2.150 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCOC23CCCC3)CCCO1 ZINC000903158511 634992908 /nfs/dbraw/zinc/99/29/08/634992908.db2.gz BDTOVFVNQZVWTM-HOTGVXAUSA-N 2 1 296.455 2.179 20 0 CEADMP CN(C)c1cc[nH+]c(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000903197670 635007731 /nfs/dbraw/zinc/00/77/31/635007731.db2.gz SJVNSXFGHJQGHB-ZDUSSCGKSA-N 2 1 276.428 2.110 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@H](C)O1 ZINC000903210213 635016772 /nfs/dbraw/zinc/01/67/72/635016772.db2.gz VGFXBSZYDGFVCH-WKLIWOEOSA-N 2 1 264.413 2.300 20 0 CEADMP CO[C@H](C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CC1 ZINC000823015688 635048828 /nfs/dbraw/zinc/04/88/28/635048828.db2.gz IVZDVPVVGUIYFO-OAHLLOKOSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CC[N@@H+]3C)CC2)C1 ZINC000903321868 635055762 /nfs/dbraw/zinc/05/57/62/635055762.db2.gz JEAUADKOIOLPTG-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CC[N@H+]3C)CC2)C1 ZINC000903321868 635055768 /nfs/dbraw/zinc/05/57/68/635055768.db2.gz JEAUADKOIOLPTG-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]([NH2+]Cc1cn(C)cn1)c1cccc(C[NH+](C)C)c1 ZINC000903353024 635081288 /nfs/dbraw/zinc/08/12/88/635081288.db2.gz YZDURHYJAPPUIB-CYBMUJFWSA-N 2 1 272.396 2.333 20 0 CEADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CCOC1 ZINC000903385198 635095643 /nfs/dbraw/zinc/09/56/43/635095643.db2.gz WDWRJVSREAQXIQ-IMJJTQAJSA-N 2 1 277.412 2.089 20 0 CEADMP CCc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425974 635112939 /nfs/dbraw/zinc/11/29/39/635112939.db2.gz CUZAEXVKGNMEFW-HIFRSBDPSA-N 2 1 289.423 2.247 20 0 CEADMP C[N@@H+](CCOc1ccccc1F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903429906 635113885 /nfs/dbraw/zinc/11/38/85/635113885.db2.gz KVTDWJWWOFODMJ-OLZOCXBDSA-N 2 1 266.360 2.264 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000903431632 635114872 /nfs/dbraw/zinc/11/48/72/635114872.db2.gz SUQRTNSBQULKDT-PWSUYJOCSA-N 2 1 254.324 2.252 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000903431632 635114874 /nfs/dbraw/zinc/11/48/74/635114874.db2.gz SUQRTNSBQULKDT-PWSUYJOCSA-N 2 1 254.324 2.252 20 0 CEADMP COc1ccccc1[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903440458 635119840 /nfs/dbraw/zinc/11/98/40/635119840.db2.gz YSINFWOCNTTYHT-ILXRZTDVSA-N 2 1 274.408 2.340 20 0 CEADMP C[C@H](c1ncccn1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000903454033 635138008 /nfs/dbraw/zinc/13/80/08/635138008.db2.gz RVQDHQHSYPXWOC-OCCSQVGLSA-N 2 1 260.385 2.002 20 0 CEADMP Cc1csc([C@H]2CC[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)n1 ZINC000903478300 635147418 /nfs/dbraw/zinc/14/74/18/635147418.db2.gz IDUXSJDKWZOFMO-AGIUHOORSA-N 2 1 265.426 2.368 20 0 CEADMP CC1(C)CO[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000903482098 635149963 /nfs/dbraw/zinc/14/99/63/635149963.db2.gz XHVYIWLGWFOUFP-OLZOCXBDSA-N 2 1 252.402 2.066 20 0 CEADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494535 635157142 /nfs/dbraw/zinc/15/71/42/635157142.db2.gz IYYBKKHFRAJYLN-QLFBSQMISA-N 2 1 289.423 2.239 20 0 CEADMP COc1ccc(OCCC[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903496668 635157981 /nfs/dbraw/zinc/15/79/81/635157981.db2.gz XZBUHWBYSFWTKA-HUUCEWRRSA-N 2 1 292.423 2.381 20 0 CEADMP Cc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903511119 635158938 /nfs/dbraw/zinc/15/89/38/635158938.db2.gz PHWFEVFLFNVFFX-KDURUIRLSA-N 2 1 299.462 2.396 20 0 CEADMP Cc1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511119 635158941 /nfs/dbraw/zinc/15/89/41/635158941.db2.gz PHWFEVFLFNVFFX-KDURUIRLSA-N 2 1 299.462 2.396 20 0 CEADMP Cc1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903511119 635158945 /nfs/dbraw/zinc/15/89/45/635158945.db2.gz PHWFEVFLFNVFFX-KDURUIRLSA-N 2 1 299.462 2.396 20 0 CEADMP C[C@@]1([C@@H]2CCC[N@@H+](CCCCCCC[NH3+])C2)COC(=O)N1 ZINC000903560893 635163560 /nfs/dbraw/zinc/16/35/60/635163560.db2.gz CXEUNJWSQBDVSO-ZBFHGGJFSA-N 2 1 297.443 2.106 20 0 CEADMP c1csc(C[C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903565184 635164123 /nfs/dbraw/zinc/16/41/23/635164123.db2.gz FNCZEDPDIZAERS-KGLIPLIRSA-N 2 1 279.453 2.397 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2cc(F)ncc2F)CC1 ZINC000823399612 635164195 /nfs/dbraw/zinc/16/41/95/635164195.db2.gz LJKUFUQEWKURHH-UHFFFAOYSA-N 2 1 269.339 2.133 20 0 CEADMP [NH3+]CCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000903565969 635164416 /nfs/dbraw/zinc/16/44/16/635164416.db2.gz WEJSSULVCJMIEQ-LLVKDONJSA-N 2 1 265.426 2.160 20 0 CEADMP [NH3+]CCOCC[N@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000903569434 635168916 /nfs/dbraw/zinc/16/89/16/635168916.db2.gz DZPZLWLYVXKPBP-UHFFFAOYSA-N 2 1 291.420 2.236 20 0 CEADMP [NH3+]CCOCC[N@@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000903569434 635168919 /nfs/dbraw/zinc/16/89/19/635168919.db2.gz DZPZLWLYVXKPBP-UHFFFAOYSA-N 2 1 291.420 2.236 20 0 CEADMP COc1ccc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)nc1 ZINC000903708324 635229705 /nfs/dbraw/zinc/22/97/05/635229705.db2.gz QWZVROAGZCTRDI-INIZCTEOSA-N 2 1 275.396 2.227 20 0 CEADMP CC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCCCC1 ZINC000903717372 635232147 /nfs/dbraw/zinc/23/21/47/635232147.db2.gz PEMPFLOGDSJIMI-JKSUJKDBSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@H+](Cc1ccc(F)cc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719395 635233284 /nfs/dbraw/zinc/23/32/84/635233284.db2.gz ZFEVSMSPIAXKAV-HZPDHXFCSA-N 2 1 278.371 2.026 20 0 CEADMP C[N@H+](C[C@H]1COc2ccccc2O1)C[C@@H]1CCCC[NH2+]C1 ZINC000903718181 635233564 /nfs/dbraw/zinc/23/35/64/635233564.db2.gz HWNNSOPQCWOYQG-CABCVRRESA-N 2 1 290.407 2.148 20 0 CEADMP C[N@@H+](C[C@H]1COc2ccccc2O1)C[C@@H]1CCCC[NH2+]C1 ZINC000903718181 635233572 /nfs/dbraw/zinc/23/35/72/635233572.db2.gz HWNNSOPQCWOYQG-CABCVRRESA-N 2 1 290.407 2.148 20 0 CEADMP CC[N@H+](Cc1cccs1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719408 635234066 /nfs/dbraw/zinc/23/40/66/635234066.db2.gz ZJQGDVBLGFRXHM-ZFWWWQNUSA-N 2 1 280.437 2.339 20 0 CEADMP C[N@H+](Cc1ccc(F)c(F)c1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722991 635235843 /nfs/dbraw/zinc/23/58/43/635235843.db2.gz FPPVLSXETTXKAY-CZUORRHYSA-N 2 1 296.361 2.165 20 0 CEADMP CCCC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903722384 635236250 /nfs/dbraw/zinc/23/62/50/635236250.db2.gz LRHUCPSFYMLMSG-GJZGRUSLSA-N 2 1 252.402 2.020 20 0 CEADMP c1csc(C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)c1 ZINC000903723926 635237303 /nfs/dbraw/zinc/23/73/03/635237303.db2.gz JMWFTIBYOUNTOY-GOEBONIOSA-N 2 1 292.448 2.481 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H]1CCc2ccccc21 ZINC000903724154 635237595 /nfs/dbraw/zinc/23/75/95/635237595.db2.gz LLAVOGRQKBRDML-JQHSSLGASA-N 2 1 286.419 2.374 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCS1 ZINC000903733428 635239799 /nfs/dbraw/zinc/23/97/99/635239799.db2.gz KAXIROVPPGHBEI-GJZGRUSLSA-N 2 1 298.496 2.219 20 0 CEADMP C[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903728453 635240373 /nfs/dbraw/zinc/24/03/73/635240373.db2.gz BVOBTJYSKLEHNR-HFTRVMKXSA-N 2 1 286.419 2.374 20 0 CEADMP CCCO[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903728971 635241329 /nfs/dbraw/zinc/24/13/29/635241329.db2.gz IMFZFMPJJFPHKL-IXDOHACOSA-N 2 1 296.455 2.036 20 0 CEADMP FCCn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000903749621 635247708 /nfs/dbraw/zinc/24/77/08/635247708.db2.gz NBORTZAUBWJZLY-HZPDHXFCSA-N 2 1 294.418 2.064 20 0 CEADMP CC1(C)CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903734119 635250405 /nfs/dbraw/zinc/25/04/05/635250405.db2.gz OQCIXDKOBOZSDC-HOCLYGCPSA-N 2 1 266.429 2.267 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)OC1CCSCC1 ZINC000903740259 635252527 /nfs/dbraw/zinc/25/25/27/635252527.db2.gz FJBAAWWQYGWOAX-GOEBONIOSA-N 2 1 298.496 2.363 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCCC[NH2+]C1 ZINC000903739589 635253587 /nfs/dbraw/zinc/25/35/87/635253587.db2.gz MLBCDRJVOAYDNA-CVEARBPZSA-N 3 1 267.461 2.182 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@H]2CCCC[NH2+]C2)C[C@@H]1C ZINC000903738996 635253766 /nfs/dbraw/zinc/25/37/66/635253766.db2.gz APJNFWGAFGEPME-JYJNAYRXSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCOC2CCSCC2)C[C@@H]1C[NH3+] ZINC000903761343 635255592 /nfs/dbraw/zinc/25/55/92/635255592.db2.gz QFTBMQOHKVXFDU-MCIONIFRSA-N 2 1 286.485 2.204 20 0 CEADMP CC(C)[N@@H+](CC1CCC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903759909 635256354 /nfs/dbraw/zinc/25/63/54/635256354.db2.gz UCNIBQODNVMUDP-HOTGVXAUSA-N 2 1 266.429 2.266 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000903762836 635257679 /nfs/dbraw/zinc/25/76/79/635257679.db2.gz FBVSNQCJFWOWKZ-HRCADAONSA-N 2 1 266.429 2.267 20 0 CEADMP C1=CC[C@@H]2C[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C[C@@H]2C1 ZINC000903777457 635266103 /nfs/dbraw/zinc/26/61/03/635266103.db2.gz BJIGYMQIKGBLBL-XHSDSOJGSA-N 2 1 276.424 2.043 20 0 CEADMP C[C@@H]1c2sccc2CC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903783999 635268339 /nfs/dbraw/zinc/26/83/39/635268339.db2.gz IRCXTTIIGXLRJO-XPKDYRNWSA-N 2 1 292.448 2.436 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCOCC(F)F)CCC1 ZINC000903810305 635284138 /nfs/dbraw/zinc/28/41/38/635284138.db2.gz AHQZTMREEQZGSF-LBPRGKRZSA-N 2 1 276.371 2.252 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2C[C@@H](O)CC(F)(F)F)CCC1 ZINC000903810536 635284349 /nfs/dbraw/zinc/28/43/49/635284349.db2.gz DINWZPWNMQUTTC-NWDGAFQWSA-N 2 1 294.361 2.283 20 0 CEADMP Cc1cn(C)nc1C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812112 635286983 /nfs/dbraw/zinc/28/69/83/635286983.db2.gz QANRWHYRBMAIAN-HNNXBMFYSA-N 2 1 276.428 2.212 20 0 CEADMP Cc1cn(C)nc1C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812112 635286985 /nfs/dbraw/zinc/28/69/85/635286985.db2.gz QANRWHYRBMAIAN-HNNXBMFYSA-N 2 1 276.428 2.212 20 0 CEADMP Fc1ccc(OC[C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000903826362 635293740 /nfs/dbraw/zinc/29/37/40/635293740.db2.gz JNRLOLFKWXYXEL-HIFRSBDPSA-N 2 1 278.371 2.278 20 0 CEADMP C[C@]12C[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903827180 635294380 /nfs/dbraw/zinc/29/43/80/635294380.db2.gz PVPWJMWIOUCHLJ-PYTCMNEWSA-N 2 1 290.451 2.123 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1CCC2(CCC2)CO1 ZINC000903857289 635307648 /nfs/dbraw/zinc/30/76/48/635307648.db2.gz DBPPTFBHGMNCBY-IJEWVQPXSA-N 2 1 264.413 2.149 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1CCC2(CCC2)CO1 ZINC000903857289 635307650 /nfs/dbraw/zinc/30/76/50/635307650.db2.gz DBPPTFBHGMNCBY-IJEWVQPXSA-N 2 1 264.413 2.149 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2Cc1ccc2cc[nH]c2c1 ZINC000903857519 635309266 /nfs/dbraw/zinc/30/92/66/635309266.db2.gz FEQNAFKMMNWVBX-HOCLYGCPSA-N 2 1 255.365 2.481 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2Cc1ccc2cc[nH]c2c1 ZINC000903857519 635309270 /nfs/dbraw/zinc/30/92/70/635309270.db2.gz FEQNAFKMMNWVBX-HOCLYGCPSA-N 2 1 255.365 2.481 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCCc1ccsc1 ZINC000903859210 635310977 /nfs/dbraw/zinc/31/09/77/635310977.db2.gz LOMVAFOFJPJOSW-KBPBESRZSA-N 2 1 250.411 2.494 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCCc1ccsc1 ZINC000903859210 635310983 /nfs/dbraw/zinc/31/09/83/635310983.db2.gz LOMVAFOFJPJOSW-KBPBESRZSA-N 2 1 250.411 2.494 20 0 CEADMP C(C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1)[C@@H]1CC[NH2+]C1 ZINC000903874532 635322021 /nfs/dbraw/zinc/32/20/21/635322021.db2.gz CNHJAAHTDZHSBJ-XHSDSOJGSA-N 2 1 266.429 2.125 20 0 CEADMP CCC[N@H+](CC(=O)OCC)Cc1cccc2c1CC[NH2+]C2 ZINC000903886819 635327305 /nfs/dbraw/zinc/32/73/05/635327305.db2.gz TVBRUZPPOCRMHE-UHFFFAOYSA-N 2 1 290.407 2.107 20 0 CEADMP CCC[N@@H+](CC(=O)OCC)Cc1cccc2c1CC[NH2+]C2 ZINC000903886819 635327309 /nfs/dbraw/zinc/32/73/09/635327309.db2.gz TVBRUZPPOCRMHE-UHFFFAOYSA-N 2 1 290.407 2.107 20 0 CEADMP COc1ccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1O ZINC000903959655 635370126 /nfs/dbraw/zinc/37/01/26/635370126.db2.gz LLIGEGNDUCVJGM-KRWDZBQOSA-N 2 1 290.407 2.366 20 0 CEADMP COc1ccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1O ZINC000903959655 635370132 /nfs/dbraw/zinc/37/01/32/635370132.db2.gz LLIGEGNDUCVJGM-KRWDZBQOSA-N 2 1 290.407 2.366 20 0 CEADMP Fc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1F ZINC000903954536 635388280 /nfs/dbraw/zinc/38/82/80/635388280.db2.gz DRYSMEJIJDZUFD-SNVBAGLBSA-N 2 1 276.277 2.299 20 0 CEADMP CCC(CC)C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974020 635391306 /nfs/dbraw/zinc/39/13/06/635391306.db2.gz SKYMYZKUUAXMHX-AWEZNQCLSA-N 2 1 254.418 2.171 20 0 CEADMP CC1(C)CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973138 635391952 /nfs/dbraw/zinc/39/19/52/635391952.db2.gz OYOPLBZRJDZVMH-KBPBESRZSA-N 2 1 266.429 2.313 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cn1 ZINC000903978406 635394433 /nfs/dbraw/zinc/39/44/33/635394433.db2.gz ONMUYAKNMDAJHW-GDBMZVCRSA-N 2 1 290.455 2.343 20 0 CEADMP Cc1ccc(CCC[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cn1 ZINC000903977877 635394871 /nfs/dbraw/zinc/39/48/71/635394871.db2.gz CFCTWIPYYMTFTP-CZUORRHYSA-N 2 1 261.413 2.239 20 0 CEADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963654 635398169 /nfs/dbraw/zinc/39/81/69/635398169.db2.gz DPGVEBAPPBPJCV-BFQNTYOBSA-N 2 1 272.396 2.082 20 0 CEADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903964751 635398809 /nfs/dbraw/zinc/39/88/09/635398809.db2.gz POPXUMUJESGRFZ-CJNGLKHVSA-N 2 1 298.434 2.434 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000903968008 635400809 /nfs/dbraw/zinc/40/08/09/635400809.db2.gz OXXBIJWCAZOXMK-CBZIJGRNSA-N 3 1 293.499 2.475 20 0 CEADMP CC(C)C[C@H](C)C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969389 635400947 /nfs/dbraw/zinc/40/09/47/635400947.db2.gz FEJSXGKWHLFXLM-LSDHHAIUSA-N 2 1 268.445 2.417 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)C1 ZINC000904315886 635552840 /nfs/dbraw/zinc/55/28/40/635552840.db2.gz GCKLCPWJBKPCPW-XBVQOTNRSA-N 2 1 274.408 2.312 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)C1 ZINC000904328302 635573134 /nfs/dbraw/zinc/57/31/34/635573134.db2.gz NEABUHNSCQEAGU-IEAZIUSSSA-N 2 1 292.398 2.451 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904344108 635581943 /nfs/dbraw/zinc/58/19/43/635581943.db2.gz ZJNFXPNOBFNWNU-IRXDYDNUSA-N 2 1 279.472 2.040 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000904368735 635591259 /nfs/dbraw/zinc/59/12/59/635591259.db2.gz MTHDQARANBZKDT-HZPDHXFCSA-N 2 1 278.440 2.333 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000904377259 635601938 /nfs/dbraw/zinc/60/19/38/635601938.db2.gz MBIDCGCFXDIDJX-BMFZPTHFSA-N 2 1 268.445 2.498 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000904377259 635601939 /nfs/dbraw/zinc/60/19/39/635601939.db2.gz MBIDCGCFXDIDJX-BMFZPTHFSA-N 2 1 268.445 2.498 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)CCCO2 ZINC000904375858 635602116 /nfs/dbraw/zinc/60/21/16/635602116.db2.gz IAPVSOUPLWMNTE-SWLSCSKDSA-N 2 1 260.381 2.323 20 0 CEADMP CC(C)[C@H]1CN(C[C@@H]([NH3+])CCC(C)(C)C)CC[N@H+]1C ZINC000904384797 635606985 /nfs/dbraw/zinc/60/69/85/635606985.db2.gz OEJASPNLBNTJRJ-LSDHHAIUSA-N 2 1 269.477 2.412 20 0 CEADMP C[N@@H+](CCc1ccc2c(c1)OCO2)C[C@@]1(C)CCC[NH2+]C1 ZINC000904388120 635609837 /nfs/dbraw/zinc/60/98/37/635609837.db2.gz DEFSHNPBJOZSHX-KRWDZBQOSA-N 2 1 290.407 2.279 20 0 CEADMP CCn1nc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c2ccccc21 ZINC000904409411 635614757 /nfs/dbraw/zinc/61/47/57/635614757.db2.gz BIJYMPHDJUIJSX-ZIAGYGMSSA-N 2 1 286.423 2.473 20 0 CEADMP Cc1csc(C[C@@H]2CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000904434038 635628651 /nfs/dbraw/zinc/62/86/51/635628651.db2.gz SWDAQFZIYDUZQM-DZGCQCFKSA-N 2 1 279.453 2.316 20 0 CEADMP CC[C@](O)(C[NH2+]C1CC[NH+](C(C)C)CC1)C(F)(F)F ZINC000905027629 635793870 /nfs/dbraw/zinc/79/38/70/635793870.db2.gz QPWOMIPZJOZMRP-LBPRGKRZSA-N 2 1 282.350 2.152 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC000826667232 635807770 /nfs/dbraw/zinc/80/77/70/635807770.db2.gz KOHPZMJTJCRLQZ-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000826667232 635807774 /nfs/dbraw/zinc/80/77/74/635807774.db2.gz KOHPZMJTJCRLQZ-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000826667232 635807778 /nfs/dbraw/zinc/80/77/78/635807778.db2.gz KOHPZMJTJCRLQZ-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP O[C@]1(C[NH2+]C[C@H]2C=CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905409734 636261670 /nfs/dbraw/zinc/26/16/70/636261670.db2.gz KPCOCSNBLSYJAT-WMZOPIPTSA-N 2 1 286.419 2.179 20 0 CEADMP O[C@]1(C[NH2+]C[C@H]2C=CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905409734 636261672 /nfs/dbraw/zinc/26/16/72/636261672.db2.gz KPCOCSNBLSYJAT-WMZOPIPTSA-N 2 1 286.419 2.179 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)CC[C@@H]1[NH3+] ZINC000252823786 636395243 /nfs/dbraw/zinc/39/52/43/636395243.db2.gz CJTNXZZBEYTUCF-NFAWXSAZSA-N 2 1 260.381 2.222 20 0 CEADMP COc1cccc(C[NH2+]C2CC([NH3+])C2)c1OC(C)C ZINC000906508792 636760106 /nfs/dbraw/zinc/76/01/06/636760106.db2.gz ZTNQHSUVVWSPIG-UHFFFAOYSA-N 2 1 264.369 2.062 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000906509271 636760954 /nfs/dbraw/zinc/76/09/54/636760954.db2.gz DXMZXEQPDTZNJT-UHFFFAOYSA-N 2 1 260.259 2.165 20 0 CEADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C1CC([NH3+])C1 ZINC000906510696 636762032 /nfs/dbraw/zinc/76/20/32/636762032.db2.gz QZJDPMPWKFBNRT-UHFFFAOYSA-N 2 1 298.434 2.436 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC)C1 ZINC000906645056 636810496 /nfs/dbraw/zinc/81/04/96/636810496.db2.gz QVLGJORBCVUEKH-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000906645056 636810499 /nfs/dbraw/zinc/81/04/99/636810499.db2.gz QVLGJORBCVUEKH-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC)C1 ZINC000906645056 636810502 /nfs/dbraw/zinc/81/05/02/636810502.db2.gz QVLGJORBCVUEKH-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CN(C)c1ccnc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)c1 ZINC000907325192 636995267 /nfs/dbraw/zinc/99/52/67/636995267.db2.gz QEURWSZMCLUQBA-JSGCOSHPSA-N 2 1 288.395 2.103 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000908306367 637296274 /nfs/dbraw/zinc/29/62/74/637296274.db2.gz NOWJVAWYVPGRCM-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000908306367 637296276 /nfs/dbraw/zinc/29/62/76/637296276.db2.gz NOWJVAWYVPGRCM-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000908306367 637296278 /nfs/dbraw/zinc/29/62/78/637296278.db2.gz NOWJVAWYVPGRCM-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000832778509 637667623 /nfs/dbraw/zinc/66/76/23/637667623.db2.gz SXJOZMHDZDVMJA-GJZGRUSLSA-N 2 1 283.460 2.132 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000834646568 637902372 /nfs/dbraw/zinc/90/23/72/637902372.db2.gz GNRYWQHHUICWNA-LSDHHAIUSA-N 2 1 283.460 2.084 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000834646565 637902443 /nfs/dbraw/zinc/90/24/43/637902443.db2.gz GNRYWQHHUICWNA-CABCVRRESA-N 2 1 283.460 2.084 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+](CC3(C)CCCC3)CC2)C1 ZINC000876716361 650409029 /nfs/dbraw/zinc/40/90/29/650409029.db2.gz YXMWNHMGJRVVCW-INIZCTEOSA-N 2 1 279.472 2.279 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000911856323 638446023 /nfs/dbraw/zinc/44/60/23/638446023.db2.gz PHCKPVJRBIYBPK-CZUORRHYSA-N 2 1 289.423 2.195 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000912285960 638631423 /nfs/dbraw/zinc/63/14/23/638631423.db2.gz ZAVQKIHHDZRSMA-CQSZACIVSA-N 2 1 295.471 2.240 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876876929 650468787 /nfs/dbraw/zinc/46/87/87/650468787.db2.gz MBKDBKBATZVPCZ-SHTZXODSSA-N 2 1 295.471 2.227 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000876942923 650486205 /nfs/dbraw/zinc/48/62/05/650486205.db2.gz IWWYORSULYVWKD-ZJUUUORDSA-N 2 1 251.201 2.112 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000876946372 650499567 /nfs/dbraw/zinc/49/95/67/650499567.db2.gz KTUSNEFLJGMHHL-JTQLQIEISA-N 2 1 262.184 2.365 20 0 CEADMP Cc1ccc(C)c(OCCC[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000311160951 639480107 /nfs/dbraw/zinc/48/01/07/639480107.db2.gz PNUVJDXKWYWFGP-CQSZACIVSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1ccc(C)c(OCCC[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000311160951 639480111 /nfs/dbraw/zinc/48/01/11/639480111.db2.gz PNUVJDXKWYWFGP-CQSZACIVSA-N 2 1 250.386 2.351 20 0 CEADMP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000157595492 639502650 /nfs/dbraw/zinc/50/26/50/639502650.db2.gz QEUIWRFOACWSIE-NRKLIOEPSA-N 2 1 277.456 2.124 20 0 CEADMP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000157595492 639502654 /nfs/dbraw/zinc/50/26/54/639502654.db2.gz QEUIWRFOACWSIE-NRKLIOEPSA-N 3 1 277.456 2.124 20 0 CEADMP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000157595492 639502663 /nfs/dbraw/zinc/50/26/63/639502663.db2.gz QEUIWRFOACWSIE-NRKLIOEPSA-N 3 1 277.456 2.124 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000227189962 639574693 /nfs/dbraw/zinc/57/46/93/639574693.db2.gz YMZKANBJGGBPTP-GJZGRUSLSA-N 2 1 262.397 2.433 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+](C)Cc2cnn(-c3ccccc3)n2)CC[NH2+]1 ZINC000841008147 639616465 /nfs/dbraw/zinc/61/64/65/639616465.db2.gz WATHFWTWFNEBKG-GJZGRUSLSA-N 2 1 299.422 2.087 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cnn(-c3ccccc3)n2)CC[NH2+]1 ZINC000841008147 639616468 /nfs/dbraw/zinc/61/64/68/639616468.db2.gz WATHFWTWFNEBKG-GJZGRUSLSA-N 2 1 299.422 2.087 20 0 CEADMP Cc1ccc(N2CC[N@@H+](CCC[NH3+])[C@H](C)C2)cc1C ZINC000841019017 639618161 /nfs/dbraw/zinc/61/81/61/639618161.db2.gz DDRSFHPZSDEINB-OAHLLOKOSA-N 2 1 261.413 2.163 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000228287781 639627719 /nfs/dbraw/zinc/62/77/19/639627719.db2.gz GVTMNQYOSXEUIT-JOYOIKCWSA-N 2 1 253.415 2.319 20 0 CEADMP COc1ccc(C)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229085191 639675325 /nfs/dbraw/zinc/67/53/25/639675325.db2.gz REOKVSRRUOMHND-ZFWWWQNUSA-N 2 1 262.397 2.420 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2COC(C)(C)C2)cn1 ZINC000841857410 639884797 /nfs/dbraw/zinc/88/47/97/639884797.db2.gz YDLFRVCWSVFVLR-AWEZNQCLSA-N 2 1 286.379 2.233 20 0 CEADMP [NH3+]CCCCCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000842471811 640071024 /nfs/dbraw/zinc/07/10/24/640071024.db2.gz BDCDUXFZZLUQDA-INIZCTEOSA-N 2 1 289.423 2.069 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000842471811 640071028 /nfs/dbraw/zinc/07/10/28/640071028.db2.gz BDCDUXFZZLUQDA-INIZCTEOSA-N 2 1 289.423 2.069 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)NC1CCCCCCC1 ZINC000842476964 640076887 /nfs/dbraw/zinc/07/68/87/640076887.db2.gz YIKQVRKBRWWHQN-OAHLLOKOSA-N 2 1 295.471 2.193 20 0 CEADMP Cc1cccn2c(C[N@H+](C)C3CCC([NH3+])CC3)cnc12 ZINC000843055988 640258515 /nfs/dbraw/zinc/25/85/15/640258515.db2.gz UYYOTCHQFGSQEU-UHFFFAOYSA-N 2 1 272.396 2.344 20 0 CEADMP C[N@@H+](Cc1ccc(N2CCCC2)nc1)C1CCC([NH3+])CC1 ZINC000843055640 640258556 /nfs/dbraw/zinc/25/85/56/640258556.db2.gz JMNBUIIRBAVAGY-UHFFFAOYSA-N 2 1 288.439 2.384 20 0 CEADMP CC(C)([NH3+])C[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000843126876 640293469 /nfs/dbraw/zinc/29/34/69/640293469.db2.gz XJCMLICNYGCLDY-OAHLLOKOSA-N 2 1 258.365 2.200 20 0 CEADMP CN(CC1CCCCC1)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843355029 640401611 /nfs/dbraw/zinc/40/16/11/640401611.db2.gz JMLRNTXMILAZRY-UHFFFAOYSA-N 2 1 295.471 2.227 20 0 CEADMP CC1([NH3+])CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000843375474 640410390 /nfs/dbraw/zinc/41/03/90/640410390.db2.gz ROWCRPOAJXPTQX-UHFFFAOYSA-N 2 1 252.333 2.018 20 0 CEADMP NC[C@@H]1c2ccccc2CC[N@H+]1CCCCCCC[NH3+] ZINC000843392514 640414424 /nfs/dbraw/zinc/41/44/24/640414424.db2.gz STCCAMMYRVUKEV-QGZVFWFLSA-N 2 1 275.440 2.454 20 0 CEADMP NC[C@@H]1c2ccccc2CC[N@@H+]1CCCCCCC[NH3+] ZINC000843392514 640414427 /nfs/dbraw/zinc/41/44/27/640414427.db2.gz STCCAMMYRVUKEV-QGZVFWFLSA-N 2 1 275.440 2.454 20 0 CEADMP CN(C)c1cccc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000844221628 640636191 /nfs/dbraw/zinc/63/61/91/640636191.db2.gz IFAXJDAXORTWQG-WMLDXEAASA-N 2 1 273.424 2.499 20 0 CEADMP C[N@@H+](CCOc1ccccc1F)CC1CC[NH+](C)CC1 ZINC000154810694 640991350 /nfs/dbraw/zinc/99/13/50/640991350.db2.gz WQCOPPXWEXTLLE-UHFFFAOYSA-N 2 1 280.387 2.478 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000845943005 641133262 /nfs/dbraw/zinc/13/32/62/641133262.db2.gz XBEOFCBFWFKHCE-GOEBONIOSA-N 2 1 299.422 2.230 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925479660 641141941 /nfs/dbraw/zinc/14/19/41/641141941.db2.gz COMQXDIEPVBNFF-GDBMZVCRSA-N 2 1 263.429 2.396 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000845995854 641147308 /nfs/dbraw/zinc/14/73/08/641147308.db2.gz HPKAGYRDOJMRLY-UHFFFAOYSA-N 2 1 298.471 2.487 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)n(C)n1 ZINC000846177434 641213551 /nfs/dbraw/zinc/21/35/51/641213551.db2.gz PFDMNYKSOJNVBQ-AWEZNQCLSA-N 2 1 266.433 2.357 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)n(C)n1 ZINC000846177434 641213562 /nfs/dbraw/zinc/21/35/62/641213562.db2.gz PFDMNYKSOJNVBQ-AWEZNQCLSA-N 2 1 266.433 2.357 20 0 CEADMP CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846218711 641227462 /nfs/dbraw/zinc/22/74/62/641227462.db2.gz WVZKTEWOTVEQPJ-HNNXBMFYSA-N 2 1 297.487 2.380 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCC[NH3+])[C@@H](C)C1 ZINC000846220623 641228423 /nfs/dbraw/zinc/22/84/23/641228423.db2.gz SFDNAPIZCYKPTQ-GJZGRUSLSA-N 3 1 255.450 2.168 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCC[NH3+])[C@@H](C)C1 ZINC000846220623 641228430 /nfs/dbraw/zinc/22/84/30/641228430.db2.gz SFDNAPIZCYKPTQ-GJZGRUSLSA-N 3 1 255.450 2.168 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCC[NH3+])[C@@H](C)C1 ZINC000846220623 641228434 /nfs/dbraw/zinc/22/84/34/641228434.db2.gz SFDNAPIZCYKPTQ-GJZGRUSLSA-N 3 1 255.450 2.168 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CCCCCC[NH3+])[C@@H](C)C1 ZINC000846220623 641228444 /nfs/dbraw/zinc/22/84/44/641228444.db2.gz SFDNAPIZCYKPTQ-GJZGRUSLSA-N 2 1 255.450 2.168 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CCCCCC[NH3+])[C@@H](C)C1 ZINC000846220623 641228454 /nfs/dbraw/zinc/22/84/54/641228454.db2.gz SFDNAPIZCYKPTQ-GJZGRUSLSA-N 2 1 255.450 2.168 20 0 CEADMP C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCCCCC[NH3+])C[C@H](C)O1 ZINC000846221176 641230766 /nfs/dbraw/zinc/23/07/66/641230766.db2.gz HUKBKJJLAPAYNE-IXDOHACOSA-N 2 1 297.487 2.079 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1nc(-c2cccnc2)no1 ZINC000846221527 641231430 /nfs/dbraw/zinc/23/14/30/641231430.db2.gz ZWBFHWIVTDORFD-UHFFFAOYSA-N 2 1 289.383 2.083 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000846223476 641232476 /nfs/dbraw/zinc/23/24/76/641232476.db2.gz LJXGTPNHNPWYBB-NVXWUHKLSA-N 3 1 279.472 2.454 20 0 CEADMP [NH3+]CCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000846223476 641232486 /nfs/dbraw/zinc/23/24/86/641232486.db2.gz LJXGTPNHNPWYBB-NVXWUHKLSA-N 3 1 279.472 2.454 20 0 CEADMP [NH3+]CCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000846223476 641232494 /nfs/dbraw/zinc/23/24/94/641232494.db2.gz LJXGTPNHNPWYBB-NVXWUHKLSA-N 3 1 279.472 2.454 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000846223476 641232504 /nfs/dbraw/zinc/23/25/04/641232504.db2.gz LJXGTPNHNPWYBB-NVXWUHKLSA-N 2 1 279.472 2.454 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000846223476 641232512 /nfs/dbraw/zinc/23/25/12/641232512.db2.gz LJXGTPNHNPWYBB-NVXWUHKLSA-N 2 1 279.472 2.454 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000846223441 641233616 /nfs/dbraw/zinc/23/36/16/641233616.db2.gz KBDNBLVZAIQKMS-UHFFFAOYSA-N 2 1 268.792 2.007 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000846223441 641233623 /nfs/dbraw/zinc/23/36/23/641233623.db2.gz KBDNBLVZAIQKMS-UHFFFAOYSA-N 2 1 268.792 2.007 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000846695152 641398283 /nfs/dbraw/zinc/39/82/83/641398283.db2.gz SQSLBEJLGHZZGM-HZPDHXFCSA-N 2 1 297.487 2.474 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2(Br)CC2)CC1 ZINC000846873553 641462618 /nfs/dbraw/zinc/46/26/18/641462618.db2.gz CIPFAEUELFSXJB-LLVKDONJSA-N 2 1 275.234 2.330 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](CC2(Br)CC2)CC1 ZINC000846873553 641462612 /nfs/dbraw/zinc/46/26/12/641462612.db2.gz CIPFAEUELFSXJB-LLVKDONJSA-N 2 1 275.234 2.330 20 0 CEADMP CC[N@H+](C)[C@@H](C(=O)NNc1cc[nH+]cc1)c1ccccc1 ZINC000180537941 641465663 /nfs/dbraw/zinc/46/56/63/641465663.db2.gz VKOLRHPWOJYCQR-OAHLLOKOSA-N 2 1 284.363 2.218 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)NNc1cc[nH+]cc1)c1ccccc1 ZINC000180537941 641465666 /nfs/dbraw/zinc/46/56/66/641465666.db2.gz VKOLRHPWOJYCQR-OAHLLOKOSA-N 2 1 284.363 2.218 20 0 CEADMP c1csc(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000082555288 642005457 /nfs/dbraw/zinc/00/54/57/642005457.db2.gz VPFPCIJDAICZAM-UHFFFAOYSA-N 2 1 250.411 2.366 20 0 CEADMP CCCCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848514796 642020415 /nfs/dbraw/zinc/02/04/15/642020415.db2.gz PYHWXXMPFFUKHJ-OAHLLOKOSA-N 2 1 254.418 2.410 20 0 CEADMP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995798910 642075558 /nfs/dbraw/zinc/07/55/58/642075558.db2.gz QGYMCVXZLPDZBT-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1 ZINC000877452265 650725616 /nfs/dbraw/zinc/72/56/16/650725616.db2.gz VRSNAEOKKIAYII-MAZHCROVSA-N 2 1 287.407 2.015 20 0 CEADMP CCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997059494 642177805 /nfs/dbraw/zinc/17/78/05/642177805.db2.gz DJWRMXPPZYTORI-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1ccccc1 ZINC000848981356 642203474 /nfs/dbraw/zinc/20/34/74/642203474.db2.gz HAKQJSGQCTWSHS-GOEBONIOSA-N 2 1 288.439 2.388 20 0 CEADMP CC[C@H](C)NC(=[NH2+])NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000848981617 642204346 /nfs/dbraw/zinc/20/43/46/642204346.db2.gz DTYOYSSTUVBJQZ-ZFWWWQNUSA-N 2 1 276.428 2.072 20 0 CEADMP C[C@@H](CNC(=[NH2+])Nc1ccccn1)[N@H+]1CCCC[C@@H]1C ZINC000848987165 642208952 /nfs/dbraw/zinc/20/89/52/642208952.db2.gz KQMRVOYLQUYQTL-STQMWFEESA-N 2 1 275.400 2.281 20 0 CEADMP CCc1ccc(NC(=[NH2+])NCC2=CC[N@@H+](C)CC2)cc1 ZINC000849016691 642232280 /nfs/dbraw/zinc/23/22/80/642232280.db2.gz DHHHULPJFKJRFY-UHFFFAOYSA-N 2 1 272.396 2.447 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc2cc[nH]c21 ZINC000849021047 642234765 /nfs/dbraw/zinc/23/47/65/642234765.db2.gz ITHZEYSYGCOPRJ-HNNXBMFYSA-N 2 1 299.422 2.266 20 0 CEADMP CCCCCCNC(=[NH2+])NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000849022484 642236278 /nfs/dbraw/zinc/23/62/78/642236278.db2.gz DAKZMPYTUNQASC-HNNXBMFYSA-N 2 1 298.475 2.182 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccnn1C1CCC1 ZINC000921558923 642245180 /nfs/dbraw/zinc/24/51/80/642245180.db2.gz SQNMKBCQGSEXLW-UHFFFAOYSA-N 2 1 273.384 2.293 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921617843 642264681 /nfs/dbraw/zinc/26/46/81/642264681.db2.gz GDOGYMQAKXLJER-LBPRGKRZSA-N 2 1 250.390 2.038 20 0 CEADMP Cc1ccc([C@H](CNC2=[NH+]CCCCN2)[NH+]2CCCC2)o1 ZINC000849216036 642285616 /nfs/dbraw/zinc/28/56/16/642285616.db2.gz RBFMZWAHLUDNOF-AWEZNQCLSA-N 2 1 290.411 2.054 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997951497 642346336 /nfs/dbraw/zinc/34/63/36/642346336.db2.gz YFLDXEZQKCHLEF-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997951497 642346339 /nfs/dbraw/zinc/34/63/39/642346339.db2.gz YFLDXEZQKCHLEF-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999403645 642487433 /nfs/dbraw/zinc/48/74/33/642487433.db2.gz XEYIQCXYRSWJBC-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001000663624 642638278 /nfs/dbraw/zinc/63/82/78/642638278.db2.gz WNPQTLSYGCXKKF-INIZCTEOSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001000663624 642638283 /nfs/dbraw/zinc/63/82/83/642638283.db2.gz WNPQTLSYGCXKKF-INIZCTEOSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001000663624 642638285 /nfs/dbraw/zinc/63/82/85/642638285.db2.gz WNPQTLSYGCXKKF-INIZCTEOSA-N 2 1 293.455 2.018 20 0 CEADMP C[NH+](C)Cc1cnc(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)s1 ZINC000850352030 642677612 /nfs/dbraw/zinc/67/76/12/642677612.db2.gz YUUDATDEABIIBD-GFCCVEGCSA-N 2 1 296.484 2.167 20 0 CEADMP C[NH+](C)Cc1cnc(CN[C@@H]2CC[N@H+](C(C)(C)C)C2)s1 ZINC000850352030 642677618 /nfs/dbraw/zinc/67/76/18/642677618.db2.gz YUUDATDEABIIBD-GFCCVEGCSA-N 2 1 296.484 2.167 20 0 CEADMP CS[C@@H]1CCC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000922099004 642880013 /nfs/dbraw/zinc/88/00/13/642880013.db2.gz NAHXCCPOOQJCNB-LSDHHAIUSA-N 2 1 299.528 2.276 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922154042 642911042 /nfs/dbraw/zinc/91/10/42/642911042.db2.gz ILNCTVCMIVLQBJ-HNNXBMFYSA-N 2 1 277.412 2.387 20 0 CEADMP CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001003161871 642918936 /nfs/dbraw/zinc/91/89/36/642918936.db2.gz ZFUJRDKOXJMKLV-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001003167641 642919104 /nfs/dbraw/zinc/91/91/04/642919104.db2.gz OGDWCQVRDWXYBP-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1nn(C)c(C[NH2+]CCCC[N@@H+](C)C2CC2)c1Cl ZINC000922169973 642931365 /nfs/dbraw/zinc/93/13/65/642931365.db2.gz BZLHQKLGGPGGKE-UHFFFAOYSA-N 2 1 284.835 2.346 20 0 CEADMP CCc1[nH]nc(Cl)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000922181708 642940472 /nfs/dbraw/zinc/94/04/72/642940472.db2.gz XRDFYEQUVYOXPH-LLVKDONJSA-N 2 1 284.835 2.447 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000109936198 642995759 /nfs/dbraw/zinc/99/57/59/642995759.db2.gz CONJEGBPVRMDDP-UHFFFAOYSA-N 2 1 297.487 2.488 20 0 CEADMP CC[C@H](C)C[NH2+][C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922393473 643059500 /nfs/dbraw/zinc/05/95/00/643059500.db2.gz KVGHUWNALZBUTC-BIVLZKPYSA-N 2 1 282.472 2.492 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000110066364 643066615 /nfs/dbraw/zinc/06/66/15/643066615.db2.gz BYBUNOFQUKXGRU-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCc2ccccc2C1 ZINC000851774659 643155669 /nfs/dbraw/zinc/15/56/69/643155669.db2.gz ZGQFKTZELOREDR-QZTJIDSGSA-N 2 1 290.451 2.177 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000851774659 643155671 /nfs/dbraw/zinc/15/56/71/643155671.db2.gz ZGQFKTZELOREDR-QZTJIDSGSA-N 2 1 290.451 2.177 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000851774659 643155672 /nfs/dbraw/zinc/15/56/72/643155672.db2.gz ZGQFKTZELOREDR-QZTJIDSGSA-N 2 1 290.451 2.177 20 0 CEADMP CCO[C@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)C[NH+](C)C ZINC000922757256 643247651 /nfs/dbraw/zinc/24/76/51/643247651.db2.gz CZCMEBNZNZTLKS-UMVBOHGHSA-N 2 1 256.434 2.367 20 0 CEADMP C[N@@H+](CC[C@@H]1COC(C)(C)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000852039569 643273607 /nfs/dbraw/zinc/27/36/07/643273607.db2.gz GFVZCZXGEQJNBP-IZGVIRRGSA-N 2 1 282.428 2.085 20 0 CEADMP C[NH+](CC[C@@H]1COC(C)(C)O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000852039569 643273615 /nfs/dbraw/zinc/27/36/15/643273615.db2.gz GFVZCZXGEQJNBP-IZGVIRRGSA-N 2 1 282.428 2.085 20 0 CEADMP C[NH+](CC[C@@H]1COC(C)(C)O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000852039569 643273619 /nfs/dbraw/zinc/27/36/19/643273619.db2.gz GFVZCZXGEQJNBP-IZGVIRRGSA-N 2 1 282.428 2.085 20 0 CEADMP CCC[C@@H](C[N@@H+](CCOC)CC1CC[NH+](C)CC1)OC ZINC000877664700 650840591 /nfs/dbraw/zinc/84/05/91/650840591.db2.gz UGBLAXPBFLBKPB-INIZCTEOSA-N 2 1 286.460 2.092 20 0 CEADMP COCC[N@H+](Cc1ccc(F)nc1)CC1CC[NH+](C)CC1 ZINC000877664776 650840714 /nfs/dbraw/zinc/84/07/14/650840714.db2.gz WJIMDPZPAAMTNH-UHFFFAOYSA-N 2 1 295.402 2.011 20 0 CEADMP COCC[N@H+](Cc1ccc(C)cn1)CC1CC[NH+](C)CC1 ZINC000877665418 650840889 /nfs/dbraw/zinc/84/08/89/650840889.db2.gz UUSALLQNSSXHHP-UHFFFAOYSA-N 2 1 291.439 2.180 20 0 CEADMP CCCOC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000852753912 643537439 /nfs/dbraw/zinc/53/74/39/643537439.db2.gz KROIIIWBVSOUJV-DZGCQCFKSA-N 2 1 282.428 2.040 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000923282880 643638715 /nfs/dbraw/zinc/63/87/15/643638715.db2.gz YAVJIZRCKQEPPJ-MFKMUULPSA-N 2 1 288.313 2.019 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000923282880 643638725 /nfs/dbraw/zinc/63/87/25/643638725.db2.gz YAVJIZRCKQEPPJ-MFKMUULPSA-N 2 1 288.313 2.019 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853063139 643641753 /nfs/dbraw/zinc/64/17/53/643641753.db2.gz YXJWPYCYTMUMGG-INMHGKMJSA-N 2 1 291.439 2.073 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000923289678 643643357 /nfs/dbraw/zinc/64/33/57/643643357.db2.gz RUXOKJATAKTUDE-KKUMJFAQSA-N 2 1 256.434 2.377 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)CC(C)(C)C[NH3+] ZINC000923294420 643646063 /nfs/dbraw/zinc/64/60/63/643646063.db2.gz LILGBUUBKSNHNT-CYBMUJFWSA-N 2 1 288.794 2.429 20 0 CEADMP c1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923301729 643649354 /nfs/dbraw/zinc/64/93/54/643649354.db2.gz NQNJXTAZMZKAEN-CVEARBPZSA-N 2 1 272.392 2.202 20 0 CEADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301887 643650859 /nfs/dbraw/zinc/65/08/59/643650859.db2.gz ZKJHUTSLMGIVGF-YPMHNXCESA-N 2 1 296.361 2.336 20 0 CEADMP Fc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923303908 643651365 /nfs/dbraw/zinc/65/13/65/643651365.db2.gz LYBSCUUIJFLVHH-CVEARBPZSA-N 2 1 290.382 2.341 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923314524 643654644 /nfs/dbraw/zinc/65/46/44/643654644.db2.gz AGDCGJLOEJKXER-DJIMGWMZSA-N 2 1 286.419 2.243 20 0 CEADMP CC[N@@H+](C[C@@H](O)CCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000923337015 643669055 /nfs/dbraw/zinc/66/90/55/643669055.db2.gz WSEBPXFSXDJSGU-ROUUACIJSA-N 2 1 290.451 2.444 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H](O)CCc3ccccc3)C[C@H]21 ZINC000923331669 643671557 /nfs/dbraw/zinc/67/15/57/643671557.db2.gz HTTDXJVBNJIRGL-XMTFNYHQSA-N 2 1 288.435 2.039 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)CC(F)(F)F ZINC000923357900 643677472 /nfs/dbraw/zinc/67/74/72/643677472.db2.gz AMJQFLQLQZELRA-AVGNSLFASA-N 2 1 294.361 2.011 20 0 CEADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000923368774 643682107 /nfs/dbraw/zinc/68/21/07/643682107.db2.gz SQMZHIRJGJGHPE-ZBFHGGJFSA-N 2 1 294.439 2.006 20 0 CEADMP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1c(C)noc1C ZINC000923379944 643687317 /nfs/dbraw/zinc/68/73/17/643687317.db2.gz RZLGXETUBMGELK-CYBMUJFWSA-N 2 1 251.374 2.474 20 0 CEADMP CCCCCC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000923387251 643692351 /nfs/dbraw/zinc/69/23/51/643692351.db2.gz HWABMHGUOLVENS-XHSDSOJGSA-N 2 1 268.445 2.379 20 0 CEADMP C[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1CCO ZINC000923393161 643694506 /nfs/dbraw/zinc/69/45/06/643694506.db2.gz YOMWRBJHPUBDEG-UCHQMPSGSA-N 2 1 280.456 2.390 20 0 CEADMP C[C@@H](CO)[C@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923393192 643694705 /nfs/dbraw/zinc/69/47/05/643694705.db2.gz ZCVNNUVVJTZFNS-UCHQMPSGSA-N 2 1 280.456 2.390 20 0 CEADMP Cn1nccc1[C@@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923433368 643710804 /nfs/dbraw/zinc/71/08/04/643710804.db2.gz ZDLYDRLHKFTUOE-BTFYYFJDSA-N 2 1 288.439 2.478 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2OC)[C@H](C)C1 ZINC000853237984 643718352 /nfs/dbraw/zinc/71/83/52/643718352.db2.gz KFXINQQGKWKRFM-FVQBIDKESA-N 2 1 292.423 2.049 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000923478940 643730900 /nfs/dbraw/zinc/73/09/00/643730900.db2.gz JNQRBNYNLVWAQC-VIFPVBQESA-N 2 1 262.275 2.469 20 0 CEADMP CCCCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487486 643730980 /nfs/dbraw/zinc/73/09/80/643730980.db2.gz DKPJQPXPOPYAMJ-HUUCEWRRSA-N 2 1 283.460 2.132 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000923479814 643731133 /nfs/dbraw/zinc/73/11/33/643731133.db2.gz SUMCTFKGQHQAGJ-CYBMUJFWSA-N 2 1 255.365 2.406 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923483103 643731598 /nfs/dbraw/zinc/73/15/98/643731598.db2.gz XUUBMCTWCBNORB-CYBMUJFWSA-N 2 1 293.386 2.133 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000923483252 643731878 /nfs/dbraw/zinc/73/18/78/643731878.db2.gz YAYSEYFNFGVXBS-ZDUSSCGKSA-N 2 1 288.370 2.182 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)c(C)s1 ZINC000923485884 643733338 /nfs/dbraw/zinc/73/33/38/643733338.db2.gz XMLGVFIXACMUGM-NSHDSACASA-N 2 1 282.409 2.014 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)s1 ZINC000923496509 643733863 /nfs/dbraw/zinc/73/38/63/643733863.db2.gz AHIFNRHBDKAHRH-BXKDBHETSA-N 2 1 253.415 2.177 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(Cl)n2)CC[C@H]1C[NH3+] ZINC000923495281 643733902 /nfs/dbraw/zinc/73/39/02/643733902.db2.gz ABZTYGHKQZZOSG-QWRGUYRKSA-N 2 1 253.777 2.152 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923489852 643735002 /nfs/dbraw/zinc/73/50/02/643735002.db2.gz YVCFMFPYJRMAJB-LSDHHAIUSA-N 2 1 289.423 2.301 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)nc1Cl ZINC000923489851 643735148 /nfs/dbraw/zinc/73/51/48/643735148.db2.gz MFRSWAXGBZJWOR-NEPJUHHUSA-N 2 1 267.804 2.460 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)nc1Cl ZINC000923490279 643735293 /nfs/dbraw/zinc/73/52/93/643735293.db2.gz MFRSWAXGBZJWOR-VXGBXAGGSA-N 2 1 267.804 2.460 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)nc2)CC[C@H]1C[NH3+] ZINC000923497649 643739898 /nfs/dbraw/zinc/73/98/98/643739898.db2.gz IBPYDTBRGZRTJF-JQWIXIFHSA-N 2 1 253.777 2.152 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(F)ccc2F)CC[C@@H]1C[NH3+] ZINC000923497643 643739933 /nfs/dbraw/zinc/73/99/33/643739933.db2.gz HXTVQYZICVVUPW-WDEREUQCSA-N 2 1 254.324 2.382 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nccn2Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923500347 643740537 /nfs/dbraw/zinc/74/05/37/643740537.db2.gz WUQIWNNKKODGFA-NVXWUHKLSA-N 2 1 298.434 2.348 20 0 CEADMP Cc1ccc2nc(C[N@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cn2c1 ZINC000923498920 643741366 /nfs/dbraw/zinc/74/13/66/643741366.db2.gz JBSZLLSVEQXRIN-ZIAGYGMSSA-N 2 1 272.396 2.059 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2F)CC[C@H]1C[NH3+] ZINC000923501834 643742370 /nfs/dbraw/zinc/74/23/70/643742370.db2.gz WCRYFRBPJJPCAQ-QWRGUYRKSA-N 2 1 254.324 2.382 20 0 CEADMP CO[C@@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(F)cc1 ZINC000923515997 643746869 /nfs/dbraw/zinc/74/68/69/643746869.db2.gz QBCQDPSVJZYYSY-LZWOXQAQSA-N 2 1 278.371 2.055 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923513385 643749252 /nfs/dbraw/zinc/74/92/52/643749252.db2.gz SRKPWJHBEBFQDK-RBSFLKMASA-N 2 1 289.423 2.157 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923513385 643749255 /nfs/dbraw/zinc/74/92/55/643749255.db2.gz SRKPWJHBEBFQDK-RBSFLKMASA-N 2 1 289.423 2.157 20 0 CEADMP C[N@@H+](Cc1cccc(=O)[nH]1)Cc1cccc2c1CC[NH2+]C2 ZINC000923554672 643759734 /nfs/dbraw/zinc/75/97/34/643759734.db2.gz QTZQFKCPPZFULB-UHFFFAOYSA-N 2 1 283.375 2.065 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877738158 650879437 /nfs/dbraw/zinc/87/94/37/650879437.db2.gz AFPGCIUVGVFMEC-ZNMIVQPWSA-N 2 1 254.418 2.074 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877738158 650879440 /nfs/dbraw/zinc/87/94/40/650879440.db2.gz AFPGCIUVGVFMEC-ZNMIVQPWSA-N 2 1 254.418 2.074 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877738158 650879443 /nfs/dbraw/zinc/87/94/43/650879443.db2.gz AFPGCIUVGVFMEC-ZNMIVQPWSA-N 2 1 254.418 2.074 20 0 CEADMP CN(C)c1cc[nH+]c(NC[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000853998615 643964252 /nfs/dbraw/zinc/96/42/52/643964252.db2.gz AUBKYNNVNDLRJI-AWEZNQCLSA-N 2 1 289.427 2.077 20 0 CEADMP CN(C)c1cc[nH+]c(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000853998615 643964260 /nfs/dbraw/zinc/96/42/60/643964260.db2.gz AUBKYNNVNDLRJI-AWEZNQCLSA-N 2 1 289.427 2.077 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)C1CCCC1 ZINC000877740969 650884070 /nfs/dbraw/zinc/88/40/70/650884070.db2.gz LKRJODFNVJAWQA-BZUAXINKSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)C1CCCC1 ZINC000877740969 650884071 /nfs/dbraw/zinc/88/40/71/650884071.db2.gz LKRJODFNVJAWQA-BZUAXINKSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)C1CCCC1 ZINC000877740969 650884072 /nfs/dbraw/zinc/88/40/72/650884072.db2.gz LKRJODFNVJAWQA-BZUAXINKSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@H]([NH2+][C@H](C)C[NH2+]C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000854232500 644019152 /nfs/dbraw/zinc/01/91/52/644019152.db2.gz RJDTZIPWENZDIS-HZSPNIEDSA-N 2 1 299.459 2.362 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925488240 644049236 /nfs/dbraw/zinc/04/92/36/644049236.db2.gz IRKHRVQYMJPLTQ-IAGOWNOFSA-N 3 1 281.488 2.476 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4ccccc4[nH]c3=O)CC[C@@H]21 ZINC000877744674 650890316 /nfs/dbraw/zinc/89/03/16/650890316.db2.gz WPGOTDWXNLPPLD-YOEHRIQHSA-N 2 1 297.402 2.466 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cc4ccccc4[nH]c3=O)CC[C@@H]21 ZINC000877744674 650890318 /nfs/dbraw/zinc/89/03/18/650890318.db2.gz WPGOTDWXNLPPLD-YOEHRIQHSA-N 2 1 297.402 2.466 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@@H]21 ZINC000877744674 650890321 /nfs/dbraw/zinc/89/03/21/650890321.db2.gz WPGOTDWXNLPPLD-YOEHRIQHSA-N 2 1 297.402 2.466 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@@H]21 ZINC000877744674 650890325 /nfs/dbraw/zinc/89/03/25/650890325.db2.gz WPGOTDWXNLPPLD-YOEHRIQHSA-N 2 1 297.402 2.466 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]CC[N@H+](C)C1CCCC1 ZINC000838936106 644091749 /nfs/dbraw/zinc/09/17/49/644091749.db2.gz NNTMAPGMVGYDNI-UHFFFAOYSA-N 2 1 284.444 2.430 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000838936106 644091751 /nfs/dbraw/zinc/09/17/51/644091751.db2.gz NNTMAPGMVGYDNI-UHFFFAOYSA-N 2 1 284.444 2.430 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000806140647 644429200 /nfs/dbraw/zinc/42/92/00/644429200.db2.gz ZGULISZHICGCMH-ULQDDVLXSA-N 2 1 278.440 2.408 20 0 CEADMP Cc1cc(C[NH2+]CCc2c[nH+]cn2C)cnc1Cl ZINC000857783077 644967398 /nfs/dbraw/zinc/96/73/98/644967398.db2.gz RXFUDSMDUAGMHQ-UHFFFAOYSA-N 2 1 264.760 2.109 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000857868926 644988771 /nfs/dbraw/zinc/98/87/71/644988771.db2.gz GMTKQGVKIGMMSP-GXTWGEPZSA-N 2 1 262.401 2.109 20 0 CEADMP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC000857868926 644988777 /nfs/dbraw/zinc/98/87/77/644988777.db2.gz GMTKQGVKIGMMSP-GXTWGEPZSA-N 2 1 262.401 2.109 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC000857868926 644988782 /nfs/dbraw/zinc/98/87/82/644988782.db2.gz GMTKQGVKIGMMSP-GXTWGEPZSA-N 2 1 262.401 2.109 20 0 CEADMP CC(C)c1ncc2c(n1)CC[N@H+](CCCCCC[NH3+])C2 ZINC000857874737 644993622 /nfs/dbraw/zinc/99/36/22/644993622.db2.gz QXLRSAKGVBBZMH-UHFFFAOYSA-N 2 1 276.428 2.477 20 0 CEADMP CC(C)(C)C1=CC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000759264186 645005670 /nfs/dbraw/zinc/00/56/70/645005670.db2.gz SRWUVTBZQWHQLA-OAHLLOKOSA-N 2 1 266.429 2.121 20 0 CEADMP CC(C)(C)C1=CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000759264186 645005672 /nfs/dbraw/zinc/00/56/72/645005672.db2.gz SRWUVTBZQWHQLA-OAHLLOKOSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@@H](C[NH2+]Cc1ccnc(F)c1)C[NH+]1CCCC1 ZINC000858100887 645061290 /nfs/dbraw/zinc/06/12/90/645061290.db2.gz QXUQYQCCFNIGGF-LBPRGKRZSA-N 2 1 251.349 2.042 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2cccc(F)c2)CC1(C)C ZINC000858110258 645064126 /nfs/dbraw/zinc/06/41/26/645064126.db2.gz OFACBJFLWOTDBQ-HUUCEWRRSA-N 2 1 280.387 2.322 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)CC1(C)C ZINC000858125636 645069087 /nfs/dbraw/zinc/06/90/87/645069087.db2.gz JFXFPOQHRIXZRQ-ZDUSSCGKSA-N 2 1 299.459 2.364 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC1OCCCO1 ZINC000759739486 645070419 /nfs/dbraw/zinc/07/04/19/645070419.db2.gz UOFYDCFXZYSGBN-UHFFFAOYSA-N 2 1 295.427 2.311 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC1OCCCO1 ZINC000759739486 645070433 /nfs/dbraw/zinc/07/04/33/645070433.db2.gz UOFYDCFXZYSGBN-UHFFFAOYSA-N 2 1 295.427 2.311 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1(C)C ZINC000858142922 645073266 /nfs/dbraw/zinc/07/32/66/645073266.db2.gz RBOSVRWBLWVFFE-SMDDNHRTSA-N 2 1 298.377 2.461 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1(C)C ZINC000858142922 645073270 /nfs/dbraw/zinc/07/32/70/645073270.db2.gz RBOSVRWBLWVFFE-SMDDNHRTSA-N 2 1 298.377 2.461 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(O)c(F)c2)CC1(C)C ZINC000858143307 645074163 /nfs/dbraw/zinc/07/41/63/645074163.db2.gz JRDUKDFYFILMKJ-LBPRGKRZSA-N 2 1 266.360 2.494 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(O)c(F)c2)CC1(C)C ZINC000858143307 645074165 /nfs/dbraw/zinc/07/41/65/645074165.db2.gz JRDUKDFYFILMKJ-LBPRGKRZSA-N 2 1 266.360 2.494 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(F)c2)[C@H](C)C1 ZINC000858147682 645074790 /nfs/dbraw/zinc/07/47/90/645074790.db2.gz XKWGQRWQLMODMO-DGCLKSJQSA-N 2 1 251.349 2.041 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(F)c2)[C@H](C)C1 ZINC000858147682 645074793 /nfs/dbraw/zinc/07/47/93/645074793.db2.gz XKWGQRWQLMODMO-DGCLKSJQSA-N 2 1 251.349 2.041 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858246173 645098000 /nfs/dbraw/zinc/09/80/00/645098000.db2.gz WUUBMFVKZBPFMB-ZDUSSCGKSA-N 2 1 251.349 2.042 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858246173 645098003 /nfs/dbraw/zinc/09/80/03/645098003.db2.gz WUUBMFVKZBPFMB-ZDUSSCGKSA-N 2 1 251.349 2.042 20 0 CEADMP Cc1ccccc1[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000759976418 645099459 /nfs/dbraw/zinc/09/94/59/645099459.db2.gz LPFAPPWDNMJTGM-DOTOQJQBSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1ccccc1[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000759976423 645099574 /nfs/dbraw/zinc/09/95/74/645099574.db2.gz LPFAPPWDNMJTGM-RDJZCZTQSA-N 2 1 276.424 2.445 20 0 CEADMP CC(C)[C@@H](O)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000878048704 650983516 /nfs/dbraw/zinc/98/35/16/650983516.db2.gz WBCLBPFGDYUOSO-INIZCTEOSA-N 2 1 270.461 2.446 20 0 CEADMP CC[C@H](C)[C@H](C)[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000878056135 650985876 /nfs/dbraw/zinc/98/58/76/650985876.db2.gz BPOSAMVGVFEWJZ-KBPBESRZSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000760900252 645209060 /nfs/dbraw/zinc/20/90/60/645209060.db2.gz VDDNQNNERNWEFN-INIZCTEOSA-N 2 1 296.455 2.336 20 0 CEADMP C[N@@H+](CCCOC(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000878125124 651007475 /nfs/dbraw/zinc/00/74/75/651007475.db2.gz MLUCLODRXNDDPI-NSHDSACASA-N 2 1 268.323 2.187 20 0 CEADMP C[NH+](CCCOC(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000878125124 651007477 /nfs/dbraw/zinc/00/74/77/651007477.db2.gz MLUCLODRXNDDPI-NSHDSACASA-N 2 1 268.323 2.187 20 0 CEADMP C[NH+](CCCOC(F)(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000878125124 651007481 /nfs/dbraw/zinc/00/74/81/651007481.db2.gz MLUCLODRXNDDPI-NSHDSACASA-N 2 1 268.323 2.187 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCn2ccnc2)cc1 ZINC000859212959 645422230 /nfs/dbraw/zinc/42/22/30/645422230.db2.gz SATBAARMOOPXBS-UHFFFAOYSA-N 2 1 272.396 2.077 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1([NH+](C)C)CCC1 ZINC000763009671 645488044 /nfs/dbraw/zinc/48/80/44/645488044.db2.gz WTLYNVXHFYYCHL-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CCC(CC)[N@H+](CC(=O)NC1CC[NH+](C)CC1)CC(C)C ZINC000878164287 651021236 /nfs/dbraw/zinc/02/12/36/651021236.db2.gz IIBXREWWCYTQTG-UHFFFAOYSA-N 2 1 297.487 2.343 20 0 CEADMP Cc1c[nH+]cn1CC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000859947132 645661694 /nfs/dbraw/zinc/66/16/94/645661694.db2.gz YIBAMEJEMQMBOG-MRXNPFEDSA-N 2 1 299.374 2.009 20 0 CEADMP Cc1c[nH+]cn1CC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000859947132 645661697 /nfs/dbraw/zinc/66/16/97/645661697.db2.gz YIBAMEJEMQMBOG-MRXNPFEDSA-N 2 1 299.374 2.009 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1F ZINC000765293065 645753933 /nfs/dbraw/zinc/75/39/33/645753933.db2.gz ZGTTWGMWJHVPRC-ZFWWWQNUSA-N 2 1 280.387 2.241 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000878236284 651042620 /nfs/dbraw/zinc/04/26/20/651042620.db2.gz WPNZYCLKFLYNBB-MRXNPFEDSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000765767842 645805369 /nfs/dbraw/zinc/80/53/69/645805369.db2.gz HTGFFRNMNCIRBV-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCN(C)C3)CC2)C1 ZINC000765767842 645805373 /nfs/dbraw/zinc/80/53/73/645805373.db2.gz HTGFFRNMNCIRBV-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000765758340 645805976 /nfs/dbraw/zinc/80/59/76/645805976.db2.gz JLEUOCNVHPJSPS-UMVBOHGHSA-N 2 1 265.401 2.232 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCCc3ccccc32)CC[N@H+]1C ZINC000765878953 645819092 /nfs/dbraw/zinc/81/90/92/645819092.db2.gz RMCRMZCJZODZMI-KYJSFNMBSA-N 2 1 288.435 2.283 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H](OC)C2)[C@@H](C)C1 ZINC000878257307 651047630 /nfs/dbraw/zinc/04/76/30/651047630.db2.gz GJGMXEBJRNYPBH-XQLPTFJDSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2C[C@@H](OC)C2)[C@@H](C)C1 ZINC000878257307 651047631 /nfs/dbraw/zinc/04/76/31/651047631.db2.gz GJGMXEBJRNYPBH-XQLPTFJDSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H](OC)C2)[C@@H](C)C1 ZINC000878257307 651047634 /nfs/dbraw/zinc/04/76/34/651047634.db2.gz GJGMXEBJRNYPBH-XQLPTFJDSA-N 2 1 254.418 2.074 20 0 CEADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)C2CC2)C1 ZINC000767411538 645988141 /nfs/dbraw/zinc/98/81/41/645988141.db2.gz MPTTZAUWRVEBPP-CQSZACIVSA-N 2 1 264.413 2.019 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)C2CC2)C1 ZINC000767411538 645988142 /nfs/dbraw/zinc/98/81/42/645988142.db2.gz MPTTZAUWRVEBPP-CQSZACIVSA-N 2 1 264.413 2.019 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)C2CC2)C1 ZINC000767411538 645988145 /nfs/dbraw/zinc/98/81/45/645988145.db2.gz MPTTZAUWRVEBPP-CQSZACIVSA-N 2 1 264.413 2.019 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)C2CC2)C1 ZINC000767411538 645988148 /nfs/dbraw/zinc/98/81/48/645988148.db2.gz MPTTZAUWRVEBPP-CQSZACIVSA-N 2 1 264.413 2.019 20 0 CEADMP CC(C)CC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000768161150 646091843 /nfs/dbraw/zinc/09/18/43/646091843.db2.gz HRQNITBWAMLCNL-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000768161150 646091846 /nfs/dbraw/zinc/09/18/46/646091846.db2.gz HRQNITBWAMLCNL-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1c(C[NH2+]C2CC[NH+](C(C)C)CC2)ccnc1F ZINC000862263593 646384952 /nfs/dbraw/zinc/38/49/52/646384952.db2.gz HYAUJKYOGNTCOW-UHFFFAOYSA-N 2 1 265.376 2.492 20 0 CEADMP c1ccc(N2CCCCC2)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000770394086 646386816 /nfs/dbraw/zinc/38/68/16/646386816.db2.gz FAUGNCOIADHQPD-IRXDYDNUSA-N 2 1 285.435 2.328 20 0 CEADMP CC[N@H+](CCC1CC[NH+]([C@@H]2CCOC2=O)CC1)CC1CC1 ZINC000771475301 646523247 /nfs/dbraw/zinc/52/32/47/646523247.db2.gz IAPOGVYHIVKCPJ-MRXNPFEDSA-N 2 1 294.439 2.136 20 0 CEADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCOC2=O)CC1)CC1CC1 ZINC000771475301 646523250 /nfs/dbraw/zinc/52/32/50/646523250.db2.gz IAPOGVYHIVKCPJ-MRXNPFEDSA-N 2 1 294.439 2.136 20 0 CEADMP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000772977713 646692198 /nfs/dbraw/zinc/69/21/98/646692198.db2.gz LQEMYLKQZZMEBW-UKRRQHHQSA-N 2 1 297.443 2.068 20 0 CEADMP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000772977713 646692201 /nfs/dbraw/zinc/69/22/01/646692201.db2.gz LQEMYLKQZZMEBW-UKRRQHHQSA-N 2 1 297.443 2.068 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)Nc2ccc(C[NH+](C)C)cc2)CC[N@H+]1C ZINC000864729071 647092294 /nfs/dbraw/zinc/09/22/94/647092294.db2.gz UGZISNYHKDOQOU-JKSUJKDBSA-N 2 1 289.423 2.417 20 0 CEADMP Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(C)o1 ZINC000120232957 647105513 /nfs/dbraw/zinc/10/55/13/647105513.db2.gz MVMWKLZZNTUOSL-INIZCTEOSA-N 2 1 280.412 2.223 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(CNC(C)=O)CC2)C1 ZINC000865428637 647288122 /nfs/dbraw/zinc/28/81/22/647288122.db2.gz XSCKQLCUEHWLGA-CGZBRXJRSA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC(CNC(C)=O)CC2)C1 ZINC000865437898 647292453 /nfs/dbraw/zinc/29/24/53/647292453.db2.gz WJGFUAQBONNAHP-CGZBRXJRSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H](CNc1cc[nH+]cc1C(F)(F)F)[N@@H+](C)C1CC1 ZINC000865504559 647329906 /nfs/dbraw/zinc/32/99/06/647329906.db2.gz SHEQWJDELOOHNV-SECBINFHSA-N 2 1 273.302 2.417 20 0 CEADMP CC(=O)NCC1CCC([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC000865596361 647377750 /nfs/dbraw/zinc/37/77/50/647377750.db2.gz OWISNFXYZZILIB-UHFFFAOYSA-N 2 1 295.471 2.145 20 0 CEADMP CC(=O)NCC1CCC([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC000865596361 647377753 /nfs/dbraw/zinc/37/77/53/647377753.db2.gz OWISNFXYZZILIB-UHFFFAOYSA-N 2 1 295.471 2.145 20 0 CEADMP CC1(C)CC[C@@H](O)[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000865699603 647430185 /nfs/dbraw/zinc/43/01/85/647430185.db2.gz CPKNOUIBVUKKOS-GBJTYRQASA-N 2 1 266.429 2.142 20 0 CEADMP Cc1[nH]ncc1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865773500 647458409 /nfs/dbraw/zinc/45/84/09/647458409.db2.gz BBZIXYJXBQAMDD-UHFFFAOYSA-N 2 1 298.434 2.471 20 0 CEADMP C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781416640 647525441 /nfs/dbraw/zinc/52/54/41/647525441.db2.gz LCCAAAALVSURDN-KGLIPLIRSA-N 2 1 276.428 2.163 20 0 CEADMP C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781416640 647525442 /nfs/dbraw/zinc/52/54/42/647525442.db2.gz LCCAAAALVSURDN-KGLIPLIRSA-N 2 1 276.428 2.163 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC1(c2ccccc2)CC1 ZINC000781930064 647573320 /nfs/dbraw/zinc/57/33/20/647573320.db2.gz QCMWVJNNXQWAMF-QGZVFWFLSA-N 2 1 288.435 2.107 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC1(c2ccccc2)CC1 ZINC000781930064 647573324 /nfs/dbraw/zinc/57/33/24/647573324.db2.gz QCMWVJNNXQWAMF-QGZVFWFLSA-N 2 1 288.435 2.107 20 0 CEADMP Cc1cccc(C[C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000866261474 647701939 /nfs/dbraw/zinc/70/19/39/647701939.db2.gz UBNJEEGMSOCVCB-CGTJXYLNSA-N 2 1 288.435 2.379 20 0 CEADMP Cc1cccc(C[C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000866261474 647701942 /nfs/dbraw/zinc/70/19/42/647701942.db2.gz UBNJEEGMSOCVCB-CGTJXYLNSA-N 2 1 288.435 2.379 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC1([NH+](C)C)CCC1 ZINC000783751932 647756331 /nfs/dbraw/zinc/75/63/31/647756331.db2.gz QRXHJORHQGVEMI-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP C[C@@H](CCO)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866561722 647825447 /nfs/dbraw/zinc/82/54/47/647825447.db2.gz KCJPNGZEQSAHRP-ZFWWWQNUSA-N 2 1 254.418 2.144 20 0 CEADMP C[C@@H](CCO)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000866561722 647825449 /nfs/dbraw/zinc/82/54/49/647825449.db2.gz KCJPNGZEQSAHRP-ZFWWWQNUSA-N 2 1 254.418 2.144 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000866665562 647861462 /nfs/dbraw/zinc/86/14/62/647861462.db2.gz XWYZYLPLOUCCTO-WBVHZDCISA-N 2 1 289.423 2.383 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000866665562 647861465 /nfs/dbraw/zinc/86/14/65/647861465.db2.gz XWYZYLPLOUCCTO-WBVHZDCISA-N 2 1 289.423 2.383 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000866704160 647875584 /nfs/dbraw/zinc/87/55/84/647875584.db2.gz RFKIOHRQZYGMLD-QGZVFWFLSA-N 2 1 289.423 2.322 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000866704160 647875589 /nfs/dbraw/zinc/87/55/89/647875589.db2.gz RFKIOHRQZYGMLD-QGZVFWFLSA-N 2 1 289.423 2.322 20 0 CEADMP CCCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703493 647876074 /nfs/dbraw/zinc/87/60/74/647876074.db2.gz IDNGJCPROHSFEZ-PBHICJAKSA-N 2 1 297.487 2.378 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000866708004 647877910 /nfs/dbraw/zinc/87/79/10/647877910.db2.gz KWJRTBFEYNLIAD-ZFWWWQNUSA-N 2 1 254.418 2.252 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709012 647878219 /nfs/dbraw/zinc/87/82/19/647878219.db2.gz UMIBBNNSDWPMQX-MRXNPFEDSA-N 2 1 284.444 2.417 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000785427215 647928013 /nfs/dbraw/zinc/92/80/13/647928013.db2.gz NSSBZFATMNJHBW-KGLIPLIRSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000785427215 647928014 /nfs/dbraw/zinc/92/80/14/647928014.db2.gz NSSBZFATMNJHBW-KGLIPLIRSA-N 2 1 263.360 2.246 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(C[NH3+])c1 ZINC000019264191 649215690 /nfs/dbraw/zinc/21/56/90/649215690.db2.gz OUXCTIXGVKLQGL-CQSZACIVSA-N 2 1 289.423 2.140 20 0 CEADMP C[C@]1(C2CCCCC2)CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000871991831 649239289 /nfs/dbraw/zinc/23/92/89/649239289.db2.gz LIUMUQKIEDEEGV-DLBZAZTESA-N 2 1 280.456 2.488 20 0 CEADMP C[C@]1(C2CCCCC2)CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000871991831 649239293 /nfs/dbraw/zinc/23/92/93/649239293.db2.gz LIUMUQKIEDEEGV-DLBZAZTESA-N 2 1 280.456 2.488 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)COC)[C@@H](C)C1 ZINC000872105479 649278654 /nfs/dbraw/zinc/27/86/54/649278654.db2.gz JBELQYULRFHFHN-UONOGXRCSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000872141240 649290443 /nfs/dbraw/zinc/29/04/43/649290443.db2.gz AGQUSGBBMLDNFO-LLVKDONJSA-N 2 1 263.385 2.113 20 0 CEADMP C([C@H]1CC2(CCC2)CO1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000872142678 649292467 /nfs/dbraw/zinc/29/24/67/649292467.db2.gz CHDWYHWHMPCSDO-ZBFHGGJFSA-N 2 1 264.413 2.021 20 0 CEADMP C([C@@H]1CC2(CCC2)CO1)[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000872143683 649293619 /nfs/dbraw/zinc/29/36/19/649293619.db2.gz VYPHYPMVTWSFRD-JYJNAYRXSA-N 2 1 278.440 2.410 20 0 CEADMP C([C@@H]1CC2(CCC2)CO1)[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000872143681 649294150 /nfs/dbraw/zinc/29/41/50/649294150.db2.gz VYPHYPMVTWSFRD-HRCADAONSA-N 2 1 278.440 2.410 20 0 CEADMP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000872153907 649298617 /nfs/dbraw/zinc/29/86/17/649298617.db2.gz JPVSHPYTJCMYSO-WOPDTQHZSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000872153907 649298620 /nfs/dbraw/zinc/29/86/20/649298620.db2.gz JPVSHPYTJCMYSO-WOPDTQHZSA-N 2 1 280.334 2.028 20 0 CEADMP Cc1cc(C[N@@H+](C)CCCCCC[NH3+])nc(C)n1 ZINC000872155745 649299678 /nfs/dbraw/zinc/29/96/78/649299678.db2.gz VTQTXSHJRWKQSL-UHFFFAOYSA-N 2 1 250.390 2.044 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317699 649355537 /nfs/dbraw/zinc/35/55/37/649355537.db2.gz CAVXPVRHGODCIL-UHFFFAOYSA-N 2 1 299.422 2.319 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317699 649355539 /nfs/dbraw/zinc/35/55/39/649355539.db2.gz CAVXPVRHGODCIL-UHFFFAOYSA-N 2 1 299.422 2.319 20 0 CEADMP C[C@H]1C[C@H](Nc2cc[nH+]cc2C2CC2)C[N@H+]1C1CC1 ZINC000872476853 649400801 /nfs/dbraw/zinc/40/08/01/649400801.db2.gz ARUSDVFWHDLTSI-AAEUAGOBSA-N 2 1 257.381 2.418 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)o1 ZINC000873224281 649597564 /nfs/dbraw/zinc/59/75/64/649597564.db2.gz ZKUSSTUTUNYCNF-MRXNPFEDSA-N 2 1 294.395 2.263 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)o1 ZINC000873224281 649597566 /nfs/dbraw/zinc/59/75/66/649597566.db2.gz ZKUSSTUTUNYCNF-MRXNPFEDSA-N 2 1 294.395 2.263 20 0 CEADMP Cc1csc([C@H]2CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000873227105 649598525 /nfs/dbraw/zinc/59/85/25/649598525.db2.gz HDSCVORKURPHRJ-GXTWGEPZSA-N 2 1 265.426 2.240 20 0 CEADMP CC(=O)Nc1ccc2c(c1)C[N@@H+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000873229396 649600321 /nfs/dbraw/zinc/60/03/21/649600321.db2.gz WHFYPGFWMSETFG-KRWDZBQOSA-N 2 1 287.407 2.003 20 0 CEADMP CC(=O)Nc1ccc2c(c1)C[N@H+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000873229396 649600322 /nfs/dbraw/zinc/60/03/22/649600322.db2.gz WHFYPGFWMSETFG-KRWDZBQOSA-N 2 1 287.407 2.003 20 0 CEADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873230273 649602038 /nfs/dbraw/zinc/60/20/38/649602038.db2.gz OMZMDEQGAYITSM-KBRIMQKVSA-N 2 1 272.392 2.427 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)[C@@H]1C ZINC000873237718 649604829 /nfs/dbraw/zinc/60/48/29/649604829.db2.gz TXZZIMDVOVRUIS-QPSCCSFWSA-N 2 1 296.455 2.332 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@@H](N)c2ccccc21)C1CC[NH2+]CC1 ZINC000873269847 649619855 /nfs/dbraw/zinc/61/98/55/649619855.db2.gz LMXKRBDGXZQXOW-LYRGGWFBSA-N 2 1 259.397 2.109 20 0 CEADMP C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)[C@H]1CCC[NH2+]1 ZINC000873276340 649622287 /nfs/dbraw/zinc/62/22/87/649622287.db2.gz SMDYHLBQOZJAFQ-MCIONIFRSA-N 2 1 252.402 2.208 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)[C@H]1CCCC[NH2+]1 ZINC000873281671 649624194 /nfs/dbraw/zinc/62/41/94/649624194.db2.gz OIXKICCCDWHROZ-ZQNQSHIBSA-N 2 1 252.402 2.064 20 0 CEADMP Nc1cc(F)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000873289446 649628352 /nfs/dbraw/zinc/62/83/52/649628352.db2.gz UZTFESDEMRFDOY-LSDHHAIUSA-N 2 1 263.360 2.124 20 0 CEADMP Nc1cc(F)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000873289446 649628354 /nfs/dbraw/zinc/62/83/54/649628354.db2.gz UZTFESDEMRFDOY-LSDHHAIUSA-N 2 1 263.360 2.124 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)c3ccccc3)C2)CC1 ZINC000878863906 651199887 /nfs/dbraw/zinc/19/98/87/651199887.db2.gz JRVUJGRDFGJKGU-INIZCTEOSA-N 2 1 274.408 2.138 20 0 CEADMP COCC[N@@H+](C/C=C\Cl)CC1CC[NH+](C)CC1 ZINC000879121799 651246900 /nfs/dbraw/zinc/24/69/00/651246900.db2.gz GLEPZMOQXNPTFH-UTCJRWHESA-N 2 1 260.809 2.029 20 0 CEADMP COCC[N@H+](Cc1cncc(C)c1)CC1CC[NH+](C)CC1 ZINC000879127545 651247426 /nfs/dbraw/zinc/24/74/26/651247426.db2.gz YDUYEKWUYKUKIH-UHFFFAOYSA-N 2 1 291.439 2.180 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCCCCNC(=O)CC1 ZINC000879256233 651271526 /nfs/dbraw/zinc/27/15/26/651271526.db2.gz YPMHSMKXOCMZIB-UHFFFAOYSA-N 2 1 283.460 2.101 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000879573712 651324781 /nfs/dbraw/zinc/32/47/81/651324781.db2.gz QAEJRTSMJZUFIC-SJORKVTESA-N 2 1 286.419 2.190 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000879573712 651324784 /nfs/dbraw/zinc/32/47/84/651324784.db2.gz QAEJRTSMJZUFIC-SJORKVTESA-N 2 1 286.419 2.190 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000879573712 651324785 /nfs/dbraw/zinc/32/47/85/651324785.db2.gz QAEJRTSMJZUFIC-SJORKVTESA-N 2 1 286.419 2.190 20 0 CEADMP COC(=O)C1(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)CC1 ZINC000879703075 651341657 /nfs/dbraw/zinc/34/16/57/651341657.db2.gz DDUPNMGIRCHMNM-UHFFFAOYSA-N 2 1 296.455 2.239 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879734229 651344450 /nfs/dbraw/zinc/34/44/50/651344450.db2.gz GOFJIZMUVORXCL-AWEZNQCLSA-N 2 1 263.385 2.044 20 0 CEADMP CC[C@H](O)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879948993 651363987 /nfs/dbraw/zinc/36/39/87/651363987.db2.gz PXPMFNINDKXDCG-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP CCC1([NH+]2CCCCC2)CC[NH+](CC[C@@H](C)O)CC1 ZINC000880255000 651410481 /nfs/dbraw/zinc/41/04/81/651410481.db2.gz WGZPLDAWNVBJDM-OAHLLOKOSA-N 2 1 268.445 2.488 20 0 CEADMP Cc1cnc([C@H](C)[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cn1 ZINC000880258581 651411138 /nfs/dbraw/zinc/41/11/38/651411138.db2.gz ISEBKQQNYKKVCX-CABCVRRESA-N 2 1 297.406 2.452 20 0 CEADMP Cc1cnc([C@H](C)[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cn1 ZINC000880258581 651411140 /nfs/dbraw/zinc/41/11/40/651411140.db2.gz ISEBKQQNYKKVCX-CABCVRRESA-N 2 1 297.406 2.452 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)CCN1c1cc[nH+]cc1 ZINC000880259120 651411504 /nfs/dbraw/zinc/41/15/04/651411504.db2.gz MYDQYPAJWDYVFZ-GDBMZVCRSA-N 2 1 289.423 2.407 20 0 CEADMP CO[C@@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C1CC1 ZINC000880259689 651411576 /nfs/dbraw/zinc/41/15/76/651411576.db2.gz ZFBUDRXRMCAXFN-BBRMVZONSA-N 2 1 275.396 2.017 20 0 CEADMP Cc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)nc(C)n1 ZINC000880258914 651411857 /nfs/dbraw/zinc/41/18/57/651411857.db2.gz KKBVMWPBNXNRKR-CQSZACIVSA-N 2 1 297.406 2.199 20 0 CEADMP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)nc(C)n1 ZINC000880258914 651411859 /nfs/dbraw/zinc/41/18/59/651411859.db2.gz KKBVMWPBNXNRKR-CQSZACIVSA-N 2 1 297.406 2.199 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@H]2CCCCO2)CCN1c1cc[nH+]cc1 ZINC000880260130 651412299 /nfs/dbraw/zinc/41/22/99/651412299.db2.gz BFCAIKWELIIDNV-HOCLYGCPSA-N 2 1 275.396 2.161 20 0 CEADMP C[C@H]1C[N@@H+](CC2(O)CCCCC2)CCN1c1cc[nH+]cc1 ZINC000880261265 651412302 /nfs/dbraw/zinc/41/23/02/651412302.db2.gz HYUSSIQBBSSQPR-HNNXBMFYSA-N 2 1 289.423 2.287 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc3oc(=O)oc3c2)CC1 ZINC000882881055 652247036 /nfs/dbraw/zinc/24/70/36/652247036.db2.gz WDRRNUOWCOGDRV-UHFFFAOYSA-N 2 1 290.363 2.350 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000882981720 652302399 /nfs/dbraw/zinc/30/23/99/652302399.db2.gz RQCNWRANVRINFW-PIIMJCKOSA-N 2 1 293.499 2.428 20 0 CEADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000130932982 652358426 /nfs/dbraw/zinc/35/84/26/652358426.db2.gz WYMPJKXUMFKNRR-QWHCGFSZSA-N 2 1 278.396 2.354 20 0 CEADMP COC[C@H]([NH2+]CCCCn1cc[nH+]c1C)[C@H]1CCCOC1 ZINC000883192812 652395276 /nfs/dbraw/zinc/39/52/76/652395276.db2.gz IKNWWCYSPZKOIU-HOTGVXAUSA-N 2 1 295.427 2.003 20 0 CEADMP COC[C@H]([NH2+]CCCCn1cc[nH+]c1C)[C@@H]1CCCOC1 ZINC000883192811 652395376 /nfs/dbraw/zinc/39/53/76/652395376.db2.gz IKNWWCYSPZKOIU-CVEARBPZSA-N 2 1 295.427 2.003 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000883429117 652466492 /nfs/dbraw/zinc/46/64/92/652466492.db2.gz MCUKSBIOAKFASU-UONOGXRCSA-N 2 1 263.385 2.113 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)O1 ZINC000883430160 652467328 /nfs/dbraw/zinc/46/73/28/652467328.db2.gz ODCMYXOFUIEQSJ-ZBFHGGJFSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C[C@@H]1C[NH3+] ZINC000883433683 652468130 /nfs/dbraw/zinc/46/81/30/652468130.db2.gz WSKLITQGTKIDOL-UGUYLWEFSA-N 2 1 296.455 2.020 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CCN1c1cc[nH+]cc1 ZINC000883447623 652473386 /nfs/dbraw/zinc/47/33/86/652473386.db2.gz HDYRAQIRBMLJCZ-OAHLLOKOSA-N 2 1 276.428 2.111 20 0 CEADMP c1ccc2c(c1)C[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCCN21 ZINC000883461883 652477875 /nfs/dbraw/zinc/47/78/75/652477875.db2.gz FSKNDEVBCIJUMA-RDJZCZTQSA-N 2 1 285.435 2.471 20 0 CEADMP COc1cc2c(cc1OC)C(C)(C)[N@H+](CCC[NH3+])CC2 ZINC000883461486 652477998 /nfs/dbraw/zinc/47/79/98/652477998.db2.gz WCFGZMPOMJJTNA-UHFFFAOYSA-N 2 1 278.396 2.146 20 0 CEADMP COc1cc2c(cc1OC)C(C)(C)[N@@H+](CCC[NH3+])CC2 ZINC000883461486 652478000 /nfs/dbraw/zinc/47/80/00/652478000.db2.gz WCFGZMPOMJJTNA-UHFFFAOYSA-N 2 1 278.396 2.146 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000884188689 652747083 /nfs/dbraw/zinc/74/70/83/652747083.db2.gz NMILPAGTWGBVCG-ZNMIVQPWSA-N 2 1 297.487 2.375 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884203707 652750168 /nfs/dbraw/zinc/75/01/68/652750168.db2.gz CIJVLHDAXYSBMI-GJZGRUSLSA-N 2 1 295.471 2.003 20 0 CEADMP CCC1([NH+]2CCC2)CCN(c2cc(CO)cc(C)[nH+]2)CC1 ZINC000884717580 652970050 /nfs/dbraw/zinc/97/00/50/652970050.db2.gz GHMCVGZKAFTJEX-UHFFFAOYSA-N 2 1 289.423 2.337 20 0 CEADMP Cc1[nH+]c(N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc2[nH]ccc21 ZINC001164637670 719228029 /nfs/dbraw/zinc/22/80/29/719228029.db2.gz MGZGXKLUGGEVBL-GHMZBOCLSA-N 2 1 258.369 2.400 20 0 CEADMP CN(CC1CC[NH+](C)CC1)c1ccc2c([nH+]1)CCC2 ZINC001165041392 721932872 /nfs/dbraw/zinc/93/28/72/721932872.db2.gz UHJXAHLZOZASNQ-UHFFFAOYSA-N 2 1 259.397 2.348 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1CC ZINC001087726070 805781149 /nfs/dbraw/zinc/78/11/49/805781149.db2.gz PVBCDFHOTWEJPN-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1CC ZINC001087726070 805781154 /nfs/dbraw/zinc/78/11/54/805781154.db2.gz PVBCDFHOTWEJPN-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H]1CC ZINC001087726070 805781160 /nfs/dbraw/zinc/78/11/60/805781160.db2.gz PVBCDFHOTWEJPN-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CC(C)C ZINC001087726118 805781493 /nfs/dbraw/zinc/78/14/93/805781493.db2.gz RTDUIRKWCAJZTQ-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CC(C)C ZINC001087726118 805781497 /nfs/dbraw/zinc/78/14/97/805781497.db2.gz RTDUIRKWCAJZTQ-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CC(C)C ZINC001087726118 805781502 /nfs/dbraw/zinc/78/15/02/805781502.db2.gz RTDUIRKWCAJZTQ-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1CC ZINC001087829232 805805993 /nfs/dbraw/zinc/80/59/93/805805993.db2.gz QZDSIMBVHHRQHN-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1CC ZINC001087829232 805806003 /nfs/dbraw/zinc/80/60/03/805806003.db2.gz QZDSIMBVHHRQHN-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168029802 805822408 /nfs/dbraw/zinc/82/24/08/805822408.db2.gz KBEUFYWZZMQLEL-HZPDHXFCSA-N 2 1 295.471 2.289 20 0 CEADMP CC(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001088280120 806081200 /nfs/dbraw/zinc/08/12/00/806081200.db2.gz JFQUBKAAHNHRNT-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC)C1 ZINC001088323793 806118247 /nfs/dbraw/zinc/11/82/47/806118247.db2.gz ZCOKMHYTOJKMRT-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001088413753 806194140 /nfs/dbraw/zinc/19/41/40/806194140.db2.gz NYZDYPXDPUMXGO-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH+](C)C)CC1)C2 ZINC001168259750 806451263 /nfs/dbraw/zinc/45/12/63/806451263.db2.gz KJPFTONHDPEYLX-INIZCTEOSA-N 2 1 274.408 2.188 20 0 CEADMP COc1ccc2c(c1)C[C@H]([N@@H+](C)CC1CC[NH+](C)CC1)C2 ZINC001168274684 806562914 /nfs/dbraw/zinc/56/29/14/806562914.db2.gz VHTORFYLGFAXCV-QGZVFWFLSA-N 2 1 288.435 2.436 20 0 CEADMP C[NH+](C)C1CCC([N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CC1 ZINC001168318818 806649750 /nfs/dbraw/zinc/64/97/50/806649750.db2.gz HJTFARCZEAIPNW-LLZFXZEUSA-N 2 1 250.386 2.055 20 0 CEADMP C[C@@H](CCNC1=[NH+]CCCCN1)[N@@H+](C)Cc1ccccc1 ZINC000697747098 806684824 /nfs/dbraw/zinc/68/48/24/806684824.db2.gz NFVFMNXPMHVCMG-HNNXBMFYSA-N 2 1 288.439 2.226 20 0 CEADMP C[C@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC001208884549 802429713 /nfs/dbraw/zinc/42/97/13/802429713.db2.gz ACYPWDROTUSSMF-LLVKDONJSA-N 2 1 273.302 2.402 20 0 CEADMP C[C@@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC001208884550 802430157 /nfs/dbraw/zinc/43/01/57/802430157.db2.gz ACYPWDROTUSSMF-NSHDSACASA-N 2 1 273.302 2.402 20 0 CEADMP COCOCCC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001209030213 802458063 /nfs/dbraw/zinc/45/80/63/802458063.db2.gz SLSDZUONLMAEPX-MRXNPFEDSA-N 2 1 284.444 2.337 20 0 CEADMP COCOCCC[N@@H+](C1CCCC1)C1CCN(C)CC1 ZINC001209032550 802459259 /nfs/dbraw/zinc/45/92/59/802459259.db2.gz XLENHYKLCDEPSJ-UHFFFAOYSA-N 2 1 284.444 2.336 20 0 CEADMP CC(C)N1CCOC[C@]2(CCC[N@@H+](C[C@H]3C[C@H]3C)C2)C1 ZINC001209419234 802515301 /nfs/dbraw/zinc/51/53/01/802515301.db2.gz WFONJTUDNFJUQD-ZACQAIPSSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@H]3C[C@H]3C)C2)C1 ZINC001209419234 802515307 /nfs/dbraw/zinc/51/53/07/802515307.db2.gz WFONJTUDNFJUQD-ZACQAIPSSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C[C@H]3C[C@H]3C)C2)C1 ZINC001209419234 802515311 /nfs/dbraw/zinc/51/53/11/802515311.db2.gz WFONJTUDNFJUQD-ZACQAIPSSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C[C@H]3C[C@H]3C)C2)C1 ZINC001209419234 802515316 /nfs/dbraw/zinc/51/53/16/802515316.db2.gz WFONJTUDNFJUQD-ZACQAIPSSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@H]3C[C@H]3C)C2)C1 ZINC001209419234 802515322 /nfs/dbraw/zinc/51/53/22/802515322.db2.gz WFONJTUDNFJUQD-ZACQAIPSSA-N 2 1 280.456 2.465 20 0 CEADMP c1cc2c(c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c1)OCC2 ZINC000693113645 802654519 /nfs/dbraw/zinc/65/45/19/802654519.db2.gz ZGPGLPBLVOEKLJ-JKSUJKDBSA-N 2 1 272.392 2.338 20 0 CEADMP c1cc2c(c(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c1)OCC2 ZINC000693113645 802654525 /nfs/dbraw/zinc/65/45/25/802654525.db2.gz ZGPGLPBLVOEKLJ-JKSUJKDBSA-N 2 1 272.392 2.338 20 0 CEADMP C[C@H]1CC[N@H+](CCCc2cccc(F)c2)CC[NH2+]1 ZINC001210475445 802690303 /nfs/dbraw/zinc/69/03/03/802690303.db2.gz NPEQQPUBZOKCBC-ZDUSSCGKSA-N 2 1 250.361 2.442 20 0 CEADMP C[C@H]1CC[N@@H+](CCCc2cccc(F)c2)CC[NH2+]1 ZINC001210475445 802690305 /nfs/dbraw/zinc/69/03/05/802690305.db2.gz NPEQQPUBZOKCBC-ZDUSSCGKSA-N 2 1 250.361 2.442 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]C[C@@H](C)CC)C1 ZINC001210788488 802734524 /nfs/dbraw/zinc/73/45/24/802734524.db2.gz DQLWEPYOTBKLCG-JKSUJKDBSA-N 2 1 297.487 2.345 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000723146818 802815839 /nfs/dbraw/zinc/81/58/39/802815839.db2.gz MXIBSAOIJVEJPD-NOOOWODRSA-N 2 1 264.335 2.492 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000723609302 802903337 /nfs/dbraw/zinc/90/33/37/802903337.db2.gz LSDSYZPOIWBDKI-QKPAOTATSA-N 2 1 266.429 2.123 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000723664491 802922285 /nfs/dbraw/zinc/92/22/85/802922285.db2.gz OPRXCGSABZIAOQ-YCPHGPKFSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@@H]1CC[C@@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C[NH2+]1 ZINC000399010982 802933256 /nfs/dbraw/zinc/93/32/56/802933256.db2.gz XSQLVUCQGIYQAH-NXHRZFHOSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]CCCOCc2ccccc2)C[NH2+]1 ZINC000399025126 802935889 /nfs/dbraw/zinc/93/58/89/802935889.db2.gz GXTGMSABNMWVRY-GOEBONIOSA-N 2 1 262.397 2.323 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC1=CCCCC1 ZINC001266949648 803016476 /nfs/dbraw/zinc/01/64/76/803016476.db2.gz VZZDSQDDCLKOCP-GDBMZVCRSA-N 2 1 293.455 2.065 20 0 CEADMP CCc1noc([C@@H]2CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)n1 ZINC001207283500 803128276 /nfs/dbraw/zinc/12/82/76/803128276.db2.gz ZOKVREFSRGDCLI-CYBMUJFWSA-N 2 1 294.443 2.399 20 0 CEADMP CCc1noc([C@@H]2CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)n1 ZINC001207283500 803128283 /nfs/dbraw/zinc/12/82/83/803128283.db2.gz ZOKVREFSRGDCLI-CYBMUJFWSA-N 2 1 294.443 2.399 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001267171774 803191780 /nfs/dbraw/zinc/19/17/80/803191780.db2.gz OAKOSVYFIBWJOA-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267171774 803191784 /nfs/dbraw/zinc/19/17/84/803191784.db2.gz OAKOSVYFIBWJOA-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001267171774 803191788 /nfs/dbraw/zinc/19/17/88/803191788.db2.gz OAKOSVYFIBWJOA-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001267182282 803200560 /nfs/dbraw/zinc/20/05/60/803200560.db2.gz YOGIRMWKPDGMOR-INIZCTEOSA-N 2 1 295.471 2.243 20 0 CEADMP CN(C)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001204604416 803256549 /nfs/dbraw/zinc/25/65/49/803256549.db2.gz MUPOWYQZDXMZOO-QGZVFWFLSA-N 2 1 289.467 2.440 20 0 CEADMP C[NH+](C)CCN(CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001204604416 803256553 /nfs/dbraw/zinc/25/65/53/803256553.db2.gz MUPOWYQZDXMZOO-QGZVFWFLSA-N 2 1 289.467 2.440 20 0 CEADMP CC(C)[NH2+]CC[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001246452628 813830516 /nfs/dbraw/zinc/83/05/16/813830516.db2.gz KTVYXRZIFQTPPU-CYBMUJFWSA-N 2 1 268.351 2.410 20 0 CEADMP CC(C)=CC[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001267589173 803574545 /nfs/dbraw/zinc/57/45/45/803574545.db2.gz LWFHRTWMQAFSJD-INIZCTEOSA-N 2 1 295.471 2.075 20 0 CEADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009485 803600210 /nfs/dbraw/zinc/60/02/10/803600210.db2.gz FHMWSLUBTRMVOS-RDJZCZTQSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112009485 803600212 /nfs/dbraw/zinc/60/02/12/803600212.db2.gz FHMWSLUBTRMVOS-RDJZCZTQSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112009485 803600217 /nfs/dbraw/zinc/60/02/17/803600217.db2.gz FHMWSLUBTRMVOS-RDJZCZTQSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)[C@@H]1CC[NH3+] ZINC000715396593 814953340 /nfs/dbraw/zinc/95/33/40/814953340.db2.gz VJSRGKWBPPLCNQ-SLBVQIDZSA-N 2 1 266.429 2.393 20 0 CEADMP CCCCCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267732474 803682385 /nfs/dbraw/zinc/68/23/85/803682385.db2.gz RGSHXBNMZFWIHY-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267732474 803682389 /nfs/dbraw/zinc/68/23/89/803682389.db2.gz RGSHXBNMZFWIHY-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267732474 803682392 /nfs/dbraw/zinc/68/23/92/803682392.db2.gz RGSHXBNMZFWIHY-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267788876 803735038 /nfs/dbraw/zinc/73/50/38/803735038.db2.gz ARNQPCHUMYUXIU-CVEARBPZSA-N 2 1 297.487 2.440 20 0 CEADMP C([C@H]1CC[C@H](C2CC2)O1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715392265 814963613 /nfs/dbraw/zinc/96/36/13/814963613.db2.gz IODCTZBVVFVZAR-LVQVYYBASA-N 2 1 264.413 2.018 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000709358551 803828167 /nfs/dbraw/zinc/82/81/67/803828167.db2.gz XUUWBXYVZLJZMZ-KBAYOESNSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000709358551 803828175 /nfs/dbraw/zinc/82/81/75/803828175.db2.gz XUUWBXYVZLJZMZ-KBAYOESNSA-N 3 1 287.451 2.239 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000709358551 803828185 /nfs/dbraw/zinc/82/81/85/803828185.db2.gz XUUWBXYVZLJZMZ-KBAYOESNSA-N 3 1 287.451 2.239 20 0 CEADMP COc1[nH+]ccc(NCCC[N@@H+]2CCCC[C@H]2C)c1N ZINC001167752261 803836888 /nfs/dbraw/zinc/83/68/88/803836888.db2.gz STGAAMJWWDGUEB-GFCCVEGCSA-N 2 1 278.400 2.349 20 0 CEADMP COc1[nH+]ccc(NCCC[N@H+]2CCCC[C@H]2C)c1N ZINC001167752261 803836898 /nfs/dbraw/zinc/83/68/98/803836898.db2.gz STGAAMJWWDGUEB-GFCCVEGCSA-N 2 1 278.400 2.349 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715531244 814972970 /nfs/dbraw/zinc/97/29/70/814972970.db2.gz IUERONCQZHHGMI-RRFJBIMHSA-N 2 1 254.418 2.249 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(F)(F)C3)C[C@@H]2C1 ZINC000931439744 803969156 /nfs/dbraw/zinc/96/91/56/803969156.db2.gz YSMKYTKQHLFRNH-UPJWGTAASA-N 2 1 258.356 2.305 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@@H]2C1 ZINC000931439744 803969166 /nfs/dbraw/zinc/96/91/66/803969166.db2.gz YSMKYTKQHLFRNH-UPJWGTAASA-N 2 1 258.356 2.305 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@@H]2C1 ZINC000931439744 803969171 /nfs/dbraw/zinc/96/91/71/803969171.db2.gz YSMKYTKQHLFRNH-UPJWGTAASA-N 2 1 258.356 2.305 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001027417638 804065745 /nfs/dbraw/zinc/06/57/45/804065745.db2.gz FHXXJYKPADSVKJ-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001027417638 804065755 /nfs/dbraw/zinc/06/57/55/804065755.db2.gz FHXXJYKPADSVKJ-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001027417638 804065763 /nfs/dbraw/zinc/06/57/63/804065763.db2.gz FHXXJYKPADSVKJ-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1C(C)C ZINC001027985717 804382732 /nfs/dbraw/zinc/38/27/32/804382732.db2.gz NEDDYKOJPVPAEX-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C(C)C ZINC001027985717 804382741 /nfs/dbraw/zinc/38/27/41/804382741.db2.gz NEDDYKOJPVPAEX-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1C(C)C ZINC001027985717 804382748 /nfs/dbraw/zinc/38/27/48/804382748.db2.gz NEDDYKOJPVPAEX-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC001118427095 815014247 /nfs/dbraw/zinc/01/42/47/815014247.db2.gz HBZABYTVGLUUEJ-FRRDWIJNSA-N 2 1 258.356 2.494 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)[C@H]1CCCC[NH2+]1 ZINC000722389866 804413010 /nfs/dbraw/zinc/41/30/10/804413010.db2.gz RBLUQVIQIQSEJG-NNYUYHANSA-N 2 1 280.334 2.217 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCn2nccc2C1 ZINC001167835285 804425184 /nfs/dbraw/zinc/42/51/84/804425184.db2.gz RAACIIREJDAADR-CQSZACIVSA-N 2 1 264.417 2.209 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C1CC1)C1COC1 ZINC001167838492 804431358 /nfs/dbraw/zinc/43/13/58/804431358.db2.gz VMZXBCVAEICKEU-ZDUSSCGKSA-N 2 1 254.418 2.360 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000722400877 804453011 /nfs/dbraw/zinc/45/30/11/804453011.db2.gz ZNYKLFSMYYGBRG-ZLOUSURVSA-N 2 1 292.345 2.441 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000722400877 804453015 /nfs/dbraw/zinc/45/30/15/804453015.db2.gz ZNYKLFSMYYGBRG-ZLOUSURVSA-N 2 1 292.345 2.441 20 0 CEADMP C[N@@H+](C[C@H](O)CC1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000300072255 804617801 /nfs/dbraw/zinc/61/78/01/804617801.db2.gz LQKJPXBWIQDTTA-VFSICIBPSA-N 2 1 266.429 2.142 20 0 CEADMP CCN(CC[NH2+]Cc1ccsc1)C(=O)C[N@@H+](C)C(C)C ZINC001268498981 804768614 /nfs/dbraw/zinc/76/86/14/804768614.db2.gz BWOOCSOYQPMKFJ-UHFFFAOYSA-N 2 1 297.468 2.026 20 0 CEADMP C[C@H](C[NH2+]CCCC1CCCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001268639684 804901215 /nfs/dbraw/zinc/90/12/15/804901215.db2.gz MEIVEXNHWXZPRZ-ZBFHGGJFSA-N 2 1 295.471 2.145 20 0 CEADMP C(C1CC1)[NH+]1CCC([NH+]2CCC3(CCO3)CC2)CC1 ZINC001168387237 807041281 /nfs/dbraw/zinc/04/12/81/807041281.db2.gz AEFFIAGJEFDCRI-UHFFFAOYSA-N 2 1 264.413 2.116 20 0 CEADMP COC(=O)CC[C@@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387746 807044938 /nfs/dbraw/zinc/04/49/38/807044938.db2.gz SBWBPFTXHICHGN-OAHLLOKOSA-N 2 1 294.439 2.136 20 0 CEADMP CC/C=C/CC[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001269249752 805102054 /nfs/dbraw/zinc/10/20/54/805102054.db2.gz UBHXLJKAFUXHKW-APHBUQMISA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001269249752 805102056 /nfs/dbraw/zinc/10/20/56/805102056.db2.gz UBHXLJKAFUXHKW-APHBUQMISA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001269249752 805102058 /nfs/dbraw/zinc/10/20/58/805102058.db2.gz UBHXLJKAFUXHKW-APHBUQMISA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@@H]1C ZINC001269675406 805227607 /nfs/dbraw/zinc/22/76/07/805227607.db2.gz AAAYDYWUITXGCL-DOTOQJQBSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721780083 805411171 /nfs/dbraw/zinc/41/11/71/805411171.db2.gz XCSWBXBRDNQTGL-XUXIUFHCSA-N 2 1 254.418 2.310 20 0 CEADMP CCC[C@H](C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C)OC ZINC001119239862 815078731 /nfs/dbraw/zinc/07/87/31/815078731.db2.gz OGWUYDBUXUUFTP-TZMCWYRMSA-N 2 1 253.390 2.232 20 0 CEADMP F[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167966634 805484530 /nfs/dbraw/zinc/48/45/30/805484530.db2.gz XZWLVQJHTYQKRZ-AXOHJZAGSA-N 2 1 252.377 2.482 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)CC1 ZINC000894536203 805504252 /nfs/dbraw/zinc/50/42/52/805504252.db2.gz UHABNKUBHIEAGY-CABCVRRESA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H]1CO ZINC001167984737 805536986 /nfs/dbraw/zinc/53/69/86/805536986.db2.gz QJWLWVNVBHWKER-SCBLWJDOSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H]1CO ZINC001167984737 805536989 /nfs/dbraw/zinc/53/69/89/805536989.db2.gz QJWLWVNVBHWKER-SCBLWJDOSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H]1CO ZINC001167984737 805536991 /nfs/dbraw/zinc/53/69/91/805536991.db2.gz QJWLWVNVBHWKER-SCBLWJDOSA-N 2 1 292.467 2.485 20 0 CEADMP CC1(C)C[N@H+](C2CC[NH+](CC3CC3)CC2)CCCO1 ZINC001168391648 807059553 /nfs/dbraw/zinc/05/95/53/807059553.db2.gz MHHSFUMEBWDMJY-UHFFFAOYSA-N 2 1 266.429 2.362 20 0 CEADMP [NH3+]CCc1c[nH+]cn1[C@H]1CCc2cc(F)ccc2C1 ZINC001168399169 807080913 /nfs/dbraw/zinc/08/09/13/807080913.db2.gz YERNGQUHQXRHRT-AWEZNQCLSA-N 2 1 259.328 2.253 20 0 CEADMP CCCCCC[NH+]1CCN(Cc2cnc(C)[nH]2)CC1 ZINC001232462357 807260658 /nfs/dbraw/zinc/26/06/58/807260658.db2.gz NSABAIOBCIUDPB-UHFFFAOYSA-N 2 1 264.417 2.416 20 0 CEADMP FC(F)(F)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000088419520 807378406 /nfs/dbraw/zinc/37/84/06/807378406.db2.gz IEZKQCHGGBRTKY-UHFFFAOYSA-N 2 1 250.308 2.403 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC)CC[N@H+]1C ZINC001089180391 807404166 /nfs/dbraw/zinc/40/41/66/807404166.db2.gz QJMSUEREHHGLRD-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[N@H+](C)CC)CC[NH+]1C ZINC001089180391 807404169 /nfs/dbraw/zinc/40/41/69/807404169.db2.gz QJMSUEREHHGLRD-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[N@@H+](C)CC)CC[NH+]1C ZINC001089180391 807404172 /nfs/dbraw/zinc/40/41/72/807404172.db2.gz QJMSUEREHHGLRD-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[C@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001272433800 807484190 /nfs/dbraw/zinc/48/41/90/807484190.db2.gz YJZAYHFTPRXYBC-ARFHVFGLSA-N 2 1 295.471 2.050 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])C(C)C ZINC000721970957 807555188 /nfs/dbraw/zinc/55/51/88/807555188.db2.gz DEOHWQNBEGMISV-ILXRZTDVSA-N 2 1 256.434 2.354 20 0 CEADMP CCC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234344695 807645861 /nfs/dbraw/zinc/64/58/61/807645861.db2.gz AOEUQTKXKRAYNE-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H]1SCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000699228032 807657079 /nfs/dbraw/zinc/65/70/79/807657079.db2.gz XRYHMNHVMWJOOS-PJIALRRASA-N 2 1 254.443 2.343 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000715200040 807663952 /nfs/dbraw/zinc/66/39/52/807663952.db2.gz HFODQNZDQOEUFT-UHFFFAOYSA-N 3 1 253.434 2.061 20 0 CEADMP CC[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)CO1 ZINC000699259968 807664322 /nfs/dbraw/zinc/66/43/22/807664322.db2.gz LNEFRDOTYQSQNW-VAQLIOGMSA-N 2 1 252.402 2.016 20 0 CEADMP CC[C@@H](C)c1nn(C)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205130471 807735275 /nfs/dbraw/zinc/73/52/75/807735275.db2.gz FEKSUMYJGZIVAM-TZMCWYRMSA-N 2 1 264.417 2.247 20 0 CEADMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235009305 807759558 /nfs/dbraw/zinc/75/95/58/807759558.db2.gz YZYSJYKDVWXKCJ-QGZVFWFLSA-N 2 1 274.408 2.197 20 0 CEADMP Cc1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235009305 807759562 /nfs/dbraw/zinc/75/95/62/807759562.db2.gz YZYSJYKDVWXKCJ-QGZVFWFLSA-N 2 1 274.408 2.197 20 0 CEADMP CC(C)=CCC[C@H](C)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235053841 807762191 /nfs/dbraw/zinc/76/21/91/807762191.db2.gz KXJGNNUTHKVHMZ-JKSUJKDBSA-N 2 1 265.445 2.006 20 0 CEADMP CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672132 807807128 /nfs/dbraw/zinc/80/71/28/807807128.db2.gz GDZLBVKPOASGLY-HUUCEWRRSA-N 2 1 297.487 2.058 20 0 CEADMP C[N@H+](Cc1ccc(N)c(F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216029 808018820 /nfs/dbraw/zinc/01/88/20/808018820.db2.gz JPOVBUBMESMZBV-ZIAGYGMSSA-N 2 1 251.349 2.110 20 0 CEADMP C[N@@H+](Cc1ccc(N)c(F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216029 808018825 /nfs/dbraw/zinc/01/88/25/808018825.db2.gz JPOVBUBMESMZBV-ZIAGYGMSSA-N 2 1 251.349 2.110 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@@H](C)CC(C)C)CC[N@H+]1C ZINC001127701073 808203252 /nfs/dbraw/zinc/20/32/52/808203252.db2.gz HKSFTONQTQLONZ-HRCADAONSA-N 2 1 297.487 2.105 20 0 CEADMP CCC[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CCCCC1 ZINC001120045671 815191683 /nfs/dbraw/zinc/19/16/83/815191683.db2.gz CXJFMZVNCLJOJW-UHFFFAOYSA-N 2 1 283.460 2.147 20 0 CEADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171548022 815193848 /nfs/dbraw/zinc/19/38/48/815193848.db2.gz ZZUGAKNTKVMDRB-CVEARBPZSA-N 2 1 297.487 2.391 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171596297 815202965 /nfs/dbraw/zinc/20/29/65/815202965.db2.gz MVGOHHBGCHILGN-AWEZNQCLSA-N 2 1 285.476 2.391 20 0 CEADMP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1(C)C ZINC001171613816 815203862 /nfs/dbraw/zinc/20/38/62/815203862.db2.gz QMWLKVIFIWNDPV-QWHCGFSZSA-N 3 1 267.461 2.497 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC)CC2 ZINC001107616256 808476427 /nfs/dbraw/zinc/47/64/27/808476427.db2.gz ZSVBUJIKDKTVLQ-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC)CC2 ZINC001107616256 808476433 /nfs/dbraw/zinc/47/64/33/808476433.db2.gz ZSVBUJIKDKTVLQ-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC)CC2 ZINC001107616256 808476438 /nfs/dbraw/zinc/47/64/38/808476438.db2.gz ZSVBUJIKDKTVLQ-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1ccc(CC[C@@H](C)n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1 ZINC001171659989 815209329 /nfs/dbraw/zinc/20/93/29/815209329.db2.gz HXOSIUWBSNKIOJ-GDBMZVCRSA-N 2 1 287.407 2.247 20 0 CEADMP Cc1cc(C[NH2+]CCC[NH+]2CCC2)c2c(n1)CCCC2 ZINC001120360100 815216507 /nfs/dbraw/zinc/21/65/07/815216507.db2.gz RKNYYZMUPQLAER-UHFFFAOYSA-N 2 1 273.424 2.454 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CC)C1 ZINC001120438505 815223367 /nfs/dbraw/zinc/22/33/67/815223367.db2.gz AVRIXOUODHGTDK-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC)C1 ZINC001120438505 815223371 /nfs/dbraw/zinc/22/33/71/815223371.db2.gz AVRIXOUODHGTDK-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC)C1 ZINC001120438505 815223377 /nfs/dbraw/zinc/22/33/77/815223377.db2.gz AVRIXOUODHGTDK-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]1C[C@H](N2C[C@@H]3C[C@H]2C[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC001171758905 815225639 /nfs/dbraw/zinc/22/56/39/815225639.db2.gz CMCRBHXYKFZTBB-DKIMLUQUSA-N 2 1 285.435 2.038 20 0 CEADMP C[C@H]1C[C@H](N2C[C@@H]3C[C@H]2C[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171758905 815225641 /nfs/dbraw/zinc/22/56/41/815225641.db2.gz CMCRBHXYKFZTBB-DKIMLUQUSA-N 2 1 285.435 2.038 20 0 CEADMP C[C@H]1C[C@H](N2C[C@@H]3C[C@H]2C[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171758905 815225643 /nfs/dbraw/zinc/22/56/43/815225643.db2.gz CMCRBHXYKFZTBB-DKIMLUQUSA-N 2 1 285.435 2.038 20 0 CEADMP Cc1[nH+]ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1F ZINC001168601193 808698133 /nfs/dbraw/zinc/69/81/33/808698133.db2.gz LZKJCSKRVVSIER-AAEUAGOBSA-N 2 1 251.349 2.236 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171790449 815236858 /nfs/dbraw/zinc/23/68/58/815236858.db2.gz LGSTXKROIXEHFW-PVXIVEMSSA-N 2 1 262.372 2.223 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171790449 815236862 /nfs/dbraw/zinc/23/68/62/815236862.db2.gz LGSTXKROIXEHFW-PVXIVEMSSA-N 2 1 262.372 2.223 20 0 CEADMP CC[C@@H](C)C[C@H](C)Nc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001168693929 808983626 /nfs/dbraw/zinc/98/36/26/808983626.db2.gz LDLYOGMNGWOKNO-OLZOCXBDSA-N 2 1 277.416 2.123 20 0 CEADMP CC[C@H](C)C[C@H](C)Nc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001168693932 808983792 /nfs/dbraw/zinc/98/37/92/808983792.db2.gz LDLYOGMNGWOKNO-STQMWFEESA-N 2 1 277.416 2.123 20 0 CEADMP CCOC(=O)C1(C)CCC([N@@H+](C)C[C@H](C)C[NH3+])CC1 ZINC001171944002 815257229 /nfs/dbraw/zinc/25/72/29/815257229.db2.gz JQWUGHRRRDLMDG-DNOWBOINSA-N 2 1 270.417 2.025 20 0 CEADMP C[NH+](C)CCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101670 815281040 /nfs/dbraw/zinc/28/10/40/815281040.db2.gz HLHBAODSXNQHGL-PHZGNYQRSA-N 3 1 267.461 2.323 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCCC[NH+](C)C)C2 ZINC001172101670 815281045 /nfs/dbraw/zinc/28/10/45/815281045.db2.gz HLHBAODSXNQHGL-PHZGNYQRSA-N 2 1 267.461 2.323 20 0 CEADMP CCOC(=O)CCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156373 815282163 /nfs/dbraw/zinc/28/21/63/815282163.db2.gz QIXDYULJOTXQHL-KBPBESRZSA-N 2 1 288.407 2.261 20 0 CEADMP CCOC(=O)CCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156373 815282169 /nfs/dbraw/zinc/28/21/69/815282169.db2.gz QIXDYULJOTXQHL-KBPBESRZSA-N 2 1 288.407 2.261 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC([NH+]3CCCCC3)C1)C2 ZINC001172127351 815287645 /nfs/dbraw/zinc/28/76/45/815287645.db2.gz IKZKZCOCMFRRHP-ZSHCYNCHSA-N 2 1 277.456 2.172 20 0 CEADMP C[N@@H+]1C[C@H]2[C@H](C1)CCCN2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172126918 815287005 /nfs/dbraw/zinc/28/70/05/815287005.db2.gz ZJBDEDGBNWJEKH-KSWRQPAISA-N 2 1 277.456 2.028 20 0 CEADMP C[NH+]1C[C@H]2[C@H](C1)CCCN2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172126918 815287011 /nfs/dbraw/zinc/28/70/11/815287011.db2.gz ZJBDEDGBNWJEKH-KSWRQPAISA-N 2 1 277.456 2.028 20 0 CEADMP C[NH+]1C[C@H]2[C@H](C1)CCCN2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172126918 815287015 /nfs/dbraw/zinc/28/70/15/815287015.db2.gz ZJBDEDGBNWJEKH-KSWRQPAISA-N 2 1 277.456 2.028 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](C)CC(C)C ZINC001128783504 809456861 /nfs/dbraw/zinc/45/68/61/809456861.db2.gz ICUGEWVZHJKZRB-CVEARBPZSA-N 2 1 297.487 2.249 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC1CCCCC1 ZINC001128783439 809456968 /nfs/dbraw/zinc/45/69/68/809456968.db2.gz HJEQZJQATRATRV-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@]12CN(C[C@@H]3CC[NH2+]C3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702050471 809490559 /nfs/dbraw/zinc/49/05/59/809490559.db2.gz ZLLJEOYIJCONPW-QRVBRYPASA-N 2 1 299.462 2.050 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1cn3ccccc3n1)C2 ZINC001172104169 815294718 /nfs/dbraw/zinc/29/47/18/815294718.db2.gz AJZKEVMUZGKEBN-OSYLJGHBSA-N 2 1 298.434 2.482 20 0 CEADMP CCOC(CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)OCC ZINC001172105697 815295916 /nfs/dbraw/zinc/29/59/16/815295916.db2.gz JFEOJTVLIAUPNX-QKDCVEJESA-N 2 1 284.444 2.381 20 0 CEADMP COc1cncc(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172105508 815296039 /nfs/dbraw/zinc/29/60/39/815296039.db2.gz IOTDFQCAKWOVMU-MUJYYYPQSA-N 2 1 289.423 2.238 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1ccc(O)cc1)C2 ZINC001172107904 815296209 /nfs/dbraw/zinc/29/62/09/815296209.db2.gz LLACQJMOPQAKRP-JYYAWHABSA-N 2 1 290.407 2.031 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@]1(C)CCCOC1)C2 ZINC001172109575 815298253 /nfs/dbraw/zinc/29/82/53/815298253.db2.gz DUFNAGFDUYCCJN-XQLPTFJDSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@]1(C)CCCOC1)C2 ZINC001172109575 815298256 /nfs/dbraw/zinc/29/82/56/815298256.db2.gz DUFNAGFDUYCCJN-XQLPTFJDSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc3ccccn3n1)C2 ZINC001172110850 815299533 /nfs/dbraw/zinc/29/95/33/815299533.db2.gz QAYRYBUHHZLJKV-RBVVOMGSSA-N 2 1 284.407 2.439 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc3ccccn3n1)C2 ZINC001172110850 815299537 /nfs/dbraw/zinc/29/95/37/815299537.db2.gz QAYRYBUHHZLJKV-RBVVOMGSSA-N 2 1 284.407 2.439 20 0 CEADMP C[C@@H]1CC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702650759 809574456 /nfs/dbraw/zinc/57/44/56/809574456.db2.gz BCUZWFZHYFRTEY-DJIMGWMZSA-N 2 1 274.408 2.012 20 0 CEADMP C[C@@H]1CC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702650759 809574460 /nfs/dbraw/zinc/57/44/60/809574460.db2.gz BCUZWFZHYFRTEY-DJIMGWMZSA-N 2 1 274.408 2.012 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172112035 815300163 /nfs/dbraw/zinc/30/01/63/815300163.db2.gz ZOANUUYWGXIFET-DGADGQDISA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172112035 815300170 /nfs/dbraw/zinc/30/01/70/815300170.db2.gz ZOANUUYWGXIFET-DGADGQDISA-N 2 1 294.439 2.323 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034370915 809589636 /nfs/dbraw/zinc/58/96/36/809589636.db2.gz OSCNQJLEPCHTRC-JYJNAYRXSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034370915 809589637 /nfs/dbraw/zinc/58/96/37/809589637.db2.gz OSCNQJLEPCHTRC-JYJNAYRXSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034370915 809589641 /nfs/dbraw/zinc/58/96/41/809589641.db2.gz OSCNQJLEPCHTRC-JYJNAYRXSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034397780 809599401 /nfs/dbraw/zinc/59/94/01/809599401.db2.gz LLBJNQFIQOTWHX-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001034397780 809599405 /nfs/dbraw/zinc/59/94/05/809599405.db2.gz LLBJNQFIQOTWHX-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034397780 809599407 /nfs/dbraw/zinc/59/94/07/809599407.db2.gz LLBJNQFIQOTWHX-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034400931 809600036 /nfs/dbraw/zinc/60/00/36/809600036.db2.gz YSPZURZUBZWNIT-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001034400931 809600039 /nfs/dbraw/zinc/60/00/39/809600039.db2.gz YSPZURZUBZWNIT-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034400931 809600042 /nfs/dbraw/zinc/60/00/42/809600042.db2.gz YSPZURZUBZWNIT-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034476324 809612989 /nfs/dbraw/zinc/61/29/89/809612989.db2.gz ZPSMCQNXXXHHBV-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3cccnc3C1)C2 ZINC001172113541 815303276 /nfs/dbraw/zinc/30/32/76/815303276.db2.gz KBQJGZMILWJTOT-QDMKHBRRSA-N 2 1 257.381 2.413 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3cccnc3C1)C2 ZINC001172113541 815303283 /nfs/dbraw/zinc/30/32/83/815303283.db2.gz KBQJGZMILWJTOT-QDMKHBRRSA-N 2 1 257.381 2.413 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1Cc3cccnc3C1)C2 ZINC001172113541 815303288 /nfs/dbraw/zinc/30/32/88/815303288.db2.gz KBQJGZMILWJTOT-QDMKHBRRSA-N 2 1 257.381 2.413 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1Cc3cccnc3C1)C2 ZINC001172113541 815303295 /nfs/dbraw/zinc/30/32/95/815303295.db2.gz KBQJGZMILWJTOT-QDMKHBRRSA-N 2 1 257.381 2.413 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034538538 809627720 /nfs/dbraw/zinc/62/77/20/809627720.db2.gz OVPYYLBQSPWVSP-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](C(C)C)C1 ZINC001034538538 809627728 /nfs/dbraw/zinc/62/77/28/809627728.db2.gz OVPYYLBQSPWVSP-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@](F)(CO)CC1)C2 ZINC001172116671 815305859 /nfs/dbraw/zinc/30/58/59/815305859.db2.gz BRFWLRMOEYIVFW-QKPAOTATSA-N 2 1 284.419 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@](F)(CO)CC1)C2 ZINC001172116671 815305866 /nfs/dbraw/zinc/30/58/66/815305866.db2.gz BRFWLRMOEYIVFW-QKPAOTATSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@](F)(CO)CC1)C2 ZINC001172116671 815305873 /nfs/dbraw/zinc/30/58/73/815305873.db2.gz BRFWLRMOEYIVFW-QKPAOTATSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@](F)(CO)CC1)C2 ZINC001172116671 815305880 /nfs/dbraw/zinc/30/58/80/815305880.db2.gz BRFWLRMOEYIVFW-QKPAOTATSA-N 2 1 284.419 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCN1CCC[C@@H](F)C1)C2 ZINC001172119294 815308919 /nfs/dbraw/zinc/30/89/19/815308919.db2.gz YMSVVRPCWHMBGB-FPCVCCKLSA-N 2 1 283.435 2.025 20 0 CEADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@]1(C)O ZINC001172120058 815309811 /nfs/dbraw/zinc/30/98/11/815309811.db2.gz JJZWIIPMLPTYAO-NRKLIOEPSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@]1(C)O ZINC001172120058 815309818 /nfs/dbraw/zinc/30/98/18/815309818.db2.gz JJZWIIPMLPTYAO-NRKLIOEPSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[C@]1(C)O ZINC001172120058 815309825 /nfs/dbraw/zinc/30/98/25/815309825.db2.gz JJZWIIPMLPTYAO-NRKLIOEPSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[C@]1(C)O ZINC001172120058 815309832 /nfs/dbraw/zinc/30/98/32/815309832.db2.gz JJZWIIPMLPTYAO-NRKLIOEPSA-N 2 1 280.456 2.485 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206157421 815312916 /nfs/dbraw/zinc/31/29/16/815312916.db2.gz YNDZGFCNJAPMKH-GJZGRUSLSA-N 2 1 266.360 2.347 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+]3CCCC[C@H]3C1)C2 ZINC001172122868 815313562 /nfs/dbraw/zinc/31/35/62/815313562.db2.gz UMFWIPLQDPTZJY-VVLHAWIVSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[N@@H+]3CCCC[C@H]3C1)C2 ZINC001172122868 815313568 /nfs/dbraw/zinc/31/35/68/815313568.db2.gz UMFWIPLQDPTZJY-VVLHAWIVSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[N@H+]3CCCC[C@H]3C1)C2 ZINC001172122868 815313573 /nfs/dbraw/zinc/31/35/73/815313573.db2.gz UMFWIPLQDPTZJY-VVLHAWIVSA-N 2 1 277.456 2.172 20 0 CEADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC001172123449 815314796 /nfs/dbraw/zinc/31/47/96/815314796.db2.gz GEBFLWVVUPYJQO-LXFSFDBISA-N 2 1 252.402 2.111 20 0 CEADMP C[C@@H](O)C[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705928827 809792904 /nfs/dbraw/zinc/79/29/04/809792904.db2.gz UWNDWERYLADUED-NJAFHUGGSA-N 2 1 288.435 2.211 20 0 CEADMP CC1(C)CO[C@H](C[NH+]2CCC([NH2+]CC3CC3)CC2)C1 ZINC000708338000 809926449 /nfs/dbraw/zinc/92/64/49/809926449.db2.gz AMENYWHOUUXDDR-HNNXBMFYSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@@H+](C[C@@H]1CC(C)(C)OC1(C)C)C1CC[NH2+]CC1 ZINC000709702078 809952847 /nfs/dbraw/zinc/95/28/47/809952847.db2.gz JSEREFTUSDBLFT-LBPRGKRZSA-N 2 1 254.418 2.264 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CC[C@H](c2nccs2)C1 ZINC000710354040 809987095 /nfs/dbraw/zinc/98/70/95/809987095.db2.gz CNUBAGGPKKJFRJ-LBPRGKRZSA-N 2 1 253.415 2.452 20 0 CEADMP C[C@H](NC(=O)C[N@@H+](C)CCCCCC[NH3+])c1cccs1 ZINC000710704691 809990381 /nfs/dbraw/zinc/99/03/81/809990381.db2.gz CXVTWOPFTMNIJP-ZDUSSCGKSA-N 2 1 297.468 2.376 20 0 CEADMP CN(C(=O)C[N@@H+](C)CCCCCC[NH3+])C1CCCCC1 ZINC000710696002 809990655 /nfs/dbraw/zinc/99/06/55/809990655.db2.gz VBBNAWUDRSUKCK-UHFFFAOYSA-N 2 1 283.460 2.228 20 0 CEADMP CC(C)n1cc(C[N@@H+](C)CCCCCC[NH3+])cn1 ZINC000710728691 809991927 /nfs/dbraw/zinc/99/19/27/809991927.db2.gz AZYYQBGWGIPKFV-UHFFFAOYSA-N 2 1 252.406 2.415 20 0 CEADMP COC1(OC)CC[C@H]1[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000710981659 810008869 /nfs/dbraw/zinc/00/88/69/810008869.db2.gz YEAQFLRWGOXUJT-OAHLLOKOSA-N 2 1 284.444 2.382 20 0 CEADMP COC1(OC)CC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000710981659 810008870 /nfs/dbraw/zinc/00/88/70/810008870.db2.gz YEAQFLRWGOXUJT-OAHLLOKOSA-N 2 1 284.444 2.382 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)CC[C@@H]1C[NH3+] ZINC000711229106 810049573 /nfs/dbraw/zinc/04/95/73/810049573.db2.gz WJGCSTVKBQFIQU-MCIONIFRSA-N 2 1 268.445 2.497 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)[C@H]1CCCC[NH2+]1 ZINC000711227961 810050469 /nfs/dbraw/zinc/05/04/69/810050469.db2.gz UDFHTIUPCGLTQT-MELADBBJSA-N 2 1 254.418 2.312 20 0 CEADMP FC[C@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000711415046 810069070 /nfs/dbraw/zinc/06/90/70/810069070.db2.gz JKWSIQOIOZVLBB-SNVBAGLBSA-N 2 1 254.374 2.185 20 0 CEADMP [NH3+]CCC[C@H]1CCCC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172235377 815339899 /nfs/dbraw/zinc/33/98/99/815339899.db2.gz ABLYIWKXVAMFLD-WZYMTQMTSA-N 2 1 264.413 2.313 20 0 CEADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)[C@@H](C)C1 ZINC001172226447 815341780 /nfs/dbraw/zinc/34/17/80/815341780.db2.gz ZYUJNEVPOWWAPJ-IXIBIKRGSA-N 2 1 266.429 2.405 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015291003 810276448 /nfs/dbraw/zinc/27/64/48/810276448.db2.gz OXWXJIGMABVTPJ-OAHLLOKOSA-N 2 1 298.390 2.105 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001015791496 810355609 /nfs/dbraw/zinc/35/56/09/810355609.db2.gz GHCVOTYIZPXLRX-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015791496 810355615 /nfs/dbraw/zinc/35/56/15/810355615.db2.gz GHCVOTYIZPXLRX-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015791496 810355620 /nfs/dbraw/zinc/35/56/20/810355620.db2.gz GHCVOTYIZPXLRX-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]C[C@H](C)CC)C1 ZINC001164449779 810371510 /nfs/dbraw/zinc/37/15/10/810371510.db2.gz RHSCPMLXOJKMTE-CVEARBPZSA-N 2 1 297.487 2.250 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001015932394 810372933 /nfs/dbraw/zinc/37/29/33/810372933.db2.gz VKXIWNCIRPRXEA-OAHLLOKOSA-N 2 1 298.390 2.086 20 0 CEADMP CCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015930768 810373344 /nfs/dbraw/zinc/37/33/44/810373344.db2.gz VEXHLGBVWQHMGY-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](COC)C1 ZINC001258907891 810696000 /nfs/dbraw/zinc/69/60/00/810696000.db2.gz NWNQJWGBFHAZHF-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001085332096 810725268 /nfs/dbraw/zinc/72/52/68/810725268.db2.gz KVIRDBRBIGYUTD-BZUAXINKSA-N 2 1 295.471 2.001 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](O)CC1 ZINC001258908627 810737680 /nfs/dbraw/zinc/73/76/80/810737680.db2.gz ZDGJRWSQEAOFHB-LSDHHAIUSA-N 2 1 256.434 2.344 20 0 CEADMP COC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000721887619 810852260 /nfs/dbraw/zinc/85/22/60/810852260.db2.gz AKKRTNSTMHEGSG-RRFJBIMHSA-N 2 1 254.418 2.121 20 0 CEADMP [NH3+][C@H]1CCC[C@@H](Nc2nc(N3CCCCC3)cc[nH+]2)C1 ZINC001154985596 810878657 /nfs/dbraw/zinc/87/86/57/810878657.db2.gz NQOWUHVZWFDAGL-QWHCGFSZSA-N 2 1 275.400 2.149 20 0 CEADMP COc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001204088487 815406182 /nfs/dbraw/zinc/40/61/82/815406182.db2.gz FWDIQRGIBXIUHX-QLFBSQMISA-N 2 1 260.381 2.125 20 0 CEADMP COc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001204088487 815406184 /nfs/dbraw/zinc/40/61/84/815406184.db2.gz FWDIQRGIBXIUHX-QLFBSQMISA-N 2 1 260.381 2.125 20 0 CEADMP CCOCC[C@@H](C)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001172428029 815418740 /nfs/dbraw/zinc/41/87/40/815418740.db2.gz WLHXLTKGJAMXCS-CYBMUJFWSA-N 2 1 254.418 2.360 20 0 CEADMP CCOCC[C@@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001172428029 815418744 /nfs/dbraw/zinc/41/87/44/815418744.db2.gz WLHXLTKGJAMXCS-CYBMUJFWSA-N 2 1 254.418 2.360 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1O ZINC001205991491 811208353 /nfs/dbraw/zinc/20/83/53/811208353.db2.gz BBAGALCUZUDFQL-TZMCWYRMSA-N 2 1 278.396 2.208 20 0 CEADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168809001 811252595 /nfs/dbraw/zinc/25/25/95/811252595.db2.gz SPZAWMJTEXEUAU-KGLIPLIRSA-N 2 1 299.459 2.444 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3nccnc23)CCC[C@H]1C[NH3+] ZINC001205995548 811290297 /nfs/dbraw/zinc/29/02/97/811290297.db2.gz PADXJOALRNGYFA-KBPBESRZSA-N 2 1 284.407 2.437 20 0 CEADMP Cn1c2ccccc2nc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169092810 811362845 /nfs/dbraw/zinc/36/28/45/811362845.db2.gz CRDVNHTZBJKUIC-QDMKHBRRSA-N 2 1 298.434 2.331 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Nc1ccc(CC[NH3+])cc1)C2 ZINC001169092912 811363772 /nfs/dbraw/zinc/36/37/72/811363772.db2.gz DUHBTBIYZBAXLV-MUJYYYPQSA-N 2 1 259.397 2.225 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1COc3ccccc3O1)C2 ZINC001169095714 811365496 /nfs/dbraw/zinc/36/54/96/811365496.db2.gz RWXCJDJGSMHFOK-XQLPTFJDSA-N 2 1 288.391 2.041 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1COc3ccccc3O1)C2 ZINC001169095714 811365502 /nfs/dbraw/zinc/36/55/02/811365502.db2.gz RWXCJDJGSMHFOK-XQLPTFJDSA-N 2 1 288.391 2.041 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N(C(N)=[NH2+])c1ccc(F)cc1)C2 ZINC001169099341 811368366 /nfs/dbraw/zinc/36/83/66/811368366.db2.gz QHOSMCFHNOXAHO-WDNDVIMCSA-N 2 1 276.359 2.151 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](CO)C1CCCCC1)C2 ZINC001169100084 811372105 /nfs/dbraw/zinc/37/21/05/811372105.db2.gz FXQULKGSOUHIKY-QKPAOTATSA-N 2 1 266.429 2.142 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccccc1O)C2 ZINC001169099686 811372188 /nfs/dbraw/zinc/37/21/88/811372188.db2.gz DUYVEBGUSLPMJQ-QDMKHBRRSA-N 2 1 260.381 2.150 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C13CCC(O)(CC1)CC3)C2 ZINC001169100696 811372233 /nfs/dbraw/zinc/37/22/33/811372233.db2.gz LIVZAEBOPGIXII-XKRIRGRTSA-N 2 1 264.413 2.039 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)C2 ZINC001169101922 811374211 /nfs/dbraw/zinc/37/42/11/811374211.db2.gz WILVJNBFTCGLGN-ZJPYXAASSA-N 2 1 288.435 2.052 20 0 CEADMP Cc1ccn2c(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)cnc2c1 ZINC001169079761 811375615 /nfs/dbraw/zinc/37/56/15/811375615.db2.gz LGUQRKHDXDUACI-QDMKHBRRSA-N 2 1 284.407 2.358 20 0 CEADMP Cc1ccn2c(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cnc2c1 ZINC001169079761 811375626 /nfs/dbraw/zinc/37/56/26/811375626.db2.gz LGUQRKHDXDUACI-QDMKHBRRSA-N 2 1 284.407 2.358 20 0 CEADMP C[N@@H+](CCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)Cc1ccccc1 ZINC001169091823 811384913 /nfs/dbraw/zinc/38/49/13/811384913.db2.gz VTEBJRSRLWXHEA-NNZMDNLPSA-N 2 1 287.451 2.333 20 0 CEADMP C[NH+](CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC001169091823 811384922 /nfs/dbraw/zinc/38/49/22/811384922.db2.gz VTEBJRSRLWXHEA-NNZMDNLPSA-N 2 1 287.451 2.333 20 0 CEADMP C[NH+](CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC001169091823 811384930 /nfs/dbraw/zinc/38/49/30/811384930.db2.gz VTEBJRSRLWXHEA-NNZMDNLPSA-N 2 1 287.451 2.333 20 0 CEADMP CN(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC001169091823 811384944 /nfs/dbraw/zinc/38/49/44/811384944.db2.gz VTEBJRSRLWXHEA-NNZMDNLPSA-N 2 1 287.451 2.333 20 0 CEADMP CN(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC001169091823 811384956 /nfs/dbraw/zinc/38/49/56/811384956.db2.gz VTEBJRSRLWXHEA-NNZMDNLPSA-N 2 1 287.451 2.333 20 0 CEADMP CC[N@@H+](C1CCOCC1)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169139938 811386105 /nfs/dbraw/zinc/38/61/05/811386105.db2.gz GHXVTNOUBGIZLC-QDMKHBRRSA-N 2 1 252.402 2.113 20 0 CEADMP CC[N@H+](C1CCOCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139938 811386111 /nfs/dbraw/zinc/38/61/11/811386111.db2.gz GHXVTNOUBGIZLC-QDMKHBRRSA-N 2 1 252.402 2.113 20 0 CEADMP CC[N@@H+](C1CCOCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169139938 811386121 /nfs/dbraw/zinc/38/61/21/811386121.db2.gz GHXVTNOUBGIZLC-QDMKHBRRSA-N 2 1 252.402 2.113 20 0 CEADMP CC[NH+](C1CCOCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139938 811386132 /nfs/dbraw/zinc/38/61/32/811386132.db2.gz GHXVTNOUBGIZLC-QDMKHBRRSA-N 2 1 252.402 2.113 20 0 CEADMP CC[NH+](C1CCOCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139938 811386143 /nfs/dbraw/zinc/38/61/43/811386143.db2.gz GHXVTNOUBGIZLC-QDMKHBRRSA-N 2 1 252.402 2.113 20 0 CEADMP CC(C)N([C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C[NH3+] ZINC001169122567 811389741 /nfs/dbraw/zinc/38/97/41/811389741.db2.gz AMFVNRKXOOBMEA-WDNDVIMCSA-N 2 1 253.434 2.059 20 0 CEADMP CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001043602223 811389950 /nfs/dbraw/zinc/38/99/50/811389950.db2.gz FQRZASCOXAZCRC-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(O)(C(F)(F)F)CC1)C2 ZINC001169126748 811396835 /nfs/dbraw/zinc/39/68/35/811396835.db2.gz XFQUFXBYEXHSEE-ZSBIGDGJSA-N 2 1 292.345 2.001 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(O)(C(F)(F)F)CC1)C2 ZINC001169126748 811396839 /nfs/dbraw/zinc/39/68/39/811396839.db2.gz XFQUFXBYEXHSEE-ZSBIGDGJSA-N 2 1 292.345 2.001 20 0 CEADMP C[N@H+](Cc1cccc(O)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126354 811396903 /nfs/dbraw/zinc/39/69/03/811396903.db2.gz SGVNFBPZYNTUMY-QDMKHBRRSA-N 2 1 260.381 2.449 20 0 CEADMP C[N@@H+](Cc1cccc(O)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126354 811396914 /nfs/dbraw/zinc/39/69/14/811396914.db2.gz SGVNFBPZYNTUMY-QDMKHBRRSA-N 2 1 260.381 2.449 20 0 CEADMP C[NH+](Cc1cccc(O)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126354 811396917 /nfs/dbraw/zinc/39/69/17/811396917.db2.gz SGVNFBPZYNTUMY-QDMKHBRRSA-N 2 1 260.381 2.449 20 0 CEADMP C[NH+](Cc1cccc(O)c1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126354 811396927 /nfs/dbraw/zinc/39/69/27/811396927.db2.gz SGVNFBPZYNTUMY-QDMKHBRRSA-N 2 1 260.381 2.449 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CC(C)(C)N(O)C1(C)C)C2 ZINC001169108938 811402729 /nfs/dbraw/zinc/40/27/29/811402729.db2.gz WQVKOFKUYORMNZ-YIYPIFLZSA-N 2 1 281.444 2.222 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)C2 ZINC001169114833 811405803 /nfs/dbraw/zinc/40/58/03/811405803.db2.gz ZBPAIHIVVOOIPJ-XGWQRUHWSA-N 3 1 291.483 2.466 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)C2 ZINC001169114833 811405809 /nfs/dbraw/zinc/40/58/09/811405809.db2.gz ZBPAIHIVVOOIPJ-XGWQRUHWSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](c3ccncc3)C1)C2 ZINC001169142377 811409547 /nfs/dbraw/zinc/40/95/47/811409547.db2.gz UBILWPZXUATOFX-MWDXBVQZSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](c3ccncc3)C1)C2 ZINC001169142377 811409551 /nfs/dbraw/zinc/40/95/51/811409551.db2.gz UBILWPZXUATOFX-MWDXBVQZSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](c3ccncc3)C1)C2 ZINC001169142377 811409558 /nfs/dbraw/zinc/40/95/58/811409558.db2.gz UBILWPZXUATOFX-MWDXBVQZSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH2+]CCc1c(C)nn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC001169148452 811412172 /nfs/dbraw/zinc/41/21/72/811412172.db2.gz ZGTQVAGUJBQFCC-QDMKHBRRSA-N 2 1 276.428 2.060 20 0 CEADMP CC(C)O[C@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169156430 811417548 /nfs/dbraw/zinc/41/75/48/811417548.db2.gz YEPHCIVBXDRJIS-YJNKXOJESA-N 2 1 252.402 2.111 20 0 CEADMP CC(C)O[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169156430 811417552 /nfs/dbraw/zinc/41/75/52/811417552.db2.gz YEPHCIVBXDRJIS-YJNKXOJESA-N 2 1 252.402 2.111 20 0 CEADMP CC(C)O[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169156430 811417557 /nfs/dbraw/zinc/41/75/57/811417557.db2.gz YEPHCIVBXDRJIS-YJNKXOJESA-N 2 1 252.402 2.111 20 0 CEADMP CC[NH+]1CCC([NH2+]CCOc2ccc(F)cc2)CC1 ZINC001169221385 811435776 /nfs/dbraw/zinc/43/57/76/811435776.db2.gz AYHGWRNKRUOGEA-UHFFFAOYSA-N 2 1 266.360 2.278 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001169224229 811437621 /nfs/dbraw/zinc/43/76/21/811437621.db2.gz FFNUTYKSWVASRU-UHFFFAOYSA-N 2 1 283.460 2.471 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](C(C)C)C1 ZINC001044170666 811449765 /nfs/dbraw/zinc/44/97/65/811449765.db2.gz SROIANBQLSUVAE-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](C(C)C)C1 ZINC001044170666 811449769 /nfs/dbraw/zinc/44/97/69/811449769.db2.gz SROIANBQLSUVAE-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@H+](C1CCN(C(C)=O)CC1)C1CC[NH+](CC)CC1 ZINC001169264558 811453019 /nfs/dbraw/zinc/45/30/19/811453019.db2.gz HZRYRRYBJURAKW-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@@H+](C1CCN(C(C)=O)CC1)C1CC[NH+](CC)CC1 ZINC001169264558 811453020 /nfs/dbraw/zinc/45/30/20/811453020.db2.gz HZRYRRYBJURAKW-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CCCOc1cccnc1C(=[NH2+])NC1CC[NH+](CC)CC1 ZINC001169240024 811456698 /nfs/dbraw/zinc/45/66/98/811456698.db2.gz BINWBHSQYZATPA-UHFFFAOYSA-N 2 1 290.411 2.270 20 0 CEADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001169238522 811456784 /nfs/dbraw/zinc/45/67/84/811456784.db2.gz ITWNOOFBPPCPTQ-KRWDZBQOSA-N 2 1 279.472 2.325 20 0 CEADMP CCN1CCC([NH2+]C[C@H](C)CC(C)(C)CC[NH3+])CC1 ZINC001169239202 811457419 /nfs/dbraw/zinc/45/74/19/811457419.db2.gz QUSFQDAWJYCDPO-CQSZACIVSA-N 2 1 269.477 2.462 20 0 CEADMP CCCNc1cc[nH+]c(NC(C)(C)CC[NH+](C)C)n1 ZINC001169712046 811639238 /nfs/dbraw/zinc/63/92/38/811639238.db2.gz VOAMWENLVZZKJQ-UHFFFAOYSA-N 2 1 265.405 2.441 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001172591569 815465980 /nfs/dbraw/zinc/46/59/80/815465980.db2.gz KAEQLMLOIGEHHW-RRFJBIMHSA-N 2 1 282.428 2.040 20 0 CEADMP CC[C@@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CC)C2)C1)[NH+](C)C ZINC001045964987 811670810 /nfs/dbraw/zinc/67/08/10/811670810.db2.gz BASOUUDRVRIRMY-RDJZCZTQSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC3(C2)OCCO3)[C@H](C)C1 ZINC001169934730 811716424 /nfs/dbraw/zinc/71/64/24/811716424.db2.gz FIKCCKXQWFRRHY-OAGGEKHMSA-N 2 1 296.455 2.381 20 0 CEADMP CCCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172584803 815476829 /nfs/dbraw/zinc/47/68/29/815476829.db2.gz ARDRORQIVCBDAL-GJZGRUSLSA-N 2 1 284.444 2.430 20 0 CEADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172584803 815476833 /nfs/dbraw/zinc/47/68/33/815476833.db2.gz ARDRORQIVCBDAL-GJZGRUSLSA-N 2 1 284.444 2.430 20 0 CEADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CCCC(C)C ZINC001170061503 812019716 /nfs/dbraw/zinc/01/97/16/812019716.db2.gz SGUMFHUCPLAMOH-UONOGXRCSA-N 2 1 272.433 2.461 20 0 CEADMP CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571942 812169786 /nfs/dbraw/zinc/16/97/86/812169786.db2.gz IHANVLHMPHSJOV-HZPDHXFCSA-N 2 1 298.390 2.033 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+]CCOc2ccc(F)cc2)CC1 ZINC001254500614 812414418 /nfs/dbraw/zinc/41/44/18/812414418.db2.gz WNZUWDPJDZNIGJ-AWEZNQCLSA-N 2 1 266.360 2.278 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+]CC[C@H](O)c2ccccc2)CC1 ZINC001254505024 812419440 /nfs/dbraw/zinc/41/94/40/812419440.db2.gz YAXYQSBEYNNOPB-HOTGVXAUSA-N 2 1 262.397 2.184 20 0 CEADMP Cc1cc2c(cn1)[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)CC2 ZINC001254511268 812424419 /nfs/dbraw/zinc/42/44/19/812424419.db2.gz YBRPOLUNWGOSLQ-GOEBONIOSA-N 2 1 259.397 2.451 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254528592 812443350 /nfs/dbraw/zinc/44/33/50/812443350.db2.gz HMTSZSMJYUJXEN-ZBFHGGJFSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254528592 812443354 /nfs/dbraw/zinc/44/33/54/812443354.db2.gz HMTSZSMJYUJXEN-ZBFHGGJFSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254528592 812443357 /nfs/dbraw/zinc/44/33/57/812443357.db2.gz HMTSZSMJYUJXEN-ZBFHGGJFSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001206575229 812493230 /nfs/dbraw/zinc/49/32/30/812493230.db2.gz VHOUNNZMLQHMAP-KRWDZBQOSA-N 3 1 273.424 2.241 20 0 CEADMP C[C@@]1(C[NH3+])CCCCN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001206575229 812493235 /nfs/dbraw/zinc/49/32/35/812493235.db2.gz VHOUNNZMLQHMAP-KRWDZBQOSA-N 2 1 273.424 2.241 20 0 CEADMP CC(C)CC[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622443 812591512 /nfs/dbraw/zinc/59/15/12/812591512.db2.gz IUNDDHFYLSGYTQ-UHFFFAOYSA-N 2 1 297.487 2.391 20 0 CEADMP CO[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001172922757 815546732 /nfs/dbraw/zinc/54/67/32/815546732.db2.gz HKLGBOKQAFPFSR-RMEBNNNOSA-N 2 1 252.402 2.159 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132105398 812787874 /nfs/dbraw/zinc/78/78/74/812787874.db2.gz GRRRCFAALNQRKG-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CC2)C1 ZINC001132153299 812791477 /nfs/dbraw/zinc/79/14/77/812791477.db2.gz PWTYHDNSJWKJNK-UKRRQHHQSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CC2)C1 ZINC001132153299 812791481 /nfs/dbraw/zinc/79/14/81/812791481.db2.gz PWTYHDNSJWKJNK-UKRRQHHQSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CC2)C1 ZINC001132153299 812791485 /nfs/dbraw/zinc/79/14/85/812791485.db2.gz PWTYHDNSJWKJNK-UKRRQHHQSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001050256585 812799515 /nfs/dbraw/zinc/79/95/15/812799515.db2.gz AAVKSLHGVPTSOL-XJKSGUPXSA-N 2 1 289.423 2.068 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132517453 812870657 /nfs/dbraw/zinc/87/06/57/812870657.db2.gz CIVUCXOJJYFWEO-LSDHHAIUSA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132517453 812870666 /nfs/dbraw/zinc/87/06/66/812870666.db2.gz CIVUCXOJJYFWEO-LSDHHAIUSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132517352 812870722 /nfs/dbraw/zinc/87/07/22/812870722.db2.gz BFEZCGQNQIKBPL-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCC2)C1 ZINC001132517352 812870730 /nfs/dbraw/zinc/87/07/30/812870730.db2.gz BFEZCGQNQIKBPL-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP CO[C@H]1CCC[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC001172946845 815557527 /nfs/dbraw/zinc/55/75/27/815557527.db2.gz VUMZHXKXZJGUJR-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3nccc(Cl)c23)CC[C@@H]1F ZINC001206184691 815564031 /nfs/dbraw/zinc/56/40/31/815564031.db2.gz JQDVISHONLFTDT-RYUDHWBXSA-N 2 1 296.777 2.478 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3nccc(Cl)c23)CC[C@@H]1F ZINC001206184691 815564036 /nfs/dbraw/zinc/56/40/36/815564036.db2.gz JQDVISHONLFTDT-RYUDHWBXSA-N 2 1 296.777 2.478 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172957342 815564858 /nfs/dbraw/zinc/56/48/58/815564858.db2.gz HNTVAUXZOGCPII-STQMWFEESA-N 2 1 287.448 2.159 20 0 CEADMP [NH3+][C@@H]1CCC[N@H+](C2CCC3(CCOCC3)CC2)C1 ZINC001173040877 815568343 /nfs/dbraw/zinc/56/83/43/815568343.db2.gz MPLWOBHTQMSHGX-CYBMUJFWSA-N 2 1 252.402 2.149 20 0 CEADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515817 813001589 /nfs/dbraw/zinc/00/15/89/813001589.db2.gz JVCURPOFIPQYIG-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515817 813001596 /nfs/dbraw/zinc/00/15/96/813001596.db2.gz JVCURPOFIPQYIG-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515817 813001605 /nfs/dbraw/zinc/00/16/05/813001605.db2.gz JVCURPOFIPQYIG-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001133263553 813020037 /nfs/dbraw/zinc/02/00/37/813020037.db2.gz XNGYDZKYLOXNLG-CVEARBPZSA-N 2 1 297.487 2.203 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(C)C)C1 ZINC001133253270 813021383 /nfs/dbraw/zinc/02/13/83/813021383.db2.gz FBDNLBYFUIMRFL-JKSUJKDBSA-N 2 1 297.487 2.058 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]C(C)(C)C[NH3+])CN1C(=O)OC(C)(C)C ZINC001173054789 815571302 /nfs/dbraw/zinc/57/13/02/815571302.db2.gz OZRFUYVIDUJBCM-NWDGAFQWSA-N 2 1 285.432 2.101 20 0 CEADMP Cc1cc(C#N)ccc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000383344074 813097908 /nfs/dbraw/zinc/09/79/08/813097908.db2.gz XKIVYERFRQYSTO-SJORKVTESA-N 2 1 269.392 2.250 20 0 CEADMP Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000383344074 813097917 /nfs/dbraw/zinc/09/79/17/813097917.db2.gz XKIVYERFRQYSTO-SJORKVTESA-N 2 1 269.392 2.250 20 0 CEADMP Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000383344074 813097927 /nfs/dbraw/zinc/09/79/27/813097927.db2.gz XKIVYERFRQYSTO-SJORKVTESA-N 2 1 269.392 2.250 20 0 CEADMP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001086711917 813156185 /nfs/dbraw/zinc/15/61/85/813156185.db2.gz HATXLKJKVCJREV-ARFHVFGLSA-N 2 1 295.471 2.145 20 0 CEADMP CC[NH+]1CCC([NH2+]C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000387330892 813207049 /nfs/dbraw/zinc/20/70/49/813207049.db2.gz FBJQOMMKUHTQAF-HNNXBMFYSA-N 2 1 284.350 2.072 20 0 CEADMP c1ccc2ncc(CNC[C@H]3C[N@H+]4CCC[C@H]4CO3)cc2c1 ZINC000387900433 813224557 /nfs/dbraw/zinc/22/45/57/813224557.db2.gz QAABMXNRZXJETR-IRXDYDNUSA-N 2 1 297.402 2.188 20 0 CEADMP c1ccc2ncc(C[NH2+]C[C@H]3CN4CCC[C@H]4CO3)cc2c1 ZINC000387900433 813224560 /nfs/dbraw/zinc/22/45/60/813224560.db2.gz QAABMXNRZXJETR-IRXDYDNUSA-N 2 1 297.402 2.188 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCOC1 ZINC000388873225 813244443 /nfs/dbraw/zinc/24/44/43/813244443.db2.gz LLPBBIFRRAIOAF-WQGXVZNYSA-N 2 1 252.402 2.016 20 0 CEADMP Cc1c(C[NH2+]CC2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000392812363 813306733 /nfs/dbraw/zinc/30/67/33/813306733.db2.gz MUWKOKRNPWMOBK-UHFFFAOYSA-N 2 1 275.352 2.255 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071735620 813473594 /nfs/dbraw/zinc/47/35/94/813473594.db2.gz PBIUUIHBVWHXOU-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071870983 813503138 /nfs/dbraw/zinc/50/31/38/813503138.db2.gz FIFJYHUVMRQUGF-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071930078 813514772 /nfs/dbraw/zinc/51/47/72/813514772.db2.gz BNLFHXVYLRAHER-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000395714124 813536994 /nfs/dbraw/zinc/53/69/94/813536994.db2.gz IDEIGIRUIQFBAA-MRXNPFEDSA-N 2 1 298.377 2.461 20 0 CEADMP CC[C@]([NH3+])(CO)Nc1cc[nH+]c2ccc(C(F)(F)F)cc12 ZINC001170863964 813563148 /nfs/dbraw/zinc/56/31/48/813563148.db2.gz PYVIEHRXOCPVMG-CYBMUJFWSA-N 2 1 299.296 2.145 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(C)C ZINC001135980632 813578131 /nfs/dbraw/zinc/57/81/31/813578131.db2.gz QWPOOXCOKZRROV-HUUCEWRRSA-N 2 1 285.476 2.247 20 0 CEADMP C[C@@]1(C[NH3+])CCCC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC001246022129 813663540 /nfs/dbraw/zinc/66/35/40/813663540.db2.gz OWPOLDOXZGESKC-HOTGVXAUSA-N 2 1 262.397 2.171 20 0 CEADMP C[NH+]1CCC([NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC000399210714 813703718 /nfs/dbraw/zinc/70/37/18/813703718.db2.gz PPXXZZCINJSVED-VIFPVBQESA-N 2 1 251.201 2.254 20 0 CEADMP CC[C@@H]1CC([NH2+]C[C@@H]2C[NH2+]C[C@H](C)C2)C[C@@H](CC)[NH2+]1 ZINC001246102586 813694536 /nfs/dbraw/zinc/69/45/36/813694536.db2.gz RPQAPRWNJWVXSI-LXTVHRRPSA-N 3 1 267.461 2.131 20 0 CEADMP Clc1cccc2c1C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC001246186885 813725159 /nfs/dbraw/zinc/72/51/59/813725159.db2.gz IKFPKRXYFVJITI-VXGBXAGGSA-N 2 1 250.773 2.149 20 0 CEADMP COC[C@H](C)[N@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001255561381 813740758 /nfs/dbraw/zinc/74/07/58/813740758.db2.gz BBZLUVJHDUUSGX-KGLIPLIRSA-N 2 1 250.386 2.118 20 0 CEADMP CC[NH2+]CC[NH2+][C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001246273649 813757038 /nfs/dbraw/zinc/75/70/38/813757038.db2.gz QTJMTICBIHSDMK-NSHDSACASA-N 2 1 282.815 2.405 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001246273646 813757132 /nfs/dbraw/zinc/75/71/32/813757132.db2.gz QTJMTICBIHSDMK-LLVKDONJSA-N 2 1 282.815 2.405 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001074064685 813801336 /nfs/dbraw/zinc/80/13/36/813801336.db2.gz IHMPNCFOXQRMBJ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001074064685 813801346 /nfs/dbraw/zinc/80/13/46/813801346.db2.gz IHMPNCFOXQRMBJ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001074064685 813801357 /nfs/dbraw/zinc/80/13/57/813801357.db2.gz IHMPNCFOXQRMBJ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(C)(C)C1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246560814 814046661 /nfs/dbraw/zinc/04/66/61/814046661.db2.gz UDDKDRBCHUHIDJ-NEXFUWMNSA-N 2 1 268.445 2.375 20 0 CEADMP CCC[NH+]1CCC([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246567530 814062913 /nfs/dbraw/zinc/06/29/13/814062913.db2.gz LLWYHDVWDBWPQQ-HUUCEWRRSA-N 3 1 267.461 2.168 20 0 CEADMP CCCN1CCC([N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246567530 814062917 /nfs/dbraw/zinc/06/29/17/814062917.db2.gz LLWYHDVWDBWPQQ-HUUCEWRRSA-N 2 1 267.461 2.168 20 0 CEADMP CCCN1CCC([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246567530 814062925 /nfs/dbraw/zinc/06/29/25/814062925.db2.gz LLWYHDVWDBWPQQ-HUUCEWRRSA-N 2 1 267.461 2.168 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](C(=O)OC)CC1 ZINC001255968951 814064978 /nfs/dbraw/zinc/06/49/78/814064978.db2.gz OOXCCPRAJVVQHJ-LSDHHAIUSA-N 2 1 284.444 2.382 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnc(N(C)C)c2)[C@H](C)C1 ZINC000754063845 814113400 /nfs/dbraw/zinc/11/34/00/814113400.db2.gz CPTWUZTZJIMCTP-GDBMZVCRSA-N 2 1 290.455 2.310 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnc(N(C)C)c2)[C@H](C)C1 ZINC000754063845 814113407 /nfs/dbraw/zinc/11/34/07/814113407.db2.gz CPTWUZTZJIMCTP-GDBMZVCRSA-N 2 1 290.455 2.310 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnc(N(C)C)c2)[C@H](C)C1 ZINC000754063845 814113414 /nfs/dbraw/zinc/11/34/14/814113414.db2.gz CPTWUZTZJIMCTP-GDBMZVCRSA-N 2 1 290.455 2.310 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnc(N(C)C)c2)[C@H](C)C1 ZINC000754063845 814113422 /nfs/dbraw/zinc/11/34/22/814113422.db2.gz CPTWUZTZJIMCTP-GDBMZVCRSA-N 2 1 290.455 2.310 20 0 CEADMP c1[nH+]c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c2ccccn12 ZINC001144623455 814132495 /nfs/dbraw/zinc/13/24/95/814132495.db2.gz WRGPRAWVLMBQAD-OAHLLOKOSA-N 2 1 284.407 2.395 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246587231 814172872 /nfs/dbraw/zinc/17/28/72/814172872.db2.gz WDFKBIMRQTUYOX-GVDBMIGSSA-N 3 1 279.472 2.360 20 0 CEADMP C[C@]1(CN)CCCC[N@@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246587231 814172878 /nfs/dbraw/zinc/17/28/78/814172878.db2.gz WDFKBIMRQTUYOX-GVDBMIGSSA-N 2 1 279.472 2.360 20 0 CEADMP C[C@]1(CN)CCCC[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246587231 814172882 /nfs/dbraw/zinc/17/28/82/814172882.db2.gz WDFKBIMRQTUYOX-GVDBMIGSSA-N 2 1 279.472 2.360 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246587230 814173736 /nfs/dbraw/zinc/17/37/36/814173736.db2.gz WDFKBIMRQTUYOX-BRWVUGGUSA-N 3 1 279.472 2.360 20 0 CEADMP C[C@]1(CN)CCCC[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246587230 814173738 /nfs/dbraw/zinc/17/37/38/814173738.db2.gz WDFKBIMRQTUYOX-BRWVUGGUSA-N 2 1 279.472 2.360 20 0 CEADMP C[C@]1(CN)CCCC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246587230 814173741 /nfs/dbraw/zinc/17/37/41/814173741.db2.gz WDFKBIMRQTUYOX-BRWVUGGUSA-N 2 1 279.472 2.360 20 0 CEADMP C[NH+]1CCC([NH2+]CC(C)(C)Cc2cccnc2)CC1 ZINC001256201912 814182417 /nfs/dbraw/zinc/18/24/17/814182417.db2.gz SUMQPQPIFKOICJ-UHFFFAOYSA-N 2 1 261.413 2.334 20 0 CEADMP C[C@@H]1CC[N@@H+]([C@@H]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246593458 814189410 /nfs/dbraw/zinc/18/94/10/814189410.db2.gz HUUBNGBVSRXXBQ-TZMCWYRMSA-N 2 1 262.372 2.367 20 0 CEADMP C[C@@H]1CC[N@H+]([C@@H]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246593458 814189415 /nfs/dbraw/zinc/18/94/15/814189415.db2.gz HUUBNGBVSRXXBQ-TZMCWYRMSA-N 2 1 262.372 2.367 20 0 CEADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)C[N@H+](C)CCC)C1 ZINC001100901641 814202142 /nfs/dbraw/zinc/20/21/42/814202142.db2.gz GKXILJWUGGYAHY-SREVYHEPSA-N 2 1 295.471 2.169 20 0 CEADMP CC(C)[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001091267436 814202779 /nfs/dbraw/zinc/20/27/79/814202779.db2.gz KXPYCPFMZZMZKQ-UYSNPLJNSA-N 2 1 295.471 2.142 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246608206 814205959 /nfs/dbraw/zinc/20/59/59/814205959.db2.gz ILHCXQSNDHHGLA-HOCLYGCPSA-N 2 1 282.428 2.326 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC)C1 ZINC001091318604 814208945 /nfs/dbraw/zinc/20/89/45/814208945.db2.gz FFIQGACTILBGCS-UYSNPLJNSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[C@H](C)CC[C@@H](C)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246622485 814221571 /nfs/dbraw/zinc/22/15/71/814221571.db2.gz HMKQYEHOJKSEQX-XHSDSOJGSA-N 2 1 267.461 2.229 20 0 CEADMP CC[C@@H](C)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600360 814399243 /nfs/dbraw/zinc/39/92/43/814399243.db2.gz BDRPDWJBULTIHY-BZUAXINKSA-N 2 1 297.487 2.057 20 0 CEADMP CC[C@@H](C)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102600360 814399249 /nfs/dbraw/zinc/39/92/49/814399249.db2.gz BDRPDWJBULTIHY-BZUAXINKSA-N 2 1 297.487 2.057 20 0 CEADMP CC(C)O[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697027817 814645153 /nfs/dbraw/zinc/64/51/53/814645153.db2.gz IOJWGUHBQFJBOI-LSDHHAIUSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171352735 814654552 /nfs/dbraw/zinc/65/45/52/814654552.db2.gz AITRBFASKRXKBN-MFKMUULPSA-N 2 1 268.351 2.349 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCc3cnn(C)c3C2)CC1 ZINC001173113389 815584047 /nfs/dbraw/zinc/58/40/47/815584047.db2.gz OZZBYWLCCGMKFJ-UHFFFAOYSA-N 2 1 290.455 2.431 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](N(C)C(C)=O)C2)CC1 ZINC001173113980 815584097 /nfs/dbraw/zinc/58/40/97/815584097.db2.gz QSKHWXRIJRIHED-JCYILVPMSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712416941 814744748 /nfs/dbraw/zinc/74/47/48/814744748.db2.gz PGHAPVYXDWCNBJ-BFHYXJOUSA-N 2 1 252.402 2.147 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712454449 814748375 /nfs/dbraw/zinc/74/83/75/814748375.db2.gz WQGSDEVNBTZQKP-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCC4(CCC4)O3)C[C@@H]21 ZINC000712462554 814748471 /nfs/dbraw/zinc/74/84/71/814748471.db2.gz IVVHJYBMKANGJG-APIJFGDWSA-N 2 1 264.413 2.147 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)O2)C[C@H]1C[NH3+] ZINC000712452127 814748619 /nfs/dbraw/zinc/74/86/19/814748619.db2.gz MFDKYSTZHQPYBJ-MGPQQGTHSA-N 2 1 252.402 2.005 20 0 CEADMP C([C@@H]1CCC2(CCC2)O1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000712485328 814749442 /nfs/dbraw/zinc/74/94/42/814749442.db2.gz MWDPLWAUYAPGEN-ILXRZTDVSA-N 2 1 264.413 2.162 20 0 CEADMP CC[NH2+]C1(CNC(=O)C[N@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115731187 814751899 /nfs/dbraw/zinc/75/18/99/814751899.db2.gz ZJKJCXDFSSTQSG-UHFFFAOYSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H]1CCC3(CCC3)O1)C2 ZINC000712508792 814752600 /nfs/dbraw/zinc/75/26/00/814752600.db2.gz HEKINYFGGNWCCF-KFWWJZLASA-N 2 1 264.413 2.020 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1CCC3(CCC3)O1)C2 ZINC000712508792 814752605 /nfs/dbraw/zinc/75/26/05/814752605.db2.gz HEKINYFGGNWCCF-KFWWJZLASA-N 2 1 264.413 2.020 20 0 CEADMP COc1cccc(C[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000713227252 814848095 /nfs/dbraw/zinc/84/80/95/814848095.db2.gz ITTSSZBGPGGJNS-UHFFFAOYSA-N 2 1 260.381 2.413 20 0 CEADMP COc1cccc(C[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000713227252 814848101 /nfs/dbraw/zinc/84/81/01/814848101.db2.gz ITTSSZBGPGGJNS-UHFFFAOYSA-N 2 1 260.381 2.413 20 0 CEADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)OC1 ZINC000713569245 814865045 /nfs/dbraw/zinc/86/50/45/814865045.db2.gz ZLRRMGHIXLLCAA-QLFBSQMISA-N 2 1 266.429 2.408 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714499614 814909930 /nfs/dbraw/zinc/90/99/30/814909930.db2.gz POEFKCQTXHZSBS-UHFFFAOYSA-N 3 1 278.444 2.050 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC000714750343 814914426 /nfs/dbraw/zinc/91/44/26/814914426.db2.gz SRKPBDQMUOHQGA-UHFFFAOYSA-N 2 1 276.380 2.177 20 0 CEADMP COc1cccc2c1C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)CO2 ZINC001173149875 815607328 /nfs/dbraw/zinc/60/73/28/815607328.db2.gz XPWOYHRVUXIYMJ-ZIAGYGMSSA-N 2 1 290.407 2.073 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001173169476 815621094 /nfs/dbraw/zinc/62/10/94/815621094.db2.gz IGOGSDAGOYSAJF-ILXRZTDVSA-N 2 1 254.418 2.408 20 0 CEADMP CC[N@H+]1CC[C@H](NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001173349626 815685832 /nfs/dbraw/zinc/68/58/32/815685832.db2.gz JFXJTARWNWVRHS-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001173349626 815685836 /nfs/dbraw/zinc/68/58/36/815685836.db2.gz JFXJTARWNWVRHS-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001173349626 815685840 /nfs/dbraw/zinc/68/58/40/815685840.db2.gz JFXJTARWNWVRHS-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@H](n2cc(CC[NH3+])c3cc(O)ccc32)C1 ZINC001173352659 815688045 /nfs/dbraw/zinc/68/80/45/815688045.db2.gz TWUIEMLNSXEJFZ-ZDUSSCGKSA-N 2 1 273.380 2.115 20 0 CEADMP CC[N@H+]1CC[C@H](N2CCCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001173359829 815701544 /nfs/dbraw/zinc/70/15/44/815701544.db2.gz AXTQOCNFQFIXCC-CVEARBPZSA-N 2 1 265.445 2.031 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3cnc(Cl)cc23)CC[C@H]1F ZINC001206197930 815703395 /nfs/dbraw/zinc/70/33/95/815703395.db2.gz KLFCYJILQQLBFK-VXGBXAGGSA-N 2 1 296.777 2.478 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)CC[C@H]1F ZINC001206197930 815703397 /nfs/dbraw/zinc/70/33/97/815703397.db2.gz KLFCYJILQQLBFK-VXGBXAGGSA-N 2 1 296.777 2.478 20 0 CEADMP COC(=O)CCCC[C@@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001173440909 815718737 /nfs/dbraw/zinc/71/87/37/815718737.db2.gz KDMLNHLKKPKAGR-IYXRBSQSSA-N 2 1 270.417 2.310 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](CCC[NH3+])C(C)C)C1 ZINC001173622449 815765873 /nfs/dbraw/zinc/76/58/73/815765873.db2.gz KZBNQSPEONEIHB-UONOGXRCSA-N 2 1 270.417 2.168 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001173623296 815766793 /nfs/dbraw/zinc/76/67/93/815766793.db2.gz RHEWCFFNISBDSN-DGXTUMSLSA-N 2 1 294.439 2.323 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC001173630197 815771010 /nfs/dbraw/zinc/77/10/10/815771010.db2.gz PIWZCFRTEQKRNT-PPWQZUPISA-N 2 1 282.428 2.310 20 0 CEADMP C[N@@H+](C1CCC([NH3+])CC1)C1CCN(CC(F)(F)F)CC1 ZINC001173661949 815780322 /nfs/dbraw/zinc/78/03/22/815780322.db2.gz BNWSPFMCGKUMIE-UHFFFAOYSA-N 2 1 293.377 2.215 20 0 CEADMP COc1cccc(F)c1C[N@@H+]1CCc2nccn2CC1 ZINC001138384963 815784971 /nfs/dbraw/zinc/78/49/71/815784971.db2.gz BIHPWKLOMBEJMX-UHFFFAOYSA-N 2 1 275.327 2.089 20 0 CEADMP COc1cccc(F)c1CN1CCc2nccn2CC1 ZINC001138384963 815784976 /nfs/dbraw/zinc/78/49/76/815784976.db2.gz BIHPWKLOMBEJMX-UHFFFAOYSA-N 2 1 275.327 2.089 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC001173646499 815790214 /nfs/dbraw/zinc/79/02/14/815790214.db2.gz DLXRJFDVXWVJKX-CVEARBPZSA-N 2 1 296.455 2.382 20 0 CEADMP COC(=O)c1ccc(C[C@@H](C)[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001173726853 815818599 /nfs/dbraw/zinc/81/85/99/815818599.db2.gz YREGGYIIEPLKNI-CQSZACIVSA-N 2 1 292.423 2.288 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC001138545105 815822015 /nfs/dbraw/zinc/82/20/15/815822015.db2.gz RNMRITXLFXOOMC-IYBDPMFKSA-N 2 1 283.375 2.259 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC001138545105 815822020 /nfs/dbraw/zinc/82/20/20/815822020.db2.gz RNMRITXLFXOOMC-IYBDPMFKSA-N 2 1 283.375 2.259 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CC3(C2)CCOC3)cc1 ZINC001138543775 815822780 /nfs/dbraw/zinc/82/27/80/815822780.db2.gz UOHFZSJSEKRDHP-UHFFFAOYSA-N 2 1 283.375 2.403 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001138547789 815825920 /nfs/dbraw/zinc/82/59/20/815825920.db2.gz VJBHDBKLDLVCKQ-GOSISDBHSA-N 2 1 296.418 2.461 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001138547789 815825927 /nfs/dbraw/zinc/82/59/27/815825927.db2.gz VJBHDBKLDLVCKQ-GOSISDBHSA-N 2 1 296.418 2.461 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(CN2CC([NH+]3CCCC3)C2)cc1 ZINC001138547567 815826230 /nfs/dbraw/zinc/82/62/30/815826230.db2.gz PTBZSLMSFHQBGA-UHFFFAOYSA-N 2 1 296.418 2.461 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4CCO[C@H]4C3)cc2)cn1 ZINC001139356331 816011094 /nfs/dbraw/zinc/01/10/94/816011094.db2.gz KCSYZFCQYSLYCV-WBVHZDCISA-N 2 1 283.375 2.483 20 0 CEADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175263014 816164548 /nfs/dbraw/zinc/16/45/48/816164548.db2.gz NCNLARWQUJELGF-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175271408 816166265 /nfs/dbraw/zinc/16/62/65/816166265.db2.gz BDDJSECOQYKYTN-HNNXBMFYSA-N 2 1 297.487 2.393 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175703661 816274732 /nfs/dbraw/zinc/27/47/32/816274732.db2.gz IQZBKKIVHSUGSA-CQSZACIVSA-N 2 1 294.443 2.256 20 0 CEADMP C[NH+](C)C1CCN(Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140799993 816359504 /nfs/dbraw/zinc/35/95/04/816359504.db2.gz RLLWRKLIKOZKSC-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001140802995 816360966 /nfs/dbraw/zinc/36/09/66/816360966.db2.gz IRCUKGAMEFQRDP-AWEZNQCLSA-N 2 1 270.380 2.233 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC001140802995 816360974 /nfs/dbraw/zinc/36/09/74/816360974.db2.gz IRCUKGAMEFQRDP-AWEZNQCLSA-N 2 1 270.380 2.233 20 0 CEADMP C[N@H+](Cc1c[nH]nc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC001141014903 816444354 /nfs/dbraw/zinc/44/43/54/816444354.db2.gz GVEAOLXENSOPCF-UHFFFAOYSA-N 2 1 290.333 2.202 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC001176798181 816470728 /nfs/dbraw/zinc/47/07/28/816470728.db2.gz MGZJSFLXLCUUIN-QLFBSQMISA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC001176798181 816470736 /nfs/dbraw/zinc/47/07/36/816470736.db2.gz MGZJSFLXLCUUIN-QLFBSQMISA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC001176798181 816470742 /nfs/dbraw/zinc/47/07/42/816470742.db2.gz MGZJSFLXLCUUIN-QLFBSQMISA-N 2 1 268.445 2.198 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccnn2C)C1 ZINC001177298879 816540362 /nfs/dbraw/zinc/54/03/62/816540362.db2.gz HJYBUGXJIWOBTB-CQSZACIVSA-N 2 1 264.417 2.022 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)ccn2)CC1 ZINC001206317774 816690824 /nfs/dbraw/zinc/69/08/24/816690824.db2.gz IKRMGIIEZJELPI-CQSZACIVSA-N 2 1 251.349 2.172 20 0 CEADMP CCCn1cnc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206318630 816698451 /nfs/dbraw/zinc/69/84/51/816698451.db2.gz SDBVJQAJYRGVLE-HNNXBMFYSA-N 2 1 264.417 2.244 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc4nc[nH]c43)C[C@@H]2C1 ZINC001142695925 816714636 /nfs/dbraw/zinc/71/46/36/816714636.db2.gz DNIAHZOXYAMNHM-GJZGRUSLSA-N 2 1 284.407 2.337 20 0 CEADMP C[N@H+](Cc1ccnc2[nH]ccc21)CC1CC[NH+](C)CC1 ZINC001142881217 816747274 /nfs/dbraw/zinc/74/72/74/816747274.db2.gz PSWJVNQLRQAXAF-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178523358 816758140 /nfs/dbraw/zinc/75/81/40/816758140.db2.gz WVEPZXZENATGGH-HZPDHXFCSA-N 2 1 297.487 2.393 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2cc3cccnc3[nH]2)CC1 ZINC001143220568 816813749 /nfs/dbraw/zinc/81/37/49/816813749.db2.gz OGOCYEUSLPGTHA-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2cc3cccnc3[nH]2)CC1 ZINC001143220568 816813751 /nfs/dbraw/zinc/81/37/51/816813751.db2.gz OGOCYEUSLPGTHA-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCCCC[NH2+]CC)C1 ZINC001179358093 816852978 /nfs/dbraw/zinc/85/29/78/816852978.db2.gz VAVXDRKOSBGIPU-MRXNPFEDSA-N 2 1 297.487 2.395 20 0 CEADMP Cc1nc(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cs1 ZINC000124326056 187132364 /nfs/dbraw/zinc/13/23/64/187132364.db2.gz ROJOSXMCMVKSBL-CYBMUJFWSA-N 2 1 267.442 2.268 20 0 CEADMP Cc1nc(CC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cs1 ZINC000124326056 187132365 /nfs/dbraw/zinc/13/23/65/187132365.db2.gz ROJOSXMCMVKSBL-CYBMUJFWSA-N 2 1 267.442 2.268 20 0 CEADMP Cc1nc(CC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cs1 ZINC000124326056 187132366 /nfs/dbraw/zinc/13/23/66/187132366.db2.gz ROJOSXMCMVKSBL-CYBMUJFWSA-N 2 1 267.442 2.268 20 0 CEADMP Cc1nc(CC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cs1 ZINC000124326056 187132367 /nfs/dbraw/zinc/13/23/67/187132367.db2.gz ROJOSXMCMVKSBL-CYBMUJFWSA-N 2 1 267.442 2.268 20 0 CEADMP CCOC(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OCC ZINC000124437440 187137072 /nfs/dbraw/zinc/13/70/72/187137072.db2.gz WCVYCKHAUJPBEA-HNNXBMFYSA-N 2 1 284.444 2.193 20 0 CEADMP CCOC(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OCC ZINC000124437440 187137073 /nfs/dbraw/zinc/13/70/73/187137073.db2.gz WCVYCKHAUJPBEA-HNNXBMFYSA-N 2 1 284.444 2.193 20 0 CEADMP CC1=CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000337480699 214108970 /nfs/dbraw/zinc/10/89/70/214108970.db2.gz VOFJHXZAFYVJHP-UHFFFAOYSA-N 2 1 265.445 2.055 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000449101661 282100449 /nfs/dbraw/zinc/10/04/49/282100449.db2.gz VBTNNAVOQFXRML-RBSFLKMASA-N 2 1 297.487 2.247 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000449121447 282107764 /nfs/dbraw/zinc/10/77/64/282107764.db2.gz HRFFVVDQCSQBFZ-KBPBESRZSA-N 2 1 295.471 2.144 20 0 CEADMP COCC1CCC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000449137172 282115189 /nfs/dbraw/zinc/11/51/89/282115189.db2.gz XEVWHGGORCDULS-URGYJCLVSA-N 2 1 254.418 2.121 20 0 CEADMP COCC1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000449137172 282115192 /nfs/dbraw/zinc/11/51/92/282115192.db2.gz XEVWHGGORCDULS-URGYJCLVSA-N 2 1 254.418 2.121 20 0 CEADMP c1cc(C[NH2+]CCC[NH+]2CCC2)n(CCc2ccccc2)n1 ZINC000621343646 349568823 /nfs/dbraw/zinc/56/88/23/349568823.db2.gz MCBHOJMBZQTWQP-UHFFFAOYSA-N 2 1 298.434 2.311 20 0 CEADMP C[N@H+](Cc1ccc2ccccc2n1)C1CC[NH2+]CC1 ZINC000036301465 361839551 /nfs/dbraw/zinc/83/95/51/361839551.db2.gz OYVPCIQCVSJBNP-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP C[N@@H+](Cc1ccc2ccccc2n1)C1CC[NH2+]CC1 ZINC000036301465 361839555 /nfs/dbraw/zinc/83/95/55/361839555.db2.gz OYVPCIQCVSJBNP-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036864728 361865892 /nfs/dbraw/zinc/86/58/92/361865892.db2.gz ZYOSZEWUDAHGSD-UHFFFAOYSA-N 2 1 264.417 2.425 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000125480006 187187062 /nfs/dbraw/zinc/18/70/62/187187062.db2.gz PKQQKHMFAJTCJZ-AWEZNQCLSA-N 2 1 284.407 2.460 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000125480006 187187063 /nfs/dbraw/zinc/18/70/63/187187063.db2.gz PKQQKHMFAJTCJZ-AWEZNQCLSA-N 2 1 284.407 2.460 20 0 CEADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000037901343 361961571 /nfs/dbraw/zinc/96/15/71/361961571.db2.gz MIQJJYYIVHGGMG-DZGCQCFKSA-N 2 1 283.460 2.131 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000040591960 361996132 /nfs/dbraw/zinc/99/61/32/361996132.db2.gz KFZYZGCGAWOIFT-OAHLLOKOSA-N 2 1 275.396 2.076 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C1Cc2ccccc2C1 ZINC000338012999 214360087 /nfs/dbraw/zinc/36/00/87/214360087.db2.gz CNVJWQCWOCVKJF-UHFFFAOYSA-N 2 1 255.365 2.339 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621642248 349650110 /nfs/dbraw/zinc/65/01/10/349650110.db2.gz IYHDVYWEKCPSJQ-HZPDHXFCSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@@H](C)O1 ZINC000449298016 282177218 /nfs/dbraw/zinc/17/72/18/282177218.db2.gz ILLJJDZAGAPPPJ-WMUDQEJXSA-N 2 1 252.402 2.159 20 0 CEADMP CCc1cc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)ncn1 ZINC000674937152 539175072 /nfs/dbraw/zinc/17/50/72/539175072.db2.gz ULSISNKNRVDEKT-ZDUSSCGKSA-N 2 1 262.401 2.429 20 0 CEADMP c1cc(C[N@@H+]2CC[C@H](N3CCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000123971046 539179765 /nfs/dbraw/zinc/17/97/65/539179765.db2.gz PQKBNXFPNPZBNY-KRWDZBQOSA-N 2 1 285.435 2.002 20 0 CEADMP c1cc(C[N@H+]2CC[C@H](N3CCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000123971046 539179766 /nfs/dbraw/zinc/17/97/66/539179766.db2.gz PQKBNXFPNPZBNY-KRWDZBQOSA-N 2 1 285.435 2.002 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000070327191 539173565 /nfs/dbraw/zinc/17/35/65/539173565.db2.gz UBYXITKADORWKI-GBJTYRQASA-N 2 1 252.402 2.160 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000070327191 539173567 /nfs/dbraw/zinc/17/35/67/539173567.db2.gz UBYXITKADORWKI-GBJTYRQASA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H](c1cccnc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000071711632 539180698 /nfs/dbraw/zinc/18/06/98/539180698.db2.gz YYNSCNZQQIUXKE-CQSZACIVSA-N 2 1 268.364 2.360 20 0 CEADMP C[C@@H](c1ccccn1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000071711681 539180810 /nfs/dbraw/zinc/18/08/10/539180810.db2.gz AARRUIRFQHAQGE-AWEZNQCLSA-N 2 1 268.364 2.360 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000261595805 539185453 /nfs/dbraw/zinc/18/54/53/539185453.db2.gz OJAHOOPITYZBKN-GJZGRUSLSA-N 2 1 260.381 2.045 20 0 CEADMP CCC[NH2+][C@@H](C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000449317467 282185831 /nfs/dbraw/zinc/18/58/31/282185831.db2.gz CMBSOBXUTWQUJN-AWEZNQCLSA-N 2 1 283.460 2.145 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cncc(Cl)c3)C[C@@H]21 ZINC000621775433 349698704 /nfs/dbraw/zinc/69/87/04/349698704.db2.gz OYOQCMFKJKXYTC-KWCYVHTRSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cncc(Cl)c3)C[C@@H]21 ZINC000621775433 349698706 /nfs/dbraw/zinc/69/87/06/349698706.db2.gz OYOQCMFKJKXYTC-KWCYVHTRSA-N 2 1 265.788 2.294 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccn1 ZINC000621776456 349699669 /nfs/dbraw/zinc/69/96/69/349699669.db2.gz LJSCOGVWKJZFOE-HZPDHXFCSA-N 2 1 259.397 2.354 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2cnn(C)c2)[C@H](C)C1 ZINC000079461935 539220704 /nfs/dbraw/zinc/22/07/04/539220704.db2.gz GKJKQUNCWRPLFF-GDBMZVCRSA-N 2 1 278.444 2.015 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2cnn(C)c2)[C@H](C)C1 ZINC000079461935 539220706 /nfs/dbraw/zinc/22/07/06/539220706.db2.gz GKJKQUNCWRPLFF-GDBMZVCRSA-N 2 1 278.444 2.015 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2cnn(C)c2)[C@H](C)C1 ZINC000079461935 539220708 /nfs/dbraw/zinc/22/07/08/539220708.db2.gz GKJKQUNCWRPLFF-GDBMZVCRSA-N 2 1 278.444 2.015 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000668595815 539207136 /nfs/dbraw/zinc/20/71/36/539207136.db2.gz ANTVQXXKACMTOM-RDJZCZTQSA-N 2 1 298.390 2.044 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449339980 282192942 /nfs/dbraw/zinc/19/29/42/282192942.db2.gz ZWKTYPURLFYHME-OAGGEKHMSA-N 2 1 295.471 2.131 20 0 CEADMP CCc1nn(C)cc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000092371822 539231376 /nfs/dbraw/zinc/23/13/76/539231376.db2.gz PUFBHGHXKHOSHY-CQSZACIVSA-N 2 1 278.444 2.194 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000567747874 299085314 /nfs/dbraw/zinc/08/53/14/299085314.db2.gz CARYIYSRLDMKGY-QZTJIDSGSA-N 2 1 290.451 2.271 20 0 CEADMP CC(C)C(C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)C(C)C ZINC000668740240 539255852 /nfs/dbraw/zinc/25/58/52/539255852.db2.gz SBXZFVCVJPREET-MRXNPFEDSA-N 2 1 282.472 2.446 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000336825166 282204926 /nfs/dbraw/zinc/20/49/26/282204926.db2.gz XJIRKSQGTWURNW-CVEARBPZSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000336825166 282204928 /nfs/dbraw/zinc/20/49/28/282204928.db2.gz XJIRKSQGTWURNW-CVEARBPZSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000336625630 365737254 /nfs/dbraw/zinc/73/72/54/365737254.db2.gz FFBFIPVSFJLTDU-XHDPSFHLSA-N 2 1 278.444 2.424 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000336625630 365737259 /nfs/dbraw/zinc/73/72/59/365737259.db2.gz FFBFIPVSFJLTDU-XHDPSFHLSA-N 2 1 278.444 2.424 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+]CC2(C)CCC2)CC1 ZINC000434765009 539299215 /nfs/dbraw/zinc/29/92/15/539299215.db2.gz JYANJXPRPSEMCU-UHFFFAOYSA-N 2 1 267.461 2.040 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000567811783 299094003 /nfs/dbraw/zinc/09/40/03/299094003.db2.gz JRQJDDGLFCQJEU-HEHGZKQESA-N 2 1 289.423 2.261 20 0 CEADMP Cc1ncsc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000336689213 365760158 /nfs/dbraw/zinc/76/01/58/365760158.db2.gz BOBHXKBGWMKIJC-UHFFFAOYSA-N 2 1 264.398 2.479 20 0 CEADMP Cc1ncsc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000336689213 365760168 /nfs/dbraw/zinc/76/01/68/365760168.db2.gz BOBHXKBGWMKIJC-UHFFFAOYSA-N 2 1 264.398 2.479 20 0 CEADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000127594061 365754831 /nfs/dbraw/zinc/75/48/31/365754831.db2.gz QDWODHQGPRBSIV-HNNXBMFYSA-N 2 1 290.455 2.370 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000126868327 187266974 /nfs/dbraw/zinc/26/69/74/187266974.db2.gz CDCSQYKDBMZGGO-SWLSCSKDSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H](Cc1ccsc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128244923 365780320 /nfs/dbraw/zinc/78/03/20/365780320.db2.gz RLKCLMQHIMRLLP-OAHLLOKOSA-N 2 1 295.496 2.296 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC000449560386 282283351 /nfs/dbraw/zinc/28/33/51/282283351.db2.gz KHUPTHOESMMKDP-PYAPTSPMSA-N 2 1 294.439 2.179 20 0 CEADMP CCCC[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560696 282283746 /nfs/dbraw/zinc/28/37/46/282283746.db2.gz OOINBSGYLRZBNP-AVOUXACISA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H](CCc1ccco1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128370802 365785547 /nfs/dbraw/zinc/78/55/47/365785547.db2.gz BZLHNLWPNJCUMH-INIZCTEOSA-N 2 1 293.455 2.218 20 0 CEADMP CC[C@@]1(C)COCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000336727953 365788979 /nfs/dbraw/zinc/78/89/79/365788979.db2.gz MSXRCVMTOXIWEO-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP CC[C@@]1(C)COCC[N@H+]1CCCn1cc[nH+]c1C ZINC000336727953 365788987 /nfs/dbraw/zinc/78/89/87/365788987.db2.gz MSXRCVMTOXIWEO-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000449606308 282302003 /nfs/dbraw/zinc/30/20/03/282302003.db2.gz YIWFIMKSYICNGI-KBPBESRZSA-N 2 1 291.439 2.384 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000228858118 539361367 /nfs/dbraw/zinc/36/13/67/539361367.db2.gz FKIQYYOMFRRMSG-HOTGVXAUSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000228858118 539361370 /nfs/dbraw/zinc/36/13/70/539361370.db2.gz FKIQYYOMFRRMSG-HOTGVXAUSA-N 2 1 259.397 2.354 20 0 CEADMP CC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000075713665 343863866 /nfs/dbraw/zinc/86/38/66/343863866.db2.gz JJRUKWWYQRBJST-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCn2nc(C)cc2C)C1 ZINC000076004949 343875690 /nfs/dbraw/zinc/87/56/90/343875690.db2.gz QJAPJILJZGMARH-INIZCTEOSA-N 2 1 278.444 2.164 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCn2nc(C)cc2C)C1 ZINC000076004949 343875694 /nfs/dbraw/zinc/87/56/94/343875694.db2.gz QJAPJILJZGMARH-INIZCTEOSA-N 2 1 278.444 2.164 20 0 CEADMP COC(C)(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000336783917 365799814 /nfs/dbraw/zinc/79/98/14/365799814.db2.gz JGEJKTKMQHIIRK-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP COC(C)(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000336783917 365799824 /nfs/dbraw/zinc/79/98/24/365799824.db2.gz JGEJKTKMQHIIRK-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP COC(C)(C)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000336783917 365799807 /nfs/dbraw/zinc/79/98/07/365799807.db2.gz JGEJKTKMQHIIRK-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000049553868 362371152 /nfs/dbraw/zinc/37/11/52/362371152.db2.gz JKUIJZZQIOBMSB-HNNXBMFYSA-N 2 1 286.423 2.361 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(F)ccc2F)CC1 ZINC000105476488 344256827 /nfs/dbraw/zinc/25/68/27/344256827.db2.gz AVLWMRXXNJCUFL-UHFFFAOYSA-N 2 1 297.393 2.082 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000155396060 344438113 /nfs/dbraw/zinc/43/81/13/344438113.db2.gz SSIZNSQPESALJB-FQEVSTJZSA-N 2 1 294.464 2.386 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@H](C)C1 ZINC000449716566 282340093 /nfs/dbraw/zinc/34/00/93/282340093.db2.gz CXRYAYAWOLXTKT-OLZOCXBDSA-N 2 1 256.434 2.103 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](N)c3ccccc32)CC1 ZINC000157429402 344446542 /nfs/dbraw/zinc/44/65/42/344446542.db2.gz LMEFQXJEJSWZIP-DLBZAZTESA-N 2 1 273.424 2.453 20 0 CEADMP CC1CCC(O)(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000169030566 344481024 /nfs/dbraw/zinc/48/10/24/344481024.db2.gz ZLVWNKCMDVKCPV-PWUWZPNHSA-N 2 1 266.429 2.144 20 0 CEADMP CC1CCC(O)(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000169030566 344481027 /nfs/dbraw/zinc/48/10/27/344481027.db2.gz ZLVWNKCMDVKCPV-PWUWZPNHSA-N 2 1 266.429 2.144 20 0 CEADMP CCC[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000050193384 362409466 /nfs/dbraw/zinc/40/94/66/362409466.db2.gz NULZNDPKGBNVKA-HNNXBMFYSA-N 2 1 254.418 2.098 20 0 CEADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000234749241 344587214 /nfs/dbraw/zinc/58/72/14/344587214.db2.gz VGTLDGRNFCMQJG-HOCLYGCPSA-N 2 1 262.397 2.306 20 0 CEADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000234749241 344587216 /nfs/dbraw/zinc/58/72/16/344587216.db2.gz VGTLDGRNFCMQJG-HOCLYGCPSA-N 2 1 262.397 2.306 20 0 CEADMP Cc1ccc(C)c(OCCC[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050248064 362412634 /nfs/dbraw/zinc/41/26/34/362412634.db2.gz FTNRCJZMFIDYEW-OAHLLOKOSA-N 2 1 262.397 2.353 20 0 CEADMP CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H](C)OC ZINC000668183765 539436380 /nfs/dbraw/zinc/43/63/80/539436380.db2.gz OOPFZLZLQRNQLH-ZDUSSCGKSA-N 2 1 274.368 2.124 20 0 CEADMP CC[N@H+]1CCCN(Cc2cn3cccc(C)c3n2)CC1 ZINC000591470102 345259763 /nfs/dbraw/zinc/25/97/63/345259763.db2.gz BSFWXHVTAQFBBZ-UHFFFAOYSA-N 2 1 272.396 2.170 20 0 CEADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000591577226 345265136 /nfs/dbraw/zinc/26/51/36/345265136.db2.gz CZIHDNBVSWTYSM-DZGCQCFKSA-N 2 1 282.428 2.230 20 0 CEADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)c2nccc(N)n2)CC1 ZINC000568168488 299118998 /nfs/dbraw/zinc/11/89/98/299118998.db2.gz JITJLJKDZMAJFB-CYBMUJFWSA-N 2 1 291.443 2.002 20 0 CEADMP CC[C@H](CSC)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000591758238 345277498 /nfs/dbraw/zinc/27/74/98/345277498.db2.gz JDYHBDUHSYXBBR-HZPDHXFCSA-N 2 1 296.480 2.211 20 0 CEADMP CC[C@H](CSC)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000591758238 345277502 /nfs/dbraw/zinc/27/75/02/345277502.db2.gz JDYHBDUHSYXBBR-HZPDHXFCSA-N 2 1 296.480 2.211 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2nccc(N)n2)CC1 ZINC000568168488 299119002 /nfs/dbraw/zinc/11/90/02/299119002.db2.gz JITJLJKDZMAJFB-CYBMUJFWSA-N 2 1 291.443 2.002 20 0 CEADMP C[C@H](C[NH2+]Cc1cccc2c1OCCO2)C[NH+]1CCCC1 ZINC000058062688 362608064 /nfs/dbraw/zinc/60/80/64/362608064.db2.gz MPMVSPZJWGCUEZ-CQSZACIVSA-N 2 1 290.407 2.279 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1nccc2ccccc21 ZINC000623086377 349933637 /nfs/dbraw/zinc/93/36/37/349933637.db2.gz MXGFGEPXEPUBAL-UHFFFAOYSA-N 2 1 266.348 2.301 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCc1c[nH+]cn1C ZINC000623086345 349933843 /nfs/dbraw/zinc/93/38/43/349933843.db2.gz LLBAELVOIDTIFY-UHFFFAOYSA-N 2 1 289.427 2.321 20 0 CEADMP C[C@H](C[NH2+]Cc1cccc2c1OCO2)C[NH+]1CCCC1 ZINC000057994531 362605175 /nfs/dbraw/zinc/60/51/75/362605175.db2.gz RBHFGTPIXMDNOA-CYBMUJFWSA-N 2 1 276.380 2.237 20 0 CEADMP C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000595068159 345738677 /nfs/dbraw/zinc/73/86/77/345738677.db2.gz JIGVOKJCLLTQFS-QINHECLXSA-N 2 1 298.496 2.140 20 0 CEADMP C[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000595068160 345738978 /nfs/dbraw/zinc/73/89/78/345738978.db2.gz JIGVOKJCLLTQFS-YRNRMSPPSA-N 2 1 298.496 2.140 20 0 CEADMP CCSC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000595095167 345741867 /nfs/dbraw/zinc/74/18/67/345741867.db2.gz UGPRTXDLRQITLD-AWEZNQCLSA-N 2 1 284.469 2.115 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000594917033 345700945 /nfs/dbraw/zinc/70/09/45/345700945.db2.gz FYGDURINKYEODX-BPLDGKMQSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000594917033 345700948 /nfs/dbraw/zinc/70/09/48/345700948.db2.gz FYGDURINKYEODX-BPLDGKMQSA-N 2 1 282.428 2.038 20 0 CEADMP CCSC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000594986881 345721982 /nfs/dbraw/zinc/72/19/82/345721982.db2.gz LJRIGQQIWPYPFX-OLZOCXBDSA-N 2 1 254.443 2.489 20 0 CEADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000595026477 345730169 /nfs/dbraw/zinc/73/01/69/345730169.db2.gz OGBLCIJMMUBTDL-BFHYXJOUSA-N 2 1 284.444 2.427 20 0 CEADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000595026477 345730171 /nfs/dbraw/zinc/73/01/71/345730171.db2.gz OGBLCIJMMUBTDL-BFHYXJOUSA-N 2 1 284.444 2.427 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CC(C)(C)C)C1 ZINC000307849820 539490330 /nfs/dbraw/zinc/49/03/30/539490330.db2.gz ZWLRKJNYOONIFM-GJZGRUSLSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000307849820 539490335 /nfs/dbraw/zinc/49/03/35/539490335.db2.gz ZWLRKJNYOONIFM-GJZGRUSLSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000307849820 539490343 /nfs/dbraw/zinc/49/03/43/539490343.db2.gz ZWLRKJNYOONIFM-GJZGRUSLSA-N 2 1 270.461 2.446 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cs1 ZINC000595896201 345909674 /nfs/dbraw/zinc/90/96/74/345909674.db2.gz IWVCIQOAYLMSCF-YPMHNXCESA-N 2 1 296.436 2.484 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cs1 ZINC000595896201 345909678 /nfs/dbraw/zinc/90/96/78/345909678.db2.gz IWVCIQOAYLMSCF-YPMHNXCESA-N 2 1 296.436 2.484 20 0 CEADMP C[NH+](C)Cc1cccc(NC(=O)C[N@H+]2CCC(C)(C)C2)c1 ZINC000568194501 299124786 /nfs/dbraw/zinc/12/47/86/299124786.db2.gz KCYPYHPLAARIKH-UHFFFAOYSA-N 2 1 289.423 2.419 20 0 CEADMP CN1CC(C[N@@H+](C)CCSCc2ccccc2)C1 ZINC000597204377 346147927 /nfs/dbraw/zinc/14/79/27/346147927.db2.gz AUEPWTYTTVXMQI-UHFFFAOYSA-N 2 1 264.438 2.413 20 0 CEADMP C[C@H](CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000314937178 201929806 /nfs/dbraw/zinc/92/98/06/201929806.db2.gz XXWZBGXFRKWVNY-AEFFLSMTSA-N 2 1 287.451 2.160 20 0 CEADMP Cc1cccc(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000062910875 362732619 /nfs/dbraw/zinc/73/26/19/362732619.db2.gz XTVKITHZVGPMLS-QGZVFWFLSA-N 2 1 273.424 2.117 20 0 CEADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2c(C)cccc2C)CC1 ZINC000063165976 362754384 /nfs/dbraw/zinc/75/43/84/362754384.db2.gz MAAURLPFOVDBJV-UHFFFAOYSA-N 2 1 289.423 2.173 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000063195135 362757948 /nfs/dbraw/zinc/75/79/48/362757948.db2.gz VPTPXVOZGADLOL-WFASDCNBSA-N 2 1 293.386 2.356 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000063195135 362757952 /nfs/dbraw/zinc/75/79/52/362757952.db2.gz VPTPXVOZGADLOL-WFASDCNBSA-N 2 1 293.386 2.356 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000063194726 362758868 /nfs/dbraw/zinc/75/88/68/362758868.db2.gz UPVMKZPKDMINHB-WFASDCNBSA-N 2 1 293.386 2.356 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000063194726 362758871 /nfs/dbraw/zinc/75/88/71/362758871.db2.gz UPVMKZPKDMINHB-WFASDCNBSA-N 2 1 293.386 2.356 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000599312298 346497357 /nfs/dbraw/zinc/49/73/57/346497357.db2.gz GOIQDSPPOHKZHF-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000599312298 346497362 /nfs/dbraw/zinc/49/73/62/346497362.db2.gz GOIQDSPPOHKZHF-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000599312298 346497366 /nfs/dbraw/zinc/49/73/66/346497366.db2.gz GOIQDSPPOHKZHF-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C)o1 ZINC000600192307 346619754 /nfs/dbraw/zinc/61/97/54/346619754.db2.gz VJCCJHMMCZUUPZ-CYBMUJFWSA-N 2 1 294.395 2.196 20 0 CEADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)o1 ZINC000600192307 346619756 /nfs/dbraw/zinc/61/97/56/346619756.db2.gz VJCCJHMMCZUUPZ-CYBMUJFWSA-N 2 1 294.395 2.196 20 0 CEADMP C(=C/c1ccccc1)\C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129200769 365835500 /nfs/dbraw/zinc/83/55/00/365835500.db2.gz KDTMWDSWNONUHD-WEBJUUICSA-N 2 1 286.419 2.354 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000600967581 346721633 /nfs/dbraw/zinc/72/16/33/346721633.db2.gz PGYFCHJPXPZJLI-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000600967581 346721634 /nfs/dbraw/zinc/72/16/34/346721634.db2.gz PGYFCHJPXPZJLI-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000600967581 346721637 /nfs/dbraw/zinc/72/16/37/346721637.db2.gz PGYFCHJPXPZJLI-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336811916 365851877 /nfs/dbraw/zinc/85/18/77/365851877.db2.gz PDWJKMLIHPQZAE-QLFBSQMISA-N 2 1 286.485 2.048 20 0 CEADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336811916 365851880 /nfs/dbraw/zinc/85/18/80/365851880.db2.gz PDWJKMLIHPQZAE-QLFBSQMISA-N 2 1 286.485 2.048 20 0 CEADMP CCS[C@@H]1CC[C@@H]([NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336811916 365851884 /nfs/dbraw/zinc/85/18/84/365851884.db2.gz PDWJKMLIHPQZAE-QLFBSQMISA-N 2 1 286.485 2.048 20 0 CEADMP CCS[C@@H]1CC[C@@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336811916 365851887 /nfs/dbraw/zinc/85/18/87/365851887.db2.gz PDWJKMLIHPQZAE-QLFBSQMISA-N 2 1 286.485 2.048 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccccc1 ZINC000128434759 187370074 /nfs/dbraw/zinc/37/00/74/187370074.db2.gz BHCXHAQYKDHPCN-OAHLLOKOSA-N 2 1 277.412 2.320 20 0 CEADMP Cc1[nH+]ccn1CCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000336820164 365866092 /nfs/dbraw/zinc/86/60/92/365866092.db2.gz BYQBZFDCSVSTCF-INIZCTEOSA-N 2 1 276.428 2.142 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000602685425 347145136 /nfs/dbraw/zinc/14/51/36/347145136.db2.gz OWJWXQBWBNBRJJ-XQLPTFJDSA-N 2 1 282.428 2.181 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602685425 347145140 /nfs/dbraw/zinc/14/51/40/347145140.db2.gz OWJWXQBWBNBRJJ-XQLPTFJDSA-N 2 1 282.428 2.181 20 0 CEADMP C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876214 347234785 /nfs/dbraw/zinc/23/47/85/347234785.db2.gz GAQRDYUZCHLWFC-CYBMUJFWSA-N 2 1 282.428 2.134 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccncc2)C1 ZINC000336823589 365877779 /nfs/dbraw/zinc/87/77/79/365877779.db2.gz QHKFBCQAYFIMTJ-GDBMZVCRSA-N 2 1 275.396 2.019 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccncc2)C1 ZINC000336823589 365877782 /nfs/dbraw/zinc/87/77/82/365877782.db2.gz QHKFBCQAYFIMTJ-GDBMZVCRSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000336823589 365877789 /nfs/dbraw/zinc/87/77/89/365877789.db2.gz QHKFBCQAYFIMTJ-GDBMZVCRSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000336823589 365877794 /nfs/dbraw/zinc/87/77/94/365877794.db2.gz QHKFBCQAYFIMTJ-GDBMZVCRSA-N 2 1 275.396 2.019 20 0 CEADMP CC(C)[C@@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000603072438 347281548 /nfs/dbraw/zinc/28/15/48/347281548.db2.gz AXFGEZYFICFARE-CYBMUJFWSA-N 2 1 290.411 2.064 20 0 CEADMP c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c[nH]1 ZINC000086249664 179255188 /nfs/dbraw/zinc/25/51/88/179255188.db2.gz IXAPUSGIVLJHLX-UHFFFAOYSA-N 2 1 285.391 2.137 20 0 CEADMP Cn1ccnc1C[NH2+][C@H](Cc1nccn1C)c1ccccc1 ZINC000608073150 347561291 /nfs/dbraw/zinc/56/12/91/347561291.db2.gz NMBNAXHUHDNPHB-OAHLLOKOSA-N 2 1 295.390 2.227 20 0 CEADMP CO[C@@H]1CC[N@H+](CCCCC2CCOCC2)[C@@H](C[NH3+])C1 ZINC000336831894 365896630 /nfs/dbraw/zinc/89/66/30/365896630.db2.gz SEUSABZEZNSECT-HZPDHXFCSA-N 2 1 284.444 2.021 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCCC2CCOCC2)[C@@H](C[NH3+])C1 ZINC000336831894 365896636 /nfs/dbraw/zinc/89/66/36/365896636.db2.gz SEUSABZEZNSECT-HZPDHXFCSA-N 2 1 284.444 2.021 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000351849344 219225209 /nfs/dbraw/zinc/22/52/09/219225209.db2.gz GLLJOJJUIUKJKQ-DOTOQJQBSA-N 2 1 276.424 2.305 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000568518501 299142607 /nfs/dbraw/zinc/14/26/07/299142607.db2.gz FDFSKMZMTWSPDE-GVDBMIGSSA-N 2 1 280.456 2.345 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC000336841983 365915515 /nfs/dbraw/zinc/91/55/15/365915515.db2.gz SZHNOCWYCKNTKF-MRXNPFEDSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC000336841983 365915516 /nfs/dbraw/zinc/91/55/16/365915516.db2.gz SZHNOCWYCKNTKF-MRXNPFEDSA-N 2 1 280.456 2.488 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000389228528 539572162 /nfs/dbraw/zinc/57/21/62/539572162.db2.gz HZWVCDBVSJSNFV-OAGGEKHMSA-N 2 1 267.461 2.371 20 0 CEADMP COCC1(CC[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000459581425 290185884 /nfs/dbraw/zinc/18/58/84/290185884.db2.gz CIPLRBRJNWPZEQ-UHFFFAOYSA-N 2 1 266.429 2.410 20 0 CEADMP c1cc(CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc2c1OCC2 ZINC000334419061 539591701 /nfs/dbraw/zinc/59/17/01/539591701.db2.gz SERKPASSECKFHF-GOSISDBHSA-N 2 1 286.419 2.240 20 0 CEADMP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CO2 ZINC000336895760 365938755 /nfs/dbraw/zinc/93/87/55/365938755.db2.gz ZFBQKNJTCMNHQL-OWCLPIDISA-N 2 1 272.392 2.207 20 0 CEADMP Cc1ccc(CCC[N@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000339407921 215152439 /nfs/dbraw/zinc/15/24/39/215152439.db2.gz QPJJSUMJXUMYFH-INIZCTEOSA-N 2 1 261.413 2.397 20 0 CEADMP COc1cc(OC)cc(OCCC[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000339430940 215163697 /nfs/dbraw/zinc/16/36/97/215163697.db2.gz PQZHGMMWCUBEOA-UHFFFAOYSA-N 2 1 296.411 2.142 20 0 CEADMP COc1cc(OC)cc(OCCC[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000339430940 215163699 /nfs/dbraw/zinc/16/36/99/215163699.db2.gz PQZHGMMWCUBEOA-UHFFFAOYSA-N 2 1 296.411 2.142 20 0 CEADMP C[NH+]1CCC([NH2+]CC2(O)CCC(C)(C)CC2)CC1 ZINC000087046295 179388270 /nfs/dbraw/zinc/38/82/70/179388270.db2.gz CAPDBFBWUZATME-UHFFFAOYSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000568779577 299153973 /nfs/dbraw/zinc/15/39/73/299153973.db2.gz PZVQFQXVAPENNM-MRXNPFEDSA-N 2 1 295.471 2.101 20 0 CEADMP FC(F)COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357055463 233000966 /nfs/dbraw/zinc/00/09/66/233000966.db2.gz ROPMDWHRSQJOOO-UONOGXRCSA-N 2 1 296.361 2.372 20 0 CEADMP FC(F)COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357055463 233000969 /nfs/dbraw/zinc/00/09/69/233000969.db2.gz ROPMDWHRSQJOOO-UONOGXRCSA-N 2 1 296.361 2.372 20 0 CEADMP C[C@H](C1CC[NH+](C)CC1)N(C)c1[nH+]cnc2[nH]ccc21 ZINC000273360576 192125565 /nfs/dbraw/zinc/12/55/65/192125565.db2.gz WKNMMTQGFGXUAM-LLVKDONJSA-N 2 1 273.384 2.124 20 0 CEADMP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623348845 349995003 /nfs/dbraw/zinc/99/50/03/349995003.db2.gz NBYLPUDQQYSKNG-AWEZNQCLSA-N 2 1 278.444 2.042 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000617009750 348610216 /nfs/dbraw/zinc/61/02/16/348610216.db2.gz FHAHZRTXCLBZNJ-OLZOCXBDSA-N 2 1 283.460 2.142 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339074418 539657707 /nfs/dbraw/zinc/65/77/07/539657707.db2.gz LDQTWQOCAOQNJK-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339074418 539657711 /nfs/dbraw/zinc/65/77/11/539657711.db2.gz LDQTWQOCAOQNJK-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339074418 539657714 /nfs/dbraw/zinc/65/77/14/539657714.db2.gz LDQTWQOCAOQNJK-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP COCCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000339066188 539659375 /nfs/dbraw/zinc/65/93/75/539659375.db2.gz IMAPWCFIKPBFFT-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1cccnc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000357393102 233062333 /nfs/dbraw/zinc/06/23/33/233062333.db2.gz WKOUIUKBNBKFPX-BHYGNILZSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cccnc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000357393102 233062334 /nfs/dbraw/zinc/06/23/34/233062334.db2.gz WKOUIUKBNBKFPX-BHYGNILZSA-N 2 1 289.423 2.074 20 0 CEADMP CC[N@@H+](CCOc1ccccc1OC)C[C@H]1CCC[NH2+]C1 ZINC000233467736 539671610 /nfs/dbraw/zinc/67/16/10/539671610.db2.gz DGRLGQRNQRVCHE-HNNXBMFYSA-N 2 1 292.423 2.396 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C)o1 ZINC000357780187 233142530 /nfs/dbraw/zinc/14/25/30/233142530.db2.gz UUZUEEZEQNMTKW-FIXISWKDSA-N 2 1 265.401 2.152 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C)o1 ZINC000357780190 233142730 /nfs/dbraw/zinc/14/27/30/233142730.db2.gz UUZUEEZEQNMTKW-UEKVPHQBSA-N 2 1 265.401 2.152 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000618990639 349089244 /nfs/dbraw/zinc/08/92/44/349089244.db2.gz MNRSKLXZEQWVAM-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000402386063 233188570 /nfs/dbraw/zinc/18/85/70/233188570.db2.gz QBPPFFRBJYPHBS-KBXIAJHMSA-N 2 1 254.418 2.121 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000619894987 349244890 /nfs/dbraw/zinc/24/48/90/349244890.db2.gz RFAABYVHOJQRFE-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1O ZINC000411441261 233247984 /nfs/dbraw/zinc/24/79/84/233247984.db2.gz PGWVLTHGYKUEEP-QAPCUYQASA-N 2 1 288.435 2.485 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1C ZINC000623397951 350009583 /nfs/dbraw/zinc/00/95/83/350009583.db2.gz WKAODMQNLOWFNN-AWEZNQCLSA-N 2 1 278.444 2.482 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000623397951 350009586 /nfs/dbraw/zinc/00/95/86/350009586.db2.gz WKAODMQNLOWFNN-AWEZNQCLSA-N 2 1 278.444 2.482 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1C1CC1 ZINC000623412339 350012744 /nfs/dbraw/zinc/01/27/44/350012744.db2.gz DSCCYHBLJYYMQQ-ORQFMDKSSA-N 2 1 280.456 2.248 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOC2CCOCC2)CC1(C)C ZINC000623429671 350018529 /nfs/dbraw/zinc/01/85/29/350018529.db2.gz MDDFAIZMACWZSK-AWEZNQCLSA-N 2 1 284.444 2.035 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCC[C@H]2O)CC1(C)C ZINC000623439351 350021085 /nfs/dbraw/zinc/02/10/85/350021085.db2.gz GBKGDCXTRDKRLZ-SQWLQELKSA-N 2 1 268.445 2.390 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCc2ccccn2)CC1(C)C ZINC000623467550 350026919 /nfs/dbraw/zinc/02/69/19/350026919.db2.gz NRZARSINFUEKDJ-OAHLLOKOSA-N 2 1 261.413 2.477 20 0 CEADMP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+](C)CC2)nc1 ZINC000623648062 350074396 /nfs/dbraw/zinc/07/43/96/350074396.db2.gz YHORBVDLPGLNSE-UHFFFAOYSA-N 2 1 261.413 2.351 20 0 CEADMP COCc1ccc(CNC[C@@H]2CCCC[N@@H+](C)C2)o1 ZINC000623656242 350076509 /nfs/dbraw/zinc/07/65/09/350076509.db2.gz PVJQJWPCMOHHMQ-ZDUSSCGKSA-N 2 1 266.385 2.248 20 0 CEADMP CCCn1nccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657336 350077403 /nfs/dbraw/zinc/07/74/03/350077403.db2.gz NYPKAOFQNLFRQY-AWEZNQCLSA-N 2 1 264.417 2.115 20 0 CEADMP CCCn1nccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657336 350077405 /nfs/dbraw/zinc/07/74/05/350077405.db2.gz NYPKAOFQNLFRQY-AWEZNQCLSA-N 2 1 264.417 2.115 20 0 CEADMP CCO[C@@H]1C[C@](CO)([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1(C)C ZINC000623502466 350036205 /nfs/dbraw/zinc/03/62/05/350036205.db2.gz KVCCDRXYZJVPSH-CKEIUWERSA-N 2 1 298.471 2.015 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2Cc3cccc(O)c3C2)CC1(C)C ZINC000623507552 350037265 /nfs/dbraw/zinc/03/72/65/350037265.db2.gz QHQPDYWDMKDHPM-KGLIPLIRSA-N 2 1 274.408 2.322 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOC2(C)C)CC1(C)C ZINC000623574346 350054868 /nfs/dbraw/zinc/05/48/68/350054868.db2.gz LLTHCEQLWLMCML-OLZOCXBDSA-N 2 1 254.418 2.264 20 0 CEADMP COCc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000090720306 180030475 /nfs/dbraw/zinc/03/04/75/180030475.db2.gz YUBPEWWCKKMXLM-BBRMVZONSA-N 2 1 262.397 2.405 20 0 CEADMP Cc1cc(CO)cc(N[C@@H](C)C2CC[NH+](C)CC2)[nH+]1 ZINC000623968554 350158125 /nfs/dbraw/zinc/15/81/25/350158125.db2.gz GMHDOTUEBOOKFQ-LBPRGKRZSA-N 2 1 263.385 2.025 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC000624119937 350199026 /nfs/dbraw/zinc/19/90/26/350199026.db2.gz MVFYOUKHKMCZMA-CQSZACIVSA-N 2 1 258.409 2.475 20 0 CEADMP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120730 350199106 /nfs/dbraw/zinc/19/91/06/350199106.db2.gz FSVVZLMZLNRDMA-LSDHHAIUSA-N 2 1 256.434 2.369 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)n1 ZINC000624122469 350199783 /nfs/dbraw/zinc/19/97/83/350199783.db2.gz RUUYVFCHEIXQGN-GJZGRUSLSA-N 2 1 291.439 2.343 20 0 CEADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000624183629 350221917 /nfs/dbraw/zinc/22/19/17/350221917.db2.gz XSBZVVGNYVUTNG-SSOQLKFYSA-N 2 1 296.455 2.031 20 0 CEADMP Cc1nc(C)c(C[N@H+](C)C2CCC([NH3+])CC2)s1 ZINC000091843968 180269139 /nfs/dbraw/zinc/26/91/39/180269139.db2.gz QRSJMTJZALXARX-UHFFFAOYSA-N 2 1 253.415 2.462 20 0 CEADMP COc1ccc(CC[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000091846649 180270125 /nfs/dbraw/zinc/27/01/25/180270125.db2.gz IEVLGBLJKAJQSY-UHFFFAOYSA-N 2 1 262.397 2.439 20 0 CEADMP CC(C)OCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875945 186081999 /nfs/dbraw/zinc/08/19/99/186081999.db2.gz VMESUYBIKFJJHW-UHFFFAOYSA-N 2 1 265.401 2.100 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000107368975 186171988 /nfs/dbraw/zinc/17/19/88/186171988.db2.gz IHYXGBNPLGJRRB-MBNRZODZSA-N 2 1 299.462 2.412 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000130502390 365963730 /nfs/dbraw/zinc/96/37/30/365963730.db2.gz USFZYUWZOMJXMJ-ZFWWWQNUSA-N 2 1 262.397 2.255 20 0 CEADMP COCCCCC[N@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337067394 366005997 /nfs/dbraw/zinc/00/59/97/366005997.db2.gz KTRHPAXNRXXYAN-IAGOWNOFSA-N 2 1 276.424 2.477 20 0 CEADMP CC(C)[C@H](C[NH2+]C[C@@H]1CCCOC1)[NH+]1CCCC1 ZINC000111318092 186395894 /nfs/dbraw/zinc/39/58/94/186395894.db2.gz HGHLASLNGIWZBV-GJZGRUSLSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2cncn2C)C[C@H]1C ZINC000568996302 299173567 /nfs/dbraw/zinc/17/35/67/299173567.db2.gz DMWRWYUEWNPSJH-CABCVRRESA-N 3 1 278.444 2.157 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2cncn2C)C[C@H]1C ZINC000568996302 299173570 /nfs/dbraw/zinc/17/35/70/299173570.db2.gz DMWRWYUEWNPSJH-CABCVRRESA-N 3 1 278.444 2.157 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2cncn2C)C[C@H]1C ZINC000568996302 299173573 /nfs/dbraw/zinc/17/35/73/299173573.db2.gz DMWRWYUEWNPSJH-CABCVRRESA-N 3 1 278.444 2.157 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CC(F)(F)C1 ZINC000628216936 351009394 /nfs/dbraw/zinc/00/93/94/351009394.db2.gz FWRQAZVILHDXMD-TZMCWYRMSA-N 2 1 290.398 2.247 20 0 CEADMP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000628546049 351135876 /nfs/dbraw/zinc/13/58/76/351135876.db2.gz LHYQMTQHKIZPRC-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[C@H](C)CCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000629513251 351383210 /nfs/dbraw/zinc/38/32/10/351383210.db2.gz XWCJGAWXFSHORE-HNNXBMFYSA-N 2 1 255.450 2.040 20 0 CEADMP [NH3+]C1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CCOCC1 ZINC000629522331 351388534 /nfs/dbraw/zinc/38/85/34/351388534.db2.gz ZWEDADJSOMKFCN-OAHLLOKOSA-N 2 1 275.396 2.020 20 0 CEADMP Cc1ccc2ncc(C[N@@H+](C)C3CC([NH3+])C3)cc2c1 ZINC000629532757 351396056 /nfs/dbraw/zinc/39/60/56/351396056.db2.gz QAKCNIVEJJNUEX-UHFFFAOYSA-N 2 1 255.365 2.465 20 0 CEADMP Cc1ccc2ncc(C[N@H+](C)C3CC([NH3+])C3)cc2c1 ZINC000629532757 351396060 /nfs/dbraw/zinc/39/60/60/351396060.db2.gz QAKCNIVEJJNUEX-UHFFFAOYSA-N 2 1 255.365 2.465 20 0 CEADMP C[C@H]1CC2(C[N@@H+]1Cc1noc(C3CCC3)n1)CC[NH2+]CC2 ZINC000629538376 351400750 /nfs/dbraw/zinc/40/07/50/351400750.db2.gz MEPJXRYZTYNHJZ-LBPRGKRZSA-N 2 1 290.411 2.301 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1noc(C3CCC3)n1)CC[NH2+]CC2 ZINC000629538376 351400752 /nfs/dbraw/zinc/40/07/52/351400752.db2.gz MEPJXRYZTYNHJZ-LBPRGKRZSA-N 2 1 290.411 2.301 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542932 351404191 /nfs/dbraw/zinc/40/41/91/351404191.db2.gz PMZPESNHKJZQCS-YRGRVCCFSA-N 2 1 250.361 2.487 20 0 CEADMP COCC(C)(C)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629652459 351449810 /nfs/dbraw/zinc/44/98/10/351449810.db2.gz ATNVHKCXWQIOCJ-QWRGUYRKSA-N 2 1 282.350 2.118 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)CC[C@@H](C)c1ccccc1 ZINC000629654982 351451687 /nfs/dbraw/zinc/45/16/87/351451687.db2.gz VESSWMJFGBOYAD-OAHLLOKOSA-N 2 1 264.413 2.348 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629665062 351456862 /nfs/dbraw/zinc/45/68/62/351456862.db2.gz LXHKSDFOEZKSCK-CALCHBBNSA-N 2 1 287.407 2.076 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629665062 351456866 /nfs/dbraw/zinc/45/68/66/351456866.db2.gz LXHKSDFOEZKSCK-CALCHBBNSA-N 2 1 287.407 2.076 20 0 CEADMP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1F ZINC000629672439 351460398 /nfs/dbraw/zinc/46/03/98/351460398.db2.gz SBNDKQQWJRWCKL-TYNCELHUSA-N 2 1 280.387 2.353 20 0 CEADMP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000629549518 351408582 /nfs/dbraw/zinc/40/85/82/351408582.db2.gz XYLSODPHBYFOBA-MXSMSXNCSA-N 2 1 287.451 2.237 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CCC1 ZINC000629565036 351415828 /nfs/dbraw/zinc/41/58/28/351415828.db2.gz UPVKGVGBKRWROY-RWMBFGLXSA-N 2 1 294.361 2.261 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000629571915 351419391 /nfs/dbraw/zinc/41/93/91/351419391.db2.gz STZJCNRGVUAYCE-LBPRGKRZSA-N 2 1 254.349 2.055 20 0 CEADMP O[C@@H](C[NH2+][C@@H]1C[C@H]1c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000629578737 351420380 /nfs/dbraw/zinc/42/03/80/351420380.db2.gz MFQCOTWWRCRDDO-HRCADAONSA-N 2 1 294.826 2.242 20 0 CEADMP Cc1cc2cc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)ccc2[nH]1 ZINC000629581163 351422399 /nfs/dbraw/zinc/42/23/99/351422399.db2.gz PONKJCXEOXNDDI-INIZCTEOSA-N 2 1 287.407 2.023 20 0 CEADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC2(CC2)CC1 ZINC000629585945 351423898 /nfs/dbraw/zinc/42/38/98/351423898.db2.gz HWLIIPONJHVCBK-IRXDYDNUSA-N 2 1 288.435 2.183 20 0 CEADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000629589831 351424820 /nfs/dbraw/zinc/42/48/20/351424820.db2.gz ARMAXYKBBSTICL-AEFFLSMTSA-N 2 1 290.451 2.443 20 0 CEADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000629589831 351424825 /nfs/dbraw/zinc/42/48/25/351424825.db2.gz ARMAXYKBBSTICL-AEFFLSMTSA-N 2 1 290.451 2.443 20 0 CEADMP CCN(C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000070170481 363043510 /nfs/dbraw/zinc/04/35/10/363043510.db2.gz XXWXLIIKHKLBAC-OAHLLOKOSA-N 2 1 289.423 2.100 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000070170955 363044595 /nfs/dbraw/zinc/04/45/95/363044595.db2.gz GIONEAXVUKGYIW-ZDUSSCGKSA-N 2 1 276.380 2.034 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070171812 363045115 /nfs/dbraw/zinc/04/51/15/363045115.db2.gz ZDCRUBDXNMDMGD-DOMZBBRYSA-N 2 1 275.396 2.204 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000070174621 363048388 /nfs/dbraw/zinc/04/83/88/363048388.db2.gz ZQQHDKWLHRKAGS-STQMWFEESA-N 2 1 293.386 2.214 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC000070356920 363074420 /nfs/dbraw/zinc/07/44/20/363074420.db2.gz WQWLFYAALUCQIE-KFWWJZLASA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000131280489 366038018 /nfs/dbraw/zinc/03/80/18/366038018.db2.gz OVJDPRAXKIQUOE-SFHVURJKSA-N 2 1 290.451 2.300 20 0 CEADMP COCCc1ncc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000631056474 351941256 /nfs/dbraw/zinc/94/12/56/351941256.db2.gz OGXHVFPWVMXMAQ-CYBMUJFWSA-N 2 1 297.468 2.152 20 0 CEADMP COCCc1ncc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)s1 ZINC000631056474 351941258 /nfs/dbraw/zinc/94/12/58/351941258.db2.gz OGXHVFPWVMXMAQ-CYBMUJFWSA-N 2 1 297.468 2.152 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000631196790 352011701 /nfs/dbraw/zinc/01/17/01/352011701.db2.gz AQOMZRISXVPILC-BGTYHANMSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000631196790 352011703 /nfs/dbraw/zinc/01/17/03/352011703.db2.gz AQOMZRISXVPILC-BGTYHANMSA-N 2 1 288.435 2.400 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000631122476 351975093 /nfs/dbraw/zinc/97/50/93/351975093.db2.gz PZVPSZKTPSAQBN-HNNXBMFYSA-N 2 1 298.390 2.194 20 0 CEADMP C[C@H](C[NH2+]Cc1ccc(C(F)F)nc1)C[NH+](C)C ZINC000631139494 351983114 /nfs/dbraw/zinc/98/31/14/351983114.db2.gz HUTHERJJDAQVBI-SNVBAGLBSA-N 2 1 257.328 2.307 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCCC[C@@H]2CC)CC[N@H+]1C ZINC000631285473 352053338 /nfs/dbraw/zinc/05/33/38/352053338.db2.gz CUCNZWPQKIJDKY-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)CC[NH+]1C ZINC000631285473 352053342 /nfs/dbraw/zinc/05/33/42/352053342.db2.gz CUCNZWPQKIJDKY-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]2CCCC[C@@H]2CC)CC[NH+]1C ZINC000631285473 352053346 /nfs/dbraw/zinc/05/33/46/352053346.db2.gz CUCNZWPQKIJDKY-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093215451 539845164 /nfs/dbraw/zinc/84/51/64/539845164.db2.gz MSYCSDTZYPBQID-UONOGXRCSA-N 2 1 263.385 2.228 20 0 CEADMP C[N@@H+](CCCC1CC[NH2+]CC1)CCOCC1CC1 ZINC000094989890 539888974 /nfs/dbraw/zinc/88/89/74/539888974.db2.gz SJNLJYRQIFGZIG-UHFFFAOYSA-N 2 1 254.418 2.125 20 0 CEADMP COCc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292153584 198183025 /nfs/dbraw/zinc/18/30/25/198183025.db2.gz NTHGMNZKECFVIR-KRWDZBQOSA-N 2 1 274.408 2.361 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292153584 198183027 /nfs/dbraw/zinc/18/30/27/198183027.db2.gz NTHGMNZKECFVIR-KRWDZBQOSA-N 2 1 274.408 2.361 20 0 CEADMP COCc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292153584 198183028 /nfs/dbraw/zinc/18/30/28/198183028.db2.gz NTHGMNZKECFVIR-KRWDZBQOSA-N 2 1 274.408 2.361 20 0 CEADMP COCc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292153584 198183030 /nfs/dbraw/zinc/18/30/30/198183030.db2.gz NTHGMNZKECFVIR-KRWDZBQOSA-N 2 1 274.408 2.361 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000430928322 539933454 /nfs/dbraw/zinc/93/34/54/539933454.db2.gz SWQQCEQPXVUKRQ-IUODEOHRSA-N 2 1 280.437 2.456 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000250242220 539964266 /nfs/dbraw/zinc/96/42/66/539964266.db2.gz MIARCDBWBDWOAF-KGLIPLIRSA-N 2 1 278.396 2.276 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000250242220 539964271 /nfs/dbraw/zinc/96/42/71/539964271.db2.gz MIARCDBWBDWOAF-KGLIPLIRSA-N 2 1 278.396 2.276 20 0 CEADMP Cc1ccncc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250865916 539969538 /nfs/dbraw/zinc/96/95/38/539969538.db2.gz GUDUKKPZDMXNFK-GOEBONIOSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ccncc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250865916 539969541 /nfs/dbraw/zinc/96/95/41/539969541.db2.gz GUDUKKPZDMXNFK-GOEBONIOSA-N 2 1 259.397 2.354 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250948161 539970141 /nfs/dbraw/zinc/97/01/41/539970141.db2.gz DWFXOLJCKOEUBA-RHSMWYFYSA-N 2 1 289.423 2.363 20 0 CEADMP C[C@H]1CC[N@@H+](CCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC000309854610 539978549 /nfs/dbraw/zinc/97/85/49/539978549.db2.gz BTKUIOXWRZFKMM-HOCLYGCPSA-N 2 1 262.397 2.120 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000155457897 188207626 /nfs/dbraw/zinc/20/76/26/188207626.db2.gz LMEFTTRQSABJRR-IIYDPXPESA-N 2 1 289.423 2.463 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000155457897 188207627 /nfs/dbraw/zinc/20/76/27/188207627.db2.gz LMEFTTRQSABJRR-IIYDPXPESA-N 2 1 289.423 2.463 20 0 CEADMP Cc1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000156092872 188242335 /nfs/dbraw/zinc/24/23/35/188242335.db2.gz MOZOXTODTUFDPD-HIFRSBDPSA-N 2 1 275.396 2.012 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000156092872 188242336 /nfs/dbraw/zinc/24/23/36/188242336.db2.gz MOZOXTODTUFDPD-HIFRSBDPSA-N 2 1 275.396 2.012 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000156092872 188242337 /nfs/dbraw/zinc/24/23/37/188242337.db2.gz MOZOXTODTUFDPD-HIFRSBDPSA-N 2 1 275.396 2.012 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOc2ccccc2OC)CC[C@H]1[NH3+] ZINC000251819116 539991960 /nfs/dbraw/zinc/99/19/60/539991960.db2.gz PCYAWGMLUGLNDD-ZIAGYGMSSA-N 2 1 278.396 2.133 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000292727109 198390682 /nfs/dbraw/zinc/39/06/82/198390682.db2.gz GGAWKPFMOFFFQN-XYPHTWIQSA-N 2 1 294.414 2.144 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000292727109 198390684 /nfs/dbraw/zinc/39/06/84/198390684.db2.gz GGAWKPFMOFFFQN-XYPHTWIQSA-N 2 1 294.414 2.144 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)Cc2ccc(F)cc2)CC[NH+]1C ZINC000292727109 198390686 /nfs/dbraw/zinc/39/06/86/198390686.db2.gz GGAWKPFMOFFFQN-XYPHTWIQSA-N 2 1 294.414 2.144 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)Cc2ccc(F)cc2)CC[NH+]1C ZINC000292727109 198390687 /nfs/dbraw/zinc/39/06/87/198390687.db2.gz GGAWKPFMOFFFQN-XYPHTWIQSA-N 2 1 294.414 2.144 20 0 CEADMP CO[C@@H](C)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC000337243965 366102092 /nfs/dbraw/zinc/10/20/92/366102092.db2.gz HNGZNQAPUCVCFD-KRWDZBQOSA-N 2 1 299.503 2.148 20 0 CEADMP FC(F)Oc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132016833 366110336 /nfs/dbraw/zinc/11/03/36/366110336.db2.gz VJHFIKZUHMPTSB-NSHDSACASA-N 2 1 270.323 2.377 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCSC2)[C@@H](C)C1 ZINC000494989044 291010112 /nfs/dbraw/zinc/01/01/12/291010112.db2.gz ZXTJURKHLADSLV-IHRRRGAJSA-N 2 1 256.459 2.402 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCSC2)[C@@H](C)C1 ZINC000494989044 291010113 /nfs/dbraw/zinc/01/01/13/291010113.db2.gz ZXTJURKHLADSLV-IHRRRGAJSA-N 2 1 256.459 2.402 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCSC2)[C@@H](C)C1 ZINC000494989044 291010114 /nfs/dbraw/zinc/01/01/14/291010114.db2.gz ZXTJURKHLADSLV-IHRRRGAJSA-N 2 1 256.459 2.402 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCSC2)[C@@H](C)C1 ZINC000494989046 291010141 /nfs/dbraw/zinc/01/01/41/291010141.db2.gz ZXTJURKHLADSLV-MJBXVCDLSA-N 2 1 256.459 2.402 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCSC2)[C@@H](C)C1 ZINC000494989046 291010142 /nfs/dbraw/zinc/01/01/42/291010142.db2.gz ZXTJURKHLADSLV-MJBXVCDLSA-N 2 1 256.459 2.402 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCSC2)[C@@H](C)C1 ZINC000494989046 291010143 /nfs/dbraw/zinc/01/01/43/291010143.db2.gz ZXTJURKHLADSLV-MJBXVCDLSA-N 2 1 256.459 2.402 20 0 CEADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338055609 366192347 /nfs/dbraw/zinc/19/23/47/366192347.db2.gz XZAFYWLIDHVRTD-BYNSBNAKSA-N 2 1 283.460 2.094 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(CC[C@@H]2CCC[NH+]2C)C1 ZINC000162081260 283061886 /nfs/dbraw/zinc/06/18/86/283061886.db2.gz JZSHVRXIXMMDRM-HOTGVXAUSA-N 2 1 267.461 2.134 20 0 CEADMP CCC[NH+](C)C[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000162081260 283061890 /nfs/dbraw/zinc/06/18/90/283061890.db2.gz JZSHVRXIXMMDRM-HOTGVXAUSA-N 2 1 267.461 2.134 20 0 CEADMP CCC[NH+](C)C[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000162081260 283061895 /nfs/dbraw/zinc/06/18/95/283061895.db2.gz JZSHVRXIXMMDRM-HOTGVXAUSA-N 2 1 267.461 2.134 20 0 CEADMP CC[NH+]1C[C@H](C)N(C(=O)CC[N@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000516784965 540112045 /nfs/dbraw/zinc/11/20/45/540112045.db2.gz SJGMIQYJXZXFGE-JYJNAYRXSA-N 2 1 295.471 2.192 20 0 CEADMP Cc1nc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cs1 ZINC000271807958 191340200 /nfs/dbraw/zinc/34/02/00/191340200.db2.gz ADRLCLNFLJLQIC-SNVBAGLBSA-N 2 1 251.399 2.364 20 0 CEADMP Cc1nc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cs1 ZINC000271807958 191340201 /nfs/dbraw/zinc/34/02/01/191340201.db2.gz ADRLCLNFLJLQIC-SNVBAGLBSA-N 2 1 251.399 2.364 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccnn2C)C(C)C)[C@@H](C)C1 ZINC000682647364 540131251 /nfs/dbraw/zinc/13/12/51/540131251.db2.gz PZDDHFXXZWHYPN-XHSDSOJGSA-N 2 1 292.471 2.480 20 0 CEADMP CCC[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000252425470 283105527 /nfs/dbraw/zinc/10/55/27/283105527.db2.gz NSVRWBFLWXBIAF-ZBFHGGJFSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000252425470 283105528 /nfs/dbraw/zinc/10/55/28/283105528.db2.gz NSVRWBFLWXBIAF-ZBFHGGJFSA-N 2 1 295.471 2.145 20 0 CEADMP CO[C@H]1C[C@@H]([N@H+](C)CCn2cc[nH+]c2C)C12CCC2 ZINC000451835538 283121224 /nfs/dbraw/zinc/12/12/24/283121224.db2.gz AWWZBIWARJJOMJ-KGLIPLIRSA-N 2 1 263.385 2.081 20 0 CEADMP CO[C@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2C)C12CCC2 ZINC000451835538 283121226 /nfs/dbraw/zinc/12/12/26/283121226.db2.gz AWWZBIWARJJOMJ-KGLIPLIRSA-N 2 1 263.385 2.081 20 0 CEADMP CC[C@@H](C)[NH+]1CCN(CCCCn2cc[nH+]c2C)CC1 ZINC000451832683 283120040 /nfs/dbraw/zinc/12/00/40/283120040.db2.gz CBIGVZRIPDJJEF-OAHLLOKOSA-N 2 1 278.444 2.388 20 0 CEADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000163218312 540203770 /nfs/dbraw/zinc/20/37/70/540203770.db2.gz CPXKGSGVEZDVOU-CABCVRRESA-N 2 1 262.397 2.351 20 0 CEADMP CO[C@@H]1C[C@H]([N@H+](C)CCCn2cc[nH+]c2C)C12CCC2 ZINC000451854708 283126172 /nfs/dbraw/zinc/12/61/72/283126172.db2.gz QZCGZJROUJRHDP-LSDHHAIUSA-N 2 1 277.412 2.471 20 0 CEADMP CO[C@@H]1C[C@H]([N@@H+](C)CCCn2cc[nH+]c2C)C12CCC2 ZINC000451854708 283126174 /nfs/dbraw/zinc/12/61/74/283126174.db2.gz QZCGZJROUJRHDP-LSDHHAIUSA-N 2 1 277.412 2.471 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000451882536 283134053 /nfs/dbraw/zinc/13/40/53/283134053.db2.gz ADKYVFXLDLBBAT-ZFWWWQNUSA-N 2 1 264.417 2.428 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000451882536 283134055 /nfs/dbraw/zinc/13/40/55/283134055.db2.gz ADKYVFXLDLBBAT-ZFWWWQNUSA-N 2 1 264.417 2.428 20 0 CEADMP C[C@H]1C[C@@H](NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000129675372 291083924 /nfs/dbraw/zinc/08/39/24/291083924.db2.gz SQSMJTFERVECPJ-XIRDDKMYSA-N 2 1 275.440 2.362 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000495912157 291090601 /nfs/dbraw/zinc/09/06/01/291090601.db2.gz MLMKOVSFRMBHGD-CQSZACIVSA-N 2 1 299.459 2.223 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000496003693 291099344 /nfs/dbraw/zinc/09/93/44/291099344.db2.gz CIBYGMJMUFRWKI-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000496003693 291099345 /nfs/dbraw/zinc/09/93/45/291099345.db2.gz CIBYGMJMUFRWKI-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCC[C@@H](C)C1 ZINC000452062141 283174152 /nfs/dbraw/zinc/17/41/52/283174152.db2.gz RMKHMWAPUJDWTI-ORIJERBGSA-N 2 1 268.445 2.246 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCC[C@@H](C)C1 ZINC000452062141 283174154 /nfs/dbraw/zinc/17/41/54/283174154.db2.gz RMKHMWAPUJDWTI-ORIJERBGSA-N 2 1 268.445 2.246 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H](CO)c1sccc1C ZINC000338276286 366267124 /nfs/dbraw/zinc/26/71/24/366267124.db2.gz ATVNFWBTBFXNFO-ZDUSSCGKSA-N 2 1 270.442 2.411 20 0 CEADMP COc1ccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)nc1 ZINC000338318807 366293446 /nfs/dbraw/zinc/29/34/46/366293446.db2.gz RYUMSTQZSYBSNV-HNNXBMFYSA-N 2 1 289.423 2.254 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H](O)C1CCCCC1 ZINC000452094383 283185115 /nfs/dbraw/zinc/18/51/15/283185115.db2.gz IPKNOHZMDDZLBF-OAHLLOKOSA-N 2 1 268.445 2.392 20 0 CEADMP COCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869143 366367403 /nfs/dbraw/zinc/36/74/03/366367403.db2.gz VBRMIGGKNCYSIL-GDBMZVCRSA-N 2 1 266.429 2.362 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccc(C)cc1 ZINC000577699836 366383172 /nfs/dbraw/zinc/38/31/72/366383172.db2.gz PWYNKNUOCAZERQ-HOCLYGCPSA-N 2 1 264.413 2.300 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccc(C)cc1 ZINC000577699836 366383181 /nfs/dbraw/zinc/38/31/81/366383181.db2.gz PWYNKNUOCAZERQ-HOCLYGCPSA-N 2 1 264.413 2.300 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000577699836 366383185 /nfs/dbraw/zinc/38/31/85/366383185.db2.gz PWYNKNUOCAZERQ-HOCLYGCPSA-N 2 1 264.413 2.300 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000577699836 366383190 /nfs/dbraw/zinc/38/31/90/366383190.db2.gz PWYNKNUOCAZERQ-HOCLYGCPSA-N 2 1 264.413 2.300 20 0 CEADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)C[C@H](F)CC ZINC000344136081 283260175 /nfs/dbraw/zinc/26/01/75/283260175.db2.gz UATWMLGJQCWGLF-OAHLLOKOSA-N 2 1 273.440 2.084 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000121526143 538895818 /nfs/dbraw/zinc/89/58/18/538895818.db2.gz RCHVCMGORTZBAI-KBPBESRZSA-N 3 1 278.444 2.148 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCC(C(F)(F)F)CC1 ZINC000433128217 538896042 /nfs/dbraw/zinc/89/60/42/538896042.db2.gz WGVGDRUVYPHOCN-XVSSEFHLSA-N 2 1 296.377 2.256 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCC(C(F)(F)F)CC1 ZINC000433128216 538896083 /nfs/dbraw/zinc/89/60/83/538896083.db2.gz WGVGDRUVYPHOCN-WTIISPKJSA-N 2 1 296.377 2.256 20 0 CEADMP c1ccc2c(c1)CC(C[NH2+]C[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000685839874 540368149 /nfs/dbraw/zinc/36/81/49/540368149.db2.gz OIVRUSBPOWHOFL-CQSZACIVSA-N 2 1 270.420 2.475 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(CO)Cc2ccccc2)CC[N@H+]1C ZINC000358044772 540371695 /nfs/dbraw/zinc/37/16/95/540371695.db2.gz GEYMGBRTKZXZRB-NXHRZFHOSA-N 2 1 290.451 2.300 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000158063234 540378195 /nfs/dbraw/zinc/37/81/95/540378195.db2.gz VTUZHYAILJBJNH-GBJTYRQASA-N 2 1 252.402 2.160 20 0 CEADMP CC(C)c1nnc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[nH]1 ZINC000329182056 202221479 /nfs/dbraw/zinc/22/14/79/202221479.db2.gz OWUNVZAWHYFXRA-YNEHKIRRSA-N 2 1 277.416 2.206 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000577741764 366390433 /nfs/dbraw/zinc/39/04/33/366390433.db2.gz AWWKDFUPDPTMHR-IAGOWNOFSA-N 2 1 294.414 2.102 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000577741764 366390435 /nfs/dbraw/zinc/39/04/35/366390435.db2.gz AWWKDFUPDPTMHR-IAGOWNOFSA-N 2 1 294.414 2.102 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000577741764 366390437 /nfs/dbraw/zinc/39/04/37/366390437.db2.gz AWWKDFUPDPTMHR-IAGOWNOFSA-N 2 1 294.414 2.102 20 0 CEADMP CCC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000135183600 366404814 /nfs/dbraw/zinc/40/48/14/366404814.db2.gz APEAPVQQYQUZOT-KRWDZBQOSA-N 2 1 276.424 2.402 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415019430 236598452 /nfs/dbraw/zinc/59/84/52/236598452.db2.gz VWRQPASMOGJTRG-CYBMUJFWSA-N 2 1 287.411 2.183 20 0 CEADMP Cc1cnc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)o1 ZINC000136095268 366493837 /nfs/dbraw/zinc/49/38/37/366493837.db2.gz DNCVJRPNTFQXEA-WCQYABFASA-N 2 1 260.341 2.263 20 0 CEADMP Cc1cnc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)o1 ZINC000136095268 366493842 /nfs/dbraw/zinc/49/38/42/366493842.db2.gz DNCVJRPNTFQXEA-WCQYABFASA-N 2 1 260.341 2.263 20 0 CEADMP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+](C)C)cc2F)C1 ZINC000578521101 366505963 /nfs/dbraw/zinc/50/59/63/366505963.db2.gz LYCPMTBSVKWXSR-GFCCVEGCSA-N 2 1 293.386 2.168 20 0 CEADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+](C)C)cc2F)C1 ZINC000578521101 366505971 /nfs/dbraw/zinc/50/59/71/366505971.db2.gz LYCPMTBSVKWXSR-GFCCVEGCSA-N 2 1 293.386 2.168 20 0 CEADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000136301681 366508184 /nfs/dbraw/zinc/50/81/84/366508184.db2.gz JFTQBFPANXJGQI-CYBMUJFWSA-N 2 1 294.443 2.207 20 0 CEADMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136301681 366508187 /nfs/dbraw/zinc/50/81/87/366508187.db2.gz JFTQBFPANXJGQI-CYBMUJFWSA-N 2 1 294.443 2.207 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671756389 540503375 /nfs/dbraw/zinc/50/33/75/540503375.db2.gz SIZQSKKQTVOPQO-PWSUYJOCSA-N 2 1 298.346 2.396 20 0 CEADMP Fc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc(F)c1F ZINC000666855482 540510031 /nfs/dbraw/zinc/51/00/31/540510031.db2.gz UWQZCBIPASLZEN-SNVBAGLBSA-N 2 1 258.287 2.336 20 0 CEADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000672901946 540644755 /nfs/dbraw/zinc/64/47/55/540644755.db2.gz FYGQEUKTOVJCEH-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@H+]1CCC[C@H]2CN(Cc3cnc4ccccn34)CC[C@@H]21 ZINC000139938120 366558821 /nfs/dbraw/zinc/55/88/21/366558821.db2.gz WIXTTZZPHONEQY-HOCLYGCPSA-N 2 1 284.407 2.250 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](O)c1cccc(F)c1 ZINC000297822590 200286440 /nfs/dbraw/zinc/28/64/40/200286440.db2.gz YZZOMBDQAXDLQS-PXAZEXFGSA-N 2 1 292.398 2.464 20 0 CEADMP CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339074450 366642858 /nfs/dbraw/zinc/64/28/58/366642858.db2.gz LPFUIDNTMJCCFB-ZIAGYGMSSA-N 2 1 282.428 2.325 20 0 CEADMP c1nc2ccccc2n1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339074935 366642906 /nfs/dbraw/zinc/64/29/06/366642906.db2.gz NCWOQEBSRHCJDI-GJZGRUSLSA-N 2 1 284.407 2.253 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579673439 366679343 /nfs/dbraw/zinc/67/93/43/366679343.db2.gz DIJGVJFOPDEMES-BARDWOONSA-N 2 1 254.418 2.264 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H](CC)[C@@H](O)C(F)(F)F)CC1 ZINC000341882490 216137589 /nfs/dbraw/zinc/13/75/89/216137589.db2.gz TVDBYDJTQORMHR-VXGBXAGGSA-N 2 1 282.350 2.152 20 0 CEADMP CCOC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000674876277 540791529 /nfs/dbraw/zinc/79/15/29/540791529.db2.gz NDTLUNZBBKYDJT-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP C[C@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000179243241 189179744 /nfs/dbraw/zinc/17/97/44/189179744.db2.gz KXRRAMCUGXVZAZ-QGZVFWFLSA-N 2 1 289.467 2.359 20 0 CEADMP Cc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000675497625 540847404 /nfs/dbraw/zinc/84/74/04/540847404.db2.gz FZDVPAZLTAUJDN-UHFFFAOYSA-N 2 1 268.364 2.107 20 0 CEADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000675817580 540875876 /nfs/dbraw/zinc/87/58/76/540875876.db2.gz TVCVIJUZMXIACC-NFAWXSAZSA-N 2 1 262.397 2.396 20 0 CEADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000675817580 540875879 /nfs/dbraw/zinc/87/58/79/540875879.db2.gz TVCVIJUZMXIACC-NFAWXSAZSA-N 2 1 262.397 2.396 20 0 CEADMP c1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000675750218 540871111 /nfs/dbraw/zinc/87/11/11/540871111.db2.gz WMCSWHQIDPOLBY-JQHSSLGASA-N 2 1 285.435 2.482 20 0 CEADMP c1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000675750218 540871114 /nfs/dbraw/zinc/87/11/14/540871114.db2.gz WMCSWHQIDPOLBY-JQHSSLGASA-N 2 1 285.435 2.482 20 0 CEADMP COC(=O)[C@@]12C[N@@H+](CC[C@H]3CCC[NH+]3C)C[C@@H]1CCCC2 ZINC000342184308 216249767 /nfs/dbraw/zinc/24/97/67/216249767.db2.gz ZGTDBDPSFBVONN-UXLLHSPISA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@]12C[NH+](CC[C@H]3CCC[N@@H+]3C)C[C@@H]1CCCC2 ZINC000342184308 216249770 /nfs/dbraw/zinc/24/97/70/216249770.db2.gz ZGTDBDPSFBVONN-UXLLHSPISA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@]12C[NH+](CC[C@H]3CCC[N@H+]3C)C[C@@H]1CCCC2 ZINC000342184308 216249773 /nfs/dbraw/zinc/24/97/73/216249773.db2.gz ZGTDBDPSFBVONN-UXLLHSPISA-N 2 1 294.439 2.136 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000179633677 189208869 /nfs/dbraw/zinc/20/88/69/189208869.db2.gz UFODPXCUUFFADS-HNNXBMFYSA-N 2 1 275.396 2.029 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000179633677 189208870 /nfs/dbraw/zinc/20/88/70/189208870.db2.gz UFODPXCUUFFADS-HNNXBMFYSA-N 2 1 275.396 2.029 20 0 CEADMP CC(C)[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675883167 540878538 /nfs/dbraw/zinc/87/85/38/540878538.db2.gz XEKOYTKYMBWRMS-HIFRSBDPSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCC1 ZINC000675880590 540878715 /nfs/dbraw/zinc/87/87/15/540878715.db2.gz GAZOCUJYTGHWMM-XJKSGUPXSA-N 2 1 266.429 2.408 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000675883219 540878780 /nfs/dbraw/zinc/87/87/80/540878780.db2.gz YJWJGUAUAHEETK-INIZCTEOSA-N 2 1 278.440 2.408 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccccc1C ZINC000571653444 299321479 /nfs/dbraw/zinc/32/14/79/299321479.db2.gz IJRHRACPPLHONX-HUUCEWRRSA-N 2 1 264.413 2.300 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccccc1C ZINC000571653444 299321482 /nfs/dbraw/zinc/32/14/82/299321482.db2.gz IJRHRACPPLHONX-HUUCEWRRSA-N 2 1 264.413 2.300 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1ccccc1C ZINC000571653444 299321484 /nfs/dbraw/zinc/32/14/84/299321484.db2.gz IJRHRACPPLHONX-HUUCEWRRSA-N 2 1 264.413 2.300 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1ccccc1C ZINC000571653444 299321486 /nfs/dbraw/zinc/32/14/86/299321486.db2.gz IJRHRACPPLHONX-HUUCEWRRSA-N 2 1 264.413 2.300 20 0 CEADMP O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2ccco2)C1 ZINC000180991983 189285485 /nfs/dbraw/zinc/28/54/85/189285485.db2.gz LANQWHPUQKFFAP-MRXNPFEDSA-N 2 1 286.375 2.136 20 0 CEADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccco2)C1 ZINC000180991983 189285487 /nfs/dbraw/zinc/28/54/87/189285487.db2.gz LANQWHPUQKFFAP-MRXNPFEDSA-N 2 1 286.375 2.136 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCCSC2)s1 ZINC000342293071 216295757 /nfs/dbraw/zinc/29/57/57/216295757.db2.gz ORLTVKXZDRRWCI-LLVKDONJSA-N 2 1 285.482 2.438 20 0 CEADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000339409021 366698565 /nfs/dbraw/zinc/69/85/65/366698565.db2.gz WBRMPMHNQPOBNI-SFHVURJKSA-N 2 1 289.467 2.153 20 0 CEADMP CCOC1CC(C[NH2+]CCCCn2cc[nH+]c2C)C1 ZINC000638675761 370678739 /nfs/dbraw/zinc/67/87/39/370678739.db2.gz ZWPYIYASLSJSKO-UHFFFAOYSA-N 2 1 265.401 2.376 20 0 CEADMP COc1ccccc1CCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000011888542 361367573 /nfs/dbraw/zinc/36/75/73/361367573.db2.gz IWBCTQHTHNGOHO-CQSZACIVSA-N 2 1 262.397 2.299 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000154273189 366765210 /nfs/dbraw/zinc/76/52/10/366765210.db2.gz QFCKFXVWBCDRRG-RTBURBONSA-N 2 1 298.430 2.483 20 0 CEADMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1C ZINC000154381115 366770048 /nfs/dbraw/zinc/77/00/48/366770048.db2.gz UJSDQCRVXCBXQW-HUUCEWRRSA-N 2 1 264.413 2.185 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000154537283 366777733 /nfs/dbraw/zinc/77/77/33/366777733.db2.gz IBJNAIXYLYLUDT-XHSDSOJGSA-N 2 1 297.487 2.378 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000581543920 366793039 /nfs/dbraw/zinc/79/30/39/366793039.db2.gz ZWTKBLUVBARJNP-DLBZAZTESA-N 2 1 282.472 2.495 20 0 CEADMP COC(C)(C)[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000340205313 366803094 /nfs/dbraw/zinc/80/30/94/366803094.db2.gz GVBSAQVPJYDZPF-QLFBSQMISA-N 2 1 286.460 2.279 20 0 CEADMP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000155351958 366816894 /nfs/dbraw/zinc/81/68/94/366816894.db2.gz XFGKMRPXUXAFIE-KBPBESRZSA-N 2 1 256.434 2.105 20 0 CEADMP c1ccc2c(c1)OC[C@H](C[NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)O2 ZINC000155816339 366822739 /nfs/dbraw/zinc/82/27/39/366822739.db2.gz CNINRUDVHWUTNI-ZNMIVQPWSA-N 2 1 288.391 2.043 20 0 CEADMP c1ccc2c(c1)OC[C@H](C[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)O2 ZINC000155816339 366822747 /nfs/dbraw/zinc/82/27/47/366822747.db2.gz CNINRUDVHWUTNI-ZNMIVQPWSA-N 2 1 288.391 2.043 20 0 CEADMP C[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000155947861 366824723 /nfs/dbraw/zinc/82/47/23/366824723.db2.gz NTLSILNSZMELGF-LVQVYYBASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000155947861 366824726 /nfs/dbraw/zinc/82/47/26/366824726.db2.gz NTLSILNSZMELGF-LVQVYYBASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000155947861 366824729 /nfs/dbraw/zinc/82/47/29/366824729.db2.gz NTLSILNSZMELGF-LVQVYYBASA-N 2 1 267.461 2.179 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000678640853 541162002 /nfs/dbraw/zinc/16/20/02/541162002.db2.gz UPJFQRQFLVYLQC-HOTGVXAUSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000678640853 541162005 /nfs/dbraw/zinc/16/20/05/541162005.db2.gz UPJFQRQFLVYLQC-HOTGVXAUSA-N 2 1 277.412 2.330 20 0 CEADMP C[N@H+]1CC[C@@H](NC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000678608706 541158524 /nfs/dbraw/zinc/15/85/24/541158524.db2.gz RMWXUNDKZVFMKJ-SJORKVTESA-N 2 1 273.424 2.116 20 0 CEADMP CCc1cc(NC2CC[NH+](CCCOC)CC2)nc(C)[nH+]1 ZINC000302060651 201324029 /nfs/dbraw/zinc/32/40/29/201324029.db2.gz STTMRAYCEFLFGV-UHFFFAOYSA-N 2 1 292.427 2.260 20 0 CEADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C3CSC3)C2)cc1 ZINC000679625132 541296368 /nfs/dbraw/zinc/29/63/68/541296368.db2.gz CTKYFRCUQHPQIA-HNNXBMFYSA-N 2 1 276.449 2.256 20 0 CEADMP CCOc1ccccc1OCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000088413662 363895762 /nfs/dbraw/zinc/89/57/62/363895762.db2.gz PNAOBVPCYWUMIA-UHFFFAOYSA-N 2 1 278.396 2.148 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000089147477 363936795 /nfs/dbraw/zinc/93/67/95/363936795.db2.gz ZFBRSOJUDRYSAO-SJLPKXTDSA-N 2 1 287.451 2.368 20 0 CEADMP Cc1ncsc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000088869983 363927132 /nfs/dbraw/zinc/92/71/32/363927132.db2.gz QHAWPFYLZBNXNV-LLVKDONJSA-N 2 1 253.415 2.273 20 0 CEADMP CN(Cc1ccc([S@](C)=O)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253896 364075028 /nfs/dbraw/zinc/07/50/28/364075028.db2.gz DQZFZVBVKNDPOW-FOIQADDNSA-N 2 1 294.464 2.198 20 0 CEADMP CCn1cncc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000090172607 364044336 /nfs/dbraw/zinc/04/43/36/364044336.db2.gz VXWRLYCICDDBCG-AWEZNQCLSA-N 2 1 264.417 2.115 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3sccc3C)C2)CC1 ZINC000093132933 364142407 /nfs/dbraw/zinc/14/24/07/364142407.db2.gz JBHAEDPOPWZAIK-HNNXBMFYSA-N 2 1 293.480 2.268 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC(C)(C)C)CC1 ZINC000093148276 364147267 /nfs/dbraw/zinc/14/72/67/364147267.db2.gz GYRBXXFXHGCMLO-OAHLLOKOSA-N 2 1 267.461 2.134 20 0 CEADMP Cc1ccc([C@@H](N)C(=O)N2CCC(c3c[nH]cn3)CC2)cc1 ZINC000334661322 364147408 /nfs/dbraw/zinc/14/74/08/364147408.db2.gz QZIOPKUORIWXFT-MRXNPFEDSA-N 2 1 298.390 2.124 20 0 CEADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000334661322 364147415 /nfs/dbraw/zinc/14/74/15/364147415.db2.gz QZIOPKUORIWXFT-MRXNPFEDSA-N 2 1 298.390 2.124 20 0 CEADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000356430343 370708150 /nfs/dbraw/zinc/70/81/50/370708150.db2.gz FZFVVYLOEDLUCL-UHFFFAOYSA-N 2 1 277.412 2.337 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000638726108 370713290 /nfs/dbraw/zinc/71/32/90/370713290.db2.gz OBGZITDKYJQFCI-HIFRSBDPSA-N 2 1 286.485 2.359 20 0 CEADMP COCC1(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)CCC1 ZINC000638727072 370714561 /nfs/dbraw/zinc/71/45/61/370714561.db2.gz AIPWAFLUVCVIST-UHFFFAOYSA-N 2 1 298.471 2.282 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCOCC12CCCCC2 ZINC000334690802 364187219 /nfs/dbraw/zinc/18/72/19/364187219.db2.gz SUYZUGBXPRZOBL-UHFFFAOYSA-N 2 1 263.385 2.227 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCOCC12CCCCC2 ZINC000334690802 364187224 /nfs/dbraw/zinc/18/72/24/364187224.db2.gz SUYZUGBXPRZOBL-UHFFFAOYSA-N 2 1 263.385 2.227 20 0 CEADMP Cc1ccn2c(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cnc2c1 ZINC000334692965 364190221 /nfs/dbraw/zinc/19/02/21/364190221.db2.gz JKYSUUVSSRRMHL-ZIAGYGMSSA-N 2 1 272.396 2.202 20 0 CEADMP Cc1ccn2c(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cnc2c1 ZINC000334692965 364190225 /nfs/dbraw/zinc/19/02/25/364190225.db2.gz JKYSUUVSSRRMHL-ZIAGYGMSSA-N 2 1 272.396 2.202 20 0 CEADMP C[NH+](C)[C@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000638818924 370773337 /nfs/dbraw/zinc/77/33/37/370773337.db2.gz FXXMYRXTVOLKDJ-CVEARBPZSA-N 2 1 289.423 2.019 20 0 CEADMP C[NH+](C)[C@@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000638818926 370773381 /nfs/dbraw/zinc/77/33/81/370773381.db2.gz FXXMYRXTVOLKDJ-HZPDHXFCSA-N 2 1 289.423 2.019 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000094371268 364272023 /nfs/dbraw/zinc/27/20/23/364272023.db2.gz DWIIZLJNNTUSOH-HUUCEWRRSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)cn2c1 ZINC000335035315 364383057 /nfs/dbraw/zinc/38/30/57/364383057.db2.gz UVWPYGLGMFRYBK-HIFRSBDPSA-N 2 1 272.396 2.120 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOC(C)(C)C)CC[C@H]21 ZINC000158627112 366858518 /nfs/dbraw/zinc/85/85/18/366858518.db2.gz WNIUIXDWLJBWHH-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOC(C)(C)C)CC[C@H]21 ZINC000158627112 366858520 /nfs/dbraw/zinc/85/85/20/366858520.db2.gz WNIUIXDWLJBWHH-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868262 364708026 /nfs/dbraw/zinc/70/80/26/364708026.db2.gz CGLMQXMJVCODMU-DLBZAZTESA-N 2 1 287.407 2.361 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@H]3CCN(C)[C@H](C)C3)n2c1 ZINC000335716178 364875844 /nfs/dbraw/zinc/87/58/44/364875844.db2.gz DFHZRJMMMGZZSB-KGLIPLIRSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@@H]3CCN(C)[C@H](C)C3)n2c1 ZINC000335716180 364876035 /nfs/dbraw/zinc/87/60/35/364876035.db2.gz DFHZRJMMMGZZSB-ZIAGYGMSSA-N 2 1 272.396 2.215 20 0 CEADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000114455297 364945248 /nfs/dbraw/zinc/94/52/48/364945248.db2.gz UJOIWXWSZQPAGJ-UHFFFAOYSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114455199 364945875 /nfs/dbraw/zinc/94/58/75/364945875.db2.gz FCRQQVKCQXDFAE-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000572181386 299351484 /nfs/dbraw/zinc/35/14/84/299351484.db2.gz AUGXMDWYYRHOCM-JONQDZQNSA-N 2 1 266.429 2.002 20 0 CEADMP C[C@H]([NH2+]CC1(CN(C)C)CCCC1)C1CC[NH+](C)CC1 ZINC000680635834 541439487 /nfs/dbraw/zinc/43/94/87/541439487.db2.gz LSWRCEUEVGKYSA-HNNXBMFYSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)C1CC[NH+](C)CC1 ZINC000680635838 541439505 /nfs/dbraw/zinc/43/95/05/541439505.db2.gz LSWRCEUEVGKYSA-OAHLLOKOSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000335937512 365184236 /nfs/dbraw/zinc/18/42/36/365184236.db2.gz FQFYJPJIMCUXNU-GJZGRUSLSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000356812693 370797555 /nfs/dbraw/zinc/79/75/55/370797555.db2.gz KAYZNALLIKVCAS-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP CCc1[nH+]ccn1[C@H]1CCCN(CC[NH+](CC)CC)C1 ZINC000119932502 365347331 /nfs/dbraw/zinc/34/73/31/365347331.db2.gz TZGQIHDVCQMEPE-HNNXBMFYSA-N 2 1 278.444 2.424 20 0 CEADMP CCCCC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000158992479 366867734 /nfs/dbraw/zinc/86/77/34/366867734.db2.gz ORMNIYLIRBGTAK-MRXNPFEDSA-N 2 1 267.461 2.279 20 0 CEADMP CCCCC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000158992479 366867737 /nfs/dbraw/zinc/86/77/37/366867737.db2.gz ORMNIYLIRBGTAK-MRXNPFEDSA-N 2 1 267.461 2.279 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000120191016 365387445 /nfs/dbraw/zinc/38/74/45/365387445.db2.gz MILNOMSTHVDATP-IIYDPXPESA-N 2 1 289.423 2.463 20 0 CEADMP COc1ccc([C@H](CCO)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000120259726 365396855 /nfs/dbraw/zinc/39/68/55/365396855.db2.gz HOQITSGKVPDXMY-UNEWFSDZSA-N 2 1 292.423 2.191 20 0 CEADMP COc1ccc([C@H](CCO)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000120259726 365396865 /nfs/dbraw/zinc/39/68/65/365396865.db2.gz HOQITSGKVPDXMY-UNEWFSDZSA-N 2 1 292.423 2.191 20 0 CEADMP COc1ccc([C@H](CCO)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000120259726 365396868 /nfs/dbraw/zinc/39/68/68/365396868.db2.gz HOQITSGKVPDXMY-UNEWFSDZSA-N 2 1 292.423 2.191 20 0 CEADMP COc1ccc([C@H](CCO)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000120260165 365397626 /nfs/dbraw/zinc/39/76/26/365397626.db2.gz HOQITSGKVPDXMY-QRTARXTBSA-N 2 1 292.423 2.191 20 0 CEADMP COc1ccc([C@H](CCO)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000120260165 365397635 /nfs/dbraw/zinc/39/76/35/365397635.db2.gz HOQITSGKVPDXMY-QRTARXTBSA-N 2 1 292.423 2.191 20 0 CEADMP COc1ccc([C@H](CCO)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000120260165 365397641 /nfs/dbraw/zinc/39/76/41/365397641.db2.gz HOQITSGKVPDXMY-QRTARXTBSA-N 2 1 292.423 2.191 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000336117892 365433192 /nfs/dbraw/zinc/43/31/92/365433192.db2.gz LTHACESPZLCMNM-NEPJUHHUSA-N 2 1 255.312 2.169 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000336117892 365433196 /nfs/dbraw/zinc/43/31/96/365433196.db2.gz LTHACESPZLCMNM-NEPJUHHUSA-N 2 1 255.312 2.169 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)n1 ZINC000336124935 365444158 /nfs/dbraw/zinc/44/41/58/365444158.db2.gz LSRFQLCPRMVRCA-MRXNPFEDSA-N 2 1 259.397 2.226 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)n1 ZINC000336124935 365444160 /nfs/dbraw/zinc/44/41/60/365444160.db2.gz LSRFQLCPRMVRCA-MRXNPFEDSA-N 2 1 259.397 2.226 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)n1 ZINC000336124935 365444168 /nfs/dbraw/zinc/44/41/68/365444168.db2.gz LSRFQLCPRMVRCA-MRXNPFEDSA-N 2 1 259.397 2.226 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)n1 ZINC000336124935 365444175 /nfs/dbraw/zinc/44/41/75/365444175.db2.gz LSRFQLCPRMVRCA-MRXNPFEDSA-N 2 1 259.397 2.226 20 0 CEADMP Cc1cnccc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000120884663 365488612 /nfs/dbraw/zinc/48/86/12/365488612.db2.gz VMXAMMOTHKELDQ-OLZOCXBDSA-N 2 1 276.384 2.336 20 0 CEADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C[N@@H+](C)C(C)C ZINC000340553193 366931781 /nfs/dbraw/zinc/93/17/81/366931781.db2.gz GXMRMXOUBQSTRS-UHFFFAOYSA-N 2 1 285.476 2.153 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@]1(C)CCCc2ccccc21 ZINC000582853457 366969067 /nfs/dbraw/zinc/96/90/67/366969067.db2.gz FJNUMGFOBMJLPD-DOTOQJQBSA-N 2 1 276.424 2.140 20 0 CEADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000582912737 366976544 /nfs/dbraw/zinc/97/65/44/366976544.db2.gz GUQUFDFCOIDPCH-QLFBSQMISA-N 2 1 256.434 2.248 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)C1CC1 ZINC000583257872 367022125 /nfs/dbraw/zinc/02/21/25/367022125.db2.gz CNCDVVHDELHOCN-FRFSOERESA-N 2 1 292.398 2.116 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)C1CC1 ZINC000583257872 367022128 /nfs/dbraw/zinc/02/21/28/367022128.db2.gz CNCDVVHDELHOCN-FRFSOERESA-N 2 1 292.398 2.116 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000340715678 367000340 /nfs/dbraw/zinc/00/03/40/367000340.db2.gz XIJUTGBITUWFKX-ZMSDIMECSA-N 2 1 295.471 2.003 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H]1CCCC[C@@H]1C ZINC000584060785 367136487 /nfs/dbraw/zinc/13/64/87/367136487.db2.gz BCFSGRSHWNATOK-KKUMJFAQSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H]1CCCC[C@@H]1C ZINC000584060785 367136493 /nfs/dbraw/zinc/13/64/93/367136493.db2.gz BCFSGRSHWNATOK-KKUMJFAQSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@H]1CCCC[C@@H]1C ZINC000584060785 367136497 /nfs/dbraw/zinc/13/64/97/367136497.db2.gz BCFSGRSHWNATOK-KKUMJFAQSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@H]1CCCC[C@@H]1C ZINC000584060785 367136503 /nfs/dbraw/zinc/13/65/03/367136503.db2.gz BCFSGRSHWNATOK-KKUMJFAQSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162285269 367149784 /nfs/dbraw/zinc/14/97/84/367149784.db2.gz MBALQIVLDRVSGF-NSHDSACASA-N 2 1 262.401 2.450 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000245691955 370858631 /nfs/dbraw/zinc/85/86/31/370858631.db2.gz BMYGNXIQXWNAOC-IAGOWNOFSA-N 2 1 277.456 2.055 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000162963553 367207289 /nfs/dbraw/zinc/20/72/89/367207289.db2.gz WYILQOHCILTOBZ-WFASDCNBSA-N 2 1 250.361 2.298 20 0 CEADMP Cn1nccc1C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000163091201 367217705 /nfs/dbraw/zinc/21/77/05/367217705.db2.gz FHUJGJKULUPZPK-UHFFFAOYSA-N 2 1 276.428 2.085 20 0 CEADMP CCC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C)[NH+](C)C ZINC000164179259 367279054 /nfs/dbraw/zinc/27/90/54/367279054.db2.gz SZGDHPAFILCCDN-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@H]1C[C@@H](NC2CC[NH+](C3CCCC3)CC2)CC[N@H+]1C ZINC000166400078 367322336 /nfs/dbraw/zinc/32/23/36/367322336.db2.gz XYGLASRLLCINBT-HOCLYGCPSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000342043461 367383625 /nfs/dbraw/zinc/38/36/25/367383625.db2.gz GTJHORSIAHYDFP-ILXRZTDVSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCC2(C)C)CCCO1 ZINC000342574546 367429059 /nfs/dbraw/zinc/42/90/59/367429059.db2.gz IKEWFLMDXMBOMY-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCC2(C)C)CCCO1 ZINC000342574546 367429060 /nfs/dbraw/zinc/42/90/60/367429060.db2.gz IKEWFLMDXMBOMY-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCC[NH+](C(C)C)C(C)C)C1 ZINC000342865338 367577522 /nfs/dbraw/zinc/57/75/22/367577522.db2.gz FJCHFTMRGWHVQP-LSDHHAIUSA-N 2 1 255.450 2.035 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1Cl ZINC000631837448 367577549 /nfs/dbraw/zinc/57/75/49/367577549.db2.gz SGLNNWGVCOYPPR-ZYHUDNBSSA-N 2 1 268.788 2.375 20 0 CEADMP COc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1Cl ZINC000631837448 367577551 /nfs/dbraw/zinc/57/75/51/367577551.db2.gz SGLNNWGVCOYPPR-ZYHUDNBSSA-N 2 1 268.788 2.375 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000631841916 367582704 /nfs/dbraw/zinc/58/27/04/367582704.db2.gz RQKKXOAHVCSUQG-VXGBXAGGSA-N 2 1 295.814 2.195 20 0 CEADMP COc1ccccc1CCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631866948 367601398 /nfs/dbraw/zinc/60/13/98/367601398.db2.gz DTIWPCAUJAEDBI-WBVHZDCISA-N 2 1 274.408 2.360 20 0 CEADMP [NH3+]C1(CNCC2(F)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000572493268 299373549 /nfs/dbraw/zinc/37/35/49/299373549.db2.gz FUUYMXWQNDOFEQ-UHFFFAOYSA-N 2 1 291.414 2.072 20 0 CEADMP C[N@@H+](Cc1ccc2[nH]cnc2c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681914563 541609354 /nfs/dbraw/zinc/60/93/54/541609354.db2.gz ILMNCANMNPVKNI-AWEZNQCLSA-N 2 1 295.390 2.454 20 0 CEADMP C[N@H+](Cc1ccc2[nH]cnc2c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681914563 541609357 /nfs/dbraw/zinc/60/93/57/541609357.db2.gz ILMNCANMNPVKNI-AWEZNQCLSA-N 2 1 295.390 2.454 20 0 CEADMP C[N@@H+](Cc1ccc2nc[nH]c2c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681914563 541609359 /nfs/dbraw/zinc/60/93/59/541609359.db2.gz ILMNCANMNPVKNI-AWEZNQCLSA-N 2 1 295.390 2.454 20 0 CEADMP C[N@H+](Cc1ccc2nc[nH]c2c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681914563 541609363 /nfs/dbraw/zinc/60/93/63/541609363.db2.gz ILMNCANMNPVKNI-AWEZNQCLSA-N 2 1 295.390 2.454 20 0 CEADMP CC(C)[C@H](CN[C@H]1C[N@@H+](C)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000343268879 367735908 /nfs/dbraw/zinc/73/59/08/367735908.db2.gz HBJQTRGEXNQMAK-ULQDDVLXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+]1C[C@H](NC[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000343275320 367739588 /nfs/dbraw/zinc/73/95/88/367739588.db2.gz TUVZERPAYCUNIE-JYJNAYRXSA-N 2 1 267.461 2.037 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000343556152 367881866 /nfs/dbraw/zinc/88/18/66/367881866.db2.gz BGOWVKXTOCPCLH-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP COCCOc1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000345176672 368181425 /nfs/dbraw/zinc/18/14/25/368181425.db2.gz QKLCVRHVOLEUHM-UHFFFAOYSA-N 2 1 290.407 2.063 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(CO)c1 ZINC000345189732 368187273 /nfs/dbraw/zinc/18/72/73/368187273.db2.gz SFFONQLMDSMTJE-DVOMOZLQSA-N 2 1 262.397 2.312 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(CO)c1 ZINC000345189732 368187277 /nfs/dbraw/zinc/18/72/77/368187277.db2.gz SFFONQLMDSMTJE-DVOMOZLQSA-N 2 1 262.397 2.312 20 0 CEADMP C[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CCC[N@@H+]1C ZINC000345323903 368236148 /nfs/dbraw/zinc/23/61/48/368236148.db2.gz PYSIPKJZNSDSJW-YPMHNXCESA-N 2 1 295.452 2.022 20 0 CEADMP C[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CCC[N@H+]1C ZINC000345323903 368236153 /nfs/dbraw/zinc/23/61/53/368236153.db2.gz PYSIPKJZNSDSJW-YPMHNXCESA-N 2 1 295.452 2.022 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@]1(C)CCCO ZINC000345971331 368503164 /nfs/dbraw/zinc/50/31/64/368503164.db2.gz ZOORVJPYSQLWMG-HNNXBMFYSA-N 2 1 265.401 2.209 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@]1(C)CCCO ZINC000345971331 368503169 /nfs/dbraw/zinc/50/31/69/368503169.db2.gz ZOORVJPYSQLWMG-HNNXBMFYSA-N 2 1 265.401 2.209 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccnn1C ZINC000682643532 541691979 /nfs/dbraw/zinc/69/19/79/541691979.db2.gz PKKXEOLWPHNHPP-KFWWJZLASA-N 2 1 278.444 2.232 20 0 CEADMP OCC1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000182426625 368562119 /nfs/dbraw/zinc/56/21/19/368562119.db2.gz RZMQNNDUQXPPJT-UHFFFAOYSA-N 2 1 288.435 2.198 20 0 CEADMP CN(Cc1ccccc1)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000682702681 541702072 /nfs/dbraw/zinc/70/20/72/541702072.db2.gz DDLLOEGLCHXTKE-SFHVURJKSA-N 2 1 287.451 2.192 20 0 CEADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)OC)CC1 ZINC000182735464 368584399 /nfs/dbraw/zinc/58/43/99/368584399.db2.gz FUPQGNJCWSAFIE-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCCn2ccnc2)CC1 ZINC000182816703 368594334 /nfs/dbraw/zinc/59/43/34/368594334.db2.gz IDUYIHAXCVXYJX-UHFFFAOYSA-N 2 1 264.417 2.079 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212220 368594302 /nfs/dbraw/zinc/59/43/02/368594302.db2.gz PZIITIPDBPALAW-KGLIPLIRSA-N 2 1 290.411 2.221 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212220 368594306 /nfs/dbraw/zinc/59/43/06/368594306.db2.gz PZIITIPDBPALAW-KGLIPLIRSA-N 2 1 290.411 2.221 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212220 368594310 /nfs/dbraw/zinc/59/43/10/368594310.db2.gz PZIITIPDBPALAW-KGLIPLIRSA-N 2 1 290.411 2.221 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212220 368594316 /nfs/dbraw/zinc/59/43/16/368594316.db2.gz PZIITIPDBPALAW-KGLIPLIRSA-N 2 1 290.411 2.221 20 0 CEADMP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000346237354 368602989 /nfs/dbraw/zinc/60/29/89/368602989.db2.gz MFJGSQKXQPZCBP-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000346237363 368603336 /nfs/dbraw/zinc/60/33/36/368603336.db2.gz MFJGSQKXQPZCBP-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1[nH+]ccn1CCN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000346309494 368630954 /nfs/dbraw/zinc/63/09/54/368630954.db2.gz MEXFWHVIOJBZPU-UHFFFAOYSA-N 2 1 290.455 2.388 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)C1 ZINC000183713597 368644198 /nfs/dbraw/zinc/64/41/98/368644198.db2.gz NKLRSEJIEIRAOZ-UONOGXRCSA-N 2 1 284.444 2.428 20 0 CEADMP CC1(C)CC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000346437544 368674221 /nfs/dbraw/zinc/67/42/21/368674221.db2.gz GGLVTRFRTVQMJE-CYBMUJFWSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000639049373 370927180 /nfs/dbraw/zinc/92/71/80/370927180.db2.gz PIVVKJDVAUDUIP-INIZCTEOSA-N 2 1 264.413 2.066 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000639049373 370927186 /nfs/dbraw/zinc/92/71/86/370927186.db2.gz PIVVKJDVAUDUIP-INIZCTEOSA-N 2 1 264.413 2.066 20 0 CEADMP CC(C)c1ncc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000346680908 368767613 /nfs/dbraw/zinc/76/76/13/368767613.db2.gz NLIYLWQXBSGCFW-GHMZBOCLSA-N 2 1 253.415 2.436 20 0 CEADMP CC(C)c1ncc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000346680908 368767616 /nfs/dbraw/zinc/76/76/16/368767616.db2.gz NLIYLWQXBSGCFW-GHMZBOCLSA-N 2 1 253.415 2.436 20 0 CEADMP Cc1[nH]nc2ncc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc12 ZINC000346687078 368770554 /nfs/dbraw/zinc/77/05/54/368770554.db2.gz VFJZZQIRQXSACS-AWEZNQCLSA-N 2 1 275.400 2.072 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc12 ZINC000346687078 368770557 /nfs/dbraw/zinc/77/05/57/368770557.db2.gz VFJZZQIRQXSACS-AWEZNQCLSA-N 2 1 275.400 2.072 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000346655451 368753999 /nfs/dbraw/zinc/75/39/99/368753999.db2.gz RVCOPFMLGWSZHQ-DZGCQCFKSA-N 2 1 270.380 2.041 20 0 CEADMP CC(C)c1ncc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)s1 ZINC000346657933 368756201 /nfs/dbraw/zinc/75/62/01/368756201.db2.gz HIVNMFKMQFZXTN-WDEREUQCSA-N 2 1 253.415 2.436 20 0 CEADMP CC(C)c1ncc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)s1 ZINC000346657933 368756205 /nfs/dbraw/zinc/75/62/05/368756205.db2.gz HIVNMFKMQFZXTN-WDEREUQCSA-N 2 1 253.415 2.436 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCOC(C)(C)C2)CCCO1 ZINC000634683700 368812886 /nfs/dbraw/zinc/81/28/86/368812886.db2.gz XZFLMOHISFNQPH-HUUCEWRRSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@H]1CC[C@H](C[N@@H+](CCC[NH3+])CC2CCCC2)O1 ZINC000634687984 368815311 /nfs/dbraw/zinc/81/53/11/368815311.db2.gz FBPQLPRLEZEJSM-DZGCQCFKSA-N 2 1 254.418 2.395 20 0 CEADMP CC(C)n1nccc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733527 368845639 /nfs/dbraw/zinc/84/56/39/368845639.db2.gz HKVUTEFCXBDTEP-ZDUSSCGKSA-N 2 1 264.417 2.332 20 0 CEADMP COCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665260 368839183 /nfs/dbraw/zinc/83/91/83/368839183.db2.gz HLXQQYWRAYMXRA-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000346694517 368777316 /nfs/dbraw/zinc/77/73/16/368777316.db2.gz UQOGCYTWPOHZDO-YPMHNXCESA-N 2 1 284.350 2.500 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000346694439 368777602 /nfs/dbraw/zinc/77/76/02/368777602.db2.gz UMFJKQPVUWGXQE-NEPJUHHUSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000346694439 368777608 /nfs/dbraw/zinc/77/76/08/368777608.db2.gz UMFJKQPVUWGXQE-NEPJUHHUSA-N 2 1 288.420 2.374 20 0 CEADMP CC1(C)C[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634644441 368792640 /nfs/dbraw/zinc/79/26/40/368792640.db2.gz VJICLWLBBLCJNH-RDJZCZTQSA-N 2 1 274.408 2.012 20 0 CEADMP CC1(C)C[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634644441 368792647 /nfs/dbraw/zinc/79/26/47/368792647.db2.gz VJICLWLBBLCJNH-RDJZCZTQSA-N 2 1 274.408 2.012 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc[nH+]c1C1CC1 ZINC000634650269 368797199 /nfs/dbraw/zinc/79/71/99/368797199.db2.gz HJWPTOGLPDZLGQ-INIZCTEOSA-N 2 1 285.391 2.253 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc[nH+]c1C1CC1 ZINC000634650269 368797202 /nfs/dbraw/zinc/79/72/02/368797202.db2.gz HJWPTOGLPDZLGQ-INIZCTEOSA-N 2 1 285.391 2.253 20 0 CEADMP CCCCNC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185756781 368855134 /nfs/dbraw/zinc/85/51/34/368855134.db2.gz XZRVRSATHNCECA-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP CCCCNC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185756781 368855141 /nfs/dbraw/zinc/85/51/41/368855141.db2.gz XZRVRSATHNCECA-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634756947 368865281 /nfs/dbraw/zinc/86/52/81/368865281.db2.gz IATAURJGDDTJQY-CYBMUJFWSA-N 2 1 287.354 2.328 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634756947 368865283 /nfs/dbraw/zinc/86/52/83/368865283.db2.gz IATAURJGDDTJQY-CYBMUJFWSA-N 2 1 287.354 2.328 20 0 CEADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CCCCn1ccnc1C ZINC000348036967 368867647 /nfs/dbraw/zinc/86/76/47/368867647.db2.gz AZCPMCNPQZPQJH-DZGCQCFKSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CCCCn1cc[nH+]c1C ZINC000348036967 368867652 /nfs/dbraw/zinc/86/76/52/368867652.db2.gz AZCPMCNPQZPQJH-DZGCQCFKSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)C(F)F)cc1 ZINC000348071869 368885151 /nfs/dbraw/zinc/88/51/51/368885151.db2.gz JFMJVVGDCJUWCS-YGRLFVJLSA-N 2 1 295.333 2.457 20 0 CEADMP CCOC(=O)CC(C)(C)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000348077095 368886866 /nfs/dbraw/zinc/88/68/66/368886866.db2.gz QQBDYEYIFDXHOJ-CYBMUJFWSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CC(C)(C)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000348077095 368886875 /nfs/dbraw/zinc/88/68/75/368886875.db2.gz QQBDYEYIFDXHOJ-CYBMUJFWSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CC(C)(C)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000348077095 368886878 /nfs/dbraw/zinc/88/68/78/368886878.db2.gz QQBDYEYIFDXHOJ-CYBMUJFWSA-N 2 1 270.417 2.134 20 0 CEADMP CC[C@@H]1CC[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000348108988 368902170 /nfs/dbraw/zinc/90/21/70/368902170.db2.gz XZIIVJOGDADNQM-HZPDHXFCSA-N 2 1 267.461 2.038 20 0 CEADMP CC[C@H](C)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185718136 368848391 /nfs/dbraw/zinc/84/83/91/368848391.db2.gz LEZMLJROFJDGMH-RRFJBIMHSA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@H](C)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718136 368848394 /nfs/dbraw/zinc/84/83/94/368848394.db2.gz LEZMLJROFJDGMH-RRFJBIMHSA-N 2 1 295.471 2.144 20 0 CEADMP Cc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C2CC2)cc1 ZINC000348259625 368972803 /nfs/dbraw/zinc/97/28/03/368972803.db2.gz GWVAXZODEAKBGX-SJORKVTESA-N 2 1 274.408 2.102 20 0 CEADMP Cc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C2CC2)cc1 ZINC000348259625 368972805 /nfs/dbraw/zinc/97/28/05/368972805.db2.gz GWVAXZODEAKBGX-SJORKVTESA-N 2 1 274.408 2.102 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncn1C ZINC000348362954 369017545 /nfs/dbraw/zinc/01/75/45/369017545.db2.gz DFTFXBQTGGVFJF-HOCLYGCPSA-N 2 1 278.444 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000634998535 369029960 /nfs/dbraw/zinc/02/99/60/369029960.db2.gz HAGGAOAETUUTTR-TZMCWYRMSA-N 2 1 270.380 2.103 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@H]1C[NH3+] ZINC000634999695 369035877 /nfs/dbraw/zinc/03/58/77/369035877.db2.gz XYPGGZNCZJQMAX-UKRRQHHQSA-N 2 1 298.390 2.296 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635011209 369048728 /nfs/dbraw/zinc/04/87/28/369048728.db2.gz PMNSMWSBBHXQAF-ZDUSSCGKSA-N 2 1 284.407 2.400 20 0 CEADMP [NH3+][C@H](CCN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000635004366 369040126 /nfs/dbraw/zinc/04/01/26/369040126.db2.gz DVMUPCBCCYDQJG-SQNIBIBYSA-N 2 1 287.451 2.163 20 0 CEADMP [NH3+][C@H](CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000635004366 369040131 /nfs/dbraw/zinc/04/01/31/369040131.db2.gz DVMUPCBCCYDQJG-SQNIBIBYSA-N 3 1 287.451 2.163 20 0 CEADMP [NH3+][C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000635004366 369040134 /nfs/dbraw/zinc/04/01/34/369040134.db2.gz DVMUPCBCCYDQJG-SQNIBIBYSA-N 3 1 287.451 2.163 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635008256 369043743 /nfs/dbraw/zinc/04/37/43/369043743.db2.gz RGWWBUIKUJCHFU-BBWFWOEESA-N 3 1 275.440 2.054 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635008663 369045017 /nfs/dbraw/zinc/04/50/17/369045017.db2.gz GHQAZSWHICNESQ-DLBZAZTESA-N 3 1 273.424 2.082 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCSCC1 ZINC000187187585 369118276 /nfs/dbraw/zinc/11/82/76/369118276.db2.gz SNVNVVNMZOKZDE-OLZOCXBDSA-N 2 1 256.459 2.450 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000348754928 369142959 /nfs/dbraw/zinc/14/29/59/369142959.db2.gz DLVOXVMKQFASNS-HNNXBMFYSA-N 2 1 250.361 2.429 20 0 CEADMP C[NH+](C)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC000635549160 369213765 /nfs/dbraw/zinc/21/37/65/369213765.db2.gz CNHAJWZZYSUZTQ-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1occc1C ZINC000349075144 369236133 /nfs/dbraw/zinc/23/61/33/369236133.db2.gz NZNIUKYXEWPGPE-INIZCTEOSA-N 2 1 293.455 2.436 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CC[C@@H]3CCOC3)C2)CC1 ZINC000349128876 369247462 /nfs/dbraw/zinc/24/74/62/369247462.db2.gz LJFUHNQALLWVJQ-GDBMZVCRSA-N 2 1 266.429 2.077 20 0 CEADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635651871 369269064 /nfs/dbraw/zinc/26/90/64/369269064.db2.gz LZJUSOVIMRHWNI-OAHLLOKOSA-N 2 1 289.423 2.337 20 0 CEADMP CC(C)CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000683111396 541762582 /nfs/dbraw/zinc/76/25/82/541762582.db2.gz WQJPCWBCGGHWKV-OAHLLOKOSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1c[nH+]ccc1N ZINC000188079047 369292241 /nfs/dbraw/zinc/29/22/41/369292241.db2.gz HHHIJCNMAABWCC-ZDUSSCGKSA-N 2 1 290.411 2.048 20 0 CEADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccn(C)n1 ZINC000349465284 369334807 /nfs/dbraw/zinc/33/48/07/369334807.db2.gz VMKOEPNCZIISOF-JSGCOSHPSA-N 2 1 275.400 2.302 20 0 CEADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635746207 369319677 /nfs/dbraw/zinc/31/96/77/369319677.db2.gz CGDRMTVMJVTBPI-CQSZACIVSA-N 2 1 297.487 2.153 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1nccs1 ZINC000349835508 369417250 /nfs/dbraw/zinc/41/72/50/369417250.db2.gz PZGXPRCFSKGGTE-WOPDTQHZSA-N 2 1 253.415 2.176 20 0 CEADMP O[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000188839257 369417839 /nfs/dbraw/zinc/41/78/39/369417839.db2.gz XCLRBOYEOLQTAD-AEFFLSMTSA-N 2 1 288.435 2.402 20 0 CEADMP C[NH+](C)CCCC(C)(C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635992060 369445943 /nfs/dbraw/zinc/44/59/43/369445943.db2.gz SZXXYNGTLHGBQN-UHFFFAOYSA-N 2 1 285.476 2.201 20 0 CEADMP C[C@H](O)[C@@](C)(C[NH2+]C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000188900705 369426221 /nfs/dbraw/zinc/42/62/21/369426221.db2.gz ATRYWYDGRCFFLY-MAUKXSAKSA-N 2 1 290.451 2.300 20 0 CEADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCN2C2CCCC2)c2nccn21 ZINC000635995065 369448650 /nfs/dbraw/zinc/44/86/50/369448650.db2.gz LFJNMWDBHAOGCQ-KWCYVHTRSA-N 2 1 288.395 2.022 20 0 CEADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CCC2)CC1)CC(C)(C)C ZINC000636000511 369451778 /nfs/dbraw/zinc/45/17/78/369451778.db2.gz KGSWHJPPENTTHB-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000246373330 370951973 /nfs/dbraw/zinc/95/19/73/370951973.db2.gz JLRGRCRMESQVGT-YJNKXOJESA-N 2 1 270.461 2.348 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(C)s1 ZINC000358250053 370971215 /nfs/dbraw/zinc/97/12/15/370971215.db2.gz KWTRNPMLZBXCBM-BXUZGUMPSA-N 2 1 268.426 2.082 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(C)s1 ZINC000358250053 370971221 /nfs/dbraw/zinc/97/12/21/370971221.db2.gz KWTRNPMLZBXCBM-BXUZGUMPSA-N 2 1 268.426 2.082 20 0 CEADMP CCOC(=O)[C@H](CC)[N@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000276210346 193245020 /nfs/dbraw/zinc/24/50/20/193245020.db2.gz HQHVZIHPXXAJKD-HNNXBMFYSA-N 2 1 293.411 2.388 20 0 CEADMP CCOC(=O)[C@H](CC)[N@@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000276210346 193245022 /nfs/dbraw/zinc/24/50/22/193245022.db2.gz HQHVZIHPXXAJKD-HNNXBMFYSA-N 2 1 293.411 2.388 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)OC ZINC000639105680 370983260 /nfs/dbraw/zinc/98/32/60/370983260.db2.gz USLIHQYNOSVFCZ-KKUMJFAQSA-N 2 1 256.434 2.464 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000358264648 370981576 /nfs/dbraw/zinc/98/15/76/370981576.db2.gz YQKVASLWSDDPJH-IKGGRYGDSA-N 2 1 292.398 2.118 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000358264648 370981578 /nfs/dbraw/zinc/98/15/78/370981578.db2.gz YQKVASLWSDDPJH-IKGGRYGDSA-N 2 1 292.398 2.118 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](C2CCC2)CC1 ZINC000351593497 369642455 /nfs/dbraw/zinc/64/24/55/369642455.db2.gz CYXRKVSGNOYMIU-HNNXBMFYSA-N 2 1 265.445 2.031 20 0 CEADMP [NH3+]CCC[N@@H+](CCOCC1CC1)CC1CCCC1 ZINC000352516911 369768565 /nfs/dbraw/zinc/76/85/65/369768565.db2.gz ASRYMQAKOOVFLP-UHFFFAOYSA-N 2 1 254.418 2.254 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@@H](C)C2)C1 ZINC000352607972 369805008 /nfs/dbraw/zinc/80/50/08/369805008.db2.gz CEYZFZAKQYAILP-GVDBMIGSSA-N 2 1 298.471 2.234 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000352693477 369840181 /nfs/dbraw/zinc/84/01/81/369840181.db2.gz LRYYSXVZNOVJJO-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000352693477 369840185 /nfs/dbraw/zinc/84/01/85/369840185.db2.gz LRYYSXVZNOVJJO-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCCC[C@H]3CC[NH3+])ccc21 ZINC000352526115 369774076 /nfs/dbraw/zinc/77/40/76/369774076.db2.gz KIGLPBCXYLEYBZ-AWEZNQCLSA-N 2 1 272.396 2.277 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(CO)cc2)C[C@@H]1C ZINC000352540282 369778915 /nfs/dbraw/zinc/77/89/15/369778915.db2.gz JDDXXAYWTLFJJC-YOEHRIQHSA-N 2 1 276.424 2.484 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(CO)cc2)C[C@@H]1C ZINC000352540282 369778920 /nfs/dbraw/zinc/77/89/20/369778920.db2.gz JDDXXAYWTLFJJC-YOEHRIQHSA-N 2 1 276.424 2.484 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(CO)cc2)C[C@@H]1C ZINC000352540282 369778923 /nfs/dbraw/zinc/77/89/23/369778923.db2.gz JDDXXAYWTLFJJC-YOEHRIQHSA-N 2 1 276.424 2.484 20 0 CEADMP CCOc1cccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])n1 ZINC000352541238 369778986 /nfs/dbraw/zinc/77/89/86/369778986.db2.gz VLCGZZCTYUDTEM-AWEZNQCLSA-N 2 1 263.385 2.184 20 0 CEADMP CCOc1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])n1 ZINC000352541238 369778990 /nfs/dbraw/zinc/77/89/90/369778990.db2.gz VLCGZZCTYUDTEM-AWEZNQCLSA-N 2 1 263.385 2.184 20 0 CEADMP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000352727722 369857261 /nfs/dbraw/zinc/85/72/61/369857261.db2.gz SZEHVFZXRJRYEK-ZBFHGGJFSA-N 2 1 296.480 2.315 20 0 CEADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352741968 369863225 /nfs/dbraw/zinc/86/32/25/369863225.db2.gz KLDBFJCLTLSXBU-OLZOCXBDSA-N 2 1 297.468 2.500 20 0 CEADMP CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352743412 369863619 /nfs/dbraw/zinc/86/36/19/369863619.db2.gz UQNDYLQONVXLIW-WCQYABFASA-N 2 1 283.441 2.109 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352757323 369869270 /nfs/dbraw/zinc/86/92/70/369869270.db2.gz TWZLIWQZHVQQFG-ZDUSSCGKSA-N 2 1 299.484 2.339 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC[C@@H]1CCCC[N@H+]1C ZINC000352801747 369883980 /nfs/dbraw/zinc/88/39/80/369883980.db2.gz UBJPUHXFYQNBID-IKGGRYGDSA-N 2 1 279.472 2.419 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@@H]2C1 ZINC000193619793 369963598 /nfs/dbraw/zinc/96/35/98/369963598.db2.gz IORMGGQWILAAPC-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4cccnc43)C[C@@H]2C1 ZINC000193619793 369963602 /nfs/dbraw/zinc/96/36/02/369963602.db2.gz IORMGGQWILAAPC-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc4cccnc43)C[C@@H]2C1 ZINC000193619793 369963604 /nfs/dbraw/zinc/96/36/04/369963604.db2.gz IORMGGQWILAAPC-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NCc1nccn1CC(F)(F)F ZINC000353064101 370005708 /nfs/dbraw/zinc/00/57/08/370005708.db2.gz WVHRTIAVPKWEPW-LLVKDONJSA-N 2 1 292.349 2.264 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000353125895 370028527 /nfs/dbraw/zinc/02/85/27/370028527.db2.gz LXGTZKRTBZINCL-UHFFFAOYSA-N 2 1 299.422 2.230 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](COC(F)F)C1 ZINC000353027544 369989803 /nfs/dbraw/zinc/98/98/03/369989803.db2.gz YADNIUKYFATHNW-NWDGAFQWSA-N 2 1 262.344 2.032 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353027544 369989812 /nfs/dbraw/zinc/98/98/12/369989812.db2.gz YADNIUKYFATHNW-NWDGAFQWSA-N 2 1 262.344 2.032 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353027544 369989813 /nfs/dbraw/zinc/98/98/13/369989813.db2.gz YADNIUKYFATHNW-NWDGAFQWSA-N 2 1 262.344 2.032 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](COC(F)F)C1 ZINC000353027548 369990080 /nfs/dbraw/zinc/99/00/80/369990080.db2.gz YADNIUKYFATHNW-VXGBXAGGSA-N 2 1 262.344 2.032 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353027548 369990082 /nfs/dbraw/zinc/99/00/82/369990082.db2.gz YADNIUKYFATHNW-VXGBXAGGSA-N 2 1 262.344 2.032 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353027548 369990084 /nfs/dbraw/zinc/99/00/84/369990084.db2.gz YADNIUKYFATHNW-VXGBXAGGSA-N 2 1 262.344 2.032 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1CCC(=O)NC ZINC000353183250 370058687 /nfs/dbraw/zinc/05/86/87/370058687.db2.gz POBRQQJCCWHAKC-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)Nc2ccccc2C[NH2+]C)CC[N@H+]1C ZINC000637808958 370079995 /nfs/dbraw/zinc/07/99/95/370079995.db2.gz NMWYKIBDJUWZHX-DZGCQCFKSA-N 2 1 275.396 2.075 20 0 CEADMP Cc1ccnc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000353516759 370115177 /nfs/dbraw/zinc/11/51/77/370115177.db2.gz JUEQESBCFIJWBS-HOTGVXAUSA-N 2 1 291.439 2.278 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC000353997232 370170256 /nfs/dbraw/zinc/17/02/56/370170256.db2.gz QWXAHDIBNVNEGH-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC000353997232 370170260 /nfs/dbraw/zinc/17/02/60/370170260.db2.gz QWXAHDIBNVNEGH-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCO1 ZINC000353628279 370119378 /nfs/dbraw/zinc/11/93/78/370119378.db2.gz AYWOYMTZLORPEM-KJWHEZOQSA-N 2 1 252.402 2.016 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1(C(=O)OC)CCC1 ZINC000354085191 370210107 /nfs/dbraw/zinc/21/01/07/370210107.db2.gz HAUNSEFBGHXASS-RDBSUJKOSA-N 2 1 282.428 2.181 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1(C(=O)OC)CCC1 ZINC000354085191 370210110 /nfs/dbraw/zinc/21/01/10/370210110.db2.gz HAUNSEFBGHXASS-RDBSUJKOSA-N 2 1 282.428 2.181 20 0 CEADMP Cn1cccc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000354108445 370219356 /nfs/dbraw/zinc/21/93/56/370219356.db2.gz VUNPINLMCNDYHK-OAHLLOKOSA-N 2 1 261.413 2.189 20 0 CEADMP Cn1cccc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000354108445 370219359 /nfs/dbraw/zinc/21/93/59/370219359.db2.gz VUNPINLMCNDYHK-OAHLLOKOSA-N 2 1 261.413 2.189 20 0 CEADMP Cn1cccc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000354108445 370219365 /nfs/dbraw/zinc/21/93/65/370219365.db2.gz VUNPINLMCNDYHK-OAHLLOKOSA-N 2 1 261.413 2.189 20 0 CEADMP Cn1cccc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000354108445 370219371 /nfs/dbraw/zinc/21/93/71/370219371.db2.gz VUNPINLMCNDYHK-OAHLLOKOSA-N 2 1 261.413 2.189 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000354134399 370228967 /nfs/dbraw/zinc/22/89/67/370228967.db2.gz SIMLUAWKIPMQDS-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000354134399 370228971 /nfs/dbraw/zinc/22/89/71/370228971.db2.gz SIMLUAWKIPMQDS-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223196868 370261454 /nfs/dbraw/zinc/26/14/54/370261454.db2.gz YQJIOYALLCNYDH-IPYPFGDCSA-N 2 1 262.397 2.396 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223196868 370261460 /nfs/dbraw/zinc/26/14/60/370261460.db2.gz YQJIOYALLCNYDH-IPYPFGDCSA-N 2 1 262.397 2.396 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C1CCSCC1 ZINC000354215512 370262888 /nfs/dbraw/zinc/26/28/88/370262888.db2.gz ITIQXNPNVUQJON-LLVKDONJSA-N 2 1 253.415 2.313 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)NC2CCCC2)C[C@H]1C ZINC000354225942 370270502 /nfs/dbraw/zinc/27/05/02/370270502.db2.gz ZSRQNJOXVHNEMT-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)NC2CCCC2)C[C@H]1C ZINC000354225942 370270508 /nfs/dbraw/zinc/27/05/08/370270508.db2.gz ZSRQNJOXVHNEMT-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)NC2CCCC2)C[C@H]1C ZINC000354225942 370270511 /nfs/dbraw/zinc/27/05/11/370270511.db2.gz ZSRQNJOXVHNEMT-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)CC[C@@H]([NH3+])C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000638127349 370321208 /nfs/dbraw/zinc/32/12/08/370321208.db2.gz VCCHTFDAUMDJMM-HUUCEWRRSA-N 2 1 283.460 2.083 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CCOCC2)C[C@H]1C ZINC000638110163 370306738 /nfs/dbraw/zinc/30/67/38/370306738.db2.gz JCHYDBOALMJBJW-PVAVHDDUSA-N 2 1 298.471 2.233 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)C2CCOCC2)C[C@H]1C ZINC000638110163 370306743 /nfs/dbraw/zinc/30/67/43/370306743.db2.gz JCHYDBOALMJBJW-PVAVHDDUSA-N 2 1 298.471 2.233 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)C2CCOCC2)C[C@H]1C ZINC000638110163 370306748 /nfs/dbraw/zinc/30/67/48/370306748.db2.gz JCHYDBOALMJBJW-PVAVHDDUSA-N 2 1 298.471 2.233 20 0 CEADMP Cn1c(C[NH2+]C2CC[NH+](C)CC2)cc2ccccc21 ZINC000638305122 370435767 /nfs/dbraw/zinc/43/57/67/370435767.db2.gz ZNJGZWDEAROTOL-UHFFFAOYSA-N 2 1 257.381 2.362 20 0 CEADMP CO[C@H](C[NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000638302613 370434005 /nfs/dbraw/zinc/43/40/05/370434005.db2.gz JHCRFHSDAFJOAR-NVXWUHKLSA-N 2 1 298.471 2.282 20 0 CEADMP COC1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000228527165 370404797 /nfs/dbraw/zinc/40/47/97/370404797.db2.gz IBIJHIRTKAQVJN-CVSAEHQPSA-N 2 1 252.402 2.160 20 0 CEADMP COC1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000228527165 370404801 /nfs/dbraw/zinc/40/48/01/370404801.db2.gz IBIJHIRTKAQVJN-CVSAEHQPSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000230306799 370451727 /nfs/dbraw/zinc/45/17/27/370451727.db2.gz JTPIPHFYWWHHNE-VDHUWJSZSA-N 2 1 288.435 2.258 20 0 CEADMP O=c1c(C[NH2+]CCC[NH+]2CCCCC2)cccn1C(F)F ZINC000638310496 370437627 /nfs/dbraw/zinc/43/76/27/370437627.db2.gz XORZPCAHYFUXSR-UHFFFAOYSA-N 2 1 299.365 2.209 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3)C[C@@H]21 ZINC000230046524 370437746 /nfs/dbraw/zinc/43/77/46/370437746.db2.gz IMUMXVNOXLDLHL-VNQPRFMTSA-N 2 1 287.407 2.074 20 0 CEADMP CC(C)n1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000232774417 370511288 /nfs/dbraw/zinc/51/12/88/370511288.db2.gz SEGDTRGUWDMGPW-AWEZNQCLSA-N 2 1 250.390 2.167 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000232774417 370511293 /nfs/dbraw/zinc/51/12/93/370511293.db2.gz SEGDTRGUWDMGPW-AWEZNQCLSA-N 2 1 250.390 2.167 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C)ns2)C1 ZINC000638451101 370541258 /nfs/dbraw/zinc/54/12/58/370541258.db2.gz KUVZHQKAHMACQQ-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C)ns2)C1 ZINC000638451101 370541260 /nfs/dbraw/zinc/54/12/60/370541260.db2.gz KUVZHQKAHMACQQ-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000351867348 284229520 /nfs/dbraw/zinc/22/95/20/284229520.db2.gz XPUFDMBVOJLRPP-QLFBSQMISA-N 2 1 289.423 2.097 20 0 CEADMP CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000351867348 284229521 /nfs/dbraw/zinc/22/95/21/284229521.db2.gz XPUFDMBVOJLRPP-QLFBSQMISA-N 2 1 289.423 2.097 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH+]1CCCCCC1 ZINC000355413880 370557640 /nfs/dbraw/zinc/55/76/40/370557640.db2.gz VFQDLEDBHYYQTD-IYBDPMFKSA-N 2 1 295.471 2.242 20 0 CEADMP Cn1cc(CCC[NH2+]CC[N@H+](C)C2CCCCC2)cn1 ZINC000638436569 370529152 /nfs/dbraw/zinc/52/91/52/370529152.db2.gz CDTOBWPCDXPFDC-UHFFFAOYSA-N 2 1 278.444 2.207 20 0 CEADMP Cn1cc(CCC[NH2+]CC[N@@H+](C)C2CCCCC2)cn1 ZINC000638436569 370529157 /nfs/dbraw/zinc/52/91/57/370529157.db2.gz CDTOBWPCDXPFDC-UHFFFAOYSA-N 2 1 278.444 2.207 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNc1ncnc(N)c1Cl ZINC000235539822 370569080 /nfs/dbraw/zinc/56/90/80/370569080.db2.gz JBCNUELWZLGXKY-JTQLQIEISA-N 2 1 283.807 2.389 20 0 CEADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638596764 370627270 /nfs/dbraw/zinc/62/72/70/370627270.db2.gz POZVLGXJSJIZIY-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638596764 370627274 /nfs/dbraw/zinc/62/72/74/370627274.db2.gz POZVLGXJSJIZIY-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000356223995 370629570 /nfs/dbraw/zinc/62/95/70/370629570.db2.gz QGURTSHRVXROJG-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2nccnc2c1 ZINC000639175057 371049345 /nfs/dbraw/zinc/04/93/45/371049345.db2.gz HKIKMRUMHRXJTK-UHFFFAOYSA-N 2 1 272.396 2.403 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2nccnc2c1 ZINC000639175057 371049349 /nfs/dbraw/zinc/04/93/49/371049349.db2.gz HKIKMRUMHRXJTK-UHFFFAOYSA-N 2 1 272.396 2.403 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000358321126 371011975 /nfs/dbraw/zinc/01/19/75/371011975.db2.gz QPASJQOGUCCOFF-INIZCTEOSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCOC1 ZINC000246952433 371035664 /nfs/dbraw/zinc/03/56/64/371035664.db2.gz IEYFMTABWVFUMO-BARDWOONSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@H]1CCOC1 ZINC000246952433 371035667 /nfs/dbraw/zinc/03/56/67/371035667.db2.gz IEYFMTABWVFUMO-BARDWOONSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@@H+](CCC[C@H]1CCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639163880 371037365 /nfs/dbraw/zinc/03/73/65/371037365.db2.gz XWXHJLNHBQMEPS-IXXDHKBRSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](CCC[C@H]1CCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000639163880 371037371 /nfs/dbraw/zinc/03/73/71/371037371.db2.gz XWXHJLNHBQMEPS-IXXDHKBRSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](CCC[C@H]1CCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000639163880 371037374 /nfs/dbraw/zinc/03/73/74/371037374.db2.gz XWXHJLNHBQMEPS-IXXDHKBRSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccn(C(F)F)c1=O ZINC000639177444 371055134 /nfs/dbraw/zinc/05/51/34/371055134.db2.gz DHSUZAPSQMHTHO-YPMHNXCESA-N 2 1 299.365 2.015 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccn(C(F)F)c1=O ZINC000639177444 371055139 /nfs/dbraw/zinc/05/51/39/371055139.db2.gz DHSUZAPSQMHTHO-YPMHNXCESA-N 2 1 299.365 2.015 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccn(C(F)F)c1=O ZINC000639177444 371055142 /nfs/dbraw/zinc/05/51/42/371055142.db2.gz DHSUZAPSQMHTHO-YPMHNXCESA-N 2 1 299.365 2.015 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccn(C(F)F)c1=O ZINC000639177444 371055148 /nfs/dbraw/zinc/05/51/48/371055148.db2.gz DHSUZAPSQMHTHO-YPMHNXCESA-N 2 1 299.365 2.015 20 0 CEADMP CCOC1CC(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000639178182 371058213 /nfs/dbraw/zinc/05/82/13/371058213.db2.gz ZYDKEKVSQYENSD-WIHSUSGWSA-N 2 1 280.456 2.465 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(CO)cc2)C1 ZINC000639180842 371062282 /nfs/dbraw/zinc/06/22/82/371062282.db2.gz ZNQBMCQHRDFYKJ-IRXDYDNUSA-N 2 1 274.408 2.095 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(CO)cc2)C1 ZINC000639180842 371062285 /nfs/dbraw/zinc/06/22/85/371062285.db2.gz ZNQBMCQHRDFYKJ-IRXDYDNUSA-N 2 1 274.408 2.095 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(CO)cc2)C1 ZINC000639180842 371062290 /nfs/dbraw/zinc/06/22/90/371062290.db2.gz ZNQBMCQHRDFYKJ-IRXDYDNUSA-N 2 1 274.408 2.095 20 0 CEADMP c1nc2c([nH]1)CC[C@@H]([NH2+]Cc1nc3ccccc3o1)C2 ZINC000639192011 371073397 /nfs/dbraw/zinc/07/33/97/371073397.db2.gz NQYDHEINEBZUBA-SNVBAGLBSA-N 2 1 268.320 2.198 20 0 CEADMP CCC[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)OC ZINC000639206522 371093514 /nfs/dbraw/zinc/09/35/14/371093514.db2.gz AFCINBYRRIIBBC-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)OC ZINC000639206522 371093522 /nfs/dbraw/zinc/09/35/22/371093522.db2.gz AFCINBYRRIIBBC-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)OC ZINC000639206522 371093528 /nfs/dbraw/zinc/09/35/28/371093528.db2.gz AFCINBYRRIIBBC-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000358558283 371117102 /nfs/dbraw/zinc/11/71/02/371117102.db2.gz XJMHALPQMUZQFB-UHFFFAOYSA-N 2 1 263.385 2.029 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](c3ccncc3)C2)CC[N@@H+]1C ZINC000639232082 371125930 /nfs/dbraw/zinc/12/59/30/371125930.db2.gz ABENXUNNTZMWPE-SIXLDLHFSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](c3ccncc3)C2)CC[N@H+]1C ZINC000639232082 371125935 /nfs/dbraw/zinc/12/59/35/371125935.db2.gz ABENXUNNTZMWPE-SIXLDLHFSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000358647575 371153921 /nfs/dbraw/zinc/15/39/21/371153921.db2.gz HRCHSUUOTWYFGL-VHDGCEQUSA-N 2 1 298.377 2.255 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000358647575 371153923 /nfs/dbraw/zinc/15/39/23/371153923.db2.gz HRCHSUUOTWYFGL-VHDGCEQUSA-N 2 1 298.377 2.255 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(CO)cc2)C1 ZINC000639257869 371158207 /nfs/dbraw/zinc/15/82/07/371158207.db2.gz SGGREZKOBNSOBD-OAHLLOKOSA-N 2 1 262.397 2.000 20 0 CEADMP C[C@H]1C[C@@H](N(CC[NH3+])c2ccc3ccccc3n2)CC[N@H+]1C ZINC000639261800 371162073 /nfs/dbraw/zinc/16/20/73/371162073.db2.gz NPMKAYFHNQNGFI-HOCLYGCPSA-N 2 1 298.434 2.483 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CCO)c2ccccc2)[C@@H](C)C1 ZINC000248138601 371164024 /nfs/dbraw/zinc/16/40/24/371164024.db2.gz PJNBKQHETNVZQZ-JQHSSLGASA-N 2 1 290.451 2.473 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248155872 371164820 /nfs/dbraw/zinc/16/48/20/371164820.db2.gz RJBFJXZHENTSPG-KKUMJFAQSA-N 2 1 256.434 2.246 20 0 CEADMP CO[C@H](C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000639285693 371187374 /nfs/dbraw/zinc/18/73/74/371187374.db2.gz JHZNECPZNQGVLJ-FGTMMUONSA-N 2 1 288.435 2.346 20 0 CEADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000248436701 371194984 /nfs/dbraw/zinc/19/49/84/371194984.db2.gz GLNRUXOJMHGCTM-CXAGYDPISA-N 2 1 274.408 2.141 20 0 CEADMP C[N@@H+](C[C@@H](O)CCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000248614737 371221993 /nfs/dbraw/zinc/22/19/93/371221993.db2.gz YPKMLVITFCMEDL-MSOLQXFVSA-N 2 1 290.451 2.254 20 0 CEADMP C[NH+](C[C@@H](O)CCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000248614737 371221996 /nfs/dbraw/zinc/22/19/96/371221996.db2.gz YPKMLVITFCMEDL-MSOLQXFVSA-N 2 1 290.451 2.254 20 0 CEADMP C[NH+](C[C@@H](O)CCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000248614737 371222001 /nfs/dbraw/zinc/22/20/01/371222001.db2.gz YPKMLVITFCMEDL-MSOLQXFVSA-N 2 1 290.451 2.254 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC000639348347 371261259 /nfs/dbraw/zinc/26/12/59/371261259.db2.gz WKOZGIKGZWWQBF-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP COCC1([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC000639336691 371245986 /nfs/dbraw/zinc/24/59/86/371245986.db2.gz FJDZZYKTWWGKHX-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP COCC1([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000639336691 371245991 /nfs/dbraw/zinc/24/59/91/371245991.db2.gz FJDZZYKTWWGKHX-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP CC1([NH+]2CCCC2)CC[NH+](CC2=CCCOC2)CC1 ZINC000639375119 371285377 /nfs/dbraw/zinc/28/53/77/371285377.db2.gz QJSMSEVMBCORAI-UHFFFAOYSA-N 2 1 264.413 2.283 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000249070492 371290623 /nfs/dbraw/zinc/29/06/23/371290623.db2.gz YCODIFXITHVYJT-XYTVBORESA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H]1CCCC[NH+]1CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249070492 371290626 /nfs/dbraw/zinc/29/06/26/371290626.db2.gz YCODIFXITHVYJT-XYTVBORESA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H]1CCCC[NH+]1CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249070492 371290627 /nfs/dbraw/zinc/29/06/27/371290627.db2.gz YCODIFXITHVYJT-XYTVBORESA-N 2 1 279.472 2.466 20 0 CEADMP COC[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000249786080 371363307 /nfs/dbraw/zinc/36/33/07/371363307.db2.gz MEBWRXJSKGVPGU-LSDHHAIUSA-N 2 1 256.434 2.227 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000250595077 371388064 /nfs/dbraw/zinc/38/80/64/371388064.db2.gz ILYPZJFLMJJOOU-YOEHRIQHSA-N 2 1 258.409 2.475 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc[nH]c(=O)c2)C[C@H]1C ZINC000639509996 371373357 /nfs/dbraw/zinc/37/33/57/371373357.db2.gz RYZGGUUZEGVAHK-OCCSQVGLSA-N 2 1 263.385 2.092 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc[nH]c(=O)c2)C[C@H]1C ZINC000639509996 371373360 /nfs/dbraw/zinc/37/33/60/371373360.db2.gz RYZGGUUZEGVAHK-OCCSQVGLSA-N 2 1 263.385 2.092 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc[nH]c(=O)c2)C[C@H]1C ZINC000639509996 371373363 /nfs/dbraw/zinc/37/33/63/371373363.db2.gz RYZGGUUZEGVAHK-OCCSQVGLSA-N 2 1 263.385 2.092 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC(C)(C)CO3)CC[C@@H]21 ZINC000639518304 371380178 /nfs/dbraw/zinc/38/01/78/371380178.db2.gz DUQDRYYKOLIYKB-ILXRZTDVSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250474148 371384130 /nfs/dbraw/zinc/38/41/30/371384130.db2.gz SCMFAVILFIBSEB-CBBWQLFWSA-N 2 1 252.402 2.160 20 0 CEADMP COc1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252869946 371485120 /nfs/dbraw/zinc/48/51/20/371485120.db2.gz SBZKAVZDDNEBGN-QEJZJMRPSA-N 2 1 260.381 2.254 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000359336200 371434196 /nfs/dbraw/zinc/43/41/96/371434196.db2.gz FBQCEDZFFHFKNS-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP CCC[NH+](C)CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000359336200 371434206 /nfs/dbraw/zinc/43/42/06/371434206.db2.gz FBQCEDZFFHFKNS-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP CCC[NH+](C)CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000359336200 371434212 /nfs/dbraw/zinc/43/42/12/371434212.db2.gz FBQCEDZFFHFKNS-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252710084 371471387 /nfs/dbraw/zinc/47/13/87/371471387.db2.gz FQVSULQDBLFSKT-XOKHGSTOSA-N 2 1 292.398 2.210 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252710084 371471394 /nfs/dbraw/zinc/47/13/94/371471394.db2.gz FQVSULQDBLFSKT-XOKHGSTOSA-N 2 1 292.398 2.210 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(O)CCCCCC1 ZINC000252715126 371472179 /nfs/dbraw/zinc/47/21/79/371472179.db2.gz URZNEMJHTXLYQZ-ZIAGYGMSSA-N 2 1 254.418 2.002 20 0 CEADMP COc1cccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639681955 371491760 /nfs/dbraw/zinc/49/17/60/371491760.db2.gz BFTVWTUKWCELKN-UHFFFAOYSA-N 2 1 298.390 2.198 20 0 CEADMP CCCCOCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682959 371491797 /nfs/dbraw/zinc/49/17/97/371491797.db2.gz NQQALVKXWBNUQX-UHFFFAOYSA-N 2 1 277.412 2.410 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252840037 371481068 /nfs/dbraw/zinc/48/10/68/371481068.db2.gz BJTDZXISDKSEMC-BPUTZDHNSA-N 2 1 260.381 2.254 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000360948753 371556345 /nfs/dbraw/zinc/55/63/45/371556345.db2.gz VUXWLPSUECGSGZ-XHDPSFHLSA-N 2 1 268.351 2.437 20 0 CEADMP CCN1[C@H](C)C[N@H+](CCCCn2ccnc2C)C[C@@H]1C ZINC000639741675 371526167 /nfs/dbraw/zinc/52/61/67/371526167.db2.gz CIZCBNLTBWKZQO-GASCZTMLSA-N 2 1 278.444 2.386 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc4n(n3)CCCC4)C2)CC1 ZINC000639755125 371545352 /nfs/dbraw/zinc/54/53/52/371545352.db2.gz GMQKRJCHYCKTCB-UHFFFAOYSA-N 2 1 288.439 2.137 20 0 CEADMP CCO[C@H](C[N@H+]1CCC2(C1)CC[NH+](C)CC2)C1CC1 ZINC000639757544 371547193 /nfs/dbraw/zinc/54/71/93/371547193.db2.gz LUSCTLASOKLTPB-OAHLLOKOSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cn4ccccc4n3)C2)CC1 ZINC000639760160 371548822 /nfs/dbraw/zinc/54/88/22/371548822.db2.gz SIDBRIWLVSSVRY-UHFFFAOYSA-N 2 1 284.407 2.252 20 0 CEADMP Cc1nc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)oc1C ZINC000639758175 371549157 /nfs/dbraw/zinc/54/91/57/371549157.db2.gz PTMMCTLNCXZPFR-UHFFFAOYSA-N 2 1 263.385 2.209 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCCc2ccccc2)C1 ZINC000639767341 371555095 /nfs/dbraw/zinc/55/50/95/371555095.db2.gz QQADHOUXTFKJEB-SFHVURJKSA-N 2 1 290.451 2.398 20 0 CEADMP CC(=O)CC[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000361011862 371597448 /nfs/dbraw/zinc/59/74/48/371597448.db2.gz KPIWVCICTIETJS-UHFFFAOYSA-N 2 1 261.369 2.245 20 0 CEADMP C[N@@H+](CCOCc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000261540070 371639376 /nfs/dbraw/zinc/63/93/76/371639376.db2.gz DRTYGFIFFHZQQU-INIZCTEOSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000261559916 371646961 /nfs/dbraw/zinc/64/69/61/371646961.db2.gz ZMSSJRMDLLLAJY-INIZCTEOSA-N 2 1 255.365 2.406 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000361106265 371649611 /nfs/dbraw/zinc/64/96/11/371649611.db2.gz FMLFLKNWQFXLPE-CZUORRHYSA-N 2 1 261.413 2.182 20 0 CEADMP CC1([NH+]2CCCC2)CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000639982594 371710792 /nfs/dbraw/zinc/71/07/92/371710792.db2.gz RMMNVWCAUDDWEV-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP FC(F)c1cccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000261619884 371682396 /nfs/dbraw/zinc/68/23/96/371682396.db2.gz GGKQSRWPPYLPSJ-OAHLLOKOSA-N 2 1 295.377 2.104 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1F ZINC000261638546 371688850 /nfs/dbraw/zinc/68/88/50/371688850.db2.gz ABDHTYYLPBFAJB-HNNXBMFYSA-N 2 1 266.360 2.395 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1F ZINC000261638546 371688853 /nfs/dbraw/zinc/68/88/53/371688853.db2.gz ABDHTYYLPBFAJB-HNNXBMFYSA-N 2 1 266.360 2.395 20 0 CEADMP CCOc1ccc2c(c1)CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000261644280 371690186 /nfs/dbraw/zinc/69/01/86/371690186.db2.gz ALRQCKJJIIIYAG-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP CCOc1ccc2c(c1)CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000261644280 371690195 /nfs/dbraw/zinc/69/01/95/371690195.db2.gz ALRQCKJJIIIYAG-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000261845169 371747221 /nfs/dbraw/zinc/74/72/21/371747221.db2.gz WEMKMSYBLWHVED-MRXNPFEDSA-N 2 1 270.380 2.043 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000261845169 371747227 /nfs/dbraw/zinc/74/72/27/371747227.db2.gz WEMKMSYBLWHVED-MRXNPFEDSA-N 2 1 270.380 2.043 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000261860804 371753120 /nfs/dbraw/zinc/75/31/20/371753120.db2.gz SGHLACBTWXPKFC-AWEZNQCLSA-N 2 1 276.409 2.309 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000261860804 371753126 /nfs/dbraw/zinc/75/31/26/371753126.db2.gz SGHLACBTWXPKFC-AWEZNQCLSA-N 2 1 276.409 2.309 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000261877864 371758220 /nfs/dbraw/zinc/75/82/20/371758220.db2.gz ZZWNCBQSWGYEAX-OAHLLOKOSA-N 2 1 295.814 2.339 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000261877859 371758350 /nfs/dbraw/zinc/75/83/50/371758350.db2.gz ZZWNCBQSWGYEAX-HNNXBMFYSA-N 2 1 295.814 2.339 20 0 CEADMP Cc1ccnc(OC2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000261909183 371768591 /nfs/dbraw/zinc/76/85/91/371768591.db2.gz XUKPNUQDDGXUGL-KRWDZBQOSA-N 2 1 289.423 2.233 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000261936995 371776931 /nfs/dbraw/zinc/77/69/31/371776931.db2.gz MFBCALPTQSBTKQ-HNNXBMFYSA-N 2 1 284.407 2.433 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000261971845 371786670 /nfs/dbraw/zinc/78/66/70/371786670.db2.gz QJADXDJPKYOQSP-JTQLQIEISA-N 2 1 251.399 2.062 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000261971845 371786678 /nfs/dbraw/zinc/78/66/78/371786678.db2.gz QJADXDJPKYOQSP-JTQLQIEISA-N 2 1 251.399 2.062 20 0 CEADMP c1ccc2nc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)ccc2c1 ZINC000261816210 371742521 /nfs/dbraw/zinc/74/25/21/371742521.db2.gz SVQWGOYJTKZJJG-GDBMZVCRSA-N 2 1 267.376 2.419 20 0 CEADMP c1ccc2nc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)ccc2c1 ZINC000261816210 371742524 /nfs/dbraw/zinc/74/25/24/371742524.db2.gz SVQWGOYJTKZJJG-GDBMZVCRSA-N 2 1 267.376 2.419 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000361409463 371831866 /nfs/dbraw/zinc/83/18/66/371831866.db2.gz VSFHTLMTSWLREJ-OAHLLOKOSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000361409463 371831874 /nfs/dbraw/zinc/83/18/74/371831874.db2.gz VSFHTLMTSWLREJ-OAHLLOKOSA-N 2 1 265.401 2.471 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262020288 371801848 /nfs/dbraw/zinc/80/18/48/371801848.db2.gz WBRCUSBCIUGMIN-ZIAGYGMSSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262020288 371801858 /nfs/dbraw/zinc/80/18/58/371801858.db2.gz WBRCUSBCIUGMIN-ZIAGYGMSSA-N 2 1 270.380 2.041 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000262033430 371805350 /nfs/dbraw/zinc/80/53/50/371805350.db2.gz XKUQMDJAKHXDMJ-ARFHVFGLSA-N 2 1 288.439 2.097 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nccn3-c3ccccc3)C[C@H]21 ZINC000262048731 371813925 /nfs/dbraw/zinc/81/39/25/371813925.db2.gz ZIOUPQVVIILREC-USXIJHARSA-N 2 1 296.418 2.432 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nccn3-c3ccccc3)C[C@H]21 ZINC000262048731 371813933 /nfs/dbraw/zinc/81/39/33/371813933.db2.gz ZIOUPQVVIILREC-USXIJHARSA-N 2 1 296.418 2.432 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000262068713 371817462 /nfs/dbraw/zinc/81/74/62/371817462.db2.gz BTHCFMYVEZXQNX-GJZGRUSLSA-N 2 1 262.397 2.351 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000262082789 371820007 /nfs/dbraw/zinc/82/00/07/371820007.db2.gz FMCRMKMRTAPHMA-OAHLLOKOSA-N 2 1 262.397 2.353 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1Cl ZINC000262096571 371823678 /nfs/dbraw/zinc/82/36/78/371823678.db2.gz IABUWDXQKIDCGU-HNNXBMFYSA-N 2 1 293.842 2.128 20 0 CEADMP COC1(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCC1 ZINC000361554054 371917455 /nfs/dbraw/zinc/91/74/55/371917455.db2.gz RIGLOHVVLFMMQC-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP CCC(C)(C)NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532562 372022247 /nfs/dbraw/zinc/02/22/47/372022247.db2.gz TVWHWRKRZRLOTP-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP Cc1cnc(C[N@H+](C)CCCC[NH+]2CCCCC2)nc1 ZINC000640533873 372024618 /nfs/dbraw/zinc/02/46/18/372024618.db2.gz XVEGSSYTDLNHPB-UHFFFAOYSA-N 2 1 276.428 2.483 20 0 CEADMP Cc1cnc(C[N@@H+](C)CCCC[NH+]2CCCCC2)nc1 ZINC000640533873 372024623 /nfs/dbraw/zinc/02/46/23/372024623.db2.gz XVEGSSYTDLNHPB-UHFFFAOYSA-N 2 1 276.428 2.483 20 0 CEADMP CCC[N@@H+](CCCSC)CCN1CC[NH+](CC)CC1 ZINC000344163724 217080887 /nfs/dbraw/zinc/08/08/87/217080887.db2.gz LKUOUFNEFZKTBN-UHFFFAOYSA-N 2 1 287.517 2.089 20 0 CEADMP O[C@]12C[C@H]1C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000640486483 372005909 /nfs/dbraw/zinc/00/59/09/372005909.db2.gz MIHFWDIKTNCTEC-ROUUACIJSA-N 2 1 286.419 2.239 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000361876794 372111757 /nfs/dbraw/zinc/11/17/57/372111757.db2.gz GUTJRPXFMXGKDZ-QAPCUYQASA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000361876794 372111761 /nfs/dbraw/zinc/11/17/61/372111761.db2.gz GUTJRPXFMXGKDZ-QAPCUYQASA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000361804726 372079955 /nfs/dbraw/zinc/07/99/55/372079955.db2.gz OKQNFRWWQHQLGS-HZSPNIEDSA-N 2 1 284.444 2.427 20 0 CEADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268792737 372224312 /nfs/dbraw/zinc/22/43/12/372224312.db2.gz GVZCDWOZWYZUPX-SJLPKXTDSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268792737 372224323 /nfs/dbraw/zinc/22/43/23/372224323.db2.gz GVZCDWOZWYZUPX-SJLPKXTDSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268792737 372224333 /nfs/dbraw/zinc/22/43/33/372224333.db2.gz GVZCDWOZWYZUPX-SJLPKXTDSA-N 2 1 289.467 2.438 20 0 CEADMP COc1ccsc1C[NH2+]CCCn1cc[nH+]c1C ZINC000268813434 372236506 /nfs/dbraw/zinc/23/65/06/372236506.db2.gz UYGMIXVMRMJWRC-UHFFFAOYSA-N 2 1 265.382 2.442 20 0 CEADMP C[C@@H](O)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268862285 372260175 /nfs/dbraw/zinc/26/01/75/372260175.db2.gz GNYDPGQTFAYELW-CQSZACIVSA-N 2 1 294.414 2.193 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCn2cnc3ccccc32)CC[N@H+]1C ZINC000268880630 372269879 /nfs/dbraw/zinc/26/98/79/372269879.db2.gz ZTHCWEXIOROZMO-UONOGXRCSA-N 2 1 272.396 2.109 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@](C)(O)c1ccccc1 ZINC000268884053 372271929 /nfs/dbraw/zinc/27/19/29/372271929.db2.gz MIDJCWGRVWASSI-JHNDHUHGSA-N 2 1 276.424 2.212 20 0 CEADMP C[C@H](CC[NH+](C)C)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269003805 372312814 /nfs/dbraw/zinc/31/28/14/372312814.db2.gz MGGMOFUKDXSLLS-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP Cc1[nH+]ccn1CCCCn1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000641149476 372348100 /nfs/dbraw/zinc/34/81/00/372348100.db2.gz GCHXAMWKAANUJA-AWEZNQCLSA-N 2 1 290.415 2.309 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(C[NH+]2CCCC2)nn1 ZINC000641167825 372362909 /nfs/dbraw/zinc/36/29/09/372362909.db2.gz ZLFWRSSSFWUWRC-MRXNPFEDSA-N 2 1 291.443 2.137 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(C[NH+]2CCCC2)nn1 ZINC000641167825 372362921 /nfs/dbraw/zinc/36/29/21/372362921.db2.gz ZLFWRSSSFWUWRC-MRXNPFEDSA-N 2 1 291.443 2.137 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000362820717 372535760 /nfs/dbraw/zinc/53/57/60/372535760.db2.gz QIYQRBPGAMHNQX-ZBFHGGJFSA-N 2 1 295.471 2.050 20 0 CEADMP CCCCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362700904 372493455 /nfs/dbraw/zinc/49/34/55/372493455.db2.gz DJAUDBPFLVIHHI-CVEARBPZSA-N 2 1 267.461 2.134 20 0 CEADMP CC[N@@H+](CC(=O)N(C)CCCC[NH+]1CCCCC1)C1CC1 ZINC000641662843 372614596 /nfs/dbraw/zinc/61/45/96/372614596.db2.gz MCETYEUXWJDKIG-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000641774795 372719284 /nfs/dbraw/zinc/71/92/84/372719284.db2.gz HTYFPUNVQQFXDR-JKSUJKDBSA-N 2 1 262.397 2.040 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1sccc1C ZINC000641772306 372715392 /nfs/dbraw/zinc/71/53/92/372715392.db2.gz ONSFGVXPKPUNIO-ZDUSSCGKSA-N 2 1 270.442 2.239 20 0 CEADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)o1 ZINC000641797414 372738689 /nfs/dbraw/zinc/73/86/89/372738689.db2.gz BQUJOPYFKCTUNL-NWDGAFQWSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)o1 ZINC000641797414 372738693 /nfs/dbraw/zinc/73/86/93/372738693.db2.gz BQUJOPYFKCTUNL-NWDGAFQWSA-N 2 1 251.374 2.105 20 0 CEADMP c1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)sn1 ZINC000641800595 372741682 /nfs/dbraw/zinc/74/16/82/372741682.db2.gz ZJCLMSINTJGTSG-YPMHNXCESA-N 2 1 251.399 2.107 20 0 CEADMP c1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)sn1 ZINC000641800595 372741690 /nfs/dbraw/zinc/74/16/90/372741690.db2.gz ZJCLMSINTJGTSG-YPMHNXCESA-N 2 1 251.399 2.107 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000270345294 372749706 /nfs/dbraw/zinc/74/97/06/372749706.db2.gz VHOWQLCOJQJWHM-OAHLLOKOSA-N 2 1 289.423 2.316 20 0 CEADMP Cc1ccc(NC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1Cl ZINC000641807939 372754798 /nfs/dbraw/zinc/75/47/98/372754798.db2.gz VXZNJCGOKAPROV-STQMWFEESA-N 2 1 295.814 2.302 20 0 CEADMP COCC[N@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000270360716 372755895 /nfs/dbraw/zinc/75/58/95/372755895.db2.gz RQRDALYZRZBPKB-CQSZACIVSA-N 2 1 273.380 2.456 20 0 CEADMP CCc1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)o1 ZINC000641797416 372737332 /nfs/dbraw/zinc/73/73/32/372737332.db2.gz BQUJOPYFKCTUNL-RYUDHWBXSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)o1 ZINC000641797416 372737340 /nfs/dbraw/zinc/73/73/40/372737340.db2.gz BQUJOPYFKCTUNL-RYUDHWBXSA-N 2 1 251.374 2.105 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOC[C@@H]2CCCO2)[C@H]2CCC[C@@H]21 ZINC000353453674 220091564 /nfs/dbraw/zinc/09/15/64/220091564.db2.gz GKGJWYCANWLEQP-YVSFHVDLSA-N 2 1 296.455 2.035 20 0 CEADMP CCCCOC(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365401975 372849442 /nfs/dbraw/zinc/84/94/42/372849442.db2.gz HRKBJUNGBPPGMG-AWEZNQCLSA-N 2 1 270.417 2.136 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365401975 372849452 /nfs/dbraw/zinc/84/94/52/372849452.db2.gz HRKBJUNGBPPGMG-AWEZNQCLSA-N 2 1 270.417 2.136 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nccs2)[C@@H]2CCC[C@H]21 ZINC000353465967 220098377 /nfs/dbraw/zinc/09/83/77/220098377.db2.gz ZZAGIOBAQGYWCQ-SDDRHHMPSA-N 2 1 251.399 2.106 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2nccs2)[C@@H]2CCC[C@H]21 ZINC000353465967 220098380 /nfs/dbraw/zinc/09/83/80/220098380.db2.gz ZZAGIOBAQGYWCQ-SDDRHHMPSA-N 2 1 251.399 2.106 20 0 CEADMP CCc1ccccc1CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000365504162 372876304 /nfs/dbraw/zinc/87/63/04/372876304.db2.gz BLYZBGOJXHYBOL-CALCHBBNSA-N 2 1 258.409 2.285 20 0 CEADMP CCc1ccccc1CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000365504162 372876311 /nfs/dbraw/zinc/87/63/11/372876311.db2.gz BLYZBGOJXHYBOL-CALCHBBNSA-N 2 1 258.409 2.285 20 0 CEADMP CSC1(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CCC1 ZINC000365611892 372902888 /nfs/dbraw/zinc/90/28/88/372902888.db2.gz JMHHYDMFCXHNBJ-SOUVJXGZSA-N 2 1 298.496 2.456 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000353497331 220117344 /nfs/dbraw/zinc/11/73/44/220117344.db2.gz DDHKJBUZBOOOME-CABCVRRESA-N 2 1 283.460 2.275 20 0 CEADMP CCc1nc([C@@H]2CCCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)no1 ZINC000643057581 372939179 /nfs/dbraw/zinc/93/91/79/372939179.db2.gz VFYPGLJNENFCMV-STQMWFEESA-N 2 1 278.400 2.159 20 0 CEADMP CCc1nc([C@@H]2CCCC[N@H+]2CC[C@@H]2CC[NH2+]C2)no1 ZINC000643057581 372939184 /nfs/dbraw/zinc/93/91/84/372939184.db2.gz VFYPGLJNENFCMV-STQMWFEESA-N 2 1 278.400 2.159 20 0 CEADMP Cc1cc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cn2cc[nH+]c12 ZINC000333356394 205246927 /nfs/dbraw/zinc/24/69/27/205246927.db2.gz SCGIPNXOQAIIHB-NWDGAFQWSA-N 2 1 287.367 2.034 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000270861341 372985661 /nfs/dbraw/zinc/98/56/61/372985661.db2.gz JWZPWYJUMCFYCX-HUUCEWRRSA-N 2 1 289.379 2.373 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000270861341 372985667 /nfs/dbraw/zinc/98/56/67/372985667.db2.gz JWZPWYJUMCFYCX-HUUCEWRRSA-N 2 1 289.379 2.373 20 0 CEADMP COCC[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000270869578 372990323 /nfs/dbraw/zinc/99/03/23/372990323.db2.gz UAQPDNKHRGLQIE-UHFFFAOYSA-N 2 1 273.380 2.340 20 0 CEADMP COCC[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000270869578 372990330 /nfs/dbraw/zinc/99/03/30/372990330.db2.gz UAQPDNKHRGLQIE-UHFFFAOYSA-N 2 1 273.380 2.340 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000643500634 373157306 /nfs/dbraw/zinc/15/73/06/373157306.db2.gz MDSDORZCQRCLGI-QDEIUJJKSA-N 2 1 251.399 2.385 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](CC)OC)[C@@H](C)C1 ZINC000353559912 220157497 /nfs/dbraw/zinc/15/74/97/220157497.db2.gz MKSLPPRIWTVEQB-JYJNAYRXSA-N 2 1 286.460 2.138 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C12CCCC2 ZINC000643502091 373161941 /nfs/dbraw/zinc/16/19/41/373161941.db2.gz XLOVWPLDWCLSPL-QLFBSQMISA-N 2 1 266.429 2.456 20 0 CEADMP C[N@@H+]([C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1C=CCCC1 ZINC000367622825 373168343 /nfs/dbraw/zinc/16/83/43/373168343.db2.gz KKNXWPXBUBRVGX-RDJZCZTQSA-N 2 1 277.456 2.195 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000643455744 373126114 /nfs/dbraw/zinc/12/61/14/373126114.db2.gz LKGXLTHBDWFPQD-MGPQQGTHSA-N 2 1 276.380 2.076 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC000366885898 373127506 /nfs/dbraw/zinc/12/75/06/373127506.db2.gz QDDQHJPXIQQEJU-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000643462878 373129611 /nfs/dbraw/zinc/12/96/11/373129611.db2.gz QOFWSLYSJFZIFJ-XYPHTWIQSA-N 2 1 271.408 2.205 20 0 CEADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000353562297 220160142 /nfs/dbraw/zinc/16/01/42/220160142.db2.gz MPJUVNNJOOVXFN-HIFRSBDPSA-N 2 1 283.460 2.083 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)[C@@H]2CCC[C@@H]21 ZINC000367638280 373171127 /nfs/dbraw/zinc/17/11/27/373171127.db2.gz OGRCUAVSDKDPEB-LUKYLMHMSA-N 2 1 292.398 2.322 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nn(C)c2ccccc12 ZINC000643481071 373148051 /nfs/dbraw/zinc/14/80/51/373148051.db2.gz LBTSKEVXINIFOM-OCCSQVGLSA-N 2 1 272.396 2.051 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@H](C)[NH3+])ccc1OC(F)F ZINC000643526203 373182950 /nfs/dbraw/zinc/18/29/50/373182950.db2.gz UKCADOCSNLTFOV-IUCAKERBSA-N 2 1 274.311 2.294 20 0 CEADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000643528693 373185772 /nfs/dbraw/zinc/18/57/72/373185772.db2.gz NDCOFFSLKTULMU-PELKAZGASA-N 2 1 269.186 2.373 20 0 CEADMP CCc1nc(C[NH2+]CC2=CC[N@H+](C)CC2)cs1 ZINC000271939691 373225577 /nfs/dbraw/zinc/22/55/77/373225577.db2.gz YOMSWGUYYAFOQT-UHFFFAOYSA-N 2 1 251.399 2.057 20 0 CEADMP CCc1nc(C[NH2+]CC2=CC[N@@H+](C)CC2)cs1 ZINC000271939691 373225582 /nfs/dbraw/zinc/22/55/82/373225582.db2.gz YOMSWGUYYAFOQT-UHFFFAOYSA-N 2 1 251.399 2.057 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)[C@H]2CCC[C@@H]21 ZINC000643548094 373205104 /nfs/dbraw/zinc/20/51/04/373205104.db2.gz MFTOREHGKVTYNJ-WCVJEAGWSA-N 2 1 277.456 2.124 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)[C@H]2CCC[C@@H]21 ZINC000643548094 373205106 /nfs/dbraw/zinc/20/51/06/373205106.db2.gz MFTOREHGKVTYNJ-WCVJEAGWSA-N 3 1 277.456 2.124 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)[C@H]2CCC[C@@H]21 ZINC000643548094 373205110 /nfs/dbraw/zinc/20/51/10/373205110.db2.gz MFTOREHGKVTYNJ-WCVJEAGWSA-N 3 1 277.456 2.124 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000271909130 373208964 /nfs/dbraw/zinc/20/89/64/373208964.db2.gz XMANEDQSFCKSTR-AWEZNQCLSA-N 2 1 297.406 2.180 20 0 CEADMP CCCNC(=O)C[N@@H+]1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000369032919 373316399 /nfs/dbraw/zinc/31/63/99/373316399.db2.gz UBPRBOJPDXIWBX-AWEZNQCLSA-N 2 1 292.427 2.170 20 0 CEADMP CCCNC(=O)C[N@H+]1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000369032919 373316403 /nfs/dbraw/zinc/31/64/03/373316403.db2.gz UBPRBOJPDXIWBX-AWEZNQCLSA-N 2 1 292.427 2.170 20 0 CEADMP C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272187226 373348319 /nfs/dbraw/zinc/34/83/19/373348319.db2.gz LLOPRQAKLTVYNJ-NVXWUHKLSA-N 2 1 298.434 2.420 20 0 CEADMP C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272187226 373348328 /nfs/dbraw/zinc/34/83/28/373348328.db2.gz LLOPRQAKLTVYNJ-NVXWUHKLSA-N 2 1 298.434 2.420 20 0 CEADMP Cc1n[nH]cc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000369205941 373358695 /nfs/dbraw/zinc/35/86/95/373358695.db2.gz TXWAORNFMCDVAT-UHFFFAOYSA-N 2 1 262.401 2.026 20 0 CEADMP Cc1[nH]ncc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000369205941 373358702 /nfs/dbraw/zinc/35/87/02/373358702.db2.gz TXWAORNFMCDVAT-UHFFFAOYSA-N 2 1 262.401 2.026 20 0 CEADMP Cc1[nH]ncc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000369205941 373358706 /nfs/dbraw/zinc/35/87/06/373358706.db2.gz TXWAORNFMCDVAT-UHFFFAOYSA-N 2 1 262.401 2.026 20 0 CEADMP CC(C)COCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000369524033 373443866 /nfs/dbraw/zinc/44/38/66/373443866.db2.gz YOJZLCKNTCKUTI-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CC(C)COCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000369524033 373443869 /nfs/dbraw/zinc/44/38/69/373443869.db2.gz YOJZLCKNTCKUTI-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CN(CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000131721182 220200960 /nfs/dbraw/zinc/20/09/60/220200960.db2.gz WMXLOFZFBHVRFK-MRXNPFEDSA-N 2 1 275.440 2.396 20 0 CEADMP CN(CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000131721182 220200962 /nfs/dbraw/zinc/20/09/62/220200962.db2.gz WMXLOFZFBHVRFK-MRXNPFEDSA-N 2 1 275.440 2.396 20 0 CEADMP CN(CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000131721182 220200966 /nfs/dbraw/zinc/20/09/66/220200966.db2.gz WMXLOFZFBHVRFK-MRXNPFEDSA-N 2 1 275.440 2.396 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CC=CCC1 ZINC000644529992 373513364 /nfs/dbraw/zinc/51/33/64/373513364.db2.gz WMKBOYWEUYDKHF-FUHWJXTLSA-N 2 1 288.435 2.425 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CC=CCC1 ZINC000644529992 373513371 /nfs/dbraw/zinc/51/33/71/373513371.db2.gz WMKBOYWEUYDKHF-FUHWJXTLSA-N 2 1 288.435 2.425 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370698073 373719150 /nfs/dbraw/zinc/71/91/50/373719150.db2.gz IDZFGFMRHRDDRL-WBVHZDCISA-N 2 1 281.488 2.380 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(-n2ccnc2)c1 ZINC000370653656 373707705 /nfs/dbraw/zinc/70/77/05/373707705.db2.gz TWXXMYBAKVHEAW-YCPHGPKFSA-N 2 1 299.422 2.086 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(OCC2CC2)CC1 ZINC000371196064 373809366 /nfs/dbraw/zinc/80/93/66/373809366.db2.gz BPPPTJKDSDCJIB-OAHLLOKOSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)C[N@H+]1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000371206806 373813589 /nfs/dbraw/zinc/81/35/89/373813589.db2.gz HEQRAVIEAHBHOI-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP COC(=O)[C@@H]1C[N@@H+](CCCCn2ccnc2C)CC1(C)C ZINC000371321122 373841186 /nfs/dbraw/zinc/84/11/86/373841186.db2.gz NZORMCWFJPHJDP-AWEZNQCLSA-N 2 1 293.411 2.103 20 0 CEADMP COC(=O)[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)CC1(C)C ZINC000371321122 373841188 /nfs/dbraw/zinc/84/11/88/373841188.db2.gz NZORMCWFJPHJDP-AWEZNQCLSA-N 2 1 293.411 2.103 20 0 CEADMP COC(=O)[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CC1(C)C ZINC000371321122 373841192 /nfs/dbraw/zinc/84/11/92/373841192.db2.gz NZORMCWFJPHJDP-AWEZNQCLSA-N 2 1 293.411 2.103 20 0 CEADMP CCSc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000274409315 373910769 /nfs/dbraw/zinc/91/07/69/373910769.db2.gz HQGPHDJHYMQSND-HNNXBMFYSA-N 2 1 294.464 2.345 20 0 CEADMP C[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000274976660 374114834 /nfs/dbraw/zinc/11/48/34/374114834.db2.gz YTHQAHJLZRWMTM-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000274976660 374114841 /nfs/dbraw/zinc/11/48/41/374114841.db2.gz YTHQAHJLZRWMTM-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000274976660 374114850 /nfs/dbraw/zinc/11/48/50/374114850.db2.gz YTHQAHJLZRWMTM-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H]([NH2+]Cc1ncn(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000645504465 374085174 /nfs/dbraw/zinc/08/51/74/374085174.db2.gz PLKBRPUBAUVHDC-AWEZNQCLSA-N 2 1 299.422 2.087 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645810854 374198358 /nfs/dbraw/zinc/19/83/58/374198358.db2.gz CJRXORWHUQOMHQ-HOTGVXAUSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000372805182 374201645 /nfs/dbraw/zinc/20/16/45/374201645.db2.gz NUUMQRRZTIDLHG-INIZCTEOSA-N 2 1 298.471 2.236 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)OCCO2 ZINC000275314119 374214078 /nfs/dbraw/zinc/21/40/78/374214078.db2.gz RTDOJMMHFHDSBZ-UKRRQHHQSA-N 2 1 290.407 2.230 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)OCCO2 ZINC000275314119 374214083 /nfs/dbraw/zinc/21/40/83/374214083.db2.gz RTDOJMMHFHDSBZ-UKRRQHHQSA-N 2 1 290.407 2.230 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000275314119 374214088 /nfs/dbraw/zinc/21/40/88/374214088.db2.gz RTDOJMMHFHDSBZ-UKRRQHHQSA-N 2 1 290.407 2.230 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000275314119 374214092 /nfs/dbraw/zinc/21/40/92/374214092.db2.gz RTDOJMMHFHDSBZ-UKRRQHHQSA-N 2 1 290.407 2.230 20 0 CEADMP C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCC=CO2)[C@@H]1c1cccnc1 ZINC000373210488 374294204 /nfs/dbraw/zinc/29/42/04/374294204.db2.gz ZSAPFZSRNVKXSC-ULQDDVLXSA-N 2 1 287.407 2.357 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCC=CO2)[C@@H]1c1cccnc1 ZINC000373210488 374294207 /nfs/dbraw/zinc/29/42/07/374294207.db2.gz ZSAPFZSRNVKXSC-ULQDDVLXSA-N 2 1 287.407 2.357 20 0 CEADMP CCC[C@H](C)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000373214372 374295965 /nfs/dbraw/zinc/29/59/65/374295965.db2.gz DFDOXXUFALZOHJ-JKSUJKDBSA-N 2 1 267.461 2.134 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000334141791 206058100 /nfs/dbraw/zinc/05/81/00/206058100.db2.gz LTBZWRPZYHLDFJ-DGCLKSJQSA-N 2 1 271.364 2.110 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C)O)cc1F ZINC000373853490 374433095 /nfs/dbraw/zinc/43/30/95/374433095.db2.gz FVWFERLQWDKYKE-WDEREUQCSA-N 2 1 277.343 2.351 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000373699563 374405822 /nfs/dbraw/zinc/40/58/22/374405822.db2.gz YFKQSYQVGNOJPK-CWRNSKLLSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1CCC[N@H+]1C1CCN(C[C@](C)(O)C(F)(F)F)CC1 ZINC000373950971 374455427 /nfs/dbraw/zinc/45/54/27/374455427.db2.gz PEGQJPBYVWPSLR-AAEUAGOBSA-N 2 1 294.361 2.248 20 0 CEADMP Cc1nnc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000374075557 374481928 /nfs/dbraw/zinc/48/19/28/374481928.db2.gz VDTUWKUGPBPNHJ-UHFFFAOYSA-N 2 1 280.441 2.154 20 0 CEADMP Cc1nnc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000374075557 374481936 /nfs/dbraw/zinc/48/19/36/374481936.db2.gz VDTUWKUGPBPNHJ-UHFFFAOYSA-N 2 1 280.441 2.154 20 0 CEADMP C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](C)O2 ZINC000374028635 374471400 /nfs/dbraw/zinc/47/14/00/374471400.db2.gz RLFQPVINGGNMGO-LTIDMASMSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@]2(CCO1)C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](C)O2 ZINC000374028635 374471408 /nfs/dbraw/zinc/47/14/08/374471408.db2.gz RLFQPVINGGNMGO-LTIDMASMSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@]2(CCO1)C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H](C)O2 ZINC000374028635 374471413 /nfs/dbraw/zinc/47/14/13/374471413.db2.gz RLFQPVINGGNMGO-LTIDMASMSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@]2(CCO1)C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H](C)O2 ZINC000374028635 374471418 /nfs/dbraw/zinc/47/14/18/374471418.db2.gz RLFQPVINGGNMGO-LTIDMASMSA-N 2 1 296.455 2.129 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334231430 206227409 /nfs/dbraw/zinc/22/74/09/206227409.db2.gz UKESEHFCJHRBRB-KRWDZBQOSA-N 2 1 284.407 2.218 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334231430 206227413 /nfs/dbraw/zinc/22/74/13/206227413.db2.gz UKESEHFCJHRBRB-KRWDZBQOSA-N 2 1 284.407 2.218 20 0 CEADMP CC(C)c1nccn1C[C@@H]1CCC[N@H+]1[C@H]1CCOC1 ZINC000375829251 374679793 /nfs/dbraw/zinc/67/97/93/374679793.db2.gz IVXVPCISZMCLLU-KBPBESRZSA-N 2 1 263.385 2.260 20 0 CEADMP Cc1cc(C)n(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000375835883 374682134 /nfs/dbraw/zinc/68/21/34/374682134.db2.gz AAKXGRXLZKOGHD-GVDBMIGSSA-N 2 1 290.455 2.352 20 0 CEADMP C[N@@H+]1CC[C@@H](C[NH2+]CC2=CCCOC2)[C@@H]1c1cccnc1 ZINC000377295647 374832313 /nfs/dbraw/zinc/83/23/13/374832313.db2.gz ABUDBOAENQFAEM-IRXDYDNUSA-N 2 1 287.407 2.011 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]CC2=CCCOC2)[C@@H]1c1cccnc1 ZINC000377295647 374832317 /nfs/dbraw/zinc/83/23/17/374832317.db2.gz ABUDBOAENQFAEM-IRXDYDNUSA-N 2 1 287.407 2.011 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCOCC2(CCCC2)C1 ZINC000377255128 374823737 /nfs/dbraw/zinc/82/37/37/374823737.db2.gz HOOQWCGAVZPGSF-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCOCC2(CCCC2)C1 ZINC000377255128 374823748 /nfs/dbraw/zinc/82/37/48/374823748.db2.gz HOOQWCGAVZPGSF-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCOCC2(CCCC2)C1 ZINC000377255128 374823754 /nfs/dbraw/zinc/82/37/54/374823754.db2.gz HOOQWCGAVZPGSF-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP COC(=O)c1coc([C@@H](C)NCCC[N@@H+](C)C(C)C)c1 ZINC000278332524 374782109 /nfs/dbraw/zinc/78/21/09/374782109.db2.gz WNQWWOHUISAXII-GFCCVEGCSA-N 2 1 282.384 2.447 20 0 CEADMP Cc1ccncc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000378217335 375046483 /nfs/dbraw/zinc/04/64/83/375046483.db2.gz CYEQQPXPGFNZRI-HNNXBMFYSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ccncc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000378217335 375046492 /nfs/dbraw/zinc/04/64/92/375046492.db2.gz CYEQQPXPGFNZRI-HNNXBMFYSA-N 2 1 259.397 2.308 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000379635073 375154337 /nfs/dbraw/zinc/15/43/37/375154337.db2.gz VYGHAFNADCQCND-KBAYOESNSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCCC[NH2+]C1CC1 ZINC000382562896 375189299 /nfs/dbraw/zinc/18/92/99/375189299.db2.gz YTJHCXSQSFVKHA-MAUKXSAKSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000382562896 375189308 /nfs/dbraw/zinc/18/93/08/375189308.db2.gz YTJHCXSQSFVKHA-MAUKXSAKSA-N 2 1 287.451 2.239 20 0 CEADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000384287302 375209120 /nfs/dbraw/zinc/20/91/20/375209120.db2.gz DAWAWAWKBSZLDH-HYVNUMGLSA-N 2 1 276.424 2.478 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000387695510 375278802 /nfs/dbraw/zinc/27/88/02/375278802.db2.gz WDUVILUBVYDBPE-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000388685111 375294274 /nfs/dbraw/zinc/29/42/74/375294274.db2.gz RKDWZUWHYNLBDL-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000389866493 375307261 /nfs/dbraw/zinc/30/72/61/375307261.db2.gz LXOUIFKLKIEYEG-NJAFHUGGSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000389866493 375307265 /nfs/dbraw/zinc/30/72/65/375307265.db2.gz LXOUIFKLKIEYEG-NJAFHUGGSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000389866491 375308198 /nfs/dbraw/zinc/30/81/98/375308198.db2.gz LXOUIFKLKIEYEG-BPQIPLTHSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000389866491 375308203 /nfs/dbraw/zinc/30/82/03/375308203.db2.gz LXOUIFKLKIEYEG-BPQIPLTHSA-N 2 1 287.451 2.239 20 0 CEADMP C[N@H+](CCN[C@H]1CCCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000386963362 375269309 /nfs/dbraw/zinc/26/93/09/375269309.db2.gz ZNJCQZWDKCONHY-IRXDYDNUSA-N 2 1 275.440 2.226 20 0 CEADMP C[N@@H+](CCN[C@H]1CCCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000386963362 375269315 /nfs/dbraw/zinc/26/93/15/375269315.db2.gz ZNJCQZWDKCONHY-IRXDYDNUSA-N 2 1 275.440 2.226 20 0 CEADMP C[C@@H](O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000280935549 375347053 /nfs/dbraw/zinc/34/70/53/375347053.db2.gz HLPQXKNQGYUXBF-ODIFPOPNSA-N 2 1 276.424 2.400 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(F)ccc2F)CC1(C)C ZINC000282255552 375440757 /nfs/dbraw/zinc/44/07/57/375440757.db2.gz GUEPJKQBDJRJQQ-UHFFFAOYSA-N 2 1 297.393 2.080 20 0 CEADMP Cc1cc(F)ccc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282542725 375512827 /nfs/dbraw/zinc/51/28/27/375512827.db2.gz ZWEWZALWUXVWRU-UHFFFAOYSA-N 2 1 293.430 2.250 20 0 CEADMP Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414182629 375801228 /nfs/dbraw/zinc/80/12/28/375801228.db2.gz NAYLEDZTZOUWDD-DZGCQCFKSA-N 2 1 276.428 2.193 20 0 CEADMP CC(C)C[C@@H](N)c1noc([C@@H]2CCCN2C2CC2)n1 ZINC000414622870 375882727 /nfs/dbraw/zinc/88/27/27/375882727.db2.gz SXRZETMUYPZRCR-NEPJUHHUSA-N 2 1 264.373 2.415 20 0 CEADMP CC[NH+](CC)CCOC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000414760999 375953124 /nfs/dbraw/zinc/95/31/24/375953124.db2.gz ZQXPSWZFLLNFGJ-MRXNPFEDSA-N 3 1 299.503 2.183 20 0 CEADMP CCOC(=O)CC(C)(C)[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414763960 375955198 /nfs/dbraw/zinc/95/51/98/375955198.db2.gz YIOYNDSEZKPOKX-QWHCGFSZSA-N 2 1 270.417 2.038 20 0 CEADMP COc1ccc2oc(C[N@H+](C)C3CC([NH3+])C3)cc2c1 ZINC000414766197 375957042 /nfs/dbraw/zinc/95/70/42/375957042.db2.gz DITFZLIMPAIMCW-UHFFFAOYSA-N 2 1 260.337 2.363 20 0 CEADMP COc1ccc2oc(C[N@@H+](C)C3CC([NH3+])C3)cc2c1 ZINC000414766197 375957045 /nfs/dbraw/zinc/95/70/45/375957045.db2.gz DITFZLIMPAIMCW-UHFFFAOYSA-N 2 1 260.337 2.363 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000414767953 375958992 /nfs/dbraw/zinc/95/89/92/375958992.db2.gz UHWOXCKYAYPUIJ-ULQDDVLXSA-N 2 1 256.393 2.476 20 0 CEADMP CCCOc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1OC ZINC000414767682 375959011 /nfs/dbraw/zinc/95/90/11/375959011.db2.gz GQIWRNAMJZQQDU-UHFFFAOYSA-N 2 1 278.396 2.406 20 0 CEADMP CCCOc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1OC ZINC000414767682 375959022 /nfs/dbraw/zinc/95/90/22/375959022.db2.gz GQIWRNAMJZQQDU-UHFFFAOYSA-N 2 1 278.396 2.406 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC2CC[NH2+]CC2)C1 ZINC000414783123 375967318 /nfs/dbraw/zinc/96/73/18/375967318.db2.gz GIHAKIKTMOVGLM-PBHICJAKSA-N 2 1 273.424 2.164 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000414783123 375967322 /nfs/dbraw/zinc/96/73/22/375967322.db2.gz GIHAKIKTMOVGLM-PBHICJAKSA-N 2 1 273.424 2.164 20 0 CEADMP CC(C)(C)c1ncc(C[NH2+]C2CC[NH2+]CC2)s1 ZINC000414787865 375969976 /nfs/dbraw/zinc/96/99/76/375969976.db2.gz LWSSBSONFNLEST-UHFFFAOYSA-N 2 1 253.415 2.282 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414794777 375978512 /nfs/dbraw/zinc/97/85/12/375978512.db2.gz MDVPPEXUUNKJFQ-HYVNUMGLSA-N 2 1 275.440 2.395 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414704651 375929793 /nfs/dbraw/zinc/92/97/93/375929793.db2.gz KROYRHBQFZGVSL-JYJNAYRXSA-N 3 1 267.461 2.038 20 0 CEADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)CCC[NH3+])CCC2 ZINC000414702246 375930039 /nfs/dbraw/zinc/93/00/39/375930039.db2.gz IDQQHKFCWODIOC-NSHDSACASA-N 2 1 253.415 2.364 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cn3c(n2)CCCC3)CC[NH2+]1 ZINC000414751385 375948867 /nfs/dbraw/zinc/94/88/67/375948867.db2.gz AJZWETQXEOVYPW-KBPBESRZSA-N 2 1 276.428 2.039 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000414796592 375980236 /nfs/dbraw/zinc/98/02/36/375980236.db2.gz OHSDDSRGPOQRQL-AWEZNQCLSA-N 2 1 258.369 2.150 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414756775 375951219 /nfs/dbraw/zinc/95/12/19/375951219.db2.gz KDRYYOXRWGHJIF-BFYDXBDKSA-N 2 1 296.455 2.286 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1cc(Br)cs1)C1CC1 ZINC000414809457 375994835 /nfs/dbraw/zinc/99/48/35/375994835.db2.gz UFBUSEYSNRLCDS-SNVBAGLBSA-N 2 1 275.215 2.338 20 0 CEADMP COc1ccc(OC)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000414809405 375995141 /nfs/dbraw/zinc/99/51/41/375995141.db2.gz GNPZRSJLMULABL-PBWFPOADSA-N 2 1 276.380 2.076 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000414811550 375998455 /nfs/dbraw/zinc/99/84/55/375998455.db2.gz JNOVKMRPQBPGFK-CYBMUJFWSA-N 2 1 266.385 2.311 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000414813568 376000167 /nfs/dbraw/zinc/00/01/67/376000167.db2.gz MPRZFPGLLWDTSU-GFCCVEGCSA-N 2 1 293.436 2.207 20 0 CEADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c1C ZINC000414814494 376002409 /nfs/dbraw/zinc/00/24/09/376002409.db2.gz ZDCYQSNJJAIWHA-BLLLJJGKSA-N 2 1 289.423 2.347 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414825042 376009032 /nfs/dbraw/zinc/00/90/32/376009032.db2.gz RUUXYDWSLNVXHL-UGUYLWEFSA-N 3 1 267.461 2.275 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414961332 376012500 /nfs/dbraw/zinc/01/25/00/376012500.db2.gz YUPVJPPAVHZRRW-KBUPBQIOSA-N 3 1 253.434 2.027 20 0 CEADMP C([C@@H]1CCSC1)[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415041274 376017462 /nfs/dbraw/zinc/01/74/62/376017462.db2.gz LHCRVAWMCJGDDS-MJBXVCDLSA-N 2 1 254.443 2.204 20 0 CEADMP Fc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415061554 376018497 /nfs/dbraw/zinc/01/84/97/376018497.db2.gz YLTGPOWSSFOEMT-UHFFFAOYSA-N 2 1 291.414 2.132 20 0 CEADMP CCc1nc(NCC2(C)CC[NH+](C)CC2)cc(C)[nH+]1 ZINC000286660135 376028005 /nfs/dbraw/zinc/02/80/05/376028005.db2.gz YHFWQYFXXQENEA-UHFFFAOYSA-N 2 1 262.401 2.491 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC000419222522 376401892 /nfs/dbraw/zinc/40/18/92/376401892.db2.gz XIWKOWBLQVSOAB-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOCC2CCC2)C1 ZINC000419222522 376401898 /nfs/dbraw/zinc/40/18/98/376401898.db2.gz XIWKOWBLQVSOAB-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CC[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)OC ZINC000419246786 376413129 /nfs/dbraw/zinc/41/31/29/376413129.db2.gz WNQLKVWFDMWQRV-NUEKZKHPSA-N 2 1 266.429 2.360 20 0 CEADMP CC[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)OC ZINC000419246786 376413131 /nfs/dbraw/zinc/41/31/31/376413131.db2.gz WNQLKVWFDMWQRV-NUEKZKHPSA-N 2 1 266.429 2.360 20 0 CEADMP CC[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)OC ZINC000419246786 376413135 /nfs/dbraw/zinc/41/31/35/376413135.db2.gz WNQLKVWFDMWQRV-NUEKZKHPSA-N 2 1 266.429 2.360 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H](CC(C)C)OC)CC1 ZINC000419221381 376399331 /nfs/dbraw/zinc/39/93/31/376399331.db2.gz VVGOWDUDSXWVFL-OAHLLOKOSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](CC(C)C)OC)CC1 ZINC000419221381 376399338 /nfs/dbraw/zinc/39/93/38/376399338.db2.gz VVGOWDUDSXWVFL-OAHLLOKOSA-N 2 1 256.434 2.464 20 0 CEADMP C[C@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000556822596 376497977 /nfs/dbraw/zinc/49/79/77/376497977.db2.gz IKINIYWLMWAYGQ-QKPAOTATSA-N 2 1 295.471 2.190 20 0 CEADMP CN(Cc1cccc(O)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289797676 376505516 /nfs/dbraw/zinc/50/55/16/376505516.db2.gz SGVNFBPZYNTUMY-YIONKMFJSA-N 2 1 260.381 2.449 20 0 CEADMP C[N@H+](Cc1cccc(O)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289797676 376505523 /nfs/dbraw/zinc/50/55/23/376505523.db2.gz SGVNFBPZYNTUMY-YIONKMFJSA-N 2 1 260.381 2.449 20 0 CEADMP C[N@@H+](Cc1cccc(O)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289797676 376505526 /nfs/dbraw/zinc/50/55/26/376505526.db2.gz SGVNFBPZYNTUMY-YIONKMFJSA-N 2 1 260.381 2.449 20 0 CEADMP C[NH+](Cc1cccc(O)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289797676 376505534 /nfs/dbraw/zinc/50/55/34/376505534.db2.gz SGVNFBPZYNTUMY-YIONKMFJSA-N 2 1 260.381 2.449 20 0 CEADMP C[NH+](Cc1cccc(O)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289797676 376505539 /nfs/dbraw/zinc/50/55/39/376505539.db2.gz SGVNFBPZYNTUMY-YIONKMFJSA-N 2 1 260.381 2.449 20 0 CEADMP O[C@@H](C[NH2+][C@H]1CCCc2ccc(F)cc21)C[NH+]1CCCC1 ZINC000305781554 376488097 /nfs/dbraw/zinc/48/80/97/376488097.db2.gz PBFALMVYLIKYAK-RDJZCZTQSA-N 2 1 292.398 2.249 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000305788621 376492209 /nfs/dbraw/zinc/49/22/09/376492209.db2.gz SOLYGGQJSXJARM-IRXDYDNUSA-N 2 1 276.424 2.430 20 0 CEADMP Cc1ccoc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334316378 206358345 /nfs/dbraw/zinc/35/83/45/206358345.db2.gz OVTYTZWFPPJTPJ-HOTGVXAUSA-N 2 1 291.439 2.046 20 0 CEADMP Cc1ccoc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334316378 206358348 /nfs/dbraw/zinc/35/83/48/206358348.db2.gz OVTYTZWFPPJTPJ-HOTGVXAUSA-N 2 1 291.439 2.046 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000290020217 376605379 /nfs/dbraw/zinc/60/53/79/376605379.db2.gz PHMZACZUUMOKRL-KYJSFNMBSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000290020217 376605384 /nfs/dbraw/zinc/60/53/84/376605384.db2.gz PHMZACZUUMOKRL-KYJSFNMBSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000290020217 376605389 /nfs/dbraw/zinc/60/53/89/376605389.db2.gz PHMZACZUUMOKRL-KYJSFNMBSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290020217 376605392 /nfs/dbraw/zinc/60/53/92/376605392.db2.gz PHMZACZUUMOKRL-KYJSFNMBSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290020217 376605399 /nfs/dbraw/zinc/60/53/99/376605399.db2.gz PHMZACZUUMOKRL-KYJSFNMBSA-N 2 1 288.435 2.320 20 0 CEADMP CN(C[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)C1CC1 ZINC000290129474 376652632 /nfs/dbraw/zinc/65/26/32/376652632.db2.gz ZLPWFGHGJSUBOL-DLBZAZTESA-N 2 1 292.398 2.418 20 0 CEADMP CN(C[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1)C1CC1 ZINC000290129474 376652641 /nfs/dbraw/zinc/65/26/41/376652641.db2.gz ZLPWFGHGJSUBOL-DLBZAZTESA-N 2 1 292.398 2.418 20 0 CEADMP C[C@H](CCCC[NH3+])Nc1[nH+]c2cccc(F)c2n1C ZINC000420263553 376674363 /nfs/dbraw/zinc/67/43/63/376674363.db2.gz UBWLOPIKQIOIQW-SNVBAGLBSA-N 2 1 264.348 2.064 20 0 CEADMP C[N@@H+](CC[C@H](O)c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000290181336 376675284 /nfs/dbraw/zinc/67/52/84/376675284.db2.gz FIUCUVZSDHTHBY-WBVHZDCISA-N 2 1 276.424 2.384 20 0 CEADMP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000311890255 376693547 /nfs/dbraw/zinc/69/35/47/376693547.db2.gz YCAJCOZMLJKRMU-ZJIFWQFVSA-N 2 1 266.429 2.002 20 0 CEADMP Fc1ccc(OCCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000312366596 376710752 /nfs/dbraw/zinc/71/07/52/376710752.db2.gz KJEJVHGJHGWWTE-MRXNPFEDSA-N 2 1 278.371 2.280 20 0 CEADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000313363601 376744583 /nfs/dbraw/zinc/74/45/83/376744583.db2.gz ZCWGHPORSBIPQO-RBSFLKMASA-N 2 1 254.418 2.252 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000421003980 376779283 /nfs/dbraw/zinc/77/92/83/376779283.db2.gz ZQHMSLSRKZMHOG-HNNXBMFYSA-N 2 1 277.412 2.351 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](O)CC12CCC2 ZINC000421003980 376779286 /nfs/dbraw/zinc/77/92/86/376779286.db2.gz ZQHMSLSRKZMHOG-HNNXBMFYSA-N 2 1 277.412 2.351 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnn(C(C)C)c1 ZINC000290456277 376788113 /nfs/dbraw/zinc/78/81/13/376788113.db2.gz MRMUUMWYNKENLD-UHFFFAOYSA-N 2 1 275.400 2.491 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnn(C(C)C)c1 ZINC000290456277 376788117 /nfs/dbraw/zinc/78/81/17/376788117.db2.gz MRMUUMWYNKENLD-UHFFFAOYSA-N 2 1 275.400 2.491 20 0 CEADMP CCc1nn(C)cc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000685462117 542144288 /nfs/dbraw/zinc/14/42/88/542144288.db2.gz CFUTVEGJAOXBEM-UHFFFAOYSA-N 2 1 275.400 2.010 20 0 CEADMP CCc1nn(C)cc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000685462117 542144290 /nfs/dbraw/zinc/14/42/90/542144290.db2.gz CFUTVEGJAOXBEM-UHFFFAOYSA-N 2 1 275.400 2.010 20 0 CEADMP COC1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCCCC1 ZINC000319261230 376815068 /nfs/dbraw/zinc/81/50/68/376815068.db2.gz ZJAFYHKBMMBUKC-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422974112 376898746 /nfs/dbraw/zinc/89/87/46/376898746.db2.gz QLZWOZDARQGFOG-YYIAUSFCSA-N 2 1 279.472 2.229 20 0 CEADMP CCC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422974112 376898751 /nfs/dbraw/zinc/89/87/51/376898751.db2.gz QLZWOZDARQGFOG-YYIAUSFCSA-N 2 1 279.472 2.229 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422974112 376898759 /nfs/dbraw/zinc/89/87/59/376898759.db2.gz QLZWOZDARQGFOG-YYIAUSFCSA-N 2 1 279.472 2.229 20 0 CEADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000328211531 376846037 /nfs/dbraw/zinc/84/60/37/376846037.db2.gz VMTILSHFFIJHBY-GOSISDBHSA-N 2 1 287.451 2.335 20 0 CEADMP C1=CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000422976911 376901485 /nfs/dbraw/zinc/90/14/85/376901485.db2.gz WADYKFVGKCTYKF-CAOSSQGBSA-N 2 1 264.413 2.089 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422891285 376854299 /nfs/dbraw/zinc/85/42/99/376854299.db2.gz VBDIUERGQUIODL-XUWVNRHRSA-N 2 1 267.461 2.499 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422901777 376859115 /nfs/dbraw/zinc/85/91/15/376859115.db2.gz CGUUTSRLBSNPCL-UXLLHSPISA-N 2 1 277.456 2.265 20 0 CEADMP C[C@H]([NH2+]CCc1nc2c(s1)CCCC2)[C@@H]1CCC[NH2+]1 ZINC000422957411 376881818 /nfs/dbraw/zinc/88/18/18/376881818.db2.gz TYTDKEYNMBSQBY-RYUDHWBXSA-N 2 1 279.453 2.295 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000422960977 376886371 /nfs/dbraw/zinc/88/63/71/376886371.db2.gz AHGDQIKEJMSEGZ-WCXIOVBPSA-N 2 1 279.472 2.371 20 0 CEADMP CC[C@H](NC[C@@H](c1ccco1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422965274 376893781 /nfs/dbraw/zinc/89/37/81/376893781.db2.gz OHNFNECNTVOBTE-IHRRRGAJSA-N 2 1 265.401 2.003 20 0 CEADMP Cn1cc(-c2cccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])c2)cn1 ZINC000422966414 376895866 /nfs/dbraw/zinc/89/58/66/376895866.db2.gz RJKVPKZFESRGLP-HZPDHXFCSA-N 2 1 270.380 2.057 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000562478194 376906404 /nfs/dbraw/zinc/90/64/04/376906404.db2.gz CIPQXQXDSXBECO-HZPDHXFCSA-N 2 1 280.387 2.275 20 0 CEADMP C[C@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423057162 376950113 /nfs/dbraw/zinc/95/01/13/376950113.db2.gz ZIZXWVWTAALEEJ-CYGHRXIMSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423087688 376978479 /nfs/dbraw/zinc/97/84/79/376978479.db2.gz OQMMIPPONMYCAI-FQXVJMBOSA-N 2 1 288.435 2.130 20 0 CEADMP CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423057618 376952837 /nfs/dbraw/zinc/95/28/37/376952837.db2.gz HNNXQHBOJJZBAV-IJLUTSLNSA-N 2 1 282.350 2.320 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])C1CC1 ZINC000423064891 376955406 /nfs/dbraw/zinc/95/54/06/376955406.db2.gz SJHAYUGGIODUAL-KZNAEPCWSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423069703 376961306 /nfs/dbraw/zinc/96/13/06/376961306.db2.gz FCTXIBHKUUZABJ-MVJTYMMSSA-N 2 1 290.451 2.346 20 0 CEADMP COc1ccncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423121249 377017491 /nfs/dbraw/zinc/01/74/91/377017491.db2.gz AKJFGIPWAYEVIX-OWCLPIDISA-N 2 1 289.423 2.491 20 0 CEADMP COc1ccncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423121248 377018020 /nfs/dbraw/zinc/01/80/20/377018020.db2.gz AKJFGIPWAYEVIX-HRCADAONSA-N 2 1 289.423 2.491 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)C1C[NH2+]C1 ZINC000423133477 377032551 /nfs/dbraw/zinc/03/25/51/377032551.db2.gz KSDHTUOUFYBUDV-MRVPVSSYSA-N 2 1 274.286 2.125 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)c1c[nH+]ccc1N ZINC000423141709 377040091 /nfs/dbraw/zinc/04/00/91/377040091.db2.gz RKKBNFNHFFWHCX-OLZOCXBDSA-N 2 1 264.417 2.265 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)c1ccccn1)[C@H]1CCCC[NH2+]1 ZINC000423143510 377040903 /nfs/dbraw/zinc/04/09/03/377040903.db2.gz DHXFJDDVKOULNZ-ZIAGYGMSSA-N 2 1 261.413 2.479 20 0 CEADMP C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000423088598 376981496 /nfs/dbraw/zinc/98/14/96/376981496.db2.gz SIUMGSNQRKXJME-BPQIPLTHSA-N 2 1 287.451 2.239 20 0 CEADMP N[C@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423089953 376981977 /nfs/dbraw/zinc/98/19/77/376981977.db2.gz UIBSASSKNJLZQP-HOTGVXAUSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000423089972 376983032 /nfs/dbraw/zinc/98/30/32/376983032.db2.gz WHQOYBAIGWLENJ-JFIYKMOQSA-N 2 1 287.451 2.491 20 0 CEADMP CSC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCC1 ZINC000423091447 376985110 /nfs/dbraw/zinc/98/51/10/376985110.db2.gz XCUXRGHPKLBQQI-MGPQQGTHSA-N 2 1 284.469 2.019 20 0 CEADMP COc1ccc([C@H](CN(C)C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000423099168 376991159 /nfs/dbraw/zinc/99/11/59/376991159.db2.gz FBIXNLYUJHNLNR-WWGRRREGSA-N 2 1 279.428 2.013 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1c[nH+]ccc1N ZINC000423101512 376996384 /nfs/dbraw/zinc/99/63/84/376996384.db2.gz DDIVENDMIJIFSI-STQMWFEESA-N 2 1 262.401 2.019 20 0 CEADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCC1([NH3+])CCCCCC1 ZINC000423205093 377122027 /nfs/dbraw/zinc/12/20/27/377122027.db2.gz VILQDFSTOIZUFR-DZGCQCFKSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000423205093 377122032 /nfs/dbraw/zinc/12/20/32/377122032.db2.gz VILQDFSTOIZUFR-DZGCQCFKSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)C1C[NH2+]C1 ZINC000423154312 377057069 /nfs/dbraw/zinc/05/70/69/377057069.db2.gz ONTDIEPOPUZWNF-HNNXBMFYSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H]([NH2+]CC1(N(C)Cc2ccccc2)CCC1)C1C[NH2+]C1 ZINC000423154312 377057073 /nfs/dbraw/zinc/05/70/73/377057073.db2.gz ONTDIEPOPUZWNF-HNNXBMFYSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H](CCCCO)[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423164006 377068094 /nfs/dbraw/zinc/06/80/94/377068094.db2.gz WKBHAVAZQQNYMW-IJEWVQPXSA-N 2 1 264.413 2.086 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423165441 377069212 /nfs/dbraw/zinc/06/92/12/377069212.db2.gz QATBGDYAHDFSPQ-KGLIPLIRSA-N 2 1 253.434 2.110 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C12CCC2 ZINC000423173056 377082493 /nfs/dbraw/zinc/08/24/93/377082493.db2.gz WUAZWEMRSQAWQC-IGQOVBAYSA-N 2 1 252.402 2.064 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1(CC)CC ZINC000423179407 377092550 /nfs/dbraw/zinc/09/25/50/377092550.db2.gz DBYVGXKXIAPQKC-BFHYXJOUSA-N 2 1 254.418 2.312 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cn1 ZINC000423207069 377124863 /nfs/dbraw/zinc/12/48/63/377124863.db2.gz GOAPYAZWMWVJEX-QWHCGFSZSA-N 2 1 250.390 2.114 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(F)cn1 ZINC000423212973 377129597 /nfs/dbraw/zinc/12/95/97/377129597.db2.gz JKYKDROSQUJEKJ-SRVKXCTJSA-N 2 1 281.375 2.268 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Cl)cn1 ZINC000423218388 377133665 /nfs/dbraw/zinc/13/36/65/377133665.db2.gz VHXWXJSGSRZQMK-QWRGUYRKSA-N 2 1 253.777 2.385 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423227964 377146651 /nfs/dbraw/zinc/14/66/51/377146651.db2.gz XSCAKVFDOZTNMP-XVKPBYJWSA-N 2 1 258.287 2.418 20 0 CEADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423230218 377148881 /nfs/dbraw/zinc/14/88/81/377148881.db2.gz CZSHAVHFLJPQOK-BFHYXJOUSA-N 2 1 254.418 2.312 20 0 CEADMP CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563270879 377150916 /nfs/dbraw/zinc/15/09/16/377150916.db2.gz DRMPQJRACMQNAV-CYBMUJFWSA-N 2 1 290.407 2.106 20 0 CEADMP CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563270879 377150920 /nfs/dbraw/zinc/15/09/20/377150920.db2.gz DRMPQJRACMQNAV-CYBMUJFWSA-N 2 1 290.407 2.106 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C1(CC)CC ZINC000423237858 377157319 /nfs/dbraw/zinc/15/73/19/377157319.db2.gz QGBPKBSNFHDCGO-HZSPNIEDSA-N 2 1 254.418 2.312 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000423258817 377178543 /nfs/dbraw/zinc/17/85/43/377178543.db2.gz COMWIBGBSXQMIT-DZGCQCFKSA-N 2 1 287.411 2.291 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000563352102 377180892 /nfs/dbraw/zinc/18/08/92/377180892.db2.gz BUJYRWXVYYVHQT-MSOLQXFVSA-N 2 1 298.434 2.388 20 0 CEADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423265470 377184650 /nfs/dbraw/zinc/18/46/50/377184650.db2.gz AXUMIFSAHSLQJR-STQMWFEESA-N 2 1 264.344 2.149 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc(OC)c1OC ZINC000423288028 377217889 /nfs/dbraw/zinc/21/78/89/377217889.db2.gz PZJYTNSGPFWYHS-SNVBAGLBSA-N 2 1 282.384 2.100 20 0 CEADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc2c(c1)OCCCO2 ZINC000423337376 377268308 /nfs/dbraw/zinc/26/83/08/377268308.db2.gz YGOWVEXVWDNXMJ-RISCZKNCSA-N 2 1 276.380 2.236 20 0 CEADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccc1OC(F)F ZINC000423304642 377235326 /nfs/dbraw/zinc/23/53/26/377235326.db2.gz OMLAXPOZLCAXET-SECBINFHSA-N 2 1 256.296 2.158 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000423313704 377243121 /nfs/dbraw/zinc/24/31/21/377243121.db2.gz XGCOWBCHTFAGRE-CJNGLKHVSA-N 2 1 255.365 2.355 20 0 CEADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(-n2ccnc2)cc1 ZINC000423315196 377245628 /nfs/dbraw/zinc/24/56/28/377245628.db2.gz IRFGJSODBBYBAN-WBMJQRKESA-N 2 1 270.380 2.260 20 0 CEADMP Cc1nc2c(s1)[C@@H]([NH2+][C@H](C[NH3+])C1CC1)CCC2 ZINC000423278445 377205060 /nfs/dbraw/zinc/20/50/60/377205060.db2.gz PYSPFPMXRXXQHZ-NWDGAFQWSA-N 2 1 251.399 2.156 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]2CCCC[C@@H]12 ZINC000563919132 377318995 /nfs/dbraw/zinc/31/89/95/377318995.db2.gz NDEWSCVFVBPVLL-SIXLDLHFSA-N 2 1 280.456 2.342 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]2CCCC[C@@H]12 ZINC000563919132 377319003 /nfs/dbraw/zinc/31/90/03/377319003.db2.gz NDEWSCVFVBPVLL-SIXLDLHFSA-N 2 1 280.456 2.342 20 0 CEADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@H]2CCCC[C@@H]12 ZINC000563919132 377319009 /nfs/dbraw/zinc/31/90/09/377319009.db2.gz NDEWSCVFVBPVLL-SIXLDLHFSA-N 2 1 280.456 2.342 20 0 CEADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@H]2CCCC[C@@H]12 ZINC000563919132 377319013 /nfs/dbraw/zinc/31/90/13/377319013.db2.gz NDEWSCVFVBPVLL-SIXLDLHFSA-N 2 1 280.456 2.342 20 0 CEADMP CC(=O)Nc1ccccc1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292863967 377320794 /nfs/dbraw/zinc/32/07/94/377320794.db2.gz VPVBZNCSHBKCSN-KRWDZBQOSA-N 2 1 287.407 2.173 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)Cc3ccccc3)C2)C1 ZINC000292903355 377343915 /nfs/dbraw/zinc/34/39/15/377343915.db2.gz GUGYHEYFEXEUFH-ROUUACIJSA-N 2 1 288.435 2.008 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)Cc3ccccc3)C2)C1 ZINC000292903355 377343920 /nfs/dbraw/zinc/34/39/20/377343920.db2.gz GUGYHEYFEXEUFH-ROUUACIJSA-N 2 1 288.435 2.008 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)Cc3ccccc3)C2)C1 ZINC000292903355 377343931 /nfs/dbraw/zinc/34/39/31/377343931.db2.gz GUGYHEYFEXEUFH-ROUUACIJSA-N 2 1 288.435 2.008 20 0 CEADMP C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cnc(N(C)C)n2C)C1 ZINC000425324795 377349074 /nfs/dbraw/zinc/34/90/74/377349074.db2.gz KXPRTVDJKIICIY-QWHCGFSZSA-N 2 1 264.417 2.497 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1ccc(OCc2ccncc2)cc1 ZINC000564969049 377516996 /nfs/dbraw/zinc/51/69/96/377516996.db2.gz PIPVRTBXLOPBKA-UHFFFAOYSA-N 2 1 285.391 2.441 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000565093092 377555340 /nfs/dbraw/zinc/55/53/40/377555340.db2.gz PFJWZCFOMDEIPD-GXFFZTMASA-N 2 1 290.329 2.326 20 0 CEADMP CC(C)n1ccnc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430946856 377571670 /nfs/dbraw/zinc/57/16/70/377571670.db2.gz BWSAQBFNRZOEMH-LBPRGKRZSA-N 2 1 250.390 2.023 20 0 CEADMP Cn1ccnc1[C@H]1CC[N@@H+](CCCCCn2cccn2)C1 ZINC000565156729 377575802 /nfs/dbraw/zinc/57/58/02/377575802.db2.gz KGWSRJFGASQTKH-HNNXBMFYSA-N 2 1 287.411 2.276 20 0 CEADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C[N@H+]1C1CC1 ZINC000431023396 377589605 /nfs/dbraw/zinc/58/96/05/377589605.db2.gz HNGNTBLWGQPOQH-BFJAYTPKSA-N 2 1 293.455 2.026 20 0 CEADMP COc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1Br ZINC000084721683 249301867 /nfs/dbraw/zinc/30/18/67/249301867.db2.gz JHIZYMOVMVWBJQ-UHFFFAOYSA-N 2 1 299.212 2.299 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cn2c1 ZINC000565226388 377617388 /nfs/dbraw/zinc/61/73/88/377617388.db2.gz KOMFUIHGKXEALS-OLZOCXBDSA-N 2 1 258.369 2.002 20 0 CEADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313348402 249394465 /nfs/dbraw/zinc/39/44/65/249394465.db2.gz UDIYDQVFUIGULK-LSDHHAIUSA-N 2 1 266.360 2.326 20 0 CEADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313348402 249394468 /nfs/dbraw/zinc/39/44/68/249394468.db2.gz UDIYDQVFUIGULK-LSDHHAIUSA-N 2 1 266.360 2.326 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000565362343 377649053 /nfs/dbraw/zinc/64/90/53/377649053.db2.gz IBPQWNQJDFYKQM-INIZCTEOSA-N 2 1 287.407 2.493 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000566104859 377725907 /nfs/dbraw/zinc/72/59/07/377725907.db2.gz OUOAIMKHQAXGOH-OAHLLOKOSA-N 2 1 290.411 2.012 20 0 CEADMP COCC[N@H+](C)CCCNc1[nH+]ccc2c(C)cccc21 ZINC000566150623 377736777 /nfs/dbraw/zinc/73/67/77/377736777.db2.gz YEOVQQOFLDYRIE-UHFFFAOYSA-N 2 1 287.407 2.345 20 0 CEADMP COCC[N@@H+](C)CCCNc1[nH+]ccc2c(C)cccc21 ZINC000566150623 377736787 /nfs/dbraw/zinc/73/67/87/377736787.db2.gz YEOVQQOFLDYRIE-UHFFFAOYSA-N 2 1 287.407 2.345 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000435877565 377812938 /nfs/dbraw/zinc/81/29/38/377812938.db2.gz SCYRXXZFSNECPQ-AWEZNQCLSA-N 2 1 276.380 2.204 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000435877565 377812942 /nfs/dbraw/zinc/81/29/42/377812942.db2.gz SCYRXXZFSNECPQ-AWEZNQCLSA-N 2 1 276.380 2.204 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000567502318 377830634 /nfs/dbraw/zinc/83/06/34/377830634.db2.gz GGXALOQTWZXCBM-GFCCVEGCSA-N 2 1 289.427 2.051 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000567502318 377830636 /nfs/dbraw/zinc/83/06/36/377830636.db2.gz GGXALOQTWZXCBM-GFCCVEGCSA-N 2 1 289.427 2.051 20 0 CEADMP C[C@@H](C[NH2+]CC[C@@H]1CCOC1)[N@@H+]1CCCC[C@H]1C ZINC000438087130 377880483 /nfs/dbraw/zinc/88/04/83/377880483.db2.gz JZFXEOFXVTUHQN-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](C[NH2+]CC[C@@H]1CCOC1)[N@H+]1CCCC[C@H]1C ZINC000438087130 377880488 /nfs/dbraw/zinc/88/04/88/377880488.db2.gz JZFXEOFXVTUHQN-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)C[NH3+])cc1 ZINC000441615983 377952963 /nfs/dbraw/zinc/95/29/63/377952963.db2.gz AOLQVPKFWLUUON-AWEZNQCLSA-N 2 1 291.439 2.243 20 0 CEADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442756091 377990550 /nfs/dbraw/zinc/99/05/50/377990550.db2.gz DNISPYRAJWUPEK-WOPDTQHZSA-N 2 1 295.814 2.336 20 0 CEADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442756091 377990555 /nfs/dbraw/zinc/99/05/55/377990555.db2.gz DNISPYRAJWUPEK-WOPDTQHZSA-N 2 1 295.814 2.336 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(C)c1 ZINC000442764491 377994012 /nfs/dbraw/zinc/99/40/12/377994012.db2.gz KUIGKFQODFAYON-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(C)c1 ZINC000442764491 377994019 /nfs/dbraw/zinc/99/40/19/377994019.db2.gz KUIGKFQODFAYON-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000442920390 378018286 /nfs/dbraw/zinc/01/82/86/378018286.db2.gz LGJTYFIXDORWGK-GFCCVEGCSA-N 2 1 258.369 2.124 20 0 CEADMP Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443063231 378032093 /nfs/dbraw/zinc/03/20/93/378032093.db2.gz NCDPLBCCZQQGQH-HNNXBMFYSA-N 2 1 289.423 2.303 20 0 CEADMP CCc1cc(N[C@@H](C)C[NH+]2CCOCC2)c2ccccc2[nH+]1 ZINC000443670829 378069767 /nfs/dbraw/zinc/06/97/67/378069767.db2.gz AXIAOQCKFZSANH-AWEZNQCLSA-N 2 1 299.418 2.352 20 0 CEADMP Cc1cccn2c(C[N@H+]3CCC[C@H](CC[NH3+])C3)cnc12 ZINC000442926721 378020008 /nfs/dbraw/zinc/02/00/08/378020008.db2.gz ZSRURKXZDXTWDX-CQSZACIVSA-N 2 1 272.396 2.204 20 0 CEADMP COCCN(CC[C@@H]1CCC[N@H+]1C)Cc1cncs1 ZINC000447835470 378145753 /nfs/dbraw/zinc/14/57/53/378145753.db2.gz UKOBLNADAGDRRG-ZDUSSCGKSA-N 2 1 283.441 2.076 20 0 CEADMP COCCN(CC[C@H]1CCC[N@H+]1C)Cc1cncs1 ZINC000447835469 378146048 /nfs/dbraw/zinc/14/60/48/378146048.db2.gz UKOBLNADAGDRRG-CYBMUJFWSA-N 2 1 283.441 2.076 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447837703 378146520 /nfs/dbraw/zinc/14/65/20/378146520.db2.gz WNUYSTNTNBVRPB-CQSZACIVSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447837703 378146523 /nfs/dbraw/zinc/14/65/23/378146523.db2.gz WNUYSTNTNBVRPB-CQSZACIVSA-N 2 1 265.401 2.329 20 0 CEADMP CC(C)[C@H](C)[NH+](C)CC(O)C[N@H+](C)[C@@H](C)C(C)C ZINC000447123058 378093731 /nfs/dbraw/zinc/09/37/31/378093731.db2.gz RTXKRXDAQOCMCQ-KBPBESRZSA-N 2 1 258.450 2.300 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC1CC1 ZINC000360956094 284691681 /nfs/dbraw/zinc/69/16/81/284691681.db2.gz LJULCHNCTDSKAS-OFQRWUPVSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H]1C[C@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)CCO1 ZINC000449779480 378229647 /nfs/dbraw/zinc/22/96/47/378229647.db2.gz XODSTMUPBFQCFG-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000450400133 378395940 /nfs/dbraw/zinc/39/59/40/378395940.db2.gz FQYQZCFMAHJIMY-HLLBOEOZSA-N 2 1 276.424 2.035 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000451071890 378697769 /nfs/dbraw/zinc/69/77/69/378697769.db2.gz MYTWSOXBXCKKSP-OWCLPIDISA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000451071890 378697776 /nfs/dbraw/zinc/69/77/76/378697776.db2.gz MYTWSOXBXCKKSP-OWCLPIDISA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000451071890 378697779 /nfs/dbraw/zinc/69/77/79/378697779.db2.gz MYTWSOXBXCKKSP-OWCLPIDISA-N 2 1 267.461 2.274 20 0 CEADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1nc(C)cs1 ZINC000298563207 378767484 /nfs/dbraw/zinc/76/74/84/378767484.db2.gz WERBMPSKQIDQAZ-GFCCVEGCSA-N 2 1 264.398 2.468 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346839149 218032619 /nfs/dbraw/zinc/03/26/19/218032619.db2.gz YGWGXHFPNAPNPZ-UHAAEXCHSA-N 2 1 272.392 2.378 20 0 CEADMP COc1c(C)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000346844192 218034375 /nfs/dbraw/zinc/03/43/75/218034375.db2.gz LDXTUJNQLVMMIF-ARFHVFGLSA-N 2 1 274.408 2.481 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453103447 378804351 /nfs/dbraw/zinc/80/43/51/378804351.db2.gz RVQHTHDOHUMXLX-QGZVFWFLSA-N 2 1 279.472 2.182 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21)C1CC1 ZINC000453395286 378885037 /nfs/dbraw/zinc/88/50/37/378885037.db2.gz HOPSMLVPWGUGJP-BBWFWOEESA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C1CC1 ZINC000453395286 378885042 /nfs/dbraw/zinc/88/50/42/378885042.db2.gz HOPSMLVPWGUGJP-BBWFWOEESA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C1CC1 ZINC000453395286 378885045 /nfs/dbraw/zinc/88/50/45/378885045.db2.gz HOPSMLVPWGUGJP-BBWFWOEESA-N 3 1 279.472 2.323 20 0 CEADMP CN1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)[C@@H]2CCC[C@@H]21 ZINC000453395286 378885049 /nfs/dbraw/zinc/88/50/49/378885049.db2.gz HOPSMLVPWGUGJP-BBWFWOEESA-N 2 1 279.472 2.323 20 0 CEADMP CN1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H]2CCC[C@@H]21 ZINC000453395286 378885054 /nfs/dbraw/zinc/88/50/54/378885054.db2.gz HOPSMLVPWGUGJP-BBWFWOEESA-N 2 1 279.472 2.323 20 0 CEADMP CC[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@H]1CCOC1 ZINC000453399327 378886959 /nfs/dbraw/zinc/88/69/59/378886959.db2.gz NQJJUTLEAIQTEA-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@H]1CCOC1 ZINC000453399327 378886961 /nfs/dbraw/zinc/88/69/61/378886961.db2.gz NQJJUTLEAIQTEA-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453409526 378892969 /nfs/dbraw/zinc/89/29/69/378892969.db2.gz UNWSJGIKWJMKHL-CQSZACIVSA-N 2 1 264.417 2.126 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)nc1 ZINC000453433611 378904141 /nfs/dbraw/zinc/90/41/41/378904141.db2.gz SRQSZGMPKHMSSR-BRWVUGGUSA-N 2 1 273.424 2.395 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnc(-c3ccncc3)s2)CC[C@H]1[NH3+] ZINC000346997995 218084942 /nfs/dbraw/zinc/08/49/42/218084942.db2.gz DYZWKGGWJHTRTL-SMDDNHRTSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccncc3)s2)CC[C@H]1[NH3+] ZINC000346997995 218084945 /nfs/dbraw/zinc/08/49/45/218084945.db2.gz DYZWKGGWJHTRTL-SMDDNHRTSA-N 2 1 288.420 2.374 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC000347035612 218101377 /nfs/dbraw/zinc/10/13/77/218101377.db2.gz QLIMFHFXVGXYJB-MRXNPFEDSA-N 2 1 295.402 2.153 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC000347035612 218101378 /nfs/dbraw/zinc/10/13/78/218101378.db2.gz QLIMFHFXVGXYJB-MRXNPFEDSA-N 2 1 295.402 2.153 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC2CCC2)C[C@@H]1C ZINC000347053952 218106369 /nfs/dbraw/zinc/10/63/69/218106369.db2.gz LNQWPSJMAFEUMZ-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC2CCC2)C[C@@H]1C ZINC000347053952 218106370 /nfs/dbraw/zinc/10/63/70/218106370.db2.gz LNQWPSJMAFEUMZ-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC2CCC2)C[C@@H]1C ZINC000347053952 218106371 /nfs/dbraw/zinc/10/63/71/218106371.db2.gz LNQWPSJMAFEUMZ-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+](C)C3CC[NH2+]CC3)cnc21 ZINC000347093142 218118768 /nfs/dbraw/zinc/11/87/68/218118768.db2.gz GRMGCHCWPUNQPA-UHFFFAOYSA-N 2 1 287.411 2.196 20 0 CEADMP CC(C)n1ncc2cc(C[N@@H+](C)C3CC[NH2+]CC3)cnc21 ZINC000347093142 218118770 /nfs/dbraw/zinc/11/87/70/218118770.db2.gz GRMGCHCWPUNQPA-UHFFFAOYSA-N 2 1 287.411 2.196 20 0 CEADMP C[N@@H+](Cc1cccc2c[nH]nc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347106959 218123022 /nfs/dbraw/zinc/12/30/22/218123022.db2.gz NZYKIBCTJJIOEE-YIONKMFJSA-N 2 1 270.380 2.278 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000347074781 218113443 /nfs/dbraw/zinc/11/34/43/218113443.db2.gz UAQQLWQAVABZLO-MRXNPFEDSA-N 2 1 292.423 2.143 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000347074781 218113446 /nfs/dbraw/zinc/11/34/46/218113446.db2.gz UAQQLWQAVABZLO-MRXNPFEDSA-N 2 1 292.423 2.143 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000347137423 218134491 /nfs/dbraw/zinc/13/44/91/218134491.db2.gz UJIIIGICFUPNMO-YOEHRIQHSA-N 2 1 284.407 2.101 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000347137423 218134493 /nfs/dbraw/zinc/13/44/93/218134493.db2.gz UJIIIGICFUPNMO-YOEHRIQHSA-N 2 1 284.407 2.101 20 0 CEADMP CC[N@H+]1CC[C@H](NCC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC000347189971 218150155 /nfs/dbraw/zinc/15/01/55/218150155.db2.gz AXNZQRYKZQUCSD-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1CN[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000513076385 379124567 /nfs/dbraw/zinc/12/45/67/379124567.db2.gz OTLGHPIFUPKDSC-YCPHGPKFSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000513076385 379124578 /nfs/dbraw/zinc/12/45/78/379124578.db2.gz OTLGHPIFUPKDSC-YCPHGPKFSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000513076385 379124583 /nfs/dbraw/zinc/12/45/83/379124583.db2.gz OTLGHPIFUPKDSC-YCPHGPKFSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000513076385 379124591 /nfs/dbraw/zinc/12/45/91/379124591.db2.gz OTLGHPIFUPKDSC-YCPHGPKFSA-N 2 1 265.445 2.076 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000180458850 542264304 /nfs/dbraw/zinc/26/43/04/542264304.db2.gz SNNXSRRTQLEEAC-TZMCWYRMSA-N 2 1 264.417 2.489 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000180458850 542264310 /nfs/dbraw/zinc/26/43/10/542264310.db2.gz SNNXSRRTQLEEAC-TZMCWYRMSA-N 2 1 264.417 2.489 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+](CC)Cc1ccc(Cl)cc1 ZINC000514947457 379168560 /nfs/dbraw/zinc/16/85/60/379168560.db2.gz ZGYVSHPUYVZBLD-HNNXBMFYSA-N 2 1 284.831 2.475 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](CC)Cc1ccc(Cl)cc1 ZINC000514947457 379168567 /nfs/dbraw/zinc/16/85/67/379168567.db2.gz ZGYVSHPUYVZBLD-HNNXBMFYSA-N 2 1 284.831 2.475 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cncs1 ZINC000278868952 194188957 /nfs/dbraw/zinc/18/89/57/194188957.db2.gz BNRCELVSMJPWDY-WDEREUQCSA-N 2 1 262.382 2.253 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000516089762 379256758 /nfs/dbraw/zinc/25/67/58/379256758.db2.gz WIHIZHXMBQFAPZ-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP CCC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1nnc2ccccn21 ZINC000347654312 218307363 /nfs/dbraw/zinc/30/73/63/218307363.db2.gz RTYUWCILZUTRJU-CQSZACIVSA-N 2 1 298.394 2.365 20 0 CEADMP Cc1ccc(C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)C)cc1 ZINC000305144968 379658648 /nfs/dbraw/zinc/65/86/48/379658648.db2.gz RLHFOCNAPVGBSH-IRXDYDNUSA-N 2 1 278.440 2.074 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000457112376 379673032 /nfs/dbraw/zinc/67/30/32/379673032.db2.gz JEYJEKDLVLRXAS-MRXNPFEDSA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2cccc(C[NH+](C)C)c2)C1 ZINC000347717056 218332131 /nfs/dbraw/zinc/33/21/31/218332131.db2.gz JAZZZOLTZIJKFZ-RHSMWYFYSA-N 2 1 275.440 2.178 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2cccc(C[NH+](C)C)c2)C1 ZINC000347717056 218332134 /nfs/dbraw/zinc/33/21/34/218332134.db2.gz JAZZZOLTZIJKFZ-RHSMWYFYSA-N 2 1 275.440 2.178 20 0 CEADMP C(C[C@H]1CCCOC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000527925763 379847996 /nfs/dbraw/zinc/84/79/96/379847996.db2.gz NKELLDDJVMVIQY-CYBMUJFWSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1cnccc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000528517158 380002814 /nfs/dbraw/zinc/00/28/14/380002814.db2.gz MYNNKNKHCYNJAP-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cnccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000528517158 380002817 /nfs/dbraw/zinc/00/28/17/380002817.db2.gz MYNNKNKHCYNJAP-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cnccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000528517158 380002820 /nfs/dbraw/zinc/00/28/20/380002820.db2.gz MYNNKNKHCYNJAP-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cnccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000528517158 380002825 /nfs/dbraw/zinc/00/28/25/380002825.db2.gz MYNNKNKHCYNJAP-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP COCC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCO[C@H]1C ZINC000489434504 380189275 /nfs/dbraw/zinc/18/92/75/380189275.db2.gz SVZZSCLQTSVSAA-HOCLYGCPSA-N 2 1 295.427 2.098 20 0 CEADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCO[C@H]1C ZINC000489434504 380189281 /nfs/dbraw/zinc/18/92/81/380189281.db2.gz SVZZSCLQTSVSAA-HOCLYGCPSA-N 2 1 295.427 2.098 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000334320971 380271831 /nfs/dbraw/zinc/27/18/31/380271831.db2.gz HJBTXOQPLQDZEK-IDWGSYCQSA-N 2 1 250.308 2.257 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000334320971 380271835 /nfs/dbraw/zinc/27/18/35/380271835.db2.gz HJBTXOQPLQDZEK-IDWGSYCQSA-N 2 1 250.308 2.257 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000334365388 380308970 /nfs/dbraw/zinc/30/89/70/380308970.db2.gz OBVVZQCPIMSDSX-UONOGXRCSA-N 2 1 254.418 2.264 20 0 CEADMP COc1ccsc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334451391 380430779 /nfs/dbraw/zinc/43/07/79/380430779.db2.gz VSIMWYGHEJKWSA-AWEZNQCLSA-N 2 1 266.410 2.332 20 0 CEADMP COc1ccsc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334451391 380430785 /nfs/dbraw/zinc/43/07/85/380430785.db2.gz VSIMWYGHEJKWSA-AWEZNQCLSA-N 2 1 266.410 2.332 20 0 CEADMP C[C@H](CCC1CC1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000186331852 270249210 /nfs/dbraw/zinc/24/92/10/270249210.db2.gz XUNBNFFMNYKMQQ-GDBMZVCRSA-N 2 1 268.445 2.392 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)nc1 ZINC000334442894 380419935 /nfs/dbraw/zinc/41/99/35/380419935.db2.gz LVUHDOJQXIHCMI-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)nc1 ZINC000334442894 380419941 /nfs/dbraw/zinc/41/99/41/380419941.db2.gz LVUHDOJQXIHCMI-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)nc1 ZINC000334442894 380419949 /nfs/dbraw/zinc/41/99/49/380419949.db2.gz LVUHDOJQXIHCMI-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)nc1 ZINC000334442894 380419954 /nfs/dbraw/zinc/41/99/54/380419954.db2.gz LVUHDOJQXIHCMI-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000359763702 220276140 /nfs/dbraw/zinc/27/61/40/220276140.db2.gz PBBYUQFUMPZLEA-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCCNC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000492772869 380684530 /nfs/dbraw/zinc/68/45/30/380684530.db2.gz RNVQENNXNDVKTD-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCCNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000492772869 380684535 /nfs/dbraw/zinc/68/45/35/380684535.db2.gz RNVQENNXNDVKTD-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CCCNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000492772869 380684541 /nfs/dbraw/zinc/68/45/41/380684541.db2.gz RNVQENNXNDVKTD-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCCNC(=O)OC(C)(C)C)CC[NH+]1C ZINC000492772869 380684546 /nfs/dbraw/zinc/68/45/46/380684546.db2.gz RNVQENNXNDVKTD-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP CCC[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000554544957 380780059 /nfs/dbraw/zinc/78/00/59/380780059.db2.gz RTUQYLWKGUIDLY-HOTGVXAUSA-N 2 1 267.461 2.275 20 0 CEADMP C[N@H+]1CCN(CC[C@H]2CCC[NH2+]C2)C2(CCCCC2)C1 ZINC000334786591 207074274 /nfs/dbraw/zinc/07/42/74/207074274.db2.gz WEDJGXORLISJTG-MRXNPFEDSA-N 2 1 279.472 2.326 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)sc1Br ZINC000334833878 207158075 /nfs/dbraw/zinc/15/80/75/207158075.db2.gz UQZWNURCAMELQX-MYJAWHEDSA-N 2 1 287.226 2.126 20 0 CEADMP Cc1ccn2c(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)cnc2c1 ZINC000334842610 207171829 /nfs/dbraw/zinc/17/18/29/207171829.db2.gz MSJRKBGHIHRQAC-CQSZACIVSA-N 2 1 272.396 2.120 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000334930786 207311677 /nfs/dbraw/zinc/31/16/77/207311677.db2.gz LXTYCHGJKGAHFP-UHFFFAOYSA-N 2 1 287.407 2.221 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000335249983 208025603 /nfs/dbraw/zinc/02/56/03/208025603.db2.gz OWFHGGOCPQMTDO-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000335249983 208025607 /nfs/dbraw/zinc/02/56/07/208025607.db2.gz OWFHGGOCPQMTDO-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000335249983 208025614 /nfs/dbraw/zinc/02/56/14/208025614.db2.gz OWFHGGOCPQMTDO-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(C)c1 ZINC000335253182 208034460 /nfs/dbraw/zinc/03/44/60/208034460.db2.gz PZWRYEYTDCVQMV-QGZVFWFLSA-N 2 1 288.435 2.491 20 0 CEADMP Cc1ccc(F)c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000335255450 208038095 /nfs/dbraw/zinc/03/80/95/208038095.db2.gz LLNMTYYMAABSLP-OAHLLOKOSA-N 2 1 292.398 2.321 20 0 CEADMP Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000335344765 208238337 /nfs/dbraw/zinc/23/83/37/208238337.db2.gz YEBGRKJJJQYFAL-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000335344765 208238343 /nfs/dbraw/zinc/23/83/43/208238343.db2.gz YEBGRKJJJQYFAL-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000335344765 208238345 /nfs/dbraw/zinc/23/83/45/208238345.db2.gz YEBGRKJJJQYFAL-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000335344765 208238349 /nfs/dbraw/zinc/23/83/49/208238349.db2.gz YEBGRKJJJQYFAL-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1C ZINC000335371960 208302868 /nfs/dbraw/zinc/30/28/68/208302868.db2.gz RHRXAMVWOSEMGX-HUUCEWRRSA-N 2 1 260.381 2.045 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1C ZINC000335371960 208302874 /nfs/dbraw/zinc/30/28/74/208302874.db2.gz RHRXAMVWOSEMGX-HUUCEWRRSA-N 2 1 260.381 2.045 20 0 CEADMP OC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000386154816 542369277 /nfs/dbraw/zinc/36/92/77/542369277.db2.gz JMGJLCCZVRRRJM-XHSDSOJGSA-N 2 1 266.429 2.144 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c(C(=O)OC)c2)C[C@@H]1C ZINC000353746591 220297036 /nfs/dbraw/zinc/29/70/36/220297036.db2.gz MDYKVAGOTZFPHW-GXTWGEPZSA-N 2 1 293.411 2.106 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c(C(=O)OC)c2)C[C@@H]1C ZINC000353746591 220297039 /nfs/dbraw/zinc/29/70/39/220297039.db2.gz MDYKVAGOTZFPHW-GXTWGEPZSA-N 2 1 293.411 2.106 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]c(C(=O)OC)c2)C[C@@H]1C ZINC000353746591 220297043 /nfs/dbraw/zinc/29/70/43/220297043.db2.gz MDYKVAGOTZFPHW-GXTWGEPZSA-N 2 1 293.411 2.106 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]c(C(=O)OC)c2)C[C@@H]1C ZINC000353746591 220297048 /nfs/dbraw/zinc/29/70/48/220297048.db2.gz MDYKVAGOTZFPHW-GXTWGEPZSA-N 2 1 293.411 2.106 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000353750895 220303600 /nfs/dbraw/zinc/30/36/00/220303600.db2.gz ORRRKQKMZBUQTQ-CZUORRHYSA-N 2 1 289.423 2.090 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000353750895 220303603 /nfs/dbraw/zinc/30/36/03/220303603.db2.gz ORRRKQKMZBUQTQ-CZUORRHYSA-N 2 1 289.423 2.090 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000353750895 220303605 /nfs/dbraw/zinc/30/36/05/220303605.db2.gz ORRRKQKMZBUQTQ-CZUORRHYSA-N 2 1 289.423 2.090 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000353750895 220303609 /nfs/dbraw/zinc/30/36/09/220303609.db2.gz ORRRKQKMZBUQTQ-CZUORRHYSA-N 2 1 289.423 2.090 20 0 CEADMP CCCCOCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000355346437 262363286 /nfs/dbraw/zinc/36/32/86/262363286.db2.gz UUOKNZNYHZQVMQ-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CCCCOCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000355346437 262363288 /nfs/dbraw/zinc/36/32/88/262363288.db2.gz UUOKNZNYHZQVMQ-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP C(COCC1CCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000313254124 533367382 /nfs/dbraw/zinc/36/73/82/533367382.db2.gz OHEZAXCNXVVKRL-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]CC1=Cc2ccccc2OC1 ZINC000263799275 131334187 /nfs/dbraw/zinc/33/41/87/131334187.db2.gz JJMRVWIEUBKVTB-UHFFFAOYSA-N 2 1 269.348 2.257 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H]1CCc2ccccc2NC1=O ZINC000300156113 394453278 /nfs/dbraw/zinc/45/32/78/394453278.db2.gz MFBMLSLCZNRPPI-HOCLYGCPSA-N 2 1 289.423 2.245 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H]1CCc2ccccc2NC1=O ZINC000300156113 394453279 /nfs/dbraw/zinc/45/32/79/394453279.db2.gz MFBMLSLCZNRPPI-HOCLYGCPSA-N 2 1 289.423 2.245 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000222247606 394462833 /nfs/dbraw/zinc/46/28/33/394462833.db2.gz IYLIWKTWDJNYNZ-RDBSUJKOSA-N 2 1 254.418 2.121 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000226396637 394470759 /nfs/dbraw/zinc/47/07/59/394470759.db2.gz JMZFLEVPAIKDSQ-OFQRWUPVSA-N 2 1 291.439 2.169 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCOCC1CC1 ZINC000036908346 394495666 /nfs/dbraw/zinc/49/56/66/394495666.db2.gz WMLBMJCYDJTXSS-IPYPFGDCSA-N 2 1 254.418 2.121 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](CO)CCC(C)(C)C)CC1 ZINC000355683365 394500808 /nfs/dbraw/zinc/50/08/08/394500808.db2.gz RZYHDJZTQABENF-AWEZNQCLSA-N 2 1 256.434 2.248 20 0 CEADMP CC1CCC2(CC1)OC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)O2 ZINC000245555518 394501849 /nfs/dbraw/zinc/50/18/49/394501849.db2.gz CNEPAYBXDJGXOI-IEKCDTDMSA-N 2 1 296.455 2.381 20 0 CEADMP Cc1c(Cl)c(C[NH2+]CC2(C)CC[NH+](C)CC2)nn1C ZINC000421337420 394502530 /nfs/dbraw/zinc/50/25/30/394502530.db2.gz CEORURPKKMHHCH-UHFFFAOYSA-N 2 1 284.835 2.203 20 0 CEADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]2CCCO[C@H]21 ZINC000251141839 394566601 /nfs/dbraw/zinc/56/66/01/394566601.db2.gz JFSSKDOJBJQBQS-OXGONZEZSA-N 2 1 278.440 2.406 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070171810 394586078 /nfs/dbraw/zinc/58/60/78/394586078.db2.gz ZDCRUBDXNMDMGD-IUODEOHRSA-N 2 1 275.396 2.204 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC)C23CCC3)CC1 ZINC000308372831 394526945 /nfs/dbraw/zinc/52/69/45/394526945.db2.gz RHECRUBMBVKQSN-KGLIPLIRSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309980290 394534048 /nfs/dbraw/zinc/53/40/48/394534048.db2.gz UPGQWEVLYRQXPG-WBVHZDCISA-N 3 1 275.440 2.226 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309980290 394534051 /nfs/dbraw/zinc/53/40/51/394534051.db2.gz UPGQWEVLYRQXPG-WBVHZDCISA-N 2 1 275.440 2.226 20 0 CEADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000310006332 394534612 /nfs/dbraw/zinc/53/46/12/394534612.db2.gz HVPWLLIZJLXYKX-CYBMUJFWSA-N 2 1 299.459 2.364 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)[C@H]1C ZINC000248410226 394539786 /nfs/dbraw/zinc/53/97/86/394539786.db2.gz XSFIIIMYCIIQIT-IKGGRYGDSA-N 2 1 281.488 2.428 20 0 CEADMP CCOC(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)OCC ZINC000248597151 394544081 /nfs/dbraw/zinc/54/40/81/394544081.db2.gz AROSGALKUHIMKI-GOEBONIOSA-N 2 1 296.455 2.334 20 0 CEADMP CCOC(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)OCC ZINC000248597151 394544083 /nfs/dbraw/zinc/54/40/83/394544083.db2.gz AROSGALKUHIMKI-GOEBONIOSA-N 2 1 296.455 2.334 20 0 CEADMP CCOC(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)OCC ZINC000248597151 394544088 /nfs/dbraw/zinc/54/40/88/394544088.db2.gz AROSGALKUHIMKI-GOEBONIOSA-N 2 1 296.455 2.334 20 0 CEADMP COC1([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)CCCC1 ZINC000421837463 394611736 /nfs/dbraw/zinc/61/17/36/394611736.db2.gz QXAQEQFHVHKBNT-CYBMUJFWSA-N 2 1 252.402 2.186 20 0 CEADMP COCC[N@@H+](CCc1ccccc1)CC1CC[NH2+]CC1 ZINC000262114271 394613774 /nfs/dbraw/zinc/61/37/74/394613774.db2.gz BHLFPMVONQMMOD-UHFFFAOYSA-N 2 1 276.424 2.177 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCOC1 ZINC000356870763 394637447 /nfs/dbraw/zinc/63/74/47/394637447.db2.gz OKKCILRNSSHIPN-OLZOCXBDSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356879447 394640930 /nfs/dbraw/zinc/64/09/30/394640930.db2.gz TXIHRQGTAPYZKG-VNHYZAJKSA-N 2 1 265.401 2.232 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCCOC1 ZINC000356905218 394648287 /nfs/dbraw/zinc/64/82/87/394648287.db2.gz URWFVXAUPSBXSG-HZPDHXFCSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(N2CCCC2=O)c1 ZINC000422706046 394729898 /nfs/dbraw/zinc/72/98/98/394729898.db2.gz SSNCLFKFDDHVAT-CHWSQXEVSA-N 2 1 287.407 2.072 20 0 CEADMP C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000422710264 394732969 /nfs/dbraw/zinc/73/29/69/394732969.db2.gz FNFJKMBGSDGZIF-VNHYZAJKSA-N 2 1 293.480 2.225 20 0 CEADMP C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000422710264 394732972 /nfs/dbraw/zinc/73/29/72/394732972.db2.gz FNFJKMBGSDGZIF-VNHYZAJKSA-N 2 1 293.480 2.225 20 0 CEADMP CC(C)(C)N1CCC([NH2+][C@H]2CCc3c[nH]nc3C2)CC1 ZINC000334502565 394694021 /nfs/dbraw/zinc/69/40/21/394694021.db2.gz CSDWAVWOWTXWNH-AWEZNQCLSA-N 2 1 276.428 2.120 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(OC)nc2)C1 ZINC000414079177 394696880 /nfs/dbraw/zinc/69/68/80/394696880.db2.gz SNKBNWWQJIQPNL-GOEBONIOSA-N 2 1 291.439 2.343 20 0 CEADMP CC(C)[C@@H]1CN(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000357261405 394697706 /nfs/dbraw/zinc/69/77/06/394697706.db2.gz QQJGSNJVGOFEMH-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000357261405 394697708 /nfs/dbraw/zinc/69/77/08/394697708.db2.gz QQJGSNJVGOFEMH-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000357261405 394697711 /nfs/dbraw/zinc/69/77/11/394697711.db2.gz QQJGSNJVGOFEMH-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)c1cc(N[C@H](C)C[N@H+](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000357586491 394700960 /nfs/dbraw/zinc/70/09/60/394700960.db2.gz YMVDBXGUIBUNQG-CYBMUJFWSA-N 2 1 293.459 2.229 20 0 CEADMP CC(C)c1cc(N[C@H](C)C[N@@H+](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000357586491 394700964 /nfs/dbraw/zinc/70/09/64/394700964.db2.gz YMVDBXGUIBUNQG-CYBMUJFWSA-N 2 1 293.459 2.229 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCc2c1cccc2F ZINC000268863235 394701898 /nfs/dbraw/zinc/70/18/98/394701898.db2.gz ZOKVQYICPCQOQY-INIZCTEOSA-N 2 1 280.387 2.371 20 0 CEADMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000268942207 394703004 /nfs/dbraw/zinc/70/30/04/394703004.db2.gz AMXAPVCDYGJSOK-UAGQMJEPSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000268942207 394703005 /nfs/dbraw/zinc/70/30/05/394703005.db2.gz AMXAPVCDYGJSOK-UAGQMJEPSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269017039 394708017 /nfs/dbraw/zinc/70/80/17/394708017.db2.gz OOKZZUVVWGXRQL-VYDXJSESSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269017039 394708019 /nfs/dbraw/zinc/70/80/19/394708019.db2.gz OOKZZUVVWGXRQL-VYDXJSESSA-N 2 1 276.424 2.400 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC(C)(C)CC[NH3+] ZINC000422592619 394716012 /nfs/dbraw/zinc/71/60/12/394716012.db2.gz FBELVLLRKCJJDD-CQSZACIVSA-N 2 1 298.475 2.068 20 0 CEADMP CCC[C@@]1(C)CCC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414697182 394747960 /nfs/dbraw/zinc/74/79/60/394747960.db2.gz IFFNEOCFYFOZCG-WBVHZDCISA-N 2 1 295.471 2.086 20 0 CEADMP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422641614 394723872 /nfs/dbraw/zinc/72/38/72/394723872.db2.gz YBRINNCXUWLIIW-JONQDZQNSA-N 2 1 297.487 2.185 20 0 CEADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422641614 394723875 /nfs/dbraw/zinc/72/38/75/394723875.db2.gz YBRINNCXUWLIIW-JONQDZQNSA-N 2 1 297.487 2.185 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000422693501 394724466 /nfs/dbraw/zinc/72/44/66/394724466.db2.gz LXGAHJCZAZDWHP-YGRLFVJLSA-N 2 1 254.324 2.095 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)[C@H]2CCC[C@H]21 ZINC000414189047 394726002 /nfs/dbraw/zinc/72/60/02/394726002.db2.gz QWYDWRUWKBJNIC-IXDOHACOSA-N 3 1 284.407 2.297 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422746402 394755687 /nfs/dbraw/zinc/75/56/87/394755687.db2.gz WJIKOVHZIQRYEK-OAGGEKHMSA-N 3 1 267.461 2.214 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422746402 394755689 /nfs/dbraw/zinc/75/56/89/394755689.db2.gz WJIKOVHZIQRYEK-OAGGEKHMSA-N 2 1 267.461 2.214 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422746402 394755692 /nfs/dbraw/zinc/75/56/92/394755692.db2.gz WJIKOVHZIQRYEK-OAGGEKHMSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422755314 394761882 /nfs/dbraw/zinc/76/18/82/394761882.db2.gz BBZDFXKICBDULP-SWLSCSKDSA-N 2 1 262.372 2.445 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H]3CCC[C@@H]3C[NH3+])CC2)[nH+]1 ZINC000422760088 394764453 /nfs/dbraw/zinc/76/44/53/394764453.db2.gz LOJBASKZQBIVBE-ZBFHGGJFSA-N 3 1 288.439 2.076 20 0 CEADMP Cn1cnc2cc(C[NH2+]CC3([NH3+])CCCCC3)ccc21 ZINC000414850477 394770483 /nfs/dbraw/zinc/77/04/83/394770483.db2.gz ZDMRUAHWDQSMJL-UHFFFAOYSA-N 2 1 272.396 2.325 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H](C)CCC[NH3+])CC2)[nH+]1 ZINC000422768879 394771308 /nfs/dbraw/zinc/77/13/08/394771308.db2.gz VARYNIPLNDOJQW-ZDUSSCGKSA-N 3 1 276.428 2.076 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000414855586 394772198 /nfs/dbraw/zinc/77/21/98/394772198.db2.gz XDBJVSCNGUXCHM-OAHLLOKOSA-N 2 1 290.407 2.455 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(-n3cncn3)cc2)CCCCCC1 ZINC000414856511 394773655 /nfs/dbraw/zinc/77/36/55/394773655.db2.gz ARSJFORAPVQAGU-UHFFFAOYSA-N 2 1 299.422 2.409 20 0 CEADMP C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1c[nH+]ccc1N ZINC000422773940 394774442 /nfs/dbraw/zinc/77/44/42/394774442.db2.gz VJZYFXCECXETIH-ZIAGYGMSSA-N 2 1 276.428 2.409 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1cc(-c2ccncc2)ccc1OC ZINC000414858207 394774538 /nfs/dbraw/zinc/77/45/38/394774538.db2.gz IDDZHKPFZAQDDZ-UHFFFAOYSA-N 2 1 285.391 2.456 20 0 CEADMP CC(C)C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000120289631 394776927 /nfs/dbraw/zinc/77/69/27/394776927.db2.gz IWYPUJCJXSCWIE-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000414865788 394777735 /nfs/dbraw/zinc/77/77/35/394777735.db2.gz ZUMLNDDLNUXIBQ-ZBFHGGJFSA-N 2 1 284.407 2.350 20 0 CEADMP CCc1cc(N2CC[C@H](C[N@@H+](C)CC)C2)nc(C)[nH+]1 ZINC000272854127 394778456 /nfs/dbraw/zinc/77/84/56/394778456.db2.gz KTECYICHHUHJMD-CYBMUJFWSA-N 2 1 262.401 2.125 20 0 CEADMP CCc1cc(N2CC[C@H](C[N@H+](C)CC)C2)nc(C)[nH+]1 ZINC000272854127 394778459 /nfs/dbraw/zinc/77/84/59/394778459.db2.gz KTECYICHHUHJMD-CYBMUJFWSA-N 2 1 262.401 2.125 20 0 CEADMP C[C@H]([NH2+]CCCOc1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000422782060 394780528 /nfs/dbraw/zinc/78/05/28/394780528.db2.gz MOTIRMRKQGHBGV-SWLSCSKDSA-N 2 1 266.360 2.325 20 0 CEADMP CCOc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1OCC ZINC000414883676 394786669 /nfs/dbraw/zinc/78/66/69/394786669.db2.gz NEXSKLNCMKTVMQ-UHFFFAOYSA-N 2 1 278.396 2.455 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc2cccnc12 ZINC000414882021 394786699 /nfs/dbraw/zinc/78/66/99/394786699.db2.gz BJACWPSEYRCSAF-OAHLLOKOSA-N 2 1 255.365 2.370 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)C1CC1 ZINC000414895334 394793563 /nfs/dbraw/zinc/79/35/63/394793563.db2.gz NCWWMNSXKKLFKP-IRXDYDNUSA-N 2 1 290.407 2.071 20 0 CEADMP C[C@@]1(C[NH2+]Cc2ccnn2-c2ccccc2)CCC[NH2+]C1 ZINC000414899081 394794962 /nfs/dbraw/zinc/79/49/62/394794962.db2.gz CDTOTIGBJIQJMK-QGZVFWFLSA-N 2 1 284.407 2.352 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)C1CC1 ZINC000414901795 394796624 /nfs/dbraw/zinc/79/66/24/394796624.db2.gz XLTUGZVZYTWEKR-CQSZACIVSA-N 2 1 274.343 2.043 20 0 CEADMP CCOc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1OCC ZINC000414901872 394796705 /nfs/dbraw/zinc/79/67/05/394796705.db2.gz XREKWSAONKKFRI-AWEZNQCLSA-N 2 1 278.396 2.311 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)CC1CCOCC1 ZINC000414927692 394807145 /nfs/dbraw/zinc/80/71/45/394807145.db2.gz MICJZLINVXTWLQ-KCQAQPDRSA-N 2 1 254.418 2.027 20 0 CEADMP CC[C@H]([NH2+]CCOCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422818856 394809661 /nfs/dbraw/zinc/80/96/61/394809661.db2.gz HENKGKZAIAKWFB-HOTGVXAUSA-N 2 1 262.397 2.323 20 0 CEADMP CCN(CC)c1ncc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414945224 394815530 /nfs/dbraw/zinc/81/55/30/394815530.db2.gz ICASHNNHJGWQEC-NWDGAFQWSA-N 2 1 282.457 2.219 20 0 CEADMP CC1CCC(CN2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000336028395 394819547 /nfs/dbraw/zinc/81/95/47/394819547.db2.gz BGBDLYDDGQKYIX-QDIHITRGSA-N 2 1 266.429 2.218 20 0 CEADMP COC[C@]1(C[NH2+][C@H](C)Cc2ccccc2F)CCC[NH2+]1 ZINC000414951449 394820135 /nfs/dbraw/zinc/82/01/35/394820135.db2.gz GXOYWSBWJLBXFQ-CZUORRHYSA-N 2 1 280.387 2.115 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422838013 394820947 /nfs/dbraw/zinc/82/09/47/394820947.db2.gz NNHNVKSYDOUPNA-OFQRWUPVSA-N 3 1 267.461 2.085 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000422837631 394821067 /nfs/dbraw/zinc/82/10/67/394821067.db2.gz MOTXMRNAYVANJE-YVSFHVDLSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000359369392 394750172 /nfs/dbraw/zinc/75/01/72/394750172.db2.gz JDLUNNBBTVSCDO-KBAYOESNSA-N 2 1 289.467 2.089 20 0 CEADMP Cc1cc(C)c(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1C ZINC000415046754 394862772 /nfs/dbraw/zinc/86/27/72/394862772.db2.gz VJEAPQYCBZOFSK-MRXNPFEDSA-N 2 1 262.397 2.080 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000415053860 394866132 /nfs/dbraw/zinc/86/61/32/394866132.db2.gz PEMQGLQZPVZHPO-ZFWWWQNUSA-N 2 1 275.396 2.060 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@H](C[NH3+])C2CCCC2)CC1 ZINC000415065194 394871921 /nfs/dbraw/zinc/87/19/21/394871921.db2.gz MGFLVQBVABDKRR-YMAMQOFZSA-N 2 1 282.428 2.215 20 0 CEADMP Cn1cnc2cc(C[NH2+][C@H](C[NH3+])C3CCCC3)ccc21 ZINC000415068570 394872821 /nfs/dbraw/zinc/87/28/21/394872821.db2.gz RHRDBAXINDHSHG-OAHLLOKOSA-N 2 1 272.396 2.180 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415072327 394875462 /nfs/dbraw/zinc/87/54/62/394875462.db2.gz WDVQQTGIGKAFCD-UHFFFAOYSA-N 2 1 284.407 2.412 20 0 CEADMP c1nc(-c2ccncc2)sc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415072033 394875683 /nfs/dbraw/zinc/87/56/83/394875683.db2.gz VDXZFMHIAYPBHM-UHFFFAOYSA-N 2 1 288.420 2.437 20 0 CEADMP CC(C)C[C@@H](C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000415072073 394875742 /nfs/dbraw/zinc/87/57/42/394875742.db2.gz VGSWVNAKBWZUPX-HOTGVXAUSA-N 2 1 264.413 2.068 20 0 CEADMP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000422991625 394876118 /nfs/dbraw/zinc/87/61/18/394876118.db2.gz PWOWPOHZZNTJDS-LSDHHAIUSA-N 2 1 270.380 2.150 20 0 CEADMP COc1ccc(OC)c(CCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423008594 394878534 /nfs/dbraw/zinc/87/85/34/394878534.db2.gz AMTQJPLDPARXRD-CJNGLKHVSA-N 2 1 292.423 2.224 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414962799 394826991 /nfs/dbraw/zinc/82/69/91/394826991.db2.gz ZZZSJCIZSHGPGF-BBRMVZONSA-N 2 1 284.407 2.411 20 0 CEADMP CCC[C@H](C[NH2+]C[C@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000414963053 394828512 /nfs/dbraw/zinc/82/85/12/394828512.db2.gz KNBHEEJUNZUPMJ-IAGOWNOFSA-N 2 1 275.440 2.064 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000336195680 394832903 /nfs/dbraw/zinc/83/29/03/394832903.db2.gz IEKXPBIZMOBGQV-RYUDHWBXSA-N 2 1 271.364 2.110 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000414981101 394835433 /nfs/dbraw/zinc/83/54/33/394835433.db2.gz QGPNFVHIEYYDRX-CYBMUJFWSA-N 2 1 272.352 2.096 20 0 CEADMP CC(C)C[C@H](C[NH2+]C[C@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000414983110 394836507 /nfs/dbraw/zinc/83/65/07/394836507.db2.gz ZWGHOEXZTRUUKZ-QZTJIDSGSA-N 2 1 289.467 2.310 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](O)c1ccc(F)cc1 ZINC000124353962 394837525 /nfs/dbraw/zinc/83/75/25/394837525.db2.gz IKPYWAYEWRAJCP-RKLWJJNISA-N 2 1 280.387 2.320 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](O)c1ccc(F)cc1 ZINC000124353962 394837528 /nfs/dbraw/zinc/83/75/28/394837528.db2.gz IKPYWAYEWRAJCP-RKLWJJNISA-N 2 1 280.387 2.320 20 0 CEADMP C[C@@H](CN[C@@H](C)c1c[nH+]ccc1N)[N@H+]1CCC[C@@H](C)C1 ZINC000422868750 394839359 /nfs/dbraw/zinc/83/93/59/394839359.db2.gz VUWNCASBNRUTJN-RDBSUJKOSA-N 2 1 276.428 2.265 20 0 CEADMP CCOC1CC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000124768172 394839596 /nfs/dbraw/zinc/83/95/96/394839596.db2.gz FUOKHJWJZDCSMI-NFOMZHRRSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H](C[NH2+]C[C@H]1CC[NH2+]CC1(F)F)CC1CCOCC1 ZINC000414992347 394840668 /nfs/dbraw/zinc/84/06/68/394840668.db2.gz BHBKZMRVTYHIKC-GXTWGEPZSA-N 2 1 290.398 2.274 20 0 CEADMP COc1ccc(C(C)(C)C[NH2+][C@H]2CCC[NH2+]C2)cc1OC ZINC000415087739 394883416 /nfs/dbraw/zinc/88/34/16/394883416.db2.gz WNYACUQSQSADNT-AWEZNQCLSA-N 2 1 292.423 2.323 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422877625 394844812 /nfs/dbraw/zinc/84/48/12/394844812.db2.gz IJNQPYNPUPKDOD-JKJDWNRSSA-N 2 1 267.461 2.083 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422877629 394844924 /nfs/dbraw/zinc/84/49/24/394844924.db2.gz IJNQPYNPUPKDOD-XFIYOXNOSA-N 2 1 267.461 2.083 20 0 CEADMP COc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1OC(C)C ZINC000415005614 394845513 /nfs/dbraw/zinc/84/55/13/394845513.db2.gz JGGVCLRYXAEKLC-VXGBXAGGSA-N 2 1 266.385 2.308 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000415011616 394848458 /nfs/dbraw/zinc/84/84/58/394848458.db2.gz QWZDWJJMRVIMPI-UWVGGRQHSA-N 2 1 276.302 2.453 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CNCC[C@H]2C)C1 ZINC000422885316 394849016 /nfs/dbraw/zinc/84/90/16/394849016.db2.gz UECRKNBTCUCSAS-OAGGEKHMSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422885316 394849018 /nfs/dbraw/zinc/84/90/18/394849018.db2.gz UECRKNBTCUCSAS-OAGGEKHMSA-N 3 1 267.461 2.086 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422885316 394849021 /nfs/dbraw/zinc/84/90/21/394849021.db2.gz UECRKNBTCUCSAS-OAGGEKHMSA-N 3 1 267.461 2.086 20 0 CEADMP C[C@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422884396 394849042 /nfs/dbraw/zinc/84/90/42/394849042.db2.gz SDAPRJAQLOYHNZ-YVSFHVDLSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422885262 394849481 /nfs/dbraw/zinc/84/94/81/394849481.db2.gz GQKMLKMJLDTARO-XUWVNRHRSA-N 2 1 267.461 2.370 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422888060 394850939 /nfs/dbraw/zinc/85/09/39/394850939.db2.gz ZYMOYJXCOXNJPJ-OWCLPIDISA-N 3 1 269.477 2.462 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000423024672 394883921 /nfs/dbraw/zinc/88/39/21/394883921.db2.gz JZYHQZKLDKRASN-RRFJBIMHSA-N 2 1 263.429 2.222 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000423024672 394883924 /nfs/dbraw/zinc/88/39/24/394883924.db2.gz JZYHQZKLDKRASN-RRFJBIMHSA-N 2 1 263.429 2.222 20 0 CEADMP CC(C)([NH3+])C[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000415020894 394851491 /nfs/dbraw/zinc/85/14/91/394851491.db2.gz AEYKYKBDCKEHKZ-LBPRGKRZSA-N 2 1 263.385 2.198 20 0 CEADMP c1ccc(-c2cccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)nc1 ZINC000415021662 394852352 /nfs/dbraw/zinc/85/23/52/394852352.db2.gz CIIBDPJJESXTMT-QLPKVWCKSA-N 2 1 265.360 2.056 20 0 CEADMP CC[C@@H]([NH2+]C[C@](C)(CO)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423080530 394886054 /nfs/dbraw/zinc/88/60/54/394886054.db2.gz SRUSLZUBRVGLHR-FGTMMUONSA-N 2 1 290.451 2.348 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422902871 394855952 /nfs/dbraw/zinc/85/59/52/394855952.db2.gz DVAVUNHLERXRFX-XHSDSOJGSA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)c1nc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cs1 ZINC000422903876 394857319 /nfs/dbraw/zinc/85/73/19/394857319.db2.gz PGJXFANGXNXAPZ-WCQYABFASA-N 2 1 267.442 2.397 20 0 CEADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1C[NH2+]C1 ZINC000422911075 394859653 /nfs/dbraw/zinc/85/96/53/394859653.db2.gz SCSSDHZFCVALDX-FMJMRLDVSA-N 2 1 299.462 2.380 20 0 CEADMP CO[C@H](C)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC000337243966 394886944 /nfs/dbraw/zinc/88/69/44/394886944.db2.gz HNGZNQAPUCVCFD-QGZVFWFLSA-N 2 1 299.503 2.148 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000423175710 394887360 /nfs/dbraw/zinc/88/73/60/394887360.db2.gz AWBDHYLGCCYUEA-CYBMUJFWSA-N 2 1 270.380 2.275 20 0 CEADMP C[C@@H]([NH2+]C[C@@](C)(CO)Cc1ccccc1)c1c[nH+]ccc1N ZINC000423083540 394886089 /nfs/dbraw/zinc/88/60/89/394886089.db2.gz YVZIRFJGMWXIOU-KDOFPFPSSA-N 2 1 299.418 2.386 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H](C[NH3+])C2CC2)C[C@@H]1c1ccccc1 ZINC000423272426 394889020 /nfs/dbraw/zinc/88/90/20/394889020.db2.gz HYORBIDEZSFUOG-YESZJQIVSA-N 2 1 273.424 2.149 20 0 CEADMP C[N@H+]1CC[C@H](NCC2([NH3+])CCC2)C[C@H]1c1ccccc1 ZINC000423321905 394889858 /nfs/dbraw/zinc/88/98/58/394889858.db2.gz ICCJHMBFJDMEFJ-HOTGVXAUSA-N 2 1 273.424 2.293 20 0 CEADMP CC(C)[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000130537733 394889885 /nfs/dbraw/zinc/88/98/85/394889885.db2.gz YAHNDFXPXCHDCL-CVEARBPZSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cncc(F)c1 ZINC000423336351 394890228 /nfs/dbraw/zinc/89/02/28/394890228.db2.gz SJZZTNJKQWXHQV-FZMZJTMJSA-N 2 1 251.349 2.261 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000415101369 394890540 /nfs/dbraw/zinc/89/05/40/394890540.db2.gz BGNKGIJIUBYZTE-WFASDCNBSA-N 2 1 278.444 2.327 20 0 CEADMP C[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000415103164 394890846 /nfs/dbraw/zinc/89/08/46/394890846.db2.gz CSMOEQIWXSNKLT-RHSMWYFYSA-N 2 1 288.435 2.471 20 0 CEADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCC[NH3+])CC1 ZINC000423339013 394891274 /nfs/dbraw/zinc/89/12/74/394891274.db2.gz WFRINJVBMWUUNJ-MRXNPFEDSA-N 2 1 289.467 2.411 20 0 CEADMP Cn1cc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cn1 ZINC000281992932 394891964 /nfs/dbraw/zinc/89/19/64/394891964.db2.gz IIZUNVBSKRAIFR-HNNXBMFYSA-N 2 1 299.422 2.333 20 0 CEADMP C[C@H](C[N@@H+]1CCCO[C@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000415108318 394892633 /nfs/dbraw/zinc/89/26/33/394892633.db2.gz MEOVFYLDPLEECT-IUODEOHRSA-N 2 1 282.815 2.493 20 0 CEADMP C[C@H](C[N@H+]1CCCO[C@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000415108318 394892634 /nfs/dbraw/zinc/89/26/34/394892634.db2.gz MEOVFYLDPLEECT-IUODEOHRSA-N 2 1 282.815 2.493 20 0 CEADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1nc2c(s1)CCC2 ZINC000415113947 394894367 /nfs/dbraw/zinc/89/43/67/394894367.db2.gz SGIJKVNATTURQV-GARJFASQSA-N 2 1 265.426 2.280 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CC[C@@H]3CCCO3)C2)CC1 ZINC000366862562 394953279 /nfs/dbraw/zinc/95/32/79/394953279.db2.gz BZRQMCIAYOMEQE-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000337466855 394894752 /nfs/dbraw/zinc/89/47/52/394894752.db2.gz MEKOXDUKRQVSBP-ULQDDVLXSA-N 2 1 298.471 2.282 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000337466855 394894757 /nfs/dbraw/zinc/89/47/57/394894757.db2.gz MEKOXDUKRQVSBP-ULQDDVLXSA-N 2 1 298.471 2.282 20 0 CEADMP CCc1ncc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000415125516 394898384 /nfs/dbraw/zinc/89/83/84/394898384.db2.gz LJBCBJFDWCKHMT-QWRGUYRKSA-N 2 1 253.415 2.122 20 0 CEADMP CCc1ncc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000415125516 394898388 /nfs/dbraw/zinc/89/83/88/394898388.db2.gz LJBCBJFDWCKHMT-QWRGUYRKSA-N 2 1 253.415 2.122 20 0 CEADMP C(C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423355850 394898965 /nfs/dbraw/zinc/89/89/65/394898965.db2.gz IQEJMPJTTRDFQQ-FPCVCCKLSA-N 3 1 265.445 2.029 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423356332 394899228 /nfs/dbraw/zinc/89/92/28/394899228.db2.gz GNNDTYQTPOVLLJ-LAVFITLUSA-N 2 1 287.451 2.410 20 0 CEADMP CC(C)[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000423355727 394899373 /nfs/dbraw/zinc/89/93/73/394899373.db2.gz FZPVGRSOTSVPQE-ILXRZTDVSA-N 2 1 297.487 2.233 20 0 CEADMP C[C@H]1CC[N@H+](Cc2ccnn2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000415135993 394901010 /nfs/dbraw/zinc/90/10/10/394901010.db2.gz WXAYBWUKYRVQQX-GJZGRUSLSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000415135993 394901013 /nfs/dbraw/zinc/90/10/13/394901013.db2.gz WXAYBWUKYRVQQX-GJZGRUSLSA-N 2 1 284.407 2.289 20 0 CEADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415137193 394901340 /nfs/dbraw/zinc/90/13/40/394901340.db2.gz XXRYIGWVKJECJV-UKRRQHHQSA-N 2 1 279.432 2.056 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)cn1 ZINC000423362535 394901335 /nfs/dbraw/zinc/90/13/35/394901335.db2.gz BEIBOLUZZJPYMM-DRZSPHRISA-N 2 1 251.349 2.259 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)n1 ZINC000415133765 394901514 /nfs/dbraw/zinc/90/15/14/394901514.db2.gz VMGBLARKXYAVNE-FZMZJTMJSA-N 2 1 277.412 2.124 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423365838 394902094 /nfs/dbraw/zinc/90/20/94/394902094.db2.gz BYXPQWYDXAOHFC-ZQNQSHIBSA-N 2 1 264.413 2.064 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000423367006 394902578 /nfs/dbraw/zinc/90/25/78/394902578.db2.gz YCDUPLQEERNFAS-GJZGRUSLSA-N 2 1 295.471 2.001 20 0 CEADMP CC[N@@H+](CC(=O)NCCCC[NH+]1CCC(C)CC1)C1CC1 ZINC000131123857 394903432 /nfs/dbraw/zinc/90/34/32/394903432.db2.gz KNLZWADCALEQFO-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CCSCC1 ZINC000131166619 394904380 /nfs/dbraw/zinc/90/43/80/394904380.db2.gz QDHBQWNFCPMANV-BZPMIXESSA-N 2 1 256.459 2.448 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423394663 394913768 /nfs/dbraw/zinc/91/37/68/394913768.db2.gz MWEJDEUVSQCZCT-FSPWUOQZSA-N 2 1 283.419 2.379 20 0 CEADMP Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)nc(C)[nH+]1 ZINC000364887102 394915461 /nfs/dbraw/zinc/91/54/61/394915461.db2.gz ZLQRUKMORJCZGO-KKUMJFAQSA-N 2 1 272.396 2.014 20 0 CEADMP Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)nc(C)[nH+]1 ZINC000364887102 394915463 /nfs/dbraw/zinc/91/54/63/394915463.db2.gz ZLQRUKMORJCZGO-KKUMJFAQSA-N 2 1 272.396 2.014 20 0 CEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)s1 ZINC000423423713 394919666 /nfs/dbraw/zinc/91/96/66/394919666.db2.gz DWGBFYOPCPBVKT-LEQIOUOKSA-N 2 1 287.226 2.379 20 0 CEADMP COCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000423452770 394924292 /nfs/dbraw/zinc/92/42/92/394924292.db2.gz WWORUSFRJUFVNG-AGIUHOORSA-N 2 1 266.385 2.098 20 0 CEADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2CNCCN2C)cc1 ZINC000423481401 394930118 /nfs/dbraw/zinc/93/01/18/394930118.db2.gz QKIXCMAVPBSFKZ-GOEBONIOSA-N 2 1 291.439 2.028 20 0 CEADMP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000423499542 394936132 /nfs/dbraw/zinc/93/61/32/394936132.db2.gz BXUCAYYRFVDFIK-YYIAUSFCSA-N 2 1 274.408 2.147 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)C12CCC2 ZINC000423503042 394938016 /nfs/dbraw/zinc/93/80/16/394938016.db2.gz MIKCWPBEJMXJMP-RBSFLKMASA-N 2 1 266.429 2.441 20 0 CEADMP [NH3+]CCC[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000423505812 394939117 /nfs/dbraw/zinc/93/91/17/394939117.db2.gz HYHHPJNHGUSHJU-WFVVYAPDSA-N 2 1 273.424 2.339 20 0 CEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(CO)c1 ZINC000423505215 394939153 /nfs/dbraw/zinc/93/91/53/394939153.db2.gz OBMOWBBZSAVETN-BLLLJJGKSA-N 2 1 262.397 2.347 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000423505147 394939247 /nfs/dbraw/zinc/93/92/47/394939247.db2.gz NWCKPQBCPZATQX-SRVKXCTJSA-N 2 1 280.334 2.203 20 0 CEADMP CN(CC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000133095906 394944193 /nfs/dbraw/zinc/94/41/93/394944193.db2.gz AEGUHAJGYBBXHV-UHFFFAOYSA-N 2 1 261.413 2.149 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC[C@H]([NH+](C)C)C1 ZINC000340284421 394982730 /nfs/dbraw/zinc/98/27/30/394982730.db2.gz UVUMVTYLPLSKEU-HOTGVXAUSA-N 2 1 267.461 2.275 20 0 CEADMP C[N@@H+](CCCCNC(=O)Nc1ccc(C[NH3+])cc1)C1CC1 ZINC000415944874 394984872 /nfs/dbraw/zinc/98/48/72/394984872.db2.gz BDYCZNPIWRGACP-UHFFFAOYSA-N 2 1 290.411 2.141 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000415941104 394984907 /nfs/dbraw/zinc/98/49/07/394984907.db2.gz GILCQGOZMYMGMI-WFASDCNBSA-N 2 1 290.411 2.010 20 0 CEADMP CC1CCC(O)(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000369612602 395000900 /nfs/dbraw/zinc/00/09/00/395000900.db2.gz BRCPRKMOAOHJKI-MFJUZZNBSA-N 2 1 292.467 2.344 20 0 CEADMP CC1CCC(O)(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000369612602 395000903 /nfs/dbraw/zinc/00/09/03/395000903.db2.gz BRCPRKMOAOHJKI-MFJUZZNBSA-N 2 1 292.467 2.344 20 0 CEADMP CC1CCC(O)(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000369612602 395000907 /nfs/dbraw/zinc/00/09/07/395000907.db2.gz BRCPRKMOAOHJKI-MFJUZZNBSA-N 2 1 292.467 2.344 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000342701557 395020125 /nfs/dbraw/zinc/02/01/25/395020125.db2.gz YXPZAOIEQSUQDS-OAGGEKHMSA-N 2 1 295.471 2.145 20 0 CEADMP CN(c1[nH+]cnc2[nH]ccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286415539 395021367 /nfs/dbraw/zinc/02/13/67/395021367.db2.gz PLWGFCSOVSGYMT-FOSCPWQOSA-N 2 1 271.368 2.019 20 0 CEADMP CN(c1[nH+]cnc2[nH]ccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286415539 395021371 /nfs/dbraw/zinc/02/13/71/395021371.db2.gz PLWGFCSOVSGYMT-FOSCPWQOSA-N 2 1 271.368 2.019 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c2ccccc21 ZINC000154340685 395022104 /nfs/dbraw/zinc/02/21/04/395022104.db2.gz ROZVWXRGXIDFSW-HEHGZKQESA-N 2 1 262.397 2.137 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367599571 394966137 /nfs/dbraw/zinc/96/61/37/394966137.db2.gz WLWBFTIHVPSWLG-MLHJIOFPSA-N 2 1 288.435 2.491 20 0 CEADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000423764304 394980099 /nfs/dbraw/zinc/98/00/99/394980099.db2.gz SMYQTXLXVQYIQU-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000373644637 395064610 /nfs/dbraw/zinc/06/46/10/395064610.db2.gz OCYSJPMLDXFPEB-YYIAUSFCSA-N 2 1 280.456 2.200 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000373644637 395064613 /nfs/dbraw/zinc/06/46/13/395064613.db2.gz OCYSJPMLDXFPEB-YYIAUSFCSA-N 2 1 280.456 2.200 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000373644637 395064615 /nfs/dbraw/zinc/06/46/15/395064615.db2.gz OCYSJPMLDXFPEB-YYIAUSFCSA-N 2 1 280.456 2.200 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)CC[NH+]2CCCC2)c1C ZINC000162500204 395074832 /nfs/dbraw/zinc/07/48/32/395074832.db2.gz GFNBWEVKACUZMV-UHFFFAOYSA-N 2 1 277.412 2.235 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC(=O)OC(C)(C)C ZINC000163571681 395084263 /nfs/dbraw/zinc/08/42/63/395084263.db2.gz WIDWDIAVBQYNAH-AGIUHOORSA-N 2 1 270.417 2.037 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](CN2CC(C)(C)OC2=O)CC1 ZINC000494153887 395097243 /nfs/dbraw/zinc/09/72/43/395097243.db2.gz IJDONRVDCOSTMB-UHFFFAOYSA-N 2 1 297.443 2.229 20 0 CEADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CCOCC1 ZINC000343404042 395038297 /nfs/dbraw/zinc/03/82/97/395038297.db2.gz OCOUKWDTQYGZPQ-CABCVRRESA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)c3ccccc32)CC[N@@H+]1C ZINC000376954246 395132155 /nfs/dbraw/zinc/13/21/55/395132155.db2.gz JSGIRSICZLBIQM-OEUWWYETSA-N 2 1 274.408 2.280 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)c3ccccc32)CC[N@H+]1C ZINC000376954246 395132159 /nfs/dbraw/zinc/13/21/59/395132159.db2.gz JSGIRSICZLBIQM-OEUWWYETSA-N 2 1 274.408 2.280 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000347042752 395117880 /nfs/dbraw/zinc/11/78/80/395117880.db2.gz MBOQOWCOMUGNKW-KBPBESRZSA-N 2 1 261.413 2.312 20 0 CEADMP C[C@H](C[C@H](C)[NH2+]C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000494555907 395120929 /nfs/dbraw/zinc/12/09/29/395120929.db2.gz SBVIETMRCNMLFK-QWHCGFSZSA-N 2 1 299.459 2.362 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000174354528 395122903 /nfs/dbraw/zinc/12/29/03/395122903.db2.gz CGYXELVYRSKEPH-HZPDHXFCSA-N 2 1 267.461 2.182 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436275399 395104771 /nfs/dbraw/zinc/10/47/71/395104771.db2.gz OSPLHNSRRXNLBE-UHFFFAOYSA-N 2 1 293.386 2.365 20 0 CEADMP C[S@@](=O)C1(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CCC1 ZINC000436294681 395105640 /nfs/dbraw/zinc/10/56/40/395105640.db2.gz GHCYPZRDLGUVPM-LJQANCHMSA-N 2 1 286.485 2.140 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428034309 395133855 /nfs/dbraw/zinc/13/38/55/395133855.db2.gz NYSPJGPQPHJLIF-DOTOQJQBSA-N 2 1 274.408 2.312 20 0 CEADMP Fc1cccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428042797 395135012 /nfs/dbraw/zinc/13/50/12/395135012.db2.gz WMFLFPOSWPJIOM-ZBFHGGJFSA-N 2 1 262.372 2.442 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000494818799 395148083 /nfs/dbraw/zinc/14/80/83/395148083.db2.gz DZLMNYORXFSWAW-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](CO)C1 ZINC000348680009 395149016 /nfs/dbraw/zinc/14/90/16/395149016.db2.gz IYLHRWYEMBEYFK-QCODTGAPSA-N 2 1 268.445 2.103 20 0 CEADMP C([C@@H]1CCC2(CCCC2)O1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000382228927 395180654 /nfs/dbraw/zinc/18/06/54/395180654.db2.gz XXPUKMZSQVBQJS-GJZGRUSLSA-N 2 1 264.413 2.164 20 0 CEADMP CO[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000178456960 395167311 /nfs/dbraw/zinc/16/73/11/395167311.db2.gz RGQJKTOYRVWJMT-BPUTZDHNSA-N 2 1 262.397 2.446 20 0 CEADMP CC(C)[NH2+][C@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC000382137768 395179290 /nfs/dbraw/zinc/17/92/90/395179290.db2.gz CLCLZQKUCFGZPM-HNNXBMFYSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC2CCOCC2)C1 ZINC000382137768 395179299 /nfs/dbraw/zinc/17/92/99/395179299.db2.gz CLCLZQKUCFGZPM-HNNXBMFYSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000520216689 395236856 /nfs/dbraw/zinc/23/68/56/395236856.db2.gz QBVDHTREGJWNJY-GFCCVEGCSA-N 2 1 266.385 2.354 20 0 CEADMP C[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000382763457 395183822 /nfs/dbraw/zinc/18/38/22/395183822.db2.gz OINJUNXAAPAKLQ-SJLPKXTDSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000382768113 395183874 /nfs/dbraw/zinc/18/38/74/395183874.db2.gz YRERJDWHMMFBLR-SJORKVTESA-N 2 1 287.451 2.192 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292241741 395190506 /nfs/dbraw/zinc/19/05/06/395190506.db2.gz WVAMFTLCMIHHFZ-DLBZAZTESA-N 2 1 274.408 2.402 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292241741 395190513 /nfs/dbraw/zinc/19/05/13/395190513.db2.gz WVAMFTLCMIHHFZ-DLBZAZTESA-N 2 1 274.408 2.402 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292241741 395190520 /nfs/dbraw/zinc/19/05/20/395190520.db2.gz WVAMFTLCMIHHFZ-DLBZAZTESA-N 2 1 274.408 2.402 20 0 CEADMP Cc1ccc2[nH+]ccc(NCC3([NH+]4CCOCC4)CC3)c2c1 ZINC000433815212 395251333 /nfs/dbraw/zinc/25/13/33/395251333.db2.gz ZWPFTFHTVNLKDI-UHFFFAOYSA-N 2 1 297.402 2.242 20 0 CEADMP Cc1ccc(N2CCC([NH2+]CC[C@H]3CCOC3)CC2)[nH+]c1 ZINC000438184412 395209268 /nfs/dbraw/zinc/20/92/68/395209268.db2.gz BZEDZTMPALWIAX-HNNXBMFYSA-N 2 1 289.423 2.375 20 0 CEADMP CC[C@@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000181118730 395210153 /nfs/dbraw/zinc/21/01/53/395210153.db2.gz SGSBJIPPRAZXIY-OAGGEKHMSA-N 2 1 267.461 2.275 20 0 CEADMP C[C@H](C[NH2+]CC[C@@H]1CCOC1)[NH+]1CCC(C)CC1 ZINC000438213184 395213835 /nfs/dbraw/zinc/21/38/35/395213835.db2.gz NBLFRCYSTHFISG-HUUCEWRRSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000353064087 395286390 /nfs/dbraw/zinc/28/63/90/395286390.db2.gz WRXUPNHEMWQBRQ-ZNMIVQPWSA-N 2 1 267.461 2.322 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000353064087 395286395 /nfs/dbraw/zinc/28/63/95/395286395.db2.gz WRXUPNHEMWQBRQ-ZNMIVQPWSA-N 2 1 267.461 2.322 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000353064087 395286399 /nfs/dbraw/zinc/28/63/99/395286399.db2.gz WRXUPNHEMWQBRQ-ZNMIVQPWSA-N 2 1 267.461 2.322 20 0 CEADMP COc1cccc(OCC[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000420290568 395298279 /nfs/dbraw/zinc/29/82/79/395298279.db2.gz MCRMTDHLFSBTBJ-KGLIPLIRSA-N 2 1 278.396 2.133 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(O)CC2)C1 ZINC000353459482 395298344 /nfs/dbraw/zinc/29/83/44/395298344.db2.gz HXKIENBUSPEMBT-FHERZECASA-N 2 1 268.445 2.392 20 0 CEADMP CC[C@@]1(C)CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420297132 395302414 /nfs/dbraw/zinc/30/24/14/395302414.db2.gz FNPMJUORTQQHEW-BZSNNMDCSA-N 2 1 290.451 2.429 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000420298196 395303512 /nfs/dbraw/zinc/30/35/12/395303512.db2.gz GZOLSMXMERIAPR-OWCLPIDISA-N 2 1 274.408 2.469 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](C)[C@H]2C)cc1 ZINC000420297531 395303664 /nfs/dbraw/zinc/30/36/64/395303664.db2.gz GDDCRVYDNPRGPG-UMVBOHGHSA-N 2 1 262.397 2.468 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@H]12 ZINC000420300596 395305430 /nfs/dbraw/zinc/30/54/30/395305430.db2.gz CRPRCIGBAYTJLD-HZSPNIEDSA-N 2 1 250.411 2.350 20 0 CEADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353670740 395305815 /nfs/dbraw/zinc/30/58/15/395305815.db2.gz AZAIIDZDSQGMBK-ZNMIVQPWSA-N 2 1 268.445 2.390 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420306874 395310719 /nfs/dbraw/zinc/31/07/19/395310719.db2.gz LGJCASNCFOBJKF-UKRRQHHQSA-N 2 1 262.397 2.297 20 0 CEADMP COc1cccc(OCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000420305897 395310823 /nfs/dbraw/zinc/31/08/23/395310823.db2.gz KQGUQHGAYTWSQX-IAOVAPTHSA-N 2 1 290.407 2.133 20 0 CEADMP c1ccc(CC[N@H+](CC[C@H]2CC[NH2+]C2)[C@@H]2CCOC2)cc1 ZINC000420305920 395310896 /nfs/dbraw/zinc/31/08/96/395310896.db2.gz QDPJQVPZJGTXNK-QZTJIDSGSA-N 2 1 288.435 2.320 20 0 CEADMP COc1cccc(OCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000420305898 395311537 /nfs/dbraw/zinc/31/15/37/395311537.db2.gz KQGUQHGAYTWSQX-JQFCIGGWSA-N 2 1 290.407 2.133 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420309025 395313119 /nfs/dbraw/zinc/31/31/19/395313119.db2.gz DIMQUIBAKZTYAI-CVEARBPZSA-N 2 1 288.439 2.123 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)[nH+]1 ZINC000420309025 395313122 /nfs/dbraw/zinc/31/31/22/395313122.db2.gz DIMQUIBAKZTYAI-CVEARBPZSA-N 3 1 288.439 2.123 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)[nH+]1 ZINC000420309025 395313126 /nfs/dbraw/zinc/31/31/26/395313126.db2.gz DIMQUIBAKZTYAI-CVEARBPZSA-N 3 1 288.439 2.123 20 0 CEADMP Cc1cnc([C@H](C)[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000420325537 395327363 /nfs/dbraw/zinc/32/73/63/395327363.db2.gz ISSHEKXFFWXDNS-MELADBBJSA-N 2 1 263.385 2.366 20 0 CEADMP C[N@@H+](CCOCC(F)(F)C(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420314052 395318239 /nfs/dbraw/zinc/31/82/39/395318239.db2.gz JSOAQUKHLFTDHB-ZACCUICWSA-N 2 1 298.324 2.118 20 0 CEADMP FCCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420316498 395319770 /nfs/dbraw/zinc/31/97/70/395319770.db2.gz SVEWCIYVKNGXSB-GFCCVEGCSA-N 2 1 283.416 2.447 20 0 CEADMP FCCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420316498 395319774 /nfs/dbraw/zinc/31/97/74/395319774.db2.gz SVEWCIYVKNGXSB-GFCCVEGCSA-N 2 1 283.416 2.447 20 0 CEADMP CCCC(=O)NC[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420315180 395320266 /nfs/dbraw/zinc/32/02/66/395320266.db2.gz ZWRUCMCMHNVYCF-JKSUJKDBSA-N 2 1 295.471 2.004 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C[C@@H](C)O1 ZINC000420315323 395320289 /nfs/dbraw/zinc/32/02/89/395320289.db2.gz LREXSGHHGPRVEM-FVQBIDKESA-N 2 1 292.423 2.237 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C[C@@H](C)O1 ZINC000420315323 395320293 /nfs/dbraw/zinc/32/02/93/395320293.db2.gz LREXSGHHGPRVEM-FVQBIDKESA-N 2 1 292.423 2.237 20 0 CEADMP CO[C@H](CC(C)C)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000419222358 395255128 /nfs/dbraw/zinc/25/51/28/395255128.db2.gz WVHLIDXFUWRVFB-HUUCEWRRSA-N 2 1 256.434 2.321 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000419222358 395255130 /nfs/dbraw/zinc/25/51/30/395255130.db2.gz WVHLIDXFUWRVFB-HUUCEWRRSA-N 2 1 256.434 2.321 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000419222358 395255134 /nfs/dbraw/zinc/25/51/34/395255134.db2.gz WVHLIDXFUWRVFB-HUUCEWRRSA-N 2 1 256.434 2.321 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCO)C1CCCCC1 ZINC000183721996 395260939 /nfs/dbraw/zinc/26/09/39/395260939.db2.gz CUHZRWTYIKQDQE-CVEARBPZSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C1(C[NH3+])CCC1 ZINC000420320775 395323511 /nfs/dbraw/zinc/32/35/11/395323511.db2.gz BVKBTHALPMIDTN-UHFFFAOYSA-N 2 1 295.814 2.482 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C1(C[NH3+])CCC1 ZINC000420320775 395323516 /nfs/dbraw/zinc/32/35/16/395323516.db2.gz BVKBTHALPMIDTN-UHFFFAOYSA-N 2 1 295.814 2.482 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000401879817 395263676 /nfs/dbraw/zinc/26/36/76/395263676.db2.gz NNFBQMLMTDWEHI-PBHICJAKSA-N 2 1 274.408 2.418 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCOCC(F)(F)C(F)F ZINC000420321006 395324512 /nfs/dbraw/zinc/32/45/12/395324512.db2.gz VANABHQECHKZOH-SNVBAGLBSA-N 2 1 286.313 2.107 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000412413696 395358447 /nfs/dbraw/zinc/35/84/47/395358447.db2.gz TZXWFZVOEZUKFR-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000412413696 395358452 /nfs/dbraw/zinc/35/84/52/395358452.db2.gz TZXWFZVOEZUKFR-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000412413696 395358456 /nfs/dbraw/zinc/35/84/56/395358456.db2.gz TZXWFZVOEZUKFR-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1ccccc1F ZINC000420372064 395358761 /nfs/dbraw/zinc/35/87/61/395358761.db2.gz XWCVIXKKYZXACZ-CYBMUJFWSA-N 2 1 254.349 2.168 20 0 CEADMP CCOc1ccc(OCC[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420374460 395360903 /nfs/dbraw/zinc/36/09/03/395360903.db2.gz SBQYJRFMTKBBQF-JKIFEVAISA-N 2 1 292.423 2.440 20 0 CEADMP CCn1ccnc1[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420374118 395360962 /nfs/dbraw/zinc/36/09/62/395360962.db2.gz NGNDIKHXTQCFCR-LSDHHAIUSA-N 2 1 276.428 2.430 20 0 CEADMP C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)[C@H]1CCCCO1 ZINC000420406580 395372763 /nfs/dbraw/zinc/37/27/63/395372763.db2.gz USTUHVLTTNYOLZ-OAGGEKHMSA-N 2 1 266.429 2.410 20 0 CEADMP CC[N@H+](CC(=O)N(C(C)C)C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435628336 395379791 /nfs/dbraw/zinc/37/97/91/395379791.db2.gz QJMZHHOIBMMAOS-OAHLLOKOSA-N 2 1 283.460 2.096 20 0 CEADMP CC[N@@H+](CC(=O)N(C(C)C)C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435628336 395379795 /nfs/dbraw/zinc/37/97/95/395379795.db2.gz QJMZHHOIBMMAOS-OAHLLOKOSA-N 2 1 283.460 2.096 20 0 CEADMP CC[N@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000435628116 395380346 /nfs/dbraw/zinc/38/03/46/395380346.db2.gz PPYUEIZMMOWOEO-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000435628116 395380350 /nfs/dbraw/zinc/38/03/50/395380350.db2.gz PPYUEIZMMOWOEO-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]([NH3+])CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000442667028 395389613 /nfs/dbraw/zinc/38/96/13/395389613.db2.gz XSBXNYVPBGKOTR-ZOBUZTSGSA-N 2 1 275.440 2.319 20 0 CEADMP COCCCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330164 395331271 /nfs/dbraw/zinc/33/12/71/395331271.db2.gz POBLQQRLLKXPCC-CABCVRRESA-N 2 1 254.418 2.125 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331156 395331351 /nfs/dbraw/zinc/33/13/51/395331351.db2.gz BRSFQWLRIPFTQB-SOUVJXGZSA-N 2 1 295.471 2.001 20 0 CEADMP COc1cccc2c1CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000420359909 395346509 /nfs/dbraw/zinc/34/65/09/395346509.db2.gz LCXJSXYPBWFOMW-UHFFFAOYSA-N 2 1 274.408 2.443 20 0 CEADMP CCC[C@@]1(CO)CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000444768332 395453766 /nfs/dbraw/zinc/45/37/66/395453766.db2.gz DAGLAVZCZXUTJR-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP CCC[C@@]1(CO)CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000444768332 395453767 /nfs/dbraw/zinc/45/37/67/395453767.db2.gz DAGLAVZCZXUTJR-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP CCC[C@@]1(CO)CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000444768332 395453768 /nfs/dbraw/zinc/45/37/68/395453768.db2.gz DAGLAVZCZXUTJR-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000445805915 395470184 /nfs/dbraw/zinc/47/01/84/395470184.db2.gz PVGZVMJGVDJGCO-OAHLLOKOSA-N 2 1 256.353 2.327 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[C@]34CC[NH2+]C4)c2C1 ZINC000444168185 395420004 /nfs/dbraw/zinc/42/00/04/395420004.db2.gz OSHCYFXVSLVALT-QAPCUYQASA-N 2 1 299.418 2.350 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[C@]34CC[NH2+]C4)c2C1 ZINC000444168185 395420008 /nfs/dbraw/zinc/42/00/08/395420008.db2.gz OSHCYFXVSLVALT-QAPCUYQASA-N 2 1 299.418 2.350 20 0 CEADMP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[NH+](C)C ZINC000529716930 395437561 /nfs/dbraw/zinc/43/75/61/395437561.db2.gz FBOODXGLUSUMQS-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C[NH+]1CCCCC1 ZINC000355408732 395439272 /nfs/dbraw/zinc/43/92/72/395439272.db2.gz GTMLSEPNPBHSII-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP Nc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000566245658 395507732 /nfs/dbraw/zinc/50/77/32/395507732.db2.gz OXLUQJPYZWBCKF-HZPDHXFCSA-N 2 1 259.397 2.375 20 0 CEADMP Nc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000566245658 395507734 /nfs/dbraw/zinc/50/77/34/395507734.db2.gz OXLUQJPYZWBCKF-HZPDHXFCSA-N 2 1 259.397 2.375 20 0 CEADMP CC(C)C[C@H](N)c1noc(C[C@H](C)n2ccnc2)n1 ZINC000566310283 395512293 /nfs/dbraw/zinc/51/22/93/395512293.db2.gz HQGRBGVHQYFRQS-QWRGUYRKSA-N 2 1 263.345 2.116 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCCC[NH+]1CCC1 ZINC000566475448 395529150 /nfs/dbraw/zinc/52/91/50/395529150.db2.gz ZSBYJUCSXGKMNE-FUHWJXTLSA-N 2 1 287.451 2.192 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCCC(C)(C)C2)CC1 ZINC000446063268 395480435 /nfs/dbraw/zinc/48/04/35/395480435.db2.gz XOTPNCOZAUNOLN-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCCC(C)(C)C2)CC1 ZINC000446063268 395480437 /nfs/dbraw/zinc/48/04/37/395480437.db2.gz XOTPNCOZAUNOLN-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP COC[C@]1(C[NH2+][C@@H](C)Cc2ccsc2)CCC[NH2+]1 ZINC000565762936 395483529 /nfs/dbraw/zinc/48/35/29/395483529.db2.gz ZAQMNEDOYMEIFZ-GXTWGEPZSA-N 2 1 268.426 2.037 20 0 CEADMP C[C@@H]([NH2+]CCCC(=O)N(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000572971325 395596643 /nfs/dbraw/zinc/59/66/43/395596643.db2.gz ASQIWIUJHAFPCJ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)oc1C ZINC000574694016 395635193 /nfs/dbraw/zinc/63/51/93/395635193.db2.gz GTVRCVYMMNRJSK-LSDHHAIUSA-N 2 1 293.411 2.010 20 0 CEADMP C[NH+](C)CCCOc1cnccc1C[NH2+]CC1(F)CC1 ZINC000575213139 395646874 /nfs/dbraw/zinc/64/68/74/395646874.db2.gz WSFOIGKEIZZFEO-UHFFFAOYSA-N 2 1 281.375 2.004 20 0 CEADMP COCC1(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000647320250 395702113 /nfs/dbraw/zinc/70/21/13/395702113.db2.gz VROLUEAYHHDXOR-BFHYXJOUSA-N 2 1 254.418 2.121 20 0 CEADMP CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000647336106 395704892 /nfs/dbraw/zinc/70/48/92/395704892.db2.gz MGWYTYOIKGDLGW-BYNSBNAKSA-N 2 1 256.434 2.103 20 0 CEADMP CC[C@H](COC)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343887 395706867 /nfs/dbraw/zinc/70/68/67/395706867.db2.gz FHBAUSNXWIKAOL-ZACQAIPSSA-N 2 1 276.424 2.346 20 0 CEADMP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000647360532 395709169 /nfs/dbraw/zinc/70/91/69/395709169.db2.gz WCCVPEJJJRPCJL-QSLWVIQJSA-N 2 1 254.443 2.343 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc4c(s3)CCC4)C[C@H]21 ZINC000647511817 395724128 /nfs/dbraw/zinc/72/41/28/395724128.db2.gz IJNVHEOJGSETIA-QJPTWQEYSA-N 2 1 277.437 2.191 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc4c(s3)CCC4)C[C@H]21 ZINC000647511817 395724129 /nfs/dbraw/zinc/72/41/29/395724129.db2.gz IJNVHEOJGSETIA-QJPTWQEYSA-N 2 1 277.437 2.191 20 0 CEADMP C[C@@]1(C[N@H+]2CCCc3sccc3C2)CC[NH2+]C1 ZINC000647516128 395724639 /nfs/dbraw/zinc/72/46/39/395724639.db2.gz OAQPSAXCTRNLQB-CQSZACIVSA-N 2 1 250.411 2.496 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)nc2)CC[C@H]1[NH3+] ZINC000647498730 395722137 /nfs/dbraw/zinc/72/21/37/395722137.db2.gz ORODZBBHPSGHKB-HZPDHXFCSA-N 2 1 288.439 2.241 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)CC[C@H]1[NH3+] ZINC000647498730 395722139 /nfs/dbraw/zinc/72/21/39/395722139.db2.gz ORODZBBHPSGHKB-HZPDHXFCSA-N 2 1 288.439 2.241 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647283875 395697540 /nfs/dbraw/zinc/69/75/40/395697540.db2.gz QMMNJCKTOUYJQD-CYBMUJFWSA-N 2 1 287.411 2.465 20 0 CEADMP COc1cccc(OCCC[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)c1 ZINC000647548623 395732868 /nfs/dbraw/zinc/73/28/68/395732868.db2.gz LDRHSPLUYDBVQD-KGLIPLIRSA-N 2 1 278.396 2.052 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000647534863 395728661 /nfs/dbraw/zinc/72/86/61/395728661.db2.gz YFLQAWFYKDTGRQ-QAETUUGQSA-N 2 1 256.393 2.474 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000647534863 395728664 /nfs/dbraw/zinc/72/86/64/395728664.db2.gz YFLQAWFYKDTGRQ-QAETUUGQSA-N 2 1 256.393 2.474 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c2c1C ZINC000647707400 395747473 /nfs/dbraw/zinc/74/74/73/395747473.db2.gz KEELGMPDQPXRQS-RWMBFGLXSA-N 2 1 285.395 2.138 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647789756 395755050 /nfs/dbraw/zinc/75/50/50/395755050.db2.gz KMKZROIYUBNUJA-MDMSPXHWSA-N 3 1 293.499 2.332 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647793217 395755551 /nfs/dbraw/zinc/75/55/51/395755551.db2.gz PPNMFLLBBCYFLE-VSZNYVQBSA-N 3 1 293.499 2.332 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647936834 395779413 /nfs/dbraw/zinc/77/94/13/395779413.db2.gz MARVSJCTYZCBLN-WCQYABFASA-N 2 1 251.374 2.105 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647936834 395779416 /nfs/dbraw/zinc/77/94/16/395779416.db2.gz MARVSJCTYZCBLN-WCQYABFASA-N 2 1 251.374 2.105 20 0 CEADMP Cc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c(C)n1 ZINC000647815012 395759554 /nfs/dbraw/zinc/75/95/54/395759554.db2.gz LBMLIWNMEBSKJY-UHFFFAOYSA-N 2 1 259.397 2.415 20 0 CEADMP Cc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c(C)n1 ZINC000647815012 395759556 /nfs/dbraw/zinc/75/95/56/395759556.db2.gz LBMLIWNMEBSKJY-UHFFFAOYSA-N 2 1 259.397 2.415 20 0 CEADMP CC[C@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[N@H+]1CCOC ZINC000647867807 395765849 /nfs/dbraw/zinc/76/58/49/395765849.db2.gz WWIPUEIMXLVQPX-ZDUSSCGKSA-N 2 1 288.395 2.110 20 0 CEADMP O=C(c1ccccc1)C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647874413 395766827 /nfs/dbraw/zinc/76/68/27/395766827.db2.gz SXISTCCZXNAEFX-CQSZACIVSA-N 2 1 272.392 2.191 20 0 CEADMP Fc1cccc(C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000647882869 395768909 /nfs/dbraw/zinc/76/89/09/395768909.db2.gz JTTUKCWWVKTVPG-WBVHZDCISA-N 2 1 292.398 2.416 20 0 CEADMP Fc1cccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000647882869 395768911 /nfs/dbraw/zinc/76/89/11/395768911.db2.gz JTTUKCWWVKTVPG-WBVHZDCISA-N 2 1 292.398 2.416 20 0 CEADMP c1ccc(CCCO[C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647890809 395769975 /nfs/dbraw/zinc/76/99/75/395769975.db2.gz XXSLMVFOAMGIJQ-MSOLQXFVSA-N 2 1 288.435 2.320 20 0 CEADMP COCCCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904165 395770758 /nfs/dbraw/zinc/77/07/58/395770758.db2.gz XXZFTTCELSHKDY-HUUCEWRRSA-N 2 1 254.418 2.267 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+]CC[C@@H]2CCOC2)[C@H](c2ccccc2)C1 ZINC000648068449 395825030 /nfs/dbraw/zinc/82/50/30/395825030.db2.gz YWPLCCRSFSCEMA-NXHRZFHOSA-N 2 1 288.435 2.348 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc3ccccc3[nH]1)CCO2 ZINC000648072310 395825921 /nfs/dbraw/zinc/82/59/21/395825921.db2.gz XCYMPSRDLYUQQS-UHFFFAOYSA-N 2 1 299.418 2.465 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc3ccccc3[nH]1)CCO2 ZINC000648072310 395825922 /nfs/dbraw/zinc/82/59/22/395825922.db2.gz XCYMPSRDLYUQQS-UHFFFAOYSA-N 2 1 299.418 2.465 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000648137150 395843624 /nfs/dbraw/zinc/84/36/24/395843624.db2.gz JYPMLIPKIIIWFU-ZIAGYGMSSA-N 2 1 292.427 2.127 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000648147504 395845714 /nfs/dbraw/zinc/84/57/14/395845714.db2.gz IVMGDCXRNKKLOO-KBPBESRZSA-N 2 1 292.427 2.045 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)CCC(C)(C)[NH3+] ZINC000648150700 395846403 /nfs/dbraw/zinc/84/64/03/395846403.db2.gz ICIKJXULLCPUPA-UHFFFAOYSA-N 2 1 283.460 2.227 20 0 CEADMP Cc1noc([C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647976485 395793138 /nfs/dbraw/zinc/79/31/38/395793138.db2.gz PHTZUIKJYFWKRG-FPMFFAJLSA-N 2 1 278.400 2.151 20 0 CEADMP FC(F)(F)COCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978357 395794131 /nfs/dbraw/zinc/79/41/31/395794131.db2.gz QHJFHKMAJFCPNP-STQMWFEESA-N 2 1 294.361 2.277 20 0 CEADMP Nc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647978293 395794442 /nfs/dbraw/zinc/79/44/42/395794442.db2.gz PNLKMPHNWQJGAF-JKSUJKDBSA-N 2 1 273.424 2.480 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC000647978328 395794478 /nfs/dbraw/zinc/79/44/78/395794478.db2.gz PZEMMLWLKOCDRB-IRXDYDNUSA-N 3 1 279.472 2.088 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647986542 395795832 /nfs/dbraw/zinc/79/58/32/395795832.db2.gz DZBDEBUAQXMFDX-SJORKVTESA-N 3 1 279.472 2.088 20 0 CEADMP Fc1ccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CCOCC2)cc1 ZINC000647989690 395796679 /nfs/dbraw/zinc/79/66/79/395796679.db2.gz XTASBYRYSUVAQT-OAHLLOKOSA-N 2 1 292.398 2.416 20 0 CEADMP CC[C@H]1CN(C[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000647989952 395796712 /nfs/dbraw/zinc/79/67/12/395796712.db2.gz JBLNEJKAJDCWBG-MSOLQXFVSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000647992984 395798162 /nfs/dbraw/zinc/79/81/62/395798162.db2.gz WOEIOZUIQZVIDW-YCPHGPKFSA-N 3 1 267.461 2.071 20 0 CEADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648741772 395971989 /nfs/dbraw/zinc/97/19/89/395971989.db2.gz QYSBAAYBFSXHGR-HZPDHXFCSA-N 2 1 297.487 2.153 20 0 CEADMP CC[N@H+]1CCN(C[C@H]2CCCC[NH+]2C(C)C)C[C@H]1C ZINC000649396039 396140667 /nfs/dbraw/zinc/14/06/67/396140667.db2.gz WRJNQKRDMKQVMG-HZPDHXFCSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC000649396039 396140669 /nfs/dbraw/zinc/14/06/69/396140669.db2.gz WRJNQKRDMKQVMG-HZPDHXFCSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC000649396039 396140671 /nfs/dbraw/zinc/14/06/71/396140671.db2.gz WRJNQKRDMKQVMG-HZPDHXFCSA-N 2 1 267.461 2.275 20 0 CEADMP Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H]1CC[NH2+]C1)CCC2 ZINC000649413621 396147553 /nfs/dbraw/zinc/14/75/53/396147553.db2.gz RZLHIHRDNSBHTI-YPMHNXCESA-N 2 1 265.426 2.370 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000649566110 396191694 /nfs/dbraw/zinc/19/16/94/396191694.db2.gz CGKOCKOATQAYPL-USXIJHARSA-N 2 1 277.456 2.029 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000649566110 396191698 /nfs/dbraw/zinc/19/16/98/396191698.db2.gz CGKOCKOATQAYPL-USXIJHARSA-N 2 1 277.456 2.029 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000649566110 396191700 /nfs/dbraw/zinc/19/17/00/396191700.db2.gz CGKOCKOATQAYPL-USXIJHARSA-N 2 1 277.456 2.029 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(C)(C)C)CCO2 ZINC000646104219 396293951 /nfs/dbraw/zinc/29/39/51/396293951.db2.gz CRJOBWHUUQZACE-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1C1CCC1)C1CC1 ZINC000646139881 396303650 /nfs/dbraw/zinc/30/36/50/396303650.db2.gz GATIGRXBLLOISM-JKSUJKDBSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1C1CCC1)C1CC1 ZINC000646139881 396303655 /nfs/dbraw/zinc/30/36/55/396303655.db2.gz GATIGRXBLLOISM-JKSUJKDBSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@@H]1C1CCC1)C1CC1 ZINC000646139881 396303660 /nfs/dbraw/zinc/30/36/60/396303660.db2.gz GATIGRXBLLOISM-JKSUJKDBSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@@H]1C1CCC1)C1CC1 ZINC000646139881 396303663 /nfs/dbraw/zinc/30/36/63/396303663.db2.gz GATIGRXBLLOISM-JKSUJKDBSA-N 2 1 266.429 2.096 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)Cc1nc(C2([NH3+])CCCC2)no1 ZINC000647138163 396415284 /nfs/dbraw/zinc/41/52/84/396415284.db2.gz HCURTTHJZVBHSC-LLVKDONJSA-N 2 1 289.383 2.360 20 0 CEADMP Cn1cccc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647248677 396450206 /nfs/dbraw/zinc/45/02/06/396450206.db2.gz QZJUAYDZJGUBLJ-AEFFLSMTSA-N 2 1 283.419 2.460 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000647249300 396450237 /nfs/dbraw/zinc/45/02/37/396450237.db2.gz QDWHSAWESCYQAI-HPBDAGMYSA-N 2 1 288.435 2.489 20 0 CEADMP Cc1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000063201267 400242352 /nfs/dbraw/zinc/24/23/52/400242352.db2.gz HODBDKOLWKKSPP-AWEZNQCLSA-N 2 1 260.385 2.062 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000309763514 400340990 /nfs/dbraw/zinc/34/09/90/400340990.db2.gz CUZOXBUMVZKHAU-CRAIPNDOSA-N 2 1 298.434 2.361 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000309763514 400340992 /nfs/dbraw/zinc/34/09/92/400340992.db2.gz CUZOXBUMVZKHAU-CRAIPNDOSA-N 2 1 298.434 2.361 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000347307208 400370982 /nfs/dbraw/zinc/37/09/82/400370982.db2.gz AYPULUWHKIORQV-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC[C@H]2O)CC1 ZINC000574360043 400605896 /nfs/dbraw/zinc/60/58/96/400605896.db2.gz VVSGTBXCZQGCPT-GOEBONIOSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705513 400997877 /nfs/dbraw/zinc/99/78/77/400997877.db2.gz KBOMUZGFAPDSFB-DZKIICNBSA-N 2 1 293.411 2.010 20 0 CEADMP CCO[C@@H]1C[N@@H+](C[C@H](CC)c2ccccc2)C[C@H]1C[NH3+] ZINC000650714510 401004759 /nfs/dbraw/zinc/00/47/59/401004759.db2.gz JQRKWBOKWQCCSB-USXIJHARSA-N 2 1 276.424 2.476 20 0 CEADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000650716667 401005451 /nfs/dbraw/zinc/00/54/51/401005451.db2.gz GIIRDEDMEUIYPY-HYVNUMGLSA-N 3 1 291.414 2.295 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2nccs2)C1 ZINC000650723046 401011922 /nfs/dbraw/zinc/01/19/22/401011922.db2.gz GVQZVTRUTGKELT-AGIUHOORSA-N 2 1 281.425 2.004 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2nccs2)C1 ZINC000650723046 401011925 /nfs/dbraw/zinc/01/19/25/401011925.db2.gz GVQZVTRUTGKELT-AGIUHOORSA-N 2 1 281.425 2.004 20 0 CEADMP CC(C)CC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723491 401012246 /nfs/dbraw/zinc/01/22/46/401012246.db2.gz OZVNKZBVTXZGIF-RRFJBIMHSA-N 2 1 254.418 2.393 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H](C)c1c[nH+]ccc1N ZINC000650739918 401016697 /nfs/dbraw/zinc/01/66/97/401016697.db2.gz BNKOMYLZCLYHHY-CYBMUJFWSA-N 2 1 264.417 2.123 20 0 CEADMP CCCC(C)(C)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000651332997 401314592 /nfs/dbraw/zinc/31/45/92/401314592.db2.gz SNHKUAPQKWKBQC-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP CCCC(C)(C)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000651332997 401314594 /nfs/dbraw/zinc/31/45/94/401314594.db2.gz SNHKUAPQKWKBQC-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP COC[C@@H](CC(C)(C)C)[NH2+]CCn1cc[nH+]c1C ZINC000651693435 401372938 /nfs/dbraw/zinc/37/29/38/401372938.db2.gz NVFQBTHHHOYBEH-CYBMUJFWSA-N 2 1 253.390 2.232 20 0 CEADMP C[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651982762 401427583 /nfs/dbraw/zinc/42/75/83/401427583.db2.gz HRYIMFDTGNUNRG-YUELXQCFSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H]([NH3+])CNC(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000652222518 401467056 /nfs/dbraw/zinc/46/70/56/401467056.db2.gz QKVHIOJAERHRHW-AWEZNQCLSA-N 2 1 298.475 2.068 20 0 CEADMP [NH3+]CCC[N@@H+](Cc1cc2n(n1)CCC2)CC1CCCC1 ZINC000652340660 401490756 /nfs/dbraw/zinc/49/07/56/401490756.db2.gz CAHPVRCWGAHZBX-UHFFFAOYSA-N 2 1 276.428 2.170 20 0 CEADMP [NH3+]CCC[N@H+](Cc1cc2n(n1)CCC2)CC1CCCC1 ZINC000652340660 401490759 /nfs/dbraw/zinc/49/07/59/401490759.db2.gz CAHPVRCWGAHZBX-UHFFFAOYSA-N 2 1 276.428 2.170 20 0 CEADMP CCCCOCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348279 401491488 /nfs/dbraw/zinc/49/14/88/401491488.db2.gz ZWRBVCSLEJPFMD-JYJNAYRXSA-N 2 1 284.444 2.021 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000652353389 401492391 /nfs/dbraw/zinc/49/23/91/401492391.db2.gz DDOXXDQHDLKNQC-WBMJQRKESA-N 2 1 296.842 2.272 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000652353389 401492392 /nfs/dbraw/zinc/49/23/92/401492392.db2.gz DDOXXDQHDLKNQC-WBMJQRKESA-N 2 1 296.842 2.272 20 0 CEADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652355165 401493227 /nfs/dbraw/zinc/49/32/27/401493227.db2.gz QHAYXQCTOUWGMX-JYJNAYRXSA-N 2 1 297.487 2.329 20 0 CEADMP CCn1cc(C[N@@H+](CC[C@H]2CC[NH2+]C2)C(C)C)cn1 ZINC000652358517 401494263 /nfs/dbraw/zinc/49/42/63/401494263.db2.gz OGMJTLWKPSJCHP-CQSZACIVSA-N 2 1 264.417 2.113 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC2CCC2)C1 ZINC000652361909 401494288 /nfs/dbraw/zinc/49/42/88/401494288.db2.gz SHMJNVSJALDDRM-ILXRZTDVSA-N 2 1 252.402 2.147 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CCCO)CC1 ZINC000360100053 155215391 /nfs/dbraw/zinc/21/53/91/155215391.db2.gz WFGHFOKYXBYDOW-UHFFFAOYSA-N 2 1 279.428 2.456 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3ccncc3)CC[C@@H]21 ZINC000360437835 155297790 /nfs/dbraw/zinc/29/77/90/155297790.db2.gz OIWLRZWTYVYJCC-SJORKVTESA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3ccncc3)CC[C@@H]21 ZINC000360437835 155297794 /nfs/dbraw/zinc/29/77/94/155297794.db2.gz OIWLRZWTYVYJCC-SJORKVTESA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3ccncc3)CC[C@@H]21 ZINC000360437835 155297797 /nfs/dbraw/zinc/29/77/97/155297797.db2.gz OIWLRZWTYVYJCC-SJORKVTESA-N 2 1 273.424 2.430 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000360494601 155313703 /nfs/dbraw/zinc/31/37/03/155313703.db2.gz GJRZJJLPFSALGV-GFCCVEGCSA-N 2 1 276.428 2.396 20 0 CEADMP CCc1[nH+]ccn1[C@@H]1CCCN(CC[NH2+]C(C)C)C1 ZINC000193439691 153231934 /nfs/dbraw/zinc/23/19/34/153231934.db2.gz NEIPFQOKVIQXES-CQSZACIVSA-N 2 1 264.417 2.080 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000193910535 153243801 /nfs/dbraw/zinc/24/38/01/153243801.db2.gz CXKFHVAOJMTTOO-OAHLLOKOSA-N 2 1 275.396 2.367 20 0 CEADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C1CCOCC1 ZINC000223842464 153323688 /nfs/dbraw/zinc/32/36/88/153323688.db2.gz LWYZQYTZVXFPPI-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000351857316 154318536 /nfs/dbraw/zinc/31/85/36/154318536.db2.gz XFNXWTNNVZJFSK-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000351857316 154318543 /nfs/dbraw/zinc/31/85/43/154318543.db2.gz XFNXWTNNVZJFSK-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP CCc1ccc(C[NH2+]C2CC[NH+](CCCOC)CC2)cn1 ZINC000352771165 154329515 /nfs/dbraw/zinc/32/95/15/154329515.db2.gz NAGZPIWNSIZNAU-UHFFFAOYSA-N 2 1 291.439 2.235 20 0 CEADMP [NH3+]CCOCC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000357071922 154370442 /nfs/dbraw/zinc/37/04/42/154370442.db2.gz CMRUQYCRKTZISG-UHFFFAOYSA-N 2 1 266.360 2.013 20 0 CEADMP CC(C)(C)c1noc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000357072393 154370836 /nfs/dbraw/zinc/37/08/36/154370836.db2.gz KSTMKFAHCGJVJJ-ZDUSSCGKSA-N 2 1 292.427 2.189 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357084521 154379105 /nfs/dbraw/zinc/37/91/05/154379105.db2.gz QRBRPNMSQIFJHY-HZPDHXFCSA-N 2 1 274.408 2.169 20 0 CEADMP CCCC1CCC([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358173344 154500811 /nfs/dbraw/zinc/50/08/11/154500811.db2.gz WQDPMGKUHLUXJM-YMAMQOFZSA-N 2 1 254.418 2.002 20 0 CEADMP CCCC1CCC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358173344 154500814 /nfs/dbraw/zinc/50/08/14/154500814.db2.gz WQDPMGKUHLUXJM-YMAMQOFZSA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)CCOCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363559606 156030676 /nfs/dbraw/zinc/03/06/76/156030676.db2.gz GICMQGHPKBYUTH-IKGGRYGDSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)CCOCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363559606 156030682 /nfs/dbraw/zinc/03/06/82/156030682.db2.gz GICMQGHPKBYUTH-IKGGRYGDSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)CCOCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363559606 156030686 /nfs/dbraw/zinc/03/06/86/156030686.db2.gz GICMQGHPKBYUTH-IKGGRYGDSA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000363938181 156052382 /nfs/dbraw/zinc/05/23/82/156052382.db2.gz JTXZIWPTARYTLR-HNNXBMFYSA-N 2 1 254.418 2.363 20 0 CEADMP c1cncc(-c2c[nH+]ccc2NCC[N@@H+]2CC=CCC2)c1 ZINC000367426700 156182347 /nfs/dbraw/zinc/18/23/47/156182347.db2.gz RENYHRMMBYPGDL-UHFFFAOYSA-N 2 1 280.375 2.239 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccsc2)[C@@H]2CCC[C@@H]21 ZINC000367611632 156213847 /nfs/dbraw/zinc/21/38/47/156213847.db2.gz CLLDDURPGXFUMS-VGWMRTNUSA-N 2 1 294.464 2.418 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(O)c2)[C@H]2CCC[C@H]21 ZINC000367599153 156215521 /nfs/dbraw/zinc/21/55/21/156215521.db2.gz GRTORPLBEGCJHO-OWCLPIDISA-N 2 1 260.381 2.355 20 0 CEADMP Cc1cnn([C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000368087708 156285751 /nfs/dbraw/zinc/28/57/51/156285751.db2.gz CBQRJQDLMWTOCZ-MRXNPFEDSA-N 2 1 276.428 2.314 20 0 CEADMP Cc1cnn([C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000368087708 156285753 /nfs/dbraw/zinc/28/57/53/156285753.db2.gz CBQRJQDLMWTOCZ-MRXNPFEDSA-N 2 1 276.428 2.314 20 0 CEADMP Clc1cccnc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000530218869 298054264 /nfs/dbraw/zinc/05/42/64/298054264.db2.gz HSBUPVFDSYFYOK-TXEJJXNPSA-N 2 1 265.788 2.166 20 0 CEADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000375655600 157120483 /nfs/dbraw/zinc/12/04/83/157120483.db2.gz MVMJZQKFHWIFSL-HLLBOEOZSA-N 2 1 289.423 2.113 20 0 CEADMP CC[NH+](CC)CCCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375762433 157140745 /nfs/dbraw/zinc/14/07/45/157140745.db2.gz JXHGEXDHCBWZGL-XYPWUTKMSA-N 2 1 267.461 2.275 20 0 CEADMP CC1CC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000375848019 157152806 /nfs/dbraw/zinc/15/28/06/157152806.db2.gz CHRMWZCXCGNWLL-ZACQAIPSSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cscn1 ZINC000535063589 298182685 /nfs/dbraw/zinc/18/26/85/298182685.db2.gz BPSOTWWCXDPTSN-CHWSQXEVSA-N 2 1 283.441 2.031 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1cnn(C)c1 ZINC000165270627 162345164 /nfs/dbraw/zinc/34/51/64/162345164.db2.gz VCTJNKPAUUHHSK-HIFRSBDPSA-N 2 1 264.417 2.193 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000168621371 162366254 /nfs/dbraw/zinc/36/62/54/162366254.db2.gz NFVZKBSARLWPMG-HIFRSBDPSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@@H]([NH2+]CC1(C)COC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347939882 287016975 /nfs/dbraw/zinc/01/69/75/287016975.db2.gz VJROCDYDRYHSCA-KGLIPLIRSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)OC(=O)CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000173691820 165080391 /nfs/dbraw/zinc/08/03/91/165080391.db2.gz OJVBQJQBSXUGNA-UHFFFAOYSA-N 2 1 293.411 2.016 20 0 CEADMP CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000174131588 165093944 /nfs/dbraw/zinc/09/39/44/165093944.db2.gz WCNOTWSFULUAIV-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)C2CCC2)CC1 ZINC000178004775 165216730 /nfs/dbraw/zinc/21/67/30/165216730.db2.gz GUQAYKZQMPRLHR-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(Cc3cn4ccsc4n3)CC[C@@H]21 ZINC000178633820 165251057 /nfs/dbraw/zinc/25/10/57/165251057.db2.gz GTVDOLSJWOVQQQ-OCCSQVGLSA-N 2 1 290.436 2.312 20 0 CEADMP COC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C(C)C ZINC000178704683 165257690 /nfs/dbraw/zinc/25/76/90/165257690.db2.gz ZRQSQDSWCWJZEI-JSGCOSHPSA-N 2 1 253.390 2.088 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000181692963 165352386 /nfs/dbraw/zinc/35/23/86/165352386.db2.gz KFUBVWQCGHWZGM-BVUBDWEXSA-N 2 1 289.423 2.375 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000020146350 171032745 /nfs/dbraw/zinc/03/27/45/171032745.db2.gz DMHPKJKSFWLDTK-UHFFFAOYSA-N 2 1 278.444 2.249 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000252118425 287269111 /nfs/dbraw/zinc/26/91/11/287269111.db2.gz IZBPSZULXLMYPY-OAGGEKHMSA-N 2 1 267.461 2.358 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000252118425 287269112 /nfs/dbraw/zinc/26/91/12/287269112.db2.gz IZBPSZULXLMYPY-OAGGEKHMSA-N 3 1 267.461 2.358 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000252118425 287269113 /nfs/dbraw/zinc/26/91/13/287269113.db2.gz IZBPSZULXLMYPY-OAGGEKHMSA-N 3 1 267.461 2.358 20 0 CEADMP C[N@H+](C[C@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285447802 196286756 /nfs/dbraw/zinc/28/67/56/196286756.db2.gz IWBIWHLYFZGVBL-WFVVYAPDSA-N 2 1 274.408 2.277 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285447802 196286758 /nfs/dbraw/zinc/28/67/58/196286758.db2.gz IWBIWHLYFZGVBL-WFVVYAPDSA-N 2 1 274.408 2.277 20 0 CEADMP C[NH+](C[C@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285447802 196286759 /nfs/dbraw/zinc/28/67/59/196286759.db2.gz IWBIWHLYFZGVBL-WFVVYAPDSA-N 2 1 274.408 2.277 20 0 CEADMP C[NH+](C[C@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285447802 196286760 /nfs/dbraw/zinc/28/67/60/196286760.db2.gz IWBIWHLYFZGVBL-WFVVYAPDSA-N 2 1 274.408 2.277 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2c(c1)CCO2 ZINC000037256191 173067179 /nfs/dbraw/zinc/06/71/79/173067179.db2.gz LYFBAHAUYIFPGP-GFCCVEGCSA-N 2 1 260.381 2.366 20 0 CEADMP CCC[N@H+](Cc1cc(C(=O)OC)c(C)o1)C1CC[NH2+]CC1 ZINC000037538918 173259322 /nfs/dbraw/zinc/25/93/22/173259322.db2.gz YJWUZYYAWPBGGE-UHFFFAOYSA-N 2 1 294.395 2.339 20 0 CEADMP CCC[N@@H+](Cc1cc(C(=O)OC)c(C)o1)C1CC[NH2+]CC1 ZINC000037538918 173259324 /nfs/dbraw/zinc/25/93/24/173259324.db2.gz YJWUZYYAWPBGGE-UHFFFAOYSA-N 2 1 294.395 2.339 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)c(OC)c1 ZINC000038040909 174041284 /nfs/dbraw/zinc/04/12/84/174041284.db2.gz NOZJYURKCJHBDM-LLVKDONJSA-N 2 1 264.369 2.106 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000040747095 174392913 /nfs/dbraw/zinc/39/29/13/174392913.db2.gz LJFHWYZZLOVWLB-YIONKMFJSA-N 2 1 289.423 2.422 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@H](C)CO1 ZINC000403743472 414768151 /nfs/dbraw/zinc/76/81/51/414768151.db2.gz KFWIQEDFMVXNQS-DYVFJYSZSA-N 2 1 274.408 2.332 20 0 CEADMP CC[C@@H](C(=O)NCCC[N@@H+](CC)C1CCCCC1)[NH+](C)C ZINC000652756925 414780498 /nfs/dbraw/zinc/78/04/98/414780498.db2.gz ZDZPVTVPSQTSOR-INIZCTEOSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@H](O)C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CC1 ZINC000653900370 414782350 /nfs/dbraw/zinc/78/23/50/414782350.db2.gz UTIYDEAURZPBKC-ZDUSSCGKSA-N 2 1 271.364 2.218 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)[C@H]1CC[NH3+] ZINC000404401988 414783020 /nfs/dbraw/zinc/78/30/20/414783020.db2.gz RUQQZARUBJCRNU-ZBFHGGJFSA-N 2 1 289.423 2.465 20 0 CEADMP CC(C)O[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000404504794 414786355 /nfs/dbraw/zinc/78/63/55/414786355.db2.gz AWLGHAJOHULAIH-RBSFLKMASA-N 2 1 254.418 2.264 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2c(C)cc(C)cc2C)C[C@H]1C[NH3+] ZINC000405287254 414794508 /nfs/dbraw/zinc/79/45/08/414794508.db2.gz FKTGKBMTKCILRA-NVXWUHKLSA-N 2 1 276.424 2.407 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cc(C)sc2C)C[C@H]1C[NH3+] ZINC000405739386 414796547 /nfs/dbraw/zinc/79/65/47/414796547.db2.gz YZBITWZHPLOUTC-ZIAGYGMSSA-N 2 1 268.426 2.161 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653112761 414907909 /nfs/dbraw/zinc/90/79/09/414907909.db2.gz JGQPDFPNDFSQCE-CABCVRRESA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653110763 414907940 /nfs/dbraw/zinc/90/79/40/414907940.db2.gz TVVNYURIMDIHDE-HOTGVXAUSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@H](C)O1 ZINC000663344121 414922788 /nfs/dbraw/zinc/92/27/88/414922788.db2.gz OMELPFWMYUOJGD-VRKREXBASA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H](C(=O)NCC1([NH+](C)C)CCCCCC1)[NH+]1CC(C)C1 ZINC000654397041 414924006 /nfs/dbraw/zinc/92/40/06/414924006.db2.gz SGCQNHLZUMFCPT-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP COC1(CC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)CCC1 ZINC000660662713 414925243 /nfs/dbraw/zinc/92/52/43/414925243.db2.gz LSNFRIFEROSTMO-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP Cc1cccc(CCN2CCC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000660664735 414925460 /nfs/dbraw/zinc/92/54/60/414925460.db2.gz RVNSOYWQODYHLQ-QGZVFWFLSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1cccc(CC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000660664735 414925463 /nfs/dbraw/zinc/92/54/63/414925463.db2.gz RVNSOYWQODYHLQ-QGZVFWFLSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1cccc(CC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000660664735 414925467 /nfs/dbraw/zinc/92/54/67/414925467.db2.gz RVNSOYWQODYHLQ-QGZVFWFLSA-N 2 1 273.424 2.350 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1=CCCC1 ZINC000663363349 414929242 /nfs/dbraw/zinc/92/92/42/414929242.db2.gz JUWOFRVAJRALTK-KRWDZBQOSA-N 2 1 274.408 2.179 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1=CCCC1 ZINC000663363349 414929245 /nfs/dbraw/zinc/92/92/45/414929245.db2.gz JUWOFRVAJRALTK-KRWDZBQOSA-N 2 1 274.408 2.179 20 0 CEADMP c1cn(CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cn1 ZINC000660675691 414931204 /nfs/dbraw/zinc/93/12/04/414931204.db2.gz KQMDHVBPZZPCGH-UHFFFAOYSA-N 2 1 284.407 2.137 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000653176442 414937698 /nfs/dbraw/zinc/93/76/98/414937698.db2.gz VGYSXKCQWFMVLO-HOTGVXAUSA-N 2 1 297.487 2.106 20 0 CEADMP COc1ccccc1OCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000314460270 414870719 /nfs/dbraw/zinc/87/07/19/414870719.db2.gz YSWICKGPSYTYKV-YOEHRIQHSA-N 2 1 290.407 2.135 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2C)CO1 ZINC000657374816 414894245 /nfs/dbraw/zinc/89/42/45/414894245.db2.gz QYGKQBPOIRPWAM-KBPBESRZSA-N 2 1 251.374 2.129 20 0 CEADMP N[C@@H]1C[N@H+](Cc2cccc3cnccc32)CC[C@H]1F ZINC000663506786 414975151 /nfs/dbraw/zinc/97/51/51/414975151.db2.gz YMVHSFCTUVFZMZ-HUUCEWRRSA-N 2 1 259.328 2.106 20 0 CEADMP N[C@@H]1C[N@@H+](Cc2cccc3cnccc32)CC[C@H]1F ZINC000663506786 414975156 /nfs/dbraw/zinc/97/51/56/414975156.db2.gz YMVHSFCTUVFZMZ-HUUCEWRRSA-N 2 1 259.328 2.106 20 0 CEADMP C[C@@H](Nc1[nH+]ccc2[nH]ccc21)[C@@H](C)[NH+]1CCOCC1 ZINC000663547322 414986353 /nfs/dbraw/zinc/98/63/53/414986353.db2.gz RPVMESXFZORMDA-VXGBXAGGSA-N 2 1 274.368 2.084 20 0 CEADMP OC/C=C/C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657593110 415016879 /nfs/dbraw/zinc/01/68/79/415016879.db2.gz DEEVKRWCZWXSHB-BDUNBXCCSA-N 2 1 286.419 2.322 20 0 CEADMP OC/C=C/C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657593110 415016882 /nfs/dbraw/zinc/01/68/82/415016882.db2.gz DEEVKRWCZWXSHB-BDUNBXCCSA-N 2 1 286.419 2.322 20 0 CEADMP CC1CCC(O)(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000663463548 414961186 /nfs/dbraw/zinc/96/11/86/414961186.db2.gz DWABHOCKEUPVQB-RZFLTCLSSA-N 2 1 280.456 2.390 20 0 CEADMP OC1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663465742 414963846 /nfs/dbraw/zinc/96/38/46/414963846.db2.gz LANBDSNCSVICNL-QQFBHYJXSA-N 2 1 266.429 2.002 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000653597298 415048580 /nfs/dbraw/zinc/04/85/80/415048580.db2.gz KDUOHYIGFAALET-JKSUJKDBSA-N 2 1 291.439 2.491 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000653597298 415048586 /nfs/dbraw/zinc/04/85/86/415048586.db2.gz KDUOHYIGFAALET-JKSUJKDBSA-N 2 1 291.439 2.491 20 0 CEADMP OC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC(F)(F)CC1 ZINC000657778689 415076512 /nfs/dbraw/zinc/07/65/12/415076512.db2.gz ULGKUKJLUBHARZ-STQMWFEESA-N 2 1 288.382 2.143 20 0 CEADMP CC(C)[NH2+]C1(CO)CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000653727192 415087171 /nfs/dbraw/zinc/08/71/71/415087171.db2.gz QDARPKYYKGYMFE-KRWDZBQOSA-N 2 1 288.435 2.499 20 0 CEADMP c1cc2n(n1)CCC[C@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000657823488 415095465 /nfs/dbraw/zinc/09/54/65/415095465.db2.gz HQWYSJXAZLSQOG-CQSZACIVSA-N 2 1 262.401 2.184 20 0 CEADMP CC[N@H+](C)C[C@H](O)CN1CCC(n2c(C)ccc2C)CC1 ZINC000653535122 415027812 /nfs/dbraw/zinc/02/78/12/415027812.db2.gz IJAAOZCYYJBZIH-KRWDZBQOSA-N 2 1 293.455 2.054 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN1CCC(n2c(C)ccc2C)CC1 ZINC000653535122 415027813 /nfs/dbraw/zinc/02/78/13/415027813.db2.gz IJAAOZCYYJBZIH-KRWDZBQOSA-N 2 1 293.455 2.054 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000653556826 415033030 /nfs/dbraw/zinc/03/30/30/415033030.db2.gz LROIPKYIPNSXGO-CVEARBPZSA-N 2 1 266.429 2.121 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]2(CC=CCC2)C1 ZINC000653556826 415033033 /nfs/dbraw/zinc/03/30/33/415033033.db2.gz LROIPKYIPNSXGO-CVEARBPZSA-N 2 1 266.429 2.121 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]2(CC=CCC2)C1 ZINC000653556826 415033037 /nfs/dbraw/zinc/03/30/37/415033037.db2.gz LROIPKYIPNSXGO-CVEARBPZSA-N 2 1 266.429 2.121 20 0 CEADMP Cn1cncc1CCC[N@@H+](CCCO)Cc1ccccc1 ZINC000653571012 415040469 /nfs/dbraw/zinc/04/04/69/415040469.db2.gz PUZSBYYMRPSXDG-UHFFFAOYSA-N 2 1 287.407 2.237 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](CCCO)Cc1ccccc1 ZINC000653571012 415040474 /nfs/dbraw/zinc/04/04/74/415040474.db2.gz PUZSBYYMRPSXDG-UHFFFAOYSA-N 2 1 287.407 2.237 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](CCCO)Cc1ccccc1 ZINC000653571012 415040480 /nfs/dbraw/zinc/04/04/80/415040480.db2.gz PUZSBYYMRPSXDG-UHFFFAOYSA-N 2 1 287.407 2.237 20 0 CEADMP C[NH+]1CCC(N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000657675566 415045931 /nfs/dbraw/zinc/04/59/31/415045931.db2.gz VXUGXASYUHCXSY-HNNXBMFYSA-N 2 1 265.445 2.077 20 0 CEADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000657875263 415110604 /nfs/dbraw/zinc/11/06/04/415110604.db2.gz IMSRQKVDYFALRZ-CABCVRRESA-N 2 1 284.831 2.173 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661216368 415141794 /nfs/dbraw/zinc/14/17/94/415141794.db2.gz KSJRINWJAPUUMT-MRXNPFEDSA-N 2 1 290.451 2.135 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCc2ccccc2C(C)(C)C1 ZINC000661216368 415141799 /nfs/dbraw/zinc/14/17/99/415141799.db2.gz KSJRINWJAPUUMT-MRXNPFEDSA-N 2 1 290.451 2.135 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCc2ccccc2C(C)(C)C1 ZINC000661216368 415141803 /nfs/dbraw/zinc/14/18/03/415141803.db2.gz KSJRINWJAPUUMT-MRXNPFEDSA-N 2 1 290.451 2.135 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661216368 415141805 /nfs/dbraw/zinc/14/18/05/415141805.db2.gz KSJRINWJAPUUMT-MRXNPFEDSA-N 2 1 290.451 2.135 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000044495134 175182670 /nfs/dbraw/zinc/18/26/70/175182670.db2.gz RVFHGPXCWFDTBP-CQSZACIVSA-N 2 1 264.417 2.430 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000658233006 415268643 /nfs/dbraw/zinc/26/86/43/415268643.db2.gz FYBJRYCRIFLIKZ-WBVHZDCISA-N 2 1 290.455 2.205 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(O)cc32)CC[N@@H+]1C ZINC000658239960 415273027 /nfs/dbraw/zinc/27/30/27/415273027.db2.gz WYAGXZVWJNAJRR-PVXIVEMSSA-N 2 1 260.381 2.452 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(O)cc32)CC[N@H+]1C ZINC000658239960 415273031 /nfs/dbraw/zinc/27/30/31/415273031.db2.gz WYAGXZVWJNAJRR-PVXIVEMSSA-N 2 1 260.381 2.452 20 0 CEADMP OC/C=C\C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658139421 415227915 /nfs/dbraw/zinc/22/79/15/415227915.db2.gz PLHJGYJYQWLQJC-KWPNGNFOSA-N 2 1 286.419 2.320 20 0 CEADMP CC1(C)OCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658333289 415324023 /nfs/dbraw/zinc/32/40/23/415324023.db2.gz XFURETBOAKPRGV-GFCCVEGCSA-N 2 1 252.402 2.018 20 0 CEADMP C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)COCC1CC1 ZINC000655697970 415394999 /nfs/dbraw/zinc/39/49/99/415394999.db2.gz SJFABUROAMLJQC-KRWDZBQOSA-N 2 1 296.455 2.036 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661690604 415401869 /nfs/dbraw/zinc/40/18/69/415401869.db2.gz SBIALIQJAGNDRK-ZDUSSCGKSA-N 2 1 253.365 2.424 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](CCF)C1 ZINC000661690604 415401878 /nfs/dbraw/zinc/40/18/78/415401878.db2.gz SBIALIQJAGNDRK-ZDUSSCGKSA-N 2 1 253.365 2.424 20 0 CEADMP CCC[C@H](CCO)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655717507 415408500 /nfs/dbraw/zinc/40/85/00/415408500.db2.gz DURHSCLMVVNGNQ-NVXWUHKLSA-N 2 1 298.471 2.018 20 0 CEADMP CC(C)(CCCO)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655723352 415411919 /nfs/dbraw/zinc/41/19/19/415411919.db2.gz JRRXLIBOFKVJJQ-INIZCTEOSA-N 2 1 298.471 2.018 20 0 CEADMP Cc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655682948 415384111 /nfs/dbraw/zinc/38/41/11/415384111.db2.gz NYZQQZOSYJGRDE-KRWDZBQOSA-N 2 1 274.408 2.338 20 0 CEADMP COc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655683447 415384803 /nfs/dbraw/zinc/38/48/03/415384803.db2.gz RPVIJDBAZSPUCC-INIZCTEOSA-N 2 1 290.407 2.038 20 0 CEADMP Cc1c[nH+]ccc1NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000664631477 415431991 /nfs/dbraw/zinc/43/19/91/415431991.db2.gz LYXIZYFAHJLVDT-MRXNPFEDSA-N 2 1 267.376 2.498 20 0 CEADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(F)(F)F ZINC000655763360 415445824 /nfs/dbraw/zinc/44/58/24/415445824.db2.gz NZNIQFYYXANDIA-LBPRGKRZSA-N 2 1 294.361 2.418 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000661759478 415448059 /nfs/dbraw/zinc/44/80/59/415448059.db2.gz WGTHWQDRCVULCD-DLBZAZTESA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000661759478 415448065 /nfs/dbraw/zinc/44/80/65/415448065.db2.gz WGTHWQDRCVULCD-DLBZAZTESA-N 2 1 276.424 2.258 20 0 CEADMP CC1(C)C[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000655774660 415456698 /nfs/dbraw/zinc/45/66/98/415456698.db2.gz DALBMRHIQNTPMB-GOEBONIOSA-N 2 1 296.455 2.035 20 0 CEADMP COC1([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000655776748 415458806 /nfs/dbraw/zinc/45/88/06/415458806.db2.gz OLQQQQKMAQBJLA-HOCLYGCPSA-N 2 1 296.455 2.177 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000655785261 415465142 /nfs/dbraw/zinc/46/51/42/415465142.db2.gz IUFHYGPGGXBGBF-JKSUJKDBSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1nnc2n1CCCCC2 ZINC000656197524 415632877 /nfs/dbraw/zinc/63/28/77/415632877.db2.gz PXGPZBWHJCQKLY-RDBSUJKOSA-N 2 1 291.443 2.315 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(N)c2)[C@H]2CCC[C@H]21 ZINC000665233031 415635032 /nfs/dbraw/zinc/63/50/32/415635032.db2.gz ZOYLFUZDGKHAFN-OWCLPIDISA-N 2 1 259.397 2.231 20 0 CEADMP CCC(C)(C)[NH+]1CCN(C2CCC(C[NH3+])CC2)CC1 ZINC000656200783 415635922 /nfs/dbraw/zinc/63/59/22/415635922.db2.gz QNVLPDROMPLPLO-UHFFFAOYSA-N 2 1 267.461 2.310 20 0 CEADMP Cc1nccn1CC[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000662023264 415577293 /nfs/dbraw/zinc/57/72/93/415577293.db2.gz YKUUMOZCCLBRBF-KRWDZBQOSA-N 2 1 284.407 2.402 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000662023264 415577297 /nfs/dbraw/zinc/57/72/97/415577297.db2.gz YKUUMOZCCLBRBF-KRWDZBQOSA-N 2 1 284.407 2.402 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000662023264 415577302 /nfs/dbraw/zinc/57/73/02/415577302.db2.gz YKUUMOZCCLBRBF-KRWDZBQOSA-N 2 1 284.407 2.402 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000665257958 415654064 /nfs/dbraw/zinc/65/40/64/415654064.db2.gz ZWYZRMNHFLVXCX-KKBVYLPWSA-N 2 1 292.398 2.428 20 0 CEADMP C[C@@H](c1ccccc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153776 415659268 /nfs/dbraw/zinc/65/92/68/415659268.db2.gz CBNINLVSFPKWTL-YOEHRIQHSA-N 2 1 274.408 2.279 20 0 CEADMP C[C@@H](c1ccccc1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153776 415659275 /nfs/dbraw/zinc/65/92/75/415659275.db2.gz CBNINLVSFPKWTL-YOEHRIQHSA-N 2 1 274.408 2.279 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000665265513 415659584 /nfs/dbraw/zinc/65/95/84/415659584.db2.gz XDSMLIKYHMSLFX-ZIAGYGMSSA-N 2 1 262.401 2.047 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665267007 415660877 /nfs/dbraw/zinc/66/08/77/415660877.db2.gz NTFRYZUBVKKQRW-VYDXJSESSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1c[nH+]ccc1N ZINC000665272543 415663339 /nfs/dbraw/zinc/66/33/39/415663339.db2.gz HBIWHLLFIJVKGG-QLJPJBMISA-N 2 1 268.364 2.414 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1c[nH+]ccc1N ZINC000665274386 415664960 /nfs/dbraw/zinc/66/49/60/415664960.db2.gz PAXBPQYKXTWXIU-LDYMZIIASA-N 2 1 255.312 2.436 20 0 CEADMP CCc1ccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)s1 ZINC000665290506 415679283 /nfs/dbraw/zinc/67/92/83/415679283.db2.gz BQBYXUJXJYVOMU-VIFPVBQESA-N 2 1 292.408 2.116 20 0 CEADMP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000665290729 415680816 /nfs/dbraw/zinc/68/08/16/415680816.db2.gz IZDBJWHDHTVRBE-SECBINFHSA-N 2 1 292.770 2.145 20 0 CEADMP C[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000665299099 415684711 /nfs/dbraw/zinc/68/47/11/415684711.db2.gz GFVKEORWVPBLDU-PVAVHDDUSA-N 3 1 279.472 2.229 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299327 415685298 /nfs/dbraw/zinc/68/52/98/415685298.db2.gz KQLWCRXUJQSHCG-GVDBMIGSSA-N 3 1 279.472 2.358 20 0 CEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662253990 415721829 /nfs/dbraw/zinc/72/18/29/415721829.db2.gz DFCYKLUJLXUSJP-CABCVRRESA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@H]1CCCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254771 415721958 /nfs/dbraw/zinc/72/19/58/415721958.db2.gz LIWQWPWQWHMCML-UONOGXRCSA-N 2 1 252.402 2.162 20 0 CEADMP FC(F)(F)CC[N@@H+](CC1CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257153 415725481 /nfs/dbraw/zinc/72/54/81/415725481.db2.gz AXQBTXZJBBIVCI-GFCCVEGCSA-N 2 1 292.345 2.172 20 0 CEADMP CCC[C@]1(C)CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256726 415725862 /nfs/dbraw/zinc/72/58/62/415725862.db2.gz YFMLPOUGGLVKMS-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP CO[C@H](C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)C1CCCC1 ZINC000662247787 415710482 /nfs/dbraw/zinc/71/04/82/415710482.db2.gz KXZMTNFOGANEEQ-HUUCEWRRSA-N 2 1 256.434 2.497 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccc2c(c1)OC(F)(F)O2 ZINC000662282516 415748509 /nfs/dbraw/zinc/74/85/09/415748509.db2.gz BBVJDXKZJDVSHH-JQWIXIFHSA-N 2 1 298.333 2.362 20 0 CEADMP OCC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000662299857 415762206 /nfs/dbraw/zinc/76/22/06/415762206.db2.gz YOIZICYDZDKNDL-KRWDZBQOSA-N 2 1 274.408 2.069 20 0 CEADMP C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)OCC1CC1 ZINC000662297446 415763585 /nfs/dbraw/zinc/76/35/85/415763585.db2.gz QALSYAJTHGNHDB-INIZCTEOSA-N 2 1 266.429 2.125 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CC2=CCCOC2)cc1 ZINC000662304816 415768354 /nfs/dbraw/zinc/76/83/54/415768354.db2.gz CBQGBOSOQSRMFN-MRXNPFEDSA-N 2 1 290.407 2.016 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CC2=CCCOC2)cc1 ZINC000662304813 415769181 /nfs/dbraw/zinc/76/91/81/415769181.db2.gz CBQGBOSOQSRMFN-INIZCTEOSA-N 2 1 290.407 2.016 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662316019 415773714 /nfs/dbraw/zinc/77/37/14/415773714.db2.gz VEEINJRGXOJFJL-MRXNPFEDSA-N 2 1 266.429 2.269 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@H]1CCc2ccccc21 ZINC000662320181 415777072 /nfs/dbraw/zinc/77/70/72/415777072.db2.gz AIIDCKRFKSRBHV-HZPDHXFCSA-N 2 1 286.419 2.169 20 0 CEADMP C[C@@H]1CN(C[C@H]2C[NH2+]CCO2)CCc2ccc(Cl)cc21 ZINC000662283595 415751266 /nfs/dbraw/zinc/75/12/66/415751266.db2.gz BENLKCMDPSGPST-IUODEOHRSA-N 2 1 294.826 2.290 20 0 CEADMP CC(C)(C)c1cccc(C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662283881 415752610 /nfs/dbraw/zinc/75/26/10/415752610.db2.gz LBUVPZMMBTWECK-UHFFFAOYSA-N 2 1 276.424 2.188 20 0 CEADMP CCO[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)C[C@H]1C[NH3+] ZINC000662286951 415754676 /nfs/dbraw/zinc/75/46/76/415754676.db2.gz URXKUIFUETZYSN-LZLYRXPVSA-N 2 1 288.435 2.402 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CCC1 ZINC000662287299 415757300 /nfs/dbraw/zinc/75/73/00/415757300.db2.gz XZKVBQBTRQZWQE-MWDXBVQZSA-N 2 1 296.455 2.020 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662439025 415844058 /nfs/dbraw/zinc/84/40/58/415844058.db2.gz GZKKEFYOUVJWQU-BBRMVZONSA-N 2 1 289.423 2.068 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCC2CCOCC2)CCO1 ZINC000662322802 415780777 /nfs/dbraw/zinc/78/07/77/415780777.db2.gz IQXDVJVMFNFQNI-KRWDZBQOSA-N 2 1 298.471 2.236 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000662325210 415781199 /nfs/dbraw/zinc/78/11/99/415781199.db2.gz CTSGPVGVHAKUMH-CQSZACIVSA-N 2 1 268.426 2.291 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000662325210 415781202 /nfs/dbraw/zinc/78/12/02/415781202.db2.gz CTSGPVGVHAKUMH-CQSZACIVSA-N 2 1 268.426 2.291 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H](CC(F)(F)F)O1 ZINC000662326609 415784644 /nfs/dbraw/zinc/78/46/44/415784644.db2.gz XDUCDOPJLDFTGJ-JHJVBQTASA-N 2 1 294.361 2.418 20 0 CEADMP C[C@@H]1CCN(c2cc[nH+]c(N3CCCCC3)n2)[C@H](C[NH3+])C1 ZINC000656611847 415787593 /nfs/dbraw/zinc/78/75/93/415787593.db2.gz MCXOLVVYYQEUHO-KGLIPLIRSA-N 2 1 289.427 2.031 20 0 CEADMP C[N@@H+](C[C@H](O)CN[C@@]1(c2ccccc2)CC1(C)C)C1CC1 ZINC000662340863 415789849 /nfs/dbraw/zinc/78/98/49/415789849.db2.gz NTNHZTLNLMNMKF-SJLPKXTDSA-N 2 1 288.435 2.357 20 0 CEADMP CN(C[C@H](O)C[NH2+][C@@]1(c2ccccc2)CC1(C)C)C1CC1 ZINC000662340863 415789854 /nfs/dbraw/zinc/78/98/54/415789854.db2.gz NTNHZTLNLMNMKF-SJLPKXTDSA-N 2 1 288.435 2.357 20 0 CEADMP C[N@@H+](C[C@@H](O)CN[C@]1(c2ccccc2)CC1(C)C)C1CC1 ZINC000662340867 415790341 /nfs/dbraw/zinc/79/03/41/415790341.db2.gz NTNHZTLNLMNMKF-WMZOPIPTSA-N 2 1 288.435 2.357 20 0 CEADMP CN(C[C@@H](O)C[NH2+][C@]1(c2ccccc2)CC1(C)C)C1CC1 ZINC000662340867 415790346 /nfs/dbraw/zinc/79/03/46/415790346.db2.gz NTNHZTLNLMNMKF-WMZOPIPTSA-N 2 1 288.435 2.357 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C1CCC1 ZINC000659975267 415819080 /nfs/dbraw/zinc/81/90/80/415819080.db2.gz WPNUGLGDDDHTQG-RDJZCZTQSA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CCC1 ZINC000659975267 415819083 /nfs/dbraw/zinc/81/90/83/415819083.db2.gz WPNUGLGDDDHTQG-RDJZCZTQSA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CCC1 ZINC000659975267 415819088 /nfs/dbraw/zinc/81/90/88/415819088.db2.gz WPNUGLGDDDHTQG-RDJZCZTQSA-N 2 1 280.456 2.465 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCO[C@H]2CC2(F)F)C1 ZINC000659982285 415825076 /nfs/dbraw/zinc/82/50/76/415825076.db2.gz JFPBGBWNMZAPMZ-STQMWFEESA-N 2 1 276.371 2.074 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCO[C@H]2CC2(F)F)C1 ZINC000659982285 415825082 /nfs/dbraw/zinc/82/50/82/415825082.db2.gz JFPBGBWNMZAPMZ-STQMWFEESA-N 2 1 276.371 2.074 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000659982285 415825088 /nfs/dbraw/zinc/82/50/88/415825088.db2.gz JFPBGBWNMZAPMZ-STQMWFEESA-N 2 1 276.371 2.074 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000659982285 415825094 /nfs/dbraw/zinc/82/50/94/415825094.db2.gz JFPBGBWNMZAPMZ-STQMWFEESA-N 2 1 276.371 2.074 20 0 CEADMP C[C@H]1CC(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C[C@H](C)C1 ZINC000656707300 415826867 /nfs/dbraw/zinc/82/68/67/415826867.db2.gz XBXSPVPINLVAQG-XJKCOSOUSA-N 2 1 268.445 2.103 20 0 CEADMP C[C@H]1CC(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H](C)C1 ZINC000656707300 415826869 /nfs/dbraw/zinc/82/68/69/415826869.db2.gz XBXSPVPINLVAQG-XJKCOSOUSA-N 2 1 268.445 2.103 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)sn1 ZINC000660113108 415885066 /nfs/dbraw/zinc/88/50/66/415885066.db2.gz MMFQEODVDMDDCE-DGCLKSJQSA-N 2 1 292.408 2.431 20 0 CEADMP COc1cc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)sn1 ZINC000660113108 415885071 /nfs/dbraw/zinc/88/50/71/415885071.db2.gz MMFQEODVDMDDCE-DGCLKSJQSA-N 2 1 292.408 2.431 20 0 CEADMP COc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)on1 ZINC000660114431 415887549 /nfs/dbraw/zinc/88/75/49/415887549.db2.gz HDAIXFIWNGOJSG-WFASDCNBSA-N 2 1 291.395 2.132 20 0 CEADMP CC(C)[NH+](CCc1nccs1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660125839 415893607 /nfs/dbraw/zinc/89/36/07/415893607.db2.gz LWENMRURMRKEMS-AWEZNQCLSA-N 2 1 299.484 2.097 20 0 CEADMP CC(C)[NH+](CCc1nccs1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660125839 415893608 /nfs/dbraw/zinc/89/36/08/415893608.db2.gz LWENMRURMRKEMS-AWEZNQCLSA-N 2 1 299.484 2.097 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](CCc1nccs1)C(C)C ZINC000660125839 415893610 /nfs/dbraw/zinc/89/36/10/415893610.db2.gz LWENMRURMRKEMS-AWEZNQCLSA-N 2 1 299.484 2.097 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CCc1nccs1)C(C)C ZINC000660125839 415893611 /nfs/dbraw/zinc/89/36/11/415893611.db2.gz LWENMRURMRKEMS-AWEZNQCLSA-N 2 1 299.484 2.097 20 0 CEADMP CN(CC[N@@H+](C)CCC1CCC1)C1CC[NH+](C)CC1 ZINC000660139180 415898620 /nfs/dbraw/zinc/89/86/20/415898620.db2.gz NEKDCMIQVKRDHZ-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000662461017 415852511 /nfs/dbraw/zinc/85/25/11/415852511.db2.gz XSYAOELLOLKOGN-PMPSAXMXSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+](Cc1ccc(-n2ccnc2)cc1)CC(C)(C)[NH3+] ZINC000656783662 415860475 /nfs/dbraw/zinc/86/04/75/415860475.db2.gz SPQVLTKYQLLWKN-UHFFFAOYSA-N 2 1 258.369 2.041 20 0 CEADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)CC(C)(C)[NH3+] ZINC000656783662 415860478 /nfs/dbraw/zinc/86/04/78/415860478.db2.gz SPQVLTKYQLLWKN-UHFFFAOYSA-N 2 1 258.369 2.041 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000656785586 415862575 /nfs/dbraw/zinc/86/25/75/415862575.db2.gz MJTBIBCRQZNSMQ-HNNXBMFYSA-N 2 1 289.423 2.307 20 0 CEADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C[C@H]2CCSC2)cc1 ZINC000656789176 415864274 /nfs/dbraw/zinc/86/42/74/415864274.db2.gz PRTMPKMQIBBFLG-FVQBIDKESA-N 2 1 276.449 2.475 20 0 CEADMP Cc1ccc([C@H]2CCN(C[C@@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC000660247937 415940362 /nfs/dbraw/zinc/94/03/62/415940362.db2.gz CYVHUXDAPCRCDE-ROUUACIJSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1ccc([C@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2)cc1 ZINC000660247937 415940367 /nfs/dbraw/zinc/94/03/67/415940367.db2.gz CYVHUXDAPCRCDE-ROUUACIJSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1ccc([C@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC000660247937 415940369 /nfs/dbraw/zinc/94/03/69/415940369.db2.gz CYVHUXDAPCRCDE-ROUUACIJSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1ccc([C@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660247937 415940375 /nfs/dbraw/zinc/94/03/75/415940375.db2.gz CYVHUXDAPCRCDE-ROUUACIJSA-N 2 1 290.451 2.485 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C[NH3+])CC(C)C)[C@@H](C)C1 ZINC000662746095 415951710 /nfs/dbraw/zinc/95/17/10/415951710.db2.gz QKHHDGBNYQRYDU-HRCADAONSA-N 2 1 297.487 2.186 20 0 CEADMP C[N@H+]1CC[C@H]2CCN(Cc3cnc4ccccc4n3)[C@@H]2C1 ZINC000660225364 415930644 /nfs/dbraw/zinc/93/06/44/415930644.db2.gz OUMOAJASBDUMRY-SUMWQHHRSA-N 2 1 282.391 2.156 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)CC(C)(C)C1 ZINC000660246999 415938913 /nfs/dbraw/zinc/93/89/13/415938913.db2.gz BPYAYBLWLYIHSQ-KBPBESRZSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000660246999 415938915 /nfs/dbraw/zinc/93/89/15/415938915.db2.gz BPYAYBLWLYIHSQ-KBPBESRZSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000660246999 415938919 /nfs/dbraw/zinc/93/89/19/415938919.db2.gz BPYAYBLWLYIHSQ-KBPBESRZSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)CC[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000079995700 177592624 /nfs/dbraw/zinc/59/26/24/177592624.db2.gz CECUUHOHMOLERQ-UHFFFAOYSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc2c(c1)OCO2 ZINC000566569329 299004797 /nfs/dbraw/zinc/00/47/97/299004797.db2.gz QADPUSNLXAHFSY-GFCCVEGCSA-N 2 1 287.363 2.432 20 0 CEADMP COC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192927701 227386221 /nfs/dbraw/zinc/38/62/21/227386221.db2.gz YBUKCHSMKOLPFZ-GDBMZVCRSA-N 2 1 262.397 2.133 20 0 CEADMP COC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192927662 227386831 /nfs/dbraw/zinc/38/68/31/227386831.db2.gz YBUKCHSMKOLPFZ-HOCLYGCPSA-N 2 1 262.397 2.133 20 0 CEADMP C[C@H](CN1CCC([N@@H+]2CCOC[C@H]2C)CC1)C(F)(F)F ZINC000567403148 299061260 /nfs/dbraw/zinc/06/12/60/299061260.db2.gz IKJXHHYPNVUICL-VXGBXAGGSA-N 2 1 294.361 2.370 20 0 CEADMP C[C@H](CN1CCC([N@H+]2CCOC[C@H]2C)CC1)C(F)(F)F ZINC000567403148 299061263 /nfs/dbraw/zinc/06/12/63/299061263.db2.gz IKJXHHYPNVUICL-VXGBXAGGSA-N 2 1 294.361 2.370 20 0 CEADMP C[C@@H](CN1CCC([N@@H+]2CCOC[C@H]2C)CC1)C(F)(F)F ZINC000567403146 299061486 /nfs/dbraw/zinc/06/14/86/299061486.db2.gz IKJXHHYPNVUICL-NWDGAFQWSA-N 2 1 294.361 2.370 20 0 CEADMP C[C@@H](CN1CCC([N@H+]2CCOC[C@H]2C)CC1)C(F)(F)F ZINC000567403146 299061487 /nfs/dbraw/zinc/06/14/87/299061487.db2.gz IKJXHHYPNVUICL-NWDGAFQWSA-N 2 1 294.361 2.370 20 0 CEADMP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000666741122 419409115 /nfs/dbraw/zinc/40/91/15/419409115.db2.gz VJMYBOAEONIQGJ-OAHLLOKOSA-N 2 1 288.395 2.158 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn2cccc(F)c2n1 ZINC000666743473 419411624 /nfs/dbraw/zinc/41/16/24/419411624.db2.gz RGIOXZJGELDDPN-FZMZJTMJSA-N 2 1 276.359 2.081 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000666997012 419506990 /nfs/dbraw/zinc/50/69/90/419506990.db2.gz RAHOGYYQVAMTKZ-LLVKDONJSA-N 2 1 265.426 2.470 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@@H]1NCc1cccc2c1OC(F)(F)O2 ZINC000666285415 419613391 /nfs/dbraw/zinc/61/33/91/419613391.db2.gz HXKQSJFPHBUZQL-KOLCDFICSA-N 2 1 284.306 2.048 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1cccc2c1OC(F)(F)O2 ZINC000666285415 419613399 /nfs/dbraw/zinc/61/33/99/419613399.db2.gz HXKQSJFPHBUZQL-KOLCDFICSA-N 2 1 284.306 2.048 20 0 CEADMP Cc1occc1CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000666373234 419645576 /nfs/dbraw/zinc/64/55/76/419645576.db2.gz JMOARFJLPOKKPQ-QGZVFWFLSA-N 2 1 291.439 2.188 20 0 CEADMP Cc1occc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000666373234 419645581 /nfs/dbraw/zinc/64/55/81/419645581.db2.gz JMOARFJLPOKKPQ-QGZVFWFLSA-N 2 1 291.439 2.188 20 0 CEADMP Cc1occc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000666373234 419645585 /nfs/dbraw/zinc/64/55/85/419645585.db2.gz JMOARFJLPOKKPQ-QGZVFWFLSA-N 2 1 291.439 2.188 20 0 CEADMP c1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000667643288 419745555 /nfs/dbraw/zinc/74/55/55/419745555.db2.gz ZZFLQZWNZGYCIC-OKILXGFUSA-N 2 1 268.364 2.499 20 0 CEADMP c1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000667643288 419745575 /nfs/dbraw/zinc/74/55/75/419745575.db2.gz ZZFLQZWNZGYCIC-OKILXGFUSA-N 2 1 268.364 2.499 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1C ZINC000667649737 419748289 /nfs/dbraw/zinc/74/82/89/419748289.db2.gz AHIUSBNFJQUGHQ-BETUJISGSA-N 2 1 256.353 2.355 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1C ZINC000667649737 419748292 /nfs/dbraw/zinc/74/82/92/419748292.db2.gz AHIUSBNFJQUGHQ-BETUJISGSA-N 2 1 256.353 2.355 20 0 CEADMP C1CC1[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CO1 ZINC000667806612 419814755 /nfs/dbraw/zinc/81/47/55/419814755.db2.gz NSNPKGBQJOMUMY-GOEBONIOSA-N 2 1 264.413 2.160 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNCc2ccncc2F)C1 ZINC000449131427 260237226 /nfs/dbraw/zinc/23/72/26/260237226.db2.gz MOWUYGYKAHLUEY-ZDUSSCGKSA-N 2 1 265.376 2.431 20 0 CEADMP Cc1cccc(CC[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000449151317 260258819 /nfs/dbraw/zinc/25/88/19/260258819.db2.gz XHKIUQPRWVADLZ-GOSISDBHSA-N 2 1 290.451 2.364 20 0 CEADMP Cc1cc(F)ccc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000517959392 260326372 /nfs/dbraw/zinc/32/63/72/260326372.db2.gz AKAPNHGNXDAEDV-UHFFFAOYSA-N 2 1 280.387 2.071 20 0 CEADMP CCCCOCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000355346437 262363282 /nfs/dbraw/zinc/36/32/82/262363282.db2.gz UUOKNZNYHZQVMQ-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CCCCOCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000355346437 262363284 /nfs/dbraw/zinc/36/32/84/262363284.db2.gz UUOKNZNYHZQVMQ-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP COC[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000452042488 263032068 /nfs/dbraw/zinc/03/20/68/263032068.db2.gz UDEKAOCBFICZDJ-HNNXBMFYSA-N 2 1 254.418 2.363 20 0 CEADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1OC(F)F ZINC000414791498 263048993 /nfs/dbraw/zinc/04/89/93/263048993.db2.gz BIVDWCYXCJPNOB-NSHDSACASA-N 2 1 286.322 2.124 20 0 CEADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000453359605 263249893 /nfs/dbraw/zinc/24/98/93/263249893.db2.gz AMHHKWCBRYTGGA-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc2cccnc2o1 ZINC000518900426 265204478 /nfs/dbraw/zinc/20/44/78/265204478.db2.gz UABMXMIZRQCRKE-UHFFFAOYSA-N 2 1 256.309 2.123 20 0 CEADMP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000519224383 265370473 /nfs/dbraw/zinc/37/04/73/265370473.db2.gz GUXBOAIRCIQABC-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000040623428 270226572 /nfs/dbraw/zinc/22/65/72/270226572.db2.gz OIXVONIYZIUKJL-CQSZACIVSA-N 2 1 278.444 2.458 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000040623428 270226574 /nfs/dbraw/zinc/22/65/74/270226574.db2.gz OIXVONIYZIUKJL-CQSZACIVSA-N 2 1 278.444 2.458 20 0 CEADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000227801096 270311902 /nfs/dbraw/zinc/31/19/02/270311902.db2.gz GYLMFNWYPGVOGJ-XSLAGTTESA-N 2 1 288.435 2.182 20 0 CEADMP CC(C)n1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000322580999 270335196 /nfs/dbraw/zinc/33/51/96/270335196.db2.gz HQYJHHOVAUWYDE-GOOCMWNKSA-N 2 1 262.401 2.179 20 0 CEADMP CC(C)n1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000322580999 270335197 /nfs/dbraw/zinc/33/51/97/270335197.db2.gz HQYJHHOVAUWYDE-GOOCMWNKSA-N 2 1 262.401 2.179 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000392294816 270340359 /nfs/dbraw/zinc/34/03/59/270340359.db2.gz QCOKXKLNRQYERL-GVDBMIGSSA-N 3 1 277.456 2.149 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000397267463 270352883 /nfs/dbraw/zinc/35/28/83/270352883.db2.gz VWDBXCQAGKDXEO-XEZPLFJOSA-N 2 1 289.423 2.450 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000398078116 270355529 /nfs/dbraw/zinc/35/55/29/270355529.db2.gz ANBMQDWHSZJPCI-QAPCUYQASA-N 2 1 287.451 2.239 20 0 CEADMP CCCC[C@@H](C[NH3+])NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000418447355 270375798 /nfs/dbraw/zinc/37/57/98/270375798.db2.gz PHTSLXPZDVGBKQ-LSDHHAIUSA-N 2 1 298.475 2.020 20 0 CEADMP C[C@@H](CCCC[NH3+])Nc1[nH+]c2cccc(F)c2n1C ZINC000420263552 270498050 /nfs/dbraw/zinc/49/80/50/270498050.db2.gz UBWLOPIKQIOIQW-JTQLQIEISA-N 2 1 264.348 2.064 20 0 CEADMP COC[C@H](Cc1ccccc1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420364413 270527573 /nfs/dbraw/zinc/52/75/73/270527573.db2.gz CVOWDVZGDFFPBP-IRXDYDNUSA-N 2 1 276.424 2.176 20 0 CEADMP C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000420391597 270534722 /nfs/dbraw/zinc/53/47/22/270534722.db2.gz IPUSWGPPAGDPJU-SOUVJXGZSA-N 2 1 252.402 2.020 20 0 CEADMP COc1ccc(C)cc1CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422785680 270767757 /nfs/dbraw/zinc/76/77/57/270767757.db2.gz NTMWPHFBFHOYJX-DZGCQCFKSA-N 2 1 262.397 2.134 20 0 CEADMP COCc1ccccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422809578 270779260 /nfs/dbraw/zinc/77/92/60/270779260.db2.gz SEJCKXVBWGSXMO-LBPRGKRZSA-N 2 1 271.364 2.491 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000422888409 270799229 /nfs/dbraw/zinc/79/92/29/270799229.db2.gz CRRPGUVWHDECET-HIFRSBDPSA-N 3 1 255.450 2.214 20 0 CEADMP C[C@H](CCO)C1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CCC1 ZINC000423019944 270821887 /nfs/dbraw/zinc/82/18/87/270821887.db2.gz XYPQWSPYNXEQRC-CHWSQXEVSA-N 2 1 277.412 2.334 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1(C)C ZINC000423189332 270865630 /nfs/dbraw/zinc/86/56/30/270865630.db2.gz PFGFNAIEYVMWSQ-CVEARBPZSA-N 2 1 291.439 2.355 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CC2)C12CCCCC2 ZINC000423280530 270888569 /nfs/dbraw/zinc/88/85/69/270888569.db2.gz SVZJLGDGSLWOGJ-QLFBSQMISA-N 2 1 266.429 2.441 20 0 CEADMP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423444638 270912637 /nfs/dbraw/zinc/91/26/37/270912637.db2.gz WVQXRPVFPGOBBF-FWYOQMDTSA-N 2 1 260.381 2.342 20 0 CEADMP CC[C@H](C(=O)NC(C)(C)CC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000424061592 271008432 /nfs/dbraw/zinc/00/84/32/271008432.db2.gz XSKWMSBIKBOSEU-OAHLLOKOSA-N 2 1 291.439 2.141 20 0 CEADMP COC(=O)CC1CC([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000424256566 271036122 /nfs/dbraw/zinc/03/61/22/271036122.db2.gz AOQXBMPYKYXEOK-PJPHBNEVSA-N 2 1 296.455 2.286 20 0 CEADMP COC(=O)CC1CC([NH2+][C@H](C)C[NH+]2CCCCCC2)C1 ZINC000424270403 271037680 /nfs/dbraw/zinc/03/76/80/271037680.db2.gz BNJJXBICKLXPJL-WLYUNCDWSA-N 2 1 282.428 2.182 20 0 CEADMP COC(=O)CC1CC([NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000424269828 271037924 /nfs/dbraw/zinc/03/79/24/271037924.db2.gz PTOASGAUKSLSNX-HESLUPGFSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)CC1CC([NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC000424269828 271037925 /nfs/dbraw/zinc/03/79/25/271037925.db2.gz PTOASGAUKSLSNX-HESLUPGFSA-N 2 1 282.428 2.038 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C(C)C ZINC000424283337 271039033 /nfs/dbraw/zinc/03/90/33/271039033.db2.gz BKJBBEKPWSPQOX-OAHLLOKOSA-N 2 1 295.471 2.096 20 0 CEADMP [NH3+]C1(c2noc([C@H]3CCCC[NH2+]3)n2)CCCCC1 ZINC000424338028 271048583 /nfs/dbraw/zinc/04/85/83/271048583.db2.gz MLEYYXXFDGHYMF-SNVBAGLBSA-N 2 1 250.346 2.002 20 0 CEADMP COCCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424369443 271050962 /nfs/dbraw/zinc/05/09/62/271050962.db2.gz BMSRPUPZVFYNDE-HZPDHXFCSA-N 2 1 278.396 2.071 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(O)(C(F)F)CC1 ZINC000426246067 271205459 /nfs/dbraw/zinc/20/54/59/271205459.db2.gz YHIWGHDSYXFTPY-UHFFFAOYSA-N 2 1 287.354 2.064 20 0 CEADMP C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)CC[NH+](C2CCC2)C1 ZINC000429398282 271328356 /nfs/dbraw/zinc/32/83/56/271328356.db2.gz HJBWVMKIZSBQRY-CVEARBPZSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@@H+](C2CCC2)C1 ZINC000429398282 271328358 /nfs/dbraw/zinc/32/83/58/271328358.db2.gz HJBWVMKIZSBQRY-CVEARBPZSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@H+](C2CCC2)C1 ZINC000429398282 271328360 /nfs/dbraw/zinc/32/83/60/271328360.db2.gz HJBWVMKIZSBQRY-CVEARBPZSA-N 2 1 279.472 2.277 20 0 CEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000430564103 271390142 /nfs/dbraw/zinc/39/01/42/271390142.db2.gz ALORBJULLOILRT-MRXNPFEDSA-N 2 1 273.380 2.403 20 0 CEADMP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430593223 271396058 /nfs/dbraw/zinc/39/60/58/271396058.db2.gz ONKLYYUGWSZSBP-KBXIAJHMSA-N 2 1 297.487 2.233 20 0 CEADMP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430593223 271396061 /nfs/dbraw/zinc/39/60/61/271396061.db2.gz ONKLYYUGWSZSBP-KBXIAJHMSA-N 2 1 297.487 2.233 20 0 CEADMP C[C@H](CCc1ccccc1F)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414820381 274480166 /nfs/dbraw/zinc/48/01/66/274480166.db2.gz AQJDQAICHFPFRQ-TZMCWYRMSA-N 2 1 250.361 2.488 20 0 CEADMP Brc1c[nH+]ccc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334995909 275377599 /nfs/dbraw/zinc/37/75/99/275377599.db2.gz OHYIQYMTOPRDIA-CYBMUJFWSA-N 2 1 296.212 2.424 20 0 CEADMP C([NH2+][C@@H]1CCC12CCOCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000377121765 275395024 /nfs/dbraw/zinc/39/50/24/275395024.db2.gz YDGQYTRVRPZFGX-UKRRQHHQSA-N 2 1 264.413 2.020 20 0 CEADMP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000250810594 275396274 /nfs/dbraw/zinc/39/62/74/275396274.db2.gz DHKJSFHQMAHCIO-SPUZQDLCSA-N 3 1 291.483 2.371 20 0 CEADMP C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000250810594 275396275 /nfs/dbraw/zinc/39/62/75/275396275.db2.gz DHKJSFHQMAHCIO-SPUZQDLCSA-N 2 1 291.483 2.371 20 0 CEADMP C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000250810594 275396276 /nfs/dbraw/zinc/39/62/76/275396276.db2.gz DHKJSFHQMAHCIO-SPUZQDLCSA-N 2 1 291.483 2.371 20 0 CEADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]2CCO[C@H]21 ZINC000227069438 275889500 /nfs/dbraw/zinc/88/95/00/275889500.db2.gz UCYUEIDKNHHYCD-RBSFLKMASA-N 2 1 264.413 2.016 20 0 CEADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154356173 275981301 /nfs/dbraw/zinc/98/13/01/275981301.db2.gz DBGIJSOBMQYYEX-IAGOWNOFSA-N 2 1 278.440 2.156 20 0 CEADMP CCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000236916650 276023620 /nfs/dbraw/zinc/02/36/20/276023620.db2.gz TZHKGJCJEXEQOA-MRXNPFEDSA-N 2 1 295.471 2.228 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248606239 276072858 /nfs/dbraw/zinc/07/28/58/276072858.db2.gz WGWHZYWRDAJPJY-ROUUACIJSA-N 2 1 290.451 2.254 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248606239 276072859 /nfs/dbraw/zinc/07/28/59/276072859.db2.gz WGWHZYWRDAJPJY-ROUUACIJSA-N 2 1 290.451 2.254 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248606239 276072860 /nfs/dbraw/zinc/07/28/60/276072860.db2.gz WGWHZYWRDAJPJY-ROUUACIJSA-N 2 1 290.451 2.254 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(NC(N)=O)cc2)CC1 ZINC000037158867 276151873 /nfs/dbraw/zinc/15/18/73/276151873.db2.gz PQYCMKURBPFPEN-GFCCVEGCSA-N 2 1 290.411 2.312 20 0 CEADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]2CCCO[C@H]21 ZINC000227081969 276162916 /nfs/dbraw/zinc/16/29/16/276162916.db2.gz PGVWFYHKOYQLLI-BZUAXINKSA-N 2 1 278.440 2.406 20 0 CEADMP CCC[C@H](C)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000342927142 276283218 /nfs/dbraw/zinc/28/32/18/276283218.db2.gz NVIBLGNBSBZXDW-BBWFWOEESA-N 2 1 281.488 2.380 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCC2CCOCC2)C1 ZINC000346962146 276308110 /nfs/dbraw/zinc/30/81/10/276308110.db2.gz GRLQYLYBOASNFD-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC000346962146 276308111 /nfs/dbraw/zinc/30/81/11/276308111.db2.gz GRLQYLYBOASNFD-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC000346962146 276308112 /nfs/dbraw/zinc/30/81/12/276308112.db2.gz GRLQYLYBOASNFD-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000165137608 276314642 /nfs/dbraw/zinc/31/46/42/276314642.db2.gz VYYYIAIIPLRITB-YESZJQIVSA-N 2 1 298.471 2.282 20 0 CEADMP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCCOC1)[NH+]1CCCC1 ZINC000356830577 276568856 /nfs/dbraw/zinc/56/88/56/276568856.db2.gz APUOMQNVYSNGPX-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000365066120 277023116 /nfs/dbraw/zinc/02/31/16/277023116.db2.gz GWTHTSYBULNZTR-YESZJQIVSA-N 2 1 278.440 2.433 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H]2CC23CCSCC3)CC1 ZINC000335193710 277030821 /nfs/dbraw/zinc/03/08/21/277030821.db2.gz QMJABRDBSMKCNK-LBPRGKRZSA-N 2 1 254.443 2.204 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCCc3cc(N)ccc32)CC1 ZINC000334858919 277031671 /nfs/dbraw/zinc/03/16/71/277031671.db2.gz ICRBNTDEUNLHLS-INIZCTEOSA-N 2 1 259.397 2.330 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccccc3)CC[C@@H]21 ZINC000126354325 277068866 /nfs/dbraw/zinc/06/88/66/277068866.db2.gz HGCIMHSMEKGDOC-IKGGRYGDSA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccccc3)CC[C@@H]21 ZINC000126354325 277068868 /nfs/dbraw/zinc/06/88/68/277068868.db2.gz HGCIMHSMEKGDOC-IKGGRYGDSA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3)CC[C@@H]21 ZINC000126354325 277068869 /nfs/dbraw/zinc/06/88/69/277068869.db2.gz HGCIMHSMEKGDOC-IKGGRYGDSA-N 2 1 274.408 2.136 20 0 CEADMP CC(=O)Nc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000165632550 277073474 /nfs/dbraw/zinc/07/34/74/277073474.db2.gz HOTXJWOAQUZCIE-DYVFJYSZSA-N 2 1 289.423 2.117 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3Cc4ccccc4[C@@H]3O)C2)C1 ZINC000293010644 277087096 /nfs/dbraw/zinc/08/70/96/277087096.db2.gz PRDIMNOVGPPOLL-BZSNNMDCSA-N 2 1 286.419 2.062 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3Cc4ccccc4[C@@H]3O)C2)C1 ZINC000293010644 277087097 /nfs/dbraw/zinc/08/70/97/277087097.db2.gz PRDIMNOVGPPOLL-BZSNNMDCSA-N 2 1 286.419 2.062 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+]([C@H]3Cc4ccccc4[C@@H]3O)C2)C1 ZINC000293010644 277087098 /nfs/dbraw/zinc/08/70/98/277087098.db2.gz PRDIMNOVGPPOLL-BZSNNMDCSA-N 2 1 286.419 2.062 20 0 CEADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cncs2)C1 ZINC000335998267 277158048 /nfs/dbraw/zinc/15/80/48/277158048.db2.gz SJDFYDHPKYVDOT-DGCLKSJQSA-N 2 1 251.399 2.059 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cncs2)C1 ZINC000335998267 277158049 /nfs/dbraw/zinc/15/80/49/277158049.db2.gz SJDFYDHPKYVDOT-DGCLKSJQSA-N 2 1 251.399 2.059 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cncs2)C1 ZINC000335998267 277158050 /nfs/dbraw/zinc/15/80/50/277158050.db2.gz SJDFYDHPKYVDOT-DGCLKSJQSA-N 2 1 251.399 2.059 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cncs2)C1 ZINC000335998267 277158051 /nfs/dbraw/zinc/15/80/51/277158051.db2.gz SJDFYDHPKYVDOT-DGCLKSJQSA-N 2 1 251.399 2.059 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000358217380 277332357 /nfs/dbraw/zinc/33/23/57/277332357.db2.gz GUZAOEHREAXKMY-FVQBIDKESA-N 2 1 262.397 2.304 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)CC(C)C ZINC000417355244 277332568 /nfs/dbraw/zinc/33/25/68/277332568.db2.gz FOJOOOSNGBFHOQ-CBBWQLFWSA-N 2 1 256.434 2.366 20 0 CEADMP COc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC000164513618 278040920 /nfs/dbraw/zinc/04/09/20/278040920.db2.gz ISEZQDWJIZAYAW-NWANDNLSSA-N 2 1 290.407 2.071 20 0 CEADMP COc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC000164513618 278040921 /nfs/dbraw/zinc/04/09/21/278040921.db2.gz ISEZQDWJIZAYAW-NWANDNLSSA-N 2 1 290.407 2.071 20 0 CEADMP COc1ccccc1C[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037256129 278050402 /nfs/dbraw/zinc/05/04/02/278050402.db2.gz SVUUQENTRTVLAN-CYBMUJFWSA-N 2 1 262.397 2.310 20 0 CEADMP COc1ccsc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415120400 278070598 /nfs/dbraw/zinc/07/05/98/278070598.db2.gz FWOZLCNEJBAQKN-QWRGUYRKSA-N 2 1 254.399 2.173 20 0 CEADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000193126304 278324627 /nfs/dbraw/zinc/32/46/27/278324627.db2.gz VQQQICJOZMGIJQ-DZGCQCFKSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@H]1CCCC[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000104140389 278336386 /nfs/dbraw/zinc/33/63/86/278336386.db2.gz XUUSCSZNPMJDNC-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000378371622 279092988 /nfs/dbraw/zinc/09/29/88/279092988.db2.gz SHXOCRDTRGXUQW-RBSFLKMASA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(C)=O ZINC000372945877 279094693 /nfs/dbraw/zinc/09/46/93/279094693.db2.gz FGYKPPXMDPCYNS-SJORKVTESA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000338310991 279094771 /nfs/dbraw/zinc/09/47/71/279094771.db2.gz AXTITNYGIRNYNV-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000248894569 279124996 /nfs/dbraw/zinc/12/49/96/279124996.db2.gz JHCQYVOIDKRHSS-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)CCC(C)C)C1 ZINC000361297785 279135493 /nfs/dbraw/zinc/13/54/93/279135493.db2.gz AMBGHFVSVABUPL-HZPDHXFCSA-N 2 1 270.461 2.447 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000414855846 279142311 /nfs/dbraw/zinc/14/23/11/279142311.db2.gz XLXKSNXHNCJEKW-LSDHHAIUSA-N 2 1 283.460 2.131 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000354279696 279267434 /nfs/dbraw/zinc/26/74/34/279267434.db2.gz CRFRBQVPPWZDFI-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000354279696 279267435 /nfs/dbraw/zinc/26/74/35/279267435.db2.gz CRFRBQVPPWZDFI-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000354279696 279267436 /nfs/dbraw/zinc/26/74/36/279267436.db2.gz CRFRBQVPPWZDFI-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC23CCC3)CC1 ZINC000337504403 279356511 /nfs/dbraw/zinc/35/65/11/279356511.db2.gz DOKWNPABLMOERE-INIZCTEOSA-N 2 1 279.472 2.326 20 0 CEADMP C[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000228081568 279370885 /nfs/dbraw/zinc/37/08/85/279370885.db2.gz ZEQVXXCKGLGVGJ-CABCVRRESA-N 2 1 276.424 2.400 20 0 CEADMP C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)OCC1CC1 ZINC000134946894 280033145 /nfs/dbraw/zinc/03/31/45/280033145.db2.gz HSRCWEQOWQHITQ-RDJZCZTQSA-N 2 1 278.440 2.362 20 0 CEADMP CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000351595003 280047158 /nfs/dbraw/zinc/04/71/58/280047158.db2.gz PWLDGECXWWFPDS-RRFJBIMHSA-N 2 1 286.485 2.095 20 0 CEADMP CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351595003 280047161 /nfs/dbraw/zinc/04/71/61/280047161.db2.gz PWLDGECXWWFPDS-RRFJBIMHSA-N 2 1 286.485 2.095 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000191781062 280175302 /nfs/dbraw/zinc/17/53/02/280175302.db2.gz DOSZNUCYAVMVBR-INIZCTEOSA-N 2 1 297.487 2.347 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191781062 280175307 /nfs/dbraw/zinc/17/53/07/280175307.db2.gz DOSZNUCYAVMVBR-INIZCTEOSA-N 2 1 297.487 2.347 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCSC[C@@H](C)C2)CC1 ZINC000192847912 280184110 /nfs/dbraw/zinc/18/41/10/280184110.db2.gz CIRIHOGLWSZTKB-INIZCTEOSA-N 2 1 299.528 2.087 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCOC1 ZINC000119711575 280184328 /nfs/dbraw/zinc/18/43/28/280184328.db2.gz AMDWQVUWAOHFPH-SWLSCSKDSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1ncsc1CC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000246951423 280315656 /nfs/dbraw/zinc/31/56/56/280315656.db2.gz RCQDUQRVCQEZOW-WCQYABFASA-N 2 1 267.442 2.409 20 0 CEADMP Cc1ncsc1CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246951423 280315658 /nfs/dbraw/zinc/31/56/58/280315658.db2.gz RCQDUQRVCQEZOW-WCQYABFASA-N 2 1 267.442 2.409 20 0 CEADMP Cc1ncsc1CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246951423 280315661 /nfs/dbraw/zinc/31/56/61/280315661.db2.gz RCQDUQRVCQEZOW-WCQYABFASA-N 2 1 267.442 2.409 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246981307 280316816 /nfs/dbraw/zinc/31/68/16/280316816.db2.gz JRSPRPWVJGJLRH-PMPSAXMXSA-N 2 1 297.487 2.343 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000246981307 280316819 /nfs/dbraw/zinc/31/68/19/280316819.db2.gz JRSPRPWVJGJLRH-PMPSAXMXSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC000246989817 280317128 /nfs/dbraw/zinc/31/71/28/280317128.db2.gz JIXORHHSTGJCKF-LJIZCISZSA-N 2 1 268.445 2.246 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nccs2)[C@@H](C)C1 ZINC000247118970 280320976 /nfs/dbraw/zinc/32/09/76/280320976.db2.gz UKTODJRCOMVFKI-RYUDHWBXSA-N 2 1 253.415 2.006 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000247982098 280341673 /nfs/dbraw/zinc/34/16/73/280341673.db2.gz IKWUCPLOIXVBOY-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247982098 280341674 /nfs/dbraw/zinc/34/16/74/280341674.db2.gz IKWUCPLOIXVBOY-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247982098 280341676 /nfs/dbraw/zinc/34/16/76/280341676.db2.gz IKWUCPLOIXVBOY-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247982098 280341678 /nfs/dbraw/zinc/34/16/78/280341678.db2.gz IKWUCPLOIXVBOY-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247982098 280341680 /nfs/dbraw/zinc/34/16/80/280341680.db2.gz IKWUCPLOIXVBOY-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000248828461 280366437 /nfs/dbraw/zinc/36/64/37/280366437.db2.gz DQMLVWWIHXOTHG-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cn2cc[nH+]c12 ZINC000333356392 280610485 /nfs/dbraw/zinc/61/04/85/280610485.db2.gz SCGIPNXOQAIIHB-NEPJUHHUSA-N 2 1 287.367 2.034 20 0 CEADMP CCc1ccc([C@H](COC)[NH2+][C@H](C)C[C@@H](C)[NH3+])o1 ZINC000422990068 280985318 /nfs/dbraw/zinc/98/53/18/280985318.db2.gz BKTZSPUOGJMMDX-WZRBSPASSA-N 2 1 254.374 2.245 20 0 CEADMP Cc1ccc([C@H]2CSCC[N@H+]2CCOCC[NH3+])cc1 ZINC000357074833 281004092 /nfs/dbraw/zinc/00/40/92/281004092.db2.gz NKFNFVASMYEZQP-OAHLLOKOSA-N 2 1 280.437 2.060 20 0 CEADMP C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423050800 281011046 /nfs/dbraw/zinc/01/10/46/281011046.db2.gz ZJFSSYCTTPVPNN-MPTYRVRUSA-N 2 1 279.472 2.370 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1(C)C ZINC000423051734 281011437 /nfs/dbraw/zinc/01/14/37/281011437.db2.gz OYSPJPHMGOVSHE-REWJHTLYSA-N 2 1 254.418 2.309 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423051736 281011538 /nfs/dbraw/zinc/01/15/38/281011538.db2.gz OYSPJPHMGOVSHE-XDQVBPFNSA-N 2 1 254.418 2.309 20 0 CEADMP FC(F)(F)C1CC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423134970 281018416 /nfs/dbraw/zinc/01/84/16/281018416.db2.gz XIXDWXXJAQVRKZ-RKJHCZSYSA-N 2 1 292.345 2.074 20 0 CEADMP C[C@H](NC[C@H]([NH3+])C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423330982 281024458 /nfs/dbraw/zinc/02/44/58/281024458.db2.gz UMYDGSGQQOMWLR-WBAXXEDZSA-N 2 1 287.451 2.224 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423383015 281026898 /nfs/dbraw/zinc/02/68/98/281026898.db2.gz JBPNFZKYMVFCMI-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP COc1ncc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1Cl ZINC000423406492 281031690 /nfs/dbraw/zinc/03/16/90/281031690.db2.gz UTEZAPXQABOFOX-GBIKHYSHSA-N 2 1 283.803 2.392 20 0 CEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(OC(F)(F)F)c1 ZINC000423432414 281039575 /nfs/dbraw/zinc/03/95/75/281039575.db2.gz MITOMHQIIQEKQE-KMLBCRHOSA-N 2 1 286.297 2.454 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc(OC)c1OC ZINC000423434736 281040451 /nfs/dbraw/zinc/04/04/51/281040451.db2.gz DLFVCONJHMVQLU-MXWKQRLJSA-N 2 1 282.384 2.099 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2[NH2+]CCc3ccccc32)C[N@H+]1C1CC1 ZINC000423439792 281043630 /nfs/dbraw/zinc/04/36/30/281043630.db2.gz VLNAAZMRQDBLAS-XUWXXGDYSA-N 2 1 285.435 2.088 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423440387 281043641 /nfs/dbraw/zinc/04/36/41/281043641.db2.gz IQIWCCBYRPBXDI-IHRRRGAJSA-N 3 1 279.428 2.013 20 0 CEADMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@H]1C[C@H]1C ZINC000423514919 281059816 /nfs/dbraw/zinc/05/98/16/281059816.db2.gz UNUDIZSFKLQHOC-WXGPCXSOSA-N 2 1 279.472 2.227 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000424274385 281141742 /nfs/dbraw/zinc/14/17/42/281141742.db2.gz YRXLNNHMCZMBJB-ARAOSMHQSA-N 2 1 296.455 2.428 20 0 CEADMP COC(=O)CC1CC([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000424357102 281152503 /nfs/dbraw/zinc/15/25/03/281152503.db2.gz VXZJRKHQDUAPAI-GPANFISMSA-N 2 1 296.455 2.428 20 0 CEADMP C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)[N@H+]1CCCC[C@H]1C ZINC000427265736 281195561 /nfs/dbraw/zinc/19/55/61/281195561.db2.gz DXGLWULOXTUPAY-OWCLPIDISA-N 2 1 295.471 2.145 20 0 CEADMP COC(=O)[C@H](CC(C)C)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000429168661 281227298 /nfs/dbraw/zinc/22/72/98/281227298.db2.gz DSOUNQRFKCPCNJ-HNNXBMFYSA-N 2 1 295.427 2.491 20 0 CEADMP COC(=O)[C@H](CC(C)C)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000429168661 281227300 /nfs/dbraw/zinc/22/73/00/281227300.db2.gz DSOUNQRFKCPCNJ-HNNXBMFYSA-N 2 1 295.427 2.491 20 0 CEADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000353454340 281248056 /nfs/dbraw/zinc/24/80/56/281248056.db2.gz UVOKSNYXNVABJQ-HZPDHXFCSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430121804 281263488 /nfs/dbraw/zinc/26/34/88/281263488.db2.gz IZDOVYDMPNJMEN-NVXWUHKLSA-N 2 1 280.456 2.467 20 0 CEADMP C[C@H](CC1CCOCC1)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430121804 281263490 /nfs/dbraw/zinc/26/34/90/281263490.db2.gz IZDOVYDMPNJMEN-NVXWUHKLSA-N 2 1 280.456 2.467 20 0 CEADMP C[C@H](CC1CCOCC1)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430121804 281263492 /nfs/dbraw/zinc/26/34/92/281263492.db2.gz IZDOVYDMPNJMEN-NVXWUHKLSA-N 2 1 280.456 2.467 20 0 CEADMP Cc1ccccc1OCCC[N@H+](C)C1CC[NH2+]CC1 ZINC000430610515 281269005 /nfs/dbraw/zinc/26/90/05/281269005.db2.gz KYCXVKHUDGETTR-UHFFFAOYSA-N 2 1 262.397 2.448 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1nc2ccccc2n1C ZINC000430642934 281272796 /nfs/dbraw/zinc/27/27/96/281272796.db2.gz VZJSVQATAFZHHR-DZGCQCFKSA-N 2 1 286.423 2.318 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1nc2ccccc2n1C ZINC000430642934 281272797 /nfs/dbraw/zinc/27/27/97/281272797.db2.gz VZJSVQATAFZHHR-DZGCQCFKSA-N 2 1 286.423 2.318 20 0 CEADMP CN(C)c1cc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc[nH+]1 ZINC000430999675 281285804 /nfs/dbraw/zinc/28/58/04/281285804.db2.gz ADKDIUOIFKFSMV-ZIAGYGMSSA-N 2 1 290.411 2.384 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431787437 281320328 /nfs/dbraw/zinc/32/03/28/281320328.db2.gz HRCXTLFFBUSHFE-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC[C@@H](C)[NH+](C)CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431787437 281320329 /nfs/dbraw/zinc/32/03/29/281320329.db2.gz HRCXTLFFBUSHFE-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC[C@@H](C)[NH+](C)CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431787437 281320331 /nfs/dbraw/zinc/32/03/31/281320331.db2.gz HRCXTLFFBUSHFE-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)NC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435387520 281386898 /nfs/dbraw/zinc/38/68/98/281386898.db2.gz ANMOCJHJQRASFB-INIZCTEOSA-N 2 1 289.423 2.010 20 0 CEADMP C[N@H+](Cc1ccc(N2CCCC2)nc1)[C@@H]1CCC[NH2+]CC1 ZINC000435439827 281390151 /nfs/dbraw/zinc/39/01/51/281390151.db2.gz XEOQBTCTULUGHG-MRXNPFEDSA-N 2 1 288.439 2.256 20 0 CEADMP C[N@@H+](Cc1ccc(N2CCCC2)nc1)[C@@H]1CCC[NH2+]CC1 ZINC000435439827 281390152 /nfs/dbraw/zinc/39/01/52/281390152.db2.gz XEOQBTCTULUGHG-MRXNPFEDSA-N 2 1 288.439 2.256 20 0 CEADMP CCC[N@@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435694487 281391898 /nfs/dbraw/zinc/39/18/98/281391898.db2.gz LHYKWJBMHUSEJW-AWEZNQCLSA-N 2 1 276.428 2.257 20 0 CEADMP OC1CC[NH+](CCC[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442779721 281545890 /nfs/dbraw/zinc/54/58/90/281545890.db2.gz MRSPVEDHZVNSOZ-UHFFFAOYSA-N 2 1 290.398 2.247 20 0 CEADMP CCC(C)(C)C1CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000353174484 281980591 /nfs/dbraw/zinc/98/05/91/281980591.db2.gz OAGSWXWCPNNNJS-YMAMQOFZSA-N 2 1 270.461 2.494 20 0 CEADMP C[NH+](C)C1(CN[C@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCCC1 ZINC000353452181 289062559 /nfs/dbraw/zinc/06/25/59/289062559.db2.gz YLCCXHOQPFMRHU-HRCADAONSA-N 2 1 279.472 2.323 20 0 CEADMP C(C[NH+]1C[C@@H]2CCC[C@H]2C1)OCC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153017983 289103408 /nfs/dbraw/zinc/10/34/08/289103408.db2.gz KLRZCYBZZVMNBT-XLAORIBOSA-N 2 1 292.467 2.467 20 0 CEADMP C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000314066938 289283446 /nfs/dbraw/zinc/28/34/46/289283446.db2.gz WIFCDRGWWZBJDX-LSDHHAIUSA-N 2 1 279.428 2.368 20 0 CEADMP C[C@H](O)C[C@H]1CCCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000314066938 289283449 /nfs/dbraw/zinc/28/34/49/289283449.db2.gz WIFCDRGWWZBJDX-LSDHHAIUSA-N 2 1 279.428 2.368 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000400519006 289287222 /nfs/dbraw/zinc/28/72/22/289287222.db2.gz GWKGPXCXZSKTQU-AVGNSLFASA-N 2 1 278.396 2.352 20 0 CEADMP C[C@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCCCCC1 ZINC000358128571 289359226 /nfs/dbraw/zinc/35/92/26/289359226.db2.gz QKEWKXBGVQQVQU-LSDHHAIUSA-N 2 1 293.455 2.018 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOCC2CCCC2)C1 ZINC000459346809 290123328 /nfs/dbraw/zinc/12/33/28/290123328.db2.gz QLYKXRBFRAVYEE-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOCC2CCCC2)C1 ZINC000459346809 290123329 /nfs/dbraw/zinc/12/33/29/290123329.db2.gz QLYKXRBFRAVYEE-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOCC2CCCC2)C1 ZINC000459346809 290123331 /nfs/dbraw/zinc/12/33/31/290123331.db2.gz QLYKXRBFRAVYEE-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOCC2CCCC2)C1 ZINC000459346809 290123332 /nfs/dbraw/zinc/12/33/32/290123332.db2.gz QLYKXRBFRAVYEE-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC2)[C@@H]1c1ccccc1 ZINC000364024102 290196179 /nfs/dbraw/zinc/19/61/79/290196179.db2.gz UUPHIKQBFDJHCK-OAGGEKHMSA-N 2 1 260.381 2.058 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1(C)C ZINC000459728889 290219165 /nfs/dbraw/zinc/21/91/65/290219165.db2.gz CSNZXCGVVGXFBN-CBBWQLFWSA-N 2 1 268.445 2.367 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459729367 290219724 /nfs/dbraw/zinc/21/97/24/290219724.db2.gz JDQIZALCGCRGCT-HNNXBMFYSA-N 2 1 290.407 2.295 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)s1 ZINC000459776562 290236092 /nfs/dbraw/zinc/23/60/92/290236092.db2.gz VSCOBWVTMMXOBS-WXHSDQCUSA-N 2 1 265.426 2.483 20 0 CEADMP COC[C@@H](CC(C)C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459779931 290237529 /nfs/dbraw/zinc/23/75/29/290237529.db2.gz LRIQMUBZRUPIRJ-HUUCEWRRSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@H](CCc1ccccc1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479966584 290311905 /nfs/dbraw/zinc/31/19/05/290311905.db2.gz OQYBSWIRNRHFMX-OIISXLGYSA-N 2 1 258.409 2.407 20 0 CEADMP CCC1CCC([N@H+](CCO)CCn2cc[nH+]c2C)CC1 ZINC000488249291 290385870 /nfs/dbraw/zinc/38/58/70/290385870.db2.gz YKVKVFVAWMFMKA-UHFFFAOYSA-N 2 1 279.428 2.455 20 0 CEADMP CCC1CCC([N@@H+](CCO)CCn2cc[nH+]c2C)CC1 ZINC000488249291 290385873 /nfs/dbraw/zinc/38/58/73/290385873.db2.gz YKVKVFVAWMFMKA-UHFFFAOYSA-N 2 1 279.428 2.455 20 0 CEADMP C[C@H]1C[C@H]1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000488407081 290395672 /nfs/dbraw/zinc/39/56/72/290395672.db2.gz BMNIOFVUQWMEPR-YJBOKZPZSA-N 2 1 287.451 2.180 20 0 CEADMP C[C@H]1C[C@H]1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000488430028 290398475 /nfs/dbraw/zinc/39/84/75/290398475.db2.gz MPSLMWMUMNDXIS-YOEHRIQHSA-N 2 1 274.408 2.264 20 0 CEADMP COc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[NH+](C)C ZINC000376896094 295266746 /nfs/dbraw/zinc/26/67/46/295266746.db2.gz YPKQWZBANVXLGE-OAHLLOKOSA-N 2 1 278.396 2.450 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@]3(CCCOC3)C2)CC[NH2+]1 ZINC000414739131 297399751 /nfs/dbraw/zinc/39/97/51/297399751.db2.gz JXTFINYMRHKVQW-BZUAXINKSA-N 2 1 266.429 2.267 20 0 CEADMP c1c(C[NH2+]CC[C@H]2CCC[NH2+]2)[nH]nc1-c1ccccc1 ZINC000516016384 297585173 /nfs/dbraw/zinc/58/51/73/297585173.db2.gz DGZRTDUBYMXDTI-CQSZACIVSA-N 2 1 270.380 2.308 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H]1CCN(C2CCCCC2)C1=O ZINC000530214964 298052259 /nfs/dbraw/zinc/05/22/59/298052259.db2.gz ZNTGQXJJBNICJK-HOTGVXAUSA-N 2 1 295.471 2.225 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H]1CCN(C2CCCCC2)C1=O ZINC000530214964 298052261 /nfs/dbraw/zinc/05/22/61/298052261.db2.gz ZNTGQXJJBNICJK-HOTGVXAUSA-N 2 1 295.471 2.225 20 0 CEADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000530354816 298065811 /nfs/dbraw/zinc/06/58/11/298065811.db2.gz IQOKLBGXXGHGNX-BLLLJJGKSA-N 2 1 255.365 2.486 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CCSCC1 ZINC000530460163 298073054 /nfs/dbraw/zinc/07/30/54/298073054.db2.gz NQXXYPSCZQCQEP-LLVKDONJSA-N 2 1 253.415 2.084 20 0 CEADMP COc1ccsc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530513146 298075671 /nfs/dbraw/zinc/07/56/71/298075671.db2.gz JVWTVRQRNJUKEZ-SNVBAGLBSA-N 2 1 265.382 2.384 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(-n3cccn3)c2)CC[N@H+]1C ZINC000531611973 298112634 /nfs/dbraw/zinc/11/26/34/298112634.db2.gz GVKIWLGWYHDSOH-GOEBONIOSA-N 2 1 284.407 2.445 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)o1 ZINC000532195942 298135731 /nfs/dbraw/zinc/13/57/31/298135731.db2.gz MXRWGXUWJICBKV-YWPYICTPSA-N 2 1 250.386 2.449 20 0 CEADMP c1cnn(-c2ccc(C[NH2+]CCC[NH+]3CCC3)cc2)c1 ZINC000535760100 298189306 /nfs/dbraw/zinc/18/93/06/298189306.db2.gz SSUGIHPTAZFBFZ-UHFFFAOYSA-N 2 1 270.380 2.058 20 0 CEADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000539062589 298244210 /nfs/dbraw/zinc/24/42/10/298244210.db2.gz ZKBFLBABBHRUSI-ZMSDIMECSA-N 2 1 276.424 2.258 20 0 CEADMP Cc1cccc2c(NCC[N@@H+]3CCO[C@H](C)C3)c(C)c[nH+]c12 ZINC000545196119 298329859 /nfs/dbraw/zinc/32/98/59/298329859.db2.gz ZWZPSTUJSJDVKL-OAHLLOKOSA-N 2 1 299.418 2.406 20 0 CEADMP Cc1cccc2c(NCC[N@H+]3CCO[C@H](C)C3)c(C)c[nH+]c12 ZINC000545196119 298329864 /nfs/dbraw/zinc/32/98/64/298329864.db2.gz ZWZPSTUJSJDVKL-OAHLLOKOSA-N 2 1 299.418 2.406 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000545983118 298342267 /nfs/dbraw/zinc/34/22/67/298342267.db2.gz RSEZBSXCWQCRAF-QLFBSQMISA-N 2 1 277.412 2.148 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000566555928 299002195 /nfs/dbraw/zinc/00/21/95/299002195.db2.gz AVDNFAYWLTXFDP-MSOLQXFVSA-N 2 1 290.451 2.300 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccco2)c2ccccc21 ZINC000566672531 299013203 /nfs/dbraw/zinc/01/32/03/299013203.db2.gz BYXDFIBUKOEHKG-VUCTXSBTSA-N 2 1 286.375 2.165 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000567330356 299053168 /nfs/dbraw/zinc/05/31/68/299053168.db2.gz VZTYZGXERRVMRZ-AWEZNQCLSA-N 2 1 299.422 2.293 20 0 CEADMP CC1([NH2+]Cc2cnc(-c3ccccc3)nc2)CC[NH2+]CC1 ZINC000517712948 313113347 /nfs/dbraw/zinc/11/33/47/313113347.db2.gz ZIAPXEKAJWYMBN-UHFFFAOYSA-N 2 1 282.391 2.375 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527619081 313188308 /nfs/dbraw/zinc/18/83/08/313188308.db2.gz HZWKNWCUWWIHMA-UHFFFAOYSA-N 2 1 285.395 2.163 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527619081 313188310 /nfs/dbraw/zinc/18/83/10/313188310.db2.gz HZWKNWCUWWIHMA-UHFFFAOYSA-N 2 1 285.395 2.163 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCC2)[C@H](C)C1 ZINC000528012117 313225589 /nfs/dbraw/zinc/22/55/89/313225589.db2.gz OCBUJVDLMFUMNZ-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC000528012117 313225591 /nfs/dbraw/zinc/22/55/91/313225591.db2.gz OCBUJVDLMFUMNZ-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC000528012117 313225594 /nfs/dbraw/zinc/22/55/94/313225594.db2.gz OCBUJVDLMFUMNZ-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)[C@H](C)C1 ZINC000528012117 313225600 /nfs/dbraw/zinc/22/56/00/313225600.db2.gz OCBUJVDLMFUMNZ-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC000528425972 313252501 /nfs/dbraw/zinc/25/25/01/313252501.db2.gz KANMHEMKHPNTGY-CYBMUJFWSA-N 2 1 289.354 2.041 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000570938929 314064236 /nfs/dbraw/zinc/06/42/36/314064236.db2.gz CHVUXVDHRKSUNW-GFCCVEGCSA-N 2 1 276.409 2.217 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCCC(F)(F)C1)C1CC1 ZINC000571198894 314078074 /nfs/dbraw/zinc/07/80/74/314078074.db2.gz DYPKKVNHRKGKOA-JSGCOSHPSA-N 2 1 290.398 2.247 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCCC(F)(F)C1)C1CC1 ZINC000571198894 314078077 /nfs/dbraw/zinc/07/80/77/314078077.db2.gz DYPKKVNHRKGKOA-JSGCOSHPSA-N 2 1 290.398 2.247 20 0 CEADMP CC(C)n1nccc1CN(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000571483643 314092860 /nfs/dbraw/zinc/09/28/60/314092860.db2.gz IEBUWPUMDDMNDH-UKRRQHHQSA-N 2 1 264.417 2.236 20 0 CEADMP C[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000571770225 314104761 /nfs/dbraw/zinc/10/47/61/314104761.db2.gz UXACXHGLVCWDQP-HLLBOEOZSA-N 2 1 276.424 2.258 20 0 CEADMP CC[NH2+]CCCN[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000573555750 314166455 /nfs/dbraw/zinc/16/64/55/314166455.db2.gz ZMDJGZARGPYQDY-RDJZCZTQSA-N 2 1 275.440 2.239 20 0 CEADMP Cc1ccc2cc[nH+]c(NC[C@@H]3CN(C)CCO3)c2c1 ZINC000573717222 314172884 /nfs/dbraw/zinc/17/28/84/314172884.db2.gz COTMWHDIXPNDQZ-CQSZACIVSA-N 2 1 271.364 2.286 20 0 CEADMP Cc1ncc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000574220268 314198430 /nfs/dbraw/zinc/19/84/30/314198430.db2.gz DMBOAOCQYLBRQZ-OKILXGFUSA-N 2 1 278.444 2.186 20 0 CEADMP Cc1ncc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000574220268 314198432 /nfs/dbraw/zinc/19/84/32/314198432.db2.gz DMBOAOCQYLBRQZ-OKILXGFUSA-N 2 1 278.444 2.186 20 0 CEADMP Cc1[nH+]cc(CNCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000574220268 314198436 /nfs/dbraw/zinc/19/84/36/314198436.db2.gz DMBOAOCQYLBRQZ-OKILXGFUSA-N 2 1 278.444 2.186 20 0 CEADMP Cc1[nH+]cc(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000574220268 314198440 /nfs/dbraw/zinc/19/84/40/314198440.db2.gz DMBOAOCQYLBRQZ-OKILXGFUSA-N 2 1 278.444 2.186 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000575248474 314216313 /nfs/dbraw/zinc/21/63/13/314216313.db2.gz HWXACMAQMXZCIX-HNNXBMFYSA-N 2 1 293.798 2.038 20 0 CEADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000576271828 314258651 /nfs/dbraw/zinc/25/86/51/314258651.db2.gz KNMFXORNZYJTLK-YOEHRIQHSA-N 2 1 274.408 2.027 20 0 CEADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000576271828 314258652 /nfs/dbraw/zinc/25/86/52/314258652.db2.gz KNMFXORNZYJTLK-YOEHRIQHSA-N 2 1 274.408 2.027 20 0 CEADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](C1CC1)C1CCCC1 ZINC000576346130 314266472 /nfs/dbraw/zinc/26/64/72/314266472.db2.gz HCBGQXXWBFMRSQ-ROUUACIJSA-N 2 1 288.435 2.324 20 0 CEADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](C1CC1)C1CCCC1 ZINC000576346130 314266476 /nfs/dbraw/zinc/26/64/76/314266476.db2.gz HCBGQXXWBFMRSQ-ROUUACIJSA-N 2 1 288.435 2.324 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000577608553 314395047 /nfs/dbraw/zinc/39/50/47/314395047.db2.gz KNYFXUCNAPMYII-UONOGXRCSA-N 2 1 289.427 2.031 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)CCC(C)C ZINC000581483405 322399835 /nfs/dbraw/zinc/39/98/35/322399835.db2.gz JZQWEBZVVBOCOV-ZFWWWQNUSA-N 2 1 267.417 2.214 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC2(COC)CC2)[C@H](C)C1 ZINC000584231715 327070811 /nfs/dbraw/zinc/07/08/11/327070811.db2.gz MYDFTOJPFLVFAF-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H]([NH2+]C1(CO)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357238621 533790315 /nfs/dbraw/zinc/79/03/15/533790315.db2.gz QNYHWLVUASQXFJ-GOEBONIOSA-N 2 1 274.408 2.012 20 0 CEADMP C[C@@]1(C[NH2+]Cc2cnn(-c3ccccc3)c2)CCC[NH2+]C1 ZINC000414913361 534267451 /nfs/dbraw/zinc/26/74/51/534267451.db2.gz WNARAPLOKPYKKD-QGZVFWFLSA-N 2 1 284.407 2.352 20 0 CEADMP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000366349872 518959838 /nfs/dbraw/zinc/95/98/38/518959838.db2.gz XTOFLAXOGYFGNR-UKRRQHHQSA-N 2 1 295.471 2.273 20 0 CEADMP CC(C)[NH+](CCCN[C@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000155826522 519644261 /nfs/dbraw/zinc/64/42/61/519644261.db2.gz XZRUJDWWSHYWQV-CVEARBPZSA-N 2 1 269.477 2.425 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)C(C)C ZINC000155826522 519644264 /nfs/dbraw/zinc/64/42/64/519644264.db2.gz XZRUJDWWSHYWQV-CVEARBPZSA-N 3 1 269.477 2.425 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000155826522 519644266 /nfs/dbraw/zinc/64/42/66/519644266.db2.gz XZRUJDWWSHYWQV-CVEARBPZSA-N 3 1 269.477 2.425 20 0 CEADMP CC[NH+](CC)CC(=O)Nc1cccc2c1CC[N@@H+](CC)C2 ZINC000366366919 520583445 /nfs/dbraw/zinc/58/34/45/520583445.db2.gz QOWDWRUGEOJHSO-UHFFFAOYSA-N 2 1 289.423 2.345 20 0 CEADMP CCOC(=O)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000148272577 521298684 /nfs/dbraw/zinc/29/86/84/521298684.db2.gz LPCCWTZNRMIIFN-HNNXBMFYSA-N 2 1 282.428 2.138 20 0 CEADMP CCOC(=O)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000148272577 521298689 /nfs/dbraw/zinc/29/86/89/521298689.db2.gz LPCCWTZNRMIIFN-HNNXBMFYSA-N 2 1 282.428 2.138 20 0 CEADMP CC[C@@H](C[NH2+][C@@H](C)CCn1cccn1)[NH+]1CCCC1 ZINC000157565493 522550304 /nfs/dbraw/zinc/55/03/04/522550304.db2.gz VBTAUSXKDNMVNX-GJZGRUSLSA-N 2 1 264.417 2.126 20 0 CEADMP CO[C@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000183014187 523885203 /nfs/dbraw/zinc/88/52/03/523885203.db2.gz SRFHPKLFWPYHSW-CQSZACIVSA-N 2 1 262.397 2.276 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccn1C ZINC000363415296 524971049 /nfs/dbraw/zinc/97/10/49/524971049.db2.gz DWQLGIPLILMQCW-PVAVHDDUSA-N 2 1 291.439 2.004 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccn1C ZINC000363415296 524971060 /nfs/dbraw/zinc/97/10/60/524971060.db2.gz DWQLGIPLILMQCW-PVAVHDDUSA-N 2 1 291.439 2.004 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000363459744 527411900 /nfs/dbraw/zinc/41/19/00/527411900.db2.gz RBOQHVDBOOJCMQ-OAHLLOKOSA-N 2 1 285.395 2.251 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000363459744 527411906 /nfs/dbraw/zinc/41/19/06/527411906.db2.gz RBOQHVDBOOJCMQ-OAHLLOKOSA-N 2 1 285.395 2.251 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc(C)oc2C)[C@H](C)C1 ZINC000357800601 527879998 /nfs/dbraw/zinc/87/99/98/527879998.db2.gz WSFKGCUOQCOXPJ-RISCZKNCSA-N 2 1 265.401 2.154 20 0 CEADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C1CC(C)(C)C1 ZINC000412039170 527907128 /nfs/dbraw/zinc/90/71/28/527907128.db2.gz PUZZHMDUWYGHJC-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000418207997 527993762 /nfs/dbraw/zinc/99/37/62/527993762.db2.gz VIIBERGIRJJYEP-KKUMJFAQSA-N 2 1 298.475 2.018 20 0 CEADMP CCCNC(=O)[C@@H](C)[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000191480595 528421409 /nfs/dbraw/zinc/42/14/09/528421409.db2.gz LLYOJWINERDESO-CQSZACIVSA-N 2 1 294.443 2.072 20 0 CEADMP CCCNC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000191480595 528421413 /nfs/dbraw/zinc/42/14/13/528421413.db2.gz LLYOJWINERDESO-CQSZACIVSA-N 2 1 294.443 2.072 20 0 CEADMP CC(C)C[C@@](C)(C[NH3+])NC(=O)CCn1cc[nH+]c1C(C)C ZINC000157472029 528424890 /nfs/dbraw/zinc/42/48/90/528424890.db2.gz MNXDTUVKMJTIOD-INIZCTEOSA-N 2 1 294.443 2.276 20 0 CEADMP CC(C)N1CCC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000415021691 529001228 /nfs/dbraw/zinc/00/12/28/529001228.db2.gz HSVHMHVZVBWAPF-SHTZXODSSA-N 2 1 267.461 2.214 20 0 CEADMP C[N@@H+](CCNC(=O)CCCC[NH+]1CCCC1)C1CCCC1 ZINC000729439560 574488029 /nfs/dbraw/zinc/48/80/29/574488029.db2.gz CXZLYLQIRXVGQP-UHFFFAOYSA-N 2 1 295.471 2.243 20 0 CEADMP C[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000741249271 574524813 /nfs/dbraw/zinc/52/48/13/574524813.db2.gz FRPUCMNFBQLTAO-BLLLJJGKSA-N 2 1 298.377 2.272 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000741249271 574524815 /nfs/dbraw/zinc/52/48/15/574524815.db2.gz FRPUCMNFBQLTAO-BLLLJJGKSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@@H](O)c1ccc(F)c(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000741249271 574524816 /nfs/dbraw/zinc/52/48/16/574524816.db2.gz FRPUCMNFBQLTAO-BLLLJJGKSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@@H](O)c1ccc(F)c(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000741249271 574524818 /nfs/dbraw/zinc/52/48/18/574524818.db2.gz FRPUCMNFBQLTAO-BLLLJJGKSA-N 2 1 298.377 2.272 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000732272685 574616936 /nfs/dbraw/zinc/61/69/36/574616936.db2.gz MKKFWEDBTZIDJB-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000732272685 574616937 /nfs/dbraw/zinc/61/69/37/574616937.db2.gz MKKFWEDBTZIDJB-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000732272685 574616938 /nfs/dbraw/zinc/61/69/38/574616938.db2.gz MKKFWEDBTZIDJB-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000753731544 575337986 /nfs/dbraw/zinc/33/79/86/575337986.db2.gz GMZPMHZUJVCECN-CQSZACIVSA-N 2 1 252.402 2.019 20 0 CEADMP CCC(=O)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000753731544 575337987 /nfs/dbraw/zinc/33/79/87/575337987.db2.gz GMZPMHZUJVCECN-CQSZACIVSA-N 2 1 252.402 2.019 20 0 CEADMP CCC(=O)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000753731544 575337989 /nfs/dbraw/zinc/33/79/89/575337989.db2.gz GMZPMHZUJVCECN-CQSZACIVSA-N 2 1 252.402 2.019 20 0 CEADMP CCC(=O)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000753731544 575337990 /nfs/dbraw/zinc/33/79/90/575337990.db2.gz GMZPMHZUJVCECN-CQSZACIVSA-N 2 1 252.402 2.019 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000735663146 574764557 /nfs/dbraw/zinc/76/45/57/574764557.db2.gz YZWLGKWEBSZULD-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@H+](Cn3cc(Cl)cn3)C2)CC1 ZINC000755776154 574766045 /nfs/dbraw/zinc/76/60/45/574766045.db2.gz XMUYFXBGSOHZHK-ZDUSSCGKSA-N 2 1 282.819 2.158 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3cc(Cl)cn3)C2)CC1 ZINC000755776154 574766046 /nfs/dbraw/zinc/76/60/46/574766046.db2.gz XMUYFXBGSOHZHK-ZDUSSCGKSA-N 2 1 282.819 2.158 20 0 CEADMP CCC[C@@]1(C)CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000743872311 575111567 /nfs/dbraw/zinc/11/15/67/575111567.db2.gz NOICMPFHXMPZIR-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP CCC(=O)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000753703883 575335831 /nfs/dbraw/zinc/33/58/31/575335831.db2.gz CLEXFLVNTNTTHT-UHFFFAOYSA-N 2 1 254.418 2.408 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000753706370 575336245 /nfs/dbraw/zinc/33/62/45/575336245.db2.gz LNHBZVVKFBAOFT-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000753706370 575336247 /nfs/dbraw/zinc/33/62/47/575336247.db2.gz LNHBZVVKFBAOFT-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000753706370 575336249 /nfs/dbraw/zinc/33/62/49/575336249.db2.gz LNHBZVVKFBAOFT-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000974898964 613889582 /nfs/dbraw/zinc/88/95/82/613889582.db2.gz HNCKNNMIJWDMFK-AWEZNQCLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948743058 614347697 /nfs/dbraw/zinc/34/76/97/614347697.db2.gz OFWKDZDSEZTGPE-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC(C[NH2+]C(C)C)C2)C1 ZINC000962216374 614650983 /nfs/dbraw/zinc/65/09/83/614650983.db2.gz HPGUYJLAOOYVLK-HWOWSKLDSA-N 2 1 295.471 2.001 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CC(C)C)C1 ZINC000971643225 614660441 /nfs/dbraw/zinc/66/04/41/614660441.db2.gz XKLUPNLQQPYONP-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC(C)C)C1 ZINC000971643225 614660443 /nfs/dbraw/zinc/66/04/43/614660443.db2.gz XKLUPNLQQPYONP-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(C)C)C1 ZINC000971643225 614660446 /nfs/dbraw/zinc/66/04/46/614660446.db2.gz XKLUPNLQQPYONP-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC)CC1(C)C ZINC000940786444 614664568 /nfs/dbraw/zinc/66/45/68/614664568.db2.gz WISJHXAEDFMHAH-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC)CC1(C)C ZINC000940786444 614664569 /nfs/dbraw/zinc/66/45/69/614664569.db2.gz WISJHXAEDFMHAH-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC)CC1(C)C ZINC000940786444 614664571 /nfs/dbraw/zinc/66/45/71/614664571.db2.gz WISJHXAEDFMHAH-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000949801123 614996143 /nfs/dbraw/zinc/99/61/43/614996143.db2.gz NYQFLNPEPNXFHB-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000309765963 625312002 /nfs/dbraw/zinc/31/20/02/625312002.db2.gz ZKVQZQNCVRMHGJ-YJBOKZPZSA-N 2 1 298.434 2.444 20 0 CEADMP C[NH+]1CCC([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000309859589 625335167 /nfs/dbraw/zinc/33/51/67/625335167.db2.gz CVGYYVZWPTVVMT-UHFFFAOYSA-N 2 1 299.459 2.364 20 0 CEADMP COc1ccc2[nH+]ccc(NC[C@@H]3CCC[N@@H+](C)C3)c2c1 ZINC000892421904 625348736 /nfs/dbraw/zinc/34/87/36/625348736.db2.gz QMCLVPIXZNTHQS-ZDUSSCGKSA-N 2 1 285.391 2.419 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179421748 625429241 /nfs/dbraw/zinc/42/92/41/625429241.db2.gz JFSWICAISUCSSF-OAHLLOKOSA-N 2 1 293.411 2.057 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179421748 625429252 /nfs/dbraw/zinc/42/92/52/625429252.db2.gz JFSWICAISUCSSF-OAHLLOKOSA-N 2 1 293.411 2.057 20 0 CEADMP CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001024186305 625460740 /nfs/dbraw/zinc/46/07/40/625460740.db2.gz OYYBSYPJZNVRTL-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(=O)OC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000892446919 625475380 /nfs/dbraw/zinc/47/53/80/625475380.db2.gz NPNGVJIDXXNGIG-CQSZACIVSA-N 2 1 290.407 2.192 20 0 CEADMP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)c2c(n1)CCCC2 ZINC000892454375 625495880 /nfs/dbraw/zinc/49/58/80/625495880.db2.gz MQICYIUMSQWGAH-UHFFFAOYSA-N 2 1 273.424 2.453 20 0 CEADMP CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024437089 625559277 /nfs/dbraw/zinc/55/92/77/625559277.db2.gz NMKCGQFIMRWQCI-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001024437089 625559287 /nfs/dbraw/zinc/55/92/87/625559287.db2.gz NMKCGQFIMRWQCI-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001024437089 625559299 /nfs/dbraw/zinc/55/92/99/625559299.db2.gz NMKCGQFIMRWQCI-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1(O)CCCCC1 ZINC000304330619 622571636 /nfs/dbraw/zinc/57/16/36/622571636.db2.gz UXEMHVDINIEVBW-HNNXBMFYSA-N 2 1 268.445 2.488 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1(O)CCCCC1 ZINC000304330619 622571640 /nfs/dbraw/zinc/57/16/40/622571640.db2.gz UXEMHVDINIEVBW-HNNXBMFYSA-N 2 1 268.445 2.488 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1(O)CCCCC1 ZINC000304330619 622571645 /nfs/dbraw/zinc/57/16/45/622571645.db2.gz UXEMHVDINIEVBW-HNNXBMFYSA-N 2 1 268.445 2.488 20 0 CEADMP CN(CC[NH2+]C(C)(C)C)CC[C@@H]1CCCC[N@H+]1C ZINC000234283558 623492472 /nfs/dbraw/zinc/49/24/72/623492472.db2.gz TYVHJBHQORNIDR-AWEZNQCLSA-N 2 1 255.450 2.181 20 0 CEADMP CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924541824 625655386 /nfs/dbraw/zinc/65/53/86/625655386.db2.gz JBPDOLPUDCSLQM-GOOCMWNKSA-N 2 1 254.418 2.408 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C12CCC2 ZINC000308370790 623676240 /nfs/dbraw/zinc/67/62/40/623676240.db2.gz PREOFTVHJVCHMZ-MGPQQGTHSA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C12CCC2 ZINC000308370790 623676242 /nfs/dbraw/zinc/67/62/42/623676242.db2.gz PREOFTVHJVCHMZ-MGPQQGTHSA-N 2 1 254.418 2.262 20 0 CEADMP Cc1cc(N)nc(NC[C@@H](c2ccccc2)[NH+](C)C)[nH+]1 ZINC000891450483 623705123 /nfs/dbraw/zinc/70/51/23/623705123.db2.gz LWFWGAMKKCCYPI-ZDUSSCGKSA-N 2 1 271.368 2.082 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(O)c(F)c3)CC[C@@H]21 ZINC000234335261 623713682 /nfs/dbraw/zinc/71/36/82/623713682.db2.gz VFZGYCWIEWSRCW-HIFRSBDPSA-N 2 1 278.371 2.447 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(O)c(F)c3)CC[C@@H]21 ZINC000234335261 623713686 /nfs/dbraw/zinc/71/36/86/623713686.db2.gz VFZGYCWIEWSRCW-HIFRSBDPSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(O)c(F)c3)CC[C@@H]21 ZINC000234335261 623713691 /nfs/dbraw/zinc/71/36/91/623713691.db2.gz VFZGYCWIEWSRCW-HIFRSBDPSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(O)c(F)c3)CC[C@@H]21 ZINC000234335261 623713694 /nfs/dbraw/zinc/71/36/94/623713694.db2.gz VFZGYCWIEWSRCW-HIFRSBDPSA-N 2 1 278.371 2.447 20 0 CEADMP CNc1cc(NC[C@H](Cc2ccccc2)[NH+](C)C)nc[nH+]1 ZINC000891498702 623746704 /nfs/dbraw/zinc/74/67/04/623746704.db2.gz LOTXGSJOWYHUBZ-AWEZNQCLSA-N 2 1 285.395 2.103 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000261967038 623944430 /nfs/dbraw/zinc/94/44/30/623944430.db2.gz HVEWEECKMIIERY-UHFFFAOYSA-N 2 1 288.439 2.113 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000891908000 624090038 /nfs/dbraw/zinc/09/00/38/624090038.db2.gz AMXJYYOBNMJOLU-CABCVRRESA-N 2 1 298.475 2.020 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000892034266 624264525 /nfs/dbraw/zinc/26/45/25/624264525.db2.gz KPULRTHEZGYKKK-CQSZACIVSA-N 2 1 262.397 2.387 20 0 CEADMP CC(C)(C)n1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000262035776 624305905 /nfs/dbraw/zinc/30/59/05/624305905.db2.gz ONDFMKNJSVLKJD-UHFFFAOYSA-N 2 1 276.428 2.214 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cnn(CC3CCC3)c2)C1 ZINC000892142458 624349688 /nfs/dbraw/zinc/34/96/88/624349688.db2.gz FWNBNRAGRCRJNC-MRXNPFEDSA-N 2 1 290.455 2.457 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCSC[C@H]1C ZINC000934305290 624400569 /nfs/dbraw/zinc/40/05/69/624400569.db2.gz XVUVKUQMCVZCNK-GFCCVEGCSA-N 2 1 253.415 2.409 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCSC[C@H]1C ZINC000934305290 624400570 /nfs/dbraw/zinc/40/05/70/624400570.db2.gz XVUVKUQMCVZCNK-GFCCVEGCSA-N 2 1 253.415 2.409 20 0 CEADMP CC(C)CO[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892224191 624436089 /nfs/dbraw/zinc/43/60/89/624436089.db2.gz BJHOCURBHABRFQ-HNNXBMFYSA-N 2 1 254.418 2.075 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCOC12CCCC2 ZINC000934386500 624461710 /nfs/dbraw/zinc/46/17/10/624461710.db2.gz LFLRVBHDMLFQAI-CQSZACIVSA-N 2 1 263.385 2.273 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn2ccnc2s1 ZINC000892510519 625742513 /nfs/dbraw/zinc/74/25/13/625742513.db2.gz MBRAGPFLFIMGSD-NSHDSACASA-N 2 1 289.408 2.327 20 0 CEADMP CNc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000902079811 634452512 /nfs/dbraw/zinc/45/25/12/634452512.db2.gz ZOWBZDXTFLJZCA-GJZGRUSLSA-N 2 1 259.397 2.445 20 0 CEADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)nc1 ZINC000892521493 625894117 /nfs/dbraw/zinc/89/41/17/625894117.db2.gz VXYGRLSBGVUISM-LBPRGKRZSA-N 2 1 274.368 2.021 20 0 CEADMP CCNc1ccccc1CNC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902200541 634521430 /nfs/dbraw/zinc/52/14/30/634521430.db2.gz FYZGRKXMMVYYRQ-HOTGVXAUSA-N 2 1 289.423 2.071 20 0 CEADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccco1 ZINC000820806492 634534420 /nfs/dbraw/zinc/53/44/20/634534420.db2.gz JKATXIKYPUIVBR-FBAPMCOASA-N 2 1 276.380 2.060 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(F)c(C)c1 ZINC000892624397 627320703 /nfs/dbraw/zinc/32/07/03/627320703.db2.gz RSXMRGZWHAFNKQ-UHFFFAOYSA-N 2 1 262.332 2.214 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@]2(C)Br)C1 ZINC000892668615 627376057 /nfs/dbraw/zinc/37/60/57/627376057.db2.gz OUPUWZSJLUVRHR-AGIUHOORSA-N 2 1 289.261 2.481 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902331067 634592234 /nfs/dbraw/zinc/59/22/34/634592234.db2.gz SGUYIEARTCDUEG-OAGGEKHMSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H](CO)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000678045697 627693208 /nfs/dbraw/zinc/69/32/08/627693208.db2.gz OIDAGYNTVPFKGM-HOTGVXAUSA-N 2 1 268.445 2.059 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902337476 634598441 /nfs/dbraw/zinc/59/84/41/634598441.db2.gz HLFJMDSWPCNOGZ-HUUCEWRRSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@@H]1CCCN(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902337476 634598445 /nfs/dbraw/zinc/59/84/45/634598445.db2.gz HLFJMDSWPCNOGZ-HUUCEWRRSA-N 2 1 267.461 2.086 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@@]2(C)Br)C1 ZINC000892946786 627877782 /nfs/dbraw/zinc/87/77/82/627877782.db2.gz NYDIJDKFLPXYIU-GRYCIOLGSA-N 2 1 275.234 2.091 20 0 CEADMP COc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)nc1 ZINC000893031393 627956379 /nfs/dbraw/zinc/95/63/79/627956379.db2.gz XQTUTVMYBYFWME-UHFFFAOYSA-N 2 1 274.368 2.165 20 0 CEADMP C[C@H]([NH3+])[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000925514868 628052468 /nfs/dbraw/zinc/05/24/68/628052468.db2.gz GQCLEUUMQSSOME-VRKREXBASA-N 2 1 261.413 2.147 20 0 CEADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000925518357 628067304 /nfs/dbraw/zinc/06/73/04/628067304.db2.gz YCQYYPFVGBGICA-TZMCWYRMSA-N 2 1 265.445 2.109 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH2+]C(C)(C)C ZINC000930546006 628076146 /nfs/dbraw/zinc/07/61/46/628076146.db2.gz QDVDMJCQOBUWFV-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP CC[N@@H+](CCNC(=[NH2+])NC1CCCCCC1)C1CC1 ZINC000092277995 628095046 /nfs/dbraw/zinc/09/50/46/628095046.db2.gz HSXHJOUPHQEEEN-UHFFFAOYSA-N 2 1 266.433 2.098 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000902392891 634632814 /nfs/dbraw/zinc/63/28/14/634632814.db2.gz LVKHXQUMHFCOGV-KBPBESRZSA-N 3 1 265.445 2.029 20 0 CEADMP CC(C)CC[NH+]1CCC(CN[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925540818 628165304 /nfs/dbraw/zinc/16/53/04/628165304.db2.gz GCHFCFDETNAIKU-INIZCTEOSA-N 2 1 281.488 2.475 20 0 CEADMP COCCC[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(F)cc1 ZINC000902404930 634640040 /nfs/dbraw/zinc/64/00/40/634640040.db2.gz HEEJAMWMZGLBJN-AWEZNQCLSA-N 2 1 266.360 2.374 20 0 CEADMP COc1cc([C@H](C)[NH2+]CC2([NH3+])CC2)ccc1OC(F)F ZINC000902417706 634643776 /nfs/dbraw/zinc/64/37/76/634643776.db2.gz ZBLKGQSWDBGUIY-VIFPVBQESA-N 2 1 286.322 2.439 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925621212 628312636 /nfs/dbraw/zinc/31/26/36/628312636.db2.gz CXZBWCIYDANGPC-CABCVRRESA-N 2 1 268.445 2.438 20 0 CEADMP COc1cccc2[nH]cc(CC[NH2+][C@H]3CCC[NH2+][C@H]3C)c21 ZINC000925628488 628323312 /nfs/dbraw/zinc/32/33/12/628323312.db2.gz HOENMMRFRGTNLL-JSGCOSHPSA-N 2 1 287.407 2.449 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)[C@@H]1c1ccccc1 ZINC000925631061 628325413 /nfs/dbraw/zinc/32/54/13/628325413.db2.gz UAMIUZWGOQNICH-HZMVEIRTSA-N 2 1 285.435 2.291 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]([NH+](C)C)[C@H]2C)c1C ZINC000931040899 628340772 /nfs/dbraw/zinc/34/07/72/628340772.db2.gz FQSKOJSDQMOMID-HIFRSBDPSA-N 2 1 277.412 2.231 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000925651360 628356492 /nfs/dbraw/zinc/35/64/92/628356492.db2.gz BEZRDDVDWUJHJX-VYDXJSESSA-N 2 1 292.398 2.022 20 0 CEADMP CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001026571722 628361285 /nfs/dbraw/zinc/36/12/85/628361285.db2.gz IXHNUOBVNOORON-UYSNPLJNSA-N 2 1 295.471 2.286 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000902432792 634654756 /nfs/dbraw/zinc/65/47/56/634654756.db2.gz PXMXVSFETSFDQI-HZPDHXFCSA-N 2 1 276.428 2.433 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000925676618 628465422 /nfs/dbraw/zinc/46/54/22/628465422.db2.gz KPGRQJFBHXFHKZ-GWCFXTLKSA-N 2 1 287.329 2.373 20 0 CEADMP C[C@@H]([NH3+])[C@@H]([NH2+]C[C@H](C)CCCO)c1ccccc1 ZINC000925679300 628474296 /nfs/dbraw/zinc/47/42/96/628474296.db2.gz IJKBZOJNOROINW-UMVBOHGHSA-N 2 1 250.386 2.073 20 0 CEADMP CC1(C)[C@@H](NCc2ccc(CC[NH3+])cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925689520 628500924 /nfs/dbraw/zinc/50/09/24/628500924.db2.gz BACYDZOLQDDIMT-IKGGRYGDSA-N 2 1 287.451 2.054 20 0 CEADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925690890 628506715 /nfs/dbraw/zinc/50/67/15/628506715.db2.gz HYPWHWBALYIUQN-HZPDHXFCSA-N 3 1 267.461 2.132 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000194500057 628509290 /nfs/dbraw/zinc/50/92/90/628509290.db2.gz SUVQJTIDGRMDED-MRXNPFEDSA-N 2 1 282.428 2.158 20 0 CEADMP CC1(C)C[C@@H]([NH2+]Cc2ccc3cncn3c2)C[C@@H]([NH3+])C1 ZINC000925692322 628510483 /nfs/dbraw/zinc/51/04/83/628510483.db2.gz JOXHLKBXVJTQNO-KGLIPLIRSA-N 2 1 272.396 2.330 20 0 CEADMP C[N@H+]1CCN(C(=O)CC[NH2+]C(C)(C)C)CC12CCCCC2 ZINC000821232426 634661711 /nfs/dbraw/zinc/66/17/11/634661711.db2.gz SFBTVSDOTNNSLF-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1ccc(F)c(CC[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000925697119 628532358 /nfs/dbraw/zinc/53/23/58/628532358.db2.gz YSRPHRWFJZENAQ-AWEZNQCLSA-N 2 1 250.361 2.407 20 0 CEADMP [NH3+][C@@H]1C[C@@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)C12CCC2 ZINC000925704206 628547925 /nfs/dbraw/zinc/54/79/25/628547925.db2.gz CJTNJGLXEJMPDK-NUEKZKHPSA-N 2 1 277.456 2.253 20 0 CEADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925712424 628563211 /nfs/dbraw/zinc/56/32/11/628563211.db2.gz URQQZPQUIHSGEH-XJFOESAGSA-N 2 1 288.382 2.026 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902473430 634665445 /nfs/dbraw/zinc/66/54/45/634665445.db2.gz YCRFSYRKXKIUCV-QIJZBDPFSA-N 2 1 274.408 2.499 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473442 634665623 /nfs/dbraw/zinc/66/56/23/634665623.db2.gz YSTOVIREYDHDOZ-PMOUVXMZSA-N 2 1 260.381 2.109 20 0 CEADMP CCC[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)OCC ZINC000925722427 628595537 /nfs/dbraw/zinc/59/55/37/628595537.db2.gz IJVRSOAWLPAZEF-KBPBESRZSA-N 2 1 254.418 2.456 20 0 CEADMP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC(F)(F)C1 ZINC000925733055 628688247 /nfs/dbraw/zinc/68/82/47/628688247.db2.gz FMRCMKXSGSTTDT-YNEHKIRRSA-N 2 1 288.382 2.169 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)[C@@H]1CCCC[NH2+]1 ZINC000902459034 634680034 /nfs/dbraw/zinc/68/00/34/634680034.db2.gz AQSAPENGVNXTKL-MJBXVCDLSA-N 2 1 254.418 2.454 20 0 CEADMP Cc1cc(N)nc(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)[nH+]1 ZINC000893586119 628759902 /nfs/dbraw/zinc/75/99/02/628759902.db2.gz WVEIUYMDOFENEL-WFASDCNBSA-N 2 1 285.395 2.471 20 0 CEADMP Cc1nc(N[C@H]2CC[NH2+]C2)cc(Nc2ccccc2)[nH+]1 ZINC000258755206 628764805 /nfs/dbraw/zinc/76/48/05/628764805.db2.gz PBIBGADRZPUEOI-ZDUSSCGKSA-N 2 1 269.352 2.302 20 0 CEADMP COc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000258929543 628783559 /nfs/dbraw/zinc/78/35/59/628783559.db2.gz GZBUIMJMEFNEOP-LLVKDONJSA-N 2 1 268.788 2.438 20 0 CEADMP C[N@@H+](CCc1ccccc1F)C[C@H]1CCC[NH2+]C1 ZINC000259016836 628788550 /nfs/dbraw/zinc/78/85/50/628788550.db2.gz NNCXJFKWDQLPDJ-ZDUSSCGKSA-N 2 1 250.361 2.300 20 0 CEADMP C[C@@H]([NH2+]Cc1nccc2c1CCCC2)[C@H]1CC[NH2+]C1 ZINC000925805656 628856414 /nfs/dbraw/zinc/85/64/14/628856414.db2.gz KPARHOJDAHKBPD-OCCSQVGLSA-N 2 1 259.397 2.048 20 0 CEADMP C(C[N@H+]1CCO[C@@H]2CCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250975028 628945265 /nfs/dbraw/zinc/94/52/65/628945265.db2.gz APLHPUMMRKMBII-GWONACJQSA-N 2 1 264.413 2.160 20 0 CEADMP CC1(C)C[C@@H]([NH2+]Cc2nc3c(s2)COCC3)C[C@@H]([NH3+])C1 ZINC000925879653 628978945 /nfs/dbraw/zinc/97/89/45/628978945.db2.gz BIHMNHYXFRZZCF-MNOVXSKESA-N 2 1 295.452 2.211 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000902514541 634709147 /nfs/dbraw/zinc/70/91/47/634709147.db2.gz PGVKJLSHQJDNAZ-KFWWJZLASA-N 2 1 269.477 2.458 20 0 CEADMP C[N@H+](Cc1ccc2[nH]c(=O)[nH]c2c1)CC1CC[NH+](C)CC1 ZINC000894001997 629082848 /nfs/dbraw/zinc/08/28/48/629082848.db2.gz KRACIXLMYITLEQ-UHFFFAOYSA-N 2 1 288.395 2.042 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3COC[C@H]3C3CC3)CC[NH2+]2)cc1 ZINC000902516549 634710040 /nfs/dbraw/zinc/71/00/40/634710040.db2.gz DJKBQLMIPBOQDE-VSZNYVQBSA-N 2 1 286.419 2.494 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C1(Br)CC1 ZINC000924874516 629148136 /nfs/dbraw/zinc/14/81/36/629148136.db2.gz TUVRLBOWQSGBEF-VIFPVBQESA-N 2 1 272.190 2.097 20 0 CEADMP CC[C@@H]([NH2+]CCOC1CCSCC1)[C@@H]1CCC[NH2+]1 ZINC000902519924 634712128 /nfs/dbraw/zinc/71/21/28/634712128.db2.gz NFZSISBGXKWTPK-KGLIPLIRSA-N 2 1 272.458 2.019 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)CC[NH2+]C1 ZINC000261774894 629190223 /nfs/dbraw/zinc/19/02/23/629190223.db2.gz NBPIXALLVHXBDX-MSOLQXFVSA-N 2 1 288.435 2.012 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000878104470 629221727 /nfs/dbraw/zinc/22/17/27/629221727.db2.gz LYOZTAKSYHKHDB-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCCOC(F)(F)F)CC[C@H]21 ZINC000878196997 629223855 /nfs/dbraw/zinc/22/38/55/629223855.db2.gz KQENWTIBSSMSKF-NWDGAFQWSA-N 2 1 280.334 2.329 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCCOC(F)(F)F)CC[C@H]21 ZINC000878196997 629223858 /nfs/dbraw/zinc/22/38/58/629223858.db2.gz KQENWTIBSSMSKF-NWDGAFQWSA-N 2 1 280.334 2.329 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCOC(F)(F)F)CC[C@H]21 ZINC000878196997 629223859 /nfs/dbraw/zinc/22/38/59/629223859.db2.gz KQENWTIBSSMSKF-NWDGAFQWSA-N 2 1 280.334 2.329 20 0 CEADMP CC(C)c1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000894249425 629256187 /nfs/dbraw/zinc/25/61/87/629256187.db2.gz VQWQKLGNQSFTDS-UHFFFAOYSA-N 2 1 276.428 2.374 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC000924954963 629292850 /nfs/dbraw/zinc/29/28/50/629292850.db2.gz YQPMPIYCRWJSAU-QWHCGFSZSA-N 2 1 290.415 2.351 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)CS1 ZINC000894377609 629409201 /nfs/dbraw/zinc/40/92/01/629409201.db2.gz CINPXXGZVWPJOO-CVEARBPZSA-N 2 1 299.528 2.134 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2cnn(C)c2)s1 ZINC000261999545 629420686 /nfs/dbraw/zinc/42/06/86/629420686.db2.gz TZYRIRBOGYRINV-RYUDHWBXSA-N 2 1 290.436 2.318 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)CC1 ZINC000894396878 629430111 /nfs/dbraw/zinc/43/01/11/629430111.db2.gz JPEGYLYOZTXRMD-OAHLLOKOSA-N 2 1 262.401 2.279 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000894480347 629485411 /nfs/dbraw/zinc/48/54/11/629485411.db2.gz YZMFCHWUTPAINS-CQSZACIVSA-N 2 1 278.396 2.452 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000821520221 634745690 /nfs/dbraw/zinc/74/56/90/634745690.db2.gz GOOPJNFVEPWSPU-CQSZACIVSA-N 2 1 283.460 2.096 20 0 CEADMP Cc1ccnc(N)c1CN1CC(N(C)Cc2ccccc2)C1 ZINC000894975853 629777343 /nfs/dbraw/zinc/77/73/43/629777343.db2.gz OZVUTTZPEHLLSH-UHFFFAOYSA-N 2 1 296.418 2.288 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)[C@@H]2CCC[C@@H]21 ZINC000796854418 630040230 /nfs/dbraw/zinc/04/02/30/630040230.db2.gz KMGMLMKVAYELFD-UGUYLWEFSA-N 2 1 294.439 2.135 20 0 CEADMP C[C@@H](CC[NH2+]Cc1ccc2c(c1)ncn2C)[NH+](C)C ZINC000895297508 630090251 /nfs/dbraw/zinc/09/02/51/630090251.db2.gz YABHYPBIKQWEAO-LBPRGKRZSA-N 2 1 260.385 2.003 20 0 CEADMP Cc1ncoc1CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895359458 630137635 /nfs/dbraw/zinc/13/76/35/630137635.db2.gz FPSLUFFJSFAEDS-AWEZNQCLSA-N 2 1 263.385 2.195 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)n1 ZINC000895557858 630248775 /nfs/dbraw/zinc/24/87/75/630248775.db2.gz RPIAKUVOJLSKHQ-CQSZACIVSA-N 2 1 298.390 2.201 20 0 CEADMP C[N@H+]1CCCC[C@@H](CNCc2cn3ccnc3s2)C1 ZINC000895587497 630261883 /nfs/dbraw/zinc/26/18/83/630261883.db2.gz WYHIGHXYARECBI-LBPRGKRZSA-N 2 1 278.425 2.217 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000895587497 630261886 /nfs/dbraw/zinc/26/18/86/630261886.db2.gz WYHIGHXYARECBI-LBPRGKRZSA-N 2 1 278.425 2.217 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000895587497 630261887 /nfs/dbraw/zinc/26/18/87/630261887.db2.gz WYHIGHXYARECBI-LBPRGKRZSA-N 2 1 278.425 2.217 20 0 CEADMP CCn1cc(CNC[C@H]2CCCC[N@@H+](C)C2)c(C)n1 ZINC000895587218 630261993 /nfs/dbraw/zinc/26/19/93/630261993.db2.gz LSMJARFYPSFCCY-CQSZACIVSA-N 2 1 264.417 2.033 20 0 CEADMP CCn1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C)n1 ZINC000895587218 630261995 /nfs/dbraw/zinc/26/19/95/630261995.db2.gz LSMJARFYPSFCCY-CQSZACIVSA-N 2 1 264.417 2.033 20 0 CEADMP CCn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)n1 ZINC000895587218 630261997 /nfs/dbraw/zinc/26/19/97/630261997.db2.gz LSMJARFYPSFCCY-CQSZACIVSA-N 2 1 264.417 2.033 20 0 CEADMP CCn1cc(CNC[C@@H]2CCCC[N@@H+](C)C2)c(C)n1 ZINC000895587217 630262110 /nfs/dbraw/zinc/26/21/10/630262110.db2.gz LSMJARFYPSFCCY-AWEZNQCLSA-N 2 1 264.417 2.033 20 0 CEADMP CCn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C)n1 ZINC000895587217 630262114 /nfs/dbraw/zinc/26/21/14/630262114.db2.gz LSMJARFYPSFCCY-AWEZNQCLSA-N 2 1 264.417 2.033 20 0 CEADMP CCn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)n1 ZINC000895587217 630262115 /nfs/dbraw/zinc/26/21/15/630262115.db2.gz LSMJARFYPSFCCY-AWEZNQCLSA-N 2 1 264.417 2.033 20 0 CEADMP COc1ccc2c(NC[C@H]3CC[N@H+]3C)cc[nH+]c2c1 ZINC000895771316 630339719 /nfs/dbraw/zinc/33/97/19/630339719.db2.gz XFLOENVZZDLMDZ-LLVKDONJSA-N 2 1 257.337 2.359 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000895855171 630377948 /nfs/dbraw/zinc/37/79/48/630377948.db2.gz ORVMYIMTJVRABO-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000895855171 630377952 /nfs/dbraw/zinc/37/79/52/630377952.db2.gz ORVMYIMTJVRABO-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000895855171 630377954 /nfs/dbraw/zinc/37/79/54/630377954.db2.gz ORVMYIMTJVRABO-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP CCO[C@H](C[NH2+]C[C@H](C)Cc1ccccc1)C[NH+](C)C ZINC000896880528 630699435 /nfs/dbraw/zinc/69/94/35/630699435.db2.gz XBFNEMZFNUFWQW-NVXWUHKLSA-N 2 1 278.440 2.422 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC)C1 ZINC000985024422 630769454 /nfs/dbraw/zinc/76/94/54/630769454.db2.gz GKJFTSGPQPCBCL-JYJNAYRXSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CSC[C@H]1C ZINC000796400855 630795316 /nfs/dbraw/zinc/79/53/16/630795316.db2.gz ZKYGTJKVJWLKDP-WZRBSPASSA-N 2 1 253.415 2.169 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CC[C@@H]3CCOC3)C2)CC1 ZINC000798957258 630957044 /nfs/dbraw/zinc/95/70/44/630957044.db2.gz PLKDGFZNSCZCBM-OAHLLOKOSA-N 2 1 266.429 2.221 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CCCO)CC[N@@H+]1C ZINC000925142996 631021853 /nfs/dbraw/zinc/02/18/53/631021853.db2.gz PCCNFAGTANGFKO-QXSJWSMHSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CCCO)CC[N@H+]1C ZINC000925142996 631021855 /nfs/dbraw/zinc/02/18/55/631021855.db2.gz PCCNFAGTANGFKO-QXSJWSMHSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC000320647248 631108735 /nfs/dbraw/zinc/10/87/35/631108735.db2.gz FYEHRQQKTSKZFO-RLAWYHOSSA-N 2 1 282.428 2.179 20 0 CEADMP COC1(OC)CC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000925218484 631179462 /nfs/dbraw/zinc/17/94/62/631179462.db2.gz YLQFIVVWRPWKTQ-OAHLLOKOSA-N 2 1 282.428 2.135 20 0 CEADMP CC(C)[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000985801333 631183863 /nfs/dbraw/zinc/18/38/63/631183863.db2.gz DWPFLBWUEFYLEC-GASCZTMLSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000985801333 631183865 /nfs/dbraw/zinc/18/38/65/631183865.db2.gz DWPFLBWUEFYLEC-GASCZTMLSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000985801333 631183867 /nfs/dbraw/zinc/18/38/67/631183867.db2.gz DWPFLBWUEFYLEC-GASCZTMLSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@H](C)[C@H](C)C2=O)CC1 ZINC000840003824 631573059 /nfs/dbraw/zinc/57/30/59/631573059.db2.gz NYMIDCAMLXQUAY-GJZGRUSLSA-N 2 1 295.471 2.111 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C3(O)CCC3)CC2)[C@H](C)C1 ZINC000897528643 631666042 /nfs/dbraw/zinc/66/60/42/631666042.db2.gz NIYFLJACHILIQI-KGLIPLIRSA-N 2 1 266.429 2.002 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000897582119 631795930 /nfs/dbraw/zinc/79/59/30/631795930.db2.gz ZADDKGCWXKOAPZ-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)(C)[NH+]1CC[C@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000897582119 631795932 /nfs/dbraw/zinc/79/59/32/631795932.db2.gz ZADDKGCWXKOAPZ-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)(C)[NH+]1CC[C@H]1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000897582119 631795935 /nfs/dbraw/zinc/79/59/35/631795935.db2.gz ZADDKGCWXKOAPZ-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897788327 631917494 /nfs/dbraw/zinc/91/74/94/631917494.db2.gz CQAMTRXMMZTZEK-KBPBESRZSA-N 2 1 283.460 2.096 20 0 CEADMP CO[C@@H]1CCOC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000897891312 631963944 /nfs/dbraw/zinc/96/39/44/631963944.db2.gz AAUODKIIOSLOGB-IAGOWNOFSA-N 2 1 296.455 2.177 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000808731900 632007828 /nfs/dbraw/zinc/00/78/28/632007828.db2.gz CSSRWAWNXOLZLC-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000808731900 632007830 /nfs/dbraw/zinc/00/78/30/632007830.db2.gz CSSRWAWNXOLZLC-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3nonc3c2)CC1(C)C ZINC000897990880 632008013 /nfs/dbraw/zinc/00/80/13/632008013.db2.gz ZKXUQXRHSYVAOC-GFCCVEGCSA-N 2 1 274.368 2.185 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3nonc3c2)CC1(C)C ZINC000897990880 632008018 /nfs/dbraw/zinc/00/80/18/632008018.db2.gz ZKXUQXRHSYVAOC-GFCCVEGCSA-N 2 1 274.368 2.185 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccnc2C)[C@H](C)C1 ZINC000898252738 632123052 /nfs/dbraw/zinc/12/30/52/632123052.db2.gz GZXODEJJDVTBOY-CJNGLKHVSA-N 2 1 261.413 2.252 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)CC1CCC2(CC1)OCCO2 ZINC000898308343 632166430 /nfs/dbraw/zinc/16/64/30/632166430.db2.gz ZGXNHEWPHZOYRW-UHFFFAOYSA-N 2 1 298.471 2.439 20 0 CEADMP O=C(O[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c[nH+]cn2c1 ZINC000810838899 632285135 /nfs/dbraw/zinc/28/51/35/632285135.db2.gz SMGQNFVZSSNAHG-ZFWWWQNUSA-N 2 1 285.347 2.118 20 0 CEADMP CCO[C@@H](C[NH2+]C1CCC(CSC)CC1)C[NH+](C)C ZINC000926961573 632389190 /nfs/dbraw/zinc/38/91/90/632389190.db2.gz PJSRGDPTMURYFI-NRXISQOPSA-N 2 1 288.501 2.465 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H](C)c1cccs1)CN(C)C ZINC000926966931 632397077 /nfs/dbraw/zinc/39/70/77/632397077.db2.gz YWMXYYAFNSSLJA-RYUDHWBXSA-N 2 1 256.415 2.365 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2[C@H](C)CC[C@@H]2C)CC1 ZINC000924657464 632398670 /nfs/dbraw/zinc/39/86/70/632398670.db2.gz DQCTVIMWQNAJKP-FVQHAEBGSA-N 2 1 281.488 2.428 20 0 CEADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000924705265 632440118 /nfs/dbraw/zinc/44/01/18/632440118.db2.gz KZLAPNXFSXLBQY-KFWWJZLASA-N 2 1 256.434 2.248 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000898479423 632512776 /nfs/dbraw/zinc/51/27/76/632512776.db2.gz VNLJAFGNUBKGNA-HZSPNIEDSA-N 2 1 282.428 2.181 20 0 CEADMP C(C[NH+]1CCCCC1)C[NH+]1CCC2(CC1)OCCCO2 ZINC000815159214 632974648 /nfs/dbraw/zinc/97/46/48/632974648.db2.gz MOWDJQSNSDPSQI-UHFFFAOYSA-N 2 1 282.428 2.091 20 0 CEADMP COC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000815579658 633033791 /nfs/dbraw/zinc/03/37/91/633033791.db2.gz SAZXEWMFUQNXOY-HIFRSBDPSA-N 2 1 284.444 2.033 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+]2C[C@@H](O)c2cccc(F)c2)CC1 ZINC000899909657 633091169 /nfs/dbraw/zinc/09/11/69/633091169.db2.gz GTOWVMOYDZQHCG-OAHLLOKOSA-N 2 1 278.371 2.029 20 0 CEADMP C[NH+]1CCC2(CC[N@H+]2C[C@@H](O)c2cccc(F)c2)CC1 ZINC000899909657 633091173 /nfs/dbraw/zinc/09/11/73/633091173.db2.gz GTOWVMOYDZQHCG-OAHLLOKOSA-N 2 1 278.371 2.029 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000817888068 633751675 /nfs/dbraw/zinc/75/16/75/633751675.db2.gz ACRDRRCVZKYLTM-UPJWGTAASA-N 2 1 288.313 2.208 20 0 CEADMP C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000817912656 633770732 /nfs/dbraw/zinc/77/07/32/633770732.db2.gz KZBPUYLGSCQHGT-JTNHKYCSSA-N 2 1 275.352 2.250 20 0 CEADMP COc1cccc2[nH]cc(CC[NH2+][C@H]3C[NH2+]CC[C@@H]3C)c21 ZINC000817920474 633778473 /nfs/dbraw/zinc/77/84/73/633778473.db2.gz MNVSWUTUAHUJPJ-WFASDCNBSA-N 2 1 287.407 2.307 20 0 CEADMP COc1cccc2[nH]cc(CC[NH2+][C@H]3C[NH2+]CC[C@H]3C)c21 ZINC000817920471 633778894 /nfs/dbraw/zinc/77/88/94/633778894.db2.gz MNVSWUTUAHUJPJ-DOMZBBRYSA-N 2 1 287.407 2.307 20 0 CEADMP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccccc1Cl ZINC000817923249 633779748 /nfs/dbraw/zinc/77/97/48/633779748.db2.gz VDVIDOVKFAQYJQ-MJBXVCDLSA-N 2 1 268.788 2.017 20 0 CEADMP C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000817924348 633780708 /nfs/dbraw/zinc/78/07/08/633780708.db2.gz QPEVUEAVODRCOO-PVAVHDDUSA-N 2 1 276.424 2.404 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccnc1Cl ZINC000817946548 633793678 /nfs/dbraw/zinc/79/36/78/633793678.db2.gz ZAUWAUPKZSPHOE-GHMZBOCLSA-N 2 1 253.777 2.385 20 0 CEADMP C[C@H]1CC2(C[N@@H+]1Cc1ncc(Cl)n1C)CC[NH2+]CC2 ZINC000818431805 633921130 /nfs/dbraw/zinc/92/11/30/633921130.db2.gz TYSYXDQYLJHQAL-NSHDSACASA-N 2 1 282.819 2.038 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1ncc(Cl)n1C)CC[NH2+]CC2 ZINC000818431805 633921134 /nfs/dbraw/zinc/92/11/34/633921134.db2.gz TYSYXDQYLJHQAL-NSHDSACASA-N 2 1 282.819 2.038 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000818965063 634018774 /nfs/dbraw/zinc/01/87/74/634018774.db2.gz CTRDSXNWWUPZJE-RHSMWYFYSA-N 2 1 287.407 2.459 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC1(O)CCCCC1 ZINC000818965492 634020020 /nfs/dbraw/zinc/02/00/20/634020020.db2.gz IMZVOGRCGZSPMI-ZDUSSCGKSA-N 2 1 265.401 2.112 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000818981441 634027771 /nfs/dbraw/zinc/02/77/71/634027771.db2.gz UEAXOCMRCKUELD-WBMJQRKESA-N 2 1 298.377 2.320 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000818981440 634028177 /nfs/dbraw/zinc/02/81/77/634028177.db2.gz UEAXOCMRCKUELD-MLGOLLRUSA-N 2 1 298.377 2.320 20 0 CEADMP C[C@H](CC[NH2+]C[C@H](O)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000819126713 634075371 /nfs/dbraw/zinc/07/53/71/634075371.db2.gz QQHDSRIDHYNNNB-PBHICJAKSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)C1=CC[N@@H+](C)CC1 ZINC000819219463 634107795 /nfs/dbraw/zinc/10/77/95/634107795.db2.gz FDEWUBMGBKUMIM-BDJLRTHQSA-N 2 1 296.361 2.238 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924785892 634849591 /nfs/dbraw/zinc/84/95/91/634849591.db2.gz AEIRBUWQXVZSJB-LZWOXQAQSA-N 2 1 264.413 2.042 20 0 CEADMP CC[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903091580 634974127 /nfs/dbraw/zinc/97/41/27/634974127.db2.gz WYEIAIWSAQYMNO-ZNXRZULTSA-N 3 1 291.483 2.466 20 0 CEADMP CC(C)(C)NC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903115926 634979028 /nfs/dbraw/zinc/97/90/28/634979028.db2.gz JCSLDHYCDQOEGP-LQDVMPOASA-N 2 1 293.455 2.039 20 0 CEADMP O=C1OCC[C@@H]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903216860 635019975 /nfs/dbraw/zinc/01/99/75/635019975.db2.gz JRIQLMKNEGPVFB-WYQXTGKHSA-N 2 1 292.423 2.077 20 0 CEADMP C[C@@]1(c2ccccc2)C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903438307 635117698 /nfs/dbraw/zinc/11/76/98/635117698.db2.gz UIZARSARRYEHAS-PVAVHDDUSA-N 2 1 274.408 2.361 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)C1 ZINC000903438176 635117778 /nfs/dbraw/zinc/11/77/78/635117778.db2.gz RMFHKPVCBCDQFS-YXJHDRRASA-N 2 1 288.435 2.486 20 0 CEADMP CCO[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000903439971 635118764 /nfs/dbraw/zinc/11/87/64/635118764.db2.gz RVWBEBJXPJPSQL-RQJABVFESA-N 2 1 254.418 2.249 20 0 CEADMP FC(F)(F)[C@@H]1CC[C@@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)O1 ZINC000903420971 635121772 /nfs/dbraw/zinc/12/17/72/635121772.db2.gz IIYHHBWUZRQCIZ-STQMWFEESA-N 2 1 292.345 2.313 20 0 CEADMP C[C@H](c1ncccn1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000903463852 635127408 /nfs/dbraw/zinc/12/74/08/635127408.db2.gz POYVDTIMOWIYCI-UKRRQHHQSA-N 2 1 274.412 2.249 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000903442017 635128452 /nfs/dbraw/zinc/12/84/52/635128452.db2.gz FYKGJOFVKLIXMT-AEFFLSMTSA-N 2 1 293.499 2.430 20 0 CEADMP CC1CCC(N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)CC1 ZINC000903444261 635130186 /nfs/dbraw/zinc/13/01/86/635130186.db2.gz RGVCKBXRRQBRBG-GMRIPVOYSA-N 2 1 279.472 2.310 20 0 CEADMP CN(Cc1ccccc1)[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903444058 635130908 /nfs/dbraw/zinc/13/09/08/635130908.db2.gz OLIMKTJADVNUSH-SQNIBIBYSA-N 2 1 287.451 2.320 20 0 CEADMP CCc1ccc([C@@H]2CNCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903451799 635135992 /nfs/dbraw/zinc/13/59/92/635135992.db2.gz DTMHNLLRSFRROF-NJAFHUGGSA-N 2 1 287.451 2.323 20 0 CEADMP CCc1ccc([C@@H]2C[NH2+]CCN2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903451799 635135995 /nfs/dbraw/zinc/13/59/95/635135995.db2.gz DTMHNLLRSFRROF-NJAFHUGGSA-N 2 1 287.451 2.323 20 0 CEADMP CCc1ccc2ccccc2c1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000903453670 635136792 /nfs/dbraw/zinc/13/67/92/635136792.db2.gz HLUYMPGZQPHIPN-HNNXBMFYSA-N 2 1 272.392 2.154 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)nn1 ZINC000903453507 635137007 /nfs/dbraw/zinc/13/70/07/635137007.db2.gz AGCOJLUUACRRDX-HZPDHXFCSA-N 2 1 288.439 2.305 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000903456735 635139631 /nfs/dbraw/zinc/13/96/31/635139631.db2.gz KDMZGDARDRNQDK-MPTYRVRUSA-N 3 1 277.456 2.063 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000903456735 635139637 /nfs/dbraw/zinc/13/96/37/635139637.db2.gz KDMZGDARDRNQDK-MPTYRVRUSA-N 2 1 277.456 2.063 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000903456735 635139641 /nfs/dbraw/zinc/13/96/41/635139641.db2.gz KDMZGDARDRNQDK-MPTYRVRUSA-N 2 1 277.456 2.063 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)C1 ZINC000903456735 635139645 /nfs/dbraw/zinc/13/96/45/635139645.db2.gz KDMZGDARDRNQDK-MPTYRVRUSA-N 2 1 277.456 2.063 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)C1 ZINC000903456735 635139650 /nfs/dbraw/zinc/13/96/50/635139650.db2.gz KDMZGDARDRNQDK-MPTYRVRUSA-N 2 1 277.456 2.063 20 0 CEADMP C[C@@H]1C[N@@H+](CCC2SCCS2)C[C@H]1CC[NH3+] ZINC000903499615 635153886 /nfs/dbraw/zinc/15/38/86/635153886.db2.gz XFGAFODHFNRXOK-GHMZBOCLSA-N 2 1 260.472 2.099 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C1CCCC1 ZINC000903498971 635154439 /nfs/dbraw/zinc/15/44/39/635154439.db2.gz PNYYBZJRXYGACH-BPLDGKMQSA-N 2 1 254.418 2.108 20 0 CEADMP Cc1nc([C@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)no1 ZINC000903490703 635156155 /nfs/dbraw/zinc/15/61/55/635156155.db2.gz FCTNLCHGQZQPDM-HNNXBMFYSA-N 2 1 298.390 2.013 20 0 CEADMP Cn1nccc1[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903566612 635164548 /nfs/dbraw/zinc/16/45/48/635164548.db2.gz WMMBNYUNJGBLLF-SFHVURJKSA-N 2 1 296.418 2.403 20 0 CEADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000903565040 635164714 /nfs/dbraw/zinc/16/47/14/635164714.db2.gz CZGXEMLUJQUVAJ-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCCCCC1 ZINC000903718906 635233152 /nfs/dbraw/zinc/23/31/52/635233152.db2.gz TUHGUTCFCDXXQE-HOTGVXAUSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)CC(C)(C)C ZINC000903721992 635234681 /nfs/dbraw/zinc/23/46/81/635234681.db2.gz GWFRHEQLFYNJHM-ZDUSSCGKSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728455 635240983 /nfs/dbraw/zinc/24/09/83/635240983.db2.gz BVOBTJYSKLEHNR-QGPMSJSTSA-N 2 1 286.419 2.374 20 0 CEADMP CC(C)[C@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903731834 635242502 /nfs/dbraw/zinc/24/25/02/635242502.db2.gz AINKYSBUEGECHR-GJZGRUSLSA-N 2 1 266.429 2.123 20 0 CEADMP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]C1 ZINC000903747734 635246834 /nfs/dbraw/zinc/24/68/34/635246834.db2.gz WATFXSZWXJNJRW-KRWDZBQOSA-N 3 1 275.440 2.227 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]C1 ZINC000903747734 635246838 /nfs/dbraw/zinc/24/68/38/635246838.db2.gz WATFXSZWXJNJRW-KRWDZBQOSA-N 3 1 275.440 2.227 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000903749031 635248097 /nfs/dbraw/zinc/24/80/97/635248097.db2.gz FICUKPDZKQSCBF-GVDBMIGSSA-N 3 1 279.472 2.088 20 0 CEADMP CC(C)[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903734158 635250045 /nfs/dbraw/zinc/25/00/45/635250045.db2.gz PFHNGDPZVPYUOD-HUUCEWRRSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903734120 635250755 /nfs/dbraw/zinc/25/07/55/635250755.db2.gz OQCIXDKOBOZSDC-ZBFHGGJFSA-N 2 1 266.429 2.267 20 0 CEADMP C[NH2+]CCC[N@H+](C)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903761671 635257536 /nfs/dbraw/zinc/25/75/36/635257536.db2.gz ZIIWBGGCDBZPIB-GHMZBOCLSA-N 2 1 268.323 2.028 20 0 CEADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903761671 635257541 /nfs/dbraw/zinc/25/75/41/635257541.db2.gz ZIIWBGGCDBZPIB-GHMZBOCLSA-N 2 1 268.323 2.028 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)[C@@H]1CCC[NH3+] ZINC000903767104 635258655 /nfs/dbraw/zinc/25/86/55/635258655.db2.gz UDDIZFAUIWHTMX-OWCLPIDISA-N 3 1 267.461 2.216 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C[C@H]1CC[NH3+] ZINC000903784411 635268363 /nfs/dbraw/zinc/26/83/63/635268363.db2.gz OCFIPLJIPDJOJL-NDBYEHHHSA-N 2 1 294.361 2.403 20 0 CEADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000903789023 635271055 /nfs/dbraw/zinc/27/10/55/635271055.db2.gz STERWJQJJCCFKM-XMTFNYHQSA-N 2 1 290.451 2.266 20 0 CEADMP CCC(C)(C)NC(=O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903815124 635272488 /nfs/dbraw/zinc/27/24/88/635272488.db2.gz QGSCBKYUGFEGHD-CQSZACIVSA-N 2 1 295.471 2.275 20 0 CEADMP CCC(C)(C)NC(=O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903815124 635272492 /nfs/dbraw/zinc/27/24/92/635272492.db2.gz QGSCBKYUGFEGHD-CQSZACIVSA-N 2 1 295.471 2.275 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CC2CCOCC2)CCC1 ZINC000903816263 635273910 /nfs/dbraw/zinc/27/39/10/635273910.db2.gz XIKPUVPSEIHYOR-HNNXBMFYSA-N 2 1 266.429 2.397 20 0 CEADMP CC(C)[C@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903816346 635274045 /nfs/dbraw/zinc/27/40/45/635274045.db2.gz YOFUVJOVCHIXQL-LSDHHAIUSA-N 2 1 295.471 2.131 20 0 CEADMP CC(C)[C@H](C)NC(=O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903816346 635274047 /nfs/dbraw/zinc/27/40/47/635274047.db2.gz YOFUVJOVCHIXQL-LSDHHAIUSA-N 2 1 295.471 2.131 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1CC2(CCC2)CO1 ZINC000903801092 635278041 /nfs/dbraw/zinc/27/80/41/635278041.db2.gz KWBNUBXQXCFAKN-OFQRWUPVSA-N 2 1 264.413 2.149 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1CC2(CCC2)CO1 ZINC000903801092 635278045 /nfs/dbraw/zinc/27/80/45/635278045.db2.gz KWBNUBXQXCFAKN-OFQRWUPVSA-N 2 1 264.413 2.149 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000903801274 635278576 /nfs/dbraw/zinc/27/85/76/635278576.db2.gz LXVCJTRXWABFIQ-RFBLXINOSA-N 2 1 264.413 2.147 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000903801274 635278582 /nfs/dbraw/zinc/27/85/82/635278582.db2.gz LXVCJTRXWABFIQ-RFBLXINOSA-N 2 1 264.413 2.147 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@H](O)CCc1ccccc1 ZINC000903804216 635281033 /nfs/dbraw/zinc/28/10/33/635281033.db2.gz AXDMBULJAZHKDK-RCCFBDPRSA-N 2 1 288.435 2.183 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@H](O)CCc1ccccc1 ZINC000903804216 635281040 /nfs/dbraw/zinc/28/10/40/635281040.db2.gz AXDMBULJAZHKDK-RCCFBDPRSA-N 2 1 288.435 2.183 20 0 CEADMP CO[C@@H](C[N@@H+](C)C1(C[NH3+])CCOCC1)C1CCCCC1 ZINC000903809810 635283071 /nfs/dbraw/zinc/28/30/71/635283071.db2.gz LYMOIZKSQNQIHY-HNNXBMFYSA-N 2 1 284.444 2.021 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2C[C@H](O)CC(F)(F)F)CCC1 ZINC000903810538 635284565 /nfs/dbraw/zinc/28/45/65/635284565.db2.gz DINWZPWNMQUTTC-VXGBXAGGSA-N 2 1 294.361 2.283 20 0 CEADMP Cc1cc(C)nc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903819688 635288732 /nfs/dbraw/zinc/28/87/32/635288732.db2.gz LZTTXBCSXLNLEE-UHFFFAOYSA-N 2 1 289.423 2.043 20 0 CEADMP Cc1cc(C)nc(C[N@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903819688 635288736 /nfs/dbraw/zinc/28/87/36/635288736.db2.gz LZTTXBCSXLNLEE-UHFFFAOYSA-N 2 1 289.423 2.043 20 0 CEADMP COc1cccc(CCC[N@@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC000903868260 635301144 /nfs/dbraw/zinc/30/11/44/635301144.db2.gz XPJFELZWNQVNNC-QGZVFWFLSA-N 2 1 274.408 2.456 20 0 CEADMP COc1cccc(CCC[N@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC000903868260 635301146 /nfs/dbraw/zinc/30/11/46/635301146.db2.gz XPJFELZWNQVNNC-QGZVFWFLSA-N 2 1 274.408 2.456 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@@]23CC[NH2+]C3)c1C ZINC000903868569 635301563 /nfs/dbraw/zinc/30/15/63/635301563.db2.gz ZZYBMFATKRLTNN-INIZCTEOSA-N 2 1 275.396 2.035 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCOc1ccc(F)cc1)C2 ZINC000903847482 635303568 /nfs/dbraw/zinc/30/35/68/635303568.db2.gz JREVXKJMBVWNOX-CFVMTHIKSA-N 2 1 278.371 2.406 20 0 CEADMP CC1(C)C[C@H](C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])C(C)(C)O1 ZINC000903857179 635307402 /nfs/dbraw/zinc/30/74/02/635307402.db2.gz CQSCFHYIJSCTRU-ZENOOKHLSA-N 2 1 266.429 2.393 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])C(C)(C)O1 ZINC000903857179 635307406 /nfs/dbraw/zinc/30/74/06/635307406.db2.gz CQSCFHYIJSCTRU-ZENOOKHLSA-N 2 1 266.429 2.393 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCCc1ccsc1 ZINC000903859213 635310787 /nfs/dbraw/zinc/31/07/87/635310787.db2.gz LOMVAFOFJPJOSW-UONOGXRCSA-N 2 1 250.411 2.494 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCCc1ccsc1 ZINC000903859213 635310788 /nfs/dbraw/zinc/31/07/88/635310788.db2.gz LOMVAFOFJPJOSW-UONOGXRCSA-N 2 1 250.411 2.494 20 0 CEADMP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CCC[C@@]34CC[NH2+]C4)C[C@@H]21 ZINC000903869599 635319036 /nfs/dbraw/zinc/31/90/36/635319036.db2.gz IOAQWWXICJAASU-RVMXOQNASA-N 2 1 256.340 2.106 20 0 CEADMP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CCC[C@@]34CC[NH2+]C4)C[C@@H]21 ZINC000903869599 635319040 /nfs/dbraw/zinc/31/90/40/635319040.db2.gz IOAQWWXICJAASU-RVMXOQNASA-N 2 1 256.340 2.106 20 0 CEADMP c1cc([C@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n[nH]1 ZINC000903886002 635327976 /nfs/dbraw/zinc/32/79/76/635327976.db2.gz PVYIEBVHCRXTCM-WIGRTHMWSA-N 2 1 274.412 2.120 20 0 CEADMP c1cc([C@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[nH]n1 ZINC000903886002 635327984 /nfs/dbraw/zinc/32/79/84/635327984.db2.gz PVYIEBVHCRXTCM-WIGRTHMWSA-N 2 1 274.412 2.120 20 0 CEADMP c1cc([C@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)[nH]n1 ZINC000903886002 635327994 /nfs/dbraw/zinc/32/79/94/635327994.db2.gz PVYIEBVHCRXTCM-WIGRTHMWSA-N 2 1 274.412 2.120 20 0 CEADMP CC(C)C[C@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903893310 635328506 /nfs/dbraw/zinc/32/85/06/635328506.db2.gz UXHWHXHETJJJRQ-HUUCEWRRSA-N 2 1 291.443 2.071 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903899673 635335419 /nfs/dbraw/zinc/33/54/19/635335419.db2.gz WDKUOMVWGJDUKD-XYTVBORESA-N 3 1 279.472 2.181 20 0 CEADMP [NH3+][C@H](CC(F)F)C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000903905691 635340676 /nfs/dbraw/zinc/34/06/76/635340676.db2.gz LRYQSUNXMARROF-CABCVRRESA-N 2 1 298.377 2.242 20 0 CEADMP [NH3+][C@H](CC(F)F)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000903905691 635340682 /nfs/dbraw/zinc/34/06/82/635340682.db2.gz LRYQSUNXMARROF-CABCVRRESA-N 2 1 298.377 2.242 20 0 CEADMP C(O[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)C1CC1 ZINC000903909956 635344782 /nfs/dbraw/zinc/34/47/82/635344782.db2.gz YLDDXERCBNZEKO-HMQMGEFJSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](C)[C@@H](C)O1 ZINC000903912191 635345910 /nfs/dbraw/zinc/34/59/10/635345910.db2.gz AWTXTGBLYPXSIZ-MGPQQGTHSA-N 2 1 274.408 2.330 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1ccc2c(c1)CCCN2)CC(F)F ZINC000903918833 635347712 /nfs/dbraw/zinc/34/77/12/635347712.db2.gz JCGUOQDTWPZYCG-LBPRGKRZSA-N 2 1 269.339 2.117 20 0 CEADMP [NH3+][C@@H](C[NH2+][C@H]1CCc2c1cccc2F)CC(F)F ZINC000903926977 635353889 /nfs/dbraw/zinc/35/38/89/635353889.db2.gz WMLLTCPVNOQUGZ-PELKAZGASA-N 2 1 258.287 2.385 20 0 CEADMP CC(C)n1nccc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960171 635369595 /nfs/dbraw/zinc/36/95/95/635369595.db2.gz YEBLJOYBMXEIKY-INIZCTEOSA-N 2 1 276.428 2.430 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960171 635369598 /nfs/dbraw/zinc/36/95/98/635369598.db2.gz YEBLJOYBMXEIKY-INIZCTEOSA-N 2 1 276.428 2.430 20 0 CEADMP COC1(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)CCCC1 ZINC000903959448 635370023 /nfs/dbraw/zinc/37/00/23/635370023.db2.gz IGHRXSXNTOHPOO-HNNXBMFYSA-N 2 1 266.429 2.411 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cnc1Cl ZINC000903977735 635394716 /nfs/dbraw/zinc/39/47/16/635394716.db2.gz XYIPNUVVQXUWMC-DGCLKSJQSA-N 2 1 267.804 2.460 20 0 CEADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964888 635398947 /nfs/dbraw/zinc/39/89/47/635398947.db2.gz XTBKBJGADQFVOA-LALPHHSUSA-N 2 1 250.361 2.344 20 0 CEADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000903986255 635404883 /nfs/dbraw/zinc/40/48/83/635404883.db2.gz IHRPFEBHQPABFH-SOEBMCCKSA-N 3 1 279.472 2.371 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@H](Cc3nccs3)C2)CC[NH2+]C1 ZINC000903987605 635406707 /nfs/dbraw/zinc/40/67/07/635406707.db2.gz HRNGMNGYZBKJOK-HIFRSBDPSA-N 2 1 279.453 2.397 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OCO2)C[C@]1(C)CCC[NH2+]C1 ZINC000904303668 635555609 /nfs/dbraw/zinc/55/56/09/635555609.db2.gz CDBQOVPKXGCXHB-MRXNPFEDSA-N 2 1 276.380 2.237 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@]1(C)CCC[NH2+]C1 ZINC000904303668 635555611 /nfs/dbraw/zinc/55/56/11/635555611.db2.gz CDBQOVPKXGCXHB-MRXNPFEDSA-N 2 1 276.380 2.237 20 0 CEADMP C[N@H+](Cc1nc2ccccc2s1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904305129 635557295 /nfs/dbraw/zinc/55/72/95/635557295.db2.gz FHGRWRAECMNQHN-PHIMTYICSA-N 2 1 261.394 2.465 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000904326659 635571550 /nfs/dbraw/zinc/57/15/50/635571550.db2.gz PQIZTKCZYGMAJE-ZFWWWQNUSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000904326659 635571555 /nfs/dbraw/zinc/57/15/55/635571555.db2.gz PQIZTKCZYGMAJE-ZFWWWQNUSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@]1(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC[NH2+]C1 ZINC000904328160 635573840 /nfs/dbraw/zinc/57/38/40/635573840.db2.gz MDOUEKQDQPVBNF-SZMVWBNQSA-N 2 1 291.483 2.325 20 0 CEADMP C[C@]1(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CCC[NH2+]C1 ZINC000904328160 635573841 /nfs/dbraw/zinc/57/38/41/635573841.db2.gz MDOUEKQDQPVBNF-SZMVWBNQSA-N 2 1 291.483 2.325 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CCC[NH2+]C1 ZINC000904328160 635573843 /nfs/dbraw/zinc/57/38/43/635573843.db2.gz MDOUEKQDQPVBNF-SZMVWBNQSA-N 2 1 291.483 2.325 20 0 CEADMP Cc1cccc(C[NH2+]C[C@H](C)C[NH3+])c1Br ZINC000904354403 635586989 /nfs/dbraw/zinc/58/69/89/635586989.db2.gz XIAVEUYTTAGLBK-SECBINFHSA-N 2 1 271.202 2.442 20 0 CEADMP CN(C[C@H]([NH3+])CCC(C)(C)C)C[C@@H]1CCC[N@H+]1C ZINC000904372719 635593887 /nfs/dbraw/zinc/59/38/87/635593887.db2.gz HRYBGWLFIDIEAM-KGLIPLIRSA-N 2 1 255.450 2.166 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000904377260 635602079 /nfs/dbraw/zinc/60/20/79/635602079.db2.gz MBIDCGCFXDIDJX-CWRNSKLLSA-N 2 1 268.445 2.498 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000904377260 635602082 /nfs/dbraw/zinc/60/20/82/635602082.db2.gz MBIDCGCFXDIDJX-CWRNSKLLSA-N 2 1 268.445 2.498 20 0 CEADMP C[C@H]([NH2+]C[C@@H](N)CCC(C)(C)C)C1CC[NH2+]CC1 ZINC000904383962 635605747 /nfs/dbraw/zinc/60/57/47/635605747.db2.gz FHEYYVUELKKFPE-JSGCOSHPSA-N 2 1 255.450 2.118 20 0 CEADMP CC(C)OC(=O)C1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904386210 635608797 /nfs/dbraw/zinc/60/87/97/635608797.db2.gz SFTIWRBRUDKFOO-MRXNPFEDSA-N 2 1 282.428 2.040 20 0 CEADMP COc1cc2c(c(C[N@H+]3CC[C@H](CC[NH3+])C3)c1)O[C@H](C)C2 ZINC000904405186 635612004 /nfs/dbraw/zinc/61/20/04/635612004.db2.gz GTUKPICBKZZQMF-OLZOCXBDSA-N 2 1 290.407 2.189 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000904405624 635612713 /nfs/dbraw/zinc/61/27/13/635612713.db2.gz LLLJEKBBEGSATC-GFCCVEGCSA-N 2 1 288.370 2.387 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000904409666 635615147 /nfs/dbraw/zinc/61/51/47/635615147.db2.gz FUQKRTFMEOXFHU-LBPRGKRZSA-N 2 1 282.457 2.160 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(C)n1 ZINC000904412531 635620181 /nfs/dbraw/zinc/62/01/81/635620181.db2.gz VSPAEFQOYJBKIV-OCCSQVGLSA-N 2 1 277.412 2.124 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nc3c(s2)CCC3)CC[C@@H]1C[NH3+] ZINC000904412817 635620560 /nfs/dbraw/zinc/62/05/60/635620560.db2.gz ZOGLMYXSSMECEL-WDEREUQCSA-N 2 1 265.426 2.049 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420105 635631215 /nfs/dbraw/zinc/63/12/15/635631215.db2.gz BHTAEAGLXWKQEV-LSDHHAIUSA-N 2 1 290.455 2.296 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420105 635631221 /nfs/dbraw/zinc/63/12/21/635631221.db2.gz BHTAEAGLXWKQEV-LSDHHAIUSA-N 2 1 290.455 2.296 20 0 CEADMP CCOc1ccc(C[NH2+]CC2([NH3+])CC2)cc1OCC ZINC000904449261 635640406 /nfs/dbraw/zinc/64/04/06/635640406.db2.gz HDLZDHAXZKRDIB-UHFFFAOYSA-N 2 1 264.369 2.065 20 0 CEADMP c1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000904475704 635649744 /nfs/dbraw/zinc/64/97/44/635649744.db2.gz PSMHUPQKCGNQSY-SJLPKXTDSA-N 2 1 295.386 2.427 20 0 CEADMP CC[C@](O)(C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C(F)(F)F ZINC000905073349 635812061 /nfs/dbraw/zinc/81/20/61/635812061.db2.gz WLDJDLQQVKYXII-STQMWFEESA-N 2 1 296.377 2.400 20 0 CEADMP Cc1cccc([C@@H](O)C[NH2+][C@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000905205551 635879690 /nfs/dbraw/zinc/87/96/90/635879690.db2.gz WNDIOTYHFZUPOC-PBHICJAKSA-N 2 1 274.408 2.268 20 0 CEADMP CC[C@@](O)(C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)C(F)(F)F ZINC000905284248 636209032 /nfs/dbraw/zinc/20/90/32/636209032.db2.gz ACZPHVUHMOBPGK-VXGBXAGGSA-N 2 1 282.350 2.011 20 0 CEADMP Cc1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(C)o1 ZINC000827855440 636443614 /nfs/dbraw/zinc/44/36/14/636443614.db2.gz DAVMBFWJOBBFIE-MRXNPFEDSA-N 2 1 280.412 2.439 20 0 CEADMP Cc1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(C)o1 ZINC000827855440 636443618 /nfs/dbraw/zinc/44/36/18/636443618.db2.gz DAVMBFWJOBBFIE-MRXNPFEDSA-N 2 1 280.412 2.439 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](CC)C[NH+]2CCCC2)C1 ZINC000906714748 636828727 /nfs/dbraw/zinc/82/87/27/636828727.db2.gz LQEDYOIZXVNEFJ-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1C ZINC000906789881 636853022 /nfs/dbraw/zinc/85/30/22/636853022.db2.gz HSJVAOSKZOGAKE-CABCVRRESA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000906794950 636856336 /nfs/dbraw/zinc/85/63/36/636856336.db2.gz XWFGUZBUCFBRIF-PMPSAXMXSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000906794950 636856341 /nfs/dbraw/zinc/85/63/41/636856341.db2.gz XWFGUZBUCFBRIF-PMPSAXMXSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000906794950 636856347 /nfs/dbraw/zinc/85/63/47/636856347.db2.gz XWFGUZBUCFBRIF-PMPSAXMXSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000906916319 636895761 /nfs/dbraw/zinc/89/57/61/636895761.db2.gz XIUNSNZOAQUTIB-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCCCCC[NH3+] ZINC000831132648 637234964 /nfs/dbraw/zinc/23/49/64/637234964.db2.gz FVTISOIUQVNZNJ-HNNXBMFYSA-N 2 1 298.475 2.069 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[NH+](CC)C[C@H]2C)C1 ZINC000910269726 637964307 /nfs/dbraw/zinc/96/43/07/637964307.db2.gz DFISVFZPYMKAKV-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@H+](CC)C[C@H]2C)C1 ZINC000910269726 637964312 /nfs/dbraw/zinc/96/43/12/637964312.db2.gz DFISVFZPYMKAKV-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@@H+](CC)C[C@H]2C)C1 ZINC000910269726 637964316 /nfs/dbraw/zinc/96/43/16/637964316.db2.gz DFISVFZPYMKAKV-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C)C1CCCCC1 ZINC000876723493 650410463 /nfs/dbraw/zinc/41/04/63/650410463.db2.gz CCOZXFRNGWYHOE-HUUCEWRRSA-N 2 1 295.471 2.131 20 0 CEADMP CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)[C@H]1CC[N@@H+](C)C1 ZINC000911511866 638310835 /nfs/dbraw/zinc/31/08/35/638310835.db2.gz LVNPPQLJJVLANU-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)[C@H]1CC[NH+](C)C1 ZINC000911511866 638310841 /nfs/dbraw/zinc/31/08/41/638310841.db2.gz LVNPPQLJJVLANU-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)[C@H]1CC[NH+](C)C1 ZINC000911511866 638310848 /nfs/dbraw/zinc/31/08/48/638310848.db2.gz LVNPPQLJJVLANU-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C2(C[NH3+])CCCC2)cn1 ZINC000164761456 639395000 /nfs/dbraw/zinc/39/50/00/639395000.db2.gz ZUGFPQYRYRWKLF-UHFFFAOYSA-N 2 1 299.378 2.033 20 0 CEADMP C1C[C@@H]2SCCS[C@H]2[C@@H]1[NH2+][C@H]1CCCC[NH2+]C1 ZINC000841091394 639654845 /nfs/dbraw/zinc/65/48/45/639654845.db2.gz WUJPMDZKQQLJBF-RNJOBUHISA-N 2 1 272.483 2.098 20 0 CEADMP CCCCCC[N@H+](C)Cc1nc(C[C@H](C)[NH2+]C)no1 ZINC000842632516 640127858 /nfs/dbraw/zinc/12/78/58/640127858.db2.gz ZUPSXLDHNUKKFT-LBPRGKRZSA-N 2 1 268.405 2.232 20 0 CEADMP CCCCCC[N@@H+](C)Cc1nc(C[C@H](C)[NH2+]C)no1 ZINC000842632516 640127862 /nfs/dbraw/zinc/12/78/62/640127862.db2.gz ZUPSXLDHNUKKFT-LBPRGKRZSA-N 2 1 268.405 2.232 20 0 CEADMP C[N@H+](Cc1cncc2ccccc21)C1CC[NH2+]CC1 ZINC000843046379 640250631 /nfs/dbraw/zinc/25/06/31/640250631.db2.gz SSNHUEIGVWIGPP-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP C[N@@H+](Cc1cncc2ccccc21)C1CC[NH2+]CC1 ZINC000843046379 640250634 /nfs/dbraw/zinc/25/06/34/640250634.db2.gz SSNHUEIGVWIGPP-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP CC[C@H]1C[C@@H](C[N@@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000843055623 640258726 /nfs/dbraw/zinc/25/87/26/640258726.db2.gz IMIJOFJYLATWIH-PPWQZUPISA-N 2 1 254.418 2.393 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@H]21 ZINC000843059178 640261037 /nfs/dbraw/zinc/26/10/37/640261037.db2.gz FLSOLRLSYYTTCG-KBRIMQKVSA-N 2 1 272.392 2.276 20 0 CEADMP CCc1ncc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000929803816 640288092 /nfs/dbraw/zinc/28/80/92/640288092.db2.gz OBPFBKNQPWDFLY-UHFFFAOYSA-N 2 1 260.341 2.340 20 0 CEADMP C[C@@H](C[NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000843126425 640293328 /nfs/dbraw/zinc/29/33/28/640293328.db2.gz QYFZCGQGISIAEF-JQWIXIFHSA-N 2 1 254.324 2.410 20 0 CEADMP CCc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000843127239 640294300 /nfs/dbraw/zinc/29/43/00/640294300.db2.gz CZGALGVPGHDHLK-UHFFFAOYSA-N 2 1 292.814 2.384 20 0 CEADMP Cc1ccc2c(C[N@H+](C)CCC[NH3+])cc(=O)oc2c1C ZINC000843351492 640399229 /nfs/dbraw/zinc/39/92/29/640399229.db2.gz XUVCYBQEBRGYLA-UHFFFAOYSA-N 2 1 274.364 2.190 20 0 CEADMP Cc1ccc2c(C[N@@H+](C)CCC[NH3+])cc(=O)oc2c1C ZINC000843351492 640399230 /nfs/dbraw/zinc/39/92/30/640399230.db2.gz XUVCYBQEBRGYLA-UHFFFAOYSA-N 2 1 274.364 2.190 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843387314 640413107 /nfs/dbraw/zinc/41/31/07/640413107.db2.gz GHLLQMJUIBGQMM-GJZGRUSLSA-N 2 1 282.428 2.041 20 0 CEADMP COC[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C(C)C ZINC000929849305 640470482 /nfs/dbraw/zinc/47/04/82/640470482.db2.gz XEONQTLMCHTUOO-JYJNAYRXSA-N 2 1 268.445 2.321 20 0 CEADMP COC[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C(C)C ZINC000929849305 640470483 /nfs/dbraw/zinc/47/04/83/640470483.db2.gz XEONQTLMCHTUOO-JYJNAYRXSA-N 2 1 268.445 2.321 20 0 CEADMP COC[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C(C)C ZINC000929849305 640470484 /nfs/dbraw/zinc/47/04/84/640470484.db2.gz XEONQTLMCHTUOO-JYJNAYRXSA-N 2 1 268.445 2.321 20 0 CEADMP COC[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C(C)C ZINC000929849307 640470637 /nfs/dbraw/zinc/47/06/37/640470637.db2.gz XEONQTLMCHTUOO-PMPSAXMXSA-N 2 1 268.445 2.321 20 0 CEADMP COC[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C(C)C ZINC000929849307 640470638 /nfs/dbraw/zinc/47/06/38/640470638.db2.gz XEONQTLMCHTUOO-PMPSAXMXSA-N 2 1 268.445 2.321 20 0 CEADMP COC[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C(C)C ZINC000929849307 640470639 /nfs/dbraw/zinc/47/06/39/640470639.db2.gz XEONQTLMCHTUOO-PMPSAXMXSA-N 2 1 268.445 2.321 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000844163282 640621284 /nfs/dbraw/zinc/62/12/84/640621284.db2.gz ZLQGHFRWESAGNU-HUUCEWRRSA-N 2 1 283.460 2.227 20 0 CEADMP C[N@@H+](CCCCCCC[NH3+])[C@@H]1CCN(C2CC2)C1 ZINC000844222147 640636081 /nfs/dbraw/zinc/63/60/81/640636081.db2.gz XJSJSTUEEKBNJK-OAHLLOKOSA-N 2 1 253.434 2.064 20 0 CEADMP Cn1nccc1[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000844221577 640636293 /nfs/dbraw/zinc/63/62/93/640636293.db2.gz GRENUWFUIHPFPI-MRXNPFEDSA-N 2 1 290.455 2.379 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000153766738 640640881 /nfs/dbraw/zinc/64/08/81/640640881.db2.gz MWLQNWJLXPAGQK-LBPRGKRZSA-N 2 1 285.819 2.354 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000153766738 640640882 /nfs/dbraw/zinc/64/08/82/640640882.db2.gz MWLQNWJLXPAGQK-LBPRGKRZSA-N 2 1 285.819 2.354 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)[C@@H]1CC[NH3+] ZINC000844901660 640860008 /nfs/dbraw/zinc/86/00/08/640860008.db2.gz JWFSPFSLONDJLQ-GDBMZVCRSA-N 2 1 299.422 2.217 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@](C)(O)c1ccccc1 ZINC000846190207 641217531 /nfs/dbraw/zinc/21/75/31/641217531.db2.gz TYAAXAZBQDSYCG-SRABZTEZSA-N 2 1 276.424 2.355 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@](C)(O)c1ccccc1 ZINC000846190207 641217540 /nfs/dbraw/zinc/21/75/40/641217540.db2.gz TYAAXAZBQDSYCG-SRABZTEZSA-N 2 1 276.424 2.355 20 0 CEADMP CCC(CC)(C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1)SC ZINC000232943701 641223365 /nfs/dbraw/zinc/22/33/65/641223365.db2.gz QQBCXWCHWDLUJI-OLZOCXBDSA-N 2 1 274.474 2.265 20 0 CEADMP COc1ccc([C@@H](CO)[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000846218673 641227010 /nfs/dbraw/zinc/22/70/10/641227010.db2.gz VTYBLNXENGPVTR-MRXNPFEDSA-N 2 1 280.412 2.180 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000846222557 641231191 /nfs/dbraw/zinc/23/11/91/641231191.db2.gz GJVBCMCUAVIFJP-LSDHHAIUSA-N 2 1 254.418 2.397 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000846221810 641231542 /nfs/dbraw/zinc/23/15/42/641231542.db2.gz PKFUWHJJLIKUGZ-GFCCVEGCSA-N 2 1 296.440 2.065 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000846221810 641231548 /nfs/dbraw/zinc/23/15/48/641231548.db2.gz PKFUWHJJLIKUGZ-GFCCVEGCSA-N 2 1 296.440 2.065 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000846224349 641233464 /nfs/dbraw/zinc/23/34/64/641233464.db2.gz VCJGAMQRKZRTAQ-MRXNPFEDSA-N 2 1 295.471 2.276 20 0 CEADMP CCOC(C[N@H+](CC)CC[C@H]1CCC[NH+]1C)OCC ZINC000846973757 641503800 /nfs/dbraw/zinc/50/38/00/641503800.db2.gz HMVRBAKKJXQUMW-CQSZACIVSA-N 2 1 272.433 2.192 20 0 CEADMP CCOC(C[N@@H+](CC)CC[C@H]1CCC[NH+]1C)OCC ZINC000846973757 641503807 /nfs/dbraw/zinc/50/38/07/641503807.db2.gz HMVRBAKKJXQUMW-CQSZACIVSA-N 2 1 272.433 2.192 20 0 CEADMP CCOC(C[NH+](CC)CC[C@H]1CCC[N@@H+]1C)OCC ZINC000846973757 641503813 /nfs/dbraw/zinc/50/38/13/641503813.db2.gz HMVRBAKKJXQUMW-CQSZACIVSA-N 2 1 272.433 2.192 20 0 CEADMP CCOC(C[NH+](CC)CC[C@H]1CCC[N@H+]1C)OCC ZINC000846973757 641503817 /nfs/dbraw/zinc/50/38/17/641503817.db2.gz HMVRBAKKJXQUMW-CQSZACIVSA-N 2 1 272.433 2.192 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC000846972849 641504184 /nfs/dbraw/zinc/50/41/84/641504184.db2.gz OHYNHLYGTRQVAW-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CC[NH+](CC)CCCC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000182793248 641694966 /nfs/dbraw/zinc/69/49/66/641694966.db2.gz BGNPHQFNSIEVTD-HNNXBMFYSA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)[C@H](C(=O)OCC[C@@H]1CC[N@@H+](C)C1)[NH+]1CCCCC1 ZINC000847821442 641790792 /nfs/dbraw/zinc/79/07/92/641790792.db2.gz GIXXSIUGDODPFQ-JKSUJKDBSA-N 2 1 296.455 2.382 20 0 CEADMP CSCC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848529911 642035902 /nfs/dbraw/zinc/03/59/02/642035902.db2.gz ZZEHIRPWNADDCU-DZGCQCFKSA-N 2 1 286.485 2.361 20 0 CEADMP CC(C)c1ccccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000848544340 642044367 /nfs/dbraw/zinc/04/43/67/642044367.db2.gz QDKPPLOLCIKMJC-MRXNPFEDSA-N 2 1 264.413 2.212 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000921525148 642192557 /nfs/dbraw/zinc/19/25/57/642192557.db2.gz VMVNFEBHTHQMGX-CQSZACIVSA-N 2 1 292.423 2.068 20 0 CEADMP Cc1ccc(CNC(=[NH2+])NC[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000849001731 642220016 /nfs/dbraw/zinc/22/00/16/642220016.db2.gz VRSJQUVIDRCCAL-ZDUSSCGKSA-N 2 1 274.412 2.092 20 0 CEADMP CCCCCCNC(=[NH2+])NC[C@]1([NH+](C)C)CCSC1 ZINC000849003708 642221397 /nfs/dbraw/zinc/22/13/97/642221397.db2.gz ATABWGALUBRTKN-CQSZACIVSA-N 2 1 286.489 2.118 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=[NH2+])N1CCCCC1 ZINC000849023885 642237676 /nfs/dbraw/zinc/23/76/76/642237676.db2.gz JLNZVKKRIIMYBG-CYBMUJFWSA-N 2 1 266.433 2.117 20 0 CEADMP CC(C)CCNC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000849039117 642250488 /nfs/dbraw/zinc/25/04/88/642250488.db2.gz JCHVUJRFALMKCS-UHFFFAOYSA-N 2 1 254.422 2.021 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921617839 642264628 /nfs/dbraw/zinc/26/46/28/642264628.db2.gz GDOGYMQAKXLJER-GFCCVEGCSA-N 2 1 250.390 2.038 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000921618660 642271579 /nfs/dbraw/zinc/27/15/79/642271579.db2.gz JZELUOQDFYWWCN-VCCANDMLSA-N 2 1 278.440 2.120 20 0 CEADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](CC)CC1 ZINC000998105639 642367262 /nfs/dbraw/zinc/36/72/62/642367262.db2.gz ZVKHISJBFYTWNK-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](CC)CC1 ZINC000998105639 642367263 /nfs/dbraw/zinc/36/72/63/642367263.db2.gz ZVKHISJBFYTWNK-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](CC)CC1 ZINC000998105639 642367265 /nfs/dbraw/zinc/36/72/65/642367265.db2.gz ZVKHISJBFYTWNK-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000998198911 642372795 /nfs/dbraw/zinc/37/27/95/642372795.db2.gz OLWDELHJLQYDIO-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](C(C)C)CC1 ZINC000998198911 642372799 /nfs/dbraw/zinc/37/27/99/642372799.db2.gz OLWDELHJLQYDIO-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](C(C)C)CC1 ZINC000998198911 642372801 /nfs/dbraw/zinc/37/28/01/642372801.db2.gz OLWDELHJLQYDIO-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999974552 642523978 /nfs/dbraw/zinc/52/39/78/642523978.db2.gz PEHHFNQRBPNRQR-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000372753 642595255 /nfs/dbraw/zinc/59/52/55/642595255.db2.gz NSQVPFZYQGATEA-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)C[C@H]1CC1(Cl)Cl ZINC000877532320 650771898 /nfs/dbraw/zinc/77/18/98/650771898.db2.gz VDAQHEZDHBJPFD-GMTAPVOTSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)C[C@H]1CC1(Cl)Cl ZINC000877532320 650771901 /nfs/dbraw/zinc/77/19/01/650771901.db2.gz VDAQHEZDHBJPFD-GMTAPVOTSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C[C@H]1CC1(Cl)Cl ZINC000877532320 650771904 /nfs/dbraw/zinc/77/19/04/650771904.db2.gz VDAQHEZDHBJPFD-GMTAPVOTSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C[C@H]1CC1(Cl)Cl ZINC000877532320 650771912 /nfs/dbraw/zinc/77/19/12/650771912.db2.gz VDAQHEZDHBJPFD-GMTAPVOTSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C[C@H]1CC1(Cl)Cl ZINC000877532320 650771916 /nfs/dbraw/zinc/77/19/16/650771916.db2.gz VDAQHEZDHBJPFD-GMTAPVOTSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C[C@H]1CC1(Cl)Cl ZINC000877532320 650771923 /nfs/dbraw/zinc/77/19/23/650771923.db2.gz VDAQHEZDHBJPFD-GMTAPVOTSA-N 2 1 265.228 2.452 20 0 CEADMP Cc1ccncc1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000850356694 642681305 /nfs/dbraw/zinc/68/13/05/642681305.db2.gz ZRLIFTHDQGWBBP-UHFFFAOYSA-N 2 1 290.436 2.240 20 0 CEADMP FC1(F)[C@@H]2CCCO[C@@]21C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000850379563 642690692 /nfs/dbraw/zinc/69/06/92/642690692.db2.gz BJTBEDVDANNZSR-DGAVXFQQSA-N 2 1 286.366 2.017 20 0 CEADMP FC1(F)[C@@H]2CCCO[C@@]21C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000850379563 642690696 /nfs/dbraw/zinc/69/06/96/642690696.db2.gz BJTBEDVDANNZSR-DGAVXFQQSA-N 2 1 286.366 2.017 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@]2(C)CC2(F)F)s1 ZINC000850379367 642690965 /nfs/dbraw/zinc/69/09/65/642690965.db2.gz MVGXVOBKVBBJQN-LLVKDONJSA-N 2 1 275.368 2.340 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)s1 ZINC000850393754 642698896 /nfs/dbraw/zinc/69/88/96/642698896.db2.gz VWXFGGXXKRBLLQ-PTEHBNRSSA-N 2 1 251.399 2.093 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000850396159 642700158 /nfs/dbraw/zinc/70/01/58/642700158.db2.gz HJETWUJJRURFLQ-USXIJHARSA-N 2 1 296.455 2.035 20 0 CEADMP Cn1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(C2CCCC2)n1 ZINC000921968300 642814582 /nfs/dbraw/zinc/81/45/82/642814582.db2.gz KQIFHZIQFTYBON-UHFFFAOYSA-N 2 1 288.439 2.429 20 0 CEADMP CC[C@@H](C)C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003628461 642962579 /nfs/dbraw/zinc/96/25/79/642962579.db2.gz QCJVKAHMBDIFTI-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC1(C)OC[C@@H](CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000851778319 643156985 /nfs/dbraw/zinc/15/69/85/643156985.db2.gz GSRKNNYBGFVHJP-JKSUJKDBSA-N 2 1 296.455 2.478 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)C[NH+](C)C ZINC000922754932 643245550 /nfs/dbraw/zinc/24/55/50/643245550.db2.gz VWBWUHJVHYASEU-MCIONIFRSA-N 2 1 256.434 2.367 20 0 CEADMP CO[C@@H]1CC[C@H]([N@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000852009136 643264742 /nfs/dbraw/zinc/26/47/42/643264742.db2.gz ZPUJZHITEKQNER-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@]2(C)CCCCO2)CC1(C)C ZINC000922818416 643281906 /nfs/dbraw/zinc/28/19/06/643281906.db2.gz ROOKIVLSNCMRPJ-UKRRQHHQSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC)CC1)[NH+](C)C ZINC001004475941 643311239 /nfs/dbraw/zinc/31/12/39/643311239.db2.gz VTHLXMFWIGYSLE-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCCCCCCC1)C1CC1 ZINC000321713314 643357309 /nfs/dbraw/zinc/35/73/09/643357309.db2.gz DNKZOFNFOOUMTI-OAHLLOKOSA-N 2 1 254.418 2.098 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCCCCCC1)C1CC1 ZINC000321713314 643357319 /nfs/dbraw/zinc/35/73/19/643357319.db2.gz DNKZOFNFOOUMTI-OAHLLOKOSA-N 2 1 254.418 2.098 20 0 CEADMP CC(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001005586986 643422268 /nfs/dbraw/zinc/42/22/68/643422268.db2.gz BEMHDTHEWKBVKH-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP C[NH+](C)C[C@@H]1CN(C[C@H]2CC=CCC2)C[C@H]1C[NH+](C)C ZINC000877669725 650842244 /nfs/dbraw/zinc/84/22/44/650842244.db2.gz WPLIKANFHSLKHN-GVDBMIGSSA-N 2 1 279.472 2.014 20 0 CEADMP CO[C@H](C[N@@H+](C)C1CCC([NH3+])CC1)C1CCCC1 ZINC000852741339 643527085 /nfs/dbraw/zinc/52/70/85/643527085.db2.gz QZFULFWILTXBCT-YMAMQOFZSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC1SCCS1 ZINC000853023196 643624283 /nfs/dbraw/zinc/62/42/83/643624283.db2.gz PMEGTKJQGGNRPJ-GHMZBOCLSA-N 2 1 260.472 2.384 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC1SCCS1 ZINC000853023196 643624287 /nfs/dbraw/zinc/62/42/87/643624287.db2.gz PMEGTKJQGGNRPJ-GHMZBOCLSA-N 2 1 260.472 2.384 20 0 CEADMP C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923297636 643648001 /nfs/dbraw/zinc/64/80/01/643648001.db2.gz MQQJEGONDXBGIQ-AWEZNQCLSA-N 2 1 280.799 2.150 20 0 CEADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+](C1CC1)C1CCCCC1 ZINC000923304549 643652210 /nfs/dbraw/zinc/65/22/10/643652210.db2.gz YFSHEMCKYNSTKE-OAHLLOKOSA-N 2 1 264.413 2.162 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923313322 643653505 /nfs/dbraw/zinc/65/35/05/643653505.db2.gz FDKOYOPZEPOKFF-SJORKVTESA-N 2 1 288.435 2.318 20 0 CEADMP C[N@@H+](CCc1cccc2ccccc21)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923308583 643657421 /nfs/dbraw/zinc/65/74/21/643657421.db2.gz FJKUZSXJFIWMBG-SZMVWBNQSA-N 2 1 284.403 2.165 20 0 CEADMP c1csc([C@@H]2CCCC[N@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923323190 643662641 /nfs/dbraw/zinc/66/26/41/643662641.db2.gz FLMSUFSPSZIXAO-OLZOCXBDSA-N 2 1 293.436 2.049 20 0 CEADMP c1csc([C@@H]2CCCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923323190 643662645 /nfs/dbraw/zinc/66/26/45/643662645.db2.gz FLMSUFSPSZIXAO-OLZOCXBDSA-N 2 1 293.436 2.049 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)CC[C@H]1[NH3+] ZINC000923345398 643676007 /nfs/dbraw/zinc/67/60/07/643676007.db2.gz KIXFSSLHCZUGHV-VCTAVGKDSA-N 2 1 284.350 2.057 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)CC[C@H]1[NH3+] ZINC000923345398 643676010 /nfs/dbraw/zinc/67/60/10/643676010.db2.gz KIXFSSLHCZUGHV-VCTAVGKDSA-N 2 1 284.350 2.057 20 0 CEADMP O[C@H](Cc1ccccc1)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000923365392 643680812 /nfs/dbraw/zinc/68/08/12/643680812.db2.gz SOSSZQOFIDABJA-FGTMMUONSA-N 2 1 288.435 2.197 20 0 CEADMP O[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000923365392 643680814 /nfs/dbraw/zinc/68/08/14/643680814.db2.gz SOSSZQOFIDABJA-FGTMMUONSA-N 2 1 288.435 2.197 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366910 643682223 /nfs/dbraw/zinc/68/22/23/643682223.db2.gz PVRXDFKTSYEERW-HOTGVXAUSA-N 2 1 268.445 2.393 20 0 CEADMP CCC[C@@](C)([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)OC ZINC000923375800 643684954 /nfs/dbraw/zinc/68/49/54/643684954.db2.gz FIWOGJBSEFGYSA-NQKGRLOXSA-N 2 1 282.428 2.229 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923376791 643686278 /nfs/dbraw/zinc/68/62/78/643686278.db2.gz OXSFFRIGLLLKOO-MRXNPFEDSA-N 2 1 282.428 2.040 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C1CCCCC1 ZINC000923372833 643689453 /nfs/dbraw/zinc/68/94/53/643689453.db2.gz KCKLLZWZOZLNJU-HZPDHXFCSA-N 2 1 280.387 2.356 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000923410471 643700868 /nfs/dbraw/zinc/70/08/68/643700868.db2.gz IEAMQCNQVXQLJE-JKSUJKDBSA-N 2 1 262.397 2.232 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000923410471 643700869 /nfs/dbraw/zinc/70/08/69/643700869.db2.gz IEAMQCNQVXQLJE-JKSUJKDBSA-N 2 1 262.397 2.232 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)sn1 ZINC000923413723 643702267 /nfs/dbraw/zinc/70/22/67/643702267.db2.gz HERKFGCXLZLPAZ-CQSZACIVSA-N 2 1 283.441 2.349 20 0 CEADMP COc1cc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)sn1 ZINC000923413723 643702269 /nfs/dbraw/zinc/70/22/69/643702269.db2.gz HERKFGCXLZLPAZ-CQSZACIVSA-N 2 1 283.441 2.349 20 0 CEADMP C(C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923428725 643707048 /nfs/dbraw/zinc/70/70/48/643707048.db2.gz QNZCRWBBXYMJQV-MUOSFQKXSA-N 2 1 278.440 2.408 20 0 CEADMP CC(C)c1cnc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)o1 ZINC000923452709 643721507 /nfs/dbraw/zinc/72/15/07/643721507.db2.gz WBYCDIWTWBEOHD-ZDUSSCGKSA-N 2 1 293.411 2.128 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000923481586 643731522 /nfs/dbraw/zinc/73/15/22/643731522.db2.gz RWGKGUCXKCYODZ-SNVBAGLBSA-N 2 1 299.777 2.088 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)CC[C@@H]1C[NH3+] ZINC000923496378 643733816 /nfs/dbraw/zinc/73/38/16/643733816.db2.gz BPGKMEAHAYXVCU-ZYHUDNBSSA-N 2 1 296.798 2.485 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccn(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000923496537 643734317 /nfs/dbraw/zinc/73/43/17/643734317.db2.gz JKEJCFBAMNJKBS-GJZGRUSLSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cncc(Cl)c2)CC[C@@H]1C[NH3+] ZINC000923490384 643735372 /nfs/dbraw/zinc/73/53/72/643735372.db2.gz NFAIVNYQUKLTDE-ZYHUDNBSSA-N 2 1 253.777 2.152 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923502380 643738777 /nfs/dbraw/zinc/73/87/77/643738777.db2.gz WSUSZQOHSOZSTG-GXTWGEPZSA-N 2 1 272.396 2.059 20 0 CEADMP COc1ccc(COCC[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923497278 643739528 /nfs/dbraw/zinc/73/95/28/643739528.db2.gz KVXBYCCEUSBXSC-GDBMZVCRSA-N 2 1 292.423 2.129 20 0 CEADMP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500998 643742476 /nfs/dbraw/zinc/74/24/76/643742476.db2.gz QLZPOLPBPLGAAF-FRRDWIJNSA-N 2 1 293.386 2.069 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1F ZINC000923504869 643743474 /nfs/dbraw/zinc/74/34/74/643743474.db2.gz VEPNDRYYYKGSAP-WCQYABFASA-N 2 1 266.360 2.251 20 0 CEADMP CCc1cccc(OCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923520186 643748208 /nfs/dbraw/zinc/74/82/08/643748208.db2.gz JPMKHXPTYLSRDX-JKSUJKDBSA-N 2 1 274.408 2.169 20 0 CEADMP C(C[N@H+]1CCC[C@@H](C2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000923548924 643757464 /nfs/dbraw/zinc/75/74/64/643757464.db2.gz CIJGCBJIIFWNOG-GDBMZVCRSA-N 2 1 266.429 2.125 20 0 CEADMP c1cc2c(cc1C[N@@H+]1CCOC[C@H]1CC1CC1)C[NH2+]CC2 ZINC000923556429 643763371 /nfs/dbraw/zinc/76/33/71/643763371.db2.gz XCCQOELBIYMRDA-GOSISDBHSA-N 2 1 286.419 2.333 20 0 CEADMP C[N@H+]1CCC[C@@H](CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000838143097 643859854 /nfs/dbraw/zinc/85/98/54/643859854.db2.gz RZJXQJLKPGVLQZ-INIZCTEOSA-N 2 1 295.471 2.101 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000838144952 643860824 /nfs/dbraw/zinc/86/08/24/643860824.db2.gz NADXCFCZIVFYPH-MRXNPFEDSA-N 2 1 297.487 2.347 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000838144952 643860826 /nfs/dbraw/zinc/86/08/26/643860826.db2.gz NADXCFCZIVFYPH-MRXNPFEDSA-N 2 1 297.487 2.347 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CC3(Cl)Cl)CC[C@H]21 ZINC000877740409 650883208 /nfs/dbraw/zinc/88/32/08/650883208.db2.gz RNACOKZEFWLWTM-GMTAPVOTSA-N 2 1 263.212 2.206 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CC3(Cl)Cl)CC[C@H]21 ZINC000877740409 650883213 /nfs/dbraw/zinc/88/32/13/650883213.db2.gz RNACOKZEFWLWTM-GMTAPVOTSA-N 2 1 263.212 2.206 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CC3(Cl)Cl)CC[C@H]21 ZINC000877740409 650883218 /nfs/dbraw/zinc/88/32/18/650883218.db2.gz RNACOKZEFWLWTM-GMTAPVOTSA-N 2 1 263.212 2.206 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CC3(Cl)Cl)CC[C@H]21 ZINC000877740409 650883222 /nfs/dbraw/zinc/88/32/22/650883222.db2.gz RNACOKZEFWLWTM-GMTAPVOTSA-N 2 1 263.212 2.206 20 0 CEADMP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc2c(c1)CCO2 ZINC000854226593 644016829 /nfs/dbraw/zinc/01/68/29/644016829.db2.gz IQIWCTOXZFVKNX-YAJUMTOWSA-N 2 1 272.392 2.414 20 0 CEADMP C[C@@H]([NH2+]CCC1SCCS1)c1c[nH+]ccc1N ZINC000854230052 644017717 /nfs/dbraw/zinc/01/77/17/644017717.db2.gz FJZOJILONKYJIT-SECBINFHSA-N 2 1 269.439 2.341 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4c[nH]nc4c3)CC[C@H]21 ZINC000877742906 650886888 /nfs/dbraw/zinc/88/68/88/650886888.db2.gz HBKVKRFSJQKKDI-GDBMZVCRSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4c[nH]nc4c3)CC[C@H]21 ZINC000877742906 650886889 /nfs/dbraw/zinc/88/68/89/650886889.db2.gz HBKVKRFSJQKKDI-GDBMZVCRSA-N 2 1 270.380 2.089 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)CC[C@H]21 ZINC000877742906 650886892 /nfs/dbraw/zinc/88/68/92/650886892.db2.gz HBKVKRFSJQKKDI-GDBMZVCRSA-N 2 1 270.380 2.089 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)CC[C@H]21 ZINC000877742906 650886893 /nfs/dbraw/zinc/88/68/93/650886893.db2.gz HBKVKRFSJQKKDI-GDBMZVCRSA-N 2 1 270.380 2.089 20 0 CEADMP Cc1ccc(CCC[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cn1 ZINC000877743811 650890177 /nfs/dbraw/zinc/89/01/77/650890177.db2.gz YLMFIHLSPYZRDU-IRXDYDNUSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cn1 ZINC000877743811 650890183 /nfs/dbraw/zinc/89/01/83/650890183.db2.gz YLMFIHLSPYZRDU-IRXDYDNUSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cn1 ZINC000877743811 650890188 /nfs/dbraw/zinc/89/01/88/650890188.db2.gz YLMFIHLSPYZRDU-IRXDYDNUSA-N 2 1 273.424 2.349 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000877744412 650890911 /nfs/dbraw/zinc/89/09/11/650890911.db2.gz SQWHZPAIUJRNPM-AEFFLSMTSA-N 2 1 296.418 2.398 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000877744412 650890913 /nfs/dbraw/zinc/89/09/13/650890913.db2.gz SQWHZPAIUJRNPM-AEFFLSMTSA-N 2 1 296.418 2.398 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000877744412 650890915 /nfs/dbraw/zinc/89/09/15/650890915.db2.gz SQWHZPAIUJRNPM-AEFFLSMTSA-N 2 1 296.418 2.398 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000877744412 650890921 /nfs/dbraw/zinc/89/09/21/650890921.db2.gz SQWHZPAIUJRNPM-AEFFLSMTSA-N 2 1 296.418 2.398 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877744754 650891870 /nfs/dbraw/zinc/89/18/70/650891870.db2.gz XQAVTAYMWJFUQB-WBVHZDCISA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877744754 650891872 /nfs/dbraw/zinc/89/18/72/650891872.db2.gz XQAVTAYMWJFUQB-WBVHZDCISA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1ccccc1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877744754 650891875 /nfs/dbraw/zinc/89/18/75/650891875.db2.gz XQAVTAYMWJFUQB-WBVHZDCISA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1ccccc1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877744754 650891879 /nfs/dbraw/zinc/89/18/79/650891879.db2.gz XQAVTAYMWJFUQB-WBVHZDCISA-N 2 1 273.424 2.279 20 0 CEADMP CCc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)o1 ZINC000877747547 650892725 /nfs/dbraw/zinc/89/27/25/650892725.db2.gz QHIZGMLKNYXUCB-UHFFFAOYSA-N 2 1 291.439 2.054 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000839129358 644167122 /nfs/dbraw/zinc/16/71/22/644167122.db2.gz LKXUDZSAEIAYOH-AGUYFDCRSA-N 2 1 282.428 2.181 20 0 CEADMP CCc1nn(C)c(Cl)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839179867 644181283 /nfs/dbraw/zinc/18/12/83/644181283.db2.gz ANJFTPLIDZHZRQ-GFCCVEGCSA-N 2 1 298.862 2.457 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000925488539 644186947 /nfs/dbraw/zinc/18/69/47/644186947.db2.gz KLGNNARQRDRYBQ-GJZGRUSLSA-N 2 1 267.461 2.371 20 0 CEADMP C/C=C(/C=C/C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC ZINC000855346172 644312413 /nfs/dbraw/zinc/31/24/13/644312413.db2.gz QESJXXYTHCHVOU-DGUAQHGASA-N 2 1 295.471 2.287 20 0 CEADMP C/C=C(/C=C/C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC ZINC000855346172 644312416 /nfs/dbraw/zinc/31/24/16/644312416.db2.gz QESJXXYTHCHVOU-DGUAQHGASA-N 2 1 295.471 2.287 20 0 CEADMP CC[N@@H+]1CCC[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925489881 644596886 /nfs/dbraw/zinc/59/68/86/644596886.db2.gz AUOZLNLOFVIASK-GVDBMIGSSA-N 2 1 279.472 2.229 20 0 CEADMP CC[N@H+]1CCC[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925489881 644596890 /nfs/dbraw/zinc/59/68/90/644596890.db2.gz AUOZLNLOFVIASK-GVDBMIGSSA-N 2 1 279.472 2.229 20 0 CEADMP Cn1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c(Cl)n1 ZINC000856765825 644714505 /nfs/dbraw/zinc/71/45/05/644714505.db2.gz PGCUCIWEFWFWDA-UHFFFAOYSA-N 2 1 292.814 2.425 20 0 CEADMP C[C@@H]1CN(CC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000839642448 644771289 /nfs/dbraw/zinc/77/12/89/644771289.db2.gz AKHGCTNJKZGLDJ-QGZVFWFLSA-N 2 1 287.451 2.289 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(Cl)n1 ZINC000857046020 644798620 /nfs/dbraw/zinc/79/86/20/644798620.db2.gz FETLGJIQKSRANE-ZDUSSCGKSA-N 2 1 296.846 2.237 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857854912 644981685 /nfs/dbraw/zinc/98/16/85/644981685.db2.gz MHABDGRHBFNHPE-AWEZNQCLSA-N 2 1 273.384 2.362 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857854316 644982079 /nfs/dbraw/zinc/98/20/79/644982079.db2.gz ZQJATJLWKWNSLM-SMDDNHRTSA-N 2 1 273.384 2.218 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCc2cn[nH]c21)C1CC1 ZINC000857868762 644988993 /nfs/dbraw/zinc/98/89/93/644988993.db2.gz BQBSNXDABWQKLF-CQSZACIVSA-N 2 1 262.401 2.251 20 0 CEADMP C[N@H+](CCCC[NH2+][C@@H]1CCCc2c[nH]nc21)C1CC1 ZINC000857868762 644988996 /nfs/dbraw/zinc/98/89/96/644988996.db2.gz BQBSNXDABWQKLF-CQSZACIVSA-N 2 1 262.401 2.251 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCc2c[nH]nc21)C1CC1 ZINC000857868762 644989000 /nfs/dbraw/zinc/98/90/00/644989000.db2.gz BQBSNXDABWQKLF-CQSZACIVSA-N 2 1 262.401 2.251 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000858144619 645074468 /nfs/dbraw/zinc/07/44/68/645074468.db2.gz RYRCJOFKAQZWHR-STQMWFEESA-N 2 1 266.385 2.084 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)o1 ZINC000858144619 645074470 /nfs/dbraw/zinc/07/44/70/645074470.db2.gz RYRCJOFKAQZWHR-STQMWFEESA-N 2 1 266.385 2.084 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(F)c2)[C@@H](C)C1 ZINC000858147681 645075010 /nfs/dbraw/zinc/07/50/10/645075010.db2.gz XKWGQRWQLMODMO-AAEUAGOBSA-N 2 1 251.349 2.041 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(F)c2)[C@@H](C)C1 ZINC000858147681 645075012 /nfs/dbraw/zinc/07/50/12/645075012.db2.gz XKWGQRWQLMODMO-AAEUAGOBSA-N 2 1 251.349 2.041 20 0 CEADMP C[C@@H](CNc1cc[nH+]c(CO)c1)[N@H+]1CCC[C@H](C)C1 ZINC000858350369 645128043 /nfs/dbraw/zinc/12/80/43/645128043.db2.gz TZUZNFNQOCGDNG-STQMWFEESA-N 2 1 263.385 2.106 20 0 CEADMP C[N@H+]1CC[C@@H](Nc2cc[nH+]c(CO)c2)[C@@H]1c1ccccc1 ZINC000858459783 645168422 /nfs/dbraw/zinc/16/84/22/645168422.db2.gz KQZKAJVLOLVLGN-SJORKVTESA-N 2 1 283.375 2.431 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@H]1CNc1cc[nH+]c(CO)c1 ZINC000858521698 645189688 /nfs/dbraw/zinc/18/96/88/645189688.db2.gz USHSEFCARSOBOC-CQSZACIVSA-N 2 1 263.385 2.106 20 0 CEADMP C([C@@H]1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1)[NH+]1CCCC1 ZINC000878126294 651007900 /nfs/dbraw/zinc/00/79/00/651007900.db2.gz WRMPTVTVEATNAN-HOTGVXAUSA-N 2 1 278.440 2.363 20 0 CEADMP CC1=CC[N@@H+](CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000762702996 645440019 /nfs/dbraw/zinc/44/00/19/645440019.db2.gz BKYXHBHUOIUBFJ-UHFFFAOYSA-N 2 1 293.455 2.021 20 0 CEADMP CC(C)[C@@H](O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000878135691 651011359 /nfs/dbraw/zinc/01/13/59/651011359.db2.gz XWXCSTHYAGZBOA-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000763030383 645492023 /nfs/dbraw/zinc/49/20/23/645492023.db2.gz QIPWFINHSKYFKW-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000878164826 651021250 /nfs/dbraw/zinc/02/12/50/651021250.db2.gz OXYSKCZAYQDYAY-MRXNPFEDSA-N 2 1 296.455 2.131 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000878164826 651021251 /nfs/dbraw/zinc/02/12/51/651021251.db2.gz OXYSKCZAYQDYAY-MRXNPFEDSA-N 2 1 296.455 2.131 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000878166852 651021619 /nfs/dbraw/zinc/02/16/19/651021619.db2.gz HQCMOZXEHFMLMU-YHUYYLMFSA-N 2 1 266.429 2.218 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000878166852 651021622 /nfs/dbraw/zinc/02/16/22/651021622.db2.gz HQCMOZXEHFMLMU-YHUYYLMFSA-N 2 1 266.429 2.218 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000878166852 651021624 /nfs/dbraw/zinc/02/16/24/651021624.db2.gz HQCMOZXEHFMLMU-YHUYYLMFSA-N 2 1 266.429 2.218 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000878166958 651022523 /nfs/dbraw/zinc/02/25/23/651022523.db2.gz KOJMDUDUTKUCLP-CABCVRRESA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000878166958 651022526 /nfs/dbraw/zinc/02/25/26/651022526.db2.gz KOJMDUDUTKUCLP-CABCVRRESA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000878166958 651022529 /nfs/dbraw/zinc/02/25/29/651022529.db2.gz KOJMDUDUTKUCLP-CABCVRRESA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCc3ccccc32)CC[N@H+]1C ZINC000765415548 645765795 /nfs/dbraw/zinc/76/57/95/645765795.db2.gz FUSGGAYDXFVVHI-ZBFHGGJFSA-N 2 1 273.424 2.121 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCN2CCc3ccccc32)CC[N@H+]1C ZINC000765415547 645766340 /nfs/dbraw/zinc/76/63/40/645766340.db2.gz FUSGGAYDXFVVHI-HOCLYGCPSA-N 2 1 273.424 2.121 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+](CC3CC4(CCC4)C3)CC2)C1 ZINC000878248155 651045139 /nfs/dbraw/zinc/04/51/39/651045139.db2.gz RBAVIVQDIAVIHT-KRWDZBQOSA-N 2 1 291.483 2.279 20 0 CEADMP CC(C)OC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000772977710 646692110 /nfs/dbraw/zinc/69/21/10/646692110.db2.gz LQEMYLKQZZMEBW-HIFRSBDPSA-N 2 1 297.443 2.068 20 0 CEADMP CC(C)OC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000772977710 646692112 /nfs/dbraw/zinc/69/21/12/646692112.db2.gz LQEMYLKQZZMEBW-HIFRSBDPSA-N 2 1 297.443 2.068 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCO1 ZINC000863650930 646777162 /nfs/dbraw/zinc/77/71/62/646777162.db2.gz FIGATEHIHWPAIX-FPCVCCKLSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H]([NH3+])CN(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000863653121 646778087 /nfs/dbraw/zinc/77/80/87/646778087.db2.gz CHAYMXJZTQNSHY-OAHLLOKOSA-N 2 1 277.456 2.424 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000774910811 646908386 /nfs/dbraw/zinc/90/83/86/646908386.db2.gz SKQLFELEFHWJJB-HOTGVXAUSA-N 2 1 282.428 2.112 20 0 CEADMP CC[C@H]1CCN(C(=[NH2+])NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000864455999 647010966 /nfs/dbraw/zinc/01/09/66/647010966.db2.gz DLEPUMACWPHPBS-LSDHHAIUSA-N 2 1 280.460 2.363 20 0 CEADMP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000864455993 647010971 /nfs/dbraw/zinc/01/09/71/647010971.db2.gz DLEPUMACWPHPBS-CABCVRRESA-N 2 1 280.460 2.363 20 0 CEADMP CCC(CC)NC(=[NH2+])NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000864465174 647019429 /nfs/dbraw/zinc/01/94/29/647019429.db2.gz QUVQVIRMGODSJP-CQSZACIVSA-N 2 1 266.433 2.306 20 0 CEADMP C[C@H](CSC(C)(C)C)[NH2+]CCc1c[nH+]cn1C ZINC000776265654 647044190 /nfs/dbraw/zinc/04/41/90/647044190.db2.gz OHCZOJPKJNEYFY-LLVKDONJSA-N 2 1 255.431 2.472 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865475081 647313185 /nfs/dbraw/zinc/31/31/85/647313185.db2.gz GYGGBIUXWALECH-UHFFFAOYSA-N 2 1 298.394 2.043 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865574761 647366911 /nfs/dbraw/zinc/36/69/11/647366911.db2.gz DAKHLAMECYCVTR-ODIFPOPNSA-N 2 1 297.487 2.391 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865574761 647366916 /nfs/dbraw/zinc/36/69/16/647366916.db2.gz DAKHLAMECYCVTR-ODIFPOPNSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@@H](NC(=O)CCCC[NH+]1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000781181911 647505351 /nfs/dbraw/zinc/50/53/51/647505351.db2.gz AAVSPYIKYRNMIK-OAHLLOKOSA-N 2 1 293.455 2.019 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782185511 647597129 /nfs/dbraw/zinc/59/71/29/647597129.db2.gz XZWWGUVFAKEKSB-OAHLLOKOSA-N 2 1 276.428 2.071 20 0 CEADMP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)CC1 ZINC000788487526 647659872 /nfs/dbraw/zinc/65/98/72/647659872.db2.gz IMAWXCKTKQFTCY-OAHLLOKOSA-N 2 1 280.437 2.463 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](c3ccsc3)C2)CC1 ZINC000788487526 647659878 /nfs/dbraw/zinc/65/98/78/647659878.db2.gz IMAWXCKTKQFTCY-OAHLLOKOSA-N 2 1 280.437 2.463 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCc2cccc3cccc1c32 ZINC000866263054 647702809 /nfs/dbraw/zinc/70/28/09/647702809.db2.gz LVKYSBGHSFGTMR-DOTOQJQBSA-N 2 1 284.403 2.339 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCc3cccc4cccc2c43)C1 ZINC000866340866 647745081 /nfs/dbraw/zinc/74/50/81/647745081.db2.gz UGQAIWDOFSZLLY-MJGOQNOKSA-N 2 1 296.414 2.483 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCc3cccc4cccc2c43)C1 ZINC000866340866 647745082 /nfs/dbraw/zinc/74/50/82/647745082.db2.gz UGQAIWDOFSZLLY-MJGOQNOKSA-N 2 1 296.414 2.483 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000866414027 647778550 /nfs/dbraw/zinc/77/85/50/647778550.db2.gz ZLLGDBJIRVYNMY-BFYDXBDKSA-N 2 1 276.424 2.115 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCC12CCOCC2 ZINC000866530787 647816807 /nfs/dbraw/zinc/81/68/07/647816807.db2.gz MNTHUSOQNYPMRI-AWEZNQCLSA-N 2 1 278.440 2.410 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CCCCCCO)CC2 ZINC000784250909 647823906 /nfs/dbraw/zinc/82/39/06/647823906.db2.gz ATEOKZTUKZMJFX-UHFFFAOYSA-N 2 1 254.418 2.099 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CCCCCCO)CC2 ZINC000784250909 647823909 /nfs/dbraw/zinc/82/39/09/647823909.db2.gz ATEOKZTUKZMJFX-UHFFFAOYSA-N 2 1 254.418 2.099 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2c3ccccc3CN2C)CC[N@H+]1C ZINC000866563538 647826297 /nfs/dbraw/zinc/82/62/97/647826297.db2.gz NEOMFYZRJYMEAT-KMFMINBZSA-N 2 1 273.424 2.245 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2cc3c([nH]c2=O)CCCC3)CC1 ZINC000866641545 647852735 /nfs/dbraw/zinc/85/27/35/647852735.db2.gz UVYRMCAPZLBIKA-UHFFFAOYSA-N 2 1 289.423 2.240 20 0 CEADMP CCOC(=O)c1ncc(C[N@@H+](C)C2CCC([NH3+])CC2)s1 ZINC000866661687 647859447 /nfs/dbraw/zinc/85/94/47/647859447.db2.gz SDFKIRWXKBCVTA-UHFFFAOYSA-N 2 1 297.424 2.022 20 0 CEADMP CC1(C)CC[C@@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)OC1 ZINC000866662507 647860072 /nfs/dbraw/zinc/86/00/72/647860072.db2.gz VQLFNSMEZFTGIS-HNNXBMFYSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000866666238 647861432 /nfs/dbraw/zinc/86/14/32/647861432.db2.gz NUYUVBFLAAVXHQ-YIYPIFLZSA-N 2 1 254.418 2.168 20 0 CEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866697063 647872532 /nfs/dbraw/zinc/87/25/32/647872532.db2.gz FCARTXXMYAQQJC-GOEBONIOSA-N 2 1 266.429 2.410 20 0 CEADMP COc1ccccc1[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000866703967 647875637 /nfs/dbraw/zinc/87/56/37/647875637.db2.gz QRJJHJYQTQNEGC-PBHICJAKSA-N 2 1 290.407 2.068 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000866709019 647877850 /nfs/dbraw/zinc/87/78/50/647877850.db2.gz USZJHCGXQVGGHJ-QGZVFWFLSA-N 3 1 281.488 2.463 20 0 CEADMP CC(C)(C)[C@@]1(CN)CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000866709019 647877854 /nfs/dbraw/zinc/87/78/54/647877854.db2.gz USZJHCGXQVGGHJ-QGZVFWFLSA-N 2 1 281.488 2.463 20 0 CEADMP CC(C)(C)[C@@]1(CN)CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000866709019 647877856 /nfs/dbraw/zinc/87/78/56/647877856.db2.gz USZJHCGXQVGGHJ-QGZVFWFLSA-N 2 1 281.488 2.463 20 0 CEADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCC[NH2+]C1 ZINC000866717345 647880260 /nfs/dbraw/zinc/88/02/60/647880260.db2.gz CCRXTXACYULFTR-QGZVFWFLSA-N 3 1 281.488 2.286 20 0 CEADMP CC[N@H+](CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(C)C ZINC000121620372 647906720 /nfs/dbraw/zinc/90/67/20/647906720.db2.gz QZSOZLFINWXXNK-KKUMJFAQSA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@@H+](CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(C)C ZINC000121620372 647906729 /nfs/dbraw/zinc/90/67/29/647906729.db2.gz QZSOZLFINWXXNK-KKUMJFAQSA-N 2 1 266.429 2.264 20 0 CEADMP C[NH+]1CCC(C[NH+]2CCN(CCC(C)(C)C)CC2)CC1 ZINC000788478311 648193155 /nfs/dbraw/zinc/19/31/55/648193155.db2.gz GBELCUJHDIYJFB-UHFFFAOYSA-N 2 1 281.488 2.382 20 0 CEADMP CN1CC[N@@H+](CC2CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC000788485438 648193999 /nfs/dbraw/zinc/19/39/99/648193999.db2.gz KPEKPLBVOKYMTA-SFHVURJKSA-N 2 1 287.451 2.317 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)n(C)n1 ZINC000793532641 648772446 /nfs/dbraw/zinc/77/24/46/648772446.db2.gz HVJOCMNUFDSZFI-CYBMUJFWSA-N 2 1 275.400 2.364 20 0 CEADMP Cc1cnc([C@H](C)O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000871786009 649185185 /nfs/dbraw/zinc/18/51/85/649185185.db2.gz QAGLKAGZPKAFBE-WODVXLOZSA-N 2 1 292.383 2.415 20 0 CEADMP Cc1cnc([C@H](C)O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000871786009 649185188 /nfs/dbraw/zinc/18/51/88/649185188.db2.gz QAGLKAGZPKAFBE-WODVXLOZSA-N 2 1 292.383 2.415 20 0 CEADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)C1CC1 ZINC000872025798 649244171 /nfs/dbraw/zinc/24/41/71/649244171.db2.gz TYFBWGOADSIXMF-GJZGRUSLSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)CCO1 ZINC000872028690 649245789 /nfs/dbraw/zinc/24/57/89/649245789.db2.gz SAFNATIKKFEKLY-HOCLYGCPSA-N 2 1 298.471 2.017 20 0 CEADMP COC[C@H](C)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872101889 649275830 /nfs/dbraw/zinc/27/58/30/649275830.db2.gz OVOBLVPWKLSDFP-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)COC)[C@H](C)C1 ZINC000872105480 649278319 /nfs/dbraw/zinc/27/83/19/649278319.db2.gz JBELQYULRFHFHN-ZIAGYGMSSA-N 2 1 256.434 2.369 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)COC)[C@H](C)C1 ZINC000872105478 649278772 /nfs/dbraw/zinc/27/87/72/649278772.db2.gz JBELQYULRFHFHN-KGLIPLIRSA-N 2 1 256.434 2.369 20 0 CEADMP C[N@@H+](C[C@H]1CC2(CCC2)CO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000872144126 649293827 /nfs/dbraw/zinc/29/38/27/649293827.db2.gz VFNZNNMHWJOGNB-IZGVIRRGSA-N 2 1 264.413 2.160 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1C ZINC000872144805 649294670 /nfs/dbraw/zinc/29/46/70/649294670.db2.gz JASSJHYKTNVUFQ-GXTWGEPZSA-N 2 1 276.380 2.093 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1C ZINC000872144805 649294671 /nfs/dbraw/zinc/29/46/71/649294671.db2.gz JASSJHYKTNVUFQ-GXTWGEPZSA-N 2 1 276.380 2.093 20 0 CEADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155760 649299496 /nfs/dbraw/zinc/29/94/96/649299496.db2.gz YUSZYGQFIBFGDF-HNNXBMFYSA-N 2 1 291.439 2.489 20 0 CEADMP COC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872155950 649299622 /nfs/dbraw/zinc/29/96/22/649299622.db2.gz BGROKDFNMBGYCH-YDHLFZDLSA-N 2 1 282.428 2.168 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1)OC ZINC000872158960 649300396 /nfs/dbraw/zinc/30/03/96/649300396.db2.gz ZMWIRXDQHKSBLZ-BHYGNILZSA-N 2 1 298.471 2.267 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000872254034 649329891 /nfs/dbraw/zinc/32/98/91/649329891.db2.gz POZPXVNGIVJSKK-VIFPVBQESA-N 2 1 290.333 2.296 20 0 CEADMP CC[C@]1(CO)CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873210689 649590505 /nfs/dbraw/zinc/59/05/05/649590505.db2.gz OMVGTBWZKUAAIR-INIZCTEOSA-N 2 1 294.464 2.378 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@H]1CC[NH3+] ZINC000873213711 649592560 /nfs/dbraw/zinc/59/25/60/649592560.db2.gz NLWAMZMXWGGIPN-WFASDCNBSA-N 3 1 293.480 2.343 20 0 CEADMP C[C@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)[C@H]1CC[NH3+] ZINC000873213711 649592561 /nfs/dbraw/zinc/59/25/61/649592561.db2.gz NLWAMZMXWGGIPN-WFASDCNBSA-N 2 1 293.480 2.343 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000873219908 649594719 /nfs/dbraw/zinc/59/47/19/649594719.db2.gz HGWMQVIZWHNUHN-OLMNPRSZSA-N 3 1 287.451 2.457 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)o1 ZINC000873224280 649598035 /nfs/dbraw/zinc/59/80/35/649598035.db2.gz ZKUSSTUTUNYCNF-INIZCTEOSA-N 2 1 294.395 2.263 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)o1 ZINC000873224280 649598036 /nfs/dbraw/zinc/59/80/36/649598036.db2.gz ZKUSSTUTUNYCNF-INIZCTEOSA-N 2 1 294.395 2.263 20 0 CEADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231818 649603386 /nfs/dbraw/zinc/60/33/86/649603386.db2.gz DRFLSBYRECHEQG-ZFWWWQNUSA-N 3 1 267.461 2.343 20 0 CEADMP CC(C)([NH3+])CN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231818 649603388 /nfs/dbraw/zinc/60/33/88/649603388.db2.gz DRFLSBYRECHEQG-ZFWWWQNUSA-N 2 1 267.461 2.343 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(C(F)(F)F)n[nH]1 ZINC000873231917 649603439 /nfs/dbraw/zinc/60/34/39/649603439.db2.gz YXDUOSDFMNPUQZ-UHFFFAOYSA-N 2 1 278.322 2.379 20 0 CEADMP Cc1ccc(CCC[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cn1 ZINC000873231662 649603475 /nfs/dbraw/zinc/60/34/75/649603475.db2.gz QOMAOBQSKFHYOW-HZPDHXFCSA-N 2 1 259.397 2.197 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC(C)(C)C[NH2+]2)[C@@H](C)C1 ZINC000873235307 649604119 /nfs/dbraw/zinc/60/41/19/649604119.db2.gz NLSVEKAKYNSQNH-KKUMJFAQSA-N 2 1 267.461 2.085 20 0 CEADMP CC1(C)CC[C@H](C[NH2+][C@H]2CCC23CCOCC3)[NH2+]C1 ZINC000873236758 649604767 /nfs/dbraw/zinc/60/47/67/649604767.db2.gz JNCWDQBPLAWFGG-KGLIPLIRSA-N 2 1 266.429 2.313 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873251801 649609890 /nfs/dbraw/zinc/60/98/90/649609890.db2.gz OGDRNSOZNMHZID-LEUOFYLZSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000873251801 649609893 /nfs/dbraw/zinc/60/98/93/649609893.db2.gz OGDRNSOZNMHZID-LEUOFYLZSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000873254551 649611861 /nfs/dbraw/zinc/61/18/61/649611861.db2.gz WQHYCPXHXKDQRC-BGTYHANMSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000873254551 649611864 /nfs/dbraw/zinc/61/18/64/649611864.db2.gz WQHYCPXHXKDQRC-BGTYHANMSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)[C@H]1CCC[NH2+]1 ZINC000873276346 649622058 /nfs/dbraw/zinc/62/20/58/649622058.db2.gz SMDYHLBQOZJAFQ-MJBXVCDLSA-N 2 1 252.402 2.208 20 0 CEADMP C[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1c[nH+]ccc1N ZINC000873282213 649624964 /nfs/dbraw/zinc/62/49/64/649624964.db2.gz GKILFNPZKUFIDW-ZETCQYMHSA-N 2 1 299.243 2.316 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(N)cc(F)c2)[C@@H](C)C1 ZINC000873287430 649627517 /nfs/dbraw/zinc/62/75/17/649627517.db2.gz DYWBVILLYAVQDU-NHYWBVRUSA-N 2 1 265.376 2.228 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(N)cc(F)c2)[C@@H](C)C1 ZINC000873287430 649627518 /nfs/dbraw/zinc/62/75/18/649627518.db2.gz DYWBVILLYAVQDU-NHYWBVRUSA-N 2 1 265.376 2.228 20 0 CEADMP CC[C@@](C)([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000879127649 651247585 /nfs/dbraw/zinc/24/75/85/651247585.db2.gz APLHDZHWXUQYMJ-DLBZAZTESA-N 2 1 294.414 2.497 20 0 CEADMP CC1(C)OC[C@H](C[NH+]2CCC(C)([NH+]3CCCC3)CC2)O1 ZINC000879203680 651259569 /nfs/dbraw/zinc/25/95/69/651259569.db2.gz TTYVPWARTWYRBR-AWEZNQCLSA-N 2 1 282.428 2.088 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3ccccc3)CC[C@H]21 ZINC000879572402 651323817 /nfs/dbraw/zinc/32/38/17/651323817.db2.gz PRQMTFBCDCQPNH-NVXWUHKLSA-N 2 1 274.408 2.482 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3ccccc3)CC[C@H]21 ZINC000879572402 651323819 /nfs/dbraw/zinc/32/38/19/651323819.db2.gz PRQMTFBCDCQPNH-NVXWUHKLSA-N 2 1 274.408 2.482 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3ccccc3)CC[C@H]21 ZINC000879572402 651323823 /nfs/dbraw/zinc/32/38/23/651323823.db2.gz PRQMTFBCDCQPNH-NVXWUHKLSA-N 2 1 274.408 2.482 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3cccs3)CC[C@@H]21 ZINC000879572106 651324243 /nfs/dbraw/zinc/32/42/43/651324243.db2.gz FCLNEEKTQLYIKH-OCCSQVGLSA-N 2 1 250.411 2.317 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3cccs3)CC[C@@H]21 ZINC000879572106 651324244 /nfs/dbraw/zinc/32/42/44/651324244.db2.gz FCLNEEKTQLYIKH-OCCSQVGLSA-N 2 1 250.411 2.317 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3cccs3)CC[C@@H]21 ZINC000879572106 651324246 /nfs/dbraw/zinc/32/42/46/651324246.db2.gz FCLNEEKTQLYIKH-OCCSQVGLSA-N 2 1 250.411 2.317 20 0 CEADMP Cc1nsc(C)c1CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879581105 651326613 /nfs/dbraw/zinc/32/66/13/651326613.db2.gz WIZPIKTUJNCWLC-TZMCWYRMSA-N 2 1 265.426 2.286 20 0 CEADMP CC(C)C[N@@H+](C[C@H](O)C(C)C)CC1CC[NH+](C)CC1 ZINC000879702987 651341512 /nfs/dbraw/zinc/34/15/12/651341512.db2.gz BQKKPOHLZAAWBT-INIZCTEOSA-N 2 1 270.461 2.303 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879735327 651344410 /nfs/dbraw/zinc/34/44/10/651344410.db2.gz WTJUDDLSSVHEAV-OAHLLOKOSA-N 2 1 277.412 2.434 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880049392 651379111 /nfs/dbraw/zinc/37/91/11/651379111.db2.gz OTOBMYOKNFAZBC-GFCCVEGCSA-N 2 1 291.317 2.235 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880049392 651379112 /nfs/dbraw/zinc/37/91/12/651379112.db2.gz OTOBMYOKNFAZBC-GFCCVEGCSA-N 2 1 291.317 2.235 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000880138180 651390173 /nfs/dbraw/zinc/39/01/73/651390173.db2.gz RUXDHIQLPCUNHO-CVEARBPZSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000880138180 651390174 /nfs/dbraw/zinc/39/01/74/651390174.db2.gz RUXDHIQLPCUNHO-CVEARBPZSA-N 2 1 276.428 2.140 20 0 CEADMP CCn1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cn1 ZINC000880259656 651411514 /nfs/dbraw/zinc/41/15/14/651411514.db2.gz YKZVSVMNADCBMU-CQSZACIVSA-N 2 1 285.395 2.009 20 0 CEADMP CCn1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cn1 ZINC000880259656 651411515 /nfs/dbraw/zinc/41/15/15/651411515.db2.gz YKZVSVMNADCBMU-CQSZACIVSA-N 2 1 285.395 2.009 20 0 CEADMP C[C@H]1C[N@@H+](CCC2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000880259292 651411653 /nfs/dbraw/zinc/41/16/53/651411653.db2.gz PEEYMKKMNVMVFZ-HNNXBMFYSA-N 2 1 289.423 2.409 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccncc2)CCN1c1cc[nH+]cc1 ZINC000880260578 651412201 /nfs/dbraw/zinc/41/22/01/651412201.db2.gz FAFUGEJWLZAFBP-AWEZNQCLSA-N 2 1 268.364 2.187 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccncc2)CCN1c1cc[nH+]cc1 ZINC000880260578 651412203 /nfs/dbraw/zinc/41/22/03/651412203.db2.gz FAFUGEJWLZAFBP-AWEZNQCLSA-N 2 1 268.364 2.187 20 0 CEADMP C[C@H]1C[N@@H+](CCc2ccncc2)CCN1c1cc[nH+]cc1 ZINC000880260976 651412246 /nfs/dbraw/zinc/41/22/46/651412246.db2.gz RSTBKQCJVDUCBA-HNNXBMFYSA-N 2 1 282.391 2.230 20 0 CEADMP FC[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](CF)C2)C1 ZINC000880298213 651418800 /nfs/dbraw/zinc/41/88/00/651418800.db2.gz ZZNWYXAFOURRJI-OKILXGFUSA-N 2 1 260.372 2.349 20 0 CEADMP FC[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](CF)C2)C1 ZINC000880298213 651418802 /nfs/dbraw/zinc/41/88/02/651418802.db2.gz ZZNWYXAFOURRJI-OKILXGFUSA-N 2 1 260.372 2.349 20 0 CEADMP FC[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](CF)C2)C1 ZINC000880298213 651418804 /nfs/dbraw/zinc/41/88/04/651418804.db2.gz ZZNWYXAFOURRJI-OKILXGFUSA-N 2 1 260.372 2.349 20 0 CEADMP C[C@]1(c2ccccc2)CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000880371348 651430746 /nfs/dbraw/zinc/43/07/46/651430746.db2.gz GCUOGWFINYFULO-QZTJIDSGSA-N 2 1 288.435 2.454 20 0 CEADMP C[C@]1(c2ccccc2)CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000880371348 651430749 /nfs/dbraw/zinc/43/07/49/651430749.db2.gz GCUOGWFINYFULO-QZTJIDSGSA-N 2 1 288.435 2.454 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@]1(C)c1ccccc1)C1CC1 ZINC000880371820 651431177 /nfs/dbraw/zinc/43/11/77/651431177.db2.gz OBBBWZLZQHEDFU-ROUUACIJSA-N 2 1 288.435 2.453 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@]1(C)c1ccccc1)C1CC1 ZINC000880371820 651431178 /nfs/dbraw/zinc/43/11/78/651431178.db2.gz OBBBWZLZQHEDFU-ROUUACIJSA-N 2 1 288.435 2.453 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@]1(C)c1ccccc1)C1CC1 ZINC000880371820 651431179 /nfs/dbraw/zinc/43/11/79/651431179.db2.gz OBBBWZLZQHEDFU-ROUUACIJSA-N 2 1 288.435 2.453 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@]1(C)c1ccccc1)C1CC1 ZINC000880371820 651431180 /nfs/dbraw/zinc/43/11/80/651431180.db2.gz OBBBWZLZQHEDFU-ROUUACIJSA-N 2 1 288.435 2.453 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000881389089 651705965 /nfs/dbraw/zinc/70/59/65/651705965.db2.gz VUFXWUNGADEHQF-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000881389089 651705969 /nfs/dbraw/zinc/70/59/69/651705969.db2.gz VUFXWUNGADEHQF-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000881389089 651705971 /nfs/dbraw/zinc/70/59/71/651705971.db2.gz VUFXWUNGADEHQF-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000882915252 652268450 /nfs/dbraw/zinc/26/84/50/652268450.db2.gz LGJIXQDNSMZTGX-ZDUSSCGKSA-N 2 1 290.363 2.208 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000882915252 652268456 /nfs/dbraw/zinc/26/84/56/652268456.db2.gz LGJIXQDNSMZTGX-ZDUSSCGKSA-N 2 1 290.363 2.208 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000882941542 652279652 /nfs/dbraw/zinc/27/96/52/652279652.db2.gz SVWUYDDWNYAUEO-CYBMUJFWSA-N 2 1 288.395 2.088 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000883243147 652412095 /nfs/dbraw/zinc/41/20/95/652412095.db2.gz BXDSRLQFVLDPQS-AWEZNQCLSA-N 2 1 277.412 2.442 20 0 CEADMP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H]1CCCOC1 ZINC000883353329 652438781 /nfs/dbraw/zinc/43/87/81/652438781.db2.gz SHWJJNHZRAKPMD-OCCSQVGLSA-N 2 1 297.468 2.500 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCC3(COC3)CC2)CC[N@@H+]1C ZINC000883379053 652449743 /nfs/dbraw/zinc/44/97/43/652449743.db2.gz KZNRFQPRBUGPJW-TZMCWYRMSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCC3(COC3)CC2)CC[N@H+]1C ZINC000883379053 652449745 /nfs/dbraw/zinc/44/97/45/652449745.db2.gz KZNRFQPRBUGPJW-TZMCWYRMSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000883429116 652466653 /nfs/dbraw/zinc/46/66/53/652466653.db2.gz MCUKSBIOAKFASU-KGLIPLIRSA-N 2 1 263.385 2.113 20 0 CEADMP C[N@@H+](C[C@H]1CC[C@H](c2ccccc2)O1)C1CC([NH3+])C1 ZINC000883429529 652467083 /nfs/dbraw/zinc/46/70/83/652467083.db2.gz YAGOOLFGTVOVBN-QDIHITRGSA-N 2 1 260.381 2.328 20 0 CEADMP C[NH2+]CCC[N@H+](C)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883433091 652468198 /nfs/dbraw/zinc/46/81/98/652468198.db2.gz IDVZFAQXYUAMAZ-JKSUJKDBSA-N 2 1 262.397 2.448 20 0 CEADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883433091 652468200 /nfs/dbraw/zinc/46/82/00/652468200.db2.gz IDVZFAQXYUAMAZ-JKSUJKDBSA-N 2 1 262.397 2.448 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H]1CCC2(CCOCC2)CO1 ZINC000883439219 652470630 /nfs/dbraw/zinc/47/06/30/652470630.db2.gz LYKOCZAPWOHDKZ-OAHLLOKOSA-N 2 1 296.455 2.036 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H]1CCC2(CCOCC2)CO1 ZINC000883439219 652470633 /nfs/dbraw/zinc/47/06/33/652470633.db2.gz LYKOCZAPWOHDKZ-OAHLLOKOSA-N 2 1 296.455 2.036 20 0 CEADMP c1ccc2c(c1)C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCN21 ZINC000883462719 652478067 /nfs/dbraw/zinc/47/80/67/652478067.db2.gz YCAUTKOJTKCHKK-ZBFHGGJFSA-N 2 1 271.408 2.081 20 0 CEADMP CCOCCCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925482043 652609010 /nfs/dbraw/zinc/60/90/10/652609010.db2.gz SVXOVZKIRJCTTG-ZFWWWQNUSA-N 2 1 250.386 2.481 20 0 CEADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000884179783 652744382 /nfs/dbraw/zinc/74/43/82/652744382.db2.gz ANTUHRQALTYUNS-HUUCEWRRSA-N 2 1 297.487 2.377 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884203706 652750697 /nfs/dbraw/zinc/75/06/97/652750697.db2.gz CIJVLHDAXYSBMI-CABCVRRESA-N 2 1 295.471 2.003 20 0 CEADMP Cc1cc2[nH]ccc2c(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)[nH+]1 ZINC001164633680 719209602 /nfs/dbraw/zinc/20/96/02/719209602.db2.gz FEVOGNZGPSBYFJ-NEPJUHHUSA-N 2 1 258.369 2.400 20 0 CEADMP COC[C@@H]1CCCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000696560462 805644121 /nfs/dbraw/zinc/64/41/21/805644121.db2.gz PEWCCTHSLRCMDZ-CABCVRRESA-N 2 1 254.418 2.125 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CCC(C)C ZINC001087522987 805666282 /nfs/dbraw/zinc/66/62/82/805666282.db2.gz FCVXHFVYAWIIQH-XHSDSOJGSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCC(C)C ZINC001087522987 805666286 /nfs/dbraw/zinc/66/62/86/805666286.db2.gz FCVXHFVYAWIIQH-XHSDSOJGSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CCC(C)C ZINC001087522987 805666291 /nfs/dbraw/zinc/66/62/91/805666291.db2.gz FCVXHFVYAWIIQH-XHSDSOJGSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1CC(C)C ZINC001087726119 805781082 /nfs/dbraw/zinc/78/10/82/805781082.db2.gz RTDUIRKWCAJZTQ-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1CC(C)C ZINC001087726119 805781088 /nfs/dbraw/zinc/78/10/88/805781088.db2.gz RTDUIRKWCAJZTQ-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1CC(C)C ZINC001087726119 805781092 /nfs/dbraw/zinc/78/10/92/805781092.db2.gz RTDUIRKWCAJZTQ-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CC([N@H+]2CC[C@@H](O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039855 805865645 /nfs/dbraw/zinc/86/56/45/805865645.db2.gz IBEIKNYGSAZJRD-IIDMSEBBSA-N 2 1 288.435 2.495 20 0 CEADMP CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001271279046 805906939 /nfs/dbraw/zinc/90/69/39/805906939.db2.gz WDBYVRAFALSVJG-GJZGRUSLSA-N 2 1 283.460 2.001 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)NCC3)C1 ZINC001205018694 805953639 /nfs/dbraw/zinc/95/36/39/805953639.db2.gz YBZUVWPRQCRJKX-AWEZNQCLSA-N 2 1 259.397 2.086 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001029739709 806058118 /nfs/dbraw/zinc/05/81/18/806058118.db2.gz KOZYFNROYLDFKK-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001029739709 806058124 /nfs/dbraw/zinc/05/81/24/806058124.db2.gz KOZYFNROYLDFKK-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001029739709 806058133 /nfs/dbraw/zinc/05/81/33/806058133.db2.gz KOZYFNROYLDFKK-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP c1cc2c(s1)CC[N@@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000697012345 806089965 /nfs/dbraw/zinc/08/99/65/806089965.db2.gz DONBGJNEWBFSFH-LBPRGKRZSA-N 2 1 250.411 2.496 20 0 CEADMP c1cc2c(s1)CC[N@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000697012345 806089974 /nfs/dbraw/zinc/08/99/74/806089974.db2.gz DONBGJNEWBFSFH-LBPRGKRZSA-N 2 1 250.411 2.496 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001088382214 806174935 /nfs/dbraw/zinc/17/49/35/806174935.db2.gz WSSCUNRAWCRDFT-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CCO1 ZINC001168106540 806175235 /nfs/dbraw/zinc/17/52/35/806175235.db2.gz ZKZKWINVZCDXSC-QLFBSQMISA-N 2 1 254.418 2.395 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)CCO1 ZINC001168136462 806268460 /nfs/dbraw/zinc/26/84/60/806268460.db2.gz JYIUWRDYCVOFSU-DOMZBBRYSA-N 2 1 252.402 2.113 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)C(C)C)C1 ZINC001029910296 806286054 /nfs/dbraw/zinc/28/60/54/806286054.db2.gz DJESCROXTKATRT-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)C(C)C)C1 ZINC001029910296 806286057 /nfs/dbraw/zinc/28/60/57/806286057.db2.gz DJESCROXTKATRT-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)C(C)C)C1 ZINC001029910296 806286065 /nfs/dbraw/zinc/28/60/65/806286065.db2.gz DJESCROXTKATRT-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001029910699 806287254 /nfs/dbraw/zinc/28/72/54/806287254.db2.gz WEOHVVMDSKHSOU-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1C ZINC001088666779 806585124 /nfs/dbraw/zinc/58/51/24/806585124.db2.gz QZMHBAAJLTUWJE-OWCLPIDISA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1C ZINC001088666779 806585128 /nfs/dbraw/zinc/58/51/28/806585128.db2.gz QZMHBAAJLTUWJE-OWCLPIDISA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001088666779 806585132 /nfs/dbraw/zinc/58/51/32/806585132.db2.gz QZMHBAAJLTUWJE-OWCLPIDISA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1C ZINC001088666779 806585134 /nfs/dbraw/zinc/58/51/34/806585134.db2.gz QZMHBAAJLTUWJE-OWCLPIDISA-N 2 1 293.455 2.016 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3C[C@@]3(C[NH+](C)C)C1)C2 ZINC001168286148 806628416 /nfs/dbraw/zinc/62/84/16/806628416.db2.gz IRJMSXVJYXRXNR-SOLBZPMBSA-N 2 1 286.419 2.046 20 0 CEADMP CC(C)c1nc(C[NH2+]C2CCC([NH+](C)C)CC2)no1 ZINC001168290579 806633766 /nfs/dbraw/zinc/63/37/66/806633766.db2.gz PJKILODATNGXNH-UHFFFAOYSA-N 2 1 266.389 2.155 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@](F)(CO)CC2)CC1 ZINC001168315059 806648937 /nfs/dbraw/zinc/64/89/37/806648937.db2.gz QKLURFAKNZXOLI-YMAMQOFZSA-N 2 1 272.408 2.046 20 0 CEADMP CCCO[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168323068 806653799 /nfs/dbraw/zinc/65/37/99/806653799.db2.gz PCDULHBXHIYRGY-NRXISQOPSA-N 2 1 254.418 2.360 20 0 CEADMP CC(=O)N1CC[C@H]([N@H+](C(C)C)C2CCC([NH+](C)C)CC2)C1 ZINC001168328253 806658714 /nfs/dbraw/zinc/65/87/14/806658714.db2.gz BQKMQPMJGYGTJN-JCYILVPMSA-N 2 1 295.471 2.190 20 0 CEADMP CCN(CC)c1ncc(C[NH2+]CC[C@@H](C)[NH+](C)C)s1 ZINC000697920581 806759992 /nfs/dbraw/zinc/75/99/92/806759992.db2.gz ONDPPONLAIWWME-GFCCVEGCSA-N 2 1 284.473 2.419 20 0 CEADMP C[C@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)CC[C@@]1(C)O ZINC001168373706 806974995 /nfs/dbraw/zinc/97/49/95/806974995.db2.gz SUQWVEZEZFGDEN-WMLDXEAASA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)CC[C@]1(C)O ZINC001208108343 802341982 /nfs/dbraw/zinc/34/19/82/802341982.db2.gz TVKQLXQUWCHPTD-ZBFHGGJFSA-N 2 1 268.445 2.201 20 0 CEADMP CCCOc1ncccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206768163 802361236 /nfs/dbraw/zinc/36/12/36/802361236.db2.gz HZRSLFTWFFDWLJ-UONOGXRCSA-N 2 1 277.412 2.430 20 0 CEADMP CCCOc1ncccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206768163 802361245 /nfs/dbraw/zinc/36/12/45/802361245.db2.gz HZRSLFTWFFDWLJ-UONOGXRCSA-N 2 1 277.412 2.430 20 0 CEADMP CCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C1CCN(C(C)=O)CC1 ZINC001208612020 802388518 /nfs/dbraw/zinc/38/85/18/802388518.db2.gz AACXJWTUPNANEH-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C1CCN(C(C)=O)CC1 ZINC001208612020 802388525 /nfs/dbraw/zinc/38/85/25/802388525.db2.gz AACXJWTUPNANEH-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C1CCN(C(C)=O)CC1 ZINC001208612020 802388534 /nfs/dbraw/zinc/38/85/34/802388534.db2.gz AACXJWTUPNANEH-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C1CCN(C(C)=O)CC1 ZINC001208612020 802388539 /nfs/dbraw/zinc/38/85/39/802388539.db2.gz AACXJWTUPNANEH-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H](c3ccncc3)C2)C1 ZINC001208606982 802390320 /nfs/dbraw/zinc/39/03/20/802390320.db2.gz KCGVXZGQCKUAKI-HOCLYGCPSA-N 2 1 259.397 2.213 20 0 CEADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H](c3ccncc3)C2)C1 ZINC001208606982 802390324 /nfs/dbraw/zinc/39/03/24/802390324.db2.gz KCGVXZGQCKUAKI-HOCLYGCPSA-N 2 1 259.397 2.213 20 0 CEADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H](c3ccncc3)C2)C1 ZINC001208606982 802390334 /nfs/dbraw/zinc/39/03/34/802390334.db2.gz KCGVXZGQCKUAKI-HOCLYGCPSA-N 2 1 259.397 2.213 20 0 CEADMP CC(C)=CC[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001266332188 802449046 /nfs/dbraw/zinc/44/90/46/802449046.db2.gz FXWXJIDEORRFLZ-UHFFFAOYSA-N 2 1 292.427 2.021 20 0 CEADMP CC(C)=CC[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001266332188 802449047 /nfs/dbraw/zinc/44/90/47/802449047.db2.gz FXWXJIDEORRFLZ-UHFFFAOYSA-N 2 1 292.427 2.021 20 0 CEADMP CCCC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001167232907 802593084 /nfs/dbraw/zinc/59/30/84/802593084.db2.gz UHQLCDHJEUPTCB-OAHLLOKOSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@H]1CCC[N@H+]1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397520454 802645484 /nfs/dbraw/zinc/64/54/84/802645484.db2.gz FHLBFQXXBWSKCA-INIZCTEOSA-N 2 1 288.435 2.498 20 0 CEADMP CC(C)c1noc(C[N@H+](C)CCCCCC[NH3+])n1 ZINC000710779909 809993173 /nfs/dbraw/zinc/99/31/73/809993173.db2.gz KHRQWTXYEHVLHQ-UHFFFAOYSA-N 2 1 254.378 2.144 20 0 CEADMP CC(C)c1noc(C[N@@H+](C)CCCCCC[NH3+])n1 ZINC000710779909 809993175 /nfs/dbraw/zinc/99/31/75/809993175.db2.gz KHRQWTXYEHVLHQ-UHFFFAOYSA-N 2 1 254.378 2.144 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC=C(C)C)C1 ZINC001210790478 802734778 /nfs/dbraw/zinc/73/47/78/802734778.db2.gz XUASFRACHLDZRR-INIZCTEOSA-N 2 1 295.471 2.265 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000723609298 802903212 /nfs/dbraw/zinc/90/32/12/802903212.db2.gz LSDSYZPOIWBDKI-KLHDSHLOSA-N 2 1 266.429 2.123 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723640133 802913318 /nfs/dbraw/zinc/91/33/18/802913318.db2.gz OXAMDNQWEDFJOK-BZUAXINKSA-N 2 1 277.412 2.376 20 0 CEADMP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CC[NH3+])C2)c(Cl)c1 ZINC000723695217 802925781 /nfs/dbraw/zinc/92/57/81/802925781.db2.gz LTIMLGWHIBZASF-LBPRGKRZSA-N 2 1 295.814 2.258 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)c(Cl)c1 ZINC000723695217 802925785 /nfs/dbraw/zinc/92/57/85/802925785.db2.gz LTIMLGWHIBZASF-LBPRGKRZSA-N 2 1 295.814 2.258 20 0 CEADMP Cc1cc(C)nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000723845247 802947431 /nfs/dbraw/zinc/94/74/31/802947431.db2.gz GNTZCJWYIBRABV-CWRNSKLLSA-N 2 1 259.397 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1CC[NH3+] ZINC000723885992 802963754 /nfs/dbraw/zinc/96/37/54/802963754.db2.gz FEELNXDVDNZNCE-TZMCWYRMSA-N 2 1 264.417 2.055 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1CC[NH3+] ZINC000723893581 802965812 /nfs/dbraw/zinc/96/58/12/802965812.db2.gz BWKIPMFSQUDGSA-ZYHUDNBSSA-N 2 1 253.777 2.152 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCOC1 ZINC000723985188 802984983 /nfs/dbraw/zinc/98/49/83/802984983.db2.gz CPZPFXBURMFINZ-KKUMJFAQSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC12CCCCC2 ZINC000707639836 803014606 /nfs/dbraw/zinc/01/46/06/803014606.db2.gz GVKLZAJGWJADAY-CYBMUJFWSA-N 2 1 254.418 2.144 20 0 CEADMP CC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)CC)CCCCC1 ZINC001115601519 803112561 /nfs/dbraw/zinc/11/25/61/803112561.db2.gz DZMJMCSZKDGXNV-UHFFFAOYSA-N 2 1 283.460 2.145 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](COCc3ccccc3)C2)C1 ZINC000693593507 803143182 /nfs/dbraw/zinc/14/31/82/803143182.db2.gz YCNSSUNGZQEQQF-ZACQAIPSSA-N 2 1 274.408 2.262 20 0 CEADMP [NH3+]Cc1cccn1-c1c[nH+]c2cc(Br)ccn21 ZINC001167592811 803173010 /nfs/dbraw/zinc/17/30/10/803173010.db2.gz FNXASACOBGLGHD-UHFFFAOYSA-N 2 1 291.152 2.346 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001267178995 803197822 /nfs/dbraw/zinc/19/78/22/803197822.db2.gz IOCXUQZEEGBDDL-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167639779 803228261 /nfs/dbraw/zinc/22/82/61/803228261.db2.gz FZVJCCYMDRJJRS-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP C(CC1SCCS1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000693788573 803318548 /nfs/dbraw/zinc/31/85/48/803318548.db2.gz BXNRZMLQHSSOHE-UHFFFAOYSA-N 2 1 272.483 2.399 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000724928189 803353007 /nfs/dbraw/zinc/35/30/07/803353007.db2.gz ZXSKGMHHSBOJKO-HZSPNIEDSA-N 2 1 297.443 2.068 20 0 CEADMP Cc1[nH]c(CN2CCC([NH+]3CCCCC3)CC2)c[nH+]1 ZINC000724782851 803395318 /nfs/dbraw/zinc/39/53/18/803395318.db2.gz PUHXTVDFEZNKQR-UHFFFAOYSA-N 2 1 262.401 2.168 20 0 CEADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+]CCCC(C)(C)C ZINC001267402587 803457635 /nfs/dbraw/zinc/45/76/35/803457635.db2.gz HEQGLTISEHZDRF-UHFFFAOYSA-N 2 1 294.443 2.066 20 0 CEADMP C[N@@H+](CCCC(=O)c1cccnc1)CC1CC[NH+](C)CC1 ZINC001207398890 803488447 /nfs/dbraw/zinc/48/84/47/803488447.db2.gz UGQOKLYZIIFAFT-UHFFFAOYSA-N 2 1 289.423 2.318 20 0 CEADMP CCC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267617958 803624001 /nfs/dbraw/zinc/62/40/01/803624001.db2.gz VQJLHMFQHPOIQV-FYCOFBDGSA-N 2 1 295.471 2.265 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C[C@H]1C(F)(F)F ZINC000715394482 814951732 /nfs/dbraw/zinc/95/17/32/814951732.db2.gz NZVYTBOHPSSGKX-YVECIDJPSA-N 2 1 292.345 2.013 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C[C@H]1C(F)(F)F ZINC000715394482 814951736 /nfs/dbraw/zinc/95/17/36/814951736.db2.gz NZVYTBOHPSSGKX-YVECIDJPSA-N 2 1 292.345 2.013 20 0 CEADMP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267724227 803676403 /nfs/dbraw/zinc/67/64/03/803676403.db2.gz RVAKPYMDMJHNKG-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267724227 803676407 /nfs/dbraw/zinc/67/64/07/803676407.db2.gz RVAKPYMDMJHNKG-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267724227 803676410 /nfs/dbraw/zinc/67/64/10/803676410.db2.gz RVAKPYMDMJHNKG-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267741632 803695261 /nfs/dbraw/zinc/69/52/61/803695261.db2.gz GWBSUYLLIOHEEB-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267741632 803695265 /nfs/dbraw/zinc/69/52/65/803695265.db2.gz GWBSUYLLIOHEEB-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267741632 803695267 /nfs/dbraw/zinc/69/52/67/803695267.db2.gz GWBSUYLLIOHEEB-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001267751878 803710207 /nfs/dbraw/zinc/71/02/07/803710207.db2.gz MTUYJYKHWOGYAA-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000715489040 814968376 /nfs/dbraw/zinc/96/83/76/814968376.db2.gz BUTJLHQHTKVNDX-PNESKVBLSA-N 2 1 270.417 2.179 20 0 CEADMP CNc1cc[nH+]c(NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC001167752684 803838032 /nfs/dbraw/zinc/83/80/32/803838032.db2.gz WYDAHETYHQJOOY-LBPRGKRZSA-N 2 1 263.389 2.195 20 0 CEADMP CNc1cc[nH+]c(NCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001167752684 803838041 /nfs/dbraw/zinc/83/80/41/803838041.db2.gz WYDAHETYHQJOOY-LBPRGKRZSA-N 2 1 263.389 2.195 20 0 CEADMP C[C@@H]1C[C@H](n2cncc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398166397 803857019 /nfs/dbraw/zinc/85/70/19/803857019.db2.gz DNABWYZOKBCPQN-HIFRSBDPSA-N 2 1 270.380 2.177 20 0 CEADMP CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001026931478 803917288 /nfs/dbraw/zinc/91/72/88/803917288.db2.gz GTFKZIYQTYCJQH-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC)C1 ZINC001027163803 803965966 /nfs/dbraw/zinc/96/59/66/803965966.db2.gz KYHAGWPSRVSSJP-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001027475169 804084676 /nfs/dbraw/zinc/08/46/76/804084676.db2.gz NYWQTMIJDSWXQL-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001027475169 804084685 /nfs/dbraw/zinc/08/46/85/804084685.db2.gz NYWQTMIJDSWXQL-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001027475169 804084694 /nfs/dbraw/zinc/08/46/94/804084694.db2.gz NYWQTMIJDSWXQL-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1F ZINC000125529673 804091786 /nfs/dbraw/zinc/09/17/86/804091786.db2.gz ZCBFIWHOSHORJL-NSHDSACASA-N 2 1 252.333 2.005 20 0 CEADMP CC(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001038780820 804236596 /nfs/dbraw/zinc/23/65/96/804236596.db2.gz NKXPEYBMTNVJNO-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001038780820 804236602 /nfs/dbraw/zinc/23/66/02/804236602.db2.gz NKXPEYBMTNVJNO-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001027919652 804343521 /nfs/dbraw/zinc/34/35/21/804343521.db2.gz ZFAMRDQIPSTEQM-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001027919652 804343530 /nfs/dbraw/zinc/34/35/30/804343530.db2.gz ZFAMRDQIPSTEQM-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001027919652 804343531 /nfs/dbraw/zinc/34/35/31/804343531.db2.gz ZFAMRDQIPSTEQM-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268062434 804368197 /nfs/dbraw/zinc/36/81/97/804368197.db2.gz AFJHJWLHHRLGAB-ARFHVFGLSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001167826097 804385692 /nfs/dbraw/zinc/38/56/92/804385692.db2.gz WIVUXDGYDWNPPE-BBWFWOEESA-N 3 1 281.488 2.380 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001167826097 804385700 /nfs/dbraw/zinc/38/57/00/804385700.db2.gz WIVUXDGYDWNPPE-BBWFWOEESA-N 3 1 281.488 2.380 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001167826097 804385710 /nfs/dbraw/zinc/38/57/10/804385710.db2.gz WIVUXDGYDWNPPE-BBWFWOEESA-N 3 1 281.488 2.380 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H](C(=O)OC)C2(CC2)C1 ZINC001167836169 804428897 /nfs/dbraw/zinc/42/88/97/804428897.db2.gz WTRJTEPEKDSPBJ-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001268105288 804442788 /nfs/dbraw/zinc/44/27/88/804442788.db2.gz NKZBRFIUSPDTBT-HRCADAONSA-N 2 1 297.487 2.247 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](Cn2ccnc2)C(C)(C)C)CC1 ZINC000037156244 815021252 /nfs/dbraw/zinc/02/12/52/815021252.db2.gz YYMZCESEIMFXIP-HNNXBMFYSA-N 2 1 278.444 2.372 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)sn1 ZINC000692923208 804554516 /nfs/dbraw/zinc/55/45/16/804554516.db2.gz NTXNHJSALHFNSO-ZDUSSCGKSA-N 2 1 295.452 2.363 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc(Cl)n1 ZINC000401851508 804619128 /nfs/dbraw/zinc/61/91/28/804619128.db2.gz WYEONOWVTUATNE-GFCCVEGCSA-N 2 1 267.804 2.475 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc(Cl)n1 ZINC000401851508 804619130 /nfs/dbraw/zinc/61/91/30/804619130.db2.gz WYEONOWVTUATNE-GFCCVEGCSA-N 2 1 267.804 2.475 20 0 CEADMP CC1(C)CC(=O)Nc2cccc(NC(=[NH2+])SCC[NH3+])c21 ZINC001167916056 804725791 /nfs/dbraw/zinc/72/57/91/804725791.db2.gz NWJTWSSHAFYBBN-UHFFFAOYSA-N 2 1 292.408 2.345 20 0 CEADMP c1ccc(CN2C[C@@H]3C[N@@H+]([C@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)nc1 ZINC001167933617 804864982 /nfs/dbraw/zinc/86/49/82/804864982.db2.gz DFGPEJOCGJEVKW-NDVMQCNYSA-N 2 1 283.419 2.244 20 0 CEADMP CO[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168387754 807045516 /nfs/dbraw/zinc/04/55/16/807045516.db2.gz SKCFTGQKSQDMAD-INIZCTEOSA-N 2 1 266.429 2.362 20 0 CEADMP CCCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001269455417 805170569 /nfs/dbraw/zinc/17/05/69/805170569.db2.gz VPTNPYZIEPIOIP-CABCVRRESA-N 2 1 283.460 2.145 20 0 CEADMP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001038406218 805246224 /nfs/dbraw/zinc/24/62/24/805246224.db2.gz BOCVITHIQDRRDV-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001038406218 805246229 /nfs/dbraw/zinc/24/62/29/805246229.db2.gz BOCVITHIQDRRDV-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001038406218 805246237 /nfs/dbraw/zinc/24/62/37/805246237.db2.gz BOCVITHIQDRRDV-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001038406218 805246245 /nfs/dbraw/zinc/24/62/45/805246245.db2.gz BOCVITHIQDRRDV-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC/C=C/CC[NH+]1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269805789 805257458 /nfs/dbraw/zinc/25/74/58/805257458.db2.gz OTOCVQQHYBOWHD-FDMDGMSGSA-N 2 1 295.471 2.072 20 0 CEADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@H]1O ZINC001167984285 805528283 /nfs/dbraw/zinc/52/82/83/805528283.db2.gz MOVRRYNQVJJFOS-HYMJZGCSSA-N 2 1 278.440 2.095 20 0 CEADMP C[N@H+](Cc1ccc(-n2ccnc2)cc1)CC1CC[NH2+]CC1 ZINC000094024268 807284664 /nfs/dbraw/zinc/28/46/64/807284664.db2.gz VWHSYZKOSJUBAK-UHFFFAOYSA-N 2 1 284.407 2.304 20 0 CEADMP C[N@@H+](C[C@@H]1CCC2(CCC2)CO1)CC(C)(C)C[NH3+] ZINC000716304513 815112077 /nfs/dbraw/zinc/11/20/77/815112077.db2.gz ZXLJERGSCFWYOX-ZDUSSCGKSA-N 2 1 254.418 2.252 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])C1 ZINC000721965649 807437423 /nfs/dbraw/zinc/43/74/23/807437423.db2.gz ZWKVUPVNMVSLQU-APIJFGDWSA-N 2 1 254.418 2.251 20 0 CEADMP Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205102598 807635784 /nfs/dbraw/zinc/63/57/84/807635784.db2.gz UEEAUAYIDOSEDL-CQSZACIVSA-N 2 1 272.396 2.264 20 0 CEADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccnn2-c2ccccc2)CC1 ZINC001205109720 807672554 /nfs/dbraw/zinc/67/25/54/807672554.db2.gz KACCOZJCDDCGAX-CQSZACIVSA-N 2 1 270.380 2.186 20 0 CEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)CC1 ZINC001205109720 807672556 /nfs/dbraw/zinc/67/25/56/807672556.db2.gz KACCOZJCDDCGAX-CQSZACIVSA-N 2 1 270.380 2.186 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](CCN)Cc2ccccc2)CC1 ZINC000715204264 807742285 /nfs/dbraw/zinc/74/22/85/807742285.db2.gz KGULFJITLVBXQR-UHFFFAOYSA-N 2 1 275.440 2.320 20 0 CEADMP C[NH+](C)C1CCC(N(CC[NH3+])Cc2ccccc2)CC1 ZINC000715204264 807742288 /nfs/dbraw/zinc/74/22/88/807742288.db2.gz KGULFJITLVBXQR-UHFFFAOYSA-N 2 1 275.440 2.320 20 0 CEADMP C[NH+](C)C1CCC([N@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC000715204264 807742291 /nfs/dbraw/zinc/74/22/91/807742291.db2.gz KGULFJITLVBXQR-UHFFFAOYSA-N 3 1 275.440 2.320 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC000715204264 807742296 /nfs/dbraw/zinc/74/22/96/807742296.db2.gz KGULFJITLVBXQR-UHFFFAOYSA-N 3 1 275.440 2.320 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2N2CCCC2)C[C@H]1C[NH3+] ZINC001205136085 807762283 /nfs/dbraw/zinc/76/22/83/807762283.db2.gz MKFTYBNGVPMBMJ-GOEBONIOSA-N 2 1 273.424 2.313 20 0 CEADMP CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235510642 807838436 /nfs/dbraw/zinc/83/84/36/807838436.db2.gz CCWFZYOFFAWVAE-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235510642 807838445 /nfs/dbraw/zinc/83/84/45/807838445.db2.gz CCWFZYOFFAWVAE-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235510642 807838454 /nfs/dbraw/zinc/83/84/54/807838454.db2.gz CCWFZYOFFAWVAE-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCC(C)(C)C)C1 ZINC001031439078 807956922 /nfs/dbraw/zinc/95/69/22/807956922.db2.gz BEVPOKPPIHXARO-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCC(C)(C)C)C1 ZINC001031439078 807956926 /nfs/dbraw/zinc/95/69/26/807956926.db2.gz BEVPOKPPIHXARO-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001124877357 808273502 /nfs/dbraw/zinc/27/35/02/808273502.db2.gz GMMRFYFCIIBZOL-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127707006 808363668 /nfs/dbraw/zinc/36/36/68/808363668.db2.gz SNJFCGPQXQHZAJ-LSDHHAIUSA-N 2 1 283.460 2.003 20 0 CEADMP COC(=O)[C@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171631936 815202006 /nfs/dbraw/zinc/20/20/06/815202006.db2.gz QHDHNALXAYSPIV-LBPRGKRZSA-N 2 1 282.428 2.133 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC[C@H](O)C2)CC1(C)C ZINC001171632060 815202116 /nfs/dbraw/zinc/20/21/16/815202116.db2.gz URNBQRSTSTUYML-AWEZNQCLSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996465140 808404847 /nfs/dbraw/zinc/40/48/47/808404847.db2.gz QQWOQHDFCJKLGG-INIZCTEOSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107554688 808461372 /nfs/dbraw/zinc/46/13/72/808461372.db2.gz JIEOCUZGYCWIHD-ZMSDIMECSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1C(C)(C)CC(N2CC[N@H+]3CC[C@H]3C2)CC1(C)C ZINC001171641671 815215239 /nfs/dbraw/zinc/21/52/39/815215239.db2.gz SNEPSUXWDAQZSH-ZDUSSCGKSA-N 2 1 265.445 2.028 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC001205210787 808565766 /nfs/dbraw/zinc/56/57/66/808565766.db2.gz QYXAUTNUYOMYCZ-LBPRGKRZSA-N 2 1 274.817 2.077 20 0 CEADMP CCC[N@@H+](C[C@H](COC)C(C)C)C1CC[NH2+]CC1 ZINC000721911477 808594134 /nfs/dbraw/zinc/59/41/34/808594134.db2.gz JMNMRSVYHSIBCK-CQSZACIVSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@H]1C[C@@H](N[C@@H]2CCC[C@@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171746883 815224473 /nfs/dbraw/zinc/22/44/73/815224473.db2.gz UCVGNYXLAVUAJM-PQEBFOHHSA-N 2 1 273.424 2.119 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CN1Cc1ccccc1 ZINC001171746883 815224476 /nfs/dbraw/zinc/22/44/76/815224476.db2.gz UCVGNYXLAVUAJM-PQEBFOHHSA-N 2 1 273.424 2.119 20 0 CEADMP C[NH+](C)CCOc1ccc(Nc2ccc[nH+]c2N)cc1 ZINC001212399411 808744830 /nfs/dbraw/zinc/74/48/30/808744830.db2.gz BIIXPTMFVDMLBU-UHFFFAOYSA-N 2 1 272.352 2.348 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1Cc2cccc(F)c2C1 ZINC001171791040 815236771 /nfs/dbraw/zinc/23/67/71/815236771.db2.gz XXABMCFFXBCFHJ-CYBMUJFWSA-N 2 1 250.361 2.176 20 0 CEADMP CC[C@H](O)C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC001120574536 815239459 /nfs/dbraw/zinc/23/94/59/815239459.db2.gz NKSKOKQJQZKCAF-INIZCTEOSA-N 2 1 264.413 2.387 20 0 CEADMP CO[C@H]1C[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C12CCC2 ZINC000453254749 809045140 /nfs/dbraw/zinc/04/51/40/809045140.db2.gz PREOFTVHJVCHMZ-MCIONIFRSA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@H]1C[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C12CCC2 ZINC000453254749 809045145 /nfs/dbraw/zinc/04/51/45/809045145.db2.gz PREOFTVHJVCHMZ-MCIONIFRSA-N 2 1 254.418 2.262 20 0 CEADMP CCOc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206153696 815258700 /nfs/dbraw/zinc/25/87/00/815258700.db2.gz FANFGKPGTRBZAJ-KBPBESRZSA-N 2 1 266.360 2.347 20 0 CEADMP CCOc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206153696 815258705 /nfs/dbraw/zinc/25/87/05/815258705.db2.gz FANFGKPGTRBZAJ-KBPBESRZSA-N 2 1 266.360 2.347 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](C(C)C)C1 ZINC001033222771 809238206 /nfs/dbraw/zinc/23/82/06/809238206.db2.gz JHCZBZYQYYVWNR-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001033222771 809238212 /nfs/dbraw/zinc/23/82/12/809238212.db2.gz JHCZBZYQYYVWNR-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC001033222771 809238215 /nfs/dbraw/zinc/23/82/15/809238215.db2.gz JHCZBZYQYYVWNR-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1 ZINC000700546203 809322587 /nfs/dbraw/zinc/32/25/87/809322587.db2.gz WFPHRDZMXKZALH-LBPRGKRZSA-N 2 1 263.385 2.075 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC)C1 ZINC001033576235 809343973 /nfs/dbraw/zinc/34/39/73/809343973.db2.gz VPIOBHNMOCFXQT-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC)C1 ZINC001033576235 809343979 /nfs/dbraw/zinc/34/39/79/809343979.db2.gz VPIOBHNMOCFXQT-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC)C1 ZINC001033576235 809343988 /nfs/dbraw/zinc/34/39/88/809343988.db2.gz VPIOBHNMOCFXQT-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@](C)(O)CC1)C2 ZINC001172101244 815282343 /nfs/dbraw/zinc/28/23/43/815282343.db2.gz XPWZAGQYXNCBFF-JGPUMOJJSA-N 2 1 266.429 2.285 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@](C)(O)CC1)C2 ZINC001172101244 815282346 /nfs/dbraw/zinc/28/23/46/815282346.db2.gz XPWZAGQYXNCBFF-JGPUMOJJSA-N 2 1 266.429 2.285 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)C12CCC2 ZINC000700806730 809355184 /nfs/dbraw/zinc/35/51/84/809355184.db2.gz CZXQCHKYJJNOPR-NWDGAFQWSA-N 2 1 285.313 2.460 20 0 CEADMP COC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)C ZINC001172099388 815283394 /nfs/dbraw/zinc/28/33/94/815283394.db2.gz KHQYKRCHZBWLQW-XGUBFFRZSA-N 2 1 254.418 2.262 20 0 CEADMP COC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001172099388 815283402 /nfs/dbraw/zinc/28/34/02/815283402.db2.gz KHQYKRCHZBWLQW-XGUBFFRZSA-N 2 1 254.418 2.262 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3OCC[C@H]3C1)C2 ZINC001172129066 815288808 /nfs/dbraw/zinc/28/88/08/815288808.db2.gz VYNOUXUTTCVTHZ-AALSBFMBSA-N 2 1 264.413 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3OCC[C@H]3C1)C2 ZINC001172129066 815288815 /nfs/dbraw/zinc/28/88/15/815288815.db2.gz VYNOUXUTTCVTHZ-AALSBFMBSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3OCC[C@H]3C1)C2 ZINC001172129066 815288817 /nfs/dbraw/zinc/28/88/17/815288817.db2.gz VYNOUXUTTCVTHZ-AALSBFMBSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H]3OCC[C@H]3C1)C2 ZINC001172129066 815288821 /nfs/dbraw/zinc/28/88/21/815288821.db2.gz VYNOUXUTTCVTHZ-AALSBFMBSA-N 2 1 264.413 2.113 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](C)CC(C)C ZINC001128783569 809456915 /nfs/dbraw/zinc/45/69/15/809456915.db2.gz ICUGEWVZHJKZRB-HZPDHXFCSA-N 2 1 297.487 2.249 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCC(C)(C)C ZINC001128784916 809463080 /nfs/dbraw/zinc/46/30/80/809463080.db2.gz OZGSUVUJUFGVRK-OAHLLOKOSA-N 2 1 297.487 2.393 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)CO1 ZINC001172131287 815291079 /nfs/dbraw/zinc/29/10/79/815291079.db2.gz VUYSHKPCFMXZPI-ZQNQSHIBSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)CO1 ZINC001172131287 815291084 /nfs/dbraw/zinc/29/10/84/815291084.db2.gz VUYSHKPCFMXZPI-ZQNQSHIBSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)CO1 ZINC001172131287 815291086 /nfs/dbraw/zinc/29/10/86/815291086.db2.gz VUYSHKPCFMXZPI-ZQNQSHIBSA-N 2 1 252.402 2.111 20 0 CEADMP CCCC[N@@H+]1CCCC[C@H]1CNc1cc[nH+]c(N)n1 ZINC001120892173 815291529 /nfs/dbraw/zinc/29/15/29/815291529.db2.gz ARDXQHNXLYTVSA-LBPRGKRZSA-N 2 1 263.389 2.125 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNc1cc[nH+]c(N)n1 ZINC001120892173 815291533 /nfs/dbraw/zinc/29/15/33/815291533.db2.gz ARDXQHNXLYTVSA-LBPRGKRZSA-N 2 1 263.389 2.125 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172104391 815294987 /nfs/dbraw/zinc/29/49/87/815294987.db2.gz FIDZLPROSNKIAP-FPCVCCKLSA-N 2 1 265.445 2.074 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172104391 815294991 /nfs/dbraw/zinc/29/49/91/815294991.db2.gz FIDZLPROSNKIAP-FPCVCCKLSA-N 2 1 265.445 2.074 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172104391 815294995 /nfs/dbraw/zinc/29/49/95/815294995.db2.gz FIDZLPROSNKIAP-FPCVCCKLSA-N 2 1 265.445 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(CO)c1)C2 ZINC001172107848 815295607 /nfs/dbraw/zinc/29/56/07/815295607.db2.gz KPYJDRVDSSMACH-BJWYYQGGSA-N 2 1 274.408 2.284 20 0 CEADMP CCOC(=O)CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172108069 815298062 /nfs/dbraw/zinc/29/80/62/815298062.db2.gz OTZXIOIBJWDGEI-QDMKHBRRSA-N 2 1 282.428 2.325 20 0 CEADMP Cc1ccc(OCC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000702605434 809570400 /nfs/dbraw/zinc/57/04/00/809570400.db2.gz IAUJHVLMYYPTOY-CALCHBBNSA-N 2 1 274.408 2.305 20 0 CEADMP Cc1ccc(OCC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000702605434 809570403 /nfs/dbraw/zinc/57/04/03/809570403.db2.gz IAUJHVLMYYPTOY-CALCHBBNSA-N 2 1 274.408 2.305 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340145 809581993 /nfs/dbraw/zinc/58/19/93/809581993.db2.gz LRUICMVELDMHBH-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1Cc3ccccc3C[C@@H]1C[NH3+])C2 ZINC001172110397 815300866 /nfs/dbraw/zinc/30/08/66/815300866.db2.gz MENHDSJEGOLPKN-FCGDIQPGSA-N 2 1 299.462 2.387 20 0 CEADMP CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034369966 809589727 /nfs/dbraw/zinc/58/97/27/809589727.db2.gz IIWUXFKOSBVZMV-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034369966 809589729 /nfs/dbraw/zinc/58/97/29/809589729.db2.gz IIWUXFKOSBVZMV-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034369966 809589732 /nfs/dbraw/zinc/58/97/32/809589732.db2.gz IIWUXFKOSBVZMV-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(F)nc1)C2 ZINC001172115927 815306875 /nfs/dbraw/zinc/30/68/75/815306875.db2.gz GBRSUPUEFAZIBJ-ZSOGYDGISA-N 2 1 263.360 2.326 20 0 CEADMP CCCC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034400929 809600095 /nfs/dbraw/zinc/60/00/95/809600095.db2.gz YSPZURZUBZWNIT-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001034400929 809600098 /nfs/dbraw/zinc/60/00/98/809600098.db2.gz YSPZURZUBZWNIT-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034400929 809600102 /nfs/dbraw/zinc/60/01/02/809600102.db2.gz YSPZURZUBZWNIT-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CO[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172115146 815302570 /nfs/dbraw/zinc/30/25/70/815302570.db2.gz VHVVJPBDWIJLIY-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172115146 815302576 /nfs/dbraw/zinc/30/25/76/815302576.db2.gz VHVVJPBDWIJLIY-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172115146 815302582 /nfs/dbraw/zinc/30/25/82/815302582.db2.gz VHVVJPBDWIJLIY-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172115146 815302589 /nfs/dbraw/zinc/30/25/89/815302589.db2.gz VHVVJPBDWIJLIY-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP CC[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529075 809624161 /nfs/dbraw/zinc/62/41/61/809624161.db2.gz WCQJAKHXRZNJAC-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)nc1)C2 ZINC001172115921 815305295 /nfs/dbraw/zinc/30/52/95/815305295.db2.gz GBRSUPUEFAZIBJ-BTTYYORXSA-N 2 1 263.360 2.326 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](CO)CC1)C2 ZINC001172119769 815308884 /nfs/dbraw/zinc/30/88/84/815308884.db2.gz HWDYPDYHBVUNRT-CAOSSQGBSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](CO)CC1)C2 ZINC001172119769 815308891 /nfs/dbraw/zinc/30/88/91/815308891.db2.gz HWDYPDYHBVUNRT-CAOSSQGBSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](CO)CC1)C2 ZINC001172119769 815308897 /nfs/dbraw/zinc/30/88/97/815308897.db2.gz HWDYPDYHBVUNRT-CAOSSQGBSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](CO)CC1)C2 ZINC001172119769 815308904 /nfs/dbraw/zinc/30/89/04/815308904.db2.gz HWDYPDYHBVUNRT-CAOSSQGBSA-N 2 1 266.429 2.096 20 0 CEADMP CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001034753872 809683891 /nfs/dbraw/zinc/68/38/91/809683891.db2.gz LZYAQXLYNXKXMX-FPCVCCKLSA-N 2 1 293.455 2.040 20 0 CEADMP CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001034753877 809683905 /nfs/dbraw/zinc/68/39/05/809683905.db2.gz LZYAQXLYNXKXMX-VGWMRTNUSA-N 2 1 293.455 2.040 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1C[C@@H]3C[C@@H]3[C@H](F)C1)C2 ZINC001172120663 815310169 /nfs/dbraw/zinc/31/01/69/815310169.db2.gz LJCQQQVPCQWYQL-JRULLXGZSA-N 2 1 252.377 2.292 20 0 CEADMP CC(C)[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001034959095 809725766 /nfs/dbraw/zinc/72/57/66/809725766.db2.gz RJXASFFEGHUJHH-HZPDHXFCSA-N 2 1 295.471 2.238 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+]3CCCC[C@@H]3C1)C2 ZINC001172122867 815313777 /nfs/dbraw/zinc/31/37/77/815313777.db2.gz UMFWIPLQDPTZJY-TWMKSMIVSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[N@@H+]3CCCC[C@@H]3C1)C2 ZINC001172122867 815313784 /nfs/dbraw/zinc/31/37/84/815313784.db2.gz UMFWIPLQDPTZJY-TWMKSMIVSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[N@H+]3CCCC[C@@H]3C1)C2 ZINC001172122867 815313791 /nfs/dbraw/zinc/31/37/91/815313791.db2.gz UMFWIPLQDPTZJY-TWMKSMIVSA-N 2 1 277.456 2.172 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[NH+]3CCC[C@@H]3C1)C2 ZINC001172122946 815314825 /nfs/dbraw/zinc/31/48/25/815314825.db2.gz WFDOEOSKUAVPTH-YYIAUSFCSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[N@@H+]3CCC[C@@H]3C1)C2 ZINC001172122946 815314831 /nfs/dbraw/zinc/31/48/31/815314831.db2.gz WFDOEOSKUAVPTH-YYIAUSFCSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[N@H+]3CCC[C@@H]3C1)C2 ZINC001172122946 815314836 /nfs/dbraw/zinc/31/48/36/815314836.db2.gz WFDOEOSKUAVPTH-YYIAUSFCSA-N 2 1 277.456 2.172 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H]2CC(C)(C)CO2)[C@H]1C ZINC000708358730 809927221 /nfs/dbraw/zinc/92/72/21/809927221.db2.gz HPSMARVWJXXONV-XJFOESAGSA-N 2 1 254.418 2.249 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H]2CC(C)(C)CO2)[C@H]1C ZINC000708358730 809927225 /nfs/dbraw/zinc/92/72/25/809927225.db2.gz HPSMARVWJXXONV-XJFOESAGSA-N 2 1 254.418 2.249 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C(C)(C)O1 ZINC000709702341 809954003 /nfs/dbraw/zinc/95/40/03/809954003.db2.gz MWYVTMXYRQXGSQ-BBRMVZONSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@H](OC3CCC3)C2)CCC[NH2+]C1 ZINC000709363210 809960544 /nfs/dbraw/zinc/96/05/44/809960544.db2.gz JGIQHEJKVXRSKB-JKSUJKDBSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)CCC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709800075 809970689 /nfs/dbraw/zinc/97/06/89/809970689.db2.gz OCMWGZBLXDQMCI-GHMZBOCLSA-N 2 1 252.324 2.492 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CSc2ccccc2C1 ZINC001172205425 815332367 /nfs/dbraw/zinc/33/23/67/815332367.db2.gz WKCHXRYCGSVGIY-WCQYABFASA-N 2 1 250.411 2.230 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCCCCC[NH3+])CC1 ZINC000710750496 809991676 /nfs/dbraw/zinc/99/16/76/809991676.db2.gz LWRJMXZVZNDVCT-UHFFFAOYSA-N 3 1 255.450 2.310 20 0 CEADMP CC(C)N1CCC([N@H+](C)CCCCCC[NH3+])CC1 ZINC000710750496 809991680 /nfs/dbraw/zinc/99/16/80/809991680.db2.gz LWRJMXZVZNDVCT-UHFFFAOYSA-N 2 1 255.450 2.310 20 0 CEADMP CC(C)N1CCC([N@@H+](C)CCCCCC[NH3+])CC1 ZINC000710750496 809991685 /nfs/dbraw/zinc/99/16/85/809991685.db2.gz LWRJMXZVZNDVCT-UHFFFAOYSA-N 2 1 255.450 2.310 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc2c(c1)OCCO2 ZINC000710840953 809995721 /nfs/dbraw/zinc/99/57/21/809995721.db2.gz CUASEBSHNDVGIS-UHFFFAOYSA-N 2 1 278.396 2.409 20 0 CEADMP CCC[NH+](CCC)CC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172229530 815342697 /nfs/dbraw/zinc/34/26/97/815342697.db2.gz WBACKFRFMGTFBH-GOOCMWNKSA-N 2 1 252.402 2.184 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000923360857 810089132 /nfs/dbraw/zinc/08/91/32/810089132.db2.gz BIOICYQVFPNKBR-ZMSDIMECSA-N 2 1 292.398 2.181 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000923371571 810089255 /nfs/dbraw/zinc/08/92/55/810089255.db2.gz YTERCDBTZCEBQO-XUJVJEKNSA-N 2 1 250.361 2.344 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923359794 810089271 /nfs/dbraw/zinc/08/92/71/810089271.db2.gz VHFXLOMKDRVJPU-ULQDDVLXSA-N 2 1 282.472 2.495 20 0 CEADMP CCc1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)o1 ZINC000923383586 810090287 /nfs/dbraw/zinc/09/02/87/810090287.db2.gz UITYJJJLLXCIAO-SRVKXCTJSA-N 2 1 251.374 2.042 20 0 CEADMP CCc1ncc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)o1 ZINC000923383586 810090293 /nfs/dbraw/zinc/09/02/93/810090293.db2.gz UITYJJJLLXCIAO-SRVKXCTJSA-N 2 1 251.374 2.042 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC[NH2+]CC2 ZINC000923384479 810090578 /nfs/dbraw/zinc/09/05/78/810090578.db2.gz YQJVWZOBNZRKOJ-XYTVBORESA-N 3 1 291.483 2.371 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001079849795 810236312 /nfs/dbraw/zinc/23/63/12/810236312.db2.gz ZQIWDQRDPCMNFB-OWCLPIDISA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079849795 810236314 /nfs/dbraw/zinc/23/63/14/810236314.db2.gz ZQIWDQRDPCMNFB-OWCLPIDISA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079849795 810236316 /nfs/dbraw/zinc/23/63/16/810236316.db2.gz ZQIWDQRDPCMNFB-OWCLPIDISA-N 2 1 295.471 2.094 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001015052071 810256711 /nfs/dbraw/zinc/25/67/11/810256711.db2.gz HSTPXJBGWXVFAH-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](F)CC2)CC1 ZINC001172252592 815358284 /nfs/dbraw/zinc/35/82/84/815358284.db2.gz QKYUGHMTVRBITA-CQSZACIVSA-N 2 1 272.408 2.311 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](F)CC2)CC1 ZINC001172252592 815358291 /nfs/dbraw/zinc/35/82/91/815358291.db2.gz QKYUGHMTVRBITA-CQSZACIVSA-N 2 1 272.408 2.311 20 0 CEADMP COCCC[NH+]1CCC([NH+]2CCC(SC)CC2)CC1 ZINC001172255903 815360977 /nfs/dbraw/zinc/36/09/77/815360977.db2.gz NUELQBBEOIPSOS-UHFFFAOYSA-N 2 1 286.485 2.315 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c2ccccc21 ZINC001206163332 815361942 /nfs/dbraw/zinc/36/19/42/815361942.db2.gz BPYGVYJRFMXILM-CABCVRRESA-N 2 1 275.371 2.440 20 0 CEADMP Cn1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c2ccccc21 ZINC001206163332 815361948 /nfs/dbraw/zinc/36/19/48/815361948.db2.gz BPYGVYJRFMXILM-CABCVRRESA-N 2 1 275.371 2.440 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]C[C@@H](C)CC)C1 ZINC001164449781 810372133 /nfs/dbraw/zinc/37/21/33/810372133.db2.gz RHSCPMLXOJKMTE-HOTGVXAUSA-N 2 1 297.487 2.250 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001015932392 810373510 /nfs/dbraw/zinc/37/35/10/810373510.db2.gz VKXIWNCIRPRXEA-HNNXBMFYSA-N 2 1 298.390 2.086 20 0 CEADMP CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082559522 810387186 /nfs/dbraw/zinc/38/71/86/810387186.db2.gz IDHNAUMZCSLTNO-BZUAXINKSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001082783364 810399211 /nfs/dbraw/zinc/39/92/11/810399211.db2.gz TYGLQHQEOFTEKH-BZUAXINKSA-N 2 1 295.471 2.094 20 0 CEADMP CC[C@@H](C)OCC[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC001172315055 815367901 /nfs/dbraw/zinc/36/79/01/815367901.db2.gz AYPPSMZAUYKZGY-QWHCGFSZSA-N 2 1 253.390 2.375 20 0 CEADMP CC(C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001017735092 810546513 /nfs/dbraw/zinc/54/65/13/810546513.db2.gz BIFCOMOBRQFMQK-IYBDPMFKSA-N 2 1 298.390 2.032 20 0 CEADMP CCCC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CC)C2)C1 ZINC001122021638 815378464 /nfs/dbraw/zinc/37/84/64/815378464.db2.gz CACZLMOOAVEXAW-UHFFFAOYSA-N 2 1 295.471 2.145 20 0 CEADMP CCc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)on1 ZINC001205985626 810728685 /nfs/dbraw/zinc/72/86/85/810728685.db2.gz ZBBPMIKSWKBTDE-NWDGAFQWSA-N 2 1 251.374 2.044 20 0 CEADMP C(c1ccc(C[NH+]2CCOCC2)cc1)=C1CC[NH2+]CC1 ZINC001240876402 810812824 /nfs/dbraw/zinc/81/28/24/810812824.db2.gz ZIIHCTMVSYSJFL-UHFFFAOYSA-N 2 1 272.392 2.286 20 0 CEADMP CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001085594935 810844451 /nfs/dbraw/zinc/84/44/51/810844451.db2.gz SSKJTLABJXZKLE-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085594935 810844457 /nfs/dbraw/zinc/84/44/57/810844457.db2.gz SSKJTLABJXZKLE-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085594935 810844462 /nfs/dbraw/zinc/84/44/62/810844462.db2.gz SSKJTLABJXZKLE-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C(C)C ZINC001038908369 810943552 /nfs/dbraw/zinc/94/35/52/810943552.db2.gz JBYJLJFJGMXBNO-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C(C)C ZINC001038908369 810943559 /nfs/dbraw/zinc/94/35/59/810943559.db2.gz JBYJLJFJGMXBNO-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C(C)C ZINC001038908369 810943564 /nfs/dbraw/zinc/94/35/64/810943564.db2.gz JBYJLJFJGMXBNO-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)CC[N@H+]2C1 ZINC000723661386 811026884 /nfs/dbraw/zinc/02/68/84/811026884.db2.gz FLIVOTIIYIMRRX-ZHCJQAHYSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@@H+]1CC=C(c2cccc(CN3CCOCC3)c2)CC1 ZINC001241327587 811059818 /nfs/dbraw/zinc/05/98/18/811059818.db2.gz PBLCHMGAQHXFGF-UHFFFAOYSA-N 2 1 272.392 2.238 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc3c(cn2)OCCC3)CCC[C@@H]1C[NH3+] ZINC001205996067 811307256 /nfs/dbraw/zinc/30/72/56/811307256.db2.gz UKUWNKQWESTCTP-DZGCQCFKSA-N 2 1 289.423 2.213 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCC[NH+]1CCCCCC1)C2 ZINC001169094568 811367283 /nfs/dbraw/zinc/36/72/83/811367283.db2.gz MQXIIONGLLHPRL-PHZGNYQRSA-N 2 1 265.445 2.077 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccccc3[C@H]1O)C2 ZINC001169099679 811372643 /nfs/dbraw/zinc/37/26/43/811372643.db2.gz DURQDTKBNWDJFO-JAPOXJDPSA-N 2 1 286.419 2.250 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)C2 ZINC001169081556 811377320 /nfs/dbraw/zinc/37/73/20/811377320.db2.gz SVHBWVJBYFQODS-WCXIOVBPSA-N 2 1 274.408 2.109 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCOC(C)(C)C)C2 ZINC001169116908 811384866 /nfs/dbraw/zinc/38/48/66/811384866.db2.gz SVYOYTUMSKKNEM-ZSOGYDGISA-N 2 1 254.418 2.406 20 0 CEADMP CCOC(=O)[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169119892 811385621 /nfs/dbraw/zinc/38/56/21/811385621.db2.gz XWLOOGWGBOOHRB-ARKGTOAJSA-N 2 1 294.439 2.323 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccn1 ZINC001169118311 811386556 /nfs/dbraw/zinc/38/65/56/811386556.db2.gz HFVKFQOMVCGWGS-CYUUQNCZSA-N 2 1 275.396 2.366 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccn1 ZINC001169118311 811386567 /nfs/dbraw/zinc/38/65/67/811386567.db2.gz HFVKFQOMVCGWGS-CYUUQNCZSA-N 2 1 275.396 2.366 20 0 CEADMP CSC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169142863 811408706 /nfs/dbraw/zinc/40/87/06/811408706.db2.gz WYCCSVGQIWCBKL-CLLJXQQHSA-N 2 1 254.443 2.439 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169152229 811414830 /nfs/dbraw/zinc/41/48/30/811414830.db2.gz BKSIVDZILKWHSX-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169152229 811414835 /nfs/dbraw/zinc/41/48/35/811414835.db2.gz BKSIVDZILKWHSX-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169152229 811414841 /nfs/dbraw/zinc/41/48/41/811414841.db2.gz BKSIVDZILKWHSX-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3(C1)C[C@H](F)CS3)C2 ZINC001169156244 811416690 /nfs/dbraw/zinc/41/66/90/811416690.db2.gz WKNMVLSXCJNGQI-WUHRBBMRSA-N 2 1 270.417 2.141 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3(C1)C[C@H](F)CS3)C2 ZINC001169156244 811416694 /nfs/dbraw/zinc/41/66/94/811416694.db2.gz WKNMVLSXCJNGQI-WUHRBBMRSA-N 2 1 270.417 2.141 20 0 CEADMP CC(C)C[NH+]1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001044004474 811424742 /nfs/dbraw/zinc/42/47/42/811424742.db2.gz MHRJNMBLWKKXLC-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c(N)cccc2F)CCC[C@@H]1C[NH3+] ZINC001206003853 811429247 /nfs/dbraw/zinc/42/92/47/811429247.db2.gz MYXNPBXWOOJTOK-VXGBXAGGSA-N 2 1 265.376 2.215 20 0 CEADMP CC[NH+]1CCC(n2cc(CC[NH3+])c3cnccc32)CC1 ZINC001169239241 811456771 /nfs/dbraw/zinc/45/67/71/811456771.db2.gz UDSXMYCNTVPUOY-UHFFFAOYSA-N 2 1 272.396 2.194 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2Cc3ccc(F)cc3C2)CC1 ZINC001169241529 811458269 /nfs/dbraw/zinc/45/82/69/811458269.db2.gz OJMJMECGQGDHIV-MRXNPFEDSA-N 2 1 262.372 2.367 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2C3CCC(CC3)[C@@H]2C(=O)OC)CC1 ZINC001169241944 811458879 /nfs/dbraw/zinc/45/88/79/811458879.db2.gz VHHQXSQSIHPJAH-BGHVQYPCSA-N 2 1 294.439 2.038 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001169258973 811467991 /nfs/dbraw/zinc/46/79/91/811467991.db2.gz WUETWWWRGMGMPJ-ZDUSSCGKSA-N 2 1 282.428 2.134 20 0 CEADMP CC[NH+]1CCC([N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001169258973 811467997 /nfs/dbraw/zinc/46/79/97/811467997.db2.gz WUETWWWRGMGMPJ-ZDUSSCGKSA-N 2 1 282.428 2.134 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)N1CCC([N@@H+](C)CC)CC1 ZINC001169490274 811549044 /nfs/dbraw/zinc/54/90/44/811549044.db2.gz PTUMHLBDIRDTND-CQSZACIVSA-N 2 1 283.460 2.050 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC([N@H+](C)CC)CC1 ZINC001169490274 811549049 /nfs/dbraw/zinc/54/90/49/811549049.db2.gz PTUMHLBDIRDTND-CQSZACIVSA-N 2 1 283.460 2.050 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001169490274 811549054 /nfs/dbraw/zinc/54/90/54/811549054.db2.gz PTUMHLBDIRDTND-CQSZACIVSA-N 2 1 283.460 2.050 20 0 CEADMP COc1cc2[nH+]ccn2cc1NCC12CC[NH+](CC1)CC2 ZINC001169802425 811666703 /nfs/dbraw/zinc/66/67/03/811666703.db2.gz OETUPPSGWRGFMD-UHFFFAOYSA-N 2 1 286.379 2.241 20 0 CEADMP CN(C)c1cc[nH+]c(NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC001156380354 811677626 /nfs/dbraw/zinc/67/76/26/811677626.db2.gz ZOFJUJHMUMBORF-CYBMUJFWSA-N 2 1 262.401 2.291 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)CCC[C@H]1C[NH3+] ZINC001206023566 811690968 /nfs/dbraw/zinc/69/09/68/811690968.db2.gz FUZZNJBKERUDOZ-ZFWWWQNUSA-N 3 1 273.424 2.097 20 0 CEADMP CCOc1ncc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1F ZINC001206023319 811698811 /nfs/dbraw/zinc/69/88/11/811698811.db2.gz FUPFTXSSXJASDK-TZMCWYRMSA-N 2 1 295.402 2.426 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c(F)ccc(O)c2F)CCC[C@H]1C[NH3+] ZINC001206024883 811706715 /nfs/dbraw/zinc/70/67/15/811706715.db2.gz LOTXJAWWVIFMQI-QWRGUYRKSA-N 2 1 284.350 2.477 20 0 CEADMP CCCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046569798 811777367 /nfs/dbraw/zinc/77/73/67/811777367.db2.gz OBLRAGOLBFDCFF-ZOBUZTSGSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046569798 811777372 /nfs/dbraw/zinc/77/73/72/811777372.db2.gz OBLRAGOLBFDCFF-ZOBUZTSGSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001046569798 811777377 /nfs/dbraw/zinc/77/73/77/811777377.db2.gz OBLRAGOLBFDCFF-ZOBUZTSGSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(F)c2N)CCC[C@H]1C[NH3+] ZINC001206027853 811884466 /nfs/dbraw/zinc/88/44/66/811884466.db2.gz WXRMMLUWTJRSGL-RYUDHWBXSA-N 2 1 265.376 2.215 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C3CC(C)(C)OC(C)(C)C3)C[C@@H]2C1 ZINC001172658902 815483988 /nfs/dbraw/zinc/48/39/88/815483988.db2.gz HEIRJNSGMSQURU-BETUJISGSA-N 2 1 266.429 2.216 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C3CC(C)(C)OC(C)(C)C3)C[C@@H]2C1 ZINC001172658902 815483991 /nfs/dbraw/zinc/48/39/91/815483991.db2.gz HEIRJNSGMSQURU-BETUJISGSA-N 2 1 266.429 2.216 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C3CC(C)(C)OC(C)(C)C3)C[C@@H]2C1 ZINC001172658902 815483994 /nfs/dbraw/zinc/48/39/94/815483994.db2.gz HEIRJNSGMSQURU-BETUJISGSA-N 2 1 266.429 2.216 20 0 CEADMP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674045 811925921 /nfs/dbraw/zinc/92/59/21/811925921.db2.gz YKAWVGKIJJGRSH-OMJOCJKRSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)CCC[C@H](C)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001170088456 812117382 /nfs/dbraw/zinc/11/73/82/812117382.db2.gz SVEWBTQLYQLEDF-INIZCTEOSA-N 2 1 269.477 2.380 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001112969459 812130837 /nfs/dbraw/zinc/13/08/37/812130837.db2.gz HQJGXSMBAWGXMB-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001112969459 812130841 /nfs/dbraw/zinc/13/08/41/812130841.db2.gz HQJGXSMBAWGXMB-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001172768103 815513179 /nfs/dbraw/zinc/51/31/79/815513179.db2.gz OIJBZUJKSGEBBR-QLFBSQMISA-N 2 1 282.428 2.182 20 0 CEADMP CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049708286 812196751 /nfs/dbraw/zinc/19/67/51/812196751.db2.gz FPULUDIKHBSMAH-ARFHVFGLSA-N 2 1 295.471 2.048 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001172768370 815514636 /nfs/dbraw/zinc/51/46/36/815514636.db2.gz RZFOLOGFLBCPLJ-XHSDSOJGSA-N 2 1 296.455 2.430 20 0 CEADMP CC[C@@H]1C[C@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)CCO1 ZINC001170192706 812333325 /nfs/dbraw/zinc/33/33/25/812333325.db2.gz DVVRBDVQNOEKAJ-HZPDHXFCSA-N 2 1 289.423 2.289 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)CC1 ZINC001172792643 815523847 /nfs/dbraw/zinc/52/38/47/815523847.db2.gz QIXVNDWAKMEDDW-RBSFLKMASA-N 2 1 282.428 2.182 20 0 CEADMP C[C@@H](Cc1ccccc1Cl)[NH+]1CCN(CCC[NH3+])CC1 ZINC001170256963 812363399 /nfs/dbraw/zinc/36/33/99/812363399.db2.gz PKOOCADDTSKQFL-AWEZNQCLSA-N 2 1 295.858 2.237 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H](n2cc[nH+]c2CCC[NH3+])CC1 ZINC001172786150 815521454 /nfs/dbraw/zinc/52/14/54/815521454.db2.gz QOOCBFBKGVVRIG-QWHCGFSZSA-N 2 1 279.384 2.069 20 0 CEADMP CCC[N@@H+](C1CCN(C(C)=O)CC1)[C@H]1CCC[NH+](C)CC1 ZINC001254530594 812448716 /nfs/dbraw/zinc/44/87/16/812448716.db2.gz ZGZRUZSLLFTGEZ-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C1CCN(C(C)=O)CC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254530594 812448720 /nfs/dbraw/zinc/44/87/20/812448720.db2.gz ZGZRUZSLLFTGEZ-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C1CCN(C(C)=O)CC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254530594 812448724 /nfs/dbraw/zinc/44/87/24/812448724.db2.gz ZGZRUZSLLFTGEZ-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001052713240 812449563 /nfs/dbraw/zinc/44/95/63/812449563.db2.gz UIMYSUQSVSGVJD-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001052713240 812449564 /nfs/dbraw/zinc/44/95/64/812449564.db2.gz UIMYSUQSVSGVJD-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001052713240 812449569 /nfs/dbraw/zinc/44/95/69/812449569.db2.gz UIMYSUQSVSGVJD-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052716513 812450829 /nfs/dbraw/zinc/45/08/29/812450829.db2.gz NVWFKEQTOKDRIX-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001052716513 812450832 /nfs/dbraw/zinc/45/08/32/812450832.db2.gz NVWFKEQTOKDRIX-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001052716513 812450834 /nfs/dbraw/zinc/45/08/34/812450834.db2.gz NVWFKEQTOKDRIX-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C2CCC(Cc3ccccc3)CC2)CCO1 ZINC001172818775 815527693 /nfs/dbraw/zinc/52/76/93/815527693.db2.gz RVXVUCCYSINAAJ-DAWZGUTISA-N 2 1 288.435 2.447 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C2CCC(Cc3ccccc3)CC2)CCO1 ZINC001172818775 815527695 /nfs/dbraw/zinc/52/76/95/815527695.db2.gz RVXVUCCYSINAAJ-DAWZGUTISA-N 2 1 288.435 2.447 20 0 CEADMP CC/C=C\CC[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129422721 812493288 /nfs/dbraw/zinc/49/32/88/812493288.db2.gz LGWJJPZPLSTHLR-KJPDOMRESA-N 2 1 295.471 2.311 20 0 CEADMP CC(C)CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129417438 812493308 /nfs/dbraw/zinc/49/33/08/812493308.db2.gz OCEXCEOZFKMQLD-MRXNPFEDSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130710754 812599352 /nfs/dbraw/zinc/59/93/52/812599352.db2.gz CWYXNQPNVYRRHV-MRXNPFEDSA-N 2 1 297.487 2.249 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCC(C)(C)C ZINC001130710837 812600618 /nfs/dbraw/zinc/60/06/18/812600618.db2.gz GOWIXMPRCBMXPW-OAHLLOKOSA-N 2 1 297.487 2.249 20 0 CEADMP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC001170540652 812639307 /nfs/dbraw/zinc/63/93/07/812639307.db2.gz SWXJZKPRPBLOHV-ZBFHGGJFSA-N 2 1 294.439 2.278 20 0 CEADMP Cc1cc(C(F)(F)F)cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)[nH+]1 ZINC001170557718 812663093 /nfs/dbraw/zinc/66/30/93/812663093.db2.gz GHMRUIOEOVPWAW-ONGXEEELSA-N 2 1 289.301 2.198 20 0 CEADMP CC(C)C[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132105770 812788135 /nfs/dbraw/zinc/78/81/35/812788135.db2.gz MUKNLPSDAONPQK-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCC[C@H](OC)C2)CC1 ZINC001172940283 815554285 /nfs/dbraw/zinc/55/42/85/815554285.db2.gz WZZIJIWUQUUVMZ-GJZGRUSLSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCC[C@H](OC)C2)CC1 ZINC001172940283 815554288 /nfs/dbraw/zinc/55/42/88/815554288.db2.gz WZZIJIWUQUUVMZ-GJZGRUSLSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001050368152 812810314 /nfs/dbraw/zinc/81/03/14/812810314.db2.gz UMIJHOUPBWFLKW-JYJNAYRXSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC1CCCC1 ZINC001132266504 812812689 /nfs/dbraw/zinc/81/26/89/812812689.db2.gz XSQICKYIVIZPLS-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC/C=C\CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277029 812818131 /nfs/dbraw/zinc/81/81/31/812818131.db2.gz AFWMWOSMFJUAFP-JTUDCUDASA-N 2 1 295.471 2.264 20 0 CEADMP CCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132278028 812818821 /nfs/dbraw/zinc/81/88/21/812818821.db2.gz LIOGGBZPWQDFJW-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC(C)C)C1 ZINC001132377341 812837250 /nfs/dbraw/zinc/83/72/50/812837250.db2.gz WUINEUCUCWPDGP-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CCOC(=O)Cc1cc[nH+]c(N[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC001170618970 812866652 /nfs/dbraw/zinc/86/66/52/812866652.db2.gz PTWCPLGVPMDXHE-UONOGXRCSA-N 2 1 291.395 2.177 20 0 CEADMP CC(C)CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132518903 812870378 /nfs/dbraw/zinc/87/03/78/812870378.db2.gz PYZIYRDHCWBKBE-JKSUJKDBSA-N 2 1 297.487 2.342 20 0 CEADMP CC(C)CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132518903 812870389 /nfs/dbraw/zinc/87/03/89/812870389.db2.gz PYZIYRDHCWBKBE-JKSUJKDBSA-N 2 1 297.487 2.342 20 0 CEADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132518779 812871271 /nfs/dbraw/zinc/87/12/71/812871271.db2.gz NXTOXSFOUFSIIM-JKSUJKDBSA-N 2 1 295.471 2.262 20 0 CEADMP CC(C)=CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132518779 812871280 /nfs/dbraw/zinc/87/12/80/812871280.db2.gz NXTOXSFOUFSIIM-JKSUJKDBSA-N 2 1 295.471 2.262 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](C(C)C)CC1 ZINC001052425723 812989743 /nfs/dbraw/zinc/98/97/43/812989743.db2.gz BQXVYDJMAVAMDS-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC001052425723 812989749 /nfs/dbraw/zinc/98/97/49/812989749.db2.gz BQXVYDJMAVAMDS-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](C(C)C)CC1 ZINC001052425723 812989754 /nfs/dbraw/zinc/98/97/54/812989754.db2.gz BQXVYDJMAVAMDS-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP [NH3+][C@H]1CCC[N@H+](C2CCC3(CCOCC3)CC2)C1 ZINC001173040878 815568814 /nfs/dbraw/zinc/56/88/14/815568814.db2.gz MPLWOBHTQMSHGX-ZDUSSCGKSA-N 2 1 252.402 2.149 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052618983 813012622 /nfs/dbraw/zinc/01/26/22/813012622.db2.gz BNKTWHLUFMLHSF-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001133263554 813019623 /nfs/dbraw/zinc/01/96/23/813019623.db2.gz XNGYDZKYLOXNLG-HOTGVXAUSA-N 2 1 297.487 2.203 20 0 CEADMP Cc1ccc2c(CC[NH3+])cn([C@H]3CC[N@H+](C)C3)c2c1 ZINC001255411842 813085973 /nfs/dbraw/zinc/08/59/73/813085973.db2.gz LONPKDYSOXFKCQ-AWEZNQCLSA-N 2 1 257.381 2.328 20 0 CEADMP CSCC1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000385612065 813139963 /nfs/dbraw/zinc/13/99/63/813139963.db2.gz CAZPCOYTUYFCQB-SSHXOBKSSA-N 2 1 298.496 2.361 20 0 CEADMP CSCC1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000385612065 813139968 /nfs/dbraw/zinc/13/99/68/813139968.db2.gz CAZPCOYTUYFCQB-SSHXOBKSSA-N 2 1 298.496 2.361 20 0 CEADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCCN1[C@H]1CC[N@H+](C)C1 ZINC001255444782 813213946 /nfs/dbraw/zinc/21/39/46/813213946.db2.gz QKAOSRMLXWRULY-JYJNAYRXSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+]1CC[C@H](N2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001255444782 813213951 /nfs/dbraw/zinc/21/39/51/813213951.db2.gz QKAOSRMLXWRULY-JYJNAYRXSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+]1CC[C@H](N2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001255444782 813213955 /nfs/dbraw/zinc/21/39/55/813213955.db2.gz QKAOSRMLXWRULY-JYJNAYRXSA-N 2 1 265.445 2.029 20 0 CEADMP CCOc1cccc(C[NH+]2C[C@H]3C[NH+](CC)C[C@@H]3C2)c1 ZINC001138103907 813260715 /nfs/dbraw/zinc/26/07/15/813260715.db2.gz JUHIHQSXHSHWBT-HZPDHXFCSA-N 2 1 274.408 2.469 20 0 CEADMP C[C@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607697 813298127 /nfs/dbraw/zinc/29/81/27/813298127.db2.gz JWLXMNMVIBIRHO-UONOGXRCSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H](C[C@@H](C)[NH2+]CC1CCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608658 813298821 /nfs/dbraw/zinc/29/88/21/813298821.db2.gz YWGSAPWMECENBG-ZIAGYGMSSA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134762952 813321794 /nfs/dbraw/zinc/32/17/94/813321794.db2.gz ITIAXHCGUQMDDV-CABCVRRESA-N 2 1 283.460 2.001 20 0 CEADMP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773376 813323740 /nfs/dbraw/zinc/32/37/40/813323740.db2.gz ODHPRWCTNLOTFU-ZIAGYGMSSA-N 2 1 285.476 2.390 20 0 CEADMP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135006894 813351193 /nfs/dbraw/zinc/35/11/93/813351193.db2.gz ACOBUCZTHFDRBQ-KGLIPLIRSA-N 2 1 294.443 2.255 20 0 CEADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@H]2CCCOCC2)CC1 ZINC001170800474 813380517 /nfs/dbraw/zinc/38/05/17/813380517.db2.gz BVEIXRNAMLKFOE-JYJNAYRXSA-N 2 1 296.455 2.306 20 0 CEADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@@H]2CCCOCC2)C1 ZINC001170803404 813387970 /nfs/dbraw/zinc/38/79/70/813387970.db2.gz INVUCVSDUHXHEN-LSDHHAIUSA-N 2 1 254.418 2.397 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCCC[NH3+] ZINC000394385978 813392003 /nfs/dbraw/zinc/39/20/03/813392003.db2.gz WAWQUPPXFLNXMB-CABCVRRESA-N 2 1 253.434 2.064 20 0 CEADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170824296 813467486 /nfs/dbraw/zinc/46/74/86/813467486.db2.gz YBUKCVVJOLQJFW-HNNXBMFYSA-N 2 1 289.423 2.498 20 0 CEADMP CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135599931 813475640 /nfs/dbraw/zinc/47/56/40/813475640.db2.gz HMXSLBBYEHEMRM-KBPBESRZSA-N 2 1 294.443 2.289 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC ZINC001135691636 813504554 /nfs/dbraw/zinc/50/45/54/813504554.db2.gz XUHYLTMMMIEVMQ-HUUCEWRRSA-N 2 1 285.476 2.391 20 0 CEADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170862888 813559543 /nfs/dbraw/zinc/55/95/43/813559543.db2.gz PRALPTVYZDRSII-IIAWOOMASA-N 2 1 295.471 2.001 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCN(C)c1ccccc1 ZINC000396641520 813578290 /nfs/dbraw/zinc/57/82/90/813578290.db2.gz PFARLFHFOQORAF-GOEBONIOSA-N 2 1 261.413 2.243 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000396686951 813581185 /nfs/dbraw/zinc/58/11/85/813581185.db2.gz YRZUUPKKQDGLNN-SZMVWBNQSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246081076 813674678 /nfs/dbraw/zinc/67/46/78/813674678.db2.gz QXHMFUNKKOMNKY-ZOWXZIJZSA-N 2 1 250.361 2.487 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC[NH2+]1 ZINC001246093832 813683141 /nfs/dbraw/zinc/68/31/41/813683141.db2.gz XGPZIFOGYOLFFA-FQUUOJAGSA-N 3 1 253.434 2.013 20 0 CEADMP CCCC[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246119382 813706874 /nfs/dbraw/zinc/70/68/74/813706874.db2.gz JZDHKVBRPKZLCB-ZJIFWQFVSA-N 3 1 267.461 2.132 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4cccc(F)c34)C[C@@H]2C1 ZINC001136985476 813813300 /nfs/dbraw/zinc/81/33/00/813813300.db2.gz IIBXEIYNBJNNLG-BETUJISGSA-N 2 1 273.355 2.300 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4cccc(F)c34)C[C@@H]2C1 ZINC001136985476 813813313 /nfs/dbraw/zinc/81/33/13/813813313.db2.gz IIBXEIYNBJNNLG-BETUJISGSA-N 2 1 273.355 2.300 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4cccc(F)c34)C[C@@H]2C1 ZINC001136985476 813813328 /nfs/dbraw/zinc/81/33/28/813813328.db2.gz IIBXEIYNBJNNLG-BETUJISGSA-N 2 1 273.355 2.300 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4cccc(F)c34)C[C@@H]2C1 ZINC001136985476 813813341 /nfs/dbraw/zinc/81/33/41/813813341.db2.gz IIBXEIYNBJNNLG-BETUJISGSA-N 2 1 273.355 2.300 20 0 CEADMP CC(C)[NH2+]CC[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001246455053 813828908 /nfs/dbraw/zinc/82/89/08/813828908.db2.gz WFALWJUOAKJKIT-ZDUSSCGKSA-N 2 1 268.351 2.410 20 0 CEADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]2C1 ZINC001137030786 813844296 /nfs/dbraw/zinc/84/42/96/813844296.db2.gz MPMPVXDOUBXKLU-CALCHBBNSA-N 2 1 272.392 2.100 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]2C1 ZINC001137030786 813844307 /nfs/dbraw/zinc/84/43/07/813844307.db2.gz MPMPVXDOUBXKLU-CALCHBBNSA-N 2 1 272.392 2.100 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@@H]2C1 ZINC001137030786 813844317 /nfs/dbraw/zinc/84/43/17/813844317.db2.gz MPMPVXDOUBXKLU-CALCHBBNSA-N 2 1 272.392 2.100 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@@H]2C1 ZINC001137030786 813844326 /nfs/dbraw/zinc/84/43/26/813844326.db2.gz MPMPVXDOUBXKLU-CALCHBBNSA-N 2 1 272.392 2.100 20 0 CEADMP CCCC1CCC([NH2+][C@H]2C[NH2+][C@H](COC)C2)CC1 ZINC001246466547 813851787 /nfs/dbraw/zinc/85/17/87/813851787.db2.gz QVAUQVBLUAKOIK-CVSAEHQPSA-N 2 1 254.418 2.312 20 0 CEADMP C1CC2(C1)C[C@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)CC[NH2+]2 ZINC001246522180 813889367 /nfs/dbraw/zinc/88/93/67/813889367.db2.gz IPJWLBAWUPOMIV-OAHLLOKOSA-N 3 1 277.456 2.127 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC ZINC001171122319 813902801 /nfs/dbraw/zinc/90/28/01/813902801.db2.gz YJNIZNBHHRINPS-LSDHHAIUSA-N 2 1 283.460 2.145 20 0 CEADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225660 813995146 /nfs/dbraw/zinc/99/51/46/813995146.db2.gz YLDSPHANFPRRNU-HUUCEWRRSA-N 2 1 297.487 2.199 20 0 CEADMP CC(C)OC(=O)CC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246557331 814033297 /nfs/dbraw/zinc/03/32/97/814033297.db2.gz KNWCFACNGVBEMU-SOUVJXGZSA-N 2 1 284.444 2.414 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](C2Cc3ccccc3C2)CCC1(F)F ZINC001246556800 814035686 /nfs/dbraw/zinc/03/56/86/814035686.db2.gz GGLMNUQLLGGGPP-ZDUSSCGKSA-N 2 1 266.335 2.070 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)OC)CC1 ZINC001255968950 814065602 /nfs/dbraw/zinc/06/56/02/814065602.db2.gz OOXCCPRAJVVQHJ-HUUCEWRRSA-N 2 1 284.444 2.382 20 0 CEADMP C[NH+](C)Cc1c(F)cc(NCC(C)(C)[NH3+])cc1F ZINC001171194422 814089264 /nfs/dbraw/zinc/08/92/64/814089264.db2.gz MJZRXIQJQHFMKY-UHFFFAOYSA-N 2 1 257.328 2.176 20 0 CEADMP C[C@@H]1C[N@H+](C2C[C@@H]3CC(=O)C[C@H]3C2)CCC[C@H]1C[NH3+] ZINC001246570823 814090144 /nfs/dbraw/zinc/09/01/44/814090144.db2.gz WAKOBDIAIFEXBF-XJFOESAGSA-N 2 1 264.413 2.051 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C(C)(C)N1O ZINC001256069330 814102185 /nfs/dbraw/zinc/10/21/85/814102185.db2.gz ANLIHYBJQOAXDX-CQSZACIVSA-N 2 1 281.444 2.224 20 0 CEADMP CCCCOC(=O)CC[C@@H](C)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246574453 814109997 /nfs/dbraw/zinc/10/99/97/814109997.db2.gz VDRFWAOFSQNJJL-ZIAGYGMSSA-N 2 1 270.417 2.040 20 0 CEADMP CCCCOC(=O)CC[C@@H](C)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246574453 814110002 /nfs/dbraw/zinc/11/00/02/814110002.db2.gz VDRFWAOFSQNJJL-ZIAGYGMSSA-N 2 1 270.417 2.040 20 0 CEADMP CC[N@@H+]1CCN(Cc2[nH+]cn3ccccc23)C(C)(C)C1 ZINC001144626793 814128778 /nfs/dbraw/zinc/12/87/78/814128778.db2.gz BLCPBCZTXMOZPT-UHFFFAOYSA-N 2 1 272.396 2.250 20 0 CEADMP CC[N@H+]1CCN(Cc2[nH+]cn3ccccc23)C(C)(C)C1 ZINC001144626793 814128780 /nfs/dbraw/zinc/12/87/80/814128780.db2.gz BLCPBCZTXMOZPT-UHFFFAOYSA-N 2 1 272.396 2.250 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CCC2CC2)C1 ZINC001100457319 814131316 /nfs/dbraw/zinc/13/13/16/814131316.db2.gz YSSCBPQFLJCMNB-UHFFFAOYSA-N 2 1 295.471 2.001 20 0 CEADMP C[N@H+]1CCN(Cc2ncn3ccccc23)C2(CCCC2)C1 ZINC001144627899 814134781 /nfs/dbraw/zinc/13/47/81/814134781.db2.gz ZHABIPJAWOCHAP-UHFFFAOYSA-N 2 1 284.407 2.395 20 0 CEADMP C[N@@H+]1CCN(Cc2[nH+]cn3ccccc23)C2(CCCC2)C1 ZINC001144627899 814134783 /nfs/dbraw/zinc/13/47/83/814134783.db2.gz ZHABIPJAWOCHAP-UHFFFAOYSA-N 2 1 284.407 2.395 20 0 CEADMP C[N@H+]1CCN(Cc2[nH+]cn3ccccc23)C2(CCCC2)C1 ZINC001144627899 814134787 /nfs/dbraw/zinc/13/47/87/814134787.db2.gz ZHABIPJAWOCHAP-UHFFFAOYSA-N 2 1 284.407 2.395 20 0 CEADMP COC1CCC([N@H+]2CCCC[C@](C)(C[NH3+])C2)CC1 ZINC001246587990 814175871 /nfs/dbraw/zinc/17/58/71/814175871.db2.gz XJDMHIKPINFZEN-YMAMQOFZSA-N 2 1 254.418 2.395 20 0 CEADMP C[C@@]1(C[NH3+])CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246598157 814195250 /nfs/dbraw/zinc/19/52/50/814195250.db2.gz ZXOMVVVALVKNGZ-DKUMPPAJSA-N 2 1 252.402 2.147 20 0 CEADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246619957 814217125 /nfs/dbraw/zinc/21/71/25/814217125.db2.gz VFLKQWPRQDTIOZ-QAETUUGQSA-N 2 1 281.488 2.473 20 0 CEADMP CC(C)CC[C@H](C)N1CC[NH+](CCCC[NH3+])CC1 ZINC001256360450 814237046 /nfs/dbraw/zinc/23/70/46/814237046.db2.gz GXLJRGNBXARHNU-HNNXBMFYSA-N 2 1 255.450 2.168 20 0 CEADMP CC[C@@H]([NH2+]CCNC(=O)CC[N@@H+](C)CC)c1ccccc1 ZINC001146711187 814311691 /nfs/dbraw/zinc/31/16/91/814311691.db2.gz QEUWEGGZKFRMHJ-MRXNPFEDSA-N 2 1 291.439 2.185 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC001146711453 814312250 /nfs/dbraw/zinc/31/22/50/814312250.db2.gz SFWJMWXQOIMSRO-HZPDHXFCSA-N 2 1 297.487 2.250 20 0 CEADMP CCC[C@H]1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CCN1 ZINC001246904800 814365922 /nfs/dbraw/zinc/36/59/22/814365922.db2.gz YQKYWLJZTIOOCX-HNNXBMFYSA-N 2 1 279.472 2.373 20 0 CEADMP CCC[C@H]1CN(C2CCC3(CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246904800 814365929 /nfs/dbraw/zinc/36/59/29/814365929.db2.gz YQKYWLJZTIOOCX-HNNXBMFYSA-N 2 1 279.472 2.373 20 0 CEADMP CC[C@@H](C)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102475341 814388224 /nfs/dbraw/zinc/38/82/24/814388224.db2.gz JMIAROIZKOPKCB-BZUAXINKSA-N 2 1 297.487 2.058 20 0 CEADMP C[C@H]1CC([N@H+](CCN(C)C)C2CC[NH2+]CC2)C[C@H](C)C1 ZINC001246992083 814508077 /nfs/dbraw/zinc/50/80/77/814508077.db2.gz XRCKTIDCRSRUHV-HUUCEWRRSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@H]1CC([N@@H+](CCN(C)C)C2CC[NH2+]CC2)C[C@H](C)C1 ZINC001246992083 814508081 /nfs/dbraw/zinc/50/80/81/814508081.db2.gz XRCKTIDCRSRUHV-HUUCEWRRSA-N 2 1 281.488 2.427 20 0 CEADMP CCCCC[C@H](C)[N@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001247008237 814517120 /nfs/dbraw/zinc/51/71/20/814517120.db2.gz MUFRREKYZIWJDE-LSDHHAIUSA-N 2 1 296.455 2.430 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ccccc1C ZINC001148638713 814598945 /nfs/dbraw/zinc/59/89/45/814598945.db2.gz OKQTZFSOZIVHOK-HNNXBMFYSA-N 2 1 291.439 2.104 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC001173109303 815582322 /nfs/dbraw/zinc/58/23/22/815582322.db2.gz GLFXJXANXRQAAE-NFOMZHRRSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCN(C(C)=O)[C@H](C)C2)CC1 ZINC001173113250 815583669 /nfs/dbraw/zinc/58/36/69/815583669.db2.gz LVGNFOMRUZVZDX-ODIFPOPNSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CCC2(CCC2)O1 ZINC000712449815 814748212 /nfs/dbraw/zinc/74/82/12/814748212.db2.gz GJRVVARMJWKGFO-KGLIPLIRSA-N 2 1 254.418 2.393 20 0 CEADMP C([C@@H]1CCC2(CCC2)O1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000712503557 814751492 /nfs/dbraw/zinc/75/14/92/814751492.db2.gz OOXPDBGYEBIKGV-GJZGRUSLSA-N 2 1 264.413 2.164 20 0 CEADMP C[NH+](C)C1(CNc2cc(N)[nH+]cn2)CCCCCC1 ZINC001115989591 814763555 /nfs/dbraw/zinc/76/35/55/814763555.db2.gz VJWAPRUSGDWUHV-UHFFFAOYSA-N 2 1 263.389 2.125 20 0 CEADMP C[N@@H+](CCCOC(F)(F)F)C1CCC([NH3+])CC1 ZINC000713395225 814850655 /nfs/dbraw/zinc/85/06/55/814850655.db2.gz HARAVAILXYZBHD-UHFFFAOYSA-N 2 1 254.296 2.115 20 0 CEADMP CC1(C)CC[C@H](C[N@@H+]2CCCCC[C@@H]([NH3+])C2)OC1 ZINC000713586726 814866668 /nfs/dbraw/zinc/86/66/68/814866668.db2.gz MYFXXQFHUDOYNA-ZIAGYGMSSA-N 2 1 254.418 2.395 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CCCCC[C@@H]([NH3+])C2)OC1 ZINC000713586726 814866672 /nfs/dbraw/zinc/86/66/72/814866672.db2.gz MYFXXQFHUDOYNA-ZIAGYGMSSA-N 2 1 254.418 2.395 20 0 CEADMP COCc1nc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)cs1 ZINC000714416309 814901522 /nfs/dbraw/zinc/90/15/22/814901522.db2.gz DZHGMMSFYCLHNF-UHFFFAOYSA-N 2 1 297.468 2.486 20 0 CEADMP CCn1ccnc1C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714430451 814902603 /nfs/dbraw/zinc/90/26/03/814902603.db2.gz RAKQZQFDWVROKG-UHFFFAOYSA-N 2 1 264.417 2.100 20 0 CEADMP CC[C@@H]1CC[C@@H]([N@@H+](CCC[NH+](C)C)CCC(=O)OC)C1 ZINC001173282389 815668779 /nfs/dbraw/zinc/66/87/79/815668779.db2.gz XUJAWETVSZZXOG-HUUCEWRRSA-N 2 1 284.444 2.382 20 0 CEADMP CC[N@H+](Cc1ccccc1C(=O)OC)C1CCN(C)CC1 ZINC001137789369 815684827 /nfs/dbraw/zinc/68/48/27/815684827.db2.gz SFHLADIHXBBTAB-UHFFFAOYSA-N 2 1 290.407 2.389 20 0 CEADMP CC[N@H+]1CC[C@H](N2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001173365422 815702681 /nfs/dbraw/zinc/70/26/81/815702681.db2.gz HRZALZGWPPDALN-GBESFXJTSA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001173365422 815702687 /nfs/dbraw/zinc/70/26/87/815702687.db2.gz HRZALZGWPPDALN-GBESFXJTSA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001173365422 815702692 /nfs/dbraw/zinc/70/26/92/815702692.db2.gz HRZALZGWPPDALN-GBESFXJTSA-N 2 1 299.462 2.287 20 0 CEADMP CC[N@@H+]1CC[C@@H](N2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC001173363499 815703203 /nfs/dbraw/zinc/70/32/03/815703203.db2.gz OJBCEAZAJFDDJO-IAGOWNOFSA-N 2 1 273.424 2.069 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC001173363499 815703206 /nfs/dbraw/zinc/70/32/06/815703206.db2.gz OJBCEAZAJFDDJO-IAGOWNOFSA-N 2 1 273.424 2.069 20 0 CEADMP CC[NH+]1CC[C@@H](N2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC001173363499 815703213 /nfs/dbraw/zinc/70/32/13/815703213.db2.gz OJBCEAZAJFDDJO-IAGOWNOFSA-N 2 1 273.424 2.069 20 0 CEADMP CC[NH+]1CC[C@@H](N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC001173363499 815703217 /nfs/dbraw/zinc/70/32/17/815703217.db2.gz OJBCEAZAJFDDJO-IAGOWNOFSA-N 2 1 273.424 2.069 20 0 CEADMP COc1ccc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206199061 815711647 /nfs/dbraw/zinc/71/16/47/815711647.db2.gz NOEWKPMGSKQOOR-LSDHHAIUSA-N 2 1 266.360 2.265 20 0 CEADMP CCC[N@@H+](CCC[NH3+])C1Cc2cc(F)c(F)cc2C1 ZINC001173475175 815724532 /nfs/dbraw/zinc/72/45/32/815724532.db2.gz JCWPEUBQXUDBKB-UHFFFAOYSA-N 2 1 268.351 2.493 20 0 CEADMP COC(=O)CCCC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001173462524 815740082 /nfs/dbraw/zinc/74/00/82/815740082.db2.gz VZOFWLGHYNYFQL-GDBMZVCRSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CCCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001173462524 815740085 /nfs/dbraw/zinc/74/00/85/815740085.db2.gz VZOFWLGHYNYFQL-GDBMZVCRSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CCCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001173462524 815740087 /nfs/dbraw/zinc/74/00/87/815740087.db2.gz VZOFWLGHYNYFQL-GDBMZVCRSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@H+](Cc1cccc2nccnc12)CC1CC[NH+](C)CC1 ZINC001138305175 815761965 /nfs/dbraw/zinc/76/19/65/815761965.db2.gz YRXJPIYHYVSSPL-UHFFFAOYSA-N 2 1 284.407 2.403 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC001173650527 815791014 /nfs/dbraw/zinc/79/10/14/815791014.db2.gz LSVJEFSCOWGXMY-XGUBFFRZSA-N 2 1 282.428 2.038 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC001173650527 815791020 /nfs/dbraw/zinc/79/10/20/815791020.db2.gz LSVJEFSCOWGXMY-XGUBFFRZSA-N 2 1 282.428 2.038 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](CC)CCC[NH+](C)C)C1 ZINC001173650623 815791115 /nfs/dbraw/zinc/79/11/15/815791115.db2.gz BEWAZSZLSXYKFZ-GJZGRUSLSA-N 2 1 284.444 2.382 20 0 CEADMP COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2C)cc1 ZINC001138543638 815821752 /nfs/dbraw/zinc/82/17/52/815821752.db2.gz SBSAHTORLPUZKP-MRXNPFEDSA-N 2 1 299.374 2.318 20 0 CEADMP CO[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3C)cc2)C[C@@H]1F ZINC001138544055 815823696 /nfs/dbraw/zinc/82/36/96/815823696.db2.gz BKLHCOGRLGPUFW-JKSUJKDBSA-N 2 1 289.354 2.349 20 0 CEADMP C[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)C1 ZINC001139320306 816003619 /nfs/dbraw/zinc/00/36/19/816003619.db2.gz RKKSRXDHOBQGMV-CYBMUJFWSA-N 2 1 294.468 2.127 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)C1 ZINC001139320306 816003627 /nfs/dbraw/zinc/00/36/27/816003627.db2.gz RKKSRXDHOBQGMV-CYBMUJFWSA-N 2 1 294.468 2.127 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@@]1(C)O ZINC001139356179 816011502 /nfs/dbraw/zinc/01/15/02/816011502.db2.gz HNNDBGGLCXMGQM-RHSMWYFYSA-N 2 1 285.391 2.465 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-n4ccnc4)cc3)C[C@@H]2C1 ZINC001139364465 816012608 /nfs/dbraw/zinc/01/26/08/816012608.db2.gz SFPLQKVNSHSJRX-CALCHBBNSA-N 2 1 296.418 2.256 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)C[C@@H]2C1 ZINC001139364465 816012615 /nfs/dbraw/zinc/01/26/15/816012615.db2.gz SFPLQKVNSHSJRX-CALCHBBNSA-N 2 1 296.418 2.256 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)C[C@@H]2C1 ZINC001139364465 816012622 /nfs/dbraw/zinc/01/26/22/816012622.db2.gz SFPLQKVNSHSJRX-CALCHBBNSA-N 2 1 296.418 2.256 20 0 CEADMP Cc1cc(O)cc(C)c1C[N@@H+](C)CCC[NH+](C)C ZINC001139713081 816091892 /nfs/dbraw/zinc/09/18/92/816091892.db2.gz RIUGSDUKIUKHOK-UHFFFAOYSA-N 2 1 250.386 2.393 20 0 CEADMP Cc1cc(O)cc(C)c1C[N@H+](C)CCC[NH+](C)C ZINC001139713081 816091896 /nfs/dbraw/zinc/09/18/96/816091896.db2.gz RIUGSDUKIUKHOK-UHFFFAOYSA-N 2 1 250.386 2.393 20 0 CEADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905879 816107229 /nfs/dbraw/zinc/10/72/29/816107229.db2.gz OWOXXTMUHXJHOD-PMPSAXMXSA-N 2 1 297.487 2.391 20 0 CEADMP COCc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)s1 ZINC001139826147 816120300 /nfs/dbraw/zinc/12/03/00/816120300.db2.gz MZRILSUUDGVGRP-OLZOCXBDSA-N 2 1 280.437 2.278 20 0 CEADMP COCc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)s1 ZINC001139826147 816120305 /nfs/dbraw/zinc/12/03/05/816120305.db2.gz MZRILSUUDGVGRP-OLZOCXBDSA-N 2 1 280.437 2.278 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4cnn(C)c4c3)C[C@@H]2C1 ZINC001139911113 816138389 /nfs/dbraw/zinc/13/83/89/816138389.db2.gz JCBSIKSZAYQWBF-IRXDYDNUSA-N 2 1 298.434 2.347 20 0 CEADMP Cn1ncc2ccc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)cc21 ZINC001139908031 816139261 /nfs/dbraw/zinc/13/92/61/816139261.db2.gz WQYMXYSUWNBZAF-UHFFFAOYSA-N 2 1 298.434 2.491 20 0 CEADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175255156 816162970 /nfs/dbraw/zinc/16/29/70/816162970.db2.gz DCOJPPZXQOFWAC-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3-c3cncnc3)C[C@@H]2C1 ZINC001140022627 816167927 /nfs/dbraw/zinc/16/79/27/816167927.db2.gz PEAWAUDDAWWQEO-CALCHBBNSA-N 2 1 294.402 2.137 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3-c3cncnc3)C[C@@H]2C1 ZINC001140022627 816167930 /nfs/dbraw/zinc/16/79/30/816167930.db2.gz PEAWAUDDAWWQEO-CALCHBBNSA-N 2 1 294.402 2.137 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3-c3cncnc3)C[C@@H]2C1 ZINC001140022627 816167934 /nfs/dbraw/zinc/16/79/34/816167934.db2.gz PEAWAUDDAWWQEO-CALCHBBNSA-N 2 1 294.402 2.137 20 0 CEADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(C)cc1O ZINC001140199199 816208557 /nfs/dbraw/zinc/20/85/57/816208557.db2.gz JIDMGGDZVJSXIH-ZBFHGGJFSA-N 2 1 274.408 2.393 20 0 CEADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(C)cc1O ZINC001140199199 816208561 /nfs/dbraw/zinc/20/85/61/816208561.db2.gz JIDMGGDZVJSXIH-ZBFHGGJFSA-N 2 1 274.408 2.393 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(C)cc1O ZINC001140199199 816208563 /nfs/dbraw/zinc/20/85/63/816208563.db2.gz JIDMGGDZVJSXIH-ZBFHGGJFSA-N 2 1 274.408 2.393 20 0 CEADMP Cc1ccc(Cl)nc1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001140445048 816255943 /nfs/dbraw/zinc/25/59/43/816255943.db2.gz WRRJXZGJMSZVJZ-OLZOCXBDSA-N 2 1 279.815 2.427 20 0 CEADMP Cc1ccc(Cl)nc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001140445048 816255945 /nfs/dbraw/zinc/25/59/45/816255945.db2.gz WRRJXZGJMSZVJZ-OLZOCXBDSA-N 2 1 279.815 2.427 20 0 CEADMP Cc1ccc(Cl)nc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001140445048 816255946 /nfs/dbraw/zinc/25/59/46/816255946.db2.gz WRRJXZGJMSZVJZ-OLZOCXBDSA-N 2 1 279.815 2.427 20 0 CEADMP Cc1ccc(Cl)nc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001140445048 816255948 /nfs/dbraw/zinc/25/59/48/816255948.db2.gz WRRJXZGJMSZVJZ-OLZOCXBDSA-N 2 1 279.815 2.427 20 0 CEADMP Cc1ccc(Cl)nc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001140445048 816255949 /nfs/dbraw/zinc/25/59/49/816255949.db2.gz WRRJXZGJMSZVJZ-OLZOCXBDSA-N 2 1 279.815 2.427 20 0 CEADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1O ZINC001140578390 816287073 /nfs/dbraw/zinc/28/70/73/816287073.db2.gz SOLZLEGTAXBFAI-MRXNPFEDSA-N 2 1 260.381 2.228 20 0 CEADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1O ZINC001140578390 816287079 /nfs/dbraw/zinc/28/70/79/816287079.db2.gz SOLZLEGTAXBFAI-MRXNPFEDSA-N 2 1 260.381 2.228 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1O ZINC001140578390 816287085 /nfs/dbraw/zinc/28/70/85/816287085.db2.gz SOLZLEGTAXBFAI-MRXNPFEDSA-N 2 1 260.381 2.228 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1O ZINC001140578390 816287092 /nfs/dbraw/zinc/28/70/92/816287092.db2.gz SOLZLEGTAXBFAI-MRXNPFEDSA-N 2 1 260.381 2.228 20 0 CEADMP CC[N@@H+]1C[C@H]2CN(Cc3cc(C)c(O)c(C)c3)C[C@H]2C1 ZINC001140662435 816316526 /nfs/dbraw/zinc/31/65/26/816316526.db2.gz UFOGPUJEBCFBKT-IYBDPMFKSA-N 2 1 274.408 2.393 20 0 CEADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(O)c(C)c3)C[C@@H]2C1 ZINC001140662435 816316531 /nfs/dbraw/zinc/31/65/31/816316531.db2.gz UFOGPUJEBCFBKT-IYBDPMFKSA-N 2 1 274.408 2.393 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(O)c(C)c3)C[C@@H]2C1 ZINC001140662435 816316535 /nfs/dbraw/zinc/31/65/35/816316535.db2.gz UFOGPUJEBCFBKT-IYBDPMFKSA-N 2 1 274.408 2.393 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)c(O)c(C)c3)C[C@@H]2C1 ZINC001140662435 816316539 /nfs/dbraw/zinc/31/65/39/816316539.db2.gz UFOGPUJEBCFBKT-IYBDPMFKSA-N 2 1 274.408 2.393 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)c(O)c(C)c3)C[C@@H]2C1 ZINC001140662435 816316544 /nfs/dbraw/zinc/31/65/44/816316544.db2.gz UFOGPUJEBCFBKT-IYBDPMFKSA-N 2 1 274.408 2.393 20 0 CEADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(CO)o2)CC1 ZINC001140682030 816319982 /nfs/dbraw/zinc/31/99/82/816319982.db2.gz SMRDKKXKMVIXOD-UHFFFAOYSA-N 2 1 280.412 2.324 20 0 CEADMP CC[N@H+](CCn1cccn1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805089 816363477 /nfs/dbraw/zinc/36/34/77/816363477.db2.gz RCYSIQDOWBASEE-UHFFFAOYSA-N 2 1 269.352 2.282 20 0 CEADMP CC[N@@H+](CCn1cccn1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805089 816363483 /nfs/dbraw/zinc/36/34/83/816363483.db2.gz RCYSIQDOWBASEE-UHFFFAOYSA-N 2 1 269.352 2.282 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001140803582 816364278 /nfs/dbraw/zinc/36/42/78/816364278.db2.gz RZZGTWHGNQTNSE-AWEZNQCLSA-N 2 1 270.380 2.233 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001140803582 816364282 /nfs/dbraw/zinc/36/42/82/816364282.db2.gz RZZGTWHGNQTNSE-AWEZNQCLSA-N 2 1 270.380 2.233 20 0 CEADMP CN1C(=O)CC[C@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)CC[C@@H]21 ZINC001140806803 816366461 /nfs/dbraw/zinc/36/64/61/816366461.db2.gz SLFHGJKNBDLGHR-LRDDRELGSA-N 2 1 298.390 2.006 20 0 CEADMP CN1C(=O)CC[C@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)CC[C@@H]21 ZINC001140806803 816366466 /nfs/dbraw/zinc/36/64/66/816366466.db2.gz SLFHGJKNBDLGHR-LRDDRELGSA-N 2 1 298.390 2.006 20 0 CEADMP Cc1[nH+]c2ccccn2c1Nc1cnn(CC[NH+](C)C)c1 ZINC001176445238 816411748 /nfs/dbraw/zinc/41/17/48/816411748.db2.gz FJGHBHYGNJBGCO-UHFFFAOYSA-N 2 1 284.367 2.144 20 0 CEADMP CC[N@H+](Cc1c[nH]nc1C(F)(F)F)C1CCN(C)CC1 ZINC001141015135 816443581 /nfs/dbraw/zinc/44/35/81/816443581.db2.gz NFQQNBQDNCOVOW-UHFFFAOYSA-N 2 1 290.333 2.345 20 0 CEADMP CC[N@@H+](Cc1c[nH]nc1C(F)(F)F)C1CCN(C)CC1 ZINC001141015135 816443587 /nfs/dbraw/zinc/44/35/87/816443587.db2.gz NFQQNBQDNCOVOW-UHFFFAOYSA-N 2 1 290.333 2.345 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CCCC1 ZINC001176986528 816502889 /nfs/dbraw/zinc/50/28/89/816502889.db2.gz QKUGRTBVXSJZLL-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnc3ccccn23)CC1 ZINC001206292488 816516070 /nfs/dbraw/zinc/51/60/70/816516070.db2.gz BYOCNECXIZUUHO-INIZCTEOSA-N 2 1 272.396 2.285 20 0 CEADMP CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161219294 816582287 /nfs/dbraw/zinc/58/22/87/816582287.db2.gz BHIUHKXOUYYFQN-OAHLLOKOSA-N 2 1 293.455 2.019 20 0 CEADMP CCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001161219294 816582291 /nfs/dbraw/zinc/58/22/91/816582291.db2.gz BHIUHKXOUYYFQN-OAHLLOKOSA-N 2 1 293.455 2.019 20 0 CEADMP CCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001161219294 816582296 /nfs/dbraw/zinc/58/22/96/816582296.db2.gz BHIUHKXOUYYFQN-OAHLLOKOSA-N 2 1 293.455 2.019 20 0 CEADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045683 816663653 /nfs/dbraw/zinc/66/36/53/816663653.db2.gz RVMAVZHPQIGBCE-JKSUJKDBSA-N 2 1 297.487 2.393 20 0 CEADMP CCOc1ncccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206318946 816700504 /nfs/dbraw/zinc/70/05/04/816700504.db2.gz VNCOJNVXYAWSMC-INIZCTEOSA-N 2 1 277.412 2.431 20 0 CEADMP CCOC(=O)c1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c[nH]1 ZINC001206325761 816721157 /nfs/dbraw/zinc/72/11/57/816721157.db2.gz JICWHFQKDNDABZ-MRXNPFEDSA-N 2 1 293.411 2.142 20 0 CEADMP CCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001179534706 816869800 /nfs/dbraw/zinc/86/98/00/816869800.db2.gz SFPYZOUZDQLOBK-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001179534905 816870006 /nfs/dbraw/zinc/87/00/06/816870006.db2.gz XISYHBZCRJPYFZ-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000601279503 346811598 /nfs/dbraw/zinc/81/15/98/346811598.db2.gz YRBQELGNRRWWBE-UHFFFAOYSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CCCC1 ZINC000124516086 187141083 /nfs/dbraw/zinc/14/10/83/187141083.db2.gz WWSZPGNERZCEDH-OAHLLOKOSA-N 2 1 281.488 2.428 20 0 CEADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCC1 ZINC000449090594 282096168 /nfs/dbraw/zinc/09/61/68/282096168.db2.gz HFMCZUCMVKCJLW-HNNXBMFYSA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+]2CCC[C@@H]2C1 ZINC000336323196 365556536 /nfs/dbraw/zinc/55/65/36/365556536.db2.gz LUVHWVQKUHJEFM-CVEARBPZSA-N 2 1 265.445 2.029 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336323196 365556539 /nfs/dbraw/zinc/55/65/39/365556539.db2.gz LUVHWVQKUHJEFM-CVEARBPZSA-N 2 1 265.445 2.029 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000336323196 365556545 /nfs/dbraw/zinc/55/65/45/365556545.db2.gz LUVHWVQKUHJEFM-CVEARBPZSA-N 2 1 265.445 2.029 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000124628254 187146321 /nfs/dbraw/zinc/14/63/21/187146321.db2.gz SKFVQXJCWSFWMD-SFHVURJKSA-N 2 1 287.451 2.289 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@@H]3CCO[C@H]3C)CC2)[nH+]c1 ZINC000121336434 365554852 /nfs/dbraw/zinc/55/48/52/365554852.db2.gz LFBOPLISEVDCOX-DZGCQCFKSA-N 2 1 275.396 2.126 20 0 CEADMP CCC(CC)(C[NH2+]Cc1ncc(C[NH+](C)C)s1)OC ZINC000492483170 290619156 /nfs/dbraw/zinc/61/91/56/290619156.db2.gz KAAXNIRJDLJOGL-UHFFFAOYSA-N 2 1 285.457 2.500 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000124977603 187163853 /nfs/dbraw/zinc/16/38/53/187163853.db2.gz DNBVCHTYUPPHNH-UHFFFAOYSA-N 2 1 266.385 2.054 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000124977603 187163854 /nfs/dbraw/zinc/16/38/54/187163854.db2.gz DNBVCHTYUPPHNH-UHFFFAOYSA-N 2 1 266.385 2.054 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCc2csc(C)n2)C1 ZINC000125009093 187165859 /nfs/dbraw/zinc/16/58/59/187165859.db2.gz VAAUZLQMEOVOGJ-CYBMUJFWSA-N 2 1 267.442 2.268 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2csc(C)n2)C1 ZINC000125009093 187165860 /nfs/dbraw/zinc/16/58/60/187165860.db2.gz VAAUZLQMEOVOGJ-CYBMUJFWSA-N 2 1 267.442 2.268 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2csc(C)n2)C1 ZINC000125009093 187165861 /nfs/dbraw/zinc/16/58/61/187165861.db2.gz VAAUZLQMEOVOGJ-CYBMUJFWSA-N 2 1 267.442 2.268 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2csc(C)n2)C1 ZINC000125009093 187165862 /nfs/dbraw/zinc/16/58/62/187165862.db2.gz VAAUZLQMEOVOGJ-CYBMUJFWSA-N 2 1 267.442 2.268 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCN(c2ccc(F)cc2)CC1 ZINC000124643855 365656715 /nfs/dbraw/zinc/65/67/15/365656715.db2.gz KKXJSFJWZWHQGP-MRXNPFEDSA-N 2 1 291.414 2.432 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)NC2CCCC2)CC1 ZINC000337694693 214220389 /nfs/dbraw/zinc/22/03/89/214220389.db2.gz XIJGUJSFMGXYRS-UHFFFAOYSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000036908392 361870327 /nfs/dbraw/zinc/87/03/27/361870327.db2.gz JFVZCQVMRHALPS-KLHDSHLOSA-N 2 1 269.477 2.281 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000037051760 361892702 /nfs/dbraw/zinc/89/27/02/361892702.db2.gz BIHAOBVKTWKOTB-HNNXBMFYSA-N 2 1 276.428 2.263 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000037643991 361915962 /nfs/dbraw/zinc/91/59/62/361915962.db2.gz YDLCBAIUHARORT-UONOGXRCSA-N 2 1 290.407 2.450 20 0 CEADMP CC[C@H]([NH2+]CC[NH3+])c1cccc(Br)c1 ZINC000037712949 361922895 /nfs/dbraw/zinc/92/28/95/361922895.db2.gz QDDNWXYKUTYIQK-NSHDSACASA-N 2 1 257.175 2.449 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]Cc2cccc3ccoc32)CC1 ZINC000449242341 282155311 /nfs/dbraw/zinc/15/53/11/282155311.db2.gz FNMTWYYSIUTCIQ-UHFFFAOYSA-N 2 1 288.391 2.369 20 0 CEADMP COC[C@@H](Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1C ZINC000338016310 214362232 /nfs/dbraw/zinc/36/22/32/214362232.db2.gz KEZUEYCIJQIJFF-QGZVFWFLSA-N 2 1 287.407 2.429 20 0 CEADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000338079295 214391706 /nfs/dbraw/zinc/39/17/06/214391706.db2.gz GABPMBXLMZFBDY-LVQVYYBASA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000125740847 187198378 /nfs/dbraw/zinc/19/83/78/187198378.db2.gz OBGRWLSBNFBBIK-OWCLPIDISA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000125740847 187198379 /nfs/dbraw/zinc/19/83/79/187198379.db2.gz OBGRWLSBNFBBIK-OWCLPIDISA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000125740847 187198380 /nfs/dbraw/zinc/19/83/80/187198380.db2.gz OBGRWLSBNFBBIK-OWCLPIDISA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000125740847 187198381 /nfs/dbraw/zinc/19/83/81/187198381.db2.gz OBGRWLSBNFBBIK-OWCLPIDISA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000125740847 187198382 /nfs/dbraw/zinc/19/83/82/187198382.db2.gz OBGRWLSBNFBBIK-OWCLPIDISA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000125740847 187198383 /nfs/dbraw/zinc/19/83/83/187198383.db2.gz OBGRWLSBNFBBIK-OWCLPIDISA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000125740847 187198384 /nfs/dbraw/zinc/19/83/84/187198384.db2.gz OBGRWLSBNFBBIK-OWCLPIDISA-N 3 1 267.461 2.179 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCOC(C)(C)C ZINC000676716688 539167922 /nfs/dbraw/zinc/16/79/22/539167922.db2.gz ANHMPTFBTNNFLO-BZUAXINKSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@H](c1ccccn1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000071711682 539180804 /nfs/dbraw/zinc/18/08/04/539180804.db2.gz AARRUIRFQHAQGE-CQSZACIVSA-N 2 1 268.364 2.360 20 0 CEADMP CCCOc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000090320083 539182152 /nfs/dbraw/zinc/18/21/52/539182152.db2.gz GHVQEXNSDZGEGJ-HUUCEWRRSA-N 2 1 260.381 2.127 20 0 CEADMP CC[NH2+]CCCN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000567723994 299081956 /nfs/dbraw/zinc/08/19/56/299081956.db2.gz MYMPHUMYGOEVFX-RDJZCZTQSA-N 2 1 275.440 2.411 20 0 CEADMP C(C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668586205 539204320 /nfs/dbraw/zinc/20/43/20/539204320.db2.gz BEAPWRLGPMGNLK-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP C(C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668586205 539204322 /nfs/dbraw/zinc/20/43/22/539204322.db2.gz BEAPWRLGPMGNLK-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP COC[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668588362 539204782 /nfs/dbraw/zinc/20/47/82/539204782.db2.gz YVJACOKEKLOOHN-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP COC[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668588362 539204783 /nfs/dbraw/zinc/20/47/83/539204783.db2.gz YVJACOKEKLOOHN-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cncc(Cl)c1 ZINC000621776699 349699437 /nfs/dbraw/zinc/69/94/37/349699437.db2.gz SYOITBFBMYFCMO-LBPRGKRZSA-N 2 1 253.777 2.213 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCCOCCc1ccccc1)C2 ZINC000621779184 349699982 /nfs/dbraw/zinc/69/99/82/349699982.db2.gz BHAUYRXGIKOEKE-ZWKOTPCHSA-N 2 1 288.435 2.449 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000668595813 539207058 /nfs/dbraw/zinc/20/70/58/539207058.db2.gz ANTVQXXKACMTOM-DOTOQJQBSA-N 2 1 298.390 2.044 20 0 CEADMP CCn1cc(CC[N@@H+](CCC[NH3+])CC2CCCC2)cn1 ZINC000621775402 349697965 /nfs/dbraw/zinc/69/79/65/349697965.db2.gz OEAHQUQVDKIECZ-UHFFFAOYSA-N 2 1 278.444 2.287 20 0 CEADMP Cc1cccc(C)c1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000091059877 539226526 /nfs/dbraw/zinc/22/65/26/539226526.db2.gz MSBNWHMOIKXREL-UHFFFAOYSA-N 2 1 289.467 2.421 20 0 CEADMP CC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@H]1C[C@@H]1C ZINC000414129867 529591807 /nfs/dbraw/zinc/59/18/07/529591807.db2.gz VPDHKCGAXLRHQT-IHRRRGAJSA-N 2 1 254.418 2.121 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc2ncccc2c1 ZINC000401789735 539254864 /nfs/dbraw/zinc/25/48/64/539254864.db2.gz GMXHJBHXUPHQIN-UHFFFAOYSA-N 2 1 266.348 2.301 20 0 CEADMP Cc1cccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1C ZINC000668739932 539255622 /nfs/dbraw/zinc/25/56/22/539255622.db2.gz DBQVCARZAGMWMO-GOSISDBHSA-N 2 1 288.435 2.334 20 0 CEADMP Cc1cccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1C ZINC000668739932 539255623 /nfs/dbraw/zinc/25/56/23/539255623.db2.gz DBQVCARZAGMWMO-GOSISDBHSA-N 2 1 288.435 2.334 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@H]1C[C@@H]1C ZINC000414127664 529596181 /nfs/dbraw/zinc/59/61/81/529596181.db2.gz SIUPUADPAULUBD-FZKCQIBNSA-N 2 1 268.445 2.248 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000567747873 299085599 /nfs/dbraw/zinc/08/55/99/299085599.db2.gz CARYIYSRLDMKGY-MSOLQXFVSA-N 2 1 290.451 2.271 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000350892912 219068977 /nfs/dbraw/zinc/06/89/77/219068977.db2.gz FQTACKQNMQJLQU-UHFFFAOYSA-N 2 1 284.444 2.382 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1CCOc2ccccc21 ZINC000162082559 539274386 /nfs/dbraw/zinc/27/43/86/539274386.db2.gz ITLAGWCGUYINJV-RDBSUJKOSA-N 2 1 260.381 2.222 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccccc1 ZINC000042895010 362128884 /nfs/dbraw/zinc/12/88/84/362128884.db2.gz QHGQSSUDUGEYFW-IIAWOOMASA-N 2 1 262.397 2.384 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN(C)C)cc1 ZINC000273160219 192061195 /nfs/dbraw/zinc/06/11/95/192061195.db2.gz ZEYCKCSEYKZAPM-CYBMUJFWSA-N 2 1 272.396 2.393 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2=CCCOC2)cn1 ZINC000126622003 187252241 /nfs/dbraw/zinc/25/22/41/187252241.db2.gz VJQZPGOWYNCDQR-UHFFFAOYSA-N 2 1 284.363 2.012 20 0 CEADMP CC[NH+](CC)[C@H]1CCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351180803 219084080 /nfs/dbraw/zinc/08/40/80/219084080.db2.gz HQUYSEBRHZRNEY-CVEARBPZSA-N 2 1 267.461 2.277 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CF)CCOCC2)[C@@H](C)C1 ZINC000449489371 282256080 /nfs/dbraw/zinc/25/60/80/282256080.db2.gz RBPYCHRVZZKTHK-UONOGXRCSA-N 2 1 272.408 2.073 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1O ZINC000040620852 343437691 /nfs/dbraw/zinc/43/76/91/343437691.db2.gz HOAVLZFVQVGLGQ-CQSZACIVSA-N 2 1 278.396 2.221 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1O ZINC000040620852 343437693 /nfs/dbraw/zinc/43/76/93/343437693.db2.gz HOAVLZFVQVGLGQ-CQSZACIVSA-N 2 1 278.396 2.221 20 0 CEADMP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000044532488 343474354 /nfs/dbraw/zinc/47/43/54/343474354.db2.gz JRQHBXLUQBJDAZ-NSHDSACASA-N 2 1 253.415 2.137 20 0 CEADMP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000044532488 343474355 /nfs/dbraw/zinc/47/43/55/343474355.db2.gz JRQHBXLUQBJDAZ-NSHDSACASA-N 2 1 253.415 2.137 20 0 CEADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000127532492 365752343 /nfs/dbraw/zinc/75/23/43/365752343.db2.gz GWTVHDPWADARTL-RBSFLKMASA-N 3 1 255.450 2.037 20 0 CEADMP COCC(COC)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449547766 282279617 /nfs/dbraw/zinc/27/96/17/282279617.db2.gz YRWBWDHTRIYDAJ-RHSMWYFYSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@@H](CN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000449556416 282281861 /nfs/dbraw/zinc/28/18/61/282281861.db2.gz MIVCSNGJMWWKPF-YQQAZPJKSA-N 2 1 275.440 2.362 20 0 CEADMP C[C@@H](CN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000449556416 282281863 /nfs/dbraw/zinc/28/18/63/282281863.db2.gz MIVCSNGJMWWKPF-YQQAZPJKSA-N 2 1 275.440 2.362 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000336709551 365773887 /nfs/dbraw/zinc/77/38/87/365773887.db2.gz MACGUEVTMAKNKY-HNNXBMFYSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCCCO2)CC1 ZINC000336709552 365774189 /nfs/dbraw/zinc/77/41/89/365774189.db2.gz MACGUEVTMAKNKY-OAHLLOKOSA-N 2 1 254.418 2.360 20 0 CEADMP CCc1ncc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000414361256 529757199 /nfs/dbraw/zinc/75/71/99/529757199.db2.gz HUZKALGHTIAHGS-KBPBESRZSA-N 2 1 262.401 2.001 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC000449560385 282283259 /nfs/dbraw/zinc/28/32/59/282283259.db2.gz KHUPTHOESMMKDP-KNABHZPTSA-N 2 1 294.439 2.179 20 0 CEADMP COc1ccsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295069467 199329066 /nfs/dbraw/zinc/32/90/66/199329066.db2.gz QVIJHAWIQCJUIL-YOGCLGLASA-N 2 1 266.410 2.472 20 0 CEADMP COc1ccsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295069467 199329068 /nfs/dbraw/zinc/32/90/68/199329068.db2.gz QVIJHAWIQCJUIL-YOGCLGLASA-N 2 1 266.410 2.472 20 0 CEADMP CCC[N@@H+](C[C@H]1CCCC[C@@H]1O)C1CC[NH2+]CC1 ZINC000328512230 539352056 /nfs/dbraw/zinc/35/20/56/539352056.db2.gz OFFWONYUPSKOAO-HIFRSBDPSA-N 2 1 254.418 2.002 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000069754466 343790898 /nfs/dbraw/zinc/79/08/98/343790898.db2.gz MGNIOLNNKZJAJU-UHFFFAOYSA-N 2 1 275.400 2.323 20 0 CEADMP C[N@H+](CCC(=O)NC1CCCC1)CC[C@@H]1CCCC[NH+]1C ZINC000173958787 529871164 /nfs/dbraw/zinc/87/11/64/529871164.db2.gz LFWLHXGSCCPUHZ-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CCC(=O)NC1CCCC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000173958787 529871166 /nfs/dbraw/zinc/87/11/66/529871166.db2.gz LFWLHXGSCCPUHZ-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CCC(=O)NC1CCCC1)CC[C@@H]1CCCC[N@H+]1C ZINC000173958787 529871168 /nfs/dbraw/zinc/87/11/68/529871168.db2.gz LFWLHXGSCCPUHZ-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP COC(=O)C(C)(C)[C@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000093298420 344218641 /nfs/dbraw/zinc/21/86/41/344218641.db2.gz KLEGWXWDIZLRDQ-AWEZNQCLSA-N 2 1 293.411 2.103 20 0 CEADMP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000093298420 344218643 /nfs/dbraw/zinc/21/86/43/344218643.db2.gz KLEGWXWDIZLRDQ-AWEZNQCLSA-N 2 1 293.411 2.103 20 0 CEADMP Fc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000107580304 344261091 /nfs/dbraw/zinc/26/10/91/344261091.db2.gz UCCXTKTYLSJZOJ-CHWSQXEVSA-N 2 1 271.339 2.025 20 0 CEADMP COCC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351596199 219139584 /nfs/dbraw/zinc/13/95/84/219139584.db2.gz NERFNKXHNHKDFG-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP CCCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000227285918 344552277 /nfs/dbraw/zinc/55/22/77/344552277.db2.gz QKGGPVJBTHKJKE-AWEZNQCLSA-N 2 1 264.417 2.113 20 0 CEADMP CCCn1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000227285918 344552279 /nfs/dbraw/zinc/55/22/79/344552279.db2.gz QKGGPVJBTHKJKE-AWEZNQCLSA-N 2 1 264.417 2.113 20 0 CEADMP COc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])c(F)c1 ZINC000228621653 344562184 /nfs/dbraw/zinc/56/21/84/344562184.db2.gz KPWHBLQNXBLZGI-UHFFFAOYSA-N 2 1 254.349 2.251 20 0 CEADMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])c(F)c1 ZINC000228621653 344562187 /nfs/dbraw/zinc/56/21/87/344562187.db2.gz KPWHBLQNXBLZGI-UHFFFAOYSA-N 2 1 254.349 2.251 20 0 CEADMP C(CN1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000051919100 362448972 /nfs/dbraw/zinc/44/89/72/362448972.db2.gz AJOHKCHSOUFKOQ-INIZCTEOSA-N 2 1 279.472 2.326 20 0 CEADMP COC[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351601858 219141748 /nfs/dbraw/zinc/14/17/48/219141748.db2.gz XAYBBTLIHRTPBO-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351601858 219141749 /nfs/dbraw/zinc/14/17/49/219141749.db2.gz XAYBBTLIHRTPBO-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351601858 219141750 /nfs/dbraw/zinc/14/17/50/219141750.db2.gz XAYBBTLIHRTPBO-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CCC1CC[NH2+]CC1 ZINC000262995918 344656020 /nfs/dbraw/zinc/65/60/20/344656020.db2.gz OFMPDLQJQHJFBN-GJZGRUSLSA-N 2 1 295.471 2.003 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000249083468 344627936 /nfs/dbraw/zinc/62/79/36/344627936.db2.gz RZJVCNBSXWUWFH-HUUCEWRRSA-N 2 1 256.434 2.201 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000250645287 344633886 /nfs/dbraw/zinc/63/38/86/344633886.db2.gz VBZRLSRICHXCDS-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000251003834 344635309 /nfs/dbraw/zinc/63/53/09/344635309.db2.gz OIYIQSDPMFLCSS-BZUAXINKSA-N 2 1 259.397 2.400 20 0 CEADMP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCCCC1 ZINC000319744861 344750819 /nfs/dbraw/zinc/75/08/19/344750819.db2.gz WQPLXCADEYKFSM-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(C)C)CC1 ZINC000311005667 344732725 /nfs/dbraw/zinc/73/27/25/344732725.db2.gz JCULPROGYWGDBJ-GJZGRUSLSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000311005667 344732728 /nfs/dbraw/zinc/73/27/28/344732728.db2.gz JCULPROGYWGDBJ-GJZGRUSLSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000311005667 344732731 /nfs/dbraw/zinc/73/27/31/344732731.db2.gz JCULPROGYWGDBJ-GJZGRUSLSA-N 2 1 256.434 2.057 20 0 CEADMP CC(C)C1(C)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351610596 219146149 /nfs/dbraw/zinc/14/61/49/219146149.db2.gz OIMKKEWLICFKMF-OAHLLOKOSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)C1(C)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351610596 219146152 /nfs/dbraw/zinc/14/61/52/219146152.db2.gz OIMKKEWLICFKMF-OAHLLOKOSA-N 2 1 268.445 2.200 20 0 CEADMP C[N@H+]1CCC[C@@H](CNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000054243198 362520173 /nfs/dbraw/zinc/52/01/73/362520173.db2.gz OKSBXXGMHARHHW-AWEZNQCLSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000054243198 362520179 /nfs/dbraw/zinc/52/01/79/362520179.db2.gz OKSBXXGMHARHHW-AWEZNQCLSA-N 3 1 267.461 2.181 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000054243198 362520185 /nfs/dbraw/zinc/52/01/85/362520185.db2.gz OKSBXXGMHARHHW-AWEZNQCLSA-N 3 1 267.461 2.181 20 0 CEADMP c1nc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)ccc2[nH]1 ZINC000589641445 345090645 /nfs/dbraw/zinc/09/06/45/345090645.db2.gz JENPYSCKKHHGTC-KBPBESRZSA-N 2 1 270.380 2.279 20 0 CEADMP c1nc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2[nH]1 ZINC000589641445 345090648 /nfs/dbraw/zinc/09/06/48/345090648.db2.gz JENPYSCKKHHGTC-KBPBESRZSA-N 2 1 270.380 2.279 20 0 CEADMP c1nc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2[nH]1 ZINC000589641445 345090650 /nfs/dbraw/zinc/09/06/50/345090650.db2.gz JENPYSCKKHHGTC-KBPBESRZSA-N 2 1 270.380 2.279 20 0 CEADMP c1ccc2c(c1)n[nH]c2C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000589641674 345091878 /nfs/dbraw/zinc/09/18/78/345091878.db2.gz VKERFPJRCUSATR-LBPRGKRZSA-N 2 1 270.380 2.137 20 0 CEADMP c1ccc2c(c1)n[nH]c2C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000589641674 345091880 /nfs/dbraw/zinc/09/18/80/345091880.db2.gz VKERFPJRCUSATR-LBPRGKRZSA-N 2 1 270.380 2.137 20 0 CEADMP CC(C)OC(=O)[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000590779342 345180159 /nfs/dbraw/zinc/18/01/59/345180159.db2.gz OCQXTFYSROUQNX-ZFWWWQNUSA-N 2 1 284.444 2.283 20 0 CEADMP CCOC(=O)CC[N@@H+](CC1CC1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000591272207 345236550 /nfs/dbraw/zinc/23/65/50/345236550.db2.gz WFVCYYOAIIGUJG-HIFRSBDPSA-N 2 1 282.428 2.040 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000568164937 299117893 /nfs/dbraw/zinc/11/78/93/299117893.db2.gz DFMUVRDRXQBLSO-KKUMJFAQSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000568164937 299117895 /nfs/dbraw/zinc/11/78/95/299117895.db2.gz DFMUVRDRXQBLSO-KKUMJFAQSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000568164937 299117897 /nfs/dbraw/zinc/11/78/97/299117897.db2.gz DFMUVRDRXQBLSO-KKUMJFAQSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000568164937 299117899 /nfs/dbraw/zinc/11/78/99/299117899.db2.gz DFMUVRDRXQBLSO-KKUMJFAQSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH+](C)C3)c2C1 ZINC000591456570 345257924 /nfs/dbraw/zinc/25/79/24/345257924.db2.gz DPKSDICDTPWZSI-CQSZACIVSA-N 2 1 287.407 2.302 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH+](C)C3)c2C1 ZINC000591456570 345257927 /nfs/dbraw/zinc/25/79/27/345257927.db2.gz DPKSDICDTPWZSI-CQSZACIVSA-N 2 1 287.407 2.302 20 0 CEADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3CC[N@H+](C)C3)c2C1 ZINC000591456570 345257930 /nfs/dbraw/zinc/25/79/30/345257930.db2.gz DPKSDICDTPWZSI-CQSZACIVSA-N 2 1 287.407 2.302 20 0 CEADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3CC[N@@H+](C)C3)c2C1 ZINC000591456570 345257934 /nfs/dbraw/zinc/25/79/34/345257934.db2.gz DPKSDICDTPWZSI-CQSZACIVSA-N 2 1 287.407 2.302 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]C/C=C/c2ccccc2)CC1 ZINC000591718865 345275199 /nfs/dbraw/zinc/27/51/99/345275199.db2.gz IVMCLLDVDURPNY-BJMVGYQFSA-N 2 1 287.451 2.317 20 0 CEADMP Cc1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)on1 ZINC000591712616 345275478 /nfs/dbraw/zinc/27/54/78/345275478.db2.gz PKCRWTXOYKZJFS-UHFFFAOYSA-N 2 1 289.379 2.213 20 0 CEADMP Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591866788 345289994 /nfs/dbraw/zinc/28/99/94/345289994.db2.gz FVNDJYCWCWMLAS-HNNXBMFYSA-N 2 1 298.390 2.467 20 0 CEADMP Cc1ccccc1NC(=O)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591866788 345289996 /nfs/dbraw/zinc/28/99/96/345289996.db2.gz FVNDJYCWCWMLAS-HNNXBMFYSA-N 2 1 298.390 2.467 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ncccc2C)[C@H](C)C1 ZINC000295110844 199350690 /nfs/dbraw/zinc/35/06/90/199350690.db2.gz WBRMJGPENQDYEL-GDBMZVCRSA-N 2 1 261.413 2.252 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C(=O)OC(C)(C)C ZINC000594509867 345640741 /nfs/dbraw/zinc/64/07/41/345640741.db2.gz ITYQAXPWFLMTJA-GFCCVEGCSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000594927694 345704706 /nfs/dbraw/zinc/70/47/06/345704706.db2.gz QHUBDAXKFGSEQQ-XGYYKPKNSA-N 2 1 296.455 2.284 20 0 CEADMP C[C@H](CSCCF)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000595007843 345725095 /nfs/dbraw/zinc/72/50/95/345725095.db2.gz PVLFSMSVFSCLOR-NEPJUHHUSA-N 2 1 260.422 2.152 20 0 CEADMP CCS[C@H]1CCCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000595884899 345905877 /nfs/dbraw/zinc/90/58/77/345905877.db2.gz IWFIHCKKPJUWFN-KGLIPLIRSA-N 2 1 284.469 2.115 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cs1 ZINC000595895167 345908888 /nfs/dbraw/zinc/90/88/88/345908888.db2.gz DMNGYERTAYOVTQ-LLVKDONJSA-N 2 1 282.409 2.096 20 0 CEADMP Cc1ccccc1NC(=O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000174786972 232299435 /nfs/dbraw/zinc/29/94/35/232299435.db2.gz LYFUHCDDECAXTF-UHFFFAOYSA-N 2 1 289.423 2.350 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000128307328 187363321 /nfs/dbraw/zinc/36/33/21/187363321.db2.gz HMHMFHGZUQWTFG-KGLIPLIRSA-N 2 1 275.396 2.033 20 0 CEADMP COC(=O)c1csc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)c1 ZINC000596648285 346071514 /nfs/dbraw/zinc/07/15/14/346071514.db2.gz ODITWHHHHANGBJ-SNVBAGLBSA-N 2 1 282.409 2.457 20 0 CEADMP CCSC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000596653869 346072628 /nfs/dbraw/zinc/07/26/28/346072628.db2.gz XITALMCJJJUADV-JTQLQIEISA-N 2 1 251.399 2.430 20 0 CEADMP COC(=O)C(C)(C)CCN[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597179521 346143043 /nfs/dbraw/zinc/14/30/43/346143043.db2.gz IZVKSOGKLIRJAG-LBPRGKRZSA-N 2 1 270.417 2.038 20 0 CEADMP COC(=O)C(C)(C)CCN[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597179521 346143046 /nfs/dbraw/zinc/14/30/46/346143046.db2.gz IZVKSOGKLIRJAG-LBPRGKRZSA-N 2 1 270.417 2.038 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CCO)C(C)(C)C)CC1(C)C ZINC000599044205 346451213 /nfs/dbraw/zinc/45/12/13/346451213.db2.gz LDVWJUTXQUZXEC-CHWSQXEVSA-N 2 1 256.434 2.246 20 0 CEADMP COC(=O)CCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000599299379 346493833 /nfs/dbraw/zinc/49/38/33/346493833.db2.gz FEUXTCGZCNYTOR-OAHLLOKOSA-N 2 1 282.428 2.138 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1[C@H](C)C[C@@H](C(=O)OC)C[C@@H]1C ZINC000599698058 346571335 /nfs/dbraw/zinc/57/13/35/346571335.db2.gz UQABGJKNPIZTBB-QDMKHBRRSA-N 2 1 284.444 2.380 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1[C@H](C)C[C@@H](C(=O)OC)C[C@@H]1C ZINC000599698058 346571338 /nfs/dbraw/zinc/57/13/38/346571338.db2.gz UQABGJKNPIZTBB-QDMKHBRRSA-N 2 1 284.444 2.380 20 0 CEADMP COC(=O)CCCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000600710051 346675019 /nfs/dbraw/zinc/67/50/19/346675019.db2.gz NPKDVLMPXPZNGB-OAHLLOKOSA-N 2 1 282.428 2.041 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C[C@@H](C)O)C1CCCCC1 ZINC000336801982 365835563 /nfs/dbraw/zinc/83/55/63/365835563.db2.gz SCBGZGYJJALGJX-CYBMUJFWSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000336801982 365835567 /nfs/dbraw/zinc/83/55/67/365835567.db2.gz SCBGZGYJJALGJX-CYBMUJFWSA-N 2 1 265.401 2.207 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCC[NH+]1CCCC1 ZINC000351762132 219199474 /nfs/dbraw/zinc/19/94/74/219199474.db2.gz XKWDTIVGYADRCM-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP Clc1ccccc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129418860 365856257 /nfs/dbraw/zinc/85/62/57/365856257.db2.gz SNUXRYPEIVYGPE-CQSZACIVSA-N 2 1 294.826 2.494 20 0 CEADMP CCN(C#N)CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602813035 347209894 /nfs/dbraw/zinc/20/98/94/347209894.db2.gz WGPIOBSHZUFURK-GJZGRUSLSA-N 2 1 278.444 2.032 20 0 CEADMP CCN(C#N)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000602813035 347209897 /nfs/dbraw/zinc/20/98/97/347209897.db2.gz WGPIOBSHZUFURK-GJZGRUSLSA-N 2 1 278.444 2.032 20 0 CEADMP CCOC(=O)C(CC)(CC)C[NH2+]C1CC[NH+](C)CC1 ZINC000602731035 347175154 /nfs/dbraw/zinc/17/51/54/347175154.db2.gz BNEAMPPTCOUASJ-UHFFFAOYSA-N 2 1 270.417 2.040 20 0 CEADMP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877341 347234852 /nfs/dbraw/zinc/23/48/52/347234852.db2.gz GUOFTZLMZAGKTL-OAHLLOKOSA-N 2 1 296.455 2.382 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2c(C)noc2C)[C@@H](C)C1 ZINC000336823591 365877888 /nfs/dbraw/zinc/87/78/88/365877888.db2.gz QHMYMRWCSBFKFZ-BLLLJJGKSA-N 2 1 279.428 2.496 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2c(C)noc2C)[C@@H](C)C1 ZINC000336823591 365877895 /nfs/dbraw/zinc/87/78/95/365877895.db2.gz QHMYMRWCSBFKFZ-BLLLJJGKSA-N 2 1 279.428 2.496 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2c(C)noc2C)[C@@H](C)C1 ZINC000336823591 365877898 /nfs/dbraw/zinc/87/78/98/365877898.db2.gz QHMYMRWCSBFKFZ-BLLLJJGKSA-N 2 1 279.428 2.496 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2c(C)noc2C)[C@@H](C)C1 ZINC000336823591 365877905 /nfs/dbraw/zinc/87/79/05/365877905.db2.gz QHMYMRWCSBFKFZ-BLLLJJGKSA-N 2 1 279.428 2.496 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](CCC[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000414732930 297248346 /nfs/dbraw/zinc/24/83/46/297248346.db2.gz JAUWKTCWZHZBSJ-WBVHZDCISA-N 3 1 275.440 2.226 20 0 CEADMP CCO[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@@H](OCC)C2)C1 ZINC000607153850 347510786 /nfs/dbraw/zinc/51/07/86/347510786.db2.gz AHKAWOIKTCJZAR-IAGOWNOFSA-N 2 1 298.471 2.378 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCc2cccc(F)c2)CC[N@H+]1C ZINC000129825154 365898365 /nfs/dbraw/zinc/89/83/65/365898365.db2.gz WFYZTDXIEZGIQJ-WFASDCNBSA-N 2 1 250.361 2.441 20 0 CEADMP C[C@H]1CC(C[NH2+]C2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000459547257 290175666 /nfs/dbraw/zinc/17/56/66/290175666.db2.gz VSICLNVDVDKOPB-STQMWFEESA-N 2 1 266.429 2.406 20 0 CEADMP CCc1cnc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000130275323 365938933 /nfs/dbraw/zinc/93/89/33/365938933.db2.gz PNHSZVGTGKYSCS-AAEUAGOBSA-N 2 1 267.442 2.178 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CCc2ccccc2)CC[N@H+]1C ZINC000273317317 192110673 /nfs/dbraw/zinc/11/06/73/192110673.db2.gz YHPWOYBCTVNAHU-PVAVHDDUSA-N 2 1 276.424 2.052 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000339415795 215156598 /nfs/dbraw/zinc/15/65/98/215156598.db2.gz UXZXPJYQOJIOHT-ZBFHGGJFSA-N 2 1 261.413 2.382 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000614329040 348179851 /nfs/dbraw/zinc/17/98/51/348179851.db2.gz CSPMZQPDMSQFIU-ZIAGYGMSSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[C@H](C[N@@H+]1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000339406520 215151149 /nfs/dbraw/zinc/15/11/49/215151149.db2.gz IZDFASBAIDDUPY-HOTGVXAUSA-N 2 1 262.397 2.086 20 0 CEADMP CC(C)[C@H](C[N@H+]1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000339406520 215151152 /nfs/dbraw/zinc/15/11/52/215151152.db2.gz IZDFASBAIDDUPY-HOTGVXAUSA-N 2 1 262.397 2.086 20 0 CEADMP COCCCCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339434312 215166925 /nfs/dbraw/zinc/16/69/25/215166925.db2.gz YZKWYUSGGUURAU-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP COCCCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339434312 215166927 /nfs/dbraw/zinc/16/69/27/215166927.db2.gz YZKWYUSGGUURAU-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP COCCCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339434312 215166928 /nfs/dbraw/zinc/16/69/28/215166928.db2.gz YZKWYUSGGUURAU-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000615302591 348310358 /nfs/dbraw/zinc/31/03/58/348310358.db2.gz DJFPDZPGVIWOIG-GOEBONIOSA-N 2 1 295.471 2.192 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CCCC2)[C@H]2CCC[C@H]21 ZINC000353670254 290216334 /nfs/dbraw/zinc/21/63/34/290216334.db2.gz KTRLXKNNMOTBFH-QLFBSQMISA-N 2 1 266.429 2.002 20 0 CEADMP COCc1cnc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000357057116 233000440 /nfs/dbraw/zinc/00/04/40/233000440.db2.gz UJCYBGKFZJJPRK-CYBMUJFWSA-N 2 1 295.452 2.111 20 0 CEADMP CCn1ccnc1[C@H](C)NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000456350450 539631689 /nfs/dbraw/zinc/63/16/89/539631689.db2.gz KAEWWTXBSPVKRG-KGLIPLIRSA-N 2 1 292.427 2.345 20 0 CEADMP CC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309847525 539634183 /nfs/dbraw/zinc/63/41/83/539634183.db2.gz YRWLWOFQGPWYJI-DLBZAZTESA-N 2 1 276.424 2.259 20 0 CEADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623342442 349993237 /nfs/dbraw/zinc/99/32/37/349993237.db2.gz ZZLTXAMSNXRRQN-HNNXBMFYSA-N 2 1 267.461 2.323 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)ccn1 ZINC000623353151 349996132 /nfs/dbraw/zinc/99/61/32/349996132.db2.gz BLSBVXUXUXDBFZ-ZDUSSCGKSA-N 2 1 263.385 2.053 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)ccn1 ZINC000623353151 349996133 /nfs/dbraw/zinc/99/61/33/349996133.db2.gz BLSBVXUXUXDBFZ-ZDUSSCGKSA-N 2 1 263.385 2.053 20 0 CEADMP Cc1nc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cs1 ZINC000459734124 290221587 /nfs/dbraw/zinc/22/15/87/290221587.db2.gz OEDJRGXZUZOUTJ-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCC[C@@H]2C)C1 ZINC000457100563 539656788 /nfs/dbraw/zinc/65/67/88/539656788.db2.gz WTJIIMJIKBHXSK-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000457100563 539656793 /nfs/dbraw/zinc/65/67/93/539656793.db2.gz WTJIIMJIKBHXSK-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000457100563 539656798 /nfs/dbraw/zinc/65/67/98/539656798.db2.gz WTJIIMJIKBHXSK-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC[C@@H]1O ZINC000339068965 539659303 /nfs/dbraw/zinc/65/93/03/539659303.db2.gz IZMJMABRLRWSDY-FXUDXRNXSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)C1CCC1 ZINC000617503558 348718617 /nfs/dbraw/zinc/71/86/17/348718617.db2.gz OMEVKKFZYLUZGR-AWEZNQCLSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)C1CCC1 ZINC000617503558 348718621 /nfs/dbraw/zinc/71/86/21/348718621.db2.gz OMEVKKFZYLUZGR-AWEZNQCLSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000617351810 348687444 /nfs/dbraw/zinc/68/74/44/348687444.db2.gz PWNZVHQIXXMJIJ-LJISPDSOSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000617351810 348687446 /nfs/dbraw/zinc/68/74/46/348687446.db2.gz PWNZVHQIXXMJIJ-LJISPDSOSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000617351810 348687448 /nfs/dbraw/zinc/68/74/48/348687448.db2.gz PWNZVHQIXXMJIJ-LJISPDSOSA-N 2 1 295.471 2.237 20 0 CEADMP CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@H]1CC[N@@H+](CC)C1 ZINC000617925070 348825284 /nfs/dbraw/zinc/82/52/84/348825284.db2.gz DVUAAPDZOFQBCZ-KGLIPLIRSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC[NH2+]1 ZINC000414713527 297253335 /nfs/dbraw/zinc/25/33/35/297253335.db2.gz WBFDJPJBALXQBW-IXDOHACOSA-N 3 1 279.472 2.182 20 0 CEADMP CCN(C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000617930288 348829454 /nfs/dbraw/zinc/82/94/54/348829454.db2.gz ZTDBRCIQVJJQPN-FZKCQIBNSA-N 2 1 295.471 2.190 20 0 CEADMP CCN(C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[C@H]1CC[NH+](CC)C1 ZINC000617930288 348829458 /nfs/dbraw/zinc/82/94/58/348829458.db2.gz ZTDBRCIQVJJQPN-FZKCQIBNSA-N 2 1 295.471 2.190 20 0 CEADMP CCN(C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[C@H]1CC[NH+](CC)C1 ZINC000617930288 348829459 /nfs/dbraw/zinc/82/94/59/348829459.db2.gz ZTDBRCIQVJJQPN-FZKCQIBNSA-N 2 1 295.471 2.190 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCc2c[nH+]cn2C)C1 ZINC000459362961 539689345 /nfs/dbraw/zinc/68/93/45/539689345.db2.gz HTYXDEYUBBBCLL-UXLLHSPISA-N 2 1 290.455 2.300 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CCc2c[nH+]cn2C)C1 ZINC000459362961 539689351 /nfs/dbraw/zinc/68/93/51/539689351.db2.gz HTYXDEYUBBBCLL-UXLLHSPISA-N 2 1 290.455 2.300 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000568856524 299159857 /nfs/dbraw/zinc/15/98/57/299159857.db2.gz QTULOCYRTRPHMZ-CXQJBGSLSA-N 2 1 282.350 2.330 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(O)CCCCC2)CC1(C)C ZINC000623387817 350007061 /nfs/dbraw/zinc/00/70/61/350007061.db2.gz WLRJJGSSOVBBSE-ZDUSSCGKSA-N 2 1 254.418 2.144 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)CC1(C)C ZINC000623423632 350016791 /nfs/dbraw/zinc/01/67/91/350016791.db2.gz MACNYOODHGHUBX-QWHCGFSZSA-N 2 1 256.434 2.246 20 0 CEADMP CCC[C@@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623436499 350020225 /nfs/dbraw/zinc/02/02/25/350020225.db2.gz VEFBTURLXNHMFM-KBPBESRZSA-N 2 1 256.434 2.248 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCC[C@@H]2O)CC1(C)C ZINC000623439350 350020807 /nfs/dbraw/zinc/02/08/07/350020807.db2.gz GBKGDCXTRDKRLZ-OFQRWUPVSA-N 2 1 268.445 2.390 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623524238 350040559 /nfs/dbraw/zinc/04/05/59/350040559.db2.gz JYOSKEGWQJBQIH-CABCVRRESA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623524238 350040562 /nfs/dbraw/zinc/04/05/62/350040562.db2.gz JYOSKEGWQJBQIH-CABCVRRESA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623524238 350040565 /nfs/dbraw/zinc/04/05/65/350040565.db2.gz JYOSKEGWQJBQIH-CABCVRRESA-N 2 1 267.461 2.323 20 0 CEADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623724723 350093397 /nfs/dbraw/zinc/09/33/97/350093397.db2.gz STFIGCMZKXFQPO-ODXJTPSBSA-N 2 1 254.418 2.261 20 0 CEADMP C[N@H+]1CC[C@@H](NC[C@@H]2CC[NH+]2C2CCCC2)CC1(C)C ZINC000623729288 350095372 /nfs/dbraw/zinc/09/53/72/350095372.db2.gz XGFAJYNYMFHSGQ-ZBFHGGJFSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1(C)C ZINC000623729288 350095374 /nfs/dbraw/zinc/09/53/74/350095374.db2.gz XGFAJYNYMFHSGQ-ZBFHGGJFSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@@H]2CC[N@H+]2C2CCCC2)CC1(C)C ZINC000623729288 350095375 /nfs/dbraw/zinc/09/53/75/350095375.db2.gz XGFAJYNYMFHSGQ-ZBFHGGJFSA-N 2 1 279.472 2.466 20 0 CEADMP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000623808818 350114865 /nfs/dbraw/zinc/11/48/65/350114865.db2.gz FEXBTTREPIUNHR-IYARVYRRSA-N 2 1 288.435 2.461 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623868395 350129880 /nfs/dbraw/zinc/12/98/80/350129880.db2.gz ZFNYWFOBGRUGRW-GXTWGEPZSA-N 2 1 251.374 2.129 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCCCO1 ZINC000623889828 350135154 /nfs/dbraw/zinc/13/51/54/350135154.db2.gz XKZSGEAFCJWRIC-HOTGVXAUSA-N 2 1 296.455 2.179 20 0 CEADMP CC(C)c1cccc([C@H](C)[NH2+]C[C@@H](O)CN(C)C)c1 ZINC000623889082 350135339 /nfs/dbraw/zinc/13/53/39/350135339.db2.gz CFSGWRMYIUEXPI-XJKSGUPXSA-N 2 1 264.413 2.383 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)CC[N@H+]1C ZINC000624054703 350180463 /nfs/dbraw/zinc/18/04/63/350180463.db2.gz LIPYEVIAEKMQNZ-XKQJLSEDSA-N 2 1 274.408 2.200 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cnn(C)c1 ZINC000624121285 350198851 /nfs/dbraw/zinc/19/88/51/350198851.db2.gz SHFKLSCVULQMMK-DZGCQCFKSA-N 2 1 264.417 2.193 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC000235413202 539769223 /nfs/dbraw/zinc/76/92/23/539769223.db2.gz WGASANSUOXVPJN-KGLIPLIRSA-N 2 1 260.381 2.269 20 0 CEADMP CCCC[C@H](CC)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666109 180221880 /nfs/dbraw/zinc/22/18/80/180221880.db2.gz IFQNEAIKDFVSNM-RRFJBIMHSA-N 2 1 254.418 2.408 20 0 CEADMP CCCC[C@H](CC)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666109 180221882 /nfs/dbraw/zinc/22/18/82/180221882.db2.gz IFQNEAIKDFVSNM-RRFJBIMHSA-N 2 1 254.418 2.408 20 0 CEADMP c1n[nH]cc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000624218364 350232933 /nfs/dbraw/zinc/23/29/33/350232933.db2.gz BYYFFNUKEYKPIV-MRXNPFEDSA-N 2 1 284.407 2.412 20 0 CEADMP c1n[nH]cc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000624218364 350232936 /nfs/dbraw/zinc/23/29/36/350232936.db2.gz BYYFFNUKEYKPIV-MRXNPFEDSA-N 2 1 284.407 2.412 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000235480843 539775618 /nfs/dbraw/zinc/77/56/18/539775618.db2.gz UHPCDLQHDLEZOS-IUODEOHRSA-N 2 1 250.361 2.488 20 0 CEADMP COc1c(C)cnc(C[N@@H+](C)C2CCC([NH3+])CC2)c1C ZINC000091847619 180271048 /nfs/dbraw/zinc/27/10/48/180271048.db2.gz SJBXTRIBBOKKQS-UHFFFAOYSA-N 2 1 277.412 2.409 20 0 CEADMP C[NH2+]C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000092347135 180366501 /nfs/dbraw/zinc/36/65/01/180366501.db2.gz RDPQVCGKPJDULV-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1 ZINC000106868600 186143922 /nfs/dbraw/zinc/14/39/22/186143922.db2.gz FCCFKAZIUHHZER-HUUCEWRRSA-N 2 1 290.407 2.420 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC)c1 ZINC000106868600 186143923 /nfs/dbraw/zinc/14/39/23/186143923.db2.gz FCCFKAZIUHHZER-HUUCEWRRSA-N 2 1 290.407 2.420 20 0 CEADMP COc1ccccc1[C@@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000130514708 365964712 /nfs/dbraw/zinc/96/47/12/365964712.db2.gz LZIIORQBOXPGEW-XOUADPBQSA-N 2 1 292.423 2.047 20 0 CEADMP CC[C@@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CC[C@@H]1[NH3+] ZINC000147500556 539801024 /nfs/dbraw/zinc/80/10/24/539801024.db2.gz QUQMQYLNCWARSO-KGLIPLIRSA-N 2 1 277.412 2.266 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2c(O)cccc2C1 ZINC000626028021 350634498 /nfs/dbraw/zinc/63/44/98/350634498.db2.gz SBRFIJCQHZXMKF-UHFFFAOYSA-N 2 1 271.364 2.346 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2c(O)cccc2C1 ZINC000626028021 350634500 /nfs/dbraw/zinc/63/45/00/350634500.db2.gz SBRFIJCQHZXMKF-UHFFFAOYSA-N 2 1 271.364 2.346 20 0 CEADMP CCCCOCC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000337078319 366010148 /nfs/dbraw/zinc/01/01/48/366010148.db2.gz SOHIANLDHSDXSX-SJORKVTESA-N 2 1 276.424 2.477 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC[C@H]2O)[C@H](C)C1 ZINC000569066868 299176233 /nfs/dbraw/zinc/17/62/33/299176233.db2.gz ZHKZVJPVSLPYLU-FXUDXRNXSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC[C@H]2O)[C@H](C)C1 ZINC000569066868 299176235 /nfs/dbraw/zinc/17/62/35/299176235.db2.gz ZHKZVJPVSLPYLU-FXUDXRNXSA-N 2 1 268.445 2.200 20 0 CEADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000629543762 351404937 /nfs/dbraw/zinc/40/49/37/351404937.db2.gz AYRARHUTYCYGIL-DARAHFNDSA-N 2 1 259.397 2.448 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)c(C)o1 ZINC000629524823 351389749 /nfs/dbraw/zinc/38/97/49/351389749.db2.gz QGNMACFGIJIAPO-NSHDSACASA-N 2 1 252.358 2.055 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2CC)C12CCCC2 ZINC000629527418 351391593 /nfs/dbraw/zinc/39/15/93/351391593.db2.gz VIQHKQBNYKGYNG-YJNKXOJESA-N 2 1 266.429 2.454 20 0 CEADMP Oc1ccc(Cl)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000629532725 351396122 /nfs/dbraw/zinc/39/61/22/351396122.db2.gz OOOQVWMPMUJFHG-TXEJJXNPSA-N 2 1 280.799 2.477 20 0 CEADMP CC(C)c1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629387972 351346171 /nfs/dbraw/zinc/34/61/71/351346171.db2.gz OLRIWLFHXWZTOI-UHFFFAOYSA-N 2 1 262.397 2.408 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1OC ZINC000629394891 351349274 /nfs/dbraw/zinc/34/92/74/351349274.db2.gz NIPHXDXQATYOBB-YDHLFZDLSA-N 2 1 292.423 2.365 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1CC=CC1 ZINC000629609141 351430666 /nfs/dbraw/zinc/43/06/66/351430666.db2.gz WTPOZFDZWPNFME-QGZVFWFLSA-N 2 1 274.408 2.035 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1CC=CC1 ZINC000629609141 351430671 /nfs/dbraw/zinc/43/06/71/351430671.db2.gz WTPOZFDZWPNFME-QGZVFWFLSA-N 2 1 274.408 2.035 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271434412 191135301 /nfs/dbraw/zinc/13/53/01/191135301.db2.gz DLUXAMQMPYLYHX-OFQRWUPVSA-N 2 1 262.397 2.010 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271434412 191135303 /nfs/dbraw/zinc/13/53/03/191135303.db2.gz DLUXAMQMPYLYHX-OFQRWUPVSA-N 2 1 262.397 2.010 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)C[NH2+]1 ZINC000629659472 351454447 /nfs/dbraw/zinc/45/44/47/351454447.db2.gz ANBXCPPSQOAYGK-BBRMVZONSA-N 2 1 274.408 2.284 20 0 CEADMP Cc1ccsc1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629661745 351455542 /nfs/dbraw/zinc/45/55/42/351455542.db2.gz BZZJVMSGUQZHNF-OKILXGFUSA-N 2 1 250.411 2.488 20 0 CEADMP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000629549519 351408947 /nfs/dbraw/zinc/40/89/47/351408947.db2.gz XYLSODPHBYFOBA-UOVPBQLFSA-N 2 1 287.451 2.237 20 0 CEADMP CCCCOCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560870 351414478 /nfs/dbraw/zinc/41/44/78/351414478.db2.gz GLWQZSZXBBCWGD-NWDGAFQWSA-N 2 1 282.350 2.262 20 0 CEADMP CCCCOCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560870 351414481 /nfs/dbraw/zinc/41/44/81/351414481.db2.gz GLWQZSZXBBCWGD-NWDGAFQWSA-N 2 1 282.350 2.262 20 0 CEADMP O[C@H](C[NH2+]CCc1cc2ccccc2o1)C[NH+]1CCCC1 ZINC000629563027 351416139 /nfs/dbraw/zinc/41/61/39/351416139.db2.gz DLECUQFMFBRFEF-OAHLLOKOSA-N 2 1 288.391 2.022 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000629571107 351418942 /nfs/dbraw/zinc/41/89/42/351418942.db2.gz IUTJJOPHIGIDAI-UHFFFAOYSA-N 2 1 289.379 2.009 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000629571107 351418947 /nfs/dbraw/zinc/41/89/47/351418947.db2.gz IUTJJOPHIGIDAI-UHFFFAOYSA-N 2 1 289.379 2.009 20 0 CEADMP C[N@@H+](CCOCC[NH3+])CCSc1ccc(Cl)cc1 ZINC000629574479 351419183 /nfs/dbraw/zinc/41/91/83/351419183.db2.gz IAEOIRPRQITBIY-UHFFFAOYSA-N 2 1 288.844 2.339 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629585338 351424108 /nfs/dbraw/zinc/42/41/08/351424108.db2.gz RWALXLIUXMNXPH-CALCHBBNSA-N 2 1 287.407 2.076 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629585338 351424111 /nfs/dbraw/zinc/42/41/11/351424111.db2.gz RWALXLIUXMNXPH-CALCHBBNSA-N 2 1 287.407 2.076 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000070164368 363041254 /nfs/dbraw/zinc/04/12/54/363041254.db2.gz HUUYEBDWUQQQEA-UHFFFAOYSA-N 2 1 289.427 2.098 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000070170577 363043949 /nfs/dbraw/zinc/04/39/49/363043949.db2.gz CKLUVCIUZKWQPI-CYBMUJFWSA-N 2 1 286.379 2.297 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000070171581 363045447 /nfs/dbraw/zinc/04/54/47/363045447.db2.gz XQCQEUNIROREPR-GXTWGEPZSA-N 2 1 276.380 2.017 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H](NCc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000630075753 351605232 /nfs/dbraw/zinc/60/52/32/351605232.db2.gz GOEIMDSBFRPYPK-QGZVFWFLSA-N 2 1 287.451 2.200 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000131231630 366033823 /nfs/dbraw/zinc/03/38/23/366033823.db2.gz XENPDRVZIHVZDN-BBRMVZONSA-N 2 1 274.408 2.094 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccc3F)C2)CC1 ZINC000291673078 198058714 /nfs/dbraw/zinc/05/87/14/198058714.db2.gz GRTUROPVGSJJEM-CQSZACIVSA-N 2 1 277.387 2.088 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)F)cc1 ZINC000131680832 366078209 /nfs/dbraw/zinc/07/82/09/366078209.db2.gz QLMNEYRAAJEJOK-CMPLNLGQSA-N 2 1 270.323 2.457 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)nc2)CC[N@H+]1C ZINC000122683967 187046180 /nfs/dbraw/zinc/04/61/80/187046180.db2.gz KPDPXPYZMHPOEC-WCQYABFASA-N 2 1 267.804 2.350 20 0 CEADMP COc1ccccc1OCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123357117 187087141 /nfs/dbraw/zinc/08/71/41/187087141.db2.gz ADCARAVNCYKCTM-CABCVRRESA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123357117 187087142 /nfs/dbraw/zinc/08/71/42/187087142.db2.gz ADCARAVNCYKCTM-CABCVRRESA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccccc1OCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123357117 187087143 /nfs/dbraw/zinc/08/71/43/187087143.db2.gz ADCARAVNCYKCTM-CABCVRRESA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccccc1OCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123357117 187087144 /nfs/dbraw/zinc/08/71/44/187087144.db2.gz ADCARAVNCYKCTM-CABCVRRESA-N 2 1 292.423 2.489 20 0 CEADMP COc1cncc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1C ZINC000631043866 351936091 /nfs/dbraw/zinc/93/60/91/351936091.db2.gz DGYZCLRPYXRBFJ-ZDUSSCGKSA-N 2 1 277.412 2.220 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cncc(OC)c2C)C1 ZINC000631049601 351937496 /nfs/dbraw/zinc/93/74/96/351937496.db2.gz LPVMGOMCTIZZCV-AWEZNQCLSA-N 2 1 277.412 2.220 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cncc(OC)c2C)C1 ZINC000631049601 351937500 /nfs/dbraw/zinc/93/75/00/351937500.db2.gz LPVMGOMCTIZZCV-AWEZNQCLSA-N 2 1 277.412 2.220 20 0 CEADMP COc1cncc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1C ZINC000631064421 351945433 /nfs/dbraw/zinc/94/54/33/351945433.db2.gz RXYGNCJQVAUVQN-LBPRGKRZSA-N 2 1 288.395 2.329 20 0 CEADMP Cc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(F)c1 ZINC000631127644 351977754 /nfs/dbraw/zinc/97/77/54/351977754.db2.gz RETXXAUWXFBVRK-UHFFFAOYSA-N 2 1 293.430 2.250 20 0 CEADMP O[C@H](C[NH2+]Cc1ccc2c(c1)CCCC2)C[NH+]1CCCC1 ZINC000292006250 198132834 /nfs/dbraw/zinc/13/28/34/198132834.db2.gz VHUUAIRWXJHUHY-GOSISDBHSA-N 2 1 288.435 2.112 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2)C1 ZINC000072859797 363172654 /nfs/dbraw/zinc/17/26/54/363172654.db2.gz ILGZDVNYGQBGMA-HNNXBMFYSA-N 2 1 289.423 2.289 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000072859797 363172659 /nfs/dbraw/zinc/17/26/59/363172659.db2.gz ILGZDVNYGQBGMA-HNNXBMFYSA-N 2 1 289.423 2.289 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000072859797 363172661 /nfs/dbraw/zinc/17/26/61/363172661.db2.gz ILGZDVNYGQBGMA-HNNXBMFYSA-N 2 1 289.423 2.289 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292038965 198142554 /nfs/dbraw/zinc/14/25/54/198142554.db2.gz AEYPKUPYPIEYRV-SFHVURJKSA-N 2 1 298.434 2.143 20 0 CEADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292038965 198142556 /nfs/dbraw/zinc/14/25/56/198142556.db2.gz AEYPKUPYPIEYRV-SFHVURJKSA-N 2 1 298.434 2.143 20 0 CEADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292038965 198142557 /nfs/dbraw/zinc/14/25/57/198142557.db2.gz AEYPKUPYPIEYRV-SFHVURJKSA-N 2 1 298.434 2.143 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cccc(C)c2)[C@H](C)C1 ZINC000271557582 191211791 /nfs/dbraw/zinc/21/17/91/191211791.db2.gz WFJBKMGBEAJHGN-HYVNUMGLSA-N 2 1 276.424 2.348 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CC[C@H](O)c3ccccc3)C2)C1 ZINC000292091654 198160197 /nfs/dbraw/zinc/16/01/97/198160197.db2.gz GVDCZQBVBOJYMA-IRXDYDNUSA-N 2 1 274.408 2.138 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CC[C@H](O)c3ccccc3)C2)C1 ZINC000292091654 198160199 /nfs/dbraw/zinc/16/01/99/198160199.db2.gz GVDCZQBVBOJYMA-IRXDYDNUSA-N 2 1 274.408 2.138 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](CC[C@H](O)c3ccccc3)C2)C1 ZINC000292091654 198160201 /nfs/dbraw/zinc/16/02/01/198160201.db2.gz GVDCZQBVBOJYMA-IRXDYDNUSA-N 2 1 274.408 2.138 20 0 CEADMP C[C@@H](c1cccnc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000271616910 191242331 /nfs/dbraw/zinc/24/23/31/191242331.db2.gz DFIVBTYIYPLSCA-HNNXBMFYSA-N 2 1 290.455 2.100 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000153751490 188101900 /nfs/dbraw/zinc/10/19/00/188101900.db2.gz OMRKLBPYNSRTLH-YOEHRIQHSA-N 2 1 276.424 2.478 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)[C@H](C)C1 ZINC000154081946 188121739 /nfs/dbraw/zinc/12/17/39/188121739.db2.gz ZYOFEEAWCVQXNO-KFWWJZLASA-N 2 1 279.428 2.202 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)[C@H](C)C1 ZINC000154081946 188121740 /nfs/dbraw/zinc/12/17/40/188121740.db2.gz ZYOFEEAWCVQXNO-KFWWJZLASA-N 2 1 279.428 2.202 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CCO1 ZINC000251726337 539990036 /nfs/dbraw/zinc/99/00/36/539990036.db2.gz SFASATPXHGOJJT-QLFBSQMISA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCc2ccc3c(c2)CCO3)CC[N@H+]1C ZINC000156337626 188256503 /nfs/dbraw/zinc/25/65/03/188256503.db2.gz KCZANOJMNUUHKL-XJKSGUPXSA-N 2 1 274.408 2.236 20 0 CEADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccncc1 ZINC000156611390 188272183 /nfs/dbraw/zinc/27/21/83/188272183.db2.gz GOZYTTNXMJPOIN-OAHLLOKOSA-N 2 1 290.455 2.006 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@H]1[NH3+] ZINC000251925865 539994631 /nfs/dbraw/zinc/99/46/31/539994631.db2.gz YUXWNQVNDAZJLA-DOTOQJQBSA-N 2 1 284.407 2.432 20 0 CEADMP OC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000157510672 188322267 /nfs/dbraw/zinc/32/22/67/188322267.db2.gz JSRWYVGCADVLIT-INIZCTEOSA-N 2 1 262.397 2.186 20 0 CEADMP Cc1cccnc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252789336 540007906 /nfs/dbraw/zinc/00/79/06/540007906.db2.gz XSLUROJAAPDUMD-HUUCEWRRSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cccnc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252789336 540007912 /nfs/dbraw/zinc/00/79/12/540007912.db2.gz XSLUROJAAPDUMD-HUUCEWRRSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000252898167 540009558 /nfs/dbraw/zinc/00/95/58/540009558.db2.gz FKIQYYOMFRRMSG-JKSUJKDBSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000252898167 540009561 /nfs/dbraw/zinc/00/95/61/540009561.db2.gz FKIQYYOMFRRMSG-JKSUJKDBSA-N 2 1 259.397 2.354 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)[C@H]1C ZINC000495000035 291010972 /nfs/dbraw/zinc/01/09/72/291010972.db2.gz SZELDDQXKGVTIE-LJISPDSOSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)[C@H]1C ZINC000495000035 291010974 /nfs/dbraw/zinc/01/09/74/291010974.db2.gz SZELDDQXKGVTIE-LJISPDSOSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CCC(C)(C)O1 ZINC000337282612 366123113 /nfs/dbraw/zinc/12/31/13/366123113.db2.gz XMHHYJJADIILIZ-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCC(C)(C)O1 ZINC000337282612 366123120 /nfs/dbraw/zinc/12/31/20/366123120.db2.gz XMHHYJJADIILIZ-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]CC2(CO)CCCC2)c2ccccc21 ZINC000132209342 366126518 /nfs/dbraw/zinc/12/65/18/366126518.db2.gz XYYAHSHWUDZGNZ-GJZGRUSLSA-N 2 1 260.381 2.274 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)Cc1ccccc1)C1CC1 ZINC000569569336 299210440 /nfs/dbraw/zinc/21/04/40/299210440.db2.gz YFTLXMARSIPTNM-QGZVFWFLSA-N 2 1 290.451 2.300 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)Cc1ccccc1)C1CC1 ZINC000569569336 299210443 /nfs/dbraw/zinc/21/04/43/299210443.db2.gz YFTLXMARSIPTNM-QGZVFWFLSA-N 2 1 290.451 2.300 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488412559 290396495 /nfs/dbraw/zinc/39/64/95/290396495.db2.gz OOKUBQUJZWNPCV-HUUCEWRRSA-N 2 1 286.485 2.217 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H]2COC3(CCCCCC3)O2)CC1 ZINC000133277082 366210740 /nfs/dbraw/zinc/21/07/40/366210740.db2.gz HHUFSTIXIRRZPM-OAHLLOKOSA-N 2 1 282.428 2.136 20 0 CEADMP COc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1O ZINC000133410324 366220892 /nfs/dbraw/zinc/22/08/92/366220892.db2.gz HJCAOILRKPIQHR-CYBMUJFWSA-N 2 1 266.385 2.206 20 0 CEADMP COc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1O ZINC000133410324 366220895 /nfs/dbraw/zinc/22/08/95/366220895.db2.gz HJCAOILRKPIQHR-CYBMUJFWSA-N 2 1 266.385 2.206 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000133479317 366228394 /nfs/dbraw/zinc/22/83/94/366228394.db2.gz NDPXDHDXHVQJRE-UHFFFAOYSA-N 2 1 284.201 2.015 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451615242 283051473 /nfs/dbraw/zinc/05/14/73/283051473.db2.gz TWKZLRGGMDVQHY-IAGOWNOFSA-N 2 1 291.439 2.358 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000669927839 540047795 /nfs/dbraw/zinc/04/77/95/540047795.db2.gz YLVPDCOCZGOGPL-VNHYZAJKSA-N 2 1 280.799 2.179 20 0 CEADMP CO[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000669927839 540047796 /nfs/dbraw/zinc/04/77/96/540047796.db2.gz YLVPDCOCZGOGPL-VNHYZAJKSA-N 2 1 280.799 2.179 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451696582 283076210 /nfs/dbraw/zinc/07/62/10/283076210.db2.gz GOUSHFCIEFOCQY-IXDOHACOSA-N 2 1 291.439 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451696582 283076212 /nfs/dbraw/zinc/07/62/12/283076212.db2.gz GOUSHFCIEFOCQY-IXDOHACOSA-N 2 1 291.439 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451696582 283076213 /nfs/dbraw/zinc/07/62/13/283076213.db2.gz GOUSHFCIEFOCQY-IXDOHACOSA-N 2 1 291.439 2.455 20 0 CEADMP Cc1nccn1CCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451696559 283076243 /nfs/dbraw/zinc/07/62/43/283076243.db2.gz GJBZJINIBKZBPF-OAGGEKHMSA-N 2 1 277.412 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451696559 283076245 /nfs/dbraw/zinc/07/62/45/283076245.db2.gz GJBZJINIBKZBPF-OAGGEKHMSA-N 2 1 277.412 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451696559 283076247 /nfs/dbraw/zinc/07/62/47/283076247.db2.gz GJBZJINIBKZBPF-OAGGEKHMSA-N 2 1 277.412 2.065 20 0 CEADMP CCC[N@H+](CC(=O)N(C(C)C)C(C)C)C1CC[NH2+]CC1 ZINC000037539165 283077627 /nfs/dbraw/zinc/07/76/27/283077627.db2.gz MJNZQXOPYUNGCL-UHFFFAOYSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[N@@H+](CC(=O)N(C(C)C)C(C)C)C1CC[NH2+]CC1 ZINC000037539165 283077633 /nfs/dbraw/zinc/07/76/33/283077633.db2.gz MJNZQXOPYUNGCL-UHFFFAOYSA-N 2 1 283.460 2.096 20 0 CEADMP COc1c(C)cc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1C ZINC000258924614 540118443 /nfs/dbraw/zinc/11/84/43/540118443.db2.gz OTQMAFCUFKFBMF-AWEZNQCLSA-N 2 1 262.397 2.353 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000271791340 191330383 /nfs/dbraw/zinc/33/03/83/191330383.db2.gz GSJPPMYBXQHUAQ-UHFFFAOYSA-N 2 1 290.798 2.339 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000271821316 191348488 /nfs/dbraw/zinc/34/84/88/191348488.db2.gz NACDCBURBKMCCI-UHFFFAOYSA-N 2 1 252.308 2.316 20 0 CEADMP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000347307047 540155891 /nfs/dbraw/zinc/15/58/91/540155891.db2.gz HZDSAROSVWLPBL-ILXRZTDVSA-N 2 1 255.450 2.037 20 0 CEADMP CCc1nn(C)cc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000682953768 540169332 /nfs/dbraw/zinc/16/93/32/540169332.db2.gz RPGVBPIZRMUSJW-UHFFFAOYSA-N 2 1 278.444 2.194 20 0 CEADMP CC(C)[N@H+](C)CC1CC[NH+](CCC[C@H](C)O)CC1 ZINC000574251296 314200590 /nfs/dbraw/zinc/20/05/90/314200590.db2.gz DECVKCOCHZNREF-AWEZNQCLSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H](C)[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000451820237 283116083 /nfs/dbraw/zinc/11/60/83/283116083.db2.gz CZPUMTWMEXJWEG-CVEARBPZSA-N 2 1 267.461 2.277 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+]CC2(C)CC2)CC1 ZINC000683771433 540203389 /nfs/dbraw/zinc/20/33/89/540203389.db2.gz BQBDDHXIRYEMJV-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC(=O)CC12CCC2 ZINC000570057220 299234633 /nfs/dbraw/zinc/23/46/33/299234633.db2.gz WHFFJRLLJSEPCM-ZDUSSCGKSA-N 2 1 250.386 2.058 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCO2)[C@H]2CCC[C@@H]21 ZINC000353514255 283139157 /nfs/dbraw/zinc/13/91/57/283139157.db2.gz BZTXCUJGQVHQFB-QPSCCSFWSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)COC(=O)N1CCC([NH2+][C@H](C[NH3+])CC(C)C)CC1 ZINC000495882871 291088047 /nfs/dbraw/zinc/08/80/47/291088047.db2.gz AHAQSAMNKLCHFY-HNNXBMFYSA-N 2 1 299.459 2.206 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000338230706 366244414 /nfs/dbraw/zinc/24/44/14/366244414.db2.gz IOFWYNJFJLIITD-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC[NH3+] ZINC000414756062 540245650 /nfs/dbraw/zinc/24/56/50/540245650.db2.gz QDVLZMGJRHDZLY-CYBMUJFWSA-N 2 1 256.777 2.308 20 0 CEADMP c1nc(C2CC2)c(C[NH2+]CCC[NH2+]C2CC2)s1 ZINC000415070279 540249408 /nfs/dbraw/zinc/24/94/08/540249408.db2.gz QKTAUIOJNMBGBF-UHFFFAOYSA-N 2 1 251.399 2.252 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000338277642 366267528 /nfs/dbraw/zinc/26/75/28/366267528.db2.gz GBBDMGCXYDLCED-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000338277642 366267534 /nfs/dbraw/zinc/26/75/34/366267534.db2.gz GBBDMGCXYDLCED-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCCC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000338290374 366275961 /nfs/dbraw/zinc/27/59/61/366275961.db2.gz RWLZJXFPOHAEMT-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000338315116 366291527 /nfs/dbraw/zinc/29/15/27/366291527.db2.gz LHQZOZVBLMWHJY-OAHLLOKOSA-N 2 1 271.364 2.175 20 0 CEADMP CC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000075743638 363486790 /nfs/dbraw/zinc/48/67/90/363486790.db2.gz BKPORFLQZCBMKX-ARFHVFGLSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000075743638 363486800 /nfs/dbraw/zinc/48/68/00/363486800.db2.gz BKPORFLQZCBMKX-ARFHVFGLSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000075743638 363486808 /nfs/dbraw/zinc/48/68/08/363486808.db2.gz BKPORFLQZCBMKX-ARFHVFGLSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000076182779 363528302 /nfs/dbraw/zinc/52/83/02/363528302.db2.gz JWDARQDSAXHDLZ-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCCCO)CC1 ZINC000134701484 366353495 /nfs/dbraw/zinc/35/34/95/366353495.db2.gz WKCUHRXZSZJYAI-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](CCCCCO)CC1 ZINC000134701484 366353500 /nfs/dbraw/zinc/35/35/00/366353500.db2.gz WKCUHRXZSZJYAI-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP C[N@@H+](CCN1CC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000575736125 366354437 /nfs/dbraw/zinc/35/44/37/366354437.db2.gz DGIDOLNNIWUQFP-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OC ZINC000386802864 540265001 /nfs/dbraw/zinc/26/50/01/540265001.db2.gz OFAGWWVWZYNKQC-YOEHRIQHSA-N 2 1 290.407 2.265 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](CC)C(=O)OCC ZINC000414761928 283280675 /nfs/dbraw/zinc/28/06/75/283280675.db2.gz VBYIKIMNIPMPJC-KFWWJZLASA-N 2 1 284.444 2.428 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1F ZINC000166061703 540330147 /nfs/dbraw/zinc/33/01/47/540330147.db2.gz ZBKUBEWSMXNZFR-QWRGUYRKSA-N 2 1 252.333 2.003 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1F ZINC000166061703 540330151 /nfs/dbraw/zinc/33/01/51/540330151.db2.gz ZBKUBEWSMXNZFR-QWRGUYRKSA-N 2 1 252.333 2.003 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CCCOCc2ccccc2)C1 ZINC000310015925 540334078 /nfs/dbraw/zinc/33/40/78/540334078.db2.gz NVRXIQPIGHUSIY-MRXNPFEDSA-N 2 1 262.397 2.264 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000496262771 291123070 /nfs/dbraw/zinc/12/30/70/291123070.db2.gz KEAMRGDGKOYJDP-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000496262771 291123073 /nfs/dbraw/zinc/12/30/73/291123073.db2.gz KEAMRGDGKOYJDP-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414318574 236334888 /nfs/dbraw/zinc/33/48/88/236334888.db2.gz XZCQRIPNYZDNCZ-LNCBFAARSA-N 2 1 294.414 2.220 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000353319185 283334437 /nfs/dbraw/zinc/33/44/37/283334437.db2.gz PRXYVHDDUBURNM-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP COc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000158942394 540395005 /nfs/dbraw/zinc/39/50/05/540395005.db2.gz NEEZACXBOBNXMR-HIFRSBDPSA-N 2 1 262.397 2.310 20 0 CEADMP CC[C@@H](C)[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)OC ZINC000294757927 199168830 /nfs/dbraw/zinc/16/88/30/199168830.db2.gz IVJRLRLBIUHFKQ-DOMZBBRYSA-N 2 1 265.401 2.298 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000578248208 366468141 /nfs/dbraw/zinc/46/81/41/366468141.db2.gz YWDCUKCRVPCNGC-DLBZAZTESA-N 3 1 275.440 2.498 20 0 CEADMP C[N@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000578334766 366479401 /nfs/dbraw/zinc/47/94/01/366479401.db2.gz XEEUSGQDLRISIE-KRWDZBQOSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000578334766 366479402 /nfs/dbraw/zinc/47/94/02/366479402.db2.gz XEEUSGQDLRISIE-KRWDZBQOSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000578334766 366479404 /nfs/dbraw/zinc/47/94/04/366479404.db2.gz XEEUSGQDLRISIE-KRWDZBQOSA-N 2 1 287.451 2.287 20 0 CEADMP COc1nc2ccccc2cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000578619067 366521218 /nfs/dbraw/zinc/52/12/18/366521218.db2.gz NYKUQJYGEJDZBN-WFASDCNBSA-N 2 1 285.391 2.331 20 0 CEADMP CN(C)c1nc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cs1 ZINC000671749672 540499384 /nfs/dbraw/zinc/49/93/84/540499384.db2.gz GJOIIEDHAGVEQJ-BFHYXJOUSA-N 2 1 294.468 2.172 20 0 CEADMP CN(C)c1nc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cs1 ZINC000671749672 540499387 /nfs/dbraw/zinc/49/93/87/540499387.db2.gz GJOIIEDHAGVEQJ-BFHYXJOUSA-N 2 1 294.468 2.172 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671761126 540505013 /nfs/dbraw/zinc/50/50/13/540505013.db2.gz GYYUCVPZHJVBKM-JTQLQIEISA-N 2 1 286.335 2.160 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671770630 540508126 /nfs/dbraw/zinc/50/81/26/540508126.db2.gz HRWWMRPLKAQIFH-PMPSAXMXSA-N 2 1 265.445 2.077 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671770630 540508130 /nfs/dbraw/zinc/50/81/30/540508130.db2.gz HRWWMRPLKAQIFH-PMPSAXMXSA-N 2 1 265.445 2.077 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671770630 540508133 /nfs/dbraw/zinc/50/81/33/540508133.db2.gz HRWWMRPLKAQIFH-PMPSAXMXSA-N 2 1 265.445 2.077 20 0 CEADMP CCn1c(C[NH2+][C@H]2CCC[NH2+]CC2)nc2ccccc21 ZINC000666855145 540510270 /nfs/dbraw/zinc/51/02/70/540510270.db2.gz AEGDREUQQJALQW-ZDUSSCGKSA-N 2 1 272.396 2.288 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccnn1CC1CC1 ZINC000668172497 540578457 /nfs/dbraw/zinc/57/84/57/540578457.db2.gz OXPRLDZOYWNLIR-CJNGLKHVSA-N 2 1 276.428 2.065 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)n1C ZINC000668146467 540572862 /nfs/dbraw/zinc/57/28/62/540572862.db2.gz HTSOCLUJJPTNAV-GFCCVEGCSA-N 2 1 291.317 2.008 20 0 CEADMP CC(C)[C@@H]1CN(Cc2cnc3n2CCC3)CCCO1 ZINC000668199552 540584583 /nfs/dbraw/zinc/58/45/83/540584583.db2.gz YFKABNTXFZMYKU-AWEZNQCLSA-N 2 1 263.385 2.076 20 0 CEADMP CCC[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000578899052 366564586 /nfs/dbraw/zinc/56/45/86/366564586.db2.gz LOFZMOCRSRSRSW-KRWDZBQOSA-N 2 1 274.408 2.333 20 0 CEADMP CCC[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000578899052 366564593 /nfs/dbraw/zinc/56/45/93/366564593.db2.gz LOFZMOCRSRSRSW-KRWDZBQOSA-N 2 1 274.408 2.333 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(O)ccc1Br ZINC000579008928 366579996 /nfs/dbraw/zinc/57/99/96/366579996.db2.gz HAEHIJRCRMXIGK-DTWKUNHWSA-N 2 1 287.201 2.370 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000579138791 366601259 /nfs/dbraw/zinc/60/12/59/366601259.db2.gz WTVYOFVIJYVJBR-MRXNPFEDSA-N 2 1 290.455 2.303 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2ccncc2)CC1 ZINC000298175793 200352936 /nfs/dbraw/zinc/35/29/36/200352936.db2.gz VLCCAGHWGZOVID-UHFFFAOYSA-N 2 1 261.413 2.429 20 0 CEADMP CC[N@@H+](CCn1ccnc1)C[C@H]1COc2ccccc2O1 ZINC000176935206 189015171 /nfs/dbraw/zinc/01/51/71/189015171.db2.gz GLZMBTCUUGCNQC-AWEZNQCLSA-N 2 1 287.363 2.045 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000178233334 189099636 /nfs/dbraw/zinc/09/96/36/189099636.db2.gz VCWUDPUFTNOYIN-KEYYUXOJSA-N 2 1 288.435 2.482 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2cccc(NC(C)=O)c2)CC1 ZINC000675748441 540870686 /nfs/dbraw/zinc/87/06/86/540870686.db2.gz YMEYNUYXNRAAER-UHFFFAOYSA-N 2 1 275.396 2.219 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc(C)cs2)[C@@H](C)C1 ZINC000675748133 540871132 /nfs/dbraw/zinc/87/11/32/540871132.db2.gz BNGNQTAMYRIJFW-AAEUAGOBSA-N 2 1 267.442 2.314 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000675752433 540871197 /nfs/dbraw/zinc/87/11/97/540871197.db2.gz VCZADWPSSRMTLU-CBBWQLFWSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc2nccn21 ZINC000179423508 189193220 /nfs/dbraw/zinc/19/32/20/189193220.db2.gz RYXCHQCKAHFMCI-CYBMUJFWSA-N 2 1 283.379 2.265 20 0 CEADMP C[N@H+](Cc1cnn2ccccc12)CC1CC[NH+](C)CC1 ZINC000179448161 189195179 /nfs/dbraw/zinc/19/51/79/189195179.db2.gz SCNVSCGJZUSCQO-UHFFFAOYSA-N 2 1 272.396 2.108 20 0 CEADMP Cc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)nn1C ZINC000676039563 540891385 /nfs/dbraw/zinc/89/13/85/540891385.db2.gz LLXJKRQNDQNMDD-UHFFFAOYSA-N 2 1 278.444 2.281 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)Cc2cnn3ccccc23)CCN1C ZINC000179905433 189227122 /nfs/dbraw/zinc/22/71/22/189227122.db2.gz FQXVEVFCEQUOPE-DZGCQCFKSA-N 2 1 272.396 2.249 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cnn3ccccc23)CCN1C ZINC000179905433 189227123 /nfs/dbraw/zinc/22/71/23/189227123.db2.gz FQXVEVFCEQUOPE-DZGCQCFKSA-N 2 1 272.396 2.249 20 0 CEADMP C1CC1[N@@H+]1CCC[C@H]2C[NH+]([C@@H]3CCCOC3)CC[C@@H]21 ZINC000676712099 540947709 /nfs/dbraw/zinc/94/77/09/540947709.db2.gz DXRCKZOBECHIDM-IMJJTQAJSA-N 2 1 264.413 2.114 20 0 CEADMP C1CC1[N@H+]1CCC[C@H]2C[NH+]([C@@H]3CCCOC3)CC[C@@H]21 ZINC000676712099 540947713 /nfs/dbraw/zinc/94/77/13/540947713.db2.gz DXRCKZOBECHIDM-IMJJTQAJSA-N 2 1 264.413 2.114 20 0 CEADMP C1CC1[NH+]1CCC[C@H]2C[N@@H+]([C@@H]3CCCOC3)CC[C@@H]21 ZINC000676712099 540947716 /nfs/dbraw/zinc/94/77/16/540947716.db2.gz DXRCKZOBECHIDM-IMJJTQAJSA-N 2 1 264.413 2.114 20 0 CEADMP C1CC1[NH+]1CCC[C@H]2C[N@H+]([C@@H]3CCCOC3)CC[C@@H]21 ZINC000676712099 540947719 /nfs/dbraw/zinc/94/77/19/540947719.db2.gz DXRCKZOBECHIDM-IMJJTQAJSA-N 2 1 264.413 2.114 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3nccn32)[C@H](C)C1 ZINC000180415454 189254035 /nfs/dbraw/zinc/25/40/35/189254035.db2.gz NBJZKYNEYOZTSM-GDBMZVCRSA-N 2 1 286.423 2.496 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3nccn32)[C@H](C)C1 ZINC000180415454 189254036 /nfs/dbraw/zinc/25/40/36/189254036.db2.gz NBJZKYNEYOZTSM-GDBMZVCRSA-N 2 1 286.423 2.496 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3nccn32)[C@H](C)C1 ZINC000180415454 189254037 /nfs/dbraw/zinc/25/40/37/189254037.db2.gz NBJZKYNEYOZTSM-GDBMZVCRSA-N 2 1 286.423 2.496 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3nccn32)[C@H](C)C1 ZINC000180415454 189254038 /nfs/dbraw/zinc/25/40/38/189254038.db2.gz NBJZKYNEYOZTSM-GDBMZVCRSA-N 2 1 286.423 2.496 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000579831891 366710624 /nfs/dbraw/zinc/71/06/24/366710624.db2.gz BDSQCTSMCMOYJA-GOEBONIOSA-N 2 1 289.423 2.067 20 0 CEADMP COc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cn1 ZINC000579777478 366699882 /nfs/dbraw/zinc/69/98/82/366699882.db2.gz QXDSIXCMUMTZGX-CABCVRRESA-N 2 1 275.396 2.006 20 0 CEADMP CC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182264568 189318462 /nfs/dbraw/zinc/31/84/62/189318462.db2.gz FMNDBIIGTHSYEW-CJNGLKHVSA-N 2 1 262.397 2.141 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000638699947 370695274 /nfs/dbraw/zinc/69/52/74/370695274.db2.gz DKWUROHDVPRPEF-FVPDABNVSA-N 2 1 293.455 2.039 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000638699947 370695268 /nfs/dbraw/zinc/69/52/68/370695268.db2.gz DKWUROHDVPRPEF-FVPDABNVSA-N 2 1 293.455 2.039 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000580084056 366747717 /nfs/dbraw/zinc/74/77/17/366747717.db2.gz KQXCELPFLHYEBZ-ZFWWWQNUSA-N 2 1 282.815 2.100 20 0 CEADMP Cc1nccn1CC[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000677981093 541064259 /nfs/dbraw/zinc/06/42/59/541064259.db2.gz UJWOXHIAMXUYJM-CALCHBBNSA-N 2 1 296.418 2.260 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000340119016 366777439 /nfs/dbraw/zinc/77/74/39/366777439.db2.gz DYMKCBJEQHNBDA-OAGGEKHMSA-N 2 1 295.471 2.132 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000154545748 366778072 /nfs/dbraw/zinc/77/80/72/366778072.db2.gz QRTVYKFIPNZGAE-QLFBSQMISA-N 2 1 297.487 2.377 20 0 CEADMP CN(CCC[NH3+])CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000571761668 299327480 /nfs/dbraw/zinc/32/74/80/299327480.db2.gz NKNBHKQPZHCNJO-UHFFFAOYSA-N 3 1 277.456 2.425 20 0 CEADMP Cc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)nc(C)[nH+]1 ZINC000270196140 541115965 /nfs/dbraw/zinc/11/59/65/541115965.db2.gz PFKLXWLFGLKMPH-OAHLLOKOSA-N 2 1 274.412 2.262 20 0 CEADMP C[C@@H](CCCCO)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000679331851 541257961 /nfs/dbraw/zinc/25/79/61/541257961.db2.gz BWTDITMOHQCVRO-ILXRZTDVSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@@H](CCCCO)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000679331851 541257964 /nfs/dbraw/zinc/25/79/64/541257964.db2.gz BWTDITMOHQCVRO-ILXRZTDVSA-N 2 1 256.434 2.248 20 0 CEADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[C@H]2CCCO[C@@H]21 ZINC000085674312 363836015 /nfs/dbraw/zinc/83/60/15/363836015.db2.gz KRKZPWPCNJRNCB-XZDPQHSOSA-N 2 1 278.440 2.264 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000084622858 363815851 /nfs/dbraw/zinc/81/58/51/363815851.db2.gz GEWNAFMPTHZJKG-INIZCTEOSA-N 2 1 260.381 2.271 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000084622858 363815856 /nfs/dbraw/zinc/81/58/56/363815856.db2.gz GEWNAFMPTHZJKG-INIZCTEOSA-N 2 1 260.381 2.271 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C12CCC2 ZINC000087710711 363867349 /nfs/dbraw/zinc/86/73/49/363867349.db2.gz JUKOYODTFSLZMB-RRFJBIMHSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H](CCCCO)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000679355894 541262448 /nfs/dbraw/zinc/26/24/48/541262448.db2.gz UABMMQSWVCCXRV-INIZCTEOSA-N 2 1 298.471 2.162 20 0 CEADMP C[C@H](CCCCO)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000679355896 541262868 /nfs/dbraw/zinc/26/28/68/541262868.db2.gz UABMMQSWVCCXRV-MRXNPFEDSA-N 2 1 298.471 2.162 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(O)CCCCCC1 ZINC000087088776 363840570 /nfs/dbraw/zinc/84/05/70/363840570.db2.gz MOKRZYPODRQHJL-RBSFLKMASA-N 2 1 268.445 2.390 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164053 363880392 /nfs/dbraw/zinc/88/03/92/363880392.db2.gz ZDPZROAGAGAKKB-AGUYFDCRSA-N 2 1 262.401 2.131 20 0 CEADMP C[NH2+]CCC[N@@H+](C)[C@H](C)Cc1ccccc1OC ZINC000088194349 363880617 /nfs/dbraw/zinc/88/06/17/363880617.db2.gz HTZXBXMPPSJQRF-CYBMUJFWSA-N 2 1 250.386 2.168 20 0 CEADMP C[C@@H]([NH2+]C1CSC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679841231 541324597 /nfs/dbraw/zinc/32/45/97/541324597.db2.gz SUNZFSSALUGVIE-VXGBXAGGSA-N 2 1 254.443 2.344 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000089615583 363983442 /nfs/dbraw/zinc/98/34/42/363983442.db2.gz SOOPSSSKBUBPFL-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000089615583 363983446 /nfs/dbraw/zinc/98/34/46/363983446.db2.gz SOOPSSSKBUBPFL-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000089615583 363983448 /nfs/dbraw/zinc/98/34/48/363983448.db2.gz SOOPSSSKBUBPFL-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000089615583 363983451 /nfs/dbraw/zinc/98/34/51/363983451.db2.gz SOOPSSSKBUBPFL-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP CN(Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253775 364075446 /nfs/dbraw/zinc/07/54/46/364075446.db2.gz SWMCRXIRQYTUMK-CYBMUJFWSA-N 2 1 278.444 2.481 20 0 CEADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(OC)c1 ZINC000093088563 364139050 /nfs/dbraw/zinc/13/90/50/364139050.db2.gz WMNCTBCWWWQBTP-UHFFFAOYSA-N 2 1 292.423 2.477 20 0 CEADMP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(-n2ccnc2)cs1 ZINC000334664918 364152277 /nfs/dbraw/zinc/15/22/77/364152277.db2.gz KPYHOXZPZZTXNA-ONXXMXGDSA-N 2 1 289.404 2.422 20 0 CEADMP COc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000093513761 364195930 /nfs/dbraw/zinc/19/59/30/364195930.db2.gz YPTRDALAPXTVJJ-HIFRSBDPSA-N 2 1 277.412 2.491 20 0 CEADMP [NH3+]CCCOC1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000094070525 364250824 /nfs/dbraw/zinc/25/08/24/364250824.db2.gz LOSWMKUUILQZDY-UHFFFAOYSA-N 2 1 284.350 2.295 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638815535 370771367 /nfs/dbraw/zinc/77/13/67/370771367.db2.gz IXSDJHFUXALNAU-UONOGXRCSA-N 2 1 292.427 2.127 20 0 CEADMP CSc1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000334995932 364326423 /nfs/dbraw/zinc/32/64/23/364326423.db2.gz HEEMLRHUKCWCKY-OCCSQVGLSA-N 2 1 262.422 2.450 20 0 CEADMP Cc1ncsc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334869081 364281933 /nfs/dbraw/zinc/28/19/33/364281933.db2.gz OMLDZWZXLBCKMN-STQMWFEESA-N 2 1 265.426 2.416 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cccn2)CC[N@H+]1C ZINC000094627626 364284807 /nfs/dbraw/zinc/28/48/07/364284807.db2.gz YIQUHUCPPJTJGC-HOCLYGCPSA-N 2 1 284.407 2.445 20 0 CEADMP Cc1cccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn21 ZINC000334979933 364303679 /nfs/dbraw/zinc/30/36/79/364303679.db2.gz KPWFXCNXMONLGQ-JKSUJKDBSA-N 2 1 298.434 2.464 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CC[S@](=O)C(C)(C)CC1 ZINC000335039451 364388133 /nfs/dbraw/zinc/38/81/33/364388133.db2.gz DRWKNJTYYVGBAU-LIRRHRJNSA-N 2 1 286.485 2.094 20 0 CEADMP FC(F)(F)CO[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000581924433 366834915 /nfs/dbraw/zinc/83/49/15/366834915.db2.gz ANHMWMWKNFSBBQ-LBPRGKRZSA-N 2 1 280.334 2.029 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(NC(N)=O)cc1 ZINC000156330879 366830471 /nfs/dbraw/zinc/83/04/71/366830471.db2.gz DQNPARILSQPAEL-HUBLWGQQSA-N 2 1 290.411 2.311 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(NC(N)=O)cc1 ZINC000156330879 366830477 /nfs/dbraw/zinc/83/04/77/366830477.db2.gz DQNPARILSQPAEL-HUBLWGQQSA-N 2 1 290.411 2.311 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CC(C)C)C1 ZINC000582011214 366848861 /nfs/dbraw/zinc/84/88/61/366848861.db2.gz UEGJNQANQVWQOW-GJZGRUSLSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000582011214 366848868 /nfs/dbraw/zinc/84/88/68/366848868.db2.gz UEGJNQANQVWQOW-GJZGRUSLSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000582011214 366848875 /nfs/dbraw/zinc/84/88/75/366848875.db2.gz UEGJNQANQVWQOW-GJZGRUSLSA-N 2 1 256.434 2.057 20 0 CEADMP C[N@H+](Cc1cc(F)cc2cccnc21)C1CC([NH3+])C1 ZINC000335659875 212379161 /nfs/dbraw/zinc/37/91/61/212379161.db2.gz NBJQLOCDMNVQDM-UHFFFAOYSA-N 2 1 259.328 2.295 20 0 CEADMP C[N@@H+](Cc1cc(F)cc2cccnc21)C1CC([NH3+])C1 ZINC000335659875 212379163 /nfs/dbraw/zinc/37/91/63/212379163.db2.gz NBJQLOCDMNVQDM-UHFFFAOYSA-N 2 1 259.328 2.295 20 0 CEADMP Cc1nc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cs1 ZINC000158577564 366858250 /nfs/dbraw/zinc/85/82/50/366858250.db2.gz CWBDVBGUCFJBTI-OCCSQVGLSA-N 2 1 265.426 2.368 20 0 CEADMP CC(C)CCC[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000104140366 364680903 /nfs/dbraw/zinc/68/09/03/364680903.db2.gz OOMLZJDOSPSCDT-UHFFFAOYSA-N 2 1 255.450 2.038 20 0 CEADMP Cn1c2ccccc2nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335632596 212347320 /nfs/dbraw/zinc/34/73/20/212347320.db2.gz HTDBWNGZNHJQBB-GJZGRUSLSA-N 2 1 298.434 2.395 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000112401294 364805278 /nfs/dbraw/zinc/80/52/78/364805278.db2.gz RFVDENMEXPINJF-ZNMIVQPWSA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[NH+](C)CCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000112401294 364805280 /nfs/dbraw/zinc/80/52/80/364805280.db2.gz RFVDENMEXPINJF-ZNMIVQPWSA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[NH+](C)CCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000112401294 364805281 /nfs/dbraw/zinc/80/52/81/364805281.db2.gz RFVDENMEXPINJF-ZNMIVQPWSA-N 2 1 283.460 2.096 20 0 CEADMP Cc1cccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000335464629 364768522 /nfs/dbraw/zinc/76/85/22/364768522.db2.gz XORWIALXNJBJGR-DOTOQJQBSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1cccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000335464629 364768525 /nfs/dbraw/zinc/76/85/25/364768525.db2.gz XORWIALXNJBJGR-DOTOQJQBSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1cccc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000335464629 364768530 /nfs/dbraw/zinc/76/85/30/364768530.db2.gz XORWIALXNJBJGR-DOTOQJQBSA-N 2 1 273.424 2.349 20 0 CEADMP Oc1cc(F)cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335636046 212351523 /nfs/dbraw/zinc/35/15/23/212351523.db2.gz UKSZHIALEAKCNI-UONOGXRCSA-N 2 1 278.371 2.353 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)c(F)c2)CC[NH2+]1 ZINC000335635952 212350066 /nfs/dbraw/zinc/35/00/66/212350066.db2.gz AQEXVLKIEAIGBN-WPRPVWTQSA-N 2 1 258.287 2.334 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])CCCC2 ZINC000335614342 212327285 /nfs/dbraw/zinc/32/72/85/212327285.db2.gz XRQRDAZYUVYFPK-DZGCQCFKSA-N 2 1 276.428 2.049 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000114479672 364948131 /nfs/dbraw/zinc/94/81/31/364948131.db2.gz MHWBESGGVRUIRO-MRXNPFEDSA-N 2 1 284.407 2.256 20 0 CEADMP CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000117346383 365104650 /nfs/dbraw/zinc/10/46/50/365104650.db2.gz JWALARCQBUYMKY-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000117346383 365104658 /nfs/dbraw/zinc/10/46/58/365104658.db2.gz JWALARCQBUYMKY-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](CC)CCN1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119993483 365357036 /nfs/dbraw/zinc/35/70/36/365357036.db2.gz WBXAWRZPROESSV-HNNXBMFYSA-N 2 1 278.444 2.016 20 0 CEADMP CC(C)CC(CC(C)C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000582176233 366874186 /nfs/dbraw/zinc/87/41/86/366874186.db2.gz JARZWTDFNRAYJU-MRXNPFEDSA-N 2 1 270.461 2.492 20 0 CEADMP CC(C)CC(CC(C)C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000582176233 366874189 /nfs/dbraw/zinc/87/41/89/366874189.db2.gz JARZWTDFNRAYJU-MRXNPFEDSA-N 2 1 270.461 2.492 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119847573 365334264 /nfs/dbraw/zinc/33/42/64/365334264.db2.gz CXGKRSWEBQTTFG-UYSNPLJNSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000120921940 365495034 /nfs/dbraw/zinc/49/50/34/365495034.db2.gz CNIYYFIZJUXWPD-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000340485082 366904779 /nfs/dbraw/zinc/90/47/79/366904779.db2.gz QNYNRYGVROXXTK-KBMXLJTQSA-N 2 1 268.445 2.105 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@]1(C)CCCO1 ZINC000340509030 366913576 /nfs/dbraw/zinc/91/35/76/366913576.db2.gz JQYFVJAZLGMSSX-OWCLPIDISA-N 2 1 284.444 2.035 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@]1(C)CCCO1 ZINC000340509030 366913584 /nfs/dbraw/zinc/91/35/84/366913584.db2.gz JQYFVJAZLGMSSX-OWCLPIDISA-N 2 1 284.444 2.035 20 0 CEADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000582481493 366916583 /nfs/dbraw/zinc/91/65/83/366916583.db2.gz KYWMREIMBRIYGQ-ZFWWWQNUSA-N 2 1 275.396 2.054 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000583078122 366997815 /nfs/dbraw/zinc/99/78/15/366997815.db2.gz MNVFPWVCJWULJR-ZBFHGGJFSA-N 2 1 273.424 2.260 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC([NH2+]C2CCCC2)CC1 ZINC000161800594 367113789 /nfs/dbraw/zinc/11/37/89/367113789.db2.gz YEOALNCLYINIAS-KRWDZBQOSA-N 2 1 279.472 2.467 20 0 CEADMP CC(C)C[C@@H]1COCCN1CC[C@H]1CCC[N@H+]1C ZINC000245694715 370858840 /nfs/dbraw/zinc/85/88/40/370858840.db2.gz WPXYYTHOWBMCJK-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP COC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000162870062 367199107 /nfs/dbraw/zinc/19/91/07/367199107.db2.gz PFQOYVIFFWGBCT-XHSDSOJGSA-N 2 1 286.460 2.136 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000164074826 367276174 /nfs/dbraw/zinc/27/61/74/367276174.db2.gz QKQHFGPJUVMHQL-OLZOCXBDSA-N 2 1 299.459 2.362 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000164074616 367276222 /nfs/dbraw/zinc/27/62/22/367276222.db2.gz QKQHFGPJUVMHQL-CHWSQXEVSA-N 2 1 299.459 2.362 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000163288025 367228121 /nfs/dbraw/zinc/22/81/21/367228121.db2.gz OBQRVWXZTNLQOF-RYUDHWBXSA-N 2 1 251.349 2.213 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000163288025 367228129 /nfs/dbraw/zinc/22/81/29/367228129.db2.gz OBQRVWXZTNLQOF-RYUDHWBXSA-N 2 1 251.349 2.213 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000163278875 367229039 /nfs/dbraw/zinc/22/90/39/367229039.db2.gz GLAWBAMIMCIHIA-GOEBONIOSA-N 2 1 287.411 2.361 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000163278875 367229044 /nfs/dbraw/zinc/22/90/44/367229044.db2.gz GLAWBAMIMCIHIA-GOEBONIOSA-N 2 1 287.411 2.361 20 0 CEADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000341245746 367241716 /nfs/dbraw/zinc/24/17/16/367241716.db2.gz DREIBSRXJHIGSK-RBSFLKMASA-N 2 1 278.444 2.467 20 0 CEADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000341245746 367241725 /nfs/dbraw/zinc/24/17/25/367241725.db2.gz DREIBSRXJHIGSK-RBSFLKMASA-N 2 1 278.444 2.467 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@H+](CCn3ccnc3)C2)[nH+]1 ZINC000163462050 367242187 /nfs/dbraw/zinc/24/21/87/367242187.db2.gz ARIRGEOPQDODBT-OAHLLOKOSA-N 2 1 285.395 2.021 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCn3ccnc3)C2)[nH+]1 ZINC000163462050 367242192 /nfs/dbraw/zinc/24/21/92/367242192.db2.gz ARIRGEOPQDODBT-OAHLLOKOSA-N 2 1 285.395 2.021 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCCn2ccnc2C)[C@H](C)C1 ZINC000164619141 367290178 /nfs/dbraw/zinc/29/01/78/367290178.db2.gz WUQLDARMBJGLLQ-ZBFHGGJFSA-N 2 1 278.444 2.292 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000164619141 367290183 /nfs/dbraw/zinc/29/01/83/367290183.db2.gz WUQLDARMBJGLLQ-ZBFHGGJFSA-N 3 1 278.444 2.292 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000164619141 367290186 /nfs/dbraw/zinc/29/01/86/367290186.db2.gz WUQLDARMBJGLLQ-ZBFHGGJFSA-N 3 1 278.444 2.292 20 0 CEADMP CC(=O)Nc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000165632670 367309965 /nfs/dbraw/zinc/30/99/65/367309965.db2.gz HOTXJWOAQUZCIE-GUYCJALGSA-N 2 1 289.423 2.117 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1([NH3+])CCCCC1 ZINC000166060055 367318144 /nfs/dbraw/zinc/31/81/44/367318144.db2.gz NSEMZFMQWPLXHX-QLFBSQMISA-N 2 1 295.471 2.131 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342134407 367386206 /nfs/dbraw/zinc/38/62/06/367386206.db2.gz PRJBJPNLHFYKGB-RRFJBIMHSA-N 2 1 296.418 2.497 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC[C@H]1CCCO1 ZINC000342603505 367446691 /nfs/dbraw/zinc/44/66/91/367446691.db2.gz MNQRQPRSTGNFNI-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC[C@H]1CCCO1 ZINC000342603505 367446697 /nfs/dbraw/zinc/44/66/97/367446697.db2.gz MNQRQPRSTGNFNI-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP Cc1cnc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1C ZINC000342811085 367549270 /nfs/dbraw/zinc/54/92/70/367549270.db2.gz ZRJCRMQLYBVDAB-UHFFFAOYSA-N 2 1 278.444 2.282 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000631829023 367567485 /nfs/dbraw/zinc/56/74/85/367567485.db2.gz DQZCGWKMEDRFPV-CWRNSKLLSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H](C(=O)NCCC[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000171237247 367499895 /nfs/dbraw/zinc/49/98/95/367499895.db2.gz WWXJODKFPWEEJV-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H](O)C(F)(F)F ZINC000631719995 367502224 /nfs/dbraw/zinc/50/22/24/367502224.db2.gz QGJZJPXFRZDIDT-GXSJLCMTSA-N 2 1 282.350 2.151 20 0 CEADMP Cc1cc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)n1 ZINC000631826159 367564380 /nfs/dbraw/zinc/56/43/80/367564380.db2.gz GLDUQJSVAKRGQI-IYBDPMFKSA-N 2 1 273.424 2.438 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631833415 367571430 /nfs/dbraw/zinc/57/14/30/367571430.db2.gz ACIKFCJTPKEYNQ-LBPRGKRZSA-N 2 1 253.415 2.197 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631833415 367571436 /nfs/dbraw/zinc/57/14/36/367571436.db2.gz ACIKFCJTPKEYNQ-LBPRGKRZSA-N 2 1 253.415 2.197 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1cccc2c1OC(F)(F)O2 ZINC000631829690 367567870 /nfs/dbraw/zinc/56/78/70/367567870.db2.gz XPKLUKGNQNTOEI-CMPLNLGQSA-N 2 1 298.333 2.362 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1cccc2c1OC(F)(F)O2 ZINC000631829690 367567874 /nfs/dbraw/zinc/56/78/74/367567874.db2.gz XPKLUKGNQNTOEI-CMPLNLGQSA-N 2 1 298.333 2.362 20 0 CEADMP CCC[NH+](CCC)CCCN[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000342847790 367568792 /nfs/dbraw/zinc/56/87/92/367568792.db2.gz HFAKUWKSHSLYFZ-HZPDHXFCSA-N 2 1 269.477 2.428 20 0 CEADMP CO[C@H](C[N@H+]1CCCCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000631835244 367572791 /nfs/dbraw/zinc/57/27/91/367572791.db2.gz PRQIDLUBNBENCZ-HUUCEWRRSA-N 2 1 254.418 2.395 20 0 CEADMP Cc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cn1 ZINC000335543071 212241760 /nfs/dbraw/zinc/24/17/60/212241760.db2.gz HPWGSAKOMWKCOT-AWEZNQCLSA-N 2 1 259.397 2.354 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000631834419 367573578 /nfs/dbraw/zinc/57/35/78/367573578.db2.gz WZYKLQOLEUXRKP-MRXNPFEDSA-N 2 1 295.471 2.276 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000631834419 367573589 /nfs/dbraw/zinc/57/35/89/367573589.db2.gz WZYKLQOLEUXRKP-MRXNPFEDSA-N 2 1 295.471 2.276 20 0 CEADMP CO[C@@H](C[N@H+]1CCCCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000631835242 367573801 /nfs/dbraw/zinc/57/38/01/367573801.db2.gz PRQIDLUBNBENCZ-CABCVRRESA-N 2 1 254.418 2.395 20 0 CEADMP Cc1cccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886004 367608426 /nfs/dbraw/zinc/60/84/26/367608426.db2.gz GJDYFEZVETZHEI-DOTOQJQBSA-N 2 1 274.408 2.448 20 0 CEADMP FC1(F)CC[C@H](C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889160 367610183 /nfs/dbraw/zinc/61/01/83/367610183.db2.gz CMZSRHWSNMFQIW-YNEHKIRRSA-N 2 1 258.356 2.496 20 0 CEADMP FC1(F)CC[C@H](C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889160 367610187 /nfs/dbraw/zinc/61/01/87/367610187.db2.gz CMZSRHWSNMFQIW-YNEHKIRRSA-N 2 1 258.356 2.496 20 0 CEADMP CC(C)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000172243464 367702656 /nfs/dbraw/zinc/70/26/56/367702656.db2.gz KUWFJWCPJIOWCS-UHFFFAOYSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)[C@H](CN[C@H]1C[N@@H+](CC)C[C@H]1C)[NH+](C)C ZINC000343275182 367739213 /nfs/dbraw/zinc/73/92/13/367739213.db2.gz SRDNWQUFBPCRCH-KBMXLJTQSA-N 2 1 269.477 2.283 20 0 CEADMP Cc1nnc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)o1 ZINC000245745478 370868907 /nfs/dbraw/zinc/86/89/07/370868907.db2.gz XYJJGXVMQYLCAM-GVXVVHGQSA-N 2 1 275.356 2.219 20 0 CEADMP Cc1nnc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)o1 ZINC000245745478 370868910 /nfs/dbraw/zinc/86/89/10/370868910.db2.gz XYJJGXVMQYLCAM-GVXVVHGQSA-N 2 1 275.356 2.219 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC[N@H+]1C ZINC000632432255 367795495 /nfs/dbraw/zinc/79/54/95/367795495.db2.gz ISDJPBOMQUDPFP-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP COC[C@H](CC(C)C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000358078091 370895006 /nfs/dbraw/zinc/89/50/06/370895006.db2.gz DIJIOZPYTWCRBS-ZFWWWQNUSA-N 2 1 267.417 2.478 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCc2cccc(C)c2)CC1 ZINC000358077580 370895125 /nfs/dbraw/zinc/89/51/25/370895125.db2.gz ARKQBESLLXUHJK-UHFFFAOYSA-N 2 1 276.424 2.238 20 0 CEADMP CC[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+](CC)CC ZINC000344213099 368115343 /nfs/dbraw/zinc/11/53/43/368115343.db2.gz DKSRCMYMNRUUEJ-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CC[C@H](C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)[NH+](CC)CC ZINC000344543141 368127804 /nfs/dbraw/zinc/12/78/04/368127804.db2.gz UGIZTZJBRVCNGI-BZUAXINKSA-N 2 1 297.487 2.343 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000343969108 368096724 /nfs/dbraw/zinc/09/67/24/368096724.db2.gz BPOACQDEDLRSFX-CABCVRRESA-N 2 1 266.433 2.372 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000343969108 368096729 /nfs/dbraw/zinc/09/67/29/368096729.db2.gz BPOACQDEDLRSFX-CABCVRRESA-N 2 1 266.433 2.372 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1C[NH+](CC)C[C@@H]1C ZINC000343988902 368099882 /nfs/dbraw/zinc/09/98/82/368099882.db2.gz OWLNIEGMHLHXAB-SOUVJXGZSA-N 2 1 255.450 2.037 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000343988902 368099885 /nfs/dbraw/zinc/09/98/85/368099885.db2.gz OWLNIEGMHLHXAB-SOUVJXGZSA-N 2 1 255.450 2.037 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000343988902 368099888 /nfs/dbraw/zinc/09/98/88/368099888.db2.gz OWLNIEGMHLHXAB-SOUVJXGZSA-N 2 1 255.450 2.037 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000345163798 368177732 /nfs/dbraw/zinc/17/77/32/368177732.db2.gz KTWFYOVOXYTESU-UHFFFAOYSA-N 2 1 282.391 2.428 20 0 CEADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+](C)C)cc1OC ZINC000633374331 368219080 /nfs/dbraw/zinc/21/90/80/368219080.db2.gz PYRZEGOVJSKZBN-UHFFFAOYSA-N 2 1 293.411 2.037 20 0 CEADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@H](c2ccccc2)CO1 ZINC000178975212 368318741 /nfs/dbraw/zinc/31/87/41/368318741.db2.gz OHKLOKCPGLHUDA-YOEHRIQHSA-N 2 1 274.408 2.448 20 0 CEADMP C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177954357 368285074 /nfs/dbraw/zinc/28/50/74/368285074.db2.gz BCPMPCHKZVDFAF-CYBMUJFWSA-N 2 1 288.395 2.201 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC000345525464 368311753 /nfs/dbraw/zinc/31/17/53/368311753.db2.gz HTHZQTVEKUTTDZ-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000345525464 368311756 /nfs/dbraw/zinc/31/17/56/368311756.db2.gz HTHZQTVEKUTTDZ-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000345525464 368311760 /nfs/dbraw/zinc/31/17/60/368311760.db2.gz HTHZQTVEKUTTDZ-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(C(C)(C)C)n1 ZINC000180230934 368372577 /nfs/dbraw/zinc/37/25/77/368372577.db2.gz XLSJHUMVCPTMBM-CYBMUJFWSA-N 2 1 278.444 2.101 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(C(C)(C)C)n1 ZINC000180230934 368372586 /nfs/dbraw/zinc/37/25/86/368372586.db2.gz XLSJHUMVCPTMBM-CYBMUJFWSA-N 2 1 278.444 2.101 20 0 CEADMP CCC1(CC)[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C[C@@H]1OC ZINC000181561331 368470341 /nfs/dbraw/zinc/47/03/41/368470341.db2.gz MBIZDUJNMQKQTF-CVEARBPZSA-N 2 1 298.471 2.017 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC[N@@H+]1C ZINC000181813918 368496490 /nfs/dbraw/zinc/49/64/90/368496490.db2.gz GWECLKRUULOXGW-QMIVOQANSA-N 2 1 264.413 2.016 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC[N@H+]1C ZINC000181813918 368496494 /nfs/dbraw/zinc/49/64/94/368496494.db2.gz GWECLKRUULOXGW-QMIVOQANSA-N 2 1 264.413 2.016 20 0 CEADMP c1cn(CCC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cn1 ZINC000183105462 368610064 /nfs/dbraw/zinc/61/00/64/368610064.db2.gz XJBMPDDHYGZBMK-CABCVRRESA-N 2 1 295.452 2.260 20 0 CEADMP [NH3+]Cc1noc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)n1 ZINC000634557966 368716478 /nfs/dbraw/zinc/71/64/78/368716478.db2.gz LXNDGEJVFUBENR-LSDHHAIUSA-N 2 1 298.390 2.154 20 0 CEADMP [NH3+]Cc1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)n1 ZINC000634557966 368716481 /nfs/dbraw/zinc/71/64/81/368716481.db2.gz LXNDGEJVFUBENR-LSDHHAIUSA-N 2 1 298.390 2.154 20 0 CEADMP CO[C@@H](C)CC[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000346432517 368673138 /nfs/dbraw/zinc/67/31/38/368673138.db2.gz PNTXOKWCGPGKGR-LBPRGKRZSA-N 2 1 297.468 2.424 20 0 CEADMP CO[C@@H](C)CC[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000346432517 368673141 /nfs/dbraw/zinc/67/31/41/368673141.db2.gz PNTXOKWCGPGKGR-LBPRGKRZSA-N 2 1 297.468 2.424 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC(F)F)C[C@H]1C ZINC000346448497 368679206 /nfs/dbraw/zinc/67/92/06/368679206.db2.gz SWLCOHPMQUEZAL-VXGBXAGGSA-N 2 1 264.360 2.073 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC(F)F)C[C@H]1C ZINC000346448497 368679209 /nfs/dbraw/zinc/67/92/09/368679209.db2.gz SWLCOHPMQUEZAL-VXGBXAGGSA-N 2 1 264.360 2.073 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC(F)F)C[C@H]1C ZINC000346448497 368679212 /nfs/dbraw/zinc/67/92/12/368679212.db2.gz SWLCOHPMQUEZAL-VXGBXAGGSA-N 2 1 264.360 2.073 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc3ccccc3s2)C1 ZINC000358158700 370929207 /nfs/dbraw/zinc/92/92/07/370929207.db2.gz BDABLOAABDQULN-HNNXBMFYSA-N 2 1 276.405 2.058 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc3ccccc3s2)C1 ZINC000358158700 370929209 /nfs/dbraw/zinc/92/92/09/370929209.db2.gz BDABLOAABDQULN-HNNXBMFYSA-N 2 1 276.405 2.058 20 0 CEADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1OC ZINC000346693332 368776576 /nfs/dbraw/zinc/77/65/76/368776576.db2.gz MKMSVZQEHHYHDU-OCCSQVGLSA-N 2 1 278.396 2.263 20 0 CEADMP CCCC1CCC(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358178743 370938517 /nfs/dbraw/zinc/93/85/17/370938517.db2.gz ZEEFUQWGWQBRGH-GPANFISMSA-N 2 1 268.445 2.249 20 0 CEADMP CCCC1CCC(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358178743 370938520 /nfs/dbraw/zinc/93/85/20/370938520.db2.gz ZEEFUQWGWQBRGH-GPANFISMSA-N 2 1 268.445 2.249 20 0 CEADMP Cc1ccn2c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cnc2c1 ZINC000346675772 368764700 /nfs/dbraw/zinc/76/47/00/368764700.db2.gz JIQHGKGAHKDIBF-OAHLLOKOSA-N 2 1 274.412 2.448 20 0 CEADMP Cc1ccn2c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cnc2c1 ZINC000346675772 368764703 /nfs/dbraw/zinc/76/47/03/368764703.db2.gz JIQHGKGAHKDIBF-OAHLLOKOSA-N 2 1 274.412 2.448 20 0 CEADMP Cn1cncc1CNC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000185221468 368769854 /nfs/dbraw/zinc/76/98/54/368769854.db2.gz WONVDJYNAYZPRP-GOSISDBHSA-N 2 1 298.434 2.420 20 0 CEADMP Cn1cncc1CNC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000185221468 368769860 /nfs/dbraw/zinc/76/98/60/368769860.db2.gz WONVDJYNAYZPRP-GOSISDBHSA-N 2 1 298.434 2.420 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000346687069 368769728 /nfs/dbraw/zinc/76/97/28/368769728.db2.gz VANFDOFKLOHAAA-GXTWGEPZSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000346687069 368769736 /nfs/dbraw/zinc/76/97/36/368769736.db2.gz VANFDOFKLOHAAA-GXTWGEPZSA-N 2 1 270.380 2.246 20 0 CEADMP COCCCOc1cccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000346692308 368774724 /nfs/dbraw/zinc/77/47/24/368774724.db2.gz YBWQGXAJOKOEAX-ZBFHGGJFSA-N 2 1 292.423 2.271 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346658279 368756402 /nfs/dbraw/zinc/75/64/02/368756402.db2.gz UGNXGDFUTLUINJ-HSRYQADGSA-N 2 1 260.381 2.378 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000346659648 368757206 /nfs/dbraw/zinc/75/72/06/368757206.db2.gz VHKXEGQXRPCKRT-ZFWWWQNUSA-N 2 1 284.407 2.256 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634678859 368809513 /nfs/dbraw/zinc/80/95/13/368809513.db2.gz FJLKXQFOAKUHPL-JSGCOSHPSA-N 2 1 265.401 2.375 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634732257 368844162 /nfs/dbraw/zinc/84/41/62/368844162.db2.gz BRFYGLCSHRLIJR-OAHLLOKOSA-N 3 1 267.461 2.227 20 0 CEADMP CC1(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634712180 368835078 /nfs/dbraw/zinc/83/50/78/368835078.db2.gz AENLQCUEFJKGCZ-SFHVURJKSA-N 2 1 288.435 2.403 20 0 CEADMP CC1(CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634712180 368835082 /nfs/dbraw/zinc/83/50/82/368835082.db2.gz AENLQCUEFJKGCZ-SFHVURJKSA-N 2 1 288.435 2.403 20 0 CEADMP CN(C)c1nc(N2CCC(CCC[NH+](C)C)CC2)cc[nH+]1 ZINC000346698260 368779222 /nfs/dbraw/zinc/77/92/22/368779222.db2.gz KMGQPGOJJJUWEA-UHFFFAOYSA-N 2 1 291.443 2.101 20 0 CEADMP c1ccc(CC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H]2CCOC2)cc1 ZINC000346985420 368794432 /nfs/dbraw/zinc/79/44/32/368794432.db2.gz PJENURUFGAJHLK-ROUUACIJSA-N 2 1 288.435 2.320 20 0 CEADMP C([C@H]1CCCO1)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000346992365 368795375 /nfs/dbraw/zinc/79/53/75/368795375.db2.gz AWBWSHHYCLICFL-GOEBONIOSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634756948 368865241 /nfs/dbraw/zinc/86/52/41/368865241.db2.gz IATAURJGDDTJQY-ZDUSSCGKSA-N 2 1 287.354 2.328 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634756948 368865244 /nfs/dbraw/zinc/86/52/44/368865244.db2.gz IATAURJGDDTJQY-ZDUSSCGKSA-N 2 1 287.354 2.328 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000348212616 368951536 /nfs/dbraw/zinc/95/15/36/368951536.db2.gz SVZRMAMAEGNCIL-CVEARBPZSA-N 2 1 268.445 2.392 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOC(C)C)[C@H](C)C1 ZINC000186638633 369012036 /nfs/dbraw/zinc/01/20/36/369012036.db2.gz BRMXTYKKNYNGOI-HZPDHXFCSA-N 2 1 286.460 2.138 20 0 CEADMP CCN(C)C(=O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000186808547 369047978 /nfs/dbraw/zinc/04/79/78/369047978.db2.gz NDPKDDYWOMNGPO-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)C[C@H]1C[NH3+] ZINC000634999255 369033601 /nfs/dbraw/zinc/03/36/01/369033601.db2.gz RQPYQCZKHKDVIZ-MGPQQGTHSA-N 2 1 260.381 2.079 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1nccn1C ZINC000635003957 369040104 /nfs/dbraw/zinc/04/01/04/369040104.db2.gz CCUAEJTYOWJSRA-DZGCQCFKSA-N 2 1 272.396 2.031 20 0 CEADMP [NH3+][C@H](CC[NH2+]C1CCN(C2CC2)CC1)Cc1ccccc1 ZINC000635007049 369042999 /nfs/dbraw/zinc/04/29/99/369042999.db2.gz OCKJZCAJWMRPHP-MRXNPFEDSA-N 2 1 287.451 2.163 20 0 CEADMP CC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1nccn1C ZINC000635011594 369049875 /nfs/dbraw/zinc/04/98/75/369049875.db2.gz RBSBMJHQRHASPB-INIZCTEOSA-N 2 1 284.407 2.307 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000348712200 369128590 /nfs/dbraw/zinc/12/85/90/369128590.db2.gz ULEOGAIWBKQLTI-MRXNPFEDSA-N 2 1 286.379 2.187 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000348755098 369143047 /nfs/dbraw/zinc/14/30/47/369143047.db2.gz FWCCPMASUUSDBD-TZMCWYRMSA-N 2 1 250.361 2.427 20 0 CEADMP Cc1cccc(C(C)(C)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000572751486 299396921 /nfs/dbraw/zinc/39/69/21/299396921.db2.gz JHYSYUYJCGXUQQ-QGZVFWFLSA-N 2 1 290.451 2.317 20 0 CEADMP Cc1cccc(C(C)(C)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000572751486 299396923 /nfs/dbraw/zinc/39/69/23/299396923.db2.gz JHYSYUYJCGXUQQ-QGZVFWFLSA-N 2 1 290.451 2.317 20 0 CEADMP CC[NH+](CC)CCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC000635555481 369216932 /nfs/dbraw/zinc/21/69/32/369216932.db2.gz CWEHSLXDFSEGLL-UHFFFAOYSA-N 2 1 294.443 2.245 20 0 CEADMP C[C@@H](Cc1ccccc1F)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000187821585 369230974 /nfs/dbraw/zinc/23/09/74/369230974.db2.gz LNFJKSHYCJOWCB-AWEZNQCLSA-N 2 1 294.414 2.193 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000683140881 541767069 /nfs/dbraw/zinc/76/70/69/541767069.db2.gz HEZWKALOPUFWLV-OAHLLOKOSA-N 2 1 264.417 2.252 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000683140881 541767071 /nfs/dbraw/zinc/76/70/71/541767071.db2.gz HEZWKALOPUFWLV-OAHLLOKOSA-N 2 1 264.417 2.252 20 0 CEADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000349401557 369319050 /nfs/dbraw/zinc/31/90/50/369319050.db2.gz DVYJNUQXGUPCQM-AEFFLSMTSA-N 2 1 288.435 2.337 20 0 CEADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000349401557 369319053 /nfs/dbraw/zinc/31/90/53/369319053.db2.gz DVYJNUQXGUPCQM-AEFFLSMTSA-N 2 1 288.435 2.337 20 0 CEADMP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635841866 369371668 /nfs/dbraw/zinc/37/16/68/369371668.db2.gz BXPYBQAZEZFWGU-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2CCC[C@H]2CCO2)CC1 ZINC000639080814 370954834 /nfs/dbraw/zinc/95/48/34/370954834.db2.gz DEXXNMRDDIAULH-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358247720 370969652 /nfs/dbraw/zinc/96/96/52/370969652.db2.gz FMFGASZACLSQPC-KMFMINBZSA-N 2 1 274.408 2.200 20 0 CEADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358247720 370969659 /nfs/dbraw/zinc/96/96/59/370969659.db2.gz FMFGASZACLSQPC-KMFMINBZSA-N 2 1 274.408 2.200 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000358253465 370974959 /nfs/dbraw/zinc/97/49/59/370974959.db2.gz PGYYPWLWXPACQJ-IOASZLSFSA-N 2 1 288.439 2.215 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000246439575 370962373 /nfs/dbraw/zinc/96/23/73/370962373.db2.gz DJDWFWKWTCETBT-LRDDRELGSA-N 2 1 278.444 2.199 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000246439575 370962379 /nfs/dbraw/zinc/96/23/79/370962379.db2.gz DJDWFWKWTCETBT-LRDDRELGSA-N 2 1 278.444 2.199 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000246439575 370962386 /nfs/dbraw/zinc/96/23/86/370962386.db2.gz DJDWFWKWTCETBT-LRDDRELGSA-N 2 1 278.444 2.199 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000246439575 370962389 /nfs/dbraw/zinc/96/23/89/370962389.db2.gz DJDWFWKWTCETBT-LRDDRELGSA-N 2 1 278.444 2.199 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000246439575 370962398 /nfs/dbraw/zinc/96/23/98/370962398.db2.gz DJDWFWKWTCETBT-LRDDRELGSA-N 2 1 278.444 2.199 20 0 CEADMP COCC[N@@H+](C)CCCNc1cc(C(F)(F)F)ccn1 ZINC000189429647 369516341 /nfs/dbraw/zinc/51/63/41/369516341.db2.gz TYNKEWCQTIQMOA-UHFFFAOYSA-N 2 1 291.317 2.481 20 0 CEADMP CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cccc2nccn21 ZINC000189573390 369540576 /nfs/dbraw/zinc/54/05/76/369540576.db2.gz UBAAWNPGAUICDH-ZDUSSCGKSA-N 2 1 259.353 2.070 20 0 CEADMP Cn1nccc1[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351635690 369645408 /nfs/dbraw/zinc/64/54/08/369645408.db2.gz XXBIWNRUDAGJSI-JKSUJKDBSA-N 2 1 290.455 2.474 20 0 CEADMP CCCn1ccnc1CCC[N@@H+](C)CC(=O)N[C@@H](C)CC ZINC000191520662 369719651 /nfs/dbraw/zinc/71/96/51/369719651.db2.gz ASPUYECOAHFJPO-AWEZNQCLSA-N 2 1 294.443 2.072 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@@H](C)CC ZINC000191520662 369719661 /nfs/dbraw/zinc/71/96/61/369719661.db2.gz ASPUYECOAHFJPO-AWEZNQCLSA-N 2 1 294.443 2.072 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccco2)CC1 ZINC000191390531 369707928 /nfs/dbraw/zinc/70/79/28/369707928.db2.gz WZSAPRMEBSDCOZ-UHFFFAOYSA-N 2 1 279.428 2.128 20 0 CEADMP Cc1cccc(C[C@@H](CO)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000191613167 369725840 /nfs/dbraw/zinc/72/58/40/369725840.db2.gz LYIRCMDZVJDXDJ-OKZBNKHCSA-N 2 1 288.435 2.115 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2CCO[C@@H](C)C2)C1 ZINC000352607974 369805081 /nfs/dbraw/zinc/80/50/81/369805081.db2.gz CEYZFZAKQYAILP-YESZJQIVSA-N 2 1 298.471 2.234 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](C)CC1)C2 ZINC000192438137 369812353 /nfs/dbraw/zinc/81/23/53/369812353.db2.gz HIBPAHSDQSASOU-HNNXBMFYSA-N 2 1 274.408 2.236 20 0 CEADMP Cc1cnn(C)c1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000352758700 369869547 /nfs/dbraw/zinc/86/95/47/369869547.db2.gz HUMCKZBJKISART-CQSZACIVSA-N 2 1 266.433 2.185 20 0 CEADMP OCCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000192924791 369871996 /nfs/dbraw/zinc/87/19/96/369871996.db2.gz BGERLNLPTDPALM-UHFFFAOYSA-N 2 1 290.451 2.446 20 0 CEADMP CCCC[N@H+](C)CCNCc1ncc(C[NH+](C)C)s1 ZINC000352764071 369872179 /nfs/dbraw/zinc/87/21/79/369872179.db2.gz ANZRZMKTNVVGQP-UHFFFAOYSA-N 2 1 284.473 2.026 20 0 CEADMP CCCC[N@@H+](C)CCNCc1ncc(C[NH+](C)C)s1 ZINC000352764071 369872185 /nfs/dbraw/zinc/87/21/85/369872185.db2.gz ANZRZMKTNVVGQP-UHFFFAOYSA-N 2 1 284.473 2.026 20 0 CEADMP CC(C)[C@@H](C[NH2+]CC1(C)COC1)[NH+]1CCC(C)CC1 ZINC000352780136 369875044 /nfs/dbraw/zinc/87/50/44/369875044.db2.gz NRWZEQXWQWCDBZ-OAHLLOKOSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccnn1C ZINC000193281259 369917214 /nfs/dbraw/zinc/91/72/14/369917214.db2.gz JOOOMIPYPDXFMD-UONOGXRCSA-N 2 1 264.417 2.335 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)NCc1ncc(C[NH+](C)C)s1 ZINC000353074880 370008900 /nfs/dbraw/zinc/00/89/00/370008900.db2.gz WMGYCLSMRBMLJS-LBPRGKRZSA-N 2 1 284.473 2.023 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NCc1ncc(C[NH+](C)C)s1 ZINC000353074880 370008904 /nfs/dbraw/zinc/00/89/04/370008904.db2.gz WMGYCLSMRBMLJS-LBPRGKRZSA-N 2 1 284.473 2.023 20 0 CEADMP C[N@@H+](CC1CCSCC1)C[C@H]1CCC[NH+](C)C1 ZINC000637929836 370179022 /nfs/dbraw/zinc/17/90/22/370179022.db2.gz GXGUSOUVZPPFBH-AWEZNQCLSA-N 2 1 256.459 2.403 20 0 CEADMP C[NH+](CC1CCSCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000637929836 370179023 /nfs/dbraw/zinc/17/90/23/370179023.db2.gz GXGUSOUVZPPFBH-AWEZNQCLSA-N 2 1 256.459 2.403 20 0 CEADMP C[NH+](CC1CCSCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000637929836 370179027 /nfs/dbraw/zinc/17/90/27/370179027.db2.gz GXGUSOUVZPPFBH-AWEZNQCLSA-N 2 1 256.459 2.403 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000353595326 370117980 /nfs/dbraw/zinc/11/79/80/370117980.db2.gz JLJIZRARCCCXLD-MAUKXSAKSA-N 2 1 298.434 2.361 20 0 CEADMP CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1CCCO1 ZINC000211934464 370164227 /nfs/dbraw/zinc/16/42/27/370164227.db2.gz HRAVDHJLMUDMPP-KRWDZBQOSA-N 2 1 274.408 2.333 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000354134398 370229516 /nfs/dbraw/zinc/22/95/16/370229516.db2.gz SIMLUAWKIPMQDS-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000354134398 370229519 /nfs/dbraw/zinc/22/95/19/370229519.db2.gz SIMLUAWKIPMQDS-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000223555659 370266854 /nfs/dbraw/zinc/26/68/54/370266854.db2.gz GZHDITFZEPZVLA-LLVKDONJSA-N 2 1 252.333 2.092 20 0 CEADMP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000638070545 370280176 /nfs/dbraw/zinc/28/01/76/370280176.db2.gz ZDANIFMGDGCXMM-CHWSQXEVSA-N 2 1 293.411 2.039 20 0 CEADMP CO[C@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)C1CCCCC1 ZINC000638088715 370290672 /nfs/dbraw/zinc/29/06/72/370290672.db2.gz GQEYTUOCDIMYHT-ARFHVFGLSA-N 2 1 266.429 2.266 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)C1CCCCC1 ZINC000638088715 370290675 /nfs/dbraw/zinc/29/06/75/370290675.db2.gz GQEYTUOCDIMYHT-ARFHVFGLSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638112101 370309594 /nfs/dbraw/zinc/30/95/94/370309594.db2.gz QCFOQMQGQPNHKH-AWEZNQCLSA-N 2 1 295.471 2.003 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000354351585 370327147 /nfs/dbraw/zinc/32/71/47/370327147.db2.gz LSEHDELNWSVXTH-OKILXGFUSA-N 2 1 284.444 2.428 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000354351585 370327151 /nfs/dbraw/zinc/32/71/51/370327151.db2.gz LSEHDELNWSVXTH-OKILXGFUSA-N 2 1 284.444 2.428 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000638291521 370427663 /nfs/dbraw/zinc/42/76/63/370427663.db2.gz QMKGPSUXPHVSJX-CABCVRRESA-N 2 1 295.471 2.288 20 0 CEADMP CO[C@@H](C[NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000638302615 370433846 /nfs/dbraw/zinc/43/38/46/370433846.db2.gz JHCRFHSDAFJOAR-WBVHZDCISA-N 2 1 298.471 2.282 20 0 CEADMP CC(C)c1[nH+]ccn1CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000638257980 370405363 /nfs/dbraw/zinc/40/53/63/370405363.db2.gz DZPCJJQHJJDQPS-UHFFFAOYSA-N 2 1 284.363 2.248 20 0 CEADMP CC[C@@H](C[NH2+][C@H](C)Cc1ccnc(OC)c1)[NH+]1CCCC1 ZINC000638354842 370464815 /nfs/dbraw/zinc/46/48/15/370464815.db2.gz VTWDLRREUXLVJT-ZBFHGGJFSA-N 2 1 291.439 2.485 20 0 CEADMP CO[C@H](C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCOC1 ZINC000638366091 370475335 /nfs/dbraw/zinc/47/53/35/370475335.db2.gz KVIJAOXEGXHXNS-IXDOHACOSA-N 2 1 298.471 2.140 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000355101922 370501007 /nfs/dbraw/zinc/50/10/07/370501007.db2.gz IIVGYODKFIHVOP-BZUAXINKSA-N 2 1 295.471 2.132 20 0 CEADMP C[N@H+](Cc1cc(O)cc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231460310 370481135 /nfs/dbraw/zinc/48/11/35/370481135.db2.gz JCTDWORMDUVNPW-CYBMUJFWSA-N 2 1 252.333 2.105 20 0 CEADMP C[N@@H+](Cc1cc(O)cc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231460310 370481142 /nfs/dbraw/zinc/48/11/42/370481142.db2.gz JCTDWORMDUVNPW-CYBMUJFWSA-N 2 1 252.333 2.105 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2N)C1 ZINC000638450230 370538018 /nfs/dbraw/zinc/53/80/18/370538018.db2.gz CEGMNNYYYORNAP-LBPRGKRZSA-N 2 1 265.376 2.229 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2N)C1 ZINC000638450230 370538021 /nfs/dbraw/zinc/53/80/21/370538021.db2.gz CEGMNNYYYORNAP-LBPRGKRZSA-N 2 1 265.376 2.229 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1F ZINC000234933240 370550941 /nfs/dbraw/zinc/55/09/41/370550941.db2.gz IUSRJWCUEDGOGG-CQSZACIVSA-N 2 1 252.333 2.005 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1F ZINC000234933240 370550944 /nfs/dbraw/zinc/55/09/44/370550944.db2.gz IUSRJWCUEDGOGG-CQSZACIVSA-N 2 1 252.333 2.005 20 0 CEADMP C[C@H]1C[C@@H](C(=O)NCCC[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000235689165 370574804 /nfs/dbraw/zinc/57/48/04/370574804.db2.gz NGAVJRBDKQINFN-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000236825861 370635324 /nfs/dbraw/zinc/63/53/24/370635324.db2.gz MNLMOFVUCLLPKH-JKSUJKDBSA-N 2 1 289.423 2.067 20 0 CEADMP CO[C@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCC1 ZINC000639118550 370994364 /nfs/dbraw/zinc/99/43/64/370994364.db2.gz KFENRZMKGZWDCE-DOTOQJQBSA-N 2 1 298.471 2.282 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)OC ZINC000639122916 371000334 /nfs/dbraw/zinc/00/03/34/371000334.db2.gz UOQATPUUAIILLB-XHSDSOJGSA-N 2 1 286.460 2.138 20 0 CEADMP Cc1cccc(NCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000358391382 371046677 /nfs/dbraw/zinc/04/66/77/371046677.db2.gz YEKKDQWVJIGKMS-LSDHHAIUSA-N 2 1 274.412 2.018 20 0 CEADMP CCCOc1ncccc1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247036011 371052929 /nfs/dbraw/zinc/05/29/29/371052929.db2.gz MKLJFASSWGKFCY-ZFWWWQNUSA-N 2 1 277.412 2.443 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccnc1 ZINC000358301668 371002317 /nfs/dbraw/zinc/00/23/17/371002317.db2.gz OVUDCVSASLXNES-RRQGHBQHSA-N 2 1 289.423 2.110 20 0 CEADMP CO[C@@](C)(C[N@H+](C)CCCn1cc[nH+]c1C)C1CC1 ZINC000639175738 371050630 /nfs/dbraw/zinc/05/06/30/371050630.db2.gz RXSURRHUSMNYJL-HNNXBMFYSA-N 2 1 265.401 2.329 20 0 CEADMP CO[C@@](C)(C[N@@H+](C)CCCn1cc[nH+]c1C)C1CC1 ZINC000639175738 371050633 /nfs/dbraw/zinc/05/06/33/371050633.db2.gz RXSURRHUSMNYJL-HNNXBMFYSA-N 2 1 265.401 2.329 20 0 CEADMP CO[C@](C)(C[N@H+](C)CCCn1cc[nH+]c1C)C1CC1 ZINC000639175740 371050807 /nfs/dbraw/zinc/05/08/07/371050807.db2.gz RXSURRHUSMNYJL-OAHLLOKOSA-N 2 1 265.401 2.329 20 0 CEADMP CO[C@](C)(C[N@@H+](C)CCCn1cc[nH+]c1C)C1CC1 ZINC000639175740 371050812 /nfs/dbraw/zinc/05/08/12/371050812.db2.gz RXSURRHUSMNYJL-OAHLLOKOSA-N 2 1 265.401 2.329 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000358329039 371016004 /nfs/dbraw/zinc/01/60/04/371016004.db2.gz MYGXZNZRBUMVME-GVDBMIGSSA-N 2 1 281.488 2.284 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000358329039 371016008 /nfs/dbraw/zinc/01/60/08/371016008.db2.gz MYGXZNZRBUMVME-GVDBMIGSSA-N 2 1 281.488 2.284 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000358329039 371016011 /nfs/dbraw/zinc/01/60/11/371016011.db2.gz MYGXZNZRBUMVME-GVDBMIGSSA-N 2 1 281.488 2.284 20 0 CEADMP CC1=CC[N@@H+](CCNc2ccnc3ccncc32)CC1 ZINC000358340012 371022118 /nfs/dbraw/zinc/02/21/18/371022118.db2.gz FTPUAXSLXOWZFJ-UHFFFAOYSA-N 2 1 268.364 2.116 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)OC ZINC000639170319 371042207 /nfs/dbraw/zinc/04/22/07/371042207.db2.gz SVDHYBJDZHICES-KKUMJFAQSA-N 2 1 256.434 2.367 20 0 CEADMP CO[C@H](C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)CC(C)C ZINC000639170796 371042439 /nfs/dbraw/zinc/04/24/39/371042439.db2.gz YSZMENGAHQNFKE-GJZGRUSLSA-N 2 1 256.434 2.367 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21)OC ZINC000639178135 371058361 /nfs/dbraw/zinc/05/83/61/371058361.db2.gz IPYUOTZERPLUSB-JONQDZQNSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21)OC ZINC000639178135 371058367 /nfs/dbraw/zinc/05/83/67/371058367.db2.gz IPYUOTZERPLUSB-JONQDZQNSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21)OC ZINC000639178135 371058372 /nfs/dbraw/zinc/05/83/72/371058372.db2.gz IPYUOTZERPLUSB-JONQDZQNSA-N 2 1 268.445 2.464 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639189794 371070573 /nfs/dbraw/zinc/07/05/73/371070573.db2.gz QZAZMPPUYLKSMC-RBSFLKMASA-N 2 1 283.460 2.144 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639189794 371070576 /nfs/dbraw/zinc/07/05/76/371070576.db2.gz QZAZMPPUYLKSMC-RBSFLKMASA-N 2 1 283.460 2.144 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCOC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358482277 371084602 /nfs/dbraw/zinc/08/46/02/371084602.db2.gz ISZXQWSQBRZHEY-RRFJBIMHSA-N 2 1 266.429 2.266 20 0 CEADMP CO[C@@H](C)c1nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000358502992 371095299 /nfs/dbraw/zinc/09/52/99/371095299.db2.gz DFAHJYBHAZVIES-LBPRGKRZSA-N 2 1 295.452 2.426 20 0 CEADMP CO[C@@H](C)c1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000358502992 371095305 /nfs/dbraw/zinc/09/53/05/371095305.db2.gz DFAHJYBHAZVIES-LBPRGKRZSA-N 2 1 295.452 2.426 20 0 CEADMP C[N@@H+](CCCC[NH2+]C1CC(n2cccn2)C1)C1CC1 ZINC000639247065 371144094 /nfs/dbraw/zinc/14/40/94/371144094.db2.gz PGEVRFDEILPRLI-UHFFFAOYSA-N 2 1 262.401 2.051 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000247503074 371117540 /nfs/dbraw/zinc/11/75/40/371117540.db2.gz ODXVZQJXDCLHIW-XUWVNRHRSA-N 2 1 295.471 2.238 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247503074 371117542 /nfs/dbraw/zinc/11/75/42/371117542.db2.gz ODXVZQJXDCLHIW-XUWVNRHRSA-N 2 1 295.471 2.238 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247503074 371117544 /nfs/dbraw/zinc/11/75/44/371117544.db2.gz ODXVZQJXDCLHIW-XUWVNRHRSA-N 2 1 295.471 2.238 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCOC2)[C@@H](C)C1 ZINC000247969896 371150711 /nfs/dbraw/zinc/15/07/11/371150711.db2.gz HFJBHWWHBZIVNU-HZMVEIRTSA-N 2 1 298.471 2.138 20 0 CEADMP Cc1ccc([C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000248031019 371155813 /nfs/dbraw/zinc/15/58/13/371155813.db2.gz QJEYPZSJMKBPAO-FGTMMUONSA-N 2 1 288.435 2.445 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000248031019 371155814 /nfs/dbraw/zinc/15/58/14/371155814.db2.gz QJEYPZSJMKBPAO-FGTMMUONSA-N 2 1 288.435 2.445 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000248031019 371155818 /nfs/dbraw/zinc/15/58/18/371155818.db2.gz QJEYPZSJMKBPAO-FGTMMUONSA-N 2 1 288.435 2.445 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH2+][C@H](C)C1 ZINC000358687474 371174481 /nfs/dbraw/zinc/17/44/81/371174481.db2.gz ICLKLRFRFCNTEM-OWCLPIDISA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H]1C[C@H](C(=O)N(C)CC[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000358694299 371178712 /nfs/dbraw/zinc/17/87/12/371178712.db2.gz RHHCZYNVIFIPCI-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]CC2CCSCC2)C1 ZINC000639346596 371259396 /nfs/dbraw/zinc/25/93/96/371259396.db2.gz HKCRLVGTCJCMBM-CQSZACIVSA-N 2 1 256.459 2.451 20 0 CEADMP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c3ccccc32)[C@@H](C)C1 ZINC000248676902 371234006 /nfs/dbraw/zinc/23/40/06/371234006.db2.gz ZLSOWRZVIDBMPZ-KBPBESRZSA-N 2 1 285.391 2.126 20 0 CEADMP C[C@H]([NH3+])CCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000248880177 371261527 /nfs/dbraw/zinc/26/15/27/371261527.db2.gz SBJSVHQRSPYASV-ARFHVFGLSA-N 2 1 295.471 2.227 20 0 CEADMP C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)O[C@H]1CCCCO1 ZINC000248855030 371256981 /nfs/dbraw/zinc/25/69/81/371256981.db2.gz YKTMWTIVQBRJDD-IRXDYDNUSA-N 2 1 296.455 2.337 20 0 CEADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)O[C@H]1CCCCO1 ZINC000248855030 371256983 /nfs/dbraw/zinc/25/69/83/371256983.db2.gz YKTMWTIVQBRJDD-IRXDYDNUSA-N 2 1 296.455 2.337 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)C2CCCCC2)CC[N@@H+]1C ZINC000249031433 371283508 /nfs/dbraw/zinc/28/35/08/371283508.db2.gz FGVAFCYKACXKGU-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)C2CCCCC2)CC[N@H+]1C ZINC000249031433 371283514 /nfs/dbraw/zinc/28/35/14/371283514.db2.gz FGVAFCYKACXKGU-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)C2CCCCC2)CC[NH+]1C ZINC000249031433 371283516 /nfs/dbraw/zinc/28/35/16/371283516.db2.gz FGVAFCYKACXKGU-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)C2CCCCC2)CC[NH+]1C ZINC000249031433 371283520 /nfs/dbraw/zinc/28/35/20/371283520.db2.gz FGVAFCYKACXKGU-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C)O2)[C@@H](C)C1 ZINC000249029448 371283940 /nfs/dbraw/zinc/28/39/40/371283940.db2.gz FCRDIEREUDLCPQ-YVSFHVDLSA-N 2 1 298.471 2.281 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000358918534 371265712 /nfs/dbraw/zinc/26/57/12/371265712.db2.gz WNNKUFCPXHUMCJ-NUEKZKHPSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000358918534 371265714 /nfs/dbraw/zinc/26/57/14/371265714.db2.gz WNNKUFCPXHUMCJ-NUEKZKHPSA-N 2 1 274.412 2.014 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250569209 371386657 /nfs/dbraw/zinc/38/66/57/371386657.db2.gz DSTFCLDZWMEXRL-CVEARBPZSA-N 2 1 274.408 2.454 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000250645802 371387760 /nfs/dbraw/zinc/38/77/60/371387760.db2.gz KQIONJRKHNGWJG-BZSNNMDCSA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000250645802 371387765 /nfs/dbraw/zinc/38/77/65/371387765.db2.gz KQIONJRKHNGWJG-BZSNNMDCSA-N 2 1 287.451 2.368 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639506980 371369374 /nfs/dbraw/zinc/36/93/74/371369374.db2.gz FVXLKKANJNUUOA-HOTGVXAUSA-N 2 1 280.456 2.465 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639506980 371369377 /nfs/dbraw/zinc/36/93/77/371369377.db2.gz FVXLKKANJNUUOA-HOTGVXAUSA-N 2 1 280.456 2.465 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639506980 371369381 /nfs/dbraw/zinc/36/93/81/371369381.db2.gz FVXLKKANJNUUOA-HOTGVXAUSA-N 2 1 280.456 2.465 20 0 CEADMP Oc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250235897 371381306 /nfs/dbraw/zinc/38/13/06/371381306.db2.gz DOPDTAFOXIATRT-GJZGRUSLSA-N 2 1 260.381 2.151 20 0 CEADMP Cc1cccc(OCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252877034 371487291 /nfs/dbraw/zinc/48/72/91/371487291.db2.gz WMRQDPHCDSHZOP-XIRDDKMYSA-N 2 1 274.408 2.433 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000252894886 371489160 /nfs/dbraw/zinc/48/91/60/371489160.db2.gz XGBJLVMSXVNVKZ-IINYFYTJSA-N 2 1 254.324 2.395 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000252894886 371489165 /nfs/dbraw/zinc/48/91/65/371489165.db2.gz XGBJLVMSXVNVKZ-IINYFYTJSA-N 2 1 254.324 2.395 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000252157710 371433480 /nfs/dbraw/zinc/43/34/80/371433480.db2.gz NOTCOXKWTPGCSE-OAGGEKHMSA-N 2 1 295.471 2.275 20 0 CEADMP Cc1cc(C)cc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252668025 371465452 /nfs/dbraw/zinc/46/54/52/371465452.db2.gz RCHUKEDTYBKEAA-DLBZAZTESA-N 2 1 274.408 2.256 20 0 CEADMP Cc1cc(C)cc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252668025 371465453 /nfs/dbraw/zinc/46/54/53/371465453.db2.gz RCHUKEDTYBKEAA-DLBZAZTESA-N 2 1 274.408 2.256 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252715944 371472793 /nfs/dbraw/zinc/47/27/93/371472793.db2.gz XEDKAAQCYAQTPP-IOASZLSFSA-N 2 1 262.397 2.253 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715944 371472800 /nfs/dbraw/zinc/47/28/00/371472800.db2.gz XEDKAAQCYAQTPP-IOASZLSFSA-N 2 1 262.397 2.253 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000344030877 217016909 /nfs/dbraw/zinc/01/69/09/217016909.db2.gz GCVAWPGUQYJIPT-CAEXGNQWSA-N 2 1 266.429 2.262 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CC[C@H]3CCCCO3)C2)CC1 ZINC000639756251 371546353 /nfs/dbraw/zinc/54/63/53/371546353.db2.gz SWHSTQTXZPBRRW-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761371 371551065 /nfs/dbraw/zinc/55/10/65/371551065.db2.gz HGLNLEBPJCWDCG-FUHWJXTLSA-N 2 1 290.451 2.396 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2)C(C)C ZINC000639764688 371552540 /nfs/dbraw/zinc/55/25/40/371552540.db2.gz WMQWPCVFWLEFGL-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639765277 371553015 /nfs/dbraw/zinc/55/30/15/371553015.db2.gz XVHHVLNIEUNZBJ-WBVHZDCISA-N 2 1 276.424 2.179 20 0 CEADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000360976843 371576284 /nfs/dbraw/zinc/57/62/84/371576284.db2.gz WRIUEJFFANIPOD-GVDBMIGSSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000360976843 371576292 /nfs/dbraw/zinc/57/62/92/371576292.db2.gz WRIUEJFFANIPOD-GVDBMIGSSA-N 2 1 289.423 2.074 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639816724 371593014 /nfs/dbraw/zinc/59/30/14/371593014.db2.gz LMKXFWIALUBVBM-JKSUJKDBSA-N 2 1 291.443 2.180 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000261538965 371639628 /nfs/dbraw/zinc/63/96/28/371639628.db2.gz BFQBXSCFWLPEHR-VJANTYMQSA-N 2 1 299.462 2.239 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)s1 ZINC000261551003 371643041 /nfs/dbraw/zinc/64/30/41/371643041.db2.gz LSPOQFZFCJAXBW-OCCSQVGLSA-N 2 1 250.411 2.406 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)s1 ZINC000261551002 371643468 /nfs/dbraw/zinc/64/34/68/371643468.db2.gz LSPOQFZFCJAXBW-JSGCOSHPSA-N 2 1 250.411 2.406 20 0 CEADMP CC(C)c1ccc(C[N@@H+](C)CCOCC[NH3+])cc1 ZINC000261566946 371652050 /nfs/dbraw/zinc/65/20/50/371652050.db2.gz IITVPDNKVAKAOU-UHFFFAOYSA-N 2 1 250.386 2.217 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261575348 371657118 /nfs/dbraw/zinc/65/71/18/371657118.db2.gz BMSZXWJHXWSUIP-ZBFHGGJFSA-N 2 1 260.381 2.058 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261575348 371657123 /nfs/dbraw/zinc/65/71/23/371657123.db2.gz BMSZXWJHXWSUIP-ZBFHGGJFSA-N 2 1 260.381 2.058 20 0 CEADMP C[C@H]1C[C@@H](N(C)Cc2cn(C)nc2C(F)F)CC[N@H+]1C ZINC000361186993 371705394 /nfs/dbraw/zinc/70/53/94/371705394.db2.gz NQDGCKPZIHVKQK-JQWIXIFHSA-N 2 1 286.370 2.272 20 0 CEADMP CC[N@H+](C[C@@H]1COc2ccccc2O1)C[C@]1(C)CC[NH2+]C1 ZINC000261703808 371707346 /nfs/dbraw/zinc/70/73/46/371707346.db2.gz CVZKKKXMVAVQHY-RHSMWYFYSA-N 2 1 290.407 2.148 20 0 CEADMP CC[N@@H+](C[C@@H]1COc2ccccc2O1)C[C@]1(C)CC[NH2+]C1 ZINC000261703808 371707355 /nfs/dbraw/zinc/70/73/55/371707355.db2.gz CVZKKKXMVAVQHY-RHSMWYFYSA-N 2 1 290.407 2.148 20 0 CEADMP CC[C@H](O)C[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639985955 371714574 /nfs/dbraw/zinc/71/45/74/371714574.db2.gz GKOPEEOOZJHHII-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP CCCO[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261753075 371720277 /nfs/dbraw/zinc/72/02/77/371720277.db2.gz KFLDQESYPSPHEW-GJZGRUSLSA-N 2 1 254.418 2.267 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000261780299 371729915 /nfs/dbraw/zinc/72/99/15/371729915.db2.gz FJPZDEUHCXMTQN-UKRRQHHQSA-N 2 1 276.428 2.095 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@@H]21 ZINC000261813903 371740535 /nfs/dbraw/zinc/74/05/35/371740535.db2.gz AGBNRUCEIASUSM-BPQIPLTHSA-N 2 1 296.418 2.432 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000261825521 371744387 /nfs/dbraw/zinc/74/43/87/371744387.db2.gz UFOSEQBHPITDSU-OAHLLOKOSA-N 2 1 295.814 2.339 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)CC[NH2+]C1 ZINC000261994293 371792770 /nfs/dbraw/zinc/79/27/70/371792770.db2.gz KOJKSMGEYFZPSV-QWRGUYRKSA-N 2 1 250.308 2.260 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261918534 371771308 /nfs/dbraw/zinc/77/13/08/371771308.db2.gz KEXMRXGWYOKLLE-DOMZBBRYSA-N 2 1 299.422 2.053 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)COC(C)C ZINC000337324499 214008700 /nfs/dbraw/zinc/00/87/00/214008700.db2.gz BEQZNRLAZWBOPZ-OLZOCXBDSA-N 2 1 253.390 2.231 20 0 CEADMP c1ccc2cc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)ccc2c1 ZINC000261988953 371790348 /nfs/dbraw/zinc/79/03/48/371790348.db2.gz BDWXNKONAOEJSP-LJQANCHMSA-N 2 1 295.430 2.319 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2c(C)cccc2C)C1 ZINC000262164981 371832081 /nfs/dbraw/zinc/83/20/81/371832081.db2.gz UBXIGCVINGYYKU-HNNXBMFYSA-N 2 1 262.397 2.224 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000262026693 371803905 /nfs/dbraw/zinc/80/39/05/371803905.db2.gz WRDIEMTYBGSRFI-OLZOCXBDSA-N 2 1 262.397 2.427 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000262087923 371821824 /nfs/dbraw/zinc/82/18/24/371821824.db2.gz GLQLLQAHVUOHJU-GJZGRUSLSA-N 2 1 262.397 2.351 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@]2(C)CC[NH2+]C2)C1(C)C ZINC000262104882 371824012 /nfs/dbraw/zinc/82/40/12/371824012.db2.gz VWHPHMALTZIYMD-GZBFAFLISA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)CC[N@H+]1C ZINC000361483332 371868746 /nfs/dbraw/zinc/86/87/46/371868746.db2.gz DGYNHIDQRXCTLO-GOEBONIOSA-N 3 1 284.407 2.445 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)CCN1C ZINC000361483332 371868748 /nfs/dbraw/zinc/86/87/48/371868748.db2.gz DGYNHIDQRXCTLO-GOEBONIOSA-N 3 1 284.407 2.445 20 0 CEADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@@H]1C=CCCC1 ZINC000344132100 217067056 /nfs/dbraw/zinc/06/70/56/217067056.db2.gz OPWMCKMJEBNTLL-QGZVFWFLSA-N 2 1 279.472 2.445 20 0 CEADMP CCCNC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531939 372021218 /nfs/dbraw/zinc/02/12/18/372021218.db2.gz SWOGAVCCKVMSSW-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CC[C@@]1(C)CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000344221831 217104285 /nfs/dbraw/zinc/10/42/85/217104285.db2.gz SSFUSHVOHRZBFG-KRWDZBQOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000361893722 372119160 /nfs/dbraw/zinc/11/91/60/372119160.db2.gz LDTUWUNTUWDRAU-ARFHVFGLSA-N 2 1 277.412 2.376 20 0 CEADMP COc1cc[nH+]c(N2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000268281297 372091843 /nfs/dbraw/zinc/09/18/43/372091843.db2.gz BDHKZCKPZNBTHY-UHFFFAOYSA-N 2 1 284.363 2.120 20 0 CEADMP COC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000361925437 372132495 /nfs/dbraw/zinc/13/24/95/372132495.db2.gz ORCUDGAVVLCOBS-FEWQNLEASA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000361965289 372148279 /nfs/dbraw/zinc/14/82/79/372148279.db2.gz FYVMFMKJTABXFI-WMLDXEAASA-N 2 1 293.430 2.187 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000361965288 372148657 /nfs/dbraw/zinc/14/86/57/372148657.db2.gz FYVMFMKJTABXFI-RHSMWYFYSA-N 2 1 293.430 2.187 20 0 CEADMP CCn1cc([C@H](C)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cn1 ZINC000361979348 372156640 /nfs/dbraw/zinc/15/66/40/372156640.db2.gz AGQGNFYAKDTSES-TYNCELHUSA-N 2 1 262.401 2.036 20 0 CEADMP CCn1cc([C@H](C)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cn1 ZINC000361979348 372156644 /nfs/dbraw/zinc/15/66/44/372156644.db2.gz AGQGNFYAKDTSES-TYNCELHUSA-N 2 1 262.401 2.036 20 0 CEADMP Cc1ccsc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000268800162 372228218 /nfs/dbraw/zinc/22/82/18/372228218.db2.gz AVYGBWKGSKREBT-STQMWFEESA-N 2 1 268.426 2.164 20 0 CEADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccsc1 ZINC000268802295 372228346 /nfs/dbraw/zinc/22/83/46/372228346.db2.gz BLKQRYJRMUEUFR-LBPRGKRZSA-N 2 1 268.426 2.246 20 0 CEADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268805363 372229606 /nfs/dbraw/zinc/22/96/06/372229606.db2.gz CGYFRLRFCKKMIU-ZMSDIMECSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268805363 372229609 /nfs/dbraw/zinc/22/96/09/372229609.db2.gz CGYFRLRFCKKMIU-ZMSDIMECSA-N 2 1 276.424 2.258 20 0 CEADMP COCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268719861 372195010 /nfs/dbraw/zinc/19/50/10/372195010.db2.gz OBUJBQHXOLMTQL-ZBFHGGJFSA-N 2 1 262.397 2.133 20 0 CEADMP COCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268719861 372195012 /nfs/dbraw/zinc/19/50/12/372195012.db2.gz OBUJBQHXOLMTQL-ZBFHGGJFSA-N 2 1 262.397 2.133 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000268933107 372292635 /nfs/dbraw/zinc/29/26/35/372292635.db2.gz TVILEAUTQDKCAE-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000269040827 372322863 /nfs/dbraw/zinc/32/28/63/372322863.db2.gz VGGUNTFXJVBQIG-ZMSDIMECSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269040827 372322866 /nfs/dbraw/zinc/32/28/66/372322866.db2.gz VGGUNTFXJVBQIG-ZMSDIMECSA-N 2 1 276.424 2.258 20 0 CEADMP CCC[C@H]([NH3+])c1cn(C[C@@H]2CCCC[N@H+]2C(C)C)nn1 ZINC000641167227 372362164 /nfs/dbraw/zinc/36/21/64/372362164.db2.gz GJSQXARVNCFTHY-KBPBESRZSA-N 2 1 279.432 2.341 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000362468019 372374631 /nfs/dbraw/zinc/37/46/31/372374631.db2.gz NRZYWOJNBKUIRF-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@](C)([NH3+])c1cn(C[C@H]2CCCC[N@H+]2C(C)C)nn1 ZINC000641169896 372364833 /nfs/dbraw/zinc/36/48/33/372364833.db2.gz SHAAZBUJGAQWNB-HIFRSBDPSA-N 2 1 279.432 2.125 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641728565 372661913 /nfs/dbraw/zinc/66/19/13/372661913.db2.gz DLUCKMVNISYNOE-UHFFFAOYSA-N 2 1 299.378 2.343 20 0 CEADMP C[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000364324316 372726168 /nfs/dbraw/zinc/72/61/68/372726168.db2.gz MHAZDCBBTBERAW-JQHSSLGASA-N 2 1 288.435 2.318 20 0 CEADMP C[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000364324316 372726177 /nfs/dbraw/zinc/72/61/77/372726177.db2.gz MHAZDCBBTBERAW-JQHSSLGASA-N 2 1 288.435 2.318 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])on1 ZINC000641819037 372764933 /nfs/dbraw/zinc/76/49/33/372764933.db2.gz GRKSFMTUFDTVKU-DGCLKSJQSA-N 2 1 267.373 2.023 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000641802015 372745612 /nfs/dbraw/zinc/74/56/12/372745612.db2.gz XQPFTBFPPWCVLJ-CABCVRRESA-N 2 1 282.391 2.359 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641802705 372745769 /nfs/dbraw/zinc/74/57/69/372745769.db2.gz AUFDELZHVALMJW-CFVMTHIKSA-N 2 1 289.423 2.346 20 0 CEADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641803048 372745987 /nfs/dbraw/zinc/74/59/87/372745987.db2.gz CODLJIPLAWIUAD-BPNCWPANSA-N 2 1 293.386 2.177 20 0 CEADMP Cc1ccc(NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1Cl ZINC000641807937 372755196 /nfs/dbraw/zinc/75/51/96/372755196.db2.gz VXZNJCGOKAPROV-OLZOCXBDSA-N 2 1 295.814 2.302 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1cc(F)ccc1F ZINC000641808241 372756990 /nfs/dbraw/zinc/75/69/90/372756990.db2.gz UBZROIQQFAQSKM-CKLFPEKLSA-N 2 1 297.349 2.007 20 0 CEADMP C(C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1)C[NH+]1CCCCC1 ZINC000364599722 372767385 /nfs/dbraw/zinc/76/73/85/372767385.db2.gz AJPWDGSEBFXKEZ-CVEARBPZSA-N 2 1 266.429 2.221 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cs1 ZINC000333206123 205118788 /nfs/dbraw/zinc/11/87/88/205118788.db2.gz YWIJPCQAKWHQIU-LSDHHAIUSA-N 2 1 295.452 2.170 20 0 CEADMP c1ccc(O[C@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)nc1 ZINC000270572346 372850306 /nfs/dbraw/zinc/85/03/06/372850306.db2.gz GXWYFGPCWSHNJR-HNNXBMFYSA-N 2 1 275.396 2.021 20 0 CEADMP c1ccc(O[C@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)nc1 ZINC000270572346 372850309 /nfs/dbraw/zinc/85/03/09/372850309.db2.gz GXWYFGPCWSHNJR-HNNXBMFYSA-N 2 1 275.396 2.021 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351229191 284353801 /nfs/dbraw/zinc/35/38/01/284353801.db2.gz QVHAGIKKRHDBFS-CVEARBPZSA-N 2 1 267.461 2.134 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351229191 284353803 /nfs/dbraw/zinc/35/38/03/284353803.db2.gz QVHAGIKKRHDBFS-CVEARBPZSA-N 2 1 267.461 2.134 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351229191 284353804 /nfs/dbraw/zinc/35/38/04/284353804.db2.gz QVHAGIKKRHDBFS-CVEARBPZSA-N 2 1 267.461 2.134 20 0 CEADMP Oc1ccc2c(c1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000643057496 372938588 /nfs/dbraw/zinc/93/85/88/372938588.db2.gz DAGKLMZQIZMJNV-AWEZNQCLSA-N 2 1 274.408 2.183 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000353499712 220120568 /nfs/dbraw/zinc/12/05/68/220120568.db2.gz HCCAYERQVRHDCC-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000353499712 220120571 /nfs/dbraw/zinc/12/05/71/220120571.db2.gz HCCAYERQVRHDCC-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000353499712 220120573 /nfs/dbraw/zinc/12/05/73/220120573.db2.gz HCCAYERQVRHDCC-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](CCO)c1ccccc1 ZINC000270834840 372974405 /nfs/dbraw/zinc/97/44/05/372974405.db2.gz DUEBLQAIFPJBLU-INIZCTEOSA-N 2 1 273.380 2.247 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000270834840 372974413 /nfs/dbraw/zinc/97/44/13/372974413.db2.gz DUEBLQAIFPJBLU-INIZCTEOSA-N 2 1 273.380 2.247 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353517346 220133270 /nfs/dbraw/zinc/13/32/70/220133270.db2.gz KIXNJNVAOWUITL-VSZNYVQBSA-N 2 1 288.435 2.225 20 0 CEADMP CC1CC[NH+](CCN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000366361255 373027927 /nfs/dbraw/zinc/02/79/27/373027927.db2.gz SPGDHGHEQJHOBP-KZNAEPCWSA-N 2 1 291.483 2.134 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000367451575 373154463 /nfs/dbraw/zinc/15/44/63/373154463.db2.gz RILXXYIPFIGHOH-GJZGRUSLSA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000367451575 373154468 /nfs/dbraw/zinc/15/44/68/373154468.db2.gz RILXXYIPFIGHOH-GJZGRUSLSA-N 2 1 263.385 2.225 20 0 CEADMP C[C@@H]([NH2+]CC1(N)CCCCCC1)C1CC[NH+](C)CC1 ZINC000643498571 373157362 /nfs/dbraw/zinc/15/73/62/373157362.db2.gz CKVTZNHVSWUGJG-CQSZACIVSA-N 2 1 267.461 2.358 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1(C)C ZINC000643502965 373161610 /nfs/dbraw/zinc/16/16/10/373161610.db2.gz WFQSREYFQNXMFZ-MELADBBJSA-N 2 1 254.418 2.310 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1C ZINC000643464334 373132187 /nfs/dbraw/zinc/13/21/87/373132187.db2.gz GFEAJNAAFVAFBP-HUUCEWRRSA-N 2 1 264.417 2.269 20 0 CEADMP C[C@@H]1CCOCC[NH+]1CCCCC[N@@H+]1CCOCC[C@@H]1C ZINC000367667923 373178832 /nfs/dbraw/zinc/17/88/32/373178832.db2.gz XNNPDOPSGPQRBL-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP C[C@@H]1CCOCC[N@H+]1CCCCC[NH+]1CCOCC[C@@H]1C ZINC000367667923 373178836 /nfs/dbraw/zinc/17/88/36/373178836.db2.gz XNNPDOPSGPQRBL-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP C[C@@H]1CCOCC[N@@H+]1CCCCC[NH+]1CCOCC[C@@H]1C ZINC000367667923 373178843 /nfs/dbraw/zinc/17/88/43/373178843.db2.gz XNNPDOPSGPQRBL-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643528551 373185765 /nfs/dbraw/zinc/18/57/65/373185765.db2.gz LIGQYNCLLFTMHB-NEPJUHHUSA-N 2 1 278.400 2.214 20 0 CEADMP CCn1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000643546162 373202798 /nfs/dbraw/zinc/20/27/98/373202798.db2.gz JXEGUNWYOVYRAH-GXTWGEPZSA-N 2 1 262.401 2.228 20 0 CEADMP C[N@@H+](CCCCCF)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368498291 373241329 /nfs/dbraw/zinc/24/13/29/373241329.db2.gz GQLCRDBHQWJARA-INIZCTEOSA-N 2 1 285.451 2.227 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(CCO2)CC1 ZINC000369326200 373388974 /nfs/dbraw/zinc/38/89/74/373388974.db2.gz DZJNTSNEIWGORO-UHFFFAOYSA-N 2 1 263.385 2.227 20 0 CEADMP COc1c(O)cccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000272506078 373522795 /nfs/dbraw/zinc/52/27/95/373522795.db2.gz WHNHQDXCBNFKCG-LBPRGKRZSA-N 2 1 289.379 2.332 20 0 CEADMP CSC1(C[NH2+]C2CCN(C(C)C)CC2)CC[NH+](C)CC1 ZINC000353640793 220211626 /nfs/dbraw/zinc/21/16/26/220211626.db2.gz HWJMRBGIBAHHFH-UHFFFAOYSA-N 2 1 299.528 2.276 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1CC(F)(F)C1 ZINC000644652172 373582854 /nfs/dbraw/zinc/58/28/54/373582854.db2.gz XSKXIYHAXXORIH-OAHLLOKOSA-N 2 1 298.377 2.114 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1CC(F)(F)C1 ZINC000644652172 373582858 /nfs/dbraw/zinc/58/28/58/373582858.db2.gz XSKXIYHAXXORIH-OAHLLOKOSA-N 2 1 298.377 2.114 20 0 CEADMP OC1CC[NH+](CCC[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683927107 541889362 /nfs/dbraw/zinc/88/93/62/541889362.db2.gz QXTWAGNOFRLMFS-UHFFFAOYSA-N 2 1 287.407 2.104 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000272622900 373586870 /nfs/dbraw/zinc/58/68/70/373586870.db2.gz LZFUBKXPUQRIDQ-WBVHZDCISA-N 2 1 287.407 2.171 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000272622900 373586876 /nfs/dbraw/zinc/58/68/76/373586876.db2.gz LZFUBKXPUQRIDQ-WBVHZDCISA-N 2 1 287.407 2.171 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000247168487 220218997 /nfs/dbraw/zinc/21/89/97/220218997.db2.gz YGFIZDNDOPHSKC-WBVHZDCISA-N 3 1 281.488 2.428 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H]2CCN(CC)C[C@H]2C)CC1 ZINC000247168487 220218999 /nfs/dbraw/zinc/21/89/99/220218999.db2.gz YGFIZDNDOPHSKC-WBVHZDCISA-N 2 1 281.488 2.428 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCOC(C)(C)C)C2)C1 ZINC000644784211 373681150 /nfs/dbraw/zinc/68/11/50/373681150.db2.gz KPPKXARVZKQVFV-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCOC(C)(C)C)C2)C1 ZINC000644784211 373681157 /nfs/dbraw/zinc/68/11/57/373681157.db2.gz KPPKXARVZKQVFV-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCOC(C)(C)C)C2)C1 ZINC000644784211 373681168 /nfs/dbraw/zinc/68/11/68/373681168.db2.gz KPPKXARVZKQVFV-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP CCOC(=O)c1coc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000353660651 220234359 /nfs/dbraw/zinc/23/43/59/220234359.db2.gz NQOXPSKBTLNVQK-UHFFFAOYSA-N 2 1 294.395 2.230 20 0 CEADMP Cc1cn2c([nH+]1)CC[C@@H](N[C@@H](C)c1nc(C(C)C)no1)C2 ZINC000371490187 373899872 /nfs/dbraw/zinc/89/98/72/373899872.db2.gz CZYJXXRGENCNQB-NWDGAFQWSA-N 2 1 289.383 2.364 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cn1 ZINC000371320327 373841837 /nfs/dbraw/zinc/84/18/37/373841837.db2.gz BPIYRKAQJMWMIJ-UKRRQHHQSA-N 2 1 286.379 2.370 20 0 CEADMP COc1ccc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cn1 ZINC000371320327 373841841 /nfs/dbraw/zinc/84/18/41/373841841.db2.gz BPIYRKAQJMWMIJ-UKRRQHHQSA-N 2 1 286.379 2.370 20 0 CEADMP Cc1cn2c([nH+]1)CC[C@H](N[C@H](C)c1nc(C(C)C)no1)C2 ZINC000371490186 373901080 /nfs/dbraw/zinc/90/10/80/373901080.db2.gz CZYJXXRGENCNQB-NEPJUHHUSA-N 2 1 289.383 2.364 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(Br)nc1 ZINC000289530772 197391945 /nfs/dbraw/zinc/39/19/45/197391945.db2.gz BEEKWWPNNULVKS-SNVBAGLBSA-N 2 1 286.217 2.446 20 0 CEADMP CC[N@@H+]1C[C@H](NCCC[NH+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000343112047 220248351 /nfs/dbraw/zinc/24/83/51/220248351.db2.gz WEXJPXMYECHNEZ-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1C[C@H](NCCC[N@@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000343112047 220248354 /nfs/dbraw/zinc/24/83/54/220248354.db2.gz WEXJPXMYECHNEZ-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1C[C@H](NCCC[N@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000343112047 220248359 /nfs/dbraw/zinc/24/83/59/220248359.db2.gz WEXJPXMYECHNEZ-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[NH+](C)C ZINC000274823227 374062468 /nfs/dbraw/zinc/06/24/68/374062468.db2.gz KLLIFMTVARMLOV-NVXWUHKLSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN(C)C ZINC000274823227 374062485 /nfs/dbraw/zinc/06/24/85/374062485.db2.gz KLLIFMTVARMLOV-NVXWUHKLSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN(C)C ZINC000274823227 374062491 /nfs/dbraw/zinc/06/24/91/374062491.db2.gz KLLIFMTVARMLOV-NVXWUHKLSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+](C)C ZINC000274823229 374062885 /nfs/dbraw/zinc/06/28/85/374062885.db2.gz KLLIFMTVARMLOV-WBVHZDCISA-N 2 1 275.440 2.048 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN(C)C ZINC000274823229 374062895 /nfs/dbraw/zinc/06/28/95/374062895.db2.gz KLLIFMTVARMLOV-WBVHZDCISA-N 2 1 275.440 2.048 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN(C)C ZINC000274823229 374062898 /nfs/dbraw/zinc/06/28/98/374062898.db2.gz KLLIFMTVARMLOV-WBVHZDCISA-N 2 1 275.440 2.048 20 0 CEADMP CCCc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000274830497 374063813 /nfs/dbraw/zinc/06/38/13/374063813.db2.gz UFMOFACUCOFYFF-QGZVFWFLSA-N 2 1 276.424 2.185 20 0 CEADMP Cc1cnccc1CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000645811675 374199869 /nfs/dbraw/zinc/19/98/69/374199869.db2.gz BCFDYPHFDRASFN-ZBFHGGJFSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cnccc1CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000645811675 374199877 /nfs/dbraw/zinc/19/98/77/374199877.db2.gz BCFDYPHFDRASFN-ZBFHGGJFSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cnccc1CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000645811675 374199885 /nfs/dbraw/zinc/19/98/85/374199885.db2.gz BCFDYPHFDRASFN-ZBFHGGJFSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cnccc1CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000645811675 374199891 /nfs/dbraw/zinc/19/98/91/374199891.db2.gz BCFDYPHFDRASFN-ZBFHGGJFSA-N 2 1 261.413 2.347 20 0 CEADMP C[C@H]1C[N@@H+](CC2=CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000645842905 374219660 /nfs/dbraw/zinc/21/96/60/374219660.db2.gz ZBODZDZQJHBISW-RDJZCZTQSA-N 2 1 277.456 2.055 20 0 CEADMP Cc1ccc(O)c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)n1 ZINC000276682539 374264820 /nfs/dbraw/zinc/26/48/20/374264820.db2.gz IHGDIMOZDNEQBP-UHFFFAOYSA-N 2 1 277.412 2.307 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000684025088 541909631 /nfs/dbraw/zinc/90/96/31/541909631.db2.gz LNIGVFGHFFLMOK-UHFFFAOYSA-N 2 1 287.407 2.104 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000373499322 374366573 /nfs/dbraw/zinc/36/65/73/374366573.db2.gz XBCLPLCMAKMJSJ-DOMZBBRYSA-N 2 1 263.385 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000373499322 374366576 /nfs/dbraw/zinc/36/65/76/374366576.db2.gz XBCLPLCMAKMJSJ-DOMZBBRYSA-N 2 1 263.385 2.081 20 0 CEADMP CC(C)CC[C@@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000373647838 374399509 /nfs/dbraw/zinc/39/95/09/374399509.db2.gz NXXBMOOUOZQATO-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1O ZINC000277221327 374442900 /nfs/dbraw/zinc/44/29/00/374442900.db2.gz MCJLRRRXVUDZQU-ZDUSSCGKSA-N 2 1 292.423 2.406 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC(c2c[nH]cn2)CC1 ZINC000374201972 374510864 /nfs/dbraw/zinc/51/08/64/374510864.db2.gz YFHWAYAMSQLXMC-CHWSQXEVSA-N 2 1 292.427 2.282 20 0 CEADMP C[N@H+](CC[NH2+][C@@H]1CCC12CCOCC2)C1CCCC1 ZINC000374287071 374531624 /nfs/dbraw/zinc/53/16/24/374531624.db2.gz JDJGPJNXWWZRQD-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@@H+](CC[NH2+][C@@H]1CCC12CCOCC2)C1CCCC1 ZINC000374287071 374531631 /nfs/dbraw/zinc/53/16/31/374531631.db2.gz JDJGPJNXWWZRQD-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2)CCCO1 ZINC000277690329 374610905 /nfs/dbraw/zinc/61/09/05/374610905.db2.gz HIKRIYOGANCABZ-OAHLLOKOSA-N 2 1 262.397 2.277 20 0 CEADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc2nccn2c1 ZINC000277811045 374653569 /nfs/dbraw/zinc/65/35/69/374653569.db2.gz GZVSMOOWYROWIS-OAHLLOKOSA-N 2 1 298.390 2.081 20 0 CEADMP Cc1nccn1CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000376793601 374735475 /nfs/dbraw/zinc/73/54/75/374735475.db2.gz HXFYIWTYKVHWAM-QGZVFWFLSA-N 2 1 290.455 2.389 20 0 CEADMP CC(C)[C@](C)(O)C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000377262863 374825821 /nfs/dbraw/zinc/82/58/21/374825821.db2.gz SJHBYSJIXOMPKF-DZGCQCFKSA-N 2 1 265.401 2.007 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000377560755 374886346 /nfs/dbraw/zinc/88/63/46/374886346.db2.gz FYFPYDZVTRQHCD-ARFHVFGLSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccncc1Cl ZINC000278825601 374836489 /nfs/dbraw/zinc/83/64/89/374836489.db2.gz UJTTVTDFKPAASN-GFCCVEGCSA-N 2 1 295.814 2.425 20 0 CEADMP C[C@@H]1CN(C2CCOCC2)CCN1c1ccncc1Cl ZINC000278825601 374836497 /nfs/dbraw/zinc/83/64/97/374836497.db2.gz UJTTVTDFKPAASN-GFCCVEGCSA-N 2 1 295.814 2.425 20 0 CEADMP O=C(Nc1ccn2ccnc2c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377811966 374956815 /nfs/dbraw/zinc/95/68/15/374956815.db2.gz RBELJZWRNSVFQP-TZMCWYRMSA-N 2 1 299.378 2.083 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000378371623 375086051 /nfs/dbraw/zinc/08/60/51/375086051.db2.gz SHXOCRDTRGXUQW-RRFJBIMHSA-N 2 1 268.445 2.464 20 0 CEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@@H]3CCCC[C@H]3O)C2)c1 ZINC000378321691 375069029 /nfs/dbraw/zinc/06/90/29/375069029.db2.gz BHXCFATUZGKADV-ARFHVFGLSA-N 2 1 289.423 2.427 20 0 CEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@@H]3CCCC[C@H]3O)C2)c1 ZINC000378321691 375069031 /nfs/dbraw/zinc/06/90/31/375069031.db2.gz BHXCFATUZGKADV-ARFHVFGLSA-N 2 1 289.423 2.427 20 0 CEADMP C[C@H](C[NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658513 375157068 /nfs/dbraw/zinc/15/70/68/375157068.db2.gz WNVIQEMDHFBEEN-INMHGKMJSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379658513 375157074 /nfs/dbraw/zinc/15/70/74/375157074.db2.gz WNVIQEMDHFBEEN-INMHGKMJSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658513 375157078 /nfs/dbraw/zinc/15/70/78/375157078.db2.gz WNVIQEMDHFBEEN-INMHGKMJSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658513 375157085 /nfs/dbraw/zinc/15/70/85/375157085.db2.gz WNVIQEMDHFBEEN-INMHGKMJSA-N 3 1 275.440 2.224 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000386139974 375253397 /nfs/dbraw/zinc/25/33/97/375253397.db2.gz NITLTMOYURHCIY-RBSFLKMASA-N 2 1 256.434 2.103 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)[C@H](C)O1 ZINC000384677867 375213593 /nfs/dbraw/zinc/21/35/93/375213593.db2.gz ZTQBFEHUVSGRJU-KBXIAJHMSA-N 2 1 254.418 2.406 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)nn1C ZINC000282320123 375456712 /nfs/dbraw/zinc/45/67/12/375456712.db2.gz UGEWLYIOKMEDNA-AAEUAGOBSA-N 2 1 275.400 2.220 20 0 CEADMP C[N@@H+](CCCCNC(=O)CC[C@H]1CCCC[NH+]1C)C1CC1 ZINC000412420002 375553574 /nfs/dbraw/zinc/55/35/74/375553574.db2.gz HJMSVXHHRQYWHH-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CCCCNC(=O)CC[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000412420002 375553581 /nfs/dbraw/zinc/55/35/81/375553581.db2.gz HJMSVXHHRQYWHH-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CCCCNC(=O)CC[C@H]1CCCC[N@H+]1C)C1CC1 ZINC000412420002 375553587 /nfs/dbraw/zinc/55/35/87/375553587.db2.gz HJMSVXHHRQYWHH-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+](CC(=O)Nc1ccc(C[NH+](C)C)cc1F)C1CC1 ZINC000412557541 375610263 /nfs/dbraw/zinc/61/02/63/375610263.db2.gz JBBMVGJALYORGI-UHFFFAOYSA-N 2 1 293.386 2.310 20 0 CEADMP CC[N@@H+](CC(=O)Nc1ccc(C[NH+](C)C)cc1F)C1CC1 ZINC000412557541 375610268 /nfs/dbraw/zinc/61/02/68/375610268.db2.gz JBBMVGJALYORGI-UHFFFAOYSA-N 2 1 293.386 2.310 20 0 CEADMP Cc1ccc2nc(CNC[C@@H](C)[N@@H+](C)C3CC3)cn2c1 ZINC000283867485 375773604 /nfs/dbraw/zinc/77/36/04/375773604.db2.gz IMSYFELMYPKXLZ-CYBMUJFWSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1ccc2nc(C[NH2+]C[C@@H](C)N(C)C3CC3)cn2c1 ZINC000283867485 375773607 /nfs/dbraw/zinc/77/36/07/375773607.db2.gz IMSYFELMYPKXLZ-CYBMUJFWSA-N 2 1 272.396 2.215 20 0 CEADMP CC[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)OC ZINC000412980118 375773728 /nfs/dbraw/zinc/77/37/28/375773728.db2.gz WDVYHIRYTQGXTQ-OAHLLOKOSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C12CCC2 ZINC000414176452 375800662 /nfs/dbraw/zinc/80/06/62/375800662.db2.gz IDUINIQLOVCFRA-SBJFKYEJSA-N 2 1 266.429 2.262 20 0 CEADMP Cc1ncccc1Cc1nc(C2(N)CCCC2)no1 ZINC000414632181 375891331 /nfs/dbraw/zinc/89/13/31/375891331.db2.gz YRSCOLBUNHMIFZ-UHFFFAOYSA-N 2 1 258.325 2.092 20 0 CEADMP Cc1cccc2ncc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n21 ZINC000414764350 375954432 /nfs/dbraw/zinc/95/44/32/375954432.db2.gz DDTDXRQGIUZQFD-GASCZTMLSA-N 2 1 284.407 2.074 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414763414 375954975 /nfs/dbraw/zinc/95/49/75/375954975.db2.gz XLCAYXABWIFCJG-ZBFHGGJFSA-N 2 1 284.444 2.271 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C1CC[NH2+]CC1 ZINC000414795836 375980994 /nfs/dbraw/zinc/98/09/94/375980994.db2.gz XGPZFFJZYFQHRO-UHFFFAOYSA-N 2 1 264.417 2.097 20 0 CEADMP COCc1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414783160 375967377 /nfs/dbraw/zinc/96/73/77/375967377.db2.gz PLOMCRUFTZTCLX-QWHCGFSZSA-N 2 1 295.452 2.111 20 0 CEADMP COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414702123 375927747 /nfs/dbraw/zinc/92/77/47/375927747.db2.gz UUNYTBODFMMQDB-FMKPAKJESA-N 2 1 290.407 2.221 20 0 CEADMP COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414702123 375927755 /nfs/dbraw/zinc/92/77/55/375927755.db2.gz UUNYTBODFMMQDB-FMKPAKJESA-N 2 1 290.407 2.221 20 0 CEADMP [NH3+]CCC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000414707096 375932919 /nfs/dbraw/zinc/93/29/19/375932919.db2.gz NKWJFTUWPUVVHZ-NSHDSACASA-N 2 1 254.761 2.142 20 0 CEADMP [NH3+]CCC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000414707096 375932922 /nfs/dbraw/zinc/93/29/22/375932922.db2.gz NKWJFTUWPUVVHZ-NSHDSACASA-N 2 1 254.761 2.142 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCC2CCOCC2)CC[NH2+]1 ZINC000414715318 375936761 /nfs/dbraw/zinc/93/67/61/375936761.db2.gz WHVNCDJNIRJQJG-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)CCc2nccs2)CC[NH2+]1 ZINC000414715598 375937373 /nfs/dbraw/zinc/93/73/73/375937373.db2.gz YVTFYARHIUOTMD-VXGBXAGGSA-N 2 1 253.415 2.006 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CC[NH2+]1 ZINC000414734254 375943176 /nfs/dbraw/zinc/94/31/76/375943176.db2.gz DJFVULNLALUSRW-OIISXLGYSA-N 3 1 279.472 2.038 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC[NH2+]1 ZINC000414734254 375943184 /nfs/dbraw/zinc/94/31/84/375943184.db2.gz DJFVULNLALUSRW-OIISXLGYSA-N 3 1 279.472 2.038 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC[NH2+]1 ZINC000414734254 375943191 /nfs/dbraw/zinc/94/31/91/375943191.db2.gz DJFVULNLALUSRW-OIISXLGYSA-N 3 1 279.472 2.038 20 0 CEADMP C[C@@H]1C[C@H](CNCC[NH2+]C2CCCCCC2)CC[NH2+]1 ZINC000414805079 375991781 /nfs/dbraw/zinc/99/17/81/375991781.db2.gz LRDKNDBPWHGELJ-HUUCEWRRSA-N 2 1 267.461 2.277 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]CCNC2CCCCCC2)CC[NH2+]1 ZINC000414805079 375991787 /nfs/dbraw/zinc/99/17/87/375991787.db2.gz LRDKNDBPWHGELJ-HUUCEWRRSA-N 2 1 267.461 2.277 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(-n2cncn2)c(C)c1 ZINC000414805577 375991858 /nfs/dbraw/zinc/99/18/58/375991858.db2.gz GPRCZGQKFHAWMC-UHFFFAOYSA-N 2 1 287.411 2.183 20 0 CEADMP CCN1CCC([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414807858 375993337 /nfs/dbraw/zinc/99/33/37/375993337.db2.gz DJOCWUGYDJATFG-CYBMUJFWSA-N 2 1 261.413 2.280 20 0 CEADMP CC[NH+]1CCC(NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414807858 375993342 /nfs/dbraw/zinc/99/33/42/375993342.db2.gz DJOCWUGYDJATFG-CYBMUJFWSA-N 2 1 261.413 2.280 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000414809799 375994623 /nfs/dbraw/zinc/99/46/23/375994623.db2.gz UNESALGSWWLKIO-YOEHRIQHSA-N 2 1 284.407 2.479 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414802227 375986950 /nfs/dbraw/zinc/98/69/50/375986950.db2.gz VFIUTNQPUFMNKU-DLBZAZTESA-N 2 1 292.423 2.317 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000287185268 376167706 /nfs/dbraw/zinc/16/77/06/376167706.db2.gz VMBVDXXUQJPPNY-ZMSDIMECSA-N 2 1 275.440 2.189 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000287185268 376167713 /nfs/dbraw/zinc/16/77/13/376167713.db2.gz VMBVDXXUQJPPNY-ZMSDIMECSA-N 2 1 275.440 2.189 20 0 CEADMP COC[C@H]1C[N@@H+](CCCc2cnccc2C)C[C@H](C)O1 ZINC000289692294 376447735 /nfs/dbraw/zinc/44/77/35/376447735.db2.gz NEFIHHKNUXPTLQ-GOEBONIOSA-N 2 1 278.396 2.058 20 0 CEADMP COC[C@H]1CN(CCCc2cnccc2C)C[C@H](C)O1 ZINC000289692294 376447740 /nfs/dbraw/zinc/44/77/40/376447740.db2.gz NEFIHHKNUXPTLQ-GOEBONIOSA-N 2 1 278.396 2.058 20 0 CEADMP CN(CC[N@@H+](C)Cc1ccsc1)C1CC[NH+](C)CC1 ZINC000289773323 376493274 /nfs/dbraw/zinc/49/32/74/376493274.db2.gz KQXVNSOWGNQSOI-UHFFFAOYSA-N 2 1 281.469 2.206 20 0 CEADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000289896901 376549886 /nfs/dbraw/zinc/54/98/86/376549886.db2.gz MUODZUBDQXQWEV-OLMNPRSZSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000289896901 376549895 /nfs/dbraw/zinc/54/98/95/376549895.db2.gz MUODZUBDQXQWEV-OLMNPRSZSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1[C@@H](c2ccccc2)CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000289896901 376549903 /nfs/dbraw/zinc/54/99/03/376549903.db2.gz MUODZUBDQXQWEV-OLMNPRSZSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1[C@@H](c2ccccc2)CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289896901 376549914 /nfs/dbraw/zinc/54/99/14/376549914.db2.gz MUODZUBDQXQWEV-OLMNPRSZSA-N 2 1 288.435 2.320 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000334312137 206352596 /nfs/dbraw/zinc/35/25/96/206352596.db2.gz LWPXEBDJFMEFOW-LBPRGKRZSA-N 2 1 271.364 2.111 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1O ZINC000290009000 376600577 /nfs/dbraw/zinc/60/05/77/376600577.db2.gz ZJCXMDRIFUMNDC-LLVKDONJSA-N 2 1 252.358 2.003 20 0 CEADMP C[C@@H]1[C@@H](NCc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000309746885 376602280 /nfs/dbraw/zinc/60/22/80/376602280.db2.gz USBMXHANHGFDAK-PBHICJAKSA-N 2 1 284.407 2.173 20 0 CEADMP C[C@@H]1[C@@H](NCc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000309746885 376602287 /nfs/dbraw/zinc/60/22/87/376602287.db2.gz USBMXHANHGFDAK-PBHICJAKSA-N 2 1 284.407 2.173 20 0 CEADMP C[C@H]1C[N@@H+](CCc2cncn2C)C[C@H](c2ccccc2)O1 ZINC000289980392 376585298 /nfs/dbraw/zinc/58/52/98/376585298.db2.gz JPWVULGISRAUEK-WMLDXEAASA-N 2 1 285.391 2.425 20 0 CEADMP C[C@H]1CN(CCc2cncn2C)C[C@H](c2ccccc2)O1 ZINC000289980392 376585304 /nfs/dbraw/zinc/58/53/04/376585304.db2.gz JPWVULGISRAUEK-WMLDXEAASA-N 2 1 285.391 2.425 20 0 CEADMP CC[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000558710030 376636615 /nfs/dbraw/zinc/63/66/15/376636615.db2.gz JXVLKISINRUUEG-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000558710030 376636622 /nfs/dbraw/zinc/63/66/22/376636622.db2.gz JXVLKISINRUUEG-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C(C)C ZINC000310793808 376637829 /nfs/dbraw/zinc/63/78/29/376637829.db2.gz BLJRNBGSGYWYFS-HNNXBMFYSA-N 2 1 256.434 2.342 20 0 CEADMP CCCCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C(C)C ZINC000310793808 376637840 /nfs/dbraw/zinc/63/78/40/376637840.db2.gz BLJRNBGSGYWYFS-HNNXBMFYSA-N 2 1 256.434 2.342 20 0 CEADMP CCCCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000310793808 376637847 /nfs/dbraw/zinc/63/78/47/376637847.db2.gz BLJRNBGSGYWYFS-HNNXBMFYSA-N 2 1 256.434 2.342 20 0 CEADMP CCCCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000310793808 376637859 /nfs/dbraw/zinc/63/78/59/376637859.db2.gz BLJRNBGSGYWYFS-HNNXBMFYSA-N 2 1 256.434 2.342 20 0 CEADMP CCC[C@@H]1C[NH2+]CCN1c1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000420243544 376652042 /nfs/dbraw/zinc/65/20/42/376652042.db2.gz XWWWMZJVNMLROB-CYBMUJFWSA-N 2 1 291.443 2.244 20 0 CEADMP [NH3+]CC[C@H]1CCCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000420249287 376659323 /nfs/dbraw/zinc/65/93/23/376659323.db2.gz YDYPJCOOZJLVER-CQSZACIVSA-N 2 1 289.427 2.032 20 0 CEADMP COc1ccccc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000290236936 376700754 /nfs/dbraw/zinc/70/07/54/376700754.db2.gz UHDVJDREZJNELL-UHFFFAOYSA-N 2 1 293.455 2.011 20 0 CEADMP Fc1ccc(OCCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000312366582 376711250 /nfs/dbraw/zinc/71/12/50/376711250.db2.gz KJEJVHGJHGWWTE-INIZCTEOSA-N 2 1 278.371 2.280 20 0 CEADMP C[C@@]1(c2ccccc2)C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000560125049 376714573 /nfs/dbraw/zinc/71/45/73/376714573.db2.gz NFSNKPOKBIPPFW-KRWDZBQOSA-N 2 1 274.408 2.234 20 0 CEADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000313363597 376744360 /nfs/dbraw/zinc/74/43/60/376744360.db2.gz ZCWGHPORSBIPQO-QLFBSQMISA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC(C)(C)O1 ZINC000211957603 542093634 /nfs/dbraw/zinc/09/36/34/542093634.db2.gz HXZROLWBRZPZBI-CYBMUJFWSA-N 2 1 274.408 2.332 20 0 CEADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC[NH+](C)C)CC2 ZINC000280130248 542118413 /nfs/dbraw/zinc/11/84/13/542118413.db2.gz OXHKLZNCFDNIBE-AWEZNQCLSA-N 2 1 278.396 2.232 20 0 CEADMP COC1(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CCCC1 ZINC000318923576 376813059 /nfs/dbraw/zinc/81/30/59/376813059.db2.gz DLECUEMQUAWJOD-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]CC2(OC)CCCCC2)C1 ZINC000319636205 376817535 /nfs/dbraw/zinc/81/75/35/376817535.db2.gz MQNGRDCDWLHHRM-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000562093010 376844079 /nfs/dbraw/zinc/84/40/79/376844079.db2.gz UBIFZOWRHXWDDI-XHSDSOJGSA-N 2 1 269.477 2.427 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000562093010 376844082 /nfs/dbraw/zinc/84/40/82/376844082.db2.gz UBIFZOWRHXWDDI-XHSDSOJGSA-N 2 1 269.477 2.427 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000562093010 376844084 /nfs/dbraw/zinc/84/40/84/376844084.db2.gz UBIFZOWRHXWDDI-XHSDSOJGSA-N 2 1 269.477 2.427 20 0 CEADMP COc1cc(Cl)ccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422891923 376854663 /nfs/dbraw/zinc/85/46/63/376854663.db2.gz WVUCROWJHFJMLQ-VIFPVBQESA-N 2 1 254.761 2.046 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422979142 376902701 /nfs/dbraw/zinc/90/27/01/376902701.db2.gz LKSZXYDEQWJAAK-ZIAGYGMSSA-N 2 1 256.434 2.438 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422979932 376902862 /nfs/dbraw/zinc/90/28/62/376902862.db2.gz NXNCUMRKJXBRIL-KFWWJZLASA-N 2 1 256.434 2.294 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000422961148 376886497 /nfs/dbraw/zinc/88/64/97/376886497.db2.gz ATHCXFUYPXZHBU-OAGGEKHMSA-N 2 1 291.439 2.394 20 0 CEADMP CN(C)[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1ccco1 ZINC000422961361 376886862 /nfs/dbraw/zinc/88/68/62/376886862.db2.gz BLUBYOHQQSTCEE-HZSPNIEDSA-N 2 1 265.401 2.132 20 0 CEADMP C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1c[nH+]ccc1N ZINC000423083401 376976502 /nfs/dbraw/zinc/97/65/02/376976502.db2.gz YURJSVZKIKMZDF-WBMJQRKESA-N 2 1 277.412 2.476 20 0 CEADMP CCC(CC)[C@H](CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C)OC ZINC000423002078 376919715 /nfs/dbraw/zinc/91/97/15/376919715.db2.gz YHLCIDYOPINILM-QEJZJMRPSA-N 2 1 256.434 2.415 20 0 CEADMP COc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c2ccccc2n1 ZINC000423003823 376921657 /nfs/dbraw/zinc/92/16/57/376921657.db2.gz IVUAYDIAGOKVHY-HIFRSBDPSA-N 2 1 271.364 2.213 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000423015033 376929359 /nfs/dbraw/zinc/92/93/59/376929359.db2.gz QFCIBLBHOYRYMR-UTUOFQBUSA-N 2 1 282.350 2.200 20 0 CEADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC2CCC2)n1 ZINC000423016656 376931232 /nfs/dbraw/zinc/93/12/32/376931232.db2.gz UIGIGUYEKHJYRO-YIONKMFJSA-N 2 1 287.407 2.386 20 0 CEADMP CC[C@H](NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423084537 376977845 /nfs/dbraw/zinc/97/78/45/376977845.db2.gz IHALYTSOELKMLW-KKUMJFAQSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOC(F)(F)F ZINC000423070376 376961492 /nfs/dbraw/zinc/96/14/92/376961492.db2.gz NBPOQSDNHXCWLJ-JQWIXIFHSA-N 2 1 276.302 2.071 20 0 CEADMP Cc1cscc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423085471 376979150 /nfs/dbraw/zinc/97/91/50/376979150.db2.gz JZBYHSVCXHBASO-ZNMIVQPWSA-N 2 1 280.437 2.303 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)CC2 ZINC000423079527 376971169 /nfs/dbraw/zinc/97/11/69/376971169.db2.gz QTRYBUOFAXRJMN-NUEKZKHPSA-N 2 1 290.455 2.442 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000423118444 377013753 /nfs/dbraw/zinc/01/37/53/377013753.db2.gz APCPRNTVVOYGEG-LJIGWXMPSA-N 2 1 275.440 2.365 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000423118444 377013761 /nfs/dbraw/zinc/01/37/61/377013761.db2.gz APCPRNTVVOYGEG-LJIGWXMPSA-N 2 1 275.440 2.365 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000423121427 377017832 /nfs/dbraw/zinc/01/78/32/377017832.db2.gz IRWZNGJMAMDEFR-ZIAGYGMSSA-N 2 1 258.369 2.313 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1c[nH+]ccc1N ZINC000423123067 377019512 /nfs/dbraw/zinc/01/95/12/377019512.db2.gz LYBDNBRIOUEZJA-NWDGAFQWSA-N 2 1 269.348 2.321 20 0 CEADMP COC[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423091914 376986333 /nfs/dbraw/zinc/98/63/33/376986333.db2.gz ZPDFGANSFYZRBC-IINYFYTJSA-N 2 1 268.788 2.225 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400407694 284609243 /nfs/dbraw/zinc/60/92/43/284609243.db2.gz RZQPQBVNAOKXLP-ZNMIVQPWSA-N 2 1 255.450 2.227 20 0 CEADMP CCCc1ncc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000423149072 377049834 /nfs/dbraw/zinc/04/98/34/377049834.db2.gz AHBSHOVFBFBREY-YPMHNXCESA-N 2 1 251.374 2.234 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423108985 377002941 /nfs/dbraw/zinc/00/29/41/377002941.db2.gz MZFPTTNRELKSHX-SOUVJXGZSA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]([NH2+]CCOCC1CCCC1)c1c[nH+]ccc1N ZINC000423157069 377059307 /nfs/dbraw/zinc/05/93/07/377059307.db2.gz ACKIRNHWNJKQOT-GFCCVEGCSA-N 2 1 263.385 2.352 20 0 CEADMP FC1(F)CC(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423168621 377074261 /nfs/dbraw/zinc/07/42/61/377074261.db2.gz UVMXNDLVRNYQOG-BFHYXJOUSA-N 2 1 288.382 2.169 20 0 CEADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000423168630 377075239 /nfs/dbraw/zinc/07/52/39/377075239.db2.gz UWXPCPDVSLDMFI-HWWQOWPSSA-N 2 1 280.387 2.495 20 0 CEADMP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423175562 377084483 /nfs/dbraw/zinc/08/44/83/377084483.db2.gz DZWAGJZBIJCKON-CSFVBSKPSA-N 2 1 274.408 2.386 20 0 CEADMP COC[C@H]([NH2+]CC[NH2+]C1CCCCCC1)C1CCOCC1 ZINC000423272007 377193006 /nfs/dbraw/zinc/19/30/06/377193006.db2.gz HUEMNYNQDXRWHQ-KRWDZBQOSA-N 2 1 298.471 2.330 20 0 CEADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000423220745 377136179 /nfs/dbraw/zinc/13/61/79/377136179.db2.gz YMPAMINFHBOAID-QLFBSQMISA-N 2 1 259.397 2.368 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2ccnc2)C[C@H]1C ZINC000563243504 377141605 /nfs/dbraw/zinc/14/16/05/377141605.db2.gz QZAMYOGCIWAZGH-KFWWJZLASA-N 2 1 292.427 2.165 20 0 CEADMP C[NH2+]CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423226839 377142242 /nfs/dbraw/zinc/14/22/42/377142242.db2.gz SMZWWMKDLLSVHD-KZNAEPCWSA-N 2 1 287.451 2.096 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]([NH3+])c1ccccc1 ZINC000423239526 377157073 /nfs/dbraw/zinc/15/70/73/377157073.db2.gz BHFHDTPGDHPJNR-PXAZEXFGSA-N 2 1 284.407 2.199 20 0 CEADMP CC[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423245326 377166705 /nfs/dbraw/zinc/16/67/05/377166705.db2.gz MHFUPDHEGJWVCK-DOTOQJQBSA-N 2 1 275.440 2.096 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccccc2)CCCC1 ZINC000563354236 377180768 /nfs/dbraw/zinc/18/07/68/377180768.db2.gz MVCBXIMTJCTYPD-INIZCTEOSA-N 2 1 276.424 2.358 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1c(C)cccc1C ZINC000563352247 377181131 /nfs/dbraw/zinc/18/11/31/377181131.db2.gz HHRVSZZXOUIACD-GJZGRUSLSA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1c(C)cccc1C ZINC000563352247 377181139 /nfs/dbraw/zinc/18/11/39/377181139.db2.gz HHRVSZZXOUIACD-GJZGRUSLSA-N 2 1 264.413 2.267 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H](C[NH3+])C2CCCCC2)C[N@H+]1C1CC1 ZINC000423261998 377181564 /nfs/dbraw/zinc/18/15/64/377181564.db2.gz LIFPPFRBYCFODN-INWMFGNUSA-N 2 1 265.445 2.109 20 0 CEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)[C@@H]1CCCOC1 ZINC000423266810 377184043 /nfs/dbraw/zinc/18/40/43/377184043.db2.gz SHFKPIMLKPHLNE-CFVMTHIKSA-N 2 1 254.418 2.299 20 0 CEADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H]([NH3+])C(C)C ZINC000423269415 377189358 /nfs/dbraw/zinc/18/93/58/377189358.db2.gz HCQXLQPALVENMO-KBPBESRZSA-N 2 1 266.360 2.395 20 0 CEADMP COCCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423280700 377207503 /nfs/dbraw/zinc/20/75/03/377207503.db2.gz UJNNPYIPGJPQLG-BBRMVZONSA-N 2 1 280.412 2.346 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000423282346 377210314 /nfs/dbraw/zinc/21/03/14/377210314.db2.gz VVFIDYKSMRUOPS-JSGCOSHPSA-N 2 1 278.396 2.482 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000423284375 377212256 /nfs/dbraw/zinc/21/22/56/377212256.db2.gz YFTIVFQNRUKGBU-WDEREUQCSA-N 2 1 254.349 2.340 20 0 CEADMP Cc1[nH+]cc(CNc2cccc(C[NH+](C)C)c2)n1C ZINC000563438611 377225137 /nfs/dbraw/zinc/22/51/37/377225137.db2.gz GMWCADMKXZEXST-UHFFFAOYSA-N 2 1 258.369 2.402 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000423298217 377227292 /nfs/dbraw/zinc/22/72/92/377227292.db2.gz NQMDBPARDVJTFU-RBSFLKMASA-N 2 1 284.444 2.068 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1(CC)CC ZINC000423300057 377230185 /nfs/dbraw/zinc/23/01/85/377230185.db2.gz DBYVGXKXIAPQKC-IHRRRGAJSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc2c(c1)OCCCO2 ZINC000423337375 377268474 /nfs/dbraw/zinc/26/84/74/377268474.db2.gz YGOWVEXVWDNXMJ-FZMZJTMJSA-N 2 1 276.380 2.236 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](CCc1ccccc1)CC(C)C ZINC000563544865 377247010 /nfs/dbraw/zinc/24/70/10/377247010.db2.gz FEWFSYAFIIIQPD-GOSISDBHSA-N 2 1 292.467 2.500 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CCc1ccccc1)CC(C)C ZINC000563544865 377247020 /nfs/dbraw/zinc/24/70/20/377247020.db2.gz FEWFSYAFIIIQPD-GOSISDBHSA-N 2 1 292.467 2.500 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](CCc1ccccc1)CC(C)C ZINC000563544865 377247028 /nfs/dbraw/zinc/24/70/28/377247028.db2.gz FEWFSYAFIIIQPD-GOSISDBHSA-N 2 1 292.467 2.500 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CCc1ccccc1)CC(C)C ZINC000563544865 377247039 /nfs/dbraw/zinc/24/70/39/377247039.db2.gz FEWFSYAFIIIQPD-GOSISDBHSA-N 2 1 292.467 2.500 20 0 CEADMP C[C@@H](NCC1([NH3+])CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423318242 377248494 /nfs/dbraw/zinc/24/84/94/377248494.db2.gz DGASVBLHAWHBGX-NVXWUHKLSA-N 2 1 287.451 2.368 20 0 CEADMP CC(C)[C@H]([NH2+]CC1C[NH2+]C1)c1cc(F)ccc1F ZINC000423326201 377257992 /nfs/dbraw/zinc/25/79/92/377257992.db2.gz QTLWDNDRVYYINI-AWEZNQCLSA-N 2 1 254.324 2.471 20 0 CEADMP COc1cc(C)c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1OC ZINC000423277218 377202018 /nfs/dbraw/zinc/20/20/18/377202018.db2.gz NXWRCJZBDMKLQU-RISCZKNCSA-N 2 1 278.396 2.400 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn(C(C)C)c1 ZINC000264889917 190141752 /nfs/dbraw/zinc/14/17/52/190141752.db2.gz WWRPHMHAYUUDTF-UHFFFAOYSA-N 2 1 261.373 2.149 20 0 CEADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)C(C)C)CC1 ZINC000292801327 377288337 /nfs/dbraw/zinc/28/83/37/377288337.db2.gz BNPYINCGVIIOMA-HNNXBMFYSA-N 2 1 278.396 2.250 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1CCC12CCOCC2)C1CC1 ZINC000563785210 377291805 /nfs/dbraw/zinc/29/18/05/377291805.db2.gz HNPUOCQJJGDJLB-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1ccc([C@@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000563841330 377303973 /nfs/dbraw/zinc/30/39/73/377303973.db2.gz LPPQWUHNKVQUJK-AEFFLSMTSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccc([C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000563841330 377303977 /nfs/dbraw/zinc/30/39/77/377303977.db2.gz LPPQWUHNKVQUJK-AEFFLSMTSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000563841330 377303985 /nfs/dbraw/zinc/30/39/85/377303985.db2.gz LPPQWUHNKVQUJK-AEFFLSMTSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccc([C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000563841330 377303993 /nfs/dbraw/zinc/30/39/93/377303993.db2.gz LPPQWUHNKVQUJK-AEFFLSMTSA-N 2 1 288.435 2.239 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000564348578 377381122 /nfs/dbraw/zinc/38/11/22/377381122.db2.gz LTMBHORBJCSLDZ-UONOGXRCSA-N 2 1 274.408 2.441 20 0 CEADMP Cc1cnc([C@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000428366169 377491259 /nfs/dbraw/zinc/49/12/59/377491259.db2.gz WVBOATBJFNEUQP-SQWLQELKSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cn1 ZINC000428366169 377491265 /nfs/dbraw/zinc/49/12/65/377491265.db2.gz WVBOATBJFNEUQP-SQWLQELKSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1cnc([C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cn1 ZINC000428366169 377491271 /nfs/dbraw/zinc/49/12/71/377491271.db2.gz WVBOATBJFNEUQP-SQWLQELKSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1cnc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cn1 ZINC000428366169 377491275 /nfs/dbraw/zinc/49/12/75/377491275.db2.gz WVBOATBJFNEUQP-SQWLQELKSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1cnc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000428366169 377491279 /nfs/dbraw/zinc/49/12/79/377491279.db2.gz WVBOATBJFNEUQP-SQWLQELKSA-N 2 1 274.412 2.262 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCO[C@H]2CCCC[C@H]2C)C1 ZINC000430916648 377563481 /nfs/dbraw/zinc/56/34/81/377563481.db2.gz AVYYOPPWMMWELC-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000430922670 377568753 /nfs/dbraw/zinc/56/87/53/377568753.db2.gz BWJIEFULQGUUSN-SNVBAGLBSA-N 2 1 256.752 2.302 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000430922670 377568761 /nfs/dbraw/zinc/56/87/61/377568761.db2.gz BWJIEFULQGUUSN-SNVBAGLBSA-N 2 1 256.752 2.302 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCCc2cccc(OC)c2)C1 ZINC000430960004 377576539 /nfs/dbraw/zinc/57/65/39/377576539.db2.gz GDELJMUSIKCECZ-OAHLLOKOSA-N 2 1 262.397 2.169 20 0 CEADMP CO[C@@H](C)c1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cs1 ZINC000431022816 377589952 /nfs/dbraw/zinc/58/99/52/377589952.db2.gz JRNKMEKNPAQHPP-LBPRGKRZSA-N 2 1 295.452 2.426 20 0 CEADMP C[C@H](CCCC[NH3+])NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000293567855 377632623 /nfs/dbraw/zinc/63/26/23/377632623.db2.gz XUROHOBFCSECBI-HUUCEWRRSA-N 2 1 291.439 2.141 20 0 CEADMP OC1(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000565477025 377664950 /nfs/dbraw/zinc/66/49/50/377664950.db2.gz XAXDZSKSAHTUBO-INIZCTEOSA-N 2 1 274.408 2.013 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000565899972 377705591 /nfs/dbraw/zinc/70/55/91/377705591.db2.gz JTPHYIFPUKISRK-INIZCTEOSA-N 2 1 270.380 2.489 20 0 CEADMP COc1ccc(F)c(C[NH2+]CCn2cc[nH+]c2C)c1 ZINC000293642708 377674499 /nfs/dbraw/zinc/67/44/99/377674499.db2.gz RUGOBQCFVLUVHE-UHFFFAOYSA-N 2 1 263.316 2.129 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000566063661 377715924 /nfs/dbraw/zinc/71/59/24/377715924.db2.gz GNZWBQODKVMIAX-HZPDHXFCSA-N 2 1 268.445 2.390 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000566063661 377715929 /nfs/dbraw/zinc/71/59/29/377715929.db2.gz GNZWBQODKVMIAX-HZPDHXFCSA-N 2 1 268.445 2.390 20 0 CEADMP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000265853666 190212774 /nfs/dbraw/zinc/21/27/74/190212774.db2.gz YYKJJCCHFZIFQV-DOTOQJQBSA-N 2 1 274.408 2.138 20 0 CEADMP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000265853666 190212775 /nfs/dbraw/zinc/21/27/75/190212775.db2.gz YYKJJCCHFZIFQV-DOTOQJQBSA-N 2 1 274.408 2.138 20 0 CEADMP CCC1(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CCOCC1 ZINC000432343881 377749180 /nfs/dbraw/zinc/74/91/80/377749180.db2.gz ALLDFHFKNVYUDP-INIZCTEOSA-N 2 1 298.471 2.284 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H]2CC=CCC2)CCCO1 ZINC000432370840 377755559 /nfs/dbraw/zinc/75/55/59/377755559.db2.gz WBWZXRGFIAKMEV-HZPDHXFCSA-N 2 1 266.429 2.433 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000435877561 377812362 /nfs/dbraw/zinc/81/23/62/377812362.db2.gz SBQMVMDDGIJQPH-OAHLLOKOSA-N 2 1 250.361 2.442 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000437972963 377876740 /nfs/dbraw/zinc/87/67/40/377876740.db2.gz SUPYUHLKIWJNDZ-SQNIBIBYSA-N 2 1 288.435 2.153 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000437972963 377876742 /nfs/dbraw/zinc/87/67/42/377876742.db2.gz SUPYUHLKIWJNDZ-SQNIBIBYSA-N 2 1 288.435 2.153 20 0 CEADMP C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H]1CCOC1 ZINC000438099176 377883884 /nfs/dbraw/zinc/88/38/84/377883884.db2.gz SRDCWBFKNKVINO-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)[C@H]1CCOC1 ZINC000438099177 377884406 /nfs/dbraw/zinc/88/44/06/377884406.db2.gz SRDCWBFKNKVINO-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP COCCOc1ccccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442926110 378018852 /nfs/dbraw/zinc/01/88/52/378018852.db2.gz XXGQZRBKFODYBN-HNNXBMFYSA-N 2 1 292.423 2.273 20 0 CEADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000442873273 378011281 /nfs/dbraw/zinc/01/12/81/378011281.db2.gz KEIAXCUVIQBARI-AWEZNQCLSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCC2(C)C)CC1(C)C ZINC000442872652 378011629 /nfs/dbraw/zinc/01/16/29/378011629.db2.gz JYMHBYJZIWAFLC-CQSZACIVSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)c1noc([C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000443062708 378032014 /nfs/dbraw/zinc/03/20/14/378032014.db2.gz VDJUQKGOYWENIS-NWDGAFQWSA-N 2 1 266.389 2.315 20 0 CEADMP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443073694 378034944 /nfs/dbraw/zinc/03/49/44/378034944.db2.gz PGIDDINTUAIPBT-VXGBXAGGSA-N 2 1 280.416 2.489 20 0 CEADMP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443073694 378034947 /nfs/dbraw/zinc/03/49/47/378034947.db2.gz PGIDDINTUAIPBT-VXGBXAGGSA-N 2 1 280.416 2.489 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC000447569609 378117608 /nfs/dbraw/zinc/11/76/08/378117608.db2.gz CRRZQTXZJBFVNJ-OAGGEKHMSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000447569609 378117619 /nfs/dbraw/zinc/11/76/19/378117619.db2.gz CRRZQTXZJBFVNJ-OAGGEKHMSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000447569609 378117626 /nfs/dbraw/zinc/11/76/26/378117626.db2.gz CRRZQTXZJBFVNJ-OAGGEKHMSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000447569609 378117633 /nfs/dbraw/zinc/11/76/33/378117633.db2.gz CRRZQTXZJBFVNJ-OAGGEKHMSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000447569609 378117638 /nfs/dbraw/zinc/11/76/38/378117638.db2.gz CRRZQTXZJBFVNJ-OAGGEKHMSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000447594543 378122066 /nfs/dbraw/zinc/12/20/66/378122066.db2.gz ZQZHKINFEMZEAF-JHNDHUHGSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000447594543 378122069 /nfs/dbraw/zinc/12/20/69/378122069.db2.gz ZQZHKINFEMZEAF-JHNDHUHGSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000447594543 378122073 /nfs/dbraw/zinc/12/20/73/378122073.db2.gz ZQZHKINFEMZEAF-JHNDHUHGSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000447594543 378122078 /nfs/dbraw/zinc/12/20/78/378122078.db2.gz ZQZHKINFEMZEAF-JHNDHUHGSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000447594543 378122082 /nfs/dbraw/zinc/12/20/82/378122082.db2.gz ZQZHKINFEMZEAF-JHNDHUHGSA-N 2 1 279.472 2.322 20 0 CEADMP Cc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1F ZINC000295318330 378102068 /nfs/dbraw/zinc/10/20/68/378102068.db2.gz YWZUCVBRSXAVJY-MRXNPFEDSA-N 2 1 294.414 2.461 20 0 CEADMP C[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000449322688 378201040 /nfs/dbraw/zinc/20/10/40/378201040.db2.gz YTHGHJOCOJIAHO-FPCVCCKLSA-N 2 1 295.471 2.273 20 0 CEADMP Cc1cccnc1CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000296254785 378467204 /nfs/dbraw/zinc/46/72/04/378467204.db2.gz DAYXFNSLBPJEST-GJZGRUSLSA-N 2 1 261.413 2.395 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C)[C@H](C)[C@H]1C ZINC000450651853 378520769 /nfs/dbraw/zinc/52/07/69/378520769.db2.gz MCQIVBZMXARTJA-OAGGEKHMSA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000450651853 378520773 /nfs/dbraw/zinc/52/07/73/378520773.db2.gz MCQIVBZMXARTJA-OAGGEKHMSA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000450651853 378520777 /nfs/dbraw/zinc/52/07/77/378520777.db2.gz MCQIVBZMXARTJA-OAGGEKHMSA-N 2 1 267.461 2.274 20 0 CEADMP Cc1cccnc1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000296323861 378491320 /nfs/dbraw/zinc/49/13/20/378491320.db2.gz GYTMOZVMCOUOSN-IIAWOOMASA-N 2 1 261.413 2.251 20 0 CEADMP C[C@@H]1CN(c2cc[nH+]c3ccccc32)C[C@H](C)[N@@H+]1CCO ZINC000450797360 378584675 /nfs/dbraw/zinc/58/46/75/378584675.db2.gz SFVMBIMXNXXWEI-OKILXGFUSA-N 2 1 285.391 2.126 20 0 CEADMP Cc1ccc2[nH+]ccc(N3CC[N@H+](CCO)C[C@H]3C)c2c1 ZINC000450951944 378658696 /nfs/dbraw/zinc/65/86/96/378658696.db2.gz GWAMJNXJZBNVPN-CQSZACIVSA-N 2 1 285.391 2.046 20 0 CEADMP CCc1ccc2[nH+]ccc(N3CC[N@@H+](CCO)C[C@@H]3C)c2c1 ZINC000450954236 378659984 /nfs/dbraw/zinc/65/99/84/378659984.db2.gz NAQATIAGQKWXJC-AWEZNQCLSA-N 2 1 299.418 2.300 20 0 CEADMP C[C@@H](O)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000450982893 378670725 /nfs/dbraw/zinc/67/07/25/378670725.db2.gz NXWNWQLHAAJSNY-AEFFLSMTSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H](O)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000450982893 378670730 /nfs/dbraw/zinc/67/07/30/378670730.db2.gz NXWNWQLHAAJSNY-AEFFLSMTSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H](O)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000450982893 378670734 /nfs/dbraw/zinc/67/07/34/378670734.db2.gz NXWNWQLHAAJSNY-AEFFLSMTSA-N 2 1 288.435 2.355 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCCC1 ZINC000453215397 378831262 /nfs/dbraw/zinc/83/12/62/378831262.db2.gz CJANYQCPUNFCJQ-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccnc3)C[C@H]21 ZINC000346846853 218033740 /nfs/dbraw/zinc/03/37/40/218033740.db2.gz CMAHSUQXDBDQNE-FVQBIDKESA-N 2 1 297.406 2.031 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cnc([C@@H]4CCCO4)s3)C[C@@H]12 ZINC000346818993 218022008 /nfs/dbraw/zinc/02/20/08/218022008.db2.gz DKPDDWDSRZSTTO-ZRJCITRHSA-N 2 1 293.436 2.164 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc([C@@H]4CCCO4)s3)C[C@@H]12 ZINC000346818993 218022010 /nfs/dbraw/zinc/02/20/10/218022010.db2.gz DKPDDWDSRZSTTO-ZRJCITRHSA-N 2 1 293.436 2.164 20 0 CEADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346824270 218024617 /nfs/dbraw/zinc/02/46/17/218024617.db2.gz OSIAJXRUHAAEMM-ARFHVFGLSA-N 2 1 295.471 2.003 20 0 CEADMP COc1ccsc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346823059 218025159 /nfs/dbraw/zinc/02/51/59/218025159.db2.gz KCWMDUAOVQYRKY-TUAOUCFPSA-N 2 1 266.410 2.316 20 0 CEADMP CC[N@@H+]1C[C@@H](C)[C@@H](N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000453257316 378843819 /nfs/dbraw/zinc/84/38/19/378843819.db2.gz NXOAICZFFALVHO-IKGGRYGDSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@@H](N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000453257316 378843822 /nfs/dbraw/zinc/84/38/22/378843822.db2.gz NXOAICZFFALVHO-IKGGRYGDSA-N 2 1 281.488 2.427 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1C ZINC000346864815 218041130 /nfs/dbraw/zinc/04/11/30/218041130.db2.gz ZBDLJWJEEXMANG-XIRDDKMYSA-N 2 1 290.455 2.469 20 0 CEADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2COC[C@H]2O)CC1 ZINC000453373233 378877544 /nfs/dbraw/zinc/87/75/44/378877544.db2.gz YUIYHVSBZWYXRZ-HUUCEWRRSA-N 2 1 298.471 2.015 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)o1 ZINC000453379903 378879308 /nfs/dbraw/zinc/87/93/08/378879308.db2.gz KRLRNUNZWUNNSB-MCIONIFRSA-N 2 1 263.385 2.199 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)o1 ZINC000453379903 378879314 /nfs/dbraw/zinc/87/93/14/378879314.db2.gz KRLRNUNZWUNNSB-MCIONIFRSA-N 2 1 263.385 2.199 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000347010344 218091764 /nfs/dbraw/zinc/09/17/64/218091764.db2.gz IDILNMZBDSERKD-CYBMUJFWSA-N 2 1 283.460 2.144 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000346968819 218072371 /nfs/dbraw/zinc/07/23/71/218072371.db2.gz FBCCCRMJRSSFTF-CYBMUJFWSA-N 2 1 259.397 2.038 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000347033888 218099045 /nfs/dbraw/zinc/09/90/45/218099045.db2.gz BHXYTEGOKVCLAT-ZDUSSCGKSA-N 2 1 270.380 2.166 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC2CCC2)C[C@H]1C ZINC000347053954 218106517 /nfs/dbraw/zinc/10/65/17/218106517.db2.gz LNQWPSJMAFEUMZ-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC2CCC2)C[C@H]1C ZINC000347053954 218106518 /nfs/dbraw/zinc/10/65/18/218106518.db2.gz LNQWPSJMAFEUMZ-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC2CCC2)C[C@H]1C ZINC000347053954 218106519 /nfs/dbraw/zinc/10/65/19/218106519.db2.gz LNQWPSJMAFEUMZ-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP COc1ccccc1/C=C\C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347058355 218107338 /nfs/dbraw/zinc/10/73/38/218107338.db2.gz WJTNPDSELQIPQZ-FRGQNTEPSA-N 2 1 260.381 2.378 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347058355 218107341 /nfs/dbraw/zinc/10/73/41/218107341.db2.gz WJTNPDSELQIPQZ-FRGQNTEPSA-N 2 1 260.381 2.378 20 0 CEADMP Cn1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(-c2ccccc2)n1 ZINC000347064266 218109219 /nfs/dbraw/zinc/10/92/19/218109219.db2.gz JPBWWHOUJOFIER-CQSZACIVSA-N 2 1 284.407 2.258 20 0 CEADMP CC(C)Cn1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000347109229 218125205 /nfs/dbraw/zinc/12/52/05/218125205.db2.gz MUVBECVGRLJKHA-DZGCQCFKSA-N 2 1 264.417 2.098 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000347109229 218125207 /nfs/dbraw/zinc/12/52/07/218125207.db2.gz MUVBECVGRLJKHA-DZGCQCFKSA-N 2 1 264.417 2.098 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(OCCOC)c2)C1 ZINC000347175466 218145043 /nfs/dbraw/zinc/14/50/43/218145043.db2.gz POAMAROPOMEDIH-INIZCTEOSA-N 2 1 292.423 2.143 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(OCCOC)c2)C1 ZINC000347175466 218145045 /nfs/dbraw/zinc/14/50/45/218145045.db2.gz POAMAROPOMEDIH-INIZCTEOSA-N 2 1 292.423 2.143 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cn1 ZINC000347311241 218187126 /nfs/dbraw/zinc/18/71/26/218187126.db2.gz LZTNGFOZHHDDSS-STQMWFEESA-N 2 1 252.406 2.455 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000180016402 542261129 /nfs/dbraw/zinc/26/11/29/542261129.db2.gz HYPRBTNKVOWQKX-GFCCVEGCSA-N 2 1 250.390 2.245 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1CN[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000513076380 379125048 /nfs/dbraw/zinc/12/50/48/379125048.db2.gz OTLGHPIFUPKDSC-DZKIICNBSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000513076380 379125053 /nfs/dbraw/zinc/12/50/53/379125053.db2.gz OTLGHPIFUPKDSC-DZKIICNBSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000513076380 379125061 /nfs/dbraw/zinc/12/50/61/379125061.db2.gz OTLGHPIFUPKDSC-DZKIICNBSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000513076380 379125066 /nfs/dbraw/zinc/12/50/66/379125066.db2.gz OTLGHPIFUPKDSC-DZKIICNBSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccnc1 ZINC000278759875 194141181 /nfs/dbraw/zinc/14/11/81/194141181.db2.gz XJJKZATYYGIZKQ-CABCVRRESA-N 2 1 277.412 2.233 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccnc1 ZINC000278759875 194141183 /nfs/dbraw/zinc/14/11/83/194141183.db2.gz XJJKZATYYGIZKQ-CABCVRRESA-N 2 1 277.412 2.233 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)CCCO ZINC000300415424 379168954 /nfs/dbraw/zinc/16/89/54/379168954.db2.gz VUOZQBHPLIFLRR-HZSPNIEDSA-N 2 1 256.434 2.103 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000347518496 218261466 /nfs/dbraw/zinc/26/14/66/218261466.db2.gz IGANCEGQVAJLIM-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000515668991 379236154 /nfs/dbraw/zinc/23/61/54/379236154.db2.gz SUJHVTRQBUXCBP-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000515668991 379236164 /nfs/dbraw/zinc/23/61/64/379236164.db2.gz SUJHVTRQBUXCBP-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1nccs1 ZINC000278943169 194223625 /nfs/dbraw/zinc/22/36/25/194223625.db2.gz KJTYVDQPPBHVAO-WDEREUQCSA-N 2 1 262.382 2.253 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1nccs1 ZINC000278943161 194223722 /nfs/dbraw/zinc/22/37/22/194223722.db2.gz KJTYVDQPPBHVAO-GHMZBOCLSA-N 2 1 262.382 2.253 20 0 CEADMP Cc1cc(N2CC[N@@H+](CCO)C(C)(C)C2)c2ccccc2[nH+]1 ZINC000302541930 379393998 /nfs/dbraw/zinc/39/39/98/379393998.db2.gz OADZVGPVESLRLP-UHFFFAOYSA-N 2 1 299.418 2.436 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cncc(F)c1 ZINC000278930143 194217880 /nfs/dbraw/zinc/21/78/80/194217880.db2.gz IZGZZUSAZMNXRR-NWDGAFQWSA-N 2 1 274.343 2.330 20 0 CEADMP CC(C)(C)CC[N@H+]1CCC[C@H]1CN1CCC[C@H]1CO ZINC000304870568 379598362 /nfs/dbraw/zinc/59/83/62/379598362.db2.gz HEUVCVCRPBSNCX-GJZGRUSLSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000305107963 379641060 /nfs/dbraw/zinc/64/10/60/379641060.db2.gz BVTPISIVTXHMSQ-KKUMJFAQSA-N 2 1 256.434 2.103 20 0 CEADMP CC[C@@H](C(=O)NCC[N@H+]1CCCC1(C)C)[NH+](CC)CC ZINC000457053015 379643374 /nfs/dbraw/zinc/64/33/74/379643374.db2.gz JJJLNZAOPUBYGN-AWEZNQCLSA-N 2 1 283.460 2.097 20 0 CEADMP CCc1ccc([C@@H](CC)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000305125958 379649938 /nfs/dbraw/zinc/64/99/38/379649938.db2.gz LDTZJACRACAHJW-JKSUJKDBSA-N 2 1 264.413 2.212 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC(C)(C)CO ZINC000305177383 379673402 /nfs/dbraw/zinc/67/34/02/379673402.db2.gz VNTNUCNJGLZNEP-MGPQQGTHSA-N 2 1 256.434 2.103 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCC(=O)CC2)C1 ZINC000347729023 218336559 /nfs/dbraw/zinc/33/65/59/218336559.db2.gz DQYICDHTKKGTIS-HNNXBMFYSA-N 2 1 266.429 2.409 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2CCC(=O)CC2)C1 ZINC000347729023 218336561 /nfs/dbraw/zinc/33/65/61/218336561.db2.gz DQYICDHTKKGTIS-HNNXBMFYSA-N 2 1 266.429 2.409 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2CCC(=O)CC2)C1 ZINC000347729023 218336564 /nfs/dbraw/zinc/33/65/64/218336564.db2.gz DQYICDHTKKGTIS-HNNXBMFYSA-N 2 1 266.429 2.409 20 0 CEADMP C[NH+](C)CCCC1CC[NH+](Cc2cnns2)CC1 ZINC000347761238 218347659 /nfs/dbraw/zinc/34/76/59/218347659.db2.gz VVTZLLYCVVWINU-UHFFFAOYSA-N 2 1 268.430 2.092 20 0 CEADMP COc1cccnc1NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000527926424 379849436 /nfs/dbraw/zinc/84/94/36/379849436.db2.gz MMGBWGHMKYLQJN-ZDUSSCGKSA-N 2 1 263.385 2.480 20 0 CEADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000527983632 379865216 /nfs/dbraw/zinc/86/52/16/379865216.db2.gz BBGMQWUMMALUSP-BZUAXINKSA-N 2 1 259.397 2.352 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000347779625 218354765 /nfs/dbraw/zinc/35/47/65/218354765.db2.gz FOLOFBUYKAGKSX-LSDHHAIUSA-N 2 1 279.428 2.311 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000347779625 218354768 /nfs/dbraw/zinc/35/47/68/218354768.db2.gz FOLOFBUYKAGKSX-LSDHHAIUSA-N 2 1 279.428 2.311 20 0 CEADMP C[C@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000528435195 379969273 /nfs/dbraw/zinc/96/92/73/379969273.db2.gz ZNKMBWVKTGQOHQ-RDJZCZTQSA-N 2 1 293.499 2.380 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458225834 380051629 /nfs/dbraw/zinc/05/16/29/380051629.db2.gz SFPQHSVIDGJMQD-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000488515440 380108358 /nfs/dbraw/zinc/10/83/58/380108358.db2.gz KYBBWWNSSJDJDC-KBAYOESNSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[C@@H]1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000488515440 380108361 /nfs/dbraw/zinc/10/83/61/380108361.db2.gz KYBBWWNSSJDJDC-KBAYOESNSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000488515440 380108365 /nfs/dbraw/zinc/10/83/65/380108365.db2.gz KYBBWWNSSJDJDC-KBAYOESNSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000488515440 380108367 /nfs/dbraw/zinc/10/83/67/380108367.db2.gz KYBBWWNSSJDJDC-KBAYOESNSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000488515440 380108372 /nfs/dbraw/zinc/10/83/72/380108372.db2.gz KYBBWWNSSJDJDC-KBAYOESNSA-N 2 1 288.435 2.211 20 0 CEADMP CC(C)[C@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC[N@H+]1C ZINC000489342021 380178267 /nfs/dbraw/zinc/17/82/67/380178267.db2.gz VESGPDVWOOLXAP-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[N@@H+]1CC[C@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000268284447 190392394 /nfs/dbraw/zinc/39/23/94/190392394.db2.gz XGEQKTLNXDSSCS-GFCCVEGCSA-N 2 1 273.384 2.348 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000268284447 190392395 /nfs/dbraw/zinc/39/23/95/190392395.db2.gz XGEQKTLNXDSSCS-GFCCVEGCSA-N 2 1 273.384 2.348 20 0 CEADMP C[C@@H](CC[NH+](C)C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548389073 380508408 /nfs/dbraw/zinc/50/84/08/380508408.db2.gz CJTYGZFZKCWRBH-AWEZNQCLSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H]1C[C@@H](C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000334490811 380481054 /nfs/dbraw/zinc/48/10/54/380481054.db2.gz UKWSCUANYMJFAV-STQMWFEESA-N 2 1 295.471 2.142 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1nn(C)c2ccccc12 ZINC000359989477 220277021 /nfs/dbraw/zinc/27/70/21/220277021.db2.gz YIVZFQHQVNDMFQ-HIFRSBDPSA-N 2 1 286.423 2.046 20 0 CEADMP C[C@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C[C@@H]1C[NH3+] ZINC000580880698 322351286 /nfs/dbraw/zinc/35/12/86/322351286.db2.gz CHNMZFMWTDYQEN-JQWIXIFHSA-N 2 1 265.426 2.437 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C[C@@H]1C[NH3+] ZINC000580880698 322351290 /nfs/dbraw/zinc/35/12/90/322351290.db2.gz CHNMZFMWTDYQEN-JQWIXIFHSA-N 2 1 265.426 2.437 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000334842731 207171667 /nfs/dbraw/zinc/17/16/67/207171667.db2.gz NSQFPTBEOQQEGL-HNNXBMFYSA-N 2 1 285.391 2.418 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](C/C=C/c3ccncc3)C2)C1 ZINC000334916234 207285791 /nfs/dbraw/zinc/28/57/91/207285791.db2.gz REGRITWTHWJWEA-KZSQQDEKSA-N 2 1 257.381 2.122 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](C/C=C/c3ccncc3)C2)C1 ZINC000334916234 207285795 /nfs/dbraw/zinc/28/57/95/207285795.db2.gz REGRITWTHWJWEA-KZSQQDEKSA-N 2 1 257.381 2.122 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](C/C=C/c3ccncc3)C2)C1 ZINC000334916234 207285800 /nfs/dbraw/zinc/28/58/00/207285800.db2.gz REGRITWTHWJWEA-KZSQQDEKSA-N 2 1 257.381 2.122 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](C/C=C/c3ccncc3)C2)C1 ZINC000334916234 207285803 /nfs/dbraw/zinc/28/58/03/207285803.db2.gz REGRITWTHWJWEA-KZSQQDEKSA-N 2 1 257.381 2.122 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc4c[nH]nc43)C2)C1 ZINC000334915520 207286164 /nfs/dbraw/zinc/28/61/64/207286164.db2.gz QHVZNUVWSRCFOG-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc4c[nH]nc43)C2)C1 ZINC000334915520 207286168 /nfs/dbraw/zinc/28/61/68/207286168.db2.gz QHVZNUVWSRCFOG-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc4c[nH]nc43)C2)C1 ZINC000334915520 207286171 /nfs/dbraw/zinc/28/61/71/207286171.db2.gz QHVZNUVWSRCFOG-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP c1nc(C2CC2)sc1C[NH2+]CCC[NH2+]C1CC1 ZINC000582229181 322456276 /nfs/dbraw/zinc/45/62/76/322456276.db2.gz OOCWIWCILAGZHA-UHFFFAOYSA-N 2 1 251.399 2.252 20 0 CEADMP Clc1ccc2nc(C[NH2+][C@H]3CCC[NH2+]CC3)cn2c1 ZINC000335251633 208030589 /nfs/dbraw/zinc/03/05/89/208030589.db2.gz NMLLEVALJXUUCA-LBPRGKRZSA-N 2 1 278.787 2.219 20 0 CEADMP COc1ccc(C)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335269186 208067449 /nfs/dbraw/zinc/06/74/49/208067449.db2.gz LKAXFYSSEXLEQJ-GASCZTMLSA-N 2 1 274.408 2.435 20 0 CEADMP Cc1nc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)oc1C ZINC000335280554 208092200 /nfs/dbraw/zinc/09/22/00/208092200.db2.gz VRTVHVRKTODFEL-LLVKDONJSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)n2c1 ZINC000335349310 208248821 /nfs/dbraw/zinc/24/88/21/208248821.db2.gz QXBADQUACVGUDP-CZUORRHYSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1ccc2ncc(C[N@@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)n2c1 ZINC000335349310 208248824 /nfs/dbraw/zinc/24/88/24/208248824.db2.gz QXBADQUACVGUDP-CZUORRHYSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289351961 197307606 /nfs/dbraw/zinc/30/76/06/197307606.db2.gz LEADHTSVAPBKJO-XJKSGUPXSA-N 2 1 262.397 2.101 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000289351961 197307607 /nfs/dbraw/zinc/30/76/07/197307607.db2.gz LEADHTSVAPBKJO-XJKSGUPXSA-N 2 1 262.397 2.101 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289358549 197311360 /nfs/dbraw/zinc/31/13/60/197311360.db2.gz MMGQBWXRWAMWSF-HZPDHXFCSA-N 2 1 262.397 2.182 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289358549 197311361 /nfs/dbraw/zinc/31/13/61/197311361.db2.gz MMGQBWXRWAMWSF-HZPDHXFCSA-N 2 1 262.397 2.182 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCSC1 ZINC000288479296 197090251 /nfs/dbraw/zinc/09/02/51/197090251.db2.gz PRZVVNSXIGAJER-LBPRGKRZSA-N 2 1 265.426 2.380 20 0 CEADMP COc1cc(C)[nH+]c(CN(C)CCC[NH+]2CCCC2)c1 ZINC000281411710 195231287 /nfs/dbraw/zinc/23/12/87/195231287.db2.gz YHKCYZSWKNZBKH-UHFFFAOYSA-N 2 1 277.412 2.316 20 0 CEADMP C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000497254010 262127222 /nfs/dbraw/zinc/12/72/22/262127222.db2.gz QYOYOMMXWUMHHI-OLZOCXBDSA-N 2 1 299.459 2.206 20 0 CEADMP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000497254010 262127225 /nfs/dbraw/zinc/12/72/25/262127225.db2.gz QYOYOMMXWUMHHI-OLZOCXBDSA-N 2 1 299.459 2.206 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@@H]([NH3+])CC(C)C)[C@@H](C)C1 ZINC000414699103 285396195 /nfs/dbraw/zinc/39/61/95/285396195.db2.gz JGTDBGQVIDYJSE-KKUMJFAQSA-N 2 1 255.450 2.022 20 0 CEADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1O ZINC000237190932 131011867 /nfs/dbraw/zinc/01/18/67/131011867.db2.gz STTJAKSLWMWBNS-LBPRGKRZSA-N 2 1 289.379 2.332 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000245851096 394505868 /nfs/dbraw/zinc/50/58/68/394505868.db2.gz GKFSSXKLQIWYEA-WCVJEAGWSA-N 2 1 296.455 2.381 20 0 CEADMP C[C@@H](O)C[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000305659285 394508523 /nfs/dbraw/zinc/50/85/23/394508523.db2.gz XJUJPJYKTFJXSW-HUUCEWRRSA-N 2 1 268.445 2.486 20 0 CEADMP C[C@@H](O)C[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000305659285 394508525 /nfs/dbraw/zinc/50/85/25/394508525.db2.gz XJUJPJYKTFJXSW-HUUCEWRRSA-N 2 1 268.445 2.486 20 0 CEADMP C[C@@H](O)C[NH+](CC[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000305659285 394508527 /nfs/dbraw/zinc/50/85/27/394508527.db2.gz XJUJPJYKTFJXSW-HUUCEWRRSA-N 2 1 268.445 2.486 20 0 CEADMP C1CC1[N@@H+]1CC[C@@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250942162 394565861 /nfs/dbraw/zinc/56/58/61/394565861.db2.gz ZQSSSMCPOCBRPO-XLNGHYISSA-N 2 1 277.456 2.124 20 0 CEADMP C1CC1[N@H+]1CC[C@@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250942162 394565866 /nfs/dbraw/zinc/56/58/66/394565866.db2.gz ZQSSSMCPOCBRPO-XLNGHYISSA-N 2 1 277.456 2.124 20 0 CEADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148905 394588233 /nfs/dbraw/zinc/58/82/33/394588233.db2.gz SXWVXZDQGVSFMP-CQSZACIVSA-N 2 1 287.407 2.331 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3C[C@H]3C)CC2)CC1 ZINC000421378514 394517361 /nfs/dbraw/zinc/51/73/61/394517361.db2.gz SXERBPDWAPDSOB-HZPDHXFCSA-N 2 1 279.472 2.134 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000246970551 394524103 /nfs/dbraw/zinc/52/41/03/394524103.db2.gz IIANMMOOYDKARV-YHUYYLMFSA-N 2 1 270.461 2.349 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C12CCC2 ZINC000308367781 394526637 /nfs/dbraw/zinc/52/66/37/394526637.db2.gz MJWDKAHPOANBMT-YIYPIFLZSA-N 2 1 252.402 2.016 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C12CCC2 ZINC000308367781 394526639 /nfs/dbraw/zinc/52/66/39/394526639.db2.gz MJWDKAHPOANBMT-YIYPIFLZSA-N 2 1 252.402 2.016 20 0 CEADMP COc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311996876 394539244 /nfs/dbraw/zinc/53/92/44/394539244.db2.gz GGPRTJGDOJXODM-OKILXGFUSA-N 2 1 260.381 2.127 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000090542756 394654716 /nfs/dbraw/zinc/65/47/16/394654716.db2.gz GEBRWVNBWPAXJM-DGXTUMSLSA-N 2 1 298.496 2.359 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000261529110 394601967 /nfs/dbraw/zinc/60/19/67/394601967.db2.gz PEYGLBNTGPBYKM-BQBZGAKWSA-N 2 1 263.204 2.336 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000261642426 394604904 /nfs/dbraw/zinc/60/49/04/394604904.db2.gz AKGSXJNTXJQKGY-UHFFFAOYSA-N 2 1 274.408 2.095 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000356798372 394617618 /nfs/dbraw/zinc/61/76/18/394617618.db2.gz ZJUPTICRUXKCIY-QPSCCSFWSA-N 2 1 283.460 2.093 20 0 CEADMP CC(C)c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000076521575 394618432 /nfs/dbraw/zinc/61/84/32/394618432.db2.gz UQACMQTUGOFMGS-SFHVURJKSA-N 2 1 287.451 2.290 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC2)[C@H](C)C1 ZINC000356879461 394641222 /nfs/dbraw/zinc/64/12/22/394641222.db2.gz TYAUURGRLOLSNC-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000356896854 394645336 /nfs/dbraw/zinc/64/53/36/394645336.db2.gz ZEQBPDAISONACX-HOTGVXAUSA-N 2 1 297.487 2.440 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000088399695 394646086 /nfs/dbraw/zinc/64/60/86/394646086.db2.gz BUYJIFMKRPCWQM-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP CC(C)N(C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C(C)C ZINC000265536540 394650025 /nfs/dbraw/zinc/65/00/25/394650025.db2.gz WFKLWURFWHNCJM-UHFFFAOYSA-N 2 1 292.427 2.235 20 0 CEADMP C[C@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422712504 394734243 /nfs/dbraw/zinc/73/42/43/394734243.db2.gz OLBMKTPUYOWRKC-BARDWOONSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@@H](NC[C@H](C)[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000422713899 394735179 /nfs/dbraw/zinc/73/51/79/394735179.db2.gz KMZBCDPEUMIZQE-HDMKZQKVSA-N 2 1 287.451 2.163 20 0 CEADMP CN(CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)CC(F)(F)F ZINC000422718888 394737959 /nfs/dbraw/zinc/73/79/59/394737959.db2.gz XZKZMKJWUNOJFI-CHWSQXEVSA-N 2 1 287.329 2.215 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCOC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000414733102 394749360 /nfs/dbraw/zinc/74/93/60/394749360.db2.gz CMRDEUIHCIIGKG-BFYDXBDKSA-N 2 1 274.408 2.448 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]2(CCCOC2)C1 ZINC000334708995 394706049 /nfs/dbraw/zinc/70/60/49/394706049.db2.gz RJDJBGAVCYTHNP-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000334708995 394706051 /nfs/dbraw/zinc/70/60/51/394706051.db2.gz RJDJBGAVCYTHNP-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000334708995 394706053 /nfs/dbraw/zinc/70/60/53/394706053.db2.gz RJDJBGAVCYTHNP-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269017032 394707849 /nfs/dbraw/zinc/70/78/49/394707849.db2.gz OOKZZUVVWGXRQL-BFYDXBDKSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269017032 394707851 /nfs/dbraw/zinc/70/78/51/394707851.db2.gz OOKZZUVVWGXRQL-BFYDXBDKSA-N 2 1 276.424 2.400 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422734378 394746994 /nfs/dbraw/zinc/74/69/94/394746994.db2.gz CRMQKGGWCGNRJC-RBSFLKMASA-N 2 1 255.450 2.356 20 0 CEADMP C[C@@H]1CCc2nc(C[NH2+]C(C)(C)CC[NH3+])sc2C1 ZINC000422562710 394711485 /nfs/dbraw/zinc/71/14/85/394711485.db2.gz QTBPJRNBHJYKEV-SNVBAGLBSA-N 2 1 267.442 2.485 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc3c(c2)ncn3C)C[C@@H]1C[NH3+] ZINC000422561626 394711711 /nfs/dbraw/zinc/71/17/11/394711711.db2.gz MLPZFWQSLKEANT-NFAWXSAZSA-N 2 1 286.423 2.379 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000414132869 394712160 /nfs/dbraw/zinc/71/21/60/394712160.db2.gz BCUSDSNLVRFEEN-QKGCVVFFSA-N 2 1 254.418 2.261 20 0 CEADMP CC(C)[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000358224638 394712685 /nfs/dbraw/zinc/71/26/85/394712685.db2.gz CAYLLFPCTQOMIJ-HOTGVXAUSA-N 2 1 298.377 2.318 20 0 CEADMP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000358224638 394712692 /nfs/dbraw/zinc/71/26/92/394712692.db2.gz CAYLLFPCTQOMIJ-HOTGVXAUSA-N 2 1 298.377 2.318 20 0 CEADMP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000358224638 394712696 /nfs/dbraw/zinc/71/26/96/394712696.db2.gz CAYLLFPCTQOMIJ-HOTGVXAUSA-N 2 1 298.377 2.318 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000414135493 394713120 /nfs/dbraw/zinc/71/31/20/394713120.db2.gz CKGBAGAVJDRLKN-OHRKKDJYSA-N 2 1 289.423 2.236 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422735242 394747205 /nfs/dbraw/zinc/74/72/05/394747205.db2.gz DQJSXBZGXLTNNP-OWCLPIDISA-N 2 1 267.461 2.227 20 0 CEADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1nccn1C ZINC000414168830 394721688 /nfs/dbraw/zinc/72/16/88/394721688.db2.gz ARYUAZZGPXWUGU-ZIAGYGMSSA-N 2 1 264.417 2.193 20 0 CEADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422686434 394723514 /nfs/dbraw/zinc/72/35/14/394723514.db2.gz ADSGRVSDROWILT-ZJUUUORDSA-N 2 1 252.333 2.093 20 0 CEADMP CC[NH+](CC)Cc1cccc(CN[C@H](C)C2C[NH2+]C2)c1 ZINC000422692625 394724616 /nfs/dbraw/zinc/72/46/16/394724616.db2.gz KMSRRZPFOPPIDV-CQSZACIVSA-N 2 1 275.440 2.226 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H](O)C(F)F)CC1 ZINC000358646736 394726110 /nfs/dbraw/zinc/72/61/10/394726110.db2.gz DKXCMWCULQOCRC-XBFCOCLRSA-N 2 1 290.398 2.245 20 0 CEADMP C1C[C@]2(CS1)CCC[N@H+]([C@H]1CCC[NH2+]CC1)C2 ZINC000335009080 394726113 /nfs/dbraw/zinc/72/61/13/394726113.db2.gz JYGNMQKMJQOAHM-UONOGXRCSA-N 2 1 254.443 2.348 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000414689642 394748325 /nfs/dbraw/zinc/74/83/25/394748325.db2.gz LJTUTHXOGSWOPM-OAHLLOKOSA-N 3 1 255.450 2.024 20 0 CEADMP c1cn2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)nc2s1 ZINC000422702595 394727535 /nfs/dbraw/zinc/72/75/35/394727535.db2.gz LEJLMCXIQZBTBN-HZSPNIEDSA-N 2 1 290.436 2.406 20 0 CEADMP C[C@@H](NCC[N@@H+](C)C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422704173 394728955 /nfs/dbraw/zinc/72/89/55/394728955.db2.gz OSWUWTWDJDSBLX-ZBFHGGJFSA-N 2 1 267.461 2.371 20 0 CEADMP CC[NH2+]CC[NH2+][C@H](CC)Cc1ccc(OC)c(OC)c1 ZINC000414820261 394751753 /nfs/dbraw/zinc/75/17/53/394751753.db2.gz BTSOEAVUQPFMEX-CQSZACIVSA-N 2 1 280.412 2.224 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000422747679 394756443 /nfs/dbraw/zinc/75/64/43/394756443.db2.gz ZIENGEUVKUDTFJ-CYBMUJFWSA-N 3 1 276.428 2.267 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422747616 394756731 /nfs/dbraw/zinc/75/67/31/394756731.db2.gz ZBWPVFHYYKHDNH-BZUAXINKSA-N 2 1 267.461 2.358 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(OC)c1OC(C)C ZINC000414829050 394757101 /nfs/dbraw/zinc/75/71/01/394757101.db2.gz AHRDVBOVCLZSPL-CYBMUJFWSA-N 2 1 280.412 2.428 20 0 CEADMP C[NH2+]CC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414831483 394758784 /nfs/dbraw/zinc/75/87/84/394758784.db2.gz PRWXGMVZLCVBAS-SNVBAGLBSA-N 2 1 260.303 2.445 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)C1CCCCC1 ZINC000414833436 394760298 /nfs/dbraw/zinc/76/02/98/394760298.db2.gz FRLZALXWDHFSEC-CQSZACIVSA-N 2 1 289.414 2.213 20 0 CEADMP COc1cc(C[NH2+][C@H](C[NH3+])CC(C)C)cc(OC)c1 ZINC000414832111 394760464 /nfs/dbraw/zinc/76/04/64/394760464.db2.gz DHDZPVAZWNSTIV-ZDUSSCGKSA-N 2 1 266.385 2.167 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000414852759 394771729 /nfs/dbraw/zinc/77/17/29/394771729.db2.gz RNQQCROPQMMYRB-LBPRGKRZSA-N 2 1 278.425 2.397 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000414853819 394771779 /nfs/dbraw/zinc/77/17/79/394771779.db2.gz TYNWVQUMGVWMGP-INIZCTEOSA-N 2 1 290.407 2.470 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000414853821 394771798 /nfs/dbraw/zinc/77/17/98/394771798.db2.gz TYNWVQUMGVWMGP-MRXNPFEDSA-N 2 1 290.407 2.470 20 0 CEADMP C[C@@H](NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422771254 394773158 /nfs/dbraw/zinc/77/31/58/394773158.db2.gz XHEFWJPNZMQPQJ-KFWWJZLASA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOC1CCCC1 ZINC000422771935 394773725 /nfs/dbraw/zinc/77/37/25/394773725.db2.gz WKKILRKRESSHDY-PBHICJAKSA-N 2 1 276.424 2.494 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000422773274 394774466 /nfs/dbraw/zinc/77/44/66/394774466.db2.gz ZQFRHSHNUXSCPC-QLFBSQMISA-N 3 1 255.450 2.214 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000422773274 394774470 /nfs/dbraw/zinc/77/44/70/394774470.db2.gz ZQFRHSHNUXSCPC-QLFBSQMISA-N 3 1 255.450 2.214 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000422778329 394777579 /nfs/dbraw/zinc/77/75/79/394777579.db2.gz DJXPTNTVUWIYSS-UKRRQHHQSA-N 2 1 254.418 2.313 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000361327648 394823654 /nfs/dbraw/zinc/82/36/54/394823654.db2.gz ZPAHNARMAYGBLA-GJZGRUSLSA-N 2 1 256.434 2.200 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)CCC1 ZINC000414875280 394783319 /nfs/dbraw/zinc/78/33/19/394783319.db2.gz JRRDRBLGTNBJSA-UHFFFAOYSA-N 2 1 274.343 2.187 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000360003035 394783582 /nfs/dbraw/zinc/78/35/82/394783582.db2.gz CEEWTZVFCQLJAO-BPLDGKMQSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000360003035 394783583 /nfs/dbraw/zinc/78/35/83/394783583.db2.gz CEEWTZVFCQLJAO-BPLDGKMQSA-N 2 1 254.418 2.251 20 0 CEADMP CSc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414879813 394785230 /nfs/dbraw/zinc/78/52/30/394785230.db2.gz JHHKPZBTXRTWCA-DGCLKSJQSA-N 2 1 250.411 2.291 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])N1CCC(C)CC1 ZINC000422790018 394787710 /nfs/dbraw/zinc/78/77/10/394787710.db2.gz UMOYLSJZYLJBJW-BZUAXINKSA-N 2 1 267.461 2.214 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc(Cl)c1OC ZINC000414955630 394824363 /nfs/dbraw/zinc/82/43/63/394824363.db2.gz MINMEZNYQZGUOA-MFKMUULPSA-N 2 1 298.814 2.445 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000422792278 394790619 /nfs/dbraw/zinc/79/06/19/394790619.db2.gz WBFPXOZMLOOXLB-NVXWUHKLSA-N 2 1 275.440 2.096 20 0 CEADMP CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422801073 394796006 /nfs/dbraw/zinc/79/60/06/394796006.db2.gz BCHMUGRIXKIUEK-CHWSQXEVSA-N 2 1 265.401 2.189 20 0 CEADMP C(C1CCCC1)[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422799666 394796067 /nfs/dbraw/zinc/79/60/67/394796067.db2.gz XYEQWAHEGBZQAC-TVXGVJEUSA-N 2 1 277.456 2.124 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422801210 394796985 /nfs/dbraw/zinc/79/69/85/394796985.db2.gz FAWAUPYYJMYMLP-HOTGVXAUSA-N 2 1 275.396 2.395 20 0 CEADMP c1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)c2c(c1)OCCCO2 ZINC000414904076 394797740 /nfs/dbraw/zinc/79/77/40/394797740.db2.gz KZGYEQFUSWYTOJ-CQSZACIVSA-N 2 1 276.380 2.080 20 0 CEADMP COCc1ccccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422809577 394801666 /nfs/dbraw/zinc/80/16/66/394801666.db2.gz SEJCKXVBWGSXMO-GFCCVEGCSA-N 2 1 271.364 2.491 20 0 CEADMP CC(C)Cn1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cn1 ZINC000414914193 394802032 /nfs/dbraw/zinc/80/20/32/394802032.db2.gz XLYPQHAAZBDHTI-HNNXBMFYSA-N 2 1 264.417 2.018 20 0 CEADMP CC[C@@H](CN[C@H](C)C1C[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000422808591 394802089 /nfs/dbraw/zinc/80/20/89/394802089.db2.gz OOJMEOUYXURZLD-KDOFPFPSSA-N 2 1 287.451 2.021 20 0 CEADMP CC[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)N1CCc2ccccc2C1 ZINC000422808591 394802092 /nfs/dbraw/zinc/80/20/92/394802092.db2.gz OOJMEOUYXURZLD-KDOFPFPSSA-N 2 1 287.451 2.021 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC[N@@H+]1C ZINC000336088517 394824996 /nfs/dbraw/zinc/82/49/96/394824996.db2.gz HAAVYBQVYPCASI-CQLXCSJHSA-N 2 1 294.361 2.295 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC[N@H+]1C ZINC000336088517 394824999 /nfs/dbraw/zinc/82/49/99/394824999.db2.gz HAAVYBQVYPCASI-CQLXCSJHSA-N 2 1 294.361 2.295 20 0 CEADMP COc1cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc(OC)c1 ZINC000275084153 394804640 /nfs/dbraw/zinc/80/46/40/394804640.db2.gz ZASIBBXFURBQSC-SUMWQHHRSA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000275084153 394804641 /nfs/dbraw/zinc/80/46/41/394804641.db2.gz ZASIBBXFURBQSC-SUMWQHHRSA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc(OC)c1 ZINC000275084153 394804648 /nfs/dbraw/zinc/80/46/48/394804648.db2.gz ZASIBBXFURBQSC-SUMWQHHRSA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc(OC)c1 ZINC000275084153 394804650 /nfs/dbraw/zinc/80/46/50/394804650.db2.gz ZASIBBXFURBQSC-SUMWQHHRSA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000275084153 394804653 /nfs/dbraw/zinc/80/46/53/394804653.db2.gz ZASIBBXFURBQSC-SUMWQHHRSA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000275084153 394804656 /nfs/dbraw/zinc/80/46/56/394804656.db2.gz ZASIBBXFURBQSC-SUMWQHHRSA-N 2 1 292.423 2.476 20 0 CEADMP Cc1csc(N2CCC([NH2+][C@@H]3C[NH2+]CC[C@H]3C)CC2)n1 ZINC000414923370 394804787 /nfs/dbraw/zinc/80/47/87/394804787.db2.gz GZGAXAOTJPZVMO-BXUZGUMPSA-N 2 1 294.468 2.008 20 0 CEADMP C[C@H]1CCC[C@@H]([NH+]2CCC(NCC(F)(F)C[NH3+])CC2)C1 ZINC000414922209 394805257 /nfs/dbraw/zinc/80/52/57/394805257.db2.gz CJJSJRGINCVKOK-GXTWGEPZSA-N 2 1 289.414 2.213 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000422813940 394805992 /nfs/dbraw/zinc/80/59/92/394805992.db2.gz ZGAYNZVWARUXTQ-OAHLLOKOSA-N 3 1 275.440 2.152 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000422813940 394805996 /nfs/dbraw/zinc/80/59/96/394805996.db2.gz ZGAYNZVWARUXTQ-OAHLLOKOSA-N 3 1 275.440 2.152 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000414925919 394806071 /nfs/dbraw/zinc/80/60/71/394806071.db2.gz KKMDEUNLDMAEOU-KCQAQPDRSA-N 2 1 292.423 2.222 20 0 CEADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)CC1CCOCC1 ZINC000414927695 394807490 /nfs/dbraw/zinc/80/74/90/394807490.db2.gz MICJZLINVXTWLQ-YDHLFZDLSA-N 2 1 254.418 2.027 20 0 CEADMP C[C@H]([NH2+]CCc1cc(F)ccc1F)[C@H]1CCC[NH2+]1 ZINC000422818487 394809402 /nfs/dbraw/zinc/80/94/02/394809402.db2.gz GMBOSSCILRNFGI-IINYFYTJSA-N 2 1 254.324 2.237 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414933293 394809935 /nfs/dbraw/zinc/80/99/35/394809935.db2.gz DNSAREZNXPKAPX-GDBMZVCRSA-N 2 1 284.407 2.268 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)n1 ZINC000414939136 394813231 /nfs/dbraw/zinc/81/32/31/394813231.db2.gz ZBWJIPGVWLPWEV-ZFWWWQNUSA-N 2 1 291.439 2.389 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000414944882 394815341 /nfs/dbraw/zinc/81/53/41/394815341.db2.gz QQEFNJOQGZULPZ-LRDDRELGSA-N 2 1 288.370 2.099 20 0 CEADMP COC1CCC(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000422828482 394815921 /nfs/dbraw/zinc/81/59/21/394815921.db2.gz BCXZKJACVWJGSZ-HIFPTAJRSA-N 2 1 263.385 2.350 20 0 CEADMP Fc1cc(F)c2c(c1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000336054508 394821874 /nfs/dbraw/zinc/82/18/74/394821874.db2.gz JUGXFSGAUUFFKR-UHFFFAOYSA-N 2 1 266.335 2.323 20 0 CEADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000414744068 394749791 /nfs/dbraw/zinc/74/97/91/394749791.db2.gz NZSXCCOBAQKVOA-CQSZACIVSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000414744068 394749796 /nfs/dbraw/zinc/74/97/96/394749796.db2.gz NZSXCCOBAQKVOA-CQSZACIVSA-N 2 1 254.418 2.123 20 0 CEADMP c1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc(-c2ccncc2)c1 ZINC000415046264 394862696 /nfs/dbraw/zinc/86/26/96/394862696.db2.gz UWRITJPBGVNOLF-GOSISDBHSA-N 2 1 297.402 2.217 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415062261 394869939 /nfs/dbraw/zinc/86/99/39/394869939.db2.gz FCEFIHKEOKDMJL-DOMZBBRYSA-N 2 1 254.418 2.299 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422969738 394870437 /nfs/dbraw/zinc/87/04/37/394870437.db2.gz DMICKKREKAOGSU-CGTJXYLNSA-N 2 1 289.467 2.266 20 0 CEADMP CCCOc1ncccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422971836 394870909 /nfs/dbraw/zinc/87/09/09/394870909.db2.gz JVKZYVSQISFTHZ-RYUDHWBXSA-N 2 1 251.374 2.086 20 0 CEADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)n1 ZINC000415065398 394872472 /nfs/dbraw/zinc/87/24/72/394872472.db2.gz GCJYMDVVZTYOFY-HIFRSBDPSA-N 2 1 264.417 2.127 20 0 CEADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCOCC1 ZINC000336796028 394873557 /nfs/dbraw/zinc/87/35/57/394873557.db2.gz OWTKTSYFXJJJEY-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC000337201330 394885488 /nfs/dbraw/zinc/88/54/88/394885488.db2.gz CUEVUZGPGKNMEE-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP COC(=O)C1CCC([NH2+]CC2([NH+](C)C)CCCC2)CC1 ZINC000336843549 394881273 /nfs/dbraw/zinc/88/12/73/394881273.db2.gz XEAWOVNGGJAKMB-UHFFFAOYSA-N 2 1 282.428 2.182 20 0 CEADMP COCCOc1cc(C)ccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415083778 394881586 /nfs/dbraw/zinc/88/15/86/394881586.db2.gz NUNCFXPTMAREMX-OAHLLOKOSA-N 2 1 292.423 2.109 20 0 CEADMP CC1CCC(O)(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000336120919 394828196 /nfs/dbraw/zinc/82/81/96/394828196.db2.gz CFDLAHKNHCQWNK-PCKAHOCUSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422853926 394830805 /nfs/dbraw/zinc/83/08/05/394830805.db2.gz ZMCZPDICFHGLCK-ZIAGYGMSSA-N 2 1 285.501 2.063 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415084924 394882779 /nfs/dbraw/zinc/88/27/79/394882779.db2.gz RXMCBOQMOWBWPI-LTIDMASMSA-N 2 1 279.472 2.371 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415084924 394882783 /nfs/dbraw/zinc/88/27/83/394882783.db2.gz RXMCBOQMOWBWPI-LTIDMASMSA-N 2 1 279.472 2.371 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[N@@H+]1CCCC[C@@H]1C ZINC000422858727 394834049 /nfs/dbraw/zinc/83/40/49/394834049.db2.gz JBRSRHIOVLERLN-KBPBESRZSA-N 2 1 290.455 2.374 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[N@H+]1CCCC[C@@H]1C ZINC000422858727 394834051 /nfs/dbraw/zinc/83/40/51/394834051.db2.gz JBRSRHIOVLERLN-KBPBESRZSA-N 2 1 290.455 2.374 20 0 CEADMP C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1c[nH+]ccc1N ZINC000422858092 394834189 /nfs/dbraw/zinc/83/41/89/394834189.db2.gz IIBDGKOVTXCXML-SNVBAGLBSA-N 2 1 290.333 2.029 20 0 CEADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000361804196 394835579 /nfs/dbraw/zinc/83/55/79/394835579.db2.gz LMGUAMLBJPSPFH-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP COCC[C@@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000124177031 394837443 /nfs/dbraw/zinc/83/74/43/394837443.db2.gz AZXZYPUDXGZNDT-OAHLLOKOSA-N 2 1 276.424 2.449 20 0 CEADMP COCC[C@@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000124177031 394837446 /nfs/dbraw/zinc/83/74/46/394837446.db2.gz AZXZYPUDXGZNDT-OAHLLOKOSA-N 2 1 276.424 2.449 20 0 CEADMP CC[C@H](NC[C@H](C)[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422868943 394840241 /nfs/dbraw/zinc/84/02/41/394840241.db2.gz WGMYEZADYRUXJU-UGUYLWEFSA-N 2 1 267.461 2.370 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)N[C@H]2CC[NH2+]C2)cc1 ZINC000422868929 394840308 /nfs/dbraw/zinc/84/03/08/394840308.db2.gz VWOJBIDORFXUTG-WFASDCNBSA-N 2 1 270.380 2.193 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422874226 394842013 /nfs/dbraw/zinc/84/20/13/394842013.db2.gz CIGPHZREAUMPEB-QKPAOTATSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]2N)C1 ZINC000422874226 394842015 /nfs/dbraw/zinc/84/20/15/394842015.db2.gz CIGPHZREAUMPEB-QKPAOTATSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2N)C1 ZINC000422874226 394842016 /nfs/dbraw/zinc/84/20/16/394842016.db2.gz CIGPHZREAUMPEB-QKPAOTATSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422873427 394842852 /nfs/dbraw/zinc/84/28/52/394842852.db2.gz AFSVUUNRNSYDLK-QBPKDAKJSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422875292 394843931 /nfs/dbraw/zinc/84/39/31/394843931.db2.gz DQYDGYFSMPEHBB-YYIAUSFCSA-N 2 1 281.488 2.462 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422875292 394843932 /nfs/dbraw/zinc/84/39/32/394843932.db2.gz DQYDGYFSMPEHBB-YYIAUSFCSA-N 3 1 281.488 2.462 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422875292 394843934 /nfs/dbraw/zinc/84/39/34/394843934.db2.gz DQYDGYFSMPEHBB-YYIAUSFCSA-N 3 1 281.488 2.462 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)[C@H](C)[NH3+] ZINC000415005343 394845180 /nfs/dbraw/zinc/84/51/80/394845180.db2.gz JFAUVKHNGSAQMW-JGVFFNPUSA-N 2 1 275.165 2.414 20 0 CEADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422880232 394847077 /nfs/dbraw/zinc/84/70/77/394847077.db2.gz WOGCIROAKJLWEP-KKUMJFAQSA-N 2 1 289.423 2.004 20 0 CEADMP CC[N@@H+](CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000422884399 394849121 /nfs/dbraw/zinc/84/91/21/394849121.db2.gz WSJDEJHYBYRTHP-ARFHVFGLSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422884392 394849364 /nfs/dbraw/zinc/84/93/64/394849364.db2.gz SDAPRJAQLOYHNZ-TWMKSMIVSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422887479 394850233 /nfs/dbraw/zinc/85/02/33/394850233.db2.gz YVHJDOLLWMPIMH-DNLWUEFJSA-N 3 1 279.472 2.227 20 0 CEADMP C[C@@H](NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C1C[NH2+]C1 ZINC000422910929 394859757 /nfs/dbraw/zinc/85/97/57/394859757.db2.gz RWJQWWCUPZXBJD-PBHICJAKSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000422912896 394860487 /nfs/dbraw/zinc/86/04/87/394860487.db2.gz XGWFUOPPXKVDKM-DOMZBBRYSA-N 2 1 250.361 2.346 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2)c2ccccc21 ZINC000422913565 394860847 /nfs/dbraw/zinc/86/08/47/394860847.db2.gz QGPXNJWJPFVHSJ-IAGOWNOFSA-N 2 1 295.386 2.151 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000423028353 394884634 /nfs/dbraw/zinc/88/46/34/394884634.db2.gz GEEHBKBSJQTTMO-SWLSCSKDSA-N 2 1 265.376 2.215 20 0 CEADMP COC(=O)[C@@](C)(C[NH2+]C[C@@H]([NH3+])CC(C)C)c1ccccc1 ZINC000415116041 394894162 /nfs/dbraw/zinc/89/41/62/394894162.db2.gz YXRGJMUPKWKIRU-RDJZCZTQSA-N 2 1 292.423 2.080 20 0 CEADMP CC[NH2+]CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423237236 394888416 /nfs/dbraw/zinc/88/84/16/394888416.db2.gz PSQUNOHBYWXYFV-JKSUJKDBSA-N 2 1 261.413 2.021 20 0 CEADMP CC(C)c1ccc(CC[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415104635 394891422 /nfs/dbraw/zinc/89/14/22/394891422.db2.gz HHBGRJGUPBYFKN-QGZVFWFLSA-N 2 1 276.424 2.402 20 0 CEADMP CC(C)c1ccc(CC[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415104635 394891424 /nfs/dbraw/zinc/89/14/24/394891424.db2.gz HHBGRJGUPBYFKN-QGZVFWFLSA-N 2 1 276.424 2.402 20 0 CEADMP C[C@H]1C[C@H](N(C)Cc2nc3ccccc3[nH]2)CC[N@H+]1C ZINC000130663433 394893078 /nfs/dbraw/zinc/89/30/78/394893078.db2.gz QKCMOUSNHALERF-QWHCGFSZSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C)C[C@@H]1C[NH3+] ZINC000415118649 394895517 /nfs/dbraw/zinc/89/55/17/394895517.db2.gz DUNAUOSAIPZBEF-HIFRSBDPSA-N 2 1 261.413 2.169 20 0 CEADMP CCC(CC)NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130946805 394900210 /nfs/dbraw/zinc/90/02/10/394900210.db2.gz MRXDJFAUAWAYFV-CYBMUJFWSA-N 2 1 294.443 2.207 20 0 CEADMP CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130946805 394900212 /nfs/dbraw/zinc/90/02/12/394900212.db2.gz MRXDJFAUAWAYFV-CYBMUJFWSA-N 2 1 294.443 2.207 20 0 CEADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423360719 394900404 /nfs/dbraw/zinc/90/04/04/394900404.db2.gz GFCVCGFAPAWKTG-NWDGAFQWSA-N 2 1 278.400 2.214 20 0 CEADMP CCOC(=O)CCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366914613 394954058 /nfs/dbraw/zinc/95/40/58/394954058.db2.gz QCXUMBPGNKNVEX-UHFFFAOYSA-N 2 1 282.428 2.138 20 0 CEADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1OC ZINC000423399141 394915188 /nfs/dbraw/zinc/91/51/88/394915188.db2.gz PKXUQEMYPCSVOQ-SDDRHHMPSA-N 2 1 266.385 2.133 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])CC2CCCCC2)CC[N@H+]1C ZINC000423430844 394920482 /nfs/dbraw/zinc/92/04/82/394920482.db2.gz UPYRIHCFSWSFBK-VNQPRFMTSA-N 2 1 295.471 2.225 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@@H]2CCC[C@H]21 ZINC000423430353 394920659 /nfs/dbraw/zinc/92/06/59/394920659.db2.gz UHFHDBJJGSMTGJ-QUSNUVHPSA-N 3 1 279.472 2.214 20 0 CEADMP CN1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@@H]2CCC[C@H]21 ZINC000423430353 394920662 /nfs/dbraw/zinc/92/06/62/394920662.db2.gz UHFHDBJJGSMTGJ-QUSNUVHPSA-N 2 1 279.472 2.214 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccsc1 ZINC000423492605 394935660 /nfs/dbraw/zinc/93/56/60/394935660.db2.gz NWQGKUKCNCUQOO-CHWSQXEVSA-N 2 1 254.399 2.167 20 0 CEADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423498731 394936005 /nfs/dbraw/zinc/93/60/05/394936005.db2.gz BXGSABKWQHTMJF-NVXWUHKLSA-N 2 1 287.451 2.174 20 0 CEADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cncs1 ZINC000423507624 394940439 /nfs/dbraw/zinc/94/04/39/394940439.db2.gz JUSARGWXWQAONW-HSBZDZAISA-N 2 1 294.468 2.010 20 0 CEADMP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423519561 394942734 /nfs/dbraw/zinc/94/27/34/394942734.db2.gz PZQCWHZAXLBCJG-NUEKZKHPSA-N 3 1 261.413 2.197 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+](C)C2CCCC2)[C@H](C)C1 ZINC000133221209 394947298 /nfs/dbraw/zinc/94/72/98/394947298.db2.gz GWUOEMBAHLZICQ-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@H+](C)C2CCCC2)[C@H](C)C1 ZINC000133221209 394947300 /nfs/dbraw/zinc/94/73/00/394947300.db2.gz GWUOEMBAHLZICQ-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@@H+](C)C2CCCC2)[C@H](C)C1 ZINC000133221209 394947302 /nfs/dbraw/zinc/94/73/02/394947302.db2.gz GWUOEMBAHLZICQ-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C12CCC2 ZINC000423566296 394952910 /nfs/dbraw/zinc/95/29/10/394952910.db2.gz TZWHKWXLPJGYHL-BFHYXJOUSA-N 2 1 252.402 2.066 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000153782161 395018532 /nfs/dbraw/zinc/01/85/32/395018532.db2.gz MPYNOGFWRLJAFK-CQSZACIVSA-N 2 1 280.412 2.314 20 0 CEADMP CC(C)CC[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000339410244 394958170 /nfs/dbraw/zinc/95/81/70/394958170.db2.gz PWSQGOOMLQUUSN-HNNXBMFYSA-N 2 1 290.455 2.410 20 0 CEADMP Cc1cnn(CCCCC[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000367423724 394963416 /nfs/dbraw/zinc/96/34/16/394963416.db2.gz MXEJYYFNVKSJJQ-IAGOWNOFSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000367423724 394963421 /nfs/dbraw/zinc/96/34/21/394963421.db2.gz MXEJYYFNVKSJJQ-IAGOWNOFSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000367423724 394963423 /nfs/dbraw/zinc/96/34/23/394963423.db2.gz MXEJYYFNVKSJJQ-IAGOWNOFSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000367423724 394963427 /nfs/dbraw/zinc/96/34/27/394963427.db2.gz MXEJYYFNVKSJJQ-IAGOWNOFSA-N 2 1 290.455 2.388 20 0 CEADMP C[NH+](C)CCCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340168193 394978827 /nfs/dbraw/zinc/97/88/27/394978827.db2.gz QZMPPJICHYCJIY-IRXDYDNUSA-N 2 1 275.440 2.363 20 0 CEADMP CCCCN(CC)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158669681 395051179 /nfs/dbraw/zinc/05/11/79/395051179.db2.gz DKUQFVGTLJKXQT-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCN(CC)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158669681 395051183 /nfs/dbraw/zinc/05/11/83/395051183.db2.gz DKUQFVGTLJKXQT-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCN(CC)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158669681 395051188 /nfs/dbraw/zinc/05/11/88/395051188.db2.gz DKUQFVGTLJKXQT-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCN(CC)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158669681 395051192 /nfs/dbraw/zinc/05/11/92/395051192.db2.gz DKUQFVGTLJKXQT-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCCC[C@@H]1O ZINC000162499919 395074663 /nfs/dbraw/zinc/07/46/63/395074663.db2.gz LRNOQYHANHEZCE-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP Cn1cc(C2CC[NH+](CCC[NH+]3CCCC3)CC2)cn1 ZINC000163087578 395080900 /nfs/dbraw/zinc/08/09/00/395080900.db2.gz WTEKTBWBCGDACJ-UHFFFAOYSA-N 2 1 276.428 2.085 20 0 CEADMP CC[C@H](C(=O)NCCNc1cccc(C)[nH+]1)[NH+](CC)CC ZINC000346209202 395091230 /nfs/dbraw/zinc/09/12/30/395091230.db2.gz CHXTWPNQXALGAX-CQSZACIVSA-N 2 1 292.427 2.039 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H]3C=CCCC3)C2)CC1 ZINC000375887025 395103077 /nfs/dbraw/zinc/10/30/77/395103077.db2.gz BJHVRGIWJWAHAA-IRXDYDNUSA-N 2 1 277.456 2.195 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C2CCOCC2)CC1 ZINC000158065775 395036573 /nfs/dbraw/zinc/03/65/73/395036573.db2.gz BSJDVCFTNLRPFF-OAHLLOKOSA-N 2 1 298.471 2.281 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436405567 395114417 /nfs/dbraw/zinc/11/44/17/395114417.db2.gz BWDSMYZFYYVUIV-KURKYZTESA-N 2 1 288.435 2.054 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000436405567 395114419 /nfs/dbraw/zinc/11/44/19/395114419.db2.gz BWDSMYZFYYVUIV-KURKYZTESA-N 2 1 288.435 2.054 20 0 CEADMP C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346967529 395114549 /nfs/dbraw/zinc/11/45/49/395114549.db2.gz DCGBXHGUVSCWFH-CKEIUWERSA-N 2 1 274.408 2.310 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](CO)c3ccccc32)CC[N@@H+]1C ZINC000376954248 395132002 /nfs/dbraw/zinc/13/20/02/395132002.db2.gz JSGIRSICZLBIQM-VMUDFCTBSA-N 2 1 274.408 2.280 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](CO)c3ccccc32)CC[N@H+]1C ZINC000376954248 395132005 /nfs/dbraw/zinc/13/20/05/395132005.db2.gz JSGIRSICZLBIQM-VMUDFCTBSA-N 2 1 274.408 2.280 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000173785947 395115354 /nfs/dbraw/zinc/11/53/54/395115354.db2.gz LTVNZWVBGIRVOT-SJLPKXTDSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000173785947 395115357 /nfs/dbraw/zinc/11/53/57/395115357.db2.gz LTVNZWVBGIRVOT-SJLPKXTDSA-N 2 1 288.435 2.446 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CCCCC2)CC[N@@H+]1C ZINC000417369910 395120108 /nfs/dbraw/zinc/12/01/08/395120108.db2.gz RYOCRUDIMFZFQF-VNQPRFMTSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CCCCC2)CC[N@H+]1C ZINC000417369910 395120112 /nfs/dbraw/zinc/12/01/12/395120112.db2.gz RYOCRUDIMFZFQF-VNQPRFMTSA-N 2 1 268.445 2.390 20 0 CEADMP CC(C)C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000347353682 395121938 /nfs/dbraw/zinc/12/19/38/395121938.db2.gz ZPMWVXTXMBMJEU-LSDHHAIUSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)c1ccc(CC[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000347531452 395125739 /nfs/dbraw/zinc/12/57/39/395125739.db2.gz WGLXWVXEJYRRJV-KRWDZBQOSA-N 2 1 276.424 2.009 20 0 CEADMP CC(C)c1ccc(CC[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000347531452 395125742 /nfs/dbraw/zinc/12/57/42/395125742.db2.gz WGLXWVXEJYRRJV-KRWDZBQOSA-N 2 1 276.424 2.009 20 0 CEADMP C[C@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)C[NH+](C)C ZINC000291651853 395151783 /nfs/dbraw/zinc/15/17/83/395151783.db2.gz CVCQNRRGQYNBNL-MRXNPFEDSA-N 2 1 289.467 2.438 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccccc2Cl)CC[N@H+]1C ZINC000348403396 395143398 /nfs/dbraw/zinc/14/33/98/395143398.db2.gz LUUVOHZYSIFGSQ-MGPQQGTHSA-N 2 1 296.842 2.488 20 0 CEADMP CO[C@@]1(C)C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C1(C)C ZINC000178976841 395176535 /nfs/dbraw/zinc/17/65/35/395176535.db2.gz DCGNTYCKRJBEGY-HIFRSBDPSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000182132996 395233725 /nfs/dbraw/zinc/23/37/25/395233725.db2.gz GKFSSXKLQIWYEA-FPCVCCKLSA-N 2 1 296.455 2.381 20 0 CEADMP C(C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]C1 ZINC000519654562 395203507 /nfs/dbraw/zinc/20/35/07/395203507.db2.gz TXTXCWSOHUPSEB-XHSDSOJGSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000394427571 395205655 /nfs/dbraw/zinc/20/56/55/395205655.db2.gz IDGRBOKFZGYEDI-MAUKXSAKSA-N 2 1 298.434 2.348 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000394427571 395205660 /nfs/dbraw/zinc/20/56/60/395205660.db2.gz IDGRBOKFZGYEDI-MAUKXSAKSA-N 2 1 298.434 2.348 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000394870940 395211521 /nfs/dbraw/zinc/21/15/21/395211521.db2.gz YFRACOUTXDFVJW-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]CC[C@@H]1CCOC1 ZINC000438206183 395211960 /nfs/dbraw/zinc/21/19/60/395211960.db2.gz IPQNBTPKWKCGSP-QKPAOTATSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]CC[C@@H]1CCOC1 ZINC000438206183 395211966 /nfs/dbraw/zinc/21/19/66/395211966.db2.gz IPQNBTPKWKCGSP-QKPAOTATSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1C[NH3+] ZINC000397304094 395221139 /nfs/dbraw/zinc/22/11/39/395221139.db2.gz LUUOYMGJHVDRTH-RBSFLKMASA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1C[NH3+] ZINC000397304094 395221146 /nfs/dbraw/zinc/22/11/46/395221146.db2.gz LUUOYMGJHVDRTH-RBSFLKMASA-N 2 1 295.471 2.083 20 0 CEADMP COc1ccccc1OCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397307908 395221715 /nfs/dbraw/zinc/22/17/15/395221715.db2.gz NJABACVVPMXZPP-KFWWJZLASA-N 2 1 292.423 2.379 20 0 CEADMP C[C@@H]([NH3+])C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000420322054 395325515 /nfs/dbraw/zinc/32/55/15/395325515.db2.gz RXFOBRPDFDNDMA-CQSZACIVSA-N 2 1 273.424 2.108 20 0 CEADMP C[N@@H+](CCOc1ccc(F)cc1)CC[C@H]1CC[NH2+]C1 ZINC000420323355 395325889 /nfs/dbraw/zinc/32/58/89/395325889.db2.gz SYPCPENSCKOJQZ-CYBMUJFWSA-N 2 1 266.360 2.136 20 0 CEADMP C[C@H](c1ccccc1Cl)[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000420323729 395326022 /nfs/dbraw/zinc/32/60/22/395326022.db2.gz UQSFRWWYVJIDTL-QWHCGFSZSA-N 2 1 281.831 2.366 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)[C@H]2CCC[C@H]21 ZINC000353445812 395298701 /nfs/dbraw/zinc/29/87/01/395298701.db2.gz IRZORUQIYWECHA-VVLHAWIVSA-N 2 1 286.419 2.453 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000354326446 395326347 /nfs/dbraw/zinc/32/63/47/395326347.db2.gz DEHRAMZWXZIDOC-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]1CCC[C@H]([N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420298444 395303875 /nfs/dbraw/zinc/30/38/75/395303875.db2.gz FHKXNAWKLAKIFJ-DKIMLUQUSA-N 2 1 290.451 2.428 20 0 CEADMP C[C@H]1CCC[C@H]([N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420298444 395303881 /nfs/dbraw/zinc/30/38/81/395303881.db2.gz FHKXNAWKLAKIFJ-DKIMLUQUSA-N 2 1 290.451 2.428 20 0 CEADMP CC(C)CC[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420300398 395305552 /nfs/dbraw/zinc/30/55/52/395305552.db2.gz KGGPTUIPUDTPRV-MRXNPFEDSA-N 2 1 267.461 2.182 20 0 CEADMP CCOCC[N@@H+](CC)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420301111 395305846 /nfs/dbraw/zinc/30/58/46/395305846.db2.gz IJGSNQSSHIOJJT-OAHLLOKOSA-N 2 1 280.412 2.096 20 0 CEADMP CC[N@H+](CC(=O)N(CC(C)C)C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000420304673 395309197 /nfs/dbraw/zinc/30/91/97/395309197.db2.gz FIVGOALDJTVVGU-MRXNPFEDSA-N 2 1 297.487 2.343 20 0 CEADMP CC[N@@H+](CC(=O)N(CC(C)C)C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000420304673 395309200 /nfs/dbraw/zinc/30/92/00/395309200.db2.gz FIVGOALDJTVVGU-MRXNPFEDSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420305605 395311609 /nfs/dbraw/zinc/31/16/09/395311609.db2.gz PQDUPXJVEWBRAS-HNNXBMFYSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)N1CCC([N@H+](C)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420305605 395311612 /nfs/dbraw/zinc/31/16/12/395311612.db2.gz PQDUPXJVEWBRAS-HNNXBMFYSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)N1CCC([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420305605 395311616 /nfs/dbraw/zinc/31/16/16/395311616.db2.gz PQDUPXJVEWBRAS-HNNXBMFYSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@@H+](CC[C@@H]1CCCCO1)[C@H]1CCC[NH2+]CC1 ZINC000420306060 395311667 /nfs/dbraw/zinc/31/16/67/395311667.db2.gz HGSXCDBHLJOKIN-GJZGRUSLSA-N 2 1 254.418 2.410 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(C)s1 ZINC000420309866 395314681 /nfs/dbraw/zinc/31/46/81/395314681.db2.gz OZUNXSLIPJQVSZ-GXSJLCMTSA-N 2 1 282.409 2.012 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(C)s1 ZINC000420309866 395314687 /nfs/dbraw/zinc/31/46/87/395314687.db2.gz OZUNXSLIPJQVSZ-GXSJLCMTSA-N 2 1 282.409 2.012 20 0 CEADMP CC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H](C)C(C)C ZINC000420313248 395316410 /nfs/dbraw/zinc/31/64/10/395316410.db2.gz XULQANCBWBSDIV-XIRDDKMYSA-N 2 1 278.440 2.284 20 0 CEADMP CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](C)C(C)C ZINC000420313248 395316411 /nfs/dbraw/zinc/31/64/11/395316411.db2.gz XULQANCBWBSDIV-XIRDDKMYSA-N 2 1 278.440 2.284 20 0 CEADMP CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](C)C(C)C ZINC000420313248 395316416 /nfs/dbraw/zinc/31/64/16/395316416.db2.gz XULQANCBWBSDIV-XIRDDKMYSA-N 2 1 278.440 2.284 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320652 395323197 /nfs/dbraw/zinc/32/31/97/395323197.db2.gz BNZQXKVMOZWQFJ-UONOGXRCSA-N 2 1 277.412 2.367 20 0 CEADMP CN1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000420320377 395323451 /nfs/dbraw/zinc/32/34/51/395323451.db2.gz QBDGPACCMINNCS-OAHLLOKOSA-N 2 1 273.424 2.328 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCO[C@H](C)C2)C1 ZINC000352632119 395264153 /nfs/dbraw/zinc/26/41/53/395264153.db2.gz YLGIYAOYQJYFGD-PMPSAXMXSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCO[C@H](C)C2)C1 ZINC000352632119 395264156 /nfs/dbraw/zinc/26/41/56/395264156.db2.gz YLGIYAOYQJYFGD-PMPSAXMXSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@H](C)C2)C1 ZINC000352632119 395264160 /nfs/dbraw/zinc/26/41/60/395264160.db2.gz YLGIYAOYQJYFGD-PMPSAXMXSA-N 2 1 268.445 2.465 20 0 CEADMP Cc1nccn1C[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420321725 395324230 /nfs/dbraw/zinc/32/42/30/395324230.db2.gz RODFZXCXKVYCMR-CVEARBPZSA-N 2 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420321725 395324234 /nfs/dbraw/zinc/32/42/34/395324234.db2.gz RODFZXCXKVYCMR-CVEARBPZSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420321725 395324237 /nfs/dbraw/zinc/32/42/37/395324237.db2.gz RODFZXCXKVYCMR-CVEARBPZSA-N 3 1 276.428 2.046 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000184654120 395274318 /nfs/dbraw/zinc/27/43/18/395274318.db2.gz AGCJZCYZMIKKNQ-CQSZACIVSA-N 2 1 254.418 2.406 20 0 CEADMP CC(C)c1nc2c(n1C)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000420321674 395324367 /nfs/dbraw/zinc/32/43/67/395324367.db2.gz RLVGKTJQWSXHJX-CQSZACIVSA-N 2 1 290.455 2.291 20 0 CEADMP COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCC1CC[NH2+]CC1 ZINC000420365820 395353523 /nfs/dbraw/zinc/35/35/23/395353523.db2.gz SSVHYUPZPHPEMO-OAGGEKHMSA-N 2 1 294.439 2.182 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000355037353 395354457 /nfs/dbraw/zinc/35/44/57/395354457.db2.gz MEYHPSOWBIKXPT-UHFFFAOYSA-N 2 1 290.407 2.461 20 0 CEADMP CC[C@H](F)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000440783793 395355489 /nfs/dbraw/zinc/35/54/89/395355489.db2.gz QKKLAFJWRSBCQN-HNNXBMFYSA-N 2 1 285.451 2.225 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420377118 395362064 /nfs/dbraw/zinc/36/20/64/395362064.db2.gz KROUNOWUASTLKP-CZUORRHYSA-N 2 1 285.395 2.135 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420377114 395362721 /nfs/dbraw/zinc/36/27/21/395362721.db2.gz KROUNOWUASTLKP-BBRMVZONSA-N 2 1 285.395 2.135 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420381202 395366316 /nfs/dbraw/zinc/36/63/16/395366316.db2.gz CKLFPUDIQIQWTD-KBPBESRZSA-N 2 1 279.453 2.458 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@@H+]2CC[C@@H]([NH3+])C2)cc1F ZINC000435370984 395367756 /nfs/dbraw/zinc/36/77/56/395367756.db2.gz KSPOLFKZHKKTDM-DGCLKSJQSA-N 2 1 266.360 2.046 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@H+]2CC[C@@H]([NH3+])C2)cc1F ZINC000435370984 395367759 /nfs/dbraw/zinc/36/77/59/395367759.db2.gz KSPOLFKZHKKTDM-DGCLKSJQSA-N 2 1 266.360 2.046 20 0 CEADMP FC(F)(F)COCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420408865 395373759 /nfs/dbraw/zinc/37/37/59/395373759.db2.gz WJHFZNUTLRAXQH-NWDGAFQWSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)COCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420408865 395373762 /nfs/dbraw/zinc/37/37/62/395373762.db2.gz WJHFZNUTLRAXQH-NWDGAFQWSA-N 2 1 280.334 2.029 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000435727841 395383275 /nfs/dbraw/zinc/38/32/75/395383275.db2.gz GLBOTLUNAHPUGB-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435727841 395383279 /nfs/dbraw/zinc/38/32/79/395383279.db2.gz GLBOTLUNAHPUGB-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435727841 395383282 /nfs/dbraw/zinc/38/32/82/395383282.db2.gz GLBOTLUNAHPUGB-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435727841 395383287 /nfs/dbraw/zinc/38/32/87/395383287.db2.gz GLBOTLUNAHPUGB-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435727841 395383290 /nfs/dbraw/zinc/38/32/90/395383290.db2.gz GLBOTLUNAHPUGB-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCC[NH2+]C)CC1 ZINC000435879962 395394788 /nfs/dbraw/zinc/39/47/88/395394788.db2.gz MWGOIZJJCCNPOF-UHFFFAOYSA-N 3 1 255.450 2.040 20 0 CEADMP CCCC[N@H+](C)CC1CCN(CCC[NH2+]C)CC1 ZINC000435879962 395394793 /nfs/dbraw/zinc/39/47/93/395394793.db2.gz MWGOIZJJCCNPOF-UHFFFAOYSA-N 2 1 255.450 2.040 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(CCC[NH2+]C)CC1 ZINC000435879962 395394795 /nfs/dbraw/zinc/39/47/95/395394795.db2.gz MWGOIZJJCCNPOF-UHFFFAOYSA-N 2 1 255.450 2.040 20 0 CEADMP Cc1nc2c(c(N(C)C[C@@H]3CCC[N@H+]3C)n1)CCCC2 ZINC000420635902 395395998 /nfs/dbraw/zinc/39/59/98/395395998.db2.gz MSQJZXMGPRUZPV-ZDUSSCGKSA-N 2 1 274.412 2.194 20 0 CEADMP Cc1cccc(NC(=O)C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)c1C ZINC000420326505 395328993 /nfs/dbraw/zinc/32/89/93/395328993.db2.gz XNTVJVKYLPKEPH-HNNXBMFYSA-N 2 1 289.423 2.173 20 0 CEADMP c1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420326750 395329209 /nfs/dbraw/zinc/32/92/09/395329209.db2.gz XOBAACPCMGQUHE-RDJZCZTQSA-N 2 1 274.408 2.450 20 0 CEADMP C[N@@H+](CCOc1ccc(F)cc1Cl)C1CC([NH3+])C1 ZINC000420327581 395329641 /nfs/dbraw/zinc/32/96/41/395329641.db2.gz GPDBCGLYPSCDOD-UHFFFAOYSA-N 2 1 272.751 2.279 20 0 CEADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420351021 395339493 /nfs/dbraw/zinc/33/94/93/395339493.db2.gz ITUWYSFDDASXIX-STQMWFEESA-N 2 1 256.777 2.043 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440637594 395339465 /nfs/dbraw/zinc/33/94/65/395339465.db2.gz OBIXGTHLORWFOH-ONGXEEELSA-N 2 1 290.333 2.391 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435130057 395350430 /nfs/dbraw/zinc/35/04/30/395350430.db2.gz PRULDTLKBLUOJO-CYBMUJFWSA-N 2 1 288.395 2.443 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435130057 395350437 /nfs/dbraw/zinc/35/04/37/395350437.db2.gz PRULDTLKBLUOJO-CYBMUJFWSA-N 2 1 288.395 2.443 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435130057 395350439 /nfs/dbraw/zinc/35/04/39/395350439.db2.gz PRULDTLKBLUOJO-CYBMUJFWSA-N 2 1 288.395 2.443 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435130057 395350446 /nfs/dbraw/zinc/35/04/46/395350446.db2.gz PRULDTLKBLUOJO-CYBMUJFWSA-N 2 1 288.395 2.443 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOCCOc1ccccc1 ZINC000420364982 395351634 /nfs/dbraw/zinc/35/16/34/395351634.db2.gz PRZXFYFDQBRYPP-OAHLLOKOSA-N 2 1 280.412 2.045 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)CC1 ZINC000529568670 395407364 /nfs/dbraw/zinc/40/73/64/395407364.db2.gz VSAVNBCTBWOENS-CQSZACIVSA-N 2 1 277.387 2.384 20 0 CEADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCC[NH+]2CCCC(C)(C)C2)C1 ZINC000444030944 395412011 /nfs/dbraw/zinc/41/20/11/395412011.db2.gz LJJANFPVPXYLFD-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@@H](NCC[NH+]2CCCC(C)(C)C2)C1 ZINC000444030944 395412013 /nfs/dbraw/zinc/41/20/13/395412013.db2.gz LJJANFPVPXYLFD-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1C[C@@H](C)[C@@H](NCC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000444030944 395412016 /nfs/dbraw/zinc/41/20/16/395412016.db2.gz LJJANFPVPXYLFD-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1C[C@@H](C)[C@@H](NCC[N@H+]2CCCC(C)(C)C2)C1 ZINC000444030944 395412018 /nfs/dbraw/zinc/41/20/18/395412018.db2.gz LJJANFPVPXYLFD-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(CCC[NH+]2CCCCC2)C[C@@H]1C ZINC000444610759 395439683 /nfs/dbraw/zinc/43/96/83/395439683.db2.gz QVVITDIQEKBHKZ-JKSUJKDBSA-N 2 1 267.461 2.277 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC000566230383 395507055 /nfs/dbraw/zinc/50/70/55/395507055.db2.gz LLBYHAWSHLUIJA-KRWDZBQOSA-N 2 1 290.455 2.485 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC000566230383 395507056 /nfs/dbraw/zinc/50/70/56/395507056.db2.gz LLBYHAWSHLUIJA-KRWDZBQOSA-N 2 1 290.455 2.485 20 0 CEADMP COCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000566412531 395519423 /nfs/dbraw/zinc/51/94/23/395519423.db2.gz WGIAGXRKXCKPFC-ZFWWWQNUSA-N 2 1 278.396 2.023 20 0 CEADMP CCCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C1CCC1 ZINC000566415774 395520014 /nfs/dbraw/zinc/52/00/14/395520014.db2.gz JPDXKUIVYZYBHT-LSDHHAIUSA-N 2 1 256.434 2.248 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](CCO)CC1CCCCC1 ZINC000566417142 395521010 /nfs/dbraw/zinc/52/10/10/395521010.db2.gz SOEKDACOWWTPEI-UHFFFAOYSA-N 2 1 279.428 2.227 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](CCO)CC1CCCCC1 ZINC000566417142 395521011 /nfs/dbraw/zinc/52/10/11/395521011.db2.gz SOEKDACOWWTPEI-UHFFFAOYSA-N 2 1 279.428 2.227 20 0 CEADMP Cc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(C)s1 ZINC000566541225 395533814 /nfs/dbraw/zinc/53/38/14/395533814.db2.gz XZMJZDUFSLBXGO-UHFFFAOYSA-N 2 1 295.496 2.481 20 0 CEADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000567871132 395537813 /nfs/dbraw/zinc/53/78/13/395537813.db2.gz RTOQTMSCUNECQO-QGZVFWFLSA-N 2 1 285.391 2.414 20 0 CEADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000567871132 395537816 /nfs/dbraw/zinc/53/78/16/395537816.db2.gz RTOQTMSCUNECQO-QGZVFWFLSA-N 2 1 285.391 2.414 20 0 CEADMP C[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000565593010 395477204 /nfs/dbraw/zinc/47/72/04/395477204.db2.gz BNTKYORTSGKVGO-GJZGRUSLSA-N 2 1 276.424 2.389 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446080470 395484832 /nfs/dbraw/zinc/48/48/32/395484832.db2.gz MEMJZHZJMRVPQO-BFHYXJOUSA-N 2 1 265.401 2.469 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446080470 395484834 /nfs/dbraw/zinc/48/48/34/395484834.db2.gz MEMJZHZJMRVPQO-BFHYXJOUSA-N 2 1 265.401 2.469 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccncc1Cl ZINC000566003872 395494718 /nfs/dbraw/zinc/49/47/18/395494718.db2.gz JTQUHIPGSSIOBO-JTQLQIEISA-N 2 1 264.760 2.362 20 0 CEADMP Cc1cccc([C@@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000566114613 395499794 /nfs/dbraw/zinc/49/97/94/395499794.db2.gz CHGUEJIJIISZFJ-WMLDXEAASA-N 2 1 276.424 2.143 20 0 CEADMP Cc1cccc([C@@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000566114613 395499796 /nfs/dbraw/zinc/49/97/96/395499796.db2.gz CHGUEJIJIISZFJ-WMLDXEAASA-N 2 1 276.424 2.143 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000572997854 395598142 /nfs/dbraw/zinc/59/81/42/395598142.db2.gz SMXFHWWSXNJQFT-INIZCTEOSA-N 2 1 271.364 2.345 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000572997854 395598144 /nfs/dbraw/zinc/59/81/44/395598144.db2.gz SMXFHWWSXNJQFT-INIZCTEOSA-N 2 1 271.364 2.345 20 0 CEADMP COC(=O)[C@@H](NCCCc1c[nH+]cn1C)C1CCCCC1 ZINC000568103923 395548718 /nfs/dbraw/zinc/54/87/18/395548718.db2.gz RXNAQSBPOZTZDI-HNNXBMFYSA-N 2 1 293.411 2.064 20 0 CEADMP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cn1 ZINC000568407809 395558984 /nfs/dbraw/zinc/55/89/84/395558984.db2.gz SHSZFBKTAUOABI-ZFWWWQNUSA-N 2 1 276.428 2.238 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cn1 ZINC000568407809 395558987 /nfs/dbraw/zinc/55/89/87/395558987.db2.gz SHSZFBKTAUOABI-ZFWWWQNUSA-N 2 1 276.428 2.238 20 0 CEADMP CCn1cc(C[N@H+](C)C[C@@H](C[NH3+])c2ccc(F)cc2)cn1 ZINC000568633386 395563753 /nfs/dbraw/zinc/56/37/53/395563753.db2.gz JHEGOYHHSCIWEE-OAHLLOKOSA-N 2 1 290.386 2.216 20 0 CEADMP CCn1cc(C[N@@H+](C)C[C@@H](C[NH3+])c2ccc(F)cc2)cn1 ZINC000568633386 395563754 /nfs/dbraw/zinc/56/37/54/395563754.db2.gz JHEGOYHHSCIWEE-OAHLLOKOSA-N 2 1 290.386 2.216 20 0 CEADMP CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000451440698 395618314 /nfs/dbraw/zinc/61/83/14/395618314.db2.gz QGDQYKGMWORFQH-KGLIPLIRSA-N 2 1 256.434 2.246 20 0 CEADMP CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000451440698 395618317 /nfs/dbraw/zinc/61/83/17/395618317.db2.gz QGDQYKGMWORFQH-KGLIPLIRSA-N 2 1 256.434 2.246 20 0 CEADMP C[NH+](C)CC[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)C(C)(C)C ZINC000569214228 395574996 /nfs/dbraw/zinc/57/49/96/395574996.db2.gz OBFHGVRAFQBDNY-ZYHUDNBSSA-N 2 1 284.366 2.256 20 0 CEADMP c1cc2c(cc1C[N@@H+]1CCNCC13CCCCC3)C[NH2+]CC2 ZINC000574331453 395628184 /nfs/dbraw/zinc/62/81/84/395628184.db2.gz CMAFUJIJFJDNSR-UHFFFAOYSA-N 2 1 299.462 2.440 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCNCC13CCCCC3)C[NH2+]CC2 ZINC000574331453 395628186 /nfs/dbraw/zinc/62/81/86/395628186.db2.gz CMAFUJIJFJDNSR-UHFFFAOYSA-N 2 1 299.462 2.440 20 0 CEADMP CN(C)Cc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000574339664 395628472 /nfs/dbraw/zinc/62/84/72/395628472.db2.gz UYVACWZWZWLOQY-CABCVRRESA-N 2 1 279.403 2.247 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000574723532 395636000 /nfs/dbraw/zinc/63/60/00/395636000.db2.gz RWKCEIURASACBK-FPCVCCKLSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000574723534 395636071 /nfs/dbraw/zinc/63/60/71/395636071.db2.gz RWKCEIURASACBK-QKPAOTATSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCC[NH3+])CC1 ZINC000574813672 395638058 /nfs/dbraw/zinc/63/80/58/395638058.db2.gz FKGNWDIZISICCW-OAHLLOKOSA-N 2 1 295.471 2.228 20 0 CEADMP C[C@H]1C[C@H](NCc2noc3ccccc32)CC[N@H+]1C ZINC000574890100 395640145 /nfs/dbraw/zinc/64/01/45/395640145.db2.gz NXANAZGIDRTDOR-NWDGAFQWSA-N 2 1 259.353 2.400 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CC1(C)C ZINC000487309636 395667241 /nfs/dbraw/zinc/66/72/41/395667241.db2.gz LCQNCUDDGAMOOZ-RRFJBIMHSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344078 395706832 /nfs/dbraw/zinc/70/68/32/395706832.db2.gz IPHAYRVHMLXVMT-BGTYHANMSA-N 2 1 288.435 2.346 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCCO1 ZINC000647344226 395707074 /nfs/dbraw/zinc/70/70/74/395707074.db2.gz MFVJTOFIMFZUJX-NRSFXHEJSA-N 2 1 288.435 2.489 20 0 CEADMP CCOC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344448 395707246 /nfs/dbraw/zinc/70/72/46/395707246.db2.gz QTLNOJMHHSAJEF-UAGQMJEPSA-N 2 1 276.424 2.346 20 0 CEADMP Cc1cccc2nc(CC[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cn21 ZINC000647364693 395709448 /nfs/dbraw/zinc/70/94/48/395709448.db2.gz JGIBFVXDTMXXIB-GJZGRUSLSA-N 2 1 286.423 2.258 20 0 CEADMP Cn1cnc2cc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)ccc21 ZINC000647482680 395720242 /nfs/dbraw/zinc/72/02/42/395720242.db2.gz XWDCPAHPDJUWRF-UHFFFAOYSA-N 2 1 284.407 2.290 20 0 CEADMP Cc1ccccc1C[N@H+]1CCCN(CC(C)(C)[NH3+])CC1 ZINC000647513827 395724620 /nfs/dbraw/zinc/72/46/20/395724620.db2.gz HXRVDJLLGMIMCA-UHFFFAOYSA-N 2 1 275.440 2.240 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)CC[C@H]1[NH3+] ZINC000647498322 395722070 /nfs/dbraw/zinc/72/20/70/395722070.db2.gz FDXLNSNJUYNYMJ-TZMCWYRMSA-N 2 1 276.380 2.017 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)CC[C@H]1[NH3+] ZINC000647498322 395722071 /nfs/dbraw/zinc/72/20/71/395722071.db2.gz FDXLNSNJUYNYMJ-TZMCWYRMSA-N 2 1 276.380 2.017 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)o1 ZINC000647508554 395723615 /nfs/dbraw/zinc/72/36/15/395723615.db2.gz RJOGJFZPNZRMBU-DGCLKSJQSA-N 2 1 288.395 2.158 20 0 CEADMP COc1cccc(OCCC[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)c1 ZINC000647548624 395732689 /nfs/dbraw/zinc/73/26/89/395732689.db2.gz LDRHSPLUYDBVQD-UONOGXRCSA-N 2 1 278.396 2.052 20 0 CEADMP COCCOc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000647531090 395727257 /nfs/dbraw/zinc/72/72/57/395727257.db2.gz AETZSXCAAFXHEK-UHFFFAOYSA-N 2 1 278.396 2.025 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC[NH2+]1 ZINC000647542708 395731178 /nfs/dbraw/zinc/73/11/78/395731178.db2.gz AFNDCXANAMNEDL-WCXIOVBPSA-N 3 1 279.472 2.086 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)[nH]c2c1 ZINC000647550113 395733238 /nfs/dbraw/zinc/73/32/38/395733238.db2.gz ADHNSLXPHWVPMV-MGPQQGTHSA-N 2 1 284.407 2.349 20 0 CEADMP COc1cc(CC[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)ccc1C ZINC000647550179 395733383 /nfs/dbraw/zinc/73/33/83/395733383.db2.gz DPRBFDUJMHSOMG-SWLSCSKDSA-N 2 1 262.397 2.134 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000647550557 395733665 /nfs/dbraw/zinc/73/36/65/395733665.db2.gz XWFAASGOCOPCCZ-RDJZCZTQSA-N 3 1 281.488 2.332 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cccc(C[NH3+])c1 ZINC000647607284 395737138 /nfs/dbraw/zinc/73/71/38/395737138.db2.gz GBUYYVQLNPWEEW-GFCCVEGCSA-N 2 1 286.379 2.494 20 0 CEADMP Cc1[nH]c2nc[nH+]c(NC3CCC([NH3+])CC3)c2c1C ZINC000647704871 395747039 /nfs/dbraw/zinc/74/70/39/395747039.db2.gz NQUOVYUSKQHTOF-UHFFFAOYSA-N 2 1 259.357 2.257 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647786059 395754007 /nfs/dbraw/zinc/75/40/07/395754007.db2.gz HGYRKIHDEAWBQV-YLFCFFPRSA-N 3 1 279.472 2.229 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647786059 395754009 /nfs/dbraw/zinc/75/40/09/395754009.db2.gz HGYRKIHDEAWBQV-YLFCFFPRSA-N 3 1 279.472 2.229 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647797754 395756590 /nfs/dbraw/zinc/75/65/90/395756590.db2.gz BFXNTIDERGQGIW-FJIDUMEYSA-N 3 1 293.499 2.475 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC2CCCCC2)CC[C@H]1[NH3+] ZINC000647940243 395780947 /nfs/dbraw/zinc/78/09/47/395780947.db2.gz QKRKKLTZUKXRFV-NUEKZKHPSA-N 2 1 295.471 2.131 20 0 CEADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC2CCCCC2)CC[C@H]1[NH3+] ZINC000647940243 395780949 /nfs/dbraw/zinc/78/09/49/395780949.db2.gz QKRKKLTZUKXRFV-NUEKZKHPSA-N 2 1 295.471 2.131 20 0 CEADMP COc1cccc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000647955055 395783296 /nfs/dbraw/zinc/78/32/96/395783296.db2.gz MUVLHYCQDUWFMC-QGZVFWFLSA-N 2 1 290.407 2.150 20 0 CEADMP COc1cccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000647955055 395783298 /nfs/dbraw/zinc/78/32/98/395783298.db2.gz MUVLHYCQDUWFMC-QGZVFWFLSA-N 2 1 290.407 2.150 20 0 CEADMP C[N@@H+](CCC[NH3+])CCOc1ccc(F)cc1Cl ZINC000647847336 395762920 /nfs/dbraw/zinc/76/29/20/395762920.db2.gz KAYHHMVMJGAGKM-UHFFFAOYSA-N 2 1 260.740 2.139 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000647965424 395789098 /nfs/dbraw/zinc/78/90/98/395789098.db2.gz WLBBMKZLRSDWFX-LVQVYYBASA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000647965424 395789101 /nfs/dbraw/zinc/78/91/01/395789101.db2.gz WLBBMKZLRSDWFX-LVQVYYBASA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000647965424 395789104 /nfs/dbraw/zinc/78/91/04/395789104.db2.gz WLBBMKZLRSDWFX-LVQVYYBASA-N 2 1 268.445 2.341 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2[nH+]ccc3[nH]ccc32)C1 ZINC000647872838 395766988 /nfs/dbraw/zinc/76/69/88/395766988.db2.gz JJONMLMCXDYMEQ-WFASDCNBSA-N 2 1 270.380 2.483 20 0 CEADMP COCC[N@@H+](CCCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647882701 395768438 /nfs/dbraw/zinc/76/84/38/395768438.db2.gz RWZXBRPPYALVKJ-KRWDZBQOSA-N 2 1 276.424 2.177 20 0 CEADMP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647884094 395768850 /nfs/dbraw/zinc/76/88/50/395768850.db2.gz HDFAEHYZBYHELE-HIFRSBDPSA-N 2 1 260.381 2.442 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000647891462 395770033 /nfs/dbraw/zinc/77/00/33/395770033.db2.gz HQSDYFMLZXFXMO-HZPDHXFCSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCS[C@H]2CCCC[C@@H]21 ZINC000647966524 395789427 /nfs/dbraw/zinc/78/94/27/395789427.db2.gz WYZXIQHQPDIJNJ-KKUMJFAQSA-N 2 1 286.485 2.048 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@H]2CCCC[C@@H]21 ZINC000647966524 395789428 /nfs/dbraw/zinc/78/94/28/395789428.db2.gz WYZXIQHQPDIJNJ-KKUMJFAQSA-N 2 1 286.485 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000647966524 395789430 /nfs/dbraw/zinc/78/94/30/395789430.db2.gz WYZXIQHQPDIJNJ-KKUMJFAQSA-N 2 1 286.485 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000647966524 395789432 /nfs/dbraw/zinc/78/94/32/395789432.db2.gz WYZXIQHQPDIJNJ-KKUMJFAQSA-N 2 1 286.485 2.048 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(OC)C2CC2)C1 ZINC000647910693 395771773 /nfs/dbraw/zinc/77/17/73/395771773.db2.gz ARIBMEMEXRFOTD-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@](C)(OC)C2CC2)C1 ZINC000647910693 395771774 /nfs/dbraw/zinc/77/17/74/395771774.db2.gz ARIBMEMEXRFOTD-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@](C)(OC)C2CC2)C1 ZINC000647910693 395771775 /nfs/dbraw/zinc/77/17/75/395771775.db2.gz ARIBMEMEXRFOTD-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP COc1ccsc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071661 395825883 /nfs/dbraw/zinc/82/58/83/395825883.db2.gz NMRKQAKMFNQURT-UHFFFAOYSA-N 2 1 296.436 2.053 20 0 CEADMP COc1ccsc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071661 395825884 /nfs/dbraw/zinc/82/58/84/395825884.db2.gz NMRKQAKMFNQURT-UHFFFAOYSA-N 2 1 296.436 2.053 20 0 CEADMP CCC(C)(C)NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975822 395793770 /nfs/dbraw/zinc/79/37/70/395793770.db2.gz GMZGGDUBBGDSHI-GJZGRUSLSA-N 2 1 295.471 2.003 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977962 395794446 /nfs/dbraw/zinc/79/44/46/395794446.db2.gz KFCSWABEWLERRY-IRXDYDNUSA-N 3 1 281.488 2.430 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000647987764 395796788 /nfs/dbraw/zinc/79/67/88/395796788.db2.gz YEXWVFODCNSCSD-DLBZAZTESA-N 3 1 279.472 2.230 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1)CC1CC1 ZINC000647989916 395796875 /nfs/dbraw/zinc/79/68/75/395796875.db2.gz DWNRRLLSDJEUQJ-GOSISDBHSA-N 3 1 293.499 2.430 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000647992982 395798277 /nfs/dbraw/zinc/79/82/77/395798277.db2.gz WOEIOZUIQZVIDW-IIAWOOMASA-N 3 1 267.461 2.071 20 0 CEADMP C[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1cc(F)cc(F)c1 ZINC000648385166 395898860 /nfs/dbraw/zinc/89/88/60/395898860.db2.gz BSPAYKMYSXDUGI-RAIGVLPGSA-N 2 1 266.335 2.220 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648419072 395905948 /nfs/dbraw/zinc/90/59/48/395905948.db2.gz IYAYKOLNRDLSAW-SFHVURJKSA-N 2 1 290.451 2.492 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000648845121 395998540 /nfs/dbraw/zinc/99/85/40/395998540.db2.gz APPBZOIPEFKYRY-GDBMZVCRSA-N 2 1 295.471 2.050 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)C[NH+](CC)CC ZINC000648782691 395982891 /nfs/dbraw/zinc/98/28/91/395982891.db2.gz YRLGQWNFJIOANX-ZIAGYGMSSA-N 2 1 294.443 2.243 20 0 CEADMP CC[N@H+]1CCN(C[C@@H]2CCCC[NH+]2C(C)C)C[C@H]1C ZINC000649396037 396140971 /nfs/dbraw/zinc/14/09/71/396140971.db2.gz WRJNQKRDMKQVMG-CVEARBPZSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC000649396037 396140973 /nfs/dbraw/zinc/14/09/73/396140973.db2.gz WRJNQKRDMKQVMG-CVEARBPZSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC000649396037 396140975 /nfs/dbraw/zinc/14/09/75/396140975.db2.gz WRJNQKRDMKQVMG-CVEARBPZSA-N 2 1 267.461 2.275 20 0 CEADMP CN(C)c1ccccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000649409010 396145478 /nfs/dbraw/zinc/14/54/78/396145478.db2.gz WNUWWWLJFWOTJV-UHFFFAOYSA-N 2 1 273.424 2.469 20 0 CEADMP Cc1ccccc1C[N@H+]1CCCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649411654 396146176 /nfs/dbraw/zinc/14/61/76/396146176.db2.gz PKOFHJPOHFGXON-KRWDZBQOSA-N 2 1 287.451 2.112 20 0 CEADMP Cc1ccccc1C[N@H+]1CCCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411655 396146425 /nfs/dbraw/zinc/14/64/25/396146425.db2.gz PKOFHJPOHFGXON-QGZVFWFLSA-N 2 1 287.451 2.112 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@@H](C)CO)CC1 ZINC000649800573 396261155 /nfs/dbraw/zinc/26/11/55/396261155.db2.gz XORDKSXFLZFVAV-AWEZNQCLSA-N 2 1 279.428 2.312 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CC[C@@H]1CCC[NH+]1C)CCOCC2 ZINC000646098028 396292513 /nfs/dbraw/zinc/29/25/13/396292513.db2.gz DSMFEARNCXGMKF-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]1CC2(C[NH+]1CC[C@@H]1CCC[N@@H+]1C)CCOCC2 ZINC000646098028 396292516 /nfs/dbraw/zinc/29/25/16/396292516.db2.gz DSMFEARNCXGMKF-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]1CC2(C[NH+]1CC[C@@H]1CCC[N@H+]1C)CCOCC2 ZINC000646098028 396292518 /nfs/dbraw/zinc/29/25/18/396292518.db2.gz DSMFEARNCXGMKF-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000647179306 396431048 /nfs/dbraw/zinc/43/10/48/396431048.db2.gz OYEXUZPFNUNJQN-NJAFHUGGSA-N 2 1 288.435 2.318 20 0 CEADMP C[C@@H]1SCC[C@@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000647258764 396452270 /nfs/dbraw/zinc/45/22/70/396452270.db2.gz RRGWNYATIVIOAS-JQWIXIFHSA-N 2 1 251.399 2.131 20 0 CEADMP Oc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916520 400121891 /nfs/dbraw/zinc/12/18/91/400121891.db2.gz VEXXPPBUNGGMCR-ZBFHGGJFSA-N 2 1 260.381 2.356 20 0 CEADMP Oc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916520 400121898 /nfs/dbraw/zinc/12/18/98/400121898.db2.gz VEXXPPBUNGGMCR-ZBFHGGJFSA-N 2 1 260.381 2.356 20 0 CEADMP CCN(CC)[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000104178686 400260482 /nfs/dbraw/zinc/26/04/82/400260482.db2.gz VKBLHRCTFBFDOB-INIZCTEOSA-N 2 1 267.461 2.182 20 0 CEADMP CCN(CC)[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000104178686 400260486 /nfs/dbraw/zinc/26/04/86/400260486.db2.gz VKBLHRCTFBFDOB-INIZCTEOSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000309763519 400340669 /nfs/dbraw/zinc/34/06/69/400340669.db2.gz CUZOXBUMVZKHAU-MAUKXSAKSA-N 2 1 298.434 2.361 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000309763519 400340673 /nfs/dbraw/zinc/34/06/73/400340673.db2.gz CUZOXBUMVZKHAU-MAUKXSAKSA-N 2 1 298.434 2.361 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309980287 400342167 /nfs/dbraw/zinc/34/21/67/400342167.db2.gz UPGQWEVLYRQXPG-DOTOQJQBSA-N 3 1 275.440 2.226 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000309980287 400342170 /nfs/dbraw/zinc/34/21/70/400342170.db2.gz UPGQWEVLYRQXPG-DOTOQJQBSA-N 2 1 275.440 2.226 20 0 CEADMP Cc1ncccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000388919414 400535546 /nfs/dbraw/zinc/53/55/46/400535546.db2.gz WINHMPCSIUWHNN-HOTGVXAUSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ncccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000388919414 400535555 /nfs/dbraw/zinc/53/55/55/400535555.db2.gz WINHMPCSIUWHNN-HOTGVXAUSA-N 2 1 259.397 2.354 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000574360044 400606206 /nfs/dbraw/zinc/60/62/06/400606206.db2.gz VVSGTBXCZQGCPT-HOCLYGCPSA-N 2 1 268.445 2.344 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccsc3)C2)C1 ZINC000650706195 400997511 /nfs/dbraw/zinc/99/75/11/400997511.db2.gz GHKOKYLSGVGSTH-RRFJBIMHSA-N 2 1 280.437 2.466 20 0 CEADMP CCO[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000650714674 401004682 /nfs/dbraw/zinc/00/46/82/401004682.db2.gz XXGDRMZCXOGAAW-RAQZUPNJSA-N 2 1 278.371 2.135 20 0 CEADMP CCO[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000650714674 401004684 /nfs/dbraw/zinc/00/46/84/401004684.db2.gz XXGDRMZCXOGAAW-RAQZUPNJSA-N 2 1 278.371 2.135 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000650740909 401015822 /nfs/dbraw/zinc/01/58/22/401015822.db2.gz UGECWSHQXBMQHQ-HUUCEWRRSA-N 2 1 255.450 2.214 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000650740010 401016661 /nfs/dbraw/zinc/01/66/61/401016661.db2.gz DSFSJMMKCJQMAT-GJZGRUSLSA-N 2 1 255.450 2.071 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000650740010 401016669 /nfs/dbraw/zinc/01/66/69/401016669.db2.gz DSFSJMMKCJQMAT-GJZGRUSLSA-N 3 1 255.450 2.071 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000650740010 401016675 /nfs/dbraw/zinc/01/66/75/401016675.db2.gz DSFSJMMKCJQMAT-GJZGRUSLSA-N 3 1 255.450 2.071 20 0 CEADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650754067 401030903 /nfs/dbraw/zinc/03/09/03/401030903.db2.gz AJCLFJBCSOISOS-LLVKDONJSA-N 2 1 274.343 2.234 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)[C@H]2CCC[C@@H]21 ZINC000650755524 401032622 /nfs/dbraw/zinc/03/26/22/401032622.db2.gz GXMPACUZLFRMAP-PVAVHDDUSA-N 3 1 291.414 2.247 20 0 CEADMP C[N@@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2F)[C@H]2CCC[C@@H]21 ZINC000650755524 401032624 /nfs/dbraw/zinc/03/26/24/401032624.db2.gz GXMPACUZLFRMAP-PVAVHDDUSA-N 2 1 291.414 2.247 20 0 CEADMP C[N@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2F)[C@H]2CCC[C@@H]21 ZINC000650755524 401032627 /nfs/dbraw/zinc/03/26/27/401032627.db2.gz GXMPACUZLFRMAP-PVAVHDDUSA-N 2 1 291.414 2.247 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000650756020 401033216 /nfs/dbraw/zinc/03/32/16/401033216.db2.gz RSVYGNJAZNSIHS-HNAYVOBHSA-N 3 1 297.446 2.454 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)N ZINC000650756020 401033225 /nfs/dbraw/zinc/03/32/25/401033225.db2.gz RSVYGNJAZNSIHS-HNAYVOBHSA-N 2 1 297.446 2.454 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000650755506 401033370 /nfs/dbraw/zinc/03/33/70/401033370.db2.gz GQKZKNDRFVYFDA-WFASDCNBSA-N 2 1 270.380 2.398 20 0 CEADMP N[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)c2ccccc21 ZINC000650762178 401036631 /nfs/dbraw/zinc/03/66/31/401036631.db2.gz VZSZZMAFTPSGFF-HOTGVXAUSA-N 2 1 259.397 2.111 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000359965266 155181635 /nfs/dbraw/zinc/18/16/35/155181635.db2.gz YBFTUPSYPUYICI-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000359965266 155181637 /nfs/dbraw/zinc/18/16/37/155181637.db2.gz YBFTUPSYPUYICI-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000359965266 155181641 /nfs/dbraw/zinc/18/16/41/155181641.db2.gz YBFTUPSYPUYICI-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)C[NH+](C)CC1(C[N@H+](C)CC(C)C)COC1 ZINC000360005390 155189067 /nfs/dbraw/zinc/18/90/67/155189067.db2.gz SCEHPPHLLWJKPZ-UHFFFAOYSA-N 2 1 256.434 2.179 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651708898 401375852 /nfs/dbraw/zinc/37/58/52/401375852.db2.gz FGEFKQYYKIUGHF-LBPRGKRZSA-N 2 1 259.353 2.259 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651708898 401375854 /nfs/dbraw/zinc/37/58/54/401375854.db2.gz FGEFKQYYKIUGHF-LBPRGKRZSA-N 2 1 259.353 2.259 20 0 CEADMP C=Cn1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)cn1 ZINC000651865791 401406275 /nfs/dbraw/zinc/40/62/75/401406275.db2.gz HXXCABYISKNZKK-UHFFFAOYSA-N 2 1 250.390 2.051 20 0 CEADMP C=Cn1cc(C[NH2+]CCC[N@H+](C)CC(C)C)cn1 ZINC000651865791 401406280 /nfs/dbraw/zinc/40/62/80/401406280.db2.gz HXXCABYISKNZKK-UHFFFAOYSA-N 2 1 250.390 2.051 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc(N(C)C)s1 ZINC000651866427 401406628 /nfs/dbraw/zinc/40/66/28/401406628.db2.gz DHMCVRMOMAPOIN-UHFFFAOYSA-N 2 1 284.473 2.277 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc(N(C)C)s1 ZINC000651866427 401406630 /nfs/dbraw/zinc/40/66/30/401406630.db2.gz DHMCVRMOMAPOIN-UHFFFAOYSA-N 2 1 284.473 2.277 20 0 CEADMP C1CC1[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCOCC1 ZINC000651930542 401416783 /nfs/dbraw/zinc/41/67/83/401416783.db2.gz WJYKIBNMFVSJRT-QGZVFWFLSA-N 2 1 278.440 2.408 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652221934 401467152 /nfs/dbraw/zinc/46/71/52/401467152.db2.gz AILSQDUNZVTSOM-ZDUSSCGKSA-N 2 1 266.433 2.357 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000652221934 401467154 /nfs/dbraw/zinc/46/71/54/401467154.db2.gz AILSQDUNZVTSOM-ZDUSSCGKSA-N 2 1 266.433 2.357 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](CO)CCF ZINC000652306121 401483833 /nfs/dbraw/zinc/48/38/33/401483833.db2.gz OOZHZJVXAIKKMM-OIISXLGYSA-N 2 1 294.414 2.207 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](CO)CCF ZINC000652306121 401483834 /nfs/dbraw/zinc/48/38/34/401483834.db2.gz OOZHZJVXAIKKMM-OIISXLGYSA-N 2 1 294.414 2.207 20 0 CEADMP C[C@H](c1cccnc1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349040 401491834 /nfs/dbraw/zinc/49/18/34/401491834.db2.gz ZWUZEWFLCDDFIV-XBVQOTNRSA-N 2 1 289.423 2.361 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@H]1CC[NH3+] ZINC000652356082 401493074 /nfs/dbraw/zinc/49/30/74/401493074.db2.gz RRPWOXZCLAUEQC-KDOFPFPSSA-N 3 1 287.451 2.282 20 0 CEADMP CC(C)OCCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363001 401494870 /nfs/dbraw/zinc/49/48/70/401494870.db2.gz VHYUOVBATONJEA-ARFHVFGLSA-N 2 1 284.444 2.162 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C)n1 ZINC000346842537 286206159 /nfs/dbraw/zinc/20/61/59/286206159.db2.gz IGEGVIHUKIZNHK-BPUTZDHNSA-N 2 1 289.423 2.266 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000307842552 289276055 /nfs/dbraw/zinc/27/60/55/289276055.db2.gz FIZFPKKVEQWION-ZIAGYGMSSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000307842552 289276057 /nfs/dbraw/zinc/27/60/57/289276057.db2.gz FIZFPKKVEQWION-ZIAGYGMSSA-N 2 1 256.434 2.057 20 0 CEADMP c1ccc(CCOCCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360553098 155327536 /nfs/dbraw/zinc/32/75/36/155327536.db2.gz QQZGEYKDWQWAIC-GOSISDBHSA-N 2 1 288.435 2.321 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)cn1 ZINC000414139157 286315303 /nfs/dbraw/zinc/31/53/03/286315303.db2.gz HJVFSEXQJSTMDS-KBPBESRZSA-N 2 1 279.428 2.340 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cn1 ZINC000414139157 286315305 /nfs/dbraw/zinc/31/53/05/286315305.db2.gz HJVFSEXQJSTMDS-KBPBESRZSA-N 2 1 279.428 2.340 20 0 CEADMP Cn1ccc(CN2C[C@H]3[C@@H](C2)C[N@@H+](C)[C@@H]3c2ccccc2)n1 ZINC000360776515 155369203 /nfs/dbraw/zinc/36/92/03/155369203.db2.gz DZVPVVIBGIFCGK-BPQIPLTHSA-N 2 1 296.418 2.155 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCC(C)CC1 ZINC000192773835 153219046 /nfs/dbraw/zinc/21/90/46/153219046.db2.gz NMLDJYRMNOSTGA-MGNMYUMUSA-N 2 1 279.472 2.322 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]CC3=CCCOC3)C2)cc1 ZINC000192919845 153223051 /nfs/dbraw/zinc/22/30/51/153223051.db2.gz XMAHJEWFLWECSW-QGZVFWFLSA-N 2 1 286.419 2.445 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000192920870 153223436 /nfs/dbraw/zinc/22/34/36/153223436.db2.gz TYAWHRBYPKBKGD-IAGOWNOFSA-N 2 1 274.408 2.277 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000193910519 153245892 /nfs/dbraw/zinc/24/58/92/153245892.db2.gz CXKFHVAOJMTTOO-HNNXBMFYSA-N 2 1 275.396 2.367 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cn1 ZINC000221909513 153313921 /nfs/dbraw/zinc/31/39/21/153313921.db2.gz NUPNQNHHBNEROW-CYBMUJFWSA-N 2 1 252.406 2.284 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cn1 ZINC000221909513 153313924 /nfs/dbraw/zinc/31/39/24/153313924.db2.gz NUPNQNHHBNEROW-CYBMUJFWSA-N 2 1 252.406 2.284 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000223562920 153317171 /nfs/dbraw/zinc/31/71/71/153317171.db2.gz FQJPFMBVTGVBAI-CQSZACIVSA-N 2 1 254.349 2.337 20 0 CEADMP CC(C)n1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000226240956 153330219 /nfs/dbraw/zinc/33/02/19/153330219.db2.gz OBYPMSPYVLUCSB-CYBMUJFWSA-N 2 1 262.401 2.038 20 0 CEADMP CC(C)n1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000226240956 153330224 /nfs/dbraw/zinc/33/02/24/153330224.db2.gz OBYPMSPYVLUCSB-CYBMUJFWSA-N 2 1 262.401 2.038 20 0 CEADMP CC(C)n1cc(C[NH2+]CC(C)(C)C[NH+](C)C)cn1 ZINC000226237470 153332643 /nfs/dbraw/zinc/33/26/43/153332643.db2.gz MROAGJKJXNOYOW-UHFFFAOYSA-N 2 1 252.406 2.141 20 0 CEADMP C[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000228068802 153355528 /nfs/dbraw/zinc/35/55/28/153355528.db2.gz AXYWYOCIWCQCIN-CVEARBPZSA-N 2 1 290.451 2.443 20 0 CEADMP C[C@H](O)C[C@H]1CCC[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000228731694 153368747 /nfs/dbraw/zinc/36/87/47/153368747.db2.gz MJQRFITYSYFZRW-SOUVJXGZSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](O)C[C@H]1CCC[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000228731694 153368750 /nfs/dbraw/zinc/36/87/50/153368750.db2.gz MJQRFITYSYFZRW-SOUVJXGZSA-N 2 1 254.418 2.096 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229091757 153370601 /nfs/dbraw/zinc/37/06/01/153370601.db2.gz STZPPWUGRHODFL-HOTGVXAUSA-N 2 1 297.487 2.332 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229091757 153370605 /nfs/dbraw/zinc/37/06/05/153370605.db2.gz STZPPWUGRHODFL-HOTGVXAUSA-N 2 1 297.487 2.332 20 0 CEADMP CCCC[NH+]1CCC(N[C@H]2C[N@@H+](CC)C[C@H]2C)CC1 ZINC000360862532 155387968 /nfs/dbraw/zinc/38/79/68/155387968.db2.gz WBXZYDRJCJQOLZ-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP COc1ccc2c(c1)CC[N@@H+](C[C@@H]([NH3+])CC(C)C)CC2 ZINC000414736738 286396042 /nfs/dbraw/zinc/39/60/42/286396042.db2.gz CWBMSYKQIYCRPK-INIZCTEOSA-N 2 1 276.424 2.469 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@@H]([NH3+])CC(C)C)CC2 ZINC000414736738 286396043 /nfs/dbraw/zinc/39/60/43/286396043.db2.gz CWBMSYKQIYCRPK-INIZCTEOSA-N 2 1 276.424 2.469 20 0 CEADMP c1ccc2c(c1)CCC[C@H]2[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261609305 153788634 /nfs/dbraw/zinc/78/86/34/153788634.db2.gz DPXRKECSYAELES-SJLPKXTDSA-N 2 1 285.435 2.044 20 0 CEADMP COc1c(C)cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1C ZINC000261644987 153796756 /nfs/dbraw/zinc/79/67/56/153796756.db2.gz DSMFIFUBFDFZQN-MRXNPFEDSA-N 2 1 262.397 2.483 20 0 CEADMP [NH3+]CC[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000262937956 154000323 /nfs/dbraw/zinc/00/03/23/154000323.db2.gz IOCUQSJITVGHJS-UHFFFAOYSA-N 2 1 260.381 2.325 20 0 CEADMP [NH3+]CC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000262937956 154000327 /nfs/dbraw/zinc/00/03/27/154000327.db2.gz IOCUQSJITVGHJS-UHFFFAOYSA-N 2 1 260.381 2.325 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)C[C@H]21 ZINC000346816831 154300738 /nfs/dbraw/zinc/30/07/38/154300738.db2.gz BAAAYTGSQFNVHC-RRFJBIMHSA-N 2 1 270.380 2.122 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]Cc2cccc3cccnc32)CC1 ZINC000351502234 154316340 /nfs/dbraw/zinc/31/63/40/154316340.db2.gz KZOLAENLXNLYSJ-UHFFFAOYSA-N 2 1 299.418 2.171 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000351858353 154318559 /nfs/dbraw/zinc/31/85/59/154318559.db2.gz YSBCBNRLPNUGDM-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000351858353 154318565 /nfs/dbraw/zinc/31/85/65/154318565.db2.gz YSBCBNRLPNUGDM-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP COCCC(C)(C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352734396 154330018 /nfs/dbraw/zinc/33/00/18/154330018.db2.gz XLANYICRLGQMLB-UHFFFAOYSA-N 2 1 285.457 2.357 20 0 CEADMP COCCC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352752949 154332290 /nfs/dbraw/zinc/33/22/90/154332290.db2.gz ZRTWGHRIEWQAKQ-UHFFFAOYSA-N 2 1 283.441 2.111 20 0 CEADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+]CC2(C)COC2)C1 ZINC000352777134 154338203 /nfs/dbraw/zinc/33/82/03/154338203.db2.gz ALEHMLBTUQDKOK-KBPBESRZSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@]1(CCc2ccccc2)CC[N@@H+](CCOCC[NH3+])C1 ZINC000357074313 154373150 /nfs/dbraw/zinc/37/31/50/154373150.db2.gz FVFMZDZLQIRZRB-QGZVFWFLSA-N 2 1 276.424 2.307 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000359555955 155051636 /nfs/dbraw/zinc/05/16/36/155051636.db2.gz LIGPIQUAMQAMRY-KGLIPLIRSA-N 2 1 295.427 2.167 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCN(C)c1ccccc1 ZINC000359578776 155058036 /nfs/dbraw/zinc/05/80/36/155058036.db2.gz CBNXHELSCVONIX-NVXWUHKLSA-N 2 1 275.440 2.443 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC000359773046 155127006 /nfs/dbraw/zinc/12/70/06/155127006.db2.gz HQTIPQUKCUOMDI-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000359773046 155127007 /nfs/dbraw/zinc/12/70/07/155127007.db2.gz HQTIPQUKCUOMDI-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000359773046 155127008 /nfs/dbraw/zinc/12/70/08/155127008.db2.gz HQTIPQUKCUOMDI-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP c1ccc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)nc1 ZINC000363259588 156018062 /nfs/dbraw/zinc/01/80/62/156018062.db2.gz PHFRAMKKZPAEJB-DJIMGWMZSA-N 2 1 271.408 2.040 20 0 CEADMP c1ccc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)nc1 ZINC000363259588 156018066 /nfs/dbraw/zinc/01/80/66/156018066.db2.gz PHFRAMKKZPAEJB-DJIMGWMZSA-N 2 1 271.408 2.040 20 0 CEADMP c1ccc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)nc1 ZINC000363259588 156018068 /nfs/dbraw/zinc/01/80/68/156018068.db2.gz PHFRAMKKZPAEJB-DJIMGWMZSA-N 2 1 271.408 2.040 20 0 CEADMP CCCNC(=[NH2+])NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366822715 156087348 /nfs/dbraw/zinc/08/73/48/156087348.db2.gz RGYLPNGMFXZYTC-QGZVFWFLSA-N 2 1 288.439 2.423 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CCOCC2)CC1 ZINC000367445790 156188603 /nfs/dbraw/zinc/18/86/03/156188603.db2.gz AQNNJJQBASBEKI-UHFFFAOYSA-N 2 1 277.412 2.474 20 0 CEADMP CCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367625814 156217554 /nfs/dbraw/zinc/21/75/54/156217554.db2.gz ZAYBXEDWHMWXQJ-XHSDSOJGSA-N 2 1 289.423 2.443 20 0 CEADMP CCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367625814 156217556 /nfs/dbraw/zinc/21/75/56/156217556.db2.gz ZAYBXEDWHMWXQJ-XHSDSOJGSA-N 2 1 289.423 2.443 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)CO)[C@@H]2CCC[C@@H]21 ZINC000367615815 156217619 /nfs/dbraw/zinc/21/76/19/156217619.db2.gz MGKJPKQSEARGDU-KKUMJFAQSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@@H+](CCNc1cc[nH+]cc1-c1cccnc1)C1CC1 ZINC000367712289 156227960 /nfs/dbraw/zinc/22/79/60/156227960.db2.gz IUGAFRUHQFHEDB-UHFFFAOYSA-N 2 1 268.364 2.072 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000367823060 156242769 /nfs/dbraw/zinc/24/27/69/156242769.db2.gz NVPNSJUTTQSZTG-INIZCTEOSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000367823060 156242770 /nfs/dbraw/zinc/24/27/70/156242770.db2.gz NVPNSJUTTQSZTG-INIZCTEOSA-N 2 1 277.412 2.330 20 0 CEADMP C[C@@H]([NH2+]CC1(O)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374879432 157023311 /nfs/dbraw/zinc/02/33/11/157023311.db2.gz TXLSKAXSZUBIMZ-NVXWUHKLSA-N 2 1 288.435 2.402 20 0 CEADMP CCn1cc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000375723295 157131340 /nfs/dbraw/zinc/13/13/40/157131340.db2.gz OWPJGJCRVBLCOG-KRWDZBQOSA-N 2 1 290.455 2.253 20 0 CEADMP CCn1cc(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000375723295 157131342 /nfs/dbraw/zinc/13/13/42/157131342.db2.gz OWPJGJCRVBLCOG-KRWDZBQOSA-N 2 1 290.455 2.253 20 0 CEADMP CO[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)CC1 ZINC000376283298 157207067 /nfs/dbraw/zinc/20/70/67/157207067.db2.gz DFSACRRDSUXJBA-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CO[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)CC1 ZINC000376283298 157207069 /nfs/dbraw/zinc/20/70/69/157207069.db2.gz DFSACRRDSUXJBA-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC000376442248 157225276 /nfs/dbraw/zinc/22/52/76/157225276.db2.gz MLDOQCZVYWGQGD-CHWSQXEVSA-N 2 1 273.384 2.013 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCCCCO ZINC000376549367 157244884 /nfs/dbraw/zinc/24/48/84/157244884.db2.gz XGZFYIANAPNKCM-IKGGRYGDSA-N 2 1 298.471 2.018 20 0 CEADMP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cnn(C)c1 ZINC000165270862 162344702 /nfs/dbraw/zinc/34/47/02/162344702.db2.gz VCTJNKPAUUHHSK-ZFWWWQNUSA-N 2 1 264.417 2.193 20 0 CEADMP CCN(C(=O)CC[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000165947239 162347612 /nfs/dbraw/zinc/34/76/12/162347612.db2.gz NVWOCPMMKIMZDP-GOEBONIOSA-N 2 1 289.423 2.019 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000168657105 162368737 /nfs/dbraw/zinc/36/87/37/162368737.db2.gz KQLNLSPBFICDSN-VXGBXAGGSA-N 2 1 295.814 2.338 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000168650712 162369388 /nfs/dbraw/zinc/36/93/88/162369388.db2.gz PVGGZZPJNMLXFP-ZFWWWQNUSA-N 2 1 270.380 2.041 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168649837 162369464 /nfs/dbraw/zinc/36/94/64/162369464.db2.gz KIXSMXRGOFTEPP-KGLIPLIRSA-N 2 1 278.396 2.133 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173618757 165079619 /nfs/dbraw/zinc/07/96/19/165079619.db2.gz WHGOZOPIYFKBKK-KBPBESRZSA-N 2 1 283.460 2.142 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000177211553 165188604 /nfs/dbraw/zinc/18/86/04/165188604.db2.gz MLTVVUAYEUQBRE-CQSZACIVSA-N 2 1 280.412 2.314 20 0 CEADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCCC1 ZINC000178522644 165245613 /nfs/dbraw/zinc/24/56/13/165245613.db2.gz VYCKCSNDRYYUKU-ZDUSSCGKSA-N 2 1 254.418 2.002 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000178593710 165248242 /nfs/dbraw/zinc/24/82/42/165248242.db2.gz HWXNMCLQSVAVEX-JSGCOSHPSA-N 2 1 280.387 2.449 20 0 CEADMP COc1ccc(COCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000179463604 165281640 /nfs/dbraw/zinc/28/16/40/165281640.db2.gz JUUCIWBNZLHJEL-HOCLYGCPSA-N 2 1 292.423 2.284 20 0 CEADMP C[NH+]1CCC(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000037266980 173076460 /nfs/dbraw/zinc/07/64/60/173076460.db2.gz IADFURJSUNMRFR-GOSISDBHSA-N 2 1 287.451 2.335 20 0 CEADMP C[NH+]1CCC(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000037266980 173076463 /nfs/dbraw/zinc/07/64/63/173076463.db2.gz IADFURJSUNMRFR-GOSISDBHSA-N 2 1 287.451 2.335 20 0 CEADMP COC[C@H](C)[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285744737 196385141 /nfs/dbraw/zinc/38/51/41/196385141.db2.gz RHXIYNRILMOXCL-ZDUSSCGKSA-N 2 1 254.374 2.068 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc1F ZINC000038041209 174042184 /nfs/dbraw/zinc/04/21/84/174042184.db2.gz VMCRQLQLRXREID-JTQLQIEISA-N 2 1 252.333 2.237 20 0 CEADMP CC(C)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660371252 414788590 /nfs/dbraw/zinc/78/85/90/414788590.db2.gz OWQKLLWXGWNILW-GJZGRUSLSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000660371252 414788597 /nfs/dbraw/zinc/78/85/97/414788597.db2.gz OWQKLLWXGWNILW-GJZGRUSLSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660371252 414788604 /nfs/dbraw/zinc/78/86/04/414788604.db2.gz OWQKLLWXGWNILW-GJZGRUSLSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402877237 414761829 /nfs/dbraw/zinc/76/18/29/414761829.db2.gz CSDJKQNCHOIIFB-ZQIUZPCESA-N 2 1 287.407 2.074 20 0 CEADMP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402877237 414761833 /nfs/dbraw/zinc/76/18/33/414761833.db2.gz CSDJKQNCHOIIFB-ZQIUZPCESA-N 2 1 287.407 2.074 20 0 CEADMP CC[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000404047932 414771506 /nfs/dbraw/zinc/77/15/06/414771506.db2.gz IEFKSTBKKJVKEA-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+](CC[NH2+][C@H]1CCOC(C)(C)C1)C1CCCC1 ZINC000070362055 414772210 /nfs/dbraw/zinc/77/22/10/414772210.db2.gz DELNJWROONGWRS-ZDUSSCGKSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@@H+](CC[NH2+][C@H]1CCOC(C)(C)C1)C1CCCC1 ZINC000070362055 414772212 /nfs/dbraw/zinc/77/22/12/414772212.db2.gz DELNJWROONGWRS-ZDUSSCGKSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccc(OC)c(OC)c2)CC[C@@H]1[NH3+] ZINC000122271919 414789560 /nfs/dbraw/zinc/78/95/60/414789560.db2.gz BCQRGEJRDDEJAS-KBPBESRZSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@@H]1CCC[N@H+](CC(=O)NC2CCCCCC2)[C@@H]1CC[NH3+] ZINC000404340473 414781068 /nfs/dbraw/zinc/78/10/68/414781068.db2.gz DPPYUCKWAIFNDN-GDBMZVCRSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCCC2)[C@@H]1CC[NH3+] ZINC000404340473 414781073 /nfs/dbraw/zinc/78/10/73/414781073.db2.gz DPPYUCKWAIFNDN-GDBMZVCRSA-N 2 1 295.471 2.275 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2)CC[C@@H]1[NH3+] ZINC000122271919 414789565 /nfs/dbraw/zinc/78/95/65/414789565.db2.gz BCQRGEJRDDEJAS-KBPBESRZSA-N 2 1 278.396 2.263 20 0 CEADMP Cc1csc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])n1 ZINC000404380030 414784316 /nfs/dbraw/zinc/78/43/16/414784316.db2.gz MBWUZRIHBHBWIW-CMPLNLGQSA-N 2 1 253.415 2.401 20 0 CEADMP Cc1csc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])n1 ZINC000404380030 414784320 /nfs/dbraw/zinc/78/43/20/414784320.db2.gz MBWUZRIHBHBWIW-CMPLNLGQSA-N 2 1 253.415 2.401 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121122538 414784896 /nfs/dbraw/zinc/78/48/96/414784896.db2.gz UMEJNDDNGZWIEH-QPSCCSFWSA-N 2 1 266.429 2.264 20 0 CEADMP C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000121185599 414785729 /nfs/dbraw/zinc/78/57/29/414785729.db2.gz AMSVFGBAOIZXAD-HJWJTTGWSA-N 2 1 290.451 2.408 20 0 CEADMP CC[C@H]1C[N@@H+](CCOc2cccc(C)c2)CC[C@@H]1[NH3+] ZINC000122846881 414790681 /nfs/dbraw/zinc/79/06/81/414790681.db2.gz IWQNFZYEEPWBHO-HOCLYGCPSA-N 2 1 262.397 2.433 20 0 CEADMP C[N@@H+](CCC[NH3+])CCOc1ccc2ccccc2c1 ZINC000123354394 414794693 /nfs/dbraw/zinc/79/46/93/414794693.db2.gz VAKLTDWPOKPNGI-UHFFFAOYSA-N 2 1 258.365 2.499 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000129077282 414810892 /nfs/dbraw/zinc/81/08/92/414810892.db2.gz YXRSESXPHYZYJM-DZGCQCFKSA-N 2 1 270.380 2.184 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000129077282 414810897 /nfs/dbraw/zinc/81/08/97/414810897.db2.gz YXRSESXPHYZYJM-DZGCQCFKSA-N 2 1 270.380 2.184 20 0 CEADMP CCCC[NH+]1CCC([NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657335413 414867124 /nfs/dbraw/zinc/86/71/24/414867124.db2.gz JFNKETKMGIHAMR-UHFFFAOYSA-N 2 1 276.428 2.183 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[N@H+](C3CC3)C[C@H](C)C2)C1 ZINC000660644668 414913039 /nfs/dbraw/zinc/91/30/39/414913039.db2.gz JFPSTTUNVAFXDO-BRWVUGGUSA-N 2 1 293.499 2.380 20 0 CEADMP Cc1ncc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)s1 ZINC000660656991 414919757 /nfs/dbraw/zinc/91/97/57/414919757.db2.gz ZDZCNDWUWHJURN-CQSZACIVSA-N 2 1 265.426 2.369 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655395 414920221 /nfs/dbraw/zinc/92/02/21/414920221.db2.gz LYIWUIPGABKZPU-WMLDXEAASA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ncccc1CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660665143 414927673 /nfs/dbraw/zinc/92/76/73/414927673.db2.gz UUXPZDRZIIZYQA-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ncccc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665143 414927677 /nfs/dbraw/zinc/92/76/77/414927677.db2.gz UUXPZDRZIIZYQA-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ncccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660665143 414927678 /nfs/dbraw/zinc/92/76/78/414927678.db2.gz UUXPZDRZIIZYQA-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ncccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665143 414927681 /nfs/dbraw/zinc/92/76/81/414927681.db2.gz UUXPZDRZIIZYQA-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ncccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665143 414927686 /nfs/dbraw/zinc/92/76/86/414927686.db2.gz UUXPZDRZIIZYQA-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1[nH+]ccn1CCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675365 414929752 /nfs/dbraw/zinc/92/97/52/414929752.db2.gz JBTZMPGOUYQNFL-UHFFFAOYSA-N 2 1 298.434 2.446 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CO[C@@H](CC)C2)[C@@H](C)C1 ZINC000657362411 414888133 /nfs/dbraw/zinc/88/81/33/414888133.db2.gz BZIUJDRAVZRWRE-QAETUUGQSA-N 2 1 298.471 2.281 20 0 CEADMP [NH3+][C@@H]1CN(c2cc[nH+]c3ccsc32)CC[C@H]1F ZINC000663240061 414892189 /nfs/dbraw/zinc/89/21/89/414892189.db2.gz FMQBLICQRWVUAM-RKDXNWHRSA-N 2 1 251.330 2.172 20 0 CEADMP COc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c(OC)c1OC ZINC000663499290 414970845 /nfs/dbraw/zinc/97/08/45/414970845.db2.gz XDTYRGMPUWMDSB-CYBMUJFWSA-N 2 1 296.411 2.175 20 0 CEADMP CCC(CC)CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000663501517 414974169 /nfs/dbraw/zinc/97/41/69/414974169.db2.gz XGOLHZXYNODSAB-INIZCTEOSA-N 2 1 297.487 2.332 20 0 CEADMP COC1CC(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000657529753 414987911 /nfs/dbraw/zinc/98/79/11/414987911.db2.gz ZHHBKMVJYLNONH-PIOWNMBXSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1cc(CO)cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)[nH+]1 ZINC000663644032 415002158 /nfs/dbraw/zinc/00/21/58/415002158.db2.gz PJXHEFHQLBCBHC-MRXNPFEDSA-N 2 1 289.423 2.337 20 0 CEADMP Cc1ccncc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657589426 415013582 /nfs/dbraw/zinc/01/35/82/415013582.db2.gz ZFHIULYYGOUVNF-CVEARBPZSA-N 2 1 259.397 2.149 20 0 CEADMP CC[N@@H+](CCCNC(=O)C[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000653200876 414944655 /nfs/dbraw/zinc/94/46/55/414944655.db2.gz SNGPQJKETNDYFN-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468276 414962227 /nfs/dbraw/zinc/96/22/27/414962227.db2.gz LHABGSFMZFIRTH-DOTOQJQBSA-N 2 1 290.455 2.373 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+](CC3CC3)C2)CC[N@H+]1C ZINC000663471295 414965857 /nfs/dbraw/zinc/96/58/57/414965857.db2.gz XKBUVLMZMNXFMH-OIISXLGYSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC[NH+]1C ZINC000663471295 414965865 /nfs/dbraw/zinc/96/58/65/414965865.db2.gz XKBUVLMZMNXFMH-OIISXLGYSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH+](CC3CC3)C2)CC[N@@H+]1C ZINC000663471295 414965869 /nfs/dbraw/zinc/96/58/69/414965869.db2.gz XKBUVLMZMNXFMH-OIISXLGYSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH+](CC3CC3)C2)CC[N@H+]1C ZINC000663471295 414965873 /nfs/dbraw/zinc/96/58/73/414965873.db2.gz XKBUVLMZMNXFMH-OIISXLGYSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC[NH+]1C ZINC000663471295 414965879 /nfs/dbraw/zinc/96/58/79/414965879.db2.gz XKBUVLMZMNXFMH-OIISXLGYSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC[NH+]1C ZINC000663471295 414965883 /nfs/dbraw/zinc/96/58/83/414965883.db2.gz XKBUVLMZMNXFMH-OIISXLGYSA-N 3 1 279.472 2.181 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000653600604 415051591 /nfs/dbraw/zinc/05/15/91/415051591.db2.gz JFFDRFRSWCHRBN-GDBMZVCRSA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000653600604 415051594 /nfs/dbraw/zinc/05/15/94/415051594.db2.gz JFFDRFRSWCHRBN-GDBMZVCRSA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2cccc(C)c2)C1 ZINC000653612947 415053280 /nfs/dbraw/zinc/05/32/80/415053280.db2.gz NTAWVTBGEVTYEK-IRXDYDNUSA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000653612947 415053284 /nfs/dbraw/zinc/05/32/84/415053284.db2.gz NTAWVTBGEVTYEK-IRXDYDNUSA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000653612947 415053288 /nfs/dbraw/zinc/05/32/88/415053288.db2.gz NTAWVTBGEVTYEK-IRXDYDNUSA-N 2 1 276.424 2.097 20 0 CEADMP CCC[C@@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751001 415069219 /nfs/dbraw/zinc/06/92/19/415069219.db2.gz MPOATFUPTBOCPV-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1[nH+]ccc2[nH]ccc21 ZINC000663854183 415072708 /nfs/dbraw/zinc/07/27/08/415072708.db2.gz OCTJCHZXGWJIHS-UHFFFAOYSA-N 2 1 288.395 2.110 20 0 CEADMP CO[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)CC1(C)C ZINC000653748639 415092491 /nfs/dbraw/zinc/09/24/91/415092491.db2.gz XZVIAOMLFWFCMK-AWEZNQCLSA-N 2 1 265.401 2.100 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)CC1(C)C ZINC000653748639 415092493 /nfs/dbraw/zinc/09/24/93/415092493.db2.gz XZVIAOMLFWFCMK-AWEZNQCLSA-N 2 1 265.401 2.100 20 0 CEADMP CC[N@H+]1C[C@H](C)N(c2[nH+]ccc3[nH]ccc32)C[C@@H]1C ZINC000663759958 415040842 /nfs/dbraw/zinc/04/08/42/415040842.db2.gz OSXQIKTWMGHNCW-RYUDHWBXSA-N 2 1 258.369 2.482 20 0 CEADMP C([NH2+][C@@H]1CCCSCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000657834886 415098560 /nfs/dbraw/zinc/09/85/60/415098560.db2.gz MNLIXMQJKZZEJW-QWHCGFSZSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]C[C@H](O)C[NH+](C)C ZINC000657875615 415111278 /nfs/dbraw/zinc/11/12/78/415111278.db2.gz MWJFUBFIULUNAT-KDOFPFPSSA-N 2 1 290.451 2.009 20 0 CEADMP COC1([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CCC1 ZINC000657993047 415147295 /nfs/dbraw/zinc/14/72/95/415147295.db2.gz VQGWVUJABNOXJX-GJZGRUSLSA-N 2 1 284.444 2.035 20 0 CEADMP COC1([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CCC1 ZINC000657993047 415147300 /nfs/dbraw/zinc/14/73/00/415147300.db2.gz VQGWVUJABNOXJX-GJZGRUSLSA-N 2 1 284.444 2.035 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000658036115 415167143 /nfs/dbraw/zinc/16/71/43/415167143.db2.gz UQVQCEDNMGOAQN-UONOGXRCSA-N 2 1 262.401 2.040 20 0 CEADMP COC1CC(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000658060397 415181592 /nfs/dbraw/zinc/18/15/92/415181592.db2.gz NJKOHOVEMNSHDL-WIHSUSGWSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000104140384 287297956 /nfs/dbraw/zinc/29/79/56/287297956.db2.gz XUUSCSZNPMJDNC-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](CNc2ncnc3[nH]ccc32)C1 ZINC000664138398 415187352 /nfs/dbraw/zinc/18/73/52/415187352.db2.gz PILBKOACXIDGSU-NSHDSACASA-N 2 1 273.384 2.490 20 0 CEADMP CC(C)(C)[N@@H+]1CC[C@@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000664138398 415187359 /nfs/dbraw/zinc/18/73/59/415187359.db2.gz PILBKOACXIDGSU-NSHDSACASA-N 2 1 273.384 2.490 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000664138398 415187363 /nfs/dbraw/zinc/18/73/63/415187363.db2.gz PILBKOACXIDGSU-NSHDSACASA-N 2 1 273.384 2.490 20 0 CEADMP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044513307 175188799 /nfs/dbraw/zinc/18/87/99/175188799.db2.gz PNXXNQHIGFIRRE-UHFFFAOYSA-N 2 1 295.814 2.258 20 0 CEADMP C[C@@]12COC[C@]1(C)C[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000661489532 415284902 /nfs/dbraw/zinc/28/49/02/415284902.db2.gz GRBNCICEFJLVEL-IYBDPMFKSA-N 2 1 266.429 2.221 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661469610 415276404 /nfs/dbraw/zinc/27/64/04/415276404.db2.gz OERTUWRHNIKTMY-CYBMUJFWSA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000661469610 415276410 /nfs/dbraw/zinc/27/64/10/415276410.db2.gz OERTUWRHNIKTMY-CYBMUJFWSA-N 2 1 263.385 2.225 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[C@H]1C ZINC000658134479 415224296 /nfs/dbraw/zinc/22/42/96/415224296.db2.gz ABHKAYAQYBHNEW-NONVJHHQSA-N 2 1 288.435 2.387 20 0 CEADMP C1=CC[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655700540 415398039 /nfs/dbraw/zinc/39/80/39/415398039.db2.gz MIYUOPIRFIASCY-GDBMZVCRSA-N 2 1 264.413 2.186 20 0 CEADMP CCC(CC)(CCO)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655719862 415411604 /nfs/dbraw/zinc/41/16/04/415411604.db2.gz ZBDQRZCPKIMHLD-MRXNPFEDSA-N 2 1 298.471 2.018 20 0 CEADMP COCCC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000655722428 415412742 /nfs/dbraw/zinc/41/27/42/415412742.db2.gz ARGJNGGYXXNCGD-MRXNPFEDSA-N 2 1 296.455 2.036 20 0 CEADMP CC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000655730485 415419602 /nfs/dbraw/zinc/41/96/02/415419602.db2.gz KIMLOABDQNDLMX-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP COCCC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655734264 415422981 /nfs/dbraw/zinc/42/29/81/415422981.db2.gz DCXMCOGDQSEAHU-MRXNPFEDSA-N 2 1 296.455 2.036 20 0 CEADMP CN(CCc1ccccc1)[C@H]1CC[N@H+](CCn2ccnc2)C1 ZINC000661650750 415382226 /nfs/dbraw/zinc/38/22/26/415382226.db2.gz VUNFNBNPKQHZFE-SFHVURJKSA-N 2 1 298.434 2.132 20 0 CEADMP CN(CCc1ccccc1)[C@H]1CC[N@@H+](CCn2ccnc2)C1 ZINC000661650750 415382231 /nfs/dbraw/zinc/38/22/31/415382231.db2.gz VUNFNBNPKQHZFE-SFHVURJKSA-N 2 1 298.434 2.132 20 0 CEADMP Fc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655680318 415382676 /nfs/dbraw/zinc/38/26/76/415382676.db2.gz JXICIWZLDPNNGN-INIZCTEOSA-N 2 1 278.371 2.169 20 0 CEADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000655683228 415385360 /nfs/dbraw/zinc/38/53/60/415385360.db2.gz AJASZKOLAUKMLD-MRXNPFEDSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)o1 ZINC000655688951 415386338 /nfs/dbraw/zinc/38/63/38/415386338.db2.gz QIBHXNVCMZAZKB-KRWDZBQOSA-N 2 1 292.423 2.364 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCCCO1 ZINC000655747638 415434779 /nfs/dbraw/zinc/43/47/79/415434779.db2.gz IHSPGWAOUHURLY-XIRDDKMYSA-N 2 1 296.455 2.177 20 0 CEADMP CCC(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655760050 415441082 /nfs/dbraw/zinc/44/10/82/415441082.db2.gz VUHRCDYXJWZNFV-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP FC1(F)CCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655771725 415450613 /nfs/dbraw/zinc/45/06/13/415450613.db2.gz CWRQVZJLVKPTOW-TZMCWYRMSA-N 2 1 288.382 2.265 20 0 CEADMP c1cc2c(nc[nH+]c2NC[C@H]2CCC[N@H+](CC3CC3)C2)[nH]1 ZINC000664680354 415451589 /nfs/dbraw/zinc/45/15/89/415451589.db2.gz ZCDHZRKFZMZLNB-CYBMUJFWSA-N 2 1 285.395 2.492 20 0 CEADMP c1cc2c(nc[nH+]c2NC[C@H]2CCC[N@@H+](CC3CC3)C2)[nH]1 ZINC000664680354 415451596 /nfs/dbraw/zinc/45/15/96/415451596.db2.gz ZCDHZRKFZMZLNB-CYBMUJFWSA-N 2 1 285.395 2.492 20 0 CEADMP CO[C@@H]([C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000655774043 415456480 /nfs/dbraw/zinc/45/64/80/415456480.db2.gz OLFJUOAPLXFDLK-COXVUDFISA-N 2 1 296.455 2.033 20 0 CEADMP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655774770 415457097 /nfs/dbraw/zinc/45/70/97/415457097.db2.gz GMUDUBKNSFRMER-GVDBMIGSSA-N 2 1 296.455 2.177 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251922 415650895 /nfs/dbraw/zinc/65/08/95/415650895.db2.gz BTSZZXKUJNWHOY-DJIMGWMZSA-N 3 1 275.440 2.239 20 0 CEADMP COc1cccc(OC)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000665238406 415641730 /nfs/dbraw/zinc/64/17/30/415641730.db2.gz XTUBXDBPSFWKBF-VXGBXAGGSA-N 2 1 264.369 2.063 20 0 CEADMP Cc1nc(C)c(C)c(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000656210255 415644630 /nfs/dbraw/zinc/64/46/30/415644630.db2.gz CCBUPSFQKZQCEZ-SDDRHHMPSA-N 2 1 292.427 2.311 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N[C@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000665242049 415645709 /nfs/dbraw/zinc/64/57/09/415645709.db2.gz IXVQGLHMUALNIO-INDMIFKZSA-N 2 1 299.462 2.239 20 0 CEADMP CCc1ccccc1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152638 415658539 /nfs/dbraw/zinc/65/85/39/415658539.db2.gz WJRZLTWYTDLLGS-GOSISDBHSA-N 2 1 288.435 2.280 20 0 CEADMP CCc1ccccc1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152638 415658541 /nfs/dbraw/zinc/65/85/41/415658541.db2.gz WJRZLTWYTDLLGS-GOSISDBHSA-N 2 1 288.435 2.280 20 0 CEADMP Cc1cc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cs1 ZINC000662150284 415658895 /nfs/dbraw/zinc/65/88/95/415658895.db2.gz UGPULZLXWDGAMB-OAHLLOKOSA-N 2 1 280.437 2.088 20 0 CEADMP CCc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662154246 415660545 /nfs/dbraw/zinc/66/05/45/415660545.db2.gz GFDOVZBGFNPKCU-GOSISDBHSA-N 2 1 288.435 2.280 20 0 CEADMP CCc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662154246 415660549 /nfs/dbraw/zinc/66/05/49/415660549.db2.gz GFDOVZBGFNPKCU-GOSISDBHSA-N 2 1 288.435 2.280 20 0 CEADMP O[C@@H]1CC[N@H+](C2CC[NH+](CCC3CCCC3)CC2)C1 ZINC000662154906 415662263 /nfs/dbraw/zinc/66/22/63/415662263.db2.gz HJLUFKGHFGFOFA-MRXNPFEDSA-N 2 1 266.429 2.098 20 0 CEADMP CCC(CC)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)OC ZINC000656259868 415665409 /nfs/dbraw/zinc/66/54/09/415665409.db2.gz DSTHZYZHQYLFGS-MRXNPFEDSA-N 2 1 298.471 2.425 20 0 CEADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000665281978 415672939 /nfs/dbraw/zinc/67/29/39/415672939.db2.gz NVPNNKFSNHXVCX-XUWVNRHRSA-N 3 1 267.461 2.260 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CCC1CC1)CC1CC1 ZINC000662177748 415676927 /nfs/dbraw/zinc/67/69/27/415676927.db2.gz NFIJILHQLSGENF-INIZCTEOSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](CCC1CC1)CC1CC1 ZINC000662177748 415676932 /nfs/dbraw/zinc/67/69/32/415676932.db2.gz NFIJILHQLSGENF-INIZCTEOSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000071142101 176040066 /nfs/dbraw/zinc/04/00/66/176040066.db2.gz UIPJJATZYGVFSH-GFCCVEGCSA-N 2 1 270.323 2.329 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000071142101 176040068 /nfs/dbraw/zinc/04/00/68/176040068.db2.gz UIPJJATZYGVFSH-GFCCVEGCSA-N 2 1 270.323 2.329 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000071147573 176043743 /nfs/dbraw/zinc/04/37/43/176043743.db2.gz LMFJLMVLLVEXKR-CYBMUJFWSA-N 2 1 255.365 2.276 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000071147573 176043745 /nfs/dbraw/zinc/04/37/45/176043745.db2.gz LMFJLMVLLVEXKR-CYBMUJFWSA-N 2 1 255.365 2.276 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cnn2ccccc12 ZINC000071354924 176136547 /nfs/dbraw/zinc/13/65/47/176136547.db2.gz CYTHAPLVZIBWCP-UHFFFAOYSA-N 2 1 260.385 2.012 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC[NH+](C)C1CCCC1 ZINC000071376902 176142076 /nfs/dbraw/zinc/14/20/76/176142076.db2.gz DBESVJLBQBXBIV-FMKPAKJESA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCC[N@H+](C)C1CCCC1 ZINC000071376902 176142078 /nfs/dbraw/zinc/14/20/78/176142078.db2.gz DBESVJLBQBXBIV-FMKPAKJESA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCC[N@@H+](C)C1CCCC1 ZINC000071376902 176142079 /nfs/dbraw/zinc/14/20/79/176142079.db2.gz DBESVJLBQBXBIV-FMKPAKJESA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254379 415719841 /nfs/dbraw/zinc/71/98/41/415719841.db2.gz HRGDZEZKLSTFRM-PVAVHDDUSA-N 2 1 286.419 2.385 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662255860 415721226 /nfs/dbraw/zinc/72/12/26/415721226.db2.gz FNOUQHXQGUNRCT-GUTXKFCHSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+](Cc1cc2ccccc2o1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256789 415724653 /nfs/dbraw/zinc/72/46/53/415724653.db2.gz KNXCDMHOCMFTOM-AWEZNQCLSA-N 2 1 286.375 2.386 20 0 CEADMP Cc1ccccc1[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258704 415730109 /nfs/dbraw/zinc/73/01/09/415730109.db2.gz WXAIQCQHDDPXBO-CVEARBPZSA-N 2 1 286.419 2.305 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](OC)C2CCCC2)C1 ZINC000662236599 415702273 /nfs/dbraw/zinc/70/22/73/415702273.db2.gz FYLGZFMHVDBMJQ-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP CO[C@H](C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+])C1CCCC1 ZINC000662243949 415704334 /nfs/dbraw/zinc/70/43/34/415704334.db2.gz DPLBGXQDKPOTMF-BPLDGKMQSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+])C1CCCC1 ZINC000662243949 415704339 /nfs/dbraw/zinc/70/43/39/415704339.db2.gz DPLBGXQDKPOTMF-BPLDGKMQSA-N 2 1 254.418 2.251 20 0 CEADMP CC[N@H+](Cc1cccs1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248615 415712190 /nfs/dbraw/zinc/71/21/90/415712190.db2.gz HRPSABNKPSTWHS-GFCCVEGCSA-N 2 1 266.410 2.091 20 0 CEADMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250092 415712214 /nfs/dbraw/zinc/71/22/14/415712214.db2.gz XULLYGJEBXHRSC-MRXNPFEDSA-N 2 1 274.408 2.418 20 0 CEADMP CC(C)[C@H]([NH3+])c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656456171 415714385 /nfs/dbraw/zinc/71/43/85/415714385.db2.gz SFZQMERTORMZCB-RDJZCZTQSA-N 2 1 299.422 2.381 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)C1CCCC1 ZINC000662273701 415739517 /nfs/dbraw/zinc/73/95/17/415739517.db2.gz YRZIRCBQLXKJAV-HIFRSBDPSA-N 2 1 254.418 2.252 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC12CCOCC2 ZINC000662272633 415740190 /nfs/dbraw/zinc/74/01/90/415740190.db2.gz GLHDASXJHJEUBJ-QKPAOTATSA-N 2 1 278.440 2.110 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nc(C)n1 ZINC000662277490 415745279 /nfs/dbraw/zinc/74/52/79/415745279.db2.gz VJKLELQSNIHLJC-GDBMZVCRSA-N 2 1 274.412 2.057 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nc(C)n1 ZINC000662277490 415745283 /nfs/dbraw/zinc/74/52/83/415745283.db2.gz VJKLELQSNIHLJC-GDBMZVCRSA-N 2 1 274.412 2.057 20 0 CEADMP CC1(C)CCCC[C@H]1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662277040 415746653 /nfs/dbraw/zinc/74/66/53/415746653.db2.gz QHNZDXVGPFPQJK-HOTGVXAUSA-N 2 1 279.472 2.182 20 0 CEADMP c1ccc2c(c1)[nH]c1c2C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662299127 415761599 /nfs/dbraw/zinc/76/15/99/415761599.db2.gz LAHHQYQXQCGFQF-CYBMUJFWSA-N 2 1 297.402 2.047 20 0 CEADMP c1ccc2c(c1)[nH]c1c2C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662299127 415761604 /nfs/dbraw/zinc/76/16/04/415761604.db2.gz LAHHQYQXQCGFQF-CYBMUJFWSA-N 2 1 297.402 2.047 20 0 CEADMP CC(C)c1ccc2c(c1)C[N@H+](CCN1CC[NH2+]CC1)CC2 ZINC000662299018 415762924 /nfs/dbraw/zinc/76/29/24/415762924.db2.gz ISZGHISDANAWDX-UHFFFAOYSA-N 2 1 287.451 2.073 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000662311801 415771822 /nfs/dbraw/zinc/77/18/22/415771822.db2.gz VRFMDQDGVDGWPT-UHFFFAOYSA-N 2 1 274.408 2.443 20 0 CEADMP C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000662292338 415755165 /nfs/dbraw/zinc/75/51/65/415755165.db2.gz DVLWBLFGFZUISV-NVXWUHKLSA-N 3 1 279.472 2.088 20 0 CEADMP Cc1noc([C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662290310 415755383 /nfs/dbraw/zinc/75/53/83/415755383.db2.gz CCGACIROVZYHOZ-BXUZGUMPSA-N 2 1 278.400 2.151 20 0 CEADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296013 415758572 /nfs/dbraw/zinc/75/85/72/415758572.db2.gz JWPYXWATBJHZRO-DZGCQCFKSA-N 2 1 295.471 2.001 20 0 CEADMP Cc1nc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c(C)o1 ZINC000659882736 415758906 /nfs/dbraw/zinc/75/89/06/415758906.db2.gz MRALIVKCNLYWHH-ZDUSSCGKSA-N 2 1 260.341 2.325 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c(C)o1 ZINC000659882736 415758910 /nfs/dbraw/zinc/75/89/10/415758910.db2.gz MRALIVKCNLYWHH-ZDUSSCGKSA-N 2 1 260.341 2.325 20 0 CEADMP Nc1cccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000659882488 415759527 /nfs/dbraw/zinc/75/95/27/415759527.db2.gz HJGORZQJYBYNDP-OAHLLOKOSA-N 2 1 256.353 2.302 20 0 CEADMP c1ccc(COCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000660004091 415844640 /nfs/dbraw/zinc/84/46/40/415844640.db2.gz RSSMQFFHKCKPBP-UHFFFAOYSA-N 2 1 297.402 2.420 20 0 CEADMP CC[N@@H+](CCOc1ccccc1OC)C[C@@H]1CC[NH2+]C1 ZINC000662320794 415778379 /nfs/dbraw/zinc/77/83/79/415778379.db2.gz DSYWBEBCIWZMNZ-CQSZACIVSA-N 2 1 278.396 2.005 20 0 CEADMP CCC(CC)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325487 415781950 /nfs/dbraw/zinc/78/19/50/415781950.db2.gz HDEGSUNKMKKOLX-OAHLLOKOSA-N 2 1 256.434 2.465 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000662325368 415782153 /nfs/dbraw/zinc/78/21/53/415782153.db2.gz FDXOYZNNOBJNBH-QKPAOTATSA-N 2 1 266.429 2.075 20 0 CEADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CC2CC2)CC1 ZINC000662327162 415784910 /nfs/dbraw/zinc/78/49/10/415784910.db2.gz LHMLENOLYATODY-UHFFFAOYSA-N 2 1 288.439 2.466 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C[C@@H]2CC2(C)C)CC1 ZINC000662345654 415795637 /nfs/dbraw/zinc/79/56/37/415795637.db2.gz KJFQUMZCCPDLAM-INIZCTEOSA-N 2 1 281.488 2.380 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Cc2ccccc2)C1 ZINC000659950657 415804260 /nfs/dbraw/zinc/80/42/60/415804260.db2.gz QFWVJYXFOSYJHF-ZWKOTPCHSA-N 2 1 290.451 2.252 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000659950657 415804266 /nfs/dbraw/zinc/80/42/66/415804266.db2.gz QFWVJYXFOSYJHF-ZWKOTPCHSA-N 2 1 290.451 2.252 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000659950657 415804275 /nfs/dbraw/zinc/80/42/75/415804275.db2.gz QFWVJYXFOSYJHF-ZWKOTPCHSA-N 2 1 290.451 2.252 20 0 CEADMP CC1(C)C[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CO1 ZINC000659957398 415808444 /nfs/dbraw/zinc/80/84/44/415808444.db2.gz RDLRWSXYVVPMEB-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP CCc1ccc(CN(C)C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000656692380 415814715 /nfs/dbraw/zinc/81/47/15/415814715.db2.gz VLJANDHMNLHSJP-QGZVFWFLSA-N 2 1 278.440 2.382 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CCC2)[C@@H](C)C1 ZINC000660081190 415874110 /nfs/dbraw/zinc/87/41/10/415874110.db2.gz GCPNKLKYMYUZFS-BPUTZDHNSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)C2CCC2)[C@@H](C)C1 ZINC000660081190 415874119 /nfs/dbraw/zinc/87/41/19/415874119.db2.gz GCPNKLKYMYUZFS-BPUTZDHNSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)C2CCC2)[C@@H](C)C1 ZINC000660081190 415874123 /nfs/dbraw/zinc/87/41/23/415874123.db2.gz GCPNKLKYMYUZFS-BPUTZDHNSA-N 2 1 268.445 2.464 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCC1CCC1 ZINC000660117106 415887383 /nfs/dbraw/zinc/88/73/83/415887383.db2.gz MBOYSMCOUUMVSC-OWCLPIDISA-N 2 1 266.429 2.360 20 0 CEADMP CN(Cc1cnc[nH]1)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000662586346 415894288 /nfs/dbraw/zinc/89/42/88/415894288.db2.gz SGIIYWXKDIQPPM-AWEZNQCLSA-N 2 1 292.427 2.446 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000662592262 415895897 /nfs/dbraw/zinc/89/58/97/415895897.db2.gz INAKRFPMYQJKLM-KEYYUXOJSA-N 2 1 295.471 2.131 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000662592264 415896293 /nfs/dbraw/zinc/89/62/93/415896293.db2.gz INAKRFPMYQJKLM-VBQJREDUSA-N 2 1 295.471 2.131 20 0 CEADMP CC[NH+]1C[C@H](C)N(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC000660152979 415905499 /nfs/dbraw/zinc/90/54/99/415905499.db2.gz CKJKDQYZQZSMJD-TWMKSMIVSA-N 2 1 281.488 2.379 20 0 CEADMP CC[NH+]1C[C@H](C)N(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC000660152979 415905503 /nfs/dbraw/zinc/90/55/03/415905503.db2.gz CKJKDQYZQZSMJD-TWMKSMIVSA-N 2 1 281.488 2.379 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000662621997 415909035 /nfs/dbraw/zinc/90/90/35/415909035.db2.gz OAYFFWSVTPDEKX-RRFJBIMHSA-N 2 1 295.471 2.273 20 0 CEADMP CCCn1nc(C)c(C[NH2+]CC2([NH3+])CCCC2)c1C ZINC000656788118 415861169 /nfs/dbraw/zinc/86/11/69/415861169.db2.gz CCGUNEFCRLBMHK-UHFFFAOYSA-N 2 1 264.417 2.271 20 0 CEADMP COCCCOc1cccc(C[NH2+]CC2([NH3+])CCCC2)c1 ZINC000656788367 415862565 /nfs/dbraw/zinc/86/25/65/415862565.db2.gz LORLUXXBZYIGLO-UHFFFAOYSA-N 2 1 292.423 2.463 20 0 CEADMP Cc1cccc([C@@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2)c1 ZINC000660250546 415942921 /nfs/dbraw/zinc/94/29/21/415942921.db2.gz ZCVJBLKIRJLPFO-MSOLQXFVSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1cccc([C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2)c1 ZINC000660250546 415942924 /nfs/dbraw/zinc/94/29/24/415942924.db2.gz ZCVJBLKIRJLPFO-MSOLQXFVSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1cccc([C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660250546 415942926 /nfs/dbraw/zinc/94/29/26/415942926.db2.gz ZCVJBLKIRJLPFO-MSOLQXFVSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1cccc([C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660250546 415942931 /nfs/dbraw/zinc/94/29/31/415942931.db2.gz ZCVJBLKIRJLPFO-MSOLQXFVSA-N 2 1 290.451 2.485 20 0 CEADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000566737247 299019203 /nfs/dbraw/zinc/01/92/03/299019203.db2.gz FVYJQKXTWKCKKZ-GXTWGEPZSA-N 2 1 285.391 2.413 20 0 CEADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000566737247 299019207 /nfs/dbraw/zinc/01/92/07/299019207.db2.gz FVYJQKXTWKCKKZ-GXTWGEPZSA-N 2 1 285.391 2.413 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccnn3C)CC2)[nH+]1 ZINC000192876223 227327127 /nfs/dbraw/zinc/32/71/27/227327127.db2.gz FWDCGZAWVIZHOJ-CQSZACIVSA-N 2 1 299.422 2.443 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cc(OC)cc(OC)c2)CC[C@@H]1[NH3+] ZINC000122227051 419426325 /nfs/dbraw/zinc/42/63/25/419426325.db2.gz NTJBVMVZPMZQHP-BBRMVZONSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)CC[C@@H]1[NH3+] ZINC000122227051 419426336 /nfs/dbraw/zinc/42/63/36/419426336.db2.gz NTJBVMVZPMZQHP-BBRMVZONSA-N 2 1 278.396 2.263 20 0 CEADMP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000133629491 419432140 /nfs/dbraw/zinc/43/21/40/419432140.db2.gz QKJSNRJYWNYSEA-OLZOCXBDSA-N 2 1 278.396 2.497 20 0 CEADMP C([C@H]1CCCCO1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000221186376 419464633 /nfs/dbraw/zinc/46/46/33/419464633.db2.gz POSDQTMNBOOWLK-QLFBSQMISA-N 2 1 252.402 2.162 20 0 CEADMP C([C@H]1CCCCO1)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000221186376 419464641 /nfs/dbraw/zinc/46/46/41/419464641.db2.gz POSDQTMNBOOWLK-QLFBSQMISA-N 2 1 252.402 2.162 20 0 CEADMP CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)nc1 ZINC000666968909 419498880 /nfs/dbraw/zinc/49/88/80/419498880.db2.gz AZYJNGWGZWRDEQ-YOEHRIQHSA-N 2 1 289.423 2.444 20 0 CEADMP CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)nc1 ZINC000666968909 419498882 /nfs/dbraw/zinc/49/88/82/419498882.db2.gz AZYJNGWGZWRDEQ-YOEHRIQHSA-N 2 1 289.423 2.444 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997133 419508633 /nfs/dbraw/zinc/50/86/33/419508633.db2.gz YKQCDSJTSLOKFX-ZDUSSCGKSA-N 2 1 290.455 2.309 20 0 CEADMP Cc1ncc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1C ZINC000667534824 419703032 /nfs/dbraw/zinc/70/30/32/419703032.db2.gz MJPZFHVTNDIVRS-UHFFFAOYSA-N 2 1 278.444 2.281 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000666689554 419777952 /nfs/dbraw/zinc/77/79/52/419777952.db2.gz BPGQIOJWDMLEOV-HNNXBMFYSA-N 2 1 262.397 2.166 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000666689554 419777961 /nfs/dbraw/zinc/77/79/61/419777961.db2.gz BPGQIOJWDMLEOV-HNNXBMFYSA-N 2 1 262.397 2.166 20 0 CEADMP CN1CCN(c2ccc(N[C@@H]3CCC[C@@H]4C[C@@H]43)nc2)CC1 ZINC000667795358 419807999 /nfs/dbraw/zinc/80/79/99/419807999.db2.gz ZVRCITBIAXEBHZ-VNQPRFMTSA-N 2 1 286.423 2.434 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667853684 419827601 /nfs/dbraw/zinc/82/76/01/419827601.db2.gz LCNIPUCMPGQEJQ-KBMXLJTQSA-N 2 1 266.429 2.264 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000094367422 289887463 /nfs/dbraw/zinc/88/74/63/289887463.db2.gz HNWQYNCFOFYMSC-CQSZACIVSA-N 2 1 252.402 2.162 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)C1(C)C ZINC000300619879 260220914 /nfs/dbraw/zinc/22/09/14/260220914.db2.gz BBECVAKMYYBWMW-MGPQQGTHSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1cnccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000521186595 260358367 /nfs/dbraw/zinc/35/83/67/260358367.db2.gz VQYIAIQUJRZXQL-BRWVUGGUSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cnccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000521186595 260358368 /nfs/dbraw/zinc/35/83/68/260358368.db2.gz VQYIAIQUJRZXQL-BRWVUGGUSA-N 2 1 289.423 2.074 20 0 CEADMP CCOC(=O)N[C@H](C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)CC(C)C ZINC000497215088 262108650 /nfs/dbraw/zinc/10/86/50/262108650.db2.gz PSHIKWKZTCCMPW-KKUMJFAQSA-N 2 1 299.459 2.267 20 0 CEADMP CN(C)C(=O)O[C@@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000497285275 262134744 /nfs/dbraw/zinc/13/47/44/262134744.db2.gz SSYPOUQWXYYGDM-HUUCEWRRSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)O[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000497285275 262134745 /nfs/dbraw/zinc/13/47/45/262134745.db2.gz SSYPOUQWXYYGDM-HUUCEWRRSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)O[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000497285275 262134747 /nfs/dbraw/zinc/13/47/47/262134747.db2.gz SSYPOUQWXYYGDM-HUUCEWRRSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)O[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000497285275 262134749 /nfs/dbraw/zinc/13/47/49/262134749.db2.gz SSYPOUQWXYYGDM-HUUCEWRRSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)O[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000497285275 262134750 /nfs/dbraw/zinc/13/47/50/262134750.db2.gz SSYPOUQWXYYGDM-HUUCEWRRSA-N 2 1 297.443 2.023 20 0 CEADMP C[C@H]([NH2+]CCCc1nccs1)[C@H]1CCCC[NH2+]1 ZINC000391172490 262385160 /nfs/dbraw/zinc/38/51/60/262385160.db2.gz LSNONXCQQCPEIT-NWDGAFQWSA-N 2 1 253.415 2.196 20 0 CEADMP CC[N@@H+](CC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)C1CC1 ZINC000452344235 263076872 /nfs/dbraw/zinc/07/68/72/263076872.db2.gz NMHWYTOFTAVRAT-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CC[C@H](NCC[NH+]2CCCC2(C)C)[C@H]2CCC[C@@H]21 ZINC000453395927 263263655 /nfs/dbraw/zinc/26/36/55/263263655.db2.gz KAOUJLZUXBXCIA-PMPSAXMXSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+]1CC[C@H](NCC[N@@H+]2CCCC2(C)C)[C@H]2CCC[C@@H]21 ZINC000453395927 263263656 /nfs/dbraw/zinc/26/36/56/263263656.db2.gz KAOUJLZUXBXCIA-PMPSAXMXSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1(C[NH3+])CCCC1 ZINC000237668182 270322651 /nfs/dbraw/zinc/32/26/51/270322651.db2.gz LDEGVAFUNJVREN-OAHLLOKOSA-N 2 1 295.471 2.276 20 0 CEADMP C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@H]1CCCC[NH2+]1 ZINC000395109554 270344904 /nfs/dbraw/zinc/34/49/04/270344904.db2.gz ZAGDOVMUTZPMJF-DZGCQCFKSA-N 2 1 290.407 2.121 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC([NH3+])(CC)CC)C[C@@H]1C ZINC000418427775 270372965 /nfs/dbraw/zinc/37/29/65/270372965.db2.gz OVNOQKRGRKYIIZ-UONOGXRCSA-N 2 1 298.475 2.018 20 0 CEADMP C(C[N@H+]1CC[C@@H](C2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420357502 270524514 /nfs/dbraw/zinc/52/45/14/270524514.db2.gz HYXXSOBCKDKHCC-GDBMZVCRSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)C1C[NH2+]C1 ZINC000422781842 270766128 /nfs/dbraw/zinc/76/61/28/270766128.db2.gz LDHKHVYSGGUUDI-APHBMKBZSA-N 2 1 260.381 2.104 20 0 CEADMP Cc1ccccc1O[C@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422794701 270771779 /nfs/dbraw/zinc/77/17/79/270771779.db2.gz URCHDTUUYZDVJH-KFWWJZLASA-N 2 1 262.397 2.492 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000422854764 270791882 /nfs/dbraw/zinc/79/18/82/270791882.db2.gz BNMWQOFITVSJQE-LZWOXQAQSA-N 2 1 265.445 2.110 20 0 CEADMP CCOc1cc(Cl)ccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423002575 270817319 /nfs/dbraw/zinc/81/73/19/270817319.db2.gz JPYHSNQZRAWACL-SNVBAGLBSA-N 2 1 268.788 2.436 20 0 CEADMP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H](C)C[NH3+] ZINC000423323098 270896756 /nfs/dbraw/zinc/89/67/56/270896756.db2.gz JNSHMLWGGPYSEV-HIFRSBDPSA-N 2 1 250.386 2.165 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423359520 270903577 /nfs/dbraw/zinc/90/35/77/270903577.db2.gz KTFQTITVKYMBAM-ILXRZTDVSA-N 2 1 295.471 2.001 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423487114 270917121 /nfs/dbraw/zinc/91/71/21/270917121.db2.gz UZQWWRRRLRFORO-RWMBFGLXSA-N 2 1 276.371 2.026 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cncn1C(C)C ZINC000424133371 271020871 /nfs/dbraw/zinc/02/08/71/271020871.db2.gz MDTVOIQZEVYLSZ-UHFFFAOYSA-N 2 1 261.373 2.149 20 0 CEADMP CC(C)n1cncc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000424170969 271026024 /nfs/dbraw/zinc/02/60/24/271026024.db2.gz LSHOQMZQGVGUSN-UHFFFAOYSA-N 2 1 264.417 2.428 20 0 CEADMP CCCCN(CC)C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424293763 271041436 /nfs/dbraw/zinc/04/14/36/271041436.db2.gz PZNWGFXEHIAKRV-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP COC(=O)CC1CC([NH2+]CC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000424321554 271044092 /nfs/dbraw/zinc/04/40/92/271044092.db2.gz UMMZVUPNPUBSBD-HESLUPGFSA-N 2 1 282.428 2.181 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000426297329 271211002 /nfs/dbraw/zinc/21/10/02/271211002.db2.gz YZFOFOBLDFEKAB-UHFFFAOYSA-N 2 1 299.418 2.112 20 0 CEADMP C[C@@](C[NH3+])([NH2+]Cc1ccc(-n2cccn2)cc1)C1CC1 ZINC000430563113 271390772 /nfs/dbraw/zinc/39/07/72/271390772.db2.gz URZGFEFHLIPDRT-INIZCTEOSA-N 2 1 270.380 2.089 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430565903 271392141 /nfs/dbraw/zinc/39/21/41/271392141.db2.gz BKSARBYKHUZLRC-ZIAGYGMSSA-N 2 1 256.434 2.498 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000436309848 271660765 /nfs/dbraw/zinc/66/07/65/271660765.db2.gz QBLGXDBELFMKDM-APIJFGDWSA-N 2 1 282.428 2.038 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCCC[C@H]2CC[NH3+])c1C ZINC000111380605 274088635 /nfs/dbraw/zinc/08/86/35/274088635.db2.gz BJTOIEGFXCFJOU-AWEZNQCLSA-N 2 1 277.412 2.410 20 0 CEADMP COc1c(C)cnc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1C ZINC000111380605 274088639 /nfs/dbraw/zinc/08/86/39/274088639.db2.gz BJTOIEGFXCFJOU-AWEZNQCLSA-N 2 1 277.412 2.410 20 0 CEADMP COc1c(C)cnc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1C ZINC000111380605 274088642 /nfs/dbraw/zinc/08/86/42/274088642.db2.gz BJTOIEGFXCFJOU-AWEZNQCLSA-N 2 1 277.412 2.410 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c2ccccc21 ZINC000361209248 274312861 /nfs/dbraw/zinc/31/28/61/274312861.db2.gz ROZVWXRGXIDFSW-XJKCOSOUSA-N 2 1 262.397 2.137 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@H]2COc3ccccc3O2)CC[NH2+]1 ZINC000414676860 274385304 /nfs/dbraw/zinc/38/53/04/274385304.db2.gz IAARFUXALGGKNO-ILXRZTDVSA-N 2 1 290.407 2.146 20 0 CEADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCC2 ZINC000335488849 274913426 /nfs/dbraw/zinc/91/34/26/274913426.db2.gz QHUKHMRMDWXWDK-GDBMZVCRSA-N 2 1 278.371 2.171 20 0 CEADMP O[C@@H](C[NH2+][C@H]1CCSc2ccccc21)C[NH+]1CCCC1 ZINC000338396295 275052470 /nfs/dbraw/zinc/05/24/70/275052470.db2.gz DJQJLIZAPFEMSA-ZFWWWQNUSA-N 2 1 292.448 2.270 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000374336451 275735773 /nfs/dbraw/zinc/73/57/73/275735773.db2.gz FVPRNGAKCHWZNQ-HNNXBMFYSA-N 2 1 264.413 2.162 20 0 CEADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358384245 276006974 /nfs/dbraw/zinc/00/69/74/276006974.db2.gz PQGFTOYSPWUNFL-JJXSEGSLSA-N 2 1 268.445 2.367 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000356223988 276010184 /nfs/dbraw/zinc/01/01/84/276010184.db2.gz QGURTSHRVXROJG-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000094309093 276109588 /nfs/dbraw/zinc/10/95/88/276109588.db2.gz VJEOSIXYAGSBFX-RDBSUJKOSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000094309093 276109591 /nfs/dbraw/zinc/10/95/91/276109591.db2.gz VJEOSIXYAGSBFX-RDBSUJKOSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cn3c(n2)CCCC3)[C@H](C)C1 ZINC000152758854 276229002 /nfs/dbraw/zinc/22/90/02/276229002.db2.gz YQUJDLWXSDORSI-ZBFHGGJFSA-N 2 1 290.455 2.082 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000359524563 276260540 /nfs/dbraw/zinc/26/05/40/276260540.db2.gz DXHVFRGESAQCPW-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000359524563 276260542 /nfs/dbraw/zinc/26/05/42/276260542.db2.gz DXHVFRGESAQCPW-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000359524563 276260544 /nfs/dbraw/zinc/26/05/44/276260544.db2.gz DXHVFRGESAQCPW-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353609628 276288320 /nfs/dbraw/zinc/28/83/20/276288320.db2.gz UGLAEORTBYJYLS-YIDVYQOGSA-N 2 1 294.439 2.181 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339813227 276324093 /nfs/dbraw/zinc/32/40/93/276324093.db2.gz MYXGGXHCAFMIAZ-OAHLLOKOSA-N 2 1 256.434 2.465 20 0 CEADMP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH2+]CC1)CCC2 ZINC000335569371 276692178 /nfs/dbraw/zinc/69/21/78/276692178.db2.gz WDEYXECWTZIJRE-LLVKDONJSA-N 2 1 265.426 2.425 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCO3)CC1 ZINC000037675031 277031124 /nfs/dbraw/zinc/03/11/24/277031124.db2.gz DCFKCIXGWXVTPK-UHFFFAOYSA-N 2 1 276.380 2.032 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000351178277 277044267 /nfs/dbraw/zinc/04/42/67/277044267.db2.gz AAEJKOOPDLPVEW-LSDHHAIUSA-N 2 1 276.428 2.464 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000351178277 277044268 /nfs/dbraw/zinc/04/42/68/277044268.db2.gz AAEJKOOPDLPVEW-LSDHHAIUSA-N 2 1 276.428 2.464 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000351178277 277044269 /nfs/dbraw/zinc/04/42/69/277044269.db2.gz AAEJKOOPDLPVEW-LSDHHAIUSA-N 2 1 276.428 2.464 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccccc3)CC[C@H]21 ZINC000247945188 277068685 /nfs/dbraw/zinc/06/86/85/277068685.db2.gz HGCIMHSMEKGDOC-ZACQAIPSSA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccccc3)CC[C@H]21 ZINC000247945188 277068687 /nfs/dbraw/zinc/06/86/87/277068687.db2.gz HGCIMHSMEKGDOC-ZACQAIPSSA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3)CC[C@H]21 ZINC000247945188 277068688 /nfs/dbraw/zinc/06/86/88/277068688.db2.gz HGCIMHSMEKGDOC-ZACQAIPSSA-N 2 1 274.408 2.136 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000361895955 277184044 /nfs/dbraw/zinc/18/40/44/277184044.db2.gz CTQHIIQPXNNCME-NUJGCVRESA-N 2 1 288.435 2.225 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000361895955 277184045 /nfs/dbraw/zinc/18/40/45/277184045.db2.gz CTQHIIQPXNNCME-NUJGCVRESA-N 2 1 288.435 2.225 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000335935433 277184060 /nfs/dbraw/zinc/18/40/60/277184060.db2.gz QAMAHPBSUJOXNU-ZBFHGGJFSA-N 2 1 266.429 2.146 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000335935433 277184061 /nfs/dbraw/zinc/18/40/61/277184061.db2.gz QAMAHPBSUJOXNU-ZBFHGGJFSA-N 2 1 266.429 2.146 20 0 CEADMP COCCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177511315 277206359 /nfs/dbraw/zinc/20/63/59/277206359.db2.gz VXISAWIMJDGEDL-IYBDPMFKSA-N 2 1 298.471 2.234 20 0 CEADMP COC[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000158693563 277262066 /nfs/dbraw/zinc/26/20/66/277262066.db2.gz UDEWYIMYYNPTJY-LZWOXQAQSA-N 2 1 268.445 2.369 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353631576 277286723 /nfs/dbraw/zinc/28/67/23/277286723.db2.gz MBGVVZZDODHLRP-OXGONZEZSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)(O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134871038 277313281 /nfs/dbraw/zinc/31/32/81/277313281.db2.gz AZJHIIYMVJBTAX-UKRRQHHQSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)(O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134871038 277313283 /nfs/dbraw/zinc/31/32/83/277313283.db2.gz AZJHIIYMVJBTAX-UKRRQHHQSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)(O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134871038 277313285 /nfs/dbraw/zinc/31/32/85/277313285.db2.gz AZJHIIYMVJBTAX-UKRRQHHQSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)(O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134871038 277313286 /nfs/dbraw/zinc/31/32/86/277313286.db2.gz AZJHIIYMVJBTAX-UKRRQHHQSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CCCC1 ZINC000414703100 277380855 /nfs/dbraw/zinc/38/08/55/277380855.db2.gz LQEUSUANEJLDRR-HNNXBMFYSA-N 2 1 295.471 2.084 20 0 CEADMP CC(C)C[N@H+]1CCCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000371210433 277389666 /nfs/dbraw/zinc/38/96/66/277389666.db2.gz ZPDRSAWGDVERJG-INIZCTEOSA-N 2 1 267.461 2.134 20 0 CEADMP CC(C)C[NH+]1CCCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000371210433 277389669 /nfs/dbraw/zinc/38/96/69/277389669.db2.gz ZPDRSAWGDVERJG-INIZCTEOSA-N 2 1 267.461 2.134 20 0 CEADMP CC(C)C[NH+]1CCCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000371210433 277389670 /nfs/dbraw/zinc/38/96/70/277389670.db2.gz ZPDRSAWGDVERJG-INIZCTEOSA-N 2 1 267.461 2.134 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(F)cc1Br ZINC000414888144 278245202 /nfs/dbraw/zinc/24/52/02/278245202.db2.gz ZSQFVVPIFLVQGB-QMMMGPOBSA-N 2 1 275.165 2.273 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(O)CC1 ZINC000353497894 278267244 /nfs/dbraw/zinc/26/72/44/278267244.db2.gz POSMSXDWGUHEEY-GJROSEKXSA-N 2 1 268.445 2.246 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(O)CC1 ZINC000353497894 278267246 /nfs/dbraw/zinc/26/72/46/278267246.db2.gz POSMSXDWGUHEEY-GJROSEKXSA-N 2 1 268.445 2.246 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000358037099 278343970 /nfs/dbraw/zinc/34/39/70/278343970.db2.gz MFAAYFVNTUKURP-OWCLPIDISA-N 2 1 298.471 2.281 20 0 CEADMP C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400337985 278344382 /nfs/dbraw/zinc/34/43/82/278344382.db2.gz FVNCZKZKRONPJN-NVXWUHKLSA-N 2 1 275.440 2.239 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000366948612 279096042 /nfs/dbraw/zinc/09/60/42/279096042.db2.gz YKDMYSJSLLUUHW-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000020072285 279179805 /nfs/dbraw/zinc/17/98/05/279179805.db2.gz DQTWVUYRYCZOKM-DLBZAZTESA-N 2 1 275.440 2.349 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000336807868 279262436 /nfs/dbraw/zinc/26/24/36/279262436.db2.gz AIIJZYUUMSKUFC-VXGBXAGGSA-N 2 1 280.334 2.170 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000104832570 279266430 /nfs/dbraw/zinc/26/64/30/279266430.db2.gz YWRULEWCOBDCES-CQSZACIVSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269017034 279270153 /nfs/dbraw/zinc/27/01/53/279270153.db2.gz OOKZZUVVWGXRQL-HLLBOEOZSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269017034 279270155 /nfs/dbraw/zinc/27/01/55/279270155.db2.gz OOKZZUVVWGXRQL-HLLBOEOZSA-N 2 1 276.424 2.400 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CCCC1 ZINC000346616911 279328933 /nfs/dbraw/zinc/32/89/33/279328933.db2.gz FTJVKQHENCJHNO-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000333236641 279367762 /nfs/dbraw/zinc/36/77/62/279367762.db2.gz DCRUJYCKHJAJGS-RDBSUJKOSA-N 2 1 276.428 2.167 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132006828 279387345 /nfs/dbraw/zinc/38/73/45/279387345.db2.gz KBYKMHIEIUGRQS-BYCMXARLSA-N 2 1 256.353 2.006 20 0 CEADMP CC[C@@H](C)[C@H](C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338302093 280122182 /nfs/dbraw/zinc/12/21/82/280122182.db2.gz AITKPXVBHBFFRJ-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H](C)[C@H](C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338302093 280122186 /nfs/dbraw/zinc/12/21/86/280122186.db2.gz AITKPXVBHBFFRJ-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000189476325 280149974 /nfs/dbraw/zinc/14/99/74/280149974.db2.gz XGKBBJLTCYVIEY-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)C1(C)C ZINC000234832350 280220685 /nfs/dbraw/zinc/22/06/85/280220685.db2.gz BBECVAKMYYBWMW-BFHYXJOUSA-N 2 1 254.418 2.264 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2=CCCOC2)[C@@H](C)C1 ZINC000245701566 280256998 /nfs/dbraw/zinc/25/69/98/280256998.db2.gz VKQHCENLRNUHAW-RDJZCZTQSA-N 2 1 296.455 2.060 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247016517 280317861 /nfs/dbraw/zinc/31/78/61/280317861.db2.gz MPYMTYSBFFYABZ-UONOGXRCSA-N 2 1 299.459 2.221 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000248325155 280343633 /nfs/dbraw/zinc/34/36/33/280343633.db2.gz BAVRGZBQGLWDOY-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000248325155 280343637 /nfs/dbraw/zinc/34/36/37/280343637.db2.gz BAVRGZBQGLWDOY-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000248325155 280343640 /nfs/dbraw/zinc/34/36/40/280343640.db2.gz BAVRGZBQGLWDOY-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000248325155 280343643 /nfs/dbraw/zinc/34/36/43/280343643.db2.gz BAVRGZBQGLWDOY-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]([NH2+]CCSCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423027205 280998631 /nfs/dbraw/zinc/99/86/31/280998631.db2.gz QVYHZQYYDJLZJR-ZJUUUORDSA-N 2 1 270.364 2.402 20 0 CEADMP C[C@@H]([NH2+]CCSCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423032254 281003108 /nfs/dbraw/zinc/00/31/08/281003108.db2.gz XZGNKDFMVOPLCN-RKDXNWHRSA-N 2 1 256.337 2.012 20 0 CEADMP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+]C2)C[C@@H]1OCc1ccccc1 ZINC000423050668 281010364 /nfs/dbraw/zinc/01/03/64/281010364.db2.gz LQYTXCYDQYZDHT-OAGGEKHMSA-N 2 1 274.408 2.322 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2N(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423061298 281015554 /nfs/dbraw/zinc/01/55/54/281015554.db2.gz QLZZXEBRFIYGCT-ZOBUZTSGSA-N 2 1 287.451 2.415 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000423162627 281020595 /nfs/dbraw/zinc/02/05/95/281020595.db2.gz UHNOUUBSMQTRST-IUCAKERBSA-N 2 1 261.291 2.316 20 0 CEADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CC1([NH3+])CCC1 ZINC000423331539 281024400 /nfs/dbraw/zinc/02/44/00/281024400.db2.gz OTGDJEDHRNNFMJ-GFCCVEGCSA-N 2 1 264.344 2.293 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1O ZINC000423378900 281025092 /nfs/dbraw/zinc/02/50/92/281025092.db2.gz LGIAKDZLHHLKCR-NTZNESFSSA-N 2 1 264.369 2.192 20 0 CEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(OC(F)(F)F)c1 ZINC000423432413 281039603 /nfs/dbraw/zinc/03/96/03/281039603.db2.gz MITOMHQIIQEKQE-HWNAMQAFSA-N 2 1 286.297 2.454 20 0 CEADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423446752 281045010 /nfs/dbraw/zinc/04/50/10/281045010.db2.gz ZATLMDBTJPNHQK-PJGKYDQVSA-N 2 1 260.356 2.257 20 0 CEADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423447628 281045692 /nfs/dbraw/zinc/04/56/92/281045692.db2.gz ZUDZJQJETUZVAL-LQKXBSAESA-N 2 1 272.392 2.225 20 0 CEADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423462973 281047168 /nfs/dbraw/zinc/04/71/68/281047168.db2.gz KZCNEDMSOFDOQE-UGQVUOCMSA-N 2 1 261.413 2.147 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CN)C1CCCC1 ZINC000423496688 281056094 /nfs/dbraw/zinc/05/60/94/281056094.db2.gz FIVFWOGIEUIBCY-WBMJQRKESA-N 2 1 276.428 2.017 20 0 CEADMP C1CC([C@@H]2CC[C@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000423512887 281057746 /nfs/dbraw/zinc/05/77/46/281057746.db2.gz QPOKINLONHCWIC-ZGUYJTEBSA-N 2 1 291.483 2.371 20 0 CEADMP Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c1C ZINC000423529228 281062871 /nfs/dbraw/zinc/06/28/71/281062871.db2.gz XKKHJICUTMJIRT-GJZGRUSLSA-N 2 1 262.397 2.333 20 0 CEADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000423529272 281063065 /nfs/dbraw/zinc/06/30/65/281063065.db2.gz XQFBKTFYCNJEDR-HOCLYGCPSA-N 2 1 262.397 2.333 20 0 CEADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[C@@H](C)[NH3+] ZINC000423772258 281090640 /nfs/dbraw/zinc/09/06/40/281090640.db2.gz HOCYCPPYWITPPF-WCVJEAGWSA-N 2 1 295.471 2.080 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000423796007 281096497 /nfs/dbraw/zinc/09/64/97/281096497.db2.gz GTWYNDGAKRQOQJ-XHSDSOJGSA-N 2 1 295.471 2.131 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424380995 281154896 /nfs/dbraw/zinc/15/48/96/281154896.db2.gz QIQDZPOCBGYBTC-CYBMUJFWSA-N 2 1 290.407 2.365 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000424420235 281158031 /nfs/dbraw/zinc/15/80/31/281158031.db2.gz UZZVMMBPRPRPQF-HNNXBMFYSA-N 2 1 290.411 2.012 20 0 CEADMP C[C@H](C[NH3+])[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000430926108 281281035 /nfs/dbraw/zinc/28/10/35/281281035.db2.gz FPNGVWPZQFMESB-LLVKDONJSA-N 2 1 256.777 2.388 20 0 CEADMP C[C@H](C[NH3+])[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000430926108 281281037 /nfs/dbraw/zinc/28/10/37/281281037.db2.gz FPNGVWPZQFMESB-LLVKDONJSA-N 2 1 256.777 2.388 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000435373574 281386006 /nfs/dbraw/zinc/38/60/06/281386006.db2.gz FDXPIVMTWLLNJQ-LBPRGKRZSA-N 2 1 274.368 2.019 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000435373574 281386010 /nfs/dbraw/zinc/38/60/10/281386010.db2.gz FDXPIVMTWLLNJQ-LBPRGKRZSA-N 2 1 274.368 2.019 20 0 CEADMP C[C@H]1C[C@@H](N(C)CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000435396595 281388340 /nfs/dbraw/zinc/38/83/40/281388340.db2.gz ZLHUTQDSYSCEDX-RDJZCZTQSA-N 2 1 275.440 2.320 20 0 CEADMP C[C@@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)c1ccccc1 ZINC000446755181 281779843 /nfs/dbraw/zinc/77/98/43/281779843.db2.gz ZXWNDTXGTCWTNN-HNNXBMFYSA-N 2 1 276.424 2.227 20 0 CEADMP Cc1nc2c(s1)[C@@H]([NH2+]CC1([NH3+])CCC1)CCC2 ZINC000335050199 282033277 /nfs/dbraw/zinc/03/32/77/282033277.db2.gz AAVFSUMLHFONIU-JTQLQIEISA-N 2 1 251.399 2.300 20 0 CEADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cn1 ZINC000401736056 289288473 /nfs/dbraw/zinc/28/84/73/289288473.db2.gz YOGHQZVPUUUNRU-ZDUSSCGKSA-N 2 1 262.332 2.238 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000401883549 289289040 /nfs/dbraw/zinc/28/90/40/289289040.db2.gz RQMMLYHFJNVDFL-ZDUSSCGKSA-N 2 1 273.380 2.192 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CC1 ZINC000340518041 289365428 /nfs/dbraw/zinc/36/54/28/289365428.db2.gz JPGYKWRTLSHCFJ-KLHDSHLOSA-N 2 1 278.440 2.264 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C1CC1 ZINC000364382785 290018147 /nfs/dbraw/zinc/01/81/47/290018147.db2.gz PCAGQKIQCFAJHR-BFJAYTPKSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C1CC1 ZINC000364382785 290018149 /nfs/dbraw/zinc/01/81/49/290018149.db2.gz PCAGQKIQCFAJHR-BFJAYTPKSA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C2CC(OC(C)C)C2)C1 ZINC000459353054 290124742 /nfs/dbraw/zinc/12/47/42/290124742.db2.gz YWMPRSFTVNNMOI-NFOMZHRRSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C2CC(OC(C)C)C2)C1 ZINC000459353054 290124743 /nfs/dbraw/zinc/12/47/43/290124743.db2.gz YWMPRSFTVNNMOI-NFOMZHRRSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C2CC(OC(C)C)C2)C1 ZINC000459353054 290124744 /nfs/dbraw/zinc/12/47/44/290124744.db2.gz YWMPRSFTVNNMOI-NFOMZHRRSA-N 2 1 254.418 2.216 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459382479 290132432 /nfs/dbraw/zinc/13/24/32/290132432.db2.gz FESXCQZMQFJIAQ-GFCCVEGCSA-N 2 1 285.395 2.285 20 0 CEADMP CO[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459461954 290156130 /nfs/dbraw/zinc/15/61/30/290156130.db2.gz KWRKUSWSACPCKP-SWLSCSKDSA-N 2 1 252.402 2.018 20 0 CEADMP Cn1nc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000459542144 290174015 /nfs/dbraw/zinc/17/40/15/290174015.db2.gz XAOKRAFBTNYFKK-UHFFFAOYSA-N 2 1 298.434 2.332 20 0 CEADMP OC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)CC1CCCC1 ZINC000459544564 290175121 /nfs/dbraw/zinc/17/51/21/290175121.db2.gz RAPDYXBFSMANHC-OAHLLOKOSA-N 2 1 280.456 2.392 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459580342 290185249 /nfs/dbraw/zinc/18/52/49/290185249.db2.gz PGANHKJCWAQVGC-CVEARBPZSA-N 2 1 294.439 2.325 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)[C@H](C)C1 ZINC000459629245 290199850 /nfs/dbraw/zinc/19/98/50/290199850.db2.gz GWMSHQOQWJNRGQ-APIJFGDWSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261657054 290214002 /nfs/dbraw/zinc/21/40/02/290214002.db2.gz KECBOTVFZSXBSI-OLZOCXBDSA-N 2 1 295.377 2.005 20 0 CEADMP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261657054 290214008 /nfs/dbraw/zinc/21/40/08/290214008.db2.gz KECBOTVFZSXBSI-OLZOCXBDSA-N 2 1 295.377 2.005 20 0 CEADMP COc1cccc2c1C[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)C2 ZINC000459715985 290215955 /nfs/dbraw/zinc/21/59/55/290215955.db2.gz ZASWMANRPKJEAU-HNNXBMFYSA-N 2 1 297.402 2.413 20 0 CEADMP CCC1(CC)[C@H]([NH2+]CCc2c[nH+]cn2C)C[C@H]1OC ZINC000471761814 290282008 /nfs/dbraw/zinc/28/20/08/290282008.db2.gz RQURDYZFIGTZEY-ZIAGYGMSSA-N 2 1 265.401 2.146 20 0 CEADMP C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000488407079 290395624 /nfs/dbraw/zinc/39/56/24/290395624.db2.gz BMNIOFVUQWMEPR-MAUKXSAKSA-N 2 1 287.451 2.180 20 0 CEADMP Cn1cc([C@H]([NH2+]C2CC[NH+](C)CC2)C(C)(C)C)cn1 ZINC000360253896 294293233 /nfs/dbraw/zinc/29/32/33/294293233.db2.gz UNSLIQUUNQFSEP-AWEZNQCLSA-N 2 1 264.417 2.191 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](CCO)C2CCCCC2)CC[NH2+]1 ZINC000414667675 297248475 /nfs/dbraw/zinc/24/84/75/297248475.db2.gz HYYRLBQRBMIAML-KGLIPLIRSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H](Cc2ccccc2)C[NH+](C)C)CC[N@H+]1C ZINC000246974699 297287174 /nfs/dbraw/zinc/28/71/74/297287174.db2.gz JIDQMWCCGXOLMF-BPQIPLTHSA-N 2 1 289.467 2.232 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CC[NH2+]1 ZINC000414734236 297399781 /nfs/dbraw/zinc/39/97/81/297399781.db2.gz DIWAFQCLDGKJRP-LPWJVIDDSA-N 2 1 294.361 2.010 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C[C@H]1OC ZINC000530216213 298052574 /nfs/dbraw/zinc/05/25/74/298052574.db2.gz OBAFONPPJJEYBR-BFHYXJOUSA-N 2 1 266.429 2.454 20 0 CEADMP COc1cccc2c1CC[C@@H]2[NH2+]CCc1c[nH+]cn1C ZINC000530513098 298075473 /nfs/dbraw/zinc/07/54/73/298075473.db2.gz BHGMIXZQCUIGFV-HNNXBMFYSA-N 2 1 271.364 2.248 20 0 CEADMP CC[N@@H+](CC(=O)N1CCC(C[NH+](C)C(C)C)CC1)C1CC1 ZINC000532763300 298150299 /nfs/dbraw/zinc/15/02/99/298150299.db2.gz TUQRAOLDMTXFNK-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](CC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)C1CC1 ZINC000532763300 298150301 /nfs/dbraw/zinc/15/03/01/298150301.db2.gz TUQRAOLDMTXFNK-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](CC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)C1CC1 ZINC000532763300 298150304 /nfs/dbraw/zinc/15/03/04/298150304.db2.gz TUQRAOLDMTXFNK-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000539062586 298244448 /nfs/dbraw/zinc/24/44/48/298244448.db2.gz ZKBFLBABBHRUSI-INMHGKMJSA-N 2 1 276.424 2.258 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC(=O)Nc3ccccc32)C1 ZINC000542475835 298290599 /nfs/dbraw/zinc/29/05/99/298290599.db2.gz LGAUXRZOPGWPID-HIFRSBDPSA-N 2 1 287.407 2.391 20 0 CEADMP C[C@@H](NCC[C@@H]1CCCC[N@H+]1C)c1nnc2ccccn21 ZINC000543518189 298311361 /nfs/dbraw/zinc/31/13/61/298311361.db2.gz FZEAFKZLWDRLDD-KGLIPLIRSA-N 2 1 287.411 2.254 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000358079048 298317048 /nfs/dbraw/zinc/31/70/48/298317048.db2.gz CSLSTDLLUCPXNF-AAVRWANBSA-N 2 1 284.444 2.425 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)cn1 ZINC000563802571 298800070 /nfs/dbraw/zinc/80/00/70/298800070.db2.gz IZYWANLTQMIFRF-SNVBAGLBSA-N 2 1 264.760 2.362 20 0 CEADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)C1CCOCC1 ZINC000566415712 298978643 /nfs/dbraw/zinc/97/86/43/298978643.db2.gz INIHZHRCTXWOCX-HNNXBMFYSA-N 2 1 265.401 2.148 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CSC[C@@H]1CN(C)CCO1 ZINC000566560821 299003045 /nfs/dbraw/zinc/00/30/45/299003045.db2.gz KLBIPYPYNOSCSV-CABCVRRESA-N 2 1 286.485 2.313 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@@H]1CSC[C@@H]1C[NH+](C)CCO1 ZINC000566560821 299003049 /nfs/dbraw/zinc/00/30/49/299003049.db2.gz KLBIPYPYNOSCSV-CABCVRRESA-N 2 1 286.485 2.313 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CSC[C@@H]1C[NH+](C)CCO1 ZINC000566560821 299003052 /nfs/dbraw/zinc/00/30/52/299003052.db2.gz KLBIPYPYNOSCSV-CABCVRRESA-N 2 1 286.485 2.313 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CSC[C@@H]1C[N@H+](C)CCO1 ZINC000566560821 299003056 /nfs/dbraw/zinc/00/30/56/299003056.db2.gz KLBIPYPYNOSCSV-CABCVRRESA-N 2 1 286.485 2.313 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CSC[C@@H]1C[N@@H+](C)CCO1 ZINC000566560821 299003059 /nfs/dbraw/zinc/00/30/59/299003059.db2.gz KLBIPYPYNOSCSV-CABCVRRESA-N 2 1 286.485 2.313 20 0 CEADMP c1cn(-c2csc(C[NH2+]CCC[NH+]3CCC3)c2)cn1 ZINC000566746723 299021166 /nfs/dbraw/zinc/02/11/66/299021166.db2.gz ACBYJICGJXXGII-UHFFFAOYSA-N 2 1 276.409 2.119 20 0 CEADMP CCC(CC)(CC(=O)OC)[NH2+]CCCc1c[nH+]cn1C ZINC000566805875 299024489 /nfs/dbraw/zinc/02/44/89/299024489.db2.gz VJNHGBRGFHNKGQ-UHFFFAOYSA-N 2 1 281.400 2.064 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000567350852 299055554 /nfs/dbraw/zinc/05/55/54/299055554.db2.gz ARFRLRZLBMLVLD-JKSUJKDBSA-N 2 1 295.471 2.275 20 0 CEADMP CCn1nc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c2ccccc21 ZINC000567352667 299056224 /nfs/dbraw/zinc/05/62/24/299056224.db2.gz KDSTZFRKHOZGKC-RYUDHWBXSA-N 2 1 260.385 2.272 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336819466 303114690 /nfs/dbraw/zinc/11/46/90/303114690.db2.gz ZWZIDUYZDGKFRC-UHFFFAOYSA-N 2 1 280.334 2.031 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1nccn1C ZINC000182279482 312813392 /nfs/dbraw/zinc/81/33/92/312813392.db2.gz VYPCJWCFLXRENE-CYBMUJFWSA-N 2 1 272.396 2.333 20 0 CEADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000347530924 312860940 /nfs/dbraw/zinc/86/09/40/312860940.db2.gz VIZYQZCQLTZULX-RANZSIQMSA-N 2 1 290.451 2.471 20 0 CEADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000516921059 313098663 /nfs/dbraw/zinc/09/86/63/313098663.db2.gz SSHPLKCWRXNBDM-GJZGRUSLSA-N 3 1 267.461 2.086 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)CCCC[NH3+])c2C1 ZINC000521879707 313134793 /nfs/dbraw/zinc/13/47/93/313134793.db2.gz OWAMQCOJJKEALQ-UHFFFAOYSA-N 2 1 275.396 2.480 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)CCCC[NH3+])c2C1 ZINC000521879707 313134796 /nfs/dbraw/zinc/13/47/96/313134796.db2.gz OWAMQCOJJKEALQ-UHFFFAOYSA-N 2 1 275.396 2.480 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)ccn1 ZINC000527537812 313181362 /nfs/dbraw/zinc/18/13/62/313181362.db2.gz GDHFHFPEOWQNJS-AWEZNQCLSA-N 2 1 256.353 2.493 20 0 CEADMP COc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)OC)c1 ZINC000527918198 313214830 /nfs/dbraw/zinc/21/48/30/313214830.db2.gz FXXZUCJIBBVGID-KMFMINBZSA-N 2 1 292.423 2.455 20 0 CEADMP C(C[C@@H]1CCCOC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000527928962 313216362 /nfs/dbraw/zinc/21/63/62/313216362.db2.gz VIAHXAARMKUFES-DOTOQJQBSA-N 2 1 296.455 2.036 20 0 CEADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000528009728 313224734 /nfs/dbraw/zinc/22/47/34/313224734.db2.gz WWFNWVVYDSSLBD-LJIZCISZSA-N 2 1 266.429 2.405 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(CO)ccc2F)C[C@H]1C[NH3+] ZINC000530226980 313285947 /nfs/dbraw/zinc/28/59/47/313285947.db2.gz VJTNSPRHZPCWIM-TYNCELHUSA-N 2 1 280.387 2.123 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1C[NH3+] ZINC000530226980 313285949 /nfs/dbraw/zinc/28/59/49/313285949.db2.gz VJTNSPRHZPCWIM-TYNCELHUSA-N 2 1 280.387 2.123 20 0 CEADMP Cc1nc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000530243654 313288371 /nfs/dbraw/zinc/28/83/71/313288371.db2.gz YPPKYQDEUBGKEU-OAHLLOKOSA-N 2 1 295.452 2.042 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000569691104 314009693 /nfs/dbraw/zinc/00/96/93/314009693.db2.gz MFEQCDVCWAKLBK-UHFFFAOYSA-N 2 1 291.374 2.014 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000575174302 314211735 /nfs/dbraw/zinc/21/17/35/314211735.db2.gz YIQZLYHPKDLYMZ-NSHDSACASA-N 2 1 286.370 2.178 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000575174302 314211738 /nfs/dbraw/zinc/21/17/38/314211738.db2.gz YIQZLYHPKDLYMZ-NSHDSACASA-N 2 1 286.370 2.178 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ncccc2F)c2ccccc21 ZINC000576576162 314289307 /nfs/dbraw/zinc/28/93/07/314289307.db2.gz MUUSWDBXTXIVQN-LSDHHAIUSA-N 2 1 287.338 2.334 20 0 CEADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)Sc1ccccc1 ZINC000576576378 314289461 /nfs/dbraw/zinc/28/94/61/314289461.db2.gz ALHYPLFYOIXULS-DZGCQCFKSA-N 2 1 294.464 2.212 20 0 CEADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)Sc1ccccc1 ZINC000576576378 314289465 /nfs/dbraw/zinc/28/94/65/314289465.db2.gz ALHYPLFYOIXULS-DZGCQCFKSA-N 2 1 294.464 2.212 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000576589931 314291211 /nfs/dbraw/zinc/29/12/11/314291211.db2.gz JKIRIZZKAMMMEL-QGZVFWFLSA-N 2 1 278.440 2.175 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000576696080 314301578 /nfs/dbraw/zinc/30/15/78/314301578.db2.gz CNYGVHPHGMSLTQ-MSOLQXFVSA-N 2 1 290.451 2.158 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000576695414 314301875 /nfs/dbraw/zinc/30/18/75/314301875.db2.gz OSDGKMIZQSUWAJ-CRAIPNDOSA-N 2 1 289.467 2.266 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000576766215 314309249 /nfs/dbraw/zinc/30/92/49/314309249.db2.gz SPDLGIZSUWSSSQ-MRXNPFEDSA-N 2 1 277.412 2.244 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000576766215 314309251 /nfs/dbraw/zinc/30/92/51/314309251.db2.gz SPDLGIZSUWSSSQ-MRXNPFEDSA-N 2 1 277.412 2.244 20 0 CEADMP C[N@@H+]1CC[C@@H]2CC[NH+](CC3Cc4ccccc4C3)[C@H]2C1 ZINC000577431780 314376323 /nfs/dbraw/zinc/37/63/23/314376323.db2.gz BRYSCNORURLQSS-QAPCUYQASA-N 2 1 270.420 2.427 20 0 CEADMP C[N@H+]1CC[C@@H]2CC[NH+](CC3Cc4ccccc4C3)[C@H]2C1 ZINC000577431780 314376326 /nfs/dbraw/zinc/37/63/26/314376326.db2.gz BRYSCNORURLQSS-QAPCUYQASA-N 2 1 270.420 2.427 20 0 CEADMP C[NH+]1CC[C@@H]2CC[N@H+](CC3Cc4ccccc4C3)[C@H]2C1 ZINC000577431780 314376329 /nfs/dbraw/zinc/37/63/29/314376329.db2.gz BRYSCNORURLQSS-QAPCUYQASA-N 2 1 270.420 2.427 20 0 CEADMP C[NH+]1CC[C@@H]2CC[N@@H+](CC3Cc4ccccc4C3)[C@H]2C1 ZINC000577431780 314376332 /nfs/dbraw/zinc/37/63/32/314376332.db2.gz BRYSCNORURLQSS-QAPCUYQASA-N 2 1 270.420 2.427 20 0 CEADMP COc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(F)c1 ZINC000578328259 314468516 /nfs/dbraw/zinc/46/85/16/314468516.db2.gz VYCPJLHQMVWOCH-OAHLLOKOSA-N 2 1 266.360 2.314 20 0 CEADMP C[C@H](CC[NH2+][C@@H](C)c1ccnn1C)[NH+]1CCCCC1 ZINC000193281244 321800973 /nfs/dbraw/zinc/80/09/73/321800973.db2.gz JOOOMIPYPDXFMD-KGLIPLIRSA-N 2 1 264.417 2.335 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000580342025 322312755 /nfs/dbraw/zinc/31/27/55/322312755.db2.gz OZMGFOBILNCPKW-AAEUAGOBSA-N 2 1 270.380 2.250 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000580342025 322312757 /nfs/dbraw/zinc/31/27/57/322312757.db2.gz OZMGFOBILNCPKW-AAEUAGOBSA-N 2 1 270.380 2.250 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CS1 ZINC000580510717 322321956 /nfs/dbraw/zinc/32/19/56/322321956.db2.gz RCRUFKLUNDPPKQ-IHRRRGAJSA-N 2 1 256.459 2.448 20 0 CEADMP COc1cc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)ccn1 ZINC000580602406 322329376 /nfs/dbraw/zinc/32/93/76/322329376.db2.gz FNKRPTLKHPIZTK-NWDGAFQWSA-N 2 1 251.374 2.081 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000580711605 322337723 /nfs/dbraw/zinc/33/77/23/322337723.db2.gz IMRFXQQNYAXXOM-ZIAGYGMSSA-N 2 1 289.423 2.166 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)NCC1CCCCC1 ZINC000580764747 322341702 /nfs/dbraw/zinc/34/17/02/322341702.db2.gz IOECGGFGAJVHAY-CPUCHLNUSA-N 2 1 295.471 2.049 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](c2nc(C3([NH3+])CCCCC3)no2)C1 ZINC000582719979 322497164 /nfs/dbraw/zinc/49/71/64/322497164.db2.gz QIPCIGSSSXKMNA-GHMZBOCLSA-N 2 1 264.373 2.248 20 0 CEADMP Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nn1 ZINC000414372989 533915921 /nfs/dbraw/zinc/91/59/21/533915921.db2.gz QRLOWFZHMYGQPM-UHFFFAOYSA-N 2 1 274.412 2.093 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](CCO)[C@@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414705205 518180797 /nfs/dbraw/zinc/18/07/97/518180797.db2.gz WRWUOANRGPZDMP-IIDMSEBBSA-N 2 1 288.435 2.356 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000365190315 520610507 /nfs/dbraw/zinc/61/05/07/520610507.db2.gz NRCWLXYCFNSFFU-HUUCEWRRSA-N 2 1 254.418 2.077 20 0 CEADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000364867038 521627145 /nfs/dbraw/zinc/62/71/45/521627145.db2.gz XNQIUZHYGXGSHE-ARFHVFGLSA-N 2 1 298.471 2.281 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000357087076 534637397 /nfs/dbraw/zinc/63/73/97/534637397.db2.gz VYJFFOWDYPPZDA-UHFFFAOYSA-N 2 1 286.375 2.280 20 0 CEADMP C[N@H+](Cc1ccnc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000052709588 523453882 /nfs/dbraw/zinc/45/38/82/523453882.db2.gz RMDPNIDGKZVBLX-FUNVUKJBSA-N 2 1 265.788 2.450 20 0 CEADMP C[N@@H+](Cc1ccnc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000052709588 523453889 /nfs/dbraw/zinc/45/38/89/523453889.db2.gz RMDPNIDGKZVBLX-FUNVUKJBSA-N 2 1 265.788 2.450 20 0 CEADMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCn1cc[nH+]c1C ZINC000363458930 523487199 /nfs/dbraw/zinc/48/71/99/523487199.db2.gz DITYKDXWCVLLBW-CVEARBPZSA-N 2 1 276.428 2.140 20 0 CEADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCCn1cc[nH+]c1C ZINC000363458930 523487207 /nfs/dbraw/zinc/48/72/07/523487207.db2.gz DITYKDXWCVLLBW-CVEARBPZSA-N 2 1 276.428 2.140 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2ccncn2)C1 ZINC000363458761 523822408 /nfs/dbraw/zinc/82/24/08/523822408.db2.gz AXSDIOUSCWFKBL-LSDHHAIUSA-N 2 1 274.412 2.140 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2ccncn2)C1 ZINC000363458761 523822415 /nfs/dbraw/zinc/82/24/15/523822415.db2.gz AXSDIOUSCWFKBL-LSDHHAIUSA-N 2 1 274.412 2.140 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000363458761 523822421 /nfs/dbraw/zinc/82/24/21/523822421.db2.gz AXSDIOUSCWFKBL-LSDHHAIUSA-N 2 1 274.412 2.140 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000363458761 523822426 /nfs/dbraw/zinc/82/24/26/523822426.db2.gz AXSDIOUSCWFKBL-LSDHHAIUSA-N 2 1 274.412 2.140 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccccc1F ZINC000358055557 524560909 /nfs/dbraw/zinc/56/09/09/524560909.db2.gz BXPAQALGZFIWML-GXTWGEPZSA-N 2 1 266.360 2.134 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2Cc3ccccc3N(C)C2)CC[N@H+]1C ZINC000364850452 525269321 /nfs/dbraw/zinc/26/93/21/525269321.db2.gz BLKQYJBHCGHFGJ-VYDXJSESSA-N 2 1 287.451 2.367 20 0 CEADMP Cc1cc(N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc[nH+]1 ZINC000364902701 526115542 /nfs/dbraw/zinc/11/55/42/526115542.db2.gz BFDKHFWYUAIETJ-KBRIMQKVSA-N 2 1 289.423 2.113 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000365875093 527427328 /nfs/dbraw/zinc/42/73/28/527427328.db2.gz FRNMNEKGYJNYAK-CQSZACIVSA-N 2 1 279.453 2.428 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC2CC2)[C@H](C)C1 ZINC000174779104 527752664 /nfs/dbraw/zinc/75/26/64/527752664.db2.gz DTLZURUWDGSZME-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC2CC2)[C@H](C)C1 ZINC000174779104 527752658 /nfs/dbraw/zinc/75/26/58/527752658.db2.gz DTLZURUWDGSZME-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC2CC2)[C@H](C)C1 ZINC000174779104 527752668 /nfs/dbraw/zinc/75/26/68/527752668.db2.gz DTLZURUWDGSZME-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[N@H+](CC)C[C@H]1CC ZINC000412392756 528208584 /nfs/dbraw/zinc/20/85/84/528208584.db2.gz CLINUBBKOJCCPQ-CABCVRRESA-N 2 1 283.460 2.096 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC000412392756 528208587 /nfs/dbraw/zinc/20/85/87/528208587.db2.gz CLINUBBKOJCCPQ-CABCVRRESA-N 2 1 283.460 2.096 20 0 CEADMP CCCNC(=O)CCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000411301316 528355931 /nfs/dbraw/zinc/35/59/31/528355931.db2.gz XSQGMAUQYBTUOR-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCNC(=O)CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000411301316 528355935 /nfs/dbraw/zinc/35/59/35/528355935.db2.gz XSQGMAUQYBTUOR-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCNC(=O)CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000411301316 528355940 /nfs/dbraw/zinc/35/59/40/528355940.db2.gz XSQGMAUQYBTUOR-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](CO)CC2CCCCC2)CC1 ZINC000417371707 528988464 /nfs/dbraw/zinc/98/84/64/528988464.db2.gz UWHDGUUXIAIAMP-INIZCTEOSA-N 2 1 268.445 2.392 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(OC)nc2)CC1 ZINC000414068520 528989052 /nfs/dbraw/zinc/98/90/52/528989052.db2.gz QYWCKVPMGYWKGV-CYBMUJFWSA-N 2 1 277.412 2.095 20 0 CEADMP CCc1cccc(F)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357056207 529174092 /nfs/dbraw/zinc/17/40/92/529174092.db2.gz SDGBIXOAQAJOIG-KBPBESRZSA-N 2 1 262.372 2.429 20 0 CEADMP CCc1cccc(F)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357056207 529174096 /nfs/dbraw/zinc/17/40/96/529174096.db2.gz SDGBIXOAQAJOIG-KBPBESRZSA-N 2 1 262.372 2.429 20 0 CEADMP CC[C@@H](C)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000357381480 529327503 /nfs/dbraw/zinc/32/75/03/529327503.db2.gz ZVTZPNQOVMSOPN-NVXWUHKLSA-N 2 1 276.424 2.259 20 0 CEADMP CC[C@@H](C)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000357381480 529327504 /nfs/dbraw/zinc/32/75/04/529327504.db2.gz ZVTZPNQOVMSOPN-NVXWUHKLSA-N 2 1 276.424 2.259 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000741722451 574665054 /nfs/dbraw/zinc/66/50/54/574665054.db2.gz HTYBSBPXBOFGSA-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000741722451 574665055 /nfs/dbraw/zinc/66/50/55/574665055.db2.gz HTYBSBPXBOFGSA-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000741722451 574665056 /nfs/dbraw/zinc/66/50/56/574665056.db2.gz HTYBSBPXBOFGSA-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP C[N@H+](CCCO)C1CC[NH+](CCc2cccs2)CC1 ZINC000734486763 574715151 /nfs/dbraw/zinc/71/51/51/574715151.db2.gz IAEPQGAICDMNFB-UHFFFAOYSA-N 2 1 282.453 2.069 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](CCc2cccs2)CC1 ZINC000734486763 574715155 /nfs/dbraw/zinc/71/51/55/574715155.db2.gz IAEPQGAICDMNFB-UHFFFAOYSA-N 2 1 282.453 2.069 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000741703493 574994691 /nfs/dbraw/zinc/99/46/91/574994691.db2.gz BJMIOAKISYRCMK-CVEARBPZSA-N 2 1 297.487 2.297 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000741703493 574994693 /nfs/dbraw/zinc/99/46/93/574994693.db2.gz BJMIOAKISYRCMK-CVEARBPZSA-N 2 1 297.487 2.297 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000741703493 574994695 /nfs/dbraw/zinc/99/46/95/574994695.db2.gz BJMIOAKISYRCMK-CVEARBPZSA-N 2 1 297.487 2.297 20 0 CEADMP Cc1ccccc1[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000741796036 574998823 /nfs/dbraw/zinc/99/88/23/574998823.db2.gz QWJBLKLSFZAEQN-SJLPKXTDSA-N 2 1 288.435 2.446 20 0 CEADMP CCCCOC(=O)CC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000749117560 575205885 /nfs/dbraw/zinc/20/58/85/575205885.db2.gz VRFVQPIXPKFKJZ-UHFFFAOYSA-N 2 1 270.417 2.136 20 0 CEADMP CCCCOC(=O)CC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000749117560 575205886 /nfs/dbraw/zinc/20/58/86/575205886.db2.gz VRFVQPIXPKFKJZ-UHFFFAOYSA-N 2 1 270.417 2.136 20 0 CEADMP CC(C)=C(C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000751362795 575286956 /nfs/dbraw/zinc/28/69/56/575286956.db2.gz GKNCWBUJDAGFNZ-UHFFFAOYSA-N 2 1 288.395 2.128 20 0 CEADMP CC(C)[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000963908310 613942951 /nfs/dbraw/zinc/94/29/51/613942951.db2.gz QINFEUIQHFHIGU-QQFBHYJXSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000960101674 613951195 /nfs/dbraw/zinc/95/11/95/613951195.db2.gz IRLUPZBSBGRWGA-JYJNAYRXSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000981458682 614031104 /nfs/dbraw/zinc/03/11/04/614031104.db2.gz DWCVDXMUKWRMGM-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000981458682 614031105 /nfs/dbraw/zinc/03/11/05/614031105.db2.gz DWCVDXMUKWRMGM-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000981458682 614031107 /nfs/dbraw/zinc/03/11/07/614031107.db2.gz DWCVDXMUKWRMGM-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000963142818 614145354 /nfs/dbraw/zinc/14/53/54/614145354.db2.gz ZBMBPDLOGSGCLO-GPANFISMSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000972484524 614283421 /nfs/dbraw/zinc/28/34/21/614283421.db2.gz CTMZUGFACHFQCQ-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000972484524 614283424 /nfs/dbraw/zinc/28/34/24/614283424.db2.gz CTMZUGFACHFQCQ-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972484524 614283426 /nfs/dbraw/zinc/28/34/26/614283426.db2.gz CTMZUGFACHFQCQ-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)=CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000981387578 614291395 /nfs/dbraw/zinc/29/13/95/614291395.db2.gz NVSGHZFJAWCZER-INIZCTEOSA-N 2 1 295.471 2.073 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948389305 614335693 /nfs/dbraw/zinc/33/56/93/614335693.db2.gz QSSNOTBSCHIRHG-BZUAXINKSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948389305 614335696 /nfs/dbraw/zinc/33/56/96/614335696.db2.gz QSSNOTBSCHIRHG-BZUAXINKSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948389305 614335698 /nfs/dbraw/zinc/33/56/98/614335698.db2.gz QSSNOTBSCHIRHG-BZUAXINKSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707884 614381080 /nfs/dbraw/zinc/38/10/80/614381080.db2.gz MUMXUIGBJHYBQX-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000972480291 614547667 /nfs/dbraw/zinc/54/76/67/614547667.db2.gz ZDJLYNZHUCBQDS-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH+](C)C(C)C)C2)C1 ZINC000972155912 614667746 /nfs/dbraw/zinc/66/77/46/614667746.db2.gz IFJPMUCKRVMQOA-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@H]([N@H+](C)C(C)C)C2)C1 ZINC000972155912 614667751 /nfs/dbraw/zinc/66/77/51/614667751.db2.gz IFJPMUCKRVMQOA-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@H]([N@@H+](C)C(C)C)C2)C1 ZINC000972155912 614667753 /nfs/dbraw/zinc/66/77/53/614667753.db2.gz IFJPMUCKRVMQOA-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726114 614710914 /nfs/dbraw/zinc/71/09/14/614710914.db2.gz IVRMHKJAWGWVAW-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726114 614710916 /nfs/dbraw/zinc/71/09/16/614710916.db2.gz IVRMHKJAWGWVAW-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726114 614710920 /nfs/dbraw/zinc/71/09/20/614710920.db2.gz IVRMHKJAWGWVAW-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000935359699 625370910 /nfs/dbraw/zinc/37/09/10/625370910.db2.gz KSCUSDHDGQZYDX-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000394242812 622771132 /nfs/dbraw/zinc/77/11/32/622771132.db2.gz QZFQFCCWFSEZFS-OWCLPIDISA-N 2 1 270.461 2.492 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]CCCc2cnccc2C)C1 ZINC000289304676 623178333 /nfs/dbraw/zinc/17/83/33/623178333.db2.gz RHUFVYLYBPORFI-OAHLLOKOSA-N 2 1 261.413 2.254 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000846221859 623361724 /nfs/dbraw/zinc/36/17/24/623361724.db2.gz GZMIXYMXYKYDQT-ZIAGYGMSSA-N 2 1 272.458 2.102 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C12CCC2 ZINC000308370786 623642939 /nfs/dbraw/zinc/64/29/39/623642939.db2.gz PREOFTVHJVCHMZ-HZSPNIEDSA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C12CCC2 ZINC000308370786 623642945 /nfs/dbraw/zinc/64/29/45/623642945.db2.gz PREOFTVHJVCHMZ-HZSPNIEDSA-N 2 1 254.418 2.262 20 0 CEADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1noc2ccccc21 ZINC000926672547 625677783 /nfs/dbraw/zinc/67/77/83/625677783.db2.gz GTOUVGRFHUQEDB-HBBFGDNQSA-N 2 1 271.364 2.258 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1noc2ccccc21 ZINC000926672547 625677802 /nfs/dbraw/zinc/67/78/02/625677802.db2.gz GTOUVGRFHUQEDB-HBBFGDNQSA-N 2 1 271.364 2.258 20 0 CEADMP C[N@H+](C[C@@H]1C[C@@]1(C)Br)C[C@H]1CCC[NH+](C)C1 ZINC000891670178 623879276 /nfs/dbraw/zinc/87/92/76/623879276.db2.gz HNJPUZRKTJXSKE-RWMBFGLXSA-N 2 1 289.261 2.434 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@@]1(C)Br)C[C@H]1CCC[NH+](C)C1 ZINC000891670178 623879288 /nfs/dbraw/zinc/87/92/88/623879288.db2.gz HNJPUZRKTJXSKE-RWMBFGLXSA-N 2 1 289.261 2.434 20 0 CEADMP C[NH+](C[C@@H]1C[C@@]1(C)Br)C[C@H]1CCC[N@H+](C)C1 ZINC000891670178 623879298 /nfs/dbraw/zinc/87/92/98/623879298.db2.gz HNJPUZRKTJXSKE-RWMBFGLXSA-N 2 1 289.261 2.434 20 0 CEADMP C[NH+](C[C@@H]1C[C@@]1(C)Br)C[C@H]1CCC[N@@H+](C)C1 ZINC000891670178 623879310 /nfs/dbraw/zinc/87/93/10/623879310.db2.gz HNJPUZRKTJXSKE-RWMBFGLXSA-N 2 1 289.261 2.434 20 0 CEADMP OCc1c[nH+]ccc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000891780259 623962701 /nfs/dbraw/zinc/96/27/01/623962701.db2.gz VVJIYGHPUFQUAL-KRWDZBQOSA-N 2 1 297.402 2.072 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-n4ccnc4)cc3)C[C@]2(C)C1 ZINC000933740792 623988725 /nfs/dbraw/zinc/98/87/25/623988725.db2.gz SCOXMSMRQIUUKS-AEFFLSMTSA-N 2 1 296.418 2.256 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)C[C@]2(C)C1 ZINC000933740792 623988732 /nfs/dbraw/zinc/98/87/32/623988732.db2.gz SCOXMSMRQIUUKS-AEFFLSMTSA-N 2 1 296.418 2.256 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)C[C@]2(C)C1 ZINC000933740792 623988734 /nfs/dbraw/zinc/98/87/34/623988734.db2.gz SCOXMSMRQIUUKS-AEFFLSMTSA-N 2 1 296.418 2.256 20 0 CEADMP OC[C@@H]1CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000934017700 624167245 /nfs/dbraw/zinc/16/72/45/624167245.db2.gz HCTIZFGZWKYUOL-KRWDZBQOSA-N 2 1 274.408 2.239 20 0 CEADMP c1ccc2c(c1)CC[C@@H]2C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000892059047 624284400 /nfs/dbraw/zinc/28/44/00/624284400.db2.gz SMAMFBUFOKWERQ-HLLBOEOZSA-N 2 1 256.393 2.400 20 0 CEADMP c1ccc2c(c1)CC[C@@H]2C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000892059047 624284401 /nfs/dbraw/zinc/28/44/01/624284401.db2.gz SMAMFBUFOKWERQ-HLLBOEOZSA-N 2 1 256.393 2.400 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000104181865 624320694 /nfs/dbraw/zinc/32/06/94/624320694.db2.gz ZHCCHQDOOYWSKC-OAHLLOKOSA-N 2 1 253.434 2.066 20 0 CEADMP [NH3+]CCCCCCCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000104181865 624320696 /nfs/dbraw/zinc/32/06/96/624320696.db2.gz ZHCCHQDOOYWSKC-OAHLLOKOSA-N 2 1 253.434 2.066 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCOC12CCCC2 ZINC000934380558 624455495 /nfs/dbraw/zinc/45/54/95/624455495.db2.gz CANYRMLUTYLGSI-CQSZACIVSA-N 2 1 263.385 2.044 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000743854453 624928596 /nfs/dbraw/zinc/92/85/96/624928596.db2.gz XTMNHNROBHOMDM-QKPAOTATSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000743854453 624928598 /nfs/dbraw/zinc/92/85/98/624928598.db2.gz XTMNHNROBHOMDM-QKPAOTATSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@@H]1CC2(CC([NH2+]CC[C@@H]3CCC[N@@H+](C)C3)C2)CO1 ZINC000926571834 625136167 /nfs/dbraw/zinc/13/61/67/625136167.db2.gz DLHQDOZJGPWDAO-QVOMUQBLSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001024959327 625927951 /nfs/dbraw/zinc/92/79/51/625927951.db2.gz VBZJMXQVFPLRGO-CVEARBPZSA-N 2 1 295.471 2.238 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2CCCO)CC1 ZINC000924571791 625929761 /nfs/dbraw/zinc/92/97/61/625929761.db2.gz WFOPBYAWBYZAFD-ZBFHGGJFSA-N 2 1 268.445 2.392 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CCCO)CC1 ZINC000820805773 634532243 /nfs/dbraw/zinc/53/22/43/634532243.db2.gz RGYHIMJUVPBWIK-ZFWWWQNUSA-N 2 1 254.418 2.002 20 0 CEADMP CC(=O)OC[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000892585523 627290692 /nfs/dbraw/zinc/29/06/92/627290692.db2.gz VDBPXJKKERMBGN-KGLIPLIRSA-N 2 1 270.417 2.182 20 0 CEADMP CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001025105293 627334565 /nfs/dbraw/zinc/33/45/65/627334565.db2.gz SHJLYJJAAZDMSP-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(F)c1F ZINC000926788502 627370315 /nfs/dbraw/zinc/37/03/15/627370315.db2.gz GUCAAYWHSGGDFE-ODOQXGPZSA-N 2 1 266.335 2.395 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(F)c1F ZINC000926788502 627370316 /nfs/dbraw/zinc/37/03/16/627370316.db2.gz GUCAAYWHSGGDFE-ODOQXGPZSA-N 2 1 266.335 2.395 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000892669572 627379865 /nfs/dbraw/zinc/37/98/65/627379865.db2.gz URJSYTTZFQVZBU-ZSNVMCELSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892669572 627379870 /nfs/dbraw/zinc/37/98/70/627379870.db2.gz URJSYTTZFQVZBU-ZSNVMCELSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892669572 627379874 /nfs/dbraw/zinc/37/98/74/627379874.db2.gz URJSYTTZFQVZBU-ZSNVMCELSA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902320717 634569279 /nfs/dbraw/zinc/56/92/79/634569279.db2.gz QXEFTMRPEHALJP-CABCVRRESA-N 2 1 269.477 2.331 20 0 CEADMP C[C@H]1CC[C@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000783230486 627398675 /nfs/dbraw/zinc/39/86/75/627398675.db2.gz LSTLVPWYRLGVCJ-BYNSBNAKSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCC(C)(C)CC1 ZINC000311762221 627698256 /nfs/dbraw/zinc/69/82/56/627698256.db2.gz VDCVQUSTAQLXIG-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCC(C)(C)CC1 ZINC000311762221 627698260 /nfs/dbraw/zinc/69/82/60/627698260.db2.gz VDCVQUSTAQLXIG-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP C[N@@H+](CCCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)Cc1ccccc1 ZINC000328457702 627884832 /nfs/dbraw/zinc/88/48/32/627884832.db2.gz SCVHAXYLAJMKCR-FKSLSLAPSA-N 2 1 299.462 2.095 20 0 CEADMP C[N@@H+](CCCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)Cc1ccccc1 ZINC000328457704 627885417 /nfs/dbraw/zinc/88/54/17/627885417.db2.gz SCVHAXYLAJMKCR-LTFXXXRZSA-N 2 1 299.462 2.095 20 0 CEADMP CCOc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)o1 ZINC000892951940 627889712 /nfs/dbraw/zinc/88/97/12/627889712.db2.gz TUAPLVNZMIJDQF-AWEZNQCLSA-N 2 1 296.411 2.005 20 0 CEADMP CCc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)s1 ZINC000328559492 627890834 /nfs/dbraw/zinc/89/08/34/627890834.db2.gz DRYXYZYIZSQGCQ-PFRZNRPLSA-N 2 1 262.422 2.397 20 0 CEADMP CCc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)s1 ZINC000328559491 627890986 /nfs/dbraw/zinc/89/09/86/627890986.db2.gz DRYXYZYIZSQGCQ-FQOPFDEGSA-N 2 1 262.422 2.397 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]CC2([NH3+])CC2)c(C)c1OC ZINC000902405601 634620426 /nfs/dbraw/zinc/62/04/26/634620426.db2.gz JGVHQACNVKGUHM-LLVKDONJSA-N 2 1 278.396 2.024 20 0 CEADMP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000893099210 628003740 /nfs/dbraw/zinc/00/37/40/628003740.db2.gz XWMIPRHBBDIXEM-SITIDJHUSA-N 2 1 298.496 2.281 20 0 CEADMP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000893099210 628003743 /nfs/dbraw/zinc/00/37/43/628003743.db2.gz XWMIPRHBBDIXEM-SITIDJHUSA-N 2 1 298.496 2.281 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000312054027 628086825 /nfs/dbraw/zinc/08/68/25/628086825.db2.gz YDNBKIYFXFZQAI-ZBFHGGJFSA-N 2 1 260.381 2.058 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000312054027 628086826 /nfs/dbraw/zinc/08/68/26/628086826.db2.gz YDNBKIYFXFZQAI-ZBFHGGJFSA-N 2 1 260.381 2.058 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])NC1CCCCCC1 ZINC000092277359 628094873 /nfs/dbraw/zinc/09/48/73/628094873.db2.gz ICSKNGYLBXNDFC-CQSZACIVSA-N 2 1 280.460 2.488 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902389811 634631051 /nfs/dbraw/zinc/63/10/51/634631051.db2.gz ALXBRJGJIGCTJZ-OAHLLOKOSA-N 3 1 285.382 2.334 20 0 CEADMP CC[C@](O)(C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C(F)(F)F ZINC000930602193 628134137 /nfs/dbraw/zinc/13/41/37/628134137.db2.gz MUYINUSHHMHELO-STQMWFEESA-N 2 1 294.361 2.108 20 0 CEADMP CC[C@](O)(C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C(F)(F)F ZINC000930602193 628134140 /nfs/dbraw/zinc/13/41/40/628134140.db2.gz MUYINUSHHMHELO-STQMWFEESA-N 2 1 294.361 2.108 20 0 CEADMP CC[C@](O)(C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)C(F)(F)F ZINC000930602193 628134143 /nfs/dbraw/zinc/13/41/43/628134143.db2.gz MUYINUSHHMHELO-STQMWFEESA-N 2 1 294.361 2.108 20 0 CEADMP CC[C@](O)(C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)C(F)(F)F ZINC000930602193 628134144 /nfs/dbraw/zinc/13/41/44/628134144.db2.gz MUYINUSHHMHELO-STQMWFEESA-N 2 1 294.361 2.108 20 0 CEADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccccc1)[C@@H](C)N ZINC000925539657 628161573 /nfs/dbraw/zinc/16/15/73/628161573.db2.gz CKLJPOZMMZRFRT-DJIMGWMZSA-N 2 1 293.455 2.021 20 0 CEADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccccc1)[C@H](C)N ZINC000925539665 628161594 /nfs/dbraw/zinc/16/15/94/628161594.db2.gz CKLJPOZMMZRFRT-USXIJHARSA-N 2 1 293.455 2.021 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000925541251 628166917 /nfs/dbraw/zinc/16/69/17/628166917.db2.gz BDSCKVNEAPYPOW-SJORKVTESA-N 2 1 287.451 2.381 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CC2)c2ccccc21 ZINC000902404171 634639957 /nfs/dbraw/zinc/63/99/57/634639957.db2.gz COEOSSZXGGLOJC-HUUCEWRRSA-N 2 1 288.391 2.249 20 0 CEADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925571527 628245370 /nfs/dbraw/zinc/24/53/70/628245370.db2.gz DYWSZBWJGLZCCK-BHTHQVBYSA-N 2 1 280.387 2.368 20 0 CEADMP C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925613436 628295307 /nfs/dbraw/zinc/29/53/07/628295307.db2.gz DAICVPPVGVSSEM-UMVBOHGHSA-N 2 1 278.396 2.356 20 0 CEADMP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925620122 628310057 /nfs/dbraw/zinc/31/00/57/628310057.db2.gz UIUBXAUAFDMAMW-HOTGVXAUSA-N 2 1 299.422 2.491 20 0 CEADMP COc1ccc(OC)c(CCC[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000925629025 628324423 /nfs/dbraw/zinc/32/44/23/628324423.db2.gz JWRASUVNQRZLSX-BBRMVZONSA-N 2 1 292.423 2.367 20 0 CEADMP C[NH+](C)CC1(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCCC1 ZINC000925640950 628339603 /nfs/dbraw/zinc/33/96/03/628339603.db2.gz WIBCUAZSEWIVSP-OWCLPIDISA-N 3 1 293.499 2.475 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@](C)(O)c1ccccc1 ZINC000925642332 628339975 /nfs/dbraw/zinc/33/99/75/628339975.db2.gz FWPKCGTXBWPIJY-NUEKZKHPSA-N 2 1 262.397 2.014 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)C1CCOCC1 ZINC000902428813 634650378 /nfs/dbraw/zinc/65/03/78/634650378.db2.gz ARACCLGCOLBBSM-OCCSQVGLSA-N 2 1 254.418 2.169 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccnn1C ZINC000925650382 628353201 /nfs/dbraw/zinc/35/32/01/628353201.db2.gz UFOQILJSNQLUPH-HOCLYGCPSA-N 2 1 290.455 2.424 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925684381 628489128 /nfs/dbraw/zinc/48/91/28/628489128.db2.gz ALDODEHPAXTTHJ-QLFBSQMISA-N 3 1 267.461 2.214 20 0 CEADMP C[N@@H+]1C[C@]2(C)C[NH+](CCC3CCOCC3)C[C@]2(C)C1 ZINC000931314383 628515866 /nfs/dbraw/zinc/51/58/66/628515866.db2.gz NHHRJPGCJBOTSS-IYBDPMFKSA-N 2 1 266.429 2.077 20 0 CEADMP C[N@H+]1C[C@]2(C)C[NH+](CCC3CCOCC3)C[C@]2(C)C1 ZINC000931314383 628515869 /nfs/dbraw/zinc/51/58/69/628515869.db2.gz NHHRJPGCJBOTSS-IYBDPMFKSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+]1C[C@]2(C)C[N@H+](CCC3CCOCC3)C[C@]2(C)C1 ZINC000931314383 628515871 /nfs/dbraw/zinc/51/58/71/628515871.db2.gz NHHRJPGCJBOTSS-IYBDPMFKSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+]1C[C@]2(C)C[N@@H+](CCC3CCOCC3)C[C@]2(C)C1 ZINC000931314383 628515873 /nfs/dbraw/zinc/51/58/73/628515873.db2.gz NHHRJPGCJBOTSS-IYBDPMFKSA-N 2 1 266.429 2.077 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000925697164 628532840 /nfs/dbraw/zinc/53/28/40/628532840.db2.gz YYQLQMVBFZFFPZ-QCEMKRCNSA-N 2 1 275.396 2.032 20 0 CEADMP C[NH+](C)C1(C)CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000931355654 628539187 /nfs/dbraw/zinc/53/91/87/628539187.db2.gz UQKHLVNGNKOAKS-KKUMJFAQSA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccccn1 ZINC000925709767 628558010 /nfs/dbraw/zinc/55/80/10/628558010.db2.gz AAHBBYDCLCWVTH-ZFWWWQNUSA-N 2 1 259.397 2.449 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H]1COCC1(C)C)[NH+]1CCCC1 ZINC000312975344 628571484 /nfs/dbraw/zinc/57/14/84/628571484.db2.gz CIXMLEKQDMITTL-ZIAGYGMSSA-N 2 1 254.418 2.121 20 0 CEADMP CCOC[C@H]1CCCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000313214344 628583795 /nfs/dbraw/zinc/58/37/95/628583795.db2.gz OINGKVXOPFPPEW-CABCVRRESA-N 2 1 254.418 2.267 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH2+]C3(C)C)C2)cc1 ZINC000925721871 628589880 /nfs/dbraw/zinc/58/98/80/628589880.db2.gz HNNRCXWRHCRBDF-DLBZAZTESA-N 2 1 287.451 2.299 20 0 CEADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902476024 634667343 /nfs/dbraw/zinc/66/73/43/634667343.db2.gz LZNSEXUAZDQSPH-XHJNMGKDSA-N 2 1 252.402 2.063 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)C12CCC2 ZINC000925723513 628608492 /nfs/dbraw/zinc/60/84/92/628608492.db2.gz WZIWFSALLAQSRA-RYUDHWBXSA-N 2 1 252.308 2.324 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902446839 634670490 /nfs/dbraw/zinc/67/04/90/634670490.db2.gz VLCCCCLIITYQCD-RISCZKNCSA-N 2 1 250.361 2.344 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)[C@@H]1CCCC[NH2+]1 ZINC000925773214 628781877 /nfs/dbraw/zinc/78/18/77/628781877.db2.gz MNKBKUONPAPRSQ-IHRRRGAJSA-N 2 1 252.402 2.066 20 0 CEADMP COc1ccc(F)cc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000925775623 628795539 /nfs/dbraw/zinc/79/55/39/628795539.db2.gz RCLVUNCSCXXALB-BXUZGUMPSA-N 2 1 266.360 2.107 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1c[nH+]ccc1N ZINC000925775631 628795720 /nfs/dbraw/zinc/79/57/20/628795720.db2.gz REUJBCAVOKKOSD-CHWSQXEVSA-N 2 1 275.396 2.494 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000902491439 634688928 /nfs/dbraw/zinc/68/89/28/634688928.db2.gz XVKISGZRKDNCMC-OWLYRPNTSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000902491439 634688932 /nfs/dbraw/zinc/68/89/32/634688932.db2.gz XVKISGZRKDNCMC-OWLYRPNTSA-N 3 1 287.451 2.366 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925804283 628853638 /nfs/dbraw/zinc/85/36/38/628853638.db2.gz GEOOSYYRZBCGQP-INIZCTEOSA-N 2 1 284.407 2.145 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cnn(C2CCC2)c1 ZINC000925811101 628862411 /nfs/dbraw/zinc/86/24/11/628862411.db2.gz CBXAEHLZRDQKRU-TZMCWYRMSA-N 2 1 285.395 2.470 20 0 CEADMP C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)c1c[nH+]ccc1N ZINC000925822299 628888440 /nfs/dbraw/zinc/88/84/40/628888440.db2.gz LOBBKTYVAKRXGQ-BDJLRTHQSA-N 2 1 289.354 2.192 20 0 CEADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925848087 628951755 /nfs/dbraw/zinc/95/17/55/628951755.db2.gz ZVTCGBDJQOLLBT-HZPDHXFCSA-N 2 1 281.488 2.476 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000925855849 628958893 /nfs/dbraw/zinc/95/88/93/628958893.db2.gz DHTXIWFGFXRUSV-JWMHWRSXSA-N 3 1 265.445 2.124 20 0 CEADMP Cc1cc(F)c(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c(F)c1 ZINC000925874023 628973565 /nfs/dbraw/zinc/97/35/65/628973565.db2.gz GRICXQUTUYTGRC-IFUGULHKSA-N 2 1 284.350 2.115 20 0 CEADMP CCC[NH2+]CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000261669817 628980884 /nfs/dbraw/zinc/98/08/84/628980884.db2.gz PEBSEHGDEHFQMM-CQSZACIVSA-N 2 1 297.830 2.059 20 0 CEADMP Cc1coc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000894093418 629120845 /nfs/dbraw/zinc/12/08/45/629120845.db2.gz FIKIGQSUMYVTJX-CWRNSKLLSA-N 2 1 278.396 2.272 20 0 CEADMP Cc1coc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000894093418 629120848 /nfs/dbraw/zinc/12/08/48/629120848.db2.gz FIKIGQSUMYVTJX-CWRNSKLLSA-N 2 1 278.396 2.272 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2c[nH]cn2)C1 ZINC000894180399 629194107 /nfs/dbraw/zinc/19/41/07/629194107.db2.gz GCSSFIQLLCQBCY-ZIAGYGMSSA-N 2 1 264.417 2.257 20 0 CEADMP CC[N@H+](CC[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)C(C)C ZINC000924908025 629243135 /nfs/dbraw/zinc/24/31/35/629243135.db2.gz FLKAEELLVWEZAS-IRXDYDNUSA-N 2 1 292.471 2.451 20 0 CEADMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1)C(C)C ZINC000924908025 629243138 /nfs/dbraw/zinc/24/31/38/629243138.db2.gz FLKAEELLVWEZAS-IRXDYDNUSA-N 2 1 292.471 2.451 20 0 CEADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261804485 629248200 /nfs/dbraw/zinc/24/82/00/629248200.db2.gz ZCLKOQDBEDPEQK-IAGOWNOFSA-N 2 1 291.414 2.256 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(C)ccnc1N ZINC000894287371 629307306 /nfs/dbraw/zinc/30/73/06/629307306.db2.gz FLBOEZIBQFKAQP-UHFFFAOYSA-N 2 1 273.384 2.047 20 0 CEADMP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000925009490 629349158 /nfs/dbraw/zinc/34/91/58/629349158.db2.gz HNEDZYWEQNKZQH-OIISXLGYSA-N 2 1 290.455 2.063 20 0 CEADMP Cc1noc2ncc(C[NH2+][C@H]3CCC[C@H]([NH+](C)C)C3)cc12 ZINC000894318095 629349443 /nfs/dbraw/zinc/34/94/43/629349443.db2.gz YMPYILDSAGTNFP-KBPBESRZSA-N 2 1 288.395 2.494 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925023627 629370940 /nfs/dbraw/zinc/37/09/40/629370940.db2.gz NPGXNDDEAAFNAZ-HZMVEIRTSA-N 2 1 278.440 2.168 20 0 CEADMP C[C@H](C[NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000894378509 629410011 /nfs/dbraw/zinc/41/00/11/629410011.db2.gz UFLQZIGLLSEZDT-QGZVFWFLSA-N 2 1 289.467 2.407 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cnc1F ZINC000894455209 629472005 /nfs/dbraw/zinc/47/20/05/629472005.db2.gz HMYJYKJEOCNJRQ-ZDUSSCGKSA-N 2 1 265.376 2.349 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cnc1F ZINC000894455209 629472007 /nfs/dbraw/zinc/47/20/07/629472007.db2.gz HMYJYKJEOCNJRQ-ZDUSSCGKSA-N 2 1 265.376 2.349 20 0 CEADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)cnc1F ZINC000894807718 629652275 /nfs/dbraw/zinc/65/22/75/629652275.db2.gz WILIFEFUUVSPNB-UHFFFAOYSA-N 2 1 265.376 2.493 20 0 CEADMP C([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCC2(CC1)OCCO2 ZINC000795900977 629705288 /nfs/dbraw/zinc/70/52/88/629705288.db2.gz ZPXDRARLAVXDDP-JKSUJKDBSA-N 2 1 294.439 2.136 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1CCC2(CC1)OCCO2 ZINC000795900977 629705294 /nfs/dbraw/zinc/70/52/94/629705294.db2.gz ZPXDRARLAVXDDP-JKSUJKDBSA-N 2 1 294.439 2.136 20 0 CEADMP COc1ccc([C@@H](C)[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000909415166 629724514 /nfs/dbraw/zinc/72/45/14/629724514.db2.gz QNTCWXCQJIHRMA-ZBFHGGJFSA-N 2 1 292.423 2.145 20 0 CEADMP CNc1cc(NCCC2CC[NH+](C(C)C)CC2)nc[nH+]1 ZINC000894973654 629775520 /nfs/dbraw/zinc/77/55/20/629775520.db2.gz WJWJYKURHIPJRE-UHFFFAOYSA-N 2 1 277.416 2.441 20 0 CEADMP CNc1cc(NCCC2CC[NH+](C(C)C)CC2)[nH+]cn1 ZINC000894973654 629775522 /nfs/dbraw/zinc/77/55/22/629775522.db2.gz WJWJYKURHIPJRE-UHFFFAOYSA-N 2 1 277.416 2.441 20 0 CEADMP CSC(C)(C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796314465 629840168 /nfs/dbraw/zinc/84/01/68/629840168.db2.gz FKURBDCOJZVCIH-UHFFFAOYSA-N 2 1 273.471 2.436 20 0 CEADMP C[C@@H](CC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)[NH+](C)C ZINC000895292649 630084679 /nfs/dbraw/zinc/08/46/79/630084679.db2.gz SVMGFILNLNYVJB-YOEHRIQHSA-N 2 1 292.423 2.284 20 0 CEADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895377557 630148601 /nfs/dbraw/zinc/14/86/01/630148601.db2.gz MCXXBYJUQOYPRT-WFASDCNBSA-N 2 1 264.417 2.270 20 0 CEADMP Cc1n[nH]cc1C[N@@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895377557 630148605 /nfs/dbraw/zinc/14/86/05/630148605.db2.gz MCXXBYJUQOYPRT-WFASDCNBSA-N 2 1 264.417 2.270 20 0 CEADMP Cc1cn[nH]c1CN1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895380330 630151147 /nfs/dbraw/zinc/15/11/47/630151147.db2.gz OIKNCEONYGXZPU-DZGCQCFKSA-N 2 1 264.417 2.270 20 0 CEADMP Cc1noc2ncc(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)cc12 ZINC000895392839 630162082 /nfs/dbraw/zinc/16/20/82/630162082.db2.gz SSOHNGKLOUQERE-ZDUSSCGKSA-N 2 1 288.395 2.353 20 0 CEADMP Cc1noc2ncc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)cc12 ZINC000895392839 630162085 /nfs/dbraw/zinc/16/20/85/630162085.db2.gz SSOHNGKLOUQERE-ZDUSSCGKSA-N 2 1 288.395 2.353 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CCCC1 ZINC000902728912 634798034 /nfs/dbraw/zinc/79/80/34/634798034.db2.gz CDPUOQQYABNZNG-RFBLXINOSA-N 2 1 278.440 2.264 20 0 CEADMP CCn1cc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)n1 ZINC000895479923 630214071 /nfs/dbraw/zinc/21/40/71/630214071.db2.gz XPOGAPQUZNKXKA-INIZCTEOSA-N 2 1 290.455 2.423 20 0 CEADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)n1 ZINC000895479923 630214073 /nfs/dbraw/zinc/21/40/73/630214073.db2.gz XPOGAPQUZNKXKA-INIZCTEOSA-N 2 1 290.455 2.423 20 0 CEADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)n1 ZINC000895479923 630214076 /nfs/dbraw/zinc/21/40/76/630214076.db2.gz XPOGAPQUZNKXKA-INIZCTEOSA-N 2 1 290.455 2.423 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1COc2ccccc2C1 ZINC000902727900 634796840 /nfs/dbraw/zinc/79/68/40/634796840.db2.gz GENJQOKNILJRPD-UKRRQHHQSA-N 2 1 274.408 2.310 20 0 CEADMP CCn1cncc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895556645 630248393 /nfs/dbraw/zinc/24/83/93/630248393.db2.gz LRLHXCGGWJSIGG-CQSZACIVSA-N 2 1 285.395 2.009 20 0 CEADMP CCn1cncc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895556645 630248394 /nfs/dbraw/zinc/24/83/94/630248394.db2.gz LRLHXCGGWJSIGG-CQSZACIVSA-N 2 1 285.395 2.009 20 0 CEADMP Cc1cc(F)ncc1CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000895587212 630261981 /nfs/dbraw/zinc/26/19/81/630261981.db2.gz LJMBJSNLUPTTAQ-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000895587212 630261984 /nfs/dbraw/zinc/26/19/84/630261984.db2.gz LJMBJSNLUPTTAQ-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000895587212 630261985 /nfs/dbraw/zinc/26/19/85/630261985.db2.gz LJMBJSNLUPTTAQ-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP Cc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)nn1 ZINC000895683887 630305947 /nfs/dbraw/zinc/30/59/47/630305947.db2.gz XAQYMCVQSJYXKD-UHFFFAOYSA-N 2 1 276.428 2.483 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000895813955 630358853 /nfs/dbraw/zinc/35/88/53/630358853.db2.gz NPSJRNLKGXIKBP-LSDHHAIUSA-N 2 1 297.487 2.486 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@]3(C)Br)CC[C@@H]21 ZINC000895843212 630366929 /nfs/dbraw/zinc/36/69/29/630366929.db2.gz NXPFFDBCHVMGPF-VOAKCMCISA-N 2 1 287.245 2.186 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@]3(C)Br)CC[C@@H]21 ZINC000895843212 630366931 /nfs/dbraw/zinc/36/69/31/630366931.db2.gz NXPFFDBCHVMGPF-VOAKCMCISA-N 2 1 287.245 2.186 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3C[C@]3(C)Br)CC[C@@H]21 ZINC000895843212 630366936 /nfs/dbraw/zinc/36/69/36/630366936.db2.gz NXPFFDBCHVMGPF-VOAKCMCISA-N 2 1 287.245 2.186 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3C[C@]3(C)Br)CC[C@@H]21 ZINC000895843212 630366940 /nfs/dbraw/zinc/36/69/40/630366940.db2.gz NXPFFDBCHVMGPF-VOAKCMCISA-N 2 1 287.245 2.186 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H](c3nccs3)C2)CC1 ZINC000896003315 630430206 /nfs/dbraw/zinc/43/02/06/630430206.db2.gz QPJGJODNFDKXRW-ZDUSSCGKSA-N 2 1 265.426 2.274 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC=CO2)[C@H]2CCC[C@H]21 ZINC000796950195 631012148 /nfs/dbraw/zinc/01/21/48/631012148.db2.gz SXPQANCULYVELE-LJISPDSOSA-N 2 1 250.386 2.142 20 0 CEADMP C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@@H]1CCCOC1 ZINC000904317580 635564911 /nfs/dbraw/zinc/56/49/11/635564911.db2.gz HSSZLKSRTVRMBQ-UONOGXRCSA-N 2 1 256.434 2.498 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@H](CCO)C1 ZINC000904318927 635566390 /nfs/dbraw/zinc/56/63/90/635566390.db2.gz ZRQJFCDBVMIQOU-KGLIPLIRSA-N 2 1 256.434 2.234 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@H](CCO)C1 ZINC000904318927 635566393 /nfs/dbraw/zinc/56/63/93/635566393.db2.gz ZRQJFCDBVMIQOU-KGLIPLIRSA-N 2 1 256.434 2.234 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000314711180 631063834 /nfs/dbraw/zinc/06/38/34/631063834.db2.gz DASBFWWACTYUBZ-INIZCTEOSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCc2c(F)cc(O)cc2F)CC[N@H+]1C ZINC000897304561 631069594 /nfs/dbraw/zinc/06/95/94/631069594.db2.gz GMPIQDXTQNZXKP-QWRGUYRKSA-N 2 1 284.350 2.285 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](COc3ccccc3)C2)C1 ZINC000904333418 635577704 /nfs/dbraw/zinc/57/77/04/635577704.db2.gz YTRCZOXKOMIUQC-KFWWJZLASA-N 2 1 260.381 2.125 20 0 CEADMP C[NH+]1CCC([NH2+]CC[C@H]2CCC(C)(C)CO2)CC1 ZINC000897478095 631550775 /nfs/dbraw/zinc/55/07/75/631550775.db2.gz KOVSJCFPRXSBJH-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904421232 635632961 /nfs/dbraw/zinc/63/29/61/635632961.db2.gz UVDIBZNOYCYSQE-JKSUJKDBSA-N 2 1 296.418 2.426 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904421053 635633450 /nfs/dbraw/zinc/63/34/50/635633450.db2.gz MQIMXZOIELDIQP-JKSUJKDBSA-N 2 1 296.418 2.426 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ncc[nH]1 ZINC000067691302 631668272 /nfs/dbraw/zinc/66/82/72/631668272.db2.gz STEXPGOLSZQUMV-CYBMUJFWSA-N 2 1 250.390 2.154 20 0 CEADMP Cc1ccc(CN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)s1 ZINC000897621641 631826089 /nfs/dbraw/zinc/82/60/89/631826089.db2.gz LUBOAONKYRATNJ-OCCSQVGLSA-N 2 1 250.411 2.440 20 0 CEADMP Cc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@@]3(C)C2)s1 ZINC000897621641 631826092 /nfs/dbraw/zinc/82/60/92/631826092.db2.gz LUBOAONKYRATNJ-OCCSQVGLSA-N 2 1 250.411 2.440 20 0 CEADMP Cc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@@]3(C)C2)s1 ZINC000897621641 631826094 /nfs/dbraw/zinc/82/60/94/631826094.db2.gz LUBOAONKYRATNJ-OCCSQVGLSA-N 2 1 250.411 2.440 20 0 CEADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)s1 ZINC000897621641 631826098 /nfs/dbraw/zinc/82/60/98/631826098.db2.gz LUBOAONKYRATNJ-OCCSQVGLSA-N 2 1 250.411 2.440 20 0 CEADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)s1 ZINC000897621641 631826101 /nfs/dbraw/zinc/82/61/01/631826101.db2.gz LUBOAONKYRATNJ-OCCSQVGLSA-N 2 1 250.411 2.440 20 0 CEADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)s1 ZINC000897621641 631826113 /nfs/dbraw/zinc/82/61/13/631826113.db2.gz LUBOAONKYRATNJ-OCCSQVGLSA-N 2 1 250.411 2.440 20 0 CEADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)s1 ZINC000897621641 631826117 /nfs/dbraw/zinc/82/61/17/631826117.db2.gz LUBOAONKYRATNJ-OCCSQVGLSA-N 2 1 250.411 2.440 20 0 CEADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)cc1 ZINC000897821751 631931417 /nfs/dbraw/zinc/93/14/17/631931417.db2.gz MLOKSXZXFZCEDN-LFDJNIOPSA-N 2 1 298.430 2.416 20 0 CEADMP C1CCC2(C1)OCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000898110227 632054166 /nfs/dbraw/zinc/05/41/66/632054166.db2.gz DEXJHCGOWPYFNP-ZNMIVQPWSA-N 2 1 264.413 2.305 20 0 CEADMP C[NH+](C)[C@@H]1C[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)C1(C)C ZINC000898100747 632064508 /nfs/dbraw/zinc/06/45/08/632064508.db2.gz FKBGULIANMICGK-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000809735685 632134611 /nfs/dbraw/zinc/13/46/11/632134611.db2.gz OSVISRHPOFPXHT-MRXNPFEDSA-N 2 1 296.455 2.240 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC1CCC2(CC1)OCCO2 ZINC000809764792 632143766 /nfs/dbraw/zinc/14/37/66/632143766.db2.gz ISZGLAUTPREBGJ-HOCLYGCPSA-N 2 1 296.455 2.192 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC1CCC2(CC1)OCCO2 ZINC000809764792 632143767 /nfs/dbraw/zinc/14/37/67/632143767.db2.gz ISZGLAUTPREBGJ-HOCLYGCPSA-N 2 1 296.455 2.192 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC1CCC2(CC1)OCCO2 ZINC000809764792 632143770 /nfs/dbraw/zinc/14/37/70/632143770.db2.gz ISZGLAUTPREBGJ-HOCLYGCPSA-N 2 1 296.455 2.192 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC1CCC2(CC1)OCCO2 ZINC000809764792 632143772 /nfs/dbraw/zinc/14/37/72/632143772.db2.gz ISZGLAUTPREBGJ-HOCLYGCPSA-N 2 1 296.455 2.192 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000810244382 632197904 /nfs/dbraw/zinc/19/79/04/632197904.db2.gz CSSRWAWNXOLZLC-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000810244382 632197909 /nfs/dbraw/zinc/19/79/09/632197909.db2.gz CSSRWAWNXOLZLC-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CCCC[N@H+]1CCCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000989728733 632232791 /nfs/dbraw/zinc/23/27/91/632232791.db2.gz SYBNJPRAIVGMQJ-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP OCc1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000323443693 632377448 /nfs/dbraw/zinc/37/74/48/632377448.db2.gz ZVUCVMVSLJLNSI-UHFFFAOYSA-N 2 1 297.402 2.286 20 0 CEADMP CCO[C@H](C[NH2+][C@H](C)Cc1ccc(OC)cc1)C[NH+](C)C ZINC000926960680 632387659 /nfs/dbraw/zinc/38/76/59/632387659.db2.gz GMEHYNUKENDTLZ-RHSMWYFYSA-N 2 1 294.439 2.183 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H](C)CCC(F)(F)F)C[NH+](C)C ZINC000926961524 632388178 /nfs/dbraw/zinc/38/81/78/632388178.db2.gz PIPUZIIFTDAVFC-QWRGUYRKSA-N 2 1 270.339 2.274 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000873234424 632410631 /nfs/dbraw/zinc/41/06/31/632410631.db2.gz FCNDAVWHZKODGQ-HZSPNIEDSA-N 2 1 254.418 2.312 20 0 CEADMP Cc1[nH+]ccn1-c1ncccc1CNc1cc[nH+]cc1C ZINC000811826421 632451389 /nfs/dbraw/zinc/45/13/89/632451389.db2.gz ZBLFNEVCKZAOQG-UHFFFAOYSA-N 2 1 279.347 2.313 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)C1CC1 ZINC000924716230 632458221 /nfs/dbraw/zinc/45/82/21/632458221.db2.gz ITAIPTSIHSTNDK-OAGGEKHMSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)C(C)(C)CO ZINC000924739998 632594727 /nfs/dbraw/zinc/59/47/27/632594727.db2.gz RBFGFADEJPROFJ-FMKPAKJESA-N 2 1 270.461 2.494 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814642866 632872974 /nfs/dbraw/zinc/87/29/74/632872974.db2.gz UGVBEJSGEUWNCC-ROUUACIJSA-N 2 1 288.435 2.323 20 0 CEADMP CC(C)[NH+](Cc1cn(-c2cc[nH+]cc2)nn1)C(C)C ZINC000899693216 632958277 /nfs/dbraw/zinc/95/82/77/632958277.db2.gz NYKDMCICYQCGQM-UHFFFAOYSA-N 2 1 259.357 2.281 20 0 CEADMP CC[C@](O)(C[NH2+]CC(C)(C)C[NH+]1CCCC1)C(F)(F)F ZINC000905229829 635874204 /nfs/dbraw/zinc/87/42/04/635874204.db2.gz KIHCLGJJOIYKRQ-ZDUSSCGKSA-N 2 1 296.377 2.401 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+]2C[C@H](O)c2ccccc2F)CC1 ZINC000899911457 633096269 /nfs/dbraw/zinc/09/62/69/633096269.db2.gz USFAJCFMTABNBB-HNNXBMFYSA-N 2 1 278.371 2.029 20 0 CEADMP C[NH+]1CCC2(CC[N@H+]2C[C@H](O)c2ccccc2F)CC1 ZINC000899911457 633096288 /nfs/dbraw/zinc/09/62/88/633096288.db2.gz USFAJCFMTABNBB-HNNXBMFYSA-N 2 1 278.371 2.029 20 0 CEADMP CC[C@@H](C)C[C@H]([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000900017283 633180665 /nfs/dbraw/zinc/18/06/65/633180665.db2.gz BBKCSTGSBROCIW-PWSUYJOCSA-N 2 1 266.389 2.048 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000817043691 633577607 /nfs/dbraw/zinc/57/76/07/633577607.db2.gz ORCHDUHFGNQQIV-QGZVFWFLSA-N 2 1 295.471 2.053 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000817043691 633577612 /nfs/dbraw/zinc/57/76/12/633577612.db2.gz ORCHDUHFGNQQIV-QGZVFWFLSA-N 2 1 295.471 2.053 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000817043691 633577616 /nfs/dbraw/zinc/57/76/16/633577616.db2.gz ORCHDUHFGNQQIV-QGZVFWFLSA-N 2 1 295.471 2.053 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cn1 ZINC000817889109 633752949 /nfs/dbraw/zinc/75/29/49/633752949.db2.gz MMYJBXAJWFHGGD-UHFFFAOYSA-N 3 1 299.422 2.183 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000817892859 633755299 /nfs/dbraw/zinc/75/52/99/633755299.db2.gz QDDPOZWYRQYUDW-HRCADAONSA-N 2 1 262.397 2.149 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccsc1 ZINC000817896329 633757941 /nfs/dbraw/zinc/75/79/41/633757941.db2.gz GCUDVXNBJGHXNB-VBNZEHGJSA-N 2 1 290.432 2.330 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900897 633761285 /nfs/dbraw/zinc/76/12/85/633761285.db2.gz QOVGLUSQKKGFPH-VXLLPVPCSA-N 3 1 279.472 2.371 20 0 CEADMP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000817904654 633765214 /nfs/dbraw/zinc/76/52/14/633765214.db2.gz FSMQSBNLNHIGML-GUYJKWIASA-N 2 1 280.387 2.368 20 0 CEADMP CC[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000817916149 633774842 /nfs/dbraw/zinc/77/48/42/633774842.db2.gz AFBBWAWBECMTGE-PMPSAXMXSA-N 2 1 280.387 2.153 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2COC3(CCCC3)O2)c2ccccc21 ZINC000817918582 633776939 /nfs/dbraw/zinc/77/69/39/633776939.db2.gz LMMAOYVLVKCZBG-APHBMKBZSA-N 2 1 288.391 2.407 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@@H](O)c1ccccc1 ZINC000817927836 633782429 /nfs/dbraw/zinc/78/24/29/633782429.db2.gz QVQCGLTZGQXYNH-ORQFMDKSSA-N 2 1 276.424 2.475 20 0 CEADMP CCc1ccc([C@H](O)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000817928716 633783732 /nfs/dbraw/zinc/78/37/32/633783732.db2.gz FCIAAELZESDJIM-SJKOYZFVSA-N 2 1 285.391 2.441 20 0 CEADMP COCc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)ccc1OC ZINC000817959767 633801147 /nfs/dbraw/zinc/80/11/47/633801147.db2.gz IUGHMJXHFAYWDP-IAQYHMDHSA-N 2 1 278.396 2.230 20 0 CEADMP COCc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)ccc1OC ZINC000817964557 633807136 /nfs/dbraw/zinc/80/71/36/633807136.db2.gz CLOYCSIERNRBGI-IAQYHMDHSA-N 2 1 278.396 2.230 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)C1=CC[N@@H+](C)CC1 ZINC000819220069 634108295 /nfs/dbraw/zinc/10/82/95/634108295.db2.gz JZMWGTIJJINYHT-MLGOLLRUSA-N 2 1 278.371 2.099 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000819366287 634157058 /nfs/dbraw/zinc/15/70/58/634157058.db2.gz MSWWAOHSRYNHNR-BLLLJJGKSA-N 2 1 298.377 2.320 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1COc2ccccc2C1 ZINC000902958886 634913532 /nfs/dbraw/zinc/91/35/32/634913532.db2.gz WJGWWMFTFZJNTI-ZFWWWQNUSA-N 2 1 285.391 2.192 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)[C@H]1C ZINC000903076437 634958088 /nfs/dbraw/zinc/95/80/88/634958088.db2.gz PZJIJHGQXCMIQD-AESZEHBQSA-N 2 1 282.472 2.494 20 0 CEADMP CCc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[nH]n1 ZINC000903097874 634967574 /nfs/dbraw/zinc/96/75/74/634967574.db2.gz VWYMSSLZEXTDCL-SFESLNEESA-N 2 1 274.412 2.220 20 0 CEADMP CCc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[nH]n1 ZINC000903097874 634967577 /nfs/dbraw/zinc/96/75/77/634967577.db2.gz VWYMSSLZEXTDCL-SFESLNEESA-N 2 1 274.412 2.220 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903074214 634967671 /nfs/dbraw/zinc/96/76/71/634967671.db2.gz SRNXTKTUPBDBIF-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000903112379 634977428 /nfs/dbraw/zinc/97/74/28/634977428.db2.gz OMXXKMODBGXGRJ-ONQFOCNCSA-N 2 1 286.419 2.467 20 0 CEADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903112379 634977432 /nfs/dbraw/zinc/97/74/32/634977432.db2.gz OMXXKMODBGXGRJ-ONQFOCNCSA-N 2 1 286.419 2.467 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(-c2noc([C@H](C)[C@H](C)[NH3+])n2)cn1 ZINC000822784909 634995406 /nfs/dbraw/zinc/99/54/06/634995406.db2.gz IKRMUWXIJPVNJZ-ZJUUUORDSA-N 2 1 298.350 2.076 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)[C@@H](C)C1 ZINC000903181439 635001418 /nfs/dbraw/zinc/00/14/18/635001418.db2.gz PZFJLIFWHZCXCN-CYDGBPFRSA-N 2 1 294.361 2.416 20 0 CEADMP C[C@@H]1COCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903171031 635004988 /nfs/dbraw/zinc/00/49/88/635004988.db2.gz MCOODXFBOGENPS-AZGATIOISA-N 2 1 278.440 2.406 20 0 CEADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000903207726 635016317 /nfs/dbraw/zinc/01/63/17/635016317.db2.gz ZQXCTCDOOWZVSE-BZUAXINKSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903210209 635016647 /nfs/dbraw/zinc/01/66/47/635016647.db2.gz VDLDOQIZKASWJV-WYQXTGKHSA-N 2 1 266.429 2.285 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCc1ccc(F)cc1 ZINC000903433005 635114374 /nfs/dbraw/zinc/11/43/74/635114374.db2.gz QKFBZQUXARWZAH-OCCSQVGLSA-N 2 1 250.361 2.156 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000903434584 635116098 /nfs/dbraw/zinc/11/60/98/635116098.db2.gz IBUAJYPPROAFDT-UBDQQSCGSA-N 2 1 288.435 2.430 20 0 CEADMP CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439550 635118594 /nfs/dbraw/zinc/11/85/94/635118594.db2.gz KHFAZGHIMWDCRD-BPQIPLTHSA-N 2 1 290.451 2.361 20 0 CEADMP C[C@@H](c1ncccn1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000903463850 635126876 /nfs/dbraw/zinc/12/68/76/635126876.db2.gz POYVDTIMOWIYCI-DZGCQCFKSA-N 2 1 274.412 2.249 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000903445409 635130194 /nfs/dbraw/zinc/13/01/94/635130194.db2.gz ZSCLTSOITNLVPQ-XHSDSOJGSA-N 3 1 265.445 2.064 20 0 CEADMP CCSc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903450056 635134063 /nfs/dbraw/zinc/13/40/63/635134063.db2.gz LHKKFGQLGARQGI-OKILXGFUSA-N 2 1 262.422 2.450 20 0 CEADMP CCSc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903450056 635134065 /nfs/dbraw/zinc/13/40/65/635134065.db2.gz LHKKFGQLGARQGI-OKILXGFUSA-N 2 1 262.422 2.450 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](CC(F)(F)F)O1 ZINC000903464584 635134614 /nfs/dbraw/zinc/13/46/14/635134614.db2.gz SMRVQPOMDYATKH-WISYIIOYSA-N 2 1 280.334 2.156 20 0 CEADMP CCSc1ccccc1C[N@@H+](C)CCOCC[NH3+] ZINC000903474051 635143912 /nfs/dbraw/zinc/14/39/12/635143912.db2.gz GTKJHTJUQDWBSJ-UHFFFAOYSA-N 2 1 268.426 2.206 20 0 CEADMP COC(=O)C(C)(C)C[N@@H+](CC(C)C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903481819 635149585 /nfs/dbraw/zinc/14/95/85/635149585.db2.gz NRQLPBPWLAPXSY-KGLIPLIRSA-N 2 1 284.444 2.271 20 0 CEADMP Cn1nccc1[C@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903566611 635163940 /nfs/dbraw/zinc/16/39/40/635163940.db2.gz WMMBNYUNJGBLLF-GOSISDBHSA-N 2 1 296.418 2.403 20 0 CEADMP COc1ccc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)nc1 ZINC000903708325 635229546 /nfs/dbraw/zinc/22/95/46/635229546.db2.gz QWZVROAGZCTRDI-MRXNPFEDSA-N 2 1 275.396 2.227 20 0 CEADMP C[N@@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)CC(C)(C)C[NH3+] ZINC000903717569 635232233 /nfs/dbraw/zinc/23/22/33/635232233.db2.gz RXLYKMMRDPRGGY-WDEREUQCSA-N 2 1 282.350 2.403 20 0 CEADMP C[N@H+](Cc1cccs1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717897 635232492 /nfs/dbraw/zinc/23/24/92/635232492.db2.gz FNHXJYMBKCZNDV-ZDUSSCGKSA-N 2 1 280.437 2.339 20 0 CEADMP Cc1ccc(C[N@@H+](C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903717430 635232531 /nfs/dbraw/zinc/23/25/31/635232531.db2.gz AHKLAFWDCBZDLS-IRXDYDNUSA-N 2 1 274.408 2.195 20 0 CEADMP CC(C)[C@@H](C)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722510 635235802 /nfs/dbraw/zinc/23/58/02/635235802.db2.gz LXYVJVLWPQQZIG-ZIAGYGMSSA-N 2 1 254.418 2.121 20 0 CEADMP c1csc(C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)c1 ZINC000903723930 635237521 /nfs/dbraw/zinc/23/75/21/635237521.db2.gz JMWFTIBYOUNTOY-ZBFHGGJFSA-N 2 1 292.448 2.481 20 0 CEADMP CCCO[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903728970 635240680 /nfs/dbraw/zinc/24/06/80/635240680.db2.gz IMFZFMPJJFPHKL-IKGGRYGDSA-N 2 1 296.455 2.036 20 0 CEADMP Fc1c(CNC[C@H]2CC[N@H+](C3CC3)C2)ccnc1Cl ZINC000823649451 635242578 /nfs/dbraw/zinc/24/25/78/635242578.db2.gz MBDARCXNWYCQRK-SNVBAGLBSA-N 2 1 283.778 2.448 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903743485 635254751 /nfs/dbraw/zinc/25/47/51/635254751.db2.gz MEAUWXMJKBYSMH-QCNOEVLYSA-N 2 1 280.334 2.156 20 0 CEADMP C[C@H]1CCCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903759119 635256302 /nfs/dbraw/zinc/25/63/02/635256302.db2.gz OXZIYNFSYKLKDZ-GJZGRUSLSA-N 2 1 266.429 2.267 20 0 CEADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000903766431 635258188 /nfs/dbraw/zinc/25/81/88/635258188.db2.gz QIWFNIIVHMTHBU-ZACQAIPSSA-N 2 1 278.440 2.267 20 0 CEADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903764952 635258522 /nfs/dbraw/zinc/25/85/22/635258522.db2.gz CKNVMBIEKAHTNB-UYTSQGDYSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903770288 635261095 /nfs/dbraw/zinc/26/10/95/635261095.db2.gz WKLPWCJPPJIING-ZIAGYGMSSA-N 2 1 266.429 2.123 20 0 CEADMP Fc1cccc(N2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)c1 ZINC000903779380 635265598 /nfs/dbraw/zinc/26/55/98/635265598.db2.gz YDMGWYSWVNOZCI-HNNXBMFYSA-N 2 1 291.414 2.337 20 0 CEADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C[C@H]1CCCC[NH2+]C1 ZINC000903788412 635271415 /nfs/dbraw/zinc/27/14/15/635271415.db2.gz KJBJXRAIEJPRLG-JKSUJKDBSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)C[C@@H]1CN(C)CC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903788412 635271419 /nfs/dbraw/zinc/27/14/19/635271419.db2.gz KJBJXRAIEJPRLG-JKSUJKDBSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)C[C@@H]1CN(C)CC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903788412 635271424 /nfs/dbraw/zinc/27/14/24/635271424.db2.gz KJBJXRAIEJPRLG-JKSUJKDBSA-N 2 1 267.461 2.038 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC000903841384 635299417 /nfs/dbraw/zinc/29/94/17/635299417.db2.gz XCFQHAZUQLECQA-QEJZJMRPSA-N 2 1 255.365 2.480 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc3c1CCOC3)C2 ZINC000903841446 635299766 /nfs/dbraw/zinc/29/97/66/635299766.db2.gz DBISSFRNSCRTFL-RCBQFDQVSA-N 2 1 272.392 2.071 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@H]1CC1(Cl)Cl)C2 ZINC000903842730 635301267 /nfs/dbraw/zinc/30/12/67/635301267.db2.gz SSKDUHNYGQBILP-NAKRPEOUSA-N 2 1 263.212 2.382 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903854775 635306199 /nfs/dbraw/zinc/30/61/99/635306199.db2.gz KHUVRWHGIDGRFK-HOCLYGCPSA-N 2 1 259.397 2.066 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903854775 635306204 /nfs/dbraw/zinc/30/62/04/635306204.db2.gz KHUVRWHGIDGRFK-HOCLYGCPSA-N 2 1 259.397 2.066 20 0 CEADMP COc1ccc(CC[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903855898 635306725 /nfs/dbraw/zinc/30/67/25/635306725.db2.gz QAIBMQJNWMEKEQ-GDBMZVCRSA-N 2 1 260.381 2.051 20 0 CEADMP COc1ccc(CC[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903855898 635306730 /nfs/dbraw/zinc/30/67/30/635306730.db2.gz QAIBMQJNWMEKEQ-GDBMZVCRSA-N 2 1 260.381 2.051 20 0 CEADMP COc1ccccc1CCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858182 635308659 /nfs/dbraw/zinc/30/86/59/635308659.db2.gz HJJGCZGRSVQDPC-RDJZCZTQSA-N 2 1 274.408 2.441 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903858182 635308665 /nfs/dbraw/zinc/30/86/65/635308665.db2.gz HJJGCZGRSVQDPC-RDJZCZTQSA-N 2 1 274.408 2.441 20 0 CEADMP COc1ccc(OCCC[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903857804 635308956 /nfs/dbraw/zinc/30/89/56/635308956.db2.gz WBYNSLQCOWCUNM-YOEHRIQHSA-N 2 1 290.407 2.277 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903857804 635308960 /nfs/dbraw/zinc/30/89/60/635308960.db2.gz WBYNSLQCOWCUNM-YOEHRIQHSA-N 2 1 290.407 2.277 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2Cc1ccc2cc[nH]c2c1 ZINC000903857521 635309186 /nfs/dbraw/zinc/30/91/86/635309186.db2.gz FEQNAFKMMNWVBX-ZBFHGGJFSA-N 2 1 255.365 2.481 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2Cc1ccc2cc[nH]c2c1 ZINC000903857521 635309189 /nfs/dbraw/zinc/30/91/89/635309189.db2.gz FEQNAFKMMNWVBX-ZBFHGGJFSA-N 2 1 255.365 2.481 20 0 CEADMP COc1ccccc1CCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858183 635309231 /nfs/dbraw/zinc/30/92/31/635309231.db2.gz HJJGCZGRSVQDPC-WBVHZDCISA-N 2 1 274.408 2.441 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903858183 635309232 /nfs/dbraw/zinc/30/92/32/635309232.db2.gz HJJGCZGRSVQDPC-WBVHZDCISA-N 2 1 274.408 2.441 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2Cc1cccc2c1CCOC2 ZINC000903862004 635312995 /nfs/dbraw/zinc/31/29/95/635312995.db2.gz ZYDSDYNFXOZSLI-RDJZCZTQSA-N 2 1 272.392 2.073 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2Cc1cccc2c1CCOC2 ZINC000903862004 635313000 /nfs/dbraw/zinc/31/30/00/635313000.db2.gz ZYDSDYNFXOZSLI-RDJZCZTQSA-N 2 1 272.392 2.073 20 0 CEADMP c1ccc(CCOCCC[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000903863558 635314212 /nfs/dbraw/zinc/31/42/12/635314212.db2.gz BSVCUVMWYJKZMY-SFHVURJKSA-N 2 1 288.435 2.464 20 0 CEADMP c1ccc(CCOCCC[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000903863558 635314220 /nfs/dbraw/zinc/31/42/20/635314220.db2.gz BSVCUVMWYJKZMY-SFHVURJKSA-N 2 1 288.435 2.464 20 0 CEADMP C(CC[N@@H+]1CCC[C@@]12CC[NH2+]C2)CC1CCOCC1 ZINC000903870981 635320403 /nfs/dbraw/zinc/32/04/03/635320403.db2.gz QLNKERHOLHOFJX-INIZCTEOSA-N 2 1 266.429 2.411 20 0 CEADMP C(CC[N@H+]1CCC[C@@]12CC[NH2+]C2)CC1CCOCC1 ZINC000903870981 635320410 /nfs/dbraw/zinc/32/04/10/635320410.db2.gz QLNKERHOLHOFJX-INIZCTEOSA-N 2 1 266.429 2.411 20 0 CEADMP CC(C)[C@H](C)[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000903872807 635321211 /nfs/dbraw/zinc/32/12/11/635321211.db2.gz JACHVNZQXAFWPF-DZGCQCFKSA-N 2 1 291.443 2.212 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCCC[C@H]2C)cnn1C ZINC000903893663 635330538 /nfs/dbraw/zinc/33/05/38/635330538.db2.gz XZJJTGFTGZFWOK-UKRRQHHQSA-N 2 1 278.444 2.110 20 0 CEADMP CC[C@]1(C)CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903894766 635331080 /nfs/dbraw/zinc/33/10/80/635331080.db2.gz DLIKOBYPCKWKQN-GDBMZVCRSA-N 2 1 291.443 2.215 20 0 CEADMP FC(F)O[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903902896 635338765 /nfs/dbraw/zinc/33/87/65/635338765.db2.gz PFPZGNCCJGPXAI-PSEXLTFBSA-N 2 1 274.355 2.221 20 0 CEADMP CCOC(=O)[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000903906726 635342068 /nfs/dbraw/zinc/34/20/68/635342068.db2.gz YROINHWXVUOZSQ-WTUNAVPPSA-N 2 1 282.428 2.084 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c2c(c1)C[NH2+]CC2 ZINC000903909226 635343597 /nfs/dbraw/zinc/34/35/97/635343597.db2.gz CTNBAGPGBMDNGW-NVXWUHKLSA-N 2 1 286.419 2.191 20 0 CEADMP C[C@H](O)C[C@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903909975 635344446 /nfs/dbraw/zinc/34/44/46/635344446.db2.gz YTDZHKLXWBTLRP-NIOBXDJOSA-N 2 1 266.429 2.142 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](CC2CC2)C2CCC2)cnn1C ZINC000903909714 635344537 /nfs/dbraw/zinc/34/45/37/635344537.db2.gz XOPRUMXYFCYTGH-OAHLLOKOSA-N 2 1 290.455 2.110 20 0 CEADMP [NH3+]C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000903918462 635346946 /nfs/dbraw/zinc/34/69/46/635346946.db2.gz ZUUISHMPTKCPIS-YPAMNDHTSA-N 3 1 265.445 2.014 20 0 CEADMP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC(C)(C)C1 ZINC000903930245 635356915 /nfs/dbraw/zinc/35/69/15/635356915.db2.gz VSPQIATYLSUHAI-ZDUSSCGKSA-N 2 1 291.443 2.213 20 0 CEADMP c1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000903930366 635357119 /nfs/dbraw/zinc/35/71/19/635357119.db2.gz YIVRYBLZNRGFSJ-SFHVURJKSA-N 2 1 286.419 2.333 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000903932314 635358070 /nfs/dbraw/zinc/35/80/70/635358070.db2.gz AVLYHIARWQMORP-ASDXVTRWSA-N 3 1 291.483 2.229 20 0 CEADMP C[N@@H+](CCC(C)(C)C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903932619 635358507 /nfs/dbraw/zinc/35/85/07/635358507.db2.gz TZPHTWOPCJHCDF-ZDUSSCGKSA-N 2 1 279.432 2.071 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+](CCN)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000903953333 635386805 /nfs/dbraw/zinc/38/68/05/635386805.db2.gz DBMKVDTUJUBNTC-UKRRQHHQSA-N 2 1 295.858 2.489 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](CCN)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000903953333 635386808 /nfs/dbraw/zinc/38/68/08/635386808.db2.gz DBMKVDTUJUBNTC-UKRRQHHQSA-N 2 1 295.858 2.489 20 0 CEADMP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903954594 635387958 /nfs/dbraw/zinc/38/79/58/635387958.db2.gz GAIXQQSLXBWZKL-LBPRGKRZSA-N 2 1 270.323 2.030 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000903975271 635393584 /nfs/dbraw/zinc/39/35/84/635393584.db2.gz ZBQIZPFVEUNPNX-QLFBSQMISA-N 2 1 266.429 2.313 20 0 CEADMP C[C@]1(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)CC[NH2+]C1 ZINC000903978447 635394625 /nfs/dbraw/zinc/39/46/25/635394625.db2.gz FTQOAWXUDHZIET-IKGGRYGDSA-N 2 1 256.393 2.260 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(C3CC3)s2)C[C@H]1CC[NH3+] ZINC000903977272 635394702 /nfs/dbraw/zinc/39/47/02/635394702.db2.gz NJYDKLPEAMBZOO-ZYHUDNBSSA-N 2 1 265.426 2.437 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903963688 635398140 /nfs/dbraw/zinc/39/81/40/635398140.db2.gz FYDWYBFMVWQDHD-MUIFIZLQSA-N 2 1 273.424 2.019 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000903986253 635404546 /nfs/dbraw/zinc/40/45/46/635404546.db2.gz IHRPFEBHQPABFH-ORBLRFAASA-N 3 1 279.472 2.371 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1OC ZINC000904303856 635555521 /nfs/dbraw/zinc/55/55/21/635555521.db2.gz KBXDQTQKIRNPNQ-XBXGTLAGSA-N 2 1 278.396 2.181 20 0 CEADMP COCC[N@@H+](C[C@]1(C)CCC[NH2+]C1)C1CCCC1 ZINC000904310061 635558286 /nfs/dbraw/zinc/55/82/86/635558286.db2.gz VLVJYLAERJBSNF-OAHLLOKOSA-N 2 1 254.418 2.267 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904313399 635562407 /nfs/dbraw/zinc/56/24/07/635562407.db2.gz UAUPGWRSNZCZGN-QGZVFWFLSA-N 3 1 281.488 2.428 20 0 CEADMP CC(C)[N@H+](C)CC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904313399 635562413 /nfs/dbraw/zinc/56/24/13/635562413.db2.gz UAUPGWRSNZCZGN-QGZVFWFLSA-N 2 1 281.488 2.428 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904313399 635562418 /nfs/dbraw/zinc/56/24/18/635562418.db2.gz UAUPGWRSNZCZGN-QGZVFWFLSA-N 2 1 281.488 2.428 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904323985 635570834 /nfs/dbraw/zinc/57/08/34/635570834.db2.gz BBKYAZICGPWUMR-JKSUJKDBSA-N 2 1 267.461 2.040 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904326608 635571718 /nfs/dbraw/zinc/57/17/18/635571718.db2.gz NTZTXWAJDVFNCJ-HOCLYGCPSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904326608 635571721 /nfs/dbraw/zinc/57/17/21/635571721.db2.gz NTZTXWAJDVFNCJ-HOCLYGCPSA-N 2 1 276.428 2.119 20 0 CEADMP CCS[C@H](C)c1noc(C[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000904328149 635573103 /nfs/dbraw/zinc/57/31/03/635573103.db2.gz LZJKGVSBQVUIDF-MXWKQRLJSA-N 2 1 284.429 2.053 20 0 CEADMP CCS[C@H](C)c1noc(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000904328149 635573098 /nfs/dbraw/zinc/57/30/98/635573098.db2.gz LZJKGVSBQVUIDF-MXWKQRLJSA-N 2 1 284.429 2.053 20 0 CEADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904329405 635575199 /nfs/dbraw/zinc/57/51/99/635575199.db2.gz YQCDDISJKLRRGY-DOTOQJQBSA-N 2 1 296.455 2.431 20 0 CEADMP C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904331179 635575780 /nfs/dbraw/zinc/57/57/80/635575780.db2.gz DQLYEFKFSZZFPE-UKKRHICBSA-N 2 1 250.308 2.387 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@@H](c3ccccn3)C2)CCC[NH2+]C1 ZINC000904336175 635577206 /nfs/dbraw/zinc/57/72/06/635577206.db2.gz DUKZMEZUBUTRBF-ZBFHGGJFSA-N 2 1 259.397 2.261 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@H]2C2CCOCC2)CCC[NH2+]C1 ZINC000904345848 635581490 /nfs/dbraw/zinc/58/14/90/635581490.db2.gz KCAPSODZNNGRPE-CVEARBPZSA-N 2 1 266.429 2.267 20 0 CEADMP CCn1ccnc1[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343820 635582130 /nfs/dbraw/zinc/58/21/30/635582130.db2.gz XOQZJFSDTYLPQN-MJBXVCDLSA-N 2 1 262.401 2.167 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000904350245 635584099 /nfs/dbraw/zinc/58/40/99/635584099.db2.gz JHVYAUKUQDCBKT-QZTJIDSGSA-N 3 1 287.451 2.357 20 0 CEADMP C[C@H]([NH2+]C1CC(C[NH3+])C1)c1noc(-c2ccccc2)n1 ZINC000904359838 635589018 /nfs/dbraw/zinc/58/90/18/635589018.db2.gz FCEPAQDUVNAZHZ-ZBOXLXRLSA-N 2 1 272.352 2.125 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@]1(C)CCC[NH2+]C1)CCOCC2 ZINC000904374537 635595196 /nfs/dbraw/zinc/59/51/96/635595196.db2.gz SYNXSWBTCYWHAZ-HUUCEWRRSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1ccc(C[N@@H+](CC2CC2)C[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000904374509 635595470 /nfs/dbraw/zinc/59/54/70/635595470.db2.gz SIOOYYXEVJBZPA-IYBDPMFKSA-N 2 1 259.397 2.339 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1C ZINC000904376912 635601639 /nfs/dbraw/zinc/60/16/39/635601639.db2.gz YSOVNRDDKCPWKP-TZMCWYRMSA-N 2 1 276.380 2.093 20 0 CEADMP COC(=O)[C@@H]1C[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]1C1CC1 ZINC000904376273 635602062 /nfs/dbraw/zinc/60/20/62/635602062.db2.gz NVFARZLOGZVHDG-SOUVJXGZSA-N 2 1 296.455 2.271 20 0 CEADMP COC(=O)[C@@H]1C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]1C1CC1 ZINC000904376273 635602065 /nfs/dbraw/zinc/60/20/65/635602065.db2.gz NVFARZLOGZVHDG-SOUVJXGZSA-N 2 1 296.455 2.271 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(C(F)F)c(F)c2)CCOCC1 ZINC000904380372 635604892 /nfs/dbraw/zinc/60/48/92/635604892.db2.gz LNZUFXFVTRMFKH-UHFFFAOYSA-N 2 1 288.313 2.361 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](OC3CCC3)CC2)C1 ZINC000904384222 635607285 /nfs/dbraw/zinc/60/72/85/635607285.db2.gz HCVHUGMFLKRMGF-VNHYZAJKSA-N 2 1 252.402 2.147 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406490 635613682 /nfs/dbraw/zinc/61/36/82/635613682.db2.gz WZEZLXZVSUAEPW-OAHLLOKOSA-N 2 1 284.407 2.351 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000904406176 635613775 /nfs/dbraw/zinc/61/37/75/635613775.db2.gz STIYQDJTQJQQBR-LBPRGKRZSA-N 2 1 276.409 2.105 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CC[C@@H](CC[NH3+])C1)O[C@H](C)C2 ZINC000904409898 635615472 /nfs/dbraw/zinc/61/54/72/635615472.db2.gz KOLLPYUTBHUWDT-CHWSQXEVSA-N 2 1 290.407 2.189 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1C ZINC000904410525 635617279 /nfs/dbraw/zinc/61/72/79/635617279.db2.gz HEJZRPBRPZYDKT-SWLSCSKDSA-N 2 1 278.444 2.327 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3c2NCC3)CC[C@H]1C[NH3+] ZINC000904411974 635619542 /nfs/dbraw/zinc/61/95/42/635619542.db2.gz QUSVIDIVQFZCAJ-JSGCOSHPSA-N 2 1 259.397 2.071 20 0 CEADMP C[C@@H](C[C@H]1CCOC1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000825332520 635619569 /nfs/dbraw/zinc/61/95/69/635619569.db2.gz ZKUABHPCVNCFRO-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](C[C@H]1CCOC1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000825332520 635619571 /nfs/dbraw/zinc/61/95/71/635619571.db2.gz ZKUABHPCVNCFRO-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP c1nc(C2CCC2)sc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420412 635631605 /nfs/dbraw/zinc/63/16/05/635631605.db2.gz NWPSIHIRNDDTIX-QWHCGFSZSA-N 2 1 277.437 2.452 20 0 CEADMP c1nc(C2CCC2)sc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420412 635631610 /nfs/dbraw/zinc/63/16/10/635631610.db2.gz NWPSIHIRNDDTIX-QWHCGFSZSA-N 2 1 277.437 2.452 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000825404286 635632305 /nfs/dbraw/zinc/63/23/05/635632305.db2.gz KYPHLPLSBURJLJ-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC000905043866 635784826 /nfs/dbraw/zinc/78/48/26/635784826.db2.gz ZWDAMOAKGSHLPE-ZIAGYGMSSA-N 2 1 298.500 2.116 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@](C)(O)C(F)F ZINC000905045342 635786376 /nfs/dbraw/zinc/78/63/76/635786376.db2.gz IJPLCCVAWDAMAX-GXTWGEPZSA-N 2 1 278.387 2.247 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@](C)(O)C(F)F ZINC000905045343 635786714 /nfs/dbraw/zinc/78/67/14/635786714.db2.gz IJPLCCVAWDAMAX-JSGCOSHPSA-N 2 1 278.387 2.247 20 0 CEADMP CC[C@](O)(C[NH2+]CCCCn1cc[nH+]c1C)C(F)(F)F ZINC000905131139 635837162 /nfs/dbraw/zinc/83/71/62/635837162.db2.gz CLYPTPXBKIPHQE-LBPRGKRZSA-N 2 1 293.333 2.265 20 0 CEADMP CCC[NH+](CCC)CCCc1nc(C2([NH3+])CC2)no1 ZINC000905321827 636219042 /nfs/dbraw/zinc/21/90/42/636219042.db2.gz NDYVPFFWCYXUIL-UHFFFAOYSA-N 2 1 266.389 2.072 20 0 CEADMP [NH3+]C[C@H]1CCCc2ccc(-c3nc(C4([NH3+])CC4)no3)cc21 ZINC000905327752 636225344 /nfs/dbraw/zinc/22/53/44/636225344.db2.gz SWEWJZQMFAVWNM-GFCCVEGCSA-N 2 1 284.363 2.063 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CCC1(c2ccccc2)CC1)C1CC1 ZINC000905519196 636317963 /nfs/dbraw/zinc/31/79/63/636317963.db2.gz IDYRPSIMKUUSBJ-QGZVFWFLSA-N 2 1 288.435 2.153 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CCC1(c2ccccc2)CC1)C1CC1 ZINC000905519196 636317966 /nfs/dbraw/zinc/31/79/66/636317966.db2.gz IDYRPSIMKUUSBJ-QGZVFWFLSA-N 2 1 288.435 2.153 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCC=CCCC1)C1CC1 ZINC000905678931 636390599 /nfs/dbraw/zinc/39/05/99/636390599.db2.gz NCMXUJRNXYNIDN-HOCLYGCPSA-N 2 1 266.429 2.168 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCC=CCCC1)C1CC1 ZINC000905678931 636390603 /nfs/dbraw/zinc/39/06/03/636390603.db2.gz NCMXUJRNXYNIDN-HOCLYGCPSA-N 2 1 266.429 2.168 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000906509197 636760412 /nfs/dbraw/zinc/76/04/12/636760412.db2.gz ABFJTINDMNOXID-UHFFFAOYSA-N 2 1 283.375 2.240 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000906509579 636760649 /nfs/dbraw/zinc/76/06/49/636760649.db2.gz KEPRVMSIXHIHBN-UHFFFAOYSA-N 2 1 290.798 2.164 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[N@@H+](C(C)C)CC2)C1 ZINC000906546352 636781692 /nfs/dbraw/zinc/78/16/92/636781692.db2.gz PSEABNLIENAAJR-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[N@H+](C(C)C)CC2)C1 ZINC000906546352 636781697 /nfs/dbraw/zinc/78/16/97/636781697.db2.gz PSEABNLIENAAJR-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](CC)C[NH+]2CCCC2)C1 ZINC000906714749 636828113 /nfs/dbraw/zinc/82/81/13/636828113.db2.gz LQEDYOIZXVNEFJ-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC)CCC[N@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829374609 636837174 /nfs/dbraw/zinc/83/71/74/636837174.db2.gz DYRMOASLAGHTRQ-GOSISDBHSA-N 2 1 290.451 2.484 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829374609 636837178 /nfs/dbraw/zinc/83/71/78/636837178.db2.gz DYRMOASLAGHTRQ-GOSISDBHSA-N 2 1 290.451 2.484 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000908303306 637296478 /nfs/dbraw/zinc/29/64/78/637296478.db2.gz NOWJVAWYVPGRCM-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000908303306 637296492 /nfs/dbraw/zinc/29/64/92/637296492.db2.gz NOWJVAWYVPGRCM-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000908303306 637296497 /nfs/dbraw/zinc/29/64/97/637296497.db2.gz NOWJVAWYVPGRCM-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1CCC[N@H+]1CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000831970342 637473193 /nfs/dbraw/zinc/47/31/93/637473193.db2.gz DNTPFSSUCPUZFJ-ZBFHGGJFSA-N 2 1 289.423 2.067 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000832497707 637600678 /nfs/dbraw/zinc/60/06/78/637600678.db2.gz JOORPGYSJVYEOU-HUUCEWRRSA-N 2 1 283.460 2.003 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000832750099 637658963 /nfs/dbraw/zinc/65/89/63/637658963.db2.gz JJFOCLUIIKNHQL-CABCVRRESA-N 2 1 283.460 2.084 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+]([C@@H](C)CC)CC2)C1 ZINC000909263052 637664860 /nfs/dbraw/zinc/66/48/60/637664860.db2.gz YGFHLDRCCCYAGL-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP Fc1cccc2cc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cnc12 ZINC000876818123 650444825 /nfs/dbraw/zinc/44/48/25/650444825.db2.gz PYQFFHHOYXXBDV-KBPBESRZSA-N 2 1 271.339 2.025 20 0 CEADMP C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)CCc1cnc[nH]1 ZINC000912648524 638753248 /nfs/dbraw/zinc/75/32/48/638753248.db2.gz BRNILJNGGSDVEI-ZFWWWQNUSA-N 2 1 292.427 2.064 20 0 CEADMP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)CCc1cnc[nH]1 ZINC000912648523 638753410 /nfs/dbraw/zinc/75/34/10/638753410.db2.gz BRNILJNGGSDVEI-UKRRQHHQSA-N 2 1 292.427 2.064 20 0 CEADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000876899225 650477925 /nfs/dbraw/zinc/47/79/25/650477925.db2.gz UMDPRAXCXSYEID-XIKOKIGWSA-N 2 1 276.361 2.393 20 0 CEADMP CC(=O)C1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000224874441 639466078 /nfs/dbraw/zinc/46/60/78/639466078.db2.gz PTJVBSWMYXJKKL-OAHLLOKOSA-N 2 1 252.402 2.162 20 0 CEADMP CC(=O)C1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000224874441 639466085 /nfs/dbraw/zinc/46/60/85/639466085.db2.gz PTJVBSWMYXJKKL-OAHLLOKOSA-N 2 1 252.402 2.162 20 0 CEADMP CC(=O)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000224874441 639466092 /nfs/dbraw/zinc/46/60/92/639466092.db2.gz PTJVBSWMYXJKKL-OAHLLOKOSA-N 2 1 252.402 2.162 20 0 CEADMP CC(=O)C1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000224874441 639466096 /nfs/dbraw/zinc/46/60/96/639466096.db2.gz PTJVBSWMYXJKKL-OAHLLOKOSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2c(F)cccc2F)CC[N@@H+]1C ZINC000226874412 639567312 /nfs/dbraw/zinc/56/73/12/639567312.db2.gz BGCSLASOIKKDKM-UHIISALHSA-N 2 1 284.350 2.071 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2c(F)cccc2F)CC[N@H+]1C ZINC000226874412 639567315 /nfs/dbraw/zinc/56/73/15/639567315.db2.gz BGCSLASOIKKDKM-UHIISALHSA-N 2 1 284.350 2.071 20 0 CEADMP C[C@@]1(C[NH2+]Cc2ccc(Cl)nc2)CCC[NH2+]C1 ZINC000841056051 639634527 /nfs/dbraw/zinc/63/45/27/639634527.db2.gz BCVKSDSJDOPXMR-CYBMUJFWSA-N 2 1 253.777 2.214 20 0 CEADMP CC(C)c1ncc(C[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000841057739 639635455 /nfs/dbraw/zinc/63/54/55/639635455.db2.gz MUEXWTNMGSKHAH-NSHDSACASA-N 2 1 253.415 2.498 20 0 CEADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000841063843 639639999 /nfs/dbraw/zinc/63/99/99/639639999.db2.gz QRFAUHVRFFHTLP-TUVASFSCSA-N 2 1 254.418 2.168 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccnc3Cl)C[C@@H]21 ZINC000230047758 639730132 /nfs/dbraw/zinc/73/01/32/639730132.db2.gz WBEPJXNNIMOOPA-KGYLQXTDSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccnc3Cl)C[C@@H]21 ZINC000230047758 639730133 /nfs/dbraw/zinc/73/01/33/639730133.db2.gz WBEPJXNNIMOOPA-KGYLQXTDSA-N 2 1 265.788 2.294 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@](C)(O)c1ccccc1 ZINC000063121331 639829472 /nfs/dbraw/zinc/82/94/72/639829472.db2.gz XMBJENILZIGLDV-QGZVFWFLSA-N 2 1 276.424 2.168 20 0 CEADMP C[N@H+](Cc1ncc(Cl)s1)C1CCC([NH3+])CC1 ZINC000231434040 639854625 /nfs/dbraw/zinc/85/46/25/639854625.db2.gz ZEMOILTZNMYKAC-UHFFFAOYSA-N 2 1 259.806 2.498 20 0 CEADMP C[N@@H+](Cc1ncc(Cl)s1)C1CCC([NH3+])CC1 ZINC000231434040 639854630 /nfs/dbraw/zinc/85/46/30/639854630.db2.gz ZEMOILTZNMYKAC-UHFFFAOYSA-N 2 1 259.806 2.498 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000842475261 639977949 /nfs/dbraw/zinc/97/79/49/639977949.db2.gz OFBGIKMLLHHONY-QGZVFWFLSA-N 2 1 274.408 2.449 20 0 CEADMP Cc1ccc(OCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000842475261 639977951 /nfs/dbraw/zinc/97/79/51/639977951.db2.gz OFBGIKMLLHHONY-QGZVFWFLSA-N 2 1 274.408 2.449 20 0 CEADMP CC[C@H](CO)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000929647290 640007939 /nfs/dbraw/zinc/00/79/39/640007939.db2.gz PYVQIHDTLIDNAV-HRCADAONSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H](CO)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000929647290 640007942 /nfs/dbraw/zinc/00/79/42/640007942.db2.gz PYVQIHDTLIDNAV-HRCADAONSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H](CO)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000929647290 640007948 /nfs/dbraw/zinc/00/79/48/640007948.db2.gz PYVQIHDTLIDNAV-HRCADAONSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015108762 640014195 /nfs/dbraw/zinc/01/41/95/640014195.db2.gz CYOOYQMLIGCDQS-OAHLLOKOSA-N 2 1 298.390 2.105 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000842471825 640071559 /nfs/dbraw/zinc/07/15/59/640071559.db2.gz BSYZUPNTRZWJKL-NWDGAFQWSA-N 2 1 282.350 2.283 20 0 CEADMP C[N@@H+](CCCCCCC[NH3+])Cc1cccc(C(N)=O)c1 ZINC000842471925 640071643 /nfs/dbraw/zinc/07/16/43/640071643.db2.gz HMYWAEFAJBIPNM-UHFFFAOYSA-N 2 1 277.412 2.127 20 0 CEADMP OCCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000842474166 640073742 /nfs/dbraw/zinc/07/37/42/640073742.db2.gz HLRUZGIOCMBZDJ-HUUCEWRRSA-N 2 1 254.418 2.003 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C/C=C(/C)COC)C1 ZINC000929780567 640188450 /nfs/dbraw/zinc/18/84/50/640188450.db2.gz OXQYVTXRJMKBLY-XXUROBRHSA-N 2 1 254.418 2.243 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C(/C)COC)C1 ZINC000929780567 640188451 /nfs/dbraw/zinc/18/84/51/640188451.db2.gz OXQYVTXRJMKBLY-XXUROBRHSA-N 2 1 254.418 2.243 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C(/C)COC)C1 ZINC000929780567 640188452 /nfs/dbraw/zinc/18/84/52/640188452.db2.gz OXQYVTXRJMKBLY-XXUROBRHSA-N 2 1 254.418 2.243 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C(/C)COC)C1 ZINC000929780567 640188455 /nfs/dbraw/zinc/18/84/55/640188455.db2.gz OXQYVTXRJMKBLY-XXUROBRHSA-N 2 1 254.418 2.243 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C(/C)COC)C1 ZINC000929780567 640188457 /nfs/dbraw/zinc/18/84/57/640188457.db2.gz OXQYVTXRJMKBLY-XXUROBRHSA-N 2 1 254.418 2.243 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)[nH]1 ZINC000877074002 650560108 /nfs/dbraw/zinc/56/01/08/650560108.db2.gz XKDOVVGHQXGBEG-OCCSQVGLSA-N 2 1 293.411 2.154 20 0 CEADMP CCCCCCNC(=O)[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000843060394 640263755 /nfs/dbraw/zinc/26/37/55/640263755.db2.gz HCTOADUYKJRFFC-AWEZNQCLSA-N 2 1 283.460 2.132 20 0 CEADMP CCCCCCNC(=O)[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000843060394 640263757 /nfs/dbraw/zinc/26/37/57/640263757.db2.gz HCTOADUYKJRFFC-AWEZNQCLSA-N 2 1 283.460 2.132 20 0 CEADMP Cc1ccc(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000843116622 640287098 /nfs/dbraw/zinc/28/70/98/640287098.db2.gz RTIKHEINZMWWEV-QGZVFWFLSA-N 2 1 273.424 2.117 20 0 CEADMP C[C@H](O)c1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000843125588 640292132 /nfs/dbraw/zinc/29/21/32/640292132.db2.gz XVSXZYPLBPJSTG-YNEHKIRRSA-N 2 1 295.452 2.018 20 0 CEADMP [NH3+]C1(c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)CC1 ZINC000843172259 640323439 /nfs/dbraw/zinc/32/34/39/640323439.db2.gz BXIUKUMBINHIIE-UHFFFAOYSA-N 2 1 284.363 2.280 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000843355390 640401287 /nfs/dbraw/zinc/40/12/87/640401287.db2.gz ZOJRRSDISFJBCK-IYXRBSQSSA-N 2 1 292.427 2.125 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccc(F)cc1)C1CCC([NH3+])CC1 ZINC000843355862 640401627 /nfs/dbraw/zinc/40/16/27/640401627.db2.gz YHRZNQBTZRZIKS-UHFFFAOYSA-N 2 1 293.386 2.356 20 0 CEADMP CCCCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000843358850 640402932 /nfs/dbraw/zinc/40/29/32/640402932.db2.gz VKYCSQOTXGLGOI-JKSUJKDBSA-N 2 1 295.471 2.004 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364024 640405193 /nfs/dbraw/zinc/40/51/93/640405193.db2.gz LGIDVDUOPWVREO-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843363302 640405252 /nfs/dbraw/zinc/40/52/52/640405252.db2.gz VSFPTFCNBUPJAF-JKSUJKDBSA-N 3 1 267.461 2.360 20 0 CEADMP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843385996 640412825 /nfs/dbraw/zinc/41/28/25/640412825.db2.gz AULZKJZCVIEDEK-KKUMJFAQSA-N 2 1 282.428 2.040 20 0 CEADMP CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843386094 640413496 /nfs/dbraw/zinc/41/34/96/640413496.db2.gz BXUNYCQDJYMSGQ-JYJNAYRXSA-N 2 1 296.455 2.430 20 0 CEADMP CCCN(Cc1ncc(C[NH+](C)C)s1)[C@@H]1CC[N@H+](C)C1 ZINC000843422634 640422386 /nfs/dbraw/zinc/42/23/86/640422386.db2.gz PLNYGYQRNHOGPN-CYBMUJFWSA-N 2 1 296.484 2.121 20 0 CEADMP CCCN(Cc1ncc(C[NH+](C)C)s1)[C@@H]1CC[N@@H+](C)C1 ZINC000843422634 640422391 /nfs/dbraw/zinc/42/23/91/640422391.db2.gz PLNYGYQRNHOGPN-CYBMUJFWSA-N 2 1 296.484 2.121 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000843797596 640528209 /nfs/dbraw/zinc/52/82/09/640528209.db2.gz HODFYFGAVSVXKB-UONOGXRCSA-N 2 1 294.443 2.099 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000844163281 640621095 /nfs/dbraw/zinc/62/10/95/640621095.db2.gz ZLQGHFRWESAGNU-GJZGRUSLSA-N 2 1 283.460 2.227 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@]3(F)CC[NH2+]C3)c2C1 ZINC000844179862 640625645 /nfs/dbraw/zinc/62/56/45/640625645.db2.gz NDVNJNSYWRXOLN-INIZCTEOSA-N 2 1 291.370 2.052 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@]3(F)CC[NH2+]C3)c2C1 ZINC000844179862 640625646 /nfs/dbraw/zinc/62/56/46/640625646.db2.gz NDVNJNSYWRXOLN-INIZCTEOSA-N 2 1 291.370 2.052 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCCCCCCO)CC[C@H]21 ZINC000766120722 640629358 /nfs/dbraw/zinc/62/93/58/640629358.db2.gz AGEANWBADSTVBN-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCCCCCCO)CC[C@H]21 ZINC000766120722 640629364 /nfs/dbraw/zinc/62/93/64/640629364.db2.gz AGEANWBADSTVBN-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCCCCO)CC[C@H]21 ZINC000766120722 640629368 /nfs/dbraw/zinc/62/93/68/640629368.db2.gz AGEANWBADSTVBN-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP Cc1ccc(N2CCC[N@@H+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000844222201 640636125 /nfs/dbraw/zinc/63/61/25/640636125.db2.gz ZSSYQFHPKBIIHU-INIZCTEOSA-N 2 1 273.424 2.117 20 0 CEADMP CC1CCC([N@H+](C[C@@H](O)C[NH+]2CCCC2)C2CC2)CC1 ZINC000917064757 640845575 /nfs/dbraw/zinc/84/55/75/640845575.db2.gz JQLYOOBDRKHNQY-DQPZFDDXSA-N 2 1 280.456 2.486 20 0 CEADMP CC1CCC([N@@H+](C[C@@H](O)C[NH+]2CCCC2)C2CC2)CC1 ZINC000917064757 640845578 /nfs/dbraw/zinc/84/55/78/640845578.db2.gz JQLYOOBDRKHNQY-DQPZFDDXSA-N 2 1 280.456 2.486 20 0 CEADMP COc1ccc(CCC[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000925479366 641137279 /nfs/dbraw/zinc/13/72/79/641137279.db2.gz GOSVBLACPJROAZ-ZFWWWQNUSA-N 2 1 292.423 2.367 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(F)nc1 ZINC000845995581 641146340 /nfs/dbraw/zinc/14/63/40/641146340.db2.gz FBJOHZVVXHGAAY-UHFFFAOYSA-N 2 1 253.365 2.288 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(F)nc1 ZINC000845995581 641146347 /nfs/dbraw/zinc/14/63/47/641146347.db2.gz FBJOHZVVXHGAAY-UHFFFAOYSA-N 2 1 253.365 2.288 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000846219410 641226792 /nfs/dbraw/zinc/22/67/92/641226792.db2.gz AWLCAKWJEYFQDW-HNNXBMFYSA-N 2 1 264.417 2.385 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCCC1CC[NH2+]CC1 ZINC000846701109 641402116 /nfs/dbraw/zinc/40/21/16/641402116.db2.gz RCHIMXVIVBYXRX-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP CCCCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000252701572 641582316 /nfs/dbraw/zinc/58/23/16/641582316.db2.gz DPJVOCUDUGLJFA-HZPDHXFCSA-N 2 1 295.471 2.147 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(C)C)CC1 ZINC000996643647 642124042 /nfs/dbraw/zinc/12/40/42/642124042.db2.gz DNPZNQCGBYABTM-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCCCC1 ZINC000848980396 642202489 /nfs/dbraw/zinc/20/24/89/642202489.db2.gz JHIXHYQZLBDLFD-AWEZNQCLSA-N 2 1 266.433 2.165 20 0 CEADMP CC[C@H](C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000771837027 642227572 /nfs/dbraw/zinc/22/75/72/642227572.db2.gz QKNCIOSFQUJXHT-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP c1nn(C2CCC2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000921547138 642228546 /nfs/dbraw/zinc/22/85/46/642228546.db2.gz IJKDGCAPLDMFQL-GOEBONIOSA-N 2 1 274.412 2.325 20 0 CEADMP c1nn(C2CCC2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000921547138 642228552 /nfs/dbraw/zinc/22/85/52/642228552.db2.gz IJKDGCAPLDMFQL-GOEBONIOSA-N 2 1 274.412 2.325 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921546936 642228563 /nfs/dbraw/zinc/22/85/63/642228563.db2.gz JLQAAFPCUVISOW-CYBMUJFWSA-N 2 1 262.401 2.040 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921546936 642228565 /nfs/dbraw/zinc/22/85/65/642228565.db2.gz JLQAAFPCUVISOW-CYBMUJFWSA-N 2 1 262.401 2.040 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC(C)C)CC1 ZINC000997366839 642242931 /nfs/dbraw/zinc/24/29/31/642242931.db2.gz NLSXAWXKCQKDJL-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](CCCNC(=[NH2+])N[C@@H](C)COC)C1CCCCC1 ZINC000849047039 642255883 /nfs/dbraw/zinc/25/58/83/642255883.db2.gz NMOOEDMQYFFTIR-AWEZNQCLSA-N 2 1 298.475 2.180 20 0 CEADMP CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998200025 642373273 /nfs/dbraw/zinc/37/32/73/642373273.db2.gz SLQDSZYGKBFZBC-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998200025 642373276 /nfs/dbraw/zinc/37/32/76/642373276.db2.gz SLQDSZYGKBFZBC-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998200025 642373278 /nfs/dbraw/zinc/37/32/78/642373278.db2.gz SLQDSZYGKBFZBC-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999036281 642454404 /nfs/dbraw/zinc/45/44/04/642454404.db2.gz RRCABFDGLRRJKI-UYSNPLJNSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2nccc3c2CCCC3)C1 ZINC000921716719 642558808 /nfs/dbraw/zinc/55/88/08/642558808.db2.gz JVICDABAHVLACH-CQSZACIVSA-N 2 1 273.424 2.392 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2nccc3c2CCCC3)C1 ZINC000921716719 642558815 /nfs/dbraw/zinc/55/88/15/642558815.db2.gz JVICDABAHVLACH-CQSZACIVSA-N 2 1 273.424 2.392 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC)C1 ZINC001000665488 642638305 /nfs/dbraw/zinc/63/83/05/642638305.db2.gz SWPHNPHJTAMPJE-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCn3nccc32)C1 ZINC000850439799 642714001 /nfs/dbraw/zinc/71/40/01/642714001.db2.gz OPPPSUSMCHFAPJ-MJBXVCDLSA-N 2 1 262.401 2.180 20 0 CEADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1)C2 ZINC000922386082 643057211 /nfs/dbraw/zinc/05/72/11/643057211.db2.gz FMHRSYGYXUEGPB-TVFCKZIOSA-N 2 1 288.435 2.256 20 0 CEADMP CC[C@H](C)C[NH2+][C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922393477 643059793 /nfs/dbraw/zinc/05/97/93/643059793.db2.gz KVGHUWNALZBUTC-JZAWBGDQSA-N 2 1 282.472 2.492 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2COC(C)(C)O2)C[C@H]1C ZINC000851797889 643168848 /nfs/dbraw/zinc/16/88/48/643168848.db2.gz XCKQSCJXZZJTNT-QLFBSQMISA-N 2 1 284.444 2.333 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2COC(C)(C)O2)C[C@H]1C ZINC000851797889 643168851 /nfs/dbraw/zinc/16/88/51/643168851.db2.gz XCKQSCJXZZJTNT-QLFBSQMISA-N 2 1 284.444 2.333 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2COC(C)(C)O2)C[C@H]1C ZINC000851797889 643168854 /nfs/dbraw/zinc/16/88/54/643168854.db2.gz XCKQSCJXZZJTNT-QLFBSQMISA-N 2 1 284.444 2.333 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2COC(C)(C)O2)[C@@H](C)C1 ZINC000851846554 643189515 /nfs/dbraw/zinc/18/95/15/643189515.db2.gz AZHGKFKDSPTDGA-KKUMJFAQSA-N 2 1 284.444 2.190 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2COC(C)(C)O2)[C@@H](C)C1 ZINC000851846554 643189518 /nfs/dbraw/zinc/18/95/18/643189518.db2.gz AZHGKFKDSPTDGA-KKUMJFAQSA-N 2 1 284.444 2.190 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2COC(C)(C)O2)[C@@H](C)C1 ZINC000851846554 643189521 /nfs/dbraw/zinc/18/95/21/643189521.db2.gz AZHGKFKDSPTDGA-KKUMJFAQSA-N 2 1 284.444 2.190 20 0 CEADMP C[NH+]1CCC([NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000922680876 643195833 /nfs/dbraw/zinc/19/58/33/643195833.db2.gz ZELFLXMEWCGKCS-VXGBXAGGSA-N 2 1 280.334 2.170 20 0 CEADMP CO[C@@H]1CC[C@H]([N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000851860345 643197300 /nfs/dbraw/zinc/19/73/00/643197300.db2.gz KHRSXYVYYFGZKL-UONOGXRCSA-N 2 1 251.374 2.081 20 0 CEADMP CO[C@@H]1CC[C@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000851860345 643197303 /nfs/dbraw/zinc/19/73/03/643197303.db2.gz KHRSXYVYYFGZKL-UONOGXRCSA-N 2 1 251.374 2.081 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2OCC3)CC1(C)C ZINC000922697252 643210199 /nfs/dbraw/zinc/21/01/99/643210199.db2.gz SALIXOISJDWSCT-IIAWOOMASA-N 2 1 266.429 2.408 20 0 CEADMP CCO[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1)C[NH+](C)C ZINC000922754709 643244886 /nfs/dbraw/zinc/24/48/86/643244886.db2.gz SIRZDCXTBAHAGE-CJNGLKHVSA-N 2 1 282.403 2.313 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCO[C@@H]3CC3(F)F)C2)CC1 ZINC000852006817 643262487 /nfs/dbraw/zinc/26/24/87/643262487.db2.gz DVSZPXRYOKNZDD-CYBMUJFWSA-N 2 1 288.382 2.218 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1(O)CCCCC1)C2 ZINC000852108970 643312127 /nfs/dbraw/zinc/31/21/27/643312127.db2.gz RJJXXADFLSXPKM-HNNXBMFYSA-N 2 1 266.429 2.099 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1(O)CCCCC1)C2 ZINC000852108970 643312131 /nfs/dbraw/zinc/31/21/31/643312131.db2.gz RJJXXADFLSXPKM-HNNXBMFYSA-N 2 1 266.429 2.099 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1(O)CCCCC1)C2 ZINC000852108970 643312134 /nfs/dbraw/zinc/31/21/34/643312134.db2.gz RJJXXADFLSXPKM-HNNXBMFYSA-N 2 1 266.429 2.099 20 0 CEADMP CO[C@@H](C[N@@H+](C)C1CCC([NH3+])CC1)C1CCCC1 ZINC000852741338 643527725 /nfs/dbraw/zinc/52/77/25/643527725.db2.gz QZFULFWILTXBCT-NRXISQOPSA-N 2 1 254.418 2.393 20 0 CEADMP C[N@@H+](Cc1cccc2ccccc21)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923300357 643644246 /nfs/dbraw/zinc/64/42/46/643644246.db2.gz GFPSWVJKEYOLJO-XIRDDKMYSA-N 2 1 270.376 2.122 20 0 CEADMP C[C@](C[NH3+])([NH2+]C[C@H](O)c1ccc(F)cc1Cl)C1CC1 ZINC000923295881 643646837 /nfs/dbraw/zinc/64/68/37/643646837.db2.gz JLYYORHKINIYOV-UONOGXRCSA-N 2 1 286.778 2.230 20 0 CEADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCCc2ccccc21 ZINC000923297796 643648321 /nfs/dbraw/zinc/64/83/21/643648321.db2.gz JWXVKPHJWLGJBT-DOTOQJQBSA-N 2 1 286.419 2.374 20 0 CEADMP COc1ccc([C@H](C)[N@@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923300856 643649343 /nfs/dbraw/zinc/64/93/43/643649343.db2.gz LQPFQCLHIVQULG-XJKSGUPXSA-N 2 1 290.407 2.067 20 0 CEADMP c1csc(C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C2CC2)c1 ZINC000923303687 643651466 /nfs/dbraw/zinc/65/14/66/643651466.db2.gz IDNHYFCAJFKGKI-ZDUSSCGKSA-N 2 1 278.421 2.091 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923314525 643655143 /nfs/dbraw/zinc/65/51/43/643655143.db2.gz AGDCGJLOEJKXER-HYVNUMGLSA-N 2 1 286.419 2.243 20 0 CEADMP C(C[N@H+]1CCC[C@@H]2COCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923318877 643656913 /nfs/dbraw/zinc/65/69/13/643656913.db2.gz PWHNIIUOJGJVPM-HZAFXNSLSA-N 2 1 278.440 2.408 20 0 CEADMP O[C@@H](CCc1ccccc1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923331456 643662046 /nfs/dbraw/zinc/66/20/46/643662046.db2.gz MFBCUIPQROSVHD-KRWDZBQOSA-N 2 1 288.435 2.056 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)c(F)c3)C[C@@H]21 ZINC000923335050 643666693 /nfs/dbraw/zinc/66/66/93/643666693.db2.gz ZYZFUQOQGLUGIH-KOZAUXTDSA-N 2 1 296.361 2.057 20 0 CEADMP C[N@@H+](C[C@H](O)CCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000923335499 643666999 /nfs/dbraw/zinc/66/69/99/643666999.db2.gz QMVQXMJEWAJAPH-IAGOWNOFSA-N 2 1 276.424 2.054 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)CC[C@@H]1[NH3+] ZINC000923346825 643676448 /nfs/dbraw/zinc/67/64/48/643676448.db2.gz UXACTIOKZKMDBW-ZACQAIPSSA-N 2 1 276.424 2.039 20 0 CEADMP CCc1onc(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923357155 643679660 /nfs/dbraw/zinc/67/96/60/643679660.db2.gz WYTATHAZIMWPME-OAHLLOKOSA-N 2 1 263.385 2.121 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923357155 643679661 /nfs/dbraw/zinc/67/96/61/643679661.db2.gz WYTATHAZIMWPME-OAHLLOKOSA-N 2 1 263.385 2.121 20 0 CEADMP O[C@H](Cc1ccccc1)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000923365396 643680523 /nfs/dbraw/zinc/68/05/23/643680523.db2.gz SOSSZQOFIDABJA-KZNAEPCWSA-N 2 1 288.435 2.197 20 0 CEADMP O[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000923365396 643680528 /nfs/dbraw/zinc/68/05/28/643680528.db2.gz SOSSZQOFIDABJA-KZNAEPCWSA-N 2 1 288.435 2.197 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923362216 643684109 /nfs/dbraw/zinc/68/41/09/643684109.db2.gz MAVONVHXWCNCCU-BRWVUGGUSA-N 2 1 280.456 2.249 20 0 CEADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCCC[C@H]1C1CCC1 ZINC000923385214 643685409 /nfs/dbraw/zinc/68/54/09/643685409.db2.gz XNAOSHOUTWNVCA-GJZGRUSLSA-N 2 1 264.413 2.020 20 0 CEADMP CC[C@@H](C)[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)OC ZINC000923374286 643685441 /nfs/dbraw/zinc/68/54/41/643685441.db2.gz UWDHBKMWGIWQBD-FFHGMXDLSA-N 2 1 282.428 2.181 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)C[C@@H]1C[NH3+] ZINC000923381884 643688284 /nfs/dbraw/zinc/68/82/84/643688284.db2.gz HMRHBCQWQITEAV-IZBNFRDHSA-N 2 1 298.377 2.303 20 0 CEADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCCC2(CCCC2)CC1 ZINC000923386582 643692639 /nfs/dbraw/zinc/69/26/39/643692639.db2.gz OPTXFIJKQHJVAR-HNNXBMFYSA-N 2 1 278.440 2.411 20 0 CEADMP Fc1cccc(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000923414368 643702001 /nfs/dbraw/zinc/70/20/01/643702001.db2.gz LVSFYKKLDNOSFC-HOCLYGCPSA-N 2 1 262.372 2.442 20 0 CEADMP Cn1nc(C(F)(F)F)cc1C[N@@H+](C)CCCCCC[NH3+] ZINC000923424619 643703859 /nfs/dbraw/zinc/70/38/59/643703859.db2.gz HFRHCQZXMJZBTI-UHFFFAOYSA-N 2 1 292.349 2.390 20 0 CEADMP CC(C)CC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000923427278 643706531 /nfs/dbraw/zinc/70/65/31/643706531.db2.gz IXLDXBVUTPOGHW-KGLIPLIRSA-N 2 1 254.418 2.048 20 0 CEADMP c1ccc([C@@]23C[C@@H]2C[N@H+](CCC[NH2+]C2CC2)C3)cc1 ZINC000923428594 643706920 /nfs/dbraw/zinc/70/69/20/643706920.db2.gz JTCANOAKOGKGMX-WBVHZDCISA-N 2 1 256.393 2.402 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923487672 643730875 /nfs/dbraw/zinc/73/08/75/643730875.db2.gz GCYKNCAYFYUNGT-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923478863 643731138 /nfs/dbraw/zinc/73/11/38/643731138.db2.gz IGMOORPYIIUFPP-BEFAXECRSA-N 2 1 298.430 2.414 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c(C)s1 ZINC000923485883 643733261 /nfs/dbraw/zinc/73/32/61/643733261.db2.gz XMLGVFIXACMUGM-LLVKDONJSA-N 2 1 282.409 2.014 20 0 CEADMP C[C@H]1C[N@H+](Cc2cncc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923495171 643733798 /nfs/dbraw/zinc/73/37/98/643733798.db2.gz UTGUUWJAVXEJFZ-CMPLNLGQSA-N 2 1 298.228 2.261 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cncc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923495171 643733802 /nfs/dbraw/zinc/73/38/02/643733802.db2.gz UTGUUWJAVXEJFZ-CMPLNLGQSA-N 2 1 298.228 2.261 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CC[C@H]1C[NH3+] ZINC000923495762 643734356 /nfs/dbraw/zinc/73/43/56/643734356.db2.gz XOINQXJGEPMWGK-JSGCOSHPSA-N 2 1 260.381 2.134 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)CC[C@H]1C[NH3+] ZINC000923494035 643738602 /nfs/dbraw/zinc/73/86/02/643738602.db2.gz KEEYLBFPNAAKBL-JSGCOSHPSA-N 2 1 264.417 2.055 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)C1CCCC1 ZINC000923496789 643739284 /nfs/dbraw/zinc/73/92/84/643739284.db2.gz DNOOLNCHPPOUJH-LSDHHAIUSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(-c3ccco3)on2)CC[C@@H]1C[NH3+] ZINC000923499170 643740382 /nfs/dbraw/zinc/74/03/82/643740382.db2.gz KTPAGFNWJGZQNZ-NWDGAFQWSA-N 2 1 275.352 2.351 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)[C@@H]2C[NH+]3CCC2CC3)c1C ZINC000877707005 650862513 /nfs/dbraw/zinc/86/25/13/650862513.db2.gz XESBXNOMZVTOHO-MRXNPFEDSA-N 2 1 289.423 2.233 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c(F)cccc2F)CC[C@@H]1C[NH3+] ZINC000923501164 643742129 /nfs/dbraw/zinc/74/21/29/643742129.db2.gz XXSORPOLWCUSEZ-GHMZBOCLSA-N 2 1 254.324 2.382 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923505061 643743119 /nfs/dbraw/zinc/74/31/19/643743119.db2.gz XFKYRPSHXPCKKU-GJZGRUSLSA-N 2 1 262.397 2.291 20 0 CEADMP CO[C@@H](C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)C1CCC1 ZINC000923532803 643754361 /nfs/dbraw/zinc/75/43/61/643754361.db2.gz HFPBOCAHDQAFAN-GJZGRUSLSA-N 2 1 252.402 2.020 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)C1CCC1 ZINC000923532803 643754363 /nfs/dbraw/zinc/75/43/63/643754363.db2.gz HFPBOCAHDQAFAN-GJZGRUSLSA-N 2 1 252.402 2.020 20 0 CEADMP C(C[N@H+]1CCC[C@@H](C2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000923548925 643757054 /nfs/dbraw/zinc/75/70/54/643757054.db2.gz CIJGCBJIIFWNOG-GOEBONIOSA-N 2 1 266.429 2.125 20 0 CEADMP CC(C)C[C@@H]1CN(C)CC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000923555573 643761538 /nfs/dbraw/zinc/76/15/38/643761538.db2.gz SNKYALUQOLISDD-QGZVFWFLSA-N 2 1 281.488 2.428 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000838144951 643860631 /nfs/dbraw/zinc/86/06/31/643860631.db2.gz NADXCFCZIVFYPH-INIZCTEOSA-N 2 1 297.487 2.347 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000838144951 643860636 /nfs/dbraw/zinc/86/06/36/643860636.db2.gz NADXCFCZIVFYPH-INIZCTEOSA-N 2 1 297.487 2.347 20 0 CEADMP C[NH+](C)CCC[N@H+](C)CCNc1nccc(C(C)(C)C)n1 ZINC000853797837 643903811 /nfs/dbraw/zinc/90/38/11/643903811.db2.gz FPTGDXOHVCFCBM-UHFFFAOYSA-N 2 1 293.459 2.070 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)CCNc1nccc(C(C)(C)C)n1 ZINC000853797837 643903813 /nfs/dbraw/zinc/90/38/13/643903813.db2.gz FPTGDXOHVCFCBM-UHFFFAOYSA-N 2 1 293.459 2.070 20 0 CEADMP C[N@@H+](C[C@@H](O)C1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000838859554 644051545 /nfs/dbraw/zinc/05/15/45/644051545.db2.gz LISXPYMAEFUHJV-SJLPKXTDSA-N 2 1 288.435 2.211 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC000886612028 644263926 /nfs/dbraw/zinc/26/39/26/644263926.db2.gz AACPEPPXCSGICY-IHRRRGAJSA-N 2 1 270.417 2.038 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC000886612028 644263928 /nfs/dbraw/zinc/26/39/28/644263928.db2.gz AACPEPPXCSGICY-IHRRRGAJSA-N 2 1 270.417 2.038 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC000855288482 644295488 /nfs/dbraw/zinc/29/54/88/644295488.db2.gz JOCFYNZRPPRVTF-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP Clc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000754796271 644431666 /nfs/dbraw/zinc/43/16/66/644431666.db2.gz VDLMFXTWKKGDFJ-KBPBESRZSA-N 2 1 279.815 2.494 20 0 CEADMP c1ccc(NCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000754793237 644431803 /nfs/dbraw/zinc/43/18/03/644431803.db2.gz DSFIBFXHWSHXAY-HZPDHXFCSA-N 2 1 259.397 2.315 20 0 CEADMP OCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccs1 ZINC000754795748 644431828 /nfs/dbraw/zinc/43/18/28/644431828.db2.gz OQKQHWSNJWFPFK-IHRRRGAJSA-N 2 1 280.437 2.388 20 0 CEADMP OCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000754795748 644431831 /nfs/dbraw/zinc/43/18/31/644431831.db2.gz OQKQHWSNJWFPFK-IHRRRGAJSA-N 2 1 280.437 2.388 20 0 CEADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC)C2)ccn1 ZINC000856592541 644695544 /nfs/dbraw/zinc/69/55/44/644695544.db2.gz VHHJRYTYSGDORY-HNNXBMFYSA-N 2 1 263.385 2.006 20 0 CEADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC)C2)ccn1 ZINC000856592541 644695547 /nfs/dbraw/zinc/69/55/47/644695547.db2.gz VHHJRYTYSGDORY-HNNXBMFYSA-N 2 1 263.385 2.006 20 0 CEADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC)C2)ccn1 ZINC000856592541 644695551 /nfs/dbraw/zinc/69/55/51/644695551.db2.gz VHHJRYTYSGDORY-HNNXBMFYSA-N 2 1 263.385 2.006 20 0 CEADMP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925490910 644742054 /nfs/dbraw/zinc/74/20/54/644742054.db2.gz PGVKJLSHQJDNAZ-RBSFLKMASA-N 2 1 269.477 2.458 20 0 CEADMP C[C@H](C[NH2+]Cc1ccnc(F)c1)C[NH+]1CCCCC1 ZINC000858101095 645061472 /nfs/dbraw/zinc/06/14/72/645061472.db2.gz YYAFLCOVTIWTOF-CYBMUJFWSA-N 2 1 265.376 2.432 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CCO)Cc2ccccc2)CC1(C)C ZINC000858161598 645078344 /nfs/dbraw/zinc/07/83/44/645078344.db2.gz BTFBKKFSDNHRAA-IAGOWNOFSA-N 2 1 290.451 2.443 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)CC1(C)C ZINC000858189091 645083894 /nfs/dbraw/zinc/08/38/94/645083894.db2.gz DYQFTAOOTQFWIO-STQMWFEESA-N 2 1 252.402 2.160 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@@H]2CCCOC2)s1 ZINC000858206439 645087619 /nfs/dbraw/zinc/08/76/19/645087619.db2.gz JKLCXAFXGUSFNW-LBPRGKRZSA-N 2 1 283.441 2.111 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858246172 645097492 /nfs/dbraw/zinc/09/74/92/645097492.db2.gz WUUBMFVKZBPFMB-CYBMUJFWSA-N 2 1 251.349 2.042 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858246172 645097494 /nfs/dbraw/zinc/09/74/94/645097494.db2.gz WUUBMFVKZBPFMB-CYBMUJFWSA-N 2 1 251.349 2.042 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)C(C)(C)C)CC1 ZINC000759966627 645097908 /nfs/dbraw/zinc/09/79/08/645097908.db2.gz MNIJVFMFVBGYDQ-ZDUSSCGKSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)n(C)n1 ZINC000858490856 645179463 /nfs/dbraw/zinc/17/94/63/645179463.db2.gz QUOARTLVXATWNI-KGLIPLIRSA-N 2 1 264.417 2.111 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)n(C)n1 ZINC000858490856 645179468 /nfs/dbraw/zinc/17/94/68/645179468.db2.gz QUOARTLVXATWNI-KGLIPLIRSA-N 2 1 264.417 2.111 20 0 CEADMP C[N@@H+](C[C@@H]1CC2(CCC2)CO1)C[C@@H]1CCC[NH+](C)C1 ZINC000878126200 651008050 /nfs/dbraw/zinc/00/80/50/651008050.db2.gz UORHFFHOCNZPMX-CABCVRRESA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](C[C@@H]1CC2(CCC2)CO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000878126200 651008053 /nfs/dbraw/zinc/00/80/53/651008053.db2.gz UORHFFHOCNZPMX-CABCVRRESA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](C[C@@H]1CC2(CCC2)CO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878126200 651008057 /nfs/dbraw/zinc/00/80/57/651008057.db2.gz UORHFFHOCNZPMX-CABCVRRESA-N 2 1 266.429 2.219 20 0 CEADMP FC(F)(F)OCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000878126300 651007890 /nfs/dbraw/zinc/00/78/90/651007890.db2.gz WVSVPWJMCVUAHA-GFCCVEGCSA-N 2 1 280.334 2.331 20 0 CEADMP FC(F)(F)OCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000878126300 651007893 /nfs/dbraw/zinc/00/78/93/651007893.db2.gz WVSVPWJMCVUAHA-GFCCVEGCSA-N 2 1 280.334 2.331 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2COC(C)(C)O2)cc1 ZINC000859213303 645421745 /nfs/dbraw/zinc/42/17/45/645421745.db2.gz VCVDMDLFDUMISK-MRXNPFEDSA-N 2 1 292.423 2.332 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@H](O)C(C)C)C1 ZINC000878148533 651013438 /nfs/dbraw/zinc/01/34/38/651013438.db2.gz ORORZYUPBBGAHH-GJZGRUSLSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000878165412 651021775 /nfs/dbraw/zinc/02/17/75/651021775.db2.gz YMZDVJRNWKJHHQ-VNQPRFMTSA-N 2 1 266.429 2.360 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000878165412 651021777 /nfs/dbraw/zinc/02/17/77/651021777.db2.gz YMZDVJRNWKJHHQ-VNQPRFMTSA-N 2 1 266.429 2.360 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H](OC)C2)[C@H](C)C1 ZINC000878257301 651046176 /nfs/dbraw/zinc/04/61/76/651046176.db2.gz GJGMXEBJRNYPBH-APIJFGDWSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H]2C[C@@H](OC)C2)[C@H](C)C1 ZINC000878257301 651046179 /nfs/dbraw/zinc/04/61/79/651046179.db2.gz GJGMXEBJRNYPBH-APIJFGDWSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H](OC)C2)[C@H](C)C1 ZINC000878257301 651046182 /nfs/dbraw/zinc/04/61/82/651046182.db2.gz GJGMXEBJRNYPBH-APIJFGDWSA-N 2 1 254.418 2.074 20 0 CEADMP CN(CC(F)F)C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000767429158 645991698 /nfs/dbraw/zinc/99/16/98/645991698.db2.gz LKSPFKXCHLFRGL-ZDUSSCGKSA-N 2 1 289.414 2.132 20 0 CEADMP CC(C)CC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000768161149 646091888 /nfs/dbraw/zinc/09/18/88/646091888.db2.gz HRQNITBWAMLCNL-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000768161149 646091895 /nfs/dbraw/zinc/09/18/95/646091895.db2.gz HRQNITBWAMLCNL-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC2(O)CCCC2)cc1 ZINC000769446846 646267960 /nfs/dbraw/zinc/26/79/60/646267960.db2.gz CLERWYYHJGERQH-UHFFFAOYSA-N 2 1 276.424 2.485 20 0 CEADMP Cc1c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccnc1F ZINC000862254445 646383376 /nfs/dbraw/zinc/38/33/76/646383376.db2.gz ZPMVIPJVZFVNAE-GJZGRUSLSA-N 2 1 277.387 2.445 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CC(F)(F)C1 ZINC000862279364 646391430 /nfs/dbraw/zinc/39/14/30/646391430.db2.gz QXEISPBAVNXDMS-LLVKDONJSA-N 2 1 276.371 2.121 20 0 CEADMP Cc1c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccnc1F ZINC000862347898 646405022 /nfs/dbraw/zinc/40/50/22/646405022.db2.gz SXZAGVIZFSXJPG-CYBMUJFWSA-N 2 1 295.402 2.120 20 0 CEADMP Cc1c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccnc1F ZINC000862347898 646405029 /nfs/dbraw/zinc/40/50/29/646405029.db2.gz SXZAGVIZFSXJPG-CYBMUJFWSA-N 2 1 295.402 2.120 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000862483326 646475017 /nfs/dbraw/zinc/47/50/17/646475017.db2.gz SJCINIZYWCIYAB-CQSZACIVSA-N 2 1 284.444 2.287 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000863553134 646755264 /nfs/dbraw/zinc/75/52/64/646755264.db2.gz VNPLCYFOINYZGJ-CHWSQXEVSA-N 3 1 295.393 2.355 20 0 CEADMP [NH3+]CCCCCCCN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000863553134 646755265 /nfs/dbraw/zinc/75/52/65/646755265.db2.gz VNPLCYFOINYZGJ-CHWSQXEVSA-N 2 1 295.393 2.355 20 0 CEADMP C[C@@H](C1CCCCC1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000773974940 646791751 /nfs/dbraw/zinc/79/17/51/646791751.db2.gz GIBKRAJDSZJTPZ-HOCLYGCPSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000773974940 646791752 /nfs/dbraw/zinc/79/17/52/646791752.db2.gz GIBKRAJDSZJTPZ-HOCLYGCPSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000863983163 646864972 /nfs/dbraw/zinc/86/49/72/646864972.db2.gz DCOUPDYTTJATPH-LBPRGKRZSA-N 2 1 297.443 2.116 20 0 CEADMP Cc1cc(N2CCC(Oc3cc[nH+]cc3C)CC2)nc(N)[nH+]1 ZINC000774736056 646888159 /nfs/dbraw/zinc/88/81/59/646888159.db2.gz KYGIJPTXNJALLB-UHFFFAOYSA-N 2 1 299.378 2.118 20 0 CEADMP CC[C@@H]1CCN(C(=[NH2+])NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000864455997 647011009 /nfs/dbraw/zinc/01/10/09/647011009.db2.gz DLEPUMACWPHPBS-HUUCEWRRSA-N 2 1 280.460 2.363 20 0 CEADMP Cc1[nH+]ccn1CCCCOC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805614882 647263956 /nfs/dbraw/zinc/26/39/56/647263956.db2.gz MZVUQHUTXAKKCQ-UHFFFAOYSA-N 2 1 293.411 2.389 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)CCO)C1 ZINC000779339664 647313590 /nfs/dbraw/zinc/31/35/90/647313590.db2.gz FCBGFGMTBYGXPF-ZIAGYGMSSA-N 2 1 256.434 2.248 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)CCO)C1 ZINC000779339664 647313594 /nfs/dbraw/zinc/31/35/94/647313594.db2.gz FCBGFGMTBYGXPF-ZIAGYGMSSA-N 2 1 256.434 2.248 20 0 CEADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)CCO)C1 ZINC000779339661 647313446 /nfs/dbraw/zinc/31/34/46/647313446.db2.gz FCBGFGMTBYGXPF-KBPBESRZSA-N 2 1 256.434 2.248 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)CCO)C1 ZINC000779339661 647313448 /nfs/dbraw/zinc/31/34/48/647313448.db2.gz FCBGFGMTBYGXPF-KBPBESRZSA-N 2 1 256.434 2.248 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC12CCOCC2 ZINC000865777788 647460195 /nfs/dbraw/zinc/46/01/95/647460195.db2.gz LKPYXVJROLOLFH-BZUAXINKSA-N 2 1 278.440 2.410 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1N[C@@H]1CCc2[nH]cnc2C1 ZINC000865817927 647476708 /nfs/dbraw/zinc/47/67/08/647476708.db2.gz JEZXLHYSFZROMY-MRVPVSSYSA-N 2 1 282.269 2.215 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1C ZINC000782194456 647599005 /nfs/dbraw/zinc/59/90/05/647599005.db2.gz YPWLDCDWPLOTLN-CZUORRHYSA-N 2 1 291.439 2.479 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1C ZINC000782194456 647599006 /nfs/dbraw/zinc/59/90/06/647599006.db2.gz YPWLDCDWPLOTLN-CZUORRHYSA-N 2 1 291.439 2.479 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2cccnc2)C1 ZINC000866237766 647686878 /nfs/dbraw/zinc/68/68/78/647686878.db2.gz LJZIMHNFBBDJSH-GOEBONIOSA-N 2 1 261.413 2.334 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C)CCc2cccnc2)CC1 ZINC000866242675 647690508 /nfs/dbraw/zinc/69/05/08/647690508.db2.gz QLIFXRUOMKLEOS-OAHLLOKOSA-N 2 1 291.439 2.103 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCc2cccc3cccc1c32 ZINC000866263057 647702492 /nfs/dbraw/zinc/70/24/92/647702492.db2.gz LVKYSBGHSFGTMR-WBVHZDCISA-N 2 1 284.403 2.339 20 0 CEADMP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000866263165 647702614 /nfs/dbraw/zinc/70/26/14/647702614.db2.gz NNKNHFOJDAVGCN-GDBMZVCRSA-N 2 1 261.413 2.334 20 0 CEADMP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000866274160 647710838 /nfs/dbraw/zinc/71/08/38/647710838.db2.gz XBQZHMHBUKCWOV-IIAWOOMASA-N 2 1 261.413 2.475 20 0 CEADMP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000866274160 647710842 /nfs/dbraw/zinc/71/08/42/647710842.db2.gz XBQZHMHBUKCWOV-IIAWOOMASA-N 2 1 261.413 2.475 20 0 CEADMP Cc1cccc([C@H]2CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)c1 ZINC000784476793 647854813 /nfs/dbraw/zinc/85/48/13/647854813.db2.gz CGGXFOFJTHCNBF-ZWKOTPCHSA-N 2 1 288.435 2.241 20 0 CEADMP CCCCCCNC(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703235 647875437 /nfs/dbraw/zinc/87/54/37/647875437.db2.gz HBHBHEFBXMNPFH-KRWDZBQOSA-N 2 1 297.487 2.380 20 0 CEADMP CCCCCCNC(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703235 647875440 /nfs/dbraw/zinc/87/54/40/647875440.db2.gz HBHBHEFBXMNPFH-KRWDZBQOSA-N 2 1 297.487 2.380 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705279 647876533 /nfs/dbraw/zinc/87/65/33/647876533.db2.gz WPOBOQTVMCBVGO-SUMWQHHRSA-N 2 1 297.487 2.377 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705278 647877020 /nfs/dbraw/zinc/87/70/20/647877020.db2.gz WPOBOQTVMCBVGO-GUYCJALGSA-N 2 1 297.487 2.377 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000866709983 647879560 /nfs/dbraw/zinc/87/95/60/647879560.db2.gz VJRFAHBKIQNDSC-DGCLKSJQSA-N 2 1 276.371 2.108 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCc3sccc3C2)CC1 ZINC000788469407 648192067 /nfs/dbraw/zinc/19/20/67/648192067.db2.gz JNLXWNLOPINCHA-UHFFFAOYSA-N 2 1 250.411 2.448 20 0 CEADMP COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000788556122 648202527 /nfs/dbraw/zinc/20/25/27/648202527.db2.gz FJTOFMVSGYKIGO-GFCCVEGCSA-N 2 1 288.395 2.479 20 0 CEADMP CCOC(=O)C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000792194661 648623311 /nfs/dbraw/zinc/62/33/11/648623311.db2.gz FJIWVQKJMLOBEO-HUUCEWRRSA-N 2 1 294.439 2.326 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC3(CCC3)C(=O)O2)C[C@@H]1C ZINC000792237001 648629830 /nfs/dbraw/zinc/62/98/30/648629830.db2.gz QMRPJFYOOOJZGV-KKUMJFAQSA-N 2 1 294.439 2.277 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC3(CCC3)C(=O)O2)C[C@@H]1C ZINC000792237001 648629832 /nfs/dbraw/zinc/62/98/32/648629832.db2.gz QMRPJFYOOOJZGV-KKUMJFAQSA-N 2 1 294.439 2.277 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)C[C@@H]1C ZINC000792237001 648629835 /nfs/dbraw/zinc/62/98/35/648629835.db2.gz QMRPJFYOOOJZGV-KKUMJFAQSA-N 2 1 294.439 2.277 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)C[C@@H]1C ZINC000792237001 648629837 /nfs/dbraw/zinc/62/98/37/648629837.db2.gz QMRPJFYOOOJZGV-KKUMJFAQSA-N 2 1 294.439 2.277 20 0 CEADMP Cc1cccc(C[N@H+](C)C[C@H](O)C[NH+]2CCCC2)c1C ZINC000794639391 648897110 /nfs/dbraw/zinc/89/71/10/648897110.db2.gz AKLRCGIAKLQCMF-KRWDZBQOSA-N 2 1 276.424 2.192 20 0 CEADMP Cc1cccc(C[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)c1C ZINC000794639391 648897113 /nfs/dbraw/zinc/89/71/13/648897113.db2.gz AKLRCGIAKLQCMF-KRWDZBQOSA-N 2 1 276.424 2.192 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870876644 648940560 /nfs/dbraw/zinc/94/05/60/648940560.db2.gz HUPKCCNSZURVKA-OWCLPIDISA-N 2 1 295.471 2.275 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH2+]CC1CC1 ZINC000870876671 648940583 /nfs/dbraw/zinc/94/05/83/648940583.db2.gz JWLKLLGWGZTFLX-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000871153680 649014924 /nfs/dbraw/zinc/01/49/24/649014924.db2.gz QUUNSBLQKWMWOB-KFWWJZLASA-N 2 1 295.471 2.190 20 0 CEADMP [NH3+][C@H](Cc1ccccc1)c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871791880 649188023 /nfs/dbraw/zinc/18/80/23/649188023.db2.gz IYLRGFMSVHSNQW-JALIKCBVSA-N 2 1 298.390 2.310 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C1 ZINC000871796765 649189438 /nfs/dbraw/zinc/18/94/38/649189438.db2.gz KSEWWBVZWJZCKC-XYTAGDGMSA-N 2 1 276.384 2.128 20 0 CEADMP C([C@@H]1CC2(CCC2)CO1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000872142767 649292018 /nfs/dbraw/zinc/29/20/18/649292018.db2.gz CPBKPUWNPHKVST-JYJNAYRXSA-N 2 1 278.440 2.410 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000872143611 649292640 /nfs/dbraw/zinc/29/26/40/649292640.db2.gz UQISVBCSIPSFAF-ILXRZTDVSA-N 2 1 266.429 2.266 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000872143614 649293230 /nfs/dbraw/zinc/29/32/30/649293230.db2.gz UQISVBCSIPSFAF-SOUVJXGZSA-N 2 1 266.429 2.266 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000872145186 649295417 /nfs/dbraw/zinc/29/54/17/649295417.db2.gz PRHRPMUOGZPBRY-QKPAOTATSA-N 2 1 296.455 2.162 20 0 CEADMP CC(C)c1cc([C@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)[nH]n1 ZINC000872146263 649296117 /nfs/dbraw/zinc/29/61/17/649296117.db2.gz JAXKGJJEALZNCI-KGLIPLIRSA-N 2 1 276.428 2.322 20 0 CEADMP CC(C)c1cc([C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000872146263 649296120 /nfs/dbraw/zinc/29/61/20/649296120.db2.gz JAXKGJJEALZNCI-KGLIPLIRSA-N 2 1 276.428 2.322 20 0 CEADMP Cc1csc([C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000872148183 649296656 /nfs/dbraw/zinc/29/66/56/649296656.db2.gz NZFVQZPKCGMPAI-STQMWFEESA-N 2 1 265.426 2.240 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000872153906 649298186 /nfs/dbraw/zinc/29/81/86/649298186.db2.gz JPVSHPYTJCMYSO-UTUOFQBUSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000872153906 649298191 /nfs/dbraw/zinc/29/81/91/649298191.db2.gz JPVSHPYTJCMYSO-UTUOFQBUSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872155558 649299782 /nfs/dbraw/zinc/29/97/82/649299782.db2.gz QAZDBGPWBVTELW-HZPDHXFCSA-N 2 1 297.487 2.474 20 0 CEADMP C[NH+](C)Cc1cnc(CN[C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000872253910 649329687 /nfs/dbraw/zinc/32/96/87/649329687.db2.gz MHVPSXFNMRHKEG-LBPRGKRZSA-N 2 1 296.484 2.073 20 0 CEADMP C[C@@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000872276883 649340105 /nfs/dbraw/zinc/34/01/05/649340105.db2.gz SVMCNWHZDKQYJV-JONQDZQNSA-N 2 1 295.471 2.273 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000872276897 649340240 /nfs/dbraw/zinc/34/02/40/649340240.db2.gz TZCLSYFEHLQYCF-JJXSEGSLSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@H]1C[N@@H+](CCCNc2cc[nH+]cc2C2CC2)CCCO1 ZINC000872522088 649412952 /nfs/dbraw/zinc/41/29/52/649412952.db2.gz HYQMIKJLCOXHHQ-AWEZNQCLSA-N 2 1 289.423 2.294 20 0 CEADMP C[N@H+]1CC[C@H]2CN(c3cc[nH+]cc3C3CC3)CC[C@@H]21 ZINC000872626065 649444227 /nfs/dbraw/zinc/44/42/27/649444227.db2.gz MCFSXYQYADJKNQ-ZFWWWQNUSA-N 2 1 257.381 2.489 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(N)cn2)CC1 ZINC000873203274 649587155 /nfs/dbraw/zinc/58/71/55/649587155.db2.gz WELXBOUNIOMZKW-UHFFFAOYSA-N 2 1 291.443 2.003 20 0 CEADMP c1c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)sc2c1C[NH2+]CC2 ZINC000873207356 649590190 /nfs/dbraw/zinc/59/01/90/649590190.db2.gz AISIRPTUWNPDBB-DOMZBBRYSA-N 2 1 292.448 2.395 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1cnc(N2CCCC2)nc1 ZINC000873231329 649602597 /nfs/dbraw/zinc/60/25/97/649602597.db2.gz GKRSBTFWTASLAN-UHFFFAOYSA-N 2 1 291.443 2.028 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1c[nH+]ccc1N ZINC000873250787 649609429 /nfs/dbraw/zinc/60/94/29/649609429.db2.gz HXSJAHLPLJEIKN-STQMWFEESA-N 2 1 275.396 2.352 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254654 649611663 /nfs/dbraw/zinc/61/16/63/649611663.db2.gz ZWTRDPLNUNLCQI-NRSFXHEJSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254654 649611667 /nfs/dbraw/zinc/61/16/67/649611667.db2.gz ZWTRDPLNUNLCQI-NRSFXHEJSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1c[nH+]ccc1N ZINC000873265029 649617394 /nfs/dbraw/zinc/61/73/94/649617394.db2.gz GFXGGYRREXDZMM-SJKOYZFVSA-N 2 1 282.391 2.331 20 0 CEADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873272989 649620198 /nfs/dbraw/zinc/62/01/98/649620198.db2.gz BYFIYYRUIOANMX-YVECIDJPSA-N 2 1 292.345 2.240 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC000873282828 649625096 /nfs/dbraw/zinc/62/50/96/649625096.db2.gz HQNPOTLLALSZQN-NEPJUHHUSA-N 2 1 275.352 2.283 20 0 CEADMP CO[C@H]1CC[C@@H]([N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000878747065 651178142 /nfs/dbraw/zinc/17/81/42/651178142.db2.gz HGVYQMOXQWLLBQ-CVEARBPZSA-N 2 1 275.396 2.161 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249970 651270259 /nfs/dbraw/zinc/27/02/59/651270259.db2.gz IFPMTXOHKPXNEO-MRXNPFEDSA-N 3 1 279.472 2.279 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CCN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249970 651270260 /nfs/dbraw/zinc/27/02/60/651270260.db2.gz IFPMTXOHKPXNEO-MRXNPFEDSA-N 2 1 279.472 2.279 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249970 651270262 /nfs/dbraw/zinc/27/02/62/651270262.db2.gz IFPMTXOHKPXNEO-MRXNPFEDSA-N 2 1 279.472 2.279 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000879406103 651298197 /nfs/dbraw/zinc/29/81/97/651298197.db2.gz FVDCDZVDPDAHCR-ZDUSSCGKSA-N 2 1 251.374 2.129 20 0 CEADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CC1(C)COC1 ZINC000879702141 651341214 /nfs/dbraw/zinc/34/12/14/651341214.db2.gz HNMMVNIDABGKGO-UHFFFAOYSA-N 2 1 268.445 2.323 20 0 CEADMP CC(C)C[N@@H+](CC[C@@H](C)O)CC1CC[NH+](C)CC1 ZINC000879703852 651341485 /nfs/dbraw/zinc/34/14/85/651341485.db2.gz ZKZIUOIXSPXNOR-CQSZACIVSA-N 2 1 256.434 2.057 20 0 CEADMP CCN(CC)C(=O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702528 651341647 /nfs/dbraw/zinc/34/16/47/651341647.db2.gz OMQUBKYZECQEGA-UHFFFAOYSA-N 2 1 297.487 2.155 20 0 CEADMP CC(C)C[N@@H+](C[C@H](O)C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000879704638 651341699 /nfs/dbraw/zinc/34/16/99/651341699.db2.gz QWHIABCYEAPNTG-ZDUSSCGKSA-N 2 1 296.377 2.209 20 0 CEADMP Cn1c[nH+]cc1CCN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879951133 651364212 /nfs/dbraw/zinc/36/42/12/651364212.db2.gz HPRGNYXTDGXBCS-UHFFFAOYSA-N 2 1 290.455 2.303 20 0 CEADMP O[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000128115714 651366027 /nfs/dbraw/zinc/36/60/27/651366027.db2.gz QYJNLKKNORXPCF-LALPHHSUSA-N 2 1 296.361 2.215 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000128115714 651366029 /nfs/dbraw/zinc/36/60/29/651366029.db2.gz QYJNLKKNORXPCF-LALPHHSUSA-N 2 1 296.361 2.215 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000128115714 651366031 /nfs/dbraw/zinc/36/60/31/651366031.db2.gz QYJNLKKNORXPCF-LALPHHSUSA-N 2 1 296.361 2.215 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1C ZINC000880134526 651388668 /nfs/dbraw/zinc/38/86/68/651388668.db2.gz SWHOSFMMAOPTIQ-CVEARBPZSA-N 2 1 289.423 2.376 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1C ZINC000880134526 651388670 /nfs/dbraw/zinc/38/86/70/651388670.db2.gz SWHOSFMMAOPTIQ-CVEARBPZSA-N 2 1 289.423 2.376 20 0 CEADMP CC[C@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)OC ZINC000880258150 651411280 /nfs/dbraw/zinc/41/12/80/651411280.db2.gz DHTBYOXZSJVIST-UKRRQHHQSA-N 2 1 263.385 2.017 20 0 CEADMP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cn1 ZINC000880259558 651411548 /nfs/dbraw/zinc/41/15/48/651411548.db2.gz WDSVMEXFUFJNHR-OAHLLOKOSA-N 2 1 282.391 2.496 20 0 CEADMP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cn1 ZINC000880259558 651411549 /nfs/dbraw/zinc/41/15/49/651411549.db2.gz WDSVMEXFUFJNHR-OAHLLOKOSA-N 2 1 282.391 2.496 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)CCN1c1cc[nH+]cc1 ZINC000880259123 651411580 /nfs/dbraw/zinc/41/15/80/651411580.db2.gz MYDQYPAJWDYVFZ-ZBFHGGJFSA-N 2 1 289.423 2.407 20 0 CEADMP Cc1ccncc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260077 651412173 /nfs/dbraw/zinc/41/21/73/651412173.db2.gz NCFHMVTUPRWUKO-OAHLLOKOSA-N 2 1 282.391 2.496 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261435 651412568 /nfs/dbraw/zinc/41/25/68/651412568.db2.gz WAMVGYOYKYKHOM-GFCCVEGCSA-N 2 1 286.379 2.397 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261435 651412569 /nfs/dbraw/zinc/41/25/69/651412569.db2.gz WAMVGYOYKYKHOM-GFCCVEGCSA-N 2 1 286.379 2.397 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ncccn2)CCC1 ZINC000880366129 651430168 /nfs/dbraw/zinc/43/01/68/651430168.db2.gz YWDCYUAFGSMSLB-UHFFFAOYSA-N 2 1 285.395 2.431 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)c1ccccc1 ZINC000880371862 651431214 /nfs/dbraw/zinc/43/12/14/651431214.db2.gz PABGNNLFTGGHCO-IAGOWNOFSA-N 2 1 276.424 2.310 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)c1ccccc1 ZINC000880371862 651431215 /nfs/dbraw/zinc/43/12/15/651431215.db2.gz PABGNNLFTGGHCO-IAGOWNOFSA-N 2 1 276.424 2.310 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)c1ccccc1 ZINC000880371862 651431216 /nfs/dbraw/zinc/43/12/16/651431216.db2.gz PABGNNLFTGGHCO-IAGOWNOFSA-N 2 1 276.424 2.310 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)c1ccccc1 ZINC000880371862 651431217 /nfs/dbraw/zinc/43/12/17/651431217.db2.gz PABGNNLFTGGHCO-IAGOWNOFSA-N 2 1 276.424 2.310 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cn[nH]c1 ZINC000880517224 651454225 /nfs/dbraw/zinc/45/42/25/651454225.db2.gz MKQWKQXYFWPEPW-UHFFFAOYSA-N 2 1 250.390 2.108 20 0 CEADMP CC1(C)C[C@@]1(C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000883259882 652416978 /nfs/dbraw/zinc/41/69/78/652416978.db2.gz BZZNIPYMENWGQW-HOCLYGCPSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H](CCO)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883347706 652437478 /nfs/dbraw/zinc/43/74/78/652437478.db2.gz XSODRAWNMPUJJS-WMLDXEAASA-N 2 1 289.423 2.154 20 0 CEADMP C1OCC12CCC([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000883379686 652449856 /nfs/dbraw/zinc/44/98/56/652449856.db2.gz KRLCRJWWMHMKFG-HUUCEWRRSA-N 2 1 264.413 2.162 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000131750677 652459422 /nfs/dbraw/zinc/45/94/22/652459422.db2.gz FXASPQRICUTLFY-IYXRBSQSSA-N 2 1 299.459 2.362 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883429969 652467156 /nfs/dbraw/zinc/46/71/56/652467156.db2.gz KKEGFDHIANZVQL-SYQHCUMBSA-N 2 1 252.402 2.064 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C(C)(C)O1 ZINC000883437222 652469748 /nfs/dbraw/zinc/46/97/48/652469748.db2.gz MXWCWWZAVBANJJ-IOASZLSFSA-N 2 1 266.429 2.393 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc2ccccc2c1 ZINC000883442908 652471692 /nfs/dbraw/zinc/47/16/92/652471692.db2.gz VVRDPFAFXCHMDQ-CVEARBPZSA-N 2 1 297.402 2.494 20 0 CEADMP C[N@@H+](CCCCCCC[NH3+])C1(CN)CCCCC1 ZINC000883454020 652475567 /nfs/dbraw/zinc/47/55/67/652475567.db2.gz MNTQHVWEONECMP-UHFFFAOYSA-N 2 1 255.450 2.489 20 0 CEADMP C[N@@H+](C[C@@H]1CC2(CO1)CCOCC2)C1(C[NH3+])CCCCC1 ZINC000883455158 652476195 /nfs/dbraw/zinc/47/61/95/652476195.db2.gz VJRLXZXNKRQECH-HNNXBMFYSA-N 2 1 296.455 2.166 20 0 CEADMP CCO[C@H](C[N@H+]1CC[NH2+]CCC12CCC2)C1CC1 ZINC000883460191 652477254 /nfs/dbraw/zinc/47/72/54/652477254.db2.gz RMFLRPGXBGLPNW-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP CO[C@H](C[N@H+]1CC[NH2+]CCC12CCC2)C1CCCC1 ZINC000883460270 652477503 /nfs/dbraw/zinc/47/75/03/652477503.db2.gz SRFCASVMBGQFLT-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000884188230 652745627 /nfs/dbraw/zinc/74/56/27/652745627.db2.gz BYCCLMOGYQAICO-QLFBSQMISA-N 2 1 297.487 2.233 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885923371 653069524 /nfs/dbraw/zinc/06/95/24/653069524.db2.gz YQIQWWVDEUNNKK-INIZCTEOSA-N 2 1 298.471 2.426 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Cl)cn1 ZINC000885926309 653070146 /nfs/dbraw/zinc/07/01/46/653070146.db2.gz AMLIZHIGCYTWJS-UHFFFAOYSA-N 2 1 264.760 2.420 20 0 CEADMP c1cc2c(cc[nH+]c2N2CC3(C2)CC[N@H+](CC2CC2)C3)[nH]1 ZINC001164768120 721280720 /nfs/dbraw/zinc/28/07/20/721280720.db2.gz KBCRLHSDYDDZPU-UHFFFAOYSA-N 2 1 282.391 2.485 20 0 CEADMP CC[NH+](CC)C1CCN(c2nc(NC3CC3)cc[nH+]2)CC1 ZINC001165052395 722000157 /nfs/dbraw/zinc/00/01/57/722000157.db2.gz RQAVWCMXCHTSAB-UHFFFAOYSA-N 2 1 289.427 2.362 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840849 805812792 /nfs/dbraw/zinc/81/27/92/805812792.db2.gz QKWBXRKQNUNFRV-ARFHVFGLSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001087840849 805812801 /nfs/dbraw/zinc/81/28/01/805812801.db2.gz QKWBXRKQNUNFRV-ARFHVFGLSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001087840849 805812810 /nfs/dbraw/zinc/81/28/10/805812810.db2.gz QKWBXRKQNUNFRV-ARFHVFGLSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+](C)CCCCC(=O)N1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001271676268 806018241 /nfs/dbraw/zinc/01/82/41/806018241.db2.gz MIAXJLYJUJWQBR-QGZVFWFLSA-N 2 1 295.471 2.053 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001088382213 806174710 /nfs/dbraw/zinc/17/47/10/806174710.db2.gz WSSCUNRAWCRDFT-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088413300 806194349 /nfs/dbraw/zinc/19/43/49/806194349.db2.gz CHWIGSQATZHOEM-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCC[N@@H+](C)CCO ZINC001168166179 806338613 /nfs/dbraw/zinc/33/86/13/806338613.db2.gz HTKSEZILANONDW-ZDUSSCGKSA-N 2 1 284.831 2.175 20 0 CEADMP CCCCCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001272087055 806489984 /nfs/dbraw/zinc/48/99/84/806489984.db2.gz KWLRSMBGUTVWNW-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP CCCCCC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272087055 806489987 /nfs/dbraw/zinc/48/99/87/806489987.db2.gz KWLRSMBGUTVWNW-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP CCCCCC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001272087055 806489991 /nfs/dbraw/zinc/48/99/91/806489991.db2.gz KWLRSMBGUTVWNW-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H]2c2cnccn2)CC1 ZINC001168324863 806654007 /nfs/dbraw/zinc/65/40/07/806654007.db2.gz YQRAHUOBTUGFSP-XUJLQICISA-N 2 1 274.412 2.486 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCO[C@H](c3ccncc3)C2)CC1 ZINC001168328144 806658452 /nfs/dbraw/zinc/65/84/52/806658452.db2.gz XEVOWTZFJMSRLB-JCYILVPMSA-N 2 1 289.423 2.328 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1CC[NH+](CC3CC3)CC1)C2 ZINC001168356854 806685401 /nfs/dbraw/zinc/68/54/01/806685401.db2.gz XQYXKGCHGBCUOF-BJWYYQGGSA-N 2 1 277.456 2.076 20 0 CEADMP COCc1cccc(C[NH2+]CC[C@H](C)[NH+](C)C)c1 ZINC000697869402 806718861 /nfs/dbraw/zinc/71/88/61/806718861.db2.gz GWBGJOHUGFTFBI-ZDUSSCGKSA-N 2 1 250.386 2.263 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697906395 806755067 /nfs/dbraw/zinc/75/50/67/806755067.db2.gz YTTOGFGKRFWUKV-GFCCVEGCSA-N 2 1 260.385 2.073 20 0 CEADMP C[C@@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)CCC[C@@H]1O ZINC001208184544 802378514 /nfs/dbraw/zinc/37/85/14/802378514.db2.gz NBURNGLFHYEMAO-CABCVRRESA-N 2 1 268.445 2.201 20 0 CEADMP [NH3+]CCCC[NH+](Cc1ccccn1)Cc1ccccn1 ZINC000167694852 802383957 /nfs/dbraw/zinc/38/39/57/802383957.db2.gz IFMPBJJPRVXELL-UHFFFAOYSA-N 2 1 270.380 2.218 20 0 CEADMP COC(=O)[C@@H](C)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001208717169 802403426 /nfs/dbraw/zinc/40/34/26/802403426.db2.gz FDBGHXIMXKTKBD-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP CCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001266322677 802437425 /nfs/dbraw/zinc/43/74/25/802437425.db2.gz LYHJBZOMUKXRFS-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001266322677 802437431 /nfs/dbraw/zinc/43/74/31/802437431.db2.gz LYHJBZOMUKXRFS-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001266322677 802437434 /nfs/dbraw/zinc/43/74/34/802437434.db2.gz LYHJBZOMUKXRFS-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP COCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209214135 802486390 /nfs/dbraw/zinc/48/63/90/802486390.db2.gz LTPIPCGOFKJHJW-ZWKOTPCHSA-N 2 1 288.435 2.477 20 0 CEADMP COCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209214135 802486395 /nfs/dbraw/zinc/48/63/95/802486395.db2.gz LTPIPCGOFKJHJW-ZWKOTPCHSA-N 2 1 288.435 2.477 20 0 CEADMP COCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209214135 802486398 /nfs/dbraw/zinc/48/63/98/802486398.db2.gz LTPIPCGOFKJHJW-ZWKOTPCHSA-N 2 1 288.435 2.477 20 0 CEADMP CC(C)=CC[N@@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001266359882 802487906 /nfs/dbraw/zinc/48/79/06/802487906.db2.gz INOMVGNTLCHLHM-UHFFFAOYSA-N 2 1 295.471 2.267 20 0 CEADMP C[N@H+]1CC[C@H](Nc2cc(N3CCCCC3)cc[nH+]2)C1 ZINC001167273053 802621308 /nfs/dbraw/zinc/62/13/08/802621308.db2.gz OJMXJAZSBPGGBZ-ZDUSSCGKSA-N 2 1 260.385 2.188 20 0 CEADMP C[N@@H+]1CC[C@H](Nc2c[nH+]c3cc(Br)ccn23)C1 ZINC001167278620 802625204 /nfs/dbraw/zinc/62/52/04/802625204.db2.gz OHNJBDNNARASPZ-JTQLQIEISA-N 2 1 295.184 2.213 20 0 CEADMP C[N@H+]1CC[C@H](Nc2c[nH+]c3cc(Br)ccn23)C1 ZINC001167278620 802625206 /nfs/dbraw/zinc/62/52/06/802625206.db2.gz OHNJBDNNARASPZ-JTQLQIEISA-N 2 1 295.184 2.213 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)C[C@H]1C[NH3+] ZINC000721440220 802650067 /nfs/dbraw/zinc/65/00/67/802650067.db2.gz BRKWAEGXZQNOMX-WISYIIOYSA-N 2 1 280.334 2.013 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)C[C@H]1C[NH3+] ZINC000721440220 802650070 /nfs/dbraw/zinc/65/00/70/802650070.db2.gz BRKWAEGXZQNOMX-WISYIIOYSA-N 2 1 280.334 2.013 20 0 CEADMP CC1=CC[C@H](CC[N@@H+]2CCO[C@H](C[NH3+])C2)C1(C)C ZINC001210399942 802679333 /nfs/dbraw/zinc/67/93/33/802679333.db2.gz NGXGMEFGOTTWCQ-ZIAGYGMSSA-N 2 1 252.402 2.028 20 0 CEADMP CC1=CC[C@H](CC[N@H+]2CCO[C@H](C[NH3+])C2)C1(C)C ZINC001210399942 802679335 /nfs/dbraw/zinc/67/93/35/802679335.db2.gz NGXGMEFGOTTWCQ-ZIAGYGMSSA-N 2 1 252.402 2.028 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC1=CCCCC1 ZINC001127066597 807002966 /nfs/dbraw/zinc/00/29/66/807002966.db2.gz QLTZWLRAKRZEPN-MRXNPFEDSA-N 2 1 293.455 2.065 20 0 CEADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@@H]2CCSC2)cc1 ZINC000398302970 802821629 /nfs/dbraw/zinc/82/16/29/802821629.db2.gz SGKOLKWHRPRPJR-WCVJEAGWSA-N 2 1 274.433 2.212 20 0 CEADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@@H]2CCSC2)cc1 ZINC000398302970 802821631 /nfs/dbraw/zinc/82/16/31/802821631.db2.gz SGKOLKWHRPRPJR-WCVJEAGWSA-N 2 1 274.433 2.212 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)C[C@H]1C[NH3+] ZINC000721472382 802845143 /nfs/dbraw/zinc/84/51/43/802845143.db2.gz DBMIQLMDCIRFKJ-FHUSYTEZSA-N 2 1 294.361 2.402 20 0 CEADMP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001266695054 802847018 /nfs/dbraw/zinc/84/70/18/802847018.db2.gz JHPSVXDJENGYTP-GKLROCHGSA-N 2 1 293.455 2.064 20 0 CEADMP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108802444 811767423 /nfs/dbraw/zinc/76/74/23/811767423.db2.gz AWLSWSCQIYWDMJ-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CC/C=C\CC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203203860 802883623 /nfs/dbraw/zinc/88/36/23/802883623.db2.gz SXONSVADNMNQIO-SREVYHEPSA-N 2 1 295.471 2.265 20 0 CEADMP C([NH2+][C@@H]1CCCC2(CC2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000723567852 802890168 /nfs/dbraw/zinc/89/01/68/802890168.db2.gz FZSYZKYEOVNRNK-RBSFLKMASA-N 2 1 264.413 2.162 20 0 CEADMP C([NH2+][C@@H]1CCCC2(CC2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000723567852 802890172 /nfs/dbraw/zinc/89/01/72/802890172.db2.gz FZSYZKYEOVNRNK-RBSFLKMASA-N 2 1 264.413 2.162 20 0 CEADMP CC(C)CC[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167475764 802895434 /nfs/dbraw/zinc/89/54/34/802895434.db2.gz LQNSIMHBOMGZNP-UHFFFAOYSA-N 2 1 294.443 2.149 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000723616838 802905259 /nfs/dbraw/zinc/90/52/59/802905259.db2.gz XELULQHXJCFQJW-ARFHVFGLSA-N 2 1 264.413 2.043 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000723687249 802924654 /nfs/dbraw/zinc/92/46/54/802924654.db2.gz SFLPSAYDSWHIEC-CQSZACIVSA-N 2 1 270.380 2.043 20 0 CEADMP CCCC[NH2+]C1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001266916686 802993873 /nfs/dbraw/zinc/99/38/73/802993873.db2.gz BGFLSXLHSKOBKO-UHFFFAOYSA-N 2 1 283.460 2.144 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCOC1 ZINC000724012801 803002496 /nfs/dbraw/zinc/00/24/96/803002496.db2.gz QADVHZXDEBTQOD-JONQDZQNSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCCOC1 ZINC000724012801 803002498 /nfs/dbraw/zinc/00/24/98/803002498.db2.gz QADVHZXDEBTQOD-JONQDZQNSA-N 2 1 266.429 2.408 20 0 CEADMP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267013022 803057997 /nfs/dbraw/zinc/05/79/97/803057997.db2.gz PZGQTBSNKSNMMU-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](C)CC)C1 ZINC001216506369 803178834 /nfs/dbraw/zinc/17/88/34/803178834.db2.gz HQJDXABFXWNVFZ-BZUAXINKSA-N 2 1 297.487 2.201 20 0 CEADMP Cc1[nH]c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)[nH+]1 ZINC000724789586 803295482 /nfs/dbraw/zinc/29/54/82/803295482.db2.gz CQXKCTPHWRKGCS-PBWFPOADSA-N 2 1 262.401 2.084 20 0 CEADMP Cc1[nH]c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)[nH+]1 ZINC000724789586 803295489 /nfs/dbraw/zinc/29/54/89/803295489.db2.gz CQXKCTPHWRKGCS-PBWFPOADSA-N 2 1 262.401 2.084 20 0 CEADMP CC(C)[C@H]1C[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)CC[NH2+]1 ZINC001246800210 814260986 /nfs/dbraw/zinc/26/09/86/814260986.db2.gz WLFZELHJKLNAJX-JKSUJKDBSA-N 2 1 267.461 2.085 20 0 CEADMP OC1CC2(C[C@@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000724982483 803378617 /nfs/dbraw/zinc/37/86/17/803378617.db2.gz PBFCFCVMVLOMAE-ADKAHSJRSA-N 2 1 286.419 2.154 20 0 CEADMP OC1CC2(C[C@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000724982484 803379820 /nfs/dbraw/zinc/37/98/20/803379820.db2.gz PBFCFCVMVLOMAE-LXPRWKDFSA-N 2 1 286.419 2.154 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CCO)C1CCCC1 ZINC000725095387 803426349 /nfs/dbraw/zinc/42/63/49/803426349.db2.gz LOLRIRCZDXXOKY-GJZGRUSLSA-N 2 1 254.418 2.002 20 0 CEADMP CN(CC[NH2+]CC1CC1)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001267394271 803457880 /nfs/dbraw/zinc/45/78/80/803457880.db2.gz GIRPXPKNAAGFDX-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC(C[N@@H+]2CC[C@H](N3CCCCC3)[C@@H](F)C2)CC1 ZINC001207403604 803552271 /nfs/dbraw/zinc/55/22/71/803552271.db2.gz WORRRIAAZJRCKG-IRXDYDNUSA-N 2 1 297.462 2.227 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H](N3CCCCC3)[C@@H](F)C2)CC1 ZINC001207403604 803552274 /nfs/dbraw/zinc/55/22/74/803552274.db2.gz WORRRIAAZJRCKG-IRXDYDNUSA-N 2 1 297.462 2.227 20 0 CEADMP C[C@H]1C[N@@H+](C2CCN(Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000708856515 803570424 /nfs/dbraw/zinc/57/04/24/803570424.db2.gz DVVPSXLSMBFJQJ-DOTOQJQBSA-N 2 1 287.451 2.178 20 0 CEADMP C[C@H]1C[N@H+](C2CCN(Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000708856515 803570426 /nfs/dbraw/zinc/57/04/26/803570426.db2.gz DVVPSXLSMBFJQJ-DOTOQJQBSA-N 2 1 287.451 2.178 20 0 CEADMP CCCCCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267617290 803623531 /nfs/dbraw/zinc/62/35/31/803623531.db2.gz MGVXPTUUOOYCEN-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C[C@@H]1C(F)(F)F ZINC000715394479 814952221 /nfs/dbraw/zinc/95/22/21/814952221.db2.gz NZVYTBOHPSSGKX-MROQNXINSA-N 2 1 292.345 2.013 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C[C@@H]1C(F)(F)F ZINC000715394479 814952225 /nfs/dbraw/zinc/95/22/25/814952225.db2.gz NZVYTBOHPSSGKX-MROQNXINSA-N 2 1 292.345 2.013 20 0 CEADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC1=CCCCC1 ZINC001267800497 803741829 /nfs/dbraw/zinc/74/18/29/803741829.db2.gz OXKOBLWXMDRNTQ-HZPDHXFCSA-N 2 1 293.455 2.065 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1F ZINC000125534393 804095231 /nfs/dbraw/zinc/09/52/31/804095231.db2.gz HICHUIIHWHLTCQ-LLVKDONJSA-N 2 1 252.333 2.005 20 0 CEADMP CCn1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)c2ccccc21 ZINC000125557818 804111171 /nfs/dbraw/zinc/11/11/71/804111171.db2.gz MTQNFKGJEALFEJ-ZDUSSCGKSA-N 2 1 272.396 2.227 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027603951 804149291 /nfs/dbraw/zinc/14/92/91/804149291.db2.gz MLCMXYRZRGDSRI-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167835622 804428357 /nfs/dbraw/zinc/42/83/57/804428357.db2.gz RZEJRPBAMGZSKD-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001268180124 804528886 /nfs/dbraw/zinc/52/88/86/804528886.db2.gz LYKNGMDQQBKKPW-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP COC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000721743101 804715294 /nfs/dbraw/zinc/71/52/94/804715294.db2.gz RKJZDDVCXDZLQU-FFHGMXDLSA-N 2 1 254.418 2.120 20 0 CEADMP OCC[C@@H]1CC12CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168374264 806981460 /nfs/dbraw/zinc/98/14/60/806981460.db2.gz YDHNBLSVXUYCTN-MRXNPFEDSA-N 2 1 292.467 2.345 20 0 CEADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917630 804772876 /nfs/dbraw/zinc/77/28/76/804772876.db2.gz NWENRLIFKRDADI-AGGWBTHJSA-N 2 1 257.381 2.130 20 0 CEADMP c1cc(N2CC[C@]3(C2)CCC[NH2+]C3)[nH+]c2c1CCC2 ZINC000710029014 804909454 /nfs/dbraw/zinc/90/94/54/804909454.db2.gz CEWOIBQIRQXACX-MRXNPFEDSA-N 2 1 257.381 2.150 20 0 CEADMP CN(CCC[NH2+]CC1=CCCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001268784356 804971761 /nfs/dbraw/zinc/97/17/61/804971761.db2.gz TZDLIJADVIEKSL-MRXNPFEDSA-N 2 1 293.455 2.019 20 0 CEADMP c1csc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)n1 ZINC000710408892 805001275 /nfs/dbraw/zinc/00/12/75/805001275.db2.gz SINYNQUMRUEEIO-LBPRGKRZSA-N 2 1 251.399 2.280 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000165317668 807053808 /nfs/dbraw/zinc/05/38/08/807053808.db2.gz HWXXEWBNFPHRLG-HUUCEWRRSA-N 2 1 292.423 2.381 20 0 CEADMP CCC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001269269184 805106240 /nfs/dbraw/zinc/10/62/40/805106240.db2.gz VGQVXLWNKOOMCL-WAVCKPEOSA-N 2 1 295.471 2.217 20 0 CEADMP CC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001269297213 805117759 /nfs/dbraw/zinc/11/77/59/805117759.db2.gz VSMSNZDCTGXICO-PTZVLDCSSA-N 2 1 295.471 2.216 20 0 CEADMP CC/C=C\CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001269297213 805117762 /nfs/dbraw/zinc/11/77/62/805117762.db2.gz VSMSNZDCTGXICO-PTZVLDCSSA-N 2 1 295.471 2.216 20 0 CEADMP CC/C=C\CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001269297213 805117765 /nfs/dbraw/zinc/11/77/65/805117765.db2.gz VSMSNZDCTGXICO-PTZVLDCSSA-N 2 1 295.471 2.216 20 0 CEADMP CCCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001269455418 805170159 /nfs/dbraw/zinc/17/01/59/805170159.db2.gz VPTNPYZIEPIOIP-GJZGRUSLSA-N 2 1 283.460 2.145 20 0 CEADMP C[C@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958723 805293042 /nfs/dbraw/zinc/29/30/42/805293042.db2.gz JGRUAFCRWRPHKJ-QOHDQGNBSA-N 2 1 278.440 2.406 20 0 CEADMP Cc1ncn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1CC[NH3+] ZINC001167964904 805458718 /nfs/dbraw/zinc/45/87/18/805458718.db2.gz ZWAJZVWUVJKIOB-XYPWUTKMSA-N 2 1 288.439 2.271 20 0 CEADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001089038449 807317711 /nfs/dbraw/zinc/31/77/11/807317711.db2.gz WMPVBBURIIMXQI-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001089038449 807317720 /nfs/dbraw/zinc/31/77/20/807317720.db2.gz WMPVBBURIIMXQI-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000716302609 815111571 /nfs/dbraw/zinc/11/15/71/815111571.db2.gz PUWKTSDIKWHALA-GDBMZVCRSA-N 2 1 264.413 2.021 20 0 CEADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000716320931 815114298 /nfs/dbraw/zinc/11/42/98/815114298.db2.gz UIMARXFDJIAMBJ-BZUAXINKSA-N 2 1 278.440 2.410 20 0 CEADMP CCCCCC[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272475399 807518519 /nfs/dbraw/zinc/51/85/19/807518519.db2.gz DNLOSZQWSTYFLE-KRWDZBQOSA-N 2 1 295.471 2.053 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)[C@@H]1CCC[NH2+]1 ZINC000716600168 815131610 /nfs/dbraw/zinc/13/16/10/815131610.db2.gz GMTLYUNAYSPTER-MJBXVCDLSA-N 2 1 252.402 2.066 20 0 CEADMP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001031044841 807617569 /nfs/dbraw/zinc/61/75/69/807617569.db2.gz FNINNDKDCGPZHI-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC001205101664 807635207 /nfs/dbraw/zinc/63/52/07/807635207.db2.gz IPEBADNIHIILDV-LBPRGKRZSA-N 2 1 276.409 2.451 20 0 CEADMP CO[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000699281743 807670747 /nfs/dbraw/zinc/67/07/47/807670747.db2.gz JVRQINCOIRAXOK-LUGNKYPNSA-N 2 1 252.402 2.016 20 0 CEADMP CC[C@@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716729542 815144519 /nfs/dbraw/zinc/14/45/19/815144519.db2.gz UGUOEPGJRZSBIZ-XWTMOSNGSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H](CCN1CC[NH2+]C[C@@]12CC[NH2+]C2)CC(C)(C)C ZINC001234982823 807756374 /nfs/dbraw/zinc/75/63/74/807756374.db2.gz WENQQPMURUOPRU-ZBFHGGJFSA-N 2 1 267.461 2.086 20 0 CEADMP [NH3+]CCCC[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001235959500 807899528 /nfs/dbraw/zinc/89/95/28/807899528.db2.gz VXAQFDVSCUIUDU-MRXNPFEDSA-N 2 1 262.397 2.407 20 0 CEADMP CC[NH+](CC)C[C@H](C)NCc1ncc(C[NH+](C)C)s1 ZINC000352751356 808024914 /nfs/dbraw/zinc/02/49/14/808024914.db2.gz ULKDILFUTGSVSN-LBPRGKRZSA-N 2 1 284.473 2.025 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)CC1 ZINC001119935752 815173773 /nfs/dbraw/zinc/17/37/73/815173773.db2.gz KMNQFRODARXOMY-AWEZNQCLSA-N 2 1 262.401 2.279 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]C[C@H](C)CC ZINC001127674490 808184666 /nfs/dbraw/zinc/18/46/66/808184666.db2.gz IOBGANVRIGBVHJ-ZIAGYGMSSA-N 2 1 294.443 2.149 20 0 CEADMP Cc1ccc(O)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001238099485 808304744 /nfs/dbraw/zinc/30/47/44/808304744.db2.gz QMSLKIHJXATMIN-UHFFFAOYSA-N 2 1 262.397 2.474 20 0 CEADMP CC[C@H]1COC(C)(C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC001120057994 815193663 /nfs/dbraw/zinc/19/36/63/815193663.db2.gz MJGGVCRWDYZPCN-AWEZNQCLSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2C1 ZINC001120071835 815195530 /nfs/dbraw/zinc/19/55/30/815195530.db2.gz NWHAAXQRIDRRFB-KLHDSHLOSA-N 2 1 266.429 2.075 20 0 CEADMP C[C@@]1(C[NH2+]CC2(O)CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000691302447 808428844 /nfs/dbraw/zinc/42/88/44/808428844.db2.gz CLWHNAHMRZDLJW-KRWDZBQOSA-N 2 1 288.435 2.403 20 0 CEADMP CCCOc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205212350 808574956 /nfs/dbraw/zinc/57/49/56/808574956.db2.gz ZGQHJZRXMAWCQA-QGZVFWFLSA-N 2 1 292.423 2.151 20 0 CEADMP C[C@H](C[NH3+])CN(C)[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171733022 815220533 /nfs/dbraw/zinc/22/05/33/815220533.db2.gz HHQINLOIWYHYSL-VYDXJSESSA-N 2 1 275.440 2.176 20 0 CEADMP Cn1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c(C2CCCC2)n1 ZINC000921630034 808645305 /nfs/dbraw/zinc/64/53/05/808645305.db2.gz FKTOFCGQZRIZSI-HNNXBMFYSA-N 2 1 299.422 2.379 20 0 CEADMP C[N@H+]1CCc2ccc(-c3cncc(C[NH3+])c3)cc2C1 ZINC001239808543 808835302 /nfs/dbraw/zinc/83/53/02/808835302.db2.gz CVRJMTRRCBQTRK-UHFFFAOYSA-N 2 1 253.349 2.195 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3Cc4cccc(F)c4C3)C[C@@H]2C1 ZINC001171812541 815242725 /nfs/dbraw/zinc/24/27/25/815242725.db2.gz QYSBFIYBKZLORW-QLFBSQMISA-N 2 1 274.383 2.176 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3Cc4cccc(F)c4C3)C[C@@H]2C1 ZINC001171812541 815242726 /nfs/dbraw/zinc/24/27/26/815242726.db2.gz QYSBFIYBKZLORW-QLFBSQMISA-N 2 1 274.383 2.176 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3Cc4cccc(F)c4C3)C[C@@H]2C1 ZINC001171812541 815242728 /nfs/dbraw/zinc/24/27/28/815242728.db2.gz QYSBFIYBKZLORW-QLFBSQMISA-N 2 1 274.383 2.176 20 0 CEADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171865911 815246817 /nfs/dbraw/zinc/24/68/17/815246817.db2.gz GXUQZAFSMWFFRD-OAHLLOKOSA-N 2 1 289.423 2.008 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC001171910351 815249974 /nfs/dbraw/zinc/24/99/74/815249974.db2.gz KSGGEAPYGXUVLN-WLYUNCDWSA-N 2 1 296.455 2.428 20 0 CEADMP Cc1cnc(C[NH+]2CCC(C[NH3+])CC2)c(Br)c1 ZINC001205047512 809112531 /nfs/dbraw/zinc/11/25/31/809112531.db2.gz XJBGBYHVRHGRIB-UHFFFAOYSA-N 2 1 298.228 2.323 20 0 CEADMP CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033098429 809175382 /nfs/dbraw/zinc/17/53/82/809175382.db2.gz HONXYTRYCDOZPR-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033098429 809175386 /nfs/dbraw/zinc/17/53/86/809175386.db2.gz HONXYTRYCDOZPR-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033098429 809175389 /nfs/dbraw/zinc/17/53/89/809175389.db2.gz HONXYTRYCDOZPR-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2cn3c(cccc3Cl)n2)CC1 ZINC001205053885 809262944 /nfs/dbraw/zinc/26/29/44/809262944.db2.gz SGBGCWRPOXDIEW-UHFFFAOYSA-N 2 1 278.787 2.158 20 0 CEADMP N[C@@H]1CC[N@@H+](CCCc2ccccc2)CC[C@H]1F ZINC001206156797 815280584 /nfs/dbraw/zinc/28/05/84/815280584.db2.gz SVLYELFBLSCNJI-HUUCEWRRSA-N 2 1 250.361 2.380 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](CCCc2ccccc2)CC[C@H]1F ZINC001206156797 815280588 /nfs/dbraw/zinc/28/05/88/815280588.db2.gz SVLYELFBLSCNJI-HUUCEWRRSA-N 2 1 250.361 2.380 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](CCCc2ccccc2)CC[C@H]1F ZINC001206156797 815280592 /nfs/dbraw/zinc/28/05/92/815280592.db2.gz SVLYELFBLSCNJI-HUUCEWRRSA-N 2 1 250.361 2.380 20 0 CEADMP N[C@H]1CC[N@@H+](CCCc2ccccc2)CC[C@H]1F ZINC001206156795 815281296 /nfs/dbraw/zinc/28/12/96/815281296.db2.gz SVLYELFBLSCNJI-CABCVRRESA-N 2 1 250.361 2.380 20 0 CEADMP [NH3+][C@H]1CC[N@H+](CCCc2ccccc2)CC[C@H]1F ZINC001206156795 815281300 /nfs/dbraw/zinc/28/13/00/815281300.db2.gz SVLYELFBLSCNJI-CABCVRRESA-N 2 1 250.361 2.380 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](CCCc2ccccc2)CC[C@H]1F ZINC001206156795 815281303 /nfs/dbraw/zinc/28/13/03/815281303.db2.gz SVLYELFBLSCNJI-CABCVRRESA-N 2 1 250.361 2.380 20 0 CEADMP COc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccn1 ZINC001172098209 815281904 /nfs/dbraw/zinc/28/19/04/815281904.db2.gz BVVJFGVLGHNBRC-QKDCVEJESA-N 2 1 275.396 2.195 20 0 CEADMP [NH3+][C@H]1CC[N@H+](CCc2cc(F)cc(F)c2)CC[C@@H]1F ZINC001206156343 815282619 /nfs/dbraw/zinc/28/26/19/815282619.db2.gz QGFREAQKCXYGJM-KBPBESRZSA-N 2 1 272.314 2.269 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](CCc2cc(F)cc(F)c2)CC[C@@H]1F ZINC001206156343 815282622 /nfs/dbraw/zinc/28/26/22/815282622.db2.gz QGFREAQKCXYGJM-KBPBESRZSA-N 2 1 272.314 2.269 20 0 CEADMP COC(=O)C[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172127966 815287635 /nfs/dbraw/zinc/28/76/35/815287635.db2.gz MIDHRTBEFWSQRK-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)C[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172127966 815287637 /nfs/dbraw/zinc/28/76/37/815287637.db2.gz MIDHRTBEFWSQRK-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)C[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172127966 815287639 /nfs/dbraw/zinc/28/76/39/815287639.db2.gz MIDHRTBEFWSQRK-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)C[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172127966 815287640 /nfs/dbraw/zinc/28/76/40/815287640.db2.gz MIDHRTBEFWSQRK-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP CCC[NH+]1CCC(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172100226 815283789 /nfs/dbraw/zinc/28/37/89/815283789.db2.gz BKIKEYFTWHRLRA-BJWYYQGGSA-N 3 1 279.472 2.466 20 0 CEADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000701035737 809381795 /nfs/dbraw/zinc/38/17/95/809381795.db2.gz QOIPLNRTXXSIHC-ZUXCUYRJSA-N 2 1 252.402 2.013 20 0 CEADMP CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033935227 809458231 /nfs/dbraw/zinc/45/82/31/809458231.db2.gz FDOFWYDEBXGHJY-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033935227 809458234 /nfs/dbraw/zinc/45/82/34/809458234.db2.gz FDOFWYDEBXGHJY-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033935227 809458236 /nfs/dbraw/zinc/45/82/36/809458236.db2.gz FDOFWYDEBXGHJY-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)([NH3+])CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702071648 809493116 /nfs/dbraw/zinc/49/31/16/809493116.db2.gz RRZUUECWAVHMOO-FUHWJXTLSA-N 2 1 287.451 2.178 20 0 CEADMP COc1ncccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103500 815293326 /nfs/dbraw/zinc/29/33/26/815293326.db2.gz VNKHGGWWVBZDSF-QKDCVEJESA-N 2 1 275.396 2.195 20 0 CEADMP COc1ncccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103500 815293330 /nfs/dbraw/zinc/29/33/30/815293330.db2.gz VNKHGGWWVBZDSF-QKDCVEJESA-N 2 1 275.396 2.195 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cncnc1 ZINC001172104539 815293372 /nfs/dbraw/zinc/29/33/72/815293372.db2.gz CMFGRGNTBVIKSY-NGFQHRJXSA-N 2 1 260.385 2.143 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOc1cccnc1)C2 ZINC001172107458 815296089 /nfs/dbraw/zinc/29/60/89/815296089.db2.gz XUPOUYNABJWFEO-QKDCVEJESA-N 2 1 275.396 2.065 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC[NH+](C3CC3)CC1)C2 ZINC001172106940 815296897 /nfs/dbraw/zinc/29/68/97/815296897.db2.gz QVAORODMOVMXAS-ACHSLPGTSA-N 2 1 277.456 2.218 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C13CCC(O)(CC1)CC3)C2 ZINC001172108871 815298215 /nfs/dbraw/zinc/29/82/15/815298215.db2.gz HDLXUVZLAVQLCX-FWTFNCGHSA-N 2 1 278.440 2.429 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C13CCC(O)(CC1)CC3)C2 ZINC001172108871 815298218 /nfs/dbraw/zinc/29/82/18/815298218.db2.gz HDLXUVZLAVQLCX-FWTFNCGHSA-N 2 1 278.440 2.429 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)c1cnccn1)C2 ZINC001172107986 815298546 /nfs/dbraw/zinc/29/85/46/815298546.db2.gz NDTHCGVIBLNIMF-QKDCVEJESA-N 2 1 288.439 2.359 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC)C1 ZINC001034238254 809561426 /nfs/dbraw/zinc/56/14/26/809561426.db2.gz BNJGQDZSFXMOPP-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCC)C1 ZINC001034238254 809561429 /nfs/dbraw/zinc/56/14/29/809561429.db2.gz BNJGQDZSFXMOPP-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC)C1 ZINC001034238254 809561433 /nfs/dbraw/zinc/56/14/33/809561433.db2.gz BNJGQDZSFXMOPP-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc(Cl)cc(N)[nH+]1 ZINC001162452083 809604589 /nfs/dbraw/zinc/60/45/89/809604589.db2.gz AMCDRRWOEOMVKW-NXEZZACHSA-N 2 1 268.792 2.365 20 0 CEADMP CCCc1cc(C[NH3+])nn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172117499 815304845 /nfs/dbraw/zinc/30/48/45/815304845.db2.gz MADNGMHXFJALKK-MIFYACCESA-N 2 1 276.428 2.482 20 0 CEADMP COC(=O)C1(C)CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001168755406 809656295 /nfs/dbraw/zinc/65/62/95/809656295.db2.gz RFGLJWZKFSONOD-UQPPLGOBSA-N 2 1 296.455 2.430 20 0 CEADMP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001034672402 809657517 /nfs/dbraw/zinc/65/75/17/809657517.db2.gz MOTKOGBFISADIN-JYJNAYRXSA-N 2 1 295.471 2.144 20 0 CEADMP CCc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)s1 ZINC000703568404 809668291 /nfs/dbraw/zinc/66/82/91/809668291.db2.gz QLZCOYVLDQIAEI-SMDDNHRTSA-N 2 1 250.411 2.352 20 0 CEADMP CCc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)s1 ZINC000703568404 809668295 /nfs/dbraw/zinc/66/82/95/809668295.db2.gz QLZCOYVLDQIAEI-SMDDNHRTSA-N 2 1 250.411 2.352 20 0 CEADMP CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703884826 809702057 /nfs/dbraw/zinc/70/20/57/809702057.db2.gz LCCWOJOOAJHVGE-BMRXWSCTSA-N 2 1 266.429 2.406 20 0 CEADMP CCOC(=O)C1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172119681 815310981 /nfs/dbraw/zinc/31/09/81/815310981.db2.gz YWLGKRUYVZULPC-ZSHCYNCHSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)C1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172119681 815310989 /nfs/dbraw/zinc/31/09/89/815310989.db2.gz YWLGKRUYVZULPC-ZSHCYNCHSA-N 2 1 294.439 2.277 20 0 CEADMP CC[C@]1(C)COCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000707266047 809895265 /nfs/dbraw/zinc/89/52/65/809895265.db2.gz KEKFOSZHPJANCO-QGZVFWFLSA-N 2 1 274.408 2.333 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2CCC[C@H](C[NH3+])C2)C(C)(C)O1 ZINC000709702791 809954161 /nfs/dbraw/zinc/95/41/61/809954161.db2.gz PJYJXLPEUTWYDU-OLZOCXBDSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)CCO1 ZINC000923298513 810084693 /nfs/dbraw/zinc/08/46/93/810084693.db2.gz UYTBAQVDASAJKR-OCCSQVGLSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)CCO1 ZINC000923298513 810084696 /nfs/dbraw/zinc/08/46/96/810084696.db2.gz UYTBAQVDASAJKR-OCCSQVGLSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@H](O)CC1CCCC1)CC[NH2+]CC2 ZINC000923383898 810089947 /nfs/dbraw/zinc/08/99/47/810089947.db2.gz OBYATLVXXJFQQE-GDBMZVCRSA-N 2 1 280.456 2.392 20 0 CEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccn3C3CC3)[C@@H]2C1 ZINC001204087262 815353069 /nfs/dbraw/zinc/35/30/69/815353069.db2.gz AABBSQXHTLAFQG-MAZHCROVSA-N 2 1 259.397 2.253 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001172256487 815359962 /nfs/dbraw/zinc/35/99/62/815359962.db2.gz YRLSVTYZXKLQPW-GASCZTMLSA-N 2 1 266.429 2.075 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001172256487 815359968 /nfs/dbraw/zinc/35/99/68/815359968.db2.gz YRLSVTYZXKLQPW-GASCZTMLSA-N 2 1 266.429 2.075 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001172256417 815361110 /nfs/dbraw/zinc/36/11/10/815361110.db2.gz VVEAIIRKJCFBDS-AWEZNQCLSA-N 2 1 288.382 2.218 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001172256417 815361117 /nfs/dbraw/zinc/36/11/17/815361117.db2.gz VVEAIIRKJCFBDS-AWEZNQCLSA-N 2 1 288.382 2.218 20 0 CEADMP c1cc(N2CC[NH2+]CC2)nc(NCCC2=CCCCC2)[nH+]1 ZINC001168768630 810681833 /nfs/dbraw/zinc/68/18/33/810681833.db2.gz DACYSQWRPNVDPH-UHFFFAOYSA-N 2 1 287.411 2.189 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC001258907513 810687350 /nfs/dbraw/zinc/68/73/50/810687350.db2.gz JYEBDILJXNPYBV-AWEZNQCLSA-N 2 1 266.433 2.362 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ncccn1 ZINC001258907927 810697555 /nfs/dbraw/zinc/69/75/55/810697555.db2.gz OKMZPCHRAQZTGY-CQSZACIVSA-N 2 1 264.417 2.419 20 0 CEADMP CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085255290 810706960 /nfs/dbraw/zinc/70/69/60/810706960.db2.gz XEOOLJSTECICEE-BZUAXINKSA-N 2 1 295.471 2.144 20 0 CEADMP N[C@@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)CC[C@H]1F ZINC001206164015 815397013 /nfs/dbraw/zinc/39/70/13/815397013.db2.gz IQWGYJXTJPTEQY-ZIAGYGMSSA-N 2 1 261.344 2.429 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc3[nH]ccc32)CC[C@H]1F ZINC001206164015 815397018 /nfs/dbraw/zinc/39/70/18/815397018.db2.gz IQWGYJXTJPTEQY-ZIAGYGMSSA-N 2 1 261.344 2.429 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)CC[C@H]1F ZINC001206164015 815397025 /nfs/dbraw/zinc/39/70/25/815397025.db2.gz IQWGYJXTJPTEQY-ZIAGYGMSSA-N 2 1 261.344 2.429 20 0 CEADMP Cc1nc(N[C@H]2CCC[C@H]([NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC001154977515 810872761 /nfs/dbraw/zinc/87/27/61/810872761.db2.gz NYEFHQPIXFDVMS-STQMWFEESA-N 2 1 275.400 2.067 20 0 CEADMP CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038783900 810914293 /nfs/dbraw/zinc/91/42/93/810914293.db2.gz ZRLSAIFQLBKXSZ-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001038783900 810914304 /nfs/dbraw/zinc/91/43/04/810914304.db2.gz ZRLSAIFQLBKXSZ-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001038783900 810914309 /nfs/dbraw/zinc/91/43/09/810914309.db2.gz ZRLSAIFQLBKXSZ-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085856330 810947359 /nfs/dbraw/zinc/94/73/59/810947359.db2.gz WRWLAVDVNXYTKV-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086175332 811052443 /nfs/dbraw/zinc/05/24/43/811052443.db2.gz RKPZRTXXITZWNY-HRCADAONSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(C)C)C1 ZINC001086382445 811121894 /nfs/dbraw/zinc/12/18/94/811121894.db2.gz IGEQFVUYTVEKQE-BZUAXINKSA-N 2 1 295.471 2.001 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCCO1 ZINC000379706022 811161424 /nfs/dbraw/zinc/16/14/24/811161424.db2.gz UVHBXCFTEXSAOL-INIZCTEOSA-N 2 1 274.408 2.333 20 0 CEADMP C[C@@H](CCNC1=[NH+]CCCN1C)[N@@H+](C)Cc1ccccc1 ZINC000379716478 811170079 /nfs/dbraw/zinc/17/00/79/811170079.db2.gz LFGWWYOOWZFBFD-HNNXBMFYSA-N 2 1 288.439 2.178 20 0 CEADMP CC[C@@H](CC(C)C)[N@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001172399934 815427073 /nfs/dbraw/zinc/42/70/73/815427073.db2.gz TUSKQVFMJYVTAT-HRCADAONSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H](CC(C)C)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001172399934 815427077 /nfs/dbraw/zinc/42/70/77/815427077.db2.gz TUSKQVFMJYVTAT-HRCADAONSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H](CC(C)C)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001172399934 815427079 /nfs/dbraw/zinc/42/70/79/815427079.db2.gz TUSKQVFMJYVTAT-HRCADAONSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H](CC(C)C)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001172399934 815427081 /nfs/dbraw/zinc/42/70/81/815427081.db2.gz TUSKQVFMJYVTAT-HRCADAONSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H](CC(C)C)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001172399934 815427086 /nfs/dbraw/zinc/42/70/86/815427086.db2.gz TUSKQVFMJYVTAT-HRCADAONSA-N 2 1 268.445 2.464 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCc2ccsc2[C@@H]1C ZINC000712302370 811182313 /nfs/dbraw/zinc/18/23/13/811182313.db2.gz XODBQWMRJGQMCM-JSGCOSHPSA-N 2 1 282.453 2.368 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c(F)cncc2F)CCC[C@@H]1C[NH3+] ZINC001205992013 811236481 /nfs/dbraw/zinc/23/64/81/811236481.db2.gz CVARLRXGLROJGI-WDEREUQCSA-N 2 1 269.339 2.167 20 0 CEADMP CC(C)COCC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172484497 815434572 /nfs/dbraw/zinc/43/45/72/815434572.db2.gz QOSGTVMLLGJLQA-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP [NH3+]Cc1cccc(-c2nnn(-c3cc[nH+]c(C4CC4)c3)n2)c1 ZINC001168887092 811290972 /nfs/dbraw/zinc/29/09/72/811290972.db2.gz BDYMYSGFARLDQM-UHFFFAOYSA-N 2 1 292.346 2.060 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(C)CCOCC1)C2 ZINC001169098185 811368880 /nfs/dbraw/zinc/36/88/80/811368880.db2.gz GMINVMZHWTXBFB-BTTYYORXSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccncc3)CC1)C2 ZINC001169100023 811374136 /nfs/dbraw/zinc/37/41/36/811374136.db2.gz ZLRBVZJMKOYPIK-QKDCVEJESA-N 2 1 257.381 2.286 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccncc3)CC1)C2 ZINC001169100023 811374150 /nfs/dbraw/zinc/37/41/50/811374150.db2.gz ZLRBVZJMKOYPIK-QKDCVEJESA-N 2 1 257.381 2.286 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC001169079143 811377147 /nfs/dbraw/zinc/37/71/47/811377147.db2.gz JCRBXWFYNLZYOT-BJWYYQGGSA-N 2 1 256.393 2.369 20 0 CEADMP COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1O ZINC001169089301 811380343 /nfs/dbraw/zinc/38/03/43/811380343.db2.gz AYNZIGULLLUFIF-ZSOGYDGISA-N 2 1 276.380 2.116 20 0 CEADMP COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1O ZINC001169089301 811380353 /nfs/dbraw/zinc/38/03/53/811380353.db2.gz AYNZIGULLLUFIF-ZSOGYDGISA-N 2 1 276.380 2.116 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CCOC(C)C)C[C@@H]2C1 ZINC001172455127 815443267 /nfs/dbraw/zinc/44/32/67/815443267.db2.gz QGDPWPLUPCEVMO-HRCADAONSA-N 2 1 268.445 2.464 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CCOC(C)C)C[C@@H]2C1 ZINC001172455127 815443269 /nfs/dbraw/zinc/44/32/69/815443269.db2.gz QGDPWPLUPCEVMO-HRCADAONSA-N 2 1 268.445 2.464 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CCOC(C)C)C[C@@H]2C1 ZINC001172455127 815443270 /nfs/dbraw/zinc/44/32/70/815443270.db2.gz QGDPWPLUPCEVMO-HRCADAONSA-N 2 1 268.445 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N(C(N)=[NH2+])c1ccccc1F)C2 ZINC001169091418 811383091 /nfs/dbraw/zinc/38/30/91/811383091.db2.gz QRGZQCOQHNCCIU-GDNZZTSVSA-N 2 1 276.359 2.151 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Nc1ccc(C[NH3+])c(F)c1)C2 ZINC001169118071 811387767 /nfs/dbraw/zinc/38/77/67/811387767.db2.gz DDCLSLMCGBAAKW-BTTYYORXSA-N 2 1 263.360 2.322 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH+]3CCCC3)CC1)C2 ZINC001169123345 811392179 /nfs/dbraw/zinc/39/21/79/811392179.db2.gz JPFSIKZLSUBPOS-FVQHAEBGSA-N 2 1 277.456 2.172 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCC(=O)c1cccnc1)C2 ZINC001169124359 811392864 /nfs/dbraw/zinc/39/28/64/811392864.db2.gz QIAJQFDKEKLBPG-PHZGNYQRSA-N 2 1 287.407 2.259 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCC(=O)c1cccnc1)C2 ZINC001169124359 811392872 /nfs/dbraw/zinc/39/28/72/811392872.db2.gz QIAJQFDKEKLBPG-PHZGNYQRSA-N 2 1 287.407 2.259 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C[C@@H]3CCO)CC1)C2 ZINC001169129218 811397202 /nfs/dbraw/zinc/39/72/02/811397202.db2.gz INMNVKRZPJXEJX-CAOSSQGBSA-N 2 1 278.440 2.096 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C[C@@H]3CCO)CC1)C2 ZINC001169129218 811397210 /nfs/dbraw/zinc/39/72/10/811397210.db2.gz INMNVKRZPJXEJX-CAOSSQGBSA-N 2 1 278.440 2.096 20 0 CEADMP CCOC(=O)CC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169131765 811398664 /nfs/dbraw/zinc/39/86/64/811398664.db2.gz YXTCDOKXVAXIAP-ZSHCYNCHSA-N 2 1 294.439 2.277 20 0 CEADMP CO[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001169136876 811400688 /nfs/dbraw/zinc/40/06/88/811400688.db2.gz BGIMFMZNAPCESK-IFTGGNMHSA-N 2 1 278.440 2.359 20 0 CEADMP CO[C@@H]1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C[C@@H]21 ZINC001169136876 811400692 /nfs/dbraw/zinc/40/06/92/811400692.db2.gz BGIMFMZNAPCESK-IFTGGNMHSA-N 2 1 278.440 2.359 20 0 CEADMP CO[C@@H]1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C[C@@H]21 ZINC001169136876 811400693 /nfs/dbraw/zinc/40/06/93/811400693.db2.gz BGIMFMZNAPCESK-IFTGGNMHSA-N 2 1 278.440 2.359 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1C[C@H](C[NH3+])c3ccccc31)C2 ZINC001169108994 811402827 /nfs/dbraw/zinc/40/28/27/811402827.db2.gz XSEYRHMQAWQVMA-XQLPTFJDSA-N 2 1 271.408 2.174 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOC1CCCC1)C2 ZINC001169108314 811403722 /nfs/dbraw/zinc/40/37/22/811403722.db2.gz QYARJIFWQFWLGV-ZSOGYDGISA-N 2 1 252.402 2.160 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169108893 811403851 /nfs/dbraw/zinc/40/38/51/811403851.db2.gz DVVIEKCCAXGKPX-RBZJEDDUSA-N 2 1 265.445 2.074 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169108893 811403855 /nfs/dbraw/zinc/40/38/55/811403855.db2.gz DVVIEKCCAXGKPX-RBZJEDDUSA-N 3 1 265.445 2.074 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169108893 811403860 /nfs/dbraw/zinc/40/38/60/811403860.db2.gz DVVIEKCCAXGKPX-RBZJEDDUSA-N 3 1 265.445 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@]3(CC3(F)F)C1)C2 ZINC001169140788 811405507 /nfs/dbraw/zinc/40/55/07/811405507.db2.gz LZORVYQHNINVDC-YVECIDJPSA-N 2 1 256.340 2.343 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@]3(CC3(F)F)C1)C2 ZINC001169140788 811405512 /nfs/dbraw/zinc/40/55/12/811405512.db2.gz LZORVYQHNINVDC-YVECIDJPSA-N 2 1 256.340 2.343 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@]3(CC3(F)F)C1)C2 ZINC001169140788 811405515 /nfs/dbraw/zinc/40/55/15/811405515.db2.gz LZORVYQHNINVDC-YVECIDJPSA-N 2 1 256.340 2.343 20 0 CEADMP CCOC(=O)C1(C)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169142253 811407859 /nfs/dbraw/zinc/40/78/59/811407859.db2.gz SWMLAUXYRWYPIB-FICVDOATSA-N 2 1 294.439 2.277 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](c3ccncc3)C1)C2 ZINC001169142379 811408269 /nfs/dbraw/zinc/40/82/69/811408269.db2.gz UBILWPZXUATOFX-NCOADZHNSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](c3ccncc3)C1)C2 ZINC001169142379 811408275 /nfs/dbraw/zinc/40/82/75/811408275.db2.gz UBILWPZXUATOFX-NCOADZHNSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](c3ccncc3)C1)C2 ZINC001169142379 811408278 /nfs/dbraw/zinc/40/82/78/811408278.db2.gz UBILWPZXUATOFX-NCOADZHNSA-N 2 1 271.408 2.496 20 0 CEADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)CCOCC(C)C ZINC001172458038 815445648 /nfs/dbraw/zinc/44/56/48/815445648.db2.gz VTDZALWQXULSKZ-LBPRGKRZSA-N 2 1 253.390 2.316 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169153729 811415595 /nfs/dbraw/zinc/41/55/95/811415595.db2.gz LKXCMYSJRPSQID-JYYAWHABSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169153729 811415599 /nfs/dbraw/zinc/41/55/99/811415599.db2.gz LKXCMYSJRPSQID-JYYAWHABSA-N 2 1 294.439 2.277 20 0 CEADMP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)CC1 ZINC001169244468 811460170 /nfs/dbraw/zinc/46/01/70/811460170.db2.gz QIIDJILQLRKAOF-GDBMZVCRSA-N 2 1 267.461 2.179 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169276304 811470609 /nfs/dbraw/zinc/47/06/09/811470609.db2.gz ZWZWGGARXHQCPS-QQFBHYJXSA-N 2 1 288.391 2.188 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169276304 811470615 /nfs/dbraw/zinc/47/06/15/811470615.db2.gz ZWZWGGARXHQCPS-QQFBHYJXSA-N 2 1 288.391 2.188 20 0 CEADMP CC[C@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001044336894 811472653 /nfs/dbraw/zinc/47/26/53/811472653.db2.gz XBXQHFBVHHLVDH-HOCLYGCPSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044742847 811531231 /nfs/dbraw/zinc/53/12/31/811531231.db2.gz IYYZJTQTZTZGDC-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)nc1 ZINC001206012815 811572716 /nfs/dbraw/zinc/57/27/16/811572716.db2.gz OBPAINWBSHZMCA-UKRRQHHQSA-N 2 1 261.413 2.451 20 0 CEADMP Cc1cc(F)ncc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206013743 811582443 /nfs/dbraw/zinc/58/24/43/811582443.db2.gz UBFYUHZSCQWYLG-CHWSQXEVSA-N 2 1 265.376 2.336 20 0 CEADMP CCOC(=O)N1CCC[C@@H]([N@@H+](CC)CCC[NH+](C)C)CC1 ZINC001169709219 811635232 /nfs/dbraw/zinc/63/52/32/811635232.db2.gz HOHWYDLFMJVWHU-OAHLLOKOSA-N 2 1 299.459 2.271 20 0 CEADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169797286 811665492 /nfs/dbraw/zinc/66/54/92/811665492.db2.gz CWDWXMLFGMTIHH-CABCVRRESA-N 2 1 283.460 2.001 20 0 CEADMP Cc1cc2c[nH+]c(NCC34CC[NH+](CC3)CC4)nc2[nH]1 ZINC001169793728 811673000 /nfs/dbraw/zinc/67/30/00/811673000.db2.gz ZJTAWVRLKMSPNJ-UHFFFAOYSA-N 2 1 271.368 2.116 20 0 CEADMP CC[N@H+](C)C1CC[NH+]([C@H]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001172632425 815479501 /nfs/dbraw/zinc/47/95/01/815479501.db2.gz JOFQYALXFRTIQC-ZFWWWQNUSA-N 2 1 282.428 2.134 20 0 CEADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001172632425 815479503 /nfs/dbraw/zinc/47/95/03/815479503.db2.gz JOFQYALXFRTIQC-ZFWWWQNUSA-N 2 1 282.428 2.134 20 0 CEADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109443854 811890690 /nfs/dbraw/zinc/89/06/90/811890690.db2.gz IBYTUPSUFBKDDL-QXSJWSMHSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC001157001250 811980683 /nfs/dbraw/zinc/98/06/83/811980683.db2.gz KZZXFAVYTQVELY-LBPRGKRZSA-N 2 1 258.369 2.482 20 0 CEADMP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110022413 811984754 /nfs/dbraw/zinc/98/47/54/811984754.db2.gz WZNAPXPKJWDHRV-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001110022413 811984759 /nfs/dbraw/zinc/98/47/59/811984759.db2.gz WZNAPXPKJWDHRV-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2[NH3+])C1 ZINC001170126281 812175690 /nfs/dbraw/zinc/17/56/90/812175690.db2.gz UVHOYXCVNJGZOM-SYQHCUMBSA-N 2 1 297.443 2.101 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001172768101 815513419 /nfs/dbraw/zinc/51/34/19/815513419.db2.gz OIJBZUJKSGEBBR-ILXRZTDVSA-N 2 1 282.428 2.182 20 0 CEADMP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113686636 812299184 /nfs/dbraw/zinc/29/91/84/812299184.db2.gz OTSOGCPZKAWGFF-INIZCTEOSA-N 2 1 297.487 2.153 20 0 CEADMP CCC/C=C/CC[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170211120 812337466 /nfs/dbraw/zinc/33/74/66/812337466.db2.gz KIAAIXKDWCDZKR-BQYQJAHWSA-N 2 1 283.460 2.171 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccc(F)cn1 ZINC001254501599 812410100 /nfs/dbraw/zinc/41/01/00/812410100.db2.gz VWULRJQKRXPYMU-YPMHNXCESA-N 2 1 251.349 2.356 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(F)cn1 ZINC001254501599 812410105 /nfs/dbraw/zinc/41/01/05/812410105.db2.gz VWULRJQKRXPYMU-YPMHNXCESA-N 2 1 251.349 2.356 20 0 CEADMP CCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129430923 812494297 /nfs/dbraw/zinc/49/42/97/812494297.db2.gz ZXFHMORJQHQUSI-INIZCTEOSA-N 2 1 295.471 2.289 20 0 CEADMP C[C@H](Nc1[nH+]ccc2cc(F)ccc21)[C@H]1C[NH2+]CCO1 ZINC001170565357 812682934 /nfs/dbraw/zinc/68/29/34/812682934.db2.gz UZSMAYRONHXHJP-IINYFYTJSA-N 2 1 275.327 2.163 20 0 CEADMP CCC[N@@H+]1C[C@H]2CN(Cc3n[nH]c4ccccc43)C[C@H]2C1 ZINC001137352290 812708087 /nfs/dbraw/zinc/70/80/87/812708087.db2.gz VTYCBNRUXYCKRJ-OKILXGFUSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[N@H+]1C[C@H]2CN(Cc3[nH]nc4ccccc43)C[C@H]2C1 ZINC001137352290 812708091 /nfs/dbraw/zinc/70/80/91/812708091.db2.gz VTYCBNRUXYCKRJ-OKILXGFUSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[N@@H+]1C[C@H]2CN(Cc3[nH]nc4ccccc43)C[C@H]2C1 ZINC001137352290 812708095 /nfs/dbraw/zinc/70/80/95/812708095.db2.gz VTYCBNRUXYCKRJ-OKILXGFUSA-N 2 1 284.407 2.337 20 0 CEADMP CCCCCC[C@H](CC)[NH2+]CCC[NH+](CCO)CCO ZINC001170580363 812708320 /nfs/dbraw/zinc/70/83/20/812708320.db2.gz DRLBFSHCAIYVLT-INIZCTEOSA-N 2 1 288.476 2.002 20 0 CEADMP CO[C@H]1CCC[C@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)C1 ZINC001172932165 815551276 /nfs/dbraw/zinc/55/12/76/815551276.db2.gz BECQUCODUUWQMK-HOTGVXAUSA-N 2 1 278.440 2.362 20 0 CEADMP CO[C@H]1CCC[C@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001172932165 815551277 /nfs/dbraw/zinc/55/12/77/815551277.db2.gz BECQUCODUUWQMK-HOTGVXAUSA-N 2 1 278.440 2.362 20 0 CEADMP CC(C)CC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132247971 812808653 /nfs/dbraw/zinc/80/86/53/812808653.db2.gz AMFJRNBKISFPMP-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CCCCC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132247976 812808991 /nfs/dbraw/zinc/80/89/91/812808991.db2.gz AMPVJKFPHXMHHY-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001050385342 812812813 /nfs/dbraw/zinc/81/28/13/812812813.db2.gz AJZHWDSMVMDXTH-JYJNAYRXSA-N 2 1 295.471 2.001 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC(C)C)C1 ZINC001132377339 812835866 /nfs/dbraw/zinc/83/58/66/812835866.db2.gz WUINEUCUCWPDGP-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132377444 812835955 /nfs/dbraw/zinc/83/59/55/812835955.db2.gz XNKMLPNPQNWVND-JKSUJKDBSA-N 2 1 295.471 2.264 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2CC2)C1 ZINC001132376745 812838070 /nfs/dbraw/zinc/83/80/70/812838070.db2.gz QDRALIYNDYJMQW-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132377561 812838452 /nfs/dbraw/zinc/83/84/52/812838452.db2.gz YIWYGJVRVAYDGP-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132518914 812870196 /nfs/dbraw/zinc/87/01/96/812870196.db2.gz QBGFTOMZDYEHHG-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2CC2)C1 ZINC001132518914 812870201 /nfs/dbraw/zinc/87/02/01/812870201.db2.gz QBGFTOMZDYEHHG-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](C[NH2+]C(C)C)C1 ZINC001132938655 812960377 /nfs/dbraw/zinc/96/03/77/812960377.db2.gz XIFGURKHRDRTHB-LSDHHAIUSA-N 2 1 297.487 2.199 20 0 CEADMP CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052444897 812993529 /nfs/dbraw/zinc/99/35/29/812993529.db2.gz JCSBXYFRSLARAS-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052444897 812993533 /nfs/dbraw/zinc/99/35/33/812993533.db2.gz JCSBXYFRSLARAS-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052444897 812993538 /nfs/dbraw/zinc/99/35/38/812993538.db2.gz JCSBXYFRSLARAS-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052498580 812999647 /nfs/dbraw/zinc/99/96/47/812999647.db2.gz IJNLQTIVNORHRH-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001052498580 812999653 /nfs/dbraw/zinc/99/96/53/812999653.db2.gz IJNLQTIVNORHRH-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001052498580 812999655 /nfs/dbraw/zinc/99/96/55/812999655.db2.gz IJNLQTIVNORHRH-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]C(C)C)C1 ZINC001133261900 813019792 /nfs/dbraw/zinc/01/97/92/813019792.db2.gz DHZWUFRFODBRAK-CVEARBPZSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC2CCCCCC2)C1 ZINC001133846006 813165286 /nfs/dbraw/zinc/16/52/86/813165286.db2.gz RNZCPLQVTPKNLK-HNNXBMFYSA-N 2 1 295.471 2.004 20 0 CEADMP CC/C=C/CC[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133905452 813175335 /nfs/dbraw/zinc/17/53/35/813175335.db2.gz ALTBAHJPBYPAAS-BQYQJAHWSA-N 2 1 283.460 2.026 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCc2ncsc2C1 ZINC001173136676 815596219 /nfs/dbraw/zinc/59/62/19/815596219.db2.gz HCMITEOQBWAIQD-CYBMUJFWSA-N 2 1 279.453 2.274 20 0 CEADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCCN1[C@@H]1CC[N@H+](C)C1 ZINC001255444781 813214411 /nfs/dbraw/zinc/21/44/11/813214411.db2.gz QKAOSRMLXWRULY-HRCADAONSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+]1CC[C@@H](N2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001255444781 813214415 /nfs/dbraw/zinc/21/44/15/813214415.db2.gz QKAOSRMLXWRULY-HRCADAONSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+]1CC[C@@H](N2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001255444781 813214418 /nfs/dbraw/zinc/21/44/18/813214418.db2.gz QKAOSRMLXWRULY-HRCADAONSA-N 2 1 265.445 2.029 20 0 CEADMP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608238 813298660 /nfs/dbraw/zinc/29/86/60/813298660.db2.gz SQUYBBQBNJULSR-LSDHHAIUSA-N 2 1 297.487 2.390 20 0 CEADMP COc1cc(NCC2C[NH+](C)C2)[nH+]c2ccccc21 ZINC001159220213 813299567 /nfs/dbraw/zinc/29/95/67/813299567.db2.gz VAIXCYWUBCTTJT-UHFFFAOYSA-N 2 1 257.337 2.217 20 0 CEADMP Fc1cc(F)cc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000394223431 813366274 /nfs/dbraw/zinc/36/62/74/813366274.db2.gz DXTGIRIGZGKEHP-QYPKEOEOSA-N 2 1 278.346 2.093 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCOCC1)C2 ZINC001170793296 813367977 /nfs/dbraw/zinc/36/79/77/813367977.db2.gz YEIYFQINUOZGKP-ZQDZILKHSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCOCC1)C2 ZINC001170793296 813367984 /nfs/dbraw/zinc/36/79/84/813367984.db2.gz YEIYFQINUOZGKP-ZQDZILKHSA-N 2 1 252.402 2.160 20 0 CEADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCCOCC2)[C@H](C)C1 ZINC001170804485 813393599 /nfs/dbraw/zinc/39/35/99/813393599.db2.gz OULZMURZFUOEGE-ILXRZTDVSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(C)C ZINC001135860356 813548112 /nfs/dbraw/zinc/54/81/12/813548112.db2.gz ARTBOUQMKBPZBD-HUUCEWRRSA-N 2 1 285.476 2.247 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC=C(C)C ZINC001135860358 813548526 /nfs/dbraw/zinc/54/85/26/813548526.db2.gz ASGDVPXZNCVAJX-CABCVRRESA-N 2 1 283.460 2.167 20 0 CEADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170872735 813571672 /nfs/dbraw/zinc/57/16/72/813571672.db2.gz ZVWNAMBVHBRGRS-ARFHVFGLSA-N 2 1 297.487 2.247 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN(C)c1ccccc1 ZINC000396641530 813578813 /nfs/dbraw/zinc/57/88/13/813578813.db2.gz PFARLFHFOQORAF-ZBFHGGJFSA-N 2 1 261.413 2.243 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CC1(C)C ZINC000397609788 813629281 /nfs/dbraw/zinc/62/92/81/813629281.db2.gz HKVUCRNHHWSIDZ-YJNKXOJESA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CC1(C)C ZINC000397609788 813629284 /nfs/dbraw/zinc/62/92/84/813629284.db2.gz HKVUCRNHHWSIDZ-YJNKXOJESA-N 2 1 266.429 2.264 20 0 CEADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC001246018436 813661635 /nfs/dbraw/zinc/66/16/35/813661635.db2.gz DRMAFLGFAIZIRJ-HUUCEWRRSA-N 2 1 284.350 2.012 20 0 CEADMP [NH3+]C[C@@]1(F)CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC001246018462 813661700 /nfs/dbraw/zinc/66/17/00/813661700.db2.gz DRMAFLGFAIZIRJ-LSDHHAIUSA-N 2 1 284.350 2.012 20 0 CEADMP C1CCC([N@H+]2CCC[C@H](N[C@H]3CCCC[NH2+]C3)C2)C1 ZINC001246090661 813678679 /nfs/dbraw/zinc/67/86/79/813678679.db2.gz LOTBRDXMRHWMKA-GJZGRUSLSA-N 2 1 265.445 2.125 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246091191 813680318 /nfs/dbraw/zinc/68/03/18/813680318.db2.gz GZBSTTHTSIMPEQ-SOUVJXGZSA-N 3 1 255.450 2.085 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246093881 813683009 /nfs/dbraw/zinc/68/30/09/813683009.db2.gz XGPZIFOGYOLFFA-SYQHCUMBSA-N 3 1 253.434 2.013 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+][C@]2(C)CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246111621 813705204 /nfs/dbraw/zinc/70/52/04/813705204.db2.gz JDSXXGXISFNXRY-QKPAOTATSA-N 3 1 267.461 2.417 20 0 CEADMP Fc1cc(F)c2c(c1)C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC001246188507 813726830 /nfs/dbraw/zinc/72/68/30/813726830.db2.gz ZBBVDMHHFZROQE-CHWSQXEVSA-N 2 1 266.335 2.164 20 0 CEADMP COC[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001255561382 813741441 /nfs/dbraw/zinc/74/14/41/813741441.db2.gz BBZLUVJHDUUSGX-UONOGXRCSA-N 2 1 250.386 2.118 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246343628 813793132 /nfs/dbraw/zinc/79/31/32/813793132.db2.gz GDHQCGHVLXBNPP-AWEZNQCLSA-N 3 1 267.461 2.262 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001074092010 813803392 /nfs/dbraw/zinc/80/33/92/813803392.db2.gz QTNUBSHAZKQFEJ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001074092010 813803400 /nfs/dbraw/zinc/80/34/00/813803400.db2.gz QTNUBSHAZKQFEJ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001074092010 813803411 /nfs/dbraw/zinc/80/34/11/813803411.db2.gz QTNUBSHAZKQFEJ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC1CCC([N@H+]2CCC[C@@](O)(C[NH3+])CC2)CC1 ZINC001246539862 813950690 /nfs/dbraw/zinc/95/06/90/813950690.db2.gz CBEZGYRSUXZVRI-NRXISQOPSA-N 2 1 254.418 2.131 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[NH2+]CC1Oc2ccccc2O1 ZINC001255952221 814038613 /nfs/dbraw/zinc/03/86/13/814038613.db2.gz UAHOBFKYTZSIQE-ZDUSSCGKSA-N 2 1 278.396 2.494 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](C2CCC(F)(F)CC2)CCC1(F)F ZINC001246560031 814044925 /nfs/dbraw/zinc/04/49/25/814044925.db2.gz OVLKUVQWOSVLCN-VIFPVBQESA-N 2 1 268.298 2.480 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC001255964845 814063295 /nfs/dbraw/zinc/06/32/95/814063295.db2.gz VRIGSBLDFZWHNH-OAHLLOKOSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC001255965118 814063410 /nfs/dbraw/zinc/06/34/10/814063410.db2.gz XUINBAAEKZWWTG-ZBFHGGJFSA-N 2 1 284.444 2.382 20 0 CEADMP CCOC(=O)NC1CC[NH+]([C@H](C)CC[NH+](CC)CC)CC1 ZINC001255972116 814065296 /nfs/dbraw/zinc/06/52/96/814065296.db2.gz NNZYQXXFOIWUND-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP CC(C)C[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001100420749 814112950 /nfs/dbraw/zinc/11/29/50/814112950.db2.gz UQRFTTRZWDKYPX-UYSNPLJNSA-N 2 1 295.471 2.001 20 0 CEADMP CCC[NH+]1C[C@@H]2CN(Cc3[nH+]cn4ccccc34)C[C@H]2C1 ZINC001144627822 814134305 /nfs/dbraw/zinc/13/43/05/814134305.db2.gz XJYPLPWBSSUQDO-HUUCEWRRSA-N 2 1 284.407 2.108 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCN[C@@H](C(F)(F)F)C2)C1 ZINC001246583869 814160754 /nfs/dbraw/zinc/16/07/54/814160754.db2.gz LCJOCTWFYWPMKN-YNEHKIRRSA-N 2 1 293.377 2.120 20 0 CEADMP CCCCOC(=O)CC[C@@H](C)[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001246594803 814190571 /nfs/dbraw/zinc/19/05/71/814190571.db2.gz MODVPKYDDKJDHW-UONOGXRCSA-N 2 1 270.417 2.182 20 0 CEADMP CCCCOC(=O)CC[C@@H](C)[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001246594803 814190578 /nfs/dbraw/zinc/19/05/78/814190578.db2.gz MODVPKYDDKJDHW-UONOGXRCSA-N 2 1 270.417 2.182 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]C[C@H](C)CC)C1 ZINC001100898409 814202845 /nfs/dbraw/zinc/20/28/45/814202845.db2.gz DXCWJAKDPBGGCC-QQFBHYJXSA-N 2 1 297.487 2.249 20 0 CEADMP CCCC[C@@H](CCC)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246605944 814204990 /nfs/dbraw/zinc/20/49/90/814204990.db2.gz SHOVMBNJTBDLRC-OAHLLOKOSA-N 2 1 267.461 2.373 20 0 CEADMP CC[C@@H](CC(C)C)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246615659 814213748 /nfs/dbraw/zinc/21/37/48/814213748.db2.gz DTVISCWQRDZKFL-LSDHHAIUSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC(C)(C)C1 ZINC001246623062 814221783 /nfs/dbraw/zinc/22/17/83/814221783.db2.gz JPOIPIKFAVCFDZ-APIJFGDWSA-N 2 1 266.429 2.121 20 0 CEADMP C[N@@H+](Cc1cc(F)cc(F)c1)C[C@H]1CCC[NH2+]C1 ZINC000234358158 814421689 /nfs/dbraw/zinc/42/16/89/814421689.db2.gz SIHUFHCXWGHQHD-NSHDSACASA-N 2 1 254.324 2.396 20 0 CEADMP C[N@H+](Cc1cc(F)cc(F)c1)C[C@H]1CCC[NH2+]C1 ZINC000234358158 814421695 /nfs/dbraw/zinc/42/16/95/814421695.db2.gz SIHUFHCXWGHQHD-NSHDSACASA-N 2 1 254.324 2.396 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC=C(C)C ZINC001147357979 814427703 /nfs/dbraw/zinc/42/77/03/814427703.db2.gz BGPMBBREGXKZNH-INIZCTEOSA-N 2 1 295.471 2.313 20 0 CEADMP CCCCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161060768 814497462 /nfs/dbraw/zinc/49/74/62/814497462.db2.gz CVMCVWHRAKZYFV-HUUCEWRRSA-N 2 1 283.460 2.227 20 0 CEADMP CCCCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148551495 814582488 /nfs/dbraw/zinc/58/24/88/814582488.db2.gz LYDXUKHBDNQPFJ-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCCCC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001148551495 814582493 /nfs/dbraw/zinc/58/24/93/814582493.db2.gz LYDXUKHBDNQPFJ-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCCCC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001148551495 814582496 /nfs/dbraw/zinc/58/24/96/814582496.db2.gz LYDXUKHBDNQPFJ-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)[C@H](CC)CO1 ZINC000697035796 814644646 /nfs/dbraw/zinc/64/46/46/814644646.db2.gz WDPYKXGHSNMOQG-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)[C@H](CC)CO1 ZINC000697035796 814644653 /nfs/dbraw/zinc/64/46/53/814644653.db2.gz WDPYKXGHSNMOQG-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2Cc3cncnc3C2)CC1 ZINC001173107985 815582265 /nfs/dbraw/zinc/58/22/65/815582265.db2.gz ACZJAHPLSCQLGL-UHFFFAOYSA-N 2 1 274.412 2.445 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC001173110799 815582906 /nfs/dbraw/zinc/58/29/06/815582906.db2.gz YFNJJIHUZUOBBB-PRLABOORSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](CC)C1CCC(N2CC[N@H+]3CC[C@@H]3C2)CC1 ZINC001173112612 815583757 /nfs/dbraw/zinc/58/37/57/815583757.db2.gz APNLXNWEWMOZEH-UYSNPLJNSA-N 2 1 265.445 2.029 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CCN3CC[C@@H]3C2)CC1 ZINC001173112612 815583762 /nfs/dbraw/zinc/58/37/62/815583762.db2.gz APNLXNWEWMOZEH-UYSNPLJNSA-N 2 1 265.445 2.029 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCN3CC[C@@H]3C2)CC1 ZINC001173112612 815583768 /nfs/dbraw/zinc/58/37/68/815583768.db2.gz APNLXNWEWMOZEH-UYSNPLJNSA-N 2 1 265.445 2.029 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](C)C2(C)COC2)CC1 ZINC001173114344 815584081 /nfs/dbraw/zinc/58/40/81/815584081.db2.gz HMBYDFXTFPCOBW-UHFFFAOYSA-N 2 1 254.418 2.360 20 0 CEADMP C([C@H]1CCC2(CCC2)O1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000712377263 814741717 /nfs/dbraw/zinc/74/17/17/814741717.db2.gz OJBQPMLPUBRNSF-CQSZACIVSA-N 2 1 264.413 2.164 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCC3)O2)[C@@H]1C[NH3+] ZINC000712450537 814748926 /nfs/dbraw/zinc/74/89/26/814748926.db2.gz HMSJSFSOTJLTQC-HZSPNIEDSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)O2)[C@@H]1C[NH3+] ZINC000712450537 814748929 /nfs/dbraw/zinc/74/89/29/814748929.db2.gz HMSJSFSOTJLTQC-HZSPNIEDSA-N 2 1 252.402 2.147 20 0 CEADMP [NH3+][C@H]1CCCCC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712485190 814750324 /nfs/dbraw/zinc/75/03/24/814750324.db2.gz LDRUORWTMHKGQG-UONOGXRCSA-N 2 1 252.402 2.291 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712485190 814750328 /nfs/dbraw/zinc/75/03/28/814750328.db2.gz LDRUORWTMHKGQG-UONOGXRCSA-N 2 1 252.402 2.291 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712578527 814753629 /nfs/dbraw/zinc/75/36/29/814753629.db2.gz WFPDRVXOLVBQEK-UHFFFAOYSA-N 2 1 262.397 2.448 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CC[NH2+]CCC1(C)C ZINC000712578527 814753634 /nfs/dbraw/zinc/75/36/34/814753634.db2.gz WFPDRVXOLVBQEK-UHFFFAOYSA-N 2 1 262.397 2.448 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CC2(CO1)CCOCC2 ZINC000712614630 814758289 /nfs/dbraw/zinc/75/82/89/814758289.db2.gz BFAHKDXYGGXANW-OAHLLOKOSA-N 2 1 284.444 2.023 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C[N@@H+]1C1CC1 ZINC001116295017 814844906 /nfs/dbraw/zinc/84/49/06/814844906.db2.gz APAVNAMTHBQZJF-VRKREXBASA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2[NH+](C)C)C[N@H+]1C1CC1 ZINC001116295017 814844911 /nfs/dbraw/zinc/84/49/11/814844911.db2.gz APAVNAMTHBQZJF-VRKREXBASA-N 2 1 265.445 2.074 20 0 CEADMP Fc1ccc(OCC[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000713126657 814845375 /nfs/dbraw/zinc/84/53/75/814845375.db2.gz WBEPQBRZTIYMAZ-UHFFFAOYSA-N 2 1 278.371 2.423 20 0 CEADMP Fc1ccc(OCC[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000713126657 814845379 /nfs/dbraw/zinc/84/53/79/814845379.db2.gz WBEPQBRZTIYMAZ-UHFFFAOYSA-N 2 1 278.371 2.423 20 0 CEADMP [NH3+]C[C@H]1COc2ccccc2N1c1cccn2c[nH+]cc12 ZINC001171397290 814871082 /nfs/dbraw/zinc/87/10/82/814871082.db2.gz OERZMOXLSYOKMM-LBPRGKRZSA-N 2 1 280.331 2.192 20 0 CEADMP CC1(C)CCC[C@H](C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)O1 ZINC000714321598 814893113 /nfs/dbraw/zinc/89/31/13/814893113.db2.gz VDBYMAATTVMTCK-TUAOUCFPSA-N 2 1 294.361 2.403 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)CC[C@@H]1[NH3+] ZINC000714369562 814899788 /nfs/dbraw/zinc/89/97/88/814899788.db2.gz WMECBEQFTFMWLQ-RDBSUJKOSA-N 2 1 254.418 2.393 20 0 CEADMP Cc1ccc(-c2noc([C@H]([NH3+])CCCC[NH3+])n2)cc1 ZINC001247697757 814904323 /nfs/dbraw/zinc/90/43/23/814904323.db2.gz IENPNEJWMFDYOT-GFCCVEGCSA-N 2 1 260.341 2.174 20 0 CEADMP CC[N@H+]1CC[C@H](N2CCC([NH3+])(Cc3ccccc3)CC2)C1 ZINC001173353492 815694359 /nfs/dbraw/zinc/69/43/59/815694359.db2.gz DXDVSRYJWIYFQI-KRWDZBQOSA-N 2 1 287.451 2.117 20 0 CEADMP COC(=O)CCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001173437749 815714684 /nfs/dbraw/zinc/71/46/84/815714684.db2.gz PGRPQFUXMNHJPI-KGLIPLIRSA-N 2 1 270.417 2.040 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001173449976 815733739 /nfs/dbraw/zinc/73/37/39/815733739.db2.gz XALIBSSPUBTFEN-RDBSUJKOSA-N 2 1 270.417 2.038 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001173449976 815733742 /nfs/dbraw/zinc/73/37/42/815733742.db2.gz XALIBSSPUBTFEN-RDBSUJKOSA-N 2 1 270.417 2.038 20 0 CEADMP CCOC(=O)[C@@H]1CC12CCC([NH2+]C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001173598460 815756957 /nfs/dbraw/zinc/75/69/57/815756957.db2.gz FSAUOUFSDHNHCL-GJEMEMOUSA-N 2 1 294.439 2.040 20 0 CEADMP CCOC(=O)[C@@H]1CC12CCC(n1c[nH+]cc1CC[NH3+])CC2 ZINC001173601554 815760288 /nfs/dbraw/zinc/76/02/88/815760288.db2.gz LUABASZPJBUAMS-UGWHAMFMSA-N 2 1 291.395 2.069 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC001173662608 815780056 /nfs/dbraw/zinc/78/00/56/815780056.db2.gz YLAUGDFTMLRLSY-INMHGKMJSA-N 2 1 294.439 2.136 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC001173662608 815780060 /nfs/dbraw/zinc/78/00/60/815780060.db2.gz YLAUGDFTMLRLSY-INMHGKMJSA-N 2 1 294.439 2.136 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC001173662608 815780065 /nfs/dbraw/zinc/78/00/65/815780065.db2.gz YLAUGDFTMLRLSY-INMHGKMJSA-N 2 1 294.439 2.136 20 0 CEADMP COc1cccc(F)c1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001138385760 815784704 /nfs/dbraw/zinc/78/47/04/815784704.db2.gz BJZCTTCFJPZEKI-UHFFFAOYSA-N 2 1 278.371 2.362 20 0 CEADMP CCOc1cc(OC)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206209035 815789857 /nfs/dbraw/zinc/78/98/57/815789857.db2.gz AFJPQPYAIQLJQQ-LSDHHAIUSA-N 2 1 296.386 2.355 20 0 CEADMP CCOc1cc(OC)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206209035 815789862 /nfs/dbraw/zinc/78/98/62/815789862.db2.gz AFJPQPYAIQLJQQ-LSDHHAIUSA-N 2 1 296.386 2.355 20 0 CEADMP COC(C[N@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1)OC ZINC001138549281 815826684 /nfs/dbraw/zinc/82/66/84/815826684.db2.gz UOFACXQLBRMRLG-UHFFFAOYSA-N 2 1 289.379 2.231 20 0 CEADMP COC(C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1)OC ZINC001138549281 815826690 /nfs/dbraw/zinc/82/66/90/815826690.db2.gz UOFACXQLBRMRLG-UHFFFAOYSA-N 2 1 289.379 2.231 20 0 CEADMP COc1ccc2c(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c[nH]c2c1 ZINC001138589829 815838050 /nfs/dbraw/zinc/83/80/50/815838050.db2.gz KONUHFUIQCCANF-OKILXGFUSA-N 2 1 285.391 2.170 20 0 CEADMP CCC[N@@H+]1C[C@H]2CN(Cc3c(C)nn(CC)c3C)C[C@H]2C1 ZINC001138645691 815858126 /nfs/dbraw/zinc/85/81/26/815858126.db2.gz RATBEAPPDGEAJX-IYBDPMFKSA-N 2 1 290.455 2.293 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1C ZINC001138646077 815858561 /nfs/dbraw/zinc/85/85/61/815858561.db2.gz JGDKXAZFTMTTRD-UHFFFAOYSA-N 2 1 290.455 2.438 20 0 CEADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc(C)n1 ZINC001276398223 815993998 /nfs/dbraw/zinc/99/39/98/815993998.db2.gz PNRQOWCMQARVEF-CALCHBBNSA-N 2 1 273.424 2.472 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc(C)n1 ZINC001276398223 815994005 /nfs/dbraw/zinc/99/40/05/815994005.db2.gz PNRQOWCMQARVEF-CALCHBBNSA-N 2 1 273.424 2.472 20 0 CEADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc(C)n1 ZINC001276398223 815994011 /nfs/dbraw/zinc/99/40/11/815994011.db2.gz PNRQOWCMQARVEF-CALCHBBNSA-N 2 1 273.424 2.472 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256978 816163197 /nfs/dbraw/zinc/16/31/97/816163197.db2.gz RILPEZSMBZAPDG-LSDHHAIUSA-N 2 1 283.460 2.145 20 0 CEADMP COC[C@@H]1CC[N@@H+]1Cc1ccccc1-n1cc[nH+]c1C ZINC001140029176 816170673 /nfs/dbraw/zinc/17/06/73/816170673.db2.gz IEVQCRRVRFOKGX-HNNXBMFYSA-N 2 1 271.364 2.401 20 0 CEADMP COC[C@@H]1CC[N@H+]1Cc1ccccc1-n1cc[nH+]c1C ZINC001140029176 816170678 /nfs/dbraw/zinc/17/06/78/816170678.db2.gz IEVQCRRVRFOKGX-HNNXBMFYSA-N 2 1 271.364 2.401 20 0 CEADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)cc1O ZINC001140202281 816208613 /nfs/dbraw/zinc/20/86/13/816208613.db2.gz OXKGJOUCRAIGCU-GASCZTMLSA-N 2 1 260.381 2.002 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)cc1O ZINC001140202281 816208616 /nfs/dbraw/zinc/20/86/16/816208616.db2.gz OXKGJOUCRAIGCU-GASCZTMLSA-N 2 1 260.381 2.002 20 0 CEADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)cc1O ZINC001140202281 816208620 /nfs/dbraw/zinc/20/86/20/816208620.db2.gz OXKGJOUCRAIGCU-GASCZTMLSA-N 2 1 260.381 2.002 20 0 CEADMP C[N@@H+]1CCC=C(Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001175577190 816240431 /nfs/dbraw/zinc/24/04/31/816240431.db2.gz ZUNWRFRNFXAFLQ-UHFFFAOYSA-N 2 1 287.407 2.150 20 0 CEADMP C[N@H+]1CCC=C(Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001175577190 816240436 /nfs/dbraw/zinc/24/04/36/816240436.db2.gz ZUNWRFRNFXAFLQ-UHFFFAOYSA-N 2 1 287.407 2.150 20 0 CEADMP CN(C)c1cccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206622893 816373071 /nfs/dbraw/zinc/37/30/71/816373071.db2.gz IREGFUVJPSLPIP-HNNXBMFYSA-N 2 1 261.413 2.313 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001276403754 816426157 /nfs/dbraw/zinc/42/61/57/816426157.db2.gz GWDYVDXDCKDRKC-QGZVFWFLSA-N 2 1 284.407 2.481 20 0 CEADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176591794 816438017 /nfs/dbraw/zinc/43/80/17/816438017.db2.gz POQSNLDVGIEZKD-AWEZNQCLSA-N 2 1 294.443 2.256 20 0 CEADMP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563593 816441689 /nfs/dbraw/zinc/44/16/89/816441689.db2.gz FZSDRFSWHQDOEX-ZBFHGGJFSA-N 2 1 295.471 2.003 20 0 CEADMP CCCCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176992628 816505106 /nfs/dbraw/zinc/50/51/06/816505106.db2.gz VXJRVGMZWZPPHV-HNNXBMFYSA-N 2 1 283.460 2.147 20 0 CEADMP COCCCC[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001177008889 816508129 /nfs/dbraw/zinc/50/81/29/816508129.db2.gz QYCYRDVDRXWRHE-IYBDPMFKSA-N 2 1 266.429 2.221 20 0 CEADMP COCCCC[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001177008889 816508133 /nfs/dbraw/zinc/50/81/33/816508133.db2.gz QYCYRDVDRXWRHE-IYBDPMFKSA-N 2 1 266.429 2.221 20 0 CEADMP COCCCC[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177008889 816508122 /nfs/dbraw/zinc/50/81/22/816508122.db2.gz QYCYRDVDRXWRHE-IYBDPMFKSA-N 2 1 266.429 2.221 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(-n4ccnc4)c3)C2)C1 ZINC001141244929 816512805 /nfs/dbraw/zinc/51/28/05/816512805.db2.gz XAJJTJAHLULYLI-SFHVURJKSA-N 2 1 296.418 2.400 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(-n4ccnc4)c3)C2)C1 ZINC001141244929 816512812 /nfs/dbraw/zinc/51/28/12/816512812.db2.gz XAJJTJAHLULYLI-SFHVURJKSA-N 2 1 296.418 2.400 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(-n4ccnc4)c3)C2)C1 ZINC001141244929 816512816 /nfs/dbraw/zinc/51/28/16/816512816.db2.gz XAJJTJAHLULYLI-SFHVURJKSA-N 2 1 296.418 2.400 20 0 CEADMP CN(C)c1cccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001141270045 816516991 /nfs/dbraw/zinc/51/69/91/816516991.db2.gz DTRQAHXCBHIQLM-NVXWUHKLSA-N 2 1 273.424 2.136 20 0 CEADMP CN(C)c1cccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001141270045 816516994 /nfs/dbraw/zinc/51/69/94/816516994.db2.gz DTRQAHXCBHIQLM-NVXWUHKLSA-N 2 1 273.424 2.136 20 0 CEADMP COC(=O)c1ccccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206304721 816568735 /nfs/dbraw/zinc/56/87/35/816568735.db2.gz OOFGOPGXZAOKNP-KRWDZBQOSA-N 2 1 290.407 2.424 20 0 CEADMP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045681 816662863 /nfs/dbraw/zinc/66/28/63/816662863.db2.gz RVMAVZHPQIGBCE-HOTGVXAUSA-N 2 1 297.487 2.393 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(Cc3cc4cccnc4[nH]3)C2)C1 ZINC001143221960 816815158 /nfs/dbraw/zinc/81/51/58/816815158.db2.gz SEBVOOOYEMFJIL-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2CCOC)C1 ZINC000337404352 214059640 /nfs/dbraw/zinc/05/96/40/214059640.db2.gz RKZZWBITRCAAEP-KFWWJZLASA-N 2 1 254.418 2.123 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351472548 282085382 /nfs/dbraw/zinc/08/53/82/282085382.db2.gz BBHGGLHMQGYJTH-IHRRRGAJSA-N 2 1 282.391 2.107 20 0 CEADMP c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(-c2ccncc2)c1 ZINC000336213072 365529377 /nfs/dbraw/zinc/52/93/77/365529377.db2.gz VMHFBVDFAAAJQL-HDICACEKSA-N 2 1 279.387 2.400 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449106007 282101813 /nfs/dbraw/zinc/10/18/13/282101813.db2.gz JZIBHUHJJVOVDF-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000449109980 282103595 /nfs/dbraw/zinc/10/35/95/282103595.db2.gz ZXPAUARORHMKOA-GJZGRUSLSA-N 2 1 297.487 2.247 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000037887369 260165530 /nfs/dbraw/zinc/16/55/30/260165530.db2.gz AWXVAGXLZZXXNO-AWEZNQCLSA-N 2 1 268.788 2.057 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)CC[N@@H+]1C ZINC000124840191 187156697 /nfs/dbraw/zinc/15/66/97/187156697.db2.gz CMZSIIDDYGWBBB-KJWHEZOQSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)CC[N@H+]1C ZINC000124840191 187156698 /nfs/dbraw/zinc/15/66/98/187156698.db2.gz CMZSIIDDYGWBBB-KJWHEZOQSA-N 2 1 252.402 2.016 20 0 CEADMP CC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCC1 ZINC000449153020 282122240 /nfs/dbraw/zinc/12/22/40/282122240.db2.gz IFMQKOWLIBKXCN-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1ncc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000336555079 365637595 /nfs/dbraw/zinc/63/75/95/365637595.db2.gz XOQGJSMKNKHCFU-JSGCOSHPSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000336555079 365637604 /nfs/dbraw/zinc/63/76/04/365637604.db2.gz XOQGJSMKNKHCFU-JSGCOSHPSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000336555079 365637608 /nfs/dbraw/zinc/63/76/08/365637608.db2.gz XOQGJSMKNKHCFU-JSGCOSHPSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000336555079 365637615 /nfs/dbraw/zinc/63/76/15/365637615.db2.gz XOQGJSMKNKHCFU-JSGCOSHPSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([NH3+])CC1 ZINC000336562113 365648482 /nfs/dbraw/zinc/64/84/82/365648482.db2.gz RTOQNKKDPLKMRM-UHFFFAOYSA-N 2 1 284.407 2.412 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000125198282 365667954 /nfs/dbraw/zinc/66/79/54/365667954.db2.gz CFKMYFGWFWOGCX-HOTGVXAUSA-N 2 1 265.445 2.031 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000125458654 365676104 /nfs/dbraw/zinc/67/61/04/365676104.db2.gz WKJHJDRCPAEWLE-ZIAGYGMSSA-N 2 1 297.443 2.070 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000125458654 365676109 /nfs/dbraw/zinc/67/61/09/365676109.db2.gz WKJHJDRCPAEWLE-ZIAGYGMSSA-N 2 1 297.443 2.070 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000125458654 365676112 /nfs/dbraw/zinc/67/61/12/365676112.db2.gz WKJHJDRCPAEWLE-ZIAGYGMSSA-N 2 1 297.443 2.070 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000125458654 365676116 /nfs/dbraw/zinc/67/61/16/365676116.db2.gz WKJHJDRCPAEWLE-ZIAGYGMSSA-N 2 1 297.443 2.070 20 0 CEADMP CC(C)[C@@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1)[NH+](C)C ZINC000125230763 187175338 /nfs/dbraw/zinc/17/53/38/187175338.db2.gz KXYBSCNMKIJPQT-HOCLYGCPSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CSC[C@@H]2C)CC1 ZINC000449180718 282133145 /nfs/dbraw/zinc/13/31/45/282133145.db2.gz BQFZDFRLQLIONU-DZGCQCFKSA-N 2 1 286.485 2.217 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000336791334 282133244 /nfs/dbraw/zinc/13/32/44/282133244.db2.gz NCKHMCYUAPHYBP-KGLIPLIRSA-N 2 1 254.418 2.002 20 0 CEADMP Cc1ccc2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cn2c1 ZINC000125286869 187177487 /nfs/dbraw/zinc/17/74/87/187177487.db2.gz HYSVXCMYFQASDN-IMJJTQAJSA-N 2 1 284.407 2.202 20 0 CEADMP Cc1ccc2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cn2c1 ZINC000125286869 187177488 /nfs/dbraw/zinc/17/74/88/187177488.db2.gz HYSVXCMYFQASDN-IMJJTQAJSA-N 2 1 284.407 2.202 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000567681182 299074407 /nfs/dbraw/zinc/07/44/07/299074407.db2.gz LTWZEKMSBAZQSP-ROUUACIJSA-N 2 1 290.451 2.302 20 0 CEADMP CC(C)[NH+](CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C(C)C ZINC000036907533 361870350 /nfs/dbraw/zinc/87/03/50/361870350.db2.gz PUSWTCPOGWLBRK-BZUAXINKSA-N 2 1 269.477 2.424 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000037051616 361893567 /nfs/dbraw/zinc/89/35/67/361893567.db2.gz GBOZFCJCRCIJBB-AWEZNQCLSA-N 2 1 264.417 2.119 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037141086 361899611 /nfs/dbraw/zinc/89/96/11/361899611.db2.gz HETUHVDKZYUTJJ-HNNXBMFYSA-N 2 1 274.412 2.014 20 0 CEADMP O[C@H](C[NH2+][C@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000037859731 361955586 /nfs/dbraw/zinc/95/55/86/361955586.db2.gz NDZAZJYSAXOEBA-WBVHZDCISA-N 2 1 274.408 2.110 20 0 CEADMP CC[C@H]1C[C@H](C[NH2+]CCCn2cc[nH+]c2C)CCO1 ZINC000337951447 214328385 /nfs/dbraw/zinc/32/83/85/214328385.db2.gz VKHOZGDGHDDFSA-CABCVRRESA-N 2 1 265.401 2.376 20 0 CEADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)C1CCOCC1 ZINC000338012938 214360200 /nfs/dbraw/zinc/36/02/00/214360200.db2.gz BYQBYDUNSCEMFB-OAHLLOKOSA-N 2 1 265.401 2.376 20 0 CEADMP Cc1csc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000130031974 539173839 /nfs/dbraw/zinc/17/38/39/539173839.db2.gz XJFLRVRJRZPVNV-NEPJUHHUSA-N 2 1 253.415 2.066 20 0 CEADMP CC(=O)N1CC[C@@H]([NH2+]CCn2cc[nH+]c2C)c2ccccc21 ZINC000621751174 349692715 /nfs/dbraw/zinc/69/27/15/349692715.db2.gz BHWXKFHXXKBWAE-MRXNPFEDSA-N 2 1 298.390 2.279 20 0 CEADMP CCn1nccc1CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000621775238 349698380 /nfs/dbraw/zinc/69/83/80/349698380.db2.gz JFYIQIKRYDONNH-HZPDHXFCSA-N 2 1 290.455 2.157 20 0 CEADMP COc1ccc(OCCC[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621780165 349700769 /nfs/dbraw/zinc/70/07/69/349700769.db2.gz OBSQGQFDMHCLBS-WMLDXEAASA-N 2 1 290.407 2.277 20 0 CEADMP COc1ccc(OCCC[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621780165 349700774 /nfs/dbraw/zinc/70/07/74/349700774.db2.gz OBSQGQFDMHCLBS-WMLDXEAASA-N 2 1 290.407 2.277 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCCOCc1ccccc1)C2 ZINC000621784149 349702254 /nfs/dbraw/zinc/70/22/54/349702254.db2.gz KQUNZISGLOPTDW-IRXDYDNUSA-N 2 1 274.408 2.407 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC000622004324 349764751 /nfs/dbraw/zinc/76/47/51/349764751.db2.gz NKGLBGYXSGTQAG-WMZOPIPTSA-N 2 1 286.419 2.367 20 0 CEADMP FC(F)(F)Oc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000220222224 539256354 /nfs/dbraw/zinc/25/63/54/539256354.db2.gz WJWXRMZRFPIZHF-RYUDHWBXSA-N 2 1 286.297 2.236 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1c2ccccc2CC[C@H]1CO ZINC000377012806 282206172 /nfs/dbraw/zinc/20/61/72/282206172.db2.gz LMIRCMLTLGOLHB-FUHWJXTLSA-N 2 1 299.418 2.467 20 0 CEADMP CCOc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000401723841 539254445 /nfs/dbraw/zinc/25/44/45/539254445.db2.gz BUYQKBISTQZHRW-UHFFFAOYSA-N 2 1 289.379 2.160 20 0 CEADMP CC(C)CN1CCC([NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000131234889 539259386 /nfs/dbraw/zinc/25/93/86/539259386.db2.gz YLQSHQJPEBDCRO-HNNXBMFYSA-N 2 1 281.488 2.427 20 0 CEADMP Cc1ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)nc1 ZINC000336601501 365703128 /nfs/dbraw/zinc/70/31/28/365703128.db2.gz NRCPIQGMOAMPFD-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000336603844 365706432 /nfs/dbraw/zinc/70/64/32/365706432.db2.gz ITRXYDLSTAPJCZ-CYBMUJFWSA-N 2 1 252.402 2.184 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccn(C)c2)CC1 ZINC000126312123 187231209 /nfs/dbraw/zinc/23/12/09/187231209.db2.gz CLQWOUJLUQBIBZ-UHFFFAOYSA-N 2 1 279.428 2.004 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCCO1 ZINC000311244310 539282698 /nfs/dbraw/zinc/28/26/98/539282698.db2.gz ZKEHFACXTGQRMU-OIYCOIKZSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCO1 ZINC000311244310 539282699 /nfs/dbraw/zinc/28/26/99/539282699.db2.gz ZKEHFACXTGQRMU-OIYCOIKZSA-N 2 1 252.402 2.159 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)cn1 ZINC000126329863 187233212 /nfs/dbraw/zinc/23/32/12/187233212.db2.gz OPYZCNYEJJMGML-IUODEOHRSA-N 2 1 286.379 2.090 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1cc(Br)cs1 ZINC000042398204 362091535 /nfs/dbraw/zinc/09/15/35/362091535.db2.gz CHNUPUCRQIXYIX-UHFFFAOYSA-N 2 1 263.204 2.291 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cc(Br)cs1 ZINC000042398204 362091536 /nfs/dbraw/zinc/09/15/36/362091536.db2.gz CHNUPUCRQIXYIX-UHFFFAOYSA-N 2 1 263.204 2.291 20 0 CEADMP C[C@@H](CO)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000678046230 539286774 /nfs/dbraw/zinc/28/67/74/539286774.db2.gz UGWYATSGZAILSQ-CVEARBPZSA-N 2 1 268.445 2.203 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000262045420 282248823 /nfs/dbraw/zinc/24/88/23/282248823.db2.gz YXMKJLYQXXZLGC-HNNXBMFYSA-N 2 1 299.422 2.055 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000262045420 282248824 /nfs/dbraw/zinc/24/88/24/282248824.db2.gz YXMKJLYQXXZLGC-HNNXBMFYSA-N 2 1 299.422 2.055 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000361170224 282251773 /nfs/dbraw/zinc/25/17/73/282251773.db2.gz XXJMXEIJZJHJAZ-ZIAGYGMSSA-N 2 1 299.422 2.100 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCOCc3ccccc3)C[C@H]12 ZINC000336657398 365751406 /nfs/dbraw/zinc/75/14/06/365751406.db2.gz RKFVHRFCOVCZFJ-IXDOHACOSA-N 2 1 274.408 2.262 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCCOC2)CC1 ZINC000336696146 365763908 /nfs/dbraw/zinc/76/39/08/365763908.db2.gz FFQPJKWRCHCOLP-CQSZACIVSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCc2scnc2C)CC1 ZINC000336700681 365765148 /nfs/dbraw/zinc/76/51/48/365765148.db2.gz HAFNPKWQJUOFNB-UHFFFAOYSA-N 2 1 267.442 2.410 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCc2scnc2C)CC1 ZINC000336700681 365765153 /nfs/dbraw/zinc/76/51/53/365765153.db2.gz HAFNPKWQJUOFNB-UHFFFAOYSA-N 2 1 267.442 2.410 20 0 CEADMP CCOC[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351266837 219088733 /nfs/dbraw/zinc/08/87/33/219088733.db2.gz FQJAQGDSTGFVNE-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCOC[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351266837 219088735 /nfs/dbraw/zinc/08/87/35/219088735.db2.gz FQJAQGDSTGFVNE-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCOC[C@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351266837 219088737 /nfs/dbraw/zinc/08/87/37/219088737.db2.gz FQJAQGDSTGFVNE-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP Cc1cccc2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)n21 ZINC000449557004 282282356 /nfs/dbraw/zinc/28/23/56/282282356.db2.gz PDBJDRQFBICQMP-GOOCMWNKSA-N 2 1 284.407 2.358 20 0 CEADMP Cc1cccc2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)n21 ZINC000449557004 282282362 /nfs/dbraw/zinc/28/23/62/282282362.db2.gz PDBJDRQFBICQMP-GOOCMWNKSA-N 2 1 284.407 2.358 20 0 CEADMP CCc1ncc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cn1 ZINC000414435482 529755170 /nfs/dbraw/zinc/75/51/70/529755170.db2.gz NRXHOAPLFVRBJJ-UHFFFAOYSA-N 2 1 276.428 2.251 20 0 CEADMP CC[C@H]1C[N@@H+](CCCn2ccnc2C)C[C@@H](C)O1 ZINC000336717422 365780134 /nfs/dbraw/zinc/78/01/34/365780134.db2.gz TVGDSLFFIUVNMQ-OCCSQVGLSA-N 2 1 251.374 2.081 20 0 CEADMP CC[C@H]1C[N@@H+](CCCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC000336717422 365780152 /nfs/dbraw/zinc/78/01/52/365780152.db2.gz TVGDSLFFIUVNMQ-OCCSQVGLSA-N 2 1 251.374 2.081 20 0 CEADMP C[C@H]1C[C@H](NCC2([NH+](C)C)CCCC2)C[N@@H+]1C1CC1 ZINC000128597454 365798065 /nfs/dbraw/zinc/79/80/65/365798065.db2.gz SYDIDZSEDMBEJY-KBPBESRZSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]1C[C@H](NCC2([NH+](C)C)CCCC2)C[N@H+]1C1CC1 ZINC000128597454 365798069 /nfs/dbraw/zinc/79/80/69/365798069.db2.gz SYDIDZSEDMBEJY-KBPBESRZSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)[NH+](CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)C(C)C ZINC000081117551 344039655 /nfs/dbraw/zinc/03/96/55/344039655.db2.gz YUXBHFVCPJJFMX-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CCCCNC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835715 343868370 /nfs/dbraw/zinc/86/83/70/343868370.db2.gz BURRQVHCKNNDDJ-INIZCTEOSA-N 2 1 295.471 2.101 20 0 CEADMP C[N@@H+](CCNC(=O)C1([NH3+])CCCCC1)C1CCCCC1 ZINC000165007389 529912537 /nfs/dbraw/zinc/91/25/37/529912537.db2.gz AJJAIDIDLIHJJZ-UHFFFAOYSA-N 2 1 281.444 2.029 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@@H](C)O2)C[C@@H]1C ZINC000336783595 365799353 /nfs/dbraw/zinc/79/93/53/365799353.db2.gz BYDOKTHEDPRBKU-XGUBFFRZSA-N 2 1 254.418 2.359 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[C@@H](C)O2)C[C@@H]1C ZINC000336783595 365799359 /nfs/dbraw/zinc/79/93/59/365799359.db2.gz BYDOKTHEDPRBKU-XGUBFFRZSA-N 2 1 254.418 2.359 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[C@@H](C)O2)C[C@@H]1C ZINC000336783595 365799362 /nfs/dbraw/zinc/79/93/62/365799362.db2.gz BYDOKTHEDPRBKU-XGUBFFRZSA-N 2 1 254.418 2.359 20 0 CEADMP CN(C)c1nc(NC[C@@H](c2cccs2)[NH+](C)C)cc[nH+]1 ZINC000077485929 343921346 /nfs/dbraw/zinc/92/13/46/343921346.db2.gz BOGMGRFSNVZFAV-NSHDSACASA-N 2 1 291.424 2.319 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)s1 ZINC000049182963 362345589 /nfs/dbraw/zinc/34/55/89/362345589.db2.gz MPOMKUHVOVGHGL-OLZOCXBDSA-N 2 1 268.426 2.164 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)[C@H](C)C1 ZINC000090809827 344143594 /nfs/dbraw/zinc/14/35/94/344143594.db2.gz BPUXHZNEDDBRNY-QLFBSQMISA-N 2 1 270.461 2.349 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000091334509 344161832 /nfs/dbraw/zinc/16/18/32/344161832.db2.gz GPSGUCSGOHZNOM-IAGOWNOFSA-N 2 1 276.424 2.430 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000093406048 344222958 /nfs/dbraw/zinc/22/29/58/344222958.db2.gz MZXGJSMJDRNXCB-UKRRQHHQSA-N 2 1 282.453 2.492 20 0 CEADMP NC(=O)C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CCCC1 ZINC000101544846 344249149 /nfs/dbraw/zinc/24/91/49/344249149.db2.gz LYDNQEDEMVHDDJ-UHFFFAOYSA-N 2 1 298.390 2.102 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC3(C(C)C)CC3)C2)CC1 ZINC000602462843 347043071 /nfs/dbraw/zinc/04/30/71/347043071.db2.gz CTLCZXUOCQLBEO-INIZCTEOSA-N 2 1 279.472 2.134 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1)O[C@@H](C)C2 ZINC000132254226 344362899 /nfs/dbraw/zinc/36/28/99/344362899.db2.gz IBSRARFEPXUZJF-XQQFMLRXSA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)O[C@@H](C)C2 ZINC000132254226 344362901 /nfs/dbraw/zinc/36/29/01/344362901.db2.gz IBSRARFEPXUZJF-XQQFMLRXSA-N 2 1 290.407 2.188 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000122900707 344308056 /nfs/dbraw/zinc/30/80/56/344308056.db2.gz NKVQSZOWGRHKSS-KBPBESRZSA-N 2 1 270.417 2.169 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)C(C)(C)O)s1 ZINC000449727439 282344178 /nfs/dbraw/zinc/34/41/78/282344178.db2.gz PVGBVNMYJQGBNT-UHFFFAOYSA-N 2 1 285.457 2.091 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000194034695 344519422 /nfs/dbraw/zinc/51/94/22/344519422.db2.gz BSMOBIBYVIYPFZ-ZJIFWQFVSA-N 2 1 278.440 2.266 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226035191 344548687 /nfs/dbraw/zinc/54/86/87/344548687.db2.gz NKVQSZOWGRHKSS-UONOGXRCSA-N 2 1 270.417 2.169 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc(CC(C)C)s1 ZINC000414850643 529985561 /nfs/dbraw/zinc/98/55/61/529985561.db2.gz ZOOYQXDUGRIXNV-LLVKDONJSA-N 2 1 255.431 2.287 20 0 CEADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCO1 ZINC000351600274 219142107 /nfs/dbraw/zinc/14/21/07/219142107.db2.gz XUIIESHDPWNUQI-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCO1 ZINC000351600274 219142109 /nfs/dbraw/zinc/14/21/09/219142109.db2.gz XUIIESHDPWNUQI-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCCO1 ZINC000351600274 219142112 /nfs/dbraw/zinc/14/21/12/219142112.db2.gz XUIIESHDPWNUQI-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(C)C ZINC000669424852 539403343 /nfs/dbraw/zinc/40/33/43/539403343.db2.gz AGCHWFQOBBUOLY-JALIKCBVSA-N 2 1 254.418 2.262 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2csc(Br)c2)C1 ZINC000306593243 344715146 /nfs/dbraw/zinc/71/51/46/344715146.db2.gz WVFWUOMPGBBKLO-UHFFFAOYSA-N 2 1 261.188 2.090 20 0 CEADMP C[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000355913810 530048222 /nfs/dbraw/zinc/04/82/22/530048222.db2.gz GAARUKPAJZKHOX-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP OCC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000568050987 299113932 /nfs/dbraw/zinc/11/39/32/299113932.db2.gz QRLHNVYAMRNPTD-UHFFFAOYSA-N 2 1 296.414 2.327 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CC(C)C ZINC000568165328 299118644 /nfs/dbraw/zinc/11/86/44/299118644.db2.gz LAYVZWRFISTEBI-LSDHHAIUSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CC(C)C ZINC000568165328 299118647 /nfs/dbraw/zinc/11/86/47/299118647.db2.gz LAYVZWRFISTEBI-LSDHHAIUSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CC(C)C ZINC000568165328 299118649 /nfs/dbraw/zinc/11/86/49/299118649.db2.gz LAYVZWRFISTEBI-LSDHHAIUSA-N 2 1 256.434 2.200 20 0 CEADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)c2nccc(N)n2)CC1 ZINC000568168489 299119146 /nfs/dbraw/zinc/11/91/46/299119146.db2.gz JITJLJKDZMAJFB-ZDUSSCGKSA-N 2 1 291.443 2.002 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nccc(N)n2)CC1 ZINC000568168489 299119149 /nfs/dbraw/zinc/11/91/49/299119149.db2.gz JITJLJKDZMAJFB-ZDUSSCGKSA-N 2 1 291.443 2.002 20 0 CEADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000592430212 345352869 /nfs/dbraw/zinc/35/28/69/345352869.db2.gz RCXSKGGLIOLCIV-GOEBONIOSA-N 2 1 282.428 2.041 20 0 CEADMP COC(=O)c1ccc(Cl)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000592438437 345353299 /nfs/dbraw/zinc/35/32/99/345353299.db2.gz MHPNRRADOSGXLG-ZJUUUORDSA-N 2 1 284.787 2.342 20 0 CEADMP CSC1(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)CCC1 ZINC000592525991 345367760 /nfs/dbraw/zinc/36/77/60/345367760.db2.gz DRIDBAWBLASPCE-UHFFFAOYSA-N 2 1 284.469 2.069 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593730785 345528529 /nfs/dbraw/zinc/52/85/29/345528529.db2.gz GABXBKJPVUCSFQ-UONOGXRCSA-N 2 1 270.417 2.169 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000593730812 345528588 /nfs/dbraw/zinc/52/85/88/345528588.db2.gz HKAOSDSYSKPSQE-WCQYABFASA-N 2 1 296.436 2.484 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000593730812 345528589 /nfs/dbraw/zinc/52/85/89/345528589.db2.gz HKAOSDSYSKPSQE-WCQYABFASA-N 2 1 296.436 2.484 20 0 CEADMP COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCCc1c[nH+]cn1C ZINC000593968846 345557379 /nfs/dbraw/zinc/55/73/79/345557379.db2.gz SEQNTTCVFZIHPB-GDBMZVCRSA-N 2 1 293.411 2.064 20 0 CEADMP COc1nc2ccccc2cc1C[NH2+]CCc1c[nH+]cn1C ZINC000623086207 349933423 /nfs/dbraw/zinc/93/34/23/349933423.db2.gz BWEIHIRQIQQKGA-UHFFFAOYSA-N 2 1 296.374 2.309 20 0 CEADMP COc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1C ZINC000623086142 349933503 /nfs/dbraw/zinc/93/35/03/349933503.db2.gz ZUAUBFZSWNKNCX-UHFFFAOYSA-N 2 1 259.353 2.069 20 0 CEADMP C[C@H]1OCC[N@@H+](CCCCC[NH+]2CCO[C@@H](C)[C@H]2C)[C@@H]1C ZINC000246948539 539480655 /nfs/dbraw/zinc/48/06/55/539480655.db2.gz NVLZNECMNXBIHR-VQHPVUNQSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@H]1OCC[NH+](CCCCC[N@@H+]2CCO[C@@H](C)[C@H]2C)[C@@H]1C ZINC000246948539 539480660 /nfs/dbraw/zinc/48/06/60/539480660.db2.gz NVLZNECMNXBIHR-VQHPVUNQSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@H]1OCC[NH+](CCCCC[N@H+]2CCO[C@@H](C)[C@H]2C)[C@@H]1C ZINC000246948539 539480667 /nfs/dbraw/zinc/48/06/67/539480667.db2.gz NVLZNECMNXBIHR-VQHPVUNQSA-N 2 1 298.471 2.375 20 0 CEADMP CCSC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000595091834 345741645 /nfs/dbraw/zinc/74/16/45/345741645.db2.gz JSSSLMFUUZJRPH-UHFFFAOYSA-N 2 1 254.443 2.489 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000594915010 345700085 /nfs/dbraw/zinc/70/00/85/345700085.db2.gz OLBOPPZXBPPUKY-FVQBIDKESA-N 2 1 296.455 2.428 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)CC1 ZINC000595062700 345737543 /nfs/dbraw/zinc/73/75/43/345737543.db2.gz OGBNHGNJYOHIGX-ZRGWGRIASA-N 2 1 286.485 2.139 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000595887114 345905885 /nfs/dbraw/zinc/90/58/85/345905885.db2.gz ATDFCZUNOHIBIU-XQQFMLRXSA-N 2 1 294.420 2.094 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000595887114 345905888 /nfs/dbraw/zinc/90/58/88/345905888.db2.gz ATDFCZUNOHIBIU-XQQFMLRXSA-N 2 1 294.420 2.094 20 0 CEADMP CCS[C@@H]1CCCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000595884901 345906519 /nfs/dbraw/zinc/90/65/19/345906519.db2.gz IWFIHCKKPJUWFN-ZIAGYGMSSA-N 2 1 284.469 2.115 20 0 CEADMP CCOCC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000336787016 365806189 /nfs/dbraw/zinc/80/61/89/365806189.db2.gz DBOMFIITKFMNQP-HZSPNIEDSA-N 2 1 256.434 2.367 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@H]1CCCCO1 ZINC000230021969 539502248 /nfs/dbraw/zinc/50/22/48/539502248.db2.gz DJUWPLSHRATXPU-MRXNPFEDSA-N 2 1 262.397 2.407 20 0 CEADMP COC(=O)c1oc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1C ZINC000597151011 346136219 /nfs/dbraw/zinc/13/62/19/346136219.db2.gz IIOBDFSKSUZYKA-UHFFFAOYSA-N 2 1 299.330 2.312 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085369446 179039213 /nfs/dbraw/zinc/03/92/13/179039213.db2.gz CRUVABPBQJCNKX-CVEARBPZSA-N 2 1 295.471 2.084 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000599023115 346447460 /nfs/dbraw/zinc/44/74/60/346447460.db2.gz BJTQYNYJCIZKPM-CKUJCDMFSA-N 2 1 294.439 2.325 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000599023115 346447462 /nfs/dbraw/zinc/44/74/62/346447462.db2.gz BJTQYNYJCIZKPM-CKUJCDMFSA-N 2 1 294.439 2.325 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(CC(=O)OC)CC1 ZINC000599026000 346448215 /nfs/dbraw/zinc/44/82/15/346448215.db2.gz HABIVXNPPZLAHZ-NFOMZHRRSA-N 2 1 284.444 2.428 20 0 CEADMP CC1CC[NH+](CCCCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000599312633 346497712 /nfs/dbraw/zinc/49/77/12/346497712.db2.gz SBZRBKGIYSPWJE-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cs1 ZINC000063197877 362760235 /nfs/dbraw/zinc/76/02/35/362760235.db2.gz FURMLVQZNSZQFS-CQSZACIVSA-N 2 1 265.426 2.416 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)[C@@H]1SC ZINC000600191587 346619953 /nfs/dbraw/zinc/61/99/53/346619953.db2.gz RAYWOYJIJYTPGT-XQLPTFJDSA-N 2 1 286.485 2.217 20 0 CEADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC[C@@H]1CCC[NH+]1C ZINC000336799916 365828865 /nfs/dbraw/zinc/82/88/65/365828865.db2.gz KKLBUANYFGCZAM-PMPSAXMXSA-N 2 1 265.445 2.029 20 0 CEADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1CC[C@@H]1CCC[N@@H+]1C ZINC000336799916 365828876 /nfs/dbraw/zinc/82/88/76/365828876.db2.gz KKLBUANYFGCZAM-PMPSAXMXSA-N 2 1 265.445 2.029 20 0 CEADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1CC[C@@H]1CCC[N@H+]1C ZINC000336799916 365828882 /nfs/dbraw/zinc/82/88/82/365828882.db2.gz KKLBUANYFGCZAM-PMPSAXMXSA-N 2 1 265.445 2.029 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600168202 346612499 /nfs/dbraw/zinc/61/24/99/346612499.db2.gz GYRMYHIIPMXCRP-MCIONIFRSA-N 2 1 282.428 2.181 20 0 CEADMP CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000600992586 346728029 /nfs/dbraw/zinc/72/80/29/346728029.db2.gz OVAIVBJGQXEXLG-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2nc(C)no2)C[C@H]1C ZINC000336822955 365875240 /nfs/dbraw/zinc/87/52/40/365875240.db2.gz NNQOWCAAQQGEBI-OCCSQVGLSA-N 2 1 280.416 2.115 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2nc(C)no2)C[C@H]1C ZINC000336822955 365875244 /nfs/dbraw/zinc/87/52/44/365875244.db2.gz NNQOWCAAQQGEBI-OCCSQVGLSA-N 2 1 280.416 2.115 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2nc(C)no2)C[C@H]1C ZINC000336822955 365875246 /nfs/dbraw/zinc/87/52/46/365875246.db2.gz NNQOWCAAQQGEBI-OCCSQVGLSA-N 2 1 280.416 2.115 20 0 CEADMP CN(CC[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000085797448 179172752 /nfs/dbraw/zinc/17/27/52/179172752.db2.gz GPSYYDHEPGHCKR-HNNXBMFYSA-N 2 1 261.413 2.006 20 0 CEADMP COC(=O)[C@@H](C1CC1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109692 347288728 /nfs/dbraw/zinc/28/87/28/347288728.db2.gz DTVASCNREKKTJN-OAHLLOKOSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000568511569 299141021 /nfs/dbraw/zinc/14/10/21/299141021.db2.gz YNMQGOXDZRBHBL-NEPJUHHUSA-N 2 1 258.369 2.292 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000129650499 365882200 /nfs/dbraw/zinc/88/22/00/365882200.db2.gz NUCWACGMCDCUNY-UKRRQHHQSA-N 2 1 290.407 2.073 20 0 CEADMP OC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000459583890 290186469 /nfs/dbraw/zinc/18/64/69/290186469.db2.gz GSEBXRCZFDLOFJ-HNNXBMFYSA-N 2 1 280.456 2.392 20 0 CEADMP CC/C=C\CC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000613449592 348049771 /nfs/dbraw/zinc/04/97/71/348049771.db2.gz FIUUFMWQRQDYLJ-KEGWNNHHSA-N 2 1 279.472 2.443 20 0 CEADMP C[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000614255631 348169656 /nfs/dbraw/zinc/16/96/56/348169656.db2.gz SOQAKXNRIVRAPE-INIZCTEOSA-N 2 1 296.374 2.280 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000614255631 348169661 /nfs/dbraw/zinc/16/96/61/348169661.db2.gz SOQAKXNRIVRAPE-INIZCTEOSA-N 2 1 296.374 2.280 20 0 CEADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000615302589 348310598 /nfs/dbraw/zinc/31/05/98/348310598.db2.gz DJFPDZPGVIWOIG-GDBMZVCRSA-N 2 1 295.471 2.192 20 0 CEADMP c1c[nH]c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000067667160 362916800 /nfs/dbraw/zinc/91/68/00/362916800.db2.gz WRTDJMAZYOOEQB-UHFFFAOYSA-N 2 1 270.380 2.295 20 0 CEADMP FC(F)Oc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357061227 233001819 /nfs/dbraw/zinc/00/18/19/233001819.db2.gz ZUWWTBYSUMXYCI-CHWSQXEVSA-N 2 1 282.334 2.329 20 0 CEADMP FC(F)Oc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357061227 233001820 /nfs/dbraw/zinc/00/18/20/233001820.db2.gz ZUWWTBYSUMXYCI-CHWSQXEVSA-N 2 1 282.334 2.329 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339075598 539658324 /nfs/dbraw/zinc/65/83/24/539658324.db2.gz PRXLKULUYORYKI-IRXDYDNUSA-N 3 1 279.472 2.325 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CC1(C)CCCC1 ZINC000617507824 348718375 /nfs/dbraw/zinc/71/83/75/348718375.db2.gz KIXONIIOGRAICM-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CC1(C)CCCC1 ZINC000617507824 348718380 /nfs/dbraw/zinc/71/83/80/348718380.db2.gz KIXONIIOGRAICM-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000617506752 348718767 /nfs/dbraw/zinc/71/87/67/348718767.db2.gz YFCSRKYEYLWEPE-LSDHHAIUSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000617506752 348718772 /nfs/dbraw/zinc/71/87/72/348718772.db2.gz YFCSRKYEYLWEPE-LSDHHAIUSA-N 2 1 297.487 2.201 20 0 CEADMP Cc1cccnc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000357393108 233062298 /nfs/dbraw/zinc/06/22/98/233062298.db2.gz WKOUIUKBNBKFPX-HYVNUMGLSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cccnc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000357393108 233062300 /nfs/dbraw/zinc/06/23/00/233062300.db2.gz WKOUIUKBNBKFPX-HYVNUMGLSA-N 2 1 289.423 2.074 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000339226737 539662158 /nfs/dbraw/zinc/66/21/58/539662158.db2.gz FFOLVLYNNTUKFR-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088290064 539670942 /nfs/dbraw/zinc/67/09/42/539670942.db2.gz BCOSEOIWEVRWIT-HNSVSWJLSA-N 2 1 295.471 2.129 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000400498790 233179147 /nfs/dbraw/zinc/17/91/47/233179147.db2.gz GKUVVCKRNCUMSF-UOVPBQLFSA-N 2 1 287.451 2.380 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](C)C(C)(C)C)C2)CC1 ZINC000619844307 349239809 /nfs/dbraw/zinc/23/98/09/349239809.db2.gz QXUOBPNTTWWXTI-HZPDHXFCSA-N 2 1 281.488 2.380 20 0 CEADMP OC[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411280303 233234212 /nfs/dbraw/zinc/23/42/12/233234212.db2.gz DRUYEOPEEWEIQA-SFHVURJKSA-N 2 1 288.435 2.487 20 0 CEADMP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623483785 350031518 /nfs/dbraw/zinc/03/15/18/350031518.db2.gz RIDFVTJYSCUKRY-BFHYXJOUSA-N 2 1 254.418 2.264 20 0 CEADMP CN(C)c1c(CNC[C@@H]2CCC[N@@H+]2C)ccc(F)c1F ZINC000623377378 350003523 /nfs/dbraw/zinc/00/35/23/350003523.db2.gz XHXMWLYSIVRGNS-LBPRGKRZSA-N 2 1 283.366 2.215 20 0 CEADMP CN(C)c1c(CNC[C@@H]2CCC[N@H+]2C)ccc(F)c1F ZINC000623377378 350003528 /nfs/dbraw/zinc/00/35/28/350003528.db2.gz XHXMWLYSIVRGNS-LBPRGKRZSA-N 2 1 283.366 2.215 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1O ZINC000623394867 350007852 /nfs/dbraw/zinc/00/78/52/350007852.db2.gz VSCYZCPPBXXCRB-CYBMUJFWSA-N 2 1 278.396 2.363 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1O ZINC000623394867 350007855 /nfs/dbraw/zinc/00/78/55/350007855.db2.gz VSCYZCPPBXXCRB-CYBMUJFWSA-N 2 1 278.396 2.363 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOCC2CCOCC2)CC1(C)C ZINC000623427468 350017789 /nfs/dbraw/zinc/01/77/89/350017789.db2.gz AQWQGLRNHYLSFN-INIZCTEOSA-N 2 1 298.471 2.282 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623438259 350020018 /nfs/dbraw/zinc/02/00/18/350020018.db2.gz SICHJNZJNPHWLF-HOCLYGCPSA-N 2 1 276.424 2.491 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623438259 350020022 /nfs/dbraw/zinc/02/00/22/350020022.db2.gz SICHJNZJNPHWLF-HOCLYGCPSA-N 2 1 276.424 2.491 20 0 CEADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623440801 350021459 /nfs/dbraw/zinc/02/14/59/350021459.db2.gz LISZJIMITDDCHK-UKRRQHHQSA-N 2 1 261.413 2.475 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCCO)CC1(C)C ZINC000623482412 350030575 /nfs/dbraw/zinc/03/05/75/350030575.db2.gz QJGZODAEAWJMPC-ZDUSSCGKSA-N 2 1 256.434 2.248 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCOCC2CCC2)CC1(C)C ZINC000623493886 350034033 /nfs/dbraw/zinc/03/40/33/350034033.db2.gz VGGXGSYWEZNMLZ-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CC[C@@H](NC[C@H]2CCCC[NH+]2C2CC2)CC1(C)C ZINC000623508134 350037328 /nfs/dbraw/zinc/03/73/28/350037328.db2.gz KPZIWRBFTQQTOK-GDBMZVCRSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@H]2CCCC[N@@H+]2C2CC2)CC1(C)C ZINC000623508134 350037330 /nfs/dbraw/zinc/03/73/30/350037330.db2.gz KPZIWRBFTQQTOK-GDBMZVCRSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@H]2CCCC[N@H+]2C2CC2)CC1(C)C ZINC000623508134 350037333 /nfs/dbraw/zinc/03/73/33/350037333.db2.gz KPZIWRBFTQQTOK-GDBMZVCRSA-N 2 1 279.472 2.466 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCCN2C2CC2)CC1(C)C ZINC000623508134 350037335 /nfs/dbraw/zinc/03/73/35/350037335.db2.gz KPZIWRBFTQQTOK-GDBMZVCRSA-N 2 1 279.472 2.466 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCCN2C2CC2)CC1(C)C ZINC000623508134 350037337 /nfs/dbraw/zinc/03/73/37/350037337.db2.gz KPZIWRBFTQQTOK-GDBMZVCRSA-N 2 1 279.472 2.466 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CC1(C)C ZINC000623508559 350037680 /nfs/dbraw/zinc/03/76/80/350037680.db2.gz AMVZEJIOSGGZMC-OAHLLOKOSA-N 3 1 279.472 2.323 20 0 CEADMP CN1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CC1(C)C ZINC000623508559 350037685 /nfs/dbraw/zinc/03/76/85/350037685.db2.gz AMVZEJIOSGGZMC-OAHLLOKOSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CC1(C)C ZINC000623539141 350044962 /nfs/dbraw/zinc/04/49/62/350044962.db2.gz BREPGGQMJMBJTD-XHSDSOJGSA-N 2 1 280.456 2.246 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623552782 350048619 /nfs/dbraw/zinc/04/86/19/350048619.db2.gz WDZRFZGRLGQURT-MELADBBJSA-N 2 1 254.418 2.406 20 0 CEADMP CCC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623558992 350050163 /nfs/dbraw/zinc/05/01/63/350050163.db2.gz PIIVUHZXZFRMLN-BFHYXJOUSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)O1 ZINC000623570217 350053411 /nfs/dbraw/zinc/05/34/11/350053411.db2.gz LEEADJJKNVZYLB-MCIONIFRSA-N 2 1 254.418 2.406 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)CC1(C)C ZINC000623573450 350054259 /nfs/dbraw/zinc/05/42/59/350054259.db2.gz JAOHYWIALNOTDW-LBPRGKRZSA-N 2 1 290.398 2.389 20 0 CEADMP Cc1ncsc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090714572 180028521 /nfs/dbraw/zinc/02/85/21/180028521.db2.gz VCGGXLRKCOPXCN-NWDGAFQWSA-N 2 1 251.399 2.168 20 0 CEADMP Cc1ncsc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090714572 180028522 /nfs/dbraw/zinc/02/85/22/180028522.db2.gz VCGGXLRKCOPXCN-NWDGAFQWSA-N 2 1 251.399 2.168 20 0 CEADMP C[N@@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1cccc(F)c1 ZINC000090694222 180026038 /nfs/dbraw/zinc/02/60/38/180026038.db2.gz HCGKYLOJPZKFDB-UHFFFAOYSA-N 2 1 293.386 2.086 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000090846396 180044736 /nfs/dbraw/zinc/04/47/36/180044736.db2.gz VKRONKAMWMEBPV-HEHGZKQESA-N 2 1 292.471 2.363 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000090846396 180044739 /nfs/dbraw/zinc/04/47/39/180044739.db2.gz VKRONKAMWMEBPV-HEHGZKQESA-N 2 1 292.471 2.363 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000090720168 180030270 /nfs/dbraw/zinc/03/02/70/180030270.db2.gz ZORRZQYXXDHPAE-GXTWGEPZSA-N 2 1 276.380 2.030 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000090720168 180030271 /nfs/dbraw/zinc/03/02/71/180030271.db2.gz ZORRZQYXXDHPAE-GXTWGEPZSA-N 2 1 276.380 2.030 20 0 CEADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000623960608 350155940 /nfs/dbraw/zinc/15/59/40/350155940.db2.gz BGWAGSYGJJBDTD-IRXDYDNUSA-N 2 1 276.424 2.054 20 0 CEADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000623960608 350155945 /nfs/dbraw/zinc/15/59/45/350155945.db2.gz BGWAGSYGJJBDTD-IRXDYDNUSA-N 2 1 276.424 2.054 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCCO1 ZINC000623999207 350166449 /nfs/dbraw/zinc/16/64/49/350166449.db2.gz NPMZZFKYVOSPMY-KKUMJFAQSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2CCCC[NH+](C)C2)[C@H](C)C1 ZINC000624120598 350199065 /nfs/dbraw/zinc/19/90/65/350199065.db2.gz CEFGODQWXONWJJ-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCCC[N@H+](C)C2)[C@H](C)C1 ZINC000624120598 350199067 /nfs/dbraw/zinc/19/90/67/350199067.db2.gz CEFGODQWXONWJJ-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCCC[N@@H+](C)C2)[C@H](C)C1 ZINC000624120598 350199068 /nfs/dbraw/zinc/19/90/68/350199068.db2.gz CEFGODQWXONWJJ-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)[C@H](C)C1 ZINC000624120598 350199069 /nfs/dbraw/zinc/19/90/69/350199069.db2.gz CEFGODQWXONWJJ-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)[C@H](C)C1 ZINC000624120598 350199070 /nfs/dbraw/zinc/19/90/70/350199070.db2.gz CEFGODQWXONWJJ-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)[C@H](C)C1 ZINC000624120598 350199072 /nfs/dbraw/zinc/19/90/72/350199072.db2.gz CEFGODQWXONWJJ-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@H](C)C1 ZINC000624120598 350199073 /nfs/dbraw/zinc/19/90/73/350199073.db2.gz CEFGODQWXONWJJ-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc2c1OCO2 ZINC000105443126 186056824 /nfs/dbraw/zinc/05/68/24/186056824.db2.gz PLLNGYHHHXNLRY-LBPRGKRZSA-N 2 1 287.363 2.346 20 0 CEADMP CC(C)[C@]1(CO)CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000339710267 215311796 /nfs/dbraw/zinc/31/17/96/215311796.db2.gz IBEKSSUXHYAWLE-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)[C@]1(CO)CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000339710267 215311799 /nfs/dbraw/zinc/31/17/99/215311799.db2.gz IBEKSSUXHYAWLE-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)[C@]1(CO)CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000339710267 215311801 /nfs/dbraw/zinc/31/18/01/215311801.db2.gz IBEKSSUXHYAWLE-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C(C)C)C1(CO)CCC1 ZINC000339729408 215317376 /nfs/dbraw/zinc/31/73/76/215317376.db2.gz XIXVKOMCSFLRSX-OAHLLOKOSA-N 2 1 279.428 2.358 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](CCOC(C)(C)C)CC1 ZINC000105876748 186082466 /nfs/dbraw/zinc/08/24/66/186082466.db2.gz ZOFZHWNPDOSARC-UHFFFAOYSA-N 2 1 279.428 2.490 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](CCc2ccncc2)CC1 ZINC000105918368 186089245 /nfs/dbraw/zinc/08/92/45/186089245.db2.gz WHUHJIUECJNAAS-UHFFFAOYSA-N 2 1 284.407 2.312 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c2ccccc2n1 ZINC000092345941 180366692 /nfs/dbraw/zinc/36/66/92/180366692.db2.gz DPAMHSVPEBDTGJ-CYBMUJFWSA-N 2 1 255.365 2.324 20 0 CEADMP CCc1nn(C)cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000092365108 180369321 /nfs/dbraw/zinc/36/93/21/180369321.db2.gz RSHRDKJCIKIIOD-UHFFFAOYSA-N 2 1 278.444 2.381 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868259 186145140 /nfs/dbraw/zinc/14/51/40/186145140.db2.gz CGLMQXMJVCODMU-IAGOWNOFSA-N 2 1 287.407 2.361 20 0 CEADMP CC(C)(C)n1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000107775456 186190097 /nfs/dbraw/zinc/19/00/97/186190097.db2.gz BAQBGGPMKFPYOR-HUUCEWRRSA-N 2 1 276.428 2.355 20 0 CEADMP CC(C)(C)n1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000107775456 186190098 /nfs/dbraw/zinc/19/00/98/186190098.db2.gz BAQBGGPMKFPYOR-HUUCEWRRSA-N 2 1 276.428 2.355 20 0 CEADMP Cc1ccc(C)c(OCCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107578938 186180717 /nfs/dbraw/zinc/18/07/17/186180717.db2.gz WDAHAHUFPFOTOV-IYBDPMFKSA-N 2 1 274.408 2.224 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000110115599 186285840 /nfs/dbraw/zinc/28/58/40/186285840.db2.gz GUTWNCCAXQAFJZ-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000110115599 186285842 /nfs/dbraw/zinc/28/58/42/186285842.db2.gz GUTWNCCAXQAFJZ-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP CCN(C)C(=O)C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062133 350645232 /nfs/dbraw/zinc/64/52/32/350645232.db2.gz IXWNRJDLPMRQSR-UHFFFAOYSA-N 2 1 291.439 2.048 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@]2(C)CCCS2)CCCO1 ZINC000628253174 351028926 /nfs/dbraw/zinc/02/89/26/351028926.db2.gz WZLVUMVFORXAAO-GJZGRUSLSA-N 2 1 286.485 2.363 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)CCCS1 ZINC000628328429 351065937 /nfs/dbraw/zinc/06/59/37/351065937.db2.gz MWQAMBRFTBYFLY-HOTGVXAUSA-N 2 1 298.496 2.459 20 0 CEADMP CCc1nc(C)c([C@H](C)[NH2+]CC2([NH3+])CCOCC2)s1 ZINC000629522008 351387313 /nfs/dbraw/zinc/38/73/13/351387313.db2.gz VIAUCFVSAKQMBZ-JTQLQIEISA-N 2 1 283.441 2.172 20 0 CEADMP CC(C)C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccn1 ZINC000629523373 351388807 /nfs/dbraw/zinc/38/88/07/351388807.db2.gz FVTAMALUQYFRPJ-OAHLLOKOSA-N 2 1 277.412 2.266 20 0 CEADMP C[C@H](N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629545776 351406069 /nfs/dbraw/zinc/40/60/69/351406069.db2.gz RDBUVEZAMMQBCA-CWLKWCNXSA-N 2 1 287.451 2.237 20 0 CEADMP CCO[C@@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000629536407 351399966 /nfs/dbraw/zinc/39/99/66/351399966.db2.gz JZBJCDFVZMVYBW-CABCVRRESA-N 2 1 254.418 2.299 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C[NH2+]1 ZINC000629541758 351402791 /nfs/dbraw/zinc/40/27/91/351402791.db2.gz VGUATHWHMVPWHM-JKJDWNRSSA-N 2 1 266.429 2.312 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C[NH2+]1 ZINC000629397114 351350792 /nfs/dbraw/zinc/35/07/92/351350792.db2.gz SRIVWRUCVIYUMT-ZBFHGGJFSA-N 2 1 273.424 2.386 20 0 CEADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000629407633 351354560 /nfs/dbraw/zinc/35/45/60/351354560.db2.gz GFEOCRQCHXDUPI-CUOATXAZSA-N 2 1 250.773 2.147 20 0 CEADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407326 351354854 /nfs/dbraw/zinc/35/48/54/351354854.db2.gz XTRWTAIPMZJIJD-TYNCELHUSA-N 2 1 250.361 2.487 20 0 CEADMP COc1c(C)cnc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1C ZINC000070074149 363027460 /nfs/dbraw/zinc/02/74/60/363027460.db2.gz GWJKBQAGSLGZCD-CQSZACIVSA-N 2 1 277.412 2.268 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070074706 363027776 /nfs/dbraw/zinc/02/77/76/363027776.db2.gz LSCOBCHXSPLZAH-PWSUYJOCSA-N 2 1 253.415 2.053 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCOc3ccccc32)C[NH2+]1 ZINC000629418410 351357252 /nfs/dbraw/zinc/35/72/52/351357252.db2.gz XYNGWUZAVWZDCO-HZSPNIEDSA-N 2 1 260.381 2.283 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C[NH2+]1 ZINC000629543238 351404010 /nfs/dbraw/zinc/40/40/10/351404010.db2.gz WLQUGDSSLQMAJH-LYYZXLFJSA-N 2 1 266.429 2.312 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC1=Cc2ccccc2OC1 ZINC000629647441 351446299 /nfs/dbraw/zinc/44/62/99/351446299.db2.gz VDEJVULVLMDNNA-CHWSQXEVSA-N 2 1 258.365 2.132 20 0 CEADMP Cn1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000629650135 351448583 /nfs/dbraw/zinc/44/85/83/351448583.db2.gz OZMOLSVJHLMFLI-INIZCTEOSA-N 2 1 261.413 2.237 20 0 CEADMP COCC(C)(C)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629652458 351450007 /nfs/dbraw/zinc/45/00/07/351450007.db2.gz ATNVHKCXWQIOCJ-MNOVXSKESA-N 2 1 282.350 2.118 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCc3c(O)cccc3C2)CC[NH2+]1 ZINC000629663635 351456192 /nfs/dbraw/zinc/45/61/92/351456192.db2.gz IOVQAHWKTGAZNM-STQMWFEESA-N 2 1 260.381 2.138 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1cccc(-c2cccnc2)c1 ZINC000629664841 351456960 /nfs/dbraw/zinc/45/69/60/351456960.db2.gz SMCFSZGMIWHBCR-UHFFFAOYSA-N 2 1 285.391 2.156 20 0 CEADMP CC(C)[C@H](C[N@@H+](C)CCOCC[NH3+])c1ccccc1 ZINC000629666626 351457786 /nfs/dbraw/zinc/45/77/86/351457786.db2.gz URKPXYLPAGGNFB-INIZCTEOSA-N 2 1 264.413 2.333 20 0 CEADMP Cc1cnccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000629549155 351408912 /nfs/dbraw/zinc/40/89/12/351408912.db2.gz QTDJLBFCANPJPJ-GVDBMIGSSA-N 2 1 289.423 2.251 20 0 CEADMP CC(C)COCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560994 351415005 /nfs/dbraw/zinc/41/50/05/351415005.db2.gz GJWZUMSSTNFNFX-NWDGAFQWSA-N 2 1 282.350 2.118 20 0 CEADMP CC(C)COCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560994 351415007 /nfs/dbraw/zinc/41/50/07/351415007.db2.gz GJWZUMSSTNFNFX-NWDGAFQWSA-N 2 1 282.350 2.118 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC000629572456 351419007 /nfs/dbraw/zinc/41/90/07/351419007.db2.gz TXUXCPNTVRDSGT-OAHLLOKOSA-N 2 1 282.815 2.495 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000629570661 351419603 /nfs/dbraw/zinc/41/96/03/351419603.db2.gz FSTNJYFDNBTFOF-MRXNPFEDSA-N 2 1 262.397 2.232 20 0 CEADMP O[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000629581969 351422029 /nfs/dbraw/zinc/42/20/29/351422029.db2.gz KSTMPAJETGNGDV-DAXOMENPSA-N 2 1 294.826 2.447 20 0 CEADMP CCCNc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629581611 351422275 /nfs/dbraw/zinc/42/22/75/351422275.db2.gz DOCUHHRNCDFWIS-QGZVFWFLSA-N 2 1 291.439 2.055 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCOc1ccc(F)cc1 ZINC000070149982 363038833 /nfs/dbraw/zinc/03/88/33/363038833.db2.gz GPQDOWFGDZNTGB-AWEZNQCLSA-N 2 1 266.360 2.408 20 0 CEADMP COc1ccc(OCC[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000070150136 363038879 /nfs/dbraw/zinc/03/88/79/363038879.db2.gz FXMPRPGQAVYWTK-AWEZNQCLSA-N 2 1 278.396 2.277 20 0 CEADMP CC[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629962120 351557463 /nfs/dbraw/zinc/55/74/63/351557463.db2.gz IQHCKZPNIFDJHV-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(Cl)cnn1C ZINC000131192689 366028766 /nfs/dbraw/zinc/02/87/66/366028766.db2.gz JIIYCEDNNBHPMZ-SNVBAGLBSA-N 2 1 281.791 2.004 20 0 CEADMP Cc1cnn(C)c1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000352256828 219384144 /nfs/dbraw/zinc/38/41/44/219384144.db2.gz MVPFNZLODFWSOI-UHFFFAOYSA-N 2 1 278.444 2.473 20 0 CEADMP Cc1cnn(C)c1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000352256828 219384146 /nfs/dbraw/zinc/38/41/46/219384146.db2.gz MVPFNZLODFWSOI-UHFFFAOYSA-N 2 1 278.444 2.473 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc2cccnc21 ZINC000131529539 366062854 /nfs/dbraw/zinc/06/28/54/366062854.db2.gz QBCADYYMWYFFPF-OLZOCXBDSA-N 2 1 255.365 2.404 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](C[C@H](C)O)CC1)CC1CC1 ZINC000337177277 366054728 /nfs/dbraw/zinc/05/47/28/366054728.db2.gz JMUXFASMFCDGNR-AWEZNQCLSA-N 2 1 268.445 2.201 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000131721608 366080432 /nfs/dbraw/zinc/08/04/32/366080432.db2.gz GAJDEXBHDQMTFZ-NEPJUHHUSA-N 2 1 295.814 2.338 20 0 CEADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000122951935 187062503 /nfs/dbraw/zinc/06/25/03/187062503.db2.gz AKRUNFNVNSGUGD-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+](CCC[NH3+])CCCOc1ccc(Cl)cc1 ZINC000123320355 187084658 /nfs/dbraw/zinc/08/46/58/187084658.db2.gz QSLSJDCHLJFUTQ-UHFFFAOYSA-N 2 1 256.777 2.390 20 0 CEADMP CCn1ccnc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123561945 187098933 /nfs/dbraw/zinc/09/89/33/187098933.db2.gz DPKWKZUMUXANEN-UHFFFAOYSA-N 2 1 278.444 2.457 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000631035545 351930939 /nfs/dbraw/zinc/93/09/39/351930939.db2.gz LISHLZKUODWEMM-UHFFFAOYSA-N 2 1 275.396 2.221 20 0 CEADMP C[N@H+]1CCC[C@H](CNCc2ccc(C(F)F)nc2)C1 ZINC000631067989 351946714 /nfs/dbraw/zinc/94/67/14/351946714.db2.gz DRADLVPEARCTJQ-GFCCVEGCSA-N 2 1 269.339 2.451 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(F)F)nc2)C1 ZINC000631067989 351946718 /nfs/dbraw/zinc/94/67/18/351946718.db2.gz DRADLVPEARCTJQ-GFCCVEGCSA-N 2 1 269.339 2.451 20 0 CEADMP Cc1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1 ZINC000631178382 352002365 /nfs/dbraw/zinc/00/23/65/352002365.db2.gz RICZMURUSIOSJH-MRXNPFEDSA-N 2 1 292.398 2.477 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H](O)c1c(F)cccc1F ZINC000271473041 191158491 /nfs/dbraw/zinc/15/84/91/191158491.db2.gz JGOMQQJIPLDRCX-HOCLYGCPSA-N 2 1 298.377 2.461 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000271564855 191215386 /nfs/dbraw/zinc/21/53/86/191215386.db2.gz UVZGDYPIPBRZGY-XYPHTWIQSA-N 2 1 294.414 2.049 20 0 CEADMP Oc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250063545 539963608 /nfs/dbraw/zinc/96/36/08/539963608.db2.gz VEXXPPBUNGGMCR-GOEBONIOSA-N 2 1 260.381 2.356 20 0 CEADMP Oc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250063545 539963611 /nfs/dbraw/zinc/96/36/11/539963611.db2.gz VEXXPPBUNGGMCR-GOEBONIOSA-N 2 1 260.381 2.356 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)CCO2)C[C@H]1CCC[NH+](C)C1 ZINC000152448308 188019709 /nfs/dbraw/zinc/01/97/09/188019709.db2.gz GTFJILXZIKSXRT-HNNXBMFYSA-N 2 1 274.408 2.395 20 0 CEADMP C[NH+](Cc1ccc2c(c1)CCO2)C[C@H]1CCC[N@H+](C)C1 ZINC000152448308 188019710 /nfs/dbraw/zinc/01/97/10/188019710.db2.gz GTFJILXZIKSXRT-HNNXBMFYSA-N 2 1 274.408 2.395 20 0 CEADMP C[NH+](Cc1ccc2c(c1)CCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000152448308 188019712 /nfs/dbraw/zinc/01/97/12/188019712.db2.gz GTFJILXZIKSXRT-HNNXBMFYSA-N 2 1 274.408 2.395 20 0 CEADMP Cn1c2ccccc2nc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154684518 188158002 /nfs/dbraw/zinc/15/80/02/188158002.db2.gz YHFBWHUVHNAJKX-UHFFFAOYSA-N 2 1 286.423 2.347 20 0 CEADMP CC[C@H]1C[N@@H+](CCc2ccc(OC)cc2)CC[C@H]1[NH3+] ZINC000251620271 539981530 /nfs/dbraw/zinc/98/15/30/539981530.db2.gz DZKURYXZMNYYOW-GOEBONIOSA-N 2 1 262.397 2.297 20 0 CEADMP COc1cccc(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000154958711 188172698 /nfs/dbraw/zinc/17/26/98/188172698.db2.gz DMICPNKLIZQNKW-LSDHHAIUSA-N 2 1 292.423 2.489 20 0 CEADMP COc1cccc(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000154958711 188172699 /nfs/dbraw/zinc/17/26/99/188172699.db2.gz DMICPNKLIZQNKW-LSDHHAIUSA-N 2 1 292.423 2.489 20 0 CEADMP COc1cccc(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000154958711 188172701 /nfs/dbraw/zinc/17/27/01/188172701.db2.gz DMICPNKLIZQNKW-LSDHHAIUSA-N 2 1 292.423 2.489 20 0 CEADMP COc1cccc(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000154958711 188172702 /nfs/dbraw/zinc/17/27/02/188172702.db2.gz DMICPNKLIZQNKW-LSDHHAIUSA-N 2 1 292.423 2.489 20 0 CEADMP CC[C@H]1C[N@@H+](CCOc2cccc(C)c2)CC[C@H]1[NH3+] ZINC000251699537 539989143 /nfs/dbraw/zinc/98/91/43/539989143.db2.gz IWQNFZYEEPWBHO-GOEBONIOSA-N 2 1 262.397 2.433 20 0 CEADMP CC[C@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CC[C@H]1[NH3+] ZINC000251841076 539992434 /nfs/dbraw/zinc/99/24/34/539992434.db2.gz QUQMQYLNCWARSO-UONOGXRCSA-N 2 1 277.412 2.266 20 0 CEADMP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)CC(C)C ZINC000494882932 291002590 /nfs/dbraw/zinc/00/25/90/291002590.db2.gz MFJZZNJAMIZQAN-HUUCEWRRSA-N 2 1 297.487 2.390 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCOc2ccccc21 ZINC000252833175 540008810 /nfs/dbraw/zinc/00/88/10/540008810.db2.gz OPJPDUUKWHNJBH-MGPQQGTHSA-N 2 1 260.381 2.364 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)[C@H]1C ZINC000495000032 291011147 /nfs/dbraw/zinc/01/11/47/291011147.db2.gz SZELDDQXKGVTIE-APIJFGDWSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)[C@H]1C ZINC000495000032 291011150 /nfs/dbraw/zinc/01/11/50/291011150.db2.gz SZELDDQXKGVTIE-APIJFGDWSA-N 2 1 254.418 2.121 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)CC1 ZINC000271725136 191291437 /nfs/dbraw/zinc/29/14/37/191291437.db2.gz QZAQRBOSGIPBLU-MLGOLLRUSA-N 2 1 280.387 2.322 20 0 CEADMP COc1cc(C)c(C[NH2+]CCCn2cc[nH+]c2C)c(C)n1 ZINC000337948280 366187682 /nfs/dbraw/zinc/18/76/82/366187682.db2.gz WOJXIFRGSYPRQF-UHFFFAOYSA-N 2 1 288.395 2.392 20 0 CEADMP COc1ccc(Br)cc1C[N@H+](C)CCC[NH3+] ZINC000133201493 366203977 /nfs/dbraw/zinc/20/39/77/366203977.db2.gz GSJTWEZMFMSTIF-UHFFFAOYSA-N 2 1 287.201 2.238 20 0 CEADMP COc1ccc(Br)cc1C[N@@H+](C)CCC[NH3+] ZINC000133201493 366203984 /nfs/dbraw/zinc/20/39/84/366203984.db2.gz GSJTWEZMFMSTIF-UHFFFAOYSA-N 2 1 287.201 2.238 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C ZINC000451604289 283048166 /nfs/dbraw/zinc/04/81/66/283048166.db2.gz YICZQJVHXTZYMD-CVEARBPZSA-N 2 1 281.444 2.460 20 0 CEADMP CCC[N@@H+](C)CC(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000345883095 283053402 /nfs/dbraw/zinc/05/34/02/283053402.db2.gz JQHMICQJTWFGKQ-UHFFFAOYSA-N 2 1 297.487 2.441 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(F)ccc2F)CC1 ZINC000271832748 191356220 /nfs/dbraw/zinc/35/62/20/191356220.db2.gz PDAPZHMITUZXJG-UHFFFAOYSA-N 2 1 252.308 2.316 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)ccc21 ZINC000271817318 191345483 /nfs/dbraw/zinc/34/54/83/191345483.db2.gz MWKKVOHZQHPFNR-DOTOQJQBSA-N 2 1 298.434 2.489 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)ccc21 ZINC000271817318 191345486 /nfs/dbraw/zinc/34/54/86/191345486.db2.gz MWKKVOHZQHPFNR-DOTOQJQBSA-N 2 1 298.434 2.489 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)ccc21 ZINC000271817318 191345488 /nfs/dbraw/zinc/34/54/88/191345488.db2.gz MWKKVOHZQHPFNR-DOTOQJQBSA-N 2 1 298.434 2.489 20 0 CEADMP COc1ccsc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271821045 191349328 /nfs/dbraw/zinc/34/93/28/191349328.db2.gz MUXPXTKQIQUCTR-UHFFFAOYSA-N 2 1 252.383 2.108 20 0 CEADMP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000178957578 542253332 /nfs/dbraw/zinc/25/33/32/542253332.db2.gz OKNOABVVFGUDSF-FVQBIDKESA-N 2 1 276.428 2.044 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178957578 542253338 /nfs/dbraw/zinc/25/33/38/542253338.db2.gz OKNOABVVFGUDSF-FVQBIDKESA-N 3 1 276.428 2.044 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000178957578 542253342 /nfs/dbraw/zinc/25/33/42/542253342.db2.gz OKNOABVVFGUDSF-FVQBIDKESA-N 3 1 276.428 2.044 20 0 CEADMP C1CC[NH+]([C@@H]2CCC[N@H+]([C@@H]3CCCOC3)CC2)C1 ZINC000674302401 540237601 /nfs/dbraw/zinc/23/76/01/540237601.db2.gz MPWNEWISMVEISP-HUUCEWRRSA-N 2 1 252.402 2.116 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000452062139 283174109 /nfs/dbraw/zinc/17/41/09/283174109.db2.gz RMKHMWAPUJDWTI-HLPPOEQASA-N 2 1 268.445 2.246 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000452062139 283174113 /nfs/dbraw/zinc/17/41/13/283174113.db2.gz RMKHMWAPUJDWTI-HLPPOEQASA-N 2 1 268.445 2.246 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194066627 283173336 /nfs/dbraw/zinc/17/33/36/283173336.db2.gz PTIDFVUFFGNCHR-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194066627 283173337 /nfs/dbraw/zinc/17/33/37/283173337.db2.gz PTIDFVUFFGNCHR-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338280071 366269383 /nfs/dbraw/zinc/26/93/83/366269383.db2.gz PAOMZAVHGXTUHW-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338280071 366269384 /nfs/dbraw/zinc/26/93/84/366269384.db2.gz PAOMZAVHGXTUHW-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP [NH3+]CCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000415117276 540250667 /nfs/dbraw/zinc/25/06/67/540250667.db2.gz WWKZZPQHGRGGAD-LLVKDONJSA-N 2 1 280.334 2.016 20 0 CEADMP CC1([NH2+]Cc2scnc2C2CC2)CC[NH2+]CC1 ZINC000414948772 540248468 /nfs/dbraw/zinc/24/84/68/540248468.db2.gz ZBAAFYSKLOSTBR-UHFFFAOYSA-N 2 1 251.399 2.252 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCO[C@@H]2CCCCO2)CC[N@@H+]1C ZINC000338305245 366284320 /nfs/dbraw/zinc/28/43/20/366284320.db2.gz LFPPXTSYYSQTEB-OWCLPIDISA-N 2 1 284.444 2.334 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCO[C@@H]2CCCCO2)CC[N@H+]1C ZINC000338305245 366284323 /nfs/dbraw/zinc/28/43/23/366284323.db2.gz LFPPXTSYYSQTEB-OWCLPIDISA-N 2 1 284.444 2.334 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCCO[C@@H]2CCCCO2)CC[NH+]1C ZINC000338305245 366284327 /nfs/dbraw/zinc/28/43/27/366284327.db2.gz LFPPXTSYYSQTEB-OWCLPIDISA-N 2 1 284.444 2.334 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCO[C@@H]2CCCCO2)CC[NH+]1C ZINC000338305245 366284329 /nfs/dbraw/zinc/28/43/29/366284329.db2.gz LFPPXTSYYSQTEB-OWCLPIDISA-N 2 1 284.444 2.334 20 0 CEADMP CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338310778 366287701 /nfs/dbraw/zinc/28/77/01/366287701.db2.gz BTXXMPVAPYAQOR-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338310778 366287707 /nfs/dbraw/zinc/28/77/07/366287707.db2.gz BTXXMPVAPYAQOR-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP COCCSCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000452098278 283186400 /nfs/dbraw/zinc/18/64/00/283186400.db2.gz SXUKFRNKRVVLEN-UHFFFAOYSA-N 2 1 274.474 2.220 20 0 CEADMP COCC[C@H]([NH2+]CCn1cc[nH+]c1C)C(C)(C)C ZINC000338363585 366319690 /nfs/dbraw/zinc/31/96/90/366319690.db2.gz XEWXSKVTIJKZGV-ZDUSSCGKSA-N 2 1 253.390 2.232 20 0 CEADMP C[C@H]1CCC[N@@H+]1C1CC[NH+](CCCCCO)CC1 ZINC000134701504 366353049 /nfs/dbraw/zinc/35/30/49/366353049.db2.gz WKCUHRXZSZJYAI-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP C[C@H]1CCC[N@H+]1C1CC[NH+](CCCCCO)CC1 ZINC000134701504 366353059 /nfs/dbraw/zinc/35/30/59/366353059.db2.gz WKCUHRXZSZJYAI-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP COCC[N@@H+]1CC[C@H](Nc2cccc3cc[nH+]cc32)C1 ZINC000328452284 538841846 /nfs/dbraw/zinc/84/18/46/538841846.db2.gz DLJGMFYERMFTLQ-AWEZNQCLSA-N 2 1 271.364 2.367 20 0 CEADMP COCC[N@H+]1CC[C@H](Nc2cccc3cc[nH+]cc32)C1 ZINC000328452284 538841852 /nfs/dbraw/zinc/84/18/52/538841852.db2.gz DLJGMFYERMFTLQ-AWEZNQCLSA-N 2 1 271.364 2.367 20 0 CEADMP COc1ccc(F)cc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000471766077 540284261 /nfs/dbraw/zinc/28/42/61/540284261.db2.gz FEAVVZXTFPUVRW-LLVKDONJSA-N 2 1 277.343 2.461 20 0 CEADMP C[C@@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ncc[nH]1 ZINC000353460834 540315132 /nfs/dbraw/zinc/31/51/32/540315132.db2.gz LPVYNGRMZOUPOQ-FRRDWIJNSA-N 2 1 250.390 2.181 20 0 CEADMP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1F ZINC000165734922 540323904 /nfs/dbraw/zinc/32/39/04/540323904.db2.gz CBMOFCHJNFDDLV-NEPJUHHUSA-N 2 1 266.360 2.394 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1F ZINC000165734922 540323908 /nfs/dbraw/zinc/32/39/08/540323908.db2.gz CBMOFCHJNFDDLV-NEPJUHHUSA-N 2 1 266.360 2.394 20 0 CEADMP Cc1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)o1 ZINC000685567169 540338514 /nfs/dbraw/zinc/33/85/14/540338514.db2.gz XZUUNWZXERMEAU-UONOGXRCSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)o1 ZINC000685567169 540338517 /nfs/dbraw/zinc/33/85/17/540338517.db2.gz XZUUNWZXERMEAU-UONOGXRCSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000685567169 540338519 /nfs/dbraw/zinc/33/85/19/540338519.db2.gz XZUUNWZXERMEAU-UONOGXRCSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000685567169 540338520 /nfs/dbraw/zinc/33/85/20/540338520.db2.gz XZUUNWZXERMEAU-UONOGXRCSA-N 2 1 263.385 2.208 20 0 CEADMP CCc1cc(NCC(C)(C)C[NH+]2CCCC2)nc(C)[nH+]1 ZINC000357958931 540371069 /nfs/dbraw/zinc/37/10/69/540371069.db2.gz KKNHMVFEBZIPPO-UHFFFAOYSA-N 2 1 276.428 2.303 20 0 CEADMP CCCC[C@@H](CC)CC[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358151481 540371844 /nfs/dbraw/zinc/37/18/44/540371844.db2.gz BBJBYRJIGDJXQR-CABCVRRESA-N 2 1 256.434 2.249 20 0 CEADMP CCCC[C@@H](CC)CC[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358151481 540371846 /nfs/dbraw/zinc/37/18/46/540371846.db2.gz BBJBYRJIGDJXQR-CABCVRRESA-N 2 1 256.434 2.249 20 0 CEADMP CC(C)c1nnc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[nH]1 ZINC000329182054 202221064 /nfs/dbraw/zinc/22/10/64/202221064.db2.gz OWUNVZAWHYFXRA-RWMBFGLXSA-N 2 1 277.416 2.206 20 0 CEADMP COCCOCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000079436097 363599923 /nfs/dbraw/zinc/59/99/23/363599923.db2.gz GAKIGMLZIKWSCL-QGZVFWFLSA-N 2 1 298.471 2.237 20 0 CEADMP COCCOCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000079436097 363599928 /nfs/dbraw/zinc/59/99/28/363599928.db2.gz GAKIGMLZIKWSCL-QGZVFWFLSA-N 2 1 298.471 2.237 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(C)(C)C(=O)OC)C1 ZINC000338544337 366403905 /nfs/dbraw/zinc/40/39/05/366403905.db2.gz MQMOSKKUIGLLGK-CQSZACIVSA-N 2 1 284.444 2.239 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(C)(C)C(=O)OC)C1 ZINC000338544337 366403908 /nfs/dbraw/zinc/40/39/08/366403908.db2.gz MQMOSKKUIGLLGK-CQSZACIVSA-N 2 1 284.444 2.239 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(C)(C)C(=O)OC)C1 ZINC000338544337 366403910 /nfs/dbraw/zinc/40/39/10/366403910.db2.gz MQMOSKKUIGLLGK-CQSZACIVSA-N 2 1 284.444 2.239 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000578070364 366438739 /nfs/dbraw/zinc/43/87/39/366438739.db2.gz QGSOVJWPQAPNSZ-UHFFFAOYSA-N 2 1 278.787 2.306 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000578070364 366438746 /nfs/dbraw/zinc/43/87/46/366438746.db2.gz QGSOVJWPQAPNSZ-UHFFFAOYSA-N 2 1 278.787 2.306 20 0 CEADMP COC(CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000136776416 366525026 /nfs/dbraw/zinc/52/50/26/366525026.db2.gz PVJSMFFJKKYZGZ-INIZCTEOSA-N 2 1 292.423 2.059 20 0 CEADMP COC(C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)OC ZINC000136776416 366525034 /nfs/dbraw/zinc/52/50/34/366525034.db2.gz PVJSMFFJKKYZGZ-INIZCTEOSA-N 2 1 292.423 2.059 20 0 CEADMP COC(C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)OC ZINC000136776416 366525044 /nfs/dbraw/zinc/52/50/44/366525044.db2.gz PVJSMFFJKKYZGZ-INIZCTEOSA-N 2 1 292.423 2.059 20 0 CEADMP COC(C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000136776416 366525053 /nfs/dbraw/zinc/52/50/53/366525053.db2.gz PVJSMFFJKKYZGZ-INIZCTEOSA-N 2 1 292.423 2.059 20 0 CEADMP COC(C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000136776416 366525062 /nfs/dbraw/zinc/52/50/62/366525062.db2.gz PVJSMFFJKKYZGZ-INIZCTEOSA-N 2 1 292.423 2.059 20 0 CEADMP CC(C)[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H](CO)C(C)C ZINC000570981555 299287561 /nfs/dbraw/zinc/28/75/61/299287561.db2.gz QVHPCOMYWYAOMT-JKSUJKDBSA-N 2 1 281.444 2.231 20 0 CEADMP [NH3+]C1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000036753887 540441919 /nfs/dbraw/zinc/44/19/19/540441919.db2.gz DPXIXQAMEJLSNM-UHFFFAOYSA-N 2 1 254.374 2.341 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCN2Cc3ccccc3C2)[C@@H]2CCC[C@H]21 ZINC000671744343 540497723 /nfs/dbraw/zinc/49/77/23/540497723.db2.gz SMNQGQBILYHVPT-GBESFXJTSA-N 2 1 299.462 2.465 20 0 CEADMP Cc1occc1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000666273473 540501198 /nfs/dbraw/zinc/50/11/98/540501198.db2.gz HZZIJUIVPRNWRY-INIZCTEOSA-N 2 1 278.396 2.321 20 0 CEADMP c1nc(-c2ccccc2)[nH]c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855436 540510005 /nfs/dbraw/zinc/51/00/05/540510005.db2.gz RIOQWNAWCSLSSM-CQSZACIVSA-N 2 1 270.380 2.308 20 0 CEADMP COc1nc2ccccc2cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856689 540510611 /nfs/dbraw/zinc/51/06/11/540510611.db2.gz YYQRGHXLNKMMKY-HNNXBMFYSA-N 2 1 285.391 2.475 20 0 CEADMP C[C@]1(c2ccccc2)C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000578731474 366539499 /nfs/dbraw/zinc/53/94/99/366539499.db2.gz ABSWSUYBHNTNCM-DOTOQJQBSA-N 2 1 274.408 2.234 20 0 CEADMP COc1nc2ccccc2cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000578965879 366571797 /nfs/dbraw/zinc/57/17/97/366571797.db2.gz IVFMWAVDSWCSHU-ZDUSSCGKSA-N 2 1 285.391 2.333 20 0 CEADMP CC[N@@H+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC000341774897 216097545 /nfs/dbraw/zinc/09/75/45/216097545.db2.gz RWZBXPYGKNHXDH-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC000341774897 216097557 /nfs/dbraw/zinc/09/75/57/216097557.db2.gz RWZBXPYGKNHXDH-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](Cn1cccn1)C(C)C ZINC000297791476 200282013 /nfs/dbraw/zinc/28/20/13/200282013.db2.gz PYXASTBOMBIWPZ-GOEBONIOSA-N 2 1 289.427 2.339 20 0 CEADMP CCS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000579110971 366594961 /nfs/dbraw/zinc/59/49/61/366594961.db2.gz NUYQVNFLFCZNIV-BPLDGKMQSA-N 2 1 286.485 2.095 20 0 CEADMP CCS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000579110971 366594965 /nfs/dbraw/zinc/59/49/65/366594965.db2.gz NUYQVNFLFCZNIV-BPLDGKMQSA-N 2 1 286.485 2.095 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000297913926 200303076 /nfs/dbraw/zinc/30/30/76/200303076.db2.gz WTSGLPGODURXKO-STQMWFEESA-N 2 1 275.400 2.395 20 0 CEADMP C[C@H]1C[C@H](NCC[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000151026633 366613653 /nfs/dbraw/zinc/61/36/53/366613653.db2.gz QZOJRYTXNBMMHF-DOTOQJQBSA-N 2 1 275.440 2.191 20 0 CEADMP C[C@H]1C[C@H](NCC[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000151026633 366613657 /nfs/dbraw/zinc/61/36/57/366613657.db2.gz QZOJRYTXNBMMHF-DOTOQJQBSA-N 2 1 275.440 2.191 20 0 CEADMP C[C@H]1C[C@H](NCC[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000151026633 366613662 /nfs/dbraw/zinc/61/36/62/366613662.db2.gz QZOJRYTXNBMMHF-DOTOQJQBSA-N 2 1 275.440 2.191 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000151026633 366613668 /nfs/dbraw/zinc/61/36/68/366613668.db2.gz QZOJRYTXNBMMHF-DOTOQJQBSA-N 2 1 275.440 2.191 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCN(C)Cc2ccccc2)CC[N@H+]1C ZINC000151026633 366613673 /nfs/dbraw/zinc/61/36/73/366613673.db2.gz QZOJRYTXNBMMHF-DOTOQJQBSA-N 2 1 275.440 2.191 20 0 CEADMP OCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339071555 366640303 /nfs/dbraw/zinc/64/03/03/366640303.db2.gz SRZULIXEGKTANW-ULQDDVLXSA-N 2 1 274.408 2.327 20 0 CEADMP OCCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000339072279 366640527 /nfs/dbraw/zinc/64/05/27/366640527.db2.gz VOZONXODWMKCSE-HUUCEWRRSA-N 2 1 266.429 2.146 20 0 CEADMP c1nc2ccccc2n1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339074939 366641785 /nfs/dbraw/zinc/64/17/85/366641785.db2.gz NCWOQEBSRHCJDI-LSDHHAIUSA-N 2 1 284.407 2.253 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000298191132 200356234 /nfs/dbraw/zinc/35/62/34/200356234.db2.gz ADRHTCRIXHSJAI-NVXWUHKLSA-N 2 1 292.423 2.193 20 0 CEADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]CC1=CCCOC1)C2 ZINC000176827258 189010950 /nfs/dbraw/zinc/01/09/50/189010950.db2.gz JZEAWXLASYHLNW-UHFFFAOYSA-N 2 1 286.419 2.371 20 0 CEADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]CC1=CCCOC1)C2 ZINC000176827258 189010951 /nfs/dbraw/zinc/01/09/51/189010951.db2.gz JZEAWXLASYHLNW-UHFFFAOYSA-N 2 1 286.419 2.371 20 0 CEADMP c1ccc(N2CCC[N@H+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178979286 189159240 /nfs/dbraw/zinc/15/92/40/189159240.db2.gz MPYWQHRSUZZRAE-UHFFFAOYSA-N 2 1 273.424 2.198 20 0 CEADMP COCC[N@@H+](C)CCCN[C@H](C)c1ccc(Cl)nc1 ZINC000179104172 189170070 /nfs/dbraw/zinc/17/00/70/189170070.db2.gz SHFIGUAUYUXBFK-GFCCVEGCSA-N 2 1 285.819 2.354 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000179104172 189170072 /nfs/dbraw/zinc/17/00/72/189170072.db2.gz SHFIGUAUYUXBFK-GFCCVEGCSA-N 2 1 285.819 2.354 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453574161 283596726 /nfs/dbraw/zinc/59/67/26/283596726.db2.gz BFANKQWYSGWPID-CYBMUJFWSA-N 2 1 277.412 2.442 20 0 CEADMP C[N@@H+](CCN1CC[NH+](C2CCC2)CC1)Cc1ccccc1 ZINC000179570717 189202923 /nfs/dbraw/zinc/20/29/23/189202923.db2.gz USINWPGCENCMQT-UHFFFAOYSA-N 2 1 287.451 2.289 20 0 CEADMP COc1nc(C)cc(C)c1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000675808680 540875735 /nfs/dbraw/zinc/87/57/35/540875735.db2.gz QGQOWRKXXQOXPW-UONOGXRCSA-N 2 1 277.412 2.279 20 0 CEADMP C[C@H](CCc1cccn1C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000675903343 540881362 /nfs/dbraw/zinc/88/13/62/540881362.db2.gz CGGPIYXLKDGKTA-RBSFLKMASA-N 2 1 263.429 2.419 20 0 CEADMP C[C@H](CCc1cccn1C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000675903343 540881365 /nfs/dbraw/zinc/88/13/65/540881365.db2.gz CGGPIYXLKDGKTA-RBSFLKMASA-N 2 1 263.429 2.419 20 0 CEADMP COc1ccc(C[N@@H+](C)CCn2ccnc2)cc1OC ZINC000676113683 540899398 /nfs/dbraw/zinc/89/93/98/540899398.db2.gz VMCFVQUJGJEDGV-UHFFFAOYSA-N 2 1 275.352 2.032 20 0 CEADMP CC[N@@H+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C[C@H]1C ZINC000677192235 540991668 /nfs/dbraw/zinc/99/16/68/540991668.db2.gz JYQOJTNWWIHOOO-CYBMUJFWSA-N 2 1 277.412 2.233 20 0 CEADMP CC[N@H+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C[C@H]1C ZINC000677192235 540991669 /nfs/dbraw/zinc/99/16/69/540991669.db2.gz JYQOJTNWWIHOOO-CYBMUJFWSA-N 2 1 277.412 2.233 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000579791284 366700818 /nfs/dbraw/zinc/70/08/18/366700818.db2.gz AUYHBFJFJJJRAH-ZWKOTPCHSA-N 2 1 290.451 2.315 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(-n2cncn2)cc1 ZINC000181921668 189310329 /nfs/dbraw/zinc/31/03/29/189310329.db2.gz XDXDIKUSYUJTNS-HOCLYGCPSA-N 2 1 299.422 2.402 20 0 CEADMP C[N@@H+](CCNC(=O)CCC1CC[NH2+]CC1)C1CCCCC1 ZINC000237141866 370693202 /nfs/dbraw/zinc/69/32/02/370693202.db2.gz OHTFBZDUAGZBLA-UHFFFAOYSA-N 2 1 295.471 2.147 20 0 CEADMP CC(C)C[C@H](CNc1cc(NCC2CC2)[nH+]cn1)[NH+](C)C ZINC000340025032 366747603 /nfs/dbraw/zinc/74/76/03/366747603.db2.gz XRVNHIMCTDZNML-CQSZACIVSA-N 2 1 291.443 2.109 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000340227509 366808260 /nfs/dbraw/zinc/80/82/60/366808260.db2.gz ABIUNWNREQBNAX-NFAWXSAZSA-N 2 1 265.401 2.375 20 0 CEADMP C[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340244508 366818160 /nfs/dbraw/zinc/81/81/60/366818160.db2.gz JOEFKXJEZHBIMS-CWRNSKLLSA-N 2 1 262.397 2.182 20 0 CEADMP C[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340244508 366818164 /nfs/dbraw/zinc/81/81/64/366818164.db2.gz JOEFKXJEZHBIMS-CWRNSKLLSA-N 2 1 262.397 2.182 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCOC1(C)C ZINC000340258663 366820747 /nfs/dbraw/zinc/82/07/47/366820747.db2.gz NITPAQUFNOFHJU-CYBMUJFWSA-N 2 1 251.374 2.129 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCCO1 ZINC000678239357 541098651 /nfs/dbraw/zinc/09/86/51/541098651.db2.gz ZUIBAEMQQYWSCF-OAHLLOKOSA-N 2 1 292.423 2.238 20 0 CEADMP CC1(C)CCc2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2O1 ZINC000678342729 541119204 /nfs/dbraw/zinc/11/92/04/541119204.db2.gz FGOBKAYTBJYSDC-IYBDPMFKSA-N 2 1 286.419 2.441 20 0 CEADMP CC1(C)CCc2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2O1 ZINC000678342729 541119208 /nfs/dbraw/zinc/11/92/08/541119208.db2.gz FGOBKAYTBJYSDC-IYBDPMFKSA-N 2 1 286.419 2.441 20 0 CEADMP COc1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1O ZINC000678587648 541152613 /nfs/dbraw/zinc/15/26/13/541152613.db2.gz SWTTZQUFKCCSOX-JSGCOSHPSA-N 2 1 278.396 2.016 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCc3ccccc3C2)CC1 ZINC000678591690 541154499 /nfs/dbraw/zinc/15/44/99/541154499.db2.gz RVICNOLVFYGDLQ-CQSZACIVSA-N 2 1 258.409 2.475 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)s1 ZINC000678930969 541193208 /nfs/dbraw/zinc/19/32/08/541193208.db2.gz MZBVCQBEGHUMDT-SNVBAGLBSA-N 2 1 251.399 2.364 20 0 CEADMP C[N@H+]1CC=C(C[NH2+]Cc2nc3c(s2)CCCC3)CC1 ZINC000678969384 541198523 /nfs/dbraw/zinc/19/85/23/541198523.db2.gz KXPHFROGAZYQQI-UHFFFAOYSA-N 2 1 277.437 2.373 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2nc3c(s2)CCCC3)CC1 ZINC000678969384 541198526 /nfs/dbraw/zinc/19/85/26/541198526.db2.gz KXPHFROGAZYQQI-UHFFFAOYSA-N 2 1 277.437 2.373 20 0 CEADMP COCc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000088567814 363908046 /nfs/dbraw/zinc/90/80/46/363908046.db2.gz AQVTZILWXHNRMM-MRXNPFEDSA-N 2 1 274.408 2.407 20 0 CEADMP O[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000089160420 363940497 /nfs/dbraw/zinc/94/04/97/363940497.db2.gz DGNNPPJJWZDMLH-SJLPKXTDSA-N 2 1 288.435 2.402 20 0 CEADMP CN(Cc1c[nH]nc1C(C)(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253776 364075653 /nfs/dbraw/zinc/07/56/53/364075653.db2.gz SWMCRXIRQYTUMK-ZDUSSCGKSA-N 2 1 278.444 2.481 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000090811125 364065315 /nfs/dbraw/zinc/06/53/15/364065315.db2.gz JLRGRCRMESQVGT-CBBWQLFWSA-N 2 1 270.461 2.348 20 0 CEADMP Cc1cccn2c(C[N@@H+](C)CC3CC[NH+](C)CC3)cnc12 ZINC000093089071 364139204 /nfs/dbraw/zinc/13/92/04/364139204.db2.gz BUXHEYFHICUXBE-UHFFFAOYSA-N 2 1 286.423 2.416 20 0 CEADMP CCC[C@H](C[NH2+]C1CC[NH+](CCOC(C)C)CC1)OC ZINC000638726680 370713759 /nfs/dbraw/zinc/71/37/59/370713759.db2.gz WMEAZUKCPRZYPE-MRXNPFEDSA-N 2 1 286.460 2.281 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000237432936 370721291 /nfs/dbraw/zinc/72/12/91/370721291.db2.gz QZECHADBYLSMPK-MLGOLLRUSA-N 2 1 298.390 2.110 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3([NH3+])CC3)cc2)C1 ZINC000237478156 370725347 /nfs/dbraw/zinc/72/53/47/370725347.db2.gz QRVJWLYVHWGSCK-CYBMUJFWSA-N 2 1 287.407 2.348 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000237648911 370741288 /nfs/dbraw/zinc/74/12/88/370741288.db2.gz RXHNUVYNGOYEME-QWHCGFSZSA-N 2 1 299.378 2.032 20 0 CEADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237639415 370741583 /nfs/dbraw/zinc/74/15/83/370741583.db2.gz DPYLUJIBCXTNTM-OLZOCXBDSA-N 2 1 299.378 2.032 20 0 CEADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237639383 370741608 /nfs/dbraw/zinc/74/16/08/370741608.db2.gz DPYLUJIBCXTNTM-CHWSQXEVSA-N 2 1 299.378 2.032 20 0 CEADMP COc1ccc(CC[N@@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000093873861 364237263 /nfs/dbraw/zinc/23/72/63/364237263.db2.gz SOFVHGYHYFEVEY-UHFFFAOYSA-N 2 1 250.386 2.154 20 0 CEADMP C[N@H+](Cc1cnn(-c2ccccc2)c1)CC1CC[NH2+]CC1 ZINC000094010753 364246663 /nfs/dbraw/zinc/24/66/63/364246663.db2.gz WCLJXCOYNJTHKS-UHFFFAOYSA-N 2 1 284.407 2.304 20 0 CEADMP CC1(C)C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C(C)(C)O1 ZINC000094423817 364272551 /nfs/dbraw/zinc/27/25/51/364272551.db2.gz LMDAECWUHCVDBW-OCCSQVGLSA-N 2 1 266.429 2.406 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2ccnc(Br)c2)CC1 ZINC000095072725 364332391 /nfs/dbraw/zinc/33/23/91/364332391.db2.gz NEKMWEFSLWUQPA-UHFFFAOYSA-N 2 1 284.201 2.015 20 0 CEADMP Cc1ccncc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334867387 364279514 /nfs/dbraw/zinc/27/95/14/364279514.db2.gz DLJPPQCMEYAXFW-GDBMZVCRSA-N 2 1 259.397 2.354 20 0 CEADMP CC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)COC1 ZINC000094721920 364291196 /nfs/dbraw/zinc/29/11/96/364291196.db2.gz HYWMVXLYJFEUFM-UHFFFAOYSA-N 2 1 288.435 2.320 20 0 CEADMP CC(C)[NH+](CCC[NH2+]C[C@H](O)C(F)(F)F)C(C)C ZINC000581879755 366831614 /nfs/dbraw/zinc/83/16/14/366831614.db2.gz YBWOPFIHDJVKAC-NSHDSACASA-N 2 1 270.339 2.008 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CC(C)C)C1 ZINC000582011215 366849558 /nfs/dbraw/zinc/84/95/58/366849558.db2.gz UEGJNQANQVWQOW-HUUCEWRRSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000582011215 366849561 /nfs/dbraw/zinc/84/95/61/366849561.db2.gz UEGJNQANQVWQOW-HUUCEWRRSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000582011215 366849564 /nfs/dbraw/zinc/84/95/64/366849564.db2.gz UEGJNQANQVWQOW-HUUCEWRRSA-N 2 1 256.434 2.057 20 0 CEADMP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000104350204 364694149 /nfs/dbraw/zinc/69/41/49/364694149.db2.gz FRYDFMHJDKMDLV-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2ccnc3ccccc23)CC1 ZINC000104381832 364695298 /nfs/dbraw/zinc/69/52/98/364695298.db2.gz NYSMAVPQSCYIFJ-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP Cc1ccn2c(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)cnc2c1 ZINC000335735954 364907140 /nfs/dbraw/zinc/90/71/40/364907140.db2.gz YDHNPSKYDOYJDN-AWEZNQCLSA-N 2 1 272.396 2.217 20 0 CEADMP Cc1ccn2c(C[N@H+](C)[C@H]3CCC[NH2+]CC3)cnc2c1 ZINC000335735954 364907144 /nfs/dbraw/zinc/90/71/44/364907144.db2.gz YDHNPSKYDOYJDN-AWEZNQCLSA-N 2 1 272.396 2.217 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000113514234 364901332 /nfs/dbraw/zinc/90/13/32/364901332.db2.gz LPHBORFMLDBZRB-HNNXBMFYSA-N 2 1 262.397 2.257 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000113514234 364901342 /nfs/dbraw/zinc/90/13/42/364901342.db2.gz LPHBORFMLDBZRB-HNNXBMFYSA-N 2 1 262.397 2.257 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000114076525 364926047 /nfs/dbraw/zinc/92/60/47/364926047.db2.gz VIXWVJSHXBUAPR-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000114076525 364926050 /nfs/dbraw/zinc/92/60/50/364926050.db2.gz VIXWVJSHXBUAPR-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000114076525 364926052 /nfs/dbraw/zinc/92/60/52/364926052.db2.gz VIXWVJSHXBUAPR-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1CC[C@H]2CCN(C/C=C/c3ccncc3)[C@@H]2C1 ZINC000335788413 364985185 /nfs/dbraw/zinc/98/51/85/364985185.db2.gz VAJPBPQVKXZLJH-TWTBHFKPSA-N 2 1 257.381 2.121 20 0 CEADMP FC(F)(F)Oc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000115015186 364980807 /nfs/dbraw/zinc/98/08/07/364980807.db2.gz FUAROSQFETZYTG-UHFFFAOYSA-N 2 1 274.286 2.427 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000245394994 370811430 /nfs/dbraw/zinc/81/14/30/370811430.db2.gz GZNNXSBEVWAUTL-XQLPTFJDSA-N 2 1 283.460 2.094 20 0 CEADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245394994 370811436 /nfs/dbraw/zinc/81/14/36/370811436.db2.gz GZNNXSBEVWAUTL-XQLPTFJDSA-N 2 1 283.460 2.094 20 0 CEADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245394994 370811439 /nfs/dbraw/zinc/81/14/39/370811439.db2.gz GZNNXSBEVWAUTL-XQLPTFJDSA-N 2 1 283.460 2.094 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)CC[C@@H]1[NH3+] ZINC000336055894 365348712 /nfs/dbraw/zinc/34/87/12/365348712.db2.gz YWYPKTHIPCLWBJ-BBRMVZONSA-N 2 1 270.380 2.041 20 0 CEADMP COCC1(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000340444396 366886190 /nfs/dbraw/zinc/88/61/90/366886190.db2.gz LUQULDOLHZYJTN-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000119873899 365337892 /nfs/dbraw/zinc/33/78/92/365337892.db2.gz FMLFLKNWQFXLPE-CJNGLKHVSA-N 2 1 261.413 2.182 20 0 CEADMP CC[C@@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC000582221796 366879769 /nfs/dbraw/zinc/87/97/69/366879769.db2.gz MODYFQADHKMJAM-XGUBFFRZSA-N 2 1 254.418 2.406 20 0 CEADMP CC[C@@H](CO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275687009 193105553 /nfs/dbraw/zinc/10/55/53/193105553.db2.gz IXGZKJBRSMJQIQ-PVAVHDDUSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000583078787 366997626 /nfs/dbraw/zinc/99/76/26/366997626.db2.gz KGGQGKRECVWHTE-LLVKDONJSA-N 2 1 273.380 2.103 20 0 CEADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000340701186 366996040 /nfs/dbraw/zinc/99/60/40/366996040.db2.gz KLMSYRUVXSYOQY-IAGOWNOFSA-N 2 1 276.424 2.176 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000583444077 367050277 /nfs/dbraw/zinc/05/02/77/367050277.db2.gz MHNAOMWNSBHOQT-IXDOHACOSA-N 2 1 280.456 2.488 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000340794692 367033047 /nfs/dbraw/zinc/03/30/47/367033047.db2.gz IBSDAMDHWSAWIQ-OAGGEKHMSA-N 2 1 295.471 2.190 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000583928605 367116433 /nfs/dbraw/zinc/11/64/33/367116433.db2.gz KJRMQBSDIMRJFD-CABCVRRESA-N 2 1 285.395 2.017 20 0 CEADMP C[N@@H+](CCn1ccnc1)C1CCN(Cc2ccccc2)CC1 ZINC000161863330 367116828 /nfs/dbraw/zinc/11/68/28/367116828.db2.gz LSXDCRKMZOPLSR-UHFFFAOYSA-N 3 1 298.434 2.480 20 0 CEADMP Cc1c(Cl)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nn1C ZINC000335553337 212256558 /nfs/dbraw/zinc/25/65/58/212256558.db2.gz APDQNYWBOSALJA-CHWSQXEVSA-N 2 1 296.846 2.203 20 0 CEADMP Cc1c(Cl)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nn1C ZINC000335553337 212256561 /nfs/dbraw/zinc/25/65/61/212256561.db2.gz APDQNYWBOSALJA-CHWSQXEVSA-N 2 1 296.846 2.203 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000583809795 367099869 /nfs/dbraw/zinc/09/98/69/367099869.db2.gz DYQRFAKASYAEMG-CQSZACIVSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000583809795 367099874 /nfs/dbraw/zinc/09/98/74/367099874.db2.gz DYQRFAKASYAEMG-CQSZACIVSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1cnc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)n1C ZINC000341077486 367160940 /nfs/dbraw/zinc/16/09/40/367160940.db2.gz LSEQDSGBENWNNS-UHFFFAOYSA-N 2 1 272.396 2.080 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000163177991 367222597 /nfs/dbraw/zinc/22/25/97/367222597.db2.gz VGMXQCOQBDYIKU-MNOVXSKESA-N 2 1 270.323 2.457 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000163177991 367222603 /nfs/dbraw/zinc/22/26/03/367222603.db2.gz VGMXQCOQBDYIKU-MNOVXSKESA-N 2 1 270.323 2.457 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](CO)CC1CCCC1 ZINC000341496587 367357021 /nfs/dbraw/zinc/35/70/21/367357021.db2.gz ZPJKOFYMMOHMLB-OAHLLOKOSA-N 2 1 291.439 2.426 20 0 CEADMP CC(C)[C@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[N@H+]1C ZINC000631580092 367416884 /nfs/dbraw/zinc/41/68/84/367416884.db2.gz GKBOYUMTSZOIHZ-CQSZACIVSA-N 2 1 258.369 2.339 20 0 CEADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)n1 ZINC000631827976 367566116 /nfs/dbraw/zinc/56/61/16/367566116.db2.gz BGCJLKJLDXWMRJ-IAQYHMDHSA-N 2 1 261.413 2.424 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCc1cccc2c1OC(F)(F)O2 ZINC000631822530 367561426 /nfs/dbraw/zinc/56/14/26/367561426.db2.gz HGKVGXIPJDNAPU-WDEREUQCSA-N 2 1 298.333 2.220 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000631825278 367562943 /nfs/dbraw/zinc/56/29/43/367562943.db2.gz DOIQXYNKLAGPOG-GOEBONIOSA-N 2 1 262.397 2.262 20 0 CEADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000631829282 367567713 /nfs/dbraw/zinc/56/77/13/367567713.db2.gz MMFSWCSIUPUOSQ-HZPDHXFCSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1nccnc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000631828886 367567855 /nfs/dbraw/zinc/56/78/55/367567855.db2.gz AVNIIFLAABTTBN-IUODEOHRSA-N 2 1 262.401 2.124 20 0 CEADMP COc1cccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC000631837445 367577238 /nfs/dbraw/zinc/57/72/38/367577238.db2.gz SGLNNWGVCOYPPR-CMPLNLGQSA-N 2 1 268.788 2.375 20 0 CEADMP COc1cccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC000631837445 367577240 /nfs/dbraw/zinc/57/72/40/367577240.db2.gz SGLNNWGVCOYPPR-CMPLNLGQSA-N 2 1 268.788 2.375 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C1(CCO)CCCCC1 ZINC000342861038 367576257 /nfs/dbraw/zinc/57/62/57/367576257.db2.gz VFCXJQLDHOAMSR-UHFFFAOYSA-N 2 1 265.401 2.257 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886702 367608572 /nfs/dbraw/zinc/60/85/72/367608572.db2.gz JJXFFPZWYUSIOW-WBVHZDCISA-N 2 1 287.407 2.219 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886702 367608578 /nfs/dbraw/zinc/60/85/78/367608578.db2.gz JJXFFPZWYUSIOW-WBVHZDCISA-N 2 1 287.407 2.219 20 0 CEADMP Cc1cc(NCC[N@H+]2CCOCC2(C)C)c2ccccc2[nH+]1 ZINC000342951821 367611522 /nfs/dbraw/zinc/61/15/22/367611522.db2.gz SJILDNNBJWIPEE-UHFFFAOYSA-N 2 1 299.418 2.488 20 0 CEADMP CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000172092906 367673005 /nfs/dbraw/zinc/67/30/05/367673005.db2.gz ZBYUCBNJPOBKOO-MJBXVCDLSA-N 2 1 285.476 2.246 20 0 CEADMP CCOc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)n1 ZINC000343155266 367688099 /nfs/dbraw/zinc/68/80/99/367688099.db2.gz UGQRLJDNSFIKRQ-CYBMUJFWSA-N 2 1 288.395 2.411 20 0 CEADMP COc1cc2c(cc1CN[C@@H]1C[N@@H+](C)C[C@H]1C)O[C@@H](C)C2 ZINC000343265912 367733228 /nfs/dbraw/zinc/73/32/28/367733228.db2.gz PCLMDAFPOBECPD-TYNCELHUSA-N 2 1 290.407 2.058 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1O ZINC000245842257 370878492 /nfs/dbraw/zinc/87/84/92/370878492.db2.gz BNNXKPPRONOEMN-HUUCEWRRSA-N 2 1 290.407 2.317 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1O ZINC000245842257 370878502 /nfs/dbraw/zinc/87/85/02/370878502.db2.gz BNNXKPPRONOEMN-HUUCEWRRSA-N 2 1 290.407 2.317 20 0 CEADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1O ZINC000245842257 370878509 /nfs/dbraw/zinc/87/85/09/370878509.db2.gz BNNXKPPRONOEMN-HUUCEWRRSA-N 2 1 290.407 2.317 20 0 CEADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1O ZINC000245842257 370878515 /nfs/dbraw/zinc/87/85/15/370878515.db2.gz BNNXKPPRONOEMN-HUUCEWRRSA-N 2 1 290.407 2.317 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)CC[N@@H+]1C ZINC000245910197 370886152 /nfs/dbraw/zinc/88/61/52/370886152.db2.gz CKUQLMXDOWRKIU-KBXIAJHMSA-N 2 1 284.469 2.113 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)CC[N@H+]1C ZINC000245910197 370886157 /nfs/dbraw/zinc/88/61/57/370886157.db2.gz CKUQLMXDOWRKIU-KBXIAJHMSA-N 2 1 284.469 2.113 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](NC2CC[NH+](CC(C)C)CC2)C1 ZINC000358028223 370875933 /nfs/dbraw/zinc/87/59/33/370875933.db2.gz TTXJMJJKVJQTRA-GDBMZVCRSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358030642 370876715 /nfs/dbraw/zinc/87/67/15/370876715.db2.gz YBJMUJOJFJETAA-VWYCJHECSA-N 2 1 268.323 2.026 20 0 CEADMP C[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358030642 370876721 /nfs/dbraw/zinc/87/67/21/370876721.db2.gz YBJMUJOJFJETAA-VWYCJHECSA-N 2 1 268.323 2.026 20 0 CEADMP CCOC(=O)CC(C)(C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000343896089 368063438 /nfs/dbraw/zinc/06/34/38/368063438.db2.gz ITOYYSMPEMFJJC-UHFFFAOYSA-N 2 1 281.400 2.245 20 0 CEADMP CCOC(=O)CC(C)(C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000343896089 368063440 /nfs/dbraw/zinc/06/34/40/368063440.db2.gz ITOYYSMPEMFJJC-UHFFFAOYSA-N 2 1 281.400 2.245 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000343942955 368082650 /nfs/dbraw/zinc/08/26/50/368082650.db2.gz VEBXGZHAFQYZSA-XHSDSOJGSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343942955 368082656 /nfs/dbraw/zinc/08/26/56/368082656.db2.gz VEBXGZHAFQYZSA-XHSDSOJGSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000343942955 368082662 /nfs/dbraw/zinc/08/26/62/368082662.db2.gz VEBXGZHAFQYZSA-XHSDSOJGSA-N 2 1 267.461 2.323 20 0 CEADMP CO[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(F)(F)F ZINC000345478172 368291437 /nfs/dbraw/zinc/29/14/37/368291437.db2.gz GFTLGQDKEVPGRA-GRYCIOLGSA-N 2 1 280.334 2.170 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000346140949 368558894 /nfs/dbraw/zinc/55/88/94/368558894.db2.gz WYILQOHCILTOBZ-SWLSCSKDSA-N 2 1 250.361 2.298 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](C)CC1(C)C ZINC000346173401 368576642 /nfs/dbraw/zinc/57/66/42/368576642.db2.gz PMHWQXDEADKNAU-UHFFFAOYSA-N 2 1 299.422 2.102 20 0 CEADMP CCC(CC)[N@H+](CCOC)CCn1cc[nH+]c1C ZINC000346304030 368627693 /nfs/dbraw/zinc/62/76/93/368627693.db2.gz GSBCRYZECJVKDZ-UHFFFAOYSA-N 2 1 253.390 2.329 20 0 CEADMP CCC(CC)[N@@H+](CCOC)CCn1cc[nH+]c1C ZINC000346304030 368627696 /nfs/dbraw/zinc/62/76/96/368627696.db2.gz GSBCRYZECJVKDZ-UHFFFAOYSA-N 2 1 253.390 2.329 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([S@@](C)=O)cc2)[C@@H](C)C1 ZINC000246162535 370918530 /nfs/dbraw/zinc/91/85/30/370918530.db2.gz FELZTWAUOIGNOB-ZSOFBXJNSA-N 2 1 294.464 2.244 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc([S@@](C)=O)cc2)[C@@H](C)C1 ZINC000246162535 370918537 /nfs/dbraw/zinc/91/85/37/370918537.db2.gz FELZTWAUOIGNOB-ZSOFBXJNSA-N 2 1 294.464 2.244 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000346673561 368762698 /nfs/dbraw/zinc/76/26/98/368762698.db2.gz IBWBTQPWVZRHQO-TZMCWYRMSA-N 2 1 278.396 2.263 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346676778 368764760 /nfs/dbraw/zinc/76/47/60/368764760.db2.gz KLIJQCKNRAYNIL-AWEZNQCLSA-N 2 1 280.460 2.350 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346676778 368764762 /nfs/dbraw/zinc/76/47/62/368764762.db2.gz KLIJQCKNRAYNIL-AWEZNQCLSA-N 2 1 280.460 2.350 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000346676814 368765416 /nfs/dbraw/zinc/76/54/16/368765416.db2.gz KPNOKUWPUIALMI-RYUDHWBXSA-N 2 1 276.409 2.103 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346682048 368767764 /nfs/dbraw/zinc/76/77/64/368767764.db2.gz OVVMBHGXZROPAA-BXUZGUMPSA-N 2 1 278.444 2.424 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc2c[nH]nc21 ZINC000346692386 368774467 /nfs/dbraw/zinc/77/44/67/368774467.db2.gz YPRDIVCVYRZRDP-AWEZNQCLSA-N 2 1 260.385 2.368 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634679407 368809989 /nfs/dbraw/zinc/80/99/89/368809989.db2.gz UBPLQHDFFZPICU-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000634724885 368840533 /nfs/dbraw/zinc/84/05/33/368840533.db2.gz ZFNSORQJCUSKFP-UAGQMJEPSA-N 2 1 276.424 2.115 20 0 CEADMP C[C@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634637538 368790145 /nfs/dbraw/zinc/79/01/45/368790145.db2.gz WWKUTUXZRQMFCH-FUHWJXTLSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634637538 368790152 /nfs/dbraw/zinc/79/01/52/368790152.db2.gz WWKUTUXZRQMFCH-FUHWJXTLSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634637538 368790157 /nfs/dbraw/zinc/79/01/57/368790157.db2.gz WWKUTUXZRQMFCH-FUHWJXTLSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634637538 368790163 /nfs/dbraw/zinc/79/01/63/368790163.db2.gz WWKUTUXZRQMFCH-FUHWJXTLSA-N 2 1 288.435 2.355 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000348099158 368896454 /nfs/dbraw/zinc/89/64/54/368896454.db2.gz CWZVMBYHRDMSDL-ZIAGYGMSSA-N 2 1 256.434 2.369 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@@H]3CC[NH2+][C@H](C)C3)c2c1C ZINC000634808491 368897032 /nfs/dbraw/zinc/89/70/32/368897032.db2.gz VAYUDECILKVBTL-LDYMZIIASA-N 2 1 259.357 2.127 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(-n2ccnn2)c1 ZINC000348107220 368900304 /nfs/dbraw/zinc/90/03/04/368900304.db2.gz VKJDHEBTIMNFEQ-CYBMUJFWSA-N 2 1 285.395 2.012 20 0 CEADMP CC[C@H]1CC[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000348108989 368901583 /nfs/dbraw/zinc/90/15/83/368901583.db2.gz XZIIVJOGDADNQM-JKSUJKDBSA-N 2 1 267.461 2.038 20 0 CEADMP CCC(CC)(CC(=O)OC)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000348257253 368971672 /nfs/dbraw/zinc/97/16/72/368971672.db2.gz PVEHUYJIBTWKCC-CYBMUJFWSA-N 2 1 270.417 2.182 20 0 CEADMP CCn1cc(CC[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cn1 ZINC000348258251 368972915 /nfs/dbraw/zinc/97/29/15/368972915.db2.gz WDGRBRQKYJSBKG-GDBMZVCRSA-N 2 1 278.444 2.250 20 0 CEADMP CCn1cc(CC[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cn1 ZINC000348258251 368972917 /nfs/dbraw/zinc/97/29/17/368972917.db2.gz WDGRBRQKYJSBKG-GDBMZVCRSA-N 2 1 278.444 2.250 20 0 CEADMP CCn1cc(CC[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cn1 ZINC000348258251 368972921 /nfs/dbraw/zinc/97/29/21/368972921.db2.gz WDGRBRQKYJSBKG-GDBMZVCRSA-N 2 1 278.444 2.250 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)[C@@H](C)C1 ZINC000348266132 368976749 /nfs/dbraw/zinc/97/67/49/368976749.db2.gz BFXKSUWSXJOATQ-XDQVBPFNSA-N 2 1 290.398 2.367 20 0 CEADMP C[C@H]1C[C@H](N(C)Cc2cc(O)cc(F)c2)CC[N@H+]1C ZINC000186241926 368944644 /nfs/dbraw/zinc/94/46/44/368944644.db2.gz QWXAZCREUZRFSB-SMDDNHRTSA-N 2 1 266.360 2.446 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1nnc2ccccn21 ZINC000348200763 368947282 /nfs/dbraw/zinc/94/72/82/368947282.db2.gz XVZXJCNWXPVOAZ-CYBMUJFWSA-N 2 1 298.394 2.365 20 0 CEADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000348204449 368948966 /nfs/dbraw/zinc/94/89/66/368948966.db2.gz SOVWJTUVWZHEDZ-IXDOHACOSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000348204449 368948971 /nfs/dbraw/zinc/94/89/71/368948971.db2.gz SOVWJTUVWZHEDZ-IXDOHACOSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000348204449 368948977 /nfs/dbraw/zinc/94/89/77/368948977.db2.gz SOVWJTUVWZHEDZ-IXDOHACOSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000348204449 368948983 /nfs/dbraw/zinc/94/89/83/368948983.db2.gz SOVWJTUVWZHEDZ-IXDOHACOSA-N 2 1 295.471 2.192 20 0 CEADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC12CC(C1)C[NH2+]2 ZINC000634992111 369021094 /nfs/dbraw/zinc/02/10/94/369021094.db2.gz DPQSZFZXHQDYSJ-VIQWUECVSA-N 2 1 299.462 2.192 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000186735620 369030605 /nfs/dbraw/zinc/03/06/05/369030605.db2.gz ARHMDJWVZVNECF-HRCADAONSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2OC(C)(C)C3)C[C@H]1C[NH3+] ZINC000634999023 369031496 /nfs/dbraw/zinc/03/14/96/369031496.db2.gz OZDFCFMVIMNFBE-IUODEOHRSA-N 2 1 274.408 2.427 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)C[C@H]1C[NH3+] ZINC000634999253 369034026 /nfs/dbraw/zinc/03/40/26/369034026.db2.gz RQPYQCZKHKDVIZ-HZSPNIEDSA-N 2 1 260.381 2.079 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H]3CCC[C@H]3[NH3+])C2)cc1 ZINC000635011199 369048700 /nfs/dbraw/zinc/04/87/00/369048700.db2.gz DJARZDNNWIJCGH-BBWFWOEESA-N 2 1 273.424 2.039 20 0 CEADMP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCC[C@H]3[NH3+])C2)cc1 ZINC000635011199 369048704 /nfs/dbraw/zinc/04/87/04/369048704.db2.gz DJARZDNNWIJCGH-BBWFWOEESA-N 2 1 273.424 2.039 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)c2nccn21 ZINC000635006949 369042647 /nfs/dbraw/zinc/04/26/47/369042647.db2.gz NFSKUOUXZGNTKF-FVQBIDKESA-N 2 1 284.407 2.439 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC000635135722 369087636 /nfs/dbraw/zinc/08/76/36/369087636.db2.gz DEYTZKOWXQTAHR-LSDHHAIUSA-N 2 1 292.427 2.071 20 0 CEADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635383609 369152935 /nfs/dbraw/zinc/15/29/35/369152935.db2.gz WZPDVNCBOHXPGF-MRXNPFEDSA-N 2 1 297.487 2.155 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@@H]1CCSC1 ZINC000349069959 369234884 /nfs/dbraw/zinc/23/48/84/369234884.db2.gz AASLIANOFRZWPG-HOTGVXAUSA-N 2 1 299.528 2.087 20 0 CEADMP Cc1[nH+]ccn1CCCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635604149 369242088 /nfs/dbraw/zinc/24/20/88/369242088.db2.gz UPRNYXYWWCDYCR-UHFFFAOYSA-N 2 1 294.443 2.066 20 0 CEADMP Cc1[nH+]ccn1CCCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC000635604149 369242095 /nfs/dbraw/zinc/24/20/95/369242095.db2.gz UPRNYXYWWCDYCR-UHFFFAOYSA-N 2 1 294.443 2.066 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000349151955 369253980 /nfs/dbraw/zinc/25/39/80/369253980.db2.gz PCUGDTUXYUEZEU-MRXNPFEDSA-N 2 1 289.423 2.254 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCCC2)[C@H](C)C1 ZINC000164202852 541760740 /nfs/dbraw/zinc/76/07/40/541760740.db2.gz PFQAQCXZMLFJTH-HZPDHXFCSA-N 2 1 298.471 2.018 20 0 CEADMP CCn1nccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000349185882 369260774 /nfs/dbraw/zinc/26/07/74/369260774.db2.gz JAXINDSLUWXXEO-OAHLLOKOSA-N 2 1 276.428 2.067 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2COc3ccccc3O2)CC1 ZINC000683228065 541777378 /nfs/dbraw/zinc/77/73/78/541777378.db2.gz QNVXEYFLRRPKHY-GJZGRUSLSA-N 2 1 290.407 2.243 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2COc3ccccc3O2)CC1 ZINC000683228065 541777382 /nfs/dbraw/zinc/77/73/82/541777382.db2.gz QNVXEYFLRRPKHY-GJZGRUSLSA-N 2 1 290.407 2.243 20 0 CEADMP CN(C)Cc1csc(NC(=O)C[N@@H+](C)CC(C)(C)C)n1 ZINC000636016678 369462597 /nfs/dbraw/zinc/46/25/97/369462597.db2.gz VLJBNTZGNABUFG-UHFFFAOYSA-N 2 1 298.456 2.121 20 0 CEADMP CN(C)Cc1csc(NC(=O)CN(C)CC(C)(C)C)n1 ZINC000636016678 369462604 /nfs/dbraw/zinc/46/26/04/369462604.db2.gz VLJBNTZGNABUFG-UHFFFAOYSA-N 2 1 298.456 2.121 20 0 CEADMP C[C@@H](CCC1CCCC1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358227244 370961387 /nfs/dbraw/zinc/96/13/87/370961387.db2.gz AWCKRFBXRPDYCJ-DZGCQCFKSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H](CCC1CCCC1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358227244 370961389 /nfs/dbraw/zinc/96/13/89/370961389.db2.gz AWCKRFBXRPDYCJ-DZGCQCFKSA-N 2 1 254.418 2.002 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC(OC(C)C)C2)C1 ZINC000189524293 369532275 /nfs/dbraw/zinc/53/22/75/369532275.db2.gz FRYQTPFHXUUXAS-NFOMZHRRSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ncccc1Cl ZINC000358279995 370989082 /nfs/dbraw/zinc/98/90/82/370989082.db2.gz AQLHWWXMXKKBDK-WCQYABFASA-N 2 1 283.803 2.044 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H]3CCc4ccc(F)cc43)C[C@@H]12 ZINC000351496716 369638075 /nfs/dbraw/zinc/63/80/75/369638075.db2.gz SADHVUBFGVFMBX-MPESAESLSA-N 2 1 260.356 2.482 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000351592800 369642534 /nfs/dbraw/zinc/64/25/34/369642534.db2.gz AOBSRISWLWVSJB-DLBZAZTESA-N 2 1 279.472 2.421 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCO[C@@H](C)C2)C1 ZINC000352632117 369813247 /nfs/dbraw/zinc/81/32/47/369813247.db2.gz YLGIYAOYQJYFGD-JYJNAYRXSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCO[C@@H](C)C2)C1 ZINC000352632117 369813250 /nfs/dbraw/zinc/81/32/50/369813250.db2.gz YLGIYAOYQJYFGD-JYJNAYRXSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@@H](C)C2)C1 ZINC000352632117 369813256 /nfs/dbraw/zinc/81/32/56/369813256.db2.gz YLGIYAOYQJYFGD-JYJNAYRXSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000192461708 369816460 /nfs/dbraw/zinc/81/64/60/369816460.db2.gz MWKXZANABBOZQL-QAPCUYQASA-N 2 1 288.435 2.449 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000192461708 369816462 /nfs/dbraw/zinc/81/64/62/369816462.db2.gz MWKXZANABBOZQL-QAPCUYQASA-N 2 1 288.435 2.449 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352534427 369776223 /nfs/dbraw/zinc/77/62/23/369776223.db2.gz GMOGQFJOIAPBKL-KRWDZBQOSA-N 2 1 290.455 2.120 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352534427 369776226 /nfs/dbraw/zinc/77/62/26/369776226.db2.gz GMOGQFJOIAPBKL-KRWDZBQOSA-N 2 1 290.455 2.120 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000352540856 369779314 /nfs/dbraw/zinc/77/93/14/369779314.db2.gz QKYFSUCUITVPER-HNNXBMFYSA-N 2 1 276.428 2.241 20 0 CEADMP C[NH+](C)Cc1cnc(CNCC[N@H+](C)C2CCCC2)s1 ZINC000352747696 369866918 /nfs/dbraw/zinc/86/69/18/369866918.db2.gz GECUXLMOLKSDPB-UHFFFAOYSA-N 2 1 296.484 2.169 20 0 CEADMP C[NH+](C)Cc1cnc(CNCC[N@@H+](C)C2CCCC2)s1 ZINC000352747696 369866922 /nfs/dbraw/zinc/86/69/22/369866922.db2.gz GECUXLMOLKSDPB-UHFFFAOYSA-N 2 1 296.484 2.169 20 0 CEADMP C[NH+](C)Cc1cnc(CN[C@@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000352750387 369867577 /nfs/dbraw/zinc/86/75/77/369867577.db2.gz QNABIAUJPQWKNR-OLZOCXBDSA-N 2 1 296.484 2.167 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@H](CO)CC(C)(C)C)s1 ZINC000352758233 369869248 /nfs/dbraw/zinc/86/92/48/369869248.db2.gz HKMHUKPRSNAEEA-NSHDSACASA-N 2 1 285.457 2.091 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CCC=CO2)cn1 ZINC000194240829 370018033 /nfs/dbraw/zinc/01/80/33/370018033.db2.gz FAVZVBFKNSZPBW-HNNXBMFYSA-N 2 1 284.363 2.358 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000353124148 370028576 /nfs/dbraw/zinc/02/85/76/370028576.db2.gz YDPINTPQTTUQKM-ZDUSSCGKSA-N 2 1 296.484 2.169 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000353124148 370028581 /nfs/dbraw/zinc/02/85/81/370028581.db2.gz YDPINTPQTTUQKM-ZDUSSCGKSA-N 2 1 296.484 2.169 20 0 CEADMP CO[C@H]1CCC[C@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353138294 370034897 /nfs/dbraw/zinc/03/48/97/370034897.db2.gz YZBAPRNRRYCMFV-WFASDCNBSA-N 2 1 263.385 2.052 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000353942519 370147206 /nfs/dbraw/zinc/14/72/06/370147206.db2.gz GGSOGZUGZNSLBU-AWEZNQCLSA-N 2 1 284.444 2.430 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC000354078882 370206974 /nfs/dbraw/zinc/20/69/74/370206974.db2.gz ZOUDCCSSLOYKHP-CQSZACIVSA-N 2 1 297.468 2.384 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@](C)(OC)C2CC2)C1 ZINC000638122105 370318220 /nfs/dbraw/zinc/31/82/20/370318220.db2.gz HXRFNYOZYCBMSW-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000223118634 370261005 /nfs/dbraw/zinc/26/10/05/370261005.db2.gz CTRBHNDWCQFEBO-LBPRGKRZSA-N 2 1 266.360 2.351 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000223118634 370261008 /nfs/dbraw/zinc/26/10/08/370261008.db2.gz CTRBHNDWCQFEBO-LBPRGKRZSA-N 2 1 266.360 2.351 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NCCC(C)(C)C)C[C@H]1C ZINC000354221586 370267815 /nfs/dbraw/zinc/26/78/15/370267815.db2.gz HJYDCKQUGQGYDQ-HUUCEWRRSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)CC[C@@H]([NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000638127350 370322158 /nfs/dbraw/zinc/32/21/58/370322158.db2.gz VCCHTFDAUMDJMM-LSDHHAIUSA-N 2 1 283.460 2.083 20 0 CEADMP O=c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c[nH]1 ZINC000638104563 370303549 /nfs/dbraw/zinc/30/35/49/370303549.db2.gz JPMRDAXZUKGUOL-HNNXBMFYSA-N 2 1 275.396 2.238 20 0 CEADMP O=c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c[nH]1 ZINC000638104563 370303555 /nfs/dbraw/zinc/30/35/55/370303555.db2.gz JPMRDAXZUKGUOL-HNNXBMFYSA-N 2 1 275.396 2.238 20 0 CEADMP CC[C@H](C)[C@H](C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1)OC ZINC000638116266 370312345 /nfs/dbraw/zinc/31/23/45/370312345.db2.gz JAVPWVLGCIEIHA-XGUBFFRZSA-N 2 1 256.434 2.462 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000638116266 370312349 /nfs/dbraw/zinc/31/23/49/370312349.db2.gz JAVPWVLGCIEIHA-XGUBFFRZSA-N 2 1 256.434 2.462 20 0 CEADMP CC[C@H](C)[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000638116266 370312352 /nfs/dbraw/zinc/31/23/52/370312352.db2.gz JAVPWVLGCIEIHA-XGUBFFRZSA-N 2 1 256.434 2.462 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000638116266 370312355 /nfs/dbraw/zinc/31/23/55/370312355.db2.gz JAVPWVLGCIEIHA-XGUBFFRZSA-N 2 1 256.434 2.462 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000638116266 370312360 /nfs/dbraw/zinc/31/23/60/370312360.db2.gz JAVPWVLGCIEIHA-XGUBFFRZSA-N 2 1 256.434 2.462 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(=O)[nH]c1 ZINC000638116706 370312633 /nfs/dbraw/zinc/31/26/33/370312633.db2.gz FYSOAPZKGWGWDT-AWEZNQCLSA-N 2 1 263.385 2.093 20 0 CEADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(=O)[nH]c1 ZINC000638116706 370312636 /nfs/dbraw/zinc/31/26/36/370312636.db2.gz FYSOAPZKGWGWDT-AWEZNQCLSA-N 2 1 263.385 2.093 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(=O)[nH]c1 ZINC000638116706 370312639 /nfs/dbraw/zinc/31/26/39/370312639.db2.gz FYSOAPZKGWGWDT-AWEZNQCLSA-N 2 1 263.385 2.093 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(=O)[nH]c1 ZINC000638116706 370312641 /nfs/dbraw/zinc/31/26/41/370312641.db2.gz FYSOAPZKGWGWDT-AWEZNQCLSA-N 2 1 263.385 2.093 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(=O)[nH]c1 ZINC000638116706 370312643 /nfs/dbraw/zinc/31/26/43/370312643.db2.gz FYSOAPZKGWGWDT-AWEZNQCLSA-N 2 1 263.385 2.093 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@](C)(CC)OC)C1 ZINC000638134266 370327919 /nfs/dbraw/zinc/32/79/19/370327919.db2.gz NPOFDNVSXBMWMQ-JKSUJKDBSA-N 2 1 286.460 2.234 20 0 CEADMP Cc1c(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cnn1C ZINC000226310424 370334051 /nfs/dbraw/zinc/33/40/51/370334051.db2.gz CETMAANTHZXFKX-WFASDCNBSA-N 2 1 264.417 2.129 20 0 CEADMP COC[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](COC)C2)C1 ZINC000354394953 370345532 /nfs/dbraw/zinc/34/55/32/370345532.db2.gz DLZPDWPAKXCCNF-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP COC[C@@H]1CC[N@@H+](CCCCC[NH+]2CC[C@H](COC)C2)C1 ZINC000354394953 370345535 /nfs/dbraw/zinc/34/55/35/370345535.db2.gz DLZPDWPAKXCCNF-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP COC[C@@H]1CC[N@H+](CCCCC[NH+]2CC[C@H](COC)C2)C1 ZINC000354394953 370345539 /nfs/dbraw/zinc/34/55/39/370345539.db2.gz DLZPDWPAKXCCNF-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP CCOC1CC(C[NH2+]C[C@@H](CC)[NH+]2CCCC2)C1 ZINC000638354834 370464020 /nfs/dbraw/zinc/46/40/20/370464020.db2.gz VOVPMGBIXOIVLH-SHARSMKWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](C[NH2+]Cc1cncc(F)c1)C[NH+]1CCCC1 ZINC000230938920 370471091 /nfs/dbraw/zinc/47/10/91/370471091.db2.gz DDDLEEJPTZFLBL-LBPRGKRZSA-N 2 1 251.349 2.042 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@@H](OCC)[C@@]23CCCO3)C1 ZINC000638408993 370507991 /nfs/dbraw/zinc/50/79/91/370507991.db2.gz HDLXPJLKEAITFL-YLFCFFPRSA-N 2 1 296.455 2.035 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2CCSCC2)C1 ZINC000638408458 370508643 /nfs/dbraw/zinc/50/86/43/370508643.db2.gz BDVSNHLPTMSLJA-AWEZNQCLSA-N 2 1 256.459 2.451 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000638437592 370530167 /nfs/dbraw/zinc/53/01/67/370530167.db2.gz OXWGSUHNJLRMMM-CABCVRRESA-N 2 1 295.471 2.288 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000638437592 370530169 /nfs/dbraw/zinc/53/01/69/370530169.db2.gz OXWGSUHNJLRMMM-CABCVRRESA-N 2 1 295.471 2.288 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(C(F)F)CC1 ZINC000355166663 370531558 /nfs/dbraw/zinc/53/15/58/370531558.db2.gz RFFDDHXSIHLKJS-UHFFFAOYSA-N 2 1 255.312 2.283 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000234354470 370535061 /nfs/dbraw/zinc/53/50/61/370535061.db2.gz CZPFCDBBXCVUII-UHFFFAOYSA-N 2 1 275.165 2.287 20 0 CEADMP COc1cc(C[C@H](C)[NH2+]CC[N@H+](C)C2CCCC2)ccn1 ZINC000638545504 370602771 /nfs/dbraw/zinc/60/27/71/370602771.db2.gz SSOCIFBCIWHBBZ-AWEZNQCLSA-N 2 1 291.439 2.485 20 0 CEADMP COc1cc(C[C@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)ccn1 ZINC000638545504 370602774 /nfs/dbraw/zinc/60/27/74/370602774.db2.gz SSOCIFBCIWHBBZ-AWEZNQCLSA-N 2 1 291.439 2.485 20 0 CEADMP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000638589716 370624369 /nfs/dbraw/zinc/62/43/69/370624369.db2.gz XRQOLPWLOLYNQI-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)[C@H](C)C1 ZINC000358290343 370996306 /nfs/dbraw/zinc/99/63/06/370996306.db2.gz DTAFYDCLTVPHEQ-PMPSAXMXSA-N 2 1 296.455 2.035 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H](OC)C1CCOCC1 ZINC000639175127 371048212 /nfs/dbraw/zinc/04/82/12/371048212.db2.gz IYBDBOUMQREIRW-MRXNPFEDSA-N 2 1 286.460 2.092 20 0 CEADMP C[N@@H+](CCC[C@@H]1CCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639163881 371038411 /nfs/dbraw/zinc/03/84/11/371038411.db2.gz XWXHJLNHBQMEPS-IZGVIRRGSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](CCC[C@@H]1CCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000639163881 371038414 /nfs/dbraw/zinc/03/84/14/371038414.db2.gz XWXHJLNHBQMEPS-IZGVIRRGSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](CCC[C@@H]1CCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000639163881 371038417 /nfs/dbraw/zinc/03/84/17/371038417.db2.gz XWXHJLNHBQMEPS-IZGVIRRGSA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)CC(C)C ZINC000639170798 371042822 /nfs/dbraw/zinc/04/28/22/371042822.db2.gz YSZMENGAHQNFKE-LSDHHAIUSA-N 2 1 256.434 2.367 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000247000372 371043950 /nfs/dbraw/zinc/04/39/50/371043950.db2.gz KREYNUWQVNAQTB-ZFWWWQNUSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000247000372 371043953 /nfs/dbraw/zinc/04/39/53/371043953.db2.gz KREYNUWQVNAQTB-ZFWWWQNUSA-N 2 1 276.428 2.119 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CCC2CCOCC2)C1 ZINC000639178320 371056899 /nfs/dbraw/zinc/05/68/99/371056899.db2.gz KDEDXADEAIYBOC-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CCC2CCOCC2)C1 ZINC000639178320 371056900 /nfs/dbraw/zinc/05/69/00/371056900.db2.gz KDEDXADEAIYBOC-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CCC2CCOCC2)C1 ZINC000639178320 371056903 /nfs/dbraw/zinc/05/69/03/371056903.db2.gz KDEDXADEAIYBOC-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000247060201 371057294 /nfs/dbraw/zinc/05/72/94/371057294.db2.gz NTLSILNSZMELGF-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247060201 371057301 /nfs/dbraw/zinc/05/73/01/371057301.db2.gz NTLSILNSZMELGF-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000247060201 371057305 /nfs/dbraw/zinc/05/73/05/371057305.db2.gz NTLSILNSZMELGF-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21)OC ZINC000639178132 371057812 /nfs/dbraw/zinc/05/78/12/371057812.db2.gz IPYUOTZERPLUSB-FZKCQIBNSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)OC ZINC000639178132 371057817 /nfs/dbraw/zinc/05/78/17/371057817.db2.gz IPYUOTZERPLUSB-FZKCQIBNSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)OC ZINC000639178132 371057823 /nfs/dbraw/zinc/05/78/23/371057823.db2.gz IPYUOTZERPLUSB-FZKCQIBNSA-N 2 1 268.445 2.464 20 0 CEADMP COCC1(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)CCC1 ZINC000639179040 371058461 /nfs/dbraw/zinc/05/84/61/371058461.db2.gz RDHMUKTVMUBREL-KGLIPLIRSA-N 2 1 254.418 2.075 20 0 CEADMP COCC1(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)CCC1 ZINC000639179040 371058465 /nfs/dbraw/zinc/05/84/65/371058465.db2.gz RDHMUKTVMUBREL-KGLIPLIRSA-N 2 1 254.418 2.075 20 0 CEADMP COCC1(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)CCC1 ZINC000639179040 371058466 /nfs/dbraw/zinc/05/84/66/371058466.db2.gz RDHMUKTVMUBREL-KGLIPLIRSA-N 2 1 254.418 2.075 20 0 CEADMP COCC1(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000639179040 371058470 /nfs/dbraw/zinc/05/84/70/371058470.db2.gz RDHMUKTVMUBREL-KGLIPLIRSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@H](CC(C)C)C[N@@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000639180699 371060438 /nfs/dbraw/zinc/06/04/38/371060438.db2.gz XJPCFEDWDJRVNG-KFWWJZLASA-N 2 1 256.434 2.320 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000639180699 371060442 /nfs/dbraw/zinc/06/04/42/371060442.db2.gz XJPCFEDWDJRVNG-KFWWJZLASA-N 2 1 256.434 2.320 20 0 CEADMP CO[C@H](CC(C)C)C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000639180699 371060446 /nfs/dbraw/zinc/06/04/46/371060446.db2.gz XJPCFEDWDJRVNG-KFWWJZLASA-N 2 1 256.434 2.320 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000639180699 371060449 /nfs/dbraw/zinc/06/04/49/371060449.db2.gz XJPCFEDWDJRVNG-KFWWJZLASA-N 2 1 256.434 2.320 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000639180699 371060452 /nfs/dbraw/zinc/06/04/52/371060452.db2.gz XJPCFEDWDJRVNG-KFWWJZLASA-N 2 1 256.434 2.320 20 0 CEADMP CO[C@H](CC(C)C)C[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000639180703 371060820 /nfs/dbraw/zinc/06/08/20/371060820.db2.gz XJPCFEDWDJRVNG-RRFJBIMHSA-N 2 1 256.434 2.320 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000639180703 371060828 /nfs/dbraw/zinc/06/08/28/371060828.db2.gz XJPCFEDWDJRVNG-RRFJBIMHSA-N 2 1 256.434 2.320 20 0 CEADMP CO[C@H](CC(C)C)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000639180703 371060832 /nfs/dbraw/zinc/06/08/32/371060832.db2.gz XJPCFEDWDJRVNG-RRFJBIMHSA-N 2 1 256.434 2.320 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000639180703 371060837 /nfs/dbraw/zinc/06/08/37/371060837.db2.gz XJPCFEDWDJRVNG-RRFJBIMHSA-N 2 1 256.434 2.320 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000639180703 371060842 /nfs/dbraw/zinc/06/08/42/371060842.db2.gz XJPCFEDWDJRVNG-RRFJBIMHSA-N 2 1 256.434 2.320 20 0 CEADMP C[C@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247116421 371066585 /nfs/dbraw/zinc/06/65/85/371066585.db2.gz XBVAKRXEQIHJIU-BARDWOONSA-N 2 1 297.487 2.340 20 0 CEADMP CO[C@@](C)(C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C1CC1 ZINC000639207323 371095951 /nfs/dbraw/zinc/09/59/51/371095951.db2.gz GYBHUALTTZHNOO-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@@](C)(C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C1CC1 ZINC000639207323 371095957 /nfs/dbraw/zinc/09/59/57/371095957.db2.gz GYBHUALTTZHNOO-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@@](C)(C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C1CC1 ZINC000639207323 371095963 /nfs/dbraw/zinc/09/59/63/371095963.db2.gz GYBHUALTTZHNOO-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](CO)C(C)C ZINC000639246942 371143776 /nfs/dbraw/zinc/14/37/76/371143776.db2.gz PUNMACWGVAJSRC-YHUYYLMFSA-N 2 1 270.461 2.348 20 0 CEADMP CC(C)[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](CO)C(C)C ZINC000639246942 371143780 /nfs/dbraw/zinc/14/37/80/371143780.db2.gz PUNMACWGVAJSRC-YHUYYLMFSA-N 2 1 270.461 2.348 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248178032 371168665 /nfs/dbraw/zinc/16/86/65/371168665.db2.gz VYGKNUDGAZKUFY-HRCADAONSA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248178032 371168668 /nfs/dbraw/zinc/16/86/68/371168668.db2.gz VYGKNUDGAZKUFY-HRCADAONSA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248178032 371168672 /nfs/dbraw/zinc/16/86/72/371168672.db2.gz VYGKNUDGAZKUFY-HRCADAONSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)[C@H]1C ZINC000248410227 371188565 /nfs/dbraw/zinc/18/85/65/371188565.db2.gz XSFIIIMYCIIQIT-IXDOHACOSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](C)[C@H]3C)COC2)[C@@H]1C ZINC000248407737 371189006 /nfs/dbraw/zinc/18/90/06/371189006.db2.gz BTZXGWIHWKFMPU-QKPAOTATSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](C)[C@H]3C)COC2)[C@@H]1C ZINC000248407737 371189007 /nfs/dbraw/zinc/18/90/07/371189007.db2.gz BTZXGWIHWKFMPU-QKPAOTATSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](C)[C@H]3C)COC2)[C@@H]1C ZINC000248407737 371189008 /nfs/dbraw/zinc/18/90/08/371189008.db2.gz BTZXGWIHWKFMPU-QKPAOTATSA-N 2 1 280.456 2.464 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000248827647 371251359 /nfs/dbraw/zinc/25/13/59/371251359.db2.gz GRTGIRPZBIFUSI-IFFAKLHKSA-N 2 1 279.472 2.466 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248827647 371251364 /nfs/dbraw/zinc/25/13/64/371251364.db2.gz GRTGIRPZBIFUSI-IFFAKLHKSA-N 2 1 279.472 2.466 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248827647 371251371 /nfs/dbraw/zinc/25/13/71/371251371.db2.gz GRTGIRPZBIFUSI-IFFAKLHKSA-N 2 1 279.472 2.466 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000249031917 371284732 /nfs/dbraw/zinc/28/47/32/371284732.db2.gz RJPFULMSWUPXFU-ZXLQMTARSA-N 2 1 266.429 2.405 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000248894572 371265604 /nfs/dbraw/zinc/26/56/04/371265604.db2.gz JHCQYVOIDKRHSS-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](C)O2)C1 ZINC000248894574 371265970 /nfs/dbraw/zinc/26/59/70/371265970.db2.gz JHCQYVOIDKRHSS-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000358918532 371266274 /nfs/dbraw/zinc/26/62/74/371266274.db2.gz WNNKUFCPXHUMCJ-CWRNSKLLSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000358918532 371266279 /nfs/dbraw/zinc/26/62/79/371266279.db2.gz WNNKUFCPXHUMCJ-CWRNSKLLSA-N 2 1 274.412 2.014 20 0 CEADMP CC[NH+](CC)CCCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000249110198 371296511 /nfs/dbraw/zinc/29/65/11/371296511.db2.gz VTLWAZZZGDVPIT-HOTGVXAUSA-N 2 1 267.461 2.134 20 0 CEADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000248976023 371277866 /nfs/dbraw/zinc/27/78/66/371277866.db2.gz DXIHPINBDXHCTC-UGUYLWEFSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000249279173 371308902 /nfs/dbraw/zinc/30/89/02/371308902.db2.gz MYUQDEZGABCTOG-YQQAZPJKSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000249279173 371308912 /nfs/dbraw/zinc/30/89/12/371308912.db2.gz MYUQDEZGABCTOG-YQQAZPJKSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249279173 371308918 /nfs/dbraw/zinc/30/89/18/371308918.db2.gz MYUQDEZGABCTOG-YQQAZPJKSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249279173 371308924 /nfs/dbraw/zinc/30/89/24/371308924.db2.gz MYUQDEZGABCTOG-YQQAZPJKSA-N 2 1 276.424 2.352 20 0 CEADMP c1ccc([C@H]2COCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359228690 371386349 /nfs/dbraw/zinc/38/63/49/371386349.db2.gz XFBUHXLCZVMUCA-QGZVFWFLSA-N 2 1 274.408 2.450 20 0 CEADMP c1c[nH+]c([C@@H]2CCCN(Cc3nc(CC4CC4)no3)C2)[nH]1 ZINC000639533405 371389197 /nfs/dbraw/zinc/38/91/97/371389197.db2.gz OKUKUMNKLBWTHC-GFCCVEGCSA-N 2 1 287.367 2.125 20 0 CEADMP C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C[NH+]1CCCCC1 ZINC000250868557 371393743 /nfs/dbraw/zinc/39/37/43/371393743.db2.gz RZGHMRNJHPDKDL-GVDBMIGSSA-N 3 1 279.472 2.373 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000359299428 371417038 /nfs/dbraw/zinc/41/70/38/371417038.db2.gz GKGBKMDPPGQNQI-LVQVYYBASA-N 2 1 284.444 2.033 20 0 CEADMP COC[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249937036 371371055 /nfs/dbraw/zinc/37/10/55/371371055.db2.gz SIDCLVQAMPGJLW-YCPHGPKFSA-N 2 1 266.429 2.218 20 0 CEADMP COC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249937036 371371059 /nfs/dbraw/zinc/37/10/59/371371059.db2.gz SIDCLVQAMPGJLW-YCPHGPKFSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000252157712 371433632 /nfs/dbraw/zinc/43/36/32/371433632.db2.gz NOTCOXKWTPGCSE-OWCLPIDISA-N 2 1 295.471 2.275 20 0 CEADMP COCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000253197630 371501492 /nfs/dbraw/zinc/50/14/92/371501492.db2.gz UZXSXZOLROTZPD-CZUORRHYSA-N 2 1 262.397 2.263 20 0 CEADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000360240601 371509001 /nfs/dbraw/zinc/50/90/01/371509001.db2.gz GIWQKUSZSMIRJU-SRCQZFHVSA-N 2 1 292.398 2.105 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000253367062 371509733 /nfs/dbraw/zinc/50/97/33/371509733.db2.gz UBXMFHGXYJPVIR-KBMXLJTQSA-N 2 1 292.398 2.210 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000253367062 371509738 /nfs/dbraw/zinc/50/97/38/371509738.db2.gz UBXMFHGXYJPVIR-KBMXLJTQSA-N 2 1 292.398 2.210 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC[NH+](C)C1CCCCC1 ZINC000360486495 371516441 /nfs/dbraw/zinc/51/64/41/371516441.db2.gz XHBZCUDSQUGZQX-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1NCC[N@H+](C)C1CCCCC1 ZINC000360486495 371516446 /nfs/dbraw/zinc/51/64/46/371516446.db2.gz XHBZCUDSQUGZQX-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1NCC[N@@H+](C)C1CCCCC1 ZINC000360486495 371516453 /nfs/dbraw/zinc/51/64/53/371516453.db2.gz XHBZCUDSQUGZQX-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCc2ccsc2)C1 ZINC000639765167 371553707 /nfs/dbraw/zinc/55/37/07/371553707.db2.gz HSLMICJGSKLRST-HNNXBMFYSA-N 2 1 282.453 2.069 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCc2ccsc2)C1 ZINC000639765167 371553715 /nfs/dbraw/zinc/55/37/15/371553715.db2.gz HSLMICJGSKLRST-HNNXBMFYSA-N 2 1 282.453 2.069 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000360954823 371560670 /nfs/dbraw/zinc/56/06/70/371560670.db2.gz HSVWFTKSXWAJTR-HUUCEWRRSA-N 2 1 297.487 2.391 20 0 CEADMP c1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc(C2CC2)c1 ZINC000261605732 371674950 /nfs/dbraw/zinc/67/49/50/371674950.db2.gz CWQIULQMNHFZJZ-SFHVURJKSA-N 2 1 285.435 2.044 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000259225050 371624471 /nfs/dbraw/zinc/62/44/71/371624471.db2.gz XSMXVDKJBUQXMC-IUCAKERBSA-N 2 1 275.215 2.480 20 0 CEADMP CC[C@](C)([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(F)cc1 ZINC000639927686 371678120 /nfs/dbraw/zinc/67/81/20/371678120.db2.gz GXENBJVALJIXEK-IRXDYDNUSA-N 2 1 294.414 2.496 20 0 CEADMP CC[C@](C)([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000639927686 371678124 /nfs/dbraw/zinc/67/81/24/371678124.db2.gz GXENBJVALJIXEK-IRXDYDNUSA-N 2 1 294.414 2.496 20 0 CEADMP CC1([NH+]2CCCC2)CC[NH+](CCOC2CCOCC2)CC1 ZINC000639983674 371712793 /nfs/dbraw/zinc/71/27/93/371712793.db2.gz LFSVDEGDLYUXOT-UHFFFAOYSA-N 2 1 296.455 2.132 20 0 CEADMP CCCO[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261753078 371720478 /nfs/dbraw/zinc/72/04/78/371720478.db2.gz KFLDQESYPSPHEW-HUUCEWRRSA-N 2 1 254.418 2.267 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000361243988 371736953 /nfs/dbraw/zinc/73/69/53/371736953.db2.gz LJMRZRCADBZVCU-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261850970 371749353 /nfs/dbraw/zinc/74/93/53/371749353.db2.gz MYKMXSPHWATFKB-HZPDHXFCSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@H]1COc2ccccc2C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262003799 371796915 /nfs/dbraw/zinc/79/69/15/371796915.db2.gz UKJRPOHWDLCMFC-KBPBESRZSA-N 2 1 260.381 2.269 20 0 CEADMP C[C@H]1COc2ccccc2C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262003799 371796923 /nfs/dbraw/zinc/79/69/23/371796923.db2.gz UKJRPOHWDLCMFC-KBPBESRZSA-N 2 1 260.381 2.269 20 0 CEADMP COCC[C@@H]1CCCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262005476 371797519 /nfs/dbraw/zinc/79/75/19/371797519.db2.gz LUBXHPRYTIQSNM-GJZGRUSLSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262046622 371811212 /nfs/dbraw/zinc/81/12/12/371811212.db2.gz ZBJXXDZQORCMHR-LSDHHAIUSA-N 2 1 284.407 2.432 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262046622 371811222 /nfs/dbraw/zinc/81/12/22/371811222.db2.gz ZBJXXDZQORCMHR-LSDHHAIUSA-N 2 1 284.407 2.432 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+](C)C1CC[NH2+]CC1 ZINC000262072028 371818799 /nfs/dbraw/zinc/81/87/99/371818799.db2.gz COVAMPLBJXSKMZ-UHFFFAOYSA-N 2 1 262.397 2.366 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)C[C@H]21 ZINC000262095451 371823440 /nfs/dbraw/zinc/82/34/40/371823440.db2.gz IHFUUEICQIYZRH-KBAYOESNSA-N 2 1 296.418 2.432 20 0 CEADMP CC(C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361578910 371944664 /nfs/dbraw/zinc/94/46/64/371944664.db2.gz ASQNGNZHFRGVAM-NVXWUHKLSA-N 2 1 276.424 2.258 20 0 CEADMP CC(C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361578910 371944668 /nfs/dbraw/zinc/94/46/68/371944668.db2.gz ASQNGNZHFRGVAM-NVXWUHKLSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000361585542 371949224 /nfs/dbraw/zinc/94/92/24/371949224.db2.gz PWFLSAVENGXKPA-PBHICJAKSA-N 2 1 274.408 2.012 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000361585542 371949229 /nfs/dbraw/zinc/94/92/29/371949229.db2.gz PWFLSAVENGXKPA-PBHICJAKSA-N 2 1 274.408 2.012 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](Cc2ncccn2)CC1 ZINC000361698021 372028460 /nfs/dbraw/zinc/02/84/60/372028460.db2.gz ACUFGHKLKWIAEP-UHFFFAOYSA-N 2 1 262.401 2.030 20 0 CEADMP CC[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)[NH+](CC)CC ZINC000361708170 372033435 /nfs/dbraw/zinc/03/34/35/372033435.db2.gz XUNDEPXZYQRODF-XHSDSOJGSA-N 2 1 295.471 2.050 20 0 CEADMP c1cn2c(cccc2CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000362039163 372181417 /nfs/dbraw/zinc/18/14/17/372181417.db2.gz MTVIBMWIKHANPS-PVAVHDDUSA-N 2 1 296.418 2.250 20 0 CEADMP COc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000268786163 372221832 /nfs/dbraw/zinc/22/18/32/372221832.db2.gz ZYYDSKGBLWESBN-BQGCOEIASA-N 2 1 292.423 2.047 20 0 CEADMP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000268828845 372244964 /nfs/dbraw/zinc/24/49/64/372244964.db2.gz ZXXXNTYEGJMWBD-NEPJUHHUSA-N 2 1 274.368 2.089 20 0 CEADMP Cc1ncc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)c(C)n1 ZINC000269056315 372327718 /nfs/dbraw/zinc/32/77/18/372327718.db2.gz WXEVFHUNGZURQJ-MNOVXSKESA-N 2 1 250.390 2.084 20 0 CEADMP Cc1[nH+]ccn1CCCCn1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000641149482 372348675 /nfs/dbraw/zinc/34/86/75/372348675.db2.gz GCHXAMWKAANUJA-CQSZACIVSA-N 2 1 290.415 2.309 20 0 CEADMP CC[NH+](CC)Cc1cn(C[C@@H]2CCCC[N@@H+]2C(C)C)nn1 ZINC000641167563 372362468 /nfs/dbraw/zinc/36/24/68/372362468.db2.gz QYEZXMUQDINLLH-INIZCTEOSA-N 2 1 293.459 2.383 20 0 CEADMP CC[NH+](CC)Cc1cn(C[C@@H]2CCCC[N@H+]2C(C)C)nn1 ZINC000641167563 372362479 /nfs/dbraw/zinc/36/24/79/372362479.db2.gz QYEZXMUQDINLLH-INIZCTEOSA-N 2 1 293.459 2.383 20 0 CEADMP C[NH+](C)C[C@@](C)(O)CNc1cc(C(C)(C)C)cc[nH+]1 ZINC000641459015 372510795 /nfs/dbraw/zinc/51/07/95/372510795.db2.gz PAUMQSMSTQOFJF-HNNXBMFYSA-N 2 1 265.401 2.104 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CC1CC[NH+](C)CC1 ZINC000362860680 372551585 /nfs/dbraw/zinc/55/15/85/372551585.db2.gz BLEWPZRNUUSAMI-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000641717401 372653789 /nfs/dbraw/zinc/65/37/89/372653789.db2.gz JJILUJRNLLMOPC-OWCLPIDISA-N 2 1 295.471 2.132 20 0 CEADMP C[NH+](C)[C@@H]1C[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1(C)C ZINC000641648536 372605398 /nfs/dbraw/zinc/60/53/98/372605398.db2.gz LPWSHWQNZYWIGF-GHMZBOCLSA-N 2 1 259.357 2.099 20 0 CEADMP CCc1noc(C2CCC([NH2+][C@H]3CCC[NH2+][C@H]3C)CC2)n1 ZINC000333086028 205019009 /nfs/dbraw/zinc/01/90/09/205019009.db2.gz BPQNQYAWYGIKBA-ABXWRUBCSA-N 2 1 292.427 2.388 20 0 CEADMP COc1cc(C)nc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000270272141 372726482 /nfs/dbraw/zinc/72/64/82/372726482.db2.gz LJKDGSZHQDQRRF-PBHICJAKSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000270272141 372726491 /nfs/dbraw/zinc/72/64/91/372726491.db2.gz LJKDGSZHQDQRRF-PBHICJAKSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000270272141 372726499 /nfs/dbraw/zinc/72/64/99/372726499.db2.gz LJKDGSZHQDQRRF-PBHICJAKSA-N 2 1 289.423 2.315 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)o1 ZINC000641799573 372740706 /nfs/dbraw/zinc/74/07/06/372740706.db2.gz XMFGTKPMKVSLOE-CMPLNLGQSA-N 2 1 251.374 2.105 20 0 CEADMP CC1(C)[C@H]([NH2+]Cc2ccc(C(F)(F)F)cn2)C[C@@H]1[NH3+] ZINC000641802807 372745429 /nfs/dbraw/zinc/74/54/29/372745429.db2.gz PFCKSDNDIAVZCF-WDEREUQCSA-N 2 1 273.302 2.316 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(F)c(F)c1 ZINC000641803127 372747844 /nfs/dbraw/zinc/74/78/44/372747844.db2.gz FGKKSPDXVRNRPG-ZEGGKSINSA-N 2 1 297.349 2.007 20 0 CEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)O1 ZINC000364533358 372748900 /nfs/dbraw/zinc/74/89/00/372748900.db2.gz KQQVFBCFPYNFQU-WRQOLXDDSA-N 2 1 296.455 2.033 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1cccc(Cl)c1 ZINC000641807952 372754066 /nfs/dbraw/zinc/75/40/66/372754066.db2.gz WDCSBGWZXWRWHS-BIMULSAOSA-N 2 1 295.814 2.382 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(F)cc1F ZINC000641809614 372756173 /nfs/dbraw/zinc/75/61/73/372756173.db2.gz XFWCWOHIBLNKEW-ZEGGKSINSA-N 2 1 297.349 2.007 20 0 CEADMP CCC(F)(F)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000641824646 372767734 /nfs/dbraw/zinc/76/77/34/372767734.db2.gz WEYVQQXTCONKND-RWMBFGLXSA-N 2 1 276.371 2.250 20 0 CEADMP CCC(F)(F)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000641824646 372767745 /nfs/dbraw/zinc/76/77/45/372767745.db2.gz WEYVQQXTCONKND-RWMBFGLXSA-N 2 1 276.371 2.250 20 0 CEADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000365270929 372813945 /nfs/dbraw/zinc/81/39/45/372813945.db2.gz GEDRQPZIUAHESF-HNNXBMFYSA-N 2 1 293.480 2.208 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1-n1cncn1 ZINC000344662169 217267154 /nfs/dbraw/zinc/26/71/54/217267154.db2.gz FRNOMPDZWRMFJB-GDBMZVCRSA-N 2 1 299.422 2.148 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000353486360 220110350 /nfs/dbraw/zinc/11/03/50/220110350.db2.gz XQRDWWSRJXNCFM-KKUMJFAQSA-N 2 1 255.450 2.179 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353486360 220110351 /nfs/dbraw/zinc/11/03/51/220110351.db2.gz XQRDWWSRJXNCFM-KKUMJFAQSA-N 2 1 255.450 2.179 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353486360 220110353 /nfs/dbraw/zinc/11/03/53/220110353.db2.gz XQRDWWSRJXNCFM-KKUMJFAQSA-N 2 1 255.450 2.179 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000353493619 220115299 /nfs/dbraw/zinc/11/52/99/220115299.db2.gz XFJXSLAOACQBFC-IJEWVQPXSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000353493619 220115300 /nfs/dbraw/zinc/11/53/00/220115300.db2.gz XFJXSLAOACQBFC-IJEWVQPXSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000353493619 220115303 /nfs/dbraw/zinc/11/53/03/220115303.db2.gz XFJXSLAOACQBFC-IJEWVQPXSA-N 2 1 267.461 2.179 20 0 CEADMP Cc1cc(N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc(C)[nH+]1 ZINC000643044016 372932862 /nfs/dbraw/zinc/93/28/62/372932862.db2.gz MBLSTXZCOSIRRW-CABCVRRESA-N 2 1 274.412 2.309 20 0 CEADMP COCCSCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000365842496 372948640 /nfs/dbraw/zinc/94/86/40/372948640.db2.gz CFUFXMWDVDVGGA-OWCLPIDISA-N 2 1 298.496 2.172 20 0 CEADMP COCCSCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365842496 372948644 /nfs/dbraw/zinc/94/86/44/372948644.db2.gz CFUFXMWDVDVGGA-OWCLPIDISA-N 2 1 298.496 2.172 20 0 CEADMP C[N@@H+]1CC[C@@H](C[NH2+]C[C@H]2CCSC2)[C@@H]1c1cccnc1 ZINC000365948417 372963446 /nfs/dbraw/zinc/96/34/46/372963446.db2.gz WUJYISYFCQNYEA-KBMXLJTQSA-N 2 1 291.464 2.417 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCSC2)[C@@H]1c1cccnc1 ZINC000365948417 372963452 /nfs/dbraw/zinc/96/34/52/372963452.db2.gz WUJYISYFCQNYEA-KBMXLJTQSA-N 2 1 291.464 2.417 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCn2cnc3ccccc32)[C@H]2CCC[C@H]21 ZINC000353506452 220125179 /nfs/dbraw/zinc/12/51/79/220125179.db2.gz YNRIQSRVBDOPMM-HLLBOEOZSA-N 2 1 298.434 2.499 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(=O)Nc3ccccc32)CC[N@H+]1C ZINC000366207501 373004835 /nfs/dbraw/zinc/00/48/35/373004835.db2.gz BZOWMUOUMPPBOW-MCIONIFRSA-N 2 1 287.407 2.185 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(C)c1 ZINC000366258172 373017747 /nfs/dbraw/zinc/01/77/47/373017747.db2.gz HPHFSSVBSGPPCI-ZNMIVQPWSA-N 2 1 262.401 2.088 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cnn(C)c1 ZINC000366258172 373017751 /nfs/dbraw/zinc/01/77/51/373017751.db2.gz HPHFSSVBSGPPCI-ZNMIVQPWSA-N 2 1 262.401 2.088 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1C ZINC000366492987 373069556 /nfs/dbraw/zinc/06/95/56/373069556.db2.gz XJCCLDUQDLYMGF-KRWDZBQOSA-N 2 1 290.455 2.438 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1C ZINC000366492987 373069564 /nfs/dbraw/zinc/06/95/64/373069564.db2.gz XJCCLDUQDLYMGF-KRWDZBQOSA-N 2 1 290.455 2.438 20 0 CEADMP CCCn1nc(C)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1C ZINC000366492987 373069577 /nfs/dbraw/zinc/06/95/77/373069577.db2.gz XJCCLDUQDLYMGF-KRWDZBQOSA-N 2 1 290.455 2.438 20 0 CEADMP CCCn1nc(C)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC000366492987 373069586 /nfs/dbraw/zinc/06/95/86/373069586.db2.gz XJCCLDUQDLYMGF-KRWDZBQOSA-N 2 1 290.455 2.438 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCNc2ccccn2)[C@@H]2CCC[C@@H]21 ZINC000367640326 373171630 /nfs/dbraw/zinc/17/16/30/373171630.db2.gz ZUDONGHOVHSSFS-JYJNAYRXSA-N 2 1 288.439 2.346 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000367451578 373154386 /nfs/dbraw/zinc/15/43/86/373154386.db2.gz RILXXYIPFIGHOH-LSDHHAIUSA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000367451578 373154390 /nfs/dbraw/zinc/15/43/90/373154390.db2.gz RILXXYIPFIGHOH-LSDHHAIUSA-N 2 1 263.385 2.225 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[NH2+]C1CC1 ZINC000643506369 373166355 /nfs/dbraw/zinc/16/63/55/373166355.db2.gz UHJBVXRYAOIOHB-MAUKXSAKSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462742 373130022 /nfs/dbraw/zinc/13/00/22/373130022.db2.gz JJZKSJQCHGHUJK-JCGIZDLHSA-N 2 1 287.451 2.019 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCC23CCOCC3)CCCO1 ZINC000367092661 373135285 /nfs/dbraw/zinc/13/52/85/373135285.db2.gz GUUDCSLHRMKNGI-HOTGVXAUSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCC23CCOCC3)CCCO1 ZINC000367092661 373135295 /nfs/dbraw/zinc/13/52/95/373135295.db2.gz GUUDCSLHRMKNGI-HOTGVXAUSA-N 2 1 296.455 2.036 20 0 CEADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000353562298 220160711 /nfs/dbraw/zinc/16/07/11/220160711.db2.gz MPJUVNNJOOVXFN-UKRRQHHQSA-N 2 1 283.460 2.083 20 0 CEADMP C[C@]1(C[NH2+][C@H]2CCCc3cccnc32)CCC[NH2+]C1 ZINC000643518710 373175686 /nfs/dbraw/zinc/17/56/86/373175686.db2.gz PEOOZICERXKWFF-HOCLYGCPSA-N 2 1 259.397 2.438 20 0 CEADMP COc1ccc(C)cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000353571520 220164005 /nfs/dbraw/zinc/16/40/05/220164005.db2.gz RVKLKSDXPCCPIU-CQSZACIVSA-N 2 1 262.397 2.387 20 0 CEADMP COc1ccc(C)cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000353571520 220164007 /nfs/dbraw/zinc/16/40/07/220164007.db2.gz RVKLKSDXPCCPIU-CQSZACIVSA-N 2 1 262.397 2.387 20 0 CEADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643527592 373185365 /nfs/dbraw/zinc/18/53/65/373185365.db2.gz OXGIDZPNMNXMJL-SUMWQHHRSA-N 2 1 285.391 2.311 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000344943250 217363034 /nfs/dbraw/zinc/36/30/34/217363034.db2.gz GKRQIUJRLBHHSN-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(CO)cc1 ZINC000272341556 373438484 /nfs/dbraw/zinc/43/84/84/373438484.db2.gz OWXXWUGIEMDUJP-KRWDZBQOSA-N 2 1 276.424 2.485 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(CO)cc1 ZINC000272341556 373438491 /nfs/dbraw/zinc/43/84/91/373438491.db2.gz OWXXWUGIEMDUJP-KRWDZBQOSA-N 2 1 276.424 2.485 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(CO)cc1 ZINC000272341556 373438496 /nfs/dbraw/zinc/43/84/96/373438496.db2.gz OWXXWUGIEMDUJP-KRWDZBQOSA-N 2 1 276.424 2.485 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(CO)cc1 ZINC000272341556 373438501 /nfs/dbraw/zinc/43/85/01/373438501.db2.gz OWXXWUGIEMDUJP-KRWDZBQOSA-N 2 1 276.424 2.485 20 0 CEADMP CCCCCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369586251 373463522 /nfs/dbraw/zinc/46/35/22/373463522.db2.gz XFXGVWXKKDPNMD-INIZCTEOSA-N 2 1 267.461 2.279 20 0 CEADMP CN(C)c1cccnc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353621004 220196760 /nfs/dbraw/zinc/19/67/60/220196760.db2.gz KHNGUWWBBKDFRH-IIAWOOMASA-N 2 1 288.439 2.110 20 0 CEADMP CN(C)c1cccnc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353621004 220196762 /nfs/dbraw/zinc/19/67/62/220196762.db2.gz KHNGUWWBBKDFRH-IIAWOOMASA-N 2 1 288.439 2.110 20 0 CEADMP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)Nc1ccccc1 ZINC000644521978 373508516 /nfs/dbraw/zinc/50/85/16/373508516.db2.gz MKWOCPMOUYJNOR-CVEARBPZSA-N 2 1 287.407 2.232 20 0 CEADMP O=C(CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)Nc1ccccc1 ZINC000644521978 373508524 /nfs/dbraw/zinc/50/85/24/373508524.db2.gz MKWOCPMOUYJNOR-CVEARBPZSA-N 2 1 287.407 2.232 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC(C)(F)F ZINC000644655654 373584810 /nfs/dbraw/zinc/58/48/10/373584810.db2.gz QBDYLHBBNPTIOR-AWEZNQCLSA-N 2 1 286.366 2.114 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC(C)(F)F ZINC000644655654 373584819 /nfs/dbraw/zinc/58/48/19/373584819.db2.gz QBDYLHBBNPTIOR-AWEZNQCLSA-N 2 1 286.366 2.114 20 0 CEADMP C[C@@H](O)C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000644569820 373537108 /nfs/dbraw/zinc/53/71/08/373537108.db2.gz CCFZOTQXHUPRAX-ZIAGYGMSSA-N 2 1 262.397 2.182 20 0 CEADMP C[C@H]([NH2+]CCn1ccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272553279 373548706 /nfs/dbraw/zinc/54/87/06/373548706.db2.gz SXSBLEUOBBBAMR-FUHWJXTLSA-N 2 1 298.434 2.383 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000644609039 373557825 /nfs/dbraw/zinc/55/78/25/373557825.db2.gz MUVFVMPAMWFEHA-YOEHRIQHSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000644609039 373557831 /nfs/dbraw/zinc/55/78/31/373557831.db2.gz MUVFVMPAMWFEHA-YOEHRIQHSA-N 2 1 276.424 2.258 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370698071 373719069 /nfs/dbraw/zinc/71/90/69/373719069.db2.gz IDZFGFMRHRDDRL-NVXWUHKLSA-N 2 1 281.488 2.380 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@H](C)C[NH+]2CCCCC2)n1 ZINC000370750336 373739495 /nfs/dbraw/zinc/73/94/95/373739495.db2.gz PPJJUPJHRFGJEQ-CQSZACIVSA-N 2 1 299.422 2.284 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N2CCC(C[NH+](C)C)CC2)n1 ZINC000370749287 373739823 /nfs/dbraw/zinc/73/98/23/373739823.db2.gz KAQZWLQUJSSLPI-UHFFFAOYSA-N 2 1 299.422 2.354 20 0 CEADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289548821 197399149 /nfs/dbraw/zinc/39/91/49/197399149.db2.gz DBXKAIYPGKZTEM-IAGOWNOFSA-N 2 1 276.424 2.428 20 0 CEADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289548821 197399150 /nfs/dbraw/zinc/39/91/50/197399150.db2.gz DBXKAIYPGKZTEM-IAGOWNOFSA-N 2 1 276.424 2.428 20 0 CEADMP Cn1cc(-c2cccc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)c2)cn1 ZINC000371403600 373870362 /nfs/dbraw/zinc/87/03/62/373870362.db2.gz VKEZDFUBQXZTJO-INIZCTEOSA-N 2 1 298.434 2.471 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(Br)nc1 ZINC000289530763 197392507 /nfs/dbraw/zinc/39/25/07/197392507.db2.gz BEEKWWPNNULVKS-JTQLQIEISA-N 2 1 286.217 2.446 20 0 CEADMP CCc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)c2ccccc2[nH+]1 ZINC000371801963 373983044 /nfs/dbraw/zinc/98/30/44/373983044.db2.gz ITMVODCPVGNLAX-HNNXBMFYSA-N 2 1 297.402 2.318 20 0 CEADMP CCc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)c2ccccc2[nH+]1 ZINC000371801963 373983053 /nfs/dbraw/zinc/98/30/53/373983053.db2.gz ITMVODCPVGNLAX-HNNXBMFYSA-N 2 1 297.402 2.318 20 0 CEADMP C[N@H+]1CC[C@H](CNC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000371854362 373992542 /nfs/dbraw/zinc/99/25/42/373992542.db2.gz UUYVCZDZBLRRPJ-AEFFLSMTSA-N 2 1 287.451 2.363 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCF ZINC000274799934 374052505 /nfs/dbraw/zinc/05/25/05/374052505.db2.gz FBHWUJSMBNEMJD-DZGCQCFKSA-N 2 1 250.361 2.456 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCF ZINC000274799934 374052512 /nfs/dbraw/zinc/05/25/12/374052512.db2.gz FBHWUJSMBNEMJD-DZGCQCFKSA-N 2 1 250.361 2.456 20 0 CEADMP CC(C)COCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000372816056 374205273 /nfs/dbraw/zinc/20/52/73/374205273.db2.gz XASBERKTFXNSMH-GJZGRUSLSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)COCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000372816056 374205278 /nfs/dbraw/zinc/20/52/78/374205278.db2.gz XASBERKTFXNSMH-GJZGRUSLSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)COCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000372816056 374205284 /nfs/dbraw/zinc/20/52/84/374205284.db2.gz XASBERKTFXNSMH-GJZGRUSLSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)COCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000372816058 374205587 /nfs/dbraw/zinc/20/55/87/374205587.db2.gz XASBERKTFXNSMH-LSDHHAIUSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)COCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000372816058 374205593 /nfs/dbraw/zinc/20/55/93/374205593.db2.gz XASBERKTFXNSMH-LSDHHAIUSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)COCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000372816058 374205597 /nfs/dbraw/zinc/20/55/97/374205597.db2.gz XASBERKTFXNSMH-LSDHHAIUSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)COCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000372816055 374206001 /nfs/dbraw/zinc/20/60/01/374206001.db2.gz XASBERKTFXNSMH-CABCVRRESA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)COCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000372816055 374206007 /nfs/dbraw/zinc/20/60/07/374206007.db2.gz XASBERKTFXNSMH-CABCVRRESA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)COCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000372816055 374206013 /nfs/dbraw/zinc/20/60/13/374206013.db2.gz XASBERKTFXNSMH-CABCVRRESA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000374460700 374577473 /nfs/dbraw/zinc/57/74/73/374577473.db2.gz HUSULBWBWWIPCJ-CYBMUJFWSA-N 2 1 292.427 2.297 20 0 CEADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@@H]1CCCC13CCOCC3)C2 ZINC000376740565 374725224 /nfs/dbraw/zinc/72/52/24/374725224.db2.gz WLWAIQWHUXKLHS-LSDHHAIUSA-N 2 1 289.423 2.384 20 0 CEADMP C[C@H]([NH2+]CCCCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279479323 374891316 /nfs/dbraw/zinc/89/13/16/374891316.db2.gz KQCOMXIYJCZWLL-RDJZCZTQSA-N 2 1 276.424 2.259 20 0 CEADMP CCC[C@@]1(CO)CC[N@@H+](CCCn2ccnc2C)C1 ZINC000377597783 374894550 /nfs/dbraw/zinc/89/45/50/374894550.db2.gz LQGLQMGTAKVFOW-OAHLLOKOSA-N 2 1 265.401 2.066 20 0 CEADMP CCC[C@@]1(CO)CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000377597783 374894556 /nfs/dbraw/zinc/89/45/56/374894556.db2.gz LQGLQMGTAKVFOW-OAHLLOKOSA-N 2 1 265.401 2.066 20 0 CEADMP CCC[C@@]1(CO)CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000377597783 374894564 /nfs/dbraw/zinc/89/45/64/374894564.db2.gz LQGLQMGTAKVFOW-OAHLLOKOSA-N 2 1 265.401 2.066 20 0 CEADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCCc3[nH+]ccn32)c1 ZINC000377786617 374951953 /nfs/dbraw/zinc/95/19/53/374951953.db2.gz VIQCCVRPYIVVHQ-HNNXBMFYSA-N 2 1 298.390 2.461 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C12CCC2 ZINC000378456516 375105584 /nfs/dbraw/zinc/10/55/84/375105584.db2.gz OOKYRMIQDMWSFU-HUUCEWRRSA-N 2 1 264.413 2.186 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000382016708 375183243 /nfs/dbraw/zinc/18/32/43/375183243.db2.gz WIAOTRBEEXTZRK-CYBMUJFWSA-N 2 1 299.459 2.221 20 0 CEADMP C[NH2+]CCC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000384138051 375207243 /nfs/dbraw/zinc/20/72/43/375207243.db2.gz XKXQJPBGLAOXTM-MRXNPFEDSA-N 2 1 262.397 2.135 20 0 CEADMP COc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1Br ZINC000384878864 375221064 /nfs/dbraw/zinc/22/10/64/375221064.db2.gz HWGXMYPDVVRUHB-UHFFFAOYSA-N 2 1 299.212 2.379 20 0 CEADMP COc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1Br ZINC000384878864 375221069 /nfs/dbraw/zinc/22/10/69/375221069.db2.gz HWGXMYPDVVRUHB-UHFFFAOYSA-N 2 1 299.212 2.379 20 0 CEADMP C[N@@H+](CCOc1ccc(Br)cc1)C1CC([NH3+])C1 ZINC000384987220 375224348 /nfs/dbraw/zinc/22/43/48/375224348.db2.gz ZWVQFWWVUOHWLT-UHFFFAOYSA-N 2 1 299.212 2.249 20 0 CEADMP COc1ccccc1CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386584007 375262760 /nfs/dbraw/zinc/26/27/60/375262760.db2.gz POVYDSLFXBKMAK-HIFRSBDPSA-N 2 1 262.397 2.358 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000386670072 375264111 /nfs/dbraw/zinc/26/41/11/375264111.db2.gz CDGHRPWDATWMTN-GASCZTMLSA-N 2 1 290.407 2.135 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)nn1C ZINC000282320130 375456580 /nfs/dbraw/zinc/45/65/80/375456580.db2.gz UGEWLYIOKMEDNA-WCQYABFASA-N 2 1 275.400 2.220 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000412418339 375554143 /nfs/dbraw/zinc/55/41/43/375554143.db2.gz LWNLRCFPQUVDKT-LSDHHAIUSA-N 2 1 283.460 2.001 20 0 CEADMP C[N@@H+](CCN1CC[NH+](C)CC1(C)C)Cc1ccccc1 ZINC000284027866 375797051 /nfs/dbraw/zinc/79/70/51/375797051.db2.gz OPDNEHNMSNQEBR-UHFFFAOYSA-N 2 1 275.440 2.144 20 0 CEADMP C[NH+](CCN1CC[N@H+](C)CC1(C)C)Cc1ccccc1 ZINC000284027866 375797054 /nfs/dbraw/zinc/79/70/54/375797054.db2.gz OPDNEHNMSNQEBR-UHFFFAOYSA-N 2 1 275.440 2.144 20 0 CEADMP C[NH+](CCN1CC[N@@H+](C)CC1(C)C)Cc1ccccc1 ZINC000284027866 375797056 /nfs/dbraw/zinc/79/70/56/375797056.db2.gz OPDNEHNMSNQEBR-UHFFFAOYSA-N 2 1 275.440 2.144 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H](C)CC(F)(F)F)CC1 ZINC000414260739 375808516 /nfs/dbraw/zinc/80/85/16/375808516.db2.gz GOLOZBSAPCCYNW-NSHDSACASA-N 2 1 282.350 2.275 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)[C@H](C)C1 ZINC000414279067 375817943 /nfs/dbraw/zinc/81/79/43/375817943.db2.gz IRZTWPFCCWKYLS-SEBNEYGDSA-N 2 1 254.418 2.120 20 0 CEADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000414280799 375818624 /nfs/dbraw/zinc/81/86/24/375818624.db2.gz ADGPISHXOYQBFS-UAGQMJEPSA-N 2 1 292.398 2.118 20 0 CEADMP COc1cccc(OC)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000286162616 375860746 /nfs/dbraw/zinc/86/07/46/375860746.db2.gz WKBVQNCFGGWUII-UHFFFAOYSA-N 2 1 276.380 2.055 20 0 CEADMP COc1cccc(OC)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000286162616 375860754 /nfs/dbraw/zinc/86/07/54/375860754.db2.gz WKBVQNCFGGWUII-UHFFFAOYSA-N 2 1 276.380 2.055 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787162 375969785 /nfs/dbraw/zinc/96/97/85/375969785.db2.gz VCPKHJDWHRMSTH-HUUCEWRRSA-N 2 1 276.428 2.286 20 0 CEADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414788526 375970765 /nfs/dbraw/zinc/97/07/65/375970765.db2.gz WWMLINHVNMHSEQ-HOTGVXAUSA-N 2 1 290.455 2.460 20 0 CEADMP c1cc2c(c(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c1)OCO2 ZINC000414788895 375971163 /nfs/dbraw/zinc/97/11/63/375971163.db2.gz XLZQCMKBRWVYEM-KBPBESRZSA-N 2 1 288.391 2.237 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2nccn2C(F)F)CC[NH2+]1 ZINC000414678395 375912947 /nfs/dbraw/zinc/91/29/47/375912947.db2.gz QRBXAFBZGZGAEQ-WDEREUQCSA-N 2 1 272.343 2.098 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2COc3ccccc3O2)CC[NH2+]1 ZINC000414676864 375913359 /nfs/dbraw/zinc/91/33/59/375913359.db2.gz IAARFUXALGGKNO-QLFBSQMISA-N 2 1 290.407 2.146 20 0 CEADMP COc1ccc([C@H]2CCC[N@H+]2CCC[NH3+])c(OC)c1 ZINC000414677438 375913664 /nfs/dbraw/zinc/91/36/64/375913664.db2.gz JBWFAJQIZQANTQ-CQSZACIVSA-N 2 1 264.369 2.190 20 0 CEADMP C[N@@H+](CCC[NH3+])CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000414690233 375920756 /nfs/dbraw/zinc/92/07/56/375920756.db2.gz MYTZVQJKYMUWQY-UHFFFAOYSA-N 2 1 290.386 2.429 20 0 CEADMP C[N@H+](CCC[NH3+])CCCc1cc(-c2cccc(F)c2)[nH]n1 ZINC000414690233 375920761 /nfs/dbraw/zinc/92/07/61/375920761.db2.gz MYTZVQJKYMUWQY-UHFFFAOYSA-N 2 1 290.386 2.429 20 0 CEADMP C[N@@H+](CCC[NH3+])CCCc1cc(-c2cccc(F)c2)[nH]n1 ZINC000414690233 375920766 /nfs/dbraw/zinc/92/07/66/375920766.db2.gz MYTZVQJKYMUWQY-UHFFFAOYSA-N 2 1 290.386 2.429 20 0 CEADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCC[NH3+])C12CCCCC2 ZINC000414691926 375921424 /nfs/dbraw/zinc/92/14/24/375921424.db2.gz CEVDQIWASXXIFR-KGLIPLIRSA-N 2 1 254.418 2.395 20 0 CEADMP COc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OC(C)C ZINC000414795244 375978652 /nfs/dbraw/zinc/97/86/52/375978652.db2.gz WVQQBPLYHZLOCH-UHFFFAOYSA-N 2 1 278.396 2.324 20 0 CEADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000414701932 375928010 /nfs/dbraw/zinc/92/80/10/375928010.db2.gz HDVOJIUUEJGFKU-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000414701932 375928017 /nfs/dbraw/zinc/92/80/17/375928017.db2.gz HDVOJIUUEJGFKU-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1ccc([C@@H]2CSCC[N@H+]2CCC[NH3+])cc1 ZINC000414700046 375928859 /nfs/dbraw/zinc/92/88/59/375928859.db2.gz KBQZFIHBIZECGU-AWEZNQCLSA-N 2 1 250.411 2.434 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414704657 375932396 /nfs/dbraw/zinc/93/23/96/375932396.db2.gz KROYRHBQFZGVSL-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414707932 375934257 /nfs/dbraw/zinc/93/42/57/375934257.db2.gz PIFXOJZCVQVZHZ-HOTGVXAUSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)CC[NH2+]1 ZINC000414707894 375934414 /nfs/dbraw/zinc/93/44/14/375934414.db2.gz PFPROSDAAVQMPC-CKEIUWERSA-N 2 1 290.407 2.154 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000414709238 375934519 /nfs/dbraw/zinc/93/45/19/375934519.db2.gz PUMJWSGFKZCXBE-CQSZACIVSA-N 2 1 255.450 2.038 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC[NH2+]1 ZINC000414710048 375935790 /nfs/dbraw/zinc/93/57/90/375935790.db2.gz PKTYYIZGJUFUGD-YFHUEUNASA-N 3 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]1 ZINC000414710048 375935796 /nfs/dbraw/zinc/93/57/96/375935796.db2.gz PKTYYIZGJUFUGD-YFHUEUNASA-N 3 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]1 ZINC000414710048 375935801 /nfs/dbraw/zinc/93/58/01/375935801.db2.gz PKTYYIZGJUFUGD-YFHUEUNASA-N 3 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CC[NH2+]1 ZINC000414710048 375935807 /nfs/dbraw/zinc/93/58/07/375935807.db2.gz PKTYYIZGJUFUGD-YFHUEUNASA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CC[NH2+]1 ZINC000414710048 375935814 /nfs/dbraw/zinc/93/58/14/375935814.db2.gz PKTYYIZGJUFUGD-YFHUEUNASA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]1 ZINC000414710048 375935817 /nfs/dbraw/zinc/93/58/17/375935817.db2.gz PKTYYIZGJUFUGD-YFHUEUNASA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]1 ZINC000414710048 375935824 /nfs/dbraw/zinc/93/58/24/375935824.db2.gz PKTYYIZGJUFUGD-YFHUEUNASA-N 2 1 291.483 2.323 20 0 CEADMP CC(C)N(CC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000414715573 375937026 /nfs/dbraw/zinc/93/70/26/375937026.db2.gz RCVQRLBTTRUUDL-HZPDHXFCSA-N 2 1 269.477 2.425 20 0 CEADMP CC(C)N(CC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000414715573 375937033 /nfs/dbraw/zinc/93/70/33/375937033.db2.gz RCVQRLBTTRUUDL-HZPDHXFCSA-N 2 1 269.477 2.425 20 0 CEADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414814297 376002344 /nfs/dbraw/zinc/00/23/44/376002344.db2.gz RMVAFHUBUVYUMO-RISCZKNCSA-N 2 1 276.380 2.063 20 0 CEADMP C[C@H]([NH2+]Cc1cc(O)cc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000414820523 376005904 /nfs/dbraw/zinc/00/59/04/376005904.db2.gz JWSLXKSPSMVWOQ-CMPLNLGQSA-N 2 1 252.333 2.009 20 0 CEADMP CCc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000287616576 376277919 /nfs/dbraw/zinc/27/79/19/376277919.db2.gz SSPWYFHOLVGZMJ-IAOVAPTHSA-N 2 1 276.424 2.355 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287847296 376327391 /nfs/dbraw/zinc/32/73/91/376327391.db2.gz WOEGSXQZOFCIMX-CABCVRRESA-N 2 1 299.422 2.260 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOCC3CCC3)CC[C@@H]21 ZINC000419225342 376402362 /nfs/dbraw/zinc/40/23/62/376402362.db2.gz CODFXEAOPLATGR-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOCC3CCC3)CC[C@@H]21 ZINC000419225342 376402369 /nfs/dbraw/zinc/40/23/69/376402369.db2.gz CODFXEAOPLATGR-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOCC3CCC3)CC[C@@H]21 ZINC000419225342 376402375 /nfs/dbraw/zinc/40/23/75/376402375.db2.gz CODFXEAOPLATGR-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CN(Cc1cccc2nccn21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289588968 376410612 /nfs/dbraw/zinc/41/06/12/376410612.db2.gz KHKAQVVNLURVFR-MZBDJJRSSA-N 2 1 284.407 2.391 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289425006 376394994 /nfs/dbraw/zinc/39/49/94/376394994.db2.gz IHGHXKMPRXPRTH-QGZVFWFLSA-N 2 1 296.418 2.329 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289425006 376394997 /nfs/dbraw/zinc/39/49/97/376394997.db2.gz IHGHXKMPRXPRTH-QGZVFWFLSA-N 2 1 296.418 2.329 20 0 CEADMP Cc1ccncc1CCCN1CCC[C@]12CCOC2=O ZINC000289651870 376432171 /nfs/dbraw/zinc/43/21/71/376432171.db2.gz LOUGZRBUKWKMLR-MRXNPFEDSA-N 2 1 274.364 2.104 20 0 CEADMP CCCCCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419298451 376433287 /nfs/dbraw/zinc/43/32/87/376433287.db2.gz WDTHQEGBJWGGNO-CQSZACIVSA-N 2 1 295.471 2.288 20 0 CEADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000305781186 376488287 /nfs/dbraw/zinc/48/82/87/376488287.db2.gz OSGQMQZHAOYVDN-GOEBONIOSA-N 2 1 278.440 2.255 20 0 CEADMP CCc1nc(NCCC[NH+](CC)CC)cc(C)[nH+]1 ZINC000306056973 376535019 /nfs/dbraw/zinc/53/50/19/376535019.db2.gz RICZHXJCFPUHKQ-UHFFFAOYSA-N 2 1 250.390 2.491 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000558293322 376600258 /nfs/dbraw/zinc/60/02/58/376600258.db2.gz IYLHRWYEMBEYFK-LYYZXLFJSA-N 2 1 268.445 2.103 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CCC23CCOCC3)CCCC1 ZINC000558623754 376624422 /nfs/dbraw/zinc/62/44/22/376624422.db2.gz KSQYWOMHTLZCMC-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1CCOC1 ZINC000310706632 376633047 /nfs/dbraw/zinc/63/30/47/376633047.db2.gz INXAULMNDVBKIX-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@H](O)CN(C)C2CC2)c(C)s1 ZINC000311827996 376689049 /nfs/dbraw/zinc/68/90/49/376689049.db2.gz KVYUZGVABXJTRT-SMDDNHRTSA-N 2 1 282.453 2.471 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2C)C12CCC2 ZINC000311943449 376696008 /nfs/dbraw/zinc/69/60/08/376696008.db2.gz IFFKVNDYIFPJAD-KGLIPLIRSA-N 2 1 263.385 2.129 20 0 CEADMP Cc1ccncc1CCCN1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000290554365 376830733 /nfs/dbraw/zinc/83/07/33/376830733.db2.gz ZGEBTOYDADFAPW-DOTOQJQBSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccncc1CCCN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000290554365 376830740 /nfs/dbraw/zinc/83/07/40/376830740.db2.gz ZGEBTOYDADFAPW-DOTOQJQBSA-N 2 1 273.424 2.349 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@]1(CO)CCc2ccccc21 ZINC000365192144 284605764 /nfs/dbraw/zinc/60/57/64/284605764.db2.gz VLRXJFIJFMIPNO-KRWDZBQOSA-N 2 1 276.424 2.142 20 0 CEADMP c1ccc(C[N@@H+]2CCCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000323592207 376838086 /nfs/dbraw/zinc/83/80/86/376838086.db2.gz GHQYTILCBDPLLW-GOSISDBHSA-N 2 1 287.451 2.194 20 0 CEADMP Cc1nc(C)c(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)s1 ZINC000422891370 376853793 /nfs/dbraw/zinc/85/37/93/376853793.db2.gz VFKVVPHBPWMIFA-GWCFXTLKSA-N 2 1 267.442 2.423 20 0 CEADMP Cc1nc(-c2ccc(C[NH2+][C@@H](C)C3C[NH2+]C3)o2)cs1 ZINC000422936731 376865231 /nfs/dbraw/zinc/86/52/31/376865231.db2.gz FXRFBYSXWXKMKK-VIFPVBQESA-N 2 1 277.393 2.409 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(Br)s1)C1C[NH2+]C1 ZINC000422940340 376869182 /nfs/dbraw/zinc/86/91/82/376869182.db2.gz MZOGYLIQGSXCDK-SSDOTTSWSA-N 2 1 275.215 2.208 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000422950924 376873786 /nfs/dbraw/zinc/87/37/86/376873786.db2.gz XBSGRSZSIBDARC-MELADBBJSA-N 2 1 276.380 2.378 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422979938 376903730 /nfs/dbraw/zinc/90/37/30/376903730.db2.gz NXNCUMRKJXBRIL-ZNMIVQPWSA-N 2 1 256.434 2.294 20 0 CEADMP CC[NH+](CC)[C@H](CN[C@@H](C)C[C@H](C)[NH3+])c1ccco1 ZINC000422975368 376896813 /nfs/dbraw/zinc/89/68/13/376896813.db2.gz SPWNYAKDCJHBRE-MELADBBJSA-N 2 1 267.417 2.378 20 0 CEADMP CC(C)(C)N1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422988218 376909228 /nfs/dbraw/zinc/90/92/28/376909228.db2.gz JZAYDQVVJKACCK-UHFFFAOYSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000423016912 376932358 /nfs/dbraw/zinc/93/23/58/376932358.db2.gz NQKTVKFZRNLSKO-XJKSGUPXSA-N 2 1 258.409 2.379 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000423022112 376938864 /nfs/dbraw/zinc/93/88/64/376938864.db2.gz HEDVJYZJOVJVBF-MQYQWHSLSA-N 2 1 254.418 2.168 20 0 CEADMP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423023572 376939146 /nfs/dbraw/zinc/93/91/46/376939146.db2.gz KANSWBVTJKBCSO-QLFBSQMISA-N 2 1 292.423 2.298 20 0 CEADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000423041069 376946266 /nfs/dbraw/zinc/94/62/66/376946266.db2.gz INQSTEQEQIOZSC-TUVASFSCSA-N 2 1 254.418 2.168 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000290860415 376958940 /nfs/dbraw/zinc/95/89/40/376958940.db2.gz KINYABRKHVWLND-ZDUSSCGKSA-N 2 1 287.411 2.168 20 0 CEADMP C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCC[NH2+]1 ZINC000423129548 377027480 /nfs/dbraw/zinc/02/74/80/377027480.db2.gz FGJALAWSCMUQGJ-GWCFXTLKSA-N 2 1 287.329 2.373 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423132165 377033075 /nfs/dbraw/zinc/03/30/75/377033075.db2.gz BRSYJQMDISQING-KKUMJFAQSA-N 2 1 255.450 2.085 20 0 CEADMP COc1ccncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423136622 377034645 /nfs/dbraw/zinc/03/46/45/377034645.db2.gz VJMMORUSWUWQDA-RBSFLKMASA-N 2 1 275.396 2.101 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423143300 377042088 /nfs/dbraw/zinc/04/20/88/377042088.db2.gz WXHCHGAGZDKOAC-RBSFLKMASA-N 2 1 255.450 2.356 20 0 CEADMP Cc1cscc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423085469 376980251 /nfs/dbraw/zinc/98/02/51/376980251.db2.gz JZBYHSVCXHBASO-RRFJBIMHSA-N 2 1 280.437 2.303 20 0 CEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423101674 376996273 /nfs/dbraw/zinc/99/62/73/376996273.db2.gz WGSQIRMOSZJOBT-CWVYHPPDSA-N 2 1 266.429 2.169 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@H](C)c1c[nH+]ccc1N ZINC000423101511 376996280 /nfs/dbraw/zinc/99/62/80/376996280.db2.gz DDIVENDMIJIFSI-OLZOCXBDSA-N 2 1 262.401 2.019 20 0 CEADMP FC1(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCC1 ZINC000423111201 377005139 /nfs/dbraw/zinc/00/51/39/377005139.db2.gz QGKPOFBGSFGIAE-MGPQQGTHSA-N 2 1 270.392 2.015 20 0 CEADMP [NH3+]CCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423195525 377110556 /nfs/dbraw/zinc/11/05/56/377110556.db2.gz STQJYLWBZVQQLD-RCCFBDPRSA-N 2 1 287.451 2.226 20 0 CEADMP [NH3+]CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423195525 377110571 /nfs/dbraw/zinc/11/05/71/377110571.db2.gz STQJYLWBZVQQLD-RCCFBDPRSA-N 3 1 287.451 2.226 20 0 CEADMP [NH3+]CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423195525 377110583 /nfs/dbraw/zinc/11/05/83/377110583.db2.gz STQJYLWBZVQQLD-RCCFBDPRSA-N 3 1 287.451 2.226 20 0 CEADMP C[NH2+]CCC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000563206734 377125919 /nfs/dbraw/zinc/12/59/19/377125919.db2.gz MLULVDLCHHQVCZ-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423156303 377059566 /nfs/dbraw/zinc/05/95/66/377059566.db2.gz RYZOKNYTYWLVRO-AVGNSLFASA-N 2 1 250.390 2.071 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423169862 377077924 /nfs/dbraw/zinc/07/79/24/377077924.db2.gz WREAQXIZFVQXHW-OAGGEKHMSA-N 2 1 279.472 2.371 20 0 CEADMP CC[C@@H]([NH2+][C@@H]1Cc2cccc(OC)c2C1)[C@@H]1CCC[NH2+]1 ZINC000423171813 377079507 /nfs/dbraw/zinc/07/95/07/377079507.db2.gz QBNLLDGKWJNPBW-BMFZPTHFSA-N 2 1 274.408 2.283 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423208978 377124688 /nfs/dbraw/zinc/12/46/88/377124688.db2.gz FVINMWLORLWHOE-AKHDSKFASA-N 2 1 299.462 2.381 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000423180726 377093221 /nfs/dbraw/zinc/09/32/21/377093221.db2.gz ITDXTTCQQJKYLY-LLVKDONJSA-N 2 1 265.376 2.294 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000423208085 377125121 /nfs/dbraw/zinc/12/51/21/377125121.db2.gz YSROMKXGGWFCEU-ZDUSSCGKSA-N 2 1 272.396 2.347 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423272057 377192614 /nfs/dbraw/zinc/19/26/14/377192614.db2.gz JPQQJKHKEBLTQU-XYJFISCASA-N 2 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423272057 377192618 /nfs/dbraw/zinc/19/26/18/377192618.db2.gz JPQQJKHKEBLTQU-XYJFISCASA-N 3 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423272057 377192629 /nfs/dbraw/zinc/19/26/29/377192629.db2.gz JPQQJKHKEBLTQU-XYJFISCASA-N 3 1 289.467 2.342 20 0 CEADMP C[NH2+]CC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423250582 377170152 /nfs/dbraw/zinc/17/01/52/377170152.db2.gz UPFWUSVZTJAHDM-AWEZNQCLSA-N 2 1 252.789 2.470 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1OC ZINC000423274558 377198172 /nfs/dbraw/zinc/19/81/72/377198172.db2.gz MHGGNZMAACYKKR-DGCLKSJQSA-N 2 1 266.385 2.338 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CN)C1CCCCC1 ZINC000423262382 377181547 /nfs/dbraw/zinc/18/15/47/377181547.db2.gz MHAYYHPEOKGBSV-DYVFJYSZSA-N 2 1 290.455 2.407 20 0 CEADMP COCCOc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423280854 377207639 /nfs/dbraw/zinc/20/76/39/377207639.db2.gz SXOZAZLVRYMJAV-MLGOLLRUSA-N 2 1 278.396 2.100 20 0 CEADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C(C)(C)C[NH+]1CCCC1 ZINC000563410395 377211028 /nfs/dbraw/zinc/21/10/28/377211028.db2.gz XVORMRYQZPHCLH-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000423283637 377212013 /nfs/dbraw/zinc/21/20/13/377212013.db2.gz XQXHGWKELHFKSM-SMDDNHRTSA-N 2 1 266.360 2.485 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc(-c2ccccc2)nn1C ZINC000423287633 377217233 /nfs/dbraw/zinc/21/72/33/377217233.db2.gz NOMKQUISBNCISK-GFCCVEGCSA-N 2 1 272.396 2.475 20 0 CEADMP COc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])c(C)c1OC ZINC000423337757 377267470 /nfs/dbraw/zinc/26/74/70/377267470.db2.gz VMMWAQPCFNFISM-MWLCHTKSSA-N 2 1 252.358 2.010 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000423292182 377222665 /nfs/dbraw/zinc/22/26/65/377222665.db2.gz LVUUAZCKFVXOLK-HEHGZKQESA-N 3 1 261.413 2.279 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000423292182 377222673 /nfs/dbraw/zinc/22/26/73/377222673.db2.gz LVUUAZCKFVXOLK-HEHGZKQESA-N 2 1 261.413 2.279 20 0 CEADMP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000423292182 377222679 /nfs/dbraw/zinc/22/26/79/377222679.db2.gz LVUUAZCKFVXOLK-HEHGZKQESA-N 2 1 261.413 2.279 20 0 CEADMP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000423292182 377222686 /nfs/dbraw/zinc/22/26/86/377222686.db2.gz LVUUAZCKFVXOLK-HEHGZKQESA-N 2 1 261.413 2.279 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCC23CC3)CC1 ZINC000563444057 377227058 /nfs/dbraw/zinc/22/70/58/377227058.db2.gz ZMDQGOQZPHDASR-INIZCTEOSA-N 2 1 279.472 2.182 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000423303416 377232486 /nfs/dbraw/zinc/23/24/86/377232486.db2.gz XBLQPAOQBLRGSJ-DGCLKSJQSA-N 2 1 291.395 2.186 20 0 CEADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423304223 377232895 /nfs/dbraw/zinc/23/28/95/377232895.db2.gz NPWQUDVNTGWGNG-VIFPVBQESA-N 2 1 253.415 2.445 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H](Cn1cccn1)C(C)C ZINC000423304811 377234053 /nfs/dbraw/zinc/23/40/53/377234053.db2.gz ZNXNUKPSAPBJEY-ZIAGYGMSSA-N 2 1 252.406 2.015 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C12CCCC2 ZINC000423305835 377235136 /nfs/dbraw/zinc/23/51/36/377235136.db2.gz RTQFTTGYHFJCTM-MJBXVCDLSA-N 2 1 252.402 2.066 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423304978 377235305 /nfs/dbraw/zinc/23/53/05/377235305.db2.gz ZUXDZJBOKBSJFZ-RFQIPJPRSA-N 2 1 252.402 2.051 20 0 CEADMP COC[C@H]([NH2+]C[C@H](C)C[NH3+])c1cccc(Cl)c1F ZINC000423307894 377236949 /nfs/dbraw/zinc/23/69/49/377236949.db2.gz NWDZGWIAHFJJSS-SKDRFNHKSA-N 2 1 274.767 2.351 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(C(=O)OC)cc1 ZINC000423311298 377240812 /nfs/dbraw/zinc/24/08/12/377240812.db2.gz BSZFUUFCVJXSOW-HUUCEWRRSA-N 2 1 276.380 2.251 20 0 CEADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)CCC2 ZINC000423313928 377242352 /nfs/dbraw/zinc/24/23/52/377242352.db2.gz GKYRZJMXLPQCOH-QWRGUYRKSA-N 2 1 265.426 2.410 20 0 CEADMP CC(C)[C@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@@H](C)[NH3+] ZINC000423318119 377248111 /nfs/dbraw/zinc/24/81/11/377248111.db2.gz CCCFJOGOMHCZBR-OAGGEKHMSA-N 2 1 297.487 2.377 20 0 CEADMP COCCC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(F)cc1 ZINC000423319810 377249781 /nfs/dbraw/zinc/24/97/81/377249781.db2.gz FNVKRZVCPMGAJX-RISCZKNCSA-N 2 1 254.349 2.230 20 0 CEADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)C[NH3+])c2ccccc21 ZINC000423319888 377250864 /nfs/dbraw/zinc/25/08/64/377250864.db2.gz FXZBHIGWXAQYEM-BYCMXARLSA-N 2 1 276.380 2.105 20 0 CEADMP COc1cc(C)c([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1OC ZINC000423277216 377202143 /nfs/dbraw/zinc/20/21/43/377202143.db2.gz NXWRCJZBDMKLQU-BXUZGUMPSA-N 2 1 278.396 2.400 20 0 CEADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cnccn1 ZINC000563687601 377275961 /nfs/dbraw/zinc/27/59/61/377275961.db2.gz QEPKHHSCBFHPJC-UHFFFAOYSA-N 2 1 273.384 2.148 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)CC[NH2+]1 ZINC000564969673 377517876 /nfs/dbraw/zinc/51/78/76/377517876.db2.gz BEAPPKZZONVXRJ-FPCVCCKLSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@@H](c1nc(C[NH3+])no1)N(C)Cc1ccccc1 ZINC000564959069 377514198 /nfs/dbraw/zinc/51/41/98/377514198.db2.gz QYNPNVWAWJFDBO-LBPRGKRZSA-N 2 1 260.341 2.111 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000685658201 542175366 /nfs/dbraw/zinc/17/53/66/542175366.db2.gz LYLCODHPMGIQKD-AWEZNQCLSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](CNC(=O)C1([NH3+])CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000430760155 377550232 /nfs/dbraw/zinc/55/02/32/377550232.db2.gz ILEAFFQZAKYUCU-KBPBESRZSA-N 2 1 281.444 2.027 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000430967785 377579546 /nfs/dbraw/zinc/57/95/46/377579546.db2.gz UYQFCKHTKJWUPV-UWVGGRQHSA-N 2 1 264.373 2.067 20 0 CEADMP C[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[NH+]1CC(C)C1 ZINC000565181012 377591584 /nfs/dbraw/zinc/59/15/84/377591584.db2.gz LIPKGRDSZIBSSV-CYBMUJFWSA-N 2 1 275.396 2.027 20 0 CEADMP CCC[N@H+](CC(=O)NCCC(C)(C)C)C1CC[NH2+]CC1 ZINC000431070653 377594013 /nfs/dbraw/zinc/59/40/13/377594013.db2.gz LRYJPFQIHRUMBN-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP CCC[N@@H+](CC(=O)NCCC(C)(C)C)C1CC[NH2+]CC1 ZINC000431070653 377594016 /nfs/dbraw/zinc/59/40/16/377594016.db2.gz LRYJPFQIHRUMBN-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000088397757 249306177 /nfs/dbraw/zinc/30/61/77/249306177.db2.gz GYLMFNWYPGVOGJ-OWSLCNJRSA-N 2 1 288.435 2.182 20 0 CEADMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431086619 377597168 /nfs/dbraw/zinc/59/71/68/377597168.db2.gz NVTRGJKBEAVDNQ-IJLUTSLNSA-N 2 1 278.400 2.416 20 0 CEADMP Cn1c2cc(F)ccc2[nH+]c1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000431423326 377641894 /nfs/dbraw/zinc/64/18/94/377641894.db2.gz SBSPTQITGCVKDQ-STQMWFEESA-N 2 1 290.386 2.419 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)CC[N@@H+]1C ZINC000293651392 377678601 /nfs/dbraw/zinc/67/86/01/377678601.db2.gz LIDRWZCTLXQRLM-ILXRZTDVSA-N 2 1 291.414 2.477 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)CC[N@H+]1C ZINC000293651392 377678607 /nfs/dbraw/zinc/67/86/07/377678607.db2.gz LIDRWZCTLXQRLM-ILXRZTDVSA-N 2 1 291.414 2.477 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000566087770 377721414 /nfs/dbraw/zinc/72/14/14/377721414.db2.gz OMEBUDXQHZBETL-GFCCVEGCSA-N 2 1 293.411 2.304 20 0 CEADMP CC(C)=CCC[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000566121668 377728175 /nfs/dbraw/zinc/72/81/75/377728175.db2.gz MGHCTLJPUBSJLV-ZFWWWQNUSA-N 2 1 254.418 2.166 20 0 CEADMP CC(C)=CCC[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000566121668 377728178 /nfs/dbraw/zinc/72/81/78/377728178.db2.gz MGHCTLJPUBSJLV-ZFWWWQNUSA-N 2 1 254.418 2.166 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)CC[NH2+]1 ZINC000333225467 377756600 /nfs/dbraw/zinc/75/66/00/377756600.db2.gz XHMUNSKPEJMLDS-PEBLQZBPSA-N 2 1 265.401 2.010 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1(C)CC1 ZINC000432413844 377758694 /nfs/dbraw/zinc/75/86/94/377758694.db2.gz IITDWODNRODBRW-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1(C)CC1 ZINC000432413844 377758696 /nfs/dbraw/zinc/75/86/96/377758696.db2.gz IITDWODNRODBRW-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CC[C@H]2CCOC2)CC1 ZINC000437588555 377854092 /nfs/dbraw/zinc/85/40/92/377854092.db2.gz JEGYJCVHSQDTDM-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000441347032 377936816 /nfs/dbraw/zinc/93/68/16/377936816.db2.gz KKCTVMNQWOCYBG-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP C[C@@H]1CC([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)C1 ZINC000441357811 377937593 /nfs/dbraw/zinc/93/75/93/377937593.db2.gz UJSZHFMTUIHVRG-GJZGRUSLSA-N 2 1 281.488 2.427 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438540882 377906336 /nfs/dbraw/zinc/90/63/36/377906336.db2.gz MBBOFTBISNEVDG-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438540882 377906337 /nfs/dbraw/zinc/90/63/37/377906337.db2.gz MBBOFTBISNEVDG-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438540882 377906341 /nfs/dbraw/zinc/90/63/41/377906341.db2.gz MBBOFTBISNEVDG-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000294698930 378014747 /nfs/dbraw/zinc/01/47/47/378014747.db2.gz ATANOCICHFUKOJ-DZGCQCFKSA-N 2 1 287.407 2.030 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC000442678150 377980003 /nfs/dbraw/zinc/98/00/03/377980003.db2.gz KFLLBEMLMFGKJF-KRWDZBQOSA-N 2 1 291.439 2.323 20 0 CEADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442765286 377994311 /nfs/dbraw/zinc/99/43/11/377994311.db2.gz MABOVHIGLDCKRS-JHJVBQTASA-N 2 1 286.379 2.467 20 0 CEADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442765286 377994315 /nfs/dbraw/zinc/99/43/15/377994315.db2.gz MABOVHIGLDCKRS-JHJVBQTASA-N 2 1 286.379 2.467 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)s1 ZINC000442926256 378019521 /nfs/dbraw/zinc/01/95/21/378019521.db2.gz YASVMJMMZDVWSO-NSHDSACASA-N 2 1 253.415 2.266 20 0 CEADMP CC(C)n1ccnc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443056259 378030280 /nfs/dbraw/zinc/03/02/80/378030280.db2.gz CLXVCLUGXPQELR-ZDUSSCGKSA-N 2 1 250.390 2.025 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000447583881 378121041 /nfs/dbraw/zinc/12/10/41/378121041.db2.gz CVOUGMFSFUWKPI-RLAWYHOSSA-N 2 1 282.428 2.322 20 0 CEADMP CC[C@@H]([NH3+])CNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000295286597 378086841 /nfs/dbraw/zinc/08/68/41/378086841.db2.gz UAOAZASZZUAFKL-MRXNPFEDSA-N 2 1 291.439 2.384 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(=O)NC ZINC000449771438 378228974 /nfs/dbraw/zinc/22/89/74/378228974.db2.gz GXWMNSQYJVLFGC-IMJJTQAJSA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@H]([NH2+]C[C@](C)(O)C[NH2+]C)c1ccc(Cl)cc1 ZINC000574458467 299498254 /nfs/dbraw/zinc/49/82/54/299498254.db2.gz JZGRQVLRCHZUCF-UONOGXRCSA-N 2 1 270.804 2.351 20 0 CEADMP C[N@H+](C[C@H](O)c1ccccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000266089134 190229315 /nfs/dbraw/zinc/22/93/15/190229315.db2.gz ZBKNAJKGIXZBQS-CJNGLKHVSA-N 2 1 280.387 2.133 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000266089134 190229316 /nfs/dbraw/zinc/22/93/16/190229316.db2.gz ZBKNAJKGIXZBQS-CJNGLKHVSA-N 2 1 280.387 2.133 20 0 CEADMP C[NH+](C[C@H](O)c1ccccc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000266089134 190229317 /nfs/dbraw/zinc/22/93/17/190229317.db2.gz ZBKNAJKGIXZBQS-CJNGLKHVSA-N 2 1 280.387 2.133 20 0 CEADMP C[NH+](C[C@H](O)c1ccccc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000266089134 190229318 /nfs/dbraw/zinc/22/93/18/190229318.db2.gz ZBKNAJKGIXZBQS-CJNGLKHVSA-N 2 1 280.387 2.133 20 0 CEADMP CCC[C@H](O)C[N@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000450375017 378381570 /nfs/dbraw/zinc/38/15/70/378381570.db2.gz DKGDFFSPVVOESH-KBPBESRZSA-N 2 1 265.401 2.243 20 0 CEADMP CCc1cc(NC[C@@H]2CCCn3cc[nH+]c32)cc[nH+]1 ZINC000450392398 378391230 /nfs/dbraw/zinc/39/12/30/378391230.db2.gz PMXSRCSOXZFGQH-LBPRGKRZSA-N 2 1 256.353 2.252 20 0 CEADMP CCC[C@@H](O)C[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000450861973 378619738 /nfs/dbraw/zinc/61/97/38/378619738.db2.gz ZDGBRUDCKLRGKT-CQSZACIVSA-N 2 1 267.417 2.319 20 0 CEADMP CCC[C@@H](O)C[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000450861973 378619741 /nfs/dbraw/zinc/61/97/41/378619741.db2.gz ZDGBRUDCKLRGKT-CQSZACIVSA-N 2 1 267.417 2.319 20 0 CEADMP CC[N@H+]1CCN(C[C@H]2CCCC[NH+]2C(C)C)[C@@H](C)C1 ZINC000450979507 378669469 /nfs/dbraw/zinc/66/94/69/378669469.db2.gz JDAKHEPWEHUFTB-JKSUJKDBSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](C)C1 ZINC000450979507 378669472 /nfs/dbraw/zinc/66/94/72/378669472.db2.gz JDAKHEPWEHUFTB-JKSUJKDBSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)[C@@H](C)C1 ZINC000450979507 378669475 /nfs/dbraw/zinc/66/94/75/378669475.db2.gz JDAKHEPWEHUFTB-JKSUJKDBSA-N 2 1 267.461 2.275 20 0 CEADMP COCCCOc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000346693619 217992318 /nfs/dbraw/zinc/99/23/18/217992318.db2.gz OHNHOYNHPVDVPV-ZBFHGGJFSA-N 2 1 292.423 2.271 20 0 CEADMP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CCOCC1 ZINC000453103355 378803766 /nfs/dbraw/zinc/80/37/66/378803766.db2.gz CBWXXTAQEVHXCP-HZPDHXFCSA-N 2 1 298.471 2.281 20 0 CEADMP COc1ccsc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346823056 218024901 /nfs/dbraw/zinc/02/49/01/218024901.db2.gz KCWMDUAOVQYRKY-QJPTWQEYSA-N 2 1 266.410 2.316 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000346851420 218036771 /nfs/dbraw/zinc/03/67/71/218036771.db2.gz JTSFDFOBWGVEDV-FPMFFAJLSA-N 2 1 294.468 2.158 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2=CCOCC2)[C@@H](C)C1 ZINC000453293902 378858024 /nfs/dbraw/zinc/85/80/24/378858024.db2.gz QCEGDKDXMBFRQJ-DOTOQJQBSA-N 2 1 296.455 2.060 20 0 CEADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CCOC1 ZINC000453388653 378881329 /nfs/dbraw/zinc/88/13/29/378881329.db2.gz BVMAXPBKVKFKEJ-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC2CCC2)[C@@H](C)C1 ZINC000346971852 218074487 /nfs/dbraw/zinc/07/44/87/218074487.db2.gz BMNSAEAGVBLMNG-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC2CCC2)[C@@H](C)C1 ZINC000346971852 218074489 /nfs/dbraw/zinc/07/44/89/218074489.db2.gz BMNSAEAGVBLMNG-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC2CCC2)[C@@H](C)C1 ZINC000346971852 218074491 /nfs/dbraw/zinc/07/44/91/218074491.db2.gz BMNSAEAGVBLMNG-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP COc1ccccc1[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346976839 218075579 /nfs/dbraw/zinc/07/55/79/218075579.db2.gz KGJGAOXTCHVZMI-CABCVRRESA-N 2 1 274.408 2.484 20 0 CEADMP CC(C)([NH3+])C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000346983847 218079940 /nfs/dbraw/zinc/07/99/40/218079940.db2.gz NWUZZPJLBCFCPW-UHFFFAOYSA-N 2 1 290.333 2.276 20 0 CEADMP Cc1cnc(C[NH2+]CCCC[N@H+](C)C2CC2)s1 ZINC000453598698 378917909 /nfs/dbraw/zinc/91/79/09/378917909.db2.gz QAEKECPMTOBWIC-UHFFFAOYSA-N 2 1 253.415 2.416 20 0 CEADMP c1ccc(OC[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000347001826 218086700 /nfs/dbraw/zinc/08/67/00/218086700.db2.gz IGPNGOWKEWXNBO-JKSUJKDBSA-N 2 1 274.408 2.387 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccccc1N(C)C ZINC000347053543 218105680 /nfs/dbraw/zinc/10/56/80/218105680.db2.gz SMNLHRGZNHQXFO-HIFRSBDPSA-N 2 1 261.413 2.454 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccccc1N(C)C ZINC000347053543 218105683 /nfs/dbraw/zinc/10/56/83/218105683.db2.gz SMNLHRGZNHQXFO-HIFRSBDPSA-N 2 1 261.413 2.454 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1C ZINC000347020010 218094397 /nfs/dbraw/zinc/09/43/97/218094397.db2.gz MRGWTRSTVUAVGF-AWEZNQCLSA-N 2 1 264.417 2.081 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347106775 218123378 /nfs/dbraw/zinc/12/33/78/218123378.db2.gz MAJDZTQMBRQEJR-QWHCGFSZSA-N 2 1 278.444 2.104 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000347111849 218126614 /nfs/dbraw/zinc/12/66/14/218126614.db2.gz QAZUIEAVYVOCJY-ZDUSSCGKSA-N 2 1 290.436 2.365 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000347120893 218129149 /nfs/dbraw/zinc/12/91/49/218129149.db2.gz ZAEOCDSWIGTKPF-ZDUSSCGKSA-N 2 1 285.391 2.372 20 0 CEADMP C[C@@H](CO)[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCCC1 ZINC000347247505 218169471 /nfs/dbraw/zinc/16/94/71/218169471.db2.gz KSLROCLUKBGHGQ-KBPBESRZSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@@H](CO)[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000347247505 218169472 /nfs/dbraw/zinc/16/94/72/218169472.db2.gz KSLROCLUKBGHGQ-KBPBESRZSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@@H](CO)[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000347247505 218169473 /nfs/dbraw/zinc/16/94/73/218169473.db2.gz KSLROCLUKBGHGQ-KBPBESRZSA-N 2 1 254.418 2.096 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503525333 379070094 /nfs/dbraw/zinc/07/00/94/379070094.db2.gz CPAXQVIZYMFKIY-QJPTWQEYSA-N 2 1 262.344 2.221 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000300408958 379166257 /nfs/dbraw/zinc/16/62/57/379166257.db2.gz VETGBLSAQHBVHN-OCCSQVGLSA-N 2 1 265.426 2.210 20 0 CEADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000300408957 379166785 /nfs/dbraw/zinc/16/67/85/379166785.db2.gz VETGBLSAQHBVHN-JSGCOSHPSA-N 2 1 265.426 2.210 20 0 CEADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000515347758 379208223 /nfs/dbraw/zinc/20/82/23/379208223.db2.gz NBWFFUGPWKYYRI-MZMPZRCHSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000515347758 379208229 /nfs/dbraw/zinc/20/82/29/379208229.db2.gz NBWFFUGPWKYYRI-MZMPZRCHSA-N 2 1 288.435 2.355 20 0 CEADMP Cc1ccccc1[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000518144244 379379888 /nfs/dbraw/zinc/37/98/88/379379888.db2.gz CJQMCTPGVNYFRD-RDJZCZTQSA-N 2 1 274.408 2.368 20 0 CEADMP COC[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266618207 190271442 /nfs/dbraw/zinc/27/14/42/190271442.db2.gz KFKNABNNGBITKS-NVXWUHKLSA-N 2 1 276.424 2.475 20 0 CEADMP COC[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266618207 190271443 /nfs/dbraw/zinc/27/14/43/190271443.db2.gz KFKNABNNGBITKS-NVXWUHKLSA-N 2 1 276.424 2.475 20 0 CEADMP COC[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266618207 190271444 /nfs/dbraw/zinc/27/14/44/190271444.db2.gz KFKNABNNGBITKS-NVXWUHKLSA-N 2 1 276.424 2.475 20 0 CEADMP Cc1nccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)n1 ZINC000266766280 190279516 /nfs/dbraw/zinc/27/95/16/190279516.db2.gz WWFJTVUZDUAVMF-KGLIPLIRSA-N 2 1 260.385 2.237 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)ccn1 ZINC000347659428 218312133 /nfs/dbraw/zinc/31/21/33/218312133.db2.gz AJKCLSSNPSJNKG-TZMCWYRMSA-N 2 1 263.385 2.225 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)ccn1 ZINC000347659428 218312135 /nfs/dbraw/zinc/31/21/35/218312135.db2.gz AJKCLSSNPSJNKG-TZMCWYRMSA-N 2 1 263.385 2.225 20 0 CEADMP CCCCC[N@H+]1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000304869904 379599694 /nfs/dbraw/zinc/59/96/94/379599694.db2.gz GUCBDTVVHQNANC-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP CCCCCN1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO ZINC000304869904 379599705 /nfs/dbraw/zinc/59/97/05/379599705.db2.gz GUCBDTVVHQNANC-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP CCCCCN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000304869904 379599712 /nfs/dbraw/zinc/59/97/12/379599712.db2.gz GUCBDTVVHQNANC-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc(NC(C)=O)nc2)CC1 ZINC000279006227 194248327 /nfs/dbraw/zinc/24/83/27/194248327.db2.gz GKOCBMCDJUKBAJ-UHFFFAOYSA-N 2 1 290.411 2.004 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCC[C@H]2O)[C@@H](C)C1 ZINC000305197443 379681684 /nfs/dbraw/zinc/68/16/84/379681684.db2.gz ZOSWJQLBBSAGGR-JONQDZQNSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000305614030 379721326 /nfs/dbraw/zinc/72/13/26/379721326.db2.gz BHHXFQXIICJMKM-AWEZNQCLSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1C(C)(C)O ZINC000305614030 379721329 /nfs/dbraw/zinc/72/13/29/379721329.db2.gz BHHXFQXIICJMKM-AWEZNQCLSA-N 2 1 265.401 2.207 20 0 CEADMP C[C@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000267270004 190316694 /nfs/dbraw/zinc/31/66/94/190316694.db2.gz SECCUBYGKXENPR-JHJVBQTASA-N 2 1 290.411 2.347 20 0 CEADMP CC(C)c1ncc2c(n1)CC[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000527617304 379778180 /nfs/dbraw/zinc/77/81/80/379778180.db2.gz FFLCTWIVRSRHQH-KBPBESRZSA-N 2 1 288.439 2.346 20 0 CEADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ncccc1F ZINC000528822234 380109385 /nfs/dbraw/zinc/10/93/85/380109385.db2.gz AXVCLWKUNVBIRA-NSHDSACASA-N 2 1 262.332 2.238 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCO)cc1 ZINC000268717229 190425274 /nfs/dbraw/zinc/42/52/74/190425274.db2.gz NEEDJUNWQUGXTG-GFCCVEGCSA-N 2 1 259.353 2.214 20 0 CEADMP C[N@H+]1CCC[C@H]2CN(CCc3cscn3)CC[C@@H]21 ZINC000334577631 380627379 /nfs/dbraw/zinc/62/73/79/380627379.db2.gz SDMNAKCKJAZQCH-JSGCOSHPSA-N 2 1 265.426 2.102 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](CCc3cscn3)CC[C@@H]21 ZINC000334577631 380627383 /nfs/dbraw/zinc/62/73/83/380627383.db2.gz SDMNAKCKJAZQCH-JSGCOSHPSA-N 2 1 265.426 2.102 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3cscn3)CC[C@@H]21 ZINC000334577631 380627386 /nfs/dbraw/zinc/62/73/86/380627386.db2.gz SDMNAKCKJAZQCH-JSGCOSHPSA-N 2 1 265.426 2.102 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3cscn3)CC[C@@H]21 ZINC000334577631 380627392 /nfs/dbraw/zinc/62/73/92/380627392.db2.gz SDMNAKCKJAZQCH-JSGCOSHPSA-N 2 1 265.426 2.102 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3cscn3)CC[C@@H]21 ZINC000334577631 380627393 /nfs/dbraw/zinc/62/73/93/380627393.db2.gz SDMNAKCKJAZQCH-JSGCOSHPSA-N 2 1 265.426 2.102 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000552100187 380684862 /nfs/dbraw/zinc/68/48/62/380684862.db2.gz BGXCTKIRYGIHOX-HRCADAONSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000552100187 380684864 /nfs/dbraw/zinc/68/48/64/380684864.db2.gz BGXCTKIRYGIHOX-HRCADAONSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000552100187 380684868 /nfs/dbraw/zinc/68/48/68/380684868.db2.gz BGXCTKIRYGIHOX-HRCADAONSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)C(F)(F)F ZINC000580552895 322325650 /nfs/dbraw/zinc/32/56/50/322325650.db2.gz GMFUJAQNJAIWNQ-RYUDHWBXSA-N 2 1 282.350 2.154 20 0 CEADMP CC[N@H+]1CCN(C(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC000553000336 380720609 /nfs/dbraw/zinc/72/06/09/380720609.db2.gz BHSMSHVLEQMTSX-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC000553000336 380720612 /nfs/dbraw/zinc/72/06/12/380720612.db2.gz BHSMSHVLEQMTSX-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1cc(Br)ccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000334833845 207156493 /nfs/dbraw/zinc/15/64/93/207156493.db2.gz TYSFVFZJDARLEJ-ITGUQSILSA-N 2 1 281.197 2.065 20 0 CEADMP CC[N@@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C)n2)[C@H](C)C1 ZINC000189429550 542331363 /nfs/dbraw/zinc/33/13/63/542331363.db2.gz FHANCFNKWKCPKA-BXUZGUMPSA-N 2 1 262.401 2.260 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C)n2)[C@H](C)C1 ZINC000189429550 542331366 /nfs/dbraw/zinc/33/13/66/542331366.db2.gz FHANCFNKWKCPKA-BXUZGUMPSA-N 2 1 262.401 2.260 20 0 CEADMP FCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000281014172 195069823 /nfs/dbraw/zinc/06/98/23/195069823.db2.gz LQPOECGBAODTKY-HRCADAONSA-N 2 1 262.372 2.456 20 0 CEADMP Fc1ccc(/C=C/C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000335319680 208184460 /nfs/dbraw/zinc/18/44/60/208184460.db2.gz HJWYJUPDAPJXJJ-JJIOWCPJSA-N 2 1 260.356 2.380 20 0 CEADMP Fc1ccc(/C=C/C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000335319680 208184463 /nfs/dbraw/zinc/18/44/63/208184463.db2.gz HJWYJUPDAPJXJJ-JJIOWCPJSA-N 2 1 260.356 2.380 20 0 CEADMP Cc1cnccc1CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000335367912 208291332 /nfs/dbraw/zinc/29/13/32/208291332.db2.gz ZUDAVHJIHGVGEN-KRWDZBQOSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1cnccc1CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335367912 208291338 /nfs/dbraw/zinc/29/13/38/208291338.db2.gz ZUDAVHJIHGVGEN-KRWDZBQOSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1cnccc1CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335367912 208291345 /nfs/dbraw/zinc/29/13/45/208291345.db2.gz ZUDAVHJIHGVGEN-KRWDZBQOSA-N 2 1 273.424 2.350 20 0 CEADMP CC[N@H+](Cc1cc[nH]n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289413449 197333937 /nfs/dbraw/zinc/33/39/37/197333937.db2.gz IEWZHYFZFMAHPY-UHFFFAOYSA-N 2 1 272.396 2.493 20 0 CEADMP CC[N@@H+](Cc1cc[nH]n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289413449 197333938 /nfs/dbraw/zinc/33/39/38/197333938.db2.gz IEWZHYFZFMAHPY-UHFFFAOYSA-N 2 1 272.396 2.493 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(N)=O)c2)C[C@@H]1C ZINC000353753667 220304813 /nfs/dbraw/zinc/30/48/13/220304813.db2.gz XJVYVSIUXPDTAA-BBRMVZONSA-N 2 1 289.423 2.090 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(N)=O)c2)C[C@@H]1C ZINC000353753667 220304814 /nfs/dbraw/zinc/30/48/14/220304814.db2.gz XJVYVSIUXPDTAA-BBRMVZONSA-N 2 1 289.423 2.090 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(N)=O)c2)C[C@@H]1C ZINC000353753667 220304816 /nfs/dbraw/zinc/30/48/16/220304816.db2.gz XJVYVSIUXPDTAA-BBRMVZONSA-N 2 1 289.423 2.090 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(N)=O)c2)C[C@@H]1C ZINC000353753667 220304818 /nfs/dbraw/zinc/30/48/18/220304818.db2.gz XJVYVSIUXPDTAA-BBRMVZONSA-N 2 1 289.423 2.090 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000353862297 220372469 /nfs/dbraw/zinc/37/24/69/220372469.db2.gz CAFMDLWHHBTFRQ-NFAWXSAZSA-N 2 1 272.396 2.153 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000353862297 220372471 /nfs/dbraw/zinc/37/24/71/220372471.db2.gz CAFMDLWHHBTFRQ-NFAWXSAZSA-N 2 1 272.396 2.153 20 0 CEADMP O[C@@H](C[NH2+][C@H](c1ccc(F)cc1)C1CC1)C[NH+]1CCCC1 ZINC000359378075 285305938 /nfs/dbraw/zinc/30/59/38/285305938.db2.gz ZXJJKCBPVACGOW-IRXDYDNUSA-N 2 1 292.398 2.323 20 0 CEADMP COCCC1([NH2+]Cc2ncc(C[NH+](C)C)s2)CCC1 ZINC000352707207 533220501 /nfs/dbraw/zinc/22/05/01/533220501.db2.gz QVNRVIQZEOBXOB-UHFFFAOYSA-N 2 1 283.441 2.254 20 0 CEADMP CC[C@H](O)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000281647591 195321407 /nfs/dbraw/zinc/32/14/07/195321407.db2.gz NECXFKOVYIAWLZ-XIRDDKMYSA-N 2 1 276.424 2.258 20 0 CEADMP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359942356 285372452 /nfs/dbraw/zinc/37/24/52/285372452.db2.gz MZZXXBKECQHDHA-SOUVJXGZSA-N 2 1 254.418 2.264 20 0 CEADMP COC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000359942356 285372453 /nfs/dbraw/zinc/37/24/53/285372453.db2.gz MZZXXBKECQHDHA-SOUVJXGZSA-N 2 1 254.418 2.264 20 0 CEADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000411892181 533317449 /nfs/dbraw/zinc/31/74/49/533317449.db2.gz JRHDXKWIUXDWPB-UAGQMJEPSA-N 2 1 274.408 2.373 20 0 CEADMP CO[C@](C)([C@@H](C)[NH2+]CCCn1cc[nH+]c1C)C1CC1 ZINC000411968723 533347059 /nfs/dbraw/zinc/34/70/59/533347059.db2.gz KGMLAVKFKGIKAG-IUODEOHRSA-N 2 1 265.401 2.375 20 0 CEADMP C(COCC1CCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000313254126 533366342 /nfs/dbraw/zinc/36/63/42/533366342.db2.gz OHEZAXCNXVVKRL-HZPDHXFCSA-N 2 1 266.429 2.410 20 0 CEADMP Cn1c2ccccc2nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342082341 130244117 /nfs/dbraw/zinc/24/41/17/130244117.db2.gz IEFSFYWZALNPKT-IHRRRGAJSA-N 2 1 284.407 2.133 20 0 CEADMP Cn1c2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342082341 130244120 /nfs/dbraw/zinc/24/41/20/130244120.db2.gz IEFSFYWZALNPKT-IHRRRGAJSA-N 2 1 284.407 2.133 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247172258 131101412 /nfs/dbraw/zinc/10/14/12/131101412.db2.gz YQJIOYALLCNYDH-UMVBOHGHSA-N 2 1 262.397 2.396 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247172258 131101413 /nfs/dbraw/zinc/10/14/13/131101413.db2.gz YQJIOYALLCNYDH-UMVBOHGHSA-N 2 1 262.397 2.396 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccnc2ccccc12 ZINC000216073511 394450415 /nfs/dbraw/zinc/45/04/15/394450415.db2.gz LMKRYYWZSVNBLU-OLZOCXBDSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300143457 394453092 /nfs/dbraw/zinc/45/30/92/394453092.db2.gz WNBHBGNDFGQGMC-BARDWOONSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300143457 394453095 /nfs/dbraw/zinc/45/30/95/394453095.db2.gz WNBHBGNDFGQGMC-BARDWOONSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@H](F)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420974925 394460994 /nfs/dbraw/zinc/46/09/94/394460994.db2.gz FJPWBDBDAYKOLJ-HNNXBMFYSA-N 2 1 285.451 2.227 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](CCO)CC1 ZINC000421018030 394466978 /nfs/dbraw/zinc/46/69/78/394466978.db2.gz NSOYSFQGGACVDW-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421018030 394466981 /nfs/dbraw/zinc/46/69/81/394466981.db2.gz NSOYSFQGGACVDW-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](CCO)CC1 ZINC000421018030 394466982 /nfs/dbraw/zinc/46/69/82/394466982.db2.gz NSOYSFQGGACVDW-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP CCN1CCC([NH2+][C@@H]2COCc3ccccc32)CC1 ZINC000225994063 394470385 /nfs/dbraw/zinc/47/03/85/394470385.db2.gz WKJQIMHTUIKWGN-MRXNPFEDSA-N 2 1 260.381 2.332 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000036300341 394494349 /nfs/dbraw/zinc/49/43/49/394494349.db2.gz UWFSZIVVIMRDFN-UHFFFAOYSA-N 2 1 295.814 2.352 20 0 CEADMP C(CN1CCCCC1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250867138 394565475 /nfs/dbraw/zinc/56/54/75/394565475.db2.gz RQWOZTDPVLPIJD-GVDBMIGSSA-N 2 1 279.472 2.373 20 0 CEADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000252560790 394572059 /nfs/dbraw/zinc/57/20/59/394572059.db2.gz VZRQQZXVRKWSRZ-LEOABGAYSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000252560790 394572062 /nfs/dbraw/zinc/57/20/62/394572062.db2.gz VZRQQZXVRKWSRZ-LEOABGAYSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000252512991 394572096 /nfs/dbraw/zinc/57/20/96/394572096.db2.gz GUXFTOSMOVGJJH-CBBWQLFWSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000252512991 394572099 /nfs/dbraw/zinc/57/20/99/394572099.db2.gz GUXFTOSMOVGJJH-CBBWQLFWSA-N 2 1 252.402 2.018 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000308372833 394527228 /nfs/dbraw/zinc/52/72/28/394527228.db2.gz RHECRUBMBVKQSN-UONOGXRCSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H](O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309998805 394534077 /nfs/dbraw/zinc/53/40/77/394534077.db2.gz CWLGQNJPTBMXOX-SZMVWBNQSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H](O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309998805 394534080 /nfs/dbraw/zinc/53/40/80/394534080.db2.gz CWLGQNJPTBMXOX-SZMVWBNQSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H](O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309998805 394534084 /nfs/dbraw/zinc/53/40/84/394534084.db2.gz CWLGQNJPTBMXOX-SZMVWBNQSA-N 2 1 288.435 2.211 20 0 CEADMP COCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309981200 394534579 /nfs/dbraw/zinc/53/45/79/394534579.db2.gz VAOKXDPERDZVLX-SJORKVTESA-N 2 1 274.408 2.087 20 0 CEADMP COCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309981200 394534580 /nfs/dbraw/zinc/53/45/80/394534580.db2.gz VAOKXDPERDZVLX-SJORKVTESA-N 2 1 274.408 2.087 20 0 CEADMP COCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309981200 394534581 /nfs/dbraw/zinc/53/45/81/394534581.db2.gz VAOKXDPERDZVLX-SJORKVTESA-N 2 1 274.408 2.087 20 0 CEADMP C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)[C@H]1CCCCO1 ZINC000257747693 394597637 /nfs/dbraw/zinc/59/76/37/394597637.db2.gz ZXOIBBOSZSXSEO-CABCVRRESA-N 2 1 252.402 2.021 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC000356737379 394597859 /nfs/dbraw/zinc/59/78/59/394597859.db2.gz GOGNSZVVJYHGHL-GDBMZVCRSA-N 2 1 291.439 2.134 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000356737379 394597861 /nfs/dbraw/zinc/59/78/61/394597861.db2.gz GOGNSZVVJYHGHL-GDBMZVCRSA-N 2 1 291.439 2.134 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000356737379 394597864 /nfs/dbraw/zinc/59/78/64/394597864.db2.gz GOGNSZVVJYHGHL-GDBMZVCRSA-N 2 1 291.439 2.134 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000258990917 394599766 /nfs/dbraw/zinc/59/97/66/394599766.db2.gz LSAGSUUZZGFXML-NSHDSACASA-N 2 1 268.788 2.438 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421819692 394604749 /nfs/dbraw/zinc/60/47/49/394604749.db2.gz IMPVLKMIYWJREM-GOEBONIOSA-N 2 1 273.424 2.260 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000262153154 394613878 /nfs/dbraw/zinc/61/38/78/394613878.db2.gz RYNZYYNPOQSTRV-HOCLYGCPSA-N 2 1 283.460 2.275 20 0 CEADMP Fc1ccc(F)c2c1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000262261108 394615622 /nfs/dbraw/zinc/61/56/22/394615622.db2.gz RCSQWLNELUFDRG-UHFFFAOYSA-N 2 1 266.335 2.323 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCOC2)C1 ZINC000356877121 394639565 /nfs/dbraw/zinc/63/95/65/394639565.db2.gz RYJXHNDHCDQKRB-KFWWJZLASA-N 2 1 254.418 2.123 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCOC2)C1 ZINC000356877122 394639823 /nfs/dbraw/zinc/63/98/23/394639823.db2.gz RYJXHNDHCDQKRB-RBSFLKMASA-N 2 1 254.418 2.123 20 0 CEADMP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC000333258660 394643369 /nfs/dbraw/zinc/64/33/69/394643369.db2.gz IMZOHSKSJXVQSJ-FVRSWCFKSA-N 2 1 299.418 2.161 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422713338 394733890 /nfs/dbraw/zinc/73/38/90/394733890.db2.gz JKTPVZWEGQUDIS-HZPDHXFCSA-N 3 1 267.461 2.230 20 0 CEADMP C[C@@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422712799 394734170 /nfs/dbraw/zinc/73/41/70/394734170.db2.gz OLBMKTPUYOWRKC-KBUPBQIOSA-N 2 1 254.418 2.312 20 0 CEADMP CN(CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)CC(F)(F)F ZINC000422718896 394738344 /nfs/dbraw/zinc/73/83/44/394738344.db2.gz XZKZMKJWUNOJFI-STQMWFEESA-N 2 1 287.329 2.215 20 0 CEADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000414701925 394749058 /nfs/dbraw/zinc/74/90/58/394749058.db2.gz HDVOJIUUEJGFKU-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000414701925 394749060 /nfs/dbraw/zinc/74/90/60/394749060.db2.gz HDVOJIUUEJGFKU-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP CCCC[N@H+](C)CCN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422719445 394739258 /nfs/dbraw/zinc/73/92/58/394739258.db2.gz YCNUDDZNRJNHOB-ZDUSSCGKSA-N 2 1 278.444 2.231 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422719445 394739262 /nfs/dbraw/zinc/73/92/62/394739262.db2.gz YCNUDDZNRJNHOB-ZDUSSCGKSA-N 2 1 278.444 2.231 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422738826 394749348 /nfs/dbraw/zinc/74/93/48/394749348.db2.gz KCMILRKGLBHBQD-OWCLPIDISA-N 2 1 267.461 2.371 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000356984909 394672564 /nfs/dbraw/zinc/67/25/64/394672564.db2.gz IKUAYSGCSORLSQ-ARFHVFGLSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000356984909 394672566 /nfs/dbraw/zinc/67/25/66/394672566.db2.gz IKUAYSGCSORLSQ-ARFHVFGLSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000356984909 394672567 /nfs/dbraw/zinc/67/25/67/394672567.db2.gz IKUAYSGCSORLSQ-ARFHVFGLSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)CCO1 ZINC000356988050 394673274 /nfs/dbraw/zinc/67/32/74/394673274.db2.gz WFDXTKOSJAUABU-KLHDSHLOSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)CCO1 ZINC000356988050 394673277 /nfs/dbraw/zinc/67/32/77/394673277.db2.gz WFDXTKOSJAUABU-KLHDSHLOSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)CCO1 ZINC000356988050 394673282 /nfs/dbraw/zinc/67/32/82/394673282.db2.gz WFDXTKOSJAUABU-KLHDSHLOSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)CCO1 ZINC000356988050 394673286 /nfs/dbraw/zinc/67/32/86/394673286.db2.gz WFDXTKOSJAUABU-KLHDSHLOSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@H](C(=O)NCC1(C)CC[NH+](C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000356992180 394674077 /nfs/dbraw/zinc/67/40/77/394674077.db2.gz UNPJZDHRALNHHB-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2Cc3ccccc3C2)CC[N@H+]1C ZINC000334319780 394674347 /nfs/dbraw/zinc/67/43/47/394674347.db2.gz UWORCHVNGAKVHC-GUYCJALGSA-N 2 1 258.409 2.474 20 0 CEADMP CCCCOCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422731865 394745434 /nfs/dbraw/zinc/74/54/34/394745434.db2.gz OEMFRRVDUPDFNQ-GFCCVEGCSA-N 2 1 251.374 2.352 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000414096213 394701302 /nfs/dbraw/zinc/70/13/02/394701302.db2.gz HOVKMVFFLHLCNP-KCQAQPDRSA-N 2 1 277.412 2.094 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000414096213 394701307 /nfs/dbraw/zinc/70/13/07/394701307.db2.gz HOVKMVFFLHLCNP-KCQAQPDRSA-N 2 1 277.412 2.094 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)CCO1 ZINC000422559625 394709875 /nfs/dbraw/zinc/70/98/75/394709875.db2.gz DMNGXANMQQSCIF-ARKGTOAJSA-N 2 1 268.445 2.497 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc(N(C)C)s2)C[C@@H]1C[NH3+] ZINC000422561331 394710691 /nfs/dbraw/zinc/71/06/91/394710691.db2.gz KQRNIZMNEZTPEG-WOPDTQHZSA-N 2 1 282.457 2.014 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422735542 394747085 /nfs/dbraw/zinc/74/70/85/394747085.db2.gz FEACFVCHAFEKNV-CABCVRRESA-N 3 1 255.450 2.214 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422564639 394712850 /nfs/dbraw/zinc/71/28/50/394712850.db2.gz WKJSGQAKRQLVIZ-MJBXVCDLSA-N 2 1 292.471 2.350 20 0 CEADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000358344540 394719109 /nfs/dbraw/zinc/71/91/09/394719109.db2.gz KGEWIVOEWUFWSU-ZNMIVQPWSA-N 2 1 256.434 2.367 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1C[C@@H]1C ZINC000414156914 394719131 /nfs/dbraw/zinc/71/91/31/394719131.db2.gz VPKWBPPMCUTWBN-GBJTYRQASA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1C[C@@H]1C ZINC000414156914 394719134 /nfs/dbraw/zinc/71/91/34/394719134.db2.gz VPKWBPPMCUTWBN-GBJTYRQASA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000422735424 394747680 /nfs/dbraw/zinc/74/76/80/394747680.db2.gz URTPYVLUGOQWSK-GJZGRUSLSA-N 2 1 275.440 2.366 20 0 CEADMP Cc1cccc(OCC[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000422625837 394721075 /nfs/dbraw/zinc/72/10/75/394721075.db2.gz CQTFPWAXTVGEOI-UHFFFAOYSA-N 2 1 260.381 2.202 20 0 CEADMP C[C@@H]([NH2+]Cc1cc(F)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000414822560 394752523 /nfs/dbraw/zinc/75/25/23/394752523.db2.gz AMIKSNVPPXSKPP-MNOVXSKESA-N 2 1 254.324 2.443 20 0 CEADMP Cc1cccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1C ZINC000335254543 394753996 /nfs/dbraw/zinc/75/39/96/394753996.db2.gz YFCAALKLIXGWDQ-KRWDZBQOSA-N 2 1 288.435 2.491 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000422746612 394755432 /nfs/dbraw/zinc/75/54/32/394755432.db2.gz NYGFBKOMGLTBIB-CXAGYDPISA-N 2 1 293.430 2.365 20 0 CEADMP COc1ccccc1[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000422748157 394756346 /nfs/dbraw/zinc/75/63/46/394756346.db2.gz SGVGMJNYKVIFHT-IMJJTQAJSA-N 2 1 291.439 2.028 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)COCc1ccccc1 ZINC000422753135 394759543 /nfs/dbraw/zinc/75/95/43/394759543.db2.gz DRBYRZCYSMZOBA-HLLBOEOZSA-N 2 1 276.424 2.427 20 0 CEADMP C[C@H]([NH2+]CCn1cnc2ccccc21)c1c[nH+]ccc1N ZINC000422751978 394759893 /nfs/dbraw/zinc/75/98/93/394759893.db2.gz CCBDRJHHDWJONH-LBPRGKRZSA-N 2 1 281.363 2.195 20 0 CEADMP CC[NH2+]CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414836875 394762141 /nfs/dbraw/zinc/76/21/41/394762141.db2.gz WRNIEANXVJAUPO-WBVHZDCISA-N 2 1 275.440 2.239 20 0 CEADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1(C)C ZINC000422757496 394762713 /nfs/dbraw/zinc/76/27/13/394762713.db2.gz DCZSUUOPHZPTCX-LJISPDSOSA-N 2 1 268.445 2.414 20 0 CEADMP C[C@H](NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422758116 394762921 /nfs/dbraw/zinc/76/29/21/394762921.db2.gz KHXFZBKZJPPMMB-FZKCQIBNSA-N 2 1 281.488 2.473 20 0 CEADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414842601 394765901 /nfs/dbraw/zinc/76/59/01/394765901.db2.gz IVCBVRREXCTNMT-DZGCQCFKSA-N 2 1 289.423 2.308 20 0 CEADMP C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422761584 394765891 /nfs/dbraw/zinc/76/58/91/394765891.db2.gz MYLXDRYAHQTFFP-FRFSOERESA-N 2 1 294.414 2.097 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422762576 394767016 /nfs/dbraw/zinc/76/70/16/394767016.db2.gz IJENSSWBVMQIPI-BZUAXINKSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422762576 394767021 /nfs/dbraw/zinc/76/70/21/394767021.db2.gz IJENSSWBVMQIPI-BZUAXINKSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422762576 394767023 /nfs/dbraw/zinc/76/70/23/394767023.db2.gz IJENSSWBVMQIPI-BZUAXINKSA-N 3 1 267.461 2.229 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414848829 394769640 /nfs/dbraw/zinc/76/96/40/394769640.db2.gz WOJRMGLOULJRKJ-UHFFFAOYSA-N 2 1 272.396 2.394 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(OC)c(OC)cc1SC ZINC000414850585 394770207 /nfs/dbraw/zinc/77/02/07/394770207.db2.gz ZFNWGTJPPRTTDJ-LLVKDONJSA-N 2 1 298.452 2.371 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422767873 394770355 /nfs/dbraw/zinc/77/03/55/394770355.db2.gz SMQQKJOIVVYOLQ-QVOMUQBLSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422767873 394770358 /nfs/dbraw/zinc/77/03/58/394770358.db2.gz SMQQKJOIVVYOLQ-QVOMUQBLSA-N 3 1 267.461 2.214 20 0 CEADMP Fc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422769172 394770884 /nfs/dbraw/zinc/77/08/84/394770884.db2.gz USYUETMIBAFPJU-NUEKZKHPSA-N 2 1 278.371 2.072 20 0 CEADMP C[C@H](NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422771255 394773318 /nfs/dbraw/zinc/77/33/18/394773318.db2.gz XHEFWJPNZMQPQJ-KKUMJFAQSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000422771771 394773543 /nfs/dbraw/zinc/77/35/43/394773543.db2.gz YOZSRXLJYBETCK-CBBWQLFWSA-N 2 1 268.445 2.415 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000414856333 394773547 /nfs/dbraw/zinc/77/35/47/394773547.db2.gz YONSLDZSMOIUOA-LBPRGKRZSA-N 2 1 293.436 2.063 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)c2ccsc2S1 ZINC000335553491 394774395 /nfs/dbraw/zinc/77/43/95/394774395.db2.gz YDPYTMLFNOHZGK-GZMMTYOYSA-N 2 1 254.424 2.483 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000422777096 394776583 /nfs/dbraw/zinc/77/65/83/394776583.db2.gz FEJBEWXVKBNTGI-WTTBNOFXSA-N 2 1 275.440 2.017 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000422776945 394776728 /nfs/dbraw/zinc/77/67/28/394776728.db2.gz BHQRXAGQPVSJLD-HZSPNIEDSA-N 2 1 268.788 2.497 20 0 CEADMP CC(C)CCOCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422777825 394777656 /nfs/dbraw/zinc/77/76/56/394777656.db2.gz GGERSJZUJBBRSS-GFCCVEGCSA-N 2 1 251.374 2.207 20 0 CEADMP Cc1ccc(O[C@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422780404 394779686 /nfs/dbraw/zinc/77/96/86/394779686.db2.gz DFCPOZKGJWAWEK-YCPHGPKFSA-N 2 1 262.397 2.492 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000359974877 394782402 /nfs/dbraw/zinc/78/24/02/394782402.db2.gz PTIDFVUFFGNCHR-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000359974877 394782404 /nfs/dbraw/zinc/78/24/04/394782404.db2.gz PTIDFVUFFGNCHR-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP Fc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414874557 394782846 /nfs/dbraw/zinc/78/28/46/394782846.db2.gz ICTLVEGVLZUEAB-UHFFFAOYSA-N 2 1 273.355 2.490 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCN(C)c3ccccc3C2)CC[NH2+]1 ZINC000335628937 394783589 /nfs/dbraw/zinc/78/35/89/394783589.db2.gz RYJYAAROWOQUKK-GJZGRUSLSA-N 2 1 273.424 2.327 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C12CCC2 ZINC000422786528 394784751 /nfs/dbraw/zinc/78/47/51/394784751.db2.gz SKFVWFMPMLHRRP-GBJTYRQASA-N 2 1 266.429 2.454 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422787188 394784880 /nfs/dbraw/zinc/78/48/80/394784880.db2.gz RHVUHBSTNANXSX-GHMZBOCLSA-N 2 1 289.210 2.270 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C12CCC2 ZINC000422786530 394784887 /nfs/dbraw/zinc/78/48/87/394784887.db2.gz SKFVWFMPMLHRRP-LJISPDSOSA-N 2 1 266.429 2.454 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000360053290 394785445 /nfs/dbraw/zinc/78/54/45/394785445.db2.gz CZKUCKBBTYCPJF-KNCCTNLNSA-N 2 1 287.451 2.491 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000360053290 394785449 /nfs/dbraw/zinc/78/54/49/394785449.db2.gz CZKUCKBBTYCPJF-KNCCTNLNSA-N 2 1 287.451 2.491 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000360053290 394785453 /nfs/dbraw/zinc/78/54/53/394785453.db2.gz CZKUCKBBTYCPJF-KNCCTNLNSA-N 2 1 287.451 2.491 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000360053290 394785455 /nfs/dbraw/zinc/78/54/55/394785455.db2.gz CZKUCKBBTYCPJF-KNCCTNLNSA-N 2 1 287.451 2.491 20 0 CEADMP Cc1nc2ccc(C[NH2+]C[C@@H]([NH3+])C3CC3)cc2s1 ZINC000414885180 394788416 /nfs/dbraw/zinc/78/84/16/394788416.db2.gz GEJYCIITNXRWEN-GFCCVEGCSA-N 2 1 261.394 2.432 20 0 CEADMP COc1ccc(C)cc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422790861 394789185 /nfs/dbraw/zinc/78/91/85/394789185.db2.gz UKJZEODRKVSIGU-UKRRQHHQSA-N 2 1 262.397 2.276 20 0 CEADMP [NH3+]C1(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000414886432 394789647 /nfs/dbraw/zinc/78/96/47/394789647.db2.gz YDSYRVYPRPFNKP-KZNAEPCWSA-N 2 1 299.462 2.368 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1CC[NH+](C)CC1 ZINC000360135575 394791038 /nfs/dbraw/zinc/79/10/38/394791038.db2.gz JXUHHRIOMRHXAJ-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)C1C[NH2+]C1 ZINC000422796144 394792547 /nfs/dbraw/zinc/79/25/47/394792547.db2.gz IVIZKKZWUWARAF-SECBINFHSA-N 2 1 274.286 2.283 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121122233 394792647 /nfs/dbraw/zinc/79/26/47/394792647.db2.gz UMEJNDDNGZWIEH-BARDWOONSA-N 2 1 266.429 2.264 20 0 CEADMP COc1ccc(OC)c(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000414896493 394793507 /nfs/dbraw/zinc/79/35/07/394793507.db2.gz CDLZCSPIQXTVJV-INIZCTEOSA-N 2 1 278.396 2.183 20 0 CEADMP C[C@@]1(C[NH2+]Cc2cc3ccccc3[nH]c2=O)CCC[NH2+]C1 ZINC000414896199 394793819 /nfs/dbraw/zinc/79/38/19/394793819.db2.gz BBTLXPZGRHRSQC-QGZVFWFLSA-N 2 1 285.391 2.420 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422798579 394794939 /nfs/dbraw/zinc/79/49/39/394794939.db2.gz RVXRNWGNFRIPJT-UAGQMJEPSA-N 2 1 279.472 2.371 20 0 CEADMP CC1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC000414903364 394796376 /nfs/dbraw/zinc/79/63/76/394796376.db2.gz LTNJNIGWKNJYOC-SJORKVTESA-N 3 1 287.451 2.459 20 0 CEADMP CC(C)Cn1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cn1 ZINC000414914194 394802116 /nfs/dbraw/zinc/80/21/16/394802116.db2.gz XLYPQHAAZBDHTI-OAHLLOKOSA-N 2 1 264.417 2.018 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1(C)CC1 ZINC000361344035 394825092 /nfs/dbraw/zinc/82/50/92/394825092.db2.gz BCDFQYAAFFZROS-UONOGXRCSA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]1 ZINC000422810345 394802899 /nfs/dbraw/zinc/80/28/99/394802899.db2.gz RPQAIRVENIFAOY-KKUMJFAQSA-N 2 1 260.381 2.110 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414940312 394813509 /nfs/dbraw/zinc/81/35/09/394813509.db2.gz XOBKZKWMAJNZIP-XJKSGUPXSA-N 2 1 274.408 2.142 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000422825436 394813639 /nfs/dbraw/zinc/81/36/39/394813639.db2.gz AIMOCZJPBNHPTC-RHSMWYFYSA-N 2 1 298.434 2.196 20 0 CEADMP COC[C@]1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CCC[NH2+]1 ZINC000414942894 394814540 /nfs/dbraw/zinc/81/45/40/394814540.db2.gz CHTVLYHKJMWIME-JKSUJKDBSA-N 2 1 294.826 2.165 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CC[NH2+]1 ZINC000414944652 394815475 /nfs/dbraw/zinc/81/54/75/394815475.db2.gz HGMGTSVDZHEJTE-UKRRQHHQSA-N 2 1 270.380 2.102 20 0 CEADMP COC[C@@]1(C[NH2+][C@H](C)Cc2ccccc2F)CCC[NH2+]1 ZINC000414951447 394820838 /nfs/dbraw/zinc/82/08/38/394820838.db2.gz GXOYWSBWJLBXFQ-CJNGLKHVSA-N 2 1 280.387 2.115 20 0 CEADMP C[C@H]1CCC[N@@H+]1C1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000361255489 394820933 /nfs/dbraw/zinc/82/09/33/394820933.db2.gz QCSWKAXRKPUMCO-LBPRGKRZSA-N 2 1 285.395 2.411 20 0 CEADMP C[C@H]1CCC[N@H+]1C1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000361255489 394820936 /nfs/dbraw/zinc/82/09/36/394820936.db2.gz QCSWKAXRKPUMCO-LBPRGKRZSA-N 2 1 285.395 2.411 20 0 CEADMP c1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc(-c2ccncc2)c1 ZINC000415046265 394863020 /nfs/dbraw/zinc/86/30/20/394863020.db2.gz UWRITJPBGVNOLF-SFHVURJKSA-N 2 1 297.402 2.217 20 0 CEADMP Cc1ccc(-c2ccc(C[N@H+](C)C[C@@H](O)C[NH3+])s2)cc1 ZINC000415048598 394863940 /nfs/dbraw/zinc/86/39/40/394863940.db2.gz CNHWJNVBNYZWML-AWEZNQCLSA-N 2 1 290.432 2.475 20 0 CEADMP Cc1ccc(-c2ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])s2)cc1 ZINC000415048598 394863943 /nfs/dbraw/zinc/86/39/43/394863943.db2.gz CNHWJNVBNYZWML-AWEZNQCLSA-N 2 1 290.432 2.475 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000415050368 394864470 /nfs/dbraw/zinc/86/44/70/394864470.db2.gz CAXABZPTCJGXNC-CXAGYDPISA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOCC(F)(F)F ZINC000422927172 394864508 /nfs/dbraw/zinc/86/45/08/394864508.db2.gz FXGSCQIESSEQBR-DGCLKSJQSA-N 2 1 290.329 2.113 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2C=CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000336558929 394864782 /nfs/dbraw/zinc/86/47/82/394864782.db2.gz AUFBXUQTUNDETG-CVEARBPZSA-N 2 1 277.456 2.195 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)CC1CCOCC1 ZINC000415052085 394865870 /nfs/dbraw/zinc/86/58/70/394865870.db2.gz HFHSEZXMPUPSDJ-OCCSQVGLSA-N 2 1 256.434 2.402 20 0 CEADMP Cc1ccc(CCC[NH2+][C@@H](C[NH3+])C2CCCC2)cn1 ZINC000415064129 394871242 /nfs/dbraw/zinc/87/12/42/394871242.db2.gz JWUXECSXUBNZFE-INIZCTEOSA-N 2 1 261.413 2.430 20 0 CEADMP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])c1ccco1 ZINC000422972189 394871551 /nfs/dbraw/zinc/87/15/51/394871551.db2.gz KTWDZBZIKVEWAO-QLFBSQMISA-N 2 1 279.428 2.380 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@@H](C[NH3+])C3CCCC3)n21 ZINC000415065208 394872425 /nfs/dbraw/zinc/87/24/25/394872425.db2.gz MIZHLHLOVIVTGI-HNNXBMFYSA-N 2 1 272.396 2.250 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)C(C)C ZINC000422989638 394874986 /nfs/dbraw/zinc/87/49/86/394874986.db2.gz AYORRKFFAUWNCI-HZPDHXFCSA-N 3 1 269.477 2.473 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422991237 394876289 /nfs/dbraw/zinc/87/62/89/394876289.db2.gz AMHQCDFUNMWTGV-SOUVJXGZSA-N 3 1 255.450 2.212 20 0 CEADMP Cc1ccc2nc(C[NH2+]C[C@H]3CC[NH2+][C@H](C)C3)[nH]c2c1 ZINC000415074738 394876733 /nfs/dbraw/zinc/87/67/33/394876733.db2.gz AEGKUCAYEUOAFP-OLZOCXBDSA-N 2 1 272.396 2.349 20 0 CEADMP CCCC[NH+]1CCC(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000130020320 394879391 /nfs/dbraw/zinc/87/93/91/394879391.db2.gz QWFXJEBWEIARTH-ZBFHGGJFSA-N 2 1 279.472 2.466 20 0 CEADMP COc1cc(F)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423010915 394879825 /nfs/dbraw/zinc/87/98/25/394879825.db2.gz AGIQWZRXYWJFCU-PBWFPOADSA-N 2 1 264.344 2.207 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC3(C)COC3)C2)CC1 ZINC000336824938 394880218 /nfs/dbraw/zinc/88/02/18/394880218.db2.gz WOBAFCDQAUBZAQ-INIZCTEOSA-N 2 1 280.456 2.467 20 0 CEADMP C[C@]1(C[NH2+]C2CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000415083574 394881247 /nfs/dbraw/zinc/88/12/47/394881247.db2.gz PXUYZDAEILMSDA-SFHVURJKSA-N 2 1 287.451 2.240 20 0 CEADMP COC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130183966 394882288 /nfs/dbraw/zinc/88/22/88/394882288.db2.gz NXJSNMHYUFBOOF-MELADBBJSA-N 2 1 254.418 2.406 20 0 CEADMP c1ccc2c(c1)CCN[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000414965633 394829269 /nfs/dbraw/zinc/82/92/69/394829269.db2.gz ZUSWCZIGSXNNDE-INDMIFKZSA-N 2 1 299.462 2.384 20 0 CEADMP COC[C@@]1(C[NH2+]CCSCc2ccccc2)CCC[NH2+]1 ZINC000414965356 394829430 /nfs/dbraw/zinc/82/94/30/394829430.db2.gz ZHCYTSYOEDFOHV-INIZCTEOSA-N 2 1 294.464 2.278 20 0 CEADMP CC(C)Cc1ncc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000414966968 394829742 /nfs/dbraw/zinc/82/97/42/394829742.db2.gz XDKNGXMRTPAEFA-WCQYABFASA-N 2 1 267.442 2.429 20 0 CEADMP CC(C)([NH3+])C[NH2+]CCOc1cccc(Br)c1 ZINC000415084862 394882767 /nfs/dbraw/zinc/88/27/67/394882767.db2.gz RSIXREYATRIVQN-UHFFFAOYSA-N 2 1 287.201 2.155 20 0 CEADMP CC[NH2+][C@H](C)CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000414969608 394831427 /nfs/dbraw/zinc/83/14/27/394831427.db2.gz ZLWDLANKWHFIJC-BFYDXBDKSA-N 2 1 275.440 2.095 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Br)cc1 ZINC000414972140 394832853 /nfs/dbraw/zinc/83/28/53/394832853.db2.gz AAAXMDUMSDGCFH-NSHDSACASA-N 2 1 257.175 2.276 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000414974887 394833831 /nfs/dbraw/zinc/83/38/31/394833831.db2.gz FIMAAHPVXQLRJR-CYBMUJFWSA-N 2 1 266.385 2.309 20 0 CEADMP COc1ccc(OC)c(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000414979085 394834961 /nfs/dbraw/zinc/83/49/61/394834961.db2.gz URBQKORVGFTYAR-OAHLLOKOSA-N 2 1 278.396 2.182 20 0 CEADMP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000336219588 394835382 /nfs/dbraw/zinc/83/53/82/394835382.db2.gz QHLWAOGADBBBOT-KGLIPLIRSA-N 2 1 290.411 2.023 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000423025941 394883163 /nfs/dbraw/zinc/88/31/63/394883163.db2.gz AHCVUSAEGXOLKI-LVQVYYBASA-N 2 1 267.461 2.370 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000423025941 394883165 /nfs/dbraw/zinc/88/31/65/394883165.db2.gz AHCVUSAEGXOLKI-LVQVYYBASA-N 2 1 267.461 2.370 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c(C(F)(F)F)c1 ZINC000422876947 394844847 /nfs/dbraw/zinc/84/48/47/394844847.db2.gz GVNFVPKZONTVNN-VIFPVBQESA-N 2 1 288.313 2.412 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000422878687 394845765 /nfs/dbraw/zinc/84/57/65/394845765.db2.gz UCVGNYXLAVUAJM-BSWAZPDLSA-N 2 1 273.424 2.119 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CN1Cc1ccccc1 ZINC000422878687 394845767 /nfs/dbraw/zinc/84/57/67/394845767.db2.gz UCVGNYXLAVUAJM-BSWAZPDLSA-N 2 1 273.424 2.119 20 0 CEADMP CC[N@@H+](CCN[C@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000422882288 394847978 /nfs/dbraw/zinc/84/79/78/394847978.db2.gz RWGFEIYRVANTPC-CYBMUJFWSA-N 2 1 278.444 2.230 20 0 CEADMP CCN(CC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000422882288 394847982 /nfs/dbraw/zinc/84/79/82/394847982.db2.gz RWGFEIYRVANTPC-CYBMUJFWSA-N 2 1 278.444 2.230 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423025814 394883786 /nfs/dbraw/zinc/88/37/86/394883786.db2.gz ACBIBFORWMHDLC-OIISXLGYSA-N 2 1 276.424 2.100 20 0 CEADMP C[C@H]1CC[NH2+][C@H](C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000126782922 394848705 /nfs/dbraw/zinc/84/87/05/394848705.db2.gz XXDMSZRCSYLMKM-HOCLYGCPSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000423025048 394883871 /nfs/dbraw/zinc/88/38/71/394883871.db2.gz NHHLILZZVVRWEA-YPMHNXCESA-N 2 1 299.365 2.203 20 0 CEADMP Cc1cc(C)c(C[NH2+]C[C@H]2C[NH2+]CCCO2)c(C)c1 ZINC000415037410 394858702 /nfs/dbraw/zinc/85/87/02/394858702.db2.gz LBOQSINCASUEOZ-OAHLLOKOSA-N 2 1 262.397 2.080 20 0 CEADMP C[C@H](NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C1C[NH2+]C1 ZINC000422910932 394859449 /nfs/dbraw/zinc/85/94/49/394859449.db2.gz RWJQWWCUPZXBJD-YOEHRIQHSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])C[C@H](C)O1 ZINC000422915255 394860442 /nfs/dbraw/zinc/86/04/42/394860442.db2.gz XUNBKWWJCJVCKZ-YYIAUSFCSA-N 3 1 297.487 2.125 20 0 CEADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCCC[C@H]2N)C[C@H](C)O1 ZINC000422915255 394860445 /nfs/dbraw/zinc/86/04/45/394860445.db2.gz XUNBKWWJCJVCKZ-YYIAUSFCSA-N 2 1 297.487 2.125 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCCC[C@H]2N)C[C@H](C)O1 ZINC000422915255 394860448 /nfs/dbraw/zinc/86/04/48/394860448.db2.gz XUNBKWWJCJVCKZ-YYIAUSFCSA-N 2 1 297.487 2.125 20 0 CEADMP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1O ZINC000415041788 394860818 /nfs/dbraw/zinc/86/08/18/394860818.db2.gz LRXGNVOEQYSSBL-CABCVRRESA-N 2 1 290.407 2.365 20 0 CEADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1O ZINC000415041788 394860820 /nfs/dbraw/zinc/86/08/20/394860820.db2.gz LRXGNVOEQYSSBL-CABCVRRESA-N 2 1 290.407 2.365 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000415092036 394886663 /nfs/dbraw/zinc/88/66/63/394886663.db2.gz RXPNLQGFJQAOBV-CVEARBPZSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@H]([NH3+])CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423228032 394887952 /nfs/dbraw/zinc/88/79/52/394887952.db2.gz XYWXJTLKWHEPLY-BPUTZDHNSA-N 2 1 261.413 2.149 20 0 CEADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CCOCC3)CC[NH2+]2)cc1 ZINC000415097759 394889176 /nfs/dbraw/zinc/88/91/76/394889176.db2.gz DISSVWUJHOPRSW-IRXDYDNUSA-N 2 1 274.408 2.496 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CCCC[NH3+])C[C@@H]1c1ccccc1 ZINC000423322825 394890003 /nfs/dbraw/zinc/89/00/03/394890003.db2.gz ISWSAOPEWKRVND-HZPDHXFCSA-N 3 1 261.413 2.150 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCC[NH3+])C[C@@H]1c1ccccc1 ZINC000423322825 394890005 /nfs/dbraw/zinc/89/00/05/394890005.db2.gz ISWSAOPEWKRVND-HZPDHXFCSA-N 3 1 261.413 2.150 20 0 CEADMP COc1cc([C@H](C)[NH2+]CC2([NH3+])CCC2)ccc1F ZINC000423339699 394891300 /nfs/dbraw/zinc/89/13/00/394891300.db2.gz WTKAQPOPFKAOQB-JTQLQIEISA-N 2 1 252.333 2.366 20 0 CEADMP C[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(CN(C)C)c2)CC[NH2+]1 ZINC000415111566 394893312 /nfs/dbraw/zinc/89/33/12/394893312.db2.gz RENWQSKJAPHJNR-DZGCQCFKSA-N 2 1 293.430 2.365 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000364398927 394897925 /nfs/dbraw/zinc/89/79/25/394897925.db2.gz GXXYTKWSJALJCG-HNNXBMFYSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](C2CC2)C1 ZINC000364398927 394897930 /nfs/dbraw/zinc/89/79/30/394897930.db2.gz GXXYTKWSJALJCG-HNNXBMFYSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000415130384 394900307 /nfs/dbraw/zinc/90/03/07/394900307.db2.gz QUBFDSQJQKQAPL-XJKSGUPXSA-N 2 1 261.413 2.239 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@](C)(O)C(F)(F)F)C2)CC1 ZINC000366900729 394954037 /nfs/dbraw/zinc/95/40/37/394954037.db2.gz HMMFWRQTLNFXTH-GFCCVEGCSA-N 2 1 294.361 2.108 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](C[C@](C)(O)C(F)(F)F)C2)CC1 ZINC000366900730 394954158 /nfs/dbraw/zinc/95/41/58/394954158.db2.gz HMMFWRQTLNFXTH-LBPRGKRZSA-N 2 1 294.361 2.108 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000423369253 394904173 /nfs/dbraw/zinc/90/41/73/394904173.db2.gz SRWXFOALBPLKDD-FZCLSBEQSA-N 2 1 287.451 2.095 20 0 CEADMP C[NH2+][C@@H](C)C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000423375516 394907450 /nfs/dbraw/zinc/90/74/50/394907450.db2.gz AGUQEOKVWYFIPI-OLZOCXBDSA-N 2 1 280.412 2.141 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000423376427 394907465 /nfs/dbraw/zinc/90/74/65/394907465.db2.gz JFJLNBGKTNCPQR-NHCYSSNCSA-N 2 1 282.409 2.326 20 0 CEADMP CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1)C1CC1 ZINC000131444754 394910563 /nfs/dbraw/zinc/91/05/63/394910563.db2.gz ODZSGXPVDLGNAT-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000131444754 394910566 /nfs/dbraw/zinc/91/05/66/394910566.db2.gz ODZSGXPVDLGNAT-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000131444754 394910570 /nfs/dbraw/zinc/91/05/70/394910570.db2.gz ODZSGXPVDLGNAT-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc2cccnc21 ZINC000131529751 394912397 /nfs/dbraw/zinc/91/23/97/394912397.db2.gz QBCADYYMWYFFPF-STQMWFEESA-N 2 1 255.365 2.404 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1OC ZINC000131491776 394912651 /nfs/dbraw/zinc/91/26/51/394912651.db2.gz HSYQVEGBOVICCT-WCQYABFASA-N 2 1 264.369 2.015 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1OC ZINC000131491776 394912652 /nfs/dbraw/zinc/91/26/52/394912652.db2.gz HSYQVEGBOVICCT-WCQYABFASA-N 2 1 264.369 2.015 20 0 CEADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nnn1-c1ccccc1 ZINC000423396108 394913518 /nfs/dbraw/zinc/91/35/18/394913518.db2.gz SFRYHQWHCCHEFD-AEGPPILISA-N 2 1 299.422 2.496 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cn1 ZINC000423397879 394915111 /nfs/dbraw/zinc/91/51/11/394915111.db2.gz VDBNLEFILFZHPU-UKRRQHHQSA-N 2 1 291.439 2.389 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c(OC)c1 ZINC000423400073 394915870 /nfs/dbraw/zinc/91/58/70/394915870.db2.gz WJPODSQYECVWDL-RWMBFGLXSA-N 2 1 278.396 2.495 20 0 CEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)cs1 ZINC000423428161 394919901 /nfs/dbraw/zinc/91/99/01/394919901.db2.gz JFACGFIAFPGLPP-WGNDUZGJSA-N 2 1 287.226 2.379 20 0 CEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2c(c1)CCCC2 ZINC000423428904 394920092 /nfs/dbraw/zinc/92/00/92/394920092.db2.gz JSOABTVENOSXNR-IAOMBJDPSA-N 2 1 256.393 2.434 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423457877 394925496 /nfs/dbraw/zinc/92/54/96/394925496.db2.gz GGYPRDDYCCFSON-ZFWWWQNUSA-N 3 1 279.428 2.015 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423458708 394925793 /nfs/dbraw/zinc/92/57/93/394925793.db2.gz HBMCRGCLBNOPBJ-TZMCWYRMSA-N 2 1 258.369 2.260 20 0 CEADMP Cc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CC2)cc1 ZINC000423492708 394935664 /nfs/dbraw/zinc/93/56/64/394935664.db2.gz OILSDSWUWVYJCY-IAGOWNOFSA-N 2 1 274.408 2.414 20 0 CEADMP CC[C@@H](C)[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423501361 394937450 /nfs/dbraw/zinc/93/74/50/394937450.db2.gz CROKPGWFZDSZGQ-QVOMUQBLSA-N 2 1 267.461 2.227 20 0 CEADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C1 ZINC000423503325 394938406 /nfs/dbraw/zinc/93/84/06/394938406.db2.gz FLEACIDCTFZLET-OAGGEKHMSA-N 2 1 267.461 2.085 20 0 CEADMP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C2CCC2)cc1 ZINC000423504923 394939555 /nfs/dbraw/zinc/93/95/55/394939555.db2.gz GEURKOPCMCRPJF-ROUUACIJSA-N 2 1 287.451 2.329 20 0 CEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(CO)c1 ZINC000423505216 394939581 /nfs/dbraw/zinc/93/95/81/394939581.db2.gz OBMOWBBZSAVETN-LRDDRELGSA-N 2 1 262.397 2.347 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423510887 394941454 /nfs/dbraw/zinc/94/14/54/394941454.db2.gz SQNDCKFRMXTNOW-DDUZABMNSA-N 2 1 287.451 2.464 20 0 CEADMP CC1CC[NH+](CCN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000366361253 394943495 /nfs/dbraw/zinc/94/34/95/394943495.db2.gz SPGDHGHEQJHOBP-FGTMMUONSA-N 2 1 291.483 2.134 20 0 CEADMP C(C[NH+]1CCCC1)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000366446166 394945624 /nfs/dbraw/zinc/94/56/24/394945624.db2.gz ZWMKASMAHTVXDW-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1CCCOC1 ZINC000423533642 394946905 /nfs/dbraw/zinc/94/69/05/394946905.db2.gz UDWUGSMOFCKWDU-MXASKKJJSA-N 2 1 274.408 2.147 20 0 CEADMP CC(C)(O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366618862 394950471 /nfs/dbraw/zinc/95/04/71/394950471.db2.gz AZJHIIYMVJBTAX-ZFWWWQNUSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)(O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366618862 394950478 /nfs/dbraw/zinc/95/04/78/394950478.db2.gz AZJHIIYMVJBTAX-ZFWWWQNUSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)(O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000366618862 394950481 /nfs/dbraw/zinc/95/04/81/394950481.db2.gz AZJHIIYMVJBTAX-ZFWWWQNUSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)(O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000366618862 394950486 /nfs/dbraw/zinc/95/04/86/394950486.db2.gz AZJHIIYMVJBTAX-ZFWWWQNUSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(C2CC2)c1 ZINC000340361797 394984006 /nfs/dbraw/zinc/98/40/06/394984006.db2.gz ZWNNMVYKGBLMLL-SUMWQHHRSA-N 2 1 274.408 2.281 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000340361797 394984009 /nfs/dbraw/zinc/98/40/09/394984009.db2.gz ZWNNMVYKGBLMLL-SUMWQHHRSA-N 2 1 274.408 2.281 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)CC(F)F)C[C@@H]1c1ccccc1 ZINC000340368062 394985372 /nfs/dbraw/zinc/98/53/72/394985372.db2.gz AAPRTKWXGVRKKY-RRFJBIMHSA-N 2 1 298.377 2.428 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)CC(F)F)C[C@@H]1c1ccccc1 ZINC000340368062 394985375 /nfs/dbraw/zinc/98/53/75/394985375.db2.gz AAPRTKWXGVRKKY-RRFJBIMHSA-N 2 1 298.377 2.428 20 0 CEADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccccc1-n1ccnc1 ZINC000152238957 394990602 /nfs/dbraw/zinc/99/06/02/394990602.db2.gz OLFDHYBENVTTGC-ZBFHGGJFSA-N 3 1 284.407 2.302 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000341379169 395000814 /nfs/dbraw/zinc/00/08/14/395000814.db2.gz OZTKGOKIRDCNCO-BRWVUGGUSA-N 2 1 278.440 2.433 20 0 CEADMP Cn1cccc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000153291505 395004146 /nfs/dbraw/zinc/00/41/46/395004146.db2.gz YQEGIARARRKCOL-UHFFFAOYSA-N 2 1 299.418 2.147 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)C[C@H]21 ZINC000342079814 395010160 /nfs/dbraw/zinc/01/01/60/395010160.db2.gz FFXZHIDJEOFJBU-NUEKZKHPSA-N 2 1 297.402 2.500 20 0 CEADMP C[C@H]1C[C@@H](N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1C ZINC000153681466 395014247 /nfs/dbraw/zinc/01/42/47/395014247.db2.gz BYFZHBAMWXPBQL-SOUVJXGZSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]1C[C@@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1C ZINC000153681466 395014253 /nfs/dbraw/zinc/01/42/53/395014253.db2.gz BYFZHBAMWXPBQL-SOUVJXGZSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1C ZINC000153681466 395014255 /nfs/dbraw/zinc/01/42/55/395014255.db2.gz BYFZHBAMWXPBQL-SOUVJXGZSA-N 2 1 265.445 2.076 20 0 CEADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367613148 394966785 /nfs/dbraw/zinc/96/67/85/394966785.db2.gz FJRBAZNTRDLQFL-MGPQQGTHSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000158657008 395051487 /nfs/dbraw/zinc/05/14/87/395051487.db2.gz SLMXIJNZHVRWST-WCXIOVBPSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000158657008 395051491 /nfs/dbraw/zinc/05/14/91/395051491.db2.gz SLMXIJNZHVRWST-WCXIOVBPSA-N 3 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000158657008 395051494 /nfs/dbraw/zinc/05/14/94/395051494.db2.gz SLMXIJNZHVRWST-WCXIOVBPSA-N 3 1 281.488 2.284 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000161581192 395064327 /nfs/dbraw/zinc/06/43/27/395064327.db2.gz ZFCNMUZMEWFBDB-IAGOWNOFSA-N 2 1 279.472 2.421 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2nccn21 ZINC000345359536 395066099 /nfs/dbraw/zinc/06/60/99/395066099.db2.gz RRRZSJHRPDJVMO-RFGFWPKPSA-N 2 1 260.385 2.105 20 0 CEADMP CO[C@H](CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(F)(F)F ZINC000345441482 395066749 /nfs/dbraw/zinc/06/67/49/395066749.db2.gz BBWLHDWECNADEB-OUAUKWLOSA-N 2 1 268.323 2.026 20 0 CEADMP CCOC[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000162141422 395070343 /nfs/dbraw/zinc/07/03/43/395070343.db2.gz IECOUHGVNSCCGP-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP CCOC[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000162141422 395070344 /nfs/dbraw/zinc/07/03/44/395070344.db2.gz IECOUHGVNSCCGP-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC(C(=O)OC)CC2)C1 ZINC000425945823 395071257 /nfs/dbraw/zinc/07/12/57/395071257.db2.gz SKXIRVGLCNLSBE-WLYUNCDWSA-N 2 1 282.428 2.040 20 0 CEADMP CC[C@]1(CO)CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000426461704 395076381 /nfs/dbraw/zinc/07/63/81/395076381.db2.gz QYHKVFLAGVGPFP-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP CC[C@]1(CO)CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000426461704 395076386 /nfs/dbraw/zinc/07/63/86/395076386.db2.gz QYHKVFLAGVGPFP-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP CC[C@]1(CO)CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000426461704 395076391 /nfs/dbraw/zinc/07/63/91/395076391.db2.gz QYHKVFLAGVGPFP-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP CCCCNC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374177860 395076478 /nfs/dbraw/zinc/07/64/78/395076478.db2.gz OCVXYYZWYNNGQU-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@H+]1C ZINC000426781957 395079272 /nfs/dbraw/zinc/07/92/72/395079272.db2.gz FBOROGNWCPPNGC-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000346997831 395116620 /nfs/dbraw/zinc/11/66/20/395116620.db2.gz XXXYCBLBCWGOFO-RDBSUJKOSA-N 2 1 254.443 2.346 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000346997831 395116622 /nfs/dbraw/zinc/11/66/22/395116622.db2.gz XXXYCBLBCWGOFO-RDBSUJKOSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@@H](CCC[NH3+])NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000417017850 395105097 /nfs/dbraw/zinc/10/50/97/395105097.db2.gz PKVWTKITJAXNDH-AWEZNQCLSA-N 2 1 298.475 2.068 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000290616981 395111512 /nfs/dbraw/zinc/11/15/12/395111512.db2.gz WZLFJCCKMWCQLC-ZFWWWQNUSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000290616981 395111515 /nfs/dbraw/zinc/11/15/15/395111515.db2.gz WZLFJCCKMWCQLC-ZFWWWQNUSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000290616981 395111517 /nfs/dbraw/zinc/11/15/17/395111517.db2.gz WZLFJCCKMWCQLC-ZFWWWQNUSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000290616981 395111520 /nfs/dbraw/zinc/11/15/20/395111520.db2.gz WZLFJCCKMWCQLC-ZFWWWQNUSA-N 2 1 290.407 2.317 20 0 CEADMP CCOc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)ccc1OC ZINC000291641748 395146907 /nfs/dbraw/zinc/14/69/07/395146907.db2.gz BQOILBDPEXXRIC-CYBMUJFWSA-N 2 1 280.412 2.381 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000379190175 395161931 /nfs/dbraw/zinc/16/19/31/395161931.db2.gz IKRLJFBKZRECQG-VNQPRFMTSA-N 2 1 262.397 2.291 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H](OC)c2ccccc2)CC[C@H]1[NH3+] ZINC000379242466 395162113 /nfs/dbraw/zinc/16/21/13/395162113.db2.gz XMGVCIGLDZNTDU-FVQBIDKESA-N 2 1 262.397 2.433 20 0 CEADMP CC[C@H]([NH2+][C@H](C)C[NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497149785 395162454 /nfs/dbraw/zinc/16/24/54/395162454.db2.gz SONUPJKPRVXGPO-FRRDWIJNSA-N 2 1 285.432 2.101 20 0 CEADMP COCc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000382553017 395181986 /nfs/dbraw/zinc/18/19/86/395181986.db2.gz WGGMQWGLISKIMI-CZUORRHYSA-N 2 1 278.396 2.390 20 0 CEADMP COCc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000382553017 395181992 /nfs/dbraw/zinc/18/19/92/395181992.db2.gz WGGMQWGLISKIMI-CZUORRHYSA-N 2 1 278.396 2.390 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(F)cc1 ZINC000430625584 395165010 /nfs/dbraw/zinc/16/50/10/395165010.db2.gz QMRBNRGJLJUJNF-SWLSCSKDSA-N 2 1 293.386 2.356 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(F)cc1 ZINC000430625584 395165018 /nfs/dbraw/zinc/16/50/18/395165018.db2.gz QMRBNRGJLJUJNF-SWLSCSKDSA-N 2 1 293.386 2.356 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291820161 395169086 /nfs/dbraw/zinc/16/90/86/395169086.db2.gz ZEDPJBXEIYGBSJ-AWEZNQCLSA-N 2 1 286.423 2.468 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CCC(C)CC1 ZINC000381321137 395173423 /nfs/dbraw/zinc/17/34/23/395173423.db2.gz GAYFZKQAQOVGMA-NRXISQOPSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C1CCC(C)CC1 ZINC000381321137 395173428 /nfs/dbraw/zinc/17/34/28/395173428.db2.gz GAYFZKQAQOVGMA-NRXISQOPSA-N 2 1 256.434 2.198 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351521524 395226955 /nfs/dbraw/zinc/22/69/55/395226955.db2.gz VCAWEBHTYOLWTO-VRKREXBASA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351521524 395226957 /nfs/dbraw/zinc/22/69/57/395226957.db2.gz VCAWEBHTYOLWTO-VRKREXBASA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351521524 395226960 /nfs/dbraw/zinc/22/69/60/395226960.db2.gz VCAWEBHTYOLWTO-VRKREXBASA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351521524 395226962 /nfs/dbraw/zinc/22/69/62/395226962.db2.gz VCAWEBHTYOLWTO-VRKREXBASA-N 2 1 266.429 2.095 20 0 CEADMP CC(C)=CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182563090 395245208 /nfs/dbraw/zinc/24/52/08/395245208.db2.gz BTJVHHFRTCUBKI-SJPCQFCGSA-N 2 1 277.456 2.195 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000399792388 395247830 /nfs/dbraw/zinc/24/78/30/395247830.db2.gz QUARTXXOZRJHEM-HZPDHXFCSA-N 2 1 259.397 2.149 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000418204565 395194001 /nfs/dbraw/zinc/19/40/01/395194001.db2.gz XRZLRKUHUXZUJH-ILXRZTDVSA-N 2 1 298.475 2.018 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000519639141 395201423 /nfs/dbraw/zinc/20/14/23/395201423.db2.gz FOGJGQLYJIJMLH-QMTHXVAHSA-N 2 1 287.407 2.304 20 0 CEADMP C(C[N@H+]1CCC[C@H]1[C@H]1CCCOC1)[C@@H]1CCC[NH2+]C1 ZINC000519654546 395203665 /nfs/dbraw/zinc/20/36/65/395203665.db2.gz TXTXCWSOHUPSEB-JYJNAYRXSA-N 2 1 266.429 2.267 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000394272203 395204818 /nfs/dbraw/zinc/20/48/18/395204818.db2.gz ACFSVNISFVPAQX-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP COCC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCCSC1 ZINC000433189321 395206652 /nfs/dbraw/zinc/20/66/52/395206652.db2.gz RWCDVDVLYVHPPV-GJZGRUSLSA-N 2 1 286.485 2.315 20 0 CEADMP COCC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCSC1 ZINC000433189321 395206655 /nfs/dbraw/zinc/20/66/55/395206655.db2.gz RWCDVDVLYVHPPV-GJZGRUSLSA-N 2 1 286.485 2.315 20 0 CEADMP COCC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCCSC1 ZINC000433189321 395206657 /nfs/dbraw/zinc/20/66/57/395206657.db2.gz RWCDVDVLYVHPPV-GJZGRUSLSA-N 2 1 286.485 2.315 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000438196674 395210142 /nfs/dbraw/zinc/21/01/42/395210142.db2.gz DKGQAXYGTWYTTG-CABCVRRESA-N 2 1 254.418 2.123 20 0 CEADMP C(C[C@H]1CCOC1)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000438201542 395211639 /nfs/dbraw/zinc/21/16/39/395211639.db2.gz MGJNGHISDJXHDV-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP C(C[C@H]1CCOC1)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000438201542 395211646 /nfs/dbraw/zinc/21/16/46/395211646.db2.gz MGJNGHISDJXHDV-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2)C[C@H]1C[NH3+] ZINC000397289138 395220950 /nfs/dbraw/zinc/22/09/50/395220950.db2.gz WEJWTWTYJBXOIQ-RBSFLKMASA-N 2 1 289.423 2.320 20 0 CEADMP C[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000400491300 395252773 /nfs/dbraw/zinc/25/27/73/395252773.db2.gz ZIZXWVWTAALEEJ-FZCLSBEQSA-N 2 1 287.451 2.237 20 0 CEADMP Fc1ccc([C@@H]2C[N@H+](CCCn3ccnc3)CCO2)cc1 ZINC000183159440 395252928 /nfs/dbraw/zinc/25/29/28/395252928.db2.gz YVFXYIUNNFDIDS-INIZCTEOSA-N 2 1 289.354 2.486 20 0 CEADMP Fc1ccc([C@@H]2C[N@@H+](CCCn3ccnc3)CCO2)cc1 ZINC000183159440 395252933 /nfs/dbraw/zinc/25/29/33/395252933.db2.gz YVFXYIUNNFDIDS-INIZCTEOSA-N 2 1 289.354 2.486 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCC3)C2)[C@@H]2CCC[C@H]21 ZINC000353501995 395299763 /nfs/dbraw/zinc/29/97/63/395299763.db2.gz JZWITODQVPXHKE-LAVFITLUSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]2CCC[C@H]21 ZINC000353501995 395299765 /nfs/dbraw/zinc/29/97/65/395299765.db2.gz JZWITODQVPXHKE-LAVFITLUSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@@H]2CCC[C@H]21 ZINC000353501995 395299767 /nfs/dbraw/zinc/29/97/67/395299767.db2.gz JZWITODQVPXHKE-LAVFITLUSA-N 2 1 291.483 2.466 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000420325439 395327737 /nfs/dbraw/zinc/32/77/37/395327737.db2.gz WNOORZKNUQRUEM-XHSDSOJGSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000420325439 395327738 /nfs/dbraw/zinc/32/77/38/395327738.db2.gz WNOORZKNUQRUEM-XHSDSOJGSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000420325439 395327740 /nfs/dbraw/zinc/32/77/40/395327740.db2.gz WNOORZKNUQRUEM-XHSDSOJGSA-N 3 1 267.461 2.181 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000420325439 395327743 /nfs/dbraw/zinc/32/77/43/395327743.db2.gz WNOORZKNUQRUEM-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CC[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000420325439 395327745 /nfs/dbraw/zinc/32/77/45/395327745.db2.gz WNOORZKNUQRUEM-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]([NH2+][C@H](C)C[NH+](CC)CC)C1(C(=O)OC)CCC1 ZINC000353544759 395301465 /nfs/dbraw/zinc/30/14/65/395301465.db2.gz JNLHHTINRIRHND-ZIAGYGMSSA-N 2 1 284.444 2.428 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C(C)C ZINC000440133631 395301945 /nfs/dbraw/zinc/30/19/45/395301945.db2.gz QIYYLXUDYVUFJX-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC000440133631 395301948 /nfs/dbraw/zinc/30/19/48/395301948.db2.gz QIYYLXUDYVUFJX-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC000440133631 395301953 /nfs/dbraw/zinc/30/19/53/395301953.db2.gz QIYYLXUDYVUFJX-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)cc1OC ZINC000420295353 395302685 /nfs/dbraw/zinc/30/26/85/395302685.db2.gz ABSPNFDKNVERFA-CQSZACIVSA-N 2 1 292.423 2.444 20 0 CEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H](CCO)c1ccccc1 ZINC000420298189 395304215 /nfs/dbraw/zinc/30/42/15/395304215.db2.gz GZFWXJVDZLLNRS-GOEBONIOSA-N 2 1 262.397 2.042 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)C[C@H]2CCCOC2)cc1 ZINC000420301053 395305265 /nfs/dbraw/zinc/30/52/65/395305265.db2.gz KYLDFOCJZSLZKF-GDBMZVCRSA-N 2 1 292.423 2.096 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCSC[C@@H]2C)cc1 ZINC000420308127 395312474 /nfs/dbraw/zinc/31/24/74/395312474.db2.gz SBAWUPMVSHTORT-GXTWGEPZSA-N 2 1 280.437 2.175 20 0 CEADMP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH+]1CCCCC1 ZINC000353991211 395312829 /nfs/dbraw/zinc/31/28/29/395312829.db2.gz ADBRXBBEYFHYKO-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCc1nccn1[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420313385 395316746 /nfs/dbraw/zinc/31/67/46/395316746.db2.gz JAFVZEFDFSWUIU-JKSUJKDBSA-N 3 1 290.455 2.472 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000440472509 395317293 /nfs/dbraw/zinc/31/72/93/395317293.db2.gz USSDBEDSKTUZFD-QGZVFWFLSA-N 2 1 285.391 2.005 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000354181220 395319137 /nfs/dbraw/zinc/31/91/37/395319137.db2.gz LCXGXHXVZRUFJB-RRFJBIMHSA-N 2 1 254.418 2.121 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000420319705 395322082 /nfs/dbraw/zinc/32/20/82/395322082.db2.gz RYZDKTWXEWRRDQ-INIZCTEOSA-N 2 1 262.397 2.299 20 0 CEADMP CO[C@@H](CC(C)C)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000419222156 395255738 /nfs/dbraw/zinc/25/57/38/395255738.db2.gz WVHLIDXFUWRVFB-CABCVRRESA-N 2 1 256.434 2.321 20 0 CEADMP CO[C@@H](CC(C)C)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000419222156 395255742 /nfs/dbraw/zinc/25/57/42/395255742.db2.gz WVHLIDXFUWRVFB-CABCVRRESA-N 2 1 256.434 2.321 20 0 CEADMP CO[C@@H](CC(C)C)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000419222156 395255747 /nfs/dbraw/zinc/25/57/47/395255747.db2.gz WVHLIDXFUWRVFB-CABCVRRESA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2CC[NH3+])CCO1 ZINC000352533843 395261419 /nfs/dbraw/zinc/26/14/19/395261419.db2.gz ADETYUVDIHRALH-RRFJBIMHSA-N 2 1 254.418 2.395 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2cccnc2)cc1 ZINC000420368382 395355317 /nfs/dbraw/zinc/35/53/17/395355317.db2.gz WTUIIVIAAYOSRQ-MRXNPFEDSA-N 2 1 285.391 2.265 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2cccnc2)cc1 ZINC000420368382 395355321 /nfs/dbraw/zinc/35/53/21/395355321.db2.gz WTUIIVIAAYOSRQ-MRXNPFEDSA-N 2 1 285.391 2.265 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(CC(=O)OC)CC2)C[C@H]1C ZINC000440781775 395355773 /nfs/dbraw/zinc/35/57/73/395355773.db2.gz CALQSHJOSYCQEE-ZIAGYGMSSA-N 2 1 282.428 2.134 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(CC(=O)OC)CC2)C[C@H]1C ZINC000440781775 395355778 /nfs/dbraw/zinc/35/57/78/395355778.db2.gz CALQSHJOSYCQEE-ZIAGYGMSSA-N 2 1 282.428 2.134 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(CC(=O)OC)CC2)C[C@H]1C ZINC000440781775 395355786 /nfs/dbraw/zinc/35/57/86/395355786.db2.gz CALQSHJOSYCQEE-ZIAGYGMSSA-N 2 1 282.428 2.134 20 0 CEADMP CCCCN(CCCC)C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420368061 395355962 /nfs/dbraw/zinc/35/59/62/395355962.db2.gz TYGVXQQYHPWNAZ-HNNXBMFYSA-N 2 1 297.487 2.393 20 0 CEADMP C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420371598 395356755 /nfs/dbraw/zinc/35/67/55/395356755.db2.gz KODMTNISEMYGAK-JKIFEVAISA-N 2 1 274.408 2.310 20 0 CEADMP CC[C@H](F)C[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000440790811 395357828 /nfs/dbraw/zinc/35/78/28/395357828.db2.gz GGDMCRMBDKSLFS-KBPBESRZSA-N 2 1 260.397 2.167 20 0 CEADMP COCCCCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420393935 395369507 /nfs/dbraw/zinc/36/95/07/395369507.db2.gz KFGFAGMFNKCDMO-GJZGRUSLSA-N 2 1 254.418 2.267 20 0 CEADMP CC[N@H+](CC(=O)NCCC(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435627789 395380278 /nfs/dbraw/zinc/38/02/78/395380278.db2.gz SLXYFIXZDKEGDY-AWEZNQCLSA-N 2 1 283.460 2.003 20 0 CEADMP CC[N@@H+](CC(=O)NCCC(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435627789 395380282 /nfs/dbraw/zinc/38/02/82/395380282.db2.gz SLXYFIXZDKEGDY-AWEZNQCLSA-N 2 1 283.460 2.003 20 0 CEADMP CC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435628922 395380487 /nfs/dbraw/zinc/38/04/87/395380487.db2.gz WIRJVJJWSUKRFI-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435628922 395380491 /nfs/dbraw/zinc/38/04/91/395380491.db2.gz WIRJVJJWSUKRFI-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP C[NH2+]CCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000435886464 395394644 /nfs/dbraw/zinc/39/46/44/395394644.db2.gz XNHYYGCGWSHICQ-UHFFFAOYSA-N 3 1 289.467 2.440 20 0 CEADMP C[NH2+]CCCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000435886464 395394649 /nfs/dbraw/zinc/39/46/49/395394649.db2.gz XNHYYGCGWSHICQ-UHFFFAOYSA-N 2 1 289.467 2.440 20 0 CEADMP C[NH2+]CCCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000435886464 395394652 /nfs/dbraw/zinc/39/46/52/395394652.db2.gz XNHYYGCGWSHICQ-UHFFFAOYSA-N 2 1 289.467 2.440 20 0 CEADMP FC(F)(F)CCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420324416 395327876 /nfs/dbraw/zinc/32/78/76/395327876.db2.gz ZRAQIBNMHLFINJ-MNOVXSKESA-N 2 1 250.308 2.260 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420330320 395330940 /nfs/dbraw/zinc/33/09/40/395330940.db2.gz AYZGSDLUECEVKQ-INIZCTEOSA-N 3 1 276.428 2.046 20 0 CEADMP C(CN1CCCCC1)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420336177 395334208 /nfs/dbraw/zinc/33/42/08/395334208.db2.gz LPFOAMGTTMZCOE-QGZVFWFLSA-N 2 1 279.472 2.326 20 0 CEADMP C(CN1CCC([C@H]2CCC[NH2+]2)CC1)C[NH+]1CCCCC1 ZINC000420336177 395334212 /nfs/dbraw/zinc/33/42/12/395334212.db2.gz LPFOAMGTTMZCOE-QGZVFWFLSA-N 2 1 279.472 2.326 20 0 CEADMP CC(C)(C)c1noc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420336134 395334898 /nfs/dbraw/zinc/33/48/98/395334898.db2.gz VKZBPSDVFUCKTI-QWHCGFSZSA-N 2 1 292.427 2.189 20 0 CEADMP CC(C)(C)c1noc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420336134 395334901 /nfs/dbraw/zinc/33/49/01/395334901.db2.gz VKZBPSDVFUCKTI-QWHCGFSZSA-N 2 1 292.427 2.189 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000354579077 395337163 /nfs/dbraw/zinc/33/71/63/395337163.db2.gz UBYQNZFKUCSDDJ-UHFFFAOYSA-N 2 1 294.439 2.350 20 0 CEADMP COc1cccc2c1CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000420354749 395342932 /nfs/dbraw/zinc/34/29/32/395342932.db2.gz DFERXXMMYMEZAI-ZDUSSCGKSA-N 2 1 260.381 2.053 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)NCCC1CCCCC1 ZINC000420355890 395343168 /nfs/dbraw/zinc/34/31/68/395343168.db2.gz FMCDBDXNOASMFM-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cc(F)cc(F)c1 ZINC000420354369 395343251 /nfs/dbraw/zinc/34/32/51/395343251.db2.gz CYWUGISPHGOGPY-LLVKDONJSA-N 2 1 254.324 2.396 20 0 CEADMP Cn1c(CC[NH2+][C@@H](C[NH3+])C(C)(C)C)nc2ccccc21 ZINC000420356823 395344484 /nfs/dbraw/zinc/34/44/84/395344484.db2.gz GRDJALZKJRSOSK-AWEZNQCLSA-N 2 1 274.412 2.079 20 0 CEADMP C[C@@H]1CN([C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)[N@@H+]1C ZINC000298033224 395351008 /nfs/dbraw/zinc/35/10/08/395351008.db2.gz GGWRGKJHYYYLMC-JZXOWHBKSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)[NH+]1C ZINC000298033224 395351012 /nfs/dbraw/zinc/35/10/12/395351012.db2.gz GGWRGKJHYYYLMC-JZXOWHBKSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH+]1C ZINC000298033224 395351016 /nfs/dbraw/zinc/35/10/16/395351016.db2.gz GGWRGKJHYYYLMC-JZXOWHBKSA-N 2 1 287.451 2.285 20 0 CEADMP COc1ccc(OCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420365284 395351777 /nfs/dbraw/zinc/35/17/77/395351777.db2.gz IYAIYCYMAVHUAM-QGZVFWFLSA-N 2 1 290.407 2.150 20 0 CEADMP COc1ccc(OCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420365284 395351780 /nfs/dbraw/zinc/35/17/80/395351780.db2.gz IYAIYCYMAVHUAM-QGZVFWFLSA-N 2 1 290.407 2.150 20 0 CEADMP COc1ccc(OCCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000193814582 395415728 /nfs/dbraw/zinc/41/57/28/395415728.db2.gz DJFFSLPPCXURGJ-UHFFFAOYSA-N 2 1 292.423 2.490 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000566500469 395531720 /nfs/dbraw/zinc/53/17/20/395531720.db2.gz IXNRECUVKWXHDU-HLLBOEOZSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000566500469 395531723 /nfs/dbraw/zinc/53/17/23/395531723.db2.gz IXNRECUVKWXHDU-HLLBOEOZSA-N 2 1 279.472 2.179 20 0 CEADMP COC[C@]1(C[NH2+][C@H](C)Cc2ccsc2)CCC[NH2+]1 ZINC000565762939 395483418 /nfs/dbraw/zinc/48/34/18/395483418.db2.gz ZAQMNEDOYMEIFZ-TZMCWYRMSA-N 2 1 268.426 2.037 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000565950819 395492786 /nfs/dbraw/zinc/49/27/86/395492786.db2.gz LADUIJVYAMHBIV-NXEZZACHSA-N 2 1 251.399 2.190 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc(C2CC2)s1 ZINC000565950819 395492787 /nfs/dbraw/zinc/49/27/87/395492787.db2.gz LADUIJVYAMHBIV-NXEZZACHSA-N 2 1 251.399 2.190 20 0 CEADMP N[C@@H]1C[C@H]([NH2+]C2[C@@H]3CC[C@H]2CC([NH3+])C3)c2ccccc21 ZINC000566092353 395498493 /nfs/dbraw/zinc/49/84/93/395498493.db2.gz DCUGPDBKIUQJOY-BOELGHKNSA-N 2 1 271.408 2.237 20 0 CEADMP CC1(C)CCC[N@@H+](CCN[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000446840071 395500100 /nfs/dbraw/zinc/50/01/00/395500100.db2.gz XBVIXLHHLJKBLM-HZPDHXFCSA-N 2 1 279.472 2.325 20 0 CEADMP CC1(C)CCC[NH+](CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000446840071 395500102 /nfs/dbraw/zinc/50/01/02/395500102.db2.gz XBVIXLHHLJKBLM-HZPDHXFCSA-N 2 1 279.472 2.325 20 0 CEADMP CC1(C)CCC[NH+](CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000446840071 395500104 /nfs/dbraw/zinc/50/01/04/395500104.db2.gz XBVIXLHHLJKBLM-HZPDHXFCSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC000573126486 395601356 /nfs/dbraw/zinc/60/13/56/395601356.db2.gz SWTVTLXSAZQQLM-GLJUWKHASA-N 3 1 287.451 2.138 20 0 CEADMP C[C@@H]1C[C@H](C)N(Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC000573126486 395601358 /nfs/dbraw/zinc/60/13/58/395601358.db2.gz SWTVTLXSAZQQLM-GLJUWKHASA-N 2 1 287.451 2.138 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451344165 395608070 /nfs/dbraw/zinc/60/80/70/395608070.db2.gz PMJMINUKIVMXNE-QBPKDAKJSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451344165 395608071 /nfs/dbraw/zinc/60/80/71/395608071.db2.gz PMJMINUKIVMXNE-QBPKDAKJSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451344165 395608073 /nfs/dbraw/zinc/60/80/73/395608073.db2.gz PMJMINUKIVMXNE-QBPKDAKJSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000568238907 395552969 /nfs/dbraw/zinc/55/29/69/395552969.db2.gz FSIKXEDBSQNTDL-UHFFFAOYSA-N 2 1 287.407 2.104 20 0 CEADMP [NH3+]C[C@@H]([NH2+][C@H]1CCC12CCOCC2)C1CCCC1 ZINC000568380888 395556841 /nfs/dbraw/zinc/55/68/41/395556841.db2.gz CSAXFFIQJZYLSN-KGLIPLIRSA-N 2 1 252.402 2.053 20 0 CEADMP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cn1 ZINC000568407807 395558535 /nfs/dbraw/zinc/55/85/35/395558535.db2.gz SHSZFBKTAUOABI-HIFRSBDPSA-N 2 1 276.428 2.238 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cn1 ZINC000568407807 395558536 /nfs/dbraw/zinc/55/85/36/395558536.db2.gz SHSZFBKTAUOABI-HIFRSBDPSA-N 2 1 276.428 2.238 20 0 CEADMP CC(C)C[C@@H](C)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568659548 395565628 /nfs/dbraw/zinc/56/56/28/395565628.db2.gz CVPRHJBPMLUUPS-CYBMUJFWSA-N 2 1 250.390 2.214 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CC2(O)CCC2)C1 ZINC000573794448 395618228 /nfs/dbraw/zinc/61/82/28/395618228.db2.gz MSJLZZDZKNTJJV-CQSZACIVSA-N 2 1 254.418 2.003 20 0 CEADMP CCCC[N@H+]1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451534127 395622087 /nfs/dbraw/zinc/62/20/87/395622087.db2.gz MRHYOGMJGFBYCY-KRWDZBQOSA-N 2 1 295.471 2.053 20 0 CEADMP CCCC[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451534127 395622088 /nfs/dbraw/zinc/62/20/88/395622088.db2.gz MRHYOGMJGFBYCY-KRWDZBQOSA-N 2 1 295.471 2.053 20 0 CEADMP CCCC[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451534127 395622090 /nfs/dbraw/zinc/62/20/90/395622090.db2.gz MRHYOGMJGFBYCY-KRWDZBQOSA-N 2 1 295.471 2.053 20 0 CEADMP CCCC[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451534127 395622092 /nfs/dbraw/zinc/62/20/92/395622092.db2.gz MRHYOGMJGFBYCY-KRWDZBQOSA-N 2 1 295.471 2.053 20 0 CEADMP CCCC[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451534127 395622093 /nfs/dbraw/zinc/62/20/93/395622093.db2.gz MRHYOGMJGFBYCY-KRWDZBQOSA-N 2 1 295.471 2.053 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000574096681 395626518 /nfs/dbraw/zinc/62/65/18/395626518.db2.gz DXQYGLBJXMXUSS-KBPBESRZSA-N 2 1 278.396 2.276 20 0 CEADMP c1ncn2c1C[N@@H+](CC1Cc3ccccc3C1)CC2 ZINC000574612647 395633411 /nfs/dbraw/zinc/63/34/11/395633411.db2.gz YZXWQZOTUCVXCE-UHFFFAOYSA-N 2 1 253.349 2.114 20 0 CEADMP c1ncn2c1CN(CC1Cc3ccccc3C1)CC2 ZINC000574612647 395633412 /nfs/dbraw/zinc/63/34/12/395633412.db2.gz YZXWQZOTUCVXCE-UHFFFAOYSA-N 2 1 253.349 2.114 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000574754651 395636704 /nfs/dbraw/zinc/63/67/04/395636704.db2.gz GXNJHNJVGPOZGH-KKUMJFAQSA-N 2 1 298.475 2.066 20 0 CEADMP Cc1cc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)ccc1C[NH+](C)C ZINC000458272608 395640918 /nfs/dbraw/zinc/64/09/18/395640918.db2.gz WJOARRIZAGHKIA-CJNGLKHVSA-N 2 1 289.423 2.193 20 0 CEADMP c1cncc([C@@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000575046825 395644758 /nfs/dbraw/zinc/64/47/58/395644758.db2.gz JCUSUNVFCDMXSH-GOEBONIOSA-N 2 1 259.397 2.261 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000493923250 395678085 /nfs/dbraw/zinc/67/80/85/395678085.db2.gz AEUSLSPEWQISEK-GDBMZVCRSA-N 2 1 274.408 2.312 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCS[C@@H](C)CC1 ZINC000494127335 395679369 /nfs/dbraw/zinc/67/93/69/395679369.db2.gz QJRUXNYEROHZEI-LBPRGKRZSA-N 2 1 253.415 2.409 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCS[C@@H](C)CC1 ZINC000494127335 395679370 /nfs/dbraw/zinc/67/93/70/395679370.db2.gz QJRUXNYEROHZEI-LBPRGKRZSA-N 2 1 253.415 2.409 20 0 CEADMP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000647360533 395709210 /nfs/dbraw/zinc/70/92/10/395709210.db2.gz WCCVPEJJJRPCJL-VJTDZRGJSA-N 2 1 254.443 2.343 20 0 CEADMP c1cc2c(cc1C[N@H+](C1CC1)C1CC[NH2+]CC1)OCCO2 ZINC000647482987 395720486 /nfs/dbraw/zinc/72/04/86/395720486.db2.gz PVHKESFABPKYKP-UHFFFAOYSA-N 2 1 288.391 2.174 20 0 CEADMP c1cc2c(cc1C[N@@H+](C1CC1)C1CC[NH2+]CC1)OCCO2 ZINC000647482987 395720488 /nfs/dbraw/zinc/72/04/88/395720488.db2.gz PVHKESFABPKYKP-UHFFFAOYSA-N 2 1 288.391 2.174 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000647493421 395721213 /nfs/dbraw/zinc/72/12/13/395721213.db2.gz NPSZTMRAOBFCPP-ZDUSSCGKSA-N 2 1 255.365 2.276 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000647493735 395721231 /nfs/dbraw/zinc/72/12/31/395721231.db2.gz ACASTUCKZGYWIX-ZDUSSCGKSA-N 2 1 255.365 2.276 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc(OCCOC)c2)CC[C@H]1[NH3+] ZINC000647498096 395721931 /nfs/dbraw/zinc/72/19/31/395721931.db2.gz ADDMADKJHJTEBC-NVXWUHKLSA-N 2 1 292.423 2.271 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2c(C)cc(OC)nc2C)CC[C@@H]1[NH3+] ZINC000647498797 395722039 /nfs/dbraw/zinc/72/20/39/395722039.db2.gz RDCAHXYQUYISLQ-HIFRSBDPSA-N 2 1 277.412 2.266 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2c(C)cc(OC)nc2C)CC[C@@H]1[NH3+] ZINC000647498797 395722040 /nfs/dbraw/zinc/72/20/40/395722040.db2.gz RDCAHXYQUYISLQ-HIFRSBDPSA-N 2 1 277.412 2.266 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cnc3cccc(C)n23)CC[C@@H]1[NH3+] ZINC000647498466 395722191 /nfs/dbraw/zinc/72/21/91/395722191.db2.gz IAKVEXWTQYOMDL-ZFWWWQNUSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cnc3cccc(C)n23)CC[C@@H]1[NH3+] ZINC000647498466 395722193 /nfs/dbraw/zinc/72/21/93/395722193.db2.gz IAKVEXWTQYOMDL-ZFWWWQNUSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@H]1C[N@H+](Cc2c[nH]nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647499012 395722729 /nfs/dbraw/zinc/72/27/29/395722729.db2.gz WUFYZZONOOBAIW-AAEUAGOBSA-N 2 1 264.417 2.266 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2c[nH]nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647499012 395722730 /nfs/dbraw/zinc/72/27/30/395722730.db2.gz WUFYZZONOOBAIW-AAEUAGOBSA-N 2 1 264.417 2.266 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)CC(C)(C)C[NH3+])o1 ZINC000647505350 395723099 /nfs/dbraw/zinc/72/30/99/395723099.db2.gz SNVNIXLXMPXWSR-UHFFFAOYSA-N 2 1 290.411 2.405 20 0 CEADMP FC(F)(F)CO[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000647514055 395724889 /nfs/dbraw/zinc/72/48/89/395724889.db2.gz FBVMWJAUYUAKOL-NEPJUHHUSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)CO[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000647514055 395724892 /nfs/dbraw/zinc/72/48/92/395724892.db2.gz FBVMWJAUYUAKOL-NEPJUHHUSA-N 2 1 280.334 2.029 20 0 CEADMP c1ccc2c(c1)ccnc2C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000647542468 395731003 /nfs/dbraw/zinc/73/10/03/395731003.db2.gz SAARYDDOPKNABW-ZBFHGGJFSA-N 2 1 267.376 2.419 20 0 CEADMP c1ccc2c(c1)ccnc2C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000647542468 395731005 /nfs/dbraw/zinc/73/10/05/395731005.db2.gz SAARYDDOPKNABW-ZBFHGGJFSA-N 2 1 267.376 2.419 20 0 CEADMP c1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543355 395731050 /nfs/dbraw/zinc/73/10/50/395731050.db2.gz LQRWPBIPBLSCHE-QWHCGFSZSA-N 2 1 265.426 2.355 20 0 CEADMP CCc1nn(C)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543212 395731100 /nfs/dbraw/zinc/73/11/00/395731100.db2.gz JMGHHRIEILXAQH-LSDHHAIUSA-N 2 1 290.455 2.194 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1)c1cccnc1 ZINC000647549690 395733129 /nfs/dbraw/zinc/73/31/29/395733129.db2.gz NGOYBMJGDVRTNW-IMJJTQAJSA-N 2 1 261.413 2.409 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000647550555 395733618 /nfs/dbraw/zinc/73/36/18/395733618.db2.gz XWFAASGOCOPCCZ-DOTOQJQBSA-N 3 1 281.488 2.332 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc2c(s1)CCCC2 ZINC000647552273 395734128 /nfs/dbraw/zinc/73/41/28/395734128.db2.gz OPHFQZKGFCKVFY-VHSXEESVSA-N 2 1 253.415 2.237 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC([C@H]4CC[NH2+]C4)CC3)c2c1C ZINC000647708566 395747420 /nfs/dbraw/zinc/74/74/20/395747420.db2.gz QFPKMXCAUJKCED-AWEZNQCLSA-N 2 1 299.422 2.401 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798173 395756922 /nfs/dbraw/zinc/75/69/22/395756922.db2.gz MTNRTAAGVGQQPP-ZJIFWQFVSA-N 3 1 267.461 2.085 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798173 395756923 /nfs/dbraw/zinc/75/69/23/395756923.db2.gz MTNRTAAGVGQQPP-ZJIFWQFVSA-N 3 1 267.461 2.085 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647936833 395779598 /nfs/dbraw/zinc/77/95/98/395779598.db2.gz MARVSJCTYZCBLN-DGCLKSJQSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647936833 395779600 /nfs/dbraw/zinc/77/96/00/395779600.db2.gz MARVSJCTYZCBLN-DGCLKSJQSA-N 2 1 251.374 2.105 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000647940242 395781181 /nfs/dbraw/zinc/78/11/81/395781181.db2.gz QKRKKLTZUKXRFV-IMJJTQAJSA-N 2 1 295.471 2.131 20 0 CEADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000647940242 395781186 /nfs/dbraw/zinc/78/11/86/395781186.db2.gz QKRKKLTZUKXRFV-IMJJTQAJSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC[C@H]2CCC[C@@H](C)C2)CCO1 ZINC000647865263 395765369 /nfs/dbraw/zinc/76/53/69/395765369.db2.gz DWUYLXGBSISBTL-KBUPBQIOSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC[C@H]2CCC[C@@H](C)C2)CCO1 ZINC000647865263 395765370 /nfs/dbraw/zinc/76/53/70/395765370.db2.gz DWUYLXGBSISBTL-KBUPBQIOSA-N 2 1 254.418 2.251 20 0 CEADMP COc1ccc(OC)c(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000647876428 395767497 /nfs/dbraw/zinc/76/74/97/395767497.db2.gz ZEVXVHRBGRNRMJ-CYBMUJFWSA-N 2 1 290.407 2.278 20 0 CEADMP COc1ccc(OC)c(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000647876428 395767498 /nfs/dbraw/zinc/76/74/98/395767498.db2.gz ZEVXVHRBGRNRMJ-CYBMUJFWSA-N 2 1 290.407 2.278 20 0 CEADMP Fc1ccc(C[C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647885960 395769142 /nfs/dbraw/zinc/76/91/42/395769142.db2.gz VMFJZXHQFLVLMA-CABCVRRESA-N 2 1 262.372 2.300 20 0 CEADMP c1cc([C@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc2c1OCO2 ZINC000647884455 395769460 /nfs/dbraw/zinc/76/94/60/395769460.db2.gz RNZZIUYKNYKCQZ-TZMCWYRMSA-N 2 1 274.364 2.162 20 0 CEADMP CC[C@@H]1C[N@H+](CC(=O)N(C(C)C)C2CCCC2)CC[C@@H]1[NH3+] ZINC000647936875 395779215 /nfs/dbraw/zinc/77/92/15/395779215.db2.gz MQDCPYIOPBFTJD-ZBFHGGJFSA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C2CCCC2)CC[C@@H]1[NH3+] ZINC000647936875 395779219 /nfs/dbraw/zinc/77/92/19/395779219.db2.gz MQDCPYIOPBFTJD-ZBFHGGJFSA-N 2 1 295.471 2.225 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000647970854 395792061 /nfs/dbraw/zinc/79/20/61/395792061.db2.gz IWWUWPRXCWKZPU-YQQAZPJKSA-N 2 1 278.440 2.469 20 0 CEADMP Cc1noc(CCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977833 395794549 /nfs/dbraw/zinc/79/45/49/395794549.db2.gz IMMXJJJAMYTPLL-GJZGRUSLSA-N 2 1 292.427 2.022 20 0 CEADMP C(c1noc2c1CCCC2)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647986891 395795982 /nfs/dbraw/zinc/79/59/82/395795982.db2.gz JSTMGUSYLZXWFP-ZIAGYGMSSA-N 2 1 289.423 2.375 20 0 CEADMP C[C@H](c1ccsc1)[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647990024 395796444 /nfs/dbraw/zinc/79/64/44/395796444.db2.gz ROQLAICPRCQWSU-ZIAGYGMSSA-N 2 1 279.453 2.036 20 0 CEADMP C[C@H](c1ccncc1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000649418494 396148974 /nfs/dbraw/zinc/14/89/74/396148974.db2.gz FRSJKBDLLAZCFL-KBMXLJTQSA-N 2 1 259.397 2.464 20 0 CEADMP CC[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)[C@@H](C)CO1 ZINC000649734760 396245500 /nfs/dbraw/zinc/24/55/00/396245500.db2.gz AGHWBMXXTXXMPI-DZGCQCFKSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)[C@@H](C)CO1 ZINC000649734760 396245501 /nfs/dbraw/zinc/24/55/01/396245501.db2.gz AGHWBMXXTXXMPI-DZGCQCFKSA-N 2 1 265.401 2.471 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](CCc1ccccc1)CCO2 ZINC000646103412 396294029 /nfs/dbraw/zinc/29/40/29/396294029.db2.gz RIAXJRMTOXAGGE-UHFFFAOYSA-N 2 1 274.408 2.026 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000647249301 396450248 /nfs/dbraw/zinc/45/02/48/396450248.db2.gz QDWHSAWESCYQAI-RANZSIQMSA-N 2 1 288.435 2.489 20 0 CEADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC2CCC(C)(C)CC2)CCO1 ZINC000386239792 400525203 /nfs/dbraw/zinc/52/52/03/400525203.db2.gz QYMPITSNMKFRGW-TZMCWYRMSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC2CCC(C)(C)CC2)CCO1 ZINC000386239792 400525208 /nfs/dbraw/zinc/52/52/08/400525208.db2.gz QYMPITSNMKFRGW-TZMCWYRMSA-N 2 1 254.418 2.251 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000394445537 400548971 /nfs/dbraw/zinc/54/89/71/400548971.db2.gz VDNJERPHUDUNIJ-ZWKOTPCHSA-N 2 1 298.434 2.491 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000394445537 400548973 /nfs/dbraw/zinc/54/89/73/400548973.db2.gz VDNJERPHUDUNIJ-ZWKOTPCHSA-N 2 1 298.434 2.491 20 0 CEADMP CC[C@H]1CCC[C@H](C[N@@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000394578120 400550317 /nfs/dbraw/zinc/55/03/17/400550317.db2.gz TVJAKSNXAUQAQZ-HOTGVXAUSA-N 2 1 267.461 2.040 20 0 CEADMP c1cc2c(c(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c1)CCC2 ZINC000650703478 400996060 /nfs/dbraw/zinc/99/60/60/400996060.db2.gz BEKKCHHHBGXUSY-RDJZCZTQSA-N 2 1 256.393 2.359 20 0 CEADMP c1cc2c(c(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c1)CCC2 ZINC000650703476 400996959 /nfs/dbraw/zinc/99/69/59/400996959.db2.gz BEKKCHHHBGXUSY-DOTOQJQBSA-N 2 1 256.393 2.359 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)C1 ZINC000650705239 400998590 /nfs/dbraw/zinc/99/85/90/400998590.db2.gz AEYXNELJSPYYPB-BFYDXBDKSA-N 2 1 290.407 2.111 20 0 CEADMP CC[N@@H+](CCCNC1CC[NH2+]CC1)C1CCCCC1 ZINC000650710628 401000498 /nfs/dbraw/zinc/00/04/98/401000498.db2.gz UQRRHJWWNGAIJS-UHFFFAOYSA-N 2 1 267.461 2.373 20 0 CEADMP [NH3+]CC1(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000650713879 401004366 /nfs/dbraw/zinc/00/43/66/401004366.db2.gz HNPWCTHZUURAED-JKSUJKDBSA-N 3 1 273.424 2.198 20 0 CEADMP c1ccc2c(c1)CC[C@H](CCN[C@@H]1CCC[NH2+]C1)N2 ZINC000650720975 401010536 /nfs/dbraw/zinc/01/05/36/401010536.db2.gz KDUTURLODYFVGE-HUUCEWRRSA-N 2 1 259.397 2.145 20 0 CEADMP c1ccc2c(c1)CC[C@H](CC[NH2+][C@@H]1CCC[NH2+]C1)N2 ZINC000650720975 401010538 /nfs/dbraw/zinc/01/05/38/401010538.db2.gz KDUTURLODYFVGE-HUUCEWRRSA-N 2 1 259.397 2.145 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@@H]2CCSC2)C1 ZINC000650723052 401012198 /nfs/dbraw/zinc/01/21/98/401012198.db2.gz GXNBMWPCNNKSIM-XGUBFFRZSA-N 2 1 284.469 2.100 20 0 CEADMP [NH3+]Cc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000650754110 401030730 /nfs/dbraw/zinc/03/07/30/401030730.db2.gz BIPZQTUJMZEIHS-LSDHHAIUSA-N 2 1 277.387 2.001 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCCO[C@H]2CC(C)C)CC1 ZINC000360044208 155199014 /nfs/dbraw/zinc/19/90/14/155199014.db2.gz CEIPKHGCRMQJDN-IRXDYDNUSA-N 2 1 298.471 2.281 20 0 CEADMP CO[C@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000374662877 286041815 /nfs/dbraw/zinc/04/18/15/286041815.db2.gz OITCGIKBLVSUQJ-IRXDYDNUSA-N 2 1 298.471 2.378 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000651327523 401313741 /nfs/dbraw/zinc/31/37/41/401313741.db2.gz UOYQRCBWBDNUGT-MRXNPFEDSA-N 2 1 269.392 2.500 20 0 CEADMP CCc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c2ccccc2[nH+]1 ZINC000651450556 401339153 /nfs/dbraw/zinc/33/91/53/401339153.db2.gz BVXVYALHJPSPBS-OAHLLOKOSA-N 2 1 297.402 2.052 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cn2cccc(F)c2n1)C1CC1 ZINC000651599768 401359528 /nfs/dbraw/zinc/35/95/28/401359528.db2.gz RELOKHXVFDELDM-UHFFFAOYSA-N 2 1 290.386 2.437 20 0 CEADMP CC[N@@H+](CCC[NH2+][C@H]1CCOC1)C1CCCCC1 ZINC000651910265 401414226 /nfs/dbraw/zinc/41/42/26/401414226.db2.gz NGBAJGQSKUZJLE-AWEZNQCLSA-N 2 1 254.418 2.410 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000651865265 401406140 /nfs/dbraw/zinc/40/61/40/401406140.db2.gz SCTMLMYUCZHCKZ-HUUCEWRRSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C2CCOCC2)CC[N@@H+]1C ZINC000652247817 401472922 /nfs/dbraw/zinc/47/29/22/401472922.db2.gz RZIXOTUWVPNUEV-DAXOMENPSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C2CCOCC2)CC[N@H+]1C ZINC000652247817 401472924 /nfs/dbraw/zinc/47/29/24/401472924.db2.gz RZIXOTUWVPNUEV-DAXOMENPSA-N 2 1 266.429 2.264 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H](NCC[NH+](C)C(C)C)[C@H](C)C1 ZINC000155753381 286059199 /nfs/dbraw/zinc/05/91/99/286059199.db2.gz LAAIHQOGWCVRCS-IAGOWNOFSA-N 2 1 299.503 2.053 20 0 CEADMP CCOCCC[NH+]1CC[C@@H](NCC[N@H+](C)C(C)C)[C@H](C)C1 ZINC000155753381 286059203 /nfs/dbraw/zinc/05/92/03/286059203.db2.gz LAAIHQOGWCVRCS-IAGOWNOFSA-N 2 1 299.503 2.053 20 0 CEADMP CCOCCC[NH+]1CC[C@@H](NCC[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000155753381 286059206 /nfs/dbraw/zinc/05/92/06/286059206.db2.gz LAAIHQOGWCVRCS-IAGOWNOFSA-N 2 1 299.503 2.053 20 0 CEADMP COCC(C)(C)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354167342 292194615 /nfs/dbraw/zinc/19/46/15/292194615.db2.gz PPPMQKXPLKOQMZ-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP COCC(C)(C)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000354167342 292194617 /nfs/dbraw/zinc/19/46/17/292194617.db2.gz PPPMQKXPLKOQMZ-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP COCC(C)(C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000354167342 292194619 /nfs/dbraw/zinc/19/46/19/292194619.db2.gz PPPMQKXPLKOQMZ-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000652338546 401489786 /nfs/dbraw/zinc/48/97/86/401489786.db2.gz VFESYHZVFAPYJV-ROUUACIJSA-N 2 1 290.451 2.302 20 0 CEADMP C[C@@H]1CCC[N@H+](CC(=O)NCC2CCCCC2)[C@H]1CC[NH3+] ZINC000652353614 401492269 /nfs/dbraw/zinc/49/22/69/401492269.db2.gz UZLCYYJDCFDLJB-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)NCC2CCCCC2)[C@H]1CC[NH3+] ZINC000652353614 401492274 /nfs/dbraw/zinc/49/22/74/401492274.db2.gz UZLCYYJDCFDLJB-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC2CCC2)C1 ZINC000652361912 401494454 /nfs/dbraw/zinc/49/44/54/401494454.db2.gz SHMJNVSJALDDRM-RBSFLKMASA-N 2 1 252.402 2.147 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](CCO)c2ccccc2)CC1 ZINC000360240137 155248463 /nfs/dbraw/zinc/24/84/63/155248463.db2.gz STWZDQIQVICWGR-MRXNPFEDSA-N 2 1 262.397 2.184 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000311154717 289278961 /nfs/dbraw/zinc/27/89/61/289278961.db2.gz OBVXKBOPHODARN-AWEZNQCLSA-N 2 1 256.434 2.057 20 0 CEADMP COc1cc2c(cc1OC)C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000019488123 286259089 /nfs/dbraw/zinc/25/90/89/286259089.db2.gz NKEXSMRDYKSMQT-ZDUSSCGKSA-N 2 1 290.407 2.062 20 0 CEADMP COc1cc2c(cc1OC)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000019488123 286259090 /nfs/dbraw/zinc/25/90/90/286259090.db2.gz NKEXSMRDYKSMQT-ZDUSSCGKSA-N 2 1 290.407 2.062 20 0 CEADMP COCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCC1 ZINC000336794677 292248365 /nfs/dbraw/zinc/24/83/65/292248365.db2.gz DVFTZWMKOXEVKJ-MGPQQGTHSA-N 2 1 254.418 2.121 20 0 CEADMP Cn1nccc1CN1C[C@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000360790103 155371979 /nfs/dbraw/zinc/37/19/79/155371979.db2.gz ARPXZETUGPDNGI-KBAYOESNSA-N 2 1 296.418 2.155 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]CC3=CCCOC3)C2)cc1 ZINC000192919856 153225079 /nfs/dbraw/zinc/22/50/79/153225079.db2.gz XMAHJEWFLWECSW-KRWDZBQOSA-N 2 1 286.419 2.445 20 0 CEADMP Cc1cccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000193027342 153225923 /nfs/dbraw/zinc/22/59/23/153225923.db2.gz WCQKIPSYNIIOFY-HMQMGEFJSA-N 2 1 274.408 2.243 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000221878551 153311210 /nfs/dbraw/zinc/31/12/10/153311210.db2.gz MBASNFKEGLIVIZ-HZMBPMFUSA-N 2 1 254.324 2.395 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000221878551 153311213 /nfs/dbraw/zinc/31/12/13/153311213.db2.gz MBASNFKEGLIVIZ-HZMBPMFUSA-N 2 1 254.324 2.395 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000227297535 153342260 /nfs/dbraw/zinc/34/22/60/153342260.db2.gz SQSMJTFERVECPJ-DJIMGWMZSA-N 2 1 275.440 2.362 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cccnc1 ZINC000230000628 153381724 /nfs/dbraw/zinc/38/17/24/153381724.db2.gz BQAMXFOZUAWUAQ-UHFFFAOYSA-N 2 1 255.365 2.433 20 0 CEADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cccnc1 ZINC000230000628 153381727 /nfs/dbraw/zinc/38/17/27/153381727.db2.gz BQAMXFOZUAWUAQ-UHFFFAOYSA-N 2 1 255.365 2.433 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCC2CC[NH2+]CC2)C[C@@H]1C ZINC000262972053 154003045 /nfs/dbraw/zinc/00/30/45/154003045.db2.gz LWYJWZQGKYGILI-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)(C)n1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000346814827 154297732 /nfs/dbraw/zinc/29/77/32/154297732.db2.gz CQKMQMZFWFKTOX-SOUVJXGZSA-N 2 1 276.428 2.197 20 0 CEADMP COc1ccc([C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000346816388 154299868 /nfs/dbraw/zinc/29/98/68/154299868.db2.gz ARRHMCMJCPJALT-ZBFHGGJFSA-N 2 1 274.408 2.484 20 0 CEADMP COCCCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000347086354 154300353 /nfs/dbraw/zinc/30/03/53/154300353.db2.gz DUVDEFUQWXMRHI-RHSMWYFYSA-N 2 1 292.423 2.271 20 0 CEADMP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000346816456 154300509 /nfs/dbraw/zinc/30/05/09/154300509.db2.gz SZEANEAIMALIMH-RBSFLKMASA-N 2 1 280.412 2.300 20 0 CEADMP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000346816456 154300514 /nfs/dbraw/zinc/30/05/14/154300514.db2.gz SZEANEAIMALIMH-RBSFLKMASA-N 2 1 280.412 2.300 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cnn(C)c1C ZINC000352788043 154340506 /nfs/dbraw/zinc/34/05/06/154340506.db2.gz INHPLQDRDWSQER-GFCCVEGCSA-N 2 1 275.400 2.364 20 0 CEADMP C[NH+]1CCC(CCNC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000352789873 154341772 /nfs/dbraw/zinc/34/17/72/154341772.db2.gz GGGIXAASMSLVSE-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CCC1CCC([N@@H+](CCOCC[NH3+])C2CC2)CC1 ZINC000357084597 154377149 /nfs/dbraw/zinc/37/71/49/154377149.db2.gz RSQDNUUARTVEIK-UHFFFAOYSA-N 2 1 254.418 2.395 20 0 CEADMP COc1ccc2oc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000359454576 155020331 /nfs/dbraw/zinc/02/03/31/155020331.db2.gz BRPINOAZBKZTCE-STQMWFEESA-N 2 1 272.348 2.093 20 0 CEADMP COc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC(C)C ZINC000359472260 155024962 /nfs/dbraw/zinc/02/49/62/155024962.db2.gz KSPUZNNNKRZFFP-HUUCEWRRSA-N 2 1 290.407 2.134 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)c1cccc(F)c1 ZINC000359527834 155043932 /nfs/dbraw/zinc/04/39/32/155043932.db2.gz ABTDRWADHDSQJK-MRXNPFEDSA-N 2 1 291.370 2.434 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000359687678 155112731 /nfs/dbraw/zinc/11/27/31/155112731.db2.gz QIOCPZDNALJGCR-RHSMWYFYSA-N 3 1 275.440 2.178 20 0 CEADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000359687678 155112740 /nfs/dbraw/zinc/11/27/40/155112740.db2.gz QIOCPZDNALJGCR-RHSMWYFYSA-N 2 1 275.440 2.178 20 0 CEADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccsc1Cl ZINC000359738584 155124640 /nfs/dbraw/zinc/12/46/40/155124640.db2.gz ZAVBUJFGGNWVAP-LLVKDONJSA-N 2 1 287.860 2.127 20 0 CEADMP COC1(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)CCCC1 ZINC000359750105 155126278 /nfs/dbraw/zinc/12/62/78/155126278.db2.gz SSTXUZWURJXMQO-UHFFFAOYSA-N 2 1 298.471 2.425 20 0 CEADMP CCOCC[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000364036735 156063489 /nfs/dbraw/zinc/06/34/89/156063489.db2.gz TUSPVXDYCRNBBD-UHFFFAOYSA-N 2 1 291.439 2.057 20 0 CEADMP CCOCC[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000364036735 156063492 /nfs/dbraw/zinc/06/34/92/156063492.db2.gz TUSPVXDYCRNBBD-UHFFFAOYSA-N 2 1 291.439 2.057 20 0 CEADMP Cn1cccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366955521 156107346 /nfs/dbraw/zinc/10/73/46/156107346.db2.gz REAZFDSEQAUWOM-UHFFFAOYSA-N 2 1 261.413 2.333 20 0 CEADMP COC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367139810 156138668 /nfs/dbraw/zinc/13/86/68/156138668.db2.gz LPXUFQOSWUAJPD-OAHLLOKOSA-N 2 1 282.428 2.138 20 0 CEADMP COC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367139810 156138673 /nfs/dbraw/zinc/13/86/73/156138673.db2.gz LPXUFQOSWUAJPD-OAHLLOKOSA-N 2 1 282.428 2.138 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCn1cccn1)CC2)C1CC1 ZINC000367308886 156165323 /nfs/dbraw/zinc/16/53/23/156165323.db2.gz FUAOLUCSQSWWNB-HNNXBMFYSA-N 2 1 288.439 2.079 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccn1 ZINC000367539197 156202694 /nfs/dbraw/zinc/20/26/94/156202694.db2.gz XLUIDCDOULNNKH-RRFJBIMHSA-N 2 1 275.396 2.053 20 0 CEADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000367593595 156210159 /nfs/dbraw/zinc/21/01/59/156210159.db2.gz HWOSJLWPKFGMFX-BBWFWOEESA-N 2 1 273.424 2.395 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccsc2)[C@H]2CCC[C@H]21 ZINC000367611623 156213608 /nfs/dbraw/zinc/21/36/08/156213608.db2.gz CIVSJMYXVHIPJF-BARDWOONSA-N 2 1 280.437 2.244 20 0 CEADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367613942 156219432 /nfs/dbraw/zinc/21/94/32/156219432.db2.gz GLTDVPXKEGYSQR-RRFJBIMHSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCCCn3cccn3)C2)C1 ZINC000367846551 156244408 /nfs/dbraw/zinc/24/44/08/156244408.db2.gz MVXNFGMOIYXIPX-MRXNPFEDSA-N 2 1 276.428 2.081 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCCCn3cccn3)C2)C1 ZINC000367846551 156244409 /nfs/dbraw/zinc/24/44/09/156244409.db2.gz MVXNFGMOIYXIPX-MRXNPFEDSA-N 2 1 276.428 2.081 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCCCn3cccn3)C2)C1 ZINC000367846551 156244411 /nfs/dbraw/zinc/24/44/11/156244411.db2.gz MVXNFGMOIYXIPX-MRXNPFEDSA-N 2 1 276.428 2.081 20 0 CEADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000368608491 156379058 /nfs/dbraw/zinc/37/90/58/156379058.db2.gz PGCNJLNMNGAVBC-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)SCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374910968 157029988 /nfs/dbraw/zinc/02/99/88/157029988.db2.gz KTZWUAMWVQWRGF-JKSUJKDBSA-N 2 1 299.528 2.086 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(OC2CCOCC2)CC1 ZINC000375438982 157098239 /nfs/dbraw/zinc/09/82/39/157098239.db2.gz UHSGCESPTGTNQJ-UHFFFAOYSA-N 2 1 298.471 2.378 20 0 CEADMP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CCCCn1cc[nH+]c1C ZINC000375743128 157137872 /nfs/dbraw/zinc/13/78/72/157137872.db2.gz NLBRTXLHCCIWEY-DMRKSPOLSA-N 2 1 289.423 2.327 20 0 CEADMP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CCCCn1cc[nH+]c1C ZINC000375743128 157137875 /nfs/dbraw/zinc/13/78/75/157137875.db2.gz NLBRTXLHCCIWEY-DMRKSPOLSA-N 2 1 289.423 2.327 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)CC2CCCC2)CC1 ZINC000376097575 157186320 /nfs/dbraw/zinc/18/63/20/157186320.db2.gz SRPGLOFDSFOCNZ-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000164858811 162337903 /nfs/dbraw/zinc/33/79/03/162337903.db2.gz VYGKNUDGAZKUFY-OAGGEKHMSA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000164858811 162337914 /nfs/dbraw/zinc/33/79/14/162337914.db2.gz VYGKNUDGAZKUFY-OAGGEKHMSA-N 2 1 267.461 2.323 20 0 CEADMP CCn1cc([C@@H](C)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cn1 ZINC000166290807 162347836 /nfs/dbraw/zinc/34/78/36/162347836.db2.gz HQCRYBBBJOXMNO-SCRDCRAPSA-N 2 1 262.401 2.179 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000168641177 162369739 /nfs/dbraw/zinc/36/97/39/162369739.db2.gz QILNTDJMVLTCKG-HUUCEWRRSA-N 2 1 289.423 2.097 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000168641177 162369740 /nfs/dbraw/zinc/36/97/40/162369740.db2.gz QILNTDJMVLTCKG-HUUCEWRRSA-N 2 1 289.423 2.097 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(=O)[nH]n1 ZINC000353459083 287022389 /nfs/dbraw/zinc/02/23/89/287022389.db2.gz GLSIUKFVRKYYST-ZIAGYGMSSA-N 2 1 292.427 2.345 20 0 CEADMP C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000152382388 298655382 /nfs/dbraw/zinc/65/53/82/298655382.db2.gz GXGIXHGJNXLYKD-ARKGTOAJSA-N 2 1 268.445 2.367 20 0 CEADMP COc1ccc(OC)c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000177955509 165216910 /nfs/dbraw/zinc/21/69/10/165216910.db2.gz GYKAKAOSDPKCBG-UKRRQHHQSA-N 2 1 292.423 2.319 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1C ZINC000179631293 165287500 /nfs/dbraw/zinc/28/75/00/165287500.db2.gz NFANTMHIMJVVLR-HNNXBMFYSA-N 2 1 278.444 2.293 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1C ZINC000179631293 165287505 /nfs/dbraw/zinc/28/75/05/165287505.db2.gz NFANTMHIMJVVLR-HNNXBMFYSA-N 2 1 278.444 2.293 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)C1 ZINC000182554705 165375397 /nfs/dbraw/zinc/37/53/97/165375397.db2.gz LBBWKKRPCICOEH-QWHCGFSZSA-N 2 1 270.417 2.038 20 0 CEADMP Cc1ccc([C@H]2C[N@H+](CCCn3ccnc3)CCO2)o1 ZINC000183064007 165384137 /nfs/dbraw/zinc/38/41/37/165384137.db2.gz KLRVPEMPOCEAGB-OAHLLOKOSA-N 2 1 275.352 2.248 20 0 CEADMP Cc1ccc([C@H]2C[N@@H+](CCCn3ccnc3)CCO2)o1 ZINC000183064007 165384140 /nfs/dbraw/zinc/38/41/40/165384140.db2.gz KLRVPEMPOCEAGB-OAHLLOKOSA-N 2 1 275.352 2.248 20 0 CEADMP CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCC1 ZINC000020524049 171236703 /nfs/dbraw/zinc/23/67/03/171236703.db2.gz YQUUOCATXRPDSV-NPYXIHBLSA-N 2 1 279.472 2.322 20 0 CEADMP COCc1cc([C@H](C)[NH2+]CCC[NH+](C)C)ccc1OC ZINC000035660663 172338181 /nfs/dbraw/zinc/33/81/81/172338181.db2.gz KJLSLZZGWWQVQT-ZDUSSCGKSA-N 2 1 280.412 2.444 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1-n1ccnn1 ZINC000285456594 196289526 /nfs/dbraw/zinc/28/95/26/196289526.db2.gz ABZQZCNIRXDMED-ZDUSSCGKSA-N 2 1 285.395 2.012 20 0 CEADMP COC(=O)[C@H](CC(C)C)[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000285588150 196335008 /nfs/dbraw/zinc/33/50/08/196335008.db2.gz KQMGAIFAGSUGTC-KKUMJFAQSA-N 2 1 293.411 2.354 20 0 CEADMP COC(=O)[C@H](CC(C)C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000285588150 196335010 /nfs/dbraw/zinc/33/50/10/196335010.db2.gz KQMGAIFAGSUGTC-KKUMJFAQSA-N 2 1 293.411 2.354 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000347061145 287283175 /nfs/dbraw/zinc/28/31/75/287283175.db2.gz YMRKYAIUTDJDEQ-LJISPDSOSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000347061145 287283177 /nfs/dbraw/zinc/28/31/77/287283177.db2.gz YMRKYAIUTDJDEQ-LJISPDSOSA-N 2 1 252.402 2.018 20 0 CEADMP COc1ccc(OC)c([C@H](C)[NH2+]C2CC[NH2+]CC2)c1 ZINC000038041186 174042318 /nfs/dbraw/zinc/04/23/18/174042318.db2.gz MOBQCDKVELWLKD-NSHDSACASA-N 2 1 264.369 2.106 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746491 174391295 /nfs/dbraw/zinc/39/12/95/174391295.db2.gz VZPLVUOJSFVXAR-YIONKMFJSA-N 2 1 288.391 2.173 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746491 174391296 /nfs/dbraw/zinc/39/12/96/174391296.db2.gz VZPLVUOJSFVXAR-YIONKMFJSA-N 2 1 288.391 2.173 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662834397 414766838 /nfs/dbraw/zinc/76/68/38/414766838.db2.gz GLKWRZRWBLGTGH-RRFJBIMHSA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H]1CCCCO1 ZINC000653873972 414767568 /nfs/dbraw/zinc/76/75/68/414767568.db2.gz YXSBWZUJZDOZJN-CABCVRRESA-N 2 1 265.401 2.290 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000070356994 414772336 /nfs/dbraw/zinc/77/23/36/414772336.db2.gz TYBUOOYESDLZPQ-KCQAQPDRSA-N 2 1 252.402 2.018 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000653892153 414776441 /nfs/dbraw/zinc/77/64/41/414776441.db2.gz BIDVQGHVPJRVMW-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000653892153 414776444 /nfs/dbraw/zinc/77/64/44/414776444.db2.gz BIDVQGHVPJRVMW-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2)[C@H]1CC[NH3+] ZINC000404301570 414778187 /nfs/dbraw/zinc/77/81/87/414778187.db2.gz GIOOAMCLKDCPGJ-HIFRSBDPSA-N 2 1 275.396 2.074 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2)[C@H]1CC[NH3+] ZINC000404301570 414778190 /nfs/dbraw/zinc/77/81/90/414778190.db2.gz GIOOAMCLKDCPGJ-HIFRSBDPSA-N 2 1 275.396 2.074 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCOCC(F)(F)F)[C@H]1CC[NH3+] ZINC000404355141 414780359 /nfs/dbraw/zinc/78/03/59/414780359.db2.gz ZAEOZEBKLYVYAI-MNOVXSKESA-N 2 1 268.323 2.015 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404403978 414783599 /nfs/dbraw/zinc/78/35/99/414783599.db2.gz TUQLCBLAYCKZCE-ZBFHGGJFSA-N 2 1 289.423 2.383 20 0 CEADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404403978 414783602 /nfs/dbraw/zinc/78/36/02/414783602.db2.gz TUQLCBLAYCKZCE-ZBFHGGJFSA-N 2 1 289.423 2.383 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000312347950 414864639 /nfs/dbraw/zinc/86/46/39/414864639.db2.gz HPCUZKWILPFAKV-HNNXBMFYSA-N 2 1 293.842 2.128 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccc(OC)c(F)c2)CC[C@@H]1[NH3+] ZINC000134105264 414830729 /nfs/dbraw/zinc/83/07/29/414830729.db2.gz SGEFHBQGTUXGNU-JSGCOSHPSA-N 2 1 266.360 2.394 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)CC[C@@H]1[NH3+] ZINC000134105264 414830735 /nfs/dbraw/zinc/83/07/35/414830735.db2.gz SGEFHBQGTUXGNU-JSGCOSHPSA-N 2 1 266.360 2.394 20 0 CEADMP Cc1c[nH]c(CNCCC[N@H+](C)C2CCCCC2)n1 ZINC000657299257 414843568 /nfs/dbraw/zinc/84/35/68/414843568.db2.gz UJBCYFNPTYTBKA-UHFFFAOYSA-N 2 1 264.417 2.462 20 0 CEADMP COc1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311470013 414860827 /nfs/dbraw/zinc/86/08/27/414860827.db2.gz OGDKRICXTZURJN-HOCLYGCPSA-N 2 1 260.381 2.256 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)[C@H](C)O1 ZINC000663344119 414920706 /nfs/dbraw/zinc/92/07/06/414920706.db2.gz OMELPFWMYUOJGD-CLWVCHIJSA-N 2 1 266.429 2.264 20 0 CEADMP COCc1csc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000657423982 414927371 /nfs/dbraw/zinc/92/73/71/414927371.db2.gz QOEPTBKXVXDFOW-UHFFFAOYSA-N 2 1 254.399 2.080 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000653176312 414937020 /nfs/dbraw/zinc/93/70/20/414937020.db2.gz PVKPZVQSLIZIGK-HZPDHXFCSA-N 2 1 297.487 2.378 20 0 CEADMP c1ccc(C2CC2)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000314081972 414869984 /nfs/dbraw/zinc/86/99/84/414869984.db2.gz GLLKOHKRFNOYIJ-KRWDZBQOSA-N 2 1 285.435 2.044 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)CC[NH2+]C1 ZINC000663501114 414974336 /nfs/dbraw/zinc/97/43/36/414974336.db2.gz SEQYAOJQPJQGFO-HZPDHXFCSA-N 2 1 260.381 2.139 20 0 CEADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C)C[NH2+]C ZINC000663514390 414979359 /nfs/dbraw/zinc/97/93/59/414979359.db2.gz QWAXTUGBYDYSNM-GXTWGEPZSA-N 2 1 280.412 2.222 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000657526257 414989033 /nfs/dbraw/zinc/98/90/33/414989033.db2.gz FEBOYGFGHJXQQG-QLFBSQMISA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657526257 414989035 /nfs/dbraw/zinc/98/90/35/414989035.db2.gz FEBOYGFGHJXQQG-QLFBSQMISA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657526257 414989039 /nfs/dbraw/zinc/98/90/39/414989039.db2.gz FEBOYGFGHJXQQG-QLFBSQMISA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)N1CC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657526257 414989043 /nfs/dbraw/zinc/98/90/43/414989043.db2.gz FEBOYGFGHJXQQG-QLFBSQMISA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)N1CC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657526257 414989047 /nfs/dbraw/zinc/98/90/47/414989047.db2.gz FEBOYGFGHJXQQG-QLFBSQMISA-N 2 1 265.445 2.076 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@H](C)C[NH2+]C)C1CCCCC1 ZINC000653200460 414945543 /nfs/dbraw/zinc/94/55/43/414945543.db2.gz FNVLKCJOGABIDU-CQSZACIVSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccnn1C ZINC000663466092 414962637 /nfs/dbraw/zinc/96/26/37/414962637.db2.gz NZUCDEKZQMZPNE-DZGCQCFKSA-N 2 1 276.428 2.193 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccnn1C ZINC000663466092 414962641 /nfs/dbraw/zinc/96/26/41/414962641.db2.gz NZUCDEKZQMZPNE-DZGCQCFKSA-N 2 1 276.428 2.193 20 0 CEADMP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466145 414964228 /nfs/dbraw/zinc/96/42/28/414964228.db2.gz ONZAAIRLSKACON-ZBFHGGJFSA-N 2 1 288.439 2.119 20 0 CEADMP COCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663472214 414966167 /nfs/dbraw/zinc/96/61/67/414966167.db2.gz ZTAUGGSEWKZFHO-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP CC1(C)C[C@H]([NH2+]C[C@]23C[C@H]2C[NH2+]C3)c2cc(N)ccc2O1 ZINC000663496244 414969336 /nfs/dbraw/zinc/96/93/36/414969336.db2.gz FFNGKWQCFJMYCZ-PZSREKOKSA-N 2 1 287.407 2.070 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000657830906 415096998 /nfs/dbraw/zinc/09/69/98/415096998.db2.gz WEJCQJHCXDOPEO-INIZCTEOSA-N 2 1 296.455 2.035 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC[NH+](CC2CC2)CC1 ZINC000657815225 415092198 /nfs/dbraw/zinc/09/21/98/415092198.db2.gz NFJAVBJFICVCLD-ROUUACIJSA-N 3 1 291.483 2.325 20 0 CEADMP Cc1ncsc1C[N@H+](C)CCCc1cncn1C ZINC000653554717 415031655 /nfs/dbraw/zinc/03/16/55/415031655.db2.gz SKININLOLQPLKZ-UHFFFAOYSA-N 2 1 264.398 2.250 20 0 CEADMP Cc1ncsc1C[N@H+](C)CCCc1c[nH+]cn1C ZINC000653554717 415031662 /nfs/dbraw/zinc/03/16/62/415031662.db2.gz SKININLOLQPLKZ-UHFFFAOYSA-N 2 1 264.398 2.250 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCn2nccc21)C[NH+]1CCCC1 ZINC000657844094 415103545 /nfs/dbraw/zinc/10/35/45/415103545.db2.gz GHNQUACUHBNQIQ-KGLIPLIRSA-N 2 1 262.401 2.040 20 0 CEADMP CC(C)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000044389306 175170677 /nfs/dbraw/zinc/17/06/77/175170677.db2.gz GNLQRIIJJYVAIF-QGZVFWFLSA-N 2 1 276.424 2.356 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000044529780 175194559 /nfs/dbraw/zinc/19/45/59/175194559.db2.gz UYVMBJYIKXBWHQ-GFCCVEGCSA-N 2 1 295.814 2.339 20 0 CEADMP Cc1ccc2c(C[N@@H+]3CCC[C@@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000044530504 175194817 /nfs/dbraw/zinc/19/48/17/175194817.db2.gz ONWJPJZKNMSPNK-ZDUSSCGKSA-N 2 1 286.375 2.272 20 0 CEADMP Cc1ccc2c(C[N@H+]3CCC[C@@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000044530504 175194820 /nfs/dbraw/zinc/19/48/20/175194820.db2.gz ONWJPJZKNMSPNK-ZDUSSCGKSA-N 2 1 286.375 2.272 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000565906096 298931386 /nfs/dbraw/zinc/93/13/86/298931386.db2.gz WVNWYJDMRKIFFQ-MELADBBJSA-N 2 1 262.401 2.308 20 0 CEADMP C[NH+](C)CCC[N@H+](C)CCNc1ncc(Cl)cc1F ZINC000664247610 415243588 /nfs/dbraw/zinc/24/35/88/415243588.db2.gz DEQSSBWUVHFABQ-UHFFFAOYSA-N 2 1 288.798 2.170 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)CCNc1ncc(Cl)cc1F ZINC000664247610 415243597 /nfs/dbraw/zinc/24/35/97/415243597.db2.gz DEQSSBWUVHFABQ-UHFFFAOYSA-N 2 1 288.798 2.170 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)O2)[C@@H](C)C1 ZINC000658218200 415258698 /nfs/dbraw/zinc/25/86/98/415258698.db2.gz HOERUUKMRVEZQK-AJNGGQMLSA-N 2 1 254.418 2.264 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000661439711 415263732 /nfs/dbraw/zinc/26/37/32/415263732.db2.gz BIHMOSQGMIHKSC-GJZGRUSLSA-N 2 1 256.434 2.201 20 0 CEADMP CC(C)c1cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ncn1 ZINC000664196921 415221505 /nfs/dbraw/zinc/22/15/05/415221505.db2.gz NVBDGHVXYPVLSW-AWEZNQCLSA-N 2 1 293.459 2.284 20 0 CEADMP CC(C)c1cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ncn1 ZINC000664196921 415221513 /nfs/dbraw/zinc/22/15/13/415221513.db2.gz NVBDGHVXYPVLSW-AWEZNQCLSA-N 2 1 293.459 2.284 20 0 CEADMP CC1(C)[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1(F)F ZINC000658281999 415295619 /nfs/dbraw/zinc/29/56/19/415295619.db2.gz SMOUFLPGZFPFNL-CHWSQXEVSA-N 2 1 288.382 2.121 20 0 CEADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355769 415338334 /nfs/dbraw/zinc/33/83/34/415338334.db2.gz KKRMNDGAVTXGJD-GFCCVEGCSA-N 2 1 276.428 2.491 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000655695291 415392911 /nfs/dbraw/zinc/39/29/11/415392911.db2.gz WJZATRSABPUVHT-BFHYXJOUSA-N 2 1 260.385 2.062 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655695291 415392914 /nfs/dbraw/zinc/39/29/14/415392914.db2.gz WJZATRSABPUVHT-BFHYXJOUSA-N 2 1 260.385 2.062 20 0 CEADMP CCC1(CC)CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000661673609 415393945 /nfs/dbraw/zinc/39/39/45/415393945.db2.gz VSOUYCIQLVJUKM-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP CCC1(CC)CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000661673609 415393949 /nfs/dbraw/zinc/39/39/49/415393949.db2.gz VSOUYCIQLVJUKM-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP CCC1(CC)CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000661673609 415393954 /nfs/dbraw/zinc/39/39/54/415393954.db2.gz VSOUYCIQLVJUKM-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP CCC1(CC)CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000661673609 415393960 /nfs/dbraw/zinc/39/39/60/415393960.db2.gz VSOUYCIQLVJUKM-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655711369 415406450 /nfs/dbraw/zinc/40/64/50/415406450.db2.gz IOKYUEFLVJCTRS-XIRDDKMYSA-N 2 1 298.471 2.017 20 0 CEADMP CCC[C@H](CCO)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655717509 415409102 /nfs/dbraw/zinc/40/91/02/415409102.db2.gz DURHSCLMVVNGNQ-WBVHZDCISA-N 2 1 298.471 2.018 20 0 CEADMP Cc1ccsc1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655735518 415421530 /nfs/dbraw/zinc/42/15/30/415421530.db2.gz IXDODWKNCTWEKV-OAHLLOKOSA-N 2 1 294.464 2.442 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000655738491 415426936 /nfs/dbraw/zinc/42/69/36/415426936.db2.gz VUWIVUUZVQGZJA-HOTGVXAUSA-N 2 1 296.455 2.177 20 0 CEADMP C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2cnc[nH]2)C1 ZINC000661649878 415380949 /nfs/dbraw/zinc/38/09/49/415380949.db2.gz QJDUEFKSVVGUMR-KRWDZBQOSA-N 2 1 284.407 2.159 20 0 CEADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(Cc2cnc[nH]2)C1 ZINC000661649878 415380957 /nfs/dbraw/zinc/38/09/57/415380957.db2.gz QJDUEFKSVVGUMR-KRWDZBQOSA-N 2 1 284.407 2.159 20 0 CEADMP c1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655683531 415384201 /nfs/dbraw/zinc/38/42/01/415384201.db2.gz GNULYIJOAGJCIM-QGZVFWFLSA-N 2 1 274.408 2.072 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CS1 ZINC000655691588 415389873 /nfs/dbraw/zinc/38/98/73/415389873.db2.gz VXILKHUULBIXCH-XJFOESAGSA-N 2 1 254.443 2.487 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CS1 ZINC000655691588 415389879 /nfs/dbraw/zinc/38/98/79/415389879.db2.gz VXILKHUULBIXCH-XJFOESAGSA-N 2 1 254.443 2.487 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CS1 ZINC000655691589 415390721 /nfs/dbraw/zinc/39/07/21/415390721.db2.gz VXILKHUULBIXCH-ZOBORPQBSA-N 2 1 254.443 2.487 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CS1 ZINC000655691589 415390722 /nfs/dbraw/zinc/39/07/22/415390722.db2.gz VXILKHUULBIXCH-ZOBORPQBSA-N 2 1 254.443 2.487 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(COC)CC2)[C@H](C)C1 ZINC000655818387 415493956 /nfs/dbraw/zinc/49/39/56/415493956.db2.gz RDYCRXMIOJAAAS-HZPDHXFCSA-N 2 1 298.471 2.140 20 0 CEADMP CC1(C)CC[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)O1 ZINC000655756694 415437978 /nfs/dbraw/zinc/43/79/78/415437978.db2.gz WHNGNFXDRDLPLQ-HZPDHXFCSA-N 2 1 296.455 2.177 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1nccs1 ZINC000655754462 415438704 /nfs/dbraw/zinc/43/87/04/415438704.db2.gz WRIHXTPRLSKWNM-GXTWGEPZSA-N 2 1 295.452 2.090 20 0 CEADMP Cc1cscc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655761385 415442211 /nfs/dbraw/zinc/44/22/11/415442211.db2.gz ISSJBYJCYWYMIY-HNNXBMFYSA-N 2 1 280.437 2.399 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655764564 415444628 /nfs/dbraw/zinc/44/46/28/415444628.db2.gz KWPGZXPEABAXRD-FMKPAKJESA-N 2 1 266.429 2.266 20 0 CEADMP Cc1c[nH+]ccc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664679285 415451868 /nfs/dbraw/zinc/45/18/68/415451868.db2.gz VLQJYMHCFNXOLC-OAHLLOKOSA-N 2 1 259.397 2.346 20 0 CEADMP CO[C@@H]([C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000655774046 415456873 /nfs/dbraw/zinc/45/68/73/415456873.db2.gz OLFJUOAPLXFDLK-XYPHTWIQSA-N 2 1 296.455 2.033 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2C[C@H]2C2CCC2)CC1 ZINC000655778557 415458054 /nfs/dbraw/zinc/45/80/54/415458054.db2.gz PGUHFGBSCXOSKW-YESZJQIVSA-N 2 1 278.440 2.408 20 0 CEADMP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655793416 415474201 /nfs/dbraw/zinc/47/42/01/415474201.db2.gz WLKGFDNJVFGGKT-GVDBMIGSSA-N 2 1 296.455 2.177 20 0 CEADMP CC[NH+]1CCC(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655848153 415516716 /nfs/dbraw/zinc/51/67/16/415516716.db2.gz GCLDILVLXXLCMT-HZPDHXFCSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@H+]1C ZINC000655848986 415517058 /nfs/dbraw/zinc/51/70/58/415517058.db2.gz NGGAUTIGQJGOBQ-WCVJEAGWSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC[NH+]1C ZINC000655848986 415517068 /nfs/dbraw/zinc/51/70/68/415517068.db2.gz NGGAUTIGQJGOBQ-WCVJEAGWSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN3CCCC[C@@H]23)CCN1C ZINC000655848986 415517073 /nfs/dbraw/zinc/51/70/73/415517073.db2.gz NGGAUTIGQJGOBQ-WCVJEAGWSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CCc2noc3ccccc32)C1 ZINC000655938903 415559386 /nfs/dbraw/zinc/55/93/86/415559386.db2.gz HPXUGXRWXHCTSE-OAHLLOKOSA-N 2 1 259.353 2.041 20 0 CEADMP c1ccc([C@H]2CC[NH2+]C[C@H]2N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000665251311 415650530 /nfs/dbraw/zinc/65/05/30/415650530.db2.gz MOBUTQISPKWEAE-INDMIFKZSA-N 2 1 299.462 2.349 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nc(C3CC3)cs2)C1 ZINC000656193019 415626291 /nfs/dbraw/zinc/62/62/91/415626291.db2.gz INKQUQJUGHKJKN-GHMZBOCLSA-N 2 1 251.399 2.380 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@@H](OC3CCC3)C2)CC[NH2+]C1 ZINC000656193749 415629536 /nfs/dbraw/zinc/62/95/36/415629536.db2.gz RFRQGDUBWLSANY-HUUCEWRRSA-N 2 1 252.402 2.020 20 0 CEADMP CCC(C)(C)[NH+]1CCN([C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000656199917 415633044 /nfs/dbraw/zinc/63/30/44/415633044.db2.gz GLJQLVBOUQYADI-HRCADAONSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]([NH2+]CCc1noc2ccccc12)[C@@H]1CCCC[NH2+]1 ZINC000665231980 415635800 /nfs/dbraw/zinc/63/58/00/415635800.db2.gz CJUXLQLJVBNPGC-OCCSQVGLSA-N 2 1 273.380 2.491 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000665241232 415645985 /nfs/dbraw/zinc/64/59/85/415645985.db2.gz FVINMWLORLWHOE-VJANTYMQSA-N 2 1 299.462 2.381 20 0 CEADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656218980 415649383 /nfs/dbraw/zinc/64/93/83/415649383.db2.gz IBJYPOBDZMTNBN-LSDHHAIUSA-N 2 1 297.402 2.107 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000665257959 415654153 /nfs/dbraw/zinc/65/41/53/415654153.db2.gz ZWYZRMNHFLVXCX-VJUNAUMWSA-N 2 1 292.398 2.428 20 0 CEADMP CCC(CC)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)OC ZINC000656259866 415664736 /nfs/dbraw/zinc/66/47/36/415664736.db2.gz DSTHZYZHQYLFGS-INIZCTEOSA-N 2 1 298.471 2.425 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CCC1CC1)CC1CC1 ZINC000662177749 415676372 /nfs/dbraw/zinc/67/63/72/415676372.db2.gz NFIJILHQLSGENF-MRXNPFEDSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CCC1CC1)CC1CC1 ZINC000662177749 415676377 /nfs/dbraw/zinc/67/63/77/415676377.db2.gz NFIJILHQLSGENF-MRXNPFEDSA-N 2 1 268.445 2.200 20 0 CEADMP Cc1cc(C)cc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000665291086 415679689 /nfs/dbraw/zinc/67/96/89/415679689.db2.gz ULDLWOWJMDIUGN-LBPRGKRZSA-N 2 1 286.379 2.109 20 0 CEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000665297469 415685212 /nfs/dbraw/zinc/68/52/12/415685212.db2.gz GJJMGVKFKLOGCI-GDBMZVCRSA-N 2 1 264.413 2.425 20 0 CEADMP C[NH2+]C[C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000665297949 415685325 /nfs/dbraw/zinc/68/53/25/415685325.db2.gz OYYORGZTWOYXSX-LEUOFYLZSA-N 2 1 287.451 2.380 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000665297444 415686620 /nfs/dbraw/zinc/68/66/20/415686620.db2.gz GAHCJTKBNFKWBD-RWMBFGLXSA-N 2 1 280.412 2.393 20 0 CEADMP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665300015 415689166 /nfs/dbraw/zinc/68/91/66/415689166.db2.gz WMJWLVXEIXNPDO-BRSBDYLESA-N 3 1 291.483 2.086 20 0 CEADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000071148702 176044557 /nfs/dbraw/zinc/04/45/57/176044557.db2.gz HOVYUBWHLDWBNG-MRXNPFEDSA-N 2 1 275.440 2.201 20 0 CEADMP c1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c2c(c1)C[NH2+]CC2 ZINC000662251045 415717058 /nfs/dbraw/zinc/71/70/58/415717058.db2.gz WSUBUHLSFILBGK-AWEZNQCLSA-N 2 1 286.419 2.333 20 0 CEADMP C[N@@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255794 415718390 /nfs/dbraw/zinc/71/83/90/415718390.db2.gz DHTJUOLTFYYCIJ-ZDUSSCGKSA-N 2 1 298.789 2.432 20 0 CEADMP C[N@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255794 415718391 /nfs/dbraw/zinc/71/83/91/415718391.db2.gz DHTJUOLTFYYCIJ-ZDUSSCGKSA-N 2 1 298.789 2.432 20 0 CEADMP Fc1cccc([C@@H]2CC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662255684 415718567 /nfs/dbraw/zinc/71/85/67/415718567.db2.gz DEKBBRAOPWCRHO-GJZGRUSLSA-N 2 1 276.355 2.094 20 0 CEADMP CC[N@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000656476711 415731545 /nfs/dbraw/zinc/73/15/45/415731545.db2.gz RHYUYJROILMEHG-AEFFLSMTSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000656476711 415731551 /nfs/dbraw/zinc/73/15/51/415731551.db2.gz RHYUYJROILMEHG-AEFFLSMTSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000656476711 415731557 /nfs/dbraw/zinc/73/15/57/415731557.db2.gz RHYUYJROILMEHG-AEFFLSMTSA-N 2 1 287.451 2.287 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662265902 415733524 /nfs/dbraw/zinc/73/35/24/415733524.db2.gz WXTZOUFXHCKSBW-UHFFFAOYSA-N 3 1 287.451 2.295 20 0 CEADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@H](C[NH3+])C3)on2)cc1 ZINC000662246787 415708175 /nfs/dbraw/zinc/70/81/75/415708175.db2.gz RQJNQNWSOAEUEQ-GFCCVEGCSA-N 2 1 287.363 2.131 20 0 CEADMP COc1ccc(-c2cc(C[N@H+]3CC[C@H](C[NH3+])C3)on2)cc1 ZINC000662246787 415708180 /nfs/dbraw/zinc/70/81/80/415708180.db2.gz RQJNQNWSOAEUEQ-GFCCVEGCSA-N 2 1 287.363 2.131 20 0 CEADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248381 415711470 /nfs/dbraw/zinc/71/14/70/415711470.db2.gz AGOJNCIQPGRHIB-DGCLKSJQSA-N 2 1 296.361 2.479 20 0 CEADMP C[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249730 415712285 /nfs/dbraw/zinc/71/22/85/415712285.db2.gz YZXCWUGLSFFLFY-NEPJUHHUSA-N 2 1 278.421 2.188 20 0 CEADMP c1cc([C@@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)n[nH]1 ZINC000662251916 415714160 /nfs/dbraw/zinc/71/41/60/415714160.db2.gz IOCPIDJBJISKBF-MRXNPFEDSA-N 2 1 296.418 2.435 20 0 CEADMP CC[C@H]1Cc2ccccc2C[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662279663 415745477 /nfs/dbraw/zinc/74/54/77/415745477.db2.gz WNVHQWPHSNQXPB-IRXDYDNUSA-N 2 1 286.419 2.344 20 0 CEADMP Cc1[nH+]ccn1CCCN1C[C@@H]([NH3+])CCc2ccccc21 ZINC000662302981 415765801 /nfs/dbraw/zinc/76/58/01/415765801.db2.gz QSTGTVRIQLXSBW-INIZCTEOSA-N 2 1 284.407 2.362 20 0 CEADMP CC[N@H+](Cc1ccc(C)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662306080 415768011 /nfs/dbraw/zinc/76/80/11/415768011.db2.gz XBIQCVRIBXPUTL-INIZCTEOSA-N 2 1 274.408 2.338 20 0 CEADMP C[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000662312153 415772320 /nfs/dbraw/zinc/77/23/20/415772320.db2.gz GWKIDZZLIBXDDE-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP c1ccc(O[C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000662316649 415773927 /nfs/dbraw/zinc/77/39/27/415773927.db2.gz LIDSSWNGOCJJFP-GOEBONIOSA-N 2 1 260.381 2.139 20 0 CEADMP COc1cccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662318250 415776222 /nfs/dbraw/zinc/77/62/22/415776222.db2.gz YITSXFNBPMMOCU-KRWDZBQOSA-N 2 1 292.423 2.238 20 0 CEADMP COc1cccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662318250 415776232 /nfs/dbraw/zinc/77/62/32/415776232.db2.gz YITSXFNBPMMOCU-KRWDZBQOSA-N 2 1 292.423 2.238 20 0 CEADMP C[C@H](c1ccncc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321416 415777355 /nfs/dbraw/zinc/77/73/55/415777355.db2.gz HYSVTFWIXSKDNM-ZBFHGGJFSA-N 2 1 277.412 2.185 20 0 CEADMP C[C@H](c1ccncc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321416 415777361 /nfs/dbraw/zinc/77/73/61/415777361.db2.gz HYSVTFWIXSKDNM-ZBFHGGJFSA-N 2 1 277.412 2.185 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)C1CCCC1 ZINC000662284112 415751781 /nfs/dbraw/zinc/75/17/81/415751781.db2.gz TTWBLLAIEXGBQD-BFJAYTPKSA-N 2 1 268.445 2.497 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC2CC=CC2)C1 ZINC000662284137 415752708 /nfs/dbraw/zinc/75/27/08/415752708.db2.gz LRZZKBKYPXLJOX-PMPSAXMXSA-N 2 1 264.413 2.313 20 0 CEADMP Cc1cnc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000662292290 415755851 /nfs/dbraw/zinc/75/58/51/415755851.db2.gz DASAFLJPKPBEDN-CQSZACIVSA-N 2 1 263.385 2.195 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCC3CCC3)C2)C1 ZINC000662286540 415756447 /nfs/dbraw/zinc/75/64/47/415756447.db2.gz QDXAKPFUBUDLJO-BZUAXINKSA-N 2 1 266.429 2.395 20 0 CEADMP C(c1nc(C2CC2)no1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291209 415756745 /nfs/dbraw/zinc/75/67/45/415756745.db2.gz DKWTZBHJXDOITA-AWEZNQCLSA-N 2 1 290.411 2.159 20 0 CEADMP C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@@H]1CCCO1 ZINC000662296414 415759232 /nfs/dbraw/zinc/75/92/32/415759232.db2.gz ZQXXGLALMIBWAF-CVEARBPZSA-N 2 1 266.429 2.267 20 0 CEADMP CCCCCNC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293829 415759316 /nfs/dbraw/zinc/75/93/16/415759316.db2.gz OJGJZHOVLCNOSY-INIZCTEOSA-N 2 1 295.471 2.004 20 0 CEADMP CCC(CC)CCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000662317298 415779558 /nfs/dbraw/zinc/77/95/58/415779558.db2.gz OHOICIJITXOMIH-UHFFFAOYSA-N 2 1 255.450 2.040 20 0 CEADMP CC(C)CCOCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324204 415781968 /nfs/dbraw/zinc/78/19/68/415781968.db2.gz VWSTWRCSPJFLTI-INIZCTEOSA-N 2 1 286.460 2.092 20 0 CEADMP CC(C)CCOCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324204 415781971 /nfs/dbraw/zinc/78/19/71/415781971.db2.gz VWSTWRCSPJFLTI-INIZCTEOSA-N 2 1 286.460 2.092 20 0 CEADMP c1ccc(C23CC(C2)C[N@@H+]3C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662328072 415784249 /nfs/dbraw/zinc/78/42/49/415784249.db2.gz OESSYJQTIGAEOB-HQVVEAJESA-N 2 1 284.403 2.129 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C1CCCCC1 ZINC000659925352 415785860 /nfs/dbraw/zinc/78/58/60/415785860.db2.gz IKJVHEBOSCNXLA-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccc(OC)cc1 ZINC000656689717 415812699 /nfs/dbraw/zinc/81/26/99/415812699.db2.gz BGDHUQWTAHBKSM-RDJZCZTQSA-N 2 1 294.439 2.437 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccc(OC)cc1 ZINC000656689717 415812705 /nfs/dbraw/zinc/81/27/05/415812705.db2.gz BGDHUQWTAHBKSM-RDJZCZTQSA-N 2 1 294.439 2.437 20 0 CEADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@@H]3CCC[C@H]3O)C2)c1 ZINC000656696781 415819645 /nfs/dbraw/zinc/81/96/45/415819645.db2.gz LRMSCRAVVOTQSZ-RBSFLKMASA-N 2 1 275.396 2.037 20 0 CEADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@@H]3CCC[C@H]3O)C2)c1 ZINC000656696781 415819652 /nfs/dbraw/zinc/81/96/52/415819652.db2.gz LRMSCRAVVOTQSZ-RBSFLKMASA-N 2 1 275.396 2.037 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000659982332 415827111 /nfs/dbraw/zinc/82/71/11/415827111.db2.gz KDMXYJZNOCLCSC-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000659982332 415827113 /nfs/dbraw/zinc/82/71/13/415827113.db2.gz KDMXYJZNOCLCSC-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000659982332 415827115 /nfs/dbraw/zinc/82/71/15/415827115.db2.gz KDMXYJZNOCLCSC-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H](C)[NH3+] ZINC000662669063 415925895 /nfs/dbraw/zinc/92/58/95/415925895.db2.gz URUVYASFGQBZGQ-LZWOXQAQSA-N 2 1 295.471 2.129 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(N3CCCC3)nc2)CCCC1 ZINC000656788717 415864237 /nfs/dbraw/zinc/86/42/37/415864237.db2.gz XWIGMVWDDWKYQQ-UHFFFAOYSA-N 2 1 274.412 2.043 20 0 CEADMP Cc1ccc([C@H]2CCN(C[C@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC000660247938 415939636 /nfs/dbraw/zinc/93/96/36/415939636.db2.gz CYVHUXDAPCRCDE-ZWKOTPCHSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1ccc([C@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2)cc1 ZINC000660247938 415939638 /nfs/dbraw/zinc/93/96/38/415939638.db2.gz CYVHUXDAPCRCDE-ZWKOTPCHSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1ccc([C@H]2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC000660247938 415939642 /nfs/dbraw/zinc/93/96/42/415939642.db2.gz CYVHUXDAPCRCDE-ZWKOTPCHSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1ccc([C@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660247938 415939647 /nfs/dbraw/zinc/93/96/47/415939647.db2.gz CYVHUXDAPCRCDE-ZWKOTPCHSA-N 2 1 290.451 2.485 20 0 CEADMP CC[NH+]1CCC([NH2+]C[C@@H]2CCCCN2C2CC2)CC1 ZINC000567320674 299051810 /nfs/dbraw/zinc/05/18/10/299051810.db2.gz JVCDTNSHQNJEGN-INIZCTEOSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1c[nH]c2nccnc12 ZINC000356128883 228133484 /nfs/dbraw/zinc/13/34/84/228133484.db2.gz ZENHPFQUJJBHLT-ZDUSSCGKSA-N 2 1 287.411 2.264 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC[C@@H]1[NH3+] ZINC000122232408 419425890 /nfs/dbraw/zinc/42/58/90/419425890.db2.gz OIXHHOVFGINOMZ-ZFWWWQNUSA-N 2 1 260.381 2.181 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCCO2)CC1)C1CC1 ZINC000130223592 419428119 /nfs/dbraw/zinc/42/81/19/419428119.db2.gz VIMPFGTYKCZFHX-HNNXBMFYSA-N 2 1 252.402 2.020 20 0 CEADMP COc1cccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1F ZINC000666844146 419446992 /nfs/dbraw/zinc/44/69/92/419446992.db2.gz NJUNLQXFZUNXAT-HNNXBMFYSA-N 2 1 266.360 2.314 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000666172152 419564805 /nfs/dbraw/zinc/56/48/05/419564805.db2.gz JJRMSOGEPXTERN-GJZGRUSLSA-N 3 1 267.461 2.038 20 0 CEADMP COc1cc(C)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(C)n1 ZINC000666997017 419507718 /nfs/dbraw/zinc/50/77/18/419507718.db2.gz RFJVHHLOSCQYEM-CQSZACIVSA-N 2 1 289.423 2.471 20 0 CEADMP C[C@H]1C[NH+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]1C ZINC000667649739 419747732 /nfs/dbraw/zinc/74/77/32/419747732.db2.gz AHIUSBNFJQUGHQ-STQMWFEESA-N 2 1 256.353 2.355 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCOCC3(CCCC3)C2)CC[NH2+]1 ZINC000666705408 419779579 /nfs/dbraw/zinc/77/95/79/419779579.db2.gz PMWCOAWOJHTKBK-GJZGRUSLSA-N 2 1 266.429 2.267 20 0 CEADMP C[N@H+](CCc1ccc(F)cc1)CC[C@H]1CC[NH2+]C1 ZINC000259195346 270329570 /nfs/dbraw/zinc/32/95/70/270329570.db2.gz ZWMKXHOXHFMCNS-CQSZACIVSA-N 2 1 250.361 2.300 20 0 CEADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCOCC1 ZINC000518055738 260339016 /nfs/dbraw/zinc/33/90/16/260339016.db2.gz YTXJITKCBOKYKG-WBVHZDCISA-N 2 1 298.471 2.282 20 0 CEADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCOCC1 ZINC000518055738 260339017 /nfs/dbraw/zinc/33/90/17/260339017.db2.gz YTXJITKCBOKYKG-WBVHZDCISA-N 2 1 298.471 2.282 20 0 CEADMP CCOC(=O)N1CCC([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC000497186394 262088063 /nfs/dbraw/zinc/08/80/63/262088063.db2.gz KTEYXRPVFHPMAS-UHFFFAOYSA-N 2 1 297.443 2.071 20 0 CEADMP CCOC(=O)N1CCC([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC000497186394 262088066 /nfs/dbraw/zinc/08/80/66/262088066.db2.gz KTEYXRPVFHPMAS-UHFFFAOYSA-N 2 1 297.443 2.071 20 0 CEADMP c1nn(Cc2ccccc2)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000390157744 262143340 /nfs/dbraw/zinc/14/33/40/262143340.db2.gz XPIHDWIQXHFFKC-INIZCTEOSA-N 2 1 284.407 2.021 20 0 CEADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390567824 262219321 /nfs/dbraw/zinc/21/93/21/262219321.db2.gz BSJATSZKPFOVPR-FRRDWIJNSA-N 2 1 276.371 2.169 20 0 CEADMP CCCOc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1OC ZINC000414791386 263048968 /nfs/dbraw/zinc/04/89/68/263048968.db2.gz QJZVVWHDAUIEBH-UHFFFAOYSA-N 2 1 278.396 2.326 20 0 CEADMP C[N@H+](CCC1CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425953521 264071224 /nfs/dbraw/zinc/07/12/24/264071224.db2.gz WQNBMLHQJUYQIW-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP C[N@@H+](CCC1CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425953521 264071227 /nfs/dbraw/zinc/07/12/27/264071227.db2.gz WQNBMLHQJUYQIW-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP C[NH+](CCC1CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425953521 264071229 /nfs/dbraw/zinc/07/12/29/264071229.db2.gz WQNBMLHQJUYQIW-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP C[NH+](CCC1CC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425953521 264071230 /nfs/dbraw/zinc/07/12/30/264071230.db2.gz WQNBMLHQJUYQIW-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000044532750 270229834 /nfs/dbraw/zinc/22/98/34/270229834.db2.gz ILYPZJFLMJJOOU-RHSMWYFYSA-N 2 1 258.409 2.475 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C)[C@H]2C)CC1 ZINC000192752895 270279862 /nfs/dbraw/zinc/27/98/62/270279862.db2.gz YZSYBOMIQHKRPF-HZPDHXFCSA-N 2 1 267.461 2.133 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)CC1CCCC1 ZINC000232130326 270314841 /nfs/dbraw/zinc/31/48/41/270314841.db2.gz KBDGFMUSIPTSHJ-JYJNAYRXSA-N 2 1 266.429 2.144 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)CC1CCCC1 ZINC000232130326 270314842 /nfs/dbraw/zinc/31/48/42/270314842.db2.gz KBDGFMUSIPTSHJ-JYJNAYRXSA-N 2 1 266.429 2.144 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000236713123 270316800 /nfs/dbraw/zinc/31/68/00/270316800.db2.gz RFHUZPLALLXBPW-GJZGRUSLSA-N 2 1 283.460 2.132 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000237717838 270323302 /nfs/dbraw/zinc/32/33/02/270323302.db2.gz QNCPRGAKXJMWKS-AWEZNQCLSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000420379129 270533594 /nfs/dbraw/zinc/53/35/94/270533594.db2.gz XLMXYDUNCINBJN-HSMVNMDESA-N 2 1 293.386 2.130 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422735493 270745508 /nfs/dbraw/zinc/74/55/08/270745508.db2.gz DWVCFENWIDGKLE-ZIAGYGMSSA-N 3 1 263.429 2.354 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n(C)n1 ZINC000423097928 270834993 /nfs/dbraw/zinc/83/49/93/270834993.db2.gz BRXKZMAWNRXBAK-HRCADAONSA-N 2 1 276.428 2.129 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000423100132 270835633 /nfs/dbraw/zinc/83/56/33/270835633.db2.gz GGUCJIDKJQTEHI-ZIAGYGMSSA-N 2 1 272.396 2.147 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cc(F)cc1F ZINC000423126533 270845189 /nfs/dbraw/zinc/84/51/89/270845189.db2.gz AVJXBQHOQOVXLQ-SDBXPKJASA-N 2 1 258.287 2.321 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423164841 270856159 /nfs/dbraw/zinc/85/61/59/270856159.db2.gz AKVSXISRVHCCOS-YYIAUSFCSA-N 3 1 279.472 2.229 20 0 CEADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C1 ZINC000423498749 270917945 /nfs/dbraw/zinc/91/79/45/270917945.db2.gz BYKBVASZNBPYIO-JYJNAYRXSA-N 2 1 267.461 2.085 20 0 CEADMP CC[NH+]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424143155 271023081 /nfs/dbraw/zinc/02/30/81/271023081.db2.gz WCJACKQCGADMBJ-INIZCTEOSA-N 2 1 295.471 2.228 20 0 CEADMP CCCCOCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424283823 271039272 /nfs/dbraw/zinc/03/92/72/271039272.db2.gz CHCLSWDSXZWINA-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP O[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000424336741 271048133 /nfs/dbraw/zinc/04/81/33/271048133.db2.gz YNJYXUWMWAWQGD-CWQOZTLDSA-N 2 1 286.419 2.010 20 0 CEADMP CN(C)c1ncc(CN2CC[C@H](Nc3ccccc3)C2)n1C ZINC000425321307 271155937 /nfs/dbraw/zinc/15/59/37/271155937.db2.gz FGBNGCYJJDDQHQ-HNNXBMFYSA-N 2 1 299.422 2.173 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCCC[C@H]1O ZINC000426212109 271204145 /nfs/dbraw/zinc/20/41/45/271204145.db2.gz XKXJGVIABINCOM-RRFJBIMHSA-N 2 1 254.418 2.096 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCCC[C@H]1O ZINC000426212109 271204149 /nfs/dbraw/zinc/20/41/49/271204149.db2.gz XKXJGVIABINCOM-RRFJBIMHSA-N 2 1 254.418 2.096 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCCC[C@H]1O ZINC000426212109 271204153 /nfs/dbraw/zinc/20/41/53/271204153.db2.gz XKXJGVIABINCOM-RRFJBIMHSA-N 2 1 254.418 2.096 20 0 CEADMP CC(C)c1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000426288368 271208952 /nfs/dbraw/zinc/20/89/52/271208952.db2.gz ITLYBNDDPKSPNZ-NWDGAFQWSA-N 2 1 282.457 2.134 20 0 CEADMP CCc1cccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428035279 271241085 /nfs/dbraw/zinc/24/10/85/271241085.db2.gz UYXPLGDSDPRJEJ-RDJZCZTQSA-N 2 1 274.408 2.312 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428035279 271241089 /nfs/dbraw/zinc/24/10/89/271241089.db2.gz UYXPLGDSDPRJEJ-RDJZCZTQSA-N 2 1 274.408 2.312 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1cnc(C)cn1 ZINC000428375191 271260680 /nfs/dbraw/zinc/26/06/80/271260680.db2.gz QAXBCWIERUBAIG-ZDUSSCGKSA-N 2 1 273.384 2.373 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1cnc(C)cn1 ZINC000428375191 271260683 /nfs/dbraw/zinc/26/06/83/271260683.db2.gz QAXBCWIERUBAIG-ZDUSSCGKSA-N 2 1 273.384 2.373 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430539393 271386872 /nfs/dbraw/zinc/38/68/72/271386872.db2.gz DQJUNBQNZKRHMZ-ARFHVFGLSA-N 2 1 297.487 2.471 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430539393 271386875 /nfs/dbraw/zinc/38/68/75/271386875.db2.gz DQJUNBQNZKRHMZ-ARFHVFGLSA-N 2 1 297.487 2.471 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000430563810 271391001 /nfs/dbraw/zinc/39/10/01/271391001.db2.gz KDUYNPHNMGGUIK-GRAKBVBRSA-N 2 1 297.487 2.375 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000430563810 271391005 /nfs/dbraw/zinc/39/10/05/271391005.db2.gz KDUYNPHNMGGUIK-GRAKBVBRSA-N 2 1 297.487 2.375 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)C1CCCC1 ZINC000430572876 271393167 /nfs/dbraw/zinc/39/31/67/271393167.db2.gz PICOMRYSOWDVMX-CABCVRRESA-N 2 1 295.471 2.225 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)C1CCCC1 ZINC000430572876 271393170 /nfs/dbraw/zinc/39/31/70/271393170.db2.gz PICOMRYSOWDVMX-CABCVRRESA-N 2 1 295.471 2.225 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2nc3ccccc3n2C)C1 ZINC000430582898 271395104 /nfs/dbraw/zinc/39/51/04/271395104.db2.gz LJIIGWNQIXYDGP-UONOGXRCSA-N 2 1 286.423 2.175 20 0 CEADMP C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430591449 271396070 /nfs/dbraw/zinc/39/60/70/271396070.db2.gz FROQYHJDEYPSQC-AALSBFMBSA-N 2 1 295.471 2.129 20 0 CEADMP C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430591449 271396071 /nfs/dbraw/zinc/39/60/71/271396071.db2.gz FROQYHJDEYPSQC-AALSBFMBSA-N 2 1 295.471 2.129 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430591466 271396812 /nfs/dbraw/zinc/39/68/12/271396812.db2.gz FSWOIGBPYAXFMK-ZYHUDNBSSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430591466 271396814 /nfs/dbraw/zinc/39/68/14/271396814.db2.gz FSWOIGBPYAXFMK-ZYHUDNBSSA-N 2 1 251.374 2.105 20 0 CEADMP COCc1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414783155 274053919 /nfs/dbraw/zinc/05/39/19/274053919.db2.gz PLOMCRUFTZTCLX-CHWSQXEVSA-N 2 1 295.452 2.111 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000229085825 274088472 /nfs/dbraw/zinc/08/84/72/274088472.db2.gz CMPWRRPSTQBCPX-RISCZKNCSA-N 2 1 277.412 2.124 20 0 CEADMP COc1c(C)cnc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000229085825 274088473 /nfs/dbraw/zinc/08/84/73/274088473.db2.gz CMPWRRPSTQBCPX-RISCZKNCSA-N 2 1 277.412 2.124 20 0 CEADMP COc1c(C)cnc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000229085825 274088474 /nfs/dbraw/zinc/08/84/74/274088474.db2.gz CMPWRRPSTQBCPX-RISCZKNCSA-N 2 1 277.412 2.124 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000036908227 274340678 /nfs/dbraw/zinc/34/06/78/274340678.db2.gz YTBYOGCBCGOUAT-KBUPBQIOSA-N 2 1 290.407 2.145 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2COc3ccccc3O2)CC[NH2+]1 ZINC000414676862 274399421 /nfs/dbraw/zinc/39/94/21/274399421.db2.gz IAARFUXALGGKNO-KFWWJZLASA-N 2 1 290.407 2.146 20 0 CEADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000335560232 274908634 /nfs/dbraw/zinc/90/86/34/274908634.db2.gz ACGRKJKEYPNPQL-ZIAGYGMSSA-N 2 1 296.361 2.215 20 0 CEADMP CC(C)[C@@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000376939508 276009144 /nfs/dbraw/zinc/00/91/44/276009144.db2.gz NKUMYSNTSOUSNK-ZBFHGGJFSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348090065 276118347 /nfs/dbraw/zinc/11/83/47/276118347.db2.gz VBQWEIVEQCRVIZ-UTUOFQBUSA-N 2 1 282.350 2.416 20 0 CEADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000305101246 276213289 /nfs/dbraw/zinc/21/32/89/276213289.db2.gz BJZQBORORUASQU-BPLDGKMQSA-N 2 1 256.434 2.103 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351540961 276284391 /nfs/dbraw/zinc/28/43/91/276284391.db2.gz WRZWSBMCQODVIT-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351540961 276284392 /nfs/dbraw/zinc/28/43/92/276284392.db2.gz WRZWSBMCQODVIT-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351540961 276284393 /nfs/dbraw/zinc/28/43/93/276284393.db2.gz WRZWSBMCQODVIT-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351540961 276284394 /nfs/dbraw/zinc/28/43/94/276284394.db2.gz WRZWSBMCQODVIT-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP CC[N@@H+](CCN[C@@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000261571527 276348901 /nfs/dbraw/zinc/34/89/01/276348901.db2.gz RLNTYQOVMJRUTB-JKSUJKDBSA-N 2 1 259.397 2.205 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000336108225 277023587 /nfs/dbraw/zinc/02/35/87/277023587.db2.gz YLRHHIZXLVCDIW-INIZCTEOSA-N 2 1 272.392 2.232 20 0 CEADMP C[NH+]1CCC(CC[NH2+][C@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000229937344 277026491 /nfs/dbraw/zinc/02/64/91/277026491.db2.gz NPBLZYCKIMACGZ-SJORKVTESA-N 2 1 273.424 2.453 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC[C@H]3CCCCO3)C2)C1 ZINC000336438915 277071920 /nfs/dbraw/zinc/07/19/20/277071920.db2.gz GHJYYDUWMXRCNJ-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC[C@H]3CCCCO3)C2)C1 ZINC000336438915 277071921 /nfs/dbraw/zinc/07/19/21/277071921.db2.gz GHJYYDUWMXRCNJ-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC[C@H]3CCCCO3)C2)C1 ZINC000336438915 277071923 /nfs/dbraw/zinc/07/19/23/277071923.db2.gz GHJYYDUWMXRCNJ-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000414904338 277151466 /nfs/dbraw/zinc/15/14/66/277151466.db2.gz JQBHDHFHITYRON-INIZCTEOSA-N 3 1 267.461 2.229 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@@H]2CCC=CO2)C1 ZINC000377839291 277155951 /nfs/dbraw/zinc/15/59/51/277155951.db2.gz HXCJSCHHOXWFOW-SOUVJXGZSA-N 2 1 250.386 2.095 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@@H]2CCC=CO2)C1 ZINC000377839291 277155953 /nfs/dbraw/zinc/15/59/53/277155953.db2.gz HXCJSCHHOXWFOW-SOUVJXGZSA-N 2 1 250.386 2.095 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@@H]2CCC=CO2)C1 ZINC000377839291 277155955 /nfs/dbraw/zinc/15/59/55/277155955.db2.gz HXCJSCHHOXWFOW-SOUVJXGZSA-N 2 1 250.386 2.095 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@H]2CCC=CO2)C1 ZINC000377839290 277156086 /nfs/dbraw/zinc/15/60/86/277156086.db2.gz HXCJSCHHOXWFOW-RRFJBIMHSA-N 2 1 250.386 2.095 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@H]2CCC=CO2)C1 ZINC000377839290 277156087 /nfs/dbraw/zinc/15/60/87/277156087.db2.gz HXCJSCHHOXWFOW-RRFJBIMHSA-N 2 1 250.386 2.095 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@H]2CCC=CO2)C1 ZINC000377839290 277156088 /nfs/dbraw/zinc/15/60/88/277156088.db2.gz HXCJSCHHOXWFOW-RRFJBIMHSA-N 2 1 250.386 2.095 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C12CCC2 ZINC000414171523 277312568 /nfs/dbraw/zinc/31/25/68/277312568.db2.gz CZFGWXLQPIVYSC-CQJMVSDSSA-N 2 1 278.440 2.406 20 0 CEADMP COC(=O)[C@@H]1CC12CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC2 ZINC000351598688 277343839 /nfs/dbraw/zinc/34/38/39/277343839.db2.gz UKPHAXLWLHKUJF-GJZGRUSLSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@H]1CC12CC[NH+](CC[C@@H]1CCCC[N@H+]1C)CC2 ZINC000351598688 277343840 /nfs/dbraw/zinc/34/38/40/277343840.db2.gz UKPHAXLWLHKUJF-GJZGRUSLSA-N 2 1 294.439 2.136 20 0 CEADMP CC(C)C[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000300409422 277386639 /nfs/dbraw/zinc/38/66/39/277386639.db2.gz ADCOCJBLIBMWAD-IRXDYDNUSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000358344701 277397187 /nfs/dbraw/zinc/39/71/87/277397187.db2.gz XMCOISYBKYGOBJ-BRWVUGGUSA-N 2 1 281.488 2.284 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000358344701 277397188 /nfs/dbraw/zinc/39/71/88/277397188.db2.gz XMCOISYBKYGOBJ-BRWVUGGUSA-N 2 1 281.488 2.284 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000358344701 277397190 /nfs/dbraw/zinc/39/71/90/277397190.db2.gz XMCOISYBKYGOBJ-BRWVUGGUSA-N 2 1 281.488 2.284 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000358344701 277397191 /nfs/dbraw/zinc/39/71/91/277397191.db2.gz XMCOISYBKYGOBJ-BRWVUGGUSA-N 3 1 281.488 2.284 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000358344701 277397192 /nfs/dbraw/zinc/39/71/92/277397192.db2.gz XMCOISYBKYGOBJ-BRWVUGGUSA-N 3 1 281.488 2.284 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000358344701 277397193 /nfs/dbraw/zinc/39/71/93/277397193.db2.gz XMCOISYBKYGOBJ-BRWVUGGUSA-N 3 1 281.488 2.284 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000358344701 277397194 /nfs/dbraw/zinc/39/71/94/277397194.db2.gz XMCOISYBKYGOBJ-BRWVUGGUSA-N 3 1 281.488 2.284 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C)C[C@H]2C)C1 ZINC000358344701 277397195 /nfs/dbraw/zinc/39/71/95/277397195.db2.gz XMCOISYBKYGOBJ-BRWVUGGUSA-N 2 1 281.488 2.284 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C)C[C@H]2C)C1 ZINC000358344701 277397197 /nfs/dbraw/zinc/39/71/97/277397197.db2.gz XMCOISYBKYGOBJ-BRWVUGGUSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000132635833 278024611 /nfs/dbraw/zinc/02/46/11/278024611.db2.gz RHGJAKPKSRKPDD-HIFRSBDPSA-N 2 1 279.472 2.464 20 0 CEADMP CC(=O)NC1CCC([NH2+][C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000187570146 278089347 /nfs/dbraw/zinc/08/93/47/278089347.db2.gz XQXZNFXHOQZVFK-ODIFPOPNSA-N 2 1 295.471 2.288 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000347063695 278225596 /nfs/dbraw/zinc/22/55/96/278225596.db2.gz CMTCPDWLQRVCJY-DZGCQCFKSA-N 2 1 254.418 2.110 20 0 CEADMP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000305179219 278297689 /nfs/dbraw/zinc/29/76/89/278297689.db2.gz VWFXYCWJAZGAGR-ONIAQPFYSA-N 2 1 290.451 2.471 20 0 CEADMP C[C@@H]([NH3+])CC[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000414818542 278308241 /nfs/dbraw/zinc/30/82/41/278308241.db2.gz FJQXMCRVBOIIDT-VHSXEESVSA-N 2 1 253.415 2.095 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000361216632 288076427 /nfs/dbraw/zinc/07/64/27/288076427.db2.gz NNLPLHUJRUFOJF-UGUYLWEFSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351546731 279023832 /nfs/dbraw/zinc/02/38/32/279023832.db2.gz ZJZBHARFOIKMME-HOCLYGCPSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351546731 279023835 /nfs/dbraw/zinc/02/38/35/279023835.db2.gz ZJZBHARFOIKMME-HOCLYGCPSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351546731 279023838 /nfs/dbraw/zinc/02/38/38/279023838.db2.gz ZJZBHARFOIKMME-HOCLYGCPSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351546731 279023840 /nfs/dbraw/zinc/02/38/40/279023840.db2.gz ZJZBHARFOIKMME-HOCLYGCPSA-N 2 1 268.445 2.200 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCO[C@@H](C)C2)C1 ZINC000352610185 279036581 /nfs/dbraw/zinc/03/65/81/279036581.db2.gz ZBWDDJBWCOTAIH-ZNMIVQPWSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCO[C@@H](C)C2)C1 ZINC000352610185 279036582 /nfs/dbraw/zinc/03/65/82/279036582.db2.gz ZBWDDJBWCOTAIH-ZNMIVQPWSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@@H](C)C2)C1 ZINC000352610185 279036585 /nfs/dbraw/zinc/03/65/85/279036585.db2.gz ZBWDDJBWCOTAIH-ZNMIVQPWSA-N 2 1 254.418 2.075 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC000249149432 279036787 /nfs/dbraw/zinc/03/67/87/279036787.db2.gz XJLRKODHRABGJL-GOEBONIOSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000249149432 279036788 /nfs/dbraw/zinc/03/67/88/279036788.db2.gz XJLRKODHRABGJL-GOEBONIOSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000249149432 279036790 /nfs/dbraw/zinc/03/67/90/279036790.db2.gz XJLRKODHRABGJL-GOEBONIOSA-N 2 1 268.445 2.201 20 0 CEADMP CCN(CC)C(=O)C[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000360957121 279121057 /nfs/dbraw/zinc/12/10/57/279121057.db2.gz OGEWACKJMQQROV-HOTGVXAUSA-N 2 1 297.487 2.345 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000121651897 279257043 /nfs/dbraw/zinc/25/70/43/279257043.db2.gz CFUTYXYGMZVVAQ-ZBFHGGJFSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000121651897 279257047 /nfs/dbraw/zinc/25/70/47/279257047.db2.gz CFUTYXYGMZVVAQ-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121025921 279262428 /nfs/dbraw/zinc/26/24/28/279262428.db2.gz VYWNBOXYKMVGOT-KFWWJZLASA-N 2 1 264.413 2.018 20 0 CEADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274963028 279312883 /nfs/dbraw/zinc/31/28/83/279312883.db2.gz XACLFBMAEZFUNJ-CHWSQXEVSA-N 2 1 296.846 2.022 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000311909740 279372770 /nfs/dbraw/zinc/37/27/70/279372770.db2.gz SABZRYOADXZMHG-DAXOMENPSA-N 2 1 261.413 2.450 20 0 CEADMP FC(F)(F)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000312326624 279441516 /nfs/dbraw/zinc/44/15/16/279441516.db2.gz YTAIGJGYXPEBID-WCQYABFASA-N 2 1 292.345 2.313 20 0 CEADMP [NH3+]CCC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000070188364 279660105 /nfs/dbraw/zinc/66/01/05/279660105.db2.gz VNRUBMQPJCRUNK-UHFFFAOYSA-N 2 1 292.408 2.359 20 0 CEADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[NH+](CC)CC ZINC000345792238 280078893 /nfs/dbraw/zinc/07/88/93/280078893.db2.gz CGMLRPNPRQYIEI-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CC[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC ZINC000412976682 280140524 /nfs/dbraw/zinc/14/05/24/280140524.db2.gz JWRLTPWSEWSBKS-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP Cc1[nH+]ccc(N[C@H]2CCn3cc[nH+]c3C2)c1Cl ZINC000334300474 280185917 /nfs/dbraw/zinc/18/59/17/280185917.db2.gz UQJFHKMJGUYTKE-JTQLQIEISA-N 2 1 262.744 2.089 20 0 CEADMP Cc1[nH+]ccc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1Cl ZINC000355677414 280186035 /nfs/dbraw/zinc/18/60/35/280186035.db2.gz UNFMYXCZVOIPAB-GHMZBOCLSA-N 2 1 253.777 2.360 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000245432309 280239914 /nfs/dbraw/zinc/23/99/14/280239914.db2.gz ONXUXEKDNRSUKQ-HOTGVXAUSA-N 2 1 267.461 2.134 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000247069802 280319637 /nfs/dbraw/zinc/31/96/37/280319637.db2.gz OEGWBJAPOOIZLI-PMPSAXMXSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000247069802 280319638 /nfs/dbraw/zinc/31/96/38/280319638.db2.gz OEGWBJAPOOIZLI-PMPSAXMXSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000247069802 280319639 /nfs/dbraw/zinc/31/96/39/280319639.db2.gz OEGWBJAPOOIZLI-PMPSAXMXSA-N 2 1 267.461 2.038 20 0 CEADMP Cc1nccn1CCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000248005356 280341548 /nfs/dbraw/zinc/34/15/48/280341548.db2.gz KTRYEUFYFVFJLC-IJEWVQPXSA-N 2 1 278.444 2.290 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000248005356 280341549 /nfs/dbraw/zinc/34/15/49/280341549.db2.gz KTRYEUFYFVFJLC-IJEWVQPXSA-N 3 1 278.444 2.290 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000248005356 280341550 /nfs/dbraw/zinc/34/15/50/280341550.db2.gz KTRYEUFYFVFJLC-IJEWVQPXSA-N 3 1 278.444 2.290 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccc(C)cc2)[C@@H](C)C1 ZINC000248886025 280371556 /nfs/dbraw/zinc/37/15/56/280371556.db2.gz XUAHGAJWRVBUTH-JQHSSLGASA-N 2 1 290.451 2.218 20 0 CEADMP C[C@H](CCC1CC1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000249057308 280381900 /nfs/dbraw/zinc/38/19/00/280381900.db2.gz XUNBNFFMNYKMQQ-ZBFHGGJFSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000423010216 280991309 /nfs/dbraw/zinc/99/13/09/280991309.db2.gz FWEDKJQAXAONRQ-SUMWQHHRSA-N 2 1 258.409 2.379 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423031498 281001987 /nfs/dbraw/zinc/00/19/87/281001987.db2.gz LCMUGUZBHJEWBL-UKRRQHHQSA-N 2 1 284.407 2.268 20 0 CEADMP CN(C)CC1(C[NH2+]C2CCC(C[NH3+])CC2)CCCC1 ZINC000423033012 281003785 /nfs/dbraw/zinc/00/37/85/281003785.db2.gz GCFFPBNADSZKPN-UHFFFAOYSA-N 2 1 267.461 2.216 20 0 CEADMP C[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCC[NH2+]1 ZINC000423050798 281010862 /nfs/dbraw/zinc/01/08/62/281010862.db2.gz ZJFSSYCTTPVPNN-KLZNWCGWSA-N 2 1 279.472 2.370 20 0 CEADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423054435 281013138 /nfs/dbraw/zinc/01/31/38/281013138.db2.gz UKJKIVFOGKJPJW-QPSCCSFWSA-N 2 1 254.418 2.310 20 0 CEADMP C[C@H]([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000423162803 281021343 /nfs/dbraw/zinc/02/13/43/281021343.db2.gz QFWLWZRVFOOLLQ-RDBSUJKOSA-N 2 1 254.443 2.204 20 0 CEADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)C[NH3+])CC3 ZINC000414943044 281034678 /nfs/dbraw/zinc/03/46/78/281034678.db2.gz LATQYOIQOKFFBA-NWDGAFQWSA-N 2 1 257.381 2.270 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000423435400 281040543 /nfs/dbraw/zinc/04/05/43/281040543.db2.gz DTWBEDPNGBMUPM-AVGNSLFASA-N 2 1 258.369 2.259 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423435614 281041132 /nfs/dbraw/zinc/04/11/32/281041132.db2.gz LFZPLBSGVDOLDW-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]([NH3+])CC)c2ccccc21 ZINC000423464016 281047587 /nfs/dbraw/zinc/04/75/87/281047587.db2.gz LSGIECMKJJNLTC-DAXOMENPSA-N 2 1 290.407 2.495 20 0 CEADMP N[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000423465278 281048757 /nfs/dbraw/zinc/04/87/57/281048757.db2.gz HMXGTQQMGHQSJY-UAXWRAGISA-N 2 1 259.397 2.238 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423465660 281049027 /nfs/dbraw/zinc/04/90/27/281049027.db2.gz MXIMDPIMKCFMSG-HOTGVXAUSA-N 2 1 287.411 2.045 20 0 CEADMP Cc1cccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c1C ZINC000423529230 281062879 /nfs/dbraw/zinc/06/28/79/281062879.db2.gz XKKHJICUTMJIRT-LSDHHAIUSA-N 2 1 262.397 2.333 20 0 CEADMP COCc1nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cs1 ZINC000424301657 281144070 /nfs/dbraw/zinc/14/40/70/281144070.db2.gz XXRZTUPSGOSHLB-GFCCVEGCSA-N 2 1 295.452 2.254 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1ccn(C(F)F)n1)CC[NH2+]CC2 ZINC000424387072 281155448 /nfs/dbraw/zinc/15/54/48/281155448.db2.gz YBNOFANMDLNZIE-NSHDSACASA-N 2 1 284.354 2.242 20 0 CEADMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CCCCCC[NH3+] ZINC000370767664 281184258 /nfs/dbraw/zinc/18/42/58/281184258.db2.gz VFMXRZBTPBBQJK-JKSUJKDBSA-N 2 1 295.471 2.371 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429319642 281234775 /nfs/dbraw/zinc/23/47/75/281234775.db2.gz SBQQBIXQZIWJGM-CQSZACIVSA-N 2 1 271.364 2.044 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000346838136 281246919 /nfs/dbraw/zinc/24/69/19/281246919.db2.gz QMQUWTUKXQIXOK-JKSUJKDBSA-N 2 1 288.439 2.123 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000346838136 281246920 /nfs/dbraw/zinc/24/69/20/281246920.db2.gz QMQUWTUKXQIXOK-JKSUJKDBSA-N 3 1 288.439 2.123 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000346838136 281246921 /nfs/dbraw/zinc/24/69/21/281246921.db2.gz QMQUWTUKXQIXOK-JKSUJKDBSA-N 3 1 288.439 2.123 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1nc2ccccc2n1C ZINC000430642935 281272838 /nfs/dbraw/zinc/27/28/38/281272838.db2.gz VZJSVQATAFZHHR-HIFRSBDPSA-N 2 1 286.423 2.318 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1nc2ccccc2n1C ZINC000430642935 281272840 /nfs/dbraw/zinc/27/28/40/281272840.db2.gz VZJSVQATAFZHHR-HIFRSBDPSA-N 2 1 286.423 2.318 20 0 CEADMP CO[C@H](C)c1nc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cs1 ZINC000430927182 281281485 /nfs/dbraw/zinc/28/14/85/281281485.db2.gz QDPKSDRPDWUFOC-GHMZBOCLSA-N 2 1 283.441 2.410 20 0 CEADMP COC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000433006249 281359041 /nfs/dbraw/zinc/35/90/41/281359041.db2.gz PCHGIJPSWFQRTN-GJZGRUSLSA-N 2 1 284.444 2.033 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000435379158 281386474 /nfs/dbraw/zinc/38/64/74/281386474.db2.gz LGGBSFSDEWBDAW-FPMFFAJLSA-N 2 1 286.379 2.147 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435393006 281388320 /nfs/dbraw/zinc/38/83/20/281388320.db2.gz DKECYETWXAZNDX-OAHLLOKOSA-N 2 1 297.402 2.441 20 0 CEADMP Cc1cc[nH+]c(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000333469763 281454014 /nfs/dbraw/zinc/45/40/14/281454014.db2.gz APWLSKXJELMGHW-GDBMZVCRSA-N 2 1 275.396 2.113 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CCOCC1 ZINC000337376745 282045158 /nfs/dbraw/zinc/04/51/58/282045158.db2.gz HBLLWSWWGYPTNU-RRFJBIMHSA-N 2 1 266.429 2.266 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(C)c3)C2)CC1 ZINC000449023529 282072250 /nfs/dbraw/zinc/07/22/50/282072250.db2.gz RPDHPKYSEQVQIG-MRXNPFEDSA-N 2 1 293.480 2.268 20 0 CEADMP CC1CCC(O)(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000157183427 289209218 /nfs/dbraw/zinc/20/92/18/289209218.db2.gz LJKWVDFDUDOEFY-FYRZTWFESA-N 2 1 268.445 2.342 20 0 CEADMP CC1CCC(O)(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000157183427 289209221 /nfs/dbraw/zinc/20/92/21/289209221.db2.gz LJKWVDFDUDOEFY-FYRZTWFESA-N 2 1 268.445 2.342 20 0 CEADMP CC1CCC(O)(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000157183427 289209222 /nfs/dbraw/zinc/20/92/22/289209222.db2.gz LJKWVDFDUDOEFY-FYRZTWFESA-N 2 1 268.445 2.342 20 0 CEADMP CC1CCC(O)(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000157183427 289209223 /nfs/dbraw/zinc/20/92/23/289209223.db2.gz LJKWVDFDUDOEFY-FYRZTWFESA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158257520 289231204 /nfs/dbraw/zinc/23/12/04/289231204.db2.gz YOFHDUBCQGTIRW-CABCVRRESA-N 2 1 299.422 2.260 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](COC)Cc2ccccc2)CC1 ZINC000159295474 289250744 /nfs/dbraw/zinc/25/07/44/289250744.db2.gz LLJBCUYLUMBTHV-KRWDZBQOSA-N 2 1 276.424 2.318 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000305655979 289272650 /nfs/dbraw/zinc/27/26/50/289272650.db2.gz WELBPURZHFNKTH-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000305655979 289272653 /nfs/dbraw/zinc/27/26/53/289272653.db2.gz WELBPURZHFNKTH-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP C1CC1[NH+]1CCC(N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000459403605 290138564 /nfs/dbraw/zinc/13/85/64/290138564.db2.gz HUJYPRVBMCQJRG-HNNXBMFYSA-N 2 1 277.456 2.220 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000459408170 290139987 /nfs/dbraw/zinc/13/99/87/290139987.db2.gz MTAWKARVMPBADN-UHFFFAOYSA-N 2 1 297.406 2.374 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000459497996 290164944 /nfs/dbraw/zinc/16/49/44/290164944.db2.gz AGCZQMKHWVJAGF-MRXNPFEDSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@H]2CCSC2)C1 ZINC000377836069 290180312 /nfs/dbraw/zinc/18/03/12/290180312.db2.gz YPEMGJSYVYBWCD-MGPQQGTHSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@H]2CCSC2)C1 ZINC000377836069 290180315 /nfs/dbraw/zinc/18/03/15/290180315.db2.gz YPEMGJSYVYBWCD-MGPQQGTHSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C[C@H]2CCSC2)C1 ZINC000377836069 290180320 /nfs/dbraw/zinc/18/03/20/290180320.db2.gz YPEMGJSYVYBWCD-MGPQQGTHSA-N 2 1 254.443 2.156 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(C2CC2)nc1 ZINC000459566899 290181362 /nfs/dbraw/zinc/18/13/62/290181362.db2.gz VAYPPXIHAJMZDY-UHFFFAOYSA-N 2 1 285.395 2.381 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(C2CC2)nc1 ZINC000459566899 290181364 /nfs/dbraw/zinc/18/13/64/290181364.db2.gz VAYPPXIHAJMZDY-UHFFFAOYSA-N 2 1 285.395 2.381 20 0 CEADMP COCc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000459739599 290222974 /nfs/dbraw/zinc/22/29/74/290222974.db2.gz SXJXLCKOFCOSPH-CYBMUJFWSA-N 2 1 266.385 2.248 20 0 CEADMP CCn1nc(C)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000459744752 290224652 /nfs/dbraw/zinc/22/46/52/290224652.db2.gz XTYQHNMBDDLVFS-OAHLLOKOSA-N 2 1 278.444 2.341 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCOC1 ZINC000459794311 290243098 /nfs/dbraw/zinc/24/30/98/290243098.db2.gz UIQWGYNKXWSGCC-KKUMJFAQSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[C@@H]([NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1)C1CCC1 ZINC000459815346 290247935 /nfs/dbraw/zinc/24/79/35/290247935.db2.gz YENBJGIPEVGGOU-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(O)(CC)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000471788385 290283606 /nfs/dbraw/zinc/28/36/06/290283606.db2.gz PYRIPZGGQDTOCL-KBPBESRZSA-N 2 1 254.418 2.144 20 0 CEADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H]1CC1(C)C ZINC000487319117 290342152 /nfs/dbraw/zinc/34/21/52/290342152.db2.gz IOYFHKGHPWPTEG-ZBFHGGJFSA-N 2 1 281.488 2.284 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1CCSC1 ZINC000487319313 290342203 /nfs/dbraw/zinc/34/22/03/290342203.db2.gz NTRATJLRPLYVHF-ZDUSSCGKSA-N 2 1 253.415 2.314 20 0 CEADMP COc1ccc([C@@H](CO)[N@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000270438656 295213920 /nfs/dbraw/zinc/21/39/20/295213920.db2.gz KOKQQXRCUFGKLX-NVXWUHKLSA-N 2 1 292.423 2.145 20 0 CEADMP COc1ccc([C@@H](CO)[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000270438656 295213921 /nfs/dbraw/zinc/21/39/21/295213921.db2.gz KOKQQXRCUFGKLX-NVXWUHKLSA-N 2 1 292.423 2.145 20 0 CEADMP COc1ccc([C@@H](CO)[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000270438656 295213922 /nfs/dbraw/zinc/21/39/22/295213922.db2.gz KOKQQXRCUFGKLX-NVXWUHKLSA-N 2 1 292.423 2.145 20 0 CEADMP COc1ccc([C@@H](CO)[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000270438656 295213924 /nfs/dbraw/zinc/21/39/24/295213924.db2.gz KOKQQXRCUFGKLX-NVXWUHKLSA-N 2 1 292.423 2.145 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000414716562 297399798 /nfs/dbraw/zinc/39/97/98/297399798.db2.gz WWYBILGDQZMMPL-ZACQAIPSSA-N 3 1 279.472 2.325 20 0 CEADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530177190 298045591 /nfs/dbraw/zinc/04/55/91/298045591.db2.gz IXTLVWFLTBMCFL-UKRRQHHQSA-N 2 1 287.407 2.278 20 0 CEADMP CC[C@H]([NH2+]CCc1ccc(OC)nc1)[C@@H]1CCCC[NH2+]1 ZINC000530218100 298053629 /nfs/dbraw/zinc/05/36/29/298053629.db2.gz FBNAZDLBCQYINO-GJZGRUSLSA-N 2 1 277.412 2.143 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(CO)ccc1F ZINC000530219492 298054554 /nfs/dbraw/zinc/05/45/54/298054554.db2.gz PYPHGBVVSGFQNP-AWEZNQCLSA-N 2 1 266.360 2.021 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(CO)ccc1F ZINC000530219492 298054555 /nfs/dbraw/zinc/05/45/55/298054555.db2.gz PYPHGBVVSGFQNP-AWEZNQCLSA-N 2 1 266.360 2.021 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2c(c1)COC2 ZINC000530513314 298075639 /nfs/dbraw/zinc/07/56/39/298075639.db2.gz FYCDTCCCYYIERR-LBPRGKRZSA-N 2 1 271.364 2.344 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1C ZINC000531965601 298126948 /nfs/dbraw/zinc/12/69/48/298126948.db2.gz DJEYXVGQBUUKRC-BFQNTYOBSA-N 2 1 278.444 2.338 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1C ZINC000531965601 298126950 /nfs/dbraw/zinc/12/69/50/298126950.db2.gz DJEYXVGQBUUKRC-BFQNTYOBSA-N 2 1 278.444 2.338 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2OC)[C@H](C)C1 ZINC000532203711 298135599 /nfs/dbraw/zinc/13/55/99/298135599.db2.gz ATOLKFTXKJIRDW-CABCVRRESA-N 2 1 292.423 2.394 20 0 CEADMP CC[C@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000532228663 298136536 /nfs/dbraw/zinc/13/65/36/298136536.db2.gz JRFGCNIQEGVDOK-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc2c(c1)OCCO2 ZINC000536609606 298200618 /nfs/dbraw/zinc/20/06/18/298200618.db2.gz XIMYLLWIJSICKI-OAHLLOKOSA-N 2 1 290.407 2.374 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc2c(c1)OCCO2 ZINC000536609606 298200620 /nfs/dbraw/zinc/20/06/20/298200620.db2.gz XIMYLLWIJSICKI-OAHLLOKOSA-N 2 1 290.407 2.374 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc2c(c1)OCCO2 ZINC000536609606 298200622 /nfs/dbraw/zinc/20/06/22/298200622.db2.gz XIMYLLWIJSICKI-OAHLLOKOSA-N 2 1 290.407 2.374 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc2c(c1)OCCO2 ZINC000536609606 298200624 /nfs/dbraw/zinc/20/06/24/298200624.db2.gz XIMYLLWIJSICKI-OAHLLOKOSA-N 2 1 290.407 2.374 20 0 CEADMP CC[NH+]1CCC(N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000539299801 298246544 /nfs/dbraw/zinc/24/65/44/298246544.db2.gz YYUINTIWWHDKTE-QGZVFWFLSA-N 2 1 273.424 2.247 20 0 CEADMP CC[NH+]1CCC(N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000539299801 298246547 /nfs/dbraw/zinc/24/65/47/298246547.db2.gz YYUINTIWWHDKTE-QGZVFWFLSA-N 2 1 273.424 2.247 20 0 CEADMP C[C@H](NCC[C@H]1CCCC[N@H+]1C)c1nnc2ccccn21 ZINC000543518190 298311031 /nfs/dbraw/zinc/31/10/31/298311031.db2.gz FZEAFKZLWDRLDD-UONOGXRCSA-N 2 1 287.411 2.254 20 0 CEADMP C[C@H](NCC[C@@H]1CCCC[N@H+]1C)c1nnc2ccccn21 ZINC000543518188 298311249 /nfs/dbraw/zinc/31/12/49/298311249.db2.gz FZEAFKZLWDRLDD-KBPBESRZSA-N 2 1 287.411 2.254 20 0 CEADMP CC(C)[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000566567801 299003961 /nfs/dbraw/zinc/00/39/61/299003961.db2.gz XRQSWLOTIRHOOJ-QGZVFWFLSA-N 2 1 274.408 2.189 20 0 CEADMP CC(C)[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000566567801 299003962 /nfs/dbraw/zinc/00/39/62/299003962.db2.gz XRQSWLOTIRHOOJ-QGZVFWFLSA-N 2 1 274.408 2.189 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566854999 299026600 /nfs/dbraw/zinc/02/66/00/299026600.db2.gz HWPHBXXBYUZHJE-GOEBONIOSA-N 2 1 274.408 2.154 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566854999 299026603 /nfs/dbraw/zinc/02/66/03/299026603.db2.gz HWPHBXXBYUZHJE-GOEBONIOSA-N 2 1 274.408 2.154 20 0 CEADMP Cc1nc(CNCCC[N@@H+]2CCCC[C@H]2C)[nH]c1C ZINC000566984667 299034190 /nfs/dbraw/zinc/03/41/90/299034190.db2.gz PEJSINGFSRCGLM-GFCCVEGCSA-N 2 1 264.417 2.381 20 0 CEADMP CC[NH+]1CCC(NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000567320674 299051807 /nfs/dbraw/zinc/05/18/07/299051807.db2.gz JVCDTNSHQNJEGN-INIZCTEOSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C[C@@H](c2ccccc2)C1 ZINC000347530914 312860843 /nfs/dbraw/zinc/86/08/43/312860843.db2.gz VIZYQZCQLTZULX-DKIMLUQUSA-N 2 1 290.451 2.471 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000515654192 313075247 /nfs/dbraw/zinc/07/52/47/313075247.db2.gz IEWDQASLOTYVTA-QKPAOTATSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOCC(F)F)CC1 ZINC000527049243 313164334 /nfs/dbraw/zinc/16/43/34/313164334.db2.gz KRJACVMVEXPLDA-UHFFFAOYSA-N 2 1 278.387 2.320 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1COC1 ZINC000528025879 313227765 /nfs/dbraw/zinc/22/77/65/313227765.db2.gz PDJGHDBNEOEAII-RHSMWYFYSA-N 2 1 274.408 2.133 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C1CCOCC1 ZINC000532474859 313349634 /nfs/dbraw/zinc/34/96/34/313349634.db2.gz PUIFPLKMGQPVHV-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1CCCC[C@@H]1CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000571316300 314084799 /nfs/dbraw/zinc/08/47/99/314084799.db2.gz UMZAYSVJYDHHCY-FMKPAKJESA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1CCCC[C@@H]1CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000571316300 314084800 /nfs/dbraw/zinc/08/48/00/314084800.db2.gz UMZAYSVJYDHHCY-FMKPAKJESA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1CCCC[C@@H]1CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000571316301 314085146 /nfs/dbraw/zinc/08/51/46/314085146.db2.gz UMZAYSVJYDHHCY-IIAWOOMASA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1CCCC[C@@H]1CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000571316301 314085150 /nfs/dbraw/zinc/08/51/50/314085150.db2.gz UMZAYSVJYDHHCY-IIAWOOMASA-N 2 1 268.445 2.248 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)CCC2 ZINC000575175083 314211833 /nfs/dbraw/zinc/21/18/33/314211833.db2.gz DGQZOZBDVZPLPA-SJLPKXTDSA-N 2 1 288.435 2.417 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)CCC2 ZINC000575175083 314211835 /nfs/dbraw/zinc/21/18/35/314211835.db2.gz DGQZOZBDVZPLPA-SJLPKXTDSA-N 2 1 288.435 2.417 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cncnc1C ZINC000575195565 314215000 /nfs/dbraw/zinc/21/50/00/314215000.db2.gz NMAKTTBMGVLBCI-NSHDSACASA-N 2 1 259.357 2.031 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000576382385 314270164 /nfs/dbraw/zinc/27/01/64/314270164.db2.gz BXMFJGUQQBZFEE-HNNXBMFYSA-N 2 1 297.487 2.486 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000576382385 314270166 /nfs/dbraw/zinc/27/01/66/314270166.db2.gz BXMFJGUQQBZFEE-HNNXBMFYSA-N 2 1 297.487 2.486 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000576382385 314270169 /nfs/dbraw/zinc/27/01/69/314270169.db2.gz BXMFJGUQQBZFEE-HNNXBMFYSA-N 2 1 297.487 2.486 20 0 CEADMP Cc1ccccc1CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000576466075 314278610 /nfs/dbraw/zinc/27/86/10/314278610.db2.gz NDIGMOPHFNNOED-SJORKVTESA-N 2 1 258.409 2.469 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1CO ZINC000576814691 314312895 /nfs/dbraw/zinc/31/28/95/314312895.db2.gz NQXPEWFKOCHOEO-KSSFIOAISA-N 2 1 284.403 2.227 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000577518261 314386695 /nfs/dbraw/zinc/38/66/95/314386695.db2.gz SLSXWVWMZQNRPC-WDMOLILDSA-N 2 1 297.830 2.185 20 0 CEADMP C[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C[NH+]1CCCCC1 ZINC000577858952 314421034 /nfs/dbraw/zinc/42/10/34/314421034.db2.gz FDURGDLRWALHGF-VXGBXAGGSA-N 2 1 282.350 2.011 20 0 CEADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000191977830 321791844 /nfs/dbraw/zinc/79/18/44/321791844.db2.gz LXZGVEQGVVMRMN-UHFFFAOYSA-N 2 1 268.364 2.107 20 0 CEADMP Cc1noc(C)c1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000191978590 321792145 /nfs/dbraw/zinc/79/21/45/321792145.db2.gz RTBFJHXCHCIDGU-UHFFFAOYSA-N 2 1 286.379 2.317 20 0 CEADMP Cc1cccc2c1cc[nH+]c2N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000580551141 322325420 /nfs/dbraw/zinc/32/54/20/322325420.db2.gz BSMBVAKGGKDVFS-BETUJISGSA-N 2 1 253.349 2.199 20 0 CEADMP CN(CCC[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000581307579 322385867 /nfs/dbraw/zinc/38/58/67/322385867.db2.gz VPSOFBMAEULSLE-INIZCTEOSA-N 2 1 275.440 2.396 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000581318455 322386893 /nfs/dbraw/zinc/38/68/93/322386893.db2.gz TUASTGFKRAJVAQ-ZNMIVQPWSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000581318455 322386895 /nfs/dbraw/zinc/38/68/95/322386895.db2.gz TUASTGFKRAJVAQ-ZNMIVQPWSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000581318455 322386897 /nfs/dbraw/zinc/38/68/97/322386897.db2.gz TUASTGFKRAJVAQ-ZNMIVQPWSA-N 2 1 256.434 2.200 20 0 CEADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000582481490 322475974 /nfs/dbraw/zinc/47/59/74/322475974.db2.gz KYWMREIMBRIYGQ-DZGCQCFKSA-N 2 1 275.396 2.054 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000396413304 329319994 /nfs/dbraw/zinc/31/99/94/329319994.db2.gz IIBTWXJHGIULEP-PNESKVBLSA-N 2 1 294.361 2.154 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](C)C[NH+](C)C)C1 ZINC000558261091 327084143 /nfs/dbraw/zinc/08/41/43/327084143.db2.gz XJGHZLOZDAGUGP-ZMSDIMECSA-N 2 1 275.440 2.362 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](C)C[NH+](C)C)C1 ZINC000558261091 327084144 /nfs/dbraw/zinc/08/41/44/327084144.db2.gz XJGHZLOZDAGUGP-ZMSDIMECSA-N 2 1 275.440 2.362 20 0 CEADMP C[NH2+]CCC[NH+]1CCC(Oc2ccc(OC)cc2)CC1 ZINC000584292401 327223693 /nfs/dbraw/zinc/22/36/93/327223693.db2.gz PCOOXKDPVIOJLT-UHFFFAOYSA-N 2 1 278.396 2.148 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000155826637 519644335 /nfs/dbraw/zinc/64/43/35/519644335.db2.gz XZRUJDWWSHYWQV-HOTGVXAUSA-N 3 1 269.477 2.425 20 0 CEADMP CC(C)OCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000147693491 519762691 /nfs/dbraw/zinc/76/26/91/519762691.db2.gz IUSVMZJUCJRKFY-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149778 520300623 /nfs/dbraw/zinc/30/06/23/520300623.db2.gz HMHKVLRKKSEGIW-LSDHHAIUSA-N 2 1 283.460 2.275 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149778 520300642 /nfs/dbraw/zinc/30/06/42/520300642.db2.gz HMHKVLRKKSEGIW-LSDHHAIUSA-N 2 1 283.460 2.275 20 0 CEADMP C[C@@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)CC[N@H+]1C ZINC000357881807 533942739 /nfs/dbraw/zinc/94/27/39/533942739.db2.gz RZGIDCQBCCGVQX-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528763089 518193444 /nfs/dbraw/zinc/19/34/44/518193444.db2.gz MGRDPHLVAWPAGC-CXTNEJHOSA-N 2 1 265.401 2.373 20 0 CEADMP Brc1c[nH+]ccc1NCC[C@H]1CCC[NH2+]1 ZINC000159297035 518233551 /nfs/dbraw/zinc/23/35/51/518233551.db2.gz HIRZIVRJCMQQRA-SECBINFHSA-N 2 1 270.174 2.398 20 0 CEADMP CC(C)[NH+](CCCN[C@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000155826637 519644333 /nfs/dbraw/zinc/64/43/33/519644333.db2.gz XZRUJDWWSHYWQV-HOTGVXAUSA-N 2 1 269.477 2.425 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C(C)C ZINC000155826637 519644334 /nfs/dbraw/zinc/64/43/34/519644334.db2.gz XZRUJDWWSHYWQV-HOTGVXAUSA-N 3 1 269.477 2.425 20 0 CEADMP CC(C)CN1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000055083683 519725483 /nfs/dbraw/zinc/72/54/83/519725483.db2.gz FBAJEEHIJCSAHP-UHFFFAOYSA-N 2 1 255.450 2.169 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000365189093 520603961 /nfs/dbraw/zinc/60/39/61/520603961.db2.gz JHHWCAIRMILPCD-MRXNPFEDSA-N 2 1 278.444 2.470 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000365189093 520603969 /nfs/dbraw/zinc/60/39/69/520603969.db2.gz JHHWCAIRMILPCD-MRXNPFEDSA-N 2 1 278.444 2.470 20 0 CEADMP CCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000151044240 520695247 /nfs/dbraw/zinc/69/52/47/520695247.db2.gz PAZIFGXPYMCLQJ-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1occc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000414445138 534566417 /nfs/dbraw/zinc/56/64/17/534566417.db2.gz WAMBQRBPHSDJAS-UHFFFAOYSA-N 2 1 279.428 2.046 20 0 CEADMP Cc1occc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000414445138 534566423 /nfs/dbraw/zinc/56/64/23/534566423.db2.gz WAMBQRBPHSDJAS-UHFFFAOYSA-N 2 1 279.428 2.046 20 0 CEADMP Cc1occc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000414392696 534571669 /nfs/dbraw/zinc/57/16/69/534571669.db2.gz CHOCWLKUCLTCKG-OWCLPIDISA-N 2 1 278.396 2.272 20 0 CEADMP Cc1occc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000414392696 534571672 /nfs/dbraw/zinc/57/16/72/534571672.db2.gz CHOCWLKUCLTCKG-OWCLPIDISA-N 2 1 278.396 2.272 20 0 CEADMP CC[N@H+]1CCC[C@@H](Nc2cc[nH+]cc2-c2cccnc2)C1 ZINC000367723315 521618247 /nfs/dbraw/zinc/61/82/47/521618247.db2.gz YGYIOJQLDMHGEG-OAHLLOKOSA-N 2 1 282.391 2.462 20 0 CEADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCCCO1 ZINC000050953260 522727420 /nfs/dbraw/zinc/72/74/20/522727420.db2.gz OQFZPGRAHRSBHO-OAHLLOKOSA-N 2 1 254.418 2.267 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1nccn1C ZINC000182826072 522846847 /nfs/dbraw/zinc/84/68/47/522846847.db2.gz WQWSMMSUFSRUEW-TZMCWYRMSA-N 2 1 275.400 2.302 20 0 CEADMP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCn1cc[nH+]c1C ZINC000363458933 523314610 /nfs/dbraw/zinc/31/46/10/523314610.db2.gz DITYKDXWCVLLBW-JKSUJKDBSA-N 2 1 276.428 2.140 20 0 CEADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCCn1cc[nH+]c1C ZINC000363458933 523314617 /nfs/dbraw/zinc/31/46/17/523314617.db2.gz DITYKDXWCVLLBW-JKSUJKDBSA-N 2 1 276.428 2.140 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000161701703 523438849 /nfs/dbraw/zinc/43/88/49/523438849.db2.gz KFMKTKDAZADKCY-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CC[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000161701703 523438841 /nfs/dbraw/zinc/43/88/41/523438841.db2.gz KFMKTKDAZADKCY-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCn1cc[nH+]c1C ZINC000363458932 523481168 /nfs/dbraw/zinc/48/11/68/523481168.db2.gz DITYKDXWCVLLBW-HZPDHXFCSA-N 2 1 276.428 2.140 20 0 CEADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCCn1cc[nH+]c1C ZINC000363458932 523481171 /nfs/dbraw/zinc/48/11/71/523481171.db2.gz DITYKDXWCVLLBW-HZPDHXFCSA-N 2 1 276.428 2.140 20 0 CEADMP COc1ccc(C)cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000049553909 523813036 /nfs/dbraw/zinc/81/30/36/523813036.db2.gz WMQHLXJCWDQLEF-CYBMUJFWSA-N 2 1 250.386 2.433 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@@H]1C[NH3+] ZINC000163875395 524294386 /nfs/dbraw/zinc/29/43/86/524294386.db2.gz WDJWNKRFEYFOGH-HOCLYGCPSA-N 2 1 284.407 2.289 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cnn(C)c3)CC2)[nH+]c1 ZINC000163490091 524943300 /nfs/dbraw/zinc/94/33/00/524943300.db2.gz CASAFDLJOGRPMZ-AWEZNQCLSA-N 2 1 299.422 2.443 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3CC[C@@H]2CO)CC[N@@H+]1C ZINC000365156086 525448206 /nfs/dbraw/zinc/44/82/06/525448206.db2.gz LPFMYANBYZQKLR-GFOCRRMGSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3CC[C@@H]2CO)CC[N@H+]1C ZINC000365156086 525448212 /nfs/dbraw/zinc/44/82/12/525448212.db2.gz LPFMYANBYZQKLR-GFOCRRMGSA-N 2 1 288.435 2.355 20 0 CEADMP Cc1ccncc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000374397633 525742902 /nfs/dbraw/zinc/74/29/02/525742902.db2.gz DQSWTMBNYFMQRW-IXDOHACOSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ccncc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000374397633 525742908 /nfs/dbraw/zinc/74/29/08/525742908.db2.gz DQSWTMBNYFMQRW-IXDOHACOSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ccncc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000374397633 525742915 /nfs/dbraw/zinc/74/29/15/525742915.db2.gz DQSWTMBNYFMQRW-IXDOHACOSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ccncc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000374397633 525742920 /nfs/dbraw/zinc/74/29/20/525742920.db2.gz DQSWTMBNYFMQRW-IXDOHACOSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1c[nH]nc1C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000365653528 526025580 /nfs/dbraw/zinc/02/55/80/526025580.db2.gz DTRJYVRVCFRNRW-CQSZACIVSA-N 2 1 288.439 2.414 20 0 CEADMP Cc1cn[nH]c1C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000365653528 526025589 /nfs/dbraw/zinc/02/55/89/526025589.db2.gz DTRJYVRVCFRNRW-CQSZACIVSA-N 2 1 288.439 2.414 20 0 CEADMP Cc1cn[nH]c1C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000365653528 526025600 /nfs/dbraw/zinc/02/56/00/526025600.db2.gz DTRJYVRVCFRNRW-CQSZACIVSA-N 2 1 288.439 2.414 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358078280 526253321 /nfs/dbraw/zinc/25/33/21/526253321.db2.gz BVDOCFOLNFKMNK-MGPQQGTHSA-N 2 1 282.428 2.323 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000193980519 527814277 /nfs/dbraw/zinc/81/42/77/527814277.db2.gz KALAZFXLWJPOBA-KLHDSHLOSA-N 2 1 278.440 2.266 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)Nc1nc(C)[nH+]c(C)c1C ZINC000357775158 527981456 /nfs/dbraw/zinc/98/14/56/527981456.db2.gz NYCJVSCPUSVNCL-LLVKDONJSA-N 2 1 264.417 2.356 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)Nc1nc(C)[nH+]c(C)c1C ZINC000357775158 527981464 /nfs/dbraw/zinc/98/14/64/527981464.db2.gz NYCJVSCPUSVNCL-LLVKDONJSA-N 2 1 264.417 2.356 20 0 CEADMP CCC[N@@H+](CCOCC[NH3+])[C@@H]1CCc2ccccc21 ZINC000357105900 528101898 /nfs/dbraw/zinc/10/18/98/528101898.db2.gz OMVHMRUOYBYHBQ-MRXNPFEDSA-N 2 1 262.397 2.361 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[N@H+](CC)C[C@@H]1CC ZINC000412392760 528208139 /nfs/dbraw/zinc/20/81/39/528208139.db2.gz CLINUBBKOJCCPQ-GJZGRUSLSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC000412392760 528208143 /nfs/dbraw/zinc/20/81/43/528208143.db2.gz CLINUBBKOJCCPQ-GJZGRUSLSA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)CCC[NH3+] ZINC000417557756 528470873 /nfs/dbraw/zinc/47/08/73/528470873.db2.gz SJVRHSOUVQTBFL-CABCVRRESA-N 2 1 298.475 2.068 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418201140 528831385 /nfs/dbraw/zinc/83/13/85/528831385.db2.gz RMFTXBKPGMXVEF-AWEZNQCLSA-N 2 1 298.475 2.066 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC1([NH3+])CCCCCC1 ZINC000417448091 529341299 /nfs/dbraw/zinc/34/12/99/529341299.db2.gz SVSDXOUATXIXJJ-CQSZACIVSA-N 2 1 298.475 2.068 20 0 CEADMP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246746159 574437611 /nfs/dbraw/zinc/43/76/11/574437611.db2.gz OKNOABVVFGUDSF-BMFZPTHFSA-N 2 1 276.428 2.044 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246746159 574437612 /nfs/dbraw/zinc/43/76/12/574437612.db2.gz OKNOABVVFGUDSF-BMFZPTHFSA-N 3 1 276.428 2.044 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246746159 574437613 /nfs/dbraw/zinc/43/76/13/574437613.db2.gz OKNOABVVFGUDSF-BMFZPTHFSA-N 3 1 276.428 2.044 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000729625890 574489992 /nfs/dbraw/zinc/48/99/92/574489992.db2.gz QTCVLGDMAALGPX-HNNXBMFYSA-N 2 1 294.443 2.064 20 0 CEADMP C([NH2+]C1CCCC1)C1([NH+]2CCCC2)CCOCC1 ZINC000729686965 574491144 /nfs/dbraw/zinc/49/11/44/574491144.db2.gz NZNTUVZGYDRIQE-UHFFFAOYSA-N 2 1 252.402 2.164 20 0 CEADMP C[N@H+](C[C@H](O)c1ccc(F)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000741249286 574524867 /nfs/dbraw/zinc/52/48/67/574524867.db2.gz FRPUCMNFBQLTAO-WBMJQRKESA-N 2 1 298.377 2.272 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000741249286 574524868 /nfs/dbraw/zinc/52/48/68/574524868.db2.gz FRPUCMNFBQLTAO-WBMJQRKESA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@H](O)c1ccc(F)c(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000741249286 574524869 /nfs/dbraw/zinc/52/48/69/574524869.db2.gz FRPUCMNFBQLTAO-WBMJQRKESA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@H](O)c1ccc(F)c(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741249286 574524870 /nfs/dbraw/zinc/52/48/70/574524870.db2.gz FRPUCMNFBQLTAO-WBMJQRKESA-N 2 1 298.377 2.272 20 0 CEADMP OCC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000754795752 574605228 /nfs/dbraw/zinc/60/52/28/574605228.db2.gz OQKQHWSNJWFPFK-MJBXVCDLSA-N 2 1 280.437 2.388 20 0 CEADMP OCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000754795752 574605230 /nfs/dbraw/zinc/60/52/30/574605230.db2.gz OQKQHWSNJWFPFK-MJBXVCDLSA-N 2 1 280.437 2.388 20 0 CEADMP OCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000754795752 574605234 /nfs/dbraw/zinc/60/52/34/574605234.db2.gz OQKQHWSNJWFPFK-MJBXVCDLSA-N 2 1 280.437 2.388 20 0 CEADMP CCC[N@@H+](C)CC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000738518381 574866915 /nfs/dbraw/zinc/86/69/15/574866915.db2.gz RQXIIIIINGVDEO-UHFFFAOYSA-N 2 1 291.439 2.048 20 0 CEADMP CC(C)(C)C(=O)CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000741157097 574977611 /nfs/dbraw/zinc/97/76/11/574977611.db2.gz GBHAXDLVIYGVKV-UHFFFAOYSA-N 2 1 296.455 2.036 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741708370 574994666 /nfs/dbraw/zinc/99/46/66/574994666.db2.gz LAAHEMQTQUUYLZ-HOTGVXAUSA-N 2 1 297.487 2.440 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741708370 574994669 /nfs/dbraw/zinc/99/46/69/574994669.db2.gz LAAHEMQTQUUYLZ-HOTGVXAUSA-N 2 1 297.487 2.440 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000741708370 574994672 /nfs/dbraw/zinc/99/46/72/574994672.db2.gz LAAHEMQTQUUYLZ-HOTGVXAUSA-N 2 1 297.487 2.440 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000742370605 575017495 /nfs/dbraw/zinc/01/74/95/575017495.db2.gz DLVZAZDASNATPU-VNQPRFMTSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCCO)C[C@@H]1C ZINC000750186070 575253982 /nfs/dbraw/zinc/25/39/82/575253982.db2.gz YDCXKFOOXCOFHN-GJZGRUSLSA-N 2 1 256.434 2.344 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCCO)C[C@@H]1C ZINC000750186070 575253984 /nfs/dbraw/zinc/25/39/84/575253984.db2.gz YDCXKFOOXCOFHN-GJZGRUSLSA-N 2 1 256.434 2.344 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCCO)C[C@@H]1C ZINC000750186070 575253985 /nfs/dbraw/zinc/25/39/85/575253985.db2.gz YDCXKFOOXCOFHN-GJZGRUSLSA-N 2 1 256.434 2.344 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CC3(Cl)Cl)C2)C1 ZINC000795322106 629516888 /nfs/dbraw/zinc/51/68/88/629516888.db2.gz KTUWZLJMDHVNIW-MNOVXSKESA-N 2 1 263.212 2.208 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H]3CC3(Cl)Cl)C2)C1 ZINC000795322106 629516901 /nfs/dbraw/zinc/51/69/01/629516901.db2.gz KTUWZLJMDHVNIW-MNOVXSKESA-N 2 1 263.212 2.208 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3CC3(Cl)Cl)C2)C1 ZINC000795322106 629517001 /nfs/dbraw/zinc/51/70/01/629517001.db2.gz KTUWZLJMDHVNIW-MNOVXSKESA-N 2 1 263.212 2.208 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CC3(Cl)Cl)C2)C1 ZINC000795322106 629517125 /nfs/dbraw/zinc/51/71/25/629517125.db2.gz KTUWZLJMDHVNIW-MNOVXSKESA-N 2 1 263.212 2.208 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CCC4(CCC4)O3)C2)C1 ZINC000878646023 651150768 /nfs/dbraw/zinc/15/07/68/651150768.db2.gz TVVCNIMJDGUJSL-LSDHHAIUSA-N 2 1 264.413 2.116 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CCC4(CCC4)O3)C2)C1 ZINC000878646023 651150770 /nfs/dbraw/zinc/15/07/70/651150770.db2.gz TVVCNIMJDGUJSL-LSDHHAIUSA-N 2 1 264.413 2.116 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCC4(CCC4)O3)C2)C1 ZINC000878646023 651150765 /nfs/dbraw/zinc/15/07/65/651150765.db2.gz TVVCNIMJDGUJSL-LSDHHAIUSA-N 2 1 264.413 2.116 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000948243670 614092692 /nfs/dbraw/zinc/09/26/92/614092692.db2.gz BXHIHKUSAUUDGU-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000948243670 614092693 /nfs/dbraw/zinc/09/26/93/614092693.db2.gz BXHIHKUSAUUDGU-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948040304 614303093 /nfs/dbraw/zinc/30/30/93/614303093.db2.gz OOECVBRYRYZWOA-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974733195 614403265 /nfs/dbraw/zinc/40/32/65/614403265.db2.gz RNQPWSBTSWJZFG-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974733195 614403269 /nfs/dbraw/zinc/40/32/69/614403269.db2.gz RNQPWSBTSWJZFG-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000974733195 614403271 /nfs/dbraw/zinc/40/32/71/614403271.db2.gz RNQPWSBTSWJZFG-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000974733195 614403274 /nfs/dbraw/zinc/40/32/74/614403274.db2.gz RNQPWSBTSWJZFG-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH+](C)C(C)C)C2)C1 ZINC000972155910 614668200 /nfs/dbraw/zinc/66/82/00/614668200.db2.gz IFJPMUCKRVMQOA-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]([N@H+](C)C(C)C)C2)C1 ZINC000972155910 614668203 /nfs/dbraw/zinc/66/82/03/614668203.db2.gz IFJPMUCKRVMQOA-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]([N@@H+](C)C(C)C)C2)C1 ZINC000972155910 614668206 /nfs/dbraw/zinc/66/82/06/614668206.db2.gz IFJPMUCKRVMQOA-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942558665 614708388 /nfs/dbraw/zinc/70/83/88/614708388.db2.gz ZNAXWGUMMYUWQI-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC000960684661 614855624 /nfs/dbraw/zinc/85/56/24/614855624.db2.gz SFIRZAAUIOHJBF-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC000960684661 614855626 /nfs/dbraw/zinc/85/56/26/614855626.db2.gz SFIRZAAUIOHJBF-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC000960684661 614855628 /nfs/dbraw/zinc/85/56/28/614855628.db2.gz SFIRZAAUIOHJBF-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC)C1 ZINC000970719896 614981291 /nfs/dbraw/zinc/98/12/91/614981291.db2.gz WSFZWXGZENCQGT-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625036 615013355 /nfs/dbraw/zinc/01/33/55/615013355.db2.gz MYYHREIVJBMAKT-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940625036 615013356 /nfs/dbraw/zinc/01/33/56/615013356.db2.gz MYYHREIVJBMAKT-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940625036 615013359 /nfs/dbraw/zinc/01/33/59/615013359.db2.gz MYYHREIVJBMAKT-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001024017875 625296516 /nfs/dbraw/zinc/29/65/16/625296516.db2.gz INGNHXBUDSJUBV-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001024510010 625590297 /nfs/dbraw/zinc/59/02/97/625590297.db2.gz BHNFJKIQYLUMAH-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024510010 625590305 /nfs/dbraw/zinc/59/03/05/625590305.db2.gz BHNFJKIQYLUMAH-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024510010 625590315 /nfs/dbraw/zinc/59/03/15/625590315.db2.gz BHNFJKIQYLUMAH-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001024510010 625590319 /nfs/dbraw/zinc/59/03/19/625590319.db2.gz BHNFJKIQYLUMAH-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001024510010 625590330 /nfs/dbraw/zinc/59/03/30/625590330.db2.gz BHNFJKIQYLUMAH-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCOCC1 ZINC000235510236 625620626 /nfs/dbraw/zinc/62/06/26/625620626.db2.gz FFKVSMXPUVCREY-PRTUASRFSA-N 2 1 252.402 2.016 20 0 CEADMP CC(C)[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000395799943 623923441 /nfs/dbraw/zinc/92/34/41/623923441.db2.gz ZIPXUWSIMRGFAR-CABCVRRESA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000395799943 623923445 /nfs/dbraw/zinc/92/34/45/623923445.db2.gz ZIPXUWSIMRGFAR-CABCVRRESA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000395799943 623923448 /nfs/dbraw/zinc/92/34/48/623923448.db2.gz ZIPXUWSIMRGFAR-CABCVRRESA-N 2 1 256.434 2.198 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN(C)Cc1c(C)cccc1C ZINC000933765116 623997109 /nfs/dbraw/zinc/99/71/09/623997109.db2.gz YVOJCRRZBGUCKC-OAHLLOKOSA-N 2 1 264.413 2.048 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+](C)Cc1c(C)cccc1C ZINC000933765116 623997111 /nfs/dbraw/zinc/99/71/11/623997111.db2.gz YVOJCRRZBGUCKC-OAHLLOKOSA-N 2 1 264.413 2.048 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCC3(CCOCC3)C2)CC1 ZINC000892059037 624284374 /nfs/dbraw/zinc/28/43/74/624284374.db2.gz SCBFJXLTBCDHOR-UHFFFAOYSA-N 2 1 266.429 2.221 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000300250701 625072267 /nfs/dbraw/zinc/07/22/67/625072267.db2.gz VECYZEFAVKYJFN-HIFRSBDPSA-N 2 1 252.402 2.160 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CCO1 ZINC000926605899 625258785 /nfs/dbraw/zinc/25/87/85/625258785.db2.gz ZEPLODQLNVIRNT-AKBNIOSXSA-N 2 1 296.455 2.175 20 0 CEADMP CNc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000902079810 634452920 /nfs/dbraw/zinc/45/29/20/634452920.db2.gz ZOWBZDXTFLJZCA-CABCVRRESA-N 2 1 259.397 2.445 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]C(C)C)CC[N@H+]1C ZINC001024968108 625932778 /nfs/dbraw/zinc/93/27/78/625932778.db2.gz RQLDQGTYRMCRAQ-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C(C)(C)CO ZINC000924572559 625933726 /nfs/dbraw/zinc/93/37/26/625933726.db2.gz LELIIDFKDDQUPC-KGLIPLIRSA-N 2 1 256.434 2.248 20 0 CEADMP CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001025008750 625946571 /nfs/dbraw/zinc/94/65/71/625946571.db2.gz AMXVGDDFKPKDND-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000820807900 634534449 /nfs/dbraw/zinc/53/44/49/634534449.db2.gz SZGJVKDHFBTKHC-HILARFPUSA-N 3 1 289.467 2.218 20 0 CEADMP C(NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000820807900 634534453 /nfs/dbraw/zinc/53/44/53/634534453.db2.gz SZGJVKDHFBTKHC-HILARFPUSA-N 3 1 289.467 2.218 20 0 CEADMP C(NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000820807900 634534457 /nfs/dbraw/zinc/53/44/57/634534457.db2.gz SZGJVKDHFBTKHC-HILARFPUSA-N 3 1 289.467 2.218 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000820807900 634534461 /nfs/dbraw/zinc/53/44/61/634534461.db2.gz SZGJVKDHFBTKHC-HILARFPUSA-N 3 1 289.467 2.218 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000820807900 634534465 /nfs/dbraw/zinc/53/44/65/634534465.db2.gz SZGJVKDHFBTKHC-HILARFPUSA-N 3 1 289.467 2.218 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000820807900 634534469 /nfs/dbraw/zinc/53/44/69/634534469.db2.gz SZGJVKDHFBTKHC-HILARFPUSA-N 3 1 289.467 2.218 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000820807900 634534474 /nfs/dbraw/zinc/53/44/74/634534474.db2.gz SZGJVKDHFBTKHC-HILARFPUSA-N 3 1 289.467 2.218 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cnn(C)c1 ZINC000820810809 634537345 /nfs/dbraw/zinc/53/73/45/634537345.db2.gz FLKJCIKVGINLMU-DITUJHHDSA-N 2 1 274.412 2.229 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cnn(C)c1 ZINC000820810809 634537351 /nfs/dbraw/zinc/53/73/51/634537351.db2.gz FLKJCIKVGINLMU-DITUJHHDSA-N 2 1 274.412 2.229 20 0 CEADMP CCn1cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)nn1 ZINC000892586103 627291292 /nfs/dbraw/zinc/29/12/92/627291292.db2.gz ZSRDSDHATIODQI-CQSZACIVSA-N 2 1 279.432 2.042 20 0 CEADMP Cc1[nH+]ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1Br ZINC000892673073 627387579 /nfs/dbraw/zinc/38/75/79/627387579.db2.gz FPQDAFGIXMRDSI-GXSJLCMTSA-N 2 1 298.228 2.469 20 0 CEADMP C[C@@H]1C[C@@H](Nc2cc(N)[nH+]cc2Cl)CC[N@H+]1C ZINC000892673900 627389891 /nfs/dbraw/zinc/38/98/91/627389891.db2.gz PPCOKMMILQJDOZ-BDAKNGLRSA-N 2 1 254.765 2.212 20 0 CEADMP C[C@@H]1C[C@H](Nc2cc(N)[nH+]cc2Cl)CC[N@H+]1C ZINC000892673904 627389992 /nfs/dbraw/zinc/38/99/92/627389992.db2.gz PPCOKMMILQJDOZ-RKDXNWHRSA-N 2 1 254.765 2.212 20 0 CEADMP CC(C)[N@@H+](Cc1cccs1)C[C@H](O)C[NH+]1CCCC1 ZINC000311254416 627396530 /nfs/dbraw/zinc/39/65/30/627396530.db2.gz SSPALCDLYCTUFI-CQSZACIVSA-N 2 1 282.453 2.415 20 0 CEADMP CC(C)[N@H+](Cc1cccs1)C[C@H](O)C[NH+]1CCCC1 ZINC000311254416 627396532 /nfs/dbraw/zinc/39/65/32/627396532.db2.gz SSPALCDLYCTUFI-CQSZACIVSA-N 2 1 282.453 2.415 20 0 CEADMP C[C@H](CO)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000678045699 627693517 /nfs/dbraw/zinc/69/35/17/627693517.db2.gz OIDAGYNTVPFKGM-JKSUJKDBSA-N 2 1 268.445 2.059 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(N3CC[C@H](C[N@@H+](C)CC)C3)c12 ZINC000892730978 627733541 /nfs/dbraw/zinc/73/35/41/627733541.db2.gz MFCQGFKRLDAUEC-GFCCVEGCSA-N 2 1 287.411 2.298 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(N3CC[C@H](C[N@H+](C)CC)C3)c12 ZINC000892730978 627733545 /nfs/dbraw/zinc/73/35/45/627733545.db2.gz MFCQGFKRLDAUEC-GFCCVEGCSA-N 2 1 287.411 2.298 20 0 CEADMP Cc1nnc(CNCCCCNc2ccccn2)s1 ZINC000892869732 627821553 /nfs/dbraw/zinc/82/15/53/627821553.db2.gz BGYKQBOASYTSEW-UHFFFAOYSA-N 2 1 277.397 2.223 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cnc1F ZINC000893093996 627996376 /nfs/dbraw/zinc/99/63/76/627996376.db2.gz CIBWESPGJDBEKK-ZIAGYGMSSA-N 2 1 265.376 2.492 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000312054025 628087354 /nfs/dbraw/zinc/08/73/54/628087354.db2.gz YDNBKIYFXFZQAI-GOEBONIOSA-N 2 1 260.381 2.058 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000312054025 628087355 /nfs/dbraw/zinc/08/73/55/628087355.db2.gz YDNBKIYFXFZQAI-GOEBONIOSA-N 2 1 260.381 2.058 20 0 CEADMP Cc1noc(C)c1CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925540050 628163795 /nfs/dbraw/zinc/16/37/95/628163795.db2.gz FZWVOWNMPWDMHV-AWEZNQCLSA-N 2 1 263.385 2.098 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925542755 628174741 /nfs/dbraw/zinc/17/47/41/628174741.db2.gz OXXHEQCQSVFLHU-DOTOQJQBSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCOc1ccccc1F ZINC000925544500 628181055 /nfs/dbraw/zinc/18/10/55/628181055.db2.gz ABEHCROKSYJMPP-OCCSQVGLSA-N 2 1 266.360 2.325 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902400257 634637148 /nfs/dbraw/zinc/63/71/48/634637148.db2.gz ZOOMQIZYMMPUIO-KBPBESRZSA-N 2 1 267.461 2.132 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000925558726 628224207 /nfs/dbraw/zinc/22/42/07/628224207.db2.gz QUDJBILBXOIDCI-FZKCQIBNSA-N 2 1 279.472 2.227 20 0 CEADMP CCn1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925567193 628240089 /nfs/dbraw/zinc/24/00/89/628240089.db2.gz BGUMOAQQOBVNTE-CVEARBPZSA-N 2 1 276.428 2.161 20 0 CEADMP C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925618303 628306738 /nfs/dbraw/zinc/30/67/38/628306738.db2.gz ZCQDISOJZXGLCF-BZPMIXESSA-N 2 1 280.437 2.434 20 0 CEADMP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@@H]1COC2(CCCCC2)O1 ZINC000925635816 628334475 /nfs/dbraw/zinc/33/44/75/628334475.db2.gz PEEQZSXYZREDEB-HUUCEWRRSA-N 2 1 294.439 2.327 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925637323 628334739 /nfs/dbraw/zinc/33/47/39/628334739.db2.gz ZLMNFIFTQDOUAD-MIGQKNRLSA-N 2 1 262.397 2.480 20 0 CEADMP [NH3+]C1(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000902418591 634644706 /nfs/dbraw/zinc/64/47/06/634644706.db2.gz WWRGRCKTXLBRLP-ZDUSSCGKSA-N 2 1 295.224 2.387 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000925651362 628356833 /nfs/dbraw/zinc/35/68/33/628356833.db2.gz BEZRDDVDWUJHJX-ZOBUZTSGSA-N 2 1 292.398 2.022 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCC=CO2)CC1 ZINC000193784338 628486916 /nfs/dbraw/zinc/48/69/16/628486916.db2.gz CRVBSBNVSCEGJB-HNNXBMFYSA-N 2 1 252.402 2.485 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925684252 628489377 /nfs/dbraw/zinc/48/93/77/628489377.db2.gz FYBIVLOXZCSSFV-KGLIPLIRSA-N 2 1 267.461 2.356 20 0 CEADMP CC1(C)CCCN1CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925684252 628489379 /nfs/dbraw/zinc/48/93/79/628489379.db2.gz FYBIVLOXZCSSFV-KGLIPLIRSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)C[C@H](C)O1 ZINC000931315975 628516605 /nfs/dbraw/zinc/51/66/05/628516605.db2.gz FFDOMHBQZRSGBA-DRRXZNNHSA-N 2 1 280.456 2.464 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1OC ZINC000902472731 634664216 /nfs/dbraw/zinc/66/42/16/634664216.db2.gz GLWAMXIASZDSPN-PMOUVXMZSA-N 2 1 290.407 2.117 20 0 CEADMP C[C@@H]1C[C@@H](NCC2([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000902415185 634664348 /nfs/dbraw/zinc/66/43/48/634664348.db2.gz COVHJKXTGJIZMZ-ZBFHGGJFSA-N 2 1 273.424 2.120 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(O)cc(F)c1 ZINC000925706786 628553056 /nfs/dbraw/zinc/55/30/56/628553056.db2.gz KMZASRYKNYPIMI-LLVKDONJSA-N 2 1 264.344 2.444 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925714154 628569923 /nfs/dbraw/zinc/56/99/23/628569923.db2.gz WBDPXRRZPZHFFL-LSDHHAIUSA-N 3 1 269.477 2.460 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925714154 628569928 /nfs/dbraw/zinc/56/99/28/628569928.db2.gz WBDPXRRZPZHFFL-LSDHHAIUSA-N 3 1 269.477 2.460 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925714154 628569934 /nfs/dbraw/zinc/56/99/34/628569934.db2.gz WBDPXRRZPZHFFL-LSDHHAIUSA-N 3 1 269.477 2.460 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1COCC1(C)C)[NH+]1CCCC1 ZINC000312975343 628571416 /nfs/dbraw/zinc/57/14/16/628571416.db2.gz CIXMLEKQDMITTL-UONOGXRCSA-N 2 1 254.418 2.121 20 0 CEADMP CCOC[C@@H]1CCCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000313214346 628584013 /nfs/dbraw/zinc/58/40/13/628584013.db2.gz OINGKVXOPFPPEW-GJZGRUSLSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000925721561 628588822 /nfs/dbraw/zinc/58/88/22/628588822.db2.gz FDBGQPCGVWTQGJ-LLLHUVSDSA-N 2 1 274.408 2.494 20 0 CEADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000925726575 628641936 /nfs/dbraw/zinc/64/19/36/628641936.db2.gz UELRIWYQUULRDL-BRWVUGGUSA-N 3 1 289.467 2.442 20 0 CEADMP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000902449025 634672463 /nfs/dbraw/zinc/67/24/63/634672463.db2.gz LFAKPEQQHDKOME-CQSZACIVSA-N 2 1 295.471 2.001 20 0 CEADMP c1cc2c(c(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c1)OCO2 ZINC000093452745 628660606 /nfs/dbraw/zinc/66/06/06/628660606.db2.gz ACMRQPURECRNDC-SOUVJXGZSA-N 2 1 288.391 2.426 20 0 CEADMP CC1(C)CC[N@@H+](CCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000902458503 634678707 /nfs/dbraw/zinc/67/87/07/634678707.db2.gz YNVDQIQHBXLUGU-IAGOWNOFSA-N 2 1 293.499 2.476 20 0 CEADMP CC1(C)CCN(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000902458503 634678712 /nfs/dbraw/zinc/67/87/12/634678712.db2.gz YNVDQIQHBXLUGU-IAGOWNOFSA-N 2 1 293.499 2.476 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)[C@@H]1CCCC[NH2+]1 ZINC000902459029 634679744 /nfs/dbraw/zinc/67/97/44/634679744.db2.gz AQSAPENGVNXTKL-IHRRRGAJSA-N 2 1 254.418 2.454 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)[C@@H]1CCC[NH2+]1 ZINC000925771150 628769825 /nfs/dbraw/zinc/76/98/25/628769825.db2.gz ABZQXIHGSFCXOK-IHRRRGAJSA-N 2 1 252.402 2.066 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c(OC)c1 ZINC000925788858 628830643 /nfs/dbraw/zinc/83/06/43/628830643.db2.gz CHVHBBYCYQSXSM-UPJWGTAASA-N 2 1 278.396 2.210 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(CC)CC ZINC000902471006 634687964 /nfs/dbraw/zinc/68/79/64/634687964.db2.gz IWNUZJNMEZAXAU-VYDRJRHOSA-N 2 1 266.429 2.453 20 0 CEADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)[C@@H]1C[C@@H]1C ZINC000925801838 628849417 /nfs/dbraw/zinc/84/94/17/628849417.db2.gz ZCACVRXJSMRDLF-XQLPTFJDSA-N 2 1 266.429 2.169 20 0 CEADMP CC(C)(C)[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000925829060 628921049 /nfs/dbraw/zinc/92/10/49/628921049.db2.gz AKMDQZSLSPFOIJ-LSDHHAIUSA-N 2 1 268.445 2.248 20 0 CEADMP COc1ccc2ccccc2c1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000925833920 628929084 /nfs/dbraw/zinc/92/90/84/628929084.db2.gz LNZRZLSPLMXOQY-AWEZNQCLSA-N 2 1 270.376 2.342 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000261564685 628939177 /nfs/dbraw/zinc/93/91/77/628939177.db2.gz HIUUQQSFFHIISI-CYBMUJFWSA-N 2 1 254.324 2.443 20 0 CEADMP c1ccc2c(c1)CC[C@@H]2[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925849296 628953518 /nfs/dbraw/zinc/95/35/18/628953518.db2.gz ONJMAJGDHQHHGO-SFHVURJKSA-N 2 1 287.451 2.339 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000925879422 628979361 /nfs/dbraw/zinc/97/93/61/628979361.db2.gz DMEZZAVIESHQDP-PQEBFOHHSA-N 3 1 273.424 2.197 20 0 CEADMP C([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)[C@@H]1CCCCC[NH2+]1 ZINC000902484521 634701420 /nfs/dbraw/zinc/70/14/20/634701420.db2.gz WCRNJOCUWVJGKE-CRWXNKLISA-N 2 1 286.510 2.488 20 0 CEADMP CO[C@@H]1CC[C@H]([N@@H+](C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000821379893 634701976 /nfs/dbraw/zinc/70/19/76/634701976.db2.gz LUEUXDHDKPUTTD-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP CO[C@@H]1CC[C@H]([NH+](C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000821379893 634701984 /nfs/dbraw/zinc/70/19/84/634701984.db2.gz LUEUXDHDKPUTTD-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP CO[C@@H]1CC[C@H]([NH+](C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000821379893 634701991 /nfs/dbraw/zinc/70/19/91/634701991.db2.gz LUEUXDHDKPUTTD-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP CO[C@@H]1CC[C@H]([N@@H+](C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000821379890 634702291 /nfs/dbraw/zinc/70/22/91/634702291.db2.gz LUEUXDHDKPUTTD-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP CO[C@@H]1CC[C@H]([NH+](C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000821379890 634702298 /nfs/dbraw/zinc/70/22/98/634702298.db2.gz LUEUXDHDKPUTTD-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP CO[C@@H]1CC[C@H]([NH+](C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000821379890 634702304 /nfs/dbraw/zinc/70/23/04/634702304.db2.gz LUEUXDHDKPUTTD-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP CC[N@@H+]1C[C@H](NC2CC[NH+](CCC(C)C)CC2)[C@@H](C)C1 ZINC000925929588 629077320 /nfs/dbraw/zinc/07/73/20/629077320.db2.gz NXXJRGVQKBIDHX-RDJZCZTQSA-N 2 1 281.488 2.427 20 0 CEADMP CCc1[nH]c(C[NH2+]CCC[N@H+](C)C(C)C)cc1C(=O)OC ZINC000894164698 629179203 /nfs/dbraw/zinc/17/92/03/629179203.db2.gz GADMEBQFIPCFMB-UHFFFAOYSA-N 2 1 295.427 2.184 20 0 CEADMP CCc1[nH]c(C[NH2+]CCC[N@@H+](C)C(C)C)cc1C(=O)OC ZINC000894164698 629179206 /nfs/dbraw/zinc/17/92/06/629179206.db2.gz GADMEBQFIPCFMB-UHFFFAOYSA-N 2 1 295.427 2.184 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(C2([NH3+])CCCC2)no1 ZINC000261772901 629189804 /nfs/dbraw/zinc/18/98/04/629189804.db2.gz NEZFPCDGWIOUPX-PHIMTYICSA-N 2 1 264.373 2.170 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCCOC(F)(F)F)CC[C@@H]21 ZINC000878196998 629224105 /nfs/dbraw/zinc/22/41/05/629224105.db2.gz KQENWTIBSSMSKF-RYUDHWBXSA-N 2 1 280.334 2.329 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCCOC(F)(F)F)CC[C@@H]21 ZINC000878196998 629224108 /nfs/dbraw/zinc/22/41/08/629224108.db2.gz KQENWTIBSSMSKF-RYUDHWBXSA-N 2 1 280.334 2.329 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCOC(F)(F)F)CC[C@@H]21 ZINC000878196998 629224112 /nfs/dbraw/zinc/22/41/12/629224112.db2.gz KQENWTIBSSMSKF-RYUDHWBXSA-N 2 1 280.334 2.329 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000924916933 629252731 /nfs/dbraw/zinc/25/27/31/629252731.db2.gz NNIALMCOMZXUKR-ARFHVFGLSA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924916933 629252734 /nfs/dbraw/zinc/25/27/34/629252734.db2.gz NNIALMCOMZXUKR-ARFHVFGLSA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924916933 629252737 /nfs/dbraw/zinc/25/27/37/629252737.db2.gz NNIALMCOMZXUKR-ARFHVFGLSA-N 2 1 267.461 2.323 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000924954011 629291205 /nfs/dbraw/zinc/29/12/05/629291205.db2.gz SNXALWBPAFBFCX-DJIMGWMZSA-N 3 1 290.455 2.434 20 0 CEADMP CCn1nc(C)c([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)n1 ZINC000924954469 629291874 /nfs/dbraw/zinc/29/18/74/629291874.db2.gz WJGLTWLDEFANKD-RYUDHWBXSA-N 2 1 290.415 2.098 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000894358452 629389301 /nfs/dbraw/zinc/38/93/01/629389301.db2.gz GEOGBASJZASIQW-HUUCEWRRSA-N 2 1 268.445 2.369 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000261975063 629407436 /nfs/dbraw/zinc/40/74/36/629407436.db2.gz QQTOGCRVJBGUDS-DGCLKSJQSA-N 2 1 266.360 2.394 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000261975063 629407437 /nfs/dbraw/zinc/40/74/37/629407437.db2.gz QQTOGCRVJBGUDS-DGCLKSJQSA-N 2 1 266.360 2.394 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000894457410 629471357 /nfs/dbraw/zinc/47/13/57/629471357.db2.gz BLUZWJGEEUKJDQ-LBPRGKRZSA-N 2 1 278.425 2.216 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000894457410 629471361 /nfs/dbraw/zinc/47/13/61/629471361.db2.gz BLUZWJGEEUKJDQ-LBPRGKRZSA-N 2 1 278.425 2.216 20 0 CEADMP CCOc1ccc(CNC[C@@H]2CC[N@H+](C(C)C)C2)o1 ZINC000894458346 629472499 /nfs/dbraw/zinc/47/24/99/629472499.db2.gz QRFPQKKPXBPMGQ-ZDUSSCGKSA-N 2 1 266.385 2.498 20 0 CEADMP COC1CCC(C[N@@H+](C)CCCN(C)CC[NH+](C)C)CC1 ZINC000894523841 629510972 /nfs/dbraw/zinc/51/09/72/629510972.db2.gz OOYPEKUELNAYEL-UHFFFAOYSA-N 2 1 299.503 2.007 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CC3(Cl)Cl)C2)C1 ZINC000795322105 629516538 /nfs/dbraw/zinc/51/65/38/629516538.db2.gz KTUWZLJMDHVNIW-GHMZBOCLSA-N 2 1 263.212 2.208 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3CC3(Cl)Cl)C2)C1 ZINC000795322105 629516550 /nfs/dbraw/zinc/51/65/50/629516550.db2.gz KTUWZLJMDHVNIW-GHMZBOCLSA-N 2 1 263.212 2.208 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CC3(Cl)Cl)C2)C1 ZINC000795322105 629516557 /nfs/dbraw/zinc/51/65/57/629516557.db2.gz KTUWZLJMDHVNIW-GHMZBOCLSA-N 2 1 263.212 2.208 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CC3(Cl)Cl)C2)C1 ZINC000795322105 629516565 /nfs/dbraw/zinc/51/65/65/629516565.db2.gz KTUWZLJMDHVNIW-GHMZBOCLSA-N 2 1 263.212 2.208 20 0 CEADMP CC(C)[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCCO1 ZINC000894655340 629576808 /nfs/dbraw/zinc/57/68/08/629576808.db2.gz IWCIMFCCNJZXJY-OAHLLOKOSA-N 2 1 254.418 2.075 20 0 CEADMP COc1ccc2c(c1)C[N@H+](CC1CC[NH+](C)CC1)CCO2 ZINC000894732102 629610314 /nfs/dbraw/zinc/61/03/14/629610314.db2.gz YZTYJPJBCXLUJV-UHFFFAOYSA-N 2 1 290.407 2.231 20 0 CEADMP COC[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)CC1 ZINC000894792591 629648969 /nfs/dbraw/zinc/64/89/69/629648969.db2.gz YJPWSPBQYPPRTC-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)C2CC2)s1 ZINC000796313910 629840189 /nfs/dbraw/zinc/84/01/89/629840189.db2.gz XYGTXFHDLPXXEE-UHFFFAOYSA-N 2 1 253.415 2.483 20 0 CEADMP C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796325479 629848838 /nfs/dbraw/zinc/84/88/38/629848838.db2.gz VIILTVWCQBGXIR-NWDGAFQWSA-N 2 1 283.441 2.109 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1C ZINC000262133132 629921665 /nfs/dbraw/zinc/92/16/65/629921665.db2.gz YJHDWWGTOKSGNX-UHFFFAOYSA-N 2 1 276.428 2.095 20 0 CEADMP COc1ccc(CNCCC[N@@H+](C)CC(C)C)nc1 ZINC000895137372 629948037 /nfs/dbraw/zinc/94/80/37/629948037.db2.gz OKVULMPULCKQBN-UHFFFAOYSA-N 2 1 265.401 2.158 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOC2CCC2)[C@H]2CCC[C@@H]21 ZINC000796887418 630053021 /nfs/dbraw/zinc/05/30/21/630053021.db2.gz IDUUBMWPVIZMSE-ILXRZTDVSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H](CC[NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[NH+](C)C ZINC000895294113 630083358 /nfs/dbraw/zinc/08/33/58/630083358.db2.gz PMRRGSWNZWVXNL-CYBMUJFWSA-N 2 1 289.423 2.025 20 0 CEADMP Cc1ccc2ncc(C[NH2+]CC[C@H](C)[NH+](C)C)n2c1 ZINC000895297394 630089323 /nfs/dbraw/zinc/08/93/23/630089323.db2.gz VNPQHBQYWKHECR-ZDUSSCGKSA-N 2 1 260.385 2.073 20 0 CEADMP COCCOc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1 ZINC000895296679 630089668 /nfs/dbraw/zinc/08/96/68/630089668.db2.gz BGNYPUPAQKECDK-AWEZNQCLSA-N 2 1 280.412 2.142 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000797113579 630138238 /nfs/dbraw/zinc/13/82/38/630138238.db2.gz DGZMPWPQWLXIGD-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000797113579 630138242 /nfs/dbraw/zinc/13/82/42/630138242.db2.gz DGZMPWPQWLXIGD-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(CO)o1 ZINC000895380051 630150695 /nfs/dbraw/zinc/15/06/95/630150695.db2.gz XEPHYGQYUOJTOW-XJKSGUPXSA-N 2 1 280.412 2.324 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(CO)o1 ZINC000895380051 630150697 /nfs/dbraw/zinc/15/06/97/630150697.db2.gz XEPHYGQYUOJTOW-XJKSGUPXSA-N 2 1 280.412 2.324 20 0 CEADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnn(CCF)c1 ZINC000895508073 630221975 /nfs/dbraw/zinc/22/19/75/630221975.db2.gz DTDCJPPLVDETPJ-ZBFHGGJFSA-N 2 1 296.434 2.405 20 0 CEADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnn(CCF)c1 ZINC000895508073 630221976 /nfs/dbraw/zinc/22/19/76/630221976.db2.gz DTDCJPPLVDETPJ-ZBFHGGJFSA-N 2 1 296.434 2.405 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccoc2)CCN1c1cc[nH+]cc1 ZINC000895555689 630247710 /nfs/dbraw/zinc/24/77/10/630247710.db2.gz AEBONODMTQXPEP-ZDUSSCGKSA-N 2 1 257.337 2.385 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccoc2)CCN1c1cc[nH+]cc1 ZINC000895555689 630247715 /nfs/dbraw/zinc/24/77/15/630247715.db2.gz AEBONODMTQXPEP-ZDUSSCGKSA-N 2 1 257.337 2.385 20 0 CEADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000895937381 630412125 /nfs/dbraw/zinc/41/21/25/630412125.db2.gz PYUNAYIUAVRAIC-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000895937381 630412130 /nfs/dbraw/zinc/41/21/30/630412130.db2.gz PYUNAYIUAVRAIC-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902759666 634813489 /nfs/dbraw/zinc/81/34/89/634813489.db2.gz BUXNYOFYDWANTF-OVYBAWALSA-N 2 1 278.440 2.121 20 0 CEADMP CCO[C@H](CNc1[nH+]c2ccc(F)cc2n1C)C[NH+](C)C ZINC000896114270 630467690 /nfs/dbraw/zinc/46/76/90/630467690.db2.gz XLKOVVTUSJYPAS-GFCCVEGCSA-N 2 1 294.374 2.091 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000896340885 630537261 /nfs/dbraw/zinc/53/72/61/630537261.db2.gz MRKJRQYUQDBOFO-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000896340885 630537266 /nfs/dbraw/zinc/53/72/66/630537266.db2.gz MRKJRQYUQDBOFO-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000896340885 630537270 /nfs/dbraw/zinc/53/72/70/630537270.db2.gz MRKJRQYUQDBOFO-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CN(C)CC[C@@H]([NH2+]C1CC(n2cccn2)C1)c1cccnc1 ZINC000896717968 630648451 /nfs/dbraw/zinc/64/84/51/630648451.db2.gz ZAAGWEGRONRURW-OFLPRAFFSA-N 2 1 299.422 2.264 20 0 CEADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000896747003 630657478 /nfs/dbraw/zinc/65/74/78/630657478.db2.gz YDBJZHYFICDHDU-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP COC[C@H](C)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957272 630956285 /nfs/dbraw/zinc/95/62/85/630956285.db2.gz PWNJQJFDJGVHBZ-CQSZACIVSA-N 2 1 254.418 2.077 20 0 CEADMP Cn1cc(CCC[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000799178080 630991609 /nfs/dbraw/zinc/99/16/09/630991609.db2.gz KDVOHANTNCPYPH-UHFFFAOYSA-N 2 1 290.455 2.161 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)C1 ZINC000904320220 635566435 /nfs/dbraw/zinc/56/64/35/635566435.db2.gz DWWZPYDROSTMAN-UKPHBRMFSA-N 2 1 274.408 2.096 20 0 CEADMP C[N@H+]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)C(C)(C)C1 ZINC000904322308 635568073 /nfs/dbraw/zinc/56/80/73/635568073.db2.gz WCMGDGKBVBFJAT-ZDUSSCGKSA-N 2 1 255.450 2.166 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@@]2(C)CCC[NH2+]C2)[C@H](C)C1 ZINC000904322617 635569697 /nfs/dbraw/zinc/56/96/97/635569697.db2.gz FMPZYUPZJPGGIE-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP OCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000799728421 631071447 /nfs/dbraw/zinc/07/14/47/631071447.db2.gz BJTCZLJEVSYEQZ-RCCFBDPRSA-N 2 1 288.435 2.197 20 0 CEADMP C[C@]1(C[N@H+]2CCCC3(CCOCC3)C2)CCC[NH2+]C1 ZINC000904340567 635579011 /nfs/dbraw/zinc/57/90/11/635579011.db2.gz JJSWWZMZQZDRDV-HNNXBMFYSA-N 2 1 266.429 2.269 20 0 CEADMP CC(C)OC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000800239037 631101102 /nfs/dbraw/zinc/10/11/02/631101102.db2.gz COIAYFXPFWQEDJ-GOEBONIOSA-N 2 1 284.444 2.033 20 0 CEADMP Cc1ccc2c(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000262586233 631162759 /nfs/dbraw/zinc/16/27/59/631162759.db2.gz ZTEDXUUTZZQFQR-SFHVURJKSA-N 2 1 298.386 2.287 20 0 CEADMP Cc1ccc2c(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000262586233 631162760 /nfs/dbraw/zinc/16/27/60/631162760.db2.gz ZTEDXUUTZZQFQR-SFHVURJKSA-N 2 1 298.386 2.287 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000897420813 631342754 /nfs/dbraw/zinc/34/27/54/631342754.db2.gz IOEYNTBWJDXFPY-STQMWFEESA-N 2 1 297.443 2.116 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000897508991 631599461 /nfs/dbraw/zinc/59/94/61/631599461.db2.gz TWKIMUIRYDWNBO-GDBMZVCRSA-N 2 1 275.396 2.195 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)[C@H](C)C1 ZINC000897536947 631688761 /nfs/dbraw/zinc/68/87/61/631688761.db2.gz YXBYLCSFWRXSIP-UGUYLWEFSA-N 2 1 268.445 2.248 20 0 CEADMP Cn1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000808376752 631951715 /nfs/dbraw/zinc/95/17/15/631951715.db2.gz CWRARNLLEZRWGF-UHFFFAOYSA-N 2 1 284.407 2.306 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H](Cc3nccs3)C2)CC1 ZINC000898068087 632041712 /nfs/dbraw/zinc/04/17/12/632041712.db2.gz LAJFVZUSOHWEPU-CQSZACIVSA-N 2 1 279.453 2.349 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](O)C(F)(F)F)cc1 ZINC000809752060 632140499 /nfs/dbraw/zinc/14/04/99/632140499.db2.gz ZTCRXFCENOSXBH-ZDUSSCGKSA-N 2 1 290.329 2.103 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)C(F)(F)F)cc1 ZINC000809752060 632140501 /nfs/dbraw/zinc/14/05/01/632140501.db2.gz ZTCRXFCENOSXBH-ZDUSSCGKSA-N 2 1 290.329 2.103 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H](c1ccccn1)C(C)C)CN(C)C ZINC000926957350 632383910 /nfs/dbraw/zinc/38/39/10/632383910.db2.gz ACBPRVFLSSIOCO-GOEBONIOSA-N 2 1 279.428 2.335 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H](C)Cc1ccccc1OC)C[NH+](C)C ZINC000926961966 632389167 /nfs/dbraw/zinc/38/91/67/632389167.db2.gz KXPYPUHRFYTAQV-HOCLYGCPSA-N 2 1 294.439 2.183 20 0 CEADMP CC[N@@H+]1CCCC[C@@H]1C(=O)OCC[C@H]1CCCC[NH+]1C ZINC000840236259 632410160 /nfs/dbraw/zinc/41/01/60/632410160.db2.gz SNHVVUMXEFEVDO-HUUCEWRRSA-N 2 1 282.428 2.278 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)OCC[C@H]1CCCC[NH+]1C ZINC000840236259 632410167 /nfs/dbraw/zinc/41/01/67/632410167.db2.gz SNHVVUMXEFEVDO-HUUCEWRRSA-N 2 1 282.428 2.278 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000840236259 632410173 /nfs/dbraw/zinc/41/01/73/632410173.db2.gz SNHVVUMXEFEVDO-HUUCEWRRSA-N 2 1 282.428 2.278 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000840236259 632410179 /nfs/dbraw/zinc/41/01/79/632410179.db2.gz SNHVVUMXEFEVDO-HUUCEWRRSA-N 2 1 282.428 2.278 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000927010925 632415423 /nfs/dbraw/zinc/41/54/23/632415423.db2.gz ODGCZKXDYNAXTC-IUOOZAAYSA-N 2 1 278.440 2.408 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC23CCCCC3)C1 ZINC000924706126 632440698 /nfs/dbraw/zinc/44/06/98/632440698.db2.gz OJWJIXUSOPAOMX-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CO[C@@H](C)C2)C1 ZINC000842695263 633395007 /nfs/dbraw/zinc/39/50/07/633395007.db2.gz ZCRHMFWJJVQNPP-RRFJBIMHSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1c[nH+]ccc1N ZINC000817892891 633755452 /nfs/dbraw/zinc/75/54/52/633755452.db2.gz WOFJSTSANUAFHU-CHWSQXEVSA-N 2 1 283.375 2.396 20 0 CEADMP C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1c[nH+]ccc1N ZINC000817902536 633764264 /nfs/dbraw/zinc/76/42/64/633764264.db2.gz STFZKCVJBJDXIK-JTQLQIEISA-N 2 1 276.771 2.436 20 0 CEADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(F)cccc1Cl ZINC000817905529 633765396 /nfs/dbraw/zinc/76/53/96/633765396.db2.gz JSUBPYPLWZEMBR-FZXRASCZSA-N 2 1 298.789 2.385 20 0 CEADMP Cc1cc(C)cc([C@@H](O)C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000817933197 633786591 /nfs/dbraw/zinc/78/65/91/633786591.db2.gz ZWRVRPVONHFNTK-GUYCJALGSA-N 2 1 285.391 2.495 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000817942112 633789680 /nfs/dbraw/zinc/78/96/80/633789680.db2.gz XSWGIKNOVHRQOK-ZDUSSCGKSA-N 2 1 258.369 2.132 20 0 CEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000817959604 633800980 /nfs/dbraw/zinc/80/09/80/633800980.db2.gz HQLZTVVAQDWJHO-BLLLJJGKSA-N 2 1 287.407 2.201 20 0 CEADMP C[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000900696014 633801589 /nfs/dbraw/zinc/80/15/89/633801589.db2.gz VUDXXIVLUDRKMN-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP COCc1cc([C@H](C)[NH2+]CC2([NH3+])CCC2)ccc1OC ZINC000817964445 633806488 /nfs/dbraw/zinc/80/64/88/633806488.db2.gz CWXHDFZAYSYYSF-LBPRGKRZSA-N 2 1 278.396 2.374 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000817965759 633809062 /nfs/dbraw/zinc/80/90/62/633809062.db2.gz UXWKHODTFHYKBC-MLGOLLRUSA-N 2 1 287.407 2.201 20 0 CEADMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc2c(c1)CCO2 ZINC000817966055 633809212 /nfs/dbraw/zinc/80/92/12/633809212.db2.gz ZVUHCGKMZGWQQG-GJZGRUSLSA-N 2 1 260.381 2.400 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000817977347 633819865 /nfs/dbraw/zinc/81/98/65/633819865.db2.gz IECZPJXZLZISEW-YYWXWVFPSA-N 2 1 260.381 2.180 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817980182 633822958 /nfs/dbraw/zinc/82/29/58/633822958.db2.gz SFWMBMMOUHMLOC-GXTWGEPZSA-N 2 1 291.395 2.421 20 0 CEADMP c1[nH]nc2c1[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCC2 ZINC000817985191 633827907 /nfs/dbraw/zinc/82/79/07/633827907.db2.gz GWFSULJFOCOTJO-YPMHNXCESA-N 2 1 260.385 2.051 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)C1CC1 ZINC000818959560 634017315 /nfs/dbraw/zinc/01/73/15/634017315.db2.gz NWTIOPZWPHCSDE-UKRRQHHQSA-N 2 1 254.418 2.002 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000818968001 634019431 /nfs/dbraw/zinc/01/94/31/634019431.db2.gz HWGZCZWBVCYVGW-HNNXBMFYSA-N 2 1 295.333 2.183 20 0 CEADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@H]1CC ZINC000818978248 634026516 /nfs/dbraw/zinc/02/65/16/634026516.db2.gz SOYUEBWEAKHOFG-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@H]1CC ZINC000818978248 634026519 /nfs/dbraw/zinc/02/65/19/634026519.db2.gz SOYUEBWEAKHOFG-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000818978248 634026525 /nfs/dbraw/zinc/02/65/25/634026525.db2.gz SOYUEBWEAKHOFG-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000818978248 634026529 /nfs/dbraw/zinc/02/65/29/634026529.db2.gz SOYUEBWEAKHOFG-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000818986785 634030243 /nfs/dbraw/zinc/03/02/43/634030243.db2.gz APCPJHBYPHZBLB-BBRMVZONSA-N 2 1 294.464 2.321 20 0 CEADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000818986785 634030249 /nfs/dbraw/zinc/03/02/49/634030249.db2.gz APCPJHBYPHZBLB-BBRMVZONSA-N 2 1 294.464 2.321 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000819219731 634107766 /nfs/dbraw/zinc/10/77/66/634107766.db2.gz GMYUTRHDMULGFP-DYVFJYSZSA-N 2 1 292.398 2.408 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000819250082 634117334 /nfs/dbraw/zinc/11/73/34/634117334.db2.gz ULHKVQICUWMGEH-HYVNUMGLSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000819250082 634117341 /nfs/dbraw/zinc/11/73/41/634117341.db2.gz ULHKVQICUWMGEH-HYVNUMGLSA-N 2 1 276.424 2.258 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000819356777 634152102 /nfs/dbraw/zinc/15/21/02/634152102.db2.gz ZLTWIBXJKNHCIO-UCMJJCQDSA-N 2 1 292.398 2.382 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000819365789 634156505 /nfs/dbraw/zinc/15/65/05/634156505.db2.gz ANDIUOMFDQJVSE-GOEBONIOSA-N 2 1 262.397 2.042 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000819366728 634156627 /nfs/dbraw/zinc/15/66/27/634156627.db2.gz UCMZMBAFFMWSEK-NVXWUHKLSA-N 2 1 276.424 2.350 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000903018024 634927473 /nfs/dbraw/zinc/92/74/73/634927473.db2.gz VUGRGJWHLOFRDS-NQLMQOPMSA-N 2 1 278.440 2.121 20 0 CEADMP c1cn(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cn1 ZINC000903075193 634957437 /nfs/dbraw/zinc/95/74/37/634957437.db2.gz RLKCQVYYGOIEMQ-ZXFUBFMLSA-N 2 1 288.439 2.411 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903068673 634965155 /nfs/dbraw/zinc/96/51/55/634965155.db2.gz KARCLFJGBDFEIN-IXDOHACOSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903068672 634965353 /nfs/dbraw/zinc/96/53/53/634965353.db2.gz KARCLFJGBDFEIN-IKGGRYGDSA-N 2 1 296.455 2.179 20 0 CEADMP C/C=C/C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903151950 634997512 /nfs/dbraw/zinc/99/75/12/634997512.db2.gz KTLXNOGYYQVYME-JVJSTMMOSA-N 2 1 264.413 2.061 20 0 CEADMP CC(C)(CO)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903178821 635000608 /nfs/dbraw/zinc/00/06/08/635000608.db2.gz YMKQFQOQFNVWDS-LQDVMPOASA-N 2 1 266.429 2.142 20 0 CEADMP Cc1cnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cn1 ZINC000903183783 635002781 /nfs/dbraw/zinc/00/27/81/635002781.db2.gz QOEVPVWNJVAEJO-ZXFUBFMLSA-N 2 1 286.423 2.075 20 0 CEADMP C[S@](=O)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903167214 635003015 /nfs/dbraw/zinc/00/30/15/635003015.db2.gz IJMZKPLOYZRLED-RPCSZTRESA-N 2 1 296.480 2.035 20 0 CEADMP CO[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000903194192 635005807 /nfs/dbraw/zinc/00/58/07/635005807.db2.gz KGRYPYSYIZKEMM-OWSLCNJRSA-N 2 1 288.435 2.489 20 0 CEADMP CCC[C@@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903228827 635027614 /nfs/dbraw/zinc/02/76/14/635027614.db2.gz XJGGXDAQCACUJG-YPAMNDHTSA-N 2 1 266.429 2.285 20 0 CEADMP OC[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000903287074 635051213 /nfs/dbraw/zinc/05/12/13/635051213.db2.gz BBIYFFKCKKGKFS-KRWDZBQOSA-N 2 1 288.435 2.197 20 0 CEADMP OC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903290206 635052939 /nfs/dbraw/zinc/05/29/39/635052939.db2.gz SXDBHLIQPACMAA-OKZBNKHCSA-N 2 1 288.435 2.197 20 0 CEADMP C[N@H+]1CC[C@H](NCC[NH+]2CCC(C)(C)C2)[C@@H]2CCC[C@H]21 ZINC000903345663 635072968 /nfs/dbraw/zinc/07/29/68/635072968.db2.gz YOBYXUVCBALRSR-HRCADAONSA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@H](NCC[N@@H+]2CCC(C)(C)C2)[C@@H]2CCC[C@H]21 ZINC000903345663 635072971 /nfs/dbraw/zinc/07/29/71/635072971.db2.gz YOBYXUVCBALRSR-HRCADAONSA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@H](NCC[N@H+]2CCC(C)(C)C2)[C@@H]2CCC[C@H]21 ZINC000903345663 635072976 /nfs/dbraw/zinc/07/29/76/635072976.db2.gz YOBYXUVCBALRSR-HRCADAONSA-N 2 1 279.472 2.181 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCN2CCC(C)(C)C2)[C@@H]2CCC[C@H]21 ZINC000903345663 635072981 /nfs/dbraw/zinc/07/29/81/635072981.db2.gz YOBYXUVCBALRSR-HRCADAONSA-N 2 1 279.472 2.181 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCC(C)(C)C2)[C@@H]2CCC[C@H]21 ZINC000903345663 635072985 /nfs/dbraw/zinc/07/29/85/635072985.db2.gz YOBYXUVCBALRSR-HRCADAONSA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCOCC1)c1cccnc1 ZINC000903380342 635093527 /nfs/dbraw/zinc/09/35/27/635093527.db2.gz MHTNZWQUIAIZNW-JKSUJKDBSA-N 2 1 277.412 2.233 20 0 CEADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)[C@H]1CCCOC1 ZINC000903379718 635093747 /nfs/dbraw/zinc/09/37/47/635093747.db2.gz IGWWLOMEFXVCCW-BHYGNILZSA-N 2 1 291.439 2.479 20 0 CEADMP Cc1ncccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000903417646 635106773 /nfs/dbraw/zinc/10/67/73/635106773.db2.gz DRHQERGURSIZRE-BBWFWOEESA-N 2 1 273.424 2.395 20 0 CEADMP CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439965 635118879 /nfs/dbraw/zinc/11/88/79/635118879.db2.gz RTUAHDZHLVYPAG-HYVNUMGLSA-N 2 1 276.424 2.206 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCS[C@@H]3CCCC[C@H]32)C1 ZINC000903439756 635119054 /nfs/dbraw/zinc/11/90/54/635119054.db2.gz NVYAOYDJEKANSM-REWJHTLYSA-N 2 1 254.443 2.474 20 0 CEADMP CCSc1ccccc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000903422432 635122733 /nfs/dbraw/zinc/12/27/33/635122733.db2.gz CPGLUUIBLLHNNY-UHFFFAOYSA-N 2 1 293.480 2.136 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1c(C)noc1C ZINC000903458822 635125023 /nfs/dbraw/zinc/12/50/23/635125023.db2.gz KXUCJRBEDZOJIB-ICCXJUOJSA-N 2 1 251.374 2.188 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C(C)C ZINC000903460868 635126325 /nfs/dbraw/zinc/12/63/25/635126325.db2.gz KNASEASVFHQQNV-NXOAAHMSSA-N 2 1 298.471 2.123 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)nn1 ZINC000903463480 635126920 /nfs/dbraw/zinc/12/69/20/635126920.db2.gz CGNOSBBSTSVDHB-INIZCTEOSA-N 2 1 288.439 2.305 20 0 CEADMP C[C@H](c1ncccn1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000903463724 635127260 /nfs/dbraw/zinc/12/72/60/635127260.db2.gz KHMVYONARYLWFG-HIFRSBDPSA-N 2 1 274.412 2.249 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)C1 ZINC000903454470 635137510 /nfs/dbraw/zinc/13/75/10/635137510.db2.gz CNZXTDZEJCPBMU-KSZLIROESA-N 2 1 288.435 2.447 20 0 CEADMP CC(C)(C)OC[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903563922 635163700 /nfs/dbraw/zinc/16/37/00/635163700.db2.gz MKAQSXBLXHYRHT-HZSPNIEDSA-N 2 1 254.418 2.393 20 0 CEADMP CCn1nc(C)c(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000823469949 635190928 /nfs/dbraw/zinc/19/09/28/635190928.db2.gz CGXJTRXWLNDQSV-UHFFFAOYSA-N 2 1 293.459 2.160 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCOC1CCSCC1 ZINC000903716615 635230952 /nfs/dbraw/zinc/23/09/52/635230952.db2.gz AEMBQEGAYDUZLQ-CQSZACIVSA-N 2 1 274.474 2.204 20 0 CEADMP C[N@@H+](C[C@H]1CCC[C@@H](C(F)(F)F)O1)CC(C)(C)C[NH3+] ZINC000903717567 635232131 /nfs/dbraw/zinc/23/21/31/635232131.db2.gz RXLYKMMRDPRGGY-MNOVXSKESA-N 2 1 282.350 2.403 20 0 CEADMP Cc1ccccc1C[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717673 635232196 /nfs/dbraw/zinc/23/21/96/635232196.db2.gz CVBMTUDUMRUWSB-SJORKVTESA-N 2 1 274.408 2.195 20 0 CEADMP C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCCC1 ZINC000903717689 635232324 /nfs/dbraw/zinc/23/23/24/635232324.db2.gz DBGMEZGMKRCXLA-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)Cc2ccccc21 ZINC000903718233 635233138 /nfs/dbraw/zinc/23/31/38/635233138.db2.gz JAJJDXNFHKFZKE-QGPMSJSTSA-N 2 1 286.419 2.374 20 0 CEADMP C[C@H]([N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C(C)(C)C ZINC000903723626 635237513 /nfs/dbraw/zinc/23/75/13/635237513.db2.gz XCAKDGRORCJVKL-KCQAQPDRSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1cccc2c1CC[N@@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903728992 635241179 /nfs/dbraw/zinc/24/11/79/635241179.db2.gz IYUDUTPHHSMSQX-WMZOPIPTSA-N 2 1 286.419 2.122 20 0 CEADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903737714 635251598 /nfs/dbraw/zinc/25/15/98/635251598.db2.gz VJVZNZHWTPHGLB-ZDUSSCGKSA-N 2 1 295.452 2.042 20 0 CEADMP CN1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)Cc2ccccc21 ZINC000903736994 635251716 /nfs/dbraw/zinc/25/17/16/635251716.db2.gz OJGOBQSGAOZDJL-OAHLLOKOSA-N 2 1 273.424 2.328 20 0 CEADMP CC1CC(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000903781943 635267410 /nfs/dbraw/zinc/26/74/10/635267410.db2.gz XWJSUWZJJQUVHV-TVUZUIDESA-N 2 1 250.308 2.102 20 0 CEADMP OCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCC[NH2+]C1 ZINC000903781334 635267504 /nfs/dbraw/zinc/26/75/04/635267504.db2.gz QLLVBFNMKFYNOR-VIYLOZMYSA-N 2 1 266.429 2.002 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@@H](O)CC(F)(F)F)CCC1 ZINC000903810537 635285026 /nfs/dbraw/zinc/28/50/26/635285026.db2.gz DINWZPWNMQUTTC-RYUDHWBXSA-N 2 1 294.361 2.283 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)c1cc2c[nH]ccc-2n1 ZINC000823823801 635286231 /nfs/dbraw/zinc/28/62/31/635286231.db2.gz FRKHQWMLNHKYHI-UHFFFAOYSA-N 2 1 288.395 2.271 20 0 CEADMP Cc1noc(C[C@@H]2CCC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)n1 ZINC000903825340 635293702 /nfs/dbraw/zinc/29/37/02/635293702.db2.gz ZIIXKVDHBMAHIR-GJZGRUSLSA-N 2 1 292.427 2.022 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCOCCc1ccccc1)C2 ZINC000903845316 635302192 /nfs/dbraw/zinc/30/21/92/635302192.db2.gz HZAOZIKEEIECLI-BZSNNMDCSA-N 2 1 288.435 2.447 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000903850426 635304117 /nfs/dbraw/zinc/30/41/17/635304117.db2.gz QQGOWOFQKDAKMI-QGZVFWFLSA-N 2 1 298.471 2.413 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C3CC3)nn2C)[C@H](C)C1 ZINC000823938453 635308901 /nfs/dbraw/zinc/30/89/01/635308901.db2.gz ZINGQIAAMZIAOQ-DOMZBBRYSA-N 2 1 276.428 2.117 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C3CC3)nn2C)[C@H](C)C1 ZINC000823938453 635308907 /nfs/dbraw/zinc/30/89/07/635308907.db2.gz ZINGQIAAMZIAOQ-DOMZBBRYSA-N 2 1 276.428 2.117 20 0 CEADMP CC1(C)CCC[C@H](C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])O1 ZINC000903860422 635311742 /nfs/dbraw/zinc/31/17/42/635311742.db2.gz RNVHUSCHKBMANJ-GUTXKFCHSA-N 2 1 252.402 2.147 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])O1 ZINC000903860422 635311744 /nfs/dbraw/zinc/31/17/44/635311744.db2.gz RNVHUSCHKBMANJ-GUTXKFCHSA-N 2 1 252.402 2.147 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2Cc1cccc2c1CCOC2 ZINC000903862006 635312739 /nfs/dbraw/zinc/31/27/39/635312739.db2.gz ZYDSDYNFXOZSLI-WBVHZDCISA-N 2 1 272.392 2.073 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2Cc1cccc2c1CCOC2 ZINC000903862006 635312746 /nfs/dbraw/zinc/31/27/46/635312746.db2.gz ZYDSDYNFXOZSLI-WBVHZDCISA-N 2 1 272.392 2.073 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCOCc1ccccc1 ZINC000903860951 635313074 /nfs/dbraw/zinc/31/30/74/635313074.db2.gz VCHFILSGSFKKIX-JKSUJKDBSA-N 2 1 260.381 2.016 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCOCc1ccccc1 ZINC000903860951 635313078 /nfs/dbraw/zinc/31/30/78/635313078.db2.gz VCHFILSGSFKKIX-JKSUJKDBSA-N 2 1 260.381 2.016 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCCCC1CCOCC1 ZINC000903861260 635313366 /nfs/dbraw/zinc/31/33/66/635313366.db2.gz WMMPUZGZJMOJSG-JKSUJKDBSA-N 2 1 266.429 2.397 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCCCC1CCOCC1 ZINC000903861260 635313372 /nfs/dbraw/zinc/31/33/72/635313372.db2.gz WMMPUZGZJMOJSG-JKSUJKDBSA-N 2 1 266.429 2.397 20 0 CEADMP CO[C@H](C[N@@H+]1CCC[C@@]12CC[NH2+]C2)C1CCCCC1 ZINC000903871352 635319803 /nfs/dbraw/zinc/31/98/03/635319803.db2.gz SNJHEATXBJLZJQ-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@]12CC[NH2+]C2)C1CCCCC1 ZINC000903871352 635319807 /nfs/dbraw/zinc/31/98/07/635319807.db2.gz SNJHEATXBJLZJQ-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)[C@H](C)C(C)(C)C)cnn1C ZINC000903882736 635325939 /nfs/dbraw/zinc/32/59/39/635325939.db2.gz AZMYCXBIRZNGLC-KGLIPLIRSA-N 2 1 280.460 2.212 20 0 CEADMP C[C@@]1(C2CC2)COCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903883069 635326391 /nfs/dbraw/zinc/32/63/91/635326391.db2.gz UEOLAKHECJPNMM-SFHVURJKSA-N 2 1 286.419 2.333 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903887138 635328401 /nfs/dbraw/zinc/32/84/01/635328401.db2.gz XMZAZKREPPBEAN-MQVJKMGUSA-N 3 1 279.472 2.323 20 0 CEADMP CCCN1CCC([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903887138 635328406 /nfs/dbraw/zinc/32/84/06/635328406.db2.gz XMZAZKREPPBEAN-MQVJKMGUSA-N 2 1 279.472 2.323 20 0 CEADMP CCCN1CCC([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903887138 635328410 /nfs/dbraw/zinc/32/84/10/635328410.db2.gz XMZAZKREPPBEAN-MQVJKMGUSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)C[C@@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903893309 635328577 /nfs/dbraw/zinc/32/85/77/635328577.db2.gz UXHWHXHETJJJRQ-GJZGRUSLSA-N 2 1 291.443 2.071 20 0 CEADMP CC[C@@H](C)C[N@@H+](CC)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899863 635334913 /nfs/dbraw/zinc/33/49/13/635334913.db2.gz XUOMMZQRRYJWGM-UKRRQHHQSA-N 2 1 280.460 2.214 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903899672 635335012 /nfs/dbraw/zinc/33/50/12/635335012.db2.gz WDKUOMVWGJDUKD-MGNMYUMUSA-N 3 1 279.472 2.181 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903906883 635341410 /nfs/dbraw/zinc/34/14/10/635341410.db2.gz ZRVALPNQAXAPAS-AYHJJNSGSA-N 3 1 287.451 2.368 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000903909985 635344630 /nfs/dbraw/zinc/34/46/30/635344630.db2.gz YWHIXZQAAFOXMV-ALOPSCKCSA-N 3 1 291.483 2.325 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)C2(C)CCCC2)cnn1C ZINC000903915302 635344645 /nfs/dbraw/zinc/34/46/45/635344645.db2.gz ADUFHQNMTRLEAZ-CQSZACIVSA-N 2 1 278.444 2.110 20 0 CEADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903921843 635350353 /nfs/dbraw/zinc/35/03/53/635350353.db2.gz REBYKQZEGDROEA-JOYOIKCWSA-N 2 1 270.323 2.255 20 0 CEADMP CCOC(=O)CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000903932256 635357989 /nfs/dbraw/zinc/35/79/89/635357989.db2.gz PTAUYAOFDGDLAS-GOOCMWNKSA-N 2 1 282.428 2.181 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000903960118 635369778 /nfs/dbraw/zinc/36/97/78/635369778.db2.gz XOQQKFMJOAQGFE-HIFRSBDPSA-N 2 1 290.407 2.278 20 0 CEADMP CCOc1c(C[NH2+]CCC(C)(C)[NH3+])c(C)nn1CC(C)C ZINC000903940984 635374745 /nfs/dbraw/zinc/37/47/45/635374745.db2.gz KQIGUTGFIQFABG-UHFFFAOYSA-N 2 1 296.459 2.463 20 0 CEADMP COc1cccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903954593 635388126 /nfs/dbraw/zinc/38/81/26/635388126.db2.gz GAIXQQSLXBWZKL-GFCCVEGCSA-N 2 1 270.323 2.030 20 0 CEADMP CCC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980529 635396298 /nfs/dbraw/zinc/39/62/98/635396298.db2.gz UDPRZXFDAMSYTF-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980529 635396299 /nfs/dbraw/zinc/39/62/99/635396299.db2.gz UDPRZXFDAMSYTF-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980529 635396302 /nfs/dbraw/zinc/39/63/02/635396302.db2.gz UDPRZXFDAMSYTF-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963620 635398033 /nfs/dbraw/zinc/39/80/33/635398033.db2.gz CLZRGBMAWZLMNN-TYNCELHUSA-N 2 1 250.361 2.344 20 0 CEADMP COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308554 635558503 /nfs/dbraw/zinc/55/85/03/635558503.db2.gz RTNBQSVHFVQVSW-CWRNSKLLSA-N 2 1 290.407 2.035 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](c2ccccc2)CO1 ZINC000904325181 635570789 /nfs/dbraw/zinc/57/07/89/635570789.db2.gz RYFGZIYFDBXTMV-LUYZLQTOSA-N 2 1 260.381 2.186 20 0 CEADMP C[C@]1(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)CCC[NH2+]C1 ZINC000904326497 635572475 /nfs/dbraw/zinc/57/24/75/635572475.db2.gz KUVYVLLLXSFJKQ-OLZOCXBDSA-N 2 1 294.361 2.011 20 0 CEADMP CC[C@H]1CN(C)c2ccccc2C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328473 635574880 /nfs/dbraw/zinc/57/48/80/635574880.db2.gz PFMHWZGFVSQMQQ-IMJJTQAJSA-N 2 1 273.424 2.454 20 0 CEADMP CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000904331157 635576434 /nfs/dbraw/zinc/57/64/34/635576434.db2.gz DHMIIKWRGZQQIL-FGTMMUONSA-N 2 1 287.451 2.320 20 0 CEADMP COc1cc(C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C2CC2)ccc1O ZINC000904335265 635577301 /nfs/dbraw/zinc/57/73/01/635577301.db2.gz BUXXHWLPSWFWLR-BETUJISGSA-N 2 1 276.380 2.103 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)C1 ZINC000904346282 635582004 /nfs/dbraw/zinc/58/20/04/635582004.db2.gz STYJTLRNABHAES-LNSITVRQSA-N 2 1 264.344 2.016 20 0 CEADMP COc1cccc([C@]2(C)CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)c1 ZINC000904378405 635603525 /nfs/dbraw/zinc/60/35/25/635603525.db2.gz CBBSFLLHQRRCSE-UKPHBRMFSA-N 2 1 274.408 2.396 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000904381572 635605987 /nfs/dbraw/zinc/60/59/87/635605987.db2.gz YNQJOOQTNBEMBZ-UHFFFAOYSA-N 2 1 290.329 2.431 20 0 CEADMP C[C@@H]([NH2+]C[C@H](N)CCC(C)(C)C)C1CC[NH2+]CC1 ZINC000904383964 635606086 /nfs/dbraw/zinc/60/60/86/635606086.db2.gz FHEYYVUELKKFPE-TZMCWYRMSA-N 2 1 255.450 2.118 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904385527 635608599 /nfs/dbraw/zinc/60/85/99/635608599.db2.gz ZXOZATAMZLWOBA-HOTGVXAUSA-N 3 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904385527 635608601 /nfs/dbraw/zinc/60/86/01/635608601.db2.gz ZXOZATAMZLWOBA-HOTGVXAUSA-N 3 1 267.461 2.073 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000904386398 635610005 /nfs/dbraw/zinc/61/00/05/635610005.db2.gz YORQKFMPMDHRDT-KRWDZBQOSA-N 3 1 273.424 2.111 20 0 CEADMP [NH3+]Cc1ccc(CN2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000904386398 635610007 /nfs/dbraw/zinc/61/00/07/635610007.db2.gz YORQKFMPMDHRDT-KRWDZBQOSA-N 2 1 273.424 2.111 20 0 CEADMP C[N@@H+](CCc1ccc2c(c1)OCO2)C[C@]1(C)CCC[NH2+]C1 ZINC000904388121 635610216 /nfs/dbraw/zinc/61/02/16/635610216.db2.gz DEFSHNPBJOZSHX-QGZVFWFLSA-N 2 1 290.407 2.279 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000904405189 635612511 /nfs/dbraw/zinc/61/25/11/635612511.db2.gz GVLKABUGKOBIFS-AAEUAGOBSA-N 2 1 281.425 2.165 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000904406646 635613534 /nfs/dbraw/zinc/61/35/34/635613534.db2.gz SXKQDWZZPFVYHU-ZDUSSCGKSA-N 2 1 255.365 2.406 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000904406645 635613762 /nfs/dbraw/zinc/61/37/62/635613762.db2.gz SXKQDWZZPFVYHU-CYBMUJFWSA-N 2 1 255.365 2.406 20 0 CEADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H](CC[NH3+])C3)s2)cn1 ZINC000904406681 635614170 /nfs/dbraw/zinc/61/41/70/635614170.db2.gz YGZPPDKWZPAYMP-GFCCVEGCSA-N 2 1 290.436 2.319 20 0 CEADMP C[C@H]1C[N@@H+](Cc2scnc2C2CC2)CC[C@H]1C[NH3+] ZINC000904409814 635614980 /nfs/dbraw/zinc/61/49/80/635614980.db2.gz JAXUUYKYHAYVBP-JQWIXIFHSA-N 2 1 265.426 2.437 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@H]1C[NH3+] ZINC000904411201 635619249 /nfs/dbraw/zinc/61/92/49/635619249.db2.gz JQIHLKVXTRMDFX-HIFRSBDPSA-N 2 1 284.407 2.493 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000904411732 635619435 /nfs/dbraw/zinc/61/94/35/635619435.db2.gz XHTHUFOOGBRWTN-HOCLYGCPSA-N 2 1 290.455 2.343 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc(OC)c1 ZINC000904412282 635620218 /nfs/dbraw/zinc/62/02/18/635620218.db2.gz RLGFRQHVIQSZGG-GXTWGEPZSA-N 2 1 278.396 2.121 20 0 CEADMP Cc1csc(C[C@@H]2CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n1 ZINC000904434635 635628335 /nfs/dbraw/zinc/62/83/35/635628335.db2.gz WTTPYIZEBMJJDP-RWMBFGLXSA-N 2 1 265.426 2.053 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000904418876 635631057 /nfs/dbraw/zinc/63/10/57/635631057.db2.gz GBUPNXRDTXASPH-OUCADQQQSA-N 2 1 250.361 2.456 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420368 635631115 /nfs/dbraw/zinc/63/11/15/635631115.db2.gz MASHXTRODAGLMS-NXOAAHMSSA-N 2 1 256.393 2.331 20 0 CEADMP COc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1C ZINC000904420125 635631625 /nfs/dbraw/zinc/63/16/25/635631625.db2.gz CGFQYBVFCYZZHR-LSDHHAIUSA-N 2 1 260.381 2.045 20 0 CEADMP C[C@](O)(C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)F ZINC000905241773 636192228 /nfs/dbraw/zinc/19/22/28/636192228.db2.gz GDHJZRPWCMYREX-HOCLYGCPSA-N 2 1 298.377 2.114 20 0 CEADMP C[C@@](O)(C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)F ZINC000905241772 636192604 /nfs/dbraw/zinc/19/26/04/636192604.db2.gz GDHJZRPWCMYREX-GOEBONIOSA-N 2 1 298.377 2.114 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000827318772 636291660 /nfs/dbraw/zinc/29/16/60/636291660.db2.gz JCCULIRWFPINKX-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+](CCC[NH2+]C[C@@](C)(O)C(F)F)C1CCCCC1 ZINC000905902341 636517232 /nfs/dbraw/zinc/51/72/32/636517232.db2.gz BJGBEAYKCPNSIV-CQSZACIVSA-N 2 1 278.387 2.247 20 0 CEADMP COc1ccc(Br)cc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906508796 636760527 /nfs/dbraw/zinc/76/05/27/636760527.db2.gz ZWQVYAHWLVCXJH-XYPYZODXSA-N 2 1 285.185 2.037 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC)C1 ZINC000906645058 636810527 /nfs/dbraw/zinc/81/05/27/636810527.db2.gz QVLGJORBCVUEKH-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC)C1 ZINC000906645058 636810530 /nfs/dbraw/zinc/81/05/30/636810530.db2.gz QVLGJORBCVUEKH-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CC)C1 ZINC000906645058 636810531 /nfs/dbraw/zinc/81/05/31/636810531.db2.gz QVLGJORBCVUEKH-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](CC)C[NH+]2CCCC2)C1 ZINC000906714750 636828190 /nfs/dbraw/zinc/82/81/90/636828190.db2.gz LQEDYOIZXVNEFJ-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000906794947 636855175 /nfs/dbraw/zinc/85/51/75/636855175.db2.gz XWFGUZBUCFBRIF-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000906794947 636855177 /nfs/dbraw/zinc/85/51/77/636855177.db2.gz XWFGUZBUCFBRIF-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000906794947 636855179 /nfs/dbraw/zinc/85/51/79/636855179.db2.gz XWFGUZBUCFBRIF-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@@H](C)C1 ZINC000910283251 637976714 /nfs/dbraw/zinc/97/67/14/637976714.db2.gz KVZMLWMAQQWYSF-KBPBESRZSA-N 2 1 283.460 2.096 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000836939557 638753257 /nfs/dbraw/zinc/75/32/57/638753257.db2.gz VJAGISRWRBPGQU-MQVJKMGUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000836939557 638753261 /nfs/dbraw/zinc/75/32/61/638753261.db2.gz VJAGISRWRBPGQU-MQVJKMGUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000836939557 638753265 /nfs/dbraw/zinc/75/32/65/638753265.db2.gz VJAGISRWRBPGQU-MQVJKMGUSA-N 2 1 295.471 2.240 20 0 CEADMP Clc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000166847587 639489736 /nfs/dbraw/zinc/48/97/36/639489736.db2.gz VDLMFXTWKKGDFJ-ZIAGYGMSSA-N 2 1 279.815 2.494 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000227686774 639601598 /nfs/dbraw/zinc/60/15/98/639601598.db2.gz VWBDBISPTYOUFF-RLAWYHOSSA-N 2 1 297.443 2.114 20 0 CEADMP C[N@@H+](Cc1ccc(SC(F)(F)F)cc1)C[C@@H](O)C[NH3+] ZINC000841091998 639654471 /nfs/dbraw/zinc/65/44/71/639654471.db2.gz JFPJLBBASOFPFW-JTQLQIEISA-N 2 1 294.342 2.050 20 0 CEADMP C[N@H+](Cc1ccc(SC(F)(F)F)cc1)C[C@@H](O)C[NH3+] ZINC000841091998 639654474 /nfs/dbraw/zinc/65/44/74/639654474.db2.gz JFPJLBBASOFPFW-JTQLQIEISA-N 2 1 294.342 2.050 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCCCCCO)C1 ZINC000173924737 639884035 /nfs/dbraw/zinc/88/40/35/639884035.db2.gz IZSYITWTHPSDDO-HNNXBMFYSA-N 2 1 256.434 2.203 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCCCCCO)C1 ZINC000173924737 639884052 /nfs/dbraw/zinc/88/40/52/639884052.db2.gz IZSYITWTHPSDDO-HNNXBMFYSA-N 2 1 256.434 2.203 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000843055628 640258110 /nfs/dbraw/zinc/25/81/10/640258110.db2.gz IMIJOFJYLATWIH-XSCHDIRWSA-N 2 1 254.418 2.393 20 0 CEADMP Clc1ncccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120198 640289703 /nfs/dbraw/zinc/28/97/03/640289703.db2.gz SPKJZGSJEHNDAC-UHFFFAOYSA-N 2 1 265.788 2.311 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000843353267 640400357 /nfs/dbraw/zinc/40/03/57/640400357.db2.gz DVXXOUVEXNEUHL-LSDHHAIUSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000843353267 640400362 /nfs/dbraw/zinc/40/03/62/640400362.db2.gz DVXXOUVEXNEUHL-LSDHHAIUSA-N 2 1 295.471 2.275 20 0 CEADMP CCCCOC(=O)[C@H](C)[NH+]1CCC(CC[NH2+]C)CC1 ZINC000843363573 640405241 /nfs/dbraw/zinc/40/52/41/640405241.db2.gz YFNLDDCYQFEUKL-ZDUSSCGKSA-N 2 1 270.417 2.040 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843364991 640405425 /nfs/dbraw/zinc/40/54/25/640405425.db2.gz ZNKLYCWEKJDTKN-SOUVJXGZSA-N 2 1 283.460 2.131 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843364991 640405428 /nfs/dbraw/zinc/40/54/28/640405428.db2.gz ZNKLYCWEKJDTKN-SOUVJXGZSA-N 2 1 283.460 2.131 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843386849 640413671 /nfs/dbraw/zinc/41/36/71/640413671.db2.gz OPOYARWJPXFTMW-HZPDHXFCSA-N 2 1 296.455 2.431 20 0 CEADMP CCCCCCNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843388624 640413729 /nfs/dbraw/zinc/41/37/29/640413729.db2.gz UOHRGWFOEBCMMV-JKSUJKDBSA-N 2 1 295.471 2.004 20 0 CEADMP COC[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C(C)C ZINC000929849303 640470757 /nfs/dbraw/zinc/47/07/57/640470757.db2.gz XEONQTLMCHTUOO-HRCADAONSA-N 2 1 268.445 2.321 20 0 CEADMP COC[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C(C)C ZINC000929849303 640470761 /nfs/dbraw/zinc/47/07/61/640470761.db2.gz XEONQTLMCHTUOO-HRCADAONSA-N 2 1 268.445 2.321 20 0 CEADMP COC[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C(C)C ZINC000929849303 640470764 /nfs/dbraw/zinc/47/07/64/640470764.db2.gz XEONQTLMCHTUOO-HRCADAONSA-N 2 1 268.445 2.321 20 0 CEADMP CC[N@H+](CCc1ccccn1)CC[C@@H]1CCC[NH2+]C1 ZINC000844222128 640635723 /nfs/dbraw/zinc/63/57/23/640635723.db2.gz VXRQIJJRDNMSSH-HNNXBMFYSA-N 2 1 261.413 2.336 20 0 CEADMP Cc1cc(NCCCC[N@@H+]2CCC[C@@H](C)C2)nc(N)[nH+]1 ZINC000917073334 640846510 /nfs/dbraw/zinc/84/65/10/640846510.db2.gz OGXNWUFREAOTQW-GFCCVEGCSA-N 2 1 277.416 2.291 20 0 CEADMP Cc1cc2oc(=O)cc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)c2cc1C ZINC000917198641 640864204 /nfs/dbraw/zinc/86/42/04/640864204.db2.gz IMNXYPBCDMWCRQ-HUUCEWRRSA-N 2 1 298.386 2.061 20 0 CEADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925474938 641099872 /nfs/dbraw/zinc/09/98/72/641099872.db2.gz SMRFHVGQMRPHLA-XJKSGUPXSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)CCCC[NH+]1CCCC1 ZINC000920768617 641198307 /nfs/dbraw/zinc/19/83/07/641198307.db2.gz GZWXGQQVYKIAAQ-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP C[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@H](C(F)(F)F)O1 ZINC000846219206 641227085 /nfs/dbraw/zinc/22/70/85/641227085.db2.gz KKMFCWNXOYJIJE-GHMZBOCLSA-N 2 1 268.323 2.157 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@H](C(F)(F)F)O1 ZINC000846219206 641227093 /nfs/dbraw/zinc/22/70/93/641227093.db2.gz KKMFCWNXOYJIJE-GHMZBOCLSA-N 2 1 268.323 2.157 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000846222554 641231615 /nfs/dbraw/zinc/23/16/15/641231615.db2.gz GJVBCMCUAVIFJP-GJZGRUSLSA-N 2 1 254.418 2.397 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000846226770 641234834 /nfs/dbraw/zinc/23/48/34/641234834.db2.gz BRKHAMWXNYKRMZ-BBWFWOEESA-N 3 1 297.487 2.256 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000877266633 650647086 /nfs/dbraw/zinc/64/70/86/650647086.db2.gz SZJPFJYAHKYTLQ-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000237637235 641364414 /nfs/dbraw/zinc/36/44/14/641364414.db2.gz GUIKYEOFTNXOAM-QLFBSQMISA-N 2 1 297.487 2.234 20 0 CEADMP CC[N@@H+](CCCNC(=O)C[C@@H]([NH3+])C1CC1)C1CCCCC1 ZINC000846689757 641394737 /nfs/dbraw/zinc/39/47/37/641394737.db2.gz SDCIINIIRXMSDU-MRXNPFEDSA-N 2 1 295.471 2.275 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000995107218 641687755 /nfs/dbraw/zinc/68/77/55/641687755.db2.gz PNZFWAXVCUGQDT-CABCVRRESA-N 2 1 295.471 2.001 20 0 CEADMP CSCC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848529914 642036909 /nfs/dbraw/zinc/03/69/09/642036909.db2.gz ZZEHIRPWNADDCU-ZFWWWQNUSA-N 2 1 286.485 2.361 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]C(C)C)C(C)(C)C1 ZINC000996672385 642126396 /nfs/dbraw/zinc/12/63/96/642126396.db2.gz GGDJKHRGDLGYSX-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996677603 642127197 /nfs/dbraw/zinc/12/71/97/642127197.db2.gz WANCZGFAHZLQRS-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000921523195 642191629 /nfs/dbraw/zinc/19/16/29/642191629.db2.gz GMAWUODKJNVVTN-KBPBESRZSA-N 2 1 274.474 2.219 20 0 CEADMP [NH2+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC1 ZINC000848981494 642204271 /nfs/dbraw/zinc/20/42/71/642204271.db2.gz GEBTYOHGQCENRW-LBPRGKRZSA-N 2 1 278.425 2.115 20 0 CEADMP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+](C)C1CCCCC1 ZINC000848987840 642210482 /nfs/dbraw/zinc/21/04/82/642210482.db2.gz HGKPPXVOMZMRJA-GFCCVEGCSA-N 2 1 254.422 2.163 20 0 CEADMP [NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC1 ZINC000848998272 642217619 /nfs/dbraw/zinc/21/76/19/642217619.db2.gz NFUUFRYNPNAAMT-ZDUSSCGKSA-N 2 1 292.452 2.190 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000848999086 642218541 /nfs/dbraw/zinc/21/85/41/642218541.db2.gz OICFSEVBJYDVNM-CQSZACIVSA-N 2 1 266.433 2.260 20 0 CEADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000849005113 642222271 /nfs/dbraw/zinc/22/22/71/642222271.db2.gz XSWWAJUAJVMMPW-ZDUSSCGKSA-N 2 1 286.423 2.453 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@@H]1C1CC1 ZINC000849040860 642251094 /nfs/dbraw/zinc/25/10/94/642251094.db2.gz DVKVIBNFSBRBIB-BZUAXINKSA-N 2 1 292.471 2.411 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)CC(F)(F)F ZINC000849042363 642252249 /nfs/dbraw/zinc/25/22/49/642252249.db2.gz KONITNZJNLSFPS-MNOVXSKESA-N 2 1 294.365 2.173 20 0 CEADMP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000849046856 642255545 /nfs/dbraw/zinc/25/55/45/642255545.db2.gz XUDXSSVQKHJEJO-BMFZPTHFSA-N 2 1 288.439 2.244 20 0 CEADMP CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997517259 642286184 /nfs/dbraw/zinc/28/61/84/642286184.db2.gz YCXHWNMAMJDEHV-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C[C@H]2CCCOC2)cc1 ZINC000849349838 642340510 /nfs/dbraw/zinc/34/05/10/642340510.db2.gz KSJDZXONQRWAMT-DJIMGWMZSA-N 2 1 274.408 2.148 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]C(C)C)CC1 ZINC000998289328 642382364 /nfs/dbraw/zinc/38/23/64/642382364.db2.gz DXFFEFWEGJIKGI-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cnc2ccccn12 ZINC000685470284 642575432 /nfs/dbraw/zinc/57/54/32/642575432.db2.gz DQKHETBHRRGHJA-HIFRSBDPSA-N 2 1 272.396 2.106 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000374697 642594588 /nfs/dbraw/zinc/59/45/88/642594588.db2.gz XFLMDHSAEYIUQD-CVEARBPZSA-N 2 1 295.471 2.238 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000850172451 642603217 /nfs/dbraw/zinc/60/32/17/642603217.db2.gz BQKBVONKMPPXEQ-UONOGXRCSA-N 2 1 276.428 2.260 20 0 CEADMP CCN(CCC[NH+](C)C)Cc1[nH+]cc(C)c(OC)c1C ZINC000877527933 650768670 /nfs/dbraw/zinc/76/86/70/650768670.db2.gz UPHDUPPEKNNDOH-UHFFFAOYSA-N 2 1 279.428 2.481 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(C)C)C1 ZINC001001010386 642676010 /nfs/dbraw/zinc/67/60/10/642676010.db2.gz STUPBXFSUPWLTI-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[C@@H]2CCC[C@@H]21 ZINC000850433390 642711532 /nfs/dbraw/zinc/71/15/32/642711532.db2.gz LXJJCHYZRQYFJU-CQJMVSDSSA-N 2 1 278.440 2.264 20 0 CEADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)[C@@H]2CCC[C@@H]21 ZINC000850433390 642711535 /nfs/dbraw/zinc/71/15/35/642711535.db2.gz LXJJCHYZRQYFJU-CQJMVSDSSA-N 2 1 278.440 2.264 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cccc2[nH]c(=O)oc21)C1CC1 ZINC000922170012 642931320 /nfs/dbraw/zinc/93/13/20/642931320.db2.gz DORAEELDKHHSFK-UHFFFAOYSA-N 2 1 289.379 2.497 20 0 CEADMP CS[C@H]1CCC[C@H]([N@@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000922274199 642994923 /nfs/dbraw/zinc/99/49/23/642994923.db2.gz UMIWNYZSFOCJOR-HOTGVXAUSA-N 2 1 299.528 2.230 20 0 CEADMP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1OCCCO1 ZINC000922281896 642998825 /nfs/dbraw/zinc/99/88/25/642998825.db2.gz ZFOZPSQSSUNONZ-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccoc3)C2)[C@@H]1C(C)C ZINC000922394285 643059835 /nfs/dbraw/zinc/05/98/35/643059835.db2.gz PQFICUJCJFGAAX-WCXIOVBPSA-N 2 1 292.423 2.239 20 0 CEADMP CCC(CC)[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000851747908 643144021 /nfs/dbraw/zinc/14/40/21/643144021.db2.gz YWRVSBNIFMFCRF-OAHLLOKOSA-N 2 1 256.434 2.341 20 0 CEADMP CCC(CC)[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000851747908 643144022 /nfs/dbraw/zinc/14/40/22/643144022.db2.gz YWRVSBNIFMFCRF-OAHLLOKOSA-N 2 1 256.434 2.341 20 0 CEADMP CCC(CC)[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000851747908 643144024 /nfs/dbraw/zinc/14/40/24/643144024.db2.gz YWRVSBNIFMFCRF-OAHLLOKOSA-N 2 1 256.434 2.341 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCOC(F)F)CC1 ZINC000851796353 643166702 /nfs/dbraw/zinc/16/67/02/643166702.db2.gz BQIREUJSXZVZSH-UHFFFAOYSA-N 2 1 250.333 2.032 20 0 CEADMP FC(F)OCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000851860231 643195680 /nfs/dbraw/zinc/19/56/80/643195680.db2.gz HZNCJLOWLVITBF-DGCLKSJQSA-N 2 1 274.355 2.174 20 0 CEADMP FC(F)OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000851860231 643195682 /nfs/dbraw/zinc/19/56/82/643195682.db2.gz HZNCJLOWLVITBF-DGCLKSJQSA-N 2 1 274.355 2.174 20 0 CEADMP FC(F)OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000851860231 643195689 /nfs/dbraw/zinc/19/56/89/643195689.db2.gz HZNCJLOWLVITBF-DGCLKSJQSA-N 2 1 274.355 2.174 20 0 CEADMP CO[C@@H]1CC[C@@H]([N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000851860346 643197044 /nfs/dbraw/zinc/19/70/44/643197044.db2.gz KHRSXYVYYFGZKL-ZIAGYGMSSA-N 2 1 251.374 2.081 20 0 CEADMP CO[C@@H]1CC[C@@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000851860346 643197046 /nfs/dbraw/zinc/19/70/46/643197046.db2.gz KHRSXYVYYFGZKL-ZIAGYGMSSA-N 2 1 251.374 2.081 20 0 CEADMP c1nonc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000851864340 643197996 /nfs/dbraw/zinc/19/79/96/643197996.db2.gz AZROSBWXJRQBBF-UHFFFAOYSA-N 2 1 278.400 2.158 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000922696310 643208816 /nfs/dbraw/zinc/20/88/16/643208816.db2.gz PHARQEBLZHEZAL-HZPDHXFCSA-N 2 1 275.396 2.196 20 0 CEADMP CO[C@H]1CC[C@@H](N2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000851890977 643211603 /nfs/dbraw/zinc/21/16/03/643211603.db2.gz ZESBXRYOEONUEZ-KGLIPLIRSA-N 2 1 252.402 2.114 20 0 CEADMP CO[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000851890977 643211606 /nfs/dbraw/zinc/21/16/06/643211606.db2.gz ZESBXRYOEONUEZ-KGLIPLIRSA-N 2 1 252.402 2.114 20 0 CEADMP CO[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000851890977 643211611 /nfs/dbraw/zinc/21/16/11/643211611.db2.gz ZESBXRYOEONUEZ-KGLIPLIRSA-N 2 1 252.402 2.114 20 0 CEADMP CCO[C@H](C[NH2+]C[C@@H](C)c1ccc(F)cc1)C[NH+](C)C ZINC000922758036 643248015 /nfs/dbraw/zinc/24/80/15/643248015.db2.gz OUIMBKAQBWYXDQ-CZUORRHYSA-N 2 1 282.403 2.486 20 0 CEADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)c1ccc(F)cc1)C2 ZINC000852109186 643311872 /nfs/dbraw/zinc/31/18/72/643311872.db2.gz XMUMNFINWRFTOE-SJORKVTESA-N 2 1 292.398 2.277 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)c1ccc(F)cc1)C2 ZINC000852109186 643311876 /nfs/dbraw/zinc/31/18/76/643311876.db2.gz XMUMNFINWRFTOE-SJORKVTESA-N 2 1 292.398 2.277 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)c1ccc(F)cc1)C2 ZINC000852109186 643311880 /nfs/dbraw/zinc/31/18/80/643311880.db2.gz XMUMNFINWRFTOE-SJORKVTESA-N 2 1 292.398 2.277 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)c1ccc(F)cc1)C2 ZINC000852109186 643311881 /nfs/dbraw/zinc/31/18/81/643311881.db2.gz XMUMNFINWRFTOE-SJORKVTESA-N 2 1 292.398 2.277 20 0 CEADMP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001005180469 643394018 /nfs/dbraw/zinc/39/40/18/643394018.db2.gz SKCRCNPNTDPDQV-GDBMZVCRSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1ccc(NCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000922927345 643455245 /nfs/dbraw/zinc/45/52/45/643455245.db2.gz GZNCOYQQPSJVBA-HUUCEWRRSA-N 2 1 274.412 2.018 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000852712540 643520783 /nfs/dbraw/zinc/52/07/83/643520783.db2.gz ROXDYOQCOKGKCE-ZNMIVQPWSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000852712540 643520784 /nfs/dbraw/zinc/52/07/84/643520784.db2.gz ROXDYOQCOKGKCE-ZNMIVQPWSA-N 2 1 254.418 2.096 20 0 CEADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001005883092 643526665 /nfs/dbraw/zinc/52/66/65/643526665.db2.gz CTNYNHOBWUYAHU-GJZGRUSLSA-N 2 1 295.471 2.048 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923271263 643630984 /nfs/dbraw/zinc/63/09/84/643630984.db2.gz NGVZRCNSMRLPNL-MRXNPFEDSA-N 2 1 266.429 2.125 20 0 CEADMP O[C@H](C[N@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000923281182 643637587 /nfs/dbraw/zinc/63/75/87/643637587.db2.gz KVFJFVDDSDYMRX-MRXNPFEDSA-N 2 1 278.371 2.076 20 0 CEADMP O[C@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000923281182 643637591 /nfs/dbraw/zinc/63/75/91/643637591.db2.gz KVFJFVDDSDYMRX-MRXNPFEDSA-N 2 1 278.371 2.076 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000923283177 643638888 /nfs/dbraw/zinc/63/88/88/643638888.db2.gz STPPJVTWDYNHLW-CQSZACIVSA-N 2 1 250.361 2.300 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000923283177 643638889 /nfs/dbraw/zinc/63/88/89/643638889.db2.gz STPPJVTWDYNHLW-CQSZACIVSA-N 2 1 250.361 2.300 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000923289674 643642833 /nfs/dbraw/zinc/64/28/33/643642833.db2.gz RUXOKJATAKTUDE-ILXRZTDVSA-N 2 1 256.434 2.377 20 0 CEADMP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000853092589 643650003 /nfs/dbraw/zinc/65/00/03/643650003.db2.gz CEDZTEDNJPLKTM-HNNXBMFYSA-N 2 1 277.387 2.432 20 0 CEADMP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000853092589 643650006 /nfs/dbraw/zinc/65/00/06/643650006.db2.gz CEDZTEDNJPLKTM-HNNXBMFYSA-N 2 1 277.387 2.432 20 0 CEADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303500 643650425 /nfs/dbraw/zinc/65/04/25/643650425.db2.gz DWHOZQRAXPOYHP-WCQYABFASA-N 2 1 296.361 2.336 20 0 CEADMP CCC[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306573 643651867 /nfs/dbraw/zinc/65/18/67/643651867.db2.gz NFDOISLSEZGZDI-INIZCTEOSA-N 2 1 292.398 2.416 20 0 CEADMP Cc1ccccc1[C@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312901 643652890 /nfs/dbraw/zinc/65/28/90/643652890.db2.gz SHLDTPBMKGFJDQ-HOTGVXAUSA-N 2 1 286.419 2.163 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316781 643656022 /nfs/dbraw/zinc/65/60/22/643656022.db2.gz WTBYFFFXPZUGPZ-BARDWOONSA-N 2 1 264.413 2.018 20 0 CEADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+](CC1CCCCC1)C1CC1 ZINC000923308692 643656938 /nfs/dbraw/zinc/65/69/38/643656938.db2.gz DZXFQFMYDWARFZ-MRXNPFEDSA-N 2 1 278.440 2.410 20 0 CEADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+](CC1CCCCC1)C1CC1 ZINC000923308691 643657226 /nfs/dbraw/zinc/65/72/26/643657226.db2.gz DZXFQFMYDWARFZ-INIZCTEOSA-N 2 1 278.440 2.410 20 0 CEADMP O[C@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(F)c(F)c1 ZINC000923328000 643660208 /nfs/dbraw/zinc/66/02/08/643660208.db2.gz RHMYKGVLGFDIMZ-OAHLLOKOSA-N 2 1 296.361 2.074 20 0 CEADMP C[N@H+](C[C@@H](O)c1ccc(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000923333575 643666034 /nfs/dbraw/zinc/66/60/34/643666034.db2.gz AZYCENMPEGUFSX-SWLSCSKDSA-N 2 1 284.350 2.072 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000923333575 643666036 /nfs/dbraw/zinc/66/60/36/643666036.db2.gz AZYCENMPEGUFSX-SWLSCSKDSA-N 2 1 284.350 2.072 20 0 CEADMP CC[N@@H+](C[C@@H](O)CCC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000923337365 643669173 /nfs/dbraw/zinc/66/91/73/643669173.db2.gz YTXNDGZHYZAVRB-CABCVRRESA-N 2 1 256.434 2.248 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000923349866 643673563 /nfs/dbraw/zinc/67/35/63/643673563.db2.gz XNQFWAKAXWVTKY-XHDPSFHLSA-N 2 1 284.350 2.059 20 0 CEADMP CCc1onc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000923346510 643676128 /nfs/dbraw/zinc/67/61/28/643676128.db2.gz ZQOMOVXTWLPMNC-AAEUAGOBSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000923346510 643676131 /nfs/dbraw/zinc/67/61/31/643676131.db2.gz ZQOMOVXTWLPMNC-AAEUAGOBSA-N 2 1 251.374 2.105 20 0 CEADMP O[C@@H](CCc1ccccc1)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923356527 643678203 /nfs/dbraw/zinc/67/82/03/643678203.db2.gz SKMVMKFKQXNQOB-ROUUACIJSA-N 2 1 288.435 2.056 20 0 CEADMP CC(C)CC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000923366045 643681083 /nfs/dbraw/zinc/68/10/83/643681083.db2.gz YUYGPGGKZPSMJF-ARFHVFGLSA-N 2 1 268.445 2.390 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000923366045 643681086 /nfs/dbraw/zinc/68/10/86/643681086.db2.gz YUYGPGGKZPSMJF-ARFHVFGLSA-N 2 1 268.445 2.390 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2[C@H](C)CCN[C@@H]2C)cc1 ZINC000923372939 643684157 /nfs/dbraw/zinc/68/41/57/643684157.db2.gz KJVHNVNVTZOPEU-RRCSTGOVSA-N 2 1 262.397 2.005 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2F)[C@@H]1CC[NH3+] ZINC000923386276 643691701 /nfs/dbraw/zinc/69/17/01/643691701.db2.gz JBLFZPFONBWUCY-HFBAOOFYSA-N 2 1 298.377 2.448 20 0 CEADMP C(C[N@H+]1CCS[C@@H]2COCC[C@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923387672 643692234 /nfs/dbraw/zinc/69/22/34/643692234.db2.gz JLWFWOFVEQEBGN-WFDRTZIDSA-N 2 1 296.480 2.113 20 0 CEADMP CC(C)[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C ZINC000923416527 643698950 /nfs/dbraw/zinc/69/89/50/643698950.db2.gz YJGQWLDHZPGVCE-NPYXIHBLSA-N 2 1 279.472 2.179 20 0 CEADMP CC(C)[C@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC000923416527 643698952 /nfs/dbraw/zinc/69/89/52/643698952.db2.gz YJGQWLDHZPGVCE-NPYXIHBLSA-N 2 1 279.472 2.179 20 0 CEADMP CC(C)[C@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1C ZINC000923416527 643698955 /nfs/dbraw/zinc/69/89/55/643698955.db2.gz YJGQWLDHZPGVCE-NPYXIHBLSA-N 2 1 279.472 2.179 20 0 CEADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000923414253 643701676 /nfs/dbraw/zinc/70/16/76/643701676.db2.gz BDDCSPDWNONBFG-HOTGVXAUSA-N 2 1 278.440 2.267 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000923478938 643731118 /nfs/dbraw/zinc/73/11/18/643731118.db2.gz JNQRBNYNLVWAQC-SECBINFHSA-N 2 1 262.275 2.469 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487487 643731246 /nfs/dbraw/zinc/73/12/46/643731246.db2.gz DKPJQPXPOPYAMJ-LSDHHAIUSA-N 2 1 283.460 2.132 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923478867 643731254 /nfs/dbraw/zinc/73/12/54/643731254.db2.gz IGMOORPYIIUFPP-HNAYVOBHSA-N 2 1 298.430 2.414 20 0 CEADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495618 643734347 /nfs/dbraw/zinc/73/43/47/643734347.db2.gz CZTVLBCCLWVBJB-ILXRZTDVSA-N 2 1 295.471 2.083 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1)C1CCCC1 ZINC000923488079 643735075 /nfs/dbraw/zinc/73/50/75/643735075.db2.gz DAIKQYLSFUMBHK-BPLDGKMQSA-N 2 1 254.418 2.108 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000923490151 643735243 /nfs/dbraw/zinc/73/52/43/643735243.db2.gz SMHIQTYOYWRFGT-LLVKDONJSA-N 2 1 290.342 2.046 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc(-c3ccsc3)no2)CC[C@H]1C[NH3+] ZINC000923498241 643740413 /nfs/dbraw/zinc/74/04/13/643740413.db2.gz GRRHEMQEVDDQGX-MNOVXSKESA-N 2 1 292.408 2.215 20 0 CEADMP COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499048 643740647 /nfs/dbraw/zinc/74/06/47/643740647.db2.gz QLFDNQKPYGTLPJ-YCPHGPKFSA-N 2 1 290.407 2.126 20 0 CEADMP CC(=O)c1ccccc1OCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923504213 643741898 /nfs/dbraw/zinc/74/18/98/643741898.db2.gz PYGYVJUHRCHRBH-ZFWWWQNUSA-N 2 1 290.407 2.185 20 0 CEADMP CCc1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923505495 643743576 /nfs/dbraw/zinc/74/35/76/643743576.db2.gz ACOJLZRLIYZXQL-ZFWWWQNUSA-N 2 1 289.423 2.104 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1C ZINC000923510977 643745915 /nfs/dbraw/zinc/74/59/15/643745915.db2.gz YUFUZBAMOJGQKQ-GJZGRUSLSA-N 2 1 289.423 2.159 20 0 CEADMP C(=C\[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1)\c1ccccc1 ZINC000923525906 643750470 /nfs/dbraw/zinc/75/04/70/643750470.db2.gz KYRRYEKNSHBBPD-CNZFZVQHSA-N 2 1 285.435 2.069 20 0 CEADMP C(=C/[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1)\c1ccccc1 ZINC000923525908 643750492 /nfs/dbraw/zinc/75/04/92/643750492.db2.gz KYRRYEKNSHBBPD-GFOMBABLSA-N 2 1 285.435 2.069 20 0 CEADMP Cn1cnc2cc(C[N@@H+]3CC[C@H]4[C@H](CC[NH+]4C)C3)ccc21 ZINC000877740644 650883755 /nfs/dbraw/zinc/88/37/55/650883755.db2.gz KUYSLFWIFLTJSM-ZBFHGGJFSA-N 2 1 284.407 2.099 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CC[C@H]4[C@H](CC[NH+]4C)C3)ccc21 ZINC000877740644 650883759 /nfs/dbraw/zinc/88/37/59/650883759.db2.gz KUYSLFWIFLTJSM-ZBFHGGJFSA-N 2 1 284.407 2.099 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@H]4[C@H](CC[N@@H+]4C)C3)ccc21 ZINC000877740644 650883760 /nfs/dbraw/zinc/88/37/60/650883760.db2.gz KUYSLFWIFLTJSM-ZBFHGGJFSA-N 2 1 284.407 2.099 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@H]4[C@H](CC[N@H+]4C)C3)ccc21 ZINC000877740644 650883764 /nfs/dbraw/zinc/88/37/64/650883764.db2.gz KUYSLFWIFLTJSM-ZBFHGGJFSA-N 2 1 284.407 2.099 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000838793553 644013253 /nfs/dbraw/zinc/01/32/53/644013253.db2.gz NVFCXYLKSNFHCN-MRXNPFEDSA-N 2 1 268.445 2.201 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000838918111 644069001 /nfs/dbraw/zinc/06/90/01/644069001.db2.gz ACRHWGDQTDPCBQ-CQSZACIVSA-N 2 1 284.444 2.287 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]C[C@H](CC)[NH+]1CCCC1 ZINC000838897564 644074177 /nfs/dbraw/zinc/07/41/77/644074177.db2.gz HCOYKWBSDNTESH-AWEZNQCLSA-N 2 1 284.444 2.430 20 0 CEADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H](O)c1ccccc1 ZINC000838989491 644112578 /nfs/dbraw/zinc/11/25/78/644112578.db2.gz SAJVQZVOOCJTOR-SJORKVTESA-N 2 1 287.407 2.310 20 0 CEADMP C/C(=C/C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C(C)(C)C ZINC000855345154 644312384 /nfs/dbraw/zinc/31/23/84/644312384.db2.gz NIGSAAMICIGSFF-ZSMUJPCHSA-N 2 1 297.487 2.367 20 0 CEADMP C/C(=C/C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C(C)(C)C ZINC000855345154 644312390 /nfs/dbraw/zinc/31/23/90/644312390.db2.gz NIGSAAMICIGSFF-ZSMUJPCHSA-N 2 1 297.487 2.367 20 0 CEADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CC)[C@H](C)C1 ZINC000754197443 644340011 /nfs/dbraw/zinc/34/00/11/644340011.db2.gz TXXDIKNORZYFEU-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CC)[C@H](C)C1 ZINC000754197443 644340015 /nfs/dbraw/zinc/34/00/15/644340015.db2.gz TXXDIKNORZYFEU-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000754197443 644340018 /nfs/dbraw/zinc/34/00/18/644340018.db2.gz TXXDIKNORZYFEU-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000754197443 644340025 /nfs/dbraw/zinc/34/00/25/644340025.db2.gz TXXDIKNORZYFEU-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CCCC[NH+]1CCCC1 ZINC000856282880 644627254 /nfs/dbraw/zinc/62/72/54/644627254.db2.gz HCGCAPVJFNCNPG-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858094359 645059573 /nfs/dbraw/zinc/05/95/73/645059573.db2.gz FEXPHBYJRYARTA-OAHLLOKOSA-N 2 1 289.423 2.009 20 0 CEADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858094359 645059577 /nfs/dbraw/zinc/05/95/77/645059577.db2.gz FEXPHBYJRYARTA-OAHLLOKOSA-N 2 1 289.423 2.009 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC2)OCCO3)CC1(C)C ZINC000858099244 645060222 /nfs/dbraw/zinc/06/02/22/645060222.db2.gz VSOHBKWGLMKHSZ-CQSZACIVSA-N 2 1 282.428 2.135 20 0 CEADMP C[NH+](C)CC1(C[NH2+]Cc2ccnc(F)c2)CCCC1 ZINC000858155935 645077177 /nfs/dbraw/zinc/07/71/77/645077177.db2.gz BODSFDPGCWDVGL-UHFFFAOYSA-N 2 1 265.376 2.432 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858160238 645078443 /nfs/dbraw/zinc/07/84/43/645078443.db2.gz FRSCGFJIQHLXRA-STQMWFEESA-N 2 1 299.459 2.362 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC2CC=CC2)s1 ZINC000858220626 645092010 /nfs/dbraw/zinc/09/20/10/645092010.db2.gz GSQORIIUIILSBT-UHFFFAOYSA-N 2 1 251.399 2.261 20 0 CEADMP C(C[NH+]1CCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000760843899 645200479 /nfs/dbraw/zinc/20/04/79/645200479.db2.gz KMXSNUSCKFVZFW-UHFFFAOYSA-N 2 1 265.445 2.033 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC2(C)COC2)cc1 ZINC000859214307 645423496 /nfs/dbraw/zinc/42/34/96/645423496.db2.gz WKMLXFKIFHXTHA-UHFFFAOYSA-N 2 1 262.397 2.217 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000762701062 645438924 /nfs/dbraw/zinc/43/89/24/645438924.db2.gz OIRZIJYQQWPXBB-UHFFFAOYSA-N 2 1 295.471 2.267 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000762701062 645438926 /nfs/dbraw/zinc/43/89/26/645438926.db2.gz OIRZIJYQQWPXBB-UHFFFAOYSA-N 2 1 295.471 2.267 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000762701062 645438929 /nfs/dbraw/zinc/43/89/29/645438929.db2.gz OIRZIJYQQWPXBB-UHFFFAOYSA-N 2 1 295.471 2.267 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC000763033328 645492898 /nfs/dbraw/zinc/49/28/98/645492898.db2.gz QMVNIEVBWGKKLZ-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859589429 645529021 /nfs/dbraw/zinc/52/90/21/645529021.db2.gz VBGGSEIZAHIODU-SFHVURJKSA-N 2 1 299.418 2.336 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859589429 645529026 /nfs/dbraw/zinc/52/90/26/645529026.db2.gz VBGGSEIZAHIODU-SFHVURJKSA-N 2 1 299.418 2.336 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859589429 645529032 /nfs/dbraw/zinc/52/90/32/645529032.db2.gz VBGGSEIZAHIODU-SFHVURJKSA-N 2 1 299.418 2.336 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCOC(F)(F)F)CC[N@@H+]1C ZINC000878163798 651020267 /nfs/dbraw/zinc/02/02/67/651020267.db2.gz WRRCCZLUMIOOSH-MNOVXSKESA-N 2 1 268.323 2.327 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCOC(F)(F)F)CC[N@H+]1C ZINC000878163798 651020269 /nfs/dbraw/zinc/02/02/69/651020269.db2.gz WRRCCZLUMIOOSH-MNOVXSKESA-N 2 1 268.323 2.327 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCCOC(F)(F)F)CC[NH+]1C ZINC000878163798 651020272 /nfs/dbraw/zinc/02/02/72/651020272.db2.gz WRRCCZLUMIOOSH-MNOVXSKESA-N 2 1 268.323 2.327 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCOC(F)(F)F)CC[NH+]1C ZINC000878163798 651020277 /nfs/dbraw/zinc/02/02/77/651020277.db2.gz WRRCCZLUMIOOSH-MNOVXSKESA-N 2 1 268.323 2.327 20 0 CEADMP CCC1(CC)C[N@H+](C[C@@H](O)C[NH+]2CCCC2)CCS1 ZINC000767001042 645944876 /nfs/dbraw/zinc/94/48/76/645944876.db2.gz PAIXPRGXCLLNOF-AWEZNQCLSA-N 2 1 286.485 2.051 20 0 CEADMP CCC1(CC)C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CCS1 ZINC000767001042 645944877 /nfs/dbraw/zinc/94/48/77/645944877.db2.gz PAIXPRGXCLLNOF-AWEZNQCLSA-N 2 1 286.485 2.051 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000767585142 646009484 /nfs/dbraw/zinc/00/94/84/646009484.db2.gz DFCKHTUVGNRXGX-QWRGUYRKSA-N 2 1 250.308 2.355 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CC[C@H](C(F)(F)F)C1 ZINC000767585142 646009444 /nfs/dbraw/zinc/00/94/44/646009444.db2.gz DFCKHTUVGNRXGX-QWRGUYRKSA-N 2 1 250.308 2.355 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](C(F)(F)F)C1 ZINC000767585142 646009467 /nfs/dbraw/zinc/00/94/67/646009467.db2.gz DFCKHTUVGNRXGX-QWRGUYRKSA-N 2 1 250.308 2.355 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](C(F)(F)F)C1 ZINC000767585142 646009471 /nfs/dbraw/zinc/00/94/71/646009471.db2.gz DFCKHTUVGNRXGX-QWRGUYRKSA-N 2 1 250.308 2.355 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000767585142 646009478 /nfs/dbraw/zinc/00/94/78/646009478.db2.gz DFCKHTUVGNRXGX-QWRGUYRKSA-N 2 1 250.308 2.355 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC000769513847 646280178 /nfs/dbraw/zinc/28/01/78/646280178.db2.gz GJNBIKBWLAFRGZ-OAHLLOKOSA-N 2 1 274.408 2.490 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC000769513847 646280181 /nfs/dbraw/zinc/28/01/81/646280181.db2.gz GJNBIKBWLAFRGZ-OAHLLOKOSA-N 2 1 274.408 2.490 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000769513847 646280182 /nfs/dbraw/zinc/28/01/82/646280182.db2.gz GJNBIKBWLAFRGZ-OAHLLOKOSA-N 2 1 274.408 2.490 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000769513847 646280186 /nfs/dbraw/zinc/28/01/86/646280186.db2.gz GJNBIKBWLAFRGZ-OAHLLOKOSA-N 2 1 274.408 2.490 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000773013307 646696486 /nfs/dbraw/zinc/69/64/86/646696486.db2.gz YFVLNQWMIOEGBK-FHLIZLRMSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000773013307 646696488 /nfs/dbraw/zinc/69/64/88/646696488.db2.gz YFVLNQWMIOEGBK-FHLIZLRMSA-N 2 1 288.435 2.400 20 0 CEADMP COCC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2C)CC1 ZINC000773059901 646700544 /nfs/dbraw/zinc/70/05/44/646700544.db2.gz OIJCNXUPGISHHO-UHFFFAOYSA-N 2 1 292.423 2.204 20 0 CEADMP Cc1ncc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000773083678 646705105 /nfs/dbraw/zinc/70/51/05/646705105.db2.gz VDASYGSIRFZBPS-OLZOCXBDSA-N 2 1 265.426 2.210 20 0 CEADMP Cc1cccc(NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000774259443 646826429 /nfs/dbraw/zinc/82/64/29/646826429.db2.gz JBSMJHHFQBOFOK-GOOCMWNKSA-N 2 1 274.412 2.017 20 0 CEADMP Cc1ncc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000774264663 646826921 /nfs/dbraw/zinc/82/69/21/646826921.db2.gz IQIHOVOSXUDGKL-YHWZYXNKSA-N 2 1 265.426 2.209 20 0 CEADMP CCC(O)(CC)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774382896 646840631 /nfs/dbraw/zinc/84/06/31/646840631.db2.gz WNSHSJWMXWDUHH-AGUYFDCRSA-N 2 1 254.418 2.142 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000864055007 646874699 /nfs/dbraw/zinc/87/46/99/646874699.db2.gz GCVVQOYUVJRWEO-LBPRGKRZSA-N 2 1 251.349 2.089 20 0 CEADMP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775362056 646945741 /nfs/dbraw/zinc/94/57/41/646945741.db2.gz FAQSPFIPFXMHPM-UTUOFQBUSA-N 2 1 274.499 2.296 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=[NH2+])NCCC1CC1 ZINC000864451030 647007049 /nfs/dbraw/zinc/00/70/49/647007049.db2.gz VAYWSYCUEFCSFX-CYBMUJFWSA-N 2 1 266.433 2.165 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000776167249 647029725 /nfs/dbraw/zinc/02/97/25/647029725.db2.gz LHGDJUANIAHDLS-HZSPNIEDSA-N 2 1 284.494 2.218 20 0 CEADMP C[NH+](C)CCn1cc(Nc2cc[nH+]cc2C(F)(F)F)cn1 ZINC000865482972 647318181 /nfs/dbraw/zinc/31/81/81/647318181.db2.gz CWESHRDPMOGBPD-UHFFFAOYSA-N 2 1 299.300 2.024 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@H](C1CCC1)[C@H]1CCCO1)C1CC1 ZINC000866238606 647686951 /nfs/dbraw/zinc/68/69/51/647686951.db2.gz MEFJMYHDQMXJDI-BZUAXINKSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000783216913 647695531 /nfs/dbraw/zinc/69/55/31/647695531.db2.gz WDFUEULSXQJELW-RHSMWYFYSA-N 2 1 274.408 2.407 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000783220406 647695741 /nfs/dbraw/zinc/69/57/41/647695741.db2.gz DTHSZWDXESBHME-QAPCUYQASA-N 2 1 287.451 2.322 20 0 CEADMP Cn1cc(C(F)F)c(CN[C@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000866568251 647827930 /nfs/dbraw/zinc/82/79/30/647827930.db2.gz SANJONUHOHLPIC-JKOKRWQUSA-N 2 1 298.381 2.320 20 0 CEADMP Cn1cc(C(F)F)c(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000866568251 647827935 /nfs/dbraw/zinc/82/79/35/647827935.db2.gz SANJONUHOHLPIC-JKOKRWQUSA-N 2 1 298.381 2.320 20 0 CEADMP Cn1cc(C(F)F)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000866568251 647827941 /nfs/dbraw/zinc/82/79/41/647827941.db2.gz SANJONUHOHLPIC-JKOKRWQUSA-N 2 1 298.381 2.320 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H](O)C2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000866638393 647852070 /nfs/dbraw/zinc/85/20/70/647852070.db2.gz HJBZGHXTKNEQSK-QAETUUGQSA-N 2 1 280.456 2.390 20 0 CEADMP CC(=O)Nc1cccc2c1C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000866684296 647868347 /nfs/dbraw/zinc/86/83/47/647868347.db2.gz LCBMCZYGBVQGSD-AWEZNQCLSA-N 2 1 287.407 2.003 20 0 CEADMP CC1(C)[C@H]([NH3+])c2ccccc2N1CCC[NH+]1CCOCC1 ZINC000866701476 647874128 /nfs/dbraw/zinc/87/41/28/647874128.db2.gz KFRRLYOTLFROQH-MRXNPFEDSA-N 2 1 289.423 2.007 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000866706309 647876671 /nfs/dbraw/zinc/87/66/71/647876671.db2.gz HHCGHTSMXFXQRC-UKRRQHHQSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000866706314 647876755 /nfs/dbraw/zinc/87/67/55/647876755.db2.gz HHCGHTSMXFXQRC-ZFWWWQNUSA-N 2 1 254.418 2.252 20 0 CEADMP Cc1nnsc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708135 647877880 /nfs/dbraw/zinc/87/78/80/647877880.db2.gz PRIRFXCJNKDBCT-CYBMUJFWSA-N 2 1 268.430 2.043 20 0 CEADMP Cc1nnsc1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708135 647877883 /nfs/dbraw/zinc/87/78/83/647877883.db2.gz PRIRFXCJNKDBCT-CYBMUJFWSA-N 2 1 268.430 2.043 20 0 CEADMP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)C1SCCS1 ZINC000866718188 647880326 /nfs/dbraw/zinc/88/03/26/647880326.db2.gz YOOHLWUJYJXNGF-NWDGAFQWSA-N 2 1 272.483 2.257 20 0 CEADMP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)C1SCCS1 ZINC000866718188 647880331 /nfs/dbraw/zinc/88/03/31/647880331.db2.gz YOOHLWUJYJXNGF-NWDGAFQWSA-N 2 1 272.483 2.257 20 0 CEADMP CC(C)CC(=O)N1CCC[N@@H+](CCCCCCC[NH3+])CC1 ZINC000866723319 647882682 /nfs/dbraw/zinc/88/26/82/647882682.db2.gz GOMXZECTULYIBM-UHFFFAOYSA-N 2 1 297.487 2.476 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]3[NH2+]CC[C@H]32)c1C ZINC000866725905 647884206 /nfs/dbraw/zinc/88/42/06/647884206.db2.gz RESHYUWRWWQNIK-DZGCQCFKSA-N 2 1 275.396 2.033 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)n(C)n1 ZINC000793523223 648769419 /nfs/dbraw/zinc/76/94/19/648769419.db2.gz DKECJJYOEQVHAU-DGCLKSJQSA-N 2 1 275.400 2.220 20 0 CEADMP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)CCCCCC[NH3+] ZINC000870979798 648969365 /nfs/dbraw/zinc/96/93/65/648969365.db2.gz SHRSKOIRMHHVJJ-MRXNPFEDSA-N 2 1 289.423 2.199 20 0 CEADMP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)CCCCCC[NH3+] ZINC000870979798 648969368 /nfs/dbraw/zinc/96/93/68/648969368.db2.gz SHRSKOIRMHHVJJ-MRXNPFEDSA-N 2 1 289.423 2.199 20 0 CEADMP C[C@@H]1C[C@@H](CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000871784710 649184522 /nfs/dbraw/zinc/18/45/22/649184522.db2.gz IXMNMTVZYYOJTA-WQGXVZNYSA-N 2 1 295.427 2.173 20 0 CEADMP C[C@@H]1C[C@@H](CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000871784710 649184525 /nfs/dbraw/zinc/18/45/25/649184525.db2.gz IXMNMTVZYYOJTA-WQGXVZNYSA-N 2 1 295.427 2.173 20 0 CEADMP CCO[C@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000871784477 649184601 /nfs/dbraw/zinc/18/46/01/649184601.db2.gz GJAUNSQCXZZCBV-JALIKCBVSA-N 2 1 295.427 2.173 20 0 CEADMP CCO[C@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000871784477 649184604 /nfs/dbraw/zinc/18/46/04/649184604.db2.gz GJAUNSQCXZZCBV-JALIKCBVSA-N 2 1 295.427 2.173 20 0 CEADMP Cc1noc(C)c1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785862 649185436 /nfs/dbraw/zinc/18/54/36/649185436.db2.gz YQXMRDKKXDPJMQ-YHWZYXNKSA-N 2 1 292.383 2.163 20 0 CEADMP Cc1noc(C)c1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785862 649185439 /nfs/dbraw/zinc/18/54/39/649185439.db2.gz YQXMRDKKXDPJMQ-YHWZYXNKSA-N 2 1 292.383 2.163 20 0 CEADMP CC1(C)CC[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000871979671 649235120 /nfs/dbraw/zinc/23/51/20/649235120.db2.gz CKDAEXOVCGNPNY-QGZVFWFLSA-N 2 1 274.408 2.108 20 0 CEADMP CC1(C)CC[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000871979671 649235123 /nfs/dbraw/zinc/23/51/23/649235123.db2.gz CKDAEXOVCGNPNY-QGZVFWFLSA-N 2 1 274.408 2.108 20 0 CEADMP CC1(C)CC[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000871979671 649235125 /nfs/dbraw/zinc/23/51/25/649235125.db2.gz CKDAEXOVCGNPNY-QGZVFWFLSA-N 2 1 274.408 2.108 20 0 CEADMP CC1(C)CC[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000871979671 649235127 /nfs/dbraw/zinc/23/51/27/649235127.db2.gz CKDAEXOVCGNPNY-QGZVFWFLSA-N 2 1 274.408 2.108 20 0 CEADMP C[C@@]1(C2CCCCC2)CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000871991834 649238787 /nfs/dbraw/zinc/23/87/87/649238787.db2.gz LIUMUQKIEDEEGV-SJORKVTESA-N 2 1 280.456 2.488 20 0 CEADMP C[C@@]1(C2CCCCC2)CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000871991834 649238789 /nfs/dbraw/zinc/23/87/89/649238789.db2.gz LIUMUQKIEDEEGV-SJORKVTESA-N 2 1 280.456 2.488 20 0 CEADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCOC1 ZINC000872053922 649256748 /nfs/dbraw/zinc/25/67/48/649256748.db2.gz NRQOIYHQYRHKGB-LSDHHAIUSA-N 2 1 252.402 2.043 20 0 CEADMP CC(C)OC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000872115537 649282484 /nfs/dbraw/zinc/28/24/84/649282484.db2.gz LKDDGTBJPBJAAZ-INIZCTEOSA-N 2 1 296.455 2.177 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC1(C)C ZINC000872122995 649284166 /nfs/dbraw/zinc/28/41/66/649284166.db2.gz QPAMNPFJRUOXAO-GFCCVEGCSA-N 2 1 289.379 2.496 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC1(C)C ZINC000872122995 649284167 /nfs/dbraw/zinc/28/41/67/649284167.db2.gz QPAMNPFJRUOXAO-GFCCVEGCSA-N 2 1 289.379 2.496 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000872128470 649286625 /nfs/dbraw/zinc/28/66/25/649286625.db2.gz RFXARZPBISZVFP-YIYPIFLZSA-N 2 1 282.428 2.179 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000872128470 649286620 /nfs/dbraw/zinc/28/66/20/649286620.db2.gz RFXARZPBISZVFP-YIYPIFLZSA-N 2 1 282.428 2.179 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000872128466 649287086 /nfs/dbraw/zinc/28/70/86/649287086.db2.gz RFXARZPBISZVFP-FQUUOJAGSA-N 2 1 282.428 2.179 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000872128466 649287090 /nfs/dbraw/zinc/28/70/90/649287090.db2.gz RFXARZPBISZVFP-FQUUOJAGSA-N 2 1 282.428 2.179 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000872142024 649291357 /nfs/dbraw/zinc/29/13/57/649291357.db2.gz HEOSWKONRRZTTM-DAXOMENPSA-N 2 1 264.413 2.160 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)C1CCCCC1 ZINC000872144089 649294064 /nfs/dbraw/zinc/29/40/64/649294064.db2.gz BXJXMECVXBNXTA-HUUCEWRRSA-N 2 1 266.429 2.443 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000872145152 649295795 /nfs/dbraw/zinc/29/57/95/649295795.db2.gz NEYCBBVXPAXJOI-CJNGLKHVSA-N 2 1 268.445 2.498 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000872305681 649351483 /nfs/dbraw/zinc/35/14/83/649351483.db2.gz LUZKRRMCXUEDGW-ZJIFWQFVSA-N 2 1 293.455 2.027 20 0 CEADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CN1CC[C@H](C)C1=O ZINC000872744034 649474463 /nfs/dbraw/zinc/47/44/63/649474463.db2.gz NFZZIOWNGYZUCG-HNNXBMFYSA-N 2 1 295.471 2.112 20 0 CEADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H](CO)C(C)(C)C ZINC000873208406 649589773 /nfs/dbraw/zinc/58/97/73/649589773.db2.gz VOIYOTWJQGXJBY-CQSZACIVSA-N 2 1 282.453 2.233 20 0 CEADMP CCOC(=O)C1CCC([NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000873234051 649603972 /nfs/dbraw/zinc/60/39/72/649603972.db2.gz BSQJVOVWIRSWEP-YMAMQOFZSA-N 2 1 296.455 2.476 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)C1CC[NH+](C)CC1 ZINC000873235250 649604418 /nfs/dbraw/zinc/60/44/18/649604418.db2.gz MQUDSGDDBWIBPJ-HIFRSBDPSA-N 3 1 267.461 2.085 20 0 CEADMP CC[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(OC)c1OC ZINC000873248123 649607882 /nfs/dbraw/zinc/60/78/82/649607882.db2.gz AABDONOUWQDVSU-BXUZGUMPSA-N 2 1 278.396 2.352 20 0 CEADMP C[C@@H]([NH2+]CCSCCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000873253420 649611111 /nfs/dbraw/zinc/61/11/11/649611111.db2.gz XKDBKYIZIMGZHE-ZJUUUORDSA-N 2 1 270.364 2.402 20 0 CEADMP [NH3+][C@H]1C[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000873257470 649612964 /nfs/dbraw/zinc/61/29/64/649612964.db2.gz HZEWCERHQCQWDJ-QAQDUYKDSA-N 3 1 287.451 2.020 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1noc2cc(F)ccc21 ZINC000873274906 649620922 /nfs/dbraw/zinc/62/09/22/649620922.db2.gz HKIPGJWXNJQUKE-DTWKUNHWSA-N 2 1 251.305 2.182 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000873281957 649623976 /nfs/dbraw/zinc/62/39/76/649623976.db2.gz DDHJBNWZFIIEDW-MNOVXSKESA-N 2 1 276.409 2.421 20 0 CEADMP Nc1cc(F)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000873289443 649628272 /nfs/dbraw/zinc/62/82/72/649628272.db2.gz UZTFESDEMRFDOY-CABCVRRESA-N 2 1 263.360 2.124 20 0 CEADMP Nc1cc(F)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000873289443 649628273 /nfs/dbraw/zinc/62/82/73/649628273.db2.gz UZTFESDEMRFDOY-CABCVRRESA-N 2 1 263.360 2.124 20 0 CEADMP Cc1nn(C)c(Cl)c1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878865142 651200534 /nfs/dbraw/zinc/20/05/34/651200534.db2.gz SYLWBBXVZVTULB-UHFFFAOYSA-N 2 1 296.846 2.300 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000879206561 651260245 /nfs/dbraw/zinc/26/02/45/651260245.db2.gz PDBLEURJFMJXIA-OAHLLOKOSA-N 2 1 294.439 2.280 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565029 651322979 /nfs/dbraw/zinc/32/29/79/651322979.db2.gz KHBSQXPHLKBVFE-OLZOCXBDSA-N 2 1 265.426 2.038 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565029 651322980 /nfs/dbraw/zinc/32/29/80/651322980.db2.gz KHBSQXPHLKBVFE-OLZOCXBDSA-N 2 1 265.426 2.038 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(C[C@H]3CCC4(CCC4)O3)CC[C@H]21 ZINC000879581129 651326704 /nfs/dbraw/zinc/32/67/04/651326704.db2.gz WSZHZMIBIPYGRF-RBSFLKMASA-N 2 1 264.413 2.114 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC4(CCC4)O3)CC[C@H]21 ZINC000879581129 651326705 /nfs/dbraw/zinc/32/67/05/651326705.db2.gz WSZHZMIBIPYGRF-RBSFLKMASA-N 2 1 264.413 2.114 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC4(CCC4)O3)CC[C@H]21 ZINC000879581129 651326706 /nfs/dbraw/zinc/32/67/06/651326706.db2.gz WSZHZMIBIPYGRF-RBSFLKMASA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC4(CCC4)O3)CC[C@H]21 ZINC000879581129 651326707 /nfs/dbraw/zinc/32/67/07/651326707.db2.gz WSZHZMIBIPYGRF-RBSFLKMASA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC4(CCC4)O3)CC[C@H]21 ZINC000879581129 651326708 /nfs/dbraw/zinc/32/67/08/651326708.db2.gz WSZHZMIBIPYGRF-RBSFLKMASA-N 2 1 264.413 2.114 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000880138181 651390049 /nfs/dbraw/zinc/39/00/49/651390049.db2.gz RUXDHIQLPCUNHO-HOTGVXAUSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000880138181 651390052 /nfs/dbraw/zinc/39/00/52/651390052.db2.gz RUXDHIQLPCUNHO-HOTGVXAUSA-N 2 1 276.428 2.140 20 0 CEADMP C(C1CCC1)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880201473 651400503 /nfs/dbraw/zinc/40/05/03/651400503.db2.gz MRDDRKVYESVTFB-HNNXBMFYSA-N 2 1 252.402 2.020 20 0 CEADMP C(C1CCC1)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880201473 651400504 /nfs/dbraw/zinc/40/05/04/651400504.db2.gz MRDDRKVYESVTFB-HNNXBMFYSA-N 2 1 252.402 2.020 20 0 CEADMP C1CCC([N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000880203872 651400924 /nfs/dbraw/zinc/40/09/24/651400924.db2.gz OKKJJNCHTNOATQ-AWEZNQCLSA-N 2 1 252.402 2.162 20 0 CEADMP C1CCC([N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000880203872 651400926 /nfs/dbraw/zinc/40/09/26/651400926.db2.gz OKKJJNCHTNOATQ-AWEZNQCLSA-N 2 1 252.402 2.162 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](CF)C2)CC1 ZINC000880236806 651406514 /nfs/dbraw/zinc/40/65/14/651406514.db2.gz JKBCILKECSGQLZ-MRXNPFEDSA-N 2 1 285.451 2.084 20 0 CEADMP C[C@H]1C[N@@H+](CCc2cccnc2)CCN1c1cc[nH+]cc1 ZINC000880259103 651411833 /nfs/dbraw/zinc/41/18/33/651411833.db2.gz MUESEYDADCIMRI-HNNXBMFYSA-N 2 1 282.391 2.230 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)CCN1c1cc[nH+]cc1 ZINC000880260128 651412020 /nfs/dbraw/zinc/41/20/20/651412020.db2.gz BFCAIKWELIIDNV-GDBMZVCRSA-N 2 1 275.396 2.161 20 0 CEADMP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nc1 ZINC000880261012 651412324 /nfs/dbraw/zinc/41/23/24/651412324.db2.gz SGDZOYCCAXXESL-HNNXBMFYSA-N 2 1 282.391 2.496 20 0 CEADMP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nc1 ZINC000880261012 651412325 /nfs/dbraw/zinc/41/23/25/651412325.db2.gz SGDZOYCCAXXESL-HNNXBMFYSA-N 2 1 282.391 2.496 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261436 651412508 /nfs/dbraw/zinc/41/25/08/651412508.db2.gz WAMVGYOYKYKHOM-LBPRGKRZSA-N 2 1 286.379 2.397 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261436 651412509 /nfs/dbraw/zinc/41/25/09/651412509.db2.gz WAMVGYOYKYKHOM-LBPRGKRZSA-N 2 1 286.379 2.397 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CCN1c1cc[nH+]cc1 ZINC000880263662 651412650 /nfs/dbraw/zinc/41/26/50/651412650.db2.gz ZRWLSSQIABKMKX-CABCVRRESA-N 2 1 275.396 2.019 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H]2CC3(CO2)CCOCC3)[C@@H]1C ZINC000883445566 652472756 /nfs/dbraw/zinc/47/27/56/652472756.db2.gz FJMVSNFVBRBTPW-KLHDSHLOSA-N 2 1 296.455 2.020 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H]2CC3(CO2)CCOCC3)[C@@H]1C ZINC000883445566 652472759 /nfs/dbraw/zinc/47/27/59/652472759.db2.gz FJMVSNFVBRBTPW-KLHDSHLOSA-N 2 1 296.455 2.020 20 0 CEADMP c1cc(C[N@@H+]2CC[NH2+]CCC23CCC3)cc2c1COC2 ZINC000883458962 652477265 /nfs/dbraw/zinc/47/72/65/652477265.db2.gz CVWUNCPANSIIOL-UHFFFAOYSA-N 2 1 272.392 2.435 20 0 CEADMP c1cc(C[N@H+]2CC[NH2+]CCC23CCC3)cc2c1COC2 ZINC000883458962 652477267 /nfs/dbraw/zinc/47/72/67/652477267.db2.gz CVWUNCPANSIIOL-UHFFFAOYSA-N 2 1 272.392 2.435 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925482134 652614870 /nfs/dbraw/zinc/61/48/70/652614870.db2.gz LLJOQIKVLZEMNO-ZIAGYGMSSA-N 2 1 255.450 2.214 20 0 CEADMP CCCCN(C)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925482134 652614874 /nfs/dbraw/zinc/61/48/74/652614874.db2.gz LLJOQIKVLZEMNO-ZIAGYGMSSA-N 2 1 255.450 2.214 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925482467 652713533 /nfs/dbraw/zinc/71/35/33/652713533.db2.gz MQDBFWBBIXIBKD-IAGOWNOFSA-N 2 1 281.488 2.476 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884191277 652747076 /nfs/dbraw/zinc/74/70/76/652747076.db2.gz ZPRTYSKDAXALGR-GJZGRUSLSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC=C(C)C ZINC001087523182 805666130 /nfs/dbraw/zinc/66/61/30/805666130.db2.gz MOTJVNPTJBKLFQ-XHSDSOJGSA-N 2 1 293.455 2.016 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC=C(C)C ZINC001087523182 805666133 /nfs/dbraw/zinc/66/61/33/805666133.db2.gz MOTJVNPTJBKLFQ-XHSDSOJGSA-N 2 1 293.455 2.016 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC=C(C)C ZINC001087523182 805666135 /nfs/dbraw/zinc/66/61/35/805666135.db2.gz MOTJVNPTJBKLFQ-XHSDSOJGSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001029739711 806057772 /nfs/dbraw/zinc/05/77/72/806057772.db2.gz KOZYFNROYLDFKK-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001029739711 806057780 /nfs/dbraw/zinc/05/77/80/806057780.db2.gz KOZYFNROYLDFKK-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001029739711 806057790 /nfs/dbraw/zinc/05/77/90/806057790.db2.gz KOZYFNROYLDFKK-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001088381506 806173085 /nfs/dbraw/zinc/17/30/85/806173085.db2.gz GEIGJDDSOWUYMM-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001088567562 806439490 /nfs/dbraw/zinc/43/94/90/806439490.db2.gz VUZWFERBEXLCRG-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+]1CC(Oc2ccc(CC[NH+](C)C)cc2)C1 ZINC001229657847 806513027 /nfs/dbraw/zinc/51/30/27/806513027.db2.gz PKIISTFLKCNQCW-UHFFFAOYSA-N 2 1 262.397 2.262 20 0 CEADMP CC(C)[NH+]1CC(Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC001168315663 806647759 /nfs/dbraw/zinc/64/77/59/806647759.db2.gz WKRIVGCELPQAPX-UHFFFAOYSA-N 2 1 259.275 2.027 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC001168315540 806649019 /nfs/dbraw/zinc/64/90/19/806649019.db2.gz YFACYMFYFWLBLR-NRXISQOPSA-N 2 1 254.418 2.096 20 0 CEADMP C[NH+](C)C1CCC(N2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001168322610 806653186 /nfs/dbraw/zinc/65/31/86/806653186.db2.gz SSAUKLVDMQUIPG-UHFFFAOYSA-N 2 1 291.483 2.277 20 0 CEADMP C[NH+](C)C1CCC([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CC1 ZINC001168322610 806653188 /nfs/dbraw/zinc/65/31/88/806653188.db2.gz SSAUKLVDMQUIPG-UHFFFAOYSA-N 3 1 291.483 2.277 20 0 CEADMP C[NH+](C)C1CCC([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001168322610 806653192 /nfs/dbraw/zinc/65/31/92/806653192.db2.gz SSAUKLVDMQUIPG-UHFFFAOYSA-N 3 1 291.483 2.277 20 0 CEADMP CCC[N@@H+](CC(=O)OCC)C1CCC([NH+](C)C)CC1 ZINC001168327386 806656644 /nfs/dbraw/zinc/65/66/44/806656644.db2.gz LOBARVNINJJEBB-UHFFFAOYSA-N 2 1 270.417 2.134 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCO[C@@H](c3ccncc3)C2)CC1 ZINC001168328145 806658565 /nfs/dbraw/zinc/65/85/65/806658565.db2.gz XEVOWTZFJMSRLB-OFLPRAFFSA-N 2 1 289.423 2.328 20 0 CEADMP COC(=O)[C@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168330177 806660012 /nfs/dbraw/zinc/66/00/12/806660012.db2.gz MLUTUCUEWNPNDF-NFOMZHRRSA-N 2 1 282.428 2.134 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)C[N@H+](C)C(C)C ZINC001142590327 806744324 /nfs/dbraw/zinc/74/43/24/806744324.db2.gz UKCCQTVNJORPCP-OAHLLOKOSA-N 2 1 289.423 2.462 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1F ZINC000697903763 806749400 /nfs/dbraw/zinc/74/94/00/806749400.db2.gz DUMDMBFKZKSSHA-NSHDSACASA-N 2 1 282.359 2.042 20 0 CEADMP c1[nH+]c(CNC2CC[NH+](CC3CC3)CC2)c2ccccn12 ZINC001168365852 806776316 /nfs/dbraw/zinc/77/63/16/806776316.db2.gz YNDBTKQXIDAAMK-UHFFFAOYSA-N 2 1 284.407 2.298 20 0 CEADMP C[C@@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)CC[C@@]1(C)O ZINC001168373703 806975253 /nfs/dbraw/zinc/97/52/53/806975253.db2.gz SUQWVEZEZFGDEN-RHSMWYFYSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+](C)CC1(CN2CCC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC001208185381 802377257 /nfs/dbraw/zinc/37/72/57/802377257.db2.gz CLOFOVXFKZWMHU-INIZCTEOSA-N 2 1 279.472 2.279 20 0 CEADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCC2CC2)CC1 ZINC001208684932 802401322 /nfs/dbraw/zinc/40/13/22/802401322.db2.gz NAFUNZLBHONBDT-MRXNPFEDSA-N 2 1 266.429 2.362 20 0 CEADMP Cc1cccc(NC(=O)C[N@@H+](C)CCCCCC[NH3+])c1 ZINC000710841985 809996718 /nfs/dbraw/zinc/99/67/18/809996718.db2.gz MUFCTEUQICQINK-UHFFFAOYSA-N 2 1 277.412 2.384 20 0 CEADMP CCCCCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210811775 802740937 /nfs/dbraw/zinc/74/09/37/802740937.db2.gz QYMWEUFLPJUQIR-INIZCTEOSA-N 2 1 297.487 2.489 20 0 CEADMP CC(C)=CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001266596484 802754942 /nfs/dbraw/zinc/75/49/42/802754942.db2.gz GMSUYOOFBZIFQX-INIZCTEOSA-N 2 1 293.455 2.018 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723640137 802913073 /nfs/dbraw/zinc/91/30/73/802913073.db2.gz OXAMDNQWEDFJOK-OWCLPIDISA-N 2 1 277.412 2.376 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)cc1Cl ZINC000723696343 802926328 /nfs/dbraw/zinc/92/63/28/802926328.db2.gz UKKJQTAISPMHAJ-LBPRGKRZSA-N 2 1 295.814 2.258 20 0 CEADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCOC1 ZINC000723966660 802978634 /nfs/dbraw/zinc/97/86/34/802978634.db2.gz AJGAXTZDZXQOEV-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132278953 812821970 /nfs/dbraw/zinc/82/19/70/812821970.db2.gz SYQKPNSLEUXYNO-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP COC[C@@]12CCCO[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001207280437 803120280 /nfs/dbraw/zinc/12/02/80/803120280.db2.gz SCNSDTXEMWTICM-RDJZCZTQSA-N 2 1 298.471 2.092 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001207282908 803126421 /nfs/dbraw/zinc/12/64/21/803126421.db2.gz QOJSDTMXBHOSLN-HNNXBMFYSA-N 2 1 277.412 2.123 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001207282908 803126423 /nfs/dbraw/zinc/12/64/23/803126423.db2.gz QOJSDTMXBHOSLN-HNNXBMFYSA-N 2 1 277.412 2.123 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CCC(C)C)CC1 ZINC001167640308 803228814 /nfs/dbraw/zinc/22/88/14/803228814.db2.gz MHBCIJQDECQOGC-UHFFFAOYSA-N 2 1 297.487 2.250 20 0 CEADMP CCCCC[N@@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001267245460 803286331 /nfs/dbraw/zinc/28/63/31/803286331.db2.gz LSRXVDJHCLYVKJ-UHFFFAOYSA-N 2 1 295.471 2.243 20 0 CEADMP C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001246875669 814335446 /nfs/dbraw/zinc/33/54/46/814335446.db2.gz ISZFAKDMOVEDGO-STQMWFEESA-N 2 1 250.361 2.441 20 0 CEADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001246875669 814335452 /nfs/dbraw/zinc/33/54/52/814335452.db2.gz ISZFAKDMOVEDGO-STQMWFEESA-N 2 1 250.361 2.441 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)C12CCC2 ZINC000405352055 803369030 /nfs/dbraw/zinc/36/90/30/803369030.db2.gz OSPMWGZVDVTNMY-QWHCGFSZSA-N 2 1 252.308 2.324 20 0 CEADMP [NH3+]CCC[C@@H]([NH3+])c1nnc(CCC2CCCCC2)o1 ZINC001217696562 803411818 /nfs/dbraw/zinc/41/18/18/803411818.db2.gz PSQYCBCQDRDUOW-GFCCVEGCSA-N 2 1 266.389 2.321 20 0 CEADMP Cc1cccc(C)c1C[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000725056074 803413582 /nfs/dbraw/zinc/41/35/82/803413582.db2.gz PMNSQLUTAPBYDM-UHFFFAOYSA-N 2 1 262.397 2.243 20 0 CEADMP Cc1cccc(C)c1C[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000725056074 803413585 /nfs/dbraw/zinc/41/35/85/803413585.db2.gz PMNSQLUTAPBYDM-UHFFFAOYSA-N 2 1 262.397 2.243 20 0 CEADMP C[C@]1(C(F)(F)F)C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000712720850 814767690 /nfs/dbraw/zinc/76/76/90/814767690.db2.gz NBKGXWVSNJJSKC-VXGBXAGGSA-N 2 1 280.334 2.029 20 0 CEADMP C[C@]1(C(F)(F)F)C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000712720850 814767693 /nfs/dbraw/zinc/76/76/93/814767693.db2.gz NBKGXWVSNJJSKC-VXGBXAGGSA-N 2 1 280.334 2.029 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)nc2)C[C@H]1C[NH3+] ZINC000708875821 803589049 /nfs/dbraw/zinc/58/90/49/803589049.db2.gz DMOCSGIDKVPMNO-GXSJLCMTSA-N 2 1 273.302 2.127 20 0 CEADMP Cc1ccn2cc(C[N@@H+](C)CC3CC[NH2+]CC3)nc2c1 ZINC001207443527 803624205 /nfs/dbraw/zinc/62/42/05/803624205.db2.gz UOGFOZZVXRAQPS-UHFFFAOYSA-N 2 1 272.396 2.074 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)[C@@H]1C ZINC000715406729 814954258 /nfs/dbraw/zinc/95/42/58/814954258.db2.gz YVIUZYFYKWRJOA-HPCJDURASA-N 2 1 266.429 2.392 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)[C@@H]1C ZINC000715406729 814954262 /nfs/dbraw/zinc/95/42/62/814954262.db2.gz YVIUZYFYKWRJOA-HPCJDURASA-N 2 1 266.429 2.392 20 0 CEADMP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267732243 803681869 /nfs/dbraw/zinc/68/18/69/803681869.db2.gz KIDWIXOQVMFXJX-ALLYREJPSA-N 2 1 295.471 2.264 20 0 CEADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1)[NH+](C)C ZINC001267732261 803681958 /nfs/dbraw/zinc/68/19/58/803681958.db2.gz KVSIJCPMQCCIDG-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CCCC[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001167733308 803699195 /nfs/dbraw/zinc/69/91/95/803699195.db2.gz ZFVAUXCZBNOPPU-OAHLLOKOSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715479167 814958737 /nfs/dbraw/zinc/95/87/37/814958737.db2.gz GFNSQNBMTMLFJT-PMOUVXMZSA-N 2 1 252.402 2.003 20 0 CEADMP CCCC(C[NH3+])(CCC)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001221374090 803721991 /nfs/dbraw/zinc/72/19/91/803721991.db2.gz VUSCCKCLOSTDJD-CQSZACIVSA-N 2 1 283.460 2.275 20 0 CEADMP CCCC[NH2+]CC1(NC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001267847080 803771247 /nfs/dbraw/zinc/77/12/47/803771247.db2.gz RPKFTQPWYKWPPW-UHFFFAOYSA-N 2 1 283.460 2.145 20 0 CEADMP CC(=O)[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207486282 803803065 /nfs/dbraw/zinc/80/30/65/803803065.db2.gz FTQKUGBOMJIVSK-HNNXBMFYSA-N 2 1 252.402 2.162 20 0 CEADMP c1cc(C[N@H+]2CCCSCC2)c2c(c1)C[NH2+]CC2 ZINC000123919592 803856286 /nfs/dbraw/zinc/85/62/86/803856286.db2.gz NFXWXPMXFVIIPH-UHFFFAOYSA-N 2 1 262.422 2.271 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1)C1CC1 ZINC000715535533 814973608 /nfs/dbraw/zinc/97/36/08/814973608.db2.gz LKWIEEFXDWMROO-IRXDYDNUSA-N 2 1 278.440 2.408 20 0 CEADMP COc1ccc(F)c(F)c1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222543555 803898588 /nfs/dbraw/zinc/89/85/88/803898588.db2.gz YGPOXPKOQDCGLO-UHFFFAOYSA-N 2 1 288.313 2.236 20 0 CEADMP CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001026931479 803916927 /nfs/dbraw/zinc/91/69/27/803916927.db2.gz GTFKZIYQTYCJQH-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)sn1 ZINC000715551837 814978787 /nfs/dbraw/zinc/97/87/87/814978787.db2.gz KICCLKZDIRJVSW-RYUDHWBXSA-N 2 1 253.415 2.414 20 0 CEADMP CNc1cc(NC2CCC(C)([NH+](C)C)CC2)nc[nH+]1 ZINC000715553678 814979013 /nfs/dbraw/zinc/97/90/13/814979013.db2.gz IKRNTJWIYCOGBF-UHFFFAOYSA-N 2 1 263.389 2.193 20 0 CEADMP C[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)(C)C ZINC000385456588 803951160 /nfs/dbraw/zinc/95/11/60/803951160.db2.gz CCHLQRTVYUSAGY-MCIONIFRSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)(C)C ZINC000385456588 803951168 /nfs/dbraw/zinc/95/11/68/803951168.db2.gz CCHLQRTVYUSAGY-MCIONIFRSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@@H]1CCCCN1 ZINC000715553482 814979440 /nfs/dbraw/zinc/97/94/40/814979440.db2.gz RUDPLGQTWAJKKC-CIDNJEQPSA-N 2 1 267.461 2.370 20 0 CEADMP C[NH+](C)C1(C)CCC([NH2+][C@@H]2C[C@H](N)C23CCC3)CC1 ZINC000715566771 814979854 /nfs/dbraw/zinc/97/98/54/814979854.db2.gz BFKIQGZUUWGUDL-RAFNIBEQSA-N 2 1 265.445 2.109 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027693850 804197944 /nfs/dbraw/zinc/19/79/44/804197944.db2.gz KSBWJRVEZQEPSX-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]C(C)C)CC1 ZINC001167815755 804361430 /nfs/dbraw/zinc/36/14/30/804361430.db2.gz ZOCFYUVUTFETPI-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2ncncc2C1 ZINC001167824158 804378789 /nfs/dbraw/zinc/37/87/89/804378789.db2.gz CAKJPXMJAOYAQW-AWEZNQCLSA-N 2 1 276.428 2.345 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H](C1)C2C(=O)OC ZINC001167833341 804411326 /nfs/dbraw/zinc/41/13/26/804411326.db2.gz AOTWKQKEQHNDQL-LSVZVQIISA-N 2 1 296.455 2.238 20 0 CEADMP CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001268180122 804529031 /nfs/dbraw/zinc/52/90/31/804529031.db2.gz LYKNGMDQQBKKPW-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)c2)CC1 ZINC001167898626 804595483 /nfs/dbraw/zinc/59/54/83/804595483.db2.gz SVZPZFJGDBDWSA-REPLKXPHSA-N 2 1 299.462 2.322 20 0 CEADMP CCCCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268377440 804639056 /nfs/dbraw/zinc/63/90/56/804639056.db2.gz ARDXRNDFODVRTO-CABCVRRESA-N 2 1 283.460 2.145 20 0 CEADMP C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268413375 804659812 /nfs/dbraw/zinc/65/98/12/804659812.db2.gz DYPUGSUAHRZUCV-CABCVRRESA-N 2 1 297.487 2.249 20 0 CEADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CC[NH2+]CCC(C)(C)C ZINC001268424012 804664560 /nfs/dbraw/zinc/66/45/60/804664560.db2.gz QXXRCFAWQPLYFK-CYBMUJFWSA-N 2 1 294.443 2.112 20 0 CEADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC1(C)COC1 ZINC001207801750 804690384 /nfs/dbraw/zinc/69/03/84/804690384.db2.gz RKWBPUXDUOAECR-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP C(C1CC1)[NH+]1CCC([NH+]2CCC3(CCOC3)CC2)CC1 ZINC001168374282 806981304 /nfs/dbraw/zinc/98/13/04/806981304.db2.gz YKEUUPDIHHZKKM-UHFFFAOYSA-N 2 1 278.440 2.363 20 0 CEADMP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268664137 804916863 /nfs/dbraw/zinc/91/68/63/804916863.db2.gz AMIIMCNOPCFJSL-CVEARBPZSA-N 2 1 297.487 2.390 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000710386174 804997216 /nfs/dbraw/zinc/99/72/16/804997216.db2.gz OMYBYXUSGAMBJC-ZIAGYGMSSA-N 2 1 297.443 2.070 20 0 CEADMP Cc1noc([C@@H]2CC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)n1 ZINC001168388005 807048605 /nfs/dbraw/zinc/04/86/05/807048605.db2.gz ZKAUUYHSWPEZFW-CQSZACIVSA-N 2 1 290.411 2.042 20 0 CEADMP Cc1noc([C@@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)n1 ZINC001168388005 807048614 /nfs/dbraw/zinc/04/86/14/807048614.db2.gz ZKAUUYHSWPEZFW-CQSZACIVSA-N 2 1 290.411 2.042 20 0 CEADMP C[C@@H]([NH3+])c1nccn1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958717 805292492 /nfs/dbraw/zinc/29/24/92/805292492.db2.gz JFWJRXPDYDBZQI-SQPSOYEMSA-N 2 1 274.412 2.481 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300002451 805488173 /nfs/dbraw/zinc/48/81/73/805488173.db2.gz RIINWMKEVQWOOK-UONOGXRCSA-N 2 1 252.402 2.149 20 0 CEADMP O[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167967569 805489729 /nfs/dbraw/zinc/48/97/29/805489729.db2.gz HLDWZQGQQJQVJT-UCHQMPSGSA-N 2 1 278.440 2.285 20 0 CEADMP CC/C=C/CC[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001270643353 805502696 /nfs/dbraw/zinc/50/26/96/805502696.db2.gz WMPALTMEKBYJAH-OZSKJFCKSA-N 2 1 295.471 2.265 20 0 CEADMP CC/C=C/CC[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001270643353 805502698 /nfs/dbraw/zinc/50/26/98/805502698.db2.gz WMPALTMEKBYJAH-OZSKJFCKSA-N 2 1 295.471 2.265 20 0 CEADMP CC/C=C/CC[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001270643353 805502701 /nfs/dbraw/zinc/50/27/01/805502701.db2.gz WMPALTMEKBYJAH-OZSKJFCKSA-N 2 1 295.471 2.265 20 0 CEADMP CC(C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167984807 805537472 /nfs/dbraw/zinc/53/74/72/805537472.db2.gz SDYVCWMOCDATDQ-JWTNVVGKSA-N 2 1 291.483 2.418 20 0 CEADMP CC(C)[N@H+]1CCN(C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001168395123 807070925 /nfs/dbraw/zinc/07/09/25/807070925.db2.gz MBESGDFUTZWVGG-HNNXBMFYSA-N 2 1 279.472 2.275 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716309076 815112059 /nfs/dbraw/zinc/11/20/59/815112059.db2.gz LDBNGRJYYOMZCJ-CABCVRRESA-N 2 1 266.429 2.397 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H]1CCC3(CCC3)CO1)C2 ZINC000716334884 815115872 /nfs/dbraw/zinc/11/58/72/815115872.db2.gz NEBBQSRHDAAEFX-OAGGEKHMSA-N 2 1 278.440 2.267 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1CCC3(CCC3)CO1)C2 ZINC000716334884 815115874 /nfs/dbraw/zinc/11/58/74/815115874.db2.gz NEBBQSRHDAAEFX-OAGGEKHMSA-N 2 1 278.440 2.267 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001089252562 807464810 /nfs/dbraw/zinc/46/48/10/807464810.db2.gz QTNUBSHAZKQFEJ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001089252562 807464814 /nfs/dbraw/zinc/46/48/14/807464814.db2.gz QTNUBSHAZKQFEJ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001089252562 807464817 /nfs/dbraw/zinc/46/48/17/807464817.db2.gz QTNUBSHAZKQFEJ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP [NH3+][C@H]1CCC[N@@H+](CCc2ccc(F)c(F)c2)CC1 ZINC001205093665 807570512 /nfs/dbraw/zinc/57/05/12/807570512.db2.gz DLZNHNSXIHBFAC-LBPRGKRZSA-N 2 1 254.324 2.321 20 0 CEADMP COc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc(OC)c1OC ZINC001205094889 807584760 /nfs/dbraw/zinc/58/47/60/807584760.db2.gz RITPVKWMQYYAGL-CYBMUJFWSA-N 2 1 294.395 2.026 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc(OC)c1OC ZINC001205094889 807584763 /nfs/dbraw/zinc/58/47/63/807584763.db2.gz RITPVKWMQYYAGL-CYBMUJFWSA-N 2 1 294.395 2.026 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)[C@H]1CCC[NH2+]1 ZINC000716600167 815131419 /nfs/dbraw/zinc/13/14/19/815131419.db2.gz GMTLYUNAYSPTER-MELADBBJSA-N 2 1 252.402 2.066 20 0 CEADMP CO[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000699281745 807670382 /nfs/dbraw/zinc/67/03/82/807670382.db2.gz JVRQINCOIRAXOK-OIYCOIKZSA-N 2 1 252.402 2.016 20 0 CEADMP CO[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000699290250 807674263 /nfs/dbraw/zinc/67/42/63/807674263.db2.gz FEWDSUKSEPOCLW-DKUMPPAJSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H](Cc1cccc(F)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001168496025 807820913 /nfs/dbraw/zinc/82/09/13/807820913.db2.gz HVIQRENOVGLTAL-YUELXQCFSA-N 2 1 262.372 2.250 20 0 CEADMP C[C@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001168496025 807820920 /nfs/dbraw/zinc/82/09/20/807820920.db2.gz HVIQRENOVGLTAL-YUELXQCFSA-N 2 1 262.372 2.250 20 0 CEADMP C[C@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001168496025 807820926 /nfs/dbraw/zinc/82/09/26/807820926.db2.gz HVIQRENOVGLTAL-YUELXQCFSA-N 2 1 262.372 2.250 20 0 CEADMP CCC(CC)C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001031439660 807958673 /nfs/dbraw/zinc/95/86/73/807958673.db2.gz IUPJSNAHLQGJNL-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP COC(=O)CCCCCCCCC[N@@H+]1CC[C@H]([NH3+])C1 ZINC001236170683 808002060 /nfs/dbraw/zinc/00/20/60/808002060.db2.gz YOOOIGVIKMRWMV-AWEZNQCLSA-N 2 1 270.417 2.313 20 0 CEADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@H]([NH3+])C1 ZINC001236170683 808002067 /nfs/dbraw/zinc/00/20/67/808002067.db2.gz YOOOIGVIKMRWMV-AWEZNQCLSA-N 2 1 270.417 2.313 20 0 CEADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171540386 815186840 /nfs/dbraw/zinc/18/68/40/815186840.db2.gz YJOSMJPUQWDDCA-GOEBONIOSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC1([NH2+]CC)CCCCC1 ZINC001120041472 815191675 /nfs/dbraw/zinc/19/16/75/815191675.db2.gz REOUHDNMWDXCIC-UHFFFAOYSA-N 2 1 283.460 2.147 20 0 CEADMP CN(C)C(=O)C1([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CCC1 ZINC001171629707 815201895 /nfs/dbraw/zinc/20/18/95/815201895.db2.gz DFDLSOGHZWXHLD-UHFFFAOYSA-N 2 1 295.471 2.238 20 0 CEADMP C([C@H]1CCSC1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC000257723438 815201946 /nfs/dbraw/zinc/20/19/46/815201946.db2.gz PZOXBKIRVKOIEL-CYBMUJFWSA-N 2 1 254.443 2.205 20 0 CEADMP C[N@H+]1C[C@@H]2C[C@H]1CN2C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639738 815214214 /nfs/dbraw/zinc/21/42/14/815214214.db2.gz REWWTBMJVUYLBF-STQMWFEESA-N 2 1 265.445 2.026 20 0 CEADMP CN1C[C@@H]2C[C@H]1C[N@@H+]2C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639738 815214216 /nfs/dbraw/zinc/21/42/16/815214216.db2.gz REWWTBMJVUYLBF-STQMWFEESA-N 2 1 265.445 2.026 20 0 CEADMP CN1C[C@@H]2C[C@H]1C[N@H+]2C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639738 815214219 /nfs/dbraw/zinc/21/42/19/815214219.db2.gz REWWTBMJVUYLBF-STQMWFEESA-N 2 1 265.445 2.026 20 0 CEADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205208741 808548815 /nfs/dbraw/zinc/54/88/15/808548815.db2.gz FMASERSNEQSTOL-KRWDZBQOSA-N 2 1 292.423 2.150 20 0 CEADMP C[C@H]1C[C@@H](N2CCC[C@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171727732 815219160 /nfs/dbraw/zinc/21/91/60/815219160.db2.gz GNKGWZBXJJKQFJ-BHYGNILZSA-N 2 1 273.424 2.073 20 0 CEADMP CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423621 815220884 /nfs/dbraw/zinc/22/08/84/815220884.db2.gz VRXPMOWPEHVMCM-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]1C[C@@H](n2cnc3c2C[NH2+]CC3)C[N@H+]1Cc1ccccc1 ZINC001171746703 815224403 /nfs/dbraw/zinc/22/44/03/815224403.db2.gz QZPSCOPHQIGVPM-GOEBONIOSA-N 2 1 296.418 2.364 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1CC1 ZINC001272774842 808648763 /nfs/dbraw/zinc/64/87/63/808648763.db2.gz ZNCMYWMOHMVYIQ-HOCLYGCPSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H]1C[C@@H](N2CC(C)([NH+](C)C)C2)C[N@H+]1Cc1ccccc1 ZINC001171763456 815226611 /nfs/dbraw/zinc/22/66/11/815226611.db2.gz PIVMZJDFBWOLEC-DOTOQJQBSA-N 2 1 287.451 2.285 20 0 CEADMP CCC1(Nc2cc(F)c(C[NH+](C)C)c(F)c2)C[NH2+]C1 ZINC001168586898 808678452 /nfs/dbraw/zinc/67/84/52/808678452.db2.gz NFJBNBKXYIWPFL-UHFFFAOYSA-N 2 1 269.339 2.190 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001171762581 815227449 /nfs/dbraw/zinc/22/74/49/815227449.db2.gz GVTLJMANTOGPHM-UHFFFAOYSA-N 2 1 285.476 2.250 20 0 CEADMP C[C@@H](CC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)[NH+](C)C ZINC001120583726 815241170 /nfs/dbraw/zinc/24/11/70/815241170.db2.gz YSMBERWWFRZUSF-HZMBPMFUSA-N 2 1 288.794 2.442 20 0 CEADMP [NH3+]CCc1c[nH+]cn1[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168675829 808905993 /nfs/dbraw/zinc/90/59/93/808905993.db2.gz HYLLURSIJSLKRM-GFCCVEGCSA-N 2 1 261.756 2.378 20 0 CEADMP CN1CC[C@@H]2CC[N@@H+](C[C@@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC000450694872 808941315 /nfs/dbraw/zinc/94/13/15/808941315.db2.gz IBHLUSUREIBBAO-JHJVBQTASA-N 2 1 258.356 2.448 20 0 CEADMP C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963527 815253532 /nfs/dbraw/zinc/25/35/32/815253532.db2.gz HVEIOHIPAAAAPR-HOCLYGCPSA-N 2 1 276.424 2.400 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000453214277 809042067 /nfs/dbraw/zinc/04/20/67/809042067.db2.gz JMYMZOVHWRFRLH-MGPQQGTHSA-N 2 1 254.418 2.264 20 0 CEADMP CO[C@H]1C[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C12CCC2 ZINC000453254756 809045596 /nfs/dbraw/zinc/04/55/96/809045596.db2.gz PREOFTVHJVCHMZ-RDBSUJKOSA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@H]1C[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C12CCC2 ZINC000453254756 809045603 /nfs/dbraw/zinc/04/56/03/809045603.db2.gz PREOFTVHJVCHMZ-RDBSUJKOSA-N 2 1 254.418 2.262 20 0 CEADMP COc1cccc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172101176 815281458 /nfs/dbraw/zinc/28/14/58/815281458.db2.gz XEOHKBXHCPXHMP-PHZGNYQRSA-N 2 1 289.423 2.238 20 0 CEADMP C[C@@H](CC[NH2+]Cc1cccc2c1NCCC2)[NH+](C)C ZINC000700563014 809321433 /nfs/dbraw/zinc/32/14/33/809321433.db2.gz IDYLPNYYOOHKED-ZDUSSCGKSA-N 2 1 261.413 2.475 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC)C1 ZINC001033576237 809343875 /nfs/dbraw/zinc/34/38/75/809343875.db2.gz VPIOBHNMOCFXQT-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC)C1 ZINC001033576237 809343881 /nfs/dbraw/zinc/34/38/81/809343881.db2.gz VPIOBHNMOCFXQT-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC)C1 ZINC001033576237 809343888 /nfs/dbraw/zinc/34/38/88/809343888.db2.gz VPIOBHNMOCFXQT-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@H+](CCn1ccnc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127677 815287756 /nfs/dbraw/zinc/28/77/56/815287756.db2.gz JHNYGOPYWLXLQX-MUJYYYPQSA-N 2 1 276.428 2.220 20 0 CEADMP CC[N@@H+](CCn1ccnc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127677 815287758 /nfs/dbraw/zinc/28/77/58/815287758.db2.gz JHNYGOPYWLXLQX-MUJYYYPQSA-N 2 1 276.428 2.220 20 0 CEADMP CC[NH+](CCn1ccnc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127677 815287760 /nfs/dbraw/zinc/28/77/60/815287760.db2.gz JHNYGOPYWLXLQX-MUJYYYPQSA-N 2 1 276.428 2.220 20 0 CEADMP CC[NH+](CCn1ccnc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127677 815287762 /nfs/dbraw/zinc/28/77/62/815287762.db2.gz JHNYGOPYWLXLQX-MUJYYYPQSA-N 2 1 276.428 2.220 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3OCC[C@@H]3C1)C2 ZINC001172129070 815288463 /nfs/dbraw/zinc/28/84/63/815288463.db2.gz VYNOUXUTTCVTHZ-RBGFHDKUSA-N 2 1 264.413 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3OCC[C@@H]3C1)C2 ZINC001172129070 815288466 /nfs/dbraw/zinc/28/84/66/815288466.db2.gz VYNOUXUTTCVTHZ-RBGFHDKUSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3OCC[C@@H]3C1)C2 ZINC001172129070 815288468 /nfs/dbraw/zinc/28/84/68/815288468.db2.gz VYNOUXUTTCVTHZ-RBGFHDKUSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H]3OCC[C@@H]3C1)C2 ZINC001172129070 815288471 /nfs/dbraw/zinc/28/84/71/815288471.db2.gz VYNOUXUTTCVTHZ-RBGFHDKUSA-N 2 1 264.413 2.113 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H]3OCC[C@@H]3C1)C2 ZINC001172129068 815288959 /nfs/dbraw/zinc/28/89/59/815288959.db2.gz VYNOUXUTTCVTHZ-OWYFMNJBSA-N 2 1 264.413 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H]3OCC[C@@H]3C1)C2 ZINC001172129068 815288963 /nfs/dbraw/zinc/28/89/63/815288963.db2.gz VYNOUXUTTCVTHZ-OWYFMNJBSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]3OCC[C@@H]3C1)C2 ZINC001172129068 815288966 /nfs/dbraw/zinc/28/89/66/815288966.db2.gz VYNOUXUTTCVTHZ-OWYFMNJBSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H]3OCC[C@@H]3C1)C2 ZINC001172129068 815288970 /nfs/dbraw/zinc/28/89/70/815288970.db2.gz VYNOUXUTTCVTHZ-OWYFMNJBSA-N 2 1 264.413 2.113 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC1CC(C)(C)C1 ZINC001128785773 809460183 /nfs/dbraw/zinc/46/01/83/809460183.db2.gz RLJCLEWCMUPTAI-OAHLLOKOSA-N 2 1 295.471 2.003 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172101914 815293892 /nfs/dbraw/zinc/29/38/92/815293892.db2.gz DBPCBZRKHVIWJX-BJWYYQGGSA-N 3 1 279.472 2.323 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172101914 815293894 /nfs/dbraw/zinc/29/38/94/815293894.db2.gz DBPCBZRKHVIWJX-BJWYYQGGSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](CO)C[N@H+]1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000702097438 809501182 /nfs/dbraw/zinc/50/11/82/809501182.db2.gz IRYXAUPRXFCACD-JQHSSLGASA-N 2 1 288.435 2.069 20 0 CEADMP C[C@H](CO)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702097438 809501187 /nfs/dbraw/zinc/50/11/87/809501187.db2.gz IRYXAUPRXFCACD-JQHSSLGASA-N 2 1 288.435 2.069 20 0 CEADMP C[C@H](CO)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702097438 809501191 /nfs/dbraw/zinc/50/11/91/809501191.db2.gz IRYXAUPRXFCACD-JQHSSLGASA-N 2 1 288.435 2.069 20 0 CEADMP C[C@H](CO)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702097438 809501197 /nfs/dbraw/zinc/50/11/97/809501197.db2.gz IRYXAUPRXFCACD-JQHSSLGASA-N 2 1 288.435 2.069 20 0 CEADMP C[C@H](CO)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702097438 809501203 /nfs/dbraw/zinc/50/12/03/809501203.db2.gz IRYXAUPRXFCACD-JQHSSLGASA-N 2 1 288.435 2.069 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCCOC1)C2 ZINC001172103905 815294107 /nfs/dbraw/zinc/29/41/07/815294107.db2.gz XWILDYOJYRSWPK-XQLPTFJDSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)C2 ZINC001172108245 815298225 /nfs/dbraw/zinc/29/82/25/815298225.db2.gz TWPGPPGINMPVIV-JHJNDJDLSA-N 2 1 266.429 2.142 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)C2 ZINC001172108245 815298227 /nfs/dbraw/zinc/29/82/27/815298227.db2.gz TWPGPPGINMPVIV-JHJNDJDLSA-N 2 1 266.429 2.142 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)c1cnccn1)C2 ZINC001172107985 815298434 /nfs/dbraw/zinc/29/84/34/815298434.db2.gz NDTHCGVIBLNIMF-QDMKHBRRSA-N 2 1 288.439 2.359 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110790 815299525 /nfs/dbraw/zinc/29/95/25/815299525.db2.gz PEUZHFYJIYYXLD-ARILJUKYSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172110790 815299526 /nfs/dbraw/zinc/29/95/26/815299526.db2.gz PEUZHFYJIYYXLD-ARILJUKYSA-N 2 1 252.402 2.016 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)c1ccccc1F)C2 ZINC001172111234 815300425 /nfs/dbraw/zinc/30/04/25/815300425.db2.gz OMQCIQBSRCINOI-VWPFQQQWSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)c1ccccc1F)C2 ZINC001172111234 815300430 /nfs/dbraw/zinc/30/04/30/815300430.db2.gz OMQCIQBSRCINOI-VWPFQQQWSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@]1(C)CC[C@H](O)CC1)C2 ZINC001172111514 815300770 /nfs/dbraw/zinc/30/07/70/815300770.db2.gz VBYHVLRCHHXWML-UCZXGBCZSA-N 2 1 266.429 2.285 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@]1(C)CC[C@H](O)CC1)C2 ZINC001172111514 815300775 /nfs/dbraw/zinc/30/07/75/815300775.db2.gz VBYHVLRCHHXWML-UCZXGBCZSA-N 2 1 266.429 2.285 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034396502 809600377 /nfs/dbraw/zinc/60/03/77/809600377.db2.gz GUWVKHWMAHRVRK-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001034396502 809600382 /nfs/dbraw/zinc/60/03/82/809600382.db2.gz GUWVKHWMAHRVRK-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034396502 809600384 /nfs/dbraw/zinc/60/03/84/809600384.db2.gz GUWVKHWMAHRVRK-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CC[NH+](CC3CC3)C1)C2 ZINC001172112981 815302373 /nfs/dbraw/zinc/30/23/73/815302373.db2.gz DEUJXTYKNDLYOZ-NXOAAHMSSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC001172112981 815302380 /nfs/dbraw/zinc/30/23/80/815302380.db2.gz DEUJXTYKNDLYOZ-NXOAAHMSSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC001172112981 815302384 /nfs/dbraw/zinc/30/23/84/815302384.db2.gz DEUJXTYKNDLYOZ-NXOAAHMSSA-N 2 1 277.456 2.076 20 0 CEADMP C[N@H+]([C@H]1CC[C@H](O)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172117417 815307030 /nfs/dbraw/zinc/30/70/30/815307030.db2.gz GTXYQXIULRNUEN-UCZXGBCZSA-N 2 1 266.429 2.237 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113576 815304388 /nfs/dbraw/zinc/30/43/88/815304388.db2.gz DPRXHXGRRMLSFE-JKJDWNRSSA-N 2 1 294.439 2.323 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113576 815304394 /nfs/dbraw/zinc/30/43/94/815304394.db2.gz DPRXHXGRRMLSFE-JKJDWNRSSA-N 2 1 294.439 2.323 20 0 CEADMP C[N@@H+]([C@H]1CC[C@H](O)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172117417 815307037 /nfs/dbraw/zinc/30/70/37/815307037.db2.gz GTXYQXIULRNUEN-UCZXGBCZSA-N 2 1 266.429 2.237 20 0 CEADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172117417 815307044 /nfs/dbraw/zinc/30/70/44/815307044.db2.gz GTXYQXIULRNUEN-UCZXGBCZSA-N 2 1 266.429 2.237 20 0 CEADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172117417 815307051 /nfs/dbraw/zinc/30/70/51/815307051.db2.gz GTXYQXIULRNUEN-UCZXGBCZSA-N 2 1 266.429 2.237 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCN1CCC(F)CC1)C2 ZINC001172117788 815304813 /nfs/dbraw/zinc/30/48/13/815304813.db2.gz NDPRBLSKFRRUSJ-MUJYYYPQSA-N 2 1 283.435 2.025 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCC(=O)C1)C2 ZINC001172116347 815306156 /nfs/dbraw/zinc/30/61/56/815306156.db2.gz GZWXLEJEBYKDOL-SYQHCUMBSA-N 2 1 250.386 2.103 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCC(=O)C1)C2 ZINC001172116347 815306163 /nfs/dbraw/zinc/30/61/63/815306163.db2.gz GZWXLEJEBYKDOL-SYQHCUMBSA-N 2 1 250.386 2.103 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cc3ccccc3o1)C2 ZINC000703567901 809668850 /nfs/dbraw/zinc/66/88/50/809668850.db2.gz VNFLEBBZQPVRIY-XJKSGUPXSA-N 2 1 256.349 2.474 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cc3ccccc3o1)C2 ZINC000703567901 809668852 /nfs/dbraw/zinc/66/88/52/809668852.db2.gz VNFLEBBZQPVRIY-XJKSGUPXSA-N 2 1 256.349 2.474 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC)CC2)C1 ZINC001034711947 809673926 /nfs/dbraw/zinc/67/39/26/809673926.db2.gz MGEALSJOAWBCQL-JYJNAYRXSA-N 2 1 295.471 2.145 20 0 CEADMP COC(=O)[C@@]1(C)CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121823 815312857 /nfs/dbraw/zinc/31/28/57/815312857.db2.gz TYKIYHVCUOYRKB-HLPPOEQASA-N 2 1 280.412 2.029 20 0 CEADMP COC(=O)[C@@]1(C)CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121823 815312863 /nfs/dbraw/zinc/31/28/63/815312863.db2.gz TYKIYHVCUOYRKB-HLPPOEQASA-N 2 1 280.412 2.029 20 0 CEADMP COC(=O)[C@@]1(C)CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121823 815312868 /nfs/dbraw/zinc/31/28/68/815312868.db2.gz TYKIYHVCUOYRKB-HLPPOEQASA-N 2 1 280.412 2.029 20 0 CEADMP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034775465 809689591 /nfs/dbraw/zinc/68/95/91/809689591.db2.gz AELWKIHYNXTMHA-JYJNAYRXSA-N 2 1 295.471 2.001 20 0 CEADMP COC(=O)[C@@]1(C)CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121823 815312872 /nfs/dbraw/zinc/31/28/72/815312872.db2.gz TYKIYHVCUOYRKB-HLPPOEQASA-N 2 1 280.412 2.029 20 0 CEADMP CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001034795646 809696014 /nfs/dbraw/zinc/69/60/14/809696014.db2.gz NMMKIKNKTFJZNC-JYJNAYRXSA-N 2 1 295.471 2.288 20 0 CEADMP C[N@H+]1CCC[C@H](CNCc2ccc(Cl)cn2)C1 ZINC000703887941 809702478 /nfs/dbraw/zinc/70/24/78/809702478.db2.gz YHJQPIFWNMLSTE-LLVKDONJSA-N 2 1 253.777 2.166 20 0 CEADMP C[NH+](C)C[C@@H]1CCCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121394 815312257 /nfs/dbraw/zinc/31/22/57/815312257.db2.gz FTDDRYMHKYZHCY-XUWVNRHRSA-N 2 1 265.445 2.028 20 0 CEADMP COC(=O)[C@H](C(C)C)N(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123456 815315061 /nfs/dbraw/zinc/31/50/61/815315061.db2.gz DFEHRIBJTLBMAV-YJNKXOJESA-N 2 1 282.428 2.131 20 0 CEADMP COC(=O)[C@H](C(C)C)[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123456 815315067 /nfs/dbraw/zinc/31/50/67/815315067.db2.gz DFEHRIBJTLBMAV-YJNKXOJESA-N 2 1 282.428 2.131 20 0 CEADMP COC(=O)[C@H](C(C)C)[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123456 815315073 /nfs/dbraw/zinc/31/50/73/815315073.db2.gz DFEHRIBJTLBMAV-YJNKXOJESA-N 2 1 282.428 2.131 20 0 CEADMP COC(=O)[C@H](C(C)C)[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123456 815315078 /nfs/dbraw/zinc/31/50/78/815315078.db2.gz DFEHRIBJTLBMAV-YJNKXOJESA-N 2 1 282.428 2.131 20 0 CEADMP COC(=O)[C@H](C(C)C)[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123456 815315084 /nfs/dbraw/zinc/31/50/84/815315084.db2.gz DFEHRIBJTLBMAV-YJNKXOJESA-N 2 1 282.428 2.131 20 0 CEADMP CCCOC1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172123141 815315154 /nfs/dbraw/zinc/31/51/54/815315154.db2.gz YMJKJVVSGHVMHX-WDNDVIMCSA-N 2 1 252.402 2.113 20 0 CEADMP CCCOC1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172123140 815315756 /nfs/dbraw/zinc/31/57/56/815315756.db2.gz YMJKJVVSGHVMHX-BTTYYORXSA-N 2 1 252.402 2.113 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000708368640 809927169 /nfs/dbraw/zinc/92/71/69/809927169.db2.gz RNRAZIZLUZWASG-SDDRHHMPSA-N 2 1 294.361 2.261 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](C)O1 ZINC000708391912 809928636 /nfs/dbraw/zinc/92/86/36/809928636.db2.gz YWIRYRLUTQSRLJ-DGCLKSJQSA-N 2 1 280.437 2.393 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](C)O1 ZINC000708391912 809928639 /nfs/dbraw/zinc/92/86/39/809928639.db2.gz YWIRYRLUTQSRLJ-DGCLKSJQSA-N 2 1 280.437 2.393 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C[C@H]1C[NH3+] ZINC000709704044 809953951 /nfs/dbraw/zinc/95/39/51/809953951.db2.gz XACAAOAPZRHVNY-MGPQQGTHSA-N 2 1 268.445 2.497 20 0 CEADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CC[N@H+](Cc3ccccc3)C1)[NH2+]2 ZINC000709354750 809960637 /nfs/dbraw/zinc/96/06/37/809960637.db2.gz PGIABEVJSUOMLA-QTUASDBPSA-N 2 1 299.462 2.380 20 0 CEADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CC[N@@H+](Cc3ccccc3)C1)[NH2+]2 ZINC000709354750 809960642 /nfs/dbraw/zinc/96/06/42/809960642.db2.gz PGIABEVJSUOMLA-QTUASDBPSA-N 2 1 299.462 2.380 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172218535 815336965 /nfs/dbraw/zinc/33/69/65/815336965.db2.gz XDWDWYUWMBOWSN-FFHGMXDLSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172219141 815337359 /nfs/dbraw/zinc/33/73/59/815337359.db2.gz KYOBPAAPKIGLKY-CHZLEKFTSA-N 2 1 252.402 2.159 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)C1CCCCC1 ZINC000923371529 810088137 /nfs/dbraw/zinc/08/81/37/810088137.db2.gz BSVMCALQYBJLOL-CVEARBPZSA-N 2 1 298.377 2.495 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)C1CCCCC1 ZINC000923371654 810089431 /nfs/dbraw/zinc/08/94/31/810089431.db2.gz CVZUJXAQWSRSRI-ZWKOTPCHSA-N 2 1 290.451 2.477 20 0 CEADMP CCOC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506248 810104331 /nfs/dbraw/zinc/10/43/31/810104331.db2.gz GXFKGRWOIBJMOK-UONOGXRCSA-N 2 1 282.428 2.040 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000711926112 810107075 /nfs/dbraw/zinc/10/70/75/810107075.db2.gz RFDOLKWZBCGFSX-HZPDHXFCSA-N 2 1 277.412 2.376 20 0 CEADMP C[N@@H+](C1CC1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172227399 815341881 /nfs/dbraw/zinc/34/18/81/815341881.db2.gz YRJJMASDQIDAOK-MQVJKMGUSA-N 2 1 264.413 2.255 20 0 CEADMP CSc1nc(N[C@@H](C)C[NH+](C)C)cc(N2CCCC2)[nH+]1 ZINC001163773101 810190351 /nfs/dbraw/zinc/19/03/51/810190351.db2.gz QXAOYKYEAVQBRH-NSHDSACASA-N 2 1 295.456 2.161 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)[C@H](C)C1 ZINC001172239009 815354093 /nfs/dbraw/zinc/35/40/93/815354093.db2.gz ZUHQBMSWOKLIDM-MOTUXRJWSA-N 2 1 264.413 2.181 20 0 CEADMP CC[C@H]1CCC[N@@H+]1C1CC[NH+](CCCOC)CC1 ZINC001172256210 815360653 /nfs/dbraw/zinc/36/06/53/815360653.db2.gz SECBLGXUOSDPDI-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP CC[C@H]1CCC[N@H+]1C1CC[NH+](CCCOC)CC1 ZINC001172256210 815360659 /nfs/dbraw/zinc/36/06/59/815360659.db2.gz SECBLGXUOSDPDI-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015795169 810355735 /nfs/dbraw/zinc/35/57/35/810355735.db2.gz MIOKJUZAQOVNIA-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CCC(C)C)C1 ZINC001164455884 810373285 /nfs/dbraw/zinc/37/32/85/810373285.db2.gz HLBPLGLJSQEPEZ-MRXNPFEDSA-N 2 1 297.487 2.250 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001017141229 810494740 /nfs/dbraw/zinc/49/47/40/810494740.db2.gz CFFAWBVPBNBERQ-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CO1 ZINC001172279906 815375019 /nfs/dbraw/zinc/37/50/19/815375019.db2.gz MEXVCWSYGMJZMZ-UONOGXRCSA-N 2 1 254.418 2.395 20 0 CEADMP CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001085225262 810698106 /nfs/dbraw/zinc/69/81/06/810698106.db2.gz OSOUCDRHFAUPBQ-BZUAXINKSA-N 2 1 295.471 2.286 20 0 CEADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172358355 815402533 /nfs/dbraw/zinc/40/25/33/815402533.db2.gz HDODZFWRGMNDBC-DGAVXFQQSA-N 2 1 270.417 2.071 20 0 CEADMP CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085688043 810876739 /nfs/dbraw/zinc/87/67/39/810876739.db2.gz AGOHKWHCJFIRDU-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085688043 810876744 /nfs/dbraw/zinc/87/67/44/810876744.db2.gz AGOHKWHCJFIRDU-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085688043 810876748 /nfs/dbraw/zinc/87/67/48/810876748.db2.gz AGOHKWHCJFIRDU-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005217 810909225 /nfs/dbraw/zinc/90/92/25/810909225.db2.gz JECWOPWYQXMSOF-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2C(C)C)C1 ZINC001085779287 810909595 /nfs/dbraw/zinc/90/95/95/810909595.db2.gz RMRIYRYDMFGFLX-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2C(C)C)C1 ZINC001085779287 810909600 /nfs/dbraw/zinc/90/96/00/810909600.db2.gz RMRIYRYDMFGFLX-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2C(C)C)C1 ZINC001085779287 810909607 /nfs/dbraw/zinc/90/96/07/810909607.db2.gz RMRIYRYDMFGFLX-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP COC(=O)C1(C)CCC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC001168772619 811014693 /nfs/dbraw/zinc/01/46/93/811014693.db2.gz MIEZTLMHKUHOJW-REWIBIJMSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)C1(C)CCC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC001168772619 811014699 /nfs/dbraw/zinc/01/46/99/811014699.db2.gz MIEZTLMHKUHOJW-REWIBIJMSA-N 2 1 282.428 2.038 20 0 CEADMP CC[C@H](CC(C)C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001172393293 815425581 /nfs/dbraw/zinc/42/55/81/815425581.db2.gz TYCQBDUCUJUZIO-OAHLLOKOSA-N 3 1 257.466 2.414 20 0 CEADMP CC[C@H](CC(C)C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001172393293 815425584 /nfs/dbraw/zinc/42/55/84/815425584.db2.gz TYCQBDUCUJUZIO-OAHLLOKOSA-N 3 1 257.466 2.414 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205995938 811294345 /nfs/dbraw/zinc/29/43/45/811294345.db2.gz SCJJAWULPGPOBM-XJKSGUPXSA-N 2 1 290.407 2.280 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001205996742 811348520 /nfs/dbraw/zinc/34/85/20/811348520.db2.gz YABYUPMPGPOGFM-XJKSGUPXSA-N 2 1 290.407 2.280 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001205996740 811349447 /nfs/dbraw/zinc/34/94/47/811349447.db2.gz YABYUPMPGPOGFM-CJNGLKHVSA-N 2 1 290.407 2.280 20 0 CEADMP CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001043198154 811358788 /nfs/dbraw/zinc/35/87/88/811358788.db2.gz DXYIKTFUPGBAGZ-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001043198154 811358795 /nfs/dbraw/zinc/35/87/95/811358795.db2.gz DXYIKTFUPGBAGZ-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169095373 811365825 /nfs/dbraw/zinc/36/58/25/811365825.db2.gz QIFGZLQFWOKRJV-MUJYYYPQSA-N 2 1 288.391 2.188 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169095373 811365836 /nfs/dbraw/zinc/36/58/36/811365836.db2.gz QIFGZLQFWOKRJV-MUJYYYPQSA-N 2 1 288.391 2.188 20 0 CEADMP CCOC(=O)CCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101355 811373827 /nfs/dbraw/zinc/37/38/27/811373827.db2.gz RWIMMDFHDCSNJT-QKDCVEJESA-N 2 1 282.428 2.325 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1COc3ccccc3C1)C2 ZINC001169079171 811376865 /nfs/dbraw/zinc/37/68/65/811376865.db2.gz JEJPEPONRNPKNV-JONQDZQNSA-N 2 1 272.392 2.205 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)C2 ZINC001169116492 811381965 /nfs/dbraw/zinc/38/19/65/811381965.db2.gz QQIYKYPNNMLBQI-ZQDZILKHSA-N 2 1 266.429 2.406 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169091885 811383384 /nfs/dbraw/zinc/38/33/84/811383384.db2.gz WZHCWIFDHQGKDU-PHZGNYQRSA-N 2 1 288.391 2.188 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169091885 811383391 /nfs/dbraw/zinc/38/33/91/811383391.db2.gz WZHCWIFDHQGKDU-PHZGNYQRSA-N 2 1 288.391 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])c1ccc(Cl)nc1)C2 ZINC001169092177 811385262 /nfs/dbraw/zinc/38/52/62/811385262.db2.gz ZJOFEALJNWUXME-ZSBIGDGJSA-N 2 1 278.787 2.275 20 0 CEADMP CCOC(=O)C[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169127136 811397027 /nfs/dbraw/zinc/39/70/27/811397027.db2.gz ZXBGSJIULYYLEI-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)C[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169127136 811397033 /nfs/dbraw/zinc/39/70/33/811397033.db2.gz ZXBGSJIULYYLEI-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)C[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169127136 811397039 /nfs/dbraw/zinc/39/70/39/811397039.db2.gz ZXBGSJIULYYLEI-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC3(C1)CC[NH+](CC1CC1)C3)C2 ZINC001169132947 811398256 /nfs/dbraw/zinc/39/82/56/811398256.db2.gz ADFILCIJJRJIDS-FVQHAEBGSA-N 2 1 289.467 2.029 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC3(C1)CC[N@H+](CC1CC1)C3)C2 ZINC001169132947 811398267 /nfs/dbraw/zinc/39/82/67/811398267.db2.gz ADFILCIJJRJIDS-FVQHAEBGSA-N 2 1 289.467 2.029 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N1CC3(C1)CC[N@@H+](CC1CC1)C3)C2 ZINC001169132947 811398272 /nfs/dbraw/zinc/39/82/72/811398272.db2.gz ADFILCIJJRJIDS-FVQHAEBGSA-N 2 1 289.467 2.029 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cncc(Cl)c1)C2 ZINC001169107479 811402113 /nfs/dbraw/zinc/40/21/13/811402113.db2.gz HUFZLSGPBIUZJH-ZSOGYDGISA-N 2 1 265.788 2.450 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cncc(Cl)c1)C2 ZINC001169107479 811402115 /nfs/dbraw/zinc/40/21/15/811402115.db2.gz HUFZLSGPBIUZJH-ZSOGYDGISA-N 2 1 265.788 2.450 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169108891 811403004 /nfs/dbraw/zinc/40/30/04/811403004.db2.gz DVVIEKCCAXGKPX-DGXTUMSLSA-N 2 1 265.445 2.074 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169108891 811403012 /nfs/dbraw/zinc/40/30/12/811403012.db2.gz DVVIEKCCAXGKPX-DGXTUMSLSA-N 3 1 265.445 2.074 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169108891 811403018 /nfs/dbraw/zinc/40/30/18/811403018.db2.gz DVVIEKCCAXGKPX-DGXTUMSLSA-N 3 1 265.445 2.074 20 0 CEADMP C[N@@H+](CCc1cccnc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143617 811411380 /nfs/dbraw/zinc/41/13/80/811411380.db2.gz GOZLVQHLHRVUDO-MUJYYYPQSA-N 2 1 259.397 2.181 20 0 CEADMP C[NH+](CCc1cccnc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169143617 811411385 /nfs/dbraw/zinc/41/13/85/811411385.db2.gz GOZLVQHLHRVUDO-MUJYYYPQSA-N 2 1 259.397 2.181 20 0 CEADMP C[NH+](CCc1cccnc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143617 811411389 /nfs/dbraw/zinc/41/13/89/811411389.db2.gz GOZLVQHLHRVUDO-MUJYYYPQSA-N 2 1 259.397 2.181 20 0 CEADMP CC(C)O[C@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169156429 811417265 /nfs/dbraw/zinc/41/72/65/811417265.db2.gz YEPHCIVBXDRJIS-XGUBFFRZSA-N 2 1 252.402 2.111 20 0 CEADMP CC(C)O[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169156429 811417270 /nfs/dbraw/zinc/41/72/70/811417270.db2.gz YEPHCIVBXDRJIS-XGUBFFRZSA-N 2 1 252.402 2.111 20 0 CEADMP CC(C)O[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169156429 811417271 /nfs/dbraw/zinc/41/72/71/811417271.db2.gz YEPHCIVBXDRJIS-XGUBFFRZSA-N 2 1 252.402 2.111 20 0 CEADMP CCN1CCC([NH2+]Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC001169224731 811437777 /nfs/dbraw/zinc/43/77/77/811437777.db2.gz NCKBPAKLXJGATM-UHFFFAOYSA-N 2 1 275.440 2.322 20 0 CEADMP CC[N@H+](CCNC(=O)OC(C)(C)C)C1CC[NH+](CC)CC1 ZINC001169262156 811452053 /nfs/dbraw/zinc/45/20/53/811452053.db2.gz UIYPODGBVKLYQA-UHFFFAOYSA-N 2 1 299.459 2.317 20 0 CEADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)C1CC[NH+](CC)CC1 ZINC001169262156 811452060 /nfs/dbraw/zinc/45/20/60/811452060.db2.gz UIYPODGBVKLYQA-UHFFFAOYSA-N 2 1 299.459 2.317 20 0 CEADMP CC[NH+]1CCC([N@@H+]2C[C@H]3CCC[C@@]3(COC)C2)CC1 ZINC001169254462 811465680 /nfs/dbraw/zinc/46/56/80/811465680.db2.gz XWBZQDAMAVFLTP-ZBFHGGJFSA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+]1CCC([N@H+]2C[C@H]3CCC[C@@]3(COC)C2)CC1 ZINC001169254462 811465683 /nfs/dbraw/zinc/46/56/83/811465683.db2.gz XWBZQDAMAVFLTP-ZBFHGGJFSA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC001169258925 811468226 /nfs/dbraw/zinc/46/82/26/811468226.db2.gz USIRECFXMDIAGB-HNNXBMFYSA-N 2 1 259.397 2.355 20 0 CEADMP CC[NH+]1CCC([N@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC001169258925 811468230 /nfs/dbraw/zinc/46/82/30/811468230.db2.gz USIRECFXMDIAGB-HNNXBMFYSA-N 2 1 259.397 2.355 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]C(C)C)C1 ZINC001045164084 811580087 /nfs/dbraw/zinc/58/00/87/811580087.db2.gz FOTWIOCOOQNHCN-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(=O)N1CCC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169596629 811581239 /nfs/dbraw/zinc/58/12/39/811581239.db2.gz NRNAOQGYTWKICX-XIRDDKMYSA-N 2 1 293.455 2.122 20 0 CEADMP CCOC(=O)N1CCC[C@@H]([N@@H+](CCC[NH3+])C(C)C)CC1 ZINC001169644696 811604004 /nfs/dbraw/zinc/60/40/04/811604004.db2.gz IOFVMSNOBYRUGL-CQSZACIVSA-N 2 1 285.432 2.057 20 0 CEADMP CCOC(=O)N1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001169652394 811607473 /nfs/dbraw/zinc/60/74/73/811607473.db2.gz OWUYUJKHCUMCON-GJZGRUSLSA-N 2 1 297.443 2.071 20 0 CEADMP C[N@H+]1CC[C@@H](c2ccc(-n3ccc(C[NH3+])c3)cc2)C1 ZINC001169727221 811629962 /nfs/dbraw/zinc/62/99/62/811629962.db2.gz QWEVOMDAZBIRBG-OAHLLOKOSA-N 2 1 255.365 2.355 20 0 CEADMP Cc1c(F)cccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206165547 815464871 /nfs/dbraw/zinc/46/48/71/815464871.db2.gz NZSMCFWJWUKUJW-KGLIPLIRSA-N 2 1 254.324 2.395 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCC(C)(C)C)C1 ZINC001046197599 811705734 /nfs/dbraw/zinc/70/57/34/811705734.db2.gz MSBSCVKMDVUNDR-PBHICJAKSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CCC(C)(C)C)C1 ZINC001046197599 811705743 /nfs/dbraw/zinc/70/57/43/811705743.db2.gz MSBSCVKMDVUNDR-PBHICJAKSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCC(C)(C)C)C1 ZINC001046197599 811705751 /nfs/dbraw/zinc/70/57/51/811705751.db2.gz MSBSCVKMDVUNDR-PBHICJAKSA-N 2 1 295.471 2.097 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206027286 811857292 /nfs/dbraw/zinc/85/72/92/811857292.db2.gz VSABBSWTGMHVKY-CHWSQXEVSA-N 2 1 278.396 2.208 20 0 CEADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653747 811923773 /nfs/dbraw/zinc/92/37/73/811923773.db2.gz FMTVMVKZBJEQFF-FZKCQIBNSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cnn3ccccc23)C1 ZINC001206566319 812109925 /nfs/dbraw/zinc/10/99/25/812109925.db2.gz ZRJXNDBWPMTCOV-MRXNPFEDSA-N 2 1 272.396 2.285 20 0 CEADMP CC(C)CCC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001112969495 812130762 /nfs/dbraw/zinc/13/07/62/812130762.db2.gz KBUUUMCYRCBHTI-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001112979842 812133015 /nfs/dbraw/zinc/13/30/15/812133015.db2.gz JBUPDHBKPBJXFN-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C1 ZINC001170118991 812166419 /nfs/dbraw/zinc/16/64/19/812166419.db2.gz VTBYMKMRBBBKDL-NUEKZKHPSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C1 ZINC001170118991 812166422 /nfs/dbraw/zinc/16/64/22/812166422.db2.gz VTBYMKMRBBBKDL-NUEKZKHPSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000396702785 812256745 /nfs/dbraw/zinc/25/67/45/812256745.db2.gz HPTPVXLDBZVYRB-GDBMZVCRSA-N 2 1 273.424 2.169 20 0 CEADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC001172770880 815515436 /nfs/dbraw/zinc/51/54/36/815515436.db2.gz HGBBOLQTVMHSLN-LQULJDIASA-N 2 1 282.428 2.310 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC001172778021 815518246 /nfs/dbraw/zinc/51/82/46/815518246.db2.gz DTYRUIWXFBHCTE-KBXIAJHMSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC001172778021 815518250 /nfs/dbraw/zinc/51/82/50/815518250.db2.gz DTYRUIWXFBHCTE-KBXIAJHMSA-N 2 1 282.428 2.038 20 0 CEADMP CC[C@H]1C[C@@H]([N@@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC001170220692 812340838 /nfs/dbraw/zinc/34/08/38/812340838.db2.gz IUQWXESIMYJRNW-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001172793719 815524341 /nfs/dbraw/zinc/52/43/41/815524341.db2.gz WEKPNJVFFGSGGS-UONOGXRCSA-N 2 1 294.439 2.325 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC001254522015 812436456 /nfs/dbraw/zinc/43/64/56/812436456.db2.gz AVHQQHIWLSIARR-HZPDHXFCSA-N 2 1 265.445 2.031 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CCCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC001254524513 812438198 /nfs/dbraw/zinc/43/81/98/812438198.db2.gz XFWFMSLATSEBCU-IAGOWNOFSA-N 2 1 279.472 2.421 20 0 CEADMP CO[C@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)C1 ZINC001172927318 815548159 /nfs/dbraw/zinc/54/81/59/815548159.db2.gz FSQVQPYLSIUZIG-HOTGVXAUSA-N 2 1 289.423 2.289 20 0 CEADMP CC[C@@H](C)C[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815528 812736024 /nfs/dbraw/zinc/73/60/24/812736024.db2.gz HVUMRDXUQMDEQS-OAHLLOKOSA-N 2 1 297.487 2.393 20 0 CEADMP CC(C)=CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132249142 812810870 /nfs/dbraw/zinc/81/08/70/812810870.db2.gz MDTPGJCNVGDXNU-HZPDHXFCSA-N 2 1 295.471 2.264 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC(C)C)C1 ZINC001132442045 812856693 /nfs/dbraw/zinc/85/66/93/812856693.db2.gz WAUXGXPJEXMEPQ-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC(C)C)C1 ZINC001132442045 812856704 /nfs/dbraw/zinc/85/67/04/812856704.db2.gz WAUXGXPJEXMEPQ-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC(C)C)C1 ZINC001132442045 812856714 /nfs/dbraw/zinc/85/67/14/812856714.db2.gz WAUXGXPJEXMEPQ-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]CCCC(C)C)C1 ZINC001132737816 812935667 /nfs/dbraw/zinc/93/56/67/812935667.db2.gz QVSFTVKGHWRONM-MRXNPFEDSA-N 2 1 297.487 2.250 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893808 812956742 /nfs/dbraw/zinc/95/67/42/812956742.db2.gz ZEPNYQDABQGXMX-GJZGRUSLSA-N 2 1 283.460 2.003 20 0 CEADMP [NH3+][C@H]1CCN(Cc2c[nH]c3nc(Cl)ccc23)CC[C@@H]1F ZINC001206184751 815566101 /nfs/dbraw/zinc/56/61/01/815566101.db2.gz KANOOLUXQGIJCW-RYUDHWBXSA-N 2 1 296.777 2.478 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206188328 815567304 /nfs/dbraw/zinc/56/73/04/815567304.db2.gz VGRUXQVEOSCXEE-HUUCEWRRSA-N 2 1 294.370 2.125 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052498578 812998507 /nfs/dbraw/zinc/99/85/07/812998507.db2.gz IJNLQTIVNORHRH-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001052498578 812998514 /nfs/dbraw/zinc/99/85/14/812998514.db2.gz IJNLQTIVNORHRH-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001052498578 812998522 /nfs/dbraw/zinc/99/85/22/812998522.db2.gz IJNLQTIVNORHRH-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515818 813000534 /nfs/dbraw/zinc/00/05/34/813000534.db2.gz JVCURPOFIPQYIG-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515818 813000537 /nfs/dbraw/zinc/00/05/37/813000537.db2.gz JVCURPOFIPQYIG-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515818 813000546 /nfs/dbraw/zinc/00/05/46/813000546.db2.gz JVCURPOFIPQYIG-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001133263556 813020225 /nfs/dbraw/zinc/02/02/25/813020225.db2.gz XNGYDZKYLOXNLG-JKSUJKDBSA-N 2 1 297.487 2.203 20 0 CEADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001133823622 813160454 /nfs/dbraw/zinc/16/04/54/813160454.db2.gz KRHDZQIXEVETEZ-HNNXBMFYSA-N 2 1 293.455 2.067 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4ncsc4C3)C[C@@H]2C1 ZINC001173142550 815602329 /nfs/dbraw/zinc/60/23/29/815602329.db2.gz BFODZYMALOLKQD-MJBXVCDLSA-N 2 1 291.464 2.274 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4ncsc4C3)C[C@@H]2C1 ZINC001173142550 815602332 /nfs/dbraw/zinc/60/23/32/815602332.db2.gz BFODZYMALOLKQD-MJBXVCDLSA-N 2 1 291.464 2.274 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4ncsc4C3)C[C@@H]2C1 ZINC001173142550 815602336 /nfs/dbraw/zinc/60/23/36/815602336.db2.gz BFODZYMALOLKQD-MJBXVCDLSA-N 2 1 291.464 2.274 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCCC(C)(C)[NH3+] ZINC000389857932 813256641 /nfs/dbraw/zinc/25/66/41/813256641.db2.gz CUPFKGCTSORVHC-GDBMZVCRSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCCC(C)(C)[NH3+] ZINC000389857932 813256645 /nfs/dbraw/zinc/25/66/45/813256645.db2.gz CUPFKGCTSORVHC-GDBMZVCRSA-N 2 1 275.440 2.224 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](C)COCc2ccccc2)C1 ZINC000390080399 813259285 /nfs/dbraw/zinc/25/92/85/813259285.db2.gz AACOAKAJDWDNPM-NVXWUHKLSA-N 2 1 276.424 2.381 20 0 CEADMP CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135599933 813475810 /nfs/dbraw/zinc/47/58/10/813475810.db2.gz HMXSLBBYEHEMRM-UONOGXRCSA-N 2 1 294.443 2.289 20 0 CEADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170827989 813476017 /nfs/dbraw/zinc/47/60/17/813476017.db2.gz QHUFJIMABCFYAO-RDJZCZTQSA-N 2 1 296.455 2.131 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820994 813490922 /nfs/dbraw/zinc/49/09/22/813490922.db2.gz HTHMJEJXTIDOKW-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820994 813490925 /nfs/dbraw/zinc/49/09/25/813490925.db2.gz HTHMJEJXTIDOKW-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820994 813490931 /nfs/dbraw/zinc/49/09/31/813490931.db2.gz HTHMJEJXTIDOKW-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001170904255 813631504 /nfs/dbraw/zinc/63/15/04/813631504.db2.gz MPWVNPLYAHJKJP-HNNXBMFYSA-N 2 1 269.352 2.152 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCNCC2)C[C@@H]1C ZINC001246085991 813675707 /nfs/dbraw/zinc/67/57/07/813675707.db2.gz BHULYCIRZOEAHU-OWCLPIDISA-N 2 1 267.461 2.086 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170949781 813676042 /nfs/dbraw/zinc/67/60/42/813676042.db2.gz OTVASMCQIAAQRB-TZMCWYRMSA-N 2 1 262.372 2.224 20 0 CEADMP C[C@H]1C[NH2+]C[C@@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001246100079 813690629 /nfs/dbraw/zinc/69/06/29/813690629.db2.gz NPHCWAVVKZPJHC-KGLIPLIRSA-N 3 1 267.461 2.085 20 0 CEADMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC001246154425 813713644 /nfs/dbraw/zinc/71/36/44/813713644.db2.gz XNXUHLDWTZGZFQ-IHRRRGAJSA-N 2 1 284.444 2.461 20 0 CEADMP C[C@@]1([NH2+][C@@H]2CCc3c(F)cccc3C2)CCC[NH2+]C1 ZINC001246190113 813724919 /nfs/dbraw/zinc/72/49/19/813724919.db2.gz PFRKZPWHBQQTGZ-CZUORRHYSA-N 2 1 262.372 2.415 20 0 CEADMP Fc1cc(F)c2c(c1)C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC001246188508 813726062 /nfs/dbraw/zinc/72/60/62/813726062.db2.gz ZBBVDMHHFZROQE-QWHCGFSZSA-N 2 1 266.335 2.164 20 0 CEADMP CCC[C@H](C)CC[C@@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C(=O)OC ZINC001246331489 813782111 /nfs/dbraw/zinc/78/21/11/813782111.db2.gz XKPFZZVCUVNYLM-YJNKXOJESA-N 2 1 284.444 2.332 20 0 CEADMP CCCC[C@H](CCC)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246402980 813813523 /nfs/dbraw/zinc/81/35/23/813813523.db2.gz ZAGGVFOSBUBJSC-STQMWFEESA-N 2 1 258.406 2.215 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000156369668 813841769 /nfs/dbraw/zinc/84/17/69/813841769.db2.gz HHXZWNVXBQRQME-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000156369668 813841776 /nfs/dbraw/zinc/84/17/76/813841776.db2.gz HHXZWNVXBQRQME-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000156369668 813841784 /nfs/dbraw/zinc/84/17/84/813841784.db2.gz HHXZWNVXBQRQME-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP C1CC2(C1)C[C@@H]([N@H+]1CCCC3(CC[NH2+]CC3)C1)CC[NH2+]2 ZINC001246522168 813889074 /nfs/dbraw/zinc/88/90/74/813889074.db2.gz IPJWLBAWUPOMIV-HNNXBMFYSA-N 3 1 277.456 2.127 20 0 CEADMP CC[NH+]1CCC[C@H]1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255662266 813921474 /nfs/dbraw/zinc/92/14/74/813921474.db2.gz JHHOZMWUCNHKFV-UYTSQGDYSA-N 2 1 265.445 2.076 20 0 CEADMP CC[NH+]1CCC[C@H]1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255662266 813921477 /nfs/dbraw/zinc/92/14/77/813921477.db2.gz JHHOZMWUCNHKFV-UYTSQGDYSA-N 2 1 265.445 2.076 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3[nH]nc4ccc(F)cc43)C[C@@H]2C1 ZINC001144192233 813983623 /nfs/dbraw/zinc/98/36/23/813983623.db2.gz AXOJWRHTHPLPEO-NEPJUHHUSA-N 2 1 288.370 2.086 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3[nH]nc4ccc(F)cc43)C[C@@H]2C1 ZINC001144192233 813983630 /nfs/dbraw/zinc/98/36/30/813983630.db2.gz AXOJWRHTHPLPEO-NEPJUHHUSA-N 2 1 288.370 2.086 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3[nH]nc4ccc(F)cc43)C[C@@H]2C1 ZINC001144192233 813983636 /nfs/dbraw/zinc/98/36/36/813983636.db2.gz AXOJWRHTHPLPEO-NEPJUHHUSA-N 2 1 288.370 2.086 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3[nH]nc4ccc(F)cc43)C[C@@H]2C1 ZINC001144192233 813983646 /nfs/dbraw/zinc/98/36/46/813983646.db2.gz AXOJWRHTHPLPEO-NEPJUHHUSA-N 2 1 288.370 2.086 20 0 CEADMP C[C@@]1([NH3+])CCC[N@H+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001246550195 813999887 /nfs/dbraw/zinc/99/98/87/813999887.db2.gz JHPFBUPQVACIJG-XJKSGUPXSA-N 2 1 262.372 2.496 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)CCO1 ZINC001246557853 814035863 /nfs/dbraw/zinc/03/58/63/814035863.db2.gz LOIUCLLNCQXJNS-GBJTYRQASA-N 2 1 254.418 2.251 20 0 CEADMP CC(C)=CCC[C@@H](C)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246565807 814057148 /nfs/dbraw/zinc/05/71/48/814057148.db2.gz ZQEHKZMPTCKJQZ-HUUCEWRRSA-N 2 1 254.418 2.297 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC001246565542 814059955 /nfs/dbraw/zinc/05/99/55/814059955.db2.gz HWKQVDBBZCRFRU-YJNKXOJESA-N 2 1 282.428 2.025 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001255964354 814062996 /nfs/dbraw/zinc/06/29/96/814062996.db2.gz RDZORTKYDKWHKJ-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001255964354 814063000 /nfs/dbraw/zinc/06/30/00/814063000.db2.gz RDZORTKYDKWHKJ-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100185658 814070395 /nfs/dbraw/zinc/07/03/95/814070395.db2.gz JNHIOBNBRARUGW-YMAMQOFZSA-N 2 1 295.471 2.001 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246568378 814071287 /nfs/dbraw/zinc/07/12/87/814071287.db2.gz OAMGLSFHNCNTDT-JYJNAYRXSA-N 3 1 269.477 2.414 20 0 CEADMP CCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001100606655 814159039 /nfs/dbraw/zinc/15/90/39/814159039.db2.gz PXEOQLUQOZMBDP-UIDBIOKJSA-N 2 1 295.471 2.001 20 0 CEADMP [NH3+]C[C@@H]1CCCC[N@H+]([C@H]2CCc3ncsc3C2)C1 ZINC001246583432 814159273 /nfs/dbraw/zinc/15/92/73/814159273.db2.gz QVDHHZKCUXQFII-RYUDHWBXSA-N 2 1 265.426 2.061 20 0 CEADMP CCOC(=O)CC[C@H](C)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246587808 814175100 /nfs/dbraw/zinc/17/51/00/814175100.db2.gz WPRLKTZLNCGCOI-ZFWWWQNUSA-N 2 1 270.417 2.169 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246646974 814244014 /nfs/dbraw/zinc/24/40/14/814244014.db2.gz REEDGNNESUTXOE-IXDOHACOSA-N 3 1 279.472 2.371 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCC1CCCCC1 ZINC001146718895 814313464 /nfs/dbraw/zinc/31/34/64/814313464.db2.gz KHBCYGATSPWWIC-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102497107 814391443 /nfs/dbraw/zinc/39/14/43/814391443.db2.gz BKUFVKUMXXYMHH-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCCCC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102497107 814391452 /nfs/dbraw/zinc/39/14/52/814391452.db2.gz BKUFVKUMXXYMHH-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCCCC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102497107 814391457 /nfs/dbraw/zinc/39/14/57/814391457.db2.gz BKUFVKUMXXYMHH-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCC1CC1 ZINC001147358243 814427053 /nfs/dbraw/zinc/42/70/53/814427053.db2.gz DAFZLXZWTKXHGU-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+](CC)C[C@@H]2CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246945959 814461451 /nfs/dbraw/zinc/46/14/51/814461451.db2.gz YPTDVGINLPKZPM-WCVJEAGWSA-N 3 1 267.461 2.227 20 0 CEADMP CC[C@@H]1C[C@H]([N@@H+](CC)C[C@@H]2CC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246945959 814461455 /nfs/dbraw/zinc/46/14/55/814461455.db2.gz YPTDVGINLPKZPM-WCVJEAGWSA-N 3 1 267.461 2.227 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CCn3ccnc3C2)CC1 ZINC001173110769 815582806 /nfs/dbraw/zinc/58/28/06/815582806.db2.gz XDTPDCNWWNOKLL-UHFFFAOYSA-N 2 1 276.428 2.352 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCn3ccnc3C2)CC1 ZINC001173110769 815582809 /nfs/dbraw/zinc/58/28/09/815582809.db2.gz XDTPDCNWWNOKLL-UHFFFAOYSA-N 2 1 276.428 2.352 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4c(F)cc(F)cc4C3)C[C@@H]2C1 ZINC001171382718 814725733 /nfs/dbraw/zinc/72/57/33/814725733.db2.gz CZBPPENOLNXOTC-VNHYZAJKSA-N 2 1 292.373 2.316 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4c(F)cc(F)cc4C3)C[C@@H]2C1 ZINC001171382718 814725738 /nfs/dbraw/zinc/72/57/38/814725738.db2.gz CZBPPENOLNXOTC-VNHYZAJKSA-N 2 1 292.373 2.316 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4c(F)cc(F)cc4C3)C[C@@H]2C1 ZINC001171382718 814725743 /nfs/dbraw/zinc/72/57/43/814725743.db2.gz CZBPPENOLNXOTC-VNHYZAJKSA-N 2 1 292.373 2.316 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713219227 814847076 /nfs/dbraw/zinc/84/70/76/814847076.db2.gz XQICIGFVCMVZIG-UHFFFAOYSA-N 2 1 265.426 2.212 20 0 CEADMP Cc1ncsc1CC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713219227 814847083 /nfs/dbraw/zinc/84/70/83/814847083.db2.gz XQICIGFVCMVZIG-UHFFFAOYSA-N 2 1 265.426 2.212 20 0 CEADMP O[C@@H](CC1CCCC1)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713242511 814847810 /nfs/dbraw/zinc/84/78/10/814847810.db2.gz LHOHAWRQTVEMFS-HNNXBMFYSA-N 2 1 266.429 2.146 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCOC(F)(F)F)[C@@H]1CC[NH3+] ZINC000713418876 814852437 /nfs/dbraw/zinc/85/24/37/814852437.db2.gz BYMMDMFAMYONJJ-WDEREUQCSA-N 2 1 268.323 2.362 20 0 CEADMP [NH3+]CCc1c[nH+]cn1[C@H]1CCc2c(F)cccc2C1 ZINC001171394419 814853448 /nfs/dbraw/zinc/85/34/48/814853448.db2.gz SNIXICFOGUOTHG-LBPRGKRZSA-N 2 1 259.328 2.253 20 0 CEADMP C[N@@H+](C[C@H]1CCC(C)(C)CO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000713588763 814865820 /nfs/dbraw/zinc/86/58/20/814865820.db2.gz WXGJSUJGRDHPAN-IZGVIRRGSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)O2)C[C@H]1C[NH3+] ZINC000714379452 814889622 /nfs/dbraw/zinc/88/96/22/814889622.db2.gz IUZMZBDHHIUDNK-MGPQQGTHSA-N 2 1 254.418 2.251 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000714381675 814898966 /nfs/dbraw/zinc/89/89/66/814898966.db2.gz XFOOKSIBMYRXEP-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001173169477 815621356 /nfs/dbraw/zinc/62/13/56/815621356.db2.gz IGOGSDAGOYSAJF-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP CC[N@H+]1CC[C@H](n2nc(-c3ccccc3)cc2C[NH3+])C1 ZINC001173351432 815687335 /nfs/dbraw/zinc/68/73/35/815687335.db2.gz BBNCYZAOHNHQJB-AWEZNQCLSA-N 2 1 270.380 2.276 20 0 CEADMP CCN1CC[C@@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173359266 815699489 /nfs/dbraw/zinc/69/94/89/815699489.db2.gz SQXWZPSOSQBQCB-BZUAXINKSA-N 2 1 267.461 2.309 20 0 CEADMP CN1CCC[C@@H]2C[N@H+](C3Cc4cc(F)c(F)cc4C3)C[C@@H]21 ZINC001173481938 815728015 /nfs/dbraw/zinc/72/80/15/815728015.db2.gz QOKDVZVKNXXKNA-DIFFPNOSSA-N 2 1 292.373 2.458 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc3c2CCC3)CC[C@H]1F ZINC001206212018 815803476 /nfs/dbraw/zinc/80/34/76/815803476.db2.gz RBQXMRUVWOMPNJ-HZPDHXFCSA-N 2 1 262.372 2.437 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3c2CCC3)CC[C@H]1F ZINC001206212018 815803484 /nfs/dbraw/zinc/80/34/84/815803484.db2.gz RBQXMRUVWOMPNJ-HZPDHXFCSA-N 2 1 262.372 2.437 20 0 CEADMP COc1ccc(C)cc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001138484799 815808804 /nfs/dbraw/zinc/80/88/04/815808804.db2.gz XXMNOTHHSBHPID-ZBFHGGJFSA-N 2 1 274.408 2.387 20 0 CEADMP COc1ccc(C)cc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001138484799 815808812 /nfs/dbraw/zinc/80/88/12/815808812.db2.gz XXMNOTHHSBHPID-ZBFHGGJFSA-N 2 1 274.408 2.387 20 0 CEADMP COc1ccc(C)cc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001138484799 815808819 /nfs/dbraw/zinc/80/88/19/815808819.db2.gz XXMNOTHHSBHPID-ZBFHGGJFSA-N 2 1 274.408 2.387 20 0 CEADMP CC[N@@H+]1C[C@H]2CN(Cc3c[nH]nc3C(C)(C)C)C[C@H]2C1 ZINC001138581666 815834923 /nfs/dbraw/zinc/83/49/23/815834923.db2.gz VNOVDAUJSDAPIR-OKILXGFUSA-N 2 1 276.428 2.091 20 0 CEADMP Cc1c[nH]c(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)n1 ZINC001138940748 815932015 /nfs/dbraw/zinc/93/20/15/815932015.db2.gz SCXDRYNMEBTYBH-UHFFFAOYSA-N 2 1 276.428 2.272 20 0 CEADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(=O)[nH]c2)CC1 ZINC001139468721 816030579 /nfs/dbraw/zinc/03/05/79/816030579.db2.gz PYQWMLXEIIZOFM-UHFFFAOYSA-N 2 1 277.412 2.339 20 0 CEADMP Cc1ccccc1OC[C@H](O)C[NH2+]CCC[N@H+](C)C(C)C ZINC000226390527 816059135 /nfs/dbraw/zinc/05/91/35/816059135.db2.gz OGIPSAHTSZAMIN-MRXNPFEDSA-N 2 1 294.439 2.055 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4n[nH]cc4c3)C2)C1 ZINC001140388109 816248572 /nfs/dbraw/zinc/24/85/72/816248572.db2.gz JPPIVAAOTRACDK-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4n[nH]cc4c3)C2)C1 ZINC001140388109 816248578 /nfs/dbraw/zinc/24/85/78/816248578.db2.gz JPPIVAAOTRACDK-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4n[nH]cc4c3)C2)C1 ZINC001140388109 816248588 /nfs/dbraw/zinc/24/85/88/816248588.db2.gz JPPIVAAOTRACDK-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4n[nH]cc4c3)C2)C1 ZINC001140388109 816248592 /nfs/dbraw/zinc/24/85/92/816248592.db2.gz JPPIVAAOTRACDK-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC1CC1 ZINC001176022559 816327538 /nfs/dbraw/zinc/32/75/38/816327538.db2.gz BQMGDYUCPYYETQ-CQSZACIVSA-N 2 1 283.460 2.003 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001140802996 816361641 /nfs/dbraw/zinc/36/16/41/816361641.db2.gz IRCUKGAMEFQRDP-CQSZACIVSA-N 2 1 270.380 2.233 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC001140802996 816361651 /nfs/dbraw/zinc/36/16/51/816361651.db2.gz IRCUKGAMEFQRDP-CQSZACIVSA-N 2 1 270.380 2.233 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@]12CCOC2 ZINC001140805048 816362011 /nfs/dbraw/zinc/36/20/11/816362011.db2.gz PSGPUZVUIJTVJX-OAHLLOKOSA-N 2 1 257.337 2.318 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@]12CCOC2 ZINC001140805048 816362019 /nfs/dbraw/zinc/36/20/19/816362019.db2.gz PSGPUZVUIJTVJX-OAHLLOKOSA-N 2 1 257.337 2.318 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]CC1CCCC1 ZINC001176857258 816492001 /nfs/dbraw/zinc/49/20/01/816492001.db2.gz UNRLJKBEQDDLCI-GASCZTMLSA-N 2 1 295.471 2.145 20 0 CEADMP CCC/C=C/CC[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176972318 816502416 /nfs/dbraw/zinc/50/24/16/816502416.db2.gz WGTHFQCAXNMDBX-BQYQJAHWSA-N 2 1 283.460 2.169 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCC(C)C ZINC001176992207 816504360 /nfs/dbraw/zinc/50/43/60/816504360.db2.gz JNZKDQTTYGUODN-OAHLLOKOSA-N 2 1 283.460 2.003 20 0 CEADMP CCCC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001177021359 816507823 /nfs/dbraw/zinc/50/78/23/816507823.db2.gz SHLQUCLRIHSOIL-MRXNPFEDSA-N 2 1 291.439 2.185 20 0 CEADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(N(C)C)c3)C[C@H]2C1 ZINC001141270032 816516239 /nfs/dbraw/zinc/51/62/39/816516239.db2.gz DJIUUOQVRWZFCY-HZPDHXFCSA-N 2 1 273.424 2.136 20 0 CEADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001206309487 816608110 /nfs/dbraw/zinc/60/81/10/816608110.db2.gz RSCCXHAJUNQNLV-HZPDHXFCSA-N 2 1 289.423 2.329 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(Cc3[nH]cnc3C(C)(C)C)C2)C1 ZINC001142234997 816644229 /nfs/dbraw/zinc/64/42/29/816644229.db2.gz MTDMJJLTGHFSJZ-INIZCTEOSA-N 2 1 276.428 2.235 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3ccccn3n2)CC1 ZINC001206326567 816727296 /nfs/dbraw/zinc/72/72/96/816727296.db2.gz PGISNESRXLTEOG-INIZCTEOSA-N 2 1 272.396 2.285 20 0 CEADMP C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cn2ccnc2)cc1 ZINC001178696651 816783160 /nfs/dbraw/zinc/78/31/60/816783160.db2.gz KZYHBKFTLUHRGG-INIZCTEOSA-N 2 1 298.390 2.354 20 0 CEADMP CN1CCC[C@H]2C[N@@H+](Cc3cccc4n[nH]cc43)C[C@@H]21 ZINC001143098458 816784334 /nfs/dbraw/zinc/78/43/34/816784334.db2.gz COBXXQIVIOYROS-BBRMVZONSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@@H+]1CCC[C@H]2CN(Cc3cccc4n[nH]cc43)C[C@@H]21 ZINC001143098458 816784342 /nfs/dbraw/zinc/78/43/42/816784342.db2.gz COBXXQIVIOYROS-BBRMVZONSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@H+]1CCC[C@H]2CN(Cc3cccc4n[nH]cc43)C[C@@H]21 ZINC001143098458 816784349 /nfs/dbraw/zinc/78/43/49/816784349.db2.gz COBXXQIVIOYROS-BBRMVZONSA-N 2 1 270.380 2.089 20 0 CEADMP CC(C)[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178705609 816787339 /nfs/dbraw/zinc/78/73/39/816787339.db2.gz VLYIRFBFTJIFRO-UHFFFAOYSA-N 2 1 283.460 2.145 20 0 CEADMP CCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178705611 816788586 /nfs/dbraw/zinc/78/85/86/816788586.db2.gz VQVWFIPAWUOSKS-UHFFFAOYSA-N 2 1 283.460 2.147 20 0 CEADMP CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001179337368 816855882 /nfs/dbraw/zinc/85/58/82/816855882.db2.gz NUGCDMPLQUPBNJ-JYJNAYRXSA-N 2 1 293.455 2.016 20 0 CEADMP CC[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H](C)[NH2+]1 ZINC000620899344 349456613 /nfs/dbraw/zinc/45/66/13/349456613.db2.gz DESGRNKRYBZQTE-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C(C)C ZINC000124480027 187139758 /nfs/dbraw/zinc/13/97/58/187139758.db2.gz PMRFAALLDMNOAZ-INIZCTEOSA-N 2 1 269.477 2.284 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1cccc2ccoc21 ZINC000449078947 282091461 /nfs/dbraw/zinc/09/14/61/282091461.db2.gz MXZNCDFTHDEHKU-UHFFFAOYSA-N 2 1 276.380 2.491 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000449085541 282094457 /nfs/dbraw/zinc/09/44/57/282094457.db2.gz ODPCWCBJNBSRHC-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP COCC[C@H]1CCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000337471611 214102788 /nfs/dbraw/zinc/10/27/88/214102788.db2.gz NUTJEENKMYTZLU-HUUCEWRRSA-N 2 1 252.402 2.043 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CC(C(F)(F)F)C2)CC[N@@H+]1C ZINC000336323245 365557394 /nfs/dbraw/zinc/55/73/94/365557394.db2.gz LPLUOVPLHRGHIX-XEAZBWPWSA-N 2 1 250.308 2.400 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CC(C(F)(F)F)C2)CC[N@H+]1C ZINC000336323245 365557397 /nfs/dbraw/zinc/55/73/97/365557397.db2.gz LPLUOVPLHRGHIX-XEAZBWPWSA-N 2 1 250.308 2.400 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000449108612 282103020 /nfs/dbraw/zinc/10/30/20/282103020.db2.gz UZCMKJLNVZDUAY-OAHLLOKOSA-N 2 1 297.487 2.391 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000336791335 282118237 /nfs/dbraw/zinc/11/82/37/282118237.db2.gz NCKHMCYUAPHYBP-UONOGXRCSA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000449148958 282120220 /nfs/dbraw/zinc/12/02/20/282120220.db2.gz LTXLBRBWZBCHCB-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]1C[N@H+]([C@@H]2C=CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000336558932 365644696 /nfs/dbraw/zinc/64/46/96/365644696.db2.gz AUFBXUQTUNDETG-JKSUJKDBSA-N 2 1 277.456 2.195 20 0 CEADMP CCOc1cncc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000621362292 349577624 /nfs/dbraw/zinc/57/76/24/349577624.db2.gz VKHASACWJPOXLL-AWEZNQCLSA-N 2 1 277.412 2.302 20 0 CEADMP CC[NH+](CC)CCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000036907863 361870259 /nfs/dbraw/zinc/87/02/59/361870259.db2.gz CGJOLLBNIKDTFN-RRFJBIMHSA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000036907863 361870262 /nfs/dbraw/zinc/87/02/62/361870262.db2.gz CGJOLLBNIKDTFN-RRFJBIMHSA-N 3 1 255.450 2.037 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000036907863 361870264 /nfs/dbraw/zinc/87/02/64/361870264.db2.gz CGJOLLBNIKDTFN-RRFJBIMHSA-N 3 1 255.450 2.037 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OC)c2)C1 ZINC000037643744 361915486 /nfs/dbraw/zinc/91/54/86/361915486.db2.gz GOUKJMGSLZHMPD-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000037643992 361915773 /nfs/dbraw/zinc/91/57/73/361915773.db2.gz YDLCBAIUHARORT-KBPBESRZSA-N 2 1 290.407 2.450 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC)cc(OC)c2)C1 ZINC000037644181 361916332 /nfs/dbraw/zinc/91/63/32/361916332.db2.gz TYOHKBFBRUCTNN-CYBMUJFWSA-N 2 1 278.396 2.135 20 0 CEADMP C[C@H]([NH2+]CCC[NH3+])c1ccccc1Br ZINC000037713218 361922725 /nfs/dbraw/zinc/92/27/25/361922725.db2.gz HZRBJNCVOPSDHK-VIFPVBQESA-N 2 1 257.175 2.449 20 0 CEADMP CCOC(=O)C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000037788264 361938151 /nfs/dbraw/zinc/93/81/51/361938151.db2.gz QLUWFPWOEAVWHR-SVFSVNPNSA-N 2 1 294.439 2.323 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000038098037 361985295 /nfs/dbraw/zinc/98/52/95/361985295.db2.gz AVRKYLSAXBZYRK-UHFFFAOYSA-N 3 1 288.439 2.124 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337987268 214345265 /nfs/dbraw/zinc/34/52/65/214345265.db2.gz INBFCZSKVDUVPH-YESZJQIVSA-N 2 1 280.456 2.392 20 0 CEADMP CCOCC[N@@H+](CC)Cc1cccc2c1CC[NH2+]C2 ZINC000123978180 539179687 /nfs/dbraw/zinc/17/96/87/539179687.db2.gz JTTTXACUNYNUKW-UHFFFAOYSA-N 2 1 262.397 2.191 20 0 CEADMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1OC ZINC000226434517 539170724 /nfs/dbraw/zinc/17/07/24/539170724.db2.gz ODGPTTZFSYIFAV-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1OC ZINC000226434517 539170725 /nfs/dbraw/zinc/17/07/25/539170725.db2.gz ODGPTTZFSYIFAV-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000336292206 282187450 /nfs/dbraw/zinc/18/74/50/282187450.db2.gz MHAXQLRJAUFPMI-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP CC(=O)N1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000621756234 349693293 /nfs/dbraw/zinc/69/32/93/349693293.db2.gz IUVOPNNMXMGRBT-QGZVFWFLSA-N 2 1 299.418 2.336 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCN(C)c2ccccc2)CC[N@H+]1C ZINC000125866373 187203236 /nfs/dbraw/zinc/20/32/36/187203236.db2.gz RNCYNAROVPVWBF-LSDHHAIUSA-N 2 1 261.413 2.195 20 0 CEADMP CCn1cc(CC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000621776837 349699403 /nfs/dbraw/zinc/69/94/03/349699403.db2.gz XPTDFOZBUOZOKR-QGZVFWFLSA-N 2 1 290.455 2.157 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccn1 ZINC000621776455 349698204 /nfs/dbraw/zinc/69/82/04/349698204.db2.gz LJSCOGVWKJZFOE-HOTGVXAUSA-N 2 1 259.397 2.354 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)CO1 ZINC000092017216 539229274 /nfs/dbraw/zinc/22/92/74/539229274.db2.gz IAJXVAPNCFPZNH-HUUCEWRRSA-N 2 1 292.423 2.236 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)CO1 ZINC000092017216 539229275 /nfs/dbraw/zinc/22/92/75/539229275.db2.gz IAJXVAPNCFPZNH-HUUCEWRRSA-N 2 1 292.423 2.236 20 0 CEADMP COCCC[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000092536963 539232186 /nfs/dbraw/zinc/23/21/86/539232186.db2.gz AYINJSDPLHXJEF-UHFFFAOYSA-N 2 1 280.412 2.095 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000449367416 282202808 /nfs/dbraw/zinc/20/28/08/282202808.db2.gz WDTCJBQOUAFFSI-CABCVRRESA-N 2 1 297.487 2.343 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000300413171 539249915 /nfs/dbraw/zinc/24/99/15/539249915.db2.gz YXTPGUXBPAFABX-UONOGXRCSA-N 3 1 255.450 2.037 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000300413171 539249916 /nfs/dbraw/zinc/24/99/16/539249916.db2.gz YXTPGUXBPAFABX-UONOGXRCSA-N 3 1 255.450 2.037 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(CO)cc2)[C@@H](C)C1 ZINC000305775649 539255822 /nfs/dbraw/zinc/25/58/22/539255822.db2.gz KBPFDJJAFOIQAZ-YOEHRIQHSA-N 2 1 276.424 2.041 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](Cc2cc(C(C)=O)no2)CC1 ZINC000567748242 299085708 /nfs/dbraw/zinc/08/57/08/299085708.db2.gz PBNORWLHAMTTEX-UHFFFAOYSA-N 2 1 293.411 2.431 20 0 CEADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC000080474523 539260891 /nfs/dbraw/zinc/26/08/91/539260891.db2.gz ZBUMJYINQMYCBT-HNNXBMFYSA-N 2 1 283.460 2.096 20 0 CEADMP CCc1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC000352705115 529652307 /nfs/dbraw/zinc/65/23/07/529652307.db2.gz KBAHSWNWFXPSTD-AWEZNQCLSA-N 2 1 270.380 2.193 20 0 CEADMP CC[C@H](C)C[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350948499 219071287 /nfs/dbraw/zinc/07/12/87/219071287.db2.gz ILNIQIWDUBZGJP-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000041665365 362046392 /nfs/dbraw/zinc/04/63/92/362046392.db2.gz ZXODRZFILQTVPI-UKRRQHHQSA-N 2 1 262.397 2.469 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1ccc(Br)cc1 ZINC000042439782 362095345 /nfs/dbraw/zinc/09/53/45/362095345.db2.gz WJXFWMIWWRAPJI-UHFFFAOYSA-N 2 1 257.175 2.230 20 0 CEADMP CC1(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CCC1 ZINC000434757320 539299157 /nfs/dbraw/zinc/29/91/57/539299157.db2.gz PJPXCBYFOXBMQG-CQSZACIVSA-N 2 1 254.418 2.003 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351181441 219083579 /nfs/dbraw/zinc/08/35/79/219083579.db2.gz HQUYSEBRHZRNEY-JKSUJKDBSA-N 2 1 267.461 2.277 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCOCC1 ZINC000675880602 539306408 /nfs/dbraw/zinc/30/64/08/539306408.db2.gz GGZYQDUCMUZXCQ-WMLDXEAASA-N 2 1 296.455 2.035 20 0 CEADMP CC(C)[NH2+]C1(CO)CC[NH+](CCc2ccccc2)CC1 ZINC000038115867 343433521 /nfs/dbraw/zinc/43/35/21/343433521.db2.gz ZFRCOEHFCJAWQZ-UHFFFAOYSA-N 2 1 276.424 2.054 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000449508058 282263766 /nfs/dbraw/zinc/26/37/66/282263766.db2.gz MSVBSAKFHPTBRN-WBVHZDCISA-N 2 1 289.423 2.034 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044533135 343474154 /nfs/dbraw/zinc/47/41/54/343474154.db2.gz GZJNMWODIWADRX-AWEZNQCLSA-N 2 1 272.396 2.074 20 0 CEADMP CCc1nc(C)c(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)o1 ZINC000333787623 529726024 /nfs/dbraw/zinc/72/60/24/529726024.db2.gz FQANZRNMTMSPOL-JQWIXIFHSA-N 2 1 251.374 2.023 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCOCC2)C[C@H]1C ZINC000336706414 365771244 /nfs/dbraw/zinc/77/12/44/365771244.db2.gz JWFMJBLDYILHLI-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCOCC2)C[C@H]1C ZINC000336706414 365771249 /nfs/dbraw/zinc/77/12/49/365771249.db2.gz JWFMJBLDYILHLI-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCOCC2)C[C@H]1C ZINC000336706414 365771252 /nfs/dbraw/zinc/77/12/52/365771252.db2.gz JWFMJBLDYILHLI-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCOC2)[C@@H](C)C1 ZINC000336721023 365785311 /nfs/dbraw/zinc/78/53/11/365785311.db2.gz XCNSDSKRFRWSIL-ZNMIVQPWSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCOC2)[C@@H](C)C1 ZINC000336721023 365785314 /nfs/dbraw/zinc/78/53/14/365785314.db2.gz XCNSDSKRFRWSIL-ZNMIVQPWSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCOC2)[C@@H](C)C1 ZINC000336721023 365785319 /nfs/dbraw/zinc/78/53/19/365785319.db2.gz XCNSDSKRFRWSIL-ZNMIVQPWSA-N 2 1 254.418 2.075 20 0 CEADMP CCc1nocc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000351397682 219094910 /nfs/dbraw/zinc/09/49/10/219094910.db2.gz MSVTZSBSWCNYDH-UHFFFAOYSA-N 2 1 251.374 2.011 20 0 CEADMP CC[C@]1(C)COCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000336727955 365788496 /nfs/dbraw/zinc/78/84/96/365788496.db2.gz MSXRCVMTOXIWEO-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CC[C@]1(C)COCC[N@H+]1CCCn1cc[nH+]c1C ZINC000336727955 365788498 /nfs/dbraw/zinc/78/84/98/365788498.db2.gz MSXRCVMTOXIWEO-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCOC1 ZINC000128551852 365795434 /nfs/dbraw/zinc/79/54/34/365795434.db2.gz FGPXUVXXUZATGR-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP COc1cccc(CCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351486444 219103086 /nfs/dbraw/zinc/10/30/86/219103086.db2.gz ARXTUFZQMHRCAN-BHYGNILZSA-N 2 1 274.408 2.297 20 0 CEADMP CCc1ccc(CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351489523 219103580 /nfs/dbraw/zinc/10/35/80/219103580.db2.gz HPUAUIXHBOHGOU-GVDBMIGSSA-N 2 1 258.409 2.461 20 0 CEADMP CCc1cccc(OCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351497590 219105916 /nfs/dbraw/zinc/10/59/16/219105916.db2.gz UOVQNOOFHDCTML-BHYGNILZSA-N 2 1 274.408 2.297 20 0 CEADMP CC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000075677022 343862541 /nfs/dbraw/zinc/86/25/41/343862541.db2.gz DYSXHGRELCXMDP-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353670737 282309920 /nfs/dbraw/zinc/30/99/20/282309920.db2.gz AZAIIDZDSQGMBK-KFWWJZLASA-N 2 1 268.445 2.390 20 0 CEADMP CO[C@]1(C)CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000336783412 365800457 /nfs/dbraw/zinc/80/04/57/365800457.db2.gz MTICAQFNADLCJU-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CO[C@]1(C)CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000336783412 365800462 /nfs/dbraw/zinc/80/04/62/365800462.db2.gz MTICAQFNADLCJU-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP COCCCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081630624 344060783 /nfs/dbraw/zinc/06/07/83/344060783.db2.gz VPIRECHWZUBBOX-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP COCCCCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081630624 344060786 /nfs/dbraw/zinc/06/07/86/344060786.db2.gz VPIRECHWZUBBOX-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP COCCCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081630624 344060789 /nfs/dbraw/zinc/06/07/89/344060789.db2.gz VPIRECHWZUBBOX-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000084021648 344080508 /nfs/dbraw/zinc/08/05/08/344080508.db2.gz VKSMSGQJAAPDME-LBPRGKRZSA-N 2 1 283.379 2.494 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000351574605 219131450 /nfs/dbraw/zinc/13/14/50/219131450.db2.gz PMVDTMHEBXNOMG-WMLDXEAASA-N 2 1 290.451 2.397 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000351574605 219131453 /nfs/dbraw/zinc/13/14/53/219131453.db2.gz PMVDTMHEBXNOMG-WMLDXEAASA-N 2 1 290.451 2.397 20 0 CEADMP Cc1cc[nH+]c(NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000089603477 344126171 /nfs/dbraw/zinc/12/61/71/344126171.db2.gz ODMRCUXBXBXGRX-AWEZNQCLSA-N 2 1 261.369 2.055 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ncccc1Cl ZINC000090408323 344139147 /nfs/dbraw/zinc/13/91/47/344139147.db2.gz AQLHWWXMXKKBDK-AAEUAGOBSA-N 2 1 283.803 2.044 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000091334510 344161687 /nfs/dbraw/zinc/16/16/87/344161687.db2.gz GPSGUCSGOHZNOM-DLBZAZTESA-N 2 1 276.424 2.430 20 0 CEADMP Cn1cc(C[NH2+]C2CC[NH+](C)CC2)c(-c2ccccc2)n1 ZINC000093053674 344212789 /nfs/dbraw/zinc/21/27/89/344212789.db2.gz WFYKLKMBBYYBOK-UHFFFAOYSA-N 2 1 284.407 2.271 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000093536620 344226928 /nfs/dbraw/zinc/22/69/28/344226928.db2.gz ZSZHEOODNXCTDA-IIAWOOMASA-N 2 1 287.407 2.012 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000093536620 344226929 /nfs/dbraw/zinc/22/69/29/344226929.db2.gz ZSZHEOODNXCTDA-IIAWOOMASA-N 2 1 287.407 2.012 20 0 CEADMP Cc1ccc(O)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000093536620 344226931 /nfs/dbraw/zinc/22/69/31/344226931.db2.gz ZSZHEOODNXCTDA-IIAWOOMASA-N 2 1 287.407 2.012 20 0 CEADMP Cc1ccc(O)c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000093536620 344226932 /nfs/dbraw/zinc/22/69/32/344226932.db2.gz ZSZHEOODNXCTDA-IIAWOOMASA-N 2 1 287.407 2.012 20 0 CEADMP C[C@@H]1C[C@@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000132931849 344366285 /nfs/dbraw/zinc/36/62/85/344366285.db2.gz NPZKHWRHLMNDIS-KBMXLJTQSA-N 2 1 289.423 2.066 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000156211535 344441667 /nfs/dbraw/zinc/44/16/67/344441667.db2.gz BRRDIZGPWUANSE-JSGCOSHPSA-N 2 1 278.396 2.324 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000156211535 344441670 /nfs/dbraw/zinc/44/16/70/344441670.db2.gz BRRDIZGPWUANSE-JSGCOSHPSA-N 2 1 278.396 2.324 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(C)(C)OC)C1 ZINC000336784259 365801442 /nfs/dbraw/zinc/80/14/42/365801442.db2.gz NMYNKUUTPWUVFH-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000250641170 344633785 /nfs/dbraw/zinc/63/37/85/344633785.db2.gz DYNPMFZXXZASLS-ZACQAIPSSA-N 2 1 273.424 2.120 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000250641170 344633788 /nfs/dbraw/zinc/63/37/88/344633788.db2.gz DYNPMFZXXZASLS-ZACQAIPSSA-N 2 1 273.424 2.120 20 0 CEADMP C[C@@H]1CSCC[NH+]1C/C=C\C[N@@H+]1CCSC[C@H]1C ZINC000255112239 344645636 /nfs/dbraw/zinc/64/56/36/344645636.db2.gz ITQIDVQZONFQRF-JHZNUDOXSA-N 2 1 286.510 2.417 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(F)c1 ZINC000299932453 344697553 /nfs/dbraw/zinc/69/75/53/344697553.db2.gz YMGNRYVPBUVVRC-QWRGUYRKSA-N 2 1 252.333 2.003 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(F)c1 ZINC000299932453 344697556 /nfs/dbraw/zinc/69/75/56/344697556.db2.gz YMGNRYVPBUVVRC-QWRGUYRKSA-N 2 1 252.333 2.003 20 0 CEADMP CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC[C@H]1C ZINC000300022785 344698460 /nfs/dbraw/zinc/69/84/60/344698460.db2.gz VYPSUJJVJQAVHL-CXAGYDPISA-N 2 1 274.408 2.189 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000305894572 344711361 /nfs/dbraw/zinc/71/13/61/344711361.db2.gz ATRMHFGSRZZHIT-OAHLLOKOSA-N 2 1 254.418 2.254 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000412003251 530057026 /nfs/dbraw/zinc/05/70/26/530057026.db2.gz PGQSSYFYEQIRCJ-SVXFNXITSA-N 2 1 292.467 2.248 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2C#N)C[C@@H]1C[NH3+] ZINC000397391755 344850980 /nfs/dbraw/zinc/85/09/80/344850980.db2.gz NXAZEUSNDQQBRK-WWGRRREGSA-N 2 1 257.381 2.363 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2C#N)C[C@@H]1C[NH3+] ZINC000397391755 344850983 /nfs/dbraw/zinc/85/09/83/344850983.db2.gz NXAZEUSNDQQBRK-WWGRRREGSA-N 2 1 257.381 2.363 20 0 CEADMP C1CC1[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CO1 ZINC000668095423 539413557 /nfs/dbraw/zinc/41/35/57/539413557.db2.gz IVYYJSQSYIQEEU-GYTBAZASSA-N 2 1 264.413 2.160 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cn1 ZINC000404492173 344880522 /nfs/dbraw/zinc/88/05/22/344880522.db2.gz BXNVSJACRXWRBA-JSGCOSHPSA-N 2 1 263.385 2.040 20 0 CEADMP CS[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](SC)C2)C1 ZINC000590750039 345173554 /nfs/dbraw/zinc/17/35/54/345173554.db2.gz PYTACVXRMWQPEY-ISANGGDFSA-N 2 1 286.510 2.417 20 0 CEADMP CS[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](SC)C2)C1 ZINC000590750039 345173558 /nfs/dbraw/zinc/17/35/58/345173558.db2.gz PYTACVXRMWQPEY-ISANGGDFSA-N 2 1 286.510 2.417 20 0 CEADMP CS[C@@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](SC)C2)C1 ZINC000590750039 345173561 /nfs/dbraw/zinc/17/35/61/345173561.db2.gz PYTACVXRMWQPEY-ISANGGDFSA-N 2 1 286.510 2.417 20 0 CEADMP C[NH+]1CCC(CC[NH2+]Cc2n[nH]c3ccccc32)CC1 ZINC000591709010 345275602 /nfs/dbraw/zinc/27/56/02/345275602.db2.gz HGFMNHSZQZFOJC-UHFFFAOYSA-N 2 1 272.396 2.384 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)[C@@H]1SC ZINC000592394932 345349400 /nfs/dbraw/zinc/34/94/00/345349400.db2.gz NLZNPNNEYKXNRZ-FBRBKTQXSA-N 2 1 298.496 2.358 20 0 CEADMP COC(=O)c1ccc(Cl)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000592438418 345353478 /nfs/dbraw/zinc/35/34/78/345353478.db2.gz MHPNRRADOSGXLG-NXEZZACHSA-N 2 1 284.787 2.342 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](CC(=O)OC(C)C)C(C)C)CC1 ZINC000594625255 345663524 /nfs/dbraw/zinc/66/35/24/345663524.db2.gz UDVHEWRGDARFHY-HNNXBMFYSA-N 2 1 284.444 2.427 20 0 CEADMP CC[C@@H](CSC)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594516287 345642252 /nfs/dbraw/zinc/64/22/52/345642252.db2.gz XPJHEVLMDQJQIP-ZFWWWQNUSA-N 2 1 286.485 2.361 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000594925648 345704962 /nfs/dbraw/zinc/70/49/62/345704962.db2.gz LZGXQTSRDTZIEJ-GBJTYRQASA-N 2 1 296.455 2.284 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000594925648 345704964 /nfs/dbraw/zinc/70/49/64/345704964.db2.gz LZGXQTSRDTZIEJ-GBJTYRQASA-N 2 1 296.455 2.284 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000594940436 345711045 /nfs/dbraw/zinc/71/10/45/345711045.db2.gz CRGLZNOJARRKRS-QKPAOTATSA-N 2 1 296.455 2.284 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC=C(C)C)C2)CC1 ZINC000595314637 345760890 /nfs/dbraw/zinc/76/08/90/345760890.db2.gz VARDDOVUSUUSDI-INIZCTEOSA-N 2 1 265.445 2.055 20 0 CEADMP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900568 345909966 /nfs/dbraw/zinc/90/99/66/345909966.db2.gz HBIGAZVOHZQUMX-CABCVRRESA-N 2 1 282.428 2.040 20 0 CEADMP CO[C@](C)(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C1CC1 ZINC000336787882 365807654 /nfs/dbraw/zinc/80/76/54/365807654.db2.gz GDCMMANPCDRIIH-QHSBEEBCSA-N 2 1 254.418 2.120 20 0 CEADMP CC(C)C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000128886723 365809322 /nfs/dbraw/zinc/80/93/22/365809322.db2.gz BCBQXFZBUJZFSY-IIAWOOMASA-N 2 1 267.461 2.178 20 0 CEADMP CC(C)C[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000128886723 365809327 /nfs/dbraw/zinc/80/93/27/365809327.db2.gz BCBQXFZBUJZFSY-IIAWOOMASA-N 2 1 267.461 2.178 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCC(C)CC2)CC1 ZINC000061799178 362689865 /nfs/dbraw/zinc/68/98/65/362689865.db2.gz UBXZQXVMHKBDHX-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cn1 ZINC000062079398 362705354 /nfs/dbraw/zinc/70/53/54/362705354.db2.gz BQQHEZBYOQYNKB-ZIAGYGMSSA-N 2 1 264.417 2.286 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000599045832 346451759 /nfs/dbraw/zinc/45/17/59/346451759.db2.gz CYSCPQJCRRBYGU-WLYUNCDWSA-N 2 1 284.444 2.427 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000599045832 346451762 /nfs/dbraw/zinc/45/17/62/346451762.db2.gz CYSCPQJCRRBYGU-WLYUNCDWSA-N 2 1 284.444 2.427 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CCCC[NH+]1C ZINC000599403809 346514629 /nfs/dbraw/zinc/51/46/29/346514629.db2.gz DEPZGJONVFFZQZ-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000599403809 346514630 /nfs/dbraw/zinc/51/46/30/346514630.db2.gz DEPZGJONVFFZQZ-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000599403809 346514631 /nfs/dbraw/zinc/51/46/31/346514631.db2.gz DEPZGJONVFFZQZ-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCc1noc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000063200920 362760867 /nfs/dbraw/zinc/76/08/67/362760867.db2.gz YAJBIQMQRPMAKT-CQSZACIVSA-N 2 1 292.427 2.376 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000336798378 365822485 /nfs/dbraw/zinc/82/24/85/365822485.db2.gz DTUGXUAYGNVROX-HZPDHXFCSA-N 2 1 265.445 2.031 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)[N@H+](CCCn2ccnc2C)[C@@H](C)C1 ZINC000599697147 346570093 /nfs/dbraw/zinc/57/00/93/346570093.db2.gz RCRBBNDVWZAGBW-AGGWBTHJSA-N 2 1 293.411 2.244 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000599697147 346570097 /nfs/dbraw/zinc/57/00/97/346570097.db2.gz RCRBBNDVWZAGBW-AGGWBTHJSA-N 2 1 293.411 2.244 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)[N@H+](CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000599697147 346570101 /nfs/dbraw/zinc/57/01/01/346570101.db2.gz RCRBBNDVWZAGBW-AGGWBTHJSA-N 2 1 293.411 2.244 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000336799288 365826579 /nfs/dbraw/zinc/82/65/79/365826579.db2.gz ICKCODMCPBVJPP-HOTGVXAUSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000336799288 365826583 /nfs/dbraw/zinc/82/65/83/365826583.db2.gz ICKCODMCPBVJPP-HOTGVXAUSA-N 2 1 266.429 2.077 20 0 CEADMP COC1CCC([N@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000336801018 365831033 /nfs/dbraw/zinc/83/10/33/365831033.db2.gz OOQORSJDWAMASV-UHFFFAOYSA-N 2 1 265.401 2.471 20 0 CEADMP COC1CCC([N@@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000336801018 365831037 /nfs/dbraw/zinc/83/10/37/365831037.db2.gz OOQORSJDWAMASV-UHFFFAOYSA-N 2 1 265.401 2.471 20 0 CEADMP CCc1nocc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000339241399 215036285 /nfs/dbraw/zinc/03/62/85/215036285.db2.gz RTHLKSMMQFQFOQ-LLVKDONJSA-N 2 1 262.357 2.168 20 0 CEADMP COC(=O)c1csc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000602658462 347127590 /nfs/dbraw/zinc/12/75/90/347127590.db2.gz YGUHWDYGEPUQGS-LBPRGKRZSA-N 2 1 296.436 2.355 20 0 CEADMP COC(=O)c1csc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000602658462 347127592 /nfs/dbraw/zinc/12/75/92/347127592.db2.gz YGUHWDYGEPUQGS-LBPRGKRZSA-N 2 1 296.436 2.355 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN([C@@H](C(=O)OC(C)(C)C)C3CC3)C2)C1 ZINC000602843035 347221373 /nfs/dbraw/zinc/22/13/73/347221373.db2.gz YFJFYPRDBRZONN-RHSMWYFYSA-N 2 1 294.439 2.134 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCn2nc(C)cc2C)C[C@@H]1C ZINC000336823860 365878320 /nfs/dbraw/zinc/87/83/20/365878320.db2.gz RPNMYMCMHLAYLZ-HOCLYGCPSA-N 2 1 278.444 2.305 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCn2nc(C)cc2C)C[C@@H]1C ZINC000336823860 365878323 /nfs/dbraw/zinc/87/83/23/365878323.db2.gz RPNMYMCMHLAYLZ-HOCLYGCPSA-N 2 1 278.444 2.305 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2nc(C)cc2C)C[C@@H]1C ZINC000336823860 365878325 /nfs/dbraw/zinc/87/83/25/365878325.db2.gz RPNMYMCMHLAYLZ-HOCLYGCPSA-N 2 1 278.444 2.305 20 0 CEADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000606351987 347466022 /nfs/dbraw/zinc/46/60/22/347466022.db2.gz FVNXIWKNQWJABW-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)CC(C)C ZINC000606371344 347467814 /nfs/dbraw/zinc/46/78/14/347467814.db2.gz NEOAZKQAHIPVAN-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP COc1ccnc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000129834624 365898126 /nfs/dbraw/zinc/89/81/26/365898126.db2.gz ZHILOQYCLFWPAT-CJNGLKHVSA-N 2 1 286.379 2.370 20 0 CEADMP COc1ccnc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000129834624 365898131 /nfs/dbraw/zinc/89/81/31/365898131.db2.gz ZHILOQYCLFWPAT-CJNGLKHVSA-N 2 1 286.379 2.370 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000336838010 365907609 /nfs/dbraw/zinc/90/76/09/365907609.db2.gz MKDWRTOFRPNSMF-VOAKCMCISA-N 2 1 292.345 2.313 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000336838010 365907611 /nfs/dbraw/zinc/90/76/11/365907611.db2.gz MKDWRTOFRPNSMF-VOAKCMCISA-N 2 1 292.345 2.313 20 0 CEADMP C[N@H+]1CCC[C@]2(CCN(Cc3cnc(C4CC4)nc3)C2)C1 ZINC000459600251 290191796 /nfs/dbraw/zinc/19/17/96/290191796.db2.gz ZUGKUXGXYRIQGH-KRWDZBQOSA-N 2 1 286.423 2.272 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@]1(C)CCCC[C@H]1C ZINC000308714426 539578384 /nfs/dbraw/zinc/57/83/84/539578384.db2.gz SWLATJMQGWNQHZ-RBSFLKMASA-N 2 1 256.434 2.246 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000334195490 539587491 /nfs/dbraw/zinc/58/74/91/539587491.db2.gz JPHOEAUVVNCFJG-QGZVFWFLSA-N 2 1 287.407 2.221 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000334195490 539587494 /nfs/dbraw/zinc/58/74/94/539587494.db2.gz JPHOEAUVVNCFJG-QGZVFWFLSA-N 2 1 287.407 2.221 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339408149 215153700 /nfs/dbraw/zinc/15/37/00/215153700.db2.gz QNRIMWWUPIXGJD-XJKSGUPXSA-N 2 1 274.408 2.223 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C)n1 ZINC000335006518 539616684 /nfs/dbraw/zinc/61/66/84/539616684.db2.gz GXJUIVBHDAISSV-MRXNPFEDSA-N 2 1 259.397 2.274 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C)n1 ZINC000335006518 539616687 /nfs/dbraw/zinc/61/66/87/539616687.db2.gz GXJUIVBHDAISSV-MRXNPFEDSA-N 2 1 259.397 2.274 20 0 CEADMP c1ccc(OCCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357056231 233000744 /nfs/dbraw/zinc/00/07/44/233000744.db2.gz SIXYIZVBUWCPDQ-HZPDHXFCSA-N 2 1 274.408 2.387 20 0 CEADMP COCc1cnc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000357057118 233000812 /nfs/dbraw/zinc/00/08/12/233000812.db2.gz UJCYBGKFZJJPRK-ZDUSSCGKSA-N 2 1 295.452 2.111 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357065365 233002455 /nfs/dbraw/zinc/00/24/55/233002455.db2.gz ARAKKQYAJVEQFK-QXSJWSMHSA-N 2 1 266.429 2.123 20 0 CEADMP CCC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1cccnc1 ZINC000273376990 192131397 /nfs/dbraw/zinc/13/13/97/192131397.db2.gz HJRFXUJNAQIAPN-MRXNPFEDSA-N 2 1 279.428 2.481 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOCC2CC2)CC1(C)C ZINC000623343242 349993098 /nfs/dbraw/zinc/99/30/98/349993098.db2.gz HZPXUYKIFHNAKW-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1csc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)n1 ZINC000459733335 290220639 /nfs/dbraw/zinc/22/06/39/290220639.db2.gz NIEXDXYBRFWGSQ-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(C)CC=CCC1 ZINC000617503768 348718503 /nfs/dbraw/zinc/71/85/03/348718503.db2.gz YGDQQDFBPPXGAJ-RDJZCZTQSA-N 2 1 295.471 2.121 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(C)CC=CCC1 ZINC000617503768 348718506 /nfs/dbraw/zinc/71/85/06/348718506.db2.gz YGDQQDFBPPXGAJ-RDJZCZTQSA-N 2 1 295.471 2.121 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339071100 539660889 /nfs/dbraw/zinc/66/08/89/539660889.db2.gz QBERZMMHLSKEAL-PMPSAXMXSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339071100 539660892 /nfs/dbraw/zinc/66/08/92/539660892.db2.gz QBERZMMHLSKEAL-PMPSAXMXSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339071100 539660896 /nfs/dbraw/zinc/66/08/96/539660896.db2.gz QBERZMMHLSKEAL-PMPSAXMXSA-N 2 1 265.445 2.077 20 0 CEADMP c1[nH]nc2c1cccc2C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000336625695 539669481 /nfs/dbraw/zinc/66/94/81/539669481.db2.gz YMJHDUGLZMSUHE-MRXNPFEDSA-N 2 1 270.380 2.138 20 0 CEADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCc2c[nH+]cn2C)C1 ZINC000459362958 539689390 /nfs/dbraw/zinc/68/93/90/539689390.db2.gz HTYXDEYUBBBCLL-BFYDXBDKSA-N 2 1 290.455 2.300 20 0 CEADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCO1 ZINC000352040511 219299742 /nfs/dbraw/zinc/29/97/42/219299742.db2.gz PCFKCIYPBOOECF-JJXSEGSLSA-N 2 1 268.445 2.367 20 0 CEADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCO1 ZINC000352040510 219299945 /nfs/dbraw/zinc/29/99/45/219299945.db2.gz PCFKCIYPBOOECF-FZKCQIBNSA-N 2 1 268.445 2.367 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC000620624234 349406916 /nfs/dbraw/zinc/40/69/16/349406916.db2.gz QTZQJTDSZABXRM-CQSZACIVSA-N 2 1 285.476 2.343 20 0 CEADMP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623402324 350010229 /nfs/dbraw/zinc/01/02/29/350010229.db2.gz GJNIVIYIMGRMLL-UKRRQHHQSA-N 2 1 278.444 2.290 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623402324 350010233 /nfs/dbraw/zinc/01/02/33/350010233.db2.gz GJNIVIYIMGRMLL-UKRRQHHQSA-N 3 1 278.444 2.290 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623402324 350010235 /nfs/dbraw/zinc/01/02/35/350010235.db2.gz GJNIVIYIMGRMLL-UKRRQHHQSA-N 3 1 278.444 2.290 20 0 CEADMP Cc1nccn1CCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623430005 350018545 /nfs/dbraw/zinc/01/85/45/350018545.db2.gz ZMZOEZFXORPUOA-HNNXBMFYSA-N 2 1 278.444 2.434 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623430005 350018547 /nfs/dbraw/zinc/01/85/47/350018547.db2.gz ZMZOEZFXORPUOA-HNNXBMFYSA-N 3 1 278.444 2.434 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623430005 350018550 /nfs/dbraw/zinc/01/85/50/350018550.db2.gz ZMZOEZFXORPUOA-HNNXBMFYSA-N 3 1 278.444 2.434 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623438260 350019893 /nfs/dbraw/zinc/01/98/93/350019893.db2.gz SICHJNZJNPHWLF-ZBFHGGJFSA-N 2 1 276.424 2.491 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623438260 350019897 /nfs/dbraw/zinc/01/98/97/350019897.db2.gz SICHJNZJNPHWLF-ZBFHGGJFSA-N 2 1 276.424 2.491 20 0 CEADMP CN(C)c1ncc(CNC[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000623656330 350075788 /nfs/dbraw/zinc/07/57/88/350075788.db2.gz SBCSINTZVXLHRK-GFCCVEGCSA-N 2 1 282.457 2.031 20 0 CEADMP CN(C)c1ncc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)s1 ZINC000623656330 350075790 /nfs/dbraw/zinc/07/57/90/350075790.db2.gz SBCSINTZVXLHRK-GFCCVEGCSA-N 2 1 282.457 2.031 20 0 CEADMP CN(C)c1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000623656330 350075794 /nfs/dbraw/zinc/07/57/94/350075794.db2.gz SBCSINTZVXLHRK-GFCCVEGCSA-N 2 1 282.457 2.031 20 0 CEADMP Cc1ccc2ncc(CNC[C@H]3CCCC[N@H+](C)C3)n2c1 ZINC000623656092 350075860 /nfs/dbraw/zinc/07/58/60/350075860.db2.gz MSGPNMNDGBKNHT-OAHLLOKOSA-N 2 1 286.423 2.464 20 0 CEADMP Cc1ccc2ncc(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)n2c1 ZINC000623656092 350075863 /nfs/dbraw/zinc/07/58/63/350075863.db2.gz MSGPNMNDGBKNHT-OAHLLOKOSA-N 2 1 286.423 2.464 20 0 CEADMP Cc1ccc2ncc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)n2c1 ZINC000623656092 350075864 /nfs/dbraw/zinc/07/58/64/350075864.db2.gz MSGPNMNDGBKNHT-OAHLLOKOSA-N 2 1 286.423 2.464 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)O ZINC000623506457 350037564 /nfs/dbraw/zinc/03/75/64/350037564.db2.gz UAUWVQGOOQATEI-OLZOCXBDSA-N 2 1 256.434 2.244 20 0 CEADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623523040 350040865 /nfs/dbraw/zinc/04/08/65/350040865.db2.gz HFVVCLGXLZNQMY-MCIONIFRSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1CC[NH+](C)C(C)(C)C1)C1CC1 ZINC000623545078 350046748 /nfs/dbraw/zinc/04/67/48/350046748.db2.gz ZWNOKSUKKAEYIN-AWEZNQCLSA-N 2 1 267.461 2.323 20 0 CEADMP C[NH+](CCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623545078 350046751 /nfs/dbraw/zinc/04/67/51/350046751.db2.gz ZWNOKSUKKAEYIN-AWEZNQCLSA-N 3 1 267.461 2.323 20 0 CEADMP C[NH+](CCCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623545078 350046753 /nfs/dbraw/zinc/04/67/53/350046753.db2.gz ZWNOKSUKKAEYIN-AWEZNQCLSA-N 3 1 267.461 2.323 20 0 CEADMP CN1CC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CC1(C)C ZINC000623545078 350046755 /nfs/dbraw/zinc/04/67/55/350046755.db2.gz ZWNOKSUKKAEYIN-AWEZNQCLSA-N 2 1 267.461 2.323 20 0 CEADMP CN1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CC1(C)C ZINC000623545078 350046759 /nfs/dbraw/zinc/04/67/59/350046759.db2.gz ZWNOKSUKKAEYIN-AWEZNQCLSA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](O)C(C)C ZINC000623550736 350047623 /nfs/dbraw/zinc/04/76/23/350047623.db2.gz ZWCKTSOZNJMZDW-HZSPNIEDSA-N 2 1 256.434 2.244 20 0 CEADMP O[C@@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCc2ccccc21 ZINC000090779779 180038974 /nfs/dbraw/zinc/03/89/74/180038974.db2.gz MNKHRZAQQQQLIC-LZLYRXPVSA-N 2 1 286.419 2.037 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1C ZINC000090720495 180029915 /nfs/dbraw/zinc/02/99/15/180029915.db2.gz JIPLIYWPIGROQW-DZGCQCFKSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1C ZINC000090720495 180029917 /nfs/dbraw/zinc/02/99/17/180029917.db2.gz JIPLIYWPIGROQW-DZGCQCFKSA-N 2 1 295.471 2.096 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000090962331 180076966 /nfs/dbraw/zinc/07/69/66/180076966.db2.gz SLYMVZJFOHVDDG-OAHLLOKOSA-N 2 1 289.423 2.465 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000090962331 180076967 /nfs/dbraw/zinc/07/69/67/180076967.db2.gz SLYMVZJFOHVDDG-OAHLLOKOSA-N 2 1 289.423 2.465 20 0 CEADMP C[C@H](Cc1cccs1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000669618852 539756072 /nfs/dbraw/zinc/75/60/72/539756072.db2.gz IUYNRFZPOSMXQV-CQSZACIVSA-N 2 1 295.496 2.295 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)CC[N@H+]1C ZINC000624054704 350180867 /nfs/dbraw/zinc/18/08/67/350180867.db2.gz LIPYEVIAEKMQNZ-XYPHTWIQSA-N 2 1 274.408 2.200 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C)n1 ZINC000624121200 350198515 /nfs/dbraw/zinc/19/85/15/350198515.db2.gz PYGADUXFTGHIMB-WFASDCNBSA-N 2 1 276.428 2.476 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)n1 ZINC000624121200 350198519 /nfs/dbraw/zinc/19/85/19/350198519.db2.gz PYGADUXFTGHIMB-WFASDCNBSA-N 2 1 276.428 2.476 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CCOCC1 ZINC000624121245 350198923 /nfs/dbraw/zinc/19/89/23/350198923.db2.gz RBMMEHBMEDTCSL-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000624122334 350199595 /nfs/dbraw/zinc/19/95/95/350199595.db2.gz ONUQCDANPQBGFG-BARDWOONSA-N 2 1 266.429 2.121 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000624124025 350201261 /nfs/dbraw/zinc/20/12/61/350201261.db2.gz VRBMVMKUWNLGAN-UONOGXRCSA-N 2 1 262.401 2.040 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000624124025 350201263 /nfs/dbraw/zinc/20/12/63/350201263.db2.gz VRBMVMKUWNLGAN-UONOGXRCSA-N 2 1 262.401 2.040 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000192551558 539772506 /nfs/dbraw/zinc/77/25/06/539772506.db2.gz HURCKOTWQMBEDA-QLFBSQMISA-N 2 1 254.418 2.121 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)[C@H]2CCC[C@H]21 ZINC000624223452 350234098 /nfs/dbraw/zinc/23/40/98/350234098.db2.gz UUKKWLKTFIMZQF-NPJQDHAYSA-N 2 1 264.413 2.016 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000105480536 186059163 /nfs/dbraw/zinc/05/91/63/186059163.db2.gz CUZOXBUMVZKHAU-YJBOKZPZSA-N 2 1 298.434 2.361 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000105480536 186059164 /nfs/dbraw/zinc/05/91/64/186059164.db2.gz CUZOXBUMVZKHAU-YJBOKZPZSA-N 2 1 298.434 2.361 20 0 CEADMP CCO[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C1CC1 ZINC000625209301 350429695 /nfs/dbraw/zinc/42/96/95/350429695.db2.gz HILYPHIALCAXJW-RDJZCZTQSA-N 2 1 280.456 2.465 20 0 CEADMP CCO[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CC1 ZINC000625209301 350429698 /nfs/dbraw/zinc/42/96/98/350429698.db2.gz HILYPHIALCAXJW-RDJZCZTQSA-N 2 1 280.456 2.465 20 0 CEADMP CCO[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CC1 ZINC000625209301 350429701 /nfs/dbraw/zinc/42/97/01/350429701.db2.gz HILYPHIALCAXJW-RDJZCZTQSA-N 2 1 280.456 2.465 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000625450238 350502748 /nfs/dbraw/zinc/50/27/48/350502748.db2.gz LIFWPZADWMZZSE-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CCO[C@H](C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)C1CC1 ZINC000625450238 350502752 /nfs/dbraw/zinc/50/27/52/350502752.db2.gz LIFWPZADWMZZSE-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CCO[C@H](C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)C1CC1 ZINC000625450238 350502758 /nfs/dbraw/zinc/50/27/58/350502758.db2.gz LIFWPZADWMZZSE-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP COCC[N@H+](Cc1cccs1)CC1CC[NH2+]CC1 ZINC000337068637 366005975 /nfs/dbraw/zinc/00/59/75/366005975.db2.gz LLIZFBVELXCVCR-UHFFFAOYSA-N 2 1 268.426 2.196 20 0 CEADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCCOC1 ZINC000111179212 186366656 /nfs/dbraw/zinc/36/66/56/186366656.db2.gz UTSNRYKXSOIYDV-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@]1(C)CCCS1 ZINC000628190575 350998397 /nfs/dbraw/zinc/99/83/97/350998397.db2.gz KAMKYKNOKDIHCZ-LVQVYYBASA-N 2 1 298.496 2.456 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc2n[nH]cc21 ZINC000628279788 351038501 /nfs/dbraw/zinc/03/85/01/351038501.db2.gz ZHDDOFUQRUFUDX-UHFFFAOYSA-N 2 1 260.385 2.337 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@]2(C)CCCS2)CCO1 ZINC000628352689 351076862 /nfs/dbraw/zinc/07/68/62/351076862.db2.gz QKXAGMAQFDELPP-LSDHHAIUSA-N 2 1 286.485 2.315 20 0 CEADMP COc1cccc(C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C2CC2)c1 ZINC000629545656 351406167 /nfs/dbraw/zinc/40/61/67/351406167.db2.gz PXLKMFRGEIBPGX-JCURWCKSSA-N 2 1 274.408 2.356 20 0 CEADMP Cc1cncc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000629533305 351396187 /nfs/dbraw/zinc/39/61/87/351396187.db2.gz TUPWVPKQEATVDB-JKSUJKDBSA-N 2 1 259.397 2.212 20 0 CEADMP C[C@@H]1CC2(C[N@@H+]1Cc1noc(C3CCC3)n1)CC[NH2+]CC2 ZINC000629538373 351400620 /nfs/dbraw/zinc/40/06/20/351400620.db2.gz MEPJXRYZTYNHJZ-GFCCVEGCSA-N 2 1 290.411 2.301 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1noc(C3CCC3)n1)CC[NH2+]CC2 ZINC000629538373 351400622 /nfs/dbraw/zinc/40/06/22/351400622.db2.gz MEPJXRYZTYNHJZ-GFCCVEGCSA-N 2 1 290.411 2.301 20 0 CEADMP CCO[C@@H]1C[N@H+](Cc2cnc3ccc(C)cc3c2)C[C@H]1C[NH3+] ZINC000629539655 351401448 /nfs/dbraw/zinc/40/14/48/351401448.db2.gz RDQYBTXVJCUUIN-SJLPKXTDSA-N 2 1 299.418 2.339 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cnc3ccc(C)cc3c2)C[C@H]1C[NH3+] ZINC000629539655 351401451 /nfs/dbraw/zinc/40/14/51/351401451.db2.gz RDQYBTXVJCUUIN-SJLPKXTDSA-N 2 1 299.418 2.339 20 0 CEADMP COc1cc(C[NH2+]CC2([NH3+])CCOCC2)ccc1SC ZINC000629387446 351345869 /nfs/dbraw/zinc/34/58/69/351345869.db2.gz HHPSMCVTUMPSFO-UHFFFAOYSA-N 2 1 296.436 2.015 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000629390401 351347994 /nfs/dbraw/zinc/34/79/94/351347994.db2.gz DYXBPHGIBIIVDL-BYCMXARLSA-N 2 1 250.361 2.487 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC000629397029 351350721 /nfs/dbraw/zinc/35/07/21/351350721.db2.gz WTIMMEBREFOACH-DAXOMENPSA-N 2 1 274.408 2.283 20 0 CEADMP COC1(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCCC1 ZINC000629656044 351452989 /nfs/dbraw/zinc/45/29/89/351452989.db2.gz ZRWNHKYGYDYJIW-AWEZNQCLSA-N 2 1 252.402 2.021 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3c(O)cccc3C2)CC[NH2+]1 ZINC000629663633 351456141 /nfs/dbraw/zinc/45/61/41/351456141.db2.gz IOVQAHWKTGAZNM-OLZOCXBDSA-N 2 1 260.381 2.138 20 0 CEADMP CCc1cccc(Cl)c1C[N@@H+](C)CCOCC[NH3+] ZINC000629667984 351458825 /nfs/dbraw/zinc/45/88/25/351458825.db2.gz YYNHNMDSGKPHFM-UHFFFAOYSA-N 2 1 270.804 2.310 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCOc3cc(F)ccc3C2)CC[NH2+]1 ZINC000629673834 351461324 /nfs/dbraw/zinc/46/13/24/351461324.db2.gz JPMZKCCDVBXXLL-STQMWFEESA-N 2 1 278.371 2.408 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CC2CCC2)CC[C@@H]1C(F)(F)F ZINC000629565613 351416958 /nfs/dbraw/zinc/41/69/58/351416958.db2.gz WNSFYUGFJCLLQJ-QWRGUYRKSA-N 2 1 250.308 2.246 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000629568830 351417735 /nfs/dbraw/zinc/41/77/35/351417735.db2.gz XAGQOAZDAXDUON-UHFFFAOYSA-N 2 1 264.413 2.478 20 0 CEADMP CC[C@@H](c1ccccc1)[N@@H+](C)CCOCC[NH2+]C ZINC000629571335 351418695 /nfs/dbraw/zinc/41/86/95/351418695.db2.gz LHYOSIRMJOWCDS-HNNXBMFYSA-N 2 1 250.386 2.306 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1cc(F)ccc1Cl ZINC000629571572 351419810 /nfs/dbraw/zinc/41/98/10/351419810.db2.gz WWWLOAYZFSKNSI-UHFFFAOYSA-N 2 1 274.767 2.147 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(F)ccc1Cl ZINC000629571572 351419813 /nfs/dbraw/zinc/41/98/13/351419813.db2.gz WWWLOAYZFSKNSI-UHFFFAOYSA-N 2 1 274.767 2.147 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1cnc(-c2ccccc2)s1 ZINC000629578832 351420783 /nfs/dbraw/zinc/42/07/83/351420783.db2.gz VIFXBDCOOLUYRH-UHFFFAOYSA-N 2 1 291.420 2.217 20 0 CEADMP CC[C@H](c1ccc(F)cc1F)[N@@H+](C)CCOCC[NH3+] ZINC000629578623 351420795 /nfs/dbraw/zinc/42/07/95/351420795.db2.gz JRMOYWVKVNSISU-CQSZACIVSA-N 2 1 272.339 2.323 20 0 CEADMP C[N@@H+](CCOCC[NH3+])[C@@H]1CCc2c1cccc2Cl ZINC000629581047 351422494 /nfs/dbraw/zinc/42/24/94/351422494.db2.gz KORPFFHJHTXDHS-CQSZACIVSA-N 2 1 268.788 2.234 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCOCc1ccccc1)C2 ZINC000629592336 351425486 /nfs/dbraw/zinc/42/54/86/351425486.db2.gz ALKFEKUNSLABOB-CALCHBBNSA-N 2 1 274.408 2.135 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCOCc1ccccc1)C2 ZINC000629592336 351425491 /nfs/dbraw/zinc/42/54/91/351425491.db2.gz ALKFEKUNSLABOB-CALCHBBNSA-N 2 1 274.408 2.135 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c(C)c1 ZINC000070170559 363043446 /nfs/dbraw/zinc/04/34/46/363043446.db2.gz FNLVKGBYOYMPMX-OAHLLOKOSA-N 2 1 289.423 2.303 20 0 CEADMP C[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291392335 198008441 /nfs/dbraw/zinc/00/84/41/198008441.db2.gz CQQSALZQQLTTAB-INIZCTEOSA-N 2 1 288.435 2.355 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070171071 363045020 /nfs/dbraw/zinc/04/50/20/363045020.db2.gz URFWUPSSPWYGLI-INIZCTEOSA-N 2 1 297.487 2.476 20 0 CEADMP [NH3+]CCC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000070188173 363050614 /nfs/dbraw/zinc/05/06/14/363050614.db2.gz UCEYYAALUFLVCW-UHFFFAOYSA-N 2 1 275.352 2.495 20 0 CEADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C[N@@H+](C)C1CCC1 ZINC000629974282 351563607 /nfs/dbraw/zinc/56/36/07/351563607.db2.gz XVQTUSPEMVNTOB-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP CCCN(CC[NH+](CC)CC)C(=O)C[N@@H+](C)C1CCC1 ZINC000629980582 351568731 /nfs/dbraw/zinc/56/87/31/351568731.db2.gz GPZMHJUQXGUTJA-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)C(C)(C)C ZINC000630383163 351716997 /nfs/dbraw/zinc/71/69/97/351716997.db2.gz YNTUXDHOUPTMOT-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[C@@H](C)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000337180851 366057840 /nfs/dbraw/zinc/05/78/40/366057840.db2.gz MGWNNUKJJQCQLB-MRXNPFEDSA-N 2 1 269.477 2.238 20 0 CEADMP C[NH+](C)CCCC1CC[NH+](Cc2ccon2)CC1 ZINC000123144738 187073960 /nfs/dbraw/zinc/07/39/60/187073960.db2.gz SLNCBGPYWWOISE-UHFFFAOYSA-N 2 1 251.374 2.228 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC[NH+]2CCCCCC2)[C@H](C)C1 ZINC000123966257 187116295 /nfs/dbraw/zinc/11/62/95/187116295.db2.gz IGUDNHZGGTZKSL-HZPDHXFCSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cncn1C ZINC000631196068 352010859 /nfs/dbraw/zinc/01/08/59/352010859.db2.gz NPCIMISASVNNRL-DOTOQJQBSA-N 2 1 298.434 2.278 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cncn1C ZINC000631196068 352010860 /nfs/dbraw/zinc/01/08/60/352010860.db2.gz NPCIMISASVNNRL-DOTOQJQBSA-N 2 1 298.434 2.278 20 0 CEADMP COc1cncc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1C ZINC000631155548 351989936 /nfs/dbraw/zinc/98/99/36/351989936.db2.gz PGNDWRLREFURQD-UHFFFAOYSA-N 2 1 277.412 2.363 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1cc(Br)cs1 ZINC000070600571 363101093 /nfs/dbraw/zinc/10/10/93/363101093.db2.gz INDPINWJBAZBGC-UHFFFAOYSA-N 2 1 263.204 2.338 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCn3nccc32)CC1(C)C ZINC000631299236 352059944 /nfs/dbraw/zinc/05/99/44/352059944.db2.gz WSZVUENWSCEBJG-CHWSQXEVSA-N 2 1 262.401 2.180 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCn3nccc32)CC1(C)C ZINC000631299236 352059946 /nfs/dbraw/zinc/05/99/46/352059946.db2.gz WSZVUENWSCEBJG-CHWSQXEVSA-N 2 1 262.401 2.180 20 0 CEADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](O)C(F)(F)F ZINC000631232074 352028494 /nfs/dbraw/zinc/02/84/94/352028494.db2.gz NNHRJHBSEYUDIX-SRVKXCTJSA-N 2 1 296.377 2.397 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CCCOc3ccccc3)C2)C1 ZINC000292111968 198167248 /nfs/dbraw/zinc/16/72/48/198167248.db2.gz JDNFNGBSKZPZKQ-KRWDZBQOSA-N 2 1 274.408 2.483 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CCCOc3ccccc3)C2)C1 ZINC000292111968 198167250 /nfs/dbraw/zinc/16/72/50/198167250.db2.gz JDNFNGBSKZPZKQ-KRWDZBQOSA-N 2 1 274.408 2.483 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCOc3ccccc3)C2)C1 ZINC000292111968 198167251 /nfs/dbraw/zinc/16/72/51/198167251.db2.gz JDNFNGBSKZPZKQ-KRWDZBQOSA-N 2 1 274.408 2.483 20 0 CEADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@H]1CC1(C)C ZINC000487319110 290342376 /nfs/dbraw/zinc/34/23/76/290342376.db2.gz IOYFHKGHPWPTEG-GDBMZVCRSA-N 2 1 281.488 2.284 20 0 CEADMP CCc1cccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000569248802 299191808 /nfs/dbraw/zinc/19/18/08/299191808.db2.gz CQBWSKZYLPOUME-UHFFFAOYSA-N 2 1 289.467 2.365 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)CC[N@H+]1C ZINC000152219861 188003226 /nfs/dbraw/zinc/00/32/26/188003226.db2.gz RQFRJZSODCIGKP-ZBFHGGJFSA-N 2 1 284.407 2.445 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1F ZINC000153722482 188099915 /nfs/dbraw/zinc/09/99/15/188099915.db2.gz YBSIBEACGNSBPQ-CYBMUJFWSA-N 2 1 268.376 2.445 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1F ZINC000153722482 188099917 /nfs/dbraw/zinc/09/99/17/188099917.db2.gz YBSIBEACGNSBPQ-CYBMUJFWSA-N 2 1 268.376 2.445 20 0 CEADMP Cc1ccsc1[C@@H](CO)[NH2+]CCCn1cc[nH+]c1C ZINC000494624077 290984324 /nfs/dbraw/zinc/98/43/24/290984324.db2.gz FYVYVKZUQOXKLK-CYBMUJFWSA-N 2 1 279.409 2.275 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccsc2)CC1 ZINC000154394096 188139568 /nfs/dbraw/zinc/13/95/68/188139568.db2.gz VMDAJEGKRYFCSJ-AWEZNQCLSA-N 2 1 268.426 2.246 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc(COC)c2)CC[C@H]1[NH3+] ZINC000251703514 539989684 /nfs/dbraw/zinc/98/96/84/539989684.db2.gz JCULCQUJSQLJBT-HZPDHXFCSA-N 2 1 262.397 2.392 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000155490129 188210276 /nfs/dbraw/zinc/21/02/76/188210276.db2.gz GTPVYKFUJUWZNX-UHFFFAOYSA-N 2 1 294.443 2.112 20 0 CEADMP Cc1ccc(OCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000156264780 188252494 /nfs/dbraw/zinc/25/24/94/188252494.db2.gz OHZUQWUVYFGVEM-CABCVRRESA-N 2 1 262.397 2.446 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cn(C)nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000251927720 539994657 /nfs/dbraw/zinc/99/46/57/539994657.db2.gz YYUKZZLESUOSDZ-GXTWGEPZSA-N 2 1 278.444 2.277 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cn(C)nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000251927720 539994660 /nfs/dbraw/zinc/99/46/60/539994660.db2.gz YYUKZZLESUOSDZ-GXTWGEPZSA-N 2 1 278.444 2.277 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C(C)C ZINC000252413801 540002550 /nfs/dbraw/zinc/00/25/50/540002550.db2.gz FOWOKUFWWYVFFF-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C(C)C ZINC000252413801 540002554 /nfs/dbraw/zinc/00/25/54/540002554.db2.gz FOWOKUFWWYVFFF-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3ccccn3)CC[C@@H]21 ZINC000158516452 188380332 /nfs/dbraw/zinc/38/03/32/188380332.db2.gz MOXOHHKCEOIGDL-ZBFHGGJFSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3ccccn3)CC[C@@H]21 ZINC000158516452 188380333 /nfs/dbraw/zinc/38/03/33/188380333.db2.gz MOXOHHKCEOIGDL-ZBFHGGJFSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccccn3)CC[C@@H]21 ZINC000158516452 188380334 /nfs/dbraw/zinc/38/03/34/188380334.db2.gz MOXOHHKCEOIGDL-ZBFHGGJFSA-N 2 1 259.397 2.040 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCOc2ccccc21 ZINC000252833173 540008893 /nfs/dbraw/zinc/00/88/93/540008893.db2.gz OPJPDUUKWHNJBH-MCIONIFRSA-N 2 1 260.381 2.364 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000495080214 291016090 /nfs/dbraw/zinc/01/60/90/291016090.db2.gz CEFBAQRIBAOXOZ-CABCVRRESA-N 2 1 295.471 2.001 20 0 CEADMP CCO[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000451528057 283022647 /nfs/dbraw/zinc/02/26/47/283022647.db2.gz HZKWQKKTIZKBLE-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CCO[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000451528057 283022649 /nfs/dbraw/zinc/02/26/49/283022649.db2.gz HZKWQKKTIZKBLE-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CCO[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC000451528057 283022650 /nfs/dbraw/zinc/02/26/50/283022650.db2.gz HZKWQKKTIZKBLE-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNc1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000569866578 299223322 /nfs/dbraw/zinc/22/33/22/299223322.db2.gz QNEVAPBQWDHGAT-ZDUSSCGKSA-N 2 1 293.459 2.230 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCC1CCOCC1 ZINC000682070019 540066273 /nfs/dbraw/zinc/06/62/73/540066273.db2.gz BVHSPWQRLLJXAC-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCC1CCOCC1 ZINC000682070019 540066275 /nfs/dbraw/zinc/06/62/75/540066275.db2.gz BVHSPWQRLLJXAC-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCC1CCOCC1 ZINC000682070019 540066276 /nfs/dbraw/zinc/06/62/76/540066276.db2.gz BVHSPWQRLLJXAC-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCC1CCOCC1 ZINC000682070019 540066278 /nfs/dbraw/zinc/06/62/78/540066278.db2.gz BVHSPWQRLLJXAC-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271834855 191356781 /nfs/dbraw/zinc/35/67/81/191356781.db2.gz FRUMDKPGLLJHIZ-LPHOPBHVSA-N 2 1 299.462 2.358 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccnn2C)C(C)C)[C@H](C)C1 ZINC000682647362 540130959 /nfs/dbraw/zinc/13/09/59/540130959.db2.gz PZDDHFXXZWHYPN-OAGGEKHMSA-N 2 1 292.471 2.480 20 0 CEADMP COC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000495692757 291066330 /nfs/dbraw/zinc/06/63/30/291066330.db2.gz XHNFYRGBXXUKMY-SWLSCSKDSA-N 2 1 291.395 2.295 20 0 CEADMP CC[C@@H](C)[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000451820239 283116015 /nfs/dbraw/zinc/11/60/15/283116015.db2.gz CZPUMTWMEXJWEG-HZPDHXFCSA-N 2 1 267.461 2.277 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCO2)[C@H]2CCC[C@H]21 ZINC000353514254 283139143 /nfs/dbraw/zinc/13/91/43/283139143.db2.gz BZTXCUJGQVHQFB-BARDWOONSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C1CCCCC1 ZINC000385204754 540225517 /nfs/dbraw/zinc/22/55/17/540225517.db2.gz VQOFUUNHBSJEBV-GJZGRUSLSA-N 2 1 256.434 2.248 20 0 CEADMP c1nc(C2CC2)c(C[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000414858501 540246724 /nfs/dbraw/zinc/24/67/24/540246724.db2.gz RULVQRWRYRXZST-JTQLQIEISA-N 2 1 251.399 2.110 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000311319581 283173279 /nfs/dbraw/zinc/17/32/79/283173279.db2.gz BNLOBIONSIJGDX-RYUDHWBXSA-N 2 1 282.350 2.418 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000311319581 283173282 /nfs/dbraw/zinc/17/32/82/283173282.db2.gz BNLOBIONSIJGDX-RYUDHWBXSA-N 2 1 282.350 2.418 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCO[C@@H]1CCCCO1 ZINC000338285353 366273108 /nfs/dbraw/zinc/27/31/08/366273108.db2.gz KVZJZJKACSMYOO-MRXNPFEDSA-N 2 1 295.427 2.447 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCO[C@@H]1CCCCO1 ZINC000338285353 366273114 /nfs/dbraw/zinc/27/31/14/366273114.db2.gz KVZJZJKACSMYOO-MRXNPFEDSA-N 2 1 295.427 2.447 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338310780 366287090 /nfs/dbraw/zinc/28/70/90/366287090.db2.gz BTXXMPVAPYAQOR-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338310780 366287096 /nfs/dbraw/zinc/28/70/96/366287096.db2.gz BTXXMPVAPYAQOR-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000076000647 363506127 /nfs/dbraw/zinc/50/61/27/363506127.db2.gz YNTAYZGOEYGDHG-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000496134719 291110921 /nfs/dbraw/zinc/11/09/21/291110921.db2.gz SWILWRCDUDSCTF-CABCVRRESA-N 2 1 297.443 2.071 20 0 CEADMP CCNC(=O)OC[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000496134719 291110923 /nfs/dbraw/zinc/11/09/23/291110923.db2.gz SWILWRCDUDSCTF-CABCVRRESA-N 2 1 297.443 2.071 20 0 CEADMP CCNC(=O)OC[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000496134719 291110926 /nfs/dbraw/zinc/11/09/26/291110926.db2.gz SWILWRCDUDSCTF-CABCVRRESA-N 2 1 297.443 2.071 20 0 CEADMP CCNC(=O)OC[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000496134719 291110928 /nfs/dbraw/zinc/11/09/28/291110928.db2.gz SWILWRCDUDSCTF-CABCVRRESA-N 2 1 297.443 2.071 20 0 CEADMP COc1ccccc1OCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000570259462 299248988 /nfs/dbraw/zinc/24/89/88/299248988.db2.gz GUJHWLUHYCKVGU-UHFFFAOYSA-N 2 1 290.407 2.290 20 0 CEADMP NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336502585 283264533 /nfs/dbraw/zinc/26/45/33/283264533.db2.gz XTKHLOQDGWUQEE-CQSZACIVSA-N 2 1 273.380 2.338 20 0 CEADMP O=C(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)NC1CCCCC1 ZINC000166249785 540294825 /nfs/dbraw/zinc/29/48/25/540294825.db2.gz FLOUTIZREDJPAQ-HZPDHXFCSA-N 2 1 293.455 2.042 20 0 CEADMP C[N@@H+](CCN[C@H]1CC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000166275425 540296001 /nfs/dbraw/zinc/29/60/01/540296001.db2.gz MSWBIPDMOISFNN-ZWKOTPCHSA-N 2 1 287.451 2.335 20 0 CEADMP C[NH+](CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000166275425 540296003 /nfs/dbraw/zinc/29/60/03/540296003.db2.gz MSWBIPDMOISFNN-ZWKOTPCHSA-N 2 1 287.451 2.335 20 0 CEADMP C[NH+](CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000166275425 540296006 /nfs/dbraw/zinc/29/60/06/540296006.db2.gz MSWBIPDMOISFNN-ZWKOTPCHSA-N 2 1 287.451 2.335 20 0 CEADMP CN(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000166275425 540296010 /nfs/dbraw/zinc/29/60/10/540296010.db2.gz MSWBIPDMOISFNN-ZWKOTPCHSA-N 2 1 287.451 2.335 20 0 CEADMP CN(CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000166275425 540296014 /nfs/dbraw/zinc/29/60/14/540296014.db2.gz MSWBIPDMOISFNN-ZWKOTPCHSA-N 2 1 287.451 2.335 20 0 CEADMP C[C@@H](CN[C@@H](C)c1ncc[nH]1)[N@H+]1CCCC[C@@H]1C ZINC000353460733 540315586 /nfs/dbraw/zinc/31/55/86/540315586.db2.gz LGPIJGFKYWVNGE-AVGNSLFASA-N 2 1 250.390 2.323 20 0 CEADMP CCCC[C@H](CC)CC[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000356076647 540349437 /nfs/dbraw/zinc/34/94/37/540349437.db2.gz JJKIYFGDZHKVPK-INIZCTEOSA-N 2 1 297.487 2.347 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000389780244 540363842 /nfs/dbraw/zinc/36/38/42/540363842.db2.gz YVVYZVPOXZAKQO-JKSUJKDBSA-N 2 1 289.423 2.067 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@](C)(CO)Cc1ccccc1 ZINC000357791475 540368513 /nfs/dbraw/zinc/36/85/13/540368513.db2.gz OFNUAKZTJYGFCU-KBAYOESNSA-N 2 1 290.451 2.158 20 0 CEADMP CCCC[C@H](CC)CC[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358151482 540371689 /nfs/dbraw/zinc/37/16/89/540371689.db2.gz BBJBYRJIGDJXQR-GJZGRUSLSA-N 2 1 256.434 2.249 20 0 CEADMP CCCC[C@H](CC)CC[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358151482 540371691 /nfs/dbraw/zinc/37/16/91/540371691.db2.gz BBJBYRJIGDJXQR-GJZGRUSLSA-N 2 1 256.434 2.249 20 0 CEADMP C[C@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)C[N@H+]1C1CC1 ZINC000366285615 291145332 /nfs/dbraw/zinc/14/53/32/291145332.db2.gz QXKMZKZUBUJBBR-BOLLXYOYSA-N 2 1 277.456 2.218 20 0 CEADMP CC(C)[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000135187929 366405087 /nfs/dbraw/zinc/40/50/87/366405087.db2.gz KGMCXEKPHIIPGY-QGZVFWFLSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000577859577 366407252 /nfs/dbraw/zinc/40/72/52/366407252.db2.gz DWQYADFBGMVBGI-SOLBZPMBSA-N 2 1 290.451 2.473 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000570832006 299280514 /nfs/dbraw/zinc/28/05/14/299280514.db2.gz OKBFELIYFZSVQD-GOEBONIOSA-N 2 1 276.428 2.295 20 0 CEADMP C[C@H]([NH2+]CC1(O)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347918880 299283735 /nfs/dbraw/zinc/28/37/35/299283735.db2.gz BVCBQQINUJNQIA-KBPBESRZSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338785439 366522075 /nfs/dbraw/zinc/52/20/75/366522075.db2.gz NFQCRMSCBOHFAK-DAXOMENPSA-N 2 1 295.858 2.482 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338785439 366522079 /nfs/dbraw/zinc/52/20/79/366522079.db2.gz NFQCRMSCBOHFAK-DAXOMENPSA-N 2 1 295.858 2.482 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC2([NH3+])CCC2)C1 ZINC000168643981 540430558 /nfs/dbraw/zinc/43/05/58/540430558.db2.gz FXNOIKXLFUDYFR-CQSZACIVSA-N 2 1 295.471 2.275 20 0 CEADMP COc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1F ZINC000311363890 540456565 /nfs/dbraw/zinc/45/65/65/540456565.db2.gz IRHAFIRDZVGXSO-IAQYHMDHSA-N 2 1 266.360 2.251 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1F ZINC000311363890 540456570 /nfs/dbraw/zinc/45/65/70/540456570.db2.gz IRHAFIRDZVGXSO-IAQYHMDHSA-N 2 1 266.360 2.251 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000311747216 540457955 /nfs/dbraw/zinc/45/79/55/540457955.db2.gz UHZAGFHDIZJZEY-JYJNAYRXSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000311747216 540457958 /nfs/dbraw/zinc/45/79/58/540457958.db2.gz UHZAGFHDIZJZEY-JYJNAYRXSA-N 2 1 268.445 2.342 20 0 CEADMP Cc1ccc(C[N@H+](CCO)Cc2cnc3n2CCC3)cc1 ZINC000667968666 540543405 /nfs/dbraw/zinc/54/34/05/540543405.db2.gz XQHVSQOSNKALLW-UHFFFAOYSA-N 2 1 285.391 2.132 20 0 CEADMP Cc1ccc(C[N@@H+](CCO)Cc2cnc3n2CCC3)cc1 ZINC000667968666 540543408 /nfs/dbraw/zinc/54/34/08/540543408.db2.gz XQHVSQOSNKALLW-UHFFFAOYSA-N 2 1 285.391 2.132 20 0 CEADMP [NH3+]CCCN(Cc1c[nH+]c2n1CCC2)c1cccc(F)c1 ZINC000667973002 540544072 /nfs/dbraw/zinc/54/40/72/540544072.db2.gz FCJSASXMIXYIFR-UHFFFAOYSA-N 2 1 288.370 2.324 20 0 CEADMP Cc1[nH+]cc(CN(CCC[NH3+])c2ccccc2F)n1C ZINC000667973666 540544846 /nfs/dbraw/zinc/54/48/46/540544846.db2.gz ZUNCOOCKZDXAMC-UHFFFAOYSA-N 2 1 276.359 2.223 20 0 CEADMP COC1([C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]2CCCC2)CCOCC1 ZINC000453084192 283468091 /nfs/dbraw/zinc/46/80/91/283468091.db2.gz NVJIRLUCOUSBCI-HZPDHXFCSA-N 2 1 298.471 2.281 20 0 CEADMP c1ccc2c(c1)OC[C@@H]2C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297409136 200179610 /nfs/dbraw/zinc/17/96/10/200179610.db2.gz LECXISSTNCDIOM-ZDUSSCGKSA-N 2 1 272.392 2.379 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000341697914 216069971 /nfs/dbraw/zinc/06/99/71/216069971.db2.gz XIJKVNMHWXAXQQ-LBPRGKRZSA-N 2 1 270.417 2.181 20 0 CEADMP COCC[NH2+]C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000578754201 366543094 /nfs/dbraw/zinc/54/30/94/366543094.db2.gz UPCUMXGVDKSZLI-UHFFFAOYSA-N 2 1 288.435 2.376 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000578903306 366566008 /nfs/dbraw/zinc/56/60/08/366566008.db2.gz CUEBOXVCSISSDK-RDJZCZTQSA-N 2 1 294.414 2.487 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000578903306 366566013 /nfs/dbraw/zinc/56/60/13/366566013.db2.gz CUEBOXVCSISSDK-RDJZCZTQSA-N 2 1 294.414 2.487 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000578906470 366566345 /nfs/dbraw/zinc/56/63/45/366566345.db2.gz MNMOZXXKEYQWRD-ZDUSSCGKSA-N 2 1 262.401 2.312 20 0 CEADMP CCOC(=O)c1coc(C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000338954113 366588490 /nfs/dbraw/zinc/58/84/90/366588490.db2.gz IRJINIYDYVIZIU-UHFFFAOYSA-N 2 1 291.351 2.141 20 0 CEADMP CCC[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000081006038 363695184 /nfs/dbraw/zinc/69/51/84/363695184.db2.gz PQWVSORNWTZKFP-UHFFFAOYSA-N 2 1 261.413 2.430 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339066414 366637723 /nfs/dbraw/zinc/63/77/23/366637723.db2.gz CIWVDXMRZHOITN-TWMKSMIVSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339066414 366637731 /nfs/dbraw/zinc/63/77/31/366637731.db2.gz CIWVDXMRZHOITN-TWMKSMIVSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066414 366637736 /nfs/dbraw/zinc/63/77/36/366637736.db2.gz CIWVDXMRZHOITN-TWMKSMIVSA-N 2 1 279.472 2.466 20 0 CEADMP Fc1ccccc1OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339066257 366637814 /nfs/dbraw/zinc/63/78/14/366637814.db2.gz JKSXQEOGLDKLSU-ZIAGYGMSSA-N 2 1 278.371 2.421 20 0 CEADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339065619 366637962 /nfs/dbraw/zinc/63/79/62/366637962.db2.gz BPWFOMTVBFZUEL-IJLUTSLNSA-N 2 1 280.334 2.170 20 0 CEADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1noc2ccccc21 ZINC000579374800 366638455 /nfs/dbraw/zinc/63/84/55/366638455.db2.gz ZZGCWNVYFUWPLO-YPMHNXCESA-N 2 1 259.353 2.435 20 0 CEADMP OCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000339073639 366640654 /nfs/dbraw/zinc/64/06/54/366640654.db2.gz CGFWEAYZMPSNRT-CABCVRRESA-N 2 1 278.371 2.034 20 0 CEADMP OCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000339073639 366640656 /nfs/dbraw/zinc/64/06/56/366640656.db2.gz CGFWEAYZMPSNRT-CABCVRRESA-N 2 1 278.371 2.034 20 0 CEADMP OCCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000339072277 366640921 /nfs/dbraw/zinc/64/09/21/366640921.db2.gz VOZONXODWMKCSE-GJZGRUSLSA-N 2 1 266.429 2.146 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]CCCN2CCC(O)CC2)o1 ZINC000151378752 366641862 /nfs/dbraw/zinc/64/18/62/366641862.db2.gz YGOZMUWGTLENIX-ZDUSSCGKSA-N 2 1 266.385 2.085 20 0 CEADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000236963451 370666787 /nfs/dbraw/zinc/66/67/87/370666787.db2.gz FKMJHZTVHKVRJN-RBSFLKMASA-N 2 1 297.487 2.377 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000341896344 216140669 /nfs/dbraw/zinc/14/06/69/216140669.db2.gz KFXIZBJMJCFVQP-JOCBIADPSA-N 2 1 290.451 2.156 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+](C)C)c1 ZINC000674289365 540741265 /nfs/dbraw/zinc/74/12/65/540741265.db2.gz FSFJEEVEGRJWPF-AWEZNQCLSA-N 2 1 291.439 2.093 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000178185495 189095825 /nfs/dbraw/zinc/09/58/25/189095825.db2.gz PWIHGGBSARBLTP-MNVSYLFESA-N 2 1 294.464 2.416 20 0 CEADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H](C)[NH3+])c1 ZINC000178850122 189150531 /nfs/dbraw/zinc/15/05/31/189150531.db2.gz SLJVRGXGRDVQDT-AWEZNQCLSA-N 2 1 291.439 2.272 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000675770154 540872677 /nfs/dbraw/zinc/87/26/77/540872677.db2.gz WSSPECWCBTUVMM-OWCLPIDISA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000675770154 540872678 /nfs/dbraw/zinc/87/26/78/540872678.db2.gz WSSPECWCBTUVMM-OWCLPIDISA-N 3 1 281.488 2.427 20 0 CEADMP C[C@H](CC1CCC1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000675821075 540876528 /nfs/dbraw/zinc/87/65/28/540876528.db2.gz CLBKCLDMVFJSAI-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCc2ccc(O)cc2)CC[N@H+]1C ZINC000675891310 540879625 /nfs/dbraw/zinc/87/96/25/540879625.db2.gz NWXRKTSYQYZKRT-HIFRSBDPSA-N 2 1 262.397 2.397 20 0 CEADMP CC[C@H](CO)[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180156440 189239873 /nfs/dbraw/zinc/23/98/73/189239873.db2.gz BIODGFUALKTRFA-MHORFTMASA-N 2 1 288.435 2.258 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCC[C@@H](CO)C2)s1 ZINC000342250632 216279577 /nfs/dbraw/zinc/27/95/77/216279577.db2.gz PVEQYPBCRNQQAV-QWHCGFSZSA-N 2 1 297.468 2.093 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000677440429 541014709 /nfs/dbraw/zinc/01/47/09/541014709.db2.gz HFVNLPPGKOGFRA-UHFFFAOYSA-N 2 1 298.390 2.116 20 0 CEADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)CCC[NH3+] ZINC000580074409 366746487 /nfs/dbraw/zinc/74/64/87/366746487.db2.gz RUYZBNAWMMCYBH-UHFFFAOYSA-N 2 1 290.386 2.409 20 0 CEADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)CCC[NH3+] ZINC000580074409 366746494 /nfs/dbraw/zinc/74/64/94/366746494.db2.gz RUYZBNAWMMCYBH-UHFFFAOYSA-N 2 1 290.386 2.409 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC[NH+]1CCC(C)CC1 ZINC000154175385 366760801 /nfs/dbraw/zinc/76/08/01/366760801.db2.gz HNYICZQLCCUMKO-SJORKVTESA-N 2 1 279.472 2.277 20 0 CEADMP Cc1noc([C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000678045903 541071522 /nfs/dbraw/zinc/07/15/22/541071522.db2.gz LXAMLGVQBAJVCS-LBPRGKRZSA-N 2 1 280.416 2.493 20 0 CEADMP OCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581547996 366793103 /nfs/dbraw/zinc/79/31/03/366793103.db2.gz KFWZBKXQQLFCKJ-INIZCTEOSA-N 2 1 274.408 2.156 20 0 CEADMP OCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581547996 366793107 /nfs/dbraw/zinc/79/31/07/366793107.db2.gz KFWZBKXQQLFCKJ-INIZCTEOSA-N 2 1 274.408 2.156 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC[N@@H+]1C ZINC000155926873 366824739 /nfs/dbraw/zinc/82/47/39/366824739.db2.gz GHLOKCRZMXGSRB-JJXSEGSLSA-N 2 1 276.428 2.439 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC[N@H+]1C ZINC000155926873 366824743 /nfs/dbraw/zinc/82/47/43/366824743.db2.gz GHLOKCRZMXGSRB-JJXSEGSLSA-N 2 1 276.428 2.439 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000020047982 361575850 /nfs/dbraw/zinc/57/58/50/361575850.db2.gz RZFBSQRRCOZROZ-AWEZNQCLSA-N 2 1 289.423 2.140 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000020047982 361575858 /nfs/dbraw/zinc/57/58/58/361575858.db2.gz RZFBSQRRCOZROZ-AWEZNQCLSA-N 2 1 289.423 2.140 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000020087920 361577125 /nfs/dbraw/zinc/57/71/25/361577125.db2.gz MEMSEWXMJOGLSA-UHFFFAOYSA-N 2 1 287.407 2.206 20 0 CEADMP COC[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678260846 541103903 /nfs/dbraw/zinc/10/39/03/541103903.db2.gz OVRCRYCLUYEVKI-INIZCTEOSA-N 2 1 292.423 2.095 20 0 CEADMP C[N@H+](Cc1[nH]nc2ccccc21)CC1CC[NH+](C)CC1 ZINC000678239129 541098244 /nfs/dbraw/zinc/09/82/44/541098244.db2.gz SPDNXFIMLKSGQP-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP C[N@@H+](Cc1n[nH]c2ccccc21)CC1CC[NH+](C)CC1 ZINC000678239129 541098247 /nfs/dbraw/zinc/09/82/47/541098247.db2.gz SPDNXFIMLKSGQP-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP C[N@H+](Cc1n[nH]c2ccccc21)CC1CC[NH+](C)CC1 ZINC000678239129 541098250 /nfs/dbraw/zinc/09/82/50/541098250.db2.gz SPDNXFIMLKSGQP-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H](C(=O)N2CCCC2)C(C)C)CC1 ZINC000678772845 541170870 /nfs/dbraw/zinc/17/08/70/541170870.db2.gz GKRNMMMBOPDSDR-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP COc1ccc(CN2CCC[C@H](n3ccnc3)C2)nc1 ZINC000678883301 541187892 /nfs/dbraw/zinc/18/78/92/541187892.db2.gz SWAASENSASUABU-AWEZNQCLSA-N 2 1 272.352 2.124 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000088100141 363878049 /nfs/dbraw/zinc/87/80/49/363878049.db2.gz NSUGKYDKNLMVNQ-CZUORRHYSA-N 2 1 274.408 2.223 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000089147483 363936494 /nfs/dbraw/zinc/93/64/94/363936494.db2.gz ZFBRSOJUDRYSAO-WMZOPIPTSA-N 2 1 287.451 2.368 20 0 CEADMP C1C(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1[NH+]1CCCCC1 ZINC000334613335 364082916 /nfs/dbraw/zinc/08/29/16/364082916.db2.gz OJVYMQZHEBBGSO-KZYLPZIUSA-N 2 1 277.456 2.220 20 0 CEADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc[nH]c3)CC2)C[C@H](C)O1 ZINC000092587356 364083527 /nfs/dbraw/zinc/08/35/27/364083527.db2.gz ZYMRSJOCDYMERI-GASCZTMLSA-N 2 1 291.439 2.336 20 0 CEADMP COCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090585248 364062745 /nfs/dbraw/zinc/06/27/45/364062745.db2.gz SUWXZDTYJAWSRB-LSDHHAIUSA-N 2 1 256.434 2.369 20 0 CEADMP Cc1ccncc1N1CC[NH+](Cc2ccco2)CC1 ZINC000334618799 364088431 /nfs/dbraw/zinc/08/84/31/364088431.db2.gz FCYPPFPPEMFBBT-UHFFFAOYSA-N 2 1 257.337 2.305 20 0 CEADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)[nH]2)CC1 ZINC000093084911 364140146 /nfs/dbraw/zinc/14/01/46/364140146.db2.gz HQGYQLUGZJUGCW-UHFFFAOYSA-N 2 1 293.411 2.155 20 0 CEADMP COc1ccccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093089199 364140166 /nfs/dbraw/zinc/14/01/66/364140166.db2.gz BHPDWFMQOVZSPS-UHFFFAOYSA-N 2 1 262.397 2.469 20 0 CEADMP COc1cc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)ccn1 ZINC000093516417 364197849 /nfs/dbraw/zinc/19/78/49/364197849.db2.gz SQDNOTOBYPXNSF-HIFRSBDPSA-N 2 1 277.412 2.491 20 0 CEADMP Cn1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563823 364200626 /nfs/dbraw/zinc/20/06/26/364200626.db2.gz YIHGHRZGMMLLEZ-INIZCTEOSA-N 2 1 261.413 2.475 20 0 CEADMP Cn1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563823 364200627 /nfs/dbraw/zinc/20/06/27/364200627.db2.gz YIHGHRZGMMLLEZ-INIZCTEOSA-N 2 1 261.413 2.475 20 0 CEADMP Cn1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683548 364213778 /nfs/dbraw/zinc/21/37/78/364213778.db2.gz FPIWFCZQXOZECV-INIZCTEOSA-N 2 1 261.413 2.333 20 0 CEADMP Cn1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683548 364213780 /nfs/dbraw/zinc/21/37/80/364213780.db2.gz FPIWFCZQXOZECV-INIZCTEOSA-N 2 1 261.413 2.333 20 0 CEADMP C[N@H+](Cc1cnn(-c2ccccc2)c1)CC(C)(C)C[NH3+] ZINC000093861277 364235774 /nfs/dbraw/zinc/23/57/74/364235774.db2.gz IPEUEKWZCFVASY-UHFFFAOYSA-N 2 1 272.396 2.289 20 0 CEADMP C[N@@H+](Cc1cnn(-c2ccccc2)c1)CC(C)(C)C[NH3+] ZINC000093861277 364235780 /nfs/dbraw/zinc/23/57/80/364235780.db2.gz IPEUEKWZCFVASY-UHFFFAOYSA-N 2 1 272.396 2.289 20 0 CEADMP C[N@@H+](CCC(=O)Nc1cccc(F)c1)CC(C)(C)C[NH3+] ZINC000093874358 364238318 /nfs/dbraw/zinc/23/83/18/364238318.db2.gz GSVOCYWRURFHMM-UHFFFAOYSA-N 2 1 281.375 2.071 20 0 CEADMP CSc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000334995931 364326323 /nfs/dbraw/zinc/32/63/23/364326323.db2.gz HEEMLRHUKCWCKY-JSGCOSHPSA-N 2 1 262.422 2.450 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000334980296 364304811 /nfs/dbraw/zinc/30/48/11/364304811.db2.gz MEHJBVMMGJPHNJ-HOCLYGCPSA-N 2 1 274.408 2.435 20 0 CEADMP Cc1ccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2c1 ZINC000334982010 364306543 /nfs/dbraw/zinc/30/65/43/364306543.db2.gz XMYXDINZPKMWQZ-CVEARBPZSA-N 2 1 298.434 2.464 20 0 CEADMP Nc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000334983757 364309376 /nfs/dbraw/zinc/30/93/76/364309376.db2.gz NYHSMUMWVYGIJV-GDBMZVCRSA-N 2 1 259.397 2.233 20 0 CEADMP C1C[C@@]2(CS1)CCC[N@H+]([C@@H]1CCC[NH2+]CC1)C2 ZINC000335009079 364345501 /nfs/dbraw/zinc/34/55/01/364345501.db2.gz JYGNMQKMJQOAHM-KGLIPLIRSA-N 2 1 254.443 2.348 20 0 CEADMP Clc1ccccc1CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000680044876 541359330 /nfs/dbraw/zinc/35/93/30/541359330.db2.gz CNTBFBHXDFRLEG-KBPBESRZSA-N 2 1 264.800 2.424 20 0 CEADMP C[N@H+]1CCC[C@H]2CN(Cc3cccc(F)c3N)CC[C@@H]21 ZINC000156402633 366831906 /nfs/dbraw/zinc/83/19/06/366831906.db2.gz CPMMVTKTMHBLCR-WFASDCNBSA-N 2 1 277.387 2.324 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3N)CC[C@@H]21 ZINC000156402633 366831910 /nfs/dbraw/zinc/83/19/10/366831910.db2.gz CPMMVTKTMHBLCR-WFASDCNBSA-N 2 1 277.387 2.324 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3N)CC[C@@H]21 ZINC000156402633 366831913 /nfs/dbraw/zinc/83/19/13/366831913.db2.gz CPMMVTKTMHBLCR-WFASDCNBSA-N 2 1 277.387 2.324 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(F)c3N)CC[C@@H]21 ZINC000156402633 366831917 /nfs/dbraw/zinc/83/19/17/366831917.db2.gz CPMMVTKTMHBLCR-WFASDCNBSA-N 2 1 277.387 2.324 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3N)CC[C@@H]21 ZINC000156402633 366831921 /nfs/dbraw/zinc/83/19/21/366831921.db2.gz CPMMVTKTMHBLCR-WFASDCNBSA-N 2 1 277.387 2.324 20 0 CEADMP C[N@H+]1CCCC12CCN(CC[C@H]1CCCC[NH+]1C)CC2 ZINC000335110131 364490408 /nfs/dbraw/zinc/49/04/08/364490408.db2.gz GDSQYKUDYBEIRO-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP C[NH+]1CCCC12CCN(CC[C@H]1CCCC[N@@H+]1C)CC2 ZINC000335110131 364490414 /nfs/dbraw/zinc/49/04/14/364490414.db2.gz GDSQYKUDYBEIRO-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP C[NH+]1CCCC12CCN(CC[C@H]1CCCC[N@H+]1C)CC2 ZINC000335110131 364490421 /nfs/dbraw/zinc/49/04/21/364490421.db2.gz GDSQYKUDYBEIRO-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP Cc1ncsc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000335147817 364542950 /nfs/dbraw/zinc/54/29/50/364542950.db2.gz QMNPDHZPBGEMLM-CHWSQXEVSA-N 2 1 265.426 2.368 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000103826428 364670242 /nfs/dbraw/zinc/67/02/42/364670242.db2.gz FBRCGOWFGLHOGS-CQSZACIVSA-N 2 1 292.423 2.444 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000103826428 364670247 /nfs/dbraw/zinc/67/02/47/364670247.db2.gz FBRCGOWFGLHOGS-CQSZACIVSA-N 2 1 292.423 2.444 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2c1 ZINC000335634523 212348768 /nfs/dbraw/zinc/34/87/68/212348768.db2.gz PGXOLXGKRHLRNU-HZPDHXFCSA-N 2 1 298.434 2.464 20 0 CEADMP Clc1cccc2c1OCCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335553454 364802546 /nfs/dbraw/zinc/80/25/46/364802546.db2.gz WOYLMGZPEZJEGL-CYBMUJFWSA-N 2 1 266.772 2.363 20 0 CEADMP C[C@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CC2(CCC2)O1 ZINC000335464292 364768148 /nfs/dbraw/zinc/76/81/48/364768148.db2.gz OUPGDOBPEXOGQM-KBPBESRZSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC2(CCC2)O1 ZINC000335464292 364768152 /nfs/dbraw/zinc/76/81/52/364768152.db2.gz OUPGDOBPEXOGQM-KBPBESRZSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC2(CCC2)O1 ZINC000335464292 364768153 /nfs/dbraw/zinc/76/81/53/364768153.db2.gz OUPGDOBPEXOGQM-KBPBESRZSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CC2(CCC2)O1 ZINC000335464292 364768157 /nfs/dbraw/zinc/76/81/57/364768157.db2.gz OUPGDOBPEXOGQM-KBPBESRZSA-N 2 1 252.402 2.114 20 0 CEADMP Oc1cc(F)cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335636045 212352097 /nfs/dbraw/zinc/35/20/97/212352097.db2.gz UKSZHIALEAKCNI-KGLIPLIRSA-N 2 1 278.371 2.353 20 0 CEADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+](C)C(C)C)CC(C)C ZINC000112914929 364855867 /nfs/dbraw/zinc/85/58/67/364855867.db2.gz NKCBCEWULJFUQO-HNNXBMFYSA-N 2 1 285.476 2.199 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335631975 212345138 /nfs/dbraw/zinc/34/51/38/212345138.db2.gz GCHDQIBINIUXBD-OLZOCXBDSA-N 2 1 265.426 2.273 20 0 CEADMP C[N@H+](Cc1cc2ccccc2[nH]c1=O)C[C@H]1CCC[NH+](C)C1 ZINC000118843499 365184735 /nfs/dbraw/zinc/18/47/35/365184735.db2.gz HZITXXNAVZLLTB-AWEZNQCLSA-N 2 1 299.418 2.302 20 0 CEADMP C[NH+](Cc1cc2ccccc2[nH]c1=O)C[C@H]1CCC[N@H+](C)C1 ZINC000118843499 365184740 /nfs/dbraw/zinc/18/47/40/365184740.db2.gz HZITXXNAVZLLTB-AWEZNQCLSA-N 2 1 299.418 2.302 20 0 CEADMP C[NH+](Cc1cc2ccccc2[nH]c1=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843499 365184744 /nfs/dbraw/zinc/18/47/44/365184744.db2.gz HZITXXNAVZLLTB-AWEZNQCLSA-N 2 1 299.418 2.302 20 0 CEADMP CC(C)C[N@@H+](CCOCC[NH3+])CCc1ccccc1 ZINC000357093268 370805511 /nfs/dbraw/zinc/80/55/11/370805511.db2.gz XTWVSGOENQCMDC-UHFFFAOYSA-N 2 1 264.413 2.162 20 0 CEADMP CC[NH+](CC)CCN1CC[N@@H+](C)CC12CCCCC2 ZINC000119703311 365313504 /nfs/dbraw/zinc/31/35/04/365313504.db2.gz NVWIGPVMGMDTHR-UHFFFAOYSA-N 2 1 267.461 2.279 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]C2CC[NH+](CCCOC)CC2)cn1 ZINC000159151039 366881974 /nfs/dbraw/zinc/88/19/74/366881974.db2.gz MHEGQCYGRLBMLE-CQSZACIVSA-N 2 1 294.443 2.055 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1 ZINC000582130059 366868237 /nfs/dbraw/zinc/86/82/37/366868237.db2.gz OZDNZLYVLBXTNW-ZWKOTPCHSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000582130059 366868241 /nfs/dbraw/zinc/86/82/41/366868241.db2.gz OZDNZLYVLBXTNW-ZWKOTPCHSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000582130059 366868244 /nfs/dbraw/zinc/86/82/44/366868244.db2.gz OZDNZLYVLBXTNW-ZWKOTPCHSA-N 2 1 290.451 2.396 20 0 CEADMP C[C@H]1OCC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000119919638 365344685 /nfs/dbraw/zinc/34/46/85/365344685.db2.gz UNQOLOKSHNJYNB-ZBFHGGJFSA-N 2 1 262.397 2.276 20 0 CEADMP C[C@H]1C[C@@H](CN2CCC3(CCC[N@H+]3C)CC2)CCO1 ZINC000336092749 365397410 /nfs/dbraw/zinc/39/74/10/365397410.db2.gz JHMGPSNQSJSVAQ-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]1C[C@@H](C[NH+]2CCC3(CCC[N@@H+]3C)CC2)CCO1 ZINC000336092749 365397416 /nfs/dbraw/zinc/39/74/16/365397416.db2.gz JHMGPSNQSJSVAQ-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]1C[C@@H](C[NH+]2CCC3(CCC[N@H+]3C)CC2)CCO1 ZINC000336092749 365397422 /nfs/dbraw/zinc/39/74/22/365397422.db2.gz JHMGPSNQSJSVAQ-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP C(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C[NH+]1CCCC1 ZINC000120589013 365446021 /nfs/dbraw/zinc/44/60/21/365446021.db2.gz SRXYDBJEFRKJIL-SJLPKXTDSA-N 2 1 291.483 2.421 20 0 CEADMP C[C@H]([NH3+])C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000336170670 365508468 /nfs/dbraw/zinc/50/84/68/365508468.db2.gz VVMRVIMYSYMUOF-NSHDSACASA-N 2 1 258.369 2.090 20 0 CEADMP COC(C)(C)[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000340490191 366905737 /nfs/dbraw/zinc/90/57/37/366905737.db2.gz RRKGQJKCNNCVHW-LBPRGKRZSA-N 2 1 253.390 2.375 20 0 CEADMP C[NH2+][C@@H]1CCC[N@H+](C[C@@H](C)CC2CCOCC2)C1 ZINC000340671374 366978775 /nfs/dbraw/zinc/97/87/75/366978775.db2.gz NBWMIYAVGVHAKJ-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H](C)CC2CCOCC2)C1 ZINC000340671374 366978777 /nfs/dbraw/zinc/97/87/77/366978777.db2.gz NBWMIYAVGVHAKJ-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP COc1cc(C[N@@H+](C)CCC[NH3+])ccc1OC(C)C ZINC000582964503 366981937 /nfs/dbraw/zinc/98/19/37/366981937.db2.gz ROUJMWSJFCCRJS-UHFFFAOYSA-N 2 1 266.385 2.263 20 0 CEADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H](CCO)c1ccccc1 ZINC000340714310 367000099 /nfs/dbraw/zinc/00/00/99/367000099.db2.gz VNQRDMCPDCCTOU-HZPDHXFCSA-N 2 1 262.397 2.042 20 0 CEADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H](CCO)c1ccccc1 ZINC000340714313 367000198 /nfs/dbraw/zinc/00/01/98/367000198.db2.gz VNQRDMCPDCCTOU-JKSUJKDBSA-N 2 1 262.397 2.042 20 0 CEADMP CCSCC[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000340865474 367065276 /nfs/dbraw/zinc/06/52/76/367065276.db2.gz DYMSQPINZVLHLQ-AWEZNQCLSA-N 2 1 274.474 2.172 20 0 CEADMP CCSCC[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000340865480 367065287 /nfs/dbraw/zinc/06/52/87/367065287.db2.gz DYMSQPINZVLHLQ-CQSZACIVSA-N 2 1 274.474 2.172 20 0 CEADMP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000584002421 367127668 /nfs/dbraw/zinc/12/76/68/367127668.db2.gz ZIWKCJYKOFQHGK-CYBMUJFWSA-N 2 1 290.398 2.247 20 0 CEADMP CCC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[NH+](C)C ZINC000162338862 367152743 /nfs/dbraw/zinc/15/27/43/367152743.db2.gz HCHBPMBLSJKORL-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)C[C@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000245706704 370860842 /nfs/dbraw/zinc/86/08/42/370860842.db2.gz YSYNZPPGAYBDIV-HZPDHXFCSA-N 2 1 267.461 2.134 20 0 CEADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1n1ccnc1 ZINC000245574011 370843271 /nfs/dbraw/zinc/84/32/71/370843271.db2.gz AKXPWNODMFHLED-OAGGEKHMSA-N 2 1 276.428 2.250 20 0 CEADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnc1 ZINC000245574011 370843275 /nfs/dbraw/zinc/84/32/75/370843275.db2.gz AKXPWNODMFHLED-OAGGEKHMSA-N 2 1 276.428 2.250 20 0 CEADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnc1 ZINC000245574011 370843279 /nfs/dbraw/zinc/84/32/79/370843279.db2.gz AKXPWNODMFHLED-OAGGEKHMSA-N 2 1 276.428 2.250 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000163237220 367225485 /nfs/dbraw/zinc/22/54/85/367225485.db2.gz ASSWSSMUFHKQKP-GXTWGEPZSA-N 2 1 255.365 2.404 20 0 CEADMP CCc1cc(NCCC2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000167223594 367337439 /nfs/dbraw/zinc/33/74/39/367337439.db2.gz KHIYXOMNIUNUMO-UHFFFAOYSA-N 2 1 262.401 2.491 20 0 CEADMP C1CC2(C1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)[C@@H]1CCO[C@@H]12 ZINC000631569920 367408796 /nfs/dbraw/zinc/40/87/96/367408796.db2.gz NVRBYADXCMKRCT-NPJQDHAYSA-N 2 1 276.424 2.160 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2ncccc21 ZINC000631620256 367444283 /nfs/dbraw/zinc/44/42/83/367444283.db2.gz BWNPFLRKVMZGFL-OAHLLOKOSA-N 2 1 256.353 2.025 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000342809892 367549641 /nfs/dbraw/zinc/54/96/41/367549641.db2.gz MNASLDLVYGHVBR-ZYHUDNBSSA-N 2 1 285.338 2.113 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000342809892 367549647 /nfs/dbraw/zinc/54/96/47/367549647.db2.gz MNASLDLVYGHVBR-ZYHUDNBSSA-N 2 1 285.338 2.113 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)CC[N@H+]1C ZINC000342813796 367551403 /nfs/dbraw/zinc/55/14/03/367551403.db2.gz UHDQPZXGTQBOBG-DOMZBBRYSA-N 2 1 272.396 2.178 20 0 CEADMP CC[NH+](CC)CCCN(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000342743248 367511069 /nfs/dbraw/zinc/51/10/69/367511069.db2.gz PQXOKUSAWUOSHL-OAHLLOKOSA-N 2 1 255.450 2.133 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc2c1CCOC2 ZINC000631829205 367567528 /nfs/dbraw/zinc/56/75/28/367567528.db2.gz KDXAYCGKEQTVLN-DOMZBBRYSA-N 2 1 260.381 2.071 20 0 CEADMP C[NH2+]CCC[NH+]1CCC(Cc2nccs2)CC1 ZINC000631837151 367577661 /nfs/dbraw/zinc/57/76/61/367577661.db2.gz NMLCVDYYJVBMMR-UHFFFAOYSA-N 2 1 253.415 2.007 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000631834190 367573967 /nfs/dbraw/zinc/57/39/67/367573967.db2.gz QYVBLCXAJGYHAM-LLVKDONJSA-N 2 1 268.323 2.159 20 0 CEADMP CCC1([NH+](C)C)CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000631865889 367600131 /nfs/dbraw/zinc/60/01/31/367600131.db2.gz QLGHFILYOVTJQH-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)cc2)cn1 ZINC000631889957 367610485 /nfs/dbraw/zinc/61/04/85/367610485.db2.gz NNIDZVHSMBKMLY-AEFFLSMTSA-N 2 1 296.418 2.446 20 0 CEADMP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1 ZINC000631888301 367610665 /nfs/dbraw/zinc/61/06/65/367610665.db2.gz UYNMAWXHJAMKGL-HOCLYGCPSA-N 2 1 287.407 2.089 20 0 CEADMP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1 ZINC000631888301 367610668 /nfs/dbraw/zinc/61/06/68/367610668.db2.gz UYNMAWXHJAMKGL-HOCLYGCPSA-N 2 1 287.407 2.089 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@H]3CCCOC3)C1)CCCC2 ZINC000681827339 541601521 /nfs/dbraw/zinc/60/15/21/541601521.db2.gz GONUAIQRBXNVNE-CABCVRRESA-N 2 1 289.423 2.496 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@H]3CCCOC3)C1)CCCC2 ZINC000681827339 541601525 /nfs/dbraw/zinc/60/15/25/541601525.db2.gz GONUAIQRBXNVNE-CABCVRRESA-N 2 1 289.423 2.496 20 0 CEADMP CC[NH+](CC)CCC[N@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000171931302 367641324 /nfs/dbraw/zinc/64/13/24/367641324.db2.gz WBOHJIWDBPHJNH-UHFFFAOYSA-N 2 1 291.439 2.210 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000171931302 367641334 /nfs/dbraw/zinc/64/13/34/367641334.db2.gz WBOHJIWDBPHJNH-UHFFFAOYSA-N 2 1 291.439 2.210 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000343042334 367643157 /nfs/dbraw/zinc/64/31/57/367643157.db2.gz AHHXMDIRUQPQGA-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1nccs1 ZINC000358043112 370882642 /nfs/dbraw/zinc/88/26/42/370882642.db2.gz HBPGPISPFGILNH-NWDGAFQWSA-N 2 1 253.415 2.006 20 0 CEADMP COc1ccc(OC)c([C@H](C)N[C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000358055692 370888123 /nfs/dbraw/zinc/88/81/23/370888123.db2.gz CCRMKVGJUXJXOK-SLEUVZQESA-N 2 1 278.396 2.305 20 0 CEADMP COc1ccc(OC)c([C@H](C)N[C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000358055692 370888127 /nfs/dbraw/zinc/88/81/27/370888127.db2.gz CCRMKVGJUXJXOK-SLEUVZQESA-N 2 1 278.396 2.305 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000245976328 370896239 /nfs/dbraw/zinc/89/62/39/370896239.db2.gz OUISGZFXRAQZHS-OAGGEKHMSA-N 2 1 278.444 2.372 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000245976328 370896241 /nfs/dbraw/zinc/89/62/41/370896241.db2.gz OUISGZFXRAQZHS-OAGGEKHMSA-N 2 1 278.444 2.372 20 0 CEADMP c1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[nH]nc1-c1cccnc1 ZINC000343612509 367916755 /nfs/dbraw/zinc/91/67/55/367916755.db2.gz IGWLWODSCABZPZ-ZBFHGGJFSA-N 2 1 297.406 2.188 20 0 CEADMP c1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[nH]nc1-c1cccnc1 ZINC000343612509 367916760 /nfs/dbraw/zinc/91/67/60/367916760.db2.gz IGWLWODSCABZPZ-ZBFHGGJFSA-N 2 1 297.406 2.188 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1 ZINC000173318281 367896511 /nfs/dbraw/zinc/89/65/11/367896511.db2.gz MTDZYHZHRUSLBU-AWEZNQCLSA-N 2 1 250.386 2.306 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000343589167 367902004 /nfs/dbraw/zinc/90/20/04/367902004.db2.gz FSYTXXHQJBVQIE-KBMXLJTQSA-N 2 1 268.445 2.105 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCCC(C)(C)C2)CC[N@H+]1C ZINC000682143449 541636383 /nfs/dbraw/zinc/63/63/83/541636383.db2.gz IFYYRRFBPAGTMU-IIAWOOMASA-N 2 1 268.445 2.390 20 0 CEADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc[nH]c3)cc2)CC1 ZINC000175699407 368165763 /nfs/dbraw/zinc/16/57/63/368165763.db2.gz KATQBFXEWPRDFD-UHFFFAOYSA-N 2 1 298.434 2.052 20 0 CEADMP CN(C)c1ccccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000345168557 368179242 /nfs/dbraw/zinc/17/92/42/368179242.db2.gz FTHQHIFQABZXFD-UHFFFAOYSA-N 2 1 259.397 2.104 20 0 CEADMP c1cn(CCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000246009289 370898112 /nfs/dbraw/zinc/89/81/12/370898112.db2.gz XYTJTFXTUJQIPK-RDJZCZTQSA-N 2 1 288.439 2.222 20 0 CEADMP c1cn(CCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000246009289 370898122 /nfs/dbraw/zinc/89/81/22/370898122.db2.gz XYTJTFXTUJQIPK-RDJZCZTQSA-N 2 1 288.439 2.222 20 0 CEADMP c1cn(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000246009289 370898128 /nfs/dbraw/zinc/89/81/28/370898128.db2.gz XYTJTFXTUJQIPK-RDJZCZTQSA-N 2 1 288.439 2.222 20 0 CEADMP c1cn(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000246009289 370898133 /nfs/dbraw/zinc/89/81/33/370898133.db2.gz XYTJTFXTUJQIPK-RDJZCZTQSA-N 2 1 288.439 2.222 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCSCC1 ZINC000187205449 296118249 /nfs/dbraw/zinc/11/82/49/296118249.db2.gz IABGWTYASJVRTA-CYBMUJFWSA-N 2 1 286.485 2.219 20 0 CEADMP CC(C)=CCC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000346091284 368541510 /nfs/dbraw/zinc/54/15/10/368541510.db2.gz XOJJAOBYRJPFSG-JKSUJKDBSA-N 2 1 295.471 2.298 20 0 CEADMP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000634124852 368547817 /nfs/dbraw/zinc/54/78/17/368547817.db2.gz NDZLMYBKPJLNBK-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CCOC(=O)C[C@H](C)[N@@H+](C)CCCCn1ccnc1C ZINC000182627299 368573030 /nfs/dbraw/zinc/57/30/30/368573030.db2.gz AUQCGTWPPNQXSA-ZDUSSCGKSA-N 2 1 281.400 2.245 20 0 CEADMP CCOC(=O)C[C@H](C)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000182627299 368573035 /nfs/dbraw/zinc/57/30/35/368573035.db2.gz AUQCGTWPPNQXSA-ZDUSSCGKSA-N 2 1 281.400 2.245 20 0 CEADMP CCOC(=O)C[C@H](C)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000182627299 368573037 /nfs/dbraw/zinc/57/30/37/368573037.db2.gz AUQCGTWPPNQXSA-ZDUSSCGKSA-N 2 1 281.400 2.245 20 0 CEADMP CCOC(=O)C[C@@H](C)[N@@H+](C)CCCCn1ccnc1C ZINC000182627283 368573187 /nfs/dbraw/zinc/57/31/87/368573187.db2.gz AUQCGTWPPNQXSA-CYBMUJFWSA-N 2 1 281.400 2.245 20 0 CEADMP CCOC(=O)C[C@@H](C)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000182627283 368573191 /nfs/dbraw/zinc/57/31/91/368573191.db2.gz AUQCGTWPPNQXSA-CYBMUJFWSA-N 2 1 281.400 2.245 20 0 CEADMP CCOC(=O)C[C@@H](C)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000182627283 368573194 /nfs/dbraw/zinc/57/31/94/368573194.db2.gz AUQCGTWPPNQXSA-CYBMUJFWSA-N 2 1 281.400 2.245 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000182646640 368574894 /nfs/dbraw/zinc/57/48/94/368574894.db2.gz NYKSSNPMAQPDNE-OLZOCXBDSA-N 2 1 270.417 2.038 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C[C@H]1C ZINC000346343899 368644570 /nfs/dbraw/zinc/64/45/70/368644570.db2.gz TWHBGTHXLXPPTG-QXSJWSMHSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C[C@H]1C ZINC000346343899 368644573 /nfs/dbraw/zinc/64/45/73/368644573.db2.gz TWHBGTHXLXPPTG-QXSJWSMHSA-N 2 1 295.471 2.190 20 0 CEADMP CCN(CCn1ccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183757915 368648152 /nfs/dbraw/zinc/64/81/52/368648152.db2.gz KWXXJUMVHRYJMH-SFHVURJKSA-N 2 1 298.434 2.480 20 0 CEADMP CCN(CCn1ccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183757915 368648159 /nfs/dbraw/zinc/64/81/59/368648159.db2.gz KWXXJUMVHRYJMH-SFHVURJKSA-N 2 1 298.434 2.480 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1cnccn1 ZINC000184682172 368710830 /nfs/dbraw/zinc/71/08/30/368710830.db2.gz QSLOQUIUOYCODY-GFCCVEGCSA-N 2 1 259.357 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1cnccn1 ZINC000184682172 368710833 /nfs/dbraw/zinc/71/08/33/368710833.db2.gz QSLOQUIUOYCODY-GFCCVEGCSA-N 2 1 259.357 2.065 20 0 CEADMP CC1(C)CC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000346437545 368673637 /nfs/dbraw/zinc/67/36/37/368673637.db2.gz GGLVTRFRTVQMJE-ZDUSSCGKSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC(C)(C)CC(C)(C)C2)C1 ZINC000358130549 370916890 /nfs/dbraw/zinc/91/68/90/370916890.db2.gz FOTRAZYWACWNJE-INIZCTEOSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CC(C)(C)CC(C)(C)C2)C1 ZINC000358130549 370916893 /nfs/dbraw/zinc/91/68/93/370916893.db2.gz FOTRAZYWACWNJE-INIZCTEOSA-N 2 1 268.445 2.248 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000185193214 368764473 /nfs/dbraw/zinc/76/44/73/368764473.db2.gz MTFPDDKJZZVVHQ-CYBMUJFWSA-N 2 1 296.377 2.354 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C1(C)C ZINC000185190491 368764732 /nfs/dbraw/zinc/76/47/32/368764732.db2.gz PKPBOSPRFRMXLH-KGLIPLIRSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000346676815 368766026 /nfs/dbraw/zinc/76/60/26/368766026.db2.gz KPNOKUWPUIALMI-VXGBXAGGSA-N 2 1 276.409 2.103 20 0 CEADMP COCCCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000346693616 368776357 /nfs/dbraw/zinc/77/63/57/368776357.db2.gz OHNHOYNHPVDVPV-GDBMZVCRSA-N 2 1 292.423 2.271 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000346639387 368747049 /nfs/dbraw/zinc/74/70/49/368747049.db2.gz KDQLPYYNEKSSGH-LBPRGKRZSA-N 2 1 292.349 2.251 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000346639387 368747050 /nfs/dbraw/zinc/74/70/50/368747050.db2.gz KDQLPYYNEKSSGH-LBPRGKRZSA-N 2 1 292.349 2.251 20 0 CEADMP CCOCc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000346646451 368750066 /nfs/dbraw/zinc/75/00/66/368750066.db2.gz NZZNHQXEMMTESH-HIFRSBDPSA-N 2 1 292.423 2.401 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000346647501 368750089 /nfs/dbraw/zinc/75/00/89/368750089.db2.gz AQWCXOSNEPVHLK-NEPJUHHUSA-N 2 1 288.370 2.385 20 0 CEADMP CCC[C@]1(COC)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261954889 284083364 /nfs/dbraw/zinc/08/33/64/284083364.db2.gz OLMDQHYFCAYGOG-OAHLLOKOSA-N 2 1 254.418 2.267 20 0 CEADMP CN(Cc1cccc2ncccc12)[C@H](C[NH3+])C1CC1 ZINC000634688547 368816453 /nfs/dbraw/zinc/81/64/53/368816453.db2.gz VWRQKAWOGJVKIT-MRXNPFEDSA-N 2 1 255.365 2.404 20 0 CEADMP C[N@H+](Cc1cccc2ncccc12)[C@H](C[NH3+])C1CC1 ZINC000634688547 368816456 /nfs/dbraw/zinc/81/64/56/368816456.db2.gz VWRQKAWOGJVKIT-MRXNPFEDSA-N 2 1 255.365 2.404 20 0 CEADMP C[N@@H+](Cc1cccc2ncccc12)[C@H](C[NH3+])C1CC1 ZINC000634688547 368816460 /nfs/dbraw/zinc/81/64/60/368816460.db2.gz VWRQKAWOGJVKIT-MRXNPFEDSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634644421 368792824 /nfs/dbraw/zinc/79/28/24/368792824.db2.gz VCRJTGSNSOFNEP-CRAIPNDOSA-N 2 1 288.435 2.259 20 0 CEADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634644421 368792829 /nfs/dbraw/zinc/79/28/29/368792829.db2.gz VCRJTGSNSOFNEP-CRAIPNDOSA-N 2 1 288.435 2.259 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CCO[C@H](C(F)F)CC1 ZINC000634751848 368862817 /nfs/dbraw/zinc/86/28/17/368862817.db2.gz YPANXKXVIKNKIF-OLZOCXBDSA-N 2 1 276.371 2.217 20 0 CEADMP Cc1[nH]c2nc[nH+]c(NCCC[NH2+]C3CC3)c2c1C ZINC000634811563 368900488 /nfs/dbraw/zinc/90/04/88/368900488.db2.gz JLNHWSVHTRZDEO-UHFFFAOYSA-N 2 1 259.357 2.129 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000348001484 368853070 /nfs/dbraw/zinc/85/30/70/368853070.db2.gz LJVUYORIFRIPEA-JKSUJKDBSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000348001484 368853075 /nfs/dbraw/zinc/85/30/75/368853075.db2.gz LJVUYORIFRIPEA-JKSUJKDBSA-N 2 1 297.487 2.201 20 0 CEADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634961325 368996650 /nfs/dbraw/zinc/99/66/50/368996650.db2.gz RIBDJUQWHXVDMO-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634961325 368996654 /nfs/dbraw/zinc/99/66/54/368996654.db2.gz RIBDJUQWHXVDMO-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CC12CC(C1)C[NH2+]2 ZINC000634993715 369022344 /nfs/dbraw/zinc/02/23/44/369022344.db2.gz CXUCHVIHMRAGGB-FDCMFXBMSA-N 2 1 299.462 2.333 20 0 CEADMP CC(C)Cc1ncc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000634999525 369033318 /nfs/dbraw/zinc/03/33/18/369033318.db2.gz VVXWTVYIKYLACT-VXGBXAGGSA-N 2 1 267.442 2.368 20 0 CEADMP CC(C)Cc1ncc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000634999525 369033324 /nfs/dbraw/zinc/03/33/24/369033324.db2.gz VVXWTVYIKYLACT-VXGBXAGGSA-N 2 1 267.442 2.368 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H](C)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000635010937 369048567 /nfs/dbraw/zinc/04/85/67/369048567.db2.gz BWEXRPWHCLZYEW-NJAFHUGGSA-N 2 1 287.451 2.299 20 0 CEADMP C[NH+](C)Cc1ccccc1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635264426 369120944 /nfs/dbraw/zinc/12/09/44/369120944.db2.gz NGPXUSONUBYYCN-CYBMUJFWSA-N 2 1 275.396 2.029 20 0 CEADMP C[C@@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[NH+](C)C ZINC000348695114 369123343 /nfs/dbraw/zinc/12/33/43/369123343.db2.gz IZXSROQBWHERRZ-SMDDNHRTSA-N 2 1 297.830 2.009 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000348755095 369142561 /nfs/dbraw/zinc/14/25/61/369142561.db2.gz FWCCPMASUUSDBD-JSGCOSHPSA-N 2 1 250.361 2.427 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@@H]12 ZINC000348751483 369142626 /nfs/dbraw/zinc/14/26/26/369142626.db2.gz RSFDDPFZCBEIFT-NUEKZKHPSA-N 2 1 262.372 2.427 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCc1cccc(F)c1 ZINC000348756337 369144038 /nfs/dbraw/zinc/14/40/38/369144038.db2.gz NNMISWHXKNRJHI-JSGCOSHPSA-N 2 1 250.361 2.427 20 0 CEADMP COC[C@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)C1CCOCC1 ZINC000187746966 369217181 /nfs/dbraw/zinc/21/71/81/369217181.db2.gz OKGUULWOMRNENH-DLBZAZTESA-N 2 1 298.471 2.138 20 0 CEADMP COC[C@H](C)C[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000187705474 369207351 /nfs/dbraw/zinc/20/73/51/369207351.db2.gz WMSLNXKKLWIDEX-UONOGXRCSA-N 2 1 256.434 2.369 20 0 CEADMP COC[C@H](C)C[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000187705474 369207356 /nfs/dbraw/zinc/20/73/56/369207356.db2.gz WMSLNXKKLWIDEX-UONOGXRCSA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H](C)C2)CC1 ZINC000187968258 369264434 /nfs/dbraw/zinc/26/44/34/369264434.db2.gz DELHKBBOWQNYKB-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2COc3ccccc3O2)CC1 ZINC000683228064 541777837 /nfs/dbraw/zinc/77/78/37/541777837.db2.gz QNVXEYFLRRPKHY-CABCVRRESA-N 2 1 290.407 2.243 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2COc3ccccc3O2)CC1 ZINC000683228064 541777841 /nfs/dbraw/zinc/77/78/41/541777841.db2.gz QNVXEYFLRRPKHY-CABCVRRESA-N 2 1 290.407 2.243 20 0 CEADMP CSC1(C[N@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000349380102 369314620 /nfs/dbraw/zinc/31/46/20/369314620.db2.gz DKOSGBUGUWJHKQ-UHFFFAOYSA-N 2 1 253.415 2.409 20 0 CEADMP CSC1(C[N@@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000349380102 369314621 /nfs/dbraw/zinc/31/46/21/369314621.db2.gz DKOSGBUGUWJHKQ-UHFFFAOYSA-N 2 1 253.415 2.409 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000349964924 369468966 /nfs/dbraw/zinc/46/89/66/369468966.db2.gz FATBYFZCDIFUKC-FVQBIDKESA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000349964924 369468971 /nfs/dbraw/zinc/46/89/71/369468971.db2.gz FATBYFZCDIFUKC-FVQBIDKESA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358205579 370951395 /nfs/dbraw/zinc/95/13/95/370951395.db2.gz QWXSYZSCZUYAEF-FVQBIDKESA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCCCC1 ZINC000358223131 370957591 /nfs/dbraw/zinc/95/75/91/370957591.db2.gz ABKRLNYBQDBYFZ-ZFWWWQNUSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCCCC1 ZINC000358223131 370957597 /nfs/dbraw/zinc/95/75/97/370957597.db2.gz ABKRLNYBQDBYFZ-ZFWWWQNUSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H](C(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000246423706 370958724 /nfs/dbraw/zinc/95/87/24/370958724.db2.gz MIFMZHWMABAOTL-RBSFLKMASA-N 2 1 295.471 2.238 20 0 CEADMP CCc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)s1 ZINC000358265328 370982686 /nfs/dbraw/zinc/98/26/86/370982686.db2.gz ZPPYEOULGHMWSM-SMDDNHRTSA-N 2 1 268.426 2.028 20 0 CEADMP CCc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC000358265328 370982692 /nfs/dbraw/zinc/98/26/92/370982692.db2.gz ZPPYEOULGHMWSM-SMDDNHRTSA-N 2 1 268.426 2.028 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](COC)CC(C)C)C1 ZINC000358261489 370979932 /nfs/dbraw/zinc/97/99/32/370979932.db2.gz YJJINDSCVRMSPX-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000358264647 370981819 /nfs/dbraw/zinc/98/18/19/370981819.db2.gz YQKVASLWSDDPJH-BBWFWOEESA-N 2 1 292.398 2.118 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000358264647 370981821 /nfs/dbraw/zinc/98/18/21/370981821.db2.gz YQKVASLWSDDPJH-BBWFWOEESA-N 2 1 292.398 2.118 20 0 CEADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000352400022 369711058 /nfs/dbraw/zinc/71/10/58/369711058.db2.gz OITCAVVDRRSGBB-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192663347 369839635 /nfs/dbraw/zinc/83/96/35/369839635.db2.gz KNDNHRHJZGOVSH-QGZVFWFLSA-N 2 1 291.439 2.491 20 0 CEADMP COCCOc1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000352533839 369775996 /nfs/dbraw/zinc/77/59/96/369775996.db2.gz ACRRWWIZZZQNIF-INIZCTEOSA-N 2 1 292.423 2.415 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352736140 369860505 /nfs/dbraw/zinc/86/05/05/369860505.db2.gz FODPHPOTIHMIGC-WDEREUQCSA-N 2 1 253.415 2.483 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)NCc1ncc(C[NH+](C)C)s1 ZINC000353074879 370008630 /nfs/dbraw/zinc/00/86/30/370008630.db2.gz WMGYCLSMRBMLJS-GFCCVEGCSA-N 2 1 284.473 2.023 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NCc1ncc(C[NH+](C)C)s1 ZINC000353074879 370008632 /nfs/dbraw/zinc/00/86/32/370008632.db2.gz WMGYCLSMRBMLJS-GFCCVEGCSA-N 2 1 284.473 2.023 20 0 CEADMP CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353077192 370009893 /nfs/dbraw/zinc/00/98/93/370009893.db2.gz DOVSKMXSAJCQHD-WFASDCNBSA-N 2 1 265.401 2.034 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1CNCc1c[nH+]ccc1N(C)C ZINC000353133710 370032286 /nfs/dbraw/zinc/03/22/86/370032286.db2.gz FVOMUVDATRZPIK-HNNXBMFYSA-N 2 1 276.428 2.112 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNCc1c[nH+]ccc1N(C)C ZINC000353133710 370032291 /nfs/dbraw/zinc/03/22/91/370032291.db2.gz FVOMUVDATRZPIK-HNNXBMFYSA-N 2 1 276.428 2.112 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000353152643 370042436 /nfs/dbraw/zinc/04/24/36/370042436.db2.gz LVUZIQZDUSJLOR-CHWSQXEVSA-N 2 1 263.385 2.052 20 0 CEADMP CCN(C(=O)[C@H](C)[NH3+])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000353209499 370074005 /nfs/dbraw/zinc/07/40/05/370074005.db2.gz WEQPAGPCIQENBD-LZWOXQAQSA-N 2 1 289.423 2.018 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353520436 370114623 /nfs/dbraw/zinc/11/46/23/370114623.db2.gz OSPMTOICCURIKS-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353520436 370114626 /nfs/dbraw/zinc/11/46/26/370114626.db2.gz OSPMTOICCURIKS-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353520436 370114631 /nfs/dbraw/zinc/11/46/31/370114631.db2.gz OSPMTOICCURIKS-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1(C(=O)OC)CCC1 ZINC000353545323 370116411 /nfs/dbraw/zinc/11/64/11/370116411.db2.gz SHTGBEPQRSMDEQ-UKRRQHHQSA-N 2 1 294.439 2.182 20 0 CEADMP COc1cc(C)[nH+]c(CN(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000214087820 370170300 /nfs/dbraw/zinc/17/03/00/370170300.db2.gz WMBZHSKVCMGFSQ-HNNXBMFYSA-N 2 1 265.401 2.204 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353631574 370119496 /nfs/dbraw/zinc/11/94/96/370119496.db2.gz MBGVVZZDODHLRP-DGADGQDISA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353628838 370119970 /nfs/dbraw/zinc/11/99/70/370119970.db2.gz CCYWUSBMFDXFQL-YJNKXOJESA-N 2 1 268.445 2.246 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000354181221 370247759 /nfs/dbraw/zinc/24/77/59/370247759.db2.gz LCXGXHXVZRUFJB-SOUVJXGZSA-N 2 1 254.418 2.121 20 0 CEADMP CCC[C@H](C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1)OC ZINC000638122571 370317973 /nfs/dbraw/zinc/31/79/73/370317973.db2.gz KQWXZDFLERWNFP-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223196806 370260837 /nfs/dbraw/zinc/26/08/37/370260837.db2.gz YQJIOYALLCNYDH-VNHYZAJKSA-N 2 1 262.397 2.396 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223196806 370260842 /nfs/dbraw/zinc/26/08/42/370260842.db2.gz YQJIOYALLCNYDH-VNHYZAJKSA-N 2 1 262.397 2.396 20 0 CEADMP CC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000638051393 370268236 /nfs/dbraw/zinc/26/82/36/370268236.db2.gz HCJBNJDMWVYHIL-RISCZKNCSA-N 2 1 297.830 2.057 20 0 CEADMP CO[C@@](C)(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000638112070 370308969 /nfs/dbraw/zinc/30/89/69/370308969.db2.gz JOGYAMGJSLYBQY-HOCLYGCPSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000226928554 370353598 /nfs/dbraw/zinc/35/35/98/370353598.db2.gz LSCOBCHXSPLZAH-CMPLNLGQSA-N 2 1 253.415 2.053 20 0 CEADMP CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000354509848 370391718 /nfs/dbraw/zinc/39/17/18/370391718.db2.gz LGTUTKDMGLNKLG-ZIAGYGMSSA-N 2 1 264.417 2.426 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC1CCSCC1 ZINC000638184210 370362942 /nfs/dbraw/zinc/36/29/42/370362942.db2.gz XZCMOWSVMJXSTE-PMPSAXMXSA-N 2 1 298.496 2.313 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@](C)(OC)C2CC2)C1 ZINC000638136366 370331105 /nfs/dbraw/zinc/33/11/05/370331105.db2.gz YJMVXNUKMIMRIV-DLBZAZTESA-N 2 1 298.471 2.234 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@](C)(OC)C2CC2)C1 ZINC000638136376 370331228 /nfs/dbraw/zinc/33/12/28/370331228.db2.gz YJMVXNUKMIMRIV-IRXDYDNUSA-N 2 1 298.471 2.234 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2C[C@H](N)c3ccccc32)CC1 ZINC000226344958 370337060 /nfs/dbraw/zinc/33/70/60/370337060.db2.gz FMLLEGAADIVWLS-JKSUJKDBSA-N 2 1 273.424 2.453 20 0 CEADMP C[N@@H+](CCOc1ccccc1F)C[C@H]1CCC[NH2+]C1 ZINC000226435250 370343147 /nfs/dbraw/zinc/34/31/47/370343147.db2.gz VUZIBTDSBGDATN-ZDUSSCGKSA-N 2 1 266.360 2.136 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000229623072 370428918 /nfs/dbraw/zinc/42/89/18/370428918.db2.gz RYWPMKUWNYMUOP-YIYPIFLZSA-N 2 1 252.402 2.016 20 0 CEADMP CC(C)n1nccc1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000354514873 370393961 /nfs/dbraw/zinc/39/39/61/370393961.db2.gz SFQUPCYQPNPSFU-CHWSQXEVSA-N 2 1 250.390 2.036 20 0 CEADMP C[NH+](C)C1(C[NH2+]C2CC(n3cccn3)C2)CCCCC1 ZINC000638281074 370418571 /nfs/dbraw/zinc/41/85/71/370418571.db2.gz OPVDWHQWGSULMX-UHFFFAOYSA-N 2 1 276.428 2.441 20 0 CEADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000638321078 370444006 /nfs/dbraw/zinc/44/40/06/370444006.db2.gz UVPIPVHJLUMTQW-UHFFFAOYSA-N 2 1 280.387 2.151 20 0 CEADMP CC[C@H](C[NH2+][C@@H](C)Cc1ccnc(OC)c1)[NH+]1CCCC1 ZINC000638354840 370464649 /nfs/dbraw/zinc/46/46/49/370464649.db2.gz VTWDLRREUXLVJT-GOEBONIOSA-N 2 1 291.439 2.485 20 0 CEADMP C[C@@H](O)CCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354711987 370475917 /nfs/dbraw/zinc/47/59/17/370475917.db2.gz QHHOAQFCHXIMAG-OAHLLOKOSA-N 2 1 291.439 2.391 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC000638409363 370508313 /nfs/dbraw/zinc/50/83/13/370508313.db2.gz KNCRYLOODHTXBG-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355202659 370547631 /nfs/dbraw/zinc/54/76/31/370547631.db2.gz POYPSMPATUMUFV-WMZOPIPTSA-N 2 1 298.434 2.383 20 0 CEADMP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000638437593 370530651 /nfs/dbraw/zinc/53/06/51/370530651.db2.gz OXWGSUHNJLRMMM-GJZGRUSLSA-N 2 1 295.471 2.288 20 0 CEADMP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000638437593 370530655 /nfs/dbraw/zinc/53/06/55/370530655.db2.gz OXWGSUHNJLRMMM-GJZGRUSLSA-N 2 1 295.471 2.288 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CCSc2ccccc2)C1 ZINC000235707221 370574470 /nfs/dbraw/zinc/57/44/70/370574470.db2.gz UPHPSJLCYQXSHI-CQSZACIVSA-N 2 1 250.411 2.449 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000236750003 370619424 /nfs/dbraw/zinc/61/94/24/370619424.db2.gz QGHBDINKMQPYME-BZUAXINKSA-N 2 1 295.471 2.275 20 0 CEADMP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)sn1 ZINC000639174764 371049826 /nfs/dbraw/zinc/04/98/26/371049826.db2.gz FWGYVRCYIRJIQQ-UHFFFAOYSA-N 2 1 264.398 2.479 20 0 CEADMP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)sn1 ZINC000639174764 371049832 /nfs/dbraw/zinc/04/98/32/371049832.db2.gz FWGYVRCYIRJIQQ-UHFFFAOYSA-N 2 1 264.398 2.479 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ncccc23)[C@@H](C)C1 ZINC000358344020 371025159 /nfs/dbraw/zinc/02/51/59/371025159.db2.gz IHUCWNOVEDHIRU-BBRMVZONSA-N 2 1 286.423 2.425 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000246955060 371036682 /nfs/dbraw/zinc/03/66/82/371036682.db2.gz IGUDNHZGGTZKSL-HOTGVXAUSA-N 2 1 267.461 2.182 20 0 CEADMP CO[C@@](C)(C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000639163469 371036708 /nfs/dbraw/zinc/03/67/08/371036708.db2.gz VSVAPTBCQCXQPE-QXULXFAOSA-N 2 1 266.429 2.359 20 0 CEADMP CO[C@@](C)(C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000639163469 371036712 /nfs/dbraw/zinc/03/67/12/371036712.db2.gz VSVAPTBCQCXQPE-QXULXFAOSA-N 2 1 266.429 2.359 20 0 CEADMP CO[C@@](C)(C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000639163469 371036716 /nfs/dbraw/zinc/03/67/16/371036716.db2.gz VSVAPTBCQCXQPE-QXULXFAOSA-N 2 1 266.429 2.359 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccn(C(F)F)c1=O ZINC000639177441 371055590 /nfs/dbraw/zinc/05/55/90/371055590.db2.gz DHSUZAPSQMHTHO-AAEUAGOBSA-N 2 1 299.365 2.015 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccn(C(F)F)c1=O ZINC000639177441 371055593 /nfs/dbraw/zinc/05/55/93/371055593.db2.gz DHSUZAPSQMHTHO-AAEUAGOBSA-N 2 1 299.365 2.015 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccn(C(F)F)c1=O ZINC000639177441 371055597 /nfs/dbraw/zinc/05/55/97/371055597.db2.gz DHSUZAPSQMHTHO-AAEUAGOBSA-N 2 1 299.365 2.015 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccn(C(F)F)c1=O ZINC000639177441 371055600 /nfs/dbraw/zinc/05/56/00/371055600.db2.gz DHSUZAPSQMHTHO-AAEUAGOBSA-N 2 1 299.365 2.015 20 0 CEADMP CCOC1CC(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000639177540 371055897 /nfs/dbraw/zinc/05/58/97/371055897.db2.gz FDRQTNZRYVBSOJ-URGYJCLVSA-N 2 1 254.418 2.074 20 0 CEADMP CCOC1CC(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000639177540 371055905 /nfs/dbraw/zinc/05/59/05/371055905.db2.gz FDRQTNZRYVBSOJ-URGYJCLVSA-N 2 1 254.418 2.074 20 0 CEADMP CCOC1CC(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000639177540 371055910 /nfs/dbraw/zinc/05/59/10/371055910.db2.gz FDRQTNZRYVBSOJ-URGYJCLVSA-N 2 1 254.418 2.074 20 0 CEADMP CCOC1CC(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000639177540 371055931 /nfs/dbraw/zinc/05/59/31/371055931.db2.gz FDRQTNZRYVBSOJ-URGYJCLVSA-N 2 1 254.418 2.074 20 0 CEADMP CCOC1CC(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000639177542 371056152 /nfs/dbraw/zinc/05/61/52/371056152.db2.gz FDRQTNZRYVBSOJ-XSCHDIRWSA-N 2 1 254.418 2.074 20 0 CEADMP CCOC1CC(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000639177542 371056158 /nfs/dbraw/zinc/05/61/58/371056158.db2.gz FDRQTNZRYVBSOJ-XSCHDIRWSA-N 2 1 254.418 2.074 20 0 CEADMP CCOC1CC(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000639177542 371056162 /nfs/dbraw/zinc/05/61/62/371056162.db2.gz FDRQTNZRYVBSOJ-XSCHDIRWSA-N 2 1 254.418 2.074 20 0 CEADMP CCOC1CC(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000639177542 371056166 /nfs/dbraw/zinc/05/61/66/371056166.db2.gz FDRQTNZRYVBSOJ-XSCHDIRWSA-N 2 1 254.418 2.074 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000247060238 371058121 /nfs/dbraw/zinc/05/81/21/371058121.db2.gz NTLSILNSZMELGF-QXSJWSMHSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247060238 371058125 /nfs/dbraw/zinc/05/81/25/371058125.db2.gz NTLSILNSZMELGF-QXSJWSMHSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000247060238 371058130 /nfs/dbraw/zinc/05/81/30/371058130.db2.gz NTLSILNSZMELGF-QXSJWSMHSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000247060179 371058602 /nfs/dbraw/zinc/05/86/02/371058602.db2.gz NTLSILNSZMELGF-FPCVCCKLSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247060179 371058608 /nfs/dbraw/zinc/05/86/08/371058608.db2.gz NTLSILNSZMELGF-FPCVCCKLSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000247060179 371058611 /nfs/dbraw/zinc/05/86/11/371058611.db2.gz NTLSILNSZMELGF-FPCVCCKLSA-N 2 1 267.461 2.179 20 0 CEADMP COCC1(C[NH2+]CC[N@@H+]2CCCC2(C)C)CCC1 ZINC000639243747 371139911 /nfs/dbraw/zinc/13/99/11/371139911.db2.gz ZYNUEGOPTKGWNX-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP COCC1(C[NH2+]CC[N@H+]2CCCC2(C)C)CCC1 ZINC000639243747 371139913 /nfs/dbraw/zinc/13/99/13/371139913.db2.gz ZYNUEGOPTKGWNX-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP Fc1ccccc1OCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517106 371099986 /nfs/dbraw/zinc/09/99/86/371099986.db2.gz OWMARJXTRTXBMR-UHFFFAOYSA-N 2 1 278.371 2.280 20 0 CEADMP CC[C@@](C)(C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC)OC ZINC000639212177 371103332 /nfs/dbraw/zinc/10/33/32/371103332.db2.gz VSESGKUWCHXIDN-WFVVYAPDSA-N 2 1 298.471 2.375 20 0 CEADMP CC[C@@](C)(C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)OC ZINC000639212177 371103336 /nfs/dbraw/zinc/10/33/36/371103336.db2.gz VSESGKUWCHXIDN-WFVVYAPDSA-N 2 1 298.471 2.375 20 0 CEADMP CC[C@@](C)(C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)OC ZINC000639212177 371103342 /nfs/dbraw/zinc/10/33/42/371103342.db2.gz VSESGKUWCHXIDN-WFVVYAPDSA-N 2 1 298.471 2.375 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)[C@@H](C)C1 ZINC000248067899 371158652 /nfs/dbraw/zinc/15/86/52/371158652.db2.gz ZYOFEEAWCVQXNO-KKUMJFAQSA-N 2 1 279.428 2.202 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)[C@@H](C)C1 ZINC000248067899 371158657 /nfs/dbraw/zinc/15/86/57/371158657.db2.gz ZYOFEEAWCVQXNO-KKUMJFAQSA-N 2 1 279.428 2.202 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(CO)cc2)C1 ZINC000639257868 371158331 /nfs/dbraw/zinc/15/83/31/371158331.db2.gz SGGREZKOBNSOBD-HNNXBMFYSA-N 2 1 262.397 2.000 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639287779 371190047 /nfs/dbraw/zinc/19/00/47/371190047.db2.gz AHGBWLDVEVKXAL-LSDHHAIUSA-N 2 1 283.460 2.001 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccn1 ZINC000639346688 371259893 /nfs/dbraw/zinc/25/98/93/371259893.db2.gz IENJYSWUFIFYDJ-ZBFHGGJFSA-N 2 1 291.439 2.343 20 0 CEADMP c1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)sn1 ZINC000639337760 371248198 /nfs/dbraw/zinc/24/81/98/371248198.db2.gz PAKZIWMEWWKVBS-ZDUSSCGKSA-N 2 1 265.426 2.355 20 0 CEADMP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)sn1 ZINC000639337760 371248206 /nfs/dbraw/zinc/24/82/06/371248206.db2.gz PAKZIWMEWWKVBS-ZDUSSCGKSA-N 2 1 265.426 2.355 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCOC[C@H]1C ZINC000248831369 371251164 /nfs/dbraw/zinc/25/11/64/371251164.db2.gz FHSOMOXRSNFPGS-LEOABGAYSA-N 2 1 268.445 2.367 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCOC[C@H]1C ZINC000248831369 371251167 /nfs/dbraw/zinc/25/11/67/371251167.db2.gz FHSOMOXRSNFPGS-LEOABGAYSA-N 2 1 268.445 2.367 20 0 CEADMP COc1cc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000358968938 371285739 /nfs/dbraw/zinc/28/57/39/371285739.db2.gz ANGJZQBGSWILJY-LSDHHAIUSA-N 2 1 289.423 2.423 20 0 CEADMP COc1cc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000358968938 371285744 /nfs/dbraw/zinc/28/57/44/371285744.db2.gz ANGJZQBGSWILJY-LSDHHAIUSA-N 2 1 289.423 2.423 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000249055808 371287573 /nfs/dbraw/zinc/28/75/73/371287573.db2.gz YPIWXETYKNPINS-WTXIUTQJSA-N 2 1 265.445 2.076 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249055808 371287577 /nfs/dbraw/zinc/28/75/77/371287577.db2.gz YPIWXETYKNPINS-WTXIUTQJSA-N 2 1 265.445 2.076 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249055808 371287583 /nfs/dbraw/zinc/28/75/83/371287583.db2.gz YPIWXETYKNPINS-WTXIUTQJSA-N 2 1 265.445 2.076 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249055808 371287585 /nfs/dbraw/zinc/28/75/85/371287585.db2.gz YPIWXETYKNPINS-WTXIUTQJSA-N 2 1 265.445 2.076 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249055808 371287592 /nfs/dbraw/zinc/28/75/92/371287592.db2.gz YPIWXETYKNPINS-WTXIUTQJSA-N 2 1 265.445 2.076 20 0 CEADMP CCOC(=O)c1cnccc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000358919138 371266083 /nfs/dbraw/zinc/26/60/83/371266083.db2.gz ZLAFWWWVGWVIMJ-OAHLLOKOSA-N 2 1 291.395 2.035 20 0 CEADMP COc1cc(C)c(C[NH2+]CC2=CC[N@@H+](C)CC2)c(C)n1 ZINC000359000662 371298345 /nfs/dbraw/zinc/29/83/45/371298345.db2.gz ZXLXJOGECSXHLO-UHFFFAOYSA-N 2 1 275.396 2.059 20 0 CEADMP C[C@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000249635274 371349915 /nfs/dbraw/zinc/34/99/15/371349915.db2.gz WIQWQMLIPNXLHV-GJZGRUSLSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000639489411 371357797 /nfs/dbraw/zinc/35/77/97/371357797.db2.gz PJNCZCMNTKWUOQ-CQSZACIVSA-N 2 1 274.408 2.143 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000639494621 371360596 /nfs/dbraw/zinc/36/05/96/371360596.db2.gz BVKWTLKTXPYVLN-JYJNAYRXSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)COCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250560081 371386536 /nfs/dbraw/zinc/38/65/36/371386536.db2.gz HJZVCZWQNWJMEN-GJZGRUSLSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000639544336 371395109 /nfs/dbraw/zinc/39/51/09/371395109.db2.gz WILWHAPUMJLYER-IVSAIRAKSA-N 2 1 278.440 2.360 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000639544336 371395114 /nfs/dbraw/zinc/39/51/14/371395114.db2.gz WILWHAPUMJLYER-IVSAIRAKSA-N 2 1 278.440 2.360 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000639544336 371395118 /nfs/dbraw/zinc/39/51/18/371395118.db2.gz WILWHAPUMJLYER-IVSAIRAKSA-N 2 1 278.440 2.360 20 0 CEADMP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000251201341 371398638 /nfs/dbraw/zinc/39/86/38/371398638.db2.gz VJEOSIXYAGSBFX-MJBXVCDLSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000251201341 371398645 /nfs/dbraw/zinc/39/86/45/371398645.db2.gz VJEOSIXYAGSBFX-MJBXVCDLSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)O1 ZINC000251806840 371416564 /nfs/dbraw/zinc/41/65/64/371416564.db2.gz MFHQBEJLYFMSHF-TUVASFSCSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)O1 ZINC000251806840 371416569 /nfs/dbraw/zinc/41/65/69/371416569.db2.gz MFHQBEJLYFMSHF-TUVASFSCSA-N 2 1 252.402 2.160 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639509182 371371393 /nfs/dbraw/zinc/37/13/93/371371393.db2.gz YSXVAUXOESVQAH-CVEARBPZSA-N 2 1 298.471 2.234 20 0 CEADMP c1csc(N2CCC[N@H+](CCC3CC[NH2+]CC3)CC2)n1 ZINC000359220124 371381055 /nfs/dbraw/zinc/38/10/55/371381055.db2.gz NNFPWOJIAXULDQ-UHFFFAOYSA-N 2 1 294.468 2.045 20 0 CEADMP CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250402324 371383231 /nfs/dbraw/zinc/38/32/31/371383231.db2.gz LUQDWTCTWKUPPZ-JKSUJKDBSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[NH+](C)CC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000359333439 371433095 /nfs/dbraw/zinc/43/30/95/371433095.db2.gz QIRHHWPRFJQRME-IYBDPMFKSA-N 2 1 297.487 2.203 20 0 CEADMP CCC[NH+](C)CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000359333439 371433097 /nfs/dbraw/zinc/43/30/97/371433097.db2.gz QIRHHWPRFJQRME-IYBDPMFKSA-N 2 1 297.487 2.203 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC000252187930 371434606 /nfs/dbraw/zinc/43/46/06/371434606.db2.gz UOPKQQQVZOVUEJ-FIBILERRSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000252187930 371434612 /nfs/dbraw/zinc/43/46/12/371434612.db2.gz UOPKQQQVZOVUEJ-FIBILERRSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cncs1 ZINC000252715508 371473349 /nfs/dbraw/zinc/47/33/49/371473349.db2.gz VVCTUZHJVVGTKW-SRVKXCTJSA-N 2 1 251.399 2.421 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cncs1 ZINC000252715508 371473355 /nfs/dbraw/zinc/47/33/55/371473355.db2.gz VVCTUZHJVVGTKW-SRVKXCTJSA-N 2 1 251.399 2.421 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cncs1 ZINC000252715508 371473362 /nfs/dbraw/zinc/47/33/62/371473362.db2.gz VVCTUZHJVVGTKW-SRVKXCTJSA-N 2 1 251.399 2.421 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000252772256 371476634 /nfs/dbraw/zinc/47/66/34/371476634.db2.gz IUOPRKICFVYIPZ-STQMWFEESA-N 2 1 278.396 2.181 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000252780103 371478424 /nfs/dbraw/zinc/47/84/24/371478424.db2.gz QILNTDJMVLTCKG-GJZGRUSLSA-N 2 1 289.423 2.097 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000252780103 371478427 /nfs/dbraw/zinc/47/84/27/371478427.db2.gz QILNTDJMVLTCKG-GJZGRUSLSA-N 2 1 289.423 2.097 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000253192866 371502093 /nfs/dbraw/zinc/50/20/93/371502093.db2.gz NSVITCBQLHEVJT-XJKSGUPXSA-N 2 1 262.397 2.250 20 0 CEADMP Fc1cncc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639701835 371506986 /nfs/dbraw/zinc/50/69/86/371506986.db2.gz CLYKYXLMYAWZME-UHFFFAOYSA-N 2 1 286.354 2.328 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1CCc2sccc2C1 ZINC000360242923 371509172 /nfs/dbraw/zinc/50/91/72/371509172.db2.gz SCZZZTPXUOZPKG-DZGCQCFKSA-N 2 1 293.480 2.036 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1C ZINC000360885685 371538556 /nfs/dbraw/zinc/53/85/56/371538556.db2.gz BYFZHBAMWXPBQL-KFWWJZLASA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1C ZINC000360885685 371538563 /nfs/dbraw/zinc/53/85/63/371538563.db2.gz BYFZHBAMWXPBQL-KFWWJZLASA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1C ZINC000360885685 371538566 /nfs/dbraw/zinc/53/85/66/371538566.db2.gz BYFZHBAMWXPBQL-KFWWJZLASA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]1C[C@H](C)CN(CC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC000639755155 371547039 /nfs/dbraw/zinc/54/70/39/371547039.db2.gz GXLOZMRVBGTAOD-IRXDYDNUSA-N 2 1 293.499 2.382 20 0 CEADMP C[C@H]1C[C@H](C)CN(CC[N@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC000639755155 371547043 /nfs/dbraw/zinc/54/70/43/371547043.db2.gz GXLOZMRVBGTAOD-IRXDYDNUSA-N 2 1 293.499 2.382 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCc3ccccn3)C2)CC1 ZINC000639756596 371547189 /nfs/dbraw/zinc/54/71/89/371547189.db2.gz YAORQVBIBJACHT-UHFFFAOYSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ncc(C4CC4)o3)C2)CC1 ZINC000639758801 371548140 /nfs/dbraw/zinc/54/81/40/371548140.db2.gz WIVRRBUVDBKVRU-UHFFFAOYSA-N 2 1 275.396 2.470 20 0 CEADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000360933130 371549291 /nfs/dbraw/zinc/54/92/91/371549291.db2.gz JTTBRGMRGFWDHK-AIEDFZFUSA-N 2 1 254.418 2.262 20 0 CEADMP CC1(C)CO[C@@H](C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000639684205 371493012 /nfs/dbraw/zinc/49/30/12/371493012.db2.gz GHKQXUYQWRAKBJ-MRXNPFEDSA-N 2 1 289.423 2.409 20 0 CEADMP Cc1cc(C)n(CCC[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000336828934 213726343 /nfs/dbraw/zinc/72/63/43/213726343.db2.gz AUUWUNBNOAHQNJ-UHFFFAOYSA-N 2 1 276.428 2.106 20 0 CEADMP C1CC1[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000361026261 371605838 /nfs/dbraw/zinc/60/58/38/371605838.db2.gz SGEWYIIYGVKNSN-QXSJWSMHSA-N 2 1 264.413 2.160 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN[C@@](C)(CC)c1ccc(F)cc1 ZINC000639930192 371680449 /nfs/dbraw/zinc/68/04/49/371680449.db2.gz ZTTJREDXOGHYCY-CVEARBPZSA-N 2 1 282.403 2.353 20 0 CEADMP CCN(C)C[C@H](O)C[NH2+][C@@](C)(CC)c1ccc(F)cc1 ZINC000639930192 371680452 /nfs/dbraw/zinc/68/04/52/371680452.db2.gz ZTTJREDXOGHYCY-CVEARBPZSA-N 2 1 282.403 2.353 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(CC)c1ccc(F)cc1 ZINC000639930192 371680453 /nfs/dbraw/zinc/68/04/53/371680453.db2.gz ZTTJREDXOGHYCY-CVEARBPZSA-N 2 1 282.403 2.353 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(CC)c1ccc(F)cc1 ZINC000639930192 371680456 /nfs/dbraw/zinc/68/04/56/371680456.db2.gz ZTTJREDXOGHYCY-CVEARBPZSA-N 2 1 282.403 2.353 20 0 CEADMP CCOC(=O)CC1CC[NH+](CCC[NH+](CC)CC)CC1 ZINC000259938335 371630948 /nfs/dbraw/zinc/63/09/48/371630948.db2.gz NXKRWARNFFCXEZ-UHFFFAOYSA-N 2 1 284.444 2.384 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000261545745 371641440 /nfs/dbraw/zinc/64/14/40/371641440.db2.gz KHQRDQJOLGKLLW-VJANTYMQSA-N 2 1 299.462 2.239 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000261559774 371648191 /nfs/dbraw/zinc/64/81/91/371648191.db2.gz VJSJLFVMKXJNJD-ZDUSSCGKSA-N 2 1 255.365 2.406 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000261561267 371650668 /nfs/dbraw/zinc/65/06/68/371650668.db2.gz FTNDRWFIWJUKMX-CQSZACIVSA-N 2 1 268.788 2.390 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000261561267 371650675 /nfs/dbraw/zinc/65/06/75/371650675.db2.gz FTNDRWFIWJUKMX-CQSZACIVSA-N 2 1 268.788 2.390 20 0 CEADMP CCC1([NH+](C)C)CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000640017568 371738834 /nfs/dbraw/zinc/73/88/34/371738834.db2.gz OEPMAHCJOVIJTP-HNNXBMFYSA-N 2 1 267.461 2.277 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261712974 371709235 /nfs/dbraw/zinc/70/92/35/371709235.db2.gz PGQMTLBSTXNQNV-HUUCEWRRSA-N 2 1 290.407 2.005 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261712974 371709240 /nfs/dbraw/zinc/70/92/40/371709240.db2.gz PGQMTLBSTXNQNV-HUUCEWRRSA-N 2 1 290.407 2.005 20 0 CEADMP c1ccc2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000261760826 371724619 /nfs/dbraw/zinc/72/46/19/371724619.db2.gz NQNMELUUNOJHDW-GJZGRUSLSA-N 2 1 267.376 2.276 20 0 CEADMP c1ccc2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000261760826 371724623 /nfs/dbraw/zinc/72/46/23/371724623.db2.gz NQNMELUUNOJHDW-GJZGRUSLSA-N 2 1 267.376 2.276 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000261772490 371726742 /nfs/dbraw/zinc/72/67/42/371726742.db2.gz MKZSQMACBFDPLI-HNNXBMFYSA-N 2 1 288.420 2.376 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000261772490 371726747 /nfs/dbraw/zinc/72/67/47/371726747.db2.gz MKZSQMACBFDPLI-HNNXBMFYSA-N 2 1 288.420 2.376 20 0 CEADMP CCCNC(=O)CCC[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640015728 371734795 /nfs/dbraw/zinc/73/47/95/371734795.db2.gz MCJDNKFLLKQRAD-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000640016074 371736508 /nfs/dbraw/zinc/73/65/08/371736508.db2.gz RVJFPDLLSCPUHQ-QGZVFWFLSA-N 2 1 290.451 2.396 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000261634770 371685947 /nfs/dbraw/zinc/68/59/47/371685947.db2.gz FSPHFJMFXPYXNJ-HNNXBMFYSA-N 2 1 288.420 2.376 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000261634770 371685952 /nfs/dbraw/zinc/68/59/52/371685952.db2.gz FSPHFJMFXPYXNJ-HNNXBMFYSA-N 2 1 288.420 2.376 20 0 CEADMP Cn1cc(-c2ccc(C[NH+]3CCC([NH3+])CC3)s2)cn1 ZINC000261833709 371746280 /nfs/dbraw/zinc/74/62/80/371746280.db2.gz JGYHIMPCSQUSJE-UHFFFAOYSA-N 2 1 276.409 2.072 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000353328847 220029475 /nfs/dbraw/zinc/02/94/75/220029475.db2.gz QMMPTSCMEMSFSL-GOEBONIOSA-N 2 1 295.471 2.286 20 0 CEADMP CC(C)c1ncc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)s1 ZINC000261890113 371763006 /nfs/dbraw/zinc/76/30/06/371763006.db2.gz VKVJNHLPDOSDOL-ZDUSSCGKSA-N 2 1 253.415 2.437 20 0 CEADMP CC(C)c1ncc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)s1 ZINC000261890113 371763014 /nfs/dbraw/zinc/76/30/14/371763014.db2.gz VKVJNHLPDOSDOL-ZDUSSCGKSA-N 2 1 253.415 2.437 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000261920088 371770720 /nfs/dbraw/zinc/77/07/20/371770720.db2.gz BNUBVNZGXDXSCR-KRWDZBQOSA-N 2 1 290.407 2.279 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000261920088 371770731 /nfs/dbraw/zinc/77/07/31/371770731.db2.gz BNUBVNZGXDXSCR-KRWDZBQOSA-N 2 1 290.407 2.279 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CCC(C)C)[C@H](C)C1 ZINC000361321669 371780699 /nfs/dbraw/zinc/78/06/99/371780699.db2.gz PLCFCBQXXKTKDP-OAGGEKHMSA-N 2 1 270.461 2.446 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000261819229 371741941 /nfs/dbraw/zinc/74/19/41/371741941.db2.gz IFRAJDQRIJJMCX-LLVKDONJSA-N 2 1 264.373 2.345 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000261819229 371741949 /nfs/dbraw/zinc/74/19/49/371741949.db2.gz IFRAJDQRIJJMCX-LLVKDONJSA-N 2 1 264.373 2.345 20 0 CEADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC1CCCCCC1 ZINC000262006816 371797331 /nfs/dbraw/zinc/79/73/31/371797331.db2.gz LWKSHVCVJUPTIO-INIZCTEOSA-N 2 1 295.471 2.276 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccsc1 ZINC000262026737 371804154 /nfs/dbraw/zinc/80/41/54/371804154.db2.gz WRZQIBFWRLIZCJ-MNOVXSKESA-N 2 1 276.409 2.307 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000262915889 371922493 /nfs/dbraw/zinc/92/24/93/371922493.db2.gz GGPBQWUPDZVFCP-ANQUJSFKSA-N 2 1 295.471 2.131 20 0 CEADMP CN1CCC([N@@H+](CCO)Cc2ccc3cnccc3c2)CC1 ZINC000683823663 541864472 /nfs/dbraw/zinc/86/44/72/541864472.db2.gz LLYRUNCFGWOXDU-UHFFFAOYSA-N 2 1 299.418 2.123 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344147466 217074073 /nfs/dbraw/zinc/07/40/73/217074073.db2.gz DGUONRJZPWBUKI-DZGCQCFKSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344147466 217074074 /nfs/dbraw/zinc/07/40/74/217074074.db2.gz DGUONRJZPWBUKI-DZGCQCFKSA-N 2 1 265.401 2.065 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1(C)C ZINC000344159814 217078979 /nfs/dbraw/zinc/07/89/79/217078979.db2.gz DBNWXVVGFYESRT-XGFWRYKXSA-N 2 1 254.418 2.118 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1(C)C ZINC000344159814 217078982 /nfs/dbraw/zinc/07/89/82/217078982.db2.gz DBNWXVVGFYESRT-XGFWRYKXSA-N 2 1 254.418 2.118 20 0 CEADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000361731060 372043867 /nfs/dbraw/zinc/04/38/67/372043867.db2.gz DXBLINHSUIWTSE-RRFJBIMHSA-N 2 1 292.423 2.392 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(F)cc2)CC[N@H+]1C ZINC000268783723 372220064 /nfs/dbraw/zinc/22/00/64/372220064.db2.gz BNCGFULUNLSPQL-GXTWGEPZSA-N 2 1 266.360 2.277 20 0 CEADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268792736 372224996 /nfs/dbraw/zinc/22/49/96/372224996.db2.gz GVZCDWOZWYZUPX-FUHWJXTLSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268792736 372225002 /nfs/dbraw/zinc/22/50/02/372225002.db2.gz GVZCDWOZWYZUPX-FUHWJXTLSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268792736 372225009 /nfs/dbraw/zinc/22/50/09/372225009.db2.gz GVZCDWOZWYZUPX-FUHWJXTLSA-N 2 1 289.467 2.438 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1C ZINC000268811043 372234026 /nfs/dbraw/zinc/23/40/26/372234026.db2.gz FBCFUZINZDAXRK-RDJZCZTQSA-N 2 1 276.424 2.411 20 0 CEADMP C[C@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268930437 372290709 /nfs/dbraw/zinc/29/07/09/372290709.db2.gz ZKBFLBABBHRUSI-ZOBUZTSGSA-N 2 1 276.424 2.258 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C(C)C)CC2)o1 ZINC000268943546 372297965 /nfs/dbraw/zinc/29/79/65/372297965.db2.gz AVBYWPNOGFECKA-AWEZNQCLSA-N 2 1 266.385 2.084 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccsc2)[C@@H](C)C1 ZINC000268943568 372298070 /nfs/dbraw/zinc/29/80/70/372298070.db2.gz AVWZRJFEDNNLNL-QEJZJMRPSA-N 2 1 282.453 2.276 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000268861340 372260344 /nfs/dbraw/zinc/26/03/44/372260344.db2.gz JNTVAMDAJOVVNE-AWEZNQCLSA-N 2 1 292.423 2.024 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)CC[N@H+]1C ZINC000268864385 372260911 /nfs/dbraw/zinc/26/09/11/372260911.db2.gz SGOBMKCHDHZHDI-DOTOQJQBSA-N 2 1 298.434 2.487 20 0 CEADMP C[C@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000269040821 372323159 /nfs/dbraw/zinc/32/31/59/372323159.db2.gz VGGUNTFXJVBQIG-INMHGKMJSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269040821 372323167 /nfs/dbraw/zinc/32/31/67/372323167.db2.gz VGGUNTFXJVBQIG-INMHGKMJSA-N 2 1 276.424 2.258 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000269158253 372361079 /nfs/dbraw/zinc/36/10/79/372361079.db2.gz JELFPOALLJUFJL-CQSZACIVSA-N 2 1 291.439 2.386 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@](C)(CC)C2)CC1 ZINC000362391624 372346453 /nfs/dbraw/zinc/34/64/53/372346453.db2.gz SHJZNLIBASTNHN-DOTOQJQBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@](C)(CC)C2)CC1 ZINC000362391624 372346459 /nfs/dbraw/zinc/34/64/59/372346459.db2.gz SHJZNLIBASTNHN-DOTOQJQBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000362468016 372375347 /nfs/dbraw/zinc/37/53/47/372375347.db2.gz NRZYWOJNBKUIRF-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]([NH3+])c1cn(Cc2c(C)cc(C)[nH+]c2C)nn1 ZINC000641187919 372379731 /nfs/dbraw/zinc/37/97/31/372379731.db2.gz YUFDVCILPKLKBK-CYBMUJFWSA-N 2 1 259.357 2.056 20 0 CEADMP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000362566089 372430120 /nfs/dbraw/zinc/43/01/20/372430120.db2.gz FNFUBHNNOUAVKM-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CCO[C@@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000362827526 372538298 /nfs/dbraw/zinc/53/82/98/372538298.db2.gz RNVYTMVOVLRUGH-HNNXBMFYSA-N 2 1 299.418 2.425 20 0 CEADMP Cc1ccncc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000269621786 372508043 /nfs/dbraw/zinc/50/80/43/372508043.db2.gz NSXIABZFDGQMSM-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000362746975 372511230 /nfs/dbraw/zinc/51/12/30/372511230.db2.gz XASBFTOXLJCMCV-SMDDNHRTSA-N 2 1 284.363 2.213 20 0 CEADMP COCC[NH+]1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362928628 372576441 /nfs/dbraw/zinc/57/64/41/372576441.db2.gz UXJRAXYNALFBQS-UHFFFAOYSA-N 2 1 266.429 2.410 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C1CCC2(CC2)CC1 ZINC000362930335 372578434 /nfs/dbraw/zinc/57/84/34/372578434.db2.gz LPJAWZCMVDQYCA-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP C[NH+]1CCC[C@H]1[C@@H]1CCCN1CC[C@H]1CCC[N@@H+]1C ZINC000363451903 372637902 /nfs/dbraw/zinc/63/79/02/372637902.db2.gz YLPQFVMYNIQRMN-PMPSAXMXSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000363451903 372637907 /nfs/dbraw/zinc/63/79/07/372637907.db2.gz YLPQFVMYNIQRMN-PMPSAXMXSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000363451903 372637916 /nfs/dbraw/zinc/63/79/16/372637916.db2.gz YLPQFVMYNIQRMN-PMPSAXMXSA-N 2 1 265.445 2.029 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccncc2N)c1 ZINC000641717555 372653915 /nfs/dbraw/zinc/65/39/15/372653915.db2.gz LFLBXLJBSQVTNI-UHFFFAOYSA-N 2 1 284.407 2.405 20 0 CEADMP CSc1ccc(C[NH2+]CCc2c[nH+]cn2C)o1 ZINC000641776282 372720211 /nfs/dbraw/zinc/72/02/11/372720211.db2.gz XGHZDGIUXYGCJJ-UHFFFAOYSA-N 2 1 251.355 2.067 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cscn2)[C@H]2CCC[C@H]21 ZINC000353390559 220058570 /nfs/dbraw/zinc/05/85/70/220058570.db2.gz ZQMLXMODTIUZKR-HZSPNIEDSA-N 2 1 265.426 2.148 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000641803178 372747763 /nfs/dbraw/zinc/74/77/63/372747763.db2.gz AXYXKRDYQZJDJE-TVYUQYBPSA-N 2 1 295.814 2.382 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000641803925 372749584 /nfs/dbraw/zinc/74/95/84/372749584.db2.gz FYWWUCRURFTETG-VXGBXAGGSA-N 2 1 299.777 2.133 20 0 CEADMP Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641806389 372751949 /nfs/dbraw/zinc/75/19/49/372751949.db2.gz RKUMRPKOYIHUNY-YUTCNCBUSA-N 2 1 275.396 2.037 20 0 CEADMP CC(C)c1cccc(NC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641810010 372758908 /nfs/dbraw/zinc/75/89/08/372758908.db2.gz ZLZCYPFSIPJJLS-GJZGRUSLSA-N 2 1 289.423 2.464 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000641819751 372764090 /nfs/dbraw/zinc/76/40/90/372764090.db2.gz VOCQYOQDBQOKRK-UHFFFAOYSA-N 2 1 290.411 2.012 20 0 CEADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000365270935 372817381 /nfs/dbraw/zinc/81/73/81/372817381.db2.gz GEDRQPZIUAHESF-OAHLLOKOSA-N 2 1 293.480 2.208 20 0 CEADMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000353455168 220092629 /nfs/dbraw/zinc/09/26/29/220092629.db2.gz PLUZOWGEOKSXFY-ARFHVFGLSA-N 2 1 288.439 2.110 20 0 CEADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccccn1 ZINC000270594532 372858146 /nfs/dbraw/zinc/85/81/46/372858146.db2.gz FSNXAWITNDVUSS-UHFFFAOYSA-N 2 1 258.369 2.499 20 0 CEADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccn1 ZINC000270594532 372858155 /nfs/dbraw/zinc/85/81/55/372858155.db2.gz FSNXAWITNDVUSS-UHFFFAOYSA-N 2 1 258.369 2.499 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccn(C)c2)C[C@H](C)O1 ZINC000270658348 372888219 /nfs/dbraw/zinc/88/82/19/372888219.db2.gz SLCRXBNDAXVTOD-GASCZTMLSA-N 2 1 279.428 2.004 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000353470781 220102866 /nfs/dbraw/zinc/10/28/66/220102866.db2.gz KUFDFHMKGXSJEO-WMLDXEAASA-N 2 1 295.471 2.003 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1-n1cncn1 ZINC000344662171 217266275 /nfs/dbraw/zinc/26/62/75/217266275.db2.gz FRNOMPDZWRMFJB-HOCLYGCPSA-N 2 1 299.422 2.148 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000353481050 220108081 /nfs/dbraw/zinc/10/80/81/220108081.db2.gz CTFAMLPRLIHBEZ-NFOMZHRRSA-N 2 1 284.444 2.428 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000353481050 220108084 /nfs/dbraw/zinc/10/80/84/220108084.db2.gz CTFAMLPRLIHBEZ-NFOMZHRRSA-N 2 1 284.444 2.428 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CCO[C@@H]1CCCCO1)CC2 ZINC000365619396 372905312 /nfs/dbraw/zinc/90/53/12/372905312.db2.gz FUETUVSFFTWORY-OAHLLOKOSA-N 2 1 282.428 2.090 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CCO[C@@H]1CCCCO1)CC2 ZINC000365619396 372905325 /nfs/dbraw/zinc/90/53/25/372905325.db2.gz FUETUVSFFTWORY-OAHLLOKOSA-N 2 1 282.428 2.090 20 0 CEADMP c1cc2c(nc[nH+]c2N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000643044190 372933293 /nfs/dbraw/zinc/93/32/93/372933293.db2.gz OTYNUDOEHQQERT-CHWSQXEVSA-N 2 1 285.395 2.174 20 0 CEADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21)C(C)C ZINC000353499552 220121752 /nfs/dbraw/zinc/12/17/52/220121752.db2.gz VHSAAKLPHWCZLJ-XHSDSOJGSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+](CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C(C)C ZINC000353499552 220121755 /nfs/dbraw/zinc/12/17/55/220121755.db2.gz VHSAAKLPHWCZLJ-XHSDSOJGSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C(C)C ZINC000353499552 220121758 /nfs/dbraw/zinc/12/17/58/220121758.db2.gz VHSAAKLPHWCZLJ-XHSDSOJGSA-N 2 1 267.461 2.179 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000270814732 372963593 /nfs/dbraw/zinc/96/35/93/372963593.db2.gz ABQYNUCCVROTEQ-SFHVURJKSA-N 2 1 299.418 2.465 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000270814732 372963599 /nfs/dbraw/zinc/96/35/99/372963599.db2.gz ABQYNUCCVROTEQ-SFHVURJKSA-N 2 1 299.418 2.465 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000366732397 373115293 /nfs/dbraw/zinc/11/52/93/373115293.db2.gz WUTFLIIJQPZURL-OLZOCXBDSA-N 2 1 293.411 2.155 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCNc2ccccn2)[C@H]2CCC[C@H]21 ZINC000367640327 373171965 /nfs/dbraw/zinc/17/19/65/373171965.db2.gz ZUDONGHOVHSSFS-OWCLPIDISA-N 2 1 288.439 2.346 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2[nH]c(=O)oc2c1 ZINC000643500598 373157667 /nfs/dbraw/zinc/15/76/67/373157667.db2.gz IVFQKXOLWZBPEV-KYTZWMPUSA-N 2 1 287.363 2.467 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CCCC[C@H]3O)C2)CC1 ZINC000366909774 373128856 /nfs/dbraw/zinc/12/88/56/373128856.db2.gz GUMIIPNXLKRAIV-LSDHHAIUSA-N 2 1 266.429 2.098 20 0 CEADMP C[C@@H]1CCC[N@H+]1C1CCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000367014493 373131609 /nfs/dbraw/zinc/13/16/09/373131609.db2.gz WDGLDKLPQUQEFS-HZPDHXFCSA-N 2 1 279.472 2.419 20 0 CEADMP C[C@@H]1CCC[NH+]1C1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000367014493 373131610 /nfs/dbraw/zinc/13/16/10/373131610.db2.gz WDGLDKLPQUQEFS-HZPDHXFCSA-N 2 1 279.472 2.419 20 0 CEADMP C[C@@H]1CCC[NH+]1C1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000367014493 373131614 /nfs/dbraw/zinc/13/16/14/373131614.db2.gz WDGLDKLPQUQEFS-HZPDHXFCSA-N 2 1 279.472 2.419 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CCCO[C@@H]1CCCCO1)CC2 ZINC000366996372 373131739 /nfs/dbraw/zinc/13/17/39/373131739.db2.gz NUWCPFGEEYFLKK-MRXNPFEDSA-N 2 1 296.455 2.480 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CCCO[C@@H]1CCCCO1)CC2 ZINC000366996372 373131742 /nfs/dbraw/zinc/13/17/42/373131742.db2.gz NUWCPFGEEYFLKK-MRXNPFEDSA-N 2 1 296.455 2.480 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000643466577 373134537 /nfs/dbraw/zinc/13/45/37/373134537.db2.gz CNZSBBBRVDCLHI-MGPQQGTHSA-N 2 1 254.418 2.169 20 0 CEADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)CCO2 ZINC000643482354 373149646 /nfs/dbraw/zinc/14/96/46/373149646.db2.gz AKXJHYLSPJHJPY-XHDPSFHLSA-N 2 1 276.380 2.106 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000643523935 373178276 /nfs/dbraw/zinc/17/82/76/373178276.db2.gz OMROGDCNEJRABZ-HOTGVXAUSA-N 3 1 259.397 2.039 20 0 CEADMP Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000643532398 373189964 /nfs/dbraw/zinc/18/99/64/373189964.db2.gz QXFOAHTUXQWTQE-DRZSPHRISA-N 2 1 250.390 2.134 20 0 CEADMP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cnn(C)c1 ZINC000643546624 373203407 /nfs/dbraw/zinc/20/34/07/373203407.db2.gz RVHWEBNDAIZCQY-ZIAGYGMSSA-N 2 1 262.401 2.136 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548468 373205629 /nfs/dbraw/zinc/20/56/29/373205629.db2.gz PWMIXDVHUPAKSI-JSGCOSHPSA-N 2 1 274.412 2.062 20 0 CEADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000368608489 373249488 /nfs/dbraw/zinc/24/94/88/373249488.db2.gz PGCNJLNMNGAVBC-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000369271775 373373134 /nfs/dbraw/zinc/37/31/34/373373134.db2.gz TYHLGQMMJRYWQI-MRXNPFEDSA-N 2 1 299.422 2.183 20 0 CEADMP C[C@H]([NH2+][C@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272274783 373401545 /nfs/dbraw/zinc/40/15/45/373401545.db2.gz CAOBBDFHMPUKBP-XIRDDKMYSA-N 2 1 274.408 2.276 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(c3cc[nH+]c4c(O)cccc34)C2)C1 ZINC000644151708 373436847 /nfs/dbraw/zinc/43/68/47/373436847.db2.gz ZVFCOGXRCORJCG-QGZVFWFLSA-N 2 1 283.375 2.472 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CCC=CO3)C2)CC1 ZINC000369703679 373492409 /nfs/dbraw/zinc/49/24/09/373492409.db2.gz NIAQHXIRKPGDFP-HNNXBMFYSA-N 2 1 264.413 2.487 20 0 CEADMP CC(C)CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000644531355 373514820 /nfs/dbraw/zinc/51/48/20/373514820.db2.gz NQWDBSOJYBVUMV-HZPDHXFCSA-N 2 1 270.461 2.494 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000644669302 373597277 /nfs/dbraw/zinc/59/72/77/373597277.db2.gz VWZLATQTSUQZTI-MSOLQXFVSA-N 2 1 290.451 2.302 20 0 CEADMP c1cc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)nc2[nH]1 ZINC000353633396 220210367 /nfs/dbraw/zinc/21/03/67/220210367.db2.gz XKJRDGUYMOASBV-DZGCQCFKSA-N 2 1 270.380 2.279 20 0 CEADMP c1cc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)nc2[nH]1 ZINC000353633396 220210370 /nfs/dbraw/zinc/21/03/70/220210370.db2.gz XKJRDGUYMOASBV-DZGCQCFKSA-N 2 1 270.380 2.279 20 0 CEADMP C[C@H](CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)CC(C)(C)C ZINC000644629541 373571860 /nfs/dbraw/zinc/57/18/60/373571860.db2.gz ILHVNWVKAIEANJ-UKRRQHHQSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@H](CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)CC(C)(C)C ZINC000644629541 373571866 /nfs/dbraw/zinc/57/18/66/373571866.db2.gz ILHVNWVKAIEANJ-UKRRQHHQSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000370670240 373710958 /nfs/dbraw/zinc/71/09/58/373710958.db2.gz YODPKBJVPRSVLA-IJEWVQPXSA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000370670240 373710970 /nfs/dbraw/zinc/71/09/70/373710970.db2.gz YODPKBJVPRSVLA-IJEWVQPXSA-N 2 1 299.422 2.086 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000370650864 373706990 /nfs/dbraw/zinc/70/69/90/373706990.db2.gz GQOCYMHSXHEPGT-HOCLYGCPSA-N 2 1 299.422 2.087 20 0 CEADMP c1cn(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000371199715 373811955 /nfs/dbraw/zinc/81/19/55/373811955.db2.gz WECPDOFDIDWTQE-MRXNPFEDSA-N 3 1 276.428 2.081 20 0 CEADMP c1cn(CC[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000371199715 373811963 /nfs/dbraw/zinc/81/19/63/373811963.db2.gz WECPDOFDIDWTQE-MRXNPFEDSA-N 3 1 276.428 2.081 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(C)(C)C ZINC000371471030 373894474 /nfs/dbraw/zinc/89/44/74/373894474.db2.gz QIUOHAXIXADFFZ-HZSPNIEDSA-N 2 1 254.418 2.216 20 0 CEADMP Cc1[nH]c2ncnc(N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c2c1C ZINC000645193707 373908998 /nfs/dbraw/zinc/90/89/98/373908998.db2.gz IXQUKTYFKRRUCN-KGLIPLIRSA-N 2 1 299.422 2.495 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000353667786 220239904 /nfs/dbraw/zinc/23/99/04/220239904.db2.gz SAHMKYZQWFTXRI-UHFFFAOYSA-N 2 1 258.369 2.420 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000372059750 374033384 /nfs/dbraw/zinc/03/33/84/374033384.db2.gz LMABNPKFGYZUTR-LTIDMASMSA-N 2 1 296.455 2.035 20 0 CEADMP Cc1c([C@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)cnn1C ZINC000372321385 374096249 /nfs/dbraw/zinc/09/62/49/374096249.db2.gz KXXJJNNXDTUDDO-MRXNPFEDSA-N 2 1 276.428 2.351 20 0 CEADMP Cc1c([C@H]2CCC[N@H+]2CCC[NH+]2CCCC2)cnn1C ZINC000372321385 374096258 /nfs/dbraw/zinc/09/62/58/374096258.db2.gz KXXJJNNXDTUDDO-MRXNPFEDSA-N 2 1 276.428 2.351 20 0 CEADMP C[N@H+]1CCC[C@@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000645685074 374136771 /nfs/dbraw/zinc/13/67/71/374136771.db2.gz SMOUPZJMUWWSPR-JKSUJKDBSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000372957765 374231287 /nfs/dbraw/zinc/23/12/87/374231287.db2.gz RSZSLADRSROSQY-HNSVSWJLSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]1CCCC[NH+]1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000372957765 374231292 /nfs/dbraw/zinc/23/12/92/374231292.db2.gz RSZSLADRSROSQY-HNSVSWJLSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]1CCCC[NH+]1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000372957765 374231299 /nfs/dbraw/zinc/23/12/99/374231299.db2.gz RSZSLADRSROSQY-HNSVSWJLSA-N 2 1 265.445 2.076 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645811351 374200612 /nfs/dbraw/zinc/20/06/12/374200612.db2.gz NAGWNTLMQSBXKI-SJORKVTESA-N 2 1 298.471 2.236 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000372931869 374225047 /nfs/dbraw/zinc/22/50/47/374225047.db2.gz XAIOGGMKKBTAQC-CVEARBPZSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000372931876 374225559 /nfs/dbraw/zinc/22/55/59/374225559.db2.gz XAIOGGMKKBTAQC-JKSUJKDBSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@@H]1CCC[N@H+]1C1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000372749926 374190034 /nfs/dbraw/zinc/19/00/34/374190034.db2.gz MTJUQJUPRXJYPB-DGCLKSJQSA-N 2 1 294.361 2.248 20 0 CEADMP CC[NH+](CC)CCC[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000276864890 374329280 /nfs/dbraw/zinc/32/92/80/374329280.db2.gz GYLOAISQPQZWOO-INIZCTEOSA-N 2 1 264.413 2.384 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000276864890 374329285 /nfs/dbraw/zinc/32/92/85/374329285.db2.gz GYLOAISQPQZWOO-INIZCTEOSA-N 2 1 264.413 2.384 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ncc[nH]1 ZINC000373342776 374331396 /nfs/dbraw/zinc/33/13/96/374331396.db2.gz CPQXVEZTMWPERA-DZKIICNBSA-N 2 1 299.422 2.366 20 0 CEADMP CC[N@H+]1CC[C@H](NC2CC([NH+]3CCCCC3)C2)[C@@H](C)C1 ZINC000373465760 374359381 /nfs/dbraw/zinc/35/93/81/374359381.db2.gz MGHYLLNCPOMEQB-OTBWCIGPSA-N 2 1 279.472 2.323 20 0 CEADMP C1=CC[N@@H+](CCNC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000373480586 374362422 /nfs/dbraw/zinc/36/24/22/374362422.db2.gz OGCFQZIHIQOWHD-UHFFFAOYSA-N 2 1 277.456 2.245 20 0 CEADMP C1=CCN(CC[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000373480586 374362429 /nfs/dbraw/zinc/36/24/29/374362429.db2.gz OGCFQZIHIQOWHD-UHFFFAOYSA-N 2 1 277.456 2.245 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277161817 374422466 /nfs/dbraw/zinc/42/24/66/374422466.db2.gz KFBOLXXJSSJXPO-DLBZAZTESA-N 2 1 276.424 2.445 20 0 CEADMP C[N@H+](CC[NH2+][C@H]1CCC12CCOCC2)C1CCCC1 ZINC000374287070 374531701 /nfs/dbraw/zinc/53/17/01/374531701.db2.gz JDJGPJNXWWZRQD-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@@H+](CC[NH2+][C@H]1CCC12CCOCC2)C1CCCC1 ZINC000374287070 374531709 /nfs/dbraw/zinc/53/17/09/374531709.db2.gz JDJGPJNXWWZRQD-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP COC[C@@H](C)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374313021 374539044 /nfs/dbraw/zinc/53/90/44/374539044.db2.gz SUDMBSQDFPVKAT-ZIAGYGMSSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000277531566 374555422 /nfs/dbraw/zinc/55/54/22/374555422.db2.gz PWWHHENMDDNMGM-INIZCTEOSA-N 2 1 299.422 2.388 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000277531566 374555425 /nfs/dbraw/zinc/55/54/25/374555425.db2.gz PWWHHENMDDNMGM-INIZCTEOSA-N 2 1 299.422 2.388 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CCC([NH+]2CCCC2)CC1 ZINC000374553843 374597970 /nfs/dbraw/zinc/59/79/70/374597970.db2.gz GUNJOWQBTFTQQG-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccn1 ZINC000277666546 374602144 /nfs/dbraw/zinc/60/21/44/374602144.db2.gz WZTBNBCHIZBCJN-QWHCGFSZSA-N 2 1 256.353 2.191 20 0 CEADMP CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000277860831 374669647 /nfs/dbraw/zinc/66/96/47/374669647.db2.gz UDLXMWHUEQDVEW-MRXNPFEDSA-N 2 1 293.411 2.389 20 0 CEADMP CCC[C@]1(C(=O)OCC)CCC[N@H+]1CCn1cc[nH+]c1C ZINC000277860831 374669655 /nfs/dbraw/zinc/66/96/55/374669655.db2.gz UDLXMWHUEQDVEW-MRXNPFEDSA-N 2 1 293.411 2.389 20 0 CEADMP C[N@H+]1CC[C@H](NCc2cscn2)[C@H]2CCC[C@@H]21 ZINC000377124216 374796408 /nfs/dbraw/zinc/79/64/08/374796408.db2.gz DFRMTLGSAFDGAB-AGIUHOORSA-N 2 1 251.399 2.106 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1c2ccccc2CC[C@@H]1CO ZINC000377012805 374773811 /nfs/dbraw/zinc/77/38/11/374773811.db2.gz LMIRCMLTLGOLHB-AEFFLSMTSA-N 2 1 299.418 2.467 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1c2ccccc2CC[C@@H]1CO ZINC000377012807 374774530 /nfs/dbraw/zinc/77/45/30/374774530.db2.gz LMIRCMLTLGOLHB-SJLPKXTDSA-N 2 1 299.418 2.467 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(O)c1 ZINC000378370357 375083172 /nfs/dbraw/zinc/08/31/72/375083172.db2.gz LDNNITRCZWHQAF-PVAVHDDUSA-N 2 1 290.407 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(O)c1 ZINC000378370357 375083177 /nfs/dbraw/zinc/08/31/77/375083177.db2.gz LDNNITRCZWHQAF-PVAVHDDUSA-N 2 1 290.407 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccsc1 ZINC000378371272 375083221 /nfs/dbraw/zinc/08/32/21/375083221.db2.gz OHYMOLGFZRHPTI-ILXRZTDVSA-N 2 1 280.437 2.432 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccsc1 ZINC000378371272 375083229 /nfs/dbraw/zinc/08/32/29/375083229.db2.gz OHYMOLGFZRHPTI-ILXRZTDVSA-N 2 1 280.437 2.432 20 0 CEADMP CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CCCn2ccnc2)C1 ZINC000378444422 375101826 /nfs/dbraw/zinc/10/18/26/375101826.db2.gz WVIBTKLLWLXTNB-GOSISDBHSA-N 2 1 298.434 2.480 20 0 CEADMP CCCOc1ccc(OCC[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000384772311 375217352 /nfs/dbraw/zinc/21/73/52/375217352.db2.gz RYNAXICIEJNURZ-UHFFFAOYSA-N 2 1 278.396 2.276 20 0 CEADMP Cc1cc(Cl)nc(C[NH2+]C2CCN(C)CC2)c1 ZINC000282168079 375418253 /nfs/dbraw/zinc/41/82/53/375418253.db2.gz YJCJMSDKUNBVQJ-UHFFFAOYSA-N 2 1 253.777 2.227 20 0 CEADMP OC1(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000411115906 375529110 /nfs/dbraw/zinc/52/91/10/375529110.db2.gz JGEALHQIITWACD-OAHLLOKOSA-N 2 1 266.429 2.242 20 0 CEADMP Cc1[nH+]ccn1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283851598 375771815 /nfs/dbraw/zinc/77/18/15/375771815.db2.gz HIOLLQFDGVPQIG-QGZVFWFLSA-N 2 1 285.391 2.483 20 0 CEADMP Cc1[nH+]ccn1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283851598 375771819 /nfs/dbraw/zinc/77/18/19/375771819.db2.gz HIOLLQFDGVPQIG-QGZVFWFLSA-N 2 1 285.391 2.483 20 0 CEADMP Cn1c2ccccc2nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414762708 375953378 /nfs/dbraw/zinc/95/33/78/375953378.db2.gz AXESOZXWGNWXLL-OKILXGFUSA-N 2 1 284.407 2.005 20 0 CEADMP CCOCc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1OC ZINC000414764815 375954723 /nfs/dbraw/zinc/95/47/23/375954723.db2.gz BBHZYZMYMLWMCT-UHFFFAOYSA-N 2 1 278.396 2.153 20 0 CEADMP Cc1ccc2ncc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2c1 ZINC000414765460 375956897 /nfs/dbraw/zinc/95/68/97/375956897.db2.gz GBMQKDLYCLZIQD-GASCZTMLSA-N 2 1 284.407 2.074 20 0 CEADMP C[N@H+](Cc1ccccc1OCC1CC1)C1CC([NH3+])C1 ZINC000414767675 375958617 /nfs/dbraw/zinc/95/86/17/375958617.db2.gz GOLXZGWCTQQELR-UHFFFAOYSA-N 2 1 260.381 2.397 20 0 CEADMP C[N@@H+](Cc1ccccc1OCC1CC1)C1CC([NH3+])C1 ZINC000414767675 375958622 /nfs/dbraw/zinc/95/86/22/375958622.db2.gz GOLXZGWCTQQELR-UHFFFAOYSA-N 2 1 260.381 2.397 20 0 CEADMP Cc1cccc(C)c1C[N@@H+]1CCNC[C@@](C)(F)C1 ZINC000414779558 375963758 /nfs/dbraw/zinc/96/37/58/375963758.db2.gz RRLJWUPPOJVMGP-OAHLLOKOSA-N 2 1 250.361 2.437 20 0 CEADMP Cc1cccc(C)c1C[N@H+]1CCNC[C@@](C)(F)C1 ZINC000414779558 375963762 /nfs/dbraw/zinc/96/37/62/375963762.db2.gz RRLJWUPPOJVMGP-OAHLLOKOSA-N 2 1 250.361 2.437 20 0 CEADMP Cc1ccc(C[N@@H+](C)C2CC([NH3+])C2)c(-c2ccnn2C)c1 ZINC000414781554 375964939 /nfs/dbraw/zinc/96/49/39/375964939.db2.gz VURFLYCYHGMVKC-UHFFFAOYSA-N 2 1 284.407 2.317 20 0 CEADMP C[C@@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414782280 375966126 /nfs/dbraw/zinc/96/61/26/375966126.db2.gz OIBNRYOIPVETRX-DOTOQJQBSA-N 2 1 288.435 2.477 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414782839 375966985 /nfs/dbraw/zinc/96/69/85/375966985.db2.gz PCZFPEKUXYNWKQ-CVEARBPZSA-N 2 1 276.428 2.286 20 0 CEADMP FC(F)n1ccnc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784866 375969903 /nfs/dbraw/zinc/96/99/03/375969903.db2.gz RRCARNWTEJVHBT-NWDGAFQWSA-N 2 1 284.354 2.100 20 0 CEADMP FC(F)n1ccnc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784866 375969906 /nfs/dbraw/zinc/96/99/06/375969906.db2.gz RRCARNWTEJVHBT-NWDGAFQWSA-N 2 1 284.354 2.100 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1O ZINC000414685957 375917036 /nfs/dbraw/zinc/91/70/36/375917036.db2.gz FJWCQSMVRNTEBV-OCCSQVGLSA-N 2 1 278.396 2.221 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CC[NH2+]1 ZINC000414703548 375930508 /nfs/dbraw/zinc/93/05/08/375930508.db2.gz VPLRKAQGSKYMPW-GDBMZVCRSA-N 3 1 290.455 2.063 20 0 CEADMP C[N@@H+](CCC[NH3+])CCCc1cc(-c2ccccc2)n[nH]1 ZINC000414705442 375931832 /nfs/dbraw/zinc/93/18/32/375931832.db2.gz NMCCFWBERGRLSJ-UHFFFAOYSA-N 2 1 272.396 2.290 20 0 CEADMP C[N@H+](CCC[NH3+])CCCc1cc(-c2ccccc2)[nH]n1 ZINC000414705442 375931841 /nfs/dbraw/zinc/93/18/41/375931841.db2.gz NMCCFWBERGRLSJ-UHFFFAOYSA-N 2 1 272.396 2.290 20 0 CEADMP C[N@@H+](CCC[NH3+])CCCc1cc(-c2ccccc2)[nH]n1 ZINC000414705442 375931847 /nfs/dbraw/zinc/93/18/47/375931847.db2.gz NMCCFWBERGRLSJ-UHFFFAOYSA-N 2 1 272.396 2.290 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC[NH2+]1 ZINC000414710044 375935143 /nfs/dbraw/zinc/93/51/43/375935143.db2.gz PKTYYIZGJUFUGD-XLMAVXFVSA-N 3 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]1 ZINC000414710044 375935145 /nfs/dbraw/zinc/93/51/45/375935145.db2.gz PKTYYIZGJUFUGD-XLMAVXFVSA-N 3 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]1 ZINC000414710044 375935147 /nfs/dbraw/zinc/93/51/47/375935147.db2.gz PKTYYIZGJUFUGD-XLMAVXFVSA-N 3 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CC[NH2+]1 ZINC000414710044 375935149 /nfs/dbraw/zinc/93/51/49/375935149.db2.gz PKTYYIZGJUFUGD-XLMAVXFVSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CC[NH2+]1 ZINC000414710044 375935151 /nfs/dbraw/zinc/93/51/51/375935151.db2.gz PKTYYIZGJUFUGD-XLMAVXFVSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]1 ZINC000414710044 375935154 /nfs/dbraw/zinc/93/51/54/375935154.db2.gz PKTYYIZGJUFUGD-XLMAVXFVSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]1 ZINC000414710044 375935155 /nfs/dbraw/zinc/93/51/55/375935155.db2.gz PKTYYIZGJUFUGD-XLMAVXFVSA-N 2 1 291.483 2.323 20 0 CEADMP COc1ccc(C)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414809878 375995778 /nfs/dbraw/zinc/99/57/78/375995778.db2.gz HFFRKGUZCIJNJH-YIONKMFJSA-N 2 1 260.381 2.376 20 0 CEADMP C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414820379 376007090 /nfs/dbraw/zinc/00/70/90/376007090.db2.gz AQJDQAICHFPFRQ-JSGCOSHPSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415062262 376019027 /nfs/dbraw/zinc/01/90/27/376019027.db2.gz FCEFIHKEOKDMJL-IUODEOHRSA-N 2 1 254.418 2.299 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000684825423 542073325 /nfs/dbraw/zinc/07/33/25/542073325.db2.gz OWDJRKAUORJXKU-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000414797435 375982005 /nfs/dbraw/zinc/98/20/05/375982005.db2.gz DDIKOFOYQVOOSE-UHFFFAOYSA-N 2 1 273.384 2.079 20 0 CEADMP Cc1cc(C[NH2+][C@H](C[NH3+])C2CC2)cc2cccnc12 ZINC000414801727 375987975 /nfs/dbraw/zinc/98/79/75/375987975.db2.gz MBKBTPSSIKQGSC-OAHLLOKOSA-N 2 1 255.365 2.370 20 0 CEADMP CCc1ccc([C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000287656815 376285583 /nfs/dbraw/zinc/28/55/83/376285583.db2.gz VEYORRWZIJBRLO-OKZBNKHCSA-N 2 1 288.435 2.499 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCOCC3CCC3)CC[C@@H]21 ZINC000419225343 376402480 /nfs/dbraw/zinc/40/24/80/376402480.db2.gz CODFXEAOPLATGR-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCOCC3CCC3)CC[C@@H]21 ZINC000419225343 376402489 /nfs/dbraw/zinc/40/24/89/376402489.db2.gz CODFXEAOPLATGR-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOCC3CCC3)CC[C@@H]21 ZINC000419225343 376402495 /nfs/dbraw/zinc/40/24/95/376402495.db2.gz CODFXEAOPLATGR-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419257595 376416890 /nfs/dbraw/zinc/41/68/90/376416890.db2.gz ADTFFGBSXPPVNY-UONOGXRCSA-N 2 1 295.471 2.286 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000289734424 376470529 /nfs/dbraw/zinc/47/05/29/376470529.db2.gz HVDNDTKAYUCOFM-DLBZAZTESA-N 2 1 274.408 2.279 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000289734424 376470533 /nfs/dbraw/zinc/47/05/33/376470533.db2.gz HVDNDTKAYUCOFM-DLBZAZTESA-N 2 1 274.408 2.279 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000289734424 376470538 /nfs/dbraw/zinc/47/05/38/376470538.db2.gz HVDNDTKAYUCOFM-DLBZAZTESA-N 2 1 274.408 2.279 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000289734424 376470541 /nfs/dbraw/zinc/47/05/41/376470541.db2.gz HVDNDTKAYUCOFM-DLBZAZTESA-N 2 1 274.408 2.279 20 0 CEADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000305781187 376488495 /nfs/dbraw/zinc/48/84/95/376488495.db2.gz OSGQMQZHAOYVDN-HOCLYGCPSA-N 2 1 278.440 2.255 20 0 CEADMP CCC[N@@H+](C)CC(=O)Nc1ccccc1C[NH+](C)C ZINC000557385739 376553824 /nfs/dbraw/zinc/55/38/24/376553824.db2.gz IHULTZAAUQYZQV-UHFFFAOYSA-N 2 1 263.385 2.029 20 0 CEADMP CCn1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1C ZINC000334314111 206354061 /nfs/dbraw/zinc/35/40/61/206354061.db2.gz LXAHKOFVIXHTGK-KRWDZBQOSA-N 2 1 290.455 2.438 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1C ZINC000334314111 206354063 /nfs/dbraw/zinc/35/40/63/206354063.db2.gz LXAHKOFVIXHTGK-KRWDZBQOSA-N 2 1 290.455 2.438 20 0 CEADMP CCn1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1C ZINC000334314111 206354066 /nfs/dbraw/zinc/35/40/66/206354066.db2.gz LXAHKOFVIXHTGK-KRWDZBQOSA-N 2 1 290.455 2.438 20 0 CEADMP CCn1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000334314111 206354068 /nfs/dbraw/zinc/35/40/68/206354068.db2.gz LXAHKOFVIXHTGK-KRWDZBQOSA-N 2 1 290.455 2.438 20 0 CEADMP Cc1ccoc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334316375 206358438 /nfs/dbraw/zinc/35/84/38/206358438.db2.gz OVTYTZWFPPJTPJ-CVEARBPZSA-N 2 1 291.439 2.046 20 0 CEADMP Cc1ccoc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334316375 206358442 /nfs/dbraw/zinc/35/84/42/206358442.db2.gz OVTYTZWFPPJTPJ-CVEARBPZSA-N 2 1 291.439 2.046 20 0 CEADMP C[C@H](NCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309684561 376599220 /nfs/dbraw/zinc/59/92/20/376599220.db2.gz AMFLOPQNWQRCRW-DOTOQJQBSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@H]([NH2+]CCN(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309684561 376599226 /nfs/dbraw/zinc/59/92/26/376599226.db2.gz AMFLOPQNWQRCRW-DOTOQJQBSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@H]([NH2+]CCN(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309684561 376599231 /nfs/dbraw/zinc/59/92/31/376599231.db2.gz AMFLOPQNWQRCRW-DOTOQJQBSA-N 2 1 275.440 2.048 20 0 CEADMP Cn1ccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000309716751 376603431 /nfs/dbraw/zinc/60/34/31/376603431.db2.gz MBTRXASDTNHDDQ-UHFFFAOYSA-N 2 1 298.434 2.217 20 0 CEADMP C[C@H](O)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309753206 376604107 /nfs/dbraw/zinc/60/41/07/376604107.db2.gz OJGVEUAXMDBPJW-HNNXBMFYSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@H](O)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309753206 376604116 /nfs/dbraw/zinc/60/41/16/376604116.db2.gz OJGVEUAXMDBPJW-HNNXBMFYSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2cncn2C)C[C@@H](c2ccccc2)O1 ZINC000289980385 376585765 /nfs/dbraw/zinc/58/57/65/376585765.db2.gz JPWVULGISRAUEK-PBHICJAKSA-N 2 1 285.391 2.425 20 0 CEADMP C[C@@H]1CN(CCc2cncn2C)C[C@@H](c2ccccc2)O1 ZINC000289980385 376585774 /nfs/dbraw/zinc/58/57/74/376585774.db2.gz JPWVULGISRAUEK-PBHICJAKSA-N 2 1 285.391 2.425 20 0 CEADMP CC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310022226 376613128 /nfs/dbraw/zinc/61/31/28/376613128.db2.gz SIDJGASGZRIOMK-RCCFBDPRSA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@@H](O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310022226 376613133 /nfs/dbraw/zinc/61/31/33/376613133.db2.gz SIDJGASGZRIOMK-RCCFBDPRSA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@@H](O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310022226 376613138 /nfs/dbraw/zinc/61/31/38/376613138.db2.gz SIDJGASGZRIOMK-RCCFBDPRSA-N 2 1 288.435 2.211 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](OC(F)F)C1 ZINC000558864485 376649401 /nfs/dbraw/zinc/64/94/01/376649401.db2.gz WLJWVWXOBNHDDW-NEPJUHHUSA-N 2 1 262.344 2.174 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](OC(F)F)C1 ZINC000558864485 376649407 /nfs/dbraw/zinc/64/94/07/376649407.db2.gz WLJWVWXOBNHDDW-NEPJUHHUSA-N 2 1 262.344 2.174 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558864485 376649419 /nfs/dbraw/zinc/64/94/19/376649419.db2.gz WLJWVWXOBNHDDW-NEPJUHHUSA-N 2 1 262.344 2.174 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558864485 376649428 /nfs/dbraw/zinc/64/94/28/376649428.db2.gz WLJWVWXOBNHDDW-NEPJUHHUSA-N 2 1 262.344 2.174 20 0 CEADMP Fc1ccc(OCCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000312754187 376727581 /nfs/dbraw/zinc/72/75/81/376727581.db2.gz WOOQZZPTDBSRTF-UONOGXRCSA-N 2 1 278.371 2.136 20 0 CEADMP COc1cncc(CN2CCC(n3ccnc3)CC2)c1 ZINC000290185836 376677388 /nfs/dbraw/zinc/67/73/88/376677388.db2.gz FSFJPMNPMQJAOH-UHFFFAOYSA-N 2 1 272.352 2.124 20 0 CEADMP COc1ccc(F)cc1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000311906133 376693181 /nfs/dbraw/zinc/69/31/81/376693181.db2.gz DILAPDAPQXAJTJ-FZMZJTMJSA-N 2 1 266.360 2.264 20 0 CEADMP COc1ccc(F)cc1C[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000311906133 376693190 /nfs/dbraw/zinc/69/31/90/376693190.db2.gz DILAPDAPQXAJTJ-FZMZJTMJSA-N 2 1 266.360 2.264 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)C[C@H]2CCC[N@@H+]2C)c1C ZINC000420999345 376773105 /nfs/dbraw/zinc/77/31/05/376773105.db2.gz JLPJPPMOFYABMX-CQSZACIVSA-N 2 1 277.412 2.233 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)C[C@H]2CCC[N@H+]2C)c1C ZINC000420999345 376773108 /nfs/dbraw/zinc/77/31/08/376773108.db2.gz JLPJPPMOFYABMX-CQSZACIVSA-N 2 1 277.412 2.233 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H](O)c2ccccc2)CC1 ZINC000290454058 376786276 /nfs/dbraw/zinc/78/62/76/376786276.db2.gz WDJBVSZRCOJJCI-CZUORRHYSA-N 2 1 262.397 2.182 20 0 CEADMP COCC[NH+]1CCC(N[C@@H]2CCCc3cccnc32)CC1 ZINC000684955306 542096360 /nfs/dbraw/zinc/09/63/60/542096360.db2.gz JSTLBLZUXKAOQY-MRXNPFEDSA-N 2 1 289.423 2.159 20 0 CEADMP Cc1nc(F)ccc1C[N@@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000290585243 376844677 /nfs/dbraw/zinc/84/46/77/376844677.db2.gz UVWBZBPOEGMVKR-BXUZGUMPSA-N 2 1 265.376 2.301 20 0 CEADMP Cc1nc(F)ccc1C[N@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000290585243 376844685 /nfs/dbraw/zinc/84/46/85/376844685.db2.gz UVWBZBPOEGMVKR-BXUZGUMPSA-N 2 1 265.376 2.301 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000422949473 376873656 /nfs/dbraw/zinc/87/36/56/376873656.db2.gz VEPYPOFBSJKKDL-OLZOCXBDSA-N 2 1 299.212 2.297 20 0 CEADMP CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422949619 376873909 /nfs/dbraw/zinc/87/39/09/376873909.db2.gz UOZDRIMBTRNZTL-HZPDHXFCSA-N 2 1 289.423 2.186 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)C1C[NH2+]C1 ZINC000422955349 376879050 /nfs/dbraw/zinc/87/90/50/376879050.db2.gz JANFPQPYIQQPRZ-QMMMGPOBSA-N 2 1 287.176 2.286 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000423078812 376972149 /nfs/dbraw/zinc/97/21/49/376972149.db2.gz WUYSUCUPDOWTML-CWRNSKLLSA-N 2 1 265.445 2.110 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000423078812 376972155 /nfs/dbraw/zinc/97/21/55/376972155.db2.gz WUYSUCUPDOWTML-CWRNSKLLSA-N 2 1 265.445 2.110 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc2nccn2c1 ZINC000685530139 542153658 /nfs/dbraw/zinc/15/36/58/542153658.db2.gz BQOBBBRBBHSTIH-LBPRGKRZSA-N 2 1 289.383 2.185 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422998166 376914722 /nfs/dbraw/zinc/91/47/22/376914722.db2.gz CKZDRVOTZOKRRM-MCIONIFRSA-N 2 1 256.434 2.150 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C1CCC(C(F)F)CC1 ZINC000562525237 376918865 /nfs/dbraw/zinc/91/88/65/376918865.db2.gz SXUVJZFXXHJJFC-UHFFFAOYSA-N 2 1 257.328 2.376 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1Cl ZINC000423005582 376923587 /nfs/dbraw/zinc/92/35/87/376923587.db2.gz SIBSMAKFNXDZIP-NEPJUHHUSA-N 2 1 254.761 2.188 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000423016910 376931008 /nfs/dbraw/zinc/93/10/08/376931008.db2.gz NQKTVKFZRNLSKO-CJNGLKHVSA-N 2 1 258.409 2.379 20 0 CEADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423018371 376934077 /nfs/dbraw/zinc/93/40/77/376934077.db2.gz YSGURIFRQNTUCW-ZQIUZPCESA-N 2 1 276.424 2.461 20 0 CEADMP CC[N@H+](CCN[C@@H](C)[C@H]1CCCC[NH2+]1)CCC(F)(F)F ZINC000423083582 376977906 /nfs/dbraw/zinc/97/79/06/376977906.db2.gz ZATJXJOPQVTYMW-QWHCGFSZSA-N 2 1 295.393 2.381 20 0 CEADMP CC[N@@H+](CCN[C@@H](C)[C@H]1CCCC[NH2+]1)CCC(F)(F)F ZINC000423083582 376977910 /nfs/dbraw/zinc/97/79/10/376977910.db2.gz ZATJXJOPQVTYMW-QWHCGFSZSA-N 2 1 295.393 2.381 20 0 CEADMP C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1c[nH+]ccc1N ZINC000423036432 376942769 /nfs/dbraw/zinc/94/27/69/376942769.db2.gz LAYCVKZGKXQIRY-STQMWFEESA-N 2 1 263.385 2.494 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000423118443 377012583 /nfs/dbraw/zinc/01/25/83/377012583.db2.gz APCPRNTVVOYGEG-JKQORVJESA-N 2 1 275.440 2.365 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000423118443 377012588 /nfs/dbraw/zinc/01/25/88/377012588.db2.gz APCPRNTVVOYGEG-JKQORVJESA-N 2 1 275.440 2.365 20 0 CEADMP CSC1(C[NH2+][C@@H]2CCCCC[C@H]2N)CC[NH+](C)CC1 ZINC000423120499 377015625 /nfs/dbraw/zinc/01/56/25/377015625.db2.gz GWTKBMAKFJIZLZ-ZIAGYGMSSA-N 2 1 285.501 2.063 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000562904169 377019526 /nfs/dbraw/zinc/01/95/26/377019526.db2.gz KCPPMTWFFPTWJX-XYJFISCASA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000562904169 377019533 /nfs/dbraw/zinc/01/95/33/377019533.db2.gz KCPPMTWFFPTWJX-XYJFISCASA-N 2 1 289.467 2.437 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423143299 377041577 /nfs/dbraw/zinc/04/15/77/377041577.db2.gz WXHCHGAGZDKOAC-QLFBSQMISA-N 2 1 255.450 2.356 20 0 CEADMP CC[C@H]([NH2+]CCc1cccnc1OC)[C@H]1CCCC[NH2+]1 ZINC000423142517 377041643 /nfs/dbraw/zinc/04/16/43/377041643.db2.gz VNZUCENWALFTPC-LSDHHAIUSA-N 2 1 277.412 2.143 20 0 CEADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CCC(N)=O ZINC000562988824 377046747 /nfs/dbraw/zinc/04/67/47/377046747.db2.gz TVXIOOIMEQVJTA-CQSZACIVSA-N 2 1 289.423 2.026 20 0 CEADMP CSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCC1 ZINC000423091437 376984140 /nfs/dbraw/zinc/98/41/40/376984140.db2.gz XCUXRGHPKLBQQI-BFHYXJOUSA-N 2 1 284.469 2.019 20 0 CEADMP COC1CCC(C)(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423091041 376986321 /nfs/dbraw/zinc/98/63/21/376986321.db2.gz ZANOWCBRNUEXTN-JLVJUDLZSA-N 2 1 254.418 2.169 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000423203266 377120152 /nfs/dbraw/zinc/12/01/52/377120152.db2.gz CDYPKNXVNNOORS-NEPJUHHUSA-N 2 1 266.360 2.485 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2OC)C1 ZINC000291106408 377075326 /nfs/dbraw/zinc/07/53/26/377075326.db2.gz BLJRMLZVSATJQG-LBPRGKRZSA-N 2 1 266.360 2.266 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2OC)C1 ZINC000291106408 377075332 /nfs/dbraw/zinc/07/53/32/377075332.db2.gz BLJRMLZVSATJQG-LBPRGKRZSA-N 2 1 266.360 2.266 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423173631 377081929 /nfs/dbraw/zinc/08/19/29/377081929.db2.gz ZLVGNSOBXZDMTK-SZMVWBNQSA-N 3 1 289.467 2.266 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423173631 377081938 /nfs/dbraw/zinc/08/19/38/377081938.db2.gz ZLVGNSOBXZDMTK-SZMVWBNQSA-N 2 1 289.467 2.266 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423173631 377081943 /nfs/dbraw/zinc/08/19/43/377081943.db2.gz ZLVGNSOBXZDMTK-SZMVWBNQSA-N 2 1 289.467 2.266 20 0 CEADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423175694 377084333 /nfs/dbraw/zinc/08/43/33/377084333.db2.gz ASXGUNQXLCBCKE-NSHDSACASA-N 2 1 291.395 2.056 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000423272050 377192661 /nfs/dbraw/zinc/19/26/61/377192661.db2.gz JPLSUZRWXICMHU-RYUDHWBXSA-N 2 1 252.406 2.279 20 0 CEADMP C[NH2+]CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423236835 377155230 /nfs/dbraw/zinc/15/52/30/377155230.db2.gz CWJVXDQSFXVQND-LLVKDONJSA-N 2 1 283.213 2.115 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423261117 377179050 /nfs/dbraw/zinc/17/90/50/377179050.db2.gz JBSBWAKUJPBSCN-ABAIWWIYSA-N 2 1 264.417 2.287 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000423265853 377185211 /nfs/dbraw/zinc/18/52/11/377185211.db2.gz CRADTQNOMIQMOH-SMDDNHRTSA-N 2 1 270.804 2.473 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000423269159 377189238 /nfs/dbraw/zinc/18/92/38/377189238.db2.gz GUOCFKPKHHFQIY-WMLDXEAASA-N 2 1 284.407 2.206 20 0 CEADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC(C)(C)[NH3+] ZINC000423282178 377209757 /nfs/dbraw/zinc/20/97/57/377209757.db2.gz CGLRKRAYWYYEJD-LBPRGKRZSA-N 2 1 252.333 2.149 20 0 CEADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(C(=O)OC)cc1 ZINC000423283840 377213338 /nfs/dbraw/zinc/21/33/38/377213338.db2.gz WJMXTGMPTSUAMY-HUUCEWRRSA-N 2 1 276.380 2.251 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c(C)c1OC ZINC000423335994 377267609 /nfs/dbraw/zinc/26/76/09/377267609.db2.gz XNXPZIGZBCFWPG-BXUZGUMPSA-N 2 1 278.396 2.400 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1(CC)CC ZINC000423300058 377229585 /nfs/dbraw/zinc/22/95/85/377229585.db2.gz DBYVGXKXIAPQKC-MJBXVCDLSA-N 2 1 254.418 2.312 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(CCOc3ccccc3)C2)C1 ZINC000292225582 377232027 /nfs/dbraw/zinc/23/20/27/377232027.db2.gz VIAFKWZCBLBHKM-INIZCTEOSA-N 2 1 260.381 2.093 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](CCOc3ccccc3)C2)C1 ZINC000292225582 377232037 /nfs/dbraw/zinc/23/20/37/377232037.db2.gz VIAFKWZCBLBHKM-INIZCTEOSA-N 2 1 260.381 2.093 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CCOc3ccccc3)C2)C1 ZINC000292225582 377232043 /nfs/dbraw/zinc/23/20/43/377232043.db2.gz VIAFKWZCBLBHKM-INIZCTEOSA-N 2 1 260.381 2.093 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CCOc3ccccc3)C2)C1 ZINC000292225582 377232051 /nfs/dbraw/zinc/23/20/51/377232051.db2.gz VIAFKWZCBLBHKM-INIZCTEOSA-N 2 1 260.381 2.093 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(CCOc3ccccc3)C2)C1 ZINC000292225587 377232225 /nfs/dbraw/zinc/23/22/25/377232225.db2.gz VIAFKWZCBLBHKM-MRXNPFEDSA-N 2 1 260.381 2.093 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCOc3ccccc3)C2)C1 ZINC000292225587 377232232 /nfs/dbraw/zinc/23/22/32/377232232.db2.gz VIAFKWZCBLBHKM-MRXNPFEDSA-N 2 1 260.381 2.093 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCOc3ccccc3)C2)C1 ZINC000292225587 377232237 /nfs/dbraw/zinc/23/22/37/377232237.db2.gz VIAFKWZCBLBHKM-MRXNPFEDSA-N 2 1 260.381 2.093 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCOc3ccccc3)C2)C1 ZINC000292225587 377232243 /nfs/dbraw/zinc/23/22/43/377232243.db2.gz VIAFKWZCBLBHKM-MRXNPFEDSA-N 2 1 260.381 2.093 20 0 CEADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(-n2ccnc2)cc1 ZINC000423315193 377245253 /nfs/dbraw/zinc/24/52/53/377245253.db2.gz IRFGJSODBBYBAN-BLLLJJGKSA-N 2 1 270.380 2.260 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(-n2ccnc2)cc1 ZINC000423315195 377246370 /nfs/dbraw/zinc/24/63/70/377246370.db2.gz IRFGJSODBBYBAN-MLGOLLRUSA-N 2 1 270.380 2.260 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1OC ZINC000423325630 377258460 /nfs/dbraw/zinc/25/84/60/377258460.db2.gz QJFJBUHEERRJHU-SMDDNHRTSA-N 2 1 278.396 2.400 20 0 CEADMP CC(C)[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CC1 ZINC000563880105 377309881 /nfs/dbraw/zinc/30/98/81/377309881.db2.gz LEXQYQUEZPDEPV-OFLPRAFFSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000564300494 377370563 /nfs/dbraw/zinc/37/05/63/377370563.db2.gz RBPHDONSBDLZJM-LXTVHRRPSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+](CC1CCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425917328 377387212 /nfs/dbraw/zinc/38/72/12/377387212.db2.gz CVLUFECIEPJGHL-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP C[N@@H+](CC1CCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425917328 377387220 /nfs/dbraw/zinc/38/72/20/377387220.db2.gz CVLUFECIEPJGHL-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP C[NH+](CC1CCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425917328 377387224 /nfs/dbraw/zinc/38/72/24/377387224.db2.gz CVLUFECIEPJGHL-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP C[NH+](CC1CCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425917328 377387230 /nfs/dbraw/zinc/38/72/30/377387230.db2.gz CVLUFECIEPJGHL-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H]1CCC[C@H]([N@@H+](C)Cc2cnc(N(C)C)n2C)C1 ZINC000425324796 377348272 /nfs/dbraw/zinc/34/82/72/377348272.db2.gz KXPRTVDJKIICIY-STQMWFEESA-N 2 1 264.417 2.497 20 0 CEADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cscn1 ZINC000564561198 377404902 /nfs/dbraw/zinc/40/49/02/377404902.db2.gz BAGFYSHFMYQHRX-IYXRBSQSSA-N 2 1 294.468 2.010 20 0 CEADMP CC[C@@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000564935804 377508472 /nfs/dbraw/zinc/50/84/72/377508472.db2.gz BNUHCCJZSFCOPP-GFCCVEGCSA-N 2 1 296.440 2.195 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000564974819 377519076 /nfs/dbraw/zinc/51/90/76/377519076.db2.gz VUGVSXGTZAAOMT-ZIAGYGMSSA-N 2 1 282.391 2.313 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)CC)CC1 ZINC000685658097 542176649 /nfs/dbraw/zinc/17/66/49/542176649.db2.gz RDENWRFAHXXVFP-CQSZACIVSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)CC)CC1 ZINC000685658097 542176652 /nfs/dbraw/zinc/17/66/52/542176652.db2.gz RDENWRFAHXXVFP-CQSZACIVSA-N 2 1 283.460 2.097 20 0 CEADMP CC1CCC(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000332334511 377571668 /nfs/dbraw/zinc/57/16/68/377571668.db2.gz PVECIKBQGBOIEE-XUJLQICISA-N 2 1 291.443 2.200 20 0 CEADMP c1ccc2c(c1)CCN(CC[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000166062628 542189140 /nfs/dbraw/zinc/18/91/40/542189140.db2.gz DFGFCGFKLAMDNY-RTBURBONSA-N 2 1 299.462 2.261 20 0 CEADMP c1ccc2c(c1)CC[N@@H+](CCN[C@@H]1CC[NH+]3CCC[C@@H]3C1)C2 ZINC000166062628 542189142 /nfs/dbraw/zinc/18/91/42/542189142.db2.gz DFGFCGFKLAMDNY-RTBURBONSA-N 2 1 299.462 2.261 20 0 CEADMP c1ccc2c(c1)CC[N@H+](CCN[C@@H]1CC[NH+]3CCC[C@@H]3C1)C2 ZINC000166062628 542189143 /nfs/dbraw/zinc/18/91/43/542189143.db2.gz DFGFCGFKLAMDNY-RTBURBONSA-N 2 1 299.462 2.261 20 0 CEADMP c1ccc2c(c1)CC[NH+](CCN[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000166062628 542189145 /nfs/dbraw/zinc/18/91/45/542189145.db2.gz DFGFCGFKLAMDNY-RTBURBONSA-N 2 1 299.462 2.261 20 0 CEADMP c1ccc2c(c1)CC[NH+](CCN[C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000166062628 542189147 /nfs/dbraw/zinc/18/91/47/542189147.db2.gz DFGFCGFKLAMDNY-RTBURBONSA-N 2 1 299.462 2.261 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](CCCc1cncn1C)CC2 ZINC000565156759 377576455 /nfs/dbraw/zinc/57/64/55/377576455.db2.gz KMIMGWWMPXSWGE-UHFFFAOYSA-N 2 1 299.418 2.462 20 0 CEADMP COc1ccc2c(c1)CC[N@@H+](CCCc1c[nH+]cn1C)CC2 ZINC000565156759 377576461 /nfs/dbraw/zinc/57/64/61/377576461.db2.gz KMIMGWWMPXSWGE-UHFFFAOYSA-N 2 1 299.418 2.462 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](CCCc1c[nH+]cn1C)CC2 ZINC000565156759 377576466 /nfs/dbraw/zinc/57/64/66/377576466.db2.gz KMIMGWWMPXSWGE-UHFFFAOYSA-N 2 1 299.418 2.462 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000685889746 542197136 /nfs/dbraw/zinc/19/71/36/542197136.db2.gz ZJUPTICRUXKCIY-YJNKXOJESA-N 2 1 283.460 2.093 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C[NH2+]CC2 ZINC000565369039 377653071 /nfs/dbraw/zinc/65/30/71/377653071.db2.gz VDXIDHJAWZYGLD-PKOBYXMFSA-N 3 1 299.462 2.296 20 0 CEADMP c1cc2c(cc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C[NH2+]CC2 ZINC000565369039 377653075 /nfs/dbraw/zinc/65/30/75/377653075.db2.gz VDXIDHJAWZYGLD-PKOBYXMFSA-N 2 1 299.462 2.296 20 0 CEADMP Cc1ccc2ccnc(N3CC[N@H+]4CCOC[C@@H]4C3)c2c1 ZINC000565772181 377697046 /nfs/dbraw/zinc/69/70/46/377697046.db2.gz SVJSRBZRUGUGST-HNNXBMFYSA-N 2 1 283.375 2.064 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)CC1CCCC1 ZINC000566063239 377715283 /nfs/dbraw/zinc/71/52/83/377715283.db2.gz KDUPTVVIOQYCQD-OAHLLOKOSA-N 2 1 265.401 2.112 20 0 CEADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(F)cc1F ZINC000566063422 377715471 /nfs/dbraw/zinc/71/54/71/377715471.db2.gz STCNPIUVGLSDQL-SMDDNHRTSA-N 2 1 298.377 2.113 20 0 CEADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(F)cc1F ZINC000566063422 377715479 /nfs/dbraw/zinc/71/54/79/377715479.db2.gz STCNPIUVGLSDQL-SMDDNHRTSA-N 2 1 298.377 2.113 20 0 CEADMP CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000566063662 377715652 /nfs/dbraw/zinc/71/56/52/377715652.db2.gz GNZWBQODKVMIAX-JKSUJKDBSA-N 2 1 268.445 2.390 20 0 CEADMP CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000566063662 377715662 /nfs/dbraw/zinc/71/56/62/377715662.db2.gz GNZWBQODKVMIAX-JKSUJKDBSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H](C[NH2+][C@@H](c1cncc(F)c1)C1CC1)C[NH+](C)C ZINC000293730435 377726806 /nfs/dbraw/zinc/72/68/06/377726806.db2.gz QAVXVNRFVHRHOU-XHDPSFHLSA-N 2 1 265.376 2.459 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000566036745 377711357 /nfs/dbraw/zinc/71/13/57/377711357.db2.gz VQUBVGQZVHSDLO-KGLIPLIRSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H](O)C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000566850929 377774539 /nfs/dbraw/zinc/77/45/39/377774539.db2.gz DZQVMFAEZSAJBO-ZOBUZTSGSA-N 2 1 276.424 2.258 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000566976349 377788760 /nfs/dbraw/zinc/78/87/60/377788760.db2.gz PUNPHMOHEWNXPM-ULQDDVLXSA-N 2 1 280.456 2.201 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000566976349 377788764 /nfs/dbraw/zinc/78/87/64/377788764.db2.gz PUNPHMOHEWNXPM-ULQDDVLXSA-N 2 1 280.456 2.201 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000566976349 377788772 /nfs/dbraw/zinc/78/87/72/377788772.db2.gz PUNPHMOHEWNXPM-ULQDDVLXSA-N 2 1 280.456 2.201 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCOC2)C[C@@H]1C ZINC000438101008 377884345 /nfs/dbraw/zinc/88/43/45/377884345.db2.gz NLPLFQQUNGJMCW-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CCOC2)C[C@@H]1C ZINC000438101008 377884349 /nfs/dbraw/zinc/88/43/49/377884349.db2.gz NLPLFQQUNGJMCW-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2CCOC2)C[C@@H]1C ZINC000438101008 377884351 /nfs/dbraw/zinc/88/43/51/377884351.db2.gz NLPLFQQUNGJMCW-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441354381 377938611 /nfs/dbraw/zinc/93/86/11/377938611.db2.gz IKPRNSHEMXCOKA-CABCVRRESA-N 2 1 281.488 2.427 20 0 CEADMP C[C@H]1CCC[C@@H](C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000441360826 377938732 /nfs/dbraw/zinc/93/87/32/377938732.db2.gz YIINCWDIPSEKDK-JKSUJKDBSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CC1(C)C ZINC000441389542 377942900 /nfs/dbraw/zinc/94/29/00/377942900.db2.gz VUAAJRPRWLEZFY-KGLIPLIRSA-N 2 1 267.461 2.037 20 0 CEADMP COc1ccsc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442928567 378019199 /nfs/dbraw/zinc/01/91/99/378019199.db2.gz PTWKGAVKPDNVBU-NSHDSACASA-N 2 1 254.399 2.318 20 0 CEADMP C[C@@H]([NH3+])C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000442661496 377976782 /nfs/dbraw/zinc/97/67/82/377976782.db2.gz OBOVMJCIZQJZPG-GFCCVEGCSA-N 2 1 290.386 2.427 20 0 CEADMP C[C@@H]([NH3+])C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000442661496 377976785 /nfs/dbraw/zinc/97/67/85/377976785.db2.gz OBOVMJCIZQJZPG-GFCCVEGCSA-N 2 1 290.386 2.427 20 0 CEADMP Cn1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(-c2cccnc2)n1 ZINC000442920541 378019629 /nfs/dbraw/zinc/01/96/29/378019629.db2.gz HCHGDYGNXQIROK-AWEZNQCLSA-N 2 1 299.422 2.043 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H](CC[NH3+])C3)n2c1 ZINC000442933101 378021359 /nfs/dbraw/zinc/02/13/59/378021359.db2.gz ZTHRUTFDLCNQPG-CQSZACIVSA-N 2 1 272.396 2.204 20 0 CEADMP N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000332367915 295275377 /nfs/dbraw/zinc/27/53/77/295275377.db2.gz VGFMLFCGOSJVJT-TUVASFSCSA-N 2 1 253.434 2.001 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC(C)(C)c2ccccn2)CC1 ZINC000449397781 378212706 /nfs/dbraw/zinc/21/27/06/378212706.db2.gz RKHPASDKNRCVHQ-UHFFFAOYSA-N 2 1 291.439 2.060 20 0 CEADMP O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000296024996 378393948 /nfs/dbraw/zinc/39/39/48/378393948.db2.gz SEURJLDEOMNSRL-PXIVNFAOSA-N 2 1 286.419 2.295 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000450632572 378509682 /nfs/dbraw/zinc/50/96/82/378509682.db2.gz PZOBJFRQTFMUDF-BZUAXINKSA-N 2 1 267.461 2.131 20 0 CEADMP CCC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450723127 378548057 /nfs/dbraw/zinc/54/80/57/378548057.db2.gz BYZQJYFEEQRUOT-LZWOXQAQSA-N 2 1 268.445 2.390 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000296640981 378601908 /nfs/dbraw/zinc/60/19/08/378601908.db2.gz YBRFXILQCFHEOT-OIISXLGYSA-N 2 1 276.424 2.316 20 0 CEADMP CC[NH+](CC)CCCN1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000451091903 378707145 /nfs/dbraw/zinc/70/71/45/378707145.db2.gz KQQLOALXQKYOOX-HNNXBMFYSA-N 2 1 267.461 2.134 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000453092263 378800385 /nfs/dbraw/zinc/80/03/85/378800385.db2.gz DFGFVTRWIGIFNH-VNQPRFMTSA-N 2 1 296.842 2.488 20 0 CEADMP CC(C)c1ncc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC000346822983 218024152 /nfs/dbraw/zinc/02/41/52/218024152.db2.gz JNXIDXWFLQIOMO-DRZSPHRISA-N 2 1 265.426 2.436 20 0 CEADMP CC(C)c1ncc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC000346822983 218024154 /nfs/dbraw/zinc/02/41/54/218024154.db2.gz JNXIDXWFLQIOMO-DRZSPHRISA-N 2 1 265.426 2.436 20 0 CEADMP COCC[N@H+](CC(C)(C)[NH3+])[C@H](C)c1ccccc1 ZINC000346829500 218026005 /nfs/dbraw/zinc/02/60/05/218026005.db2.gz VGNZAPPFZDVZBE-CYBMUJFWSA-N 2 1 250.386 2.433 20 0 CEADMP COCC[N@@H+](CC(C)(C)[NH3+])[C@H](C)c1ccccc1 ZINC000346829500 218026007 /nfs/dbraw/zinc/02/60/07/218026007.db2.gz VGNZAPPFZDVZBE-CYBMUJFWSA-N 2 1 250.386 2.433 20 0 CEADMP CC(C)([NH3+])CN1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000346828718 218026802 /nfs/dbraw/zinc/02/68/02/218026802.db2.gz IJJREHMPNIHPHW-UHFFFAOYSA-N 2 1 289.467 2.364 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2cnccn2)C1 ZINC000453161397 378821112 /nfs/dbraw/zinc/82/11/12/378821112.db2.gz AUGOQIWKLNIEMF-JKSUJKDBSA-N 2 1 290.455 2.365 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)n21 ZINC000346833899 218028239 /nfs/dbraw/zinc/02/82/39/218028239.db2.gz MWJWZDFYWJQCLU-CWRNSKLLSA-N 2 1 284.407 2.202 20 0 CEADMP CN(CC[C@@H]1CCCC[N@@H+]1C)c1[nH+]cnc2[nH]ccc21 ZINC000266262892 190244321 /nfs/dbraw/zinc/24/43/21/190244321.db2.gz PMOBUFJBWFTWPZ-LBPRGKRZSA-N 2 1 273.384 2.269 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)c1[nH+]cnc2[nH]ccc21 ZINC000266262892 190244322 /nfs/dbraw/zinc/24/43/22/190244322.db2.gz PMOBUFJBWFTWPZ-LBPRGKRZSA-N 2 1 273.384 2.269 20 0 CEADMP Cc1ncc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1-c1ccccc1 ZINC000346848745 218036096 /nfs/dbraw/zinc/03/60/96/218036096.db2.gz QRZLMZUQRUNHQU-JCGIZDLHSA-N 2 1 296.418 2.350 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]21 ZINC000346855693 218038097 /nfs/dbraw/zinc/03/80/97/218038097.db2.gz VGEUCVGACXCJBO-BPQIPLTHSA-N 2 1 296.418 2.432 20 0 CEADMP COc1cccnc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453382997 378879740 /nfs/dbraw/zinc/87/97/40/378879740.db2.gz ZTDLUWMHEFJMCO-UMVBOHGHSA-N 2 1 275.396 2.053 20 0 CEADMP COc1cccnc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453382997 378879743 /nfs/dbraw/zinc/87/97/43/378879743.db2.gz ZTDLUWMHEFJMCO-UMVBOHGHSA-N 2 1 275.396 2.053 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000346968820 218072111 /nfs/dbraw/zinc/07/21/11/218072111.db2.gz FBCCCRMJRSSFTF-ZDUSSCGKSA-N 2 1 259.397 2.038 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cnn2ccccc12)C1CC1 ZINC000453596489 378916586 /nfs/dbraw/zinc/91/65/86/378916586.db2.gz LLQQIWUOQHPLSW-UHFFFAOYSA-N 2 1 272.396 2.298 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnc(-c3ccncc3)s2)CC[C@@H]1[NH3+] ZINC000346997994 218085302 /nfs/dbraw/zinc/08/53/02/218085302.db2.gz DYZWKGGWJHTRTL-RISCZKNCSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccncc3)s2)CC[C@@H]1[NH3+] ZINC000346997994 218085304 /nfs/dbraw/zinc/08/53/04/218085304.db2.gz DYZWKGGWJHTRTL-RISCZKNCSA-N 2 1 288.420 2.374 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000347063148 218109725 /nfs/dbraw/zinc/10/97/25/218109725.db2.gz ISUJOGUFDPJFCO-LLVKDONJSA-N 2 1 276.409 2.180 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000347063148 218109727 /nfs/dbraw/zinc/10/97/27/218109727.db2.gz ISUJOGUFDPJFCO-LLVKDONJSA-N 2 1 276.409 2.180 20 0 CEADMP CCOCc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000347059436 218107651 /nfs/dbraw/zinc/10/76/51/218107651.db2.gz WZRUITKHLHTSCJ-BBRMVZONSA-N 2 1 292.423 2.401 20 0 CEADMP CCOCc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000347059436 218107652 /nfs/dbraw/zinc/10/76/52/218107652.db2.gz WZRUITKHLHTSCJ-BBRMVZONSA-N 2 1 292.423 2.401 20 0 CEADMP COc1cc(C[N@H+](C)CCC[NH3+])c(SC)cc1OC ZINC000347106691 218123168 /nfs/dbraw/zinc/12/31/68/218123168.db2.gz NKDAFMQGPPOGOR-UHFFFAOYSA-N 2 1 284.425 2.206 20 0 CEADMP COc1cc(C[N@@H+](C)CCC[NH3+])c(SC)cc1OC ZINC000347106691 218123169 /nfs/dbraw/zinc/12/31/69/218123169.db2.gz NKDAFMQGPPOGOR-UHFFFAOYSA-N 2 1 284.425 2.206 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000347307206 218184872 /nfs/dbraw/zinc/18/48/72/218184872.db2.gz AYPULUWHKIORQV-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCC2)[C@@H](C)C1 ZINC000347414053 218227513 /nfs/dbraw/zinc/22/75/13/218227513.db2.gz OCZCYDJKFBITQF-LSDHHAIUSA-N 2 1 268.445 2.249 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000180165630 542261769 /nfs/dbraw/zinc/26/17/69/542261769.db2.gz SGMQPGWRUDEEQA-RYUDHWBXSA-N 2 1 250.390 2.101 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000515068879 379185058 /nfs/dbraw/zinc/18/50/58/379185058.db2.gz OPPQMUXBRVUDFU-YHUYYLMFSA-N 2 1 268.445 2.200 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000515068879 379185060 /nfs/dbraw/zinc/18/50/60/379185060.db2.gz OPPQMUXBRVUDFU-YHUYYLMFSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000515068879 379185064 /nfs/dbraw/zinc/18/50/64/379185064.db2.gz OPPQMUXBRVUDFU-YHUYYLMFSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000515068879 379185069 /nfs/dbraw/zinc/18/50/69/379185069.db2.gz OPPQMUXBRVUDFU-YHUYYLMFSA-N 2 1 268.445 2.200 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000347518488 218260745 /nfs/dbraw/zinc/26/07/45/218260745.db2.gz IGANCEGQVAJLIM-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP CCC[N@@H+](CC1CCCCC1)C[C@](C)(O)C[NH2+]C ZINC000516479820 379284434 /nfs/dbraw/zinc/28/44/34/379284434.db2.gz YRBAEIGMGYPHGH-OAHLLOKOSA-N 2 1 256.434 2.249 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)CC1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000517130643 379344754 /nfs/dbraw/zinc/34/47/54/379344754.db2.gz XKAPAQSPKOEXQI-XJKSGUPXSA-N 2 1 266.429 2.168 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCCO ZINC000304416780 379574673 /nfs/dbraw/zinc/57/46/73/379574673.db2.gz DHVMKLDGJSVQNS-NVXWUHKLSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCCO ZINC000304416780 379574684 /nfs/dbraw/zinc/57/46/84/379574684.db2.gz DHVMKLDGJSVQNS-NVXWUHKLSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCCO ZINC000304416780 379574690 /nfs/dbraw/zinc/57/46/90/379574690.db2.gz DHVMKLDGJSVQNS-NVXWUHKLSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCCO ZINC000304416780 379574699 /nfs/dbraw/zinc/57/46/99/379574699.db2.gz DHVMKLDGJSVQNS-NVXWUHKLSA-N 2 1 276.424 2.211 20 0 CEADMP O[C@@H](C[N@H+]1CC[C@@H](Oc2ccncc2)C1)c1ccccc1 ZINC000305106872 379641319 /nfs/dbraw/zinc/64/13/19/379641319.db2.gz FFPBTKNGPQWOLT-SJORKVTESA-N 2 1 284.359 2.268 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(CC)(CC)CCO)[C@@H](C)C1 ZINC000305174543 379671338 /nfs/dbraw/zinc/67/13/38/379671338.db2.gz VBRWWXXDZBIBIX-LSDHHAIUSA-N 2 1 270.461 2.495 20 0 CEADMP c1c[nH]c([C@H]2CCC[N@H+](CCc3ccccn3)C2)n1 ZINC000267453872 190331656 /nfs/dbraw/zinc/33/16/56/190331656.db2.gz SHXGSSIRPUXDTG-ZDUSSCGKSA-N 2 1 256.353 2.227 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H](n2cccn2)C(F)(F)F)CC[N@H+]1C ZINC000527927603 379849205 /nfs/dbraw/zinc/84/92/05/379849205.db2.gz BDDSGIXSMJVXRU-UTUOFQBUSA-N 2 1 290.333 2.059 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](n2cccn2)C(F)(F)F)CCN1C ZINC000527927603 379849211 /nfs/dbraw/zinc/84/92/11/379849211.db2.gz BDDSGIXSMJVXRU-UTUOFQBUSA-N 2 1 290.333 2.059 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](n2cccn2)C(F)(F)F)CC[N@@H+]1C ZINC000527927603 379849218 /nfs/dbraw/zinc/84/92/18/379849218.db2.gz BDDSGIXSMJVXRU-UTUOFQBUSA-N 2 1 290.333 2.059 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](n2cccn2)C(F)(F)F)CC[N@H+]1C ZINC000527927603 379849226 /nfs/dbraw/zinc/84/92/26/379849226.db2.gz BDDSGIXSMJVXRU-UTUOFQBUSA-N 2 1 290.333 2.059 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc(C)c1O ZINC000347848898 218375602 /nfs/dbraw/zinc/37/56/02/218375602.db2.gz JKVKMBSHHQXRNG-CQSZACIVSA-N 2 1 262.397 2.393 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc(C)c1O ZINC000347848898 218375605 /nfs/dbraw/zinc/37/56/05/218375605.db2.gz JKVKMBSHHQXRNG-CQSZACIVSA-N 2 1 262.397 2.393 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528737668 380070972 /nfs/dbraw/zinc/07/09/72/380070972.db2.gz CAAMCYLKIGXBLP-UHFFFAOYSA-N 2 1 297.406 2.307 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528737668 380070979 /nfs/dbraw/zinc/07/09/79/380070979.db2.gz CAAMCYLKIGXBLP-UHFFFAOYSA-N 2 1 297.406 2.307 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CS[C@H](C(C)C)C2)C1 ZINC000488457801 380095956 /nfs/dbraw/zinc/09/59/56/380095956.db2.gz HVZYNIHWTWFSLQ-RDBSUJKOSA-N 2 1 256.459 2.448 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333837670 380161707 /nfs/dbraw/zinc/16/17/07/380161707.db2.gz KMTKNTUJPPXIOB-RISCZKNCSA-N 2 1 290.411 2.472 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccnc(C)c2)C[C@H]1C ZINC000334381992 380332267 /nfs/dbraw/zinc/33/22/67/380332267.db2.gz KBNJMDILIBFEKH-UKRRQHHQSA-N 2 1 290.411 2.148 20 0 CEADMP Cc1ccc2[nH+]ccc(NCC[N@@H+]3CCO[C@@H](C)C3)c2c1 ZINC000544856980 380364859 /nfs/dbraw/zinc/36/48/59/380364859.db2.gz JTQIKFJDGCDQCE-AWEZNQCLSA-N 2 1 285.391 2.098 20 0 CEADMP C[NH+](C)CC1(NC(=O)CC[N@@H+](C)C2CCCCC2)CCC1 ZINC000545284707 380377574 /nfs/dbraw/zinc/37/75/74/380377574.db2.gz VQWDYUAXDSOYCO-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000492441302 380557338 /nfs/dbraw/zinc/55/73/38/380557338.db2.gz ZPKCDKGBNXAIGM-MGPQQGTHSA-N 2 1 299.459 2.314 20 0 CEADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000492441302 380557343 /nfs/dbraw/zinc/55/73/43/380557343.db2.gz ZPKCDKGBNXAIGM-MGPQQGTHSA-N 2 1 299.459 2.314 20 0 CEADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000492441302 380557347 /nfs/dbraw/zinc/55/73/47/380557347.db2.gz ZPKCDKGBNXAIGM-MGPQQGTHSA-N 2 1 299.459 2.314 20 0 CEADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000492441302 380557352 /nfs/dbraw/zinc/55/73/52/380557352.db2.gz ZPKCDKGBNXAIGM-MGPQQGTHSA-N 2 1 299.459 2.314 20 0 CEADMP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000552248738 380696904 /nfs/dbraw/zinc/69/69/04/380696904.db2.gz RERAQIGDYYKVFH-JHJVBQTASA-N 2 1 265.426 2.414 20 0 CEADMP Cc1cnc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000552248738 380696906 /nfs/dbraw/zinc/69/69/06/380696906.db2.gz RERAQIGDYYKVFH-JHJVBQTASA-N 2 1 265.426 2.414 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCCC[NH+](C)C ZINC000552362612 380701788 /nfs/dbraw/zinc/70/17/88/380701788.db2.gz DTTWQWCPLWWOSG-XHSDSOJGSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000552996731 380720486 /nfs/dbraw/zinc/72/04/86/380720486.db2.gz FFAOGOKVCSUVHP-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CC[NH+](CC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000552996731 380720487 /nfs/dbraw/zinc/72/04/87/380720487.db2.gz FFAOGOKVCSUVHP-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000553062124 380721739 /nfs/dbraw/zinc/72/17/39/380721739.db2.gz FSVCWCUCLWMBPN-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP Cn1cncc1CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556177825 380878819 /nfs/dbraw/zinc/87/88/19/380878819.db2.gz NSCWGPDAEXWXAZ-WMZOPIPTSA-N 2 1 298.434 2.388 20 0 CEADMP Cn1cncc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556177825 380878826 /nfs/dbraw/zinc/87/88/26/380878826.db2.gz NSCWGPDAEXWXAZ-WMZOPIPTSA-N 2 1 298.434 2.388 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccncc1F ZINC000556196462 380883143 /nfs/dbraw/zinc/88/31/43/380883143.db2.gz YPOOKHBXHOYIIT-VHSXEESVSA-N 2 1 260.316 2.152 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000334822151 207137539 /nfs/dbraw/zinc/13/75/39/207137539.db2.gz USNRUTWCTMHBAQ-TZMCWYRMSA-N 2 1 272.396 2.059 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000334845553 207177595 /nfs/dbraw/zinc/17/75/95/207177595.db2.gz XCOOKIKBSXJVRF-LBPRGKRZSA-N 2 1 298.228 2.322 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCC23CCCC3)CC1 ZINC000189085218 285013485 /nfs/dbraw/zinc/01/34/85/285013485.db2.gz NCSWTCGMZPFEGH-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000262063055 296350551 /nfs/dbraw/zinc/35/05/51/296350551.db2.gz RHDPQDIREODKCZ-OWCLPIDISA-N 2 1 295.471 2.132 20 0 CEADMP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n(-c2ccccc2)n1 ZINC000335256341 208038194 /nfs/dbraw/zinc/03/81/94/208038194.db2.gz NZYQISQNADKBNP-IYBDPMFKSA-N 2 1 296.418 2.304 20 0 CEADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000289304097 197290612 /nfs/dbraw/zinc/29/06/12/197290612.db2.gz BWGFBECOYCETSF-ZQIUZPCESA-N 2 1 276.424 2.223 20 0 CEADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289304097 197290614 /nfs/dbraw/zinc/29/06/14/197290614.db2.gz BWGFBECOYCETSF-ZQIUZPCESA-N 2 1 276.424 2.223 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000392252354 542375558 /nfs/dbraw/zinc/37/55/58/542375558.db2.gz VCLDXZSQDPISFS-OAHLLOKOSA-N 2 1 257.381 2.311 20 0 CEADMP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000360031195 285218497 /nfs/dbraw/zinc/21/84/97/285218497.db2.gz ZKRZNKLOJXAGQN-UONOGXRCSA-N 2 1 254.418 2.121 20 0 CEADMP COC[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000247160631 285235854 /nfs/dbraw/zinc/23/58/54/285235854.db2.gz UDEWYIMYYNPTJY-IJEWVQPXSA-N 2 1 268.445 2.369 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCC1CC1 ZINC000359930393 285243098 /nfs/dbraw/zinc/24/30/98/285243098.db2.gz RADCGPAPNQQHLB-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP O[C@@H]1c2ccccc2C[C@@H]1[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182793209 285338646 /nfs/dbraw/zinc/33/86/46/285338646.db2.gz OWBBYAHKQRUZHR-FHLIZLRMSA-N 2 1 286.419 2.062 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000281647191 195321235 /nfs/dbraw/zinc/32/12/35/195321235.db2.gz JMOFYPICHQIMSO-SJLPKXTDSA-N 2 1 288.435 2.284 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000281647191 195321238 /nfs/dbraw/zinc/32/12/38/195321238.db2.gz JMOFYPICHQIMSO-SJLPKXTDSA-N 2 1 288.435 2.284 20 0 CEADMP CCC(CC)(CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000300413340 394456228 /nfs/dbraw/zinc/45/62/28/394456228.db2.gz AUNNIHTYJVFWHK-MGPQQGTHSA-N 2 1 256.434 2.103 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC2C(C)(C)C2(C)C)CC1 ZINC000355656714 394490858 /nfs/dbraw/zinc/49/08/58/394490858.db2.gz KLPVETFRJINHSO-UHFFFAOYSA-N 2 1 268.445 2.369 20 0 CEADMP C[NH+](C/C=C/C[N@H+](C)[C@H]1CCSC1)[C@@H]1CCSC1 ZINC000245851729 394505783 /nfs/dbraw/zinc/50/57/83/394505783.db2.gz JJRXYPBXBCHMRD-ISANGGDFSA-N 2 1 286.510 2.417 20 0 CEADMP C[NH+](C/C=C/C[N@H+](C)[C@@H]1CCSC1)[C@H]1CCSC1 ZINC000245851729 394505786 /nfs/dbraw/zinc/50/57/86/394505786.db2.gz JJRXYPBXBCHMRD-ISANGGDFSA-N 2 1 286.510 2.417 20 0 CEADMP C[NH+](C/C=C/C[N@@H+](C)[C@@H]1CCSC1)[C@H]1CCSC1 ZINC000245851729 394505788 /nfs/dbraw/zinc/50/57/88/394505788.db2.gz JJRXYPBXBCHMRD-ISANGGDFSA-N 2 1 286.510 2.417 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000356675343 394584517 /nfs/dbraw/zinc/58/45/17/394584517.db2.gz KLULKWCWOCLADX-KBUPBQIOSA-N 2 1 252.402 2.018 20 0 CEADMP CCC(C)(C)OCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000308716550 394530413 /nfs/dbraw/zinc/53/04/13/394530413.db2.gz BPDFVHLDVZDNTF-UHFFFAOYSA-N 2 1 254.418 2.408 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCCOCc1ccccc1 ZINC000309988473 394534587 /nfs/dbraw/zinc/53/45/87/394534587.db2.gz YVSMWEUDAPGYIZ-UHFFFAOYSA-N 2 1 250.386 2.135 20 0 CEADMP CCOC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000313211554 394542113 /nfs/dbraw/zinc/54/21/13/394542113.db2.gz KCRPBOHSQSDQDJ-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000092561080 394660979 /nfs/dbraw/zinc/66/09/79/394660979.db2.gz LGHVWFFSACTZFK-GJZGRUSLSA-N 2 1 256.434 2.371 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000334198871 394662679 /nfs/dbraw/zinc/66/26/79/394662679.db2.gz MFHOUHZSJAQGCD-RHSMWYFYSA-N 3 1 279.472 2.323 20 0 CEADMP COC1([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)CCCC1 ZINC000421837464 394611225 /nfs/dbraw/zinc/61/12/25/394611225.db2.gz QXAQEQFHVHKBNT-ZDUSSCGKSA-N 2 1 252.402 2.186 20 0 CEADMP COC1([C@H](C)[NH2+]CC2([NH+](C)C)CCOCC2)CCCC1 ZINC000421840567 394612305 /nfs/dbraw/zinc/61/23/05/394612305.db2.gz ZUZKDNANCVUADT-AWEZNQCLSA-N 2 1 284.444 2.035 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000262153151 394613842 /nfs/dbraw/zinc/61/38/42/394613842.db2.gz RYNZYYNPOQSTRV-GOEBONIOSA-N 2 1 283.460 2.275 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000422736790 394748683 /nfs/dbraw/zinc/74/86/83/394748683.db2.gz GSDXYZPKOJMAAL-ZQIUZPCESA-N 2 1 275.440 2.017 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714561 394734988 /nfs/dbraw/zinc/73/49/88/394734988.db2.gz LAUUIIUMJZUBKL-JZXOWHBKSA-N 2 1 289.467 2.266 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714561 394734993 /nfs/dbraw/zinc/73/49/93/394734993.db2.gz LAUUIIUMJZUBKL-JZXOWHBKSA-N 3 1 289.467 2.266 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714561 394734995 /nfs/dbraw/zinc/73/49/95/394734995.db2.gz LAUUIIUMJZUBKL-JZXOWHBKSA-N 3 1 289.467 2.266 20 0 CEADMP COc1cc(C)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1 ZINC000359006484 394736205 /nfs/dbraw/zinc/73/62/05/394736205.db2.gz WEEDWGJZIFTLAG-TZMCWYRMSA-N 2 1 277.412 2.279 20 0 CEADMP COc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)n1 ZINC000359006484 394736209 /nfs/dbraw/zinc/73/62/09/394736209.db2.gz WEEDWGJZIFTLAG-TZMCWYRMSA-N 2 1 277.412 2.279 20 0 CEADMP CCOc1c(Cl)cc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1OC ZINC000422720982 394740627 /nfs/dbraw/zinc/74/06/27/394740627.db2.gz NBLSFCBZPLCTBP-JTQLQIEISA-N 2 1 298.814 2.445 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422738673 394749461 /nfs/dbraw/zinc/74/94/61/394749461.db2.gz KCMILRKGLBHBQD-HRCADAONSA-N 2 1 267.461 2.371 20 0 CEADMP CCOc1ccc([C@H]2CCC[N@H+]2CCOCC[NH3+])cc1 ZINC000357023639 394684381 /nfs/dbraw/zinc/68/43/81/394684381.db2.gz CWWQEUUUSDVAMF-MRXNPFEDSA-N 2 1 278.396 2.198 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414066525 394692652 /nfs/dbraw/zinc/69/26/52/394692652.db2.gz HCGMQTFUGYOCMQ-QWHCGFSZSA-N 2 1 287.411 2.321 20 0 CEADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357053705 394694715 /nfs/dbraw/zinc/69/47/15/394694715.db2.gz PPGFYMHZDFGNIQ-PVAVHDDUSA-N 2 1 258.409 2.407 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000268825428 394699733 /nfs/dbraw/zinc/69/97/33/394699733.db2.gz ITWDYTMFMLRDRI-WMLDXEAASA-N 2 1 288.435 2.455 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC000334624758 394701428 /nfs/dbraw/zinc/70/14/28/394701428.db2.gz OKGOPSNDPNUZAN-ZDUSSCGKSA-N 2 1 258.356 2.449 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC000334624758 394701430 /nfs/dbraw/zinc/70/14/30/394701430.db2.gz OKGOPSNDPNUZAN-ZDUSSCGKSA-N 2 1 258.356 2.449 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC000334624758 394701432 /nfs/dbraw/zinc/70/14/32/394701432.db2.gz OKGOPSNDPNUZAN-ZDUSSCGKSA-N 2 1 258.356 2.449 20 0 CEADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1C[C@H]1C ZINC000414101473 394703260 /nfs/dbraw/zinc/70/32/60/394703260.db2.gz CAQCVPQAFLWHQT-KNCCTNLNSA-N 2 1 288.435 2.387 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H](C)c1c[nH+]ccc1N ZINC000422733342 394746583 /nfs/dbraw/zinc/74/65/83/394746583.db2.gz QUQCVBIDYCYISZ-ZIAGYGMSSA-N 2 1 276.428 2.409 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCOC1 ZINC000358041417 394707673 /nfs/dbraw/zinc/70/76/73/394707673.db2.gz CWSHXBKCTBFUJJ-YVSFHVDLSA-N 2 1 298.471 2.281 20 0 CEADMP CC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H]1C[C@H]1C ZINC000414129868 394711261 /nfs/dbraw/zinc/71/12/61/394711261.db2.gz VPDHKCGAXLRHQT-MCIONIFRSA-N 2 1 254.418 2.121 20 0 CEADMP COc1ccc2c(c1)C[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000334871929 394717002 /nfs/dbraw/zinc/71/70/02/394717002.db2.gz CKYLTXBORYUWDA-ZIAGYGMSSA-N 2 1 274.408 2.441 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414170563 394721213 /nfs/dbraw/zinc/72/12/13/394721213.db2.gz CABGHHWJJRLUHO-HOTGVXAUSA-N 2 1 278.444 2.229 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000105480372 394722064 /nfs/dbraw/zinc/72/20/64/394722064.db2.gz YCFQUJCKMFKDLS-PBHICJAKSA-N 3 1 275.440 2.178 20 0 CEADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000105480372 394722065 /nfs/dbraw/zinc/72/20/65/394722065.db2.gz YCFQUJCKMFKDLS-PBHICJAKSA-N 2 1 275.440 2.178 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422699876 394725327 /nfs/dbraw/zinc/72/53/27/394725327.db2.gz BMIHPUZCNXCWGE-OAGGEKHMSA-N 3 1 276.428 2.092 20 0 CEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc2n(n1)CCC2 ZINC000414191877 394726375 /nfs/dbraw/zinc/72/63/75/394726375.db2.gz SBEGMCFNFQXIEI-ZIAGYGMSSA-N 2 1 276.428 2.212 20 0 CEADMP COc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1OC ZINC000422700225 394726625 /nfs/dbraw/zinc/72/66/25/394726625.db2.gz BTHUDWMZMMBPFH-TZMCWYRMSA-N 2 1 278.396 2.182 20 0 CEADMP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1F ZINC000422702830 394727567 /nfs/dbraw/zinc/72/75/67/394727567.db2.gz GALJYCNXRWMTDW-WFASDCNBSA-N 2 1 280.387 2.497 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000422704612 394728389 /nfs/dbraw/zinc/72/83/89/394728389.db2.gz QAJMGRCJSNDLQE-NEPJUHHUSA-N 2 1 282.771 2.081 20 0 CEADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cnn(C)c1 ZINC000414199486 394728737 /nfs/dbraw/zinc/72/87/37/394728737.db2.gz XGXRIIVCJFPTPL-DZGCQCFKSA-N 2 1 264.417 2.193 20 0 CEADMP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1F ZINC000422704230 394728822 /nfs/dbraw/zinc/72/88/22/394728822.db2.gz KDAVBNJJXVAZMA-FZMZJTMJSA-N 2 1 266.360 2.107 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)[C@@H]1CCCC[NH2+]1 ZINC000422739127 394750626 /nfs/dbraw/zinc/75/06/26/394750626.db2.gz ZWQZYSOKZSSMSN-CJNGLKHVSA-N 2 1 274.408 2.284 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1 ZINC000414818210 394751901 /nfs/dbraw/zinc/75/19/01/394751901.db2.gz VBEIDZJMUJENSJ-KBUPBQIOSA-N 2 1 284.444 2.461 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422745512 394755634 /nfs/dbraw/zinc/75/56/34/394755634.db2.gz VHRKBZVINLKXAV-PMPSAXMXSA-N 3 1 267.461 2.085 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](CN[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422745512 394755637 /nfs/dbraw/zinc/75/56/37/394755637.db2.gz VHRKBZVINLKXAV-PMPSAXMXSA-N 2 1 267.461 2.085 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422745512 394755640 /nfs/dbraw/zinc/75/56/40/394755640.db2.gz VHRKBZVINLKXAV-PMPSAXMXSA-N 2 1 267.461 2.085 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccccc1OC(C)C ZINC000414831311 394758939 /nfs/dbraw/zinc/75/89/39/394758939.db2.gz CWGONVDIOPDJGL-ZDUSSCGKSA-N 2 1 250.386 2.419 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422753202 394759610 /nfs/dbraw/zinc/75/96/10/394759610.db2.gz FUGLDGJMWWNAEI-OAGGEKHMSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422753202 394759613 /nfs/dbraw/zinc/75/96/13/394759613.db2.gz FUGLDGJMWWNAEI-OAGGEKHMSA-N 2 1 281.488 2.475 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000414837691 394762459 /nfs/dbraw/zinc/76/24/59/394762459.db2.gz UXPOFDNFDUVPJY-BMFZPTHFSA-N 2 1 261.413 2.006 20 0 CEADMP CC[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414836872 394762656 /nfs/dbraw/zinc/76/26/56/394762656.db2.gz WRNIEANXVJAUPO-DOTOQJQBSA-N 2 1 275.440 2.239 20 0 CEADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1(C)C ZINC000422757497 394762880 /nfs/dbraw/zinc/76/28/80/394762880.db2.gz DCZSUUOPHZPTCX-ZQDZILKHSA-N 2 1 268.445 2.414 20 0 CEADMP Cn1cc(C[NH2+]CC2([NH3+])CCCCC2)c(C(C)(C)C)n1 ZINC000414843886 394767135 /nfs/dbraw/zinc/76/71/35/394767135.db2.gz OXUKCMMNSJOPIA-UHFFFAOYSA-N 2 1 278.444 2.469 20 0 CEADMP COc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1OC ZINC000414846245 394767762 /nfs/dbraw/zinc/76/77/62/394767762.db2.gz DVFKRGXUHBBEIU-QWHCGFSZSA-N 2 1 278.396 2.182 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H](C)C[C@H](C)[NH3+])CC2)[nH+]1 ZINC000422764354 394767878 /nfs/dbraw/zinc/76/78/78/394767878.db2.gz PYDOVYMJBOSUMW-GXTWGEPZSA-N 3 1 276.428 2.074 20 0 CEADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCC2 ZINC000335489928 394771043 /nfs/dbraw/zinc/77/10/43/394771043.db2.gz YXIRIYFLWYVLKA-RDJZCZTQSA-N 2 1 274.408 2.341 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000414852449 394771261 /nfs/dbraw/zinc/77/12/61/394771261.db2.gz RCWFARQYMMSQSF-ZFWWWQNUSA-N 2 1 266.433 2.358 20 0 CEADMP C[NH2+]CCCN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414856427 394774037 /nfs/dbraw/zinc/77/40/37/394774037.db2.gz ABWTZQIIMBHGFN-HOCLYGCPSA-N 2 1 261.413 2.021 20 0 CEADMP C[NH2+]CCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000414859749 394774744 /nfs/dbraw/zinc/77/47/44/394774744.db2.gz NNKVALABFDKFMR-KZNAEPCWSA-N 2 1 287.451 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000414859749 394774748 /nfs/dbraw/zinc/77/47/48/394774748.db2.gz NNKVALABFDKFMR-KZNAEPCWSA-N 3 1 287.451 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000414859749 394774753 /nfs/dbraw/zinc/77/47/53/394774753.db2.gz NNKVALABFDKFMR-KZNAEPCWSA-N 3 1 287.451 2.096 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414863764 394777047 /nfs/dbraw/zinc/77/70/47/394777047.db2.gz YDBAOMPIUZRVHG-OAHLLOKOSA-N 2 1 284.407 2.270 20 0 CEADMP CCC[NH2+]CC[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000414867360 394778741 /nfs/dbraw/zinc/77/87/41/394778741.db2.gz IKMXSKCHHPRJPD-CYBMUJFWSA-N 2 1 280.412 2.224 20 0 CEADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422783274 394781593 /nfs/dbraw/zinc/78/15/93/394781593.db2.gz OAMGEDQUZCBTEO-IXDOHACOSA-N 2 1 276.424 2.476 20 0 CEADMP Cn1cc(C[NH2+]CC2([NH3+])CCC2)c(-c2ccccc2)n1 ZINC000414873425 394782204 /nfs/dbraw/zinc/78/22/04/394782204.db2.gz HGGOOUVHZKRBCO-UHFFFAOYSA-N 2 1 270.380 2.058 20 0 CEADMP COCC1(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCC1 ZINC000361318100 394823892 /nfs/dbraw/zinc/82/38/92/394823892.db2.gz HMHVXMHGNVBGSY-HNNXBMFYSA-N 2 1 266.429 2.221 20 0 CEADMP C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422785971 394783742 /nfs/dbraw/zinc/78/37/42/394783742.db2.gz PWNKAXBJZNPSKH-XIRDDKMYSA-N 2 1 276.424 2.273 20 0 CEADMP Cc1ncc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)n1-c1ccccc1 ZINC000414955854 394824023 /nfs/dbraw/zinc/82/40/23/394824023.db2.gz UUMCDAUGIBKZHN-ZFWWWQNUSA-N 2 1 284.407 2.411 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000414878601 394784178 /nfs/dbraw/zinc/78/41/78/394784178.db2.gz OJPKEHFBSGRZCX-NSHDSACASA-N 2 1 261.394 2.495 20 0 CEADMP C[C@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000360014977 394784525 /nfs/dbraw/zinc/78/45/25/394784525.db2.gz GTDKHXHJPQZCLC-CQSZACIVSA-N 2 1 297.487 2.153 20 0 CEADMP COc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414890522 394790722 /nfs/dbraw/zinc/79/07/22/394790722.db2.gz ZQGZDWSZSUHZQN-UHFFFAOYSA-N 2 1 285.391 2.360 20 0 CEADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1SC ZINC000414893883 394792589 /nfs/dbraw/zinc/79/25/89/394792589.db2.gz KQBSCWDIPCQAAX-GFCCVEGCSA-N 2 1 266.410 2.244 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422801076 394796850 /nfs/dbraw/zinc/79/68/50/394796850.db2.gz BCHMUGRIXKIUEK-STQMWFEESA-N 2 1 265.401 2.189 20 0 CEADMP COC(=O)c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414909079 394799585 /nfs/dbraw/zinc/79/95/85/394799585.db2.gz BWEFOCFZUBUITA-CHWSQXEVSA-N 2 1 296.798 2.486 20 0 CEADMP CC[C@@H]([NH2+]CCN(C)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422810869 394802518 /nfs/dbraw/zinc/80/25/18/394802518.db2.gz OCYXXKDJYQRPKO-CVEARBPZSA-N 2 1 261.413 2.243 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000422810438 394803152 /nfs/dbraw/zinc/80/31/52/394803152.db2.gz UDMOUBFMUGXDMG-GDBMZVCRSA-N 2 1 267.461 2.229 20 0 CEADMP COc1cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc(OC)c1 ZINC000275084147 394805133 /nfs/dbraw/zinc/80/51/33/394805133.db2.gz ZASIBBXFURBQSC-CXAGYDPISA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc(OC)c1 ZINC000275084147 394805138 /nfs/dbraw/zinc/80/51/38/394805138.db2.gz ZASIBBXFURBQSC-CXAGYDPISA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc(OC)c1 ZINC000275084147 394805147 /nfs/dbraw/zinc/80/51/47/394805147.db2.gz ZASIBBXFURBQSC-CXAGYDPISA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc(OC)c1 ZINC000275084147 394805150 /nfs/dbraw/zinc/80/51/50/394805150.db2.gz ZASIBBXFURBQSC-CXAGYDPISA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc(OC)c1 ZINC000275084147 394805153 /nfs/dbraw/zinc/80/51/53/394805153.db2.gz ZASIBBXFURBQSC-CXAGYDPISA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc(OC)c1 ZINC000275084147 394805155 /nfs/dbraw/zinc/80/51/55/394805155.db2.gz ZASIBBXFURBQSC-CXAGYDPISA-N 2 1 292.423 2.476 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414933295 394809774 /nfs/dbraw/zinc/80/97/74/394809774.db2.gz DNSAREZNXPKAPX-HOCLYGCPSA-N 2 1 284.407 2.268 20 0 CEADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414941053 394814437 /nfs/dbraw/zinc/81/44/37/394814437.db2.gz IBKDBGUKKSUBDP-JTQLQIEISA-N 2 1 298.312 2.328 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000414947813 394817646 /nfs/dbraw/zinc/81/76/46/394817646.db2.gz XAWHAEOZFCLJLO-ATLSCFEFSA-N 2 1 287.451 2.410 20 0 CEADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000414947813 394817647 /nfs/dbraw/zinc/81/76/47/394817647.db2.gz XAWHAEOZFCLJLO-ATLSCFEFSA-N 2 1 287.451 2.410 20 0 CEADMP Cc1csc(N2CCC([NH2+][C@@H]3CCC[NH2+][C@H]3C)CC2)n1 ZINC000414950034 394819437 /nfs/dbraw/zinc/81/94/37/394819437.db2.gz HBMUQJQVEMGKLW-GXTWGEPZSA-N 2 1 294.468 2.150 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414952725 394821879 /nfs/dbraw/zinc/82/18/79/394821879.db2.gz ITOZMGWCZFMPHH-XHDPSFHLSA-N 2 1 278.444 2.343 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000414697679 394749687 /nfs/dbraw/zinc/74/96/87/394749687.db2.gz CQQFDLAOKCIKIE-ZOBUZTSGSA-N 2 1 279.472 2.309 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422738828 394749788 /nfs/dbraw/zinc/74/97/88/394749788.db2.gz KCMILRKGLBHBQD-XHSDSOJGSA-N 2 1 267.461 2.371 20 0 CEADMP Cc1ccc(CCC[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cn1 ZINC000415048006 394863750 /nfs/dbraw/zinc/86/37/50/394863750.db2.gz BMQOKILHLAGRQL-CZUORRHYSA-N 2 1 261.413 2.239 20 0 CEADMP C[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1c[nH+]ccc1N ZINC000422928851 394865509 /nfs/dbraw/zinc/86/55/09/394865509.db2.gz MZHVHEIDTXHDHG-SNVBAGLBSA-N 2 1 292.770 2.272 20 0 CEADMP C[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C[C@@H](O)C[NH3+] ZINC000415056801 394867139 /nfs/dbraw/zinc/86/71/39/394867139.db2.gz OOQRPEAXSKJXCC-VIFPVBQESA-N 2 1 296.720 2.110 20 0 CEADMP C[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C[C@@H](O)C[NH3+] ZINC000415056801 394867142 /nfs/dbraw/zinc/86/71/42/394867142.db2.gz OOQRPEAXSKJXCC-VIFPVBQESA-N 2 1 296.720 2.110 20 0 CEADMP Cc1ccccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415057125 394867432 /nfs/dbraw/zinc/86/74/32/394867432.db2.gz QYCDDGZEKZZOIV-UHFFFAOYSA-N 2 1 287.451 2.301 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000415088662 394884995 /nfs/dbraw/zinc/88/49/95/394884995.db2.gz WPBUTVGIURDDLY-QGZVFWFLSA-N 2 1 286.423 2.394 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCSC1 ZINC000336703989 394870583 /nfs/dbraw/zinc/87/05/83/394870583.db2.gz LSEORDZKSIWKSG-LBPRGKRZSA-N 2 1 254.443 2.346 20 0 CEADMP CC[C@H](O)[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000336803107 394873610 /nfs/dbraw/zinc/87/36/10/394873610.db2.gz XCKWYTMLUMWFFZ-CABCVRRESA-N 2 1 265.401 2.207 20 0 CEADMP CC[C@H](O)[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000336803107 394873611 /nfs/dbraw/zinc/87/36/11/394873611.db2.gz XCKWYTMLUMWFFZ-CABCVRRESA-N 2 1 265.401 2.207 20 0 CEADMP Cc1cccn2c(C[NH2+][C@H](C[NH3+])C3CCCC3)cnc12 ZINC000415069721 394874218 /nfs/dbraw/zinc/87/42/18/394874218.db2.gz TVQHZMGISZEXGO-OAHLLOKOSA-N 2 1 272.396 2.250 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000336804173 394876603 /nfs/dbraw/zinc/87/66/03/394876603.db2.gz NBZZSDFVOHFQQJ-AWEZNQCLSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000336804173 394876605 /nfs/dbraw/zinc/87/66/05/394876605.db2.gz NBZZSDFVOHFQQJ-AWEZNQCLSA-N 2 1 265.401 2.471 20 0 CEADMP CC(C)C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000129979180 394878635 /nfs/dbraw/zinc/87/86/35/394878635.db2.gz BSDWSTINTKHLTM-RRFJBIMHSA-N 2 1 255.450 2.035 20 0 CEADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1OC ZINC000415081880 394880309 /nfs/dbraw/zinc/88/03/09/394880309.db2.gz COLNYDBNLYTKTD-NEPJUHHUSA-N 2 1 296.386 2.493 20 0 CEADMP CCCCN1CCC([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000415082200 394880705 /nfs/dbraw/zinc/88/07/05/394880705.db2.gz LNYXIWFVAZOZEG-GJZGRUSLSA-N 2 1 267.461 2.229 20 0 CEADMP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1OC ZINC000422847275 394826698 /nfs/dbraw/zinc/82/66/98/394826698.db2.gz RBWKKLKGAVWCIB-CHWSQXEVSA-N 2 1 264.369 2.063 20 0 CEADMP CC(C)(C)n1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cn1 ZINC000414979136 394834554 /nfs/dbraw/zinc/83/45/54/394834554.db2.gz VBPSDSHLVHJKPV-CYBMUJFWSA-N 2 1 264.417 2.116 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000415005344 394845419 /nfs/dbraw/zinc/84/54/19/394845419.db2.gz JFAUVKHNGSAQMW-SFYZADRCSA-N 2 1 275.165 2.414 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000415007794 394846068 /nfs/dbraw/zinc/84/60/68/394846068.db2.gz DEXVNMGWEVITTE-TTZDDIAXSA-N 2 1 261.413 2.147 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422883811 394848293 /nfs/dbraw/zinc/84/82/93/394848293.db2.gz CXRQJLJRYIZFCV-WCVJEAGWSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422883811 394848295 /nfs/dbraw/zinc/84/82/95/394848295.db2.gz CXRQJLJRYIZFCV-WCVJEAGWSA-N 2 1 267.461 2.227 20 0 CEADMP COCCC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CCCC1 ZINC000422889638 394852055 /nfs/dbraw/zinc/85/20/55/394852055.db2.gz QAHCOUUZQLOQRL-KGLIPLIRSA-N 2 1 254.418 2.171 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422902868 394856007 /nfs/dbraw/zinc/85/60/07/394856007.db2.gz DVAVUNHLERXRFX-ARFHVFGLSA-N 2 1 281.488 2.475 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CN[C@@H](C)C2C[NH2+]C2)C1 ZINC000422904313 394857065 /nfs/dbraw/zinc/85/70/65/394857065.db2.gz GUEDVXHJSDAAMD-KBPBESRZSA-N 2 1 267.461 2.085 20 0 CEADMP COc1ccc(COCCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422910052 394859412 /nfs/dbraw/zinc/85/94/12/394859412.db2.gz POQKMAKYJRDVAJ-PBHICJAKSA-N 2 1 292.423 2.190 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422913059 394860396 /nfs/dbraw/zinc/86/03/96/394860396.db2.gz XOHUPDYHJYBQMZ-NXHRZFHOSA-N 2 1 289.467 2.409 20 0 CEADMP CC(C)OCCC[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000337080297 394884573 /nfs/dbraw/zinc/88/45/73/394884573.db2.gz VFGVLNCQFFCVFJ-IRXDYDNUSA-N 2 1 276.424 2.476 20 0 CEADMP CC1CCC(O)(C[N@@H+](C)CCC[NH+]2CCCC2)CC1 ZINC000337243320 394886790 /nfs/dbraw/zinc/88/67/90/394886790.db2.gz HQQIZIKPSUQURY-UHFFFAOYSA-N 2 1 268.445 2.345 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CCO[C@@H]1c1ccnn1C(C)C ZINC000415093197 394886791 /nfs/dbraw/zinc/88/67/91/394886791.db2.gz BZHOPUVARARCAI-DZKIICNBSA-N 2 1 294.443 2.257 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423245093 394888814 /nfs/dbraw/zinc/88/88/14/394888814.db2.gz INRSEOOSRQOJEL-BPQIPLTHSA-N 3 1 287.451 2.411 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423245093 394888820 /nfs/dbraw/zinc/88/88/20/394888820.db2.gz INRSEOOSRQOJEL-BPQIPLTHSA-N 3 1 287.451 2.411 20 0 CEADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)CC2 ZINC000423313190 394889806 /nfs/dbraw/zinc/88/98/06/394889806.db2.gz FIWSUAOBUVJTQJ-KGLIPLIRSA-N 2 1 276.380 2.018 20 0 CEADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](C/C=C\c3ccccc3)C2)nn1 ZINC000415120508 394896572 /nfs/dbraw/zinc/89/65/72/394896572.db2.gz GDTAJXYOSNZZIA-RLXIPRIJSA-N 2 1 297.406 2.087 20 0 CEADMP COCCOc1ccccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415123176 394898007 /nfs/dbraw/zinc/89/80/07/394898007.db2.gz JDFLMZMJBPYQRY-GOEBONIOSA-N 2 1 292.423 2.129 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423350594 394898397 /nfs/dbraw/zinc/89/83/97/394898397.db2.gz ZVBIDECSRXXRJV-QFBILLFUSA-N 3 1 299.462 2.406 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423350594 394898399 /nfs/dbraw/zinc/89/83/99/394898399.db2.gz ZVBIDECSRXXRJV-QFBILLFUSA-N 2 1 299.462 2.406 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)cn1 ZINC000423362537 394901321 /nfs/dbraw/zinc/90/13/21/394901321.db2.gz BEIBOLUZZJPYMM-WCFLWFBJSA-N 2 1 251.349 2.259 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423365699 394902515 /nfs/dbraw/zinc/90/25/15/394902515.db2.gz PKWPVRTTZVWGEV-JKJDWNRSSA-N 2 1 266.429 2.169 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423366372 394902609 /nfs/dbraw/zinc/90/26/09/394902609.db2.gz CNTMBQPZQJWSID-CJNGLKHVSA-N 2 1 289.423 2.311 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000423367765 394903554 /nfs/dbraw/zinc/90/35/54/394903554.db2.gz DQFPMMCBBMQYCK-AHCXZYCDSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CN1Cc1ccccc1 ZINC000423367765 394903558 /nfs/dbraw/zinc/90/35/58/394903558.db2.gz DQFPMMCBBMQYCK-AHCXZYCDSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423376182 394906665 /nfs/dbraw/zinc/90/66/65/394906665.db2.gz KUQANWPTBRXWEN-NWANDNLSSA-N 2 1 260.381 2.110 20 0 CEADMP CC[NH2+][C@H](C)CN[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423391973 394911606 /nfs/dbraw/zinc/91/16/06/394911606.db2.gz XDOGZDPTLHKWNM-VYDXJSESSA-N 2 1 275.440 2.237 20 0 CEADMP Cn1cc(-c2ccc(C[NH2+]CCC[NH+](C)C)s2)cn1 ZINC000282293698 394915923 /nfs/dbraw/zinc/91/59/23/394915923.db2.gz QRTIGHMALYUEQS-UHFFFAOYSA-N 2 1 278.425 2.190 20 0 CEADMP CCOc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OCC ZINC000423420951 394918002 /nfs/dbraw/zinc/91/80/02/394918002.db2.gz BYELZNPSBOTNIF-HVOFVXBASA-N 2 1 290.407 2.352 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]([NH3+])CC2CCCCC2)CC[N@H+]1C ZINC000423430842 394920818 /nfs/dbraw/zinc/92/08/18/394920818.db2.gz UPYRIHCFSWSFBK-FVQBIDKESA-N 2 1 295.471 2.225 20 0 CEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(OC(F)F)cc1 ZINC000423442628 394922478 /nfs/dbraw/zinc/92/24/78/394922478.db2.gz VDJJXOVQFSCNOC-HWNAMQAFSA-N 2 1 268.307 2.156 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423499251 394936239 /nfs/dbraw/zinc/93/62/39/394936239.db2.gz JEQNVVLJOQUDFF-XWIAVFTESA-N 2 1 287.451 2.321 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1C ZINC000423500074 394937291 /nfs/dbraw/zinc/93/72/91/394937291.db2.gz CSRQUOMJFHDLAP-ZBFHGGJFSA-N 2 1 262.397 2.333 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CCC2(CCCCC2)CC1 ZINC000423503429 394938195 /nfs/dbraw/zinc/93/81/95/394938195.db2.gz FPAUWYIFRYRZBM-MRXNPFEDSA-N 2 1 279.472 2.373 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cn1 ZINC000423503109 394938537 /nfs/dbraw/zinc/93/85/37/394938537.db2.gz MOJIQWKEENRIHF-SWLSCSKDSA-N 2 1 277.412 2.128 20 0 CEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(CO)c1 ZINC000423505218 394939538 /nfs/dbraw/zinc/93/95/38/394939538.db2.gz OBMOWBBZSAVETN-WBMJQRKESA-N 2 1 262.397 2.347 20 0 CEADMP C[C@@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)C[N@H+]1C1CC1 ZINC000366285617 394941927 /nfs/dbraw/zinc/94/19/27/394941927.db2.gz QXKMZKZUBUJBBR-HCEZTOJASA-N 2 1 277.456 2.218 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CC2)C[C@@H]1c1ccccc1 ZINC000340391140 394984932 /nfs/dbraw/zinc/98/49/32/394984932.db2.gz RIGYWNKOIGOTEQ-FGTMMUONSA-N 2 1 288.435 2.430 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CC2)C[C@@H]1c1ccccc1 ZINC000340391140 394984934 /nfs/dbraw/zinc/98/49/34/394984934.db2.gz RIGYWNKOIGOTEQ-FGTMMUONSA-N 2 1 288.435 2.430 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC12CCOCC2 ZINC000369205985 394996520 /nfs/dbraw/zinc/99/65/20/394996520.db2.gz LFMGAXMOQDYYNG-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC12CCOCC2 ZINC000369205985 394996523 /nfs/dbraw/zinc/99/65/23/394996523.db2.gz LFMGAXMOQDYYNG-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP Cc1ccc2ncc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)n2c1 ZINC000370895625 395021729 /nfs/dbraw/zinc/02/17/29/395021729.db2.gz PRAMQZRHWNIWDN-CABCVRRESA-N 2 1 284.407 2.359 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)n2c1 ZINC000370895625 395021735 /nfs/dbraw/zinc/02/17/35/395021735.db2.gz PRAMQZRHWNIWDN-CABCVRRESA-N 2 1 284.407 2.359 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)n2c1 ZINC000370895625 395021736 /nfs/dbraw/zinc/02/17/36/395021736.db2.gz PRAMQZRHWNIWDN-CABCVRRESA-N 2 1 284.407 2.359 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CCO1 ZINC000339429269 394960166 /nfs/dbraw/zinc/96/01/66/394960166.db2.gz RDMPRPXBQSRXDI-PMPSAXMXSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)CCO1 ZINC000339429269 394960168 /nfs/dbraw/zinc/96/01/68/394960168.db2.gz RDMPRPXBQSRXDI-PMPSAXMXSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCO1 ZINC000339429269 394960169 /nfs/dbraw/zinc/96/01/69/394960169.db2.gz RDMPRPXBQSRXDI-PMPSAXMXSA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000415911561 394976059 /nfs/dbraw/zinc/97/60/59/394976059.db2.gz YFJUBPVIOWCPAC-HNNXBMFYSA-N 2 1 290.411 2.012 20 0 CEADMP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340203407 394980084 /nfs/dbraw/zinc/98/00/84/394980084.db2.gz MZIQEULNINZMAJ-PVAVHDDUSA-N 2 1 299.422 2.092 20 0 CEADMP C[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340203407 394980088 /nfs/dbraw/zinc/98/00/88/394980088.db2.gz MZIQEULNINZMAJ-PVAVHDDUSA-N 2 1 299.422 2.092 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H](C)CCn1cccn1)[NH+]1CCCC1 ZINC000158623794 395050585 /nfs/dbraw/zinc/05/05/85/395050585.db2.gz NHDMBOAYHYRPJN-HOTGVXAUSA-N 2 1 278.444 2.372 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(OC2CCOCC2)CC1 ZINC000161988720 395068531 /nfs/dbraw/zinc/06/85/31/395068531.db2.gz YXAKHLSKSXAYDS-OAHLLOKOSA-N 2 1 296.455 2.131 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CC1)C1CC1 ZINC000289472073 395078313 /nfs/dbraw/zinc/07/83/13/395078313.db2.gz HKEZTSPRXTTXLL-DLBZAZTESA-N 2 1 274.408 2.182 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CC1)C1CC1 ZINC000289472073 395078315 /nfs/dbraw/zinc/07/83/15/395078315.db2.gz HKEZTSPRXTTXLL-DLBZAZTESA-N 2 1 274.408 2.182 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H]1CSC1(C)C ZINC000374790956 395086860 /nfs/dbraw/zinc/08/68/60/395086860.db2.gz BPHFQJDVFBPIQA-QPSCCSFWSA-N 2 1 298.496 2.359 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H]1CSC1(C)C ZINC000374790956 395086864 /nfs/dbraw/zinc/08/68/64/395086864.db2.gz BPHFQJDVFBPIQA-QPSCCSFWSA-N 2 1 298.496 2.359 20 0 CEADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000170745727 395092101 /nfs/dbraw/zinc/09/21/01/395092101.db2.gz CBZSYXLDZNBIJM-GOEBONIOSA-N 2 1 291.439 2.136 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000170745727 395092105 /nfs/dbraw/zinc/09/21/05/395092105.db2.gz CBZSYXLDZNBIJM-GOEBONIOSA-N 2 1 291.439 2.136 20 0 CEADMP COCCc1ccnc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000287369414 395039069 /nfs/dbraw/zinc/03/90/69/395039069.db2.gz HRWHIBSHBTXKJZ-GJZGRUSLSA-N 2 1 275.396 2.309 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000343632788 395042548 /nfs/dbraw/zinc/04/25/48/395042548.db2.gz CUSBDNZZZRLOGZ-FPCVCCKLSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000343632788 395042551 /nfs/dbraw/zinc/04/25/51/395042551.db2.gz CUSBDNZZZRLOGZ-FPCVCCKLSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000343632788 395042553 /nfs/dbraw/zinc/04/25/53/395042553.db2.gz CUSBDNZZZRLOGZ-FPCVCCKLSA-N 2 1 267.461 2.037 20 0 CEADMP Fc1cccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428042793 395134343 /nfs/dbraw/zinc/13/43/43/395134343.db2.gz WMFLFPOSWPJIOM-GDBMZVCRSA-N 2 1 262.372 2.442 20 0 CEADMP C[C@H]1COCC[N@@H+](CCCCC[NH+]2CCOC[C@@H](C)C2)C1 ZINC000378284131 395153819 /nfs/dbraw/zinc/15/38/19/395153819.db2.gz FDBHYEDQKHAFMC-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP C[C@H]1COCC[NH+](CCCCC[N@@H+]2CCOC[C@@H](C)C2)C1 ZINC000378284131 395153822 /nfs/dbraw/zinc/15/38/22/395153822.db2.gz FDBHYEDQKHAFMC-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP C[C@H]1COCC[NH+](CCCCC[N@H+]2CCOC[C@@H](C)C2)C1 ZINC000378284131 395153825 /nfs/dbraw/zinc/15/38/25/395153825.db2.gz FDBHYEDQKHAFMC-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC000382137770 395178857 /nfs/dbraw/zinc/17/88/57/395178857.db2.gz CLCLZQKUCFGZPM-OAHLLOKOSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC2CCOCC2)C1 ZINC000382137770 395178862 /nfs/dbraw/zinc/17/88/62/395178862.db2.gz CLCLZQKUCFGZPM-OAHLLOKOSA-N 2 1 254.418 2.266 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000519831225 395226457 /nfs/dbraw/zinc/22/64/57/395226457.db2.gz COKUUUPHXXTGHE-WTTBNOFXSA-N 2 1 271.408 2.497 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000519831225 395226460 /nfs/dbraw/zinc/22/64/60/395226460.db2.gz COKUUUPHXXTGHE-WTTBNOFXSA-N 2 1 271.408 2.497 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000182133032 395234216 /nfs/dbraw/zinc/23/42/16/395234216.db2.gz GKFSSXKLQIWYEA-KLHDSHLOSA-N 2 1 296.455 2.381 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000352065410 395244656 /nfs/dbraw/zinc/24/46/56/395244656.db2.gz KXUQFCQEKYVFEK-KKUMJFAQSA-N 2 1 283.460 2.094 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000352128796 395245989 /nfs/dbraw/zinc/24/59/89/395245989.db2.gz IHUIRAFDUKHYKX-UONOGXRCSA-N 2 1 295.427 2.165 20 0 CEADMP C[NH2+]CCCN1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000382717463 395183007 /nfs/dbraw/zinc/18/30/07/395183007.db2.gz HISFTYQQBGSPON-INIZCTEOSA-N 2 1 275.440 2.192 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000382677154 395183671 /nfs/dbraw/zinc/18/36/71/395183671.db2.gz ZCBNLESHNBTMOP-QGZVFWFLSA-N 2 1 279.472 2.326 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000382677154 395183672 /nfs/dbraw/zinc/18/36/72/395183672.db2.gz ZCBNLESHNBTMOP-QGZVFWFLSA-N 2 1 279.472 2.326 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)CC1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000517130641 395188476 /nfs/dbraw/zinc/18/84/76/395188476.db2.gz XKAPAQSPKOEXQI-CZUORRHYSA-N 2 1 266.429 2.168 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]CC[C@@H]1CCOC1 ZINC000437982611 395201981 /nfs/dbraw/zinc/20/19/81/395201981.db2.gz FEGRMBUXOPVISB-LSDHHAIUSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]CC[C@@H]1CCOC1 ZINC000438183625 395209387 /nfs/dbraw/zinc/20/93/87/395209387.db2.gz AEVWJAODTJNLCE-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]CC[C@@H]1CCOC1 ZINC000438183625 395209393 /nfs/dbraw/zinc/20/93/93/395209393.db2.gz AEVWJAODTJNLCE-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP CCCn1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cn1 ZINC000397298971 395221083 /nfs/dbraw/zinc/22/10/83/395221083.db2.gz CMMHDRQSILLDBF-YDHLFZDLSA-N 2 1 264.417 2.098 20 0 CEADMP C[N@@H+](C[C@@H](O)C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353156861 395288864 /nfs/dbraw/zinc/28/88/64/395288864.db2.gz SSULBSSGPURXRJ-FCLJQHQZSA-N 2 1 280.456 2.485 20 0 CEADMP C[NH+](C[C@@H](O)C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353156861 395288873 /nfs/dbraw/zinc/28/88/73/395288873.db2.gz SSULBSSGPURXRJ-FCLJQHQZSA-N 2 1 280.456 2.485 20 0 CEADMP C[NH+](C[C@@H](O)C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353156861 395288879 /nfs/dbraw/zinc/28/88/79/395288879.db2.gz SSULBSSGPURXRJ-FCLJQHQZSA-N 2 1 280.456 2.485 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420322334 395326178 /nfs/dbraw/zinc/32/61/78/395326178.db2.gz DRUUOHXMYAWXRI-CHWSQXEVSA-N 2 1 294.361 2.277 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000420294363 395300432 /nfs/dbraw/zinc/30/04/32/395300432.db2.gz SNVDJQWILBIUAD-WDEREUQCSA-N 2 1 282.409 2.094 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000420294363 395300435 /nfs/dbraw/zinc/30/04/35/395300435.db2.gz SNVDJQWILBIUAD-WDEREUQCSA-N 2 1 282.409 2.094 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C(C)C ZINC000440133632 395302226 /nfs/dbraw/zinc/30/22/26/395302226.db2.gz QIYYLXUDYVUFJX-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC000440133632 395302232 /nfs/dbraw/zinc/30/22/32/395302232.db2.gz QIYYLXUDYVUFJX-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC000440133632 395302235 /nfs/dbraw/zinc/30/22/35/395302235.db2.gz QIYYLXUDYVUFJX-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CCOCC2CC2)cc1 ZINC000420297534 395304431 /nfs/dbraw/zinc/30/44/31/395304431.db2.gz GDUDOERWDSBMHU-MRXNPFEDSA-N 2 1 292.423 2.096 20 0 CEADMP C[C@H]1CCC[C@@H]([N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420298445 395304576 /nfs/dbraw/zinc/30/45/76/395304576.db2.gz FHKXNAWKLAKIFJ-RANZSIQMSA-N 2 1 290.451 2.428 20 0 CEADMP C[C@H]1CCC[C@@H]([N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420298445 395304579 /nfs/dbraw/zinc/30/45/79/395304579.db2.gz FHKXNAWKLAKIFJ-RANZSIQMSA-N 2 1 290.451 2.428 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000420300303 395305743 /nfs/dbraw/zinc/30/57/43/395305743.db2.gz CGDLTUPKYAAXBV-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000420300303 395305747 /nfs/dbraw/zinc/30/57/47/395305747.db2.gz CGDLTUPKYAAXBV-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP CC1=CCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353667633 395306055 /nfs/dbraw/zinc/30/60/55/395306055.db2.gz CNWWAZZDSRPIIN-GVDBMIGSSA-N 2 1 277.456 2.101 20 0 CEADMP CC1=CC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353667633 395306060 /nfs/dbraw/zinc/30/60/60/395306060.db2.gz CNWWAZZDSRPIIN-GVDBMIGSSA-N 2 1 277.456 2.101 20 0 CEADMP CC1=CC[NH+](CCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353667633 395306063 /nfs/dbraw/zinc/30/60/63/395306063.db2.gz CNWWAZZDSRPIIN-GVDBMIGSSA-N 2 1 277.456 2.101 20 0 CEADMP CC1=CC[N@H+](CCN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353667633 395306068 /nfs/dbraw/zinc/30/60/68/395306068.db2.gz CNWWAZZDSRPIIN-GVDBMIGSSA-N 2 1 277.456 2.101 20 0 CEADMP CC1=CC[N@@H+](CCN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353667633 395306072 /nfs/dbraw/zinc/30/60/72/395306072.db2.gz CNWWAZZDSRPIIN-GVDBMIGSSA-N 2 1 277.456 2.101 20 0 CEADMP C[C@@H](O)C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000420304439 395309531 /nfs/dbraw/zinc/30/95/31/395309531.db2.gz OMCCMMLCTKXXCN-HUUCEWRRSA-N 2 1 268.445 2.392 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CSC[C@@H]2C)cn1 ZINC000296241922 395312395 /nfs/dbraw/zinc/31/23/95/395312395.db2.gz CRDVGEAGWRHFQN-FZMZJTMJSA-N 2 1 288.420 2.417 20 0 CEADMP Cc1ccccc1CCC[N@H+](C)C1CCN(CCO)CC1 ZINC000440330843 395312732 /nfs/dbraw/zinc/31/27/32/395312732.db2.gz ZZISNFOGADIMCA-UHFFFAOYSA-N 2 1 290.451 2.316 20 0 CEADMP NCC[N@@H+](CCCc1ccncc1)Cc1ccccc1 ZINC000420311221 395315268 /nfs/dbraw/zinc/31/52/68/395315268.db2.gz QQOFYKMUINPGGK-UHFFFAOYSA-N 2 1 269.392 2.475 20 0 CEADMP Fc1cccc([C@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)c1 ZINC000420312706 395316399 /nfs/dbraw/zinc/31/63/99/395316399.db2.gz XBDWGJSBFQIKOZ-XJKSGUPXSA-N 2 1 278.371 2.199 20 0 CEADMP Fc1cccc([C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)c1 ZINC000420312706 395316402 /nfs/dbraw/zinc/31/64/02/395316402.db2.gz XBDWGJSBFQIKOZ-XJKSGUPXSA-N 2 1 278.371 2.199 20 0 CEADMP Fc1ccc([C@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1F ZINC000420312831 395317157 /nfs/dbraw/zinc/31/71/57/395317157.db2.gz XJDMGYRXSKUWPS-BLLLJJGKSA-N 2 1 296.361 2.338 20 0 CEADMP Fc1ccc([C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1F ZINC000420312831 395317159 /nfs/dbraw/zinc/31/71/59/395317159.db2.gz XJDMGYRXSKUWPS-BLLLJJGKSA-N 2 1 296.361 2.338 20 0 CEADMP CCC[N@@H+](CC[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000420313679 395318545 /nfs/dbraw/zinc/31/85/45/395318545.db2.gz JHMSXEKQKCODIF-HNNXBMFYSA-N 2 1 254.418 2.410 20 0 CEADMP COC(=O)c1ccccc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420317899 395320276 /nfs/dbraw/zinc/32/02/76/395320276.db2.gz PDMPDURIUZTURM-CQSZACIVSA-N 2 1 276.380 2.177 20 0 CEADMP COC(=O)c1ccccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420317899 395320279 /nfs/dbraw/zinc/32/02/79/395320279.db2.gz PDMPDURIUZTURM-CQSZACIVSA-N 2 1 276.380 2.177 20 0 CEADMP COc1ccc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000420315321 395320481 /nfs/dbraw/zinc/32/04/81/395320481.db2.gz LRESBFSQQMLTFN-ZDUSSCGKSA-N 2 1 278.396 2.135 20 0 CEADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000352770091 395267974 /nfs/dbraw/zinc/26/79/74/395267974.db2.gz QJTXNZLHWGDCIH-IAGOWNOFSA-N 2 1 281.488 2.382 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420321670 395324004 /nfs/dbraw/zinc/32/40/04/395324004.db2.gz RLCXPRPNECPTKB-RDBSUJKOSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420321670 395324009 /nfs/dbraw/zinc/32/40/09/395324009.db2.gz RLCXPRPNECPTKB-RDBSUJKOSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1cccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420320326 395324170 /nfs/dbraw/zinc/32/41/70/395324170.db2.gz BILCROUKBPKAFL-KRWDZBQOSA-N 2 1 288.435 2.436 20 0 CEADMP C[N@@H+](C[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921774 395276563 /nfs/dbraw/zinc/27/65/63/395276563.db2.gz LPFMPSZJTDFPTE-IXXDHKBRSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](C[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921774 395276568 /nfs/dbraw/zinc/27/65/68/395276568.db2.gz LPFMPSZJTDFPTE-IXXDHKBRSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](C[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921774 395276570 /nfs/dbraw/zinc/27/65/70/395276570.db2.gz LPFMPSZJTDFPTE-IXXDHKBRSA-N 2 1 252.402 2.113 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1ccc(F)cc1 ZINC000420369183 395355518 /nfs/dbraw/zinc/35/55/18/395355518.db2.gz URTIGVBENZRSJW-CYBMUJFWSA-N 2 1 254.349 2.168 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420377120 395362339 /nfs/dbraw/zinc/36/23/39/395362339.db2.gz KROUNOWUASTLKP-XJKSGUPXSA-N 2 1 285.395 2.135 20 0 CEADMP C[C@H]1CC[N@@H+](CCN(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000420404581 395372933 /nfs/dbraw/zinc/37/29/33/395372933.db2.gz MFMJUWJMRSAVTJ-LSDHHAIUSA-N 2 1 261.413 2.040 20 0 CEADMP c1ccc(C[N@H+](C[C@H]2CCOC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435626643 395380510 /nfs/dbraw/zinc/38/05/10/395380510.db2.gz LIYUQKLFNQXFPL-NVXWUHKLSA-N 2 1 289.423 2.062 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000435882099 395394627 /nfs/dbraw/zinc/39/46/27/395394627.db2.gz XBVDBOFYZQIZHZ-OAHLLOKOSA-N 2 1 250.361 2.442 20 0 CEADMP CC[N@@H+](CCN1CC[NH2+]CC1)[C@@H](C)c1ccc(F)cc1 ZINC000420328395 395329933 /nfs/dbraw/zinc/32/99/33/395329933.db2.gz ZHYPSBQJZYZGCB-AWEZNQCLSA-N 2 1 279.403 2.114 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331078 395330779 /nfs/dbraw/zinc/33/07/79/395330779.db2.gz QOXULIPIPUUKSW-CABCVRRESA-N 2 1 282.428 2.041 20 0 CEADMP CC(C)n1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420329179 395331410 /nfs/dbraw/zinc/33/14/10/395331410.db2.gz NTZWJWLTQHDCGL-HUUCEWRRSA-N 2 1 276.428 2.286 20 0 CEADMP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000420341832 395336316 /nfs/dbraw/zinc/33/63/16/395336316.db2.gz QJFSHDWZHXBYED-DOMZBBRYSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000420341832 395336322 /nfs/dbraw/zinc/33/63/22/395336322.db2.gz QJFSHDWZHXBYED-DOMZBBRYSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420358836 395346721 /nfs/dbraw/zinc/34/67/21/395346721.db2.gz VAAXRAJHZWACQJ-WCBMZHEXSA-N 2 1 277.195 2.306 20 0 CEADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420358836 395346726 /nfs/dbraw/zinc/34/67/26/395346726.db2.gz VAAXRAJHZWACQJ-WCBMZHEXSA-N 2 1 277.195 2.306 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)CC1([NH+](C)C)CCC1 ZINC000445858464 395473372 /nfs/dbraw/zinc/47/33/72/395473372.db2.gz DFWYCHKYZWMNFC-OAHLLOKOSA-N 2 1 267.461 2.277 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000193123461 395403313 /nfs/dbraw/zinc/40/33/13/395403313.db2.gz DGWTXCIZYYVYLH-ZIAGYGMSSA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CC[C@H](C)[NH3+])c1 ZINC000193304005 395405310 /nfs/dbraw/zinc/40/53/10/395405310.db2.gz RAALDHXZPQDEAI-AWEZNQCLSA-N 2 1 291.439 2.270 20 0 CEADMP C[C@H]([NH3+])CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000193291591 395405541 /nfs/dbraw/zinc/40/55/41/395405541.db2.gz XBEOLPBLPJENMQ-FZMZJTMJSA-N 2 1 297.830 2.186 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000444613657 395439767 /nfs/dbraw/zinc/43/97/67/395439767.db2.gz WCKZNANMQJNLNF-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444613657 395439769 /nfs/dbraw/zinc/43/97/69/395439769.db2.gz WCKZNANMQJNLNF-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000444613657 395439771 /nfs/dbraw/zinc/43/97/71/395439771.db2.gz WCKZNANMQJNLNF-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP [NH3+]CCC[N@@H+](CCOC[C@H]1CCCO1)CC1CCCC1 ZINC000567889625 395539627 /nfs/dbraw/zinc/53/96/27/395539627.db2.gz DDXGIJSKPOYSEN-MRXNPFEDSA-N 2 1 284.444 2.023 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2cccnc2)C1 ZINC000567896081 395540278 /nfs/dbraw/zinc/54/02/78/395540278.db2.gz MMPJJWKGCWMJEC-JKSUJKDBSA-N 2 1 259.397 2.355 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000567896081 395540280 /nfs/dbraw/zinc/54/02/80/395540280.db2.gz MMPJJWKGCWMJEC-JKSUJKDBSA-N 2 1 259.397 2.355 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000567896081 395540282 /nfs/dbraw/zinc/54/02/82/395540282.db2.gz MMPJJWKGCWMJEC-JKSUJKDBSA-N 2 1 259.397 2.355 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000565541886 395475190 /nfs/dbraw/zinc/47/51/90/395475190.db2.gz BGSLIDOVKNYWKH-HUUCEWRRSA-N 2 1 287.451 2.247 20 0 CEADMP CCN1C[C@@H](C)[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000565541886 395475191 /nfs/dbraw/zinc/47/51/91/395475191.db2.gz BGSLIDOVKNYWKH-HUUCEWRRSA-N 2 1 287.451 2.247 20 0 CEADMP CCN1C[C@@H](C)[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000565541886 395475192 /nfs/dbraw/zinc/47/51/92/395475192.db2.gz BGSLIDOVKNYWKH-HUUCEWRRSA-N 2 1 287.451 2.247 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000565906091 395490425 /nfs/dbraw/zinc/49/04/25/395490425.db2.gz WVNWYJDMRKIFFQ-BFHYXJOUSA-N 2 1 262.401 2.308 20 0 CEADMP CC[C@@H]1c2ccsc2CCN1C[C@@H](O)C[N@@H+](C)CC ZINC000565988892 395493464 /nfs/dbraw/zinc/49/34/64/395493464.db2.gz LFXJGIBMIJYJRZ-GXTWGEPZSA-N 2 1 282.453 2.370 20 0 CEADMP Cc1cnccc1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000568386349 395556824 /nfs/dbraw/zinc/55/68/24/395556824.db2.gz LGSRRGYPNDRRFA-SJPCQFCGSA-N 2 1 273.424 2.490 20 0 CEADMP Cc1cnccc1CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000568386349 395556825 /nfs/dbraw/zinc/55/68/25/395556825.db2.gz LGSRRGYPNDRRFA-SJPCQFCGSA-N 2 1 273.424 2.490 20 0 CEADMP Cc1cnccc1CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000568386349 395556827 /nfs/dbraw/zinc/55/68/27/395556827.db2.gz LGSRRGYPNDRRFA-SJPCQFCGSA-N 2 1 273.424 2.490 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC1(Cc2ccccc2)CC1)C1CC1 ZINC000568383938 395556846 /nfs/dbraw/zinc/55/68/46/395556846.db2.gz PFWWQNYIBIOKCE-QGZVFWFLSA-N 2 1 288.435 2.054 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(Cc2ccccc2)CC1)C1CC1 ZINC000568383938 395556848 /nfs/dbraw/zinc/55/68/48/395556848.db2.gz PFWWQNYIBIOKCE-QGZVFWFLSA-N 2 1 288.435 2.054 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc1)C(C)C ZINC000449597953 395556955 /nfs/dbraw/zinc/55/69/55/395556955.db2.gz AILCXSLILLNDKN-ZIAGYGMSSA-N 2 1 291.439 2.382 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000574904588 395640637 /nfs/dbraw/zinc/64/06/37/395640637.db2.gz JOEHFIRRWRPNHI-ZDUSSCGKSA-N 2 1 291.374 2.014 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccn(C3CCCC3)n2)C1 ZINC000575002337 395644084 /nfs/dbraw/zinc/64/40/84/395644084.db2.gz GGBHHLMIGZKKNR-OLZOCXBDSA-N 2 1 262.401 2.358 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNCc2ccc3c(n2)CCC3)C1 ZINC000575014889 395644231 /nfs/dbraw/zinc/64/42/31/395644231.db2.gz OCINNICYZWYPBS-AWEZNQCLSA-N 2 1 273.424 2.390 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000575014889 395644232 /nfs/dbraw/zinc/64/42/32/395644232.db2.gz OCINNICYZWYPBS-AWEZNQCLSA-N 2 1 273.424 2.390 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000575014889 395644234 /nfs/dbraw/zinc/64/42/34/395644234.db2.gz OCINNICYZWYPBS-AWEZNQCLSA-N 2 1 273.424 2.390 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CCCC1 ZINC000493883909 395677575 /nfs/dbraw/zinc/67/75/75/395677575.db2.gz TUUPEPHTBGFGRU-QLFBSQMISA-N 2 1 278.440 2.408 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cn[nH]c1 ZINC000647344497 395706971 /nfs/dbraw/zinc/70/69/71/395706971.db2.gz RTMGCFKRHHBUQZ-XYPHTWIQSA-N 2 1 284.407 2.406 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cn[nH]c1 ZINC000647344497 395706972 /nfs/dbraw/zinc/70/69/72/395706972.db2.gz RTMGCFKRHHBUQZ-XYPHTWIQSA-N 2 1 284.407 2.406 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000647509930 395724316 /nfs/dbraw/zinc/72/43/16/395724316.db2.gz YIDHDXDMSFLYSK-JSGCOSHPSA-N 2 1 255.365 2.404 20 0 CEADMP COCC(C)(C)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479288 395719778 /nfs/dbraw/zinc/71/97/78/395719778.db2.gz ANHWMMHPNBRWGN-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000647493350 395721064 /nfs/dbraw/zinc/72/10/64/395721064.db2.gz HHXDIBZGUMMIAV-AWEZNQCLSA-N 2 1 255.365 2.276 20 0 CEADMP CCCCOCCOCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000152133100 289077907 /nfs/dbraw/zinc/07/79/07/289077907.db2.gz BZPUZPZBJGRUNO-HRCADAONSA-N 2 1 286.460 2.138 20 0 CEADMP C([C@H]1CCSC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543461 395731626 /nfs/dbraw/zinc/73/16/26/395731626.db2.gz OBRNRNXMNSXZRD-KFWWJZLASA-N 2 1 268.470 2.451 20 0 CEADMP COc1ccc(CCC[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)cc1OC ZINC000647550572 395733832 /nfs/dbraw/zinc/73/38/32/395733832.db2.gz ZAORWXJESAQSGX-ZFWWWQNUSA-N 2 1 292.423 2.224 20 0 CEADMP C[C@@H]1CC2(C[N@@H+]1CC[NH2+]C(C)(C)C)CCOCC2 ZINC000647553243 395734108 /nfs/dbraw/zinc/73/41/08/395734108.db2.gz MCBKOUSQRZLQTM-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CC[NH2+]C(C)(C)C)CCOCC2 ZINC000647553243 395734109 /nfs/dbraw/zinc/73/41/09/395734109.db2.gz MCBKOUSQRZLQTM-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nc2c(s1)CCCC2 ZINC000647552274 395734271 /nfs/dbraw/zinc/73/42/71/395734271.db2.gz OPHFQZKGFCKVFY-ZJUUUORDSA-N 2 1 253.415 2.237 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647786507 395754530 /nfs/dbraw/zinc/75/45/30/395754530.db2.gz QXVOKFATPOAXAX-DRRXZNNHSA-N 3 1 279.472 2.085 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647786507 395754531 /nfs/dbraw/zinc/75/45/31/395754531.db2.gz QXVOKFATPOAXAX-DRRXZNNHSA-N 3 1 279.472 2.085 20 0 CEADMP COc1ccccc1C1([NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000647802920 395757846 /nfs/dbraw/zinc/75/78/46/395757846.db2.gz ZDYVININPOUOJO-STQMWFEESA-N 2 1 260.381 2.272 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC[C@H]2CCC[C@@H](C)C2)CCO1 ZINC000647865265 395765408 /nfs/dbraw/zinc/76/54/08/395765408.db2.gz DWUYLXGBSISBTL-TUVASFSCSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC[C@H]2CCC[C@@H](C)C2)CCO1 ZINC000647865265 395765410 /nfs/dbraw/zinc/76/54/10/395765410.db2.gz DWUYLXGBSISBTL-TUVASFSCSA-N 2 1 254.418 2.251 20 0 CEADMP c1csc(C[N@H+](C[C@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000647873373 395766807 /nfs/dbraw/zinc/76/68/07/395766807.db2.gz BXAPNATZXQXPBH-KBPBESRZSA-N 2 1 280.437 2.339 20 0 CEADMP c1csc(C[N@@H+](C[C@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000647873373 395766810 /nfs/dbraw/zinc/76/68/10/395766810.db2.gz BXAPNATZXQXPBH-KBPBESRZSA-N 2 1 280.437 2.339 20 0 CEADMP Cc1cc(C[N@H+](C)CCCC2CC[NH2+]CC2)no1 ZINC000647879561 395767665 /nfs/dbraw/zinc/76/76/65/395767665.db2.gz QJBNGCAFMYMZIL-UHFFFAOYSA-N 2 1 251.374 2.195 20 0 CEADMP Cc1cc(C[N@@H+](C)CCCC2CC[NH2+]CC2)no1 ZINC000647879561 395767667 /nfs/dbraw/zinc/76/76/67/395767667.db2.gz QJBNGCAFMYMZIL-UHFFFAOYSA-N 2 1 251.374 2.195 20 0 CEADMP Fc1ccc(C[C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647881125 395768091 /nfs/dbraw/zinc/76/80/91/395768091.db2.gz COFDHZZJMQEYQD-GOEBONIOSA-N 2 1 262.372 2.442 20 0 CEADMP Fc1ccc(C[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647885963 395769171 /nfs/dbraw/zinc/76/91/71/395769171.db2.gz VMFJZXHQFLVLMA-LSDHHAIUSA-N 2 1 262.372 2.300 20 0 CEADMP c1cc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc2c1OCO2 ZINC000647884453 395769393 /nfs/dbraw/zinc/76/93/93/395769393.db2.gz RNZZIUYKNYKCQZ-JSGCOSHPSA-N 2 1 274.364 2.162 20 0 CEADMP COCCCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904163 395770849 /nfs/dbraw/zinc/77/08/49/395770849.db2.gz XXZFTTCELSHKDY-CABCVRRESA-N 2 1 254.418 2.267 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000647934534 395778871 /nfs/dbraw/zinc/77/88/71/395778871.db2.gz ICNZQGIHFNNYEM-LZWOXQAQSA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000647934534 395778874 /nfs/dbraw/zinc/77/88/74/395778874.db2.gz ICNZQGIHFNNYEM-LZWOXQAQSA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC(=O)NCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000647936941 395779184 /nfs/dbraw/zinc/77/91/84/395779184.db2.gz NXGBVHLZOOEVFM-CVEARBPZSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976835 395793197 /nfs/dbraw/zinc/79/31/97/395793197.db2.gz UUGBLAWMBKDHFL-ILXRZTDVSA-N 2 1 295.471 2.001 20 0 CEADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977134 395793322 /nfs/dbraw/zinc/79/33/22/395793322.db2.gz YFFJYKILHWARKK-CAOSSQGBSA-N 2 1 295.471 2.001 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)no1 ZINC000647975465 395793490 /nfs/dbraw/zinc/79/34/90/395793490.db2.gz ARJZXYVRHSHCNS-ZIAGYGMSSA-N 2 1 263.385 2.195 20 0 CEADMP CCOCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978441 395794234 /nfs/dbraw/zinc/79/42/34/395794234.db2.gz RUWBVSZSHLKTBM-GJZGRUSLSA-N 2 1 254.418 2.125 20 0 CEADMP Clc1ccccc1O[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647989878 395796864 /nfs/dbraw/zinc/79/68/64/395796864.db2.gz AHAALUZOXHQROM-STQMWFEESA-N 2 1 280.799 2.403 20 0 CEADMP Clc1ccccc1O[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647989878 395796865 /nfs/dbraw/zinc/79/68/65/395796865.db2.gz AHAALUZOXHQROM-STQMWFEESA-N 2 1 280.799 2.403 20 0 CEADMP Cc1ccc(C[N@@H+](CC2CC2)C[C@H]2CC[NH2+]C2)cn1 ZINC000647995192 395798424 /nfs/dbraw/zinc/79/84/24/395798424.db2.gz DGRLNIJXKCWGBF-INIZCTEOSA-N 2 1 259.397 2.212 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC000648560099 395929496 /nfs/dbraw/zinc/92/94/96/395929496.db2.gz NIIAOMVQQXTDEX-BZUAXINKSA-N 2 1 284.444 2.035 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC000648560099 395929497 /nfs/dbraw/zinc/92/94/97/395929497.db2.gz NIIAOMVQQXTDEX-BZUAXINKSA-N 2 1 284.444 2.035 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CCO1 ZINC000648447804 395910610 /nfs/dbraw/zinc/91/06/10/395910610.db2.gz DKDNBBWKFFJOMR-HOTGVXAUSA-N 2 1 296.455 2.179 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000648763896 395977896 /nfs/dbraw/zinc/97/78/96/395977896.db2.gz NUWXJJXCNDCIAH-KBPBESRZSA-N 2 1 294.443 2.243 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000648763896 395977900 /nfs/dbraw/zinc/97/79/00/395977900.db2.gz NUWXJJXCNDCIAH-KBPBESRZSA-N 2 1 294.443 2.243 20 0 CEADMP CCCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@H]1CC[N@@H+](C)C1 ZINC000648997518 396038117 /nfs/dbraw/zinc/03/81/17/396038117.db2.gz RGRXTEZBEKZWHL-KBPBESRZSA-N 2 1 283.460 2.096 20 0 CEADMP CCCN(C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[C@@H]1CC[N@@H+](C)C1 ZINC000649001516 396039658 /nfs/dbraw/zinc/03/96/58/396039658.db2.gz NWRZHNUCBRWLLS-LVQVYYBASA-N 2 1 295.471 2.190 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000648871169 396006729 /nfs/dbraw/zinc/00/67/29/396006729.db2.gz QWCVDHCBVCTLMS-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000648871169 396006731 /nfs/dbraw/zinc/00/67/31/396006731.db2.gz QWCVDHCBVCTLMS-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649318553 396120481 /nfs/dbraw/zinc/12/04/81/396120481.db2.gz VRURRKYKLUGMRS-RISCZKNCSA-N 2 1 297.830 2.186 20 0 CEADMP CN(CC[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000649408910 396145425 /nfs/dbraw/zinc/14/54/25/396145425.db2.gz HEIFPFXFAUUEDJ-UHFFFAOYSA-N 2 1 273.424 2.339 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411665 396145970 /nfs/dbraw/zinc/14/59/70/396145970.db2.gz PRMOBYLKMXROIZ-MRXNPFEDSA-N 3 1 267.461 2.040 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000649411664 396146134 /nfs/dbraw/zinc/14/61/34/396146134.db2.gz PRMOBYLKMXROIZ-INIZCTEOSA-N 3 1 267.461 2.040 20 0 CEADMP C([C@@H]1CC[NH2+]C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649411580 396146390 /nfs/dbraw/zinc/14/63/90/396146390.db2.gz IJFATXDMQXWTKB-QGZVFWFLSA-N 2 1 279.472 2.184 20 0 CEADMP CC(C)[NH2+]C1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000649414658 396148064 /nfs/dbraw/zinc/14/80/64/396148064.db2.gz PKAXSXUTJIKCCW-UHFFFAOYSA-N 2 1 267.461 2.229 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000649493633 396169628 /nfs/dbraw/zinc/16/96/28/396169628.db2.gz VDXINTNDJDHXMG-OAHLLOKOSA-N 2 1 267.461 2.134 20 0 CEADMP CC(C)O[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000649702387 396233054 /nfs/dbraw/zinc/23/30/54/396233054.db2.gz COZMPBIRUMRSRU-LSDHHAIUSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)O[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000649702387 396233058 /nfs/dbraw/zinc/23/30/58/396233058.db2.gz COZMPBIRUMRSRU-LSDHHAIUSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)O[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000649702387 396233059 /nfs/dbraw/zinc/23/30/59/396233059.db2.gz COZMPBIRUMRSRU-LSDHHAIUSA-N 2 1 254.418 2.360 20 0 CEADMP COCc1ccccc1/C=C(/C)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000646105543 396294077 /nfs/dbraw/zinc/29/40/77/396294077.db2.gz YWJWQWUPBAGCDX-ATNRAGQQSA-N 2 1 286.419 2.388 20 0 CEADMP COCc1ccccc1/C=C(/C)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000646105543 396294079 /nfs/dbraw/zinc/29/40/79/396294079.db2.gz YWJWQWUPBAGCDX-ATNRAGQQSA-N 2 1 286.419 2.388 20 0 CEADMP CC/C=C\CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105636 396294101 /nfs/dbraw/zinc/29/41/01/396294101.db2.gz APPQNAUOMZODKG-PLNGDYQASA-N 2 1 252.402 2.139 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(F)cc1)CCO2 ZINC000646103604 396294108 /nfs/dbraw/zinc/29/41/08/396294108.db2.gz YOLYBVYFXILULB-UHFFFAOYSA-N 2 1 278.371 2.122 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(F)cc1)CCO2 ZINC000646103604 396294111 /nfs/dbraw/zinc/29/41/11/396294111.db2.gz YOLYBVYFXILULB-UHFFFAOYSA-N 2 1 278.371 2.122 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647170019 396427524 /nfs/dbraw/zinc/42/75/24/396427524.db2.gz KOWFAMPRVKQQBJ-UHFFFAOYSA-N 2 1 287.411 2.087 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647170019 396427526 /nfs/dbraw/zinc/42/75/26/396427526.db2.gz KOWFAMPRVKQQBJ-UHFFFAOYSA-N 2 1 287.411 2.087 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000647200271 396438255 /nfs/dbraw/zinc/43/82/55/396438255.db2.gz VJKNGBOUPFKTCG-TUVASFSCSA-N 2 1 266.429 2.406 20 0 CEADMP CCn1cncc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249304 396449916 /nfs/dbraw/zinc/44/99/16/396449916.db2.gz QFBPQAYDBPXVNG-AEFFLSMTSA-N 2 1 298.434 2.338 20 0 CEADMP CCn1cncc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249304 396449919 /nfs/dbraw/zinc/44/99/19/396449919.db2.gz QFBPQAYDBPXVNG-AEFFLSMTSA-N 2 1 298.434 2.338 20 0 CEADMP COC1(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CCCC1 ZINC000361543942 292112358 /nfs/dbraw/zinc/11/23/58/292112358.db2.gz RHTLTTYPTDOHTH-BZUAXINKSA-N 2 1 296.455 2.129 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000049313073 400228007 /nfs/dbraw/zinc/22/80/07/400228007.db2.gz FXTCVWNQVZHJES-CHWSQXEVSA-N 2 1 294.361 2.419 20 0 CEADMP CC(C)COCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000300087684 400326365 /nfs/dbraw/zinc/32/63/65/400326365.db2.gz NIHHQLBIMBYRHK-HUUCEWRRSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)c1cc(N2CCC(CC[NH3+])CC2)nc(N(C)C)[nH+]1 ZINC000650308317 400867037 /nfs/dbraw/zinc/86/70/37/400867037.db2.gz JRLDVEKDBGHAFJ-UHFFFAOYSA-N 2 1 291.443 2.231 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC3CCCC3)C2)C1 ZINC000650708449 401000388 /nfs/dbraw/zinc/00/03/88/401000388.db2.gz ZSULTGXHCXTTLK-BZUAXINKSA-N 2 1 266.429 2.395 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CNc3ccccc3C2)[C@@H](C)C1 ZINC000650715807 401006080 /nfs/dbraw/zinc/00/60/80/401006080.db2.gz KQKHXLYTSHNRTR-BPUTZDHNSA-N 2 1 273.424 2.343 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nccs2)C1 ZINC000650723047 401011355 /nfs/dbraw/zinc/01/13/55/401011355.db2.gz GVQZVTRUTGKELT-FRRDWIJNSA-N 2 1 281.425 2.004 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2nccs2)C1 ZINC000650723047 401011363 /nfs/dbraw/zinc/01/13/63/401011363.db2.gz GVQZVTRUTGKELT-FRRDWIJNSA-N 2 1 281.425 2.004 20 0 CEADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310981535 286028787 /nfs/dbraw/zinc/02/87/87/286028787.db2.gz TYQHQAKVKVIKPK-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000651491444 401349284 /nfs/dbraw/zinc/34/92/84/401349284.db2.gz YKQRBSCKQBUHRY-HIFRSBDPSA-N 2 1 254.418 2.408 20 0 CEADMP COC[C@@H](CC(C)(C)C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000651748206 401383406 /nfs/dbraw/zinc/38/34/06/401383406.db2.gz BVSHNEMQNHVSQX-CQSZACIVSA-N 2 1 254.418 2.289 20 0 CEADMP COc1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)cn1 ZINC000651865920 401405678 /nfs/dbraw/zinc/40/56/78/401405678.db2.gz MVZXJOGONAKQQR-UHFFFAOYSA-N 2 1 265.401 2.158 20 0 CEADMP COc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)cn1 ZINC000651865920 401405680 /nfs/dbraw/zinc/40/56/80/401405680.db2.gz MVZXJOGONAKQQR-UHFFFAOYSA-N 2 1 265.401 2.158 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000651865337 401405771 /nfs/dbraw/zinc/40/57/71/401405771.db2.gz UZCNUBMOMDLYHM-UHFFFAOYSA-N 2 1 288.386 2.216 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000651865337 401405773 /nfs/dbraw/zinc/40/57/73/401405773.db2.gz UZCNUBMOMDLYHM-UHFFFAOYSA-N 2 1 288.386 2.216 20 0 CEADMP CC[N@@H+](CCCNC(=O)NC(C)(C)C[NH3+])C1CCCCC1 ZINC000652227905 401468058 /nfs/dbraw/zinc/46/80/58/401468058.db2.gz QSSHVHJLPSJESV-UHFFFAOYSA-N 2 1 298.475 2.068 20 0 CEADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348516 401491764 /nfs/dbraw/zinc/49/17/64/401491764.db2.gz HGRPQHWMVYDDGE-AESZEHBQSA-N 2 1 289.423 2.361 20 0 CEADMP C[C@@H]1CCC[N@H+](CC(=O)NCC2CCCCC2)[C@@H]1CC[NH3+] ZINC000652353611 401492338 /nfs/dbraw/zinc/49/23/38/401492338.db2.gz UZLCYYJDCFDLJB-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)NCC2CCCCC2)[C@@H]1CC[NH3+] ZINC000652353611 401492342 /nfs/dbraw/zinc/49/23/42/401492342.db2.gz UZLCYYJDCFDLJB-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)oc1C ZINC000652363010 401494929 /nfs/dbraw/zinc/49/49/29/401494929.db2.gz VKGDOWGXOYGKPV-RBSFLKMASA-N 2 1 293.411 2.152 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363507 401495142 /nfs/dbraw/zinc/49/51/42/401495142.db2.gz GPFJQUIOSOQRCF-GVDBMIGSSA-N 3 1 297.487 2.079 20 0 CEADMP CC[NH+](CC)CCCN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363507 401495146 /nfs/dbraw/zinc/49/51/46/401495146.db2.gz GPFJQUIOSOQRCF-GVDBMIGSSA-N 2 1 297.487 2.079 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc2c(s1)CCC2 ZINC000360239113 155248484 /nfs/dbraw/zinc/24/84/84/155248484.db2.gz AOEFLQBQIDAKGN-TZMCWYRMSA-N 2 1 294.464 2.344 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](CCO)c2ccccc2)CC1 ZINC000360240131 155248730 /nfs/dbraw/zinc/24/87/30/155248730.db2.gz STWZDQIQVICWGR-INIZCTEOSA-N 2 1 262.397 2.184 20 0 CEADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000360250053 155251587 /nfs/dbraw/zinc/25/15/87/155251587.db2.gz GUEINGBPLVJIHG-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](COC)CC(C)C)C1 ZINC000360241912 155251598 /nfs/dbraw/zinc/25/15/98/155251598.db2.gz MCHPUINLXPRMCN-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP Cn1cncc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192932629 153222788 /nfs/dbraw/zinc/22/27/88/153222788.db2.gz YTYPAYHVWYFQKC-INIZCTEOSA-N 2 1 284.407 2.032 20 0 CEADMP Cn1cncc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192932629 153222792 /nfs/dbraw/zinc/22/27/92/153222792.db2.gz YTYPAYHVWYFQKC-INIZCTEOSA-N 2 1 284.407 2.032 20 0 CEADMP COc1cccc([C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193606654 153233861 /nfs/dbraw/zinc/23/38/61/153233861.db2.gz XDWWARUUXBARMB-YUELXQCFSA-N 2 1 260.381 2.250 20 0 CEADMP COc1cccc([C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193606654 153233865 /nfs/dbraw/zinc/23/38/65/153233865.db2.gz XDWWARUUXBARMB-YUELXQCFSA-N 2 1 260.381 2.250 20 0 CEADMP COc1cccc([C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193606654 153233869 /nfs/dbraw/zinc/23/38/69/153233869.db2.gz XDWWARUUXBARMB-YUELXQCFSA-N 2 1 260.381 2.250 20 0 CEADMP COc1cccc([C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193606654 153233871 /nfs/dbraw/zinc/23/38/71/153233871.db2.gz XDWWARUUXBARMB-YUELXQCFSA-N 2 1 260.381 2.250 20 0 CEADMP C[N@@H+](C[C@@]1(O)CCN(Cc2ccccc2)C1)C1CCC1 ZINC000194784513 153266865 /nfs/dbraw/zinc/26/68/65/153266865.db2.gz QIYZOCMBNMPGGS-KRWDZBQOSA-N 2 1 274.408 2.108 20 0 CEADMP C[N@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C1CCC1 ZINC000194784513 153266869 /nfs/dbraw/zinc/26/68/69/153266869.db2.gz QIYZOCMBNMPGGS-KRWDZBQOSA-N 2 1 274.408 2.108 20 0 CEADMP C[N@@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C1CCC1 ZINC000194784513 153266874 /nfs/dbraw/zinc/26/68/74/153266874.db2.gz QIYZOCMBNMPGGS-KRWDZBQOSA-N 2 1 274.408 2.108 20 0 CEADMP C[NH+](C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000194784513 153266877 /nfs/dbraw/zinc/26/68/77/153266877.db2.gz QIYZOCMBNMPGGS-KRWDZBQOSA-N 2 1 274.408 2.108 20 0 CEADMP C[NH+](C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000194784513 153266881 /nfs/dbraw/zinc/26/68/81/153266881.db2.gz QIYZOCMBNMPGGS-KRWDZBQOSA-N 2 1 274.408 2.108 20 0 CEADMP COCC[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000346816455 154300090 /nfs/dbraw/zinc/30/00/90/154300090.db2.gz SZEANEAIMALIMH-QLFBSQMISA-N 2 1 280.412 2.300 20 0 CEADMP COCC[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000346816455 154300094 /nfs/dbraw/zinc/30/00/94/154300094.db2.gz SZEANEAIMALIMH-QLFBSQMISA-N 2 1 280.412 2.300 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000347084793 154301618 /nfs/dbraw/zinc/30/16/18/154301618.db2.gz CIACSQHIRZTCFF-INIZCTEOSA-N 2 1 284.407 2.304 20 0 CEADMP CC[C@H](C[C@H](C)CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352750708 154333627 /nfs/dbraw/zinc/33/36/27/154333627.db2.gz RFOCQQGVCIVCIG-NWDGAFQWSA-N 2 1 285.457 2.091 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357080454 154370302 /nfs/dbraw/zinc/37/03/02/154370302.db2.gz MUFZVDFIZIPDQE-CABCVRRESA-N 2 1 290.407 2.005 20 0 CEADMP CC[C@H](C(N)=O)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357074082 154372923 /nfs/dbraw/zinc/37/29/23/154372923.db2.gz FGRQVLLNDLVDJX-MRXNPFEDSA-N 2 1 295.471 2.084 20 0 CEADMP COCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000090536957 292307877 /nfs/dbraw/zinc/30/78/77/292307877.db2.gz KLLGZJNJHDGOKH-MGPQQGTHSA-N 2 1 254.418 2.121 20 0 CEADMP COc1ccc2oc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000359454573 155019984 /nfs/dbraw/zinc/01/99/84/155019984.db2.gz BRPINOAZBKZTCE-CHWSQXEVSA-N 2 1 272.348 2.093 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000359696997 155115068 /nfs/dbraw/zinc/11/50/68/155115068.db2.gz AEAIJENPPZAKJX-MAUKXSAKSA-N 2 1 298.434 2.345 20 0 CEADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000364339601 156065674 /nfs/dbraw/zinc/06/56/74/156065674.db2.gz DUSGSZRANKLSFG-USXIJHARSA-N 2 1 276.424 2.258 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000367785491 156238263 /nfs/dbraw/zinc/23/82/63/156238263.db2.gz WPKJXHAHUDGXDL-DUOKCRBOSA-N 2 1 297.402 2.412 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000367785491 156238265 /nfs/dbraw/zinc/23/82/65/156238265.db2.gz WPKJXHAHUDGXDL-DUOKCRBOSA-N 2 1 297.402 2.412 20 0 CEADMP COc1ccncc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000367847782 156246064 /nfs/dbraw/zinc/24/60/64/156246064.db2.gz JKBLQLMFTDDRRU-UHFFFAOYSA-N 2 1 289.423 2.398 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000368574545 156369364 /nfs/dbraw/zinc/36/93/64/156369364.db2.gz KKAHZTUXQPPSPT-MHORFTMASA-N 2 1 288.435 2.052 20 0 CEADMP C[C@@H](O)c1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000368575215 156369740 /nfs/dbraw/zinc/36/97/40/156369740.db2.gz ISKIUUPZQORPOV-ODWCKFRGSA-N 2 1 295.452 2.301 20 0 CEADMP C[C@@H](O)c1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC000368575215 156369743 /nfs/dbraw/zinc/36/97/43/156369743.db2.gz ISKIUUPZQORPOV-ODWCKFRGSA-N 2 1 295.452 2.301 20 0 CEADMP CC[C@H](C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)[NH+](C)C ZINC000375235714 157066964 /nfs/dbraw/zinc/06/69/64/157066964.db2.gz BTQQJBWGJUFBKP-MRXNPFEDSA-N 2 1 287.407 2.443 20 0 CEADMP CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375450304 157096546 /nfs/dbraw/zinc/09/65/46/157096546.db2.gz XAGYRACNSPRNQW-BRWVUGGUSA-N 2 1 276.424 2.430 20 0 CEADMP CC(C)n1nccc1C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000376017911 157173668 /nfs/dbraw/zinc/17/36/68/157173668.db2.gz GNYUHYWUEYSPBB-CYBMUJFWSA-N 2 1 273.384 2.013 20 0 CEADMP CC(C)n1nccc1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000376017912 157174199 /nfs/dbraw/zinc/17/41/99/157174199.db2.gz GNYUHYWUEYSPBB-ZDUSSCGKSA-N 2 1 273.384 2.013 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC(C)(C)C(F)(F)F)CC1 ZINC000548883196 298432003 /nfs/dbraw/zinc/43/20/03/298432003.db2.gz ZKRCGTGIXZCQKC-UHFFFAOYSA-N 2 1 282.350 2.275 20 0 CEADMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173872344 165086433 /nfs/dbraw/zinc/08/64/33/165086433.db2.gz BJKFBZAAZARLIC-INIZCTEOSA-N 2 1 290.455 2.345 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173872344 165086436 /nfs/dbraw/zinc/08/64/36/165086436.db2.gz BJKFBZAAZARLIC-INIZCTEOSA-N 2 1 290.455 2.345 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000178512853 165245336 /nfs/dbraw/zinc/24/53/36/165245336.db2.gz RGQGIKUMLJJUJH-OLZOCXBDSA-N 2 1 280.416 2.198 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3nccn3C)CC2)[nH+]1 ZINC000182985040 165382347 /nfs/dbraw/zinc/38/23/47/165382347.db2.gz GIGLKFXUSZROFM-CQSZACIVSA-N 2 1 299.422 2.443 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCN1CC(F)F ZINC000414705139 287199334 /nfs/dbraw/zinc/19/93/34/287199334.db2.gz LDEWLXBPPCTXJD-HZSPNIEDSA-N 2 1 289.414 2.036 20 0 CEADMP COc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000020523854 171236600 /nfs/dbraw/zinc/23/66/00/171236600.db2.gz FQVCSZMVSDSJRE-MQVJKMGUSA-N 2 1 274.408 2.453 20 0 CEADMP COCc1cc([C@@H](C)[NH2+]CCC[NH+](C)C)ccc1OC ZINC000035660664 172337696 /nfs/dbraw/zinc/33/76/96/172337696.db2.gz KJLSLZZGWWQVQT-CYBMUJFWSA-N 2 1 280.412 2.444 20 0 CEADMP Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000285338032 196254484 /nfs/dbraw/zinc/25/44/84/196254484.db2.gz RHEXONDEHXZOOE-UHFFFAOYSA-N 2 1 297.362 2.002 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2-n2ccnn2)C1 ZINC000285663363 196359317 /nfs/dbraw/zinc/35/93/17/196359317.db2.gz MXAPGNDSSMATRD-CABCVRRESA-N 2 1 299.422 2.260 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408198 173183805 /nfs/dbraw/zinc/18/38/05/173183805.db2.gz PGGZIQQVSHKPPF-AWEZNQCLSA-N 2 1 260.381 2.269 20 0 CEADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000037505602 173240430 /nfs/dbraw/zinc/24/04/30/173240430.db2.gz ZVKGXHOFRYFHAP-LLVKDONJSA-N 2 1 251.399 2.025 20 0 CEADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000037505602 173240432 /nfs/dbraw/zinc/24/04/32/173240432.db2.gz ZVKGXHOFRYFHAP-LLVKDONJSA-N 2 1 251.399 2.025 20 0 CEADMP CCOc1ccc(OCC[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc1 ZINC000040600156 174350250 /nfs/dbraw/zinc/35/02/50/174350250.db2.gz XRFMMPQOUDAEHV-OAHLLOKOSA-N 2 1 292.423 2.396 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1 ZINC000040600156 174350251 /nfs/dbraw/zinc/35/02/51/174350251.db2.gz XRFMMPQOUDAEHV-OAHLLOKOSA-N 2 1 292.423 2.396 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000040600353 174350757 /nfs/dbraw/zinc/35/07/57/174350757.db2.gz SAUGYNCQEWIARP-CYBMUJFWSA-N 2 1 293.386 2.086 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cc(OC)ccc2OC)CC[C@@H]1[NH3+] ZINC000122317460 414788938 /nfs/dbraw/zinc/78/89/38/414788938.db2.gz AMVFWVHQFPBHQY-WFASDCNBSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cc(OC)ccc2OC)CC[C@@H]1[NH3+] ZINC000122317460 414788943 /nfs/dbraw/zinc/78/89/43/414788943.db2.gz AMVFWVHQFPBHQY-WFASDCNBSA-N 2 1 278.396 2.263 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000662844845 414770288 /nfs/dbraw/zinc/77/02/88/414770288.db2.gz BNGWVLBLXLQOLO-UONOGXRCSA-N 2 1 295.471 2.001 20 0 CEADMP CC[C@H](C(=O)NCCC[N@@H+](CC)C1CCCCC1)[NH+](C)C ZINC000652756926 414781488 /nfs/dbraw/zinc/78/14/88/414781488.db2.gz ZDZPVTVPSQTSOR-MRXNPFEDSA-N 2 1 297.487 2.488 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1O ZINC000404417642 414784565 /nfs/dbraw/zinc/78/45/65/414784565.db2.gz HDGCRWGUBJQGGR-GXTWGEPZSA-N 2 1 278.396 2.350 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000401019150 414749504 /nfs/dbraw/zinc/74/95/04/414749504.db2.gz JYYVYQGRBULNNI-VQHPVUNQSA-N 3 1 281.488 2.331 20 0 CEADMP C[C@H]1CCCC[C@@H]1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000660419053 414811104 /nfs/dbraw/zinc/81/11/04/414811104.db2.gz GLKWYMDQVBRPFN-UONOGXRCSA-N 2 1 262.401 2.358 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)C1CCCCC1 ZINC000310920981 414859014 /nfs/dbraw/zinc/85/90/14/414859014.db2.gz CLVDYPCDIPNWOY-DZGCQCFKSA-N 2 1 256.434 2.246 20 0 CEADMP COc1ccc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)nc1 ZINC000660656906 414920081 /nfs/dbraw/zinc/92/00/81/414920081.db2.gz BDVZOGMFJABQLP-INIZCTEOSA-N 2 1 275.396 2.008 20 0 CEADMP CCOc1cccc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000660664010 414922453 /nfs/dbraw/zinc/92/24/53/414922453.db2.gz PIKOKBQJOKBNHL-KRWDZBQOSA-N 2 1 289.423 2.398 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC000660662723 414922735 /nfs/dbraw/zinc/92/27/35/414922735.db2.gz LVEJDKCKFSCRKB-OWCLPIDISA-N 2 1 266.429 2.219 20 0 CEADMP Cc1cnccc1CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661665 414923414 /nfs/dbraw/zinc/92/34/14/414923414.db2.gz DUROEGMYQSQNFC-KRWDZBQOSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1cnccc1CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661665 414923420 /nfs/dbraw/zinc/92/34/20/414923420.db2.gz DUROEGMYQSQNFC-KRWDZBQOSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1cnccc1CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661665 414923426 /nfs/dbraw/zinc/92/34/26/414923426.db2.gz DUROEGMYQSQNFC-KRWDZBQOSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1c(Br)cncc1C[NH2+]CCCN1CCC1 ZINC000657423170 414926034 /nfs/dbraw/zinc/92/60/34/414926034.db2.gz GNMMDJAKJNDLMX-UHFFFAOYSA-N 2 1 298.228 2.338 20 0 CEADMP COc1cncc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660665165 414928257 /nfs/dbraw/zinc/92/82/57/414928257.db2.gz VAJBWBIPZAKXQZ-MRXNPFEDSA-N 2 1 275.396 2.008 20 0 CEADMP c1cc2c(cc[nH+]c2N2CC[NH+](Cc3ccccn3)CC2)[nH]1 ZINC000663358912 414928648 /nfs/dbraw/zinc/92/86/48/414928648.db2.gz FLUPFBBAUJKKLN-UHFFFAOYSA-N 2 1 293.374 2.280 20 0 CEADMP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000663371242 414931980 /nfs/dbraw/zinc/93/19/80/414931980.db2.gz ZRPYODFGJMGQQH-BBRMVZONSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CCCCC1 ZINC000663371242 414931984 /nfs/dbraw/zinc/93/19/84/414931984.db2.gz ZRPYODFGJMGQQH-BBRMVZONSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)[C@H]([NH3+])CCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000663275804 414901730 /nfs/dbraw/zinc/90/17/30/414901730.db2.gz DTGULEOEOPYLCZ-CYBMUJFWSA-N 2 1 277.416 2.252 20 0 CEADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1nc2c(s1)CCC2 ZINC000663500963 414974156 /nfs/dbraw/zinc/97/41/56/414974156.db2.gz WYVSIMAGTBJHBL-SNVBAGLBSA-N 2 1 253.415 2.095 20 0 CEADMP CCn1nccc1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000663513528 414979434 /nfs/dbraw/zinc/97/94/34/414979434.db2.gz KYPRHZZRUGRYOZ-ZIAGYGMSSA-N 2 1 264.417 2.303 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)CC[NH2+]1 ZINC000663514990 414980110 /nfs/dbraw/zinc/98/01/10/414980110.db2.gz XPZRDNMBXVBQBR-BYNQJWBRSA-N 2 1 276.371 2.119 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C/C=C\CO)CC[N@@H+]1Cc1ccccc1 ZINC000657593546 415016114 /nfs/dbraw/zinc/01/61/14/415016114.db2.gz ICAXZNFAGSESPD-FHYYHZITSA-N 2 1 274.408 2.178 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C/C=C\CO)CC[N@H+]1Cc1ccccc1 ZINC000657593546 415016118 /nfs/dbraw/zinc/01/61/18/415016118.db2.gz ICAXZNFAGSESPD-FHYYHZITSA-N 2 1 274.408 2.178 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)NCC[N@H+]2CCCC2(C)C)CC1 ZINC000654532725 414962665 /nfs/dbraw/zinc/96/26/65/414962665.db2.gz JHKMDIOFCVTAEW-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP OC1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663465741 414964210 /nfs/dbraw/zinc/96/42/10/414964210.db2.gz LANBDSNCSVICNL-FHERZECASA-N 2 1 266.429 2.002 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cn[nH]c1 ZINC000663465974 414964320 /nfs/dbraw/zinc/96/43/20/414964320.db2.gz MLGGVFZMAPUPKE-OCCSQVGLSA-N 2 1 262.401 2.182 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cn[nH]c1 ZINC000663465974 414964323 /nfs/dbraw/zinc/96/43/23/414964323.db2.gz MLGGVFZMAPUPKE-OCCSQVGLSA-N 2 1 262.401 2.182 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000653608875 415050717 /nfs/dbraw/zinc/05/07/17/415050717.db2.gz LHILXGZYNDMQTE-LSDHHAIUSA-N 2 1 279.428 2.082 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000653608875 415050722 /nfs/dbraw/zinc/05/07/22/415050722.db2.gz LHILXGZYNDMQTE-LSDHHAIUSA-N 2 1 279.428 2.082 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000653612582 415052898 /nfs/dbraw/zinc/05/28/98/415052898.db2.gz XLZOQOLYDMZIJZ-MRXNPFEDSA-N 2 1 284.407 2.312 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000653612582 415052903 /nfs/dbraw/zinc/05/29/03/415052903.db2.gz XLZOQOLYDMZIJZ-MRXNPFEDSA-N 2 1 284.407 2.312 20 0 CEADMP C[C@H](c1ccncc1)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000653688262 415075574 /nfs/dbraw/zinc/07/55/74/415075574.db2.gz QGDYSJZJQGXXLT-LSDHHAIUSA-N 2 1 289.423 2.328 20 0 CEADMP CC1(C)OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657787062 415079149 /nfs/dbraw/zinc/07/91/49/415079149.db2.gz QXPGRMMWKKWYIQ-MCIONIFRSA-N 2 1 252.402 2.018 20 0 CEADMP C([NH2+][C@H]1CCCSCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000657834883 415098828 /nfs/dbraw/zinc/09/88/28/415098828.db2.gz MNLIXMQJKZZEJW-OLZOCXBDSA-N 2 1 254.443 2.346 20 0 CEADMP CCOC1CCC([NH2+]C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000657841427 415102305 /nfs/dbraw/zinc/10/23/05/415102305.db2.gz PTYCJBYURNUHFS-NFOMZHRRSA-N 2 1 254.418 2.266 20 0 CEADMP CCn1cc(C[N@H+](CCCc2c[nH+]cn2C)C(C)C)cn1 ZINC000653778606 415103708 /nfs/dbraw/zinc/10/37/08/415103708.db2.gz ASOXHYOXBUHBSE-UHFFFAOYSA-N 2 1 289.427 2.480 20 0 CEADMP CCn1cc(C[N@@H+](CCCc2c[nH+]cn2C)C(C)C)cn1 ZINC000653778606 415103711 /nfs/dbraw/zinc/10/37/11/415103711.db2.gz ASOXHYOXBUHBSE-UHFFFAOYSA-N 2 1 289.427 2.480 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCSCC1 ZINC000657847128 415105221 /nfs/dbraw/zinc/10/52/21/415105221.db2.gz UFPPHOZNWWBDEG-CYBMUJFWSA-N 2 1 253.415 2.457 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661166922 415117005 /nfs/dbraw/zinc/11/70/05/415117005.db2.gz DDMFDEKOYFFZPC-MRXNPFEDSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661166922 415117014 /nfs/dbraw/zinc/11/70/14/415117014.db2.gz DDMFDEKOYFFZPC-MRXNPFEDSA-N 2 1 277.412 2.473 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661216367 415141957 /nfs/dbraw/zinc/14/19/57/415141957.db2.gz KSJRINWJAPUUMT-INIZCTEOSA-N 2 1 290.451 2.135 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCc2ccccc2C(C)(C)C1 ZINC000661216367 415141963 /nfs/dbraw/zinc/14/19/63/415141963.db2.gz KSJRINWJAPUUMT-INIZCTEOSA-N 2 1 290.451 2.135 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCc2ccccc2C(C)(C)C1 ZINC000661216367 415141966 /nfs/dbraw/zinc/14/19/66/415141966.db2.gz KSJRINWJAPUUMT-INIZCTEOSA-N 2 1 290.451 2.135 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661216367 415141970 /nfs/dbraw/zinc/14/19/70/415141970.db2.gz KSJRINWJAPUUMT-INIZCTEOSA-N 2 1 290.451 2.135 20 0 CEADMP CN(C[C@@H](O)C[N@H+]1CCCC2(CCCC2)CC1)C1CC1 ZINC000661230530 415147303 /nfs/dbraw/zinc/14/73/03/415147303.db2.gz BFSSZCFCQZITMV-MRXNPFEDSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC2(CCCC2)CC1)C1CC1 ZINC000661230530 415147310 /nfs/dbraw/zinc/14/73/10/415147310.db2.gz BFSSZCFCQZITMV-MRXNPFEDSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC2(CCCC2)CC1)C1CC1 ZINC000661230530 415147314 /nfs/dbraw/zinc/14/73/14/415147314.db2.gz BFSSZCFCQZITMV-MRXNPFEDSA-N 2 1 280.456 2.488 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCC2(CCCC2)CC1)C1CC1 ZINC000661230530 415147321 /nfs/dbraw/zinc/14/73/21/415147321.db2.gz BFSSZCFCQZITMV-MRXNPFEDSA-N 2 1 280.456 2.488 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCCC2(CCCC2)CC1)C1CC1 ZINC000661230530 415147329 /nfs/dbraw/zinc/14/73/29/415147329.db2.gz BFSSZCFCQZITMV-MRXNPFEDSA-N 2 1 280.456 2.488 20 0 CEADMP CC(C)(C[NH2+][C@H]1CCCn2nccc21)C[NH+]1CCCC1 ZINC000657989956 415147685 /nfs/dbraw/zinc/14/76/85/415147685.db2.gz NLWNLWHMJZLLHU-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP CC[C@H](COCC1CC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000658091546 415205014 /nfs/dbraw/zinc/20/50/14/415205014.db2.gz UGVCFURATBNXAH-CFVMTHIKSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](COCC1CC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000658091546 415205020 /nfs/dbraw/zinc/20/50/20/415205020.db2.gz UGVCFURATBNXAH-CFVMTHIKSA-N 2 1 254.418 2.264 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655351906 415205879 /nfs/dbraw/zinc/20/58/79/415205879.db2.gz VBYPWNJMNMCQLE-KFWWJZLASA-N 2 1 295.471 2.286 20 0 CEADMP CC(C)(F)CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658190684 415253601 /nfs/dbraw/zinc/25/36/01/415253601.db2.gz PLXNSDZHWMIGOZ-CQSZACIVSA-N 2 1 272.408 2.358 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)O1 ZINC000658216855 415259333 /nfs/dbraw/zinc/25/93/33/415259333.db2.gz VHBKECOHMYLZSM-OXGONZEZSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(O)cc32)CC[N@@H+]1C ZINC000658239954 415274023 /nfs/dbraw/zinc/27/40/23/415274023.db2.gz WYAGXZVWJNAJRR-AXAPSJFSSA-N 2 1 260.381 2.452 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(O)cc32)CC[N@H+]1C ZINC000658239954 415274028 /nfs/dbraw/zinc/27/40/28/415274028.db2.gz WYAGXZVWJNAJRR-AXAPSJFSSA-N 2 1 260.381 2.452 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000661490859 415289703 /nfs/dbraw/zinc/28/97/03/415289703.db2.gz FTWKRRYEMRNWRH-LSDHHAIUSA-N 2 1 256.434 2.201 20 0 CEADMP CC1([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000655753162 415435190 /nfs/dbraw/zinc/43/51/90/415435190.db2.gz WYGWWYHUGLADAY-CQSZACIVSA-N 2 1 252.402 2.162 20 0 CEADMP C1=C(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000655771149 415453096 /nfs/dbraw/zinc/45/30/96/415453096.db2.gz BFRXQUONCKDMFH-MRXNPFEDSA-N 2 1 264.413 2.330 20 0 CEADMP COCC1(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655779691 415460011 /nfs/dbraw/zinc/46/00/11/415460011.db2.gz QQPOUNKIFWHFQI-INIZCTEOSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655834559 415507702 /nfs/dbraw/zinc/50/77/02/415507702.db2.gz DQIUZCPJYRBNDX-BMFZPTHFSA-N 2 1 259.397 2.229 20 0 CEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1noc2ccccc12 ZINC000655937582 415556704 /nfs/dbraw/zinc/55/67/04/415556704.db2.gz BAKDGHUIOYENMC-HNNXBMFYSA-N 2 1 261.369 2.333 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCc2noc3ccccc32)C1 ZINC000655938266 415558840 /nfs/dbraw/zinc/55/88/40/415558840.db2.gz QKRAFUUEXHESKI-NWDGAFQWSA-N 2 1 259.353 2.039 20 0 CEADMP CCc1cc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc[nH+]1 ZINC000656225977 415651255 /nfs/dbraw/zinc/65/12/55/415651255.db2.gz KCCOTHJLOYPYGI-HOTGVXAUSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665236882 415639197 /nfs/dbraw/zinc/63/91/97/415639197.db2.gz WAJQBJZQKLPCDI-HIFRSBDPSA-N 2 1 290.455 2.372 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000665236882 415639200 /nfs/dbraw/zinc/63/92/00/415639200.db2.gz WAJQBJZQKLPCDI-HIFRSBDPSA-N 2 1 290.455 2.372 20 0 CEADMP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000665242454 415644353 /nfs/dbraw/zinc/64/43/53/415644353.db2.gz YMPAMINFHBOAID-ZNMIVQPWSA-N 2 1 259.397 2.368 20 0 CEADMP O[C@@H]1CC[N@H+](C2CCN([C@@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000662147403 415656453 /nfs/dbraw/zinc/65/64/53/415656453.db2.gz FSVKXBXOZIQYQF-KZNAEPCWSA-N 2 1 286.419 2.074 20 0 CEADMP O[C@@H]1CC[N@@H+](C2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000662147403 415656456 /nfs/dbraw/zinc/65/64/56/415656456.db2.gz FSVKXBXOZIQYQF-KZNAEPCWSA-N 2 1 286.419 2.074 20 0 CEADMP O[C@@H]1CC[N@H+](C2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000662147403 415656462 /nfs/dbraw/zinc/65/64/62/415656462.db2.gz FSVKXBXOZIQYQF-KZNAEPCWSA-N 2 1 286.419 2.074 20 0 CEADMP CO[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000665274998 415666056 /nfs/dbraw/zinc/66/60/56/415666056.db2.gz AJUMCNWVKOJZSC-CFVMTHIKSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665276829 415666526 /nfs/dbraw/zinc/66/65/26/415666526.db2.gz NQLGKLUWPNGQNU-WEOZKBJRSA-N 2 1 299.462 2.239 20 0 CEADMP C[C@@H](NCC12CC(C1)C[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665278817 415669539 /nfs/dbraw/zinc/66/95/39/415669539.db2.gz PLNWBKROIBPCMS-IZIZEDOESA-N 2 1 299.462 2.239 20 0 CEADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283965 415671568 /nfs/dbraw/zinc/67/15/68/415671568.db2.gz XWUIIZQGUYXFKQ-NWANDNLSSA-N 2 1 254.418 2.312 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000071145862 176042230 /nfs/dbraw/zinc/04/22/30/176042230.db2.gz BWXODQTXGBDHGV-LBPRGKRZSA-N 2 1 268.401 2.459 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000071146843 176042809 /nfs/dbraw/zinc/04/28/09/176042809.db2.gz CHLXHGDDHIWCHH-LBPRGKRZSA-N 2 1 273.355 2.415 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000071146843 176042810 /nfs/dbraw/zinc/04/28/10/176042810.db2.gz CHLXHGDDHIWCHH-LBPRGKRZSA-N 2 1 273.355 2.415 20 0 CEADMP CC[N@@H+](CCc1cccs1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251783 415716783 /nfs/dbraw/zinc/71/67/83/415716783.db2.gz HGSFHBYBCKUFMI-CYBMUJFWSA-N 2 1 280.437 2.134 20 0 CEADMP Fc1cccc([C@H]2CC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662255685 415718954 /nfs/dbraw/zinc/71/89/54/415718954.db2.gz DEKBBRAOPWCRHO-HUUCEWRRSA-N 2 1 276.355 2.094 20 0 CEADMP CCc1nnc([C@H](C)[NH+]2CCC(C[NH+](CC)CC)CC2)[nH]1 ZINC000659842463 415722127 /nfs/dbraw/zinc/72/21/27/415722127.db2.gz AALRHNKALPRRPX-ZDUSSCGKSA-N 2 1 293.459 2.482 20 0 CEADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC2(C1)CCCCC2 ZINC000662257887 415725655 /nfs/dbraw/zinc/72/56/55/415725655.db2.gz STQRNUMORBXNAP-CQSZACIVSA-N 2 1 264.413 2.164 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN(CC)C2=O)CC1 ZINC000659846848 415727870 /nfs/dbraw/zinc/72/78/70/415727870.db2.gz JNGBTPAUYCUAOX-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP COc1cccc(SCC[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000662263499 415728150 /nfs/dbraw/zinc/72/81/50/415728150.db2.gz BVJAAZOMTMUPPR-STQMWFEESA-N 2 1 280.437 2.456 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)C1CCCCC1 ZINC000662264803 415729457 /nfs/dbraw/zinc/72/94/57/415729457.db2.gz MIXWATZDZJBXFE-KCQAQPDRSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250189 415710797 /nfs/dbraw/zinc/71/07/97/415710797.db2.gz AGRHETNENDOAIE-AAEUAGOBSA-N 2 1 296.361 2.479 20 0 CEADMP CCc1nocc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662276777 415742871 /nfs/dbraw/zinc/74/28/71/415742871.db2.gz PSCXXFFYLRHNBC-WFASDCNBSA-N 2 1 263.385 2.201 20 0 CEADMP CCc1nocc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662276777 415742875 /nfs/dbraw/zinc/74/28/75/415742875.db2.gz PSCXXFFYLRHNBC-WFASDCNBSA-N 2 1 263.385 2.201 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)CCCO1 ZINC000662280298 415746699 /nfs/dbraw/zinc/74/66/99/415746699.db2.gz CFTLNDJPCHMKDO-HOTGVXAUSA-N 2 1 274.408 2.156 20 0 CEADMP CCc1nnc([C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)[nH]1 ZINC000662295616 415760250 /nfs/dbraw/zinc/76/02/50/415760250.db2.gz VSUCIPGAYDNFIQ-OCCSQVGLSA-N 2 1 291.443 2.140 20 0 CEADMP CC(C)c1noc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662297568 415763160 /nfs/dbraw/zinc/76/31/60/415763160.db2.gz RIAYAJAYJJYDIB-AWEZNQCLSA-N 2 1 292.427 2.405 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000662305938 415767247 /nfs/dbraw/zinc/76/72/47/415767247.db2.gz LGZSEBLREIDXDY-HNNXBMFYSA-N 2 1 256.434 2.105 20 0 CEADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662317807 415776121 /nfs/dbraw/zinc/77/61/21/415776121.db2.gz SSZLTGINBODNSD-GJZGRUSLSA-N 2 1 264.413 2.020 20 0 CEADMP COCC[NH2+]C1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC000662283612 415752016 /nfs/dbraw/zinc/75/20/16/415752016.db2.gz BORLGAHZJZFVAL-QGZVFWFLSA-N 2 1 292.423 2.075 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662285751 415752222 /nfs/dbraw/zinc/75/22/22/415752222.db2.gz MYHYLRFHUQQSRX-KKUMJFAQSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(C3CC3)no2)C[C@H]1C[NH3+] ZINC000662284077 415753547 /nfs/dbraw/zinc/75/35/47/415753547.db2.gz SRQJSHHEQAISEQ-NTZNESFSSA-N 2 1 263.385 2.357 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1C[NH3+] ZINC000662284077 415753551 /nfs/dbraw/zinc/75/35/51/415753551.db2.gz SRQJSHHEQAISEQ-NTZNESFSSA-N 2 1 263.385 2.357 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000662286128 415756373 /nfs/dbraw/zinc/75/63/73/415756373.db2.gz OIZCTAFHMWZAJE-NYXISSTPSA-N 2 1 278.440 2.251 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000662419998 415835077 /nfs/dbraw/zinc/83/50/77/415835077.db2.gz AYTFBNXHWKEOEG-HOTGVXAUSA-N 2 1 297.487 2.234 20 0 CEADMP CN(c1ccccc1)[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000662317464 415779700 /nfs/dbraw/zinc/77/97/00/415779700.db2.gz PTTAFGIRIIXQIV-WBVHZDCISA-N 2 1 273.424 2.197 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C1CCCC1 ZINC000659926135 415785184 /nfs/dbraw/zinc/78/51/84/415785184.db2.gz LYCVPIBENGIODB-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@@](C)(C(F)F)O1 ZINC000662334677 415786372 /nfs/dbraw/zinc/78/63/72/415786372.db2.gz BTOWKODBMPFCGJ-RISCZKNCSA-N 2 1 276.371 2.121 20 0 CEADMP CN(Cc1cnc2ccccc2n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000659945340 415796756 /nfs/dbraw/zinc/79/67/56/415796756.db2.gz AXJZPGFHPYDAAR-CQSZACIVSA-N 2 1 284.407 2.403 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CCC[C@@H]1C ZINC000659953107 415802275 /nfs/dbraw/zinc/80/22/75/415802275.db2.gz SISLKFSGVNASCT-ILXRZTDVSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000659953107 415802280 /nfs/dbraw/zinc/80/22/80/415802280.db2.gz SISLKFSGVNASCT-ILXRZTDVSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000659953107 415802284 /nfs/dbraw/zinc/80/22/84/415802284.db2.gz SISLKFSGVNASCT-ILXRZTDVSA-N 2 1 256.434 2.198 20 0 CEADMP FC1(F)C[C@@H]1OCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659955870 415807505 /nfs/dbraw/zinc/80/75/05/415807505.db2.gz FIBLNUOZYDSPTM-KGLIPLIRSA-N 2 1 288.382 2.218 20 0 CEADMP FC1(F)C[C@@H]1OCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659955870 415807508 /nfs/dbraw/zinc/80/75/08/415807508.db2.gz FIBLNUOZYDSPTM-KGLIPLIRSA-N 2 1 288.382 2.218 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000659983389 415825981 /nfs/dbraw/zinc/82/59/81/415825981.db2.gz KUFDNLCBCLZPKI-YYIAUSFCSA-N 2 1 281.488 2.379 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000659983389 415825985 /nfs/dbraw/zinc/82/59/85/415825985.db2.gz KUFDNLCBCLZPKI-YYIAUSFCSA-N 2 1 281.488 2.379 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000659983389 415825990 /nfs/dbraw/zinc/82/59/90/415825990.db2.gz KUFDNLCBCLZPKI-YYIAUSFCSA-N 2 1 281.488 2.379 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCO[C@H]2CC2(F)F)C1 ZINC000659982283 415826930 /nfs/dbraw/zinc/82/69/30/415826930.db2.gz JFPBGBWNMZAPMZ-OLZOCXBDSA-N 2 1 276.371 2.074 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCO[C@H]2CC2(F)F)C1 ZINC000659982283 415826935 /nfs/dbraw/zinc/82/69/35/415826935.db2.gz JFPBGBWNMZAPMZ-OLZOCXBDSA-N 2 1 276.371 2.074 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000659982283 415826938 /nfs/dbraw/zinc/82/69/38/415826938.db2.gz JFPBGBWNMZAPMZ-OLZOCXBDSA-N 2 1 276.371 2.074 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000659982283 415826945 /nfs/dbraw/zinc/82/69/45/415826945.db2.gz JFPBGBWNMZAPMZ-OLZOCXBDSA-N 2 1 276.371 2.074 20 0 CEADMP C[C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[N@H+]1CCCC[C@@H]1C ZINC000662678868 415929728 /nfs/dbraw/zinc/92/97/28/415929728.db2.gz JDSUNKNNDMDCJQ-UONOGXRCSA-N 2 1 293.455 2.040 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C2(CCC2)C1 ZINC000660167793 415913283 /nfs/dbraw/zinc/91/32/83/415913283.db2.gz OHCMXNIGLGKSFN-CABCVRRESA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000660167793 415913286 /nfs/dbraw/zinc/91/32/86/415913286.db2.gz OHCMXNIGLGKSFN-CABCVRRESA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000660167793 415913292 /nfs/dbraw/zinc/91/32/92/415913292.db2.gz OHCMXNIGLGKSFN-CABCVRRESA-N 2 1 268.445 2.200 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662749275 415951290 /nfs/dbraw/zinc/95/12/90/415951290.db2.gz BYTVVAXYQIKGDF-CQDKDKBSSA-N 2 1 298.390 2.095 20 0 CEADMP COCC1(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000566738384 299019284 /nfs/dbraw/zinc/01/92/84/299019284.db2.gz YFXDVPOLMOBUSN-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000567274565 299048619 /nfs/dbraw/zinc/04/86/19/299048619.db2.gz ZWUSSBLPHNVDNP-JKSUJKDBSA-N 2 1 295.471 2.289 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000666798882 419435279 /nfs/dbraw/zinc/43/52/79/419435279.db2.gz PXZSJLMYOPKFIZ-INIZCTEOSA-N 2 1 289.423 2.042 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000666966074 419499044 /nfs/dbraw/zinc/49/90/44/419499044.db2.gz GYTGRWABTZMRQZ-SWLSCSKDSA-N 2 1 260.381 2.283 20 0 CEADMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](CN)C(C)(C)C)cc1 ZINC000666981124 419500513 /nfs/dbraw/zinc/50/05/13/419500513.db2.gz DRXCRAWRNXMGGN-INIZCTEOSA-N 2 1 293.455 2.090 20 0 CEADMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000666981124 419500519 /nfs/dbraw/zinc/50/05/19/419500519.db2.gz DRXCRAWRNXMGGN-INIZCTEOSA-N 3 1 293.455 2.090 20 0 CEADMP Cc1cc(C)n2c(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cnc2n1 ZINC000666996869 419508928 /nfs/dbraw/zinc/50/89/28/419508928.db2.gz JRJNIKWIVPMQGZ-AWEZNQCLSA-N 2 1 299.422 2.110 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc3n2CCC3)C[C@H]1C ZINC000667664770 419762593 /nfs/dbraw/zinc/76/25/93/419762593.db2.gz SHSKRUPRWUZXQI-ZIAGYGMSSA-N 2 1 276.428 2.134 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](OC(F)F)C2)CC[NH2+]1 ZINC000666654578 419764716 /nfs/dbraw/zinc/76/47/16/419764716.db2.gz YACFMDXKDCPBGQ-UTUOFQBUSA-N 2 1 262.344 2.078 20 0 CEADMP Cc1[nH+]cc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)n1C ZINC000667668135 419765204 /nfs/dbraw/zinc/76/52/04/419765204.db2.gz CYMWXCJWHQHNLB-AWEZNQCLSA-N 2 1 264.417 2.035 20 0 CEADMP Cc1[nH+]cc(CN(C)CC[C@@H]2CCCC[N@H+]2C)n1C ZINC000667668135 419765209 /nfs/dbraw/zinc/76/52/09/419765209.db2.gz CYMWXCJWHQHNLB-AWEZNQCLSA-N 2 1 264.417 2.035 20 0 CEADMP c1nc2n(c1C[N@H+]1CCC[C@@]3(CCCOC3)C1)CCC2 ZINC000667666267 419765336 /nfs/dbraw/zinc/76/53/36/419765336.db2.gz HNZRXULESGWMMB-MRXNPFEDSA-N 2 1 275.396 2.222 20 0 CEADMP Cc1cccc2[nH]c(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc21 ZINC000667712345 419778966 /nfs/dbraw/zinc/77/89/66/419778966.db2.gz CUNFRZIUEHHVKR-BETUJISGSA-N 2 1 255.365 2.128 20 0 CEADMP Cc1cccc2[nH]c(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc21 ZINC000667712345 419778972 /nfs/dbraw/zinc/77/89/72/419778972.db2.gz CUNFRZIUEHHVKR-BETUJISGSA-N 2 1 255.365 2.128 20 0 CEADMP CC(C)[C@@H]1CC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667758718 419791627 /nfs/dbraw/zinc/79/16/27/419791627.db2.gz MSADAJZFVVBXES-HNNXBMFYSA-N 2 1 256.353 2.498 20 0 CEADMP C[N@@H+](CCN[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000517589075 260196931 /nfs/dbraw/zinc/19/69/31/260196931.db2.gz YDGANCKVVSUTNN-KBPBESRZSA-N 2 1 253.434 2.110 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(Br)c1 ZINC000235462265 260280060 /nfs/dbraw/zinc/28/00/60/260280060.db2.gz YRRSABQUFOUUPG-RKDXNWHRSA-N 2 1 257.175 2.447 20 0 CEADMP CN(C)C(=O)O[C@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000497285274 262134655 /nfs/dbraw/zinc/13/46/55/262134655.db2.gz SSYPOUQWXYYGDM-GJZGRUSLSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)O[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000497285274 262134657 /nfs/dbraw/zinc/13/46/57/262134657.db2.gz SSYPOUQWXYYGDM-GJZGRUSLSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)O[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000497285274 262134659 /nfs/dbraw/zinc/13/46/59/262134659.db2.gz SSYPOUQWXYYGDM-GJZGRUSLSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)O[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000497285274 262134660 /nfs/dbraw/zinc/13/46/60/262134660.db2.gz SSYPOUQWXYYGDM-GJZGRUSLSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)O[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000497285274 262134661 /nfs/dbraw/zinc/13/46/61/262134661.db2.gz SSYPOUQWXYYGDM-GJZGRUSLSA-N 2 1 297.443 2.023 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CC1 ZINC000188619048 262327172 /nfs/dbraw/zinc/32/71/72/262327172.db2.gz RXTIRTKXKSHVGG-WCQYABFASA-N 2 1 294.361 2.154 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000261527435 274237289 /nfs/dbraw/zinc/23/72/89/274237289.db2.gz BBUKPLVPPKEUTA-RKDXNWHRSA-N 2 1 257.175 2.274 20 0 CEADMP COC[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000452075129 263034315 /nfs/dbraw/zinc/03/43/15/263034315.db2.gz ANTJSXWVRGUIFB-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000452075129 263034316 /nfs/dbraw/zinc/03/43/16/263034316.db2.gz ANTJSXWVRGUIFB-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000452075129 263034317 /nfs/dbraw/zinc/03/43/17/263034317.db2.gz ANTJSXWVRGUIFB-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCOC[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000453411760 263268763 /nfs/dbraw/zinc/26/87/63/263268763.db2.gz BIUQBOJJCRISNF-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP CCOC[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000453411760 263268764 /nfs/dbraw/zinc/26/87/64/263268764.db2.gz BIUQBOJJCRISNF-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@@H](O)Cc3ccccc3)CC[C@@H]21 ZINC000425427342 264314736 /nfs/dbraw/zinc/31/47/36/264314736.db2.gz UISDVANYIRAZCQ-BZSNNMDCSA-N 2 1 288.435 2.006 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@@H](O)Cc3ccccc3)CC[C@@H]21 ZINC000425427342 264314738 /nfs/dbraw/zinc/31/47/38/264314738.db2.gz UISDVANYIRAZCQ-BZSNNMDCSA-N 2 1 288.435 2.006 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)CC[C@@H]21 ZINC000425427342 264314741 /nfs/dbraw/zinc/31/47/41/264314741.db2.gz UISDVANYIRAZCQ-BZSNNMDCSA-N 2 1 288.435 2.006 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCOCC(F)F)CC1 ZINC000189502518 270262562 /nfs/dbraw/zinc/26/25/62/270262562.db2.gz ZQPKGVJGWMJRCO-UHFFFAOYSA-N 2 1 264.360 2.074 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cccc3nsnc32)C1 ZINC000269041819 270331295 /nfs/dbraw/zinc/33/12/95/270331295.db2.gz VKMLSDPJQJQNMN-GFCCVEGCSA-N 2 1 290.436 2.465 20 0 CEADMP Cc1ncsc1CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000391218951 270340086 /nfs/dbraw/zinc/34/00/86/270340086.db2.gz YFRQVOLBYNOKAI-JQWIXIFHSA-N 2 1 253.415 2.114 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H](CC)O1 ZINC000420962101 270578534 /nfs/dbraw/zinc/57/85/34/270578534.db2.gz TXLKQPXQGMCKDL-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@H](CC)O1 ZINC000420962101 270578537 /nfs/dbraw/zinc/57/85/37/270578537.db2.gz TXLKQPXQGMCKDL-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H](CC)O1 ZINC000420962101 270578538 /nfs/dbraw/zinc/57/85/38/270578538.db2.gz TXLKQPXQGMCKDL-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H](CC)O1 ZINC000420962101 270578541 /nfs/dbraw/zinc/57/85/41/270578541.db2.gz TXLKQPXQGMCKDL-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]1 ZINC000422822582 270785402 /nfs/dbraw/zinc/78/54/02/270785402.db2.gz KDPLNHOQZOSUHZ-TZMCWYRMSA-N 2 1 290.407 2.423 20 0 CEADMP COc1ccc(-n2ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])n2)cc1 ZINC000422937897 270803004 /nfs/dbraw/zinc/80/30/04/270803004.db2.gz DDHPWXKCENHNGA-QWHCGFSZSA-N 2 1 288.395 2.096 20 0 CEADMP CC[C@@H]([NH2+][C@@H](CO)Cc1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000423064234 270825540 /nfs/dbraw/zinc/82/55/40/270825540.db2.gz YNTQEKIBHIQBRN-ZACQAIPSSA-N 2 1 276.424 2.019 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423265050 270884277 /nfs/dbraw/zinc/88/42/77/270884277.db2.gz QOZLNKHRXYINIQ-CABCVRRESA-N 2 1 262.397 2.343 20 0 CEADMP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)[C@H]1CCCO1 ZINC000423286010 270889664 /nfs/dbraw/zinc/88/96/64/270889664.db2.gz ZEPSVSJRPPBKGX-DZGCQCFKSA-N 2 1 254.418 2.456 20 0 CEADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](C)C[NH3+])CC1 ZINC000423302123 270892756 /nfs/dbraw/zinc/89/27/56/270892756.db2.gz HCKQRACBHFILOS-JKSUJKDBSA-N 3 1 289.467 2.266 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000423386981 270908022 /nfs/dbraw/zinc/90/80/22/270908022.db2.gz SFVQEMLUJFVUFK-LRDDRELGSA-N 2 1 287.407 2.015 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c(OC)c1 ZINC000423400070 270909755 /nfs/dbraw/zinc/90/97/55/270909755.db2.gz WJPODSQYECVWDL-AVGNSLFASA-N 2 1 278.396 2.495 20 0 CEADMP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423506586 270919679 /nfs/dbraw/zinc/91/96/79/270919679.db2.gz HFHPPDJQEPXRIM-RYUDHWBXSA-N 2 1 254.399 2.086 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000423764300 270942346 /nfs/dbraw/zinc/94/23/46/270942346.db2.gz SMYQTXLXVQYIQU-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)CC1 ZINC000424251692 271034258 /nfs/dbraw/zinc/03/42/58/271034258.db2.gz CLNSEJJRSIVCBU-SDSIWUNFSA-N 2 1 266.429 2.264 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](C1CCC1)C1CCCCC1 ZINC000424325560 271045939 /nfs/dbraw/zinc/04/59/39/271045939.db2.gz XOZXSERJMVWHIB-HOTGVXAUSA-N 2 1 268.445 2.248 20 0 CEADMP CCCC[C@@H]([NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424337455 271048577 /nfs/dbraw/zinc/04/85/77/271048577.db2.gz LMVQDFWBKIXCAR-SNVBAGLBSA-N 2 1 252.362 2.378 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC2(OC)CCC2)C1 ZINC000429524303 271335612 /nfs/dbraw/zinc/33/56/12/271335612.db2.gz VYBPEFBVVXGDPE-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP COC1(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000429517691 271336831 /nfs/dbraw/zinc/33/68/31/271336831.db2.gz NWDSKXVRNAUZPW-KBPBESRZSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430596471 271397668 /nfs/dbraw/zinc/39/76/68/271397668.db2.gz OJJAWQAHXCPJGD-INIZCTEOSA-N 2 1 295.402 2.426 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430599670 271398299 /nfs/dbraw/zinc/39/82/99/271398299.db2.gz GHVNLHHEBYTDIS-KFWWJZLASA-N 2 1 254.418 2.252 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)[C@H](C)C1 ZINC000433060649 271517440 /nfs/dbraw/zinc/51/74/40/271517440.db2.gz ZQECQYVBYCYQEV-HUUCEWRRSA-N 2 1 280.456 2.249 20 0 CEADMP CCOCCC[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435736307 271636142 /nfs/dbraw/zinc/63/61/42/271636142.db2.gz WDWKXVVPLBQBPF-AWEZNQCLSA-N 2 1 297.468 2.290 20 0 CEADMP CCOCCC[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435736307 271636146 /nfs/dbraw/zinc/63/61/46/271636146.db2.gz WDWKXVVPLBQBPF-AWEZNQCLSA-N 2 1 297.468 2.290 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000358294133 274335287 /nfs/dbraw/zinc/33/52/87/274335287.db2.gz YMVDKGMJOMFMNE-QLFBSQMISA-N 2 1 290.407 2.146 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000289294039 274391620 /nfs/dbraw/zinc/39/16/20/274391620.db2.gz RJQKYSGDGDVTEN-CKEIUWERSA-N 2 1 274.408 2.281 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCCS1 ZINC000310256317 275394565 /nfs/dbraw/zinc/39/45/65/275394565.db2.gz LGFKGNSBSITGCU-AWEZNQCLSA-N 2 1 254.443 2.489 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCSC1 ZINC000336707151 275396137 /nfs/dbraw/zinc/39/61/37/275396137.db2.gz NFVOSPKMCXDZLW-IHRRRGAJSA-N 2 1 254.443 2.346 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCCS1 ZINC000250876905 275396152 /nfs/dbraw/zinc/39/61/52/275396152.db2.gz UICPBKZDGRCAFJ-MELADBBJSA-N 2 1 254.443 2.489 20 0 CEADMP CCC[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000337304198 276040173 /nfs/dbraw/zinc/04/01/73/276040173.db2.gz RIAXOVPPSVTKCH-PMPSAXMXSA-N 2 1 267.461 2.133 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2cccc(O)c2)CC1 ZINC000360245832 276151864 /nfs/dbraw/zinc/15/18/64/276151864.db2.gz QWYUSDMFBDBKDQ-CYBMUJFWSA-N 2 1 262.397 2.397 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCC(C)(C)C3)C2)CC1 ZINC000368634068 276201397 /nfs/dbraw/zinc/20/13/97/276201397.db2.gz TYCHXUYIWRRBAK-HOTGVXAUSA-N 2 1 279.472 2.277 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)[C@H](C)C1 ZINC000356792588 276228526 /nfs/dbraw/zinc/22/85/26/276228526.db2.gz UQWJDDBQWVZYFM-CABCVRRESA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)[C@H](C)C1 ZINC000356792588 276228528 /nfs/dbraw/zinc/22/85/28/276228528.db2.gz UQWJDDBQWVZYFM-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+](CC)CCC[N@H+](CCO)Cc1ccccc1 ZINC000191478091 276324037 /nfs/dbraw/zinc/32/40/37/276324037.db2.gz AGFHGCRPDVBRPT-UHFFFAOYSA-N 2 1 264.413 2.213 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](CCO)Cc1ccccc1 ZINC000191478091 276324038 /nfs/dbraw/zinc/32/40/38/276324038.db2.gz AGFHGCRPDVBRPT-UHFFFAOYSA-N 2 1 264.413 2.213 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCSC(C)(C)C)C2)CC1 ZINC000376764388 276386287 /nfs/dbraw/zinc/38/62/87/276386287.db2.gz LMJMNKKCNNVTTI-OAHLLOKOSA-N 2 1 299.528 2.230 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC2CCC2)[C@H](C)C1 ZINC000346971853 276399622 /nfs/dbraw/zinc/39/96/22/276399622.db2.gz BMNSAEAGVBLMNG-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC2CCC2)[C@H](C)C1 ZINC000346971853 276399623 /nfs/dbraw/zinc/39/96/23/276399623.db2.gz BMNSAEAGVBLMNG-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC2CCC2)[C@H](C)C1 ZINC000346971853 276399624 /nfs/dbraw/zinc/39/96/24/276399624.db2.gz BMNSAEAGVBLMNG-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000361219127 276802059 /nfs/dbraw/zinc/80/20/59/276802059.db2.gz AJLGVBSWVWOSGD-IXDOHACOSA-N 2 1 276.424 2.225 20 0 CEADMP C[NH+]1CCC(C[NH2+][C@@H]2C[C@H](N)c3ccccc32)CC1 ZINC000132065140 277026623 /nfs/dbraw/zinc/02/66/23/277026623.db2.gz VCMCYAHNEXQUKC-JKSUJKDBSA-N 2 1 259.397 2.063 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(C1)CCOCC2 ZINC000336062290 277045864 /nfs/dbraw/zinc/04/58/64/277045864.db2.gz HAPKUXWYNNZBSW-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC2(C1)CCOCC2 ZINC000336062290 277045865 /nfs/dbraw/zinc/04/58/65/277045865.db2.gz HAPKUXWYNNZBSW-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC2(C1)CCOCC2 ZINC000336062290 277045866 /nfs/dbraw/zinc/04/58/66/277045866.db2.gz HAPKUXWYNNZBSW-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252851550 277074801 /nfs/dbraw/zinc/07/48/01/277074801.db2.gz IEHCLMNEKHNWBD-XIRDDKMYSA-N 2 1 287.407 2.204 20 0 CEADMP CC(C)(C)CC[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000355740250 277143297 /nfs/dbraw/zinc/14/32/97/277143297.db2.gz YRKZKZPEJAPBIB-ZNMIVQPWSA-N 2 1 268.445 2.390 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000335935431 277159139 /nfs/dbraw/zinc/15/91/39/277159139.db2.gz QAMAHPBSUJOXNU-GOEBONIOSA-N 2 1 266.429 2.146 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000335935431 277159141 /nfs/dbraw/zinc/15/91/41/277159141.db2.gz QAMAHPBSUJOXNU-GOEBONIOSA-N 2 1 266.429 2.146 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000341915156 277286653 /nfs/dbraw/zinc/28/66/53/277286653.db2.gz XVHFLCMKFLKEBW-NJVJYBDUSA-N 2 1 254.418 2.120 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339427442 277366286 /nfs/dbraw/zinc/36/62/86/277366286.db2.gz UXGQJLYCBXDIIP-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339427442 277366287 /nfs/dbraw/zinc/36/62/87/277366287.db2.gz UXGQJLYCBXDIIP-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339427442 277366288 /nfs/dbraw/zinc/36/62/88/277366288.db2.gz UXGQJLYCBXDIIP-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP C[C@@H]1C[C@H](NCC2([NH+](C)C)CCCC2)C[N@@H+]1C1CC1 ZINC000128597205 278025195 /nfs/dbraw/zinc/02/51/95/278025195.db2.gz SYDIDZSEDMBEJY-KGLIPLIRSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](NCC2([NH+](C)C)CCCC2)C[N@H+]1C1CC1 ZINC000128597205 278025198 /nfs/dbraw/zinc/02/51/98/278025198.db2.gz SYDIDZSEDMBEJY-KGLIPLIRSA-N 2 1 265.445 2.076 20 0 CEADMP CSCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000370620146 278129370 /nfs/dbraw/zinc/12/93/70/278129370.db2.gz LJPILGFZQPWFBZ-SOUVJXGZSA-N 2 1 286.485 2.219 20 0 CEADMP C[C@H](C[S@@](C)=O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000346362889 278219014 /nfs/dbraw/zinc/21/90/14/278219014.db2.gz LMXYERCTBLQMBV-BFUOFWGJSA-N 2 1 286.485 2.140 20 0 CEADMP CC(C)(C)CC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414781884 278315798 /nfs/dbraw/zinc/31/57/98/278315798.db2.gz NQMUCTVKWOQEFX-ZDUSSCGKSA-N 2 1 254.418 2.110 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000246240161 278333145 /nfs/dbraw/zinc/33/31/45/278333145.db2.gz IQPHITDTJJJJIS-LSDHHAIUSA-N 2 1 295.471 2.227 20 0 CEADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000128085069 278389958 /nfs/dbraw/zinc/38/99/58/278389958.db2.gz TZKHIDDWELMKAE-MGPQQGTHSA-N 2 1 252.402 2.160 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)CCC(C)C)C1 ZINC000361297786 279125039 /nfs/dbraw/zinc/12/50/39/279125039.db2.gz AMBGHFVSVABUPL-JKSUJKDBSA-N 2 1 270.461 2.447 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000414736359 279179777 /nfs/dbraw/zinc/17/97/77/279179777.db2.gz HRJHDIWSVPISBJ-GJZGRUSLSA-N 2 1 254.418 2.252 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(C)C ZINC000340515501 279207176 /nfs/dbraw/zinc/20/71/76/279207176.db2.gz QZSOZLFINWXXNK-KFWWJZLASA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(C)C ZINC000340515501 279207178 /nfs/dbraw/zinc/20/71/78/279207178.db2.gz QZSOZLFINWXXNK-KFWWJZLASA-N 2 1 266.429 2.264 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000246935545 279257218 /nfs/dbraw/zinc/25/72/18/279257218.db2.gz GSIUYEFMQOGGEU-BFYDXBDKSA-N 3 1 281.488 2.427 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000246935545 279257221 /nfs/dbraw/zinc/25/72/21/279257221.db2.gz GSIUYEFMQOGGEU-BFYDXBDKSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])C1CCCC1 ZINC000352512092 279277670 /nfs/dbraw/zinc/27/76/70/279277670.db2.gz VTCHGILQBFHGFL-HNNXBMFYSA-N 2 1 295.471 2.369 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])C1CCCC1 ZINC000352512092 279277671 /nfs/dbraw/zinc/27/76/71/279277671.db2.gz VTCHGILQBFHGFL-HNNXBMFYSA-N 2 1 295.471 2.369 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])C1CCCC1 ZINC000352512093 279278007 /nfs/dbraw/zinc/27/80/07/279278007.db2.gz VTCHGILQBFHGFL-OAHLLOKOSA-N 2 1 295.471 2.369 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])C1CCCC1 ZINC000352512093 279278009 /nfs/dbraw/zinc/27/80/09/279278009.db2.gz VTCHGILQBFHGFL-OAHLLOKOSA-N 2 1 295.471 2.369 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227538312 279387689 /nfs/dbraw/zinc/38/76/89/279387689.db2.gz KBYKMHIEIUGRQS-KCPJHIHWSA-N 2 1 256.353 2.006 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H](C)Cn3cccn3)CC2)[nH+]1 ZINC000137467107 280068435 /nfs/dbraw/zinc/06/84/35/280068435.db2.gz CALAPSUKSSEFQN-HNNXBMFYSA-N 2 1 299.422 2.234 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNCc2cc(O)cc(F)c2)C1 ZINC000185487407 280124834 /nfs/dbraw/zinc/12/48/34/280124834.db2.gz FRNNRHQOCODEHD-LBPRGKRZSA-N 2 1 266.360 2.353 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000191777586 280175071 /nfs/dbraw/zinc/17/50/71/280175071.db2.gz ZKPZNYKAZWQPMJ-UHFFFAOYSA-N 3 1 269.477 2.382 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000237515983 280231283 /nfs/dbraw/zinc/23/12/83/280231283.db2.gz SEUPURQPXLEFOO-GJZGRUSLSA-N 2 1 295.471 2.084 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC(C)(C)C)[C@@H](C)C1 ZINC000245424802 280239246 /nfs/dbraw/zinc/23/92/46/280239246.db2.gz KHSCNXORVZDJMT-KBPBESRZSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC(C)(C)C)[C@@H](C)C1 ZINC000245424802 280239248 /nfs/dbraw/zinc/23/92/48/280239248.db2.gz KHSCNXORVZDJMT-KBPBESRZSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC(C)(C)C)[C@@H](C)C1 ZINC000245424802 280239251 /nfs/dbraw/zinc/23/92/51/280239251.db2.gz KHSCNXORVZDJMT-KBPBESRZSA-N 2 1 256.434 2.464 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000245544823 280248516 /nfs/dbraw/zinc/24/85/16/280248516.db2.gz BSMOBIBYVIYPFZ-FPCVCCKLSA-N 2 1 278.440 2.266 20 0 CEADMP Cc1cc(Br)cc2c1[C@H]([NH2+]CC[NH3+])CC2 ZINC000335562254 280308751 /nfs/dbraw/zinc/30/87/51/280308751.db2.gz AQNJBJIBGKALPI-LLVKDONJSA-N 2 1 269.186 2.293 20 0 CEADMP Cc1ncsc1CC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000246951399 280315596 /nfs/dbraw/zinc/31/55/96/280315596.db2.gz RCQDUQRVCQEZOW-AAEUAGOBSA-N 2 1 267.442 2.409 20 0 CEADMP Cc1ncsc1CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246951399 280315597 /nfs/dbraw/zinc/31/55/97/280315597.db2.gz RCQDUQRVCQEZOW-AAEUAGOBSA-N 2 1 267.442 2.409 20 0 CEADMP Cc1ncsc1CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246951399 280315598 /nfs/dbraw/zinc/31/55/98/280315598.db2.gz RCQDUQRVCQEZOW-AAEUAGOBSA-N 2 1 267.442 2.409 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)C(C)C ZINC000422989637 280984906 /nfs/dbraw/zinc/98/49/06/280984906.db2.gz AYORRKFFAUWNCI-HOTGVXAUSA-N 3 1 269.477 2.473 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000423027815 280999370 /nfs/dbraw/zinc/99/93/70/280999370.db2.gz DZCSJGFVVVACNN-WOPDTQHZSA-N 2 1 251.349 2.259 20 0 CEADMP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c(-c2ccccc2)n1 ZINC000423033300 281003821 /nfs/dbraw/zinc/00/38/21/281003821.db2.gz OCMVMMGQJNETSM-LSDHHAIUSA-N 2 1 270.380 2.057 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000423043707 281006153 /nfs/dbraw/zinc/00/61/53/281006153.db2.gz PTCGSKZNSQLIRP-QLFBSQMISA-N 3 1 267.461 2.356 20 0 CEADMP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423404816 281030550 /nfs/dbraw/zinc/03/05/50/281030550.db2.gz SUMGIANJAHRWEO-VWYCJHECSA-N 2 1 254.399 2.405 20 0 CEADMP CCc1nc2c(s1)[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])CCC2 ZINC000423440307 281043604 /nfs/dbraw/zinc/04/36/04/281043604.db2.gz IMRBPROQGNESJL-KXUCPTDWSA-N 2 1 253.415 2.408 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000423464156 281048121 /nfs/dbraw/zinc/04/81/21/281048121.db2.gz LWIPVCBGEYWMQL-NWDGAFQWSA-N 2 1 266.385 2.400 20 0 CEADMP N[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000423465276 281048791 /nfs/dbraw/zinc/04/87/91/281048791.db2.gz HMXGTQQMGHQSJY-OJDYBEQGSA-N 2 1 259.397 2.238 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000423729134 281084612 /nfs/dbraw/zinc/08/46/12/281084612.db2.gz NRWFNESWLWZIBX-LJISPDSOSA-N 2 1 295.471 2.224 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000423770801 281088804 /nfs/dbraw/zinc/08/88/04/281088804.db2.gz IJTHFRMLPLOWMA-HOCLYGCPSA-N 2 1 291.439 2.231 20 0 CEADMP CC(C)n1cncc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000424147593 281122509 /nfs/dbraw/zinc/12/25/09/281122509.db2.gz RTHFJYZGUNTKFE-UONOGXRCSA-N 2 1 264.417 2.426 20 0 CEADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424277760 281143188 /nfs/dbraw/zinc/14/31/88/281143188.db2.gz CHZHSQSHETUAER-UKPHBRMFSA-N 2 1 291.414 2.037 20 0 CEADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424277754 281143248 /nfs/dbraw/zinc/14/32/48/281143248.db2.gz CHZHSQSHETUAER-FRFSOERESA-N 2 1 291.414 2.037 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000424382152 281155444 /nfs/dbraw/zinc/15/54/44/281155444.db2.gz ZXNSISCWEXUCIF-MRVWCRGKSA-N 2 1 250.390 2.385 20 0 CEADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[NH3+])c1 ZINC000428764447 281200160 /nfs/dbraw/zinc/20/01/60/281200160.db2.gz GHAPORDKMRMNJT-UHFFFAOYSA-N 2 1 297.402 2.007 20 0 CEADMP C[C@@H]1CC[C@@H]([N@@H+](CCO)CCC[NH+]2CCCCC2)C1 ZINC000429763087 281253011 /nfs/dbraw/zinc/25/30/11/281253011.db2.gz FDEMCVBKPYXRBT-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP C[C@H]1CC[C@H]([N@@H+](CCO)CCC[NH+]2CCCCC2)C1 ZINC000429763086 281253104 /nfs/dbraw/zinc/25/31/04/281253104.db2.gz FDEMCVBKPYXRBT-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP CCCCc1noc([C@H](C)[NH+]2CCC(C[NH3+])CC2)n1 ZINC000430630184 281271505 /nfs/dbraw/zinc/27/15/05/281271505.db2.gz RHHBRUJPKBEKBU-NSHDSACASA-N 2 1 266.389 2.144 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000430941039 281284233 /nfs/dbraw/zinc/28/42/33/281284233.db2.gz TWIBIORSKJUINA-XJKSGUPXSA-N 2 1 262.397 2.297 20 0 CEADMP CC[C@]1(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC[NH2+]C1 ZINC000363533767 281301677 /nfs/dbraw/zinc/30/16/77/281301677.db2.gz JJHQPJPKQSMAEH-WBVHZDCISA-N 2 1 295.471 2.004 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC2(C)CCC2)CC1 ZINC000432816391 281342777 /nfs/dbraw/zinc/34/27/77/281342777.db2.gz PNGBUZKSNTTXAE-MRXNPFEDSA-N 2 1 279.472 2.279 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](c2ccccc2)C1)C1CC1 ZINC000433044425 281361848 /nfs/dbraw/zinc/36/18/48/281361848.db2.gz MYBMCRSFOUIQNF-AEFFLSMTSA-N 2 1 288.435 2.321 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](c2ccccc2)C1)C1CC1 ZINC000433044425 281361851 /nfs/dbraw/zinc/36/18/51/281361851.db2.gz MYBMCRSFOUIQNF-AEFFLSMTSA-N 2 1 288.435 2.321 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](c2ccccc2)C1)C1CC1 ZINC000433044425 281361853 /nfs/dbraw/zinc/36/18/53/281361853.db2.gz MYBMCRSFOUIQNF-AEFFLSMTSA-N 2 1 288.435 2.321 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)C1)C1CC1 ZINC000433044425 281361855 /nfs/dbraw/zinc/36/18/55/281361855.db2.gz MYBMCRSFOUIQNF-AEFFLSMTSA-N 2 1 288.435 2.321 20 0 CEADMP CC[N@@H+](Cc1ccc(OC)c(O)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435392007 281387527 /nfs/dbraw/zinc/38/75/27/281387527.db2.gz VIBMGBFVXMUISQ-CQSZACIVSA-N 2 1 278.396 2.365 20 0 CEADMP CC(C)C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435424001 281389578 /nfs/dbraw/zinc/38/95/78/281389578.db2.gz XGEZRLONLGTUAX-CQSZACIVSA-N 2 1 276.428 2.020 20 0 CEADMP CCCC[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435681455 281391022 /nfs/dbraw/zinc/39/10/22/281391022.db2.gz KILDCPQDDGRPBG-CQSZACIVSA-N 2 1 276.428 2.164 20 0 CEADMP CC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435688413 281391557 /nfs/dbraw/zinc/39/15/57/281391557.db2.gz OSTJXDMRIFKOBG-NSHDSACASA-N 2 1 251.399 2.107 20 0 CEADMP CC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435688413 281391558 /nfs/dbraw/zinc/39/15/58/281391558.db2.gz OSTJXDMRIFKOBG-NSHDSACASA-N 2 1 251.399 2.107 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000356319619 282020003 /nfs/dbraw/zinc/02/00/03/282020003.db2.gz ZPVDYPDKSGLECZ-RHSMWYFYSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]c2ccccc2c(N2CC[N@@H+]3CCOC[C@@H]3C2)c1C ZINC000369408915 282073551 /nfs/dbraw/zinc/07/35/51/282073551.db2.gz NQLHACAXQLNLQM-HNNXBMFYSA-N 2 1 297.402 2.372 20 0 CEADMP Cc1[nH+]c2ccccc2c(N2CC[N@H+]3CCOC[C@@H]3C2)c1C ZINC000369408915 282073554 /nfs/dbraw/zinc/07/35/54/282073554.db2.gz NQLHACAXQLNLQM-HNNXBMFYSA-N 2 1 297.402 2.372 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000152884447 289100053 /nfs/dbraw/zinc/10/00/53/289100053.db2.gz ISUFQGNVBDGGMB-CYBMUJFWSA-N 2 1 298.402 2.453 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2c(C)noc2C)[C@H](C)C1 ZINC000153925895 289127729 /nfs/dbraw/zinc/12/77/29/289127729.db2.gz IELAFRPPYXOTEN-YGRLFVJLSA-N 2 1 251.374 2.111 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000156320791 289193485 /nfs/dbraw/zinc/19/34/85/289193485.db2.gz UOJUDZHSFHMZBZ-CQSZACIVSA-N 2 1 297.443 2.070 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1Br ZINC000259037579 289257866 /nfs/dbraw/zinc/25/78/66/289257866.db2.gz PCONPIGPFXNXQV-VXGBXAGGSA-N 2 1 299.212 2.427 20 0 CEADMP CCCOc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000313389005 289282897 /nfs/dbraw/zinc/28/28/97/289282897.db2.gz MBYDMUXDJXCCMA-INIZCTEOSA-N 2 1 278.396 2.025 20 0 CEADMP CCCOc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000313389005 289282898 /nfs/dbraw/zinc/28/28/98/289282898.db2.gz MBYDMUXDJXCCMA-INIZCTEOSA-N 2 1 278.396 2.025 20 0 CEADMP C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000314066937 289283388 /nfs/dbraw/zinc/28/33/88/289283388.db2.gz WIFCDRGWWZBJDX-HUUCEWRRSA-N 2 1 279.428 2.368 20 0 CEADMP C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000314066937 289283390 /nfs/dbraw/zinc/28/33/90/289283390.db2.gz WIFCDRGWWZBJDX-HUUCEWRRSA-N 2 1 279.428 2.368 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@]1(C)CCCO1 ZINC000340185903 290019420 /nfs/dbraw/zinc/01/94/20/290019420.db2.gz FOPHAODUJCRVLF-GBJTYRQASA-N 2 1 252.402 2.160 20 0 CEADMP CCC[NH+]1CCC(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459412295 290140516 /nfs/dbraw/zinc/14/05/16/290140516.db2.gz RLAHYGZZXYHLHL-UHFFFAOYSA-N 3 1 279.472 2.325 20 0 CEADMP Cc1ccc2ncc(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)n2c1 ZINC000459731238 290219875 /nfs/dbraw/zinc/21/98/75/290219875.db2.gz KZOIXBPKYBQUSN-HNNXBMFYSA-N 2 1 286.423 2.464 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459740508 290222919 /nfs/dbraw/zinc/22/29/19/290222919.db2.gz UMKCZABTFQUDSC-OAHLLOKOSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)N1CCC([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459740508 290222921 /nfs/dbraw/zinc/22/29/21/290222921.db2.gz UMKCZABTFQUDSC-OAHLLOKOSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)N1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459740508 290222923 /nfs/dbraw/zinc/22/29/23/290222923.db2.gz UMKCZABTFQUDSC-OAHLLOKOSA-N 2 1 267.461 2.181 20 0 CEADMP CCOc1cccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000459744845 290224727 /nfs/dbraw/zinc/22/47/27/290224727.db2.gz XYDYKJKCMMGZAI-AWEZNQCLSA-N 2 1 277.412 2.302 20 0 CEADMP COCCSCCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000488230728 290384760 /nfs/dbraw/zinc/38/47/60/290384760.db2.gz JGMPZOGLZZTVQB-UHFFFAOYSA-N 2 1 274.474 2.219 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000488351783 290391950 /nfs/dbraw/zinc/39/19/50/290391950.db2.gz MVIQFTQSPJKTKB-SOUVJXGZSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000488421630 290397582 /nfs/dbraw/zinc/39/75/82/290397582.db2.gz SXEPFLZXINXQPT-KGLIPLIRSA-N 2 1 254.418 2.121 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000335058896 295336450 /nfs/dbraw/zinc/33/64/50/295336450.db2.gz JWPHQOZBWJNWDB-DZGCQCFKSA-N 3 1 265.445 2.253 20 0 CEADMP Cn1cc([C@H]([NH2+]CCCc2c[nH+]cn2C)C(C)(C)C)cn1 ZINC000515178432 297566429 /nfs/dbraw/zinc/56/64/29/297566429.db2.gz QHMVHABXEDVWOJ-HNNXBMFYSA-N 2 1 289.427 2.463 20 0 CEADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000530212991 298051323 /nfs/dbraw/zinc/05/13/23/298051323.db2.gz SWDYSFODBKEZJX-ZBFHGGJFSA-N 2 1 280.387 2.054 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000530214880 298051894 /nfs/dbraw/zinc/05/18/94/298051894.db2.gz YRTGSGKEDYABFP-YSVLISHTSA-N 2 1 294.414 2.442 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000530513176 298075618 /nfs/dbraw/zinc/07/56/18/298075618.db2.gz NYSKGGKHWWTXNZ-UHFFFAOYSA-N 2 1 277.412 2.292 20 0 CEADMP CCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccn1 ZINC000530513108 298075643 /nfs/dbraw/zinc/07/56/43/298075643.db2.gz DOJSSFFKSNFMKG-AWEZNQCLSA-N 2 1 258.369 2.489 20 0 CEADMP COc1ccsc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530513145 298075652 /nfs/dbraw/zinc/07/56/52/298075652.db2.gz JVWTVRQRNJUKEZ-JTQLQIEISA-N 2 1 265.382 2.384 20 0 CEADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCOCC1 ZINC000531970053 298127514 /nfs/dbraw/zinc/12/75/14/298127514.db2.gz FHOSNSQWTMLVOO-DLBZAZTESA-N 2 1 298.471 2.018 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cscn1 ZINC000535063601 298182732 /nfs/dbraw/zinc/18/27/32/298182732.db2.gz BPSOTWWCXDPTSN-QWHCGFSZSA-N 2 1 283.441 2.031 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000535067715 298183403 /nfs/dbraw/zinc/18/34/03/298183403.db2.gz CDFQXXUCPCFIRS-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000537863274 298221296 /nfs/dbraw/zinc/22/12/96/298221296.db2.gz DRJRKJYGQNBHOR-MRXNPFEDSA-N 2 1 265.445 2.029 20 0 CEADMP COCC1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000540750804 298268035 /nfs/dbraw/zinc/26/80/35/298268035.db2.gz QLGMABOEWBIDCO-UHFFFAOYSA-N 2 1 288.435 2.462 20 0 CEADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1[nH]c2ccccc2[nH+]1 ZINC000563663853 298793682 /nfs/dbraw/zinc/79/36/82/298793682.db2.gz MEZSRFJXZDKTRL-QLHKPRNWSA-N 2 1 256.353 2.491 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000565488775 298905684 /nfs/dbraw/zinc/90/56/84/298905684.db2.gz SOLUEDAHTPJSPJ-UHFFFAOYSA-N 3 1 292.471 2.407 20 0 CEADMP CCc1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)o1 ZINC000565955166 298935365 /nfs/dbraw/zinc/93/53/65/298935365.db2.gz VNNACQNPOIUTAI-CQSZACIVSA-N 2 1 263.385 2.201 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc(F)cc1F)[C@H]1CCC[NH2+]1 ZINC000566791098 299021444 /nfs/dbraw/zinc/02/14/44/299021444.db2.gz PUDFYXUQIOBBNW-QMTHXVAHSA-N 2 1 254.324 2.237 20 0 CEADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@@H]1CCCOC1 ZINC000352526753 303377285 /nfs/dbraw/zinc/37/72/85/303377285.db2.gz RJPWADHFLXNZFW-HNNXBMFYSA-N 2 1 254.418 2.254 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000519578762 313117334 /nfs/dbraw/zinc/11/73/34/313117334.db2.gz GHZHUEIEJKFIQF-KBUPBQIOSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1cccc2c1cc[nH+]c2NC[C@@H]1C[NH2+]CCCO1 ZINC000569576574 314001420 /nfs/dbraw/zinc/00/14/20/314001420.db2.gz BGIHGEBZFCNNGY-ZDUSSCGKSA-N 2 1 271.364 2.334 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CCCC[NH+](C)C ZINC000570017207 314021603 /nfs/dbraw/zinc/02/16/03/314021603.db2.gz FWHQYHPJSSRBQY-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000570938930 314064388 /nfs/dbraw/zinc/06/43/88/314064388.db2.gz CHVUXVDHRKSUNW-LBPRGKRZSA-N 2 1 276.409 2.217 20 0 CEADMP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1c(C)noc1C ZINC000573426559 314156789 /nfs/dbraw/zinc/15/67/89/314156789.db2.gz SSPCFJLACXYKBO-QWHCGFSZSA-N 2 1 251.374 2.474 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CCN1C ZINC000576166469 314249322 /nfs/dbraw/zinc/24/93/22/314249322.db2.gz QBFFQYLQBYFVIM-KBXCAEBGSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@H](N(C)Cc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1C ZINC000576166469 314249324 /nfs/dbraw/zinc/24/93/24/314249324.db2.gz QBFFQYLQBYFVIM-KBXCAEBGSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@H](N(C)Cc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1C ZINC000576166469 314249326 /nfs/dbraw/zinc/24/93/26/314249326.db2.gz QBFFQYLQBYFVIM-KBXCAEBGSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1C ZINC000576166469 314249327 /nfs/dbraw/zinc/24/93/27/314249327.db2.gz QBFFQYLQBYFVIM-KBXCAEBGSA-N 3 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1C ZINC000576166469 314249329 /nfs/dbraw/zinc/24/93/29/314249329.db2.gz QBFFQYLQBYFVIM-KBXCAEBGSA-N 3 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC[NH+]1C ZINC000576166469 314249331 /nfs/dbraw/zinc/24/93/31/314249331.db2.gz QBFFQYLQBYFVIM-KBXCAEBGSA-N 3 1 287.451 2.247 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC[NH+]1C ZINC000576166469 314249333 /nfs/dbraw/zinc/24/93/33/314249333.db2.gz QBFFQYLQBYFVIM-KBXCAEBGSA-N 3 1 287.451 2.247 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000577482121 314381657 /nfs/dbraw/zinc/38/16/57/314381657.db2.gz TYJJRKDHGVROIC-GOEBONIOSA-N 2 1 299.422 2.183 20 0 CEADMP CCc1cccc(C[NH+]2CCC([NH2+]CCOC)CC2)c1 ZINC000578136845 314449423 /nfs/dbraw/zinc/44/94/23/314449423.db2.gz GVFDSLOHGVVPON-UHFFFAOYSA-N 2 1 276.424 2.449 20 0 CEADMP C[C@@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1c[nH+]ccc1N ZINC000580541156 322324930 /nfs/dbraw/zinc/32/49/30/322324930.db2.gz DNSFPCBPQXDFAR-OLZOCXBDSA-N 2 1 274.412 2.162 20 0 CEADMP CC(C)(C)[NH2+]CCN1CCC[N@H+](C(C)(C)C)CC1 ZINC000581059571 322366040 /nfs/dbraw/zinc/36/60/40/322366040.db2.gz MHTJNDUYVVFSJA-UHFFFAOYSA-N 2 1 255.450 2.181 20 0 CEADMP [NH3+]C[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CCCO1 ZINC000581778061 322423610 /nfs/dbraw/zinc/42/36/10/322423610.db2.gz KWJWSCPYQRWUMA-LBPRGKRZSA-N 2 1 291.782 2.442 20 0 CEADMP CO[C@]1(C)C[C@@H]([NH2+]CCCc2c[nH+]cn2C)C1(C)C ZINC000583638998 322558660 /nfs/dbraw/zinc/55/86/60/322558660.db2.gz QQFNYTSQNIEOJA-UKRRQHHQSA-N 2 1 265.401 2.146 20 0 CEADMP FC(F)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000584040757 326904849 /nfs/dbraw/zinc/90/48/49/326904849.db2.gz GUWINFOWJMXYDP-CYBMUJFWSA-N 2 1 270.323 2.092 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)cn1 ZINC000414155049 533794429 /nfs/dbraw/zinc/79/44/29/533794429.db2.gz UWMKEBKYQXGQOS-AWEZNQCLSA-N 2 1 291.439 2.485 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000414941739 534100009 /nfs/dbraw/zinc/10/00/09/534100009.db2.gz YVGZLTBGBRHJQA-GDBMZVCRSA-N 2 1 262.397 2.433 20 0 CEADMP CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[NH+](C)C ZINC000155717407 519788923 /nfs/dbraw/zinc/78/89/23/519788923.db2.gz BWPVZFZVLVIOQJ-PMPSAXMXSA-N 2 1 295.471 2.046 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H](CO)c1ccccc1 ZINC000182510405 520625195 /nfs/dbraw/zinc/62/51/95/520625195.db2.gz WLZHAKDUXFHONW-OAHLLOKOSA-N 2 1 250.386 2.042 20 0 CEADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2nccnc12 ZINC000291471092 521013812 /nfs/dbraw/zinc/01/38/12/521013812.db2.gz DVWHRAZSUZAFCS-UHFFFAOYSA-N 2 1 287.411 2.266 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2nccnc12 ZINC000291471092 521013821 /nfs/dbraw/zinc/01/38/21/521013821.db2.gz DVWHRAZSUZAFCS-UHFFFAOYSA-N 2 1 287.411 2.266 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC000358003118 521707849 /nfs/dbraw/zinc/70/78/49/521707849.db2.gz IJLJLDGYUCBLMY-WCVJEAGWSA-N 2 1 268.445 2.369 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3c[nH]c4nccnc34)C2)CC1 ZINC000365671158 523787177 /nfs/dbraw/zinc/78/71/77/523787177.db2.gz YVXSOUFAWNMFQM-UHFFFAOYSA-N 2 1 299.422 2.217 20 0 CEADMP COc1ccncc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000340402419 524860022 /nfs/dbraw/zinc/86/00/22/524860022.db2.gz GABVZQVMVXQHAL-RBSFLKMASA-N 2 1 275.396 2.053 20 0 CEADMP COc1ccncc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000340402419 524860033 /nfs/dbraw/zinc/86/00/33/524860033.db2.gz GABVZQVMVXQHAL-RBSFLKMASA-N 2 1 275.396 2.053 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CCCc2sccc21)C[NH+]1CCCC1 ZINC000061362272 526279958 /nfs/dbraw/zinc/27/99/58/526279958.db2.gz UEHIGXFKZHUPLB-TZMCWYRMSA-N 2 1 280.437 2.172 20 0 CEADMP [NH3+]CCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000054186759 527180262 /nfs/dbraw/zinc/18/02/62/527180262.db2.gz SPYRVEIVTFMWKR-UHFFFAOYSA-N 2 1 287.329 2.176 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NC2CC2)cc1 ZINC000183146204 527378615 /nfs/dbraw/zinc/37/86/15/527378615.db2.gz DWJOHZFZIRWONE-GFCCVEGCSA-N 2 1 298.390 2.110 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000183285933 527404790 /nfs/dbraw/zinc/40/47/90/527404790.db2.gz AUSKAFMZFQIVGB-HNNXBMFYSA-N 2 1 287.411 2.446 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000371204171 527412699 /nfs/dbraw/zinc/41/26/99/527412699.db2.gz FWOXQHMLYUFBIW-HNNXBMFYSA-N 2 1 287.411 2.195 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000371204171 527412705 /nfs/dbraw/zinc/41/27/05/527412705.db2.gz FWOXQHMLYUFBIW-HNNXBMFYSA-N 2 1 287.411 2.195 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357419350 528055928 /nfs/dbraw/zinc/05/59/28/528055928.db2.gz RBUOGQAMOFAVNY-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCC(CC)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000359976789 528754452 /nfs/dbraw/zinc/75/44/52/528754452.db2.gz VJIGMTVKZZGGCL-INIZCTEOSA-N 2 1 267.461 2.134 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000262698534 535524463 /nfs/dbraw/zinc/52/44/63/535524463.db2.gz GFBYPWSNDREEFO-XJKSGUPXSA-N 2 1 292.427 2.127 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3N)CC[C@H]21 ZINC000227327508 538784901 /nfs/dbraw/zinc/78/49/01/538784901.db2.gz CPMMVTKTMHBLCR-IUODEOHRSA-N 2 1 277.387 2.324 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3N)CC[C@H]21 ZINC000227327508 538784906 /nfs/dbraw/zinc/78/49/06/538784906.db2.gz CPMMVTKTMHBLCR-IUODEOHRSA-N 2 1 277.387 2.324 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3N)CC[C@H]21 ZINC000227327508 538784910 /nfs/dbraw/zinc/78/49/10/538784910.db2.gz CPMMVTKTMHBLCR-IUODEOHRSA-N 2 1 277.387 2.324 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3N)CC[C@H]21 ZINC000227327508 538784916 /nfs/dbraw/zinc/78/49/16/538784916.db2.gz CPMMVTKTMHBLCR-IUODEOHRSA-N 2 1 277.387 2.324 20 0 CEADMP CCCC[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000726700700 574429313 /nfs/dbraw/zinc/42/93/13/574429313.db2.gz IZNOGYUFUSEBTN-UHFFFAOYSA-N 2 1 262.397 2.409 20 0 CEADMP Cc1cnc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cn1 ZINC000728572237 574467456 /nfs/dbraw/zinc/46/74/56/574467456.db2.gz UWBFPEVGEWZTNH-UHFFFAOYSA-N 2 1 276.428 2.337 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCCC[NH+](C)C)C1 ZINC000729520752 574489094 /nfs/dbraw/zinc/48/90/94/574489094.db2.gz RGPXEHKRGFENIM-MRXNPFEDSA-N 2 1 297.487 2.347 20 0 CEADMP CC[N@@H+](CCNC(=O)CCCC[NH+]1CCCC1)C(C)C ZINC000729921706 574495377 /nfs/dbraw/zinc/49/53/77/574495377.db2.gz WOQMSSPDBZJXNV-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000684378489 574658304 /nfs/dbraw/zinc/65/83/04/574658304.db2.gz WJPDCAMLAKSNOM-JKSUJKDBSA-N 2 1 296.455 2.179 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000734552789 574719579 /nfs/dbraw/zinc/71/95/79/574719579.db2.gz QKAZOJFZBQOSAN-INIZCTEOSA-N 2 1 297.487 2.299 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000734552789 574719583 /nfs/dbraw/zinc/71/95/83/574719583.db2.gz QKAZOJFZBQOSAN-INIZCTEOSA-N 2 1 297.487 2.299 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000734552789 574719586 /nfs/dbraw/zinc/71/95/86/574719586.db2.gz QKAZOJFZBQOSAN-INIZCTEOSA-N 2 1 297.487 2.299 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H](O)CN1CCCC1 ZINC000734636768 574725080 /nfs/dbraw/zinc/72/50/80/574725080.db2.gz BELWQGVSCOAXKI-BPQIPLTHSA-N 2 1 288.435 2.321 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000734636768 574725085 /nfs/dbraw/zinc/72/50/85/574725085.db2.gz BELWQGVSCOAXKI-BPQIPLTHSA-N 2 1 288.435 2.321 20 0 CEADMP C[N@@H+](Cc1nccn1C(F)F)CC1CC[NH+](C)CC1 ZINC000738312643 574857972 /nfs/dbraw/zinc/85/79/72/574857972.db2.gz UPQOPKMZLPDRHK-UHFFFAOYSA-N 2 1 272.343 2.052 20 0 CEADMP C[N@H+](Cc1nccn1C(F)F)CC1CC[NH+](C)CC1 ZINC000738312643 574857975 /nfs/dbraw/zinc/85/79/75/574857975.db2.gz UPQOPKMZLPDRHK-UHFFFAOYSA-N 2 1 272.343 2.052 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000741811243 574999681 /nfs/dbraw/zinc/99/96/81/574999681.db2.gz MXKYZYCKVBHQOT-MSOLQXFVSA-N 2 1 290.451 2.396 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000741811243 574999683 /nfs/dbraw/zinc/99/96/83/574999683.db2.gz MXKYZYCKVBHQOT-MSOLQXFVSA-N 2 1 290.451 2.396 20 0 CEADMP OCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749515534 575223934 /nfs/dbraw/zinc/22/39/34/575223934.db2.gz TWEXZWQKHIBFEG-DOTOQJQBSA-N 2 1 280.456 2.488 20 0 CEADMP OCCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000749515534 575223937 /nfs/dbraw/zinc/22/39/37/575223937.db2.gz TWEXZWQKHIBFEG-DOTOQJQBSA-N 2 1 280.456 2.488 20 0 CEADMP OCCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000749515534 575223939 /nfs/dbraw/zinc/22/39/39/575223939.db2.gz TWEXZWQKHIBFEG-DOTOQJQBSA-N 2 1 280.456 2.488 20 0 CEADMP OCCCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749515538 575224168 /nfs/dbraw/zinc/22/41/68/575224168.db2.gz TWEXZWQKHIBFEG-RDJZCZTQSA-N 2 1 280.456 2.488 20 0 CEADMP OCCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000749515538 575224170 /nfs/dbraw/zinc/22/41/70/575224170.db2.gz TWEXZWQKHIBFEG-RDJZCZTQSA-N 2 1 280.456 2.488 20 0 CEADMP OCCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000749515538 575224171 /nfs/dbraw/zinc/22/41/71/575224171.db2.gz TWEXZWQKHIBFEG-RDJZCZTQSA-N 2 1 280.456 2.488 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000753003105 575317597 /nfs/dbraw/zinc/31/75/97/575317597.db2.gz BYMWYOPYTQMIMA-UHFFFAOYSA-N 2 1 287.367 2.071 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)cn1 ZINC000753627502 575333000 /nfs/dbraw/zinc/33/30/00/575333000.db2.gz YWRZYISIFURQDB-IUODEOHRSA-N 2 1 286.379 2.233 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)cn1 ZINC000753627507 575333006 /nfs/dbraw/zinc/33/30/06/575333006.db2.gz YWRZYISIFURQDB-SWLSCSKDSA-N 2 1 286.379 2.233 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948243669 614090557 /nfs/dbraw/zinc/09/05/57/614090557.db2.gz BXHIHKUSAUUDGU-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000948243669 614090559 /nfs/dbraw/zinc/09/05/59/614090559.db2.gz BXHIHKUSAUUDGU-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000948243669 614090560 /nfs/dbraw/zinc/09/05/60/614090560.db2.gz BXHIHKUSAUUDGU-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970529142 614318511 /nfs/dbraw/zinc/31/85/11/614318511.db2.gz MTNLIXPEPVXJOB-ZBFHGGJFSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033805 614384810 /nfs/dbraw/zinc/38/48/10/614384810.db2.gz VPTZEKALRREFAG-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033805 614384813 /nfs/dbraw/zinc/38/48/13/614384813.db2.gz VPTZEKALRREFAG-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033805 614384815 /nfs/dbraw/zinc/38/48/15/614384815.db2.gz VPTZEKALRREFAG-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033804 614384959 /nfs/dbraw/zinc/38/49/59/614384959.db2.gz VPTZEKALRREFAG-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033804 614384961 /nfs/dbraw/zinc/38/49/61/614384961.db2.gz VPTZEKALRREFAG-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033804 614384963 /nfs/dbraw/zinc/38/49/63/614384963.db2.gz VPTZEKALRREFAG-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1C[NH+](C(C)C)C1 ZINC000950708121 614619796 /nfs/dbraw/zinc/61/97/96/614619796.db2.gz MGKQPZZOAWKHOK-INIZCTEOSA-N 2 1 295.471 2.048 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1C[NH+](C(C)C)C1 ZINC000950708121 614619797 /nfs/dbraw/zinc/61/97/97/614619797.db2.gz MGKQPZZOAWKHOK-INIZCTEOSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+](CC(C)C)C1 ZINC000950469670 614658829 /nfs/dbraw/zinc/65/88/29/614658829.db2.gz NZYZWFMJDPPJBD-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+](CC(C)C)C1 ZINC000950469670 614658833 /nfs/dbraw/zinc/65/88/33/614658833.db2.gz NZYZWFMJDPPJBD-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000960716841 614856798 /nfs/dbraw/zinc/85/67/98/614856798.db2.gz HPXCLTSMCSYZKQ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000960716841 614856799 /nfs/dbraw/zinc/85/67/99/614856799.db2.gz HPXCLTSMCSYZKQ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC000960716841 614856803 /nfs/dbraw/zinc/85/68/03/614856803.db2.gz HPXCLTSMCSYZKQ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000948245255 614989896 /nfs/dbraw/zinc/98/98/96/614989896.db2.gz NZCJUHJVUZACHQ-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000948245255 614989899 /nfs/dbraw/zinc/98/98/99/614989899.db2.gz NZCJUHJVUZACHQ-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000963903067 615076012 /nfs/dbraw/zinc/07/60/12/615076012.db2.gz XDBQPBCLMARFSF-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC)CC1(C)C ZINC000941238659 615286692 /nfs/dbraw/zinc/28/66/92/615286692.db2.gz ZKNIUMWPCHUFRC-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941238659 615286694 /nfs/dbraw/zinc/28/66/94/615286694.db2.gz ZKNIUMWPCHUFRC-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941238659 615286695 /nfs/dbraw/zinc/28/66/95/615286695.db2.gz ZKNIUMWPCHUFRC-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[C@@H](CN(C)C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000120325632 622648629 /nfs/dbraw/zinc/64/86/29/622648629.db2.gz MIVLYDBSTHEQBZ-KRWDZBQOSA-N 2 1 281.488 2.427 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000890878959 623034458 /nfs/dbraw/zinc/03/44/58/623034458.db2.gz RUMZWMBLLDQLLX-OAHLLOKOSA-N 2 1 297.487 2.155 20 0 CEADMP CC(C)(C)C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000307840152 623487502 /nfs/dbraw/zinc/48/75/02/623487502.db2.gz BEYQKXAYLMTOKQ-GJZGRUSLSA-N 2 1 268.445 2.201 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@@H](O)CC(F)(F)F ZINC000307945373 623510586 /nfs/dbraw/zinc/51/05/86/623510586.db2.gz YSWGBXSAHWHSQD-ZDUSSCGKSA-N 2 1 290.329 2.151 20 0 CEADMP CCC(C)(C)OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000308754080 623715654 /nfs/dbraw/zinc/71/56/54/623715654.db2.gz VOGTXHWPEILCJP-AGUYFDCRSA-N 2 1 254.418 2.406 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1(C[NH3+])CCCCC1 ZINC000891902563 624084586 /nfs/dbraw/zinc/08/45/86/624084586.db2.gz VEXPIBBNVWEJIZ-AWEZNQCLSA-N 2 1 298.475 2.068 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1(C[NH3+])CCCCC1 ZINC000891909829 624091102 /nfs/dbraw/zinc/09/11/02/624091102.db2.gz MNIQDPVJZCELCP-AWEZNQCLSA-N 2 1 298.475 2.068 20 0 CEADMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC000933944036 624121160 /nfs/dbraw/zinc/12/11/60/624121160.db2.gz KFMIVWUQNDFLNY-MRXNPFEDSA-N 2 1 297.487 2.484 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000892034265 624264711 /nfs/dbraw/zinc/26/47/11/624264711.db2.gz KPULRTHEZGYKKK-AWEZNQCLSA-N 2 1 262.397 2.387 20 0 CEADMP C[C@@H]1Cc2cc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)ccc2O1 ZINC000892034260 624264849 /nfs/dbraw/zinc/26/48/49/624264849.db2.gz KKEQPUVMZYSIDV-UKRRQHHQSA-N 2 1 274.408 2.394 20 0 CEADMP C[C@@H]1Cc2cc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)ccc2O1 ZINC000892034260 624264854 /nfs/dbraw/zinc/26/48/54/624264854.db2.gz KKEQPUVMZYSIDV-UKRRQHHQSA-N 2 1 274.408 2.394 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(N[C@@H](C)CC[NH+](C)C)c12 ZINC000892086122 624304408 /nfs/dbraw/zinc/30/44/08/624304408.db2.gz SQIXURSQPNRATK-JTQLQIEISA-N 2 1 261.373 2.272 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cnn(CC3CCC3)c2)C1 ZINC000892142457 624350277 /nfs/dbraw/zinc/35/02/77/624350277.db2.gz FWNBNRAGRCRJNC-INIZCTEOSA-N 2 1 290.455 2.457 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934330981 624421606 /nfs/dbraw/zinc/42/16/06/624421606.db2.gz UOTUTTQNDYKURS-ZDUSSCGKSA-N 2 1 276.409 2.213 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934330981 624421607 /nfs/dbraw/zinc/42/16/07/624421607.db2.gz UOTUTTQNDYKURS-ZDUSSCGKSA-N 2 1 276.409 2.213 20 0 CEADMP CSC1(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000235104360 624609429 /nfs/dbraw/zinc/60/94/29/624609429.db2.gz FXEOQJWFFBAGHZ-ZIAGYGMSSA-N 2 1 286.485 2.409 20 0 CEADMP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001022806203 624626588 /nfs/dbraw/zinc/62/65/88/624626588.db2.gz ATRAPAOZEPDVIV-XHSDSOJGSA-N 2 1 295.471 2.142 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)CC[N@H+]1C ZINC000252777065 625113243 /nfs/dbraw/zinc/11/32/43/625113243.db2.gz KQVAHEBJZALPLB-MPTQWLOMSA-N 2 1 259.397 2.204 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC[N@H+]1C ZINC000252777064 625113432 /nfs/dbraw/zinc/11/34/32/625113432.db2.gz KQVAHEBJZALPLB-BHTHQVBYSA-N 2 1 259.397 2.204 20 0 CEADMP CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024620571 625723277 /nfs/dbraw/zinc/72/32/77/625723277.db2.gz YFVFOTJQJBGUQB-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001024620571 625723288 /nfs/dbraw/zinc/72/32/88/625723288.db2.gz YFVFOTJQJBGUQB-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001024620571 625723296 /nfs/dbraw/zinc/72/32/96/625723296.db2.gz YFVFOTJQJBGUQB-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024814457 625831228 /nfs/dbraw/zinc/83/12/28/625831228.db2.gz SZQLENQATGVQKU-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001024814457 625831231 /nfs/dbraw/zinc/83/12/31/625831231.db2.gz SZQLENQATGVQKU-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001024814457 625831233 /nfs/dbraw/zinc/83/12/33/625831233.db2.gz SZQLENQATGVQKU-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CNc1ccccc1CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000902067621 634461967 /nfs/dbraw/zinc/46/19/67/634461967.db2.gz ZHHWNQBCILAQAZ-CVEARBPZSA-N 2 1 259.397 2.445 20 0 CEADMP C(C[C@H]1CCCO1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820806830 634534006 /nfs/dbraw/zinc/53/40/06/634534006.db2.gz SAZPRLKEPGROOI-YPAMNDHTSA-N 2 1 264.413 2.303 20 0 CEADMP c1[nH]nc2c1C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CC2 ZINC000820825087 634542424 /nfs/dbraw/zinc/54/24/24/634542424.db2.gz XNXICJYYRFAJFN-WYQXTGKHSA-N 2 1 286.423 2.014 20 0 CEADMP CC(=O)OC[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000892584397 627290708 /nfs/dbraw/zinc/29/07/08/627290708.db2.gz KAGSNEYQVBTHBL-KBPBESRZSA-N 2 1 270.417 2.040 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000892584488 627290768 /nfs/dbraw/zinc/29/07/68/627290768.db2.gz KWAJXNPRXYTCOB-CABCVRRESA-N 2 1 284.444 2.240 20 0 CEADMP COC(=O)c1sccc1C[NH2+]CCCn1cc[nH+]c1C ZINC000892624424 627320741 /nfs/dbraw/zinc/32/07/41/627320741.db2.gz SMZCRJSFRMLXSV-UHFFFAOYSA-N 2 1 293.392 2.220 20 0 CEADMP CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001025105291 627334924 /nfs/dbraw/zinc/33/49/24/627334924.db2.gz SHJLYJJAAZDMSP-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1ccc(C)c(OCCC[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000311160947 627385403 /nfs/dbraw/zinc/38/54/03/627385403.db2.gz PNUVJDXKWYWFGP-AWEZNQCLSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1ccc(C)c(OCCC[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000311160947 627385406 /nfs/dbraw/zinc/38/54/06/627385406.db2.gz PNUVJDXKWYWFGP-AWEZNQCLSA-N 2 1 250.386 2.351 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346414 634586251 /nfs/dbraw/zinc/58/62/51/634586251.db2.gz LPSAPCSHCUQQKN-HUUCEWRRSA-N 2 1 267.461 2.229 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346414 634586255 /nfs/dbraw/zinc/58/62/55/634586255.db2.gz LPSAPCSHCUQQKN-HUUCEWRRSA-N 2 1 267.461 2.229 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000902335969 634597712 /nfs/dbraw/zinc/59/77/12/634597712.db2.gz XKZUSOMIXKHYMD-OAHLLOKOSA-N 3 1 267.461 2.230 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000902375690 634605937 /nfs/dbraw/zinc/60/59/37/634605937.db2.gz JSDBOGUPFWIUAL-ZBFHGGJFSA-N 2 1 279.472 2.371 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000902375690 634605939 /nfs/dbraw/zinc/60/59/39/634605939.db2.gz JSDBOGUPFWIUAL-ZBFHGGJFSA-N 2 1 279.472 2.371 20 0 CEADMP COc1nccc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)c1F ZINC000892945241 627875128 /nfs/dbraw/zinc/87/51/28/627875128.db2.gz ZMBKVOYDEOTPIG-ZDUSSCGKSA-N 2 1 295.402 2.439 20 0 CEADMP C(CN1CC[NH+](C2CCC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000328366157 627879188 /nfs/dbraw/zinc/87/91/88/627879188.db2.gz CKOBQDATCYCUNK-MQVJKMGUSA-N 2 1 277.456 2.077 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000892947431 627880345 /nfs/dbraw/zinc/88/03/45/627880345.db2.gz CHGOHPXNAFUHEY-MRXNPFEDSA-N 3 1 267.461 2.182 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000892947431 627880349 /nfs/dbraw/zinc/88/03/49/627880349.db2.gz CHGOHPXNAFUHEY-MRXNPFEDSA-N 3 1 267.461 2.182 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007746927 627952493 /nfs/dbraw/zinc/95/24/93/627952493.db2.gz OQVXQAHWPOOTCZ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007746927 627952496 /nfs/dbraw/zinc/95/24/96/627952496.db2.gz OQVXQAHWPOOTCZ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007746927 627952499 /nfs/dbraw/zinc/95/24/99/627952499.db2.gz OQVXQAHWPOOTCZ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCn1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)n1 ZINC000893084882 627990557 /nfs/dbraw/zinc/99/05/57/627990557.db2.gz APJFMTJVRRCZJE-MQVJKMGUSA-N 2 1 276.428 2.316 20 0 CEADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902406550 634620674 /nfs/dbraw/zinc/62/06/74/634620674.db2.gz NVNGZXVOBCIDOM-KRWDZBQOSA-N 2 1 297.402 2.455 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC[N@H+]1C ZINC000925513967 628049655 /nfs/dbraw/zinc/04/96/55/628049655.db2.gz CJFNTMVISFLQQK-MXASKKJJSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCN1C ZINC000925513967 628049660 /nfs/dbraw/zinc/04/96/60/628049660.db2.gz CJFNTMVISFLQQK-MXASKKJJSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC[N@@H+]1C ZINC000925513967 628049662 /nfs/dbraw/zinc/04/96/62/628049662.db2.gz CJFNTMVISFLQQK-MXASKKJJSA-N 3 1 279.472 2.227 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC[N@H+]1C ZINC000925513967 628049663 /nfs/dbraw/zinc/04/96/63/628049663.db2.gz CJFNTMVISFLQQK-MXASKKJJSA-N 3 1 279.472 2.227 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902386059 634629167 /nfs/dbraw/zinc/62/91/67/634629167.db2.gz BBXZRUAAPANDGJ-LSDHHAIUSA-N 2 1 269.477 2.475 20 0 CEADMP Cc1cc(N)nc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000893194500 628116885 /nfs/dbraw/zinc/11/68/85/628116885.db2.gz HEHBWLVEIWUTCA-SWLSCSKDSA-N 2 1 297.406 2.300 20 0 CEADMP Cc1cc(N)nc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000893194500 628116889 /nfs/dbraw/zinc/11/68/89/628116889.db2.gz HEHBWLVEIWUTCA-SWLSCSKDSA-N 2 1 297.406 2.300 20 0 CEADMP C1CCC([C@@H]2C[NH2+]CC[C@@H]2N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000925559811 628226652 /nfs/dbraw/zinc/22/66/52/628226652.db2.gz CSAFDCVOTQOQCP-MHORFTMASA-N 2 1 291.483 2.371 20 0 CEADMP C1CCC([C@@H]2C[NH2+]CC[C@@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000925559811 628226654 /nfs/dbraw/zinc/22/66/54/628226654.db2.gz CSAFDCVOTQOQCP-MHORFTMASA-N 3 1 291.483 2.371 20 0 CEADMP C1CCC([C@@H]2C[NH2+]CC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000925559811 628226655 /nfs/dbraw/zinc/22/66/55/628226655.db2.gz CSAFDCVOTQOQCP-MHORFTMASA-N 3 1 291.483 2.371 20 0 CEADMP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925576670 628253828 /nfs/dbraw/zinc/25/38/28/628253828.db2.gz YGQHEUIDAOQFPN-XXBHRLPUSA-N 2 1 268.404 2.204 20 0 CEADMP CCCSC[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000893318091 628306119 /nfs/dbraw/zinc/30/61/19/628306119.db2.gz KOJWKUJQRFVQQU-HNNXBMFYSA-N 2 1 287.517 2.135 20 0 CEADMP NOCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000902426930 634648099 /nfs/dbraw/zinc/64/80/99/634648099.db2.gz ZGIJIJXHWQBHTA-BJWYYQGGSA-N 2 1 289.423 2.052 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)ncn1 ZINC000925626640 628320214 /nfs/dbraw/zinc/32/02/14/628320214.db2.gz RYAJSWGJOBMCNB-JKSUJKDBSA-N 2 1 274.412 2.043 20 0 CEADMP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925628402 628323341 /nfs/dbraw/zinc/32/33/41/628323341.db2.gz FFRCYAPKPVHSRJ-QLFBSQMISA-N 2 1 292.423 2.440 20 0 CEADMP COc1cccc2[nH]cc(CC[NH2+][C@H]3CC[NH2+]C3(C)C)c21 ZINC000925631010 628325777 /nfs/dbraw/zinc/32/57/77/628325777.db2.gz WMPUSHPOYNZYRT-HNNXBMFYSA-N 2 1 287.407 2.449 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cnn(CC3CCC3)c2)C12CCC2 ZINC000902428843 634650053 /nfs/dbraw/zinc/65/00/53/634650053.db2.gz BDHNWFJSFZOHHV-HUUCEWRRSA-N 2 1 274.412 2.043 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)C1CCOCC1 ZINC000902428858 634650107 /nfs/dbraw/zinc/65/01/07/634650107.db2.gz BKRXEKXEPRNMQW-TZMCWYRMSA-N 2 1 254.418 2.027 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CCC(C)(C)CO1 ZINC000902428716 634650326 /nfs/dbraw/zinc/65/03/26/634650326.db2.gz HAAPOFSUMMOTBK-MELADBBJSA-N 2 1 254.418 2.312 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000925674456 628456930 /nfs/dbraw/zinc/45/69/30/628456930.db2.gz AAVNJCAGEXZUDE-NSHDSACASA-N 2 1 287.329 2.373 20 0 CEADMP C[NH+]1C[C@@]2(C)C[NH+](CC[C@@H](O)c3ccccc3)C[C@]2(C)C1 ZINC000931314010 628514840 /nfs/dbraw/zinc/51/48/40/628514840.db2.gz IEWXNEFSXXKQQS-SQNIBIBYSA-N 2 1 288.435 2.384 20 0 CEADMP C[N@H+]1C[C@@]2(C)CN(C[C@H]3CC4(CCC4)CO3)C[C@@]2(C)C1 ZINC000931316016 628516508 /nfs/dbraw/zinc/51/65/08/628516508.db2.gz FUZDPSZRLPGVQE-OAGGEKHMSA-N 2 1 278.440 2.219 20 0 CEADMP C[NH+]1C[C@]2(C)C[NH+](C[C@H]3CC(C)(C)CO3)C[C@@]2(C)C1 ZINC000931318536 628519866 /nfs/dbraw/zinc/51/98/66/628519866.db2.gz UXPHAQAGLDFDCA-FVQBIDKESA-N 2 1 266.429 2.075 20 0 CEADMP C[NH+](C)C1(C)CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000931355660 628539549 /nfs/dbraw/zinc/53/95/49/628539549.db2.gz UQKHLVNGNKOAKS-SOUVJXGZSA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]([NH3+])[C@@H](NCCC1CC[NH2+]CC1)c1ccccc1 ZINC000925702660 628543092 /nfs/dbraw/zinc/54/30/92/628543092.db2.gz QMECUYCPRRBFQJ-CZUORRHYSA-N 2 1 261.413 2.054 20 0 CEADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1 ZINC000925702660 628543096 /nfs/dbraw/zinc/54/30/96/628543096.db2.gz QMECUYCPRRBFQJ-CZUORRHYSA-N 3 1 261.413 2.054 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925704259 628547968 /nfs/dbraw/zinc/54/79/68/628547968.db2.gz DJJLMDWSOXXULI-GJZGRUSLSA-N 2 1 274.412 2.047 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925708253 628555829 /nfs/dbraw/zinc/55/58/29/628555829.db2.gz RGIKNLRITYOOBL-ULQDDVLXSA-N 2 1 279.472 2.229 20 0 CEADMP CCCN1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925708253 628555834 /nfs/dbraw/zinc/55/58/34/628555834.db2.gz RGIKNLRITYOOBL-ULQDDVLXSA-N 2 1 279.472 2.229 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008754293 628566419 /nfs/dbraw/zinc/56/64/19/628566419.db2.gz MUAKMIZRPAFYKI-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008754293 628566421 /nfs/dbraw/zinc/56/64/21/628566421.db2.gz MUAKMIZRPAFYKI-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008754293 628566422 /nfs/dbraw/zinc/56/64/22/628566422.db2.gz MUAKMIZRPAFYKI-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925714066 628568233 /nfs/dbraw/zinc/56/82/33/628568233.db2.gz NMPCNMUNOCMEOJ-AEGPPILISA-N 2 1 288.391 2.378 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C12CCCC2 ZINC000902473905 634665763 /nfs/dbraw/zinc/66/57/63/634665763.db2.gz AMUDCFRAOBRCLS-KHMAMNHCSA-N 2 1 264.413 2.207 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)C12CCC2 ZINC000925723512 628608339 /nfs/dbraw/zinc/60/83/39/628608339.db2.gz WZIWFSALLAQSRA-NWDGAFQWSA-N 2 1 252.308 2.324 20 0 CEADMP OC[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000925731592 628681090 /nfs/dbraw/zinc/68/10/90/628681090.db2.gz UNSGRKHAPWCQIP-HIFRSBDPSA-N 2 1 294.826 2.290 20 0 CEADMP CC(C)([NH3+])CC[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000925739349 628700965 /nfs/dbraw/zinc/70/09/65/628700965.db2.gz WFKHJCAYCJWBBG-HNNXBMFYSA-N 2 1 270.380 2.283 20 0 CEADMP CC1(C)[C@H](NCC[N@H+]2CCC(C)(C)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902456243 634677390 /nfs/dbraw/zinc/67/73/90/634677390.db2.gz NXOISHBDRDBIFF-QLFBSQMISA-N 2 1 279.472 2.085 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)CCCO2)CC(C)(C)C[NH3+] ZINC000258745426 628764350 /nfs/dbraw/zinc/76/43/50/628764350.db2.gz LNIHFVZEFLWOIO-UHFFFAOYSA-N 2 1 262.397 2.428 20 0 CEADMP COc1ccc(F)cc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000925775626 628795976 /nfs/dbraw/zinc/79/59/76/628795976.db2.gz RCLVUNCSCXXALB-RISCZKNCSA-N 2 1 266.360 2.107 20 0 CEADMP COC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Cl)c1 ZINC000925785943 628824493 /nfs/dbraw/zinc/82/44/93/628824493.db2.gz QOQKNHYFWIPAQR-ZLDLUXBVSA-N 2 1 282.815 2.473 20 0 CEADMP CC(C)C1CC([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000925791648 628837001 /nfs/dbraw/zinc/83/70/01/628837001.db2.gz MVWUYQJHUWUDGZ-NRXISQOPSA-N 2 1 266.429 2.169 20 0 CEADMP CC[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)C(C)C ZINC000925797714 628844381 /nfs/dbraw/zinc/84/43/81/628844381.db2.gz VDEFFSUBSYPFFU-KGLIPLIRSA-N 2 1 254.418 2.169 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000236823055 628848026 /nfs/dbraw/zinc/84/80/26/628848026.db2.gz WPEJZPOYIXNFOC-INIZCTEOSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)[C@H]1C[C@@H]1C ZINC000925801799 628849537 /nfs/dbraw/zinc/84/95/37/628849537.db2.gz ZCACVRXJSMRDLF-AJNGGQMLSA-N 2 1 266.429 2.169 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925835743 628933176 /nfs/dbraw/zinc/93/31/76/628933176.db2.gz UCSBQTVCMFSVDI-XQQFMLRXSA-N 2 1 293.377 2.133 20 0 CEADMP CC[C@H]([NH2+]CCCCC[NH+]1CCNCC1)C(C)C ZINC000925848992 628953595 /nfs/dbraw/zinc/95/35/95/628953595.db2.gz MOMDZLBGZJJYJM-HNNXBMFYSA-N 2 1 255.450 2.086 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000925855845 628958664 /nfs/dbraw/zinc/95/86/64/628958664.db2.gz DHTXIWFGFXRUSV-CIDNJEQPSA-N 3 1 265.445 2.124 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000925855860 628958717 /nfs/dbraw/zinc/95/87/17/628958717.db2.gz DHTXIWFGFXRUSV-YHNBSYBMSA-N 3 1 265.445 2.124 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000924875350 629151140 /nfs/dbraw/zinc/15/11/40/629151140.db2.gz YVMYTTMDRLUOGR-GJZGRUSLSA-N 2 1 265.401 2.112 20 0 CEADMP Cc1noc2ncc(C[NH2+]CC(C)(C)C[NH+](C)C)cc12 ZINC000894150175 629172424 /nfs/dbraw/zinc/17/24/24/629172424.db2.gz VMNJTNOHVWMLDX-UHFFFAOYSA-N 2 1 276.384 2.209 20 0 CEADMP Cc1noc2ncc(C[NH2+]CCC[NH+]3CCCCC3)cc12 ZINC000894153230 629173178 /nfs/dbraw/zinc/17/31/78/629173178.db2.gz HDESYUHILSRDKZ-UHFFFAOYSA-N 2 1 288.395 2.497 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC000894241607 629248140 /nfs/dbraw/zinc/24/81/40/629248140.db2.gz XTZSTQLSKAKTGS-OAHLLOKOSA-N 2 1 259.397 2.213 20 0 CEADMP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1F ZINC000261829420 629261158 /nfs/dbraw/zinc/26/11/58/629261158.db2.gz IXAVPJQMGMVJQA-CYBMUJFWSA-N 2 1 266.360 2.395 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1F ZINC000261829420 629261163 /nfs/dbraw/zinc/26/11/63/629261163.db2.gz IXAVPJQMGMVJQA-CYBMUJFWSA-N 2 1 266.360 2.395 20 0 CEADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000924958683 629296860 /nfs/dbraw/zinc/29/68/60/629296860.db2.gz GGNYJPYVWJSFPU-KFWWJZLASA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC23CCOCC3)C1 ZINC000924959317 629297331 /nfs/dbraw/zinc/29/73/31/629297331.db2.gz JZOUIAWQWAAHMN-JKSUJKDBSA-N 2 1 296.455 2.035 20 0 CEADMP Cc1noc(C)c1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000925022245 629368056 /nfs/dbraw/zinc/36/80/56/629368056.db2.gz FCMUCJQTCVSCCQ-IUODEOHRSA-N 2 1 295.427 2.179 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000894445489 629465742 /nfs/dbraw/zinc/46/57/42/629465742.db2.gz PCIUWQMDYCOZFY-AWEZNQCLSA-N 2 1 276.428 2.326 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC3(C2)Oc2ccccc2O3)CC1 ZINC000894525410 629511588 /nfs/dbraw/zinc/51/15/88/629511588.db2.gz BKCFZQFXNOTQPM-UHFFFAOYSA-N 2 1 288.391 2.202 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795901432 629705884 /nfs/dbraw/zinc/70/58/84/629705884.db2.gz FNKBLVVSRFFHLI-INIZCTEOSA-N 2 1 296.455 2.241 20 0 CEADMP Cc1noc2ncc(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)cc12 ZINC000894984074 629784407 /nfs/dbraw/zinc/78/44/07/629784407.db2.gz HHDBTGSVHJNVIE-ZDUSSCGKSA-N 2 1 288.395 2.353 20 0 CEADMP CC[C@@](C)(C(=O)OC)[N@@H+](CC1CC1)CC1CC[NH+](C)CC1 ZINC000895010479 629793808 /nfs/dbraw/zinc/79/38/08/629793808.db2.gz XNOKWZBBDXMZGX-KRWDZBQOSA-N 2 1 296.455 2.382 20 0 CEADMP C[C@@H](CC[NH2+]Cc1cc(F)ccc1N(C)C)[NH+](C)C ZINC000895290259 630082705 /nfs/dbraw/zinc/08/27/05/630082705.db2.gz FGDYXLCMDPIESW-LBPRGKRZSA-N 2 1 267.392 2.322 20 0 CEADMP C[C@@H](CC[NH2+]Cc1scnc1C1CC1)[NH+](C)C ZINC000895294520 630083458 /nfs/dbraw/zinc/08/34/58/630083458.db2.gz XFGAPBZSKLAMJG-JTQLQIEISA-N 2 1 253.415 2.450 20 0 CEADMP COC(=O)c1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)[nH]c1C(C)C ZINC000895290596 630083484 /nfs/dbraw/zinc/08/34/84/630083484.db2.gz NJRIMTPDQXVMSS-GFCCVEGCSA-N 2 1 295.427 2.355 20 0 CEADMP COCCOc1cccc(C[NH2+]CC[C@@H](C)[NH+](C)C)c1 ZINC000895298973 630087148 /nfs/dbraw/zinc/08/71/48/630087148.db2.gz DKWQTQDWOQEFDT-CQSZACIVSA-N 2 1 280.412 2.142 20 0 CEADMP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000797061051 630121513 /nfs/dbraw/zinc/12/15/13/630121513.db2.gz NDRKNBCGMOPCKW-NXNVCVFFSA-N 2 1 276.424 2.489 20 0 CEADMP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000797061051 630121520 /nfs/dbraw/zinc/12/15/20/630121520.db2.gz NDRKNBCGMOPCKW-NXNVCVFFSA-N 2 1 276.424 2.489 20 0 CEADMP COC(OC)[C@@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000895787207 630344877 /nfs/dbraw/zinc/34/48/77/630344877.db2.gz HIYASARVVAJCGX-CYBMUJFWSA-N 2 1 272.433 2.094 20 0 CEADMP CN(C)Cc1cnc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)s1 ZINC000895848796 630375478 /nfs/dbraw/zinc/37/54/78/630375478.db2.gz ULXVKGNLSGBSJZ-OCCSQVGLSA-N 2 1 295.452 2.206 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCCF)cc1 ZINC000895898331 630392631 /nfs/dbraw/zinc/39/26/31/630392631.db2.gz NSQQRNHMFPOYMH-UHFFFAOYSA-N 2 1 268.376 2.418 20 0 CEADMP COC(=O)C(C)(C)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000896018724 630439813 /nfs/dbraw/zinc/43/98/13/630439813.db2.gz QQISTMCKWFCMBE-UHFFFAOYSA-N 2 1 298.471 2.485 20 0 CEADMP Cc1[nH+]ccc(NC[C@@H]2CC[N@H+]2C2CCOCC2)c1Cl ZINC000896520506 630588714 /nfs/dbraw/zinc/58/87/14/630588714.db2.gz CWFVYPLVFFKXFQ-ZDUSSCGKSA-N 2 1 295.814 2.131 20 0 CEADMP CCO[C@@H](C[NH2+]CCc1ccc(F)c(F)c1)C[NH+](C)C ZINC000896879044 630698753 /nfs/dbraw/zinc/69/87/53/630698753.db2.gz YACGVZZOFNDPOB-ZDUSSCGKSA-N 2 1 286.366 2.064 20 0 CEADMP Cc1noc(CCC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000799178212 630991804 /nfs/dbraw/zinc/99/18/04/630991804.db2.gz IJMWGDLJUYGZTC-UHFFFAOYSA-N 2 1 292.427 2.118 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC3(C2)COC(C)(C)C3)CC[N@@H+]1C ZINC000925142090 631000576 /nfs/dbraw/zinc/00/05/76/631000576.db2.gz NGDDJZPAYZFZEK-NNNQGMHWSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC3(C2)COC(C)(C)C3)CC[N@H+]1C ZINC000925142090 631000578 /nfs/dbraw/zinc/00/05/78/631000578.db2.gz NGDDJZPAYZFZEK-NNNQGMHWSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCO3)CC[C@H]1[NH3+] ZINC000904300099 635554018 /nfs/dbraw/zinc/55/40/18/635554018.db2.gz WAFYLVCRFQWTBJ-SWLSCSKDSA-N 2 1 260.381 2.181 20 0 CEADMP C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]1CCCOC1 ZINC000904317579 635565184 /nfs/dbraw/zinc/56/51/84/635565184.db2.gz HSSZLKSRTVRMBQ-KGLIPLIRSA-N 2 1 256.434 2.498 20 0 CEADMP Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1)CCC2 ZINC000904320262 635566222 /nfs/dbraw/zinc/56/62/22/635566222.db2.gz FXTDUHMTEJVYLN-NTZNESFSSA-N 2 1 265.426 2.498 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(CCC(N)=O)CC1 ZINC000904322590 635569468 /nfs/dbraw/zinc/56/94/68/635569468.db2.gz DUIBTEQDRSKQQJ-CQSZACIVSA-N 2 1 283.460 2.118 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000925204020 631172892 /nfs/dbraw/zinc/17/28/92/631172892.db2.gz JFTSNADAMTYVSI-IRXDYDNUSA-N 2 1 292.471 2.453 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000925204020 631172895 /nfs/dbraw/zinc/17/28/95/631172895.db2.gz JFTSNADAMTYVSI-IRXDYDNUSA-N 2 1 292.471 2.453 20 0 CEADMP CCC[N@@H+](CC)CCN[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000925204671 631173225 /nfs/dbraw/zinc/17/32/25/631173225.db2.gz NFFOTZVQQWQNAU-JKSUJKDBSA-N 2 1 267.461 2.325 20 0 CEADMP CCC[NH+](CC)CCN[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925204671 631173227 /nfs/dbraw/zinc/17/32/27/631173227.db2.gz NFFOTZVQQWQNAU-JKSUJKDBSA-N 2 1 267.461 2.325 20 0 CEADMP CCC[NH+](CC)CCN[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925204671 631173228 /nfs/dbraw/zinc/17/32/28/631173228.db2.gz NFFOTZVQQWQNAU-JKSUJKDBSA-N 2 1 267.461 2.325 20 0 CEADMP CC(C)C(=O)CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000808733524 631307398 /nfs/dbraw/zinc/30/73/98/631307398.db2.gz UAEPFFBJANKKFM-OAHLLOKOSA-N 2 1 266.429 2.265 20 0 CEADMP CC(C)C(=O)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000808733524 631307404 /nfs/dbraw/zinc/30/74/04/631307404.db2.gz UAEPFFBJANKKFM-OAHLLOKOSA-N 2 1 266.429 2.265 20 0 CEADMP CC(C)C(=O)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000808733524 631307411 /nfs/dbraw/zinc/30/74/11/631307411.db2.gz UAEPFFBJANKKFM-OAHLLOKOSA-N 2 1 266.429 2.265 20 0 CEADMP CC(C)C(=O)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000808733524 631307419 /nfs/dbraw/zinc/30/74/19/631307419.db2.gz UAEPFFBJANKKFM-OAHLLOKOSA-N 2 1 266.429 2.265 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000897420810 631342811 /nfs/dbraw/zinc/34/28/11/631342811.db2.gz IOEYNTBWJDXFPY-CHWSQXEVSA-N 2 1 297.443 2.116 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000904421367 635632790 /nfs/dbraw/zinc/63/27/90/635632790.db2.gz ZWROIJDYHKMBNP-QWHCGFSZSA-N 2 1 294.468 2.031 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000904421367 635632796 /nfs/dbraw/zinc/63/27/96/635632796.db2.gz ZWROIJDYHKMBNP-QWHCGFSZSA-N 2 1 294.468 2.031 20 0 CEADMP c1csc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904421264 635632897 /nfs/dbraw/zinc/63/28/97/635632897.db2.gz VYKKKTUJIKVVLR-NWDGAFQWSA-N 2 1 288.420 2.180 20 0 CEADMP c1csc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904421264 635632900 /nfs/dbraw/zinc/63/29/00/635632900.db2.gz VYKKKTUJIKVVLR-NWDGAFQWSA-N 2 1 288.420 2.180 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000904448852 635641143 /nfs/dbraw/zinc/64/11/43/635641143.db2.gz DACNSCCRDWPMMX-UHFFFAOYSA-N 2 1 283.375 2.242 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897608093 631815613 /nfs/dbraw/zinc/81/56/13/631815613.db2.gz KIYFJHKFRINJJW-UONOGXRCSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000897608093 631815617 /nfs/dbraw/zinc/81/56/17/631815617.db2.gz KIYFJHKFRINJJW-UONOGXRCSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000897608093 631815621 /nfs/dbraw/zinc/81/56/21/631815621.db2.gz KIYFJHKFRINJJW-UONOGXRCSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897608093 631815625 /nfs/dbraw/zinc/81/56/25/631815625.db2.gz KIYFJHKFRINJJW-UONOGXRCSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897608093 631815630 /nfs/dbraw/zinc/81/56/30/631815630.db2.gz KIYFJHKFRINJJW-UONOGXRCSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@@H](C)C1 ZINC000841032838 631819204 /nfs/dbraw/zinc/81/92/04/631819204.db2.gz GEFFDOQXEDHUAL-WMLDXEAASA-N 2 1 275.440 2.008 20 0 CEADMP CCN1CC[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@@H](C)C1 ZINC000841032838 631819210 /nfs/dbraw/zinc/81/92/10/631819210.db2.gz GEFFDOQXEDHUAL-WMLDXEAASA-N 2 1 275.440 2.008 20 0 CEADMP CC[N@@H+]1CC[C@@H](NCc2ccc(CC[NH3+])cc2)[C@@H](C)C1 ZINC000841032838 631819213 /nfs/dbraw/zinc/81/92/13/631819213.db2.gz GEFFDOQXEDHUAL-WMLDXEAASA-N 2 1 275.440 2.008 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2ccc(CC[NH3+])cc2)[C@@H](C)C1 ZINC000841032838 631819220 /nfs/dbraw/zinc/81/92/20/631819220.db2.gz GEFFDOQXEDHUAL-WMLDXEAASA-N 2 1 275.440 2.008 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCOc4ccccc43)C[C@]2(C)C1 ZINC000897621839 631828304 /nfs/dbraw/zinc/82/83/04/631828304.db2.gz WCIOVCGZXWWRHI-RKVPGOIHSA-N 2 1 286.419 2.436 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCOc4ccccc43)C[C@]2(C)C1 ZINC000897621839 631828306 /nfs/dbraw/zinc/82/83/06/631828306.db2.gz WCIOVCGZXWWRHI-RKVPGOIHSA-N 2 1 286.419 2.436 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCOc4ccccc43)C[C@]2(C)C1 ZINC000897621839 631828309 /nfs/dbraw/zinc/82/83/09/631828309.db2.gz WCIOVCGZXWWRHI-RKVPGOIHSA-N 2 1 286.419 2.436 20 0 CEADMP CCC[C@@H](C[NH+]1CCC([NH2+]C2CCC2)CC1)OC ZINC000897982695 632004335 /nfs/dbraw/zinc/00/43/35/632004335.db2.gz PEELPSBCKZLXAN-HNNXBMFYSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)C(=O)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000808734637 632009119 /nfs/dbraw/zinc/00/91/19/632009119.db2.gz BEBVJCLBCOUATF-ZIAGYGMSSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)C(=O)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000808734637 632009125 /nfs/dbraw/zinc/00/91/25/632009125.db2.gz BEBVJCLBCOUATF-ZIAGYGMSSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)C(=O)CCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000808734637 632009127 /nfs/dbraw/zinc/00/91/27/632009127.db2.gz BEBVJCLBCOUATF-ZIAGYGMSSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000898307420 632165648 /nfs/dbraw/zinc/16/56/48/632165648.db2.gz WZTIBQRCHXTDRI-UHFFFAOYSA-N 2 1 290.411 2.288 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000898307420 632165650 /nfs/dbraw/zinc/16/56/50/632165650.db2.gz WZTIBQRCHXTDRI-UHFFFAOYSA-N 2 1 290.411 2.288 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000810125031 632183397 /nfs/dbraw/zinc/18/33/97/632183397.db2.gz MNDNLRHUYZYKBY-QXSJWSMHSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000810125031 632183400 /nfs/dbraw/zinc/18/34/00/632183400.db2.gz MNDNLRHUYZYKBY-QXSJWSMHSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000810125031 632183402 /nfs/dbraw/zinc/18/34/02/632183402.db2.gz MNDNLRHUYZYKBY-QXSJWSMHSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[N@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000989737057 632234584 /nfs/dbraw/zinc/23/45/84/632234584.db2.gz JBAQQYQJKFQTMJ-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP COC(C)(C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322933569 632253496 /nfs/dbraw/zinc/25/34/96/632253496.db2.gz OWXHKLARJSNJRU-RLAWYHOSSA-N 2 1 254.418 2.405 20 0 CEADMP CON1CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000323054963 632272473 /nfs/dbraw/zinc/27/24/73/632272473.db2.gz ISUWWOQOXOHJAX-ZBFHGGJFSA-N 2 1 283.460 2.112 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H]1CCOC12CCOCC2)[NH+]1CCCC1 ZINC000924630280 632361595 /nfs/dbraw/zinc/36/15/95/632361595.db2.gz AIUWVRFPQVOPED-CVEARBPZSA-N 2 1 296.455 2.035 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000924645811 632386405 /nfs/dbraw/zinc/38/64/05/632386405.db2.gz ANOBWUTXGYJAFS-IAZCMVOBSA-N 2 1 299.462 2.443 20 0 CEADMP CCO[C@H](C[NH2+][C@@H](C)CCC(F)(F)F)C[NH+](C)C ZINC000926961541 632387865 /nfs/dbraw/zinc/38/78/65/632387865.db2.gz PIPUZIIFTDAVFC-WDEREUQCSA-N 2 1 270.339 2.274 20 0 CEADMP CCO[C@H](CN[C@@H]1CCc2ccccc21)C[NH+](C)C ZINC000926967012 632396720 /nfs/dbraw/zinc/39/67/20/632396720.db2.gz ZJIMXNDRDJOHAG-GDBMZVCRSA-N 2 1 262.397 2.230 20 0 CEADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000924705268 632440029 /nfs/dbraw/zinc/44/00/29/632440029.db2.gz KZLAPNXFSXLBQY-ZNMIVQPWSA-N 2 1 256.434 2.248 20 0 CEADMP COC[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000927093204 632458383 /nfs/dbraw/zinc/45/83/83/632458383.db2.gz CVWPNKZKCOVFOI-NVXWUHKLSA-N 2 1 298.471 2.138 20 0 CEADMP Cc1cccc2c1[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000924754773 632793984 /nfs/dbraw/zinc/79/39/84/632793984.db2.gz GWUSYIPZTGBODS-HZPDHXFCSA-N 2 1 274.408 2.029 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc2ccccc2[nH]1 ZINC000924756711 632864596 /nfs/dbraw/zinc/86/45/96/632864596.db2.gz MEIHUWXQUXVNHH-DZGCQCFKSA-N 2 1 287.407 2.275 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc2ccccc2[nH]1 ZINC000924756716 632864610 /nfs/dbraw/zinc/86/46/10/632864610.db2.gz MEIHUWXQUXVNHH-UKRRQHHQSA-N 2 1 287.407 2.275 20 0 CEADMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+](C)C ZINC000900429561 633718515 /nfs/dbraw/zinc/71/85/15/633718515.db2.gz PWAUZQGXXBGQET-FZKCQIBNSA-N 2 1 295.471 2.190 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000817893651 633755237 /nfs/dbraw/zinc/75/52/37/633755237.db2.gz HVZYHPBZLVYWSP-HZPDHXFCSA-N 2 1 287.407 2.173 20 0 CEADMP COc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])ccc1OC(C)C ZINC000817901143 633761761 /nfs/dbraw/zinc/76/17/61/633761761.db2.gz SMTZCSXVIKHWDF-KBPBESRZSA-N 2 1 278.396 2.452 20 0 CEADMP C[C@H]([NH2+]CCc1ccc(Cl)nc1)[C@H]1CCC[NH2+]1 ZINC000817902461 633763934 /nfs/dbraw/zinc/76/39/34/633763934.db2.gz QZARLOFPHDQIIX-CMPLNLGQSA-N 2 1 253.777 2.008 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])o1 ZINC000817912123 633769447 /nfs/dbraw/zinc/76/94/47/633769447.db2.gz FNXVQXORPKQAFM-CWRNSKLLSA-N 2 1 288.391 2.170 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])N1CCCCC1 ZINC000817913909 633772404 /nfs/dbraw/zinc/77/24/04/633772404.db2.gz QNRHHVNMTMBPLF-ILXRZTDVSA-N 2 1 253.434 2.110 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000817914367 633773701 /nfs/dbraw/zinc/77/37/01/633773701.db2.gz YZJLCRHSABBUOC-SYQHCUMBSA-N 2 1 266.385 2.212 20 0 CEADMP C[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817917558 633775605 /nfs/dbraw/zinc/77/56/05/633775605.db2.gz OJCOMWVZOCYUJI-BPUTZDHNSA-N 2 1 274.408 2.230 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)c2ccccc21 ZINC000817918583 633776563 /nfs/dbraw/zinc/77/65/63/633776563.db2.gz LMMAOYVLVKCZBG-DAXOMENPSA-N 2 1 288.391 2.407 20 0 CEADMP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900585955 633781957 /nfs/dbraw/zinc/78/19/57/633781957.db2.gz DWFZHADTFHQQEM-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@H](O)c1ccccc1 ZINC000817927838 633782362 /nfs/dbraw/zinc/78/23/62/633782362.db2.gz QVQCGLTZGQXYNH-QSPRXWTASA-N 2 1 276.424 2.475 20 0 CEADMP C[NH+](C)CCN(C(=O)C[N@@H+](C)C1CCC1)C1CCCCC1 ZINC000900660516 633795461 /nfs/dbraw/zinc/79/54/61/633795461.db2.gz WUOQDNZTGJGXNY-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000817959881 633801354 /nfs/dbraw/zinc/80/13/54/633801354.db2.gz JUWWGLBSTZYIQX-ABAIWWIYSA-N 2 1 289.379 2.031 20 0 CEADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2c(c1)CCO2 ZINC000817960636 633803656 /nfs/dbraw/zinc/80/36/56/633803656.db2.gz ONCCGWFCVZCPDE-CABCVRRESA-N 2 1 260.381 2.400 20 0 CEADMP COC[C@]1(C[NH2+][C@@H](C)CSC(C)(C)C)CCC[NH2+]1 ZINC000817974724 633819006 /nfs/dbraw/zinc/81/90/06/633819006.db2.gz OEAPFFISSOJVSK-GXTWGEPZSA-N 2 1 274.474 2.265 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)c(COC)c1 ZINC000817979743 633823162 /nfs/dbraw/zinc/82/31/62/633823162.db2.gz NTWOEIBJWUKSQK-FZMZJTMJSA-N 2 1 266.385 2.230 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)C2CC2)C1 ZINC000818960003 634017486 /nfs/dbraw/zinc/01/74/86/634017486.db2.gz CZMVOYSNHLSPNA-LZWOXQAQSA-N 2 1 268.445 2.105 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000818968406 634021426 /nfs/dbraw/zinc/02/14/26/634021426.db2.gz SVDGRAYZOCTWNW-INIZCTEOSA-N 2 1 273.380 2.213 20 0 CEADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000818981989 634028487 /nfs/dbraw/zinc/02/84/87/634028487.db2.gz BTEKWTLHBSAHAY-FUHWJXTLSA-N 2 1 288.435 2.259 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000819100361 634068096 /nfs/dbraw/zinc/06/80/96/634068096.db2.gz GFOSTLOUCCVOKC-MRXNPFEDSA-N 2 1 291.370 2.434 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000819133604 634077860 /nfs/dbraw/zinc/07/78/60/634077860.db2.gz TZVBHAHSOFGBFA-JMSVASOKSA-N 2 1 298.377 2.461 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000819219730 634108231 /nfs/dbraw/zinc/10/82/31/634108231.db2.gz GMYUTRHDMULGFP-CXAGYDPISA-N 2 1 292.398 2.408 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902992219 634922262 /nfs/dbraw/zinc/92/22/62/634922262.db2.gz HVOKPFXQYSXOQB-HIFUNWJGSA-N 2 1 266.429 2.118 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902992219 634922264 /nfs/dbraw/zinc/92/22/64/634922264.db2.gz HVOKPFXQYSXOQB-HIFUNWJGSA-N 2 1 266.429 2.118 20 0 CEADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)C ZINC000903104965 634971927 /nfs/dbraw/zinc/97/19/27/634971927.db2.gz NMXQLVXAQRLUKE-WDVRLDOZSA-N 2 1 266.429 2.405 20 0 CEADMP CC[C@@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903111159 634974153 /nfs/dbraw/zinc/97/41/53/634974153.db2.gz UPYRUYBLHCRAIC-WYQXTGKHSA-N 2 1 266.429 2.142 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903092000 634974325 /nfs/dbraw/zinc/97/43/25/634974325.db2.gz FEOATMRXOJRAAH-CZUORRHYSA-N 2 1 259.397 2.464 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903092000 634974329 /nfs/dbraw/zinc/97/43/29/634974329.db2.gz FEOATMRXOJRAAH-CZUORRHYSA-N 2 1 259.397 2.464 20 0 CEADMP OC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903110964 634974552 /nfs/dbraw/zinc/97/45/52/634974552.db2.gz HSENKGLKQDKAFB-DLWDZIBASA-N 2 1 278.440 2.285 20 0 CEADMP C(COCC1CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903093035 634975305 /nfs/dbraw/zinc/97/53/05/634975305.db2.gz PDEPLCWQLWWYAO-VHRNVKJDSA-N 2 1 264.413 2.160 20 0 CEADMP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCOC1 ZINC000903097123 634977650 /nfs/dbraw/zinc/97/76/50/634977650.db2.gz OXLVKWKUDKDJGH-YPAMNDHTSA-N 2 1 264.413 2.160 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903112906 634977769 /nfs/dbraw/zinc/97/77/69/634977769.db2.gz KMVCXAQLGLWNIV-WPXLMEDKSA-N 2 1 274.412 2.019 20 0 CEADMP Fc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)n1 ZINC000903128107 634982778 /nfs/dbraw/zinc/98/27/78/634982778.db2.gz RMFHGGUUGJWNRU-LQDVMPOASA-N 2 1 275.371 2.468 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)O1 ZINC000903183152 635001494 /nfs/dbraw/zinc/00/14/94/635001494.db2.gz KZPGIYKMNSMDIS-XZMUVTDLSA-N 2 1 264.413 2.301 20 0 CEADMP CO[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903208826 635016293 /nfs/dbraw/zinc/01/62/93/635016293.db2.gz ACQFZRYPZYXOMO-UNOMJKSPSA-N 2 1 264.413 2.159 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CCc2ccccc2)CC[N@@H+]1C ZINC000903290569 635054058 /nfs/dbraw/zinc/05/40/58/635054058.db2.gz YXHQOKPLWJRHOC-OIISXLGYSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CCc2ccccc2)CC[N@H+]1C ZINC000903290569 635054061 /nfs/dbraw/zinc/05/40/61/635054061.db2.gz YXHQOKPLWJRHOC-OIISXLGYSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000903321323 635055056 /nfs/dbraw/zinc/05/50/56/635055056.db2.gz CBHYOHXNLWDJKK-KBAYOESNSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000903321323 635055059 /nfs/dbraw/zinc/05/50/59/635055059.db2.gz CBHYOHXNLWDJKK-KBAYOESNSA-N 2 1 287.451 2.333 20 0 CEADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc2nonc12 ZINC000903323195 635056535 /nfs/dbraw/zinc/05/65/35/635056535.db2.gz CJLOBYTUHVHDOI-LQDVMPOASA-N 2 1 298.390 2.470 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CCO)cc2)[C@@H]2CCC[C@@H]21 ZINC000903402712 635110554 /nfs/dbraw/zinc/11/05/54/635110554.db2.gz GUNQKSRBHRAJNV-BZSNNMDCSA-N 2 1 288.435 2.184 20 0 CEADMP CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903425981 635112551 /nfs/dbraw/zinc/11/25/51/635112551.db2.gz DHZXOXRUYGWACR-HIFRSBDPSA-N 2 1 292.423 2.381 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)C1 ZINC000903431077 635115118 /nfs/dbraw/zinc/11/51/18/635115118.db2.gz LQAMHDAMVBNMME-QJPTWQEYSA-N 2 1 280.334 2.157 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCc2sccc2C1 ZINC000903435076 635116090 /nfs/dbraw/zinc/11/60/90/635116090.db2.gz MYGFXPISAVLVCJ-YPMHNXCESA-N 2 1 250.411 2.352 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1c(C)noc1C ZINC000903458823 635125221 /nfs/dbraw/zinc/12/52/21/635125221.db2.gz KXUCJRBEDZOJIB-JIMOISOXSA-N 2 1 251.374 2.188 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000903463434 635127225 /nfs/dbraw/zinc/12/72/25/635127225.db2.gz AYPDEGDTSWCKFH-WCVJEAGWSA-N 2 1 266.429 2.123 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC000903464954 635128382 /nfs/dbraw/zinc/12/83/82/635128382.db2.gz ZWWPQZMQTSXVBK-ZBFHGGJFSA-N 2 1 255.365 2.481 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC000903464954 635128385 /nfs/dbraw/zinc/12/83/85/635128385.db2.gz ZWWPQZMQTSXVBK-ZBFHGGJFSA-N 2 1 255.365 2.481 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903450427 635134719 /nfs/dbraw/zinc/13/47/19/635134719.db2.gz VBXBWXXZZBCLED-RVMXOQNASA-N 2 1 258.356 2.339 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H](C(F)(F)F)O1 ZINC000903479033 635148494 /nfs/dbraw/zinc/14/84/94/635148494.db2.gz QMYJAPMKALRMPC-WHOHXGKFSA-N 2 1 280.334 2.156 20 0 CEADMP C(CN[C@@H]1CC[NH2+]C12CCCC2)CC1CC[NH2+]CC1 ZINC000903483693 635150983 /nfs/dbraw/zinc/15/09/83/635150983.db2.gz KCSQFVWSJGDTPR-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1CC[NH3+] ZINC000903495921 635157921 /nfs/dbraw/zinc/15/79/21/635157921.db2.gz BZZOVRJIQHQSBJ-GDBMZVCRSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]1COC(C)(C)C ZINC000903565581 635164337 /nfs/dbraw/zinc/16/43/37/635164337.db2.gz MSMNRIVWQIHYOS-RDBSUJKOSA-N 2 1 254.418 2.121 20 0 CEADMP c1csc(C[C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000903565250 635164749 /nfs/dbraw/zinc/16/47/49/635164749.db2.gz HRVZFHCHFUTMMW-OLZOCXBDSA-N 2 1 265.426 2.007 20 0 CEADMP CCn1nc(C)c(C[NH+]2CCC(C[NH+](CC)CC)CC2)n1 ZINC000823399513 635165080 /nfs/dbraw/zinc/16/50/80/635165080.db2.gz HOQFGJYGOCEKRJ-UHFFFAOYSA-N 2 1 293.459 2.160 20 0 CEADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@](C)(O)c1ccccc1 ZINC000823605936 635228059 /nfs/dbraw/zinc/22/80/59/635228059.db2.gz OOWIKONDUQARCR-DLBZAZTESA-N 2 1 276.424 2.310 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@](C)(O)c1ccccc1 ZINC000823605936 635228063 /nfs/dbraw/zinc/22/80/63/635228063.db2.gz OOWIKONDUQARCR-DLBZAZTESA-N 2 1 276.424 2.310 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@](C)(O)c1ccccc1 ZINC000823605936 635228066 /nfs/dbraw/zinc/22/80/66/635228066.db2.gz OOWIKONDUQARCR-DLBZAZTESA-N 2 1 276.424 2.310 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@](C)(O)c1ccccc1 ZINC000823605936 635228071 /nfs/dbraw/zinc/22/80/71/635228071.db2.gz OOWIKONDUQARCR-DLBZAZTESA-N 2 1 276.424 2.310 20 0 CEADMP C[N@H+](Cc1ccc(F)cc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719392 635233364 /nfs/dbraw/zinc/23/33/64/635233364.db2.gz ZFEVSMSPIAXKAV-CVEARBPZSA-N 2 1 278.371 2.026 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@H]1CCCC[NH2+]C1 ZINC000903718311 635233705 /nfs/dbraw/zinc/23/37/05/635233705.db2.gz KMMAKWONKKZPMC-HNNXBMFYSA-N 2 1 290.407 2.279 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@H]1CCCC[NH2+]C1 ZINC000903718311 635233709 /nfs/dbraw/zinc/23/37/09/635233709.db2.gz KMMAKWONKKZPMC-HNNXBMFYSA-N 2 1 290.407 2.279 20 0 CEADMP C[N@H+](Cc1ccc(F)cc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719394 635233905 /nfs/dbraw/zinc/23/39/05/635233905.db2.gz ZFEVSMSPIAXKAV-HOTGVXAUSA-N 2 1 278.371 2.026 20 0 CEADMP CC[N@@H+](CC(C)C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722338 635236347 /nfs/dbraw/zinc/23/63/47/635236347.db2.gz KVBOPMUMERTMLX-CQSZACIVSA-N 2 1 254.418 2.123 20 0 CEADMP c1ccc(C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903722623 635236497 /nfs/dbraw/zinc/23/64/97/635236497.db2.gz BUOLWZIAPUHEFH-MSOLQXFVSA-N 2 1 286.419 2.420 20 0 CEADMP c1ccc([C@@H]2CC[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903725197 635238152 /nfs/dbraw/zinc/23/81/52/635238152.db2.gz XWOHGLVVNLNPLE-KZNAEPCWSA-N 2 1 286.419 2.245 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H]1C ZINC000903725873 635238349 /nfs/dbraw/zinc/23/83/49/635238349.db2.gz INTWEEILTFHBLH-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP CCCC(=O)NC[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903726551 635239855 /nfs/dbraw/zinc/23/98/55/635239855.db2.gz MUBGMAAATVGYHB-HZPDHXFCSA-N 2 1 295.471 2.004 20 0 CEADMP c1ccc2c(c1)CCC[N@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903729672 635240961 /nfs/dbraw/zinc/24/09/61/635240961.db2.gz QJWXRSODXJKCTM-QZTJIDSGSA-N 2 1 286.419 2.203 20 0 CEADMP CSCC[C@@H](C)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903731764 635242277 /nfs/dbraw/zinc/24/22/77/635242277.db2.gz CNDPYYXZBHUNMS-KGLIPLIRSA-N 2 1 286.485 2.219 20 0 CEADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC2(CCCC2)C1 ZINC000903729938 635242496 /nfs/dbraw/zinc/24/24/96/635242496.db2.gz SWGZSNMDVMXQRJ-ZBFHGGJFSA-N 2 1 264.413 2.021 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732517 635243375 /nfs/dbraw/zinc/24/33/75/635243375.db2.gz FOMUEUWEMHKFRY-MJBXVCDLSA-N 2 1 252.402 2.018 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000903712775 635244176 /nfs/dbraw/zinc/24/41/76/635244176.db2.gz SAMMNLHIDGILGV-HZPDHXFCSA-N 2 1 266.429 2.125 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000903749037 635247552 /nfs/dbraw/zinc/24/75/52/635247552.db2.gz FICUKPDZKQSCBF-ULQDDVLXSA-N 3 1 279.472 2.088 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903751724 635248762 /nfs/dbraw/zinc/24/87/62/635248762.db2.gz IMMOIJDNLQBVPC-NJMOYASZSA-N 2 1 294.361 2.463 20 0 CEADMP C[C@@H]([N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2)C1(C)CC1 ZINC000903734234 635250681 /nfs/dbraw/zinc/25/06/81/635250681.db2.gz WHFILPJFLDRFRS-ZIAGYGMSSA-N 2 1 266.429 2.266 20 0 CEADMP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000903740592 635253748 /nfs/dbraw/zinc/25/37/48/635253748.db2.gz XMUXCPINFLIUID-IAGOWNOFSA-N 3 1 279.472 2.326 20 0 CEADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000903740592 635253753 /nfs/dbraw/zinc/25/37/53/635253753.db2.gz XMUXCPINFLIUID-IAGOWNOFSA-N 3 1 279.472 2.326 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903779810 635265950 /nfs/dbraw/zinc/26/59/50/635265950.db2.gz BIQPKFUQHJXHFM-LSDHHAIUSA-N 2 1 282.428 2.041 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccnc(Cl)c1F ZINC000823742236 635270258 /nfs/dbraw/zinc/27/02/58/635270258.db2.gz LPFCMCBFHITFPL-UHFFFAOYSA-N 2 1 268.723 2.169 20 0 CEADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903788409 635270839 /nfs/dbraw/zinc/27/08/39/635270839.db2.gz KJBJXRAIEJPRLG-CVEARBPZSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)C[C@H]1CN(C)CC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903788409 635270842 /nfs/dbraw/zinc/27/08/42/635270842.db2.gz KJBJXRAIEJPRLG-CVEARBPZSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)C[C@H]1CN(C)CC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903788409 635270847 /nfs/dbraw/zinc/27/08/47/635270847.db2.gz KJBJXRAIEJPRLG-CVEARBPZSA-N 2 1 267.461 2.038 20 0 CEADMP CC1(C)CO[C@H](C[N@@H+]2CCC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000903800804 635278394 /nfs/dbraw/zinc/27/83/94/635278394.db2.gz IDSOGTRFEGXFAG-IPYPFGDCSA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000903800804 635278398 /nfs/dbraw/zinc/27/83/98/635278398.db2.gz IDSOGTRFEGXFAG-IPYPFGDCSA-N 2 1 252.402 2.005 20 0 CEADMP Cc1c[nH]nc1C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810299 635285385 /nfs/dbraw/zinc/28/53/85/635285385.db2.gz ABXYMNQBNNCALU-CQSZACIVSA-N 2 1 262.401 2.202 20 0 CEADMP Cc1c[nH]nc1C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810299 635285388 /nfs/dbraw/zinc/28/53/88/635285388.db2.gz ABXYMNQBNNCALU-CQSZACIVSA-N 2 1 262.401 2.202 20 0 CEADMP c1csc(C[C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903831149 635295952 /nfs/dbraw/zinc/29/59/52/635295952.db2.gz FNOFLBINGGPDEQ-OLZOCXBDSA-N 2 1 265.426 2.007 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@@H]1CC1(Cl)Cl)C2 ZINC000903842731 635301626 /nfs/dbraw/zinc/30/16/26/635301626.db2.gz SSKDUHNYGQBILP-VLEAKVRGSA-N 2 1 263.212 2.382 20 0 CEADMP COc1ccc(OCCC[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903857803 635308984 /nfs/dbraw/zinc/30/89/84/635308984.db2.gz WBYNSLQCOWCUNM-WMLDXEAASA-N 2 1 290.407 2.277 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903857803 635308989 /nfs/dbraw/zinc/30/89/89/635308989.db2.gz WBYNSLQCOWCUNM-WMLDXEAASA-N 2 1 290.407 2.277 20 0 CEADMP COc1ccc(OCCC[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903857802 635309532 /nfs/dbraw/zinc/30/95/32/635309532.db2.gz WBYNSLQCOWCUNM-RHSMWYFYSA-N 2 1 290.407 2.277 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903857802 635309537 /nfs/dbraw/zinc/30/95/37/635309537.db2.gz WBYNSLQCOWCUNM-RHSMWYFYSA-N 2 1 290.407 2.277 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCCOCc1ccccc1 ZINC000903859334 635310184 /nfs/dbraw/zinc/31/01/84/635310184.db2.gz MOQGSJGMNFGRDX-IAGOWNOFSA-N 2 1 274.408 2.407 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCCOCc1ccccc1 ZINC000903859334 635310187 /nfs/dbraw/zinc/31/01/87/635310187.db2.gz MOQGSJGMNFGRDX-IAGOWNOFSA-N 2 1 274.408 2.407 20 0 CEADMP c1ccc(CCOCCC[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000903863557 635313744 /nfs/dbraw/zinc/31/37/44/635313744.db2.gz BSVCUVMWYJKZMY-GOSISDBHSA-N 2 1 288.435 2.464 20 0 CEADMP c1ccc(CCOCCC[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000903863557 635313750 /nfs/dbraw/zinc/31/37/50/635313750.db2.gz BSVCUVMWYJKZMY-GOSISDBHSA-N 2 1 288.435 2.464 20 0 CEADMP CC[C@@]1(C)CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903894769 635329987 /nfs/dbraw/zinc/32/99/87/635329987.db2.gz DLIKOBYPCKWKQN-ZBFHGGJFSA-N 2 1 291.443 2.215 20 0 CEADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903921844 635350132 /nfs/dbraw/zinc/35/01/32/635350132.db2.gz REBYKQZEGDROEA-SKDRFNHKSA-N 2 1 270.323 2.255 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000824101011 635350594 /nfs/dbraw/zinc/35/05/94/635350594.db2.gz CGJVAEZSIZLHLT-IYBDPMFKSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000903975270 635393852 /nfs/dbraw/zinc/39/38/52/635393852.db2.gz ZBQIZPFVEUNPNX-KFWWJZLASA-N 2 1 266.429 2.313 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CC[NH2+]C1 ZINC000903979122 635395866 /nfs/dbraw/zinc/39/58/66/635395866.db2.gz WDSMEBWRCRRGIF-MNOVXSKESA-N 2 1 280.309 2.352 20 0 CEADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963619 635397570 /nfs/dbraw/zinc/39/75/70/635397570.db2.gz CLZRGBMAWZLMNN-LALPHHSUSA-N 2 1 250.361 2.344 20 0 CEADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963655 635397830 /nfs/dbraw/zinc/39/78/30/635397830.db2.gz DPGVEBAPPBPJCV-XHBSWPGZSA-N 2 1 272.396 2.082 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969388 635400563 /nfs/dbraw/zinc/40/05/63/635400563.db2.gz FEJSXGKWHLFXLM-HUUCEWRRSA-N 2 1 268.445 2.417 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000824766156 635494286 /nfs/dbraw/zinc/49/42/86/635494286.db2.gz SELGBAPEJJRWLT-SNVBAGLBSA-N 2 1 251.201 2.254 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)C1 ZINC000904315884 635552520 /nfs/dbraw/zinc/55/25/20/635552520.db2.gz GCKLCPWJBKPCPW-PQEBFOHHSA-N 2 1 274.408 2.312 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCO3)CC[C@@H]1[NH3+] ZINC000904300097 635553651 /nfs/dbraw/zinc/55/36/51/635553651.db2.gz WAFYLVCRFQWTBJ-DOMZBBRYSA-N 2 1 260.381 2.181 20 0 CEADMP C[N@H+](C[C@@H]1COc2ccccc2O1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904303888 635555162 /nfs/dbraw/zinc/55/51/62/635555162.db2.gz LBFCWEMWHYYVSF-PBHICJAKSA-N 2 1 290.407 2.148 20 0 CEADMP C[N@@H+](C[C@@H]1COc2ccccc2O1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904303888 635555186 /nfs/dbraw/zinc/55/51/86/635555186.db2.gz LBFCWEMWHYYVSF-PBHICJAKSA-N 2 1 290.407 2.148 20 0 CEADMP COc1ccc2c(c1)C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)CC2 ZINC000904313794 635561394 /nfs/dbraw/zinc/56/13/94/635561394.db2.gz KESJCCLGJSJYBS-KRWDZBQOSA-N 2 1 274.408 2.443 20 0 CEADMP COc1ccc2c(c1)C[N@H+](C[C@@]1(C)CCC[NH2+]C1)CC2 ZINC000904313794 635561396 /nfs/dbraw/zinc/56/13/96/635561396.db2.gz KESJCCLGJSJYBS-KRWDZBQOSA-N 2 1 274.408 2.443 20 0 CEADMP CC[N@H+](CC(=O)Nc1c(C)cccc1C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325164 635570432 /nfs/dbraw/zinc/57/04/32/635570432.db2.gz ROKVTMMUTKNTGA-GASCZTMLSA-N 2 1 289.423 2.301 20 0 CEADMP CCOC[C@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904326463 635572139 /nfs/dbraw/zinc/57/21/39/635572139.db2.gz KEIOIJLPCFKUET-UONOGXRCSA-N 2 1 256.434 2.498 20 0 CEADMP CCOC[C@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904326463 635572141 /nfs/dbraw/zinc/57/21/41/635572141.db2.gz KEIOIJLPCFKUET-UONOGXRCSA-N 2 1 256.434 2.498 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)C1 ZINC000904328305 635573072 /nfs/dbraw/zinc/57/30/72/635573072.db2.gz NEABUHNSCQEAGU-ZFVVBOAOSA-N 2 1 292.398 2.451 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@@H]2C2CCOCC2)CCC[NH2+]C1 ZINC000904345850 635581856 /nfs/dbraw/zinc/58/18/56/635581856.db2.gz KCAPSODZNNGRPE-HZPDHXFCSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C[C@H]([NH3+])CCC(C)(C)C ZINC000904346178 635581933 /nfs/dbraw/zinc/58/19/33/635581933.db2.gz PWZNRMVUDTUNKP-MGPQQGTHSA-N 2 1 255.450 2.164 20 0 CEADMP C[C@H]([NH3+])c1ccc(CNC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904350839 635584629 /nfs/dbraw/zinc/58/46/29/635584629.db2.gz QFIFHMPWTZIPLF-XJKSGUPXSA-N 2 1 261.413 2.186 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1C ZINC000904373367 635594531 /nfs/dbraw/zinc/59/45/31/635594531.db2.gz DAJPRJNAHQIIGI-HUUCEWRRSA-N 2 1 276.380 2.141 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@@]1(C)CCC[NH2+]C1)CCOCC2 ZINC000904374536 635595431 /nfs/dbraw/zinc/59/54/31/635595431.db2.gz SYNXSWBTCYWHAZ-GJZGRUSLSA-N 2 1 266.429 2.267 20 0 CEADMP c1c(C2CC2)nn2c1C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000904388794 635597694 /nfs/dbraw/zinc/59/76/94/635597694.db2.gz BHDWIEYKZGALEH-LQDVMPOASA-N 2 1 286.423 2.107 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC000904377537 635603162 /nfs/dbraw/zinc/60/31/62/635603162.db2.gz RYWWNJGDVPBWSW-SJORKVTESA-N 3 1 279.472 2.088 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904384875 635606621 /nfs/dbraw/zinc/60/66/21/635606621.db2.gz OPFSDUPUNWDXSF-HOCLYGCPSA-N 2 1 282.428 2.041 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000904385132 635607306 /nfs/dbraw/zinc/60/73/06/635607306.db2.gz TVGGXGWATGLZTM-AGIUHOORSA-N 2 1 294.361 2.418 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000904385132 635607309 /nfs/dbraw/zinc/60/73/09/635607309.db2.gz TVGGXGWATGLZTM-AGIUHOORSA-N 2 1 294.361 2.418 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000904407243 635614990 /nfs/dbraw/zinc/61/49/90/635614990.db2.gz RAWYYLTXFNAKNX-ZDUSSCGKSA-N 2 1 288.395 2.159 20 0 CEADMP COCCOc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000904410145 635616744 /nfs/dbraw/zinc/61/67/44/635616744.db2.gz BKPIYOKQQAGGKN-GDBMZVCRSA-N 2 1 292.423 2.129 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(F)c1 ZINC000904410224 635617254 /nfs/dbraw/zinc/61/72/54/635617254.db2.gz MQHYUDCGFBCLLZ-NEPJUHHUSA-N 2 1 266.360 2.251 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)o1 ZINC000904412801 635620017 /nfs/dbraw/zinc/62/00/17/635620017.db2.gz ZBZQKZSFSVCTRH-WCQYABFASA-N 2 1 288.395 2.395 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCO3)CC[C@@H]1C[NH3+] ZINC000904412033 635620067 /nfs/dbraw/zinc/62/00/67/635620067.db2.gz ZVUFCRDPLZTDTO-CZUORRHYSA-N 2 1 274.408 2.428 20 0 CEADMP COCCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000904412476 635620417 /nfs/dbraw/zinc/62/04/17/635620417.db2.gz UOWPOWFPBHYMJF-GDBMZVCRSA-N 2 1 292.423 2.129 20 0 CEADMP c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)co1 ZINC000904416980 635623033 /nfs/dbraw/zinc/62/30/33/635623033.db2.gz VRSYBRYRWROMKR-CYBMUJFWSA-N 2 1 263.385 2.276 20 0 CEADMP CC(C)c1ncc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000904420333 635631235 /nfs/dbraw/zinc/63/12/35/635631235.db2.gz KUONDXKCLMMGLO-NWDGAFQWSA-N 2 1 265.426 2.308 20 0 CEADMP CC(C)c1ncc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000904420333 635631236 /nfs/dbraw/zinc/63/12/36/635631236.db2.gz KUONDXKCLMMGLO-NWDGAFQWSA-N 2 1 265.426 2.308 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1OC ZINC000904420263 635631562 /nfs/dbraw/zinc/63/15/62/635631562.db2.gz ITJBQZPPTUTPGS-DZGCQCFKSA-N 2 1 290.407 2.054 20 0 CEADMP Cc1ccc(C[NH2+]CC2([NH3+])CC2)cc1Br ZINC000904451241 635642292 /nfs/dbraw/zinc/64/22/92/635642292.db2.gz WLBFGOWSIDQOFI-UHFFFAOYSA-N 2 1 269.186 2.338 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)Nc1ccccc1C[NH3+] ZINC000904629473 635691027 /nfs/dbraw/zinc/69/10/27/635691027.db2.gz XAHNOYNCRHFVHJ-UHFFFAOYSA-N 2 1 292.427 2.245 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1C[NH3+] ZINC000904664433 635701949 /nfs/dbraw/zinc/70/19/49/635701949.db2.gz GOIXTUVQCAAGNC-CYBMUJFWSA-N 2 1 290.411 2.141 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@](C)(O)C(F)F)c1 ZINC000905062235 635808098 /nfs/dbraw/zinc/80/80/98/635808098.db2.gz LZUXMJUJNIBYHN-OAHLLOKOSA-N 2 1 286.366 2.244 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@](O)(CC)C(F)(F)F)C1 ZINC000905067431 635810163 /nfs/dbraw/zinc/81/01/63/635810163.db2.gz XUUINJSAFZRBLM-RYUDHWBXSA-N 2 1 282.350 2.011 20 0 CEADMP C=C/C=C/CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000905423696 636274257 /nfs/dbraw/zinc/27/42/57/636274257.db2.gz QRRMRVJLKCZGJZ-LAQIPUCWSA-N 2 1 274.408 2.201 20 0 CEADMP C=C/C=C/CC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000905423696 636274261 /nfs/dbraw/zinc/27/42/61/636274261.db2.gz QRRMRVJLKCZGJZ-LAQIPUCWSA-N 2 1 274.408 2.201 20 0 CEADMP CC[C@H](C)[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C(=O)OC ZINC000905763223 636449371 /nfs/dbraw/zinc/44/93/71/636449371.db2.gz LSJKUIDWSPUGPW-WFASDCNBSA-N 2 1 282.428 2.038 20 0 CEADMP CC[C@](O)(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C(F)(F)F ZINC000905939691 636535024 /nfs/dbraw/zinc/53/50/24/636535024.db2.gz GVXNRJHEYJBZEE-AGIUHOORSA-N 2 1 294.361 2.106 20 0 CEADMP CC[C@](O)(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C(F)(F)F ZINC000905939691 636535027 /nfs/dbraw/zinc/53/50/27/636535027.db2.gz GVXNRJHEYJBZEE-AGIUHOORSA-N 2 1 294.361 2.106 20 0 CEADMP CC[C@](O)(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C(F)(F)F ZINC000905939691 636535033 /nfs/dbraw/zinc/53/50/33/636535033.db2.gz GVXNRJHEYJBZEE-AGIUHOORSA-N 2 1 294.361 2.106 20 0 CEADMP CC(C)C[C@]1(C)CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000830798305 637164673 /nfs/dbraw/zinc/16/46/73/637164673.db2.gz HFWSZLHJXDKJPM-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)C[C@]1(C)CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000830798305 637164678 /nfs/dbraw/zinc/16/46/78/637164678.db2.gz HFWSZLHJXDKJPM-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP C([NH2+][C@H](C1CC1)C1CCCC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000834566983 637871291 /nfs/dbraw/zinc/87/12/91/637871291.db2.gz WLTSIBOXHCRQBR-IKGGRYGDSA-N 2 1 278.440 2.408 20 0 CEADMP C([NH2+][C@H](C1CC1)C1CCCC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000834566983 637871295 /nfs/dbraw/zinc/87/12/95/637871295.db2.gz WLTSIBOXHCRQBR-IKGGRYGDSA-N 2 1 278.440 2.408 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)n(C)n1 ZINC000834909199 637984834 /nfs/dbraw/zinc/98/48/34/637984834.db2.gz PMLIRSZKCDUKEL-ZDUSSCGKSA-N 2 1 264.417 2.254 20 0 CEADMP Cc1[nH+]ccn1CCOC(=O)c1cccc(C[NH+](C)C)c1 ZINC000835328589 638194017 /nfs/dbraw/zinc/19/40/17/638194017.db2.gz PLTPTWDZDVMABU-UHFFFAOYSA-N 2 1 287.363 2.110 20 0 CEADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)CC2 ZINC000911844929 638441462 /nfs/dbraw/zinc/44/14/62/638441462.db2.gz HCAFUXJGURCODC-RISCZKNCSA-N 2 1 298.390 2.412 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[NH+](CC)C2)C1 ZINC000912399822 638680114 /nfs/dbraw/zinc/68/01/14/638680114.db2.gz ZLCBYSGPZZRMDP-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[N@H+](CC)C2)C1 ZINC000912399822 638680120 /nfs/dbraw/zinc/68/01/20/638680120.db2.gz ZLCBYSGPZZRMDP-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)C1 ZINC000912399822 638680123 /nfs/dbraw/zinc/68/01/23/638680123.db2.gz ZLCBYSGPZZRMDP-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](C(C)C)C1 ZINC000837186267 639104164 /nfs/dbraw/zinc/10/41/64/639104164.db2.gz OUXKHUOSQVMPJT-INIZCTEOSA-N 2 1 297.487 2.440 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000837186267 639104205 /nfs/dbraw/zinc/10/42/05/639104205.db2.gz OUXKHUOSQVMPJT-INIZCTEOSA-N 2 1 297.487 2.440 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000837186267 639104229 /nfs/dbraw/zinc/10/42/29/639104229.db2.gz OUXKHUOSQVMPJT-INIZCTEOSA-N 2 1 297.487 2.440 20 0 CEADMP CC(C)[C@@H](C(=O)OCC[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000837681910 639340303 /nfs/dbraw/zinc/34/03/03/639340303.db2.gz QLSGQHVUXBYPSH-INIZCTEOSA-N 2 1 292.423 2.248 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)N1CCc2ccccc21 ZINC000925485289 639437408 /nfs/dbraw/zinc/43/74/08/639437408.db2.gz AEBGYAUHGPQYKI-BBRMVZONSA-N 2 1 273.424 2.168 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000841039022 639629016 /nfs/dbraw/zinc/62/90/16/639629016.db2.gz XJFFPJRKVVKVHM-HNNXBMFYSA-N 2 1 289.423 2.059 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471576 639636333 /nfs/dbraw/zinc/63/63/33/639636333.db2.gz NFNXLBMVQUYUTF-CAOSSQGBSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000232121654 639899648 /nfs/dbraw/zinc/89/96/48/639899648.db2.gz XPIRBQITTMJVKU-AEGPPILISA-N 2 1 254.418 2.129 20 0 CEADMP Cc1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)n(C)n1 ZINC000841887836 639900518 /nfs/dbraw/zinc/90/05/18/639900518.db2.gz QUXLDMHVJUZPOA-UHFFFAOYSA-N 2 1 286.423 2.422 20 0 CEADMP Cc1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)n(C)n1 ZINC000841887836 639900521 /nfs/dbraw/zinc/90/05/21/639900521.db2.gz QUXLDMHVJUZPOA-UHFFFAOYSA-N 2 1 286.423 2.422 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000877030752 650538294 /nfs/dbraw/zinc/53/82/94/650538294.db2.gz ITKOFRUDNDUMIU-IVSAIRAKSA-N 2 1 278.440 2.266 20 0 CEADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000840744652 639973321 /nfs/dbraw/zinc/97/33/21/639973321.db2.gz HMPAKQUZXRQTFD-GOSISDBHSA-N 2 1 288.435 2.320 20 0 CEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccccc1Cl ZINC000842471783 640070956 /nfs/dbraw/zinc/07/09/56/640070956.db2.gz ZUIIKRFCBDYDJT-GFCCVEGCSA-N 2 1 295.814 2.210 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000842473552 640072264 /nfs/dbraw/zinc/07/22/64/640072264.db2.gz YYLZCZZIEFFESR-LSDHHAIUSA-N 2 1 254.418 2.397 20 0 CEADMP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCCCCCC[NH3+] ZINC000842476936 640076418 /nfs/dbraw/zinc/07/64/18/640076418.db2.gz XQSUEVNDBPORDG-KFWWJZLASA-N 2 1 282.428 2.169 20 0 CEADMP Cc1cccc([C@H](O)CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000929783711 640200407 /nfs/dbraw/zinc/20/04/07/640200407.db2.gz YTXIZPRDEXJJJC-USXIJHARSA-N 2 1 276.424 2.443 20 0 CEADMP Cc1cccc([C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000929783711 640200411 /nfs/dbraw/zinc/20/04/11/640200411.db2.gz YTXIZPRDEXJJJC-USXIJHARSA-N 2 1 276.424 2.443 20 0 CEADMP Cc1cccc([C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000929783711 640200414 /nfs/dbraw/zinc/20/04/14/640200414.db2.gz YTXIZPRDEXJJJC-USXIJHARSA-N 2 1 276.424 2.443 20 0 CEADMP Cc1cccc([C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000929783711 640200419 /nfs/dbraw/zinc/20/04/19/640200419.db2.gz YTXIZPRDEXJJJC-USXIJHARSA-N 2 1 276.424 2.443 20 0 CEADMP Cc1cccc([C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000929783711 640200423 /nfs/dbraw/zinc/20/04/23/640200423.db2.gz YTXIZPRDEXJJJC-USXIJHARSA-N 2 1 276.424 2.443 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)CCO1 ZINC000843051122 640254871 /nfs/dbraw/zinc/25/48/71/640254871.db2.gz ALBJEDMMQOFDPL-TUVASFSCSA-N 2 1 254.418 2.251 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843055503 640257763 /nfs/dbraw/zinc/25/77/63/640257763.db2.gz DHXZKWOSQSJQRC-UHFFFAOYSA-N 2 1 275.396 2.347 20 0 CEADMP CCOc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)nc1 ZINC000843056078 640258183 /nfs/dbraw/zinc/25/81/83/640258183.db2.gz XUPNXBKFZUXZSJ-UHFFFAOYSA-N 2 1 263.385 2.182 20 0 CEADMP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc12 ZINC000843127613 640294089 /nfs/dbraw/zinc/29/40/89/640294089.db2.gz FDSVZDXYZUBEPM-RKDXNWHRSA-N 2 1 295.818 2.146 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844457421 640735923 /nfs/dbraw/zinc/73/59/23/640735923.db2.gz JUTJMFAWOORAOO-TXEJJXNPSA-N 2 1 255.312 2.169 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844457421 640735942 /nfs/dbraw/zinc/73/59/42/640735942.db2.gz JUTJMFAWOORAOO-TXEJJXNPSA-N 2 1 255.312 2.169 20 0 CEADMP CC[N@H+](CCc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000917008147 640837711 /nfs/dbraw/zinc/83/77/11/640837711.db2.gz MYOJFNIHKDZNJM-QGZVFWFLSA-N 2 1 276.424 2.008 20 0 CEADMP CC[N@@H+](CCc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000917008147 640837718 /nfs/dbraw/zinc/83/77/18/640837718.db2.gz MYOJFNIHKDZNJM-QGZVFWFLSA-N 2 1 276.424 2.008 20 0 CEADMP COC(=O)/C=C(/C)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000930059925 641015495 /nfs/dbraw/zinc/01/54/95/641015495.db2.gz FNDLIGVSWOXEFY-YYKIQEHNSA-N 2 1 292.423 2.054 20 0 CEADMP COC(=O)/C=C(/C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000930059925 641015497 /nfs/dbraw/zinc/01/54/97/641015497.db2.gz FNDLIGVSWOXEFY-YYKIQEHNSA-N 2 1 292.423 2.054 20 0 CEADMP COC(=O)/C=C(/C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000930059925 641015500 /nfs/dbraw/zinc/01/55/00/641015500.db2.gz FNDLIGVSWOXEFY-YYKIQEHNSA-N 2 1 292.423 2.054 20 0 CEADMP COC(=O)/C=C(/C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000930059925 641015504 /nfs/dbraw/zinc/01/55/04/641015504.db2.gz FNDLIGVSWOXEFY-YYKIQEHNSA-N 2 1 292.423 2.054 20 0 CEADMP CC[C@@H](C)[C@@H](C(=O)OC)[N@H+](C)CCCn1cc[nH+]c1C ZINC000930060429 641017465 /nfs/dbraw/zinc/01/74/65/641017465.db2.gz MGGILKULVGZVCJ-OCCSQVGLSA-N 2 1 281.400 2.101 20 0 CEADMP CC[C@@H](C)[C@@H](C(=O)OC)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000930060429 641017467 /nfs/dbraw/zinc/01/74/67/641017467.db2.gz MGGILKULVGZVCJ-OCCSQVGLSA-N 2 1 281.400 2.101 20 0 CEADMP CC(C)[C@H](C(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+]1CCCCC1 ZINC000845818831 641102723 /nfs/dbraw/zinc/10/27/23/641102723.db2.gz IVAOGTOMWVDVEG-OWCLPIDISA-N 2 1 296.455 2.380 20 0 CEADMP C[C@@H](O)C[N@@H+](CCCCCC[NH3+])Cc1ccccc1 ZINC000846218352 641227399 /nfs/dbraw/zinc/22/73/99/641227399.db2.gz MDVGOEACQZWTOJ-OAHLLOKOSA-N 2 1 264.413 2.389 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000846221951 641231121 /nfs/dbraw/zinc/23/11/21/641231121.db2.gz RCWZUBHUWVWETO-MRXNPFEDSA-N 2 1 267.461 2.456 20 0 CEADMP [NH3+]CCCCCCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000846221951 641231130 /nfs/dbraw/zinc/23/11/30/641231130.db2.gz RCWZUBHUWVWETO-MRXNPFEDSA-N 2 1 267.461 2.456 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@H]1CC[NH3+] ZINC000846226541 641234601 /nfs/dbraw/zinc/23/46/01/641234601.db2.gz OUPLXKOWSJLJQY-GJZGRUSLSA-N 3 1 255.450 2.345 20 0 CEADMP CC(=O)C1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000846946545 641494725 /nfs/dbraw/zinc/49/47/25/641494725.db2.gz JLCGKTXVLJMECU-UHFFFAOYSA-N 2 1 263.385 2.273 20 0 CEADMP Cc1ccc(OCC[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070170443 641639785 /nfs/dbraw/zinc/63/97/85/641639785.db2.gz OODDYLWSDAKAQM-OAHLLOKOSA-N 2 1 262.397 2.435 20 0 CEADMP CC[NH+](CC)CCOCC[NH2+]Cc1nc(Cl)cs1 ZINC000877333586 650678810 /nfs/dbraw/zinc/67/88/10/650678810.db2.gz YBFSOSTWOVSXFR-UHFFFAOYSA-N 2 1 291.848 2.245 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)N1CCc2ccccc21 ZINC000925485943 641693390 /nfs/dbraw/zinc/69/33/90/641693390.db2.gz CZYZMNNDULEPBT-YOEHRIQHSA-N 2 1 285.435 2.312 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(Cl)n2C)C1 ZINC000848534277 642039423 /nfs/dbraw/zinc/03/94/23/642039423.db2.gz QGDLLPZPQGFAJQ-GFCCVEGCSA-N 2 1 284.835 2.284 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(Cl)n2C)C1 ZINC000848534277 642039432 /nfs/dbraw/zinc/03/94/32/642039432.db2.gz QGDLLPZPQGFAJQ-GFCCVEGCSA-N 2 1 284.835 2.284 20 0 CEADMP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996677600 642127384 /nfs/dbraw/zinc/12/73/84/642127384.db2.gz WANCZGFAHZLQRS-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000996903868 642158222 /nfs/dbraw/zinc/15/82/22/642158222.db2.gz KOYKVNHGROMUMN-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CCCC1)Cc1ccccc1 ZINC000848981694 642204486 /nfs/dbraw/zinc/20/44/86/642204486.db2.gz TZJHHADNQQGMPW-MRXNPFEDSA-N 2 1 288.439 2.216 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnn(C2CCC2)c1)C[NH+]1CCCC1 ZINC000921551528 642231701 /nfs/dbraw/zinc/23/17/01/642231701.db2.gz DQYZGNCELLSFLR-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP Cc1cccc(NC(=[NH2+])NCC2=CC[N@@H+](C)CC2)c1 ZINC000849016750 642232216 /nfs/dbraw/zinc/23/22/16/642232216.db2.gz HHUCPABLYDSKRU-UHFFFAOYSA-N 2 1 258.369 2.193 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=[NH2+])N1CCC1)C1CC1 ZINC000849020153 642234740 /nfs/dbraw/zinc/23/47/40/642234740.db2.gz PVTVYZKQMFQERL-INIZCTEOSA-N 2 1 286.423 2.127 20 0 CEADMP Cc1nn(C)c(C[NH2+]CCCn2cc[nH+]c2C)c1Cl ZINC000921558918 642245396 /nfs/dbraw/zinc/24/53/96/642245396.db2.gz SPLUYMOYWWTUSR-UHFFFAOYSA-N 2 1 281.791 2.067 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1CC(C)C ZINC000849040669 642251610 /nfs/dbraw/zinc/25/16/10/642251610.db2.gz PRGYKHPUSKDHDU-HZSPNIEDSA-N 2 1 266.433 2.019 20 0 CEADMP CCNC(=[NH2+])NCCC[N@@H+](CC)C1CCCCC1 ZINC000849046318 642255723 /nfs/dbraw/zinc/25/57/23/642255723.db2.gz BNJGVSIFCBODBB-UHFFFAOYSA-N 2 1 254.422 2.165 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921620415 642276491 /nfs/dbraw/zinc/27/64/91/642276491.db2.gz UEYVXHAURSONHN-CQSZACIVSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921620415 642276497 /nfs/dbraw/zinc/27/64/97/642276497.db2.gz UEYVXHAURSONHN-CQSZACIVSA-N 2 1 276.428 2.428 20 0 CEADMP CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997641004 642312968 /nfs/dbraw/zinc/31/29/68/642312968.db2.gz DNCLVIQXTQNLOO-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999350886 642482401 /nfs/dbraw/zinc/48/24/01/642482401.db2.gz CIBPGIPXXYHRED-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CC2([NH3+])CCC2)C1 ZINC000166049844 642620690 /nfs/dbraw/zinc/62/06/90/642620690.db2.gz CUZAHECWRBKWJZ-OKILXGFUSA-N 2 1 295.471 2.131 20 0 CEADMP COc1cncc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000850246701 642637593 /nfs/dbraw/zinc/63/75/93/642637593.db2.gz VYIRWUILKCWTNS-CQSZACIVSA-N 2 1 277.412 2.444 20 0 CEADMP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000921824680 642693712 /nfs/dbraw/zinc/69/37/12/642693712.db2.gz ANFWCNWUINYWFV-ZDUSSCGKSA-N 2 1 297.443 2.419 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2COC3(CCC3)C2)[C@H](C)C1 ZINC000850439635 642713983 /nfs/dbraw/zinc/71/39/83/642713983.db2.gz QHIPZIKXYPUOAN-MCIONIFRSA-N 2 1 252.402 2.018 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC001001465493 642723134 /nfs/dbraw/zinc/72/31/34/642723134.db2.gz CILPMEXHNMJABN-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2C[C@@H](O)c3ccccc32)CC[N@H+]1C ZINC000850526367 642742423 /nfs/dbraw/zinc/74/24/23/642742423.db2.gz BOQDSSJSRTYCSK-AVRGHOLYSA-N 2 1 260.381 2.237 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)c3ccccc32)CCN1C ZINC000850526367 642742426 /nfs/dbraw/zinc/74/24/26/642742426.db2.gz BOQDSSJSRTYCSK-AVRGHOLYSA-N 2 1 260.381 2.237 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)c3ccccc32)CC[N@@H+]1C ZINC000850526367 642742430 /nfs/dbraw/zinc/74/24/30/642742430.db2.gz BOQDSSJSRTYCSK-AVRGHOLYSA-N 2 1 260.381 2.237 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)c3ccccc32)CC[N@H+]1C ZINC000850526367 642742434 /nfs/dbraw/zinc/74/24/34/642742434.db2.gz BOQDSSJSRTYCSK-AVRGHOLYSA-N 2 1 260.381 2.237 20 0 CEADMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@@H]1CC[C@H]3COCC[C@@H]3C1)CC2 ZINC000922064059 642861917 /nfs/dbraw/zinc/86/19/17/642861917.db2.gz RWAWYFQKYPQYCS-LVQVYYBASA-N 2 1 289.423 2.240 20 0 CEADMP Cn1cc(C[NH2+]CCc2c[nH+]cn2C)c(C2CCCC2)n1 ZINC000922273950 642994660 /nfs/dbraw/zinc/99/46/60/642994660.db2.gz PJFGUKVRAQAXQH-UHFFFAOYSA-N 2 1 287.411 2.144 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CC)CC1 ZINC001003941049 643030396 /nfs/dbraw/zinc/03/03/96/643030396.db2.gz SQBZKXWXRCSGNN-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC(C)C)C2)[C@H]1C(C)C ZINC000922391297 643058065 /nfs/dbraw/zinc/05/80/65/643058065.db2.gz BIIVMCIKOGPOSZ-FPCVCCKLSA-N 2 1 268.445 2.102 20 0 CEADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccco3)C2)[C@H]1C(C)C ZINC000922391959 643059626 /nfs/dbraw/zinc/05/96/26/643059626.db2.gz IFFPJUNTVRIKMF-VQHPVUNQSA-N 2 1 292.423 2.239 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H](CO)CCc1ccccc1 ZINC000922548710 643113703 /nfs/dbraw/zinc/11/37/03/643113703.db2.gz LOJVNRNXMLZCAH-QGZVFWFLSA-N 2 1 299.418 2.231 20 0 CEADMP CC1(C)OC[C@@H](CC[NH+]2CCC([NH+]3CCCCC3)CC2)O1 ZINC000851728348 643130130 /nfs/dbraw/zinc/13/01/30/643130130.db2.gz MTWGDTQRIBNFHU-MRXNPFEDSA-N 2 1 296.455 2.478 20 0 CEADMP C[NH+](C)CC[C@H]([NH2+]C[C@H]1CCSC1)c1cccnc1 ZINC000922633944 643172962 /nfs/dbraw/zinc/17/29/62/643172962.db2.gz VLSDNHCCDSRJGH-HIFRSBDPSA-N 2 1 279.453 2.417 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2COC(C)(C)O2)[C@H](C)C1 ZINC000851846552 643189068 /nfs/dbraw/zinc/18/90/68/643189068.db2.gz AZHGKFKDSPTDGA-ILXRZTDVSA-N 2 1 284.444 2.190 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2COC(C)(C)O2)[C@H](C)C1 ZINC000851846552 643189072 /nfs/dbraw/zinc/18/90/72/643189072.db2.gz AZHGKFKDSPTDGA-ILXRZTDVSA-N 2 1 284.444 2.190 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2COC(C)(C)O2)[C@H](C)C1 ZINC000851846552 643189078 /nfs/dbraw/zinc/18/90/78/643189078.db2.gz AZHGKFKDSPTDGA-ILXRZTDVSA-N 2 1 284.444 2.190 20 0 CEADMP CCO[C@@H](C[NH2+]C1CCC(F)(F)CC1)C[NH+](C)C ZINC000922753493 643243377 /nfs/dbraw/zinc/24/33/77/643243377.db2.gz GYWFQNGHSGVOAQ-LBPRGKRZSA-N 2 1 264.360 2.121 20 0 CEADMP CCO[C@@H](C[NH2+]C1CCC2(CC2)CC1)C[NH+](C)C ZINC000922753055 643243889 /nfs/dbraw/zinc/24/38/89/643243889.db2.gz BUFVBLCMUXAOKI-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP CN(C)[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(F)(F)F ZINC000922755060 643245448 /nfs/dbraw/zinc/24/54/48/643245448.db2.gz RMOUWMSAUGQFPU-FRRDWIJNSA-N 2 1 293.377 2.085 20 0 CEADMP COCC[N@@H+](Cc1nc(C)cs1)CC1CC[NH+](C)CC1 ZINC000877665362 650840613 /nfs/dbraw/zinc/84/06/13/650840613.db2.gz SKIQWEUVKWDJCP-UHFFFAOYSA-N 2 1 297.468 2.242 20 0 CEADMP COCC[N@H+](Cc1nc(C)cs1)CC1CC[NH+](C)CC1 ZINC000877665362 650840614 /nfs/dbraw/zinc/84/06/14/650840614.db2.gz SKIQWEUVKWDJCP-UHFFFAOYSA-N 2 1 297.468 2.242 20 0 CEADMP Cc1ccc(NCC[NH2+]Cc2c[nH+]ccc2N(C)C)nc1 ZINC000922924649 643455052 /nfs/dbraw/zinc/45/50/52/643455052.db2.gz GUWUGUSPYFTLGG-UHFFFAOYSA-N 2 1 285.395 2.053 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CCCCC1 ZINC000852751306 643536681 /nfs/dbraw/zinc/53/66/81/643536681.db2.gz WTVCBHLJENGWJI-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CCCCC1 ZINC000852751306 643536687 /nfs/dbraw/zinc/53/66/87/643536687.db2.gz WTVCBHLJENGWJI-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@H+](C2CC(OC(C)(C)C)C2)CCO1 ZINC000852762663 643541604 /nfs/dbraw/zinc/54/16/04/643541604.db2.gz SLXXWZSCZOTOGH-PCKAHOCUSA-N 2 1 298.471 2.375 20 0 CEADMP CC(C)(C)c1nc(C[NH+]2CCC(C[NH3+])CC2)co1 ZINC000923277229 643632430 /nfs/dbraw/zinc/63/24/30/643632430.db2.gz MWTAFBAYKXJLEZ-UHFFFAOYSA-N 2 1 251.374 2.143 20 0 CEADMP C[C@@H](N)[C@@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923279316 643636398 /nfs/dbraw/zinc/63/63/98/643636398.db2.gz KPYSCONSIFVLSX-SDKNFDLMSA-N 2 1 265.445 2.109 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923279316 643636401 /nfs/dbraw/zinc/63/64/01/643636401.db2.gz KPYSCONSIFVLSX-SDKNFDLMSA-N 2 1 265.445 2.109 20 0 CEADMP Cn1nc(C(F)(F)F)cc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000923294069 643646000 /nfs/dbraw/zinc/64/60/00/643646000.db2.gz FRURIWPSUYFXBY-UHFFFAOYSA-N 2 1 290.333 2.141 20 0 CEADMP COc1cncc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853092551 643650197 /nfs/dbraw/zinc/65/01/97/643650197.db2.gz ADSJWLXFSDGMOC-OAHLLOKOSA-N 2 1 289.423 2.302 20 0 CEADMP COc1cncc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853092551 643650200 /nfs/dbraw/zinc/65/02/00/643650200.db2.gz ADSJWLXFSDGMOC-OAHLLOKOSA-N 2 1 289.423 2.302 20 0 CEADMP c1cc([C@H]2CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)cs1 ZINC000923303353 643650242 /nfs/dbraw/zinc/65/02/42/643650242.db2.gz CJBNEXPPJBIFNV-ZIAGYGMSSA-N 2 1 278.421 2.264 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923311823 643658959 /nfs/dbraw/zinc/65/89/59/643658959.db2.gz YEOSPAZFNKLNEN-GZBFAFLISA-N 2 1 266.429 2.264 20 0 CEADMP c1ccc(N2CCC[N@H+](CCC[NH2+]C3CC3)CC2)cc1 ZINC000923322554 643662536 /nfs/dbraw/zinc/66/25/36/643662536.db2.gz PEUPFFCZBLDYPB-UHFFFAOYSA-N 2 1 273.424 2.341 20 0 CEADMP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923322685 643662596 /nfs/dbraw/zinc/66/25/96/643662596.db2.gz MWJSJYPEHRTUFL-AAEUAGOBSA-N 2 1 295.452 2.131 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000923349863 643673228 /nfs/dbraw/zinc/67/32/28/643673228.db2.gz XNQFWAKAXWVTKY-ABAIWWIYSA-N 2 1 284.350 2.059 20 0 CEADMP CC[C@H]1C[N@@H+](CCc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000923344205 643675258 /nfs/dbraw/zinc/67/52/58/643675258.db2.gz DVLUGVQSKNMHSG-DZGCQCFKSA-N 2 1 250.361 2.427 20 0 CEADMP C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000923343370 643675431 /nfs/dbraw/zinc/67/54/31/643675431.db2.gz AIIOKCBTEMZCDS-USXIJHARSA-N 2 1 276.424 2.039 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C)cc2)CC[C@@H]1[NH3+] ZINC000923342942 643675441 /nfs/dbraw/zinc/67/54/41/643675441.db2.gz AAQUHJNKWQTHSD-KBMXLJTQSA-N 2 1 262.397 2.088 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923363415 643679241 /nfs/dbraw/zinc/67/92/41/643679241.db2.gz XBJUZGUXVXQDDU-VFGIFXOCSA-N 3 1 291.483 2.229 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000923363540 643679643 /nfs/dbraw/zinc/67/96/43/643679643.db2.gz ZWMJDMAWNJLHLH-STQMWFEESA-N 2 1 263.385 2.059 20 0 CEADMP CC(C)CC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000923366047 643680685 /nfs/dbraw/zinc/68/06/85/643680685.db2.gz YUYGPGGKZPSMJF-HRCADAONSA-N 2 1 268.445 2.390 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000923366047 643680687 /nfs/dbraw/zinc/68/06/87/643680687.db2.gz YUYGPGGKZPSMJF-HRCADAONSA-N 2 1 268.445 2.390 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923363146 643684266 /nfs/dbraw/zinc/68/42/66/643684266.db2.gz VMHGSPNEEGAZST-JYJNAYRXSA-N 2 1 268.445 2.105 20 0 CEADMP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1c(C)noc1C ZINC000923379945 643687141 /nfs/dbraw/zinc/68/71/41/643687141.db2.gz RZLGXETUBMGELK-ZDUSSCGKSA-N 2 1 251.374 2.474 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)[C@@H]1CC[NH3+] ZINC000923385355 643691449 /nfs/dbraw/zinc/69/14/49/643691449.db2.gz ADLDXSKAEUJSLU-WQVCFCJDSA-N 2 1 280.387 2.308 20 0 CEADMP CC1(C)c2ccccc2CC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923423041 643702625 /nfs/dbraw/zinc/70/26/25/643702625.db2.gz UUQURHSHAARSML-OAHLLOKOSA-N 2 1 286.419 2.158 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@H](O)c1ccc(F)cc1 ZINC000923424004 643704314 /nfs/dbraw/zinc/70/43/14/643704314.db2.gz DWCCVVZKNCGFRS-HNNXBMFYSA-N 2 1 268.376 2.310 20 0 CEADMP O[C@@H](CC1CCCC1)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426408 643706093 /nfs/dbraw/zinc/70/60/93/643706093.db2.gz CYEUJSMADFADMY-IRXDYDNUSA-N 2 1 280.456 2.393 20 0 CEADMP O[C@H](C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000923428298 643706987 /nfs/dbraw/zinc/70/69/87/643706987.db2.gz OIJIJFPMOMSESC-IAGOWNOFSA-N 2 1 274.408 2.186 20 0 CEADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000923481981 643732057 /nfs/dbraw/zinc/73/20/57/643732057.db2.gz VTSISAIJAUVTON-NSHDSACASA-N 2 1 296.798 2.297 20 0 CEADMP C[C@H]1C[N@@H+](CCN(C)c2ccccc2)CC[C@@H]1C[NH3+] ZINC000923496544 643735313 /nfs/dbraw/zinc/73/53/13/643735313.db2.gz AOGSJBIJOXSLCR-LSDHHAIUSA-N 2 1 261.413 2.040 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)CC[C@@H]1C[NH3+] ZINC000923491095 643736004 /nfs/dbraw/zinc/73/60/04/643736004.db2.gz QRJMYIRCPWFPLQ-MCIONIFRSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ncccc2Cl)CC[C@H]1C[NH3+] ZINC000923491079 643736291 /nfs/dbraw/zinc/73/62/91/643736291.db2.gz QQBNOKQSPOEKQL-MNOVXSKESA-N 2 1 253.777 2.152 20 0 CEADMP CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923493894 643738636 /nfs/dbraw/zinc/73/86/36/643738636.db2.gz WQOUULMDZRYAHH-AWEZNQCLSA-N 2 1 289.423 2.167 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923494197 643738790 /nfs/dbraw/zinc/73/87/90/643738790.db2.gz WGUMAOWCWUOTES-ZNMIVQPWSA-N 2 1 256.434 2.234 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)CO2)CC[C@@H]1C[NH3+] ZINC000923494595 643738806 /nfs/dbraw/zinc/73/88/06/643738806.db2.gz ZALHDLXHPIMDIK-KFWWJZLASA-N 2 1 266.429 2.252 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccnc(Cl)c2)CC[C@@H]1C[NH3+] ZINC000923497799 643739472 /nfs/dbraw/zinc/73/94/72/643739472.db2.gz FSVCKTASYLKKBH-CMPLNLGQSA-N 2 1 253.777 2.152 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(-c3ccco3)on2)CC[C@H]1C[NH3+] ZINC000923499171 643741193 /nfs/dbraw/zinc/74/11/93/643741193.db2.gz KTPAGFNWJGZQNZ-RYUDHWBXSA-N 2 1 275.352 2.351 20 0 CEADMP CCCCc1noc([C@H](C)[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923501421 643742351 /nfs/dbraw/zinc/74/23/51/643742351.db2.gz UDUSQJNBJWVGBU-RWMBFGLXSA-N 2 1 280.416 2.390 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000923555219 643760908 /nfs/dbraw/zinc/76/09/08/643760908.db2.gz RLYIMQTUNSODFZ-INIZCTEOSA-N 2 1 266.429 2.267 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CCSCC3)CC[C@@H]21 ZINC000877739825 650882918 /nfs/dbraw/zinc/88/29/18/650882918.db2.gz HKFNGXBSNXJJCM-KGLIPLIRSA-N 2 1 254.443 2.156 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CCSCC3)CC[C@@H]21 ZINC000877739825 650882921 /nfs/dbraw/zinc/88/29/21/650882921.db2.gz HKFNGXBSNXJJCM-KGLIPLIRSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CCSCC3)CC[C@@H]21 ZINC000877739825 650882923 /nfs/dbraw/zinc/88/29/23/650882923.db2.gz HKFNGXBSNXJJCM-KGLIPLIRSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CCSCC3)CC[C@@H]21 ZINC000877739825 650882926 /nfs/dbraw/zinc/88/29/26/650882926.db2.gz HKFNGXBSNXJJCM-KGLIPLIRSA-N 2 1 254.443 2.156 20 0 CEADMP CC[N@@H+](CCc1cncn1C)C[C@H](O)c1ccc(C)cc1 ZINC000838858659 644051781 /nfs/dbraw/zinc/05/17/81/644051781.db2.gz ASMKAFZMASMUEE-KRWDZBQOSA-N 2 1 287.407 2.327 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000838938274 644093491 /nfs/dbraw/zinc/09/34/91/644093491.db2.gz ASKZBVGUNUQSOQ-XSLAGTTESA-N 2 1 286.419 2.243 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000838938274 644093501 /nfs/dbraw/zinc/09/35/01/644093501.db2.gz ASKZBVGUNUQSOQ-XSLAGTTESA-N 2 1 286.419 2.243 20 0 CEADMP Cc1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c(C)o1 ZINC000877747592 650892837 /nfs/dbraw/zinc/89/28/37/650892837.db2.gz SMRNJUXJBPCVHI-UHFFFAOYSA-N 2 1 291.439 2.108 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC2OCCCO2)CC1 ZINC000754642720 644405922 /nfs/dbraw/zinc/40/59/22/644405922.db2.gz YRBAUIYCNPIHFL-UHFFFAOYSA-N 2 1 284.444 2.192 20 0 CEADMP CC[N@@H+](CCNc1cc(C)[nH+]c(N)n1)CCC(F)(F)F ZINC000755039930 644464142 /nfs/dbraw/zinc/46/41/42/644464142.db2.gz HCBLKJDOXITVDS-UHFFFAOYSA-N 2 1 291.321 2.053 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000757044761 644723567 /nfs/dbraw/zinc/72/35/67/644723567.db2.gz ZGJQBAGCEZZQIB-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000757044761 644723570 /nfs/dbraw/zinc/72/35/70/644723570.db2.gz ZGJQBAGCEZZQIB-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000757044761 644723574 /nfs/dbraw/zinc/72/35/74/644723574.db2.gz ZGJQBAGCEZZQIB-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP COc1ccc(C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1F ZINC000843060000 644790923 /nfs/dbraw/zinc/79/09/23/644790923.db2.gz AIRYYFMNNUIKQL-HNNXBMFYSA-N 2 1 266.360 2.266 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1F ZINC000843060000 644790927 /nfs/dbraw/zinc/79/09/27/644790927.db2.gz AIRYYFMNNUIKQL-HNNXBMFYSA-N 2 1 266.360 2.266 20 0 CEADMP Cc1[nH+]ccn1CCCN(C)Cc1cn(C)nc1Cl ZINC000857047315 644799881 /nfs/dbraw/zinc/79/98/81/644799881.db2.gz ZDAKHULSMHCELQ-UHFFFAOYSA-N 2 1 281.791 2.101 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2ccc(C)cc2)C1 ZINC000011888947 644948891 /nfs/dbraw/zinc/94/88/91/644948891.db2.gz ARWGZTYADNQVRX-HNNXBMFYSA-N 2 1 262.397 2.305 20 0 CEADMP CC(C)c1nn(C)c(Cl)c1C[NH2+]CCc1c[nH+]cn1C ZINC000857783186 644968051 /nfs/dbraw/zinc/96/80/51/644968051.db2.gz YAUYZHWARGHPOW-UHFFFAOYSA-N 2 1 295.818 2.263 20 0 CEADMP C[C@@H](O)c1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)s1 ZINC000858245292 645097373 /nfs/dbraw/zinc/09/73/73/645097373.db2.gz GKZBCWAMKBWZHT-NEPJUHHUSA-N 2 1 283.441 2.018 20 0 CEADMP C[C@@H](O)c1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000858245292 645097379 /nfs/dbraw/zinc/09/73/79/645097379.db2.gz GKZBCWAMKBWZHT-NEPJUHHUSA-N 2 1 283.441 2.018 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000858245492 645097964 /nfs/dbraw/zinc/09/79/64/645097964.db2.gz KALSARVQXZZCFD-JTQLQIEISA-N 2 1 290.333 2.250 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000858245492 645097966 /nfs/dbraw/zinc/09/79/66/645097966.db2.gz KALSARVQXZZCFD-JTQLQIEISA-N 2 1 290.333 2.250 20 0 CEADMP C[N@@H+](C[C@H]1CC2(CCC2)CO1)C[C@@H]1CCC[NH+](C)C1 ZINC000878126202 651007699 /nfs/dbraw/zinc/00/76/99/651007699.db2.gz UORHFFHOCNZPMX-HUUCEWRRSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](C[C@H]1CC2(CCC2)CO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000878126202 651007702 /nfs/dbraw/zinc/00/77/02/651007702.db2.gz UORHFFHOCNZPMX-HUUCEWRRSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](C[C@H]1CC2(CCC2)CO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878126202 651007704 /nfs/dbraw/zinc/00/77/04/651007704.db2.gz UORHFFHOCNZPMX-HUUCEWRRSA-N 2 1 266.429 2.219 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H](OC)C2)[C@@H](C)C1 ZINC000878257304 651046832 /nfs/dbraw/zinc/04/68/32/651046832.db2.gz GJGMXEBJRNYPBH-BYNSBNAKSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H]2C[C@@H](OC)C2)[C@@H](C)C1 ZINC000878257304 651046834 /nfs/dbraw/zinc/04/68/34/651046834.db2.gz GJGMXEBJRNYPBH-BYNSBNAKSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H](OC)C2)[C@@H](C)C1 ZINC000878257304 651046836 /nfs/dbraw/zinc/04/68/36/651046836.db2.gz GJGMXEBJRNYPBH-BYNSBNAKSA-N 2 1 254.418 2.074 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2OC)[C@@H](C)C1 ZINC000765428821 645767742 /nfs/dbraw/zinc/76/77/42/645767742.db2.gz WOFUHAOJMKUBKA-NXOAAHMSSA-N 2 1 298.471 2.281 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2COc3c(cccc3OC)C2)CC1 ZINC000765701537 645800698 /nfs/dbraw/zinc/80/06/98/645800698.db2.gz BCYOGKLGQHOKFF-OAHLLOKOSA-N 2 1 290.407 2.073 20 0 CEADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000765768786 645806325 /nfs/dbraw/zinc/80/63/25/645806325.db2.gz KFOQVWRUWAKBFZ-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCN(C)C2)CC1 ZINC000765768786 645806330 /nfs/dbraw/zinc/80/63/30/645806330.db2.gz KFOQVWRUWAKBFZ-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCOC1 ZINC000765973188 645829954 /nfs/dbraw/zinc/82/99/54/645829954.db2.gz DMIDPSYHOCPFTG-UAGQMJEPSA-N 2 1 296.455 2.035 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)C2CC2)C1 ZINC000767415721 645989011 /nfs/dbraw/zinc/98/90/11/645989011.db2.gz PFNHNLWXDNJLED-CYBMUJFWSA-N 2 1 252.402 2.019 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)C2CC2)C1 ZINC000767415721 645989013 /nfs/dbraw/zinc/98/90/13/645989013.db2.gz PFNHNLWXDNJLED-CYBMUJFWSA-N 2 1 252.402 2.019 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)C2CC2)C1 ZINC000767415721 645989017 /nfs/dbraw/zinc/98/90/17/645989017.db2.gz PFNHNLWXDNJLED-CYBMUJFWSA-N 2 1 252.402 2.019 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)C2CC2)C1 ZINC000767415721 645989018 /nfs/dbraw/zinc/98/90/18/645989018.db2.gz PFNHNLWXDNJLED-CYBMUJFWSA-N 2 1 252.402 2.019 20 0 CEADMP Cc1nccn1CCCOC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000767642107 646016909 /nfs/dbraw/zinc/01/69/09/646016909.db2.gz ITPOVTKPDROCQS-MJBXVCDLSA-N 2 1 293.411 2.386 20 0 CEADMP Cc1[nH+]ccn1CCCOC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000767642107 646016924 /nfs/dbraw/zinc/01/69/24/646016924.db2.gz ITPOVTKPDROCQS-MJBXVCDLSA-N 2 1 293.411 2.386 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccncc1 ZINC000768402534 646120391 /nfs/dbraw/zinc/12/03/91/646120391.db2.gz LIWXPTOWQYNSFQ-WMLDXEAASA-N 2 1 289.423 2.376 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCn1cc[nH+]c1C(C)C ZINC000772985920 646692698 /nfs/dbraw/zinc/69/26/98/646692698.db2.gz UVXGISMSBFUBAV-CYBMUJFWSA-N 2 1 294.443 2.289 20 0 CEADMP c1ccc([C@@H]2C[C@H]3C[N@H+](C[C@H]4CC[NH2+]C4)C[C@H]32)cc1 ZINC000863557874 646756118 /nfs/dbraw/zinc/75/61/18/646756118.db2.gz RKXKOUVGVDKFDW-QSPRXWTASA-N 2 1 256.393 2.331 20 0 CEADMP Cc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(C)o1 ZINC000119531524 646762889 /nfs/dbraw/zinc/76/28/89/646762889.db2.gz IRFBQBAFKSFOBU-UHFFFAOYSA-N 2 1 291.439 2.110 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000774160780 646811689 /nfs/dbraw/zinc/81/16/89/646811689.db2.gz BAVHQORUYXVMHY-CADBVGFASA-N 2 1 299.462 2.476 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000774160780 646811694 /nfs/dbraw/zinc/81/16/94/646811694.db2.gz BAVHQORUYXVMHY-CADBVGFASA-N 2 1 299.462 2.476 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000774160780 646811701 /nfs/dbraw/zinc/81/17/01/646811701.db2.gz BAVHQORUYXVMHY-CADBVGFASA-N 2 1 299.462 2.476 20 0 CEADMP CN1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000774160780 646811712 /nfs/dbraw/zinc/81/17/12/646811712.db2.gz BAVHQORUYXVMHY-CADBVGFASA-N 2 1 299.462 2.476 20 0 CEADMP CN1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000774160780 646811716 /nfs/dbraw/zinc/81/17/16/646811716.db2.gz BAVHQORUYXVMHY-CADBVGFASA-N 2 1 299.462 2.476 20 0 CEADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(C=O)CC2)C1 ZINC000774176890 646813868 /nfs/dbraw/zinc/81/38/68/646813868.db2.gz CAGRJBXXCNEGDT-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(C=O)CC2)C1 ZINC000774176890 646813875 /nfs/dbraw/zinc/81/38/75/646813875.db2.gz CAGRJBXXCNEGDT-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1noc(C)c1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774217078 646820480 /nfs/dbraw/zinc/82/04/80/646820480.db2.gz JLFYSCKDAVCARU-GOOCMWNKSA-N 2 1 277.412 2.439 20 0 CEADMP CO[C@H]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774269731 646827819 /nfs/dbraw/zinc/82/78/19/646827819.db2.gz BBQINZSSMGSPHQ-OIYCOIKZSA-N 2 1 252.402 2.016 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)ncn3C)[C@@H](C)C1 ZINC000774816508 646898697 /nfs/dbraw/zinc/89/86/97/646898697.db2.gz PQIYSDNREYRUEM-ZFWWWQNUSA-N 2 1 286.423 2.393 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccnc(N(C)C)c1 ZINC000782176600 647595814 /nfs/dbraw/zinc/59/58/14/647595814.db2.gz OUDZZQBDGMUFBA-MRXNPFEDSA-N 2 1 290.455 2.454 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000782183333 647597593 /nfs/dbraw/zinc/59/75/93/647597593.db2.gz KEYCQUYZCUONEE-GOEBONIOSA-N 3 1 267.461 2.133 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000782183333 647597594 /nfs/dbraw/zinc/59/75/94/647597594.db2.gz KEYCQUYZCUONEE-GOEBONIOSA-N 3 1 267.461 2.133 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000782183333 647597596 /nfs/dbraw/zinc/59/75/96/647597596.db2.gz KEYCQUYZCUONEE-GOEBONIOSA-N 3 1 267.461 2.133 20 0 CEADMP CCN1CC[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000782183333 647597598 /nfs/dbraw/zinc/59/75/98/647597598.db2.gz KEYCQUYZCUONEE-GOEBONIOSA-N 2 1 267.461 2.133 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000782183333 647597599 /nfs/dbraw/zinc/59/75/99/647597599.db2.gz KEYCQUYZCUONEE-GOEBONIOSA-N 2 1 267.461 2.133 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000866250881 647695426 /nfs/dbraw/zinc/69/54/26/647695426.db2.gz JLDUAVRKVYOAGD-HUUCEWRRSA-N 2 1 263.385 2.129 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3c([nH]c2=O)CCCC3)CC[N@@H+]1C ZINC000866641052 647852530 /nfs/dbraw/zinc/85/25/30/647852530.db2.gz MYDYAFIQMARUPG-IUODEOHRSA-N 2 1 289.423 2.238 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3c([nH]c2=O)CCCC3)CC[N@H+]1C ZINC000866641052 647852531 /nfs/dbraw/zinc/85/25/31/647852531.db2.gz MYDYAFIQMARUPG-IUODEOHRSA-N 2 1 289.423 2.238 20 0 CEADMP Cc1ccc([C@H]2CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000784478383 647854798 /nfs/dbraw/zinc/85/47/98/647854798.db2.gz UPXZWUJZBNXKFG-ZWKOTPCHSA-N 2 1 288.435 2.241 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000866666236 647861573 /nfs/dbraw/zinc/86/15/73/647861573.db2.gz NUYUVBFLAAVXHQ-MQYQWHSLSA-N 2 1 254.418 2.168 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000866666237 647861925 /nfs/dbraw/zinc/86/19/25/647861925.db2.gz NUYUVBFLAAVXHQ-SYQHCUMBSA-N 2 1 254.418 2.168 20 0 CEADMP CC(=O)Nc1cccc2c1C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000866684278 647868334 /nfs/dbraw/zinc/86/83/34/647868334.db2.gz KVWNQWBUGMMZKX-CQSZACIVSA-N 2 1 287.407 2.003 20 0 CEADMP CC(=O)Nc1cccc2c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000866684278 647868337 /nfs/dbraw/zinc/86/83/37/647868337.db2.gz KVWNQWBUGMMZKX-CQSZACIVSA-N 2 1 287.407 2.003 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866696890 647872495 /nfs/dbraw/zinc/87/24/95/647872495.db2.gz AXEOORYWCIDBEW-INIZCTEOSA-N 2 1 266.429 2.410 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000866699073 647873306 /nfs/dbraw/zinc/87/33/06/647873306.db2.gz HTEWVXMDQUGEFI-UHFFFAOYSA-N 2 1 284.407 2.446 20 0 CEADMP C[C@@H]1C[N@H+](CCN2c3ccccc3[C@@H]([NH3+])C2(C)C)CCO1 ZINC000866701531 647873883 /nfs/dbraw/zinc/87/38/83/647873883.db2.gz LONOUZMJXZAIPH-CZUORRHYSA-N 2 1 289.423 2.006 20 0 CEADMP C[C@@H]1C[N@@H+](CCN2c3ccccc3[C@@H]([NH3+])C2(C)C)CCO1 ZINC000866701531 647873888 /nfs/dbraw/zinc/87/38/88/647873888.db2.gz LONOUZMJXZAIPH-CZUORRHYSA-N 2 1 289.423 2.006 20 0 CEADMP C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703879 647875555 /nfs/dbraw/zinc/87/55/55/647875555.db2.gz PSDRTTCJPMDAEE-RHSMWYFYSA-N 2 1 295.471 2.084 20 0 CEADMP CCCCCNC(=O)[C@@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703494 647875952 /nfs/dbraw/zinc/87/59/52/647875952.db2.gz IDNGJCPROHSFEZ-RHSMWYFYSA-N 2 1 297.487 2.378 20 0 CEADMP COc1ccccc1[C@H]1CCC[N@@H+](CCOCC[NH3+])CC1 ZINC000866717582 647880106 /nfs/dbraw/zinc/88/01/06/647880106.db2.gz JIWPNNPUZQBYHG-HNNXBMFYSA-N 2 1 292.423 2.240 20 0 CEADMP Fc1cccc(OCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000866715543 647880291 /nfs/dbraw/zinc/88/02/91/647880291.db2.gz CRIZEMVQVHBHPG-CJNGLKHVSA-N 2 1 278.371 2.278 20 0 CEADMP Fc1cccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000866715543 647880296 /nfs/dbraw/zinc/88/02/96/647880296.db2.gz CRIZEMVQVHBHPG-CJNGLKHVSA-N 2 1 278.371 2.278 20 0 CEADMP Fc1cccc(OCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000866715548 647880531 /nfs/dbraw/zinc/88/05/31/647880531.db2.gz CRIZEMVQVHBHPG-XJKSGUPXSA-N 2 1 278.371 2.278 20 0 CEADMP Fc1cccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000866715548 647880532 /nfs/dbraw/zinc/88/05/32/647880532.db2.gz CRIZEMVQVHBHPG-XJKSGUPXSA-N 2 1 278.371 2.278 20 0 CEADMP C[C@H](C[N@@H+](C)CC1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000785452125 647929151 /nfs/dbraw/zinc/92/91/51/647929151.db2.gz BXYGELZWPSKVKY-CYBMUJFWSA-N 2 1 299.459 2.173 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C(C)(C)C1CCOCC1 ZINC000785606958 647940572 /nfs/dbraw/zinc/94/05/72/647940572.db2.gz MYLKEVLIPLGQRK-UHFFFAOYSA-N 2 1 277.412 2.442 20 0 CEADMP CCOC(=O)C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000792194663 648622965 /nfs/dbraw/zinc/62/29/65/648622965.db2.gz FJIWVQKJMLOBEO-LSDHHAIUSA-N 2 1 294.439 2.326 20 0 CEADMP CC1(C)CC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000793544647 648774117 /nfs/dbraw/zinc/77/41/17/648774117.db2.gz YUYSVDWBTHRIGI-HUUCEWRRSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)CC1)[NH+](CC)CC ZINC000871153970 649015594 /nfs/dbraw/zinc/01/55/94/649015594.db2.gz PNXXWJSEYMFQDX-AWEZNQCLSA-N 2 1 283.460 2.050 20 0 CEADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)C1CC1 ZINC000872025797 649244651 /nfs/dbraw/zinc/24/46/51/649244651.db2.gz TYFBWGOADSIXMF-CABCVRRESA-N 2 1 266.429 2.408 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1)C1CC1 ZINC000872141894 649291616 /nfs/dbraw/zinc/29/16/16/649291616.db2.gz YPCNHFTXMLLJQQ-MRXNPFEDSA-N 2 1 278.440 2.410 20 0 CEADMP C([C@H]1CC2(CCC2)CO1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000872144590 649294723 /nfs/dbraw/zinc/29/47/23/649294723.db2.gz ZYNLRPRXQGPIPJ-CQSZACIVSA-N 2 1 264.413 2.021 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000872153516 649297320 /nfs/dbraw/zinc/29/73/20/649297320.db2.gz DNXCCPHPOPXTKL-WOPDTQHZSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCOCCc1ccccc1)C2 ZINC000872154291 649298199 /nfs/dbraw/zinc/29/81/99/649298199.db2.gz UQSWPNWKGVRRGR-ZWKOTPCHSA-N 2 1 288.435 2.177 20 0 CEADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H](C(F)(F)F)O1 ZINC000872154010 649298679 /nfs/dbraw/zinc/29/86/79/649298679.db2.gz LPJSJYOHMABJAB-YPMHNXCESA-N 2 1 294.361 2.418 20 0 CEADMP CN1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000872157836 649300629 /nfs/dbraw/zinc/30/06/29/649300629.db2.gz RSOMMRPMVMHFAC-MSOLQXFVSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000872157836 649300632 /nfs/dbraw/zinc/30/06/32/649300632.db2.gz RSOMMRPMVMHFAC-MSOLQXFVSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000872157836 649300635 /nfs/dbraw/zinc/30/06/35/649300635.db2.gz RSOMMRPMVMHFAC-MSOLQXFVSA-N 2 1 285.435 2.001 20 0 CEADMP CC(C)OC[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000872205629 649315522 /nfs/dbraw/zinc/31/55/22/649315522.db2.gz KUJFBSPSLFQUDO-ZOBUZTSGSA-N 2 1 298.471 2.015 20 0 CEADMP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]cc2C2CC2)CCCO1 ZINC000872522089 649412720 /nfs/dbraw/zinc/41/27/20/649412720.db2.gz HYQMIKJLCOXHHQ-CQSZACIVSA-N 2 1 289.423 2.294 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]cc3C3CC3)CC[C@H]21 ZINC000872626064 649443840 /nfs/dbraw/zinc/44/38/40/649443840.db2.gz MCFSXYQYADJKNQ-UKRRQHHQSA-N 2 1 257.381 2.489 20 0 CEADMP CC[N@H+]1C[C@H](C)N(Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1C ZINC000873208441 649589992 /nfs/dbraw/zinc/58/99/92/649589992.db2.gz NPCXNGTVOVVMPM-OLZOCXBDSA-N 2 1 293.480 2.308 20 0 CEADMP CCN1C[C@H](C)[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1C ZINC000873208441 649589996 /nfs/dbraw/zinc/58/99/96/649589996.db2.gz NPCXNGTVOVVMPM-OLZOCXBDSA-N 2 1 293.480 2.308 20 0 CEADMP CCN1C[C@H](C)[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1C ZINC000873208441 649589998 /nfs/dbraw/zinc/58/99/98/649589998.db2.gz NPCXNGTVOVVMPM-OLZOCXBDSA-N 2 1 293.480 2.308 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC(C)(C)C[NH2+]2)[C@H]2CCC[C@H]21 ZINC000873236718 649604880 /nfs/dbraw/zinc/60/48/80/649604880.db2.gz IZBSFKRCFGWJJO-XUWVNRHRSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254653 649611654 /nfs/dbraw/zinc/61/16/54/649611654.db2.gz ZWTRDPLNUNLCQI-DZJNRPSUSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254653 649611657 /nfs/dbraw/zinc/61/16/57/649611657.db2.gz ZWTRDPLNUNLCQI-DZJNRPSUSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1noc2cc(F)ccc12 ZINC000873276774 649622102 /nfs/dbraw/zinc/62/21/02/649622102.db2.gz WVUQNEMNWLNPSF-ZWNOBZJWSA-N 2 1 277.343 2.445 20 0 CEADMP C[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1c[nH+]ccc1N ZINC000873282206 649624653 /nfs/dbraw/zinc/62/46/53/649624653.db2.gz GKILFNPZKUFIDW-SSDOTTSWSA-N 2 1 299.243 2.316 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2cc(N)cc(F)c2)CC1 ZINC000873288033 649627504 /nfs/dbraw/zinc/62/75/04/649627504.db2.gz SDJIKQIRTNUTAZ-UHFFFAOYSA-N 2 1 265.376 2.372 20 0 CEADMP Clc1cccc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000020073057 649722592 /nfs/dbraw/zinc/72/25/92/649722592.db2.gz QHEDOBYDARZEDS-CQSZACIVSA-N 2 1 293.842 2.462 20 0 CEADMP COc1ccccc1OCC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000124970480 649767286 /nfs/dbraw/zinc/76/72/86/649767286.db2.gz WJJDHYDHHBTZKM-OAHLLOKOSA-N 2 1 292.423 2.490 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000124970480 649767288 /nfs/dbraw/zinc/76/72/88/649767288.db2.gz WJJDHYDHHBTZKM-OAHLLOKOSA-N 2 1 292.423 2.490 20 0 CEADMP COc1ccccc1OCC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000124970480 649767291 /nfs/dbraw/zinc/76/72/91/649767291.db2.gz WJJDHYDHHBTZKM-OAHLLOKOSA-N 2 1 292.423 2.490 20 0 CEADMP COc1ccccc1OCC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000124970480 649767294 /nfs/dbraw/zinc/76/72/94/649767294.db2.gz WJJDHYDHHBTZKM-OAHLLOKOSA-N 2 1 292.423 2.490 20 0 CEADMP CCOC(CN(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)OCC ZINC000125017494 649778167 /nfs/dbraw/zinc/77/81/67/649778167.db2.gz AWWWTXZEBMSOPM-ZIAGYGMSSA-N 2 1 272.433 2.048 20 0 CEADMP CCOC(C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C)OCC ZINC000125017494 649778171 /nfs/dbraw/zinc/77/81/71/649778171.db2.gz AWWWTXZEBMSOPM-ZIAGYGMSSA-N 2 1 272.433 2.048 20 0 CEADMP CCOC(C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)OCC ZINC000125017494 649778173 /nfs/dbraw/zinc/77/81/73/649778173.db2.gz AWWWTXZEBMSOPM-ZIAGYGMSSA-N 2 1 272.433 2.048 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1)C(C)(C)C ZINC000878865815 651200173 /nfs/dbraw/zinc/20/01/73/651200173.db2.gz NMYQCEXWJMXEFA-HIFRSBDPSA-N 2 1 256.434 2.057 20 0 CEADMP COCC[N@@H+](C[C@H]1CCC(C)(C)O1)CC1CC[NH+](C)CC1 ZINC000879126582 651247491 /nfs/dbraw/zinc/24/74/91/651247491.db2.gz JWWOLJRJJDQYMX-MRXNPFEDSA-N 2 1 298.471 2.234 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879564190 651322320 /nfs/dbraw/zinc/32/23/20/651322320.db2.gz XNAHPFAQFFKYPI-HZSPNIEDSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879564190 651322322 /nfs/dbraw/zinc/32/23/22/651322322.db2.gz XNAHPFAQFFKYPI-HZSPNIEDSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879564190 651322324 /nfs/dbraw/zinc/32/23/24/651322324.db2.gz XNAHPFAQFFKYPI-HZSPNIEDSA-N 2 1 254.443 2.156 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879566797 651323205 /nfs/dbraw/zinc/32/32/05/651323205.db2.gz YOSQYDYQKWQRKU-KGLIPLIRSA-N 2 1 256.459 2.403 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879566797 651323206 /nfs/dbraw/zinc/32/32/06/651323206.db2.gz YOSQYDYQKWQRKU-KGLIPLIRSA-N 2 1 256.459 2.403 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOCc3ccccc3)CC[C@@H]21 ZINC000879579718 651325540 /nfs/dbraw/zinc/32/55/40/651325540.db2.gz ORPGDHCBQPACBO-SJORKVTESA-N 2 1 274.408 2.229 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCOCc3ccccc3)CC[C@@H]21 ZINC000879579718 651325542 /nfs/dbraw/zinc/32/55/42/651325542.db2.gz ORPGDHCBQPACBO-SJORKVTESA-N 2 1 274.408 2.229 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCOCc3ccccc3)CC[C@@H]21 ZINC000879579718 651325548 /nfs/dbraw/zinc/32/55/48/651325548.db2.gz ORPGDHCBQPACBO-SJORKVTESA-N 2 1 274.408 2.229 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOCc3ccccc3)CC[C@@H]21 ZINC000879579718 651325550 /nfs/dbraw/zinc/32/55/50/651325550.db2.gz ORPGDHCBQPACBO-SJORKVTESA-N 2 1 274.408 2.229 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582317 651327281 /nfs/dbraw/zinc/32/72/81/651327281.db2.gz RKYWLKGOMFBNKW-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582317 651327283 /nfs/dbraw/zinc/32/72/83/651327283.db2.gz RKYWLKGOMFBNKW-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879582317 651327286 /nfs/dbraw/zinc/32/72/86/651327286.db2.gz RKYWLKGOMFBNKW-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879582317 651327287 /nfs/dbraw/zinc/32/72/87/651327287.db2.gz RKYWLKGOMFBNKW-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP CC[C@H](C)C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203885 651400904 /nfs/dbraw/zinc/40/09/04/651400904.db2.gz OWUPLZZKYFDGRG-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H](C)C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203885 651400905 /nfs/dbraw/zinc/40/09/05/651400905.db2.gz OWUPLZZKYFDGRG-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)ccn1 ZINC000880258297 651411076 /nfs/dbraw/zinc/41/10/76/651411076.db2.gz FGWNOKIZQARPPG-OAHLLOKOSA-N 2 1 282.391 2.496 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)O1 ZINC000880260208 651412352 /nfs/dbraw/zinc/41/23/52/651412352.db2.gz NZWXFCWTBRHNNV-FMKPAKJESA-N 2 1 275.396 2.160 20 0 CEADMP C[C@H](CC[N@H+]1CC[C@H](CF)C1)[NH+]1CC[C@H](CF)C1 ZINC000880296634 651418484 /nfs/dbraw/zinc/41/84/84/651418484.db2.gz FLHUAJDKBJEKRO-MGPQQGTHSA-N 2 1 260.372 2.348 20 0 CEADMP C[C@H](CC[NH+]1CC[C@H](CF)C1)[N@@H+]1CC[C@H](CF)C1 ZINC000880296634 651418486 /nfs/dbraw/zinc/41/84/86/651418486.db2.gz FLHUAJDKBJEKRO-MGPQQGTHSA-N 2 1 260.372 2.348 20 0 CEADMP C[C@H](CC[NH+]1CC[C@H](CF)C1)[N@H+]1CC[C@H](CF)C1 ZINC000880296634 651418487 /nfs/dbraw/zinc/41/84/87/651418487.db2.gz FLHUAJDKBJEKRO-MGPQQGTHSA-N 2 1 260.372 2.348 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3(O)CCCCC3)CC[C@@H]21 ZINC000129156343 651834579 /nfs/dbraw/zinc/83/45/79/651834579.db2.gz RJZDTOXOTVXQGV-CABCVRRESA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3(O)CCCCC3)CC[C@@H]21 ZINC000129156343 651834585 /nfs/dbraw/zinc/83/45/85/651834585.db2.gz RJZDTOXOTVXQGV-CABCVRRESA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(O)CCCCC3)CC[C@@H]21 ZINC000129156343 651834591 /nfs/dbraw/zinc/83/45/91/651834591.db2.gz RJZDTOXOTVXQGV-CABCVRRESA-N 2 1 266.429 2.098 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000882905187 652264236 /nfs/dbraw/zinc/26/42/36/652264236.db2.gz VWSMXNXCJHHYMB-UHFFFAOYSA-N 2 1 287.319 2.071 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000882915251 652268267 /nfs/dbraw/zinc/26/82/67/652268267.db2.gz LGJIXQDNSMZTGX-CYBMUJFWSA-N 2 1 290.363 2.208 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000882915251 652268268 /nfs/dbraw/zinc/26/82/68/652268268.db2.gz LGJIXQDNSMZTGX-CYBMUJFWSA-N 2 1 290.363 2.208 20 0 CEADMP CC1(C)CC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)OC1 ZINC000883249195 652414419 /nfs/dbraw/zinc/41/44/19/652414419.db2.gz XEYOYYKGSBBNGG-JKSUJKDBSA-N 2 1 296.455 2.035 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@]2(C)OCCc3ccccc32)CC1 ZINC000883339860 652436407 /nfs/dbraw/zinc/43/64/07/652436407.db2.gz CWMCLLASZVKKMN-KRWDZBQOSA-N 2 1 274.408 2.158 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CC[N@@H+]1C ZINC000883367953 652446708 /nfs/dbraw/zinc/44/67/08/652446708.db2.gz BOKICPLOISVZJL-YJNKXOJESA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CC[N@H+]1C ZINC000883367953 652446709 /nfs/dbraw/zinc/44/67/09/652446709.db2.gz BOKICPLOISVZJL-YJNKXOJESA-N 2 1 252.402 2.160 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)CC[C@@H]1[NH3+] ZINC000883427335 652465716 /nfs/dbraw/zinc/46/57/16/652465716.db2.gz OGSLAVJWTCJDON-PMPSAXMXSA-N 2 1 296.455 2.021 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000883435645 652468784 /nfs/dbraw/zinc/46/87/84/652468784.db2.gz YMJCSVCRKAMBSC-RRFJBIMHSA-N 2 1 293.411 2.152 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883439218 652470879 /nfs/dbraw/zinc/47/08/79/652470879.db2.gz LYKOCZAPWOHDKZ-HNNXBMFYSA-N 2 1 296.455 2.036 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883439218 652470882 /nfs/dbraw/zinc/47/08/82/652470882.db2.gz LYKOCZAPWOHDKZ-HNNXBMFYSA-N 2 1 296.455 2.036 20 0 CEADMP C[NH2+]CCC[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000883462001 652478120 /nfs/dbraw/zinc/47/81/20/652478120.db2.gz HVMSNCMBCJKUOE-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])C(C)C)C1 ZINC000884219521 652755955 /nfs/dbraw/zinc/75/59/55/652755955.db2.gz RAKBJHVTSOFPQA-HUUCEWRRSA-N 2 1 297.487 2.090 20 0 CEADMP Cc1[nH+]cc2n1CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164450732 718991484 /nfs/dbraw/zinc/99/14/84/718991484.db2.gz ZLPVDKOQGJCMDC-UHFFFAOYSA-N 2 1 297.406 2.201 20 0 CEADMP Cc1[nH+]cc2n1CCN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164450732 718991495 /nfs/dbraw/zinc/99/14/95/718991495.db2.gz ZLPVDKOQGJCMDC-UHFFFAOYSA-N 2 1 297.406 2.201 20 0 CEADMP C[C@@]1([NH3+])CC[N@H+](CCCCOCc2ccccc2)C1 ZINC001204763916 805752326 /nfs/dbraw/zinc/75/23/26/805752326.db2.gz SGHMTYYKZJRNNM-MRXNPFEDSA-N 2 1 262.397 2.407 20 0 CEADMP C[C@@]1([NH3+])CC[N@@H+](CCCCOCc2ccccc2)C1 ZINC001204763916 805752329 /nfs/dbraw/zinc/75/23/29/805752329.db2.gz SGHMTYYKZJRNNM-MRXNPFEDSA-N 2 1 262.397 2.407 20 0 CEADMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+]CCC(C)(C)C ZINC001271206809 805896344 /nfs/dbraw/zinc/89/63/44/805896344.db2.gz ICOKPRCIRYUYBX-ZDUSSCGKSA-N 2 1 294.443 2.064 20 0 CEADMP CCCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001271253497 805901928 /nfs/dbraw/zinc/90/19/28/805901928.db2.gz GPBDUBURVUSAPQ-GJZGRUSLSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001029800553 806078235 /nfs/dbraw/zinc/07/82/35/806078235.db2.gz UEONLFBZAJGDEF-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001168093170 806148195 /nfs/dbraw/zinc/14/81/95/806148195.db2.gz UOPKQQQVZOVUEJ-AIEDFZFUSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001168093170 806148201 /nfs/dbraw/zinc/14/82/01/806148201.db2.gz UOPKQQQVZOVUEJ-AIEDFZFUSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168101789 806165860 /nfs/dbraw/zinc/16/58/60/806165860.db2.gz MNCHPWRRCIIBPY-KCYZZUKISA-N 2 1 296.455 2.305 20 0 CEADMP CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001088381275 806173107 /nfs/dbraw/zinc/17/31/07/806173107.db2.gz ATNCYBNJFGZULU-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001168231552 806427804 /nfs/dbraw/zinc/42/78/04/806427804.db2.gz RBCGYSOAZYNCEL-CZUORRHYSA-N 2 1 274.408 2.094 20 0 CEADMP CCOC(=O)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C(C)C ZINC001168297517 806634822 /nfs/dbraw/zinc/63/48/22/806634822.db2.gz AIYSJFVRYVEOBL-RUXDESIVSA-N 2 1 270.417 2.037 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCO[C@@H](c3ccccn3)C2)CC1 ZINC001168327627 806656611 /nfs/dbraw/zinc/65/66/11/806656611.db2.gz PSYDQBSBGZWKCW-VMBOVVBDSA-N 2 1 289.423 2.328 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](CCO)Cc2cccs2)CC1 ZINC001168323244 806653938 /nfs/dbraw/zinc/65/39/38/806653938.db2.gz WFUJRRGTYXUMRI-UHFFFAOYSA-N 2 1 282.453 2.415 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@H]2c2ncccn2)CC1 ZINC001168329763 806659354 /nfs/dbraw/zinc/65/93/54/806659354.db2.gz HFMRKLBKPNMOMH-NRXISQOPSA-N 2 1 274.412 2.486 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127947172 806687645 /nfs/dbraw/zinc/68/76/45/806687645.db2.gz SCRXJASFXNLERZ-OWCLPIDISA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127947172 806687649 /nfs/dbraw/zinc/68/76/49/806687649.db2.gz SCRXJASFXNLERZ-OWCLPIDISA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127947172 806687651 /nfs/dbraw/zinc/68/76/51/806687651.db2.gz SCRXJASFXNLERZ-OWCLPIDISA-N 2 1 267.461 2.179 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000697909866 806755928 /nfs/dbraw/zinc/75/59/28/806755928.db2.gz QERAOVZNXNLZQV-LBPRGKRZSA-N 2 1 263.385 2.075 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@H]3CCC=CO3)C2)CC1 ZINC001208880845 802425835 /nfs/dbraw/zinc/42/58/35/802425835.db2.gz PNJOFJNDCDFYHP-CQSZACIVSA-N 2 1 250.386 2.097 20 0 CEADMP Cc1[nH+]c(N2CCc3[nH+]ccn3CC2)cc2[nH]ccc21 ZINC001167180604 802561142 /nfs/dbraw/zinc/56/11/42/802561142.db2.gz NPSJAGKUUJJAPK-UHFFFAOYSA-N 2 1 267.336 2.131 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2cnccc2Br)CC1 ZINC001205053098 809251157 /nfs/dbraw/zinc/25/11/57/809251157.db2.gz KTKOLZNWNPXIKP-UHFFFAOYSA-N 2 1 284.201 2.015 20 0 CEADMP c1cc2c(c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c1)OCC2 ZINC000693113639 802654542 /nfs/dbraw/zinc/65/45/42/802654542.db2.gz ZGPGLPBLVOEKLJ-HOTGVXAUSA-N 2 1 272.392 2.338 20 0 CEADMP c1cc2c(c(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c1)OCC2 ZINC000693113639 802654545 /nfs/dbraw/zinc/65/45/45/802654545.db2.gz ZGPGLPBLVOEKLJ-HOTGVXAUSA-N 2 1 272.392 2.338 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339065573 802750121 /nfs/dbraw/zinc/75/01/21/802750121.db2.gz AKQMOGJZCVRDRL-JONQDZQNSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339065573 802750123 /nfs/dbraw/zinc/75/01/23/802750123.db2.gz AKQMOGJZCVRDRL-JONQDZQNSA-N 3 1 265.445 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339065573 802750130 /nfs/dbraw/zinc/75/01/30/802750130.db2.gz AKQMOGJZCVRDRL-JONQDZQNSA-N 3 1 265.445 2.076 20 0 CEADMP C[C@@H](COCc1ccccc1)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000719401048 802806036 /nfs/dbraw/zinc/80/60/36/802806036.db2.gz XNRNNFZAEVSMPQ-BPQIPLTHSA-N 2 1 288.435 2.381 20 0 CEADMP C[C@H]1C[C@H](n2cnc(C[NH3+])c2)C[N@H+]1Cc1ccccc1 ZINC000398203530 802809155 /nfs/dbraw/zinc/80/91/55/802809155.db2.gz NKDDSXRCKBPYHS-BBRMVZONSA-N 2 1 270.380 2.177 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000723146819 802860518 /nfs/dbraw/zinc/86/05/18/802860518.db2.gz MXIBSAOIJVEJPD-RHYQMDGZSA-N 2 1 264.335 2.492 20 0 CEADMP CN(CC[NH2+]CCC(C)(C)C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001266730723 802869891 /nfs/dbraw/zinc/86/98/91/802869891.db2.gz DASXXYIPWVCPFH-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CC/C=C\CC[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266761265 802885996 /nfs/dbraw/zinc/88/59/96/802885996.db2.gz WWIADTQPGSPIMH-OGZRUICASA-N 2 1 295.471 2.123 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+]C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001169974447 811804927 /nfs/dbraw/zinc/80/49/27/811804927.db2.gz GHEGVVCTRUIRRH-CYBMUJFWSA-N 2 1 283.460 2.471 20 0 CEADMP C([NH2+][C@@H]1CCCC2(CC2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000723567850 802890430 /nfs/dbraw/zinc/89/04/30/802890430.db2.gz FZSYZKYEOVNRNK-KFWWJZLASA-N 2 1 264.413 2.162 20 0 CEADMP C([NH2+][C@@H]1CCCC2(CC2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000723567850 802890431 /nfs/dbraw/zinc/89/04/31/802890431.db2.gz FZSYZKYEOVNRNK-KFWWJZLASA-N 2 1 264.413 2.162 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])o1 ZINC000723649761 802915919 /nfs/dbraw/zinc/91/59/19/802915919.db2.gz GXODYJAPFPDQPE-GWCFXTLKSA-N 2 1 251.374 2.241 20 0 CEADMP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001266880707 802968146 /nfs/dbraw/zinc/96/81/46/802968146.db2.gz OCQZWEDVCVORNB-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1C ZINC000723920138 802968421 /nfs/dbraw/zinc/96/84/21/802968421.db2.gz RPPDNFDECQEFFC-UKRRQHHQSA-N 2 1 262.397 2.420 20 0 CEADMP OCC[NH+]1CCC([NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000399185404 802978191 /nfs/dbraw/zinc/97/81/91/802978191.db2.gz NMJLDIKQKIECIS-UHFFFAOYSA-N 2 1 294.361 2.154 20 0 CEADMP C[C@@H]1CC[C@@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000399195446 802978792 /nfs/dbraw/zinc/97/87/92/802978792.db2.gz RSHRIEVZPBPDTC-BPQIPLTHSA-N 2 1 287.451 2.239 20 0 CEADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)[C@H]1CCCOC1 ZINC000723971071 802980824 /nfs/dbraw/zinc/98/08/24/802980824.db2.gz ZYSIZCDOALJGTN-LSDHHAIUSA-N 2 1 265.401 2.376 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CC2)C1 ZINC001132437667 812852785 /nfs/dbraw/zinc/85/27/85/812852785.db2.gz WZFFHOJAOIIGIL-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CC2)C1 ZINC001132437667 812852790 /nfs/dbraw/zinc/85/27/90/812852790.db2.gz WZFFHOJAOIIGIL-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CC2)C1 ZINC001132437667 812852802 /nfs/dbraw/zinc/85/28/02/812852802.db2.gz WZFFHOJAOIIGIL-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001267013023 803058082 /nfs/dbraw/zinc/05/80/82/803058082.db2.gz PZGQTBSNKSNMMU-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CSCc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000725112894 803429700 /nfs/dbraw/zinc/42/97/00/803429700.db2.gz KUARMPISAXBMNU-GASCZTMLSA-N 2 1 262.422 2.201 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CC[C@@H]1[NH3+] ZINC000693978912 803452966 /nfs/dbraw/zinc/45/29/66/803452966.db2.gz AQDILOOWHHFUOY-JSGCOSHPSA-N 2 1 258.369 2.122 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCC1CC1 ZINC001267437308 803466362 /nfs/dbraw/zinc/46/63/62/803466362.db2.gz RXPQADWAJKWWPY-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001023984604 803475925 /nfs/dbraw/zinc/47/59/25/803475925.db2.gz GRNZLOMKYNNICK-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CO[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCCCC1 ZINC000695071350 803608630 /nfs/dbraw/zinc/60/86/30/803608630.db2.gz LJOWRSVWEZWLKG-OVYBAWALSA-N 2 1 278.440 2.168 20 0 CEADMP c1ccc(COC[C@H]2CC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC001207438020 803611169 /nfs/dbraw/zinc/61/11/69/803611169.db2.gz RMXLVFRLUQZXQZ-QGZVFWFLSA-N 2 1 274.408 2.277 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715402744 814954018 /nfs/dbraw/zinc/95/40/18/814954018.db2.gz MQVCHTHHWJXIGJ-WCVJEAGWSA-N 2 1 264.413 2.160 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000365650290 803655402 /nfs/dbraw/zinc/65/54/02/803655402.db2.gz QWBIYKASBWGVHU-HUUCEWRRSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000365650290 803655406 /nfs/dbraw/zinc/65/54/06/803655406.db2.gz QWBIYKASBWGVHU-HUUCEWRRSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000365650290 803655411 /nfs/dbraw/zinc/65/54/11/803655411.db2.gz QWBIYKASBWGVHU-HUUCEWRRSA-N 2 1 276.428 2.084 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001267754787 803710434 /nfs/dbraw/zinc/71/04/34/803710434.db2.gz VIPJHYQFKGMQCX-MRXNPFEDSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001267754787 803710437 /nfs/dbraw/zinc/71/04/37/803710437.db2.gz VIPJHYQFKGMQCX-MRXNPFEDSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001267754787 803710441 /nfs/dbraw/zinc/71/04/41/803710441.db2.gz VIPJHYQFKGMQCX-MRXNPFEDSA-N 2 1 293.455 2.018 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C3CC3)O2)CC[N@H+]1C ZINC000715477645 814959291 /nfs/dbraw/zinc/95/92/91/814959291.db2.gz BLMPQIXDDXWWTP-NMFUWQPSSA-N 2 1 252.402 2.016 20 0 CEADMP CC(C)CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001267848135 803773344 /nfs/dbraw/zinc/77/33/44/803773344.db2.gz FJSULQTYMZHUSM-RDJZCZTQSA-N 2 1 295.471 2.001 20 0 CEADMP CCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001267858227 803781009 /nfs/dbraw/zinc/78/10/09/803781009.db2.gz OTMAIASBLNQFNL-GRDNDAEWSA-N 2 1 295.471 2.001 20 0 CEADMP Cc1[nH]ncc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000715517988 814971470 /nfs/dbraw/zinc/97/14/70/814971470.db2.gz IJXQUHSABUODAS-UHFFFAOYSA-N 2 1 250.390 2.071 20 0 CEADMP C(C1CC2(C1)CC[NH2+]CC2)[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222287628 803828591 /nfs/dbraw/zinc/82/85/91/803828591.db2.gz NXOSWVAQLANQCR-UHFFFAOYSA-N 3 1 291.483 2.374 20 0 CEADMP CO[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000299996540 803925180 /nfs/dbraw/zinc/92/51/80/803925180.db2.gz FNBHFLALPHKXOI-JALIKCBVSA-N 2 1 252.402 2.018 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cs1 ZINC000715577459 814980538 /nfs/dbraw/zinc/98/05/38/814980538.db2.gz BKNFXGHIMXIUJM-OLZOCXBDSA-N 2 1 296.436 2.497 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)[C@@H]1CCC[NH2+]1 ZINC000423104487 804111811 /nfs/dbraw/zinc/11/18/11/804111811.db2.gz BODQHSFDGQQYBB-SNPRPXQTSA-N 2 1 260.381 2.110 20 0 CEADMP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001027576231 804132188 /nfs/dbraw/zinc/13/21/88/804132188.db2.gz MRHWTOXJYLAHGP-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001027576231 804132192 /nfs/dbraw/zinc/13/21/92/804132192.db2.gz MRHWTOXJYLAHGP-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001027576231 804132199 /nfs/dbraw/zinc/13/21/99/804132199.db2.gz MRHWTOXJYLAHGP-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001268032837 804150268 /nfs/dbraw/zinc/15/02/68/804150268.db2.gz CTTPZFKWGYWDKI-HNNXBMFYSA-N 2 1 293.455 2.065 20 0 CEADMP CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001268035568 804164362 /nfs/dbraw/zinc/16/43/62/804164362.db2.gz BFWBDIHSVCKMGX-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP CCCCOC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000692861432 804244387 /nfs/dbraw/zinc/24/43/87/804244387.db2.gz LOFSOVZOXKZHCW-HNNXBMFYSA-N 2 1 282.428 2.041 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC001167824074 804377651 /nfs/dbraw/zinc/37/76/51/804377651.db2.gz BWDWMGSVHGMEOA-GDBMZVCRSA-N 2 1 283.460 2.097 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)N1CC[N@H+]2CCC[C@@H]2C1 ZINC001167823854 804379229 /nfs/dbraw/zinc/37/92/29/804379229.db2.gz ADELCJLMFKDINT-HZPDHXFCSA-N 2 1 267.461 2.277 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)N1CC[N@H+]2CCC[C@H]2C1 ZINC001167823837 804379712 /nfs/dbraw/zinc/37/97/12/804379712.db2.gz ADELCJLMFKDINT-CVEARBPZSA-N 2 1 267.461 2.277 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]12CCOC2 ZINC001167833701 804412537 /nfs/dbraw/zinc/41/25/37/804412537.db2.gz DHFOBFXCERMDKL-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC001167835945 804427771 /nfs/dbraw/zinc/42/77/71/804427771.db2.gz WLUHPARIVISMEX-GDBMZVCRSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(C(C)=O)[C@H](C)C1 ZINC001167839807 804435933 /nfs/dbraw/zinc/43/59/33/804435933.db2.gz BYNMIOCYRRBKLY-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001268202596 804537404 /nfs/dbraw/zinc/53/74/04/804537404.db2.gz ZJQCUCPMMFWSBL-YVDRWBGASA-N 2 1 295.471 2.264 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)sn1 ZINC000692923204 804554973 /nfs/dbraw/zinc/55/49/73/804554973.db2.gz NTXNHJSALHFNSO-CYBMUJFWSA-N 2 1 295.452 2.363 20 0 CEADMP CC/C=C/CCN1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001268326605 804611319 /nfs/dbraw/zinc/61/13/19/804611319.db2.gz GLTZLBCGSJTUOP-APHBUQMISA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001268326605 804611325 /nfs/dbraw/zinc/61/13/25/804611325.db2.gz GLTZLBCGSJTUOP-APHBUQMISA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001268326605 804611330 /nfs/dbraw/zinc/61/13/30/804611330.db2.gz GLTZLBCGSJTUOP-APHBUQMISA-N 2 1 293.455 2.018 20 0 CEADMP C[C@H]1CC[N@H+](CCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000402053312 804651489 /nfs/dbraw/zinc/65/14/89/804651489.db2.gz SPUXEMFWXYUVOR-NWDGAFQWSA-N 2 1 268.351 2.424 20 0 CEADMP C[C@H]1CC[N@@H+](CCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000402053312 804651494 /nfs/dbraw/zinc/65/14/94/804651494.db2.gz SPUXEMFWXYUVOR-NWDGAFQWSA-N 2 1 268.351 2.424 20 0 CEADMP CCc1nc2cc(NC(=[NH2+])SCC[NH3+])ccc2o1 ZINC001167914728 804697602 /nfs/dbraw/zinc/69/76/02/804697602.db2.gz PABCETJKNGRLRH-UHFFFAOYSA-N 2 1 264.354 2.429 20 0 CEADMP CC(C)CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001268555843 804820053 /nfs/dbraw/zinc/82/00/53/804820053.db2.gz LKBPYFANDPJMRS-SQRWCISFSA-N 2 1 295.471 2.169 20 0 CEADMP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268657927 804913543 /nfs/dbraw/zinc/91/35/43/804913543.db2.gz LHGLCYZVNLCAFB-ZBFHGGJFSA-N 2 1 293.455 2.065 20 0 CEADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001268716708 804939069 /nfs/dbraw/zinc/93/90/69/804939069.db2.gz ITZMHOKKYQHOPU-HNNXBMFYSA-N 2 1 297.487 2.391 20 0 CEADMP CC/C=C/CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268729249 804945890 /nfs/dbraw/zinc/94/58/90/804945890.db2.gz CKTOXYKYRBOQQH-UUWJMPJDSA-N 2 1 295.471 2.119 20 0 CEADMP CC/C=C/CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268729249 804945892 /nfs/dbraw/zinc/94/58/92/804945892.db2.gz CKTOXYKYRBOQQH-UUWJMPJDSA-N 2 1 295.471 2.119 20 0 CEADMP CC/C=C/CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268729249 804945894 /nfs/dbraw/zinc/94/58/94/804945894.db2.gz CKTOXYKYRBOQQH-UUWJMPJDSA-N 2 1 295.471 2.119 20 0 CEADMP CC(C)O[C@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387417 807041059 /nfs/dbraw/zinc/04/10/59/807041059.db2.gz HXYGDOMUENWSBM-INIZCTEOSA-N 2 1 266.429 2.360 20 0 CEADMP CCC/C=C/CC[NH+]1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001269805590 805256673 /nfs/dbraw/zinc/25/66/73/805256673.db2.gz HICPRFOXQLLDEU-ZNFPLGDCSA-N 2 1 295.471 2.216 20 0 CEADMP CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001269951378 805295370 /nfs/dbraw/zinc/29/53/70/805295370.db2.gz IYWNBDLLPZTUSZ-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001270010825 805308436 /nfs/dbraw/zinc/30/84/36/805308436.db2.gz MACHOOFTCAKLBA-BZUAXINKSA-N 2 1 293.455 2.064 20 0 CEADMP CC(C)(O)[C@H](F)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167979300 805512925 /nfs/dbraw/zinc/51/29/25/805512925.db2.gz ZVZMZHMJMCHTAV-JALIKCBVSA-N 2 1 284.419 2.090 20 0 CEADMP CC(C)(O)[C@H](F)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167979300 805512929 /nfs/dbraw/zinc/51/29/29/805512929.db2.gz ZVZMZHMJMCHTAV-JALIKCBVSA-N 2 1 284.419 2.090 20 0 CEADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NCC[NH+](C)C)nc1 ZINC001161666839 805534414 /nfs/dbraw/zinc/53/44/14/805534414.db2.gz MHAPPWFWHSDSAN-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001029144118 805558230 /nfs/dbraw/zinc/55/82/30/805558230.db2.gz BICFBWPKUIVDOT-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC(C)(C)C)C1 ZINC001030401003 807167507 /nfs/dbraw/zinc/16/75/07/807167507.db2.gz KYFOHNIXRBCEBT-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC(C)(C)C)C1 ZINC001030401003 807167512 /nfs/dbraw/zinc/16/75/12/807167512.db2.gz KYFOHNIXRBCEBT-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+](C[C@@H]1CCC2(CCC2)CO1)C1CC[NH2+]CC1 ZINC000716295141 815110838 /nfs/dbraw/zinc/11/08/38/815110838.db2.gz QSPJCMYPLOWFEV-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)C(C)C)[NH+](C)C ZINC001089226013 807441889 /nfs/dbraw/zinc/44/18/89/807441889.db2.gz RMJOXLUCOHUPFC-GJZGRUSLSA-N 2 1 283.460 2.048 20 0 CEADMP CCC[C@@H](C)C[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001272429458 807480934 /nfs/dbraw/zinc/48/09/34/807480934.db2.gz FMWWSKIGSZKTAN-WBVHZDCISA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001031044958 807618297 /nfs/dbraw/zinc/61/82/97/807618297.db2.gz HDPZZXKICLBOJS-MRXNPFEDSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001031044958 807618301 /nfs/dbraw/zinc/61/83/01/807618301.db2.gz HDPZZXKICLBOJS-MRXNPFEDSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+](Cc1ccccn1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699291602 807674600 /nfs/dbraw/zinc/67/46/00/807674600.db2.gz VCSHCNNDQDILIX-GOOCMWNKSA-N 2 1 259.397 2.434 20 0 CEADMP CN1CC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716695445 815143558 /nfs/dbraw/zinc/14/35/58/815143558.db2.gz XCFKNOGACCTXGN-VJANTYMQSA-N 2 1 299.462 2.333 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CCCC[C@@]23CC[NH2+]C3)CCO1 ZINC001235124345 807780949 /nfs/dbraw/zinc/78/09/49/807780949.db2.gz MTUYTYXPFHJPTG-ZBFHGGJFSA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235318392 807816908 /nfs/dbraw/zinc/81/69/08/807816908.db2.gz FHLMJOLSIDPJGO-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC)[C@H](C)C1 ZINC001106775604 807851496 /nfs/dbraw/zinc/85/14/96/807851496.db2.gz SPPLDSXZVYJRNN-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP C[C@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[C@@H]1O ZINC001171631899 815201975 /nfs/dbraw/zinc/20/19/75/815201975.db2.gz PFHRJMDNFIHTDC-JSGCOSHPSA-N 2 1 268.445 2.341 20 0 CEADMP CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107450502 808440648 /nfs/dbraw/zinc/44/06/48/808440648.db2.gz JIEOCUZGYCWIHD-BFYDXBDKSA-N 2 1 295.471 2.097 20 0 CEADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639756 815213763 /nfs/dbraw/zinc/21/37/63/815213763.db2.gz SFCOPZKDPBXZDX-AWEZNQCLSA-N 2 1 295.471 2.190 20 0 CEADMP COC(C[N@H+](C)C1CC(C)(C)[NH+](C)C(C)(C)C1)OC ZINC001171639344 815214355 /nfs/dbraw/zinc/21/43/55/815214355.db2.gz GPNSETBLHOZIIG-UHFFFAOYSA-N 2 1 272.433 2.189 20 0 CEADMP COC(C[N@@H+](C)C1CC(C)(C)[NH+](C)C(C)(C)C1)OC ZINC001171639344 815214358 /nfs/dbraw/zinc/21/43/58/815214358.db2.gz GPNSETBLHOZIIG-UHFFFAOYSA-N 2 1 272.433 2.189 20 0 CEADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641627 815215093 /nfs/dbraw/zinc/21/50/93/815215093.db2.gz QZJWHTPUDIRQTR-KBPBESRZSA-N 2 1 279.472 2.416 20 0 CEADMP COC[C@@H]1CC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171640277 815215110 /nfs/dbraw/zinc/21/51/10/815215110.db2.gz AJXABJFLOJTKBW-LBPRGKRZSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@H]1C[C@@H](N(C)C(C)(C)C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171733512 815215943 /nfs/dbraw/zinc/21/59/43/815215943.db2.gz UMVHHEAVQJWYLR-GOEBONIOSA-N 2 1 275.440 2.319 20 0 CEADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210100 808557355 /nfs/dbraw/zinc/55/73/55/808557355.db2.gz MOZOYMIUTZTWJK-HUUCEWRRSA-N 2 1 256.434 2.379 20 0 CEADMP C[C@@H]1C[C@H](n2ccc(C[NH3+])n2)C[N@H+]1Cc1ccccc1 ZINC001171725958 815218059 /nfs/dbraw/zinc/21/80/59/815218059.db2.gz QNSMIHFUKHVICG-CJNGLKHVSA-N 2 1 270.380 2.177 20 0 CEADMP CC(C)Oc1cccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205219406 808611559 /nfs/dbraw/zinc/61/15/59/808611559.db2.gz CISWUIOQDMNMGE-QGZVFWFLSA-N 2 1 292.423 2.150 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171746617 815224292 /nfs/dbraw/zinc/22/42/92/815224292.db2.gz QBCJJJHSNPOKJA-VQIMIIECSA-N 2 1 299.462 2.429 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171746617 815224294 /nfs/dbraw/zinc/22/42/94/815224294.db2.gz QBCJJJHSNPOKJA-VQIMIIECSA-N 2 1 299.462 2.429 20 0 CEADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC001171758907 815225782 /nfs/dbraw/zinc/22/57/82/815225782.db2.gz CMCRBHXYKFZTBB-SPUZQDLCSA-N 2 1 285.435 2.038 20 0 CEADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171758907 815225785 /nfs/dbraw/zinc/22/57/85/815225785.db2.gz CMCRBHXYKFZTBB-SPUZQDLCSA-N 2 1 285.435 2.038 20 0 CEADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171758907 815225789 /nfs/dbraw/zinc/22/57/89/815225789.db2.gz CMCRBHXYKFZTBB-SPUZQDLCSA-N 2 1 285.435 2.038 20 0 CEADMP CN(C[C@H]1CCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000300210901 808748239 /nfs/dbraw/zinc/74/82/39/808748239.db2.gz VHWHWFIGXMCRLP-MSOLQXFVSA-N 2 1 287.451 2.335 20 0 CEADMP C[NH+](C)C1CCC([NH2+]CCCN2CCCCC2)CC1 ZINC000715534164 808759380 /nfs/dbraw/zinc/75/93/80/808759380.db2.gz VLLGPXMYMCDERO-UHFFFAOYSA-N 2 1 267.461 2.325 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)c2ncc[nH]2)C1 ZINC000353619822 808833226 /nfs/dbraw/zinc/83/32/26/808833226.db2.gz IXDSHJPMNXYAAD-ZIAGYGMSSA-N 2 1 264.417 2.428 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168684571 808960861 /nfs/dbraw/zinc/96/08/61/808960861.db2.gz KJNYRAYXEAVHPC-AAEUAGOBSA-N 2 1 264.800 2.349 20 0 CEADMP CCCCC[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203337606 815253331 /nfs/dbraw/zinc/25/33/31/815253331.db2.gz NEGBXTHODNHOIK-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2cc(O)cc(Br)c2)CC1 ZINC001205046335 809068085 /nfs/dbraw/zinc/06/80/85/809068085.db2.gz DZHVGPKGBVTXCR-UHFFFAOYSA-N 2 1 299.212 2.325 20 0 CEADMP CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001033125601 809195300 /nfs/dbraw/zinc/19/53/00/809195300.db2.gz FTJUZRBNQFAVTB-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001033125601 809195303 /nfs/dbraw/zinc/19/53/03/809195303.db2.gz FTJUZRBNQFAVTB-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001033125601 809195307 /nfs/dbraw/zinc/19/53/07/809195307.db2.gz FTJUZRBNQFAVTB-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP COCc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1 ZINC000700488685 809316944 /nfs/dbraw/zinc/31/69/44/809316944.db2.gz JYDXLMSZRYMFLL-CYBMUJFWSA-N 2 1 250.386 2.263 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@](C)(O)CC1)C2 ZINC001172101248 815283191 /nfs/dbraw/zinc/28/31/91/815283191.db2.gz XPWZAGQYXNCBFF-JHJNDJDLSA-N 2 1 266.429 2.285 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@](C)(O)CC1)C2 ZINC001172101248 815283192 /nfs/dbraw/zinc/28/31/92/815283192.db2.gz XPWZAGQYXNCBFF-JHJNDJDLSA-N 2 1 266.429 2.285 20 0 CEADMP COC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)C ZINC001172099387 815283296 /nfs/dbraw/zinc/28/32/96/815283296.db2.gz KHQYKRCHZBWLQW-LXTVHRRPSA-N 2 1 254.418 2.262 20 0 CEADMP COC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001172099387 815283300 /nfs/dbraw/zinc/28/33/00/815283300.db2.gz KHQYKRCHZBWLQW-LXTVHRRPSA-N 2 1 254.418 2.262 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001033688451 809382098 /nfs/dbraw/zinc/38/20/98/809382098.db2.gz QQZPRBACWUCPQL-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033688451 809382102 /nfs/dbraw/zinc/38/21/02/809382102.db2.gz QQZPRBACWUCPQL-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1C[C@@H]([NH3+])Cc3ccccc31)C2 ZINC001172100785 815284878 /nfs/dbraw/zinc/28/48/78/815284878.db2.gz TXCNIMPFUQVHKM-NXOAAHMSSA-N 2 1 285.435 2.392 20 0 CEADMP CCC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172124646 815285801 /nfs/dbraw/zinc/28/58/01/815285801.db2.gz MRJKRVPMICAQFG-ZSHCYNCHSA-N 2 1 265.445 2.029 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC([NH+]3CCCCC3)C1)C2 ZINC001172127350 815286723 /nfs/dbraw/zinc/28/67/23/815286723.db2.gz IKZKZCOCMFRRHP-MUJYYYPQSA-N 2 1 277.456 2.172 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(c3cccnc3)C1)C2 ZINC001172128198 815289557 /nfs/dbraw/zinc/28/95/57/815289557.db2.gz PSSAEKYGMUGETJ-FVQHAEBGSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C2 ZINC001172102923 815293827 /nfs/dbraw/zinc/29/38/27/815293827.db2.gz QQWZGFCHXIRVIA-NXOAAHMSSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+]1CCC[C@@H](CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172102923 815293831 /nfs/dbraw/zinc/29/38/31/815293831.db2.gz QQWZGFCHXIRVIA-NXOAAHMSSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+]1CCC[C@@H](CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172102923 815293834 /nfs/dbraw/zinc/29/38/34/815293834.db2.gz QQWZGFCHXIRVIA-NXOAAHMSSA-N 3 1 279.472 2.323 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C2 ZINC001172102923 815293838 /nfs/dbraw/zinc/29/38/38/815293838.db2.gz QQWZGFCHXIRVIA-NXOAAHMSSA-N 2 1 279.472 2.323 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001172102923 815293841 /nfs/dbraw/zinc/29/38/41/815293841.db2.gz QQWZGFCHXIRVIA-NXOAAHMSSA-N 2 1 279.472 2.323 20 0 CEADMP CCCOCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104216 815294303 /nfs/dbraw/zinc/29/43/03/815294303.db2.gz AUKMTRLNOAFZDS-QDMKHBRRSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034397744 809599480 /nfs/dbraw/zinc/59/94/80/809599480.db2.gz LCOURZRWCZZSFP-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034397744 809599484 /nfs/dbraw/zinc/59/94/84/809599484.db2.gz LCOURZRWCZZSFP-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034397744 809599488 /nfs/dbraw/zinc/59/94/88/809599488.db2.gz LCOURZRWCZZSFP-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000703017871 809610128 /nfs/dbraw/zinc/61/01/28/809610128.db2.gz MVPJZGQULGKZFZ-NFOMZHRRSA-N 2 1 254.418 2.002 20 0 CEADMP CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001034661835 809655249 /nfs/dbraw/zinc/65/52/49/809655249.db2.gz JXHGPCHBENDNTD-JYJNAYRXSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@@H]1CC[C@@H](CO)C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172120789 815308442 /nfs/dbraw/zinc/30/84/42/815308442.db2.gz MYZGTIGWKLJQNG-DGXTUMSLSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[C@@H](CO)C[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120789 815308448 /nfs/dbraw/zinc/30/84/48/815308448.db2.gz MYZGTIGWKLJQNG-DGXTUMSLSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[C@@H](CO)C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120789 815308454 /nfs/dbraw/zinc/30/84/54/815308454.db2.gz MYZGTIGWKLJQNG-DGXTUMSLSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120789 815308459 /nfs/dbraw/zinc/30/84/59/815308459.db2.gz MYZGTIGWKLJQNG-DGXTUMSLSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120789 815308466 /nfs/dbraw/zinc/30/84/66/815308466.db2.gz MYZGTIGWKLJQNG-DGXTUMSLSA-N 2 1 266.429 2.095 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172124333 815315487 /nfs/dbraw/zinc/31/54/87/815315487.db2.gz KQTNGOOWBYTNFF-SUJAAXHWSA-N 2 1 294.439 2.133 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172124333 815315493 /nfs/dbraw/zinc/31/54/93/815315493.db2.gz KQTNGOOWBYTNFF-SUJAAXHWSA-N 2 1 294.439 2.133 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172124333 815315500 /nfs/dbraw/zinc/31/55/00/815315500.db2.gz KQTNGOOWBYTNFF-SUJAAXHWSA-N 2 1 294.439 2.133 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172124333 815315507 /nfs/dbraw/zinc/31/55/07/815315507.db2.gz KQTNGOOWBYTNFF-SUJAAXHWSA-N 2 1 294.439 2.133 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@]3(CCO3)C1)C2 ZINC001172124098 815315573 /nfs/dbraw/zinc/31/55/73/815315573.db2.gz JJZDTIJMSVWMBC-FXUDXRNXSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@]3(CCO3)C1)C2 ZINC001172124098 815315578 /nfs/dbraw/zinc/31/55/78/815315578.db2.gz JJZDTIJMSVWMBC-FXUDXRNXSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@]3(CCO3)C1)C2 ZINC001172124098 815315585 /nfs/dbraw/zinc/31/55/85/815315585.db2.gz JJZDTIJMSVWMBC-FXUDXRNXSA-N 2 1 264.413 2.257 20 0 CEADMP CCOC[C@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000707584539 809916714 /nfs/dbraw/zinc/91/67/14/809916714.db2.gz URSDVOOTVLOZJM-PNRVRQOCSA-N 2 1 266.429 2.266 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708850044 809936839 /nfs/dbraw/zinc/93/68/39/809936839.db2.gz NCIPBZRUMSPNLR-IAGOWNOFSA-N 2 1 280.456 2.345 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000708991332 809939222 /nfs/dbraw/zinc/93/92/22/809939222.db2.gz BSHSMOPPLMZFJO-CABCVRRESA-N 2 1 254.418 2.131 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000708991332 809939225 /nfs/dbraw/zinc/93/92/25/809939225.db2.gz BSHSMOPPLMZFJO-CABCVRRESA-N 2 1 254.418 2.131 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000709731845 809955410 /nfs/dbraw/zinc/95/54/10/809955410.db2.gz GASHDLSYVOANAF-LBPRGKRZSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@]1(C(F)(F)F)CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000709597770 809966093 /nfs/dbraw/zinc/96/60/93/809966093.db2.gz WVBJKLZSWQNZKT-GHMZBOCLSA-N 2 1 250.308 2.260 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCOc1ccccc1)C2 ZINC000709862935 809973227 /nfs/dbraw/zinc/97/32/27/809973227.db2.gz QTYNBANQWQFKNN-KKUMJFAQSA-N 2 1 260.381 2.267 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](c3nccs3)C2)C1 ZINC000710440578 809988281 /nfs/dbraw/zinc/98/82/81/809988281.db2.gz HXJDJQWWVBCQFQ-QJPTWQEYSA-N 2 1 251.399 2.060 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@H](c3nccs3)C2)CCC[NH2+]C1 ZINC000710498195 809989204 /nfs/dbraw/zinc/98/92/04/809989204.db2.gz HKZYRDTZMWJVRZ-JSGCOSHPSA-N 2 1 265.426 2.322 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CSc2ccccc2C1 ZINC001172205423 815333338 /nfs/dbraw/zinc/33/33/38/815333338.db2.gz WKCHXRYCGSVGIY-AAEUAGOBSA-N 2 1 250.411 2.230 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)no2)CC[C@H]1C[NH3+] ZINC000923503654 810105664 /nfs/dbraw/zinc/10/56/64/810105664.db2.gz KHQHREMKMUPTCT-OCCSQVGLSA-N 2 1 286.379 2.153 20 0 CEADMP CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079848674 810236185 /nfs/dbraw/zinc/23/61/85/810236185.db2.gz GOCRFGCPEKPRRN-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079848674 810236189 /nfs/dbraw/zinc/23/61/89/810236189.db2.gz GOCRFGCPEKPRRN-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079848674 810236193 /nfs/dbraw/zinc/23/61/93/810236193.db2.gz GOCRFGCPEKPRRN-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001172250947 815357874 /nfs/dbraw/zinc/35/78/74/815357874.db2.gz WQOAYKSUPGUNEH-GASCZTMLSA-N 2 1 266.429 2.219 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001172250947 815357879 /nfs/dbraw/zinc/35/78/79/815357879.db2.gz WQOAYKSUPGUNEH-GASCZTMLSA-N 2 1 266.429 2.219 20 0 CEADMP COCCCN1CCC([N@@H+](C)CCC2CC2)CC1 ZINC001172253126 815361291 /nfs/dbraw/zinc/36/12/91/815361291.db2.gz CULOAXGFUIPJMO-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP COCCC[NH+]1CCC([N@H+](C)CCC2CC2)CC1 ZINC001172253126 815361296 /nfs/dbraw/zinc/36/12/96/815361296.db2.gz CULOAXGFUIPJMO-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP COCCC[NH+]1CCC([N@@H+](C)CCC2CC2)CC1 ZINC001172253126 815361301 /nfs/dbraw/zinc/36/13/01/815361301.db2.gz CULOAXGFUIPJMO-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015795426 810353791 /nfs/dbraw/zinc/35/37/91/810353791.db2.gz PPHVESRDSVXJLG-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015795171 810353861 /nfs/dbraw/zinc/35/38/61/810353861.db2.gz MIOKJUZAQOVNIA-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001258907050 810667901 /nfs/dbraw/zinc/66/79/01/810667901.db2.gz DLDXEFDOPSYDQS-SOUVJXGZSA-N 2 1 274.424 2.149 20 0 CEADMP CCc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)on1 ZINC001205985627 810729053 /nfs/dbraw/zinc/72/90/53/810729053.db2.gz ZBBPMIKSWKBTDE-RYUDHWBXSA-N 2 1 251.374 2.044 20 0 CEADMP CO[C@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000379287991 810738425 /nfs/dbraw/zinc/73/84/25/810738425.db2.gz UFNODAROORUIFR-MRXNPFEDSA-N 2 1 274.408 2.450 20 0 CEADMP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001085394430 810738554 /nfs/dbraw/zinc/73/85/54/810738554.db2.gz KVVYQGDWVSBVSR-BZUAXINKSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2COC3(CCCCC3)O2)CCC[C@H]1C[NH3+] ZINC001205985692 810772722 /nfs/dbraw/zinc/77/27/22/810772722.db2.gz ZVXVEVGEZNDLCZ-JYJNAYRXSA-N 2 1 296.455 2.369 20 0 CEADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC=C(C)C ZINC001039046680 810974552 /nfs/dbraw/zinc/97/45/52/810974552.db2.gz AVVWSIZJWUXOJH-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC=C(C)C ZINC001039046680 810974557 /nfs/dbraw/zinc/97/45/57/810974557.db2.gz AVVWSIZJWUXOJH-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC=C(C)C ZINC001039046680 810974559 /nfs/dbraw/zinc/97/45/59/810974559.db2.gz AVVWSIZJWUXOJH-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC=C(C)C ZINC001039046680 810974566 /nfs/dbraw/zinc/97/45/66/810974566.db2.gz AVVWSIZJWUXOJH-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC[C@@H](CC(C)C)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001172389101 815424703 /nfs/dbraw/zinc/42/47/03/815424703.db2.gz LEACSFOTCVQLJE-QWHCGFSZSA-N 2 1 258.406 2.071 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000379633420 811122993 /nfs/dbraw/zinc/12/29/93/811122993.db2.gz UKNGVDLNGXFQEB-BPQIPLTHSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379633420 811122995 /nfs/dbraw/zinc/12/29/95/811122995.db2.gz UKNGVDLNGXFQEB-BPQIPLTHSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379633420 811122997 /nfs/dbraw/zinc/12/29/97/811122997.db2.gz UKNGVDLNGXFQEB-BPQIPLTHSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cncc(F)c2)CCC[C@@H]1C[NH3+] ZINC001205991396 811209991 /nfs/dbraw/zinc/20/99/91/811209991.db2.gz AOGJXUGPRJOKNK-DGCLKSJQSA-N 2 1 251.349 2.028 20 0 CEADMP COC(=O)C1(C)CCC([NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001168797009 811247644 /nfs/dbraw/zinc/24/76/44/811247644.db2.gz OXOGJOVNXQVEBA-UHFFFAOYSA-N 2 1 294.439 2.278 20 0 CEADMP Cn1ccc2c1[nH+]ccc2N(CC[NH3+])c1cccnc1 ZINC001168838534 811265013 /nfs/dbraw/zinc/26/50/13/811265013.db2.gz ZOOWCVDNXNCUEB-UHFFFAOYSA-N 2 1 267.336 2.065 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3c(cn2)OCCC3)CCC[C@@H]1C[NH3+] ZINC001205996069 811306324 /nfs/dbraw/zinc/30/63/24/811306324.db2.gz UKUWNKQWESTCTP-UKRRQHHQSA-N 2 1 289.423 2.213 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC[C@H](O)c1ccccc1)C2 ZINC001169099472 811369190 /nfs/dbraw/zinc/36/91/90/811369190.db2.gz SQZWETSWNPCICG-YVSFHVDLSA-N 2 1 274.408 2.325 20 0 CEADMP CCCCOCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099773 811372075 /nfs/dbraw/zinc/37/20/75/811372075.db2.gz VLJOMJLDPWDSRI-QKDCVEJESA-N 2 1 254.418 2.408 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1[C@@H]3C[C@@H]4C[C@H]1C[C@](O)(C3)C4)C2 ZINC001169077852 811376016 /nfs/dbraw/zinc/37/60/16/811376016.db2.gz ASRFCMQAVVSDFK-XIHRUJQASA-N 2 1 290.451 2.141 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3c(c1)OCO3)C2 ZINC001169081711 811377087 /nfs/dbraw/zinc/37/70/87/811377087.db2.gz VCJUJKYWXPBYKX-BTTYYORXSA-N 2 1 274.364 2.130 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3c(c1)OCO3)C2 ZINC001169081711 811377095 /nfs/dbraw/zinc/37/70/95/811377095.db2.gz VCJUJKYWXPBYKX-BTTYYORXSA-N 2 1 274.364 2.130 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)n21 ZINC001169081020 811377977 /nfs/dbraw/zinc/37/79/77/811377977.db2.gz PDBJDRQFBICQMP-QDMKHBRRSA-N 2 1 284.407 2.358 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)n21 ZINC001169081020 811377986 /nfs/dbraw/zinc/37/79/86/811377986.db2.gz PDBJDRQFBICQMP-QDMKHBRRSA-N 2 1 284.407 2.358 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)C2 ZINC001169077933 811378953 /nfs/dbraw/zinc/37/89/53/811378953.db2.gz BXOJOVXHZIGRIS-FZKCQIBNSA-N 2 1 278.371 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc3nccnc13)C2 ZINC001169125219 811390811 /nfs/dbraw/zinc/39/08/11/811390811.db2.gz WLFDRPJWWAEXDV-QKDCVEJESA-N 2 1 282.391 2.345 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@]3(CCOC3)C1)C2 ZINC001169128334 811395845 /nfs/dbraw/zinc/39/58/45/811395845.db2.gz DBEXYJRCJNBAFT-FZKCQIBNSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@]3(CCOC3)C1)C2 ZINC001169128334 811395850 /nfs/dbraw/zinc/39/58/50/811395850.db2.gz DBEXYJRCJNBAFT-FZKCQIBNSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@]3(CCOC3)C1)C2 ZINC001169128334 811395865 /nfs/dbraw/zinc/39/58/65/811395865.db2.gz DBEXYJRCJNBAFT-FZKCQIBNSA-N 2 1 264.413 2.114 20 0 CEADMP CO[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001169161725 811420550 /nfs/dbraw/zinc/42/05/50/811420550.db2.gz QFTUCSWZDCLNHZ-NIFZNCRKSA-N 2 1 252.402 2.111 20 0 CEADMP CO[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC001169161725 811420557 /nfs/dbraw/zinc/42/05/57/811420557.db2.gz QFTUCSWZDCLNHZ-NIFZNCRKSA-N 2 1 252.402 2.111 20 0 CEADMP CO[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC001169161725 811420559 /nfs/dbraw/zinc/42/05/59/811420559.db2.gz QFTUCSWZDCLNHZ-NIFZNCRKSA-N 2 1 252.402 2.111 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](C(C)(C)O)CC2)CC1 ZINC001169231166 811444594 /nfs/dbraw/zinc/44/45/94/811444594.db2.gz TVQBBZSUVKJHMY-HDJSIYSDSA-N 2 1 268.445 2.390 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2COc3cccc(OC)c3C2)CC1 ZINC001169232912 811446955 /nfs/dbraw/zinc/44/69/55/811446955.db2.gz IALZJDGRSLANIV-CQSZACIVSA-N 2 1 290.407 2.073 20 0 CEADMP CCOCC1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC001169266348 811455057 /nfs/dbraw/zinc/45/50/57/811455057.db2.gz WCHDDKLCJXTVRL-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+]1CCC(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)CC1 ZINC001169266154 811455291 /nfs/dbraw/zinc/45/52/91/811455291.db2.gz SSVMXYOSWSVBGJ-IBGZPJMESA-N 2 1 299.462 2.386 20 0 CEADMP CC[NH+]1CCC(N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001169244153 811460473 /nfs/dbraw/zinc/46/04/73/811460473.db2.gz DLBOGJNDMOMHBR-SFHVURJKSA-N 2 1 287.451 2.459 20 0 CEADMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)N(CC)CC ZINC001169433106 811520960 /nfs/dbraw/zinc/52/09/60/811520960.db2.gz RWPUTRPOKQJYPZ-OAHLLOKOSA-N 2 1 285.476 2.345 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[N@@H+](C(C)C)C1CCN(C)CC1 ZINC001169490641 811550111 /nfs/dbraw/zinc/55/01/11/811550111.db2.gz UAHAXZCUJYPSSW-HNNXBMFYSA-N 2 1 297.487 2.438 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)nc2F)CCC[C@H]1C[NH3+] ZINC001206013097 811576142 /nfs/dbraw/zinc/57/61/42/811576142.db2.gz PEURIYXKWIQYHW-STQMWFEESA-N 2 1 294.418 2.094 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1OC ZINC001206165887 815460187 /nfs/dbraw/zinc/46/01/87/815460187.db2.gz PQXGNPNYVKTCCV-KGLIPLIRSA-N 2 1 296.386 2.273 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1OC ZINC001206165887 815460191 /nfs/dbraw/zinc/46/01/91/815460191.db2.gz PQXGNPNYVKTCCV-KGLIPLIRSA-N 2 1 296.386 2.273 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(CCO)cc2)CCC[C@@H]1C[NH3+] ZINC001206015002 811609243 /nfs/dbraw/zinc/60/92/43/811609243.db2.gz ZFCOOIXZKUVVCB-WMLDXEAASA-N 2 1 276.424 2.028 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001172592383 815466992 /nfs/dbraw/zinc/46/69/92/815466992.db2.gz HVVKCULWLZXVFY-QPSCCSFWSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001172592385 815467171 /nfs/dbraw/zinc/46/71/71/815467171.db2.gz HVVKCULWLZXVFY-XGUBFFRZSA-N 2 1 282.428 2.181 20 0 CEADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169810583 811677041 /nfs/dbraw/zinc/67/70/41/811677041.db2.gz RARFXBDEGZSJPJ-CABCVRRESA-N 2 1 283.460 2.145 20 0 CEADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169810586 811677561 /nfs/dbraw/zinc/67/75/61/811677561.db2.gz RARFXBDEGZSJPJ-HUUCEWRRSA-N 2 1 283.460 2.145 20 0 CEADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169906072 811707422 /nfs/dbraw/zinc/70/74/22/811707422.db2.gz SBLHKFBEXSAPOF-HNNXBMFYSA-N 2 1 284.444 2.384 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172605644 815471221 /nfs/dbraw/zinc/47/12/21/815471221.db2.gz ZOANUUYWGXIFET-XFIYOXNOSA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172605644 815471225 /nfs/dbraw/zinc/47/12/25/815471225.db2.gz ZOANUUYWGXIFET-XFIYOXNOSA-N 2 1 294.439 2.323 20 0 CEADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001172613969 815474648 /nfs/dbraw/zinc/47/46/48/815474648.db2.gz BGTBSGMTGGKOMK-UKRRQHHQSA-N 2 1 282.428 2.134 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001172613969 815474651 /nfs/dbraw/zinc/47/46/51/815474651.db2.gz BGTBSGMTGGKOMK-UKRRQHHQSA-N 2 1 282.428 2.134 20 0 CEADMP CCCC[NH+](CCCC)CCNc1cc[nH+]c(N)n1 ZINC001156905315 811950665 /nfs/dbraw/zinc/95/06/65/811950665.db2.gz HKIHCRPCJQLEEX-UHFFFAOYSA-N 2 1 265.405 2.373 20 0 CEADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H](C)CCCC(C)C ZINC001170061560 812019633 /nfs/dbraw/zinc/01/96/33/812019633.db2.gz UNZXJBNBUKNFKD-KGLIPLIRSA-N 2 1 272.433 2.461 20 0 CEADMP COC(=O)N1CCC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001172736811 815497637 /nfs/dbraw/zinc/49/76/37/815497637.db2.gz ROQQWUFGEQGMTM-CQSZACIVSA-N 2 1 297.443 2.058 20 0 CEADMP CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049531959 812160490 /nfs/dbraw/zinc/16/04/90/812160490.db2.gz FPULUDIKHBSMAH-JYJNAYRXSA-N 2 1 295.471 2.048 20 0 CEADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049548072 812164458 /nfs/dbraw/zinc/16/44/58/812164458.db2.gz BSFAUSAAJMZFLY-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049726087 812200128 /nfs/dbraw/zinc/20/01/28/812200128.db2.gz BSFAUSAAJMZFLY-ARFHVFGLSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001170172469 812333354 /nfs/dbraw/zinc/33/33/54/812333354.db2.gz ZDLVUOIDNXVIEM-SBJFKYEJSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC[C@](O)(C(F)(F)F)C2)CC1 ZINC001254515906 812436330 /nfs/dbraw/zinc/43/63/30/812436330.db2.gz GJWYMLSRTFSWPI-CHWSQXEVSA-N 2 1 294.361 2.250 20 0 CEADMP CC(C)(C)OC(=O)N1[C@H]2C=C[C@@H]1CC([NH2+]C(C)(C)C[NH3+])C2 ZINC001172801437 815532023 /nfs/dbraw/zinc/53/20/23/815532023.db2.gz GDXJCBNHFSZXRJ-YHWZYXNKSA-N 2 1 295.427 2.020 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052956043 812478835 /nfs/dbraw/zinc/47/88/35/812478835.db2.gz NZEJAXSMEVOBEL-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001052956043 812478837 /nfs/dbraw/zinc/47/88/37/812478837.db2.gz NZEJAXSMEVOBEL-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001052956043 812478839 /nfs/dbraw/zinc/47/88/39/812478839.db2.gz NZEJAXSMEVOBEL-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CCC(C)(C)C ZINC001129841867 812513249 /nfs/dbraw/zinc/51/32/49/812513249.db2.gz QJLWSTREUBVSMD-CQSZACIVSA-N 2 1 283.460 2.003 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129839510 812514869 /nfs/dbraw/zinc/51/48/69/812514869.db2.gz AUXVSSNIYSTEQO-HNNXBMFYSA-N 2 1 283.460 2.147 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130188742 812540990 /nfs/dbraw/zinc/54/09/90/812540990.db2.gz IKQBGTWWHWEILY-JKSUJKDBSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1cccc2nc(C[NH+]3CC4(C3)CC[NH+](C)CC4)cn21 ZINC001137301525 812575389 /nfs/dbraw/zinc/57/53/89/812575389.db2.gz OTXMFZNNTDFXIZ-UHFFFAOYSA-N 2 1 284.407 2.170 20 0 CEADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170525109 812622084 /nfs/dbraw/zinc/62/20/84/812622084.db2.gz FZJAUVNFCBQVDY-FPCVCCKLSA-N 2 1 294.439 2.310 20 0 CEADMP CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001054826747 812654300 /nfs/dbraw/zinc/65/43/00/812654300.db2.gz NSTXSZDZKRWVSK-UKRRQHHQSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158473374 812740418 /nfs/dbraw/zinc/74/04/18/812740418.db2.gz KOFHOFAHBBAGOA-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001158473374 812740423 /nfs/dbraw/zinc/74/04/23/812740423.db2.gz KOFHOFAHBBAGOA-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001158473374 812740429 /nfs/dbraw/zinc/74/04/29/812740429.db2.gz KOFHOFAHBBAGOA-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001050336322 812809232 /nfs/dbraw/zinc/80/92/32/812809232.db2.gz LNKUKCJWIAAULO-JYJNAYRXSA-N 2 1 295.471 2.144 20 0 CEADMP CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001050392805 812813815 /nfs/dbraw/zinc/81/38/15/812813815.db2.gz HLMNLQCQBDOENW-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)n1c[nH+]cc1CC[NH3+] ZINC001172946229 815557033 /nfs/dbraw/zinc/55/70/33/815557033.db2.gz JUZHGEIBZRJLMA-LBPRGKRZSA-N 2 1 296.415 2.202 20 0 CEADMP c1ccc(COC[C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]3)C2)cc1 ZINC000384053254 813111856 /nfs/dbraw/zinc/11/18/56/813111856.db2.gz VULMVZVWXRSWCS-IAGOWNOFSA-N 2 1 274.408 2.277 20 0 CEADMP c1ccc(COC[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]3)C2)cc1 ZINC000384053254 813111860 /nfs/dbraw/zinc/11/18/60/813111860.db2.gz VULMVZVWXRSWCS-IAGOWNOFSA-N 2 1 274.408 2.277 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2ncccc2Br)CC1 ZINC000384097765 813113150 /nfs/dbraw/zinc/11/31/50/813113150.db2.gz WEDGYZGGLPKCQB-UHFFFAOYSA-N 2 1 298.228 2.276 20 0 CEADMP CC[NH+](CC)C1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC001173103418 815580104 /nfs/dbraw/zinc/58/01/04/815580104.db2.gz BHOCDPGPPZRFLB-UHFFFAOYSA-N 3 1 267.461 2.323 20 0 CEADMP CC(C)(C)CC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135102483 813366033 /nfs/dbraw/zinc/36/60/33/813366033.db2.gz FAFRQACUCZMAAE-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086742130 813467877 /nfs/dbraw/zinc/46/78/77/813467877.db2.gz ZFHAUZUXSUKQAK-ARFHVFGLSA-N 2 1 295.471 2.001 20 0 CEADMP CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135679298 813499655 /nfs/dbraw/zinc/49/96/55/813499655.db2.gz MADWSIKODZWGDR-UONOGXRCSA-N 2 1 294.443 2.255 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170870926 813570140 /nfs/dbraw/zinc/57/01/40/813570140.db2.gz MLOUCWWKLBVVBX-QLFBSQMISA-N 2 1 283.460 2.001 20 0 CEADMP c1nc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c[nH]1 ZINC000397628817 813629147 /nfs/dbraw/zinc/62/91/47/813629147.db2.gz ZOECQVSEIWCVHI-UHFFFAOYSA-N 2 1 284.407 2.412 20 0 CEADMP C[C@@H]1C[C@H](NCCC(C)(C)[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398162519 813660712 /nfs/dbraw/zinc/66/07/12/813660712.db2.gz CMZFVFSADWLEFR-ZBFHGGJFSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])CN1Cc1ccccc1 ZINC000398162519 813660715 /nfs/dbraw/zinc/66/07/15/813660715.db2.gz CMZFVFSADWLEFR-ZBFHGGJFSA-N 2 1 275.440 2.366 20 0 CEADMP CCCC[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CC[C@H]2C)CC[NH2+]1 ZINC001246119379 813707028 /nfs/dbraw/zinc/70/70/28/813707028.db2.gz JZDHKVBRPKZLCB-KLHDSHLOSA-N 3 1 267.461 2.132 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997809 813717135 /nfs/dbraw/zinc/71/71/35/813717135.db2.gz ZBHITMCCJPDHDZ-HNNXBMFYSA-N 2 1 297.487 2.249 20 0 CEADMP CC(C)(C)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246207178 813728725 /nfs/dbraw/zinc/72/87/25/813728725.db2.gz XGPZIFOGYOLFFA-YIYPIFLZSA-N 3 1 253.434 2.013 20 0 CEADMP COC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001255561380 813741677 /nfs/dbraw/zinc/74/16/77/813741677.db2.gz BBZLUVJHDUUSGX-KBPBESRZSA-N 2 1 250.386 2.118 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C[NH2+]1 ZINC001246254410 813753226 /nfs/dbraw/zinc/75/32/26/813753226.db2.gz GWSLUHJNACWEDQ-PWSUYJOCSA-N 2 1 288.313 2.468 20 0 CEADMP COc1cccc(C2([NH2+][C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC001246364356 813800629 /nfs/dbraw/zinc/80/06/29/813800629.db2.gz VSZXWBAVWSLFQG-OCCSQVGLSA-N 2 1 260.381 2.414 20 0 CEADMP CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074686133 813844044 /nfs/dbraw/zinc/84/40/44/813844044.db2.gz RBJYFQRUCSAZDY-JYJNAYRXSA-N 2 1 295.471 2.238 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4c[nH]nc43)C[C@H]2CC1 ZINC001276390325 813856937 /nfs/dbraw/zinc/85/69/37/813856937.db2.gz GXLHHXAHTYCLGT-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc4c[nH]nc43)C[C@H]2CC1 ZINC001276390325 813856948 /nfs/dbraw/zinc/85/69/48/813856948.db2.gz GXLHHXAHTYCLGT-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc4c[nH]nc43)C[C@H]2CC1 ZINC001276390325 813856957 /nfs/dbraw/zinc/85/69/57/813856957.db2.gz GXLHHXAHTYCLGT-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP COc1cccc(C[C@H](C)[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001246539794 813949144 /nfs/dbraw/zinc/94/91/44/813949144.db2.gz ISKVVHUMJNTEBW-KCQAQPDRSA-N 2 1 262.397 2.153 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@H+](C2CCCCCCC2)CC1 ZINC001246542159 813955176 /nfs/dbraw/zinc/95/51/76/813955176.db2.gz JGPRTOVQOJLPDG-OAHLLOKOSA-N 2 1 254.418 2.275 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(O)c3C)C[C@@H]2C1 ZINC001144120841 813962470 /nfs/dbraw/zinc/96/24/70/813962470.db2.gz ARUVWKRCZCKQRM-IYBDPMFKSA-N 2 1 274.408 2.474 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(O)c3C)C[C@@H]2C1 ZINC001144120841 813962478 /nfs/dbraw/zinc/96/24/78/813962478.db2.gz ARUVWKRCZCKQRM-IYBDPMFKSA-N 2 1 274.408 2.474 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(O)c3C)C[C@@H]2C1 ZINC001144120841 813962484 /nfs/dbraw/zinc/96/24/84/813962484.db2.gz ARUVWKRCZCKQRM-IYBDPMFKSA-N 2 1 274.408 2.474 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(O)c3C)C[C@@H]2C1 ZINC001144120841 813962491 /nfs/dbraw/zinc/96/24/91/813962491.db2.gz ARUVWKRCZCKQRM-IYBDPMFKSA-N 2 1 274.408 2.474 20 0 CEADMP CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001100188035 814070447 /nfs/dbraw/zinc/07/04/47/814070447.db2.gz XEEQMPWKQCRXOH-GPANFISMSA-N 2 1 295.471 2.145 20 0 CEADMP CCCCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100411761 814109129 /nfs/dbraw/zinc/10/91/29/814109129.db2.gz RQQAYPIWNBFCKV-UHFFFAOYSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCC3(CC2)OCCO3)CC1 ZINC001246577808 814129726 /nfs/dbraw/zinc/12/97/26/814129726.db2.gz PVBLZBVQXKFHIU-OAHLLOKOSA-N 2 1 282.428 2.123 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)C[C@H](C)O1 ZINC001246578488 814136099 /nfs/dbraw/zinc/13/60/99/814136099.db2.gz REOKYZOIAGLNIP-XGUBFFRZSA-N 2 1 254.418 2.393 20 0 CEADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCCC3(CCCCC3)C2)C[C@@H]1O ZINC001246579589 814139592 /nfs/dbraw/zinc/13/95/92/814139592.db2.gz FVKQZCLDJCMZLX-ZNMIVQPWSA-N 2 1 266.429 2.131 20 0 CEADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC001246579356 814140623 /nfs/dbraw/zinc/14/06/23/814140623.db2.gz DRJJZZONCIPGGY-CABCVRRESA-N 2 1 282.428 2.123 20 0 CEADMP [NH3+][C@@H]1CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)CC[C@@H]1F ZINC001246589070 814179499 /nfs/dbraw/zinc/17/94/99/814179499.db2.gz RCGJUQQXXYCBAE-OWCLPIDISA-N 2 1 283.435 2.155 20 0 CEADMP COc1cccc([C@H](C)C[NH2+]C2CC[NH+](C)CC2)c1 ZINC001256201698 814183532 /nfs/dbraw/zinc/18/35/32/814183532.db2.gz LAANBTLUGAEEPC-CYBMUJFWSA-N 2 1 262.397 2.483 20 0 CEADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246638137 814236746 /nfs/dbraw/zinc/23/67/46/814236746.db2.gz BIGYXIGBUXYDGA-XHSDSOJGSA-N 2 1 267.461 2.229 20 0 CEADMP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146331881 814274506 /nfs/dbraw/zinc/27/45/06/814274506.db2.gz DRBMPKCUXRVYAU-UONOGXRCSA-N 2 1 294.443 2.255 20 0 CEADMP CC[C@@H](C)C[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102496101 814391842 /nfs/dbraw/zinc/39/18/42/814391842.db2.gz DFTYRJQNSKNXFU-BZUAXINKSA-N 2 1 297.487 2.058 20 0 CEADMP CC[C@@H](C)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102496101 814391832 /nfs/dbraw/zinc/39/18/32/814391832.db2.gz DFTYRJQNSKNXFU-BZUAXINKSA-N 2 1 297.487 2.058 20 0 CEADMP CC[C@@H](C)C[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102496101 814391852 /nfs/dbraw/zinc/39/18/52/814391852.db2.gz DFTYRJQNSKNXFU-BZUAXINKSA-N 2 1 297.487 2.058 20 0 CEADMP C[N@@H+]([C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCCC[C@H]1N ZINC001246921864 814412942 /nfs/dbraw/zinc/41/29/42/814412942.db2.gz SWQJKBANMNLYII-WCVJEAGWSA-N 2 1 265.445 2.110 20 0 CEADMP CC1(C)C[C@H]([N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CCO1 ZINC001247014958 814519407 /nfs/dbraw/zinc/51/94/07/814519407.db2.gz MUJABQNTHRAWCX-MJBXVCDLSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)C[C@H]([N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CCO1 ZINC001247014958 814519411 /nfs/dbraw/zinc/51/94/11/814519411.db2.gz MUJABQNTHRAWCX-MJBXVCDLSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1cc(N(C)C)[nH+]cc1-n1cc2ccc(C[NH3+])cc2n1 ZINC001171325170 814545645 /nfs/dbraw/zinc/54/56/45/814545645.db2.gz XDEWGIQRTDYEAJ-UHFFFAOYSA-N 2 1 281.363 2.254 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCC1CCCCC1 ZINC001148638708 814599834 /nfs/dbraw/zinc/59/98/34/814599834.db2.gz OIBVSVHXPCVVNP-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)C1CCCCC1 ZINC000695131079 814638334 /nfs/dbraw/zinc/63/83/34/814638334.db2.gz GSWGYJGTOATACQ-BPLDGKMQSA-N 2 1 254.418 2.312 20 0 CEADMP CC(C)O[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697027781 814645451 /nfs/dbraw/zinc/64/54/51/814645451.db2.gz IOJWGUHBQFJBOI-CABCVRRESA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC001173113598 815583532 /nfs/dbraw/zinc/58/35/32/815583532.db2.gz WKRGWNJOEUVTCT-ZGRYLRDCSA-N 2 1 279.472 2.275 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCN(C(C)=O)[C@@H](C)C2)CC1 ZINC001173113252 815583801 /nfs/dbraw/zinc/58/38/01/815583801.db2.gz LVGNFOMRUZVZDX-OOHWJJMZSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C[C@@H]1C[NH3+] ZINC000712452129 814748308 /nfs/dbraw/zinc/74/83/08/814748308.db2.gz MFDKYSTZHQPYBJ-RDBSUJKOSA-N 2 1 252.402 2.005 20 0 CEADMP C[N@@H+](C[C@@H]1CCC2(CCC2)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000712465050 814750193 /nfs/dbraw/zinc/75/01/93/814750193.db2.gz QXIKWBWTUJEMCN-IXXDHKBRSA-N 2 1 264.413 2.303 20 0 CEADMP C([C@H]1CCC2(CCC2)O1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000712503554 814751742 /nfs/dbraw/zinc/75/17/42/814751742.db2.gz OOXPDBGYEBIKGV-CABCVRRESA-N 2 1 264.413 2.164 20 0 CEADMP CC1(C)CC[C@H](C[N@@H+]2CCCCC[C@H]([NH3+])C2)OC1 ZINC000713586724 814866487 /nfs/dbraw/zinc/86/64/87/814866487.db2.gz MYFXXQFHUDOYNA-UONOGXRCSA-N 2 1 254.418 2.395 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CCCCC[C@H]([NH3+])C2)OC1 ZINC000713586724 814866495 /nfs/dbraw/zinc/86/64/95/814866495.db2.gz MYFXXQFHUDOYNA-UONOGXRCSA-N 2 1 254.418 2.395 20 0 CEADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)O1 ZINC000714378401 814889973 /nfs/dbraw/zinc/88/99/73/814889973.db2.gz AWKNFDRWOXAOCO-ZFWWWQNUSA-N 2 1 252.402 2.020 20 0 CEADMP CC1(C)CCC[C@@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)O1 ZINC000714362830 814899011 /nfs/dbraw/zinc/89/90/11/814899011.db2.gz QZIKLRRBQGJXQZ-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP CCCC[C@@H](CC(C)C)[NH2+]CCC[N@@H+](C)CCO ZINC001173258526 815642680 /nfs/dbraw/zinc/64/26/80/815642680.db2.gz VQUHCDDKGKEXLX-HNNXBMFYSA-N 2 1 258.450 2.495 20 0 CEADMP COc1c(C)cccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206197082 815652107 /nfs/dbraw/zinc/65/21/07/815652107.db2.gz GESHKFIVCVDWOT-UONOGXRCSA-N 2 1 266.360 2.265 20 0 CEADMP CC[N@H+]1CC[C@H](n2c3ccccc3nc2[C@H](C)[NH3+])C1 ZINC001173347894 815684035 /nfs/dbraw/zinc/68/40/35/815684035.db2.gz ICJKCQBBQGAQSR-RYUDHWBXSA-N 2 1 258.369 2.323 20 0 CEADMP CC[N@H+]1CC[C@H](N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)C1 ZINC001173355827 815696152 /nfs/dbraw/zinc/69/61/52/815696152.db2.gz XOZZWVXRFZDFJE-LESVLKBLSA-N 2 1 291.483 2.310 20 0 CEADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001173356109 815697574 /nfs/dbraw/zinc/69/75/74/815697574.db2.gz FEIVQMSSQFKXRM-FUHWJXTLSA-N 2 1 291.483 2.491 20 0 CEADMP CCN1CC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001173356109 815697578 /nfs/dbraw/zinc/69/75/78/815697578.db2.gz FEIVQMSSQFKXRM-FUHWJXTLSA-N 2 1 291.483 2.491 20 0 CEADMP CC[N@H+]1CC[C@H](N2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001173364626 815702649 /nfs/dbraw/zinc/70/26/49/815702649.db2.gz XNMBRXJBRKXUIX-SJORKVTESA-N 2 1 279.472 2.421 20 0 CEADMP CN1CCC[C@H]2C[N@H+](C3Cc4cc(F)c(F)cc4C3)C[C@@H]21 ZINC001173481940 815728485 /nfs/dbraw/zinc/72/84/85/815728485.db2.gz QOKDVZVKNXXKNA-GTNSWQLSSA-N 2 1 292.373 2.458 20 0 CEADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](C)C[C@H](C)C[NH3+])CC2 ZINC001173606791 815760890 /nfs/dbraw/zinc/76/08/90/815760890.db2.gz RAKCONHXIFFGFM-ILTLLKDXSA-N 2 1 282.428 2.025 20 0 CEADMP COC[C@H]1CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138552024 815826337 /nfs/dbraw/zinc/82/63/37/815826337.db2.gz VLYYDEQDFMXXLL-MRXNPFEDSA-N 2 1 271.364 2.401 20 0 CEADMP COC[C@H]1CC[N@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138552024 815826343 /nfs/dbraw/zinc/82/63/43/815826343.db2.gz VLYYDEQDFMXXLL-MRXNPFEDSA-N 2 1 271.364 2.401 20 0 CEADMP C[NH+]1CCN(c2c(F)cccc2Nc2cc[nH+]cc2)CC1 ZINC001173884677 815852171 /nfs/dbraw/zinc/85/21/71/815852171.db2.gz WDERSVCCCIMXDO-UHFFFAOYSA-N 2 1 286.354 2.138 20 0 CEADMP CCN1CCC([N@H+](C)Cc2cnc3[nH]ccc3c2)CC1 ZINC001138740525 815886031 /nfs/dbraw/zinc/88/60/31/815886031.db2.gz ARPDWTJZLISYGA-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CCN1CCC([N@@H+](C)Cc2cnc3[nH]ccc3c2)CC1 ZINC001138740525 815886039 /nfs/dbraw/zinc/88/60/39/815886039.db2.gz ARPDWTJZLISYGA-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2cnc3[nH]ccc3c2)CC1 ZINC001138740525 815886044 /nfs/dbraw/zinc/88/60/44/815886044.db2.gz ARPDWTJZLISYGA-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2cnc3[nH]ccc3c2)CC1 ZINC001138740525 815886051 /nfs/dbraw/zinc/88/60/51/815886051.db2.gz ARPDWTJZLISYGA-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP Cn1ncc2ccc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc21 ZINC001139907826 816137343 /nfs/dbraw/zinc/13/73/43/816137343.db2.gz OPUWPYSDNWMBNX-KRWDZBQOSA-N 2 1 284.407 2.101 20 0 CEADMP Cn1ncc2ccc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc21 ZINC001139907826 816137345 /nfs/dbraw/zinc/13/73/45/816137345.db2.gz OPUWPYSDNWMBNX-KRWDZBQOSA-N 2 1 284.407 2.101 20 0 CEADMP Cn1ncc2ccc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cc21 ZINC001139907826 816137350 /nfs/dbraw/zinc/13/73/50/816137350.db2.gz OPUWPYSDNWMBNX-KRWDZBQOSA-N 2 1 284.407 2.101 20 0 CEADMP Cn1ncc2ccc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)cc21 ZINC001139907826 816137355 /nfs/dbraw/zinc/13/73/55/816137355.db2.gz OPUWPYSDNWMBNX-KRWDZBQOSA-N 2 1 284.407 2.101 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4cnn(C)c4c3)C[C@@H]2C1 ZINC001139911111 816138361 /nfs/dbraw/zinc/13/83/61/816138361.db2.gz JCBSIKSZAYQWBF-CALCHBBNSA-N 2 1 298.434 2.347 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4cnn(C)c4c3)C[C@@H]2C1 ZINC001139911111 816138365 /nfs/dbraw/zinc/13/83/65/816138365.db2.gz JCBSIKSZAYQWBF-CALCHBBNSA-N 2 1 298.434 2.347 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4cnn(C)c4c3)C[C@@H]2C1 ZINC001139911111 816138371 /nfs/dbraw/zinc/13/83/71/816138371.db2.gz JCBSIKSZAYQWBF-CALCHBBNSA-N 2 1 298.434 2.347 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4cnn(C)c4c3)C[C@@H]2C1 ZINC001139911111 816138377 /nfs/dbraw/zinc/13/83/77/816138377.db2.gz JCBSIKSZAYQWBF-CALCHBBNSA-N 2 1 298.434 2.347 20 0 CEADMP CN(Cc1cccnn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139971100 816152999 /nfs/dbraw/zinc/15/29/99/816152999.db2.gz BXZRJKHKWXRMLJ-KRWDZBQOSA-N 2 1 296.418 2.431 20 0 CEADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175262602 816164310 /nfs/dbraw/zinc/16/43/10/816164310.db2.gz IHGUUAYJLAEZRL-GJZGRUSLSA-N 2 1 283.460 2.001 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[NH2+]C[C@H](C)C2)cc1C ZINC001206269871 816396049 /nfs/dbraw/zinc/39/60/49/816396049.db2.gz XBSSOTPZFVREAW-LBPRGKRZSA-N 2 1 262.397 2.353 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[NH2+]C[C@H](C)C2)cc1C ZINC001206269871 816396056 /nfs/dbraw/zinc/39/60/56/816396056.db2.gz XBSSOTPZFVREAW-LBPRGKRZSA-N 2 1 262.397 2.353 20 0 CEADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)ns1 ZINC001249588069 816396222 /nfs/dbraw/zinc/39/62/22/816396222.db2.gz ACFLOLDMDZDMOA-UHFFFAOYSA-N 2 1 265.426 2.369 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC001177245593 816536518 /nfs/dbraw/zinc/53/65/18/816536518.db2.gz YYETWMSGNPTOPW-FICVDOATSA-N 2 1 256.434 2.369 20 0 CEADMP Cc1cc(CNC2CC[NH+](C)CC2)cc(Cl)n1 ZINC000401805092 816576061 /nfs/dbraw/zinc/57/60/61/816576061.db2.gz AQGIOMRXVNFVJM-UHFFFAOYSA-N 2 1 253.777 2.227 20 0 CEADMP CC[C@H]1C[N@@H+](CCOc2ccccc2C)CC[C@@H]1[NH3+] ZINC000122712976 816579846 /nfs/dbraw/zinc/57/98/46/816579846.db2.gz OWXRHWJMZZWBMG-GJZGRUSLSA-N 2 1 262.397 2.433 20 0 CEADMP Cc1nn(C)c(Cl)c1C[NH2+]CCCCn1cc[nH+]c1C ZINC001177912321 816642182 /nfs/dbraw/zinc/64/21/82/816642182.db2.gz PCLHSQDNFVXBLG-UHFFFAOYSA-N 2 1 295.818 2.457 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccnc4[nH]ccc43)C2)CC1 ZINC001142882354 816747443 /nfs/dbraw/zinc/74/74/43/816747443.db2.gz LDAWXJWIBNBCDR-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP COc1cc(C)cc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC001143150634 816792196 /nfs/dbraw/zinc/79/21/96/816792196.db2.gz SHUYHRCPZIJTME-UHFFFAOYSA-N 2 1 250.386 2.387 20 0 CEADMP COCC1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000449069768 282087724 /nfs/dbraw/zinc/08/77/24/282087724.db2.gz IFCJKNLRUILMSZ-UHFFFAOYSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1(C)CC1 ZINC000124502177 187139980 /nfs/dbraw/zinc/13/99/80/187139980.db2.gz FQDSWSICNBNKSO-AWEZNQCLSA-N 2 1 267.461 2.038 20 0 CEADMP COC1(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCCCC1 ZINC000336313544 365554731 /nfs/dbraw/zinc/55/47/31/365554731.db2.gz WDYSJNVURMONGP-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP COC1(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CCCCC1 ZINC000336313544 365554734 /nfs/dbraw/zinc/55/47/34/365554734.db2.gz WDYSJNVURMONGP-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP COC1(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CCCCC1 ZINC000336313544 365554737 /nfs/dbraw/zinc/55/47/37/365554737.db2.gz WDYSJNVURMONGP-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000121458882 365572161 /nfs/dbraw/zinc/57/21/61/365572161.db2.gz YHILVGQFIFVZHV-ORIJERBGSA-N 2 1 278.444 2.146 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000121458882 365572165 /nfs/dbraw/zinc/57/21/65/365572165.db2.gz YHILVGQFIFVZHV-ORIJERBGSA-N 3 1 278.444 2.146 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000121458882 365572173 /nfs/dbraw/zinc/57/21/73/365572173.db2.gz YHILVGQFIFVZHV-ORIJERBGSA-N 3 1 278.444 2.146 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+]2CCCC[C@@H]2C1 ZINC000336524954 365596297 /nfs/dbraw/zinc/59/62/97/365596297.db2.gz ZUTJLQOSNIOCPE-HZPDHXFCSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000336524954 365596301 /nfs/dbraw/zinc/59/63/01/365596301.db2.gz ZUTJLQOSNIOCPE-HZPDHXFCSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000336524954 365596304 /nfs/dbraw/zinc/59/63/04/365596304.db2.gz ZUTJLQOSNIOCPE-HZPDHXFCSA-N 2 1 265.445 2.031 20 0 CEADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000336525831 365596879 /nfs/dbraw/zinc/59/68/79/365596879.db2.gz HPPQACUEYBBVCD-BLLLJJGKSA-N 2 1 272.396 2.335 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c[nH]nc2c1 ZINC000336525831 365596884 /nfs/dbraw/zinc/59/68/84/365596884.db2.gz HPPQACUEYBBVCD-BLLLJJGKSA-N 2 1 272.396 2.335 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c[nH]nc2c1 ZINC000336525831 365596889 /nfs/dbraw/zinc/59/68/89/365596889.db2.gz HPPQACUEYBBVCD-BLLLJJGKSA-N 2 1 272.396 2.335 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000336525831 365596893 /nfs/dbraw/zinc/59/68/93/365596893.db2.gz HPPQACUEYBBVCD-BLLLJJGKSA-N 2 1 272.396 2.335 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000449132010 282112706 /nfs/dbraw/zinc/11/27/06/282112706.db2.gz RADXFILWJJTXBI-QPSCCSFWSA-N 2 1 254.418 2.262 20 0 CEADMP CC(C)COCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127778035 187332668 /nfs/dbraw/zinc/33/26/68/187332668.db2.gz HJZVCZWQNWJMEN-HUUCEWRRSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1noc([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000124980446 187164023 /nfs/dbraw/zinc/16/40/23/187164023.db2.gz QDLBPEVJZYYYHW-KGLIPLIRSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1noc([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000124980446 187164024 /nfs/dbraw/zinc/16/40/24/187164024.db2.gz QDLBPEVJZYYYHW-KGLIPLIRSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1noc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000124980446 187164025 /nfs/dbraw/zinc/16/40/25/187164025.db2.gz QDLBPEVJZYYYHW-KGLIPLIRSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1noc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000124980446 187164026 /nfs/dbraw/zinc/16/40/26/187164026.db2.gz QDLBPEVJZYYYHW-KGLIPLIRSA-N 2 1 278.400 2.042 20 0 CEADMP CC(C)[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CC1 ZINC000124523089 365653644 /nfs/dbraw/zinc/65/36/44/365653644.db2.gz NZERNPVCICDEOT-KRWDZBQOSA-N 2 1 281.488 2.284 20 0 CEADMP CN(CCC[N@@H+](C)Cc1cncc(Cl)c1)CC[NH+](C)C ZINC000621296382 349551572 /nfs/dbraw/zinc/55/15/72/349551572.db2.gz QFVWOSTXYGTXQH-UHFFFAOYSA-N 2 1 298.862 2.050 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000621331628 349563190 /nfs/dbraw/zinc/56/31/90/349563190.db2.gz IEPFIGQENBRTNG-AWEZNQCLSA-N 2 1 277.412 2.300 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000621331628 349563197 /nfs/dbraw/zinc/56/31/97/349563197.db2.gz IEPFIGQENBRTNG-AWEZNQCLSA-N 2 1 277.412 2.300 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601333894 346822927 /nfs/dbraw/zinc/82/29/27/346822927.db2.gz IBLSLWHIYVPYDT-HOTGVXAUSA-N 2 1 288.391 2.047 20 0 CEADMP COC(=O)c1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000601334908 346823758 /nfs/dbraw/zinc/82/37/58/346823758.db2.gz OGZPZWBGMFEBAQ-JKSUJKDBSA-N 2 1 288.391 2.047 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000601334908 346823759 /nfs/dbraw/zinc/82/37/59/346823759.db2.gz OGZPZWBGMFEBAQ-JKSUJKDBSA-N 2 1 288.391 2.047 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000036757095 361855902 /nfs/dbraw/zinc/85/59/02/361855902.db2.gz GVVYKNUMTBIBRF-CVEARBPZSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000125441276 187184399 /nfs/dbraw/zinc/18/43/99/187184399.db2.gz WVPROAVUIIKBAY-QWHCGFSZSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000125441276 187184400 /nfs/dbraw/zinc/18/44/00/187184400.db2.gz WVPROAVUIIKBAY-QWHCGFSZSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000125465746 187185592 /nfs/dbraw/zinc/18/55/92/187185592.db2.gz KRJOLPLLFGKPHI-OAHLLOKOSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000125465746 187185593 /nfs/dbraw/zinc/18/55/93/187185593.db2.gz KRJOLPLLFGKPHI-OAHLLOKOSA-N 2 1 277.412 2.473 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000037644632 361917231 /nfs/dbraw/zinc/91/72/31/361917231.db2.gz VCORRUJJUTWUOT-ZDUSSCGKSA-N 2 1 264.417 2.070 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000037644632 361917240 /nfs/dbraw/zinc/91/72/40/361917240.db2.gz VCORRUJJUTWUOT-ZDUSSCGKSA-N 2 1 264.417 2.070 20 0 CEADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2ccccn2)C1 ZINC000350744730 219056407 /nfs/dbraw/zinc/05/64/07/219056407.db2.gz BLMOSCWOSRBBFG-INIZCTEOSA-N 2 1 273.424 2.288 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2ccccn2)C1 ZINC000350744730 219056409 /nfs/dbraw/zinc/05/64/09/219056409.db2.gz BLMOSCWOSRBBFG-INIZCTEOSA-N 2 1 273.424 2.288 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000350744730 219056411 /nfs/dbraw/zinc/05/64/11/219056411.db2.gz BLMOSCWOSRBBFG-INIZCTEOSA-N 2 1 273.424 2.288 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000350744730 219056412 /nfs/dbraw/zinc/05/64/12/219056412.db2.gz BLMOSCWOSRBBFG-INIZCTEOSA-N 2 1 273.424 2.288 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc2cc(C)ccn12 ZINC000337949140 214326525 /nfs/dbraw/zinc/32/65/25/214326525.db2.gz MQZMSYFJKMJQFT-UHFFFAOYSA-N 2 1 283.379 2.328 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](CO)CC2CCCC2)CC1 ZINC000338014160 214360647 /nfs/dbraw/zinc/36/06/47/214360647.db2.gz GFAPNGMXBNLZBS-OAHLLOKOSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+](CCNC(=O)CC[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000621642227 349650310 /nfs/dbraw/zinc/65/03/10/349650310.db2.gz IAYXQAHBBYRDNH-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000097996875 529430638 /nfs/dbraw/zinc/43/06/38/529430638.db2.gz IUSGLUADGMNBTO-KURKYZTESA-N 2 1 288.435 2.461 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000097996875 529430640 /nfs/dbraw/zinc/43/06/40/529430640.db2.gz IUSGLUADGMNBTO-KURKYZTESA-N 2 1 288.435 2.461 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@H](C)O1 ZINC000449298014 282177236 /nfs/dbraw/zinc/17/72/36/282177236.db2.gz ILLJJDZAGAPPPJ-MMFDQKDXSA-N 2 1 252.402 2.159 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCOC(C)(C)C ZINC000676716691 539168034 /nfs/dbraw/zinc/16/80/34/539168034.db2.gz ANHMPTFBTNNFLO-PMPSAXMXSA-N 2 1 298.471 2.375 20 0 CEADMP CN1CC(C[N@H+](C)Cc2ncccc2C(F)(F)F)C1 ZINC000668539925 539193927 /nfs/dbraw/zinc/19/39/27/539193927.db2.gz QBKVDHXQCZUACR-UHFFFAOYSA-N 2 1 273.302 2.094 20 0 CEADMP CN1CC(C[N@@H+](C)Cc2ncccc2C(F)(F)F)C1 ZINC000668539925 539193928 /nfs/dbraw/zinc/19/39/28/539193928.db2.gz QBKVDHXQCZUACR-UHFFFAOYSA-N 2 1 273.302 2.094 20 0 CEADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cnn(C)c1 ZINC000125914810 187204836 /nfs/dbraw/zinc/20/48/36/187204836.db2.gz BMZWNTBAWDCJRM-JSGCOSHPSA-N 2 1 266.433 2.437 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)C1CC[NH+](C)CC1 ZINC000125547718 539219161 /nfs/dbraw/zinc/21/91/61/539219161.db2.gz RSIACUHMWZZUFH-CQSZACIVSA-N 3 1 267.461 2.181 20 0 CEADMP COc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621777672 349699691 /nfs/dbraw/zinc/69/96/91/349699691.db2.gz DYEUZWDNGYHAHD-HOCLYGCPSA-N 2 1 260.381 2.051 20 0 CEADMP COc1ccc(CC[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621777672 349699692 /nfs/dbraw/zinc/69/96/92/349699692.db2.gz DYEUZWDNGYHAHD-HOCLYGCPSA-N 2 1 260.381 2.051 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000668595816 539206922 /nfs/dbraw/zinc/20/69/22/539206922.db2.gz ANTVQXXKACMTOM-WBVHZDCISA-N 2 1 298.390 2.044 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCOCCc1ccccc1)C2 ZINC000621779182 349700486 /nfs/dbraw/zinc/70/04/86/349700486.db2.gz BHAUYRXGIKOEKE-QZTJIDSGSA-N 2 1 288.435 2.449 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCOCc1ccccc1)C2 ZINC000621784148 349702292 /nfs/dbraw/zinc/70/22/92/349702292.db2.gz KQUNZISGLOPTDW-IAGOWNOFSA-N 2 1 274.408 2.407 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCCC1CCOCC1)C2 ZINC000621784537 349702897 /nfs/dbraw/zinc/70/28/97/349702897.db2.gz QFQQHIFHZLXGAU-HZPDHXFCSA-N 2 1 266.429 2.397 20 0 CEADMP C[C@H]1OCC[N@@H+](CCCCC[NH+]2CCO[C@@H](C)[C@@H]2C)[C@H]1C ZINC000139136278 539226587 /nfs/dbraw/zinc/22/65/87/539226587.db2.gz NVLZNECMNXBIHR-LUKYLMHMSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@H]1OCC[NH+](CCCCC[N@@H+]2CCO[C@@H](C)[C@@H]2C)[C@H]1C ZINC000139136278 539226588 /nfs/dbraw/zinc/22/65/88/539226588.db2.gz NVLZNECMNXBIHR-LUKYLMHMSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@H]1OCC[NH+](CCCCC[N@H+]2CCO[C@@H](C)[C@@H]2C)[C@H]1C ZINC000139136278 539226589 /nfs/dbraw/zinc/22/65/89/539226589.db2.gz NVLZNECMNXBIHR-LUKYLMHMSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CCCCC2)CC[N@H+]1C ZINC000123274348 539228499 /nfs/dbraw/zinc/22/84/99/539228499.db2.gz XYGLYNUUWDGTTK-KGLIPLIRSA-N 2 1 254.418 2.002 20 0 CEADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000449349655 282196781 /nfs/dbraw/zinc/19/67/81/282196781.db2.gz XLHRNKQVTRQPTB-IJEWVQPXSA-N 2 1 293.455 2.027 20 0 CEADMP C[C@@H](O)C1([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000668702843 539240977 /nfs/dbraw/zinc/24/09/77/539240977.db2.gz RASVGWKDKPHXGO-UXLLHSPISA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H](O)C1([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000668702846 539241155 /nfs/dbraw/zinc/24/11/55/539241155.db2.gz RASVGWKDKPHXGO-ZOBUZTSGSA-N 2 1 288.435 2.400 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000127676136 539249141 /nfs/dbraw/zinc/24/91/41/539249141.db2.gz HAIYDSOBAPLSQZ-ZIAGYGMSSA-N 3 1 255.450 2.037 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC000622004323 349764628 /nfs/dbraw/zinc/76/46/28/349764628.db2.gz NKGLBGYXSGTQAG-SJLPKXTDSA-N 2 1 286.419 2.367 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2cccnc21 ZINC000311868584 539286761 /nfs/dbraw/zinc/28/67/61/539286761.db2.gz SNQKTHFMXXGAHK-CQSZACIVSA-N 2 1 256.353 2.254 20 0 CEADMP CC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126715589 187257625 /nfs/dbraw/zinc/25/76/25/187257625.db2.gz YGNYKWHHLCVSFS-HNNXBMFYSA-N 2 1 275.440 2.322 20 0 CEADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000335741396 136377432 /nfs/dbraw/zinc/37/74/32/136377432.db2.gz BEAOPJAFHYQZDS-UHFFFAOYSA-N 2 1 257.337 2.305 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000336688421 365759882 /nfs/dbraw/zinc/75/98/82/365759882.db2.gz HFSWWHJBLMZURN-NEPJUHHUSA-N 2 1 253.415 2.407 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000336688421 365759885 /nfs/dbraw/zinc/75/98/85/365759885.db2.gz HFSWWHJBLMZURN-NEPJUHHUSA-N 2 1 253.415 2.407 20 0 CEADMP COCC(COC)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449541601 282277486 /nfs/dbraw/zinc/27/74/86/282277486.db2.gz KOMDRSKSCQCABA-UHFFFAOYSA-N 2 1 284.444 2.035 20 0 CEADMP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000414321592 529755860 /nfs/dbraw/zinc/75/58/60/529755860.db2.gz CXKIZKCAMDFPGL-AWEZNQCLSA-N 2 1 276.428 2.249 20 0 CEADMP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000414321592 529755861 /nfs/dbraw/zinc/75/58/61/529755861.db2.gz CXKIZKCAMDFPGL-AWEZNQCLSA-N 2 1 276.428 2.249 20 0 CEADMP CSC[C@H]1CCC[N@@H+](CCn2ccnc2C)C1 ZINC000336715239 365778265 /nfs/dbraw/zinc/77/82/65/365778265.db2.gz PJHDUARFIMGLKN-ZDUSSCGKSA-N 2 1 253.415 2.267 20 0 CEADMP CC[C@H]1C[N@@H+](CCCn2ccnc2C)C[C@H](C)O1 ZINC000336717417 365779305 /nfs/dbraw/zinc/77/93/05/365779305.db2.gz TVGDSLFFIUVNMQ-JSGCOSHPSA-N 2 1 251.374 2.081 20 0 CEADMP CC[C@H]1C[N@@H+](CCCn2cc[nH+]c2C)C[C@H](C)O1 ZINC000336717417 365779313 /nfs/dbraw/zinc/77/93/13/365779313.db2.gz TVGDSLFFIUVNMQ-JSGCOSHPSA-N 2 1 251.374 2.081 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000449560120 282283225 /nfs/dbraw/zinc/28/32/25/282283225.db2.gz GILNUTDAOXDOBV-WWTUQBGBSA-N 2 1 289.423 2.236 20 0 CEADMP COC[C@@H](CC(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560646 282283386 /nfs/dbraw/zinc/28/33/86/282283386.db2.gz NZFYUELDGXXVST-NUDNTCICSA-N 2 1 254.418 2.262 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCOC2)C[C@H]1C ZINC000336724357 365786710 /nfs/dbraw/zinc/78/67/10/365786710.db2.gz ZXHOXAMIEAGIOC-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP CCOc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000336730726 365791072 /nfs/dbraw/zinc/79/10/72/365791072.db2.gz QCVKWMYGMJKHGG-UHFFFAOYSA-N 2 1 250.386 2.469 20 0 CEADMP CCOc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000336730726 365791075 /nfs/dbraw/zinc/79/10/75/365791075.db2.gz QCVKWMYGMJKHGG-UHFFFAOYSA-N 2 1 250.386 2.469 20 0 CEADMP C[C@@H](CCC[NH3+])NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000449573968 282288873 /nfs/dbraw/zinc/28/88/73/282288873.db2.gz UXDQSEWIFLPBNI-SMDDNHRTSA-N 2 1 297.830 2.186 20 0 CEADMP CCC[N@@H+](C[C@@H]1CCCC[C@H]1O)C1CC[NH2+]CC1 ZINC000328512228 539352274 /nfs/dbraw/zinc/35/22/74/539352274.db2.gz OFFWONYUPSKOAO-DZGCQCFKSA-N 2 1 254.418 2.002 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071400154 343800947 /nfs/dbraw/zinc/80/09/47/343800947.db2.gz UPHQUGIOBQPBDK-CVEARBPZSA-N 2 1 289.423 2.067 20 0 CEADMP C[C@@]1(C[NH2+]Cc2scnc2C2CC2)CCC[NH2+]C1 ZINC000414905052 539365704 /nfs/dbraw/zinc/36/57/04/539365704.db2.gz LBPSZWPZGMRKBN-CQSZACIVSA-N 2 1 265.426 2.500 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@](C)(c2ccccc2)C1)C1CC1 ZINC000351531467 219117467 /nfs/dbraw/zinc/11/74/67/219117467.db2.gz DDYGFBSXLBLLTB-ZWKOTPCHSA-N 2 1 288.435 2.105 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@](C)(c2ccccc2)C1)C1CC1 ZINC000351531467 219117468 /nfs/dbraw/zinc/11/74/68/219117468.db2.gz DDYGFBSXLBLLTB-ZWKOTPCHSA-N 2 1 288.435 2.105 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@](C)(c2ccccc2)C1)C1CC1 ZINC000351531467 219117470 /nfs/dbraw/zinc/11/74/70/219117470.db2.gz DDYGFBSXLBLLTB-ZWKOTPCHSA-N 2 1 288.435 2.105 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@](C)(c2ccccc2)C1)C1CC1 ZINC000351531467 219117471 /nfs/dbraw/zinc/11/74/71/219117471.db2.gz DDYGFBSXLBLLTB-ZWKOTPCHSA-N 2 1 288.435 2.105 20 0 CEADMP CCC(CC)[C@H](CNc1cc[nH+]c(N(C)C)n1)[NH+](C)C ZINC000077188561 343909489 /nfs/dbraw/zinc/90/94/89/343909489.db2.gz MECRTFJDGHWZHR-ZDUSSCGKSA-N 2 1 279.432 2.321 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(C)cc1 ZINC000351574514 219132493 /nfs/dbraw/zinc/13/24/93/219132493.db2.gz OXHLJGFDYKKDDT-IAGOWNOFSA-N 2 1 276.424 2.491 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(C)cc1 ZINC000351574514 219132495 /nfs/dbraw/zinc/13/24/95/219132495.db2.gz OXHLJGFDYKKDDT-IAGOWNOFSA-N 2 1 276.424 2.491 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(C)cc1 ZINC000351574513 219132011 /nfs/dbraw/zinc/13/20/11/219132011.db2.gz OXHLJGFDYKKDDT-DLBZAZTESA-N 2 1 276.424 2.491 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(C)cc1 ZINC000351574513 219132014 /nfs/dbraw/zinc/13/20/14/219132014.db2.gz OXHLJGFDYKKDDT-DLBZAZTESA-N 2 1 276.424 2.491 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000093394722 344222355 /nfs/dbraw/zinc/22/23/55/344222355.db2.gz QNMGGFCSDPZOFO-HNNXBMFYSA-N 2 1 266.429 2.121 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000093770609 344229291 /nfs/dbraw/zinc/22/92/91/344229291.db2.gz AOGPAJDISYSOPP-INIZCTEOSA-N 2 1 299.422 2.041 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000093770609 344229294 /nfs/dbraw/zinc/22/92/94/344229294.db2.gz AOGPAJDISYSOPP-INIZCTEOSA-N 2 1 299.422 2.041 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000093770609 344229296 /nfs/dbraw/zinc/22/92/96/344229296.db2.gz AOGPAJDISYSOPP-INIZCTEOSA-N 2 1 299.422 2.041 20 0 CEADMP Cc1ccccc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000105476969 344256724 /nfs/dbraw/zinc/25/67/24/344256724.db2.gz IWWPNJUYRNBMTC-UHFFFAOYSA-N 2 1 275.440 2.112 20 0 CEADMP CCCOc1ccc(OCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107573281 344261083 /nfs/dbraw/zinc/26/10/83/344261083.db2.gz RCDYRXFFTRHFHV-GJZGRUSLSA-N 2 1 290.407 2.005 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000111300772 344270935 /nfs/dbraw/zinc/27/09/35/344270935.db2.gz BQXWINUSUFHVTE-HNNXBMFYSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000129096929 344340823 /nfs/dbraw/zinc/34/08/23/344340823.db2.gz ZUOGVAJDYNZZPH-NWDGAFQWSA-N 2 1 295.814 2.480 20 0 CEADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000351593768 219138182 /nfs/dbraw/zinc/13/81/82/219138182.db2.gz OTPOCPNHPBVOGR-VNQPRFMTSA-N 2 1 268.445 2.390 20 0 CEADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351593768 219138184 /nfs/dbraw/zinc/13/81/84/219138184.db2.gz OTPOCPNHPBVOGR-VNQPRFMTSA-N 2 1 268.445 2.390 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc([S@](C)=O)cc2)CC1 ZINC000155395955 344437970 /nfs/dbraw/zinc/43/79/70/344437970.db2.gz SSIZNSQPESALJB-HXUWFJFHSA-N 2 1 294.464 2.386 20 0 CEADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccnn1C ZINC000192873678 344517694 /nfs/dbraw/zinc/51/76/94/344517694.db2.gz SKWQPMUZHGNFGT-JSGCOSHPSA-N 2 1 266.433 2.437 20 0 CEADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)CC1CCCC1 ZINC000232129323 344576806 /nfs/dbraw/zinc/57/68/06/344576806.db2.gz VLHGHNIORGCNSZ-GOEBONIOSA-N 2 1 266.429 2.002 20 0 CEADMP CCC(CC)C[N@@H+](CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000051824345 362440357 /nfs/dbraw/zinc/44/03/57/362440357.db2.gz DKUIKFJLTKKPGV-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000234584654 344585539 /nfs/dbraw/zinc/58/55/39/344585539.db2.gz QGXFMFSHUMRHFA-CYBMUJFWSA-N 2 1 294.370 2.044 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000234584654 344585541 /nfs/dbraw/zinc/58/55/41/344585541.db2.gz QGXFMFSHUMRHFA-CYBMUJFWSA-N 2 1 294.370 2.044 20 0 CEADMP Cc1ncsc1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000050285427 362413834 /nfs/dbraw/zinc/41/38/34/362413834.db2.gz DIMYXUKUKWZPDS-FUNVUKJBSA-N 2 1 265.426 2.209 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000261595983 344653358 /nfs/dbraw/zinc/65/33/58/344653358.db2.gz JMZFLEVPAIKDSQ-LZWOXQAQSA-N 2 1 291.439 2.169 20 0 CEADMP C[NH2+]Cc1noc(-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000414507718 530011600 /nfs/dbraw/zinc/01/16/00/530011600.db2.gz ZDYIPOMIRUKZOZ-UHFFFAOYSA-N 2 1 272.352 2.052 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000252215526 344639053 /nfs/dbraw/zinc/63/90/53/344639053.db2.gz ZCMPOVYLXNWXSV-BTTYYORXSA-N 2 1 254.418 2.406 20 0 CEADMP COC1(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CCCC1 ZINC000319234860 344750940 /nfs/dbraw/zinc/75/09/40/344750940.db2.gz VRIAKVVTHVSUIO-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCOCc1ccccc1 ZINC000309963746 344730087 /nfs/dbraw/zinc/73/00/87/344730087.db2.gz JSHGPDBRAKJEHH-HOCLYGCPSA-N 2 1 262.397 2.405 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000319964227 344751195 /nfs/dbraw/zinc/75/11/95/344751195.db2.gz HQWOTRXEKLZWOE-MCIONIFRSA-N 2 1 282.428 2.181 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000311404535 344733749 /nfs/dbraw/zinc/73/37/49/344733749.db2.gz ARSOVQWHTPTFDV-GJZGRUSLSA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000341999450 344771591 /nfs/dbraw/zinc/77/15/91/344771591.db2.gz JLZNKNBRBOJQLZ-QCODTGAPSA-N 2 1 268.445 2.366 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(=O)NC ZINC000449774393 282362297 /nfs/dbraw/zinc/36/22/97/282362297.db2.gz LQYBGUIYMKIURM-KBMXLJTQSA-N 2 1 295.471 2.144 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(C)(C)OC)C1 ZINC000336784491 365802300 /nfs/dbraw/zinc/80/23/00/365802300.db2.gz QKORBSCKHZTQLZ-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(C)(C)OC)C1 ZINC000336784491 365802308 /nfs/dbraw/zinc/80/23/08/365802308.db2.gz QKORBSCKHZTQLZ-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(C)(C)OC)C1 ZINC000336784491 365802318 /nfs/dbraw/zinc/80/23/18/365802318.db2.gz QKORBSCKHZTQLZ-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000568051513 299113638 /nfs/dbraw/zinc/11/36/38/299113638.db2.gz PCURQRGGJJFKAA-MRXNPFEDSA-N 2 1 264.413 2.212 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000568051513 299113641 /nfs/dbraw/zinc/11/36/41/299113641.db2.gz PCURQRGGJJFKAA-MRXNPFEDSA-N 2 1 264.413 2.212 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000568051050 299113816 /nfs/dbraw/zinc/11/38/16/299113816.db2.gz UUHLXUQNZHXZRQ-QZTJIDSGSA-N 2 1 290.451 2.220 20 0 CEADMP CCS[C@H]1CCCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000590603065 345150771 /nfs/dbraw/zinc/15/07/71/345150771.db2.gz PYTYWQIUIXZFGF-GJZGRUSLSA-N 2 1 288.501 2.295 20 0 CEADMP CCS[C@H]1CCCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000590603065 345150775 /nfs/dbraw/zinc/15/07/75/345150775.db2.gz PYTYWQIUIXZFGF-GJZGRUSLSA-N 2 1 288.501 2.295 20 0 CEADMP CCS[C@H]1CCCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000590603065 345150777 /nfs/dbraw/zinc/15/07/77/345150777.db2.gz PYTYWQIUIXZFGF-GJZGRUSLSA-N 2 1 288.501 2.295 20 0 CEADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000591272424 345236912 /nfs/dbraw/zinc/23/69/12/345236912.db2.gz JUDJBNOUEPPEEV-PMPSAXMXSA-N 2 1 296.455 2.430 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nccs1 ZINC000591700519 345274650 /nfs/dbraw/zinc/27/46/50/345274650.db2.gz HVGUNPKRBKUYAO-SNVBAGLBSA-N 2 1 250.371 2.074 20 0 CEADMP COC(=O)c1cccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000592424312 345351886 /nfs/dbraw/zinc/35/18/86/345351886.db2.gz GKNGBVSCXTZJSQ-UHFFFAOYSA-N 2 1 288.391 2.190 20 0 CEADMP COC(=O)c1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000592424312 345351890 /nfs/dbraw/zinc/35/18/90/345351890.db2.gz GKNGBVSCXTZJSQ-UHFFFAOYSA-N 2 1 288.391 2.190 20 0 CEADMP CCSCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592494019 345360394 /nfs/dbraw/zinc/36/03/94/345360394.db2.gz ZKDZVIIRKYNHCN-UONOGXRCSA-N 2 1 256.459 2.451 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492200 345360397 /nfs/dbraw/zinc/36/03/97/345360397.db2.gz VRRWAXXWBBQJDH-LSDHHAIUSA-N 2 1 282.428 2.040 20 0 CEADMP CC(C)OC(=O)C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000594046051 345572715 /nfs/dbraw/zinc/57/27/15/345572715.db2.gz NZQOGJAESRVOHF-CABCVRRESA-N 2 1 284.444 2.427 20 0 CEADMP CCOC(=O)CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C(C)C ZINC000594053730 345574574 /nfs/dbraw/zinc/57/45/74/345574574.db2.gz PFTAWQNERNDGJH-AWEZNQCLSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000594053730 345574577 /nfs/dbraw/zinc/57/45/77/345574577.db2.gz PFTAWQNERNDGJH-AWEZNQCLSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CC[NH+](CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000594053730 345574580 /nfs/dbraw/zinc/57/45/80/345574580.db2.gz PFTAWQNERNDGJH-AWEZNQCLSA-N 2 1 270.417 2.134 20 0 CEADMP COc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000125403284 232208347 /nfs/dbraw/zinc/20/83/47/232208347.db2.gz DZHKZNHAPSIIKP-XKQJLSEDSA-N 2 1 290.407 2.133 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C(=O)OC)oc2C)C1 ZINC000594611511 345662253 /nfs/dbraw/zinc/66/22/53/345662253.db2.gz FXDHDNKVALJLRN-CYBMUJFWSA-N 2 1 294.395 2.196 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C(=O)OC)oc2C)C1 ZINC000594611511 345662256 /nfs/dbraw/zinc/66/22/56/345662256.db2.gz FXDHDNKVALJLRN-CYBMUJFWSA-N 2 1 294.395 2.196 20 0 CEADMP C[C@@H](CSCCF)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000595007845 345725138 /nfs/dbraw/zinc/72/51/38/345725138.db2.gz PVLFSMSVFSCLOR-RYUDHWBXSA-N 2 1 260.422 2.152 20 0 CEADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000595016218 345727622 /nfs/dbraw/zinc/72/76/22/345727622.db2.gz IPACTARNXWGNOO-OCCSQVGLSA-N 2 1 284.444 2.284 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CSCCF)C1 ZINC000597130482 346132540 /nfs/dbraw/zinc/13/25/40/346132540.db2.gz RCOGXTIKUOOBMN-CHWSQXEVSA-N 2 1 262.438 2.398 20 0 CEADMP CC(C)[C@H](CN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1CCCC1 ZINC000128908477 365808468 /nfs/dbraw/zinc/80/84/68/365808468.db2.gz VUOWTESUAWAEES-VYDXJSESSA-N 2 1 279.472 2.322 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1SC ZINC000598982432 346441417 /nfs/dbraw/zinc/44/14/17/346441417.db2.gz VFICLBBAGIXQCI-SYQHCUMBSA-N 2 1 286.485 2.358 20 0 CEADMP CCC(CC)C[N@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336790574 365811707 /nfs/dbraw/zinc/81/17/07/365811707.db2.gz LSCVVYQUMWIJER-HNNXBMFYSA-N 2 1 256.434 2.200 20 0 CEADMP CCC(CC)C[N@@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336790574 365811711 /nfs/dbraw/zinc/81/17/11/365811711.db2.gz LSCVVYQUMWIJER-HNNXBMFYSA-N 2 1 256.434 2.200 20 0 CEADMP CCC(CC)C[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336790574 365811718 /nfs/dbraw/zinc/81/17/18/365811718.db2.gz LSCVVYQUMWIJER-HNNXBMFYSA-N 2 1 256.434 2.200 20 0 CEADMP CCC(CC)C[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336790574 365811725 /nfs/dbraw/zinc/81/17/25/365811725.db2.gz LSCVVYQUMWIJER-HNNXBMFYSA-N 2 1 256.434 2.200 20 0 CEADMP COC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000336794897 365817910 /nfs/dbraw/zinc/81/79/10/365817910.db2.gz GOALGJXVRYNVIE-KBPBESRZSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000599312268 346496527 /nfs/dbraw/zinc/49/65/27/346496527.db2.gz FPGDSTGFGRTVMZ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000599312268 346496529 /nfs/dbraw/zinc/49/65/29/346496529.db2.gz FPGDSTGFGRTVMZ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000599312268 346496531 /nfs/dbraw/zinc/49/65/31/346496531.db2.gz FPGDSTGFGRTVMZ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP COc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000129020446 365818929 /nfs/dbraw/zinc/81/89/29/365818929.db2.gz VKMOVGFUHBFRPD-CPUCHLNUSA-N 2 1 292.423 2.392 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCOCC3)CC[N@@H+]1C ZINC000336807443 365843921 /nfs/dbraw/zinc/84/39/21/365843921.db2.gz KAEVAFVUTTZPKX-KFWWJZLASA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCOCC3)CC[N@H+]1C ZINC000336807443 365843927 /nfs/dbraw/zinc/84/39/27/365843927.db2.gz KAEVAFVUTTZPKX-KFWWJZLASA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)CC[N@H+]1C ZINC000129555488 365872393 /nfs/dbraw/zinc/87/23/93/365872393.db2.gz AIWMDKDRDKMWRX-DOTOQJQBSA-N 2 1 298.434 2.487 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC2CCOCC2)C1 ZINC000336830488 365893949 /nfs/dbraw/zinc/89/39/49/365893949.db2.gz GLIIBBVOZIEHFC-KRWDZBQOSA-N 2 1 280.456 2.467 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC000336830488 365893952 /nfs/dbraw/zinc/89/39/52/365893952.db2.gz GLIIBBVOZIEHFC-KRWDZBQOSA-N 2 1 280.456 2.467 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC000336830488 365893954 /nfs/dbraw/zinc/89/39/54/365893954.db2.gz GLIIBBVOZIEHFC-KRWDZBQOSA-N 2 1 280.456 2.467 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)CC(C)(C)C1 ZINC000608056220 347557814 /nfs/dbraw/zinc/55/78/14/347557814.db2.gz GVQUXWSTXXSLIS-HIFRSBDPSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000351856228 219227717 /nfs/dbraw/zinc/22/77/17/219227717.db2.gz UTVRRQUFIAUTAJ-CMPLNLGQSA-N 2 1 270.323 2.457 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000308714425 539578369 /nfs/dbraw/zinc/57/83/69/539578369.db2.gz SWLATJMQGWNQHZ-KFWWJZLASA-N 2 1 256.434 2.246 20 0 CEADMP c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CO2 ZINC000336895759 365938932 /nfs/dbraw/zinc/93/89/32/365938932.db2.gz ZFBQKNJTCMNHQL-JYJNAYRXSA-N 2 1 272.392 2.207 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCc3ccncc3)C2)C1 ZINC000339429735 215160501 /nfs/dbraw/zinc/16/05/01/215160501.db2.gz ZKPVRYCJZVPALW-QGZVFWFLSA-N 2 1 273.424 2.432 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCc3ccncc3)C2)C1 ZINC000339429735 215160506 /nfs/dbraw/zinc/16/05/06/215160506.db2.gz ZKPVRYCJZVPALW-QGZVFWFLSA-N 2 1 273.424 2.432 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCc3ccncc3)C2)C1 ZINC000339429735 215160508 /nfs/dbraw/zinc/16/05/08/215160508.db2.gz ZKPVRYCJZVPALW-QGZVFWFLSA-N 2 1 273.424 2.432 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000493575550 290860039 /nfs/dbraw/zinc/86/00/39/290860039.db2.gz VDUALILMSRDGLX-CABCVRRESA-N 2 1 265.401 2.112 20 0 CEADMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623342174 349992480 /nfs/dbraw/zinc/99/24/80/349992480.db2.gz KGQBHTXPSDPPLR-OAHLLOKOSA-N 3 1 267.461 2.322 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)CC1(C)C ZINC000623342072 349992743 /nfs/dbraw/zinc/99/27/43/349992743.db2.gz FENUPGIJRFMORQ-CQSZACIVSA-N 2 1 290.407 2.420 20 0 CEADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623342443 349993131 /nfs/dbraw/zinc/99/31/31/349993131.db2.gz ZZLTXAMSNXRRQN-OAHLLOKOSA-N 2 1 267.461 2.323 20 0 CEADMP CC[N@@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C)n2)[C@@H](C)C1 ZINC000249085569 539655565 /nfs/dbraw/zinc/65/55/65/539655565.db2.gz FHANCFNKWKCPKA-SMDDNHRTSA-N 2 1 262.401 2.260 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C)n2)[C@@H](C)C1 ZINC000249085569 539655568 /nfs/dbraw/zinc/65/55/68/539655568.db2.gz FHANCFNKWKCPKA-SMDDNHRTSA-N 2 1 262.401 2.260 20 0 CEADMP Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)nc(C)[nH+]1 ZINC000249133663 539656576 /nfs/dbraw/zinc/65/65/76/539656576.db2.gz TZKYDKOKKXPZQW-ZIAGYGMSSA-N 2 1 260.385 2.014 20 0 CEADMP Cc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)nc(C)[nH+]1 ZINC000249133663 539656581 /nfs/dbraw/zinc/65/65/81/539656581.db2.gz TZKYDKOKKXPZQW-ZIAGYGMSSA-N 2 1 260.385 2.014 20 0 CEADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCCCCC1 ZINC000617349743 348686404 /nfs/dbraw/zinc/68/64/04/348686404.db2.gz VZZGRIRQPWYICZ-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[NH+](C)C ZINC000617757938 348782258 /nfs/dbraw/zinc/78/22/58/348782258.db2.gz DKFHSFDPURIEJP-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCCC[NH+]1CCCCC1 ZINC000339239682 539668562 /nfs/dbraw/zinc/66/85/62/539668562.db2.gz ZCPLNMNOZVLFAM-INIZCTEOSA-N 2 1 295.471 2.243 20 0 CEADMP CC[N@@H+](CCOc1ccccc1OC)C[C@@H]1CCC[NH2+]C1 ZINC000233467705 539671643 /nfs/dbraw/zinc/67/16/43/539671643.db2.gz DGRLGQRNQRVCHE-OAHLLOKOSA-N 2 1 292.423 2.396 20 0 CEADMP CC[NH+](CC)[C@H]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000339280301 539687691 /nfs/dbraw/zinc/68/76/91/539687691.db2.gz FSCBIZGILFFSGD-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400414924 233177826 /nfs/dbraw/zinc/17/78/26/233177826.db2.gz UVRVAOXPGKRSAK-IUODEOHRSA-N 2 1 250.361 2.407 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)NC2CCCCC2)CC1(C)C ZINC000623370198 350002104 /nfs/dbraw/zinc/00/21/04/350002104.db2.gz ALGJQEJLZIBDKC-HNNXBMFYSA-N 2 1 295.471 2.288 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623372892 350002577 /nfs/dbraw/zinc/00/25/77/350002577.db2.gz KSVCBLBPHAIYQG-CYBMUJFWSA-N 2 1 272.396 2.384 20 0 CEADMP C[C@H](CO)[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411402778 233244949 /nfs/dbraw/zinc/24/49/49/233244949.db2.gz RFRRBHYXYDMGBF-OAHLLOKOSA-N 2 1 276.424 2.485 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1O ZINC000411441262 233247697 /nfs/dbraw/zinc/24/76/97/233247697.db2.gz PGWVLTHGYKUEEP-YJBOKZPZSA-N 2 1 288.435 2.485 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623412890 350012890 /nfs/dbraw/zinc/01/28/90/350012890.db2.gz BKAZGSBBHLDUMW-GJZGRUSLSA-N 2 1 267.461 2.323 20 0 CEADMP CC[NH+]1CCCC[C@H]1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623412890 350012893 /nfs/dbraw/zinc/01/28/93/350012893.db2.gz BKAZGSBBHLDUMW-GJZGRUSLSA-N 2 1 267.461 2.323 20 0 CEADMP CC[NH+]1CCCC[C@H]1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623412890 350012898 /nfs/dbraw/zinc/01/28/98/350012898.db2.gz BKAZGSBBHLDUMW-GJZGRUSLSA-N 2 1 267.461 2.323 20 0 CEADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623431848 350019506 /nfs/dbraw/zinc/01/95/06/350019506.db2.gz UOXBBOIBLYETSS-SWLSCSKDSA-N 2 1 292.471 2.430 20 0 CEADMP CCCCOCCOCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623436546 350019838 /nfs/dbraw/zinc/01/98/38/350019838.db2.gz WPBHMURYIXKQDA-OAHLLOKOSA-N 2 1 286.460 2.282 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)C2CCCCC2)CC1(C)C ZINC000623437370 350020480 /nfs/dbraw/zinc/02/04/80/350020480.db2.gz CTDFPPQMPZKFBI-HUUCEWRRSA-N 2 1 268.445 2.390 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](CO)c2ccccc2)CC1(C)C ZINC000623440715 350021470 /nfs/dbraw/zinc/02/14/70/350021470.db2.gz HPPINFPYTUYPIW-HZPDHXFCSA-N 2 1 276.424 2.225 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCCO1 ZINC000623473635 350029234 /nfs/dbraw/zinc/02/92/34/350029234.db2.gz CBXZSOGWKSZYRP-HZSPNIEDSA-N 2 1 254.418 2.406 20 0 CEADMP C[N@H+]1CCCC[C@@H](CNCc2cn3ccccc3n2)C1 ZINC000623655661 350074932 /nfs/dbraw/zinc/07/49/32/350074932.db2.gz BDMCFCXOUSJDET-AWEZNQCLSA-N 2 1 272.396 2.156 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000623657083 350075606 /nfs/dbraw/zinc/07/56/06/350075606.db2.gz JIYRTXCYSFQSMS-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000623657083 350075610 /nfs/dbraw/zinc/07/56/10/350075610.db2.gz JIYRTXCYSFQSMS-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000623656844 350076325 /nfs/dbraw/zinc/07/63/25/350076325.db2.gz DDCQUHURSNJHHL-CYBMUJFWSA-N 2 1 274.412 2.176 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000623656844 350076329 /nfs/dbraw/zinc/07/63/29/350076329.db2.gz DDCQUHURSNJHHL-CYBMUJFWSA-N 2 1 274.412 2.176 20 0 CEADMP C[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623523039 350040852 /nfs/dbraw/zinc/04/08/52/350040852.db2.gz HFVVCLGXLZNQMY-HZSPNIEDSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCCOC2)CC1(C)C ZINC000623591001 350059928 /nfs/dbraw/zinc/05/99/28/350059928.db2.gz SEZFKSUDXHEKOK-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000623748660 350101011 /nfs/dbraw/zinc/10/10/11/350101011.db2.gz BRJDYYYCEGYKDY-DZJNRPSUSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000623748660 350101012 /nfs/dbraw/zinc/10/10/12/350101012.db2.gz BRJDYYYCEGYKDY-DZJNRPSUSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000090720166 180030021 /nfs/dbraw/zinc/03/00/21/180030021.db2.gz ZORRZQYXXDHPAE-TZMCWYRMSA-N 2 1 276.380 2.030 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000090720166 180030022 /nfs/dbraw/zinc/03/00/22/180030022.db2.gz ZORRZQYXXDHPAE-TZMCWYRMSA-N 2 1 276.380 2.030 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000090720273 180030170 /nfs/dbraw/zinc/03/01/70/180030170.db2.gz LBYYFSGYRJSQML-AAEUAGOBSA-N 2 1 266.360 2.407 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000090720273 180030173 /nfs/dbraw/zinc/03/01/73/180030173.db2.gz LBYYFSGYRJSQML-AAEUAGOBSA-N 2 1 266.360 2.407 20 0 CEADMP COCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090720297 180030206 /nfs/dbraw/zinc/03/02/06/180030206.db2.gz YUBPEWWCKKMXLM-CZUORRHYSA-N 2 1 262.397 2.405 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1C ZINC000090720493 180030913 /nfs/dbraw/zinc/03/09/13/180030913.db2.gz JIPLIYWPIGROQW-UKRRQHHQSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1C ZINC000090720493 180030915 /nfs/dbraw/zinc/03/09/15/180030915.db2.gz JIPLIYWPIGROQW-UKRRQHHQSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623886672 350134387 /nfs/dbraw/zinc/13/43/87/350134387.db2.gz IFNUMEGMRMCMCA-VNHYZAJKSA-N 2 1 265.401 2.375 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000151141070 539766422 /nfs/dbraw/zinc/76/64/22/539766422.db2.gz CBDKYHIPVGVWMK-GJZGRUSLSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)OCC ZINC000624051026 350179693 /nfs/dbraw/zinc/17/96/93/350179693.db2.gz PQAZXHRJTWOBLU-HZPDHXFCSA-N 2 1 284.444 2.035 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cnn(C)c1 ZINC000624121288 350199163 /nfs/dbraw/zinc/19/91/63/350199163.db2.gz SHFKLSCVULQMMK-ZFWWWQNUSA-N 2 1 264.417 2.193 20 0 CEADMP Cc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CO2 ZINC000624072221 350185186 /nfs/dbraw/zinc/18/51/86/350185186.db2.gz XWWQDFXKDUXBOJ-ILXRZTDVSA-N 2 1 274.408 2.371 20 0 CEADMP Cc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CO2 ZINC000624072221 350185188 /nfs/dbraw/zinc/18/51/88/350185188.db2.gz XWWQDFXKDUXBOJ-ILXRZTDVSA-N 2 1 274.408 2.371 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188536 350223299 /nfs/dbraw/zinc/22/32/99/350223299.db2.gz UHZNNXLEVNOFKQ-ZBFHGGJFSA-N 2 1 288.439 2.404 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123632 350200911 /nfs/dbraw/zinc/20/09/11/350200911.db2.gz PQTZNXYGCXEZIP-CVEARBPZSA-N 2 1 278.444 2.229 20 0 CEADMP C[C@@H](C1CCCCC1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352103145 219320536 /nfs/dbraw/zinc/32/05/36/219320536.db2.gz MUWYBONUZXDXFE-XJKSGUPXSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352103145 219320537 /nfs/dbraw/zinc/32/05/37/219320537.db2.gz MUWYBONUZXDXFE-XJKSGUPXSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H](C1CCCCC1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352103145 219320539 /nfs/dbraw/zinc/32/05/39/219320539.db2.gz MUWYBONUZXDXFE-XJKSGUPXSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H](C1CCCCC1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352103145 219320540 /nfs/dbraw/zinc/32/05/40/219320540.db2.gz MUWYBONUZXDXFE-XJKSGUPXSA-N 2 1 268.445 2.342 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc(C)ccc1O ZINC000105442722 186057193 /nfs/dbraw/zinc/05/71/93/186057193.db2.gz DKUQJPANDUODTL-NSHDSACASA-N 2 1 274.368 2.026 20 0 CEADMP C[N@@H+](CC(=O)Nc1ccc(F)cc1F)C1CCC([NH3+])CC1 ZINC000091847113 180270232 /nfs/dbraw/zinc/27/02/32/180270232.db2.gz HYHNWXRVXCMLEN-UHFFFAOYSA-N 2 1 297.349 2.105 20 0 CEADMP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C1CCC([NH3+])CC1 ZINC000091847251 180271238 /nfs/dbraw/zinc/27/12/38/180271238.db2.gz LQMVKQZHAXWXCJ-UHFFFAOYSA-N 2 1 295.814 2.480 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000091996036 180302154 /nfs/dbraw/zinc/30/21/54/180302154.db2.gz WSMPQRNVVQTZTB-KBPBESRZSA-N 2 1 275.396 2.060 20 0 CEADMP O=C(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1ccccc1 ZINC000166598554 539794484 /nfs/dbraw/zinc/79/44/84/539794484.db2.gz WEAHTSSTWBMRAS-HZPDHXFCSA-N 2 1 287.407 2.232 20 0 CEADMP Cc1noc(C)c1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875643 186082351 /nfs/dbraw/zinc/08/23/51/186082351.db2.gz HDDHWJLHSXYRFT-UHFFFAOYSA-N 2 1 288.395 2.480 20 0 CEADMP C[C@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1C ZINC000251744566 539801213 /nfs/dbraw/zinc/80/12/13/539801213.db2.gz CXXSUSQJFOORFA-BLNMRFBMSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@H]1C[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1C ZINC000251744566 539801215 /nfs/dbraw/zinc/80/12/15/539801215.db2.gz CXXSUSQJFOORFA-BLNMRFBMSA-N 2 1 265.445 2.074 20 0 CEADMP CC[NH+](CC)[C@@H](CNC(=O)Cn1c[nH+]cc1C)CC(C)C ZINC000625544432 350524662 /nfs/dbraw/zinc/52/46/62/350524662.db2.gz USTVENQXRDHEOE-OAHLLOKOSA-N 2 1 294.443 2.064 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c[nH]nc3c2)CC[N@@H+]1C ZINC000130632941 365975507 /nfs/dbraw/zinc/97/55/07/365975507.db2.gz OHHBAFMMZBDULX-SWLSCSKDSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c[nH]nc3c2)CC[N@H+]1C ZINC000130632941 365975514 /nfs/dbraw/zinc/97/55/14/365975514.db2.gz OHHBAFMMZBDULX-SWLSCSKDSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c[nH]nc3c2)CC[NH+]1C ZINC000130632941 365975518 /nfs/dbraw/zinc/97/55/18/365975518.db2.gz OHHBAFMMZBDULX-SWLSCSKDSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c[nH]nc3c2)CC[NH+]1C ZINC000130632941 365975523 /nfs/dbraw/zinc/97/55/23/365975523.db2.gz OHHBAFMMZBDULX-SWLSCSKDSA-N 2 1 272.396 2.477 20 0 CEADMP Cc1nc(C)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)o1 ZINC000628201740 351002797 /nfs/dbraw/zinc/00/27/97/351002797.db2.gz RUVCVGGEFFBFBP-SNVBAGLBSA-N 2 1 262.357 2.222 20 0 CEADMP Cc1ncc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000628280043 351038987 /nfs/dbraw/zinc/03/89/87/351038987.db2.gz MSHRRYKEVZRFAB-AWEZNQCLSA-N 2 1 263.385 2.147 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(n3)CCC4)CC[C@@H]21 ZINC000569077622 299176903 /nfs/dbraw/zinc/17/69/03/299176903.db2.gz NGRIUASGOKZEFC-QAPCUYQASA-N 2 1 285.435 2.486 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(n3)CCC4)CC[C@@H]21 ZINC000569077622 299176905 /nfs/dbraw/zinc/17/69/05/299176905.db2.gz NGRIUASGOKZEFC-QAPCUYQASA-N 2 1 285.435 2.486 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4c(n3)CCC4)CC[C@@H]21 ZINC000569077622 299176906 /nfs/dbraw/zinc/17/69/06/299176906.db2.gz NGRIUASGOKZEFC-QAPCUYQASA-N 2 1 285.435 2.486 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(n3)CCC4)CC[C@@H]21 ZINC000569077622 299176909 /nfs/dbraw/zinc/17/69/09/299176909.db2.gz NGRIUASGOKZEFC-QAPCUYQASA-N 2 1 285.435 2.486 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(O)ccc1Cl ZINC000629516717 351385340 /nfs/dbraw/zinc/38/53/40/351385340.db2.gz NGOBNTMZCMPAON-ZJUUUORDSA-N 2 1 254.761 2.215 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(O)ccc1Cl ZINC000629516717 351385342 /nfs/dbraw/zinc/38/53/42/351385342.db2.gz NGOBNTMZCMPAON-ZJUUUORDSA-N 2 1 254.761 2.215 20 0 CEADMP [NH3+]C1(C[NH2+][C@H]2CCc3ccc(Cl)cc32)CCOCC1 ZINC000629525042 351390153 /nfs/dbraw/zinc/39/01/53/351390153.db2.gz QMQOFVSBNHSVKT-AWEZNQCLSA-N 2 1 280.799 2.425 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2CC)C12CCC2 ZINC000629527316 351391168 /nfs/dbraw/zinc/39/11/68/351391168.db2.gz RMZXNNDNEAIUNY-RFQIPJPRSA-N 2 1 252.402 2.064 20 0 CEADMP CCO[C@@H](C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C1CC1 ZINC000629534788 351398655 /nfs/dbraw/zinc/39/86/55/351398655.db2.gz AWSZBPMCTGUMQT-HIFRSBDPSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[C@@H](C)CCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000629535102 351398679 /nfs/dbraw/zinc/39/86/79/351398679.db2.gz DNSHADYKKIEBMV-HZPDHXFCSA-N 2 1 267.461 2.182 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000629537389 351399219 /nfs/dbraw/zinc/39/92/19/351399219.db2.gz JZBKAUISWIISBZ-YLFCFFPRSA-N 2 1 296.455 2.020 20 0 CEADMP Cc1cnccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000629540507 351401809 /nfs/dbraw/zinc/40/18/09/351401809.db2.gz VEBHYASHXUZYJS-BBWFWOEESA-N 2 1 289.423 2.108 20 0 CEADMP CC(C)Oc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629388122 351345761 /nfs/dbraw/zinc/34/57/61/351345761.db2.gz QSWHUVKRPSDQQC-UHFFFAOYSA-N 2 1 278.396 2.071 20 0 CEADMP CSc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629388076 351346473 /nfs/dbraw/zinc/34/64/73/351346473.db2.gz QCRWPFSHRCDFLK-UHFFFAOYSA-N 2 1 266.410 2.006 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC000629397030 351350166 /nfs/dbraw/zinc/35/01/66/351350166.db2.gz WTIMMEBREFOACH-MAZHCROVSA-N 2 1 274.408 2.283 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C12CCC2 ZINC000629542907 351404367 /nfs/dbraw/zinc/40/43/67/351404367.db2.gz OWODWXHBEDNLKG-RFQIPJPRSA-N 2 1 252.402 2.064 20 0 CEADMP C[C@H]1C[N@H+](CC2=Cc3ccccc3OC2)CC[C@@H]1[NH3+] ZINC000629652062 351449690 /nfs/dbraw/zinc/44/96/90/351449690.db2.gz USDWUBMQGYMNGP-WFASDCNBSA-N 2 1 258.365 2.132 20 0 CEADMP C[C@H]1C[N@@H+](CC2=Cc3ccccc3OC2)CC[C@@H]1[NH3+] ZINC000629652062 351449696 /nfs/dbraw/zinc/44/96/96/351449696.db2.gz USDWUBMQGYMNGP-WFASDCNBSA-N 2 1 258.365 2.132 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C)c(Cl)c1 ZINC000629653219 351451221 /nfs/dbraw/zinc/45/12/21/351451221.db2.gz ICXZNDJIOICLEQ-UHFFFAOYSA-N 2 1 270.804 2.316 20 0 CEADMP CC(C)c1ccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000629654158 351451324 /nfs/dbraw/zinc/45/13/24/351451324.db2.gz WEDDEAFNNCLPHT-UHFFFAOYSA-N 2 1 286.379 2.054 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N[C@@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000629553046 351411327 /nfs/dbraw/zinc/41/13/27/351411327.db2.gz IXVQGLHMUALNIO-WJFTUGDTSA-N 3 1 299.462 2.239 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CC2CC=CC2)CC[C@@H]1C(F)(F)F ZINC000629564721 351415416 /nfs/dbraw/zinc/41/54/16/351415416.db2.gz UDSXLZRKDRJADB-RYUDHWBXSA-N 2 1 262.319 2.412 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CCCO2)CC[C@@H]1C(F)(F)F ZINC000629564583 351415714 /nfs/dbraw/zinc/41/57/14/351415714.db2.gz STMLRVWUNJRPOE-UTUOFQBUSA-N 2 1 280.334 2.015 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCC2)CC[C@H]1C(F)(F)F ZINC000629565609 351417076 /nfs/dbraw/zinc/41/70/76/351417076.db2.gz WNSFYUGFJCLLQJ-GHMZBOCLSA-N 2 1 250.308 2.246 20 0 CEADMP C[N@@H+](CCOCC[NH3+])CCSc1cccc(Cl)c1 ZINC000629580422 351422449 /nfs/dbraw/zinc/42/24/49/351422449.db2.gz BNUQWQWRJVTLGB-UHFFFAOYSA-N 2 1 288.844 2.339 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC(C1CCC1)C1CCC1)C1CC1 ZINC000629589698 351425113 /nfs/dbraw/zinc/42/51/13/351425113.db2.gz XBEGLKRMOJAAKQ-MRXNPFEDSA-N 2 1 280.456 2.248 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C1CCC1)C1CCC1)C1CC1 ZINC000629589698 351425115 /nfs/dbraw/zinc/42/51/15/351425115.db2.gz XBEGLKRMOJAAKQ-MRXNPFEDSA-N 2 1 280.456 2.248 20 0 CEADMP CC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149734 363038316 /nfs/dbraw/zinc/03/83/16/363038316.db2.gz DZIURLLAAMDZTD-HNNXBMFYSA-N 2 1 290.407 2.471 20 0 CEADMP CC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149734 363038320 /nfs/dbraw/zinc/03/83/20/363038320.db2.gz DZIURLLAAMDZTD-HNNXBMFYSA-N 2 1 290.407 2.471 20 0 CEADMP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1OC ZINC000070171568 363045339 /nfs/dbraw/zinc/04/53/39/363045339.db2.gz ICVLAHNDJUYQRB-OLZOCXBDSA-N 2 1 278.396 2.263 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1OC ZINC000070171568 363045342 /nfs/dbraw/zinc/04/53/42/363045342.db2.gz ICVLAHNDJUYQRB-OLZOCXBDSA-N 2 1 278.396 2.263 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cncnc2)cc1 ZINC000629713312 351485361 /nfs/dbraw/zinc/48/53/61/351485361.db2.gz BNNWALLXJVLQMR-MRXNPFEDSA-N 2 1 268.364 2.067 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2cncnc2)cc1 ZINC000629713312 351485362 /nfs/dbraw/zinc/48/53/62/351485362.db2.gz BNNWALLXJVLQMR-MRXNPFEDSA-N 2 1 268.364 2.067 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174244 363048993 /nfs/dbraw/zinc/04/89/93/363048993.db2.gz CIBXIVYLIVHASX-HZPDHXFCSA-N 2 1 297.487 2.474 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174244 363048994 /nfs/dbraw/zinc/04/89/94/363048994.db2.gz CIBXIVYLIVHASX-HZPDHXFCSA-N 2 1 297.487 2.474 20 0 CEADMP FC(F)[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000630072653 351602412 /nfs/dbraw/zinc/60/24/12/351602412.db2.gz UGUNKXCDOGESJF-OAHLLOKOSA-N 2 1 296.361 2.188 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000337141494 366037258 /nfs/dbraw/zinc/03/72/58/366037258.db2.gz SHDIKYLNJZBWBL-UHFFFAOYSA-N 2 1 299.422 2.041 20 0 CEADMP CC(C)n1nccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000337188923 366063651 /nfs/dbraw/zinc/06/36/51/366063651.db2.gz QTFCXCBPNDSZRO-UHFFFAOYSA-N 2 1 264.417 2.238 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCCCCC2)CC[N@H+]1C ZINC000630577756 351790866 /nfs/dbraw/zinc/79/08/66/351790866.db2.gz WRACSYSMUKMTNV-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)COC)CC1 ZINC000122178131 187019429 /nfs/dbraw/zinc/01/94/29/187019429.db2.gz HATRJNMWTWZAJM-OAHLLOKOSA-N 2 1 286.460 2.092 20 0 CEADMP C[NH+]1CCC([NH2+]CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC000631246585 352036128 /nfs/dbraw/zinc/03/61/28/352036128.db2.gz XJPNFWOCZMKQIG-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1ccc([C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)c(C)c1 ZINC000071148551 363109022 /nfs/dbraw/zinc/10/90/22/363109022.db2.gz CERCBCRBRWXJKB-INIZCTEOSA-N 2 1 275.440 2.201 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000271587800 191228428 /nfs/dbraw/zinc/22/84/28/191228428.db2.gz XRQQEHALFBMMNL-UTJXIGIESA-N 2 1 294.414 2.047 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430928324 539933208 /nfs/dbraw/zinc/93/32/08/539933208.db2.gz SWQQCEQPXVUKRQ-WFASDCNBSA-N 2 1 280.437 2.456 20 0 CEADMP CS[C@H]1CN(c2cc[nH+]cc2Cl)C[C@H]1[NH+](C)C ZINC000271659460 191263827 /nfs/dbraw/zinc/26/38/27/191263827.db2.gz USAOPQXSBYRHCI-NEPJUHHUSA-N 2 1 271.817 2.217 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000153746298 188100937 /nfs/dbraw/zinc/10/09/37/188100937.db2.gz AQKADJYPCCWUQW-ZDUSSCGKSA-N 2 1 298.402 2.453 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000153780742 188103890 /nfs/dbraw/zinc/10/38/90/188103890.db2.gz GMZURCAIGRKCHM-CYBMUJFWSA-N 2 1 268.376 2.445 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCSC2)C1 ZINC000494953826 291007067 /nfs/dbraw/zinc/00/70/67/291007067.db2.gz QVFPISNTAIVFGU-CABCVRRESA-N 2 1 268.470 2.403 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000494953826 291007068 /nfs/dbraw/zinc/00/70/68/291007068.db2.gz QVFPISNTAIVFGU-CABCVRRESA-N 2 1 268.470 2.403 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000494953826 291007069 /nfs/dbraw/zinc/00/70/69/291007069.db2.gz QVFPISNTAIVFGU-CABCVRRESA-N 2 1 268.470 2.403 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCSC2)C1 ZINC000494953829 291007093 /nfs/dbraw/zinc/00/70/93/291007093.db2.gz QVFPISNTAIVFGU-GJZGRUSLSA-N 2 1 268.470 2.403 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000494953829 291007094 /nfs/dbraw/zinc/00/70/94/291007094.db2.gz QVFPISNTAIVFGU-GJZGRUSLSA-N 2 1 268.470 2.403 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000494953829 291007095 /nfs/dbraw/zinc/00/70/95/291007095.db2.gz QVFPISNTAIVFGU-GJZGRUSLSA-N 2 1 268.470 2.403 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H](O)c2cccc(F)c2)CC1 ZINC000271725139 191291620 /nfs/dbraw/zinc/29/16/20/191291620.db2.gz QZAQRBOSGIPBLU-WBMJQRKESA-N 2 1 280.387 2.322 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495086716 291016840 /nfs/dbraw/zinc/01/68/40/291016840.db2.gz AVALEVCQXDRMDF-HUUCEWRRSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495086716 291016842 /nfs/dbraw/zinc/01/68/42/291016842.db2.gz AVALEVCQXDRMDF-HUUCEWRRSA-N 2 1 295.471 2.144 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)C12CCC2 ZINC000451483354 283004732 /nfs/dbraw/zinc/00/47/32/283004732.db2.gz VJSGVFQWOGLIEH-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP CO[C@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2C)C1(C)C ZINC000451485343 283005747 /nfs/dbraw/zinc/00/57/47/283005747.db2.gz CMEOCXLAJATBBD-KBPBESRZSA-N 2 1 265.401 2.375 20 0 CEADMP CCO[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1C ZINC000451528056 283022500 /nfs/dbraw/zinc/02/25/00/283022500.db2.gz HZKWQKKTIZKBLE-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CCO[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000451528056 283022503 /nfs/dbraw/zinc/02/25/03/283022503.db2.gz HZKWQKKTIZKBLE-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CCO[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC000451528056 283022507 /nfs/dbraw/zinc/02/25/07/283022507.db2.gz HZKWQKKTIZKBLE-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000133040520 366190136 /nfs/dbraw/zinc/19/01/36/366190136.db2.gz PFOFOKOTXMLRKI-GDBMZVCRSA-N 2 1 267.461 2.179 20 0 CEADMP CCC(CC)[C@@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000133126088 366196985 /nfs/dbraw/zinc/19/69/85/366196985.db2.gz WOXSDLFXQMOKEX-NUEKZKHPSA-N 2 1 269.477 2.283 20 0 CEADMP CO[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000451542768 283027115 /nfs/dbraw/zinc/02/71/15/283027115.db2.gz KJPMACZHNUSAIM-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1C ZINC000451542768 283027120 /nfs/dbraw/zinc/02/71/20/283027120.db2.gz KJPMACZHNUSAIM-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@@H]1C ZINC000451542768 283027124 /nfs/dbraw/zinc/02/71/24/283027124.db2.gz KJPMACZHNUSAIM-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C ZINC000451589840 283043484 /nfs/dbraw/zinc/04/34/84/283043484.db2.gz AZZWVJFVQZMKQT-CABCVRRESA-N 2 1 267.417 2.070 20 0 CEADMP COCCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271777077 191320181 /nfs/dbraw/zinc/32/01/81/191320181.db2.gz CTVVGUMZEZZXEG-UHFFFAOYSA-N 2 1 290.407 2.063 20 0 CEADMP C(C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000569928408 299227290 /nfs/dbraw/zinc/22/72/90/299227290.db2.gz PXPXHMMITLTCPR-JKSUJKDBSA-N 2 1 266.429 2.267 20 0 CEADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379651444 540119148 /nfs/dbraw/zinc/11/91/48/540119148.db2.gz UMBLPJZWWQTQGH-USXIJHARSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379651444 540119151 /nfs/dbraw/zinc/11/91/51/540119151.db2.gz UMBLPJZWWQTQGH-USXIJHARSA-N 2 1 276.424 2.400 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000271797295 191334113 /nfs/dbraw/zinc/33/41/13/191334113.db2.gz IGHGAOWZAPPNEX-UHFFFAOYSA-N 2 1 286.423 2.033 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000271825879 191351242 /nfs/dbraw/zinc/35/12/42/191351242.db2.gz DIZKPFAVANJHKH-UHFFFAOYSA-N 2 1 282.391 2.224 20 0 CEADMP Cn1cnc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc21 ZINC000271840028 191361812 /nfs/dbraw/zinc/36/18/12/191361812.db2.gz QCYPASYGPSUWKX-MRXNPFEDSA-N 2 1 298.434 2.491 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc21 ZINC000271840028 191361815 /nfs/dbraw/zinc/36/18/15/191361815.db2.gz QCYPASYGPSUWKX-MRXNPFEDSA-N 2 1 298.434 2.491 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000380482369 540132829 /nfs/dbraw/zinc/13/28/29/540132829.db2.gz LHZXQSWVENNMPH-CKEIUWERSA-N 2 1 274.408 2.469 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCC[C@@H]2CCOC2)CC[N@@H+]1C ZINC000682673012 540134309 /nfs/dbraw/zinc/13/43/09/540134309.db2.gz LPVJRTTXAFZYPZ-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCC[C@@H]2CCOC2)CC[N@H+]1C ZINC000682673012 540134313 /nfs/dbraw/zinc/13/43/13/540134313.db2.gz LPVJRTTXAFZYPZ-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCC[C@@H]2CCOC2)CC[NH+]1C ZINC000682673012 540134315 /nfs/dbraw/zinc/13/43/15/540134315.db2.gz LPVJRTTXAFZYPZ-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC[C@@H]2CCOC2)CC[NH+]1C ZINC000682673012 540134319 /nfs/dbraw/zinc/13/43/19/540134319.db2.gz LPVJRTTXAFZYPZ-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP CC[C@H]1C[N@@H+](CCOCc2ccccc2)CC[C@H]1[NH3+] ZINC000381077254 540138397 /nfs/dbraw/zinc/13/83/97/540138397.db2.gz ROXLNAWXUIUELD-JKSUJKDBSA-N 2 1 262.397 2.262 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H](CO)CC(C)(C)C ZINC000451776988 283102049 /nfs/dbraw/zinc/10/20/49/283102049.db2.gz AXFOHLXDDDYZIF-KGLIPLIRSA-N 2 1 256.434 2.200 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](CO)CC(C)(C)C ZINC000451776988 283102052 /nfs/dbraw/zinc/10/20/52/283102052.db2.gz AXFOHLXDDDYZIF-KGLIPLIRSA-N 2 1 256.434 2.200 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](CO)CC(C)(C)C ZINC000451776988 283102057 /nfs/dbraw/zinc/10/20/57/283102057.db2.gz AXFOHLXDDDYZIF-KGLIPLIRSA-N 2 1 256.434 2.200 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309813621 540160802 /nfs/dbraw/zinc/16/08/02/540160802.db2.gz XGEMFXOCRKUZJP-BFHYXJOUSA-N 2 1 299.459 2.220 20 0 CEADMP CC[C@H](C)[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000451820240 283115869 /nfs/dbraw/zinc/11/58/69/283115869.db2.gz CZPUMTWMEXJWEG-JKSUJKDBSA-N 2 1 267.461 2.277 20 0 CEADMP CC1(C)CC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000683939758 540210092 /nfs/dbraw/zinc/21/00/92/540210092.db2.gz LNICQODOWBABMY-OAHLLOKOSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN1CCSC[C@H]1c1ccccc1 ZINC000570055528 299234789 /nfs/dbraw/zinc/23/47/89/299234789.db2.gz YPSKIAUDWDNHIK-HOTGVXAUSA-N 2 1 294.464 2.089 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000375863746 283134996 /nfs/dbraw/zinc/13/49/96/283134996.db2.gz XYJCOOSLWJNCPV-RDBSUJKOSA-N 2 1 282.428 2.181 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C1CCCCC1 ZINC000385204756 540225461 /nfs/dbraw/zinc/22/54/61/540225461.db2.gz VQOFUUNHBSJEBV-HUUCEWRRSA-N 2 1 256.434 2.248 20 0 CEADMP Cn1cnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000414122552 540236507 /nfs/dbraw/zinc/23/65/07/540236507.db2.gz IULNXOWATLIFBK-SJLPKXTDSA-N 2 1 298.434 2.388 20 0 CEADMP Cn1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000414122552 540236510 /nfs/dbraw/zinc/23/65/10/540236510.db2.gz IULNXOWATLIFBK-SJLPKXTDSA-N 2 1 298.434 2.388 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000174647349 283172082 /nfs/dbraw/zinc/17/20/82/283172082.db2.gz IUZYFEKQMUXREK-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CCC[NH3+] ZINC000415118818 540250624 /nfs/dbraw/zinc/25/06/24/540250624.db2.gz JXDFIHGIFIFGJZ-OAHLLOKOSA-N 3 1 275.440 2.499 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cnn(C)c1C ZINC000338292828 366277938 /nfs/dbraw/zinc/27/79/38/366277938.db2.gz RJBVBYVOTQGBCI-LBPRGKRZSA-N 2 1 252.406 2.111 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000353488176 283187345 /nfs/dbraw/zinc/18/73/45/283187345.db2.gz OCVPYDNHWXKFQC-FXUDXRNXSA-N 2 1 269.477 2.425 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000353488176 283187350 /nfs/dbraw/zinc/18/73/50/283187350.db2.gz OCVPYDNHWXKFQC-FXUDXRNXSA-N 2 1 269.477 2.425 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000353488176 283187353 /nfs/dbraw/zinc/18/73/53/283187353.db2.gz OCVPYDNHWXKFQC-FXUDXRNXSA-N 2 1 269.477 2.425 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000496125286 291109857 /nfs/dbraw/zinc/10/98/57/291109857.db2.gz QWKGMZNDVPNPMQ-CQSZACIVSA-N 2 1 299.459 2.223 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000134409166 366318087 /nfs/dbraw/zinc/31/80/87/366318087.db2.gz BUGVVSATHAWUFA-YOEHRIQHSA-N 2 1 284.407 2.302 20 0 CEADMP COCCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000134682341 366350863 /nfs/dbraw/zinc/35/08/63/366350863.db2.gz CCLCBQZOSQRVJJ-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP COCCCC[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000134682341 366350871 /nfs/dbraw/zinc/35/08/71/366350871.db2.gz CCLCBQZOSQRVJJ-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000575755342 366356962 /nfs/dbraw/zinc/35/69/62/366356962.db2.gz KWALHMOWDUNNIP-LVQVYYBASA-N 2 1 266.429 2.002 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC3CCOCC3)C2)C1 ZINC000336314423 213157435 /nfs/dbraw/zinc/15/74/35/213157435.db2.gz SKUHYOPHZXYVAY-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC3CCOCC3)C2)C1 ZINC000336314423 213157437 /nfs/dbraw/zinc/15/74/37/213157437.db2.gz SKUHYOPHZXYVAY-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC3CCOCC3)C2)C1 ZINC000336314423 213157439 /nfs/dbraw/zinc/15/74/39/213157439.db2.gz SKUHYOPHZXYVAY-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP CCOc1ccc(CN2CC[C@H](C[N@@H+](C)CC)C2)nc1 ZINC000088536898 538879125 /nfs/dbraw/zinc/87/91/25/538879125.db2.gz ZPJREMTWFQFYEZ-CQSZACIVSA-N 2 1 277.412 2.254 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(OC)c1 ZINC000386916477 540267458 /nfs/dbraw/zinc/26/74/58/540267458.db2.gz IDAQJKQWJWZZTM-YOEHRIQHSA-N 2 1 290.407 2.265 20 0 CEADMP COc1ccc(F)cc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000471766078 540284309 /nfs/dbraw/zinc/28/43/09/540284309.db2.gz FEAVVZXTFPUVRW-NSHDSACASA-N 2 1 277.343 2.461 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C)nc1 ZINC000155794083 540311734 /nfs/dbraw/zinc/31/17/34/540311734.db2.gz HYUSWNALUFUSMB-LBPRGKRZSA-N 2 1 258.369 2.321 20 0 CEADMP COc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1F ZINC000166060668 540330042 /nfs/dbraw/zinc/33/00/42/540330042.db2.gz LTISLTRJKQTODH-GHMZBOCLSA-N 2 1 252.333 2.003 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1F ZINC000166060668 540330045 /nfs/dbraw/zinc/33/00/45/540330045.db2.gz LTISLTRJKQTODH-GHMZBOCLSA-N 2 1 252.333 2.003 20 0 CEADMP CCO[C@H]1C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000570768770 299276688 /nfs/dbraw/zinc/27/66/88/299276688.db2.gz PEDHFCXNXWFUJD-IRXDYDNUSA-N 2 1 274.408 2.418 20 0 CEADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000414809792 236491880 /nfs/dbraw/zinc/49/18/80/236491880.db2.gz UNESALGSWWLKIO-PBHICJAKSA-N 2 1 284.407 2.479 20 0 CEADMP CCn1nccc1CC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000338545672 366405954 /nfs/dbraw/zinc/40/59/54/366405954.db2.gz IMFJDGZPJMHYHA-GDBMZVCRSA-N 2 1 278.444 2.250 20 0 CEADMP CCn1nccc1CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000338545672 366405956 /nfs/dbraw/zinc/40/59/56/366405956.db2.gz IMFJDGZPJMHYHA-GDBMZVCRSA-N 2 1 278.444 2.250 20 0 CEADMP CCn1nccc1CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000338545672 366405958 /nfs/dbraw/zinc/40/59/58/366405958.db2.gz IMFJDGZPJMHYHA-GDBMZVCRSA-N 2 1 278.444 2.250 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(C2CCC2)s1 ZINC000414952682 236572239 /nfs/dbraw/zinc/57/22/39/236572239.db2.gz IPFZXCBIQJMERH-MFKMUULPSA-N 2 1 265.426 2.498 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000578248210 366468889 /nfs/dbraw/zinc/46/88/89/366468889.db2.gz YWDCUKCRVPCNGC-IRXDYDNUSA-N 3 1 275.440 2.498 20 0 CEADMP CCN1CCC([N@@H+](C)CCC(=O)OC(C)(C)C)CC1 ZINC000135705635 366470509 /nfs/dbraw/zinc/47/05/09/366470509.db2.gz HGYPQANAXYMMTA-UHFFFAOYSA-N 2 1 270.417 2.134 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCC(=O)OC(C)(C)C)CC1 ZINC000135705635 366470514 /nfs/dbraw/zinc/47/05/14/366470514.db2.gz HGYPQANAXYMMTA-UHFFFAOYSA-N 2 1 270.417 2.134 20 0 CEADMP COc1nc2ccccc2cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000578619064 366521864 /nfs/dbraw/zinc/52/18/64/366521864.db2.gz NYKUQJYGEJDZBN-DOMZBBRYSA-N 2 1 285.391 2.331 20 0 CEADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000496894848 291181592 /nfs/dbraw/zinc/18/15/92/291181592.db2.gz XFSPEGLIXRGIJO-ABAIWWIYSA-N 2 1 289.379 2.031 20 0 CEADMP COCCc1cc[nH+]c(N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000671766884 540507347 /nfs/dbraw/zinc/50/73/47/540507347.db2.gz ZUZBAIPBPGNKNF-ZDUSSCGKSA-N 2 1 277.412 2.413 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC000666853263 540509172 /nfs/dbraw/zinc/50/91/72/540509172.db2.gz WRVJOHAPIQHQGE-MNOVXSKESA-N 2 1 265.426 2.381 20 0 CEADMP c1nc2n(c1CN1CCC[C@@H](OCC3CC3)C1)CCC2 ZINC000668010590 540551557 /nfs/dbraw/zinc/55/15/57/540551557.db2.gz AQJFCQUFYJBEIS-OAHLLOKOSA-N 2 1 275.396 2.220 20 0 CEADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000297354115 200160567 /nfs/dbraw/zinc/16/05/67/200160567.db2.gz BQRHVNQVQBHFOO-DLBZAZTESA-N 2 1 276.424 2.128 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CCOCC1 ZINC000453084190 283468085 /nfs/dbraw/zinc/46/80/85/283468085.db2.gz NVJIRLUCOUSBCI-HOTGVXAUSA-N 2 1 298.471 2.281 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166476579 540642079 /nfs/dbraw/zinc/64/20/79/540642079.db2.gz XLCNRSFWQYIMCX-ARFHVFGLSA-N 2 1 266.429 2.144 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccccc1C ZINC000578717576 366537756 /nfs/dbraw/zinc/53/77/56/366537756.db2.gz ZRGUKGIQSHQFGS-WBVHZDCISA-N 2 1 276.424 2.445 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccccc1C ZINC000578717576 366537761 /nfs/dbraw/zinc/53/77/61/366537761.db2.gz ZRGUKGIQSHQFGS-WBVHZDCISA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000578717576 366537767 /nfs/dbraw/zinc/53/77/67/366537767.db2.gz ZRGUKGIQSHQFGS-WBVHZDCISA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1C ZINC000578717576 366537770 /nfs/dbraw/zinc/53/77/70/366537770.db2.gz ZRGUKGIQSHQFGS-WBVHZDCISA-N 2 1 276.424 2.445 20 0 CEADMP C[C@]1(c2ccccc2)C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000578731475 366540406 /nfs/dbraw/zinc/54/04/06/366540406.db2.gz ABSWSUYBHNTNCM-NVXWUHKLSA-N 2 1 274.408 2.234 20 0 CEADMP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000080693458 363679329 /nfs/dbraw/zinc/67/93/29/363679329.db2.gz YEZFTQLCVALVNA-LBPRGKRZSA-N 2 1 265.426 2.334 20 0 CEADMP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000080693458 363679333 /nfs/dbraw/zinc/67/93/33/363679333.db2.gz YEZFTQLCVALVNA-LBPRGKRZSA-N 2 1 265.426 2.334 20 0 CEADMP CC[N@@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000341797292 216109131 /nfs/dbraw/zinc/10/91/31/216109131.db2.gz KGTYYMZMJWTCAF-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000341797292 216109134 /nfs/dbraw/zinc/10/91/34/216109134.db2.gz KGTYYMZMJWTCAF-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP COC1(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CCC1 ZINC000339023960 366617763 /nfs/dbraw/zinc/61/77/63/366617763.db2.gz VKNQLPFTIOQSAZ-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP O=C1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CN1c1ccccc1 ZINC000339069559 366640880 /nfs/dbraw/zinc/64/08/80/366640880.db2.gz XHGIYMHFXMZYRU-VYDXJSESSA-N 2 1 299.418 2.008 20 0 CEADMP O=C1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CN1c1ccccc1 ZINC000339069559 366640884 /nfs/dbraw/zinc/64/08/84/366640884.db2.gz XHGIYMHFXMZYRU-VYDXJSESSA-N 2 1 299.418 2.008 20 0 CEADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cncc(F)c1 ZINC000178414087 189114183 /nfs/dbraw/zinc/11/41/83/189114183.db2.gz YLCFEZYLQSMVTP-LBPRGKRZSA-N 2 1 251.349 2.357 20 0 CEADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCCCCC[NH3+] ZINC000178847460 189150451 /nfs/dbraw/zinc/15/04/51/189150451.db2.gz GPHRCFONBUBUCS-OAHLLOKOSA-N 2 1 292.427 2.092 20 0 CEADMP [NH3+]C1(C[NH2+]CCOc2ccccc2Cl)CCC1 ZINC000342106093 216218041 /nfs/dbraw/zinc/21/80/41/216218041.db2.gz ORBFAOHAFPUCJG-UHFFFAOYSA-N 2 1 254.761 2.190 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnc(C)nc2C)C1 ZINC000675788480 540873702 /nfs/dbraw/zinc/87/37/02/540873702.db2.gz FFJVWOGKJFLUKU-DOMZBBRYSA-N 2 1 276.428 2.476 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnc(C)nc2C)C1 ZINC000675788480 540873703 /nfs/dbraw/zinc/87/37/03/540873703.db2.gz FFJVWOGKJFLUKU-DOMZBBRYSA-N 2 1 276.428 2.476 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCn1cc(C)cn1 ZINC000342158618 216242534 /nfs/dbraw/zinc/24/25/34/216242534.db2.gz HMJPRHPOADTLOB-UHFFFAOYSA-N 2 1 289.427 2.363 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCn1cc(C)cn1 ZINC000342158618 216242537 /nfs/dbraw/zinc/24/25/37/216242537.db2.gz HMJPRHPOADTLOB-UHFFFAOYSA-N 2 1 289.427 2.363 20 0 CEADMP CC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152866502 366718256 /nfs/dbraw/zinc/71/82/56/366718256.db2.gz PQWGMRMJDQYCCO-CQSZACIVSA-N 2 1 261.413 2.477 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]CCC1CCOCC1 ZINC000638674467 370678286 /nfs/dbraw/zinc/67/82/86/370678286.db2.gz KTJPYNSUQCSUBT-UHFFFAOYSA-N 2 1 265.401 2.378 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000638674518 370678555 /nfs/dbraw/zinc/67/85/55/370678555.db2.gz MAZSOUDHVLILRC-DZGCQCFKSA-N 2 1 292.427 2.009 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)[C@@H]2CCC[C@@H]21 ZINC000580075465 366746570 /nfs/dbraw/zinc/74/65/70/366746570.db2.gz OSNJBORKDFKRGO-ULQDDVLXSA-N 3 1 273.424 2.108 20 0 CEADMP CN1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)[C@@H]2CCC[C@@H]21 ZINC000580075465 366746579 /nfs/dbraw/zinc/74/65/79/366746579.db2.gz OSNJBORKDFKRGO-ULQDDVLXSA-N 2 1 273.424 2.108 20 0 CEADMP C[N@@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2)[C@@H]2CCC[C@@H]21 ZINC000580075465 366746586 /nfs/dbraw/zinc/74/65/86/366746586.db2.gz OSNJBORKDFKRGO-ULQDDVLXSA-N 2 1 273.424 2.108 20 0 CEADMP C[N@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2)[C@@H]2CCC[C@@H]21 ZINC000580075465 366746592 /nfs/dbraw/zinc/74/65/92/366746592.db2.gz OSNJBORKDFKRGO-ULQDDVLXSA-N 2 1 273.424 2.108 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000581579572 366796521 /nfs/dbraw/zinc/79/65/21/366796521.db2.gz FPMBSKWCXJMSPQ-CQSZACIVSA-N 2 1 258.409 2.333 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC[N@@H+]1C ZINC000155927108 366824584 /nfs/dbraw/zinc/82/45/84/366824584.db2.gz GHLOKCRZMXGSRB-JONQDZQNSA-N 2 1 276.428 2.439 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC[N@H+]1C ZINC000155927108 366824588 /nfs/dbraw/zinc/82/45/88/366824588.db2.gz GHLOKCRZMXGSRB-JONQDZQNSA-N 2 1 276.428 2.439 20 0 CEADMP CNC(=O)c1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000020093147 361578422 /nfs/dbraw/zinc/57/84/22/361578422.db2.gz RXRDQWRZBFRLSV-UHFFFAOYSA-N 2 1 289.423 2.009 20 0 CEADMP Cn1nc(C[N@@H+](C)CC2CC[NH+](C)CC2)c2ccccc21 ZINC000678239247 541098337 /nfs/dbraw/zinc/09/83/37/541098337.db2.gz WLKFEAKIDMEJOW-UHFFFAOYSA-N 2 1 286.423 2.347 20 0 CEADMP CC[N@H+]1CC[C@H](Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000679127647 541218512 /nfs/dbraw/zinc/21/85/12/541218512.db2.gz OPOFQPTWMNDKJX-BBRMVZONSA-N 2 1 285.395 2.410 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H](C)CCCCO)[NH+]1CCCC1 ZINC000679332072 541257855 /nfs/dbraw/zinc/25/78/55/541257855.db2.gz QLVUAJOERGQTHH-CABCVRRESA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H](CCCCO)[NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000679338956 541259338 /nfs/dbraw/zinc/25/93/38/541259338.db2.gz LAZFNOKSAMJDEE-QXSJWSMHSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@H](CCCCO)[NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000679338956 541259339 /nfs/dbraw/zinc/25/93/39/541259339.db2.gz LAZFNOKSAMJDEE-QXSJWSMHSA-N 2 1 270.461 2.494 20 0 CEADMP C[N@@H+](CCC[NH2+]CC1(O)CCCC1)Cc1ccccc1 ZINC000087459816 363856326 /nfs/dbraw/zinc/85/63/26/363856326.db2.gz KQKISTKMUQJNRA-UHFFFAOYSA-N 2 1 276.424 2.403 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(COC)c2)C1 ZINC000088555206 363907841 /nfs/dbraw/zinc/90/78/41/363907841.db2.gz OUAWZMJUIYLWKY-MRXNPFEDSA-N 2 1 262.397 2.264 20 0 CEADMP C[C@H]([NH2+]C1CSC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679841228 541324720 /nfs/dbraw/zinc/32/47/20/541324720.db2.gz SUNZFSSALUGVIE-NWDGAFQWSA-N 2 1 254.443 2.344 20 0 CEADMP CCn1cncc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000090170014 364044511 /nfs/dbraw/zinc/04/45/11/364044511.db2.gz XLBPZZABQZLEHJ-UHFFFAOYSA-N 2 1 264.417 2.302 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)[nH]1 ZINC000093085103 364139806 /nfs/dbraw/zinc/13/98/06/364139806.db2.gz VLYLMKACSSEGHG-UHFFFAOYSA-N 2 1 293.411 2.154 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000093089276 364140116 /nfs/dbraw/zinc/14/01/16/364140116.db2.gz HPKJWQFSSDVCQZ-UHFFFAOYSA-N 2 1 294.395 2.230 20 0 CEADMP Cc1ncsc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093089261 364140158 /nfs/dbraw/zinc/14/01/58/364140158.db2.gz ILQUXQVSBKKWHQ-UHFFFAOYSA-N 2 1 253.415 2.225 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CCC[NH3+])cc1 ZINC000237599400 370735751 /nfs/dbraw/zinc/73/57/51/370735751.db2.gz QOYAJPNBLKIEQA-LBPRGKRZSA-N 2 1 286.379 2.097 20 0 CEADMP Cc1cccnc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000093190861 364148179 /nfs/dbraw/zinc/14/81/79/364148179.db2.gz WVQFWJVXXUZXJX-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccnc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000093190861 364148185 /nfs/dbraw/zinc/14/81/85/364148185.db2.gz WVQFWJVXXUZXJX-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccnc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000093190861 364148190 /nfs/dbraw/zinc/14/81/90/364148190.db2.gz WVQFWJVXXUZXJX-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093496213 364193149 /nfs/dbraw/zinc/19/31/49/364193149.db2.gz MCTNZOVHGFCALI-HRCADAONSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccco2)C[C@H](C)O1 ZINC000237669128 370742886 /nfs/dbraw/zinc/74/28/86/370742886.db2.gz KLNLGRQPEXYPRW-OKILXGFUSA-N 2 1 266.385 2.259 20 0 CEADMP Cc1c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cnn1C ZINC000093650089 364210974 /nfs/dbraw/zinc/21/09/74/364210974.db2.gz IGWCGXKCKRKALC-UHFFFAOYSA-N 2 1 264.417 2.081 20 0 CEADMP C[N@H+](CC(=O)Nc1cccc(Cl)c1)CC1CC[NH2+]CC1 ZINC000094024411 364247569 /nfs/dbraw/zinc/24/75/69/364247569.db2.gz MBMCATXJTQQZNP-UHFFFAOYSA-N 2 1 295.814 2.210 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000340289193 366837738 /nfs/dbraw/zinc/83/77/38/366837738.db2.gz LSJZDRZHCUIUJT-UHFFFAOYSA-N 2 1 278.444 2.364 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000340289193 366837745 /nfs/dbraw/zinc/83/77/45/366837745.db2.gz LSJZDRZHCUIUJT-UHFFFAOYSA-N 2 1 278.444 2.364 20 0 CEADMP [NH3+]C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCCC1 ZINC000335056152 364410416 /nfs/dbraw/zinc/41/04/16/364410416.db2.gz CDYICOKGMWSNNV-HUUCEWRRSA-N 2 1 265.445 2.255 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000104424527 364696747 /nfs/dbraw/zinc/69/67/47/364696747.db2.gz DVMYZNHPOVRSOJ-YPMHNXCESA-N 2 1 266.360 2.394 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000104424527 364696753 /nfs/dbraw/zinc/69/67/53/364696753.db2.gz DVMYZNHPOVRSOJ-YPMHNXCESA-N 2 1 266.360 2.394 20 0 CEADMP COC(=O)CC[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000112963896 364858188 /nfs/dbraw/zinc/85/81/88/364858188.db2.gz JHJVIFSPDXUODW-UHFFFAOYSA-N 2 1 290.407 2.146 20 0 CEADMP COC(=O)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000112963896 364858191 /nfs/dbraw/zinc/85/81/91/364858191.db2.gz JHJVIFSPDXUODW-UHFFFAOYSA-N 2 1 290.407 2.146 20 0 CEADMP COC(=O)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000112963896 364858195 /nfs/dbraw/zinc/85/81/95/364858195.db2.gz JHJVIFSPDXUODW-UHFFFAOYSA-N 2 1 290.407 2.146 20 0 CEADMP Cc1ccncc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335634430 364817553 /nfs/dbraw/zinc/81/75/53/364817553.db2.gz OGRCSDRCVIDLIU-LSDHHAIUSA-N 2 1 259.397 2.212 20 0 CEADMP c1[nH]nc2c1cccc2C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335631318 212345357 /nfs/dbraw/zinc/34/53/57/212345357.db2.gz AHOTUZIOBZGNSZ-HIFRSBDPSA-N 2 1 284.407 2.384 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000113655240 364908369 /nfs/dbraw/zinc/90/83/69/364908369.db2.gz ZJQVOIWGOYVFFC-TZMCWYRMSA-N 2 1 278.396 2.263 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000335752319 364930569 /nfs/dbraw/zinc/93/05/69/364930569.db2.gz KQEJHFMSJWPCIV-GASCZTMLSA-N 2 1 282.391 2.036 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000335752319 364930575 /nfs/dbraw/zinc/93/05/75/364930575.db2.gz KQEJHFMSJWPCIV-GASCZTMLSA-N 2 1 282.391 2.036 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000118843053 365182946 /nfs/dbraw/zinc/18/29/46/365182946.db2.gz AJZZRVATPMLTMJ-HNNXBMFYSA-N 2 1 289.423 2.289 20 0 CEADMP C[NH+](CCC(=O)Nc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118843053 365182949 /nfs/dbraw/zinc/18/29/49/365182949.db2.gz AJZZRVATPMLTMJ-HNNXBMFYSA-N 2 1 289.423 2.289 20 0 CEADMP C[NH+](CCC(=O)Nc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843053 365182951 /nfs/dbraw/zinc/18/29/51/365182951.db2.gz AJZZRVATPMLTMJ-HNNXBMFYSA-N 2 1 289.423 2.289 20 0 CEADMP COCC1(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000340444399 366886874 /nfs/dbraw/zinc/88/68/74/366886874.db2.gz LUQULDOLHZYJTN-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP c1cc2c(cc1C[NH2+]CCC[NH+]1CCC1)OCCCCO2 ZINC000582251894 366886974 /nfs/dbraw/zinc/88/69/74/366886974.db2.gz MLUBPEGWCLYVLJ-UHFFFAOYSA-N 2 1 290.407 2.423 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000120247380 365395640 /nfs/dbraw/zinc/39/56/40/365395640.db2.gz XSBSRICMPOBDGE-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C(F)(F)F ZINC000336125090 365444599 /nfs/dbraw/zinc/44/45/99/365444599.db2.gz ZYABRHVRDFYJFE-MNOVXSKESA-N 2 1 250.308 2.212 20 0 CEADMP C[C@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)C(F)(F)F ZINC000336125090 365444604 /nfs/dbraw/zinc/44/46/04/365444604.db2.gz ZYABRHVRDFYJFE-MNOVXSKESA-N 2 1 250.308 2.212 20 0 CEADMP C[C@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)C(F)(F)F ZINC000336125090 365444606 /nfs/dbraw/zinc/44/46/06/365444606.db2.gz ZYABRHVRDFYJFE-MNOVXSKESA-N 2 1 250.308 2.212 20 0 CEADMP C[C@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)C(F)(F)F ZINC000336125090 365444611 /nfs/dbraw/zinc/44/46/11/365444611.db2.gz ZYABRHVRDFYJFE-MNOVXSKESA-N 2 1 250.308 2.212 20 0 CEADMP COCC1(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000340445723 366888770 /nfs/dbraw/zinc/88/87/70/366888770.db2.gz ZAILIWZKYYQJAI-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP COC(C)(C)[C@@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000340479924 366902307 /nfs/dbraw/zinc/90/23/07/366902307.db2.gz VJIIYQJKIJVASA-CQSZACIVSA-N 2 1 284.444 2.035 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CCCC1 ZINC000340519152 366917751 /nfs/dbraw/zinc/91/77/51/366917751.db2.gz TUUPEPHTBGFGRU-RRFJBIMHSA-N 2 1 278.440 2.408 20 0 CEADMP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000572386912 299364042 /nfs/dbraw/zinc/36/40/42/299364042.db2.gz TUQOEVBJHIPICL-SJORKVTESA-N 2 1 281.488 2.284 20 0 CEADMP CCCC[C@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000340657905 366971533 /nfs/dbraw/zinc/97/15/33/366971533.db2.gz AXUYNCYXDRVNGZ-LBPRGKRZSA-N 2 1 260.341 2.385 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000582972435 366984633 /nfs/dbraw/zinc/98/46/33/366984633.db2.gz JJRPBTDPQPAPSF-NJAFHUGGSA-N 2 1 290.451 2.485 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000582972435 366984635 /nfs/dbraw/zinc/98/46/35/366984635.db2.gz JJRPBTDPQPAPSF-NJAFHUGGSA-N 2 1 290.451 2.485 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000582972435 366984637 /nfs/dbraw/zinc/98/46/37/366984637.db2.gz JJRPBTDPQPAPSF-NJAFHUGGSA-N 2 1 290.451 2.485 20 0 CEADMP C[NH+](C)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000681127140 541509797 /nfs/dbraw/zinc/50/97/97/541509797.db2.gz OGDYNBGTZOAIDY-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000340714225 366999572 /nfs/dbraw/zinc/99/95/72/366999572.db2.gz SMBLDXMPVQZHFM-KRWDZBQOSA-N 3 1 281.488 2.430 20 0 CEADMP CCCC[N@H+](C)CC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000340714225 366999577 /nfs/dbraw/zinc/99/95/77/366999577.db2.gz SMBLDXMPVQZHFM-KRWDZBQOSA-N 2 1 281.488 2.430 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000340714225 366999585 /nfs/dbraw/zinc/99/95/85/366999585.db2.gz SMBLDXMPVQZHFM-KRWDZBQOSA-N 2 1 281.488 2.430 20 0 CEADMP Cc1cc(C[NH2+][C@@H](C)C[NH3+])ccc1Br ZINC000162080945 367136172 /nfs/dbraw/zinc/13/61/72/367136172.db2.gz JXCZSFZDTIUNKW-VIFPVBQESA-N 2 1 257.175 2.194 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@@H]1CCc2ccccc21)C1CC1 ZINC000583867569 367107392 /nfs/dbraw/zinc/10/73/92/367107392.db2.gz SCDGUWLWICBBGC-RDJZCZTQSA-N 2 1 288.435 2.151 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@@H]1CCc2ccccc21)C1CC1 ZINC000583867569 367107396 /nfs/dbraw/zinc/10/73/96/367107396.db2.gz SCDGUWLWICBBGC-RDJZCZTQSA-N 2 1 288.435 2.151 20 0 CEADMP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](Cc2cccs2)CC1 ZINC000162691038 367179534 /nfs/dbraw/zinc/17/95/34/367179534.db2.gz OIDHFKBSJXNIAE-HNNXBMFYSA-N 2 1 293.480 2.350 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](Cc2cccs2)CC1 ZINC000162691038 367179538 /nfs/dbraw/zinc/17/95/38/367179538.db2.gz OIDHFKBSJXNIAE-HNNXBMFYSA-N 2 1 293.480 2.350 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000245706708 370860791 /nfs/dbraw/zinc/86/07/91/370860791.db2.gz YSYNZPPGAYBDIV-JKSUJKDBSA-N 2 1 267.461 2.134 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000163237563 367226138 /nfs/dbraw/zinc/22/61/38/367226138.db2.gz ASSWSSMUFHKQKP-OCCSQVGLSA-N 2 1 255.365 2.404 20 0 CEADMP COc1cccc2c1OCCC[C@@H]2[NH2+]CCC[NH+](C)C ZINC000631561970 367401925 /nfs/dbraw/zinc/40/19/25/367401925.db2.gz UPANCRAKCCIWDO-AWEZNQCLSA-N 2 1 278.396 2.450 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000631564318 367403628 /nfs/dbraw/zinc/40/36/28/367403628.db2.gz JLONFJAICQDAFA-GJZGRUSLSA-N 2 1 252.402 2.018 20 0 CEADMP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000631565030 367405088 /nfs/dbraw/zinc/40/50/88/367405088.db2.gz AMSVFGBAOIZXAD-XBVQOTNRSA-N 2 1 290.451 2.408 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)F)[C@H](C)C1 ZINC000631658456 367470012 /nfs/dbraw/zinc/47/00/12/367470012.db2.gz KZIIESDNOWXGJV-KGLIPLIRSA-N 2 1 274.424 2.461 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CC12CCOCC2 ZINC000631827513 367566237 /nfs/dbraw/zinc/56/62/37/367566237.db2.gz POJOUVKRJDUYKJ-QWHCGFSZSA-N 2 1 288.382 2.109 20 0 CEADMP c1[nH]nc2cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc12 ZINC000342806308 367548167 /nfs/dbraw/zinc/54/81/67/367548167.db2.gz PIOKSEQTVHYKJJ-CVEARBPZSA-N 2 1 284.407 2.322 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2(O)CCC2)[C@H](C)C1 ZINC000342808322 367550021 /nfs/dbraw/zinc/55/00/21/367550021.db2.gz BNCURDBJAWMKFB-HZPDHXFCSA-N 2 1 298.471 2.018 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000631820663 367560053 /nfs/dbraw/zinc/56/00/53/367560053.db2.gz CJCHNAQKRJWNAV-HNNXBMFYSA-N 2 1 261.413 2.438 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000631820663 367560055 /nfs/dbraw/zinc/56/00/55/367560055.db2.gz CJCHNAQKRJWNAV-HNNXBMFYSA-N 2 1 261.413 2.438 20 0 CEADMP [NH3+][C@H]1CCCCC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000631832681 367571234 /nfs/dbraw/zinc/57/12/34/367571234.db2.gz LEEWRJGFJWXHSX-AWEZNQCLSA-N 2 1 293.386 2.358 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000631832681 367571241 /nfs/dbraw/zinc/57/12/41/367571241.db2.gz LEEWRJGFJWXHSX-AWEZNQCLSA-N 2 1 293.386 2.358 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCCCC[C@H]([NH3+])C2)c1C ZINC000631833627 367571479 /nfs/dbraw/zinc/57/14/79/367571479.db2.gz DZFWHFHLFBQXET-AWEZNQCLSA-N 2 1 277.412 2.410 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@H]1CCCCO1)CC[NH2+]CC2 ZINC000631829041 367567607 /nfs/dbraw/zinc/56/76/07/367567607.db2.gz FEVHKAQVNBIARG-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP CCC[C@H](C)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000342927143 367599033 /nfs/dbraw/zinc/59/90/33/367599033.db2.gz NVIBLGNBSBZXDW-GVDBMIGSSA-N 2 1 281.488 2.380 20 0 CEADMP CC[N@H+]1CCCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000335536065 212232927 /nfs/dbraw/zinc/23/29/27/212232927.db2.gz UFRJQRIGOADXMV-UHFFFAOYSA-N 2 1 290.411 2.013 20 0 CEADMP FC1(F)CC[C@H](C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889158 367610349 /nfs/dbraw/zinc/61/03/49/367610349.db2.gz CMZSRHWSNMFQIW-RWMBFGLXSA-N 2 1 258.356 2.496 20 0 CEADMP FC1(F)CC[C@H](C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889158 367610354 /nfs/dbraw/zinc/61/03/54/367610354.db2.gz CMZSRHWSNMFQIW-RWMBFGLXSA-N 2 1 258.356 2.496 20 0 CEADMP CN(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)c1ccccc1 ZINC000631889056 367610380 /nfs/dbraw/zinc/61/03/80/367610380.db2.gz DVEBILAZXNKVGP-NVXWUHKLSA-N 2 1 273.424 2.197 20 0 CEADMP C[N@@H+](Cc1ccc2[nH]cnc2c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681914564 541609046 /nfs/dbraw/zinc/60/90/46/541609046.db2.gz ILMNCANMNPVKNI-CQSZACIVSA-N 2 1 295.390 2.454 20 0 CEADMP C[N@H+](Cc1ccc2[nH]cnc2c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681914564 541609050 /nfs/dbraw/zinc/60/90/50/541609050.db2.gz ILMNCANMNPVKNI-CQSZACIVSA-N 2 1 295.390 2.454 20 0 CEADMP C[N@@H+](Cc1ccc2nc[nH]c2c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681914564 541609054 /nfs/dbraw/zinc/60/90/54/541609054.db2.gz ILMNCANMNPVKNI-CQSZACIVSA-N 2 1 295.390 2.454 20 0 CEADMP C[N@H+](Cc1ccc2nc[nH]c2c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681914564 541609058 /nfs/dbraw/zinc/60/90/58/541609058.db2.gz ILMNCANMNPVKNI-CQSZACIVSA-N 2 1 295.390 2.454 20 0 CEADMP CCCn1ccnc1CCC[N@@H+](C)CCCC(=O)N(C)C ZINC000572538694 299377634 /nfs/dbraw/zinc/37/76/34/299377634.db2.gz BYMQDLSFCUNJED-UHFFFAOYSA-N 2 1 294.443 2.026 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCC(=O)N(C)C ZINC000572538694 299377637 /nfs/dbraw/zinc/37/76/37/299377637.db2.gz BYMQDLSFCUNJED-UHFFFAOYSA-N 2 1 294.443 2.026 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCC(=O)N(C)C ZINC000572538694 299377641 /nfs/dbraw/zinc/37/76/41/299377641.db2.gz BYMQDLSFCUNJED-UHFFFAOYSA-N 2 1 294.443 2.026 20 0 CEADMP CCN1C[C@H](C)[C@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000343532957 367868739 /nfs/dbraw/zinc/86/87/39/367868739.db2.gz OYYDWUFKFXQLEL-YESZJQIVSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000245976320 370896125 /nfs/dbraw/zinc/89/61/25/370896125.db2.gz OUISGZFXRAQZHS-BZUAXINKSA-N 2 1 278.444 2.372 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000245976320 370896128 /nfs/dbraw/zinc/89/61/28/370896128.db2.gz OUISGZFXRAQZHS-BZUAXINKSA-N 2 1 278.444 2.372 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCCC(C)(C)C2)CC[N@H+]1C ZINC000682143451 541636753 /nfs/dbraw/zinc/63/67/53/541636753.db2.gz IFYYRRFBPAGTMU-YCPHGPKFSA-N 2 1 268.445 2.390 20 0 CEADMP Cc1ncsc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000174350263 368013142 /nfs/dbraw/zinc/01/31/42/368013142.db2.gz CQHKZUUXAIYYLF-JTQLQIEISA-N 2 1 264.398 2.382 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000335522207 212212614 /nfs/dbraw/zinc/21/26/14/212212614.db2.gz RWKKHHSAMBQJQA-CQSZACIVSA-N 2 1 289.423 2.263 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000344262717 368116083 /nfs/dbraw/zinc/11/60/83/368116083.db2.gz POANBDWFRCFKOD-GDBMZVCRSA-N 2 1 288.439 2.112 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000344262717 368116086 /nfs/dbraw/zinc/11/60/86/368116086.db2.gz POANBDWFRCFKOD-GDBMZVCRSA-N 2 1 288.439 2.112 20 0 CEADMP c1cncc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000344263006 368116629 /nfs/dbraw/zinc/11/66/29/368116629.db2.gz QIILCKHCFFWLPU-NCOADZHNSA-N 2 1 287.407 2.128 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCSCC2)[C@@H](C)C1 ZINC000345170295 368180209 /nfs/dbraw/zinc/18/02/09/368180209.db2.gz QUIHBTDXXYOZFB-GXTWGEPZSA-N 2 1 256.459 2.450 20 0 CEADMP C[C@H](C1CC1)[NH+](C)CCOCC[N@H+](C)[C@@H](C)C1CC1 ZINC000178613212 368306172 /nfs/dbraw/zinc/30/61/72/368306172.db2.gz SMYYYBVKDGWYDC-OKILXGFUSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@H](C1CC1)[N@@H+](C)CCOCC[NH+](C)[C@@H](C)C1CC1 ZINC000178613212 368306178 /nfs/dbraw/zinc/30/61/78/368306178.db2.gz SMYYYBVKDGWYDC-OKILXGFUSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@H](C1CC1)[N@H+](C)CCOCC[NH+](C)[C@@H](C)C1CC1 ZINC000178613212 368306185 /nfs/dbraw/zinc/30/61/85/368306185.db2.gz SMYYYBVKDGWYDC-OKILXGFUSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC[N@@H+]1C ZINC000181814001 368496282 /nfs/dbraw/zinc/49/62/82/368496282.db2.gz PNGSZUSZRGFESI-LJIZCISZSA-N 2 1 278.440 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC[N@H+]1C ZINC000181814001 368496289 /nfs/dbraw/zinc/49/62/89/368496289.db2.gz PNGSZUSZRGFESI-LJIZCISZSA-N 2 1 278.440 2.406 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccnn1C ZINC000682643531 541692250 /nfs/dbraw/zinc/69/22/50/541692250.db2.gz PKKXEOLWPHNHPP-ILXRZTDVSA-N 2 1 278.444 2.232 20 0 CEADMP C[C@H](C[NH+](C)C)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000346189140 368585950 /nfs/dbraw/zinc/58/59/50/368585950.db2.gz FQKKMAKQXBEZTK-BXUZGUMPSA-N 2 1 297.830 2.009 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCO1 ZINC000346196985 368588147 /nfs/dbraw/zinc/58/81/47/368588147.db2.gz PMMKLPPGQNIDKV-GJZGRUSLSA-N 2 1 252.402 2.042 20 0 CEADMP CC(C)[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCO1 ZINC000346196990 368588804 /nfs/dbraw/zinc/58/88/04/368588804.db2.gz PMMKLPPGQNIDKV-LSDHHAIUSA-N 2 1 252.402 2.042 20 0 CEADMP Cc1cccc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC000184555516 368701891 /nfs/dbraw/zinc/70/18/91/368701891.db2.gz JMMCXWKNLCQTHS-AWEZNQCLSA-N 2 1 263.385 2.159 20 0 CEADMP CCC1(CC)CCC[N@@H+](CC(=O)N2CCN(C)CC2)CC1 ZINC000346468007 368685496 /nfs/dbraw/zinc/68/54/96/368685496.db2.gz JXNIKFRRAJPFSM-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)CC1CCCCC1 ZINC000358123543 370914488 /nfs/dbraw/zinc/91/44/88/370914488.db2.gz WHXQPXHAXVZLOF-GOEBONIOSA-N 2 1 268.445 2.249 20 0 CEADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)CC1CCCCC1 ZINC000358123543 370914491 /nfs/dbraw/zinc/91/44/91/370914491.db2.gz WHXQPXHAXVZLOF-GOEBONIOSA-N 2 1 268.445 2.249 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc2c(c1)ncn2C ZINC000346675824 368764836 /nfs/dbraw/zinc/76/48/36/368764836.db2.gz JMRFPHQQXDBLSW-AWEZNQCLSA-N 2 1 274.412 2.379 20 0 CEADMP CCC1(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)CCOCC1 ZINC000346679886 368766342 /nfs/dbraw/zinc/76/63/42/368766342.db2.gz MHBKDXIBUREKFI-CQSZACIVSA-N 2 1 256.434 2.498 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](C)c1ccc(OC)cc1 ZINC000346683550 368768614 /nfs/dbraw/zinc/76/86/14/368768614.db2.gz PABYESGQMQTLBJ-DZGCQCFKSA-N 2 1 262.397 2.483 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](C)c1ccc(OC)cc1 ZINC000346683550 368768622 /nfs/dbraw/zinc/76/86/22/368768622.db2.gz PABYESGQMQTLBJ-DZGCQCFKSA-N 2 1 262.397 2.483 20 0 CEADMP Cc1cccc2ncc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)n21 ZINC000346693431 368776147 /nfs/dbraw/zinc/77/61/47/368776147.db2.gz NBZZDARIBYQBLL-HNNXBMFYSA-N 2 1 274.412 2.448 20 0 CEADMP Cc1cccc2ncc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)n21 ZINC000346693431 368776152 /nfs/dbraw/zinc/77/61/52/368776152.db2.gz NBZZDARIBYQBLL-HNNXBMFYSA-N 2 1 274.412 2.448 20 0 CEADMP Cc1nn(C)c2ncc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc12 ZINC000346687102 368770484 /nfs/dbraw/zinc/77/04/84/368770484.db2.gz VKSSUDZOJLYCOJ-HNNXBMFYSA-N 2 1 289.427 2.082 20 0 CEADMP Cc1nn(C)c2ncc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc12 ZINC000346687102 368770488 /nfs/dbraw/zinc/77/04/88/368770488.db2.gz VKSSUDZOJLYCOJ-HNNXBMFYSA-N 2 1 289.427 2.082 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]([NH3+])C1 ZINC000346646806 368750107 /nfs/dbraw/zinc/75/01/07/368750107.db2.gz MRTHUZYTNCTJNX-INIZCTEOSA-N 2 1 275.440 2.178 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346653444 368754157 /nfs/dbraw/zinc/75/41/57/368754157.db2.gz DOCOPBKLIGGFPR-UMGRQFOVSA-N 2 1 260.381 2.378 20 0 CEADMP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000337356894 291446743 /nfs/dbraw/zinc/44/67/43/291446743.db2.gz AWHXIDPAULAROD-BMFZPTHFSA-N 2 1 266.429 2.002 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000346694669 368777805 /nfs/dbraw/zinc/77/78/05/368777805.db2.gz VMGJVLYKVBMKTP-ZFWWWQNUSA-N 2 1 298.390 2.438 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346838477 368790884 /nfs/dbraw/zinc/79/08/84/368790884.db2.gz XNEGYGPRMOCMQI-UBHSHLNASA-N 2 1 276.428 2.266 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCNC2=O)cc1 ZINC000348115196 368904577 /nfs/dbraw/zinc/90/45/77/368904577.db2.gz YZYYLKCKAPFCAO-BLLLJJGKSA-N 2 1 298.390 2.110 20 0 CEADMP CO[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185717011 368848016 /nfs/dbraw/zinc/84/80/16/368848016.db2.gz AVXBSADRSPNDNQ-HZSPNIEDSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1(C)C ZINC000348312724 368997967 /nfs/dbraw/zinc/99/79/67/368997967.db2.gz REVZICVUXKJAFV-LSDHHAIUSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCCC1 ZINC000348321024 369002132 /nfs/dbraw/zinc/00/21/32/369002132.db2.gz RCJBEBDNWNCPAA-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)O)cc2)CC1 ZINC000186622510 369010005 /nfs/dbraw/zinc/01/00/05/369010005.db2.gz LCSZWZSCZYGNRO-UHFFFAOYSA-N 2 1 262.397 2.098 20 0 CEADMP C([N@@H+]1CCS[C@H]2CCCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634992963 369022540 /nfs/dbraw/zinc/02/25/40/369022540.db2.gz HQZSQGABFWKPMU-DKNRTOFZSA-N 2 1 252.427 2.098 20 0 CEADMP C([N@H+]1CCS[C@H]2CCCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634992963 369022544 /nfs/dbraw/zinc/02/25/44/369022544.db2.gz HQZSQGABFWKPMU-DKNRTOFZSA-N 2 1 252.427 2.098 20 0 CEADMP CCN(CC12CC(C1)C[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000634993994 369023988 /nfs/dbraw/zinc/02/39/88/369023988.db2.gz MZGQGGFKYLQBKM-JLAWEPINSA-N 2 1 299.462 2.335 20 0 CEADMP COc1nc2ccccc2cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999100 369031067 /nfs/dbraw/zinc/03/10/67/369031067.db2.gz PWLZKBPWARAGEY-IUODEOHRSA-N 2 1 285.391 2.270 20 0 CEADMP C([NH+]1CCC2(CCSCC2)CC1)C12CC(C1)C[NH2+]2 ZINC000634998946 369031319 /nfs/dbraw/zinc/03/13/19/369031319.db2.gz NJJZZUWHDLLVGB-UHFFFAOYSA-N 2 1 266.454 2.348 20 0 CEADMP Cc1cc(C)c(C[NH+]2CCC([NH2+]CCO)CC2)cc1C ZINC000635001182 369036346 /nfs/dbraw/zinc/03/63/46/369036346.db2.gz JJFMXGRCJMYQGN-UHFFFAOYSA-N 2 1 276.424 2.158 20 0 CEADMP Fc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1F ZINC000635006036 369042634 /nfs/dbraw/zinc/04/26/34/369042634.db2.gz AMXRQLAIMBAGAB-AEGPPILISA-N 2 1 296.361 2.212 20 0 CEADMP c1cnc2cc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)ccc2n1 ZINC000634951770 368985422 /nfs/dbraw/zinc/98/54/22/368985422.db2.gz GFOKVKKOULMJGD-AWEZNQCLSA-N 2 1 282.391 2.204 20 0 CEADMP Cc1[nH+]ccn1CCCN(CC[NH3+])CCc1ccccc1 ZINC000348754609 369142760 /nfs/dbraw/zinc/14/27/60/369142760.db2.gz BTZRFARSUNISLE-UHFFFAOYSA-N 2 1 286.423 2.085 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000349029767 369224886 /nfs/dbraw/zinc/22/48/86/369224886.db2.gz KCPPMTWFFPTWJX-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000349029767 369224889 /nfs/dbraw/zinc/22/48/89/369224889.db2.gz KCPPMTWFFPTWJX-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+](CC)CC ZINC000349058465 369231419 /nfs/dbraw/zinc/23/14/19/369231419.db2.gz QHTUMYMENMKSOY-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP C[C@H](N[C@H]1C[N@H+](C)C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000349428284 369326484 /nfs/dbraw/zinc/32/64/84/369326484.db2.gz YFCVTULIKPYDRC-OHFALNGGSA-N 2 1 275.440 2.218 20 0 CEADMP C[C@H](N[C@H]1C[N@@H+](C)C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000349428284 369326488 /nfs/dbraw/zinc/32/64/88/369326488.db2.gz YFCVTULIKPYDRC-OHFALNGGSA-N 2 1 275.440 2.218 20 0 CEADMP Cc1ccc2[nH]c(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc2c1C ZINC000349698776 369374146 /nfs/dbraw/zinc/37/41/46/369374146.db2.gz GEQMORAHVMDTAJ-QGZVFWFLSA-N 2 1 289.423 2.187 20 0 CEADMP CC(C)C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccs1 ZINC000358227213 370960401 /nfs/dbraw/zinc/96/04/01/370960401.db2.gz AKZMSVIUZNGMKY-ZFWWWQNUSA-N 2 1 282.453 2.492 20 0 CEADMP CC(C)C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccs1 ZINC000358227213 370960408 /nfs/dbraw/zinc/96/04/08/370960408.db2.gz AKZMSVIUZNGMKY-ZFWWWQNUSA-N 2 1 282.453 2.492 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)CC[NH3+])cc1)C1CC1 ZINC000349959328 369465824 /nfs/dbraw/zinc/46/58/24/369465824.db2.gz IUGJAJVHBVNRCB-ZDUSSCGKSA-N 2 1 289.423 2.138 20 0 CEADMP C[C@H](CCC1CCCC1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358227245 370961180 /nfs/dbraw/zinc/96/11/80/370961180.db2.gz AWCKRFBXRPDYCJ-HIFRSBDPSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H](CCC1CCCC1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358227245 370961188 /nfs/dbraw/zinc/96/11/88/370961188.db2.gz AWCKRFBXRPDYCJ-HIFRSBDPSA-N 2 1 254.418 2.002 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2ccccn2)[C@@H](C)C1 ZINC000246449056 370962842 /nfs/dbraw/zinc/96/28/42/370962842.db2.gz PBMYTJDFUNXQQG-HOCLYGCPSA-N 2 1 261.413 2.334 20 0 CEADMP Cc1cc([C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C2CC2)ccc1F ZINC000358229297 370962921 /nfs/dbraw/zinc/96/29/21/370962921.db2.gz GJFGBIISBVFPMO-DLBZAZTESA-N 2 1 292.398 2.241 20 0 CEADMP Cc1cc([C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C2CC2)ccc1F ZINC000358229297 370962925 /nfs/dbraw/zinc/96/29/25/370962925.db2.gz GJFGBIISBVFPMO-DLBZAZTESA-N 2 1 292.398 2.241 20 0 CEADMP CCc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)s1 ZINC000358265322 370982654 /nfs/dbraw/zinc/98/26/54/370982654.db2.gz ZPPYEOULGHMWSM-BXUZGUMPSA-N 2 1 268.426 2.028 20 0 CEADMP CCc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC000358265322 370982660 /nfs/dbraw/zinc/98/26/60/370982660.db2.gz ZPPYEOULGHMWSM-BXUZGUMPSA-N 2 1 268.426 2.028 20 0 CEADMP CSc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358260600 370978716 /nfs/dbraw/zinc/97/87/16/370978716.db2.gz VGCVIHIZMUMFPK-IUODEOHRSA-N 2 1 280.437 2.126 20 0 CEADMP CSc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358260600 370978721 /nfs/dbraw/zinc/97/87/21/370978721.db2.gz VGCVIHIZMUMFPK-IUODEOHRSA-N 2 1 280.437 2.126 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(O)ccc3C2)CC[N@@H+]1C ZINC000639104356 370981362 /nfs/dbraw/zinc/98/13/62/370981362.db2.gz BNYFEHXRYDKCOT-UHOFOFEASA-N 2 1 274.408 2.322 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(O)ccc3C2)CC[N@H+]1C ZINC000639104356 370981368 /nfs/dbraw/zinc/98/13/68/370981368.db2.gz BNYFEHXRYDKCOT-UHOFOFEASA-N 2 1 274.408 2.322 20 0 CEADMP C[N@@H+]1C[C@H]2CN(Cc3ccc(C(F)F)nc3)C[C@H]2C1 ZINC000639113245 370990331 /nfs/dbraw/zinc/99/03/31/370990331.db2.gz LXODRMIFRPSYEC-TXEJJXNPSA-N 2 1 267.323 2.013 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCN(c4ccccc4)C3)C[C@@H]2C1 ZINC000639113733 370990725 /nfs/dbraw/zinc/99/07/25/370990725.db2.gz STPIYZKIRYJTIN-YESZJQIVSA-N 2 1 285.435 2.006 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)C[C@@H]2C1 ZINC000639113733 370990727 /nfs/dbraw/zinc/99/07/27/370990727.db2.gz STPIYZKIRYJTIN-YESZJQIVSA-N 2 1 285.435 2.006 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCN(c4ccccc4)C3)C[C@@H]2C1 ZINC000639113733 370990730 /nfs/dbraw/zinc/99/07/30/370990730.db2.gz STPIYZKIRYJTIN-YESZJQIVSA-N 2 1 285.435 2.006 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCCC2(CCCCC2)C1)C1CC1 ZINC000351492770 369636498 /nfs/dbraw/zinc/63/64/98/369636498.db2.gz SUQCFSKCJCYICE-INIZCTEOSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC2(CCCCC2)C1)C1CC1 ZINC000351492770 369636502 /nfs/dbraw/zinc/63/65/02/369636502.db2.gz SUQCFSKCJCYICE-INIZCTEOSA-N 2 1 280.456 2.488 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCCC2(CCCCC2)C1)C1CC1 ZINC000351492770 369636504 /nfs/dbraw/zinc/63/65/04/369636504.db2.gz SUQCFSKCJCYICE-INIZCTEOSA-N 2 1 280.456 2.488 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCCC2(CCCCC2)C1)C1CC1 ZINC000351492770 369636506 /nfs/dbraw/zinc/63/65/06/369636506.db2.gz SUQCFSKCJCYICE-INIZCTEOSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000351592801 369642759 /nfs/dbraw/zinc/64/27/59/369642759.db2.gz AOBSRISWLWVSJB-IAGOWNOFSA-N 2 1 279.472 2.421 20 0 CEADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cnn(C)c1 ZINC000191493667 369718197 /nfs/dbraw/zinc/71/81/97/369718197.db2.gz POCNOLSMQIQVTK-UHFFFAOYSA-N 2 1 275.400 2.091 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnn(C)c1 ZINC000191493667 369718204 /nfs/dbraw/zinc/71/82/04/369718204.db2.gz POCNOLSMQIQVTK-UHFFFAOYSA-N 2 1 275.400 2.091 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000191856417 369747625 /nfs/dbraw/zinc/74/76/25/369747625.db2.gz SZFRBUDJLLUOJL-RDJZCZTQSA-N 2 1 274.408 2.448 20 0 CEADMP [NH3+]CCC[N@@H+](CCc1cccnc1)CC1CCCC1 ZINC000352511928 369767585 /nfs/dbraw/zinc/76/75/85/369767585.db2.gz UOZCZWLZSPGAHR-UHFFFAOYSA-N 2 1 261.413 2.465 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000352608123 369804589 /nfs/dbraw/zinc/80/45/89/369804589.db2.gz FUDOTPMVEKKCSZ-JONQDZQNSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000352608123 369804594 /nfs/dbraw/zinc/80/45/94/369804594.db2.gz FUDOTPMVEKKCSZ-JONQDZQNSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000352608123 369804598 /nfs/dbraw/zinc/80/45/98/369804598.db2.gz FUDOTPMVEKKCSZ-JONQDZQNSA-N 2 1 268.445 2.464 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)[NH+]1CCCC1 ZINC000192466325 369816526 /nfs/dbraw/zinc/81/65/26/369816526.db2.gz CJUSXCIBPYCBRL-KFWWJZLASA-N 2 1 254.418 2.121 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000352693476 369841060 /nfs/dbraw/zinc/84/10/60/369841060.db2.gz LRYYSXVZNOVJJO-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000352693476 369841066 /nfs/dbraw/zinc/84/10/66/369841066.db2.gz LRYYSXVZNOVJJO-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1cc(C)n2c(C[N@@H+]3CCCC[C@H]3CC[NH3+])cnc2n1 ZINC000352535030 369776159 /nfs/dbraw/zinc/77/61/59/369776159.db2.gz LOCYJNYRKVAYKD-AWEZNQCLSA-N 2 1 287.411 2.049 20 0 CEADMP Cc1cc(C)n2c(C[N@H+]3CCCC[C@H]3CC[NH3+])cnc2n1 ZINC000352535030 369776161 /nfs/dbraw/zinc/77/61/61/369776161.db2.gz LOCYJNYRKVAYKD-AWEZNQCLSA-N 2 1 287.411 2.049 20 0 CEADMP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c3ccccc32)[C@@H](C)C1 ZINC000192801205 369856072 /nfs/dbraw/zinc/85/60/72/369856072.db2.gz ZLSOWRZVIDBMPZ-UONOGXRCSA-N 2 1 285.391 2.126 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352732926 369858737 /nfs/dbraw/zinc/85/87/37/369858737.db2.gz ADUMAPVEVAYTBW-VXGBXAGGSA-N 2 1 283.441 2.109 20 0 CEADMP Cc1cnn(C)c1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000352736786 369860124 /nfs/dbraw/zinc/86/01/24/369860124.db2.gz NGLUVFYJUCVUJA-CQSZACIVSA-N 2 1 264.417 2.083 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193271996 369914538 /nfs/dbraw/zinc/91/45/38/369914538.db2.gz GVFHNRXRDORXNW-MRXNPFEDSA-N 2 1 288.435 2.486 20 0 CEADMP C=Cn1cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cn1 ZINC000194350576 370029404 /nfs/dbraw/zinc/02/94/04/370029404.db2.gz KNCHNEDXIGWJJX-AWEZNQCLSA-N 2 1 262.401 2.195 20 0 CEADMP C[N@@H+](CCO[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353153938 370043453 /nfs/dbraw/zinc/04/34/53/370043453.db2.gz LEENVFATPXIDOC-VFSICIBPSA-N 2 1 282.428 2.087 20 0 CEADMP C[NH+](CCO[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353153938 370043456 /nfs/dbraw/zinc/04/34/56/370043456.db2.gz LEENVFATPXIDOC-VFSICIBPSA-N 2 1 282.428 2.087 20 0 CEADMP C[NH+](CCO[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353153938 370043457 /nfs/dbraw/zinc/04/34/57/370043457.db2.gz LEENVFATPXIDOC-VFSICIBPSA-N 2 1 282.428 2.087 20 0 CEADMP FC(F)OC[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000353021768 369986492 /nfs/dbraw/zinc/98/64/92/369986492.db2.gz CNNICEVPLXQFMG-ZDUSSCGKSA-N 2 1 276.371 2.424 20 0 CEADMP FC(F)OC[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000353021768 369986497 /nfs/dbraw/zinc/98/64/97/369986497.db2.gz CNNICEVPLXQFMG-ZDUSSCGKSA-N 2 1 276.371 2.424 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(O)c1 ZINC000194888564 370085843 /nfs/dbraw/zinc/08/58/43/370085843.db2.gz CAQLIPGBMGZOQC-GDBMZVCRSA-N 2 1 292.423 2.280 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1C ZINC000353924384 370137644 /nfs/dbraw/zinc/13/76/44/370137644.db2.gz BXOPBDVIUDWJGV-LEOABGAYSA-N 2 1 294.439 2.181 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000353971521 370158063 /nfs/dbraw/zinc/15/80/63/370158063.db2.gz KOGMMXUINQKWOO-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000353971521 370158067 /nfs/dbraw/zinc/15/80/67/370158067.db2.gz KOGMMXUINQKWOO-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000353971520 370158760 /nfs/dbraw/zinc/15/87/60/370158760.db2.gz KOGMMXUINQKWOO-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000353971520 370158764 /nfs/dbraw/zinc/15/87/64/370158764.db2.gz KOGMMXUINQKWOO-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)sn1 ZINC000637904664 370161122 /nfs/dbraw/zinc/16/11/22/370161122.db2.gz FPPQBCRJYRRCRV-UHFFFAOYSA-N 2 1 265.426 2.451 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000354160095 370238085 /nfs/dbraw/zinc/23/80/85/370238085.db2.gz FRYQBXIWRQJFCG-SOUVJXGZSA-N 2 1 254.418 2.123 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000354080608 370208294 /nfs/dbraw/zinc/20/82/94/370208294.db2.gz BIWBZNQRFUZRNP-OAHLLOKOSA-N 2 1 266.385 2.212 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2-n2cncn2)CC1 ZINC000683357929 541796719 /nfs/dbraw/zinc/79/67/19/541796719.db2.gz ZMYWQXXXZGFBNO-MRXNPFEDSA-N 2 1 299.422 2.183 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2-n2cncn2)CC1 ZINC000683357929 541796722 /nfs/dbraw/zinc/79/67/22/541796722.db2.gz ZMYWQXXXZGFBNO-MRXNPFEDSA-N 2 1 299.422 2.183 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC(=O)NCCC(C)(C)C)C[C@@H]1C ZINC000354221585 370267185 /nfs/dbraw/zinc/26/71/85/370267185.db2.gz HJYDCKQUGQGYDQ-GJZGRUSLSA-N 2 1 297.487 2.343 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3nccnc3c2)C1 ZINC000638076089 370283385 /nfs/dbraw/zinc/28/33/85/370283385.db2.gz ISRXZLKMJZLXON-AWEZNQCLSA-N 2 1 270.380 2.013 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC000638076089 370283390 /nfs/dbraw/zinc/28/33/90/370283390.db2.gz ISRXZLKMJZLXON-AWEZNQCLSA-N 2 1 270.380 2.013 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccns3)CC[C@@H]21 ZINC000638179215 370359717 /nfs/dbraw/zinc/35/97/17/370359717.db2.gz QGQKQBKRGMOXGE-YPMHNXCESA-N 2 1 251.399 2.059 20 0 CEADMP c1ccc2c(c1)CC([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000227301487 370365153 /nfs/dbraw/zinc/36/51/53/370365153.db2.gz GYGFLJLDXUMKFU-WBVHZDCISA-N 2 1 256.393 2.370 20 0 CEADMP c1ccc2c(c1)COC[C@@H]2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000226006142 370327586 /nfs/dbraw/zinc/32/75/86/370327586.db2.gz JUKSZUUZYABFBN-INMHGKMJSA-N 2 1 272.392 2.474 20 0 CEADMP Cc1cccc(OCC[N@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC000226435272 370343132 /nfs/dbraw/zinc/34/31/32/370343132.db2.gz IURQNBZLYRYXGE-OAHLLOKOSA-N 2 1 262.397 2.305 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000228497026 370404998 /nfs/dbraw/zinc/40/49/98/370404998.db2.gz POPAQAQHWHYJJI-JQWIXIFHSA-N 2 1 280.799 2.444 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000228497026 370405002 /nfs/dbraw/zinc/40/50/02/370405002.db2.gz POPAQAQHWHYJJI-JQWIXIFHSA-N 2 1 280.799 2.444 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000638335344 370453306 /nfs/dbraw/zinc/45/33/06/370453306.db2.gz MOZQZNZZLHHWMA-WZRBSPASSA-N 2 1 253.415 2.311 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000638337797 370453921 /nfs/dbraw/zinc/45/39/21/370453921.db2.gz KEZPYXCSBBJZNG-ZIAGYGMSSA-N 2 1 279.428 2.341 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@]12CCCO2 ZINC000638338190 370454093 /nfs/dbraw/zinc/45/40/93/370454093.db2.gz SVQDRPDQKJROMO-BZUAXINKSA-N 2 1 284.444 2.033 20 0 CEADMP C[C@@H](C[NH2+]CCCc1cnn(C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000638361534 370470289 /nfs/dbraw/zinc/47/02/89/370470289.db2.gz QLFIMFAUZGMZKB-GJZGRUSLSA-N 2 1 278.444 2.205 20 0 CEADMP C[C@@H](C[NH2+]CCCc1cnn(C)c1)[N@H+]1CCCC[C@@H]1C ZINC000638361534 370470293 /nfs/dbraw/zinc/47/02/93/370470293.db2.gz QLFIMFAUZGMZKB-GJZGRUSLSA-N 2 1 278.444 2.205 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2N)C1 ZINC000638408500 370508105 /nfs/dbraw/zinc/50/81/05/370508105.db2.gz CGZUSZCAHSNBRN-LBPRGKRZSA-N 2 1 265.376 2.229 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2N)C1 ZINC000638408500 370508109 /nfs/dbraw/zinc/50/81/09/370508109.db2.gz CGZUSZCAHSNBRN-LBPRGKRZSA-N 2 1 265.376 2.229 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)C1CCCCC1 ZINC000354721592 370479580 /nfs/dbraw/zinc/47/95/80/370479580.db2.gz BHCLCROWWALIRI-MRXNPFEDSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)C1CCCCC1 ZINC000354721592 370479584 /nfs/dbraw/zinc/47/95/84/370479584.db2.gz BHCLCROWWALIRI-MRXNPFEDSA-N 2 1 279.428 2.455 20 0 CEADMP CC[N@@H+](CCCNC(=O)CCC1C[NH2+]C1)C1CCCCC1 ZINC000638383830 370489271 /nfs/dbraw/zinc/48/92/71/370489271.db2.gz NQJMDQYSCSCNLJ-UHFFFAOYSA-N 2 1 295.471 2.147 20 0 CEADMP CC[NH2+][C@H](C)C(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000638384085 370489305 /nfs/dbraw/zinc/48/93/05/370489305.db2.gz QMPNVPLUYCVGDG-CQSZACIVSA-N 2 1 283.460 2.145 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC000638452031 370541270 /nfs/dbraw/zinc/54/12/70/370541270.db2.gz UEMHZTQERPPDQE-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP CO[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000638589712 370624328 /nfs/dbraw/zinc/62/43/28/370624328.db2.gz XRQOLPWLOLYNQI-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](C)C[C@H]1C ZINC000358344193 371025806 /nfs/dbraw/zinc/02/58/06/371025806.db2.gz VILMNTMWOJTQFZ-ZACQAIPSSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000358344193 371025811 /nfs/dbraw/zinc/02/58/11/371025811.db2.gz VILMNTMWOJTQFZ-ZACQAIPSSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000358344193 371025815 /nfs/dbraw/zinc/02/58/15/371025815.db2.gz VILMNTMWOJTQFZ-ZACQAIPSSA-N 2 1 281.488 2.427 20 0 CEADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC000639177600 371055409 /nfs/dbraw/zinc/05/54/09/371055409.db2.gz VZMAZOGJHYREPW-AWEZNQCLSA-N 2 1 293.374 2.353 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000247058760 371055913 /nfs/dbraw/zinc/05/59/13/371055913.db2.gz PKNDXKBDRBYKAH-KGLIPLIRSA-N 2 1 264.417 2.191 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000247058760 371055920 /nfs/dbraw/zinc/05/59/20/371055920.db2.gz PKNDXKBDRBYKAH-KGLIPLIRSA-N 2 1 264.417 2.191 20 0 CEADMP CC(=O)Nc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000639180253 371061000 /nfs/dbraw/zinc/06/10/00/371061000.db2.gz WBRTZCZMLOFKHF-CXAGYDPISA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000639180253 371061002 /nfs/dbraw/zinc/06/10/02/371061002.db2.gz WBRTZCZMLOFKHF-CXAGYDPISA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000639180253 371061007 /nfs/dbraw/zinc/06/10/07/371061007.db2.gz WBRTZCZMLOFKHF-CXAGYDPISA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000639180253 371061010 /nfs/dbraw/zinc/06/10/10/371061010.db2.gz WBRTZCZMLOFKHF-CXAGYDPISA-N 2 1 289.423 2.417 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc(OC)n2)[C@@H](C)C1 ZINC000247243810 371081881 /nfs/dbraw/zinc/08/18/81/371081881.db2.gz TZJAAYVLRHVCKX-DZGCQCFKSA-N 2 1 277.412 2.252 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639198806 371083764 /nfs/dbraw/zinc/08/37/64/371083764.db2.gz SRLBJCPBUPRDKH-ILXRZTDVSA-N 2 1 283.460 2.144 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639198806 371083770 /nfs/dbraw/zinc/08/37/70/371083770.db2.gz SRLBJCPBUPRDKH-ILXRZTDVSA-N 2 1 283.460 2.144 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247254985 371084082 /nfs/dbraw/zinc/08/40/82/371084082.db2.gz ZZPLRNWQXYDBGV-NUEKZKHPSA-N 2 1 262.397 2.101 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C(C)(C)C ZINC000247999873 371154340 /nfs/dbraw/zinc/15/43/40/371154340.db2.gz KGUDYOBYSOFUJP-KBPBESRZSA-N 2 1 256.434 2.248 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@]12CCCO2 ZINC000639257541 371157828 /nfs/dbraw/zinc/15/78/28/371157828.db2.gz OUBOGKCXZRCIGE-QBPKDAKJSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CCO)c2ccccc2)CC[N@H+]1C ZINC000248174285 371167972 /nfs/dbraw/zinc/16/79/72/371167972.db2.gz VHGAGKUJATZPLF-PVAVHDDUSA-N 2 1 276.424 2.225 20 0 CEADMP Cc1noc(C)c1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000248178094 371168696 /nfs/dbraw/zinc/16/86/96/371168696.db2.gz VZAGYQQXLCDOQQ-JRPNMDOOSA-N 2 1 265.401 2.152 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248215266 371170280 /nfs/dbraw/zinc/17/02/80/371170280.db2.gz ZNIBMUOUHPCDRS-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248215266 371170284 /nfs/dbraw/zinc/17/02/84/371170284.db2.gz ZNIBMUOUHPCDRS-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248215266 371170288 /nfs/dbraw/zinc/17/02/88/371170288.db2.gz ZNIBMUOUHPCDRS-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248215266 371170293 /nfs/dbraw/zinc/17/02/93/371170293.db2.gz ZNIBMUOUHPCDRS-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)sn1 ZINC000639304192 371209558 /nfs/dbraw/zinc/20/95/58/371209558.db2.gz ZSWSDFBASJIHRC-AWEZNQCLSA-N 2 1 295.452 2.138 20 0 CEADMP Cc1cc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)sn1 ZINC000639304192 371209561 /nfs/dbraw/zinc/20/95/61/371209561.db2.gz ZSWSDFBASJIHRC-AWEZNQCLSA-N 2 1 295.452 2.138 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@H](C)c1ccc(Cl)cc1 ZINC000358762604 371209881 /nfs/dbraw/zinc/20/98/81/371209881.db2.gz YOWVSKIYUQBYIE-TYNCELHUSA-N 2 1 284.831 2.344 20 0 CEADMP C[N@H+](Cc1cc(F)cc(F)c1)[C@@H]1CN2CCC1CC2 ZINC000639395569 371307224 /nfs/dbraw/zinc/30/72/24/371307224.db2.gz CHCJSIRIXBXZLK-OAHLLOKOSA-N 2 1 266.335 2.491 20 0 CEADMP C[N@@H+](Cc1cc(F)cc(F)c1)[C@@H]1CN2CCC1CC2 ZINC000639395569 371307228 /nfs/dbraw/zinc/30/72/28/371307228.db2.gz CHCJSIRIXBXZLK-OAHLLOKOSA-N 2 1 266.335 2.491 20 0 CEADMP Cc1ccc(CCC[N@H+](C)[C@@H]2CN3CCC2CC3)cn1 ZINC000639396358 371308679 /nfs/dbraw/zinc/30/86/79/371308679.db2.gz KDAGJVRCIHYINB-QGZVFWFLSA-N 2 1 273.424 2.349 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCc2ccccc2C)[C@H](CN)C1 ZINC000359052925 371319268 /nfs/dbraw/zinc/31/92/68/371319268.db2.gz HFIZQRIEHNLCIA-IRXDYDNUSA-N 2 1 276.424 2.366 20 0 CEADMP CO[C@H]1CC[N@H+](CCCc2ccccc2C)[C@H](C[NH3+])C1 ZINC000359052925 371319273 /nfs/dbraw/zinc/31/92/73/371319273.db2.gz HFIZQRIEHNLCIA-IRXDYDNUSA-N 2 1 276.424 2.366 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCc2ccccc2C)[C@H](C[NH3+])C1 ZINC000359052925 371319275 /nfs/dbraw/zinc/31/92/75/371319275.db2.gz HFIZQRIEHNLCIA-IRXDYDNUSA-N 2 1 276.424 2.366 20 0 CEADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C(C)(C)C)n1 ZINC000250592660 371387592 /nfs/dbraw/zinc/38/75/92/371387592.db2.gz MWWHCBNOWPUVJI-GJZGRUSLSA-N 2 1 290.455 2.434 20 0 CEADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C(C)(C)C)n1 ZINC000250592660 371387597 /nfs/dbraw/zinc/38/75/97/371387597.db2.gz MWWHCBNOWPUVJI-GJZGRUSLSA-N 2 1 290.455 2.434 20 0 CEADMP C(CN1CCCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250867134 371393385 /nfs/dbraw/zinc/39/33/85/371393385.db2.gz RQWOZTDPVLPIJD-BRWVUGGUSA-N 2 1 279.472 2.373 20 0 CEADMP Clc1cccc(OCCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359293145 371414542 /nfs/dbraw/zinc/41/45/42/371414542.db2.gz ATPLVMROJYJMKV-BETUJISGSA-N 2 1 280.799 2.260 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCO[C@@H]2C)CC1 ZINC000639509413 371371505 /nfs/dbraw/zinc/37/15/05/371371505.db2.gz BEZPWOYAYQFXMH-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)[NH+](CC)CC ZINC000359889554 371492185 /nfs/dbraw/zinc/49/21/85/371492185.db2.gz JXEJUYQFXMGZMQ-BZUAXINKSA-N 2 1 297.487 2.296 20 0 CEADMP c1cc2c(cccc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[nH]1 ZINC000252666701 371465183 /nfs/dbraw/zinc/46/51/83/371465183.db2.gz ATDNBUMJAUMUPJ-LSDHHAIUSA-N 2 1 285.391 2.121 20 0 CEADMP c1cc2c(cccc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)[nH]1 ZINC000252666701 371465187 /nfs/dbraw/zinc/46/51/87/371465187.db2.gz ATDNBUMJAUMUPJ-LSDHHAIUSA-N 2 1 285.391 2.121 20 0 CEADMP C[C@H](c1cnccn1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682864 371491903 /nfs/dbraw/zinc/49/19/03/371491903.db2.gz BPJZUIATODKNOS-CQSZACIVSA-N 2 1 283.379 2.145 20 0 CEADMP Cc1nc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cs1 ZINC000336788194 213623759 /nfs/dbraw/zinc/62/37/59/213623759.db2.gz GNERCJCONPEZIF-UHFFFAOYSA-N 2 1 265.426 2.210 20 0 CEADMP CC[N@@H+]1[C@H](C)CN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000639741894 371529372 /nfs/dbraw/zinc/52/93/72/371529372.db2.gz HPUQMIYSUZWLDI-LUKYLMHMSA-N 2 1 281.488 2.379 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)CCC(C)C)CC1 ZINC000360708306 371530252 /nfs/dbraw/zinc/53/02/52/371530252.db2.gz SAZJUFYFDWVEEM-OAHLLOKOSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)CCC(C)C)CC1 ZINC000360708306 371530264 /nfs/dbraw/zinc/53/02/64/371530264.db2.gz SAZJUFYFDWVEEM-OAHLLOKOSA-N 2 1 256.434 2.200 20 0 CEADMP Cc1cncc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639754550 371544178 /nfs/dbraw/zinc/54/41/78/371544178.db2.gz CCBHXJRWQNBLIJ-UHFFFAOYSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cnc([C@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)cn1 ZINC000639754671 371544899 /nfs/dbraw/zinc/54/48/99/371544899.db2.gz DHEHBBJPTXNCJG-AWEZNQCLSA-N 2 1 274.412 2.264 20 0 CEADMP CC(C)n1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639757358 371546744 /nfs/dbraw/zinc/54/67/44/371546744.db2.gz GYSDCXSLEGQRMQ-UHFFFAOYSA-N 2 1 276.428 2.382 20 0 CEADMP CCc1ccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000639761133 371548897 /nfs/dbraw/zinc/54/88/97/371548897.db2.gz DLTQAJDEQVJBSE-KRWDZBQOSA-N 2 1 276.424 2.138 20 0 CEADMP CCc1ccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000639761133 371548900 /nfs/dbraw/zinc/54/89/00/371548900.db2.gz DLTQAJDEQVJBSE-KRWDZBQOSA-N 2 1 276.424 2.138 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2c3c(nn2C)CCCC3)[C@@H](C)C1 ZINC000361005308 371592440 /nfs/dbraw/zinc/59/24/40/371592440.db2.gz URQSLZRSIBHYLJ-ZFWWWQNUSA-N 2 1 290.455 2.119 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2c3c(nn2C)CCCC3)[C@@H](C)C1 ZINC000361005308 371592445 /nfs/dbraw/zinc/59/24/45/371592445.db2.gz URQSLZRSIBHYLJ-ZFWWWQNUSA-N 2 1 290.455 2.119 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c3c(nn2C)CCCC3)[C@@H](C)C1 ZINC000361005308 371592454 /nfs/dbraw/zinc/59/24/54/371592454.db2.gz URQSLZRSIBHYLJ-ZFWWWQNUSA-N 2 1 290.455 2.119 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000261588169 371665468 /nfs/dbraw/zinc/66/54/68/371665468.db2.gz KATUGXZPJCAENI-IPYPFGDCSA-N 2 1 264.417 2.382 20 0 CEADMP Clc1cccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261601499 371673581 /nfs/dbraw/zinc/67/35/81/371673581.db2.gz QCBCHELRQQWSRM-WFASDCNBSA-N 2 1 280.799 2.403 20 0 CEADMP Clc1cccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261601499 371673586 /nfs/dbraw/zinc/67/35/86/371673586.db2.gz QCBCHELRQQWSRM-WFASDCNBSA-N 2 1 280.799 2.403 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000261601878 371673714 /nfs/dbraw/zinc/67/37/14/371673714.db2.gz BXMZDBFVZHXKIP-KRWDZBQOSA-N 2 1 290.407 2.198 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000261601878 371673717 /nfs/dbraw/zinc/67/37/17/371673717.db2.gz BXMZDBFVZHXKIP-KRWDZBQOSA-N 2 1 290.407 2.198 20 0 CEADMP c1ccc2c(c1)CCC[C@H]2[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261609301 371677122 /nfs/dbraw/zinc/67/71/22/371677122.db2.gz DPXRKECSYAELES-FUHWJXTLSA-N 2 1 285.435 2.044 20 0 CEADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261609297 371677576 /nfs/dbraw/zinc/67/75/76/371677576.db2.gz DPXRKECSYAELES-AEFFLSMTSA-N 2 1 285.435 2.044 20 0 CEADMP CN(C[C@@]1(C)CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261547067 371641540 /nfs/dbraw/zinc/64/15/40/371641540.db2.gz LSIIXEFFHWJJEN-ROUUACIJSA-N 2 1 287.451 2.192 20 0 CEADMP CN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261547066 371641785 /nfs/dbraw/zinc/64/17/85/371641785.db2.gz LSIIXEFFHWJJEN-QZTJIDSGSA-N 2 1 287.451 2.192 20 0 CEADMP COCC[NH+]1CCC(Nc2cc3c(c[nH+]2)CCCC3)CC1 ZINC000361188001 371705115 /nfs/dbraw/zinc/70/51/15/371705115.db2.gz KFBFEHDIGDEITN-UHFFFAOYSA-N 2 1 289.423 2.483 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)cn1 ZINC000261717636 371710607 /nfs/dbraw/zinc/71/06/07/371710607.db2.gz PSBUQKKFVXZVBR-RDJZCZTQSA-N 2 1 282.391 2.056 20 0 CEADMP Cn1c[nH+]cc1CCCN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983354 371710955 /nfs/dbraw/zinc/71/09/55/371710955.db2.gz FILVUTGBVJGVGM-UHFFFAOYSA-N 2 1 290.455 2.303 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@H](Nc3ccccc3)C2)CC[NH2+]C1 ZINC000261754467 371721335 /nfs/dbraw/zinc/72/13/35/371721335.db2.gz KMDNOLDJWPWPLS-HOTGVXAUSA-N 2 1 259.397 2.172 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](CCCC(=O)NCC(C)C)CC1 ZINC000640015097 371735089 /nfs/dbraw/zinc/73/50/89/371735089.db2.gz DERHZYOQIFBPHM-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP Fc1cccnc1O[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261656541 371693399 /nfs/dbraw/zinc/69/33/99/371693399.db2.gz BKHSCAUKKLRBAF-AWEZNQCLSA-N 2 1 293.386 2.064 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1(C)CC1 ZINC000361175131 371699296 /nfs/dbraw/zinc/69/92/96/371699296.db2.gz LGNKGXCXPDRHQC-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000361182532 371701388 /nfs/dbraw/zinc/70/13/88/371701388.db2.gz CKUIPQSNJNCVPV-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP COc1ccccc1CC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261685831 371701526 /nfs/dbraw/zinc/70/15/26/371701526.db2.gz AKUAAEJTQZCKTE-MRXNPFEDSA-N 2 1 262.397 2.169 20 0 CEADMP CCOc1ccc2c(c1)CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000261688479 371701621 /nfs/dbraw/zinc/70/16/21/371701621.db2.gz ASAYLHKQFSPAJY-KRWDZBQOSA-N 2 1 274.408 2.443 20 0 CEADMP CCOc1ccc2c(c1)CC[N@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000261688479 371701627 /nfs/dbraw/zinc/70/16/27/371701627.db2.gz ASAYLHKQFSPAJY-KRWDZBQOSA-N 2 1 274.408 2.443 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261924151 371772386 /nfs/dbraw/zinc/77/23/86/371772386.db2.gz KWNDETZIJRLMDJ-JSGCOSHPSA-N 2 1 264.417 2.332 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261924151 371772396 /nfs/dbraw/zinc/77/23/96/371772396.db2.gz KWNDETZIJRLMDJ-JSGCOSHPSA-N 2 1 264.417 2.332 20 0 CEADMP CC(C)CC[C@@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000361316147 371776536 /nfs/dbraw/zinc/77/65/36/371776536.db2.gz OWKUGGWANKBBHY-OAHLLOKOSA-N 2 1 256.434 2.246 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261939258 371777216 /nfs/dbraw/zinc/77/72/16/371777216.db2.gz MLKFPZZWGRLIRA-LLVKDONJSA-N 2 1 276.409 2.180 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261939258 371777227 /nfs/dbraw/zinc/77/72/27/371777227.db2.gz MLKFPZZWGRLIRA-LLVKDONJSA-N 2 1 276.409 2.180 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000361327647 371783678 /nfs/dbraw/zinc/78/36/78/371783678.db2.gz ZPAHNARMAYGBLA-CABCVRRESA-N 2 1 256.434 2.200 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1(C)CC1 ZINC000361344034 371796342 /nfs/dbraw/zinc/79/63/42/371796342.db2.gz BCDFQYAAFFZROS-KGLIPLIRSA-N 2 1 254.418 2.002 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](CC1CCC1)[C@H](C)CO ZINC000361492348 371874049 /nfs/dbraw/zinc/87/40/49/371874049.db2.gz GXULSXZFZDVLCJ-CYBMUJFWSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](CC1CCC1)[C@H](C)CO ZINC000361492348 371874051 /nfs/dbraw/zinc/87/40/51/371874051.db2.gz GXULSXZFZDVLCJ-CYBMUJFWSA-N 2 1 265.401 2.065 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(-n2ccnc2)c1 ZINC000361493156 371875823 /nfs/dbraw/zinc/87/58/23/371875823.db2.gz QEKVSEOEGTUKLM-PBHICJAKSA-N 2 1 284.407 2.302 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263076543 371929109 /nfs/dbraw/zinc/92/91/09/371929109.db2.gz XCNHMEQXZVJXSW-AESZEHBQSA-N 2 1 295.471 2.131 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000344147471 217072919 /nfs/dbraw/zinc/07/29/19/217072919.db2.gz DGUONRJZPWBUKI-ZFWWWQNUSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000344147471 217072920 /nfs/dbraw/zinc/07/29/20/217072920.db2.gz DGUONRJZPWBUKI-ZFWWWQNUSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1cc(C[N@H+](C)CCCC[NH+]2CCCCC2)nn1C ZINC000640532126 372021633 /nfs/dbraw/zinc/02/16/33/372021633.db2.gz ABIAEJZKPDUNAU-UHFFFAOYSA-N 2 1 278.444 2.426 20 0 CEADMP Cc1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)nn1C ZINC000640532126 372021641 /nfs/dbraw/zinc/02/16/41/372021641.db2.gz ABIAEJZKPDUNAU-UHFFFAOYSA-N 2 1 278.444 2.426 20 0 CEADMP CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532924 372022133 /nfs/dbraw/zinc/02/21/33/372022133.db2.gz LIUKAUCGBRVPDQ-MRXNPFEDSA-N 2 1 297.487 2.440 20 0 CEADMP CC[NH+]1[C@H](C)CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1C ZINC000640608689 372064736 /nfs/dbraw/zinc/06/47/36/372064736.db2.gz ZTRRCMGNMGDLGP-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1[C@H](C)CN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1C ZINC000640608689 372064743 /nfs/dbraw/zinc/06/47/43/372064743.db2.gz ZTRRCMGNMGDLGP-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2cccnc2)CC1 ZINC000344248934 217118219 /nfs/dbraw/zinc/11/82/19/217118219.db2.gz GYXYAJORXOTYLK-SJORKVTESA-N 2 1 289.423 2.374 20 0 CEADMP COCCC[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362107074 372225382 /nfs/dbraw/zinc/22/53/82/372225382.db2.gz SQWUNXROKOWUBE-AWEZNQCLSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)cc1 ZINC000268807356 372231512 /nfs/dbraw/zinc/23/15/12/372231512.db2.gz FZUVKIKDKRUILS-IUODEOHRSA-N 2 1 298.390 2.062 20 0 CEADMP Cc1cc(C)c(Cn2cc([C@H]([NH3+])C(C)C)nn2)c(C)[nH+]1 ZINC000641187814 372379893 /nfs/dbraw/zinc/37/98/93/372379893.db2.gz SJTXGAIJLBNSGY-OAHLLOKOSA-N 2 1 273.384 2.302 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)OC ZINC000362975969 372599941 /nfs/dbraw/zinc/59/99/41/372599941.db2.gz IDPWXXVSCOJKEO-JARUQAPTSA-N 2 1 256.434 2.366 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccncc2N)C1 ZINC000641708049 372644463 /nfs/dbraw/zinc/64/44/63/372644463.db2.gz VZTLILIQQUHGLO-AWEZNQCLSA-N 2 1 276.428 2.266 20 0 CEADMP C[C@@H]([NH2+]Cc1ccncc1N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000641747564 372680164 /nfs/dbraw/zinc/68/01/64/372680164.db2.gz LGUJASZUXHFCDL-HIFRSBDPSA-N 2 1 288.439 2.406 20 0 CEADMP C[C@@H]([NH2+]Cc1ccncc1N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000641747564 372680170 /nfs/dbraw/zinc/68/01/70/372680170.db2.gz LGUJASZUXHFCDL-HIFRSBDPSA-N 2 1 288.439 2.406 20 0 CEADMP CCN(C)C(=O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000364346940 372733888 /nfs/dbraw/zinc/73/38/88/372733888.db2.gz KPUIQAHXVIRAEL-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)sn1 ZINC000641800593 372741529 /nfs/dbraw/zinc/74/15/29/372741529.db2.gz ZJCLMSINTJGTSG-DGCLKSJQSA-N 2 1 251.399 2.107 20 0 CEADMP c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)sn1 ZINC000641800593 372741540 /nfs/dbraw/zinc/74/15/40/372741540.db2.gz ZJCLMSINTJGTSG-DGCLKSJQSA-N 2 1 251.399 2.107 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1C ZINC000641809294 372756459 /nfs/dbraw/zinc/75/64/59/372756459.db2.gz VTTZPDHMPYDGLF-QEJZJMRPSA-N 2 1 289.423 2.346 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccccc1Cl ZINC000641808293 372757046 /nfs/dbraw/zinc/75/70/46/372757046.db2.gz UIPYOYCBSVGAKL-ZWKOPEQDSA-N 2 1 295.814 2.382 20 0 CEADMP COC(=O)[C@H](c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000344577050 217236245 /nfs/dbraw/zinc/23/62/45/217236245.db2.gz FNMJWCARYMAMTI-INIZCTEOSA-N 2 1 290.407 2.174 20 0 CEADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000353459911 220096170 /nfs/dbraw/zinc/09/61/70/220096170.db2.gz NDSOFZPJAWOYNY-OAGGEKHMSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000353459922 220096288 /nfs/dbraw/zinc/09/62/88/220096288.db2.gz NDSOFZPJAWOYNY-XHSDSOJGSA-N 2 1 295.471 2.001 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000344676555 217272750 /nfs/dbraw/zinc/27/27/50/217272750.db2.gz ULTLBZMRYXRRMZ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344676555 217272752 /nfs/dbraw/zinc/27/27/52/217272752.db2.gz ULTLBZMRYXRRMZ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344676555 217272754 /nfs/dbraw/zinc/27/27/54/217272754.db2.gz ULTLBZMRYXRRMZ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000353496091 220118480 /nfs/dbraw/zinc/11/84/80/220118480.db2.gz KLKJVDZORBVLIU-NXOAAHMSSA-N 2 1 280.456 2.390 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353521117 220134563 /nfs/dbraw/zinc/13/45/63/220134563.db2.gz OZOMAERFSAKTBW-VQHPVUNQSA-N 2 1 279.472 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353521117 220134566 /nfs/dbraw/zinc/13/45/66/220134566.db2.gz OZOMAERFSAKTBW-VQHPVUNQSA-N 2 1 279.472 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353521117 220134567 /nfs/dbraw/zinc/13/45/67/220134567.db2.gz OZOMAERFSAKTBW-VQHPVUNQSA-N 2 1 279.472 2.181 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353521117 220134569 /nfs/dbraw/zinc/13/45/69/220134569.db2.gz OZOMAERFSAKTBW-VQHPVUNQSA-N 3 1 279.472 2.181 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353521117 220134571 /nfs/dbraw/zinc/13/45/71/220134571.db2.gz OZOMAERFSAKTBW-VQHPVUNQSA-N 3 1 279.472 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353521117 220134573 /nfs/dbraw/zinc/13/45/73/220134573.db2.gz OZOMAERFSAKTBW-VQHPVUNQSA-N 3 1 279.472 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353521117 220134575 /nfs/dbraw/zinc/13/45/75/220134575.db2.gz OZOMAERFSAKTBW-VQHPVUNQSA-N 3 1 279.472 2.181 20 0 CEADMP c1[nH]nc2cc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)ccc12 ZINC000367467727 373158671 /nfs/dbraw/zinc/15/86/71/373158671.db2.gz UXCWDDAQVGCUJP-NUJGCVRESA-N 2 1 296.418 2.479 20 0 CEADMP c1[nH]nc2cc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)ccc12 ZINC000367467727 373158675 /nfs/dbraw/zinc/15/86/75/373158675.db2.gz UXCWDDAQVGCUJP-NUJGCVRESA-N 2 1 296.418 2.479 20 0 CEADMP c1[nH]nc2cc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)ccc12 ZINC000367467727 373158681 /nfs/dbraw/zinc/15/86/81/373158681.db2.gz UXCWDDAQVGCUJP-NUJGCVRESA-N 2 1 296.418 2.479 20 0 CEADMP C([NH2+][C@H]1CCCC12CCOCC2)[C@@H]1CCCC[NH2+]1 ZINC000643502826 373161824 /nfs/dbraw/zinc/16/18/24/373161824.db2.gz SPPYRNYSUFOWJY-KBPBESRZSA-N 2 1 252.402 2.067 20 0 CEADMP CO[C@@H](CC[NH2+]Cc1c[nH+]ccc1N(C)C)C(F)(F)F ZINC000344850276 217333517 /nfs/dbraw/zinc/33/35/17/217333517.db2.gz DFVZPQPEFVAWPM-LBPRGKRZSA-N 2 1 291.317 2.205 20 0 CEADMP c1cncc([C@@H]2CCC[C@@H]([NH2+]CC[NH2+]C3CC3)C2)c1 ZINC000643507576 373169179 /nfs/dbraw/zinc/16/91/79/373169179.db2.gz JAEZBCMFWXADPC-CZUORRHYSA-N 2 1 259.397 2.449 20 0 CEADMP CC(C)c1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])on1 ZINC000643455267 373124694 /nfs/dbraw/zinc/12/46/94/373124694.db2.gz SSDCUSYLXVPMIM-DGCLKSJQSA-N 2 1 251.374 2.405 20 0 CEADMP CC(C)c1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)on1 ZINC000643455039 373125668 /nfs/dbraw/zinc/12/56/68/373125668.db2.gz ZIIBNIOPTCLAHS-DGCLKSJQSA-N 2 1 251.374 2.276 20 0 CEADMP c1cnn(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)c1 ZINC000643457241 373127399 /nfs/dbraw/zinc/12/73/99/373127399.db2.gz LMBCJTYOASNGCU-WFFDWFOESA-N 2 1 296.418 2.497 20 0 CEADMP COC[C@H](CCC[NH3+])[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC000643465996 373134964 /nfs/dbraw/zinc/13/49/64/373134964.db2.gz JAYKQVAJWCOFHV-QMMMGPOBSA-N 2 1 294.292 2.087 20 0 CEADMP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000643472504 373141622 /nfs/dbraw/zinc/14/16/22/373141622.db2.gz JBEKIYOPNKJZCZ-XHDPSFHLSA-N 2 1 277.412 2.185 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)ncn1 ZINC000643476404 373143104 /nfs/dbraw/zinc/14/31/04/373143104.db2.gz XLQPGNWJMLICTN-BZUAXINKSA-N 2 1 274.412 2.185 20 0 CEADMP CC(C)OC1CCC([NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000643475883 373144340 /nfs/dbraw/zinc/14/43/40/373144340.db2.gz VZBLVPDBSVXMND-URGYJCLVSA-N 2 1 254.418 2.310 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271912466 373212016 /nfs/dbraw/zinc/21/20/16/373212016.db2.gz YFJSGYVCUVQUSH-AWEZNQCLSA-N 2 1 274.408 2.478 20 0 CEADMP CCc1ncc(C[NH2+]CC2=CC[N@@H+](C)CC2)s1 ZINC000271930341 373220240 /nfs/dbraw/zinc/22/02/40/373220240.db2.gz WIUQJWPCYLACPQ-UHFFFAOYSA-N 2 1 251.399 2.057 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@@H](C)[NH3+])ccc1OC(F)F ZINC000643526201 373183025 /nfs/dbraw/zinc/18/30/25/373183025.db2.gz UKCADOCSNLTFOV-BDAKNGLRSA-N 2 1 274.311 2.294 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@H](C)[NH3+])ccc1SC ZINC000643526923 373183389 /nfs/dbraw/zinc/18/33/89/373183389.db2.gz BHOWCSSDRJTLCF-UWVGGRQHSA-N 2 1 254.399 2.415 20 0 CEADMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000369053213 373322972 /nfs/dbraw/zinc/32/29/72/373322972.db2.gz CEZZEEMAHWUQDV-KGLIPLIRSA-N 2 1 292.427 2.120 20 0 CEADMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000369053213 373322980 /nfs/dbraw/zinc/32/29/80/373322980.db2.gz CEZZEEMAHWUQDV-KGLIPLIRSA-N 2 1 292.427 2.120 20 0 CEADMP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)Nc1ccccc1 ZINC000644521981 373508351 /nfs/dbraw/zinc/50/83/51/373508351.db2.gz MKWOCPMOUYJNOR-JKSUJKDBSA-N 2 1 287.407 2.232 20 0 CEADMP O=C(CC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)Nc1ccccc1 ZINC000644521981 373508354 /nfs/dbraw/zinc/50/83/54/373508354.db2.gz MKWOCPMOUYJNOR-JKSUJKDBSA-N 2 1 287.407 2.232 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)C(F)(F)F)C1 ZINC000644522522 373509247 /nfs/dbraw/zinc/50/92/47/373509247.db2.gz PBOQTUSLXRUCMN-XQQFMLRXSA-N 2 1 296.377 2.257 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CCC(C)C)C1 ZINC000644529893 373512664 /nfs/dbraw/zinc/51/26/64/373512664.db2.gz IYBSAZYHGXHSFX-GJZGRUSLSA-N 2 1 256.434 2.105 20 0 CEADMP CC/C=C/C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644657910 373586795 /nfs/dbraw/zinc/58/67/95/373586795.db2.gz IQWFLFBWYLBWDK-KZJSRBBCSA-N 2 1 262.397 2.035 20 0 CEADMP CC/C=C/C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644657910 373586801 /nfs/dbraw/zinc/58/68/01/373586801.db2.gz IQWFLFBWYLBWDK-KZJSRBBCSA-N 2 1 262.397 2.035 20 0 CEADMP Cc1nnc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000353637423 220214409 /nfs/dbraw/zinc/21/44/09/220214409.db2.gz QCUGDNFOORZYCN-SNVBAGLBSA-N 2 1 279.413 2.482 20 0 CEADMP C[C@@H](O)C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000644607300 373556093 /nfs/dbraw/zinc/55/60/93/373556093.db2.gz DZQVMFAEZSAJBO-BFYDXBDKSA-N 2 1 276.424 2.258 20 0 CEADMP CC(C)=CCC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644631162 373572203 /nfs/dbraw/zinc/57/22/03/373572203.db2.gz HVWXEPIZUPSDGS-QGZVFWFLSA-N 2 1 276.424 2.425 20 0 CEADMP CC(C)=CCC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644631162 373572208 /nfs/dbraw/zinc/57/22/08/373572208.db2.gz HVWXEPIZUPSDGS-QGZVFWFLSA-N 2 1 276.424 2.425 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272851481 373681011 /nfs/dbraw/zinc/68/10/11/373681011.db2.gz SOWXVVUNALTZBA-DZOHQFGASA-N 2 1 288.435 2.400 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000370750335 373740423 /nfs/dbraw/zinc/74/04/23/373740423.db2.gz PPJJUPJHRFGJEQ-AWEZNQCLSA-N 2 1 299.422 2.284 20 0 CEADMP Cc1cccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1C ZINC000289548541 197397691 /nfs/dbraw/zinc/39/76/91/197397691.db2.gz OQXCECHMKQKPCO-HOCLYGCPSA-N 2 1 276.424 2.409 20 0 CEADMP Cc1cccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1C ZINC000289548541 197397692 /nfs/dbraw/zinc/39/76/92/197397692.db2.gz OQXCECHMKQKPCO-HOCLYGCPSA-N 2 1 276.424 2.409 20 0 CEADMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000371265361 373826958 /nfs/dbraw/zinc/82/69/58/373826958.db2.gz ZJXKAWFFPYZOHV-HIFRSBDPSA-N 2 1 281.444 2.027 20 0 CEADMP CC(C)CCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000372676869 374175568 /nfs/dbraw/zinc/17/55/68/374175568.db2.gz RVGKCMJYRQKBEX-INIZCTEOSA-N 2 1 267.461 2.134 20 0 CEADMP C[C@@H](CO)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000684004946 541906367 /nfs/dbraw/zinc/90/63/67/541906367.db2.gz ICKLEVGTLDEATP-CYBMUJFWSA-N 2 1 277.412 2.027 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC[C@@H]3CCOC3)CC[C@H]21 ZINC000645815922 374203703 /nfs/dbraw/zinc/20/37/03/374203703.db2.gz CRAAYQUPNHQUNY-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)CC[C@H]21 ZINC000645815922 374203708 /nfs/dbraw/zinc/20/37/08/374203708.db2.gz CRAAYQUPNHQUNY-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)CC[C@H]21 ZINC000645815922 374203716 /nfs/dbraw/zinc/20/37/16/374203716.db2.gz CRAAYQUPNHQUNY-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC000276633032 374245168 /nfs/dbraw/zinc/24/51/68/374245168.db2.gz ORAWLDZDXLVORK-UHFFFAOYSA-N 2 1 288.439 2.278 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCSC1 ZINC000373265174 374310902 /nfs/dbraw/zinc/31/09/02/374310902.db2.gz UBPXTXZZQFUKRW-MCIONIFRSA-N 2 1 254.443 2.298 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ncc[nH]1 ZINC000373342777 374332375 /nfs/dbraw/zinc/33/23/75/374332375.db2.gz CPQXVEZTMWPERA-IJEWVQPXSA-N 2 1 299.422 2.366 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+]CCn1cc[nH+]c1C)C2 ZINC000276973756 374365025 /nfs/dbraw/zinc/36/50/25/374365025.db2.gz CMBXHHJTZLOKOK-HNNXBMFYSA-N 2 1 285.391 2.347 20 0 CEADMP Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277161824 374422129 /nfs/dbraw/zinc/42/21/29/374422129.db2.gz KFBOLXXJSSJXPO-SJORKVTESA-N 2 1 276.424 2.445 20 0 CEADMP Cn1ccc(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000374285281 374531557 /nfs/dbraw/zinc/53/15/57/374531557.db2.gz YMKHBNAEJBYKCN-CQSZACIVSA-N 2 1 288.439 2.116 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000374336452 374543326 /nfs/dbraw/zinc/54/33/26/374543326.db2.gz FVPRNGAKCHWZNQ-OAHLLOKOSA-N 2 1 264.413 2.162 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000374419440 374569378 /nfs/dbraw/zinc/56/93/78/374569378.db2.gz HIXUZDMPRYBOQQ-ZACQAIPSSA-N 2 1 274.408 2.370 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C)CC1(C)C ZINC000334213172 206199569 /nfs/dbraw/zinc/19/95/69/206199569.db2.gz INCNELJLKCXDDS-HNNXBMFYSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@H+](C)CC1(C)C ZINC000334213172 206199573 /nfs/dbraw/zinc/19/95/73/206199573.db2.gz INCNELJLKCXDDS-HNNXBMFYSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@@H+](C)CC1(C)C ZINC000334213172 206199574 /nfs/dbraw/zinc/19/95/74/206199574.db2.gz INCNELJLKCXDDS-HNNXBMFYSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C)CC1(C)C ZINC000334213191 206199609 /nfs/dbraw/zinc/19/96/09/206199609.db2.gz INCNELJLKCXDDS-OAHLLOKOSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@H+](C)CC1(C)C ZINC000334213191 206199610 /nfs/dbraw/zinc/19/96/10/206199610.db2.gz INCNELJLKCXDDS-OAHLLOKOSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@@H+](C)CC1(C)C ZINC000334213191 206199613 /nfs/dbraw/zinc/19/96/13/206199613.db2.gz INCNELJLKCXDDS-OAHLLOKOSA-N 2 1 267.461 2.275 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)cn1 ZINC000334231096 206226667 /nfs/dbraw/zinc/22/66/67/206226667.db2.gz KWYHMJDVHKCDDS-SFHVURJKSA-N 2 1 296.418 2.448 20 0 CEADMP O=c1[nH]ccc2c1C[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC000375980764 374691607 /nfs/dbraw/zinc/69/16/07/374691607.db2.gz MNBCIZSKTQPIKW-UHFFFAOYSA-N 2 1 275.396 2.021 20 0 CEADMP O=c1[nH]ccc2c1C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000375980764 374691615 /nfs/dbraw/zinc/69/16/15/374691615.db2.gz MNBCIZSKTQPIKW-UHFFFAOYSA-N 2 1 275.396 2.021 20 0 CEADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@H]1CCCC13CCOCC3)C2 ZINC000376740563 374724992 /nfs/dbraw/zinc/72/49/92/374724992.db2.gz WLWAIQWHUXKLHS-GJZGRUSLSA-N 2 1 289.423 2.384 20 0 CEADMP Cn1ccnc1[C@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000377191004 374811151 /nfs/dbraw/zinc/81/11/51/374811151.db2.gz ZQWMBMRFPHBYIO-LBPRGKRZSA-N 2 1 287.367 2.060 20 0 CEADMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000377191004 374811157 /nfs/dbraw/zinc/81/11/57/374811157.db2.gz ZQWMBMRFPHBYIO-LBPRGKRZSA-N 2 1 287.367 2.060 20 0 CEADMP CC1(C)C[N@H+](CCC[NH+]2CCCC2)[C@H]1[C@H]1CCCO1 ZINC000377673531 374918772 /nfs/dbraw/zinc/91/87/72/374918772.db2.gz KHQGOOKORQSXHT-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP CC1(C)C[N@@H+](CCC[NH+]2CCCC2)[C@H]1[C@H]1CCCO1 ZINC000377673531 374918775 /nfs/dbraw/zinc/91/87/75/374918775.db2.gz KHQGOOKORQSXHT-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCc3[nH+]ccn32)cc1 ZINC000377675676 374918919 /nfs/dbraw/zinc/91/89/19/374918919.db2.gz LTFOTILWQAQGRC-HNNXBMFYSA-N 2 1 298.390 2.461 20 0 CEADMP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000377702219 374929279 /nfs/dbraw/zinc/92/92/79/374929279.db2.gz PWQKMEBICRKHBM-UONOGXRCSA-N 2 1 270.380 2.500 20 0 CEADMP Cc1nccn1-c1cccc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)n1 ZINC000377976198 374991456 /nfs/dbraw/zinc/99/14/56/374991456.db2.gz ILRFTWRCTOEHBG-TZMCWYRMSA-N 2 1 297.406 2.035 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1 ZINC000377976198 374991464 /nfs/dbraw/zinc/99/14/64/374991464.db2.gz ILRFTWRCTOEHBG-TZMCWYRMSA-N 2 1 297.406 2.035 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)n1 ZINC000377976198 374991468 /nfs/dbraw/zinc/99/14/68/374991468.db2.gz ILRFTWRCTOEHBG-TZMCWYRMSA-N 2 1 297.406 2.035 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2C)[C@@H]1C ZINC000279811627 374996377 /nfs/dbraw/zinc/99/63/77/374996377.db2.gz FRSOYLHXRXATIM-SNPRPXQTSA-N 2 1 293.411 2.149 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCC1CC1 ZINC000378401258 375093042 /nfs/dbraw/zinc/09/30/42/375093042.db2.gz JELMHNGXSWOTNS-FVQBIDKESA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000379627358 375153938 /nfs/dbraw/zinc/15/39/38/375153938.db2.gz MWUVIBAJXCKTOM-KBAYOESNSA-N 2 1 287.451 2.381 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000378517815 375121414 /nfs/dbraw/zinc/12/14/14/375121414.db2.gz KAQOOJDUXJJAAP-IAGOWNOFSA-N 2 1 292.398 2.203 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000378517815 375121419 /nfs/dbraw/zinc/12/14/19/375121419.db2.gz KAQOOJDUXJJAAP-IAGOWNOFSA-N 2 1 292.398 2.203 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000378517815 375121423 /nfs/dbraw/zinc/12/14/23/375121423.db2.gz KAQOOJDUXJJAAP-IAGOWNOFSA-N 2 1 292.398 2.203 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000378517815 375121428 /nfs/dbraw/zinc/12/14/28/375121428.db2.gz KAQOOJDUXJJAAP-IAGOWNOFSA-N 2 1 292.398 2.203 20 0 CEADMP Cc1ccc(OCCC[N@@H+](C)[C@H](C)CN)cc1C ZINC000383014020 375196992 /nfs/dbraw/zinc/19/69/92/375196992.db2.gz GHFXGTBGWQVSIT-CQSZACIVSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1ccc(OCCC[N@H+](C)[C@H](C)CN)cc1C ZINC000383014020 375196999 /nfs/dbraw/zinc/19/69/99/375196999.db2.gz GHFXGTBGWQVSIT-CQSZACIVSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1ccc(OCCC[N@@H+](C)[C@H](C)C[NH3+])cc1C ZINC000383014020 375197003 /nfs/dbraw/zinc/19/70/03/375197003.db2.gz GHFXGTBGWQVSIT-CQSZACIVSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1ccc(OCCC[N@H+](C)[C@H](C)C[NH3+])cc1C ZINC000383014020 375197008 /nfs/dbraw/zinc/19/70/08/375197008.db2.gz GHFXGTBGWQVSIT-CQSZACIVSA-N 2 1 250.386 2.351 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000387529763 375277671 /nfs/dbraw/zinc/27/76/71/375277671.db2.gz MAHURCSGCBNVFU-CQSZACIVSA-N 2 1 283.460 2.001 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(C)c(F)c1 ZINC000388809290 375295234 /nfs/dbraw/zinc/29/52/34/375295234.db2.gz VBFQJFKOGJNXRG-OCCSQVGLSA-N 2 1 268.376 2.097 20 0 CEADMP C[C@H](NC[C@H](c1ccco1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000386532167 375262073 /nfs/dbraw/zinc/26/20/73/375262073.db2.gz AUVNEZYNKWPCGN-MELADBBJSA-N 2 1 265.401 2.003 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000387200378 375274245 /nfs/dbraw/zinc/27/42/45/375274245.db2.gz CCKXYAODKVUPDH-GOSISDBHSA-N 2 1 290.451 2.254 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282390945 375472877 /nfs/dbraw/zinc/47/28/77/375472877.db2.gz DOMUWRXTAAWBPO-GOEBONIOSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282390945 375472883 /nfs/dbraw/zinc/47/28/83/375472883.db2.gz DOMUWRXTAAWBPO-GOEBONIOSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282390941 375473116 /nfs/dbraw/zinc/47/31/16/375473116.db2.gz DOMUWRXTAAWBPO-GDBMZVCRSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282390941 375473123 /nfs/dbraw/zinc/47/31/23/375473123.db2.gz DOMUWRXTAAWBPO-GDBMZVCRSA-N 2 1 276.424 2.258 20 0 CEADMP Cc1cccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000282301460 375451088 /nfs/dbraw/zinc/45/10/88/375451088.db2.gz JSXCEBQFZFZUNV-UHFFFAOYSA-N 2 1 275.440 2.111 20 0 CEADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)OCC1CC1 ZINC000414276319 375815698 /nfs/dbraw/zinc/81/56/98/375815698.db2.gz VLIMPLPTGCOXOO-CABCVRRESA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2C2CCOCC2)CC[NH2+]1 ZINC000414759120 375952360 /nfs/dbraw/zinc/95/23/60/375952360.db2.gz NUAKOAKWWQJISF-IIAWOOMASA-N 2 1 266.429 2.266 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000414764116 375955184 /nfs/dbraw/zinc/95/51/84/375955184.db2.gz DRDBQXNYTNQXNZ-QAETUUGQSA-N 2 1 256.393 2.331 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCC2 ZINC000414772895 375961869 /nfs/dbraw/zinc/96/18/69/375961869.db2.gz CRWYMMCWXLTUOO-DLBZAZTESA-N 2 1 286.419 2.443 20 0 CEADMP CCC[C@@H](C)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414783715 375968177 /nfs/dbraw/zinc/96/81/77/375968177.db2.gz QLCXCPZAZJHBRW-ZIAGYGMSSA-N 2 1 254.418 2.110 20 0 CEADMP c1cc2c(c(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c1)OCO2 ZINC000414788902 375971099 /nfs/dbraw/zinc/97/10/99/375971099.db2.gz XLZQCMKBRWVYEM-UONOGXRCSA-N 2 1 288.391 2.237 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000414792887 375976197 /nfs/dbraw/zinc/97/61/97/375976197.db2.gz JGLHTZVWTFMBPQ-HNNXBMFYSA-N 2 1 272.396 2.458 20 0 CEADMP CCN(CCC[NH3+])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414688891 375918319 /nfs/dbraw/zinc/91/83/19/375918319.db2.gz KAAQDJXPSSPDKY-WBVHZDCISA-N 2 1 275.440 2.493 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000414687498 375919279 /nfs/dbraw/zinc/91/92/79/375919279.db2.gz BZMYLLZOQUHQHO-GDBMZVCRSA-N 2 1 297.487 2.233 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCc2ccccc2O)CC[NH2+]1 ZINC000414713293 375937079 /nfs/dbraw/zinc/93/70/79/375937079.db2.gz ONQXRAJKCHWZCE-KGLIPLIRSA-N 2 1 262.397 2.255 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1cc2c(c(OC)c1)OCO2 ZINC000414808448 375993652 /nfs/dbraw/zinc/99/36/52/375993652.db2.gz SXAKLBLDCIERKE-UHFFFAOYSA-N 2 1 280.368 2.031 20 0 CEADMP CCN1CCC([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414807860 375994100 /nfs/dbraw/zinc/99/41/00/375994100.db2.gz DJOCWUGYDJATFG-ZDUSSCGKSA-N 2 1 261.413 2.280 20 0 CEADMP CC[NH+]1CCC(NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414807860 375994103 /nfs/dbraw/zinc/99/41/03/375994103.db2.gz DJOCWUGYDJATFG-ZDUSSCGKSA-N 2 1 261.413 2.280 20 0 CEADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c1C ZINC000414814497 376001671 /nfs/dbraw/zinc/00/16/71/376001671.db2.gz ZDCYQSNJJAIWHA-MLGOLLRUSA-N 2 1 289.423 2.347 20 0 CEADMP Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000286945113 376110464 /nfs/dbraw/zinc/11/04/64/376110464.db2.gz BJIRNJZVHUHRBJ-KGLIPLIRSA-N 2 1 270.380 2.500 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000287185272 376167740 /nfs/dbraw/zinc/16/77/40/376167740.db2.gz VMBVDXXUQJPPNY-ZOBUZTSGSA-N 2 1 275.440 2.189 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000287185272 376167746 /nfs/dbraw/zinc/16/77/46/376167746.db2.gz VMBVDXXUQJPPNY-ZOBUZTSGSA-N 2 1 275.440 2.189 20 0 CEADMP C[NH2+]CCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262364617 190054347 /nfs/dbraw/zinc/05/43/47/190054347.db2.gz KUYNPRDEXGVRKW-AWEZNQCLSA-N 2 1 289.423 2.467 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000289294044 376390452 /nfs/dbraw/zinc/39/04/52/376390452.db2.gz RJQKYSGDGDVTEN-KEYYUXOJSA-N 2 1 274.408 2.281 20 0 CEADMP COc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1O ZINC000289811984 376512121 /nfs/dbraw/zinc/51/21/21/376512121.db2.gz PMOQIFNRDSNMCZ-NWDGAFQWSA-N 2 1 266.385 2.392 20 0 CEADMP CC[N@@H+](CCN)CCCOc1cc(C)cc(C)c1 ZINC000306032180 376536231 /nfs/dbraw/zinc/53/62/31/376536231.db2.gz RQQXDDKROLWADX-UHFFFAOYSA-N 2 1 250.386 2.353 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC000557612968 376569883 /nfs/dbraw/zinc/56/98/83/376569883.db2.gz AJJJTHAIUDJQKE-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000557612968 376569890 /nfs/dbraw/zinc/56/98/90/376569890.db2.gz AJJJTHAIUDJQKE-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000557612968 376569897 /nfs/dbraw/zinc/56/98/97/376569897.db2.gz AJJJTHAIUDJQKE-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCOCc1ccccc1 ZINC000309963744 376610904 /nfs/dbraw/zinc/61/09/04/376610904.db2.gz JSHGPDBRAKJEHH-GDBMZVCRSA-N 2 1 262.397 2.405 20 0 CEADMP CCCN(Cc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290131129 376653528 /nfs/dbraw/zinc/65/35/28/376653528.db2.gz ZNDGSPQORCWPSF-KRWDZBQOSA-N 2 1 276.424 2.354 20 0 CEADMP CCCN(Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290131129 376653539 /nfs/dbraw/zinc/65/35/39/376653539.db2.gz ZNDGSPQORCWPSF-KRWDZBQOSA-N 2 1 276.424 2.354 20 0 CEADMP CCC[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290131129 376653547 /nfs/dbraw/zinc/65/35/47/376653547.db2.gz ZNDGSPQORCWPSF-KRWDZBQOSA-N 2 1 276.424 2.354 20 0 CEADMP CCC[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290131129 376653556 /nfs/dbraw/zinc/65/35/56/376653556.db2.gz ZNDGSPQORCWPSF-KRWDZBQOSA-N 2 1 276.424 2.354 20 0 CEADMP CCC[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290131129 376653560 /nfs/dbraw/zinc/65/35/60/376653560.db2.gz ZNDGSPQORCWPSF-KRWDZBQOSA-N 2 1 276.424 2.354 20 0 CEADMP CCC[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290131129 376653570 /nfs/dbraw/zinc/65/35/70/376653570.db2.gz ZNDGSPQORCWPSF-KRWDZBQOSA-N 2 1 276.424 2.354 20 0 CEADMP Cc1ccncc1CCC[N@H+](C)CCn1cccn1 ZINC000290156542 376662045 /nfs/dbraw/zinc/66/20/45/376662045.db2.gz XCEUMQXRJNPONR-UHFFFAOYSA-N 2 1 258.369 2.151 20 0 CEADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000312599936 376722022 /nfs/dbraw/zinc/72/20/22/376722022.db2.gz WACZDOALIZOKLZ-MRXNPFEDSA-N 2 1 276.428 2.124 20 0 CEADMP CCc1nc(NC[C@H](C)C[NH+]2CCCC2)cc(C)[nH+]1 ZINC000311478875 376673350 /nfs/dbraw/zinc/67/33/50/376673350.db2.gz STUMGTHIWFXUKQ-LBPRGKRZSA-N 2 1 262.401 2.491 20 0 CEADMP COc1ccc(F)cc1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000311906135 376693100 /nfs/dbraw/zinc/69/31/00/376693100.db2.gz DILAPDAPQXAJTJ-SMDDNHRTSA-N 2 1 266.360 2.264 20 0 CEADMP COc1ccc(F)cc1C[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000311906135 376693112 /nfs/dbraw/zinc/69/31/12/376693112.db2.gz DILAPDAPQXAJTJ-SMDDNHRTSA-N 2 1 266.360 2.264 20 0 CEADMP C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)CC1CCOCC1 ZINC000312096137 376702715 /nfs/dbraw/zinc/70/27/15/376702715.db2.gz FGUVZDBCDGLHOG-JKSUJKDBSA-N 2 1 266.429 2.125 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000312915911 376732575 /nfs/dbraw/zinc/73/25/75/376732575.db2.gz LPEMABCQFDTKLP-NFOMZHRRSA-N 2 1 284.444 2.427 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000312915911 376732584 /nfs/dbraw/zinc/73/25/84/376732584.db2.gz LPEMABCQFDTKLP-NFOMZHRRSA-N 2 1 284.444 2.427 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000314138135 376764945 /nfs/dbraw/zinc/76/49/45/376764945.db2.gz FXBSMSUCNRSJCN-HRCADAONSA-N 2 1 295.471 2.084 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000314138135 376764951 /nfs/dbraw/zinc/76/49/51/376764951.db2.gz FXBSMSUCNRSJCN-HRCADAONSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000314558450 376776493 /nfs/dbraw/zinc/77/64/93/376776493.db2.gz KBTVHMISVGWLIX-FMKPAKJESA-N 2 1 289.423 2.476 20 0 CEADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000314558450 376776498 /nfs/dbraw/zinc/77/64/98/376776498.db2.gz KBTVHMISVGWLIX-FMKPAKJESA-N 2 1 289.423 2.476 20 0 CEADMP COC1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCCC1 ZINC000319965208 376819427 /nfs/dbraw/zinc/81/94/27/376819427.db2.gz YFSAHSCTSKGDMF-CYBMUJFWSA-N 2 1 252.402 2.020 20 0 CEADMP CC[N@@H+](Cc1cn[nH]c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456683 542141255 /nfs/dbraw/zinc/14/12/55/542141255.db2.gz GCRJATSYJYBETI-UHFFFAOYSA-N 2 1 272.396 2.493 20 0 CEADMP CCc1nn(C)cc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000685463127 542144746 /nfs/dbraw/zinc/14/47/46/542144746.db2.gz LRWIVWXMUSMKER-HNNXBMFYSA-N 2 1 290.455 2.146 20 0 CEADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cc[nH]n1 ZINC000290514737 376814285 /nfs/dbraw/zinc/81/42/85/376814285.db2.gz PSYGXGBFEYPNGZ-UHFFFAOYSA-N 2 1 261.373 2.081 20 0 CEADMP CCCn1ccnc1CCCN(C)Cc1cc[nH]n1 ZINC000290514737 376814289 /nfs/dbraw/zinc/81/42/89/376814289.db2.gz PSYGXGBFEYPNGZ-UHFFFAOYSA-N 2 1 261.373 2.081 20 0 CEADMP C[C@H](C[N@@H+](C)CCCN(C)CC[NH+](C)C)C(C)(C)C ZINC000685475785 542149564 /nfs/dbraw/zinc/14/95/64/542149564.db2.gz BVXDSZDZNWYSGL-OAHLLOKOSA-N 2 1 271.493 2.484 20 0 CEADMP COC1(C[NH2+]CC2=CC[N@@H+](C)CC2)CCCCC1 ZINC000319395636 376817590 /nfs/dbraw/zinc/81/75/90/376817590.db2.gz DZBKZAUDSRNGNI-UHFFFAOYSA-N 2 1 252.402 2.187 20 0 CEADMP COCc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000290579287 376840157 /nfs/dbraw/zinc/84/01/57/376840157.db2.gz ULPRGMOARCAEKZ-UHFFFAOYSA-N 2 1 277.368 2.453 20 0 CEADMP COCc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000290579287 376840170 /nfs/dbraw/zinc/84/01/70/376840170.db2.gz ULPRGMOARCAEKZ-UHFFFAOYSA-N 2 1 277.368 2.453 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422901778 376859126 /nfs/dbraw/zinc/85/91/26/376859126.db2.gz CGUUTSRLBSNPCL-YQQAZPJKSA-N 2 1 277.456 2.265 20 0 CEADMP CC[C@@H]([NH2+]CCNc1ccc2ccccc2n1)[C@@H]1CCC[NH2+]1 ZINC000422922505 376862672 /nfs/dbraw/zinc/86/26/72/376862672.db2.gz SYCBOTOPLLDWEP-WBVHZDCISA-N 2 1 298.434 2.189 20 0 CEADMP C[C@H]([NH2+]CCc1cccc(F)c1F)[C@@H]1CCC[NH2+]1 ZINC000422953656 376878191 /nfs/dbraw/zinc/87/81/91/376878191.db2.gz FZAWBBBWBXKRAR-GWCFXTLKSA-N 2 1 254.324 2.237 20 0 CEADMP C[C@@H]([NH2+]CCc1cccc(F)c1F)[C@H]1CCC[NH2+]1 ZINC000422953659 376878986 /nfs/dbraw/zinc/87/89/86/376878986.db2.gz FZAWBBBWBXKRAR-ZWNOBZJWSA-N 2 1 254.324 2.237 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422957148 376882546 /nfs/dbraw/zinc/88/25/46/376882546.db2.gz SCOAFIRTJCXQGH-WOSRLPQWSA-N 2 1 262.397 2.356 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000422959690 376884124 /nfs/dbraw/zinc/88/41/24/376884124.db2.gz TYAZVXGOORCMOU-LOWVWBTDSA-N 2 1 295.814 2.161 20 0 CEADMP C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000423078646 376971672 /nfs/dbraw/zinc/97/16/72/376971672.db2.gz OWPCSUUBCGXIQY-BPUTZDHNSA-N 2 1 268.445 2.438 20 0 CEADMP C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1c[nH+]ccc1N ZINC000423079642 376971982 /nfs/dbraw/zinc/97/19/82/376971982.db2.gz YNNJOAMHAOALGX-QMMMGPOBSA-N 2 1 295.280 2.062 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000423081874 376974888 /nfs/dbraw/zinc/97/48/88/376974888.db2.gz VWIJMJQKOBZNMV-HUUCEWRRSA-N 3 1 267.461 2.086 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1c1cccc(F)c1 ZINC000562479398 376905887 /nfs/dbraw/zinc/90/58/87/376905887.db2.gz ZROLFODIVHIEOX-JKSUJKDBSA-N 2 1 280.387 2.275 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000422995887 376912418 /nfs/dbraw/zinc/91/24/18/376912418.db2.gz ZSKFVEIRMBFICW-NWDGAFQWSA-N 2 1 250.390 2.214 20 0 CEADMP CC[C@@H](NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000423001393 376918934 /nfs/dbraw/zinc/91/89/34/376918934.db2.gz WWSZWZFXNUEEAW-BBWFWOEESA-N 2 1 281.488 2.475 20 0 CEADMP Cc1cnc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000423015466 376930005 /nfs/dbraw/zinc/93/00/05/376930005.db2.gz RAKFNWMKNJVIBI-IAGOWNOFSA-N 2 1 296.418 2.410 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000423022114 376939528 /nfs/dbraw/zinc/93/95/28/376939528.db2.gz HEDVJYZJOVJVBF-YIYPIFLZSA-N 2 1 254.418 2.168 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423085155 376978858 /nfs/dbraw/zinc/97/88/58/376978858.db2.gz JTSUGGKJZGZRIU-KBAYOESNSA-N 2 1 287.451 2.096 20 0 CEADMP c1cc2c(nc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCCC2 ZINC000423075886 376969405 /nfs/dbraw/zinc/96/94/05/376969405.db2.gz PPGYKAMUUNQEAA-MZBDJJRSSA-N 2 1 271.408 2.333 20 0 CEADMP CC1(C)CCC[N@@H+](CCN[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000423077098 376969725 /nfs/dbraw/zinc/96/97/25/376969725.db2.gz SKUFNKOXYNXQSY-GJZGRUSLSA-N 2 1 267.461 2.216 20 0 CEADMP CC1(C)CCCN(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000423077098 376969729 /nfs/dbraw/zinc/96/97/29/376969729.db2.gz SKUFNKOXYNXQSY-GJZGRUSLSA-N 2 1 267.461 2.216 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000423118446 377012732 /nfs/dbraw/zinc/01/27/32/377012732.db2.gz APCPRNTVVOYGEG-QBYUYEEZSA-N 2 1 275.440 2.365 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000423118446 377012741 /nfs/dbraw/zinc/01/27/41/377012741.db2.gz APCPRNTVVOYGEG-QBYUYEEZSA-N 2 1 275.440 2.365 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000423118627 377013850 /nfs/dbraw/zinc/01/38/50/377013850.db2.gz BOFUGXCANVARBL-JMSVASOKSA-N 2 1 282.815 2.004 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000423119175 377014622 /nfs/dbraw/zinc/01/46/22/377014622.db2.gz BONBDKMGMAKUSA-QWHCGFSZSA-N 2 1 278.444 2.228 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)CN(C)C(C)C ZINC000423119175 377014627 /nfs/dbraw/zinc/01/46/27/377014627.db2.gz BONBDKMGMAKUSA-QWHCGFSZSA-N 2 1 278.444 2.228 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000423121425 377018493 /nfs/dbraw/zinc/01/84/93/377018493.db2.gz IRWZNGJMAMDEFR-KGLIPLIRSA-N 2 1 258.369 2.313 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423126627 377025673 /nfs/dbraw/zinc/02/56/73/377025673.db2.gz SABZRYOADXZMHG-VBNZEHGJSA-N 2 1 261.413 2.450 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CCCCC[C@H]1[NH3+] ZINC000423143303 377040873 /nfs/dbraw/zinc/04/08/73/377040873.db2.gz WXHCHGAGZDKOAC-ZNMIVQPWSA-N 2 1 255.450 2.356 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CSc2ccccc21 ZINC000423144932 377043845 /nfs/dbraw/zinc/04/38/45/377043845.db2.gz IJMBVGRIRHOOCE-MBNYWOFBSA-N 2 1 262.422 2.464 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423089781 376983127 /nfs/dbraw/zinc/98/31/27/376983127.db2.gz VXFGVXFCVJXHQS-KFWWJZLASA-N 2 1 267.461 2.356 20 0 CEADMP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423089781 376983128 /nfs/dbraw/zinc/98/31/28/376983128.db2.gz VXFGVXFCVJXHQS-KFWWJZLASA-N 2 1 267.461 2.356 20 0 CEADMP COC1CCC(C)(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423091039 376984873 /nfs/dbraw/zinc/98/48/73/376984873.db2.gz ZANOWCBRNUEXTN-FEWQNLEASA-N 2 1 254.418 2.169 20 0 CEADMP CC1(C)C(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1(C)C ZINC000423092494 376985299 /nfs/dbraw/zinc/98/52/99/376985299.db2.gz CAVOYTGJFCJVGJ-BFHYXJOUSA-N 2 1 280.456 2.415 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000423109396 377003308 /nfs/dbraw/zinc/00/33/08/377003308.db2.gz NRJANLRAIHFJMZ-SYEHKZFSSA-N 2 1 254.324 2.188 20 0 CEADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccnc1 ZINC000423192749 377108275 /nfs/dbraw/zinc/10/82/75/377108275.db2.gz WCILRJHBHGXIKG-CQSZACIVSA-N 2 1 270.380 2.307 20 0 CEADMP C[C@H]([NH2+]CCOCC1CCCC1)c1c[nH+]ccc1N ZINC000423157070 377058792 /nfs/dbraw/zinc/05/87/92/377058792.db2.gz ACKIRNHWNJKQOT-LBPRGKRZSA-N 2 1 263.385 2.352 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423165235 377069276 /nfs/dbraw/zinc/06/92/76/377069276.db2.gz AWYOLEHHLNMTIJ-XYPHTWIQSA-N 3 1 273.424 2.453 20 0 CEADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](N)c3ccccc32)C1 ZINC000423165235 377069281 /nfs/dbraw/zinc/06/92/81/377069281.db2.gz AWYOLEHHLNMTIJ-XYPHTWIQSA-N 2 1 273.424 2.453 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](N)c3ccccc32)C1 ZINC000423165235 377069286 /nfs/dbraw/zinc/06/92/86/377069286.db2.gz AWYOLEHHLNMTIJ-XYPHTWIQSA-N 2 1 273.424 2.453 20 0 CEADMP COc1ccc(F)cc1C[NH2+]CCn1cc[nH+]c1C ZINC000291139398 377087791 /nfs/dbraw/zinc/08/77/91/377087791.db2.gz FUZGXUKNCYPGKN-UHFFFAOYSA-N 2 1 263.316 2.129 20 0 CEADMP [NH3+]CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423180066 377092948 /nfs/dbraw/zinc/09/29/48/377092948.db2.gz DXHUJALJXHWYOZ-BJWYYQGGSA-N 2 1 273.424 2.120 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423189312 377101637 /nfs/dbraw/zinc/10/16/37/377101637.db2.gz PCCCRGMMYAGKRN-DLBZAZTESA-N 2 1 291.439 2.356 20 0 CEADMP Cc1ncc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)n1 ZINC000423213965 377131291 /nfs/dbraw/zinc/13/12/91/377131291.db2.gz KUYBOVQDPBTQRJ-COPLHBTASA-N 2 1 262.401 2.132 20 0 CEADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1OC ZINC000423216777 377133696 /nfs/dbraw/zinc/13/36/96/377133696.db2.gz QXDLGSNSOWGSIC-BZPMIXESSA-N 2 1 278.396 2.147 20 0 CEADMP CC[NH2+]CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423237641 377157533 /nfs/dbraw/zinc/15/75/33/377157533.db2.gz QEDZMLNUTMYMPJ-UHFFFAOYSA-N 2 1 254.418 2.456 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C12CCCCC2 ZINC000423236944 377158212 /nfs/dbraw/zinc/15/82/12/377158212.db2.gz PIQDPXUNJQSDCQ-RRFJBIMHSA-N 2 1 266.429 2.456 20 0 CEADMP CC[NH2+]CC[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000423249222 377168316 /nfs/dbraw/zinc/16/83/16/377168316.db2.gz RYYWRNGNDINGRH-QWHCGFSZSA-N 2 1 280.412 2.395 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423259197 377179115 /nfs/dbraw/zinc/17/91/15/377179115.db2.gz DFGOXIPUCSCLOF-SWLSCSKDSA-N 2 1 250.386 2.203 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000423262914 377181631 /nfs/dbraw/zinc/18/16/31/377181631.db2.gz NRVRRCFIWRMCEW-ZYHUDNBSSA-N 2 1 250.342 2.049 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423281400 377209331 /nfs/dbraw/zinc/20/93/31/377209331.db2.gz BGUFRZKGNYXFAT-JTQLQIEISA-N 2 1 275.396 2.304 20 0 CEADMP COCCOc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423286329 377214876 /nfs/dbraw/zinc/21/48/76/377214876.db2.gz GOQSCRPTRWUQQC-LBPRGKRZSA-N 2 1 266.385 2.100 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC000423288449 377217827 /nfs/dbraw/zinc/21/78/27/377217827.db2.gz SCDGTLVLSGDHFH-CYBMUJFWSA-N 3 1 279.428 2.015 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000423293605 377222383 /nfs/dbraw/zinc/22/23/83/377222383.db2.gz AHEBMIFWJPSHAR-GXTWGEPZSA-N 2 1 265.401 2.128 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1COc2ccc(OC)cc2C1 ZINC000423296917 377225564 /nfs/dbraw/zinc/22/55/64/377225564.db2.gz HZJMEWJJYBTKLX-UONOGXRCSA-N 2 1 278.396 2.106 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000423301148 377229236 /nfs/dbraw/zinc/22/92/36/377229236.db2.gz SOPOKEZURHTUBP-MGPQQGTHSA-N 2 1 254.418 2.441 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423337380 377268162 /nfs/dbraw/zinc/26/81/62/377268162.db2.gz VKWZMUIQCGDFQS-AWEZNQCLSA-N 3 1 291.439 2.159 20 0 CEADMP COc1cc(C)nc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000563484122 377233505 /nfs/dbraw/zinc/23/35/05/377233505.db2.gz YTJIKBYNJKSVTE-YOEHRIQHSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)nc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000563484122 377233510 /nfs/dbraw/zinc/23/35/10/377233510.db2.gz YTJIKBYNJKSVTE-YOEHRIQHSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000563484122 377233518 /nfs/dbraw/zinc/23/35/18/377233518.db2.gz YTJIKBYNJKSVTE-YOEHRIQHSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)nc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000563484122 377233522 /nfs/dbraw/zinc/23/35/22/377233522.db2.gz YTJIKBYNJKSVTE-YOEHRIQHSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)nc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000563484122 377233530 /nfs/dbraw/zinc/23/35/30/377233530.db2.gz YTJIKBYNJKSVTE-YOEHRIQHSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000563484122 377233538 /nfs/dbraw/zinc/23/35/38/377233538.db2.gz YTJIKBYNJKSVTE-YOEHRIQHSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000563484122 377233542 /nfs/dbraw/zinc/23/35/42/377233542.db2.gz YTJIKBYNJKSVTE-YOEHRIQHSA-N 2 1 289.423 2.315 20 0 CEADMP CCC[NH2+]CC[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000423307714 377236536 /nfs/dbraw/zinc/23/65/36/377236536.db2.gz HRMVJJGUXFGNJM-UONOGXRCSA-N 2 1 256.434 2.415 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(C(=O)OC)cc1 ZINC000423311299 377240881 /nfs/dbraw/zinc/24/08/81/377240881.db2.gz BSZFUUFCVJXSOW-LSDHHAIUSA-N 2 1 276.380 2.251 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423318180 377247250 /nfs/dbraw/zinc/24/72/50/377247250.db2.gz CVBGAIOOWVOPRT-SNPRPXQTSA-N 2 1 262.397 2.307 20 0 CEADMP Cc1[nH+]ccn1CCCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423324257 377255042 /nfs/dbraw/zinc/25/50/42/377255042.db2.gz ISPKAGKFYYHHJO-GFCCVEGCSA-N 2 1 286.379 2.031 20 0 CEADMP Cn1cc(-c2ccc(C[NH2+]CC3([NH3+])CCC3)s2)cn1 ZINC000563607181 377260448 /nfs/dbraw/zinc/26/04/48/377260448.db2.gz MOWBHWCGLGEPHP-UHFFFAOYSA-N 2 1 276.409 2.120 20 0 CEADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423280701 377207185 /nfs/dbraw/zinc/20/71/85/377207185.db2.gz UJNNPYIPGJPQLG-CJNGLKHVSA-N 2 1 280.412 2.346 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423280070 377207410 /nfs/dbraw/zinc/20/74/10/377207410.db2.gz STKVXGOSNGDKCW-YOEHRIQHSA-N 3 1 293.455 2.261 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000292772410 377272919 /nfs/dbraw/zinc/27/29/19/377272919.db2.gz JTMQQHPSFFAFFH-QGZVFWFLSA-N 2 1 294.414 2.192 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4ccccc4[nH]c3=O)C2)C1 ZINC000292803730 377290128 /nfs/dbraw/zinc/29/01/28/377290128.db2.gz NTNJQHGFMFQJLT-SFHVURJKSA-N 2 1 297.402 2.468 20 0 CEADMP CC(C)[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000292950474 377365670 /nfs/dbraw/zinc/36/56/70/377365670.db2.gz OCTHAAZTSHYAMB-KSZLIROESA-N 2 1 288.435 2.067 20 0 CEADMP CC(C)[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000292950474 377365678 /nfs/dbraw/zinc/36/56/78/377365678.db2.gz OCTHAAZTSHYAMB-KSZLIROESA-N 2 1 288.435 2.067 20 0 CEADMP CC(C)[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000292950474 377365687 /nfs/dbraw/zinc/36/56/87/377365687.db2.gz OCTHAAZTSHYAMB-KSZLIROESA-N 2 1 288.435 2.067 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000292908225 377346071 /nfs/dbraw/zinc/34/60/71/377346071.db2.gz WONOOOSGLYGTEF-NVXWUHKLSA-N 2 1 294.414 2.003 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000292908225 377346078 /nfs/dbraw/zinc/34/60/78/377346078.db2.gz WONOOOSGLYGTEF-NVXWUHKLSA-N 2 1 294.414 2.003 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000292908225 377346084 /nfs/dbraw/zinc/34/60/84/377346084.db2.gz WONOOOSGLYGTEF-NVXWUHKLSA-N 2 1 294.414 2.003 20 0 CEADMP COCC[NH2+]C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000564661893 377427825 /nfs/dbraw/zinc/42/78/25/377427825.db2.gz UMJUFOSZFIRDRS-UHFFFAOYSA-N 2 1 299.418 2.435 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000685583836 542163435 /nfs/dbraw/zinc/16/34/35/542163435.db2.gz CTTKPNRYVXYQPP-INIZCTEOSA-N 2 1 276.424 2.309 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000685583836 542163440 /nfs/dbraw/zinc/16/34/40/542163440.db2.gz CTTKPNRYVXYQPP-INIZCTEOSA-N 2 1 276.424 2.309 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)C(C)(C)c1ccccc1)C1CC1 ZINC000685583836 542163444 /nfs/dbraw/zinc/16/34/44/542163444.db2.gz CTTKPNRYVXYQPP-INIZCTEOSA-N 2 1 276.424 2.309 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)C(C)(C)c1ccccc1)C1CC1 ZINC000685583836 542163449 /nfs/dbraw/zinc/16/34/49/542163449.db2.gz CTTKPNRYVXYQPP-INIZCTEOSA-N 2 1 276.424 2.309 20 0 CEADMP Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ncn1 ZINC000428374625 377490168 /nfs/dbraw/zinc/49/01/68/377490168.db2.gz BETYCGUZYBZYJP-WMLDXEAASA-N 2 1 286.423 2.234 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000685657943 542176679 /nfs/dbraw/zinc/17/66/79/542176679.db2.gz VEBXGZHAFQYZSA-BZUAXINKSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000685657943 542176683 /nfs/dbraw/zinc/17/66/83/542176683.db2.gz VEBXGZHAFQYZSA-BZUAXINKSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000685657943 542176689 /nfs/dbraw/zinc/17/66/89/542176689.db2.gz VEBXGZHAFQYZSA-BZUAXINKSA-N 2 1 267.461 2.323 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000430958270 377575283 /nfs/dbraw/zinc/57/52/83/377575283.db2.gz XDFAFGCWDFMMLN-QGZVFWFLSA-N 2 1 276.424 2.177 20 0 CEADMP CC(C)[N@@H+](CCCc1cncn1C)CC(=O)OC(C)(C)C ZINC000565154748 377575926 /nfs/dbraw/zinc/57/59/26/377575926.db2.gz CJSKSPUKWUISAH-UHFFFAOYSA-N 2 1 295.427 2.405 20 0 CEADMP Cc1cncc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000565155584 377576186 /nfs/dbraw/zinc/57/61/86/377576186.db2.gz FMCAYPQTCYBORI-AWEZNQCLSA-N 2 1 256.353 2.113 20 0 CEADMP Cc1cncc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000565155732 377576259 /nfs/dbraw/zinc/57/62/59/377576259.db2.gz FMCAYPQTCYBORI-CQSZACIVSA-N 2 1 256.353 2.113 20 0 CEADMP CCOc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1F ZINC000084590552 249301441 /nfs/dbraw/zinc/30/14/41/249301441.db2.gz XWMFCBIUYZCKAJ-UHFFFAOYSA-N 2 1 252.333 2.066 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCCCCC2)CCCO1 ZINC000313377044 249394296 /nfs/dbraw/zinc/39/42/96/249394296.db2.gz MKJDCNNGLBNRIN-HNNXBMFYSA-N 2 1 254.418 2.397 20 0 CEADMP Cc1[nH+]cc(CNCC2([NH+](C)C)CCCCC2)n1C ZINC000565313309 377639501 /nfs/dbraw/zinc/63/95/01/377639501.db2.gz FJBRAAQTPQKVHX-UHFFFAOYSA-N 2 1 264.417 2.083 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000431555272 377651243 /nfs/dbraw/zinc/65/12/43/377651243.db2.gz FBWMCDWBQLQERH-CVEARBPZSA-N 2 1 297.487 2.345 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(CC(C)C)CC1 ZINC000565665320 377685142 /nfs/dbraw/zinc/68/51/42/377685142.db2.gz JYWYRDWTLLCAQL-OAHLLOKOSA-N 2 1 270.461 2.447 20 0 CEADMP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000265853669 190212821 /nfs/dbraw/zinc/21/28/21/190212821.db2.gz YYKJJCCHFZIFQV-NVXWUHKLSA-N 2 1 274.408 2.138 20 0 CEADMP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000265853669 190212822 /nfs/dbraw/zinc/21/28/22/190212822.db2.gz YYKJJCCHFZIFQV-NVXWUHKLSA-N 2 1 274.408 2.138 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C[NH+](C)C ZINC000293716389 377719919 /nfs/dbraw/zinc/71/99/19/377719919.db2.gz PFOSLHNJQINIBK-NQCMUKECSA-N 2 1 282.453 2.272 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000566036746 377712132 /nfs/dbraw/zinc/71/21/32/377712132.db2.gz VQUBVGQZVHSDLO-UONOGXRCSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC(OC(C)(C)C)C2)CCCO1 ZINC000432413427 377759209 /nfs/dbraw/zinc/75/92/09/377759209.db2.gz MKKHCLKUHGAHDT-FHERZECASA-N 2 1 298.471 2.423 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC(OC(C)(C)C)C2)CCCO1 ZINC000432413427 377759214 /nfs/dbraw/zinc/75/92/14/377759214.db2.gz MKKHCLKUHGAHDT-FHERZECASA-N 2 1 298.471 2.423 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C)c2nccn2c1 ZINC000293938847 377834869 /nfs/dbraw/zinc/83/48/69/377834869.db2.gz QQMOCSIMCYEXCX-AWEZNQCLSA-N 2 1 286.379 2.456 20 0 CEADMP CCN1CCCC[C@H]1C(=O)Nc1cc(C)c2nccn2c1 ZINC000293938847 377834878 /nfs/dbraw/zinc/83/48/78/377834878.db2.gz QQMOCSIMCYEXCX-AWEZNQCLSA-N 2 1 286.379 2.456 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000567058997 377797298 /nfs/dbraw/zinc/79/72/98/377797298.db2.gz KYJQEJCIEXLREQ-IRXDYDNUSA-N 2 1 290.451 2.405 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000567058997 377797306 /nfs/dbraw/zinc/79/73/06/377797306.db2.gz KYJQEJCIEXLREQ-IRXDYDNUSA-N 2 1 290.451 2.405 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000567058997 377797312 /nfs/dbraw/zinc/79/73/12/377797312.db2.gz KYJQEJCIEXLREQ-IRXDYDNUSA-N 2 1 290.451 2.405 20 0 CEADMP Cc1cc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000294017374 377872166 /nfs/dbraw/zinc/87/21/66/377872166.db2.gz ZBEMFCMMGOKUGE-STQMWFEESA-N 2 1 286.379 2.312 20 0 CEADMP Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000294017374 377872170 /nfs/dbraw/zinc/87/21/70/377872170.db2.gz ZBEMFCMMGOKUGE-STQMWFEESA-N 2 1 286.379 2.312 20 0 CEADMP C[N@@H+](CC[C@@H]1CCOC1)CC[C@H]1CCCC[NH+]1C ZINC000438123096 377890462 /nfs/dbraw/zinc/89/04/62/377890462.db2.gz CHCNFCBCVWGZHG-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@@H]1CCOC1)CC[C@H]1CCCC[N@@H+]1C ZINC000438123096 377890470 /nfs/dbraw/zinc/89/04/70/377890470.db2.gz CHCNFCBCVWGZHG-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@@H]1CCOC1)CC[C@H]1CCCC[N@H+]1C ZINC000438123096 377890478 /nfs/dbraw/zinc/89/04/78/377890478.db2.gz CHCNFCBCVWGZHG-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H]2C2CC2)CC1(C)C ZINC000442873806 378011067 /nfs/dbraw/zinc/01/10/67/378011067.db2.gz LLPADRAQLUARDW-CVEARBPZSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]([NH3+])CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000442650137 377975858 /nfs/dbraw/zinc/97/58/58/377975858.db2.gz OKFOXCXNMDUBJC-OAHLLOKOSA-N 2 1 275.440 2.178 20 0 CEADMP C[C@@H]([NH3+])C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000442650137 377975867 /nfs/dbraw/zinc/97/58/67/377975867.db2.gz OKFOXCXNMDUBJC-OAHLLOKOSA-N 3 1 275.440 2.178 20 0 CEADMP C[C@@H]([NH3+])C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000442650137 377975874 /nfs/dbraw/zinc/97/58/74/377975874.db2.gz OKFOXCXNMDUBJC-OAHLLOKOSA-N 3 1 275.440 2.178 20 0 CEADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442756090 377990778 /nfs/dbraw/zinc/99/07/78/377990778.db2.gz DNISPYRAJWUPEK-UTUOFQBUSA-N 2 1 295.814 2.336 20 0 CEADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442756090 377990781 /nfs/dbraw/zinc/99/07/81/377990781.db2.gz DNISPYRAJWUPEK-UTUOFQBUSA-N 2 1 295.814 2.336 20 0 CEADMP COc1cccc(CCC[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000442763231 377992739 /nfs/dbraw/zinc/99/27/39/377992739.db2.gz AXYSICPAMVDGOC-DZGCQCFKSA-N 2 1 262.397 2.297 20 0 CEADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058114 378031175 /nfs/dbraw/zinc/03/11/75/378031175.db2.gz JIEBPDMGFGZDTK-HUUCEWRRSA-N 2 1 299.422 2.389 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000443057841 378031641 /nfs/dbraw/zinc/03/16/41/378031641.db2.gz IHZJRBMOHPXOEV-ZDUSSCGKSA-N 2 1 293.386 2.215 20 0 CEADMP CN(CC[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443063277 378031661 /nfs/dbraw/zinc/03/16/61/378031661.db2.gz WGXURGPQXYALDD-OAHLLOKOSA-N 2 1 261.413 2.184 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1)C(C)C ZINC000443070924 378035431 /nfs/dbraw/zinc/03/54/31/378035431.db2.gz LWUWYLGTLOICTK-HUUCEWRRSA-N 2 1 283.460 2.081 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)Cn1cccn1 ZINC000449383497 378207456 /nfs/dbraw/zinc/20/74/56/378207456.db2.gz HTJFWENLVVCBIF-CVEARBPZSA-N 2 1 278.444 2.372 20 0 CEADMP C[C@@H]1C[C@H](NCC[NH+]2CCCC2(C)C)C[N@H+]1C1CC1 ZINC000449783581 378231984 /nfs/dbraw/zinc/23/19/84/378231984.db2.gz QCPITFCVRFVDSX-KGLIPLIRSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](NCC[N@@H+]2CCCC2(C)C)C[NH+]1C1CC1 ZINC000449783581 378231989 /nfs/dbraw/zinc/23/19/89/378231989.db2.gz QCPITFCVRFVDSX-KGLIPLIRSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](NCC[N@H+]2CCCC2(C)C)C[NH+]1C1CC1 ZINC000449783581 378231993 /nfs/dbraw/zinc/23/19/93/378231993.db2.gz QCPITFCVRFVDSX-KGLIPLIRSA-N 2 1 265.445 2.076 20 0 CEADMP CCC(=O)CCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000450453622 378425323 /nfs/dbraw/zinc/42/53/23/378425323.db2.gz PRAZJZACZYVLHP-OAHLLOKOSA-N 2 1 266.429 2.409 20 0 CEADMP CCC(=O)CCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000450453622 378425338 /nfs/dbraw/zinc/42/53/38/378425338.db2.gz PRAZJZACZYVLHP-OAHLLOKOSA-N 2 1 266.429 2.409 20 0 CEADMP CCC(=O)CCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000450453622 378425341 /nfs/dbraw/zinc/42/53/41/378425341.db2.gz PRAZJZACZYVLHP-OAHLLOKOSA-N 2 1 266.429 2.409 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN(C)CC[NH+](C)C1CC1 ZINC000450750108 378560427 /nfs/dbraw/zinc/56/04/27/378560427.db2.gz AWBQJWZJMLPMTK-MRXNPFEDSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN(C)CC[N@H+](C)C1CC1 ZINC000450750108 378560435 /nfs/dbraw/zinc/56/04/35/378560435.db2.gz AWBQJWZJMLPMTK-MRXNPFEDSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN(C)CC[N@@H+](C)C1CC1 ZINC000450750108 378560443 /nfs/dbraw/zinc/56/04/43/378560443.db2.gz AWBQJWZJMLPMTK-MRXNPFEDSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)[C@H]1CN(CC[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000450838701 378607271 /nfs/dbraw/zinc/60/72/71/378607271.db2.gz AXVWQXGUVAPVBN-GOSISDBHSA-N 2 1 289.467 2.390 20 0 CEADMP CC(C)[C@H]1CN(CC[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000450838701 378607276 /nfs/dbraw/zinc/60/72/76/378607276.db2.gz AXVWQXGUVAPVBN-GOSISDBHSA-N 2 1 289.467 2.390 20 0 CEADMP Cc1cc(NC(=O)NCC2=CC[N@H+](C)CC2)cn2cc[nH+]c12 ZINC000296791600 378651375 /nfs/dbraw/zinc/65/13/75/378651375.db2.gz GWISHMLMIFYCSC-UHFFFAOYSA-N 2 1 299.378 2.026 20 0 CEADMP Cc1cc(NC(=O)NCC2=CC[N@@H+](C)CC2)cn2cc[nH+]c12 ZINC000296791600 378651379 /nfs/dbraw/zinc/65/13/79/378651379.db2.gz GWISHMLMIFYCSC-UHFFFAOYSA-N 2 1 299.378 2.026 20 0 CEADMP CC(C)[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]1C(C)C ZINC000453035429 378780468 /nfs/dbraw/zinc/78/04/68/378780468.db2.gz KBSNDPSXQKLOIK-PMPSAXMXSA-N 2 1 268.445 2.054 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]1C(C)C ZINC000453035429 378780473 /nfs/dbraw/zinc/78/04/73/378780473.db2.gz KBSNDPSXQKLOIK-PMPSAXMXSA-N 2 1 268.445 2.054 20 0 CEADMP CC(C)[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@H]1C(C)C ZINC000453035429 378780477 /nfs/dbraw/zinc/78/04/77/378780477.db2.gz KBSNDPSXQKLOIK-PMPSAXMXSA-N 2 1 268.445 2.054 20 0 CEADMP CC(C)[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@H]1C(C)C ZINC000453035429 378780486 /nfs/dbraw/zinc/78/04/86/378780486.db2.gz KBSNDPSXQKLOIK-PMPSAXMXSA-N 2 1 268.445 2.054 20 0 CEADMP OCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453059974 378790022 /nfs/dbraw/zinc/79/00/22/378790022.db2.gz QYLITATXYTUXAW-RCCFBDPRSA-N 2 1 288.435 2.402 20 0 CEADMP CCC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCC1 ZINC000453104628 378803826 /nfs/dbraw/zinc/80/38/26/378803826.db2.gz ZYDBTLVDJOVFIT-MRXNPFEDSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@@H](Cc1cnccn1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000453112508 378808414 /nfs/dbraw/zinc/80/84/14/378808414.db2.gz DCHBEJUQDZKRMJ-GOEBONIOSA-N 2 1 288.439 2.262 20 0 CEADMP C[C@@H](Cc1cnccn1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000453112508 378808418 /nfs/dbraw/zinc/80/84/18/378808418.db2.gz DCHBEJUQDZKRMJ-GOEBONIOSA-N 2 1 288.439 2.262 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453143761 378818522 /nfs/dbraw/zinc/81/85/22/378818522.db2.gz MOCAMZDKRPTXQW-DZOHQFGASA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cn[nH]c1 ZINC000453196536 378826063 /nfs/dbraw/zinc/82/60/63/378826063.db2.gz LZWDBCGTKXUBBI-LBPRGKRZSA-N 2 1 250.390 2.182 20 0 CEADMP CCOC(=O)C[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000346850836 218036483 /nfs/dbraw/zinc/03/64/83/218036483.db2.gz IKCOABMPQCFPLE-UHFFFAOYSA-N 2 1 290.407 2.051 20 0 CEADMP CCOC(=O)C[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000346850836 218036487 /nfs/dbraw/zinc/03/64/87/218036487.db2.gz IKCOABMPQCFPLE-UHFFFAOYSA-N 2 1 290.407 2.051 20 0 CEADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1(C(=O)OC)CCC1 ZINC000453343777 378868269 /nfs/dbraw/zinc/86/82/69/378868269.db2.gz IVYBTMHUNAPXJP-DKUMPPAJSA-N 2 1 294.439 2.323 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)nn1C ZINC000453403747 378888259 /nfs/dbraw/zinc/88/82/59/378888259.db2.gz ORRRGPHHAOIVEO-ZDUSSCGKSA-N 2 1 264.417 2.254 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453381475 378879517 /nfs/dbraw/zinc/87/95/17/378879517.db2.gz LFKUJRBLLBRBSI-UONOGXRCSA-N 2 1 268.445 2.248 20 0 CEADMP CC[N@@H+](CCc1nccs1)C[C@@H]1CCC[NH2+]C1 ZINC000346994615 218083468 /nfs/dbraw/zinc/08/34/68/218083468.db2.gz UPSXDWOBUSZLCW-GFCCVEGCSA-N 2 1 253.415 2.007 20 0 CEADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](CCO)c1ccccc1 ZINC000346996806 218084654 /nfs/dbraw/zinc/08/46/54/218084654.db2.gz CYEYOWCEWNKVQG-ZBFHGGJFSA-N 2 1 262.397 2.042 20 0 CEADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1F)C1CC[NH2+]CC1 ZINC000347002787 218086443 /nfs/dbraw/zinc/08/64/43/218086443.db2.gz JXMRARKRBDHUNA-UHFFFAOYSA-N 2 1 288.370 2.400 20 0 CEADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C1CC[NH2+]CC1 ZINC000347002787 218086445 /nfs/dbraw/zinc/08/64/45/218086445.db2.gz JXMRARKRBDHUNA-UHFFFAOYSA-N 2 1 288.370 2.400 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000347039657 218100183 /nfs/dbraw/zinc/10/01/83/218100183.db2.gz JVIVZJLCTALGQF-OLZOCXBDSA-N 2 1 290.436 2.493 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OCC ZINC000347104653 218123073 /nfs/dbraw/zinc/12/30/73/218123073.db2.gz LEMJNKGJQCBXQC-AWEZNQCLSA-N 2 1 278.396 2.265 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1OCC ZINC000347104653 218123075 /nfs/dbraw/zinc/12/30/75/218123075.db2.gz LEMJNKGJQCBXQC-AWEZNQCLSA-N 2 1 278.396 2.265 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])ccc1-n1cncn1 ZINC000347108397 218124489 /nfs/dbraw/zinc/12/44/89/218124489.db2.gz MRYDXANWLVHQPK-PBHICJAKSA-N 2 1 299.422 2.277 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])ccc1-n1cncn1 ZINC000347108397 218124492 /nfs/dbraw/zinc/12/44/92/218124492.db2.gz MRYDXANWLVHQPK-PBHICJAKSA-N 2 1 299.422 2.277 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000347223049 218158897 /nfs/dbraw/zinc/15/88/97/218158897.db2.gz UVWQKNBHIQTEHJ-ZDUSSCGKSA-N 2 1 254.418 2.123 20 0 CEADMP COC1CC([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000347412013 218225773 /nfs/dbraw/zinc/22/57/73/218225773.db2.gz FZCJZXUGDMSBHW-WLYUNCDWSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccnc1 ZINC000278759884 194142017 /nfs/dbraw/zinc/14/20/17/194142017.db2.gz XJJKZATYYGIZKQ-LSDHHAIUSA-N 2 1 277.412 2.233 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccnc1 ZINC000278759884 194142018 /nfs/dbraw/zinc/14/20/18/194142018.db2.gz XJJKZATYYGIZKQ-LSDHHAIUSA-N 2 1 277.412 2.233 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(F)c1 ZINC000299932460 379145540 /nfs/dbraw/zinc/14/55/40/379145540.db2.gz YUIKUGKJXKZBDA-GHMZBOCLSA-N 2 1 252.333 2.003 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(F)c1 ZINC000299932460 379145547 /nfs/dbraw/zinc/14/55/47/379145547.db2.gz YUIKUGKJXKZBDA-GHMZBOCLSA-N 2 1 252.333 2.003 20 0 CEADMP COCCOc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000514758725 379145898 /nfs/dbraw/zinc/14/58/98/379145898.db2.gz QYSCMJBEPCQZFU-UHFFFAOYSA-N 2 1 280.412 2.095 20 0 CEADMP COCCOc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000514758725 379145908 /nfs/dbraw/zinc/14/59/08/379145908.db2.gz QYSCMJBEPCQZFU-UHFFFAOYSA-N 2 1 280.412 2.095 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCNC(=O)CC2CCCCC2)CC[N@H+]1C ZINC000180836948 542266465 /nfs/dbraw/zinc/26/64/65/542266465.db2.gz VXWSHOISDDNSPN-HOCLYGCPSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000180626979 542265664 /nfs/dbraw/zinc/26/56/64/542265664.db2.gz PLPYMHGGUASONJ-LLVKDONJSA-N 2 1 261.373 2.354 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2(C)COC2)CC1 ZINC000347562004 218273878 /nfs/dbraw/zinc/27/38/78/218273878.db2.gz HFBACOLCBIUSAC-UHFFFAOYSA-N 2 1 298.471 2.093 20 0 CEADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000278916390 194210689 /nfs/dbraw/zinc/21/06/89/194210689.db2.gz HIKHHPBSQXOUQF-KGLIPLIRSA-N 2 1 270.380 2.500 20 0 CEADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cn[nH]c1 ZINC000302279526 379350789 /nfs/dbraw/zinc/35/07/89/379350789.db2.gz FACMUCCCVFTKHO-SNVBAGLBSA-N 2 1 250.390 2.370 20 0 CEADMP CCc1cccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c1 ZINC000517381810 379358836 /nfs/dbraw/zinc/35/88/36/379358836.db2.gz IYGFBINUMGASDG-UHFFFAOYSA-N 2 1 276.424 2.185 20 0 CEADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000518645309 379398702 /nfs/dbraw/zinc/39/87/02/379398702.db2.gz JFWYGVDVRSMORL-NSHDSACASA-N 2 1 276.771 2.458 20 0 CEADMP Cn1ccnc1[C@H]1CCN(Cc2ccc(Cl)cn2)C1 ZINC000518645309 379398714 /nfs/dbraw/zinc/39/87/14/379398714.db2.gz JFWYGVDVRSMORL-NSHDSACASA-N 2 1 276.771 2.458 20 0 CEADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000303047185 379484177 /nfs/dbraw/zinc/48/41/77/379484177.db2.gz WPVMTOILVHGIQN-HOTGVXAUSA-N 2 1 276.424 2.411 20 0 CEADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000303228039 379489491 /nfs/dbraw/zinc/48/94/91/379489491.db2.gz RBELLAFNMSJDGY-SJLPKXTDSA-N 2 1 288.435 2.356 20 0 CEADMP CC(C)c1ncc2c(n1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000527616611 379778218 /nfs/dbraw/zinc/77/82/18/379778218.db2.gz IHYVVBGLOAGPLO-CQSZACIVSA-N 2 1 288.439 2.348 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccnc(C)c1 ZINC000527653232 379785630 /nfs/dbraw/zinc/78/56/30/379785630.db2.gz MTAXPYAXFNOLMF-GFCCVEGCSA-N 2 1 258.369 2.321 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3cn(C)nc3c2)[C@@H](C)C1 ZINC000527963782 379860378 /nfs/dbraw/zinc/86/03/78/379860378.db2.gz PBRPRGPARRKMEL-XJKSGUPXSA-N 2 1 286.423 2.393 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@]2(C)OC(C)C)[C@H](C)C1 ZINC000528002019 379873361 /nfs/dbraw/zinc/87/33/61/379873361.db2.gz WEMLMTLOMPQFBI-TUVASFSCSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@@H]1C[C@H]1C[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000488515436 380107968 /nfs/dbraw/zinc/10/79/68/380107968.db2.gz KYBBWWNSSJDJDC-BPQIPLTHSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[C@H]1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000488515436 380107972 /nfs/dbraw/zinc/10/79/72/380107972.db2.gz KYBBWWNSSJDJDC-BPQIPLTHSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[C@H]1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000488515436 380107977 /nfs/dbraw/zinc/10/79/77/380107977.db2.gz KYBBWWNSSJDJDC-BPQIPLTHSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[C@H]1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000488515436 380107981 /nfs/dbraw/zinc/10/79/81/380107981.db2.gz KYBBWWNSSJDJDC-BPQIPLTHSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[C@H]1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000488515436 380107985 /nfs/dbraw/zinc/10/79/85/380107985.db2.gz KYBBWWNSSJDJDC-BPQIPLTHSA-N 2 1 288.435 2.211 20 0 CEADMP CC[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000268209382 190386031 /nfs/dbraw/zinc/38/60/31/190386031.db2.gz ZXMCKRMVJAUQFE-ZDUSSCGKSA-N 2 1 295.452 2.024 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000268209382 190386032 /nfs/dbraw/zinc/38/60/32/190386032.db2.gz ZXMCKRMVJAUQFE-ZDUSSCGKSA-N 2 1 295.452 2.024 20 0 CEADMP CC(C)[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@H+]1C ZINC000489342020 380178436 /nfs/dbraw/zinc/17/84/36/380178436.db2.gz VESGPDVWOOLXAP-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1nc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000333817710 380156206 /nfs/dbraw/zinc/15/62/06/380156206.db2.gz GXSVFKVUWPJCPU-GJZGRUSLSA-N 2 1 292.427 2.022 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000491848351 380359382 /nfs/dbraw/zinc/35/93/82/380359382.db2.gz NHYUTMOHLMVARK-FPLPWBNLSA-N 2 1 295.471 2.075 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000334429562 380399813 /nfs/dbraw/zinc/39/98/13/380399813.db2.gz ZCLAYBKZRUTFIY-UHFFFAOYSA-N 2 1 265.426 2.070 20 0 CEADMP Cc1cnccc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548716991 380551265 /nfs/dbraw/zinc/55/12/65/380551265.db2.gz WIBUUHWAMXFHKX-UHFFFAOYSA-N 2 1 275.396 2.405 20 0 CEADMP C[C@H]1CC[N@@H+](CCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548719823 380552814 /nfs/dbraw/zinc/55/28/14/380552814.db2.gz JWLIRALFUAUENI-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CC[NH+](CCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548719823 380552821 /nfs/dbraw/zinc/55/28/21/380552821.db2.gz JWLIRALFUAUENI-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CC[NH+](CCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548719823 380552828 /nfs/dbraw/zinc/55/28/28/380552828.db2.gz JWLIRALFUAUENI-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1C[C@@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1C ZINC000548747351 380554246 /nfs/dbraw/zinc/55/42/46/380554246.db2.gz ZJBBDLOCBBVXIZ-KKUMJFAQSA-N 2 1 297.487 2.199 20 0 CEADMP CC[C@@H]1C[N@H+](C)CCN1Cc1cc(-n2ccnc2)cs1 ZINC000552138004 380688163 /nfs/dbraw/zinc/68/81/63/380688163.db2.gz XWHKQBWVSOWPSV-CYBMUJFWSA-N 2 1 290.436 2.460 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCN1Cc1cc(-n2ccnc2)cs1 ZINC000552138004 380688166 /nfs/dbraw/zinc/68/81/66/380688166.db2.gz XWHKQBWVSOWPSV-CYBMUJFWSA-N 2 1 290.436 2.460 20 0 CEADMP C[NH+](C)C/C=C\C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000492980325 380750391 /nfs/dbraw/zinc/75/03/91/380750391.db2.gz CTGZTSVAWWCEHN-MRDWYFFCSA-N 2 1 293.455 2.018 20 0 CEADMP c1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000556088372 380869687 /nfs/dbraw/zinc/86/96/87/380869687.db2.gz NRARIGUMAGLPBA-QGZVFWFLSA-N 2 1 274.408 2.373 20 0 CEADMP Cc1ncccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334871024 207219331 /nfs/dbraw/zinc/21/93/31/207219331.db2.gz WNKDPUYZDRLDGW-HOCLYGCPSA-N 2 1 259.397 2.354 20 0 CEADMP CCc1cc(N(CC)CCC[NH+](C)C)nc(C)[nH+]1 ZINC000190291523 542335445 /nfs/dbraw/zinc/33/54/45/542335445.db2.gz XZDLAINMOSPMSC-UHFFFAOYSA-N 2 1 250.390 2.125 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CC[C@H]1[NH3+] ZINC000335265079 208058463 /nfs/dbraw/zinc/05/84/63/208058463.db2.gz FLVXJQYVPUNGGZ-SMDDNHRTSA-N 2 1 276.409 2.103 20 0 CEADMP Cc1cc(N)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000335365185 208282359 /nfs/dbraw/zinc/28/23/59/208282359.db2.gz ZBUMPJBIGGZFBX-JKSUJKDBSA-N 2 1 259.397 2.294 20 0 CEADMP Cc1cnc(CC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000335367732 208291476 /nfs/dbraw/zinc/29/14/76/208291476.db2.gz XFECUYKIDCDUCK-QGZVFWFLSA-N 2 1 273.424 2.269 20 0 CEADMP Cc1cnc(CC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000335367732 208291480 /nfs/dbraw/zinc/29/14/80/208291480.db2.gz XFECUYKIDCDUCK-QGZVFWFLSA-N 2 1 273.424 2.269 20 0 CEADMP Cc1cnc(CC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000335367732 208291487 /nfs/dbraw/zinc/29/14/87/208291487.db2.gz XFECUYKIDCDUCK-QGZVFWFLSA-N 2 1 273.424 2.269 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)n[nH]c2C)[C@@H](C)C1 ZINC000353750253 220301892 /nfs/dbraw/zinc/30/18/92/220301892.db2.gz NLAZHIMOCHBTAW-XHDPSFHLSA-N 2 1 264.417 2.189 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)n[nH]c2C)[C@@H](C)C1 ZINC000353750253 220301895 /nfs/dbraw/zinc/30/18/95/220301895.db2.gz NLAZHIMOCHBTAW-XHDPSFHLSA-N 2 1 264.417 2.189 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)n[nH]c2C)[C@@H](C)C1 ZINC000353750253 220301898 /nfs/dbraw/zinc/30/18/98/220301898.db2.gz NLAZHIMOCHBTAW-XHDPSFHLSA-N 2 1 264.417 2.189 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)n[nH]c2C)[C@@H](C)C1 ZINC000353750253 220301903 /nfs/dbraw/zinc/30/19/03/220301903.db2.gz NLAZHIMOCHBTAW-XHDPSFHLSA-N 2 1 264.417 2.189 20 0 CEADMP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000389005620 542372186 /nfs/dbraw/zinc/37/21/86/542372186.db2.gz IZSIDXHDSOGQMH-RBSFLKMASA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000389005620 542372189 /nfs/dbraw/zinc/37/21/89/542372189.db2.gz IZSIDXHDSOGQMH-RBSFLKMASA-N 2 1 254.418 2.264 20 0 CEADMP Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093461846 184678340 /nfs/dbraw/zinc/67/83/40/184678340.db2.gz CMKJFXIUUHQNIK-AEGPPILISA-N 2 1 263.385 2.302 20 0 CEADMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n(C)n1 ZINC000417988158 227374903 /nfs/dbraw/zinc/37/49/03/227374903.db2.gz RSVXLFJQPOQKKH-GJZGRUSLSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n(C)n1 ZINC000417988158 227374910 /nfs/dbraw/zinc/37/49/10/227374910.db2.gz RSVXLFJQPOQKKH-GJZGRUSLSA-N 2 1 290.455 2.471 20 0 CEADMP O[C@H](C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)C1CCCCC1 ZINC000368972579 285354617 /nfs/dbraw/zinc/35/46/17/285354617.db2.gz GEQLIQYATRJRSW-BRSBDYLESA-N 2 1 292.467 2.344 20 0 CEADMP O[C@H](C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)C1CCCCC1 ZINC000368972579 285354618 /nfs/dbraw/zinc/35/46/18/285354618.db2.gz GEQLIQYATRJRSW-BRSBDYLESA-N 2 1 292.467 2.344 20 0 CEADMP O[C@H](C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)C1CCCCC1 ZINC000368972579 285354619 /nfs/dbraw/zinc/35/46/19/285354619.db2.gz GEQLIQYATRJRSW-BRSBDYLESA-N 2 1 292.467 2.344 20 0 CEADMP C(COCC1CCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000313254125 533367088 /nfs/dbraw/zinc/36/70/88/533367088.db2.gz OHEZAXCNXVVKRL-HOTGVXAUSA-N 2 1 266.429 2.410 20 0 CEADMP COc1cccc(F)c1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000401851071 533572921 /nfs/dbraw/zinc/57/29/21/533572921.db2.gz SQBNCGQBGOLAKL-NSHDSACASA-N 2 1 277.343 2.461 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000414346482 533658326 /nfs/dbraw/zinc/65/83/26/533658326.db2.gz MEIPZDYBSKKOGR-VNQPRFMTSA-N 2 1 291.414 2.477 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000414346482 533658334 /nfs/dbraw/zinc/65/83/34/533658334.db2.gz MEIPZDYBSKKOGR-VNQPRFMTSA-N 2 1 291.414 2.477 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc2[nH]ccc21 ZINC000263845731 131344798 /nfs/dbraw/zinc/34/47/98/131344798.db2.gz KIUWIOVRJSPBJQ-UHFFFAOYSA-N 2 1 254.337 2.463 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000300687384 394457367 /nfs/dbraw/zinc/45/73/67/394457367.db2.gz LQHTVYFWXYRXDM-ARFHVFGLSA-N 2 1 267.461 2.227 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000300687384 394457369 /nfs/dbraw/zinc/45/73/69/394457369.db2.gz LQHTVYFWXYRXDM-ARFHVFGLSA-N 3 1 267.461 2.227 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000300687384 394457372 /nfs/dbraw/zinc/45/73/72/394457372.db2.gz LQHTVYFWXYRXDM-ARFHVFGLSA-N 3 1 267.461 2.227 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000420973329 394459946 /nfs/dbraw/zinc/45/99/46/394459946.db2.gz MZAYZMIUCNWBJM-CABCVRRESA-N 2 1 274.408 2.359 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000420973329 394459947 /nfs/dbraw/zinc/45/99/47/394459947.db2.gz MZAYZMIUCNWBJM-CABCVRRESA-N 2 1 274.408 2.359 20 0 CEADMP CCN1CCC([NH2+][C@H]2COCc3ccccc32)CC1 ZINC000225994075 394470481 /nfs/dbraw/zinc/47/04/81/394470481.db2.gz WKJQIMHTUIKWGN-INIZCTEOSA-N 2 1 260.381 2.332 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000226829413 394471681 /nfs/dbraw/zinc/47/16/81/394471681.db2.gz UJVRLAXTAJGESZ-VXGQWTEUSA-N 2 1 282.428 2.181 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000226829413 394471682 /nfs/dbraw/zinc/47/16/82/394471682.db2.gz UJVRLAXTAJGESZ-VXGQWTEUSA-N 2 1 282.428 2.181 20 0 CEADMP CCCCCC[N@H+]1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000304730286 394487898 /nfs/dbraw/zinc/48/78/98/394487898.db2.gz TXAWTWKJTCLOMW-CVEARBPZSA-N 2 1 268.445 2.488 20 0 CEADMP CC1CCC2(CC1)OC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)O2 ZINC000245555520 394501735 /nfs/dbraw/zinc/50/17/35/394501735.db2.gz CNEPAYBXDJGXOI-MXGMQVIZSA-N 2 1 296.455 2.381 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCO2 ZINC000044534517 394506673 /nfs/dbraw/zinc/50/66/73/394506673.db2.gz CGOKNTHULIMJIV-OLZOCXBDSA-N 2 1 276.380 2.408 20 0 CEADMP CCCN(CC[NH+]1CCCCCC1)C(=O)C[N@@H+](C)C(C)C ZINC000356621567 394581278 /nfs/dbraw/zinc/58/12/78/394581278.db2.gz PJQSKBCFIJXJSX-UHFFFAOYSA-N 2 1 297.487 2.441 20 0 CEADMP CC1(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)COC1 ZINC000309774479 394532337 /nfs/dbraw/zinc/53/23/37/394532337.db2.gz BVANYNNLMGJPJD-MRXNPFEDSA-N 2 1 274.408 2.135 20 0 CEADMP COc1ccc(OC)c(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000312240220 394540171 /nfs/dbraw/zinc/54/01/71/394540171.db2.gz CHQBFMBYDGEFGE-MLGOLLRUSA-N 2 1 278.396 2.121 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000312240220 394540172 /nfs/dbraw/zinc/54/01/72/394540172.db2.gz CHQBFMBYDGEFGE-MLGOLLRUSA-N 2 1 278.396 2.121 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000312398751 394541528 /nfs/dbraw/zinc/54/15/28/394541528.db2.gz URTRHLCBCHSZEF-OAGGEKHMSA-N 2 1 276.428 2.124 20 0 CEADMP CSC1(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CCC1 ZINC000356181741 394555510 /nfs/dbraw/zinc/55/55/10/394555510.db2.gz BRRSZPZZZLVYCC-CQSZACIVSA-N 2 1 286.485 2.099 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[C@@H]1C ZINC000091666142 394658244 /nfs/dbraw/zinc/65/82/44/394658244.db2.gz WRHBTFYYLKGSBE-QCODTGAPSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[C@@H]1C ZINC000091666142 394658246 /nfs/dbraw/zinc/65/82/46/394658246.db2.gz WRHBTFYYLKGSBE-QCODTGAPSA-N 2 1 266.429 2.264 20 0 CEADMP C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)[C@H]1CCCCO1 ZINC000257747695 394597682 /nfs/dbraw/zinc/59/76/82/394597682.db2.gz ZXOIBBOSZSXSEO-HUUCEWRRSA-N 2 1 252.402 2.021 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000093452767 394666307 /nfs/dbraw/zinc/66/63/07/394666307.db2.gz RGIAQMFRJSYGGZ-ZACQAIPSSA-N 2 1 279.472 2.229 20 0 CEADMP Fc1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)CCO2 ZINC000261801847 394607267 /nfs/dbraw/zinc/60/72/67/394607267.db2.gz GYAJRWAGUFFGDX-UHFFFAOYSA-N 2 1 264.344 2.020 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421872235 394623103 /nfs/dbraw/zinc/62/31/03/394623103.db2.gz GPFNOTAOQAVNCK-AKZYDZMLSA-N 3 1 267.461 2.178 20 0 CEADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421872235 394623104 /nfs/dbraw/zinc/62/31/04/394623104.db2.gz GPFNOTAOQAVNCK-AKZYDZMLSA-N 2 1 267.461 2.178 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH+](C)C)C2)CCO1 ZINC000356971666 394668213 /nfs/dbraw/zinc/66/82/13/394668213.db2.gz AJZNOBVKTIURAK-RRFJBIMHSA-N 2 1 254.418 2.075 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000356859689 394633315 /nfs/dbraw/zinc/63/33/15/394633315.db2.gz CJPMOQICLJNUQN-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCCOC1 ZINC000356898545 394646176 /nfs/dbraw/zinc/64/61/76/394646176.db2.gz NEEWZBPONJPRPR-YZDRTPDPSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCOC1 ZINC000356898545 394646177 /nfs/dbraw/zinc/64/61/77/394646177.db2.gz NEEWZBPONJPRPR-YZDRTPDPSA-N 2 1 266.429 2.406 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCN4CCC4)[C@H]3C2)cc1 ZINC000356911336 394650681 /nfs/dbraw/zinc/65/06/81/394650681.db2.gz ZMVWNINEDOGRRN-FHWLQOOXSA-N 2 1 299.462 2.192 20 0 CEADMP C[N@@H+](CCC1CCCCC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414689776 394748502 /nfs/dbraw/zinc/74/85/02/394748502.db2.gz GZJQHLJKNDKPRL-MRXNPFEDSA-N 2 1 295.471 2.086 20 0 CEADMP CC(=O)Nc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422707982 394730928 /nfs/dbraw/zinc/73/09/28/394730928.db2.gz BCQNZBXWENZGNI-GUYCJALGSA-N 2 1 289.423 2.308 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)C[NH+]1CCCCC1 ZINC000422712481 394733845 /nfs/dbraw/zinc/73/38/45/394733845.db2.gz OHAAUAMVBSLJMR-OWCLPIDISA-N 2 1 267.461 2.086 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]C2CCCCCC2)CC1(C)C ZINC000110757868 394737339 /nfs/dbraw/zinc/73/73/39/394737339.db2.gz BHKPPZMQCWDPMC-UHFFFAOYSA-N 2 1 267.461 2.325 20 0 CEADMP CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])ccc1OC ZINC000422725546 394742246 /nfs/dbraw/zinc/74/22/46/394742246.db2.gz BUBDEMFVDCRQOD-QWHCGFSZSA-N 2 1 264.369 2.063 20 0 CEADMP CC[C@@H](C)[N@@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000357034118 394688222 /nfs/dbraw/zinc/68/82/22/394688222.db2.gz VKUTWDXOIQESNF-CQSZACIVSA-N 2 1 250.386 2.262 20 0 CEADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CCC[NH3+])CC1 ZINC000098139169 394702274 /nfs/dbraw/zinc/70/22/74/394702274.db2.gz MDJZHSMRHBXNPC-ZDUSSCGKSA-N 2 1 281.831 2.367 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)c1ccsc1 ZINC000269012475 394706963 /nfs/dbraw/zinc/70/69/63/394706963.db2.gz NGBCFKNXGGUCNO-OXHZDVMGSA-N 2 1 268.426 2.100 20 0 CEADMP CC(C)CC(CC(C)C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358224251 394711693 /nfs/dbraw/zinc/71/16/93/394711693.db2.gz BOYKRLUANLDRAC-HNNXBMFYSA-N 2 1 256.434 2.103 20 0 CEADMP CC(C)CC(CC(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358224251 394711699 /nfs/dbraw/zinc/71/16/99/394711699.db2.gz BOYKRLUANLDRAC-HNNXBMFYSA-N 2 1 256.434 2.103 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000358217385 394711816 /nfs/dbraw/zinc/71/18/16/394711816.db2.gz GUZAOEHREAXKMY-VNQPRFMTSA-N 2 1 262.397 2.304 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000358185227 394712063 /nfs/dbraw/zinc/71/20/63/394712063.db2.gz XYUVIWHSQXJKKH-CHWSQXEVSA-N 2 1 293.480 2.494 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422564150 394712465 /nfs/dbraw/zinc/71/24/65/394712465.db2.gz VOBANILJKRGPFB-SCRDCRAPSA-N 2 1 278.396 2.206 20 0 CEADMP COc1c(O)cccc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422564150 394712469 /nfs/dbraw/zinc/71/24/69/394712469.db2.gz VOBANILJKRGPFB-SCRDCRAPSA-N 2 1 278.396 2.206 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)n21 ZINC000422563856 394712677 /nfs/dbraw/zinc/71/26/77/394712677.db2.gz UPPTURHHOYJNMS-YUELXQCFSA-N 2 1 286.423 2.448 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422735241 394747171 /nfs/dbraw/zinc/74/71/71/394747171.db2.gz DQJSXBZGXLTNNP-OAGGEKHMSA-N 2 1 267.461 2.227 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cn1 ZINC000422565382 394713806 /nfs/dbraw/zinc/71/38/06/394713806.db2.gz YVLYPQOPJFJHII-LZWOXQAQSA-N 2 1 290.455 2.343 20 0 CEADMP C[N@@H+](CCNC(=O)CCCCCC[NH3+])Cc1ccccc1 ZINC000269250149 394715000 /nfs/dbraw/zinc/71/50/00/394715000.db2.gz OWVZGSXOTGLNOB-UHFFFAOYSA-N 2 1 291.439 2.144 20 0 CEADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358264024 394715162 /nfs/dbraw/zinc/71/51/62/394715162.db2.gz YBIHEDOOSUXYPK-WCVJEAGWSA-N 2 1 268.445 2.103 20 0 CEADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358264024 394715166 /nfs/dbraw/zinc/71/51/66/394715166.db2.gz YBIHEDOOSUXYPK-WCVJEAGWSA-N 2 1 268.445 2.103 20 0 CEADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000358344535 394718888 /nfs/dbraw/zinc/71/88/88/394718888.db2.gz KGEWIVOEWUFWSU-KFWWJZLASA-N 2 1 256.434 2.367 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2C)CC1 ZINC000358409743 394720413 /nfs/dbraw/zinc/72/04/13/394720413.db2.gz ILTVRJBXTZPKIN-HNNXBMFYSA-N 2 1 295.471 2.240 20 0 CEADMP COC(=O)c1coc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414168353 394721286 /nfs/dbraw/zinc/72/12/86/394721286.db2.gz AEPQTMTVOGYXJX-CHWSQXEVSA-N 2 1 294.395 2.449 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000414169217 394721640 /nfs/dbraw/zinc/72/16/40/394721640.db2.gz AUYOLTBJMHAZIO-KBPBESRZSA-N 2 1 264.417 2.286 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@H]1C)C2 ZINC000414183228 394724377 /nfs/dbraw/zinc/72/43/77/394724377.db2.gz NCNNHPHHRGRZOU-XPKDYRNWSA-N 2 1 274.408 2.092 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C2 ZINC000414183228 394724381 /nfs/dbraw/zinc/72/43/81/394724381.db2.gz NCNNHPHHRGRZOU-XPKDYRNWSA-N 2 1 274.408 2.092 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000422704614 394728480 /nfs/dbraw/zinc/72/84/80/394728480.db2.gz QAJMGRCJSNDLQE-NWDGAFQWSA-N 2 1 282.771 2.081 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc21 ZINC000335032462 394729165 /nfs/dbraw/zinc/72/91/65/394729165.db2.gz YVDNNRMWXSURCR-CZUORRHYSA-N 2 1 274.408 2.377 20 0 CEADMP CN(C)Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1F ZINC000422739936 394750823 /nfs/dbraw/zinc/75/08/23/394750823.db2.gz AUGDRGBCFMGGFG-WMLDXEAASA-N 2 1 293.430 2.494 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422744206 394754395 /nfs/dbraw/zinc/75/43/95/394754395.db2.gz SONSBYDEAWTTII-PMPSAXMXSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000422748072 394756371 /nfs/dbraw/zinc/75/63/71/394756371.db2.gz RTZBZSURCCFALD-GFCCVEGCSA-N 2 1 267.392 2.104 20 0 CEADMP CC[NH2+]CCNCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414831489 394758914 /nfs/dbraw/zinc/75/89/14/394758914.db2.gz PTCJIEXWPBXIJZ-UHFFFAOYSA-N 2 1 277.456 2.344 20 0 CEADMP c1cn2c(C[NH2+]C[C@H]3CCC[NH2+]C3)c(C3CC3)nc2s1 ZINC000414830593 394759045 /nfs/dbraw/zinc/75/90/45/394759045.db2.gz PADKBIQYVWVMLV-NSHDSACASA-N 2 1 290.436 2.362 20 0 CEADMP C[NH2+]CC[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000414838006 394763296 /nfs/dbraw/zinc/76/32/96/394763296.db2.gz XXRVPCIHCYWRPI-SNVBAGLBSA-N 2 1 271.202 2.189 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cccc3c2NCC3)CCCCC1 ZINC000414839075 394763535 /nfs/dbraw/zinc/76/35/35/394763535.db2.gz ITLOSUQBBSBEFE-UHFFFAOYSA-N 2 1 259.397 2.406 20 0 CEADMP COc1cc(C)c(C[NH2+]CC2([NH3+])CCCCC2)c(C)n1 ZINC000414840369 394764775 /nfs/dbraw/zinc/76/47/75/394764775.db2.gz KBRYNBHLLBCZJR-UHFFFAOYSA-N 2 1 277.412 2.458 20 0 CEADMP COc1cc(C[NH2+]CC2([NH3+])CCCCC2)cc2c1OCO2 ZINC000414845187 394766556 /nfs/dbraw/zinc/76/65/56/394766556.db2.gz QTGJZTHOFPUYIB-UHFFFAOYSA-N 2 1 292.379 2.175 20 0 CEADMP C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414845562 394766857 /nfs/dbraw/zinc/76/68/57/394766857.db2.gz DQBMMQFYQMHFBQ-CRAIPNDOSA-N 2 1 298.434 2.409 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422764600 394767545 /nfs/dbraw/zinc/76/75/45/394767545.db2.gz PXGCWFROLPLVHR-ZNMIVQPWSA-N 3 1 269.477 2.460 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000422764600 394767547 /nfs/dbraw/zinc/76/75/47/394767547.db2.gz PXGCWFROLPLVHR-ZNMIVQPWSA-N 2 1 269.477 2.460 20 0 CEADMP CC[C@H]([NH2+]CCc1cc(OC)ccc1OC)[C@@H]1CCC[NH2+]1 ZINC000422763793 394768002 /nfs/dbraw/zinc/76/80/02/394768002.db2.gz PLAGTYZXKSFKQA-HOTGVXAUSA-N 2 1 292.423 2.367 20 0 CEADMP COc1cc(C[NH2+]CC2([NH3+])CCCCC2)cc(OC)c1 ZINC000414845967 394768205 /nfs/dbraw/zinc/76/82/05/394768205.db2.gz RPYPFPOMADSUGF-UHFFFAOYSA-N 2 1 278.396 2.455 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414846156 394768264 /nfs/dbraw/zinc/76/82/64/394768264.db2.gz UEEXYHNXGSDSBV-LZLYRXPVSA-N 2 1 289.467 2.485 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000414846156 394768267 /nfs/dbraw/zinc/76/82/67/394768267.db2.gz UEEXYHNXGSDSBV-LZLYRXPVSA-N 2 1 289.467 2.485 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414846156 394768270 /nfs/dbraw/zinc/76/82/70/394768270.db2.gz UEEXYHNXGSDSBV-LZLYRXPVSA-N 3 1 289.467 2.485 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414846156 394768273 /nfs/dbraw/zinc/76/82/73/394768273.db2.gz UEEXYHNXGSDSBV-LZLYRXPVSA-N 3 1 289.467 2.485 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414846151 394768339 /nfs/dbraw/zinc/76/83/39/394768339.db2.gz UEEXYHNXGSDSBV-BQFCYCMXSA-N 2 1 289.467 2.485 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000414846151 394768341 /nfs/dbraw/zinc/76/83/41/394768341.db2.gz UEEXYHNXGSDSBV-BQFCYCMXSA-N 2 1 289.467 2.485 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414846151 394768343 /nfs/dbraw/zinc/76/83/43/394768343.db2.gz UEEXYHNXGSDSBV-BQFCYCMXSA-N 3 1 289.467 2.485 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414846151 394768344 /nfs/dbraw/zinc/76/83/44/394768344.db2.gz UEEXYHNXGSDSBV-BQFCYCMXSA-N 3 1 289.467 2.485 20 0 CEADMP CC[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422766268 394768521 /nfs/dbraw/zinc/76/85/21/394768521.db2.gz RDBPBNMRIZKKFK-KSZLIROESA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422768837 394770889 /nfs/dbraw/zinc/77/08/89/394770889.db2.gz OEKBXXRSNMUARU-ARFHVFGLSA-N 2 1 267.461 2.371 20 0 CEADMP CC[NH2+]CC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000414852956 394771240 /nfs/dbraw/zinc/77/12/40/394771240.db2.gz XAZYNUNNWJSDRZ-CYBMUJFWSA-N 2 1 250.386 2.215 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000414855904 394773638 /nfs/dbraw/zinc/77/36/38/394773638.db2.gz XVLODXOFQKMUTM-MRXNPFEDSA-N 2 1 290.407 2.470 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000422775573 394775695 /nfs/dbraw/zinc/77/56/95/394775695.db2.gz BXVGZWVHYQXNPW-ZDUSSCGKSA-N 3 1 252.406 2.079 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1cccc(Br)c1OC ZINC000414862588 394776178 /nfs/dbraw/zinc/77/61/78/394776178.db2.gz VNAKYEOGBCILAF-UHFFFAOYSA-N 2 1 287.201 2.157 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)Oc1cccc(F)c1 ZINC000422780738 394779533 /nfs/dbraw/zinc/77/95/33/394779533.db2.gz DHIYFSOSUMVOMS-SLEUVZQESA-N 2 1 266.360 2.323 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000422782639 394781762 /nfs/dbraw/zinc/78/17/62/394781762.db2.gz GTSVPJSHMBJWFO-SCRDCRAPSA-N 2 1 266.360 2.323 20 0 CEADMP C[C@@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000360014976 394784395 /nfs/dbraw/zinc/78/43/95/394784395.db2.gz GTDKHXHJPQZCLC-AWEZNQCLSA-N 2 1 297.487 2.153 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422787190 394785726 /nfs/dbraw/zinc/78/57/26/394785726.db2.gz RHVUHBSTNANXSX-QWRGUYRKSA-N 2 1 289.210 2.270 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000422791209 394789672 /nfs/dbraw/zinc/78/96/72/394789672.db2.gz VSABAGIQXZFDMG-HIFRSBDPSA-N 2 1 272.396 2.014 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1ccc(Br)cc1)C1CC1 ZINC000414892881 394792827 /nfs/dbraw/zinc/79/28/27/394792827.db2.gz JRQMTOSSUKFAPR-GFCCVEGCSA-N 2 1 269.186 2.276 20 0 CEADMP c1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)c2c(c1)OCCCO2 ZINC000414916132 394802076 /nfs/dbraw/zinc/80/20/76/394802076.db2.gz NYKCTHRERHCVBX-CQSZACIVSA-N 2 1 276.380 2.080 20 0 CEADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NCC(F)(F)C[NH3+])CC2)C1 ZINC000414922211 394804910 /nfs/dbraw/zinc/80/49/10/394804910.db2.gz CJJSJRGINCVKOK-OCCSQVGLSA-N 2 1 289.414 2.213 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000422815654 394807668 /nfs/dbraw/zinc/80/76/68/394807668.db2.gz CEBAZAGMFNSJMC-BBRMVZONSA-N 2 1 269.392 2.365 20 0 CEADMP C[C@H]1C[C@@H](NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000414930472 394808223 /nfs/dbraw/zinc/80/82/23/394808223.db2.gz PBIZIIWXECYKBC-ZFWWWQNUSA-N 2 1 297.393 2.223 20 0 CEADMP C[C@H]1C[C@@H](NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000414930472 394808227 /nfs/dbraw/zinc/80/82/27/394808227.db2.gz PBIZIIWXECYKBC-ZFWWWQNUSA-N 2 1 297.393 2.223 20 0 CEADMP C[C@H]1C[C@H](NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000414930467 394808938 /nfs/dbraw/zinc/80/89/38/394808938.db2.gz PBIZIIWXECYKBC-DZGCQCFKSA-N 2 1 297.393 2.223 20 0 CEADMP C[C@H]1C[C@H](NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000414930467 394808939 /nfs/dbraw/zinc/80/89/39/394808939.db2.gz PBIZIIWXECYKBC-DZGCQCFKSA-N 2 1 297.393 2.223 20 0 CEADMP C[C@@H](CCN[C@H]1C[NH2+]CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000422818237 394809869 /nfs/dbraw/zinc/80/98/69/394809869.db2.gz FSXOVZTWNQDCGV-RYRKJORJSA-N 2 1 289.467 2.485 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414933996 394809889 /nfs/dbraw/zinc/80/98/89/394809889.db2.gz ACTVHCWMRZDJAL-GUYCJALGSA-N 2 1 284.407 2.268 20 0 CEADMP CC[C@@H](NCC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422821021 394811873 /nfs/dbraw/zinc/81/18/73/394811873.db2.gz UCLUXLGHEKCTOX-SJORKVTESA-N 2 1 293.430 2.378 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000422823760 394812826 /nfs/dbraw/zinc/81/28/26/394812826.db2.gz FDVHKMJOXKZJAO-HOTGVXAUSA-N 2 1 288.439 2.431 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422830564 394817122 /nfs/dbraw/zinc/81/71/22/394817122.db2.gz IRERVNIODCCIEH-ZMSDIMECSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422830564 394817126 /nfs/dbraw/zinc/81/71/26/394817126.db2.gz IRERVNIODCCIEH-ZMSDIMECSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)C[NH3+])c1cccc(Br)c1 ZINC000414947651 394817925 /nfs/dbraw/zinc/81/79/25/394817925.db2.gz VMCREMUZWPKZAU-UWVGGRQHSA-N 2 1 271.202 2.489 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000414750788 394750426 /nfs/dbraw/zinc/75/04/26/394750426.db2.gz YTSJOECUGPGUEG-CABCVRRESA-N 2 1 254.418 2.108 20 0 CEADMP c1ccc2c(c1)cccc2C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415047678 394863685 /nfs/dbraw/zinc/86/36/85/394863685.db2.gz WBTBRZHWEVGXFR-MRXNPFEDSA-N 2 1 270.376 2.308 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@@]1(C)C[NH3+] ZINC000415056465 394867656 /nfs/dbraw/zinc/86/76/56/394867656.db2.gz QJZJIRXXMMMUDK-CXAGYDPISA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@@]1(C)C[NH3+] ZINC000415056465 394867657 /nfs/dbraw/zinc/86/76/57/394867657.db2.gz QJZJIRXXMMMUDK-CXAGYDPISA-N 2 1 284.407 2.493 20 0 CEADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[NH2+]C1 ZINC000415066707 394871927 /nfs/dbraw/zinc/87/19/27/394871927.db2.gz AMYGBFFWRDOBSI-ZYHUDNBSSA-N 2 1 283.213 2.332 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC000337201328 394885500 /nfs/dbraw/zinc/88/55/00/394885500.db2.gz CUEVUZGPGKNMEE-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCc1noc(CC)c1C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415077486 394878208 /nfs/dbraw/zinc/87/82/08/394878208.db2.gz FHHVARCJJGTBLG-RYUDHWBXSA-N 2 1 265.401 2.420 20 0 CEADMP Cc1cncc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423008586 394878815 /nfs/dbraw/zinc/87/88/15/394878815.db2.gz ALIQUMBFYJTHNA-YOEHRIQHSA-N 2 1 269.392 2.438 20 0 CEADMP CCCC[NH+]1CCC(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000130019948 394879687 /nfs/dbraw/zinc/87/96/87/394879687.db2.gz QWFXJEBWEIARTH-HOCLYGCPSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)[C@H]1CCC[NH2+]1 ZINC000423009780 394879770 /nfs/dbraw/zinc/87/97/70/394879770.db2.gz DWNRKGNHRIOVJA-CXAGYDPISA-N 2 1 284.407 2.317 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423012133 394881072 /nfs/dbraw/zinc/88/10/72/394881072.db2.gz JZLBINRWWTUJFS-SVGFKBNWSA-N 2 1 273.424 2.162 20 0 CEADMP CC[C@H](N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422854680 394830739 /nfs/dbraw/zinc/83/07/39/394830739.db2.gz BEWLWEQZTQEUSB-BPUTZDHNSA-N 2 1 265.445 2.124 20 0 CEADMP CC[NH2+][C@H](C)CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000414969610 394831283 /nfs/dbraw/zinc/83/12/83/394831283.db2.gz ZLWDLANKWHFIJC-INMHGKMJSA-N 2 1 275.440 2.095 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000422862075 394836120 /nfs/dbraw/zinc/83/61/20/394836120.db2.gz JUEAZKWCBYAWGH-WHOFXGATSA-N 2 1 288.439 2.125 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000422862075 394836124 /nfs/dbraw/zinc/83/61/24/394836124.db2.gz JUEAZKWCBYAWGH-WHOFXGATSA-N 2 1 288.439 2.125 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422870178 394840616 /nfs/dbraw/zinc/84/06/16/394840616.db2.gz BIBWQVFIMMXVKG-LJIGWXMPSA-N 2 1 275.440 2.365 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422870178 394840619 /nfs/dbraw/zinc/84/06/19/394840619.db2.gz BIBWQVFIMMXVKG-LJIGWXMPSA-N 2 1 275.440 2.365 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422874225 394842481 /nfs/dbraw/zinc/84/24/81/394842481.db2.gz CIGPHZREAUMPEB-FZKCQIBNSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCC[C@@H]2N)C1 ZINC000422874225 394842486 /nfs/dbraw/zinc/84/24/86/394842486.db2.gz CIGPHZREAUMPEB-FZKCQIBNSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCC[C@@H]2N)C1 ZINC000422874225 394842493 /nfs/dbraw/zinc/84/24/93/394842493.db2.gz CIGPHZREAUMPEB-FZKCQIBNSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423025817 394883453 /nfs/dbraw/zinc/88/34/53/394883453.db2.gz ACBIBFORWMHDLC-USXIJHARSA-N 2 1 276.424 2.100 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422874938 394843177 /nfs/dbraw/zinc/84/31/77/394843177.db2.gz DQDWGLOPRUMSHW-ZNMIVQPWSA-N 3 1 255.450 2.356 20 0 CEADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000414999928 394843497 /nfs/dbraw/zinc/84/34/97/394843497.db2.gz KWHIPJOZKSXLTL-AGIUHOORSA-N 2 1 258.356 2.400 20 0 CEADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000279748366 394843736 /nfs/dbraw/zinc/84/37/36/394843736.db2.gz PTZXEYTWNCKVCD-XJKSGUPXSA-N 2 1 262.397 2.446 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000415006545 394846294 /nfs/dbraw/zinc/84/62/94/394846294.db2.gz KNJZAOWXERRKSS-KBPBESRZSA-N 2 1 285.391 2.486 20 0 CEADMP CC[N@@H+](CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])C(C)C ZINC000422882783 394847987 /nfs/dbraw/zinc/84/79/87/394847987.db2.gz TYPMHJCHDSADHV-RDJZCZTQSA-N 2 1 277.456 2.265 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422884611 394849230 /nfs/dbraw/zinc/84/92/30/394849230.db2.gz SEFDBFHNWPUIOO-OAGGEKHMSA-N 3 1 267.461 2.216 20 0 CEADMP COc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1SC ZINC000415013028 394849687 /nfs/dbraw/zinc/84/96/87/394849687.db2.gz ULLPGIHEAAZNJP-ZJUUUORDSA-N 2 1 254.399 2.242 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)C1C[NH2+]C1 ZINC000422889303 394852252 /nfs/dbraw/zinc/85/22/52/394852252.db2.gz FQDUZHJAORQSJK-CQSZACIVSA-N 2 1 288.439 2.015 20 0 CEADMP CC[C@H]([NH2+]CCc1nc(C)c(C)s1)[C@@H]1CCC[NH2+]1 ZINC000422897008 394854882 /nfs/dbraw/zinc/85/48/82/394854882.db2.gz ZEXVGSKGNDMPRG-STQMWFEESA-N 2 1 267.442 2.423 20 0 CEADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415032558 394855903 /nfs/dbraw/zinc/85/59/03/394855903.db2.gz HQYLSHQJKMZJQD-ITGUQSILSA-N 2 1 270.298 2.321 20 0 CEADMP Cc1csc(CCCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)n1 ZINC000422909586 394858683 /nfs/dbraw/zinc/85/86/83/394858683.db2.gz OJBLESJCGWXTHP-DGCLKSJQSA-N 2 1 267.442 2.362 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000415092038 394887256 /nfs/dbraw/zinc/88/72/56/394887256.db2.gz RXPNLQGFJQAOBV-HOTGVXAUSA-N 2 1 295.471 2.131 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000363791029 394886164 /nfs/dbraw/zinc/88/61/64/394886164.db2.gz BRFSYXCBTSPQHJ-AWEZNQCLSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000363791029 394886167 /nfs/dbraw/zinc/88/61/67/394886167.db2.gz BRFSYXCBTSPQHJ-AWEZNQCLSA-N 2 1 277.412 2.473 20 0 CEADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCC[NH3+])CC1 ZINC000423339012 394890787 /nfs/dbraw/zinc/89/07/87/394890787.db2.gz WFRINJVBMWUUNJ-INIZCTEOSA-N 2 1 289.467 2.411 20 0 CEADMP COC(=O)C(C)(C)C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415104790 394891248 /nfs/dbraw/zinc/89/12/48/394891248.db2.gz LFRSNDOHEQFNCQ-LSDHHAIUSA-N 2 1 290.407 2.269 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1c[nH]nc1-c1ccsc1 ZINC000415118996 394895590 /nfs/dbraw/zinc/89/55/90/394895590.db2.gz DYNHAEZZFUAMBU-UHFFFAOYSA-N 2 1 264.398 2.180 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1c[nH]nc1-c1ccsc1 ZINC000415118996 394895594 /nfs/dbraw/zinc/89/55/94/394895594.db2.gz DYNHAEZZFUAMBU-UHFFFAOYSA-N 2 1 264.398 2.180 20 0 CEADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415119992 394896380 /nfs/dbraw/zinc/89/63/80/394896380.db2.gz FQCNYSSMDAKXFW-QGZVFWFLSA-N 2 1 299.422 2.191 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CC[C@H]3CCCO3)C2)CC1 ZINC000366862564 394953948 /nfs/dbraw/zinc/95/39/48/394953948.db2.gz BZRQMCIAYOMEQE-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000423363970 394901473 /nfs/dbraw/zinc/90/14/73/394901473.db2.gz OKCNIKGVUSDCNC-QPSCCSFWSA-N 2 1 276.428 2.034 20 0 CEADMP C[C@@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000423364643 394902623 /nfs/dbraw/zinc/90/26/23/394902623.db2.gz OWOWAQBIKIQQEQ-NXHRZFHOSA-N 2 1 287.451 2.381 20 0 CEADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423368419 394903797 /nfs/dbraw/zinc/90/37/97/394903797.db2.gz RXNXSRYJVRYZJN-UGUYLWEFSA-N 2 1 296.455 2.476 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CCSCC1 ZINC000131167272 394904255 /nfs/dbraw/zinc/90/42/55/394904255.db2.gz QDHBQWNFCPMANV-MBNYWOFBSA-N 2 1 256.459 2.448 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423371339 394904563 /nfs/dbraw/zinc/90/45/63/394904563.db2.gz VCTJAEZSSWAGFM-REWIBIJMSA-N 2 1 282.428 2.086 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423386081 394908900 /nfs/dbraw/zinc/90/89/00/394908900.db2.gz RDKOILMYDGHLIW-QLFBSQMISA-N 2 1 295.471 2.144 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423422088 394918680 /nfs/dbraw/zinc/91/86/80/394918680.db2.gz CRTAUVFRJJMJMK-ZDUSSCGKSA-N 2 1 277.412 2.168 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000423456585 394924994 /nfs/dbraw/zinc/92/49/94/394924994.db2.gz DRPXSRNUALOFJZ-DGCLKSJQSA-N 2 1 264.369 2.018 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1ccc(OC)c2F ZINC000423484633 394931071 /nfs/dbraw/zinc/93/10/71/394931071.db2.gz YQODHGATLPXFNW-SKDRFNHKSA-N 2 1 252.333 2.149 20 0 CEADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423492534 394933939 /nfs/dbraw/zinc/93/39/39/394933939.db2.gz NLSQKHWIMRASGM-DIOULYMOSA-N 2 1 278.371 2.027 20 0 CEADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)s1 ZINC000423502486 394938002 /nfs/dbraw/zinc/93/80/02/394938002.db2.gz FBRNXSIOCREVQX-NEPJUHHUSA-N 2 1 268.426 2.340 20 0 CEADMP CC(C)[C@H]1CC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423505611 394939631 /nfs/dbraw/zinc/93/96/31/394939631.db2.gz HFWZQSLVOVCMCQ-BHUNQDJPSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423519556 394942989 /nfs/dbraw/zinc/94/29/89/394942989.db2.gz PZQCWHZAXLBCJG-CWRNSKLLSA-N 3 1 261.413 2.197 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1CCCOC1 ZINC000423533643 394946944 /nfs/dbraw/zinc/94/69/44/394946944.db2.gz UDWUGSMOFCKWDU-PQEBFOHHSA-N 2 1 274.408 2.147 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000423550533 394949953 /nfs/dbraw/zinc/94/99/53/394949953.db2.gz NZWNQZFNJUBZEK-KUQKPQIMSA-N 2 1 289.467 2.407 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1O ZINC000423553044 394950844 /nfs/dbraw/zinc/95/08/44/394950844.db2.gz KBYMNFJQFVPLRL-LLVKDONJSA-N 2 1 264.369 2.194 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C1(C)C ZINC000423567075 394952284 /nfs/dbraw/zinc/95/22/84/394952284.db2.gz UPJWPZRGIKDXEW-BFHYXJOUSA-N 2 1 254.418 2.310 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000423778053 394982094 /nfs/dbraw/zinc/98/20/94/394982094.db2.gz SMPUPHPQCDWYIH-CABCVRRESA-N 2 1 297.487 2.249 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000423781505 394983699 /nfs/dbraw/zinc/98/36/99/394983699.db2.gz XVVLKPJRVQBCAZ-HOCLYGCPSA-N 2 1 291.439 2.231 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H](O)C(F)(F)F ZINC000341375678 394999323 /nfs/dbraw/zinc/99/93/23/394999323.db2.gz UGMKRUXWAQZYEU-RYUDHWBXSA-N 2 1 282.350 2.151 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1C ZINC000153681379 395014068 /nfs/dbraw/zinc/01/40/68/395014068.db2.gz BYFZHBAMWXPBQL-QLFBSQMISA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1C ZINC000153681379 395014072 /nfs/dbraw/zinc/01/40/72/395014072.db2.gz BYFZHBAMWXPBQL-QLFBSQMISA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1C ZINC000153681379 395014075 /nfs/dbraw/zinc/01/40/75/395014075.db2.gz BYFZHBAMWXPBQL-QLFBSQMISA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCOC1 ZINC000153696245 395015719 /nfs/dbraw/zinc/01/57/19/395015719.db2.gz OPOZQKWCIUMCME-BFHYXJOUSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCOC1 ZINC000153696245 395015720 /nfs/dbraw/zinc/01/57/20/395015720.db2.gz OPOZQKWCIUMCME-BFHYXJOUSA-N 2 1 252.402 2.018 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342701558 395019726 /nfs/dbraw/zinc/01/97/26/395019726.db2.gz YXPZAOIEQSUQDS-XHSDSOJGSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367609925 394966729 /nfs/dbraw/zinc/96/67/29/394966729.db2.gz YPJHNGJTSREHJE-DZGCQCFKSA-N 2 1 276.428 2.497 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367609925 394966734 /nfs/dbraw/zinc/96/67/34/394966734.db2.gz YPJHNGJTSREHJE-DZGCQCFKSA-N 2 1 276.428 2.497 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415917914 394977822 /nfs/dbraw/zinc/97/78/22/394977822.db2.gz JZLQYCLTQOOFIC-CYBMUJFWSA-N 2 1 292.427 2.258 20 0 CEADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000423764306 394980260 /nfs/dbraw/zinc/98/02/60/394980260.db2.gz SMYQTXLXVQYIQU-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCO2)[C@@H](C)C1 ZINC000346554603 395100842 /nfs/dbraw/zinc/10/08/42/395100842.db2.gz IUDQLSVSSDRNGL-YVSFHVDLSA-N 2 1 298.471 2.281 20 0 CEADMP Cc1[nH+]ccn1CCCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000161870124 395066385 /nfs/dbraw/zinc/06/63/85/395066385.db2.gz KFQRZDOFDXQSIX-HOCLYGCPSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1[nH+]ccn1CCCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000161870124 395066388 /nfs/dbraw/zinc/06/63/88/395066388.db2.gz KFQRZDOFDXQSIX-HOCLYGCPSA-N 2 1 276.428 2.140 20 0 CEADMP OC[C@@]1([NH2+]CCC[NH+]2CCCCC2)CCc2ccccc21 ZINC000161965150 395068602 /nfs/dbraw/zinc/06/86/02/395068602.db2.gz QCULMPNHGYTXRE-SFHVURJKSA-N 2 1 288.435 2.286 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21)C[NH+](C)C ZINC000425944576 395071269 /nfs/dbraw/zinc/07/12/69/395071269.db2.gz XTLVXKGOCIBWKT-FZMZJTMJSA-N 2 1 293.386 2.386 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000427122202 395092822 /nfs/dbraw/zinc/09/28/22/395092822.db2.gz AQWNFFKEDHIVJM-HOTGVXAUSA-N 2 1 259.397 2.006 20 0 CEADMP O=c1[nH]c2ccccc2cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427133828 395093122 /nfs/dbraw/zinc/09/31/22/395093122.db2.gz SDXAHDGIPUOGKI-UKRRQHHQSA-N 2 1 283.375 2.124 20 0 CEADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427133828 395093124 /nfs/dbraw/zinc/09/31/24/395093124.db2.gz SDXAHDGIPUOGKI-UKRRQHHQSA-N 2 1 283.375 2.124 20 0 CEADMP C[C@@H]1C[C@H](NCc2cn(C)nc2C(C)(C)C)CC[N@H+]1C ZINC000158146628 395039399 /nfs/dbraw/zinc/03/93/99/395039399.db2.gz MIZXHAXOESJDIZ-TZMCWYRMSA-N 2 1 278.444 2.290 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2C(C)(C)C)CCN1C ZINC000158146628 395039404 /nfs/dbraw/zinc/03/94/04/395039404.db2.gz MIZXHAXOESJDIZ-TZMCWYRMSA-N 2 1 278.444 2.290 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000343589168 395041962 /nfs/dbraw/zinc/04/19/62/395041962.db2.gz FSYTXXHQJBVQIE-VNQPRFMTSA-N 2 1 268.445 2.105 20 0 CEADMP CCN1CCC([N@@H+](C)C[C@H](O)C2CCCCC2)CC1 ZINC000158369133 395043714 /nfs/dbraw/zinc/04/37/14/395043714.db2.gz SMVVURZOYPEFNM-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)C2CCCCC2)CC1 ZINC000158369133 395043717 /nfs/dbraw/zinc/04/37/17/395043717.db2.gz SMVVURZOYPEFNM-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)C2CCCCC2)CC1 ZINC000158369133 395043721 /nfs/dbraw/zinc/04/37/21/395043721.db2.gz SMVVURZOYPEFNM-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](O)c1ccccc1 ZINC000290315302 395099607 /nfs/dbraw/zinc/09/96/07/395099607.db2.gz NYYVXOWQSYBJPT-RKTXRCNFSA-N 2 1 274.408 2.325 20 0 CEADMP CC(=O)NC1CCC([NH2+]CC2([NH+](C)C)CCCCC2)CC1 ZINC000427565895 395121224 /nfs/dbraw/zinc/12/12/24/395121224.db2.gz PQXWRWRPESXMED-UHFFFAOYSA-N 2 1 295.471 2.288 20 0 CEADMP CC(C)[C@@H]([NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000427562294 395121368 /nfs/dbraw/zinc/12/13/68/395121368.db2.gz AQVKPYJOUDRXRB-CYBMUJFWSA-N 2 1 274.368 2.454 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417915757 395160108 /nfs/dbraw/zinc/16/01/08/395160108.db2.gz VAVCYMXIPZVDCR-KBPBESRZSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCCCO1 ZINC000379202383 395162208 /nfs/dbraw/zinc/16/22/08/395162208.db2.gz ZEXFCCUREUKDGU-YJNKXOJESA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCCCO1 ZINC000379202383 395162212 /nfs/dbraw/zinc/16/22/12/395162212.db2.gz ZEXFCCUREUKDGU-YJNKXOJESA-N 2 1 252.402 2.160 20 0 CEADMP CC[C@@H](O)C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379646425 395164632 /nfs/dbraw/zinc/16/46/32/395164632.db2.gz IZNMXKNOFQDMQN-GDBMZVCRSA-N 2 1 264.413 2.258 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)C(C)C ZINC000432810451 395180868 /nfs/dbraw/zinc/18/08/68/395180868.db2.gz XDKNQGJLAIKCES-CQSZACIVSA-N 2 1 267.417 2.174 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)C(C)C ZINC000432810451 395180873 /nfs/dbraw/zinc/18/08/73/395180873.db2.gz XDKNQGJLAIKCES-CQSZACIVSA-N 2 1 267.417 2.174 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000380391344 395167776 /nfs/dbraw/zinc/16/77/76/395167776.db2.gz YZCGILCCYOBDCY-QGZVFWFLSA-N 2 1 274.408 2.368 20 0 CEADMP C[NH+](C)[C@@H](CNC(=O)CC(C)(C)[NH3+])c1ccccc1Cl ZINC000178662315 395171948 /nfs/dbraw/zinc/17/19/48/395171948.db2.gz NJLCIRGDXKMGEC-ZDUSSCGKSA-N 2 1 297.830 2.186 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000398237604 395230451 /nfs/dbraw/zinc/23/04/51/395230451.db2.gz ZLXWJMJEOGFSQM-NXHRZFHOSA-N 2 1 287.451 2.239 20 0 CEADMP Cc1ccc2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cn2c1 ZINC000397286718 395220859 /nfs/dbraw/zinc/22/08/59/395220859.db2.gz UXRJNUWXLYEMSN-ILXRZTDVSA-N 2 1 286.423 2.448 20 0 CEADMP Cc1ccc2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cn2c1 ZINC000397286718 395220865 /nfs/dbraw/zinc/22/08/65/395220865.db2.gz UXRJNUWXLYEMSN-ILXRZTDVSA-N 2 1 286.423 2.448 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2)C[C@H]1C[NH3+] ZINC000397289137 395221299 /nfs/dbraw/zinc/22/12/99/395221299.db2.gz WEJWTWTYJBXOIQ-QLFBSQMISA-N 2 1 289.423 2.320 20 0 CEADMP c1cc(CCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccn1 ZINC000420322780 395326093 /nfs/dbraw/zinc/32/60/93/395326093.db2.gz FKFYWDARGNXJCL-IAGOWNOFSA-N 2 1 273.424 2.336 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000420291833 395299663 /nfs/dbraw/zinc/29/96/63/395299663.db2.gz LDCMXYHUSNXCAM-NSHDSACASA-N 2 1 278.400 2.286 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000420294356 395300146 /nfs/dbraw/zinc/30/01/46/395300146.db2.gz SNVDJQWILBIUAD-GHMZBOCLSA-N 2 1 282.409 2.094 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000420294356 395300150 /nfs/dbraw/zinc/30/01/50/395300150.db2.gz SNVDJQWILBIUAD-GHMZBOCLSA-N 2 1 282.409 2.094 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCOCC2)[C@H]2CCC[C@@H]21 ZINC000353616988 395303552 /nfs/dbraw/zinc/30/35/52/395303552.db2.gz CKPOFIAXUIMCLU-ILXRZTDVSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc(Cl)c1 ZINC000420299405 395306432 /nfs/dbraw/zinc/30/64/32/395306432.db2.gz GKABTBRWJWNFTM-UHFFFAOYSA-N 2 1 295.858 2.456 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420306870 395311190 /nfs/dbraw/zinc/31/11/90/395311190.db2.gz LGJCASNCFOBJKF-DZGCQCFKSA-N 2 1 262.397 2.297 20 0 CEADMP CC(C)CN(C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])C(C)C ZINC000420310835 395315280 /nfs/dbraw/zinc/31/52/80/395315280.db2.gz GXMVEEUZOYGAMV-HNNXBMFYSA-N 2 1 283.460 2.083 20 0 CEADMP CC(C)CN(C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])C(C)C ZINC000420310835 395315283 /nfs/dbraw/zinc/31/52/83/395315283.db2.gz GXMVEEUZOYGAMV-HNNXBMFYSA-N 2 1 283.460 2.083 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(C)s1 ZINC000420312701 395316261 /nfs/dbraw/zinc/31/62/61/395316261.db2.gz IHKYJHJWDUBDSH-ONGXEEELSA-N 2 1 282.409 2.012 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(C)s1 ZINC000420312701 395316264 /nfs/dbraw/zinc/31/62/64/395316264.db2.gz IHKYJHJWDUBDSH-ONGXEEELSA-N 2 1 282.409 2.012 20 0 CEADMP c1cc(C[N@H+](CC[C@H]2CC[NH2+]C2)Cc2ccccc2)n[nH]1 ZINC000420314966 395318480 /nfs/dbraw/zinc/31/84/80/395318480.db2.gz KROIALSHGXPLQH-OAHLLOKOSA-N 2 1 284.407 2.412 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000525640213 395264996 /nfs/dbraw/zinc/26/49/96/395264996.db2.gz VGJNKPULIXCUOX-HNNXBMFYSA-N 2 1 254.418 2.075 20 0 CEADMP CN(C)c1cccc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)c1 ZINC000420375722 395360455 /nfs/dbraw/zinc/36/04/55/395360455.db2.gz PPJHRETXZXBGIL-AWEZNQCLSA-N 2 1 261.413 2.184 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCOCCOc1ccccc1 ZINC000420377765 395364747 /nfs/dbraw/zinc/36/47/47/395364747.db2.gz WOOHUFYFVHXHRF-BFYDXBDKSA-N 2 1 292.423 2.058 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](CCC[NH3+])CC1)CC(C)C ZINC000420380977 395365530 /nfs/dbraw/zinc/36/55/30/395365530.db2.gz XEFKJCIPFFXBCN-UHFFFAOYSA-N 3 1 269.477 2.415 20 0 CEADMP CC[C@H]1CC[C@H](C)[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420379813 395366359 /nfs/dbraw/zinc/36/63/59/395366359.db2.gz VSIUUKDZKHREIV-HJWJTTGWSA-N 2 1 276.424 2.180 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000420405480 395372652 /nfs/dbraw/zinc/37/26/52/395372652.db2.gz MYRNSVLFEVJCCV-ZWKOPEQDSA-N 2 1 254.761 2.107 20 0 CEADMP CCCN(CCC)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420413057 395373725 /nfs/dbraw/zinc/37/37/25/395373725.db2.gz ZMHNJRBPPHKMLW-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420413057 395373728 /nfs/dbraw/zinc/37/37/28/395373728.db2.gz ZMHNJRBPPHKMLW-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+](CC(=O)NC1CCC(C)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435622779 395378586 /nfs/dbraw/zinc/37/85/86/395378586.db2.gz APYGALZWHBHAKF-UYSNPLJNSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@@H+](CC(=O)NC1CCC(C)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435622779 395378591 /nfs/dbraw/zinc/37/85/91/395378591.db2.gz APYGALZWHBHAKF-UYSNPLJNSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435616648 395378885 /nfs/dbraw/zinc/37/88/85/395378885.db2.gz TXCRRFWOJLRIQK-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435616648 395378886 /nfs/dbraw/zinc/37/88/86/395378886.db2.gz TXCRRFWOJLRIQK-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000442771590 395393513 /nfs/dbraw/zinc/39/35/13/395393513.db2.gz UGLRFVLPFLLLJU-KGLIPLIRSA-N 2 1 297.402 2.447 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000442771590 395393515 /nfs/dbraw/zinc/39/35/15/395393515.db2.gz UGLRFVLPFLLLJU-KGLIPLIRSA-N 2 1 297.402 2.447 20 0 CEADMP C[NH2+]CCCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000435883752 395394175 /nfs/dbraw/zinc/39/41/75/395394175.db2.gz MSJJOJOWIBIONL-HZPDHXFCSA-N 2 1 267.461 2.182 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420327887 395329041 /nfs/dbraw/zinc/32/90/41/395329041.db2.gz ZBFBZAOZBOULQG-CQSZACIVSA-N 2 1 250.386 2.469 20 0 CEADMP c1ccc2c(c1)CC[C@H]2[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420327335 395329994 /nfs/dbraw/zinc/32/99/94/395329994.db2.gz YILACCHLVOBUEP-GOSISDBHSA-N 2 1 285.435 2.044 20 0 CEADMP CC(C)[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000354648136 395336992 /nfs/dbraw/zinc/33/69/92/395336992.db2.gz LYIWDYBGUAMHSO-IRXDYDNUSA-N 2 1 276.424 2.082 20 0 CEADMP CC(C)[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000354648136 395336995 /nfs/dbraw/zinc/33/69/95/395336995.db2.gz LYIWDYBGUAMHSO-IRXDYDNUSA-N 2 1 276.424 2.082 20 0 CEADMP CCCCOCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000440695010 395343529 /nfs/dbraw/zinc/34/35/29/395343529.db2.gz PVVIBYHKYHYROX-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP CCCCOCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000440695010 395343531 /nfs/dbraw/zinc/34/35/31/395343531.db2.gz PVVIBYHKYHYROX-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP CCCCOCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000440695010 395343533 /nfs/dbraw/zinc/34/35/33/395343533.db2.gz PVVIBYHKYHYROX-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420358366 395344869 /nfs/dbraw/zinc/34/48/69/395344869.db2.gz IMQVKMAADJCQON-KFWWJZLASA-N 2 1 295.471 2.001 20 0 CEADMP CC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCN1CC(F)F ZINC000420361196 395347832 /nfs/dbraw/zinc/34/78/32/395347832.db2.gz MWZQEDDIWDNPDO-AWEZNQCLSA-N 2 1 289.414 2.037 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000354937652 395350607 /nfs/dbraw/zinc/35/06/07/395350607.db2.gz ISLBQILTOUEJRV-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000420365344 395352031 /nfs/dbraw/zinc/35/20/31/395352031.db2.gz PWIZGIKLOFWICU-CYBMUJFWSA-N 2 1 288.395 2.242 20 0 CEADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC000436049598 395403695 /nfs/dbraw/zinc/40/36/95/395403695.db2.gz HSUGKJJPEPRTSC-INIZCTEOSA-N 2 1 295.471 2.276 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000355326781 395412237 /nfs/dbraw/zinc/41/22/37/395412237.db2.gz DINVOYWTXCZCAG-RQJABVFESA-N 2 1 256.434 2.366 20 0 CEADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000355339548 395414915 /nfs/dbraw/zinc/41/49/15/395414915.db2.gz ZXSCIGBQJSURHS-KGLIPLIRSA-N 2 1 279.428 2.341 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc3cc[nH]c3c1)CCO2 ZINC000529613894 395421053 /nfs/dbraw/zinc/42/10/53/395421053.db2.gz KJKMEVXPZRIDOF-UHFFFAOYSA-N 2 1 299.418 2.465 20 0 CEADMP C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000566482676 395530177 /nfs/dbraw/zinc/53/01/77/395530177.db2.gz WBDMKAKHHBTSMC-OLMNPRSZSA-N 2 1 287.451 2.293 20 0 CEADMP C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000566482676 395530179 /nfs/dbraw/zinc/53/01/79/395530179.db2.gz WBDMKAKHHBTSMC-OLMNPRSZSA-N 2 1 287.451 2.293 20 0 CEADMP C[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851959 395536029 /nfs/dbraw/zinc/53/60/29/395536029.db2.gz BQCVIHBITBJHSU-KRWDZBQOSA-N 2 1 287.451 2.335 20 0 CEADMP [NH3+]CCC[N@@H+](CCOC[C@@H]1CCCO1)CC1CCCC1 ZINC000567889624 395539325 /nfs/dbraw/zinc/53/93/25/395539325.db2.gz DDXGIJSKPOYSEN-INIZCTEOSA-N 2 1 284.444 2.023 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCc1cccc2ccccc21 ZINC000565780309 395484277 /nfs/dbraw/zinc/48/42/77/395484277.db2.gz ZKHJXMAPMSWTPV-GOSISDBHSA-N 2 1 286.419 2.285 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC(CC)(CC)C2)CC1 ZINC000446735124 395497226 /nfs/dbraw/zinc/49/72/26/395497226.db2.gz AYMCWDVTRSHJNN-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP N[C@H]1C[C@@H]([NH2+]C2[C@@H]3CC[C@H]2CC([NH3+])C3)c2ccccc21 ZINC000566092361 395498503 /nfs/dbraw/zinc/49/85/03/395498503.db2.gz DCUGPDBKIUQJOY-WUULBAERSA-N 2 1 271.408 2.237 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000446817646 395499269 /nfs/dbraw/zinc/49/92/69/395499269.db2.gz JGOMKORLLHWDKB-BBWFWOEESA-N 2 1 276.424 2.009 20 0 CEADMP C[C@@H]1C[C@H]1[N@H+]1CCN(CCCc2c[nH+]cn2C)C[C@@H](C)C1 ZINC000568410280 395558788 /nfs/dbraw/zinc/55/87/88/395558788.db2.gz HJZTVCVCDJCLGW-BFYDXBDKSA-N 2 1 290.455 2.015 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC[C@@H](C)O ZINC000450856090 395579738 /nfs/dbraw/zinc/57/97/38/395579738.db2.gz NSWLLNXKRRIJSB-CQSZACIVSA-N 2 1 267.417 2.319 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC[C@@H](C)O ZINC000450856090 395579740 /nfs/dbraw/zinc/57/97/40/395579740.db2.gz NSWLLNXKRRIJSB-CQSZACIVSA-N 2 1 267.417 2.319 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](C)O)C2)s1 ZINC000574281655 395627195 /nfs/dbraw/zinc/62/71/95/395627195.db2.gz WIXWWGCYWDLNTO-JSGCOSHPSA-N 2 1 282.453 2.191 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](C)O)C2)s1 ZINC000574281655 395627196 /nfs/dbraw/zinc/62/71/96/395627196.db2.gz WIXWWGCYWDLNTO-JSGCOSHPSA-N 2 1 282.453 2.191 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](C)O)C2)s1 ZINC000574281655 395627197 /nfs/dbraw/zinc/62/71/97/395627197.db2.gz WIXWWGCYWDLNTO-JSGCOSHPSA-N 2 1 282.453 2.191 20 0 CEADMP CN(C)Cc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000574339670 395628482 /nfs/dbraw/zinc/62/84/82/395628482.db2.gz UYVACWZWZWLOQY-GJZGRUSLSA-N 2 1 279.403 2.247 20 0 CEADMP Cc1cnc(C)nc1NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000574770680 395637287 /nfs/dbraw/zinc/63/72/87/395637287.db2.gz KVOKSZGBVZUUAU-YPMHNXCESA-N 2 1 262.401 2.048 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCS[C@H](C)CC1 ZINC000494127324 395679408 /nfs/dbraw/zinc/67/94/08/395679408.db2.gz QJRUXNYEROHZEI-GFCCVEGCSA-N 2 1 253.415 2.409 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCS[C@H](C)CC1 ZINC000494127324 395679409 /nfs/dbraw/zinc/67/94/09/395679409.db2.gz QJRUXNYEROHZEI-GFCCVEGCSA-N 2 1 253.415 2.409 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)o1 ZINC000647508556 395723659 /nfs/dbraw/zinc/72/36/59/395723659.db2.gz RJOGJFZPNZRMBU-YPMHNXCESA-N 2 1 288.395 2.158 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)[C@H]2CCC[C@H]21 ZINC000647322294 395702785 /nfs/dbraw/zinc/70/27/85/395702785.db2.gz PTUCUPMRWDNWGW-IXDOHACOSA-N 2 1 274.408 2.141 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000647344602 395706876 /nfs/dbraw/zinc/70/68/76/395706876.db2.gz VINGWCLBHKNDBR-HPBDAGMYSA-N 2 1 288.435 2.346 20 0 CEADMP C[C@H](CCCCO)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343793 395707095 /nfs/dbraw/zinc/70/70/95/395707095.db2.gz CDSYHKVGJUPRIT-NXHRZFHOSA-N 2 1 290.451 2.473 20 0 CEADMP COCC(C)(C)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479287 395719847 /nfs/dbraw/zinc/71/98/47/395719847.db2.gz ANHWMMHPNBRWGN-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)nc1 ZINC000647498587 395722320 /nfs/dbraw/zinc/72/23/20/395722320.db2.gz KTYAAGZIEMFDIY-WFASDCNBSA-N 2 1 263.385 2.040 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)nc1 ZINC000647498587 395722322 /nfs/dbraw/zinc/72/23/22/395722322.db2.gz KTYAAGZIEMFDIY-WFASDCNBSA-N 2 1 263.385 2.040 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)CC[C@@H]1[NH3+] ZINC000647498335 395722357 /nfs/dbraw/zinc/72/23/57/395722357.db2.gz FNSWQSFQYOHFLD-DOMZBBRYSA-N 2 1 259.397 2.214 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cncn3)c(C)c2)CC[C@@H]1[NH3+] ZINC000647498488 395722381 /nfs/dbraw/zinc/72/23/81/395722381.db2.gz IQUNYWBZYKKKRS-CVEARBPZSA-N 2 1 299.422 2.135 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2cccnc2)CC[C@H]1[NH3+] ZINC000647498990 395722697 /nfs/dbraw/zinc/72/26/97/395722697.db2.gz WJLVSAPHXOSGFA-CZUORRHYSA-N 2 1 299.422 2.041 20 0 CEADMP CCOc1cc(C[NH+]2CCC(C)([NH3+])CC2)ccc1OC ZINC000647531761 395727554 /nfs/dbraw/zinc/72/75/54/395727554.db2.gz YWCJGOKHJKDRHC-UHFFFAOYSA-N 2 1 278.396 2.407 20 0 CEADMP C[C@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C(C)(C)C ZINC000647545496 395731396 /nfs/dbraw/zinc/73/13/96/395731396.db2.gz YAUVFHOAWTTXDZ-ZIAGYGMSSA-N 2 1 268.445 2.356 20 0 CEADMP c1nc2ccccn2c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545678 395731788 /nfs/dbraw/zinc/73/17/88/395731788.db2.gz CWEQMHNSAXYYIY-GJZGRUSLSA-N 2 1 284.407 2.156 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](c3cccnc3)C2)CC[NH2+]1 ZINC000647552734 395734407 /nfs/dbraw/zinc/73/44/07/395734407.db2.gz UICJERJUFPDXSZ-IJEWVQPXSA-N 2 1 259.397 2.259 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H](c1cccnc1)C(C)(C)CO ZINC000647952852 395782611 /nfs/dbraw/zinc/78/26/11/395782611.db2.gz OJEIAPZPHVLWGY-INIZCTEOSA-N 2 1 293.455 2.463 20 0 CEADMP C[N@@H+](CCC[NH3+])CCC(=O)Nc1ccc(Cl)cc1F ZINC000647849222 395763627 /nfs/dbraw/zinc/76/36/27/395763627.db2.gz LXMFVJPSIJTKPK-UHFFFAOYSA-N 2 1 287.766 2.088 20 0 CEADMP c1cc2c(cc[nH+]c2N2CC[NH+](Cc3cccnc3)CC2)[nH]1 ZINC000647852912 395763865 /nfs/dbraw/zinc/76/38/65/395763865.db2.gz XIFQKMQXPQKPBT-UHFFFAOYSA-N 2 1 293.374 2.280 20 0 CEADMP C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647870909 395766349 /nfs/dbraw/zinc/76/63/49/395766349.db2.gz MFIGZTJCQRWOPT-GFCCVEGCSA-N 2 1 270.323 2.329 20 0 CEADMP c1ccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H]2CCCO2)cc1 ZINC000647881595 395768279 /nfs/dbraw/zinc/76/82/79/395768279.db2.gz QROCVWYTFAUQEL-IAGOWNOFSA-N 2 1 274.408 2.277 20 0 CEADMP Cc1ccc(C(=O)C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000647881236 395768436 /nfs/dbraw/zinc/76/84/36/395768436.db2.gz XWXYQDNUYXFOIR-OAHLLOKOSA-N 2 1 286.419 2.499 20 0 CEADMP CCCNC(=O)[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647883518 395768893 /nfs/dbraw/zinc/76/88/93/395768893.db2.gz ZBYRRQNJXBTHRU-MRXNPFEDSA-N 2 1 295.471 2.004 20 0 CEADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647886688 395769092 /nfs/dbraw/zinc/76/90/92/395769092.db2.gz KGZGMXRPVNYPIM-UKRRQHHQSA-N 2 1 290.382 2.330 20 0 CEADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647886688 395769094 /nfs/dbraw/zinc/76/90/94/395769094.db2.gz KGZGMXRPVNYPIM-UKRRQHHQSA-N 2 1 290.382 2.330 20 0 CEADMP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@@H](C(F)(F)F)O1 ZINC000647889507 395769684 /nfs/dbraw/zinc/76/96/84/395769684.db2.gz ZCSQBNHAKNQGGN-YPMHNXCESA-N 2 1 294.361 2.418 20 0 CEADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H](C(F)(F)F)O1 ZINC000647889507 395769686 /nfs/dbraw/zinc/76/96/86/395769686.db2.gz ZCSQBNHAKNQGGN-YPMHNXCESA-N 2 1 294.361 2.418 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000647891463 395770186 /nfs/dbraw/zinc/77/01/86/395770186.db2.gz HQSDYFMLZXFXMO-JKSUJKDBSA-N 2 1 266.429 2.267 20 0 CEADMP COC[C@H](C)C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000648068335 395825267 /nfs/dbraw/zinc/82/52/67/395825267.db2.gz SFAGMEOIMYVSSF-OIISXLGYSA-N 2 1 276.424 2.204 20 0 CEADMP CC(C)c1noc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647976964 395793330 /nfs/dbraw/zinc/79/33/30/395793330.db2.gz WJJSELVPAFXHJC-UONOGXRCSA-N 2 1 292.427 2.405 20 0 CEADMP CCC[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647988817 395796490 /nfs/dbraw/zinc/79/64/90/395796490.db2.gz SENMVPMSWIOPGL-HNNXBMFYSA-N 2 1 254.418 2.267 20 0 CEADMP C[N@@H+](CCCC1CC[NH2+]CC1)CCc1nccs1 ZINC000647990420 395797247 /nfs/dbraw/zinc/79/72/47/395797247.db2.gz ZBFGZYRZPWQSMO-UHFFFAOYSA-N 2 1 267.442 2.397 20 0 CEADMP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc2ccccc21 ZINC000648385201 395898921 /nfs/dbraw/zinc/89/89/21/395898921.db2.gz KFSOGDPPQDJFGP-IYBDPMFKSA-N 2 1 282.387 2.500 20 0 CEADMP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc2ccccc21 ZINC000648385201 395898923 /nfs/dbraw/zinc/89/89/23/395898923.db2.gz KFSOGDPPQDJFGP-IYBDPMFKSA-N 2 1 282.387 2.500 20 0 CEADMP CCCN(CC[NH+](C)C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648770450 395979494 /nfs/dbraw/zinc/97/94/94/395979494.db2.gz GLIFFBPYBJJKMS-AWEZNQCLSA-N 2 1 294.443 2.197 20 0 CEADMP CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000648999921 396038645 /nfs/dbraw/zinc/03/86/45/396038645.db2.gz KHSWDNRCALFVDY-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000648871170 396006314 /nfs/dbraw/zinc/00/63/14/396006314.db2.gz QWCVDHCBVCTLMS-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000648871170 396006319 /nfs/dbraw/zinc/00/63/19/396006319.db2.gz QWCVDHCBVCTLMS-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000649413654 396147115 /nfs/dbraw/zinc/14/71/15/396147115.db2.gz WSURKBRTHYERBV-WBVHZDCISA-N 2 1 273.424 2.197 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000649414309 396148043 /nfs/dbraw/zinc/14/80/43/396148043.db2.gz SHTVIVLBUODNCK-GDBMZVCRSA-N 2 1 276.428 2.255 20 0 CEADMP CC[C@H]1C[N@@H+](CCN(C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000649416633 396149182 /nfs/dbraw/zinc/14/91/82/396149182.db2.gz GYERFTYBSKLLBC-HOCLYGCPSA-N 2 1 261.413 2.182 20 0 CEADMP CC[C@H]1C[N@@H+](CCN(C)c2ccccc2)CC[C@H]1[NH3+] ZINC000649416632 396149293 /nfs/dbraw/zinc/14/92/93/396149293.db2.gz GYERFTYBSKLLBC-GOEBONIOSA-N 2 1 261.413 2.182 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4c(O)cccc34)C[C@@H]21 ZINC000649457276 396158735 /nfs/dbraw/zinc/15/87/35/396158735.db2.gz IJIMELABMAKMKE-RISCZKNCSA-N 2 1 269.348 2.081 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CCO)c1ccccc1F ZINC000646069510 396282423 /nfs/dbraw/zinc/28/24/23/396282423.db2.gz FXYAYCBCMPPWOL-HNNXBMFYSA-N 2 1 277.343 2.044 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000646805508 396382456 /nfs/dbraw/zinc/38/24/56/396382456.db2.gz MPZSRJNHBHZFAR-BBRMVZONSA-N 2 1 289.423 2.197 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000647249298 396450297 /nfs/dbraw/zinc/45/02/97/396450297.db2.gz QDWHSAWESCYQAI-BGTYHANMSA-N 2 1 288.435 2.489 20 0 CEADMP Cc1cccc2nc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cn21 ZINC000647263165 396453603 /nfs/dbraw/zinc/45/36/03/396453603.db2.gz RFMSMGJCKLRWFX-WBVHZDCISA-N 2 1 298.434 2.402 20 0 CEADMP c1nc([C@H]2CCC[N@H+]([C@H]3CCOC3)C2)n2c1CCCC2 ZINC000334240657 400346542 /nfs/dbraw/zinc/34/65/42/400346542.db2.gz MIALLJQQSDQRBL-ZFWWWQNUSA-N 2 1 275.396 2.188 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000156463455 289196016 /nfs/dbraw/zinc/19/60/16/289196016.db2.gz BGQJYFYSMRFFLJ-IYXRBSQSSA-N 2 1 254.418 2.264 20 0 CEADMP CCC(CC)[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000359860868 155154054 /nfs/dbraw/zinc/15/40/54/155154054.db2.gz WOXSDLFXQMOKEX-KBMXLJTQSA-N 2 1 269.477 2.283 20 0 CEADMP Cc1ccncc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708086 400998344 /nfs/dbraw/zinc/99/83/44/400998344.db2.gz SWUGUTCASGXWOG-BHYGNILZSA-N 2 1 289.423 2.108 20 0 CEADMP CC1(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CCC1 ZINC000650708092 401000435 /nfs/dbraw/zinc/00/04/35/401000435.db2.gz SWUUQOIRWVCFDE-SOUVJXGZSA-N 2 1 266.429 2.395 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])n1 ZINC000650711068 401001771 /nfs/dbraw/zinc/00/17/71/401001771.db2.gz HNBUCWKORBDVPH-UKRRQHHQSA-N 2 1 277.412 2.430 20 0 CEADMP CCCc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)c1 ZINC000650714609 401004726 /nfs/dbraw/zinc/00/47/26/401004726.db2.gz SANUQSSHCFOKPW-IAGOWNOFSA-N 2 1 276.424 2.435 20 0 CEADMP Cc1cccnc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650722837 401011550 /nfs/dbraw/zinc/01/15/50/401011550.db2.gz CCDPFSUINRYSCJ-OIISXLGYSA-N 2 1 289.423 2.251 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2nccs2)C1 ZINC000650723049 401012134 /nfs/dbraw/zinc/01/21/34/401012134.db2.gz GVQZVTRUTGKELT-UPJWGTAASA-N 2 1 281.425 2.004 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2nccs2)C1 ZINC000650723049 401012140 /nfs/dbraw/zinc/01/21/40/401012140.db2.gz GVQZVTRUTGKELT-UPJWGTAASA-N 2 1 281.425 2.004 20 0 CEADMP [NH3+]Cc1ccc(C[NH2+]C2CCN(C3CC3)CC2)c(F)c1 ZINC000650755556 401032810 /nfs/dbraw/zinc/03/28/10/401032810.db2.gz HNJAPFWEBGNSSF-UHFFFAOYSA-N 2 1 277.387 2.001 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000650756214 401033505 /nfs/dbraw/zinc/03/35/05/401033505.db2.gz WQXMGYJCVQLEMZ-KURKYZTESA-N 3 1 287.451 2.368 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000650756214 401033513 /nfs/dbraw/zinc/03/35/13/401033513.db2.gz WQXMGYJCVQLEMZ-KURKYZTESA-N 2 1 287.451 2.368 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000650756214 401033520 /nfs/dbraw/zinc/03/35/20/401033520.db2.gz WQXMGYJCVQLEMZ-KURKYZTESA-N 2 1 287.451 2.368 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000650756214 401033527 /nfs/dbraw/zinc/03/35/27/401033527.db2.gz WQXMGYJCVQLEMZ-KURKYZTESA-N 2 1 287.451 2.368 20 0 CEADMP C1CC1[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000651928569 401416503 /nfs/dbraw/zinc/41/65/03/401416503.db2.gz LDYMKLNPDZXITQ-GVDBMIGSSA-N 2 1 278.440 2.408 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1cccc2c1CCC2 ZINC000651676588 401370458 /nfs/dbraw/zinc/37/04/58/401370458.db2.gz FULHSBWTRDLQSP-UHFFFAOYSA-N 2 1 276.424 2.233 20 0 CEADMP CC(C)C[N@@H+](C)CCCNCc1c[nH+]ccc1N(C)C ZINC000651865821 401405906 /nfs/dbraw/zinc/40/59/06/401405906.db2.gz IWNAOAJEQWHFCA-UHFFFAOYSA-N 2 1 278.444 2.215 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000652222854 401467159 /nfs/dbraw/zinc/46/71/59/401467159.db2.gz ZHPUOTGLCKHZLU-HUUCEWRRSA-N 2 1 255.450 2.037 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000652222854 401467163 /nfs/dbraw/zinc/46/71/63/401467163.db2.gz ZHPUOTGLCKHZLU-HUUCEWRRSA-N 2 1 255.450 2.037 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000652222854 401467165 /nfs/dbraw/zinc/46/71/65/401467165.db2.gz ZHPUOTGLCKHZLU-HUUCEWRRSA-N 2 1 255.450 2.037 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000652222855 401467312 /nfs/dbraw/zinc/46/73/12/401467312.db2.gz ZHPUOTGLCKHZLU-LSDHHAIUSA-N 2 1 255.450 2.037 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000652222855 401467317 /nfs/dbraw/zinc/46/73/17/401467317.db2.gz ZHPUOTGLCKHZLU-LSDHHAIUSA-N 2 1 255.450 2.037 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000652222855 401467318 /nfs/dbraw/zinc/46/73/18/401467318.db2.gz ZHPUOTGLCKHZLU-LSDHHAIUSA-N 2 1 255.450 2.037 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000360078243 155210400 /nfs/dbraw/zinc/21/04/00/155210400.db2.gz GCFQTVDPDTYJBK-MAUKXSAKSA-N 2 1 298.434 2.361 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000652522314 401536337 /nfs/dbraw/zinc/53/63/37/401536337.db2.gz CTCVDZHVXWDEBG-XHSDSOJGSA-N 2 1 297.487 2.342 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000652522314 401536340 /nfs/dbraw/zinc/53/63/40/401536340.db2.gz CTCVDZHVXWDEBG-XHSDSOJGSA-N 2 1 297.487 2.342 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000652522314 401536344 /nfs/dbraw/zinc/53/63/44/401536344.db2.gz CTCVDZHVXWDEBG-XHSDSOJGSA-N 2 1 297.487 2.342 20 0 CEADMP COc1ccc(C[C@@H]2CCCC[N@H+]2CCOCC[NH3+])cc1 ZINC000652358642 401493942 /nfs/dbraw/zinc/49/39/42/401493942.db2.gz ZIHNSZNEWBAKEX-INIZCTEOSA-N 2 1 292.423 2.068 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000360329375 155272051 /nfs/dbraw/zinc/27/20/51/155272051.db2.gz LXVRPESJJYDRIX-QKPAOTATSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000360329375 155272053 /nfs/dbraw/zinc/27/20/53/155272053.db2.gz LXVRPESJJYDRIX-QKPAOTATSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000360329375 155272055 /nfs/dbraw/zinc/27/20/55/155272055.db2.gz LXVRPESJJYDRIX-QKPAOTATSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000360329375 155272058 /nfs/dbraw/zinc/27/20/58/155272058.db2.gz LXVRPESJJYDRIX-QKPAOTATSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000360428731 155298595 /nfs/dbraw/zinc/29/85/95/155298595.db2.gz PAHZEUBVOQHXBF-XHDPSFHLSA-N 2 1 268.351 2.437 20 0 CEADMP FC(F)COCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000189425473 153095327 /nfs/dbraw/zinc/09/53/27/153095327.db2.gz HPCZDZDRUSMRLI-ZDUSSCGKSA-N 2 1 276.371 2.076 20 0 CEADMP FC(F)COCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000189425473 153095329 /nfs/dbraw/zinc/09/53/29/153095329.db2.gz HPCZDZDRUSMRLI-ZDUSSCGKSA-N 2 1 276.371 2.076 20 0 CEADMP CCC(=O)CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000190220862 153121867 /nfs/dbraw/zinc/12/18/67/153121867.db2.gz OFWHUTVSFPTZTK-UHFFFAOYSA-N 2 1 263.385 2.044 20 0 CEADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]CC3CC3)C2)cc1 ZINC000192357020 153207754 /nfs/dbraw/zinc/20/77/54/153207754.db2.gz BPYLEUVKLDTSDX-QGZVFWFLSA-N 2 1 274.408 2.277 20 0 CEADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]CC3CC3)C2)cc1 ZINC000192357020 153207761 /nfs/dbraw/zinc/20/77/61/153207761.db2.gz BPYLEUVKLDTSDX-QGZVFWFLSA-N 2 1 274.408 2.277 20 0 CEADMP CCC[C@H]1CN(c2cc[nH+]cc2C)CC[N@H+]1CCOC ZINC000192734170 153214590 /nfs/dbraw/zinc/21/45/90/153214590.db2.gz GMHKARHLDQZZOT-HNNXBMFYSA-N 2 1 277.412 2.327 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192890464 153223965 /nfs/dbraw/zinc/22/39/65/153223965.db2.gz UOEJLJSWXREIFR-UYTSQGDYSA-N 2 1 268.445 2.388 20 0 CEADMP C[C@@H](CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCC1 ZINC000193281333 153230532 /nfs/dbraw/zinc/23/05/32/153230532.db2.gz SLWUGMHHMTYACZ-XYTVBORESA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCCCC1 ZINC000193281333 153230535 /nfs/dbraw/zinc/23/05/35/153230535.db2.gz SLWUGMHHMTYACZ-XYTVBORESA-N 3 1 279.472 2.466 20 0 CEADMP C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCC1 ZINC000193281333 153230540 /nfs/dbraw/zinc/23/05/40/153230540.db2.gz SLWUGMHHMTYACZ-XYTVBORESA-N 3 1 279.472 2.466 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc2ncccc2c1 ZINC000216053792 153292279 /nfs/dbraw/zinc/29/22/79/153292279.db2.gz LWOGHNNPBCSDRX-GXTWGEPZSA-N 2 1 255.365 2.404 20 0 CEADMP C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C[NH+]1CCCC1 ZINC000250889044 153722151 /nfs/dbraw/zinc/72/21/51/153722151.db2.gz XDSSDRRZTAFLAQ-BRWVUGGUSA-N 3 1 279.472 2.373 20 0 CEADMP C[N@@H+](CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])C1CCCCC1 ZINC000262998558 154004377 /nfs/dbraw/zinc/00/43/77/154004377.db2.gz OLEZSGPWSUABBB-NVXWUHKLSA-N 2 1 295.471 2.275 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2csc3ccccc23)CCCO1 ZINC000313355928 154208394 /nfs/dbraw/zinc/20/83/94/154208394.db2.gz NZOWGZATMQZCHU-ZDUSSCGKSA-N 2 1 276.405 2.451 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2csc3ccccc23)CCCO1 ZINC000313355928 154208399 /nfs/dbraw/zinc/20/83/99/154208399.db2.gz NZOWGZATMQZCHU-ZDUSSCGKSA-N 2 1 276.405 2.451 20 0 CEADMP CCn1nc(C)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC000336403852 154252624 /nfs/dbraw/zinc/25/26/24/154252624.db2.gz IDBXBUMNGGHERH-MRXNPFEDSA-N 2 1 276.428 2.047 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC000336403852 154252626 /nfs/dbraw/zinc/25/26/26/154252626.db2.gz IDBXBUMNGGHERH-MRXNPFEDSA-N 2 1 276.428 2.047 20 0 CEADMP CCn1nc(C)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC000336403852 154252628 /nfs/dbraw/zinc/25/26/28/154252628.db2.gz IDBXBUMNGGHERH-MRXNPFEDSA-N 2 1 276.428 2.047 20 0 CEADMP CCn1nc(C)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC000336403852 154252630 /nfs/dbraw/zinc/25/26/30/154252630.db2.gz IDBXBUMNGGHERH-MRXNPFEDSA-N 2 1 276.428 2.047 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000346695144 154291178 /nfs/dbraw/zinc/29/11/78/154291178.db2.gz YNMZVLWRYSFYLN-HIFRSBDPSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000346695143 154291813 /nfs/dbraw/zinc/29/18/13/154291813.db2.gz YNMZVLWRYSFYLN-DZGCQCFKSA-N 2 1 270.380 2.041 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000357072415 154370591 /nfs/dbraw/zinc/37/05/91/154370591.db2.gz HGUIIUAXAPKPCA-HUUCEWRRSA-N 2 1 290.407 2.135 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000357072415 154370595 /nfs/dbraw/zinc/37/05/95/154370595.db2.gz HGUIIUAXAPKPCA-HUUCEWRRSA-N 2 1 290.407 2.135 20 0 CEADMP C[C@H]1C[N@@H+](CCOCC[NH3+])CC[C@@H]1c1ccccc1 ZINC000357078643 154372524 /nfs/dbraw/zinc/37/25/24/154372524.db2.gz LQYTVPWIASCYDC-HOCLYGCPSA-N 2 1 262.397 2.087 20 0 CEADMP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357071034 154373233 /nfs/dbraw/zinc/37/32/33/154373233.db2.gz GGMUUUWXBJGUMQ-FZMZJTMJSA-N 2 1 290.411 2.330 20 0 CEADMP C[C@H]1CC[N@@H+](CCOCC[NH3+])[C@@H]1c1cccc(F)c1 ZINC000357082446 154376990 /nfs/dbraw/zinc/37/69/90/154376990.db2.gz XAGSQHQOMYRKON-WFASDCNBSA-N 2 1 266.360 2.184 20 0 CEADMP Cc1cccc([C@@H]2CCC[N@H+]2CCOCC[NH3+])c1C ZINC000357102026 154377407 /nfs/dbraw/zinc/37/74/07/154377407.db2.gz HQVJJFQCTRZGFU-INIZCTEOSA-N 2 1 262.397 2.416 20 0 CEADMP CCc1ccc([C@@H](CO)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000359626263 155085962 /nfs/dbraw/zinc/08/59/62/155085962.db2.gz QXDHBLJDIBNLIY-MRXNPFEDSA-N 2 1 273.380 2.077 20 0 CEADMP Cc1cccn2c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cnc12 ZINC000363166991 156004935 /nfs/dbraw/zinc/00/49/35/156004935.db2.gz BMARGGMVLWCOLC-CABCVRRESA-N 2 1 284.407 2.359 20 0 CEADMP Cc1cccn2c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cnc12 ZINC000363166991 156004938 /nfs/dbraw/zinc/00/49/38/156004938.db2.gz BMARGGMVLWCOLC-CABCVRRESA-N 2 1 284.407 2.359 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363950788 156053822 /nfs/dbraw/zinc/05/38/22/156053822.db2.gz QYERMDFFPJDAEL-UNEWFSDZSA-N 2 1 289.423 2.462 20 0 CEADMP CCc1noc(C)c1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363950788 156053825 /nfs/dbraw/zinc/05/38/25/156053825.db2.gz QYERMDFFPJDAEL-UNEWFSDZSA-N 2 1 289.423 2.462 20 0 CEADMP CCc1noc(C)c1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363950788 156053827 /nfs/dbraw/zinc/05/38/27/156053827.db2.gz QYERMDFFPJDAEL-UNEWFSDZSA-N 2 1 289.423 2.462 20 0 CEADMP CCc1noc(C)c1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363950788 156053830 /nfs/dbraw/zinc/05/38/30/156053830.db2.gz QYERMDFFPJDAEL-UNEWFSDZSA-N 2 1 289.423 2.462 20 0 CEADMP CCOC(=O)CCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367210833 156148727 /nfs/dbraw/zinc/14/87/27/156148727.db2.gz HULLYCVKGBLEAK-YIONKMFJSA-N 2 1 282.428 2.277 20 0 CEADMP CCOC(=O)CCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367210833 156148717 /nfs/dbraw/zinc/14/87/17/156148717.db2.gz HULLYCVKGBLEAK-YIONKMFJSA-N 2 1 282.428 2.277 20 0 CEADMP CCOC(=O)CCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367210833 156148731 /nfs/dbraw/zinc/14/87/31/156148731.db2.gz HULLYCVKGBLEAK-YIONKMFJSA-N 2 1 282.428 2.277 20 0 CEADMP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000367611135 156214034 /nfs/dbraw/zinc/21/40/34/156214034.db2.gz AHOQDQYNSUVPPU-OAGGEKHMSA-N 2 1 288.439 2.110 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000367901910 156255593 /nfs/dbraw/zinc/25/55/93/156255593.db2.gz IDHPTXCOMZUMKS-CYBMUJFWSA-N 2 1 294.468 2.043 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368487477 156351862 /nfs/dbraw/zinc/35/18/62/156351862.db2.gz USZDGRQMTVAOTC-DLBZAZTESA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368487477 156351866 /nfs/dbraw/zinc/35/18/66/156351866.db2.gz USZDGRQMTVAOTC-DLBZAZTESA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368487477 156351870 /nfs/dbraw/zinc/35/18/70/156351870.db2.gz USZDGRQMTVAOTC-DLBZAZTESA-N 2 1 273.424 2.430 20 0 CEADMP COC[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374834400 157020959 /nfs/dbraw/zinc/02/09/59/157020959.db2.gz AARWYKHKCBYKSC-CQSZACIVSA-N 2 1 277.412 2.265 20 0 CEADMP C[C@H](c1cnccn1)N1CCC(c2c[nH]cn2)CC1 ZINC000375112141 157055590 /nfs/dbraw/zinc/05/55/90/157055590.db2.gz DSVHXEZAAMOJTJ-LLVKDONJSA-N 2 1 257.341 2.140 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2F)[C@@H]2CCC[C@@H]21 ZINC000375854827 157152663 /nfs/dbraw/zinc/15/26/63/157152663.db2.gz WQKNBYFQPIIKLG-HJWJTTGWSA-N 2 1 292.398 2.322 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000375901975 157158566 /nfs/dbraw/zinc/15/85/66/157158566.db2.gz DSWSSEKJNASAAC-QGZVFWFLSA-N 2 1 279.472 2.277 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)CC2CCCC2)CC1 ZINC000376097574 157185492 /nfs/dbraw/zinc/18/54/92/157185492.db2.gz SRPGLOFDSFOCNZ-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000168701972 162368376 /nfs/dbraw/zinc/36/83/76/162368376.db2.gz WFEWVHCTVCCWJC-UGUYLWEFSA-N 2 1 298.496 2.361 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000171921803 165055199 /nfs/dbraw/zinc/05/51/99/165055199.db2.gz VHGNMIMBDYDLJL-DLBZAZTESA-N 2 1 277.456 2.197 20 0 CEADMP CC(C)CCOCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177056877 165186316 /nfs/dbraw/zinc/18/63/16/165186316.db2.gz YEMGVLUNWCISCC-CABCVRRESA-N 2 1 256.434 2.464 20 0 CEADMP CC(C)CCOCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177056877 165186319 /nfs/dbraw/zinc/18/63/19/165186319.db2.gz YEMGVLUNWCISCC-CABCVRRESA-N 2 1 256.434 2.464 20 0 CEADMP CC(C)CCOCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177056877 165186322 /nfs/dbraw/zinc/18/63/22/165186322.db2.gz YEMGVLUNWCISCC-CABCVRRESA-N 2 1 256.434 2.464 20 0 CEADMP CC(C)CCOCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177056877 165186325 /nfs/dbraw/zinc/18/63/25/165186325.db2.gz YEMGVLUNWCISCC-CABCVRRESA-N 2 1 256.434 2.464 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000178845894 165259136 /nfs/dbraw/zinc/25/91/36/165259136.db2.gz QZECHADBYLSMPK-LRDDRELGSA-N 2 1 298.390 2.110 20 0 CEADMP c1ccc(CC[N@@H+](CC2CC[NH2+]CC2)[C@@H]2CCOC2)cc1 ZINC000178977194 165266422 /nfs/dbraw/zinc/26/64/22/165266422.db2.gz FEOQQQREFJKWAB-GOSISDBHSA-N 2 1 288.435 2.320 20 0 CEADMP CC[N@H+](CCCCn1cc[nH+]c1C)C[C@H]1CCCO1 ZINC000179247833 165274080 /nfs/dbraw/zinc/27/40/80/165274080.db2.gz KXHZAFRIBILKAJ-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C[C@H]1CCCO1 ZINC000179247833 165274081 /nfs/dbraw/zinc/27/40/81/165274081.db2.gz KXHZAFRIBILKAJ-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP CC(C)n1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000179448070 165279595 /nfs/dbraw/zinc/27/95/95/165279595.db2.gz OLSKFCBVVALGAP-UHFFFAOYSA-N 2 1 264.417 2.238 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2c3ccccc3NC2=O)CC[N@H+]1C ZINC000180394081 165310465 /nfs/dbraw/zinc/31/04/65/165310465.db2.gz QSAIBXGKKKHXKA-VNHYZAJKSA-N 2 1 287.407 2.185 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000181742164 165352066 /nfs/dbraw/zinc/35/20/66/165352066.db2.gz ALFBLICRXNPLIS-ZBFHGGJFSA-N 2 1 268.445 2.392 20 0 CEADMP c1ccc(C[NH+]2CCC([NH2+]CCc3cnccn3)CC2)cc1 ZINC000378427206 165649163 /nfs/dbraw/zinc/64/91/63/165649163.db2.gz ISWYSTLBBNYUCT-UHFFFAOYSA-N 2 1 296.418 2.273 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)[C@H](CC)CN1C(C)=O ZINC000414714616 287183115 /nfs/dbraw/zinc/18/31/15/287183115.db2.gz XRILSNGDOCFCPV-XLNGHYISSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CC[C@@H]1CCCCO1)CC[NH2+]CC2 ZINC000335281845 287237496 /nfs/dbraw/zinc/23/74/96/287237496.db2.gz ZTXUGNMZQBLLDX-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@H](c2ccco2)N(C)C)CC1 ZINC000020122107 171002290 /nfs/dbraw/zinc/00/22/90/171002290.db2.gz UVMATVTWPRQBCA-OAHLLOKOSA-N 2 1 279.428 2.346 20 0 CEADMP OCCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285464984 196292828 /nfs/dbraw/zinc/29/28/28/196292828.db2.gz HCYKDACLAZJPJJ-GOSISDBHSA-N 2 1 288.435 2.357 20 0 CEADMP OCCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285464984 196292830 /nfs/dbraw/zinc/29/28/30/196292830.db2.gz HCYKDACLAZJPJJ-GOSISDBHSA-N 2 1 288.435 2.357 20 0 CEADMP OCCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285464984 196292831 /nfs/dbraw/zinc/29/28/31/196292831.db2.gz HCYKDACLAZJPJJ-GOSISDBHSA-N 2 1 288.435 2.357 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000246239008 287273703 /nfs/dbraw/zinc/27/37/03/287273703.db2.gz IQPHITDTJJJJIS-HUUCEWRRSA-N 2 1 295.471 2.227 20 0 CEADMP OCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000285611623 196343314 /nfs/dbraw/zinc/34/33/14/196343314.db2.gz KGTJWSMDNJAASQ-FGTMMUONSA-N 2 1 288.435 2.259 20 0 CEADMP CC(C)[NH+](CC[NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000037208904 173030722 /nfs/dbraw/zinc/03/07/22/173030722.db2.gz ZCOZIUQJFIYOTF-OAHLLOKOSA-N 3 1 269.477 2.425 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](C[NH2+]C)C2)CCO1 ZINC000347017088 287282117 /nfs/dbraw/zinc/28/21/17/287282117.db2.gz DGVPFEHVZDCGKL-RRFJBIMHSA-N 2 1 254.418 2.123 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2c(C)nc3ccccn32)CC1 ZINC000038098125 174113781 /nfs/dbraw/zinc/11/37/81/174113781.db2.gz BHZQDVWILHIOGK-UHFFFAOYSA-N 2 1 272.396 2.217 20 0 CEADMP Cc1ccc(OC[C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000040496133 174295186 /nfs/dbraw/zinc/29/51/86/174295186.db2.gz ILBFPLBIDMEWPH-AWEZNQCLSA-N 2 1 262.397 2.446 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)ccc2OC)C1 ZINC000040600578 174351093 /nfs/dbraw/zinc/35/10/93/174351093.db2.gz JFILJIMXMPIBDE-CQSZACIVSA-N 2 1 262.397 2.435 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)ccc2OC)C1 ZINC000040600578 174351094 /nfs/dbraw/zinc/35/10/94/174351094.db2.gz JFILJIMXMPIBDE-CQSZACIVSA-N 2 1 262.397 2.435 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H](C)c1ccco1)N1CC[NH+](C)CC1 ZINC000040770122 174399864 /nfs/dbraw/zinc/39/98/64/174399864.db2.gz YSRSFVVMPFKRIR-GJZGRUSLSA-N 2 1 279.428 2.202 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](CC)CO1 ZINC000403778239 414767900 /nfs/dbraw/zinc/76/79/00/414767900.db2.gz FQBSNBQNJWTUGP-KBUPBQIOSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404370601 414781172 /nfs/dbraw/zinc/78/11/72/414781172.db2.gz QWIDXXHOQHIRPQ-FXUDXRNXSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404370601 414781176 /nfs/dbraw/zinc/78/11/76/414781176.db2.gz QWIDXXHOQHIRPQ-FXUDXRNXSA-N 2 1 295.471 2.131 20 0 CEADMP Cc1[nH+]cc(CNCC[N@@H+](C)C2CCCCC2)n1C ZINC000657331773 414864380 /nfs/dbraw/zinc/86/43/80/414864380.db2.gz OYPARSVNVKGQSH-UHFFFAOYSA-N 2 1 264.417 2.083 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2)C[C@H]1C[NH3+] ZINC000405669392 414796866 /nfs/dbraw/zinc/79/68/66/414796866.db2.gz JTHROONRXQXUID-HZPDHXFCSA-N 2 1 262.397 2.099 20 0 CEADMP C[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)O1 ZINC000129381305 414811792 /nfs/dbraw/zinc/81/17/92/414811792.db2.gz MFHQBEJLYFMSHF-APIJFGDWSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)O1 ZINC000129381305 414811794 /nfs/dbraw/zinc/81/17/94/414811794.db2.gz MFHQBEJLYFMSHF-APIJFGDWSA-N 2 1 252.402 2.160 20 0 CEADMP C1=CCC(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)C1 ZINC000660472082 414839250 /nfs/dbraw/zinc/83/92/50/414839250.db2.gz CAJSBKPXJGBRET-INIZCTEOSA-N 2 1 264.413 2.139 20 0 CEADMP Cc1[nH+]cc(CNCC[N@H+](C)C2CCCCC2)n1C ZINC000657331773 414864377 /nfs/dbraw/zinc/86/43/77/414864377.db2.gz OYPARSVNVKGQSH-UHFFFAOYSA-N 2 1 264.417 2.083 20 0 CEADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccccc1)C2 ZINC000660653341 414917617 /nfs/dbraw/zinc/91/76/17/414917617.db2.gz BFXCUNWNCLMLOC-QGZVFWFLSA-N 2 1 274.408 2.483 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccccc1)C2 ZINC000660653341 414917620 /nfs/dbraw/zinc/91/76/20/414917620.db2.gz BFXCUNWNCLMLOC-QGZVFWFLSA-N 2 1 274.408 2.483 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000660653341 414917624 /nfs/dbraw/zinc/91/76/24/414917624.db2.gz BFXCUNWNCLMLOC-QGZVFWFLSA-N 2 1 274.408 2.483 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000660653341 414917627 /nfs/dbraw/zinc/91/76/27/414917627.db2.gz BFXCUNWNCLMLOC-QGZVFWFLSA-N 2 1 274.408 2.483 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cn3ccccc3n1)C2 ZINC000660656447 414919730 /nfs/dbraw/zinc/91/97/30/414919730.db2.gz SAYCWVBYVTZQJQ-QGZVFWFLSA-N 2 1 284.407 2.252 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc3c[nH]nc3c1)C2 ZINC000660663083 414926136 /nfs/dbraw/zinc/92/61/36/414926136.db2.gz NBVCCFICOFXSJM-KRWDZBQOSA-N 2 1 284.407 2.481 20 0 CEADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3c[nH]nc3c1)C2 ZINC000660663083 414926143 /nfs/dbraw/zinc/92/61/43/414926143.db2.gz NBVCCFICOFXSJM-KRWDZBQOSA-N 2 1 284.407 2.481 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3c[nH]nc3c1)C2 ZINC000660663083 414926147 /nfs/dbraw/zinc/92/61/47/414926147.db2.gz NBVCCFICOFXSJM-KRWDZBQOSA-N 2 1 284.407 2.481 20 0 CEADMP C[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000663368294 414931592 /nfs/dbraw/zinc/93/15/92/414931592.db2.gz CWQWXVFGPRKTGY-DOTOQJQBSA-N 2 1 288.435 2.259 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000653176344 414937940 /nfs/dbraw/zinc/93/79/40/414937940.db2.gz QWZMTIGDCNPISQ-UHFFFAOYSA-N 2 1 297.487 2.380 20 0 CEADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCCCF)CC1 ZINC000660698607 414939409 /nfs/dbraw/zinc/93/94/09/414939409.db2.gz RRSCDSVJSIVZFT-UHFFFAOYSA-N 2 1 274.424 2.199 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000663495243 414969992 /nfs/dbraw/zinc/96/99/92/414969992.db2.gz WICLTZDQPNRORZ-NVXWUHKLSA-N 3 1 275.440 2.083 20 0 CEADMP CC(C)[C@H]([NH3+])CCN[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000663503396 414974076 /nfs/dbraw/zinc/97/40/76/414974076.db2.gz RAOKRZSOPBZEEX-CGTJXYLNSA-N 2 1 289.467 2.470 20 0 CEADMP CC(C)[C@H]([NH3+])CCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000663503396 414974081 /nfs/dbraw/zinc/97/40/81/414974081.db2.gz RAOKRZSOPBZEEX-CGTJXYLNSA-N 2 1 289.467 2.470 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000663512124 414980169 /nfs/dbraw/zinc/98/01/69/414980169.db2.gz FMIWFPXBCNHWNQ-OLZOCXBDSA-N 2 1 250.386 2.214 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](NCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657563321 415002208 /nfs/dbraw/zinc/00/22/08/415002208.db2.gz LVTGIUVTZHUGGF-AWEZNQCLSA-N 2 1 299.422 2.230 20 0 CEADMP CO[C@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)C1CCC1 ZINC000660761895 414963453 /nfs/dbraw/zinc/96/34/53/414963453.db2.gz HRZWUYGPYHPTTB-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000653604571 415051634 /nfs/dbraw/zinc/05/16/34/415051634.db2.gz STMKMPUPFJHGJJ-GOEBONIOSA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000653604571 415051635 /nfs/dbraw/zinc/05/16/35/415051635.db2.gz STMKMPUPFJHGJJ-GOEBONIOSA-N 2 1 264.413 2.267 20 0 CEADMP COCC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccco1 ZINC000653613966 415053803 /nfs/dbraw/zinc/05/38/03/415053803.db2.gz HVDAKZPLSKXEBM-CQSZACIVSA-N 2 1 277.368 2.313 20 0 CEADMP Cc1ccncc1[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000653612228 415054391 /nfs/dbraw/zinc/05/43/91/415054391.db2.gz DYXWOWKDAVPISD-ZDUSSCGKSA-N 2 1 258.369 2.407 20 0 CEADMP c1ccc(CN2CC[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000657805652 415084871 /nfs/dbraw/zinc/08/48/71/415084871.db2.gz DXKLFCFQNLJYIO-CEXWTWQISA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[NH+]2CC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000657805652 415084875 /nfs/dbraw/zinc/08/48/75/415084875.db2.gz DXKLFCFQNLJYIO-CEXWTWQISA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[NH+]2CC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000657805652 415084881 /nfs/dbraw/zinc/08/48/81/415084881.db2.gz DXKLFCFQNLJYIO-CEXWTWQISA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H]2CN[C@@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000657805652 415084887 /nfs/dbraw/zinc/08/48/87/415084887.db2.gz DXKLFCFQNLJYIO-CEXWTWQISA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@@H]2CN[C@@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000657805652 415084891 /nfs/dbraw/zinc/08/48/91/415084891.db2.gz DXKLFCFQNLJYIO-CEXWTWQISA-N 2 1 299.462 2.477 20 0 CEADMP c1cc2n(n1)CCC[C@@H]2[NH2+]CCC[NH+]1CCCCC1 ZINC000657823487 415094523 /nfs/dbraw/zinc/09/45/23/415094523.db2.gz HQWYSJXAZLSQOG-AWEZNQCLSA-N 2 1 262.401 2.184 20 0 CEADMP CO[C@@H](C)C[N@H+](CCCc1c[nH+]cn1C)C(C)C ZINC000653558756 415033838 /nfs/dbraw/zinc/03/38/38/415033838.db2.gz SVHLXZUOUJFFES-ZDUSSCGKSA-N 2 1 253.390 2.098 20 0 CEADMP CO[C@@H](C)C[N@@H+](CCCc1c[nH+]cn1C)C(C)C ZINC000653558756 415033841 /nfs/dbraw/zinc/03/38/41/415033841.db2.gz SVHLXZUOUJFFES-ZDUSSCGKSA-N 2 1 253.390 2.098 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C2CCCC2)CC1 ZINC000653560225 415035380 /nfs/dbraw/zinc/03/53/80/415035380.db2.gz JTXDGKPQOLUZGZ-INIZCTEOSA-N 2 1 268.445 2.201 20 0 CEADMP Fc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000657675610 415045295 /nfs/dbraw/zinc/04/52/95/415045295.db2.gz XYDVZKGEDRPTTK-OAGGEKHMSA-N 2 1 290.382 2.346 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000653780041 415103426 /nfs/dbraw/zinc/10/34/26/415103426.db2.gz QTDTVTMVDRRDEN-LBPRGKRZSA-N 2 1 255.312 2.084 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000653780041 415103431 /nfs/dbraw/zinc/10/34/31/415103431.db2.gz QTDTVTMVDRRDEN-LBPRGKRZSA-N 2 1 255.312 2.084 20 0 CEADMP CCOC1CCC([NH2+]C2CC[NH+](CCOC)CC2)CC1 ZINC000657848860 415105887 /nfs/dbraw/zinc/10/58/87/415105887.db2.gz BYCBLVUQZMUGTN-UHFFFAOYSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000657973826 415142169 /nfs/dbraw/zinc/14/21/69/415142169.db2.gz JHLARFFCPREKCI-IAQYHMDHSA-N 2 1 291.420 2.014 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000658062947 415184301 /nfs/dbraw/zinc/18/43/01/415184301.db2.gz TYIAGTPTJSOLTQ-OAHLLOKOSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1CNc1cc(NC2CC2)ncn1 ZINC000664138608 415188239 /nfs/dbraw/zinc/18/82/39/415188239.db2.gz HRZQDAMTZSGBBM-LBPRGKRZSA-N 2 1 275.400 2.336 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000044527845 175192782 /nfs/dbraw/zinc/19/27/82/175192782.db2.gz RRNFJGQKNGCMOS-CQSZACIVSA-N 2 1 270.380 2.043 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000044527845 175192783 /nfs/dbraw/zinc/19/27/83/175192783.db2.gz RRNFJGQKNGCMOS-CQSZACIVSA-N 2 1 270.380 2.043 20 0 CEADMP CC[NH+](CC)C[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000045692307 175382814 /nfs/dbraw/zinc/38/28/14/175382814.db2.gz CIDHYRBOTYHGQD-ZQDZILKHSA-N 2 1 255.450 2.035 20 0 CEADMP Cc1cc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)nc(C2CC2)n1 ZINC000664245807 415243628 /nfs/dbraw/zinc/24/36/28/415243628.db2.gz XYPSSIKWONNQFQ-STQMWFEESA-N 2 1 290.411 2.184 20 0 CEADMP Cc1cc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)nc(C2CC2)n1 ZINC000664245807 415243637 /nfs/dbraw/zinc/24/36/37/415243637.db2.gz XYPSSIKWONNQFQ-STQMWFEESA-N 2 1 290.411 2.184 20 0 CEADMP C[C@]1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1(F)F ZINC000658222508 415262472 /nfs/dbraw/zinc/26/24/72/415262472.db2.gz OUIZTHWCMDDCLP-ZIAGYGMSSA-N 2 1 288.382 2.265 20 0 CEADMP CC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658146964 415231550 /nfs/dbraw/zinc/23/15/50/415231550.db2.gz WTPXIAUJOLEDSJ-CJNGLKHVSA-N 2 1 262.397 2.141 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000661498967 415292206 /nfs/dbraw/zinc/29/22/06/415292206.db2.gz NONKPXKDPLBGIB-GDBMZVCRSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000661498967 415292209 /nfs/dbraw/zinc/29/22/09/415292209.db2.gz NONKPXKDPLBGIB-GDBMZVCRSA-N 2 1 279.428 2.455 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOC2(C)C)[C@@H](C)C1 ZINC000658328293 415319073 /nfs/dbraw/zinc/31/90/73/415319073.db2.gz AFWXNNLMCZGLST-MJBXVCDLSA-N 2 1 254.418 2.121 20 0 CEADMP Fc1cccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655698825 415394966 /nfs/dbraw/zinc/39/49/66/415394966.db2.gz WZURHCGHLNLMNQ-QGZVFWFLSA-N 2 1 292.398 2.211 20 0 CEADMP CO[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)C ZINC000655718948 415408467 /nfs/dbraw/zinc/40/84/67/415408467.db2.gz QUIHBYACDNYHCV-CVEARBPZSA-N 2 1 298.471 2.281 20 0 CEADMP Cc1cc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000664632899 415430356 /nfs/dbraw/zinc/43/03/56/415430356.db2.gz WWDKHVSQDYETHH-KRWDZBQOSA-N 2 1 267.376 2.498 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661624180 415364844 /nfs/dbraw/zinc/36/48/44/415364844.db2.gz DWCWUSJTGAKOQM-INIZCTEOSA-N 2 1 277.412 2.209 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661624180 415364850 /nfs/dbraw/zinc/36/48/50/415364850.db2.gz DWCWUSJTGAKOQM-INIZCTEOSA-N 2 1 277.412 2.209 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CS1 ZINC000655687979 415387387 /nfs/dbraw/zinc/38/73/87/415387387.db2.gz FBDYFYDRJYLVGF-AGIUHOORSA-N 2 1 254.443 2.344 20 0 CEADMP C(COCC1CCC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655754546 415439206 /nfs/dbraw/zinc/43/92/06/415439206.db2.gz CPWLRNFAQMRWBP-QGZVFWFLSA-N 2 1 296.455 2.036 20 0 CEADMP FC1(F)CC[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655764724 415444418 /nfs/dbraw/zinc/44/44/18/415444418.db2.gz PYYFSFQKCLSQJN-TZMCWYRMSA-N 2 1 288.382 2.265 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000655776313 415455884 /nfs/dbraw/zinc/45/58/84/415455884.db2.gz FVNLBFREMLXCNW-ZACQAIPSSA-N 2 1 296.455 2.177 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H](O)C(C)C ZINC000655776872 415457854 /nfs/dbraw/zinc/45/78/54/415457854.db2.gz PTLQMKKLLSEAND-ULQDDVLXSA-N 2 1 298.471 2.015 20 0 CEADMP CCC[C@H](C)[C@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655792545 415472280 /nfs/dbraw/zinc/47/22/80/415472280.db2.gz LAMQQLALSSCXCQ-UAGQMJEPSA-N 2 1 298.471 2.017 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000655844900 415514637 /nfs/dbraw/zinc/51/46/37/415514637.db2.gz ZNEFAINOWZDOPD-CYBMUJFWSA-N 2 1 270.380 2.263 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCc3noc4ccccc43)C[C@H]12 ZINC000655938619 415559167 /nfs/dbraw/zinc/55/91/67/415559167.db2.gz ZEFUBWWQYYHVGM-FPMFFAJLSA-N 2 1 271.364 2.039 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCc2noc3ccccc32)C1 ZINC000655938902 415560433 /nfs/dbraw/zinc/56/04/33/415560433.db2.gz HPXUGXRWXHCTSE-HNNXBMFYSA-N 2 1 259.353 2.041 20 0 CEADMP COc1ccc2c(c1)C[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC000656193591 415626449 /nfs/dbraw/zinc/62/64/49/415626449.db2.gz NZBKLAPHAVPZID-CHWSQXEVSA-N 2 1 260.381 2.399 20 0 CEADMP COc1cccc2c1OCC[C@@H]2[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000656194597 415628840 /nfs/dbraw/zinc/62/88/40/415628840.db2.gz MAXVCUAYNZHBDP-XJKSGUPXSA-N 2 1 276.380 2.108 20 0 CEADMP CCc1cc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc[nH+]1 ZINC000656225979 415651331 /nfs/dbraw/zinc/65/13/31/415651331.db2.gz KCCOTHJLOYPYGI-JKSUJKDBSA-N 2 1 259.397 2.495 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cn1 ZINC000665248952 415649106 /nfs/dbraw/zinc/64/91/06/415649106.db2.gz GMJVQGCTKNCTDM-LBPRGKRZSA-N 2 1 250.390 2.386 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC(c2ccon2)CC1 ZINC000662048542 415599303 /nfs/dbraw/zinc/59/93/03/415599303.db2.gz ZBDGUBCAKNDNQT-CQSZACIVSA-N 2 1 263.385 2.338 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccon2)CC1 ZINC000662048542 415599309 /nfs/dbraw/zinc/59/93/09/415599309.db2.gz ZBDGUBCAKNDNQT-CQSZACIVSA-N 2 1 263.385 2.338 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccon2)CC1 ZINC000662048542 415599313 /nfs/dbraw/zinc/59/93/13/415599313.db2.gz ZBDGUBCAKNDNQT-CQSZACIVSA-N 2 1 263.385 2.338 20 0 CEADMP Cc1ccc(F)c(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662147902 415656889 /nfs/dbraw/zinc/65/68/89/415656889.db2.gz IRGKPSGQWWDFMI-INIZCTEOSA-N 2 1 292.398 2.165 20 0 CEADMP Cc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1C ZINC000662152706 415657521 /nfs/dbraw/zinc/65/75/21/415657521.db2.gz YBKOTMOHDNMVJG-GOSISDBHSA-N 2 1 288.435 2.334 20 0 CEADMP Cc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1C ZINC000662152706 415657527 /nfs/dbraw/zinc/65/75/27/415657527.db2.gz YBKOTMOHDNMVJG-GOSISDBHSA-N 2 1 288.435 2.334 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665267004 415662223 /nfs/dbraw/zinc/66/22/23/415662223.db2.gz NTFRYZUBVKKQRW-BFYDXBDKSA-N 2 1 279.472 2.371 20 0 CEADMP C[NH2+]C[C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000665297951 415685380 /nfs/dbraw/zinc/68/53/80/415685380.db2.gz OYYORGZTWOYXSX-OWLYRPNTSA-N 2 1 287.451 2.380 20 0 CEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000665297363 415686063 /nfs/dbraw/zinc/68/60/63/415686063.db2.gz DRPFMJRLDNYMJD-CZPYZCIJSA-N 2 1 262.397 2.385 20 0 CEADMP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000656417089 415690499 /nfs/dbraw/zinc/69/04/99/415690499.db2.gz RNVDCFYYKOWHBL-AFAVFJNCSA-N 2 1 256.393 2.388 20 0 CEADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[C@H]1C1CCCC1 ZINC000662253176 415716874 /nfs/dbraw/zinc/71/68/74/415716874.db2.gz SIJCZFMUUHZHDF-CABCVRRESA-N 2 1 264.413 2.162 20 0 CEADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CCC[NH+](C)C1 ZINC000662261010 415729291 /nfs/dbraw/zinc/72/92/91/415729291.db2.gz SPAMAYIFYYHLMN-OAHLLOKOSA-N 3 1 287.451 2.106 20 0 CEADMP C[NH+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CCC[N@H+](C)C1 ZINC000662261010 415729296 /nfs/dbraw/zinc/72/92/96/415729296.db2.gz SPAMAYIFYYHLMN-OAHLLOKOSA-N 3 1 287.451 2.106 20 0 CEADMP C[NH+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000662261010 415729301 /nfs/dbraw/zinc/72/93/01/415729301.db2.gz SPAMAYIFYYHLMN-OAHLLOKOSA-N 3 1 287.451 2.106 20 0 CEADMP CN(Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CCC[N@H+](C)C1 ZINC000662261010 415729306 /nfs/dbraw/zinc/72/93/06/415729306.db2.gz SPAMAYIFYYHLMN-OAHLLOKOSA-N 2 1 287.451 2.106 20 0 CEADMP CN(Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000662261010 415729310 /nfs/dbraw/zinc/72/93/10/415729310.db2.gz SPAMAYIFYYHLMN-OAHLLOKOSA-N 2 1 287.451 2.106 20 0 CEADMP CN1CCC[C@@H](C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662261010 415729313 /nfs/dbraw/zinc/72/93/13/415729313.db2.gz SPAMAYIFYYHLMN-OAHLLOKOSA-N 2 1 287.451 2.106 20 0 CEADMP CN1CCC[C@@H](C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662261010 415729318 /nfs/dbraw/zinc/72/93/18/415729318.db2.gz SPAMAYIFYYHLMN-OAHLLOKOSA-N 2 1 287.451 2.106 20 0 CEADMP COc1cccc(SCC[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000662236616 415702518 /nfs/dbraw/zinc/70/25/18/415702518.db2.gz FZJYGMPNPWPTRA-UHFFFAOYSA-N 2 1 280.437 2.471 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC[C@H]2CCc3ccccc32)CCO1 ZINC000662247275 415706952 /nfs/dbraw/zinc/70/69/52/415706952.db2.gz DTDCGJBSISLFRS-YSVLISHTSA-N 2 1 274.408 2.155 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)CCO1 ZINC000662247275 415706956 /nfs/dbraw/zinc/70/69/56/415706956.db2.gz DTDCGJBSISLFRS-YSVLISHTSA-N 2 1 274.408 2.155 20 0 CEADMP C[C@H]1C[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@@H]1[NH3+] ZINC000662244392 415707186 /nfs/dbraw/zinc/70/71/86/415707186.db2.gz NSVUKLAUNBGBQE-JQWIXIFHSA-N 2 1 298.333 2.220 20 0 CEADMP COc1ccc([C@H](C)[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249514 415710321 /nfs/dbraw/zinc/71/03/21/415710321.db2.gz WAOHRHSXKYLOGI-BBRMVZONSA-N 2 1 290.407 2.209 20 0 CEADMP CC(C)OC1CC([N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000656504314 415742091 /nfs/dbraw/zinc/74/20/91/415742091.db2.gz ZTDQRDUDWNXGQY-WLYUNCDWSA-N 2 1 277.412 2.333 20 0 CEADMP CC(C)OC1CC([N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000656504314 415742099 /nfs/dbraw/zinc/74/20/99/415742099.db2.gz ZTDQRDUDWNXGQY-WLYUNCDWSA-N 2 1 277.412 2.333 20 0 CEADMP CO[C@@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)c1ccccc1 ZINC000662276865 415745172 /nfs/dbraw/zinc/74/51/72/415745172.db2.gz MEEWQCLKPIHNSJ-UONOGXRCSA-N 2 1 250.386 2.337 20 0 CEADMP C[N@@H+](Cc1cc(Cl)ccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662280285 415745541 /nfs/dbraw/zinc/74/55/41/415745541.db2.gz NQXKZCSPHDDFDW-ZDUSSCGKSA-N 2 1 298.789 2.432 20 0 CEADMP C[N@H+](Cc1cc(Cl)ccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662280285 415745548 /nfs/dbraw/zinc/74/55/48/415745548.db2.gz NQXKZCSPHDDFDW-ZDUSSCGKSA-N 2 1 298.789 2.432 20 0 CEADMP CC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000071905403 176296062 /nfs/dbraw/zinc/29/60/62/176296062.db2.gz BKPORFLQZCBMKX-HRCADAONSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000071905403 176296064 /nfs/dbraw/zinc/29/60/64/176296064.db2.gz BKPORFLQZCBMKX-HRCADAONSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000071905403 176296067 /nfs/dbraw/zinc/29/60/67/176296067.db2.gz BKPORFLQZCBMKX-HRCADAONSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@@H](CO)[C@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000662301281 415764410 /nfs/dbraw/zinc/76/44/10/415764410.db2.gz QOTNIRKDJWMQSF-GOEBONIOSA-N 2 1 268.445 2.249 20 0 CEADMP C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000662303058 415766496 /nfs/dbraw/zinc/76/64/96/415766496.db2.gz RDXINUZHKGALKT-HDICACEKSA-N 2 1 286.419 2.191 20 0 CEADMP Cn1c[nH+]cc1CCCN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000662306453 415769168 /nfs/dbraw/zinc/76/91/68/415769168.db2.gz ZYKGWOKWXVGWBI-OAHLLOKOSA-N 2 1 284.407 2.133 20 0 CEADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000662315782 415773965 /nfs/dbraw/zinc/77/39/65/415773965.db2.gz HGGSUYAQOFVXFT-NVXWUHKLSA-N 2 1 273.424 2.197 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662285756 415751814 /nfs/dbraw/zinc/75/18/14/415751814.db2.gz MYHYLRFHUQQSRX-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP OCC1([NH2+]Cc2cccc3ccccc32)CC[NH2+]CC1 ZINC000662285950 415753387 /nfs/dbraw/zinc/75/33/87/415753387.db2.gz BULVLPPEGZPMRN-UHFFFAOYSA-N 2 1 270.376 2.044 20 0 CEADMP CCc1nnc([C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)[nH]1 ZINC000659878393 415754794 /nfs/dbraw/zinc/75/47/94/415754794.db2.gz ZQPKLPBCPYGPNH-ZDUSSCGKSA-N 2 1 293.459 2.480 20 0 CEADMP CCc1nnc([C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)[nH]1 ZINC000659878393 415754799 /nfs/dbraw/zinc/75/47/99/415754799.db2.gz ZQPKLPBCPYGPNH-ZDUSSCGKSA-N 2 1 293.459 2.480 20 0 CEADMP FC1(F)C[C@H]1OCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292698 415756964 /nfs/dbraw/zinc/75/69/64/415756964.db2.gz HRPPXTANPYCCMC-ZIAGYGMSSA-N 2 1 288.382 2.122 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC000659989829 415831820 /nfs/dbraw/zinc/83/18/20/415831820.db2.gz UNJPQIGDPFKSIY-LBPRGKRZSA-N 2 1 263.385 2.326 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000662317976 415778404 /nfs/dbraw/zinc/77/84/04/415778404.db2.gz VFARDJXVCNFUAG-MRXNPFEDSA-N 2 1 262.397 2.229 20 0 CEADMP CCC(CC)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325485 415780982 /nfs/dbraw/zinc/78/09/82/415780982.db2.gz HDEGSUNKMKKOLX-HNNXBMFYSA-N 2 1 256.434 2.465 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@@H](CC(F)(F)F)O1 ZINC000662325941 415781419 /nfs/dbraw/zinc/78/14/19/415781419.db2.gz LWSJMDOXLMOURC-IJLUTSLNSA-N 2 1 280.334 2.028 20 0 CEADMP Cc1cc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000656608818 415784394 /nfs/dbraw/zinc/78/43/94/415784394.db2.gz MWBJPJNYWWYBGM-OAHLLOKOSA-N 2 1 274.412 2.309 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000659924084 415785065 /nfs/dbraw/zinc/78/50/65/415785065.db2.gz BFYDGMYJGAYZGN-INIZCTEOSA-N 2 1 262.397 2.087 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC000659924084 415785069 /nfs/dbraw/zinc/78/50/69/415785069.db2.gz BFYDGMYJGAYZGN-INIZCTEOSA-N 2 1 262.397 2.087 20 0 CEADMP O[C@@]1(C(F)(F)F)CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000656630567 415789946 /nfs/dbraw/zinc/78/99/46/415789946.db2.gz YMGNGTZPWGVOQB-YPMHNXCESA-N 2 1 292.345 2.049 20 0 CEADMP CC[C@H](CC(F)F)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000659931484 415791965 /nfs/dbraw/zinc/79/19/65/415791965.db2.gz PPEJNWRIQYNVEV-CYBMUJFWSA-N 2 1 292.414 2.446 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH2+]C(C)C)C1 ZINC000662454255 415850639 /nfs/dbraw/zinc/85/06/39/415850639.db2.gz MCXPDOVBWXIXTR-AWEZNQCLSA-N 2 1 283.460 2.001 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CCC1 ZINC000659947194 415799936 /nfs/dbraw/zinc/79/99/36/415799936.db2.gz JVCMBWZSFWHABY-HOCLYGCPSA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C2CCCC1CCC2 ZINC000659957542 415806176 /nfs/dbraw/zinc/80/61/76/415806176.db2.gz UMEXUTLGTGWWMU-YMAMQOFZSA-N 2 1 254.418 2.095 20 0 CEADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)nc(C)n1 ZINC000660013314 415850989 /nfs/dbraw/zinc/85/09/89/415850989.db2.gz VSGPQWXKRUUETO-ZBFHGGJFSA-N 2 1 274.412 2.010 20 0 CEADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)nc(C)n1 ZINC000660013314 415850995 /nfs/dbraw/zinc/85/09/95/415850995.db2.gz VSGPQWXKRUUETO-ZBFHGGJFSA-N 2 1 274.412 2.010 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)nc(C)n1 ZINC000660013314 415850999 /nfs/dbraw/zinc/85/09/99/415850999.db2.gz VSGPQWXKRUUETO-ZBFHGGJFSA-N 2 1 274.412 2.010 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)nc(C)n1 ZINC000660013314 415851008 /nfs/dbraw/zinc/85/10/08/415851008.db2.gz VSGPQWXKRUUETO-ZBFHGGJFSA-N 2 1 274.412 2.010 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000662386482 415818925 /nfs/dbraw/zinc/81/89/25/415818925.db2.gz ASPSRPIJFKJTTL-XHSDSOJGSA-N 2 1 297.487 2.234 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C1CCC1 ZINC000659975269 415819291 /nfs/dbraw/zinc/81/92/91/415819291.db2.gz WPNUGLGDDDHTQG-WBVHZDCISA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CCC1 ZINC000659975269 415819296 /nfs/dbraw/zinc/81/92/96/415819296.db2.gz WPNUGLGDDDHTQG-WBVHZDCISA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CCC1 ZINC000659975269 415819302 /nfs/dbraw/zinc/81/93/02/415819302.db2.gz WPNUGLGDDDHTQG-WBVHZDCISA-N 2 1 280.456 2.465 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCC(=O)NCC(C)C)C1 ZINC000659982601 415825698 /nfs/dbraw/zinc/82/56/98/415825698.db2.gz RUIFNHIWUGNROX-INIZCTEOSA-N 2 1 297.487 2.203 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCC(=O)NCC(C)C)C1 ZINC000659982601 415825703 /nfs/dbraw/zinc/82/57/03/415825703.db2.gz RUIFNHIWUGNROX-INIZCTEOSA-N 2 1 297.487 2.203 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCC(=O)NCC(C)C)C1 ZINC000659982601 415825707 /nfs/dbraw/zinc/82/57/07/415825707.db2.gz RUIFNHIWUGNROX-INIZCTEOSA-N 2 1 297.487 2.203 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000656708137 415827132 /nfs/dbraw/zinc/82/71/32/415827132.db2.gz NYQWVQNNXXAUJS-HNNXBMFYSA-N 2 1 277.412 2.351 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000656708137 415827134 /nfs/dbraw/zinc/82/71/34/415827134.db2.gz NYQWVQNNXXAUJS-HNNXBMFYSA-N 2 1 277.412 2.351 20 0 CEADMP CC(C)=CCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000660074849 415873280 /nfs/dbraw/zinc/87/32/80/415873280.db2.gz SBQQFJDMFSKMDL-INIZCTEOSA-N 2 1 265.445 2.055 20 0 CEADMP Cc1nc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)co1 ZINC000660115424 415888293 /nfs/dbraw/zinc/88/82/93/415888293.db2.gz NCCYDQUCDZUATJ-CZUORRHYSA-N 2 1 275.396 2.432 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC12CCCCC2 ZINC000660132059 415897050 /nfs/dbraw/zinc/89/70/50/415897050.db2.gz FLASGCKUMUOFFE-OAHLLOKOSA-N 2 1 268.445 2.486 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC12CCCCC2 ZINC000660132059 415897052 /nfs/dbraw/zinc/89/70/52/415897052.db2.gz FLASGCKUMUOFFE-OAHLLOKOSA-N 2 1 268.445 2.486 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC12CCCCC2 ZINC000660132059 415897055 /nfs/dbraw/zinc/89/70/55/415897055.db2.gz FLASGCKUMUOFFE-OAHLLOKOSA-N 2 1 268.445 2.486 20 0 CEADMP CC(C)=CCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000660139207 415900062 /nfs/dbraw/zinc/90/00/62/415900062.db2.gz ODKWTNSIHKRBMR-UHFFFAOYSA-N 2 1 267.461 2.301 20 0 CEADMP COC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000656789995 415864500 /nfs/dbraw/zinc/86/45/00/415864500.db2.gz HIWILRDATHICIR-DAXOMENPSA-N 2 1 280.387 2.143 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]2CCN(C)C[C@H]21)C1CCCC1 ZINC000660223030 415930484 /nfs/dbraw/zinc/93/04/84/415930484.db2.gz BGZCGYLXEKEIFE-FVQBIDKESA-N 2 1 266.429 2.218 20 0 CEADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc2c(c1)OCO2 ZINC000566569330 299004595 /nfs/dbraw/zinc/00/45/95/299004595.db2.gz QADPUSNLXAHFSY-LBPRGKRZSA-N 2 1 287.363 2.432 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000310783552 419476836 /nfs/dbraw/zinc/47/68/36/419476836.db2.gz FZNMHRFGFHIGKS-BARDWOONSA-N 2 1 256.434 2.102 20 0 CEADMP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1OC ZINC000666939558 419482425 /nfs/dbraw/zinc/48/24/25/419482425.db2.gz FOXYXYWMTNZHAQ-HVOFVXBASA-N 2 1 290.407 2.180 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1OC ZINC000666770713 419425455 /nfs/dbraw/zinc/42/54/55/419425455.db2.gz SRHRBMDXYSICJH-HIFRSBDPSA-N 2 1 292.423 2.367 20 0 CEADMP C[C@H](C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C(C)(C)C ZINC000666977374 419501307 /nfs/dbraw/zinc/50/13/07/419501307.db2.gz DXYAMPLIJNPTRC-QQFBHYJXSA-N 2 1 281.488 2.475 20 0 CEADMP Cc1[nH+]cc(CN(C)Cc2ccc3c(c2)OCO3)n1C ZINC000667485595 419694160 /nfs/dbraw/zinc/69/41/60/419694160.db2.gz XZOQTSDGHLYKIZ-UHFFFAOYSA-N 2 1 273.336 2.089 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@H]2c2ccccn2)n1C ZINC000667508143 419700566 /nfs/dbraw/zinc/70/05/66/419700566.db2.gz UMKYWZQMMSBSBN-HNNXBMFYSA-N 2 1 256.353 2.461 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@H]2c2ccccn2)n1C ZINC000667508143 419700570 /nfs/dbraw/zinc/70/05/70/419700570.db2.gz UMKYWZQMMSBSBN-HNNXBMFYSA-N 2 1 256.353 2.461 20 0 CEADMP COCc1csc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000667628889 419742034 /nfs/dbraw/zinc/74/20/34/419742034.db2.gz SYCQYBKPSXRUMT-GFCCVEGCSA-N 2 1 268.426 2.278 20 0 CEADMP COCc1csc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000667628889 419742041 /nfs/dbraw/zinc/74/20/41/419742041.db2.gz SYCQYBKPSXRUMT-GFCCVEGCSA-N 2 1 268.426 2.278 20 0 CEADMP C[C@@H]1C[NH+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1C ZINC000667649738 419747003 /nfs/dbraw/zinc/74/70/03/419747003.db2.gz AHIUSBNFJQUGHQ-CHWSQXEVSA-N 2 1 256.353 2.355 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390430817 262191988 /nfs/dbraw/zinc/19/19/88/262191988.db2.gz PLFMDRRCENLNAR-WMLDXEAASA-N 2 1 284.407 2.019 20 0 CEADMP CC(C)OCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435626581 262746302 /nfs/dbraw/zinc/74/63/02/262746302.db2.gz KWRBPFMHCSSDAA-QGZVFWFLSA-N 2 1 291.439 2.451 20 0 CEADMP CC(C)OCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435626581 262746303 /nfs/dbraw/zinc/74/63/03/262746303.db2.gz KWRBPFMHCSSDAA-QGZVFWFLSA-N 2 1 291.439 2.451 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000453104506 263189354 /nfs/dbraw/zinc/18/93/54/263189354.db2.gz UJSFGPVJIHGKGD-IKGGRYGDSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2nccn21 ZINC000453390712 263261053 /nfs/dbraw/zinc/26/10/53/263261053.db2.gz DFYILWBZRLVKMY-TZMCWYRMSA-N 2 1 262.401 2.353 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCC2CC(F)(F)C2)CC1 ZINC000453412554 263269107 /nfs/dbraw/zinc/26/91/07/263269107.db2.gz ITRSZSRDQRQBIZ-UHFFFAOYSA-N 2 1 276.371 2.122 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430571887 263299176 /nfs/dbraw/zinc/29/91/76/263299176.db2.gz DLRJRJMMSWKIRY-QKPAOTATSA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430571887 263299177 /nfs/dbraw/zinc/29/91/77/263299177.db2.gz DLRJRJMMSWKIRY-QKPAOTATSA-N 2 1 295.471 2.225 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000430584435 263324912 /nfs/dbraw/zinc/32/49/12/263324912.db2.gz YZNUZGSWJHBEPJ-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000430584435 263324913 /nfs/dbraw/zinc/32/49/13/263324913.db2.gz YZNUZGSWJHBEPJ-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000425413037 264291306 /nfs/dbraw/zinc/29/13/06/264291306.db2.gz ATRGWUBJMGFXSD-HYVNUMGLSA-N 2 1 278.440 2.360 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000037826020 270226116 /nfs/dbraw/zinc/22/61/16/270226116.db2.gz PMJYXBWJYNJVRO-UHFFFAOYSA-N 2 1 295.471 2.227 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000044532894 270229766 /nfs/dbraw/zinc/22/97/66/270229766.db2.gz PZUQEKCTZDLFNL-MRXNPFEDSA-N 2 1 284.407 2.304 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)CC[N@H+]1C ZINC000227296730 270310389 /nfs/dbraw/zinc/31/03/89/270310389.db2.gz ZLCVQUGWONCZIF-BZUAXINKSA-N 2 1 291.439 2.489 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000227715111 270311400 /nfs/dbraw/zinc/31/14/00/270311400.db2.gz CQAGBPFFNFKAND-BFHYXJOUSA-N 2 1 299.459 2.362 20 0 CEADMP COc1ccc(C[N@@H+](C)CCC[NH3+])cc1Br ZINC000227742780 270312392 /nfs/dbraw/zinc/31/23/92/270312392.db2.gz LTZNBZFJAKLHPF-UHFFFAOYSA-N 2 1 287.201 2.238 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000397261616 270352044 /nfs/dbraw/zinc/35/20/44/270352044.db2.gz IPUOOQIFFFHSMW-WWGRRREGSA-N 2 1 290.407 2.278 20 0 CEADMP CC(C)n1nccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397485267 270353856 /nfs/dbraw/zinc/35/38/56/270353856.db2.gz UJGALZPNEGPVHQ-HZSPNIEDSA-N 2 1 264.417 2.269 20 0 CEADMP CC(C)n1nccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397485267 270353857 /nfs/dbraw/zinc/35/38/57/270353857.db2.gz UJGALZPNEGPVHQ-HZSPNIEDSA-N 2 1 264.417 2.269 20 0 CEADMP CN(CC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000420317216 270515194 /nfs/dbraw/zinc/51/51/94/270515194.db2.gz MRSCNZXZJQFXJO-INIZCTEOSA-N 2 1 275.440 2.444 20 0 CEADMP CCc1noc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420334867 270520017 /nfs/dbraw/zinc/52/00/17/270520017.db2.gz UMNDYABDZAGCQU-XQQFMLRXSA-N 2 1 278.400 2.015 20 0 CEADMP COc1ccc(CC[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000420357771 270524915 /nfs/dbraw/zinc/52/49/15/270524915.db2.gz HSVVNZFCGITJBL-AWEZNQCLSA-N 2 1 250.386 2.201 20 0 CEADMP CCc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422950827 270804965 /nfs/dbraw/zinc/80/49/65/270804965.db2.gz ZCYKJHMLSRTKHZ-XHDPSFHLSA-N 2 1 260.381 2.270 20 0 CEADMP C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1c[nH+]ccc1N ZINC000423036430 270822933 /nfs/dbraw/zinc/82/29/33/270822933.db2.gz LAYCVKZGKXQIRY-QWHCGFSZSA-N 2 1 263.385 2.494 20 0 CEADMP CC[C@@H]([NH2+]C[C@@](C)(CO)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423105342 270836948 /nfs/dbraw/zinc/83/69/48/270836948.db2.gz IEVYSYOVPPVESE-IKGGRYGDSA-N 2 1 276.424 2.057 20 0 CEADMP C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)[C@H]1CCC[NH2+]1 ZINC000423129549 270845580 /nfs/dbraw/zinc/84/55/80/270845580.db2.gz FGJALAWSCMUQGJ-GXFFZTMASA-N 2 1 287.329 2.373 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000423523566 270921228 /nfs/dbraw/zinc/92/12/28/270921228.db2.gz SBRZOBSLAMNKNC-RBSFLKMASA-N 2 1 267.461 2.085 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000423752630 270937221 /nfs/dbraw/zinc/93/72/21/270937221.db2.gz AYANTNROBAXLRQ-JJXSEGSLSA-N 2 1 295.471 2.144 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC000424273499 271037482 /nfs/dbraw/zinc/03/74/82/271037482.db2.gz XBBBQGQZDYHIAN-GEEKYZPCSA-N 2 1 277.412 2.375 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H]3CN(C[C@@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000424289769 271039836 /nfs/dbraw/zinc/03/98/36/271039836.db2.gz CDIPIWXVGGUPNB-CEXWTWQISA-N 2 1 299.462 2.192 20 0 CEADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3=CC[N@@H+](C)CC3)C[C@H]2C1 ZINC000424288927 271040260 /nfs/dbraw/zinc/04/02/60/271040260.db2.gz SQXSKMFHUVEIHX-PLAPLOCASA-N 2 1 264.413 2.042 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CCC[NH+]1CCCCC1)CC[NH2+]CC2 ZINC000424295847 271041456 /nfs/dbraw/zinc/04/14/56/271041456.db2.gz RJGSLMJDOYOXBU-MRXNPFEDSA-N 3 1 279.472 2.326 20 0 CEADMP C[C@@H]1CC2(C[N@@H+]1CCCN1CCCCC1)CC[NH2+]CC2 ZINC000424295847 271041457 /nfs/dbraw/zinc/04/14/57/271041457.db2.gz RJGSLMJDOYOXBU-MRXNPFEDSA-N 2 1 279.472 2.326 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CCCN1CCCCC1)CC[NH2+]CC2 ZINC000424295847 271041460 /nfs/dbraw/zinc/04/14/60/271041460.db2.gz RJGSLMJDOYOXBU-MRXNPFEDSA-N 2 1 279.472 2.326 20 0 CEADMP CCCC[C@H]([NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424337454 271047668 /nfs/dbraw/zinc/04/76/68/271047668.db2.gz LMVQDFWBKIXCAR-JTQLQIEISA-N 2 1 252.362 2.378 20 0 CEADMP COCc1cnc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000424369787 271051673 /nfs/dbraw/zinc/05/16/73/271051673.db2.gz BOWAHHFFOYKLAV-GFCCVEGCSA-N 2 1 295.452 2.254 20 0 CEADMP CS[C@H]1CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000425342418 271158775 /nfs/dbraw/zinc/15/87/75/271158775.db2.gz HFCAWZANHBZZRB-YUSLTOFOSA-N 2 1 254.443 2.485 20 0 CEADMP CS[C@H]1CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000425342418 271158774 /nfs/dbraw/zinc/15/87/74/271158774.db2.gz HFCAWZANHBZZRB-YUSLTOFOSA-N 2 1 254.443 2.485 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000426313680 271211199 /nfs/dbraw/zinc/21/11/99/271211199.db2.gz NOHKXSHKWWSHOE-IIAWOOMASA-N 2 1 291.414 2.334 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000426313680 271211202 /nfs/dbraw/zinc/21/12/02/271211202.db2.gz NOHKXSHKWWSHOE-IIAWOOMASA-N 2 1 291.414 2.334 20 0 CEADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000426333596 271212870 /nfs/dbraw/zinc/21/28/70/271212870.db2.gz UTISWRVCQIESDW-MJBXVCDLSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)[C@H]([NH3+])CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000429145015 271307845 /nfs/dbraw/zinc/30/78/45/271307845.db2.gz UNCANMLEOSNUQA-KGLIPLIRSA-N 2 1 297.830 2.042 20 0 CEADMP C[N@H+](CC(C)(C)C[NH3+])[C@H]1CCCN(c2ccccc2)C1=O ZINC000430548942 271388913 /nfs/dbraw/zinc/38/89/13/271388913.db2.gz WVCJWVVNWLPXOL-HNNXBMFYSA-N 2 1 289.423 2.099 20 0 CEADMP C[N@@H+](CC(C)(C)C[NH3+])[C@H]1CCCN(c2ccccc2)C1=O ZINC000430548942 271388914 /nfs/dbraw/zinc/38/89/14/271388914.db2.gz WVCJWVVNWLPXOL-HNNXBMFYSA-N 2 1 289.423 2.099 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430545675 271388993 /nfs/dbraw/zinc/38/89/93/271388993.db2.gz IKEWRUPSZCYAPD-MRXNPFEDSA-N 2 1 293.386 2.180 20 0 CEADMP C[C@@](C[NH3+])([NH2+]CCSc1ccccc1)C1CC1 ZINC000430566487 271391816 /nfs/dbraw/zinc/39/18/16/271391816.db2.gz BZFRGULBNCRPMV-AWEZNQCLSA-N 2 1 250.411 2.496 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2nc3ccccc3n2C)C1 ZINC000430582894 271393671 /nfs/dbraw/zinc/39/36/71/271393671.db2.gz LJIIGWNQIXYDGP-KBPBESRZSA-N 2 1 286.423 2.175 20 0 CEADMP C[C@@H](CO)[N@H+]1CCCN(c2cc[nH+]c3ccccc32)CC1 ZINC000364263716 274227804 /nfs/dbraw/zinc/22/78/04/274227804.db2.gz CZDHADXDTFHPFG-AWEZNQCLSA-N 2 1 285.391 2.128 20 0 CEADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCC2 ZINC000335488850 274913267 /nfs/dbraw/zinc/91/32/67/274913267.db2.gz QHUKHMRMDWXWDK-GOEBONIOSA-N 2 1 278.371 2.171 20 0 CEADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000186835550 275591710 /nfs/dbraw/zinc/59/17/10/275591710.db2.gz SYIHKSQMMRGEEZ-GJZGRUSLSA-N 2 1 254.418 2.264 20 0 CEADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000344662152 276108544 /nfs/dbraw/zinc/10/85/44/276108544.db2.gz FNMAPZGIEKUIJF-HOCLYGCPSA-N 2 1 291.439 2.136 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000355339551 276118282 /nfs/dbraw/zinc/11/82/82/276118282.db2.gz ZXSCIGBQJSURHS-ZIAGYGMSSA-N 2 1 279.428 2.341 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000337345638 276258943 /nfs/dbraw/zinc/25/89/43/276258943.db2.gz LKQDCUKCLPHNBU-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000337345638 276258945 /nfs/dbraw/zinc/25/89/45/276258945.db2.gz LKQDCUKCLPHNBU-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000337345638 276258946 /nfs/dbraw/zinc/25/89/46/276258946.db2.gz LKQDCUKCLPHNBU-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1CNCc1c[nH+]ccc1N(C)C ZINC000353133712 276260244 /nfs/dbraw/zinc/26/02/44/276260244.db2.gz FVOMUVDATRZPIK-OAHLLOKOSA-N 2 1 276.428 2.112 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNCc1c[nH+]ccc1N(C)C ZINC000353133712 276260247 /nfs/dbraw/zinc/26/02/47/276260247.db2.gz FVOMUVDATRZPIK-OAHLLOKOSA-N 2 1 276.428 2.112 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000338290212 276324610 /nfs/dbraw/zinc/32/46/10/276324610.db2.gz LHAJAUCDLQYFIE-LSDHHAIUSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000338290212 276324611 /nfs/dbraw/zinc/32/46/11/276324611.db2.gz LHAJAUCDLQYFIE-LSDHHAIUSA-N 2 1 270.461 2.447 20 0 CEADMP CC(=O)NCC[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000347645311 277034250 /nfs/dbraw/zinc/03/42/50/277034250.db2.gz OAVCWZYXFFQQPE-IAGOWNOFSA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCC[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000347645311 277034252 /nfs/dbraw/zinc/03/42/52/277034252.db2.gz OAVCWZYXFFQQPE-IAGOWNOFSA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCC[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000347645311 277034253 /nfs/dbraw/zinc/03/42/53/277034253.db2.gz OAVCWZYXFFQQPE-IAGOWNOFSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCc2cc[nH]c(=O)c2C1 ZINC000276968978 277046439 /nfs/dbraw/zinc/04/64/39/277046439.db2.gz QZIOXWFNQIIEBG-AWEZNQCLSA-N 2 1 275.396 2.020 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCc2cc[nH]c(=O)c2C1 ZINC000276968978 277046440 /nfs/dbraw/zinc/04/64/40/277046440.db2.gz QZIOXWFNQIIEBG-AWEZNQCLSA-N 2 1 275.396 2.020 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276968978 277046442 /nfs/dbraw/zinc/04/64/42/277046442.db2.gz QZIOXWFNQIIEBG-AWEZNQCLSA-N 2 1 275.396 2.020 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276968978 277046443 /nfs/dbraw/zinc/04/64/43/277046443.db2.gz QZIOXWFNQIIEBG-AWEZNQCLSA-N 2 1 275.396 2.020 20 0 CEADMP COC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000369324775 277057108 /nfs/dbraw/zinc/05/71/08/277057108.db2.gz GKSUNCGDSADUSZ-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000369324775 277057109 /nfs/dbraw/zinc/05/71/09/277057109.db2.gz GKSUNCGDSADUSZ-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000369324775 277057111 /nfs/dbraw/zinc/05/71/11/277057111.db2.gz GKSUNCGDSADUSZ-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000369324775 277057113 /nfs/dbraw/zinc/05/71/13/277057113.db2.gz GKSUNCGDSADUSZ-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000361110716 277073423 /nfs/dbraw/zinc/07/34/23/277073423.db2.gz HOTXJWOAQUZCIE-CXAGYDPISA-N 2 1 289.423 2.117 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000358264042 277184219 /nfs/dbraw/zinc/18/42/19/277184219.db2.gz YCCBWOQQGLQRFS-KSZLIROESA-N 2 1 288.435 2.369 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000358264042 277184221 /nfs/dbraw/zinc/18/42/21/277184221.db2.gz YCCBWOQQGLQRFS-KSZLIROESA-N 2 1 288.435 2.369 20 0 CEADMP CC(C)(C)[C@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000262130468 277249173 /nfs/dbraw/zinc/24/91/73/277249173.db2.gz YCNINMANMPDHQR-LLVKDONJSA-N 2 1 260.341 2.241 20 0 CEADMP CC(C)=CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111231039 277324798 /nfs/dbraw/zinc/32/47/98/277324798.db2.gz KYRPLMMYFNRMRN-INIZCTEOSA-N 2 1 265.445 2.055 20 0 CEADMP CC(C)=CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111231039 277324799 /nfs/dbraw/zinc/32/47/99/277324799.db2.gz KYRPLMMYFNRMRN-INIZCTEOSA-N 2 1 265.445 2.055 20 0 CEADMP CC(C)CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378367117 277354354 /nfs/dbraw/zinc/35/43/54/277354354.db2.gz DDCNUHBUICRFRF-OAHLLOKOSA-N 2 1 267.461 2.133 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](O)c1ccc(F)cc1 ZINC000298447813 277615292 /nfs/dbraw/zinc/61/52/92/277615292.db2.gz NUISOFJEEXGLJZ-PXAZEXFGSA-N 2 1 292.398 2.464 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCCOCC(F)(F)F ZINC000063196390 278230990 /nfs/dbraw/zinc/23/09/90/278230990.db2.gz XKCGHADMBDEHCX-WDEREUQCSA-N 2 1 268.323 2.157 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1ccccc1)[NH+](C)C ZINC000156177249 288076212 /nfs/dbraw/zinc/07/62/12/288076212.db2.gz DPMNQIVFXYRIMS-PVAVHDDUSA-N 2 1 275.440 2.219 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000156177249 288076213 /nfs/dbraw/zinc/07/62/13/288076213.db2.gz DPMNQIVFXYRIMS-PVAVHDDUSA-N 2 1 275.440 2.219 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000156177249 288076215 /nfs/dbraw/zinc/07/62/15/288076215.db2.gz DPMNQIVFXYRIMS-PVAVHDDUSA-N 2 1 275.440 2.219 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCC2CCOCC2)C1 ZINC000346962143 279036915 /nfs/dbraw/zinc/03/69/15/279036915.db2.gz GRLQYLYBOASNFD-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC000346962143 279036916 /nfs/dbraw/zinc/03/69/16/279036916.db2.gz GRLQYLYBOASNFD-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC000346962143 279036917 /nfs/dbraw/zinc/03/69/17/279036917.db2.gz GRLQYLYBOASNFD-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000362414138 279091256 /nfs/dbraw/zinc/09/12/56/279091256.db2.gz SJCMTZMTOPPFKU-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC2(C1)CCOCC2 ZINC000375973807 279094077 /nfs/dbraw/zinc/09/40/77/279094077.db2.gz LMAHFYUZBHJFEC-UHFFFAOYSA-N 2 1 254.418 2.221 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2(SC)CC2)C1 ZINC000347860673 279109873 /nfs/dbraw/zinc/10/98/73/279109873.db2.gz JNWIUQAYBGJLJV-CQSZACIVSA-N 2 1 286.485 2.315 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000358302275 288104960 /nfs/dbraw/zinc/10/49/60/288104960.db2.gz QAGACSHDIZKFOU-KBXIAJHMSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305282257 279121375 /nfs/dbraw/zinc/12/13/75/279121375.db2.gz CEWVOWYGVJKWKE-XHSDSOJGSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000090542757 288102110 /nfs/dbraw/zinc/10/21/10/288102110.db2.gz GEBRWVNBWPAXJM-DGADGQDISA-N 2 1 298.496 2.359 20 0 CEADMP CCN(CCC[N@H+]1CC[C@@H](C[NH+](C)C)C1)CC(F)(F)F ZINC000354817297 279182665 /nfs/dbraw/zinc/18/26/65/279182665.db2.gz IYRRRUKFZVZYCP-ZDUSSCGKSA-N 2 1 295.393 2.144 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415100320 279186799 /nfs/dbraw/zinc/18/67/99/279186799.db2.gz ABQYDRXTJAYDIB-GXTWGEPZSA-N 2 1 264.417 2.189 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415100320 279186801 /nfs/dbraw/zinc/18/68/01/279186801.db2.gz ABQYDRXTJAYDIB-GXTWGEPZSA-N 2 1 264.417 2.189 20 0 CEADMP Cc1nnc([C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000374075892 279232257 /nfs/dbraw/zinc/23/22/57/279232257.db2.gz XWTWCINZCYNIKK-LBPRGKRZSA-N 2 1 278.400 2.247 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000245895871 279266923 /nfs/dbraw/zinc/26/69/23/279266923.db2.gz IEYPCNLINCNVAI-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000354279695 279267742 /nfs/dbraw/zinc/26/77/42/279267742.db2.gz CRFRBQVPPWZDFI-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000354279695 279267744 /nfs/dbraw/zinc/26/77/44/279267744.db2.gz CRFRBQVPPWZDFI-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000354279695 279267747 /nfs/dbraw/zinc/26/77/47/279267747.db2.gz CRFRBQVPPWZDFI-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)N(C)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514816 279325128 /nfs/dbraw/zinc/32/51/28/279325128.db2.gz GVJSTYJKSYQZSL-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514816 279325131 /nfs/dbraw/zinc/32/51/31/279325131.db2.gz GVJSTYJKSYQZSL-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC000337199797 279368930 /nfs/dbraw/zinc/36/89/30/279368930.db2.gz ZDEKXIDJHFCKGR-DLBZAZTESA-N 2 1 281.488 2.380 20 0 CEADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)OC[C@@H]2C)[C@H](C)CO1 ZINC000172649898 288159041 /nfs/dbraw/zinc/15/90/41/288159041.db2.gz SLTKHKDAMSUUCJ-WNKDZCFJSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)OC[C@@H]2C)[C@H](C)CO1 ZINC000172649898 288159042 /nfs/dbraw/zinc/15/90/42/288159042.db2.gz SLTKHKDAMSUUCJ-WNKDZCFJSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)OC[C@@H]2C)[C@H](C)CO1 ZINC000172649898 288159043 /nfs/dbraw/zinc/15/90/43/288159043.db2.gz SLTKHKDAMSUUCJ-WNKDZCFJSA-N 2 1 298.471 2.375 20 0 CEADMP CCn1nccc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000125223256 279809380 /nfs/dbraw/zinc/80/93/80/279809380.db2.gz ONJBGSKUZNRPDN-CQSZACIVSA-N 2 1 264.417 2.115 20 0 CEADMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC)[NH+](CC)CC ZINC000346965903 280078903 /nfs/dbraw/zinc/07/89/03/280078903.db2.gz CCRZQJYGSQUONM-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000118785139 280100126 /nfs/dbraw/zinc/10/01/26/280100126.db2.gz UMJSRGRMICMLKS-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000354937651 280100309 /nfs/dbraw/zinc/10/03/09/280100309.db2.gz ISLBQILTOUEJRV-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)[C@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)[NH+](C)C ZINC000154846038 280142360 /nfs/dbraw/zinc/14/23/60/280142360.db2.gz KXYBSCNMKIJPQT-GDBMZVCRSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCS1 ZINC000128076787 280159873 /nfs/dbraw/zinc/15/98/73/280159873.db2.gz BOPYRIMCXMKTKZ-BFHYXJOUSA-N 2 1 254.443 2.489 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000245626522 280253797 /nfs/dbraw/zinc/25/37/97/280253797.db2.gz YPBDOSSULGNSHQ-ABHRYQDASA-N 2 1 254.418 2.262 20 0 CEADMP CC(C)[C@H](CN[C@@H]1C[N@@H+](C)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000343268876 280255190 /nfs/dbraw/zinc/25/51/90/280255190.db2.gz HBJQTRGEXNQMAK-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000161994833 280281342 /nfs/dbraw/zinc/28/13/42/280281342.db2.gz WKURAWVEUVFEGS-CVEARBPZSA-N 2 1 291.439 2.121 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccccn2)[C@@H](C)C1 ZINC000246421507 280292910 /nfs/dbraw/zinc/29/29/10/280292910.db2.gz BWKFZWGIAIRMLI-HOCLYGCPSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccccn2)[C@@H](C)C1 ZINC000246421507 280292911 /nfs/dbraw/zinc/29/29/11/280292911.db2.gz BWKFZWGIAIRMLI-HOCLYGCPSA-N 2 1 261.413 2.286 20 0 CEADMP Cc1cc(N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc[nH+]1 ZINC000364902698 280300214 /nfs/dbraw/zinc/30/02/14/280300214.db2.gz BFDKHFWYUAIETJ-IAOVAPTHSA-N 2 1 289.423 2.113 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC(=O)N2CCCCCC2)[C@@H](C)C1 ZINC000247012695 280317802 /nfs/dbraw/zinc/31/78/02/280317802.db2.gz MJIFNRCFMUQBBP-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000247028726 280318198 /nfs/dbraw/zinc/31/81/98/280318198.db2.gz VGYKFAKHERRGLH-KBUPBQIOSA-N 2 1 266.429 2.121 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H](CC(C)C)[NH+](C)C)[C@@H](C)C1 ZINC000247207316 280323037 /nfs/dbraw/zinc/32/30/37/280323037.db2.gz WRRNYCJYBMFMNP-XHSDSOJGSA-N 3 1 269.477 2.283 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C(C)C ZINC000248214816 280343384 /nfs/dbraw/zinc/34/33/84/280343384.db2.gz ZKRWWIQOWLJFJJ-GJZGRUSLSA-N 2 1 256.434 2.248 20 0 CEADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248885184 280371561 /nfs/dbraw/zinc/37/15/61/280371561.db2.gz XTFLLIRRLPJLMF-KURKYZTESA-N 2 1 288.435 2.115 20 0 CEADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCCC[C@@H]2N)C[C@@H](C)O1 ZINC000422915254 280963510 /nfs/dbraw/zinc/96/35/10/280963510.db2.gz XUNBKWWJCJVCKZ-WCXIOVBPSA-N 2 1 297.487 2.125 20 0 CEADMP CCCCOc1ncccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422974075 280981825 /nfs/dbraw/zinc/98/18/25/280981825.db2.gz QHTGERBVFVJQGD-CHWSQXEVSA-N 2 1 265.401 2.476 20 0 CEADMP CCC(CC)(C[NH2+][C@@H](C)c1c[nH+]ccc1N)C(=O)OC ZINC000423037263 281004413 /nfs/dbraw/zinc/00/44/13/281004413.db2.gz MMPGTHCANUMSDJ-NSHDSACASA-N 2 1 279.384 2.124 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)c1nccs1)[C@H]1CCCC[NH2+]1 ZINC000423039728 281006069 /nfs/dbraw/zinc/00/60/69/281006069.db2.gz RHUBJUGRJJYLEM-QJPTWQEYSA-N 2 1 253.415 2.367 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423057706 281013182 /nfs/dbraw/zinc/01/31/82/281013182.db2.gz ZSCGKSUQEFBOFX-LSDHHAIUSA-N 3 1 255.450 2.358 20 0 CEADMP FC(F)(F)C1CC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423134969 281018475 /nfs/dbraw/zinc/01/84/75/281018475.db2.gz XIXDWXXJAQVRKZ-FQLQODGNSA-N 2 1 292.345 2.074 20 0 CEADMP Cc1cc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CC2)ccc1F ZINC000423419090 281036174 /nfs/dbraw/zinc/03/61/74/281036174.db2.gz AJKVQCCBEQBNRM-LQKXBSAESA-N 2 1 260.356 2.393 20 0 CEADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423431905 281039642 /nfs/dbraw/zinc/03/96/42/281039642.db2.gz MBSSRHVOLQERIW-UIBIWLFHSA-N 2 1 284.403 2.196 20 0 CEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(Br)c1 ZINC000423435101 281040510 /nfs/dbraw/zinc/04/05/10/281040510.db2.gz OSJMZLNNIGMGSJ-HWNAMQAFSA-N 2 1 281.197 2.318 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)[C@H](C)[NH3+] ZINC000423435402 281040572 /nfs/dbraw/zinc/04/05/72/281040572.db2.gz DTWBEDPNGBMUPM-XQQFMLRXSA-N 2 1 258.369 2.259 20 0 CEADMP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC2CCCCC2)C[N@H+]1C1CC1 ZINC000423438029 281042460 /nfs/dbraw/zinc/04/24/60/281042460.db2.gz UURCBQVOWUHYET-INWMFGNUSA-N 2 1 293.455 2.026 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1OC ZINC000423449326 281046466 /nfs/dbraw/zinc/04/64/66/281046466.db2.gz RJTJZQABHYLBDC-TUAOUCFPSA-N 2 1 266.385 2.399 20 0 CEADMP CC[C@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423476332 281052529 /nfs/dbraw/zinc/05/25/29/281052529.db2.gz SIXABRVOBWJCNS-XIRDDKMYSA-N 2 1 275.440 2.224 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000423495779 281055325 /nfs/dbraw/zinc/05/53/25/281055325.db2.gz CQABOQKXCKYWJO-KBRIMQKVSA-N 2 1 275.440 2.179 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)CC2 ZINC000178521996 281116948 /nfs/dbraw/zinc/11/69/48/281116948.db2.gz SVNXNDWQMKENOF-GOSISDBHSA-N 2 1 288.435 2.419 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424274785 281141700 /nfs/dbraw/zinc/14/17/00/281141700.db2.gz ACKZDLVPINXVTC-ZBFHGGJFSA-N 2 1 293.430 2.142 20 0 CEADMP C[NH2+]CCC1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424301957 281144492 /nfs/dbraw/zinc/14/44/92/281144492.db2.gz LMDBLPPIAUMYCG-INIZCTEOSA-N 2 1 293.430 2.190 20 0 CEADMP C[NH2+]CCC1CC[NH+](C[C@H](CN)c2ccc(F)cc2)CC1 ZINC000424301957 281144496 /nfs/dbraw/zinc/14/44/96/281144496.db2.gz LMDBLPPIAUMYCG-INIZCTEOSA-N 2 1 293.430 2.190 20 0 CEADMP Cc1ccc2[nH+]ccc(N3CC[N@@H+](CCO)[C@H](C)C3)c2c1 ZINC000302425345 281169506 /nfs/dbraw/zinc/16/95/06/281169506.db2.gz NOTZKOVMIVRXRY-CQSZACIVSA-N 2 1 285.391 2.046 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000430939568 281283772 /nfs/dbraw/zinc/28/37/72/281283772.db2.gz GUGYLGBDEKGWEO-GFCCVEGCSA-N 2 1 268.788 2.390 20 0 CEADMP CC(C)CCc1noc(C[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000431035594 281287373 /nfs/dbraw/zinc/28/73/73/281287373.db2.gz DZMPXQDTPHFLFS-UHFFFAOYSA-N 2 1 292.427 2.234 20 0 CEADMP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C2 ZINC000353485626 281300353 /nfs/dbraw/zinc/30/03/53/281300353.db2.gz UNVHECPFHMMRHO-BMFZPTHFSA-N 2 1 274.408 2.228 20 0 CEADMP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@H]1C)C2 ZINC000353485626 281300355 /nfs/dbraw/zinc/30/03/55/281300355.db2.gz UNVHECPFHMMRHO-BMFZPTHFSA-N 2 1 274.408 2.228 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000431570280 281308390 /nfs/dbraw/zinc/30/83/90/281308390.db2.gz LYEUFTVJWOLHNZ-UHFFFAOYSA-N 2 1 297.487 2.203 20 0 CEADMP COCC[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCCSC1 ZINC000433177307 281372880 /nfs/dbraw/zinc/37/28/80/281372880.db2.gz DMXNVLCMBRMBRU-HNNXBMFYSA-N 2 1 297.468 2.426 20 0 CEADMP COCC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCCSC1 ZINC000433177307 281372882 /nfs/dbraw/zinc/37/28/82/281372882.db2.gz DMXNVLCMBRMBRU-HNNXBMFYSA-N 2 1 297.468 2.426 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000357148977 282016888 /nfs/dbraw/zinc/01/68/88/282016888.db2.gz OTHDNQXQJXZPQQ-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+](C)CC1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CCCC1 ZINC000367725515 282075306 /nfs/dbraw/zinc/07/53/06/282075306.db2.gz KVLXLDVSOZREHN-CQSZACIVSA-N 2 1 276.428 2.499 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313054381 289189457 /nfs/dbraw/zinc/18/94/57/289189457.db2.gz RZGBLOANPFFNGL-UONOGXRCSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCOCC1CCOCC1 ZINC000157483044 289215367 /nfs/dbraw/zinc/21/53/67/289215367.db2.gz RQTZKIJWNZBNKL-VYDXJSESSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158257866 289231156 /nfs/dbraw/zinc/23/11/56/289231156.db2.gz YOFHDUBCQGTIRW-HUUCEWRRSA-N 2 1 299.422 2.260 20 0 CEADMP CCc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000306109914 289275366 /nfs/dbraw/zinc/27/53/66/289275366.db2.gz SYLISCNGTCKUOX-CQSZACIVSA-N 2 1 250.411 2.496 20 0 CEADMP C[NH+](C)[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000250348885 289366101 /nfs/dbraw/zinc/36/61/01/289366101.db2.gz IMKNALPPMLFANT-YESZJQIVSA-N 2 1 275.440 2.396 20 0 CEADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274963030 289604032 /nfs/dbraw/zinc/60/40/32/289604032.db2.gz XACLFBMAEZFUNJ-OLZOCXBDSA-N 2 1 296.846 2.022 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCCO1 ZINC000356696390 290019556 /nfs/dbraw/zinc/01/95/56/290019556.db2.gz LWTUISWJRISYEB-YJNKXOJESA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H](O)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000346849204 290082047 /nfs/dbraw/zinc/08/20/47/290082047.db2.gz RTXSTYUBGXCZDY-UONOGXRCSA-N 2 1 254.418 2.002 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCn2cc(Cl)cn2)[C@@H](C)C1 ZINC000459373909 290129936 /nfs/dbraw/zinc/12/99/36/290129936.db2.gz IQOSLBBKCRPSQD-JSGCOSHPSA-N 2 1 284.835 2.199 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCn2cc(Cl)cn2)[C@@H](C)C1 ZINC000459373909 290129940 /nfs/dbraw/zinc/12/99/40/290129940.db2.gz IQOSLBBKCRPSQD-JSGCOSHPSA-N 2 1 284.835 2.199 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2cc(Cl)cn2)[C@@H](C)C1 ZINC000459373909 290129944 /nfs/dbraw/zinc/12/99/44/290129944.db2.gz IQOSLBBKCRPSQD-JSGCOSHPSA-N 2 1 284.835 2.199 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1SC ZINC000459389887 290134729 /nfs/dbraw/zinc/13/47/29/290134729.db2.gz NYYUGAGISABDOB-KFWWJZLASA-N 2 1 284.469 2.112 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1COc2ccccc21 ZINC000459396004 290136120 /nfs/dbraw/zinc/13/61/20/290136120.db2.gz DLBUTBXRTJWKEL-IUODEOHRSA-N 2 1 271.364 2.117 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC1CC[NH+](C2CC2)CC1 ZINC000459428885 290146166 /nfs/dbraw/zinc/14/61/66/290146166.db2.gz OTMXASYYPCPEGI-GASCZTMLSA-N 2 1 279.472 2.466 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C12CCC2 ZINC000459724358 290218501 /nfs/dbraw/zinc/21/85/01/290218501.db2.gz APRFFQXLOKTYLP-HUUCEWRRSA-N 2 1 275.396 2.195 20 0 CEADMP CC(C)Cn1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000459783967 290238853 /nfs/dbraw/zinc/23/88/53/290238853.db2.gz NPQIFXGKNMSUSI-HNNXBMFYSA-N 2 1 278.444 2.361 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000469855887 290273007 /nfs/dbraw/zinc/27/30/07/290273007.db2.gz KWERREXJGGBFAU-MGPQQGTHSA-N 2 1 262.397 2.468 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1nc2c(s1)CCC2 ZINC000471758173 290281507 /nfs/dbraw/zinc/28/15/07/290281507.db2.gz LNNBNHJGSKSGBW-SNVBAGLBSA-N 2 1 276.409 2.259 20 0 CEADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000471761813 290282335 /nfs/dbraw/zinc/28/23/35/290282335.db2.gz RQURDYZFIGTZEY-UONOGXRCSA-N 2 1 265.401 2.146 20 0 CEADMP CCC1(CC)[C@H]([NH2+]CCc2c[nH+]cn2C)[C@H](C)[C@H]1OC ZINC000471774330 290282792 /nfs/dbraw/zinc/28/27/92/290282792.db2.gz SIBYJZVEZTYOLF-NWANDNLSSA-N 2 1 279.428 2.392 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC2(C)C)CC1 ZINC000486953598 290323224 /nfs/dbraw/zinc/32/32/24/290323224.db2.gz FSMTVVNFINHFQQ-JSGCOSHPSA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@@H+]1CCCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000486960640 290324072 /nfs/dbraw/zinc/32/40/72/290324072.db2.gz BBCVCAQRQQIMTJ-UHFFFAOYSA-N 2 1 291.443 2.198 20 0 CEADMP CC[N@H+]1CCCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000486960640 290324076 /nfs/dbraw/zinc/32/40/76/290324076.db2.gz BBCVCAQRQQIMTJ-UHFFFAOYSA-N 2 1 291.443 2.198 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C/C=C/c2ccncc2)CCCO1 ZINC000487173641 290335281 /nfs/dbraw/zinc/33/52/81/290335281.db2.gz OQMXGRIHBBTXBR-OUGHUQCRSA-N 2 1 289.423 2.185 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CC[C@H]1CCCO1)CC[NH2+]CC2 ZINC000335281801 290363817 /nfs/dbraw/zinc/36/38/17/290363817.db2.gz YLHCYVIXFKTDPN-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@H]1CCCOC1 ZINC000352526754 295229516 /nfs/dbraw/zinc/22/95/16/295229516.db2.gz RJPWADHFLXNZFW-OAHLLOKOSA-N 2 1 254.418 2.254 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000192681662 297139376 /nfs/dbraw/zinc/13/93/76/297139376.db2.gz JCBFAFRMRCAGAG-CVEARBPZSA-N 2 1 296.455 2.036 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000530206289 298048812 /nfs/dbraw/zinc/04/88/12/298048812.db2.gz AGFGEGOIGYFECB-MRXNPFEDSA-N 2 1 280.387 2.067 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000530211701 298050968 /nfs/dbraw/zinc/05/09/68/298050968.db2.gz ODSLJSISOAYWNS-GRYCIOLGSA-N 2 1 290.333 2.236 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000530216580 298053183 /nfs/dbraw/zinc/05/31/83/298053183.db2.gz BRRIQPPRSPCUDD-JGGQBBKZSA-N 2 1 280.387 2.052 20 0 CEADMP CC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000531970912 298127366 /nfs/dbraw/zinc/12/73/66/298127366.db2.gz BPGSXGXJOMPLJC-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000537679385 298216785 /nfs/dbraw/zinc/21/67/85/298216785.db2.gz ONBMLRBJQWNAPS-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000539060614 298244630 /nfs/dbraw/zinc/24/46/30/298244630.db2.gz VBBSBODXCNYQFY-ZMSDIMECSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000539060614 298244632 /nfs/dbraw/zinc/24/46/32/298244632.db2.gz VBBSBODXCNYQFY-ZMSDIMECSA-N 2 1 276.424 2.400 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000540360162 298264721 /nfs/dbraw/zinc/26/47/21/298264721.db2.gz KROJKWQVIWUYGW-AWEZNQCLSA-N 3 1 290.455 2.292 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000542560613 298293437 /nfs/dbraw/zinc/29/34/37/298293437.db2.gz HQOYYSNLXCOKAA-HOTGVXAUSA-N 2 1 295.471 2.275 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000542560611 298293539 /nfs/dbraw/zinc/29/35/39/298293539.db2.gz HQOYYSNLXCOKAA-CVEARBPZSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000347530932 312860974 /nfs/dbraw/zinc/86/09/74/312860974.db2.gz VIZYQZCQLTZULX-XOYOTBSWSA-N 2 1 290.451 2.471 20 0 CEADMP COC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000514795300 313055857 /nfs/dbraw/zinc/05/58/57/313055857.db2.gz FLPSKZPXDGZNGR-INIZCTEOSA-N 2 1 273.380 2.330 20 0 CEADMP CC[N@H+](Cc1ccc(-c2nc(C[NH3+])no2)cc1)C1CC1 ZINC000515648067 313074470 /nfs/dbraw/zinc/07/44/70/313074470.db2.gz FVOSFFHWFXJGGO-UHFFFAOYSA-N 2 1 272.352 2.180 20 0 CEADMP CC[N@@H+](Cc1ccc(-c2nc(C[NH3+])no2)cc1)C1CC1 ZINC000515648067 313074478 /nfs/dbraw/zinc/07/44/78/313074478.db2.gz FVOSFFHWFXJGGO-UHFFFAOYSA-N 2 1 272.352 2.180 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000521949519 313136279 /nfs/dbraw/zinc/13/62/79/313136279.db2.gz BTGCYTVYUKZYOT-ZBFHGGJFSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([NH2+]CC2CC[NH+](CC)CC2)[C@H](C)C1 ZINC000521949519 313136282 /nfs/dbraw/zinc/13/62/82/313136282.db2.gz BTGCYTVYUKZYOT-ZBFHGGJFSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[C@@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000522173330 313141801 /nfs/dbraw/zinc/14/18/01/313141801.db2.gz NBTKKFHNETYRMV-CYBMUJFWSA-N 2 1 290.411 2.208 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CC12CC2 ZINC000527858311 313211075 /nfs/dbraw/zinc/21/10/75/313211075.db2.gz JSODMZPOJALJNP-HUUCEWRRSA-N 2 1 278.440 2.410 20 0 CEADMP C[C@H]([NH2+]CC1COC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528024869 313227917 /nfs/dbraw/zinc/22/79/17/313227917.db2.gz KYZWOKDUGGVKFE-YOEHRIQHSA-N 2 1 274.408 2.133 20 0 CEADMP [NH3+]CCOCC[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000530231789 313286602 /nfs/dbraw/zinc/28/66/02/313286602.db2.gz MNNAZWWTJSJFAO-UHFFFAOYSA-N 2 1 288.313 2.039 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000530231789 313286605 /nfs/dbraw/zinc/28/66/05/313286605.db2.gz MNNAZWWTJSJFAO-UHFFFAOYSA-N 2 1 288.313 2.039 20 0 CEADMP CC(C)N1CC[C@H]([NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C1=O ZINC000530870625 313309145 /nfs/dbraw/zinc/30/91/45/313309145.db2.gz JBANTTPGPWPLGD-INIZCTEOSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C1CCOCC1 ZINC000532474857 313349699 /nfs/dbraw/zinc/34/96/99/313349699.db2.gz PUIFPLKMGQPVHV-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(C2CCC2)CCC1)C1CC1 ZINC000569803807 314014556 /nfs/dbraw/zinc/01/45/56/314014556.db2.gz DMVDJAVXJWOMKV-HNNXBMFYSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(C2CCC2)CCC1)C1CC1 ZINC000569803807 314014560 /nfs/dbraw/zinc/01/45/60/314014560.db2.gz DMVDJAVXJWOMKV-HNNXBMFYSA-N 2 1 266.429 2.002 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000571194017 314076938 /nfs/dbraw/zinc/07/69/38/314076938.db2.gz KNWUSLMAODKQMY-LSDHHAIUSA-N 3 1 267.461 2.085 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000571194015 314077397 /nfs/dbraw/zinc/07/73/97/314077397.db2.gz KNWUSLMAODKQMY-GJZGRUSLSA-N 3 1 267.461 2.085 20 0 CEADMP C[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000571770226 314104893 /nfs/dbraw/zinc/10/48/93/314104893.db2.gz UXACXHGLVCWDQP-VYDXJSESSA-N 2 1 276.424 2.258 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000573134689 314142526 /nfs/dbraw/zinc/14/25/26/314142526.db2.gz QFVMNVNADIDDSS-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@H](C)O ZINC000574151940 314191256 /nfs/dbraw/zinc/19/12/56/314191256.db2.gz XXQQTKJOEXAXJA-KBPBESRZSA-N 2 1 264.413 2.386 20 0 CEADMP CCC[C@@H](C)[C@H](CO)[NH2+]CCCCn1cc[nH+]c1C ZINC000574210271 314197334 /nfs/dbraw/zinc/19/73/34/314197334.db2.gz QTRLWNQDDVOGLV-HIFRSBDPSA-N 2 1 267.417 2.358 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+](CCOC)[C@H](C)c1ccccc1 ZINC000576715157 314304523 /nfs/dbraw/zinc/30/45/23/314304523.db2.gz IXEHUUXOIGNHNW-WBVHZDCISA-N 2 1 294.439 2.009 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](CCOC)[C@H](C)c1ccccc1 ZINC000576715157 314304526 /nfs/dbraw/zinc/30/45/26/314304526.db2.gz IXEHUUXOIGNHNW-WBVHZDCISA-N 2 1 294.439 2.009 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000576924267 314323373 /nfs/dbraw/zinc/32/33/73/314323373.db2.gz NNCYMBNHABJOTP-OLZOCXBDSA-N 2 1 275.396 2.225 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000577214354 314352705 /nfs/dbraw/zinc/35/27/05/314352705.db2.gz DYZYSARMJHWLBY-GFCCVEGCSA-N 2 1 293.411 2.304 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(O)ccc1Br ZINC000579008926 314540276 /nfs/dbraw/zinc/54/02/76/314540276.db2.gz HAEHIJRCRMXIGK-BDAKNGLRSA-N 2 1 287.201 2.370 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000381614974 321835688 /nfs/dbraw/zinc/83/56/88/321835688.db2.gz XBFGEWGUARJVJT-OLZOCXBDSA-N 2 1 299.459 2.362 20 0 CEADMP CCc1nc(C)c([C@H](C)N(C)C[C@H](O)C[N@H+](C)CC)s1 ZINC000580990382 322359703 /nfs/dbraw/zinc/35/97/03/322359703.db2.gz VSYNFCQLCCCMRV-QWHCGFSZSA-N 2 1 299.484 2.319 20 0 CEADMP C[C@@H](O)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000581300957 322384826 /nfs/dbraw/zinc/38/48/26/322384826.db2.gz NKYHQWLBLUVGIP-CVEARBPZSA-N 2 1 276.424 2.259 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)CCC(C)C ZINC000581483402 322399642 /nfs/dbraw/zinc/39/96/42/322399642.db2.gz JZQWEBZVVBOCOV-DZGCQCFKSA-N 2 1 267.417 2.214 20 0 CEADMP CC(C)[NH+](CCC[NH2+]C[C@@H](O)C(F)(F)F)C(C)C ZINC000581879754 322428666 /nfs/dbraw/zinc/42/86/66/322428666.db2.gz YBWOPFIHDJVKAC-LLVKDONJSA-N 2 1 270.339 2.008 20 0 CEADMP C[N@@H+](C[C@@H]1CCCC[C@H]1O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394427896 329119619 /nfs/dbraw/zinc/11/96/19/329119619.db2.gz UTMQTBVESXFHFM-SRXPKIRMSA-N 2 1 266.429 2.095 20 0 CEADMP C[NH+](C[C@@H]1CCCC[C@H]1O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394427896 329119621 /nfs/dbraw/zinc/11/96/21/329119621.db2.gz UTMQTBVESXFHFM-SRXPKIRMSA-N 2 1 266.429 2.095 20 0 CEADMP C(C[N@H+]1CCC2(C1)CCOCC2)C[NH+]1CCCCC1 ZINC000364577450 500571563 /nfs/dbraw/zinc/57/15/63/500571563.db2.gz JFZGLYXSLFSQLA-UHFFFAOYSA-N 2 1 266.429 2.365 20 0 CEADMP C[C@H]([NH2+]CCc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000400428432 533867296 /nfs/dbraw/zinc/86/72/96/533867296.db2.gz ZXSQMQLVKHVWRL-HZMBPMFUSA-N 2 1 254.324 2.237 20 0 CEADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370578428 519764651 /nfs/dbraw/zinc/76/46/51/519764651.db2.gz XXDADWNUXPATGV-IXDOHACOSA-N 2 1 298.471 2.281 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000366349331 521277917 /nfs/dbraw/zinc/27/79/17/521277917.db2.gz VKRSTLXBNJCYRI-YOEHRIQHSA-N 2 1 295.471 2.417 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000274672195 521353755 /nfs/dbraw/zinc/35/37/55/521353755.db2.gz YFRXQZVHYZUTQJ-STQMWFEESA-N 2 1 294.443 2.111 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000163563264 521721060 /nfs/dbraw/zinc/72/10/60/521721060.db2.gz CYGSOQXVSSHILW-OLZOCXBDSA-N 2 1 270.417 2.038 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]([NH+]3CCCC3)C2)c1C ZINC000067227538 521811883 /nfs/dbraw/zinc/81/18/83/521811883.db2.gz QCOHCMLAFGAEHA-HNNXBMFYSA-N 2 1 289.423 2.377 20 0 CEADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000366349000 521954805 /nfs/dbraw/zinc/95/48/05/521954805.db2.gz UDLBMSICECZKST-DZKIICNBSA-N 2 1 295.471 2.273 20 0 CEADMP CC[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)C[C@H](C)O1 ZINC000161789730 523439674 /nfs/dbraw/zinc/43/96/74/523439674.db2.gz FJIBSSDTNLRIIX-DZGCQCFKSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)C[C@H](C)O1 ZINC000161789730 523439679 /nfs/dbraw/zinc/43/96/79/523439679.db2.gz FJIBSSDTNLRIIX-DZGCQCFKSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)n1-c1ccccc1 ZINC000414955852 534743271 /nfs/dbraw/zinc/74/32/71/534743271.db2.gz UUMCDAUGIBKZHN-UKRRQHHQSA-N 2 1 284.407 2.411 20 0 CEADMP C[S@](=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000155524365 525393082 /nfs/dbraw/zinc/39/30/82/525393082.db2.gz FPHLLSJSLQXTHW-BXTJHSDWSA-N 2 1 292.448 2.140 20 0 CEADMP C[S@](=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000155524365 525393086 /nfs/dbraw/zinc/39/30/86/525393086.db2.gz FPHLLSJSLQXTHW-BXTJHSDWSA-N 2 1 292.448 2.140 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(C)s1 ZINC000049506949 525518637 /nfs/dbraw/zinc/51/86/37/525518637.db2.gz YXDWXGAVTBOHCX-GXTWGEPZSA-N 2 1 282.453 2.472 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H]1CCCOC1 ZINC000161726498 527391374 /nfs/dbraw/zinc/39/13/74/527391374.db2.gz UYSXLTVMCWZMRA-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H]1CCCOC1 ZINC000161726498 527391384 /nfs/dbraw/zinc/39/13/84/527391384.db2.gz UYSXLTVMCWZMRA-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP OCCCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000051019885 527535374 /nfs/dbraw/zinc/53/53/74/527535374.db2.gz VYICYMOWZMPUFX-UHFFFAOYSA-N 2 1 254.418 2.099 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCCO2)[C@H](C)C1 ZINC000175723090 527831001 /nfs/dbraw/zinc/83/10/01/527831001.db2.gz GLBLNWGZPKWMCL-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCCO2)[C@H](C)C1 ZINC000175723090 527831007 /nfs/dbraw/zinc/83/10/07/527831007.db2.gz GLBLNWGZPKWMCL-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCCO2)[C@H](C)C1 ZINC000175723090 527831014 /nfs/dbraw/zinc/83/10/14/527831014.db2.gz GLBLNWGZPKWMCL-ILXRZTDVSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000417944713 527955479 /nfs/dbraw/zinc/95/54/79/527955479.db2.gz PWEORURYMZDDCM-HNNXBMFYSA-N 2 1 284.444 2.033 20 0 CEADMP CCCC[C@H](C[NH3+])NC(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000417692668 528940972 /nfs/dbraw/zinc/94/09/72/528940972.db2.gz AOLCDPNMVYNJGJ-CABCVRRESA-N 2 1 298.475 2.068 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[C@@H]2C2CC2)CCCO1 ZINC000348301628 538859116 /nfs/dbraw/zinc/85/91/16/538859116.db2.gz LQJFMKVSNXCWJY-FVQBIDKESA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[C@@H]2C2CC2)CCCO1 ZINC000348301628 538859123 /nfs/dbraw/zinc/85/91/23/538859123.db2.gz LQJFMKVSNXCWJY-FVQBIDKESA-N 2 1 266.429 2.266 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000732280744 574617548 /nfs/dbraw/zinc/61/75/48/574617548.db2.gz GQGBQSUMPVNVOZ-INIZCTEOSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000949011550 614356203 /nfs/dbraw/zinc/35/62/03/614356203.db2.gz ANUCPODVWYQTEH-UHFFFAOYSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000949011550 614356205 /nfs/dbraw/zinc/35/62/05/614356205.db2.gz ANUCPODVWYQTEH-UHFFFAOYSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)CC1(C)C ZINC000974573342 614394481 /nfs/dbraw/zinc/39/44/81/614394481.db2.gz CNEMXQFPGUJLIM-HUUCEWRRSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974573342 614394483 /nfs/dbraw/zinc/39/44/83/614394483.db2.gz CNEMXQFPGUJLIM-HUUCEWRRSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974573342 614394485 /nfs/dbraw/zinc/39/44/85/614394485.db2.gz CNEMXQFPGUJLIM-HUUCEWRRSA-N 2 1 295.471 2.094 20 0 CEADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1C[NH+](CC(C)C)C1 ZINC000950049232 614671082 /nfs/dbraw/zinc/67/10/82/614671082.db2.gz RSHJNQUMXWCMHL-MRXNPFEDSA-N 2 1 295.471 2.048 20 0 CEADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1C[NH+](CC(C)C)C1 ZINC000950049232 614671083 /nfs/dbraw/zinc/67/10/83/614671083.db2.gz RSHJNQUMXWCMHL-MRXNPFEDSA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC000961030776 614857764 /nfs/dbraw/zinc/85/77/64/614857764.db2.gz FTRGQAWXRDPVIJ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000964186503 614881788 /nfs/dbraw/zinc/88/17/88/614881788.db2.gz STEFPHIFRWSSNS-FHERZECASA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH2+]C1CCC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000964186505 614882004 /nfs/dbraw/zinc/88/20/04/614882004.db2.gz STEFPHIFRWSSNS-QQFBHYJXSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000951192917 614993816 /nfs/dbraw/zinc/99/38/16/614993816.db2.gz XZCGDZIBGUDLFM-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CC)CC2)CC[N@H+]1C ZINC000948389549 615583960 /nfs/dbraw/zinc/58/39/60/615583960.db2.gz WTVKFHJZCRWXPC-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](CC)CC2)CC[NH+]1C ZINC000948389549 615583961 /nfs/dbraw/zinc/58/39/61/615583961.db2.gz WTVKFHJZCRWXPC-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CC)CC2)CC[NH+]1C ZINC000948389549 615583962 /nfs/dbraw/zinc/58/39/62/615583962.db2.gz WTVKFHJZCRWXPC-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448162 625558976 /nfs/dbraw/zinc/55/89/76/625558976.db2.gz DROPIJRCVVPHIR-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001024448162 625558982 /nfs/dbraw/zinc/55/89/82/625558982.db2.gz DROPIJRCVVPHIR-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001024448162 625558990 /nfs/dbraw/zinc/55/89/90/625558990.db2.gz DROPIJRCVVPHIR-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932386632 622712804 /nfs/dbraw/zinc/71/28/04/622712804.db2.gz SPPLIQLFXXQYQG-OAHLLOKOSA-N 2 1 256.353 2.099 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843354982 622960436 /nfs/dbraw/zinc/96/04/36/622960436.db2.gz HTIKJJRKEFQWEA-UHFFFAOYSA-N 2 1 275.396 2.347 20 0 CEADMP C[N@H+](CCOCC(F)(F)F)C1(C[NH3+])CCCCC1 ZINC000050088046 623298279 /nfs/dbraw/zinc/29/82/79/623298279.db2.gz BVKPMUGZFNLOTC-UHFFFAOYSA-N 2 1 268.323 2.159 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000846221858 623361964 /nfs/dbraw/zinc/36/19/64/623361964.db2.gz GZMIXYMXYKYDQT-UONOGXRCSA-N 2 1 272.458 2.102 20 0 CEADMP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261809209 623478169 /nfs/dbraw/zinc/47/81/69/623478169.db2.gz ZNNOCONXTSASBA-OCCSQVGLSA-N 2 1 295.377 2.005 20 0 CEADMP CO[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C12CCC2 ZINC000308384891 623675463 /nfs/dbraw/zinc/67/54/63/623675463.db2.gz ZWNFTWDDNAXAHY-KBPBESRZSA-N 2 1 266.429 2.408 20 0 CEADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1OC ZINC000261936413 623678940 /nfs/dbraw/zinc/67/89/40/623678940.db2.gz DHLUZLVSTOWCJQ-UHFFFAOYSA-N 2 1 290.407 2.279 20 0 CEADMP Clc1ccc(CC[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000308462429 623711261 /nfs/dbraw/zinc/71/12/61/623711261.db2.gz SIEIGNRWBFFNNG-JKSUJKDBSA-N 2 1 294.826 2.335 20 0 CEADMP Clc1ccc(CC[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000308462429 623711265 /nfs/dbraw/zinc/71/12/65/623711265.db2.gz SIEIGNRWBFFNNG-JKSUJKDBSA-N 2 1 294.826 2.335 20 0 CEADMP Cc1cc(N)nc(NC[C@H](c2cccc(F)c2)[NH+](C)C)[nH+]1 ZINC000891501463 623748061 /nfs/dbraw/zinc/74/80/61/623748061.db2.gz MPVGXFZHYCJNTC-CYBMUJFWSA-N 2 1 289.358 2.221 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)CCCCCC[NH3+] ZINC000891538911 623770499 /nfs/dbraw/zinc/77/04/99/623770499.db2.gz WQDPDNJHVRDPDM-HNNXBMFYSA-N 2 1 298.475 2.021 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000891630498 623846616 /nfs/dbraw/zinc/84/66/16/623846616.db2.gz IEQSIXKTALXNIY-UHFFFAOYSA-N 2 1 298.475 2.021 20 0 CEADMP CC(C)[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000395799944 623923495 /nfs/dbraw/zinc/92/34/95/623923495.db2.gz ZIPXUWSIMRGFAR-GJZGRUSLSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000395799944 623923499 /nfs/dbraw/zinc/92/34/99/623923499.db2.gz ZIPXUWSIMRGFAR-GJZGRUSLSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000395799944 623923504 /nfs/dbraw/zinc/92/35/04/623923504.db2.gz ZIPXUWSIMRGFAR-GJZGRUSLSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000891746121 623940062 /nfs/dbraw/zinc/94/00/62/623940062.db2.gz PJAZVZIMMCRCFZ-UHFFFAOYSA-N 3 1 281.488 2.380 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CC[C@H]3CC3(Cl)Cl)C[C@]2(C)C1 ZINC000933734175 623983451 /nfs/dbraw/zinc/98/34/51/623983451.db2.gz PUHULTKGTJHSDL-TUAOUCFPSA-N 2 1 277.239 2.454 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](CC[C@H]3CC3(Cl)Cl)C[C@]2(C)C1 ZINC000933734175 623983453 /nfs/dbraw/zinc/98/34/53/623983453.db2.gz PUHULTKGTJHSDL-TUAOUCFPSA-N 2 1 277.239 2.454 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CC[C@H]3CC3(Cl)Cl)C[C@]2(C)C1 ZINC000933734175 623983456 /nfs/dbraw/zinc/98/34/56/623983456.db2.gz PUHULTKGTJHSDL-TUAOUCFPSA-N 2 1 277.239 2.454 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CC[C@H]3CC3(Cl)Cl)C[C@]2(C)C1 ZINC000933734175 623983458 /nfs/dbraw/zinc/98/34/58/623983458.db2.gz PUHULTKGTJHSDL-TUAOUCFPSA-N 2 1 277.239 2.454 20 0 CEADMP C[NH+]1CCC(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)CC1 ZINC000892041407 624272449 /nfs/dbraw/zinc/27/24/49/624272449.db2.gz HOBCGHZFLKRNEE-GOSISDBHSA-N 2 1 288.435 2.310 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2c(F)cc(F)cc2F)C1 ZINC000848719628 624406242 /nfs/dbraw/zinc/40/62/42/624406242.db2.gz AHEXZWGFICRDRX-ZJUUUORDSA-N 2 1 258.287 2.463 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C(F)(F)F)CC1 ZINC000926406046 624547989 /nfs/dbraw/zinc/54/79/89/624547989.db2.gz ABKLKPZYRVFEAQ-ZACCUICWSA-N 2 1 262.319 2.259 20 0 CEADMP CCCNC(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000052042663 624741363 /nfs/dbraw/zinc/74/13/63/624741363.db2.gz RGHOIRQTLGYCQS-UHFFFAOYSA-N 2 1 254.422 2.165 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000161838428 624976693 /nfs/dbraw/zinc/97/66/93/624976693.db2.gz AEIGEQFHYFWVPH-KGLIPLIRSA-N 2 1 260.381 2.223 20 0 CEADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023633298 625085797 /nfs/dbraw/zinc/08/57/97/625085797.db2.gz WFQYCZYGRHWGBY-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023633298 625085803 /nfs/dbraw/zinc/08/58/03/625085803.db2.gz WFQYCZYGRHWGBY-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023633298 625085809 /nfs/dbraw/zinc/08/58/09/625085809.db2.gz WFQYCZYGRHWGBY-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023761994 625202327 /nfs/dbraw/zinc/20/23/27/625202327.db2.gz OOHAEPKWONRQDB-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001023761994 625202330 /nfs/dbraw/zinc/20/23/30/625202330.db2.gz OOHAEPKWONRQDB-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023761994 625202335 /nfs/dbraw/zinc/20/23/35/625202335.db2.gz OOHAEPKWONRQDB-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]([NH2+]Cc1cc[nH]n1)c1cccc(C[NH+](C)C)c1 ZINC000820809683 634535149 /nfs/dbraw/zinc/53/51/49/634535149.db2.gz GKRSWUGJFFRMAK-GFCCVEGCSA-N 2 1 258.369 2.322 20 0 CEADMP CC[C@H](C)[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000820810425 634536497 /nfs/dbraw/zinc/53/64/97/634536497.db2.gz WPPUABLAURXWOF-MKXAEBJUSA-N 2 1 298.471 2.015 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)[C@H]1OC ZINC000892585134 627291714 /nfs/dbraw/zinc/29/17/14/627291714.db2.gz QEROGGYBJKIAHB-YYIAUSFCSA-N 2 1 298.471 2.423 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(F)c(C)c2)C1 ZINC000892668231 627375908 /nfs/dbraw/zinc/37/59/08/627375908.db2.gz JMUUOJWXPKDAIS-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(F)c(C)c2)C1 ZINC000892668231 627375910 /nfs/dbraw/zinc/37/59/10/627375910.db2.gz JMUUOJWXPKDAIS-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(C)c2C2CC2)C1 ZINC000892668500 627376913 /nfs/dbraw/zinc/37/69/13/627376913.db2.gz NARFAMIJNWCWAZ-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(C)c2C2CC2)C1 ZINC000892668500 627376918 /nfs/dbraw/zinc/37/69/18/627376918.db2.gz NARFAMIJNWCWAZ-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(CC)nc2C)C1 ZINC000892668917 627378415 /nfs/dbraw/zinc/37/84/15/627378415.db2.gz UHGOKXMPDUSHBP-CQSZACIVSA-N 2 1 264.417 2.033 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(CC)nc2C)C1 ZINC000892668917 627378424 /nfs/dbraw/zinc/37/84/24/627378424.db2.gz UHGOKXMPDUSHBP-CQSZACIVSA-N 2 1 264.417 2.033 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cn3ccsc3n2)C1 ZINC000902316282 634580176 /nfs/dbraw/zinc/58/01/76/634580176.db2.gz BOOIYVISNCTXCW-NSHDSACASA-N 2 1 278.425 2.264 20 0 CEADMP C[C@@H](COCC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892683258 627644042 /nfs/dbraw/zinc/64/40/42/627644042.db2.gz ILQUXMDDTNKCOB-YEJSDXFRSA-N 2 1 280.334 2.169 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902331404 634592574 /nfs/dbraw/zinc/59/25/74/634592574.db2.gz SGUYIEARTCDUEG-PMPSAXMXSA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)CCCC[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000892879704 627829880 /nfs/dbraw/zinc/82/98/80/627829880.db2.gz PLFZOVLDVQZACB-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP CCOc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)o1 ZINC000892951941 627890382 /nfs/dbraw/zinc/89/03/82/627890382.db2.gz TUAPLVNZMIJDQF-CQSZACIVSA-N 2 1 296.411 2.005 20 0 CEADMP COc1nccc(C[NH2+]CCCCn2cc[nH+]c2C)c1F ZINC000893028366 627953983 /nfs/dbraw/zinc/95/39/83/627953983.db2.gz GAJZSBRNACTCQZ-UHFFFAOYSA-N 2 1 292.358 2.304 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902364607 634619435 /nfs/dbraw/zinc/61/94/35/634619435.db2.gz TVWMDIRYCGQOSD-LSDHHAIUSA-N 3 1 267.461 2.086 20 0 CEADMP CCC[N@@H+]1CC[C@@H](CN[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902364607 634619438 /nfs/dbraw/zinc/61/94/38/634619438.db2.gz TVWMDIRYCGQOSD-LSDHHAIUSA-N 2 1 267.461 2.086 20 0 CEADMP CCC[N@H+]1CC[C@@H](CN[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902364607 634619441 /nfs/dbraw/zinc/61/94/41/634619441.db2.gz TVWMDIRYCGQOSD-LSDHHAIUSA-N 2 1 267.461 2.086 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925509408 628030604 /nfs/dbraw/zinc/03/06/04/628030604.db2.gz NACWLGUUWSILAG-BRWVUGGUSA-N 2 1 279.472 2.229 20 0 CEADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925509408 628030612 /nfs/dbraw/zinc/03/06/12/628030612.db2.gz NACWLGUUWSILAG-BRWVUGGUSA-N 2 1 279.472 2.229 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+][C@H](C)CC[S@](C)=O)CC1 ZINC000925522102 628078908 /nfs/dbraw/zinc/07/89/08/628078908.db2.gz QZTQSPZGIAQFPJ-KUHUBIRLSA-N 2 1 288.501 2.244 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@H]1CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384228 634628035 /nfs/dbraw/zinc/62/80/35/634628035.db2.gz OUEVJBPVBDJITE-LSDHHAIUSA-N 2 1 281.488 2.475 20 0 CEADMP CN1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384228 634628036 /nfs/dbraw/zinc/62/80/36/634628036.db2.gz OUEVJBPVBDJITE-LSDHHAIUSA-N 2 1 281.488 2.475 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384225 634628094 /nfs/dbraw/zinc/62/80/94/634628094.db2.gz OUEVJBPVBDJITE-CABCVRRESA-N 2 1 281.488 2.475 20 0 CEADMP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384225 634628098 /nfs/dbraw/zinc/62/80/98/634628098.db2.gz OUEVJBPVBDJITE-CABCVRRESA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H](CNC(=[NH2+])NC1CCCCCC1)[N@@H+](C)C1CC1 ZINC000092278044 628095249 /nfs/dbraw/zinc/09/52/49/628095249.db2.gz WCCGQDFHPPUNCG-GFCCVEGCSA-N 2 1 266.433 2.096 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H](NCc2ccc3c[nH+]cn3c2)C1 ZINC000902390268 634630569 /nfs/dbraw/zinc/63/05/69/634630569.db2.gz IQCZVANFEVMMJK-CQSZACIVSA-N 2 1 272.396 2.202 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000925536721 628144291 /nfs/dbraw/zinc/14/42/91/628144291.db2.gz QQYZYJKZLHQTKW-WMLDXEAASA-N 2 1 284.407 2.145 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000902394783 634634682 /nfs/dbraw/zinc/63/46/82/634634682.db2.gz BVGSEQMTKAHORR-DLBZAZTESA-N 3 1 293.499 2.476 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000902394783 634634684 /nfs/dbraw/zinc/63/46/84/634634684.db2.gz BVGSEQMTKAHORR-DLBZAZTESA-N 2 1 293.499 2.476 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000902394783 634634687 /nfs/dbraw/zinc/63/46/87/634634687.db2.gz BVGSEQMTKAHORR-DLBZAZTESA-N 2 1 293.499 2.476 20 0 CEADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCO1 ZINC000893256000 628191353 /nfs/dbraw/zinc/19/13/53/628191353.db2.gz PBIKFJDFTBGVKB-OLMTUDMXSA-N 2 1 252.402 2.159 20 0 CEADMP CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000312317520 628225908 /nfs/dbraw/zinc/22/59/08/628225908.db2.gz GTMUCQJTADXCLB-VXGBXAGGSA-N 2 1 294.361 2.106 20 0 CEADMP CC1(C)[C@H](C(F)(F)F)CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000312317520 628225912 /nfs/dbraw/zinc/22/59/12/628225912.db2.gz GTMUCQJTADXCLB-VXGBXAGGSA-N 2 1 294.361 2.106 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000925560480 628228886 /nfs/dbraw/zinc/22/88/86/628228886.db2.gz MHDJBOCNZMUMKM-QGPPMGRFSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H]([NH3+])[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccccc1 ZINC000925577740 628253527 /nfs/dbraw/zinc/25/35/27/628253527.db2.gz QHTCVWBKTJFKLD-XJKSGUPXSA-N 2 1 272.396 2.031 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925578526 628255957 /nfs/dbraw/zinc/25/59/57/628255957.db2.gz WPHZPKYVDFPYFG-BFHYXJOUSA-N 2 1 255.450 2.212 20 0 CEADMP CC[C@H](C)N(C)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925578526 628255960 /nfs/dbraw/zinc/25/59/60/628255960.db2.gz WPHZPKYVDFPYFG-BFHYXJOUSA-N 2 1 255.450 2.212 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(-n2cccn2)cc1 ZINC000902416647 634642432 /nfs/dbraw/zinc/64/24/32/634642432.db2.gz VKEHBJQLBSNYHY-LBPRGKRZSA-N 2 1 256.353 2.014 20 0 CEADMP COc1nc(C)cc(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925608876 628290011 /nfs/dbraw/zinc/29/00/11/628290011.db2.gz LGZQUIQEGFPBHB-KBPBESRZSA-N 2 1 275.396 2.067 20 0 CEADMP C[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)N1CCCCC1 ZINC000925611149 628293976 /nfs/dbraw/zinc/29/39/76/628293976.db2.gz APZCYIOOWKHRCI-WCVJEAGWSA-N 2 1 279.472 2.227 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925621217 628312291 /nfs/dbraw/zinc/31/22/91/628312291.db2.gz CXZBWCIYDANGPC-GJZGRUSLSA-N 2 1 268.445 2.438 20 0 CEADMP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925628655 628324018 /nfs/dbraw/zinc/32/40/18/628324018.db2.gz FUZMUEQLLTWZGO-INIZCTEOSA-N 2 1 290.455 2.234 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000925651359 628356744 /nfs/dbraw/zinc/35/67/44/628356744.db2.gz BEZRDDVDWUJHJX-HLLBOEOZSA-N 2 1 292.398 2.022 20 0 CEADMP C1CCC([C@H]2C[NH2+]CC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000925693215 628512809 /nfs/dbraw/zinc/51/28/09/628512809.db2.gz QAWQPPVRIWWYLL-PFUJJPPESA-N 3 1 277.456 2.027 20 0 CEADMP C[NH+]1C[C@@]2(C)C[NH+](CCC3CCOCC3)C[C@]2(C)C1 ZINC000931314381 628515933 /nfs/dbraw/zinc/51/59/33/628515933.db2.gz NHHRJPGCJBOTSS-HOTGVXAUSA-N 2 1 266.429 2.077 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@]3(C)CN(C)C[C@@]3(C)C2)C[C@H](C)O1 ZINC000931315976 628516518 /nfs/dbraw/zinc/51/65/18/628516518.db2.gz FFDOMHBQZRSGBA-JGAFCMAOSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C[C@H](C)O1 ZINC000931315976 628516519 /nfs/dbraw/zinc/51/65/19/628516519.db2.gz FFDOMHBQZRSGBA-JGAFCMAOSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C[C@H](C)O1 ZINC000931315976 628516520 /nfs/dbraw/zinc/51/65/20/628516520.db2.gz FFDOMHBQZRSGBA-JGAFCMAOSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)C[C@H](C)O1 ZINC000931315976 628516521 /nfs/dbraw/zinc/51/65/21/628516521.db2.gz FFDOMHBQZRSGBA-JGAFCMAOSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)C[C@H](C)O1 ZINC000931315976 628516522 /nfs/dbraw/zinc/51/65/22/628516522.db2.gz FFDOMHBQZRSGBA-JGAFCMAOSA-N 2 1 280.456 2.464 20 0 CEADMP c1cc([C@@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C34CCC4)CCO2)ccn1 ZINC000925694234 628516530 /nfs/dbraw/zinc/51/65/30/628516530.db2.gz UAVQLYNFFQOHMH-PMPSAXMXSA-N 2 1 287.407 2.176 20 0 CEADMP C[N@@H+]1C[C@@]2(C)CN(C[C@@H]3C[C@@H]4CCC[C@H]4O3)C[C@@]2(C)C1 ZINC000931319183 628520395 /nfs/dbraw/zinc/52/03/95/628520395.db2.gz XKASVSKSVYRVNS-ZOFXXKQRSA-N 2 1 278.440 2.218 20 0 CEADMP C[N@H+]1C[C@@]2(C)CN(C[C@@H]3C[C@@H]4CCC[C@H]4O3)C[C@@]2(C)C1 ZINC000931319183 628520396 /nfs/dbraw/zinc/52/03/96/628520396.db2.gz XKASVSKSVYRVNS-ZOFXXKQRSA-N 2 1 278.440 2.218 20 0 CEADMP C[NH+](C)C1(C)CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000931352656 628537010 /nfs/dbraw/zinc/53/70/10/628537010.db2.gz PCSVGQJYOLOYTA-INIZCTEOSA-N 2 1 294.414 2.145 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925708251 628555968 /nfs/dbraw/zinc/55/59/68/628555968.db2.gz RGIKNLRITYOOBL-BBWFWOEESA-N 2 1 279.472 2.229 20 0 CEADMP CCCN1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925708251 628555970 /nfs/dbraw/zinc/55/59/70/628555970.db2.gz RGIKNLRITYOOBL-BBWFWOEESA-N 2 1 279.472 2.229 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000925711838 628562395 /nfs/dbraw/zinc/56/23/95/628562395.db2.gz SPKGIKRXQLKFTI-CVEARBPZSA-N 2 1 264.413 2.043 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cnn(CCF)c1 ZINC000902447632 634670625 /nfs/dbraw/zinc/67/06/25/634670625.db2.gz UMQYQCYBUZJKHR-UKRRQHHQSA-N 2 1 282.407 2.253 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000925729099 628656794 /nfs/dbraw/zinc/65/67/94/628656794.db2.gz IEGMZFBKRGUKQC-WHOFXGATSA-N 2 1 282.815 2.146 20 0 CEADMP CC(C)([NH3+])CC[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000925739350 628700982 /nfs/dbraw/zinc/70/09/82/628700982.db2.gz WFKHJCAYCJWBBG-OAHLLOKOSA-N 2 1 270.380 2.283 20 0 CEADMP CC[C@@H](c1cnn(C)c1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925755535 628731473 /nfs/dbraw/zinc/73/14/73/628731473.db2.gz FMVKKCXKZZYJAA-ZDUSSCGKSA-N 2 1 250.390 2.075 20 0 CEADMP C[N@@H+](CCc1ccccc1F)CC1CC[NH2+]CC1 ZINC000258942730 628785093 /nfs/dbraw/zinc/78/50/93/628785093.db2.gz HYXDQLPGQVPMAP-UHFFFAOYSA-N 2 1 250.361 2.300 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000094371400 628834464 /nfs/dbraw/zinc/83/44/64/628834464.db2.gz VGFYCTPFBNVJFQ-CABCVRRESA-N 2 1 284.444 2.035 20 0 CEADMP COc1cc(Br)cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000925828901 628919964 /nfs/dbraw/zinc/91/99/64/628919964.db2.gz JTPACKDSVBHMNQ-STQMWFEESA-N 2 1 299.212 2.427 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925828702 628920083 /nfs/dbraw/zinc/92/00/83/628920083.db2.gz HPYMUYUCLHYMIW-USZNOCQGSA-N 2 1 280.334 2.217 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000925835740 628933343 /nfs/dbraw/zinc/93/33/43/628933343.db2.gz UCSBQTVCMFSVDI-JHJVBQTASA-N 2 1 293.377 2.133 20 0 CEADMP COCC[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000447344431 628990528 /nfs/dbraw/zinc/99/05/28/628990528.db2.gz YNFRMKRJKVBLDJ-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP C([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)[C@@H]1CCCCC[NH2+]1 ZINC000902484526 634701470 /nfs/dbraw/zinc/70/14/70/634701470.db2.gz WCRNJOCUWVJGKE-REWJHTLYSA-N 2 1 286.510 2.488 20 0 CEADMP CO[C@]1(C(F)(F)F)CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000893874601 629026016 /nfs/dbraw/zinc/02/60/16/629026016.db2.gz KGOCVUPASAAHNE-CYBMUJFWSA-N 2 1 294.361 2.372 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902486658 634703051 /nfs/dbraw/zinc/70/30/51/634703051.db2.gz RIOFZKQVBTXFQU-VDHUWJSZSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000902486658 634703055 /nfs/dbraw/zinc/70/30/55/634703055.db2.gz RIOFZKQVBTXFQU-VDHUWJSZSA-N 2 1 287.451 2.224 20 0 CEADMP CCn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)n1 ZINC000894097807 629123550 /nfs/dbraw/zinc/12/35/50/629123550.db2.gz QIAWZYSCFIUEJN-IYBDPMFKSA-N 2 1 296.418 2.221 20 0 CEADMP CCn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)n1 ZINC000894097807 629123552 /nfs/dbraw/zinc/12/35/52/629123552.db2.gz QIAWZYSCFIUEJN-IYBDPMFKSA-N 2 1 296.418 2.221 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000924875351 629151508 /nfs/dbraw/zinc/15/15/08/629151508.db2.gz YVMYTTMDRLUOGR-HUUCEWRRSA-N 2 1 265.401 2.112 20 0 CEADMP CC(=O)OC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894133427 629157428 /nfs/dbraw/zinc/15/74/28/629157428.db2.gz AQDLKQZOOVIRFD-RHSMWYFYSA-N 2 1 290.407 2.050 20 0 CEADMP Cc1noc2ncc(C[NH2+]C[C@@H](C)C[NH+]3CCCC3)cc12 ZINC000894192914 629200075 /nfs/dbraw/zinc/20/00/75/629200075.db2.gz KIROVNFFRHSXKL-GFCCVEGCSA-N 2 1 288.395 2.353 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2COCC2(C)C)cn1 ZINC000894197402 629201824 /nfs/dbraw/zinc/20/18/24/629201824.db2.gz SWMQRWGGIDZLPM-AWEZNQCLSA-N 2 1 286.379 2.090 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000878166897 629223306 /nfs/dbraw/zinc/22/33/06/629223306.db2.gz JCHCVJIPNGJOBY-GJZGRUSLSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000878166897 629223308 /nfs/dbraw/zinc/22/33/08/629223308.db2.gz JCHCVJIPNGJOBY-GJZGRUSLSA-N 2 1 268.445 2.465 20 0 CEADMP CCCSC[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000894253344 629261855 /nfs/dbraw/zinc/26/18/55/629261855.db2.gz IRMAENUQRDISEI-CQSZACIVSA-N 2 1 287.517 2.134 20 0 CEADMP C[C@H]1C[N@H+](Cc2scnc2C2CC2)CC[C@@H]1[NH3+] ZINC000261921861 629321839 /nfs/dbraw/zinc/32/18/39/629321839.db2.gz KOXVDNANORFJPP-ONGXEEELSA-N 2 1 251.399 2.190 20 0 CEADMP C[C@H]1C[N@@H+](Cc2scnc2C2CC2)CC[C@@H]1[NH3+] ZINC000261921861 629321841 /nfs/dbraw/zinc/32/18/41/629321841.db2.gz KOXVDNANORFJPP-ONGXEEELSA-N 2 1 251.399 2.190 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000261975070 629407478 /nfs/dbraw/zinc/40/74/78/629407478.db2.gz QQTOGCRVJBGUDS-YPMHNXCESA-N 2 1 266.360 2.394 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000261975070 629407481 /nfs/dbraw/zinc/40/74/81/629407481.db2.gz QQTOGCRVJBGUDS-YPMHNXCESA-N 2 1 266.360 2.394 20 0 CEADMP CN(CCC[N@@H+](C)CC1CC[NH+](C)CC1)Cc1ccco1 ZINC000894434804 629460405 /nfs/dbraw/zinc/46/04/05/629460405.db2.gz GWTLXSWZRQNWET-UHFFFAOYSA-N 2 1 293.455 2.375 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNCc2cnn(C)c2C2CC2)C1 ZINC000894458384 629472410 /nfs/dbraw/zinc/47/24/10/629472410.db2.gz SQKADGZJAIPCTI-ZDUSSCGKSA-N 2 1 276.428 2.117 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(C)c2C2CC2)C1 ZINC000894458384 629472413 /nfs/dbraw/zinc/47/24/13/629472413.db2.gz SQKADGZJAIPCTI-ZDUSSCGKSA-N 2 1 276.428 2.117 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(C)c2C2CC2)C1 ZINC000894458384 629472418 /nfs/dbraw/zinc/47/24/18/629472418.db2.gz SQKADGZJAIPCTI-ZDUSSCGKSA-N 2 1 276.428 2.117 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000894555827 629524963 /nfs/dbraw/zinc/52/49/63/629524963.db2.gz OIPACJPZHFLAME-UHFFFAOYSA-N 2 1 276.428 2.184 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)CC1 ZINC000894553475 629530869 /nfs/dbraw/zinc/53/08/69/629530869.db2.gz QPUCCBDLZZXRTP-HZPDHXFCSA-N 2 1 278.440 2.362 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894783581 629640112 /nfs/dbraw/zinc/64/01/12/629640112.db2.gz VZPQPMSYZPMHPK-NHYWBVRUSA-N 2 1 288.395 2.041 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894783581 629640116 /nfs/dbraw/zinc/64/01/16/629640116.db2.gz VZPQPMSYZPMHPK-NHYWBVRUSA-N 2 1 288.395 2.041 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894783581 629640120 /nfs/dbraw/zinc/64/01/20/629640120.db2.gz VZPQPMSYZPMHPK-NHYWBVRUSA-N 2 1 288.395 2.041 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894783581 629640125 /nfs/dbraw/zinc/64/01/25/629640125.db2.gz VZPQPMSYZPMHPK-NHYWBVRUSA-N 2 1 288.395 2.041 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000894807063 629651843 /nfs/dbraw/zinc/65/18/43/629651843.db2.gz OXTZJQPURVHFGW-UHFFFAOYSA-N 2 1 265.376 2.493 20 0 CEADMP Cn1ncc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1C1CC1 ZINC000894806743 629651859 /nfs/dbraw/zinc/65/18/59/629651859.db2.gz JZARSWXFGLEIJO-UHFFFAOYSA-N 2 1 276.428 2.262 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928437683 629664079 /nfs/dbraw/zinc/66/40/79/629664079.db2.gz CPPHIXXTKOZVEY-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCc1onc(C)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000894860919 629698750 /nfs/dbraw/zinc/69/87/50/629698750.db2.gz KWNBEJHYJPHJHV-ZDUSSCGKSA-N 2 1 265.401 2.367 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)n(C)n1 ZINC000793527258 629898193 /nfs/dbraw/zinc/89/81/93/629898193.db2.gz PJFSLUGSTDLBOD-HUUCEWRRSA-N 2 1 278.444 2.500 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)n(C)n1 ZINC000793527258 629898201 /nfs/dbraw/zinc/89/82/01/629898201.db2.gz PJFSLUGSTDLBOD-HUUCEWRRSA-N 2 1 278.444 2.500 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000796835282 630029310 /nfs/dbraw/zinc/02/93/10/630029310.db2.gz KTJBJIADFQUSCJ-JXQTWKCFSA-N 2 1 262.401 2.250 20 0 CEADMP C[C@@H](CC[NH2+]Cc1ccc2nccnc2c1)[NH+](C)C ZINC000895290529 630083503 /nfs/dbraw/zinc/08/35/03/630083503.db2.gz KQKDSGOSQFIUSR-LBPRGKRZSA-N 2 1 258.369 2.060 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895293439 630085257 /nfs/dbraw/zinc/08/52/57/630085257.db2.gz LPXPTKIZHZUIGX-GFCCVEGCSA-N 2 1 252.406 2.202 20 0 CEADMP Cc1ccc([C@H](O)[C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000797065358 630122286 /nfs/dbraw/zinc/12/22/86/630122286.db2.gz WMNOPQDCODMPJG-CZUORRHYSA-N 2 1 262.397 2.101 20 0 CEADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895378645 630150062 /nfs/dbraw/zinc/15/00/62/630150062.db2.gz RJXAYHQYKOHWGZ-CZUORRHYSA-N 2 1 278.444 2.281 20 0 CEADMP Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895378645 630150066 /nfs/dbraw/zinc/15/00/66/630150066.db2.gz RJXAYHQYKOHWGZ-CZUORRHYSA-N 2 1 278.444 2.281 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C)[C@@H]1CCOC1 ZINC000895381671 630153092 /nfs/dbraw/zinc/15/30/92/630153092.db2.gz VFXVMQFFZUWLFA-QBPKDAKJSA-N 2 1 298.471 2.090 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccn2C)CCN1c1cc[nH+]cc1 ZINC000895556065 630247872 /nfs/dbraw/zinc/24/78/72/630247872.db2.gz GIGRSWYQAIVGDN-AWEZNQCLSA-N 2 1 270.380 2.131 20 0 CEADMP C[C@@H]1[C@H](Nc2ccncc2C(F)(F)F)CC[N@H+]1C ZINC000895734449 630324597 /nfs/dbraw/zinc/32/45/97/630324597.db2.gz MUHRBXAQBDTOGO-PSASIEDQSA-N 2 1 259.275 2.027 20 0 CEADMP C[C@@H]1[C@H](Nc2cc[nH+]cc2C(F)(F)F)CC[N@@H+]1C ZINC000895734449 630324601 /nfs/dbraw/zinc/32/46/01/630324601.db2.gz MUHRBXAQBDTOGO-PSASIEDQSA-N 2 1 259.275 2.027 20 0 CEADMP C[C@@H]1[C@H](Nc2cc[nH+]cc2C(F)(F)F)CC[N@H+]1C ZINC000895734449 630324605 /nfs/dbraw/zinc/32/46/05/630324605.db2.gz MUHRBXAQBDTOGO-PSASIEDQSA-N 2 1 259.275 2.027 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cn(C)nn1 ZINC000902747753 634807451 /nfs/dbraw/zinc/80/74/51/634807451.db2.gz IAXVUHWICSMOTQ-ZIAGYGMSSA-N 2 1 279.432 2.120 20 0 CEADMP CC1([NH+]2CCCC2)CCC([NH2+]Cc2csnn2)CC1 ZINC000896391726 630550788 /nfs/dbraw/zinc/55/07/88/630550788.db2.gz NMVLRBCFEOGLOV-UHFFFAOYSA-N 2 1 280.441 2.425 20 0 CEADMP C[C@@H]1CC[C@@H](CN)[N@@H+](CCCCCCC[NH3+])[C@H]1C ZINC000883445790 630610585 /nfs/dbraw/zinc/61/05/85/630610585.db2.gz LHEMXJMUXKGDNS-ILXRZTDVSA-N 2 1 255.450 2.343 20 0 CEADMP CC[C@@](C)(C[NH2+][C@@H](CCN(C)C)c1cccnc1)OC ZINC000896716774 630647928 /nfs/dbraw/zinc/64/79/28/630647928.db2.gz LKQVRCMSXFFXCS-HOTGVXAUSA-N 2 1 279.428 2.479 20 0 CEADMP CN(C)CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccnc1 ZINC000896717550 630648725 /nfs/dbraw/zinc/64/87/25/630648725.db2.gz SBHWSSGMSLSXTI-QGZVFWFLSA-N 2 1 290.455 2.006 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925137790 630754331 /nfs/dbraw/zinc/75/43/31/630754331.db2.gz ALXMMGFQELOXBD-YCPHGPKFSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925137790 630754332 /nfs/dbraw/zinc/75/43/32/630754332.db2.gz ALXMMGFQELOXBD-YCPHGPKFSA-N 2 1 299.422 2.401 20 0 CEADMP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000897158301 630967526 /nfs/dbraw/zinc/96/75/26/630967526.db2.gz ZDRHBABWWXBUFB-NRXISQOPSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)OCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178134 630991878 /nfs/dbraw/zinc/99/18/78/630991878.db2.gz MUCGSFKTHOGYNF-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP Cc1ccnc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000799176743 630991957 /nfs/dbraw/zinc/99/19/57/630991957.db2.gz BBPBPRVYZPDMDS-UHFFFAOYSA-N 2 1 274.412 2.093 20 0 CEADMP Cc1ccnc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000799176743 630991958 /nfs/dbraw/zinc/99/19/58/630991958.db2.gz BBPBPRVYZPDMDS-UHFFFAOYSA-N 2 1 274.412 2.093 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2ccccn2)C1 ZINC000799196548 630996856 /nfs/dbraw/zinc/99/68/56/630996856.db2.gz TVILBWKAUDILTQ-GJZGRUSLSA-N 2 1 259.397 2.355 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799196548 630996861 /nfs/dbraw/zinc/99/68/61/630996861.db2.gz TVILBWKAUDILTQ-GJZGRUSLSA-N 2 1 259.397 2.355 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799196548 630996864 /nfs/dbraw/zinc/99/68/64/630996864.db2.gz TVILBWKAUDILTQ-GJZGRUSLSA-N 2 1 259.397 2.355 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904301157 635554359 /nfs/dbraw/zinc/55/43/59/635554359.db2.gz HXRADQQJXZYYCA-IUODEOHRSA-N 2 1 260.381 2.181 20 0 CEADMP CC(C)OC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000800239044 631100886 /nfs/dbraw/zinc/10/08/86/631100886.db2.gz COIAYFXPFWQEDJ-ZBFHGGJFSA-N 2 1 284.444 2.033 20 0 CEADMP c1ccc2c(c1)C=C(C[N@H+]1C[C@@H]3CC[NH2+]C[C@@H]3C1)CO2 ZINC000904420890 635632604 /nfs/dbraw/zinc/63/26/04/635632604.db2.gz XLBHIGUKLULFJU-JKSUJKDBSA-N 2 1 270.376 2.004 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CCO)C2CCCC2)CC1(C)C ZINC000897881792 631959024 /nfs/dbraw/zinc/95/90/24/631959024.db2.gz ALYOGGIHNHDLFE-GJZGRUSLSA-N 2 1 268.445 2.390 20 0 CEADMP C[NH+](C)[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)C1(C)C ZINC000898101011 632063979 /nfs/dbraw/zinc/06/39/79/632063979.db2.gz FKBGULIANMICGK-SOUVJXGZSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1ncccc1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000898252118 632123120 /nfs/dbraw/zinc/12/31/20/632123120.db2.gz YMJXQXULOHAOST-HNNXBMFYSA-N 2 1 261.413 2.395 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@H]1CCF)C[NH+](C)C ZINC000926957361 632384334 /nfs/dbraw/zinc/38/43/34/632384334.db2.gz AIZYJHZAAJPBSJ-BFHYXJOUSA-N 2 1 260.397 2.071 20 0 CEADMP CCO[C@@H](C[NH2+][C@H]1CCCC12CCC2)C[NH+](C)C ZINC000926959999 632386663 /nfs/dbraw/zinc/38/66/63/632386663.db2.gz LOXUNYIEGWBLKT-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)[C@@H](C)C1 ZINC000926964121 632392428 /nfs/dbraw/zinc/39/24/28/632392428.db2.gz QHYCMYFPAXJXIS-AVGNSLFASA-N 2 1 295.393 2.189 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCCC2(CC2)C1)C[NH+](C)C ZINC000926964029 632393013 /nfs/dbraw/zinc/39/30/13/632393013.db2.gz PENKIOHZLQVVFJ-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000924689152 632419677 /nfs/dbraw/zinc/41/96/77/632419677.db2.gz WYWNRIVLHAIYKU-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cc(CO)on1 ZINC000924688211 632420303 /nfs/dbraw/zinc/42/03/03/632420303.db2.gz RQGHYBRKPLDHEH-ZIAGYGMSSA-N 2 1 295.427 2.330 20 0 CEADMP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000924705266 632440220 /nfs/dbraw/zinc/44/02/20/632440220.db2.gz KZLAPNXFSXLBQY-RBSFLKMASA-N 2 1 256.434 2.248 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H](Cn2ccnc2)C(C)(C)C)c2ncnn21 ZINC000924731330 632479701 /nfs/dbraw/zinc/47/97/01/632479701.db2.gz UAZBHFHPQJSNFX-JHJVBQTASA-N 2 1 288.399 2.185 20 0 CEADMP C(COC1CCSCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000898439769 632493050 /nfs/dbraw/zinc/49/30/50/632493050.db2.gz MEIJPLAAVPNUBQ-ZIAGYGMSSA-N 2 1 284.469 2.115 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCOC2CCSCC2)[C@H](C)C1 ZINC000898440547 632493941 /nfs/dbraw/zinc/49/39/41/632493941.db2.gz RZBUQCNSDYIVBG-UKRRQHHQSA-N 2 1 286.485 2.219 20 0 CEADMP C[C@@H](CNC(=[NH2+])N[C@@H](C)C1CC1)[N@H+]1CCCC[C@@H]1C ZINC000899266942 632762307 /nfs/dbraw/zinc/76/23/07/632762307.db2.gz ZNJKEHVVYBVEME-AVGNSLFASA-N 2 1 266.433 2.162 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C(C)(C)CO ZINC000924754394 632784496 /nfs/dbraw/zinc/78/44/96/632784496.db2.gz SYJZXVFZUXOITP-KBPBESRZSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C(C)(C)CO ZINC000924754394 632784497 /nfs/dbraw/zinc/78/44/97/632784497.db2.gz SYJZXVFZUXOITP-KBPBESRZSA-N 2 1 270.461 2.494 20 0 CEADMP Cn1ncc(-c2cccc(C[N@@H+](C)C3CC3)c2)c1C[NH3+] ZINC000899325606 632789918 /nfs/dbraw/zinc/78/99/18/632789918.db2.gz XDRQBNQIZDWLRI-UHFFFAOYSA-N 2 1 270.380 2.140 20 0 CEADMP CCc1nc(N[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc(C)[nH+]1 ZINC000900020432 633184784 /nfs/dbraw/zinc/18/47/84/633184784.db2.gz OGEPNJKIFRRBGE-CZUORRHYSA-N 2 1 268.364 2.384 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)c1ccccc1C)[C@@H]1CCC[NH2+]1 ZINC000817890566 633753297 /nfs/dbraw/zinc/75/32/97/633753297.db2.gz UJKNLNLRKOJRHT-JYJNAYRXSA-N 2 1 262.397 2.149 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000817891903 633754078 /nfs/dbraw/zinc/75/40/78/633754078.db2.gz PKNYLEXTXYHWPS-YCPHGPKFSA-N 2 1 274.408 2.358 20 0 CEADMP Cc1noc(C)c1CCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000817899868 633760337 /nfs/dbraw/zinc/76/03/37/633760337.db2.gz QOSYIKPFEMZQSE-WFASDCNBSA-N 2 1 265.401 2.344 20 0 CEADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000817904658 633764811 /nfs/dbraw/zinc/76/48/11/633764811.db2.gz FSMQSBNLNHIGML-KOZAUXTDSA-N 2 1 280.387 2.368 20 0 CEADMP Cc1cccc(OCCC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000817906858 633765880 /nfs/dbraw/zinc/76/58/80/633765880.db2.gz FJDUKIPLTPTFHY-ZBFHGGJFSA-N 2 1 262.397 2.494 20 0 CEADMP C[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817917560 633775582 /nfs/dbraw/zinc/77/55/82/633775582.db2.gz OJCOMWVZOCYUJI-CWRNSKLLSA-N 2 1 274.408 2.230 20 0 CEADMP C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1c[nH+]ccc1N ZINC000817918579 633776472 /nfs/dbraw/zinc/77/64/72/633776472.db2.gz WGKQLQGALPDATF-BDJLRTHQSA-N 2 1 289.354 2.192 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000817936375 633783841 /nfs/dbraw/zinc/78/38/41/633783841.db2.gz JWVPHRKXUHHQHB-LPEHRKFASA-N 2 1 251.201 2.300 20 0 CEADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)no1 ZINC000817949490 633794454 /nfs/dbraw/zinc/79/44/54/633794454.db2.gz RNUPTRFPYRRAFV-LBPRGKRZSA-N 2 1 259.353 2.335 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+]2C(C)(C)C)C[C@H]1C ZINC000900797881 633855485 /nfs/dbraw/zinc/85/54/85/633855485.db2.gz BPGUIJACVBKXIA-ILXRZTDVSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C[C@H]1C ZINC000900797881 633855492 /nfs/dbraw/zinc/85/54/92/633855492.db2.gz BPGUIJACVBKXIA-ILXRZTDVSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C[C@H]1C ZINC000900797881 633855500 /nfs/dbraw/zinc/85/55/00/633855500.db2.gz BPGUIJACVBKXIA-ILXRZTDVSA-N 2 1 295.471 2.190 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)c1ccccc1 ZINC000818966582 634019759 /nfs/dbraw/zinc/01/97/59/634019759.db2.gz SSJBFTXCIMONOT-CJNGLKHVSA-N 2 1 273.380 2.151 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000818973126 634023292 /nfs/dbraw/zinc/02/32/92/634023292.db2.gz RTYPTVOPNMGNPG-RHSMWYFYSA-N 2 1 274.408 2.102 20 0 CEADMP CC(C)[NH+](CCC[NH2+]C[C@@H](O)c1ccc(F)cn1)C(C)C ZINC000819126753 634075934 /nfs/dbraw/zinc/07/59/34/634075934.db2.gz RDFXRMWHOZAIKS-MRXNPFEDSA-N 2 1 297.418 2.353 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000819366730 634157190 /nfs/dbraw/zinc/15/71/90/634157190.db2.gz UCMZMBAFFMWSEK-WBVHZDCISA-N 2 1 276.424 2.350 20 0 CEADMP CS[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000822456150 634921946 /nfs/dbraw/zinc/92/19/46/634921946.db2.gz PJSYXBRSWWLTDZ-QLFBSQMISA-N 2 1 284.469 2.113 20 0 CEADMP CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000903075365 634958004 /nfs/dbraw/zinc/95/80/04/634958004.db2.gz UPDOSVZAHNXHCM-HUUCEWRRSA-N 2 1 286.379 2.233 20 0 CEADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903110213 634973576 /nfs/dbraw/zinc/97/35/76/634973576.db2.gz AXNBLOVVSWZDBS-CTXVKJAYSA-N 2 1 289.467 2.217 20 0 CEADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903110213 634973578 /nfs/dbraw/zinc/97/35/78/634973578.db2.gz AXNBLOVVSWZDBS-CTXVKJAYSA-N 2 1 289.467 2.217 20 0 CEADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903110213 634973583 /nfs/dbraw/zinc/97/35/83/634973583.db2.gz AXNBLOVVSWZDBS-CTXVKJAYSA-N 2 1 289.467 2.217 20 0 CEADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903110213 634973586 /nfs/dbraw/zinc/97/35/86/634973586.db2.gz AXNBLOVVSWZDBS-CTXVKJAYSA-N 2 1 289.467 2.217 20 0 CEADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903110213 634973589 /nfs/dbraw/zinc/97/35/89/634973589.db2.gz AXNBLOVVSWZDBS-CTXVKJAYSA-N 2 1 289.467 2.217 20 0 CEADMP c1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)ccn1 ZINC000903113635 634978209 /nfs/dbraw/zinc/97/82/09/634978209.db2.gz PPYSNMZNMQAEBU-ZXFUBFMLSA-N 2 1 271.408 2.372 20 0 CEADMP COC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903145953 634989994 /nfs/dbraw/zinc/98/99/94/634989994.db2.gz ALZLPSCBVLDSHG-LQDVMPOASA-N 2 1 264.413 2.303 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)[C@H](C)C1 ZINC000903181441 635001560 /nfs/dbraw/zinc/00/15/60/635001560.db2.gz PZFJLIFWHZCXCN-VOAKCMCISA-N 2 1 294.361 2.416 20 0 CEADMP CC[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903185677 635002645 /nfs/dbraw/zinc/00/26/45/635002645.db2.gz KSPMFQTXDNGIBX-HJGRSGLPSA-N 2 1 264.413 2.301 20 0 CEADMP OC[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903293489 635043330 /nfs/dbraw/zinc/04/33/30/635043330.db2.gz SXDBHLIQPACMAA-RCCFBDPRSA-N 2 1 288.435 2.197 20 0 CEADMP C[N@@H+]1CC[C@@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000903321327 635055089 /nfs/dbraw/zinc/05/50/89/635055089.db2.gz CBKZUPUOFFDKBV-MRXNPFEDSA-N 2 1 265.445 2.077 20 0 CEADMP C[N@H+]1CC[C@@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000903321327 635055092 /nfs/dbraw/zinc/05/50/92/635055092.db2.gz CBKZUPUOFFDKBV-MRXNPFEDSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2cccc(F)c2)CC[N@H+]1C ZINC000903310275 635061020 /nfs/dbraw/zinc/06/10/20/635061020.db2.gz PITCTSXHFABKIS-WQVCFCJDSA-N 2 1 280.387 2.106 20 0 CEADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CCCOC1 ZINC000903379720 635093719 /nfs/dbraw/zinc/09/37/19/635093719.db2.gz IGWWLOMEFXVCCW-UAGQMJEPSA-N 2 1 291.439 2.479 20 0 CEADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903426003 635112976 /nfs/dbraw/zinc/11/29/76/635112976.db2.gz FPVOTLPGKLJYTE-FMKPAKJESA-N 2 1 299.422 2.388 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@H]1CCCCO1 ZINC000903435730 635116562 /nfs/dbraw/zinc/11/65/62/635116562.db2.gz XDOQIZNVYAFJGD-QLFBSQMISA-N 2 1 254.418 2.395 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000903435731 635116926 /nfs/dbraw/zinc/11/69/26/635116926.db2.gz XEQGOGNQLOBQDP-GHJWDPDVSA-N 2 1 296.361 2.466 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000903435731 635116930 /nfs/dbraw/zinc/11/69/30/635116930.db2.gz XEQGOGNQLOBQDP-GHJWDPDVSA-N 2 1 296.361 2.466 20 0 CEADMP CCCO[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903435432 635116947 /nfs/dbraw/zinc/11/69/47/635116947.db2.gz TZZGRWMXSYFQIQ-ILXRZTDVSA-N 2 1 254.418 2.395 20 0 CEADMP CO[C@@]1(C)C[C@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000903440803 635120862 /nfs/dbraw/zinc/12/08/62/635120862.db2.gz DEDUTFQMIDOUGX-OSFYFWSMSA-N 2 1 254.418 2.249 20 0 CEADMP FC1(F)[C@@H]2C[C@@H](C[N@@H+](C3CC3)C3CC[NH2+]CC3)C[C@@H]21 ZINC000903422310 635123241 /nfs/dbraw/zinc/12/32/41/635123241.db2.gz XUBJTLMHTLUACP-OJNYZHBWSA-N 2 1 270.367 2.494 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](CC(F)(F)F)O1 ZINC000903464583 635134687 /nfs/dbraw/zinc/13/46/87/635134687.db2.gz SMRVQPOMDYATKH-WHOHXGKFSA-N 2 1 280.334 2.156 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903455153 635137589 /nfs/dbraw/zinc/13/75/89/635137589.db2.gz RRXLOTRASNQTOI-OCCSQVGLSA-N 2 1 260.381 2.181 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000903481557 635148071 /nfs/dbraw/zinc/14/80/71/635148071.db2.gz FZWZVXFIBSYJTL-ZIAGYGMSSA-N 2 1 252.402 2.066 20 0 CEADMP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@H]1CC2(CCC2)CO1 ZINC000903481523 635148324 /nfs/dbraw/zinc/14/83/24/635148324.db2.gz FAXYKTMEZVYBEE-ZIAGYGMSSA-N 2 1 264.413 2.210 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2)C[C@H]1CC[NH3+] ZINC000903496669 635157689 /nfs/dbraw/zinc/15/76/89/635157689.db2.gz YBDRHWYEGPSTEZ-CHWSQXEVSA-N 2 1 293.386 2.071 20 0 CEADMP C(C1CCCCC1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903509593 635159154 /nfs/dbraw/zinc/15/91/54/635159154.db2.gz KCDQBZMHFKNCAO-HDICACEKSA-N 2 1 291.483 2.467 20 0 CEADMP C(C1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903509593 635159157 /nfs/dbraw/zinc/15/91/57/635159157.db2.gz KCDQBZMHFKNCAO-HDICACEKSA-N 2 1 291.483 2.467 20 0 CEADMP C(C1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903509593 635159161 /nfs/dbraw/zinc/15/91/61/635159161.db2.gz KCDQBZMHFKNCAO-HDICACEKSA-N 2 1 291.483 2.467 20 0 CEADMP [NH3+]CCOCC[N@@H+](Cc1cccc(F)c1)C1CCC1 ZINC000903569453 635168776 /nfs/dbraw/zinc/16/87/76/635168776.db2.gz FOCVAVQLVAZFED-UHFFFAOYSA-N 2 1 266.360 2.156 20 0 CEADMP CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000903575447 635169505 /nfs/dbraw/zinc/16/95/05/635169505.db2.gz PHMOFCFOPWYLGU-CQSZACIVSA-N 2 1 283.460 2.275 20 0 CEADMP Cc1ccccc1C[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717670 635231897 /nfs/dbraw/zinc/23/18/97/635231897.db2.gz CVBMTUDUMRUWSB-DLBZAZTESA-N 2 1 274.408 2.195 20 0 CEADMP Cc1ccc(C[N@@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903717429 635232483 /nfs/dbraw/zinc/23/24/83/635232483.db2.gz AHKLAFWDCBZDLS-IAGOWNOFSA-N 2 1 274.408 2.195 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717263 635232655 /nfs/dbraw/zinc/23/26/55/635232655.db2.gz LWOJAXIBIHNNHM-KFWWJZLASA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722507 635236113 /nfs/dbraw/zinc/23/61/13/635236113.db2.gz LXYVJVLWPQQZIG-KBPBESRZSA-N 2 1 254.418 2.121 20 0 CEADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H]1C1CCCC1 ZINC000903722515 635236459 /nfs/dbraw/zinc/23/64/59/635236459.db2.gz LYOAQEHFKMDCNP-IKGGRYGDSA-N 2 1 278.440 2.410 20 0 CEADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@@H]1C1CCC1 ZINC000903727757 635239296 /nfs/dbraw/zinc/23/92/96/635239296.db2.gz XDKVDSFZWCEHQE-JKSUJKDBSA-N 2 1 278.440 2.410 20 0 CEADMP CCOC[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903729248 635240950 /nfs/dbraw/zinc/24/09/50/635240950.db2.gz LJKNAYLBEIBFQI-GJZGRUSLSA-N 2 1 254.418 2.125 20 0 CEADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000903730068 635242197 /nfs/dbraw/zinc/24/21/97/635242197.db2.gz TXCBLTBQCWTLOJ-ZNMIVQPWSA-N 2 1 264.413 2.162 20 0 CEADMP CC1([NH3+])CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000903745808 635245699 /nfs/dbraw/zinc/24/56/99/635245699.db2.gz RLAPUCHLRRKCMQ-QWRGUYRKSA-N 2 1 280.334 2.300 20 0 CEADMP C[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903734174 635250155 /nfs/dbraw/zinc/25/01/55/635250155.db2.gz PMBGWNXALGPNRF-FHLIZLRMSA-N 2 1 286.419 2.202 20 0 CEADMP CC(C)CO[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903734389 635250251 /nfs/dbraw/zinc/25/02/51/635250251.db2.gz YTNXCOIRYPKADB-CABCVRRESA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903734478 635250452 /nfs/dbraw/zinc/25/04/52/635250452.db2.gz RMDQGQVYDKGUBQ-OAGGEKHMSA-N 2 1 266.429 2.267 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000903739176 635253680 /nfs/dbraw/zinc/25/36/80/635253680.db2.gz DMGGYFQIBKZQLT-JYJNAYRXSA-N 3 1 267.461 2.038 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903741377 635255159 /nfs/dbraw/zinc/25/51/59/635255159.db2.gz OZDPXASCTHQYDG-SJORKVTESA-N 2 1 279.472 2.040 20 0 CEADMP CC(C)c1ccccc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000903760704 635255606 /nfs/dbraw/zinc/25/56/06/635255606.db2.gz KDYMFOBSOBBLFP-HNNXBMFYSA-N 2 1 262.397 2.360 20 0 CEADMP CC(C)[N@@H+](CC1CCC1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903759911 635255720 /nfs/dbraw/zinc/25/57/20/635255720.db2.gz UCNIBQODNVMUDP-JKSUJKDBSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C[C@H]1C[NH3+] ZINC000903760479 635255801 /nfs/dbraw/zinc/25/58/01/635255801.db2.gz XFQLXROCABHBFT-NDBYEHHHSA-N 2 1 294.361 2.403 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C[C@H]1C[NH3+] ZINC000903760479 635255807 /nfs/dbraw/zinc/25/58/07/635255807.db2.gz XFQLXROCABHBFT-NDBYEHHHSA-N 2 1 294.361 2.403 20 0 CEADMP CC1CC(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000903763271 635256865 /nfs/dbraw/zinc/25/68/65/635256865.db2.gz JNUBJEDTVZFKNS-XJCPWDRGSA-N 2 1 266.429 2.251 20 0 CEADMP CC1CC(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000903763268 635256934 /nfs/dbraw/zinc/25/69/34/635256934.db2.gz JNUBJEDTVZFKNS-NEADZQPHSA-N 2 1 266.429 2.251 20 0 CEADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000903764668 635257437 /nfs/dbraw/zinc/25/74/37/635257437.db2.gz UXNQHAWPMPXAAQ-JYJNAYRXSA-N 2 1 278.440 2.410 20 0 CEADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903769357 635259599 /nfs/dbraw/zinc/25/95/99/635259599.db2.gz DLJLJSZJGOZXHJ-RFQIPJPRSA-N 2 1 286.366 2.017 20 0 CEADMP CCCCOC(=O)[C@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790829 635261852 /nfs/dbraw/zinc/26/18/52/635261852.db2.gz CGSNGOFKUCGASM-ZDUSSCGKSA-N 2 1 284.444 2.415 20 0 CEADMP C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903781706 635266858 /nfs/dbraw/zinc/26/68/58/635266858.db2.gz UZRQGJOMKMBAIB-SJLPKXTDSA-N 2 1 299.418 2.368 20 0 CEADMP COCC(COC)[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000903782551 635268853 /nfs/dbraw/zinc/26/88/53/635268853.db2.gz PGBORYSPKOTDRS-WMLDXEAASA-N 2 1 298.471 2.267 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000903801272 635278064 /nfs/dbraw/zinc/27/80/64/635278064.db2.gz LXVCJTRXWABFIQ-LYYZXLFJSA-N 2 1 264.413 2.147 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000903801272 635278069 /nfs/dbraw/zinc/27/80/69/635278069.db2.gz LXVCJTRXWABFIQ-LYYZXLFJSA-N 2 1 264.413 2.147 20 0 CEADMP CO[C@H](C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+])C1CCCC1 ZINC000903803467 635279621 /nfs/dbraw/zinc/27/96/21/635279621.db2.gz YIEFOTCGNGSZMS-XHSDSOJGSA-N 2 1 266.429 2.395 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+])C1CCCC1 ZINC000903803467 635279629 /nfs/dbraw/zinc/27/96/29/635279629.db2.gz YIEFOTCGNGSZMS-XHSDSOJGSA-N 2 1 266.429 2.395 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2CCCc1ccncc1 ZINC000903802568 635279891 /nfs/dbraw/zinc/27/98/91/635279891.db2.gz SKURJFDDGGNKTM-HOTGVXAUSA-N 2 1 259.397 2.218 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2CCCc1ccncc1 ZINC000903802568 635279892 /nfs/dbraw/zinc/27/98/92/635279892.db2.gz SKURJFDDGGNKTM-HOTGVXAUSA-N 2 1 259.397 2.218 20 0 CEADMP CC1(C)CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1c1ccccc1 ZINC000903824261 635292499 /nfs/dbraw/zinc/29/24/99/635292499.db2.gz OTQDAARJWXVUNO-YVSFHVDLSA-N 2 1 288.435 2.353 20 0 CEADMP CC1(C)CC[N@@H+](CCOCC[NH3+])C[C@@H]1c1ccccc1 ZINC000903824902 635292527 /nfs/dbraw/zinc/29/25/27/635292527.db2.gz UQGJFTOCMMCKQP-MRXNPFEDSA-N 2 1 276.424 2.477 20 0 CEADMP Fc1ccc(OC[C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000903826363 635293446 /nfs/dbraw/zinc/29/34/46/635293446.db2.gz JNRLOLFKWXYXEL-ZFWWWQNUSA-N 2 1 278.371 2.278 20 0 CEADMP COc1ccc(OCCC[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903857801 635309205 /nfs/dbraw/zinc/30/92/05/635309205.db2.gz WBYNSLQCOWCUNM-PBHICJAKSA-N 2 1 290.407 2.277 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903857801 635309209 /nfs/dbraw/zinc/30/92/09/635309209.db2.gz WBYNSLQCOWCUNM-PBHICJAKSA-N 2 1 290.407 2.277 20 0 CEADMP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H](C)C(C)C ZINC000903890019 635316917 /nfs/dbraw/zinc/31/69/17/635316917.db2.gz YDVIGHUMHAEDHT-KGLIPLIRSA-N 2 1 279.432 2.069 20 0 CEADMP C[C@@]1(C2CC2)COCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903880839 635324413 /nfs/dbraw/zinc/32/44/13/635324413.db2.gz CTUJJBLNXGKZLM-SFHVURJKSA-N 2 1 286.419 2.333 20 0 CEADMP [NH3+][C@H](CC(F)F)C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000903893218 635329284 /nfs/dbraw/zinc/32/92/84/635329284.db2.gz SMYOXZZAOOGHES-UKRRQHHQSA-N 2 1 298.377 2.341 20 0 CEADMP [NH3+][C@H](CC(F)F)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000903893218 635329291 /nfs/dbraw/zinc/32/92/91/635329291.db2.gz SMYOXZZAOOGHES-UKRRQHHQSA-N 2 1 298.377 2.341 20 0 CEADMP CC[C@@H]1CCCCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903895068 635329878 /nfs/dbraw/zinc/32/98/78/635329878.db2.gz KNFYWSBFDQFILB-HUUCEWRRSA-N 2 1 291.443 2.357 20 0 CEADMP CCOC[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903893618 635331155 /nfs/dbraw/zinc/33/11/55/635331155.db2.gz XJQZDAXXKIYINC-WZYMTQMTSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](C)CCC[C@@H]2C)cnn1C ZINC000903897022 635333249 /nfs/dbraw/zinc/33/32/49/635333249.db2.gz XVAJGGGSLVKUDZ-IJEWVQPXSA-N 2 1 292.471 2.356 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc2c1CC[NH2+]C2 ZINC000903902963 635339438 /nfs/dbraw/zinc/33/94/38/635339438.db2.gz CXSHBDVQGBMTPB-UHFFFAOYSA-N 3 1 287.451 2.250 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2c1CC[NH2+]C2 ZINC000903902963 635339442 /nfs/dbraw/zinc/33/94/42/635339442.db2.gz CXSHBDVQGBMTPB-UHFFFAOYSA-N 3 1 287.451 2.250 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000903915525 635340166 /nfs/dbraw/zinc/34/01/66/635340166.db2.gz OSBMGKJXXWNGCA-KGLIPLIRSA-N 2 1 291.443 2.071 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCCC2(CCOCC2)C1 ZINC000903907914 635342988 /nfs/dbraw/zinc/34/29/88/635342988.db2.gz AJHMHDMSNVYREJ-MQVJKMGUSA-N 2 1 278.440 2.410 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000903909252 635343336 /nfs/dbraw/zinc/34/33/36/635343336.db2.gz SHZMNAMMVREZNW-ZCRFILTFSA-N 3 1 279.472 2.322 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000903909252 635343344 /nfs/dbraw/zinc/34/33/44/635343344.db2.gz SHZMNAMMVREZNW-ZCRFILTFSA-N 3 1 279.472 2.322 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000903909252 635343349 /nfs/dbraw/zinc/34/33/49/635343349.db2.gz SHZMNAMMVREZNW-ZCRFILTFSA-N 3 1 279.472 2.322 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000903909252 635343352 /nfs/dbraw/zinc/34/33/52/635343352.db2.gz SHZMNAMMVREZNW-ZCRFILTFSA-N 2 1 279.472 2.322 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000903909252 635343358 /nfs/dbraw/zinc/34/33/58/635343358.db2.gz SHZMNAMMVREZNW-ZCRFILTFSA-N 2 1 279.472 2.322 20 0 CEADMP CCOC(=O)[C@H](CC)[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903910296 635345108 /nfs/dbraw/zinc/34/51/08/635345108.db2.gz LFLTURKWWXBREG-HUORLRHWSA-N 2 1 294.439 2.323 20 0 CEADMP Cc1cccc(OC[C@H](C)[NH2+]C[C@H]([NH3+])CC(F)F)c1 ZINC000903919519 635348788 /nfs/dbraw/zinc/34/87/88/635348788.db2.gz DHHGEQMRSABCFK-NWDGAFQWSA-N 2 1 272.339 2.334 20 0 CEADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2(CCC2)CO1 ZINC000903933128 635358185 /nfs/dbraw/zinc/35/81/85/635358185.db2.gz YQVABGOCCYCCEB-FFHGMXDLSA-N 2 1 264.413 2.160 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCC3(CC3)CC2)cnn1C ZINC000903934971 635359746 /nfs/dbraw/zinc/35/97/46/635359746.db2.gz KNZDLJBHEPPAOT-OAHLLOKOSA-N 2 1 290.455 2.112 20 0 CEADMP [NH3+]CCC[N@@H+](CC1CCCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903916704 635364937 /nfs/dbraw/zinc/36/49/37/635364937.db2.gz IUJKVRLPJRGQPJ-ALOPSCKCSA-N 3 1 279.472 2.358 20 0 CEADMP CCOC(=O)[C@@H](CCCC(C)C)[NH2+]CC1CC[NH2+]CC1 ZINC000903959822 635369070 /nfs/dbraw/zinc/36/90/70/635369070.db2.gz PKUKYNOGBGGEKW-OAHLLOKOSA-N 2 1 284.444 2.334 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2ccc(OCCOC)cc2)CC1 ZINC000903946838 635379364 /nfs/dbraw/zinc/37/93/64/635379364.db2.gz CTXYWCWOYOHBER-UHFFFAOYSA-N 2 1 292.423 2.415 20 0 CEADMP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964782 635399133 /nfs/dbraw/zinc/39/91/33/635399133.db2.gz VPPCQULLSULVTC-TYNCELHUSA-N 2 1 250.361 2.344 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)C1 ZINC000904315887 635552226 /nfs/dbraw/zinc/55/22/26/635552226.db2.gz GCKLCPWJBKPCPW-XLNGHYISSA-N 2 1 274.408 2.312 20 0 CEADMP COCC[N@@H+](CCCc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313105 635559950 /nfs/dbraw/zinc/55/99/50/635559950.db2.gz CMDQCRRVYVSQSU-CALCHBBNSA-N 2 1 276.424 2.305 20 0 CEADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)s1 ZINC000904317935 635564428 /nfs/dbraw/zinc/56/44/28/635564428.db2.gz KFWGOWYGFWMEOP-JLLWLGSASA-N 2 1 253.415 2.490 20 0 CEADMP Cc1ccccc1[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CO1 ZINC000904324424 635570514 /nfs/dbraw/zinc/57/05/14/635570514.db2.gz XQOGQKCHNSFXJH-LJIGWXMPSA-N 2 1 274.408 2.494 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@]1(C)CCC[NH2+]C1 ZINC000904325415 635571653 /nfs/dbraw/zinc/57/16/53/635571653.db2.gz YMBHLOMLFMUJKF-HZPDHXFCSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](c2ccsc2)O1 ZINC000904326006 635572481 /nfs/dbraw/zinc/57/24/81/635572481.db2.gz BHJRSWBSDYEWKL-RFHZTLPTSA-N 2 1 266.410 2.247 20 0 CEADMP CCOC(=O)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)c1ccccc1 ZINC000904328150 635573167 /nfs/dbraw/zinc/57/31/67/635573167.db2.gz ASDSAWFXMLKXCO-OFQRWUPVSA-N 2 1 290.407 2.350 20 0 CEADMP COc1cccc2c1CC[N@H+](C[C@]1(C)CCC[NH2+]C1)C2 ZINC000904331187 635576045 /nfs/dbraw/zinc/57/60/45/635576045.db2.gz DYOQDVLETTVDAC-QGZVFWFLSA-N 2 1 274.408 2.443 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@]1(C)CCC[NH2+]C1)C2 ZINC000904331187 635576050 /nfs/dbraw/zinc/57/60/50/635576050.db2.gz DYOQDVLETTVDAC-QGZVFWFLSA-N 2 1 274.408 2.443 20 0 CEADMP C[C@@H]1[C@H](C)N(C[C@@H]([NH3+])CCC(C)(C)C)CC[N@@H+]1C ZINC000904346179 635581426 /nfs/dbraw/zinc/58/14/26/635581426.db2.gz PWZNRMVUDTUNKP-RDBSUJKOSA-N 2 1 255.450 2.164 20 0 CEADMP C[C@@H]([NH3+])c1ccc(CNC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904350837 635584453 /nfs/dbraw/zinc/58/44/53/635584453.db2.gz QFIFHMPWTZIPLF-CJNGLKHVSA-N 2 1 261.413 2.186 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)CC[C@H]1C[NH3+] ZINC000904409880 635615175 /nfs/dbraw/zinc/61/51/75/635615175.db2.gz ALIICUASUAEWKI-ZFWWWQNUSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@H]1C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000904409880 635615179 /nfs/dbraw/zinc/61/51/79/635615179.db2.gz ALIICUASUAEWKI-ZFWWWQNUSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000904409880 635615184 /nfs/dbraw/zinc/61/51/84/635615184.db2.gz ALIICUASUAEWKI-ZFWWWQNUSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)CC[C@H]1C[NH3+] ZINC000904409878 635615366 /nfs/dbraw/zinc/61/53/66/635615366.db2.gz ALIICUASUAEWKI-HIFRSBDPSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]1C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000904409878 635615367 /nfs/dbraw/zinc/61/53/67/635615367.db2.gz ALIICUASUAEWKI-HIFRSBDPSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000904409878 635615370 /nfs/dbraw/zinc/61/53/70/635615370.db2.gz ALIICUASUAEWKI-HIFRSBDPSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccnn2-c2ccccc2)CC[C@@H]1C[NH3+] ZINC000904410980 635619476 /nfs/dbraw/zinc/61/94/76/635619476.db2.gz RZZCQBQSVPGNHJ-HUUCEWRRSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@H]1C[NH3+] ZINC000904412238 635620399 /nfs/dbraw/zinc/62/03/99/635620399.db2.gz QQMKNSOCBCPLDY-QAPCUYQASA-N 2 1 298.434 2.348 20 0 CEADMP CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000825340970 635621114 /nfs/dbraw/zinc/62/11/14/635621114.db2.gz UMEJXWGTHIBGQB-CQSZACIVSA-N 2 1 295.471 2.288 20 0 CEADMP Cc1csc(C[C@H]2CC[N@H+](CC(C)(C)[NH3+])C2)n1 ZINC000904433987 635628726 /nfs/dbraw/zinc/62/87/26/635628726.db2.gz RXCOOBTYDKPTOM-LLVKDONJSA-N 2 1 253.415 2.053 20 0 CEADMP Cc1csc(C[C@H]2CC[N@@H+](CC(C)(C)[NH3+])C2)n1 ZINC000904433987 635628729 /nfs/dbraw/zinc/62/87/29/635628729.db2.gz RXCOOBTYDKPTOM-LLVKDONJSA-N 2 1 253.415 2.053 20 0 CEADMP Cc1cccc(NCCNc2nc(N)[nH+]c3c2CCCC3)[nH+]1 ZINC000825747946 635707127 /nfs/dbraw/zinc/70/71/27/635707127.db2.gz FBSADHBDQDMTNR-UHFFFAOYSA-N 2 1 298.394 2.165 20 0 CEADMP CC[C@@](O)(C[NH2+]CCC[NH+]1CCC(C)CC1)C(F)(F)F ZINC000905889585 636513377 /nfs/dbraw/zinc/51/33/77/636513377.db2.gz MKVPRXKDHSGNEY-CYBMUJFWSA-N 2 1 296.377 2.401 20 0 CEADMP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c(SC)cc1OC ZINC000906507650 636757989 /nfs/dbraw/zinc/75/79/89/636757989.db2.gz BFSRHSQFQUULJT-XYPYZODXSA-N 2 1 282.409 2.005 20 0 CEADMP CN(c1ccccc1)c1ccc(C[NH2+]C2CC([NH3+])C2)cn1 ZINC000906511008 636761419 /nfs/dbraw/zinc/76/14/19/636761419.db2.gz PIOSNRKMAIRGSP-UHFFFAOYSA-N 2 1 282.391 2.429 20 0 CEADMP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c(C)n1 ZINC000906540690 636779955 /nfs/dbraw/zinc/77/99/55/636779955.db2.gz PWGRHVKLBJDQHM-GFCCVEGCSA-N 2 1 275.396 2.219 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000906847565 636867609 /nfs/dbraw/zinc/86/76/09/636867609.db2.gz BCUGIFHWXAIKLK-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000832618819 637622423 /nfs/dbraw/zinc/62/24/23/637622423.db2.gz CPKXPJXXAMDACP-MRXNPFEDSA-N 2 1 291.439 2.315 20 0 CEADMP CC[N@H+]1CCCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@@H](C)C1 ZINC000910283256 637976571 /nfs/dbraw/zinc/97/65/71/637976571.db2.gz KVZMLWMAQQWYSF-UONOGXRCSA-N 2 1 283.460 2.096 20 0 CEADMP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924851485 639061513 /nfs/dbraw/zinc/06/15/13/639061513.db2.gz FKBSYCKQRZWHSO-CABCVRRESA-N 2 1 297.487 2.390 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2Cl)CC[N@@H+]1C ZINC000226876587 639567741 /nfs/dbraw/zinc/56/77/41/639567741.db2.gz IPGUOBBHRRVKNE-LALPHHSUSA-N 2 1 282.815 2.446 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2Cl)CC[N@H+]1C ZINC000226876587 639567745 /nfs/dbraw/zinc/56/77/45/639567745.db2.gz IPGUOBBHRRVKNE-LALPHHSUSA-N 2 1 282.815 2.446 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cc(F)ccc2F)CC[N@@H+]1C ZINC000158234463 639582144 /nfs/dbraw/zinc/58/21/44/639582144.db2.gz MUCDDVOODCJABN-HCKVZZMMSA-N 2 1 284.350 2.071 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cc(F)ccc2F)CC[N@H+]1C ZINC000158234463 639582153 /nfs/dbraw/zinc/58/21/53/639582153.db2.gz MUCDDVOODCJABN-HCKVZZMMSA-N 2 1 284.350 2.071 20 0 CEADMP Cc1noc(C)c1C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841006964 639616579 /nfs/dbraw/zinc/61/65/79/639616579.db2.gz JCHIIQZVDHCVJX-ZWNOBZJWSA-N 2 1 251.374 2.111 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ncc(Cl)n2C)cc1 ZINC000841028916 639620915 /nfs/dbraw/zinc/62/09/15/639620915.db2.gz IFOKASISEJPPLX-JTQLQIEISA-N 2 1 278.787 2.383 20 0 CEADMP Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841034342 639626471 /nfs/dbraw/zinc/62/64/71/639626471.db2.gz DJJPIARRIVDLBP-UHFFFAOYSA-N 2 1 292.814 2.173 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c(F)c1 ZINC000228645231 639649611 /nfs/dbraw/zinc/64/96/11/639649611.db2.gz BCZOSQLTCQANKV-LLVKDONJSA-N 2 1 252.333 2.005 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2N)C1 ZINC000877026970 650537482 /nfs/dbraw/zinc/53/74/82/650537482.db2.gz IEYFRISWZQLHGB-LLVKDONJSA-N 2 1 267.804 2.354 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2N)C1 ZINC000877026970 650537485 /nfs/dbraw/zinc/53/74/85/650537485.db2.gz IEYFRISWZQLHGB-LLVKDONJSA-N 2 1 267.804 2.354 20 0 CEADMP c1cc(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)sn1 ZINC000929697001 640022592 /nfs/dbraw/zinc/02/25/92/640022592.db2.gz PTBPUWOZEJRLAJ-CYBMUJFWSA-N 2 1 265.426 2.103 20 0 CEADMP c1cc(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)sn1 ZINC000929697001 640022596 /nfs/dbraw/zinc/02/25/96/640022596.db2.gz PTBPUWOZEJRLAJ-CYBMUJFWSA-N 2 1 265.426 2.103 20 0 CEADMP OCCCCCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000842474165 640073407 /nfs/dbraw/zinc/07/34/07/640073407.db2.gz HLRUZGIOCMBZDJ-GJZGRUSLSA-N 2 1 254.418 2.003 20 0 CEADMP c1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc2c1COC2 ZINC000842475175 640073691 /nfs/dbraw/zinc/07/36/91/640073691.db2.gz LPHXPGASMFAXND-QGZVFWFLSA-N 2 1 272.392 2.292 20 0 CEADMP c1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc2c1COC2 ZINC000842475175 640073700 /nfs/dbraw/zinc/07/37/00/640073700.db2.gz LPHXPGASMFAXND-QGZVFWFLSA-N 2 1 272.392 2.292 20 0 CEADMP C[C@H](c1nc([C@@H]2CCC[NH2+]C2)no1)[NH+]1CCCCCC1 ZINC000842668486 640142616 /nfs/dbraw/zinc/14/26/16/640142616.db2.gz OOPUAOINRKARCP-CHWSQXEVSA-N 2 1 278.400 2.474 20 0 CEADMP C[C@H]1SCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000842779054 640179666 /nfs/dbraw/zinc/17/96/66/640179666.db2.gz JWPUPGMQOGAHDR-MWLCHTKSSA-N 2 1 271.455 2.188 20 0 CEADMP COc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)cc(OC)c1O ZINC000843054872 640257805 /nfs/dbraw/zinc/25/78/05/640257805.db2.gz LQSGLOQVGLHMBN-UHFFFAOYSA-N 2 1 294.395 2.111 20 0 CEADMP COCCOc1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843056097 640258604 /nfs/dbraw/zinc/25/86/04/640258604.db2.gz YUIQWMYOFKKGAO-UHFFFAOYSA-N 2 1 292.423 2.414 20 0 CEADMP CC[N@H+](C[C@H](O)c1ccc(C)cc1)CC(C)(C)[NH3+] ZINC000843063002 640264770 /nfs/dbraw/zinc/26/47/70/640264770.db2.gz VDNRFAQDWKGALC-AWEZNQCLSA-N 2 1 250.386 2.088 20 0 CEADMP CC[N@@H+](C[C@H](O)c1ccc(C)cc1)CC(C)(C)[NH3+] ZINC000843063002 640264774 /nfs/dbraw/zinc/26/47/74/640264774.db2.gz VDNRFAQDWKGALC-AWEZNQCLSA-N 2 1 250.386 2.088 20 0 CEADMP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000843066797 640265969 /nfs/dbraw/zinc/26/59/69/640265969.db2.gz URGQCHJTONONDZ-LSDHHAIUSA-N 2 1 280.387 2.451 20 0 CEADMP CC(C)([NH3+])C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000843066797 640265971 /nfs/dbraw/zinc/26/59/71/640265971.db2.gz URGQCHJTONONDZ-LSDHHAIUSA-N 2 1 280.387 2.451 20 0 CEADMP C[N@@H+](Cc1noc2c1CCCC2)C1CCC([NH3+])CC1 ZINC000843355033 640401841 /nfs/dbraw/zinc/40/18/41/640401841.db2.gz JPGLXHHPWHDNPE-UHFFFAOYSA-N 2 1 263.385 2.255 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843386846 640413398 /nfs/dbraw/zinc/41/33/98/640413398.db2.gz OPOYARWJPXFTMW-CVEARBPZSA-N 2 1 296.455 2.431 20 0 CEADMP CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993316741 640596030 /nfs/dbraw/zinc/59/60/30/640596030.db2.gz RTHGQVCBBIZVCI-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH2+]CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000844171279 640623065 /nfs/dbraw/zinc/62/30/65/640623065.db2.gz NYHAMSGLKGSWQZ-CQSZACIVSA-N 2 1 289.423 2.467 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH3+])c2)C[C@H]1C ZINC000844186231 640626128 /nfs/dbraw/zinc/62/61/28/640626128.db2.gz WYDYNKYGADEJKJ-CJNGLKHVSA-N 2 1 289.423 2.090 20 0 CEADMP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994405293 640832015 /nfs/dbraw/zinc/83/20/15/640832015.db2.gz IMQIGOSYRGODDG-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994405293 640832020 /nfs/dbraw/zinc/83/20/20/640832020.db2.gz IMQIGOSYRGODDG-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(NCCCC[N@@H+]2CCCC[C@@H]2C)nc(N)[nH+]1 ZINC000917073143 640846719 /nfs/dbraw/zinc/84/67/19/640846719.db2.gz GFDKUZYMLGNIBS-ZDUSSCGKSA-N 2 1 277.416 2.434 20 0 CEADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)n(C)n1 ZINC000844926391 640867808 /nfs/dbraw/zinc/86/78/08/640867808.db2.gz ZFSVXJMXFJDGOP-NSHDSACASA-N 2 1 276.359 2.177 20 0 CEADMP CSC1CC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000925439915 640896322 /nfs/dbraw/zinc/89/63/22/640896322.db2.gz OOQXWUWJQDPOCK-DGKWVBSXSA-N 2 1 286.485 2.359 20 0 CEADMP CC1(C)C[C@@H]([NH2+]Cc2cn3ccsc3n2)C[C@@H]([NH3+])C1 ZINC000925472099 641080914 /nfs/dbraw/zinc/08/09/14/641080914.db2.gz AANGUFFOHPRKGL-MNOVXSKESA-N 2 1 278.425 2.391 20 0 CEADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000925475498 641103425 /nfs/dbraw/zinc/10/34/25/641103425.db2.gz UOVCFVQIFRUVMI-GDBMZVCRSA-N 3 1 279.472 2.356 20 0 CEADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000920094848 641113469 /nfs/dbraw/zinc/11/34/69/641113469.db2.gz ILERIAISUJKOIW-NVXWUHKLSA-N 2 1 274.408 2.029 20 0 CEADMP CC(C)[N@@H+](Cc1cccc(F)c1)C[C@H](O)CN1CCCC1 ZINC000920094591 641113850 /nfs/dbraw/zinc/11/38/50/641113850.db2.gz GUXNCIFBPWTRDX-QGZVFWFLSA-N 2 1 294.414 2.493 20 0 CEADMP CC(C)[N@H+](Cc1cccc(F)c1)C[C@H](O)CN1CCCC1 ZINC000920094591 641113854 /nfs/dbraw/zinc/11/38/54/641113854.db2.gz GUXNCIFBPWTRDX-QGZVFWFLSA-N 2 1 294.414 2.493 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCNc1ccccn1 ZINC000925480351 641152253 /nfs/dbraw/zinc/15/22/53/641152253.db2.gz VVVSDUREJHPUQA-KGLIPLIRSA-N 2 1 262.401 2.004 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@](C)(O)c1ccccc1 ZINC000846040415 641160368 /nfs/dbraw/zinc/16/03/68/641160368.db2.gz XEULJIRDWOOZQK-DZOHQFGASA-N 2 1 288.435 2.499 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)n(C)n1 ZINC000846177445 641214089 /nfs/dbraw/zinc/21/40/89/641214089.db2.gz PFDMNYKSOJNVBQ-CQSZACIVSA-N 2 1 266.433 2.357 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)n(C)n1 ZINC000846177445 641214095 /nfs/dbraw/zinc/21/40/95/641214095.db2.gz PFDMNYKSOJNVBQ-CQSZACIVSA-N 2 1 266.433 2.357 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000846221372 641230809 /nfs/dbraw/zinc/23/08/09/641230809.db2.gz XTPMWCAYCAYMSH-KRWDZBQOSA-N 2 1 276.424 2.449 20 0 CEADMP COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCCCCC[NH3+] ZINC000846221248 641231269 /nfs/dbraw/zinc/23/12/69/641231269.db2.gz VFPLZKQCEXLQAV-INIZCTEOSA-N 2 1 290.407 2.278 20 0 CEADMP COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCCCCC[NH3+] ZINC000846221248 641231280 /nfs/dbraw/zinc/23/12/80/641231280.db2.gz VFPLZKQCEXLQAV-INIZCTEOSA-N 2 1 290.407 2.278 20 0 CEADMP c1c[nH]c([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)n1 ZINC000846224552 641233247 /nfs/dbraw/zinc/23/32/47/641233247.db2.gz ZSQZHXRDCCJDEQ-INIZCTEOSA-N 2 1 282.391 2.393 20 0 CEADMP c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)n1 ZINC000846224552 641233253 /nfs/dbraw/zinc/23/32/53/641233253.db2.gz ZSQZHXRDCCJDEQ-INIZCTEOSA-N 2 1 282.391 2.393 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3nonc3c2)[C@H](C)C1 ZINC000846828342 641442226 /nfs/dbraw/zinc/44/22/26/641442226.db2.gz KLDYRWCMJSJIRQ-MLGOLLRUSA-N 2 1 288.395 2.385 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3nonc3c2)[C@H](C)C1 ZINC000846828342 641442228 /nfs/dbraw/zinc/44/22/28/641442228.db2.gz KLDYRWCMJSJIRQ-MLGOLLRUSA-N 2 1 288.395 2.385 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3nonc3c2)[C@H](C)C1 ZINC000846828342 641442229 /nfs/dbraw/zinc/44/22/29/641442229.db2.gz KLDYRWCMJSJIRQ-MLGOLLRUSA-N 2 1 288.395 2.385 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CCO)c1cccs1 ZINC000846853098 641454870 /nfs/dbraw/zinc/45/48/70/641454870.db2.gz QISYZGKRSQZYGE-ZDUSSCGKSA-N 2 1 279.409 2.128 20 0 CEADMP CC(=O)c1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)on1 ZINC000846890327 641471973 /nfs/dbraw/zinc/47/19/73/641471973.db2.gz GMXANZKYMBPAAI-UHFFFAOYSA-N 2 1 291.395 2.185 20 0 CEADMP CC(=O)c1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)on1 ZINC000846890327 641471976 /nfs/dbraw/zinc/47/19/76/641471976.db2.gz GMXANZKYMBPAAI-UHFFFAOYSA-N 2 1 291.395 2.185 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000070150041 641636391 /nfs/dbraw/zinc/63/63/91/641636391.db2.gz YBDFQXCXGQPVRX-CYBMUJFWSA-N 2 1 293.386 2.358 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]C(C)C)C(C)(C)C1 ZINC000995875773 642079988 /nfs/dbraw/zinc/07/99/88/642079988.db2.gz WZZNAMXSSGPKSX-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP Cn1c2ccc(F)cc2nc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000848718863 642111258 /nfs/dbraw/zinc/11/12/58/642111258.db2.gz RGERUQGMXFFNGU-VXGBXAGGSA-N 2 1 276.359 2.072 20 0 CEADMP C[C@@H](CNC(=[NH2+])NC1CCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000848987141 642209647 /nfs/dbraw/zinc/20/96/47/642209647.db2.gz JZYWUICSLJAOCD-STQMWFEESA-N 2 1 266.433 2.163 20 0 CEADMP C[C@@H]1C[C@H](CCNC(=[NH2+])N(C)C)C[N@H+]1Cc1ccccc1 ZINC000848990094 642211071 /nfs/dbraw/zinc/21/10/71/642211071.db2.gz YKKOOXHFXLCPSY-ZBFHGGJFSA-N 2 1 288.439 2.373 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=[NH2+])NC2CCC2)C1 ZINC000848989877 642211089 /nfs/dbraw/zinc/21/10/89/642211089.db2.gz JIWOPOKWTHZKHO-OKILXGFUSA-N 2 1 280.460 2.411 20 0 CEADMP [NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC1 ZINC000848996583 642216051 /nfs/dbraw/zinc/21/60/51/642216051.db2.gz HRLVULNPHCSCEG-INIZCTEOSA-N 2 1 286.423 2.129 20 0 CEADMP Cc1cccc(NC(=[NH2+])NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000849003880 642221300 /nfs/dbraw/zinc/22/13/00/642221300.db2.gz MGPVHHRBWZXDQA-OAHLLOKOSA-N 2 1 292.452 2.369 20 0 CEADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000849005112 642221897 /nfs/dbraw/zinc/22/18/97/642221897.db2.gz XSWWAJUAJVMMPW-CYBMUJFWSA-N 2 1 286.423 2.453 20 0 CEADMP CCc1ccc(NC(=[NH2+])NCC[N@H+]2CC=CCC2)cc1 ZINC000849024694 642238325 /nfs/dbraw/zinc/23/83/25/642238325.db2.gz QWFYIUJHMANPFQ-UHFFFAOYSA-N 2 1 272.396 2.447 20 0 CEADMP CCc1ccc(NC(=[NH2+])NCC[N@@H+]2CC=CCC2)cc1 ZINC000849024694 642238327 /nfs/dbraw/zinc/23/83/27/642238327.db2.gz QWFYIUJHMANPFQ-UHFFFAOYSA-N 2 1 272.396 2.447 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)CC(F)(F)F ZINC000849042364 642252145 /nfs/dbraw/zinc/25/21/45/642252145.db2.gz KONITNZJNLSFPS-QWRGUYRKSA-N 2 1 294.365 2.173 20 0 CEADMP c1csc([C@H](CNC2=[NH+]CCCCN2)[NH+]2CCCC2)c1 ZINC000849214998 642285213 /nfs/dbraw/zinc/28/52/13/642285213.db2.gz HYZHSFXIBBOZEX-ZDUSSCGKSA-N 2 1 292.452 2.214 20 0 CEADMP CC(C)C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999403644 642487083 /nfs/dbraw/zinc/48/70/83/642487083.db2.gz XEYIQCXYRSWJBC-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000999575980 642499580 /nfs/dbraw/zinc/49/95/80/642499580.db2.gz SLRDDZXJDYIXQD-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CCCn1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cn1 ZINC000685470797 642574918 /nfs/dbraw/zinc/57/49/18/642574918.db2.gz RWPIVAKIAKCMBS-HZPDHXFCSA-N 2 1 276.428 2.209 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccnn2CC2CC2)C1 ZINC000850172710 642604165 /nfs/dbraw/zinc/60/41/65/642604165.db2.gz CWMNCBGTHABTML-LSDHHAIUSA-N 2 1 276.428 2.256 20 0 CEADMP c1cn2c([nH+]1)C[C@H](C[NH2+]Cc1cnn(CC3CCC3)c1)CC2 ZINC000922064055 642861427 /nfs/dbraw/zinc/86/14/27/642861427.db2.gz RVNKKWGBHDERSI-OAHLLOKOSA-N 2 1 299.422 2.232 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000922181635 642940079 /nfs/dbraw/zinc/94/00/79/642940079.db2.gz WGNVQEVNCZYRDE-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3c2OCC3)C1 ZINC000922181767 642940282 /nfs/dbraw/zinc/94/02/82/642940282.db2.gz YZNTZWLHSZGFOQ-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP COc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)c(C)c1 ZINC000922253618 642984082 /nfs/dbraw/zinc/98/40/82/642984082.db2.gz CYWFPPZZZJGBFI-ZDUSSCGKSA-N 2 1 250.386 2.433 20 0 CEADMP O[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877597683 650808309 /nfs/dbraw/zinc/80/83/09/650808309.db2.gz UTOZFJRGTMDPFZ-VDHUWJSZSA-N 2 1 286.419 2.467 20 0 CEADMP O[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877597683 650808311 /nfs/dbraw/zinc/80/83/11/650808311.db2.gz UTOZFJRGTMDPFZ-VDHUWJSZSA-N 2 1 286.419 2.467 20 0 CEADMP Cc1coc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000922390468 643058412 /nfs/dbraw/zinc/05/84/12/643058412.db2.gz NBLSOJZUHXONDK-QBPKDAKJSA-N 2 1 292.423 2.157 20 0 CEADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccco3)C2)[C@@H]1C(C)C ZINC000922391960 643059158 /nfs/dbraw/zinc/05/91/58/643059158.db2.gz IFFPJUNTVRIKMF-WCXIOVBPSA-N 2 1 292.423 2.239 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CCC(=O)O3)C2)CC1 ZINC000851741943 643139223 /nfs/dbraw/zinc/13/92/23/643139223.db2.gz PNIADDHSXOTPLV-JKSUJKDBSA-N 2 1 294.439 2.136 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCC(=O)O3)C2)CC1 ZINC000851741943 643139226 /nfs/dbraw/zinc/13/92/26/643139226.db2.gz PNIADDHSXOTPLV-JKSUJKDBSA-N 2 1 294.439 2.136 20 0 CEADMP C[NH+]1CCC([NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000922680875 643195635 /nfs/dbraw/zinc/19/56/35/643195635.db2.gz ZELFLXMEWCGKCS-RYUDHWBXSA-N 2 1 280.334 2.170 20 0 CEADMP C[C@H]([NH2+]C[C@H]1COC(C)(C)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000851925749 643227728 /nfs/dbraw/zinc/22/77/28/643227728.db2.gz AEFAZKSPRVKZAI-DZKIICNBSA-N 2 1 296.455 2.381 20 0 CEADMP ClC1(Cl)C[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000877636055 650826888 /nfs/dbraw/zinc/82/68/88/650826888.db2.gz LGHBRRFRTBGEHC-PWSUYJOCSA-N 2 1 293.238 2.023 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014719885 643390584 /nfs/dbraw/zinc/39/05/84/643390584.db2.gz AEEDKKLIMNLRLX-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014719885 643390597 /nfs/dbraw/zinc/39/05/97/643390597.db2.gz AEEDKKLIMNLRLX-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014719885 643390603 /nfs/dbraw/zinc/39/06/03/643390603.db2.gz AEEDKKLIMNLRLX-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001005180482 643393401 /nfs/dbraw/zinc/39/34/01/643393401.db2.gz SKCRCNPNTDPDQV-ZBFHGGJFSA-N 2 1 295.471 2.050 20 0 CEADMP CCCCCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852709339 643520599 /nfs/dbraw/zinc/52/05/99/643520599.db2.gz SJKDTBYZDGYUCF-OAHLLOKOSA-N 2 1 254.418 2.098 20 0 CEADMP CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852754344 643537773 /nfs/dbraw/zinc/53/77/73/643537773.db2.gz TYIUKWIZOYZFJT-UKRRQHHQSA-N 2 1 282.428 2.040 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@@H]1CCO ZINC000852755206 643539664 /nfs/dbraw/zinc/53/96/64/643539664.db2.gz HBERAPAELMFNKH-LSDHHAIUSA-N 2 1 256.434 2.379 20 0 CEADMP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000852760429 643540830 /nfs/dbraw/zinc/54/08/30/643540830.db2.gz ZIUJIXOHMQHSJH-HZSPNIEDSA-N 2 1 270.417 2.168 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC3SCCS3)C[C@@H]21 ZINC000853023075 643624300 /nfs/dbraw/zinc/62/43/00/643624300.db2.gz MOAMGKBAUYOVIM-SDDRHHMPSA-N 2 1 272.483 2.242 20 0 CEADMP CCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000923283736 643635389 /nfs/dbraw/zinc/63/53/89/643635389.db2.gz XRGUDCKBVGJSBQ-LSDHHAIUSA-N 2 1 256.434 2.249 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000923288918 643642066 /nfs/dbraw/zinc/64/20/66/643642066.db2.gz MNXQYBFMUBXXNA-JVLSTEMRSA-N 2 1 284.350 2.057 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000923288918 643642067 /nfs/dbraw/zinc/64/20/67/643642067.db2.gz MNXQYBFMUBXXNA-JVLSTEMRSA-N 2 1 284.350 2.057 20 0 CEADMP Cc1ccccc1OC[C@@H](O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000923296098 643647129 /nfs/dbraw/zinc/64/71/29/643647129.db2.gz CAUBOZGWNHBGOU-JKSUJKDBSA-N 2 1 294.439 2.040 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000923296576 643647305 /nfs/dbraw/zinc/64/73/05/643647305.db2.gz ICQNBPPLPCLZDA-JKSUJKDBSA-N 2 1 264.413 2.334 20 0 CEADMP Fc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923302318 643650382 /nfs/dbraw/zinc/65/03/82/643650382.db2.gz UYLUWHABTGIFDP-HOTGVXAUSA-N 2 1 290.382 2.341 20 0 CEADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000923303290 643650625 /nfs/dbraw/zinc/65/06/25/643650625.db2.gz BMKHURAYQQSNIF-CVEARBPZSA-N 2 1 278.440 2.410 20 0 CEADMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H]1CCOC1 ZINC000923305017 643651954 /nfs/dbraw/zinc/65/19/54/643651954.db2.gz CRHJAEFTMTWNFJ-VIYLOZMYSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923304831 643652331 /nfs/dbraw/zinc/65/23/31/643652331.db2.gz ZCFJPUQWTIVRGE-IHRRRGAJSA-N 2 1 268.788 2.013 20 0 CEADMP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923313289 643653662 /nfs/dbraw/zinc/65/36/62/643653662.db2.gz DFDJZELQUBFQFS-DOMZBBRYSA-N 2 1 290.382 2.123 20 0 CEADMP C(C[NH2+]C1CC1)C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000923318306 643655752 /nfs/dbraw/zinc/65/57/52/643655752.db2.gz ZBXYZXLQJXKFJR-KBPBESRZSA-N 2 1 254.443 2.489 20 0 CEADMP C(C[NH2+]C1CC1)C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000923318306 643655755 /nfs/dbraw/zinc/65/57/55/643655755.db2.gz ZBXYZXLQJXKFJR-KBPBESRZSA-N 2 1 254.443 2.489 20 0 CEADMP CC(C)(C)C[N@@H+](CCO)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923311836 643658418 /nfs/dbraw/zinc/65/84/18/643658418.db2.gz YHOMCKYDVMWYJN-GOOCMWNKSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1cc(C)n([C@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923322254 643662104 /nfs/dbraw/zinc/66/21/04/643662104.db2.gz KHXRQGDGDQKXDI-INIZCTEOSA-N 2 1 276.428 2.279 20 0 CEADMP Cc1cc(C)n([C@H]2CCC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923322254 643662109 /nfs/dbraw/zinc/66/21/09/643662109.db2.gz KHXRQGDGDQKXDI-INIZCTEOSA-N 2 1 276.428 2.279 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000923333018 643665506 /nfs/dbraw/zinc/66/55/06/643665506.db2.gz OHXFKFKEHPRCAD-YHUYYLMFSA-N 2 1 268.445 2.377 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000923347147 643675986 /nfs/dbraw/zinc/67/59/86/643675986.db2.gz YLEAAHLQPWFLMO-ILXRZTDVSA-N 2 1 256.434 2.377 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)sn1 ZINC000923357958 643677228 /nfs/dbraw/zinc/67/72/28/643677228.db2.gz BVCJAZUECQREDG-CHWSQXEVSA-N 2 1 295.452 2.363 20 0 CEADMP O[C@@H](CC1CCCC1)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923365235 643681179 /nfs/dbraw/zinc/68/11/79/643681179.db2.gz DCQPHOXKQCXWRC-JKSUJKDBSA-N 2 1 266.429 2.003 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)C1CCCCC1 ZINC000923372832 643689641 /nfs/dbraw/zinc/68/96/41/643689641.db2.gz KCKLLZWZOZLNJU-HOTGVXAUSA-N 2 1 280.387 2.356 20 0 CEADMP c1ccc([C@@H]2CCC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)cc1 ZINC000923386518 643692512 /nfs/dbraw/zinc/69/25/12/643692512.db2.gz GVVGJCUDXJGHFS-IAGOWNOFSA-N 2 1 286.419 2.245 20 0 CEADMP C(C[N@H+]1CCS[C@@H]2COCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923387669 643692990 /nfs/dbraw/zinc/69/29/90/643692990.db2.gz JLWFWOFVEQEBGN-GWONACJQSA-N 2 1 296.480 2.113 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)Cc2ccccc2)[C@@H]1CCC[NH3+] ZINC000923389352 643693868 /nfs/dbraw/zinc/69/38/68/643693868.db2.gz PLZCRULLWCYFEA-BPQIPLTHSA-N 2 1 290.451 2.429 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H](O)Cc2ccccc2)[C@@H]1CCC[NH3+] ZINC000923389705 643694021 /nfs/dbraw/zinc/69/40/21/643694021.db2.gz PLZCRULLWCYFEA-KBAYOESNSA-N 2 1 290.451 2.429 20 0 CEADMP C(C[N@H+]1CC[NH2+]CCC12CCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923422898 643703138 /nfs/dbraw/zinc/70/31/38/643703138.db2.gz NMCBRPIPZUIVSH-MQVJKMGUSA-N 3 1 277.456 2.125 20 0 CEADMP C(C[N@@H+]1CCNCCC12CCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923422898 643703141 /nfs/dbraw/zinc/70/31/41/643703141.db2.gz NMCBRPIPZUIVSH-MQVJKMGUSA-N 2 1 277.456 2.125 20 0 CEADMP C(C[N@H+]1CCNCCC12CCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923422898 643703146 /nfs/dbraw/zinc/70/31/46/643703146.db2.gz NMCBRPIPZUIVSH-MQVJKMGUSA-N 2 1 277.456 2.125 20 0 CEADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923433058 643709901 /nfs/dbraw/zinc/70/99/01/643709901.db2.gz VNACZOAHTUKDBH-AWEZNQCLSA-N 2 1 254.418 2.408 20 0 CEADMP CO[C@H](C)c1nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cs1 ZINC000923482938 643731619 /nfs/dbraw/zinc/73/16/19/643731619.db2.gz JMFMWPRWLNALTK-MNOVXSKESA-N 2 1 269.414 2.021 20 0 CEADMP CO[C@H](C)c1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)cs1 ZINC000923482938 643731622 /nfs/dbraw/zinc/73/16/22/643731622.db2.gz JMFMWPRWLNALTK-MNOVXSKESA-N 2 1 269.414 2.021 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000923482730 643731680 /nfs/dbraw/zinc/73/16/80/643731680.db2.gz SNLDZEAHQZTOHC-CQSZACIVSA-N 2 1 254.418 2.397 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC[C@H]1C[NH3+] ZINC000923497814 643739645 /nfs/dbraw/zinc/73/96/45/643739645.db2.gz MKXLFQKIVUKXOC-RYUDHWBXSA-N 2 1 292.814 2.404 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)CC[C@@H]1C[NH3+] ZINC000923497807 643739697 /nfs/dbraw/zinc/73/96/97/643739697.db2.gz FSVCKTASYLKKBH-ZYHUDNBSSA-N 2 1 253.777 2.152 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnc(Cl)s2)CC[C@H]1C[NH3+] ZINC000923501028 643741698 /nfs/dbraw/zinc/74/16/98/643741698.db2.gz YSPJDUSTNWIERQ-IUCAKERBSA-N 2 1 259.806 2.213 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc(Cl)s2)CC[C@H]1C[NH3+] ZINC000923501028 643741700 /nfs/dbraw/zinc/74/17/00/643741700.db2.gz YSPJDUSTNWIERQ-IUCAKERBSA-N 2 1 259.806 2.213 20 0 CEADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2F)CC[C@@H]1C[NH3+] ZINC000923500949 643742268 /nfs/dbraw/zinc/74/22/68/643742268.db2.gz SJVTXCFFRWJCAV-QWHCGFSZSA-N 2 1 293.386 2.071 20 0 CEADMP CC(=O)c1ccccc1OCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504211 643742436 /nfs/dbraw/zinc/74/24/36/643742436.db2.gz PYGYVJUHRCHRBH-HIFRSBDPSA-N 2 1 290.407 2.185 20 0 CEADMP c1ccc(OCCCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923517236 643748189 /nfs/dbraw/zinc/74/81/89/643748189.db2.gz BEXGLZRITSLBHZ-JKSUJKDBSA-N 2 1 274.408 2.387 20 0 CEADMP c1ccc2ncc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2c1 ZINC000923521243 643749754 /nfs/dbraw/zinc/74/97/54/643749754.db2.gz KRTVYBOSOCBQKE-JKSUJKDBSA-N 2 1 267.376 2.276 20 0 CEADMP Cc1csc(C[C@@H]2CC[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)n1 ZINC000923550550 643761046 /nfs/dbraw/zinc/76/10/46/643761046.db2.gz DITBVWWAHMXKHX-RDBSUJKOSA-N 2 1 279.453 2.443 20 0 CEADMP O=C1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CCCN1 ZINC000877732819 650876799 /nfs/dbraw/zinc/87/67/99/650876799.db2.gz KLPPUPHVTOHMJK-HOCLYGCPSA-N 2 1 293.455 2.042 20 0 CEADMP O=C1C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CCCN1 ZINC000877732819 650876802 /nfs/dbraw/zinc/87/68/02/650876802.db2.gz KLPPUPHVTOHMJK-HOCLYGCPSA-N 2 1 293.455 2.042 20 0 CEADMP C[C@@H](C[C@@H](O)c1ccco1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000838984338 644109324 /nfs/dbraw/zinc/10/93/24/644109324.db2.gz IBLKDUCNKLTTLI-SWLSCSKDSA-N 2 1 278.396 2.308 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839180985 644181196 /nfs/dbraw/zinc/18/11/96/644181196.db2.gz FVMMRASXOVZRKB-KFWWJZLASA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCSC(F)(F)F ZINC000886839250 644267393 /nfs/dbraw/zinc/26/73/93/644267393.db2.gz AAXMTIYILFMTCZ-IWSPIJDZSA-N 2 1 256.337 2.216 20 0 CEADMP COC(=O)/C(C)=C/C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754465509 644375785 /nfs/dbraw/zinc/37/57/85/644375785.db2.gz OZZPOBZDZAILNK-IVBVFNMWSA-N 2 1 294.439 2.348 20 0 CEADMP CC(C)C[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000757562153 644817050 /nfs/dbraw/zinc/81/70/50/644817050.db2.gz YMFGGWNZEHTOFD-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000757562153 644817053 /nfs/dbraw/zinc/81/70/53/644817053.db2.gz YMFGGWNZEHTOFD-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP CSC1(C[NH2+][C@@H]2CCCc3c[nH]nc32)CC[NH+](C)CC1 ZINC000857868006 644989282 /nfs/dbraw/zinc/98/92/82/644989282.db2.gz NBTLQMJRQBXQKJ-CYBMUJFWSA-N 2 1 294.468 2.204 20 0 CEADMP C[NH+](C)CCC[N@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000809729834 645007197 /nfs/dbraw/zinc/00/71/97/645007197.db2.gz PHUYTEFKWTZHMF-AWEZNQCLSA-N 2 1 299.459 2.269 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000809729834 645007202 /nfs/dbraw/zinc/00/72/02/645007202.db2.gz PHUYTEFKWTZHMF-AWEZNQCLSA-N 2 1 299.459 2.269 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000858104267 645062414 /nfs/dbraw/zinc/06/24/14/645062414.db2.gz DUVPUMAPNJXIQD-CABCVRRESA-N 2 1 267.461 2.323 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858134061 645069973 /nfs/dbraw/zinc/06/99/73/645069973.db2.gz HYSDUIHAYKALDB-GDBMZVCRSA-N 2 1 276.424 2.491 20 0 CEADMP OCc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc[nH+]1 ZINC000858454079 645165806 /nfs/dbraw/zinc/16/58/06/645165806.db2.gz VDQFEIMXZRXZIH-CXAGYDPISA-N 2 1 287.407 2.027 20 0 CEADMP OCc1cc(NC[C@H]2CCCC[N@H+]2C2CC2)cc[nH+]1 ZINC000858516821 645189163 /nfs/dbraw/zinc/18/91/63/645189163.db2.gz NWZUFGMASCRGPT-OAHLLOKOSA-N 2 1 261.369 2.003 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000878104928 650999963 /nfs/dbraw/zinc/99/99/63/650999963.db2.gz RUFQMFBVIJXOFY-KBPBESRZSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878121889 651006010 /nfs/dbraw/zinc/00/60/10/651006010.db2.gz PSFHDNIWBRJBEI-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC[C@@H]2CCOC2=O)cc1 ZINC000859214279 645422865 /nfs/dbraw/zinc/42/28/65/645422865.db2.gz HUCWAOLWQOGPKF-MRXNPFEDSA-N 2 1 290.407 2.133 20 0 CEADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)C1CC1 ZINC000859996655 645672572 /nfs/dbraw/zinc/67/25/72/645672572.db2.gz DLWMFGBHRWFPKW-KRWDZBQOSA-N 2 1 276.424 2.341 20 0 CEADMP Cc1conc1C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000878284765 651052654 /nfs/dbraw/zinc/05/26/54/651052654.db2.gz VNTFTCNNKURFDE-BXUZGUMPSA-N 2 1 260.341 2.263 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000878287286 651053448 /nfs/dbraw/zinc/05/34/48/651053448.db2.gz YJFUJDSUVUKQTR-DIECFANBSA-N 2 1 278.440 2.360 20 0 CEADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000878287286 651053451 /nfs/dbraw/zinc/05/34/51/651053451.db2.gz YJFUJDSUVUKQTR-DIECFANBSA-N 2 1 278.440 2.360 20 0 CEADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000878287286 651053453 /nfs/dbraw/zinc/05/34/53/651053453.db2.gz YJFUJDSUVUKQTR-DIECFANBSA-N 2 1 278.440 2.360 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CCC(=O)C2CC2)C[C@H]1C ZINC000767413754 645987687 /nfs/dbraw/zinc/98/76/87/645987687.db2.gz FMPQEFYBNGOXEO-OCCSQVGLSA-N 2 1 252.402 2.160 20 0 CEADMP CC[N@@H+]1CC[C@H](N(C)CCC(=O)C2CC2)C[C@H]1C ZINC000767413754 645987688 /nfs/dbraw/zinc/98/76/88/645987688.db2.gz FMPQEFYBNGOXEO-OCCSQVGLSA-N 2 1 252.402 2.160 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CCC(=O)C2CC2)C[C@H]1C ZINC000767413754 645987689 /nfs/dbraw/zinc/98/76/89/645987689.db2.gz FMPQEFYBNGOXEO-OCCSQVGLSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)COC2)C[C@H]1CCC[NH+](C)C1 ZINC000768547529 646138125 /nfs/dbraw/zinc/13/81/25/646138125.db2.gz SDMQHUPCNOGCMM-HNNXBMFYSA-N 2 1 274.408 2.490 20 0 CEADMP C[NH+](Cc1ccc2c(c1)COC2)C[C@H]1CCC[N@H+](C)C1 ZINC000768547529 646138129 /nfs/dbraw/zinc/13/81/29/646138129.db2.gz SDMQHUPCNOGCMM-HNNXBMFYSA-N 2 1 274.408 2.490 20 0 CEADMP C[NH+](Cc1ccc2c(c1)COC2)C[C@H]1CCC[N@@H+](C)C1 ZINC000768547529 646138136 /nfs/dbraw/zinc/13/81/36/646138136.db2.gz SDMQHUPCNOGCMM-HNNXBMFYSA-N 2 1 274.408 2.490 20 0 CEADMP Cc1c(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)ccnc1F ZINC000862283182 646392798 /nfs/dbraw/zinc/39/27/98/646392798.db2.gz CDYYFHCQKVSWHD-KBPBESRZSA-N 2 1 265.376 2.492 20 0 CEADMP OC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000772987906 646693355 /nfs/dbraw/zinc/69/33/55/646693355.db2.gz MJUCYGYOEBESJU-KRWDZBQOSA-N 2 1 274.408 2.012 20 0 CEADMP ClC(Cl)=CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863577114 646761306 /nfs/dbraw/zinc/76/13/06/646761306.db2.gz YAXLLLVGUCAJNF-LBPRGKRZSA-N 2 1 293.238 2.396 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)C[C@@H](O)c2ccco2)CC1 ZINC000775402174 646950243 /nfs/dbraw/zinc/95/02/43/646950243.db2.gz ZNCKOOSXZWFZIZ-GXTWGEPZSA-N 2 1 266.385 2.166 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC(CC)CC ZINC000864468544 647021963 /nfs/dbraw/zinc/02/19/63/647021963.db2.gz KOVIJKUSJQRUAT-ZDUSSCGKSA-N 2 1 254.422 2.163 20 0 CEADMP Cc1c(Cl)cccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000865427594 647288113 /nfs/dbraw/zinc/28/81/13/647288113.db2.gz WSBVRJHSKWANAZ-AWEZNQCLSA-N 2 1 282.815 2.195 20 0 CEADMP COCCc1ncc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000865483675 647319138 /nfs/dbraw/zinc/31/91/38/647319138.db2.gz OJZXNKBQARTATR-STQMWFEESA-N 2 1 297.468 2.294 20 0 CEADMP CCCNc1cc(NC[C@@]2([NH+](C)C)CCSC2)nc[nH+]1 ZINC000865582911 647370890 /nfs/dbraw/zinc/37/08/90/647370890.db2.gz OJFGIFFSEPNCEX-AWEZNQCLSA-N 2 1 295.456 2.148 20 0 CEADMP CN1Cc2ccccc2[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865806182 647470867 /nfs/dbraw/zinc/47/08/67/647470867.db2.gz NDPBGPZCXWSEGG-JZXOWHBKSA-N 2 1 285.435 2.390 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)C1 ZINC000866239598 647688423 /nfs/dbraw/zinc/68/84/23/647688423.db2.gz YIWTWWSEDWGEKG-KBMXLJTQSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000783242992 647699372 /nfs/dbraw/zinc/69/93/72/647699372.db2.gz IUQNJBUJNULQCQ-BGTYHANMSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000783242992 647699376 /nfs/dbraw/zinc/69/93/76/647699376.db2.gz IUQNJBUJNULQCQ-BGTYHANMSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000783291484 647706078 /nfs/dbraw/zinc/70/60/78/647706078.db2.gz PIEXSIDZXRMFTB-KBRIMQKVSA-N 2 1 274.408 2.141 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866316382 647734382 /nfs/dbraw/zinc/73/43/82/647734382.db2.gz YVCWTLIDSCVILP-CVEARBPZSA-N 2 1 264.413 2.186 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCc3cccc4cccc2c43)C1 ZINC000866340864 647744246 /nfs/dbraw/zinc/74/42/46/647744246.db2.gz UGQAIWDOFSZLLY-HKUYNNGSSA-N 2 1 296.414 2.483 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCc3cccc4cccc2c43)C1 ZINC000866340864 647744250 /nfs/dbraw/zinc/74/42/50/647744250.db2.gz UGQAIWDOFSZLLY-HKUYNNGSSA-N 2 1 296.414 2.483 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCc3cccc4cccc2c43)C1 ZINC000866340865 647744866 /nfs/dbraw/zinc/74/48/66/647744866.db2.gz UGQAIWDOFSZLLY-IEBWSBKVSA-N 2 1 296.414 2.483 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCc3cccc4cccc2c43)C1 ZINC000866340865 647744868 /nfs/dbraw/zinc/74/48/68/647744868.db2.gz UGQAIWDOFSZLLY-IEBWSBKVSA-N 2 1 296.414 2.483 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CC2(C)OCCO2)[C@H](C)C1 ZINC000866424692 647783119 /nfs/dbraw/zinc/78/31/19/647783119.db2.gz NIEMXQQDJCHOKX-ZNMIVQPWSA-N 2 1 284.444 2.096 20 0 CEADMP CN1Cc2ccccc2[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000866561878 647825572 /nfs/dbraw/zinc/82/55/72/647825572.db2.gz AMGUUBYEHOXYOC-GOSISDBHSA-N 2 1 285.435 2.390 20 0 CEADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000866665560 647861875 /nfs/dbraw/zinc/86/18/75/647861875.db2.gz XWYZYLPLOUCCTO-RDJZCZTQSA-N 2 1 289.423 2.383 20 0 CEADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000866665560 647861877 /nfs/dbraw/zinc/86/18/77/647861877.db2.gz XWYZYLPLOUCCTO-RDJZCZTQSA-N 2 1 289.423 2.383 20 0 CEADMP C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703881 647876027 /nfs/dbraw/zinc/87/60/27/647876027.db2.gz PSDRTTCJPMDAEE-WMLDXEAASA-N 2 1 295.471 2.084 20 0 CEADMP Cc1cncc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000866720815 647881939 /nfs/dbraw/zinc/88/19/39/647881939.db2.gz OGVDCODSAQTOES-JKSUJKDBSA-N 2 1 287.407 2.048 20 0 CEADMP C[N@H+]1CCN(C(=O)Nc2cccc(C[NH3+])c2)CCC1(C)C ZINC000868165110 648063396 /nfs/dbraw/zinc/06/33/96/648063396.db2.gz VBSZUVAIIHJFOS-UHFFFAOYSA-N 2 1 290.411 2.093 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000930282839 648075321 /nfs/dbraw/zinc/07/53/21/648075321.db2.gz PRJGULKDYRTAMT-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCCN(CCC[NH+](C)C)C(=O)CCCn1cc[nH+]c1C ZINC000787765389 648137035 /nfs/dbraw/zinc/13/70/35/648137035.db2.gz NXWHNQNTPHVMES-UHFFFAOYSA-N 2 1 294.443 2.162 20 0 CEADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n(C)n1 ZINC000793526070 648770126 /nfs/dbraw/zinc/77/01/26/648770126.db2.gz WMIJAZPHKFFWOK-IHRRRGAJSA-N 2 1 262.401 2.006 20 0 CEADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n(C)n1 ZINC000793526070 648770130 /nfs/dbraw/zinc/77/01/30/648770130.db2.gz WMIJAZPHKFFWOK-IHRRRGAJSA-N 2 1 262.401 2.006 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC[NH2+]CC1CC1 ZINC000870867222 648937826 /nfs/dbraw/zinc/93/78/26/648937826.db2.gz IIPZFKPLYVXMMV-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870990915 648972224 /nfs/dbraw/zinc/97/22/24/648972224.db2.gz HHYCYTAPTGTTIN-RHSMWYFYSA-N 2 1 295.471 2.084 20 0 CEADMP Cc1nc(C)c(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000871784456 649184535 /nfs/dbraw/zinc/18/45/35/649184535.db2.gz FZOGANFNQDNZFW-YHWZYXNKSA-N 2 1 292.383 2.163 20 0 CEADMP Cc1nc(C)c(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000871784456 649184538 /nfs/dbraw/zinc/18/45/38/649184538.db2.gz FZOGANFNQDNZFW-YHWZYXNKSA-N 2 1 292.383 2.163 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1C[C@H]2CCC[C@H]2O1 ZINC000872106118 649278535 /nfs/dbraw/zinc/27/85/35/649278535.db2.gz DYPZKIFOSCTQKF-DAXOMENPSA-N 2 1 264.413 2.160 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC[N@@H+]1C ZINC000872123074 649284488 /nfs/dbraw/zinc/28/44/88/649284488.db2.gz LWSCFCCWHXRAQL-ZYHUDNBSSA-N 2 1 275.352 2.106 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC[N@H+]1C ZINC000872123074 649284490 /nfs/dbraw/zinc/28/44/90/649284490.db2.gz LWSCFCCWHXRAQL-ZYHUDNBSSA-N 2 1 275.352 2.106 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000872126076 649284854 /nfs/dbraw/zinc/28/48/54/649284854.db2.gz JQQBBFZYJWDMAW-NRSFXHEJSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000872142510 649291213 /nfs/dbraw/zinc/29/12/13/649291213.db2.gz YZLKWUZWUPROEZ-IHRRRGAJSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000872142510 649291216 /nfs/dbraw/zinc/29/12/16/649291216.db2.gz YZLKWUZWUPROEZ-IHRRRGAJSA-N 2 1 252.402 2.147 20 0 CEADMP C(c1nc2c(o1)CCCC2)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000872142601 649292281 /nfs/dbraw/zinc/29/22/81/649292281.db2.gz BGRAKBFSVVPBNE-KBPBESRZSA-N 2 1 289.423 2.375 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000872143868 649293709 /nfs/dbraw/zinc/29/37/09/649293709.db2.gz YZLPXBXAJSVKQK-HMDCTGQHSA-N 2 1 278.440 2.266 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1C ZINC000872144785 649294838 /nfs/dbraw/zinc/29/48/38/649294838.db2.gz ITDJAIVPMSOUMX-AWEZNQCLSA-N 2 1 278.396 2.245 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@H]1CC(C)(C)CO1)CC[NH2+]CC2 ZINC000872144520 649294879 /nfs/dbraw/zinc/29/48/79/649294879.db2.gz HATLJODQWOBTBK-UONOGXRCSA-N 2 1 266.429 2.266 20 0 CEADMP CC1([NH+]2CCCCC2)CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000872146057 649296969 /nfs/dbraw/zinc/29/69/69/649296969.db2.gz CYUCOOLBEVIGLX-INIZCTEOSA-N 2 1 279.472 2.326 20 0 CEADMP CCOC(=O)C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156475 649299347 /nfs/dbraw/zinc/29/93/47/649299347.db2.gz KBYWUWOULYORKY-DZGCQCFKSA-N 2 1 282.428 2.169 20 0 CEADMP CCOC(=O)C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156475 649299350 /nfs/dbraw/zinc/29/93/50/649299350.db2.gz KBYWUWOULYORKY-DZGCQCFKSA-N 2 1 282.428 2.169 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157697 649300158 /nfs/dbraw/zinc/30/01/58/649300158.db2.gz PRRYXPZYNFXLMD-GOEBONIOSA-N 3 1 267.461 2.216 20 0 CEADMP CCC(CC)(C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(F)(F)F ZINC000872225413 649322141 /nfs/dbraw/zinc/32/21/41/649322141.db2.gz AHEXRVUKDZUAOT-LBPRGKRZSA-N 2 1 296.377 2.400 20 0 CEADMP CCC(CC)(C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(F)(F)F ZINC000872225413 649322143 /nfs/dbraw/zinc/32/21/43/649322143.db2.gz AHEXRVUKDZUAOT-LBPRGKRZSA-N 2 1 296.377 2.400 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000873133449 649565876 /nfs/dbraw/zinc/56/58/76/649565876.db2.gz HXGUDPAVOTWQGM-GJZGRUSLSA-N 2 1 298.471 2.017 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@H](C)[C@H](C)O1 ZINC000873209213 649590576 /nfs/dbraw/zinc/59/05/76/649590576.db2.gz JTVQXUYQOKMUGN-UTUOFQBUSA-N 2 1 280.437 2.392 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@H](C)[C@H](C)O1 ZINC000873209213 649590580 /nfs/dbraw/zinc/59/05/80/649590580.db2.gz JTVQXUYQOKMUGN-UTUOFQBUSA-N 2 1 280.437 2.392 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c2NCC3)C[C@H]1C(F)(F)F ZINC000873227586 649599765 /nfs/dbraw/zinc/59/97/65/649599765.db2.gz JIOCAAHPQWRJPQ-CHWSQXEVSA-N 2 1 299.340 2.224 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)C[C@H]1C(F)(F)F ZINC000873227586 649599767 /nfs/dbraw/zinc/59/97/67/649599767.db2.gz JIOCAAHPQWRJPQ-CHWSQXEVSA-N 2 1 299.340 2.224 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000873229199 649600652 /nfs/dbraw/zinc/60/06/52/649600652.db2.gz OUUFQLCKWXNSCQ-WOPDTQHZSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000873229199 649600656 /nfs/dbraw/zinc/60/06/56/649600656.db2.gz OUUFQLCKWXNSCQ-WOPDTQHZSA-N 2 1 280.334 2.028 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000873229255 649600683 /nfs/dbraw/zinc/60/06/83/649600683.db2.gz QOWXZHJQKXUICT-KKUMJFAQSA-N 2 1 282.428 2.040 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCC(C)(C)CN1 ZINC000873236192 649604292 /nfs/dbraw/zinc/60/42/92/649604292.db2.gz YIXBOYYLLMETPJ-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)[C@H]1CCCOC1 ZINC000873238278 649605508 /nfs/dbraw/zinc/60/55/08/649605508.db2.gz YXRCZVPVGSYZNI-IHRRRGAJSA-N 2 1 254.418 2.169 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000873258003 649613404 /nfs/dbraw/zinc/61/34/04/649613404.db2.gz WQHYCPXHXKDQRC-DDBAPUKQSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000873258003 649613408 /nfs/dbraw/zinc/61/34/08/649613408.db2.gz WQHYCPXHXKDQRC-DDBAPUKQSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000873263753 649616700 /nfs/dbraw/zinc/61/67/00/649616700.db2.gz ZJDFOOVRBAJANZ-GWCFXTLKSA-N 2 1 298.228 2.322 20 0 CEADMP COCC(C)(C)CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000873281330 649623758 /nfs/dbraw/zinc/62/37/58/649623758.db2.gz HQWSRUGLLQWODB-NSHDSACASA-N 2 1 251.374 2.207 20 0 CEADMP C[NH+]1CCC2(CC[N@H+](Cc3cnc(Cl)cn3)C2)CC1 ZINC000878866106 651200296 /nfs/dbraw/zinc/20/02/96/651200296.db2.gz HRWVRETUHODBDX-UHFFFAOYSA-N 2 1 280.803 2.048 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cnc(Cl)cn3)C2)CC1 ZINC000878866106 651200297 /nfs/dbraw/zinc/20/02/97/651200297.db2.gz HRWVRETUHODBDX-UHFFFAOYSA-N 2 1 280.803 2.048 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H]2CCC(C)(C)CO2)CCO1 ZINC000879000272 651225899 /nfs/dbraw/zinc/22/58/99/651225899.db2.gz APTQQRWWUKMAHY-JKSUJKDBSA-N 2 1 298.471 2.234 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H]2CCC(C)(C)CO2)CCO1 ZINC000879000272 651225903 /nfs/dbraw/zinc/22/59/03/651225903.db2.gz APTQQRWWUKMAHY-JKSUJKDBSA-N 2 1 298.471 2.234 20 0 CEADMP C=C/C=C/CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000879000487 651225952 /nfs/dbraw/zinc/22/59/52/651225952.db2.gz DUFHVCIEBUKLEU-LLYBFZRZSA-N 2 1 252.402 2.161 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC1 ZINC000879530071 651317604 /nfs/dbraw/zinc/31/76/04/651317604.db2.gz LCRFZNMUIHQKND-HDICACEKSA-N 2 1 291.483 2.301 20 0 CEADMP Cc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879568097 651323657 /nfs/dbraw/zinc/32/36/57/651323657.db2.gz YJNPZTFCOXEEEV-HOTGVXAUSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879568097 651323658 /nfs/dbraw/zinc/32/36/58/651323658.db2.gz YJNPZTFCOXEEEV-HOTGVXAUSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879568097 651323660 /nfs/dbraw/zinc/32/36/60/651323660.db2.gz YJNPZTFCOXEEEV-HOTGVXAUSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879568097 651323661 /nfs/dbraw/zinc/32/36/61/651323661.db2.gz YJNPZTFCOXEEEV-HOTGVXAUSA-N 2 1 274.408 2.400 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCCOc3ccccc3)CC[C@H]21 ZINC000879572400 651324422 /nfs/dbraw/zinc/32/44/22/651324422.db2.gz PRQMTFBCDCQPNH-DOTOQJQBSA-N 2 1 274.408 2.482 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCCOc3ccccc3)CC[C@H]21 ZINC000879572400 651324423 /nfs/dbraw/zinc/32/44/23/651324423.db2.gz PRQMTFBCDCQPNH-DOTOQJQBSA-N 2 1 274.408 2.482 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCOc3ccccc3)CC[C@H]21 ZINC000879572400 651324424 /nfs/dbraw/zinc/32/44/24/651324424.db2.gz PRQMTFBCDCQPNH-DOTOQJQBSA-N 2 1 274.408 2.482 20 0 CEADMP CN(CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)c1ccccc1 ZINC000879577427 651325076 /nfs/dbraw/zinc/32/50/76/651325076.db2.gz XTPRWXGGVLFIPZ-RDJZCZTQSA-N 2 1 273.424 2.149 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879578590 651325931 /nfs/dbraw/zinc/32/59/31/651325931.db2.gz FOLOYNMSNFQDDI-VDHUWJSZSA-N 2 1 288.435 2.177 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879578590 651325932 /nfs/dbraw/zinc/32/59/32/651325932.db2.gz FOLOYNMSNFQDDI-VDHUWJSZSA-N 2 1 288.435 2.177 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879578590 651325933 /nfs/dbraw/zinc/32/59/33/651325933.db2.gz FOLOYNMSNFQDDI-VDHUWJSZSA-N 2 1 288.435 2.177 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC(C)(C)CO3)CC[C@H]21 ZINC000879578642 651325972 /nfs/dbraw/zinc/32/59/72/651325972.db2.gz GFJSXWZCJPDLRL-RBSFLKMASA-N 2 1 266.429 2.218 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC(C)(C)CO3)CC[C@H]21 ZINC000879578642 651325973 /nfs/dbraw/zinc/32/59/73/651325973.db2.gz GFJSXWZCJPDLRL-RBSFLKMASA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC(C)(C)CO3)CC[C@H]21 ZINC000879578642 651325974 /nfs/dbraw/zinc/32/59/74/651325974.db2.gz GFJSXWZCJPDLRL-RBSFLKMASA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC(C)(C)CO3)CC[C@H]21 ZINC000879578642 651325975 /nfs/dbraw/zinc/32/59/75/651325975.db2.gz GFJSXWZCJPDLRL-RBSFLKMASA-N 2 1 266.429 2.218 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCN3CCc4ccccc43)CC[C@@H]21 ZINC000879579907 651326686 /nfs/dbraw/zinc/32/66/86/651326686.db2.gz QCELRZFJPOIRMU-SJORKVTESA-N 2 1 285.435 2.075 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCN3CCc4ccccc43)CC[C@@H]21 ZINC000879579907 651326687 /nfs/dbraw/zinc/32/66/87/651326687.db2.gz QCELRZFJPOIRMU-SJORKVTESA-N 2 1 285.435 2.075 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCN3CCc4ccccc43)CC[C@@H]21 ZINC000879579907 651326688 /nfs/dbraw/zinc/32/66/88/651326688.db2.gz QCELRZFJPOIRMU-SJORKVTESA-N 2 1 285.435 2.075 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCc3ccncc3)CC[C@@H]21 ZINC000879580396 651326873 /nfs/dbraw/zinc/32/68/73/651326873.db2.gz HBXBYPOWJHDMMA-CVEARBPZSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCc3ccncc3)CC[C@@H]21 ZINC000879580396 651326874 /nfs/dbraw/zinc/32/68/74/651326874.db2.gz HBXBYPOWJHDMMA-CVEARBPZSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCc3ccncc3)CC[C@@H]21 ZINC000879580396 651326875 /nfs/dbraw/zinc/32/68/75/651326875.db2.gz HBXBYPOWJHDMMA-CVEARBPZSA-N 2 1 259.397 2.040 20 0 CEADMP CC(C)C[N@@H+](C[C@H]1COC(C)(C)O1)CC1CC[NH+](C)CC1 ZINC000879703280 651341500 /nfs/dbraw/zinc/34/15/00/651341500.db2.gz GUJUWPAXQBJWBN-INIZCTEOSA-N 2 1 298.471 2.438 20 0 CEADMP CCN(C#N)CC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703448 651341724 /nfs/dbraw/zinc/34/17/24/651341724.db2.gz MSPPGITYDODZRX-UHFFFAOYSA-N 2 1 280.460 2.089 20 0 CEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880200849 651400585 /nfs/dbraw/zinc/40/05/85/651400585.db2.gz DTMXKGXUAZFDQB-IVSAIRAKSA-N 2 1 278.440 2.266 20 0 CEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880200849 651400586 /nfs/dbraw/zinc/40/05/86/651400586.db2.gz DTMXKGXUAZFDQB-IVSAIRAKSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@H]1C[N@@H+](CCCCF)CCN1c1cc[nH+]cc1 ZINC000880258958 651411780 /nfs/dbraw/zinc/41/17/80/651411780.db2.gz FHZAFXNQXLXXKV-ZDUSSCGKSA-N 2 1 251.349 2.342 20 0 CEADMP CC(C)C(=O)CC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261410 651412311 /nfs/dbraw/zinc/41/23/11/651412311.db2.gz VQRAQWYJCWBNAU-CQSZACIVSA-N 2 1 275.396 2.207 20 0 CEADMP CCN1C[C@H](C[N@@H+](C)CCCC[NH+]2CCCCC2)OC1=O ZINC000880517042 651454084 /nfs/dbraw/zinc/45/40/84/651454084.db2.gz IPLMDUWYLKBSOC-HNNXBMFYSA-N 2 1 297.443 2.025 20 0 CEADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2C(=O)C(C)(C)C2(C)C)C1 ZINC000129302125 651905553 /nfs/dbraw/zinc/90/55/53/651905553.db2.gz RWEOOSJOOHWSNM-KBPBESRZSA-N 2 1 293.455 2.007 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2C(=O)C(C)(C)C2(C)C)C1 ZINC000129302125 651905556 /nfs/dbraw/zinc/90/55/56/651905556.db2.gz RWEOOSJOOHWSNM-KBPBESRZSA-N 2 1 293.455 2.007 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CN2C(=O)C(C)(C)C2(C)C)C1 ZINC000129302125 651905557 /nfs/dbraw/zinc/90/55/57/651905557.db2.gz RWEOOSJOOHWSNM-KBPBESRZSA-N 2 1 293.455 2.007 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CN2C(=O)C(C)(C)C2(C)C)C1 ZINC000129302125 651905562 /nfs/dbraw/zinc/90/55/62/651905562.db2.gz RWEOOSJOOHWSNM-KBPBESRZSA-N 2 1 293.455 2.007 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccncc2N)CC1 ZINC000882904891 652263306 /nfs/dbraw/zinc/26/33/06/652263306.db2.gz NRWVKEHOCRHLDC-UHFFFAOYSA-N 2 1 262.401 2.016 20 0 CEADMP CC[N@H+]1CC[C@H]1CNc1cc[nH+]cc1C(F)(F)F ZINC000882958896 652290543 /nfs/dbraw/zinc/29/05/43/652290543.db2.gz NWSSUNGUWRIFMO-VIFPVBQESA-N 2 1 259.275 2.028 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000883028410 652332317 /nfs/dbraw/zinc/33/23/17/652332317.db2.gz KAMDJGQMHSEHTQ-OLZOCXBDSA-N 2 1 290.363 2.348 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000883188485 652394046 /nfs/dbraw/zinc/39/40/46/652394046.db2.gz KZWNDCCPPKRZEK-CYBMUJFWSA-N 2 1 290.363 2.208 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000883188485 652394047 /nfs/dbraw/zinc/39/40/47/652394047.db2.gz KZWNDCCPPKRZEK-CYBMUJFWSA-N 2 1 290.363 2.208 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCC[C@]23CCCO3)s1 ZINC000883370245 652447171 /nfs/dbraw/zinc/44/71/71/652447171.db2.gz INCIHURCXCXRSR-HIFRSBDPSA-N 2 1 295.452 2.396 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CCC3(COC3)CC2)CC1 ZINC000883378362 652449685 /nfs/dbraw/zinc/44/96/85/652449685.db2.gz JHPBKBQWAIPYGN-UHFFFAOYSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CCC2(CCOCC2)O1 ZINC000883441864 652471249 /nfs/dbraw/zinc/47/12/49/652471249.db2.gz ZDXYRCCQVISBTN-OAHLLOKOSA-N 2 1 284.444 2.166 20 0 CEADMP Cc1ccc2c(C[NH2+][C@@H]3C[C@@H]([NH3+])C3(C)C)cc(=O)oc2c1 ZINC000883442447 652471362 /nfs/dbraw/zinc/47/13/62/652471362.db2.gz LNRXDNAEXGWLRZ-HUUCEWRRSA-N 2 1 286.375 2.317 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](CF)C2)cc1 ZINC000883447059 652472845 /nfs/dbraw/zinc/47/28/45/652472845.db2.gz RQBYXMRRPGGCPV-ZFWWWQNUSA-N 2 1 280.387 2.419 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2cncc3ccccc32)CC1 ZINC000135371972 652967448 /nfs/dbraw/zinc/96/74/48/652967448.db2.gz KOAXSXRBUMVVRQ-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)CC1 ZINC000885927126 653070139 /nfs/dbraw/zinc/07/01/39/653070139.db2.gz NLJOREPORNGYDE-RRFJBIMHSA-N 2 1 254.418 2.264 20 0 CEADMP CCOc1cc[nH+]c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001164772996 721288492 /nfs/dbraw/zinc/28/84/92/721288492.db2.gz LIELVBGKBDPQQC-UHFFFAOYSA-N 2 1 287.407 2.402 20 0 CEADMP OCC[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994672 805598811 /nfs/dbraw/zinc/59/88/11/805598811.db2.gz JWCSXONZFMJEQF-QTXGHNMQSA-N 2 1 292.467 2.486 20 0 CEADMP OCC[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167994672 805598817 /nfs/dbraw/zinc/59/88/17/805598817.db2.gz JWCSXONZFMJEQF-QTXGHNMQSA-N 2 1 292.467 2.486 20 0 CEADMP OCC[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167994672 805598825 /nfs/dbraw/zinc/59/88/25/805598825.db2.gz JWCSXONZFMJEQF-QTXGHNMQSA-N 2 1 292.467 2.486 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC[N@H+]1CC ZINC001087749699 805787159 /nfs/dbraw/zinc/78/71/59/805787159.db2.gz VOMUTOMQEWSTMW-ARFHVFGLSA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1CC ZINC001087749699 805787164 /nfs/dbraw/zinc/78/71/64/805787164.db2.gz VOMUTOMQEWSTMW-ARFHVFGLSA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC[NH+]1CC ZINC001087749699 805787170 /nfs/dbraw/zinc/78/71/70/805787170.db2.gz VOMUTOMQEWSTMW-ARFHVFGLSA-N 2 1 295.471 2.238 20 0 CEADMP CCCC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001203442192 805792986 /nfs/dbraw/zinc/79/29/86/805792986.db2.gz GBQSWNZYVVCFEH-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP CC(C)CC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168029472 805818974 /nfs/dbraw/zinc/81/89/74/805818974.db2.gz FYERAWRHBOVGKX-HZPDHXFCSA-N 2 1 295.471 2.145 20 0 CEADMP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001271169157 805872745 /nfs/dbraw/zinc/87/27/45/805872745.db2.gz CFJVOXPJYRSRNX-KQLNYGGHSA-N 2 1 295.471 2.121 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715064555 814926076 /nfs/dbraw/zinc/92/60/76/814926076.db2.gz WDHDLHBIPBOVHA-OAGGEKHMSA-N 2 1 266.429 2.002 20 0 CEADMP CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001271342387 805917192 /nfs/dbraw/zinc/91/71/92/805917192.db2.gz XPUMWVINRXDUSF-HZPDHXFCSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001029739710 806057980 /nfs/dbraw/zinc/05/79/80/806057980.db2.gz KOZYFNROYLDFKK-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001029739710 806057989 /nfs/dbraw/zinc/05/79/89/806057989.db2.gz KOZYFNROYLDFKK-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001029739710 806057998 /nfs/dbraw/zinc/05/79/98/806057998.db2.gz KOZYFNROYLDFKK-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001029758989 806064263 /nfs/dbraw/zinc/06/42/63/806064263.db2.gz ILXYIEDGBVTQHM-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001029758989 806064270 /nfs/dbraw/zinc/06/42/70/806064270.db2.gz ILXYIEDGBVTQHM-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001029758989 806064279 /nfs/dbraw/zinc/06/42/79/806064279.db2.gz ILXYIEDGBVTQHM-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC)C1 ZINC001088323795 806118183 /nfs/dbraw/zinc/11/81/83/806118183.db2.gz ZCOKMHYTOJKMRT-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001088336307 806133536 /nfs/dbraw/zinc/13/35/36/806133536.db2.gz ARRAYJPGADLXAB-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+](C)Cc1c(F)cc(N[C@H]2C[NH2+]CC[C@H]2F)cc1F ZINC001168233779 806428188 /nfs/dbraw/zinc/42/81/88/806428188.db2.gz IIULJGMSGGPOAJ-RISCZKNCSA-N 2 1 287.329 2.138 20 0 CEADMP C[NH+](C)C1CCC(N2CC[NH+](C3CCC3)CC2)CC1 ZINC001168315040 806649062 /nfs/dbraw/zinc/64/90/62/806649062.db2.gz PWWOXOWKCKYHKL-UHFFFAOYSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)Cc2nnc3ccccn32)CC1 ZINC001168315548 806649129 /nfs/dbraw/zinc/64/91/29/806649129.db2.gz YJAXBCDSFGOHTO-UHFFFAOYSA-N 2 1 287.411 2.034 20 0 CEADMP CC[N@@H+](C1CCC([NH+](C)C)CC1)C1CCN(C)CC1 ZINC001168323151 806653121 /nfs/dbraw/zinc/65/31/21/806653121.db2.gz SDKXDLRLROFORP-UHFFFAOYSA-N 2 1 267.461 2.275 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](Oc3ccncc3)C2)CC1 ZINC001168326933 806655850 /nfs/dbraw/zinc/65/58/50/806655850.db2.gz FPULSYFQUDORFV-DQPZFDDXSA-N 2 1 289.423 2.408 20 0 CEADMP C[C@H](CCNC1=[NH+]CCCCN1)[N@@H+](C)Cc1ccccc1 ZINC000697747101 806684782 /nfs/dbraw/zinc/68/47/82/806684782.db2.gz NFVFMNXPMHVCMG-OAHLLOKOSA-N 2 1 288.439 2.226 20 0 CEADMP COc1cc(F)cc(C[NH2+]CC[C@@H](C)[NH+](C)C)c1 ZINC000697830033 806701396 /nfs/dbraw/zinc/70/13/96/806701396.db2.gz RVYZBOPKCKFPID-LLVKDONJSA-N 2 1 254.349 2.264 20 0 CEADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)C[N@H+](C)C(C)C ZINC001142590326 806744378 /nfs/dbraw/zinc/74/43/78/806744378.db2.gz UKCCQTVNJORPCP-HNNXBMFYSA-N 2 1 289.423 2.462 20 0 CEADMP CCCC[N@@H+](CCO)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000148556568 806839507 /nfs/dbraw/zinc/83/95/07/806839507.db2.gz ILSNRMDVXSBBGP-UHFFFAOYSA-N 2 1 256.434 2.390 20 0 CEADMP Cc1cc2c(cn1)C[N@@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208108677 802342481 /nfs/dbraw/zinc/34/24/81/802342481.db2.gz GRCGUCVPHLMBFP-UHFFFAOYSA-N 2 1 259.397 2.438 20 0 CEADMP Cc1cc2c(cn1)C[N@H+](CC1(C)CC[NH+](C)CC1)C2 ZINC001208108677 802342489 /nfs/dbraw/zinc/34/24/89/802342489.db2.gz GRCGUCVPHLMBFP-UHFFFAOYSA-N 2 1 259.397 2.438 20 0 CEADMP CCOC(=O)[C@]1(C)CCCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001209846433 802575763 /nfs/dbraw/zinc/57/57/63/802575763.db2.gz SOGPDRPXCUSWKM-QGZVFWFLSA-N 2 1 296.455 2.431 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1COc2ccccc2O1 ZINC000710841973 809996191 /nfs/dbraw/zinc/99/61/91/809996191.db2.gz MLNBQBLUNWRIAC-CQSZACIVSA-N 2 1 278.396 2.277 20 0 CEADMP Cc1cc[nH+]c(C)c1N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001167374675 802746131 /nfs/dbraw/zinc/74/61/31/802746131.db2.gz RFFKDLHQFANYRO-UHFFFAOYSA-N 2 1 297.402 2.433 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066046 807001722 /nfs/dbraw/zinc/00/17/22/807001722.db2.gz IEMPXJVIKHRFAJ-HNNXBMFYSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266693448 802846050 /nfs/dbraw/zinc/84/60/50/802846050.db2.gz ZQZYLVQCVAHTTB-OWCLPIDISA-N 2 1 293.455 2.064 20 0 CEADMP CC(C)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000382248770 802851900 /nfs/dbraw/zinc/85/19/00/802851900.db2.gz AAKKGCKUKFXJRL-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000723610410 802903379 /nfs/dbraw/zinc/90/33/79/802903379.db2.gz RJSONDSDTSCLGD-IJEWVQPXSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001266826329 802926494 /nfs/dbraw/zinc/92/64/94/802926494.db2.gz PRKPLRBPTMESNS-INIZCTEOSA-N 2 1 295.471 2.121 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000398966127 802929094 /nfs/dbraw/zinc/92/90/94/802929094.db2.gz RBMRDNVMUFLXFN-QLFBSQMISA-N 3 1 255.450 2.227 20 0 CEADMP Cc1cc(C)nc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000723878714 802959928 /nfs/dbraw/zinc/95/99/28/802959928.db2.gz FZZBOCFYLXBQPM-GDBMZVCRSA-N 2 1 259.397 2.272 20 0 CEADMP Cc1cc(C)nc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000723878714 802959933 /nfs/dbraw/zinc/95/99/33/802959933.db2.gz FZZBOCFYLXBQPM-GDBMZVCRSA-N 2 1 259.397 2.272 20 0 CEADMP C[C@@H]1CC[C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000399195449 802978295 /nfs/dbraw/zinc/97/82/95/802978295.db2.gz RSHRIEVZPBPDTC-NXHRZFHOSA-N 2 1 287.451 2.239 20 0 CEADMP CC(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001038238027 803123843 /nfs/dbraw/zinc/12/38/43/803123843.db2.gz DTQMCUCARBMQCZ-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001038238027 803123845 /nfs/dbraw/zinc/12/38/45/803123845.db2.gz DTQMCUCARBMQCZ-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@]1(C(F)(F)F)C[N@H+](CCCCCC[NH3+])CCO1 ZINC000712824279 814838210 /nfs/dbraw/zinc/83/82/10/814838210.db2.gz ASYLCUFHHGPPGZ-LLVKDONJSA-N 2 1 268.323 2.159 20 0 CEADMP C[C@]1(C(F)(F)F)C[N@@H+](CCCCCC[NH3+])CCO1 ZINC000712824279 814838213 /nfs/dbraw/zinc/83/82/13/814838213.db2.gz ASYLCUFHHGPPGZ-LLVKDONJSA-N 2 1 268.323 2.159 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CC[NH2+]CCC2(C)C)cc1 ZINC000712589975 814754938 /nfs/dbraw/zinc/75/49/38/814754938.db2.gz YGKBFDRGPVSWNE-UHFFFAOYSA-N 2 1 276.380 2.047 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[NH2+]CCC2(C)C)cc1 ZINC000712589975 814754943 /nfs/dbraw/zinc/75/49/43/814754943.db2.gz YGKBFDRGPVSWNE-UHFFFAOYSA-N 2 1 276.380 2.047 20 0 CEADMP CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001267436112 803466325 /nfs/dbraw/zinc/46/63/25/803466325.db2.gz HVUFULGOIHNMSO-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP CC[N@@H+](CCN1CCCCC1)CC1CC[NH+](C)CC1 ZINC001207398566 803487810 /nfs/dbraw/zinc/48/78/10/803487810.db2.gz AAIKYFKDVZXIQE-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267627499 803630916 /nfs/dbraw/zinc/63/09/16/803630916.db2.gz FKDDHVQKRKOLFQ-HOTGVXAUSA-N 2 1 295.471 2.119 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CC[C@@H](C3CC3)O1)C2 ZINC000715395144 814953153 /nfs/dbraw/zinc/95/31/53/814953153.db2.gz QAFYIIBZIZDMLX-FZKCQIBNSA-N 2 1 264.413 2.005 20 0 CEADMP C[NH+]1CCC(CC[N@H+]2CC[C@H]3OCCC[C@H]3C2)CC1 ZINC001207479424 803732986 /nfs/dbraw/zinc/73/29/86/803732986.db2.gz IOTGZGXSCOEOPH-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)C(C)C)C2)CC[N@H+]1C ZINC001027418070 804066660 /nfs/dbraw/zinc/06/66/60/804066660.db2.gz QHHOPRSYPBTPMV-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)C(C)C)C2)CC[NH+]1C ZINC001027418070 804066671 /nfs/dbraw/zinc/06/66/71/804066671.db2.gz QHHOPRSYPBTPMV-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)C(C)C)C2)CC[NH+]1C ZINC001027418070 804066682 /nfs/dbraw/zinc/06/66/82/804066682.db2.gz QHHOPRSYPBTPMV-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)[C@@H]1CCC[NH2+]1 ZINC000423104484 804111826 /nfs/dbraw/zinc/11/18/26/804111826.db2.gz BODQHSFDGQQYBB-CFVMTHIKSA-N 2 1 260.381 2.110 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577141 804133473 /nfs/dbraw/zinc/13/34/73/804133473.db2.gz FTGXRROTHKTBNV-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027577141 804133480 /nfs/dbraw/zinc/13/34/80/804133480.db2.gz FTGXRROTHKTBNV-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001027577141 804133484 /nfs/dbraw/zinc/13/34/84/804133484.db2.gz FTGXRROTHKTBNV-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027878940 804314020 /nfs/dbraw/zinc/31/40/20/804314020.db2.gz KHANUJNDYJVZMN-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001027878940 804314029 /nfs/dbraw/zinc/31/40/29/804314029.db2.gz KHANUJNDYJVZMN-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001027878940 804314038 /nfs/dbraw/zinc/31/40/38/804314038.db2.gz KHANUJNDYJVZMN-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCOC(=O)[C@@H]1CC[N@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167824234 804378896 /nfs/dbraw/zinc/37/88/96/804378896.db2.gz CTPTZTUEWYPYBR-HUUCEWRRSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001167828415 804396535 /nfs/dbraw/zinc/39/65/35/804396535.db2.gz YGKPBRFMNFNKPP-BZUAXINKSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC=C(C)C)CC1 ZINC001167836530 804429893 /nfs/dbraw/zinc/42/98/93/804429893.db2.gz YJRYKOUDYLAMLN-UHFFFAOYSA-N 2 1 295.471 2.171 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)CCC(=O)OC ZINC001167841400 804444300 /nfs/dbraw/zinc/44/43/00/804444300.db2.gz MHZMYDAKMVRLLA-CQSZACIVSA-N 2 1 272.433 2.382 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2c(cnn2C)C1 ZINC001167841344 804444491 /nfs/dbraw/zinc/44/44/91/804444491.db2.gz KVTICUCFLFLPSQ-CQSZACIVSA-N 2 1 278.444 2.289 20 0 CEADMP CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001028579559 804846891 /nfs/dbraw/zinc/84/68/91/804846891.db2.gz GXVLOWBUMKFPOP-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001028579559 804846898 /nfs/dbraw/zinc/84/68/98/804846898.db2.gz GXVLOWBUMKFPOP-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001028579559 804846901 /nfs/dbraw/zinc/84/69/01/804846901.db2.gz GXVLOWBUMKFPOP-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001268683747 804926716 /nfs/dbraw/zinc/92/67/16/804926716.db2.gz ZCOJCGFMZUGVBS-HOCLYGCPSA-N 2 1 293.455 2.065 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000165088107 807037184 /nfs/dbraw/zinc/03/71/84/807037184.db2.gz YGIPOTAXQUYQKR-OCCSQVGLSA-N 2 1 255.365 2.404 20 0 CEADMP CC(C)=CC[NH2+]C[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001269652399 805223492 /nfs/dbraw/zinc/22/34/92/805223492.db2.gz PRIVYDKCVMUBQR-QGZVFWFLSA-N 2 1 295.471 2.167 20 0 CEADMP CC(C)OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960409 805323429 /nfs/dbraw/zinc/32/34/29/805323429.db2.gz YVAJEQDBSVVJDG-MQVJKMGUSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167964308 805446189 /nfs/dbraw/zinc/44/61/89/805446189.db2.gz OPNYMUGZXHQJOH-OOKSDGMUSA-N 2 1 291.483 2.323 20 0 CEADMP C[NH+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167964308 805446192 /nfs/dbraw/zinc/44/61/92/805446192.db2.gz OPNYMUGZXHQJOH-OOKSDGMUSA-N 2 1 291.483 2.323 20 0 CEADMP C[NH+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167964308 805446195 /nfs/dbraw/zinc/44/61/95/805446195.db2.gz OPNYMUGZXHQJOH-OOKSDGMUSA-N 2 1 291.483 2.323 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167964308 805446197 /nfs/dbraw/zinc/44/61/97/805446197.db2.gz OPNYMUGZXHQJOH-OOKSDGMUSA-N 3 1 291.483 2.323 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167964308 805446200 /nfs/dbraw/zinc/44/62/00/805446200.db2.gz OPNYMUGZXHQJOH-OOKSDGMUSA-N 3 1 291.483 2.323 20 0 CEADMP C[NH+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167964308 805446203 /nfs/dbraw/zinc/44/62/03/805446203.db2.gz OPNYMUGZXHQJOH-OOKSDGMUSA-N 3 1 291.483 2.323 20 0 CEADMP C[NH+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167964308 805446204 /nfs/dbraw/zinc/44/62/04/805446204.db2.gz OPNYMUGZXHQJOH-OOKSDGMUSA-N 3 1 291.483 2.323 20 0 CEADMP F[C@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967531 805488914 /nfs/dbraw/zinc/48/89/14/805488914.db2.gz GVVJGTQSGANNDS-AQBKWJQSSA-N 2 1 282.403 2.108 20 0 CEADMP F[C@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967531 805488921 /nfs/dbraw/zinc/48/89/21/805488921.db2.gz GVVJGTQSGANNDS-AQBKWJQSSA-N 2 1 282.403 2.108 20 0 CEADMP C[NH+](C)CCCCO[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001225000570 807098513 /nfs/dbraw/zinc/09/85/13/807098513.db2.gz GVRIPNOQDJJQLP-QDMKHBRRSA-N 2 1 254.418 2.075 20 0 CEADMP CCn1nc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc21 ZINC000229092018 807235808 /nfs/dbraw/zinc/23/58/08/807235808.db2.gz HYMNYQQFDMPBPD-KGLIPLIRSA-N 2 1 286.423 2.473 20 0 CEADMP CCn1nc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc21 ZINC000229092018 807235812 /nfs/dbraw/zinc/23/58/12/807235812.db2.gz HYMNYQQFDMPBPD-KGLIPLIRSA-N 2 1 286.423 2.473 20 0 CEADMP C[N@H+](C[C@@H]1CCC2(CCC2)CO1)[C@@H](C[NH3+])C1CC1 ZINC000716296829 815111106 /nfs/dbraw/zinc/11/11/06/815111106.db2.gz WGTWHAHRGDHSEX-KBPBESRZSA-N 2 1 252.402 2.005 20 0 CEADMP C[N@@H+](C[C@@H]1CCC2(CCC2)CO1)[C@@H](C[NH3+])C1CC1 ZINC000716296829 815111110 /nfs/dbraw/zinc/11/11/10/815111110.db2.gz WGTWHAHRGDHSEX-KBPBESRZSA-N 2 1 252.402 2.005 20 0 CEADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000716302819 815112442 /nfs/dbraw/zinc/11/24/42/815112442.db2.gz QXBLYHNOOPAHGL-ZNMIVQPWSA-N 2 1 264.413 2.020 20 0 CEADMP c1nc(C[NH2+]CCCCC[NH+]2CCCCC2)c[nH]1 ZINC001119443509 815113020 /nfs/dbraw/zinc/11/30/20/815113020.db2.gz PPUBIERBBJEESF-UHFFFAOYSA-N 2 1 250.390 2.156 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001089220184 807434372 /nfs/dbraw/zinc/43/43/72/807434372.db2.gz GDFHPHKDMDUNFL-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127260700 807561384 /nfs/dbraw/zinc/56/13/84/807561384.db2.gz DNLKHPYOOQRFSI-CVEARBPZSA-N 2 1 295.471 2.147 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089333618 807755532 /nfs/dbraw/zinc/75/55/32/807755532.db2.gz BJFGARGOTQTQFT-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089333618 807755533 /nfs/dbraw/zinc/75/55/33/807755533.db2.gz BJFGARGOTQTQFT-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089333618 807755536 /nfs/dbraw/zinc/75/55/36/807755536.db2.gz BJFGARGOTQTQFT-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCC(C)(C)C)C1 ZINC001031439077 807956971 /nfs/dbraw/zinc/95/69/71/807956971.db2.gz BEVPOKPPIHXARO-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCC(C)(C)C)C1 ZINC001031439077 807956977 /nfs/dbraw/zinc/95/69/77/807956977.db2.gz BEVPOKPPIHXARO-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492388 808010259 /nfs/dbraw/zinc/01/02/59/808010259.db2.gz IVQUFOSDGPWNAP-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492388 808010266 /nfs/dbraw/zinc/01/02/66/808010266.db2.gz IVQUFOSDGPWNAP-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492388 808010272 /nfs/dbraw/zinc/01/02/72/808010272.db2.gz IVQUFOSDGPWNAP-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171465387 815173033 /nfs/dbraw/zinc/17/30/33/815173033.db2.gz ICRCZPWBDUCKGS-ZWNOBZJWSA-N 2 1 268.351 2.349 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cc(F)c(F)cc4C3)C[C@@H]2C1 ZINC001171495224 815181114 /nfs/dbraw/zinc/18/11/14/815181114.db2.gz YYOAKTKWNOAIDF-QLFBSQMISA-N 2 1 292.373 2.316 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4cc(F)c(F)cc4C3)C[C@@H]2C1 ZINC001171495224 815181117 /nfs/dbraw/zinc/18/11/17/815181117.db2.gz YYOAKTKWNOAIDF-QLFBSQMISA-N 2 1 292.373 2.316 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4cc(F)c(F)cc4C3)C[C@@H]2C1 ZINC001171495224 815181120 /nfs/dbraw/zinc/18/11/20/815181120.db2.gz YYOAKTKWNOAIDF-QLFBSQMISA-N 2 1 292.373 2.316 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]CCC(C)C ZINC001127680151 808189592 /nfs/dbraw/zinc/18/95/92/808189592.db2.gz SOFOGVOOHWLWEL-CQSZACIVSA-N 2 1 294.443 2.149 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCC3(COC3)C2)CC1(C)C ZINC001171631519 815201465 /nfs/dbraw/zinc/20/14/65/815201465.db2.gz KMDKHFUEIZTTQY-UHFFFAOYSA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171631861 815201900 /nfs/dbraw/zinc/20/19/00/815201900.db2.gz ODZNCVKARHCKHS-TZMCWYRMSA-N 2 1 268.445 2.483 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171596807 815203101 /nfs/dbraw/zinc/20/31/01/815203101.db2.gz RUBTUOSCTGKIQZ-CYBMUJFWSA-N 2 1 271.449 2.001 20 0 CEADMP C[C@@H](CN(C)C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171618734 815205041 /nfs/dbraw/zinc/20/50/41/815205041.db2.gz AXTDIUCKGHAAIZ-LBPRGKRZSA-N 2 1 255.450 2.178 20 0 CEADMP Cc1nc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)oc1C ZINC000257766246 815212683 /nfs/dbraw/zinc/21/26/83/815212683.db2.gz ZQWUNBAVUHNBNL-UHFFFAOYSA-N 2 1 263.385 2.257 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C(C)(C)C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171733511 815215803 /nfs/dbraw/zinc/21/58/03/815215803.db2.gz UMVHHEAVQJWYLR-GDBMZVCRSA-N 2 1 275.440 2.319 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]C[C@H](C)CC(C)C ZINC001171726271 815218452 /nfs/dbraw/zinc/21/84/52/815218452.db2.gz ZPIIMFLOJHOJCX-MRXNPFEDSA-N 2 1 299.503 2.496 20 0 CEADMP C[C@@H]1C[C@@H](N(C)CC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001171747205 815223559 /nfs/dbraw/zinc/22/35/59/815223559.db2.gz XXJQIJJIUKCKMA-NVXWUHKLSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@@H]1C[C@H](n2ncc3c2CC[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC001171753888 815225217 /nfs/dbraw/zinc/22/52/17/815225217.db2.gz YJANLDXVMLTUBH-PBHICJAKSA-N 2 1 296.418 2.364 20 0 CEADMP C[C@H]1C[C@H](N2CC(C)([NH+](C)C)C2)C[N@H+]1Cc1ccccc1 ZINC001171763463 815227538 /nfs/dbraw/zinc/22/75/38/815227538.db2.gz PIVMZJDFBWOLEC-RDJZCZTQSA-N 2 1 287.451 2.285 20 0 CEADMP CCCCCC[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171770598 815230136 /nfs/dbraw/zinc/23/01/36/815230136.db2.gz UKGNLUOZETZFMB-UHFFFAOYSA-N 2 1 271.449 2.004 20 0 CEADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171820826 815234031 /nfs/dbraw/zinc/23/40/31/815234031.db2.gz HKPCUUKRIVOCJR-AWEZNQCLSA-N 2 1 294.443 2.256 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3Cc4cccc(F)c4C3)C[C@@H]2C1 ZINC001171797395 815238709 /nfs/dbraw/zinc/23/87/09/815238709.db2.gz VSPVPBDFEXLLFX-ILXRZTDVSA-N 2 1 274.383 2.176 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3Cc4cccc(F)c4C3)C[C@@H]2C1 ZINC001171797395 815238712 /nfs/dbraw/zinc/23/87/12/815238712.db2.gz VSPVPBDFEXLLFX-ILXRZTDVSA-N 2 1 274.383 2.176 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3Cc4cccc(F)c4C3)C[C@@H]2C1 ZINC001171797395 815238715 /nfs/dbraw/zinc/23/87/15/815238715.db2.gz VSPVPBDFEXLLFX-ILXRZTDVSA-N 2 1 274.383 2.176 20 0 CEADMP CN(CCC[N@@H+](C)C1CC(OC(C)(C)C)C1)CC[NH+](C)C ZINC000451041129 808982658 /nfs/dbraw/zinc/98/26/58/808982658.db2.gz MOWBZUPZQAECKW-UHFFFAOYSA-N 2 1 299.503 2.148 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032960624 809127964 /nfs/dbraw/zinc/12/79/64/809127964.db2.gz XYIJWHJPOGMDLK-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032960624 809127966 /nfs/dbraw/zinc/12/79/66/809127966.db2.gz XYIJWHJPOGMDLK-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032960624 809127968 /nfs/dbraw/zinc/12/79/68/809127968.db2.gz XYIJWHJPOGMDLK-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033069495 809168763 /nfs/dbraw/zinc/16/87/63/809168763.db2.gz JESHXKPJGUPFNI-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033069495 809168766 /nfs/dbraw/zinc/16/87/66/809168766.db2.gz JESHXKPJGUPFNI-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033069495 809168770 /nfs/dbraw/zinc/16/87/70/809168770.db2.gz JESHXKPJGUPFNI-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001033127543 809194864 /nfs/dbraw/zinc/19/48/64/809194864.db2.gz VOTRMCWXOCLXMR-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001033127543 809194869 /nfs/dbraw/zinc/19/48/69/809194869.db2.gz VOTRMCWXOCLXMR-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001033127543 809194872 /nfs/dbraw/zinc/19/48/72/809194872.db2.gz VOTRMCWXOCLXMR-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001033125597 809195595 /nfs/dbraw/zinc/19/55/95/809195595.db2.gz FTJUZRBNQFAVTB-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001033125597 809195597 /nfs/dbraw/zinc/19/55/97/809195597.db2.gz FTJUZRBNQFAVTB-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001033125597 809195602 /nfs/dbraw/zinc/19/56/02/809195602.db2.gz FTJUZRBNQFAVTB-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)cc(OC)c3)C[C@H]2C1 ZINC001143163943 809204316 /nfs/dbraw/zinc/20/43/16/809204316.db2.gz PQJZCABASBENBM-HZPDHXFCSA-N 2 1 274.408 2.387 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC)C1 ZINC001033576234 809344482 /nfs/dbraw/zinc/34/44/82/809344482.db2.gz VPIOBHNMOCFXQT-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC)C1 ZINC001033576234 809344485 /nfs/dbraw/zinc/34/44/85/809344485.db2.gz VPIOBHNMOCFXQT-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC)C1 ZINC001033576234 809344489 /nfs/dbraw/zinc/34/44/89/809344489.db2.gz VPIOBHNMOCFXQT-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP [NH3+]C1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065797 815285358 /nfs/dbraw/zinc/28/53/58/815285358.db2.gz RCRFSJDIZBPQTD-BCDXTJNWSA-N 2 1 285.435 2.215 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033765193 809410258 /nfs/dbraw/zinc/41/02/58/809410258.db2.gz ADVJKQNXXHEQLE-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001033765193 809410260 /nfs/dbraw/zinc/41/02/60/809410260.db2.gz ADVJKQNXXHEQLE-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP COC(=O)C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172127964 815287401 /nfs/dbraw/zinc/28/74/01/815287401.db2.gz MIDHRTBEFWSQRK-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172127964 815287404 /nfs/dbraw/zinc/28/74/04/815287404.db2.gz MIDHRTBEFWSQRK-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172127964 815287407 /nfs/dbraw/zinc/28/74/07/815287407.db2.gz MIDHRTBEFWSQRK-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172127964 815287410 /nfs/dbraw/zinc/28/74/10/815287410.db2.gz MIDHRTBEFWSQRK-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP C[N@H+]([C@@H]1CCCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172132040 815290206 /nfs/dbraw/zinc/29/02/06/815290206.db2.gz JOMYKVRBRKKPSN-BARDWOONSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+]([C@@H]1CCCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172132040 815290212 /nfs/dbraw/zinc/29/02/12/815290212.db2.gz JOMYKVRBRKKPSN-BARDWOONSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]([C@@H]1CCCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172132040 815290215 /nfs/dbraw/zinc/29/02/15/815290215.db2.gz JOMYKVRBRKKPSN-BARDWOONSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]([C@@H]1CCCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172132040 815290222 /nfs/dbraw/zinc/29/02/22/815290222.db2.gz JOMYKVRBRKKPSN-BARDWOONSA-N 2 1 252.402 2.113 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(CC)CC ZINC001128785726 809460253 /nfs/dbraw/zinc/46/02/53/809460253.db2.gz QWCAQQCVOGPRHT-OAHLLOKOSA-N 2 1 283.460 2.003 20 0 CEADMP [NH3+]CCC[N@@H+](C1CCCCC1)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172144679 815292601 /nfs/dbraw/zinc/29/26/01/815292601.db2.gz APWADDYUVBAAND-JKSUJKDBSA-N 2 1 293.455 2.123 20 0 CEADMP [NH3+]CCC[N@@H+](C1CCCCC1)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172144676 815292729 /nfs/dbraw/zinc/29/27/29/815292729.db2.gz APWADDYUVBAAND-CVEARBPZSA-N 2 1 293.455 2.123 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCC[NH+]1CCCCCC1)C2 ZINC001172103681 815294020 /nfs/dbraw/zinc/29/40/20/815294020.db2.gz WTJXDQWORVUCNP-BJWYYQGGSA-N 2 1 279.472 2.467 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)cn1)C2 ZINC001172104218 815294297 /nfs/dbraw/zinc/29/42/97/815294297.db2.gz ARIYMLQHUXAPGJ-QDMKHBRRSA-N 2 1 263.360 2.326 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)cn1)C2 ZINC001172104218 815294300 /nfs/dbraw/zinc/29/43/00/815294300.db2.gz ARIYMLQHUXAPGJ-QDMKHBRRSA-N 2 1 263.360 2.326 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3nonc3c1)C2 ZINC001172104099 815294858 /nfs/dbraw/zinc/29/48/58/815294858.db2.gz ZTBQUVDVNCLDAV-ZSOGYDGISA-N 2 1 286.379 2.328 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC13CCOCC3)C2 ZINC001172107482 815295878 /nfs/dbraw/zinc/29/58/78/815295878.db2.gz YGCLPRJRHCXWAM-LXTVHRRPSA-N 2 1 264.413 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC13CCOCC3)C2 ZINC001172107482 815295884 /nfs/dbraw/zinc/29/58/84/815295884.db2.gz YGCLPRJRHCXWAM-LXTVHRRPSA-N 2 1 264.413 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCC[NH+]1CCCCC1)C2 ZINC001172105969 815296075 /nfs/dbraw/zinc/29/60/75/815296075.db2.gz LTQWVUZHZCVDKU-OSYLJGHBSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCc1cccs1)C2 ZINC000702476976 809559511 /nfs/dbraw/zinc/55/95/11/809559511.db2.gz OGAJFHREYDUGHQ-OKILXGFUSA-N 2 1 250.411 2.222 20 0 CEADMP COc1cnccc1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172110122 815301116 /nfs/dbraw/zinc/30/11/16/815301116.db2.gz KUSHGZVPFDNQMR-PHZGNYQRSA-N 2 1 289.423 2.238 20 0 CEADMP COc1cnccc1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172110121 815301191 /nfs/dbraw/zinc/30/11/91/815301191.db2.gz KUSHGZVPFDNQMR-MUJYYYPQSA-N 2 1 289.423 2.238 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CC[NH+](CC3CC3)C1)C2 ZINC001172112978 815301933 /nfs/dbraw/zinc/30/19/33/815301933.db2.gz DEUJXTYKNDLYOZ-LUKYLMHMSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC001172112978 815301939 /nfs/dbraw/zinc/30/19/39/815301939.db2.gz DEUJXTYKNDLYOZ-LUKYLMHMSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CC[N@@H+](CC3CC3)C1)C2 ZINC001172112978 815301945 /nfs/dbraw/zinc/30/19/45/815301945.db2.gz DEUJXTYKNDLYOZ-LUKYLMHMSA-N 2 1 277.456 2.076 20 0 CEADMP CCC[N@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034430996 809607592 /nfs/dbraw/zinc/60/75/92/809607592.db2.gz IOACHDKNCOURCZ-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)N([C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)(C)C[NH3+] ZINC001172113208 815303863 /nfs/dbraw/zinc/30/38/63/815303863.db2.gz HMCOBJGWRWQPNN-FICVDOATSA-N 2 1 267.461 2.449 20 0 CEADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@]1(C)O ZINC001172117471 815305744 /nfs/dbraw/zinc/30/57/44/815305744.db2.gz HFLUGSSUHMUWMP-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@]1(C)O ZINC001172117471 815305748 /nfs/dbraw/zinc/30/57/48/815305748.db2.gz HFLUGSSUHMUWMP-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@]1(C)O ZINC001172117471 815305753 /nfs/dbraw/zinc/30/57/53/815305753.db2.gz HFLUGSSUHMUWMP-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@]1(C)O ZINC001172117471 815305755 /nfs/dbraw/zinc/30/57/55/815305755.db2.gz HFLUGSSUHMUWMP-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@]1(C)O ZINC001172116073 815306244 /nfs/dbraw/zinc/30/62/44/815306244.db2.gz AUPMIVOWXIGGPQ-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@]1(C)O ZINC001172116073 815306250 /nfs/dbraw/zinc/30/62/50/815306250.db2.gz AUPMIVOWXIGGPQ-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[C@]1(C)O ZINC001172116073 815306255 /nfs/dbraw/zinc/30/62/55/815306255.db2.gz AUPMIVOWXIGGPQ-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[C@]1(C)O ZINC001172116073 815306261 /nfs/dbraw/zinc/30/62/61/815306261.db2.gz AUPMIVOWXIGGPQ-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCOc1cccc(Cl)c1)C2 ZINC000703538350 809660988 /nfs/dbraw/zinc/66/09/88/809660988.db2.gz IRWXRNKYYCBRQW-SWLSCSKDSA-N 2 1 280.799 2.260 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCOc1cccc(Cl)c1)C2 ZINC000703538350 809660992 /nfs/dbraw/zinc/66/09/92/809660992.db2.gz IRWXRNKYYCBRQW-SWLSCSKDSA-N 2 1 280.799 2.260 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@@](C)(O)C1)C2 ZINC001172117553 815307614 /nfs/dbraw/zinc/30/76/14/815307614.db2.gz HQKSLUJLKQVKJR-QKPAOTATSA-N 2 1 266.429 2.239 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@@](C)(O)C1)C2 ZINC001172117553 815307621 /nfs/dbraw/zinc/30/76/21/815307621.db2.gz HQKSLUJLKQVKJR-QKPAOTATSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC[C@@](C)(O)C1)C2 ZINC001172117553 815307627 /nfs/dbraw/zinc/30/76/27/815307627.db2.gz HQKSLUJLKQVKJR-QKPAOTATSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@@](C)(O)C1)C2 ZINC001172117553 815307634 /nfs/dbraw/zinc/30/76/34/815307634.db2.gz HQKSLUJLKQVKJR-QKPAOTATSA-N 2 1 266.429 2.239 20 0 CEADMP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000703574424 809666804 /nfs/dbraw/zinc/66/68/04/809666804.db2.gz XYRPQKDZMXZOLC-DOTOQJQBSA-N 2 1 274.408 2.224 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000703574424 809666809 /nfs/dbraw/zinc/66/68/09/809666809.db2.gz XYRPQKDZMXZOLC-DOTOQJQBSA-N 2 1 274.408 2.224 20 0 CEADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)CC1 ZINC001172120271 815307917 /nfs/dbraw/zinc/30/79/17/815307917.db2.gz CGYPJFBLIUIMCF-BJWYYQGGSA-N 3 1 291.483 2.419 20 0 CEADMP C[NH+]1CCC2(CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)CC1 ZINC001172120271 815307924 /nfs/dbraw/zinc/30/79/24/815307924.db2.gz CGYPJFBLIUIMCF-BJWYYQGGSA-N 3 1 291.483 2.419 20 0 CEADMP C[NH+]1CCC2(CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)CC1 ZINC001172120271 815307931 /nfs/dbraw/zinc/30/79/31/815307931.db2.gz CGYPJFBLIUIMCF-BJWYYQGGSA-N 3 1 291.483 2.419 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC3(C1)CC[NH+](C)CC3)C2 ZINC001172120271 815307938 /nfs/dbraw/zinc/30/79/38/815307938.db2.gz CGYPJFBLIUIMCF-BJWYYQGGSA-N 2 1 291.483 2.419 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC3(C1)CC[NH+](C)CC3)C2 ZINC001172120271 815307939 /nfs/dbraw/zinc/30/79/39/815307939.db2.gz CGYPJFBLIUIMCF-BJWYYQGGSA-N 2 1 291.483 2.419 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCN1CCC[C@H](F)C1)C2 ZINC001172119297 815308381 /nfs/dbraw/zinc/30/83/81/815308381.db2.gz YMSVVRPCWHMBGB-YHUYYLMFSA-N 2 1 283.435 2.025 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@]3(CCOC3)C1)C2 ZINC001172122238 815312943 /nfs/dbraw/zinc/31/29/43/815312943.db2.gz YCGWPVMTLKOUFC-JJXSEGSLSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(CCOC3)C1)C2 ZINC001172122238 815312950 /nfs/dbraw/zinc/31/29/50/815312950.db2.gz YCGWPVMTLKOUFC-JJXSEGSLSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@]3(CCOC3)C1)C2 ZINC001172122238 815312957 /nfs/dbraw/zinc/31/29/57/815312957.db2.gz YCGWPVMTLKOUFC-JJXSEGSLSA-N 2 1 264.413 2.114 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@](C)(CO)CC1)C2 ZINC001172121428 815313480 /nfs/dbraw/zinc/31/34/80/815313480.db2.gz QITLWAAIYLQTME-HZMVEIRTSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@](C)(CO)CC1)C2 ZINC001172121428 815313486 /nfs/dbraw/zinc/31/34/86/815313486.db2.gz QITLWAAIYLQTME-HZMVEIRTSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@](C)(CO)CC1)C2 ZINC001172121428 815313492 /nfs/dbraw/zinc/31/34/92/815313492.db2.gz QITLWAAIYLQTME-HZMVEIRTSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@](C)(CO)CC1)C2 ZINC001172121428 815313499 /nfs/dbraw/zinc/31/34/99/815313499.db2.gz QITLWAAIYLQTME-HZMVEIRTSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCc3cccnc3C1)C2 ZINC001172123432 815314621 /nfs/dbraw/zinc/31/46/21/815314621.db2.gz CVMPUYSVGRRWNW-ZSHCYNCHSA-N 2 1 271.408 2.455 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3cccnc3C1)C2 ZINC001172123432 815314634 /nfs/dbraw/zinc/31/46/34/815314634.db2.gz CVMPUYSVGRRWNW-ZSHCYNCHSA-N 2 1 271.408 2.455 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3cccnc3C1)C2 ZINC001172123432 815314639 /nfs/dbraw/zinc/31/46/39/815314639.db2.gz CVMPUYSVGRRWNW-ZSHCYNCHSA-N 2 1 271.408 2.455 20 0 CEADMP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC001172123446 815314692 /nfs/dbraw/zinc/31/46/92/815314692.db2.gz GEBFLWVVUPYJQO-BTFPBAQTSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H](C)[N@@H+]1C ZINC001172124012 815315383 /nfs/dbraw/zinc/31/53/83/815315383.db2.gz IPOWWUJAPFYMNT-HUSMAVQQSA-N 2 1 265.445 2.026 20 0 CEADMP C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)[NH+]1C ZINC001172124012 815315388 /nfs/dbraw/zinc/31/53/88/815315388.db2.gz IPOWWUJAPFYMNT-HUSMAVQQSA-N 2 1 265.445 2.026 20 0 CEADMP C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH+]1C ZINC001172124012 815315394 /nfs/dbraw/zinc/31/53/94/815315394.db2.gz IPOWWUJAPFYMNT-HUSMAVQQSA-N 2 1 265.445 2.026 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000708889573 809937893 /nfs/dbraw/zinc/93/78/93/809937893.db2.gz GZXOBECJFMATEC-QKPAOTATSA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)(C)[C@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000708928866 809939164 /nfs/dbraw/zinc/93/91/64/809939164.db2.gz YFEBABXDTFPQBE-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(C)[C@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000708928866 809939168 /nfs/dbraw/zinc/93/91/68/809939168.db2.gz YFEBABXDTFPQBE-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1COC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708536630 809945529 /nfs/dbraw/zinc/94/55/29/809945529.db2.gz FBAHICOFDYYSMX-XYVMCAHJSA-N 2 1 288.435 2.379 20 0 CEADMP CC1(C)C[C@H](C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C(C)(C)O1 ZINC000709701731 809952777 /nfs/dbraw/zinc/95/27/77/809952777.db2.gz GYVOTIISYAIIQL-BFHYXJOUSA-N 2 1 266.429 2.264 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C(C)(C)O1 ZINC000709701731 809952781 /nfs/dbraw/zinc/95/27/81/809952781.db2.gz GYVOTIISYAIIQL-BFHYXJOUSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C[C@H]1C[NH3+] ZINC000709704043 809954543 /nfs/dbraw/zinc/95/45/43/809954543.db2.gz XACAAOAPZRHVNY-MCIONIFRSA-N 2 1 268.445 2.497 20 0 CEADMP COC1(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CCCC1 ZINC000709857422 809973049 /nfs/dbraw/zinc/97/30/49/809973049.db2.gz BIHZVXHRFBIORF-GHMZBOCLSA-N 2 1 280.334 2.015 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(S(C)(=O)=O)cc1 ZINC000710705468 809990348 /nfs/dbraw/zinc/99/03/48/809990348.db2.gz KTEJZBDAMXPTHP-UHFFFAOYSA-N 2 1 298.452 2.041 20 0 CEADMP C[C@H]1COC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000710864366 809997164 /nfs/dbraw/zinc/99/71/64/809997164.db2.gz KGQFAYFSOONXBT-GOEBONIOSA-N 2 1 262.397 2.133 20 0 CEADMP CCCC[N@H+](CC)CC[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218111 815336287 /nfs/dbraw/zinc/33/62/87/815336287.db2.gz PQXYYPFHVXZBSR-GOOCMWNKSA-N 2 1 254.418 2.408 20 0 CEADMP CCCC[N@@H+](CC)CC[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218111 815336294 /nfs/dbraw/zinc/33/62/94/815336294.db2.gz PQXYYPFHVXZBSR-GOOCMWNKSA-N 2 1 254.418 2.408 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC2(CCC2)O1 ZINC000711406550 810068190 /nfs/dbraw/zinc/06/81/90/810068190.db2.gz HYDHYJKAHMBQKO-RBSFLKMASA-N 2 1 264.413 2.305 20 0 CEADMP Cc1cc[nH+]c(C)c1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163325987 810069158 /nfs/dbraw/zinc/06/91/58/810069158.db2.gz DMCPOVCAWAPYPH-ZFWWWQNUSA-N 2 1 261.369 2.021 20 0 CEADMP C(C[NH2+]C1CC1)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000923371908 810089374 /nfs/dbraw/zinc/08/93/74/810089374.db2.gz BARVLBUEWYKEBA-RHSMWYFYSA-N 2 1 277.456 2.077 20 0 CEADMP C[NH+](C)CC(C)(C)CNc1cc[nH+]c(N2CCCC2)n1 ZINC001168764731 810227611 /nfs/dbraw/zinc/22/76/11/810227611.db2.gz ZCRUJUGHKLAQLP-UHFFFAOYSA-N 2 1 277.416 2.077 20 0 CEADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001015052068 810257727 /nfs/dbraw/zinc/25/77/27/810257727.db2.gz HSTPXJBGWXVFAH-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1OC ZINC001206163798 815357938 /nfs/dbraw/zinc/35/79/38/815357938.db2.gz GANCOBIHFZPPRS-UONOGXRCSA-N 2 1 296.386 2.355 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1OC ZINC001206163798 815357944 /nfs/dbraw/zinc/35/79/44/815357944.db2.gz GANCOBIHFZPPRS-UONOGXRCSA-N 2 1 296.386 2.355 20 0 CEADMP COCCC[NH+]1CCC([N@H+](C)CCc2ccccn2)CC1 ZINC001172249600 815358003 /nfs/dbraw/zinc/35/80/03/815358003.db2.gz LBPFLMAMKJYYOK-UHFFFAOYSA-N 2 1 291.439 2.057 20 0 CEADMP COCCC[NH+]1CCC([N@@H+](C)CCc2ccccn2)CC1 ZINC001172249600 815358009 /nfs/dbraw/zinc/35/80/09/815358009.db2.gz LBPFLMAMKJYYOK-UHFFFAOYSA-N 2 1 291.439 2.057 20 0 CEADMP COCCC[NH+]1CCC([N@H+](C)C2CC(F)(F)C2)CC1 ZINC001172251077 815358822 /nfs/dbraw/zinc/35/88/22/815358822.db2.gz ZIZCLHUEGZOTFK-UHFFFAOYSA-N 2 1 276.371 2.217 20 0 CEADMP COCCC[NH+]1CCC([N@@H+](C)C2CC(F)(F)C2)CC1 ZINC001172251077 815358828 /nfs/dbraw/zinc/35/88/28/815358828.db2.gz ZIZCLHUEGZOTFK-UHFFFAOYSA-N 2 1 276.371 2.217 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCC(F)(F)[C@@H](C)C2)CC1 ZINC001172252804 815359653 /nfs/dbraw/zinc/35/96/53/815359653.db2.gz VKYDRJVWVHRUEX-ZDUSSCGKSA-N 2 1 290.398 2.464 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCC(F)(F)[C@@H](C)C2)CC1 ZINC001172252804 815359660 /nfs/dbraw/zinc/35/96/60/815359660.db2.gz VKYDRJVWVHRUEX-ZDUSSCGKSA-N 2 1 290.398 2.464 20 0 CEADMP CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)C(C)C)C1)[NH+](C)C ZINC001017145687 810495902 /nfs/dbraw/zinc/49/59/02/810495902.db2.gz KXWGJGONRHTJPW-CVEARBPZSA-N 2 1 297.487 2.151 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC001206556872 810532766 /nfs/dbraw/zinc/53/27/66/810532766.db2.gz YSHBSKNKYOZMQM-QGZVFWFLSA-N 2 1 290.407 2.409 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccc(F)cc3)CC[C@@H]21 ZINC001119975345 810570699 /nfs/dbraw/zinc/57/06/99/810570699.db2.gz UKGQMWUMUIGSSG-HOCLYGCPSA-N 2 1 262.372 2.394 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccc(F)cc3)CC[C@@H]21 ZINC001119975345 810570704 /nfs/dbraw/zinc/57/07/04/810570704.db2.gz UKGQMWUMUIGSSG-HOCLYGCPSA-N 2 1 262.372 2.394 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccc(F)cc3)CC[C@@H]21 ZINC001119975345 810570711 /nfs/dbraw/zinc/57/07/11/810570711.db2.gz UKGQMWUMUIGSSG-HOCLYGCPSA-N 2 1 262.372 2.394 20 0 CEADMP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001085204887 810691887 /nfs/dbraw/zinc/69/18/87/810691887.db2.gz PMBZLIJVHVLQLR-ZJIFWQFVSA-N 2 1 295.471 2.144 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000691408953 810718698 /nfs/dbraw/zinc/71/86/98/810718698.db2.gz YFNSYHDJCPOOGC-GVDBMIGSSA-N 2 1 280.456 2.344 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C(C)C ZINC001085432207 810748302 /nfs/dbraw/zinc/74/83/02/810748302.db2.gz NOROODPOFKZPDP-BZUAXINKSA-N 2 1 295.471 2.286 20 0 CEADMP Cc1c[nH+]c(N[C@@H]2CCC[C@H]([NH3+])C2)nc1NC(C)C ZINC001154977552 810875159 /nfs/dbraw/zinc/87/51/59/810875159.db2.gz OIHDAQOICZYPHN-NWDGAFQWSA-N 2 1 263.389 2.287 20 0 CEADMP CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085688044 810875976 /nfs/dbraw/zinc/87/59/76/810875976.db2.gz AGOHKWHCJFIRDU-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085688044 810875983 /nfs/dbraw/zinc/87/59/83/810875983.db2.gz AGOHKWHCJFIRDU-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085688044 810875990 /nfs/dbraw/zinc/87/59/90/810875990.db2.gz AGOHKWHCJFIRDU-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086217032 811064710 /nfs/dbraw/zinc/06/47/10/811064710.db2.gz KXPYCPFMZZMZKQ-OWCLPIDISA-N 2 1 295.471 2.142 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CCOCC)C[C@@H]2C1 ZINC001172427554 815419428 /nfs/dbraw/zinc/41/94/28/815419428.db2.gz QBSSEEHTYAOCNF-KFWWJZLASA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CCOCC)C[C@@H]2C1 ZINC001172427554 815419431 /nfs/dbraw/zinc/41/94/31/815419431.db2.gz QBSSEEHTYAOCNF-KFWWJZLASA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CCOCC)C[C@@H]2C1 ZINC001172427554 815419436 /nfs/dbraw/zinc/41/94/36/815419436.db2.gz QBSSEEHTYAOCNF-KFWWJZLASA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086414768 811135155 /nfs/dbraw/zinc/13/51/55/811135155.db2.gz IICZENREZIZMHR-BZUAXINKSA-N 2 1 295.471 2.001 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205994099 811260867 /nfs/dbraw/zinc/26/08/67/811260867.db2.gz JFIXXHAPPKLOQT-JQWIXIFHSA-N 2 1 253.415 2.258 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC001169077894 811377701 /nfs/dbraw/zinc/37/77/01/811377701.db2.gz BGNNGKPRSIBTHH-CNDDSTCGSA-N 2 1 251.399 2.166 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC001169077894 811377708 /nfs/dbraw/zinc/37/77/08/811377708.db2.gz BGNNGKPRSIBTHH-CNDDSTCGSA-N 2 1 251.399 2.166 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)nc1)C2 ZINC001169081792 811380659 /nfs/dbraw/zinc/38/06/59/811380659.db2.gz WTCKCYMHBREBDZ-XYYAHUGASA-N 2 1 265.788 2.450 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Cl)nc1)C2 ZINC001169081792 811380669 /nfs/dbraw/zinc/38/06/69/811380669.db2.gz WTCKCYMHBREBDZ-XYYAHUGASA-N 2 1 265.788 2.450 20 0 CEADMP C[NH+](C)Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169089566 811381163 /nfs/dbraw/zinc/38/11/63/811381163.db2.gz CZJABDFJYHSOKO-BCDXTJNWSA-N 3 1 287.451 2.463 20 0 CEADMP C[NH+](C)Cc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169089566 811381173 /nfs/dbraw/zinc/38/11/73/811381173.db2.gz CZJABDFJYHSOKO-BCDXTJNWSA-N 2 1 287.451 2.463 20 0 CEADMP C[NH+](C)Cc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169089566 811381183 /nfs/dbraw/zinc/38/11/83/811381183.db2.gz CZJABDFJYHSOKO-BCDXTJNWSA-N 2 1 287.451 2.463 20 0 CEADMP COC(=O)C1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169090874 811384178 /nfs/dbraw/zinc/38/41/78/811384178.db2.gz MQNXYRCWFOAYHA-VXSNREPFSA-N 2 1 294.439 2.181 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCC[NH+]1CCCC1)C2 ZINC001169092401 811385079 /nfs/dbraw/zinc/38/50/79/811385079.db2.gz BPPNURUNWSKOBZ-PHZGNYQRSA-N 3 1 265.445 2.077 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCC[NH+]1CCCC1)C2 ZINC001169092401 811385084 /nfs/dbraw/zinc/38/50/84/811385084.db2.gz BPPNURUNWSKOBZ-PHZGNYQRSA-N 2 1 265.445 2.077 20 0 CEADMP COc1ccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C[NH3+] ZINC001169118821 811386008 /nfs/dbraw/zinc/38/60/08/811386008.db2.gz OGYOXMGFMQWWDQ-QDMKHBRRSA-N 2 1 275.396 2.191 20 0 CEADMP COC[C@H]1CCCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124456 811391654 /nfs/dbraw/zinc/39/16/54/811391654.db2.gz CXCGTPIQKIDZNV-BARDWOONSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124456 811391663 /nfs/dbraw/zinc/39/16/63/811391663.db2.gz CXCGTPIQKIDZNV-BARDWOONSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124456 811391676 /nfs/dbraw/zinc/39/16/76/811391676.db2.gz CXCGTPIQKIDZNV-BARDWOONSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCOC3)CC1)C2 ZINC001169126710 811394864 /nfs/dbraw/zinc/39/48/64/811394864.db2.gz WXDJLXPZNRRIIE-QDMKHBRRSA-N 2 1 264.413 2.114 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCOC3)CC1)C2 ZINC001169126710 811394869 /nfs/dbraw/zinc/39/48/69/811394869.db2.gz WXDJLXPZNRRIIE-QDMKHBRRSA-N 2 1 264.413 2.114 20 0 CEADMP CCOC(=O)C[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169127135 811394963 /nfs/dbraw/zinc/39/49/63/811394963.db2.gz ZXBGSJIULYYLEI-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)C[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169127135 811394966 /nfs/dbraw/zinc/39/49/66/811394966.db2.gz ZXBGSJIULYYLEI-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)C[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169127135 811394977 /nfs/dbraw/zinc/39/49/77/811394977.db2.gz ZXBGSJIULYYLEI-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)CC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169131764 811399012 /nfs/dbraw/zinc/39/90/12/811399012.db2.gz YXTCDOKXVAXIAP-MUJYYYPQSA-N 2 1 294.439 2.277 20 0 CEADMP CN(C)c1cc[nH+]c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001169135834 811400229 /nfs/dbraw/zinc/40/02/29/811400229.db2.gz DDRGAXIQSTZXNL-MLGOLLRUSA-N 2 1 291.443 2.498 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ncccc31)C2 ZINC001169108966 811404552 /nfs/dbraw/zinc/40/45/52/811404552.db2.gz XFKGXPZHJVGSAB-ZWUHOBOKSA-N 2 1 257.381 2.284 20 0 CEADMP CCCCC[NH+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169140176 811405362 /nfs/dbraw/zinc/40/53/62/811405362.db2.gz IJFAIQFUEZTXHX-FVQHAEBGSA-N 2 1 279.472 2.419 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@](C)(CO)c1ccccc1)C2 ZINC001169114906 811406175 /nfs/dbraw/zinc/40/61/75/811406175.db2.gz ZMUNIUCAPPFHGK-YYIAUSFCSA-N 2 1 274.408 2.109 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@](C)(CO)c1ccccc1)C2 ZINC001169114906 811406177 /nfs/dbraw/zinc/40/61/77/811406177.db2.gz ZMUNIUCAPPFHGK-YYIAUSFCSA-N 2 1 274.408 2.109 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C[NH3+])cc3ccncc31)C2 ZINC001169114016 811406328 /nfs/dbraw/zinc/40/63/28/811406328.db2.gz VRIVBAYLQZMRCM-WDNDVIMCSA-N 2 1 270.380 2.293 20 0 CEADMP Cc1ccnn1C1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169155151 811414230 /nfs/dbraw/zinc/41/42/30/811414230.db2.gz YOTWOVWFJVFYPS-FVQHAEBGSA-N 2 1 288.439 2.454 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169152296 811414628 /nfs/dbraw/zinc/41/46/28/811414628.db2.gz BUOSGBAAASYGBI-FZKCQIBNSA-N 2 1 265.445 2.026 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169152296 811414631 /nfs/dbraw/zinc/41/46/31/811414631.db2.gz BUOSGBAAASYGBI-FZKCQIBNSA-N 2 1 265.445 2.026 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169152296 811414634 /nfs/dbraw/zinc/41/46/34/811414634.db2.gz BUOSGBAAASYGBI-FZKCQIBNSA-N 2 1 265.445 2.026 20 0 CEADMP Cc1ncccc1CN(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155020 811414950 /nfs/dbraw/zinc/41/49/50/811414950.db2.gz WCHLQHUSWRPXCZ-MUJYYYPQSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1ncccc1C[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155020 811414956 /nfs/dbraw/zinc/41/49/56/811414956.db2.gz WCHLQHUSWRPXCZ-MUJYYYPQSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1ncccc1C[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155020 811414963 /nfs/dbraw/zinc/41/49/63/811414963.db2.gz WCHLQHUSWRPXCZ-MUJYYYPQSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1ncccc1C[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155020 811414969 /nfs/dbraw/zinc/41/49/69/811414969.db2.gz WCHLQHUSWRPXCZ-MUJYYYPQSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1ncccc1C[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155020 811414981 /nfs/dbraw/zinc/41/49/81/811414981.db2.gz WCHLQHUSWRPXCZ-MUJYYYPQSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1ccnn1C1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169155150 811415526 /nfs/dbraw/zinc/41/55/26/811415526.db2.gz YOTWOVWFJVFYPS-BJWYYQGGSA-N 2 1 288.439 2.454 20 0 CEADMP CC1(C)C[C@H](Nc2cc[nH+]c(CN)c2)C[C@](C)(C[NH3+])C1 ZINC001169151113 811415624 /nfs/dbraw/zinc/41/56/24/811415624.db2.gz FVXWOQCPWCZKTN-HOCLYGCPSA-N 2 1 276.428 2.496 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@H]([NH+]3CCCC3)[C@@H](F)C1)C2 ZINC001169161162 811421747 /nfs/dbraw/zinc/42/17/47/811421747.db2.gz OYUXTOWGXMTTKI-QEOTZNIISA-N 2 1 295.446 2.120 20 0 CEADMP CC[NH+]1CCC(N(C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169140635 811422831 /nfs/dbraw/zinc/42/28/31/811422831.db2.gz KUONYDLVWFDFOQ-MUJYYYPQSA-N 3 1 265.445 2.028 20 0 CEADMP CC[NH+]1CCC(N2C(C)(C)CC([NH3+])CC2(C)C)CC1 ZINC001169224166 811437987 /nfs/dbraw/zinc/43/79/87/811437987.db2.gz AODHBYHINZOSEH-UHFFFAOYSA-N 2 1 267.461 2.451 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2ccc(C(C)=O)cc2)CC1 ZINC001169229607 811442478 /nfs/dbraw/zinc/44/24/78/811442478.db2.gz DPHKTBPAIIJUIS-UHFFFAOYSA-N 2 1 260.381 2.463 20 0 CEADMP C[C@@H]([NH3+])c1ccn(-c2ccc([C@H]3CCCC[N@H+]3C)cn2)n1 ZINC001169231466 811445987 /nfs/dbraw/zinc/44/59/87/811445987.db2.gz KABXTEIJGJCGJW-IUODEOHRSA-N 2 1 285.395 2.444 20 0 CEADMP CC[NH+]1CCC(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169233850 811448542 /nfs/dbraw/zinc/44/85/42/811448542.db2.gz WPAYCSOCASGIQU-PHZGNYQRSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)COCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001172466251 815448946 /nfs/dbraw/zinc/44/89/46/815448946.db2.gz HLHKLZJZNLYZSI-ILXRZTDVSA-N 2 1 256.434 2.367 20 0 CEADMP CC(C)COCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001172466251 815448948 /nfs/dbraw/zinc/44/89/48/815448948.db2.gz HLHKLZJZNLYZSI-ILXRZTDVSA-N 2 1 256.434 2.367 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)nc2)CCC[C@@H]1C[NH3+] ZINC001206014969 811607356 /nfs/dbraw/zinc/60/73/56/811607356.db2.gz YSUXMZFUIKWDMR-DGCLKSJQSA-N 2 1 299.365 2.490 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(NC(C)(C)CC[NH+](C)C)n1 ZINC001169715748 811639587 /nfs/dbraw/zinc/63/95/87/811639587.db2.gz GHLJMSKHLOPZPS-UHFFFAOYSA-N 2 1 288.399 2.113 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC001172591568 815465716 /nfs/dbraw/zinc/46/57/16/815465716.db2.gz KAEQLMLOIGEHHW-RBSFLKMASA-N 2 1 282.428 2.040 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046198052 811706088 /nfs/dbraw/zinc/70/60/88/811706088.db2.gz SOEMZIRBXGJLOA-RDJZCZTQSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046198052 811706090 /nfs/dbraw/zinc/70/60/90/811706090.db2.gz SOEMZIRBXGJLOA-RDJZCZTQSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046198052 811706094 /nfs/dbraw/zinc/70/60/94/811706094.db2.gz SOEMZIRBXGJLOA-RDJZCZTQSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCCC2(C1)OCCO2 ZINC001169947458 811722496 /nfs/dbraw/zinc/72/24/96/811722496.db2.gz BZHXKQQIJTYMNL-HNNXBMFYSA-N 2 1 282.428 2.090 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC001172635367 815480658 /nfs/dbraw/zinc/48/06/58/815480658.db2.gz XDIMIBOKIZQWFP-LSDHHAIUSA-N 2 1 294.439 2.136 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206027289 811859889 /nfs/dbraw/zinc/85/98/89/811859889.db2.gz VSABBSWTGMHVKY-STQMWFEESA-N 2 1 278.396 2.208 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccn3nccc3c2)CCC[C@H]1C[NH3+] ZINC001206027960 811886241 /nfs/dbraw/zinc/88/62/41/811886241.db2.gz XKSUZAAIHIRFFB-ZFWWWQNUSA-N 2 1 272.396 2.141 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)C1 ZINC001172624948 815486485 /nfs/dbraw/zinc/48/64/85/815486485.db2.gz UCPGHZSBYGZISI-KGLIPLIRSA-N 2 1 291.395 2.254 20 0 CEADMP CCC[NH+]1C[C@H]2CN(Cc3[nH]c(CC)[nH+]c3C)C[C@@H]2C1 ZINC001203251047 815486667 /nfs/dbraw/zinc/48/66/67/815486667.db2.gz KZWUNKHRPPWAJI-KBPBESRZSA-N 2 1 276.428 2.054 20 0 CEADMP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672637 811924419 /nfs/dbraw/zinc/92/44/19/811924419.db2.gz NTMFJRHKMQMCSR-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CN(C)c1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206173845 815487640 /nfs/dbraw/zinc/48/76/40/815487640.db2.gz KHIHAYRPZSTFPQ-LSDHHAIUSA-N 2 1 265.376 2.014 20 0 CEADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)OC)CC2)C1 ZINC001172733784 815496517 /nfs/dbraw/zinc/49/65/17/815496517.db2.gz DQZGNXVOHHFDMN-AWEZNQCLSA-N 2 1 297.443 2.070 20 0 CEADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)OC)CC2)C1 ZINC001172733784 815496520 /nfs/dbraw/zinc/49/65/20/815496520.db2.gz DQZGNXVOHHFDMN-AWEZNQCLSA-N 2 1 297.443 2.070 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(C)C)C1 ZINC001086559370 812070844 /nfs/dbraw/zinc/07/08/44/812070844.db2.gz UXDYCXJRNUJFOU-BZUAXINKSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001172746523 815501206 /nfs/dbraw/zinc/50/12/06/815501206.db2.gz PJQXRVVQRDEKMO-ZIAGYGMSSA-N 2 1 270.417 2.038 20 0 CEADMP CC(C)OC(=O)CC[C@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001172751788 815503055 /nfs/dbraw/zinc/50/30/55/815503055.db2.gz YQHKPQVWXFWZKB-LBPRGKRZSA-N 2 1 267.373 2.067 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C1 ZINC001170118990 812166855 /nfs/dbraw/zinc/16/68/55/812166855.db2.gz VTBYMKMRBBBKDL-FVQBIDKESA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C1 ZINC001170118990 812166862 /nfs/dbraw/zinc/16/68/62/812166862.db2.gz VTBYMKMRBBBKDL-FVQBIDKESA-N 2 1 266.429 2.266 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001172767979 815513163 /nfs/dbraw/zinc/51/31/63/815513163.db2.gz NFYSJVLLIYNWAN-RRFJBIMHSA-N 2 1 282.428 2.040 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](CCC[NH3+])C(C)C)CC1 ZINC001172768007 815513540 /nfs/dbraw/zinc/51/35/40/815513540.db2.gz NIQQMQWOUHMWPF-UONOGXRCSA-N 2 1 270.417 2.168 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000396681739 812256242 /nfs/dbraw/zinc/25/62/42/812256242.db2.gz VVHOFUUVAVHSSA-HZMBPMFUSA-N 2 1 254.324 2.237 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC001172770878 815515480 /nfs/dbraw/zinc/51/54/80/815515480.db2.gz HGBBOLQTVMHSLN-FGZQJIAISA-N 2 1 282.428 2.310 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)CCO1 ZINC001170195887 812342897 /nfs/dbraw/zinc/34/28/97/812342897.db2.gz LIGQMHWWNNFVGQ-BBWFWOEESA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)CCO1 ZINC001170195887 812342905 /nfs/dbraw/zinc/34/29/05/812342905.db2.gz LIGQMHWWNNFVGQ-BBWFWOEESA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@H]1C[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)CCO1 ZINC001170234912 812349970 /nfs/dbraw/zinc/34/99/70/812349970.db2.gz JOPGGYFUKSOAJL-KBPBESRZSA-N 2 1 263.385 2.480 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001170222454 812356386 /nfs/dbraw/zinc/35/63/86/812356386.db2.gz JWMSGPSGMPHFDN-HNNXBMFYSA-N 2 1 291.439 2.185 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+]CCOc2ccc(F)cc2)CC1 ZINC001254500615 812413941 /nfs/dbraw/zinc/41/39/41/812413941.db2.gz WNZUWDPJDZNIGJ-CQSZACIVSA-N 2 1 266.360 2.278 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CC1CCCC1 ZINC001129422915 812492654 /nfs/dbraw/zinc/49/26/54/812492654.db2.gz MZKFTSBHSYFRIV-MRXNPFEDSA-N 2 1 295.471 2.145 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129840030 812515541 /nfs/dbraw/zinc/51/55/41/812515541.db2.gz DPORPRYZSZGATD-OAHLLOKOSA-N 2 1 283.460 2.003 20 0 CEADMP CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](C(C)C)C2)C1)[NH+](C)C ZINC001054152176 812545257 /nfs/dbraw/zinc/54/52/57/812545257.db2.gz BCIYOVXXEXBVGZ-WBVHZDCISA-N 2 1 295.471 2.050 20 0 CEADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCC1CCCCC1 ZINC001130297972 812554613 /nfs/dbraw/zinc/55/46/13/812554613.db2.gz URJSMESFJMVJSO-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP c1cc(C2=C[NH2+]CCC2)ccc1CC[NH+]1CCOCC1 ZINC001243952319 812601294 /nfs/dbraw/zinc/60/12/94/812601294.db2.gz NJHBCMUUZKRESZ-UHFFFAOYSA-N 2 1 272.392 2.286 20 0 CEADMP Cc1c[nH+]c(N[C@H](C)[C@@H]2C[NH2+]CCO2)c2ccccc12 ZINC001170565590 812683943 /nfs/dbraw/zinc/68/39/43/812683943.db2.gz VUOGUCQLMNTXGD-DOMZBBRYSA-N 2 1 271.364 2.332 20 0 CEADMP CCCCCC[C@@H](CC)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001170586431 812741637 /nfs/dbraw/zinc/74/16/37/812741637.db2.gz JYZMGSFIZXIBAE-MRXNPFEDSA-N 2 1 297.487 2.489 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132110203 812788705 /nfs/dbraw/zinc/78/87/05/812788705.db2.gz FJDFHEJKUNPYDA-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132110203 812788710 /nfs/dbraw/zinc/78/87/10/812788710.db2.gz FJDFHEJKUNPYDA-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132110203 812788722 /nfs/dbraw/zinc/78/87/22/812788722.db2.gz FJDFHEJKUNPYDA-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152742 812792717 /nfs/dbraw/zinc/79/27/17/812792717.db2.gz IIQDNPSQOBYKCE-HUUCEWRRSA-N 2 1 297.487 2.486 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132152742 812792724 /nfs/dbraw/zinc/79/27/24/812792724.db2.gz IIQDNPSQOBYKCE-HUUCEWRRSA-N 2 1 297.487 2.486 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132152742 812792729 /nfs/dbraw/zinc/79/27/29/812792729.db2.gz IIQDNPSQOBYKCE-HUUCEWRRSA-N 2 1 297.487 2.486 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3ccc(O)cc23)CC[C@@H]1F ZINC001206185022 815558783 /nfs/dbraw/zinc/55/87/83/815558783.db2.gz KMWBMCHHSVJBSJ-KBPBESRZSA-N 2 1 277.343 2.135 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132376709 812836593 /nfs/dbraw/zinc/83/65/93/812836593.db2.gz PQTKTJGCCJGVCY-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCC2)C1 ZINC001132375230 812837053 /nfs/dbraw/zinc/83/70/53/812837053.db2.gz BVLIEIIRBKMLJJ-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132441176 812854657 /nfs/dbraw/zinc/85/46/57/812854657.db2.gz LLSRYYVIKXCDAT-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132441176 812854665 /nfs/dbraw/zinc/85/46/65/812854665.db2.gz LLSRYYVIKXCDAT-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132441176 812854673 /nfs/dbraw/zinc/85/46/73/812854673.db2.gz LLSRYYVIKXCDAT-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132518896 812870620 /nfs/dbraw/zinc/87/06/20/812870620.db2.gz PYHBMDOTXFULPD-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CO[C@H]1CCC[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)C1 ZINC001172946652 815557654 /nfs/dbraw/zinc/55/76/54/815557654.db2.gz VBVZKPFOVVKOAB-KBPBESRZSA-N 2 1 263.385 2.480 20 0 CEADMP Cc1cccc(F)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206185355 815566941 /nfs/dbraw/zinc/56/69/41/815566941.db2.gz MXMZXOFXBUDWEV-KBPBESRZSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1cccc(F)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206185355 815566942 /nfs/dbraw/zinc/56/69/42/815566942.db2.gz MXMZXOFXBUDWEV-KBPBESRZSA-N 2 1 254.324 2.395 20 0 CEADMP CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052378126 812984281 /nfs/dbraw/zinc/98/42/81/812984281.db2.gz RYCUBSVEEYNUQZ-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052498575 812998974 /nfs/dbraw/zinc/99/89/74/812998974.db2.gz IJNLQTIVNORHRH-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001052498575 812998979 /nfs/dbraw/zinc/99/89/79/812998979.db2.gz IJNLQTIVNORHRH-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001052498575 812998990 /nfs/dbraw/zinc/99/89/90/812998990.db2.gz IJNLQTIVNORHRH-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2ncccc12 ZINC001137401895 813032143 /nfs/dbraw/zinc/03/21/43/813032143.db2.gz KOXJCFPJJVENKD-UHFFFAOYSA-N 2 1 272.396 2.481 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]c2ncccc12 ZINC001137401895 813032154 /nfs/dbraw/zinc/03/21/54/813032154.db2.gz KOXJCFPJJVENKD-UHFFFAOYSA-N 2 1 272.396 2.481 20 0 CEADMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@H]2CCSC2)C2CCOCC2)CC1 ZINC001255280399 813039961 /nfs/dbraw/zinc/03/99/61/813039961.db2.gz XOCRJVFTSSZIHP-YDHLFZDLSA-N 2 1 284.469 2.243 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000382643460 813090479 /nfs/dbraw/zinc/09/04/79/813090479.db2.gz OIQATHUKKHQAEN-OAHLLOKOSA-N 2 1 253.434 2.066 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000382643460 813090488 /nfs/dbraw/zinc/09/04/88/813090488.db2.gz OIQATHUKKHQAEN-OAHLLOKOSA-N 2 1 253.434 2.066 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170731704 813218135 /nfs/dbraw/zinc/21/81/35/813218135.db2.gz SMVHUTWDMAJSSF-QDMKHBRRSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCOC1 ZINC000388873215 813244381 /nfs/dbraw/zinc/24/43/81/813244381.db2.gz LLPBBIFRRAIOAF-FIBILERRSA-N 2 1 252.402 2.016 20 0 CEADMP CC/C=C\CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134763192 813321917 /nfs/dbraw/zinc/32/19/17/813321917.db2.gz PGUILYGRSXLJFA-OGZRUICASA-N 2 1 295.471 2.311 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000396536394 813572639 /nfs/dbraw/zinc/57/26/39/813572639.db2.gz JDYYQGCMMWECCU-NVXWUHKLSA-N 2 1 275.440 2.239 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000396686950 813580883 /nfs/dbraw/zinc/58/08/83/813580883.db2.gz YRZUUPKKQDGLNN-RYQLBKOJSA-N 2 1 287.451 2.381 20 0 CEADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC001246018427 813663469 /nfs/dbraw/zinc/66/34/69/813663469.db2.gz DRMAFLGFAIZIRJ-GJZGRUSLSA-N 2 1 284.350 2.012 20 0 CEADMP C[C@@]1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCC[NH2+]C1 ZINC001246102170 813692898 /nfs/dbraw/zinc/69/28/98/813692898.db2.gz RLTKHOMGNQDWSC-QKPAOTATSA-N 3 1 265.445 2.029 20 0 CEADMP C[C@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001246114381 813705398 /nfs/dbraw/zinc/70/53/98/813705398.db2.gz GAAPHWMNKBGWKK-ITDIGPHOSA-N 2 1 264.800 2.395 20 0 CEADMP C[N@@H+](CC[C@H]1CC1(Cl)Cl)C1CC[NH2+]CC1 ZINC000399251823 813705626 /nfs/dbraw/zinc/70/56/26/813705626.db2.gz KHXSJYUKMPIYOP-VIFPVBQESA-N 2 1 251.201 2.254 20 0 CEADMP CC[C@H]1CC([NH2+]C2(C)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246125789 813709202 /nfs/dbraw/zinc/70/92/02/813709202.db2.gz GYSOTLNFYROEKH-STQMWFEESA-N 3 1 253.434 2.027 20 0 CEADMP Fc1ccc(OCCC[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246171867 813718212 /nfs/dbraw/zinc/71/82/12/813718212.db2.gz TWLMKZPSENGFTH-AWEZNQCLSA-N 2 1 266.360 2.326 20 0 CEADMP CCCCCC[C@@H](CCC)[NH2+][C@H]1C[NH2+][C@H](CO)C1 ZINC001246215629 813731933 /nfs/dbraw/zinc/73/19/33/813731933.db2.gz ZRBMEJRZDGJZIC-KFWWJZLASA-N 2 1 256.434 2.438 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1ncc[nH]1 ZINC001074006626 813797068 /nfs/dbraw/zinc/79/70/68/813797068.db2.gz CNDILNHXFRIBLS-CQSZACIVSA-N 2 1 292.427 2.064 20 0 CEADMP CC(C)[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074686093 813844012 /nfs/dbraw/zinc/84/40/12/813844012.db2.gz NYZMFDJLOIJJLK-XHSDSOJGSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@@H]1CN(C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H](C)[N@@H+]1C ZINC001255680747 813925226 /nfs/dbraw/zinc/92/52/26/813925226.db2.gz IPOWWUJAPFYMNT-GJZITSJHSA-N 2 1 265.445 2.026 20 0 CEADMP C[C@@H]1CN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)[NH+]1C ZINC001255680747 813925229 /nfs/dbraw/zinc/92/52/29/813925229.db2.gz IPOWWUJAPFYMNT-GJZITSJHSA-N 2 1 265.445 2.026 20 0 CEADMP C[C@@H]1CN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)[NH+]1C ZINC001255680747 813925236 /nfs/dbraw/zinc/92/52/36/813925236.db2.gz IPOWWUJAPFYMNT-GJZITSJHSA-N 2 1 265.445 2.026 20 0 CEADMP CCC[NH+]1CCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255681112 813925277 /nfs/dbraw/zinc/92/52/77/813925277.db2.gz MRJKRVPMICAQFG-XYPWUTKMSA-N 2 1 265.445 2.029 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246556427 814032359 /nfs/dbraw/zinc/03/23/59/814032359.db2.gz ZSHPWXMGGGLMCY-YCPHGPKFSA-N 2 1 282.428 2.312 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246568388 814071060 /nfs/dbraw/zinc/07/10/60/814071060.db2.gz OAMGLSFHNCNTDT-OWCLPIDISA-N 3 1 269.477 2.414 20 0 CEADMP C[C@@H](Cc1ccncc1)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246573872 814106284 /nfs/dbraw/zinc/10/62/84/814106284.db2.gz ZISMVBBBUXPYKU-YCPHGPKFSA-N 2 1 261.413 2.319 20 0 CEADMP CC[NH+](CC)CCN(C)Cc1[nH+]cn2ccccc12 ZINC001144611148 814125781 /nfs/dbraw/zinc/12/57/81/814125781.db2.gz JIZMECYWANIPTK-UHFFFAOYSA-N 2 1 260.385 2.108 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC001246579380 814140782 /nfs/dbraw/zinc/14/07/82/814140782.db2.gz DRJJZZONCIPGGY-LSDHHAIUSA-N 2 1 282.428 2.123 20 0 CEADMP [NH3+]C[C@H]1CCCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246583822 814165783 /nfs/dbraw/zinc/16/57/83/814165783.db2.gz SDHOHCQPZUUCSQ-KLAILNCOSA-N 3 1 279.472 2.360 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2CC([NH2+]C(C)C)C2)C1 ZINC001091198658 814177711 /nfs/dbraw/zinc/17/77/11/814177711.db2.gz OICBHMAJPHDSEJ-PCKAHOCUSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246588511 814181182 /nfs/dbraw/zinc/18/11/82/814181182.db2.gz ZUEGOKFBPGAVKS-JYJNAYRXSA-N 3 1 267.461 2.214 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246588511 814181184 /nfs/dbraw/zinc/18/11/84/814181184.db2.gz ZUEGOKFBPGAVKS-JYJNAYRXSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCc3ncsc3C2)C1 ZINC001246592696 814184651 /nfs/dbraw/zinc/18/46/51/814184651.db2.gz LCHQWKFYQDCEAV-SWLSCSKDSA-N 2 1 279.453 2.451 20 0 CEADMP CCCCOC(=O)CC[C@@H](C)[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001246594818 814190959 /nfs/dbraw/zinc/19/09/59/814190959.db2.gz MODVPKYDDKJDHW-ZIAGYGMSSA-N 2 1 270.417 2.182 20 0 CEADMP CCCCOC(=O)CC[C@@H](C)[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001246594818 814190965 /nfs/dbraw/zinc/19/09/65/814190965.db2.gz MODVPKYDDKJDHW-ZIAGYGMSSA-N 2 1 270.417 2.182 20 0 CEADMP CCC(CC)C[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100831098 814195855 /nfs/dbraw/zinc/19/58/55/814195855.db2.gz FTHWLPNAIHMMII-UHFFFAOYSA-N 2 1 297.487 2.249 20 0 CEADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)C[N@H+](C)CCC)C1 ZINC001100901642 814202874 /nfs/dbraw/zinc/20/28/74/814202874.db2.gz GKXILJWUGGYAHY-VOTSOKGWSA-N 2 1 295.471 2.169 20 0 CEADMP C1CC2(C1)C[C@@H]([N@H+]1CCC[C@]13CCC[NH2+]CC3)CC[NH2+]2 ZINC001246604881 814204553 /nfs/dbraw/zinc/20/45/53/814204553.db2.gz JBAKKUAGALZITH-RDJZCZTQSA-N 3 1 277.456 2.269 20 0 CEADMP C1N([C@@H]2CC[NH2+]C3(CCCCC3)C2)CC12CC[NH2+]CC2 ZINC001246639639 814237447 /nfs/dbraw/zinc/23/74/47/814237447.db2.gz QHPRLUMDZHLADQ-OAHLLOKOSA-N 2 1 277.456 2.127 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@]23CC[NH2+]C3)C[C@H](C)O1 ZINC001246641314 814240056 /nfs/dbraw/zinc/24/00/56/814240056.db2.gz DNZRBJYYMTWTBN-XGUBFFRZSA-N 2 1 252.402 2.160 20 0 CEADMP COc1cccc(CC[N@@H+](C)[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246813420 814265850 /nfs/dbraw/zinc/26/58/50/814265850.db2.gz JVFGLONYUFDYKP-ZFWWWQNUSA-N 2 1 262.397 2.310 20 0 CEADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(C)C ZINC001146333090 814275444 /nfs/dbraw/zinc/27/54/44/814275444.db2.gz MAGZFPJWVJJTJR-ZIAGYGMSSA-N 2 1 294.443 2.111 20 0 CEADMP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246858183 814297146 /nfs/dbraw/zinc/29/71/46/814297146.db2.gz CYVBELJOXBXKRI-OFBDQPAMSA-N 2 1 254.418 2.107 20 0 CEADMP CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706486 814310827 /nfs/dbraw/zinc/31/08/27/814310827.db2.gz FQIWBYGISVPCHT-GJZGRUSLSA-N 2 1 291.439 2.011 20 0 CEADMP CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706486 814310833 /nfs/dbraw/zinc/31/08/33/814310833.db2.gz FQIWBYGISVPCHT-GJZGRUSLSA-N 2 1 291.439 2.011 20 0 CEADMP C[C@H](Cc1ccccc1F)[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001246876686 814329725 /nfs/dbraw/zinc/32/97/25/814329725.db2.gz LWMCWAFFVYBMQB-QWHCGFSZSA-N 2 1 250.361 2.441 20 0 CEADMP C[C@H](Cc1ccccc1F)[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001246876686 814329731 /nfs/dbraw/zinc/32/97/31/814329731.db2.gz LWMCWAFFVYBMQB-QWHCGFSZSA-N 2 1 250.361 2.441 20 0 CEADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246985212 814490787 /nfs/dbraw/zinc/49/07/87/814490787.db2.gz AFZRABFHKZQGSD-MJBXVCDLSA-N 2 1 254.418 2.107 20 0 CEADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246985212 814490790 /nfs/dbraw/zinc/49/07/90/814490790.db2.gz AFZRABFHKZQGSD-MJBXVCDLSA-N 2 1 254.418 2.107 20 0 CEADMP CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103656057 814513993 /nfs/dbraw/zinc/51/39/93/814513993.db2.gz QKYVTMGOLHEQQV-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CC[C@H](C(=O)N1CC2(C1)CC[N@H+](C(C)C)C2)[NH+](CC)CC ZINC001148286736 814551402 /nfs/dbraw/zinc/55/14/02/814551402.db2.gz XTHZBLRWPCJGNV-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693715429 814628956 /nfs/dbraw/zinc/62/89/56/814628956.db2.gz DAHSMRKEEJFEFM-QLFBSQMISA-N 2 1 267.461 2.083 20 0 CEADMP CCOC(=O)C[N@@H+](C)C1CCC([NH+](CC)CC)CC1 ZINC001173109229 815582898 /nfs/dbraw/zinc/58/28/98/815582898.db2.gz DPTRCQYLDFKBHQ-UHFFFAOYSA-N 2 1 270.417 2.134 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](CC)C2COC2)CC1 ZINC001173114316 815583789 /nfs/dbraw/zinc/58/37/89/815583789.db2.gz GEZFVGVTSOZUTR-UHFFFAOYSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCO[C@@H]3C[C@@H]32)CC1 ZINC001173114053 815584359 /nfs/dbraw/zinc/58/43/59/815584359.db2.gz UOCUNWXGHXEPTL-PFSRBDOWSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(C)(C)CO2)CC[N@H+]1C ZINC000713518155 814862189 /nfs/dbraw/zinc/86/21/89/814862189.db2.gz ZFSJMPCLORDSLX-MCIONIFRSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)[nH]n1 ZINC001116554572 814864006 /nfs/dbraw/zinc/86/40/06/814864006.db2.gz XSQFFTFRBLOYPS-CYBMUJFWSA-N 2 1 250.390 2.072 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)OC1 ZINC000713584961 814866338 /nfs/dbraw/zinc/86/63/38/814866338.db2.gz HOUPGUOSXIDGQX-XGUBFFRZSA-N 2 1 266.429 2.251 20 0 CEADMP CC1(C)CCC[C@@H](C[N@H+]2CC[NH2+]CCC2(C)C)O1 ZINC000714320660 814893496 /nfs/dbraw/zinc/89/34/96/814893496.db2.gz LGEWFCDGZHKITE-ZDUSSCGKSA-N 2 1 254.418 2.408 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000714766519 814915601 /nfs/dbraw/zinc/91/56/01/814915601.db2.gz WXJSMVVERFUULJ-UHFFFAOYSA-N 2 1 278.444 2.421 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001124878514 815634061 /nfs/dbraw/zinc/63/40/61/815634061.db2.gz NDRAMSREAOPNEJ-OAHLLOKOSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@H]1CC[C@@H]([N@@H+](CCC[NH+](C)C)CCC(=O)OC)C1 ZINC001173282390 815668943 /nfs/dbraw/zinc/66/89/43/815668943.db2.gz XUJAWETVSZZXOG-LSDHHAIUSA-N 2 1 284.444 2.382 20 0 CEADMP CC[N@H+]1CC[C@H](NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001173349616 815685049 /nfs/dbraw/zinc/68/50/49/815685049.db2.gz JFXJTARWNWVRHS-JYJNAYRXSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001173358363 815699843 /nfs/dbraw/zinc/69/98/43/815699843.db2.gz DYUYLHLGOTZZST-QZTJIDSGSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CC[C@@H](N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001173358363 815699849 /nfs/dbraw/zinc/69/98/49/815699849.db2.gz DYUYLHLGOTZZST-QZTJIDSGSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CC[C@@H](N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001173358363 815699854 /nfs/dbraw/zinc/69/98/54/815699854.db2.gz DYUYLHLGOTZZST-QZTJIDSGSA-N 2 1 287.451 2.287 20 0 CEADMP CC[N@@H+]1CC[C@@H](N2CC3(CC[NH+]3Cc3ccccc3)C2)C1 ZINC001173365961 815705265 /nfs/dbraw/zinc/70/52/65/815705265.db2.gz SZAZGPWATVSILX-QGZVFWFLSA-N 2 1 285.435 2.041 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC3(CC[NH+]3Cc3ccccc3)C2)C1 ZINC001173365961 815705273 /nfs/dbraw/zinc/70/52/73/815705273.db2.gz SZAZGPWATVSILX-QGZVFWFLSA-N 2 1 285.435 2.041 20 0 CEADMP CC[NH+]1CC[C@@H](N2CC3(CC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001173365961 815705279 /nfs/dbraw/zinc/70/52/79/815705279.db2.gz SZAZGPWATVSILX-QGZVFWFLSA-N 2 1 285.435 2.041 20 0 CEADMP CC[NH+]1CC[C@@H](N2CC3(CC[N@H+]3Cc3ccccc3)C2)C1 ZINC001173365961 815705281 /nfs/dbraw/zinc/70/52/81/815705281.db2.gz SZAZGPWATVSILX-QGZVFWFLSA-N 2 1 285.435 2.041 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[NH+](CCc3cccs3)CC2)C1 ZINC001173365671 815705397 /nfs/dbraw/zinc/70/53/97/815705397.db2.gz MZXIKRBJPINFBK-HNNXBMFYSA-N 2 1 293.480 2.002 20 0 CEADMP CC[N@@H+]1CC[C@H](n2ccc(C[NH2+]Cc3ccccc3)n2)C1 ZINC001173369447 815707262 /nfs/dbraw/zinc/70/72/62/815707262.db2.gz VYARZDKDKRQMST-KRWDZBQOSA-N 2 1 284.407 2.440 20 0 CEADMP CC[N@H+]1CC[C@H](n2ccc(C[NH2+]Cc3ccccc3)n2)C1 ZINC001173369447 815707267 /nfs/dbraw/zinc/70/72/67/815707267.db2.gz VYARZDKDKRQMST-KRWDZBQOSA-N 2 1 284.407 2.440 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173474680 815724207 /nfs/dbraw/zinc/72/42/07/815724207.db2.gz GASYUCGIYWYDHQ-UHFFFAOYSA-N 2 1 277.318 2.227 20 0 CEADMP COC(=O)CCCC[C@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001173449815 815734560 /nfs/dbraw/zinc/73/45/60/815734560.db2.gz WERRWVWEXOSFJP-LBPRGKRZSA-N 2 1 267.373 2.069 20 0 CEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc3nccnc13)C2 ZINC001138307844 815764136 /nfs/dbraw/zinc/76/41/36/815764136.db2.gz OEYUVMFBJXEGMY-RHSMWYFYSA-N 2 1 282.391 2.013 20 0 CEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc3nccnc13)C2 ZINC001138307844 815764142 /nfs/dbraw/zinc/76/41/42/815764142.db2.gz OEYUVMFBJXEGMY-RHSMWYFYSA-N 2 1 282.391 2.013 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173623350 815767165 /nfs/dbraw/zinc/76/71/65/815767165.db2.gz SAFITYJNDOUPJY-ZIAGYGMSSA-N 2 1 270.417 2.169 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)C1 ZINC001173636027 815774124 /nfs/dbraw/zinc/77/41/24/815774124.db2.gz FJHCHRJLGXCAJM-KFWWJZLASA-N 2 1 282.428 2.182 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CC(C3COC3)C2)cc1 ZINC001138543341 815824139 /nfs/dbraw/zinc/82/41/39/815824139.db2.gz LZDMUXGIOCKQKD-UHFFFAOYSA-N 2 1 283.375 2.259 20 0 CEADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(C)n[nH]c2C)CC1 ZINC001139097198 815958496 /nfs/dbraw/zinc/95/84/96/815958496.db2.gz VSRJTOQOQOLRBE-UHFFFAOYSA-N 2 1 299.422 2.469 20 0 CEADMP C[NH+](C)CCC[N@H+](C)Cc1ccc2nsnc2c1 ZINC001139208167 815986405 /nfs/dbraw/zinc/98/64/05/815986405.db2.gz NWCIODIDSNZYSG-UHFFFAOYSA-N 2 1 264.398 2.075 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc2nsnc2c1 ZINC001139208167 815986408 /nfs/dbraw/zinc/98/64/08/815986408.db2.gz NWCIODIDSNZYSG-UHFFFAOYSA-N 2 1 264.398 2.075 20 0 CEADMP O[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@H]1F ZINC001139356476 816011147 /nfs/dbraw/zinc/01/11/47/816011147.db2.gz MLJYMRZFBKDFJF-HZPDHXFCSA-N 2 1 289.354 2.167 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(cnn4C)c3)C[C@@H]2C1 ZINC001139957666 816150821 /nfs/dbraw/zinc/15/08/21/816150821.db2.gz OCFKEUOZGDQATI-CALCHBBNSA-N 2 1 298.434 2.347 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(cnn4C)c3)C[C@@H]2C1 ZINC001139957666 816150823 /nfs/dbraw/zinc/15/08/23/816150823.db2.gz OCFKEUOZGDQATI-CALCHBBNSA-N 2 1 298.434 2.347 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(cnn4C)c3)C[C@@H]2C1 ZINC001139957666 816150826 /nfs/dbraw/zinc/15/08/26/816150826.db2.gz OCFKEUOZGDQATI-CALCHBBNSA-N 2 1 298.434 2.347 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(cnn4C)c3)C[C@@H]2C1 ZINC001139957666 816150828 /nfs/dbraw/zinc/15/08/28/816150828.db2.gz OCFKEUOZGDQATI-CALCHBBNSA-N 2 1 298.434 2.347 20 0 CEADMP CN(Cc1cccnn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139971101 816153527 /nfs/dbraw/zinc/15/35/27/816153527.db2.gz BXZRJKHKWXRMLJ-QGZVFWFLSA-N 2 1 296.418 2.431 20 0 CEADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175255158 816163304 /nfs/dbraw/zinc/16/33/04/816163304.db2.gz DCOJPPZXQOFWAC-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1cc(Nc2cnc3c(c2)C[N@@H+](C)CC3)cc(C)[nH+]1 ZINC001176055375 816342028 /nfs/dbraw/zinc/34/20/28/816342028.db2.gz WBIKSXNHIROLOB-UHFFFAOYSA-N 2 1 268.364 2.247 20 0 CEADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176166565 816358545 /nfs/dbraw/zinc/35/85/45/816358545.db2.gz SEILWLHJQOORHW-JKSUJKDBSA-N 2 1 297.487 2.393 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001140805297 816366938 /nfs/dbraw/zinc/36/69/38/816366938.db2.gz ZZMSOESFHTZWQB-AWEZNQCLSA-N 2 1 270.380 2.233 20 0 CEADMP CN1C(=O)CC[C@@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)CC[C@H]21 ZINC001140806804 816368241 /nfs/dbraw/zinc/36/82/41/816368241.db2.gz SLFHGJKNBDLGHR-MLGOLLRUSA-N 2 1 298.390 2.006 20 0 CEADMP CN1C(=O)CC[C@@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)CC[C@H]21 ZINC001140806804 816368248 /nfs/dbraw/zinc/36/82/48/816368248.db2.gz SLFHGJKNBDLGHR-MLGOLLRUSA-N 2 1 298.390 2.006 20 0 CEADMP COc1cc(F)c(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c(F)c1 ZINC001140824497 816374343 /nfs/dbraw/zinc/37/43/43/816374343.db2.gz ACTPJDWGOYYSHN-NEPJUHHUSA-N 2 1 296.361 2.357 20 0 CEADMP c1cn2ccc(C[N@H+]3CC[C@@H]4OCCC[C@@H]4C3)cc2n1 ZINC001141042386 816457499 /nfs/dbraw/zinc/45/74/99/816457499.db2.gz OXOMTJJVJPCDQP-CABCVRRESA-N 2 1 271.364 2.335 20 0 CEADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176760490 816475265 /nfs/dbraw/zinc/47/52/65/816475265.db2.gz YOIQMSZUUIYIKJ-CQSZACIVSA-N 2 1 271.449 2.001 20 0 CEADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc3cccnc3[nH]2)C1 ZINC001206624847 816495457 /nfs/dbraw/zinc/49/54/57/816495457.db2.gz YZECDTNKQUSRIJ-LBPRGKRZSA-N 2 1 258.369 2.124 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CC1CCCCC1 ZINC001176986230 816503457 /nfs/dbraw/zinc/50/34/57/816503457.db2.gz IFLROWCALZUMDN-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP CC/C=C\CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176986398 816503727 /nfs/dbraw/zinc/50/37/27/816503727.db2.gz MXKTWXKCMJBINO-KJPDOMRESA-N 2 1 295.471 2.313 20 0 CEADMP CCCCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176992629 816506303 /nfs/dbraw/zinc/50/63/03/816506303.db2.gz VXJRVGMZWZPPHV-OAHLLOKOSA-N 2 1 283.460 2.147 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206293202 816520176 /nfs/dbraw/zinc/52/01/76/816520176.db2.gz GRWCWMTUVXPHDM-OAHLLOKOSA-N 3 1 255.450 2.025 20 0 CEADMP CN(C)CC(C)(C)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206293202 816520183 /nfs/dbraw/zinc/52/01/83/816520183.db2.gz GRWCWMTUVXPHDM-OAHLLOKOSA-N 2 1 255.450 2.025 20 0 CEADMP CN(C)CC(C)(C)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206293202 816520185 /nfs/dbraw/zinc/52/01/85/816520185.db2.gz GRWCWMTUVXPHDM-OAHLLOKOSA-N 2 1 255.450 2.025 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC001177225860 816534436 /nfs/dbraw/zinc/53/44/36/816534436.db2.gz LUBDGXBGPIVJQO-SQWLQELKSA-N 2 1 266.429 2.266 20 0 CEADMP COCc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001206317578 816689692 /nfs/dbraw/zinc/68/96/92/816689692.db2.gz HTRDXWBYBVNPTR-MRXNPFEDSA-N 2 1 277.412 2.179 20 0 CEADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178523403 816757927 /nfs/dbraw/zinc/75/79/27/816757927.db2.gz YJRYSZRNYGQFHO-HZPDHXFCSA-N 2 1 297.487 2.249 20 0 CEADMP COC1CCC(C[N@H+]2CCCC[C@](F)(CN)C2)CC1 ZINC001206335300 816769253 /nfs/dbraw/zinc/76/92/53/816769253.db2.gz DREATUWDNYOFEA-NRXISQOPSA-N 2 1 272.408 2.345 20 0 CEADMP COC1CCC(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001206335300 816769255 /nfs/dbraw/zinc/76/92/55/816769255.db2.gz DREATUWDNYOFEA-NRXISQOPSA-N 2 1 272.408 2.345 20 0 CEADMP COC1CCC(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001206335300 816769261 /nfs/dbraw/zinc/76/92/61/816769261.db2.gz DREATUWDNYOFEA-NRXISQOPSA-N 2 1 272.408 2.345 20 0 CEADMP CC(C)[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178832446 816799737 /nfs/dbraw/zinc/79/97/37/816799737.db2.gz FWFSQQHWXGRHQY-OAHLLOKOSA-N 2 1 283.460 2.145 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCCC[C@@](F)(C[NH3+])C2)c1C ZINC001206378283 816855617 /nfs/dbraw/zinc/85/56/17/816855617.db2.gz DSGKYRYPCPIHGD-MRXNPFEDSA-N 2 1 295.402 2.360 20 0 CEADMP CC(C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179383457 816859700 /nfs/dbraw/zinc/85/97/00/816859700.db2.gz XWVGTSZRUFMXNC-HOTGVXAUSA-N 2 1 297.487 2.391 20 0 CEADMP Cc1cc(N2CC[NH+](Cc3ccoc3)CC2)cc[nH+]1 ZINC001204244351 816862740 /nfs/dbraw/zinc/86/27/40/816862740.db2.gz DEZDULMYYHDDKU-UHFFFAOYSA-N 2 1 257.337 2.305 20 0 CEADMP CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC001179546033 816878447 /nfs/dbraw/zinc/87/84/47/816878447.db2.gz ABTNMMNWHJUPEM-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179587117 816881536 /nfs/dbraw/zinc/88/15/36/816881536.db2.gz WGVGKJNSKAAIBV-OAHLLOKOSA-N 2 1 283.460 2.004 20 0 CEADMP CNC(=O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449061890 282084877 /nfs/dbraw/zinc/08/48/77/282084877.db2.gz WWACKLAMSMGAAY-UHFFFAOYSA-N 2 1 283.460 2.001 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000337438421 214082492 /nfs/dbraw/zinc/08/24/92/214082492.db2.gz DYKHLVUKOWKHEE-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CC1=C[C@@H](C)C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000337452334 214089672 /nfs/dbraw/zinc/08/96/72/214089672.db2.gz FZBMYHUHOAAHOO-MRXNPFEDSA-N 2 1 279.472 2.301 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C)cc2OC)C1 ZINC000449090817 282097087 /nfs/dbraw/zinc/09/70/87/282097087.db2.gz OPENHNAQBFBDLT-CQSZACIVSA-N 2 1 262.397 2.435 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C)cc2OC)C1 ZINC000449090817 282097089 /nfs/dbraw/zinc/09/70/89/282097089.db2.gz OPENHNAQBFBDLT-CQSZACIVSA-N 2 1 262.397 2.435 20 0 CEADMP Cc1ccc2nc(CN[C@@H]3CC[N@H+](C)C[C@H]3C)cn2c1 ZINC000336527170 365598719 /nfs/dbraw/zinc/59/87/19/365598719.db2.gz FAHDCDNACZCSSF-UKRRQHHQSA-N 2 1 272.396 2.073 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000567638831 299069987 /nfs/dbraw/zinc/06/99/87/299069987.db2.gz JWAYDFLLGYYOJY-AWEZNQCLSA-N 2 1 251.349 2.261 20 0 CEADMP CCC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000449123572 282109416 /nfs/dbraw/zinc/10/94/16/282109416.db2.gz CURHFLLZGBCROF-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+](CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CCCC1 ZINC000121711263 365606368 /nfs/dbraw/zinc/60/63/68/365606368.db2.gz QOOAAWKMHNXDIV-XHSDSOJGSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@@H+](CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CCCC1 ZINC000121711263 365606377 /nfs/dbraw/zinc/60/63/77/365606377.db2.gz QOOAAWKMHNXDIV-XHSDSOJGSA-N 2 1 278.440 2.408 20 0 CEADMP Cc1n[nH]c(C)c1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000121786141 365615604 /nfs/dbraw/zinc/61/56/04/365615604.db2.gz XSWSFKUJZOWXDT-UHFFFAOYSA-N 2 1 287.411 2.215 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@H]3CCCOC3)C2)CC1 ZINC000336554792 365638110 /nfs/dbraw/zinc/63/81/10/365638110.db2.gz PUJLKKDKIRIVHZ-GDBMZVCRSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000449155411 282123270 /nfs/dbraw/zinc/12/32/70/282123270.db2.gz PQESUUPVQLKOSU-CABCVRRESA-N 2 1 297.487 2.105 20 0 CEADMP CCOC(=O)c1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)[nH]c1C ZINC000449175169 282131065 /nfs/dbraw/zinc/13/10/65/282131065.db2.gz QPXMYFFURRPYJK-AAEUAGOBSA-N 2 1 293.411 2.072 20 0 CEADMP CCOC(=O)c1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)[nH]c1C ZINC000449175169 282131069 /nfs/dbraw/zinc/13/10/69/282131069.db2.gz QPXMYFFURRPYJK-AAEUAGOBSA-N 2 1 293.411 2.072 20 0 CEADMP Cc1ccnc(C)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336586783 365682552 /nfs/dbraw/zinc/68/25/52/365682552.db2.gz PYAXGNWWDKHSDD-YPMHNXCESA-N 2 1 276.384 2.303 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000337751220 214244705 /nfs/dbraw/zinc/24/47/05/214244705.db2.gz JDMYVBVQDLGHCS-INIZCTEOSA-N 2 1 262.397 2.299 20 0 CEADMP Cc1cccc(OCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000125327993 187179668 /nfs/dbraw/zinc/17/96/68/187179668.db2.gz WMRQDPHCDSHZOP-UAGQMJEPSA-N 2 1 274.408 2.433 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000621381660 349589659 /nfs/dbraw/zinc/58/96/59/349589659.db2.gz YULAMEHJUJGGOB-AWEZNQCLSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000621381660 349589661 /nfs/dbraw/zinc/58/96/61/349589661.db2.gz YULAMEHJUJGGOB-AWEZNQCLSA-N 2 1 265.401 2.065 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000036908057 361870243 /nfs/dbraw/zinc/87/02/43/361870243.db2.gz YQGYBNQEBUKBTB-TUVASFSCSA-N 2 1 279.428 2.201 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000036908057 361870245 /nfs/dbraw/zinc/87/02/45/361870245.db2.gz YQGYBNQEBUKBTB-TUVASFSCSA-N 2 1 279.428 2.201 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOCC[NH3+])CC[C@@H]1c1ccccc1 ZINC000357089885 529394121 /nfs/dbraw/zinc/39/41/21/529394121.db2.gz ZRAMORJDOUAGSD-WBVHZDCISA-N 2 1 276.424 2.477 20 0 CEADMP COCCOc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000125470518 187186658 /nfs/dbraw/zinc/18/66/58/187186658.db2.gz NMTAYQBRMJYCEU-MRXNPFEDSA-N 2 1 292.423 2.095 20 0 CEADMP COCCOc1cccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000125470518 187186659 /nfs/dbraw/zinc/18/66/59/187186659.db2.gz NMTAYQBRMJYCEU-MRXNPFEDSA-N 2 1 292.423 2.095 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000567692923 299077214 /nfs/dbraw/zinc/07/72/14/299077214.db2.gz GSYVKNCCLQAWMR-HNNXBMFYSA-N 2 1 289.423 2.337 20 0 CEADMP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000037981983 361971329 /nfs/dbraw/zinc/97/13/29/361971329.db2.gz VHPAUFUWHDZRIR-WMLDXEAASA-N 2 1 276.424 2.356 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nccs1 ZINC000338009114 214357490 /nfs/dbraw/zinc/35/74/90/214357490.db2.gz HBRVVSSKEFHLFR-SNVBAGLBSA-N 2 1 250.371 2.389 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000125832210 365687867 /nfs/dbraw/zinc/68/78/67/365687867.db2.gz TUDIKTFFNQDYDM-WCXIOVBPSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000125832210 365687870 /nfs/dbraw/zinc/68/78/70/365687870.db2.gz TUDIKTFFNQDYDM-WCXIOVBPSA-N 3 1 281.488 2.425 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000125832210 365687873 /nfs/dbraw/zinc/68/78/73/365687873.db2.gz TUDIKTFFNQDYDM-WCXIOVBPSA-N 3 1 281.488 2.425 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000125832210 365687876 /nfs/dbraw/zinc/68/78/76/365687876.db2.gz TUDIKTFFNQDYDM-WCXIOVBPSA-N 3 1 281.488 2.425 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000125832210 365687878 /nfs/dbraw/zinc/68/78/78/365687878.db2.gz TUDIKTFFNQDYDM-WCXIOVBPSA-N 3 1 281.488 2.425 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000125832210 365687883 /nfs/dbraw/zinc/68/78/83/365687883.db2.gz TUDIKTFFNQDYDM-WCXIOVBPSA-N 3 1 281.488 2.425 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)CC2CN(C)C2)cc1 ZINC000668537267 539192392 /nfs/dbraw/zinc/19/23/92/539192392.db2.gz DBGAIUAXOZJTBA-UHFFFAOYSA-N 2 1 284.407 2.379 20 0 CEADMP CN1CC(C[N@@H+](C)C[C@H]2CCOc3ccccc32)C1 ZINC000668540203 539194127 /nfs/dbraw/zinc/19/41/27/539194127.db2.gz ZQGUHCOHOAHIOM-CQSZACIVSA-N 2 1 260.381 2.046 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2([NH+](C)C)CC2)C1 ZINC000668572872 539202268 /nfs/dbraw/zinc/20/22/68/539202268.db2.gz MTCIPTYZNOBBEZ-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2([NH+](C)C)CC2)C1 ZINC000668572872 539202269 /nfs/dbraw/zinc/20/22/69/539202269.db2.gz MTCIPTYZNOBBEZ-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CC1CC(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000621738368 349689283 /nfs/dbraw/zinc/68/92/83/349689283.db2.gz DKYVNAAQGYIXIF-XUJLQICISA-N 2 1 266.429 2.266 20 0 CEADMP CO[C@H](C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1)c1ccccc1 ZINC000621784324 349701702 /nfs/dbraw/zinc/70/17/02/349701702.db2.gz NIXSDIYURUFBKE-ARFHVFGLSA-N 2 1 260.381 2.187 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1)c1ccccc1 ZINC000621784324 349701706 /nfs/dbraw/zinc/70/17/06/349701706.db2.gz NIXSDIYURUFBKE-ARFHVFGLSA-N 2 1 260.381 2.187 20 0 CEADMP COc1c(C)c[nH+]c(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c1C ZINC000621783218 349701731 /nfs/dbraw/zinc/70/17/31/349701731.db2.gz YUQNETYGIRLERH-CZUORRHYSA-N 2 1 275.396 2.020 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357065297 529543980 /nfs/dbraw/zinc/54/39/80/529543980.db2.gz AEKWXMYHWPJAIO-CVEARBPZSA-N 2 1 274.408 2.169 20 0 CEADMP COc1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)cn1 ZINC000621774956 349696881 /nfs/dbraw/zinc/69/68/81/349696881.db2.gz BEKLQQAWEPLOJF-UHFFFAOYSA-N 2 1 277.412 2.431 20 0 CEADMP Cc1cccnc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000093189906 539234386 /nfs/dbraw/zinc/23/43/86/539234386.db2.gz COPMUYIHQFOJRP-UHFFFAOYSA-N 2 1 268.364 2.107 20 0 CEADMP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)n1C ZINC000668690584 539238377 /nfs/dbraw/zinc/23/83/77/539238377.db2.gz WUTDPGKIVPMIDC-MRXNPFEDSA-N 2 1 284.407 2.439 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449364736 282201666 /nfs/dbraw/zinc/20/16/66/282201666.db2.gz OLSOSYOMWUFSHP-PMPSAXMXSA-N 2 1 295.471 2.227 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000289027758 282206715 /nfs/dbraw/zinc/20/67/15/282206715.db2.gz OLVBQKIQAOKLQF-UHFFFAOYSA-N 2 1 285.347 2.065 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000289027758 282206722 /nfs/dbraw/zinc/20/67/22/282206722.db2.gz OLVBQKIQAOKLQF-UHFFFAOYSA-N 2 1 285.347 2.065 20 0 CEADMP C([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668817815 539277757 /nfs/dbraw/zinc/27/77/57/539277757.db2.gz AFGJVPKMVYGZDY-PVAVHDDUSA-N 2 1 278.440 2.266 20 0 CEADMP C[N@@H+](CCC[NH2+]CC1=CCCOC1)Cc1ccccc1 ZINC000126286303 187230188 /nfs/dbraw/zinc/23/01/88/187230188.db2.gz VWRHZYWKWMNQMC-UHFFFAOYSA-N 2 1 274.408 2.445 20 0 CEADMP Cc1nccn1C[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000163169102 282217084 /nfs/dbraw/zinc/21/70/84/282217084.db2.gz BVAKATVOPWABCK-JKSUJKDBSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1nccn1C[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000163169102 282217085 /nfs/dbraw/zinc/21/70/85/282217085.db2.gz BVAKATVOPWABCK-JKSUJKDBSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1nccn1C[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000163169102 282217086 /nfs/dbraw/zinc/21/70/86/282217086.db2.gz BVAKATVOPWABCK-JKSUJKDBSA-N 2 1 276.428 2.140 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@H]1[NH3+] ZINC000336625653 365737890 /nfs/dbraw/zinc/73/78/90/365737890.db2.gz MSVNAUJEWOXEGO-BLLLJJGKSA-N 2 1 288.370 2.181 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@H]1[NH3+] ZINC000336625653 365737895 /nfs/dbraw/zinc/73/78/95/365737895.db2.gz MSVNAUJEWOXEGO-BLLLJJGKSA-N 2 1 288.370 2.181 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000322901813 539297643 /nfs/dbraw/zinc/29/76/43/539297643.db2.gz HKLGBOKQAFPFSR-LUGNKYPNSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000126681833 187255003 /nfs/dbraw/zinc/25/50/03/187255003.db2.gz GUICNEJKZHNGTA-UKRRQHHQSA-N 2 1 274.408 2.397 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000567811782 299093874 /nfs/dbraw/zinc/09/38/74/299093874.db2.gz JRQJDDGLFCQJEU-DVOMOZLQSA-N 2 1 289.423 2.261 20 0 CEADMP CCC1(O)CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351179137 219082905 /nfs/dbraw/zinc/08/29/05/219082905.db2.gz DBVRJYSYTBDSOE-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CC2CCCCC2)CC1 ZINC000048044817 362241671 /nfs/dbraw/zinc/24/16/71/362241671.db2.gz CSSMIRWJVAFAJU-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nccs2)[C@H](C)C1 ZINC000127878913 365766583 /nfs/dbraw/zinc/76/65/83/365766583.db2.gz UKTODJRCOMVFKI-VXGBXAGGSA-N 2 1 253.415 2.006 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000043402114 539324516 /nfs/dbraw/zinc/32/45/16/539324516.db2.gz SQRDGHGJNCFYTK-RYUDHWBXSA-N 2 1 278.400 2.418 20 0 CEADMP COc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)n1 ZINC000449559506 282283554 /nfs/dbraw/zinc/28/35/54/282283554.db2.gz BUUPGHNTDBLFSS-GOOCMWNKSA-N 2 1 289.423 2.422 20 0 CEADMP COc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)n1 ZINC000449559506 282283556 /nfs/dbraw/zinc/28/35/56/282283556.db2.gz BUUPGHNTDBLFSS-GOOCMWNKSA-N 2 1 289.423 2.422 20 0 CEADMP COc1ccccc1OCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000128388575 365786915 /nfs/dbraw/zinc/78/69/15/365786915.db2.gz PJEJHZHYFVAYTM-KGLIPLIRSA-N 2 1 278.396 2.004 20 0 CEADMP C[N@@H+](CCCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411698915 529894116 /nfs/dbraw/zinc/89/41/16/529894116.db2.gz VXIBFWFYFZWNJT-UHFFFAOYSA-N 2 1 276.424 2.487 20 0 CEADMP COC(C)(C)CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000336783577 365799105 /nfs/dbraw/zinc/79/91/05/365799105.db2.gz BRGGGBUPDNRYJY-UHFFFAOYSA-N 2 1 253.390 2.329 20 0 CEADMP COC(C)(C)CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000336783577 365799113 /nfs/dbraw/zinc/79/91/13/365799113.db2.gz BRGGGBUPDNRYJY-UHFFFAOYSA-N 2 1 253.390 2.329 20 0 CEADMP CC(C)OC(=O)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000075713389 343863789 /nfs/dbraw/zinc/86/37/89/343863789.db2.gz KAFUQHJTTOPPPJ-UHFFFAOYSA-N 2 1 284.444 2.380 20 0 CEADMP COC(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000336783919 365800814 /nfs/dbraw/zinc/80/08/14/365800814.db2.gz JGEJKTKMQHIIRK-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP COC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000336783919 365800821 /nfs/dbraw/zinc/80/08/21/365800821.db2.gz JGEJKTKMQHIIRK-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP COC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000336783919 365800827 /nfs/dbraw/zinc/80/08/27/365800827.db2.gz JGEJKTKMQHIIRK-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP C[S@](=O)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000085299048 344093894 /nfs/dbraw/zinc/09/38/94/344093894.db2.gz PJGLVKVTWFTSRI-HXUWFJFHSA-N 2 1 292.448 2.140 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000089667065 344127250 /nfs/dbraw/zinc/12/72/50/344127250.db2.gz XYUVIWHSQXJKKH-OLZOCXBDSA-N 2 1 293.480 2.494 20 0 CEADMP C[N@@H+](C[C@H](O)CC1CCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000354858254 529959495 /nfs/dbraw/zinc/95/94/95/529959495.db2.gz SKFREKWDFBKHPJ-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+](C[C@H](O)CC1CCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000354858254 529959496 /nfs/dbraw/zinc/95/94/96/529959496.db2.gz SKFREKWDFBKHPJ-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+](C[C@H](O)CC1CCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000354858254 529959498 /nfs/dbraw/zinc/95/94/98/529959498.db2.gz SKFREKWDFBKHPJ-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](n2cccn2)C1 ZINC000351580147 219133708 /nfs/dbraw/zinc/13/37/08/219133708.db2.gz DBHSNFXMLQHKFE-CVEARBPZSA-N 2 1 276.428 2.394 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000351580147 219133709 /nfs/dbraw/zinc/13/37/09/219133709.db2.gz DBHSNFXMLQHKFE-CVEARBPZSA-N 2 1 276.428 2.394 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000351580147 219133711 /nfs/dbraw/zinc/13/37/11/219133711.db2.gz DBHSNFXMLQHKFE-CVEARBPZSA-N 2 1 276.428 2.394 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000092748122 344201726 /nfs/dbraw/zinc/20/17/26/344201726.db2.gz IEHJZDASWCKFTC-UKRRQHHQSA-N 2 1 295.402 2.108 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000105476929 344256417 /nfs/dbraw/zinc/25/64/17/344256417.db2.gz SPCFQTNIAUXEJX-UHFFFAOYSA-N 2 1 295.858 2.457 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cccc(F)c2F)CC1 ZINC000107712989 344261309 /nfs/dbraw/zinc/26/13/09/344261309.db2.gz YGBJTQYSNMYZFQ-UHFFFAOYSA-N 2 1 297.393 2.082 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc2ccccn12 ZINC000237566674 344602562 /nfs/dbraw/zinc/60/25/62/344602562.db2.gz XMTBSBAAMRJQLM-CYBMUJFWSA-N 2 1 283.379 2.265 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000248620006 344623930 /nfs/dbraw/zinc/62/39/30/344623930.db2.gz ZYEDCZOUJALXIH-HOTGVXAUSA-N 2 1 284.444 2.193 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000248620006 344623933 /nfs/dbraw/zinc/62/39/33/344623933.db2.gz ZYEDCZOUJALXIH-HOTGVXAUSA-N 2 1 284.444 2.193 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000248620006 344623936 /nfs/dbraw/zinc/62/39/36/344623936.db2.gz ZYEDCZOUJALXIH-HOTGVXAUSA-N 2 1 284.444 2.193 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000248620006 344623939 /nfs/dbraw/zinc/62/39/39/344623939.db2.gz ZYEDCZOUJALXIH-HOTGVXAUSA-N 2 1 284.444 2.193 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000250625648 344633846 /nfs/dbraw/zinc/63/38/46/344633846.db2.gz DSMPDBOWMZWPMH-ZIAGYGMSSA-N 2 1 278.396 2.276 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]([NH3+])C[C@H]2C)c1C ZINC000250882877 344634899 /nfs/dbraw/zinc/63/48/99/344634899.db2.gz WTWNZSDAPHYDJC-YPMHNXCESA-N 2 1 263.385 2.019 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccnc3ccccc23)CC[C@H]1[NH3+] ZINC000251618038 344637004 /nfs/dbraw/zinc/63/70/04/344637004.db2.gz DTZXIAHBYIMBRK-SWLSCSKDSA-N 2 1 255.365 2.404 20 0 CEADMP C[N@H+]1CCC[C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000252786884 344641755 /nfs/dbraw/zinc/64/17/55/344641755.db2.gz PYUCZJFQGCKPLJ-WQVCFCJDSA-N 2 1 259.397 2.063 20 0 CEADMP C[N@H+]1CCC[C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000252786883 344641838 /nfs/dbraw/zinc/64/18/38/344641838.db2.gz PYUCZJFQGCKPLJ-KCXAZCMYSA-N 2 1 259.397 2.063 20 0 CEADMP COC1(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CCCC1 ZINC000319234861 344750792 /nfs/dbraw/zinc/75/07/92/344750792.db2.gz VRIAKVVTHVSUIO-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP CCc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000310303343 344730511 /nfs/dbraw/zinc/73/05/11/344730511.db2.gz UXGFEAWMGDELBF-RYUDHWBXSA-N 2 1 250.411 2.352 20 0 CEADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(O)c1 ZINC000313919115 344743847 /nfs/dbraw/zinc/74/38/47/344743847.db2.gz APBYXZZHWGMYKQ-GFCCVEGCSA-N 2 1 259.353 2.409 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCCC1CCOCC1 ZINC000302301734 344703475 /nfs/dbraw/zinc/70/34/75/344703475.db2.gz ZSMDRMXTRXTGNR-DZGCQCFKSA-N 2 1 254.418 2.395 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@H]1CCCC[C@H]1O ZINC000328226339 344755195 /nfs/dbraw/zinc/75/51/95/344755195.db2.gz APPZCCXHKOILSE-IAGOWNOFSA-N 2 1 276.424 2.389 20 0 CEADMP Cc1ncc(C[NH2+]CCc2c[nH+]cn2C)n1-c1ccccc1 ZINC000401777751 344869619 /nfs/dbraw/zinc/86/96/19/344869619.db2.gz OKLLMDYQHWNKON-UHFFFAOYSA-N 2 1 295.390 2.247 20 0 CEADMP COc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccn1 ZINC000584665720 344975386 /nfs/dbraw/zinc/97/53/86/344975386.db2.gz YCYRLJIRJJXHNF-KBPBESRZSA-N 2 1 277.412 2.473 20 0 CEADMP CC(C)OC(=O)[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000590779341 345180039 /nfs/dbraw/zinc/18/00/39/345180039.db2.gz OCQXTFYSROUQNX-HIFRSBDPSA-N 2 1 284.444 2.283 20 0 CEADMP Cc1nnc([C@@H](C)N2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000590786125 345180609 /nfs/dbraw/zinc/18/06/09/345180609.db2.gz AQGXXKYUXJTKNB-GFCCVEGCSA-N 2 1 280.416 2.491 20 0 CEADMP Cc1nnc([C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000590786125 345180612 /nfs/dbraw/zinc/18/06/12/345180612.db2.gz AQGXXKYUXJTKNB-GFCCVEGCSA-N 2 1 280.416 2.491 20 0 CEADMP Cc1nnc([C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000590786125 345180614 /nfs/dbraw/zinc/18/06/14/345180614.db2.gz AQGXXKYUXJTKNB-GFCCVEGCSA-N 2 1 280.416 2.491 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000591282677 345237351 /nfs/dbraw/zinc/23/73/51/345237351.db2.gz MSAYKNJTKWPCDB-HNNXBMFYSA-N 2 1 288.391 2.238 20 0 CEADMP CCOC(=O)CC[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000592430210 345352721 /nfs/dbraw/zinc/35/27/21/345352721.db2.gz RCXSKGGLIOLCIV-GDBMZVCRSA-N 2 1 282.428 2.041 20 0 CEADMP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000592495549 345360269 /nfs/dbraw/zinc/36/02/69/345360269.db2.gz LTAQWVOEOJMNII-BPUTZDHNSA-N 2 1 294.439 2.040 20 0 CEADMP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000592495549 345360272 /nfs/dbraw/zinc/36/02/72/345360272.db2.gz LTAQWVOEOJMNII-BPUTZDHNSA-N 2 1 294.439 2.040 20 0 CEADMP CCn1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000093597421 232184402 /nfs/dbraw/zinc/18/44/02/232184402.db2.gz YVGHOAGBXMMJAF-INIZCTEOSA-N 2 1 290.455 2.438 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000093597421 232184405 /nfs/dbraw/zinc/18/44/05/232184405.db2.gz YVGHOAGBXMMJAF-INIZCTEOSA-N 2 1 290.455 2.438 20 0 CEADMP COC(=O)C1CCC([NH2+]CCC[N@@H+](C)CC(C)C)CC1 ZINC000593646913 345516507 /nfs/dbraw/zinc/51/65/07/345516507.db2.gz SZFIIPYDPLFMCK-UHFFFAOYSA-N 2 1 284.444 2.286 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000594956755 345715835 /nfs/dbraw/zinc/71/58/35/345715835.db2.gz MLUUAPPDWNTQGF-ZJIFWQFVSA-N 2 1 296.455 2.142 20 0 CEADMP C[NH+]1CCC([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC000595001336 345723930 /nfs/dbraw/zinc/72/39/30/345723930.db2.gz SINDRRHYRQYLDD-UHFFFAOYSA-N 2 1 282.428 2.182 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CSCCF)C1 ZINC000595020682 345729002 /nfs/dbraw/zinc/72/90/02/345729002.db2.gz ZDUYHYGRYRZUDP-STQMWFEESA-N 2 1 262.438 2.399 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000165116624 232263086 /nfs/dbraw/zinc/26/30/86/232263086.db2.gz LWWLRMNPRIKAKI-HNNXBMFYSA-N 2 1 295.471 2.134 20 0 CEADMP COC[C@@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000174081226 232288291 /nfs/dbraw/zinc/28/82/91/232288291.db2.gz JYZMEFKNCKITGJ-GFCCVEGCSA-N 2 1 295.427 2.128 20 0 CEADMP c1cn(-c2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)cc2)cn1 ZINC000335562884 212271912 /nfs/dbraw/zinc/27/19/12/212271912.db2.gz ZQMKOZYBIJMUMO-UHFFFAOYSA-N 2 1 282.391 2.200 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598981442 346441062 /nfs/dbraw/zinc/44/10/62/346441062.db2.gz PTKWKPSQLJRLML-STQMWFEESA-N 2 1 284.444 2.427 20 0 CEADMP C[C@@H](CSCCF)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000599071703 346455770 /nfs/dbraw/zinc/45/57/70/346455770.db2.gz SQLMRTPVJXMNBF-STQMWFEESA-N 2 1 262.438 2.399 20 0 CEADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000599314788 346497567 /nfs/dbraw/zinc/49/75/67/346497567.db2.gz WJWFZUCXTTWRQK-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP COCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000336796791 365821647 /nfs/dbraw/zinc/82/16/47/365821647.db2.gz VWSULBNZDWQRPZ-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC[C@H]1O ZINC000459432616 290147482 /nfs/dbraw/zinc/14/74/82/290147482.db2.gz SIGMFUCDMHXDRR-HZPDHXFCSA-N 2 1 266.429 2.144 20 0 CEADMP CC(C)n1ccnc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000336801852 365835576 /nfs/dbraw/zinc/83/55/76/365835576.db2.gz RNDJTXOSLQAAFT-UHFFFAOYSA-N 2 1 264.417 2.238 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000129480061 365862834 /nfs/dbraw/zinc/86/28/34/365862834.db2.gz BWOOAYZASLYNJY-ZFWWWQNUSA-N 2 1 262.397 2.310 20 0 CEADMP CCN(CCC[NH+]1CCCC1)Cc1[nH]ncc1C ZINC000356312367 370654750 /nfs/dbraw/zinc/65/47/50/370654750.db2.gz CGPIHVZEKOYRRX-UHFFFAOYSA-N 2 1 250.390 2.026 20 0 CEADMP COC(=O)c1csc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000602687962 347147023 /nfs/dbraw/zinc/14/70/23/347147023.db2.gz SDRJAJNZFAPAKA-LBPRGKRZSA-N 2 1 296.436 2.356 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)CC[N@H+]1C ZINC000129555259 365871904 /nfs/dbraw/zinc/87/19/04/365871904.db2.gz AIWMDKDRDKMWRX-NVXWUHKLSA-N 2 1 298.434 2.487 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000336822615 365874253 /nfs/dbraw/zinc/87/42/53/365874253.db2.gz MJADPAVRYMIMDC-MRXNPFEDSA-N 2 1 277.412 2.474 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000336822615 365874258 /nfs/dbraw/zinc/87/42/58/365874258.db2.gz MJADPAVRYMIMDC-MRXNPFEDSA-N 2 1 277.412 2.474 20 0 CEADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000602711833 347165045 /nfs/dbraw/zinc/16/50/45/347165045.db2.gz RKMTXXBLCOOWII-KKUMJFAQSA-N 2 1 284.444 2.425 20 0 CEADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000602711833 347165048 /nfs/dbraw/zinc/16/50/48/347165048.db2.gz RKMTXXBLCOOWII-KKUMJFAQSA-N 2 1 284.444 2.425 20 0 CEADMP CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000568310109 299137534 /nfs/dbraw/zinc/13/75/34/299137534.db2.gz KMBZGGZGJLDPTB-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@H](C(=O)OCC)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877332 347234728 /nfs/dbraw/zinc/23/47/28/347234728.db2.gz LPSWAPMQJCCCRL-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c(C)s1 ZINC000603434471 347369478 /nfs/dbraw/zinc/36/94/78/347369478.db2.gz QOGDCYRJAQGEPS-NEPJUHHUSA-N 2 1 282.409 2.059 20 0 CEADMP Cc1cnc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000336824566 365882854 /nfs/dbraw/zinc/88/28/54/365882854.db2.gz VFKCPRQMFXBOBM-UHFFFAOYSA-N 2 1 274.412 2.093 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000351849347 219225334 /nfs/dbraw/zinc/22/53/34/219225334.db2.gz GLLJOJJUIUKJKQ-RDJZCZTQSA-N 2 1 276.424 2.305 20 0 CEADMP C/C(Cl)=C/C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000528372144 313245843 /nfs/dbraw/zinc/24/58/43/313245843.db2.gz FQEDUHVIAQKZON-VEIWZVCTSA-N 2 1 274.836 2.154 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2cn3cccnc3n2)C[C@@H]1n1ccnc1 ZINC000129858907 365900011 /nfs/dbraw/zinc/90/00/11/365900011.db2.gz XQPFUAIWYIAXQF-HIFRSBDPSA-N 2 1 296.378 2.009 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cn3cccnc3n2)C[C@@H]1n1ccnc1 ZINC000129858907 365900020 /nfs/dbraw/zinc/90/00/20/365900020.db2.gz XQPFUAIWYIAXQF-HIFRSBDPSA-N 2 1 296.378 2.009 20 0 CEADMP CO[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CC[C@H]1C ZINC000299989095 539565985 /nfs/dbraw/zinc/56/59/85/539565985.db2.gz BZVYQLCQJCPWGU-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1noc(CCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000336835304 365903988 /nfs/dbraw/zinc/90/39/88/365903988.db2.gz ADHAOJUKBAOTHU-HNNXBMFYSA-N 2 1 292.427 2.118 20 0 CEADMP Cc1noc(CCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000336835304 365903993 /nfs/dbraw/zinc/90/39/93/365903993.db2.gz ADHAOJUKBAOTHU-HNNXBMFYSA-N 2 1 292.427 2.118 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000086595763 179310958 /nfs/dbraw/zinc/31/09/58/179310958.db2.gz PUJKVRCRTBIROQ-LLVKDONJSA-N 2 1 254.761 2.129 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000086595763 179310960 /nfs/dbraw/zinc/31/09/60/179310960.db2.gz PUJKVRCRTBIROQ-LLVKDONJSA-N 2 1 254.761 2.129 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000130392501 365951943 /nfs/dbraw/zinc/95/19/43/365951943.db2.gz KDTUDSVZIOZILN-YJBOKZPZSA-N 2 1 298.434 2.345 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339430580 215164721 /nfs/dbraw/zinc/16/47/21/215164721.db2.gz DHCDPGKXSMQQNM-INIZCTEOSA-N 2 1 282.428 2.138 20 0 CEADMP CCOC(=O)CCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339430580 215164723 /nfs/dbraw/zinc/16/47/23/215164723.db2.gz DHCDPGKXSMQQNM-INIZCTEOSA-N 2 1 282.428 2.138 20 0 CEADMP CCOC(=O)CCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339430580 215164726 /nfs/dbraw/zinc/16/47/26/215164726.db2.gz DHCDPGKXSMQQNM-INIZCTEOSA-N 2 1 282.428 2.138 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000532021734 313337739 /nfs/dbraw/zinc/33/77/39/313337739.db2.gz QPIJELOTHUMCBR-MRXNPFEDSA-N 2 1 268.445 2.465 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)CO)[C@@H]2CCC[C@H]21 ZINC000367615817 290217020 /nfs/dbraw/zinc/21/70/20/290217020.db2.gz MGKJPKQSEARGDU-SOUVJXGZSA-N 2 1 268.445 2.248 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)[C@@H]1CCCO1 ZINC000087266370 539631818 /nfs/dbraw/zinc/63/18/18/539631818.db2.gz LQONZFGCNBFGEK-ILXRZTDVSA-N 2 1 252.402 2.020 20 0 CEADMP C[NH+](C)CC(C)(C)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335907 349990739 /nfs/dbraw/zinc/99/07/39/349990739.db2.gz LHQOZDNHDQHFHZ-ZDUSSCGKSA-N 2 1 255.450 2.037 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335907 349990741 /nfs/dbraw/zinc/99/07/41/349990741.db2.gz LHQOZDNHDQHFHZ-ZDUSSCGKSA-N 3 1 255.450 2.037 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335907 349990744 /nfs/dbraw/zinc/99/07/44/349990744.db2.gz LHQOZDNHDQHFHZ-ZDUSSCGKSA-N 3 1 255.450 2.037 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623356325 349997502 /nfs/dbraw/zinc/99/75/02/349997502.db2.gz JDODUGQPFIZLPV-OCCSQVGLSA-N 2 1 276.428 2.260 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623356325 349997505 /nfs/dbraw/zinc/99/75/05/349997505.db2.gz JDODUGQPFIZLPV-OCCSQVGLSA-N 2 1 276.428 2.260 20 0 CEADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+](CC)CC ZINC000616995631 348602462 /nfs/dbraw/zinc/60/24/62/348602462.db2.gz VSWULWZMOAKKOS-GJZGRUSLSA-N 2 1 297.487 2.343 20 0 CEADMP CCC1(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCCC1 ZINC000617506350 348718584 /nfs/dbraw/zinc/71/85/84/348718584.db2.gz KLMWJSBKEVHKIY-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCC1(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCCC1 ZINC000617506350 348718586 /nfs/dbraw/zinc/71/85/86/348718586.db2.gz KLMWJSBKEVHKIY-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)CC(C)(C)C ZINC000617507450 348718672 /nfs/dbraw/zinc/71/86/72/348718672.db2.gz XEUYHHWBVJHLOS-GJZGRUSLSA-N 2 1 299.503 2.447 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)CC(C)(C)C ZINC000617507450 348718676 /nfs/dbraw/zinc/71/86/76/348718676.db2.gz XEUYHHWBVJHLOS-GJZGRUSLSA-N 2 1 299.503 2.447 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCCC[NH+]1CCCCC1 ZINC000339239683 539668409 /nfs/dbraw/zinc/66/84/09/539668409.db2.gz ZCPLNMNOZVLFAM-MRXNPFEDSA-N 2 1 295.471 2.243 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000088275769 539670369 /nfs/dbraw/zinc/67/03/69/539670369.db2.gz UEZFSDJQCJVQIC-CVEARBPZSA-N 2 1 297.487 2.378 20 0 CEADMP CCC(C)(CC)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000680997945 539703489 /nfs/dbraw/zinc/70/34/89/539703489.db2.gz LCSZFXCBYLCARV-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(C)(CC)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000680997945 539703494 /nfs/dbraw/zinc/70/34/94/539703494.db2.gz LCSZFXCBYLCARV-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400414931 233178490 /nfs/dbraw/zinc/17/84/90/233178490.db2.gz UVRVAOXPGKRSAK-WFASDCNBSA-N 2 1 250.361 2.407 20 0 CEADMP C[C@H](NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400459818 233179364 /nfs/dbraw/zinc/17/93/64/233179364.db2.gz RGRZVNXDCZSHFR-JQHSSLGASA-N 2 1 287.451 2.381 20 0 CEADMP CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c2ccccc21 ZINC000681090745 539719242 /nfs/dbraw/zinc/71/92/42/539719242.db2.gz QDNVXBNLMJMVLA-XJKSGUPXSA-N 2 1 289.423 2.414 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000618990638 349088701 /nfs/dbraw/zinc/08/87/01/349088701.db2.gz MNRSKLXZEQWVAM-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2(O)CCCCC2)CC1(C)C ZINC000623387816 350007342 /nfs/dbraw/zinc/00/73/42/350007342.db2.gz WLRJJGSSOVBBSE-CYBMUJFWSA-N 2 1 254.418 2.144 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)N1CCCC[C@H]1C ZINC000623395419 350008657 /nfs/dbraw/zinc/00/86/57/350008657.db2.gz KDNRVCKGTZFBGH-ILXRZTDVSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)N1CCCC[C@H]1C ZINC000623395419 350008659 /nfs/dbraw/zinc/00/86/59/350008659.db2.gz KDNRVCKGTZFBGH-ILXRZTDVSA-N 2 1 295.471 2.238 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(-n3cncn3)c2)CC1(C)C ZINC000623424325 350016636 /nfs/dbraw/zinc/01/66/36/350016636.db2.gz NELQQSRYVBPVBF-HNNXBMFYSA-N 2 1 299.422 2.230 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCOCC2CCOCC2)CC1(C)C ZINC000623427469 350017447 /nfs/dbraw/zinc/01/74/47/350017447.db2.gz AQWQGLRNHYLSFN-MRXNPFEDSA-N 2 1 298.471 2.282 20 0 CEADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623445321 350021778 /nfs/dbraw/zinc/02/17/78/350021778.db2.gz MCVWESKUFWUZBF-ILXRZTDVSA-N 2 1 267.461 2.178 20 0 CEADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623445321 350021782 /nfs/dbraw/zinc/02/17/82/350021782.db2.gz MCVWESKUFWUZBF-ILXRZTDVSA-N 2 1 267.461 2.178 20 0 CEADMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623445321 350021787 /nfs/dbraw/zinc/02/17/87/350021787.db2.gz MCVWESKUFWUZBF-ILXRZTDVSA-N 2 1 267.461 2.178 20 0 CEADMP C[N@H+]1CC[C@@H](NC[C@@H]2CCCC[NH+](C)C2)CC1(C)C ZINC000623657534 350077080 /nfs/dbraw/zinc/07/70/80/350077080.db2.gz TUEBRHQCVWEPLS-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@@H]2CCCC[N@H+](C)C2)CC1(C)C ZINC000623657534 350077083 /nfs/dbraw/zinc/07/70/83/350077083.db2.gz TUEBRHQCVWEPLS-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@@H]2CCCC[N@@H+](C)C2)CC1(C)C ZINC000623657534 350077088 /nfs/dbraw/zinc/07/70/88/350077088.db2.gz TUEBRHQCVWEPLS-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCC[NH+](C)C2)CC1(C)C ZINC000623657534 350077093 /nfs/dbraw/zinc/07/70/93/350077093.db2.gz TUEBRHQCVWEPLS-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCC[NH+](C)C2)CC1(C)C ZINC000623657534 350077098 /nfs/dbraw/zinc/07/70/98/350077098.db2.gz TUEBRHQCVWEPLS-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC1(C)C ZINC000623657534 350077103 /nfs/dbraw/zinc/07/71/03/350077103.db2.gz TUEBRHQCVWEPLS-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1(C)C ZINC000623657534 350077106 /nfs/dbraw/zinc/07/71/06/350077106.db2.gz TUEBRHQCVWEPLS-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](O)C(C)C ZINC000623550738 350048423 /nfs/dbraw/zinc/04/84/23/350048423.db2.gz ZWCKTSOZNJMZDW-MELADBBJSA-N 2 1 256.434 2.244 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2ccccc2[C@H]1CO ZINC000271215410 191008059 /nfs/dbraw/zinc/00/80/59/191008059.db2.gz IMVJALCOYQSXDW-DOTOQJQBSA-N 2 1 274.408 2.062 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2ccccc2[C@H]1CO ZINC000271215410 191008062 /nfs/dbraw/zinc/00/80/62/191008062.db2.gz IMVJALCOYQSXDW-DOTOQJQBSA-N 2 1 274.408 2.062 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000271215410 191008063 /nfs/dbraw/zinc/00/80/63/191008063.db2.gz IMVJALCOYQSXDW-DOTOQJQBSA-N 2 1 274.408 2.062 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2ccccc2[C@H]1CO ZINC000271215410 191008066 /nfs/dbraw/zinc/00/80/66/191008066.db2.gz IMVJALCOYQSXDW-DOTOQJQBSA-N 2 1 274.408 2.062 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CC(N)=O)CCCCC2)CC1(C)C ZINC000623574668 350055019 /nfs/dbraw/zinc/05/50/19/350055019.db2.gz TYICNEIXKBSLON-CQSZACIVSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000623748658 350100481 /nfs/dbraw/zinc/10/04/81/350100481.db2.gz BRJDYYYCEGYKDY-BGTYHANMSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000623748658 350100485 /nfs/dbraw/zinc/10/04/85/350100485.db2.gz BRJDYYYCEGYKDY-BGTYHANMSA-N 2 1 288.435 2.400 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000090846397 180044655 /nfs/dbraw/zinc/04/46/55/180044655.db2.gz VKRONKAMWMEBPV-XEZPLFJOSA-N 2 1 292.471 2.363 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000090846397 180044656 /nfs/dbraw/zinc/04/46/56/180044656.db2.gz VKRONKAMWMEBPV-XEZPLFJOSA-N 2 1 292.471 2.363 20 0 CEADMP COCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000090720318 180030225 /nfs/dbraw/zinc/03/02/25/180030225.db2.gz DWELDIRVERAANM-XJKSGUPXSA-N 2 1 262.397 2.405 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cn1 ZINC000624121576 350200298 /nfs/dbraw/zinc/20/02/98/350200298.db2.gz YGYZFTSCHYSPML-KGLIPLIRSA-N 2 1 264.417 2.286 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000624121576 350200303 /nfs/dbraw/zinc/20/03/03/350200303.db2.gz YGYZFTSCHYSPML-KGLIPLIRSA-N 2 1 264.417 2.286 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Oc2ccccn2)C1 ZINC000271310231 191066165 /nfs/dbraw/zinc/06/61/65/191066165.db2.gz QXGUWAXIXQFQGW-GJZGRUSLSA-N 2 1 275.396 2.019 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Oc2ccccn2)C1 ZINC000271310231 191066168 /nfs/dbraw/zinc/06/61/68/191066168.db2.gz QXGUWAXIXQFQGW-GJZGRUSLSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000271310231 191066171 /nfs/dbraw/zinc/06/61/71/191066171.db2.gz QXGUWAXIXQFQGW-GJZGRUSLSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000271310231 191066174 /nfs/dbraw/zinc/06/61/74/191066174.db2.gz QXGUWAXIXQFQGW-GJZGRUSLSA-N 2 1 275.396 2.019 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000624120795 350199144 /nfs/dbraw/zinc/19/91/44/350199144.db2.gz HAQQFSZGBQSAMV-LSDHHAIUSA-N 3 1 267.461 2.038 20 0 CEADMP C[N@H+]1CC[C@@H](NC[C@H]2CCCC[NH+](C)C2)[C@@H]2CCC[C@H]21 ZINC000624124193 350201230 /nfs/dbraw/zinc/20/12/30/350201230.db2.gz ZSMDJPDIIBNAAG-YYIAUSFCSA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@H]2CCCC[N@H+](C)C2)[C@@H]2CCC[C@H]21 ZINC000624124193 350201232 /nfs/dbraw/zinc/20/12/32/350201232.db2.gz ZSMDJPDIIBNAAG-YYIAUSFCSA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@H]2CCCC[N@@H+](C)C2)[C@@H]2CCC[C@H]21 ZINC000624124193 350201233 /nfs/dbraw/zinc/20/12/33/350201233.db2.gz ZSMDJPDIIBNAAG-YYIAUSFCSA-N 2 1 279.472 2.181 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)[C@@H]2CCC[C@H]21 ZINC000624124193 350201234 /nfs/dbraw/zinc/20/12/34/350201234.db2.gz ZSMDJPDIIBNAAG-YYIAUSFCSA-N 3 1 279.472 2.181 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)[C@@H]2CCC[C@H]21 ZINC000624124193 350201236 /nfs/dbraw/zinc/20/12/36/350201236.db2.gz ZSMDJPDIIBNAAG-YYIAUSFCSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)[C@@H]2CCC[C@H]21 ZINC000624124193 350201237 /nfs/dbraw/zinc/20/12/37/350201237.db2.gz ZSMDJPDIIBNAAG-YYIAUSFCSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@@H]2CCC[C@H]21 ZINC000624124193 350201239 /nfs/dbraw/zinc/20/12/39/350201239.db2.gz ZSMDJPDIIBNAAG-YYIAUSFCSA-N 3 1 279.472 2.181 20 0 CEADMP C[N@@H+](CC(=O)Nc1ccccc1Cl)C1CCC([NH3+])CC1 ZINC000091846456 180270136 /nfs/dbraw/zinc/27/01/36/180270136.db2.gz RAJHLRKUEDJOBY-UHFFFAOYSA-N 2 1 295.814 2.480 20 0 CEADMP Cc1ccc(C)c(NC(=O)C[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000091846315 180270516 /nfs/dbraw/zinc/27/05/16/180270516.db2.gz OZMSHQAFGXAWDO-UHFFFAOYSA-N 2 1 289.423 2.444 20 0 CEADMP C[N@@H+](Cc1nc(-c2ccsc2)no1)C1CCC([NH3+])CC1 ZINC000091847096 180270556 /nfs/dbraw/zinc/27/05/56/180270556.db2.gz PSEILTYKTGOCPB-UHFFFAOYSA-N 2 1 292.408 2.500 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CC1 ZINC000625221595 350434504 /nfs/dbraw/zinc/43/45/04/350434504.db2.gz BFBIZFRGZNNAFP-ARFHVFGLSA-N 2 1 266.429 2.218 20 0 CEADMP CCO[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000625221595 350434507 /nfs/dbraw/zinc/43/45/07/350434507.db2.gz BFBIZFRGZNNAFP-ARFHVFGLSA-N 2 1 266.429 2.218 20 0 CEADMP CCO[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1CC1 ZINC000625221595 350434510 /nfs/dbraw/zinc/43/45/10/350434510.db2.gz BFBIZFRGZNNAFP-ARFHVFGLSA-N 2 1 266.429 2.218 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000092366805 180368848 /nfs/dbraw/zinc/36/88/48/180368848.db2.gz ALCVUAPRENHOSY-NSHDSACASA-N 2 1 253.777 2.296 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)n[nH]c2C)[C@H](C)C1 ZINC000130491818 365961946 /nfs/dbraw/zinc/96/19/46/365961946.db2.gz NLAZHIMOCHBTAW-ABAIWWIYSA-N 2 1 264.417 2.189 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)n[nH]c2C)[C@H](C)C1 ZINC000130491818 365961949 /nfs/dbraw/zinc/96/19/49/365961949.db2.gz NLAZHIMOCHBTAW-ABAIWWIYSA-N 2 1 264.417 2.189 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)n[nH]c2C)[C@H](C)C1 ZINC000130491818 365961954 /nfs/dbraw/zinc/96/19/54/365961954.db2.gz NLAZHIMOCHBTAW-ABAIWWIYSA-N 2 1 264.417 2.189 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)n[nH]c2C)[C@H](C)C1 ZINC000130491818 365961959 /nfs/dbraw/zinc/96/19/59/365961959.db2.gz NLAZHIMOCHBTAW-ABAIWWIYSA-N 2 1 264.417 2.189 20 0 CEADMP CN(CCC[N@@H+](C)CC1CC(C)(C)C1)CC[NH+](C)C ZINC000625431354 350495788 /nfs/dbraw/zinc/49/57/88/350495788.db2.gz DIJQCCOJFXRZPB-UHFFFAOYSA-N 2 1 269.477 2.238 20 0 CEADMP COc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000110116918 186286525 /nfs/dbraw/zinc/28/65/25/186286525.db2.gz FHJFSEYMFNONQT-UHFFFAOYSA-N 2 1 262.397 2.469 20 0 CEADMP C[N@@H+](CCCC1CC[NH2+]CC1)CC1CCOCC1 ZINC000111179364 186366246 /nfs/dbraw/zinc/36/62/46/186366246.db2.gz YZBMVNQYKZEZQV-UHFFFAOYSA-N 2 1 254.418 2.125 20 0 CEADMP CCCN(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000568996431 299174004 /nfs/dbraw/zinc/17/40/04/299174004.db2.gz AKMGZTQSNJIFSF-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+](Cc1cccc2n[nH]cc21)C[C@@H]1CCC[NH+](C)C1 ZINC000628140375 350975209 /nfs/dbraw/zinc/97/52/09/350975209.db2.gz IQLXKAXFIZUTEH-CYBMUJFWSA-N 2 1 272.396 2.337 20 0 CEADMP C[NH+](Cc1cccc2n[nH]cc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000628140375 350975213 /nfs/dbraw/zinc/97/52/13/350975213.db2.gz IQLXKAXFIZUTEH-CYBMUJFWSA-N 2 1 272.396 2.337 20 0 CEADMP C[NH+](Cc1cccc2n[nH]cc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000628140375 350975216 /nfs/dbraw/zinc/97/52/16/350975216.db2.gz IQLXKAXFIZUTEH-CYBMUJFWSA-N 2 1 272.396 2.337 20 0 CEADMP C[N@H+](Cc1cccc2n[nH]cc21)C[C@H]1CCC[NH+](C)C1 ZINC000628140376 350975679 /nfs/dbraw/zinc/97/56/79/350975679.db2.gz IQLXKAXFIZUTEH-ZDUSSCGKSA-N 2 1 272.396 2.337 20 0 CEADMP C[NH+](Cc1cccc2n[nH]cc21)C[C@H]1CCC[N@H+](C)C1 ZINC000628140376 350975682 /nfs/dbraw/zinc/97/56/82/350975682.db2.gz IQLXKAXFIZUTEH-ZDUSSCGKSA-N 2 1 272.396 2.337 20 0 CEADMP C[NH+](Cc1cccc2n[nH]cc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000628140376 350975687 /nfs/dbraw/zinc/97/56/87/350975687.db2.gz IQLXKAXFIZUTEH-ZDUSSCGKSA-N 2 1 272.396 2.337 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000629545143 351405941 /nfs/dbraw/zinc/40/59/41/351405941.db2.gz CBTBDJLJBCAFQF-OSMBCOQSSA-N 2 1 274.408 2.102 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2CC)C12CCCC2 ZINC000629527416 351391154 /nfs/dbraw/zinc/39/11/54/351391154.db2.gz VIQHKQBNYKGYNG-LJISPDSOSA-N 2 1 266.429 2.454 20 0 CEADMP C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629545784 351406139 /nfs/dbraw/zinc/40/61/39/351406139.db2.gz RDBUVEZAMMQBCA-CYGHRXIMSA-N 2 1 287.451 2.237 20 0 CEADMP COc1ccncc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000629532360 351396173 /nfs/dbraw/zinc/39/61/73/351396173.db2.gz WRPJGOSMGSKQGU-LSDHHAIUSA-N 2 1 289.423 2.302 20 0 CEADMP CCO[C@H](C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000629533801 351396867 /nfs/dbraw/zinc/39/68/67/351396867.db2.gz WLQPZCYNKXEZAX-HRCADAONSA-N 2 1 266.429 2.408 20 0 CEADMP CCO[C@H](C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000629533801 351396872 /nfs/dbraw/zinc/39/68/72/351396872.db2.gz WLQPZCYNKXEZAX-HRCADAONSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C[NH2+]1 ZINC000629541759 351402600 /nfs/dbraw/zinc/40/26/00/351402600.db2.gz VGUATHWHMVPWHM-LJIZCISZSA-N 2 1 266.429 2.312 20 0 CEADMP CCCOc1cccc(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000629387742 351346340 /nfs/dbraw/zinc/34/63/40/351346340.db2.gz JXXRTABPSDLKBQ-UHFFFAOYSA-N 2 1 278.396 2.073 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1OC ZINC000629394890 351349677 /nfs/dbraw/zinc/34/96/77/351349677.db2.gz NIPHXDXQATYOBB-VNHYZAJKSA-N 2 1 292.423 2.365 20 0 CEADMP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542930 351404175 /nfs/dbraw/zinc/40/41/75/351404175.db2.gz PMZPESNHKJZQCS-DYEKYZERSA-N 2 1 250.361 2.487 20 0 CEADMP [NH3+]CCC[N@H+](CC1=CCCOC1)CC1CCCC1 ZINC000629652335 351450080 /nfs/dbraw/zinc/45/00/80/351450080.db2.gz AEZIJAONJDHMBL-UHFFFAOYSA-N 2 1 252.402 2.174 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000629653645 351450637 /nfs/dbraw/zinc/45/06/37/351450637.db2.gz KYMCILBOGRYPPE-UHFFFAOYSA-N 2 1 274.767 2.147 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000629653645 351450642 /nfs/dbraw/zinc/45/06/42/351450642.db2.gz KYMCILBOGRYPPE-UHFFFAOYSA-N 2 1 274.767 2.147 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1cscc1Cl ZINC000629655440 351451661 /nfs/dbraw/zinc/45/16/61/351451661.db2.gz WVUZZTXYALVWCU-UHFFFAOYSA-N 2 1 262.806 2.069 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cscc1Cl ZINC000629655440 351451665 /nfs/dbraw/zinc/45/16/65/351451665.db2.gz WVUZZTXYALVWCU-UHFFFAOYSA-N 2 1 262.806 2.069 20 0 CEADMP CCCc1cccc(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000629654632 351451887 /nfs/dbraw/zinc/45/18/87/351451887.db2.gz OECZSVUWTHRBHZ-UHFFFAOYSA-N 2 1 262.397 2.237 20 0 CEADMP Cc1cc(Cl)ccc1C[N@@H+](C)CCOCC[NH3+] ZINC000629662220 351455308 /nfs/dbraw/zinc/45/53/08/351455308.db2.gz DMOGMYINVBFXLI-UHFFFAOYSA-N 2 1 256.777 2.056 20 0 CEADMP Cc1ccc(CCC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cn1 ZINC000629668772 351458880 /nfs/dbraw/zinc/45/88/80/351458880.db2.gz UJOBPPMHWSNXMY-CALCHBBNSA-N 2 1 273.424 2.254 20 0 CEADMP CC(C)OCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565378 351417203 /nfs/dbraw/zinc/41/72/03/351417203.db2.gz WKZVBTHFMYDMHH-VXGBXAGGSA-N 2 1 282.350 2.261 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000629570659 351418914 /nfs/dbraw/zinc/41/89/14/351418914.db2.gz FSTNJYFDNBTFOF-INIZCTEOSA-N 2 1 262.397 2.232 20 0 CEADMP CCc1nc(C(C)C)ccc1C[N@@H+](C)CCOCC[NH2+]C ZINC000629571775 351418955 /nfs/dbraw/zinc/41/89/55/351418955.db2.gz ISKLCMLFJQITGQ-UHFFFAOYSA-N 2 1 293.455 2.435 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C)cc1Cl ZINC000629572234 351419746 /nfs/dbraw/zinc/41/97/46/351419746.db2.gz PDFFRGHZZBLUGN-UHFFFAOYSA-N 2 1 270.804 2.316 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C)cc1Cl ZINC000629572234 351419750 /nfs/dbraw/zinc/41/97/50/351419750.db2.gz PDFFRGHZZBLUGN-UHFFFAOYSA-N 2 1 270.804 2.316 20 0 CEADMP COc1cccc2c1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000629582271 351423372 /nfs/dbraw/zinc/42/33/72/351423372.db2.gz QSPUVRVZZXNZKU-CYBMUJFWSA-N 2 1 260.381 2.401 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584987 351424231 /nfs/dbraw/zinc/42/42/31/351424231.db2.gz IQHUFUYOAOIKTP-CALCHBBNSA-N 2 1 273.424 2.184 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584987 351424236 /nfs/dbraw/zinc/42/42/36/351424236.db2.gz IQHUFUYOAOIKTP-CALCHBBNSA-N 2 1 273.424 2.184 20 0 CEADMP COc1ccc(OCC[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000070150135 363037947 /nfs/dbraw/zinc/03/79/47/363037947.db2.gz FXMPRPGQAVYWTK-CQSZACIVSA-N 2 1 278.396 2.277 20 0 CEADMP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070171014 363044800 /nfs/dbraw/zinc/04/48/00/363044800.db2.gz NDIOBCHMBZEPGH-OAHLLOKOSA-N 2 1 290.407 2.329 20 0 CEADMP COc1ccc(OC)c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000070148615 363036337 /nfs/dbraw/zinc/03/63/37/363036337.db2.gz SKAVMHSVWSRFOK-CQSZACIVSA-N 2 1 278.396 2.407 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000070148615 363036338 /nfs/dbraw/zinc/03/63/38/363036338.db2.gz SKAVMHSVWSRFOK-CQSZACIVSA-N 2 1 278.396 2.407 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH+](C)C2CCC2)C1 ZINC000629951440 351549910 /nfs/dbraw/zinc/54/99/10/351549910.db2.gz GTJVSDBCGQWFEP-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC000629951440 351549912 /nfs/dbraw/zinc/54/99/12/351549912.db2.gz GTJVSDBCGQWFEP-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC000629951440 351549914 /nfs/dbraw/zinc/54/99/14/351549914.db2.gz GTJVSDBCGQWFEP-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]cc(CN2CCC(C)([NH+]3CCCC3)CC2)n1C ZINC000630073953 351603297 /nfs/dbraw/zinc/60/32/97/351603297.db2.gz ZFBMGUIFBDHENX-UHFFFAOYSA-N 2 1 276.428 2.179 20 0 CEADMP CC[C@H]([NH2+]CCC[NH+](CC)CC)c1cnn(C)c1 ZINC000131394789 366049513 /nfs/dbraw/zinc/04/95/13/366049513.db2.gz YPNBWUGRNRZFMN-AWEZNQCLSA-N 2 1 252.406 2.193 20 0 CEADMP CO[C@@H]1CN(c2cc[nH+]c3ccsc32)[C@@](C)(C[NH3+])C1 ZINC000630375231 351715758 /nfs/dbraw/zinc/71/57/58/351715758.db2.gz OUWLPBOOWXUVFY-IINYFYTJSA-N 2 1 277.393 2.239 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccccc1Cl ZINC000131703020 366079799 /nfs/dbraw/zinc/07/97/99/366079799.db2.gz MFFFNOQQPPFRHM-NWDGAFQWSA-N 2 1 268.788 2.388 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccccc1Cl ZINC000131703020 366079801 /nfs/dbraw/zinc/07/98/01/366079801.db2.gz MFFFNOQQPPFRHM-NWDGAFQWSA-N 2 1 268.788 2.388 20 0 CEADMP COCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000124100450 187122038 /nfs/dbraw/zinc/12/20/38/187122038.db2.gz UWBWBTIIHCKPND-OAHLLOKOSA-N 2 1 292.423 2.033 20 0 CEADMP C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCCn1ccnc1 ZINC000124258114 187128494 /nfs/dbraw/zinc/12/84/94/187128494.db2.gz YEQQUIHZXXLUAX-HUUCEWRRSA-N 2 1 265.401 2.289 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCOCC(F)(F)F)CC[N@@H+]1C ZINC000123414833 187090754 /nfs/dbraw/zinc/09/07/54/187090754.db2.gz LSVFCUTYSWBURE-VXGBXAGGSA-N 2 1 282.350 2.370 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCOCC(F)(F)F)CC[N@H+]1C ZINC000123414833 187090755 /nfs/dbraw/zinc/09/07/55/187090755.db2.gz LSVFCUTYSWBURE-VXGBXAGGSA-N 2 1 282.350 2.370 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCCOCC(F)(F)F)CC[NH+]1C ZINC000123414833 187090756 /nfs/dbraw/zinc/09/07/56/187090756.db2.gz LSVFCUTYSWBURE-VXGBXAGGSA-N 2 1 282.350 2.370 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCCOCC(F)(F)F)CC[NH+]1C ZINC000123414833 187090757 /nfs/dbraw/zinc/09/07/57/187090757.db2.gz LSVFCUTYSWBURE-VXGBXAGGSA-N 2 1 282.350 2.370 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCCOCC(F)(F)F)CC[N@@H+]1C ZINC000123415055 187090946 /nfs/dbraw/zinc/09/09/46/187090946.db2.gz LSVFCUTYSWBURE-NWDGAFQWSA-N 2 1 282.350 2.370 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCCOCC(F)(F)F)CC[N@H+]1C ZINC000123415055 187090947 /nfs/dbraw/zinc/09/09/47/187090947.db2.gz LSVFCUTYSWBURE-NWDGAFQWSA-N 2 1 282.350 2.370 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CCCOCC(F)(F)F)CC[NH+]1C ZINC000123415055 187090948 /nfs/dbraw/zinc/09/09/48/187090948.db2.gz LSVFCUTYSWBURE-NWDGAFQWSA-N 2 1 282.350 2.370 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCCOCC(F)(F)F)CC[NH+]1C ZINC000123415055 187090949 /nfs/dbraw/zinc/09/09/49/187090949.db2.gz LSVFCUTYSWBURE-NWDGAFQWSA-N 2 1 282.350 2.370 20 0 CEADMP Cc1ncsc1CC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123715528 187106039 /nfs/dbraw/zinc/10/60/39/187106039.db2.gz DOJFEIRHDWUEAQ-GFCCVEGCSA-N 2 1 255.431 2.299 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2Cc3ccccc3O2)CC[N@H+]1C ZINC000123812856 187109913 /nfs/dbraw/zinc/10/99/13/187109913.db2.gz HMXBCPMCCHXHJK-SNPRPXQTSA-N 2 1 260.381 2.062 20 0 CEADMP CCOC(=O)CCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123868858 187112231 /nfs/dbraw/zinc/11/22/31/187112231.db2.gz XHZMPBYTJKYYFO-ZIAGYGMSSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123868858 187112232 /nfs/dbraw/zinc/11/22/32/187112232.db2.gz XHZMPBYTJKYYFO-ZIAGYGMSSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123868858 187112233 /nfs/dbraw/zinc/11/22/33/187112233.db2.gz XHZMPBYTJKYYFO-ZIAGYGMSSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123868858 187112234 /nfs/dbraw/zinc/11/22/34/187112234.db2.gz XHZMPBYTJKYYFO-ZIAGYGMSSA-N 2 1 270.417 2.134 20 0 CEADMP C[N@H+]1CCC[C@@H](CNCc2ccncc2Br)C1 ZINC000631068270 351947265 /nfs/dbraw/zinc/94/72/65/351947265.db2.gz GXOCPYWWVDELJJ-NSHDSACASA-N 2 1 298.228 2.276 20 0 CEADMP COCC[N@H+](C)CCC[NH2+]Cc1ccc(C)cc1F ZINC000631040694 351934270 /nfs/dbraw/zinc/93/42/70/351934270.db2.gz KQOFLOYYOYGJAS-UHFFFAOYSA-N 2 1 268.376 2.192 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(C)cc1F ZINC000631040694 351934273 /nfs/dbraw/zinc/93/42/73/351934273.db2.gz KQOFLOYYOYGJAS-UHFFFAOYSA-N 2 1 268.376 2.192 20 0 CEADMP COCC[N@H+](C)CCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631041843 351934788 /nfs/dbraw/zinc/93/47/88/351934788.db2.gz UJYQZCNSTSMKBW-UHFFFAOYSA-N 2 1 287.354 2.077 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631041843 351934791 /nfs/dbraw/zinc/93/47/91/351934791.db2.gz UJYQZCNSTSMKBW-UHFFFAOYSA-N 2 1 287.354 2.077 20 0 CEADMP Cc1cc(C)c(/C=C\C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC000631111990 351968988 /nfs/dbraw/zinc/96/89/88/351968988.db2.gz NLGBKUAKYWBYGL-XFHJGTJQSA-N 2 1 288.435 2.281 20 0 CEADMP Cc1cc(C)c(/C=C\C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000631111990 351968991 /nfs/dbraw/zinc/96/89/91/351968991.db2.gz NLGBKUAKYWBYGL-XFHJGTJQSA-N 2 1 288.435 2.281 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC1([NH3+])CCC1 ZINC000237668371 539862561 /nfs/dbraw/zinc/86/25/61/539862561.db2.gz JPTWFSSTWZQAMU-CQSZACIVSA-N 2 1 281.444 2.029 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(O)(CC)CC2)[C@H](C)C1 ZINC000678549459 539879959 /nfs/dbraw/zinc/87/99/59/539879959.db2.gz WLGDFAMNJNGUQA-CIDNJEQPSA-N 2 1 268.445 2.390 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000336470293 213338779 /nfs/dbraw/zinc/33/87/79/213338779.db2.gz SCIZWJMVBCKQAS-BBRMVZONSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000336470293 213338781 /nfs/dbraw/zinc/33/87/81/213338781.db2.gz SCIZWJMVBCKQAS-BBRMVZONSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1noc(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000336470293 213338785 /nfs/dbraw/zinc/33/87/85/213338785.db2.gz SCIZWJMVBCKQAS-BBRMVZONSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1noc(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000336470293 213338786 /nfs/dbraw/zinc/33/87/86/213338786.db2.gz SCIZWJMVBCKQAS-BBRMVZONSA-N 2 1 277.412 2.462 20 0 CEADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2F)CC[C@H]1[NH3+] ZINC000251552008 539977452 /nfs/dbraw/zinc/97/74/52/539977452.db2.gz BDMIKFVMUMUKOK-GXTWGEPZSA-N 2 1 293.386 2.214 20 0 CEADMP COc1ccc(OC)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000154699543 188157578 /nfs/dbraw/zinc/15/75/78/188157578.db2.gz FLLNMOGYXADRCC-UHFFFAOYSA-N 2 1 292.423 2.477 20 0 CEADMP CCc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)o1 ZINC000155144197 188186653 /nfs/dbraw/zinc/18/66/53/188186653.db2.gz GHXHZRRICMDBFP-UONOGXRCSA-N 2 1 279.428 2.129 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCCO)CCN1Cc1ccccc1 ZINC000156923553 188287549 /nfs/dbraw/zinc/28/75/49/188287549.db2.gz ATWFBYMTOQEELI-DOTOQJQBSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCCO)CC[N@@H+]1Cc1ccccc1 ZINC000156923553 188287550 /nfs/dbraw/zinc/28/75/50/188287550.db2.gz ATWFBYMTOQEELI-DOTOQJQBSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCCO)CC[N@H+]1Cc1ccccc1 ZINC000156923553 188287552 /nfs/dbraw/zinc/28/75/52/188287552.db2.gz ATWFBYMTOQEELI-DOTOQJQBSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CCCO)CC[NH+]1Cc1ccccc1 ZINC000156923553 188287553 /nfs/dbraw/zinc/28/75/53/188287553.db2.gz ATWFBYMTOQEELI-DOTOQJQBSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCCO)CC[NH+]1Cc1ccccc1 ZINC000156923553 188287555 /nfs/dbraw/zinc/28/75/55/188287555.db2.gz ATWFBYMTOQEELI-DOTOQJQBSA-N 2 1 276.424 2.354 20 0 CEADMP [NH3+]CCCCCCC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000295181822 199391416 /nfs/dbraw/zinc/39/14/16/199391416.db2.gz MSUQEQSTHYIQOZ-UHFFFAOYSA-N 2 1 275.396 2.032 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H](C)C1 ZINC000252215807 540002299 /nfs/dbraw/zinc/00/22/99/540002299.db2.gz XQJQXLAEKYMMAY-JHNDHUHGSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000494926607 291005798 /nfs/dbraw/zinc/00/57/98/291005798.db2.gz UVPWJIGWGAVJSI-KGLIPLIRSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000494926607 291005799 /nfs/dbraw/zinc/00/57/99/291005799.db2.gz UVPWJIGWGAVJSI-KGLIPLIRSA-N 2 1 295.471 2.144 20 0 CEADMP CC[N@H+]1CC[C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000132014060 366110140 /nfs/dbraw/zinc/11/01/40/366110140.db2.gz PCRJVADIPKOMES-UHOFOFEASA-N 2 1 259.397 2.063 20 0 CEADMP COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132129015 366119790 /nfs/dbraw/zinc/11/97/90/366119790.db2.gz XDWMXHYMMSRKEK-NEPJUHHUSA-N 2 1 266.360 2.485 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000495044443 291012987 /nfs/dbraw/zinc/01/29/87/291012987.db2.gz JTPRSVNVRVCWEZ-LMSBXDPUSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000495044443 291012990 /nfs/dbraw/zinc/01/29/90/291012990.db2.gz JTPRSVNVRVCWEZ-LMSBXDPUSA-N 2 1 288.435 2.258 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000132363781 366139250 /nfs/dbraw/zinc/13/92/50/366139250.db2.gz IUOPRKICFVYIPZ-OLZOCXBDSA-N 2 1 278.396 2.181 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C[C@H]1C[NH3+] ZINC000253235755 540016911 /nfs/dbraw/zinc/01/69/11/540016911.db2.gz MWHLLPDPIFZZCJ-RBSFLKMASA-N 2 1 274.408 2.469 20 0 CEADMP Fc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CO2 ZINC000290456727 283000239 /nfs/dbraw/zinc/00/02/39/283000239.db2.gz WGWFERTYNGHKGN-PMPSAXMXSA-N 2 1 290.382 2.346 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451485813 283005965 /nfs/dbraw/zinc/00/59/65/283005965.db2.gz BYLODNZPLRILCP-TUVASFSCSA-N 2 1 264.413 2.018 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000495240349 291027238 /nfs/dbraw/zinc/02/72/38/291027238.db2.gz MNHACNWXJDAPDS-ZBFHGGJFSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000495240349 291027239 /nfs/dbraw/zinc/02/72/39/291027239.db2.gz MNHACNWXJDAPDS-ZBFHGGJFSA-N 2 1 279.428 2.455 20 0 CEADMP CC[N@H+]1CC[C@H](NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000133040308 366190192 /nfs/dbraw/zinc/19/01/92/366190192.db2.gz PFOFOKOTXMLRKI-ZBFHGGJFSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](C)CCN(C)c2ccccc2)CC[NH2+]1 ZINC000414689184 291054883 /nfs/dbraw/zinc/05/48/83/291054883.db2.gz FLZVJOLQJSDGSB-HOTGVXAUSA-N 2 1 275.440 2.443 20 0 CEADMP COc1ccc(OC)c(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000271773288 191316407 /nfs/dbraw/zinc/31/64/07/191316407.db2.gz BVXQXEYOWNAYOH-UHFFFAOYSA-N 2 1 276.380 2.055 20 0 CEADMP c1cc(C[NH+]2CCN(C3CCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000378722581 540110965 /nfs/dbraw/zinc/11/09/65/540110965.db2.gz RLXVRHCWWNFJIA-UHFFFAOYSA-N 2 1 285.435 2.002 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000271811298 191340714 /nfs/dbraw/zinc/34/07/14/191340714.db2.gz KWYHFIGLJPKRTF-UHFFFAOYSA-N 2 1 252.308 2.316 20 0 CEADMP CN(C)C(=O)OC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000495665114 291062709 /nfs/dbraw/zinc/06/27/09/291062709.db2.gz RDIULGULONAOCB-UHFFFAOYSA-N 2 1 297.443 2.025 20 0 CEADMP COC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271856696 191371544 /nfs/dbraw/zinc/37/15/44/191371544.db2.gz XPHSEYIFZJKAJF-GDBMZVCRSA-N 2 1 290.407 2.050 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CCOc2ccccc21 ZINC000162082316 540147098 /nfs/dbraw/zinc/14/70/98/540147098.db2.gz ITLAGWCGUYINJV-MCIONIFRSA-N 2 1 260.381 2.222 20 0 CEADMP Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000383672862 540193430 /nfs/dbraw/zinc/19/34/30/540193430.db2.gz MJIQOXDGLBJPSZ-AAEUAGOBSA-N 2 1 251.399 2.012 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@@H]2CCC[C@H]21 ZINC000367596972 283134677 /nfs/dbraw/zinc/13/46/77/283134677.db2.gz KVNUZCZVEGPPAJ-OKZBNKHCSA-N 3 1 291.483 2.323 20 0 CEADMP CN1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@@H]2CCC[C@H]21 ZINC000367596972 283134679 /nfs/dbraw/zinc/13/46/79/283134679.db2.gz KVNUZCZVEGPPAJ-OKZBNKHCSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@H]1C[C@@H](NCC[NH+]2CCCCCC2)C[N@@H+]1C1CC1 ZINC000124002434 291083208 /nfs/dbraw/zinc/08/32/08/291083208.db2.gz XQUMKQOTCAKOFT-LSDHHAIUSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@H]1C[C@@H](NCC[NH+]2CCCCCC2)C[N@H+]1C1CC1 ZINC000124002434 291083211 /nfs/dbraw/zinc/08/32/11/291083211.db2.gz XQUMKQOTCAKOFT-LSDHHAIUSA-N 2 1 265.445 2.077 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000414065199 540235848 /nfs/dbraw/zinc/23/58/48/540235848.db2.gz FQEKFYKWVSICCG-KBPBESRZSA-N 2 1 279.428 2.341 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1scnc1C1CC1 ZINC000414933268 540248227 /nfs/dbraw/zinc/24/82/27/540248227.db2.gz DLEWWRLENRFIOB-KOLCDFICSA-N 2 1 251.399 2.108 20 0 CEADMP C[N@@H+](CCc1ccc2c(c1)CCO2)C[C@H]1CCC[NH+](C)C1 ZINC000075766460 363488354 /nfs/dbraw/zinc/48/83/54/363488354.db2.gz WCSNOJSLZWRWPT-INIZCTEOSA-N 2 1 288.435 2.438 20 0 CEADMP C[NH+](CCc1ccc2c(c1)CCO2)C[C@H]1CCC[N@H+](C)C1 ZINC000075766460 363488356 /nfs/dbraw/zinc/48/83/56/363488356.db2.gz WCSNOJSLZWRWPT-INIZCTEOSA-N 2 1 288.435 2.438 20 0 CEADMP C[NH+](CCc1ccc2c(c1)CCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000075766460 363488357 /nfs/dbraw/zinc/48/83/57/363488357.db2.gz WCSNOJSLZWRWPT-INIZCTEOSA-N 2 1 288.435 2.438 20 0 CEADMP C[N@H+](CCOCC(F)(F)F)CC[C@@H]1CCCC[NH+]1C ZINC000075860419 363494667 /nfs/dbraw/zinc/49/46/67/363494667.db2.gz XZMDQTZDHOCLOB-LBPRGKRZSA-N 2 1 282.350 2.372 20 0 CEADMP C[N@@H+](CCOCC(F)(F)F)CC[C@@H]1CCCC[NH+]1C ZINC000075860419 363494671 /nfs/dbraw/zinc/49/46/71/363494671.db2.gz XZMDQTZDHOCLOB-LBPRGKRZSA-N 2 1 282.350 2.372 20 0 CEADMP C[NH+](CCOCC(F)(F)F)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860419 363494676 /nfs/dbraw/zinc/49/46/76/363494676.db2.gz XZMDQTZDHOCLOB-LBPRGKRZSA-N 2 1 282.350 2.372 20 0 CEADMP C[NH+](CCOCC(F)(F)F)CC[C@@H]1CCCC[N@H+]1C ZINC000075860419 363494680 /nfs/dbraw/zinc/49/46/80/363494680.db2.gz XZMDQTZDHOCLOB-LBPRGKRZSA-N 2 1 282.350 2.372 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000076005091 363507750 /nfs/dbraw/zinc/50/77/50/363507750.db2.gz HUDPROZPPOFZKJ-OAHLLOKOSA-N 2 1 261.413 2.288 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000076005091 363507754 /nfs/dbraw/zinc/50/77/54/363507754.db2.gz HUDPROZPPOFZKJ-OAHLLOKOSA-N 2 1 261.413 2.288 20 0 CEADMP O[C@H](C[NH2+][C@H]1CCSc2ccccc21)C[NH+]1CCCC1 ZINC000338396293 366339017 /nfs/dbraw/zinc/33/90/17/366339017.db2.gz DJQJLIZAPFEMSA-HIFRSBDPSA-N 2 1 292.448 2.270 20 0 CEADMP Cc1[nH+]ccn1CCN1CC[N@@H+](C)CC12CCCCC2 ZINC000336339407 213187020 /nfs/dbraw/zinc/18/70/20/213187020.db2.gz HZQCLEKTIZSRHL-UHFFFAOYSA-N 2 1 276.428 2.142 20 0 CEADMP Cc1[nH+]ccn1CCN1CC[N@H+](C)CC12CCCCC2 ZINC000336339407 213187022 /nfs/dbraw/zinc/18/70/22/213187022.db2.gz HZQCLEKTIZSRHL-UHFFFAOYSA-N 2 1 276.428 2.142 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCC4(CCCCC4)O3)C[C@@H]2C1 ZINC000193596673 283212749 /nfs/dbraw/zinc/21/27/49/283212749.db2.gz KBXBVFYKPKKMHY-OWCLPIDISA-N 2 1 278.440 2.362 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000338429009 366355512 /nfs/dbraw/zinc/35/55/12/366355512.db2.gz ROEUJEBFZCFTFY-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCC4(CCCCC4)O3)C[C@@H]2C1 ZINC000193596673 283212744 /nfs/dbraw/zinc/21/27/44/283212744.db2.gz KBXBVFYKPKKMHY-OWCLPIDISA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCC4(CCCCC4)O3)C[C@@H]2C1 ZINC000193596673 283212746 /nfs/dbraw/zinc/21/27/46/283212746.db2.gz KBXBVFYKPKKMHY-OWCLPIDISA-N 2 1 278.440 2.362 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC000338429009 366355505 /nfs/dbraw/zinc/35/55/05/366355505.db2.gz ROEUJEBFZCFTFY-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@](C[NH3+])([NH2+]Cc1cc2c(c(Cl)c1)OCO2)C1CC1 ZINC000575923296 366374138 /nfs/dbraw/zinc/37/41/38/366374138.db2.gz BUDZFSOSAYTUKX-CQSZACIVSA-N 2 1 282.771 2.286 20 0 CEADMP C([C@@H]1CCCO1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134887562 366370018 /nfs/dbraw/zinc/37/00/18/366370018.db2.gz OHLLFVPWJUWFEV-BPUTZDHNSA-N 2 1 264.413 2.114 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134887562 366370022 /nfs/dbraw/zinc/37/00/22/366370022.db2.gz OHLLFVPWJUWFEV-BPUTZDHNSA-N 2 1 264.413 2.114 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134887562 366370025 /nfs/dbraw/zinc/37/00/25/366370025.db2.gz OHLLFVPWJUWFEV-BPUTZDHNSA-N 2 1 264.413 2.114 20 0 CEADMP Cc1ccsc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678258749 538789168 /nfs/dbraw/zinc/78/91/68/538789168.db2.gz LZTACGRZRCEZGL-OAHLLOKOSA-N 2 1 293.480 2.268 20 0 CEADMP Cc1ccsc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000678258749 538789172 /nfs/dbraw/zinc/78/91/72/538789172.db2.gz LZTACGRZRCEZGL-OAHLLOKOSA-N 2 1 293.480 2.268 20 0 CEADMP CC1(C)C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCCO1 ZINC000383427735 540277594 /nfs/dbraw/zinc/27/75/94/540277594.db2.gz VDMSVQLFEIYPMP-UHFFFAOYSA-N 2 1 274.408 2.333 20 0 CEADMP CC[NH+](CC)C[C@@H](C)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000352289286 540298524 /nfs/dbraw/zinc/29/85/24/540298524.db2.gz HTWOGFZLDWINIJ-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[C@H]1CC[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000353515215 540316147 /nfs/dbraw/zinc/31/61/47/540316147.db2.gz HRXXVOLDBDZBBB-CVEARBPZSA-N 2 1 267.461 2.038 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)[C@@H]1C ZINC000354350265 291120789 /nfs/dbraw/zinc/12/07/89/291120789.db2.gz ZUNUBRWHHKSAQK-YCPHGPKFSA-N 2 1 296.455 2.428 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)[C@@H]1C ZINC000354350265 291120792 /nfs/dbraw/zinc/12/07/92/291120792.db2.gz ZUNUBRWHHKSAQK-YCPHGPKFSA-N 2 1 296.455 2.428 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCCC3(CCOCC3)C2)CC[NH2+]1 ZINC000334882567 291122840 /nfs/dbraw/zinc/12/28/40/291122840.db2.gz PIKHKJIWYVKZQA-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP Oc1ccccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166440396 540340477 /nfs/dbraw/zinc/34/04/77/540340477.db2.gz NECBEIGQIMKRKL-HUUCEWRRSA-N 2 1 260.381 2.151 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000156825581 540346453 /nfs/dbraw/zinc/34/64/53/540346453.db2.gz VZZSYWYUDXHDBN-AWEZNQCLSA-N 3 1 255.450 2.038 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000156825581 540346456 /nfs/dbraw/zinc/34/64/56/540346456.db2.gz VZZSYWYUDXHDBN-AWEZNQCLSA-N 3 1 255.450 2.038 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000414804239 236487159 /nfs/dbraw/zinc/48/71/59/236487159.db2.gz OLFMRXKAPPJCHQ-BBRMVZONSA-N 2 1 270.380 2.089 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)CCO1 ZINC000070345373 291145801 /nfs/dbraw/zinc/14/58/01/291145801.db2.gz ARPSPKDOZVOPDG-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]CC1([NH3+])CCCCCC1 ZINC000414860725 236522518 /nfs/dbraw/zinc/52/25/18/236522518.db2.gz QKOOSJMYYJZBBV-UHFFFAOYSA-N 2 1 264.417 2.178 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000577742928 366390459 /nfs/dbraw/zinc/39/04/59/366390459.db2.gz KAQCXOJLLSEATN-OAHLLOKOSA-N 2 1 273.384 2.303 20 0 CEADMP Cn1cncc1CCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000577742928 366390462 /nfs/dbraw/zinc/39/04/62/366390462.db2.gz KAQCXOJLLSEATN-OAHLLOKOSA-N 2 1 273.384 2.303 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000135199436 366407335 /nfs/dbraw/zinc/40/73/35/366407335.db2.gz JWJOHEVCHZGWCV-NFAWXSAZSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135199436 366407339 /nfs/dbraw/zinc/40/73/39/366407339.db2.gz JWJOHEVCHZGWCV-NFAWXSAZSA-N 2 1 274.412 2.014 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)C(=O)OC)[C@H](C)C1 ZINC000338568049 366416631 /nfs/dbraw/zinc/41/66/31/366416631.db2.gz MDMCZLSWLJCFSG-ZIAGYGMSSA-N 2 1 284.444 2.238 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(C)(C)C(=O)OC)[C@H](C)C1 ZINC000338568049 366416635 /nfs/dbraw/zinc/41/66/35/366416635.db2.gz MDMCZLSWLJCFSG-ZIAGYGMSSA-N 2 1 284.444 2.238 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(C)(C)C(=O)OC)[C@H](C)C1 ZINC000338568049 366416639 /nfs/dbraw/zinc/41/66/39/366416639.db2.gz MDMCZLSWLJCFSG-ZIAGYGMSSA-N 2 1 284.444 2.238 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000294901983 199239025 /nfs/dbraw/zinc/23/90/25/199239025.db2.gz RQDJKKSVKMKBJT-QSPRXWTASA-N 2 1 274.408 2.152 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000294901983 199239027 /nfs/dbraw/zinc/23/90/27/199239027.db2.gz RQDJKKSVKMKBJT-QSPRXWTASA-N 2 1 274.408 2.152 20 0 CEADMP CC[C@H](c1ccccc1OC)N(C)C[C@H](O)C[N@@H+](C)CC ZINC000578245131 366467461 /nfs/dbraw/zinc/46/74/61/366467461.db2.gz DHXLGRWJRWCXMD-GDBMZVCRSA-N 2 1 294.439 2.391 20 0 CEADMP Cc1csc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)n1 ZINC000080313066 363657225 /nfs/dbraw/zinc/65/72/25/363657225.db2.gz UMCHXTMVGJLZTB-SNVBAGLBSA-N 2 1 250.371 2.307 20 0 CEADMP C[C@H](CO)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723422 540493039 /nfs/dbraw/zinc/49/30/39/540493039.db2.gz XGQDFNKHQRNBMO-WMZOPIPTSA-N 2 1 288.435 2.213 20 0 CEADMP C[C@H](CO)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671723422 540493042 /nfs/dbraw/zinc/49/30/42/540493042.db2.gz XGQDFNKHQRNBMO-WMZOPIPTSA-N 2 1 288.435 2.213 20 0 CEADMP C[C@H](CO)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723422 540493043 /nfs/dbraw/zinc/49/30/43/540493043.db2.gz XGQDFNKHQRNBMO-WMZOPIPTSA-N 2 1 288.435 2.213 20 0 CEADMP Cc1csc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000671740872 540496742 /nfs/dbraw/zinc/49/67/42/540496742.db2.gz RPWCHENIHUDCFJ-MCIONIFRSA-N 2 1 279.453 2.456 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(CO)cc2)[C@@H]2CCC[C@@H]21 ZINC000671755367 540502261 /nfs/dbraw/zinc/50/22/61/540502261.db2.gz URIHCAHIZSUAEQ-BZSNNMDCSA-N 2 1 288.435 2.184 20 0 CEADMP CCN(CCC[NH+]1CCCC1)Cc1c[nH+]c(C)n1C ZINC000668166245 540577725 /nfs/dbraw/zinc/57/77/25/540577725.db2.gz VYMSJKCMNQOEIE-UHFFFAOYSA-N 2 1 264.417 2.036 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)Cc2ccccc2)CC1 ZINC000297113862 200088630 /nfs/dbraw/zinc/08/86/30/200088630.db2.gz LWIVVIGFERHMFY-GOSISDBHSA-N 2 1 290.451 2.395 20 0 CEADMP COC1(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000571140275 299294609 /nfs/dbraw/zinc/29/46/09/299294609.db2.gz NIHZRWCBQCNGKE-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000297568689 200230483 /nfs/dbraw/zinc/23/04/83/200230483.db2.gz CPLGRBNUQRFFFO-NXHRZFHOSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000297568689 200230485 /nfs/dbraw/zinc/23/04/85/200230485.db2.gz CPLGRBNUQRFFFO-NXHRZFHOSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000297568689 200230486 /nfs/dbraw/zinc/23/04/86/200230486.db2.gz CPLGRBNUQRFFFO-NXHRZFHOSA-N 2 1 288.435 2.354 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000341776301 216097687 /nfs/dbraw/zinc/09/76/87/216097687.db2.gz UGWJVPNRQJPQQQ-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP c1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339074933 366641686 /nfs/dbraw/zinc/64/16/86/366641686.db2.gz NCWOQEBSRHCJDI-CABCVRRESA-N 2 1 284.407 2.253 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCSC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000579495713 366655371 /nfs/dbraw/zinc/65/53/71/366655371.db2.gz JKBDSVKGCUDLDM-KFWWJZLASA-N 2 1 286.485 2.028 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCSC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000579495713 366655375 /nfs/dbraw/zinc/65/53/75/366655375.db2.gz JKBDSVKGCUDLDM-KFWWJZLASA-N 2 1 286.485 2.028 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(N2CCOC2=O)c1 ZINC000151904232 366674083 /nfs/dbraw/zinc/67/40/83/366674083.db2.gz REEMGSBTJZDLNW-CYBMUJFWSA-N 2 1 291.395 2.246 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000178232857 189099405 /nfs/dbraw/zinc/09/94/05/189099405.db2.gz XKGMFBGSAOABOM-RHSMWYFYSA-N 2 1 288.435 2.484 20 0 CEADMP COCCC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000178413050 189114405 /nfs/dbraw/zinc/11/44/05/189114405.db2.gz JBJRSSKVWKHSLB-ZDUSSCGKSA-N 2 1 288.395 2.480 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(CO)c(F)c1 ZINC000178563219 189126994 /nfs/dbraw/zinc/12/69/94/189126994.db2.gz FASULPLQVVUSBO-HSMVNMDESA-N 2 1 280.387 2.136 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(CO)c(F)c1 ZINC000178563219 189126995 /nfs/dbraw/zinc/12/69/95/189126995.db2.gz FASULPLQVVUSBO-HSMVNMDESA-N 2 1 280.387 2.136 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000178742544 189142197 /nfs/dbraw/zinc/14/21/97/189142197.db2.gz RRKPCRCYZBXALS-KEYYUXOJSA-N 2 1 299.422 2.086 20 0 CEADMP COCC[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000178955368 189157569 /nfs/dbraw/zinc/15/75/69/189157569.db2.gz MGHKCSGJMIEFLW-UHFFFAOYSA-N 2 1 262.397 2.135 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000675765331 540871850 /nfs/dbraw/zinc/87/18/50/540871850.db2.gz CBDKYHIPVGVWMK-CABCVRRESA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675770152 540872699 /nfs/dbraw/zinc/87/26/99/540872699.db2.gz WSSPECWCBTUVMM-BZUAXINKSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675770152 540872700 /nfs/dbraw/zinc/87/27/00/540872700.db2.gz WSSPECWCBTUVMM-BZUAXINKSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H](Cc1cccs1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000675822425 540876359 /nfs/dbraw/zinc/87/63/59/540876359.db2.gz ZSFKGNJOUYJMNC-HNNXBMFYSA-N 2 1 295.496 2.296 20 0 CEADMP CCC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882885 540878428 /nfs/dbraw/zinc/87/84/28/540878428.db2.gz UONBEYDXINBQIC-UKRRQHHQSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000111696075 296028702 /nfs/dbraw/zinc/02/87/02/296028702.db2.gz SPZMXMDGXAGRBX-MNOVXSKESA-N 2 1 268.323 2.015 20 0 CEADMP c1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1OCO2 ZINC000677236004 540995244 /nfs/dbraw/zinc/99/52/44/540995244.db2.gz LEZGFSOUBHEXMZ-GJZGRUSLSA-N 2 1 288.391 2.174 20 0 CEADMP COCC[N@H+](CCCn1cc[nH+]c1C)C1CCCC1 ZINC000677817951 541046695 /nfs/dbraw/zinc/04/66/95/541046695.db2.gz CSCPBLMWGDXWAM-UHFFFAOYSA-N 2 1 265.401 2.473 20 0 CEADMP COCC[N@@H+](CCCn1cc[nH+]c1C)C1CCCC1 ZINC000677817951 541046697 /nfs/dbraw/zinc/04/66/97/541046697.db2.gz CSCPBLMWGDXWAM-UHFFFAOYSA-N 2 1 265.401 2.473 20 0 CEADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1c(C)ccnc1C ZINC000579923368 366722378 /nfs/dbraw/zinc/72/23/78/366722378.db2.gz PSQWTSMYZYYCBB-ZDUSSCGKSA-N 2 1 276.384 2.256 20 0 CEADMP CCc1nc(NC[C@H](c2ccccc2)[NH+](C)C)cc(C)[nH+]1 ZINC000339974431 366735558 /nfs/dbraw/zinc/73/55/58/366735558.db2.gz HQGAHLIUSNAKQN-OAHLLOKOSA-N 2 1 284.407 2.484 20 0 CEADMP Cc1noc([C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000678045902 541071749 /nfs/dbraw/zinc/07/17/49/541071749.db2.gz LXAMLGVQBAJVCS-GFCCVEGCSA-N 2 1 280.416 2.493 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000581831886 366825335 /nfs/dbraw/zinc/82/53/35/366825335.db2.gz AHHJIBARYRJHDW-NVXWUHKLSA-N 2 1 276.424 2.348 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000571800086 299329138 /nfs/dbraw/zinc/32/91/38/299329138.db2.gz QNHWDIVRPQOIGA-OAHLLOKOSA-N 2 1 270.380 2.043 20 0 CEADMP CCOC(=O)[C@@H](CC)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000084120910 363798175 /nfs/dbraw/zinc/79/81/75/363798175.db2.gz JVUQZFRLCBJEPY-OAHLLOKOSA-N 2 1 282.428 2.136 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1F ZINC000019959371 361571147 /nfs/dbraw/zinc/57/11/47/361571147.db2.gz PSHSHZQTBVMIMH-NSHDSACASA-N 2 1 254.349 2.437 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000678412565 541131312 /nfs/dbraw/zinc/13/13/12/541131312.db2.gz XIVWWKYQVQCRET-CQSZACIVSA-N 2 1 279.428 2.317 20 0 CEADMP CC1(C)CCc2cc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)ccc2O1 ZINC000678342727 541119501 /nfs/dbraw/zinc/11/95/01/541119501.db2.gz FGOBKAYTBJYSDC-HOTGVXAUSA-N 2 1 286.419 2.441 20 0 CEADMP C[C@@H]1CC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000679024026 541205707 /nfs/dbraw/zinc/20/57/07/541205707.db2.gz XQHWRWKVFNJCQF-CKEIUWERSA-N 2 1 296.455 2.175 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1(C)C ZINC000085382595 363836157 /nfs/dbraw/zinc/83/61/57/363836157.db2.gz UUDNZSJZPQGXKQ-APIJFGDWSA-N 2 1 266.429 2.406 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1(C)C ZINC000085382595 363836160 /nfs/dbraw/zinc/83/61/60/363836160.db2.gz UUDNZSJZPQGXKQ-APIJFGDWSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCCCO)C1 ZINC000679356641 541263859 /nfs/dbraw/zinc/26/38/59/541263859.db2.gz FDCGLGOSVUIUDS-HOTGVXAUSA-N 2 1 270.461 2.495 20 0 CEADMP CCc1cc(NC[C@H](C)C[NH+]2CCCC2)nc(C)[nH+]1 ZINC000088760400 363922131 /nfs/dbraw/zinc/92/21/31/363922131.db2.gz NOTLQLXYIDAECV-LBPRGKRZSA-N 2 1 262.401 2.491 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CSC3)c2)CCO1 ZINC000679839067 541323855 /nfs/dbraw/zinc/32/38/55/541323855.db2.gz FPXHAVQXFQIQNW-CYBMUJFWSA-N 2 1 292.448 2.112 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CSC3)c2)CCO1 ZINC000679839067 541323857 /nfs/dbraw/zinc/32/38/57/541323857.db2.gz FPXHAVQXFQIQNW-CYBMUJFWSA-N 2 1 292.448 2.112 20 0 CEADMP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090586159 364061691 /nfs/dbraw/zinc/06/16/91/364061691.db2.gz PJYAMLMJRPAZSX-HUUCEWRRSA-N 2 1 256.434 2.369 20 0 CEADMP CC1(C)Cc2cc(C[N@H+]3CC[C@H](C[NH3+])C3)ccc2O1 ZINC000334663200 364149413 /nfs/dbraw/zinc/14/94/13/364149413.db2.gz QIBAPMZAMPGPDS-CYBMUJFWSA-N 2 1 260.381 2.181 20 0 CEADMP Cc1cccnc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093175474 364150160 /nfs/dbraw/zinc/15/01/60/364150160.db2.gz IKDYYSOYPJIPIR-HNNXBMFYSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cccnc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093175474 364150168 /nfs/dbraw/zinc/15/01/68/364150168.db2.gz IKDYYSOYPJIPIR-HNNXBMFYSA-N 2 1 259.397 2.308 20 0 CEADMP C[C@H](c1ccccc1Cl)[N@@H+](C)CCOCC[NH3+] ZINC000093232472 364152923 /nfs/dbraw/zinc/15/29/23/364152923.db2.gz SCKUMHDCXNNYDD-LLVKDONJSA-N 2 1 256.777 2.308 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cncn1C ZINC000237501979 370727213 /nfs/dbraw/zinc/72/72/13/370727213.db2.gz GGOONRBIFGPNFD-AWEZNQCLSA-N 2 1 264.417 2.164 20 0 CEADMP C1=C(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)COCC1 ZINC000093683789 364214022 /nfs/dbraw/zinc/21/40/22/364214022.db2.gz JQUSWUOWDRXWIK-OAHLLOKOSA-N 2 1 264.413 2.141 20 0 CEADMP Cn1cccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683851 364214825 /nfs/dbraw/zinc/21/48/25/364214825.db2.gz ZPUNZUJHVXERJY-HNNXBMFYSA-N 2 1 261.413 2.333 20 0 CEADMP Cn1cccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683851 364214832 /nfs/dbraw/zinc/21/48/32/364214832.db2.gz ZPUNZUJHVXERJY-HNNXBMFYSA-N 2 1 261.413 2.333 20 0 CEADMP Cc1nc(CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cs1 ZINC000334710758 364217702 /nfs/dbraw/zinc/21/77/02/364217702.db2.gz MPWBNAQVXSKNSC-HNNXBMFYSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1nc(CC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cs1 ZINC000334710758 364217708 /nfs/dbraw/zinc/21/77/08/364217708.db2.gz MPWBNAQVXSKNSC-HNNXBMFYSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1nc(CC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cs1 ZINC000334710758 364217715 /nfs/dbraw/zinc/21/77/15/364217715.db2.gz MPWBNAQVXSKNSC-HNNXBMFYSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1nc(CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cs1 ZINC000334710758 364217720 /nfs/dbraw/zinc/21/77/20/364217720.db2.gz MPWBNAQVXSKNSC-HNNXBMFYSA-N 2 1 279.453 2.412 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000334693241 364191095 /nfs/dbraw/zinc/19/10/95/364191095.db2.gz TYHHYSYUUFDABB-OCCSQVGLSA-N 2 1 272.396 2.133 20 0 CEADMP C[C@H]([NH2+]Cc1cncnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272220686 541345965 /nfs/dbraw/zinc/34/59/65/541345965.db2.gz RZNHCXBXLIIDAM-YJBOKZPZSA-N 2 1 296.418 2.477 20 0 CEADMP C[C@H]([NH2+]Cc1cncnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272220686 541345969 /nfs/dbraw/zinc/34/59/69/541345969.db2.gz RZNHCXBXLIIDAM-YJBOKZPZSA-N 2 1 296.418 2.477 20 0 CEADMP [NH3+]CCCOC1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000094072672 364251031 /nfs/dbraw/zinc/25/10/31/364251031.db2.gz YKVQGTBDSOCRBB-UHFFFAOYSA-N 2 1 283.803 2.065 20 0 CEADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000094341519 364268910 /nfs/dbraw/zinc/26/89/10/364268910.db2.gz NFKWZJDQBVMCPS-AAEUAGOBSA-N 2 1 295.814 2.338 20 0 CEADMP Cc1ncc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000334867382 364279360 /nfs/dbraw/zinc/27/93/60/364279360.db2.gz DEXNUTCFKMVFCX-JSGCOSHPSA-N 2 1 265.426 2.416 20 0 CEADMP Cc1ncc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000334867382 364279362 /nfs/dbraw/zinc/27/93/62/364279362.db2.gz DEXNUTCFKMVFCX-JSGCOSHPSA-N 2 1 265.426 2.416 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000335030901 364377492 /nfs/dbraw/zinc/37/74/92/364377492.db2.gz UKIYJBHNVCGURO-CYBMUJFWSA-N 2 1 287.407 2.017 20 0 CEADMP Cc1ccn2cc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)nc2c1 ZINC000335032804 364381005 /nfs/dbraw/zinc/38/10/05/364381005.db2.gz ARHJXWKKQWPTOM-UKRRQHHQSA-N 2 1 272.396 2.120 20 0 CEADMP C[C@H]([NH2+]C1Cc2ccccc2C1)c1c[nH+]ccc1N ZINC000335039058 364388104 /nfs/dbraw/zinc/38/81/04/364388104.db2.gz LRHWJYLKGFPZJO-NSHDSACASA-N 2 1 253.349 2.312 20 0 CEADMP Cc1ccn2cc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)nc2c1 ZINC000581894993 366833899 /nfs/dbraw/zinc/83/38/99/366833899.db2.gz OJCQUJOCTMDHLS-QWHCGFSZSA-N 2 1 258.369 2.002 20 0 CEADMP C[C@H]1C[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000335066462 364424745 /nfs/dbraw/zinc/42/47/45/364424745.db2.gz BCJOQOLRDNKYEZ-RLIYEPBISA-N 2 1 291.483 2.212 20 0 CEADMP Cn1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(C(C)(C)C)n1 ZINC000158480739 366857127 /nfs/dbraw/zinc/85/71/27/366857127.db2.gz IIHNTLXQVNYUFD-ZDUSSCGKSA-N 2 1 278.444 2.278 20 0 CEADMP C[C@@H](C(=O)N(C)CC1CC[NH+](C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000103531563 364663239 /nfs/dbraw/zinc/66/32/39/364663239.db2.gz ZAAJJNZUBJVXTM-ZNMIVQPWSA-N 2 1 295.471 2.048 20 0 CEADMP COc1cccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000104095410 364677140 /nfs/dbraw/zinc/67/71/40/364677140.db2.gz XHTOAYMMEZHHHQ-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP COc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000104095410 364677145 /nfs/dbraw/zinc/67/71/45/364677145.db2.gz XHTOAYMMEZHHHQ-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP COc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000104095410 364677147 /nfs/dbraw/zinc/67/71/47/364677147.db2.gz XHTOAYMMEZHHHQ-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CCCC13CCOCC3)C2 ZINC000335373871 364696280 /nfs/dbraw/zinc/69/62/80/364696280.db2.gz RPHKNCHIIXGNHM-DOMZBBRYSA-N 2 1 275.396 2.206 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]C2CCCCCC2)CC1 ZINC000105476793 364700399 /nfs/dbraw/zinc/70/03/99/364700399.db2.gz BTIHXUNRAMYEKF-UHFFFAOYSA-N 2 1 267.461 2.326 20 0 CEADMP c1cn(-c2csc(C[NH+]3CCC4(CC[NH2+]4)CC3)c2)cn1 ZINC000335415799 364708093 /nfs/dbraw/zinc/70/80/93/364708093.db2.gz WHIKIIVALSDDDN-UHFFFAOYSA-N 2 1 288.420 2.262 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CCCCCC1 ZINC000111380549 364733171 /nfs/dbraw/zinc/73/31/71/364733171.db2.gz YPQLVDBSYVZONR-HNNXBMFYSA-N 2 1 281.444 2.029 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NC1CCCCCC1 ZINC000111380549 364733177 /nfs/dbraw/zinc/73/31/77/364733177.db2.gz YPQLVDBSYVZONR-HNNXBMFYSA-N 2 1 281.444 2.029 20 0 CEADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)CC(C)C ZINC000112914931 364856829 /nfs/dbraw/zinc/85/68/29/364856829.db2.gz NKCBCEWULJFUQO-OAHLLOKOSA-N 2 1 285.476 2.199 20 0 CEADMP [NH3+]CC1(O)CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000335626498 212340265 /nfs/dbraw/zinc/34/02/65/212340265.db2.gz QZQMPRUXTHMQSU-UHFFFAOYSA-N 2 1 289.206 2.279 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CC2CCOCC2)CC1 ZINC000112698120 364830129 /nfs/dbraw/zinc/83/01/29/364830129.db2.gz QRMQSXSGDXUDRG-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP Cc1ccc(F)cc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000335631433 212345478 /nfs/dbraw/zinc/34/54/78/212345478.db2.gz OREZCIMRTFVPFU-HNNXBMFYSA-N 2 1 292.398 2.321 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000113516377 364904175 /nfs/dbraw/zinc/90/41/75/364904175.db2.gz PPAFOIJPBVZTQA-CYBMUJFWSA-N 2 1 266.360 2.088 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000113516377 364904176 /nfs/dbraw/zinc/90/41/76/364904176.db2.gz PPAFOIJPBVZTQA-CYBMUJFWSA-N 2 1 266.360 2.088 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC000356648794 370784389 /nfs/dbraw/zinc/78/43/89/370784389.db2.gz PZTXMDJWBANWRR-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000356648794 370784393 /nfs/dbraw/zinc/78/43/93/370784393.db2.gz PZTXMDJWBANWRR-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000356648794 370784397 /nfs/dbraw/zinc/78/43/97/370784397.db2.gz PZTXMDJWBANWRR-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP Cc1nc(CN2CC[C@]3(CC[N@H+](C)C3)C2)sc1C ZINC000335917785 365160117 /nfs/dbraw/zinc/16/01/17/365160117.db2.gz LWDXKCLDUXYBLC-AWEZNQCLSA-N 2 1 265.426 2.288 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000357149768 370806733 /nfs/dbraw/zinc/80/67/33/370806733.db2.gz BCRSMPIVDUHSSM-JKSUJKDBSA-N 2 1 295.471 2.286 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1 ZINC000582130057 366867978 /nfs/dbraw/zinc/86/79/78/366867978.db2.gz OZDNZLYVLBXTNW-QZTJIDSGSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000582130057 366867981 /nfs/dbraw/zinc/86/79/81/366867981.db2.gz OZDNZLYVLBXTNW-QZTJIDSGSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000582130057 366867982 /nfs/dbraw/zinc/86/79/82/366867982.db2.gz OZDNZLYVLBXTNW-QZTJIDSGSA-N 2 1 290.451 2.396 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119847752 365333636 /nfs/dbraw/zinc/33/36/36/365333636.db2.gz CXGKRSWEBQTTFG-GPANFISMSA-N 2 1 295.471 2.097 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1C ZINC000336106616 365415676 /nfs/dbraw/zinc/41/56/76/365415676.db2.gz VMGMLFGMXAETDS-GJZGRUSLSA-N 2 1 260.381 2.187 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1C ZINC000336106616 365415680 /nfs/dbraw/zinc/41/56/80/365415680.db2.gz VMGMLFGMXAETDS-GJZGRUSLSA-N 2 1 260.381 2.187 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccncc1 ZINC000275732412 193115360 /nfs/dbraw/zinc/11/53/60/193115360.db2.gz ZYSFSZIPAIENEH-QWHCGFSZSA-N 2 1 256.353 2.191 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000120430065 365423092 /nfs/dbraw/zinc/42/30/92/365423092.db2.gz KOSNQGQRDRJEQZ-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000120430065 365423098 /nfs/dbraw/zinc/42/30/98/365423098.db2.gz KOSNQGQRDRJEQZ-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000120430065 365423107 /nfs/dbraw/zinc/42/31/07/365423107.db2.gz KOSNQGQRDRJEQZ-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(Cc3nc4ccc(F)cc4o3)C2)C1 ZINC000336125615 365445473 /nfs/dbraw/zinc/44/54/73/365445473.db2.gz HCZKFIPLWMAQBN-MRXNPFEDSA-N 2 1 289.354 2.495 20 0 CEADMP CC(C)[N@H+]1CCCN(Cc2cnc3ccccn23)CC1 ZINC000336132129 365455208 /nfs/dbraw/zinc/45/52/08/365455208.db2.gz WDQWRZBHJORKCO-UHFFFAOYSA-N 2 1 272.396 2.250 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000340473005 366899004 /nfs/dbraw/zinc/89/90/04/366899004.db2.gz JIARVZXRJVWCLI-HZPDHXFCSA-N 3 1 267.461 2.325 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)CCN1C ZINC000340473005 366899006 /nfs/dbraw/zinc/89/90/06/366899006.db2.gz JIARVZXRJVWCLI-HZPDHXFCSA-N 2 1 267.461 2.325 20 0 CEADMP C[NH+](C)C(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000120967342 365504263 /nfs/dbraw/zinc/50/42/63/365504263.db2.gz UHXQEKNSIFWPIR-MJBXVCDLSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000582704297 366945960 /nfs/dbraw/zinc/94/59/60/366945960.db2.gz SEKDGLBIYZOWFZ-DLBZAZTESA-N 2 1 278.440 2.252 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000582704297 366945963 /nfs/dbraw/zinc/94/59/63/366945963.db2.gz SEKDGLBIYZOWFZ-DLBZAZTESA-N 2 1 278.440 2.252 20 0 CEADMP CC[C@@H](Cc1ccccc1)[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000582704297 366945965 /nfs/dbraw/zinc/94/59/65/366945965.db2.gz SEKDGLBIYZOWFZ-DLBZAZTESA-N 2 1 278.440 2.252 20 0 CEADMP CC[C@@H](Cc1ccccc1)[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000582704297 366945967 /nfs/dbraw/zinc/94/59/67/366945967.db2.gz SEKDGLBIYZOWFZ-DLBZAZTESA-N 2 1 278.440 2.252 20 0 CEADMP COC(C)(C)[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000340524588 366921088 /nfs/dbraw/zinc/92/10/88/366921088.db2.gz XTDALEXORVUCDT-HSBZDZAISA-N 2 1 254.418 2.406 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]1CN1CCCC1)C[NH2+]CC2 ZINC000583029186 366992182 /nfs/dbraw/zinc/99/21/82/366992182.db2.gz DVYMWXLHROTLSV-LJQANCHMSA-N 2 1 299.462 2.393 20 0 CEADMP c1cc2c(cc1C[N@@H+]1CCC[C@@H]1CN1CCCC1)C[NH2+]CC2 ZINC000583029186 366992188 /nfs/dbraw/zinc/99/21/88/366992188.db2.gz DVYMWXLHROTLSV-LJQANCHMSA-N 2 1 299.462 2.393 20 0 CEADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H](CCO)c1ccccc1 ZINC000340714308 366999761 /nfs/dbraw/zinc/99/97/61/366999761.db2.gz VNQRDMCPDCCTOU-HOTGVXAUSA-N 2 1 262.397 2.042 20 0 CEADMP Cc1cnc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)n1C ZINC000341000658 367125795 /nfs/dbraw/zinc/12/57/95/367125795.db2.gz APTXFBFJWCGOHZ-UHFFFAOYSA-N 2 1 299.422 2.191 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000584047313 367134193 /nfs/dbraw/zinc/13/41/93/367134193.db2.gz JRYMNRKMNVDJSJ-JKSUJKDBSA-N 2 1 287.407 2.173 20 0 CEADMP CC[NH+](CC)C[C@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000162072542 367134553 /nfs/dbraw/zinc/13/45/53/367134553.db2.gz YSYNZPPGAYBDIV-CVEARBPZSA-N 3 1 267.461 2.134 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000584053857 367135049 /nfs/dbraw/zinc/13/50/49/367135049.db2.gz FNWHKMZFOAIKJI-ZDUSSCGKSA-N 2 1 270.380 2.109 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000584053857 367135053 /nfs/dbraw/zinc/13/50/53/367135053.db2.gz FNWHKMZFOAIKJI-ZDUSSCGKSA-N 2 1 270.380 2.109 20 0 CEADMP COCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245650336 370854793 /nfs/dbraw/zinc/85/47/93/370854793.db2.gz CIFBITFGKOMBSW-BJWYYQGGSA-N 2 1 274.408 2.418 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000162890817 367199994 /nfs/dbraw/zinc/19/99/94/367199994.db2.gz WFWGJTMRFSSZHH-HNNXBMFYSA-N 2 1 273.384 2.115 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000162890817 367200004 /nfs/dbraw/zinc/20/00/04/367200004.db2.gz WFWGJTMRFSSZHH-HNNXBMFYSA-N 2 1 273.384 2.115 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000162890817 367200010 /nfs/dbraw/zinc/20/00/10/367200010.db2.gz WFWGJTMRFSSZHH-HNNXBMFYSA-N 2 1 273.384 2.115 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000245612509 370848838 /nfs/dbraw/zinc/84/88/38/370848838.db2.gz KALAZFXLWJPOBA-FPCVCCKLSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000163239941 367225190 /nfs/dbraw/zinc/22/51/90/367225190.db2.gz ZNCLJZMACRLNEU-VXGBXAGGSA-N 2 1 268.788 2.388 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000163235033 367226320 /nfs/dbraw/zinc/22/63/20/367226320.db2.gz UZZSTNBBSJUDAV-OCCSQVGLSA-N 2 1 255.365 2.404 20 0 CEADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000341245745 367241760 /nfs/dbraw/zinc/24/17/60/367241760.db2.gz DREIBSRXJHIGSK-QLFBSQMISA-N 2 1 278.444 2.467 20 0 CEADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000341245745 367241766 /nfs/dbraw/zinc/24/17/66/367241766.db2.gz DREIBSRXJHIGSK-QLFBSQMISA-N 2 1 278.444 2.467 20 0 CEADMP C[C@]1(C[N@H+]2CCCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000261976470 291380234 /nfs/dbraw/zinc/38/02/34/291380234.db2.gz IUDZGHQQIUQHLZ-KRWDZBQOSA-N 2 1 273.424 2.198 20 0 CEADMP CC(C)[NH2+]CCC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000165122744 367303932 /nfs/dbraw/zinc/30/39/32/367303932.db2.gz NNAOXYLOAODMEV-IYBDPMFKSA-N 2 1 297.487 2.249 20 0 CEADMP COc1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166179369 367319717 /nfs/dbraw/zinc/31/97/17/367319717.db2.gz RSWQJYOYGMQXCZ-JKSUJKDBSA-N 2 1 274.408 2.454 20 0 CEADMP CCCCOCCOCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000341944612 367379867 /nfs/dbraw/zinc/37/98/67/367379867.db2.gz BZPUZPZBJGRUNO-OWCLPIDISA-N 2 1 286.460 2.138 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000169001445 367364606 /nfs/dbraw/zinc/36/46/06/367364606.db2.gz MSSHMEFQQGOSEH-SSHXOBKSSA-N 2 1 294.439 2.325 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000169001445 367364615 /nfs/dbraw/zinc/36/46/15/367364615.db2.gz MSSHMEFQQGOSEH-SSHXOBKSSA-N 2 1 294.439 2.325 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)ncn3C)CC1 ZINC000342685816 367482370 /nfs/dbraw/zinc/48/23/70/367482370.db2.gz CSVPWEBIHPKEHJ-UHFFFAOYSA-N 2 1 286.423 2.489 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)ncn3C)CC1 ZINC000342685816 367482376 /nfs/dbraw/zinc/48/23/76/367482376.db2.gz CSVPWEBIHPKEHJ-UHFFFAOYSA-N 2 1 286.423 2.489 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000170901379 367443695 /nfs/dbraw/zinc/44/36/95/367443695.db2.gz DKXLQHSDQKVCRG-CQSZACIVSA-N 2 1 299.378 2.080 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)CC[C@@H]1CCCO1 ZINC000342604317 367446745 /nfs/dbraw/zinc/44/67/45/367446745.db2.gz XPTRILQXJZBFNT-HNNXBMFYSA-N 2 1 254.418 2.363 20 0 CEADMP C[C@@](C[NH3+])([NH2+]CCc1cccc2c1OC(F)(F)O2)C1CC1 ZINC000631822432 367560076 /nfs/dbraw/zinc/56/00/76/367560076.db2.gz CQVZEHNNESXVTK-AWEZNQCLSA-N 2 1 298.333 2.268 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCc2cccc3c2OC(F)(F)O3)C1 ZINC000631823292 367561298 /nfs/dbraw/zinc/56/12/98/367561298.db2.gz AMUWLTZBWWWTBQ-JQWIXIFHSA-N 2 1 298.333 2.220 20 0 CEADMP CCC[NH+](CCC)CCCN[C@H]1C[N@@H+](CC)C[C@H]1C ZINC000342847788 367568975 /nfs/dbraw/zinc/56/89/75/367568975.db2.gz HFAKUWKSHSLYFZ-CVEARBPZSA-N 2 1 269.477 2.428 20 0 CEADMP C[C@@H]1C[N@H+](CCOc2ccc(F)cc2Cl)C[C@H]1C[NH3+] ZINC000631837533 367577694 /nfs/dbraw/zinc/57/76/94/367577694.db2.gz CMSSHMHGCDHIGT-GHMZBOCLSA-N 2 1 286.778 2.385 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2ccc(F)cc2Cl)C[C@H]1C[NH3+] ZINC000631837533 367577697 /nfs/dbraw/zinc/57/76/97/367577697.db2.gz CMSSHMHGCDHIGT-GHMZBOCLSA-N 2 1 286.778 2.385 20 0 CEADMP COc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1SC ZINC000631840152 367581971 /nfs/dbraw/zinc/58/19/71/367581971.db2.gz QDIUULWWKMDMKZ-WCQYABFASA-N 2 1 280.437 2.444 20 0 CEADMP COc1ccccc1/C=C\C[NH2+]CCc1c[nH+]cn1C ZINC000681548598 541565183 /nfs/dbraw/zinc/56/51/83/541565183.db2.gz ZONGFGRRJSWVIB-ALCCZGGFSA-N 2 1 271.364 2.274 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](CCOCc2ccccc2)C1 ZINC000631835789 367575729 /nfs/dbraw/zinc/57/57/29/367575729.db2.gz XTOXRDINQNDGDF-MRXNPFEDSA-N 2 1 262.397 2.407 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](CCOCc2ccccc2)C1 ZINC000631835789 367575735 /nfs/dbraw/zinc/57/57/35/367575735.db2.gz XTOXRDINQNDGDF-MRXNPFEDSA-N 2 1 262.397 2.407 20 0 CEADMP C[C@@H]1C[N@@H+](CCCc2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC000631837037 367576315 /nfs/dbraw/zinc/57/63/15/367576315.db2.gz LXZDQDYZVCQWOH-NEPJUHHUSA-N 2 1 268.351 2.424 20 0 CEADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)cc2)c1 ZINC000631885716 367609622 /nfs/dbraw/zinc/60/96/22/367609622.db2.gz BJXHCBWLIGEYNM-SJLPKXTDSA-N 2 1 296.418 2.446 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631890841 367612739 /nfs/dbraw/zinc/61/27/39/367612739.db2.gz VYIMFCHOVFAOQH-STQMWFEESA-N 2 1 265.426 2.334 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631890841 367612741 /nfs/dbraw/zinc/61/27/41/367612741.db2.gz VYIMFCHOVFAOQH-STQMWFEESA-N 2 1 265.426 2.334 20 0 CEADMP c1cn([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)cn1 ZINC000682028202 541620862 /nfs/dbraw/zinc/62/08/62/541620862.db2.gz YDDAPFMRFOQBOV-INIZCTEOSA-N 2 1 276.428 2.396 20 0 CEADMP c1cn([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)cn1 ZINC000682028202 541620865 /nfs/dbraw/zinc/62/08/65/541620865.db2.gz YDDAPFMRFOQBOV-INIZCTEOSA-N 2 1 276.428 2.396 20 0 CEADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000172092916 367673530 /nfs/dbraw/zinc/67/35/30/367673530.db2.gz ZBYUCBNJPOBKOO-IHRRRGAJSA-N 2 1 285.476 2.246 20 0 CEADMP C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)COC1CCCC1 ZINC000343242961 367720236 /nfs/dbraw/zinc/72/02/36/367720236.db2.gz ATTJLWZKQFZNMA-GVDBMIGSSA-N 2 1 296.455 2.082 20 0 CEADMP CCC(CC)[C@H](CN[C@H]1C[N@@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000343268803 367734104 /nfs/dbraw/zinc/73/41/04/367734104.db2.gz GOVZPBJMJUKYSS-XIRDDKMYSA-N 2 1 281.488 2.427 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@H]1CN(C)C[C@@H]1C)[NH+]1CCCC1 ZINC000343268803 367734108 /nfs/dbraw/zinc/73/41/08/367734108.db2.gz GOVZPBJMJUKYSS-XIRDDKMYSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+](CC(C)C)CC2)C1 ZINC000358028225 370875656 /nfs/dbraw/zinc/87/56/56/370875656.db2.gz TTXJMJJKVJQTRA-GOEBONIOSA-N 2 1 267.461 2.037 20 0 CEADMP CCN1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000343532956 367869209 /nfs/dbraw/zinc/86/92/09/367869209.db2.gz OYYDWUFKFXQLEL-ULQDDVLXSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000173391751 367906264 /nfs/dbraw/zinc/90/62/64/367906264.db2.gz TWCMYOSQDDRCQM-MRXNPFEDSA-N 2 1 275.440 2.365 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000343582169 367897752 /nfs/dbraw/zinc/89/77/52/367897752.db2.gz XXAMCTOOJFCWKG-FVQBIDKESA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000343582169 367897756 /nfs/dbraw/zinc/89/77/56/367897756.db2.gz XXAMCTOOJFCWKG-FVQBIDKESA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000173790115 367944442 /nfs/dbraw/zinc/94/44/42/367944442.db2.gz IENMUWWLHHITCV-ZWKOTPCHSA-N 2 1 290.451 2.254 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000343902869 368067778 /nfs/dbraw/zinc/06/77/78/368067778.db2.gz TWERRHGVPWJXHE-HRCADAONSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000343902869 368067780 /nfs/dbraw/zinc/06/77/80/368067780.db2.gz TWERRHGVPWJXHE-HRCADAONSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000335518446 212206309 /nfs/dbraw/zinc/20/63/09/212206309.db2.gz NFTRHUINQFTQNX-YOEHRIQHSA-N 3 1 279.472 2.371 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCC2(C)C)CC1 ZINC000178780120 368311449 /nfs/dbraw/zinc/31/14/49/368311449.db2.gz NKFFYOORYNDKRL-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000345851915 368453938 /nfs/dbraw/zinc/45/39/38/368453938.db2.gz HIRSDCCZFQMJRK-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]1(C)CCCO ZINC000345952477 368493860 /nfs/dbraw/zinc/49/38/60/368493860.db2.gz NSBIPUOQXVNKHQ-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP CC[C@H](C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)[NH+](CC)CC ZINC000345985627 368508485 /nfs/dbraw/zinc/50/84/85/368508485.db2.gz DLFSFXOOHSLWLA-ARFHVFGLSA-N 2 1 297.487 2.486 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@](C)(CO)C1CCCCC1 ZINC000346271520 368615561 /nfs/dbraw/zinc/61/55/61/368615561.db2.gz DUFTUQKSZFJMEQ-OAHLLOKOSA-N 2 1 265.401 2.112 20 0 CEADMP CC(C)[C@H]1CN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC[N@H+]1C ZINC000634300704 368625627 /nfs/dbraw/zinc/62/56/27/368625627.db2.gz ISTYCVCVKMIKMX-CZUORRHYSA-N 2 1 289.423 2.119 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCn2ccnc2C)C12CCC2 ZINC000346299414 368626135 /nfs/dbraw/zinc/62/61/35/368626135.db2.gz AVGYHGIUWKUYLI-LSDHHAIUSA-N 2 1 277.412 2.471 20 0 CEADMP CCO[C@@H]1C[C@H]([N@H+](C)CCn2cc[nH+]c2C)C12CCC2 ZINC000346299414 368626142 /nfs/dbraw/zinc/62/61/42/368626142.db2.gz AVGYHGIUWKUYLI-LSDHHAIUSA-N 2 1 277.412 2.471 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCn2cc[nH+]c2C)C12CCC2 ZINC000346299414 368626147 /nfs/dbraw/zinc/62/61/47/368626147.db2.gz AVGYHGIUWKUYLI-LSDHHAIUSA-N 2 1 277.412 2.471 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183653575 368638979 /nfs/dbraw/zinc/63/89/79/368638979.db2.gz MXQJXRDSVNLKOP-JSGCOSHPSA-N 2 1 251.374 2.129 20 0 CEADMP CCC[C@]1(CO)CCC[N@H+]1CCC[NH+](CC)CC ZINC000338336788 284071095 /nfs/dbraw/zinc/07/10/95/284071095.db2.gz AKKVZWMJXANKTH-OAHLLOKOSA-N 2 1 256.434 2.345 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCC[C@@H]2CCCCO2)CC[N@H+]1C ZINC000183989041 368662679 /nfs/dbraw/zinc/66/26/79/368662679.db2.gz WAWDVAYIQZTVPH-KKUMJFAQSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)[C@@H]1CCOC1 ZINC000358087171 370899035 /nfs/dbraw/zinc/89/90/35/370899035.db2.gz QGJDLNLBSWCDPT-YUELXQCFSA-N 2 1 265.401 2.232 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000346568373 368720859 /nfs/dbraw/zinc/72/08/59/368720859.db2.gz NQTHSZZBRGZRQG-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP CCC[C@H](C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000346621501 368738613 /nfs/dbraw/zinc/73/86/13/368738613.db2.gz MIERLAORKZZSLO-JKSUJKDBSA-N 2 1 297.487 2.297 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)s1 ZINC000346662218 368758802 /nfs/dbraw/zinc/75/88/02/368758802.db2.gz WKZYZTFUYVBYIU-NWDGAFQWSA-N 2 1 282.457 2.158 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)s1 ZINC000346662218 368758808 /nfs/dbraw/zinc/75/88/08/368758808.db2.gz WKZYZTFUYVBYIU-NWDGAFQWSA-N 2 1 282.457 2.158 20 0 CEADMP CCCCCNC(=O)CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000246240891 370935029 /nfs/dbraw/zinc/93/50/29/370935029.db2.gz HTIWSTWDGNGPOY-GJZGRUSLSA-N 2 1 292.427 2.072 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc(-c2ccncc2)s1 ZINC000346673118 368763086 /nfs/dbraw/zinc/76/30/86/368763086.db2.gz HXLAKUKHWQVFKD-VXGBXAGGSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000346642126 368746724 /nfs/dbraw/zinc/74/67/24/368746724.db2.gz BTDUOFPOUGPJFO-RYUDHWBXSA-N 2 1 290.436 2.318 20 0 CEADMP Cc1ccc2ncc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)n2c1 ZINC000346650464 368751992 /nfs/dbraw/zinc/75/19/92/368751992.db2.gz CIRLOBOEIMTZFY-OAHLLOKOSA-N 2 1 274.412 2.448 20 0 CEADMP Cc1ccc2ncc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)n2c1 ZINC000346650464 368751997 /nfs/dbraw/zinc/75/19/97/368751997.db2.gz CIRLOBOEIMTZFY-OAHLLOKOSA-N 2 1 274.412 2.448 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cccc2c1OCCO2 ZINC000346655271 368754630 /nfs/dbraw/zinc/75/46/30/368754630.db2.gz FVIMLLNERORVFN-CQSZACIVSA-N 2 1 278.396 2.263 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc2c1OCCO2 ZINC000346655271 368754632 /nfs/dbraw/zinc/75/46/32/368754632.db2.gz FVIMLLNERORVFN-CQSZACIVSA-N 2 1 278.396 2.263 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634678860 368809829 /nfs/dbraw/zinc/80/98/29/368809829.db2.gz FJLKXQFOAKUHPL-OCCSQVGLSA-N 2 1 265.401 2.375 20 0 CEADMP CC(C)CNC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688224 368843689 /nfs/dbraw/zinc/84/36/89/368843689.db2.gz COJIVHRUANDHHQ-GJZGRUSLSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)CNC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185688224 368843692 /nfs/dbraw/zinc/84/36/92/368843692.db2.gz COJIVHRUANDHHQ-GJZGRUSLSA-N 2 1 295.471 2.001 20 0 CEADMP C[N@@H+](Cc1cccc2ncccc12)C1CC[NH2+]CC1 ZINC000634687530 368815688 /nfs/dbraw/zinc/81/56/88/368815688.db2.gz OKPFGZIEOKIQRZ-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP Cn1c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)nc2ccccc21 ZINC000634733026 368844213 /nfs/dbraw/zinc/84/42/13/368844213.db2.gz VJPSALJNNDAIHG-CYBMUJFWSA-N 2 1 286.423 2.441 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)[C@H](C)C1 ZINC000634733401 368844620 /nfs/dbraw/zinc/84/46/20/368844620.db2.gz DYYHGDRVSCTUFT-ILXRZTDVSA-N 2 1 267.461 2.085 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)[C@H](C)C1 ZINC000634733401 368844624 /nfs/dbraw/zinc/84/46/24/368844624.db2.gz DYYHGDRVSCTUFT-ILXRZTDVSA-N 3 1 267.461 2.085 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)[C@H](C)C1 ZINC000634733401 368844628 /nfs/dbraw/zinc/84/46/28/368844628.db2.gz DYYHGDRVSCTUFT-ILXRZTDVSA-N 3 1 267.461 2.085 20 0 CEADMP O[C@@]1(C[NH2+][C@@H]2C[C@H]2C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634713245 368834869 /nfs/dbraw/zinc/83/48/69/368834869.db2.gz SMWYAJDKPYXEFP-RCCFBDPRSA-N 2 1 286.419 2.012 20 0 CEADMP O[C@@]1(C[NH2+][C@@H]2C[C@H]2C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713245 368834873 /nfs/dbraw/zinc/83/48/73/368834873.db2.gz SMWYAJDKPYXEFP-RCCFBDPRSA-N 2 1 286.419 2.012 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000347153262 368800676 /nfs/dbraw/zinc/80/06/76/368800676.db2.gz CAONFQFGQFPLBW-GFCCVEGCSA-N 2 1 264.417 2.139 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000347153262 368800681 /nfs/dbraw/zinc/80/06/81/368800681.db2.gz CAONFQFGQFPLBW-GFCCVEGCSA-N 2 1 264.417 2.139 20 0 CEADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1c(C)nn(C)c1C ZINC000348049970 368875133 /nfs/dbraw/zinc/87/51/33/368875133.db2.gz RAIRNRQIGCHNLE-AWEZNQCLSA-N 2 1 275.400 2.283 20 0 CEADMP CC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccn(C)n1 ZINC000635010335 369047201 /nfs/dbraw/zinc/04/72/01/369047201.db2.gz JSYHCFQHHQWXPD-QWHCGFSZSA-N 2 1 264.417 2.239 20 0 CEADMP CC[N@@H+](CCC[NH2+][C@@H]1CCNC(=O)CC1)C1CCCCC1 ZINC000634984962 369014762 /nfs/dbraw/zinc/01/47/62/369014762.db2.gz HIMHCVJHLOZEID-HNNXBMFYSA-N 2 1 295.471 2.289 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cncn1C ZINC000348362955 369017872 /nfs/dbraw/zinc/01/78/72/369017872.db2.gz DFTFXBQTGGVFJF-ZBFHGGJFSA-N 2 1 278.444 2.410 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634990802 369020355 /nfs/dbraw/zinc/02/03/55/369020355.db2.gz CWLSGFZIXQBKPE-CQSZACIVSA-N 2 1 296.418 2.372 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634990802 369020357 /nfs/dbraw/zinc/02/03/57/369020357.db2.gz CWLSGFZIXQBKPE-CQSZACIVSA-N 2 1 296.418 2.372 20 0 CEADMP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993261 369022811 /nfs/dbraw/zinc/02/28/11/369022811.db2.gz OYMYAYCGXLTAOX-BFHRDPOASA-N 2 1 285.435 2.469 20 0 CEADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993261 369022814 /nfs/dbraw/zinc/02/28/14/369022814.db2.gz OYMYAYCGXLTAOX-BFHRDPOASA-N 2 1 285.435 2.469 20 0 CEADMP CC[N@@H+](CCCNCC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000634996188 369024824 /nfs/dbraw/zinc/02/48/24/369024824.db2.gz CDDKGBPHPSZOLF-UHFFFAOYSA-N 2 1 279.472 2.373 20 0 CEADMP Cc1ncc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1-c1ccccc1 ZINC000634998263 369029326 /nfs/dbraw/zinc/02/93/26/369029326.db2.gz CQIMPTSKYFBGRT-UKRRQHHQSA-N 2 1 284.407 2.207 20 0 CEADMP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cnccc1N ZINC000635004887 369041500 /nfs/dbraw/zinc/04/15/00/369041500.db2.gz GCVKNASZKVUFJC-UKRRQHHQSA-N 2 1 284.407 2.105 20 0 CEADMP c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000635005603 369041971 /nfs/dbraw/zinc/04/19/71/369041971.db2.gz VOQIDADKJAEVNX-UHFFFAOYSA-N 3 1 285.435 2.049 20 0 CEADMP Fc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1F ZINC000635006039 369042693 /nfs/dbraw/zinc/04/26/93/369042693.db2.gz AMXRQLAIMBAGAB-BPLDGKMQSA-N 2 1 296.361 2.212 20 0 CEADMP Fc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1F ZINC000635006043 369042973 /nfs/dbraw/zinc/04/29/73/369042973.db2.gz AMXRQLAIMBAGAB-VHDGCEQUSA-N 2 1 296.361 2.212 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cc2n(n1)CCC2 ZINC000635007842 369043919 /nfs/dbraw/zinc/04/39/19/369043919.db2.gz PSDYMTYUZXAJHG-GOEBONIOSA-N 2 1 298.434 2.440 20 0 CEADMP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cc2n(n1)CCC2 ZINC000635007831 369044362 /nfs/dbraw/zinc/04/43/62/369044362.db2.gz PSDYMTYUZXAJHG-GDBMZVCRSA-N 2 1 298.434 2.440 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccnn1C ZINC000348305339 368994045 /nfs/dbraw/zinc/99/40/45/368994045.db2.gz WDULQCITOIVLLO-GDBMZVCRSA-N 2 1 278.444 2.410 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000635014241 369053288 /nfs/dbraw/zinc/05/32/88/369053288.db2.gz ZLKCMOJBAVLCEC-BPQIPLTHSA-N 2 1 287.451 2.157 20 0 CEADMP C[C@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[NH+](C)C ZINC000348695103 369123183 /nfs/dbraw/zinc/12/31/83/369123183.db2.gz IZXSROQBWHERRZ-BXUZGUMPSA-N 2 1 297.830 2.009 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000348641914 369109573 /nfs/dbraw/zinc/10/95/73/369109573.db2.gz MMUAEQZWLWKSGX-CFVMTHIKSA-N 2 1 275.396 2.368 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000348641914 369109579 /nfs/dbraw/zinc/10/95/79/369109579.db2.gz MMUAEQZWLWKSGX-CFVMTHIKSA-N 2 1 275.396 2.368 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CC(C(F)(F)F)C2)CC1 ZINC000348753750 369142607 /nfs/dbraw/zinc/14/26/07/369142607.db2.gz IZPMVBXGQPQTJX-UHFFFAOYSA-N 2 1 250.308 2.401 20 0 CEADMP COC[C@@H](C)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000187347098 369144125 /nfs/dbraw/zinc/14/41/25/369144125.db2.gz WXXWULDVMLPTFA-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000348894744 369193399 /nfs/dbraw/zinc/19/33/99/369193399.db2.gz PIVHSADKGKNZBT-CVEARBPZSA-N 2 1 288.391 2.190 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000348894744 369193405 /nfs/dbraw/zinc/19/34/05/369193405.db2.gz PIVHSADKGKNZBT-CVEARBPZSA-N 2 1 288.391 2.190 20 0 CEADMP COCC1=CC[N@H+](CCCCn2cc[nH+]c2C)CC1 ZINC000187689736 369204405 /nfs/dbraw/zinc/20/44/05/369204405.db2.gz CJFMELMIWASCKN-UHFFFAOYSA-N 2 1 263.385 2.250 20 0 CEADMP COCC1=CC[N@@H+](CCCCn2cc[nH+]c2C)CC1 ZINC000187689736 369204406 /nfs/dbraw/zinc/20/44/06/369204406.db2.gz CJFMELMIWASCKN-UHFFFAOYSA-N 2 1 263.385 2.250 20 0 CEADMP CC[C@@]1([NH2+]CCCCn2cc[nH+]c2C)CCOC1 ZINC000683041339 541756203 /nfs/dbraw/zinc/75/62/03/541756203.db2.gz JJIQCTDFKSMVTL-CQSZACIVSA-N 2 1 251.374 2.130 20 0 CEADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635651866 369268997 /nfs/dbraw/zinc/26/89/97/369268997.db2.gz LZJUSOVIMRHWNI-HNNXBMFYSA-N 2 1 289.423 2.337 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc2c[nH]nc21 ZINC000349354880 369307944 /nfs/dbraw/zinc/30/79/44/369307944.db2.gz UMJHUORLIFWJDW-UHFFFAOYSA-N 2 1 260.385 2.337 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000635739788 369317115 /nfs/dbraw/zinc/31/71/15/369317115.db2.gz DKSPEYZYEPVZBN-AWEZNQCLSA-N 2 1 289.423 2.337 20 0 CEADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000349401560 369319544 /nfs/dbraw/zinc/31/95/44/369319544.db2.gz DVYJNUQXGUPCQM-SJLPKXTDSA-N 2 1 288.435 2.337 20 0 CEADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000349401560 369319549 /nfs/dbraw/zinc/31/95/49/369319549.db2.gz DVYJNUQXGUPCQM-SJLPKXTDSA-N 2 1 288.435 2.337 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccns2)CC1 ZINC000639080546 370953297 /nfs/dbraw/zinc/95/32/97/370953297.db2.gz BPUOEGBBOFEIEA-UHFFFAOYSA-N 2 1 251.399 2.203 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccns2)CC1 ZINC000639080546 370953300 /nfs/dbraw/zinc/95/33/00/370953300.db2.gz BPUOEGBBOFEIEA-UHFFFAOYSA-N 2 1 251.399 2.203 20 0 CEADMP CO[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)CC[C@@H]1C ZINC000189252941 369484544 /nfs/dbraw/zinc/48/45/44/369484544.db2.gz WYMGTBJDCMHNMG-DZGCQCFKSA-N 2 1 265.401 2.329 20 0 CEADMP CO[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CC[C@@H]1C ZINC000189252941 369484547 /nfs/dbraw/zinc/48/45/47/369484547.db2.gz WYMGTBJDCMHNMG-DZGCQCFKSA-N 2 1 265.401 2.329 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000358234502 370963782 /nfs/dbraw/zinc/96/37/82/370963782.db2.gz GFGSXWLZAGRCNE-JKSUJKDBSA-N 2 1 298.471 2.281 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000358234500 370964123 /nfs/dbraw/zinc/96/41/23/370964123.db2.gz GFGSXWLZAGRCNE-HOTGVXAUSA-N 2 1 298.471 2.281 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@@H](C)[NH+](C)C)C1CCCCC1 ZINC000636121498 369522089 /nfs/dbraw/zinc/52/20/89/369522089.db2.gz LHDJDJVFSNIPAY-CQSZACIVSA-N 2 1 283.460 2.097 20 0 CEADMP Cc1ncccc1Cc1noc([C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC000351235580 369629079 /nfs/dbraw/zinc/62/90/79/369629079.db2.gz OHKZKCVMMGRYGN-MFKMUULPSA-N 2 1 272.352 2.029 20 0 CEADMP CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000352400023 369710658 /nfs/dbraw/zinc/71/06/58/369710658.db2.gz OITCAVVDRRSGBB-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@](CC)(CO)C1 ZINC000191841185 369746393 /nfs/dbraw/zinc/74/63/93/369746393.db2.gz SKZAUCITGDHIKN-HNNXBMFYSA-N 2 1 256.434 2.203 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352526369 369774088 /nfs/dbraw/zinc/77/40/88/369774088.db2.gz MYEYKOOPHVMANK-OAHLLOKOSA-N 2 1 264.417 2.476 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352526369 369774091 /nfs/dbraw/zinc/77/40/91/369774091.db2.gz MYEYKOOPHVMANK-OAHLLOKOSA-N 2 1 264.417 2.476 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000352539824 369777534 /nfs/dbraw/zinc/77/75/34/369777534.db2.gz DCCWLZQMJTXCOB-CYBMUJFWSA-N 2 1 262.353 2.119 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc2c1OCO2 ZINC000352539824 369777537 /nfs/dbraw/zinc/77/75/37/369777537.db2.gz DCCWLZQMJTXCOB-CYBMUJFWSA-N 2 1 262.353 2.119 20 0 CEADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352741967 369863659 /nfs/dbraw/zinc/86/36/59/369863659.db2.gz KLDBFJCLTLSXBU-CHWSQXEVSA-N 2 1 297.468 2.500 20 0 CEADMP Cc1cnccc1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352759266 369870936 /nfs/dbraw/zinc/87/09/36/369870936.db2.gz JXSRQJDXWQBTMS-UHFFFAOYSA-N 2 1 290.436 2.240 20 0 CEADMP CN(CC[C@H]1CCC[N@H+]1C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352925358 369951611 /nfs/dbraw/zinc/95/16/11/369951611.db2.gz OPMVURHWJXMYOS-JZWPEALZSA-N 2 1 265.445 2.028 20 0 CEADMP CN(CC[C@H]1CCC[NH+]1C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352925358 369951613 /nfs/dbraw/zinc/95/16/13/369951613.db2.gz OPMVURHWJXMYOS-JZWPEALZSA-N 2 1 265.445 2.028 20 0 CEADMP CN(CC[C@H]1CCC[NH+]1C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352925358 369951614 /nfs/dbraw/zinc/95/16/14/369951614.db2.gz OPMVURHWJXMYOS-JZWPEALZSA-N 2 1 265.445 2.028 20 0 CEADMP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000193969206 369996003 /nfs/dbraw/zinc/99/60/03/369996003.db2.gz AMSVFGBAOIZXAD-RKTXRCNFSA-N 2 1 290.451 2.408 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000417766167 376199688 /nfs/dbraw/zinc/19/96/88/376199688.db2.gz AADOIDYMERYNNW-LUKYLMHMSA-N 2 1 256.393 2.474 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000417766167 376199697 /nfs/dbraw/zinc/19/96/97/376199697.db2.gz AADOIDYMERYNNW-LUKYLMHMSA-N 2 1 256.393 2.474 20 0 CEADMP C[N@@H+](C[C@@H](O)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353140982 370036800 /nfs/dbraw/zinc/03/68/00/370036800.db2.gz CCNBCQLJZRXWMS-WFFDWFOESA-N 2 1 288.435 2.147 20 0 CEADMP C[NH+](C[C@@H](O)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353140982 370036802 /nfs/dbraw/zinc/03/68/02/370036802.db2.gz CCNBCQLJZRXWMS-WFFDWFOESA-N 2 1 288.435 2.147 20 0 CEADMP C[NH+](C[C@@H](O)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353140982 370036807 /nfs/dbraw/zinc/03/68/07/370036807.db2.gz CCNBCQLJZRXWMS-WFFDWFOESA-N 2 1 288.435 2.147 20 0 CEADMP C[C@H]1C[C@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000353152647 370041653 /nfs/dbraw/zinc/04/16/53/370041653.db2.gz LVUZIQZDUSJLOR-QWHCGFSZSA-N 2 1 263.385 2.052 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCO1 ZINC000353152436 370042114 /nfs/dbraw/zinc/04/21/14/370042114.db2.gz WPIDPYZBQZQXKT-AFLMIKJESA-N 2 1 266.429 2.359 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000353152436 370042118 /nfs/dbraw/zinc/04/21/18/370042118.db2.gz WPIDPYZBQZQXKT-AFLMIKJESA-N 2 1 266.429 2.359 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000353152436 370042121 /nfs/dbraw/zinc/04/21/21/370042121.db2.gz WPIDPYZBQZQXKT-AFLMIKJESA-N 2 1 266.429 2.359 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353017557 369984018 /nfs/dbraw/zinc/98/40/18/369984018.db2.gz CTPHMQCVVQSPNA-LBPRGKRZSA-N 2 1 273.327 2.143 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353017557 369984020 /nfs/dbraw/zinc/98/40/20/369984020.db2.gz CTPHMQCVVQSPNA-LBPRGKRZSA-N 2 1 273.327 2.143 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C[NH+]1CCCC1 ZINC000353439747 370113544 /nfs/dbraw/zinc/11/35/44/370113544.db2.gz INSYRPRVYDOBRO-YYIAUSFCSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C[NH+]1CCCC1 ZINC000353439747 370113546 /nfs/dbraw/zinc/11/35/46/370113546.db2.gz INSYRPRVYDOBRO-YYIAUSFCSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C[NH+]1CCCC1 ZINC000353439747 370113549 /nfs/dbraw/zinc/11/35/49/370113549.db2.gz INSYRPRVYDOBRO-YYIAUSFCSA-N 3 1 279.472 2.181 20 0 CEADMP C[N@H+](CC(=O)N1CC[NH2+]Cc2ccccc21)CC(C)(C)C ZINC000637830444 370098754 /nfs/dbraw/zinc/09/87/54/370098754.db2.gz ZMPANVYPESSZME-UHFFFAOYSA-N 2 1 289.423 2.101 20 0 CEADMP C[N@@H+](CC(=O)N1CC[NH2+]Cc2ccccc21)CC(C)(C)C ZINC000637830444 370098762 /nfs/dbraw/zinc/09/87/62/370098762.db2.gz ZMPANVYPESSZME-UHFFFAOYSA-N 2 1 289.423 2.101 20 0 CEADMP CC[C@H](C)[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)OC ZINC000637930250 370178684 /nfs/dbraw/zinc/17/86/84/370178684.db2.gz LPRDQQJHTCYNEE-KKUMJFAQSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)OC ZINC000637930250 370178690 /nfs/dbraw/zinc/17/86/90/370178690.db2.gz LPRDQQJHTCYNEE-KKUMJFAQSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)OC ZINC000637930250 370178695 /nfs/dbraw/zinc/17/86/95/370178695.db2.gz LPRDQQJHTCYNEE-KKUMJFAQSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000353667146 370122465 /nfs/dbraw/zinc/12/24/65/370122465.db2.gz FZTVQTCYGUBJIG-HZPDHXFCSA-N 2 1 289.423 2.067 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000353667146 370122470 /nfs/dbraw/zinc/12/24/70/370122470.db2.gz FZTVQTCYGUBJIG-HZPDHXFCSA-N 2 1 289.423 2.067 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000353911891 370133182 /nfs/dbraw/zinc/13/31/82/370133182.db2.gz HAYPBUXOCGCMSI-KBPBESRZSA-N 2 1 284.444 2.428 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000353911891 370133185 /nfs/dbraw/zinc/13/31/85/370133185.db2.gz HAYPBUXOCGCMSI-KBPBESRZSA-N 2 1 284.444 2.428 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000353917059 370134213 /nfs/dbraw/zinc/13/42/13/370134213.db2.gz QUUNKTLOUCCBDL-APIJFGDWSA-N 2 1 284.444 2.284 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1C ZINC000353924383 370137300 /nfs/dbraw/zinc/13/73/00/370137300.db2.gz BXOPBDVIUDWJGV-JKJDWNRSSA-N 2 1 294.439 2.181 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000353926885 370139896 /nfs/dbraw/zinc/13/98/96/370139896.db2.gz HGOPSYPPRGFAOY-ZIAGYGMSSA-N 2 1 284.444 2.286 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000353926885 370139902 /nfs/dbraw/zinc/13/99/02/370139902.db2.gz HGOPSYPPRGFAOY-ZIAGYGMSSA-N 2 1 284.444 2.286 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000354096555 370214600 /nfs/dbraw/zinc/21/46/00/370214600.db2.gz KDWRVSLCMOJTAZ-INIZCTEOSA-N 2 1 277.412 2.014 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@](C)(OC)C2CC2)C1 ZINC000638122107 370318604 /nfs/dbraw/zinc/31/86/04/370318604.db2.gz HXRFNYOZYCBMSW-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000223555795 370266642 /nfs/dbraw/zinc/26/66/42/370266642.db2.gz ZGDKSKVEZLVTND-CMPLNLGQSA-N 2 1 252.333 2.091 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCC(C)C ZINC000638117307 370314627 /nfs/dbraw/zinc/31/46/27/370314627.db2.gz SXPZWWKPMRLJFI-LSDHHAIUSA-N 2 1 283.460 2.131 20 0 CEADMP CO[C@@H](C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)C1CCOCC1 ZINC000638117883 370315473 /nfs/dbraw/zinc/31/54/73/370315473.db2.gz PKRXSEWZCBADAD-IRXDYDNUSA-N 2 1 298.471 2.234 20 0 CEADMP CO[C@@H](C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)C1CCOCC1 ZINC000638117883 370315474 /nfs/dbraw/zinc/31/54/74/370315474.db2.gz PKRXSEWZCBADAD-IRXDYDNUSA-N 2 1 298.471 2.234 20 0 CEADMP CO[C@@H](C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)C1CCOCC1 ZINC000638117883 370315475 /nfs/dbraw/zinc/31/54/75/370315475.db2.gz PKRXSEWZCBADAD-IRXDYDNUSA-N 2 1 298.471 2.234 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC1CCSCC1 ZINC000638184208 370362487 /nfs/dbraw/zinc/36/24/87/370362487.db2.gz XZCMOWSVMJXSTE-OAGGEKHMSA-N 2 1 298.496 2.313 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC(C(F)F)C2)CCCO1 ZINC000683363700 541797224 /nfs/dbraw/zinc/79/72/24/541797224.db2.gz RXTJXJRKFXGXDO-PNESKVBLSA-N 2 1 276.371 2.121 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC(C(F)F)C2)CCCO1 ZINC000683363700 541797227 /nfs/dbraw/zinc/79/72/27/541797227.db2.gz RXTJXJRKFXGXDO-PNESKVBLSA-N 2 1 276.371 2.121 20 0 CEADMP C[N@@H+](CCOc1ccccc1F)C[C@@H]1CCC[NH2+]C1 ZINC000226435244 370342926 /nfs/dbraw/zinc/34/29/26/370342926.db2.gz VUZIBTDSBGDATN-CYBMUJFWSA-N 2 1 266.360 2.136 20 0 CEADMP Cc1ccc2[nH+]ccc(NCC[N@H+]3CCOC[C@H]3C)c2c1 ZINC000354604729 370430161 /nfs/dbraw/zinc/43/01/61/370430161.db2.gz NXDNHAJTAZIDOX-CQSZACIVSA-N 2 1 285.391 2.098 20 0 CEADMP Cc1ccc2[nH+]ccc(NCC[N@@H+]3CCOC[C@H]3C)c2c1 ZINC000354604729 370430170 /nfs/dbraw/zinc/43/01/70/370430170.db2.gz NXDNHAJTAZIDOX-CQSZACIVSA-N 2 1 285.391 2.098 20 0 CEADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000354648803 370450973 /nfs/dbraw/zinc/45/09/73/370450973.db2.gz NKVJBUZZRHEXQB-XHSDSOJGSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000354648803 370450978 /nfs/dbraw/zinc/45/09/78/370450978.db2.gz NKVJBUZZRHEXQB-XHSDSOJGSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(CO)cc1 ZINC000638335582 370453484 /nfs/dbraw/zinc/45/34/84/370453484.db2.gz PCJPLDHZTKNCAZ-ZDUSSCGKSA-N 2 1 273.380 2.110 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)OC ZINC000638358576 370468053 /nfs/dbraw/zinc/46/80/53/370468053.db2.gz FUVUSGYPYHXTAO-KCQAQPDRSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)C(C)C)[NH+]1CCCCC1 ZINC000354701636 370471514 /nfs/dbraw/zinc/47/15/14/370471514.db2.gz XKRBSKZMHCLVIW-INIZCTEOSA-N 2 1 297.487 2.343 20 0 CEADMP CCOC1CC(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000638367665 370476895 /nfs/dbraw/zinc/47/68/95/370476895.db2.gz GCDSBCAEBIOYJM-WUCCLRPBSA-N 2 1 252.402 2.018 20 0 CEADMP CCOC1CC(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000638367665 370476899 /nfs/dbraw/zinc/47/68/99/370476899.db2.gz GCDSBCAEBIOYJM-WUCCLRPBSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1ccc(CCC[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cn1 ZINC000354626232 370439472 /nfs/dbraw/zinc/43/94/72/370439472.db2.gz HGVCHANYKYTKMF-DLBZAZTESA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000354626232 370439476 /nfs/dbraw/zinc/43/94/76/370439476.db2.gz HGVCHANYKYTKMF-DLBZAZTESA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cn1 ZINC000354626232 370439481 /nfs/dbraw/zinc/43/94/81/370439481.db2.gz HGVCHANYKYTKMF-DLBZAZTESA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cn1 ZINC000354626232 370439484 /nfs/dbraw/zinc/43/94/84/370439484.db2.gz HGVCHANYKYTKMF-DLBZAZTESA-N 2 1 273.424 2.349 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000232775264 370511632 /nfs/dbraw/zinc/51/16/32/370511632.db2.gz DWZGJNBUZSQDLK-CYBMUJFWSA-N 2 1 250.390 2.025 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000232774747 370511933 /nfs/dbraw/zinc/51/19/33/370511933.db2.gz DWZGJNBUZSQDLK-ZDUSSCGKSA-N 2 1 250.390 2.025 20 0 CEADMP CCOC1CC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000638378496 370485477 /nfs/dbraw/zinc/48/54/77/370485477.db2.gz XLBVQRFXHZZOFV-RAFNIBEQSA-N 2 1 252.402 2.018 20 0 CEADMP CCOC1CC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000638378495 370485524 /nfs/dbraw/zinc/48/55/24/370485524.db2.gz XLBVQRFXHZZOFV-PIOWNMBXSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)cccc2OC)C1 ZINC000638381325 370486502 /nfs/dbraw/zinc/48/65/02/370486502.db2.gz KAJPUNKQAXASHK-AWEZNQCLSA-N 2 1 262.397 2.435 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC1(F)F ZINC000638557740 370604717 /nfs/dbraw/zinc/60/47/17/370604717.db2.gz KSWALOHEXPOWRY-OLZOCXBDSA-N 2 1 288.382 2.265 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000235415851 370565129 /nfs/dbraw/zinc/56/51/29/370565129.db2.gz BKSYLPKMUSUGLF-INIZCTEOSA-N 2 1 255.365 2.406 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000356280572 370639372 /nfs/dbraw/zinc/63/93/72/370639372.db2.gz MVTIPRPNNXRUDB-CQSZACIVSA-N 2 1 283.460 2.096 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000247015238 371046393 /nfs/dbraw/zinc/04/63/93/371046393.db2.gz LMEFTTRQSABJRR-GDZNZVCISA-N 2 1 289.423 2.463 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000247015238 371046403 /nfs/dbraw/zinc/04/64/03/371046403.db2.gz LMEFTTRQSABJRR-GDZNZVCISA-N 2 1 289.423 2.463 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000247022891 371048062 /nfs/dbraw/zinc/04/80/62/371048062.db2.gz NBGDATQRKOAMTR-KKUMJFAQSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1C ZINC000246874020 371024033 /nfs/dbraw/zinc/02/40/33/371024033.db2.gz DCXKPWTWKYFJIY-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1C ZINC000246874020 371024039 /nfs/dbraw/zinc/02/40/39/371024039.db2.gz DCXKPWTWKYFJIY-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1C ZINC000246874020 371024048 /nfs/dbraw/zinc/02/40/48/371024048.db2.gz DCXKPWTWKYFJIY-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2O)[C@@H](C)C1 ZINC000246932935 371033501 /nfs/dbraw/zinc/03/35/01/371033501.db2.gz HCADDICHPGIHAV-ZFWWWQNUSA-N 2 1 262.397 2.255 20 0 CEADMP CO[C@](C)(C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000639163470 371036779 /nfs/dbraw/zinc/03/67/79/371036779.db2.gz VSVAPTBCQCXQPE-VFSICIBPSA-N 2 1 266.429 2.359 20 0 CEADMP CO[C@](C)(C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000639163470 371036783 /nfs/dbraw/zinc/03/67/83/371036783.db2.gz VSVAPTBCQCXQPE-VFSICIBPSA-N 2 1 266.429 2.359 20 0 CEADMP CO[C@](C)(C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000639163470 371036785 /nfs/dbraw/zinc/03/67/85/371036785.db2.gz VSVAPTBCQCXQPE-VFSICIBPSA-N 2 1 266.429 2.359 20 0 CEADMP CCOC1CC(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000639169094 371041349 /nfs/dbraw/zinc/04/13/49/371041349.db2.gz CATUJJCHMFNEND-NFOMZHRRSA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCNc2cccc(C)n2)[C@H](C)C1 ZINC000358386840 371043401 /nfs/dbraw/zinc/04/34/01/371043401.db2.gz TWOSKZQVNNBCSW-HIFRSBDPSA-N 2 1 276.428 2.122 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000247066356 371058163 /nfs/dbraw/zinc/05/81/63/371058163.db2.gz PXZZFUXQJQUPAH-HOCLYGCPSA-N 3 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000247066356 371058169 /nfs/dbraw/zinc/05/81/69/371058169.db2.gz PXZZFUXQJQUPAH-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000639179105 371058500 /nfs/dbraw/zinc/05/85/00/371058500.db2.gz RQHAQZARWIDREE-OAGGEKHMSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000639179105 371058504 /nfs/dbraw/zinc/05/85/04/371058504.db2.gz RQHAQZARWIDREE-OAGGEKHMSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000639179105 371058507 /nfs/dbraw/zinc/05/85/07/371058507.db2.gz RQHAQZARWIDREE-OAGGEKHMSA-N 2 1 268.445 2.464 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639189793 371070352 /nfs/dbraw/zinc/07/03/52/371070352.db2.gz QZAZMPPUYLKSMC-QLFBSQMISA-N 2 1 283.460 2.144 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639189793 371070355 /nfs/dbraw/zinc/07/03/55/371070355.db2.gz QZAZMPPUYLKSMC-QLFBSQMISA-N 2 1 283.460 2.144 20 0 CEADMP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](CO)C(C)C ZINC000639246941 371144488 /nfs/dbraw/zinc/14/44/88/371144488.db2.gz PUNMACWGVAJSRC-XUWVNRHRSA-N 2 1 270.461 2.348 20 0 CEADMP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](CO)C(C)C ZINC000639246941 371144493 /nfs/dbraw/zinc/14/44/93/371144493.db2.gz PUNMACWGVAJSRC-XUWVNRHRSA-N 2 1 270.461 2.348 20 0 CEADMP CC(C)C[N@@H+](C)CCCNCc1cccc(F)c1N ZINC000639289273 371191196 /nfs/dbraw/zinc/19/11/96/371191196.db2.gz LELBCFJWCZITRO-UHFFFAOYSA-N 2 1 267.392 2.475 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc(F)c1N ZINC000639289273 371191201 /nfs/dbraw/zinc/19/12/01/371191201.db2.gz LELBCFJWCZITRO-UHFFFAOYSA-N 2 1 267.392 2.475 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc(F)c1N ZINC000639289273 371191208 /nfs/dbraw/zinc/19/12/08/371191208.db2.gz LELBCFJWCZITRO-UHFFFAOYSA-N 2 1 267.392 2.475 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000249106045 371294859 /nfs/dbraw/zinc/29/48/59/371294859.db2.gz PJJFJOCRVWMWNF-VNQPRFMTSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000249106045 371294863 /nfs/dbraw/zinc/29/48/63/371294863.db2.gz PJJFJOCRVWMWNF-VNQPRFMTSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@@H](C)O2)[C@@H](C)C1 ZINC000248885287 371263092 /nfs/dbraw/zinc/26/30/92/371263092.db2.gz HBCXBFQEOJIXLX-XGUBFFRZSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[C@@H](C)O2)[C@@H](C)C1 ZINC000248885287 371263094 /nfs/dbraw/zinc/26/30/94/371263094.db2.gz HBCXBFQEOJIXLX-XGUBFFRZSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[C@@H](C)O2)[C@@H](C)C1 ZINC000248885287 371263096 /nfs/dbraw/zinc/26/30/96/371263096.db2.gz HBCXBFQEOJIXLX-XGUBFFRZSA-N 2 1 254.418 2.216 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000639489410 371357377 /nfs/dbraw/zinc/35/73/77/371357377.db2.gz PJNCZCMNTKWUOQ-AWEZNQCLSA-N 2 1 274.408 2.143 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000639501164 371365205 /nfs/dbraw/zinc/36/52/05/371365205.db2.gz SYGDCYAZZOFSEO-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1OCC[C@H]1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000639501164 371365209 /nfs/dbraw/zinc/36/52/09/371365209.db2.gz SYGDCYAZZOFSEO-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1OCC[C@H]1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000639501164 371365214 /nfs/dbraw/zinc/36/52/14/371365214.db2.gz SYGDCYAZZOFSEO-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250716155 371390059 /nfs/dbraw/zinc/39/00/59/371390059.db2.gz UAVVNCFIZYJOJY-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP C(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000250862999 371393345 /nfs/dbraw/zinc/39/33/45/371393345.db2.gz QRQCRKOMEJGNBL-CVEARBPZSA-N 2 1 265.445 2.079 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000251363112 371400429 /nfs/dbraw/zinc/40/04/29/371400429.db2.gz DQTWVUYRYCZOKM-IRXDYDNUSA-N 2 1 275.440 2.349 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000251382713 371400747 /nfs/dbraw/zinc/40/07/47/371400747.db2.gz ZORJJTFLFGZZAQ-YCPHGPKFSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000251693208 371412074 /nfs/dbraw/zinc/41/20/74/371412074.db2.gz AXOQDMPMVIQKAP-LXTVHRRPSA-N 2 1 254.418 2.262 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCS1 ZINC000359189760 371370053 /nfs/dbraw/zinc/37/00/53/371370053.db2.gz MHYGFYYHYXSJRB-AWEZNQCLSA-N 2 1 256.459 2.450 20 0 CEADMP CCN1CCC([N@@H+](C)C[C@H]2CC(C)(C)CO2)CC1 ZINC000639510255 371372667 /nfs/dbraw/zinc/37/26/67/371372667.db2.gz ZNGVHJGPCDKGEV-CQSZACIVSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CC(C)(C)CO2)CC1 ZINC000639510255 371372680 /nfs/dbraw/zinc/37/26/80/371372680.db2.gz ZNGVHJGPCDKGEV-CQSZACIVSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359217593 371380398 /nfs/dbraw/zinc/38/03/98/371380398.db2.gz SKGNOGIOCXGQJK-MRXNPFEDSA-N 3 1 267.461 2.040 20 0 CEADMP C[NH+](C)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])c1cccs1 ZINC000250355370 371382397 /nfs/dbraw/zinc/38/23/97/371382397.db2.gz NBEKRVNITJUZIP-RWMBFGLXSA-N 2 1 267.442 2.068 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(C)n1 ZINC000359226576 371384629 /nfs/dbraw/zinc/38/46/29/371384629.db2.gz NOWNPYKOJJJXOQ-AWEZNQCLSA-N 2 1 277.412 2.091 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(C)n1 ZINC000359226576 371384637 /nfs/dbraw/zinc/38/46/37/371384637.db2.gz NOWNPYKOJJJXOQ-AWEZNQCLSA-N 2 1 277.412 2.091 20 0 CEADMP CC(C)n1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000252859697 371484255 /nfs/dbraw/zinc/48/42/55/371484255.db2.gz MOAXOICTPNSORK-QEJZJMRPSA-N 2 1 262.401 2.023 20 0 CEADMP CC(C)n1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000252859697 371484260 /nfs/dbraw/zinc/48/42/60/371484260.db2.gz MOAXOICTPNSORK-QEJZJMRPSA-N 2 1 262.401 2.023 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000359368755 371450738 /nfs/dbraw/zinc/45/07/38/371450738.db2.gz FJHRVCRPXWTJRM-SJORKVTESA-N 2 1 279.472 2.182 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252548262 371455481 /nfs/dbraw/zinc/45/54/81/371455481.db2.gz MIEXJTZITCVDFG-QPSCCSFWSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252548262 371455484 /nfs/dbraw/zinc/45/54/84/371455484.db2.gz MIEXJTZITCVDFG-QPSCCSFWSA-N 2 1 252.402 2.018 20 0 CEADMP Fc1ccc2c(c1)CC[C@@H]2NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252715982 371472124 /nfs/dbraw/zinc/47/21/24/371472124.db2.gz XHMGXPUTCWVTFM-ZOBUZTSGSA-N 2 1 290.382 2.266 20 0 CEADMP Fc1ccc2c(c1)CC[C@@H]2NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252715982 371472127 /nfs/dbraw/zinc/47/21/27/371472127.db2.gz XHMGXPUTCWVTFM-ZOBUZTSGSA-N 2 1 290.382 2.266 20 0 CEADMP CC(C)CCOCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252853115 371482392 /nfs/dbraw/zinc/48/23/92/371482392.db2.gz IYXYEIAEJPPLBE-KKUMJFAQSA-N 2 1 254.418 2.108 20 0 CEADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)sn1 ZINC000639756617 371545856 /nfs/dbraw/zinc/54/58/56/371545856.db2.gz ZDJFJCYHGVFEDX-UHFFFAOYSA-N 2 1 281.425 2.069 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)s1 ZINC000639757827 371547820 /nfs/dbraw/zinc/54/78/20/371547820.db2.gz PTFAYMMONHQXSK-UHFFFAOYSA-N 2 1 265.426 2.369 20 0 CEADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000360933131 371549331 /nfs/dbraw/zinc/54/93/31/371549331.db2.gz JTTBRGMRGFWDHK-ARILJUKYSA-N 2 1 254.418 2.262 20 0 CEADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763635 371551246 /nfs/dbraw/zinc/55/12/46/371551246.db2.gz XICNRLASDCPOMQ-WBVHZDCISA-N 2 1 276.424 2.445 20 0 CEADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762768 371551461 /nfs/dbraw/zinc/55/14/61/371551461.db2.gz NMFLCAWJFYCGEU-TZMCWYRMSA-N 2 1 278.387 2.056 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764512 371553399 /nfs/dbraw/zinc/55/33/99/371553399.db2.gz VWXGMUGPLFPOCO-GDBMZVCRSA-N 2 1 262.397 2.136 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764512 371553406 /nfs/dbraw/zinc/55/34/06/371553406.db2.gz VWXGMUGPLFPOCO-GDBMZVCRSA-N 2 1 262.397 2.136 20 0 CEADMP CCc1ccccc1C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767754 371555194 /nfs/dbraw/zinc/55/51/94/371555194.db2.gz RSXYHDJIHLJNMH-QGZVFWFLSA-N 2 1 276.424 2.138 20 0 CEADMP CCc1ccccc1C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767754 371555201 /nfs/dbraw/zinc/55/52/01/371555201.db2.gz RSXYHDJIHLJNMH-QGZVFWFLSA-N 2 1 276.424 2.138 20 0 CEADMP FC(F)(F)[C@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000414898892 294679336 /nfs/dbraw/zinc/67/93/36/294679336.db2.gz FGQXDNCMOPSETP-AXFHLTTASA-N 2 1 250.308 2.449 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000360954822 371561118 /nfs/dbraw/zinc/56/11/18/371561118.db2.gz HSVWFTKSXWAJTR-GJZGRUSLSA-N 2 1 297.487 2.391 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000360972479 371573075 /nfs/dbraw/zinc/57/30/75/371573075.db2.gz AIQJEJHXAOWHNY-UHFFFAOYSA-N 2 1 264.417 2.348 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639797327 371576888 /nfs/dbraw/zinc/57/68/88/371576888.db2.gz KEZRIBVKMCLEGM-UHFFFAOYSA-N 2 1 285.395 2.104 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639797327 371576895 /nfs/dbraw/zinc/57/68/95/371576895.db2.gz KEZRIBVKMCLEGM-UHFFFAOYSA-N 2 1 285.395 2.104 20 0 CEADMP Clc1cccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261591912 371666294 /nfs/dbraw/zinc/66/62/94/371666294.db2.gz MEGPLLWIGORGHE-QWHCGFSZSA-N 2 1 280.799 2.260 20 0 CEADMP Clc1cccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261591912 371666302 /nfs/dbraw/zinc/66/63/02/371666302.db2.gz MEGPLLWIGORGHE-QWHCGFSZSA-N 2 1 280.799 2.260 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1OC ZINC000261590039 371667393 /nfs/dbraw/zinc/66/73/93/371667393.db2.gz WQWVQMCWSMSFNT-DCAQKATOSA-N 2 1 252.358 2.090 20 0 CEADMP CC[C@@](C)([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(F)cc1 ZINC000639927678 371677119 /nfs/dbraw/zinc/67/71/19/371677119.db2.gz GXENBJVALJIXEK-DLBZAZTESA-N 2 1 294.414 2.496 20 0 CEADMP CC[C@@](C)([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000639927678 371677127 /nfs/dbraw/zinc/67/71/27/371677127.db2.gz GXENBJVALJIXEK-DLBZAZTESA-N 2 1 294.414 2.496 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000261565139 371650579 /nfs/dbraw/zinc/65/05/79/371650579.db2.gz HQRGYWMDTKGSCH-CQSZACIVSA-N 2 1 268.788 2.390 20 0 CEADMP COc1cccc([C@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261575318 371657845 /nfs/dbraw/zinc/65/78/45/371657845.db2.gz BLPKGIUSKTZPJW-BBRMVZONSA-N 2 1 260.381 2.442 20 0 CEADMP Clc1cccc(OCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261578307 371659124 /nfs/dbraw/zinc/65/91/24/371659124.db2.gz DCHPUSGXXUUQDT-OAHLLOKOSA-N 2 1 280.799 2.404 20 0 CEADMP Clc1cccc(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261578307 371659127 /nfs/dbraw/zinc/65/91/27/371659127.db2.gz DCHPUSGXXUUQDT-OAHLLOKOSA-N 2 1 280.799 2.404 20 0 CEADMP Clc1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261577553 371659226 /nfs/dbraw/zinc/65/92/26/371659226.db2.gz CVNIVWOCOJDEAP-WFASDCNBSA-N 2 1 280.799 2.403 20 0 CEADMP Clc1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261577553 371659228 /nfs/dbraw/zinc/65/92/28/371659228.db2.gz CVNIVWOCOJDEAP-WFASDCNBSA-N 2 1 280.799 2.403 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(N)c1 ZINC000261620539 371682028 /nfs/dbraw/zinc/68/20/28/371682028.db2.gz BYPMHPHHBSELOZ-CVEARBPZSA-N 2 1 259.397 2.327 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc2c1CCC2 ZINC000261619150 371682068 /nfs/dbraw/zinc/68/20/68/371682068.db2.gz ULFNHCVVEOZHDM-IRXDYDNUSA-N 2 1 256.393 2.359 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261635633 371686005 /nfs/dbraw/zinc/68/60/05/371686005.db2.gz FIJSBDIINUKNSL-KRWDZBQOSA-N 2 1 291.439 2.202 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000261692868 371702855 /nfs/dbraw/zinc/70/28/55/371702855.db2.gz KTTMYPTUAMVSDG-INIZCTEOSA-N 2 1 288.370 2.387 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000261692868 371702860 /nfs/dbraw/zinc/70/28/60/371702860.db2.gz KTTMYPTUAMVSDG-INIZCTEOSA-N 2 1 288.370 2.387 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261840145 371747742 /nfs/dbraw/zinc/74/77/42/371747742.db2.gz QOODJBFHWJUHCE-KRWDZBQOSA-N 2 1 284.407 2.351 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261840145 371747748 /nfs/dbraw/zinc/74/77/48/371747748.db2.gz QOODJBFHWJUHCE-KRWDZBQOSA-N 2 1 284.407 2.351 20 0 CEADMP C[C@@]1(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]C1 ZINC000261897141 371765829 /nfs/dbraw/zinc/76/58/29/371765829.db2.gz VDSLOUUVSXFDDE-CEXWTWQISA-N 2 1 299.462 2.050 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261924149 371773184 /nfs/dbraw/zinc/77/31/84/371773184.db2.gz KWNDETZIJRLMDJ-GXTWGEPZSA-N 2 1 264.417 2.332 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261924149 371773190 /nfs/dbraw/zinc/77/31/90/371773190.db2.gz KWNDETZIJRLMDJ-GXTWGEPZSA-N 2 1 264.417 2.332 20 0 CEADMP CCc1cc(OC)ccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000261942881 371779879 /nfs/dbraw/zinc/77/98/79/371779879.db2.gz MXEJJHFBDJBZBP-UHFFFAOYSA-N 2 1 262.397 2.441 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261950757 371782693 /nfs/dbraw/zinc/78/26/93/371782693.db2.gz NXCMRXQCXAIROB-BLLLJJGKSA-N 2 1 262.397 2.427 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000261959414 371783846 /nfs/dbraw/zinc/78/38/46/371783846.db2.gz HBNQSEKKDZATBE-QGZVFWFLSA-N 2 1 290.407 2.279 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000261959414 371783856 /nfs/dbraw/zinc/78/38/56/371783856.db2.gz HBNQSEKKDZATBE-QGZVFWFLSA-N 2 1 290.407 2.279 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(OC)c1 ZINC000337335304 214013086 /nfs/dbraw/zinc/01/30/86/214013086.db2.gz LOOPICGADFIFEW-UHFFFAOYSA-N 2 1 250.386 2.469 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(OC)c1 ZINC000337335304 214013090 /nfs/dbraw/zinc/01/30/90/214013090.db2.gz LOOPICGADFIFEW-UHFFFAOYSA-N 2 1 250.386 2.469 20 0 CEADMP C[C@@H]1COc2ccccc2C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262003801 371797232 /nfs/dbraw/zinc/79/72/32/371797232.db2.gz UKJRPOHWDLCMFC-KGLIPLIRSA-N 2 1 260.381 2.269 20 0 CEADMP C[C@@H]1COc2ccccc2C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262003801 371797236 /nfs/dbraw/zinc/79/72/36/371797236.db2.gz UKJRPOHWDLCMFC-KGLIPLIRSA-N 2 1 260.381 2.269 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262029370 371802633 /nfs/dbraw/zinc/80/26/33/371802633.db2.gz WZWUOJVJRSSOCH-AWEZNQCLSA-N 2 1 270.380 2.043 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262029370 371802636 /nfs/dbraw/zinc/80/26/36/371802636.db2.gz WZWUOJVJRSSOCH-AWEZNQCLSA-N 2 1 270.380 2.043 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)o1 ZINC000262090507 371821351 /nfs/dbraw/zinc/82/13/51/371821351.db2.gz USUMSIZICXEYSA-INIZCTEOSA-N 2 1 286.379 2.164 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)o1 ZINC000262090507 371821354 /nfs/dbraw/zinc/82/13/54/371821354.db2.gz USUMSIZICXEYSA-INIZCTEOSA-N 2 1 286.379 2.164 20 0 CEADMP Clc1ccccc1[C@H]1CNCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262229846 371840681 /nfs/dbraw/zinc/84/06/81/371840681.db2.gz NUEZLYMXGNBECD-MRXNPFEDSA-N 2 1 293.842 2.286 20 0 CEADMP Clc1ccccc1[C@H]1CNCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262229846 371840683 /nfs/dbraw/zinc/84/06/83/371840683.db2.gz NUEZLYMXGNBECD-MRXNPFEDSA-N 2 1 293.842 2.286 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2(OC)CCCC2)C1 ZINC000361570494 371935029 /nfs/dbraw/zinc/93/50/29/371935029.db2.gz CTLFCQQBFYJOKR-INIZCTEOSA-N 2 1 298.471 2.378 20 0 CEADMP CCCCOCC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361517857 371893678 /nfs/dbraw/zinc/89/36/78/371893678.db2.gz GBZNKHJVKJLZFE-UHFFFAOYSA-N 2 1 293.411 2.029 20 0 CEADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)C[C@H](C)CC ZINC000344149801 217075080 /nfs/dbraw/zinc/07/50/80/217075080.db2.gz RUORPLFBOANYPN-MRXNPFEDSA-N 2 1 269.477 2.382 20 0 CEADMP CC1=C(C)C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000361621572 371983775 /nfs/dbraw/zinc/98/37/75/371983775.db2.gz WCPHRKYRQWGLGR-UHFFFAOYSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532918 372021674 /nfs/dbraw/zinc/02/16/74/372021674.db2.gz LIUKAUCGBRVPDQ-INIZCTEOSA-N 2 1 297.487 2.440 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000344158719 217079453 /nfs/dbraw/zinc/07/94/53/217079453.db2.gz CMGMQJNJANWSCZ-RBSFLKMASA-N 2 1 275.396 2.129 20 0 CEADMP CC[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)[NH+](CC)CC ZINC000361708169 372033493 /nfs/dbraw/zinc/03/34/93/372033493.db2.gz XUNDEPXZYQRODF-OAGGEKHMSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000361804383 372079563 /nfs/dbraw/zinc/07/95/63/372079563.db2.gz MWRVACHUWIZKDJ-KFWWJZLASA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)c1ccccc1F ZINC000268789993 372224598 /nfs/dbraw/zinc/22/45/98/372224598.db2.gz LSCLBOIMLSDFDE-MPTQWLOMSA-N 2 1 280.387 2.177 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccsc1 ZINC000268802292 372227735 /nfs/dbraw/zinc/22/77/35/372227735.db2.gz BLKQRYJRMUEUFR-GFCCVEGCSA-N 2 1 268.426 2.246 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccccc2F)CC[N@@H+]1C ZINC000268699963 372185673 /nfs/dbraw/zinc/18/56/73/372185673.db2.gz AWHVFYBBOCYKGH-STQMWFEESA-N 2 1 266.360 2.277 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccccc2F)CC[N@H+]1C ZINC000268699963 372185675 /nfs/dbraw/zinc/18/56/75/372185675.db2.gz AWHVFYBBOCYKGH-STQMWFEESA-N 2 1 266.360 2.277 20 0 CEADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344299102 217139775 /nfs/dbraw/zinc/13/97/75/217139775.db2.gz OLCRSIVUGBUDBK-HNNXBMFYSA-N 2 1 293.455 2.019 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCC[C@H](C)C2)C[C@@H]1C ZINC000362178916 372258664 /nfs/dbraw/zinc/25/86/64/372258664.db2.gz DIXOWCKZOOWTAG-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3cncn3)c2)[C@H](C)C1 ZINC000268878348 372269716 /nfs/dbraw/zinc/26/97/16/372269716.db2.gz HKQCGAVSQXWGIO-RHSMWYFYSA-N 2 1 299.422 2.087 20 0 CEADMP CC[N@@H+]1C[C@H](NCC[C@H](C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000344355775 217167420 /nfs/dbraw/zinc/16/74/20/217167420.db2.gz UGSXTSCQSONXTL-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1C[N@H+](CCNc2cc(C)[nH+]c3ccccc23)CCO1 ZINC000362662319 372477695 /nfs/dbraw/zinc/47/76/95/372477695.db2.gz HOCWZFBQQSXGCS-OAHLLOKOSA-N 2 1 299.418 2.488 20 0 CEADMP CC[C@@H]1C[N@@H+](CCNc2cc(C)[nH+]c3ccccc23)CCO1 ZINC000362662319 372477700 /nfs/dbraw/zinc/47/77/00/372477700.db2.gz HOCWZFBQQSXGCS-OAHLLOKOSA-N 2 1 299.418 2.488 20 0 CEADMP CN(C)c1cc(NC(=O)C[C@@H]([NH3+])c2ccccc2)cc[nH+]1 ZINC000269482043 372464644 /nfs/dbraw/zinc/46/46/44/372464644.db2.gz GBZHTZSIFUDVJA-CQSZACIVSA-N 2 1 284.363 2.176 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000362820715 372535119 /nfs/dbraw/zinc/53/51/19/372535119.db2.gz QIYQRBPGAMHNQX-GOEBONIOSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@H](C(=O)N(C)CCCn1cc[nH+]c1C)[NH+](CC)CC ZINC000269650930 372519282 /nfs/dbraw/zinc/51/92/82/372519282.db2.gz JGPKIJUOPVSDFC-OAHLLOKOSA-N 2 1 294.443 2.160 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(C2CC2)ncn1 ZINC000641656420 372608617 /nfs/dbraw/zinc/60/86/17/372608617.db2.gz HSWGTOJYDNFEFR-ZDUSSCGKSA-N 2 1 291.443 2.038 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641660844 372615036 /nfs/dbraw/zinc/61/50/36/372615036.db2.gz CTJFUOVNDJNPRI-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP C(C[NH+]1CCCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000363449069 372636951 /nfs/dbraw/zinc/63/69/51/372636951.db2.gz ILIGLKKEEJIOCU-UHFFFAOYSA-N 2 1 279.472 2.423 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000344513983 217215535 /nfs/dbraw/zinc/21/55/35/217215535.db2.gz BRMSPKAUMKJMMF-NXHRZFHOSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000344513983 217215538 /nfs/dbraw/zinc/21/55/38/217215538.db2.gz BRMSPKAUMKJMMF-NXHRZFHOSA-N 2 1 288.435 2.402 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]C/C=C/c1ccccc1 ZINC000641771417 372713617 /nfs/dbraw/zinc/71/36/17/372713617.db2.gz HUEQNECPYXPHRV-VGMNTSGFSA-N 2 1 276.424 2.382 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ncccc1C(F)(F)F ZINC000641801287 372743363 /nfs/dbraw/zinc/74/33/63/372743363.db2.gz OYKNWKPHZBWEPD-GHMZBOCLSA-N 2 1 273.302 2.316 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000641803694 372748535 /nfs/dbraw/zinc/74/85/35/372748535.db2.gz DMXPGQMDUBQRRW-NEPJUHHUSA-N 2 1 299.777 2.133 20 0 CEADMP Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641807941 372755265 /nfs/dbraw/zinc/75/52/65/372755265.db2.gz VYDPPECHWLEPQV-OLZOCXBDSA-N 2 1 295.814 2.302 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1C ZINC000641809291 372756906 /nfs/dbraw/zinc/75/69/06/372756906.db2.gz VTTZPDHMPYDGLF-AEGPPILISA-N 2 1 289.423 2.346 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(F)cc1F ZINC000641809612 372757219 /nfs/dbraw/zinc/75/72/19/372757219.db2.gz XFWCWOHIBLNKEW-CKLFPEKLSA-N 2 1 297.349 2.007 20 0 CEADMP CCc1nc(C)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000641797250 372736340 /nfs/dbraw/zinc/73/63/40/372736340.db2.gz ZFFXSKXTOBWANE-CMPLNLGQSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000641797250 372736348 /nfs/dbraw/zinc/73/63/48/372736348.db2.gz ZFFXSKXTOBWANE-CMPLNLGQSA-N 2 1 251.374 2.105 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000364357863 372736615 /nfs/dbraw/zinc/73/66/15/372736615.db2.gz WEQKKWOXCKUDEA-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000364357863 372736619 /nfs/dbraw/zinc/73/66/19/372736619.db2.gz WEQKKWOXCKUDEA-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000641798031 372737529 /nfs/dbraw/zinc/73/75/29/372737529.db2.gz GPGDUPWCXIBGES-OKILXGFUSA-N 2 1 277.412 2.367 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)o1 ZINC000641797640 372738449 /nfs/dbraw/zinc/73/84/49/372738449.db2.gz DRVUNWVMHADYSQ-CQSZACIVSA-N 2 1 251.374 2.106 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)o1 ZINC000641797640 372738452 /nfs/dbraw/zinc/73/84/52/372738452.db2.gz DRVUNWVMHADYSQ-CQSZACIVSA-N 2 1 251.374 2.106 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000641823577 372767711 /nfs/dbraw/zinc/76/77/11/372767711.db2.gz SENRLMOOFIRMFP-GXSJLCMTSA-N 2 1 284.306 2.320 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC000641823577 372767720 /nfs/dbraw/zinc/76/77/20/372767720.db2.gz SENRLMOOFIRMFP-GXSJLCMTSA-N 2 1 284.306 2.320 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+][C@H]1CC ZINC000353433861 220080344 /nfs/dbraw/zinc/08/03/44/220080344.db2.gz VFGWFWXUKAPIEB-OAGGEKHMSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000333190577 205103299 /nfs/dbraw/zinc/10/32/99/205103299.db2.gz UWKWLJQDSPZAJQ-FXUDXRNXSA-N 3 1 267.461 2.404 20 0 CEADMP Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000270599640 372862542 /nfs/dbraw/zinc/86/25/42/372862542.db2.gz GPXQSSOPZGJBAC-INIZCTEOSA-N 2 1 287.411 2.251 20 0 CEADMP Cc1nccn1C[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000270599640 372862550 /nfs/dbraw/zinc/86/25/50/372862550.db2.gz GPXQSSOPZGJBAC-INIZCTEOSA-N 2 1 287.411 2.251 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000270666189 372890138 /nfs/dbraw/zinc/89/01/38/372890138.db2.gz QALFIGPHQRROFR-LBPRGKRZSA-N 2 1 296.415 2.037 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000270666189 372890140 /nfs/dbraw/zinc/89/01/40/372890140.db2.gz QALFIGPHQRROFR-LBPRGKRZSA-N 2 1 296.415 2.037 20 0 CEADMP CCOC(=O)C[N@H+](CCCn1cc[nH+]c1C)C(C)(C)C ZINC000270710928 372913234 /nfs/dbraw/zinc/91/32/34/372913234.db2.gz ZPJAVTPCNLHCKM-UHFFFAOYSA-N 2 1 281.400 2.245 20 0 CEADMP CCOC(=O)C[N@@H+](CCCn1cc[nH+]c1C)C(C)(C)C ZINC000270710928 372913239 /nfs/dbraw/zinc/91/32/39/372913239.db2.gz ZPJAVTPCNLHCKM-UHFFFAOYSA-N 2 1 281.400 2.245 20 0 CEADMP C(C[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1)[C@@H]1CC[NH2+]C1 ZINC000643057486 372938331 /nfs/dbraw/zinc/93/83/31/372938331.db2.gz ARDKBBXIAMVEAU-GXTWGEPZSA-N 2 1 290.411 2.474 20 0 CEADMP C(C[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1)[C@@H]1CC[NH2+]C1 ZINC000643057486 372938334 /nfs/dbraw/zinc/93/83/34/372938334.db2.gz ARDKBBXIAMVEAU-GXTWGEPZSA-N 2 1 290.411 2.474 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000365872859 372949179 /nfs/dbraw/zinc/94/91/79/372949179.db2.gz WTKQVISHBGKITH-BZUAXINKSA-N 2 1 276.424 2.186 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000353514688 220129769 /nfs/dbraw/zinc/12/97/69/220129769.db2.gz LEHZEFBJYMQTDO-ZNMIVQPWSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(O)CC2)C1 ZINC000353523465 220135852 /nfs/dbraw/zinc/13/58/52/220135852.db2.gz ULUCGEMNPGNLEV-WLYUNCDWSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(O)CC2)C1 ZINC000353523465 220135854 /nfs/dbraw/zinc/13/58/54/220135854.db2.gz ULUCGEMNPGNLEV-WLYUNCDWSA-N 2 1 268.445 2.390 20 0 CEADMP CC[C@H](O)C[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000270890539 373000872 /nfs/dbraw/zinc/00/08/72/373000872.db2.gz OZWPYSPKAPBBTN-KRWDZBQOSA-N 2 1 287.407 2.465 20 0 CEADMP CC[C@H](O)C[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000270890539 373000876 /nfs/dbraw/zinc/00/08/76/373000876.db2.gz OZWPYSPKAPBBTN-KRWDZBQOSA-N 2 1 287.407 2.465 20 0 CEADMP OC1CCC([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000353521640 220133713 /nfs/dbraw/zinc/13/37/13/220133713.db2.gz RUUBIPPHVDXOJH-HWOWSKLDSA-N 2 1 266.429 2.144 20 0 CEADMP OC1CCC([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000353521640 220133715 /nfs/dbraw/zinc/13/37/15/220133715.db2.gz RUUBIPPHVDXOJH-HWOWSKLDSA-N 2 1 266.429 2.144 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000270870143 372990743 /nfs/dbraw/zinc/99/07/43/372990743.db2.gz LMYAYHCGBVOGNB-UHFFFAOYSA-N 2 1 272.396 2.390 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000270870143 372990753 /nfs/dbraw/zinc/99/07/53/372990753.db2.gz LMYAYHCGBVOGNB-UHFFFAOYSA-N 2 1 272.396 2.390 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000367451573 373153341 /nfs/dbraw/zinc/15/33/41/373153341.db2.gz RILXXYIPFIGHOH-CABCVRRESA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000367451573 373153351 /nfs/dbraw/zinc/15/33/51/373153351.db2.gz RILXXYIPFIGHOH-CABCVRRESA-N 2 1 263.385 2.225 20 0 CEADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[NH2+]C1CC1 ZINC000643505881 373163521 /nfs/dbraw/zinc/16/35/21/373163521.db2.gz CIQGWOMVPMLATO-GFCCVEGCSA-N 2 1 276.380 2.078 20 0 CEADMP CC1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)OCCCO1 ZINC000366771624 373123035 /nfs/dbraw/zinc/12/30/35/373123035.db2.gz ICFIJZJTDBQARD-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000353562299 220159246 /nfs/dbraw/zinc/15/92/46/220159246.db2.gz MPJUVNNJOOVXFN-ZFWWWQNUSA-N 2 1 283.460 2.083 20 0 CEADMP C[C@H]1CC[C@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)O1 ZINC000366903310 373128617 /nfs/dbraw/zinc/12/86/17/373128617.db2.gz OJJQYLCZXAHTOO-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP [NH3+][C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000643462876 373130474 /nfs/dbraw/zinc/13/04/74/373130474.db2.gz QOFWSLYSJFZIFJ-KBRIMQKVSA-N 2 1 271.408 2.205 20 0 CEADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1OCC ZINC000643526102 373183220 /nfs/dbraw/zinc/18/32/20/373183220.db2.gz PDYXGKHQCQLVBP-NWDGAFQWSA-N 2 1 266.385 2.482 20 0 CEADMP COC[C@]1(C[NH2+][C@@H](C)Cc2cccs2)CCC[NH2+]1 ZINC000643531761 373189822 /nfs/dbraw/zinc/18/98/22/373189822.db2.gz GWKONBRZDJOUQM-GXTWGEPZSA-N 2 1 268.426 2.037 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548470 373205943 /nfs/dbraw/zinc/20/59/43/373205943.db2.gz PWMIXDVHUPAKSI-TZMCWYRMSA-N 2 1 274.412 2.062 20 0 CEADMP CC1CCN(C(=[NH2+])NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000368838173 373272583 /nfs/dbraw/zinc/27/25/83/373272583.db2.gz JCJGRJZQUNQVMC-GOOCMWNKSA-N 2 1 278.444 2.115 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(CO)c1 ZINC000271966018 373237381 /nfs/dbraw/zinc/23/73/81/373237381.db2.gz MMYHZPSBVJFXNH-JQFCIGGWSA-N 2 1 274.408 2.456 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(CO)c1 ZINC000271966018 373237387 /nfs/dbraw/zinc/23/73/87/373237387.db2.gz MMYHZPSBVJFXNH-JQFCIGGWSA-N 2 1 274.408 2.456 20 0 CEADMP Cc1cncc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353621721 220199207 /nfs/dbraw/zinc/19/92/07/220199207.db2.gz MPJPJABLVCILCR-OAGGEKHMSA-N 2 1 259.397 2.352 20 0 CEADMP CC/C=C\C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644657911 373586369 /nfs/dbraw/zinc/58/63/69/373586369.db2.gz IQWFLFBWYLBWDK-LWAXHKBTSA-N 2 1 262.397 2.035 20 0 CEADMP CC/C=C\C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644657911 373586370 /nfs/dbraw/zinc/58/63/70/373586370.db2.gz IQWFLFBWYLBWDK-LWAXHKBTSA-N 2 1 262.397 2.035 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000370622596 373699886 /nfs/dbraw/zinc/69/98/86/373699886.db2.gz PNPWTHYHJKBCCZ-HNNXBMFYSA-N 2 1 278.444 2.016 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000371205903 373813725 /nfs/dbraw/zinc/81/37/25/373813725.db2.gz VYLGXAOXKXDRFQ-INIZCTEOSA-N 2 1 276.428 2.351 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCC[NH+]1CCCC1 ZINC000371205903 373813732 /nfs/dbraw/zinc/81/37/32/373813732.db2.gz VYLGXAOXKXDRFQ-INIZCTEOSA-N 2 1 276.428 2.351 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000371403564 373869527 /nfs/dbraw/zinc/86/95/27/373869527.db2.gz UMHHPYOGMAYTNJ-HUUCEWRRSA-N 2 1 274.408 2.436 20 0 CEADMP COc1cccc(CN2CCC3(CCC[N@H+]3C)CC2)n1 ZINC000371693219 373952249 /nfs/dbraw/zinc/95/22/49/373952249.db2.gz PAAFSXRMJQQERJ-UHFFFAOYSA-N 2 1 275.396 2.150 20 0 CEADMP Cn1cncc1C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000371725372 373959717 /nfs/dbraw/zinc/95/97/17/373959717.db2.gz WBPLIDGSZCSVDW-WBVHZDCISA-N 2 1 284.407 2.203 20 0 CEADMP Cn1cncc1C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000371725372 373959721 /nfs/dbraw/zinc/95/97/21/373959721.db2.gz WBPLIDGSZCSVDW-WBVHZDCISA-N 2 1 284.407 2.203 20 0 CEADMP C[N@H+]1CC[C@@H](CNC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000371854373 373992925 /nfs/dbraw/zinc/99/29/25/373992925.db2.gz UUYVCZDZBLRRPJ-WMZOPIPTSA-N 2 1 287.451 2.363 20 0 CEADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372066314 374035039 /nfs/dbraw/zinc/03/50/39/374035039.db2.gz YHUXQEHZZBDGFH-RDBSUJKOSA-N 2 1 286.485 2.359 20 0 CEADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000372066314 374035043 /nfs/dbraw/zinc/03/50/43/374035043.db2.gz YHUXQEHZZBDGFH-RDBSUJKOSA-N 2 1 286.485 2.359 20 0 CEADMP CO[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000372064625 374035386 /nfs/dbraw/zinc/03/53/86/374035386.db2.gz GUTAXJVVARSXLU-HUUCEWRRSA-N 2 1 291.439 2.102 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000343112046 220248879 /nfs/dbraw/zinc/24/88/79/220248879.db2.gz WEXJPXMYECHNEZ-HRCADAONSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000343112046 220248880 /nfs/dbraw/zinc/24/88/80/220248880.db2.gz WEXJPXMYECHNEZ-HRCADAONSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000343112046 220248883 /nfs/dbraw/zinc/24/88/83/220248883.db2.gz WEXJPXMYECHNEZ-HRCADAONSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[NH+](C)C ZINC000274823226 374062159 /nfs/dbraw/zinc/06/21/59/374062159.db2.gz KLLIFMTVARMLOV-DOTOQJQBSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN(C)C ZINC000274823226 374062173 /nfs/dbraw/zinc/06/21/73/374062173.db2.gz KLLIFMTVARMLOV-DOTOQJQBSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN(C)C ZINC000274823226 374062184 /nfs/dbraw/zinc/06/21/84/374062184.db2.gz KLLIFMTVARMLOV-DOTOQJQBSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274922087 374096905 /nfs/dbraw/zinc/09/69/05/374096905.db2.gz PIXFZKNVGHMFEN-YQQAZPJKSA-N 2 1 276.424 2.258 20 0 CEADMP CC(C)COCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000372813654 374205362 /nfs/dbraw/zinc/20/53/62/374205362.db2.gz GVSSPLNBAZUKIA-UHFFFAOYSA-N 2 1 279.428 2.347 20 0 CEADMP Cn1cc([C@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)cn1 ZINC000372825472 374207362 /nfs/dbraw/zinc/20/73/62/374207362.db2.gz QVPDOKJHEWTNAU-HNNXBMFYSA-N 2 1 276.428 2.085 20 0 CEADMP Cn1cc([C@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)cn1 ZINC000372825472 374207372 /nfs/dbraw/zinc/20/73/72/374207372.db2.gz QVPDOKJHEWTNAU-HNNXBMFYSA-N 2 1 276.428 2.085 20 0 CEADMP COC[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000372834452 374208961 /nfs/dbraw/zinc/20/89/61/374208961.db2.gz CDVWBUGVUHKWQT-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP C[N@@H+](CCC[C@H]1CCOC1)CCC[NH+]1CCCC1 ZINC000645897062 374263073 /nfs/dbraw/zinc/26/30/73/374263073.db2.gz SDBMSSBKNMQMSP-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc([S@@](C)=O)cc1 ZINC000276627421 374241173 /nfs/dbraw/zinc/24/11/73/374241173.db2.gz IVEJVIRRRBFYFV-FKIZINRSSA-N 2 1 291.420 2.051 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC[C@@H]3CCOC3)C2)C1 ZINC000645922862 374287544 /nfs/dbraw/zinc/28/75/44/374287544.db2.gz ZJDFFZGQXKXUGD-CVEARBPZSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC[C@@H]3CCOC3)C2)C1 ZINC000645922862 374287552 /nfs/dbraw/zinc/28/75/52/374287552.db2.gz ZJDFFZGQXKXUGD-CVEARBPZSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC[C@@H]3CCOC3)C2)C1 ZINC000645922862 374287561 /nfs/dbraw/zinc/28/75/61/374287561.db2.gz ZJDFFZGQXKXUGD-CVEARBPZSA-N 2 1 266.429 2.221 20 0 CEADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[NH+](C)C ZINC000373876507 374438420 /nfs/dbraw/zinc/43/84/20/374438420.db2.gz PPQRSCOURUQGPB-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000278165397 374737828 /nfs/dbraw/zinc/73/78/28/374737828.db2.gz ATGWBOKVZGWSNQ-ZACQAIPSSA-N 2 1 274.408 2.245 20 0 CEADMP CCOC1CC(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000377124694 374797078 /nfs/dbraw/zinc/79/70/78/374797078.db2.gz GKYMWWGHVXUCJX-QTPCEWDRSA-N 2 1 278.440 2.218 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000278287586 374769633 /nfs/dbraw/zinc/76/96/33/374769633.db2.gz BNHKHOFVEKWARX-UHFFFAOYSA-N 2 1 253.365 2.207 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(-n2cccn2)c1 ZINC000289484960 197370182 /nfs/dbraw/zinc/37/01/82/197370182.db2.gz BYXBFDCHDQFWHU-AWEZNQCLSA-N 2 1 295.390 2.499 20 0 CEADMP CC[C@H](C[NH2+][C@H]1CCC[C@H](OC)C1)[NH+]1CCCC1 ZINC000684368937 541985160 /nfs/dbraw/zinc/98/51/60/541985160.db2.gz HKDYHQUHCPJTQD-ZNMIVQPWSA-N 2 1 254.418 2.408 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000684370682 541986237 /nfs/dbraw/zinc/98/62/37/541986237.db2.gz GKQYBBMGJVRDHT-KGLIPLIRSA-N 2 1 251.374 2.129 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000279555133 374916531 /nfs/dbraw/zinc/91/65/31/374916531.db2.gz RETVAMDLINWLLL-WBVHZDCISA-N 2 1 276.424 2.402 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCCO)CC[N@H+]1Cc1ccccc1 ZINC000279555133 374916538 /nfs/dbraw/zinc/91/65/38/374916538.db2.gz RETVAMDLINWLLL-WBVHZDCISA-N 2 1 276.424 2.402 20 0 CEADMP CC(C)=CC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378436526 375099665 /nfs/dbraw/zinc/09/96/65/375099665.db2.gz ZVABXNJQTMEYGB-MRXNPFEDSA-N 2 1 265.445 2.053 20 0 CEADMP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000378211292 375045329 /nfs/dbraw/zinc/04/53/29/375045329.db2.gz PTNRLNPHMOYTJZ-ZIAGYGMSSA-N 2 1 292.427 2.026 20 0 CEADMP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1OC ZINC000386144162 375253165 /nfs/dbraw/zinc/25/31/65/375253165.db2.gz QWKUGILFXCPHCS-ZFWWWQNUSA-N 2 1 292.423 2.367 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399067476 375356688 /nfs/dbraw/zinc/35/66/88/375356688.db2.gz KYIRUPTVZFSGKR-VNHYZAJKSA-N 2 1 262.397 2.356 20 0 CEADMP c1n[nH]cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684410250 541997783 /nfs/dbraw/zinc/99/77/83/541997783.db2.gz BZYXGBFPIAOYBY-OAHLLOKOSA-N 2 1 270.380 2.021 20 0 CEADMP c1n[nH]cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000684410250 541997786 /nfs/dbraw/zinc/99/77/86/541997786.db2.gz BZYXGBFPIAOYBY-OAHLLOKOSA-N 2 1 270.380 2.021 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000684407015 541996665 /nfs/dbraw/zinc/99/66/65/541996665.db2.gz BQSSNPWTGAZQQW-BZUAXINKSA-N 2 1 284.444 2.035 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000684407015 541996669 /nfs/dbraw/zinc/99/66/69/541996669.db2.gz BQSSNPWTGAZQQW-BZUAXINKSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000282502188 375500185 /nfs/dbraw/zinc/50/01/85/375500185.db2.gz YGHIQGDBCAYQHL-OAHLLOKOSA-N 2 1 275.440 2.363 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000414172333 375800695 /nfs/dbraw/zinc/80/06/95/375800695.db2.gz DWVYZPPXACNYPF-LVQVYYBASA-N 2 1 278.440 2.266 20 0 CEADMP CCn1cc[nH+]c1NCc1ncc(C[NH+](C)C)s1 ZINC000414295422 375826377 /nfs/dbraw/zinc/82/63/77/375826377.db2.gz FNRGMRYXHSJLQV-UHFFFAOYSA-N 2 1 265.386 2.033 20 0 CEADMP C[NH2+][C@H](C)Cc1noc([C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000414642475 375894433 /nfs/dbraw/zinc/89/44/33/375894433.db2.gz JQKFTSIJSWWQAQ-WYUUTHIRSA-N 2 1 266.389 2.154 20 0 CEADMP O=c1[nH]c2ccccc2cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414771553 375961245 /nfs/dbraw/zinc/96/12/45/375961245.db2.gz RJWIELNMEABWBG-GASCZTMLSA-N 2 1 297.402 2.372 20 0 CEADMP CCOc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1F ZINC000414777204 375963366 /nfs/dbraw/zinc/96/33/66/375963366.db2.gz ODBXVKGWYOLEQK-UHFFFAOYSA-N 2 1 252.333 2.146 20 0 CEADMP CCOc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1F ZINC000414777204 375963374 /nfs/dbraw/zinc/96/33/74/375963374.db2.gz ODBXVKGWYOLEQK-UHFFFAOYSA-N 2 1 252.333 2.146 20 0 CEADMP CCCc1csc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000414795679 375980927 /nfs/dbraw/zinc/98/09/27/375980927.db2.gz GVMMWVZHQLWNJK-CMPLNLGQSA-N 2 1 253.415 2.313 20 0 CEADMP Cc1cccc(C)c1C[N@@H+]1CCNC[C@](C)(F)C1 ZINC000414779557 375964109 /nfs/dbraw/zinc/96/41/09/375964109.db2.gz RRLJWUPPOJVMGP-HNNXBMFYSA-N 2 1 250.361 2.437 20 0 CEADMP Cc1cccc(C)c1C[N@H+]1CCNC[C@](C)(F)C1 ZINC000414779557 375964114 /nfs/dbraw/zinc/96/41/14/375964114.db2.gz RRLJWUPPOJVMGP-HNNXBMFYSA-N 2 1 250.361 2.437 20 0 CEADMP Clc1cc(C[NH2+]C2CC[NH2+]CC2)cc2c1OCCCO2 ZINC000414790042 375971468 /nfs/dbraw/zinc/97/14/68/375971468.db2.gz OLJQAJMSJULZDL-UHFFFAOYSA-N 2 1 296.798 2.343 20 0 CEADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414788527 375971696 /nfs/dbraw/zinc/97/16/96/375971696.db2.gz WWMLINHVNMHSEQ-HZPDHXFCSA-N 2 1 290.455 2.460 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCN(c3nccs3)CC2)CC[NH2+]1 ZINC000414699457 375927097 /nfs/dbraw/zinc/92/70/97/375927097.db2.gz YQANXWHAXXTESG-KGLIPLIRSA-N 2 1 294.468 2.043 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)CC[NH2+]1 ZINC000414734239 375943702 /nfs/dbraw/zinc/94/37/02/375943702.db2.gz DIWAFQCLDGKJRP-NDBYEHHHSA-N 2 1 294.361 2.010 20 0 CEADMP CC(C)c1ncc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC000414737485 375945248 /nfs/dbraw/zinc/94/52/48/375945248.db2.gz HGBQIJYMTLOJAY-KBPBESRZSA-N 2 1 276.428 2.420 20 0 CEADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414749974 375949261 /nfs/dbraw/zinc/94/92/61/375949261.db2.gz ZCLRHAUADLPFAH-LSDHHAIUSA-N 2 1 295.471 2.084 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000414808027 375992782 /nfs/dbraw/zinc/99/27/82/375992782.db2.gz RYOAUKFUTYTYDC-UHFFFAOYSA-N 2 1 291.439 2.130 20 0 CEADMP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C[NH3+])C2CC2)cc1F ZINC000414806835 375993380 /nfs/dbraw/zinc/99/33/80/375993380.db2.gz NMQGSQBPXWZOHO-ABAIWWIYSA-N 2 1 280.387 2.340 20 0 CEADMP C[C@@H](CCc1cccc(F)c1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414808719 375994518 /nfs/dbraw/zinc/99/45/18/375994518.db2.gz SRSNLPQXPJVGCQ-XHDPSFHLSA-N 2 1 250.361 2.474 20 0 CEADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414812555 375999793 /nfs/dbraw/zinc/99/97/93/375999793.db2.gz XLACKMXGQQVFCG-LRDDRELGSA-N 2 1 289.423 2.293 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)C1CC1 ZINC000414815039 376001099 /nfs/dbraw/zinc/00/10/99/376001099.db2.gz ZUZHGUOWOCFBRE-OAHLLOKOSA-N 2 1 284.363 2.096 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000414817140 376001833 /nfs/dbraw/zinc/00/18/33/376001833.db2.gz RNLUKBAJSNYZKI-GXTWGEPZSA-N 2 1 265.401 2.128 20 0 CEADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414816473 376002430 /nfs/dbraw/zinc/00/24/30/376002430.db2.gz XCWSMJUFAACWCY-HUUCEWRRSA-N 2 1 292.423 2.352 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2[NH2+]CCCC2(C)C)[C@@H](C)C1 ZINC000414930621 376012897 /nfs/dbraw/zinc/01/28/97/376012897.db2.gz QDOLTEUITDONBG-SOUVJXGZSA-N 2 1 267.461 2.085 20 0 CEADMP CCCOc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1OC ZINC000414803764 375989294 /nfs/dbraw/zinc/98/92/94/375989294.db2.gz OALWRTBPFLPJAH-CQSZACIVSA-N 2 1 278.396 2.311 20 0 CEADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414803313 375989399 /nfs/dbraw/zinc/98/93/99/375989399.db2.gz NPTWVBHTHIXUEH-DOMZBBRYSA-N 2 1 275.396 2.039 20 0 CEADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414803317 375989756 /nfs/dbraw/zinc/98/97/56/375989756.db2.gz NPTWVBHTHIXUEH-SWLSCSKDSA-N 2 1 275.396 2.039 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000289596656 376413024 /nfs/dbraw/zinc/41/30/24/376413024.db2.gz SRAXOTOJOWHUEO-FGTMMUONSA-N 2 1 288.435 2.367 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000289596656 376413029 /nfs/dbraw/zinc/41/30/29/376413029.db2.gz SRAXOTOJOWHUEO-FGTMMUONSA-N 2 1 288.435 2.367 20 0 CEADMP C[C@@H](CNc1[nH+]cnc2[nH]ccc21)C[NH+]1CCCC1 ZINC000263822304 190080983 /nfs/dbraw/zinc/08/09/83/190080983.db2.gz YJUZSVPAGUJWHY-NSHDSACASA-N 2 1 259.357 2.102 20 0 CEADMP C[C@@H](C[N@H+](C)C[C@H](O)C[NH+](C)C1CC1)c1ccccc1 ZINC000289926096 376563109 /nfs/dbraw/zinc/56/31/09/376563109.db2.gz OVDMWPUJEHGECA-YOEHRIQHSA-N 2 1 276.424 2.177 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1)c1ccccc1 ZINC000289926096 376563121 /nfs/dbraw/zinc/56/31/21/376563121.db2.gz OVDMWPUJEHGECA-YOEHRIQHSA-N 2 1 276.424 2.177 20 0 CEADMP C[C@@H](C[NH+](C)C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289926096 376563131 /nfs/dbraw/zinc/56/31/31/376563131.db2.gz OVDMWPUJEHGECA-YOEHRIQHSA-N 2 1 276.424 2.177 20 0 CEADMP C[C@@H](C[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289926096 376563142 /nfs/dbraw/zinc/56/31/42/376563142.db2.gz OVDMWPUJEHGECA-YOEHRIQHSA-N 2 1 276.424 2.177 20 0 CEADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000309692167 376601035 /nfs/dbraw/zinc/60/10/35/376601035.db2.gz DBUDMEUOJIUZPU-RFGFWPKPSA-N 2 1 299.459 2.360 20 0 CEADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309692167 376601041 /nfs/dbraw/zinc/60/10/41/376601041.db2.gz DBUDMEUOJIUZPU-RFGFWPKPSA-N 2 1 299.459 2.360 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]Cc1cc(F)ccc1Br ZINC000308973328 376588561 /nfs/dbraw/zinc/58/85/61/376588561.db2.gz HLFPXBHECXIZJS-MRVPVSSYSA-N 2 1 275.165 2.273 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H](C)CCCC[NH3+])[NH+]1CCCC1 ZINC000310844935 376640199 /nfs/dbraw/zinc/64/01/99/376640199.db2.gz IEAYDHILVGZKID-CABCVRRESA-N 3 1 255.450 2.214 20 0 CEADMP Cc1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)s1 ZINC000290137166 376654705 /nfs/dbraw/zinc/65/47/05/376654705.db2.gz KCGFNHILULZMFG-UHFFFAOYSA-N 2 1 283.485 2.372 20 0 CEADMP Cc1ccsc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000290148961 376659132 /nfs/dbraw/zinc/65/91/32/376659132.db2.gz KYDDRADDSNMOTO-UHFFFAOYSA-N 2 1 283.485 2.372 20 0 CEADMP COCc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)o1 ZINC000290301548 376724196 /nfs/dbraw/zinc/72/41/96/376724196.db2.gz BKEJIYYHHRXDQZ-XJKSGUPXSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)o1 ZINC000290301548 376724202 /nfs/dbraw/zinc/72/42/02/376724202.db2.gz BKEJIYYHHRXDQZ-XJKSGUPXSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)o1 ZINC000290301548 376724209 /nfs/dbraw/zinc/72/42/09/376724209.db2.gz BKEJIYYHHRXDQZ-XJKSGUPXSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)o1 ZINC000290301548 376724214 /nfs/dbraw/zinc/72/42/14/376724214.db2.gz BKEJIYYHHRXDQZ-XJKSGUPXSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)o1 ZINC000290301547 376724856 /nfs/dbraw/zinc/72/48/56/376724856.db2.gz BKEJIYYHHRXDQZ-CZUORRHYSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)o1 ZINC000290301547 376724859 /nfs/dbraw/zinc/72/48/59/376724859.db2.gz BKEJIYYHHRXDQZ-CZUORRHYSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)o1 ZINC000290301547 376724864 /nfs/dbraw/zinc/72/48/64/376724864.db2.gz BKEJIYYHHRXDQZ-CZUORRHYSA-N 2 1 278.396 2.342 20 0 CEADMP COCc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)o1 ZINC000290301547 376724868 /nfs/dbraw/zinc/72/48/68/376724868.db2.gz BKEJIYYHHRXDQZ-CZUORRHYSA-N 2 1 278.396 2.342 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000311508065 376673472 /nfs/dbraw/zinc/67/34/72/376673472.db2.gz QWZXTJYVZRCTAM-WOPDTQHZSA-N 2 1 280.334 2.028 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000311700542 376682522 /nfs/dbraw/zinc/68/25/22/376682522.db2.gz LXPHIOFKXGPNHV-GASCZTMLSA-N 2 1 260.381 2.127 20 0 CEADMP C([NH2+][C@H]1CCCC12CCOCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000312412968 376712403 /nfs/dbraw/zinc/71/24/03/376712403.db2.gz NWTWXJNRMMTHES-ZBFHGGJFSA-N 2 1 278.440 2.410 20 0 CEADMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211957201 542093743 /nfs/dbraw/zinc/09/37/43/542093743.db2.gz KNAGQWYJUOHSIK-GUYCJALGSA-N 2 1 274.408 2.332 20 0 CEADMP COc1c(C)c[nH+]c(Cn2cc([C@@H]([NH3+])C(C)C)nn2)c1C ZINC000313401412 376745439 /nfs/dbraw/zinc/74/54/39/376745439.db2.gz PZDYOIRXDRCTHF-AWEZNQCLSA-N 2 1 289.383 2.003 20 0 CEADMP C[C@H](CC(=O)NCCC[N@H+]1CCCC[C@H]1C)n1ccnc1 ZINC000560683320 376775098 /nfs/dbraw/zinc/77/50/98/376775098.db2.gz PGAWPCUYNHZZLM-HUUCEWRRSA-N 2 1 292.427 2.215 20 0 CEADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCC[NH+](C)C)CC2 ZINC000280130250 542118733 /nfs/dbraw/zinc/11/87/33/542118733.db2.gz OXHKLZNCFDNIBE-CQSZACIVSA-N 2 1 278.396 2.232 20 0 CEADMP C1=CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000422976913 376901198 /nfs/dbraw/zinc/90/11/98/376901198.db2.gz WADYKFVGKCTYKF-JONQDZQNSA-N 2 1 264.413 2.089 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(Cl)c1 ZINC000422892150 376854148 /nfs/dbraw/zinc/85/41/48/376854148.db2.gz XOIVNAAHNNXLBO-NHYWBVRUSA-N 2 1 282.815 2.479 20 0 CEADMP CC[C@@H]([NH2+]CCOc1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422936651 376864455 /nfs/dbraw/zinc/86/44/55/376864455.db2.gz FMMFOKPBAHXOHJ-CABCVRRESA-N 2 1 266.360 2.325 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000423079225 376972258 /nfs/dbraw/zinc/97/22/58/376972258.db2.gz XTRSDLZKWWJTKX-LLLHUVSDSA-N 2 1 274.408 2.352 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000423081875 376973885 /nfs/dbraw/zinc/97/38/85/376973885.db2.gz VWIJMJQKOBZNMV-LSDHHAIUSA-N 3 1 267.461 2.086 20 0 CEADMP CC[C@H](NC[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423080731 376974224 /nfs/dbraw/zinc/97/42/24/376974224.db2.gz ZZKKKIDQFYJLAO-JYJNAYRXSA-N 2 1 265.445 2.124 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423001738 376919824 /nfs/dbraw/zinc/91/98/24/376919824.db2.gz XRIBGHTXMFBWIS-BZUAXINKSA-N 2 1 267.461 2.085 20 0 CEADMP CC1=CC[N@@H+](CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000423033775 376940888 /nfs/dbraw/zinc/94/08/88/376940888.db2.gz GWKSTWOIFVXFHJ-SJORKVTESA-N 2 1 271.408 2.373 20 0 CEADMP CC1=CC[N@@H+](CCN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000423040481 376945760 /nfs/dbraw/zinc/94/57/60/376945760.db2.gz UHALXIKNMGFXLF-SJLPKXTDSA-N 2 1 287.451 2.187 20 0 CEADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423057620 376952096 /nfs/dbraw/zinc/95/20/96/376952096.db2.gz HNNXQHBOJJZBAV-WOPDTQHZSA-N 2 1 282.350 2.320 20 0 CEADMP CC[C@H](NCC[N@H+](CC)CCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423072294 376964069 /nfs/dbraw/zinc/96/40/69/376964069.db2.gz IZLOYMKHZDTSDV-STQMWFEESA-N 2 1 295.393 2.381 20 0 CEADMP CC[C@H](NCC[N@@H+](CC)CCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423072294 376964077 /nfs/dbraw/zinc/96/40/77/376964077.db2.gz IZLOYMKHZDTSDV-STQMWFEESA-N 2 1 295.393 2.381 20 0 CEADMP C[C@@H](NC[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423075107 376966183 /nfs/dbraw/zinc/96/61/83/376966183.db2.gz NOXWRDHZQYNSHO-KBMXLJTQSA-N 2 1 265.445 2.124 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000423118629 377012903 /nfs/dbraw/zinc/01/29/03/377012903.db2.gz BOFUGXCANVARBL-TYNCELHUSA-N 2 1 282.815 2.004 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1COc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000423121876 377016955 /nfs/dbraw/zinc/01/69/55/377016955.db2.gz JMZCLSRVAAQAOU-IPYPFGDCSA-N 2 1 260.381 2.283 20 0 CEADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423121731 377017921 /nfs/dbraw/zinc/01/79/21/377017921.db2.gz BHCJZAKLHPCNCY-VBNZEHGJSA-N 2 1 289.423 2.273 20 0 CEADMP C[C@@H]([NH2+]C[C@H](CO)c1ccccc1Cl)[C@H]1CCC[NH2+]1 ZINC000423120761 377018303 /nfs/dbraw/zinc/01/83/03/377018303.db2.gz HMEZBXSZQUOOGT-LALPHHSUSA-N 2 1 282.815 2.146 20 0 CEADMP C[C@H]([NH2+]C[C@@H](CO)c1ccccc1Cl)[C@H]1CCC[NH2+]1 ZINC000423120762 377018376 /nfs/dbraw/zinc/01/83/76/377018376.db2.gz HMEZBXSZQUOOGT-SLEUVZQESA-N 2 1 282.815 2.146 20 0 CEADMP COc1cccc(C2(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000423122422 377020440 /nfs/dbraw/zinc/02/04/40/377020440.db2.gz KRSFIILQWBPXOH-CJNGLKHVSA-N 2 1 274.408 2.457 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1COc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423126031 377025594 /nfs/dbraw/zinc/02/55/94/377025594.db2.gz RKUBPZCVJOLRQL-QEJZJMRPSA-N 2 1 260.381 2.283 20 0 CEADMP CN(C)c1cccnc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423131172 377029481 /nfs/dbraw/zinc/02/94/81/377029481.db2.gz ZLHRJUTYDDDODX-SOUVJXGZSA-N 2 1 288.439 2.158 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423132173 377033157 /nfs/dbraw/zinc/03/31/57/377033157.db2.gz BRSYJQMDISQING-ZNMIVQPWSA-N 2 1 255.450 2.085 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423149296 377048609 /nfs/dbraw/zinc/04/86/09/377048609.db2.gz AMNVSJRJXNWLET-QWHCGFSZSA-N 2 1 272.751 2.327 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423089783 376982163 /nfs/dbraw/zinc/98/21/63/376982163.db2.gz VXFGVXFCVJXHQS-ZNMIVQPWSA-N 2 1 267.461 2.356 20 0 CEADMP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423089783 376982178 /nfs/dbraw/zinc/98/21/78/376982178.db2.gz VXFGVXFCVJXHQS-ZNMIVQPWSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423106019 376998513 /nfs/dbraw/zinc/99/85/13/376998513.db2.gz JCUBJNROJMRQCZ-MNOVXSKESA-N 2 1 280.334 2.076 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423153385 377054217 /nfs/dbraw/zinc/05/42/17/377054217.db2.gz NHPBFEJBJCELSU-FRKNIRMPSA-N 2 1 287.451 2.160 20 0 CEADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000423205096 377122837 /nfs/dbraw/zinc/12/28/37/377122837.db2.gz VILQDFSTOIZUFR-ZFWWWQNUSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000423205096 377122845 /nfs/dbraw/zinc/12/28/45/377122845.db2.gz VILQDFSTOIZUFR-ZFWWWQNUSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@H+]1CCCC1(C)C ZINC000423168931 377074850 /nfs/dbraw/zinc/07/48/50/377074850.db2.gz VLTHSJDTRPPCQA-NVXWUHKLSA-N 2 1 289.467 2.409 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423174561 377084032 /nfs/dbraw/zinc/08/40/32/377084032.db2.gz BBTFUVTZHYELOW-GFCCVEGCSA-N 3 1 276.428 2.161 20 0 CEADMP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423175563 377085197 /nfs/dbraw/zinc/08/51/97/377085197.db2.gz DZWAGJZBIJCKON-NQZOLGFYSA-N 2 1 274.408 2.386 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000563130214 377101822 /nfs/dbraw/zinc/10/18/22/377101822.db2.gz UKLGTBSZFHSYNQ-LBPRGKRZSA-N 2 1 288.420 2.376 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000563130214 377101831 /nfs/dbraw/zinc/10/18/31/377101831.db2.gz UKLGTBSZFHSYNQ-LBPRGKRZSA-N 2 1 288.420 2.376 20 0 CEADMP Fc1cccc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563149574 377106931 /nfs/dbraw/zinc/10/69/31/377106931.db2.gz CMHHIWYYFJMEJI-MRXNPFEDSA-N 2 1 278.371 2.280 20 0 CEADMP Fc1cccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563149574 377106939 /nfs/dbraw/zinc/10/69/39/377106939.db2.gz CMHHIWYYFJMEJI-MRXNPFEDSA-N 2 1 278.371 2.280 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423192768 377107991 /nfs/dbraw/zinc/10/79/91/377107991.db2.gz WFOWPLBZFUFALC-DLBZAZTESA-N 2 1 291.439 2.356 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCC[NH2+]C2CCCCCC2)C1 ZINC000423270540 377189725 /nfs/dbraw/zinc/18/97/25/377189725.db2.gz GQFRIJZAFNAUDY-GOEBONIOSA-N 2 1 267.461 2.229 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C12CCCC2 ZINC000423245173 377164812 /nfs/dbraw/zinc/16/48/12/377164812.db2.gz YGXAFKRPMJOFDV-BFHYXJOUSA-N 2 1 252.402 2.066 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000423258820 377179358 /nfs/dbraw/zinc/17/93/58/377179358.db2.gz COMWIBGBSXQMIT-ZFWWWQNUSA-N 2 1 287.411 2.291 20 0 CEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C1CCOCC1 ZINC000423261962 377179948 /nfs/dbraw/zinc/17/99/48/377179948.db2.gz LEABVIJPTJXPSG-IUODEOHRSA-N 2 1 254.418 2.299 20 0 CEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)[C@H]1CCCOC1 ZINC000423266812 377183950 /nfs/dbraw/zinc/18/39/50/377183950.db2.gz SHFKPIMLKPHLNE-QEJZJMRPSA-N 2 1 254.418 2.299 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423269536 377188954 /nfs/dbraw/zinc/18/89/54/377188954.db2.gz HDPPOYDEYWHPGW-UXLLHSPISA-N 2 1 275.440 2.095 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000423269536 377188959 /nfs/dbraw/zinc/18/89/59/377188959.db2.gz HDPPOYDEYWHPGW-UXLLHSPISA-N 2 1 275.440 2.095 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]C/C=C/c2ccccc2)CC1 ZINC000563419625 377218281 /nfs/dbraw/zinc/21/82/81/377218281.db2.gz YHFIKPJMXAQCIN-VMPITWQZSA-N 2 1 274.408 2.136 20 0 CEADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000423293697 377222833 /nfs/dbraw/zinc/22/28/33/377222833.db2.gz RYWVMKIISAWIGT-LLVKDONJSA-N 2 1 291.395 2.186 20 0 CEADMP COc1cc(C)nc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000563484121 377233381 /nfs/dbraw/zinc/23/33/81/377233381.db2.gz YTJIKBYNJKSVTE-WMLDXEAASA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)nc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000563484121 377233390 /nfs/dbraw/zinc/23/33/90/377233390.db2.gz YTJIKBYNJKSVTE-WMLDXEAASA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000563484121 377233398 /nfs/dbraw/zinc/23/33/98/377233398.db2.gz YTJIKBYNJKSVTE-WMLDXEAASA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)nc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000563484121 377233404 /nfs/dbraw/zinc/23/34/04/377233404.db2.gz YTJIKBYNJKSVTE-WMLDXEAASA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)nc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000563484121 377233411 /nfs/dbraw/zinc/23/34/11/377233411.db2.gz YTJIKBYNJKSVTE-WMLDXEAASA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000563484121 377233415 /nfs/dbraw/zinc/23/34/15/377233415.db2.gz YTJIKBYNJKSVTE-WMLDXEAASA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000563484121 377233423 /nfs/dbraw/zinc/23/34/23/377233423.db2.gz YTJIKBYNJKSVTE-WMLDXEAASA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]CC1([NH3+])CCC1 ZINC000423336629 377268454 /nfs/dbraw/zinc/26/84/54/377268454.db2.gz UUIFTOPGZZVQGD-CYBMUJFWSA-N 2 1 264.344 2.293 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000423313705 377242782 /nfs/dbraw/zinc/24/27/82/377242782.db2.gz XGCOWBCHTFAGRE-CZUORRHYSA-N 2 1 255.365 2.355 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc(OC)c1OC ZINC000423321377 377251807 /nfs/dbraw/zinc/25/18/07/377251807.db2.gz HLWDMOVPKSCTSA-LLVKDONJSA-N 2 1 294.395 2.244 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)CC(C)C ZINC000563631825 377269793 /nfs/dbraw/zinc/26/97/93/377269793.db2.gz OTVTZYFNIKIHAQ-CABCVRRESA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)CC(C)C ZINC000563631825 377269803 /nfs/dbraw/zinc/26/98/03/377269803.db2.gz OTVTZYFNIKIHAQ-CABCVRRESA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)CC(C)C ZINC000563631825 377269810 /nfs/dbraw/zinc/26/98/10/377269810.db2.gz OTVTZYFNIKIHAQ-CABCVRRESA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)CC(C)C ZINC000563631825 377269817 /nfs/dbraw/zinc/26/98/17/377269817.db2.gz OTVTZYFNIKIHAQ-CABCVRRESA-N 2 1 256.434 2.200 20 0 CEADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(-n2cccn2)cc1 ZINC000423334520 377266280 /nfs/dbraw/zinc/26/62/80/377266280.db2.gz WPEFJVNSDHAPGV-WBMJQRKESA-N 2 1 270.380 2.260 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000563966864 377329190 /nfs/dbraw/zinc/32/91/90/377329190.db2.gz ODTPQCRLFDETOS-HNNXBMFYSA-N 2 1 254.418 2.397 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000564300493 377369816 /nfs/dbraw/zinc/36/98/16/377369816.db2.gz RBPHDONSBDLZJM-LJISPDSOSA-N 2 1 254.418 2.264 20 0 CEADMP O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564451204 377393920 /nfs/dbraw/zinc/39/39/20/377393920.db2.gz JHEBWTJBIFUNDV-YESZJQIVSA-N 2 1 286.419 2.297 20 0 CEADMP O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564451204 377393927 /nfs/dbraw/zinc/39/39/27/377393927.db2.gz JHEBWTJBIFUNDV-YESZJQIVSA-N 2 1 286.419 2.297 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)c3ccccc3)C2)C1 ZINC000293056353 377410055 /nfs/dbraw/zinc/41/00/55/377410055.db2.gz UIBUOBOYOBJAMI-IAGOWNOFSA-N 2 1 274.408 2.138 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)c3ccccc3)C2)C1 ZINC000293056353 377410063 /nfs/dbraw/zinc/41/00/63/377410063.db2.gz UIBUOBOYOBJAMI-IAGOWNOFSA-N 2 1 274.408 2.138 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)c3ccccc3)C2)C1 ZINC000293056353 377410071 /nfs/dbraw/zinc/41/00/71/377410071.db2.gz UIBUOBOYOBJAMI-IAGOWNOFSA-N 2 1 274.408 2.138 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000685583837 542164078 /nfs/dbraw/zinc/16/40/78/542164078.db2.gz CTTKPNRYVXYQPP-MRXNPFEDSA-N 2 1 276.424 2.309 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000685583837 542164081 /nfs/dbraw/zinc/16/40/81/542164081.db2.gz CTTKPNRYVXYQPP-MRXNPFEDSA-N 2 1 276.424 2.309 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)C(C)(C)c1ccccc1)C1CC1 ZINC000685583837 542164086 /nfs/dbraw/zinc/16/40/86/542164086.db2.gz CTTKPNRYVXYQPP-MRXNPFEDSA-N 2 1 276.424 2.309 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)C(C)(C)c1ccccc1)C1CC1 ZINC000685583837 542164090 /nfs/dbraw/zinc/16/40/90/542164090.db2.gz CTTKPNRYVXYQPP-MRXNPFEDSA-N 2 1 276.424 2.309 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)c1ccccc1F)C1CC1 ZINC000564849955 377475039 /nfs/dbraw/zinc/47/50/39/377475039.db2.gz ZCFRAPCUZSKYJP-AWEZNQCLSA-N 2 1 294.414 2.148 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)c1ccccc1F)C1CC1 ZINC000564849955 377475042 /nfs/dbraw/zinc/47/50/42/377475042.db2.gz ZCFRAPCUZSKYJP-AWEZNQCLSA-N 2 1 294.414 2.148 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430949874 377569797 /nfs/dbraw/zinc/56/97/97/377569797.db2.gz PDOGSJSWPYUQMA-FZMZJTMJSA-N 2 1 293.386 2.132 20 0 CEADMP CC(=O)c1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)on1 ZINC000565160683 377578373 /nfs/dbraw/zinc/57/83/73/377578373.db2.gz CQZVLQZLXALHFL-UHFFFAOYSA-N 2 1 293.411 2.429 20 0 CEADMP CC(=O)c1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)on1 ZINC000565160683 377578381 /nfs/dbraw/zinc/57/83/81/377578381.db2.gz CQZVLQZLXALHFL-UHFFFAOYSA-N 2 1 293.411 2.429 20 0 CEADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000332384231 377584051 /nfs/dbraw/zinc/58/40/51/377584051.db2.gz ZITYCEGXFOAYAK-IJEWVQPXSA-N 2 1 291.443 2.200 20 0 CEADMP CCCOc1ncccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565226830 377617361 /nfs/dbraw/zinc/61/73/61/377617361.db2.gz RASBMONSWTVGIX-ZIAGYGMSSA-N 2 1 263.385 2.230 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ncc[nH]1 ZINC000285802354 542216902 /nfs/dbraw/zinc/21/69/02/542216902.db2.gz VIRYAGVRWCZAPZ-GFCCVEGCSA-N 2 1 258.369 2.322 20 0 CEADMP C[C@H](CC[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000313401031 249394884 /nfs/dbraw/zinc/39/48/84/249394884.db2.gz TYGKSRJMUUKEOR-GDBMZVCRSA-N 2 1 262.397 2.230 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000431552797 377651826 /nfs/dbraw/zinc/65/18/26/377651826.db2.gz KTITVQOAFAGFDP-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H](CCCC[NH3+])NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000565706683 377688162 /nfs/dbraw/zinc/68/81/62/377688162.db2.gz UVAHPQIVECMXHS-AWEZNQCLSA-N 2 1 298.475 2.020 20 0 CEADMP C[C@H]1SCC[N@@H+](CCCc2cncn2C)[C@H]1C ZINC000566922591 377783360 /nfs/dbraw/zinc/78/33/60/377783360.db2.gz TXZPIPQNJCDEEL-NWDGAFQWSA-N 2 1 253.415 2.179 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3cnn(C)c3c2)CC[N@H+]1C ZINC000566771344 377767833 /nfs/dbraw/zinc/76/78/33/377767833.db2.gz AKUSFZCVFQVCBV-WFASDCNBSA-N 2 1 272.396 2.146 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3cnn(C)c3c2)CC[N@H+]1C ZINC000566771342 377767897 /nfs/dbraw/zinc/76/78/97/377767897.db2.gz AKUSFZCVFQVCBV-IUODEOHRSA-N 2 1 272.396 2.146 20 0 CEADMP C[C@H](O)C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000566850927 377774846 /nfs/dbraw/zinc/77/48/46/377774846.db2.gz DZQVMFAEZSAJBO-VYDXJSESSA-N 2 1 276.424 2.258 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000566976343 377789024 /nfs/dbraw/zinc/78/90/24/377789024.db2.gz PUNPHMOHEWNXPM-BBWFWOEESA-N 2 1 280.456 2.201 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000566976343 377789030 /nfs/dbraw/zinc/78/90/30/377789030.db2.gz PUNPHMOHEWNXPM-BBWFWOEESA-N 2 1 280.456 2.201 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000566976343 377789039 /nfs/dbraw/zinc/78/90/39/377789039.db2.gz PUNPHMOHEWNXPM-BBWFWOEESA-N 2 1 280.456 2.201 20 0 CEADMP CSc1ccc(OCC[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442758033 377990910 /nfs/dbraw/zinc/99/09/10/377990910.db2.gz IEKOCYWTZQKRSD-QWHCGFSZSA-N 2 1 280.437 2.456 20 0 CEADMP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057614 378031234 /nfs/dbraw/zinc/03/12/34/378031234.db2.gz HJKWIYJXBZHZJR-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP Cc1cccnc1CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000295137517 378044910 /nfs/dbraw/zinc/04/49/10/378044910.db2.gz ZISJUDMGEIIOTH-UHFFFAOYSA-N 2 1 270.380 2.183 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000443433721 378052667 /nfs/dbraw/zinc/05/26/67/378052667.db2.gz WAAQENBYCMNHBT-UONOGXRCSA-N 2 1 298.394 2.009 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000443433721 378052668 /nfs/dbraw/zinc/05/26/68/378052668.db2.gz WAAQENBYCMNHBT-UONOGXRCSA-N 2 1 298.394 2.009 20 0 CEADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](C)[C@@H](C)C2)C[C@@H]1C ZINC000447300232 378099270 /nfs/dbraw/zinc/09/92/70/378099270.db2.gz WPUPZNZJLJNODO-QEOTZNIISA-N 2 1 282.472 2.303 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](C)[C@@H](C)C2)C[C@@H]1C ZINC000447300232 378099274 /nfs/dbraw/zinc/09/92/74/378099274.db2.gz WPUPZNZJLJNODO-QEOTZNIISA-N 2 1 282.472 2.303 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CC[C@H](C)[C@@H](C)C2)C[C@@H]1C ZINC000447300232 378099276 /nfs/dbraw/zinc/09/92/76/378099276.db2.gz WPUPZNZJLJNODO-QEOTZNIISA-N 2 1 282.472 2.303 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449361262 378204350 /nfs/dbraw/zinc/20/43/50/378204350.db2.gz JBFMTDWOQHANCH-JYJNAYRXSA-N 2 1 295.471 2.084 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000450646281 378516524 /nfs/dbraw/zinc/51/65/24/378516524.db2.gz HNTZFGFUHMOPGQ-PMPSAXMXSA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000450646281 378516532 /nfs/dbraw/zinc/51/65/32/378516532.db2.gz HNTZFGFUHMOPGQ-PMPSAXMXSA-N 2 1 267.461 2.274 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2ccccc2)[C@@H](C)C1 ZINC000266117929 190231983 /nfs/dbraw/zinc/23/19/83/190231983.db2.gz OKUAUJVUEYPOKX-BHYGNILZSA-N 2 1 276.424 2.214 20 0 CEADMP C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450730741 378552093 /nfs/dbraw/zinc/55/20/93/378552093.db2.gz XNCIJEVTEAOMSZ-RRFJBIMHSA-N 2 1 268.445 2.390 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000297791480 378689423 /nfs/dbraw/zinc/68/94/23/378689423.db2.gz PYXASTBOMBIWPZ-HOCLYGCPSA-N 2 1 289.427 2.339 20 0 CEADMP CC(C)[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@@H]1C(C)C ZINC000453035426 378781257 /nfs/dbraw/zinc/78/12/57/378781257.db2.gz KBSNDPSXQKLOIK-HRCADAONSA-N 2 1 268.445 2.054 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@@H]1C(C)C ZINC000453035426 378781261 /nfs/dbraw/zinc/78/12/61/378781261.db2.gz KBSNDPSXQKLOIK-HRCADAONSA-N 2 1 268.445 2.054 20 0 CEADMP CC(C)[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@@H]1C(C)C ZINC000453035426 378781267 /nfs/dbraw/zinc/78/12/67/378781267.db2.gz KBSNDPSXQKLOIK-HRCADAONSA-N 2 1 268.445 2.054 20 0 CEADMP CC(C)[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H]1C(C)C ZINC000453035426 378781273 /nfs/dbraw/zinc/78/12/73/378781273.db2.gz KBSNDPSXQKLOIK-HRCADAONSA-N 2 1 268.445 2.054 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000266226060 190241431 /nfs/dbraw/zinc/24/14/31/190241431.db2.gz RUQHRHFEEOQVFG-AWEZNQCLSA-N 2 1 262.401 2.262 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000266226060 190241432 /nfs/dbraw/zinc/24/14/32/190241432.db2.gz RUQHRHFEEOQVFG-AWEZNQCLSA-N 2 1 262.401 2.262 20 0 CEADMP CC(C)c1nc([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)no1 ZINC000346823959 218025286 /nfs/dbraw/zinc/02/52/86/218025286.db2.gz KGGLQWSWDJCABZ-CQSZACIVSA-N 2 1 292.427 2.372 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2cnccn2)C1 ZINC000453161394 378821065 /nfs/dbraw/zinc/82/10/65/378821065.db2.gz AUGOQIWKLNIEMF-CVEARBPZSA-N 2 1 290.455 2.365 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2cnccn2)C1 ZINC000453161395 378821711 /nfs/dbraw/zinc/82/17/11/378821711.db2.gz AUGOQIWKLNIEMF-HOTGVXAUSA-N 2 1 290.455 2.365 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000346836162 218030103 /nfs/dbraw/zinc/03/01/03/218030103.db2.gz OUACMWSSDNBXAY-NEPJUHHUSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000346836162 218030105 /nfs/dbraw/zinc/03/01/05/218030105.db2.gz OUACMWSSDNBXAY-NEPJUHHUSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346845097 218035062 /nfs/dbraw/zinc/03/50/62/218035062.db2.gz ZDVLHONYRZKNFM-BVUBDWEXSA-N 2 1 266.429 2.108 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000453291132 378855723 /nfs/dbraw/zinc/85/57/23/378855723.db2.gz NXUQHTFJRRWUSZ-KGLIPLIRSA-N 2 1 261.413 2.289 20 0 CEADMP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000453311230 378861145 /nfs/dbraw/zinc/86/11/45/378861145.db2.gz SBTLBYGYZUONNV-GDBMZVCRSA-N 2 1 261.413 2.252 20 0 CEADMP Cn1ccnc1[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CC1 ZINC000453389403 378882901 /nfs/dbraw/zinc/88/29/01/378882901.db2.gz CGZOAWANNQUSPA-HNNXBMFYSA-N 2 1 276.428 2.335 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c2nccn21 ZINC000453363509 378874563 /nfs/dbraw/zinc/87/45/63/378874563.db2.gz RPDRNWNFTOVSRL-SEBNEYGDSA-N 2 1 274.412 2.351 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c2nccn21 ZINC000453363509 378874570 /nfs/dbraw/zinc/87/45/70/378874570.db2.gz RPDRNWNFTOVSRL-SEBNEYGDSA-N 2 1 274.412 2.351 20 0 CEADMP CCn1nc(C)c(C[NH2+]CCCC[N@@H+](C)C2CC2)c1C ZINC000453597534 378916704 /nfs/dbraw/zinc/91/67/04/378916704.db2.gz OAXYFBNLTCTXGA-UHFFFAOYSA-N 2 1 278.444 2.484 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000346995459 218084962 /nfs/dbraw/zinc/08/49/62/218084962.db2.gz BZGYIBNDHBSLNN-WWGRRREGSA-N 2 1 262.397 2.468 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2OCCOC)C1 ZINC000347034438 218099018 /nfs/dbraw/zinc/09/90/18/218099018.db2.gz GACCWHBPSRGWLT-HNNXBMFYSA-N 2 1 292.423 2.143 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2OCCOC)C1 ZINC000347034438 218099021 /nfs/dbraw/zinc/09/90/21/218099021.db2.gz GACCWHBPSRGWLT-HNNXBMFYSA-N 2 1 292.423 2.143 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000347033058 218099079 /nfs/dbraw/zinc/09/90/79/218099079.db2.gz FGFDXEXEPXZRPC-GFCCVEGCSA-N 2 1 288.313 2.408 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000347067321 218111719 /nfs/dbraw/zinc/11/17/19/218111719.db2.gz MHXZHWSAAKKRJN-STQMWFEESA-N 2 1 276.380 2.017 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000347067321 218111722 /nfs/dbraw/zinc/11/17/22/218111722.db2.gz MHXZHWSAAKKRJN-STQMWFEESA-N 2 1 276.380 2.017 20 0 CEADMP C[NH2+]C1CC[NH+](Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000347230731 218162829 /nfs/dbraw/zinc/16/28/29/218162829.db2.gz XSFCLZUMWJBKGL-UHFFFAOYSA-N 2 1 262.397 2.496 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1OC ZINC000347199325 218153371 /nfs/dbraw/zinc/15/33/71/218153371.db2.gz IZATUGSDCSFJPG-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1OC ZINC000347199325 218153374 /nfs/dbraw/zinc/15/33/74/218153374.db2.gz IZATUGSDCSFJPG-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP COC1CC([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000347421875 218229373 /nfs/dbraw/zinc/22/93/73/218229373.db2.gz PLGFNDGPWKUXQC-WLYUNCDWSA-N 2 1 252.402 2.018 20 0 CEADMP COC1CC([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000347421875 218229376 /nfs/dbraw/zinc/22/93/76/218229376.db2.gz PLGFNDGPWKUXQC-WLYUNCDWSA-N 2 1 252.402 2.018 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000347463539 218242618 /nfs/dbraw/zinc/24/26/18/218242618.db2.gz HTXNECDFQHKOGI-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000347463539 218242619 /nfs/dbraw/zinc/24/26/19/218242619.db2.gz HTXNECDFQHKOGI-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000347463539 218242622 /nfs/dbraw/zinc/24/26/22/218242622.db2.gz HTXNECDFQHKOGI-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cncc(F)c1 ZINC000300411271 379166986 /nfs/dbraw/zinc/16/69/86/379166986.db2.gz MHAPCRQOOHUEEJ-GLQYFDAESA-N 2 1 263.360 2.498 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cncc(F)c1 ZINC000300411271 379166997 /nfs/dbraw/zinc/16/69/97/379166997.db2.gz MHAPCRQOOHUEEJ-GLQYFDAESA-N 2 1 263.360 2.498 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000300414068 379169015 /nfs/dbraw/zinc/16/90/15/379169015.db2.gz IYLIWKTWDJNYNZ-HZSPNIEDSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000514947646 379169624 /nfs/dbraw/zinc/16/96/24/379169624.db2.gz GOCCBQOEERVMAQ-JSGCOSHPSA-N 2 1 294.443 2.071 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H]1C(C)C ZINC000515433491 379218409 /nfs/dbraw/zinc/21/84/09/379218409.db2.gz YJNYTRKPKGXXKH-HRCADAONSA-N 2 1 270.461 2.300 20 0 CEADMP CC(C)[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@@H]1C(C)C ZINC000515433491 379218422 /nfs/dbraw/zinc/21/84/22/379218422.db2.gz YJNYTRKPKGXXKH-HRCADAONSA-N 2 1 270.461 2.300 20 0 CEADMP CC(C)[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H]1C(C)C ZINC000515433491 379218432 /nfs/dbraw/zinc/21/84/32/379218432.db2.gz YJNYTRKPKGXXKH-HRCADAONSA-N 2 1 270.461 2.300 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000266520870 190263912 /nfs/dbraw/zinc/26/39/12/190263912.db2.gz IHEGWQJMILYXHD-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000266520870 190263913 /nfs/dbraw/zinc/26/39/13/190263913.db2.gz IHEGWQJMILYXHD-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCC2CCC2)[C@@H](C)C1 ZINC000516696297 379303982 /nfs/dbraw/zinc/30/39/82/379303982.db2.gz VZXZVNYDWYWNPD-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)[N@@H+](C)CCCNCc1ccc2c(n1)CCC2 ZINC000516733893 379308891 /nfs/dbraw/zinc/30/88/91/379308891.db2.gz BIZUEIWLSGUYBF-UHFFFAOYSA-N 2 1 261.413 2.390 20 0 CEADMP C[NH+](C)CC(C)(C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000517698909 379374045 /nfs/dbraw/zinc/37/40/45/379374045.db2.gz WFRZOSRPVIPWKR-UHFFFAOYSA-N 2 1 283.460 2.097 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]21 ZINC000302381103 379363004 /nfs/dbraw/zinc/36/30/04/379363004.db2.gz IIBNDYCLASYPJX-FDYHWXHSSA-N 2 1 258.356 2.481 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cscn1 ZINC000278967132 194234515 /nfs/dbraw/zinc/23/45/15/194234515.db2.gz NBXKHOHLXYZFOL-GHMZBOCLSA-N 2 1 262.382 2.253 20 0 CEADMP CC[C@@H](C(=O)NCCCCn1cc[nH+]c1C)[NH+](CC)CC ZINC000266807128 190281684 /nfs/dbraw/zinc/28/16/84/190281684.db2.gz BVHWPAAXVFFXMP-HNNXBMFYSA-N 2 1 294.443 2.208 20 0 CEADMP COc1cccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000267194274 190310618 /nfs/dbraw/zinc/31/06/18/190310618.db2.gz DQXXGGXUKHGBRS-CQSZACIVSA-N 2 1 292.423 2.193 20 0 CEADMP Cc1ccc(C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)C)cc1 ZINC000305144967 379659303 /nfs/dbraw/zinc/65/93/03/379659303.db2.gz RLHFOCNAPVGBSH-IAGOWNOFSA-N 2 1 278.440 2.074 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000527227261 379736956 /nfs/dbraw/zinc/73/69/56/379736956.db2.gz DRQLGWWVEGPBES-KKUMJFAQSA-N 2 1 254.418 2.123 20 0 CEADMP CCC1(CO)CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000305715379 379737998 /nfs/dbraw/zinc/73/79/98/379737998.db2.gz GZVPPNHPZJOCCU-UHFFFAOYSA-N 2 1 279.428 2.456 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000347787735 218357548 /nfs/dbraw/zinc/35/75/48/218357548.db2.gz XEEVCPYJGUOPMP-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP CCC[NH+]1CCC(NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000528014252 379875845 /nfs/dbraw/zinc/87/58/45/379875845.db2.gz UHETXSVXVVJQQZ-KRWDZBQOSA-N 2 1 279.472 2.467 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458225833 380051921 /nfs/dbraw/zinc/05/19/21/380051921.db2.gz SFPQHSVIDGJMQD-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)c1nc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)no1 ZINC000333865879 380167303 /nfs/dbraw/zinc/16/73/03/380167303.db2.gz QZAPHXPJFIHAHP-STQMWFEESA-N 2 1 278.400 2.330 20 0 CEADMP CC(C)c1nc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)no1 ZINC000333865879 380167308 /nfs/dbraw/zinc/16/73/08/380167308.db2.gz QZAPHXPJFIHAHP-STQMWFEESA-N 2 1 278.400 2.330 20 0 CEADMP COCC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCO[C@@H]1C ZINC000489434500 380190106 /nfs/dbraw/zinc/19/01/06/380190106.db2.gz SVZZSCLQTSVSAA-GDBMZVCRSA-N 2 1 295.427 2.098 20 0 CEADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCO[C@@H]1C ZINC000489434500 380190113 /nfs/dbraw/zinc/19/01/13/380190113.db2.gz SVZZSCLQTSVSAA-GDBMZVCRSA-N 2 1 295.427 2.098 20 0 CEADMP CC[N@H+]1CCN(C(=O)c2cccc(-n3ccnc3)c2)[C@H](C)C1 ZINC000334437107 380410051 /nfs/dbraw/zinc/41/00/51/380410051.db2.gz QSZXQLSIYOMXEO-CQSZACIVSA-N 2 1 298.390 2.039 20 0 CEADMP CCN1CCN(C(=O)c2cccc(-n3ccnc3)c2)[C@H](C)C1 ZINC000334437107 380410056 /nfs/dbraw/zinc/41/00/56/380410056.db2.gz QSZXQLSIYOMXEO-CQSZACIVSA-N 2 1 298.390 2.039 20 0 CEADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C[NH+]1CCC(C)CC1 ZINC000548125755 380487719 /nfs/dbraw/zinc/48/77/19/380487719.db2.gz PHIJQKCFDDLOKS-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548392687 380509379 /nfs/dbraw/zinc/50/93/79/380509379.db2.gz GSEXFZQFYAUAIJ-LSDHHAIUSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548392687 380509385 /nfs/dbraw/zinc/50/93/85/380509385.db2.gz GSEXFZQFYAUAIJ-LSDHHAIUSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548392687 380509390 /nfs/dbraw/zinc/50/93/90/380509390.db2.gz GSEXFZQFYAUAIJ-LSDHHAIUSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000548063967 380481702 /nfs/dbraw/zinc/48/17/02/380481702.db2.gz UCJIDDFZQQRISL-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000548063967 380481713 /nfs/dbraw/zinc/48/17/13/380481713.db2.gz UCJIDDFZQQRISL-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000548063967 380481718 /nfs/dbraw/zinc/48/17/18/380481718.db2.gz UCJIDDFZQQRISL-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3cncs3)CC[C@@H]21 ZINC000334562759 380599922 /nfs/dbraw/zinc/59/99/22/380599922.db2.gz ZOCLHCREXUKSPM-OCCSQVGLSA-N 2 1 265.426 2.102 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3cncs3)CC[C@@H]21 ZINC000334562759 380599932 /nfs/dbraw/zinc/59/99/32/380599932.db2.gz ZOCLHCREXUKSPM-OCCSQVGLSA-N 2 1 265.426 2.102 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cncs3)CC[C@@H]21 ZINC000334562759 380599936 /nfs/dbraw/zinc/59/99/36/380599936.db2.gz ZOCLHCREXUKSPM-OCCSQVGLSA-N 2 1 265.426 2.102 20 0 CEADMP C1CC2(CCOCC2)[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000554560777 380782531 /nfs/dbraw/zinc/78/25/31/380782531.db2.gz GLPGRRBAYPUHCM-RRFJBIMHSA-N 2 1 264.413 2.162 20 0 CEADMP C1CC2(CCOCC2)[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000554560777 380782537 /nfs/dbraw/zinc/78/25/37/380782537.db2.gz GLPGRRBAYPUHCM-RRFJBIMHSA-N 2 1 264.413 2.162 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000555880360 380853989 /nfs/dbraw/zinc/85/39/89/380853989.db2.gz LEAYZULKNAOGSY-GJZGRUSLSA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000555880360 380853997 /nfs/dbraw/zinc/85/39/97/380853997.db2.gz LEAYZULKNAOGSY-GJZGRUSLSA-N 2 1 264.413 2.267 20 0 CEADMP CC1=CC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000556257100 380888732 /nfs/dbraw/zinc/88/87/32/380888732.db2.gz VCDWMYDTJPEZDA-OAHLLOKOSA-N 2 1 265.445 2.101 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)n2c1 ZINC000334843299 207172038 /nfs/dbraw/zinc/17/20/38/207172038.db2.gz OKDIUNNKOJJMPL-CQSZACIVSA-N 2 1 272.396 2.120 20 0 CEADMP C[C@H]1COc2ccccc2C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000334967758 207382067 /nfs/dbraw/zinc/38/20/67/207382067.db2.gz JRXAPSJSDAWWEU-UONOGXRCSA-N 2 1 260.381 2.269 20 0 CEADMP CCc1ncc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000335269708 208068352 /nfs/dbraw/zinc/06/83/52/208068352.db2.gz OMFMCUSMOUHVDJ-TXEJJXNPSA-N 2 1 265.426 2.137 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1cscn1)CC[NH2+]CC2 ZINC000335282241 208095568 /nfs/dbraw/zinc/09/55/68/208095568.db2.gz VWSOSAMUJJUOSH-NSHDSACASA-N 2 1 251.399 2.107 20 0 CEADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000289362854 197312769 /nfs/dbraw/zinc/31/27/69/197312769.db2.gz NFWVBMGYAGOYCJ-YOEHRIQHSA-N 2 1 276.424 2.409 20 0 CEADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000289362854 197312771 /nfs/dbraw/zinc/31/27/71/197312771.db2.gz NFWVBMGYAGOYCJ-YOEHRIQHSA-N 2 1 276.424 2.409 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(N)=O)c2)C[C@H]1C ZINC000353753668 220304391 /nfs/dbraw/zinc/30/43/91/220304391.db2.gz XJVYVSIUXPDTAA-CJNGLKHVSA-N 2 1 289.423 2.090 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(N)=O)c2)C[C@H]1C ZINC000353753668 220304393 /nfs/dbraw/zinc/30/43/93/220304393.db2.gz XJVYVSIUXPDTAA-CJNGLKHVSA-N 2 1 289.423 2.090 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(N)=O)c2)C[C@H]1C ZINC000353753668 220304397 /nfs/dbraw/zinc/30/43/97/220304397.db2.gz XJVYVSIUXPDTAA-CJNGLKHVSA-N 2 1 289.423 2.090 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(N)=O)c2)C[C@H]1C ZINC000353753668 220304398 /nfs/dbraw/zinc/30/43/98/220304398.db2.gz XJVYVSIUXPDTAA-CJNGLKHVSA-N 2 1 289.423 2.090 20 0 CEADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000289305994 197290961 /nfs/dbraw/zinc/29/09/61/197290961.db2.gz DJHLNOSUGWBOJZ-HIFRSBDPSA-N 2 1 262.397 2.101 20 0 CEADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289305994 197290963 /nfs/dbraw/zinc/29/09/63/197290963.db2.gz DJHLNOSUGWBOJZ-HIFRSBDPSA-N 2 1 262.397 2.101 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000337409877 285150150 /nfs/dbraw/zinc/15/01/50/285150150.db2.gz VLTYVHKJCOZDPF-NWANDNLSSA-N 2 1 254.418 2.121 20 0 CEADMP O[C@H](C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)C1CCCCC1 ZINC000368972580 285354598 /nfs/dbraw/zinc/35/45/98/285354598.db2.gz GEQLIQYATRJRSW-VSZNYVQBSA-N 2 1 292.467 2.344 20 0 CEADMP O[C@H](C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)C1CCCCC1 ZINC000368972580 285354599 /nfs/dbraw/zinc/35/45/99/285354599.db2.gz GEQLIQYATRJRSW-VSZNYVQBSA-N 2 1 292.467 2.344 20 0 CEADMP O[C@H](C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)C1CCCCC1 ZINC000368972580 285354601 /nfs/dbraw/zinc/35/46/01/285354601.db2.gz GEQLIQYATRJRSW-VSZNYVQBSA-N 2 1 292.467 2.344 20 0 CEADMP CC(C)Cn1cc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000366749857 130072540 /nfs/dbraw/zinc/07/25/40/130072540.db2.gz HRHWCHNNXFENKX-AWEZNQCLSA-N 2 1 287.411 2.088 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000355432542 394451441 /nfs/dbraw/zinc/45/14/41/394451441.db2.gz KPEZEBPVTSUFMD-KFWWJZLASA-N 2 1 283.460 2.094 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000299973868 394453209 /nfs/dbraw/zinc/45/32/09/394453209.db2.gz BNPJBCKJJZBELL-MGPQQGTHSA-N 2 1 252.402 2.147 20 0 CEADMP CC(C)[NH+]1CCC(N[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000036908337 394495560 /nfs/dbraw/zinc/49/55/60/394495560.db2.gz CUMPQRMUCGLVGT-FMKPAKJESA-N 2 1 267.461 2.178 20 0 CEADMP CCC[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000037539160 394497029 /nfs/dbraw/zinc/49/70/29/394497029.db2.gz NSVRWBFLWXBIAF-GOEBONIOSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000037539160 394497031 /nfs/dbraw/zinc/49/70/31/394497031.db2.gz NSVRWBFLWXBIAF-GOEBONIOSA-N 2 1 295.471 2.145 20 0 CEADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1OC ZINC000044534879 394506650 /nfs/dbraw/zinc/50/66/50/394506650.db2.gz UIFXAYLCJOFYRO-CYBMUJFWSA-N 2 1 278.396 2.135 20 0 CEADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1OC ZINC000044534879 394506652 /nfs/dbraw/zinc/50/66/52/394506652.db2.gz UIFXAYLCJOFYRO-CYBMUJFWSA-N 2 1 278.396 2.135 20 0 CEADMP COc1ccc(OC)c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000044534696 394506971 /nfs/dbraw/zinc/50/69/71/394506971.db2.gz MDYMHTSFPMZRHZ-ZDUSSCGKSA-N 2 1 278.396 2.135 20 0 CEADMP COc1ccc(OC)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000044534696 394506974 /nfs/dbraw/zinc/50/69/74/394506974.db2.gz MDYMHTSFPMZRHZ-ZDUSSCGKSA-N 2 1 278.396 2.135 20 0 CEADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc(OC)c1 ZINC000044534175 394507016 /nfs/dbraw/zinc/50/70/16/394507016.db2.gz NXUJIUAKUSNCST-ZDUSSCGKSA-N 2 1 278.396 2.135 20 0 CEADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc(OC)c1 ZINC000044534175 394507017 /nfs/dbraw/zinc/50/70/17/394507017.db2.gz NXUJIUAKUSNCST-ZDUSSCGKSA-N 2 1 278.396 2.135 20 0 CEADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])c1cccs1 ZINC000250355371 394562775 /nfs/dbraw/zinc/56/27/75/394562775.db2.gz NBEKRVNITJUZIP-YNEHKIRRSA-N 2 1 267.442 2.068 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000356223999 394564779 /nfs/dbraw/zinc/56/47/79/394564779.db2.gz QGURTSHRVXROJG-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000252895704 394574654 /nfs/dbraw/zinc/57/46/54/394574654.db2.gz ZIRWYKUASHNZDH-MLGOLLRUSA-N 2 1 275.396 2.075 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCCO1 ZINC000356676664 394584814 /nfs/dbraw/zinc/58/48/14/394584814.db2.gz CKRFMFAGXWVUBU-DOMZBBRYSA-N 2 1 252.402 2.160 20 0 CEADMP CCSCC[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000355755215 394522151 /nfs/dbraw/zinc/52/21/51/394522151.db2.gz NUZZTJQFXLPLLN-UHFFFAOYSA-N 2 1 274.474 2.219 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](OC)C23CCC3)CC1 ZINC000308372829 394526489 /nfs/dbraw/zinc/52/64/89/394526489.db2.gz RHECRUBMBVKQSN-KBPBESRZSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H]1CCCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000311094062 394536031 /nfs/dbraw/zinc/53/60/31/394536031.db2.gz QMCVMOITIBQIGQ-ZFWWWQNUSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@H]1CCCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000311094062 394536034 /nfs/dbraw/zinc/53/60/34/394536034.db2.gz QMCVMOITIBQIGQ-ZFWWWQNUSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@H]1CCCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000311094062 394536036 /nfs/dbraw/zinc/53/60/36/394536036.db2.gz QMCVMOITIBQIGQ-ZFWWWQNUSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@H]1CCCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000311094062 394536039 /nfs/dbraw/zinc/53/60/39/394536039.db2.gz QMCVMOITIBQIGQ-ZFWWWQNUSA-N 2 1 254.418 2.096 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(OC)c2)C1 ZINC000312258415 394540741 /nfs/dbraw/zinc/54/07/41/394540741.db2.gz BAWOKOUXHXSWBI-GFCCVEGCSA-N 2 1 266.360 2.266 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(OC)c2)C1 ZINC000312258415 394540743 /nfs/dbraw/zinc/54/07/43/394540743.db2.gz BAWOKOUXHXSWBI-GFCCVEGCSA-N 2 1 266.360 2.266 20 0 CEADMP CCOc1ccc(C[N@H+](C)CCC[NH2+]C)cc1F ZINC000258794612 394598065 /nfs/dbraw/zinc/59/80/65/394598065.db2.gz QNEZHWRDGOKFOP-UHFFFAOYSA-N 2 1 254.349 2.266 20 0 CEADMP CCOc1ccc(C[N@@H+](C)CCC[NH2+]C)cc1F ZINC000258794612 394598071 /nfs/dbraw/zinc/59/80/71/394598071.db2.gz QNEZHWRDGOKFOP-UHFFFAOYSA-N 2 1 254.349 2.266 20 0 CEADMP COc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1Br ZINC000258828381 394598088 /nfs/dbraw/zinc/59/80/88/394598088.db2.gz LYZGONXSETYHED-UHFFFAOYSA-N 2 1 287.201 2.285 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000356802065 394618679 /nfs/dbraw/zinc/61/86/79/394618679.db2.gz GHKOUGVGGYMHNL-LSDHHAIUSA-N 2 1 297.487 2.486 20 0 CEADMP C[C@H]1CCC[C@](C[NH2+]CC2(C)COC2)([NH+](C)C)C1 ZINC000079473960 394631403 /nfs/dbraw/zinc/63/14/03/394631403.db2.gz HMFALXIGRLEXRP-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH2+]C(C)(C)CC)C[C@@H]1C ZINC000356849686 394631522 /nfs/dbraw/zinc/63/15/22/394631522.db2.gz VIENXVGPIHBCKE-KKUMJFAQSA-N 2 1 297.487 2.484 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CCC[N@H+](C2CCCC2)CC1 ZINC000414694555 394748454 /nfs/dbraw/zinc/74/84/54/394748454.db2.gz OBZRGVVWRPYZQQ-HNNXBMFYSA-N 2 1 267.461 2.310 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422736512 394748810 /nfs/dbraw/zinc/74/88/10/394748810.db2.gz GKRUEDLEKREKNH-QLFBSQMISA-N 2 1 253.434 2.110 20 0 CEADMP CCCC[N@@H+](C)CCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422717119 394737264 /nfs/dbraw/zinc/73/72/64/394737264.db2.gz VLUVADAXCGACEI-NVXWUHKLSA-N 2 1 277.456 2.266 20 0 CEADMP CCCC[N@@H+](C)CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422717117 394737296 /nfs/dbraw/zinc/73/72/96/394737296.db2.gz VLUVADAXCGACEI-DOTOQJQBSA-N 2 1 277.456 2.266 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414697890 394749189 /nfs/dbraw/zinc/74/91/89/394749189.db2.gz COMYRMFPDSVMMP-JYJNAYRXSA-N 2 1 295.471 2.084 20 0 CEADMP COc1ccc2cc(C[N@@H+](C)CCOCC[NH3+])ccc2c1 ZINC000357028738 394686912 /nfs/dbraw/zinc/68/69/12/394686912.db2.gz MQDVXDWSCDSKKH-UHFFFAOYSA-N 2 1 288.391 2.256 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000335172576 394746113 /nfs/dbraw/zinc/74/61/13/394746113.db2.gz ZJBQGSLDWDBFNZ-HOCLYGCPSA-N 2 1 266.429 2.146 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000335172576 394746117 /nfs/dbraw/zinc/74/61/17/394746117.db2.gz ZJBQGSLDWDBFNZ-HOCLYGCPSA-N 2 1 266.429 2.146 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000414087267 394699608 /nfs/dbraw/zinc/69/96/08/394699608.db2.gz BFGNWINAGCLGSK-AWEZNQCLSA-N 2 1 279.428 2.343 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000414087267 394699610 /nfs/dbraw/zinc/69/96/10/394699610.db2.gz BFGNWINAGCLGSK-AWEZNQCLSA-N 2 1 279.428 2.343 20 0 CEADMP C(C[N@H+]1CCC[C@]2(CCCOC2)C1)C1CC[NH2+]CC1 ZINC000334600204 394699928 /nfs/dbraw/zinc/69/99/28/394699928.db2.gz CLIKMETZAQWTER-INIZCTEOSA-N 2 1 266.429 2.269 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414127653 394710224 /nfs/dbraw/zinc/71/02/24/394710224.db2.gz SIJMIXZEMNTZPL-CWRNSKLLSA-N 2 1 296.842 2.488 20 0 CEADMP COCCOc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422562021 394711461 /nfs/dbraw/zinc/71/14/61/394711461.db2.gz OZMMGJPDMYKBJQ-UHFFFAOYSA-N 2 1 290.407 2.040 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(-n3cncn3)cc2)C[C@H]1C[NH3+] ZINC000422563627 394712988 /nfs/dbraw/zinc/71/29/88/394712988.db2.gz UAAKQTXUFLBSFZ-IIAWOOMASA-N 2 1 299.422 2.073 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000358411514 394721426 /nfs/dbraw/zinc/72/14/26/394721426.db2.gz ZGKNIAUBFCQRLY-IIAWOOMASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000358411514 394721431 /nfs/dbraw/zinc/72/14/31/394721431.db2.gz ZGKNIAUBFCQRLY-IIAWOOMASA-N 2 1 295.471 2.096 20 0 CEADMP CCn1ccnc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414173610 394722810 /nfs/dbraw/zinc/72/28/10/394722810.db2.gz FYOFDZILIFNZOF-ZIAGYGMSSA-N 2 1 264.417 2.286 20 0 CEADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cnn(C)c1 ZINC000414199491 394728396 /nfs/dbraw/zinc/72/83/96/394728396.db2.gz XGXRIIVCJFPTPL-ZFWWWQNUSA-N 2 1 264.417 2.193 20 0 CEADMP COc1ccc2c(c1)OCC[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000414760168 394750764 /nfs/dbraw/zinc/75/07/64/394750764.db2.gz GMIVBPWLTVFXKT-KBPBESRZSA-N 2 1 290.407 2.278 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)c2c[nH+]ccc2N)C1 ZINC000422742764 394753597 /nfs/dbraw/zinc/75/35/97/394753597.db2.gz QIOMYJDGZZWYAR-KGLIPLIRSA-N 2 1 276.428 2.265 20 0 CEADMP COc1ccc(CCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422746049 394755526 /nfs/dbraw/zinc/75/55/26/394755526.db2.gz YVLYIDUHAPBNDG-CJNGLKHVSA-N 2 1 262.397 2.215 20 0 CEADMP Cc1ccccc1OCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422746794 394756356 /nfs/dbraw/zinc/75/63/56/394756356.db2.gz XLYPBUFGTKDZJH-CABCVRRESA-N 2 1 262.397 2.494 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000422747444 394756665 /nfs/dbraw/zinc/75/66/65/394756665.db2.gz YRKFENGXVAVTKH-YJBOKZPZSA-N 2 1 289.467 2.266 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422747615 394756786 /nfs/dbraw/zinc/75/67/86/394756786.db2.gz ZBWPVFHYYKHDNH-ARFHVFGLSA-N 2 1 267.461 2.358 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422838827 394822369 /nfs/dbraw/zinc/82/23/69/394822369.db2.gz YGHIXRROMOVBCU-CABCVRRESA-N 2 1 286.423 2.341 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414830258 394757997 /nfs/dbraw/zinc/75/79/97/394757997.db2.gz AUFHMBPLDNOWNX-OAHLLOKOSA-N 2 1 272.396 2.335 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(N(C)C)CCCCC1 ZINC000422751666 394759766 /nfs/dbraw/zinc/75/97/66/394759766.db2.gz GJCWKJMALUMGED-HUUCEWRRSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422754727 394761064 /nfs/dbraw/zinc/76/10/64/394761064.db2.gz ASEBQNUBBCGECB-FHERZECASA-N 3 1 267.461 2.358 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]2)C1 ZINC000414844621 394767087 /nfs/dbraw/zinc/76/70/87/394767087.db2.gz LAFLQDMKENVXDQ-PVAVHDDUSA-N 2 1 273.424 2.164 20 0 CEADMP CCc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000414848286 394769041 /nfs/dbraw/zinc/76/90/41/394769041.db2.gz GIJLEQJBUVQRFR-WDEREUQCSA-N 2 1 253.415 2.183 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000414953210 394823163 /nfs/dbraw/zinc/82/31/63/394823163.db2.gz JHVKFDGJEICAQX-CMPLNLGQSA-N 2 1 290.436 2.361 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000422840993 394823280 /nfs/dbraw/zinc/82/32/80/394823280.db2.gz UZHXNLZXCHMTQN-GOEBONIOSA-N 3 1 267.461 2.229 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C12CCC2 ZINC000422775894 394775723 /nfs/dbraw/zinc/77/57/23/394775723.db2.gz BRYDIFGVCHPMQH-NILFDRSVSA-N 2 1 275.396 2.492 20 0 CEADMP CN(C)c1ncc(C[NH2+]CC2([NH3+])CCCCCC2)s1 ZINC000414860692 394776107 /nfs/dbraw/zinc/77/61/07/394776107.db2.gz QEUNNCQOSRPRQY-UHFFFAOYSA-N 2 1 282.457 2.350 20 0 CEADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422778551 394777757 /nfs/dbraw/zinc/77/77/57/394777757.db2.gz DUMOARGJAYWPOZ-IRXDYDNUSA-N 3 1 275.440 2.498 20 0 CEADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422778548 394777818 /nfs/dbraw/zinc/77/78/18/394777818.db2.gz DUMOARGJAYWPOZ-DLBZAZTESA-N 3 1 275.440 2.498 20 0 CEADMP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000422779338 394778587 /nfs/dbraw/zinc/77/85/87/394778587.db2.gz IGNSNNCPRGDHSC-IKGGRYGDSA-N 2 1 275.440 2.315 20 0 CEADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414875059 394783287 /nfs/dbraw/zinc/78/32/87/394783287.db2.gz ZQGJXXCATSJZKS-JSGCOSHPSA-N 2 1 276.380 2.078 20 0 CEADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CC2CC2)cc1 ZINC000414877994 394783905 /nfs/dbraw/zinc/78/39/05/394783905.db2.gz GSKLORZOBBNROV-HOTGVXAUSA-N 2 1 260.381 2.140 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CCc2ccccc2)[C@H](C)C1 ZINC000273208932 394785500 /nfs/dbraw/zinc/78/55/00/394785500.db2.gz JZKUAQJRFLCLNT-NXHRZFHOSA-N 2 1 290.451 2.300 20 0 CEADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H]2C[C@H]2C)cc1 ZINC000414886906 394789446 /nfs/dbraw/zinc/78/94/46/394789446.db2.gz QCBCOTVPKCBCQP-QCPWZWHMSA-N 2 1 274.408 2.386 20 0 CEADMP CC[C@H](N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422791821 394789540 /nfs/dbraw/zinc/78/95/40/394789540.db2.gz DGRXTXROGBKEJA-IKGGRYGDSA-N 2 1 279.472 2.371 20 0 CEADMP CC[C@H](C(=O)N1CC[NH2+]Cc2ccccc21)[NH+](CC)CC ZINC000274053520 394790836 /nfs/dbraw/zinc/79/08/36/394790836.db2.gz LRZKTFWPFDCRTO-OAHLLOKOSA-N 2 1 289.423 2.243 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422794164 394791671 /nfs/dbraw/zinc/79/16/71/394791671.db2.gz YIIYBHQATIDRBN-SJORKVTESA-N 3 1 273.424 2.252 20 0 CEADMP C[C@@]1(C[NH2+]Cc2cccc3c2OCCCO3)CCC[NH2+]C1 ZINC000414899013 394794737 /nfs/dbraw/zinc/79/47/37/394794737.db2.gz GOCZIQOJRVMIKP-QGZVFWFLSA-N 2 1 290.407 2.327 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422797979 394794758 /nfs/dbraw/zinc/79/47/58/394794758.db2.gz PHBQWZITGPMOJK-HOCLYGCPSA-N 3 1 267.461 2.358 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422797979 394794761 /nfs/dbraw/zinc/79/47/61/394794761.db2.gz PHBQWZITGPMOJK-HOCLYGCPSA-N 3 1 267.461 2.358 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422798580 394795076 /nfs/dbraw/zinc/79/50/76/394795076.db2.gz RVXRNWGNFRIPJT-USXIJHARSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000422810439 394802700 /nfs/dbraw/zinc/80/27/00/394802700.db2.gz UDMOUBFMUGXDMG-GOEBONIOSA-N 2 1 267.461 2.229 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000414925920 394805917 /nfs/dbraw/zinc/80/59/17/394805917.db2.gz KKMDEUNLDMAEOU-VNHYZAJKSA-N 2 1 292.423 2.222 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000414947815 394817612 /nfs/dbraw/zinc/81/76/12/394817612.db2.gz XAWHAEOZFCLJLO-LMSBXDPUSA-N 2 1 287.451 2.410 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000414947815 394817613 /nfs/dbraw/zinc/81/76/13/394817613.db2.gz XAWHAEOZFCLJLO-LMSBXDPUSA-N 2 1 287.451 2.410 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2OCCCO3)CC[NH2+]1 ZINC000414947426 394817638 /nfs/dbraw/zinc/81/76/38/394817638.db2.gz KVADUEWCLCCCPU-JSGCOSHPSA-N 2 1 276.380 2.078 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000422837629 394820911 /nfs/dbraw/zinc/82/09/11/394820911.db2.gz MOTXMRNAYVANJE-QAETUUGQSA-N 2 1 281.488 2.475 20 0 CEADMP COC[C@]1(C[NH2+][C@@H](C)Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000414952817 394821662 /nfs/dbraw/zinc/82/16/62/394821662.db2.gz IPOKVRFABVILCE-XJKSGUPXSA-N 2 1 280.387 2.115 20 0 CEADMP FC(F)(F)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415047236 394862780 /nfs/dbraw/zinc/86/27/80/394862780.db2.gz VUXBAHGZMAAOBT-ZDUSSCGKSA-N 2 1 288.313 2.174 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415051913 394864684 /nfs/dbraw/zinc/86/46/84/394864684.db2.gz JXOYAGJWNWWUKJ-CVEARBPZSA-N 2 1 263.429 2.430 20 0 CEADMP C[N@@H+](Cc1ccc(F)c(-c2cccs2)c1)C[C@H](O)C[NH3+] ZINC000415062628 394869431 /nfs/dbraw/zinc/86/94/31/394869431.db2.gz YXEFFAFCQKZXSK-GFCCVEGCSA-N 2 1 294.395 2.306 20 0 CEADMP C[N@H+](Cc1ccc(F)c(-c2cccs2)c1)C[C@H](O)C[NH3+] ZINC000415062628 394869436 /nfs/dbraw/zinc/86/94/36/394869436.db2.gz YXEFFAFCQKZXSK-GFCCVEGCSA-N 2 1 294.395 2.306 20 0 CEADMP COc1ccccc1OCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129679567 394871625 /nfs/dbraw/zinc/87/16/25/394871625.db2.gz WBDRJOLGSQTGOQ-UONOGXRCSA-N 2 1 278.396 2.146 20 0 CEADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc(OC)c1O ZINC000415069351 394873100 /nfs/dbraw/zinc/87/31/00/394873100.db2.gz SFMUAXCJJKHKAP-CYBMUJFWSA-N 2 1 294.395 2.017 20 0 CEADMP CC[C@@H]([NH2+]C[C@@](C)(CO)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423080533 394886030 /nfs/dbraw/zinc/88/60/30/394886030.db2.gz SRUSLZUBRVGLHR-SQNIBIBYSA-N 2 1 290.451 2.348 20 0 CEADMP COc1cc2c(c(C[NH2+]CCC[NH2+]C3CC3)c1)O[C@@H](C)C2 ZINC000415070263 394874434 /nfs/dbraw/zinc/87/44/34/394874434.db2.gz QHXMMXKZXVJHQE-LBPRGKRZSA-N 2 1 290.407 2.250 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)n1 ZINC000415070395 394874471 /nfs/dbraw/zinc/87/44/71/394874471.db2.gz UWOIISDWOASSAS-SWLSCSKDSA-N 2 1 277.412 2.128 20 0 CEADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC[C@H]1CCC[NH+]1C ZINC000336803368 394875036 /nfs/dbraw/zinc/87/50/36/394875036.db2.gz YENGEGDTGIGSHO-OAGGEKHMSA-N 2 1 265.445 2.029 20 0 CEADMP C[C@@H]1C[NH+]2CCCC[C@H]2CN1CC[C@H]1CCC[N@@H+]1C ZINC000336803368 394875037 /nfs/dbraw/zinc/87/50/37/394875037.db2.gz YENGEGDTGIGSHO-OAGGEKHMSA-N 2 1 265.445 2.029 20 0 CEADMP C[C@@H]1C[NH+]2CCCC[C@H]2CN1CC[C@H]1CCC[N@H+]1C ZINC000336803368 394875040 /nfs/dbraw/zinc/87/50/40/394875040.db2.gz YENGEGDTGIGSHO-OAGGEKHMSA-N 2 1 265.445 2.029 20 0 CEADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415073895 394875828 /nfs/dbraw/zinc/87/58/28/394875828.db2.gz ZCRNTSIEBGZSJZ-PBHICJAKSA-N 2 1 292.467 2.414 20 0 CEADMP COCCOc1ccccc1C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415074385 394876061 /nfs/dbraw/zinc/87/60/61/394876061.db2.gz CLJKZOJBTBRAFZ-HOCLYGCPSA-N 2 1 292.423 2.332 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1OC ZINC000415077520 394877997 /nfs/dbraw/zinc/87/79/97/394877997.db2.gz UCDCMDDEUFGGDM-ZFWWWQNUSA-N 2 1 292.423 2.367 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1OC ZINC000415077518 394878098 /nfs/dbraw/zinc/87/80/98/394878098.db2.gz UCDCMDDEUFGGDM-UKRRQHHQSA-N 2 1 292.423 2.367 20 0 CEADMP CC[C@H]([NH2+]CCc1cccc(OC)n1)[C@H]1CCCC[NH2+]1 ZINC000423010766 394879928 /nfs/dbraw/zinc/87/99/28/394879928.db2.gz YEPXAZHAZPUUFF-LSDHHAIUSA-N 2 1 277.412 2.143 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422852482 394829500 /nfs/dbraw/zinc/82/95/00/394829500.db2.gz AVPWCLLKMWGEGU-ILXRZTDVSA-N 3 1 255.450 2.214 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000422852482 394829501 /nfs/dbraw/zinc/82/95/01/394829501.db2.gz AVPWCLLKMWGEGU-ILXRZTDVSA-N 3 1 255.450 2.214 20 0 CEADMP CCN(CC)c1ncc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000414968916 394830487 /nfs/dbraw/zinc/83/04/87/394830487.db2.gz YRLKRACLQKQSMB-WCQYABFASA-N 2 1 282.457 2.077 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422855863 394831620 /nfs/dbraw/zinc/83/16/20/394831620.db2.gz FMSIRXXFWUVDFM-VQHPVUNQSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@@H]1CCCN(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422855863 394831625 /nfs/dbraw/zinc/83/16/25/394831625.db2.gz FMSIRXXFWUVDFM-VQHPVUNQSA-N 2 1 279.472 2.229 20 0 CEADMP C[NH+](C)[C@@H]1CCCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000278680801 394832804 /nfs/dbraw/zinc/83/28/04/394832804.db2.gz ROFBKFIMTMLWFD-QGZVFWFLSA-N 2 1 275.440 2.144 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000361657427 394834297 /nfs/dbraw/zinc/83/42/97/394834297.db2.gz CKANBFOHOSRNQV-KBXIAJHMSA-N 2 1 276.428 2.079 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414979404 394834672 /nfs/dbraw/zinc/83/46/72/394834672.db2.gz NYGFFOYMXYEUKI-GOEBONIOSA-N 2 1 278.396 2.071 20 0 CEADMP C[C@@H](CCC1CCCCC1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414980844 394835437 /nfs/dbraw/zinc/83/54/37/394835437.db2.gz WZNGFMYZBNMACL-GOEBONIOSA-N 2 1 267.461 2.229 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000414982696 394835596 /nfs/dbraw/zinc/83/55/96/394835596.db2.gz SDQROULBNHFVCB-SNVBAGLBSA-N 2 1 280.322 2.182 20 0 CEADMP C[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@H+]1CCCC[C@@H]1C ZINC000422862330 394836280 /nfs/dbraw/zinc/83/62/80/394836280.db2.gz NNTNPIIBIHTXRV-XUWVNRHRSA-N 2 1 267.461 2.370 20 0 CEADMP CC[C@@H]([NH3+])CNCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414986081 394837747 /nfs/dbraw/zinc/83/77/47/394837747.db2.gz WZEKDROVYWOLIY-MRXNPFEDSA-N 2 1 277.456 2.472 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](O)c1ccc(F)cc1 ZINC000124353741 394837903 /nfs/dbraw/zinc/83/79/03/394837903.db2.gz IKPYWAYEWRAJCP-KOZAUXTDSA-N 2 1 280.387 2.320 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](O)c1ccc(F)cc1 ZINC000124353741 394837904 /nfs/dbraw/zinc/83/79/04/394837904.db2.gz IKPYWAYEWRAJCP-KOZAUXTDSA-N 2 1 280.387 2.320 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422870354 394841202 /nfs/dbraw/zinc/84/12/02/394841202.db2.gz YPMWEBMSQUJJFM-CVEARBPZSA-N 2 1 275.396 2.395 20 0 CEADMP C[C@H](N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422873250 394842586 /nfs/dbraw/zinc/84/25/86/394842586.db2.gz KRFDVEOTPKCVGI-LAQRGFTBSA-N 2 1 287.451 2.380 20 0 CEADMP CN(CC[N@@H+](C)Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000126373074 394846259 /nfs/dbraw/zinc/84/62/59/394846259.db2.gz WDHKDYXLJXXOGI-UHFFFAOYSA-N 2 1 293.430 2.284 20 0 CEADMP C[C@@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422884597 394848902 /nfs/dbraw/zinc/84/89/02/394848902.db2.gz SDAPRJAQLOYHNZ-YYIAUSFCSA-N 2 1 281.488 2.475 20 0 CEADMP CCCOc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1OC ZINC000415013404 394849529 /nfs/dbraw/zinc/84/95/29/394849529.db2.gz UYNDQAQNBZKXQJ-NWDGAFQWSA-N 2 1 266.385 2.309 20 0 CEADMP COc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1OC(F)F ZINC000415016109 394850376 /nfs/dbraw/zinc/85/03/76/394850376.db2.gz ZNTXHGKUGDZZIM-IUCAKERBSA-N 2 1 274.311 2.122 20 0 CEADMP COc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1OC(F)F ZINC000415016108 394850432 /nfs/dbraw/zinc/85/04/32/394850432.db2.gz ZNTXHGKUGDZZIM-DTWKUNHWSA-N 2 1 274.311 2.122 20 0 CEADMP COCCC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCC1 ZINC000422888365 394851093 /nfs/dbraw/zinc/85/10/93/394851093.db2.gz MYTRXWHILBOMNS-LBPRGKRZSA-N 2 1 263.385 2.352 20 0 CEADMP CN(C)c1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415041567 394860291 /nfs/dbraw/zinc/86/02/91/394860291.db2.gz LMCTTXRCYSOJAW-TZMCWYRMSA-N 2 1 294.468 2.173 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415041567 394860295 /nfs/dbraw/zinc/86/02/95/394860295.db2.gz LMCTTXRCYSOJAW-TZMCWYRMSA-N 2 1 294.468 2.173 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422913056 394860360 /nfs/dbraw/zinc/86/03/60/394860360.db2.gz XOHUPDYHJYBQMZ-CGTJXYLNSA-N 2 1 289.467 2.409 20 0 CEADMP CN(C)Cc1cc(C[NH2+]C2CCC([NH3+])CC2)ccc1F ZINC000415098973 394888870 /nfs/dbraw/zinc/88/88/70/394888870.db2.gz GHBKEVVGMAXIIU-UHFFFAOYSA-N 2 1 279.403 2.247 20 0 CEADMP C[C@H](C[NH3+])CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423299885 394890012 /nfs/dbraw/zinc/89/00/12/394890012.db2.gz CNIBREBLYVAWNM-BMFZPTHFSA-N 2 1 261.413 2.006 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000423299885 394890017 /nfs/dbraw/zinc/89/00/17/394890017.db2.gz CNIBREBLYVAWNM-BMFZPTHFSA-N 2 1 261.413 2.006 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000415102009 394890160 /nfs/dbraw/zinc/89/01/60/394890160.db2.gz CAQMOONRCHMZBD-DZGCQCFKSA-N 2 1 284.407 2.493 20 0 CEADMP c1cn(CCC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000415115579 394894288 /nfs/dbraw/zinc/89/42/88/394894288.db2.gz UGCJIOMUXJKTKW-DLBZAZTESA-N 2 1 284.407 2.356 20 0 CEADMP Fc1cncc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423355298 394899454 /nfs/dbraw/zinc/89/94/54/394899454.db2.gz HWHUYRBOYNGUDL-HUUCEWRRSA-N 2 1 263.360 2.404 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423359522 394900103 /nfs/dbraw/zinc/90/01/03/394900103.db2.gz KTFQTITVKYMBAM-QLFBSQMISA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423356608 394900249 /nfs/dbraw/zinc/90/02/49/394900249.db2.gz GYIKJKXNHUPXQW-LZWOXQAQSA-N 2 1 261.413 2.380 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+](CC(=O)OC(C)(C)C)C2)CC1 ZINC000366888329 394953983 /nfs/dbraw/zinc/95/39/83/394953983.db2.gz UZANKGWMXAUZBX-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)OC(C)(C)C)C2)CC1 ZINC000366888329 394953984 /nfs/dbraw/zinc/95/39/84/394953984.db2.gz UZANKGWMXAUZBX-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)CC[NH2+]1 ZINC000423371783 394904475 /nfs/dbraw/zinc/90/44/75/394904475.db2.gz FTBATJBCQJUQQY-AXAPSJFSSA-N 2 1 260.381 2.500 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C12CCCC2 ZINC000423372201 394904937 /nfs/dbraw/zinc/90/49/37/394904937.db2.gz IAWBNBVXXZTERS-ZQDZILKHSA-N 2 1 266.429 2.454 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423389682 394910346 /nfs/dbraw/zinc/91/03/46/394910346.db2.gz JKSAEKCHTXIIAK-HUBLWGQQSA-N 2 1 266.360 2.230 20 0 CEADMP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000423387299 394910355 /nfs/dbraw/zinc/91/03/55/394910355.db2.gz RWVRSKKPLOCYRW-GVXVVHGQSA-N 2 1 297.468 2.432 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)CCCO2 ZINC000423389323 394910580 /nfs/dbraw/zinc/91/05/80/394910580.db2.gz JIKDQPDTWACDEI-APHBMKBZSA-N 2 1 290.407 2.497 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cn1 ZINC000423391845 394911345 /nfs/dbraw/zinc/91/13/45/394911345.db2.gz LENHZQMTLXECFV-DYEKYZERSA-N 2 1 250.390 2.113 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000423409951 394916498 /nfs/dbraw/zinc/91/64/98/394916498.db2.gz RDNSXNPIQBMPJH-AWEZNQCLSA-N 2 1 295.471 2.132 20 0 CEADMP C([NH2+][C@H]1CCC12CCCC2)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365059887 394918594 /nfs/dbraw/zinc/91/85/94/394918594.db2.gz BUNWMTRCQNYNQZ-ILXRZTDVSA-N 2 1 264.413 2.162 20 0 CEADMP C([NH2+][C@H]1CCC12CCCC2)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365059887 394918597 /nfs/dbraw/zinc/91/85/97/394918597.db2.gz BUNWMTRCQNYNQZ-ILXRZTDVSA-N 2 1 264.413 2.162 20 0 CEADMP COC[C@]1(C[NH2+][C@H]2C[C@@H](OCC(C)C)C2(C)C)CCC[NH2+]1 ZINC000423423639 394919206 /nfs/dbraw/zinc/91/92/06/394919206.db2.gz ZZHRDABHWWAPIM-ZMSDIMECSA-N 2 1 298.471 2.184 20 0 CEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)c(F)c1 ZINC000423428510 394919763 /nfs/dbraw/zinc/91/97/63/394919763.db2.gz JFPYXCVDYQVMLT-UFAOYGAJSA-N 2 1 299.187 2.457 20 0 CEADMP CCCCOCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000365236818 394923632 /nfs/dbraw/zinc/92/36/32/394923632.db2.gz TUPUZFBMWSMZLV-MQVJKMGUSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423486080 394931918 /nfs/dbraw/zinc/93/19/18/394931918.db2.gz AZMNDHIHDUJFCI-HEHGZKQESA-N 2 1 295.858 2.325 20 0 CEADMP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CCC1 ZINC000423501728 394937357 /nfs/dbraw/zinc/93/73/57/394937357.db2.gz BUCPLCQKKTYXOE-OFLPRAFFSA-N 2 1 279.472 2.371 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1(C)C ZINC000423503739 394938548 /nfs/dbraw/zinc/93/85/48/394938548.db2.gz NDCOYHRVMZLTNP-MGPQQGTHSA-N 2 1 254.418 2.297 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423506312 394939201 /nfs/dbraw/zinc/93/92/01/394939201.db2.gz IDRGLSQXOMTHKA-CBBWQLFWSA-N 2 1 254.418 2.108 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc(C)c1F ZINC000423509178 394941236 /nfs/dbraw/zinc/94/12/36/394941236.db2.gz IVEXKTSFIPPNOF-HIFRSBDPSA-N 2 1 280.387 2.472 20 0 CEADMP CCC[N@H+](C)[C@H](CNC(N)=[NH2+])c1ccc(Cl)cc1 ZINC000284865177 394949617 /nfs/dbraw/zinc/94/96/17/394949617.db2.gz DUFOVEPRXNTDLA-GFCCVEGCSA-N 2 1 268.792 2.206 20 0 CEADMP CCC[N@@H+](C)[C@H](CNC(N)=[NH2+])c1ccc(Cl)cc1 ZINC000284865177 394949620 /nfs/dbraw/zinc/94/96/20/394949620.db2.gz DUFOVEPRXNTDLA-GFCCVEGCSA-N 2 1 268.792 2.206 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000423557715 394951814 /nfs/dbraw/zinc/95/18/14/394951814.db2.gz NOKJJUDGDVAVMZ-NXHRZFHOSA-N 2 1 287.451 2.381 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC2)C[C@H]1c1ccccc1 ZINC000340237550 394982001 /nfs/dbraw/zinc/98/20/01/394982001.db2.gz OILBRHYKAVPGIL-CVEARBPZSA-N 2 1 274.408 2.327 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC2)C[C@H]1c1ccccc1 ZINC000340237550 394982005 /nfs/dbraw/zinc/98/20/05/394982005.db2.gz OILBRHYKAVPGIL-CVEARBPZSA-N 2 1 274.408 2.327 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CCCCO)C[C@@H]1c1ccccc1 ZINC000340371407 394984888 /nfs/dbraw/zinc/98/48/88/394984888.db2.gz LGCOVHMTKSTYHI-HZPDHXFCSA-N 2 1 262.397 2.184 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCCO)C[C@@H]1c1ccccc1 ZINC000340371407 394984890 /nfs/dbraw/zinc/98/48/90/394984890.db2.gz LGCOVHMTKSTYHI-HZPDHXFCSA-N 2 1 262.397 2.184 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415959716 394987532 /nfs/dbraw/zinc/98/75/32/394987532.db2.gz PLDALQDODRMFFE-ZDUSSCGKSA-N 2 1 292.427 2.387 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371445457 395028520 /nfs/dbraw/zinc/02/85/20/395028520.db2.gz HXBGTEAHVJSTNP-UONOGXRCSA-N 2 1 276.428 2.424 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371445457 395028525 /nfs/dbraw/zinc/02/85/25/395028525.db2.gz HXBGTEAHVJSTNP-UONOGXRCSA-N 2 1 276.428 2.424 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOC(C)(C)C)C2)C1 ZINC000339429216 394959912 /nfs/dbraw/zinc/95/99/12/394959912.db2.gz QGURRRUDJJZLAS-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCOC(C)(C)C)C2)C1 ZINC000339429216 394959916 /nfs/dbraw/zinc/95/99/16/394959916.db2.gz QGURRRUDJJZLAS-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOC(C)(C)C)C2)C1 ZINC000339429216 394959919 /nfs/dbraw/zinc/95/99/19/394959919.db2.gz QGURRRUDJJZLAS-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C1CC1[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000155106008 395025898 /nfs/dbraw/zinc/02/58/98/395025898.db2.gz SGEWYIIYGVKNSN-FPCVCCKLSA-N 2 1 264.413 2.160 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C2CCSCC2)[C@@H]2CCC[C@@H]21 ZINC000367625165 394966804 /nfs/dbraw/zinc/96/68/04/394966804.db2.gz XBYVZRVPTNNPSA-IHRRRGAJSA-N 2 1 254.443 2.344 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](O)c1ccccc1 ZINC000290315295 395099890 /nfs/dbraw/zinc/09/98/90/395099890.db2.gz NYYVXOWQSYBJPT-PQEBFOHHSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000373520461 395062805 /nfs/dbraw/zinc/06/28/05/395062805.db2.gz IDMPHDKALYGTII-AXRJEEMOSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21)C[NH+](C)C ZINC000425944578 395071317 /nfs/dbraw/zinc/07/13/17/395071317.db2.gz XTLVXKGOCIBWKT-SMDDNHRTSA-N 2 1 293.386 2.386 20 0 CEADMP C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@H+]1C ZINC000426781961 395079686 /nfs/dbraw/zinc/07/96/86/395079686.db2.gz FBOROGNWCPPNGC-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374419363 395081830 /nfs/dbraw/zinc/08/18/30/395081830.db2.gz HBKGWGPFAXBZRR-QLFBSQMISA-N 2 1 254.418 2.216 20 0 CEADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426936105 395086256 /nfs/dbraw/zinc/08/62/56/395086256.db2.gz XWJJWLHBYUDDEX-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CCOC1CC2(C1)CC[N@@H+](CCC[NH+]1CCCC1)C2 ZINC000375750285 395097389 /nfs/dbraw/zinc/09/73/89/395097389.db2.gz KSXKFDTVDQTMKD-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(OC)nc2)CC1 ZINC000158080934 395036611 /nfs/dbraw/zinc/03/66/11/395036611.db2.gz XXZXVBAXFJRVFU-UHFFFAOYSA-N 2 1 277.412 2.444 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000158065616 395036896 /nfs/dbraw/zinc/03/68/96/395036896.db2.gz BSJDVCFTNLRPFF-HNNXBMFYSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000343632794 395041985 /nfs/dbraw/zinc/04/19/85/395041985.db2.gz CUSBDNZZZRLOGZ-WCVJEAGWSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000343632794 395041988 /nfs/dbraw/zinc/04/19/88/395041988.db2.gz CUSBDNZZZRLOGZ-WCVJEAGWSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000343632794 395041991 /nfs/dbraw/zinc/04/19/91/395041991.db2.gz CUSBDNZZZRLOGZ-WCVJEAGWSA-N 2 1 267.461 2.037 20 0 CEADMP C(C[NH+]1CCC12CCC2)OCC[N@H+]1CCC12CCC2 ZINC000343704981 395043687 /nfs/dbraw/zinc/04/36/87/395043687.db2.gz HRAJEMLTMKMILU-UHFFFAOYSA-N 2 1 264.413 2.260 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000347788918 395128692 /nfs/dbraw/zinc/12/86/92/395128692.db2.gz RQQCMGAEQHTPMH-ILXRZTDVSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000347788918 395128694 /nfs/dbraw/zinc/12/86/94/395128694.db2.gz RQQCMGAEQHTPMH-ILXRZTDVSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000347788918 395128699 /nfs/dbraw/zinc/12/86/99/395128699.db2.gz RQQCMGAEQHTPMH-ILXRZTDVSA-N 2 1 268.445 2.200 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346821597 395108699 /nfs/dbraw/zinc/10/86/99/395108699.db2.gz IWKUHPJTWXXDFD-ARFHVFGLSA-N 2 1 295.471 2.003 20 0 CEADMP COCc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)o1 ZINC000290605215 395110218 /nfs/dbraw/zinc/11/02/18/395110218.db2.gz WETCROAMIVTKFV-SWLSCSKDSA-N 2 1 266.385 2.198 20 0 CEADMP COCc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)o1 ZINC000290605215 395110223 /nfs/dbraw/zinc/11/02/23/395110223.db2.gz WETCROAMIVTKFV-SWLSCSKDSA-N 2 1 266.385 2.198 20 0 CEADMP CCC[N@@H+](C)CC(=O)Nc1ccccc1C[NH2+]CC ZINC000428305886 395145247 /nfs/dbraw/zinc/14/52/47/395145247.db2.gz MSGQHYDYZGUGAZ-UHFFFAOYSA-N 2 1 263.385 2.076 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@@H]2CCSC2)C1 ZINC000377836068 395145684 /nfs/dbraw/zinc/14/56/84/395145684.db2.gz YPEMGJSYVYBWCD-MELADBBJSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@@H]2CCSC2)C1 ZINC000377836068 395145687 /nfs/dbraw/zinc/14/56/87/395145687.db2.gz YPEMGJSYVYBWCD-MELADBBJSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@@H]2CCSC2)C1 ZINC000377836068 395145690 /nfs/dbraw/zinc/14/56/90/395145690.db2.gz YPEMGJSYVYBWCD-MELADBBJSA-N 2 1 254.443 2.156 20 0 CEADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)n(C)n1 ZINC000417870811 395154185 /nfs/dbraw/zinc/15/41/85/395154185.db2.gz LYBZKAMQOFVHLV-OAHLLOKOSA-N 2 1 278.444 2.473 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@H](N2CCCC2)C1 ZINC000382676953 395182243 /nfs/dbraw/zinc/18/22/43/395182243.db2.gz ZCBNLESHNBTMOP-KRWDZBQOSA-N 2 1 279.472 2.326 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H](N2CCCC2)C1 ZINC000382676953 395182246 /nfs/dbraw/zinc/18/22/46/395182246.db2.gz ZCBNLESHNBTMOP-KRWDZBQOSA-N 2 1 279.472 2.326 20 0 CEADMP C[C@H]1CCCC[C@H]1OCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000430594621 395164789 /nfs/dbraw/zinc/16/47/89/395164789.db2.gz RXYWALPXKAZGQC-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[C@@]1(C)CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351511362 395226307 /nfs/dbraw/zinc/22/63/07/395226307.db2.gz BXWBOZAGNWQKHB-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@@]1(C)CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351511362 395226312 /nfs/dbraw/zinc/22/63/12/395226312.db2.gz BXWBOZAGNWQKHB-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@@]1(C)CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351511362 395226319 /nfs/dbraw/zinc/22/63/19/395226319.db2.gz BXWBOZAGNWQKHB-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@@]1(C)CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351511362 395226323 /nfs/dbraw/zinc/22/63/23/395226323.db2.gz BXWBOZAGNWQKHB-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000352167197 395246268 /nfs/dbraw/zinc/24/62/68/395246268.db2.gz AUAQYDLSYPXQEA-CABCVRRESA-N 2 1 283.460 2.144 20 0 CEADMP Cc1cccc(N2CCC([NH2+]CC[C@H]3CCOC3)CC2)[nH+]1 ZINC000438190477 395210068 /nfs/dbraw/zinc/21/00/68/395210068.db2.gz NAYOMNILWOZGKL-HNNXBMFYSA-N 2 1 289.423 2.375 20 0 CEADMP CC1(C)CC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000433239215 395217919 /nfs/dbraw/zinc/21/79/19/395217919.db2.gz FIVDNROJXQYDIU-GOSISDBHSA-N 2 1 288.435 2.402 20 0 CEADMP CC1(C)CC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000433239215 395217926 /nfs/dbraw/zinc/21/79/26/395217926.db2.gz FIVDNROJXQYDIU-GOSISDBHSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400507046 395252948 /nfs/dbraw/zinc/25/29/48/395252948.db2.gz IFFKYGFMHOLTSH-JQHSSLGASA-N 2 1 287.451 2.381 20 0 CEADMP C[NH2+]CC1CC[NH+]([C@@H](C(=O)OC)c2ccccc2C)CC1 ZINC000420285640 395294367 /nfs/dbraw/zinc/29/43/67/395294367.db2.gz DNRJOSVXEXHZJY-MRXNPFEDSA-N 2 1 290.407 2.141 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H](CCO)c1ccccc1 ZINC000420297942 395304243 /nfs/dbraw/zinc/30/42/43/395304243.db2.gz GRODNULJABUDPI-RDJZCZTQSA-N 2 1 276.424 2.432 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3ccsc3)C[C@@H]12 ZINC000420300598 395305421 /nfs/dbraw/zinc/30/54/21/395305421.db2.gz CRPRCIGBAYTJLD-MGPQQGTHSA-N 2 1 250.411 2.350 20 0 CEADMP [NH3+]CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420305462 395309607 /nfs/dbraw/zinc/30/96/07/395309607.db2.gz GJQNWBYKGMLYQN-MRXNPFEDSA-N 3 1 275.440 2.227 20 0 CEADMP COC(=O)c1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c(C)s1 ZINC000420306894 395311796 /nfs/dbraw/zinc/31/17/96/395311796.db2.gz HYKVQSONCAVZDH-CYBMUJFWSA-N 2 1 296.436 2.417 20 0 CEADMP COC(=O)c1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c(C)s1 ZINC000420306894 395311798 /nfs/dbraw/zinc/31/17/98/395311798.db2.gz HYKVQSONCAVZDH-CYBMUJFWSA-N 2 1 296.436 2.417 20 0 CEADMP Cc1cnn([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000420308487 395313044 /nfs/dbraw/zinc/31/30/44/395313044.db2.gz CUCFYBDESWQUMW-HOTGVXAUSA-N 2 1 276.428 2.218 20 0 CEADMP C[C@H](O)C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000420312821 395316542 /nfs/dbraw/zinc/31/65/42/395316542.db2.gz XIXPOOMHKBDUKI-KBPBESRZSA-N 2 1 254.418 2.002 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420315173 395318315 /nfs/dbraw/zinc/31/83/15/395318315.db2.gz ZWRUCMCMHNVYCF-CVEARBPZSA-N 2 1 295.471 2.004 20 0 CEADMP c1ccc(N[C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420315601 395319369 /nfs/dbraw/zinc/31/93/69/395319369.db2.gz KZTBXANJHHEUEY-GDBMZVCRSA-N 2 1 259.397 2.172 20 0 CEADMP Cc1ccc([C@@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420316075 395320217 /nfs/dbraw/zinc/32/02/17/395320217.db2.gz MIPPUTQJTYJAMS-KRWDZBQOSA-N 2 1 273.424 2.037 20 0 CEADMP c1csc(N2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000420320848 395323974 /nfs/dbraw/zinc/32/39/74/395323974.db2.gz QIFNVPGMLYHRIX-CQSZACIVSA-N 2 1 294.468 2.045 20 0 CEADMP c1csc([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420320899 395324194 /nfs/dbraw/zinc/32/41/94/395324194.db2.gz QSQIMIGSOYTJNH-QWHCGFSZSA-N 2 1 265.426 2.322 20 0 CEADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420320535 395324214 /nfs/dbraw/zinc/32/42/14/395324214.db2.gz QNMNTEXJNRCSHB-HRCADAONSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1CCCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420369873 395355554 /nfs/dbraw/zinc/35/55/54/395355554.db2.gz JDOXPEVFQZDCLN-PVAVHDDUSA-N 2 1 276.424 2.039 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)C1CCCC1 ZINC000420408517 395374435 /nfs/dbraw/zinc/37/44/35/395374435.db2.gz PICSREBRDVZYOK-GJZGRUSLSA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)C1CCCC1 ZINC000420408517 395374441 /nfs/dbraw/zinc/37/44/41/395374441.db2.gz PICSREBRDVZYOK-GJZGRUSLSA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000192757430 395391487 /nfs/dbraw/zinc/39/14/87/395391487.db2.gz QGKBGQYRDQXOBG-IYBDPMFKSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)OCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329785 395331048 /nfs/dbraw/zinc/33/10/48/395331048.db2.gz OYFSRHJTMMVPKM-HUUCEWRRSA-N 2 1 254.418 2.123 20 0 CEADMP CCCCc1noc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420330482 395331114 /nfs/dbraw/zinc/33/11/14/395331114.db2.gz PVIFYWUZFXNLAM-UONOGXRCSA-N 2 1 292.427 2.234 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331080 395331227 /nfs/dbraw/zinc/33/12/27/395331227.db2.gz QOXULIPIPUUKSW-GJZGRUSLSA-N 2 1 282.428 2.041 20 0 CEADMP CC(C)Cc1noc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420337865 395334138 /nfs/dbraw/zinc/33/41/38/395334138.db2.gz KFIVVSCGPFEHKY-UONOGXRCSA-N 2 1 292.427 2.090 20 0 CEADMP CO[C@H](C)c1nc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000420345895 395338160 /nfs/dbraw/zinc/33/81/60/395338160.db2.gz VXIYUOHKERFNCQ-UPJWGTAASA-N 2 1 295.452 2.282 20 0 CEADMP C[N@@H+](CCCSc1ccccc1Cl)C[C@@H](O)C[NH3+] ZINC000420355054 395343266 /nfs/dbraw/zinc/34/32/66/395343266.db2.gz PLVPHQCIHMVHEI-NSHDSACASA-N 2 1 288.844 2.074 20 0 CEADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420358362 395344819 /nfs/dbraw/zinc/34/48/19/395344819.db2.gz IMQVKMAADJCQON-ILXRZTDVSA-N 2 1 295.471 2.001 20 0 CEADMP c1nn([C@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)c2ccccc12 ZINC000420359303 395346658 /nfs/dbraw/zinc/34/66/58/395346658.db2.gz KGYUTGYGDLPVQB-ZBFHGGJFSA-N 2 1 284.407 2.283 20 0 CEADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCC[NH3+])C3)nc2c1 ZINC000420364045 395349859 /nfs/dbraw/zinc/34/98/59/395349859.db2.gz QLMZYRXNBSLNOH-ZDUSSCGKSA-N 2 1 272.396 2.400 20 0 CEADMP Cc1ccc2nc([C@H]3CCC[N@H+](CCC[NH3+])C3)[nH]c2c1 ZINC000420364045 395349862 /nfs/dbraw/zinc/34/98/62/395349862.db2.gz QLMZYRXNBSLNOH-ZDUSSCGKSA-N 2 1 272.396 2.400 20 0 CEADMP Cc1ccc2nc([C@H]3CCC[N@@H+](CCC[NH3+])C3)[nH]c2c1 ZINC000420364045 395349865 /nfs/dbraw/zinc/34/98/65/395349865.db2.gz QLMZYRXNBSLNOH-ZDUSSCGKSA-N 2 1 272.396 2.400 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000354978497 395351908 /nfs/dbraw/zinc/35/19/08/395351908.db2.gz YHXODLGRVMHMMV-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP C[NH+](C)C1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000193822667 395416648 /nfs/dbraw/zinc/41/66/48/395416648.db2.gz LPNGFEIKCZIPKL-UHFFFAOYSA-N 2 1 293.386 2.180 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000355409527 395439304 /nfs/dbraw/zinc/43/93/04/395439304.db2.gz MTRQSSNJKXLYSG-IYBDPMFKSA-N 2 1 295.471 2.097 20 0 CEADMP COC(=O)[C@H]1CC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC000444622915 395440379 /nfs/dbraw/zinc/44/03/79/395440379.db2.gz IHPQPMMFPFMXOV-OAHLLOKOSA-N 2 1 294.439 2.138 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000448022136 395508063 /nfs/dbraw/zinc/50/80/63/395508063.db2.gz MRSIDWVPLKXVGS-XHSDSOJGSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+]1CCCC(C)(C)[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000448022136 395508065 /nfs/dbraw/zinc/50/80/65/395508065.db2.gz MRSIDWVPLKXVGS-XHSDSOJGSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+]1CCCC(C)(C)[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000448022136 395508066 /nfs/dbraw/zinc/50/80/66/395508066.db2.gz MRSIDWVPLKXVGS-XHSDSOJGSA-N 2 1 279.472 2.323 20 0 CEADMP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000448022136 395508069 /nfs/dbraw/zinc/50/80/69/395508069.db2.gz MRSIDWVPLKXVGS-XHSDSOJGSA-N 2 1 279.472 2.323 20 0 CEADMP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000448022136 395508071 /nfs/dbraw/zinc/50/80/71/395508071.db2.gz MRSIDWVPLKXVGS-XHSDSOJGSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851960 395536140 /nfs/dbraw/zinc/53/61/40/395536140.db2.gz BQCVIHBITBJHSU-QGZVFWFLSA-N 2 1 287.451 2.335 20 0 CEADMP COc1ccc(CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000567889274 395539486 /nfs/dbraw/zinc/53/94/86/395539486.db2.gz HBZQQSRAWZXMHP-QGZVFWFLSA-N 2 1 274.408 2.313 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CC(C)(C)C ZINC000565549705 395476255 /nfs/dbraw/zinc/47/62/55/395476255.db2.gz OUXLPJFJMDQCLF-KBPBESRZSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000565549705 395476257 /nfs/dbraw/zinc/47/62/57/395476257.db2.gz OUXLPJFJMDQCLF-KBPBESRZSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000565549705 395476258 /nfs/dbraw/zinc/47/62/58/395476258.db2.gz OUXLPJFJMDQCLF-KBPBESRZSA-N 2 1 256.434 2.200 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446067653 395481177 /nfs/dbraw/zinc/48/11/77/395481177.db2.gz BIAHRPZSSWBPAV-XQQFMLRXSA-N 2 1 251.374 2.079 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446067653 395481179 /nfs/dbraw/zinc/48/11/79/395481179.db2.gz BIAHRPZSSWBPAV-XQQFMLRXSA-N 2 1 251.374 2.079 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446067652 395481355 /nfs/dbraw/zinc/48/13/55/395481355.db2.gz BIAHRPZSSWBPAV-RWMBFGLXSA-N 2 1 251.374 2.079 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446067652 395481358 /nfs/dbraw/zinc/48/13/58/395481358.db2.gz BIAHRPZSSWBPAV-RWMBFGLXSA-N 2 1 251.374 2.079 20 0 CEADMP C[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000566025526 395496286 /nfs/dbraw/zinc/49/62/86/395496286.db2.gz YYHHKGMKKDDJBO-GJZGRUSLSA-N 2 1 299.422 2.260 20 0 CEADMP C[C@H](NCC[N@H+]1CC[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000566025526 395496288 /nfs/dbraw/zinc/49/62/88/395496288.db2.gz YYHHKGMKKDDJBO-GJZGRUSLSA-N 2 1 299.422 2.260 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)c1sccc1C[NH+](C)C ZINC000446934201 395501861 /nfs/dbraw/zinc/50/18/61/395501861.db2.gz SWGPWNZOIBNNED-UHFFFAOYSA-N 2 1 297.468 2.271 20 0 CEADMP COc1cc2c(cc1C[NH2+]CC[C@H]1CCC[NH2+]1)O[C@H](C)C2 ZINC000573218180 395602973 /nfs/dbraw/zinc/60/29/73/395602973.db2.gz PJRDFELYBQNZSN-IUODEOHRSA-N 2 1 290.407 2.250 20 0 CEADMP CC(C)C[C@]1(C)CCC[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000451292060 395603784 /nfs/dbraw/zinc/60/37/84/395603784.db2.gz SHPTWLGKCMHGKS-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@]1(C)CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000451292060 395603785 /nfs/dbraw/zinc/60/37/85/395603785.db2.gz SHPTWLGKCMHGKS-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@]1(C)CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000451292060 395603786 /nfs/dbraw/zinc/60/37/86/395603786.db2.gz SHPTWLGKCMHGKS-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@]1(C)CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000451292060 395603787 /nfs/dbraw/zinc/60/37/87/395603787.db2.gz SHPTWLGKCMHGKS-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@]1(C)CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000451292060 395603789 /nfs/dbraw/zinc/60/37/89/395603789.db2.gz SHPTWLGKCMHGKS-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP CCc1cc(N(C)[C@@H]2CC[N@H+](C(C)C)C2)nc(C)n1 ZINC000450952732 395581675 /nfs/dbraw/zinc/58/16/75/395581675.db2.gz IWARELACNYFJLU-CQSZACIVSA-N 2 1 262.401 2.266 20 0 CEADMP C[C@@H]1CC[N@@H+](CCCc2cncn2C)CCS1 ZINC000573860233 395621594 /nfs/dbraw/zinc/62/15/94/395621594.db2.gz PQXJZOMUWIFLAB-GFCCVEGCSA-N 2 1 253.415 2.180 20 0 CEADMP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)CCS1 ZINC000573860233 395621596 /nfs/dbraw/zinc/62/15/96/395621596.db2.gz PQXJZOMUWIFLAB-GFCCVEGCSA-N 2 1 253.415 2.180 20 0 CEADMP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)CCS1 ZINC000573860233 395621597 /nfs/dbraw/zinc/62/15/97/395621597.db2.gz PQXJZOMUWIFLAB-GFCCVEGCSA-N 2 1 253.415 2.180 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)oc1C ZINC000574694013 395635392 /nfs/dbraw/zinc/63/53/92/395635392.db2.gz GTVRCVYMMNRJSK-GJZGRUSLSA-N 2 1 293.411 2.010 20 0 CEADMP COCC(C)(C)C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000494016231 395678696 /nfs/dbraw/zinc/67/86/96/395678696.db2.gz HXKCUVZTCJXXIP-UHFFFAOYSA-N 2 1 298.471 2.284 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000647509956 395723990 /nfs/dbraw/zinc/72/39/90/395723990.db2.gz KHKAXTAMIWJWAR-MLGOLLRUSA-N 2 1 255.365 2.404 20 0 CEADMP NC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCCCC1 ZINC000647546648 395732162 /nfs/dbraw/zinc/73/21/62/395732162.db2.gz UECNKOMRNWWRBU-RBSFLKMASA-N 2 1 265.445 2.016 20 0 CEADMP CC1([NH3+])CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000647531034 395727265 /nfs/dbraw/zinc/72/72/65/395727265.db2.gz XQHJEPQHEVTOMS-UHFFFAOYSA-N 2 1 251.399 2.334 20 0 CEADMP CCOc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1OC ZINC000647531712 395727632 /nfs/dbraw/zinc/72/76/32/395727632.db2.gz UUBDXDKNRRIODG-UHFFFAOYSA-N 2 1 278.396 2.407 20 0 CEADMP Fc1cccc(O[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000647538195 395729635 /nfs/dbraw/zinc/72/96/35/395729635.db2.gz IPLYVJDOKMUBSM-XJKSGUPXSA-N 2 1 278.371 2.278 20 0 CEADMP FC(F)n1ccnc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542770 395731154 /nfs/dbraw/zinc/73/11/54/395731154.db2.gz BOZOAULXSVOMRT-OLZOCXBDSA-N 2 1 298.381 2.490 20 0 CEADMP FC(F)n1ccnc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542770 395731155 /nfs/dbraw/zinc/73/11/55/395731155.db2.gz BOZOAULXSVOMRT-OLZOCXBDSA-N 2 1 298.381 2.490 20 0 CEADMP CCn1ccnc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543530 395731314 /nfs/dbraw/zinc/73/13/14/395731314.db2.gz OVOGCBBYUVZXLG-GJZGRUSLSA-N 2 1 276.428 2.115 20 0 CEADMP CC(C)[C@H]1[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC12CC=CC2 ZINC000647614884 395737980 /nfs/dbraw/zinc/73/79/80/395737980.db2.gz PRHZPXLEEKOAPO-HZPDHXFCSA-N 2 1 278.440 2.118 20 0 CEADMP CC(C)[C@H]1[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC12CC=CC2 ZINC000647614884 395737981 /nfs/dbraw/zinc/73/79/81/395737981.db2.gz PRHZPXLEEKOAPO-HZPDHXFCSA-N 2 1 278.440 2.118 20 0 CEADMP CC(C)[C@H]1[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC12CC=CC2 ZINC000647614884 395737983 /nfs/dbraw/zinc/73/79/83/395737983.db2.gz PRHZPXLEEKOAPO-HZPDHXFCSA-N 2 1 278.440 2.118 20 0 CEADMP CC(C)[C@H]1[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC12CC=CC2 ZINC000647614884 395737984 /nfs/dbraw/zinc/73/79/84/395737984.db2.gz PRHZPXLEEKOAPO-HZPDHXFCSA-N 2 1 278.440 2.118 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H](Nc2[nH+]ccc3cc(F)ccc32)C1 ZINC000647707395 395747456 /nfs/dbraw/zinc/74/74/56/395747456.db2.gz KDPODHRACWGDES-CHWSQXEVSA-N 2 1 259.328 2.478 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647786056 395754102 /nfs/dbraw/zinc/75/41/02/395754102.db2.gz HGYRKIHDEAWBQV-MWDXBVQZSA-N 3 1 279.472 2.229 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647786056 395754103 /nfs/dbraw/zinc/75/41/03/395754103.db2.gz HGYRKIHDEAWBQV-MWDXBVQZSA-N 3 1 279.472 2.229 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1 ZINC000647956089 395783347 /nfs/dbraw/zinc/78/33/47/395783347.db2.gz ZAOZMIXYSQEZBH-MSOLQXFVSA-N 2 1 290.451 2.395 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000647956089 395783351 /nfs/dbraw/zinc/78/33/51/395783351.db2.gz ZAOZMIXYSQEZBH-MSOLQXFVSA-N 2 1 290.451 2.395 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000647956089 395783353 /nfs/dbraw/zinc/78/33/53/395783353.db2.gz ZAOZMIXYSQEZBH-MSOLQXFVSA-N 2 1 290.451 2.395 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1cccc(C)c1 ZINC000647960133 395786131 /nfs/dbraw/zinc/78/61/31/395786131.db2.gz HQLMSNFTWAJBMU-IRXDYDNUSA-N 2 1 276.424 2.445 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1cccc(C)c1 ZINC000647960133 395786133 /nfs/dbraw/zinc/78/61/33/395786133.db2.gz HQLMSNFTWAJBMU-IRXDYDNUSA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000647960133 395786135 /nfs/dbraw/zinc/78/61/35/395786135.db2.gz HQLMSNFTWAJBMU-IRXDYDNUSA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000647960133 395786138 /nfs/dbraw/zinc/78/61/38/395786138.db2.gz HQLMSNFTWAJBMU-IRXDYDNUSA-N 2 1 276.424 2.445 20 0 CEADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647872556 395766301 /nfs/dbraw/zinc/76/63/01/395766301.db2.gz AKMAHECDJWYTQT-BBRMVZONSA-N 2 1 260.381 2.442 20 0 CEADMP c1cc2c(cc1[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1)OCCO2 ZINC000647872825 395766960 /nfs/dbraw/zinc/76/69/60/395766960.db2.gz ZPCXZKPJIWFOBG-ZFWWWQNUSA-N 2 1 288.391 2.204 20 0 CEADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1OC ZINC000647874362 395766966 /nfs/dbraw/zinc/76/69/66/395766966.db2.gz NKYBJSGLOKEHCI-HIFRSBDPSA-N 2 1 290.407 2.450 20 0 CEADMP COc1ccc([C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647883318 395768943 /nfs/dbraw/zinc/76/89/43/395768943.db2.gz DGOPENSUPZIRCY-DZGCQCFKSA-N 2 1 260.381 2.094 20 0 CEADMP Nc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647903712 395770766 /nfs/dbraw/zinc/77/07/66/395770766.db2.gz OPILRZQYIRDQHB-GOEBONIOSA-N 2 1 259.397 2.233 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@](C)(OC)C2CC2)C1 ZINC000647910696 395771626 /nfs/dbraw/zinc/77/16/26/395771626.db2.gz ARIBMEMEXRFOTD-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@](C)(OC)C2CC2)C1 ZINC000647910696 395771627 /nfs/dbraw/zinc/77/16/27/395771627.db2.gz ARIBMEMEXRFOTD-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@](C)(OC)C2CC2)C1 ZINC000647910696 395771628 /nfs/dbraw/zinc/77/16/28/395771628.db2.gz ARIBMEMEXRFOTD-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CC1([NH3+])CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000647927061 395776728 /nfs/dbraw/zinc/77/67/28/395776728.db2.gz XZLOAXYFYXHYDI-UHFFFAOYSA-N 2 1 252.333 2.018 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000647970853 395791686 /nfs/dbraw/zinc/79/16/86/395791686.db2.gz IWWUWPRXCWKZPU-VYDXJSESSA-N 2 1 278.440 2.469 20 0 CEADMP CCCc1noc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647975802 395793114 /nfs/dbraw/zinc/79/31/14/395793114.db2.gz GDBNNLWHGYGDEE-KGLIPLIRSA-N 2 1 292.427 2.234 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)on1 ZINC000647977390 395793165 /nfs/dbraw/zinc/79/31/65/395793165.db2.gz AQEHWXIFXACTQG-KBPBESRZSA-N 2 1 263.385 2.195 20 0 CEADMP Cc1noc([C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647976487 395793344 /nfs/dbraw/zinc/79/33/44/395793344.db2.gz PHTZUIKJYFWKRG-UBHSHLNASA-N 2 1 278.400 2.151 20 0 CEADMP CCCCCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977362 395793740 /nfs/dbraw/zinc/79/37/40/395793740.db2.gz ADTQHWNQZFCRMO-HOTGVXAUSA-N 2 1 295.471 2.004 20 0 CEADMP COCCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978607 395794248 /nfs/dbraw/zinc/79/42/48/395794248.db2.gz VNOOFNQAUPDFIT-LSDHHAIUSA-N 2 1 254.418 2.125 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977960 395794257 /nfs/dbraw/zinc/79/42/57/395794257.db2.gz KFCSWABEWLERRY-DLBZAZTESA-N 3 1 281.488 2.430 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CCO1 ZINC000648413278 395904266 /nfs/dbraw/zinc/90/42/66/395904266.db2.gz RGZCQIKFIDPKNZ-BPLDGKMQSA-N 2 1 265.401 2.375 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)CCO1 ZINC000648438446 395908513 /nfs/dbraw/zinc/90/85/13/395908513.db2.gz JMFURLDKDNHONM-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP Cc1nc(C)c([C@H](C)[N@H+](C)C[C@H]2CC[NH2+]C2)s1 ZINC000649412954 396147121 /nfs/dbraw/zinc/14/71/21/396147121.db2.gz FZUODXUPPZHFMZ-JQWIXIFHSA-N 2 1 253.415 2.362 20 0 CEADMP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@H]2CC[NH2+]C2)s1 ZINC000649412954 396147123 /nfs/dbraw/zinc/14/71/23/396147123.db2.gz FZUODXUPPZHFMZ-JQWIXIFHSA-N 2 1 253.415 2.362 20 0 CEADMP CC[C@@](C)([NH2+]C[C@@H]1CC[NH2+]C1)c1nc(C)cs1 ZINC000649414712 396147936 /nfs/dbraw/zinc/14/79/36/396147936.db2.gz SIRWACRLEIQDBG-DGCLKSJQSA-N 2 1 253.415 2.276 20 0 CEADMP CC(C)CCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105813 396294269 /nfs/dbraw/zinc/29/42/69/396294269.db2.gz ITFMLZDBUIIGME-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP [NH3+]Cc1noc(-c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000647159637 396424815 /nfs/dbraw/zinc/42/48/15/396424815.db2.gz ZPSUJUBQUWKUFV-UHFFFAOYSA-N 2 1 272.352 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000647179304 396430824 /nfs/dbraw/zinc/43/08/24/396430824.db2.gz OYEXUZPFNUNJQN-BPQIPLTHSA-N 2 1 288.435 2.318 20 0 CEADMP CC[C@H](C)C[C@@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000647243330 396448303 /nfs/dbraw/zinc/44/83/03/396448303.db2.gz IMDHHXRMENIADX-JSGCOSHPSA-N 2 1 265.401 2.034 20 0 CEADMP Cc1n[nH]cc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647248503 396449646 /nfs/dbraw/zinc/44/96/46/396449646.db2.gz CVZHALYUFBWYGB-SJORKVTESA-N 2 1 284.407 2.153 20 0 CEADMP Cc1n[nH]cc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647248503 396449647 /nfs/dbraw/zinc/44/96/47/396449647.db2.gz CVZHALYUFBWYGB-SJORKVTESA-N 2 1 284.407 2.153 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647248996 396450197 /nfs/dbraw/zinc/45/01/97/396450197.db2.gz WHWDSROSSHZOFZ-MSOLQXFVSA-N 2 1 296.418 2.220 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647248996 396450200 /nfs/dbraw/zinc/45/02/00/396450200.db2.gz WHWDSROSSHZOFZ-MSOLQXFVSA-N 2 1 296.418 2.220 20 0 CEADMP Cc1ncccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000388919416 400535084 /nfs/dbraw/zinc/53/50/84/400535084.db2.gz WINHMPCSIUWHNN-HZPDHXFCSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ncccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000388919416 400535089 /nfs/dbraw/zinc/53/50/89/400535089.db2.gz WINHMPCSIUWHNN-HZPDHXFCSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cn2c(C[NH2+]C[C@H](C)C[NH+](C)C)c(C)nc2s1 ZINC000388905196 400535137 /nfs/dbraw/zinc/53/51/37/400535137.db2.gz LZTUHBFJADWOSG-JTQLQIEISA-N 2 1 280.441 2.300 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CC[NH2+]CC1 ZINC000394281986 400548363 /nfs/dbraw/zinc/54/83/63/400548363.db2.gz FNDYDDPSWOULKY-SJORKVTESA-N 2 1 279.472 2.325 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000650706892 400998175 /nfs/dbraw/zinc/99/81/75/400998175.db2.gz VBHPSQPGVROTIY-UMVBOHGHSA-N 2 1 280.437 2.466 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000650707314 400998374 /nfs/dbraw/zinc/99/83/74/400998374.db2.gz CRVUVWJKIAWCOW-ULQDDVLXSA-N 2 1 289.423 2.108 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000650709414 400999584 /nfs/dbraw/zinc/99/95/84/400999584.db2.gz ZCVKTCZKTDTUKJ-WMZOPIPTSA-N 2 1 296.418 2.433 20 0 CEADMP CCO[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)C[C@H]1C[NH3+] ZINC000650714661 401003711 /nfs/dbraw/zinc/00/37/11/401003711.db2.gz XBNJQKKUXPZSEA-MLGOLLRUSA-N 2 1 292.354 2.368 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)C[C@H]1C[NH3+] ZINC000650714661 401003720 /nfs/dbraw/zinc/00/37/20/401003720.db2.gz XBNJQKKUXPZSEA-MLGOLLRUSA-N 2 1 292.354 2.368 20 0 CEADMP CCO[C@@H]1C[N@H+](Cc2c(F)cccc2CC)C[C@H]1C[NH3+] ZINC000650714462 401004039 /nfs/dbraw/zinc/00/40/39/401004039.db2.gz GKLCRJJMFDAROI-CZUORRHYSA-N 2 1 280.387 2.184 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2c(F)cccc2CC)C[C@H]1C[NH3+] ZINC000650714462 401004047 /nfs/dbraw/zinc/00/40/47/401004047.db2.gz GKLCRJJMFDAROI-CZUORRHYSA-N 2 1 280.387 2.184 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000650757114 401034256 /nfs/dbraw/zinc/03/42/56/401034256.db2.gz PGPHVQGIADSQRL-DLBZAZTESA-N 3 1 273.424 2.122 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000650757114 401034262 /nfs/dbraw/zinc/03/42/62/401034262.db2.gz PGPHVQGIADSQRL-DLBZAZTESA-N 2 1 273.424 2.122 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000650757114 401034270 /nfs/dbraw/zinc/03/42/70/401034270.db2.gz PGPHVQGIADSQRL-DLBZAZTESA-N 2 1 273.424 2.122 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000359958961 155180189 /nfs/dbraw/zinc/18/01/89/155180189.db2.gz QGDCFKLUJVJBOL-HOTGVXAUSA-N 2 1 288.439 2.254 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000359958961 155180192 /nfs/dbraw/zinc/18/01/92/155180192.db2.gz QGDCFKLUJVJBOL-HOTGVXAUSA-N 2 1 288.439 2.254 20 0 CEADMP CO[C@H](C[NH2+]C[C@H]([NH3+])CC(C)C)c1ccc(F)cc1 ZINC000415084285 286011341 /nfs/dbraw/zinc/01/13/41/286011341.db2.gz ORWRFZQVHMTCSV-HUUCEWRRSA-N 2 1 268.376 2.476 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651491996 401349504 /nfs/dbraw/zinc/34/95/04/401349504.db2.gz GFOKIFZBIMITAB-NSHDSACASA-N 2 1 250.390 2.243 20 0 CEADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000651491996 401349505 /nfs/dbraw/zinc/34/95/05/401349505.db2.gz GFOKIFZBIMITAB-NSHDSACASA-N 2 1 250.390 2.243 20 0 CEADMP Cc1[nH]ncc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651491996 401349506 /nfs/dbraw/zinc/34/95/06/401349506.db2.gz GFOKIFZBIMITAB-NSHDSACASA-N 2 1 250.390 2.243 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](COC)CC(C)(C)C)C1 ZINC000651681734 401371082 /nfs/dbraw/zinc/37/10/82/401371082.db2.gz ZPUVYQQYAHYRMZ-KGLIPLIRSA-N 2 1 256.434 2.369 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc2cnccc2o1 ZINC000651693200 401372593 /nfs/dbraw/zinc/37/25/93/401372593.db2.gz GCLFFYWJMWWOHQ-UHFFFAOYSA-N 2 1 256.309 2.123 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H](C2CC2)C2CCOCC2)CC[N@@H+]1C ZINC000652247819 401472946 /nfs/dbraw/zinc/47/29/46/401472946.db2.gz RZIXOTUWVPNUEV-UHOFOFEASA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H](C2CC2)C2CCOCC2)CC[N@H+]1C ZINC000652247819 401472948 /nfs/dbraw/zinc/47/29/48/401472948.db2.gz RZIXOTUWVPNUEV-UHOFOFEASA-N 2 1 266.429 2.264 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000248816053 286064009 /nfs/dbraw/zinc/06/40/09/286064009.db2.gz ALPDIYHXNQPSEX-VVLHAWIVSA-N 2 1 298.471 2.138 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC2(CO)CCC2)[C@@H]2CCC[C@@H]21 ZINC000652312408 401485344 /nfs/dbraw/zinc/48/53/44/401485344.db2.gz OCQGSDFQEQIBCW-KKUMJFAQSA-N 2 1 266.429 2.002 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000652341365 401491045 /nfs/dbraw/zinc/49/10/45/401491045.db2.gz JDVVCMMONXDARV-CZUORRHYSA-N 2 1 264.413 2.431 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000360167485 155234357 /nfs/dbraw/zinc/23/43/57/155234357.db2.gz YRHSQEHGLJRHEO-UHFFFAOYSA-N 2 1 278.444 2.249 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1(C)C ZINC000361806407 286172203 /nfs/dbraw/zinc/17/22/03/286172203.db2.gz HUBJBGWGNSLSLY-GUIRCDHDSA-N 2 1 254.418 2.120 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1(C)C ZINC000361806407 286172205 /nfs/dbraw/zinc/17/22/05/286172205.db2.gz HUBJBGWGNSLSLY-GUIRCDHDSA-N 2 1 254.418 2.120 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360571467 155329378 /nfs/dbraw/zinc/32/93/78/155329378.db2.gz VBDGJSNOVXSIAS-KRWDZBQOSA-N 2 1 274.408 2.449 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@]2(C)CC[NH2+]C2)C12CCC2 ZINC000261880767 286333059 /nfs/dbraw/zinc/33/30/59/286333059.db2.gz QVWNJFVLHYZFDK-ZNMIVQPWSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000188566437 153060823 /nfs/dbraw/zinc/06/08/23/153060823.db2.gz PKDZEJDMFUZVEI-JSGCOSHPSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000188566437 153060827 /nfs/dbraw/zinc/06/08/27/153060827.db2.gz PKDZEJDMFUZVEI-JSGCOSHPSA-N 2 1 251.374 2.081 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189216798 153086384 /nfs/dbraw/zinc/08/63/84/153086384.db2.gz TVYFTDGAOMVSFF-CVEARBPZSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189216821 153087205 /nfs/dbraw/zinc/08/72/05/153087205.db2.gz TVYFTDGAOMVSFF-HOTGVXAUSA-N 2 1 266.429 2.362 20 0 CEADMP CCN(C)C(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000189405540 153094553 /nfs/dbraw/zinc/09/45/53/153094553.db2.gz CVKQKKCSSYNPHH-CQSZACIVSA-N 2 1 295.471 2.240 20 0 CEADMP COCCC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000230896908 292282276 /nfs/dbraw/zinc/28/22/76/292282276.db2.gz YPTJZYKNJGRINP-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCC1 ZINC000192654947 153215460 /nfs/dbraw/zinc/21/54/60/153215460.db2.gz QLFKATXHPQQUBA-PNRVRQOCSA-N 2 1 265.445 2.076 20 0 CEADMP COc1cccc([C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193606641 153237421 /nfs/dbraw/zinc/23/74/21/153237421.db2.gz XDWWARUUXBARMB-AEGPPILISA-N 2 1 260.381 2.250 20 0 CEADMP COc1cccc([C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193606641 153237425 /nfs/dbraw/zinc/23/74/25/153237425.db2.gz XDWWARUUXBARMB-AEGPPILISA-N 2 1 260.381 2.250 20 0 CEADMP COc1cccc([C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193606641 153237428 /nfs/dbraw/zinc/23/74/28/153237428.db2.gz XDWWARUUXBARMB-AEGPPILISA-N 2 1 260.381 2.250 20 0 CEADMP COc1cccc([C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193606641 153237431 /nfs/dbraw/zinc/23/74/31/153237431.db2.gz XDWWARUUXBARMB-AEGPPILISA-N 2 1 260.381 2.250 20 0 CEADMP C=Cn1cc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cn1 ZINC000194590249 153263271 /nfs/dbraw/zinc/26/32/71/153263271.db2.gz VIQKPVBNMHNYED-AWEZNQCLSA-N 2 1 285.395 2.172 20 0 CEADMP CC(C)n1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000226241335 153331223 /nfs/dbraw/zinc/33/12/23/153331223.db2.gz XHZASFCXNSHOAE-LSDHHAIUSA-N 2 1 262.401 2.180 20 0 CEADMP CC(C)n1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000226241335 153331227 /nfs/dbraw/zinc/33/12/27/153331227.db2.gz XHZASFCXNSHOAE-LSDHHAIUSA-N 2 1 262.401 2.180 20 0 CEADMP COCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000229265250 153372726 /nfs/dbraw/zinc/37/27/26/153372726.db2.gz HEHWVRCDUDIIBT-XJKSGUPXSA-N 2 1 262.397 2.263 20 0 CEADMP CCn1nc(C)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1C ZINC000336403851 154251990 /nfs/dbraw/zinc/25/19/90/154251990.db2.gz IDBXBUMNGGHERH-INIZCTEOSA-N 2 1 276.428 2.047 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1C ZINC000336403851 154251995 /nfs/dbraw/zinc/25/19/95/154251995.db2.gz IDBXBUMNGGHERH-INIZCTEOSA-N 2 1 276.428 2.047 20 0 CEADMP CCn1nc(C)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1C ZINC000336403851 154251998 /nfs/dbraw/zinc/25/19/98/154251998.db2.gz IDBXBUMNGGHERH-INIZCTEOSA-N 2 1 276.428 2.047 20 0 CEADMP CCn1nc(C)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC000336403851 154252004 /nfs/dbraw/zinc/25/20/04/154252004.db2.gz IDBXBUMNGGHERH-INIZCTEOSA-N 2 1 276.428 2.047 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2NC(C)=O)C1 ZINC000347084463 154299800 /nfs/dbraw/zinc/29/98/00/154299800.db2.gz ALKRWTSUTUWGSK-CQSZACIVSA-N 2 1 275.396 2.076 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2NC(C)=O)C1 ZINC000347084463 154299802 /nfs/dbraw/zinc/29/98/02/154299802.db2.gz ALKRWTSUTUWGSK-CQSZACIVSA-N 2 1 275.396 2.076 20 0 CEADMP CC[C@@H](CNCc1ncc(C[NH+](C)C)s1)[NH+]1CCCC1 ZINC000352778083 154338483 /nfs/dbraw/zinc/33/84/83/154338483.db2.gz FIOAGVVNYREDDW-ZDUSSCGKSA-N 2 1 296.484 2.169 20 0 CEADMP C[C@]1(CCc2ccccc2)CC[N@@H+](CCOCC[NH3+])C1 ZINC000357074312 154374575 /nfs/dbraw/zinc/37/45/75/154374575.db2.gz FVFMZDZLQIRZRB-KRWDZBQOSA-N 2 1 276.424 2.307 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@H]1C ZINC000359430338 155010395 /nfs/dbraw/zinc/01/03/95/155010395.db2.gz UEJHUSKPKHSCKX-VNQPRFMTSA-N 2 1 294.439 2.206 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000366873771 156097197 /nfs/dbraw/zinc/09/71/97/156097197.db2.gz CYRCGMBKNMICDV-RRFJBIMHSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H](O)c1ncc(C[N@@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000367306821 156161992 /nfs/dbraw/zinc/16/19/92/156161992.db2.gz AWHSAWYWUBYAME-GFCCVEGCSA-N 2 1 295.452 2.257 20 0 CEADMP C[C@@H](O)c1ncc(C[N@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000367306821 156161993 /nfs/dbraw/zinc/16/19/93/156161993.db2.gz AWHSAWYWUBYAME-GFCCVEGCSA-N 2 1 295.452 2.257 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000367601223 156212307 /nfs/dbraw/zinc/21/23/07/156212307.db2.gz NBVKWHNKLGBLJX-MGPQQGTHSA-N 2 1 265.426 2.414 20 0 CEADMP Cc1nccn1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367599618 156213653 /nfs/dbraw/zinc/21/36/53/156213653.db2.gz XCUPMSSCEWRJDM-BZUAXINKSA-N 2 1 276.428 2.044 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367599618 156213655 /nfs/dbraw/zinc/21/36/55/156213655.db2.gz XCUPMSSCEWRJDM-BZUAXINKSA-N 3 1 276.428 2.044 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367599618 156213656 /nfs/dbraw/zinc/21/36/56/156213656.db2.gz XCUPMSSCEWRJDM-BZUAXINKSA-N 3 1 276.428 2.044 20 0 CEADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367613099 156214540 /nfs/dbraw/zinc/21/45/40/156214540.db2.gz FGJYEUXQKKOODG-ZACQAIPSSA-N 2 1 290.455 2.042 20 0 CEADMP CC(C)[C@@H](O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000368394581 156335515 /nfs/dbraw/zinc/33/55/15/156335515.db2.gz WCYTUAHJQSXRIB-HOCLYGCPSA-N 2 1 280.456 2.200 20 0 CEADMP CCC[C@@H](C)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000373214370 156837868 /nfs/dbraw/zinc/83/78/68/156837868.db2.gz DFDOXXUFALZOHJ-HZPDHXFCSA-N 2 1 267.461 2.134 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cn3ccccc3n2)[C@@H]2CCC[C@H]21 ZINC000375889160 157158669 /nfs/dbraw/zinc/15/86/69/157158669.db2.gz OEVJAELGKFCUBF-YESZJQIVSA-N 2 1 298.434 2.339 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000375897055 157159399 /nfs/dbraw/zinc/15/93/99/157159399.db2.gz CUHXRRFMSBUMLR-TWMKSMIVSA-N 2 1 274.408 2.182 20 0 CEADMP Cn1ccnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000375933921 157162011 /nfs/dbraw/zinc/16/20/11/157162011.db2.gz QASQAMXFNYHEKB-AWEZNQCLSA-N 2 1 298.390 2.238 20 0 CEADMP Cn1ccnc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000375933921 157162015 /nfs/dbraw/zinc/16/20/15/157162015.db2.gz QASQAMXFNYHEKB-AWEZNQCLSA-N 2 1 298.390 2.238 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000152661168 162304848 /nfs/dbraw/zinc/30/48/48/162304848.db2.gz AQWXAVBOXNEEBS-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000162731917 162329856 /nfs/dbraw/zinc/32/98/56/162329856.db2.gz FPNRRCREPBHYML-YQQAZPJKSA-N 2 1 287.451 2.367 20 0 CEADMP C[C@H]1C[C@H](NCc2cncc(Br)c2)CC[N@H+]1C ZINC000166915870 162354037 /nfs/dbraw/zinc/35/40/37/162354037.db2.gz CJJXGFSBHGVYOP-GXFFZTMASA-N 2 1 298.228 2.416 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cncc(Br)c2)CCN1C ZINC000166915870 162354041 /nfs/dbraw/zinc/35/40/41/162354041.db2.gz CJJXGFSBHGVYOP-GXFFZTMASA-N 2 1 298.228 2.416 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000168657299 162368933 /nfs/dbraw/zinc/36/89/33/162368933.db2.gz KQLNLSPBFICDSN-NEPJUHHUSA-N 2 1 295.814 2.338 20 0 CEADMP Cc1nc(NCC(C)(C)C[NH+](C)C)c(C)c(C)[nH+]1 ZINC000177801516 165209240 /nfs/dbraw/zinc/20/92/40/165209240.db2.gz UPLTWWQLWUBGEK-UHFFFAOYSA-N 2 1 250.390 2.402 20 0 CEADMP CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2cn(C)nc2C)C1 ZINC000178510729 165245808 /nfs/dbraw/zinc/24/58/08/165245808.db2.gz HTFLZWLOHUGRTR-JSGCOSHPSA-N 2 1 264.417 2.111 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cn(C)nc2C)C1 ZINC000178510729 165245812 /nfs/dbraw/zinc/24/58/12/165245812.db2.gz HTFLZWLOHUGRTR-JSGCOSHPSA-N 2 1 264.417 2.111 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cn(C)nc2C)C1 ZINC000178510729 165245815 /nfs/dbraw/zinc/24/58/15/165245815.db2.gz HTFLZWLOHUGRTR-JSGCOSHPSA-N 2 1 264.417 2.111 20 0 CEADMP COCCO[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000179280127 165276083 /nfs/dbraw/zinc/27/60/83/165276083.db2.gz ZJXBVZJUZVBTPE-INIZCTEOSA-N 2 1 295.427 2.099 20 0 CEADMP COCCO[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000179280127 165276084 /nfs/dbraw/zinc/27/60/84/165276084.db2.gz ZJXBVZJUZVBTPE-INIZCTEOSA-N 2 1 295.427 2.099 20 0 CEADMP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(N)=O ZINC000183153751 165387725 /nfs/dbraw/zinc/38/77/25/165387725.db2.gz FWKLCXHRWSBXHK-NHYWBVRUSA-N 2 1 286.379 2.095 20 0 CEADMP C[NH+]1CCC([NH2+]CCCn2cnc3ccccc32)CC1 ZINC000020130199 171019561 /nfs/dbraw/zinc/01/95/61/171019561.db2.gz LTQPVYRQVZTBMN-UHFFFAOYSA-N 2 1 272.396 2.110 20 0 CEADMP CCC[N@H+](C)[C@@H](CNC(N)=[NH2+])c1ccc(Cl)cc1 ZINC000284865182 196146920 /nfs/dbraw/zinc/14/69/20/196146920.db2.gz DUFOVEPRXNTDLA-LBPRGKRZSA-N 2 1 268.792 2.206 20 0 CEADMP CCC[N@@H+](C)[C@@H](CNC(N)=[NH2+])c1ccc(Cl)cc1 ZINC000284865182 196146921 /nfs/dbraw/zinc/14/69/21/196146921.db2.gz DUFOVEPRXNTDLA-LBPRGKRZSA-N 2 1 268.792 2.206 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000340126377 287265095 /nfs/dbraw/zinc/26/50/95/287265095.db2.gz LSEXADLDGMGARV-OWCLPIDISA-N 2 1 295.471 2.275 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000037248664 173061413 /nfs/dbraw/zinc/06/14/13/173061413.db2.gz NHBDYRPNSYXUFU-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000040622684 174355612 /nfs/dbraw/zinc/35/56/12/174355612.db2.gz YIXSVXIGMWDYCS-CQSZACIVSA-N 2 1 290.407 2.278 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000040622684 174355613 /nfs/dbraw/zinc/35/56/13/174355613.db2.gz YIXSVXIGMWDYCS-CQSZACIVSA-N 2 1 290.407 2.278 20 0 CEADMP CC(=O)N1CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000040668827 174367346 /nfs/dbraw/zinc/36/73/46/174367346.db2.gz OSNYZBBULLINMY-WMLDXEAASA-N 2 1 295.471 2.097 20 0 CEADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc2c1C[NH2+]C2 ZINC000662836220 414766973 /nfs/dbraw/zinc/76/69/73/414766973.db2.gz WYFLQVPYQDHYIK-IAGOWNOFSA-N 2 1 299.418 2.037 20 0 CEADMP CC[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000404047936 414770615 /nfs/dbraw/zinc/77/06/15/414770615.db2.gz IEFKSTBKKJVKEA-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]CC[N@H+](C)C2CCCC2)CCO1 ZINC000070362057 414771786 /nfs/dbraw/zinc/77/17/86/414771786.db2.gz RJYUVGZPHNRVCJ-HIFRSBDPSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)CCO1 ZINC000070362057 414771792 /nfs/dbraw/zinc/77/17/92/414771792.db2.gz RJYUVGZPHNRVCJ-HIFRSBDPSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)CCO1 ZINC000070362058 414772301 /nfs/dbraw/zinc/77/23/01/414772301.db2.gz RJYUVGZPHNRVCJ-DZGCQCFKSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)CCO1 ZINC000070362058 414772304 /nfs/dbraw/zinc/77/23/04/414772304.db2.gz RJYUVGZPHNRVCJ-DZGCQCFKSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000404371159 414780519 /nfs/dbraw/zinc/78/05/19/414780519.db2.gz IYLIKYJDVYCYHJ-GWCFXTLKSA-N 2 1 253.415 2.401 20 0 CEADMP CCO[C@@H]1C[N@H+]([C@@H](C)c2cccc(OC)c2)C[C@H]1C[NH3+] ZINC000405415994 414795021 /nfs/dbraw/zinc/79/50/21/414795021.db2.gz BWOZVUOCLZWYQG-JGGQBBKZSA-N 2 1 278.396 2.052 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCC2)CCO1 ZINC000132076275 414820526 /nfs/dbraw/zinc/82/05/26/414820526.db2.gz WDTHTMGZKAHXAM-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC(C)(C)C1 ZINC000660452196 414826643 /nfs/dbraw/zinc/82/66/43/414826643.db2.gz CNZFXWXIYDAAQC-KBPBESRZSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000660452196 414826647 /nfs/dbraw/zinc/82/66/47/414826647.db2.gz CNZFXWXIYDAAQC-KBPBESRZSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000660452196 414826653 /nfs/dbraw/zinc/82/66/53/414826653.db2.gz CNZFXWXIYDAAQC-KBPBESRZSA-N 2 1 256.434 2.198 20 0 CEADMP CC1(C)CC([NH2+]Cc2cnn3c2CCC3)CC(C)(C)[NH2+]1 ZINC000657292318 414837977 /nfs/dbraw/zinc/83/79/77/414837977.db2.gz HYSFGSBUTYWAGE-UHFFFAOYSA-N 2 1 276.428 2.228 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(C)(C)C)CC1 ZINC000311453180 414859387 /nfs/dbraw/zinc/85/93/87/414859387.db2.gz JUYZXHTXSIKMBO-LSDHHAIUSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000311453180 414859392 /nfs/dbraw/zinc/85/93/92/414859392.db2.gz JUYZXHTXSIKMBO-LSDHHAIUSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000311453180 414859398 /nfs/dbraw/zinc/85/93/98/414859398.db2.gz JUYZXHTXSIKMBO-LSDHHAIUSA-N 2 1 270.461 2.447 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000660638788 414911957 /nfs/dbraw/zinc/91/19/57/414911957.db2.gz DHZUKFJJDKRYLI-KZNAEPCWSA-N 2 1 293.499 2.382 20 0 CEADMP Cc1nccn1CCCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660658477 414920437 /nfs/dbraw/zinc/92/04/37/414920437.db2.gz CUKCICGZFFXOQY-QGZVFWFLSA-N 3 1 290.455 2.389 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660658477 414920439 /nfs/dbraw/zinc/92/04/39/414920439.db2.gz CUKCICGZFFXOQY-QGZVFWFLSA-N 3 1 290.455 2.389 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660658477 414920442 /nfs/dbraw/zinc/92/04/42/414920442.db2.gz CUKCICGZFFXOQY-QGZVFWFLSA-N 3 1 290.455 2.389 20 0 CEADMP COc1cccc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000660657844 414921476 /nfs/dbraw/zinc/92/14/76/414921476.db2.gz AYIPYPFXWJFFIG-MRXNPFEDSA-N 2 1 275.396 2.008 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CO1 ZINC000663343967 414922379 /nfs/dbraw/zinc/92/23/79/414922379.db2.gz LBXSPHYPSJKCGY-HRCADAONSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(N)c1)C2 ZINC000660663012 414922692 /nfs/dbraw/zinc/92/26/92/414922692.db2.gz MMOZMSWHARYPPR-INIZCTEOSA-N 2 1 259.397 2.187 20 0 CEADMP CCOCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674239 414929890 /nfs/dbraw/zinc/92/98/90/414929890.db2.gz NWYKWGKKIVFVPN-UHFFFAOYSA-N 2 1 262.397 2.277 20 0 CEADMP c1cc2c(cc[nH+]c2NC[C@@H]2CC[N@H+](C3CC3)C2)[nH]1 ZINC000663387215 414939374 /nfs/dbraw/zinc/93/93/74/414939374.db2.gz WPBKXLZRUFVSDN-NSHDSACASA-N 2 1 256.353 2.459 20 0 CEADMP [NH3+]Cc1ccc(-c2noc(C3([NH3+])CC4(CCC4)C3)n2)cc1 ZINC000663251802 414894656 /nfs/dbraw/zinc/89/46/56/414894656.db2.gz RMGFBCNMETZSCT-UHFFFAOYSA-N 2 1 284.363 2.313 20 0 CEADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2c[nH+]cn2c1 ZINC000654314426 414903369 /nfs/dbraw/zinc/90/33/69/414903369.db2.gz IKVSLOZETXTELS-JKSUJKDBSA-N 2 1 298.390 2.081 20 0 CEADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497059 414970059 /nfs/dbraw/zinc/97/00/59/414970059.db2.gz AOWRARILJJMKHT-WIHSUSGWSA-N 2 1 292.398 2.115 20 0 CEADMP CCOCC[N@H+]1CCN(c2[nH+]ccc3[nH]ccc32)C[C@H]1C ZINC000663555989 414988785 /nfs/dbraw/zinc/98/87/85/414988785.db2.gz VXNRNTPCVBEAEY-CYBMUJFWSA-N 2 1 288.395 2.110 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1(CO)CC1 ZINC000657601673 415018328 /nfs/dbraw/zinc/01/83/28/415018328.db2.gz CLCZJWJSNCUGDZ-OAHLLOKOSA-N 2 1 288.435 2.402 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCCC1(C)C ZINC000654534403 414961725 /nfs/dbraw/zinc/96/17/25/414961725.db2.gz XJFZMHSQXMZZMT-ZDUSSCGKSA-N 2 1 283.460 2.144 20 0 CEADMP C([NH2+][C@H]1CCSC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467484 414964108 /nfs/dbraw/zinc/96/41/08/414964108.db2.gz GABVKUALNKYHOT-KBPBESRZSA-N 2 1 254.443 2.204 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657694016 415049101 /nfs/dbraw/zinc/04/91/01/415049101.db2.gz JKPIKHZKEFZNQV-BBWFWOEESA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000653600605 415050791 /nfs/dbraw/zinc/05/07/91/415050791.db2.gz JFFDRFRSWCHRBN-GOEBONIOSA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000653600605 415050797 /nfs/dbraw/zinc/05/07/97/415050797.db2.gz JFFDRFRSWCHRBN-GOEBONIOSA-N 2 1 264.413 2.267 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC(CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000657810324 415089866 /nfs/dbraw/zinc/08/98/66/415089866.db2.gz AQOMZRISXVPILC-YKWDICOMSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC(CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000657810324 415089870 /nfs/dbraw/zinc/08/98/70/415089870.db2.gz AQOMZRISXVPILC-YKWDICOMSA-N 2 1 288.435 2.400 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2C[C@H](Oc3ccccc3)C2)CC1 ZINC000657645669 415035719 /nfs/dbraw/zinc/03/57/19/415035719.db2.gz DUMXEFTVNBSGBZ-KOMQPUFPSA-N 2 1 260.381 2.280 20 0 CEADMP Cc1cc(CO)cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)[nH+]1 ZINC000663745560 415035900 /nfs/dbraw/zinc/03/59/00/415035900.db2.gz CZQWSMWDNMEQBQ-MRXNPFEDSA-N 2 1 289.423 2.050 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657834997 415099890 /nfs/dbraw/zinc/09/98/90/415099890.db2.gz JSNOSOGISCCHPI-MRXNPFEDSA-N 2 1 299.528 2.279 20 0 CEADMP FCC1(CF)CC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000657840136 415101535 /nfs/dbraw/zinc/10/15/35/415101535.db2.gz MJNXKDQNRMVKQL-WCQYABFASA-N 2 1 258.356 2.291 20 0 CEADMP C[C@@H]1CC2(C[N@@H+]1CCCc1c[nH+]cn1C)CCOCC2 ZINC000653777918 415102123 /nfs/dbraw/zinc/10/21/23/415102123.db2.gz ZSORFULMPLODRV-CQSZACIVSA-N 2 1 277.412 2.244 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CCCc1c[nH+]cn1C)CCOCC2 ZINC000653777918 415102127 /nfs/dbraw/zinc/10/21/27/415102127.db2.gz ZSORFULMPLODRV-CQSZACIVSA-N 2 1 277.412 2.244 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657842302 415103187 /nfs/dbraw/zinc/10/31/87/415103187.db2.gz ANNPTHWGDOKAGE-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCSCC1 ZINC000657879947 415112797 /nfs/dbraw/zinc/11/27/97/415112797.db2.gz NKWSLKXZSIABHF-HUUCEWRRSA-N 2 1 286.485 2.099 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(c2ccco2)CC1 ZINC000661161680 415114900 /nfs/dbraw/zinc/11/49/00/415114900.db2.gz VFUVSACEQSWAEO-OAHLLOKOSA-N 2 1 280.412 2.160 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C(C)(C)C)[C@H](C)C1 ZINC000658057566 415178789 /nfs/dbraw/zinc/17/87/89/415178789.db2.gz PGFJEWRCPJKAQO-ILXRZTDVSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C(C)(C)C)[C@H](C)C1 ZINC000658057566 415178794 /nfs/dbraw/zinc/17/87/94/415178794.db2.gz PGFJEWRCPJKAQO-ILXRZTDVSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C(C)(C)C)[C@H](C)C1 ZINC000658057566 415178796 /nfs/dbraw/zinc/17/87/96/415178796.db2.gz PGFJEWRCPJKAQO-ILXRZTDVSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)[C@H](C)C1 ZINC000658057566 415178799 /nfs/dbraw/zinc/17/87/99/415178799.db2.gz PGFJEWRCPJKAQO-ILXRZTDVSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)[C@H](C)C1 ZINC000658057566 415178803 /nfs/dbraw/zinc/17/88/03/415178803.db2.gz PGFJEWRCPJKAQO-ILXRZTDVSA-N 2 1 267.461 2.179 20 0 CEADMP CC[C@H](C)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658123770 415220251 /nfs/dbraw/zinc/22/02/51/415220251.db2.gz LWSLEIRIZMQGRU-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)CC[N@@H+]1C ZINC000658232049 415268148 /nfs/dbraw/zinc/26/81/48/415268148.db2.gz DGTIGGBPTVOJGX-DZUCGIPZSA-N 2 1 290.455 2.204 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)CC[N@H+]1C ZINC000658232049 415268156 /nfs/dbraw/zinc/26/81/56/415268156.db2.gz DGTIGGBPTVOJGX-DZUCGIPZSA-N 2 1 290.455 2.204 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc(Cl)cn1 ZINC000664197514 415220439 /nfs/dbraw/zinc/22/04/39/415220439.db2.gz ZLAQIVBLWNJATQ-LBPRGKRZSA-N 2 1 284.835 2.419 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(Cl)cn1 ZINC000664197514 415220443 /nfs/dbraw/zinc/22/04/43/415220443.db2.gz ZLAQIVBLWNJATQ-LBPRGKRZSA-N 2 1 284.835 2.419 20 0 CEADMP CC(C)CC[C@@](C)(O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655716418 415408615 /nfs/dbraw/zinc/40/86/15/415408615.db2.gz XCKBPQYFMLGMOE-DLBZAZTESA-N 2 1 298.471 2.017 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1(C)C ZINC000655722016 415410967 /nfs/dbraw/zinc/41/09/67/415410967.db2.gz UVSDWMDPNOPWMO-ARFHVFGLSA-N 2 1 296.455 2.033 20 0 CEADMP C(CC1CC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655730821 415418299 /nfs/dbraw/zinc/41/82/99/415418299.db2.gz NSPKNCVIRDIOQM-HNNXBMFYSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655729363 415419288 /nfs/dbraw/zinc/41/92/88/415419288.db2.gz FNLSCWJXPYKLNK-GOSISDBHSA-N 2 1 288.435 2.380 20 0 CEADMP C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)CC1CC1 ZINC000655729070 415419837 /nfs/dbraw/zinc/41/98/37/415419837.db2.gz DTBMWBGFDDEOTE-INIZCTEOSA-N 2 1 266.429 2.410 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC[C@H](C)SC2)CC1 ZINC000655688852 415387258 /nfs/dbraw/zinc/38/72/58/415387258.db2.gz MZZOTUASKLTPJJ-JKSUJKDBSA-N 2 1 299.528 2.278 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH2+]C)C1 ZINC000659017982 415387704 /nfs/dbraw/zinc/38/77/04/415387704.db2.gz BEBGDHJLDYXJTA-AWEZNQCLSA-N 2 1 290.411 2.012 20 0 CEADMP c1cc2cnccc2c(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000655754291 415433290 /nfs/dbraw/zinc/43/32/90/415433290.db2.gz QZIOZDQRUHOVJM-UHFFFAOYSA-N 2 1 255.365 2.420 20 0 CEADMP C(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C[C@@H]1CCCCO1 ZINC000655755281 415437397 /nfs/dbraw/zinc/43/73/97/415437397.db2.gz WAAMCGGYAQPWAY-IRXDYDNUSA-N 2 1 296.455 2.179 20 0 CEADMP COCCC(C)(C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655755044 415438456 /nfs/dbraw/zinc/43/84/56/415438456.db2.gz MCSLGVRPLYCTRT-INIZCTEOSA-N 2 1 298.471 2.282 20 0 CEADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CCCCS1 ZINC000655754966 415439016 /nfs/dbraw/zinc/43/90/16/415439016.db2.gz ZGCMSUOMQUDLCL-HUUCEWRRSA-N 2 1 284.469 2.115 20 0 CEADMP Cc1cscc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655761386 415441387 /nfs/dbraw/zinc/44/13/87/415441387.db2.gz ISSJBYJCYWYMIY-OAHLLOKOSA-N 2 1 280.437 2.399 20 0 CEADMP CC1(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655764493 415444922 /nfs/dbraw/zinc/44/49/22/415444922.db2.gz IYCFNSRNIMGMDY-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@](C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)OC ZINC000655773306 415451572 /nfs/dbraw/zinc/45/15/72/415451572.db2.gz VHESFOZPRAQWEF-JKSUJKDBSA-N 2 1 284.444 2.035 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000655776310 415455602 /nfs/dbraw/zinc/45/56/02/415455602.db2.gz FVNLBFREMLXCNW-BRWVUGGUSA-N 2 1 296.455 2.177 20 0 CEADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000655776389 415456858 /nfs/dbraw/zinc/45/68/58/415456858.db2.gz IUDGCXLEKQMYBA-SIXLDLHFSA-N 2 1 278.440 2.408 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000655793194 415474060 /nfs/dbraw/zinc/47/40/60/415474060.db2.gz VYVOMMLYBZLZFN-DIECFANBSA-N 2 1 278.440 2.408 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655848179 415518019 /nfs/dbraw/zinc/51/80/19/415518019.db2.gz GQCOEIMJMRIYNJ-DLBZAZTESA-N 2 1 279.472 2.467 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3noc4ccccc43)C[C@H]12 ZINC000655938621 415560693 /nfs/dbraw/zinc/56/06/93/415560693.db2.gz ZEFUBWWQYYHVGM-KWCYVHTRSA-N 2 1 271.364 2.039 20 0 CEADMP Cc1ccncc1CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000665239080 415640868 /nfs/dbraw/zinc/64/08/68/415640868.db2.gz LSUHMFVXFXIUQU-LBPRGKRZSA-N 2 1 256.353 2.091 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000665251647 415649848 /nfs/dbraw/zinc/64/98/48/415649848.db2.gz VIVWLRLFMVOFLE-IWKCEXAMSA-N 2 1 299.462 2.347 20 0 CEADMP C[C@@H](CCCCO)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257518 415653920 /nfs/dbraw/zinc/65/39/20/415653920.db2.gz LTJQKTOCFSZDSQ-IAOVAPTHSA-N 2 1 294.414 2.412 20 0 CEADMP O[C@@H]1CC[N@H+](C2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000662150594 415658342 /nfs/dbraw/zinc/65/83/42/415658342.db2.gz XXVYDJBJOZBLSU-MRXNPFEDSA-N 2 1 294.826 2.371 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CC1CCC1 ZINC000662157521 415660750 /nfs/dbraw/zinc/66/07/50/415660750.db2.gz PSXSNRHFASWILW-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662157521 415660755 /nfs/dbraw/zinc/66/07/55/415660755.db2.gz PSXSNRHFASWILW-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662157521 415660759 /nfs/dbraw/zinc/66/07/59/415660759.db2.gz PSXSNRHFASWILW-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000662155501 415661562 /nfs/dbraw/zinc/66/15/62/415661562.db2.gz JPZUOWZLNXQZTQ-YJBOKZPZSA-N 2 1 288.435 2.321 20 0 CEADMP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OC)cc1 ZINC000665277380 415669597 /nfs/dbraw/zinc/66/95/97/415669597.db2.gz ZZPCCFYEVXRHAL-NRAUKZCXSA-N 2 1 260.381 2.488 20 0 CEADMP CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(F)cc1 ZINC000665289483 415679043 /nfs/dbraw/zinc/67/90/43/415679043.db2.gz PBUOCSSMFMAVCX-CYBMUJFWSA-N 2 1 290.342 2.021 20 0 CEADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H](CC2CC2)c2ccccc2)n1 ZINC000665291701 415679260 /nfs/dbraw/zinc/67/92/60/415679260.db2.gz INWDXLMKLKTLJE-OAHLLOKOSA-N 2 1 298.390 2.272 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254372 415721490 /nfs/dbraw/zinc/72/14/90/415721490.db2.gz HRGDZEZKLSTFRM-DJIMGWMZSA-N 2 1 286.419 2.385 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](COC)OC)CC1 ZINC000659845809 415725847 /nfs/dbraw/zinc/72/58/47/415725847.db2.gz BNZPHALMVLBTPX-MRXNPFEDSA-N 2 1 286.460 2.092 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)C1CCCC1 ZINC000662244635 415708484 /nfs/dbraw/zinc/70/84/84/415708484.db2.gz JECQWCXPMFVSTQ-NWANDNLSSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250191 415712527 /nfs/dbraw/zinc/71/25/27/415712527.db2.gz AGRHETNENDOAIE-WCQYABFASA-N 2 1 296.361 2.479 20 0 CEADMP C[C@H](c1cccs1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251297 415714087 /nfs/dbraw/zinc/71/40/87/415714087.db2.gz CMFFARYRTKGZPR-VXGBXAGGSA-N 2 1 266.410 2.262 20 0 CEADMP [NH3+]C[C@H](NCc1cccc2c1CC[NH2+]C2)C1CCCCC1 ZINC000662276335 415743422 /nfs/dbraw/zinc/74/34/22/415743422.db2.gz HKQSRJUSRDIHOR-SFHVURJKSA-N 2 1 287.451 2.330 20 0 CEADMP c1cncc(CC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662293701 415760381 /nfs/dbraw/zinc/76/03/81/415760381.db2.gz MHUDTJRWRZHSKA-KRWDZBQOSA-N 2 1 273.424 2.336 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(C)(C)C ZINC000659879988 415755029 /nfs/dbraw/zinc/75/50/29/415755029.db2.gz FYMYOZYXFVGHJA-UONOGXRCSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000659879988 415755034 /nfs/dbraw/zinc/75/50/34/415755034.db2.gz FYMYOZYXFVGHJA-UONOGXRCSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000659879988 415755038 /nfs/dbraw/zinc/75/50/38/415755038.db2.gz FYMYOZYXFVGHJA-UONOGXRCSA-N 2 1 256.434 2.198 20 0 CEADMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294544 415759746 /nfs/dbraw/zinc/75/97/46/415759746.db2.gz CJWMMFICXWMBPL-LZWOXQAQSA-N 2 1 295.471 2.001 20 0 CEADMP CO[C@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CCCC1 ZINC000662325406 415781289 /nfs/dbraw/zinc/78/12/89/415781289.db2.gz FXXNQPSAHYETIO-DLBZAZTESA-N 2 1 298.471 2.234 20 0 CEADMP Cc1cc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)nc(C)[nH+]1 ZINC000656607675 415783826 /nfs/dbraw/zinc/78/38/26/415783826.db2.gz DXXKORQLFCUFMM-OAHLLOKOSA-N 2 1 274.412 2.309 20 0 CEADMP CC(C)=CCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000659932097 415790723 /nfs/dbraw/zinc/79/07/23/415790723.db2.gz ZBISVTKLAOEBNQ-UHFFFAOYSA-N 2 1 254.418 2.121 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CCC1 ZINC000660013390 415850748 /nfs/dbraw/zinc/85/07/48/415850748.db2.gz WYRRZACFXDUWBW-ARFHVFGLSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1CCC1 ZINC000660013390 415850755 /nfs/dbraw/zinc/85/07/55/415850755.db2.gz WYRRZACFXDUWBW-ARFHVFGLSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1CCC1 ZINC000660013390 415850758 /nfs/dbraw/zinc/85/07/58/415850758.db2.gz WYRRZACFXDUWBW-ARFHVFGLSA-N 2 1 266.429 2.218 20 0 CEADMP C[N@@H+](CCNC(=O)C1([NH3+])CC2(CCC2)C1)C1CCCCC1 ZINC000662680589 415929125 /nfs/dbraw/zinc/92/91/25/415929125.db2.gz KBBVYPCQRPHKSA-UHFFFAOYSA-N 2 1 293.455 2.029 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C[C@H](C)C1 ZINC000660122517 415891068 /nfs/dbraw/zinc/89/10/68/415891068.db2.gz WWFHCCYTBCHKQC-QLFBSQMISA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000660122517 415891076 /nfs/dbraw/zinc/89/10/76/415891076.db2.gz WWFHCCYTBCHKQC-QLFBSQMISA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000660122517 415891079 /nfs/dbraw/zinc/89/10/79/415891079.db2.gz WWFHCCYTBCHKQC-QLFBSQMISA-N 2 1 256.434 2.056 20 0 CEADMP CN(Cc1cnc[nH]1)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662585556 415893859 /nfs/dbraw/zinc/89/38/59/415893859.db2.gz JZTYOTHPRUWPCP-AWEZNQCLSA-N 2 1 298.390 2.061 20 0 CEADMP C[C@H](CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000662623022 415907999 /nfs/dbraw/zinc/90/79/99/415907999.db2.gz WLZZFABGOAMKDO-KFWWJZLASA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000662621998 415909068 /nfs/dbraw/zinc/90/90/68/415909068.db2.gz OAYFFWSVTPDEKX-SOUVJXGZSA-N 2 1 295.471 2.273 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000662678254 415927319 /nfs/dbraw/zinc/92/73/19/415927319.db2.gz CHMHEZLVTNOTGT-OAGGEKHMSA-N 2 1 297.487 2.377 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000660215973 415927918 /nfs/dbraw/zinc/92/79/18/415927918.db2.gz YKWWJOBNVPXFQX-QZTJIDSGSA-N 2 1 290.451 2.298 20 0 CEADMP CCn1nccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783623 415859510 /nfs/dbraw/zinc/85/95/10/415859510.db2.gz RKXQQBFPAONAEK-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP C[N@@H+](CCCc1ccc2c(c1)CCO2)CC(C)(C)[NH3+] ZINC000656784203 415860104 /nfs/dbraw/zinc/86/01/04/415860104.db2.gz AFZFRBFKVKSZEB-UHFFFAOYSA-N 2 1 262.397 2.223 20 0 CEADMP CC[NH+](CC)CCSCCCc1c[nH+]cn1C ZINC000566572473 299005645 /nfs/dbraw/zinc/00/56/45/299005645.db2.gz PCTAVPUGAYIIEC-UHFFFAOYSA-N 2 1 255.431 2.428 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1nc2c(s1)CCCC2 ZINC000666744103 419412453 /nfs/dbraw/zinc/41/24/53/419412453.db2.gz UZUJHEFUYVUAAT-WDEREUQCSA-N 2 1 265.426 2.239 20 0 CEADMP Fc1ccc(-n2nccc2C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000666858133 419451125 /nfs/dbraw/zinc/45/11/25/419451125.db2.gz ZDXQYWWTTBVVMJ-AWEZNQCLSA-N 2 1 288.370 2.243 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666997132 419506705 /nfs/dbraw/zinc/50/67/05/419506705.db2.gz YKQCDSJTSLOKFX-CYBMUJFWSA-N 2 1 290.455 2.309 20 0 CEADMP CCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC(C)(C)O ZINC000667598356 419723970 /nfs/dbraw/zinc/72/39/70/419723970.db2.gz QRDXINQDARVOKG-UHFFFAOYSA-N 2 1 288.395 2.250 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667853683 419829140 /nfs/dbraw/zinc/82/91/40/419829140.db2.gz LCNIPUCMPGQEJQ-FVQBIDKESA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@H](C)NC(=O)C[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000348315103 287606212 /nfs/dbraw/zinc/60/62/12/287606212.db2.gz CWDLEJNSEBHUSL-JYJNAYRXSA-N 2 1 297.487 2.391 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)CC1CCCC1 ZINC000300072152 260211136 /nfs/dbraw/zinc/21/11/36/260211136.db2.gz KBDGFMUSIPTSHJ-ARFHVFGLSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CO1 ZINC000402233091 260264736 /nfs/dbraw/zinc/26/47/36/260264736.db2.gz VNBJZYLXPXOFPZ-QAPCUYQASA-N 2 1 288.435 2.461 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)C1 ZINC000430549716 263255223 /nfs/dbraw/zinc/25/52/23/263255223.db2.gz JDFTYUKWWCCURY-QKPAOTATSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)C1 ZINC000430549716 263255225 /nfs/dbraw/zinc/25/52/25/263255225.db2.gz JDFTYUKWWCCURY-QKPAOTATSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)cc2)[C@@H]1C[NH3+] ZINC000430551399 263262723 /nfs/dbraw/zinc/26/27/23/263262723.db2.gz HXIKIKVHDFEBDS-SWLSCSKDSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)[C@@H]1C[NH3+] ZINC000430551399 263262724 /nfs/dbraw/zinc/26/27/24/263262724.db2.gz HXIKIKVHDFEBDS-SWLSCSKDSA-N 2 1 293.386 2.214 20 0 CEADMP CS[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000425363213 264135827 /nfs/dbraw/zinc/13/58/27/264135827.db2.gz WEWFGLSFRFHLCD-HUUCEWRRSA-N 2 1 286.485 2.359 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](OC)C2CC2)C1 ZINC000425411972 264294572 /nfs/dbraw/zinc/29/45/72/264294572.db2.gz BIZRIVNDBQQOIS-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](OC)C2CC2)C1 ZINC000425411972 264294574 /nfs/dbraw/zinc/29/45/74/264294574.db2.gz BIZRIVNDBQQOIS-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](OC)C2CC2)C1 ZINC000425411972 264294576 /nfs/dbraw/zinc/29/45/76/264294576.db2.gz BIZRIVNDBQQOIS-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000518995621 265285113 /nfs/dbraw/zinc/28/51/13/265285113.db2.gz CXIMXNFHGHLKFU-UKRRQHHQSA-N 2 1 262.397 2.439 20 0 CEADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc(OC)c1 ZINC000044534173 270229783 /nfs/dbraw/zinc/22/97/83/270229783.db2.gz NXUJIUAKUSNCST-CYBMUJFWSA-N 2 1 278.396 2.135 20 0 CEADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc(OC)c1 ZINC000044534173 270229785 /nfs/dbraw/zinc/22/97/85/270229785.db2.gz NXUJIUAKUSNCST-CYBMUJFWSA-N 2 1 278.396 2.135 20 0 CEADMP CC(C)CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000227800371 270312382 /nfs/dbraw/zinc/31/23/82/270312382.db2.gz GEHWRHSDMMNPGQ-ROUUACIJSA-N 2 1 290.451 2.428 20 0 CEADMP OC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000230678264 270313915 /nfs/dbraw/zinc/31/39/15/270313915.db2.gz ZHPWFQSNRDZQIJ-WMZOPIPTSA-N 2 1 288.435 2.402 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C(C)(C)C[NH3+])c1 ZINC000236653759 270316157 /nfs/dbraw/zinc/31/61/57/270316157.db2.gz APKAOFZGTZNSNS-UHFFFAOYSA-N 2 1 291.439 2.128 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cccc3nsnc32)C1 ZINC000269041823 270331289 /nfs/dbraw/zinc/33/12/89/270331289.db2.gz VKMLSDPJQJQNMN-LBPRGKRZSA-N 2 1 290.436 2.465 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000398011109 270356295 /nfs/dbraw/zinc/35/62/95/270356295.db2.gz CXXGTDNKOKIWQN-VDHUWJSZSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000398011109 270356297 /nfs/dbraw/zinc/35/62/97/270356297.db2.gz CXXGTDNKOKIWQN-VDHUWJSZSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398140402 270357222 /nfs/dbraw/zinc/35/72/22/270357222.db2.gz WCWIQDXQPIMSOK-LAVFITLUSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])CN1Cc1ccccc1 ZINC000398140402 270357224 /nfs/dbraw/zinc/35/72/24/270357224.db2.gz WCWIQDXQPIMSOK-LAVFITLUSA-N 2 1 287.451 2.366 20 0 CEADMP COC(=O)c1cc2cc(C[NH+]3CCC([NH3+])CC3)ccc2o1 ZINC000420272917 270500758 /nfs/dbraw/zinc/50/07/58/270500758.db2.gz MSZLYGICJYQYMD-UHFFFAOYSA-N 2 1 288.347 2.143 20 0 CEADMP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338850 270521503 /nfs/dbraw/zinc/52/15/03/270521503.db2.gz YDNUUPBIUVXANI-RBSFLKMASA-N 2 1 282.428 2.040 20 0 CEADMP CC[C@@H](NCC[N@H+]1CCCC[C@@H]1CC)[C@@H]1CCC[NH2+]1 ZINC000422725144 270742326 /nfs/dbraw/zinc/74/23/26/270742326.db2.gz AQUBEINXRMEZBP-XHSDSOJGSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1nccn1C)c1ccccc1F ZINC000422806015 270777723 /nfs/dbraw/zinc/77/77/23/270777723.db2.gz HPGIGCDIBIFTFO-SWLSCSKDSA-N 2 1 290.386 2.366 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc(-n2cccn2)cc1)[C@H]1CCC[NH2+]1 ZINC000422824470 270785116 /nfs/dbraw/zinc/78/51/16/270785116.db2.gz NTOFOKNYQWCRDC-RHSMWYFYSA-N 2 1 284.407 2.145 20 0 CEADMP CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000422822923 270785354 /nfs/dbraw/zinc/78/53/54/270785354.db2.gz BWFSVSCLRRHTEE-KBPBESRZSA-N 2 1 278.396 2.453 20 0 CEADMP C([NH2+][C@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C12CCC(CC1)C2 ZINC000423017773 270820983 /nfs/dbraw/zinc/82/09/83/270820983.db2.gz XBTXKGHIMKQNFG-NMSBFTQNSA-N 2 1 278.440 2.313 20 0 CEADMP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000423107422 270837792 /nfs/dbraw/zinc/83/77/92/270837792.db2.gz KVIZKWQTFMCNPS-QJPTWQEYSA-N 2 1 292.345 2.076 20 0 CEADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000423365056 270905328 /nfs/dbraw/zinc/90/53/28/270905328.db2.gz PCEIWAOABKYGGB-IUODEOHRSA-N 2 1 275.396 2.438 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)CCCO2 ZINC000423389325 270908534 /nfs/dbraw/zinc/90/85/34/270908534.db2.gz JIKDQPDTWACDEI-UHOFOFEASA-N 2 1 290.407 2.497 20 0 CEADMP COC(=O)CC1CC([NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000424321552 271044227 /nfs/dbraw/zinc/04/42/27/271044227.db2.gz UMMZVUPNPUBSBD-DGKWVBSXSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)CC1CC([NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000424321552 271044230 /nfs/dbraw/zinc/04/42/30/271044230.db2.gz UMMZVUPNPUBSBD-DGKWVBSXSA-N 2 1 282.428 2.181 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc(OC)c1 ZINC000424373053 271051554 /nfs/dbraw/zinc/05/15/54/271051554.db2.gz GMZPMYWQTSXACN-HUUCEWRRSA-N 2 1 264.369 2.063 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000424430293 271054259 /nfs/dbraw/zinc/05/42/59/271054259.db2.gz ZVHGIILQCPKSTO-WFASDCNBSA-N 2 1 290.411 2.058 20 0 CEADMP C[NH+](C)C1CC[NH+](CCN2CCc3ccccc32)CC1 ZINC000428457054 271268576 /nfs/dbraw/zinc/26/85/76/271268576.db2.gz JRLNDCXNUKTQKR-UHFFFAOYSA-N 2 1 273.424 2.075 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCC[C@@H]2C)[C@@H](C)C1 ZINC000429804709 271344649 /nfs/dbraw/zinc/34/46/49/271344649.db2.gz PRFAXLRFEXPPDF-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N2CCC[C@@H]2C)[C@@H](C)C1 ZINC000429804709 271344650 /nfs/dbraw/zinc/34/46/50/271344650.db2.gz PRFAXLRFEXPPDF-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N2CCC[C@@H]2C)[C@@H](C)C1 ZINC000429804709 271344651 /nfs/dbraw/zinc/34/46/51/271344651.db2.gz PRFAXLRFEXPPDF-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CC1=C[C@@H](C)CN(CC(O)C[N@@H+]2CC(C)=C[C@@H](C)C2)C1 ZINC000430281365 271370401 /nfs/dbraw/zinc/37/04/01/271370401.db2.gz CKTSJXHJYCPXQU-UKRRQHHQSA-N 2 1 278.440 2.143 20 0 CEADMP CC1=C[C@@H](C)C[NH+](CC(O)C[N@@H+]2CC(C)=C[C@@H](C)C2)C1 ZINC000430281365 271370403 /nfs/dbraw/zinc/37/04/03/271370403.db2.gz CKTSJXHJYCPXQU-UKRRQHHQSA-N 2 1 278.440 2.143 20 0 CEADMP CC1=C[C@@H](C)C[NH+](CC(O)C[N@H+]2CC(C)=C[C@@H](C)C2)C1 ZINC000430281365 271370405 /nfs/dbraw/zinc/37/04/05/271370405.db2.gz CKTSJXHJYCPXQU-UKRRQHHQSA-N 2 1 278.440 2.143 20 0 CEADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000430564101 271390914 /nfs/dbraw/zinc/39/09/14/271390914.db2.gz ALORBJULLOILRT-INIZCTEOSA-N 2 1 273.380 2.403 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000430606704 271397791 /nfs/dbraw/zinc/39/77/91/271397791.db2.gz AELZLMUZERWHOO-CYBMUJFWSA-N 2 1 293.386 2.086 20 0 CEADMP Brc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CC2 ZINC000335057484 273475866 /nfs/dbraw/zinc/47/58/66/273475866.db2.gz HAZYTZDKNJCDRB-NWDGAFQWSA-N 2 1 295.224 2.258 20 0 CEADMP C([NH2+][C@@H]1CCC12CCCC2)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365059889 275394960 /nfs/dbraw/zinc/39/49/60/275394960.db2.gz BUNWMTRCQNYNQZ-QLFBSQMISA-N 2 1 264.413 2.162 20 0 CEADMP C([NH2+][C@@H]1CCC12CCCC2)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365059889 275394961 /nfs/dbraw/zinc/39/49/61/275394961.db2.gz BUNWMTRCQNYNQZ-QLFBSQMISA-N 2 1 264.413 2.162 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000347193555 276096174 /nfs/dbraw/zinc/09/61/74/276096174.db2.gz WPHGYJDTLSAENW-AWEZNQCLSA-N 2 1 256.434 2.344 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(O)CCCCC2)[C@H](C)C1 ZINC000304317578 276228463 /nfs/dbraw/zinc/22/84/63/276228463.db2.gz OTSUISQOVGUWSX-KGLIPLIRSA-N 2 1 254.418 2.002 20 0 CEADMP CC[NH+](CC)CCN1CCC[N@H+](C2CCCC2)CC1 ZINC000179291194 276326269 /nfs/dbraw/zinc/32/62/69/276326269.db2.gz GXRJCAPQNYCQAX-UHFFFAOYSA-N 2 1 267.461 2.279 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C12CCCC2 ZINC000085679039 276490229 /nfs/dbraw/zinc/49/02/29/276490229.db2.gz MSHWIXAXYDGPKP-GJZGRUSLSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000226344948 277025473 /nfs/dbraw/zinc/02/54/73/277025473.db2.gz FMLLEGAADIVWLS-HZPDHXFCSA-N 2 1 273.424 2.453 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]2OCCC[C@H]2C1 ZINC000366401847 277044677 /nfs/dbraw/zinc/04/46/77/277044677.db2.gz OONAJROHVJCRFI-ARFHVFGLSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]2OCCC[C@H]2C1 ZINC000366401847 277044678 /nfs/dbraw/zinc/04/46/78/277044678.db2.gz OONAJROHVJCRFI-ARFHVFGLSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000366401847 277044679 /nfs/dbraw/zinc/04/46/79/277044679.db2.gz OONAJROHVJCRFI-ARFHVFGLSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000366401847 277044681 /nfs/dbraw/zinc/04/46/81/277044681.db2.gz OONAJROHVJCRFI-ARFHVFGLSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCC=CO3)CC[C@H]21 ZINC000248872447 277068796 /nfs/dbraw/zinc/06/87/96/277068796.db2.gz IEIKQIVUCKPCNS-RBSFLKMASA-N 2 1 250.386 2.095 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCC=CO3)CC[C@H]21 ZINC000248872447 277068797 /nfs/dbraw/zinc/06/87/97/277068797.db2.gz IEIKQIVUCKPCNS-RBSFLKMASA-N 2 1 250.386 2.095 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCC=CO3)CC[C@H]21 ZINC000248872447 277068798 /nfs/dbraw/zinc/06/87/98/277068798.db2.gz IEIKQIVUCKPCNS-RBSFLKMASA-N 2 1 250.386 2.095 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1(C)C ZINC000338010212 277106703 /nfs/dbraw/zinc/10/67/03/277106703.db2.gz JAYIFUABRURPAF-HZPDHXFCSA-N 2 1 279.472 2.181 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)[C@H]2CCC[C@@H]21 ZINC000367638279 277171414 /nfs/dbraw/zinc/17/14/14/277171414.db2.gz OGRCUAVSDKDPEB-LTIDMASMSA-N 2 1 292.398 2.322 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000284207891 277330043 /nfs/dbraw/zinc/33/00/43/277330043.db2.gz AGEMQZIBVWNOOS-GOEBONIOSA-N 2 1 262.397 2.258 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000358182509 277332268 /nfs/dbraw/zinc/33/22/68/277332268.db2.gz CGEDRGNZCNCTII-DAXOMENPSA-N 2 1 280.387 2.443 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000181519151 277392347 /nfs/dbraw/zinc/39/23/47/277392347.db2.gz ZVVJVNDFIYAGOT-IKGGRYGDSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000181519151 277392348 /nfs/dbraw/zinc/39/23/48/277392348.db2.gz ZVVJVNDFIYAGOT-IKGGRYGDSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000181519151 277392349 /nfs/dbraw/zinc/39/23/49/277392349.db2.gz ZVVJVNDFIYAGOT-IKGGRYGDSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000181519151 277392350 /nfs/dbraw/zinc/39/23/50/277392350.db2.gz ZVVJVNDFIYAGOT-IKGGRYGDSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000181519151 277392351 /nfs/dbraw/zinc/39/23/51/277392351.db2.gz ZVVJVNDFIYAGOT-IKGGRYGDSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000181519151 277392352 /nfs/dbraw/zinc/39/23/52/277392352.db2.gz ZVVJVNDFIYAGOT-IKGGRYGDSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000181519151 277392353 /nfs/dbraw/zinc/39/23/53/277392353.db2.gz ZVVJVNDFIYAGOT-IKGGRYGDSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346825851 278167327 /nfs/dbraw/zinc/16/73/27/278167327.db2.gz GWVQQDBHHKQYJH-BSWAZPDLSA-N 2 1 280.456 2.498 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H]2CCCCO2)C1 ZINC000347467307 279039642 /nfs/dbraw/zinc/03/96/42/279039642.db2.gz QQVQYBKIBWBHPL-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000347467307 279039643 /nfs/dbraw/zinc/03/96/43/279039643.db2.gz QQVQYBKIBWBHPL-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000347467307 279039646 /nfs/dbraw/zinc/03/96/46/279039646.db2.gz QQVQYBKIBWBHPL-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000359885363 279109811 /nfs/dbraw/zinc/10/98/11/279109811.db2.gz KAUDABQJAMULOT-CVEARBPZSA-N 2 1 298.471 2.377 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000359885372 279109854 /nfs/dbraw/zinc/10/98/54/279109854.db2.gz KAUDABQJAMULOT-HZPDHXFCSA-N 2 1 298.471 2.377 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000159963146 288106898 /nfs/dbraw/zinc/10/68/98/288106898.db2.gz BUNGYCTUBVKECM-AAVRWANBSA-N 2 1 254.418 2.262 20 0 CEADMP CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000062347722 279144964 /nfs/dbraw/zinc/14/49/64/279144964.db2.gz BQCFJGQTEFDAQS-GOEBONIOSA-N 2 1 291.439 2.136 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000261570178 279367483 /nfs/dbraw/zinc/36/74/83/279367483.db2.gz OBSVTKJQMKLIKK-ILXRZTDVSA-N 2 1 267.461 2.370 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000261570178 279367485 /nfs/dbraw/zinc/36/74/85/279367485.db2.gz OBSVTKJQMKLIKK-ILXRZTDVSA-N 2 1 267.461 2.370 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000359209773 279397773 /nfs/dbraw/zinc/39/77/73/279397773.db2.gz LGRINMLRSXYYDG-GDBMZVCRSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000359209773 279397774 /nfs/dbraw/zinc/39/77/74/279397774.db2.gz LGRINMLRSXYYDG-GDBMZVCRSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000359209773 279397775 /nfs/dbraw/zinc/39/77/75/279397775.db2.gz LGRINMLRSXYYDG-GDBMZVCRSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000359209773 279397776 /nfs/dbraw/zinc/39/77/76/279397776.db2.gz LGRINMLRSXYYDG-GDBMZVCRSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000359209773 279397777 /nfs/dbraw/zinc/39/77/77/279397777.db2.gz LGRINMLRSXYYDG-GDBMZVCRSA-N 2 1 267.461 2.038 20 0 CEADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000334179791 279423298 /nfs/dbraw/zinc/42/32/98/279423298.db2.gz BKAWERWQKGVIRF-HIFRSBDPSA-N 2 1 276.428 2.130 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000334230901 288131984 /nfs/dbraw/zinc/13/19/84/288131984.db2.gz KOCDLTHLMIHWAP-IUODEOHRSA-N 2 1 279.472 2.368 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000334230901 288131985 /nfs/dbraw/zinc/13/19/85/288131985.db2.gz KOCDLTHLMIHWAP-IUODEOHRSA-N 2 1 279.472 2.368 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)C1C[NH2+]C1 ZINC000335022352 279517392 /nfs/dbraw/zinc/51/73/92/279517392.db2.gz DBHFBBBDBGSWSA-TVQRCGJNSA-N 2 1 266.772 2.361 20 0 CEADMP CCOc1ncccc1CN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000151186546 280090638 /nfs/dbraw/zinc/09/06/38/280090638.db2.gz NYFCSTAXCXSHQN-UKRRQHHQSA-N 2 1 277.412 2.300 20 0 CEADMP CC[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)OC ZINC000412980117 280139834 /nfs/dbraw/zinc/13/98/34/280139834.db2.gz WDVYHIRYTQGXTQ-HNNXBMFYSA-N 2 1 254.418 2.362 20 0 CEADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000236917124 280225157 /nfs/dbraw/zinc/22/51/57/280225157.db2.gz QFFOAALDXZUMOY-BARDWOONSA-N 2 1 297.487 2.233 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1(C)C ZINC000245956943 280268449 /nfs/dbraw/zinc/26/84/49/280268449.db2.gz XLBJRTWJDLHLTH-HRCADAONSA-N 2 1 298.471 2.017 20 0 CEADMP CC[C@H](CN[C@@H]1CC[N@@H+](CC)C[C@H]1C)[NH+]1CCCC1 ZINC000246963253 280316057 /nfs/dbraw/zinc/31/60/57/280316057.db2.gz ISGOHRILDAQVSB-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H](C1CC1)[NH+](C)CCOCC[N@H+](C)[C@H](C)C1CC1 ZINC000247134192 280321492 /nfs/dbraw/zinc/32/14/92/280321492.db2.gz SMYYYBVKDGWYDC-ZIAGYGMSSA-N 2 1 268.445 2.464 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000248031200 280342028 /nfs/dbraw/zinc/34/20/28/280342028.db2.gz QKZBYQDYRVSDDQ-YOEHRIQHSA-N 2 1 292.423 2.394 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnn2C)C1 ZINC000249036102 280380244 /nfs/dbraw/zinc/38/02/44/280380244.db2.gz SNOZEJBEZQAXEC-CABCVRRESA-N 2 1 278.444 2.439 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnn2C)C1 ZINC000249036102 280380247 /nfs/dbraw/zinc/38/02/47/280380247.db2.gz SNOZEJBEZQAXEC-CABCVRRESA-N 2 1 278.444 2.439 20 0 CEADMP Cc1ccc(C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)C)cc1 ZINC000305144969 280838464 /nfs/dbraw/zinc/83/84/64/280838464.db2.gz RLHFOCNAPVGBSH-SJORKVTESA-N 2 1 278.440 2.074 20 0 CEADMP CCOc1c(OC)cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000422838501 280932021 /nfs/dbraw/zinc/93/20/21/280932021.db2.gz OPLYGVQFGOLBJF-STQMWFEESA-N 2 1 294.395 2.072 20 0 CEADMP CC(C)CSCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423008663 280990044 /nfs/dbraw/zinc/99/00/44/280990044.db2.gz AWJTWEIEFWFLAU-RBSFLKMASA-N 2 1 286.485 2.122 20 0 CEADMP CCC(CC)(C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(=O)OC ZINC000423031445 281001737 /nfs/dbraw/zinc/00/17/37/281001737.db2.gz DJBXNYOSVVNXSL-QWHCGFSZSA-N 2 1 270.417 2.086 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423031499 281001771 /nfs/dbraw/zinc/00/17/71/281001771.db2.gz LCMUGUZBHJEWBL-ZFWWWQNUSA-N 2 1 284.407 2.268 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000423382628 281026909 /nfs/dbraw/zinc/02/69/09/281026909.db2.gz DNZZZAQGTIIPEH-UFBFGSQYSA-N 2 1 269.186 2.373 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423383014 281026965 /nfs/dbraw/zinc/02/69/65/281026965.db2.gz JBPNFZKYMVFCMI-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2[NH2+]CCCC2(C)C)[C@@H]2CCC[C@@H]21 ZINC000423401468 281028188 /nfs/dbraw/zinc/02/81/88/281028188.db2.gz XQICITRWGJJNAT-VGWMRTNUSA-N 2 1 279.472 2.227 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423417585 281035925 /nfs/dbraw/zinc/03/59/25/281035925.db2.gz HAPXPZWLAJXHGP-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000423425038 281037731 /nfs/dbraw/zinc/03/77/31/281037731.db2.gz MEYKCBQYOAISBU-HEHGZKQESA-N 2 1 287.407 2.015 20 0 CEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(Br)c1 ZINC000423435102 281040533 /nfs/dbraw/zinc/04/05/33/281040533.db2.gz OSJMZLNNIGMGSJ-KMLBCRHOSA-N 2 1 281.197 2.318 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000423438400 281042593 /nfs/dbraw/zinc/04/25/93/281042593.db2.gz VDKGRBCMOXYZOF-HUBLWGQQSA-N 2 1 287.407 2.061 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCCOC)cc1 ZINC000423465740 281048885 /nfs/dbraw/zinc/04/88/85/281048885.db2.gz NBIQHGYKRKHIHY-GXTWGEPZSA-N 2 1 266.385 2.100 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000423468536 281050227 /nfs/dbraw/zinc/05/02/27/281050227.db2.gz OLSZJSNNHOAWLA-ZYHUDNBSSA-N 2 1 252.358 2.092 20 0 CEADMP C1CC([C@H]2CC[C@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000423512886 281057899 /nfs/dbraw/zinc/05/78/99/281057899.db2.gz QPOKINLONHCWIC-OPQOLIRYSA-N 2 1 291.483 2.371 20 0 CEADMP CN(C[C@H](C[NH3+])c1ccc(F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000424277991 281143192 /nfs/dbraw/zinc/14/31/92/281143192.db2.gz COEKNCLWRWIPTJ-HOCLYGCPSA-N 2 1 293.430 2.142 20 0 CEADMP [NH3+]C1(c2noc([C@@H]3CCCc4[nH+]ccn43)n2)CCCCC1 ZINC000424348253 281151557 /nfs/dbraw/zinc/15/15/57/281151557.db2.gz UACKMFYHHUCDRF-NSHDSACASA-N 2 1 287.367 2.310 20 0 CEADMP COc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1O ZINC000424389021 281155690 /nfs/dbraw/zinc/15/56/90/281155690.db2.gz ZVJNUXRJJYCCTP-CYBMUJFWSA-N 2 1 290.407 2.365 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cocn1 ZINC000428876914 281205618 /nfs/dbraw/zinc/20/56/18/281205618.db2.gz QDJYFTQQQYISHN-ZDUSSCGKSA-N 2 1 251.374 2.419 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cocn1 ZINC000428876914 281205620 /nfs/dbraw/zinc/20/56/20/281205620.db2.gz QDJYFTQQQYISHN-ZDUSSCGKSA-N 2 1 251.374 2.419 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430620683 281270403 /nfs/dbraw/zinc/27/04/03/281270403.db2.gz CNRGCTPTRYWLKN-LBPRGKRZSA-N 2 1 295.814 2.339 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1nc2ccccc2n1C ZINC000430642936 281272815 /nfs/dbraw/zinc/27/28/15/281272815.db2.gz VZJSVQATAFZHHR-UKRRQHHQSA-N 2 1 286.423 2.318 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1nc2ccccc2n1C ZINC000430642936 281272816 /nfs/dbraw/zinc/27/28/16/281272816.db2.gz VZJSVQATAFZHHR-UKRRQHHQSA-N 2 1 286.423 2.318 20 0 CEADMP C[N@@H+](CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])C1CCCC1 ZINC000430708324 281274784 /nfs/dbraw/zinc/27/47/84/281274784.db2.gz ITWHIMJLWZAARO-HZPDHXFCSA-N 2 1 295.471 2.275 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000430930076 281282057 /nfs/dbraw/zinc/28/20/57/281282057.db2.gz ROBOYVVYPJNWFK-BBRMVZONSA-N 2 1 262.397 2.297 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430936206 281282899 /nfs/dbraw/zinc/28/28/99/281282899.db2.gz XXFSJEDYRCLLIW-CQSZACIVSA-N 2 1 297.402 2.449 20 0 CEADMP C[NH2+]CC1CC[NH+]([C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000430937052 281283287 /nfs/dbraw/zinc/28/32/87/281283287.db2.gz YUQZSBQSNDMHPJ-AWEZNQCLSA-N 2 1 299.422 2.260 20 0 CEADMP CCn1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1=O ZINC000433088705 281364017 /nfs/dbraw/zinc/36/40/17/281364017.db2.gz MNAJFQPHGSWAAD-UHFFFAOYSA-N 2 1 291.439 2.221 20 0 CEADMP C[NH2+]CCC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000435869545 281399574 /nfs/dbraw/zinc/39/95/74/281399574.db2.gz CFVQQVKRBQIBQQ-UHFFFAOYSA-N 2 1 260.381 2.191 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000357148979 282016352 /nfs/dbraw/zinc/01/63/52/282016352.db2.gz OTHDNQXQJXZPQQ-KFWWJZLASA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+](C)C1(C[NH2+]C2CCC3(CCCO3)CC2)CCOCC1 ZINC000376413021 289057929 /nfs/dbraw/zinc/05/79/29/289057929.db2.gz HNXBODLEWSURRU-UHFFFAOYSA-N 2 1 296.455 2.179 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000304541459 289208918 /nfs/dbraw/zinc/20/89/18/289208918.db2.gz RHCYOKGSHAXXJT-JXQTWKCFSA-N 2 1 256.434 2.103 20 0 CEADMP Cn1cncc1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000401773784 289288530 /nfs/dbraw/zinc/28/85/30/289288530.db2.gz LGTVAMBSUMXBRA-UHFFFAOYSA-N 2 1 298.434 2.217 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(=O)N(C)C ZINC000357845281 289940075 /nfs/dbraw/zinc/94/00/75/289940075.db2.gz HFFGMAGIUPXSCE-DZKIICNBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000459408996 290139720 /nfs/dbraw/zinc/13/97/20/290139720.db2.gz NPJWLVQVKXXCRX-CABCVRRESA-N 2 1 265.401 2.146 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCO1 ZINC000459442975 290150741 /nfs/dbraw/zinc/15/07/41/290150741.db2.gz ATURNEFITZMEJY-CABCVRRESA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1OCCc2sccc21 ZINC000459491959 290163161 /nfs/dbraw/zinc/16/31/61/290163161.db2.gz NAPFBQJPNIZJOE-IAQYHMDHSA-N 2 1 291.420 2.316 20 0 CEADMP C[C@@H]1CC(C[NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000459547256 290175748 /nfs/dbraw/zinc/17/57/48/290175748.db2.gz VSICLNVDVDKOPB-CHWSQXEVSA-N 2 1 266.429 2.406 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000459559135 290179421 /nfs/dbraw/zinc/17/94/21/290179421.db2.gz HNUSSBXAVLLYTP-AWEZNQCLSA-N 2 1 267.461 2.323 20 0 CEADMP CO[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000459564769 290181298 /nfs/dbraw/zinc/18/12/98/290181298.db2.gz IYLXTVXMGDUJJN-SFHVURJKSA-N 2 1 288.435 2.461 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459664995 290206682 /nfs/dbraw/zinc/20/66/82/290206682.db2.gz BLGGSPZHOQFTPS-BZUAXINKSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459664995 290206685 /nfs/dbraw/zinc/20/66/85/290206685.db2.gz BLGGSPZHOQFTPS-BZUAXINKSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459664995 290206689 /nfs/dbraw/zinc/20/66/89/290206689.db2.gz BLGGSPZHOQFTPS-BZUAXINKSA-N 2 1 278.440 2.362 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCC2)[C@@H]2CCC[C@@H]21 ZINC000353630928 290216490 /nfs/dbraw/zinc/21/64/90/290216490.db2.gz JPZXEJUFMCYGGW-KKUMJFAQSA-N 2 1 266.429 2.002 20 0 CEADMP CC(C)n1nccc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459732436 290220914 /nfs/dbraw/zinc/22/09/14/290220914.db2.gz FYCLDGNRCMSFAN-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP Cc1cccc2ncc(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)n21 ZINC000459734996 290221408 /nfs/dbraw/zinc/22/14/08/290221408.db2.gz PGWRTSMWXBEQFF-HNNXBMFYSA-N 2 1 286.423 2.464 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459766728 290232414 /nfs/dbraw/zinc/23/24/14/290232414.db2.gz MGLVXIUZHYFTII-GJZGRUSLSA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459766728 290232416 /nfs/dbraw/zinc/23/24/16/290232416.db2.gz MGLVXIUZHYFTII-GJZGRUSLSA-N 2 1 266.429 2.219 20 0 CEADMP COC1(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCCC1 ZINC000459797976 290243935 /nfs/dbraw/zinc/24/39/35/290243935.db2.gz XHRVQQJJXDJZQI-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H]1CCSC1 ZINC000487269705 290338902 /nfs/dbraw/zinc/33/89/02/290338902.db2.gz SVSJRYWZEGUXCC-YPMHNXCESA-N 2 1 253.415 2.170 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000236194586 295237821 /nfs/dbraw/zinc/23/78/21/295237821.db2.gz WOPBAXYKNZBONF-XJKSGUPXSA-N 2 1 287.407 2.001 20 0 CEADMP COC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(C)o1 ZINC000521463143 297645437 /nfs/dbraw/zinc/64/54/37/297645437.db2.gz ZZRWRZWTJSKJPE-AVGNSLFASA-N 2 1 252.358 2.135 20 0 CEADMP COC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000530215529 298052683 /nfs/dbraw/zinc/05/26/83/298052683.db2.gz HBKFAQXMLZTKOI-ZIAGYGMSSA-N 2 1 252.402 2.066 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000530220615 298055283 /nfs/dbraw/zinc/05/52/83/298055283.db2.gz BFIXGQMKPMRYJL-APHBMKBZSA-N 2 1 280.387 2.195 20 0 CEADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000530407437 298069145 /nfs/dbraw/zinc/06/91/45/298069145.db2.gz HZBLWDTZHIMLTB-GFCCVEGCSA-N 2 1 286.379 2.272 20 0 CEADMP COc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1OC ZINC000531699728 298116322 /nfs/dbraw/zinc/11/63/22/298116322.db2.gz DXTYKXYACHGPRL-HIFRSBDPSA-N 2 1 292.423 2.176 20 0 CEADMP C[C@@H]1C[C@@H](C)[NH+](CC2(C[N@H+]3C[C@H](C)C[C@@H]3C)COC2)C1 ZINC000543860176 298312443 /nfs/dbraw/zinc/31/24/43/298312443.db2.gz RVPONRJOZQZGHG-FPCVCCKLSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](CC2(C[NH+]3C[C@H](C)C[C@@H]3C)COC2)C1 ZINC000543860176 298312448 /nfs/dbraw/zinc/31/24/48/298312448.db2.gz RVPONRJOZQZGHG-FPCVCCKLSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2(C[NH+]3C[C@H](C)C[C@@H]3C)COC2)C1 ZINC000543860176 298312450 /nfs/dbraw/zinc/31/24/50/298312450.db2.gz RVPONRJOZQZGHG-FPCVCCKLSA-N 2 1 280.456 2.464 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000565906097 298931870 /nfs/dbraw/zinc/93/18/70/298931870.db2.gz WVNWYJDMRKIFFQ-MJBXVCDLSA-N 2 1 262.401 2.308 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC000566474010 298991320 /nfs/dbraw/zinc/99/13/20/298991320.db2.gz CURQVLHVUQYCGP-AWEZNQCLSA-N 2 1 268.445 2.392 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000567314934 299051259 /nfs/dbraw/zinc/05/12/59/299051259.db2.gz DXORYKNOOBIYGK-BZUAXINKSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nccn1Cc1ccccc1 ZINC000567343940 299054738 /nfs/dbraw/zinc/05/47/38/299054738.db2.gz BDDVSQHQHPZHBK-ZIAGYGMSSA-N 2 1 272.396 2.147 20 0 CEADMP CCn1nc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c2ccccc21 ZINC000567352665 299056096 /nfs/dbraw/zinc/05/60/96/299056096.db2.gz KDSTZFRKHOZGKC-NEPJUHHUSA-N 2 1 260.385 2.272 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000514870440 313060522 /nfs/dbraw/zinc/06/05/22/313060522.db2.gz KLPIPFQWUGEVBO-NJAFHUGGSA-N 2 1 290.451 2.425 20 0 CEADMP Cc1ccc2ncc(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)n2c1 ZINC000515556276 313071994 /nfs/dbraw/zinc/07/19/94/313071994.db2.gz IWRXAISBBMSNBW-OAHLLOKOSA-N 2 1 286.423 2.463 20 0 CEADMP Cc1ccc2ncc(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)n2c1 ZINC000515556276 313071996 /nfs/dbraw/zinc/07/19/96/313071996.db2.gz IWRXAISBBMSNBW-OAHLLOKOSA-N 2 1 286.423 2.463 20 0 CEADMP CCO[C@H]1C[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000515725851 313076299 /nfs/dbraw/zinc/07/62/99/313076299.db2.gz XXEVBBBDXYWUOJ-ROUUACIJSA-N 2 1 288.435 2.461 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000516272754 313086303 /nfs/dbraw/zinc/08/63/03/313086303.db2.gz GBTBOHRCTRWBCZ-BMFZPTHFSA-N 2 1 287.407 2.042 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc(N2CCOCC2)c1 ZINC000516450800 313089800 /nfs/dbraw/zinc/08/98/00/313089800.db2.gz LFSBPVLUGXGSJF-CQSZACIVSA-N 2 1 289.423 2.055 20 0 CEADMP CCc1ccc(C(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)CC)cc1 ZINC000517584713 313112250 /nfs/dbraw/zinc/11/22/50/313112250.db2.gz VZZRISNUONDQOC-MRXNPFEDSA-N 2 1 278.440 2.386 20 0 CEADMP CCc1ccc(C(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)CC)cc1 ZINC000517584713 313112254 /nfs/dbraw/zinc/11/22/54/313112254.db2.gz VZZRISNUONDQOC-MRXNPFEDSA-N 2 1 278.440 2.386 20 0 CEADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccn1 ZINC000527540473 313183583 /nfs/dbraw/zinc/18/35/83/313183583.db2.gz YTNUGAKQEDZLNI-BRWVUGGUSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccn1 ZINC000527540473 313183587 /nfs/dbraw/zinc/18/35/87/313183587.db2.gz YTNUGAKQEDZLNI-BRWVUGGUSA-N 2 1 289.423 2.074 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000527644272 313190354 /nfs/dbraw/zinc/19/03/54/313190354.db2.gz DPDSSPNOKACABU-KCXAZCMYSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1COC1 ZINC000528025877 313227790 /nfs/dbraw/zinc/22/77/90/313227790.db2.gz PDJGHDBNEOEAII-PBHICJAKSA-N 2 1 274.408 2.133 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000530227232 313285940 /nfs/dbraw/zinc/28/59/40/313285940.db2.gz WHRRHYGEWHVWLT-YSVLISHTSA-N 2 1 294.414 2.300 20 0 CEADMP CCc1cc(NCC[C@H](C)[NH+]2CCCCC2)nc(C)[nH+]1 ZINC000542267957 313442038 /nfs/dbraw/zinc/44/20/38/313442038.db2.gz IAYXAVLLVXDLGL-ZDUSSCGKSA-N 2 1 276.428 2.446 20 0 CEADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccn(C)n1 ZINC000543594009 313457817 /nfs/dbraw/zinc/45/78/17/313457817.db2.gz FPQGKURVPABYFY-AWEZNQCLSA-N 2 1 275.400 2.446 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)c1cc(C(=O)OC)cs1 ZINC000566088125 313848046 /nfs/dbraw/zinc/84/80/46/313848046.db2.gz BHARHLJEFMYRBQ-SNVBAGLBSA-N 2 1 270.398 2.185 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000570838789 314061625 /nfs/dbraw/zinc/06/16/25/314061625.db2.gz CCXBWSYCGJXPNH-ZIAGYGMSSA-N 2 1 289.423 2.120 20 0 CEADMP CCC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC[NH2+]CC1 ZINC000571453677 314090889 /nfs/dbraw/zinc/09/08/89/314090889.db2.gz YIPQVPVGPGOESZ-UHFFFAOYSA-N 3 1 287.451 2.296 20 0 CEADMP CO[C@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000571844644 314107664 /nfs/dbraw/zinc/10/76/64/314107664.db2.gz LTOLYGAOJOOFCF-ILXRZTDVSA-N 2 1 254.418 2.408 20 0 CEADMP COCCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000573016422 314136543 /nfs/dbraw/zinc/13/65/43/314136543.db2.gz RCIXPAQBBIWXAY-UKRRQHHQSA-N 2 1 278.396 2.023 20 0 CEADMP COCCOc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000573016421 314136762 /nfs/dbraw/zinc/13/67/62/314136762.db2.gz RCIXPAQBBIWXAY-HIFRSBDPSA-N 2 1 278.396 2.023 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000573383063 314154344 /nfs/dbraw/zinc/15/43/44/314154344.db2.gz GIBXHBIWEAKURA-YPMHNXCESA-N 2 1 295.814 2.480 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000575746494 314219249 /nfs/dbraw/zinc/21/92/49/314219249.db2.gz ZURUKFQMJVVBDZ-UONOGXRCSA-N 2 1 298.475 2.066 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000576049617 314236505 /nfs/dbraw/zinc/23/65/05/314236505.db2.gz GAHALROVCGXYLL-JKSUJKDBSA-N 2 1 282.403 2.425 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000576049617 314236506 /nfs/dbraw/zinc/23/65/06/314236506.db2.gz GAHALROVCGXYLL-JKSUJKDBSA-N 2 1 282.403 2.425 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000576576571 314289604 /nfs/dbraw/zinc/28/96/04/314289604.db2.gz GWKXLWPQEMXTND-WBVHZDCISA-N 2 1 276.424 2.052 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000576576571 314289606 /nfs/dbraw/zinc/28/96/06/314289606.db2.gz GWKXLWPQEMXTND-WBVHZDCISA-N 2 1 276.424 2.052 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000576988274 314330009 /nfs/dbraw/zinc/33/00/09/314330009.db2.gz QDSBZLYLEBRMKD-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000577188449 314351011 /nfs/dbraw/zinc/35/10/11/314351011.db2.gz FYOUPIQLXBYWDG-CABCVRRESA-N 2 1 293.411 2.064 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000577608552 314395302 /nfs/dbraw/zinc/39/53/02/314395302.db2.gz KNYFXUCNAPMYII-KGLIPLIRSA-N 2 1 289.427 2.031 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCOC2(CCCCC2)C1 ZINC000581259045 322382383 /nfs/dbraw/zinc/38/23/83/322382383.db2.gz WKIJEXYWQPFXBK-UHFFFAOYSA-N 2 1 277.412 2.388 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCOC2(CCCCC2)C1 ZINC000581259045 322382385 /nfs/dbraw/zinc/38/23/85/322382385.db2.gz WKIJEXYWQPFXBK-UHFFFAOYSA-N 2 1 277.412 2.388 20 0 CEADMP CC[NH2+]CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000581363990 322390408 /nfs/dbraw/zinc/39/04/08/322390408.db2.gz DYAVSMDIONESFZ-AEFFLSMTSA-N 2 1 289.467 2.486 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000581363990 322390410 /nfs/dbraw/zinc/39/04/10/322390410.db2.gz DYAVSMDIONESFZ-AEFFLSMTSA-N 3 1 289.467 2.486 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000581363990 322390414 /nfs/dbraw/zinc/39/04/14/322390414.db2.gz DYAVSMDIONESFZ-AEFFLSMTSA-N 3 1 289.467 2.486 20 0 CEADMP C[C@@]1(C[NH2+]Cc2cccc(F)c2F)CCC[NH2+]C1 ZINC000582832953 322506364 /nfs/dbraw/zinc/50/63/64/322506364.db2.gz ITONNYUNAAPBJR-CQSZACIVSA-N 2 1 254.324 2.444 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000584047310 326906339 /nfs/dbraw/zinc/90/63/39/326906339.db2.gz JRYMNRKMNVDJSJ-CVEARBPZSA-N 2 1 287.407 2.173 20 0 CEADMP CC[C@H]1C[N@@H+](C)CCN1CC[NH+](C)Cc1ccccc1 ZINC000584169126 327055476 /nfs/dbraw/zinc/05/54/76/327055476.db2.gz TWIIQNAOIYHEKI-KRWDZBQOSA-N 2 1 275.440 2.144 20 0 CEADMP CC[C@H]1C[NH+](C)CCN1CC[N@H+](C)Cc1ccccc1 ZINC000584169126 327055477 /nfs/dbraw/zinc/05/54/77/327055477.db2.gz TWIIQNAOIYHEKI-KRWDZBQOSA-N 2 1 275.440 2.144 20 0 CEADMP CC[C@H]1C[NH+](C)CCN1CC[N@@H+](C)Cc1ccccc1 ZINC000584169126 327055479 /nfs/dbraw/zinc/05/54/79/327055479.db2.gz TWIIQNAOIYHEKI-KRWDZBQOSA-N 2 1 275.440 2.144 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000584285557 327218030 /nfs/dbraw/zinc/21/80/30/327218030.db2.gz HQVZPBITKRZSHJ-GFCCVEGCSA-N 2 1 252.406 2.423 20 0 CEADMP CC1=CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000560478518 327312977 /nfs/dbraw/zinc/31/29/77/327312977.db2.gz TVYQCJINOVUDHB-HZPDHXFCSA-N 2 1 266.429 2.312 20 0 CEADMP C[C@H](CCC1CC1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415053781 533824656 /nfs/dbraw/zinc/82/46/56/533824656.db2.gz MVXLUYBNPHHNLU-ODIFPOPNSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@H](CCCC[NH3+])NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000417539586 533839413 /nfs/dbraw/zinc/83/94/13/533839413.db2.gz VUHRFIPBSZDBJO-KFWWJZLASA-N 2 1 298.475 2.066 20 0 CEADMP C[C@H]([NH2+]CCCCO)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518831 533844717 /nfs/dbraw/zinc/84/47/17/533844717.db2.gz QLEGKTHNDKJEPQ-KBPBESRZSA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)[C@H](C[NH2+]CC1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000054240458 519816044 /nfs/dbraw/zinc/81/60/44/519816044.db2.gz LOOXMSGQTUBPBP-INIZCTEOSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH2+]CCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000151377907 519922449 /nfs/dbraw/zinc/92/24/49/519922449.db2.gz XDDYJKVZQUBAPQ-UHFFFAOYSA-N 2 1 291.439 2.256 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCCCCn2cccn2)CC1 ZINC000157440706 521559773 /nfs/dbraw/zinc/55/97/73/521559773.db2.gz APDQQOASKGGNOC-UHFFFAOYSA-N 2 1 278.444 2.470 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCCCCn2cccn2)CC1 ZINC000157440706 521559783 /nfs/dbraw/zinc/55/97/83/521559783.db2.gz APDQQOASKGGNOC-UHFFFAOYSA-N 2 1 278.444 2.470 20 0 CEADMP CC[N@H+]1CCC[C@H](Nc2cc[nH+]cc2-c2cccnc2)C1 ZINC000367723314 521643342 /nfs/dbraw/zinc/64/33/42/521643342.db2.gz YGYIOJQLDMHGEG-HNNXBMFYSA-N 2 1 282.391 2.462 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000278648524 522313264 /nfs/dbraw/zinc/31/32/64/522313264.db2.gz MDKOGTNYVQHLQS-UHFFFAOYSA-N 2 1 289.423 2.180 20 0 CEADMP CCn1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cn1 ZINC000363429588 523380271 /nfs/dbraw/zinc/38/02/71/523380271.db2.gz OLCYTOMNCFLMKQ-UHFFFAOYSA-N 2 1 276.428 2.400 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000367554973 523987677 /nfs/dbraw/zinc/98/76/77/523987677.db2.gz VQVCIGLZUHMQSP-XIRDDKMYSA-N 2 1 292.398 2.280 20 0 CEADMP C[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000163825151 524505978 /nfs/dbraw/zinc/50/59/78/524505978.db2.gz BIKGQGAKEYXLMD-OLZOCXBDSA-N 2 1 266.360 2.121 20 0 CEADMP c1cnn([C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000365834274 526558986 /nfs/dbraw/zinc/55/89/86/526558986.db2.gz CKOSAFWPTVELSP-HNNXBMFYSA-N 2 1 262.401 2.006 20 0 CEADMP c1cnn([C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000365834274 526558988 /nfs/dbraw/zinc/55/89/88/526558988.db2.gz CKOSAFWPTVELSP-HNNXBMFYSA-N 2 1 262.401 2.006 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)[C@@H](C)C1 ZINC000414279068 527880346 /nfs/dbraw/zinc/88/03/46/527880346.db2.gz IRZTWPFCCWKYLS-YTFOTSKYSA-N 2 1 254.418 2.120 20 0 CEADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1 ZINC000411170578 528094866 /nfs/dbraw/zinc/09/48/66/528094866.db2.gz BDOMLLJZMZXNIG-GFCCVEGCSA-N 2 1 279.432 2.228 20 0 CEADMP CCC[N@@H+](CCOCC[NH3+])Cc1ccc(F)cc1 ZINC000357105874 528100789 /nfs/dbraw/zinc/10/07/89/528100789.db2.gz OFPWCLSDKRKSIY-UHFFFAOYSA-N 2 1 254.349 2.013 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000357149765 528209815 /nfs/dbraw/zinc/20/98/15/528209815.db2.gz BCRSMPIVDUHSSM-HOTGVXAUSA-N 2 1 295.471 2.286 20 0 CEADMP CC(C)Cc1noc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000357068172 528680061 /nfs/dbraw/zinc/68/00/61/528680061.db2.gz DKNCOMDEDYGIDI-CQSZACIVSA-N 2 1 292.427 2.090 20 0 CEADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CCOCC[NH3+] ZINC000357105960 529256593 /nfs/dbraw/zinc/25/65/93/529256593.db2.gz PGCFNEXVYMLJPU-HNNXBMFYSA-N 2 1 250.386 2.435 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000732272686 574616716 /nfs/dbraw/zinc/61/67/16/574616716.db2.gz MKKFWEDBTZIDJB-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000732272686 574616719 /nfs/dbraw/zinc/61/67/19/574616719.db2.gz MKKFWEDBTZIDJB-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000732272686 574616722 /nfs/dbraw/zinc/61/67/22/574616722.db2.gz MKKFWEDBTZIDJB-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](C)CCOC1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000732666884 574625569 /nfs/dbraw/zinc/62/55/69/574625569.db2.gz FYMANDCSXDMZJI-UHFFFAOYSA-N 2 1 297.830 2.278 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000733614230 574683000 /nfs/dbraw/zinc/68/30/00/574683000.db2.gz GKSCCDPYUKYWAU-NXEZZACHSA-N 2 1 251.201 2.064 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000733614230 574683002 /nfs/dbraw/zinc/68/30/02/574683002.db2.gz GKSCCDPYUKYWAU-NXEZZACHSA-N 2 1 251.201 2.064 20 0 CEADMP C[N@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000733614188 574683192 /nfs/dbraw/zinc/68/31/92/574683192.db2.gz CEPIGLFSIOFXEI-MRXNPFEDSA-N 2 1 296.842 2.271 20 0 CEADMP C[N@@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000733614188 574683193 /nfs/dbraw/zinc/68/31/93/574683193.db2.gz CEPIGLFSIOFXEI-MRXNPFEDSA-N 2 1 296.842 2.271 20 0 CEADMP C[N@@H+](C[C@H]1CC1(Cl)Cl)CC1CC[NH+](C)CC1 ZINC000738876477 574883223 /nfs/dbraw/zinc/88/32/23/574883223.db2.gz GPUJXXMTJJCJCS-LLVKDONJSA-N 2 1 265.228 2.454 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741723766 574995343 /nfs/dbraw/zinc/99/53/43/574995343.db2.gz HTYBSBPXBOFGSA-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741723766 574995345 /nfs/dbraw/zinc/99/53/45/574995345.db2.gz HTYBSBPXBOFGSA-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000741723766 574995347 /nfs/dbraw/zinc/99/53/47/574995347.db2.gz HTYBSBPXBOFGSA-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH+]1CCC[C@H]1C ZINC000744427163 575120988 /nfs/dbraw/zinc/12/09/88/575120988.db2.gz SVBVIPXBVPNNCE-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000744427163 575120989 /nfs/dbraw/zinc/12/09/89/575120989.db2.gz SVBVIPXBVPNNCE-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000744427163 575120990 /nfs/dbraw/zinc/12/09/90/575120990.db2.gz SVBVIPXBVPNNCE-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CC(C)[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000749176722 575208116 /nfs/dbraw/zinc/20/81/16/575208116.db2.gz NTUGZNFPCVLGJT-OAHLLOKOSA-N 2 1 254.418 2.096 20 0 CEADMP CC(C)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000749176722 575208118 /nfs/dbraw/zinc/20/81/18/575208118.db2.gz NTUGZNFPCVLGJT-OAHLLOKOSA-N 2 1 254.418 2.096 20 0 CEADMP CC(C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000974898967 614392117 /nfs/dbraw/zinc/39/21/17/614392117.db2.gz HNCKNNMIJWDMFK-CQSZACIVSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC)C1 ZINC000960098520 614666750 /nfs/dbraw/zinc/66/67/50/614666750.db2.gz DQZXJMGVHMOVDN-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842708 614755164 /nfs/dbraw/zinc/75/51/64/614755164.db2.gz NDGDQYPLEISDSU-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842708 614755166 /nfs/dbraw/zinc/75/51/66/614755166.db2.gz NDGDQYPLEISDSU-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842708 614755168 /nfs/dbraw/zinc/75/51/68/614755168.db2.gz NDGDQYPLEISDSU-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977660700 614780757 /nfs/dbraw/zinc/78/07/57/614780757.db2.gz ZUKSSYDIKSTHRJ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000977660700 614780758 /nfs/dbraw/zinc/78/07/58/614780758.db2.gz ZUKSSYDIKSTHRJ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977660700 614780759 /nfs/dbraw/zinc/78/07/59/614780759.db2.gz ZUKSSYDIKSTHRJ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000957286922 614981229 /nfs/dbraw/zinc/98/12/29/614981229.db2.gz NMSHFXHVJVYQIF-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000957286922 614981231 /nfs/dbraw/zinc/98/12/31/614981231.db2.gz NMSHFXHVJVYQIF-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc(F)cc1 ZINC000924524826 625293966 /nfs/dbraw/zinc/29/39/66/625293966.db2.gz LDUCNXNNUUHAHA-MZBDJJRSSA-N 2 1 262.372 2.298 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC001024009907 625289936 /nfs/dbraw/zinc/28/99/36/625289936.db2.gz AIXXIQSZFKSIEY-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)[C@H]1OC ZINC000892449079 625486892 /nfs/dbraw/zinc/48/68/92/625486892.db2.gz LNHBNWYMYNEKKF-KLHDSHLOSA-N 2 1 284.444 2.033 20 0 CEADMP CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024437088 625559787 /nfs/dbraw/zinc/55/97/87/625559787.db2.gz NMKCGQFIMRWQCI-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001024437088 625559792 /nfs/dbraw/zinc/55/97/92/625559792.db2.gz NMKCGQFIMRWQCI-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001024437088 625559797 /nfs/dbraw/zinc/55/97/97/625559797.db2.gz NMKCGQFIMRWQCI-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252710033 622562500 /nfs/dbraw/zinc/56/25/00/622562500.db2.gz FMSJPVIXAPMSEF-QPSCCSFWSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252710033 622562505 /nfs/dbraw/zinc/56/25/05/622562505.db2.gz FMSJPVIXAPMSEF-QPSCCSFWSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CCC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000844280840 623012598 /nfs/dbraw/zinc/01/25/98/623012598.db2.gz WUPAKTNMVQUGJY-ZYHUDNBSSA-N 2 1 295.254 2.005 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CCC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000844280840 623012604 /nfs/dbraw/zinc/01/26/04/623012604.db2.gz WUPAKTNMVQUGJY-ZYHUDNBSSA-N 2 1 295.254 2.005 20 0 CEADMP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000890879117 623034216 /nfs/dbraw/zinc/03/42/16/623034216.db2.gz OZOUWRHOYZBJNP-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890878463 623034660 /nfs/dbraw/zinc/03/46/60/623034660.db2.gz AREKDPJUHMNYHK-UHFFFAOYSA-N 2 1 294.443 2.053 20 0 CEADMP CCc1cnc(C[NH2+]Cc2ccc(CC[NH3+])cc2)s1 ZINC000234233212 623322709 /nfs/dbraw/zinc/32/27/09/623322709.db2.gz AQKWPMZJQNCFPK-UHFFFAOYSA-N 2 1 275.421 2.497 20 0 CEADMP Cc1ccc(-c2cc(C[N@@H+]3CC[C@@H](C[NH3+])C3)on2)cc1 ZINC000050248312 623373148 /nfs/dbraw/zinc/37/31/48/623373148.db2.gz KZJOFOFUCAIFIS-ZDUSSCGKSA-N 2 1 271.364 2.431 20 0 CEADMP Cc1ccc(-c2cc(C[N@H+]3CC[C@@H](C[NH3+])C3)on2)cc1 ZINC000050248312 623373152 /nfs/dbraw/zinc/37/31/52/623373152.db2.gz KZJOFOFUCAIFIS-ZDUSSCGKSA-N 2 1 271.364 2.431 20 0 CEADMP CCc1ccc(C)[nH+]c1N[C@H]1CC[N@H+](CCOC)C1 ZINC000668478152 623598347 /nfs/dbraw/zinc/59/83/47/623598347.db2.gz KPRVQXYNIOBDBD-AWEZNQCLSA-N 2 1 263.385 2.085 20 0 CEADMP CCc1ccc(C)[nH+]c1N[C@H]1CC[N@@H+](CCOC)C1 ZINC000668478152 623598357 /nfs/dbraw/zinc/59/83/57/623598357.db2.gz KPRVQXYNIOBDBD-AWEZNQCLSA-N 2 1 263.385 2.085 20 0 CEADMP Cc1cc(N)nc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)[nH+]1 ZINC000891501464 623748103 /nfs/dbraw/zinc/74/81/03/623748103.db2.gz MPVGXFZHYCJNTC-ZDUSSCGKSA-N 2 1 289.358 2.221 20 0 CEADMP CN(Cc1cn2ccnc2s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000891672200 623880848 /nfs/dbraw/zinc/88/08/48/623880848.db2.gz VCRIOPDYLZDIPE-GFCCVEGCSA-N 2 1 278.425 2.169 20 0 CEADMP C[C@@H]1CC2(CC([NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)C2)CO1 ZINC000926286267 624079748 /nfs/dbraw/zinc/07/97/48/624079748.db2.gz DKMDQXRDYVGMCM-XNIRIUNOSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1CC2(CC([NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)C2)CO1 ZINC000926286267 624079755 /nfs/dbraw/zinc/07/97/55/624079755.db2.gz DKMDQXRDYVGMCM-XNIRIUNOSA-N 2 1 296.455 2.035 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(c2cc(NC)ncn2)CC1 ZINC000891906268 624087306 /nfs/dbraw/zinc/08/73/06/624087306.db2.gz WDCHUDGNFZSNTK-UHFFFAOYSA-N 2 1 291.443 2.467 20 0 CEADMP C[N@H+](Cc1ccnn1C1CCC1)CC1CC[NH+](C)CC1 ZINC000891933077 624114952 /nfs/dbraw/zinc/11/49/52/624114952.db2.gz AJKXVIDJNQOJJD-UHFFFAOYSA-N 2 1 276.428 2.382 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3c2OCC3)C1 ZINC000892033507 624263908 /nfs/dbraw/zinc/26/39/08/624263908.db2.gz GHVOEGHREYGRHO-CYBMUJFWSA-N 2 1 260.381 2.005 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3c2OCC3)C1 ZINC000892033507 624263911 /nfs/dbraw/zinc/26/39/11/624263911.db2.gz GHVOEGHREYGRHO-CYBMUJFWSA-N 2 1 260.381 2.005 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(N[C@H](C)CC[NH+](C)C)c12 ZINC000892086123 624305047 /nfs/dbraw/zinc/30/50/47/624305047.db2.gz SQIXURSQPNRATK-SNVBAGLBSA-N 2 1 261.373 2.272 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000235107244 624619269 /nfs/dbraw/zinc/61/92/69/624619269.db2.gz AONFNYKRJFZHHT-BFHYXJOUSA-N 2 1 297.443 2.116 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001023446002 625015824 /nfs/dbraw/zinc/01/58/24/625015824.db2.gz GXXVJPOBNYNHMW-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001023446002 625015827 /nfs/dbraw/zinc/01/58/27/625015827.db2.gz GXXVJPOBNYNHMW-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001023446002 625015828 /nfs/dbraw/zinc/01/58/28/625015828.db2.gz GXXVJPOBNYNHMW-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000892520682 625887577 /nfs/dbraw/zinc/88/75/77/625887577.db2.gz CGIGAWLYNVMYOV-LBPRGKRZSA-N 2 1 287.411 2.228 20 0 CEADMP OCc1c[nH+]ccc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000892540646 625937487 /nfs/dbraw/zinc/93/74/87/625937487.db2.gz OHWXZVXHAVDFHX-KRWDZBQOSA-N 2 1 297.402 2.072 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@@H]2CCCO)CCOCC1 ZINC000820811152 634536803 /nfs/dbraw/zinc/53/68/03/634536803.db2.gz LQNXBXXDUGDDRM-CVEARBPZSA-N 2 1 298.471 2.018 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@H]2CCCO)CCOCC1 ZINC000820811155 634536919 /nfs/dbraw/zinc/53/69/19/634536919.db2.gz LQNXBXXDUGDDRM-JKSUJKDBSA-N 2 1 298.471 2.018 20 0 CEADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)[C@H]1CCCO1 ZINC000820829078 634543599 /nfs/dbraw/zinc/54/35/99/634543599.db2.gz FEQFKIVXNUCCOZ-SLUKUZTOSA-N 2 1 296.455 2.175 20 0 CEADMP CC[C@H](C[NH2+]C1CCC2(CC1)OCCO2)[NH+]1CCCC1 ZINC000161273782 627302639 /nfs/dbraw/zinc/30/26/39/627302639.db2.gz DWKDAVJCYAIACL-OAHLLOKOSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@@H](C[NH2+]Cc1cn(C)nc1C1CC1)C[NH+]1CCCC1 ZINC000892622094 627318384 /nfs/dbraw/zinc/31/83/84/627318384.db2.gz OEDVFDLLFBVJBA-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP CCn1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(C)n1 ZINC000892622072 627318640 /nfs/dbraw/zinc/31/86/40/627318640.db2.gz NRQCHZJIOGTDCU-CYBMUJFWSA-N 2 1 264.417 2.033 20 0 CEADMP CCn1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)n1 ZINC000892622998 627319689 /nfs/dbraw/zinc/31/96/89/627319689.db2.gz NGLXKWJURUNIJM-UHFFFAOYSA-N 2 1 276.428 2.175 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902321685 634570129 /nfs/dbraw/zinc/57/01/29/634570129.db2.gz XIRSPMBYRIWLRO-CQSZACIVSA-N 2 1 255.450 2.086 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)N1CCC(C)CC1 ZINC000902326718 634589294 /nfs/dbraw/zinc/58/92/94/634589294.db2.gz DHKSWRLXBWDBHI-JKSUJKDBSA-N 2 1 281.488 2.475 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(C)c2C2CC2)C1 ZINC000892746249 627748404 /nfs/dbraw/zinc/74/84/04/627748404.db2.gz WDFFGPFOLMKHOF-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(C)c2C2CC2)C1 ZINC000892746249 627748406 /nfs/dbraw/zinc/74/84/06/627748406.db2.gz WDFFGPFOLMKHOF-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000936060868 627755860 /nfs/dbraw/zinc/75/58/60/627755860.db2.gz MDHLZTAAPNXCBQ-GJZGRUSLSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000936060868 627755862 /nfs/dbraw/zinc/75/58/62/627755862.db2.gz MDHLZTAAPNXCBQ-GJZGRUSLSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000936060868 627755863 /nfs/dbraw/zinc/75/58/63/627755863.db2.gz MDHLZTAAPNXCBQ-GJZGRUSLSA-N 2 1 283.460 2.096 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H](Nc2nccn3c[nH+]cc23)C1 ZINC000892821018 627790419 /nfs/dbraw/zinc/79/04/19/627790419.db2.gz AKUSKFKVDFZDCQ-VXGBXAGGSA-N 2 1 259.357 2.014 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H]2COC(C)(C)O2)c1 ZINC000892937671 627864048 /nfs/dbraw/zinc/86/40/48/627864048.db2.gz GWEFCDGCADJGKZ-INIZCTEOSA-N 2 1 292.423 2.379 20 0 CEADMP Cc1nc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)sc1C ZINC000892951905 627889776 /nfs/dbraw/zinc/88/97/76/627889776.db2.gz SFXCHCSTHBQADD-AWEZNQCLSA-N 2 1 297.468 2.086 20 0 CEADMP COc1ccccc1[C@@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360617 634615978 /nfs/dbraw/zinc/61/59/78/634615978.db2.gz HZSYLOSWYSUEKK-DZGCQCFKSA-N 2 1 292.423 2.096 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccc(F)n2)C1 ZINC000902360066 634616041 /nfs/dbraw/zinc/61/60/41/634616041.db2.gz DUGLBDXKIKIXTD-NSHDSACASA-N 2 1 251.349 2.089 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](CO)c2cccc(F)c2)C1 ZINC000902362821 634618334 /nfs/dbraw/zinc/61/83/34/634618334.db2.gz SDONNHHWKHGRAR-CABCVRRESA-N 2 1 280.387 2.227 20 0 CEADMP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893077855 627984007 /nfs/dbraw/zinc/98/40/07/627984007.db2.gz NKDSDGIURAZBFT-GVZPALNKSA-N 2 1 290.455 2.183 20 0 CEADMP OC[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)Cc1ccccc1 ZINC000925502796 627994285 /nfs/dbraw/zinc/99/42/85/627994285.db2.gz LXBFCNXHOXNIAI-SJORKVTESA-N 2 1 288.435 2.102 20 0 CEADMP CCc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)on1 ZINC000925519528 628070046 /nfs/dbraw/zinc/07/00/46/628070046.db2.gz DFANOUFOGOUFHZ-CMPLNLGQSA-N 2 1 251.374 2.233 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3cccc(F)c3)C2)C1 ZINC000930556084 628084867 /nfs/dbraw/zinc/08/48/67/628084867.db2.gz QTNIQBAKLMFXJV-MRXNPFEDSA-N 2 1 262.372 2.396 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3cccc(F)c3)C2)C1 ZINC000930556084 628084871 /nfs/dbraw/zinc/08/48/71/628084871.db2.gz QTNIQBAKLMFXJV-MRXNPFEDSA-N 2 1 262.372 2.396 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCc3cccc(F)c3)C2)C1 ZINC000930556084 628084874 /nfs/dbraw/zinc/08/48/74/628084874.db2.gz QTNIQBAKLMFXJV-MRXNPFEDSA-N 2 1 262.372 2.396 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3cccc(F)c3)C2)C1 ZINC000930556084 628084878 /nfs/dbraw/zinc/08/48/78/628084878.db2.gz QTNIQBAKLMFXJV-MRXNPFEDSA-N 2 1 262.372 2.396 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902390343 634630663 /nfs/dbraw/zinc/63/06/63/634630663.db2.gz KMAXKSNCMKQCDT-LSDHHAIUSA-N 3 1 267.461 2.086 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H](NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000902394004 634633934 /nfs/dbraw/zinc/63/39/34/634633934.db2.gz UIKYZUUJQYSVFR-MRXNPFEDSA-N 2 1 273.424 2.158 20 0 CEADMP CN(C)c1ncccc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925544556 628182223 /nfs/dbraw/zinc/18/22/23/628182223.db2.gz ARVRZTLLWASCBG-QLFBSQMISA-N 2 1 288.439 2.014 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000925545056 628184612 /nfs/dbraw/zinc/18/46/12/628184612.db2.gz WMDOJKXSXLAFLS-MRXNPFEDSA-N 2 1 288.435 2.465 20 0 CEADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925571546 628245649 /nfs/dbraw/zinc/24/56/49/628245649.db2.gz DYWSZBWJGLZCCK-KOZAUXTDSA-N 2 1 280.387 2.368 20 0 CEADMP CC[C@H](C)N(C)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925578528 628255761 /nfs/dbraw/zinc/25/57/61/628255761.db2.gz WPHZPKYVDFPYFG-MELADBBJSA-N 2 1 255.450 2.212 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925578528 628255758 /nfs/dbraw/zinc/25/57/58/628255758.db2.gz WPHZPKYVDFPYFG-MELADBBJSA-N 2 1 255.450 2.212 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1cccc(F)c1F ZINC000925599022 628277870 /nfs/dbraw/zinc/27/78/70/628277870.db2.gz WCSLSIXZLWBRGJ-GWCFXTLKSA-N 2 1 254.324 2.237 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925608806 628290085 /nfs/dbraw/zinc/29/00/85/628290085.db2.gz KFDXHTNYZQNQFS-IUODEOHRSA-N 2 1 260.381 2.197 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000925617135 628303773 /nfs/dbraw/zinc/30/37/73/628303773.db2.gz VANMECIEXDGPKY-WMLDXEAASA-N 3 1 288.439 2.028 20 0 CEADMP Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925620124 628310447 /nfs/dbraw/zinc/31/04/47/628310447.db2.gz UIUBXAUAFDMAMW-JKSUJKDBSA-N 2 1 299.422 2.491 20 0 CEADMP C[C@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000925631798 628325885 /nfs/dbraw/zinc/32/58/85/628325885.db2.gz KMHKAZFRHWPMIA-XJNFMUPTSA-N 2 1 291.483 2.499 20 0 CEADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000902429885 634651459 /nfs/dbraw/zinc/65/14/59/634651459.db2.gz AXUPGYLXFOPGBS-WMHQRMGPSA-N 2 1 273.424 2.107 20 0 CEADMP CN(C)c1cccnc1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925669189 628450725 /nfs/dbraw/zinc/45/07/25/628450725.db2.gz QHEMHSCETCMNMR-QWHCGFSZSA-N 2 1 276.428 2.143 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925684251 628489289 /nfs/dbraw/zinc/48/92/89/628489289.db2.gz FYBIVLOXZCSSFV-KBPBESRZSA-N 2 1 267.461 2.356 20 0 CEADMP CC1(C)CCCN1CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925684251 628489290 /nfs/dbraw/zinc/48/92/90/628489290.db2.gz FYBIVLOXZCSSFV-KBPBESRZSA-N 2 1 267.461 2.356 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925686444 628491790 /nfs/dbraw/zinc/49/17/90/628491790.db2.gz UGSCKLJWUIRORU-KBAYOESNSA-N 3 1 293.499 2.476 20 0 CEADMP C[NH+]1C[C@]2(C)C[NH+](C[C@@H]3CC(C)(C)CO3)C[C@@]2(C)C1 ZINC000931318537 628519622 /nfs/dbraw/zinc/51/96/22/628519622.db2.gz UXPHAQAGLDFDCA-NUEKZKHPSA-N 2 1 266.429 2.075 20 0 CEADMP C[C@H]([NH3+])[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000925696851 628531286 /nfs/dbraw/zinc/53/12/86/628531286.db2.gz BOPQCBGWYJTQAT-DZGCQCFKSA-N 3 1 261.413 2.054 20 0 CEADMP C[C@H]([NH3+])[C@@H](NCC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000925696851 628531287 /nfs/dbraw/zinc/53/12/87/628531287.db2.gz BOPQCBGWYJTQAT-DZGCQCFKSA-N 2 1 261.413 2.054 20 0 CEADMP COc1ccc(F)c(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925721918 628589836 /nfs/dbraw/zinc/58/98/36/628589836.db2.gz RLWWWEZSCDWVER-UONOGXRCSA-N 2 1 264.344 2.194 20 0 CEADMP CCC[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)OCC ZINC000925722428 628595263 /nfs/dbraw/zinc/59/52/63/628595263.db2.gz IJVRSOAWLPAZEF-KGLIPLIRSA-N 2 1 254.418 2.456 20 0 CEADMP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925722882 628602880 /nfs/dbraw/zinc/60/28/80/628602880.db2.gz OLUWBFOXRGYFNT-ZBFHGGJFSA-N 3 1 267.461 2.227 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000902477936 634668463 /nfs/dbraw/zinc/66/84/63/634668463.db2.gz VUSLJQBVKHXGCO-FWEDZOCSSA-N 2 1 285.435 2.132 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000902448389 634671181 /nfs/dbraw/zinc/67/11/81/634671181.db2.gz FPJHNJCSJUOMAQ-HYVNUMGLSA-N 2 1 287.451 2.410 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000925730171 628670122 /nfs/dbraw/zinc/67/01/22/628670122.db2.gz OEQDTVSXCLXZQD-TZMCWYRMSA-N 2 1 282.815 2.146 20 0 CEADMP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC(F)(F)C1 ZINC000925733051 628688186 /nfs/dbraw/zinc/68/81/86/628688186.db2.gz FMRCMKXSGSTTDT-UPJWGTAASA-N 2 1 288.382 2.169 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(C)C ZINC000902466962 634684570 /nfs/dbraw/zinc/68/45/70/634684570.db2.gz JUCBUNCZMBHHOZ-MRTXSQPYSA-N 2 1 252.402 2.061 20 0 CEADMP Clc1c[nH+]ccc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000094272594 628807889 /nfs/dbraw/zinc/80/78/89/628807889.db2.gz LCNMTAYBNSFNFW-GHMZBOCLSA-N 2 1 267.760 2.010 20 0 CEADMP Clc1c[nH+]ccc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000094272594 628807892 /nfs/dbraw/zinc/80/78/92/628807892.db2.gz LCNMTAYBNSFNFW-GHMZBOCLSA-N 2 1 267.760 2.010 20 0 CEADMP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925784795 628822276 /nfs/dbraw/zinc/82/22/76/628822276.db2.gz NXKJODJYHOVGJT-DJIMGWMZSA-N 2 1 276.424 2.425 20 0 CEADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)[C@H]1C[C@H]1C ZINC000925801837 628849522 /nfs/dbraw/zinc/84/95/22/628849522.db2.gz ZCACVRXJSMRDLF-QPSCCSFWSA-N 2 1 266.429 2.169 20 0 CEADMP CC(=O)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000224874403 628883067 /nfs/dbraw/zinc/88/30/67/628883067.db2.gz PTJVBSWMYXJKKL-HNNXBMFYSA-N 2 1 252.402 2.162 20 0 CEADMP CC(=O)C1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000224874403 628883071 /nfs/dbraw/zinc/88/30/71/628883071.db2.gz PTJVBSWMYXJKKL-HNNXBMFYSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@@H](CCCC[NH3+])N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925827362 628917561 /nfs/dbraw/zinc/91/75/61/628917561.db2.gz OATNBIGCFICJLS-HOCLYGCPSA-N 2 1 278.444 2.182 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925827362 628917562 /nfs/dbraw/zinc/91/75/62/628917562.db2.gz OATNBIGCFICJLS-HOCLYGCPSA-N 3 1 278.444 2.182 20 0 CEADMP C[C@@H](CC1CCC1)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925844911 628946797 /nfs/dbraw/zinc/94/67/97/628946797.db2.gz MQADPHFSOCPPFF-HNNXBMFYSA-N 2 1 267.461 2.230 20 0 CEADMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cccc(O)c1 ZINC000925846271 628949604 /nfs/dbraw/zinc/94/96/04/628949604.db2.gz VAACKHZFYBHYGR-HNNXBMFYSA-N 2 1 291.439 2.118 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]CCCCC[NH+]2CCNCC2)[C@@H]1C ZINC000925846903 628950369 /nfs/dbraw/zinc/95/03/69/628950369.db2.gz YEPQFJKBBXRLRN-ZACQAIPSSA-N 2 1 281.488 2.476 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)CC1(O)CCCCCC1 ZINC000893715693 628977561 /nfs/dbraw/zinc/97/75/61/628977561.db2.gz CYRCSQYHRQUBDW-UHFFFAOYSA-N 2 1 268.445 2.345 20 0 CEADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2nc3c(s2)COCC3)C1 ZINC000925879654 628978942 /nfs/dbraw/zinc/97/89/42/628978942.db2.gz BIHMNHYXFRZZCF-QWRGUYRKSA-N 2 1 295.452 2.211 20 0 CEADMP CO[C@@H]1CC[C@@H]([N@@H+](C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000821379891 634702937 /nfs/dbraw/zinc/70/29/37/634702937.db2.gz LUEUXDHDKPUTTD-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP CO[C@@H]1CC[C@@H]([NH+](C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000821379891 634702939 /nfs/dbraw/zinc/70/29/39/634702939.db2.gz LUEUXDHDKPUTTD-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP CO[C@@H]1CC[C@@H]([NH+](C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000821379891 634702946 /nfs/dbraw/zinc/70/29/46/634702946.db2.gz LUEUXDHDKPUTTD-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3nonc3c2)C1 ZINC000821381180 634704030 /nfs/dbraw/zinc/70/40/30/634704030.db2.gz VZHNPUTWDHJGFJ-CQSZACIVSA-N 2 1 288.395 2.387 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3nonc3c2)C1 ZINC000821381180 634704036 /nfs/dbraw/zinc/70/40/36/634704036.db2.gz VZHNPUTWDHJGFJ-CQSZACIVSA-N 2 1 288.395 2.387 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000821381180 634704045 /nfs/dbraw/zinc/70/40/45/634704045.db2.gz VZHNPUTWDHJGFJ-CQSZACIVSA-N 2 1 288.395 2.387 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000821381180 634704047 /nfs/dbraw/zinc/70/40/47/634704047.db2.gz VZHNPUTWDHJGFJ-CQSZACIVSA-N 2 1 288.395 2.387 20 0 CEADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261695563 629088613 /nfs/dbraw/zinc/08/86/13/629088613.db2.gz BGDXVKDLKBMXKT-UHFFFAOYSA-N 2 1 296.418 2.448 20 0 CEADMP CC[C@H]1C[N@H+](CCSC(F)(F)F)CC[C@H]1[NH3+] ZINC000253155963 629169270 /nfs/dbraw/zinc/16/92/70/629169270.db2.gz DAWQZEDWPZPZOJ-DTWKUNHWSA-N 2 1 256.337 2.299 20 0 CEADMP CC[C@H]1C[N@@H+](CCSC(F)(F)F)CC[C@H]1[NH3+] ZINC000253155963 629169272 /nfs/dbraw/zinc/16/92/72/629169272.db2.gz DAWQZEDWPZPZOJ-DTWKUNHWSA-N 2 1 256.337 2.299 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000924916940 629252798 /nfs/dbraw/zinc/25/27/98/629252798.db2.gz NNIALMCOMZXUKR-XHSDSOJGSA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924916940 629252799 /nfs/dbraw/zinc/25/27/99/629252799.db2.gz NNIALMCOMZXUKR-XHSDSOJGSA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924916940 629252802 /nfs/dbraw/zinc/25/28/02/629252802.db2.gz NNIALMCOMZXUKR-XHSDSOJGSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@@H]1[NH3+] ZINC000261958680 629396170 /nfs/dbraw/zinc/39/61/70/629396170.db2.gz OYLRZVQUGZMUJR-MFKMUULPSA-N 2 1 276.409 2.307 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@@H]1[NH3+] ZINC000261958680 629396171 /nfs/dbraw/zinc/39/61/71/629396171.db2.gz OYLRZVQUGZMUJR-MFKMUULPSA-N 2 1 276.409 2.307 20 0 CEADMP CCOC1CC2(C1)CC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC000894425566 629454737 /nfs/dbraw/zinc/45/47/37/629454737.db2.gz MSNIDKXXFUNDFB-UHFFFAOYSA-N 2 1 266.429 2.219 20 0 CEADMP CCn1cc(C[N@H+](C)CCCn2cc[nH+]c2C)c(C)n1 ZINC000894476251 629483764 /nfs/dbraw/zinc/48/37/64/629483764.db2.gz OJWVHGVLXCFGBW-UHFFFAOYSA-N 2 1 275.400 2.238 20 0 CEADMP CCn1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(C)n1 ZINC000894476251 629483766 /nfs/dbraw/zinc/48/37/66/629483766.db2.gz OJWVHGVLXCFGBW-UHFFFAOYSA-N 2 1 275.400 2.238 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCSC[C@@H]2C2CC2)CC1 ZINC000894732129 629610287 /nfs/dbraw/zinc/61/02/87/629610287.db2.gz ZWSWKMPQGSCMTN-CQSZACIVSA-N 2 1 254.443 2.156 20 0 CEADMP COc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)nc1 ZINC000894807359 629652017 /nfs/dbraw/zinc/65/20/17/629652017.db2.gz TYPDEWOPOYTUCR-UHFFFAOYSA-N 2 1 263.385 2.054 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(N3CCC(C)([NH+](C)C)CC3)c12 ZINC000894846350 629685049 /nfs/dbraw/zinc/68/50/49/629685049.db2.gz VWBFUIHJMPUZNL-UHFFFAOYSA-N 2 1 287.411 2.441 20 0 CEADMP CCn1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000894861937 629699513 /nfs/dbraw/zinc/69/95/13/629699513.db2.gz ZDPRPKDJZZIYCH-AWEZNQCLSA-N 2 1 264.417 2.033 20 0 CEADMP Cc1noc2ncc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc12 ZINC000894911217 629750524 /nfs/dbraw/zinc/75/05/24/629750524.db2.gz FNFHCUAOVMYUEX-AGUYFDCRSA-N 2 1 286.379 2.246 20 0 CEADMP Cc1noc2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc12 ZINC000894911217 629750528 /nfs/dbraw/zinc/75/05/28/629750528.db2.gz FNFHCUAOVMYUEX-AGUYFDCRSA-N 2 1 286.379 2.246 20 0 CEADMP Cc1noc2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc12 ZINC000894911217 629750536 /nfs/dbraw/zinc/75/05/36/629750536.db2.gz FNFHCUAOVMYUEX-AGUYFDCRSA-N 2 1 286.379 2.246 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC[N@@H+]1C ZINC000895204125 630031853 /nfs/dbraw/zinc/03/18/53/630031853.db2.gz FWICWHAVYPJECI-GXTWGEPZSA-N 2 1 285.391 2.100 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC[N@H+]1C ZINC000895204125 630031859 /nfs/dbraw/zinc/03/18/59/630031859.db2.gz FWICWHAVYPJECI-GXTWGEPZSA-N 2 1 285.391 2.100 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cn1 ZINC000895292077 630082220 /nfs/dbraw/zinc/08/22/20/630082220.db2.gz DLBGBCTWSHTKEZ-CQSZACIVSA-N 2 1 278.444 2.356 20 0 CEADMP COCCOc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1 ZINC000895296680 630089996 /nfs/dbraw/zinc/08/99/96/630089996.db2.gz BGNYPUPAQKECDK-CQSZACIVSA-N 2 1 280.412 2.142 20 0 CEADMP Cc1ccc([C@@H](O)[C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000797065357 630122441 /nfs/dbraw/zinc/12/24/41/630122441.db2.gz WMNOPQDCODMPJG-CJNGLKHVSA-N 2 1 262.397 2.101 20 0 CEADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000895381527 630152888 /nfs/dbraw/zinc/15/28/88/630152888.db2.gz UFSKHXVZZPOTKR-HIFRSBDPSA-N 2 1 277.412 2.339 20 0 CEADMP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000895447158 630195308 /nfs/dbraw/zinc/19/53/08/630195308.db2.gz UTYSILFUACRWPB-AWEZNQCLSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000895447158 630195312 /nfs/dbraw/zinc/19/53/12/630195312.db2.gz UTYSILFUACRWPB-AWEZNQCLSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC000895509377 630228494 /nfs/dbraw/zinc/22/84/94/630228494.db2.gz QTLBVGXWECZZKL-UKRRQHHQSA-N 2 1 277.412 2.339 20 0 CEADMP COCC(C)(C)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895555735 630247852 /nfs/dbraw/zinc/24/78/52/630247852.db2.gz BWZUATAACITECA-AWEZNQCLSA-N 2 1 277.412 2.265 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCSC2)CCN1c1cc[nH+]cc1 ZINC000895557946 630248842 /nfs/dbraw/zinc/24/88/42/630248842.db2.gz TXGPULUCXWDFIY-KGLIPLIRSA-N 2 1 277.437 2.345 20 0 CEADMP FC[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000895566812 630257245 /nfs/dbraw/zinc/25/72/45/630257245.db2.gz DFOSPVICDKOWLF-GFCCVEGCSA-N 2 1 260.316 2.059 20 0 CEADMP Cc1ccc(O[C@@H]2CC[N@H+](CC3CC[NH+](C)CC3)C2)nc1 ZINC000895640139 630287013 /nfs/dbraw/zinc/28/70/13/630287013.db2.gz HRYLDCHTHAJBMG-MRXNPFEDSA-N 2 1 289.423 2.185 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000895798651 630353281 /nfs/dbraw/zinc/35/32/81/630353281.db2.gz IVLTVIPXGAETDF-AWEZNQCLSA-N 2 1 295.471 2.238 20 0 CEADMP CO[C@@](C)(C[NH2+][C@@H](CCN(C)C)c1cccnc1)C1CC1 ZINC000896720312 630644283 /nfs/dbraw/zinc/64/42/83/630644283.db2.gz HUUQYIFESQFQEQ-IRXDYDNUSA-N 2 1 291.439 2.479 20 0 CEADMP CCO[C@@H](C[NH2+]C[C@H](OC)C1CCCCC1)C[NH+](C)C ZINC000896878635 630698748 /nfs/dbraw/zinc/69/87/48/630698748.db2.gz SCXCOESVGFSONF-HOTGVXAUSA-N 2 1 286.460 2.138 20 0 CEADMP CCO[C@H](C[NH2+]CCc1ccc(Cl)cc1)C[NH+](C)C ZINC000896879985 630699076 /nfs/dbraw/zinc/69/90/76/630699076.db2.gz KNLCXOUGFXCSRT-OAHLLOKOSA-N 2 1 284.831 2.439 20 0 CEADMP Cc1[nH+]ccc(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1Cl ZINC000896913565 630798710 /nfs/dbraw/zinc/79/87/10/630798710.db2.gz UCOFOWHWRJMSTN-RISCZKNCSA-N 2 1 265.788 2.431 20 0 CEADMP Cc1cc(N2CCCC3(CC[NH+](C)CC3)C2)nc(C)[nH+]1 ZINC000798405590 630865806 /nfs/dbraw/zinc/86/58/06/630865806.db2.gz PDQFJMVGMQNQMG-UHFFFAOYSA-N 2 1 274.412 2.406 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+](Cc3cnc(Cl)cn3)C2)CC1 ZINC000799178587 630991753 /nfs/dbraw/zinc/99/17/53/630991753.db2.gz WNUAIJLKPCXETL-UHFFFAOYSA-N 2 1 294.830 2.438 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnc(Cl)cn3)C2)CC1 ZINC000799178587 630991756 /nfs/dbraw/zinc/99/17/56/630991756.db2.gz WNUAIJLKPCXETL-UHFFFAOYSA-N 2 1 294.830 2.438 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000904299980 635554262 /nfs/dbraw/zinc/55/42/62/635554262.db2.gz SUSCOZXLRBFJQQ-UKRRQHHQSA-N 2 1 290.407 2.341 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000904317371 635564930 /nfs/dbraw/zinc/56/49/30/635564930.db2.gz VJIZDPLZPAQUPD-UONOGXRCSA-N 2 1 284.444 2.225 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000904317371 635564934 /nfs/dbraw/zinc/56/49/34/635564934.db2.gz VJIZDPLZPAQUPD-UONOGXRCSA-N 2 1 284.444 2.225 20 0 CEADMP CN(CC[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000904318538 635566359 /nfs/dbraw/zinc/56/63/59/635566359.db2.gz RTAPCLXCVNCKHX-KRWDZBQOSA-N 2 1 275.440 2.444 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+](CCCCO)C1CC1 ZINC000904320918 635568047 /nfs/dbraw/zinc/56/80/47/635568047.db2.gz QQJOCVQISFETIL-CYBMUJFWSA-N 2 1 256.434 2.377 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+](CCCCO)C1CC1 ZINC000904320918 635568051 /nfs/dbraw/zinc/56/80/51/635568051.db2.gz QQJOCVQISFETIL-CYBMUJFWSA-N 2 1 256.434 2.377 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897536992 631688916 /nfs/dbraw/zinc/68/89/16/631688916.db2.gz ZYRJONVCMSGCRJ-BBRMVZONSA-N 2 1 277.412 2.178 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCO1 ZINC000897621825 631827435 /nfs/dbraw/zinc/82/74/35/631827435.db2.gz VONULHKBRMOBJH-QKPAOTATSA-N 2 1 266.429 2.075 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCO1 ZINC000897621825 631827439 /nfs/dbraw/zinc/82/74/39/631827439.db2.gz VONULHKBRMOBJH-QKPAOTATSA-N 2 1 266.429 2.075 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCO1 ZINC000897621825 631827453 /nfs/dbraw/zinc/82/74/53/631827453.db2.gz VONULHKBRMOBJH-QKPAOTATSA-N 2 1 266.429 2.075 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4c3NCCC4)C[C@]2(C)C1 ZINC000897620058 631831051 /nfs/dbraw/zinc/83/10/51/631831051.db2.gz FPLPPGGBXNUUPQ-AEFFLSMTSA-N 2 1 285.435 2.428 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc4c3NCCC4)C[C@]2(C)C1 ZINC000897620058 631831053 /nfs/dbraw/zinc/83/10/53/631831053.db2.gz FPLPPGGBXNUUPQ-AEFFLSMTSA-N 2 1 285.435 2.428 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc4c3NCCC4)C[C@]2(C)C1 ZINC000897620058 631831054 /nfs/dbraw/zinc/83/10/54/631831054.db2.gz FPLPPGGBXNUUPQ-AEFFLSMTSA-N 2 1 285.435 2.428 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4c3NCCC4)C[C@]2(C)C1 ZINC000897620058 631831059 /nfs/dbraw/zinc/83/10/59/631831059.db2.gz FPLPPGGBXNUUPQ-AEFFLSMTSA-N 2 1 285.435 2.428 20 0 CEADMP CC1(C)CCC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)O1 ZINC000898047349 632011734 /nfs/dbraw/zinc/01/17/34/632011734.db2.gz XXCSRNMNDBALLN-JKSUJKDBSA-N 2 1 296.455 2.177 20 0 CEADMP O[C@@H](CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000898202028 632082271 /nfs/dbraw/zinc/08/22/71/632082271.db2.gz BFLQAOMTXGGMDR-SFHVURJKSA-N 2 1 288.435 2.402 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H]1CCC=CO1 ZINC000809738547 632135168 /nfs/dbraw/zinc/13/51/68/632135168.db2.gz YXKZSHDKOVAPDK-IAGOWNOFSA-N 2 1 295.471 2.027 20 0 CEADMP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCC1 ZINC000322460825 632209205 /nfs/dbraw/zinc/20/92/05/632209205.db2.gz LIBCHAQIILQNIC-OAGGEKHMSA-N 2 1 266.429 2.408 20 0 CEADMP CCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCC1 ZINC000322460825 632209209 /nfs/dbraw/zinc/20/92/09/632209209.db2.gz LIBCHAQIILQNIC-OAGGEKHMSA-N 2 1 266.429 2.408 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1)C1CC1 ZINC000866709544 632341297 /nfs/dbraw/zinc/34/12/97/632341297.db2.gz RZEASBGVZJKLGZ-ZBFHGGJFSA-N 2 1 268.445 2.498 20 0 CEADMP CCN1CCC[C@@H]([NH2+]C2CC[NH+](CCC(C)C)CC2)C1=O ZINC000926899354 632342370 /nfs/dbraw/zinc/34/23/70/632342370.db2.gz ICLJXAMLGPHJDU-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1C[C@@H](OCC)C12CCCC2)C[NH+](C)C ZINC000926961046 632387934 /nfs/dbraw/zinc/38/79/34/632387934.db2.gz OAQLBFYZVWSIJE-OWCLPIDISA-N 2 1 298.471 2.281 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CC[C@@H]1C(C)(C)C)C[NH+](C)C ZINC000926964638 632394746 /nfs/dbraw/zinc/39/47/46/632394746.db2.gz YCXGDHZRLAAUME-RDBSUJKOSA-N 2 1 256.434 2.367 20 0 CEADMP CCO[C@@H](C[NH2+][C@H](C)c1cccc(O)c1)CN(C)C ZINC000926966967 632397030 /nfs/dbraw/zinc/39/70/30/632397030.db2.gz YZKOGGRQJHEGSB-DOMZBBRYSA-N 2 1 266.385 2.010 20 0 CEADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000924689176 632420339 /nfs/dbraw/zinc/42/03/39/632420339.db2.gz WYWNRIVLHAIYKU-OAGGEKHMSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000924705267 632439769 /nfs/dbraw/zinc/43/97/69/632439769.db2.gz KZLAPNXFSXLBQY-RRFJBIMHSA-N 2 1 256.434 2.248 20 0 CEADMP Cc1cc(CNc2cc(C)[nH+]c(N)n2)cc(N2CCCC2)[nH+]1 ZINC000811854194 632456676 /nfs/dbraw/zinc/45/66/76/632456676.db2.gz SFFSEDDLFUYZAT-UHFFFAOYSA-N 2 1 298.394 2.283 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000898512156 632523378 /nfs/dbraw/zinc/52/33/78/632523378.db2.gz IGZMORVIDZIFSJ-DLBZAZTESA-N 2 1 280.456 2.467 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000813335644 632672763 /nfs/dbraw/zinc/67/27/63/632672763.db2.gz FWOCWZBPOAFBDV-KGLIPLIRSA-N 2 1 284.444 2.380 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000813335644 632672764 /nfs/dbraw/zinc/67/27/64/632672764.db2.gz FWOCWZBPOAFBDV-KGLIPLIRSA-N 2 1 284.444 2.380 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000813335644 632672767 /nfs/dbraw/zinc/67/27/67/632672767.db2.gz FWOCWZBPOAFBDV-KGLIPLIRSA-N 2 1 284.444 2.380 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000813335644 632672775 /nfs/dbraw/zinc/67/27/75/632672775.db2.gz FWOCWZBPOAFBDV-KGLIPLIRSA-N 2 1 284.444 2.380 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnc(-c2ccncc2)s1)C[NH+](C)C ZINC000813784647 632734192 /nfs/dbraw/zinc/73/41/92/632734192.db2.gz MWBYKKUVQPEBPP-LBPRGKRZSA-N 2 1 290.436 2.492 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@H](C)C2CC2)C1 ZINC000899271526 632768092 /nfs/dbraw/zinc/76/80/92/632768092.db2.gz ZHUROCWSRIQHKK-ZIAGYGMSSA-N 2 1 280.460 2.267 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000899911341 633096143 /nfs/dbraw/zinc/09/61/43/633096143.db2.gz SJRPKXRWQKOWFX-HNNXBMFYSA-N 2 1 278.371 2.029 20 0 CEADMP C[NH+]1CCC2(CC[N@H+]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000899911341 633096151 /nfs/dbraw/zinc/09/61/51/633096151.db2.gz SJRPKXRWQKOWFX-HNNXBMFYSA-N 2 1 278.371 2.029 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC1CCC([NH+](C)C)CC1 ZINC000817658405 633716552 /nfs/dbraw/zinc/71/65/52/633716552.db2.gz AUQVRCJBIXBHPJ-UHFFFAOYSA-N 2 1 297.487 2.488 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000817898441 633759544 /nfs/dbraw/zinc/75/95/44/633759544.db2.gz FSEVAGWKZRZLJT-QLFBSQMISA-N 2 1 282.815 2.494 20 0 CEADMP Cc1cccc(F)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817898008 633759883 /nfs/dbraw/zinc/75/98/83/633759883.db2.gz YQQZGJDYFRHXIF-DJIMGWMZSA-N 2 1 292.398 2.381 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000817905618 633765451 /nfs/dbraw/zinc/76/54/51/633765451.db2.gz QLMDQFSBKQVXIP-BRWVUGGUSA-N 2 1 270.376 2.343 20 0 CEADMP CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccco1)[C@@H]1CCC[NH2+]1 ZINC000817913395 633771109 /nfs/dbraw/zinc/77/11/09/633771109.db2.gz OMAVHGOVHRYBLL-RFGFWPKPSA-N 2 1 266.385 2.212 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])N1CCCCC1 ZINC000817913911 633772163 /nfs/dbraw/zinc/77/21/63/633772163.db2.gz QNRHHVNMTMBPLF-QLFBSQMISA-N 2 1 253.434 2.110 20 0 CEADMP Cc1ncc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)s1 ZINC000817916086 633774726 /nfs/dbraw/zinc/77/47/26/633774726.db2.gz UQFLLQRERMYKFU-SECBINFHSA-N 2 1 262.382 2.152 20 0 CEADMP C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000817924352 633780766 /nfs/dbraw/zinc/78/07/66/633780766.db2.gz QPEVUEAVODRCOO-XIRDDKMYSA-N 2 1 276.424 2.404 20 0 CEADMP C[C@]1(CN[C@H]2CCC[C@H]2[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000817927573 633782868 /nfs/dbraw/zinc/78/28/68/633782868.db2.gz HZMCQNOXWBOGRC-FGTMMUONSA-N 2 1 287.451 2.368 20 0 CEADMP COCc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)ccc1OC ZINC000817959768 633801435 /nfs/dbraw/zinc/80/14/35/633801435.db2.gz IUGHMJXHFAYWDP-NHYWBVRUSA-N 2 1 278.396 2.230 20 0 CEADMP Cc1c([C@@H](C)[NH2+]CC2C[NH2+]C2)cnn1-c1ccccc1 ZINC000817965136 633807039 /nfs/dbraw/zinc/80/70/39/633807039.db2.gz MIWRYIVNABYYNJ-GFCCVEGCSA-N 2 1 270.380 2.051 20 0 CEADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000817982271 633824768 /nfs/dbraw/zinc/82/47/68/633824768.db2.gz QKBRSQFAKWGQBI-TZMCWYRMSA-N 2 1 266.360 2.163 20 0 CEADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1C ZINC000817981712 633825037 /nfs/dbraw/zinc/82/50/37/633825037.db2.gz NAXHKFRANYICDW-CABCVRRESA-N 2 1 292.423 2.341 20 0 CEADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000817982270 633825184 /nfs/dbraw/zinc/82/51/84/633825184.db2.gz QKBRSQFAKWGQBI-OCCSQVGLSA-N 2 1 266.360 2.163 20 0 CEADMP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000818973310 634023258 /nfs/dbraw/zinc/02/32/58/634023258.db2.gz UVFLMGXTPDBSAN-WBMJQRKESA-N 2 1 294.826 2.447 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000819061949 634057556 /nfs/dbraw/zinc/05/75/56/634057556.db2.gz YKXDCTIHYQUHFF-YGRLFVJLSA-N 2 1 288.794 2.442 20 0 CEADMP C[C@@H](CC[NH2+]C[C@H](O)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000819126718 634075897 /nfs/dbraw/zinc/07/58/97/634075897.db2.gz QQHDSRIDHYNNNB-YOEHRIQHSA-N 2 1 276.424 2.258 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000819151938 634086670 /nfs/dbraw/zinc/08/66/70/634086670.db2.gz IOZWZIIVNFYYBL-WMLDXEAASA-N 2 1 294.414 2.427 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)C1=CC[N@@H+](C)CC1 ZINC000819219464 634107773 /nfs/dbraw/zinc/10/77/73/634107773.db2.gz FDEWUBMGBKUMIM-BZNIZROVSA-N 2 1 296.361 2.238 20 0 CEADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(F)c1 ZINC000819278282 634125942 /nfs/dbraw/zinc/12/59/42/634125942.db2.gz NJSGBPGGKFTLDO-OFLPRAFFSA-N 2 1 292.398 2.466 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000819361595 634155220 /nfs/dbraw/zinc/15/52/20/634155220.db2.gz IYMKFABUNYAFOI-INIZCTEOSA-N 2 1 280.387 2.323 20 0 CEADMP CS[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000822456152 634922514 /nfs/dbraw/zinc/92/25/14/634922514.db2.gz PJSYXBRSWWLTDZ-RRFJBIMHSA-N 2 1 284.469 2.113 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C1CC1 ZINC000903017916 634926979 /nfs/dbraw/zinc/92/69/79/634926979.db2.gz ZSLDPDIQHZOZQF-SMLCLMEVSA-N 2 1 278.440 2.264 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903077117 634958967 /nfs/dbraw/zinc/95/89/67/634958967.db2.gz YCRPQKPWTGTCQI-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903160393 634993822 /nfs/dbraw/zinc/99/38/22/634993822.db2.gz LGVJIGYZWISOCZ-XZMUVTDLSA-N 2 1 264.413 2.159 20 0 CEADMP CO[C@@H]1CCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000903166163 634995905 /nfs/dbraw/zinc/99/59/05/634995905.db2.gz VTOWITDKRDXKBW-NEXFUWMNSA-N 2 1 252.402 2.160 20 0 CEADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CC1 ZINC000903176507 634998765 /nfs/dbraw/zinc/99/87/65/634998765.db2.gz BMLASJMSEWBHBM-WDVRLDOZSA-N 2 1 264.413 2.159 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CCCO)CC1 ZINC000924788381 634999291 /nfs/dbraw/zinc/99/92/91/634999291.db2.gz MSAWYMIDUMEEGZ-RDJZCZTQSA-N 2 1 298.471 2.018 20 0 CEADMP CN(C)c1cc[nH+]c(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000903198102 635008168 /nfs/dbraw/zinc/00/81/68/635008168.db2.gz FZSWJBZSDVDNQH-BBWFWOEESA-N 2 1 288.439 2.110 20 0 CEADMP CN(C)c1ccnc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000903198102 635008169 /nfs/dbraw/zinc/00/81/69/635008169.db2.gz FZSWJBZSDVDNQH-BBWFWOEESA-N 2 1 288.439 2.110 20 0 CEADMP CN(C)c1ccnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000903198102 635008174 /nfs/dbraw/zinc/00/81/74/635008174.db2.gz FZSWJBZSDVDNQH-BBWFWOEESA-N 2 1 288.439 2.110 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H](O)C(F)(F)F ZINC000903214032 635018156 /nfs/dbraw/zinc/01/81/56/635018156.db2.gz WGYWDARSEPSVDN-SMELEDMTSA-N 2 1 292.345 2.046 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H](O)C(F)(F)F ZINC000903214032 635018159 /nfs/dbraw/zinc/01/81/59/635018159.db2.gz WGYWDARSEPSVDN-SMELEDMTSA-N 2 1 292.345 2.046 20 0 CEADMP CC/C(C)=C\C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000822952764 635034112 /nfs/dbraw/zinc/03/41/12/635034112.db2.gz YCSYOKGTPPEBGY-KGAUPUERSA-N 2 1 295.471 2.217 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H](CO)CCc2ccccc2)[C@H](C)C1 ZINC000903290470 635054141 /nfs/dbraw/zinc/05/41/41/635054141.db2.gz WTECYHNJZWQXLW-KBAYOESNSA-N 2 1 290.451 2.300 20 0 CEADMP COCC[N@H+](Cc1cccs1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903427313 635113008 /nfs/dbraw/zinc/11/30/08/635113008.db2.gz VXSAAQANPOPWBA-OLZOCXBDSA-N 2 1 268.426 2.324 20 0 CEADMP C[N@@H+](CCc1ccc(F)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903432602 635114948 /nfs/dbraw/zinc/11/49/48/635114948.db2.gz GHWIJOYHEYFXEZ-HIFRSBDPSA-N 2 1 250.361 2.427 20 0 CEADMP CCC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C[C@@H]1CCCCO1 ZINC000903435096 635115987 /nfs/dbraw/zinc/11/59/87/635115987.db2.gz OBOFBJGXSRPVOQ-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCS[C@H]3CCCC[C@H]32)C1 ZINC000903439755 635118830 /nfs/dbraw/zinc/11/88/30/635118830.db2.gz NVYAOYDJEKANSM-DGAVXFQQSA-N 2 1 254.443 2.474 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000903441888 635128231 /nfs/dbraw/zinc/12/82/31/635128231.db2.gz DMPMEGIIHIHPCK-AEFFLSMTSA-N 2 1 293.499 2.430 20 0 CEADMP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCCCC1 ZINC000903470435 635141386 /nfs/dbraw/zinc/14/13/86/635141386.db2.gz BPUTUAGGOZWAPI-LSDHHAIUSA-N 2 1 266.429 2.456 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCCCC1 ZINC000903470434 635141560 /nfs/dbraw/zinc/14/15/60/635141560.db2.gz BPUTUAGGOZWAPI-HUUCEWRRSA-N 2 1 266.429 2.456 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000903478227 635147019 /nfs/dbraw/zinc/14/70/19/635147019.db2.gz GRRSMVROXULKKA-UWWQBHOKSA-N 2 1 270.420 2.432 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000903481555 635148855 /nfs/dbraw/zinc/14/88/55/635148855.db2.gz FZWZVXFIBSYJTL-KGLIPLIRSA-N 2 1 252.402 2.066 20 0 CEADMP FC1(F)C[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)C1(F)F ZINC000903491010 635156327 /nfs/dbraw/zinc/15/63/27/635156327.db2.gz QWRAZQQGDXVZHO-GHMZBOCLSA-N 2 1 280.309 2.352 20 0 CEADMP FCCCCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507357 635160953 /nfs/dbraw/zinc/16/09/53/635160953.db2.gz XDZLCOGCMWFPAQ-IYBDPMFKSA-N 2 1 283.435 2.027 20 0 CEADMP FCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903507357 635160955 /nfs/dbraw/zinc/16/09/55/635160955.db2.gz XDZLCOGCMWFPAQ-IYBDPMFKSA-N 2 1 283.435 2.027 20 0 CEADMP FCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903507357 635160961 /nfs/dbraw/zinc/16/09/61/635160961.db2.gz XDZLCOGCMWFPAQ-IYBDPMFKSA-N 2 1 283.435 2.027 20 0 CEADMP CC[N@H+](Cc1cccs1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719407 635233252 /nfs/dbraw/zinc/23/32/52/635233252.db2.gz ZJQGDVBLGFRXHM-UKRRQHHQSA-N 2 1 280.437 2.339 20 0 CEADMP CC(C)[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCCC1 ZINC000903723214 635236381 /nfs/dbraw/zinc/23/63/81/635236381.db2.gz FURIIQZHZDJTPW-HOTGVXAUSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@@H+](Cc1ccc(F)cc1F)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725174 635238198 /nfs/dbraw/zinc/23/81/98/635238198.db2.gz XOOYRKXWPYFOMX-ZBFHGGJFSA-N 2 1 296.361 2.165 20 0 CEADMP C[N@H+](Cc1ccc(F)cc1F)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725174 635238203 /nfs/dbraw/zinc/23/82/03/635238203.db2.gz XOOYRKXWPYFOMX-ZBFHGGJFSA-N 2 1 296.361 2.165 20 0 CEADMP Cc1cccc2c1CC[N@@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903728990 635240571 /nfs/dbraw/zinc/24/05/71/635240571.db2.gz IYUDUTPHHSMSQX-FUHWJXTLSA-N 2 1 286.419 2.122 20 0 CEADMP COc1ccc([C@H](CO)[N@@H+](C)C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000903728705 635240759 /nfs/dbraw/zinc/24/07/59/635240759.db2.gz FFKALSZYMHPHPV-PBHICJAKSA-N 2 1 292.423 2.050 20 0 CEADMP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000903746138 635246854 /nfs/dbraw/zinc/24/68/54/635246854.db2.gz FZGUKNAFOLCTOE-JKSUJKDBSA-N 2 1 290.407 2.037 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903752414 635249385 /nfs/dbraw/zinc/24/93/85/635249385.db2.gz NTATYIXGHNMJMT-VWYCJHECSA-N 2 1 282.350 2.449 20 0 CEADMP CC(C)[N@H+](Cc1ccccn1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903737862 635251326 /nfs/dbraw/zinc/25/13/26/635251326.db2.gz WOSKWCJSSJVHOB-IRXDYDNUSA-N 2 1 289.423 2.061 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C[C@@H]1C[NH3+] ZINC000903760478 635256274 /nfs/dbraw/zinc/25/62/74/635256274.db2.gz XFQLXROCABHBFT-MROQNXINSA-N 2 1 294.361 2.403 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C[C@@H]1C[NH3+] ZINC000903760478 635256275 /nfs/dbraw/zinc/25/62/75/635256275.db2.gz XFQLXROCABHBFT-MROQNXINSA-N 2 1 294.361 2.403 20 0 CEADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903774901 635264756 /nfs/dbraw/zinc/26/47/56/635264756.db2.gz BHQFWSDOIAYZSW-MAMSXEDKSA-N 2 1 278.440 2.433 20 0 CEADMP Cc1noc([C@@H](C)[NH+]2CCC(C(C)(C)C[NH3+])CC2)n1 ZINC000903788829 635270722 /nfs/dbraw/zinc/27/07/22/635270722.db2.gz HYBWGBVFKQIEJV-SNVBAGLBSA-N 2 1 266.389 2.136 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCO[C@H]2CC2(F)F)CCC1 ZINC000903813225 635288296 /nfs/dbraw/zinc/28/82/96/635288296.db2.gz ZIGHBYRTWABYEW-OLZOCXBDSA-N 2 1 288.382 2.394 20 0 CEADMP Cc1cccc(C)c1C[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903827801 635294785 /nfs/dbraw/zinc/29/47/85/635294785.db2.gz XKIHKADFJUJGPX-HNNXBMFYSA-N 2 1 274.408 2.114 20 0 CEADMP c1csc(C[C@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)n1 ZINC000903831590 635296653 /nfs/dbraw/zinc/29/66/53/635296653.db2.gz KGYURBLAZAZTHP-ZIAGYGMSSA-N 2 1 279.453 2.397 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccnc(Cl)c1)C2 ZINC000903843579 635302088 /nfs/dbraw/zinc/30/20/88/635302088.db2.gz NSFVEZMJFOYWTP-SRVKXCTJSA-N 2 1 251.761 2.047 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccnc(Cl)c1)C2 ZINC000903843579 635302089 /nfs/dbraw/zinc/30/20/89/635302089.db2.gz NSFVEZMJFOYWTP-SRVKXCTJSA-N 2 1 251.761 2.047 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cnn(-c3ccccc3)c1)C2 ZINC000903847850 635303036 /nfs/dbraw/zinc/30/30/36/635303036.db2.gz LUPQVLHWYRCUIZ-QRTARXTBSA-N 2 1 282.391 2.184 20 0 CEADMP CC1(C)CCC[C@H](C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])O1 ZINC000903860429 635311981 /nfs/dbraw/zinc/31/19/81/635311981.db2.gz RNVHUSCHKBMANJ-UMVBOHGHSA-N 2 1 252.402 2.147 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])O1 ZINC000903860429 635311984 /nfs/dbraw/zinc/31/19/84/635311984.db2.gz RNVHUSCHKBMANJ-UMVBOHGHSA-N 2 1 252.402 2.147 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCOCc1ccccc1 ZINC000903860950 635312383 /nfs/dbraw/zinc/31/23/83/635312383.db2.gz VCHFILSGSFKKIX-HZPDHXFCSA-N 2 1 260.381 2.016 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCOCc1ccccc1 ZINC000903860950 635312389 /nfs/dbraw/zinc/31/23/89/635312389.db2.gz VCHFILSGSFKKIX-HZPDHXFCSA-N 2 1 260.381 2.016 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCCC[C@@H](N2CCCC2)C1 ZINC000903888408 635315029 /nfs/dbraw/zinc/31/50/29/635315029.db2.gz BDKJTPLAGDTDOV-HQSKLWIPSA-N 2 1 291.483 2.467 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000903888408 635315032 /nfs/dbraw/zinc/31/50/32/635315032.db2.gz BDKJTPLAGDTDOV-HQSKLWIPSA-N 2 1 291.483 2.467 20 0 CEADMP CCC1(CC)CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903892357 635329506 /nfs/dbraw/zinc/32/95/06/635329506.db2.gz HTELQCGRNNXLQS-CQSZACIVSA-N 2 1 291.443 2.215 20 0 CEADMP CC[C@@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903895584 635332612 /nfs/dbraw/zinc/33/26/12/635332612.db2.gz OOXOWGIXZAJVAL-CABCVRRESA-N 2 1 291.443 2.215 20 0 CEADMP Cc1c(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)cnn1C ZINC000903918467 635347925 /nfs/dbraw/zinc/34/79/25/635347925.db2.gz ZYQKJTGCWVBYTI-UHFFFAOYSA-N 2 1 284.407 2.006 20 0 CEADMP COc1cccc(OCCC[NH2+]C[C@@H]([NH3+])CC(F)F)c1 ZINC000903922533 635349660 /nfs/dbraw/zinc/34/96/60/635349660.db2.gz YXGBLFQDLYVMTB-NSHDSACASA-N 2 1 288.338 2.036 20 0 CEADMP CC(C)([NH3+])CC[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000903938764 635363526 /nfs/dbraw/zinc/36/35/26/635363526.db2.gz JLQFEPKVGSTQGT-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP CCC[C@]1(CO)CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903916155 635365467 /nfs/dbraw/zinc/36/54/67/635365467.db2.gz QYIINYNCMQPMSJ-GOSISDBHSA-N 2 1 288.435 2.459 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000903918291 635366536 /nfs/dbraw/zinc/36/65/36/635366536.db2.gz WHEPCAQLWSMEQX-VFGIFXOCSA-N 3 1 291.483 2.229 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000903947078 635378975 /nfs/dbraw/zinc/37/89/75/635378975.db2.gz NCYNPJQGADHSSP-UHFFFAOYSA-N 2 1 276.380 2.161 20 0 CEADMP CCC1([NH3+])CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903948149 635381248 /nfs/dbraw/zinc/38/12/48/635381248.db2.gz LTHHMEYVIUDHEV-UHFFFAOYSA-N 2 1 273.424 2.036 20 0 CEADMP CCC[C@@H](C)C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973979 635392086 /nfs/dbraw/zinc/39/20/86/635392086.db2.gz RKFWMIYBKPGBHT-KGLIPLIRSA-N 2 1 254.418 2.171 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nccn2-c2ccccc2)C[C@H]1CC[NH3+] ZINC000903978182 635394889 /nfs/dbraw/zinc/39/48/89/635394889.db2.gz IWIDAGPQJVJBHO-HUUCEWRRSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000903968341 635401016 /nfs/dbraw/zinc/40/10/16/635401016.db2.gz TWRQFEYCHYCXFJ-DFGXFYAUSA-N 3 1 293.499 2.475 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000903968009 635401186 /nfs/dbraw/zinc/40/11/86/635401186.db2.gz OXXBIJWCAZOXMK-DFGXFYAUSA-N 3 1 293.499 2.475 20 0 CEADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1COc2ccccc2O1 ZINC000904311840 635559801 /nfs/dbraw/zinc/55/98/01/635559801.db2.gz IIJUQJXBPGNEEA-QLFBSQMISA-N 2 1 290.407 2.276 20 0 CEADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000904322341 635568927 /nfs/dbraw/zinc/56/89/27/635568927.db2.gz ARVOBIFMLKUWMK-XLWJZTARSA-N 2 1 266.429 2.249 20 0 CEADMP CC(C)CO[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904327243 635573862 /nfs/dbraw/zinc/57/38/62/635573862.db2.gz AGLRYEWMQHMPKY-GJZGRUSLSA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@H]1CN(c2ccccc2)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904340314 635578719 /nfs/dbraw/zinc/57/87/19/635578719.db2.gz GXWJIZYNUYQRCX-XHSDSOJGSA-N 2 1 273.424 2.325 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@H](OCC3CC3)C2)CCC[NH2+]C1 ZINC000904340759 635578727 /nfs/dbraw/zinc/57/87/27/635578727.db2.gz CIHMEBWBXDKIOF-CVEARBPZSA-N 2 1 266.429 2.267 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904347150 635583154 /nfs/dbraw/zinc/58/31/54/635583154.db2.gz CYABBEFCHHIKPO-IAGOWNOFSA-N 2 1 296.455 2.287 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000904350246 635583794 /nfs/dbraw/zinc/58/37/94/635583794.db2.gz JHVYAUKUQDCBKT-ROUUACIJSA-N 3 1 287.451 2.357 20 0 CEADMP [NH3+]Cc1ccc(CN[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000904353803 635585268 /nfs/dbraw/zinc/58/52/68/635585268.db2.gz RMINKDVESAGXDG-MRXNPFEDSA-N 2 1 261.413 2.143 20 0 CEADMP [NH3+]Cc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000904353803 635585272 /nfs/dbraw/zinc/58/52/72/635585272.db2.gz RMINKDVESAGXDG-MRXNPFEDSA-N 3 1 261.413 2.143 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]1CC[NH3+] ZINC000904388549 635597903 /nfs/dbraw/zinc/59/79/03/635597903.db2.gz KCJRASBKRLMBFT-MCIONIFRSA-N 2 1 255.450 2.057 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H](N)CCC(C)(C)C)C[C@H]1CC[NH3+] ZINC000904388549 635597904 /nfs/dbraw/zinc/59/79/04/635597904.db2.gz KCJRASBKRLMBFT-MCIONIFRSA-N 2 1 255.450 2.057 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H](N)CCC(C)(C)C)C[C@H]1CC[NH3+] ZINC000904388549 635597908 /nfs/dbraw/zinc/59/79/08/635597908.db2.gz KCJRASBKRLMBFT-MCIONIFRSA-N 2 1 255.450 2.057 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC000904377536 635603416 /nfs/dbraw/zinc/60/34/16/635603416.db2.gz RYWWNJGDVPBWSW-IRXDYDNUSA-N 3 1 279.472 2.088 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000904405530 635612465 /nfs/dbraw/zinc/61/24/65/635612465.db2.gz NEFMQPYEENMDBP-GFCCVEGCSA-N 2 1 288.420 2.376 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c(-c2ccccc2)n1 ZINC000904406916 635613783 /nfs/dbraw/zinc/61/37/83/635613783.db2.gz WYDMPTOQISYPGH-CQSZACIVSA-N 2 1 284.407 2.258 20 0 CEADMP Cc1ncc(C[N@H+]2CC[C@@H](CC[NH3+])C2)n1-c1ccccc1 ZINC000904406345 635614025 /nfs/dbraw/zinc/61/40/25/635614025.db2.gz QHVOXHBFZWVVKB-OAHLLOKOSA-N 2 1 284.407 2.351 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCO3)CC[C@@H]1C[NH3+] ZINC000904412034 635620198 /nfs/dbraw/zinc/62/01/98/635620198.db2.gz ZVUFCRDPLZTDTO-XJKSGUPXSA-N 2 1 274.408 2.428 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000904412264 635620331 /nfs/dbraw/zinc/62/03/31/635620331.db2.gz RCSHOKYUCCCJPQ-HIFRSBDPSA-N 2 1 262.397 2.420 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1OC ZINC000904412099 635620589 /nfs/dbraw/zinc/62/05/89/635620589.db2.gz PULNCFZBHVGCIB-QWHCGFSZSA-N 2 1 278.396 2.121 20 0 CEADMP C[C@]1(C[NH+]2CCC(CO)(C(F)(F)F)CC2)CCC[NH2+]C1 ZINC000904429063 635624339 /nfs/dbraw/zinc/62/43/39/635624339.db2.gz WAKMCDROFAVUGA-LBPRGKRZSA-N 2 1 294.361 2.013 20 0 CEADMP COC1(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CCCC1 ZINC000904430263 635625877 /nfs/dbraw/zinc/62/58/77/635625877.db2.gz QHDQJSXOUOOHPY-CQSZACIVSA-N 2 1 252.402 2.164 20 0 CEADMP COC1(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CCCC1 ZINC000904430263 635625882 /nfs/dbraw/zinc/62/58/82/635625882.db2.gz QHDQJSXOUOOHPY-CQSZACIVSA-N 2 1 252.402 2.164 20 0 CEADMP CCc1onc(C)c1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904434595 635628786 /nfs/dbraw/zinc/62/87/86/635628786.db2.gz WKHMZSHOKOLLKA-CQSZACIVSA-N 2 1 251.374 2.025 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000904450948 635642200 /nfs/dbraw/zinc/64/22/00/635642200.db2.gz USWREUOZRIYFLZ-UHFFFAOYSA-N 2 1 283.375 2.242 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000905392542 636269426 /nfs/dbraw/zinc/26/94/26/636269426.db2.gz UMYJIVCUDLGDPO-MRXNPFEDSA-N 2 1 297.487 2.343 20 0 CEADMP CCc1cc(N2CCCC[C@]3(CC[NH2+]C3)C2)nc(C)[nH+]1 ZINC000905680429 636392138 /nfs/dbraw/zinc/39/21/38/636392138.db2.gz GWQYKIVQZKPXJW-MRXNPFEDSA-N 2 1 274.412 2.317 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@@](O)(CC)C(F)(F)F)CC1 ZINC000905883951 636511851 /nfs/dbraw/zinc/51/18/51/636511851.db2.gz LTKKWBYYSWVULF-LBPRGKRZSA-N 2 1 282.350 2.154 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC000906508728 636760924 /nfs/dbraw/zinc/76/09/24/636760924.db2.gz WVQJYZUENDXHIK-MGCOHNPYSA-N 2 1 273.149 2.168 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC)C1 ZINC000906645057 636809895 /nfs/dbraw/zinc/80/98/95/636809895.db2.gz QVLGJORBCVUEKH-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000906645057 636809901 /nfs/dbraw/zinc/80/99/01/636809901.db2.gz QVLGJORBCVUEKH-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC)C1 ZINC000906645057 636809907 /nfs/dbraw/zinc/80/99/07/636809907.db2.gz QVLGJORBCVUEKH-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCC[NH+](CC)CC)C1 ZINC000906674172 636817697 /nfs/dbraw/zinc/81/76/97/636817697.db2.gz SQYBPALWSIXLRH-MRXNPFEDSA-N 2 1 297.487 2.347 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000907430930 637021794 /nfs/dbraw/zinc/02/17/94/637021794.db2.gz CKQMQWUGHPXDOC-HNNXBMFYSA-N 2 1 295.471 2.240 20 0 CEADMP COc1cnc(F)c(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000876631865 650368238 /nfs/dbraw/zinc/36/82/38/650368238.db2.gz NLNHMCDBYCQGIK-UHFFFAOYSA-N 2 1 295.402 2.393 20 0 CEADMP C[N@@H+](CCCC[NH2+]C1CCC2(CC1)OCCO2)C1CC1 ZINC000834908156 637984760 /nfs/dbraw/zinc/98/47/60/637984760.db2.gz HGOJDDOYUWRPOI-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000911856322 638446417 /nfs/dbraw/zinc/44/64/17/638446417.db2.gz PHCKPVJRBIYBPK-CJNGLKHVSA-N 2 1 289.423 2.195 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000912281732 638629028 /nfs/dbraw/zinc/62/90/28/638629028.db2.gz BYQMLGAGIRSWGY-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000912281732 638629031 /nfs/dbraw/zinc/62/90/31/638629031.db2.gz BYQMLGAGIRSWGY-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000912281732 638629032 /nfs/dbraw/zinc/62/90/32/638629032.db2.gz BYQMLGAGIRSWGY-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC000836948595 638755223 /nfs/dbraw/zinc/75/52/23/638755223.db2.gz RURXGKLRUYOXDU-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CC[N@@H+](CC(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C)C1CC1 ZINC000912809151 639025812 /nfs/dbraw/zinc/02/58/12/639025812.db2.gz DIBNLZGOXMDYHB-ZBFHGGJFSA-N 2 1 295.471 2.050 20 0 CEADMP c1cnc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000226813357 639565362 /nfs/dbraw/zinc/56/53/62/639565362.db2.gz NERKHOCKICJXHT-DOMZBBRYSA-N 2 1 257.381 2.143 20 0 CEADMP c1cnc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000226813357 639565366 /nfs/dbraw/zinc/56/53/66/639565366.db2.gz NERKHOCKICJXHT-DOMZBBRYSA-N 2 1 257.381 2.143 20 0 CEADMP Cc1cc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000075669019 639586390 /nfs/dbraw/zinc/58/63/90/639586390.db2.gz UHCWLMUTKGRPSV-OAHLLOKOSA-N 2 1 297.406 2.444 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCSC(F)(F)F)C[C@H]21 ZINC000228757088 639657192 /nfs/dbraw/zinc/65/71/92/639657192.db2.gz KGSLVRUQUDURJH-OPRDCNLKSA-N 2 1 268.348 2.299 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@H](C)C[NH+]2CCCC2)CC1 ZINC000062077964 639735123 /nfs/dbraw/zinc/73/51/23/639735123.db2.gz NGZQQYHHMUIHMX-HNNXBMFYSA-N 3 1 267.461 2.181 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@](C)(O)c1ccccc1 ZINC000063121332 639829261 /nfs/dbraw/zinc/82/92/61/639829261.db2.gz XMBJENILZIGLDV-KRWDZBQOSA-N 2 1 276.424 2.168 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000842475260 639977867 /nfs/dbraw/zinc/97/78/67/639977867.db2.gz OFBGIKMLLHHONY-KRWDZBQOSA-N 2 1 274.408 2.449 20 0 CEADMP Cc1ccc(OCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000842475260 639977870 /nfs/dbraw/zinc/97/78/70/639977870.db2.gz OFBGIKMLLHHONY-KRWDZBQOSA-N 2 1 274.408 2.449 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000088868433 640020986 /nfs/dbraw/zinc/02/09/86/640020986.db2.gz GVTMNQYOSXEUIT-SKDRFNHKSA-N 2 1 253.415 2.319 20 0 CEADMP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cnn(-c2ccccc2)n1 ZINC000842471499 640070760 /nfs/dbraw/zinc/07/07/60/640070760.db2.gz FQTUMNJJSCUPOG-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cnn(-c2ccccc2)n1 ZINC000842471499 640070772 /nfs/dbraw/zinc/07/07/72/640070772.db2.gz FQTUMNJJSCUPOG-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC2(Cl)Cl)CC[N@H+]1C ZINC000877070603 650558810 /nfs/dbraw/zinc/55/88/10/650558810.db2.gz QTXSVDNKTRJVOR-KXUCPTDWSA-N 2 1 251.201 2.253 20 0 CEADMP CCC[N@@H+](Cc1ccc(-n2ccnc2)nc1)C1CC[NH2+]CC1 ZINC000843045639 640250822 /nfs/dbraw/zinc/25/08/22/640250822.db2.gz YTVPYSSQNLYISM-UHFFFAOYSA-N 2 1 299.422 2.231 20 0 CEADMP [NH3+]CCCCCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000843343205 640395418 /nfs/dbraw/zinc/39/54/18/640395418.db2.gz WYHQFTCPXSHMEN-AWEZNQCLSA-N 2 1 273.384 2.003 20 0 CEADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354969 640401101 /nfs/dbraw/zinc/40/11/01/640401101.db2.gz HIMOTGNSXPLFQX-LMPOIIKSSA-N 2 1 295.471 2.225 20 0 CEADMP CCCCCCNC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000843358464 640403029 /nfs/dbraw/zinc/40/30/29/640403029.db2.gz BJBNONCNIDWICY-HNNXBMFYSA-N 2 1 283.460 2.004 20 0 CEADMP CCCOC(=O)[C@@H](C)[N@H+](CCC[NH3+])CC1CCCC1 ZINC000843384903 640412441 /nfs/dbraw/zinc/41/24/41/640412441.db2.gz HFNNROHSGHTGJS-CYBMUJFWSA-N 2 1 270.417 2.169 20 0 CEADMP CCCOC(=O)[C@@H](C)[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000843384903 640412447 /nfs/dbraw/zinc/41/24/47/640412447.db2.gz HFNNROHSGHTGJS-CYBMUJFWSA-N 2 1 270.417 2.169 20 0 CEADMP Cc1ccc([C@@H](C)[N@H+](C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000915688955 640601711 /nfs/dbraw/zinc/60/17/11/640601711.db2.gz AFGCRINVOIACBN-WBVHZDCISA-N 2 1 276.424 2.445 20 0 CEADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000915688955 640601714 /nfs/dbraw/zinc/60/17/14/640601714.db2.gz AFGCRINVOIACBN-WBVHZDCISA-N 2 1 276.424 2.445 20 0 CEADMP Cn1cc(C[C@H]2CC[N@@H+](CCCCCCC[NH3+])C2)cn1 ZINC000844221456 640636096 /nfs/dbraw/zinc/63/60/96/640636096.db2.gz NFYYSMGPILSZTK-OAHLLOKOSA-N 2 1 278.444 2.194 20 0 CEADMP CCCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993758186 640674484 /nfs/dbraw/zinc/67/44/84/640674484.db2.gz ICGFABJULYIEGS-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000930059839 641013456 /nfs/dbraw/zinc/01/34/56/641013456.db2.gz HBIJNXCJBLJSAJ-DGADGQDISA-N 2 1 266.429 2.216 20 0 CEADMP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925474933 641100195 /nfs/dbraw/zinc/10/01/95/641100195.db2.gz SMRFHVGQMRPHLA-BBRMVZONSA-N 2 1 295.471 2.144 20 0 CEADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000925475500 641102988 /nfs/dbraw/zinc/10/29/88/641102988.db2.gz UOVCFVQIFRUVMI-HOCLYGCPSA-N 3 1 279.472 2.356 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@](C)(O)c2ccccc2)CC1 ZINC000846033963 641158052 /nfs/dbraw/zinc/15/80/52/641158052.db2.gz CBBSACGWXYXJLS-RHSMWYFYSA-N 2 1 276.424 2.357 20 0 CEADMP C[C@H]1CCC[N@@H+](CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000920762921 641197964 /nfs/dbraw/zinc/19/79/64/641197964.db2.gz NLLYVVYYZIIHBI-INIZCTEOSA-N 2 1 295.471 2.101 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])[C@@H]1CCN(c2ccccc2)C1=O ZINC000846218682 641227761 /nfs/dbraw/zinc/22/77/61/641227761.db2.gz WAMGYHPRWVMFSC-MRXNPFEDSA-N 2 1 289.423 2.243 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCC[NH3+])[C@H](C)C1 ZINC000846220622 641229415 /nfs/dbraw/zinc/22/94/15/641229415.db2.gz SFDNAPIZCYKPTQ-CABCVRRESA-N 3 1 255.450 2.168 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCC[NH3+])[C@H](C)C1 ZINC000846220622 641229421 /nfs/dbraw/zinc/22/94/21/641229421.db2.gz SFDNAPIZCYKPTQ-CABCVRRESA-N 3 1 255.450 2.168 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCC[NH3+])[C@H](C)C1 ZINC000846220622 641229427 /nfs/dbraw/zinc/22/94/27/641229427.db2.gz SFDNAPIZCYKPTQ-CABCVRRESA-N 3 1 255.450 2.168 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CCCCCC[NH3+])[C@H](C)C1 ZINC000846220622 641229430 /nfs/dbraw/zinc/22/94/30/641229430.db2.gz SFDNAPIZCYKPTQ-CABCVRRESA-N 2 1 255.450 2.168 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CCCCCC[NH3+])[C@H](C)C1 ZINC000846220622 641229435 /nfs/dbraw/zinc/22/94/35/641229435.db2.gz SFDNAPIZCYKPTQ-CABCVRRESA-N 2 1 255.450 2.168 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846220216 641229734 /nfs/dbraw/zinc/22/97/34/641229734.db2.gz KYYCAAUBZHLFHL-OAHLLOKOSA-N 3 1 255.450 2.169 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CCNC[C@@H]1c1ccccc1 ZINC000846224522 641233224 /nfs/dbraw/zinc/23/32/24/641233224.db2.gz ZGSCFDWBRHLXES-MRXNPFEDSA-N 2 1 261.413 2.152 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCNC[C@@H]1c1ccccc1 ZINC000846224522 641233234 /nfs/dbraw/zinc/23/32/34/641233234.db2.gz ZGSCFDWBRHLXES-MRXNPFEDSA-N 2 1 261.413 2.152 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3nonc3c2)[C@@H](C)C1 ZINC000846828341 641441999 /nfs/dbraw/zinc/44/19/99/641441999.db2.gz KLDYRWCMJSJIRQ-LRDDRELGSA-N 2 1 288.395 2.385 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3nonc3c2)[C@@H](C)C1 ZINC000846828341 641442007 /nfs/dbraw/zinc/44/20/07/641442007.db2.gz KLDYRWCMJSJIRQ-LRDDRELGSA-N 2 1 288.395 2.385 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3nonc3c2)[C@@H](C)C1 ZINC000846828341 641442010 /nfs/dbraw/zinc/44/20/10/641442010.db2.gz KLDYRWCMJSJIRQ-LRDDRELGSA-N 2 1 288.395 2.385 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000847087416 641563573 /nfs/dbraw/zinc/56/35/73/641563573.db2.gz BLYOKEIDGVZGTG-IAGOWNOFSA-N 2 1 280.456 2.488 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000847087416 641563575 /nfs/dbraw/zinc/56/35/75/641563575.db2.gz BLYOKEIDGVZGTG-IAGOWNOFSA-N 2 1 280.456 2.488 20 0 CEADMP Cc1nc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cs1 ZINC000070542764 641676512 /nfs/dbraw/zinc/67/65/12/641676512.db2.gz ABYMLJBMZVZFEY-UHFFFAOYSA-N 2 1 261.394 2.243 20 0 CEADMP C[C@@H]1C[C@H]1C(N)=[NH+]OCC[N@H+](C)Cc1ccccc1 ZINC000848518087 642024881 /nfs/dbraw/zinc/02/48/81/642024881.db2.gz GSECKLJMZKUKBY-TZMCWYRMSA-N 2 1 261.369 2.273 20 0 CEADMP C[C@@H]1C[C@H]1C(N)=[NH+]OCC[N@@H+](C)Cc1ccccc1 ZINC000848518087 642024884 /nfs/dbraw/zinc/02/48/84/642024884.db2.gz GSECKLJMZKUKBY-TZMCWYRMSA-N 2 1 261.369 2.273 20 0 CEADMP Cn1c(C[NH2+]CC2(C[NH+](C)C)CCCC2)cnc1Cl ZINC000848547903 642047076 /nfs/dbraw/zinc/04/70/76/642047076.db2.gz WMPDZSOYVZYELJ-UHFFFAOYSA-N 2 1 284.835 2.285 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+]Cc2c3c(nn2C)CCC3)CC1 ZINC000921519793 642189323 /nfs/dbraw/zinc/18/93/23/642189323.db2.gz PKMFRSLAIGWDNQ-UHFFFAOYSA-N 2 1 290.455 2.119 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1ccccc1 ZINC000848981355 642203669 /nfs/dbraw/zinc/20/36/69/642203669.db2.gz HAKQJSGQCTWSHS-GDBMZVCRSA-N 2 1 288.439 2.388 20 0 CEADMP c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)n(C2CCC2)n1 ZINC000921527873 642206695 /nfs/dbraw/zinc/20/66/95/642206695.db2.gz PHBUHVDCNZRHKX-ZDUSSCGKSA-N 2 1 274.412 2.182 20 0 CEADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)n(C2CCC2)n1 ZINC000921527873 642206698 /nfs/dbraw/zinc/20/66/98/642206698.db2.gz PHBUHVDCNZRHKX-ZDUSSCGKSA-N 2 1 274.412 2.182 20 0 CEADMP C[C@H](CNC(=[NH2+])NC1CCCC1)[N@H+]1CCCC[C@@H]1C ZINC000848986862 642209010 /nfs/dbraw/zinc/20/90/10/642209010.db2.gz IOIYURZZYOZAAZ-QWHCGFSZSA-N 2 1 266.433 2.306 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NCc2ccc(C)cc2)C1 ZINC000848997639 642216922 /nfs/dbraw/zinc/21/69/22/642216922.db2.gz WEACXPYPLXSCOO-INIZCTEOSA-N 2 1 288.439 2.341 20 0 CEADMP CCCCCCNC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 ZINC000849004133 642221073 /nfs/dbraw/zinc/22/10/73/642221073.db2.gz AHGZRKBGFCSKEC-CYBMUJFWSA-N 2 1 254.422 2.022 20 0 CEADMP c1nn(C2CCC2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000921547141 642228736 /nfs/dbraw/zinc/22/87/36/642228736.db2.gz IJKDGCAPLDMFQL-HOCLYGCPSA-N 2 1 274.412 2.325 20 0 CEADMP c1nn(C2CCC2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000921547141 642228746 /nfs/dbraw/zinc/22/87/46/642228746.db2.gz IJKDGCAPLDMFQL-HOCLYGCPSA-N 2 1 274.412 2.325 20 0 CEADMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])N2CCCCCC2)C1 ZINC000849041918 642252633 /nfs/dbraw/zinc/25/26/33/642252633.db2.gz ZVSFUOANLQIOES-CQSZACIVSA-N 2 1 266.433 2.119 20 0 CEADMP Cc1cc(C)cc(NC(=[NH2+])NCC2([NH+](C)C)CC2)c1 ZINC000849043469 642253091 /nfs/dbraw/zinc/25/30/91/642253091.db2.gz MMQRGLBQKFZROT-UHFFFAOYSA-N 2 1 260.385 2.334 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1CC(C)(C)C ZINC000849046484 642255838 /nfs/dbraw/zinc/25/58/38/642255838.db2.gz HGMJNTFNBHMAGX-BFHYXJOUSA-N 2 1 280.460 2.409 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000921617920 642264699 /nfs/dbraw/zinc/26/46/99/642264699.db2.gz GRCYBDICCKVAKT-CYBMUJFWSA-N 2 1 264.417 2.113 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921625013 642285813 /nfs/dbraw/zinc/28/58/13/642285813.db2.gz OCNIHAPWWLRSQD-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921625013 642285816 /nfs/dbraw/zinc/28/58/16/642285816.db2.gz OCNIHAPWWLRSQD-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H]2CC2(Cl)Cl)CCCO1 ZINC000877478959 650740599 /nfs/dbraw/zinc/74/05/99/650740599.db2.gz SNPCQYJCUGVIOQ-NWDGAFQWSA-N 2 1 295.254 2.271 20 0 CEADMP CCC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998901567 642448449 /nfs/dbraw/zinc/44/84/49/642448449.db2.gz NPIIXTIBJGDSLY-PCKAHOCUSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)C[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999403648 642487348 /nfs/dbraw/zinc/48/73/48/642487348.db2.gz XEYIQCXYRSWJBC-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1F ZINC000166048445 642620760 /nfs/dbraw/zinc/62/07/60/642620760.db2.gz AWGNCXYKSWFOFJ-GFCCVEGCSA-N 2 1 266.360 2.395 20 0 CEADMP CCOC(=O)NC1CCC([NH2+]CC[N@H+](C)[C@H](C)CC)CC1 ZINC000850432209 642710278 /nfs/dbraw/zinc/71/02/78/642710278.db2.gz UJBPIPKDTKNBSE-WLYUNCDWSA-N 2 1 299.459 2.364 20 0 CEADMP CCOC(=O)NC1CCC([NH2+]CC[N@@H+](C)[C@H](C)CC)CC1 ZINC000850432209 642710279 /nfs/dbraw/zinc/71/02/79/642710279.db2.gz UJBPIPKDTKNBSE-WLYUNCDWSA-N 2 1 299.459 2.364 20 0 CEADMP CCC[N@H+](CC)CC[NH2+]C1CCC(NC(=O)OCC)CC1 ZINC000850437981 642712558 /nfs/dbraw/zinc/71/25/58/642712558.db2.gz BQQQFZZULWDVFL-UHFFFAOYSA-N 2 1 299.459 2.365 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+]C1CCC(NC(=O)OCC)CC1 ZINC000850437981 642712561 /nfs/dbraw/zinc/71/25/61/642712561.db2.gz BQQQFZZULWDVFL-UHFFFAOYSA-N 2 1 299.459 2.365 20 0 CEADMP Cc1nc(C)c(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000685566182 642768501 /nfs/dbraw/zinc/76/85/01/642768501.db2.gz OHAJSSCNHXIMLB-MFKMUULPSA-N 2 1 251.374 2.206 20 0 CEADMP O=c1[nH]c2cccc(C[NH2+]C[C@H]3CCn4cc[nH+]c4C3)c2o1 ZINC000922064659 642862554 /nfs/dbraw/zinc/86/25/54/642862554.db2.gz YMDOGLKPRUZDCE-NSHDSACASA-N 2 1 298.346 2.082 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1ccc(Cl)nn1)C1CC1 ZINC000877577950 650797441 /nfs/dbraw/zinc/79/74/41/650797441.db2.gz ORYAEBCJCUVYEA-UHFFFAOYSA-N 2 1 268.792 2.094 20 0 CEADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000851784170 643160505 /nfs/dbraw/zinc/16/05/05/643160505.db2.gz HSOZEKLOVVXZNW-HRCADAONSA-N 2 1 266.429 2.362 20 0 CEADMP CCO[C@H](C[NH2+]C1C[C@@H](C)C[C@H](C)C1)C[NH+](C)C ZINC000922757254 643248225 /nfs/dbraw/zinc/24/82/25/643248225.db2.gz CZCMEBNZNZTLKS-KCQAQPDRSA-N 2 1 256.434 2.367 20 0 CEADMP FC(F)OCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000852000230 643259637 /nfs/dbraw/zinc/25/96/37/643259637.db2.gz UTRFCFJWASKCFH-GASCZTMLSA-N 2 1 296.361 2.289 20 0 CEADMP ClC1(Cl)C[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000877636056 650827104 /nfs/dbraw/zinc/82/71/04/650827104.db2.gz LGHBRRFRTBGEHC-ZYHUDNBSSA-N 2 1 293.238 2.023 20 0 CEADMP Cc1ccc([C@@H](O)C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000852108574 643311543 /nfs/dbraw/zinc/31/15/43/643311543.db2.gz HTNUGINYXKNDBL-ZWKOTPCHSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000852108574 643311550 /nfs/dbraw/zinc/31/15/50/643311550.db2.gz HTNUGINYXKNDBL-ZWKOTPCHSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000852108574 643311554 /nfs/dbraw/zinc/31/15/54/643311554.db2.gz HTNUGINYXKNDBL-ZWKOTPCHSA-N 2 1 288.435 2.446 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCO[C@@H](C)C1 ZINC000877664814 650840887 /nfs/dbraw/zinc/84/08/87/650840887.db2.gz XVTWLYHBBOZVMN-RDJZCZTQSA-N 2 1 298.471 2.092 20 0 CEADMP COC[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)C(C)C ZINC000922949980 643475629 /nfs/dbraw/zinc/47/56/29/643475629.db2.gz ZFQLRWFADVOGEB-AWEZNQCLSA-N 2 1 265.401 2.156 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CCCC1 ZINC000852750799 643534788 /nfs/dbraw/zinc/53/47/88/643534788.db2.gz GRBNYWSULPDOJQ-HUUCEWRRSA-N 2 1 252.402 2.020 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@]2(CCC[NH2+]2)C1)C1CCCC1 ZINC000852750799 643534789 /nfs/dbraw/zinc/53/47/89/643534789.db2.gz GRBNYWSULPDOJQ-HUUCEWRRSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@H]1C[N@@H+](CCC2SCCS2)CC[C@@H]1[NH3+] ZINC000853022896 643624090 /nfs/dbraw/zinc/62/40/90/643624090.db2.gz GZQCQISEUBRRCD-QWRGUYRKSA-N 2 1 260.472 2.242 20 0 CEADMP O[C@@H](C[N@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000923282468 643638741 /nfs/dbraw/zinc/63/87/41/643638741.db2.gz SBNVSAVHMPKCGR-INIZCTEOSA-N 2 1 296.361 2.215 20 0 CEADMP O[C@@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000923282468 643638742 /nfs/dbraw/zinc/63/87/42/643638742.db2.gz SBNVSAVHMPKCGR-INIZCTEOSA-N 2 1 296.361 2.215 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923282649 643638829 /nfs/dbraw/zinc/63/88/29/643638829.db2.gz XRQUDCHGZIYCFF-TVQRCGJNSA-N 2 1 289.206 2.307 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923282649 643638830 /nfs/dbraw/zinc/63/88/30/643638830.db2.gz XRQUDCHGZIYCFF-TVQRCGJNSA-N 2 1 289.206 2.307 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000923288917 643641777 /nfs/dbraw/zinc/64/17/77/643641777.db2.gz MNXQYBFMUBXXNA-ITDIGPHOSA-N 2 1 284.350 2.057 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000923288917 643641782 /nfs/dbraw/zinc/64/17/82/643641782.db2.gz MNXQYBFMUBXXNA-ITDIGPHOSA-N 2 1 284.350 2.057 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923289687 643642932 /nfs/dbraw/zinc/64/29/32/643642932.db2.gz JLUDKRXXEWROQC-VQIMIIECSA-N 2 1 298.430 2.285 20 0 CEADMP Fc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923302317 643650595 /nfs/dbraw/zinc/65/05/95/643650595.db2.gz UYLUWHABTGIFDP-CVEARBPZSA-N 2 1 290.382 2.341 20 0 CEADMP CC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H](C)c1cccc(O)c1 ZINC000923306226 643652017 /nfs/dbraw/zinc/65/20/17/643652017.db2.gz IJNKYXTWWMTGDM-CZUORRHYSA-N 2 1 290.407 2.154 20 0 CEADMP CC(C)[N@H+](Cc1ccccc1F)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303772 643652318 /nfs/dbraw/zinc/65/23/18/643652318.db2.gz PWJNRDCILYKBNY-OAHLLOKOSA-N 2 1 292.398 2.415 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853097437 643652415 /nfs/dbraw/zinc/65/24/15/643652415.db2.gz AZEPJVBRQVUANC-WBVHZDCISA-N 2 1 291.439 2.217 20 0 CEADMP C[C@@H]1c2c(F)cccc2CC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315273 643654597 /nfs/dbraw/zinc/65/45/97/643654597.db2.gz FCEBPQPOKCBWHU-OCCSQVGLSA-N 2 1 290.382 2.123 20 0 CEADMP FC(F)(F)CC[N@@H+](CC1CC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923318502 643656451 /nfs/dbraw/zinc/65/64/51/643656451.db2.gz LNVHMPWIXPSQNO-GFCCVEGCSA-N 2 1 292.345 2.029 20 0 CEADMP O[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000923329900 643661410 /nfs/dbraw/zinc/66/14/10/643661410.db2.gz QYHFMLGHPFKWOP-KZNAEPCWSA-N 2 1 288.435 2.054 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H](O)c3ccc(F)cc3Cl)C[C@H]12 ZINC000923333722 643665771 /nfs/dbraw/zinc/66/57/71/643665771.db2.gz RREALFOQMJAEMS-PWFWHMEDSA-N 2 1 298.789 2.182 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3Cl)C[C@H]12 ZINC000923333722 643665773 /nfs/dbraw/zinc/66/57/73/643665773.db2.gz RREALFOQMJAEMS-PWFWHMEDSA-N 2 1 298.789 2.182 20 0 CEADMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]CC1 ZINC000923335319 643667190 /nfs/dbraw/zinc/66/71/90/643667190.db2.gz KYCGINBCMPSXFK-NPYXIHBLSA-N 3 1 279.472 2.371 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000923349864 643673292 /nfs/dbraw/zinc/67/32/92/643673292.db2.gz XNQFWAKAXWVTKY-IAQYHMDHSA-N 2 1 284.350 2.059 20 0 CEADMP C[C@@H](O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923341527 643674263 /nfs/dbraw/zinc/67/42/63/643674263.db2.gz LYOANJVVIVUATM-OCCSQVGLSA-N 2 1 280.437 2.073 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000923344189 643675337 /nfs/dbraw/zinc/67/53/37/643675337.db2.gz FLABCXDJTFIDBK-ONERCXAPSA-N 2 1 284.350 2.057 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000923344189 643675341 /nfs/dbraw/zinc/67/53/41/643675341.db2.gz FLABCXDJTFIDBK-ONERCXAPSA-N 2 1 284.350 2.057 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000923344194 643675379 /nfs/dbraw/zinc/67/53/79/643675379.db2.gz FLABCXDJTFIDBK-WKPIXPDZSA-N 2 1 284.350 2.057 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000923344194 643675381 /nfs/dbraw/zinc/67/53/81/643675381.db2.gz FLABCXDJTFIDBK-WKPIXPDZSA-N 2 1 284.350 2.057 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923358525 643677302 /nfs/dbraw/zinc/67/73/02/643677302.db2.gz HXHQVIRGDFSDFC-KKUMJFAQSA-N 2 1 254.418 2.002 20 0 CEADMP CCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923355263 643678084 /nfs/dbraw/zinc/67/80/84/643678084.db2.gz IKSJQVCJMMGSKP-CVEARBPZSA-N 2 1 268.445 2.393 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000923363538 643679829 /nfs/dbraw/zinc/67/98/29/643679829.db2.gz ZWMJDMAWNJLHLH-QWHCGFSZSA-N 2 1 263.385 2.059 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923362219 643684257 /nfs/dbraw/zinc/68/42/57/643684257.db2.gz MAVONVHXWCNCCU-YESZJQIVSA-N 2 1 280.456 2.249 20 0 CEADMP CC(C)CC[C@@H](O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000923374935 643684842 /nfs/dbraw/zinc/68/48/42/643684842.db2.gz WGRIDZNKIDCAQX-CABCVRRESA-N 2 1 256.434 2.281 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)C1CCCCC1 ZINC000923374390 643685347 /nfs/dbraw/zinc/68/53/47/643685347.db2.gz STQDREIWENMADH-HOTGVXAUSA-N 2 1 268.445 2.425 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1C[NH3+] ZINC000923381628 643688531 /nfs/dbraw/zinc/68/85/31/643688531.db2.gz FTRIFYRWJUJQQB-JBBSTSQOSA-N 2 1 298.377 2.303 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)c2ccc(F)cc2F)C[C@H]1C[NH3+] ZINC000923381628 643688535 /nfs/dbraw/zinc/68/85/35/643688535.db2.gz FTRIFYRWJUJQQB-JBBSTSQOSA-N 2 1 298.377 2.303 20 0 CEADMP COc1ccc(C[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000923386032 643691497 /nfs/dbraw/zinc/69/14/97/643691497.db2.gz JQGFJSOREPUGRI-VHRNVKJDSA-N 2 1 289.423 2.443 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@@H](O)CCc2ccccc2)[C@H](C[NH3+])C1 ZINC000923387763 643692926 /nfs/dbraw/zinc/69/29/26/643692926.db2.gz FGQYEBLWKOHLCM-PVAVHDDUSA-N 2 1 276.424 2.039 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H](O)CCc2ccccc2)[C@H](C[NH3+])C1 ZINC000923387763 643692932 /nfs/dbraw/zinc/69/29/32/643692932.db2.gz FGQYEBLWKOHLCM-PVAVHDDUSA-N 2 1 276.424 2.039 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H](O)CCc2ccccc2)[C@@H]1CC[NH3+] ZINC000923389372 643693520 /nfs/dbraw/zinc/69/35/20/643693520.db2.gz XCAQRTHJEIETDC-KBAYOESNSA-N 2 1 290.451 2.429 20 0 CEADMP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C[C@@H]1C[NH3+] ZINC000923413227 643701078 /nfs/dbraw/zinc/70/10/78/643701078.db2.gz VCJTYAUOYAZRPG-BFVZDQMLSA-N 2 1 286.778 2.039 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C[C@@H]1C[NH3+] ZINC000923413227 643701082 /nfs/dbraw/zinc/70/10/82/643701082.db2.gz VCJTYAUOYAZRPG-BFVZDQMLSA-N 2 1 286.778 2.039 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2cccc(F)c2)C[C@H]1CC[NH3+] ZINC000923428348 643707289 /nfs/dbraw/zinc/70/72/89/643707289.db2.gz HPIBMBOODGUIFT-TZMCWYRMSA-N 2 1 250.361 2.285 20 0 CEADMP CC(=O)[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923421179 643709381 /nfs/dbraw/zinc/70/93/81/643709381.db2.gz OSDGRTIWBDNKLZ-PNRVRQOCSA-N 2 1 264.413 2.208 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000923478957 643730571 /nfs/dbraw/zinc/73/05/71/643730571.db2.gz KBNJVAWSMDAVCB-SNVBAGLBSA-N 2 1 254.761 2.216 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923480964 643731533 /nfs/dbraw/zinc/73/15/33/643731533.db2.gz NEVVGLPDJCFKEW-DOMZBBRYSA-N 2 1 266.360 2.184 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000923483250 643731980 /nfs/dbraw/zinc/73/19/80/643731980.db2.gz YAYSEYFNFGVXBS-CYBMUJFWSA-N 2 1 288.370 2.182 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CC[C@H]1C[NH3+] ZINC000923495763 643733703 /nfs/dbraw/zinc/73/37/03/643733703.db2.gz XOINQXJGEPMWGK-OCCSQVGLSA-N 2 1 260.381 2.134 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)CC[C@@H]1C[NH3+] ZINC000923495706 643734252 /nfs/dbraw/zinc/73/42/52/643734252.db2.gz FELZLCYHMRYDAT-GDBMZVCRSA-N 2 1 284.407 2.289 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)ccc1C ZINC000923488127 643735239 /nfs/dbraw/zinc/73/52/39/643735239.db2.gz DNZHKUGJIHMFTA-HIFRSBDPSA-N 2 1 290.407 2.198 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cn2)CC[C@@H]1C[NH3+] ZINC000923494051 643738471 /nfs/dbraw/zinc/73/84/71/643738471.db2.gz KFPNRYFSWNTWLJ-GHMZBOCLSA-N 2 1 253.777 2.152 20 0 CEADMP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(Cl)c2)CC[C@H]1C[NH3+] ZINC000923510386 643746290 /nfs/dbraw/zinc/74/62/90/643746290.db2.gz SSUGLLZIUGJNNS-RYUDHWBXSA-N 2 1 295.814 2.195 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)n1 ZINC000923524969 643750189 /nfs/dbraw/zinc/75/01/89/643750189.db2.gz BQVVMZIPWWHQRP-CHWSQXEVSA-N 2 1 290.411 2.274 20 0 CEADMP C[C@]1(Cc2cccs2)CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000923530706 643753531 /nfs/dbraw/zinc/75/35/31/643753531.db2.gz IBXAHKJSNPMTGT-MRXNPFEDSA-N 2 1 293.480 2.050 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCCC3CCOCC3)CC[C@H]21 ZINC000877742226 650885429 /nfs/dbraw/zinc/88/54/29/650885429.db2.gz OMUKANAHWRYJGW-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCCC3CCOCC3)CC[C@H]21 ZINC000877742226 650885432 /nfs/dbraw/zinc/88/54/32/650885432.db2.gz OMUKANAHWRYJGW-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCCC3CCOCC3)CC[C@H]21 ZINC000877742226 650885435 /nfs/dbraw/zinc/88/54/35/650885435.db2.gz OMUKANAHWRYJGW-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCC3CCOCC3)CC[C@H]21 ZINC000877742226 650885437 /nfs/dbraw/zinc/88/54/37/650885437.db2.gz OMUKANAHWRYJGW-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000838819541 644030274 /nfs/dbraw/zinc/03/02/74/644030274.db2.gz LZGDDJAKANARQL-UHFFFAOYSA-N 2 1 284.444 2.239 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000877742731 650886804 /nfs/dbraw/zinc/88/68/04/650886804.db2.gz GEGJXEMPMIXMEV-FUHWJXTLSA-N 2 1 296.418 2.398 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000877742731 650886806 /nfs/dbraw/zinc/88/68/06/650886806.db2.gz GEGJXEMPMIXMEV-FUHWJXTLSA-N 2 1 296.418 2.398 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000877742731 650886808 /nfs/dbraw/zinc/88/68/08/650886808.db2.gz GEGJXEMPMIXMEV-FUHWJXTLSA-N 2 1 296.418 2.398 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000877742731 650886809 /nfs/dbraw/zinc/88/68/09/650886809.db2.gz GEGJXEMPMIXMEV-FUHWJXTLSA-N 2 1 296.418 2.398 20 0 CEADMP C[N@@H+](C[C@@H](O)C1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000838859553 644051580 /nfs/dbraw/zinc/05/15/80/644051580.db2.gz LISXPYMAEFUHJV-FUHWJXTLSA-N 2 1 288.435 2.211 20 0 CEADMP c1ccc2c(c1)CCN2CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000838918498 644068621 /nfs/dbraw/zinc/06/86/21/644068621.db2.gz USQFTNIILHNJJG-UHFFFAOYSA-N 2 1 285.435 2.266 20 0 CEADMP Clc1cccc(CC[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000838938257 644093876 /nfs/dbraw/zinc/09/38/76/644093876.db2.gz AIBSJVSZHREGAQ-HZPDHXFCSA-N 2 1 294.826 2.335 20 0 CEADMP Clc1cccc(CC[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000838938257 644093878 /nfs/dbraw/zinc/09/38/78/644093878.db2.gz AIBSJVSZHREGAQ-HZPDHXFCSA-N 2 1 294.826 2.335 20 0 CEADMP CC(C)OC1CC([N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000839025160 644127187 /nfs/dbraw/zinc/12/71/87/644127187.db2.gz GUAHHLQCUBAMBD-UYSNPLJNSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)OC1CC([NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000839025160 644127190 /nfs/dbraw/zinc/12/71/90/644127190.db2.gz GUAHHLQCUBAMBD-UYSNPLJNSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)OC1CC([NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000839025160 644127192 /nfs/dbraw/zinc/12/71/92/644127192.db2.gz GUAHHLQCUBAMBD-UYSNPLJNSA-N 2 1 266.429 2.360 20 0 CEADMP Cc1nn(C)c(Cl)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839183487 644182284 /nfs/dbraw/zinc/18/22/84/644182284.db2.gz WZLIKFXAWJHSLG-GFCCVEGCSA-N 2 1 284.835 2.203 20 0 CEADMP C[C@H](O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000754787347 644430653 /nfs/dbraw/zinc/43/06/53/644430653.db2.gz VRDYNVFORXBWCD-IAOVAPTHSA-N 2 1 274.408 2.456 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)CC1(C)C ZINC000858125635 645068869 /nfs/dbraw/zinc/06/88/69/645068869.db2.gz JFXFPOQHRIXZRQ-CYBMUJFWSA-N 2 1 299.459 2.364 20 0 CEADMP COC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000858128693 645070502 /nfs/dbraw/zinc/07/05/02/645070502.db2.gz YVBDENDIAVJPHT-RUXDESIVSA-N 2 1 282.428 2.181 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cc[nH+]c(CO)c2)C1 ZINC000858350046 645128121 /nfs/dbraw/zinc/12/81/21/645128121.db2.gz CUEFCUAXPHZNGQ-OKILXGFUSA-N 2 1 277.412 2.354 20 0 CEADMP OCc1cc(NC[C@@H]2CCCC[N@H+]2C2CC2)cc[nH+]1 ZINC000858516820 645188769 /nfs/dbraw/zinc/18/87/69/645188769.db2.gz NWZUFGMASCRGPT-HNNXBMFYSA-N 2 1 261.369 2.003 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC2(O)CCC2)cc1 ZINC000761220152 645259317 /nfs/dbraw/zinc/25/93/17/645259317.db2.gz VEJDVLKOAOKNNY-UHFFFAOYSA-N 2 1 262.397 2.095 20 0 CEADMP CC(C)[C@H](O)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000878121149 651006289 /nfs/dbraw/zinc/00/62/89/651006289.db2.gz NNHYURXOAYBZBU-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP COC(=O)CCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212222 645421555 /nfs/dbraw/zinc/42/15/55/645421555.db2.gz KSUFDDXMONPRLU-UHFFFAOYSA-N 2 1 278.396 2.133 20 0 CEADMP CCN(C)C(=O)CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214264 645423427 /nfs/dbraw/zinc/42/34/27/645423427.db2.gz HKMWUEHPBRXQER-UHFFFAOYSA-N 2 1 291.439 2.048 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763675773 645565924 /nfs/dbraw/zinc/56/59/24/645565924.db2.gz OZNUMKJACGWBDG-HNNXBMFYSA-N 2 1 294.439 2.134 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H](C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000765255014 645748819 /nfs/dbraw/zinc/74/88/19/645748819.db2.gz NYXXQYOKRVDYOV-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCCCC2)[C@H](C)C1 ZINC000765255014 645748826 /nfs/dbraw/zinc/74/88/26/645748826.db2.gz NYXXQYOKRVDYOV-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCCCC2)[C@H](C)C1 ZINC000765255014 645748829 /nfs/dbraw/zinc/74/88/29/645748829.db2.gz NYXXQYOKRVDYOV-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000765405335 645764671 /nfs/dbraw/zinc/76/46/71/645764671.db2.gz IXWKUZPTOVUOAB-NCOADZHNSA-N 2 1 298.471 2.281 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCN2CCc3ccccc32)[C@@H](C)C1 ZINC000765415551 645765866 /nfs/dbraw/zinc/76/58/66/645765866.db2.gz FYGJSNLAWYAJGG-RDJZCZTQSA-N 2 1 287.451 2.369 20 0 CEADMP CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000767881009 646050311 /nfs/dbraw/zinc/05/03/11/646050311.db2.gz FBQFDHBKACDOSZ-ZWKOTPCHSA-N 2 1 288.435 2.280 20 0 CEADMP CC[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000767881009 646050314 /nfs/dbraw/zinc/05/03/14/646050314.db2.gz FBQFDHBKACDOSZ-ZWKOTPCHSA-N 2 1 288.435 2.280 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000768163051 646091516 /nfs/dbraw/zinc/09/15/16/646091516.db2.gz RZACVLASLKDIJQ-HRCADAONSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000768163051 646091522 /nfs/dbraw/zinc/09/15/22/646091522.db2.gz RZACVLASLKDIJQ-HRCADAONSA-N 2 1 268.445 2.344 20 0 CEADMP COC[C@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768911557 646181100 /nfs/dbraw/zinc/18/11/00/646181100.db2.gz ATFQHKAOOGVERY-ZDUSSCGKSA-N 2 1 250.386 2.215 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCn2cccn2)cc1 ZINC000769403217 646261141 /nfs/dbraw/zinc/26/11/41/646261141.db2.gz GRSWVDRHAQKHPS-UHFFFAOYSA-N 2 1 272.396 2.077 20 0 CEADMP Cc1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccnc1F ZINC000862273559 646389077 /nfs/dbraw/zinc/38/90/77/646389077.db2.gz KOBVIZLEICHGKK-ZIAGYGMSSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccnc1F ZINC000862273559 646389083 /nfs/dbraw/zinc/38/90/83/646389083.db2.gz KOBVIZLEICHGKK-ZIAGYGMSSA-N 2 1 263.360 2.246 20 0 CEADMP CCc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)[nH]n1 ZINC000925492767 646404720 /nfs/dbraw/zinc/40/47/20/646404720.db2.gz ZRBDFCHGYPDDBQ-CVEARBPZSA-N 2 1 276.428 2.230 20 0 CEADMP Cc1ncc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000773084392 646704728 /nfs/dbraw/zinc/70/47/28/646704728.db2.gz YWMHMWWKHFVTNO-JQWIXIFHSA-N 2 1 253.415 2.066 20 0 CEADMP CC[C@H]1CCN(C(=[NH2+])NCCCC[N@@H+](C)C2CC2)C1 ZINC000864467143 647021542 /nfs/dbraw/zinc/02/15/42/647021542.db2.gz SZPBRDDVSROQTB-ZDUSSCGKSA-N 2 1 266.433 2.117 20 0 CEADMP CC(=O)NCC1CCC([NH2+]CCC[N@H+](C)C(C)C)CC1 ZINC000865409204 647279923 /nfs/dbraw/zinc/27/99/23/647279923.db2.gz CKPKVKBXYGXILL-UHFFFAOYSA-N 2 1 283.460 2.001 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000120589465 647319177 /nfs/dbraw/zinc/31/91/77/647319177.db2.gz NMCRMCQCQDJFBH-MRXNPFEDSA-N 2 1 296.455 2.384 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC12CCOCC2 ZINC000865777792 647460390 /nfs/dbraw/zinc/46/03/90/647460390.db2.gz LKPYXVJROLOLFH-OWCLPIDISA-N 2 1 278.440 2.410 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H]1CC[NH+]1C1CCCCCC1 ZINC000865805467 647470060 /nfs/dbraw/zinc/47/00/60/647470060.db2.gz ZYBLUIDZKOIENF-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H]1CC[NH+]1C1CCCCCC1 ZINC000865805467 647470063 /nfs/dbraw/zinc/47/00/63/647470063.db2.gz ZYBLUIDZKOIENF-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865805467 647470069 /nfs/dbraw/zinc/47/00/69/647470069.db2.gz ZYBLUIDZKOIENF-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000865805467 647470072 /nfs/dbraw/zinc/47/00/72/647470072.db2.gz ZYBLUIDZKOIENF-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC000782183607 647597686 /nfs/dbraw/zinc/59/76/86/647597686.db2.gz NABOQJSIGRJTLW-UHFFFAOYSA-N 3 1 267.461 2.134 20 0 CEADMP CCCN1CCC([N@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC000782183607 647597689 /nfs/dbraw/zinc/59/76/89/647597689.db2.gz NABOQJSIGRJTLW-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP CCCN1CCC([N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC000782183607 647597690 /nfs/dbraw/zinc/59/76/90/647597690.db2.gz NABOQJSIGRJTLW-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP CCOCOc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000782951746 647665044 /nfs/dbraw/zinc/66/50/44/647665044.db2.gz FLCLCXLXSXEOEO-AWEZNQCLSA-N 2 1 280.412 2.489 20 0 CEADMP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]cc3Br)CC[C@@H]21 ZINC000866208132 647671628 /nfs/dbraw/zinc/67/16/28/647671628.db2.gz KIACARNIQMXJSI-JQWIXIFHSA-N 2 1 296.212 2.375 20 0 CEADMP C[N@H+]1CC[C@H]2CN(c3cc[nH+]cc3Br)CC[C@@H]21 ZINC000866208132 647671634 /nfs/dbraw/zinc/67/16/34/647671634.db2.gz KIACARNIQMXJSI-JQWIXIFHSA-N 2 1 296.212 2.375 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCc3cccc4cccc2c43)C1 ZINC000866340867 647744417 /nfs/dbraw/zinc/74/44/17/647744417.db2.gz UGQAIWDOFSZLLY-PKOBYXMFSA-N 2 1 296.414 2.483 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCc3cccc4cccc2c43)C1 ZINC000866340867 647744420 /nfs/dbraw/zinc/74/44/20/647744420.db2.gz UGQAIWDOFSZLLY-PKOBYXMFSA-N 2 1 296.414 2.483 20 0 CEADMP C(C[C@H]1CCSC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000866403833 647775785 /nfs/dbraw/zinc/77/57/85/647775785.db2.gz RMPRWOVHFKGTFT-HOCLYGCPSA-N 2 1 298.496 2.363 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000866414031 647779185 /nfs/dbraw/zinc/77/91/85/647779185.db2.gz ZLLGDBJIRVYNMY-UXLLHSPISA-N 2 1 276.424 2.115 20 0 CEADMP CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000866524296 647814814 /nfs/dbraw/zinc/81/48/14/647814814.db2.gz BKTSXQBMFBZXOC-XBXGTLAGSA-N 2 1 294.439 2.323 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)[C@H](C)C1 ZINC000866537131 647819553 /nfs/dbraw/zinc/81/95/53/647819553.db2.gz LFQGARLCYICESQ-BSWAZPDLSA-N 2 1 280.456 2.369 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC[N@H+]1C ZINC000866538312 647820218 /nfs/dbraw/zinc/82/02/18/647820218.db2.gz QOPCLQWYBUDWRD-TUUVXOQKSA-N 2 1 266.429 2.121 20 0 CEADMP CN1Cc2ccccc2[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000866562200 647825166 /nfs/dbraw/zinc/82/51/66/647825166.db2.gz CWXCNMUXYXAJCX-MMNRESRNSA-N 2 1 285.435 2.388 20 0 CEADMP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704612 647875456 /nfs/dbraw/zinc/87/54/56/647875456.db2.gz OWZWIZFTQQXLNS-PBHICJAKSA-N 2 1 297.487 2.234 20 0 CEADMP Cc1nccn1CCC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706035 647876462 /nfs/dbraw/zinc/87/64/62/647876462.db2.gz FLJDGLGKHYFACZ-MRXNPFEDSA-N 2 1 278.444 2.279 20 0 CEADMP CC(C)N1CCC[C@H]([N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866706639 647878308 /nfs/dbraw/zinc/87/83/08/647878308.db2.gz PRTVTSHFJFSWLM-WMLDXEAASA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)N1CCC[C@@H]([N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866706637 647878530 /nfs/dbraw/zinc/87/85/30/647878530.db2.gz PRTVTSHFJFSWLM-RHSMWYFYSA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)C[N@@H+](CC[C@H]1CC[NH2+]C1)CC1CC[NH+](C)CC1 ZINC000866717530 647880070 /nfs/dbraw/zinc/88/00/70/647880070.db2.gz HLLHESPQJVMSLB-MRXNPFEDSA-N 3 1 281.488 2.286 20 0 CEADMP Fc1cccc2c1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CCO2 ZINC000866727799 647885275 /nfs/dbraw/zinc/88/52/75/647885275.db2.gz UBSQOZQDLRJQIE-ZDUSSCGKSA-N 2 1 278.371 2.410 20 0 CEADMP Cc1nc(C2([NH2+]CC3CC[NH+](C)CC3)CCCCC2)no1 ZINC000788492384 648194609 /nfs/dbraw/zinc/19/46/09/648194609.db2.gz DYALHRRXIPTIJE-UHFFFAOYSA-N 2 1 292.427 2.469 20 0 CEADMP C/C=C(\CC)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000788817610 648226710 /nfs/dbraw/zinc/22/67/10/648226710.db2.gz FLNLXVGLTCDOHH-YIXHJXPBSA-N 2 1 288.395 2.128 20 0 CEADMP CC(C)[C@@H](C[NH+](C)C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000791130934 648483364 /nfs/dbraw/zinc/48/33/64/648483364.db2.gz WYSNCPDOZMVYJP-MRXNPFEDSA-N 2 1 297.487 2.343 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000792976369 648694156 /nfs/dbraw/zinc/69/41/56/648694156.db2.gz CDZMIEAEUJBVJO-GVDBMIGSSA-N 2 1 296.455 2.177 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)n(C)n1 ZINC000793532648 648772301 /nfs/dbraw/zinc/77/23/01/648772301.db2.gz HVJOCMNUFDSZFI-ZDUSSCGKSA-N 2 1 275.400 2.364 20 0 CEADMP CC(C)[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)[NH+](C)C ZINC000871795479 649188589 /nfs/dbraw/zinc/18/85/89/649188589.db2.gz QZQYCTHVNWFESB-PSEXLTFBSA-N 2 1 278.400 2.326 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872021290 649243332 /nfs/dbraw/zinc/24/33/32/649243332.db2.gz AMFWKABKMCDQQN-OAHLLOKOSA-N 2 1 284.444 2.036 20 0 CEADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)[C@H]1CCCOC1 ZINC000872065877 649260033 /nfs/dbraw/zinc/26/00/33/649260033.db2.gz HZAPZFSBUVIJRI-ULQDDVLXSA-N 2 1 298.471 2.282 20 0 CEADMP CC1(C)CO[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000872106207 649279527 /nfs/dbraw/zinc/27/95/27/649279527.db2.gz PETGUYOCOHYOMI-HZPDHXFCSA-N 2 1 296.455 2.035 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000872141464 649290378 /nfs/dbraw/zinc/29/03/78/649290378.db2.gz HFYZJZQDPBBIDS-LRMUHYSTSA-N 2 1 264.413 2.288 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@](C)(C[NH3+])C(C)C)ccc1C ZINC000872141602 649290544 /nfs/dbraw/zinc/29/05/44/649290544.db2.gz LJHFOSCSVFCLAE-MRXNPFEDSA-N 2 1 278.396 2.245 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000872141630 649290554 /nfs/dbraw/zinc/29/05/54/649290554.db2.gz MGEHNODHTSMWPA-UHFFFAOYSA-N 2 1 277.412 2.375 20 0 CEADMP Cc1conc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000872143623 649292713 /nfs/dbraw/zinc/29/27/13/649292713.db2.gz VAGNWAGDUUKTNL-KBPBESRZSA-N 2 1 263.385 2.195 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000872144842 649294933 /nfs/dbraw/zinc/29/49/33/649294933.db2.gz KFHVUTRZPORFKH-XUWVNRHRSA-N 2 1 296.455 2.020 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CC3(CCC3)CO2)C[C@@H]1C[NH3+] ZINC000872144246 649295002 /nfs/dbraw/zinc/29/50/02/649295002.db2.gz DNRWSRWNRYLHOA-CBBWQLFWSA-N 2 1 266.429 2.251 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000872153957 649298331 /nfs/dbraw/zinc/29/83/31/649298331.db2.gz PPGMMCHKJWMMFQ-VBNZEHGJSA-N 2 1 260.356 2.354 20 0 CEADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000872157022 649299114 /nfs/dbraw/zinc/29/91/14/649299114.db2.gz GUPSXJWCYOHDFJ-ZWKOTPCHSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1cccc2c1CC[NH2+]C2 ZINC000872157022 649299116 /nfs/dbraw/zinc/29/91/16/649299116.db2.gz GUPSXJWCYOHDFJ-ZWKOTPCHSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1cccc2c1CC[NH2+]C2 ZINC000872157022 649299120 /nfs/dbraw/zinc/29/91/20/649299120.db2.gz GUPSXJWCYOHDFJ-ZWKOTPCHSA-N 3 1 285.435 2.001 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CC(=O)NCC1CCCCC1 ZINC000872155783 649299489 /nfs/dbraw/zinc/29/94/89/649299489.db2.gz ZHKTWFPFJAIBRL-UHFFFAOYSA-N 2 1 283.460 2.134 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000872305677 649351592 /nfs/dbraw/zinc/35/15/92/649351592.db2.gz LUZKRRMCXUEDGW-JJXSEGSLSA-N 2 1 293.455 2.027 20 0 CEADMP c1c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)sc2c1C[NH2+]CC2 ZINC000873207359 649589503 /nfs/dbraw/zinc/58/95/03/649589503.db2.gz AISIRPTUWNPDBB-WFASDCNBSA-N 2 1 292.448 2.395 20 0 CEADMP NC[C@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)C1CCCCC1 ZINC000873210304 649591112 /nfs/dbraw/zinc/59/11/12/649591112.db2.gz BONLDPORDASMOW-HNNXBMFYSA-N 2 1 293.480 2.391 20 0 CEADMP CC(C)C[C@H](N)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000873219429 649595045 /nfs/dbraw/zinc/59/50/45/649595045.db2.gz HFFAGDJJSUCHGU-NFOMZHRRSA-N 2 1 255.450 2.212 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000873219912 649595347 /nfs/dbraw/zinc/59/53/47/649595347.db2.gz HGWMQVIZWHNUHN-WBAXXEDZSA-N 3 1 287.451 2.457 20 0 CEADMP CCn1nccc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000873223035 649596745 /nfs/dbraw/zinc/59/67/45/649596745.db2.gz HFJYYDLCDHQLQZ-OAHLLOKOSA-N 2 1 264.417 2.100 20 0 CEADMP CCn1nccc1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000873223035 649596748 /nfs/dbraw/zinc/59/67/48/649596748.db2.gz HFJYYDLCDHQLQZ-OAHLLOKOSA-N 2 1 264.417 2.100 20 0 CEADMP COCCC1([NH2+]Cc2sc(C)nc2C)CC[NH2+]CC1 ZINC000873224608 649597997 /nfs/dbraw/zinc/59/79/97/649597997.db2.gz HSFDLIQCJRUDRP-UHFFFAOYSA-N 2 1 283.441 2.008 20 0 CEADMP CCc1cccc(F)c1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873229012 649600389 /nfs/dbraw/zinc/60/03/89/649600389.db2.gz NPLOIXZBHSUNFM-XJKSGUPXSA-N 2 1 262.372 2.429 20 0 CEADMP CCc1cccc(F)c1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873229012 649600390 /nfs/dbraw/zinc/60/03/90/649600390.db2.gz NPLOIXZBHSUNFM-XJKSGUPXSA-N 2 1 262.372 2.429 20 0 CEADMP C[C@@H]([NH2+]CCc1cn(C)c2ncccc12)c1c[nH+]ccc1N ZINC000873262552 649616049 /nfs/dbraw/zinc/61/60/49/649616049.db2.gz NGSLQBKTYPPSRZ-GFCCVEGCSA-N 2 1 295.390 2.274 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1c2ccccc2CN1C)c1c[nH+]ccc1N ZINC000873265031 649617178 /nfs/dbraw/zinc/61/71/78/649617178.db2.gz GFXGGYRREXDZMM-YVEFUNNKSA-N 2 1 282.391 2.331 20 0 CEADMP C[C@@H]([NH2+]C1([C@H]2CCCCO2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000873276337 649622280 /nfs/dbraw/zinc/62/22/80/649622280.db2.gz SMDYHLBQOZJAFQ-HZSPNIEDSA-N 2 1 252.402 2.208 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1c[nH+]ccc1N ZINC000873282186 649624821 /nfs/dbraw/zinc/62/48/21/649624821.db2.gz RKUNJPPHAONQFI-ASHKBJFXSA-N 2 1 261.369 2.102 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(N)cc(F)c1 ZINC000873290537 649628766 /nfs/dbraw/zinc/62/87/66/649628766.db2.gz REZVGXDGPINMER-SJKOYZFVSA-N 2 1 287.382 2.456 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1C[C@@H]3CCC[C@H]3O1)C2 ZINC000878662505 651156467 /nfs/dbraw/zinc/15/64/67/651156467.db2.gz PGLJGANGUJNURC-MWDXBVQZSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1C[C@@H]3CCC[C@H]3O1)C2 ZINC000878662505 651156468 /nfs/dbraw/zinc/15/64/68/651156468.db2.gz PGLJGANGUJNURC-MWDXBVQZSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1C[C@@H]3CCC[C@H]3O1)C2 ZINC000878662505 651156470 /nfs/dbraw/zinc/15/64/70/651156470.db2.gz PGLJGANGUJNURC-MWDXBVQZSA-N 2 1 278.440 2.362 20 0 CEADMP CC(=O)Nc1cccc2c1C[N@@H+](CCCn1ccnc1)CC2 ZINC000879236805 651266333 /nfs/dbraw/zinc/26/63/33/651266333.db2.gz NVPZRDORNQQFGF-UHFFFAOYSA-N 2 1 298.390 2.290 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879562097 651322162 /nfs/dbraw/zinc/32/21/62/651322162.db2.gz AGBIBHPWLVVDNN-KBPBESRZSA-N 2 1 265.426 2.267 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879562097 651322164 /nfs/dbraw/zinc/32/21/64/651322164.db2.gz AGBIBHPWLVVDNN-KBPBESRZSA-N 2 1 265.426 2.267 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOc3ccc(F)cc3)CC[C@H]21 ZINC000879571980 651324032 /nfs/dbraw/zinc/32/40/32/651324032.db2.gz MNMPINGQRUHGCO-CZUORRHYSA-N 2 1 278.371 2.231 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCOc3ccc(F)cc3)CC[C@H]21 ZINC000879571980 651324034 /nfs/dbraw/zinc/32/40/34/651324034.db2.gz MNMPINGQRUHGCO-CZUORRHYSA-N 2 1 278.371 2.231 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCOc3ccc(F)cc3)CC[C@H]21 ZINC000879571980 651324035 /nfs/dbraw/zinc/32/40/35/651324035.db2.gz MNMPINGQRUHGCO-CZUORRHYSA-N 2 1 278.371 2.231 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)CC[C@H]21 ZINC000879571980 651324039 /nfs/dbraw/zinc/32/40/39/651324039.db2.gz MNMPINGQRUHGCO-CZUORRHYSA-N 2 1 278.371 2.231 20 0 CEADMP CC(=O)Oc1ccc(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000879576908 651325389 /nfs/dbraw/zinc/32/53/89/651325389.db2.gz FDVMHWQAHJOAFO-DOTOQJQBSA-N 2 1 288.391 2.138 20 0 CEADMP CC(=O)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000879576908 651325390 /nfs/dbraw/zinc/32/53/90/651325390.db2.gz FDVMHWQAHJOAFO-DOTOQJQBSA-N 2 1 288.391 2.138 20 0 CEADMP CC(=O)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000879576908 651325391 /nfs/dbraw/zinc/32/53/91/651325391.db2.gz FDVMHWQAHJOAFO-DOTOQJQBSA-N 2 1 288.391 2.138 20 0 CEADMP CC(=O)Oc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879576908 651325392 /nfs/dbraw/zinc/32/53/92/651325392.db2.gz FDVMHWQAHJOAFO-DOTOQJQBSA-N 2 1 288.391 2.138 20 0 CEADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879576908 651325393 /nfs/dbraw/zinc/32/53/93/651325393.db2.gz FDVMHWQAHJOAFO-DOTOQJQBSA-N 2 1 288.391 2.138 20 0 CEADMP Cc1nonc1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879704644 651341503 /nfs/dbraw/zinc/34/15/03/651341503.db2.gz QZQVKLGUTGUOQD-UHFFFAOYSA-N 2 1 280.416 2.178 20 0 CEADMP CC(C)C[N@@H+](CCc1cnccn1)CC1CC[NH+](C)CC1 ZINC000879706597 651341823 /nfs/dbraw/zinc/34/18/23/651341823.db2.gz ZTOOXLOJIQIVFT-UHFFFAOYSA-N 2 1 290.455 2.319 20 0 CEADMP COC(=O)CC[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000880040996 651377843 /nfs/dbraw/zinc/37/78/43/651377843.db2.gz MIKCYOMEJNPIGQ-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000880040996 651377834 /nfs/dbraw/zinc/37/78/34/651377834.db2.gz MIKCYOMEJNPIGQ-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000880040996 651377835 /nfs/dbraw/zinc/37/78/35/651377835.db2.gz MIKCYOMEJNPIGQ-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@@H+](CCN1CC[C@@H]2[C@H]1CCC[NH+]2C)Cc1ccccc1 ZINC000880140636 651390818 /nfs/dbraw/zinc/39/08/18/651390818.db2.gz CHBOAZWCZRWCPB-QZTJIDSGSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+](CCN1CC[C@@H]2[C@H]1CCC[N@@H+]2C)Cc1ccccc1 ZINC000880140636 651390820 /nfs/dbraw/zinc/39/08/20/651390820.db2.gz CHBOAZWCZRWCPB-QZTJIDSGSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+](CCN1CC[C@@H]2[C@H]1CCC[N@H+]2C)Cc1ccccc1 ZINC000880140636 651390822 /nfs/dbraw/zinc/39/08/22/651390822.db2.gz CHBOAZWCZRWCPB-QZTJIDSGSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@H]3[C@H]2CCC[NH+]3C)C1 ZINC000880143205 651391115 /nfs/dbraw/zinc/39/11/15/651391115.db2.gz ZXMKCNRJGNPUMA-VVLHAWIVSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC000880143205 651391116 /nfs/dbraw/zinc/39/11/16/651391116.db2.gz ZXMKCNRJGNPUMA-VVLHAWIVSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@H]3[C@H]2CCC[N@H+]3C)C1 ZINC000880143205 651391117 /nfs/dbraw/zinc/39/11/17/651391117.db2.gz ZXMKCNRJGNPUMA-VVLHAWIVSA-N 2 1 279.472 2.133 20 0 CEADMP CCC[C@H](C)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203315 651400811 /nfs/dbraw/zinc/40/08/11/651400811.db2.gz ADLGWSMYONTHGJ-DZGCQCFKSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[C@H](C)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203315 651400812 /nfs/dbraw/zinc/40/08/12/651400812.db2.gz ADLGWSMYONTHGJ-DZGCQCFKSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1cnccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259644 651411763 /nfs/dbraw/zinc/41/17/63/651411763.db2.gz XWIIUGIHUTYEGX-OAHLLOKOSA-N 2 1 282.391 2.496 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2cncs2)CCN1c1cc[nH+]cc1 ZINC000880259321 651411789 /nfs/dbraw/zinc/41/17/89/651411789.db2.gz PUFICYKQWFVPRD-CYBMUJFWSA-N 2 1 288.420 2.291 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260085 651412284 /nfs/dbraw/zinc/41/22/84/651412284.db2.gz NCXXBGODTXDROM-NVXWUHKLSA-N 2 1 291.439 2.389 20 0 CEADMP COC(=O)C(C)(C)C[N@@H+](CCn1ccnc1C)CC(C)C ZINC000880383253 651434081 /nfs/dbraw/zinc/43/40/81/651434081.db2.gz YECQZTHMDYWAPS-UHFFFAOYSA-N 2 1 295.427 2.349 20 0 CEADMP COC(=O)C(C)(C)C[N@H+](CCn1cc[nH+]c1C)CC(C)C ZINC000880383253 651434083 /nfs/dbraw/zinc/43/40/83/651434083.db2.gz YECQZTHMDYWAPS-UHFFFAOYSA-N 2 1 295.427 2.349 20 0 CEADMP COC(=O)C(C)(C)C[N@@H+](CCn1cc[nH+]c1C)CC(C)C ZINC000880383253 651434086 /nfs/dbraw/zinc/43/40/86/651434086.db2.gz YECQZTHMDYWAPS-UHFFFAOYSA-N 2 1 295.427 2.349 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc2c1CCOC2 ZINC000882945295 652282917 /nfs/dbraw/zinc/28/29/17/652282917.db2.gz PCEMOWHRHZNTBM-UHFFFAOYSA-N 2 1 271.364 2.054 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000883153326 652381121 /nfs/dbraw/zinc/38/11/21/652381121.db2.gz ZTLPEILOIJZVCT-FICVDOATSA-N 2 1 266.429 2.002 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CCCC3(CC3)C2)CCOCC1 ZINC000883189687 652394913 /nfs/dbraw/zinc/39/49/13/652394913.db2.gz MUTWIGPETSAXPZ-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CC[N@@H+]1C ZINC000883367951 652446348 /nfs/dbraw/zinc/44/63/48/652446348.db2.gz BOKICPLOISVZJL-BARDWOONSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CC[N@H+]1C ZINC000883367951 652446351 /nfs/dbraw/zinc/44/63/51/652446351.db2.gz BOKICPLOISVZJL-BARDWOONSA-N 2 1 252.402 2.160 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)CC[C@H]1[NH3+] ZINC000883427332 652465802 /nfs/dbraw/zinc/46/58/02/652465802.db2.gz OGSLAVJWTCJDON-BZUAXINKSA-N 2 1 296.455 2.021 20 0 CEADMP C(C[N@H+]1CC[NH2+]CCC12CCC2)C1SCCS1 ZINC000883460046 652477476 /nfs/dbraw/zinc/47/74/76/652477476.db2.gz NZPJBXLVBQJOEA-UHFFFAOYSA-N 2 1 272.483 2.401 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000883459210 652477520 /nfs/dbraw/zinc/47/75/20/652477520.db2.gz NXLWQCHEVJOUTN-UHFFFAOYSA-N 2 1 288.391 2.191 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000883459210 652477523 /nfs/dbraw/zinc/47/75/23/652477523.db2.gz NXLWQCHEVJOUTN-UHFFFAOYSA-N 2 1 288.391 2.191 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])CC3CC3)c2C1 ZINC000884207487 652752688 /nfs/dbraw/zinc/75/26/88/652752688.db2.gz XFAANJIVJBVENR-HNNXBMFYSA-N 2 1 287.407 2.478 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])CC3CC3)c2C1 ZINC000884207487 652752692 /nfs/dbraw/zinc/75/26/92/652752692.db2.gz XFAANJIVJBVENR-HNNXBMFYSA-N 2 1 287.407 2.478 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000884393763 652831755 /nfs/dbraw/zinc/83/17/55/652831755.db2.gz KWUKPANNHHVKPR-KKUMJFAQSA-N 2 1 295.471 2.129 20 0 CEADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(C[NH+]2CCCC2)cn1 ZINC001164641643 719233313 /nfs/dbraw/zinc/23/33/13/719233313.db2.gz UUKUMKBWMMEOAG-GJZGRUSLSA-N 2 1 288.439 2.206 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(C[NH+]2CCCC2)cn1 ZINC001164641650 719233364 /nfs/dbraw/zinc/23/33/64/719233364.db2.gz UUKUMKBWMMEOAG-LSDHHAIUSA-N 2 1 288.439 2.206 20 0 CEADMP CCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167996147 805604346 /nfs/dbraw/zinc/60/43/46/805604346.db2.gz XLXLAHURARTFCH-JWTNVVGKSA-N 2 1 291.483 2.419 20 0 CEADMP CC(C)Cc1ccc(C[N@H+]2CCO[C@H](CC[NH3+])C2)cc1 ZINC001204754943 805663447 /nfs/dbraw/zinc/66/34/47/805663447.db2.gz CCFOYJFKAKVOSC-QGZVFWFLSA-N 2 1 276.424 2.435 20 0 CEADMP CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1C ZINC001168007744 805669546 /nfs/dbraw/zinc/66/95/46/805669546.db2.gz UGNBXDIFYBOBRF-NAZJXLNTSA-N 2 1 291.483 2.418 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC)[C@@H]1CC ZINC001087593776 805758783 /nfs/dbraw/zinc/75/87/83/805758783.db2.gz VODCFMCSROMYFR-ARFHVFGLSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H]1CC ZINC001087593776 805758786 /nfs/dbraw/zinc/75/87/86/805758786.db2.gz VODCFMCSROMYFR-ARFHVFGLSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H]1CC ZINC001087593776 805758788 /nfs/dbraw/zinc/75/87/88/805758788.db2.gz VODCFMCSROMYFR-ARFHVFGLSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCC(C)C)C1 ZINC001271681788 806019628 /nfs/dbraw/zinc/01/96/28/806019628.db2.gz AVHTUXMLUPEQHL-CVEARBPZSA-N 2 1 297.487 2.058 20 0 CEADMP CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CCC ZINC001271750927 806077924 /nfs/dbraw/zinc/07/79/24/806077924.db2.gz LSRZNLXKRBBRDE-JKSUJKDBSA-N 2 1 297.487 2.345 20 0 CEADMP CCCCC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001272178809 806569679 /nfs/dbraw/zinc/56/96/79/806569679.db2.gz QQYBIDXPAWDYNI-IYBDPMFKSA-N 2 1 297.487 2.440 20 0 CEADMP CCCCC[NH+](C)CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001272178809 806569686 /nfs/dbraw/zinc/56/96/86/806569686.db2.gz QQYBIDXPAWDYNI-IYBDPMFKSA-N 2 1 297.487 2.440 20 0 CEADMP CCCCC[NH+](C)CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001272178809 806569690 /nfs/dbraw/zinc/56/96/90/806569690.db2.gz QQYBIDXPAWDYNI-IYBDPMFKSA-N 2 1 297.487 2.440 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@@](C)(O)C2)CC1 ZINC001168314682 806645881 /nfs/dbraw/zinc/64/58/81/806645881.db2.gz OBZNZKOLZMEIJA-YMAMQOFZSA-N 2 1 254.418 2.096 20 0 CEADMP CCO[C@@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168323197 806653361 /nfs/dbraw/zinc/65/33/61/806653361.db2.gz UQGXHZPVPJYQHW-YMAMQOFZSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)CC1 ZINC001168327964 806656781 /nfs/dbraw/zinc/65/67/81/806656781.db2.gz VOBINSKMGGIOCP-VTXSZYRJSA-N 2 1 288.382 2.073 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cscn1 ZINC000697870504 806718566 /nfs/dbraw/zinc/71/85/66/806718566.db2.gz HIUQJFQGFVDPQA-LLVKDONJSA-N 2 1 261.394 2.495 20 0 CEADMP CCC[N@@H+](CCOC)C1CC[NH+](CC2CC2)CC1 ZINC001168370735 806938650 /nfs/dbraw/zinc/93/86/50/806938650.db2.gz FRWRSTWYEGJTGB-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@]1(O)CCCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168371106 806948578 /nfs/dbraw/zinc/94/85/78/806948578.db2.gz DIFCFHZMARFGQH-MRXNPFEDSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1C[C@H](C)O[C@@H](C)C1 ZINC000724468136 802349702 /nfs/dbraw/zinc/34/97/02/802349702.db2.gz GFGVVCQLUVWVFA-VISVQNLJSA-N 2 1 266.429 2.405 20 0 CEADMP C[NH+](C)CC1(C[N@H+]2CCC[C@H](CCO)C2)CCCC1 ZINC001208186593 802377490 /nfs/dbraw/zinc/37/74/90/802377490.db2.gz WAQNKWLFYHZUHO-OAHLLOKOSA-N 2 1 268.445 2.203 20 0 CEADMP CCCC[NH+]1CCC([N@@H+](C)CCC(=O)OCC)CC1 ZINC001209039396 802460827 /nfs/dbraw/zinc/46/08/27/802460827.db2.gz WXYRJDLPYATMLH-UHFFFAOYSA-N 2 1 270.417 2.136 20 0 CEADMP CCCC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001100420592 802496174 /nfs/dbraw/zinc/49/61/74/802496174.db2.gz NXTDPIKLFIJBCP-GPANFISMSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000088715558 802524300 /nfs/dbraw/zinc/52/43/00/802524300.db2.gz BABPGAGXWMJFHA-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP Cn1nc(C(F)F)c(C[NH+]2CCC(C[NH3+])CC2)c1Cl ZINC001205047084 809073632 /nfs/dbraw/zinc/07/36/32/809073632.db2.gz OVDIJBPUCNCFKF-UHFFFAOYSA-N 2 1 292.761 2.182 20 0 CEADMP c1ccc(CN2C[C@@H]3C[NH+](CC4CC[NH2+]CC4)C[C@H]3C2)cc1 ZINC000705955890 802595570 /nfs/dbraw/zinc/59/55/70/802595570.db2.gz RKUZJMFFWVEUCP-RTBURBONSA-N 2 1 299.462 2.050 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)CCC[NH2+]C1 ZINC000704259464 809726635 /nfs/dbraw/zinc/72/66/35/809726635.db2.gz JSIMQKOMIGXWMC-RDBSUJKOSA-N 2 1 254.443 2.346 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721443891 802776351 /nfs/dbraw/zinc/77/63/51/802776351.db2.gz JJXQUVDDIDTSCL-TUAOUCFPSA-N 2 1 280.334 2.300 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721443891 802776357 /nfs/dbraw/zinc/77/63/57/802776357.db2.gz JJXQUVDDIDTSCL-TUAOUCFPSA-N 2 1 280.334 2.300 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)CC[N@H+]1C ZINC000721449167 802795542 /nfs/dbraw/zinc/79/55/42/802795542.db2.gz ZZNMHJGGEJSKJQ-DDHJBXDOSA-N 2 1 280.334 2.169 20 0 CEADMP CCCCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167475519 802895400 /nfs/dbraw/zinc/89/54/00/802895400.db2.gz HDEJMTHGHNNJIZ-UHFFFAOYSA-N 2 1 294.443 2.293 20 0 CEADMP CCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001104363977 802897866 /nfs/dbraw/zinc/89/78/66/802897866.db2.gz RIKBFEJENFCCRC-HUUCEWRRSA-N 2 1 297.487 2.201 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000723610412 802902572 /nfs/dbraw/zinc/90/25/72/802902572.db2.gz RJSONDSDTSCLGD-SQWLQELKSA-N 2 1 266.429 2.266 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000723610411 802902923 /nfs/dbraw/zinc/90/29/23/802902923.db2.gz RJSONDSDTSCLGD-OFQRWUPVSA-N 2 1 266.429 2.266 20 0 CEADMP C([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000723666076 802921885 /nfs/dbraw/zinc/92/18/85/802921885.db2.gz VYXIIKIBYYYBMK-ZJIFWQFVSA-N 2 1 278.440 2.266 20 0 CEADMP C([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000723666073 802922325 /nfs/dbraw/zinc/92/23/25/802922325.db2.gz VYXIIKIBYYYBMK-KLHDSHLOSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@H]1CC[NH3+] ZINC000723882800 802963925 /nfs/dbraw/zinc/96/39/25/802963925.db2.gz LCLUKAOXRYLQLT-GHMZBOCLSA-N 2 1 254.324 2.382 20 0 CEADMP COc1ccc(CC[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000723892648 802965956 /nfs/dbraw/zinc/96/59/56/802965956.db2.gz SOWLIAIKRUXXGT-UKRRQHHQSA-N 2 1 262.397 2.154 20 0 CEADMP OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000399165634 802972574 /nfs/dbraw/zinc/97/25/74/802972574.db2.gz GTUKOJHZXGHORZ-WCQYABFASA-N 2 1 294.361 2.154 20 0 CEADMP C[C@@H]1CC[C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000399195448 802977946 /nfs/dbraw/zinc/97/79/46/802977946.db2.gz RSHRIEVZPBPDTC-NJAFHUGGSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H](Cc1ccccc1Cl)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399202841 802978379 /nfs/dbraw/zinc/97/83/79/802978379.db2.gz USVVTGSJJCGVCJ-CYBMUJFWSA-N 2 1 296.842 2.317 20 0 CEADMP CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001266976001 803032858 /nfs/dbraw/zinc/03/28/58/803032858.db2.gz RRPKOUWRSJLPPM-CABCVRRESA-N 2 1 283.460 2.144 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC2CC2)C1 ZINC001132437669 812852057 /nfs/dbraw/zinc/85/20/57/812852057.db2.gz WZFFHOJAOIIGIL-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CC2)C1 ZINC001132437669 812852071 /nfs/dbraw/zinc/85/20/71/812852071.db2.gz WZFFHOJAOIIGIL-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CC2)C1 ZINC001132437669 812852080 /nfs/dbraw/zinc/85/20/80/812852080.db2.gz WZFFHOJAOIIGIL-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cccc(O[C@H]2CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)n1 ZINC001207285155 803130769 /nfs/dbraw/zinc/13/07/69/803130769.db2.gz YTLNIPAZZUFKMV-HNNXBMFYSA-N 2 1 291.439 2.431 20 0 CEADMP Cc1cccc(O[C@H]2CC[N@H+](CC(C)(C)C[NH+](C)C)C2)n1 ZINC001207285155 803130771 /nfs/dbraw/zinc/13/07/71/803130771.db2.gz YTLNIPAZZUFKMV-HNNXBMFYSA-N 2 1 291.439 2.431 20 0 CEADMP CCC/C=C/CC[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896847 813173815 /nfs/dbraw/zinc/17/38/15/813173815.db2.gz RIYIOTREOHMHMB-VOTSOKGWSA-N 2 1 295.471 2.171 20 0 CEADMP CN(C)c1cc[nH+]c(N2C(C)(C)CC([NH3+])CC2(C)C)n1 ZINC001167624449 803211782 /nfs/dbraw/zinc/21/17/82/803211782.db2.gz WWDYHMUHIYLKRQ-UHFFFAOYSA-N 2 1 277.416 2.027 20 0 CEADMP CC(C)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167633432 803222354 /nfs/dbraw/zinc/22/23/54/803222354.db2.gz CJYJCSWUDVWIEY-OAHLLOKOSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167913661 803227568 /nfs/dbraw/zinc/22/75/68/803227568.db2.gz PNBHSTADJZUBBN-WDNDVIMCSA-N 3 1 267.461 2.260 20 0 CEADMP CCCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001267436115 803466006 /nfs/dbraw/zinc/46/60/06/803466006.db2.gz HVUFULGOIHNMSO-OAHLLOKOSA-N 2 1 283.460 2.097 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc3c[nH]nc3c1)C2 ZINC000693986632 803470191 /nfs/dbraw/zinc/47/01/91/803470191.db2.gz QMCHIARDJUORFQ-HOCLYGCPSA-N 2 1 270.380 2.124 20 0 CEADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)n(C2CC2)c1 ZINC001117782870 814949097 /nfs/dbraw/zinc/94/90/97/814949097.db2.gz AHSPOTAAOVRFNK-ZDUSSCGKSA-N 2 1 259.397 2.397 20 0 CEADMP C([C@H]1CC[C@H](C2CC2)O1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000715397308 814953041 /nfs/dbraw/zinc/95/30/41/814953041.db2.gz XCMJHDMXPISDLH-HUUCEWRRSA-N 2 1 264.413 2.162 20 0 CEADMP C([C@H]1CC[C@H](C2CC2)O1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000715397308 814953045 /nfs/dbraw/zinc/95/30/45/814953045.db2.gz XCMJHDMXPISDLH-HUUCEWRRSA-N 2 1 264.413 2.162 20 0 CEADMP CCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267741631 803695920 /nfs/dbraw/zinc/69/59/20/803695920.db2.gz GWBSUYLLIOHEEB-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267741631 803695923 /nfs/dbraw/zinc/69/59/23/803695923.db2.gz GWBSUYLLIOHEEB-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267741631 803695925 /nfs/dbraw/zinc/69/59/25/803695925.db2.gz GWBSUYLLIOHEEB-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715385574 814963115 /nfs/dbraw/zinc/96/31/15/814963115.db2.gz KQGDIIZBFVVEPN-GJZGRUSLSA-N 2 1 254.418 2.395 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715391450 814963481 /nfs/dbraw/zinc/96/34/81/814963481.db2.gz FVYYZMPGFGLLKZ-QLFBSQMISA-N 2 1 252.402 2.147 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715391450 814963486 /nfs/dbraw/zinc/96/34/86/814963486.db2.gz FVYYZMPGFGLLKZ-QLFBSQMISA-N 2 1 252.402 2.147 20 0 CEADMP C[NH+]1CCC(CC[N@H+]2CC[C@]3(C2)CC(F)(F)CO3)CC1 ZINC001207485994 803801849 /nfs/dbraw/zinc/80/18/49/803801849.db2.gz AJXPSABPYYNYMA-CQSZACIVSA-N 2 1 288.382 2.218 20 0 CEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(OC)ccc1OC(F)F ZINC001117953175 814968916 /nfs/dbraw/zinc/96/89/16/814968916.db2.gz BVIBITFVMSSKKM-JTQLQIEISA-N 2 1 288.338 2.384 20 0 CEADMP C[C@@H]1C[C@@H](N2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000709447591 803865406 /nfs/dbraw/zinc/86/54/06/803865406.db2.gz HZVPHDQWPHPZJV-AEFFLSMTSA-N 2 1 287.451 2.335 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC000709452269 803866954 /nfs/dbraw/zinc/86/69/54/803866954.db2.gz PYBXYGPTUSBRNV-OIISXLGYSA-N 2 1 274.408 2.418 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(NC(=O)CCCCC[NH3+])cn1 ZINC000037005270 814976901 /nfs/dbraw/zinc/97/69/01/814976901.db2.gz ZSDHUISYVGAFFL-UHFFFAOYSA-N 2 1 287.367 2.033 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC(F)(F)C3)C[C@@H]2C1 ZINC000931439745 803969245 /nfs/dbraw/zinc/96/92/45/803969245.db2.gz YSMKYTKQHLFRNH-XQQFMLRXSA-N 2 1 258.356 2.305 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)C[C@@H]2C1 ZINC000931439745 803969253 /nfs/dbraw/zinc/96/92/53/803969253.db2.gz YSMKYTKQHLFRNH-XQQFMLRXSA-N 2 1 258.356 2.305 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@@H]2C1 ZINC000931439745 803969259 /nfs/dbraw/zinc/96/92/59/803969259.db2.gz YSMKYTKQHLFRNH-XQQFMLRXSA-N 2 1 258.356 2.305 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001027433414 804074948 /nfs/dbraw/zinc/07/49/48/804074948.db2.gz YPMUMMBKXFGEKT-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001027433414 804074957 /nfs/dbraw/zinc/07/49/57/804074957.db2.gz YPMUMMBKXFGEKT-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001027433414 804074967 /nfs/dbraw/zinc/07/49/67/804074967.db2.gz YPMUMMBKXFGEKT-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449076 804077261 /nfs/dbraw/zinc/07/72/61/804077261.db2.gz QRPDBCODGUDVTC-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027449076 804077269 /nfs/dbraw/zinc/07/72/69/804077269.db2.gz QRPDBCODGUDVTC-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027449076 804077276 /nfs/dbraw/zinc/07/72/76/804077276.db2.gz QRPDBCODGUDVTC-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001027601613 804147004 /nfs/dbraw/zinc/14/70/04/804147004.db2.gz FQEHWPHMIBXTJC-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC(C)(C)C ZINC001027795150 804261613 /nfs/dbraw/zinc/26/16/13/804261613.db2.gz PJYRUABEUOCKGC-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001027795150 804261619 /nfs/dbraw/zinc/26/16/19/804261619.db2.gz PJYRUABEUOCKGC-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC(C)(C)C ZINC001027795150 804261628 /nfs/dbraw/zinc/26/16/28/804261628.db2.gz PJYRUABEUOCKGC-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CC[C@H](C2CC2)O1 ZINC000722322181 804285757 /nfs/dbraw/zinc/28/57/57/804285757.db2.gz PWQLUBYOVKALFV-JKSUJKDBSA-N 2 1 264.413 2.160 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000399271782 804358561 /nfs/dbraw/zinc/35/85/61/804358561.db2.gz UONIJMDBHNOJLZ-ZJUUUORDSA-N 2 1 251.201 2.241 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@](C)(O)C1 ZINC001167823918 804378417 /nfs/dbraw/zinc/37/84/17/804378417.db2.gz ALEWVLCLAJLELY-GJZGRUSLSA-N 2 1 256.434 2.344 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716028129 815014886 /nfs/dbraw/zinc/01/48/86/815014886.db2.gz ZKFYUTIEQYQLCF-RKFYDKJMSA-N 2 1 254.443 2.391 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC2(CN(C)C2)C1 ZINC001167841044 804441667 /nfs/dbraw/zinc/44/16/67/804441667.db2.gz JRAHYFGHWZBZMT-OAHLLOKOSA-N 2 1 267.461 2.134 20 0 CEADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)CC1=CCCCC1 ZINC001268255294 804578084 /nfs/dbraw/zinc/57/80/84/804578084.db2.gz WDRYJNIPFPKANK-UHFFFAOYSA-N 2 1 295.471 2.219 20 0 CEADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)CC1=CCCCC1 ZINC001268255294 804578088 /nfs/dbraw/zinc/57/80/88/804578088.db2.gz WDRYJNIPFPKANK-UHFFFAOYSA-N 2 1 295.471 2.219 20 0 CEADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)CC1=CCCCC1 ZINC001268255294 804578092 /nfs/dbraw/zinc/57/80/92/804578092.db2.gz WDRYJNIPFPKANK-UHFFFAOYSA-N 2 1 295.471 2.219 20 0 CEADMP CCCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001268425346 804665389 /nfs/dbraw/zinc/66/53/89/804665389.db2.gz DLSNQQTZUFJQJF-GJZGRUSLSA-N 2 1 283.460 2.145 20 0 CEADMP CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001028537934 804834998 /nfs/dbraw/zinc/83/49/98/804834998.db2.gz VPJHGVWKNVDDIA-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028537934 804835006 /nfs/dbraw/zinc/83/50/06/804835006.db2.gz VPJHGVWKNVDDIA-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537934 804835012 /nfs/dbraw/zinc/83/50/12/804835012.db2.gz VPJHGVWKNVDDIA-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001028537935 804835760 /nfs/dbraw/zinc/83/57/60/804835760.db2.gz VPJHGVWKNVDDIA-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028537935 804835768 /nfs/dbraw/zinc/83/57/68/804835768.db2.gz VPJHGVWKNVDDIA-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537935 804835771 /nfs/dbraw/zinc/83/57/71/804835771.db2.gz VPJHGVWKNVDDIA-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1=CCCCC1)[NH+](C)C ZINC001268754011 804959178 /nfs/dbraw/zinc/95/91/78/804959178.db2.gz YUWUHBJCFBJJAD-HOCLYGCPSA-N 2 1 295.471 2.264 20 0 CEADMP CC(C)(O)[C@@H]1CCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168387760 807044562 /nfs/dbraw/zinc/04/45/62/807044562.db2.gz SNIHTMPOYXOHPE-HNNXBMFYSA-N 2 1 266.429 2.096 20 0 CEADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167952260 805183389 /nfs/dbraw/zinc/18/33/89/805183389.db2.gz NCYSPEWBFKOBAJ-WTTBNOFXSA-N 2 1 278.440 2.360 20 0 CEADMP CC(C)=CC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001269541152 805192458 /nfs/dbraw/zinc/19/24/58/805192458.db2.gz ZIOFDLSVUWLKHV-GASCZTMLSA-N 2 1 293.455 2.064 20 0 CEADMP CCN(CC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981829 805515648 /nfs/dbraw/zinc/51/56/48/805515648.db2.gz MAFOITHTVTUITM-SJPCQFCGSA-N 2 1 279.472 2.275 20 0 CEADMP O[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@@H]1F ZINC001167983312 805519666 /nfs/dbraw/zinc/51/96/66/805519666.db2.gz FQUWLAWBQGMXKF-ALILYOIUSA-N 2 1 296.430 2.187 20 0 CEADMP O[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@@H]1F ZINC001167983312 805519669 /nfs/dbraw/zinc/51/96/69/805519669.db2.gz FQUWLAWBQGMXKF-ALILYOIUSA-N 2 1 296.430 2.187 20 0 CEADMP O[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@@H]1F ZINC001167983312 805519676 /nfs/dbraw/zinc/51/96/76/805519676.db2.gz FQUWLAWBQGMXKF-ALILYOIUSA-N 2 1 296.430 2.187 20 0 CEADMP CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001029099842 805527005 /nfs/dbraw/zinc/52/70/05/805527005.db2.gz WYDCSKFULGFZEJ-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@]1(C)O ZINC001167984801 805536390 /nfs/dbraw/zinc/53/63/90/805536390.db2.gz RVLIOVLYVNOSQN-XYAUDYEYSA-N 2 1 292.467 2.485 20 0 CEADMP OCC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167986620 805550471 /nfs/dbraw/zinc/55/04/71/805550471.db2.gz HHEHCABHVPUZOW-SJPCQFCGSA-N 2 1 278.440 2.096 20 0 CEADMP CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001029173041 805570158 /nfs/dbraw/zinc/57/01/58/805570158.db2.gz JXLGDQWGKLEELS-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001029173042 805570242 /nfs/dbraw/zinc/57/02/42/805570242.db2.gz JXLGDQWGKLEELS-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000229088869 807235981 /nfs/dbraw/zinc/23/59/81/807235981.db2.gz GEWNFZWMIGGUQK-CABCVRRESA-N 2 1 292.423 2.381 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001089226307 807441414 /nfs/dbraw/zinc/44/14/14/807441414.db2.gz DNVMVTXGWMVGPX-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001089226307 807441420 /nfs/dbraw/zinc/44/14/20/807441420.db2.gz DNVMVTXGWMVGPX-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001089226307 807441426 /nfs/dbraw/zinc/44/14/26/807441426.db2.gz DNVMVTXGWMVGPX-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2CCC(C)(C)C)C1=O ZINC001272496479 807548996 /nfs/dbraw/zinc/54/89/96/807548996.db2.gz ZKHABXIQDBNNIY-QGZVFWFLSA-N 2 1 295.471 2.051 20 0 CEADMP Nc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205110342 807671710 /nfs/dbraw/zinc/67/17/10/807671710.db2.gz SOYMVXYMQBZLRZ-LBPRGKRZSA-N 2 1 253.777 2.235 20 0 CEADMP Nc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205110342 807671712 /nfs/dbraw/zinc/67/17/12/807671712.db2.gz SOYMVXYMQBZLRZ-LBPRGKRZSA-N 2 1 253.777 2.235 20 0 CEADMP COc1cc(C)cc(OC)c1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205110463 807673279 /nfs/dbraw/zinc/67/32/79/807673279.db2.gz STRJQBGPLYZAEB-ZDUSSCGKSA-N 2 1 278.396 2.325 20 0 CEADMP COc1cc(C)cc(OC)c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205110463 807673283 /nfs/dbraw/zinc/67/32/83/807673283.db2.gz STRJQBGPLYZAEB-ZDUSSCGKSA-N 2 1 278.396 2.325 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C)(O)CC2)CC1(C)C ZINC001119665629 815146689 /nfs/dbraw/zinc/14/66/89/815146689.db2.gz VZKVKYOWMKBHGI-OWYJLGKBSA-N 2 1 254.418 2.142 20 0 CEADMP COc1ccccc1CCC[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235976850 807902989 /nfs/dbraw/zinc/90/29/89/807902989.db2.gz CJGJXMQUNPQFAF-HOCLYGCPSA-N 2 1 260.381 2.051 20 0 CEADMP COc1ccccc1CCC[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235976850 807902993 /nfs/dbraw/zinc/90/29/93/807902993.db2.gz CJGJXMQUNPQFAF-HOCLYGCPSA-N 2 1 260.381 2.051 20 0 CEADMP [NH3+][C@@]12CC[C@@H]1C[N@H+](CCc1ccc(Cl)cc1)C2 ZINC001235977989 807903652 /nfs/dbraw/zinc/90/36/52/807903652.db2.gz ICVSJBRNTRABEI-TZMCWYRMSA-N 2 1 250.773 2.306 20 0 CEADMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CCc1ccc(Cl)cc1)C2 ZINC001235977989 807903657 /nfs/dbraw/zinc/90/36/57/807903657.db2.gz ICVSJBRNTRABEI-TZMCWYRMSA-N 2 1 250.773 2.306 20 0 CEADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001089616994 808073512 /nfs/dbraw/zinc/07/35/12/808073512.db2.gz QRSQHKVANHOUGK-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001089616994 808073519 /nfs/dbraw/zinc/07/35/19/808073519.db2.gz QRSQHKVANHOUGK-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001089616994 808073527 /nfs/dbraw/zinc/07/35/27/808073527.db2.gz QRSQHKVANHOUGK-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@](C)(CO)C2)CC1(C)C ZINC001171630678 815201855 /nfs/dbraw/zinc/20/18/55/815201855.db2.gz APLHFEDWYJQQOE-INIZCTEOSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)N1C[C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1=O ZINC001171622972 815206503 /nfs/dbraw/zinc/20/65/03/815206503.db2.gz FPUWXILBQQFRSG-CYBMUJFWSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@@H]1C[C@@H](n2ccnc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171727111 815218795 /nfs/dbraw/zinc/21/87/95/815218795.db2.gz PSZDOFHXWUTCAN-UKRRQHHQSA-N 2 1 270.380 2.177 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c(C)c1 ZINC000921629188 808645101 /nfs/dbraw/zinc/64/51/01/808645101.db2.gz AFIUXJJJKBDTRW-CQSZACIVSA-N 2 1 271.364 2.305 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2Cc3cccc(F)c3C2)C1 ZINC001171776450 815231271 /nfs/dbraw/zinc/23/12/71/815231271.db2.gz WXTQPQUVRFGDDN-JSGCOSHPSA-N 2 1 262.372 2.224 20 0 CEADMP CC(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998764411 808762885 /nfs/dbraw/zinc/76/28/85/808762885.db2.gz RFSQXDXMCPZFLF-UYSNPLJNSA-N 2 1 295.471 2.094 20 0 CEADMP COC[C@H](C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C(C)C ZINC000721920956 808857397 /nfs/dbraw/zinc/85/73/97/808857397.db2.gz QYKSLRHUSDRPOP-FRRDWIJNSA-N 2 1 296.377 2.364 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000450693964 808941437 /nfs/dbraw/zinc/94/14/37/808941437.db2.gz GDGCNPBTLSZCKL-LAVFITLUSA-N 2 1 288.435 2.177 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC001171948401 815258654 /nfs/dbraw/zinc/25/86/54/815258654.db2.gz IATUWLJUKGJIOI-GJEMEMOUSA-N 2 1 296.455 2.428 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC001171948401 815258655 /nfs/dbraw/zinc/25/86/55/815258655.db2.gz IATUWLJUKGJIOI-GJEMEMOUSA-N 2 1 296.455 2.428 20 0 CEADMP CCCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001273010990 809116969 /nfs/dbraw/zinc/11/69/69/809116969.db2.gz ZULQRLIZHNTOHT-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001032958878 809128054 /nfs/dbraw/zinc/12/80/54/809128054.db2.gz BWNRSIFUDQJKGL-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001032958878 809128055 /nfs/dbraw/zinc/12/80/55/809128055.db2.gz BWNRSIFUDQJKGL-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001032958878 809128059 /nfs/dbraw/zinc/12/80/59/809128059.db2.gz BWNRSIFUDQJKGL-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001033146536 809201262 /nfs/dbraw/zinc/20/12/62/809201262.db2.gz PWGHANYYGWZZTO-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033146536 809201264 /nfs/dbraw/zinc/20/12/64/809201264.db2.gz PWGHANYYGWZZTO-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033146536 809201268 /nfs/dbraw/zinc/20/12/68/809201268.db2.gz PWGHANYYGWZZTO-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223663 809239107 /nfs/dbraw/zinc/23/91/07/809239107.db2.gz SROKVTXEKNTEGI-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033223663 809239108 /nfs/dbraw/zinc/23/91/08/809239108.db2.gz SROKVTXEKNTEGI-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033223663 809239109 /nfs/dbraw/zinc/23/91/09/809239109.db2.gz SROKVTXEKNTEGI-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172030012 815273511 /nfs/dbraw/zinc/27/35/11/815273511.db2.gz HBROHMJMFLPZLL-FVQBIDKESA-N 2 1 293.455 2.122 20 0 CEADMP CCCC[NH+]1CCC([NH2+]Cc2cncc(OC)c2)CC1 ZINC000700051530 809275676 /nfs/dbraw/zinc/27/56/76/809275676.db2.gz XHFMDSRFDHPAPX-UHFFFAOYSA-N 2 1 277.412 2.444 20 0 CEADMP COc1cncc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000700075846 809277275 /nfs/dbraw/zinc/27/72/75/809277275.db2.gz SGXDQDXMTKPBIK-UHFFFAOYSA-N 2 1 263.385 2.056 20 0 CEADMP CCCC[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476992 809314961 /nfs/dbraw/zinc/31/49/61/809314961.db2.gz ZLMDBGHMZONRMH-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnn3ccccc23)C1 ZINC000700811186 809354450 /nfs/dbraw/zinc/35/44/50/809354450.db2.gz AYAIKDZKYAKVFA-CQSZACIVSA-N 2 1 272.396 2.156 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnn3ccccc23)C1 ZINC000700811186 809354459 /nfs/dbraw/zinc/35/44/59/809354459.db2.gz AYAIKDZKYAKVFA-CQSZACIVSA-N 2 1 272.396 2.156 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncs1)C2 ZINC001172098525 815283064 /nfs/dbraw/zinc/28/30/64/815283064.db2.gz FNIMTSCVMVQBMD-CNDDSTCGSA-N 2 1 251.399 2.248 20 0 CEADMP Cc1cccnc1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099504 815283199 /nfs/dbraw/zinc/28/31/99/815283199.db2.gz IVUTWYYQJVFWSM-QKDCVEJESA-N 2 1 259.397 2.495 20 0 CEADMP Cc1cccnc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099504 815283203 /nfs/dbraw/zinc/28/32/03/815283203.db2.gz IVUTWYYQJVFWSM-QKDCVEJESA-N 2 1 259.397 2.495 20 0 CEADMP Cc1cccnc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099504 815283205 /nfs/dbraw/zinc/28/32/05/815283205.db2.gz IVUTWYYQJVFWSM-QKDCVEJESA-N 2 1 259.397 2.495 20 0 CEADMP [NH3+]CCON[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061885 815284096 /nfs/dbraw/zinc/28/40/96/815284096.db2.gz JKBBZQHBNHDKFY-OSYLJGHBSA-N 2 1 289.423 2.052 20 0 CEADMP CCCN(CCC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100236 815284786 /nfs/dbraw/zinc/28/47/86/815284786.db2.gz BUZNZHRNVRDLDZ-FICVDOATSA-N 2 1 253.434 2.063 20 0 CEADMP CCC[N@H+](CCC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172100236 815284789 /nfs/dbraw/zinc/28/47/89/815284789.db2.gz BUZNZHRNVRDLDZ-FICVDOATSA-N 3 1 253.434 2.063 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172100236 815284792 /nfs/dbraw/zinc/28/47/92/815284792.db2.gz BUZNZHRNVRDLDZ-FICVDOATSA-N 3 1 253.434 2.063 20 0 CEADMP COC(=O)CC[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172124641 815286084 /nfs/dbraw/zinc/28/60/84/815286084.db2.gz MJUSNVOESUALBP-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)CC[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172124641 815286090 /nfs/dbraw/zinc/28/60/90/815286090.db2.gz MJUSNVOESUALBP-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)CC[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172124641 815286094 /nfs/dbraw/zinc/28/60/94/815286094.db2.gz MJUSNVOESUALBP-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)CC[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172124641 815286099 /nfs/dbraw/zinc/28/60/99/815286099.db2.gz MJUSNVOESUALBP-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033834425 809430621 /nfs/dbraw/zinc/43/06/21/809430621.db2.gz FXQVQAOIPVLOOV-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033834425 809430623 /nfs/dbraw/zinc/43/06/23/809430623.db2.gz FXQVQAOIPVLOOV-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033834425 809430626 /nfs/dbraw/zinc/43/06/26/809430626.db2.gz FXQVQAOIPVLOOV-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP Cc1noc(C)c1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172101851 815293869 /nfs/dbraw/zinc/29/38/69/815293869.db2.gz CEQVPNCBPRYJPZ-BTTYYORXSA-N 2 1 263.385 2.396 20 0 CEADMP Cc1noc(C)c1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101851 815293872 /nfs/dbraw/zinc/29/38/72/815293872.db2.gz CEQVPNCBPRYJPZ-BTTYYORXSA-N 2 1 263.385 2.396 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC(=O)NC1CCCC1)C2 ZINC001172103126 815294027 /nfs/dbraw/zinc/29/40/27/815294027.db2.gz SFEHNTVSTNWLEM-PHZGNYQRSA-N 2 1 293.455 2.040 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1cccc(O)c1)C2 ZINC001172104586 815295273 /nfs/dbraw/zinc/29/52/73/815295273.db2.gz DGAWKEMJJGDDKU-IVSAIRAKSA-N 2 1 290.407 2.031 20 0 CEADMP CC(C)=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034129131 809525836 /nfs/dbraw/zinc/52/58/36/809525836.db2.gz AHPOLBPCMVYYTR-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034129131 809525843 /nfs/dbraw/zinc/52/58/43/809525843.db2.gz AHPOLBPCMVYYTR-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034129131 809525846 /nfs/dbraw/zinc/52/58/46/809525846.db2.gz AHPOLBPCMVYYTR-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCOc1ccccn1)C2 ZINC001172104551 815296363 /nfs/dbraw/zinc/29/63/63/815296363.db2.gz CRLZBTJPVFHMTG-QKDCVEJESA-N 2 1 275.396 2.065 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1CO)C2 ZINC001172106249 815296425 /nfs/dbraw/zinc/29/64/25/815296425.db2.gz OCMCDLXMTQTZDI-BJWYYQGGSA-N 2 1 274.408 2.284 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1CO)C2 ZINC001172106249 815296430 /nfs/dbraw/zinc/29/64/30/815296430.db2.gz OCMCDLXMTQTZDI-BJWYYQGGSA-N 2 1 274.408 2.284 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC13CCOCC3)C2 ZINC001172107483 815297028 /nfs/dbraw/zinc/29/70/28/815297028.db2.gz YGCLPRJRHCXWAM-XGUBFFRZSA-N 2 1 264.413 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC13CCOCC3)C2 ZINC001172107483 815297033 /nfs/dbraw/zinc/29/70/33/815297033.db2.gz YGCLPRJRHCXWAM-XGUBFFRZSA-N 2 1 264.413 2.160 20 0 CEADMP C[C@@H](Cc1cnccn1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105075 815297073 /nfs/dbraw/zinc/29/70/73/815297073.db2.gz GGZQRGBWEDWVDZ-UGQVUOCMSA-N 2 1 274.412 2.013 20 0 CEADMP C[C@@H](Cc1cnccn1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105075 815297077 /nfs/dbraw/zinc/29/70/77/815297077.db2.gz GGZQRGBWEDWVDZ-UGQVUOCMSA-N 2 1 274.412 2.013 20 0 CEADMP COC[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172109341 815297539 /nfs/dbraw/zinc/29/75/39/815297539.db2.gz CQMHNXNMUCXCQJ-LJISPDSOSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172109341 815297544 /nfs/dbraw/zinc/29/75/44/815297544.db2.gz CQMHNXNMUCXCQJ-LJISPDSOSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172109341 815297548 /nfs/dbraw/zinc/29/75/48/815297548.db2.gz CQMHNXNMUCXCQJ-LJISPDSOSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172109341 815297554 /nfs/dbraw/zinc/29/75/54/815297554.db2.gz CQMHNXNMUCXCQJ-LJISPDSOSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172109341 815297558 /nfs/dbraw/zinc/29/75/58/815297558.db2.gz CQMHNXNMUCXCQJ-LJISPDSOSA-N 2 1 252.402 2.113 20 0 CEADMP CCCC[C@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172108417 815297600 /nfs/dbraw/zinc/29/76/00/815297600.db2.gz WGXVSGBNDSMNPT-TUVASFSCSA-N 2 1 254.418 2.142 20 0 CEADMP CCCC[C@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172108417 815297606 /nfs/dbraw/zinc/29/76/06/815297606.db2.gz WGXVSGBNDSMNPT-TUVASFSCSA-N 2 1 254.418 2.142 20 0 CEADMP C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cnccn1 ZINC001172108872 815298096 /nfs/dbraw/zinc/29/80/96/815298096.db2.gz HESUGYSQUVCEBK-FQUUOJAGSA-N 2 1 260.385 2.143 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cnccn1 ZINC001172108872 815298098 /nfs/dbraw/zinc/29/80/98/815298098.db2.gz HESUGYSQUVCEBK-FQUUOJAGSA-N 2 1 260.385 2.143 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cnccn1 ZINC001172108872 815298101 /nfs/dbraw/zinc/29/81/01/815298101.db2.gz HESUGYSQUVCEBK-FQUUOJAGSA-N 2 1 260.385 2.143 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)C2 ZINC001172108244 815298140 /nfs/dbraw/zinc/29/81/40/815298140.db2.gz TWPGPPGINMPVIV-HCAJQNDMSA-N 2 1 266.429 2.142 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)C2 ZINC001172108244 815298144 /nfs/dbraw/zinc/29/81/44/815298144.db2.gz TWPGPPGINMPVIV-HCAJQNDMSA-N 2 1 266.429 2.142 20 0 CEADMP COc1ccc(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC001172109768 815298615 /nfs/dbraw/zinc/29/86/15/815298615.db2.gz LCFRJFDEQYTHEP-QDMKHBRRSA-N 2 1 275.396 2.195 20 0 CEADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nc1 ZINC001172109768 815298618 /nfs/dbraw/zinc/29/86/18/815298618.db2.gz LCFRJFDEQYTHEP-QDMKHBRRSA-N 2 1 275.396 2.195 20 0 CEADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC001172109768 815298622 /nfs/dbraw/zinc/29/86/22/815298622.db2.gz LCFRJFDEQYTHEP-QDMKHBRRSA-N 2 1 275.396 2.195 20 0 CEADMP CC(C)NC(=O)[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001172110279 815301716 /nfs/dbraw/zinc/30/17/16/815301716.db2.gz MHUGFXBAHDEGBC-FZKCQIBNSA-N 2 1 295.471 2.141 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CC[NH+](CC3CCC3)C1)C2 ZINC001172113015 815302116 /nfs/dbraw/zinc/30/21/16/815302116.db2.gz DNWVJYNVEPDMQA-FJIDUMEYSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001172113015 815302122 /nfs/dbraw/zinc/30/21/22/815302122.db2.gz DNWVJYNVEPDMQA-FJIDUMEYSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001172113015 815302128 /nfs/dbraw/zinc/30/21/28/815302128.db2.gz DNWVJYNVEPDMQA-FJIDUMEYSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)O)C2 ZINC001172112974 815304311 /nfs/dbraw/zinc/30/43/11/815304311.db2.gz BERJEGUHPTUFPL-BTTYYORXSA-N 2 1 254.418 2.142 20 0 CEADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@]1(C)O ZINC001172117473 815307073 /nfs/dbraw/zinc/30/70/73/815307073.db2.gz HFLUGSSUHMUWMP-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@]1(C)O ZINC001172117473 815307079 /nfs/dbraw/zinc/30/70/79/815307079.db2.gz HFLUGSSUHMUWMP-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@]1(C)O ZINC001172117473 815307084 /nfs/dbraw/zinc/30/70/84/815307084.db2.gz HFLUGSSUHMUWMP-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@]1(C)O ZINC001172117473 815307091 /nfs/dbraw/zinc/30/70/91/815307091.db2.gz HFLUGSSUHMUWMP-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@@H]1O ZINC001172116611 815305188 /nfs/dbraw/zinc/30/51/88/815305188.db2.gz BLWOELTXLVKZKG-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@@H]1O ZINC001172116611 815305195 /nfs/dbraw/zinc/30/51/95/815305195.db2.gz BLWOELTXLVKZKG-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[C@@H]1O ZINC001172116611 815305202 /nfs/dbraw/zinc/30/52/02/815305202.db2.gz BLWOELTXLVKZKG-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[C@@H]1O ZINC001172116611 815305207 /nfs/dbraw/zinc/30/52/07/815305207.db2.gz BLWOELTXLVKZKG-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC[C@H]1CC1(Cl)Cl)C2 ZINC000703574904 809666764 /nfs/dbraw/zinc/66/67/64/809666764.db2.gz AWJKDELLQLKIRB-GARJFASQSA-N 2 1 263.212 2.112 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC[C@H]1CC1(Cl)Cl)C2 ZINC000703574904 809666767 /nfs/dbraw/zinc/66/67/67/809666767.db2.gz AWJKDELLQLKIRB-GARJFASQSA-N 2 1 263.212 2.112 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H]3CCO[C@H]3C1)C2 ZINC001172121689 815311797 /nfs/dbraw/zinc/31/17/97/815311797.db2.gz SQXNSFNGHSEMOT-LJIZCISZSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H]3CCO[C@H]3C1)C2 ZINC001172121689 815311803 /nfs/dbraw/zinc/31/18/03/815311803.db2.gz SQXNSFNGHSEMOT-LJIZCISZSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H]3CCO[C@H]3C1)C2 ZINC001172121689 815311809 /nfs/dbraw/zinc/31/18/09/815311809.db2.gz SQXNSFNGHSEMOT-LJIZCISZSA-N 2 1 264.413 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+](C(C)(C)C)CC1)C2 ZINC001172124251 815314517 /nfs/dbraw/zinc/31/45/17/815314517.db2.gz JUVWFARPCZIVAZ-MUJYYYPQSA-N 2 1 279.472 2.418 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@]3(CCO3)C1)C2 ZINC001172124099 815314753 /nfs/dbraw/zinc/31/47/53/815314753.db2.gz JJZDTIJMSVWMBC-FZKCQIBNSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@]3(CCO3)C1)C2 ZINC001172124099 815314759 /nfs/dbraw/zinc/31/47/59/815314759.db2.gz JJZDTIJMSVWMBC-FZKCQIBNSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@]3(CCO3)C1)C2 ZINC001172124099 815314766 /nfs/dbraw/zinc/31/47/66/815314766.db2.gz JJZDTIJMSVWMBC-FZKCQIBNSA-N 2 1 264.413 2.257 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[NH+]3CCC[C@@H]3C1)C2 ZINC001172122943 815315109 /nfs/dbraw/zinc/31/51/09/815315109.db2.gz WFDOEOSKUAVPTH-TWMKSMIVSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[N@@H+]3CCC[C@@H]3C1)C2 ZINC001172122943 815315115 /nfs/dbraw/zinc/31/51/15/815315115.db2.gz WFDOEOSKUAVPTH-TWMKSMIVSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[N@H+]3CCC[C@@H]3C1)C2 ZINC001172122943 815315120 /nfs/dbraw/zinc/31/51/20/815315120.db2.gz WFDOEOSKUAVPTH-TWMKSMIVSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+](C)CC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172122897 815315784 /nfs/dbraw/zinc/31/57/84/815315784.db2.gz VERFEMQNZMXTJN-BJWYYQGGSA-N 3 1 279.472 2.275 20 0 CEADMP C[NH+](C)CC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172122897 815315790 /nfs/dbraw/zinc/31/57/90/815315790.db2.gz VERFEMQNZMXTJN-BJWYYQGGSA-N 3 1 279.472 2.275 20 0 CEADMP CC(C)[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001036556861 809921697 /nfs/dbraw/zinc/92/16/97/809921697.db2.gz SUJQKYOKKSXCQA-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000708341956 809927151 /nfs/dbraw/zinc/92/71/51/809927151.db2.gz ONTBYTNKBWKQIM-MOTUXRJWSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CC(C)(C)OC1(C)C ZINC000709689179 809952727 /nfs/dbraw/zinc/95/27/27/809952727.db2.gz UWNLTQXFIGBGFR-AGIUHOORSA-N 2 1 254.418 2.392 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)CC[C@H]1[NH3+] ZINC000709688589 809952757 /nfs/dbraw/zinc/95/27/57/809952757.db2.gz SQGFFECVNXIBQM-FRRDWIJNSA-N 2 1 254.418 2.249 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC[C@H](CC[NH3+])C2)C(C)(C)O1 ZINC000709702295 809953809 /nfs/dbraw/zinc/95/38/09/809953809.db2.gz MISRPEZNSDAHIT-QWHCGFSZSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@]1(C(F)(F)F)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000709638307 809968815 /nfs/dbraw/zinc/96/88/15/809968815.db2.gz PVPFAWKJINSQKQ-NSHDSACASA-N 2 1 250.308 2.260 20 0 CEADMP c1ccc(COCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000709904804 809975246 /nfs/dbraw/zinc/97/52/46/809975246.db2.gz NTMDOGURYHOFOX-QGZVFWFLSA-N 2 1 274.408 2.279 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1ccns1 ZINC000709917623 809975310 /nfs/dbraw/zinc/97/53/10/809975310.db2.gz YHUXZXCSDXGAHD-YOGCLGLASA-N 2 1 251.399 2.030 20 0 CEADMP Cc1cc(C)cc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000710368797 809986861 /nfs/dbraw/zinc/98/68/61/809986861.db2.gz MHDNEFZPUXCWLX-VIQHNZTISA-N 2 1 256.393 2.389 20 0 CEADMP C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)CCCCCC[NH3+] ZINC000710695368 809990232 /nfs/dbraw/zinc/99/02/32/809990232.db2.gz UNHYDYYSZPYMPE-CQSZACIVSA-N 2 1 283.460 2.275 20 0 CEADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206163109 815334320 /nfs/dbraw/zinc/33/43/20/815334320.db2.gz AAZXAJXRZKXLPE-KGLIPLIRSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206163109 815334327 /nfs/dbraw/zinc/33/43/27/815334327.db2.gz AAZXAJXRZKXLPE-KGLIPLIRSA-N 2 1 254.324 2.395 20 0 CEADMP CCCC[N@@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218501 815335535 /nfs/dbraw/zinc/33/55/35/815335535.db2.gz WACPVARTFDKSFD-GOOCMWNKSA-N 2 1 254.418 2.408 20 0 CEADMP CC1(C)C[C@H](C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C(C)(C)O1 ZINC000711223566 810050160 /nfs/dbraw/zinc/05/01/60/810050160.db2.gz IWIVESLBBSLIGQ-RDBSUJKOSA-N 2 1 266.429 2.406 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C(C)(C)O1 ZINC000711223566 810050164 /nfs/dbraw/zinc/05/01/64/810050164.db2.gz IWIVESLBBSLIGQ-RDBSUJKOSA-N 2 1 266.429 2.406 20 0 CEADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000923383725 810090350 /nfs/dbraw/zinc/09/03/50/810090350.db2.gz LZZJFRFZRANBHL-HIFRSBDPSA-N 2 1 252.402 2.020 20 0 CEADMP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014964796 810248791 /nfs/dbraw/zinc/24/87/91/810248791.db2.gz RVOYMMZZOFHRJQ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014964796 810248795 /nfs/dbraw/zinc/24/87/95/810248795.db2.gz RVOYMMZZOFHRJQ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001014964796 810248801 /nfs/dbraw/zinc/24/88/01/810248801.db2.gz RVOYMMZZOFHRJQ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001014964796 810248809 /nfs/dbraw/zinc/24/88/09/810248809.db2.gz RVOYMMZZOFHRJQ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCOC(=O)Cc1cc[nH+]c(N(CCC[NH3+])C(C)C)c1C ZINC001164122475 810296785 /nfs/dbraw/zinc/29/67/85/810296785.db2.gz IMCDGNVLFCDNJJ-UHFFFAOYSA-N 2 1 293.411 2.059 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]C[C@H](C)CC)C1 ZINC001164449782 810371950 /nfs/dbraw/zinc/37/19/50/810371950.db2.gz RHSCPMLXOJKMTE-HZPDHXFCSA-N 2 1 297.487 2.250 20 0 CEADMP O[C@@]1(C[NH2+]C/C=C/C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001119003444 810394424 /nfs/dbraw/zinc/39/44/24/810394424.db2.gz MFLHESZGWRNKHC-WEBJUUICSA-N 2 1 286.419 2.179 20 0 CEADMP O[C@@]1(C[NH2+]C/C=C/C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001119003444 810394431 /nfs/dbraw/zinc/39/44/31/810394431.db2.gz MFLHESZGWRNKHC-WEBJUUICSA-N 2 1 286.419 2.179 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001017144831 810496939 /nfs/dbraw/zinc/49/69/39/810496939.db2.gz AJWJPCQZJTYDKY-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001017144831 810496942 /nfs/dbraw/zinc/49/69/42/810496942.db2.gz AJWJPCQZJTYDKY-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001017144831 810496946 /nfs/dbraw/zinc/49/69/46/810496946.db2.gz AJWJPCQZJTYDKY-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH2+]Cc1cccc(Nc2cc(N(C)C)nc(C)[nH+]2)c1 ZINC001167033327 810514973 /nfs/dbraw/zinc/51/49/73/810514973.db2.gz VORPHLNYXMZEGY-UHFFFAOYSA-N 2 1 271.368 2.314 20 0 CEADMP C[NH2+]Cc1cccc(Nc2cc(N(C)C)[nH+]c(C)n2)c1 ZINC001167033327 810514980 /nfs/dbraw/zinc/51/49/80/810514980.db2.gz VORPHLNYXMZEGY-UHFFFAOYSA-N 2 1 271.368 2.314 20 0 CEADMP CCN(CC[NH2+]CCCC1CCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001273298548 810642703 /nfs/dbraw/zinc/64/27/03/810642703.db2.gz SJIWYFFTKRXNFM-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@H](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001172380342 815392292 /nfs/dbraw/zinc/39/22/92/815392292.db2.gz WILOEOHQOPZMCO-SMLCLMEVSA-N 2 1 280.456 2.464 20 0 CEADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@H](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001172380342 815392299 /nfs/dbraw/zinc/39/22/99/815392299.db2.gz WILOEOHQOPZMCO-SMLCLMEVSA-N 2 1 280.456 2.464 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001172380342 815392303 /nfs/dbraw/zinc/39/23/03/815392303.db2.gz WILOEOHQOPZMCO-SMLCLMEVSA-N 2 1 280.456 2.464 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CC[C@H](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001172380342 815392310 /nfs/dbraw/zinc/39/23/10/815392310.db2.gz WILOEOHQOPZMCO-SMLCLMEVSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCN2CCC[N@@H+](C)CC2)C[C@@H]1C ZINC001172362896 815403633 /nfs/dbraw/zinc/40/36/33/815403633.db2.gz ALQJHFVAPDXASG-OWCLPIDISA-N 2 1 267.461 2.038 20 0 CEADMP COC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC001168772617 811014780 /nfs/dbraw/zinc/01/47/80/811014780.db2.gz MIEZTLMHKUHOJW-PGOFDVKTSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC001168772617 811014784 /nfs/dbraw/zinc/01/47/84/811014784.db2.gz MIEZTLMHKUHOJW-PGOFDVKTSA-N 2 1 282.428 2.038 20 0 CEADMP CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001039431493 811029581 /nfs/dbraw/zinc/02/95/81/811029581.db2.gz FHCNWAZUYUOTEU-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041404257 811165260 /nfs/dbraw/zinc/16/52/60/811165260.db2.gz RKPBOWJBOVICKF-NVXWUHKLSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000382038047 811179838 /nfs/dbraw/zinc/17/98/38/811179838.db2.gz HDEWWWMOXQILBE-JUAVELKISA-N 2 1 299.462 2.093 20 0 CEADMP C([NH2+][C@H]1CC2CCC1CC2)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000382059675 811197361 /nfs/dbraw/zinc/19/73/61/811197361.db2.gz XRYVWAOAXDEQPC-PEHJNBARSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+][C@H]1CC2CCC1CC2)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000382059675 811197367 /nfs/dbraw/zinc/19/73/67/811197367.db2.gz XRYVWAOAXDEQPC-PEHJNBARSA-N 2 1 264.413 2.018 20 0 CEADMP CC(C)OCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001172437316 815436548 /nfs/dbraw/zinc/43/65/48/815436548.db2.gz GBPWGXPYJDTOGQ-APIJFGDWSA-N 2 1 254.418 2.405 20 0 CEADMP CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001043198155 811358377 /nfs/dbraw/zinc/35/83/77/811358377.db2.gz DXYIKTFUPGBAGZ-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001043198155 811358388 /nfs/dbraw/zinc/35/83/88/811358388.db2.gz DXYIKTFUPGBAGZ-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@@H]([NH3+])Cc3ccccc31)C2 ZINC001169093553 811365345 /nfs/dbraw/zinc/36/53/45/811365345.db2.gz ILNPZNJFLAUOAF-CAOSSQGBSA-N 2 1 271.408 2.002 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099590 811370422 /nfs/dbraw/zinc/37/04/22/811370422.db2.gz CDXGVWDBYUQKRN-LUKYLMHMSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)C2 ZINC001169100976 811375282 /nfs/dbraw/zinc/37/52/82/811375282.db2.gz NHPJAEFKKBMVDB-ZSOGYDGISA-N 2 1 282.428 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc3c(c1)OCO3)C2 ZINC001169081327 811377023 /nfs/dbraw/zinc/37/70/23/811377023.db2.gz RFOCPXOVMRHKTJ-QKDCVEJESA-N 2 1 288.391 2.173 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3c(c1)OCCO3)C2 ZINC001169081357 811378201 /nfs/dbraw/zinc/37/82/01/811378201.db2.gz RXZAZCPIMJJACB-QKDCVEJESA-N 2 1 288.391 2.173 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3c(c1)OCCO3)C2 ZINC001169081357 811378210 /nfs/dbraw/zinc/37/82/10/811378210.db2.gz RXZAZCPIMJJACB-QKDCVEJESA-N 2 1 288.391 2.173 20 0 CEADMP COc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169078386 811378883 /nfs/dbraw/zinc/37/88/83/811378883.db2.gz DTWIZFMFHYURSN-QDMKHBRRSA-N 2 1 260.381 2.410 20 0 CEADMP COc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169078386 811378892 /nfs/dbraw/zinc/37/88/92/811378892.db2.gz DTWIZFMFHYURSN-QDMKHBRRSA-N 2 1 260.381 2.410 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)n2c1 ZINC001169082226 811381554 /nfs/dbraw/zinc/38/15/54/811381554.db2.gz YHRCOMNKTZWJTP-QKDCVEJESA-N 2 1 284.407 2.358 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)n2c1 ZINC001169082226 811381565 /nfs/dbraw/zinc/38/15/65/811381565.db2.gz YHRCOMNKTZWJTP-QKDCVEJESA-N 2 1 284.407 2.358 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3CCCO[C@@H]3C1)C2 ZINC001169129909 811399179 /nfs/dbraw/zinc/39/91/79/811399179.db2.gz LQHMZBTUXZGFJC-RBGFHDKUSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3CCCO[C@@H]3C1)C2 ZINC001169129909 811399185 /nfs/dbraw/zinc/39/91/85/811399185.db2.gz LQHMZBTUXZGFJC-RBGFHDKUSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H]3CCCO[C@@H]3C1)C2 ZINC001169129909 811399194 /nfs/dbraw/zinc/39/91/94/811399194.db2.gz LQHMZBTUXZGFJC-RBGFHDKUSA-N 2 1 264.413 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cnc3cccc(C[NH3+])c31)C2 ZINC001169110166 811403844 /nfs/dbraw/zinc/40/38/44/811403844.db2.gz LDQYMGAFCCQHHX-WDNDVIMCSA-N 2 1 270.380 2.293 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@H](C[NH3+])c3ccccc31)C2 ZINC001169108992 811404654 /nfs/dbraw/zinc/40/46/54/811404654.db2.gz XSEYRHMQAWQVMA-BYNSBNAKSA-N 2 1 271.408 2.174 20 0 CEADMP CCO[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169140974 811406130 /nfs/dbraw/zinc/40/61/30/811406130.db2.gz NJOPIFZHUBIAEC-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP CCO[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169140974 811406135 /nfs/dbraw/zinc/40/61/35/811406135.db2.gz NJOPIFZHUBIAEC-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP CCO[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169140974 811406138 /nfs/dbraw/zinc/40/61/38/811406138.db2.gz NJOPIFZHUBIAEC-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](C(=O)OC(C)(C)C)C1)C2 ZINC001169142757 811408081 /nfs/dbraw/zinc/40/80/81/811408081.db2.gz VHROOYTXHJMMBY-KBXIAJHMSA-N 2 1 294.439 2.275 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1)C2 ZINC001169142757 811408085 /nfs/dbraw/zinc/40/80/85/811408085.db2.gz VHROOYTXHJMMBY-KBXIAJHMSA-N 2 1 294.439 2.275 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1)C2 ZINC001169142757 811408089 /nfs/dbraw/zinc/40/80/89/811408089.db2.gz VHROOYTXHJMMBY-KBXIAJHMSA-N 2 1 294.439 2.275 20 0 CEADMP CCCO[C@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169141409 811409298 /nfs/dbraw/zinc/40/92/98/811409298.db2.gz QHPOYEZAMIMZFJ-YJNKXOJESA-N 2 1 252.402 2.113 20 0 CEADMP CCCO[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169141409 811409302 /nfs/dbraw/zinc/40/93/02/811409302.db2.gz QHPOYEZAMIMZFJ-YJNKXOJESA-N 2 1 252.402 2.113 20 0 CEADMP CCCO[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169141409 811409305 /nfs/dbraw/zinc/40/93/05/811409305.db2.gz QHPOYEZAMIMZFJ-YJNKXOJESA-N 2 1 252.402 2.113 20 0 CEADMP CCOC(=O)[C@H]1CCCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169152227 811415050 /nfs/dbraw/zinc/41/50/50/811415050.db2.gz BKSIVDZILKWHSX-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)[C@H]1CCCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169152227 811415056 /nfs/dbraw/zinc/41/50/56/811415056.db2.gz BKSIVDZILKWHSX-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)[C@H]1CCCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169152227 811415064 /nfs/dbraw/zinc/41/50/64/811415064.db2.gz BKSIVDZILKWHSX-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](Oc3ccncc3)C1)C2 ZINC001169155468 811417298 /nfs/dbraw/zinc/41/72/98/811417298.db2.gz PGRGYAHNKDLHOG-JYYAWHABSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H](Oc3ccncc3)C1)C2 ZINC001169155468 811417303 /nfs/dbraw/zinc/41/73/03/811417303.db2.gz PGRGYAHNKDLHOG-JYYAWHABSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H](Oc3ccncc3)C1)C2 ZINC001169155468 811417310 /nfs/dbraw/zinc/41/73/10/811417310.db2.gz PGRGYAHNKDLHOG-JYYAWHABSA-N 2 1 287.407 2.160 20 0 CEADMP Cc1cc(N(C)C)[nH+]cc1-n1ncc2c1cccc2C[NH3+] ZINC001169192327 811424751 /nfs/dbraw/zinc/42/47/51/811424751.db2.gz NUXSJKRHJCZOKP-UHFFFAOYSA-N 2 1 281.363 2.254 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C)CCOCC(C)C)CC1 ZINC001172463220 815447692 /nfs/dbraw/zinc/44/76/92/815447692.db2.gz LTTNVHOCFMIYSA-HNNXBMFYSA-N 2 1 286.460 2.138 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](CCO)c2ccc(F)cc2)CC1 ZINC001169224265 811437591 /nfs/dbraw/zinc/43/75/91/811437591.db2.gz HDBJYNBFCGXPLU-MRXNPFEDSA-N 2 1 280.387 2.323 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](CO)Cc2cccc(Cl)c2)CC1 ZINC001169230126 811444385 /nfs/dbraw/zinc/44/43/85/811444385.db2.gz SANUKGBWVKLVQP-INIZCTEOSA-N 2 1 296.842 2.317 20 0 CEADMP CCN1CCC([N@@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)CC1 ZINC001169246086 811459973 /nfs/dbraw/zinc/45/99/73/811459973.db2.gz OQIDPAIJXCBZAM-YPMHNXCESA-N 2 1 294.361 2.106 20 0 CEADMP CCN1CCC([N@H+]2CC[C@@H](C)[C@](O)(C(F)(F)F)C2)CC1 ZINC001169246086 811459977 /nfs/dbraw/zinc/45/99/77/811459977.db2.gz OQIDPAIJXCBZAM-YPMHNXCESA-N 2 1 294.361 2.106 20 0 CEADMP CCN1CCC([N@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC1 ZINC001169246084 811460905 /nfs/dbraw/zinc/46/09/05/811460905.db2.gz OOQDPBKDXIGZJT-CVEARBPZSA-N 2 1 299.418 2.138 20 0 CEADMP CC[NH+]1CCC([N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC1 ZINC001169246084 811460909 /nfs/dbraw/zinc/46/09/09/811460909.db2.gz OOQDPBKDXIGZJT-CVEARBPZSA-N 2 1 299.418 2.138 20 0 CEADMP CC[NH+]1CCC([N@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC1 ZINC001169246084 811460914 /nfs/dbraw/zinc/46/09/14/811460914.db2.gz OOQDPBKDXIGZJT-CVEARBPZSA-N 2 1 299.418 2.138 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001169486772 811549173 /nfs/dbraw/zinc/54/91/73/811549173.db2.gz LNFWXIFQHLDHGI-CQSZACIVSA-N 2 1 295.471 2.192 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001169486772 811549176 /nfs/dbraw/zinc/54/91/76/811549176.db2.gz LNFWXIFQHLDHGI-CQSZACIVSA-N 2 1 295.471 2.192 20 0 CEADMP Nc1cc(NCC[C@H]2CCC[NH2+]2)[nH+]c(C(F)(F)F)c1 ZINC001169558804 811566459 /nfs/dbraw/zinc/56/64/59/811566459.db2.gz UMJGPKYYMKMUEZ-SECBINFHSA-N 2 1 274.290 2.237 20 0 CEADMP [NH3+]C[C@]1([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CN2CCC1CC2 ZINC001172555269 815461288 /nfs/dbraw/zinc/46/12/88/815461288.db2.gz GXOZCULXFXNDLV-NEWSRXKRSA-N 2 1 299.462 2.335 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC001172591567 815465877 /nfs/dbraw/zinc/46/58/77/815465877.db2.gz KAEQLMLOIGEHHW-KFWWJZLASA-N 2 1 282.428 2.040 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@]2(C)CC[NH+](C(C)C)C2)C1 ZINC001046562369 811775223 /nfs/dbraw/zinc/77/52/23/811775223.db2.gz MWWLIHUKVIJMAW-DOTOQJQBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]2(C)CC[N@@H+](C(C)C)C2)C1 ZINC001046562369 811775226 /nfs/dbraw/zinc/77/52/26/811775226.db2.gz MWWLIHUKVIJMAW-DOTOQJQBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@]2(C)CC[N@H+](C(C)C)C2)C1 ZINC001046562369 811775231 /nfs/dbraw/zinc/77/52/31/811775231.db2.gz MWWLIHUKVIJMAW-DOTOQJQBSA-N 2 1 295.471 2.097 20 0 CEADMP CC1(C)CC(n2cc[nH+]c2CCC[NH3+])CC(C)(C)N1O ZINC001169987955 811844592 /nfs/dbraw/zinc/84/45/92/811844592.db2.gz HZBAXGVRYKSEBR-UHFFFAOYSA-N 2 1 280.416 2.358 20 0 CEADMP COc1ccoc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206028721 811898781 /nfs/dbraw/zinc/89/87/81/811898781.db2.gz YXTFFWNTOURFOF-NWDGAFQWSA-N 2 1 252.358 2.095 20 0 CEADMP C[Si](C)(C)c1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206174767 815492953 /nfs/dbraw/zinc/49/29/53/815492953.db2.gz PICAHISAAUSDRF-CVEARBPZSA-N 2 1 294.490 2.493 20 0 CEADMP C[Si](C)(C)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206174767 815492957 /nfs/dbraw/zinc/49/29/57/815492957.db2.gz PICAHISAAUSDRF-CVEARBPZSA-N 2 1 294.490 2.493 20 0 CEADMP C[Si](C)(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206174769 815493616 /nfs/dbraw/zinc/49/36/16/815493616.db2.gz PICAHISAAUSDRF-HZPDHXFCSA-N 2 1 294.490 2.493 20 0 CEADMP C[Si](C)(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206174769 815493620 /nfs/dbraw/zinc/49/36/20/815493620.db2.gz PICAHISAAUSDRF-HZPDHXFCSA-N 2 1 294.490 2.493 20 0 CEADMP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(F)cn1 ZINC001206036773 812157334 /nfs/dbraw/zinc/15/73/34/812157334.db2.gz PVQMJXLVMQMYDC-STQMWFEESA-N 2 1 295.402 2.426 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000399408429 812263169 /nfs/dbraw/zinc/26/31/69/812263169.db2.gz JLKSXURBSBHLGV-OPRDCNLKSA-N 2 1 251.201 2.382 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000399408429 812263174 /nfs/dbraw/zinc/26/31/74/812263174.db2.gz JLKSXURBSBHLGV-OPRDCNLKSA-N 2 1 251.201 2.382 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113536721 812270621 /nfs/dbraw/zinc/27/06/21/812270621.db2.gz ZYPHZOKHJWSDTH-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccc(F)cn1 ZINC001254501594 812416771 /nfs/dbraw/zinc/41/67/71/812416771.db2.gz VWULRJQKRXPYMU-DGCLKSJQSA-N 2 1 251.349 2.356 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(F)cn1 ZINC001254501594 812416776 /nfs/dbraw/zinc/41/67/76/812416776.db2.gz VWULRJQKRXPYMU-DGCLKSJQSA-N 2 1 251.349 2.356 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052820603 812464854 /nfs/dbraw/zinc/46/48/54/812464854.db2.gz QYSWGEMFXHTKMC-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)CC[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129421784 812493030 /nfs/dbraw/zinc/49/30/30/812493030.db2.gz CEFAELDEQZQGJS-HNNXBMFYSA-N 2 1 283.460 2.001 20 0 CEADMP CCC[NH+](CCC)CC[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170503783 812584596 /nfs/dbraw/zinc/58/45/96/812584596.db2.gz WKARWHSQGPCJLL-ZIAGYGMSSA-N 2 1 270.417 2.040 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(OC)cc1C ZINC001206182505 815541757 /nfs/dbraw/zinc/54/17/57/815541757.db2.gz ANTGQBWTPFNDHE-UONOGXRCSA-N 2 1 296.386 2.273 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(OC)cc1C ZINC001206182505 815541758 /nfs/dbraw/zinc/54/17/58/815541758.db2.gz ANTGQBWTPFNDHE-UONOGXRCSA-N 2 1 296.386 2.273 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)C1 ZINC001170536356 812635352 /nfs/dbraw/zinc/63/53/52/812635352.db2.gz CTSMKCZTJMYUHF-RBSFLKMASA-N 2 1 282.428 2.169 20 0 CEADMP CCCCCC[C@@H](CC)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001170579124 812707958 /nfs/dbraw/zinc/70/79/58/812707958.db2.gz PYTUTXZPPILARI-QWHCGFSZSA-N 2 1 258.406 2.073 20 0 CEADMP CCCC[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131821695 812732014 /nfs/dbraw/zinc/73/20/14/812732014.db2.gz CNRTVXZUAOSTSR-UHFFFAOYSA-N 2 1 283.460 2.147 20 0 CEADMP CC(C)[N@H+]1CCN(c2cc(N(C)C)cc[nH+]2)C[C@@H]1C ZINC001158494854 812753671 /nfs/dbraw/zinc/75/36/71/812753671.db2.gz RGJILGDDGTUBLX-ZDUSSCGKSA-N 2 1 262.401 2.067 20 0 CEADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277384 812818403 /nfs/dbraw/zinc/81/84/03/812818403.db2.gz GLXUXEQPSWYHRH-GDBMZVCRSA-N 2 1 297.487 2.343 20 0 CEADMP Cc1cc(F)cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206182684 815555671 /nfs/dbraw/zinc/55/56/71/815555671.db2.gz DACLAHBHVWSFFO-KGLIPLIRSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1cc(F)cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206182684 815555674 /nfs/dbraw/zinc/55/56/74/815555674.db2.gz DACLAHBHVWSFFO-KGLIPLIRSA-N 2 1 254.324 2.395 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001172948206 815558975 /nfs/dbraw/zinc/55/89/75/815558975.db2.gz BVWWOSJLFAGOBZ-HUUCEWRRSA-N 2 1 252.402 2.114 20 0 CEADMP COc1cccc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206187060 815567997 /nfs/dbraw/zinc/56/79/97/815567997.db2.gz SQGAEKSROWTQKL-UONOGXRCSA-N 2 1 266.360 2.265 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172957339 815564442 /nfs/dbraw/zinc/56/44/42/815564442.db2.gz HNTVAUXZOGCPII-OLZOCXBDSA-N 2 1 287.448 2.159 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](C(C)C)CC1 ZINC001052367885 812981993 /nfs/dbraw/zinc/98/19/93/812981993.db2.gz CTWUHZZKRLXBKQ-JKSUJKDBSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC001052367885 812982002 /nfs/dbraw/zinc/98/20/02/812982002.db2.gz CTWUHZZKRLXBKQ-JKSUJKDBSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](C(C)C)CC1 ZINC001052367885 812982008 /nfs/dbraw/zinc/98/20/08/812982008.db2.gz CTWUHZZKRLXBKQ-JKSUJKDBSA-N 2 1 295.471 2.238 20 0 CEADMP CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133121335 812996258 /nfs/dbraw/zinc/99/62/58/812996258.db2.gz GRZZTFIQYCKTID-LSDHHAIUSA-N 2 1 297.487 2.058 20 0 CEADMP CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133121334 812996643 /nfs/dbraw/zinc/99/66/43/812996643.db2.gz GRZZTFIQYCKTID-HUUCEWRRSA-N 2 1 297.487 2.058 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(C)C)C1 ZINC001133253269 813021141 /nfs/dbraw/zinc/02/11/41/813021141.db2.gz FBDNLBYFUIMRFL-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C(C)(C)C[NH3+])CN1C(=O)OC(C)(C)C ZINC001173054792 815572161 /nfs/dbraw/zinc/57/21/61/815572161.db2.gz OZRFUYVIDUJBCM-VXGBXAGGSA-N 2 1 285.432 2.101 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc[nH+]c(CO)c1 ZINC000382661905 813090680 /nfs/dbraw/zinc/09/06/80/813090680.db2.gz SVQURJHKZCRLQL-OAHLLOKOSA-N 2 1 297.402 2.285 20 0 CEADMP C[N@@H+](CCOCc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000384003721 813111692 /nfs/dbraw/zinc/11/16/92/813111692.db2.gz GWVMEKBROLDTIK-CVEARBPZSA-N 2 1 262.397 2.262 20 0 CEADMP CSCC1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000385612063 813140326 /nfs/dbraw/zinc/14/03/26/813140326.db2.gz CAZPCOYTUYFCQB-FJBKBRRZSA-N 2 1 298.496 2.361 20 0 CEADMP CSCC1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000385612063 813140328 /nfs/dbraw/zinc/14/03/28/813140328.db2.gz CAZPCOYTUYFCQB-FJBKBRRZSA-N 2 1 298.496 2.361 20 0 CEADMP CCC(CC)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000385981667 813149862 /nfs/dbraw/zinc/14/98/62/813149862.db2.gz RDRBCJPBJSMIIG-AGUYFDCRSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCCC2CCCC2)C1 ZINC001133845963 813165176 /nfs/dbraw/zinc/16/51/76/813165176.db2.gz QTXGCAQQKCVYKS-OAHLLOKOSA-N 2 1 295.471 2.004 20 0 CEADMP Cc1nc(C[NH2+]CC2=CC[N@H+](C)CC2)sc1C ZINC000392822636 813308663 /nfs/dbraw/zinc/30/86/63/813308663.db2.gz VQIUWSWFDGZFIB-UHFFFAOYSA-N 2 1 251.399 2.111 20 0 CEADMP Cc1nc(C[NH2+]CC2=CC[N@@H+](C)CC2)sc1C ZINC000392822636 813308667 /nfs/dbraw/zinc/30/86/67/813308667.db2.gz VQIUWSWFDGZFIB-UHFFFAOYSA-N 2 1 251.399 2.111 20 0 CEADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(C)C ZINC001135007008 813351899 /nfs/dbraw/zinc/35/18/99/813351899.db2.gz BQBVOPWDNPHSSM-ZIAGYGMSSA-N 2 1 294.443 2.111 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000394321947 813377084 /nfs/dbraw/zinc/37/70/84/813377084.db2.gz IYYIVXRKRVKSAN-FVAVCCDCSA-N 3 1 291.483 2.466 20 0 CEADMP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170833201 813486722 /nfs/dbraw/zinc/48/67/22/813486722.db2.gz GEGSWWVVAXJEIU-HNNXBMFYSA-N 2 1 252.402 2.114 20 0 CEADMP CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071953860 813518400 /nfs/dbraw/zinc/51/84/00/813518400.db2.gz GPKDXWQFDYQPRO-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC)C2)C1 ZINC001086783647 813528920 /nfs/dbraw/zinc/52/89/20/813528920.db2.gz JPDOLMRBHNUTQA-ARFHVFGLSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC1 ZINC001135995600 813582906 /nfs/dbraw/zinc/58/29/06/813582906.db2.gz IISNMVPSRLABSJ-HUUCEWRRSA-N 2 1 297.487 2.391 20 0 CEADMP [NH3+]CC1([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170913663 813635485 /nfs/dbraw/zinc/63/54/85/813635485.db2.gz HLWZZPLBECHCPJ-LLVKDONJSA-N 2 1 250.773 2.278 20 0 CEADMP CC[NH+](CC)C1CCC([NH2+][C@H]2CCCCNC2)CC1 ZINC001246090158 813679170 /nfs/dbraw/zinc/67/91/70/813679170.db2.gz JNVBFGHLMFKWJV-PCKAHOCUSA-N 2 1 267.461 2.371 20 0 CEADMP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001246203158 813728567 /nfs/dbraw/zinc/72/85/67/813728567.db2.gz QKZKMBAJKDRCLS-CRWXNKLISA-N 2 1 282.428 2.214 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CCC[C@H]1C[NH3+] ZINC001246565706 814057091 /nfs/dbraw/zinc/05/70/91/814057091.db2.gz ICAAJBYTGKLHPM-QKPAOTATSA-N 3 1 281.488 2.460 20 0 CEADMP COC1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246570804 814089151 /nfs/dbraw/zinc/08/91/51/814089151.db2.gz VZKZOYMEKGWWAW-DNDYEEKYSA-N 2 1 254.418 2.251 20 0 CEADMP COC1CCC([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001246577787 814129737 /nfs/dbraw/zinc/12/97/37/814129737.db2.gz POYATFDVRPGPJE-NRXISQOPSA-N 2 1 254.418 2.395 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246579205 814134821 /nfs/dbraw/zinc/13/48/21/814134821.db2.gz BTNYBJPUVOZEPW-KGLIPLIRSA-N 2 1 270.417 2.168 20 0 CEADMP CCOC1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246586704 814171195 /nfs/dbraw/zinc/17/11/95/814171195.db2.gz MZVCLVMAUCKAQR-NWINJMCUSA-N 2 1 258.381 2.095 20 0 CEADMP CCOC1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246586704 814171201 /nfs/dbraw/zinc/17/12/01/814171201.db2.gz MZVCLVMAUCKAQR-NWINJMCUSA-N 2 1 258.381 2.095 20 0 CEADMP CCc1nc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)cc(C)[nH+]1 ZINC001160743802 814216443 /nfs/dbraw/zinc/21/64/43/814216443.db2.gz NZJAGPUVCTUQQQ-UWVGGRQHSA-N 2 1 288.317 2.300 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246646967 814243847 /nfs/dbraw/zinc/24/38/47/814243847.db2.gz REEDGNNESUTXOE-BRWVUGGUSA-N 3 1 279.472 2.371 20 0 CEADMP CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330093 814380944 /nfs/dbraw/zinc/38/09/44/814380944.db2.gz BGQNIHILCYWWPW-BZUAXINKSA-N 2 1 297.487 2.057 20 0 CEADMP CC[C@H](C(=O)NC[C@@H]1C[N@H+](C(C)C)C[C@H]1C)[NH+](CC)CC ZINC001102358068 814382404 /nfs/dbraw/zinc/38/24/04/814382404.db2.gz VJOLOSCKHONCDW-BZUAXINKSA-N 2 1 297.487 2.199 20 0 CEADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102475651 814387855 /nfs/dbraw/zinc/38/78/55/814387855.db2.gz YGSWCSOWXNMPFC-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCCC2CCCC2)C1 ZINC001147884213 814509306 /nfs/dbraw/zinc/50/93/06/814509306.db2.gz BPJJHPGKEHICHU-INIZCTEOSA-N 2 1 295.471 2.004 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000693009609 814615549 /nfs/dbraw/zinc/61/55/49/814615549.db2.gz AWTQSYZHAIGERB-CQSZACIVSA-N 2 1 254.418 2.003 20 0 CEADMP C[C@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C[NH+]1CCCC1 ZINC000693735511 814628910 /nfs/dbraw/zinc/62/89/10/814628910.db2.gz PUZACUXEYRJAJE-LVQVYYBASA-N 3 1 279.472 2.085 20 0 CEADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)c(C)c1 ZINC001247510166 814683782 /nfs/dbraw/zinc/68/37/82/814683782.db2.gz YKGPNHYWLYHDGX-LBPRGKRZSA-N 2 1 260.341 2.092 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](O)[C@H](F)CC2)CC1 ZINC001173108313 815582339 /nfs/dbraw/zinc/58/23/39/815582339.db2.gz BGHSKAAOBWHPJF-QDIHITRGSA-N 2 1 286.435 2.434 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](F)[C@@H](O)C2)CC1 ZINC001173110465 815582689 /nfs/dbraw/zinc/58/26/89/815582689.db2.gz SSCQEXIQGYBAHB-WUCCLRPBSA-N 2 1 272.408 2.044 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](C)[C@@H]2CCOC2)CC1 ZINC001173114354 815584538 /nfs/dbraw/zinc/58/45/38/815584538.db2.gz HVIQUDCUQCNIMV-YMAMQOFZSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(CCC2)O1)C1CCC([NH3+])CC1 ZINC000712418282 814744708 /nfs/dbraw/zinc/74/47/08/814744708.db2.gz SEFHFNCHFUYNBM-JXQTWKCFSA-N 2 1 252.402 2.290 20 0 CEADMP CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730374 814751546 /nfs/dbraw/zinc/75/15/46/814751546.db2.gz HMCUXGAQVQUONQ-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713244500 814848003 /nfs/dbraw/zinc/84/80/03/814848003.db2.gz UNHMRQWDUDUHPQ-KFWWJZLASA-N 2 1 264.413 2.162 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713244500 814848008 /nfs/dbraw/zinc/84/80/08/814848008.db2.gz UNHMRQWDUDUHPQ-KFWWJZLASA-N 2 1 264.413 2.162 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2scnc2Cl)C1 ZINC000713483382 814858888 /nfs/dbraw/zinc/85/88/88/814858888.db2.gz CGXSJNUAOUEEQJ-SECBINFHSA-N 2 1 259.806 2.357 20 0 CEADMP [NH3+]C[C@@H]1COc2ccccc2N1c1cccn2c[nH+]cc12 ZINC001171397288 814871276 /nfs/dbraw/zinc/87/12/76/814871276.db2.gz OERZMOXLSYOKMM-GFCCVEGCSA-N 2 1 280.331 2.192 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)O1 ZINC000714382120 814899105 /nfs/dbraw/zinc/89/91/05/814899105.db2.gz ZWLBBBZOIGVRIP-MCIONIFRSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCc4ncsc4C3)C2)CC1 ZINC001173140137 815598411 /nfs/dbraw/zinc/59/84/11/815598411.db2.gz BZFOHBJDYOODMA-CYBMUJFWSA-N 2 1 291.464 2.418 20 0 CEADMP CCc1ccc(C[C@H](C)[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC001173240469 815649029 /nfs/dbraw/zinc/64/90/29/815649029.db2.gz BLAJLQPHAPCDFG-HNNXBMFYSA-N 2 1 290.451 2.226 20 0 CEADMP CC[N@H+]1CC[C@@H](N[C@@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001173349447 815685153 /nfs/dbraw/zinc/68/51/53/815685153.db2.gz GIQKSACJQVWDOY-SJORKVTESA-N 2 1 275.440 2.363 20 0 CEADMP CC[N@H+]1CC[C@@H](n2nc(-c3ccccc3)cc2C[NH3+])C1 ZINC001173351435 815686572 /nfs/dbraw/zinc/68/65/72/815686572.db2.gz BBNCYZAOHNHQJB-CQSZACIVSA-N 2 1 270.380 2.276 20 0 CEADMP CC[N@H+]1CC[C@H](n2cc(CC[NH3+])c3ccc(OC)cc32)C1 ZINC001173356209 815698125 /nfs/dbraw/zinc/69/81/25/815698125.db2.gz CVWGECBVXKRANG-AWEZNQCLSA-N 2 1 287.407 2.418 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001173361404 815700778 /nfs/dbraw/zinc/70/07/78/815700778.db2.gz CFBOZXANEBZRMT-WMZOPIPTSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001173361404 815700782 /nfs/dbraw/zinc/70/07/82/815700782.db2.gz CFBOZXANEBZRMT-WMZOPIPTSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001173361404 815700787 /nfs/dbraw/zinc/70/07/87/815700787.db2.gz CFBOZXANEBZRMT-WMZOPIPTSA-N 2 1 287.451 2.287 20 0 CEADMP CC[N@H+]1CC[C@H](N2C[C@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001173365420 815702718 /nfs/dbraw/zinc/70/27/18/815702718.db2.gz HRZALZGWPPDALN-CEXWTWQISA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001173365420 815702724 /nfs/dbraw/zinc/70/27/24/815702724.db2.gz HRZALZGWPPDALN-CEXWTWQISA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001173365420 815702729 /nfs/dbraw/zinc/70/27/29/815702729.db2.gz HRZALZGWPPDALN-CEXWTWQISA-N 2 1 299.462 2.287 20 0 CEADMP CC[N@H+]1CC[C@H](N(c2ccc(C)cn2)C2CC[NH2+]CC2)C1 ZINC001173374808 815708815 /nfs/dbraw/zinc/70/88/15/815708815.db2.gz OLRTUGQIJJCWQP-INIZCTEOSA-N 2 1 288.439 2.043 20 0 CEADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](C)C[C@@H](C)C[NH3+])CC2 ZINC001173606794 815760925 /nfs/dbraw/zinc/76/09/25/815760925.db2.gz RAKCONHXIFFGFM-REWIBIJMSA-N 2 1 282.428 2.025 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc4nccnc34)C2)C1 ZINC001138308105 815763953 /nfs/dbraw/zinc/76/39/53/815763953.db2.gz ZCUIJMDNFFAKFA-QGZVFWFLSA-N 2 1 282.391 2.157 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc4nccnc34)C2)C1 ZINC001138308105 815763956 /nfs/dbraw/zinc/76/39/56/815763956.db2.gz ZCUIJMDNFFAKFA-QGZVFWFLSA-N 2 1 282.391 2.157 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc4nccnc34)C2)C1 ZINC001138308105 815763959 /nfs/dbraw/zinc/76/39/59/815763959.db2.gz ZCUIJMDNFFAKFA-QGZVFWFLSA-N 2 1 282.391 2.157 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001173623297 815766400 /nfs/dbraw/zinc/76/64/00/815766400.db2.gz RHEWCFFNISBDSN-GVRJEKJASA-N 2 1 294.439 2.323 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2cncc(C3CC3)c2)CC[C@@H]1F ZINC001206210540 815779565 /nfs/dbraw/zinc/77/95/65/815779565.db2.gz KRBFBIZTFMLPCO-GJZGRUSLSA-N 2 1 263.360 2.220 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2cncc(C3CC3)c2)CC[C@@H]1F ZINC001206210540 815779569 /nfs/dbraw/zinc/77/95/69/815779569.db2.gz KRBFBIZTFMLPCO-GJZGRUSLSA-N 2 1 263.360 2.220 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001173665424 815782017 /nfs/dbraw/zinc/78/20/17/815782017.db2.gz SZMPCTKRUAPMAA-GDBMZVCRSA-N 2 1 294.439 2.278 20 0 CEADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ncccc2O)CC1 ZINC001138394725 815787849 /nfs/dbraw/zinc/78/78/49/815787849.db2.gz MDCRGHNZIIFQOK-UHFFFAOYSA-N 2 1 277.412 2.339 20 0 CEADMP O[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@@H]1F ZINC001139356475 816011285 /nfs/dbraw/zinc/01/12/85/816011285.db2.gz MLJYMRZFBKDFJF-HOTGVXAUSA-N 2 1 289.354 2.167 20 0 CEADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175262604 816164892 /nfs/dbraw/zinc/16/48/92/816164892.db2.gz IHGUUAYJLAEZRL-LSDHHAIUSA-N 2 1 283.460 2.001 20 0 CEADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)[C@@H]1CCOC1 ZINC001140027818 816171156 /nfs/dbraw/zinc/17/11/56/816171156.db2.gz BWYKAWSCEJPXHB-OAHLLOKOSA-N 2 1 271.364 2.401 20 0 CEADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)[C@@H]1CCOC1 ZINC001140027818 816171158 /nfs/dbraw/zinc/17/11/58/816171158.db2.gz BWYKAWSCEJPXHB-OAHLLOKOSA-N 2 1 271.364 2.401 20 0 CEADMP CC(C)(O)[C@@H]1CCC[N@H+]1Cc1c[nH]c2ccncc12 ZINC001140804985 816363217 /nfs/dbraw/zinc/36/32/17/816363217.db2.gz MWVUKRXZAULSJW-AWEZNQCLSA-N 2 1 259.353 2.298 20 0 CEADMP CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cnc2cc[nH]cc1-2 ZINC001140804985 816363223 /nfs/dbraw/zinc/36/32/23/816363223.db2.gz MWVUKRXZAULSJW-AWEZNQCLSA-N 2 1 259.353 2.298 20 0 CEADMP C[NH+](C)[C@H]1CCCN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802790 816363605 /nfs/dbraw/zinc/36/36/05/816363605.db2.gz DOEOLDVWLDLZKB-ZDUSSCGKSA-N 2 1 258.369 2.089 20 0 CEADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc3n[nH]cc3c2)C1 ZINC001206622564 816372888 /nfs/dbraw/zinc/37/28/88/816372888.db2.gz FUHFGKJZMNMECN-CYBMUJFWSA-N 2 1 258.369 2.124 20 0 CEADMP Cn1cc[nH+]c1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001176378215 816405920 /nfs/dbraw/zinc/40/59/20/816405920.db2.gz HRIDOZPIEPWYKU-UHFFFAOYSA-N 2 1 286.379 2.038 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]2CC1 ZINC001276404010 816429677 /nfs/dbraw/zinc/42/96/77/816429677.db2.gz MPILNCKNIFSLSP-OKILXGFUSA-N 3 1 284.407 2.337 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]2CC1 ZINC001276404010 816429680 /nfs/dbraw/zinc/42/96/80/816429680.db2.gz MPILNCKNIFSLSP-OKILXGFUSA-N 3 1 284.407 2.337 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]2CC1 ZINC001276404010 816429686 /nfs/dbraw/zinc/42/96/86/816429686.db2.gz MPILNCKNIFSLSP-OKILXGFUSA-N 3 1 284.407 2.337 20 0 CEADMP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563589 816441739 /nfs/dbraw/zinc/44/17/39/816441739.db2.gz FZSDRFSWHQDOEX-GOEBONIOSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccn2ccnc2c1 ZINC001141044259 816456974 /nfs/dbraw/zinc/45/69/74/816456974.db2.gz CYEOWMDZSFYRCH-UHFFFAOYSA-N 2 1 272.396 2.252 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccn2ccnc2c1 ZINC001141044259 816456980 /nfs/dbraw/zinc/45/69/80/816456980.db2.gz CYEOWMDZSFYRCH-UHFFFAOYSA-N 2 1 272.396 2.252 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(O)(C(C)C)CC1 ZINC001176921301 816493612 /nfs/dbraw/zinc/49/36/12/816493612.db2.gz LFZDPUJHWRVIRM-UHFFFAOYSA-N 2 1 279.428 2.455 20 0 CEADMP C[NH+](C)CCO[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001206288218 816502508 /nfs/dbraw/zinc/50/25/08/816502508.db2.gz WXZULAPLPZHMMB-AWEZNQCLSA-N 2 1 282.815 2.493 20 0 CEADMP Cc1csc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001206304746 816568373 /nfs/dbraw/zinc/56/83/73/816568373.db2.gz OWPXLCMRCMYAGP-ZDUSSCGKSA-N 2 1 253.415 2.402 20 0 CEADMP C[N@H+](Cc1[nH]cnc1C(C)(C)C)CC1CC[NH+](C)CC1 ZINC001142226940 816643293 /nfs/dbraw/zinc/64/32/93/816643293.db2.gz VHTQCMDEEHMEMI-UHFFFAOYSA-N 2 1 278.444 2.481 20 0 CEADMP CC[N@@H+]1C[C@H]2CN(Cc3[nH]cnc3C(C)(C)C)C[C@H]2C1 ZINC001142237996 816644615 /nfs/dbraw/zinc/64/46/15/816644615.db2.gz GLGXPYCKANSVKM-BETUJISGSA-N 2 1 276.428 2.091 20 0 CEADMP Cn1cc2c(cccc2C[N@@H+](C)CCC[NH+]2CCCC2)n1 ZINC001142460696 816670926 /nfs/dbraw/zinc/67/09/26/816670926.db2.gz SWTXMLSSTNTDTB-UHFFFAOYSA-N 2 1 286.423 2.491 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001206337138 816773549 /nfs/dbraw/zinc/77/35/49/816773549.db2.gz QNVOAXMHBJQANC-GOSISDBHSA-N 3 1 287.451 2.283 20 0 CEADMP CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001179590979 816880573 /nfs/dbraw/zinc/88/05/73/816880573.db2.gz NHHIVJUKYOTEHB-HZPDHXFCSA-N 2 1 297.487 2.250 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+][C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000601281267 346812243 /nfs/dbraw/zinc/81/22/43/346812243.db2.gz VQACMVDBSNBFSQ-OPFPJEHXSA-N 2 1 270.417 2.037 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000601281267 346812246 /nfs/dbraw/zinc/81/22/46/346812246.db2.gz VQACMVDBSNBFSQ-OPFPJEHXSA-N 2 1 270.417 2.037 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)Cc2ccoc2)CC1 ZINC000449076848 282090994 /nfs/dbraw/zinc/09/09/94/282090994.db2.gz ILNKONQWXZMSOU-MRXNPFEDSA-N 2 1 293.455 2.218 20 0 CEADMP CSCC[C@@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000567624438 299068418 /nfs/dbraw/zinc/06/84/18/299068418.db2.gz PBAYAJOBJREQRT-GFCCVEGCSA-N 2 1 255.431 2.426 20 0 CEADMP CSCC[C@@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000567624438 299068422 /nfs/dbraw/zinc/06/84/22/299068422.db2.gz PBAYAJOBJREQRT-GFCCVEGCSA-N 2 1 255.431 2.426 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cnn(C)c1 ZINC000121419591 365565675 /nfs/dbraw/zinc/56/56/75/365565675.db2.gz RPVOOYUNYDXRSA-SWLSCSKDSA-N 2 1 275.400 2.302 20 0 CEADMP C[C@H]1C[N@H+](C2CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000336390344 365567493 /nfs/dbraw/zinc/56/74/93/365567493.db2.gz CFVBJTXJFLJZJT-AWEZNQCLSA-N 2 1 265.445 2.029 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000337523791 214138546 /nfs/dbraw/zinc/13/85/46/214138546.db2.gz QRKRJLCWAOSZCM-ULQDDVLXSA-N 2 1 298.471 2.018 20 0 CEADMP CCCc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)s1 ZINC000621343024 349569296 /nfs/dbraw/zinc/56/92/96/349569296.db2.gz RVKDGPXZSWHSRL-CQSZACIVSA-N 2 1 270.442 2.103 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000337748252 214245662 /nfs/dbraw/zinc/24/56/62/214245662.db2.gz HMOPRAYZGAUULB-KRWDZBQOSA-N 2 1 276.424 2.307 20 0 CEADMP C[N@@H+](CCC[NH2+]C1CCOCC1)Cc1ccccc1 ZINC000036303947 361840065 /nfs/dbraw/zinc/84/00/65/361840065.db2.gz UWQRGKZSHNVRLN-UHFFFAOYSA-N 2 1 262.397 2.277 20 0 CEADMP CC(C)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000036908388 361870165 /nfs/dbraw/zinc/87/01/65/361870165.db2.gz BTUQBVPILYDVHT-VQHPVUNQSA-N 2 1 281.488 2.425 20 0 CEADMP Cc1ccc(OCCC[N@@H+]2CCC[NH2+]CC2)cc1C ZINC000036946300 361873652 /nfs/dbraw/zinc/87/36/52/361873652.db2.gz SRKYNTGQXONNOJ-UHFFFAOYSA-N 2 1 262.397 2.368 20 0 CEADMP Cc1ccc(OCCC[N@H+]2CCC[NH2+]CC2)cc1C ZINC000036946300 361873657 /nfs/dbraw/zinc/87/36/57/361873657.db2.gz SRKYNTGQXONNOJ-UHFFFAOYSA-N 2 1 262.397 2.368 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000567692926 299077416 /nfs/dbraw/zinc/07/74/16/299077416.db2.gz GSYVKNCCLQAWMR-OAHLLOKOSA-N 2 1 289.423 2.337 20 0 CEADMP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000037981980 361970961 /nfs/dbraw/zinc/97/09/61/361970961.db2.gz VHPAUFUWHDZRIR-PBHICJAKSA-N 2 1 276.424 2.356 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337985623 214344075 /nfs/dbraw/zinc/34/40/75/214344075.db2.gz ALEPQMBVSTUTFS-JKSUJKDBSA-N 2 1 266.429 2.002 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337985617 214344528 /nfs/dbraw/zinc/34/45/28/214344528.db2.gz ALEPQMBVSTUTFS-HOTGVXAUSA-N 2 1 266.429 2.002 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H](C)c1ccco1)N1CC[NH+](C)CC1 ZINC000040770126 361995975 /nfs/dbraw/zinc/99/59/75/361995975.db2.gz YSRSFVVMPFKRIR-CABCVRRESA-N 2 1 279.428 2.202 20 0 CEADMP OC[C@H](CC1CCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000338020740 214364325 /nfs/dbraw/zinc/36/43/25/214364325.db2.gz NTDIMFGAFLTCHD-JYJNAYRXSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621642563 349649907 /nfs/dbraw/zinc/64/99/07/349649907.db2.gz QIRVWJXGKJPCBY-OWCLPIDISA-N 2 1 295.471 2.003 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621660081 349654238 /nfs/dbraw/zinc/65/42/38/349654238.db2.gz ZKVLLQXFSJUPDW-LSDHHAIUSA-N 2 1 283.460 2.003 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000621703672 349669170 /nfs/dbraw/zinc/66/91/70/349669170.db2.gz HZGSQZZJKXAMGB-ZDUSSCGKSA-N 2 1 294.443 2.314 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000621782085 349701318 /nfs/dbraw/zinc/70/13/18/349701318.db2.gz MGKTYQJNQOVFSL-NVXWUHKLSA-N 2 1 282.391 2.186 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000621782085 349701321 /nfs/dbraw/zinc/70/13/21/349701321.db2.gz MGKTYQJNQOVFSL-NVXWUHKLSA-N 2 1 282.391 2.186 20 0 CEADMP COc1ccccc1CCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784420 349702231 /nfs/dbraw/zinc/70/22/31/349702231.db2.gz OORFNQKTJPOHLM-WBVHZDCISA-N 2 1 274.408 2.441 20 0 CEADMP COc1ccccc1CCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784420 349702234 /nfs/dbraw/zinc/70/22/34/349702234.db2.gz OORFNQKTJPOHLM-WBVHZDCISA-N 2 1 274.408 2.441 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000091917287 539229088 /nfs/dbraw/zinc/22/90/88/539229088.db2.gz AFPGZCOJZOCDGV-UHFFFAOYSA-N 2 1 292.423 2.238 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCOC(C)(C)C2)cc1 ZINC000091917287 539229089 /nfs/dbraw/zinc/22/90/89/539229089.db2.gz AFPGZCOJZOCDGV-UHFFFAOYSA-N 2 1 292.423 2.238 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH2+]C[C@H]3C)c2C1 ZINC000449340361 282193358 /nfs/dbraw/zinc/19/33/58/282193358.db2.gz OCTGHUFDVYSSEO-TZMCWYRMSA-N 2 1 287.407 2.206 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH2+]C[C@H]3C)c2C1 ZINC000449340361 282193360 /nfs/dbraw/zinc/19/33/60/282193360.db2.gz OCTGHUFDVYSSEO-TZMCWYRMSA-N 2 1 287.407 2.206 20 0 CEADMP Cc1ncc(C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)n1C ZINC000668690583 539238347 /nfs/dbraw/zinc/23/83/47/539238347.db2.gz WUTDPGKIVPMIDC-INIZCTEOSA-N 2 1 284.407 2.439 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]CC1=CCCOC1 ZINC000449383208 282208253 /nfs/dbraw/zinc/20/82/53/282208253.db2.gz FQVPYYHPSSVHHU-INIZCTEOSA-N 2 1 266.429 2.433 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC000300145898 539268630 /nfs/dbraw/zinc/26/86/30/539268630.db2.gz WGASANSUOXVPJN-ZIAGYGMSSA-N 2 1 260.381 2.269 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CC=CCC2)CCO1 ZINC000668785369 539272148 /nfs/dbraw/zinc/27/21/48/539272148.db2.gz PCEJVEPQASBZDB-HZPDHXFCSA-N 2 1 266.429 2.385 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000041665371 362046449 /nfs/dbraw/zinc/04/64/49/362046449.db2.gz ZXODRZFILQTVPI-DZGCQCFKSA-N 2 1 262.397 2.469 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000312064237 539287131 /nfs/dbraw/zinc/28/71/31/539287131.db2.gz JYGMHHONWOFROK-JKSUJKDBSA-N 2 1 268.445 2.390 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CCCCC1 ZINC000312064237 539287133 /nfs/dbraw/zinc/28/71/33/539287133.db2.gz JYGMHHONWOFROK-JKSUJKDBSA-N 2 1 268.445 2.390 20 0 CEADMP CC1(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CCC1 ZINC000434757316 539299122 /nfs/dbraw/zinc/29/91/22/539299122.db2.gz PJPXCBYFOXBMQG-AWEZNQCLSA-N 2 1 254.418 2.003 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000126681382 187255320 /nfs/dbraw/zinc/25/53/20/187255320.db2.gz GUICNEJKZHNGTA-HIFRSBDPSA-N 2 1 274.408 2.397 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@H]3CCOC3)C1)CCCC2 ZINC000336629110 365741114 /nfs/dbraw/zinc/74/11/14/365741114.db2.gz XGLHYDJXLWXOQB-KBPBESRZSA-N 2 1 275.396 2.106 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@H]3CCOC3)C1)CCCC2 ZINC000336629110 365741120 /nfs/dbraw/zinc/74/11/20/365741120.db2.gz XGLHYDJXLWXOQB-KBPBESRZSA-N 2 1 275.396 2.106 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044530142 343474046 /nfs/dbraw/zinc/47/40/46/343474046.db2.gz CCLWMUURKHMAOY-HNNXBMFYSA-N 2 1 283.460 2.086 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044530142 343474049 /nfs/dbraw/zinc/47/40/49/343474049.db2.gz CCLWMUURKHMAOY-HNNXBMFYSA-N 2 1 283.460 2.086 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000246493116 539322581 /nfs/dbraw/zinc/32/25/81/539322581.db2.gz RYSUUXIKDRXIMF-ORIJERBGSA-N 2 1 266.429 2.406 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000601969947 346946065 /nfs/dbraw/zinc/94/60/65/346946065.db2.gz HKMGLFPBDFOXRG-GFCCVEGCSA-N 2 1 294.395 2.324 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCCO2)C1 ZINC000336713071 365776537 /nfs/dbraw/zinc/77/65/37/365776537.db2.gz OVIANKHOZDWJPR-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000336713071 365776540 /nfs/dbraw/zinc/77/65/40/365776540.db2.gz OVIANKHOZDWJPR-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000336713071 365776542 /nfs/dbraw/zinc/77/65/42/365776542.db2.gz OVIANKHOZDWJPR-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000127995253 365771065 /nfs/dbraw/zinc/77/10/65/365771065.db2.gz OCYAPWHDWOBFOY-BRWVUGGUSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000127995253 365771071 /nfs/dbraw/zinc/77/10/71/365771071.db2.gz OCYAPWHDWOBFOY-BRWVUGGUSA-N 3 1 279.472 2.325 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000127995253 365771077 /nfs/dbraw/zinc/77/10/77/365771077.db2.gz OCYAPWHDWOBFOY-BRWVUGGUSA-N 3 1 279.472 2.325 20 0 CEADMP CSC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000336707297 365771643 /nfs/dbraw/zinc/77/16/43/365771643.db2.gz NHJDGVWKAIYOQM-UHFFFAOYSA-N 2 1 254.443 2.489 20 0 CEADMP CCOCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000336728697 365788506 /nfs/dbraw/zinc/78/85/06/365788506.db2.gz NLGHCHLIEBQNRD-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP COC(=O)c1coc([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000602022007 346962484 /nfs/dbraw/zinc/96/24/84/346962484.db2.gz QXNOHAIUBZTJFQ-YPMHNXCESA-N 2 1 294.395 2.495 20 0 CEADMP Cc1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)oc1C ZINC000069173117 343782108 /nfs/dbraw/zinc/78/21/08/343782108.db2.gz SGGHPATUIDUMJB-UHFFFAOYSA-N 2 1 265.401 2.455 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1CC[NH+](C)CC1 ZINC000081257283 344043810 /nfs/dbraw/zinc/04/38/10/344043810.db2.gz UQZXFPWQQFFOIZ-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CN(C)c1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000092043427 344175899 /nfs/dbraw/zinc/17/58/99/344175899.db2.gz LKVBUDSFMULJQJ-OCCSQVGLSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000092043427 344175901 /nfs/dbraw/zinc/17/59/01/344175901.db2.gz LKVBUDSFMULJQJ-OCCSQVGLSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000092043427 344175904 /nfs/dbraw/zinc/17/59/04/344175904.db2.gz LKVBUDSFMULJQJ-OCCSQVGLSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000092043427 344175907 /nfs/dbraw/zinc/17/59/07/344175907.db2.gz LKVBUDSFMULJQJ-OCCSQVGLSA-N 2 1 294.468 2.125 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(F)c(F)c1 ZINC000089552176 344124722 /nfs/dbraw/zinc/12/47/22/344124722.db2.gz DSVYCGLQBJPLRT-ABAIWWIYSA-N 2 1 284.350 2.273 20 0 CEADMP COc1cccc(COCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000090806519 344143507 /nfs/dbraw/zinc/14/35/07/344143507.db2.gz OENNCIUZKSKZRV-YOEHRIQHSA-N 2 1 292.423 2.142 20 0 CEADMP CCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093214288 344216468 /nfs/dbraw/zinc/21/64/68/344216468.db2.gz QSKHTILTDHYTGV-DZGCQCFKSA-N 3 1 253.434 2.110 20 0 CEADMP Cc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1C ZINC000105477081 344256860 /nfs/dbraw/zinc/25/68/60/344256860.db2.gz DYIOOFIRPKIPAQ-UHFFFAOYSA-N 2 1 289.467 2.421 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000049553356 362371832 /nfs/dbraw/zinc/37/18/32/362371832.db2.gz USEVTPLHGOVKBQ-CHWSQXEVSA-N 2 1 298.452 2.081 20 0 CEADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000111824810 344271943 /nfs/dbraw/zinc/27/19/43/344271943.db2.gz FHVYDMFVNDMGJC-INIZCTEOSA-N 2 1 287.451 2.192 20 0 CEADMP CCOC(=O)C(C)(C)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000128502055 344337214 /nfs/dbraw/zinc/33/72/14/344337214.db2.gz GAPKQXUAKBHSMB-UHFFFAOYSA-N 2 1 281.400 2.245 20 0 CEADMP CCOC(=O)C(C)(C)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000128502055 344337217 /nfs/dbraw/zinc/33/72/17/344337217.db2.gz GAPKQXUAKBHSMB-UHFFFAOYSA-N 2 1 281.400 2.245 20 0 CEADMP Cc1cccc(C)c1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351591971 219137995 /nfs/dbraw/zinc/13/79/95/219137995.db2.gz IFXMQNPJNSINSI-GDBMZVCRSA-N 2 1 276.424 2.409 20 0 CEADMP Cc1cccc(C)c1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351591971 219137997 /nfs/dbraw/zinc/13/79/97/219137997.db2.gz IFXMQNPJNSINSI-GDBMZVCRSA-N 2 1 276.424 2.409 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000154705510 344435186 /nfs/dbraw/zinc/43/51/86/344435186.db2.gz SCFHIYRCFHDFAW-UHFFFAOYSA-N 2 1 289.423 2.419 20 0 CEADMP CO[C@H]1CC[N@H+](CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000336784524 365801317 /nfs/dbraw/zinc/80/13/17/365801317.db2.gz QXECREKNTRFGPZ-JSGCOSHPSA-N 2 1 251.374 2.081 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000336784524 365801324 /nfs/dbraw/zinc/80/13/24/365801324.db2.gz QXECREKNTRFGPZ-JSGCOSHPSA-N 2 1 251.374 2.081 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000236711515 344597357 /nfs/dbraw/zinc/59/73/57/344597357.db2.gz MDFBNXLTURCYCA-MRXNPFEDSA-N 2 1 291.439 2.315 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000262625393 344655038 /nfs/dbraw/zinc/65/50/38/344655038.db2.gz BMWDWLIHGCBBEY-HRCADAONSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)CC[C@H]1[NH3+] ZINC000251618030 344636934 /nfs/dbraw/zinc/63/69/34/344636934.db2.gz DTZXIAHBYIMBRK-IUODEOHRSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1nccs1 ZINC000314743848 344746578 /nfs/dbraw/zinc/74/65/78/344746578.db2.gz QDKAFUCVKCRZPT-JTQLQIEISA-N 2 1 250.371 2.160 20 0 CEADMP C[C@H](O)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000305876993 344711188 /nfs/dbraw/zinc/71/11/88/344711188.db2.gz RTMKDOKDMLPUFN-DZOHQFGASA-N 2 1 288.435 2.258 20 0 CEADMP CO[C@H]1CC[N@H+](CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000336784525 365802093 /nfs/dbraw/zinc/80/20/93/365802093.db2.gz QXECREKNTRFGPZ-OCCSQVGLSA-N 2 1 251.374 2.081 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000336784525 365802097 /nfs/dbraw/zinc/80/20/97/365802097.db2.gz QXECREKNTRFGPZ-OCCSQVGLSA-N 2 1 251.374 2.081 20 0 CEADMP C[C@@]1(O)CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668092497 539412188 /nfs/dbraw/zinc/41/21/88/539412188.db2.gz JCPWLNNEPNHRPN-MRXNPFEDSA-N 2 1 286.379 2.004 20 0 CEADMP C[C@@]1(O)CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668092497 539412193 /nfs/dbraw/zinc/41/21/93/539412193.db2.gz JCPWLNNEPNHRPN-MRXNPFEDSA-N 2 1 286.379 2.004 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000397391757 344851152 /nfs/dbraw/zinc/85/11/52/344851152.db2.gz NXAZEUSNDQQBRK-XJKCOSOUSA-N 2 1 257.381 2.363 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000397391757 344851154 /nfs/dbraw/zinc/85/11/54/344851154.db2.gz NXAZEUSNDQQBRK-XJKCOSOUSA-N 2 1 257.381 2.363 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000404379867 344880385 /nfs/dbraw/zinc/88/03/85/344880385.db2.gz LVTXUFGTOCOQIN-CJNGLKHVSA-N 2 1 290.407 2.423 20 0 CEADMP C[N@H+]1CCC[C@H](CNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000054243199 362520241 /nfs/dbraw/zinc/52/02/41/362520241.db2.gz OKSBXXGMHARHHW-CQSZACIVSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000054243199 362520244 /nfs/dbraw/zinc/52/02/44/362520244.db2.gz OKSBXXGMHARHHW-CQSZACIVSA-N 3 1 267.461 2.181 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000054243199 362520248 /nfs/dbraw/zinc/52/02/48/362520248.db2.gz OKSBXXGMHARHHW-CQSZACIVSA-N 3 1 267.461 2.181 20 0 CEADMP COC[C@]1(C)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668203478 539441720 /nfs/dbraw/zinc/44/17/20/539441720.db2.gz JVCNJENJWGNYDP-MRXNPFEDSA-N 2 1 286.379 2.126 20 0 CEADMP COC[C@]1(C)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668203478 539441722 /nfs/dbraw/zinc/44/17/22/539441722.db2.gz JVCNJENJWGNYDP-MRXNPFEDSA-N 2 1 286.379 2.126 20 0 CEADMP c1nc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2[nH]1 ZINC000589641452 345090494 /nfs/dbraw/zinc/09/04/94/345090494.db2.gz JENPYSCKKHHGTC-ZIAGYGMSSA-N 2 1 270.380 2.279 20 0 CEADMP c1nc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2[nH]1 ZINC000589641452 345090498 /nfs/dbraw/zinc/09/04/98/345090498.db2.gz JENPYSCKKHHGTC-ZIAGYGMSSA-N 2 1 270.380 2.279 20 0 CEADMP c1nc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2[nH]1 ZINC000589641452 345090501 /nfs/dbraw/zinc/09/05/01/345090501.db2.gz JENPYSCKKHHGTC-ZIAGYGMSSA-N 2 1 270.380 2.279 20 0 CEADMP C[C@@H](C[NH2+]Cc1[nH]nc2ccccc21)C[NH+]1CCCC1 ZINC000589641683 345091832 /nfs/dbraw/zinc/09/18/32/345091832.db2.gz YDVYCQSCKAZQKD-ZDUSSCGKSA-N 2 1 272.396 2.384 20 0 CEADMP Cc1noc([C@@H](C)N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000590786311 345181222 /nfs/dbraw/zinc/18/12/22/345181222.db2.gz PMCLHODJIQRXSD-GFCCVEGCSA-N 2 1 280.416 2.491 20 0 CEADMP Cc1noc([C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000590786311 345181224 /nfs/dbraw/zinc/18/12/24/345181224.db2.gz PMCLHODJIQRXSD-GFCCVEGCSA-N 2 1 280.416 2.491 20 0 CEADMP Cc1noc([C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000590786311 345181227 /nfs/dbraw/zinc/18/12/27/345181227.db2.gz PMCLHODJIQRXSD-GFCCVEGCSA-N 2 1 280.416 2.491 20 0 CEADMP C[N@@H+](CC1CCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372366456 282392187 /nfs/dbraw/zinc/39/21/87/282392187.db2.gz BCNXLNCQFIBVQG-QGZVFWFLSA-N 2 1 279.472 2.277 20 0 CEADMP CCCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591866828 345289980 /nfs/dbraw/zinc/28/99/80/345289980.db2.gz GYBYZWODPRCUQX-CABCVRRESA-N 2 1 292.427 2.215 20 0 CEADMP CCCCCNC(=O)[C@@H](C)N1CCC[C@H](n2ccnc2)C1 ZINC000591866828 345289982 /nfs/dbraw/zinc/28/99/82/345289982.db2.gz GYBYZWODPRCUQX-CABCVRRESA-N 2 1 292.427 2.215 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)[C@@H]1SC ZINC000592395123 345349288 /nfs/dbraw/zinc/34/92/88/345349288.db2.gz PEMQOPZVFNKCKT-KHMAMNHCSA-N 2 1 286.485 2.215 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492198 345360351 /nfs/dbraw/zinc/36/03/51/345360351.db2.gz VRRWAXXWBBQJDH-GJZGRUSLSA-N 2 1 282.428 2.040 20 0 CEADMP C[C@H]1C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1C ZINC000125871129 232209043 /nfs/dbraw/zinc/20/90/43/232209043.db2.gz JVFLAKDWQCFOHH-KKUMJFAQSA-N 2 1 269.477 2.425 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+]CCc1c[nH+]cn1C ZINC000623085897 349933524 /nfs/dbraw/zinc/93/35/24/349933524.db2.gz MDNLBACKGABNCL-UHFFFAOYSA-N 2 1 295.390 2.247 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CCc2c[nH+]cn2C)c1 ZINC000623086369 349933645 /nfs/dbraw/zinc/93/36/45/349933645.db2.gz MLAFLDATDZPGPJ-UHFFFAOYSA-N 2 1 295.390 2.451 20 0 CEADMP CC(C)OC(=O)C[C@H]([NH2+]CC[NH2+]C(C)(C)C)C(C)C ZINC000594583478 345651377 /nfs/dbraw/zinc/65/13/77/345651377.db2.gz ODKMQJKOCJBVIZ-ZDUSSCGKSA-N 2 1 272.433 2.330 20 0 CEADMP CCOc1ccc(C[NH2+]CCc2c[nH+]cn2C)c(C)c1 ZINC000623085858 349933761 /nfs/dbraw/zinc/93/37/61/349933761.db2.gz JKRNRSCCNFWXCW-UHFFFAOYSA-N 2 1 273.380 2.460 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000623086406 349933868 /nfs/dbraw/zinc/93/38/68/349933868.db2.gz OTIUPTUDTLGTFH-UHFFFAOYSA-N 2 1 276.409 2.476 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000594921692 345702580 /nfs/dbraw/zinc/70/25/80/345702580.db2.gz RAOFBMXAGXYEJR-WCVJEAGWSA-N 2 1 296.455 2.428 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000594921692 345702582 /nfs/dbraw/zinc/70/25/82/345702582.db2.gz RAOFBMXAGXYEJR-WCVJEAGWSA-N 2 1 296.455 2.428 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)CC1 ZINC000595062699 345737162 /nfs/dbraw/zinc/73/71/62/345737162.db2.gz OGBNHGNJYOHIGX-VCBZYWHSSA-N 2 1 286.485 2.139 20 0 CEADMP CCS[C@H]1CCCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000595884898 345906325 /nfs/dbraw/zinc/90/63/25/345906325.db2.gz IWFIHCKKPJUWFN-KBPBESRZSA-N 2 1 284.469 2.115 20 0 CEADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000062010722 362702179 /nfs/dbraw/zinc/70/21/79/362702179.db2.gz OQKFUSQZDBQTNW-ZDUSSCGKSA-N 2 1 281.831 2.238 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(CC(=O)OC)CC2)C1 ZINC000599026344 346448283 /nfs/dbraw/zinc/44/82/83/346448283.db2.gz VDNKXXKBCGKUSR-SLTAFYQDSA-N 2 1 282.428 2.040 20 0 CEADMP CCCCN1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000336789971 365810571 /nfs/dbraw/zinc/81/05/71/365810571.db2.gz KJXOJSSNECUTST-AWEZNQCLSA-N 2 1 255.450 2.358 20 0 CEADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCOC1 ZINC000336791358 365813551 /nfs/dbraw/zinc/81/35/51/365813551.db2.gz NFDVLZXIGPEQIR-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCOC1 ZINC000336791358 365813558 /nfs/dbraw/zinc/81/35/58/365813558.db2.gz NFDVLZXIGPEQIR-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP COC(=O)CCCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000599300820 346494246 /nfs/dbraw/zinc/49/42/46/346494246.db2.gz XDTMFWKBJBSMSQ-CQSZACIVSA-N 2 1 270.417 2.136 20 0 CEADMP COC(=O)CCCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000599300820 346494249 /nfs/dbraw/zinc/49/42/49/346494249.db2.gz XDTMFWKBJBSMSQ-CQSZACIVSA-N 2 1 270.417 2.136 20 0 CEADMP COC(=O)CCCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000599300820 346494252 /nfs/dbraw/zinc/49/42/52/346494252.db2.gz XDTMFWKBJBSMSQ-CQSZACIVSA-N 2 1 270.417 2.136 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCCC[C@@H]2[C@@H](C)[NH3+])c1C ZINC000063196026 362758829 /nfs/dbraw/zinc/75/88/29/362758829.db2.gz SPLJELOLEOIDES-UKRRQHHQSA-N 2 1 277.412 2.409 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000063466621 362766925 /nfs/dbraw/zinc/76/69/25/362766925.db2.gz ZHANDKOJIXTFHI-UHFFFAOYSA-N 2 1 263.385 2.027 20 0 CEADMP CCCC[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128422532 187369742 /nfs/dbraw/zinc/36/97/42/187369742.db2.gz IMSKOYQDLDGGNJ-HNNXBMFYSA-N 2 1 255.450 2.182 20 0 CEADMP COC(=O)CCCCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600161361 346610005 /nfs/dbraw/zinc/61/00/05/346610005.db2.gz LPHOMDFMVYCILF-CYBMUJFWSA-N 2 1 270.417 2.182 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000568277090 299133768 /nfs/dbraw/zinc/13/37/68/299133768.db2.gz SUXRXFHMOXIPLJ-BYCMXARLSA-N 2 1 278.371 2.059 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000568277090 299133769 /nfs/dbraw/zinc/13/37/69/299133769.db2.gz SUXRXFHMOXIPLJ-BYCMXARLSA-N 2 1 278.371 2.059 20 0 CEADMP CCc1nc(NCC[NH+](C(C)C)C(C)C)cc(C)[nH+]1 ZINC000336808246 365843576 /nfs/dbraw/zinc/84/35/76/365843576.db2.gz PBZUJMAYZYIXIV-UHFFFAOYSA-N 2 1 264.417 2.300 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000236912006 370651647 /nfs/dbraw/zinc/65/16/47/370651647.db2.gz YZMKXFLCEWXOEH-MRXNPFEDSA-N 2 1 289.423 2.140 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000601264784 346805276 /nfs/dbraw/zinc/80/52/76/346805276.db2.gz HIQMIQYFGHDVBP-HLIUYOAVSA-N 2 1 282.428 2.040 20 0 CEADMP COC(=O)c1csc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000602675212 347136754 /nfs/dbraw/zinc/13/67/54/347136754.db2.gz ZFSZGJSURMZXNH-HNNXBMFYSA-N 2 1 294.420 2.062 20 0 CEADMP CCOC(=O)C(CC)(CC)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602732808 347177182 /nfs/dbraw/zinc/17/71/82/347177182.db2.gz KYATYMIIKXUVKP-KBPBESRZSA-N 2 1 284.444 2.428 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2O)C[C@H]1c1ccccc1 ZINC000453418364 539562428 /nfs/dbraw/zinc/56/24/28/539562428.db2.gz WKCTXXXLNLZSBU-WCXIOVBPSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2O)C[C@H]1c1ccccc1 ZINC000453418364 539562431 /nfs/dbraw/zinc/56/24/31/539562431.db2.gz WKCTXXXLNLZSBU-WCXIOVBPSA-N 2 1 274.408 2.325 20 0 CEADMP COc1ccnc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000129834867 365898102 /nfs/dbraw/zinc/89/81/02/365898102.db2.gz ZHILOQYCLFWPAT-BBRMVZONSA-N 2 1 286.379 2.370 20 0 CEADMP COc1ccnc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000129834867 365898104 /nfs/dbraw/zinc/89/81/04/365898104.db2.gz ZHILOQYCLFWPAT-BBRMVZONSA-N 2 1 286.379 2.370 20 0 CEADMP Cn1ccnc1C[C@@H](NCc1cn[nH]c1)c1ccccc1 ZINC000608072890 347561012 /nfs/dbraw/zinc/56/10/12/347561012.db2.gz MIIUHNGMNWZYHL-OAHLLOKOSA-N 2 1 281.363 2.217 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334213095 539587354 /nfs/dbraw/zinc/58/73/54/539587354.db2.gz DTNGMIIQZRGUIO-QGZVFWFLSA-N 2 1 273.424 2.328 20 0 CEADMP c1nc(-c2ccccc2)sc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613994728 348131462 /nfs/dbraw/zinc/13/14/62/348131462.db2.gz AVUWBTVXFSORBU-KBPBESRZSA-N 2 1 285.416 2.461 20 0 CEADMP c1nc2ccccn2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000614329351 348180072 /nfs/dbraw/zinc/18/00/72/348180072.db2.gz GASLAXVGKVGHFV-ZIAGYGMSSA-N 2 1 270.380 2.051 20 0 CEADMP c1nc2ccccn2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000614329351 348180075 /nfs/dbraw/zinc/18/00/75/348180075.db2.gz GASLAXVGKVGHFV-ZIAGYGMSSA-N 2 1 270.380 2.051 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCc3ccncc3)C2)C1 ZINC000339429733 215160478 /nfs/dbraw/zinc/16/04/78/215160478.db2.gz ZKPVRYCJZVPALW-KRWDZBQOSA-N 2 1 273.424 2.432 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCc3ccncc3)C2)C1 ZINC000339429733 215160483 /nfs/dbraw/zinc/16/04/83/215160483.db2.gz ZKPVRYCJZVPALW-KRWDZBQOSA-N 2 1 273.424 2.432 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCc3ccncc3)C2)C1 ZINC000339429733 215160484 /nfs/dbraw/zinc/16/04/84/215160484.db2.gz ZKPVRYCJZVPALW-KRWDZBQOSA-N 2 1 273.424 2.432 20 0 CEADMP CCCNC(=O)C1([NH2+]CCn2cc[nH+]c2C)CCCCC1 ZINC000270912261 190866268 /nfs/dbraw/zinc/86/62/68/190866268.db2.gz TTZUSZQZSGFLJV-UHFFFAOYSA-N 2 1 292.427 2.010 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)c(F)cc2F)C1 ZINC000334847930 539610765 /nfs/dbraw/zinc/61/07/65/539610765.db2.gz YGQUNRGYKOUJMV-NXEZZACHSA-N 2 1 258.287 2.463 20 0 CEADMP CCc1noc([C@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000357094731 233005789 /nfs/dbraw/zinc/00/57/89/233005789.db2.gz ZZVCNKRPOFILTD-WCQYABFASA-N 2 1 278.400 2.015 20 0 CEADMP CC(C)COCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000232685837 539632793 /nfs/dbraw/zinc/63/27/93/539632793.db2.gz NIHHQLBIMBYRHK-CABCVRRESA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000616993655 348601222 /nfs/dbraw/zinc/60/12/22/348601222.db2.gz KXZDHRWNAFMMDH-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616993655 348601228 /nfs/dbraw/zinc/60/12/28/348601228.db2.gz KXZDHRWNAFMMDH-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616993655 348601232 /nfs/dbraw/zinc/60/12/32/348601232.db2.gz KXZDHRWNAFMMDH-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](C(C)(C)C)C2)CC[NH2+]1 ZINC000414769459 297252777 /nfs/dbraw/zinc/25/27/77/297252777.db2.gz WOTCAUYKLZCTNT-RDBSUJKOSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1nccn1CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339071064 539659214 /nfs/dbraw/zinc/65/92/14/539659214.db2.gz QBFMHAORFBDTTO-CVEARBPZSA-N 2 1 276.428 2.188 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339071064 539659218 /nfs/dbraw/zinc/65/92/18/539659218.db2.gz QBFMHAORFBDTTO-CVEARBPZSA-N 3 1 276.428 2.188 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339071064 539659223 /nfs/dbraw/zinc/65/92/23/539659223.db2.gz QBFMHAORFBDTTO-CVEARBPZSA-N 3 1 276.428 2.188 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000617506154 348718181 /nfs/dbraw/zinc/71/81/81/348718181.db2.gz CBBOGAXZBIMDHF-OWCLPIDISA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000617506154 348718182 /nfs/dbraw/zinc/71/81/82/348718182.db2.gz CBBOGAXZBIMDHF-OWCLPIDISA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000617505474 348718971 /nfs/dbraw/zinc/71/89/71/348718971.db2.gz DNVOICBDBRLYSA-OWCLPIDISA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000617505474 348718972 /nfs/dbraw/zinc/71/89/72/348718972.db2.gz DNVOICBDBRLYSA-OWCLPIDISA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCCCC[NH+](C)C1CC1 ZINC000457167443 539661352 /nfs/dbraw/zinc/66/13/52/539661352.db2.gz MBCGSMRIDKCOPY-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCC(=O)NCCCC[N@H+](C)C1CC1 ZINC000457167443 539661356 /nfs/dbraw/zinc/66/13/56/539661356.db2.gz MBCGSMRIDKCOPY-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457167443 539661360 /nfs/dbraw/zinc/66/13/60/539661360.db2.gz MBCGSMRIDKCOPY-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H](CCNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000617756238 348781686 /nfs/dbraw/zinc/78/16/86/348781686.db2.gz CJHUBRBFXHBZNV-CQSZACIVSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCC[NH+](C)C1CCCC1 ZINC000339272947 539684608 /nfs/dbraw/zinc/68/46/08/539684608.db2.gz VTAILRSGUYNXHJ-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1CCCC[NH+]1CCC(=O)NCC[N@H+](C)C1CCCC1 ZINC000339272947 539684611 /nfs/dbraw/zinc/68/46/11/539684611.db2.gz VTAILRSGUYNXHJ-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1CCCC[NH+]1CCC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000339272947 539684613 /nfs/dbraw/zinc/68/46/13/539684613.db2.gz VTAILRSGUYNXHJ-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)CC[N@H+]1C ZINC000357881788 233163137 /nfs/dbraw/zinc/16/31/37/233163137.db2.gz RZGIDCQBCCGVQX-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400414929 233178604 /nfs/dbraw/zinc/17/86/04/233178604.db2.gz UVRVAOXPGKRSAK-SWLSCSKDSA-N 2 1 250.361 2.407 20 0 CEADMP C[C@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400459822 233179927 /nfs/dbraw/zinc/17/99/27/233179927.db2.gz RGRZVNXDCZSHFR-SZMVWBNQSA-N 2 1 287.451 2.381 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000068525205 362942874 /nfs/dbraw/zinc/94/28/74/362942874.db2.gz XXQRDLJSQMDVQQ-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000620620652 349405628 /nfs/dbraw/zinc/40/56/28/349405628.db2.gz AAPRATFSIZKIAB-UHFFFAOYSA-N 2 1 297.487 2.343 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000250476906 539743406 /nfs/dbraw/zinc/74/34/06/539743406.db2.gz UBYXITKADORWKI-XGUBFFRZSA-N 2 1 252.402 2.160 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000250476906 539743408 /nfs/dbraw/zinc/74/34/08/539743408.db2.gz UBYXITKADORWKI-XGUBFFRZSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](CO)Cc2ccccc2)CC1(C)C ZINC000623373980 350003300 /nfs/dbraw/zinc/00/33/00/350003300.db2.gz SHPRXSPLWJMNDZ-IAGOWNOFSA-N 2 1 290.451 2.300 20 0 CEADMP COc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)ccc1O ZINC000623420013 350015585 /nfs/dbraw/zinc/01/55/85/350015585.db2.gz JGJXRICWZROYRH-CQSZACIVSA-N 2 1 292.423 2.406 20 0 CEADMP CCCCOCCOCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623436545 350020120 /nfs/dbraw/zinc/02/01/20/350020120.db2.gz WPBHMURYIXKQDA-HNNXBMFYSA-N 2 1 286.460 2.282 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)CC1(C)C ZINC000623454572 350024496 /nfs/dbraw/zinc/02/44/96/350024496.db2.gz KTBLXLRTDDKRRJ-GJZGRUSLSA-N 2 1 296.455 2.177 20 0 CEADMP C[N@H+]1CC[C@@H](N[C@@H](CO)c2ccsc2)CC1(C)C ZINC000623494994 350034000 /nfs/dbraw/zinc/03/40/00/350034000.db2.gz MFGVFWBAAMUEIG-OLZOCXBDSA-N 2 1 268.426 2.244 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cnn3ccccc23)CC1(C)C ZINC000623521752 350039758 /nfs/dbraw/zinc/03/97/58/350039758.db2.gz FXWSOEBEIPRXSL-CQSZACIVSA-N 2 1 272.396 2.297 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cnn3ccccc23)CC1(C)C ZINC000623521752 350039761 /nfs/dbraw/zinc/03/97/61/350039761.db2.gz FXWSOEBEIPRXSL-CQSZACIVSA-N 2 1 272.396 2.297 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623553088 350049105 /nfs/dbraw/zinc/04/91/05/350049105.db2.gz DJIFUUOTLOAYGE-SHARSMKWSA-N 3 1 267.461 2.322 20 0 CEADMP CN1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CC1(C)C ZINC000623553088 350049107 /nfs/dbraw/zinc/04/91/07/350049107.db2.gz DJIFUUOTLOAYGE-SHARSMKWSA-N 2 1 267.461 2.322 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC1(C)C ZINC000623561224 350051534 /nfs/dbraw/zinc/05/15/34/350051534.db2.gz GBXMSMFYAIDHPM-JYJNAYRXSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1(C)C ZINC000623561224 350051538 /nfs/dbraw/zinc/05/15/38/350051538.db2.gz GBXMSMFYAIDHPM-JYJNAYRXSA-N 3 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1(C)C ZINC000623561224 350051542 /nfs/dbraw/zinc/05/15/42/350051542.db2.gz GBXMSMFYAIDHPM-JYJNAYRXSA-N 3 1 279.472 2.466 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1(C)C ZINC000623561224 350051545 /nfs/dbraw/zinc/05/15/45/350051545.db2.gz GBXMSMFYAIDHPM-JYJNAYRXSA-N 3 1 279.472 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1(C)C ZINC000623561224 350051549 /nfs/dbraw/zinc/05/15/49/350051549.db2.gz GBXMSMFYAIDHPM-JYJNAYRXSA-N 3 1 279.472 2.466 20 0 CEADMP C[N@H+]1CC[C@@H](NC[C@H]2CC[NH+]2C2CCCC2)CC1(C)C ZINC000623729285 350095270 /nfs/dbraw/zinc/09/52/70/350095270.db2.gz XGFAJYNYMFHSGQ-GDBMZVCRSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@H]2CC[N@@H+]2C2CCCC2)CC1(C)C ZINC000623729285 350095274 /nfs/dbraw/zinc/09/52/74/350095274.db2.gz XGFAJYNYMFHSGQ-GDBMZVCRSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@H]2CC[N@H+]2C2CCCC2)CC1(C)C ZINC000623729285 350095277 /nfs/dbraw/zinc/09/52/77/350095277.db2.gz XGFAJYNYMFHSGQ-GDBMZVCRSA-N 2 1 279.472 2.466 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000090845949 180044819 /nfs/dbraw/zinc/04/48/19/180044819.db2.gz BKHWJXXYFLDFKN-XJKSGUPXSA-N 2 1 292.471 2.365 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000090845949 180044821 /nfs/dbraw/zinc/04/48/21/180044821.db2.gz BKHWJXXYFLDFKN-XJKSGUPXSA-N 2 1 292.471 2.365 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000090720390 180030902 /nfs/dbraw/zinc/03/09/02/180030902.db2.gz LQGKSJNJFJMWND-JSGCOSHPSA-N 2 1 278.396 2.276 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000090720390 180030903 /nfs/dbraw/zinc/03/09/03/180030903.db2.gz LQGKSJNJFJMWND-JSGCOSHPSA-N 2 1 278.396 2.276 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000090962463 180076742 /nfs/dbraw/zinc/07/67/42/180076742.db2.gz HVBMBZLQASPKCC-AWEZNQCLSA-N 2 1 275.396 2.076 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000090962463 180076744 /nfs/dbraw/zinc/07/67/44/180076744.db2.gz HVBMBZLQASPKCC-AWEZNQCLSA-N 2 1 275.396 2.076 20 0 CEADMP C[C@H](CC1CCC1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000669618833 539755639 /nfs/dbraw/zinc/75/56/39/539755639.db2.gz LYWQZLYZQJLOIL-CQSZACIVSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411921296 233300499 /nfs/dbraw/zinc/30/04/99/233300499.db2.gz DJFXVJOWPSJSNQ-SJORKVTESA-N 2 1 285.391 2.390 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411921296 233300502 /nfs/dbraw/zinc/30/05/02/233300502.db2.gz DJFXVJOWPSJSNQ-SJORKVTESA-N 2 1 285.391 2.390 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CCCCO1 ZINC000623998615 350166456 /nfs/dbraw/zinc/16/64/56/350166456.db2.gz XQCVUALPRQOMMU-ZFWWWQNUSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)OCC ZINC000624051024 350179404 /nfs/dbraw/zinc/17/94/04/350179404.db2.gz PQAZXHRJTWOBLU-CVEARBPZSA-N 2 1 284.444 2.035 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000624123250 350201864 /nfs/dbraw/zinc/20/18/64/350201864.db2.gz ISMPALLRIYVOMG-GDBMZVCRSA-N 2 1 291.439 2.343 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000352090481 219315874 /nfs/dbraw/zinc/31/58/74/219315874.db2.gz ATAZVJQZTGHHSB-NSHDSACASA-N 2 1 297.353 2.079 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412097164 233339977 /nfs/dbraw/zinc/33/99/77/233339977.db2.gz UWSPARUXYSSFSA-ZFWWWQNUSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412097164 233339979 /nfs/dbraw/zinc/33/99/79/233339979.db2.gz UWSPARUXYSSFSA-ZFWWWQNUSA-N 2 1 265.401 2.065 20 0 CEADMP CCn1nc(C)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1C ZINC000105442859 186056635 /nfs/dbraw/zinc/05/66/35/186056635.db2.gz SHWZHBVQHIPCHJ-GFCCVEGCSA-N 2 1 289.427 2.451 20 0 CEADMP CC[C@H]1C[N@@H+](CCOc2ccccc2OC)CC[C@@H]1[NH3+] ZINC000147459202 539796077 /nfs/dbraw/zinc/79/60/77/539796077.db2.gz PCYAWGMLUGLNDD-KBPBESRZSA-N 2 1 278.396 2.133 20 0 CEADMP CCO[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C1CC1 ZINC000625448615 350501960 /nfs/dbraw/zinc/50/19/60/350501960.db2.gz PAEBXLOHTABHNK-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CCO[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)C1CC1 ZINC000625448615 350501963 /nfs/dbraw/zinc/50/19/63/350501963.db2.gz PAEBXLOHTABHNK-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CCO[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)C1CC1 ZINC000625448615 350501966 /nfs/dbraw/zinc/50/19/66/350501966.db2.gz PAEBXLOHTABHNK-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000130624159 365975210 /nfs/dbraw/zinc/97/52/10/365975210.db2.gz ZZPLRNWQXYDBGV-VNQPRFMTSA-N 2 1 262.397 2.101 20 0 CEADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCCOC3)CC2)cc1 ZINC000109545839 186261917 /nfs/dbraw/zinc/26/19/17/186261917.db2.gz SSUXTEWYUXDRJP-GOSISDBHSA-N 2 1 288.435 2.462 20 0 CEADMP C/C=C/C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000626164020 350675113 /nfs/dbraw/zinc/67/51/13/350675113.db2.gz VEQKWEOLMJFBKP-WVSRPDOZSA-N 2 1 266.429 2.120 20 0 CEADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000626164020 350675118 /nfs/dbraw/zinc/67/51/18/350675118.db2.gz VEQKWEOLMJFBKP-WVSRPDOZSA-N 2 1 266.429 2.120 20 0 CEADMP C/C=C/C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000626164020 350675123 /nfs/dbraw/zinc/67/51/23/350675123.db2.gz VEQKWEOLMJFBKP-WVSRPDOZSA-N 2 1 266.429 2.120 20 0 CEADMP C/C=C/C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000626164020 350675124 /nfs/dbraw/zinc/67/51/24/350675124.db2.gz VEQKWEOLMJFBKP-WVSRPDOZSA-N 2 1 266.429 2.120 20 0 CEADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1csc2ccccc12 ZINC000111234599 186373973 /nfs/dbraw/zinc/37/39/73/186373973.db2.gz XGXOTKUFNLJJDG-UHFFFAOYSA-N 2 1 289.448 2.238 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2cncn2C)C[C@H]1C ZINC000568996304 299173973 /nfs/dbraw/zinc/17/39/73/299173973.db2.gz DMWRWYUEWNPSJH-HUUCEWRRSA-N 3 1 278.444 2.157 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2cncn2C)C[C@H]1C ZINC000568996304 299173976 /nfs/dbraw/zinc/17/39/76/299173976.db2.gz DMWRWYUEWNPSJH-HUUCEWRRSA-N 3 1 278.444 2.157 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2cncn2C)C[C@H]1C ZINC000568996304 299173979 /nfs/dbraw/zinc/17/39/79/299173979.db2.gz DMWRWYUEWNPSJH-HUUCEWRRSA-N 3 1 278.444 2.157 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(CC)CC ZINC000629543916 351404923 /nfs/dbraw/zinc/40/49/23/351404923.db2.gz FRAWRAUZTKHKMB-CRWXNKLISA-N 2 1 254.418 2.310 20 0 CEADMP CCC[N@@H+](C[C@@H](OCC)C1CC1)C1CC[NH2+]CC1 ZINC000629517744 351385482 /nfs/dbraw/zinc/38/54/82/351385482.db2.gz YDVNBYXMPPZJJN-OAHLLOKOSA-N 2 1 254.418 2.266 20 0 CEADMP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629544979 351405932 /nfs/dbraw/zinc/40/59/32/351405932.db2.gz ORFDKTVHOWXVEI-REWJHTLYSA-N 2 1 254.418 2.310 20 0 CEADMP CCOc1ccccc1[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521643 351387899 /nfs/dbraw/zinc/38/78/99/351387899.db2.gz PTRGMZNKVDMXFN-CYBMUJFWSA-N 2 1 278.396 2.244 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1CC1 ZINC000629533261 351396004 /nfs/dbraw/zinc/39/60/04/351396004.db2.gz QGIZDIYHQAWIKJ-ARFHVFGLSA-N 2 1 266.429 2.123 20 0 CEADMP Cc1cncc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000629534410 351397056 /nfs/dbraw/zinc/39/70/56/351397056.db2.gz YKKRHRZZZFYCRT-JKSUJKDBSA-N 2 1 259.397 2.354 20 0 CEADMP CCO[C@@H](C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C1CC1 ZINC000629534797 351398149 /nfs/dbraw/zinc/39/81/49/351398149.db2.gz AWSZBPMCTGUMQT-ZFWWWQNUSA-N 2 1 266.429 2.266 20 0 CEADMP CCO[C@H](C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)C1CC1 ZINC000629542065 351403820 /nfs/dbraw/zinc/40/38/20/351403820.db2.gz XTVQFKYNEAQKEO-NZBPQXDJSA-N 2 1 254.418 2.107 20 0 CEADMP COC1(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CCCC1 ZINC000629650712 351448571 /nfs/dbraw/zinc/44/85/71/351448571.db2.gz ZZAURAOTWPANCO-JYJNAYRXSA-N 2 1 296.455 2.164 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000629653619 351450425 /nfs/dbraw/zinc/45/04/25/351450425.db2.gz KQWXVEPTFUQOFM-UHFFFAOYSA-N 2 1 296.358 2.435 20 0 CEADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1F ZINC000629672434 351460485 /nfs/dbraw/zinc/46/04/85/351460485.db2.gz SBNDKQQWJRWCKL-SLEUVZQESA-N 2 1 280.387 2.353 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCOc3cc(F)ccc3C2)CC[NH2+]1 ZINC000629673832 351461111 /nfs/dbraw/zinc/46/11/11/351461111.db2.gz JPMZKCCDVBXXLL-OLZOCXBDSA-N 2 1 278.371 2.408 20 0 CEADMP CCO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C1CC1 ZINC000629550657 351409581 /nfs/dbraw/zinc/40/95/81/351409581.db2.gz ZUNKPQALWMRRGY-YLFCFFPRSA-N 2 1 296.455 2.162 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)c2ccccc21 ZINC000629550375 351409732 /nfs/dbraw/zinc/40/97/32/351409732.db2.gz XZNMSMKSQVJVGT-FWYOQMDTSA-N 2 1 258.365 2.288 20 0 CEADMP Cc1[nH+]ccn1CCCN1CCCc2cccc(C[NH3+])c21 ZINC000629561457 351414827 /nfs/dbraw/zinc/41/48/27/351414827.db2.gz WOJHCEKNAPZJPH-UHFFFAOYSA-N 2 1 284.407 2.493 20 0 CEADMP CC[C@H](C)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564256 351415382 /nfs/dbraw/zinc/41/53/82/351415382.db2.gz SERRKSRCMRCZHG-DCAQKATOSA-N 2 1 252.324 2.492 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)CCCc1ccc(Cl)cc1 ZINC000629571106 351419614 /nfs/dbraw/zinc/41/96/14/351419614.db2.gz ITQJFMAFUJYHPV-UHFFFAOYSA-N 2 1 284.831 2.440 20 0 CEADMP O[C@@H](C[NH2+]Cc1ccc2sccc2c1)C[NH+]1CCCC1 ZINC000629580036 351421028 /nfs/dbraw/zinc/42/10/28/351421028.db2.gz LGQCCEZJBYVPCP-HNNXBMFYSA-N 2 1 290.432 2.448 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000629584988 351424052 /nfs/dbraw/zinc/42/40/52/351424052.db2.gz IRPNYLDTHMJLEQ-HDICACEKSA-N 2 1 296.418 2.304 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000070170889 363043807 /nfs/dbraw/zinc/04/38/07/363043807.db2.gz PYNAOOPJTZZIMI-LBPRGKRZSA-N 2 1 295.814 2.339 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000070170889 363043813 /nfs/dbraw/zinc/04/38/13/363043813.db2.gz PYNAOOPJTZZIMI-LBPRGKRZSA-N 2 1 295.814 2.339 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000070173956 363047569 /nfs/dbraw/zinc/04/75/69/363047569.db2.gz LDYLTZBNVXENQG-OLZOCXBDSA-N 2 1 293.386 2.214 20 0 CEADMP FC(F)(F)CO[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000569104370 299179627 /nfs/dbraw/zinc/17/96/27/299179627.db2.gz IDMQZESHJMUUAX-CYBMUJFWSA-N 2 1 294.361 2.419 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCCC[C@H]2C)CC[N@H+]1C ZINC000630537642 351776832 /nfs/dbraw/zinc/77/68/32/351776832.db2.gz QGDRVLNURZZTPJ-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000630537642 351776835 /nfs/dbraw/zinc/77/68/35/351776835.db2.gz QGDRVLNURZZTPJ-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000630537642 351776838 /nfs/dbraw/zinc/77/68/38/351776838.db2.gz QGDRVLNURZZTPJ-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP COc1cccc2c(N3C[C@H]([NH3+])C[C@@H]3C)cc(C)[nH+]c12 ZINC000630559681 351786316 /nfs/dbraw/zinc/78/63/16/351786316.db2.gz XZRNHYHFOPWFCV-NWDGAFQWSA-N 2 1 271.364 2.478 20 0 CEADMP FC(F)(F)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000360973870 303113596 /nfs/dbraw/zinc/11/35/96/303113596.db2.gz WCQPHUITXNLZDB-GRYCIOLGSA-N 2 1 262.319 2.355 20 0 CEADMP FC(F)(F)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000360973870 303113599 /nfs/dbraw/zinc/11/35/99/303113599.db2.gz WCQPHUITXNLZDB-GRYCIOLGSA-N 2 1 262.319 2.355 20 0 CEADMP FC(F)(F)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360973870 303113600 /nfs/dbraw/zinc/11/36/00/303113600.db2.gz WCQPHUITXNLZDB-GRYCIOLGSA-N 2 1 262.319 2.355 20 0 CEADMP FC(F)(F)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360973870 303113603 /nfs/dbraw/zinc/11/36/03/303113603.db2.gz WCQPHUITXNLZDB-GRYCIOLGSA-N 2 1 262.319 2.355 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631042385 351935133 /nfs/dbraw/zinc/93/51/33/351935133.db2.gz JIDOFOGUYHLFTO-OKILXGFUSA-N 2 1 277.412 2.245 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(NC(C)=O)c2)C1 ZINC000631044048 351935995 /nfs/dbraw/zinc/93/59/95/351935995.db2.gz DCIRWWOXIMSMTI-HNNXBMFYSA-N 2 1 275.396 2.076 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cncc(OC)c2C)C1 ZINC000631049602 351937242 /nfs/dbraw/zinc/93/72/42/351937242.db2.gz LPVMGOMCTIZZCV-CQSZACIVSA-N 2 1 277.412 2.220 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cncc(OC)c2C)C1 ZINC000631049602 351937244 /nfs/dbraw/zinc/93/72/44/351937244.db2.gz LPVMGOMCTIZZCV-CQSZACIVSA-N 2 1 277.412 2.220 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C2([NH3+])CCCC2)C1 ZINC000237713860 539864683 /nfs/dbraw/zinc/86/46/83/539864683.db2.gz MOYAIYZKZHZWOY-OKILXGFUSA-N 2 1 295.471 2.131 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccccc3)C2)C1 ZINC000292204995 198201840 /nfs/dbraw/zinc/20/18/40/198201840.db2.gz SRABMWJCLLQXKD-KRWDZBQOSA-N 2 1 287.407 2.043 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3ccccc3)C2)C1 ZINC000292204995 198201842 /nfs/dbraw/zinc/20/18/42/198201842.db2.gz SRABMWJCLLQXKD-KRWDZBQOSA-N 2 1 287.407 2.043 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3ccccc3)C2)C1 ZINC000292204995 198201844 /nfs/dbraw/zinc/20/18/44/198201844.db2.gz SRABMWJCLLQXKD-KRWDZBQOSA-N 2 1 287.407 2.043 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250951743 539970570 /nfs/dbraw/zinc/97/05/70/539970570.db2.gz GTYPPPXUGNCNTL-CHWSQXEVSA-N 2 1 265.426 2.416 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250951743 539970574 /nfs/dbraw/zinc/97/05/74/539970574.db2.gz GTYPPPXUGNCNTL-CHWSQXEVSA-N 2 1 265.426 2.416 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)CCO1 ZINC000251651857 539983684 /nfs/dbraw/zinc/98/36/84/539983684.db2.gz SVIKJPHPSFBDAH-RCBQFDQVSA-N 2 1 260.381 2.112 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)CCO1 ZINC000251651857 539983687 /nfs/dbraw/zinc/98/36/87/539983687.db2.gz SVIKJPHPSFBDAH-RCBQFDQVSA-N 2 1 260.381 2.112 20 0 CEADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000155662376 188219885 /nfs/dbraw/zinc/21/98/85/188219885.db2.gz YBTXUPBTLLMVRT-BBRMVZONSA-N 2 1 291.439 2.128 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccnn3-c3ccccc3)C2)C1 ZINC000292728430 198391162 /nfs/dbraw/zinc/39/11/62/198391162.db2.gz GBPXLWXVOWMVAW-GOSISDBHSA-N 2 1 296.418 2.400 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000292727103 198391433 /nfs/dbraw/zinc/39/14/33/198391433.db2.gz GGAWKPFMOFFFQN-KBRIMQKVSA-N 2 1 294.414 2.144 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000292727103 198391435 /nfs/dbraw/zinc/39/14/35/198391435.db2.gz GGAWKPFMOFFFQN-KBRIMQKVSA-N 2 1 294.414 2.144 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)Cc2ccc(F)cc2)CC[NH+]1C ZINC000292727103 198391437 /nfs/dbraw/zinc/39/14/37/198391437.db2.gz GGAWKPFMOFFFQN-KBRIMQKVSA-N 2 1 294.414 2.144 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)Cc2ccc(F)cc2)CC[NH+]1C ZINC000292727103 198391439 /nfs/dbraw/zinc/39/14/39/198391439.db2.gz GGAWKPFMOFFFQN-KBRIMQKVSA-N 2 1 294.414 2.144 20 0 CEADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC1CC1 ZINC000337241178 366099720 /nfs/dbraw/zinc/09/97/20/366099720.db2.gz FPTPSRLZWKQSIH-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CCC(C)(C)O1 ZINC000337282613 366123582 /nfs/dbraw/zinc/12/35/82/366123582.db2.gz XMHHYJJADIILIZ-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCC(C)(C)O1 ZINC000337282613 366123586 /nfs/dbraw/zinc/12/35/86/366123586.db2.gz XMHHYJJADIILIZ-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000132363981 366138944 /nfs/dbraw/zinc/13/89/44/366138944.db2.gz IUOPRKICFVYIPZ-CHWSQXEVSA-N 2 1 278.396 2.181 20 0 CEADMP C[C@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000132636422 366159929 /nfs/dbraw/zinc/15/99/29/366159929.db2.gz RHGJAKPKSRKPDD-DZGCQCFKSA-N 2 1 279.472 2.464 20 0 CEADMP CC[NH+](CC)C[C@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000132986440 366185776 /nfs/dbraw/zinc/18/57/76/366185776.db2.gz MALUGCLSVAINDZ-CQSZACIVSA-N 2 1 262.401 2.262 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000451555968 283033755 /nfs/dbraw/zinc/03/37/55/283033755.db2.gz KLUMQGHLEMEPLG-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP CO[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1C ZINC000451579389 283040198 /nfs/dbraw/zinc/04/01/98/283040198.db2.gz YOTGDWIJXMUVPF-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)C(C)(C)C)C1 ZINC000336790468 283062816 /nfs/dbraw/zinc/06/28/16/283062816.db2.gz XDFKXWFKXDVBBH-KBPBESRZSA-N 2 1 256.434 2.057 20 0 CEADMP CO[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000669927836 540047742 /nfs/dbraw/zinc/04/77/42/540047742.db2.gz YLVPDCOCZGOGPL-GUTXKFCHSA-N 2 1 280.799 2.179 20 0 CEADMP CO[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000669927836 540047745 /nfs/dbraw/zinc/04/77/45/540047745.db2.gz YLVPDCOCZGOGPL-GUTXKFCHSA-N 2 1 280.799 2.179 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)C(C)(C)C)C1 ZINC000336790468 283062817 /nfs/dbraw/zinc/06/28/17/283062817.db2.gz XDFKXWFKXDVBBH-KBPBESRZSA-N 2 1 256.434 2.057 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)C(C)(C)C)C1 ZINC000336790468 283062819 /nfs/dbraw/zinc/06/28/19/283062819.db2.gz XDFKXWFKXDVBBH-KBPBESRZSA-N 2 1 256.434 2.057 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451696583 283076718 /nfs/dbraw/zinc/07/67/18/283076718.db2.gz GOUSHFCIEFOCQY-ZACQAIPSSA-N 2 1 291.439 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451696583 283076721 /nfs/dbraw/zinc/07/67/21/283076721.db2.gz GOUSHFCIEFOCQY-ZACQAIPSSA-N 2 1 291.439 2.455 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CCO)c1ccccc1 ZINC000271813070 191343277 /nfs/dbraw/zinc/34/32/77/191343277.db2.gz UPCBHGBALHWJNS-HZPDHXFCSA-N 2 1 262.397 2.184 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@H]2CCSC2)C1 ZINC000377836067 283095022 /nfs/dbraw/zinc/09/50/22/283095022.db2.gz YPEMGJSYVYBWCD-HZSPNIEDSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@H]2CCSC2)C1 ZINC000377836067 283095023 /nfs/dbraw/zinc/09/50/23/283095023.db2.gz YPEMGJSYVYBWCD-HZSPNIEDSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@H]2CCSC2)C1 ZINC000377836067 283095025 /nfs/dbraw/zinc/09/50/25/283095025.db2.gz YPEMGJSYVYBWCD-HZSPNIEDSA-N 2 1 254.443 2.156 20 0 CEADMP COC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000495692755 291066307 /nfs/dbraw/zinc/06/63/07/291066307.db2.gz XHNFYRGBXXUKMY-DOMZBBRYSA-N 2 1 291.395 2.295 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc2cn[nH]c2c1)C1CC[NH+](C)CC1 ZINC000671301289 540154245 /nfs/dbraw/zinc/15/42/45/540154245.db2.gz LUWRHLXOQJGQBN-CYBMUJFWSA-N 2 1 286.423 2.425 20 0 CEADMP CCOc1cccc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000573725244 314173869 /nfs/dbraw/zinc/17/38/69/314173869.db2.gz ICRNXQMICKYTRS-UHFFFAOYSA-N 2 1 250.386 2.469 20 0 CEADMP CCOc1cccc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000573725244 314173873 /nfs/dbraw/zinc/17/38/73/314173873.db2.gz ICRNXQMICKYTRS-UHFFFAOYSA-N 2 1 250.386 2.469 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000574116456 314187279 /nfs/dbraw/zinc/18/72/79/314187279.db2.gz WVAUDJNYSGAHSM-ZBFHGGJFSA-N 2 1 278.440 2.255 20 0 CEADMP CO[C@H]1C[C@H]([N@H+](C)CCn2cc[nH+]c2C)C12CCC2 ZINC000451835534 283120982 /nfs/dbraw/zinc/12/09/82/283120982.db2.gz AWWZBIWARJJOMJ-KBPBESRZSA-N 2 1 263.385 2.081 20 0 CEADMP CO[C@H]1C[C@H]([N@@H+](C)CCn2cc[nH+]c2C)C12CCC2 ZINC000451835534 283120988 /nfs/dbraw/zinc/12/09/88/283120988.db2.gz AWWZBIWARJJOMJ-KBPBESRZSA-N 2 1 263.385 2.081 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)[C@@H]2CCC[C@H]21 ZINC000353671031 283136462 /nfs/dbraw/zinc/13/64/62/283136462.db2.gz CBIJBAJGDCUABV-YHUYYLMFSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000385260561 540227102 /nfs/dbraw/zinc/22/71/02/540227102.db2.gz VKCJZXIJHGGDOM-KFWWJZLASA-N 2 1 256.434 2.246 20 0 CEADMP CCSCC[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000273690603 192263184 /nfs/dbraw/zinc/26/31/84/192263184.db2.gz IFDADLCODFTAIG-UHFFFAOYSA-N 2 1 294.464 2.362 20 0 CEADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000338298148 366281277 /nfs/dbraw/zinc/28/12/77/366281277.db2.gz TWQYNRORMLBIBQ-HZSPNIEDSA-N 2 1 270.417 2.038 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000386384090 540252632 /nfs/dbraw/zinc/25/26/32/540252632.db2.gz UJRNAAOTWSWIQW-KFWWJZLASA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000386384090 540252635 /nfs/dbraw/zinc/25/26/35/540252635.db2.gz UJRNAAOTWSWIQW-KFWWJZLASA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000386384090 540252638 /nfs/dbraw/zinc/25/26/38/540252638.db2.gz UJRNAAOTWSWIQW-KFWWJZLASA-N 2 1 256.434 2.198 20 0 CEADMP CCC(CC)(CCO)[NH2+]CCCn1cc[nH+]c1C ZINC000338378410 366328493 /nfs/dbraw/zinc/32/84/93/366328493.db2.gz SDDSSVYBBYIBDJ-UHFFFAOYSA-N 2 1 253.390 2.112 20 0 CEADMP Cc1cc(N2CCC([NH2+]CC(C)C)CC2)nc(C)[nH+]1 ZINC000121391053 538880070 /nfs/dbraw/zinc/88/00/70/538880070.db2.gz DOEWRUDOXKGYGN-UHFFFAOYSA-N 2 1 262.401 2.308 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000306729539 540298084 /nfs/dbraw/zinc/29/80/84/540298084.db2.gz DDCWJVVVXSNBGZ-ZACQAIPSSA-N 2 1 274.408 2.405 20 0 CEADMP CC[C@H]1CCC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000079342622 363590448 /nfs/dbraw/zinc/59/04/48/363590448.db2.gz FLZQCBDCMFAJRO-NSHDSACASA-N 2 1 266.389 2.276 20 0 CEADMP CC[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000079342622 363590451 /nfs/dbraw/zinc/59/04/51/363590451.db2.gz FLZQCBDCMFAJRO-NSHDSACASA-N 2 1 266.389 2.276 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC1 ZINC000166559061 540355653 /nfs/dbraw/zinc/35/56/53/540355653.db2.gz UXOLVRZOZTUUHC-IRXDYDNUSA-N 2 1 274.408 2.109 20 0 CEADMP Cc1cccn2c(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cnc12 ZINC000336224091 213050942 /nfs/dbraw/zinc/05/09/42/213050942.db2.gz AAOBPUYPFAJHOL-KBPBESRZSA-N 2 1 272.396 2.202 20 0 CEADMP Cc1cccn2c(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cnc12 ZINC000336224091 213050944 /nfs/dbraw/zinc/05/09/44/213050944.db2.gz AAOBPUYPFAJHOL-KBPBESRZSA-N 2 1 272.396 2.202 20 0 CEADMP CC(C)CC[C@@](C)(O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352800414 219639030 /nfs/dbraw/zinc/63/90/30/219639030.db2.gz ZQNQVHNJFAVWMO-OAHLLOKOSA-N 2 1 299.484 2.482 20 0 CEADMP CCc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(C)n1 ZINC000158374564 540385181 /nfs/dbraw/zinc/38/51/81/540385181.db2.gz JJVPGQKUKPMWSK-ZIAGYGMSSA-N 2 1 260.385 2.386 20 0 CEADMP CCc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(C)[nH+]1 ZINC000158374564 540385182 /nfs/dbraw/zinc/38/51/82/540385182.db2.gz JJVPGQKUKPMWSK-ZIAGYGMSSA-N 2 1 260.385 2.386 20 0 CEADMP CCc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(C)[nH+]1 ZINC000158374564 540385183 /nfs/dbraw/zinc/38/51/83/540385183.db2.gz JJVPGQKUKPMWSK-ZIAGYGMSSA-N 2 1 260.385 2.386 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](COC(N)=O)Cc1ccccc1 ZINC000496426083 291138316 /nfs/dbraw/zinc/13/83/16/291138316.db2.gz VSWXZDZLVDMAKT-LSDHHAIUSA-N 2 1 293.411 2.070 20 0 CEADMP C[NH+]1CCC(CC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000336206315 213026976 /nfs/dbraw/zinc/02/69/76/213026976.db2.gz VUKXUDPGZYJSNX-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP COCc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000135086187 366393891 /nfs/dbraw/zinc/39/38/91/366393891.db2.gz UZXSXZOLROTZPD-CJNGLKHVSA-N 2 1 262.397 2.263 20 0 CEADMP Cc1ncc(CNCC(C)(C)[N@H+]2CCC[C@H](C)C2)n1C ZINC000577887078 366414178 /nfs/dbraw/zinc/41/41/78/366414178.db2.gz CMPGRBWVVPFNJG-ZDUSSCGKSA-N 2 1 278.444 2.329 20 0 CEADMP Cc1ncc(C[NH2+]CC(C)(C)N2CCC[C@H](C)C2)n1C ZINC000577887078 366414181 /nfs/dbraw/zinc/41/41/81/366414181.db2.gz CMPGRBWVVPFNJG-ZDUSSCGKSA-N 2 1 278.444 2.329 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(C)(C)C(=O)OC)C1 ZINC000338545119 366404077 /nfs/dbraw/zinc/40/40/77/366404077.db2.gz HOMWQJVTFAMFJD-CQSZACIVSA-N 2 1 284.444 2.239 20 0 CEADMP Fc1ccccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415052401 236609833 /nfs/dbraw/zinc/60/98/33/236609833.db2.gz LBNLRGKWYTYNGL-UHFFFAOYSA-N 2 1 291.414 2.132 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079518392 363612487 /nfs/dbraw/zinc/61/24/87/363612487.db2.gz KYENGJDORWYOHN-KRWDZBQOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000578248209 366468775 /nfs/dbraw/zinc/46/87/75/366468775.db2.gz YWDCUKCRVPCNGC-IAGOWNOFSA-N 3 1 275.440 2.498 20 0 CEADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000312998132 540463527 /nfs/dbraw/zinc/46/35/27/540463527.db2.gz YVBQXSWAIJUWNR-HZPDHXFCSA-N 2 1 298.471 2.018 20 0 CEADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000312998132 540463529 /nfs/dbraw/zinc/46/35/29/540463529.db2.gz YVBQXSWAIJUWNR-HZPDHXFCSA-N 2 1 298.471 2.018 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671770629 540508496 /nfs/dbraw/zinc/50/84/96/540508496.db2.gz HRWWMRPLKAQIFH-OAGGEKHMSA-N 2 1 265.445 2.077 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671770629 540508500 /nfs/dbraw/zinc/50/85/00/540508500.db2.gz HRWWMRPLKAQIFH-OAGGEKHMSA-N 2 1 265.445 2.077 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671770629 540508503 /nfs/dbraw/zinc/50/85/03/540508503.db2.gz HRWWMRPLKAQIFH-OAGGEKHMSA-N 2 1 265.445 2.077 20 0 CEADMP FC(F)(F)c1cccnc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856417 540510023 /nfs/dbraw/zinc/51/00/23/540510023.db2.gz HADLSTBUSYTSHD-SNVBAGLBSA-N 2 1 273.302 2.332 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccccc1C ZINC000578717575 366536884 /nfs/dbraw/zinc/53/68/84/366536884.db2.gz ZRGUKGIQSHQFGS-RDJZCZTQSA-N 2 1 276.424 2.445 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccccc1C ZINC000578717575 366536891 /nfs/dbraw/zinc/53/68/91/366536891.db2.gz ZRGUKGIQSHQFGS-RDJZCZTQSA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000578717575 366536896 /nfs/dbraw/zinc/53/68/96/366536896.db2.gz ZRGUKGIQSHQFGS-RDJZCZTQSA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1C ZINC000578717575 366536903 /nfs/dbraw/zinc/53/69/03/366536903.db2.gz ZRGUKGIQSHQFGS-RDJZCZTQSA-N 2 1 276.424 2.445 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccncc2)[C@H](C)C1 ZINC000081095707 363701635 /nfs/dbraw/zinc/70/16/35/363701635.db2.gz USMNFUAPRKSVCX-ZBFHGGJFSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccncc2)[C@H](C)C1 ZINC000081095707 363701636 /nfs/dbraw/zinc/70/16/36/363701636.db2.gz USMNFUAPRKSVCX-ZBFHGGJFSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccncc2)[C@H](C)C1 ZINC000081095707 363701640 /nfs/dbraw/zinc/70/16/40/363701640.db2.gz USMNFUAPRKSVCX-ZBFHGGJFSA-N 2 1 261.413 2.286 20 0 CEADMP C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339066511 366638540 /nfs/dbraw/zinc/63/85/40/366638540.db2.gz FKVBXSGMGKSGCR-VNQPRFMTSA-N 2 1 259.397 2.229 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000339068613 366638871 /nfs/dbraw/zinc/63/88/71/366638871.db2.gz LHMIKLPUFLUPNQ-ZIAGYGMSSA-N 2 1 292.427 2.342 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(N2CCOC2=O)cc1 ZINC000151913734 366675326 /nfs/dbraw/zinc/67/53/26/366675326.db2.gz IGUFNRCNSMLFJD-CYBMUJFWSA-N 2 1 291.395 2.246 20 0 CEADMP Cc1[nH]nc2ncc(CN3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)cc12 ZINC000579647337 366676668 /nfs/dbraw/zinc/67/66/68/366676668.db2.gz KVWJJDCESVTYSL-GDBMZVCRSA-N 2 1 299.422 2.182 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccnc2OCC(F)F)C1 ZINC000579494395 366656052 /nfs/dbraw/zinc/65/60/52/366656052.db2.gz NAHSFQRQCZVNJA-NWDGAFQWSA-N 2 1 285.338 2.085 20 0 CEADMP COCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000151662164 366657516 /nfs/dbraw/zinc/65/75/16/366657516.db2.gz FJBHPJFDLUKAKL-UHFFFAOYSA-N 2 1 294.414 2.459 20 0 CEADMP CCc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298036550 200321384 /nfs/dbraw/zinc/32/13/84/200321384.db2.gz GTEWBLAQCBKRLX-SFHVURJKSA-N 2 1 288.435 2.499 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000341896347 216141727 /nfs/dbraw/zinc/14/17/27/216141727.db2.gz KFXIZBJMJCFVQP-XYVMCAHJSA-N 2 1 290.451 2.156 20 0 CEADMP C[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC000674245601 540734727 /nfs/dbraw/zinc/73/47/27/540734727.db2.gz MWEFNKRXZXLMJY-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP c1nc2c([nH]1)CC[C@H]([NH2+]Cc1ccc3nccnc3c1)C2 ZINC000634981894 360598860 /nfs/dbraw/zinc/59/88/60/360598860.db2.gz VXLAIEIANQBOBG-LBPRGKRZSA-N 2 1 279.347 2.000 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000178320600 189106958 /nfs/dbraw/zinc/10/69/58/189106958.db2.gz QRFBOGSNCLNAED-YCPHGPKFSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000178320600 189106959 /nfs/dbraw/zinc/10/69/59/189106959.db2.gz QRFBOGSNCLNAED-YCPHGPKFSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@@H](O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000178543665 189125687 /nfs/dbraw/zinc/12/56/87/189125687.db2.gz DWJMFCIQRDHRAH-IOASZLSFSA-N 2 1 262.397 2.312 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000178981188 189159060 /nfs/dbraw/zinc/15/90/60/189159060.db2.gz RMIVNGIVILDNPU-MRXNPFEDSA-N 2 1 287.451 2.192 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000675497750 540847982 /nfs/dbraw/zinc/84/79/82/540847982.db2.gz HXXSNTVQNXJJKL-HNNXBMFYSA-N 2 1 276.428 2.464 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCN2Cc3ccccc3C2)CC[N@H+]1C ZINC000675780612 540873169 /nfs/dbraw/zinc/87/31/69/540873169.db2.gz RSVFQQRQIIIUAG-RHSMWYFYSA-N 2 1 273.424 2.075 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2(CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000675925636 540883432 /nfs/dbraw/zinc/88/34/32/540883432.db2.gz KHZLXVXRGCPUTR-RDJZCZTQSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000675925636 540883435 /nfs/dbraw/zinc/88/34/35/540883435.db2.gz KHZLXVXRGCPUTR-RDJZCZTQSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H](Cc1cccs1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000675822426 540876689 /nfs/dbraw/zinc/87/66/89/540876689.db2.gz ZSFKGNJOUYJMNC-OAHLLOKOSA-N 2 1 295.496 2.296 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000676463427 540923577 /nfs/dbraw/zinc/92/35/77/540923577.db2.gz VMYZSVXMVIUCDR-GASCZTMLSA-N 2 1 292.423 2.236 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000676463427 540923579 /nfs/dbraw/zinc/92/35/79/540923579.db2.gz VMYZSVXMVIUCDR-GASCZTMLSA-N 2 1 292.423 2.236 20 0 CEADMP C1CC1[N@@H+]1CCC[C@H]2C[NH+]([C@@H]3CCCOC3)CC[C@H]21 ZINC000676712100 540947248 /nfs/dbraw/zinc/94/72/48/540947248.db2.gz DXRCKZOBECHIDM-NUEKZKHPSA-N 2 1 264.413 2.114 20 0 CEADMP C1CC1[N@H+]1CCC[C@H]2C[NH+]([C@@H]3CCCOC3)CC[C@H]21 ZINC000676712100 540947250 /nfs/dbraw/zinc/94/72/50/540947250.db2.gz DXRCKZOBECHIDM-NUEKZKHPSA-N 2 1 264.413 2.114 20 0 CEADMP C1CC1[NH+]1CCC[C@H]2C[N@@H+]([C@@H]3CCCOC3)CC[C@H]21 ZINC000676712100 540947253 /nfs/dbraw/zinc/94/72/53/540947253.db2.gz DXRCKZOBECHIDM-NUEKZKHPSA-N 2 1 264.413 2.114 20 0 CEADMP C1CC1[NH+]1CCC[C@H]2C[N@H+]([C@@H]3CCCOC3)CC[C@H]21 ZINC000676712100 540947255 /nfs/dbraw/zinc/94/72/55/540947255.db2.gz DXRCKZOBECHIDM-NUEKZKHPSA-N 2 1 264.413 2.114 20 0 CEADMP CC[N@@H+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC000677189663 540991566 /nfs/dbraw/zinc/99/15/66/540991566.db2.gz AEMMXVHXBRVHLQ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC000677189663 540991568 /nfs/dbraw/zinc/99/15/68/540991568.db2.gz AEMMXVHXBRVHLQ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CN(CCC[N@@H+](C)[C@@H]1CCc2ccccc21)CC[NH+](C)C ZINC000677221235 540994623 /nfs/dbraw/zinc/99/46/23/540994623.db2.gz LPSXPWROABYXMG-GOSISDBHSA-N 2 1 289.467 2.489 20 0 CEADMP [NH3+][C@H]1CCCO[C@H]1C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000333491220 283627596 /nfs/dbraw/zinc/62/75/96/283627596.db2.gz DJAMIESSNVGQAL-ZFWWWQNUSA-N 2 1 295.814 2.458 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CCc1ccccc1 ZINC000579727798 366693262 /nfs/dbraw/zinc/69/32/62/366693262.db2.gz YBNIHFVBPVYOBJ-ROUUACIJSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000579727798 366693270 /nfs/dbraw/zinc/69/32/70/366693270.db2.gz YBNIHFVBPVYOBJ-ROUUACIJSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000579727798 366693275 /nfs/dbraw/zinc/69/32/75/366693275.db2.gz YBNIHFVBPVYOBJ-ROUUACIJSA-N 2 1 290.451 2.396 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1)C(C)C ZINC000236994060 370673821 /nfs/dbraw/zinc/67/38/21/370673821.db2.gz ZXOHXXSZAWKGSF-INIZCTEOSA-N 2 1 289.423 2.090 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C1([NH3+])CCCCC1 ZINC000237031524 370680355 /nfs/dbraw/zinc/68/03/55/370680355.db2.gz YVFXLBMIARWIDY-AWEZNQCLSA-N 2 1 281.444 2.029 20 0 CEADMP CC(C)CC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000581543653 366792332 /nfs/dbraw/zinc/79/23/32/366792332.db2.gz PWWLOCQRFILFDU-UYTSQGDYSA-N 2 1 268.445 2.388 20 0 CEADMP CCC[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)CCO1 ZINC000340224996 366807993 /nfs/dbraw/zinc/80/79/93/366807993.db2.gz HEKPDQPLNWWTNT-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000581831887 366825665 /nfs/dbraw/zinc/82/56/65/366825665.db2.gz AHHJIBARYRJHDW-RDJZCZTQSA-N 2 1 276.424 2.348 20 0 CEADMP CN(C)c1cc[nH+]c(NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000301766030 201184209 /nfs/dbraw/zinc/18/42/09/201184209.db2.gz NPQIDSADBFJNLT-UHFFFAOYSA-N 2 1 289.427 2.362 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1noc2ccccc12 ZINC000571820672 299329949 /nfs/dbraw/zinc/32/99/49/299329949.db2.gz HJVNXEMBDRVXJE-WCQYABFASA-N 2 1 259.353 2.306 20 0 CEADMP C[N@@H+](CCCNC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000019913209 361567990 /nfs/dbraw/zinc/56/79/90/361567990.db2.gz JHPYPVFAIOHDIO-UHFFFAOYSA-N 2 1 275.440 2.192 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCc1cccc(F)c1 ZINC000019933393 361568919 /nfs/dbraw/zinc/56/89/19/361568919.db2.gz KRRVZDRQDHGBIJ-OAHLLOKOSA-N 2 1 250.361 2.442 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCc1cccc(F)c1 ZINC000019933393 361568929 /nfs/dbraw/zinc/56/89/29/361568929.db2.gz KRRVZDRQDHGBIJ-OAHLLOKOSA-N 2 1 250.361 2.442 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184232359 189380179 /nfs/dbraw/zinc/38/01/79/189380179.db2.gz OYECSLCQODDURL-AWEZNQCLSA-N 2 1 283.460 2.132 20 0 CEADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000571843118 299331285 /nfs/dbraw/zinc/33/12/85/299331285.db2.gz RUORKKVPRKHCRN-XLNGHYISSA-N 2 1 282.472 2.492 20 0 CEADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000571843118 299331287 /nfs/dbraw/zinc/33/12/87/299331287.db2.gz RUORKKVPRKHCRN-XLNGHYISSA-N 2 1 282.472 2.492 20 0 CEADMP C[C@H](CCCCO)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000679331864 541257942 /nfs/dbraw/zinc/25/79/42/541257942.db2.gz CHNHODGSKAMQGD-ILXRZTDVSA-N 2 1 256.434 2.390 20 0 CEADMP C[C@H](CCCCO)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000679331864 541257947 /nfs/dbraw/zinc/25/79/47/541257947.db2.gz CHNHODGSKAMQGD-ILXRZTDVSA-N 2 1 256.434 2.390 20 0 CEADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]C3CSC3)C2)cc1 ZINC000679625135 541296613 /nfs/dbraw/zinc/29/66/13/541296613.db2.gz CTKYFRCUQHPQIA-OAHLLOKOSA-N 2 1 276.449 2.256 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](OC(F)F)C1 ZINC000679678383 541307855 /nfs/dbraw/zinc/30/78/55/541307855.db2.gz AKWSXHCAHNYOTR-RYUDHWBXSA-N 2 1 262.344 2.174 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](OC(F)F)C1 ZINC000679678383 541307859 /nfs/dbraw/zinc/30/78/59/541307859.db2.gz AKWSXHCAHNYOTR-RYUDHWBXSA-N 2 1 262.344 2.174 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679678383 541307864 /nfs/dbraw/zinc/30/78/64/541307864.db2.gz AKWSXHCAHNYOTR-RYUDHWBXSA-N 2 1 262.344 2.174 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000679678383 541307869 /nfs/dbraw/zinc/30/78/69/541307869.db2.gz AKWSXHCAHNYOTR-RYUDHWBXSA-N 2 1 262.344 2.174 20 0 CEADMP C[C@@H](NC(=O)Nc1ccc2nccn2c1)C1=CC[N@@H+](C)CC1 ZINC000679727935 541313679 /nfs/dbraw/zinc/31/36/79/541313679.db2.gz GOKPGCFAVDGFCW-GFCCVEGCSA-N 2 1 299.378 2.106 20 0 CEADMP COCC[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594116 363982207 /nfs/dbraw/zinc/98/22/07/363982207.db2.gz MLRRDKZTRHGQKD-OAHLLOKOSA-N 2 1 284.444 2.036 20 0 CEADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000090715036 364063438 /nfs/dbraw/zinc/06/34/38/364063438.db2.gz PCCYNQCYUDIZPC-QKPAOTATSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000090715036 364063445 /nfs/dbraw/zinc/06/34/45/364063445.db2.gz PCCYNQCYUDIZPC-QKPAOTATSA-N 2 1 266.429 2.408 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090720157 364063844 /nfs/dbraw/zinc/06/38/44/364063844.db2.gz PQMQHWMCOJDVED-MLGOLLRUSA-N 2 1 275.396 2.217 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)[nH]1 ZINC000093085156 364139956 /nfs/dbraw/zinc/13/99/56/364139956.db2.gz AKEDGZMRYMDYRZ-CYBMUJFWSA-N 2 1 293.411 2.013 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cncn2C)C1 ZINC000237497577 370726444 /nfs/dbraw/zinc/72/64/44/370726444.db2.gz DTMWTVAOQOZBIA-AWEZNQCLSA-N 2 1 264.417 2.022 20 0 CEADMP C1CC1[N@@H+]1CC[C@@H](N[C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000093491267 364192235 /nfs/dbraw/zinc/19/22/35/364192235.db2.gz ZQSSSMCPOCBRPO-XBVQOTNRSA-N 2 1 277.456 2.124 20 0 CEADMP C1CC1[N@H+]1CC[C@@H](N[C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000093491267 364192243 /nfs/dbraw/zinc/19/22/43/364192243.db2.gz ZQSSSMCPOCBRPO-XBVQOTNRSA-N 2 1 277.456 2.124 20 0 CEADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC1=CCCOC1 ZINC000093660152 364211084 /nfs/dbraw/zinc/21/10/84/364211084.db2.gz VRZOOJGUUUXLPJ-HNNXBMFYSA-N 2 1 252.402 2.139 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1=CCCOC1 ZINC000093660152 364211092 /nfs/dbraw/zinc/21/10/92/364211092.db2.gz VRZOOJGUUUXLPJ-HNNXBMFYSA-N 2 1 252.402 2.139 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1=CCCOC1 ZINC000093660152 364211099 /nfs/dbraw/zinc/21/10/99/364211099.db2.gz VRZOOJGUUUXLPJ-HNNXBMFYSA-N 2 1 252.402 2.139 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1=CCCOC1 ZINC000093660152 364211104 /nfs/dbraw/zinc/21/11/04/364211104.db2.gz VRZOOJGUUUXLPJ-HNNXBMFYSA-N 2 1 252.402 2.139 20 0 CEADMP C[C@@H](O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638798147 370758611 /nfs/dbraw/zinc/75/86/11/370758611.db2.gz BSXUKAFNUAOSEK-KMFMINBZSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638798147 370758617 /nfs/dbraw/zinc/75/86/17/370758617.db2.gz BSXUKAFNUAOSEK-KMFMINBZSA-N 2 1 274.408 2.325 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000093770790 364225146 /nfs/dbraw/zinc/22/51/46/364225146.db2.gz HOSOSGSKUJEYEI-AWEZNQCLSA-N 2 1 292.471 2.319 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000093770790 364225148 /nfs/dbraw/zinc/22/51/48/364225148.db2.gz HOSOSGSKUJEYEI-AWEZNQCLSA-N 2 1 292.471 2.319 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000093770790 364225150 /nfs/dbraw/zinc/22/51/50/364225150.db2.gz HOSOSGSKUJEYEI-AWEZNQCLSA-N 2 1 292.471 2.319 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000093770790 364225152 /nfs/dbraw/zinc/22/51/52/364225152.db2.gz HOSOSGSKUJEYEI-AWEZNQCLSA-N 2 1 292.471 2.319 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094722685 364290728 /nfs/dbraw/zinc/29/07/28/364290728.db2.gz XDBPMMJXNYEEEU-LSDHHAIUSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000094722685 364290734 /nfs/dbraw/zinc/29/07/34/364290734.db2.gz XDBPMMJXNYEEEU-LSDHHAIUSA-N 2 1 284.407 2.359 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000334982173 364306583 /nfs/dbraw/zinc/30/65/83/364306583.db2.gz YWDYTMLHXFHIKG-QGZVFWFLSA-N 2 1 287.407 2.221 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000334982173 364306586 /nfs/dbraw/zinc/30/65/86/364306586.db2.gz YWDYTMLHXFHIKG-QGZVFWFLSA-N 2 1 287.407 2.221 20 0 CEADMP c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000335032372 364379124 /nfs/dbraw/zinc/37/91/24/364379124.db2.gz WFQMAHOXRGWYDR-ZBFHGGJFSA-N 2 1 260.381 2.032 20 0 CEADMP C[N@H+]1CCCC12CCN(CC[C@@H]1CCCC[NH+]1C)CC2 ZINC000335110128 364490998 /nfs/dbraw/zinc/49/09/98/364490998.db2.gz GDSQYKUDYBEIRO-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP C[NH+]1CCCC12CCN(CC[C@@H]1CCCC[N@@H+]1C)CC2 ZINC000335110128 364491005 /nfs/dbraw/zinc/49/10/05/364491005.db2.gz GDSQYKUDYBEIRO-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP C[NH+]1CCCC12CCN(CC[C@@H]1CCCC[N@H+]1C)CC2 ZINC000335110128 364491011 /nfs/dbraw/zinc/49/10/11/364491011.db2.gz GDSQYKUDYBEIRO-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP Cc1n[nH]c(C)c1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335148333 364543074 /nfs/dbraw/zinc/54/30/74/364543074.db2.gz VYBUMZHWGTXRBN-PBWFPOADSA-N 2 1 262.401 2.084 20 0 CEADMP Cn1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(C(C)(C)C)n1 ZINC000158480590 366856903 /nfs/dbraw/zinc/85/69/03/366856903.db2.gz IIHNTLXQVNYUFD-CYBMUJFWSA-N 2 1 278.444 2.278 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000105480629 364700140 /nfs/dbraw/zinc/70/01/40/364700140.db2.gz ZIRWYKUASHNZDH-WBMJQRKESA-N 2 1 275.396 2.075 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000335638015 212352523 /nfs/dbraw/zinc/35/25/23/212352523.db2.gz ZQTZWOZNLMDYQV-QWHCGFSZSA-N 2 1 265.426 2.273 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000335631294 364817543 /nfs/dbraw/zinc/81/75/43/364817543.db2.gz AAFXPPZHMBZUTQ-QWHCGFSZSA-N 2 1 265.426 2.273 20 0 CEADMP CC[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114455201 364945054 /nfs/dbraw/zinc/94/50/54/364945054.db2.gz FCRQQVKCQXDFAE-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)CC[N@@H+]1C ZINC000335815135 365020241 /nfs/dbraw/zinc/02/02/41/365020241.db2.gz YWKJSEYQPAPBJD-BBRMVZONSA-N 2 1 299.418 2.111 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)CC[N@H+]1C ZINC000335815135 365020246 /nfs/dbraw/zinc/02/02/46/365020246.db2.gz YWKJSEYQPAPBJD-BBRMVZONSA-N 2 1 299.418 2.111 20 0 CEADMP Cc1ccncc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638836553 370786104 /nfs/dbraw/zinc/78/61/04/370786104.db2.gz ICUIPHRQQJEJSX-CQSZACIVSA-N 2 1 291.439 2.276 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000119028880 365202019 /nfs/dbraw/zinc/20/20/19/365202019.db2.gz BZERHTLUWCYAFM-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)[C@H](C)C1 ZINC000356792590 370796107 /nfs/dbraw/zinc/79/61/07/370796107.db2.gz UQWJDDBQWVZYFM-HUUCEWRRSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)[C@H](C)C1 ZINC000356792590 370796111 /nfs/dbraw/zinc/79/61/11/370796111.db2.gz UQWJDDBQWVZYFM-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000119615931 365299544 /nfs/dbraw/zinc/29/95/44/365299544.db2.gz PTQOFYKKXKYDRZ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000119615931 365299550 /nfs/dbraw/zinc/29/95/50/365299550.db2.gz PTQOFYKKXKYDRZ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000119615931 365299555 /nfs/dbraw/zinc/29/95/55/365299555.db2.gz PTQOFYKKXKYDRZ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000582130056 366868469 /nfs/dbraw/zinc/86/84/69/366868469.db2.gz OZDNZLYVLBXTNW-MSOLQXFVSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000582130056 366868475 /nfs/dbraw/zinc/86/84/75/366868475.db2.gz OZDNZLYVLBXTNW-MSOLQXFVSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000582130056 366868479 /nfs/dbraw/zinc/86/84/79/366868479.db2.gz OZDNZLYVLBXTNW-MSOLQXFVSA-N 2 1 290.451 2.396 20 0 CEADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C2CCCC2)CC1 ZINC000120092086 365371118 /nfs/dbraw/zinc/37/11/18/365371118.db2.gz JJWSCHJVMYTZHR-INIZCTEOSA-N 2 1 265.445 2.031 20 0 CEADMP CC[C@H](Cn1cncn1)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000340468555 366895015 /nfs/dbraw/zinc/89/50/15/366895015.db2.gz FOBACEGDKMQXAT-OAHLLOKOSA-N 2 1 293.459 2.301 20 0 CEADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000340483879 366904212 /nfs/dbraw/zinc/90/42/12/366904212.db2.gz LDBACFVCRBMDDM-ULQDDVLXSA-N 2 1 280.456 2.392 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@](C)(c2ccccc2)C1 ZINC000582398727 366905447 /nfs/dbraw/zinc/90/54/47/366905447.db2.gz PCVBBZCMWCTKHD-QZTJIDSGSA-N 2 1 290.451 2.353 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000582398727 366905459 /nfs/dbraw/zinc/90/54/59/366905459.db2.gz PCVBBZCMWCTKHD-QZTJIDSGSA-N 2 1 290.451 2.353 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000582398727 366905463 /nfs/dbraw/zinc/90/54/63/366905463.db2.gz PCVBBZCMWCTKHD-QZTJIDSGSA-N 2 1 290.451 2.353 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000582485203 366916936 /nfs/dbraw/zinc/91/69/36/366916936.db2.gz FBDBJRIHXMJTKS-HZPDHXFCSA-N 2 1 289.423 2.067 20 0 CEADMP C[N@@H+](CCCOc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000340704522 366997636 /nfs/dbraw/zinc/99/76/36/366997636.db2.gz AFLOAOUMHCSULU-MRXNPFEDSA-N 2 1 262.397 2.387 20 0 CEADMP CC(C)n1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000583492302 367056220 /nfs/dbraw/zinc/05/62/20/367056220.db2.gz BAIDFCMFRNXKRI-ZFWWWQNUSA-N 2 1 264.417 2.236 20 0 CEADMP CC(C)n1cc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cn1 ZINC000583492302 367056225 /nfs/dbraw/zinc/05/62/25/367056225.db2.gz BAIDFCMFRNXKRI-ZFWWWQNUSA-N 2 1 264.417 2.236 20 0 CEADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000583494038 367057176 /nfs/dbraw/zinc/05/71/76/367057176.db2.gz FUPPBWGPKIRPOX-BBRMVZONSA-N 2 1 290.407 2.041 20 0 CEADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]CC[NH3+])CC2 ZINC000335562255 212268715 /nfs/dbraw/zinc/26/87/15/212268715.db2.gz AQNJBJIBGKALPI-NSHDSACASA-N 2 1 269.186 2.293 20 0 CEADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCOCC1 ZINC000583675684 367081255 /nfs/dbraw/zinc/08/12/55/367081255.db2.gz RNJJRFKOWYCTDS-WTXIUTQJSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000340952950 367105603 /nfs/dbraw/zinc/10/56/03/367105603.db2.gz LGZDNVZNLQYGAG-MRXNPFEDSA-N 2 1 297.487 2.296 20 0 CEADMP C[C@H]1CCC[N@H+]1C1CCN(CCC[NH+]2CCCC2)CC1 ZINC000162586850 367170467 /nfs/dbraw/zinc/17/04/67/367170467.db2.gz WQUXCQYFPHPPQW-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP Cc1cccnc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245546941 370836414 /nfs/dbraw/zinc/83/64/14/370836414.db2.gz WVQFWJVXXUZXJX-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccnc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245546941 370836417 /nfs/dbraw/zinc/83/64/17/370836417.db2.gz WVQFWJVXXUZXJX-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccnc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245546941 370836419 /nfs/dbraw/zinc/83/64/19/370836419.db2.gz WVQFWJVXXUZXJX-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](n2cccn2)C1 ZINC000162891193 367200329 /nfs/dbraw/zinc/20/03/29/367200329.db2.gz IKYBSHFSTZHSGH-GJZGRUSLSA-N 2 1 262.401 2.004 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000162891193 367200333 /nfs/dbraw/zinc/20/03/33/367200333.db2.gz IKYBSHFSTZHSGH-GJZGRUSLSA-N 2 1 262.401 2.004 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000341173247 367206694 /nfs/dbraw/zinc/20/66/94/367206694.db2.gz OBIGKVYEFBCVOJ-UHFFFAOYSA-N 2 1 299.422 2.041 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000163196577 367224079 /nfs/dbraw/zinc/22/40/79/367224079.db2.gz IFHCFYHBIIEWPE-JQWIXIFHSA-N 2 1 270.323 2.457 20 0 CEADMP CCC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C)[NH+](C)C ZINC000164179504 367278288 /nfs/dbraw/zinc/27/82/88/367278288.db2.gz SZGDHPAFILCCDN-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000341247830 367243820 /nfs/dbraw/zinc/24/38/20/367243820.db2.gz UKYPYCUPWWCSAI-GUTXKFCHSA-N 2 1 277.412 2.094 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000341247830 367243824 /nfs/dbraw/zinc/24/38/24/367243824.db2.gz UKYPYCUPWWCSAI-GUTXKFCHSA-N 2 1 277.412 2.094 20 0 CEADMP COC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165344570 367307449 /nfs/dbraw/zinc/30/74/49/367307449.db2.gz SLTDNUVYRLBOOQ-WBVHZDCISA-N 2 1 276.424 2.176 20 0 CEADMP C[C@H](CCC(C)(C)C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000342699246 367489114 /nfs/dbraw/zinc/48/91/14/367489114.db2.gz NQTRPULGRBRCNK-CABCVRRESA-N 2 1 297.487 2.378 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)[C@@H](C)C1 ZINC000342815436 367552578 /nfs/dbraw/zinc/55/25/78/367552578.db2.gz ZUDHBHWOQJNMBX-XJKSGUPXSA-N 2 1 286.423 2.425 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c3CCOC4)C[C@@H]21 ZINC000631823346 367561037 /nfs/dbraw/zinc/56/10/37/367561037.db2.gz BZBCGTGBJOVPDS-JCGIZDLHSA-N 2 1 286.419 2.319 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)CC[C@@H]1[NH3+] ZINC000631824885 367562607 /nfs/dbraw/zinc/56/26/07/367562607.db2.gz TTZPLKBZJQGTTA-DYVFJYSZSA-N 2 1 274.408 2.319 20 0 CEADMP CC1([NH3+])CC[NH+](CCc2cccc3c2OC(F)(F)O3)CC1 ZINC000631824482 367562657 /nfs/dbraw/zinc/56/26/57/367562657.db2.gz IAEWTRKRAPIJQP-UHFFFAOYSA-N 2 1 298.333 2.364 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC000631838586 367578941 /nfs/dbraw/zinc/57/89/41/367578941.db2.gz QTGAPVJSWHOFAL-ZYHUDNBSSA-N 2 1 268.788 2.375 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC000631838586 367578947 /nfs/dbraw/zinc/57/89/47/367578947.db2.gz QTGAPVJSWHOFAL-ZYHUDNBSSA-N 2 1 268.788 2.375 20 0 CEADMP COc1ccccc1CCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839028 367579040 /nfs/dbraw/zinc/57/90/40/367579040.db2.gz YTRYEMCQSQNZGX-DZGCQCFKSA-N 2 1 262.397 2.154 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2OC(F)F)C[C@H]1C[NH3+] ZINC000631842068 367582784 /nfs/dbraw/zinc/58/27/84/367582784.db2.gz UUESVKFSPDEOPZ-CMPLNLGQSA-N 2 1 270.323 2.315 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2OC(F)F)C[C@H]1C[NH3+] ZINC000631842068 367582788 /nfs/dbraw/zinc/58/27/88/367582788.db2.gz UUESVKFSPDEOPZ-CMPLNLGQSA-N 2 1 270.323 2.315 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841647 367584264 /nfs/dbraw/zinc/58/42/64/367584264.db2.gz NLJHVKKZKFPAGE-HUUCEWRRSA-N 2 1 262.397 2.291 20 0 CEADMP [NH3+][C@H]1CCCCC[N@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000631834418 367573006 /nfs/dbraw/zinc/57/30/06/367573006.db2.gz WZYKLQOLEUXRKP-INIZCTEOSA-N 2 1 295.471 2.276 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000631834418 367573015 /nfs/dbraw/zinc/57/30/15/367573015.db2.gz WZYKLQOLEUXRKP-INIZCTEOSA-N 2 1 295.471 2.276 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2nsc3ccccc32)C[C@H]1C[NH3+] ZINC000631836741 367575392 /nfs/dbraw/zinc/57/53/92/367575392.db2.gz GCAIOFDRWWDTNH-VXGBXAGGSA-N 2 1 275.421 2.365 20 0 CEADMP OCC[NH2+]C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000631864568 367600304 /nfs/dbraw/zinc/60/03/04/367600304.db2.gz PYFPUDWOHWZGSP-UHFFFAOYSA-N 2 1 296.842 2.319 20 0 CEADMP Fc1ccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631888196 367608785 /nfs/dbraw/zinc/60/87/85/367608785.db2.gz XCSADCMEVHMTJC-CZUORRHYSA-N 2 1 278.371 2.278 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000343063045 367652987 /nfs/dbraw/zinc/65/29/87/367652987.db2.gz GRPIUBMRXFYGBI-WBVHZDCISA-N 2 1 275.440 2.048 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@@H]1NCCC[N@H+](C)Cc1ccccc1 ZINC000343063045 367652990 /nfs/dbraw/zinc/65/29/90/367652990.db2.gz GRPIUBMRXFYGBI-WBVHZDCISA-N 2 1 275.440 2.048 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000343063045 367652996 /nfs/dbraw/zinc/65/29/96/367652996.db2.gz GRPIUBMRXFYGBI-WBVHZDCISA-N 2 1 275.440 2.048 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000343275309 367739445 /nfs/dbraw/zinc/73/94/45/367739445.db2.gz TUVZERPAYCUNIE-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CCC(CC)[C@H](CN[C@H]1C[N@@H+](CC)C[C@@H]1C)[NH+](C)C ZINC000343275177 367739738 /nfs/dbraw/zinc/73/97/38/367739738.db2.gz SRDNWQUFBPCRCH-BPUTZDHNSA-N 2 1 269.477 2.283 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)CC[N@@H+]1C ZINC000245910194 370886408 /nfs/dbraw/zinc/88/64/08/370886408.db2.gz CKUQLMXDOWRKIU-APIJFGDWSA-N 2 1 284.469 2.113 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)CC[N@H+]1C ZINC000245910194 370886415 /nfs/dbraw/zinc/88/64/15/370886415.db2.gz CKUQLMXDOWRKIU-APIJFGDWSA-N 2 1 284.469 2.113 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)CC2CCCC2)CC[N@H+]1C ZINC000343597486 367906098 /nfs/dbraw/zinc/90/60/98/367906098.db2.gz KUNAUFAIVUNRNL-KBMXLJTQSA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(CC)CCC[NH+]2CCCC2)CC[N@H+]1C ZINC000632725116 367892181 /nfs/dbraw/zinc/89/21/81/367892181.db2.gz CHWBEZHWIIRKOQ-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C(=O)OC)o2)[C@H](C)C1 ZINC000174770893 368066287 /nfs/dbraw/zinc/06/62/87/368066287.db2.gz AHJYPZIEKFYAPN-OCCSQVGLSA-N 2 1 294.395 2.228 20 0 CEADMP CCc1cnc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000344127734 368110549 /nfs/dbraw/zinc/11/05/49/368110549.db2.gz ZJBPGTAIVILWLC-PWSUYJOCSA-N 2 1 253.415 2.135 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH+]1CCCC[C@H]1C ZINC000344301837 368118796 /nfs/dbraw/zinc/11/87/96/368118796.db2.gz YLMMDBPEOPTEGD-OAGGEKHMSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000344301837 368118800 /nfs/dbraw/zinc/11/88/00/368118800.db2.gz YLMMDBPEOPTEGD-OAGGEKHMSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000344301837 368118806 /nfs/dbraw/zinc/11/88/06/368118806.db2.gz YLMMDBPEOPTEGD-OAGGEKHMSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000343969109 368096574 /nfs/dbraw/zinc/09/65/74/368096574.db2.gz BPOACQDEDLRSFX-GJZGRUSLSA-N 2 1 266.433 2.372 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000343969109 368096581 /nfs/dbraw/zinc/09/65/81/368096581.db2.gz BPOACQDEDLRSFX-GJZGRUSLSA-N 2 1 266.433 2.372 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCNC(=O)CC2CCCC2)[C@@H](C)C1 ZINC000345159604 368174708 /nfs/dbraw/zinc/17/47/08/368174708.db2.gz HUPKWISFPUZGHN-HOCLYGCPSA-N 2 1 295.471 2.003 20 0 CEADMP COc1ccc(C)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000345179131 368183366 /nfs/dbraw/zinc/18/33/66/368183366.db2.gz VIPCYNVRQSFGND-UHFFFAOYSA-N 2 1 260.381 2.355 20 0 CEADMP CCOC1CC(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000353286014 220008346 /nfs/dbraw/zinc/00/83/46/220008346.db2.gz CAQAJGKYBZHFKI-VXGQWTEUSA-N 2 1 254.418 2.121 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000345731711 368393506 /nfs/dbraw/zinc/39/35/06/368393506.db2.gz TVEPXQSBADYKTB-HNNXBMFYSA-N 2 1 286.460 2.234 20 0 CEADMP C[N@@H+](CCCC(=O)OC(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000181906462 368505528 /nfs/dbraw/zinc/50/55/28/368505528.db2.gz SYWLDPWQVVLRGP-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP C[NH+](CCCC(=O)OC(C)(C)C)C[C@H]1CCC[N@H+](C)C1 ZINC000181906462 368505531 /nfs/dbraw/zinc/50/55/31/368505531.db2.gz SYWLDPWQVVLRGP-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP C[NH+](CCCC(=O)OC(C)(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC000181906462 368505536 /nfs/dbraw/zinc/50/55/36/368505536.db2.gz SYWLDPWQVVLRGP-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnccn1 ZINC000246843988 296122075 /nfs/dbraw/zinc/12/20/75/296122075.db2.gz BAXBAVGRUAKBGX-QLFBSQMISA-N 2 1 292.427 2.017 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000682703268 541702131 /nfs/dbraw/zinc/70/21/31/541702131.db2.gz HITNVCWGALEDNP-UHFFFAOYSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000182940973 368601618 /nfs/dbraw/zinc/60/16/18/368601618.db2.gz INESOJJKIVBOHN-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]1CN(c2ccccc2)CC[N@H+]1CCn1ccnc1 ZINC000184020763 368665335 /nfs/dbraw/zinc/66/53/35/368665335.db2.gz ORROOMHEAQDKEC-INIZCTEOSA-N 2 1 284.407 2.484 20 0 CEADMP CC(C)[C@H]1CN(C(=O)c2ccc([C@H](C)[NH3+])cc2)CC[N@H+]1C ZINC000634300705 368624690 /nfs/dbraw/zinc/62/46/90/368624690.db2.gz ISTYCVCVKMIKMX-XJKSGUPXSA-N 2 1 289.423 2.119 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCSC2)C[C@H](C)O1 ZINC000183463925 368628010 /nfs/dbraw/zinc/62/80/10/368628010.db2.gz PRBWJJMZGCDLDS-QLFBSQMISA-N 2 1 286.485 2.361 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CCO)C1CCCCC1 ZINC000183722015 368644830 /nfs/dbraw/zinc/64/48/30/368644830.db2.gz CUHZRWTYIKQDQE-HOTGVXAUSA-N 2 1 268.445 2.392 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)c1ccccc1 ZINC000183772697 368649390 /nfs/dbraw/zinc/64/93/90/368649390.db2.gz SNUOXWHPHKZLKI-MRXNPFEDSA-N 2 1 273.380 2.295 20 0 CEADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000346367638 368651627 /nfs/dbraw/zinc/65/16/27/368651627.db2.gz KGCNIZIINLVRFW-FPCVCCKLSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CCCCCC1 ZINC000346557955 368716774 /nfs/dbraw/zinc/71/67/74/368716774.db2.gz NDROOSGVYMIHIO-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc[nH]c2)[C@@H](C)C1 ZINC000246096766 370907732 /nfs/dbraw/zinc/90/77/32/370907732.db2.gz ONAXHXFGIANOIR-HOCLYGCPSA-N 2 1 279.428 2.241 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)c1ccccc1 ZINC000639041298 370919332 /nfs/dbraw/zinc/91/93/32/370919332.db2.gz ILYWEORKWIWDQD-JYJNAYRXSA-N 2 1 289.423 2.066 20 0 CEADMP COc1c(C)cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000346693776 368775487 /nfs/dbraw/zinc/77/54/87/368775487.db2.gz PQDSKWUMFKNORD-ZFWWWQNUSA-N 2 1 262.397 2.481 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000346670641 368761687 /nfs/dbraw/zinc/76/16/87/368761687.db2.gz GRQADPNJTXLONW-ZBFHGGJFSA-N 2 1 284.407 2.101 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000346693261 368775789 /nfs/dbraw/zinc/77/57/89/368775789.db2.gz LTSCRTMLEHIHBK-STQMWFEESA-N 2 1 288.370 2.181 20 0 CEADMP Cc1cccc2ncc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)n21 ZINC000346693432 368775817 /nfs/dbraw/zinc/77/58/17/368775817.db2.gz NBZZDARIBYQBLL-OAHLLOKOSA-N 2 1 274.412 2.448 20 0 CEADMP Cc1cccc2ncc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)n21 ZINC000346693432 368775822 /nfs/dbraw/zinc/77/58/22/368775822.db2.gz NBZZDARIBYQBLL-OAHLLOKOSA-N 2 1 274.412 2.448 20 0 CEADMP CC(C)c1ncc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000346681850 368766619 /nfs/dbraw/zinc/76/66/19/368766619.db2.gz NLIYLWQXBSGCFW-QWRGUYRKSA-N 2 1 253.415 2.436 20 0 CEADMP CC(C)c1ncc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000346681850 368766627 /nfs/dbraw/zinc/76/66/27/368766627.db2.gz NLIYLWQXBSGCFW-QWRGUYRKSA-N 2 1 253.415 2.436 20 0 CEADMP CCOc1cccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)n1 ZINC000346686153 368769048 /nfs/dbraw/zinc/76/90/48/368769048.db2.gz SYPQFDOPZPOMTB-AWEZNQCLSA-N 2 1 265.401 2.286 20 0 CEADMP CCOc1cccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)n1 ZINC000346686153 368769050 /nfs/dbraw/zinc/76/90/50/368769050.db2.gz SYPQFDOPZPOMTB-AWEZNQCLSA-N 2 1 265.401 2.286 20 0 CEADMP C[N@H+](Cc1ccc(N2CCCC2)nc1)CC(C)(C)C[NH3+] ZINC000346693995 368776161 /nfs/dbraw/zinc/77/61/61/368776161.db2.gz QYYLOOTVRQANKN-UHFFFAOYSA-N 2 1 276.428 2.099 20 0 CEADMP C[N@@H+](Cc1ccc(N2CCCC2)nc1)CC(C)(C)C[NH3+] ZINC000346693995 368776164 /nfs/dbraw/zinc/77/61/64/368776164.db2.gz QYYLOOTVRQANKN-UHFFFAOYSA-N 2 1 276.428 2.099 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000346644891 368748640 /nfs/dbraw/zinc/74/86/40/368748640.db2.gz NNQLFFIWIZVYFC-WMLDXEAASA-N 2 1 284.407 2.101 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000346644891 368748647 /nfs/dbraw/zinc/74/86/47/368748647.db2.gz NNQLFFIWIZVYFC-WMLDXEAASA-N 2 1 284.407 2.101 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634678707 368808486 /nfs/dbraw/zinc/80/84/86/368808486.db2.gz BKIUHUZZEBZRNN-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]CCn1ccnc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185672639 368840124 /nfs/dbraw/zinc/84/01/24/368840124.db2.gz ZYJGTTYPVDXBTL-HUUCEWRRSA-N 2 1 276.428 2.126 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)C(F)F)cc1 ZINC000348071856 368884546 /nfs/dbraw/zinc/88/45/46/368884546.db2.gz JFMJVVGDCJUWCS-IINYFYTJSA-N 2 1 295.333 2.457 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@@H]3CCC[NH2+]CC3)c2c1C ZINC000634813621 368903011 /nfs/dbraw/zinc/90/30/11/368903011.db2.gz RPCVYCRYNPODMW-LLVKDONJSA-N 2 1 259.357 2.129 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCc2nn(C)c3ccccc23)CC[N@H+]1C ZINC000186480510 368980735 /nfs/dbraw/zinc/98/07/35/368980735.db2.gz WDDXHOJOTSXKGV-KGLIPLIRSA-N 2 1 286.423 2.188 20 0 CEADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)[C@@H]1CCCO1 ZINC000348278367 368981850 /nfs/dbraw/zinc/98/18/50/368981850.db2.gz KRPVLZTWGIDYCN-KGLIPLIRSA-N 2 1 251.374 2.129 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccn(C)n1 ZINC000635010243 369046790 /nfs/dbraw/zinc/04/67/90/369046790.db2.gz ZDWCBXFXXKXBMS-DZGCQCFKSA-N 2 1 272.396 2.031 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000635010562 369047171 /nfs/dbraw/zinc/04/71/71/369047171.db2.gz AJZYJRUVDBHEFY-QLFBSQMISA-N 2 1 266.429 2.313 20 0 CEADMP C[C@H]1C[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)CC[C@@H]1[NH3+] ZINC000634990819 369020070 /nfs/dbraw/zinc/02/00/70/369020070.db2.gz DTQILPVPAVXXJG-GUYCJALGSA-N 2 1 296.418 2.500 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)CC[C@@H]1[NH3+] ZINC000634990819 369020075 /nfs/dbraw/zinc/02/00/75/369020075.db2.gz DTQILPVPAVXXJG-GUYCJALGSA-N 2 1 296.418 2.500 20 0 CEADMP CN(CC12CC(C1)C[NH2+]2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000634992412 369021425 /nfs/dbraw/zinc/02/14/25/369021425.db2.gz OFGUEGOGNIBFQP-JLAWEPINSA-N 2 1 299.462 2.335 20 0 CEADMP Clc1ccc(CC[NH2+]CC23CC(C2)C[NH2+]3)s1 ZINC000634995464 369025255 /nfs/dbraw/zinc/02/52/55/369025255.db2.gz FXZVNMQICJMNBO-UHFFFAOYSA-N 2 1 256.802 2.286 20 0 CEADMP COCCCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000634998390 369029883 /nfs/dbraw/zinc/02/98/83/369029883.db2.gz FDLYCFHNLXREGY-GDBMZVCRSA-N 2 1 292.423 2.129 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2scnc2C2CC2)C[C@H]1C[NH3+] ZINC000634998894 369031973 /nfs/dbraw/zinc/03/19/73/369031973.db2.gz MQFBLRNQQGVGDI-MWLCHTKSSA-N 2 1 251.399 2.047 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000348292927 368987790 /nfs/dbraw/zinc/98/77/90/368987790.db2.gz NQKWBRWHYZKBHL-AGIUHOORSA-N 2 1 294.361 2.248 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000348292927 368987797 /nfs/dbraw/zinc/98/77/97/368987797.db2.gz NQKWBRWHYZKBHL-AGIUHOORSA-N 2 1 294.361 2.248 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000348292927 368987798 /nfs/dbraw/zinc/98/77/98/368987798.db2.gz NQKWBRWHYZKBHL-AGIUHOORSA-N 2 1 294.361 2.248 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000348292927 368987804 /nfs/dbraw/zinc/98/78/04/368987804.db2.gz NQKWBRWHYZKBHL-AGIUHOORSA-N 2 1 294.361 2.248 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000634955994 368989140 /nfs/dbraw/zinc/98/91/40/368989140.db2.gz WCBKALBYEBGTBP-ZNMIVQPWSA-N 2 1 295.471 2.001 20 0 CEADMP C[NH+](C)C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCCC1 ZINC000635123817 369084335 /nfs/dbraw/zinc/08/43/35/369084335.db2.gz ZGLLCMKMYYDMIB-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000635013765 369053403 /nfs/dbraw/zinc/05/34/03/369053403.db2.gz VOOWFKVBZKCIQT-MHYDHLEJSA-N 2 1 299.462 2.442 20 0 CEADMP Cc1ccc(CN2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000635013765 369053406 /nfs/dbraw/zinc/05/34/06/369053406.db2.gz VOOWFKVBZKCIQT-MHYDHLEJSA-N 2 1 299.462 2.442 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000348765611 369148151 /nfs/dbraw/zinc/14/81/51/369148151.db2.gz RPWYTTHLBFIRNF-WFASDCNBSA-N 2 1 271.364 2.346 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCc1cccc(F)c1 ZINC000348756338 369144183 /nfs/dbraw/zinc/14/41/83/369144183.db2.gz NNMISWHXKNRJHI-OCCSQVGLSA-N 2 1 250.361 2.427 20 0 CEADMP c1cc(OCC2CC2)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000682998178 541749051 /nfs/dbraw/zinc/74/90/51/541749051.db2.gz NYNZYSZYOMGHIN-HZPDHXFCSA-N 2 1 272.392 2.127 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000349029768 369224520 /nfs/dbraw/zinc/22/45/20/369224520.db2.gz KCPPMTWFFPTWJX-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000349029768 369224523 /nfs/dbraw/zinc/22/45/23/369224523.db2.gz KCPPMTWFFPTWJX-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000349117933 369245557 /nfs/dbraw/zinc/24/55/57/369245557.db2.gz LJZMPPNMFKTSAU-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1ccnc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000683014964 541751591 /nfs/dbraw/zinc/75/15/91/541751591.db2.gz XYPSDSAPEMZMCW-UHFFFAOYSA-N 2 1 268.364 2.107 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C[NH+](C)CC(C)(C)C ZINC000635616288 369250155 /nfs/dbraw/zinc/25/01/55/369250155.db2.gz UGUAKCDEBDKCKY-OAHLLOKOSA-N 2 1 297.487 2.297 20 0 CEADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C[N@H+](C)CC(C)(C)C ZINC000635616288 369250160 /nfs/dbraw/zinc/25/01/60/369250160.db2.gz UGUAKCDEBDKCKY-OAHLLOKOSA-N 2 1 297.487 2.297 20 0 CEADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635616288 369250168 /nfs/dbraw/zinc/25/01/68/369250168.db2.gz UGUAKCDEBDKCKY-OAHLLOKOSA-N 2 1 297.487 2.297 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187865774 369239378 /nfs/dbraw/zinc/23/93/78/369239378.db2.gz UWYMJHVHLBSLBZ-MQYQWHSLSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1c[nH+]ccc1N ZINC000188079019 369291814 /nfs/dbraw/zinc/29/18/14/369291814.db2.gz HHHIJCNMAABWCC-CYBMUJFWSA-N 2 1 290.411 2.048 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000635947175 369417206 /nfs/dbraw/zinc/41/72/06/369417206.db2.gz GAHRUGILKLXOBB-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Cn1ccnc1C(C)C ZINC000635947652 369417319 /nfs/dbraw/zinc/41/73/19/369417319.db2.gz KNZRJCHQACCJMU-CQSZACIVSA-N 2 1 294.443 2.243 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000635947652 369417321 /nfs/dbraw/zinc/41/73/21/369417321.db2.gz KNZRJCHQACCJMU-CQSZACIVSA-N 2 1 294.443 2.243 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000635947652 369417326 /nfs/dbraw/zinc/41/73/26/369417326.db2.gz KNZRJCHQACCJMU-CQSZACIVSA-N 2 1 294.443 2.243 20 0 CEADMP COc1cccc(COCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000358225750 370959635 /nfs/dbraw/zinc/95/96/35/370959635.db2.gz MGCIWPKXBMDYSM-ZBFHGGJFSA-N 2 1 292.423 2.284 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)CC[NH3+])cc1)C1CC1 ZINC000349959327 369466194 /nfs/dbraw/zinc/46/61/94/369466194.db2.gz IUGJAJVHBVNRCB-CYBMUJFWSA-N 2 1 289.423 2.138 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)ccc1C ZINC000358214858 370953494 /nfs/dbraw/zinc/95/34/94/370953494.db2.gz FMRSGSNAZTWRBY-HIFRSBDPSA-N 2 1 262.397 2.433 20 0 CEADMP CC[C@](C)(C[N@H+]1CCCC12CC[NH+](C)CC2)OC ZINC000639081364 370954092 /nfs/dbraw/zinc/95/40/92/370954092.db2.gz IJAYPYBHSKYKKH-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2CCC[C@@H]2CCO2)CC1 ZINC000639080815 370954318 /nfs/dbraw/zinc/95/43/18/370954318.db2.gz DEXXNMRDDIAULH-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP CCc1ccc([C@@H](CC)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358248849 370971128 /nfs/dbraw/zinc/97/11/28/370971128.db2.gz JJOQKKCSMRLNQY-SJORKVTESA-N 2 1 276.424 2.356 20 0 CEADMP CCc1ccc([C@@H](CC)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358248849 370971132 /nfs/dbraw/zinc/97/11/32/370971132.db2.gz JJOQKKCSMRLNQY-SJORKVTESA-N 2 1 276.424 2.356 20 0 CEADMP CCCc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358261821 370980229 /nfs/dbraw/zinc/98/02/29/370980229.db2.gz WPXBRPVMTWGEAU-YOEHRIQHSA-N 2 1 276.424 2.356 20 0 CEADMP CCCc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358261821 370980233 /nfs/dbraw/zinc/98/02/33/370980233.db2.gz WPXBRPVMTWGEAU-YOEHRIQHSA-N 2 1 276.424 2.356 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CCCO1 ZINC000639115276 370991266 /nfs/dbraw/zinc/99/12/66/370991266.db2.gz ALPLPFJLYRAKBB-LVQVYYBASA-N 2 1 266.429 2.123 20 0 CEADMP CC[C@H](C)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000350990941 369592099 /nfs/dbraw/zinc/59/20/99/369592099.db2.gz NYJZHJOCSXTWGT-ZQDZILKHSA-N 2 1 254.418 2.216 20 0 CEADMP Cn1nccc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351635687 369645123 /nfs/dbraw/zinc/64/51/23/369645123.db2.gz XXBIWNRUDAGJSI-CVEARBPZSA-N 2 1 290.455 2.474 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCO[C@H]2CCCC[C@H]2C)C1 ZINC000351861375 369654751 /nfs/dbraw/zinc/65/47/51/369654751.db2.gz LAWZZGAWWIRVRS-BARDWOONSA-N 2 1 254.418 2.251 20 0 CEADMP NC(=O)c1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000352503464 369761846 /nfs/dbraw/zinc/76/18/46/369761846.db2.gz GQHUFFIDRCICEE-UHFFFAOYSA-N 2 1 289.423 2.127 20 0 CEADMP Cc1ccn2c(C[N@@H+]3CCCC[C@@H]3CC[NH3+])cnc2c1 ZINC000352525832 369773673 /nfs/dbraw/zinc/77/36/73/369773673.db2.gz IWNGCODJHQKVIA-CQSZACIVSA-N 2 1 272.396 2.346 20 0 CEADMP Cc1ccn2c(C[N@H+]3CCCC[C@@H]3CC[NH3+])cnc2c1 ZINC000352525832 369773676 /nfs/dbraw/zinc/77/36/76/369773676.db2.gz IWNGCODJHQKVIA-CQSZACIVSA-N 2 1 272.396 2.346 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCOc1cccc(F)c1 ZINC000352517671 369770213 /nfs/dbraw/zinc/77/02/13/369770213.db2.gz FHEBRKVICIMEDX-CQSZACIVSA-N 2 1 266.360 2.408 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCOC(C)(C)C2)s1 ZINC000352730865 369859032 /nfs/dbraw/zinc/85/90/32/369859032.db2.gz HETRJQOLKXKXMR-LLVKDONJSA-N 2 1 283.441 2.252 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+]CC1(C)COC1 ZINC000352756181 369869424 /nfs/dbraw/zinc/86/94/24/369869424.db2.gz OTKTZVYHVNQZMV-AWEZNQCLSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+]CC1(C)COC1 ZINC000352756181 369869428 /nfs/dbraw/zinc/86/94/28/369869428.db2.gz OTKTZVYHVNQZMV-AWEZNQCLSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000352927653 369951640 /nfs/dbraw/zinc/95/16/40/369951640.db2.gz KVCMOVFOKBCAPI-UHFFFAOYSA-N 2 1 252.402 2.184 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1C[NH+](CC)C[C@H]1C ZINC000353073192 370008701 /nfs/dbraw/zinc/00/87/01/370008701.db2.gz OQDKUYFJDMUARK-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000353073192 370008703 /nfs/dbraw/zinc/00/87/03/370008703.db2.gz OQDKUYFJDMUARK-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000353073192 370008706 /nfs/dbraw/zinc/00/87/06/370008706.db2.gz OQDKUYFJDMUARK-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccc1C ZINC000194303369 370023836 /nfs/dbraw/zinc/02/38/36/370023836.db2.gz JNEJLMGPTOYEKF-OAHLLOKOSA-N 2 1 262.397 2.435 20 0 CEADMP C[N@@H+](CCCO[C@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353149965 370041193 /nfs/dbraw/zinc/04/11/93/370041193.db2.gz RTVIOCBCRNKXDS-WFVVYAPDSA-N 2 1 296.455 2.477 20 0 CEADMP C[NH+](CCCO[C@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353149965 370041196 /nfs/dbraw/zinc/04/11/96/370041196.db2.gz RTVIOCBCRNKXDS-WFVVYAPDSA-N 2 1 296.455 2.477 20 0 CEADMP C[NH+](CCCO[C@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353149965 370041198 /nfs/dbraw/zinc/04/11/98/370041198.db2.gz RTVIOCBCRNKXDS-WFVVYAPDSA-N 2 1 296.455 2.477 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](COC(F)F)C1 ZINC000353027249 369989381 /nfs/dbraw/zinc/98/93/81/369989381.db2.gz MXLGPRHZVPFLOY-QWHCGFSZSA-N 2 1 276.371 2.422 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353027249 369989387 /nfs/dbraw/zinc/98/93/87/369989387.db2.gz MXLGPRHZVPFLOY-QWHCGFSZSA-N 2 1 276.371 2.422 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353027249 369989394 /nfs/dbraw/zinc/98/93/94/369989394.db2.gz MXLGPRHZVPFLOY-QWHCGFSZSA-N 2 1 276.371 2.422 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C/C=C/c3ccc(F)cc3)C[C@@H]2C1 ZINC000194535629 370049415 /nfs/dbraw/zinc/04/94/15/370049415.db2.gz BWGXELGEHCFJSE-WNUVYJMLSA-N 2 1 260.356 2.332 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C/C=C/c3ccc(F)cc3)C[C@@H]2C1 ZINC000194535629 370049419 /nfs/dbraw/zinc/04/94/19/370049419.db2.gz BWGXELGEHCFJSE-WNUVYJMLSA-N 2 1 260.356 2.332 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C/C=C/c3ccc(F)cc3)C[C@@H]2C1 ZINC000194535629 370049423 /nfs/dbraw/zinc/04/94/23/370049423.db2.gz BWGXELGEHCFJSE-WNUVYJMLSA-N 2 1 260.356 2.332 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C/C=C/c3ccc(F)cc3)C[C@@H]2C1 ZINC000194535629 370049427 /nfs/dbraw/zinc/04/94/27/370049427.db2.gz BWGXELGEHCFJSE-WNUVYJMLSA-N 2 1 260.356 2.332 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccccn2)CCC1 ZINC000353998154 370171148 /nfs/dbraw/zinc/17/11/48/370171148.db2.gz UQCJIYYZKOFXQU-HUUCEWRRSA-N 2 1 273.424 2.433 20 0 CEADMP Cc1cccc(NCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000353614753 370119105 /nfs/dbraw/zinc/11/91/05/370119105.db2.gz UIOKPHUXJFJBMV-ARFHVFGLSA-N 2 1 288.439 2.264 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000353624422 370119624 /nfs/dbraw/zinc/11/96/24/370119624.db2.gz QJNLMANQESLILO-XNRPHZJLSA-N 2 1 294.464 2.466 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC[N@H+]1C ZINC000637857924 370126146 /nfs/dbraw/zinc/12/61/46/370126146.db2.gz VEONGGGTOOZKKM-TUKIKUTGSA-N 2 1 275.396 2.375 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000353917062 370134447 /nfs/dbraw/zinc/13/44/47/370134447.db2.gz QUUNKTLOUCCBDL-LXTVHRRPSA-N 2 1 284.444 2.284 20 0 CEADMP Cn1cccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000354108444 370219499 /nfs/dbraw/zinc/21/94/99/370219499.db2.gz VUNPINLMCNDYHK-HNNXBMFYSA-N 2 1 261.413 2.189 20 0 CEADMP Cn1cccc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000354108444 370219504 /nfs/dbraw/zinc/21/95/04/370219504.db2.gz VUNPINLMCNDYHK-HNNXBMFYSA-N 2 1 261.413 2.189 20 0 CEADMP Cn1cccc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000354108444 370219507 /nfs/dbraw/zinc/21/95/07/370219507.db2.gz VUNPINLMCNDYHK-HNNXBMFYSA-N 2 1 261.413 2.189 20 0 CEADMP Cn1cccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000354108444 370219512 /nfs/dbraw/zinc/21/95/12/370219512.db2.gz VUNPINLMCNDYHK-HNNXBMFYSA-N 2 1 261.413 2.189 20 0 CEADMP COC[C@H]1CC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000354059632 370199078 /nfs/dbraw/zinc/19/90/78/370199078.db2.gz UZCOGSCHUCHRRT-LLVKDONJSA-N 2 1 263.366 2.155 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC000638122564 370318372 /nfs/dbraw/zinc/31/83/72/370318372.db2.gz KPDUDHGSWNNJJI-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000638076470 370282792 /nfs/dbraw/zinc/28/27/92/370282792.db2.gz QBXCWCDWHWFLLP-MRXNPFEDSA-N 2 1 297.487 2.329 20 0 CEADMP CC(C)CC[C@H]([NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000638127348 370321901 /nfs/dbraw/zinc/32/19/01/370321901.db2.gz VCCHTFDAUMDJMM-GJZGRUSLSA-N 2 1 283.460 2.083 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000354335234 370322045 /nfs/dbraw/zinc/32/20/45/370322045.db2.gz QUXBWSXXAGHBOK-BBWFWOEESA-N 2 1 298.471 2.018 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@](C)(OC)C2CC2)C1 ZINC000638128284 370323008 /nfs/dbraw/zinc/32/30/08/370323008.db2.gz SDJDASRIHUIFNW-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@](C)(OC)C2CC2)C1 ZINC000638128284 370323011 /nfs/dbraw/zinc/32/30/11/370323011.db2.gz SDJDASRIHUIFNW-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@](C)(OC)C2CC2)C1 ZINC000638128284 370323016 /nfs/dbraw/zinc/32/30/16/370323016.db2.gz SDJDASRIHUIFNW-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@](C)(CC)OC)[C@H](C)C1 ZINC000638114232 370310522 /nfs/dbraw/zinc/31/05/22/370310522.db2.gz TZCFBIWZVRGGHJ-ILXRZTDVSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@](C)(CC)OC)[C@H](C)C1 ZINC000638114232 370310526 /nfs/dbraw/zinc/31/05/26/370310526.db2.gz TZCFBIWZVRGGHJ-ILXRZTDVSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@](C)(CC)OC)[C@H](C)C1 ZINC000638114232 370310529 /nfs/dbraw/zinc/31/05/29/370310529.db2.gz TZCFBIWZVRGGHJ-ILXRZTDVSA-N 2 1 256.434 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)OC ZINC000638176055 370357608 /nfs/dbraw/zinc/35/76/08/370357608.db2.gz BTDBDKVPAXSQBS-JONQDZQNSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)OC ZINC000638176055 370357611 /nfs/dbraw/zinc/35/76/11/370357611.db2.gz BTDBDKVPAXSQBS-JONQDZQNSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)OC ZINC000638176055 370357616 /nfs/dbraw/zinc/35/76/16/370357616.db2.gz BTDBDKVPAXSQBS-JONQDZQNSA-N 2 1 268.445 2.464 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC1CCSCC1 ZINC000638184207 370362977 /nfs/dbraw/zinc/36/29/77/370362977.db2.gz XZCMOWSVMJXSTE-BZUAXINKSA-N 2 1 298.496 2.313 20 0 CEADMP CO[C@@](C)(C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C1CC1 ZINC000638131468 370325412 /nfs/dbraw/zinc/32/54/12/370325412.db2.gz CALJOFMGSMWOMH-WBVHZDCISA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@@](C)(C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CC1 ZINC000638131468 370325415 /nfs/dbraw/zinc/32/54/15/370325415.db2.gz CALJOFMGSMWOMH-WBVHZDCISA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@@](C)(C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CC1 ZINC000638131468 370325421 /nfs/dbraw/zinc/32/54/21/370325421.db2.gz CALJOFMGSMWOMH-WBVHZDCISA-N 2 1 280.456 2.465 20 0 CEADMP CCC[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)OC ZINC000638135421 370329444 /nfs/dbraw/zinc/32/94/44/370329444.db2.gz ULOJRZUJYDNIOJ-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)OC ZINC000638135421 370329449 /nfs/dbraw/zinc/32/94/49/370329449.db2.gz ULOJRZUJYDNIOJ-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)OC ZINC000638135421 370329453 /nfs/dbraw/zinc/32/94/53/370329453.db2.gz ULOJRZUJYDNIOJ-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+][C@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000226344953 370337034 /nfs/dbraw/zinc/33/70/34/370337034.db2.gz FMLLEGAADIVWLS-CVEARBPZSA-N 2 1 273.424 2.453 20 0 CEADMP CC(C)n1nccc1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000354514877 370394749 /nfs/dbraw/zinc/39/47/49/370394749.db2.gz SFQUPCYQPNPSFU-STQMWFEESA-N 2 1 250.390 2.036 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]21 ZINC000228477076 370403364 /nfs/dbraw/zinc/40/33/64/370403364.db2.gz RWHONAIXACREEY-QJPTWQEYSA-N 2 1 280.334 2.015 20 0 CEADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000228537310 370406558 /nfs/dbraw/zinc/40/65/58/370406558.db2.gz DNYXPHNCLKBQJK-CYZMBNFOSA-N 2 1 251.399 2.011 20 0 CEADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000228537310 370406561 /nfs/dbraw/zinc/40/65/61/370406561.db2.gz DNYXPHNCLKBQJK-CYZMBNFOSA-N 2 1 251.399 2.011 20 0 CEADMP COCc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228538721 370406770 /nfs/dbraw/zinc/40/67/70/370406770.db2.gz QPEBODVGYOPJDX-GVDBMIGSSA-N 2 1 274.408 2.392 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000229085839 370418884 /nfs/dbraw/zinc/41/88/84/370418884.db2.gz CMPWRRPSTQBCPX-FZMZJTMJSA-N 2 1 277.412 2.124 20 0 CEADMP COc1c(C)cnc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000229085839 370418887 /nfs/dbraw/zinc/41/88/87/370418887.db2.gz CMPWRRPSTQBCPX-FZMZJTMJSA-N 2 1 277.412 2.124 20 0 CEADMP COc1c(C)cnc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000229085839 370418890 /nfs/dbraw/zinc/41/88/90/370418890.db2.gz CMPWRRPSTQBCPX-FZMZJTMJSA-N 2 1 277.412 2.124 20 0 CEADMP CO[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)CC(C)C ZINC000638358805 370467804 /nfs/dbraw/zinc/46/78/04/370467804.db2.gz KLNCQSIQRKGJHM-DZGCQCFKSA-N 2 1 254.418 2.121 20 0 CEADMP CO[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000638359090 370469308 /nfs/dbraw/zinc/46/93/08/370469308.db2.gz MHRVKLXXGAQSIC-XJKSGUPXSA-N 2 1 266.429 2.266 20 0 CEADMP CO[C@H](C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCOC1 ZINC000638366637 370475578 /nfs/dbraw/zinc/47/55/78/370475578.db2.gz PXSKNNLFMSQFPY-YESZJQIVSA-N 2 1 298.471 2.282 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CCC[C@H]1CCO1 ZINC000638589043 370622873 /nfs/dbraw/zinc/62/28/73/370622873.db2.gz PUDCMFRFNPWAPL-CABCVRRESA-N 2 1 254.418 2.410 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CCC[C@H]1CCO1 ZINC000638589043 370622881 /nfs/dbraw/zinc/62/28/81/370622881.db2.gz PUDCMFRFNPWAPL-CABCVRRESA-N 2 1 254.418 2.410 20 0 CEADMP CO[C@H](C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCCC1 ZINC000638619390 370638099 /nfs/dbraw/zinc/63/80/99/370638099.db2.gz MFAUZRQKVIFOHU-DLBZAZTESA-N 2 1 298.471 2.018 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000638565675 370608067 /nfs/dbraw/zinc/60/80/67/370608067.db2.gz VZYGNXYFFLIWGS-KURKYZTESA-N 2 1 293.499 2.286 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCCc2cnn(C)c2)C1 ZINC000638566429 370609280 /nfs/dbraw/zinc/60/92/80/370609280.db2.gz IKWYCVMJHXXTST-OAHLLOKOSA-N 2 1 278.444 2.063 20 0 CEADMP CC[C@](C)(C[N@H+](C)CCCn1cc[nH+]c1C)OC ZINC000639175273 371048389 /nfs/dbraw/zinc/04/83/89/371048389.db2.gz KSODMMRJPARBEY-CQSZACIVSA-N 2 1 253.390 2.329 20 0 CEADMP CC[C@](C)(C[N@@H+](C)CCCn1cc[nH+]c1C)OC ZINC000639175273 371048394 /nfs/dbraw/zinc/04/83/94/371048394.db2.gz KSODMMRJPARBEY-CQSZACIVSA-N 2 1 253.390 2.329 20 0 CEADMP CC(C)n1ncnc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639176130 371050359 /nfs/dbraw/zinc/05/03/59/371050359.db2.gz CLWXUHNJHBPVCC-HNNXBMFYSA-N 2 1 291.443 2.023 20 0 CEADMP CC(C)n1ncnc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639176130 371050368 /nfs/dbraw/zinc/05/03/68/371050368.db2.gz CLWXUHNJHBPVCC-HNNXBMFYSA-N 2 1 291.443 2.023 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ncccc23)CC[N@H+]1C ZINC000358342048 371023514 /nfs/dbraw/zinc/02/35/14/371023514.db2.gz PFLOXKNPWLNMTB-OCCSQVGLSA-N 2 1 272.396 2.178 20 0 CEADMP c1[nH]c2ncccc2c1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358348689 371028096 /nfs/dbraw/zinc/02/80/96/371028096.db2.gz VZRWCPOEKDIOPE-GJZGRUSLSA-N 2 1 284.407 2.322 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000358405720 371052323 /nfs/dbraw/zinc/05/23/23/371052323.db2.gz QDCMUBOMEUDVCP-VYESFELBSA-N 2 1 292.427 2.334 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000358405720 371052328 /nfs/dbraw/zinc/05/23/28/371052328.db2.gz QDCMUBOMEUDVCP-VYESFELBSA-N 2 1 292.427 2.334 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCNc2cccc(C)n2)[C@H](C)C1 ZINC000358386842 371043973 /nfs/dbraw/zinc/04/39/73/371043973.db2.gz TWOSKZQVNNBCSW-UKRRQHHQSA-N 2 1 276.428 2.122 20 0 CEADMP CCC[C@H](C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21)OC ZINC000639177289 371055552 /nfs/dbraw/zinc/05/55/52/371055552.db2.gz CFOXIKUQOXMMMK-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@H](C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21)OC ZINC000639177289 371055554 /nfs/dbraw/zinc/05/55/54/371055554.db2.gz CFOXIKUQOXMMMK-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@H](C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)OC ZINC000639177289 371055557 /nfs/dbraw/zinc/05/55/57/371055557.db2.gz CFOXIKUQOXMMMK-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)sn1 ZINC000639178165 371058070 /nfs/dbraw/zinc/05/80/70/371058070.db2.gz IXAXJRDXVHHMPN-TZMCWYRMSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)sn1 ZINC000639178165 371058074 /nfs/dbraw/zinc/05/80/74/371058074.db2.gz IXAXJRDXVHHMPN-TZMCWYRMSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)sn1 ZINC000639178165 371058078 /nfs/dbraw/zinc/05/80/78/371058078.db2.gz IXAXJRDXVHHMPN-TZMCWYRMSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)sn1 ZINC000639178165 371058079 /nfs/dbraw/zinc/05/80/79/371058079.db2.gz IXAXJRDXVHHMPN-TZMCWYRMSA-N 2 1 265.426 2.368 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000247085420 371061976 /nfs/dbraw/zinc/06/19/76/371061976.db2.gz RFBHKLRBKFTPRL-XHSDSOJGSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCOCCC(C)C)[C@@H](C)C1 ZINC000247109173 371066633 /nfs/dbraw/zinc/06/66/33/371066633.db2.gz SXKSPLKNSRHPRO-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)c2cnn(C)c2)C1 ZINC000247251120 371083786 /nfs/dbraw/zinc/08/37/86/371083786.db2.gz ZSRWKXVSZVZWFA-UKRRQHHQSA-N 2 1 264.417 2.193 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2cnn(C)c2)C1 ZINC000247251120 371083793 /nfs/dbraw/zinc/08/37/93/371083793.db2.gz ZSRWKXVSZVZWFA-UKRRQHHQSA-N 2 1 264.417 2.193 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)C(C)C ZINC000358500148 371093625 /nfs/dbraw/zinc/09/36/25/371093625.db2.gz PCUCFVJQCZUVIU-OAHLLOKOSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N(C)C)[C@H](C)C1 ZINC000248067901 371158359 /nfs/dbraw/zinc/15/83/59/371158359.db2.gz ZYOFEEAWCVQXNO-QLFBSQMISA-N 2 1 279.428 2.202 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N(C)C)[C@H](C)C1 ZINC000248067901 371158362 /nfs/dbraw/zinc/15/83/62/371158362.db2.gz ZYOFEEAWCVQXNO-QLFBSQMISA-N 2 1 279.428 2.202 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C1(C)C ZINC000344026014 217014136 /nfs/dbraw/zinc/01/41/36/217014136.db2.gz SSKWXQPJEMGROI-BFHYXJOUSA-N 2 1 254.418 2.120 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)CCc2ccccc2)CCN1C ZINC000248541509 371208274 /nfs/dbraw/zinc/20/82/74/371208274.db2.gz BPZIBBYHYMRGJO-NJAFHUGGSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)CCc2ccccc2)CC[N@@H+]1C ZINC000248541509 371208277 /nfs/dbraw/zinc/20/82/77/371208277.db2.gz BPZIBBYHYMRGJO-NJAFHUGGSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)CCc2ccccc2)CC[N@H+]1C ZINC000248541509 371208282 /nfs/dbraw/zinc/20/82/82/371208282.db2.gz BPZIBBYHYMRGJO-NJAFHUGGSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)CCc2ccccc2)CC[NH+]1C ZINC000248541509 371208285 /nfs/dbraw/zinc/20/82/85/371208285.db2.gz BPZIBBYHYMRGJO-NJAFHUGGSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)CCc2ccccc2)CC[NH+]1C ZINC000248541509 371208288 /nfs/dbraw/zinc/20/82/88/371208288.db2.gz BPZIBBYHYMRGJO-NJAFHUGGSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248570858 371214899 /nfs/dbraw/zinc/21/48/99/371214899.db2.gz QWDPVOHGFIYMGH-ZACQAIPSSA-N 2 1 279.472 2.467 20 0 CEADMP CO[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CC(C)C ZINC000639347093 371259415 /nfs/dbraw/zinc/25/94/15/371259415.db2.gz MQQCTLAWHGYWFC-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP C1=CO[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000248758616 371242946 /nfs/dbraw/zinc/24/29/46/371242946.db2.gz DATMNGJQTFHAJF-LSDHHAIUSA-N 2 1 250.386 2.097 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248763015 371243427 /nfs/dbraw/zinc/24/34/27/371243427.db2.gz DVVIEKCCAXGKPX-QQOZWVEPSA-N 2 1 265.445 2.074 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248763015 371243433 /nfs/dbraw/zinc/24/34/33/371243433.db2.gz DVVIEKCCAXGKPX-QQOZWVEPSA-N 3 1 265.445 2.074 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248763015 371243441 /nfs/dbraw/zinc/24/34/41/371243441.db2.gz DVVIEKCCAXGKPX-QQOZWVEPSA-N 3 1 265.445 2.074 20 0 CEADMP COc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)n1 ZINC000358968921 371285812 /nfs/dbraw/zinc/28/58/12/371285812.db2.gz ANGJZQBGSWILJY-CABCVRRESA-N 2 1 289.423 2.423 20 0 CEADMP COc1cc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)n1 ZINC000358968921 371285816 /nfs/dbraw/zinc/28/58/16/371285816.db2.gz ANGJZQBGSWILJY-CABCVRRESA-N 2 1 289.423 2.423 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CSC1 ZINC000639360331 371272334 /nfs/dbraw/zinc/27/23/34/371272334.db2.gz VLZJLPJRVQBXEJ-HIFRSBDPSA-N 2 1 276.449 2.460 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](C)[NH+](CC)CC)C1(C(=O)OC)CCC1 ZINC000359026757 371308167 /nfs/dbraw/zinc/30/81/67/371308167.db2.gz FELVTSRMIOFSIY-UONOGXRCSA-N 2 1 284.444 2.428 20 0 CEADMP CO[C@H]1CC[N@H+](CCCC2CCCC2)[C@@H](C[NH3+])C1 ZINC000359047001 371316794 /nfs/dbraw/zinc/31/67/94/371316794.db2.gz SZDLNISFJPYMJJ-CABCVRRESA-N 2 1 254.418 2.395 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCC2CCCC2)[C@@H](C[NH3+])C1 ZINC000359047001 371316798 /nfs/dbraw/zinc/31/67/98/371316798.db2.gz SZDLNISFJPYMJJ-CABCVRRESA-N 2 1 254.418 2.395 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000639544202 371396014 /nfs/dbraw/zinc/39/60/14/371396014.db2.gz WILWHAPUMJLYER-HWMZRRJGSA-N 2 1 278.440 2.360 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000639544202 371396019 /nfs/dbraw/zinc/39/60/19/371396019.db2.gz WILWHAPUMJLYER-HWMZRRJGSA-N 2 1 278.440 2.360 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000639544202 371396021 /nfs/dbraw/zinc/39/60/21/371396021.db2.gz WILWHAPUMJLYER-HWMZRRJGSA-N 2 1 278.440 2.360 20 0 CEADMP CCc1nccn1[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359194258 371371306 /nfs/dbraw/zinc/37/13/06/371371306.db2.gz RRSXNHNKUTXYJC-INIZCTEOSA-N 2 1 290.455 2.472 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)[C@H](C)C1 ZINC000249962421 371371612 /nfs/dbraw/zinc/37/16/12/371371612.db2.gz JUTLWWVRMRUURY-MCIONIFRSA-N 2 1 254.418 2.264 20 0 CEADMP c1ccc(NC[C@@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)nc1 ZINC000359225416 371385254 /nfs/dbraw/zinc/38/52/54/371385254.db2.gz TWMBMNNCLCTRTL-INIZCTEOSA-N 2 1 288.439 2.205 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000250498350 371385517 /nfs/dbraw/zinc/38/55/17/371385517.db2.gz JYESITPEYQATNY-KBPBESRZSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC000252187931 371435211 /nfs/dbraw/zinc/43/52/11/371435211.db2.gz UOPKQQQVZOVUEJ-MLQJFRMTSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000252187931 371435216 /nfs/dbraw/zinc/43/52/16/371435216.db2.gz UOPKQQQVZOVUEJ-MLQJFRMTSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539047 371454836 /nfs/dbraw/zinc/45/48/36/371454836.db2.gz BCWCDAYGSWCXIX-BPQIPLTHSA-N 2 1 288.435 2.461 20 0 CEADMP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539047 371454843 /nfs/dbraw/zinc/45/48/43/371454843.db2.gz BCWCDAYGSWCXIX-BPQIPLTHSA-N 2 1 288.435 2.461 20 0 CEADMP COCCCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682014 371491933 /nfs/dbraw/zinc/49/19/33/371491933.db2.gz DVJUQGFVGNJZOO-UHFFFAOYSA-N 2 1 277.412 2.410 20 0 CEADMP C(N1CCC12CCC2)C1(C[N@H+]2CCC23CCC3)COC1 ZINC000360027304 371500496 /nfs/dbraw/zinc/50/04/96/371500496.db2.gz HIQLVORUSLDNRR-UHFFFAOYSA-N 2 1 276.424 2.260 20 0 CEADMP C([NH+]1CCC12CCC2)C1(C[N@@H+]2CCC23CCC3)COC1 ZINC000360027304 371500500 /nfs/dbraw/zinc/50/05/00/371500500.db2.gz HIQLVORUSLDNRR-UHFFFAOYSA-N 2 1 276.424 2.260 20 0 CEADMP C([NH+]1CCC12CCC2)C1(C[N@H+]2CCC23CCC3)COC1 ZINC000360027304 371500505 /nfs/dbraw/zinc/50/05/05/371500505.db2.gz HIQLVORUSLDNRR-UHFFFAOYSA-N 2 1 276.424 2.260 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)nc1 ZINC000639757327 371546668 /nfs/dbraw/zinc/54/66/68/371546668.db2.gz GDHKOGIJJCWUHF-UHFFFAOYSA-N 2 1 289.423 2.398 20 0 CEADMP c1cc(N2CCC[N@H+](CCC[C@H]3CCOC3)CC2)cc[nH+]1 ZINC000639683928 371493195 /nfs/dbraw/zinc/49/31/95/371493195.db2.gz OKVXUBWSPLSMBX-INIZCTEOSA-N 2 1 289.423 2.410 20 0 CEADMP c1cc(N2CCC[N@H+](CCOCC3CC3)CC2)cc[nH+]1 ZINC000639683434 371493340 /nfs/dbraw/zinc/49/33/40/371493340.db2.gz YZOCQSOONURFGP-UHFFFAOYSA-N 2 1 275.396 2.020 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(OC)C2CC2)[C@H](C)C1 ZINC000361006019 371594304 /nfs/dbraw/zinc/59/43/04/371594304.db2.gz ZHUKGENPWTWQRL-VHDGCEQUSA-N 2 1 254.418 2.121 20 0 CEADMP c1cn([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)CC2)nn1 ZINC000639818493 371595235 /nfs/dbraw/zinc/59/52/35/371595235.db2.gz QWMLSZCHRAKIDJ-MRXNPFEDSA-N 2 1 291.443 2.181 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1OC ZINC000261590038 371667076 /nfs/dbraw/zinc/66/70/76/371667076.db2.gz WQWVQMCWSMSFNT-AXFHLTTASA-N 2 1 252.358 2.090 20 0 CEADMP CCc1cnccc1[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000361132456 371669485 /nfs/dbraw/zinc/66/94/85/371669485.db2.gz PRDXLWJJCUJLHH-LBPRGKRZSA-N 2 1 258.369 2.500 20 0 CEADMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000261596650 371670697 /nfs/dbraw/zinc/67/06/97/371670697.db2.gz LXAFZDSIELDGBK-CABCVRRESA-N 2 1 290.407 2.148 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc(C2CC2)c1 ZINC000261605731 371675770 /nfs/dbraw/zinc/67/57/70/371675770.db2.gz CWQIULQMNHFZJZ-GOSISDBHSA-N 2 1 285.435 2.044 20 0 CEADMP C[C@H](NC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261541741 371639766 /nfs/dbraw/zinc/63/97/66/371639766.db2.gz GEKJRWDWEXRRQV-DOTOQJQBSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261541741 371639769 /nfs/dbraw/zinc/63/97/69/371639769.db2.gz GEKJRWDWEXRRQV-DOTOQJQBSA-N 3 1 287.451 2.239 20 0 CEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261541741 371639771 /nfs/dbraw/zinc/63/97/71/371639771.db2.gz GEKJRWDWEXRRQV-DOTOQJQBSA-N 3 1 287.451 2.239 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000261559536 371647370 /nfs/dbraw/zinc/64/73/70/371647370.db2.gz VJSJLFVMKXJNJD-CYBMUJFWSA-N 2 1 255.365 2.406 20 0 CEADMP C[N@@H+](CCNC(=O)CC[C@H]1CCCC[NH+]1C)C1CCCC1 ZINC000353325112 220027378 /nfs/dbraw/zinc/02/73/78/220027378.db2.gz IHFSXVSFEFYUPX-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CCNC(=O)CC[C@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC000353325112 220027382 /nfs/dbraw/zinc/02/73/82/220027382.db2.gz IHFSXVSFEFYUPX-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CCNC(=O)CC[C@H]1CCCC[N@H+]1C)C1CCCC1 ZINC000353325112 220027385 /nfs/dbraw/zinc/02/73/85/220027385.db2.gz IHFSXVSFEFYUPX-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC2(CCSCC2)CC1)C1CC1 ZINC000639982899 371711113 /nfs/dbraw/zinc/71/11/13/371711113.db2.gz KXSDVDCONUFEPG-HNNXBMFYSA-N 2 1 298.496 2.051 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC2(CCSCC2)CC1)C1CC1 ZINC000639982899 371711117 /nfs/dbraw/zinc/71/11/17/371711117.db2.gz KXSDVDCONUFEPG-HNNXBMFYSA-N 2 1 298.496 2.051 20 0 CEADMP C[C@@H](O)CCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984511 371712722 /nfs/dbraw/zinc/71/27/22/371712722.db2.gz WWHKSCGZRXMINA-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP Cc1nc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2s1 ZINC000261778061 371728720 /nfs/dbraw/zinc/72/87/20/371728720.db2.gz FFCOBWKDUCNRLR-BETUJISGSA-N 2 1 273.405 2.256 20 0 CEADMP Cc1nc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2s1 ZINC000261778061 371728727 /nfs/dbraw/zinc/72/87/27/371728727.db2.gz FFCOBWKDUCNRLR-BETUJISGSA-N 2 1 273.405 2.256 20 0 CEADMP C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)CC1CC[NH2+]CC1 ZINC000261813388 371740397 /nfs/dbraw/zinc/74/03/97/371740397.db2.gz HVOYRIMRNLQUMG-UHFFFAOYSA-N 2 1 264.417 2.139 20 0 CEADMP FC(F)Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261641981 371688819 /nfs/dbraw/zinc/68/88/19/371688819.db2.gz CKPNGZTZRQRXKR-TZMCWYRMSA-N 2 1 282.334 2.472 20 0 CEADMP FC(F)Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261641981 371688823 /nfs/dbraw/zinc/68/88/23/371688823.db2.gz CKPNGZTZRQRXKR-TZMCWYRMSA-N 2 1 282.334 2.472 20 0 CEADMP COCC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CC[C@H](C)C1 ZINC000261930755 371774604 /nfs/dbraw/zinc/77/46/04/371774604.db2.gz LOHJTMOVWPEXSA-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccnn3-c3ccccc3)C[C@@H]21 ZINC000261975188 371788304 /nfs/dbraw/zinc/78/83/04/371788304.db2.gz QSICHJJMMNMXIE-JCGIZDLHSA-N 2 1 296.418 2.432 20 0 CEADMP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000262139624 371829567 /nfs/dbraw/zinc/82/95/67/371829567.db2.gz ZAJZRASWLMBWOX-GOSISDBHSA-N 2 1 296.418 2.273 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000262139624 371829568 /nfs/dbraw/zinc/82/95/68/371829568.db2.gz ZAJZRASWLMBWOX-GOSISDBHSA-N 2 1 296.418 2.273 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000361409638 371832157 /nfs/dbraw/zinc/83/21/57/371832157.db2.gz WYSFNZHIMCVSNK-CQSZACIVSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000361409638 371832166 /nfs/dbraw/zinc/83/21/66/371832166.db2.gz WYSFNZHIMCVSNK-CQSZACIVSA-N 2 1 251.374 2.081 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000640102996 371815461 /nfs/dbraw/zinc/81/54/61/371815461.db2.gz VEFNDJOLCHNBNT-UGUYLWEFSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000640102996 371815464 /nfs/dbraw/zinc/81/54/64/371815464.db2.gz VEFNDJOLCHNBNT-UGUYLWEFSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000640102996 371815468 /nfs/dbraw/zinc/81/54/68/371815468.db2.gz VEFNDJOLCHNBNT-UGUYLWEFSA-N 2 1 266.429 2.096 20 0 CEADMP COCC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CC[C@H](C)C1 ZINC000262072920 371817792 /nfs/dbraw/zinc/81/77/92/371817792.db2.gz SFYUPTYDOFUXHK-SOUVJXGZSA-N 2 1 254.418 2.123 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(-c4ccccc4)no3)C[C@H]21 ZINC000262295934 371847467 /nfs/dbraw/zinc/84/74/67/371847467.db2.gz NWJYYLJHJXAWKO-RBSFLKMASA-N 2 1 298.390 2.296 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4ccccc4)no3)C[C@H]21 ZINC000262295934 371847474 /nfs/dbraw/zinc/84/74/74/371847474.db2.gz NWJYYLJHJXAWKO-RBSFLKMASA-N 2 1 298.390 2.296 20 0 CEADMP CSc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1 ZINC000361465828 371860840 /nfs/dbraw/zinc/86/08/40/371860840.db2.gz XNVODTRNHBOPQZ-UHFFFAOYSA-N 2 1 294.464 2.345 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000262714512 371900836 /nfs/dbraw/zinc/90/08/36/371900836.db2.gz TXLJXGFWKQYPMC-HLLBOEOZSA-N 2 1 297.487 2.378 20 0 CEADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])C1CCCCC1 ZINC000262998557 371927509 /nfs/dbraw/zinc/92/75/09/371927509.db2.gz OLEZSGPWSUABBB-DOTOQJQBSA-N 2 1 295.471 2.275 20 0 CEADMP C[NH+]1CCC[C@H]2CN(CC[C@H]3CCCC[N@@H+]3C)CC[C@@H]21 ZINC000361685070 372022799 /nfs/dbraw/zinc/02/27/99/372022799.db2.gz BZFLYNAOEPDRNU-BBWFWOEESA-N 2 1 279.472 2.277 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000361685070 372022804 /nfs/dbraw/zinc/02/28/04/372022804.db2.gz BZFLYNAOEPDRNU-BBWFWOEESA-N 2 1 279.472 2.277 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361685070 372022814 /nfs/dbraw/zinc/02/28/14/372022814.db2.gz BZFLYNAOEPDRNU-BBWFWOEESA-N 2 1 279.472 2.277 20 0 CEADMP COC1CC[NH+](C2(C[NH2+]C(C)C)CCCC2)CC1 ZINC000344174490 217084737 /nfs/dbraw/zinc/08/47/37/217084737.db2.gz RGSSOCQPGGHNCI-UHFFFAOYSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000361929681 372134454 /nfs/dbraw/zinc/13/44/54/372134454.db2.gz ZEEOEZURISDLJZ-LSDHHAIUSA-N 2 1 268.445 2.249 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000361955505 372144213 /nfs/dbraw/zinc/14/42/13/372144213.db2.gz QRGGHZKEMIXYGR-MRXNPFEDSA-N 2 1 287.411 2.333 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000361955505 372144220 /nfs/dbraw/zinc/14/42/20/372144220.db2.gz QRGGHZKEMIXYGR-MRXNPFEDSA-N 2 1 287.411 2.333 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000361955505 372144222 /nfs/dbraw/zinc/14/42/22/372144222.db2.gz QRGGHZKEMIXYGR-MRXNPFEDSA-N 2 1 287.411 2.333 20 0 CEADMP c1cn2c(cccc2CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000362039161 372180906 /nfs/dbraw/zinc/18/09/06/372180906.db2.gz MTVIBMWIKHANPS-HYVNUMGLSA-N 2 1 296.418 2.250 20 0 CEADMP CCC[C@]1(CO)CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000344278234 217129920 /nfs/dbraw/zinc/12/99/20/217129920.db2.gz FRCHFBKHKDNMBZ-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP CCC[C@]1(CO)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000344278234 217129921 /nfs/dbraw/zinc/12/99/21/217129921.db2.gz FRCHFBKHKDNMBZ-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP CCC[C@]1(CO)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000344278234 217129925 /nfs/dbraw/zinc/12/99/25/217129925.db2.gz FRCHFBKHKDNMBZ-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP COc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000268786165 372222556 /nfs/dbraw/zinc/22/25/56/372222556.db2.gz ZYYDSKGBLWESBN-DLTLXFJOSA-N 2 1 292.423 2.047 20 0 CEADMP CC[C@@H](NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(F)cc1F ZINC000268936246 372294896 /nfs/dbraw/zinc/29/48/96/372294896.db2.gz RSQPDCDNBQQKLM-XJKSGUPXSA-N 2 1 297.393 2.251 20 0 CEADMP Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1C ZINC000268836394 372248528 /nfs/dbraw/zinc/24/85/28/372248528.db2.gz LXYJOSIVJBTNNF-JKSUJKDBSA-N 2 1 276.424 2.411 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000268847788 372253585 /nfs/dbraw/zinc/25/35/85/372253585.db2.gz PBCBLOAIXFTSDB-FRFSOERESA-N 2 1 294.414 2.049 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000268884062 372271846 /nfs/dbraw/zinc/27/18/46/372271846.db2.gz MIDJCWGRVWASSI-TXCZRRACSA-N 2 1 276.424 2.212 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000269128737 372351025 /nfs/dbraw/zinc/35/10/25/372351025.db2.gz HQEXVILEGCLGMZ-UHFFFAOYSA-N 2 1 287.363 2.442 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000269128737 372351031 /nfs/dbraw/zinc/35/10/31/372351031.db2.gz HQEXVILEGCLGMZ-UHFFFAOYSA-N 2 1 287.363 2.442 20 0 CEADMP CC(C)[C@H]([NH3+])c1cn(C[C@H]2CCCC[N@H+]2C(C)C)nn1 ZINC000641167088 372362375 /nfs/dbraw/zinc/36/23/75/372362375.db2.gz BACYJQWOOVDEOD-HIFRSBDPSA-N 2 1 279.432 2.197 20 0 CEADMP CC[C@@](C)([NH3+])c1cn(C[C@H]2CCCC[N@H+]2C(C)C)nn1 ZINC000641169897 372364169 /nfs/dbraw/zinc/36/41/69/372364169.db2.gz SHAAZBUJGAQWNB-UKRRQHHQSA-N 2 1 279.432 2.125 20 0 CEADMP CC(C)[NH+](CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000344396710 217180656 /nfs/dbraw/zinc/18/06/56/217180656.db2.gz XJBKCGRQFURWIM-GASCZTMLSA-N 2 1 283.460 2.094 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000362975409 372600132 /nfs/dbraw/zinc/60/01/32/372600132.db2.gz FOLJRPYRLBAAQH-XGUBFFRZSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)(C)OCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414437 372636118 /nfs/dbraw/zinc/63/61/18/372636118.db2.gz NGUCVWHTTVWCOA-QLFBSQMISA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)(C)OCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414437 372636123 /nfs/dbraw/zinc/63/61/23/372636123.db2.gz NGUCVWHTTVWCOA-QLFBSQMISA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)(C)OCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414437 372636130 /nfs/dbraw/zinc/63/61/30/372636130.db2.gz NGUCVWHTTVWCOA-QLFBSQMISA-N 2 1 266.429 2.218 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000641798728 372740261 /nfs/dbraw/zinc/74/02/61/372740261.db2.gz HRMGZFYAZHSXKZ-AAEUAGOBSA-N 2 1 265.401 2.352 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000641798728 372740265 /nfs/dbraw/zinc/74/02/65/372740265.db2.gz HRMGZFYAZHSXKZ-AAEUAGOBSA-N 2 1 265.401 2.352 20 0 CEADMP CC(C)c1ccccc1NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641804404 372749565 /nfs/dbraw/zinc/74/95/65/372749565.db2.gz IJISFZQHHNJEAN-LSDHHAIUSA-N 2 1 289.423 2.464 20 0 CEADMP CC(C)N(C(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641804418 372750295 /nfs/dbraw/zinc/75/02/95/372750295.db2.gz IOPYZRBVHONISC-CABCVRRESA-N 2 1 289.423 2.143 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)o1 ZINC000641796655 372736240 /nfs/dbraw/zinc/73/62/40/372736240.db2.gz GMNBXIFJOKBZKG-PWSUYJOCSA-N 2 1 251.374 2.105 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)o1 ZINC000641796655 372736247 /nfs/dbraw/zinc/73/62/47/372736247.db2.gz GMNBXIFJOKBZKG-PWSUYJOCSA-N 2 1 251.374 2.105 20 0 CEADMP [NH3+]C1(c2noc([C@@H]3CCn4c[nH+]cc4C3)n2)CCCCC1 ZINC000333239544 205144541 /nfs/dbraw/zinc/14/45/41/205144541.db2.gz APRZFZJOESGGOO-LLVKDONJSA-N 2 1 287.367 2.114 20 0 CEADMP Cn1ccnc1CN1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000270554126 372842024 /nfs/dbraw/zinc/84/20/24/372842024.db2.gz PUKHLGVDZRJCSE-HNNXBMFYSA-N 2 1 282.391 2.405 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cs1 ZINC000353455042 220092473 /nfs/dbraw/zinc/09/24/73/220092473.db2.gz NRPUSCJWPZQDLX-ZNMIVQPWSA-N 2 1 279.453 2.456 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2cccnc2)CC[N@H+]1C ZINC000344639951 217258739 /nfs/dbraw/zinc/25/87/39/217258739.db2.gz ZEIIGLXJNRHMNX-BBRMVZONSA-N 2 1 299.422 2.054 20 0 CEADMP c1cc2[nH+]ccc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)c2s1 ZINC000643031368 372923089 /nfs/dbraw/zinc/92/30/89/372923089.db2.gz NYKPCKUPZQSVMK-CMPLNLGQSA-N 2 1 259.378 2.485 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000353504985 220122891 /nfs/dbraw/zinc/12/28/91/220122891.db2.gz WEAITISZTQWBAX-DOTOQJQBSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H](C(F)(F)F)O1 ZINC000643058121 372939115 /nfs/dbraw/zinc/93/91/15/372939115.db2.gz DGILGALSUXXHFZ-GRYCIOLGSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H](C(F)(F)F)O1 ZINC000643058121 372939122 /nfs/dbraw/zinc/93/91/22/372939122.db2.gz DGILGALSUXXHFZ-GRYCIOLGSA-N 2 1 280.334 2.028 20 0 CEADMP COc1cc(C[N@H+](C)CCn2cc[nH+]c2C)ccc1O ZINC000270830947 372972278 /nfs/dbraw/zinc/97/22/78/372972278.db2.gz CTUKBUWKVFIYOK-UHFFFAOYSA-N 2 1 275.352 2.038 20 0 CEADMP COc1cc(C[N@@H+](C)CCn2cc[nH+]c2C)ccc1O ZINC000270830947 372972282 /nfs/dbraw/zinc/97/22/82/372972282.db2.gz CTUKBUWKVFIYOK-UHFFFAOYSA-N 2 1 275.352 2.038 20 0 CEADMP CCc1nocc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000353521565 220135458 /nfs/dbraw/zinc/13/54/58/220135458.db2.gz QDIDTUGNJWERNL-AWEZNQCLSA-N 2 1 277.412 2.401 20 0 CEADMP CO[C@]1(C)CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000366459732 373058020 /nfs/dbraw/zinc/05/80/20/373058020.db2.gz MOYYZUCDJKTXPQ-OAHLLOKOSA-N 2 1 254.418 2.363 20 0 CEADMP COc1ccc2[nH]cc(CC[NH2+][C@H]3C[NH2+]CC[C@H]3C)c2c1 ZINC000643453935 373123696 /nfs/dbraw/zinc/12/36/96/373123696.db2.gz MSEAPYXTABEMEP-PXAZEXFGSA-N 2 1 287.407 2.307 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1c[nH+]ccc1N ZINC000643453734 373123838 /nfs/dbraw/zinc/12/38/38/373123838.db2.gz WAIVESHTKIWVNB-AAEUAGOBSA-N 2 1 253.349 2.485 20 0 CEADMP CC(C)C[C@@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000353562314 220159915 /nfs/dbraw/zinc/15/99/15/220159915.db2.gz MSAZGEMVIGTGMT-OAHLLOKOSA-N 2 1 283.460 2.083 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccccc1Cl ZINC000643467550 373136363 /nfs/dbraw/zinc/13/63/63/373136363.db2.gz UDISTMNUZLMODW-HZSPNIEDSA-N 2 1 268.788 2.497 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000643478077 373145716 /nfs/dbraw/zinc/14/57/16/373145716.db2.gz WAZUGUOGYSODFO-CPUCHLNUSA-N 2 1 258.409 2.379 20 0 CEADMP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cn1 ZINC000643523044 373177735 /nfs/dbraw/zinc/17/77/35/373177735.db2.gz VWSCECFPVIZDHT-CHWSQXEVSA-N 2 1 251.349 2.404 20 0 CEADMP C[C@@H]([NH3+])CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000643527828 373184917 /nfs/dbraw/zinc/18/49/17/373184917.db2.gz TZKVXWODQJNBDP-DZUCGIPZSA-N 2 1 273.424 2.119 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cn[nH]c1 ZINC000643544956 373202739 /nfs/dbraw/zinc/20/27/39/373202739.db2.gz YJRBIZFNASVICE-GUBHDUGWSA-N 2 1 274.412 2.214 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344952381 217366224 /nfs/dbraw/zinc/36/62/24/217366224.db2.gz SFZFMCALQRHZEI-XHSDSOJGSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344952381 217366226 /nfs/dbraw/zinc/36/62/26/217366226.db2.gz SFZFMCALQRHZEI-XHSDSOJGSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344952381 217366228 /nfs/dbraw/zinc/36/62/28/217366228.db2.gz SFZFMCALQRHZEI-XHSDSOJGSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(CO)cc2)CC1 ZINC000272327925 373432804 /nfs/dbraw/zinc/43/28/04/373432804.db2.gz LZJMLOYFYVYVFS-UHFFFAOYSA-N 2 1 276.424 2.484 20 0 CEADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3COCCOC3)CC2)C1 ZINC000644551772 373526479 /nfs/dbraw/zinc/52/64/79/373526479.db2.gz AFJUKBSTKLSFHD-YOEHRIQHSA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@@H]1C[C@H]1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644658823 373588801 /nfs/dbraw/zinc/58/88/01/373588801.db2.gz BCOUQBVSZRZXOR-IKGGRYGDSA-N 2 1 276.424 2.115 20 0 CEADMP CC[C@@H]1C[C@H]1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644658823 373588808 /nfs/dbraw/zinc/58/88/08/373588808.db2.gz BCOUQBVSZRZXOR-IKGGRYGDSA-N 2 1 276.424 2.115 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccccc21)C1CC1 ZINC000644602538 373553885 /nfs/dbraw/zinc/55/38/85/373553885.db2.gz DCRJKEUHFMAYQP-WMLDXEAASA-N 2 1 288.435 2.454 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccccc21)C1CC1 ZINC000644602538 373553894 /nfs/dbraw/zinc/55/38/94/373553894.db2.gz DCRJKEUHFMAYQP-WMLDXEAASA-N 2 1 288.435 2.454 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC(C)(C)c2ccccc21)C1CC1 ZINC000644602532 373554419 /nfs/dbraw/zinc/55/44/19/373554419.db2.gz DCRJKEUHFMAYQP-PBHICJAKSA-N 2 1 288.435 2.454 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC(C)(C)c2ccccc21)C1CC1 ZINC000644602532 373554426 /nfs/dbraw/zinc/55/44/26/373554426.db2.gz DCRJKEUHFMAYQP-PBHICJAKSA-N 2 1 288.435 2.454 20 0 CEADMP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000644618564 373564107 /nfs/dbraw/zinc/56/41/07/373564107.db2.gz UOTSGLBCZRTFBS-CQSZACIVSA-N 2 1 287.407 2.255 20 0 CEADMP CC(C)[NH2+]CCN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370305721 373629804 /nfs/dbraw/zinc/62/98/04/373629804.db2.gz NPEKKDGWKVDETG-OAHLLOKOSA-N 2 1 290.455 2.397 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CCCOC(C)(C)C)C2)C1 ZINC000644784210 373681735 /nfs/dbraw/zinc/68/17/35/373681735.db2.gz KPPKXARVZKQVFV-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CCCOC(C)(C)C)C2)C1 ZINC000644784210 373681739 /nfs/dbraw/zinc/68/17/39/373681739.db2.gz KPPKXARVZKQVFV-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCOC(C)(C)C)C2)C1 ZINC000644784210 373681749 /nfs/dbraw/zinc/68/17/49/373681749.db2.gz KPPKXARVZKQVFV-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)n1 ZINC000370746920 373737636 /nfs/dbraw/zinc/73/76/36/373737636.db2.gz JPMQVJOOCKPSSZ-DZGCQCFKSA-N 2 1 299.422 2.138 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000370746920 373737645 /nfs/dbraw/zinc/73/76/45/373737645.db2.gz JPMQVJOOCKPSSZ-DZGCQCFKSA-N 2 1 299.422 2.138 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCn1ccnc1)CC2)C1CC1 ZINC000371320967 373841382 /nfs/dbraw/zinc/84/13/82/373841382.db2.gz LMNGWBSDWQDKOU-HNNXBMFYSA-N 3 1 288.439 2.079 20 0 CEADMP COC1(CC[N@H+]2CCC[C@@H](n3ccnc3)C2)CCC1 ZINC000645083392 373842812 /nfs/dbraw/zinc/84/28/12/373842812.db2.gz VPZOFGUFIXBFMS-CQSZACIVSA-N 2 1 263.385 2.479 20 0 CEADMP C[NH+]1CCC2(CC1)CN(c1cc[nH+]cc1Cl)CCO2 ZINC000645385337 374020987 /nfs/dbraw/zinc/02/09/87/374020987.db2.gz IWLFQEWUOSUDGJ-UHFFFAOYSA-N 2 1 281.787 2.036 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000274801859 374055316 /nfs/dbraw/zinc/05/53/16/374055316.db2.gz ORFJJKRLHUTKBU-CYBMUJFWSA-N 2 1 289.423 2.025 20 0 CEADMP CC[NH+](CC)CCCN1CCC(c2nc(C)n[nH]2)CC1 ZINC000372811963 374203301 /nfs/dbraw/zinc/20/33/01/374203301.db2.gz MSTDLOHSUFKJNJ-UHFFFAOYSA-N 2 1 279.432 2.024 20 0 CEADMP CC[NH+](CC)CCCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000372810023 374203908 /nfs/dbraw/zinc/20/39/08/374203908.db2.gz MJSOECXKBYMOIR-IKGGRYGDSA-N 3 1 279.472 2.134 20 0 CEADMP C[N@@H+]1CC[C@@H](C[NH2+]C[C@H]2CCC=CO2)[C@@H]1c1cccnc1 ZINC000373210487 374294680 /nfs/dbraw/zinc/29/46/80/374294680.db2.gz ZSAPFZSRNVKXSC-BBWFWOEESA-N 2 1 287.407 2.357 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCC=CO2)[C@@H]1c1cccnc1 ZINC000373210487 374294685 /nfs/dbraw/zinc/29/46/85/374294685.db2.gz ZSAPFZSRNVKXSC-BBWFWOEESA-N 2 1 287.407 2.357 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000277114508 374408741 /nfs/dbraw/zinc/40/87/41/374408741.db2.gz HIQOZLLKTAMNMO-HZPDHXFCSA-N 2 1 280.387 2.275 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000277114508 374408748 /nfs/dbraw/zinc/40/87/48/374408748.db2.gz HIQOZLLKTAMNMO-HZPDHXFCSA-N 2 1 280.387 2.275 20 0 CEADMP Cc1nc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cs1 ZINC000334165498 206126633 /nfs/dbraw/zinc/12/66/33/206126633.db2.gz ADWIAPYOYDSQSG-ZFWWWQNUSA-N 2 1 279.453 2.410 20 0 CEADMP Cc1nc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000334165498 206126636 /nfs/dbraw/zinc/12/66/36/206126636.db2.gz ADWIAPYOYDSQSG-ZFWWWQNUSA-N 2 1 279.453 2.410 20 0 CEADMP Cc1nc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000334165498 206126640 /nfs/dbraw/zinc/12/66/40/206126640.db2.gz ADWIAPYOYDSQSG-ZFWWWQNUSA-N 2 1 279.453 2.410 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000374631319 374618784 /nfs/dbraw/zinc/61/87/84/374618784.db2.gz NBPQFRRJKQFXMV-MRXNPFEDSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000278412748 374808402 /nfs/dbraw/zinc/80/84/02/374808402.db2.gz PKLVKEFSPZVGTE-GFCCVEGCSA-N 2 1 263.360 2.103 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000684372970 541986593 /nfs/dbraw/zinc/98/65/93/541986593.db2.gz UTDAYQJHXAZYBA-YYIAUSFCSA-N 2 1 298.471 2.423 20 0 CEADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000377617870 374899963 /nfs/dbraw/zinc/89/99/63/374899963.db2.gz AVPSHAQPAXHZJK-MRXNPFEDSA-N 2 1 291.439 2.188 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000279555125 374917012 /nfs/dbraw/zinc/91/70/12/374917012.db2.gz RETVAMDLINWLLL-DOTOQJQBSA-N 2 1 276.424 2.402 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCCO)CC[N@H+]1Cc1ccccc1 ZINC000279555125 374917017 /nfs/dbraw/zinc/91/70/17/374917017.db2.gz RETVAMDLINWLLL-DOTOQJQBSA-N 2 1 276.424 2.402 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCC1CC1 ZINC000378401259 375093353 /nfs/dbraw/zinc/09/33/53/375093353.db2.gz JELMHNGXSWOTNS-VNQPRFMTSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1cc(C)cc(OCCC[N@@H+](C)[C@@H](C)C[NH3+])c1 ZINC000383017171 375197770 /nfs/dbraw/zinc/19/77/70/375197770.db2.gz KKVQQDBTCYEVJC-AWEZNQCLSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1cc(C)cc(OCCC[N@H+](C)[C@@H](C)C[NH3+])c1 ZINC000383017171 375197779 /nfs/dbraw/zinc/19/77/79/375197779.db2.gz KKVQQDBTCYEVJC-AWEZNQCLSA-N 2 1 250.386 2.351 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N[C@@H](C)CC[NH+](C)C ZINC000280682834 375284683 /nfs/dbraw/zinc/28/46/83/375284683.db2.gz IODVMRAFYIRNCU-NSHDSACASA-N 2 1 265.357 2.010 20 0 CEADMP CO[C@@H]([C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000388278236 375286447 /nfs/dbraw/zinc/28/64/47/375286447.db2.gz KKJSTMBKTLOZJX-NHYWBVRUSA-N 2 1 252.402 2.016 20 0 CEADMP CCC1CCC(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000389104611 375299053 /nfs/dbraw/zinc/29/90/53/375299053.db2.gz JPKBOLYLVKSPEH-ZBCRRDGASA-N 2 1 268.445 2.248 20 0 CEADMP CCC1CCC(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000389104611 375299058 /nfs/dbraw/zinc/29/90/58/375299058.db2.gz JPKBOLYLVKSPEH-ZBCRRDGASA-N 2 1 268.445 2.248 20 0 CEADMP Cc1[nH+]ccn1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283851595 375771158 /nfs/dbraw/zinc/77/11/58/375771158.db2.gz HIOLLQFDGVPQIG-KRWDZBQOSA-N 2 1 285.391 2.483 20 0 CEADMP Cc1[nH+]ccn1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283851595 375771162 /nfs/dbraw/zinc/77/11/62/375771162.db2.gz HIOLLQFDGVPQIG-KRWDZBQOSA-N 2 1 285.391 2.483 20 0 CEADMP C[C@@H](C(=O)NC(C)(C)C[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413860060 375792958 /nfs/dbraw/zinc/79/29/58/375792958.db2.gz LXKKGIZXQQRMEH-ZNMIVQPWSA-N 2 1 295.471 2.238 20 0 CEADMP c1cncc([C@H]2OCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000284672015 375830923 /nfs/dbraw/zinc/83/09/23/375830923.db2.gz QIILCKHCFFWLPU-LTIDMASMSA-N 2 1 287.407 2.128 20 0 CEADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000414659934 375906135 /nfs/dbraw/zinc/90/61/35/375906135.db2.gz UKVIKOYJTBUFBL-CYBMUJFWSA-N 2 1 288.370 2.100 20 0 CEADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000414659934 375906140 /nfs/dbraw/zinc/90/61/40/375906140.db2.gz UKVIKOYJTBUFBL-CYBMUJFWSA-N 2 1 288.370 2.100 20 0 CEADMP CCC[C@]1(CO)CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414760562 375952438 /nfs/dbraw/zinc/95/24/38/375952438.db2.gz QXKCUJUBMJTZKD-RBSFLKMASA-N 2 1 254.418 2.002 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414763407 375954608 /nfs/dbraw/zinc/95/46/08/375954608.db2.gz XLCAYXABWIFCJG-GDBMZVCRSA-N 2 1 284.444 2.271 20 0 CEADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414797765 375981807 /nfs/dbraw/zinc/98/18/07/375981807.db2.gz BNLHOPVZWDGBLC-MEDUHNTESA-N 2 1 272.396 2.211 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCC2 ZINC000414772901 375961858 /nfs/dbraw/zinc/96/18/58/375961858.db2.gz CRWYMMCWXLTUOO-SJORKVTESA-N 2 1 286.419 2.443 20 0 CEADMP C([C@H]1CCSC1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414779981 375965811 /nfs/dbraw/zinc/96/58/11/375965811.db2.gz KZRVABKDEHQARJ-MCIONIFRSA-N 2 1 254.443 2.061 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787160 375969577 /nfs/dbraw/zinc/96/95/77/375969577.db2.gz VCPKHJDWHRMSTH-CABCVRRESA-N 2 1 276.428 2.286 20 0 CEADMP CCc1cc(OC)ccc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414788280 375971375 /nfs/dbraw/zinc/97/13/75/375971375.db2.gz DEJJVXFQMGQMFE-OAHLLOKOSA-N 2 1 250.386 2.331 20 0 CEADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1OC(F)F ZINC000414793395 375975671 /nfs/dbraw/zinc/97/56/71/375975671.db2.gz KKYHDSNLZAPSCY-LLVKDONJSA-N 2 1 288.338 2.370 20 0 CEADMP CC(C)[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CCCCC1 ZINC000414679314 375912844 /nfs/dbraw/zinc/91/28/44/375912844.db2.gz ZIFYQDXAEZQGLL-HNNXBMFYSA-N 2 1 295.471 2.227 20 0 CEADMP C[N@@H+](CCC1CCCCC1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414689775 375921300 /nfs/dbraw/zinc/92/13/00/375921300.db2.gz GZJQHLJKNDKPRL-INIZCTEOSA-N 2 1 295.471 2.086 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]C(C)(C)C)C2(CCCCC2)C1 ZINC000414698385 375925947 /nfs/dbraw/zinc/92/59/47/375925947.db2.gz DEOCHNGXCJAHIH-UHFFFAOYSA-N 2 1 267.461 2.325 20 0 CEADMP CCOC(=O)[C@H](CC)[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000414736237 375943540 /nfs/dbraw/zinc/94/35/40/375943540.db2.gz GJPYPENMUUZDBT-NFAWXSAZSA-N 2 1 282.428 2.181 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CC[NH2+]1 ZINC000414734231 375944048 /nfs/dbraw/zinc/94/40/48/375944048.db2.gz DIWAFQCLDGKJRP-FDYHWXHSSA-N 2 1 294.361 2.010 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cn3c(n2)CCCC3)CC[NH2+]1 ZINC000414751393 375949304 /nfs/dbraw/zinc/94/93/04/375949304.db2.gz AJZWETQXEOVYPW-UONOGXRCSA-N 2 1 276.428 2.039 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@H]([NH3+])CC(C)C)C[C@H]1C ZINC000414749585 375949843 /nfs/dbraw/zinc/94/98/43/375949843.db2.gz YJNUFLAVFPOMNT-KFWWJZLASA-N 2 1 255.450 2.164 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000414796682 375980264 /nfs/dbraw/zinc/98/02/64/375980264.db2.gz OLHLYYZPFXKZCV-GFCCVEGCSA-N 2 1 258.312 2.361 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414807699 375992874 /nfs/dbraw/zinc/99/28/74/375992874.db2.gz CWJDUDYZDLEPMG-HNNXBMFYSA-N 2 1 272.396 2.479 20 0 CEADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000414807815 375993932 /nfs/dbraw/zinc/99/39/32/375993932.db2.gz RNYCLHJLZCVFAX-RKDXNWHRSA-N 2 1 259.806 2.404 20 0 CEADMP CCOc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1OCC ZINC000414811276 375997213 /nfs/dbraw/zinc/99/72/13/375997213.db2.gz YTZHIMFVHJPVDU-UHFFFAOYSA-N 2 1 266.385 2.311 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1c(C)nc2ccccn21 ZINC000414810873 375997230 /nfs/dbraw/zinc/99/72/30/375997230.db2.gz OXAWUWZTCOWEOR-UHFFFAOYSA-N 2 1 260.385 2.250 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(-n2cncn2)c(C)c1 ZINC000414814928 376002062 /nfs/dbraw/zinc/00/20/62/376002062.db2.gz OTGLRDSLHVZNSM-OAHLLOKOSA-N 2 1 287.411 2.183 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CC[NH2+]1 ZINC000415108067 376021111 /nfs/dbraw/zinc/02/11/11/376021111.db2.gz KDHWXFFZRLEVTP-YQFWSFKMSA-N 2 1 280.456 2.248 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2cccc3c2OCCCO3)C[C@H]1C[NH3+] ZINC000415137679 376021873 /nfs/dbraw/zinc/02/18/73/376021873.db2.gz YFKZQRMVUYEVSC-UKRRQHHQSA-N 2 1 290.407 2.265 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C[C@H]1C[NH3+] ZINC000415137679 376021880 /nfs/dbraw/zinc/02/18/80/376021880.db2.gz YFKZQRMVUYEVSC-UKRRQHHQSA-N 2 1 290.407 2.265 20 0 CEADMP COc1ccncc1CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000287934767 376343843 /nfs/dbraw/zinc/34/38/43/376343843.db2.gz XASGAAPLLOBZQS-OCCSQVGLSA-N 2 1 263.385 2.005 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000556923985 376519780 /nfs/dbraw/zinc/51/97/80/376519780.db2.gz OTOLRDUTPUGZSU-YLFCFFPRSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000556923985 376519787 /nfs/dbraw/zinc/51/97/87/376519787.db2.gz OTOLRDUTPUGZSU-YLFCFFPRSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000556923985 376519795 /nfs/dbraw/zinc/51/97/95/376519795.db2.gz OTOLRDUTPUGZSU-YLFCFFPRSA-N 2 1 279.472 2.323 20 0 CEADMP Cn1cncc1CNc1cc[nH+]cc1Br ZINC000307423686 376565306 /nfs/dbraw/zinc/56/53/06/376565306.db2.gz ISFQRJGTIYYWOS-UHFFFAOYSA-N 2 1 267.130 2.190 20 0 CEADMP C[N@@H+](CCCOCc1ccccc1)C1CC[NH2+]CC1 ZINC000309950203 376609300 /nfs/dbraw/zinc/60/93/00/376609300.db2.gz FSXJEXNUUWEUNS-UHFFFAOYSA-N 2 1 262.397 2.277 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000310006035 376612802 /nfs/dbraw/zinc/61/28/02/376612802.db2.gz VMBVDXXUQJPPNY-HLLBOEOZSA-N 2 1 275.440 2.189 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000310006035 376612806 /nfs/dbraw/zinc/61/28/06/376612806.db2.gz VMBVDXXUQJPPNY-HLLBOEOZSA-N 2 1 275.440 2.189 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cn[nH]c1 ZINC000310693839 376632902 /nfs/dbraw/zinc/63/29/02/376632902.db2.gz YRRQUXVKXQCMGI-NSHDSACASA-N 2 1 250.390 2.323 20 0 CEADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000310882025 376641642 /nfs/dbraw/zinc/64/16/42/376641642.db2.gz VGXNWKOMXXEBDA-LBPRGKRZSA-N 2 1 250.390 2.325 20 0 CEADMP CCc1nc(NC[C@@H](C)C[NH+]2CCCC2)cc(C)[nH+]1 ZINC000311478874 376673523 /nfs/dbraw/zinc/67/35/23/376673523.db2.gz STUMGTHIWFXUKQ-GFCCVEGCSA-N 2 1 262.401 2.491 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000311875888 376691343 /nfs/dbraw/zinc/69/13/43/376691343.db2.gz ATVSLKYJDPNFMZ-OAHLLOKOSA-N 2 1 266.360 2.265 20 0 CEADMP CN(C[C@H](O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000311944193 376696071 /nfs/dbraw/zinc/69/60/71/376696071.db2.gz XZUKNQWWLPSQGJ-BPUTZDHNSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000311944193 376696084 /nfs/dbraw/zinc/69/60/84/376696084.db2.gz XZUKNQWWLPSQGJ-BPUTZDHNSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000311944193 376696092 /nfs/dbraw/zinc/69/60/92/376696092.db2.gz XZUKNQWWLPSQGJ-BPUTZDHNSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000311944193 376696098 /nfs/dbraw/zinc/69/60/98/376696098.db2.gz XZUKNQWWLPSQGJ-BPUTZDHNSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000311944193 376696107 /nfs/dbraw/zinc/69/61/07/376696107.db2.gz XZUKNQWWLPSQGJ-BPUTZDHNSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc3nccn32)C1 ZINC000290458068 376787419 /nfs/dbraw/zinc/78/74/19/376787419.db2.gz MVJVPNRUZOFXER-GOEBONIOSA-N 2 1 284.407 2.250 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000290494875 376803229 /nfs/dbraw/zinc/80/32/29/376803229.db2.gz OUOHMXFXILLGBN-HNNXBMFYSA-N 2 1 289.423 2.254 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc(C)n2)[C@@H](C)C1 ZINC000280582539 542132363 /nfs/dbraw/zinc/13/23/63/542132363.db2.gz MPANUKLTNCUYPK-BBRMVZONSA-N 2 1 261.413 2.252 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C)n2)[C@H](C)C1 ZINC000280582560 542132507 /nfs/dbraw/zinc/13/25/07/542132507.db2.gz MPANUKLTNCUYPK-CZUORRHYSA-N 2 1 261.413 2.252 20 0 CEADMP CC1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])cn2)CC1 ZINC000422890942 376854924 /nfs/dbraw/zinc/85/49/24/376854924.db2.gz JQJJTOUUFFYIOM-CVEARBPZSA-N 2 1 288.439 2.287 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422979141 376902749 /nfs/dbraw/zinc/90/27/49/376902749.db2.gz LKSZXYDEQWJAAK-UONOGXRCSA-N 2 1 256.434 2.438 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422940334 376869188 /nfs/dbraw/zinc/86/91/88/376869188.db2.gz GYIHCQHIGMMACR-CHWSQXEVSA-N 2 1 270.323 2.300 20 0 CEADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422951644 376875556 /nfs/dbraw/zinc/87/55/56/376875556.db2.gz ZLRAFUCZNYOPCP-STQMWFEESA-N 2 1 289.423 2.369 20 0 CEADMP FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000422987920 376910089 /nfs/dbraw/zinc/91/00/89/376910089.db2.gz HULISTBJKNWKQM-REWJHTLYSA-N 2 1 288.382 2.311 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422996514 376911930 /nfs/dbraw/zinc/91/19/30/376911930.db2.gz MJUFXDPOEAQQBU-OWCLPIDISA-N 2 1 267.461 2.071 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422996514 376911937 /nfs/dbraw/zinc/91/19/37/376911937.db2.gz MJUFXDPOEAQQBU-OWCLPIDISA-N 3 1 267.461 2.071 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422996514 376911940 /nfs/dbraw/zinc/91/19/40/376911940.db2.gz MJUFXDPOEAQQBU-OWCLPIDISA-N 3 1 267.461 2.071 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC[C@@H]2O)C[C@H]1C ZINC000562554671 376931868 /nfs/dbraw/zinc/93/18/68/376931868.db2.gz SKZFGPOXBRRCHH-UGUYLWEFSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC[C@@H]2O)C[C@H]1C ZINC000562554671 376931876 /nfs/dbraw/zinc/93/18/76/376931876.db2.gz SKZFGPOXBRRCHH-UGUYLWEFSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC[C@@H]2O)C[C@H]1C ZINC000562554671 376931879 /nfs/dbraw/zinc/93/18/79/376931879.db2.gz SKZFGPOXBRRCHH-UGUYLWEFSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)[C@H]1CCCC[NH2+]1 ZINC000423018592 376933387 /nfs/dbraw/zinc/93/33/87/376933387.db2.gz ZJBWLIWKWGVZQQ-SWLSCSKDSA-N 2 1 274.412 2.017 20 0 CEADMP Cc1csc([C@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)n1 ZINC000423035727 376943932 /nfs/dbraw/zinc/94/39/32/376943932.db2.gz JVZBSBVSAGOJCJ-USWWRNFRSA-N 2 1 253.415 2.285 20 0 CEADMP COCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccco1 ZINC000423043369 376947481 /nfs/dbraw/zinc/94/74/81/376947481.db2.gz OROCNKVNWRURPW-QNMSZWNNSA-N 2 1 264.369 2.230 20 0 CEADMP C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000423078645 376971380 /nfs/dbraw/zinc/97/13/80/376971380.db2.gz OWPCSUUBCGXIQY-BMFZPTHFSA-N 2 1 268.445 2.438 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000423122240 377017437 /nfs/dbraw/zinc/01/74/37/377017437.db2.gz BYHUADDHOROEET-NFAWXSAZSA-N 2 1 277.387 2.135 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423129912 377028082 /nfs/dbraw/zinc/02/80/82/377028082.db2.gz GBIPGPFFJLFAJO-WDEREUQCSA-N 2 1 274.286 2.397 20 0 CEADMP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1c[nH+]ccc1N ZINC000423131273 377029946 /nfs/dbraw/zinc/02/99/46/377029946.db2.gz HVBHLZVZIJOZKU-CQSZACIVSA-N 3 1 276.428 2.411 20 0 CEADMP CC(C)[NH2+]CCCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000562956336 377035527 /nfs/dbraw/zinc/03/55/27/377035527.db2.gz PHGAROFXVPZBMK-UHFFFAOYSA-N 2 1 295.393 2.381 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000423138713 377036981 /nfs/dbraw/zinc/03/69/81/377036981.db2.gz JWRDOAFJDLJNLX-YCPHGPKFSA-N 2 1 291.414 2.240 20 0 CEADMP CSc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2[NH3+])N(C)C)cc1 ZINC000423145709 377047553 /nfs/dbraw/zinc/04/75/53/377047553.db2.gz MCKTYSMCXOHHES-PMPSAXMXSA-N 2 1 293.480 2.481 20 0 CEADMP CCN(C)C(=O)[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C(C)C ZINC000423149299 377049642 /nfs/dbraw/zinc/04/96/42/377049642.db2.gz AMNWFRCFBDWZJV-OAGGEKHMSA-N 2 1 289.423 2.224 20 0 CEADMP COC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423091913 376986273 /nfs/dbraw/zinc/98/62/73/376986273.db2.gz ZPDFGANSFYZRBC-HZMBPMFUSA-N 2 1 268.788 2.225 20 0 CEADMP CCOc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1Cl ZINC000423098006 376991696 /nfs/dbraw/zinc/99/16/96/376991696.db2.gz BYMRJJRJVRPJEJ-SNVBAGLBSA-N 2 1 268.788 2.436 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000562744331 376992398 /nfs/dbraw/zinc/99/23/98/376992398.db2.gz PMJHTGNPYHFMRO-ZDUSSCGKSA-N 2 1 270.380 2.089 20 0 CEADMP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000423107420 377001105 /nfs/dbraw/zinc/00/11/05/377001105.db2.gz KVIZKWQTFMCNPS-IJLUTSLNSA-N 2 1 292.345 2.076 20 0 CEADMP C[C@@H]([NH2+]C[C@](C)(CO)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423109566 377003900 /nfs/dbraw/zinc/00/39/00/377003900.db2.gz NTJXNNZWEWMULO-DJIMGWMZSA-N 2 1 276.424 2.057 20 0 CEADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCC[NH2+]C)CCC2 ZINC000423208565 377125694 /nfs/dbraw/zinc/12/56/94/377125694.db2.gz ZEXARHJNCDVXKO-LBPRGKRZSA-N 2 1 294.395 2.341 20 0 CEADMP C[C@H](CCCC[NH3+])[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000423153402 377054345 /nfs/dbraw/zinc/05/43/45/377054345.db2.gz GLLMEKIBXWUGIY-KGLIPLIRSA-N 2 1 283.460 2.118 20 0 CEADMP COc1cc(F)cc(C[C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000423168628 377073993 /nfs/dbraw/zinc/07/39/93/377073993.db2.gz UWXPCPDVSLDMFI-BFQNTYOBSA-N 2 1 280.387 2.495 20 0 CEADMP C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1c[nH+]ccc1N ZINC000423174039 377081308 /nfs/dbraw/zinc/08/13/08/377081308.db2.gz BAYBYMRSKXGJAQ-WCQYABFASA-N 2 1 289.354 2.060 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000423269999 377189692 /nfs/dbraw/zinc/18/96/92/377189692.db2.gz WFHHPORYLPEERL-WCQYABFASA-N 2 1 291.395 2.042 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423269537 377190216 /nfs/dbraw/zinc/19/02/16/377190216.db2.gz HDPPOYDEYWHPGW-YQQAZPJKSA-N 2 1 275.440 2.095 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000423269537 377190222 /nfs/dbraw/zinc/19/02/22/377190222.db2.gz HDPPOYDEYWHPGW-YQQAZPJKSA-N 2 1 275.440 2.095 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000423272049 377191755 /nfs/dbraw/zinc/19/17/55/377191755.db2.gz JPLSUZRWXICMHU-NWDGAFQWSA-N 2 1 252.406 2.279 20 0 CEADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000423218495 377133399 /nfs/dbraw/zinc/13/33/99/377133399.db2.gz UOAZIBZVXRORFF-LXPRWKDFSA-N 3 1 287.451 2.381 20 0 CEADMP C[N@H+](Cc1ccccc1)C1CCC(N[C@@H]2CC[NH2+]C2)CC1 ZINC000423218495 377133404 /nfs/dbraw/zinc/13/34/04/377133404.db2.gz UOAZIBZVXRORFF-LXPRWKDFSA-N 2 1 287.451 2.381 20 0 CEADMP C[N@@H+](Cc1ccccc1)C1CCC(N[C@@H]2CC[NH2+]C2)CC1 ZINC000423218495 377133413 /nfs/dbraw/zinc/13/34/13/377133413.db2.gz UOAZIBZVXRORFF-LXPRWKDFSA-N 2 1 287.451 2.381 20 0 CEADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000423218494 377133864 /nfs/dbraw/zinc/13/38/64/377133864.db2.gz UOAZIBZVXRORFF-ADKAHSJRSA-N 3 1 287.451 2.381 20 0 CEADMP C[N@H+](Cc1ccccc1)C1CCC(N[C@H]2CC[NH2+]C2)CC1 ZINC000423218494 377133871 /nfs/dbraw/zinc/13/38/71/377133871.db2.gz UOAZIBZVXRORFF-ADKAHSJRSA-N 2 1 287.451 2.381 20 0 CEADMP C[N@@H+](Cc1ccccc1)C1CCC(N[C@H]2CC[NH2+]C2)CC1 ZINC000423218494 377133876 /nfs/dbraw/zinc/13/38/76/377133876.db2.gz UOAZIBZVXRORFF-ADKAHSJRSA-N 2 1 287.451 2.381 20 0 CEADMP N[C@@H]1C[N@H+](C[C@H]2CCCC[C@@H]2O)C[C@H]1c1ccccc1F ZINC000563271221 377150072 /nfs/dbraw/zinc/15/00/72/377150072.db2.gz NHPONQJBKFIDMT-UOJCXKCYSA-N 2 1 292.398 2.103 20 0 CEADMP N[C@@H]1C[N@@H+](C[C@H]2CCCC[C@@H]2O)C[C@H]1c1ccccc1F ZINC000563271221 377150081 /nfs/dbraw/zinc/15/00/81/377150081.db2.gz NHPONQJBKFIDMT-UOJCXKCYSA-N 2 1 292.398 2.103 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+][C@H](C[NH3+])CC(C)C)CC1 ZINC000423257673 377176866 /nfs/dbraw/zinc/17/68/66/377176866.db2.gz AAYWOUDWCKULKF-BBBYJDLNSA-N 2 1 284.444 2.461 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000423260212 377180194 /nfs/dbraw/zinc/18/01/94/377180194.db2.gz GYQUYVRVLMIKKD-GXTWGEPZSA-N 2 1 278.396 2.482 20 0 CEADMP CC[NH+](Cc1c[nH]c2ccccc12)C[C@H](O)C[N@@H+](C)CC ZINC000563352229 377180844 /nfs/dbraw/zinc/18/08/44/377180844.db2.gz HBZCZOOYWSPWEB-OAHLLOKOSA-N 2 1 289.423 2.302 20 0 CEADMP CC[NH+](Cc1c[nH]c2ccccc12)C[C@H](O)C[N@H+](C)CC ZINC000563352229 377180854 /nfs/dbraw/zinc/18/08/54/377180854.db2.gz HBZCZOOYWSPWEB-OAHLLOKOSA-N 2 1 289.423 2.302 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)Cc1c[nH]c2ccccc12 ZINC000563352229 377180863 /nfs/dbraw/zinc/18/08/63/377180863.db2.gz HBZCZOOYWSPWEB-OAHLLOKOSA-N 2 1 289.423 2.302 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)Cc1c[nH]c2ccccc12 ZINC000563352229 377180871 /nfs/dbraw/zinc/18/08/71/377180871.db2.gz HBZCZOOYWSPWEB-OAHLLOKOSA-N 2 1 289.423 2.302 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423263321 377181590 /nfs/dbraw/zinc/18/15/90/377181590.db2.gz AXAUJPVLNMXBPO-CGTJXYLNSA-N 2 1 289.467 2.470 20 0 CEADMP [NH3+]C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000423269194 377189458 /nfs/dbraw/zinc/18/94/58/377189458.db2.gz VNZAROYADWWNPE-XHSDSOJGSA-N 2 1 265.445 2.110 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)C12CCCCC2 ZINC000423280532 377207888 /nfs/dbraw/zinc/20/78/88/377207888.db2.gz SVZJLGDGSLWOGJ-RRFJBIMHSA-N 2 1 266.429 2.441 20 0 CEADMP OC1CCC([NH2+]CC[NH2+]C2CCCCCC2)CC1 ZINC000423281282 377208054 /nfs/dbraw/zinc/20/80/54/377208054.db2.gz UCEKRLRAPBDRPH-UHFFFAOYSA-N 2 1 254.418 2.192 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cncc(F)c1 ZINC000423336352 377266997 /nfs/dbraw/zinc/26/69/97/377266997.db2.gz SJZZTNJKQWXHQV-RISCZKNCSA-N 2 1 251.349 2.261 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000423304946 377234371 /nfs/dbraw/zinc/23/43/71/377234371.db2.gz ZSKUAPQSWKJJPD-UKRRQHHQSA-N 2 1 287.411 2.435 20 0 CEADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccccc1OC(F)F ZINC000423304643 377235096 /nfs/dbraw/zinc/23/50/96/377235096.db2.gz OMLAXPOZLCAXET-VIFPVBQESA-N 2 1 256.296 2.158 20 0 CEADMP CCOc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)cc1OCC ZINC000423308332 377236843 /nfs/dbraw/zinc/23/68/43/377236843.db2.gz XLLFWPNGHFPBJA-LBPRGKRZSA-N 2 1 278.396 2.354 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)ccc1F ZINC000423315088 377245171 /nfs/dbraw/zinc/24/51/71/377245171.db2.gz IJIPIMUSNSTEOD-ZANVPECISA-N 2 1 252.333 2.222 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000423317507 377247624 /nfs/dbraw/zinc/24/76/24/377247624.db2.gz BPUZHFNRQVZXHO-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(-n2cccn2)cc1 ZINC000423317100 377247939 /nfs/dbraw/zinc/24/79/39/377247939.db2.gz CDHDRFIELLLCAS-ZDUSSCGKSA-N 2 1 270.380 2.404 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)CC(C)C ZINC000563631828 377270154 /nfs/dbraw/zinc/27/01/54/377270154.db2.gz OTVTZYFNIKIHAQ-GJZGRUSLSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)CC(C)C ZINC000563631828 377270160 /nfs/dbraw/zinc/27/01/60/377270160.db2.gz OTVTZYFNIKIHAQ-GJZGRUSLSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)CC(C)C ZINC000563631828 377270168 /nfs/dbraw/zinc/27/01/68/377270168.db2.gz OTVTZYFNIKIHAQ-GJZGRUSLSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)CC(C)C ZINC000563631828 377270178 /nfs/dbraw/zinc/27/01/78/377270178.db2.gz OTVTZYFNIKIHAQ-GJZGRUSLSA-N 2 1 256.434 2.200 20 0 CEADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccoc1 ZINC000564201219 377358693 /nfs/dbraw/zinc/35/86/93/377358693.db2.gz JLYHONYOEBGINL-IUDNXUCKSA-N 2 1 277.412 2.147 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000564408712 377387125 /nfs/dbraw/zinc/38/71/25/377387125.db2.gz FGZBAEQQATXSPJ-CXTNEJHOSA-N 2 1 265.401 2.373 20 0 CEADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@H]1CCCC[C@H]1O ZINC000564733008 377443586 /nfs/dbraw/zinc/44/35/86/377443586.db2.gz KJGRUWYJMBYJGN-HZPDHXFCSA-N 2 1 268.445 2.379 20 0 CEADMP CC[NH2+]CCCN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000564822176 377463602 /nfs/dbraw/zinc/46/36/02/377463602.db2.gz DLRUQJPXDFNYDH-WBVHZDCISA-N 2 1 275.440 2.096 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000564822176 377463609 /nfs/dbraw/zinc/46/36/09/377463609.db2.gz DLRUQJPXDFNYDH-WBVHZDCISA-N 2 1 275.440 2.096 20 0 CEADMP Cc1ccccc1C1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000564849042 377475915 /nfs/dbraw/zinc/47/59/15/377475915.db2.gz PUHKPZZBTZWUAX-INIZCTEOSA-N 2 1 288.435 2.071 20 0 CEADMP Cc1ccccc1C1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000564849042 377475924 /nfs/dbraw/zinc/47/59/24/377475924.db2.gz PUHKPZZBTZWUAX-INIZCTEOSA-N 2 1 288.435 2.071 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000564974813 377518234 /nfs/dbraw/zinc/51/82/34/377518234.db2.gz VUGVSXGTZAAOMT-KGLIPLIRSA-N 2 1 282.391 2.313 20 0 CEADMP CC[C@H](c1nc(C[NH3+])no1)N(C)Cc1ccccc1 ZINC000564959067 377514048 /nfs/dbraw/zinc/51/40/48/377514048.db2.gz QYNPNVWAWJFDBO-GFCCVEGCSA-N 2 1 260.341 2.111 20 0 CEADMP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430591232 377530245 /nfs/dbraw/zinc/53/02/45/377530245.db2.gz NNMDHPHZQCXXDY-ZNMIVQPWSA-N 2 1 289.423 2.097 20 0 CEADMP C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430591232 377530249 /nfs/dbraw/zinc/53/02/49/377530249.db2.gz NNMDHPHZQCXXDY-ZNMIVQPWSA-N 2 1 289.423 2.097 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000565092715 377555653 /nfs/dbraw/zinc/55/56/53/377555653.db2.gz DIDUFAQWRDXZCW-MRXNPFEDSA-N 2 1 287.451 2.106 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000565092715 377555659 /nfs/dbraw/zinc/55/56/59/377555659.db2.gz DIDUFAQWRDXZCW-MRXNPFEDSA-N 3 1 287.451 2.106 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000565092715 377555664 /nfs/dbraw/zinc/55/56/64/377555664.db2.gz DIDUFAQWRDXZCW-MRXNPFEDSA-N 3 1 287.451 2.106 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000565092715 377555670 /nfs/dbraw/zinc/55/56/70/377555670.db2.gz DIDUFAQWRDXZCW-MRXNPFEDSA-N 3 1 287.451 2.106 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000565092715 377555676 /nfs/dbraw/zinc/55/56/76/377555676.db2.gz DIDUFAQWRDXZCW-MRXNPFEDSA-N 3 1 287.451 2.106 20 0 CEADMP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430951813 377573609 /nfs/dbraw/zinc/57/36/09/377573609.db2.gz WJIBOXCWNFEXIP-WDEREUQCSA-N 2 1 280.416 2.487 20 0 CEADMP C[NH2+]C1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000430972779 377581940 /nfs/dbraw/zinc/58/19/40/377581940.db2.gz UJFMWFZTEJPMQQ-UHFFFAOYSA-N 2 1 254.418 2.410 20 0 CEADMP Cc1nnc([C@H](C)[N@H+]2CC[C@H](c3nccn3C)C2)s1 ZINC000565158641 377575295 /nfs/dbraw/zinc/57/52/95/377575295.db2.gz UJQDALHAVDKLNB-ONGXEEELSA-N 2 1 277.397 2.131 20 0 CEADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C[N@H+]1C1CC1 ZINC000431023398 377589564 /nfs/dbraw/zinc/58/95/64/377589564.db2.gz HNGNTBLWGQPOQH-OCVGTWLNSA-N 2 1 293.455 2.026 20 0 CEADMP CCC[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431064539 377593986 /nfs/dbraw/zinc/59/39/86/377593986.db2.gz FBCDPCUUUSQTHH-LLVKDONJSA-N 2 1 266.389 2.276 20 0 CEADMP CCC[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431064539 377593989 /nfs/dbraw/zinc/59/39/89/377593989.db2.gz FBCDPCUUUSQTHH-LLVKDONJSA-N 2 1 266.389 2.276 20 0 CEADMP C[C@H](C1CC1)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000431096468 377600402 /nfs/dbraw/zinc/60/04/02/377600402.db2.gz ZISDHSHAOCAYQF-SECBINFHSA-N 2 1 264.373 2.026 20 0 CEADMP C[C@H](C1CC1)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000431096468 377600406 /nfs/dbraw/zinc/60/04/06/377600406.db2.gz ZISDHSHAOCAYQF-SECBINFHSA-N 2 1 264.373 2.026 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C[C@H]1C ZINC000565218445 377610232 /nfs/dbraw/zinc/61/02/32/377610232.db2.gz OCUIFGIBXVWGOC-KFWWJZLASA-N 2 1 268.445 2.248 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOCC1CCCC1 ZINC000313304754 249392684 /nfs/dbraw/zinc/39/26/84/249392684.db2.gz RWGHBAICYLORQO-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1ccc(OCCC[N@H+]2CCCO[C@H](C[NH3+])C2)cc1C ZINC000313335983 249394717 /nfs/dbraw/zinc/39/47/17/249394717.db2.gz HUSXWVCSVHTVRB-QGZVFWFLSA-N 2 1 292.423 2.122 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC000566040310 377712184 /nfs/dbraw/zinc/71/21/84/377712184.db2.gz FOGRTKGJFWRAEN-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CC(C)(C)OC2(C)C)CCCO1 ZINC000432425598 377761075 /nfs/dbraw/zinc/76/10/75/377761075.db2.gz VVZWFBVPFQGTLT-CABCVRRESA-N 2 1 298.471 2.423 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH+](C)C[C@H]1C ZINC000566944311 377788121 /nfs/dbraw/zinc/78/81/21/377788121.db2.gz JBEHQTWUWGBHMA-KFWWJZLASA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@H+](C)C[C@H]1C ZINC000566944311 377788129 /nfs/dbraw/zinc/78/81/29/377788129.db2.gz JBEHQTWUWGBHMA-KFWWJZLASA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000566944311 377788134 /nfs/dbraw/zinc/78/81/34/377788134.db2.gz JBEHQTWUWGBHMA-KFWWJZLASA-N 2 1 255.450 2.037 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567049337 377796059 /nfs/dbraw/zinc/79/60/59/377796059.db2.gz OLJFGPXHNLIRHT-MRXNPFEDSA-N 2 1 282.428 2.185 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCOC2)[C@H](C)C1 ZINC000438115326 377887687 /nfs/dbraw/zinc/88/76/87/377887687.db2.gz HEWFRRGAWMAVEC-KFWWJZLASA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CCOC2)[C@H](C)C1 ZINC000438115326 377887693 /nfs/dbraw/zinc/88/76/93/377887693.db2.gz HEWFRRGAWMAVEC-KFWWJZLASA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2CCOC2)[C@H](C)C1 ZINC000438115326 377887699 /nfs/dbraw/zinc/88/76/99/377887699.db2.gz HEWFRRGAWMAVEC-KFWWJZLASA-N 2 1 254.418 2.075 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CC[C@H](O)CC1 ZINC000439272024 377924804 /nfs/dbraw/zinc/92/48/04/377924804.db2.gz KHUVFLOZFQJFBQ-SHTZXODSSA-N 2 1 254.418 2.098 20 0 CEADMP C[C@@H](O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000438983336 377915898 /nfs/dbraw/zinc/91/58/98/377915898.db2.gz ZKFDIASPBAUWBU-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP CC[N@@H+](CC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)C1CC1 ZINC000442848946 378007354 /nfs/dbraw/zinc/00/73/54/378007354.db2.gz GCEDUIAKTBBGDC-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](CCC1CC1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442890649 378015229 /nfs/dbraw/zinc/01/52/29/378015229.db2.gz PMIZJFHOAVPFOJ-CQSZACIVSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000442170617 377962853 /nfs/dbraw/zinc/96/28/53/377962853.db2.gz LSQYQAMMOQHKEK-PJPHBNEVSA-N 2 1 295.471 2.096 20 0 CEADMP COc1cc(C)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(C)n1 ZINC000442917812 378017179 /nfs/dbraw/zinc/01/71/79/378017179.db2.gz BKBFZAWXJUCBOE-CQSZACIVSA-N 2 1 277.412 2.268 20 0 CEADMP CSc1ccc(OCC[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000442758032 377990621 /nfs/dbraw/zinc/99/06/21/377990621.db2.gz IEKOCYWTZQKRSD-OLZOCXBDSA-N 2 1 280.437 2.456 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOC1CCCCCC1 ZINC000442759431 377992073 /nfs/dbraw/zinc/99/20/73/377992073.db2.gz QVRHWMDHFVCSBQ-ZIAGYGMSSA-N 2 1 254.418 2.395 20 0 CEADMP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443069361 378033598 /nfs/dbraw/zinc/03/35/98/378033598.db2.gz JROHZHHZIFWVKM-CABCVRRESA-N 2 1 289.423 2.383 20 0 CEADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccsc1 ZINC000443086188 378035393 /nfs/dbraw/zinc/03/53/93/378035393.db2.gz NEQMJXAYIHCVCE-ZIAGYGMSSA-N 2 1 268.426 2.246 20 0 CEADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccsc1 ZINC000443086188 378035399 /nfs/dbraw/zinc/03/53/99/378035399.db2.gz NEQMJXAYIHCVCE-ZIAGYGMSSA-N 2 1 268.426 2.246 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]([NH3+])CC)cc1 ZINC000295211731 378052629 /nfs/dbraw/zinc/05/26/29/378052629.db2.gz LSHWNGCANALPQV-MRXNPFEDSA-N 2 1 291.439 2.386 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000443433722 378052644 /nfs/dbraw/zinc/05/26/44/378052644.db2.gz WAAQENBYCMNHBT-ZIAGYGMSSA-N 2 1 298.394 2.009 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000443433722 378052646 /nfs/dbraw/zinc/05/26/46/378052646.db2.gz WAAQENBYCMNHBT-ZIAGYGMSSA-N 2 1 298.394 2.009 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000442921132 378019712 /nfs/dbraw/zinc/01/97/12/378019712.db2.gz HWMVBMMSJQCITK-ZDUSSCGKSA-N 2 1 259.397 2.215 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447558310 378116947 /nfs/dbraw/zinc/11/69/47/378116947.db2.gz NKMNCNJSVUQRIH-CPUCHLNUSA-N 3 1 279.472 2.179 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447558310 378116951 /nfs/dbraw/zinc/11/69/51/378116951.db2.gz NKMNCNJSVUQRIH-CPUCHLNUSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000449322689 378202099 /nfs/dbraw/zinc/20/20/99/378202099.db2.gz YTHGHJOCOJIAHO-KLHDSHLOSA-N 2 1 295.471 2.273 20 0 CEADMP C[NH+]1CCC([NH2+]CC(C)(C)C2(O)CCCC2)CC1 ZINC000449735226 378225772 /nfs/dbraw/zinc/22/57/72/378225772.db2.gz GJSZIIPRXJXKLL-UHFFFAOYSA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccsc1 ZINC000295792467 378305917 /nfs/dbraw/zinc/30/59/17/378305917.db2.gz BQCCYMHPKSXUIF-ZIAGYGMSSA-N 2 1 268.426 2.246 20 0 CEADMP CCc1cc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)cc[nH+]1 ZINC000450312694 378350322 /nfs/dbraw/zinc/35/03/22/378350322.db2.gz NFCGTVDCYIYGQB-HNNXBMFYSA-N 2 1 277.412 2.191 20 0 CEADMP Cc1cnccc1CN1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000295978207 378378090 /nfs/dbraw/zinc/37/80/90/378378090.db2.gz JDHFTFXJBUOLRJ-HOTGVXAUSA-N 2 1 259.397 2.306 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC000450388244 378388491 /nfs/dbraw/zinc/38/84/91/378388491.db2.gz IKWKENAIPQLLES-KRWDZBQOSA-N 2 1 277.456 2.199 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000450395659 378392307 /nfs/dbraw/zinc/39/23/07/378392307.db2.gz VFRMCJWZGWBYAG-IAGOWNOFSA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000450395659 378392313 /nfs/dbraw/zinc/39/23/13/378392313.db2.gz VFRMCJWZGWBYAG-IAGOWNOFSA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000450395659 378392320 /nfs/dbraw/zinc/39/23/20/378392320.db2.gz VFRMCJWZGWBYAG-IAGOWNOFSA-N 2 1 279.472 2.418 20 0 CEADMP CCc1ccc2[nH+]ccc(N3CC[N@@H+]4CCOC[C@@H]4C3)c2c1 ZINC000450443559 378419569 /nfs/dbraw/zinc/41/95/69/378419569.db2.gz WJEOCQAEPXRBJF-HNNXBMFYSA-N 2 1 297.402 2.318 20 0 CEADMP CCc1ccc2[nH+]ccc(N3CC[N@H+]4CCOC[C@@H]4C3)c2c1 ZINC000450443559 378419575 /nfs/dbraw/zinc/41/95/75/378419575.db2.gz WJEOCQAEPXRBJF-HNNXBMFYSA-N 2 1 297.402 2.318 20 0 CEADMP COc1nccnc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000296272115 378471804 /nfs/dbraw/zinc/47/18/04/378471804.db2.gz DTNJHEWRJSDENR-AWEZNQCLSA-N 2 1 292.427 2.087 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(F)ncc1F ZINC000296311042 378486882 /nfs/dbraw/zinc/48/68/82/378486882.db2.gz GPJLPDSMNFZLGI-UHFFFAOYSA-N 2 1 266.295 2.045 20 0 CEADMP CS[C@@H]1CN(C[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1[NH+](C)C ZINC000450637754 378511679 /nfs/dbraw/zinc/51/16/79/378511679.db2.gz RFSUHAXWPGGBLW-ARFHVFGLSA-N 2 1 299.528 2.227 20 0 CEADMP COc1c[nH+]ccc1N1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450898408 378636924 /nfs/dbraw/zinc/63/69/24/378636924.db2.gz REKMYIOTXLHVSI-UHFFFAOYSA-N 2 1 297.349 2.258 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2c1cccc2O ZINC000296691551 378619382 /nfs/dbraw/zinc/61/93/82/378619382.db2.gz LYNVPIRQJJTWSW-CQSZACIVSA-N 2 1 257.337 2.174 20 0 CEADMP C[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CC[NH+](C2CC2)C1 ZINC000451080618 378703735 /nfs/dbraw/zinc/70/37/35/378703735.db2.gz KSCMZZOERRLQIJ-CVEARBPZSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@@H+](C2CC2)C1 ZINC000451080618 378703744 /nfs/dbraw/zinc/70/37/44/378703744.db2.gz KSCMZZOERRLQIJ-CVEARBPZSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@H+](C2CC2)C1 ZINC000451080618 378703749 /nfs/dbraw/zinc/70/37/49/378703749.db2.gz KSCMZZOERRLQIJ-CVEARBPZSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346840656 218032729 /nfs/dbraw/zinc/03/27/29/218032729.db2.gz GCXGGAOFBGPSFC-GJZGRUSLSA-N 2 1 299.422 2.260 20 0 CEADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346831388 218028848 /nfs/dbraw/zinc/02/88/48/218028848.db2.gz KYSSIYZDMHDWGV-ZNMIVQPWSA-N 2 1 290.407 2.263 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC000453289382 378855597 /nfs/dbraw/zinc/85/55/97/378855597.db2.gz MIADVSCMKXAIMT-BHYGNILZSA-N 2 1 276.424 2.174 20 0 CEADMP CCc1nccn1[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346848575 218036674 /nfs/dbraw/zinc/03/66/74/218036674.db2.gz FGNHIJJKVLVMHU-GJZGRUSLSA-N 2 1 276.428 2.082 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)CC[N@H+]1C ZINC000453329802 378863973 /nfs/dbraw/zinc/86/39/73/378863973.db2.gz YBFIBRAGOKYRNI-RBSFLKMASA-N 2 1 266.429 2.408 20 0 CEADMP OC[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346978009 218076192 /nfs/dbraw/zinc/07/61/92/218076192.db2.gz ODOHOQZGHPMQEF-SJLPKXTDSA-N 2 1 288.435 2.259 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1ccn(C(F)F)n1)C1CC1 ZINC000453601095 378918817 /nfs/dbraw/zinc/91/88/17/378918817.db2.gz UMSANCQDCGXYIY-UHFFFAOYSA-N 2 1 272.343 2.242 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)CN(C)C ZINC000453600064 378918849 /nfs/dbraw/zinc/91/88/49/378918849.db2.gz BWQAKSBTXVZIFU-UHFFFAOYSA-N 2 1 287.411 2.006 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000347052138 218106402 /nfs/dbraw/zinc/10/64/02/218106402.db2.gz VFZJBBSWCUTVIH-LSDHHAIUSA-N 2 1 297.487 2.390 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](C[NH2+]C)C2)CCO1 ZINC000347017097 218093436 /nfs/dbraw/zinc/09/34/36/218093436.db2.gz DGVPFEHVZDCGKL-SOUVJXGZSA-N 2 1 254.418 2.123 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1C ZINC000347104107 218122743 /nfs/dbraw/zinc/12/27/43/218122743.db2.gz LABWYHKRSMGXDM-IAQYHMDHSA-N 2 1 264.417 2.079 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1C ZINC000347104107 218122745 /nfs/dbraw/zinc/12/27/45/218122745.db2.gz LABWYHKRSMGXDM-IAQYHMDHSA-N 2 1 264.417 2.079 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccncc2)C1 ZINC000347121115 218129234 /nfs/dbraw/zinc/12/92/34/218129234.db2.gz KSZMTLQXJIMXIZ-WBVHZDCISA-N 2 1 289.423 2.409 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccncc2)C1 ZINC000347121115 218129235 /nfs/dbraw/zinc/12/92/35/218129235.db2.gz KSZMTLQXJIMXIZ-WBVHZDCISA-N 2 1 289.423 2.409 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000347121115 218129238 /nfs/dbraw/zinc/12/92/38/218129238.db2.gz KSZMTLQXJIMXIZ-WBVHZDCISA-N 2 1 289.423 2.409 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000347121115 218129239 /nfs/dbraw/zinc/12/92/39/218129239.db2.gz KSZMTLQXJIMXIZ-WBVHZDCISA-N 2 1 289.423 2.409 20 0 CEADMP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000347227806 218163542 /nfs/dbraw/zinc/16/35/42/218163542.db2.gz WKZYDCHXCCSAKX-AWEZNQCLSA-N 2 1 278.396 2.265 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000347227806 218163544 /nfs/dbraw/zinc/16/35/44/218163544.db2.gz WKZYDCHXCCSAKX-AWEZNQCLSA-N 2 1 278.396 2.265 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000347403115 218223436 /nfs/dbraw/zinc/22/34/36/218223436.db2.gz IDBKBDSHHUSPAZ-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC)C2(C)C)[C@@H](C)C1 ZINC000347424391 218229845 /nfs/dbraw/zinc/22/98/45/218229845.db2.gz UMMFQORRQAUYJU-FQUUOJAGSA-N 2 1 254.418 2.120 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000347444321 218237943 /nfs/dbraw/zinc/23/79/43/218237943.db2.gz SDEWPEZENXTSSM-IRXDYDNUSA-N 2 1 298.471 2.378 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000278812842 194164596 /nfs/dbraw/zinc/16/45/96/194164596.db2.gz SAFRVAUZSDIIJS-MQVJKMGUSA-N 2 1 287.407 2.360 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000278812842 194164598 /nfs/dbraw/zinc/16/45/98/194164598.db2.gz SAFRVAUZSDIIJS-MQVJKMGUSA-N 2 1 287.407 2.360 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCCSC1)c1c[nH+]ccc1N ZINC000516562070 379292191 /nfs/dbraw/zinc/29/21/91/379292191.db2.gz KYJGSRSSFBNEBP-GHMZBOCLSA-N 2 1 251.399 2.288 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)CC1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000517130638 379345802 /nfs/dbraw/zinc/34/58/02/379345802.db2.gz XKAPAQSPKOEXQI-CJNGLKHVSA-N 2 1 266.429 2.168 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNc2cc[nH+]cc2C(N)=O)C1 ZINC000302236915 379341289 /nfs/dbraw/zinc/34/12/89/379341289.db2.gz VYSSFZVNFQVGLL-ZDUSSCGKSA-N 2 1 290.411 2.105 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000523669886 379600892 /nfs/dbraw/zinc/60/08/92/379600892.db2.gz QFLVTFVPCMPDEO-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000523669886 379600903 /nfs/dbraw/zinc/60/09/03/379600903.db2.gz QFLVTFVPCMPDEO-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000523669886 379600909 /nfs/dbraw/zinc/60/09/09/379600909.db2.gz QFLVTFVPCMPDEO-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000522851290 379576549 /nfs/dbraw/zinc/57/65/49/379576549.db2.gz UVZVGIBJLGFESR-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](C(=O)NCC[N@H+]1CCCC1(C)C)[NH+]1CCCCCC1 ZINC000457063564 379647198 /nfs/dbraw/zinc/64/71/98/379647198.db2.gz WEGAKINPTMPDDB-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CCc1ccc([C@H](CC)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000305125955 379650275 /nfs/dbraw/zinc/65/02/75/379650275.db2.gz LDTZJACRACAHJW-HOTGVXAUSA-N 2 1 264.413 2.212 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCCCCC2)[C@@H](C)C1 ZINC000305168992 379671104 /nfs/dbraw/zinc/67/11/04/379671104.db2.gz ZFFYRTOJORARMH-LSDHHAIUSA-N 2 1 268.445 2.392 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1CCC(CO)CC1 ZINC000305660121 379726441 /nfs/dbraw/zinc/72/64/41/379726441.db2.gz XQTQRMKMXONOSM-UHFFFAOYSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1CCC(CO)CC1 ZINC000305660121 379726447 /nfs/dbraw/zinc/72/64/47/379726447.db2.gz XQTQRMKMXONOSM-UHFFFAOYSA-N 2 1 279.428 2.455 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCC2)[C@H]2CCC[C@@H]21 ZINC000527999820 379870456 /nfs/dbraw/zinc/87/04/56/379870456.db2.gz HROSAXFDWONWLO-MHORFTMASA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C2CCCC2)[C@H]2CCC[C@@H]21 ZINC000527999820 379870459 /nfs/dbraw/zinc/87/04/59/379870459.db2.gz HROSAXFDWONWLO-MHORFTMASA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C2CCCC2)[C@H]2CCC[C@@H]21 ZINC000527999820 379870465 /nfs/dbraw/zinc/87/04/65/379870465.db2.gz HROSAXFDWONWLO-MHORFTMASA-N 2 1 291.483 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)[C@H]2CCC[C@@H]21 ZINC000527999820 379870476 /nfs/dbraw/zinc/87/04/76/379870476.db2.gz HROSAXFDWONWLO-MHORFTMASA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)[C@H]2CCC[C@@H]21 ZINC000527999820 379870469 /nfs/dbraw/zinc/87/04/69/379870469.db2.gz HROSAXFDWONWLO-MHORFTMASA-N 2 1 291.483 2.466 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(CO)ccc1F ZINC000528422695 379966459 /nfs/dbraw/zinc/96/64/59/379966459.db2.gz SUMOPCNNLCTUNR-UHFFFAOYSA-N 2 1 291.370 2.345 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(CO)ccc1F ZINC000528422695 379966468 /nfs/dbraw/zinc/96/64/68/379966468.db2.gz SUMOPCNNLCTUNR-UHFFFAOYSA-N 2 1 291.370 2.345 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC000347895248 218392026 /nfs/dbraw/zinc/39/20/26/218392026.db2.gz DODJDKQIOIPNAE-AWEZNQCLSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@@H]1C[C@@H](C)[NH+](CCOCC[N@H+]2C[C@H](C)C[C@@H]2C)C1 ZINC000489289043 380172330 /nfs/dbraw/zinc/17/23/30/380172330.db2.gz JMVIUYIBAWBCDH-FPCVCCKLSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](CCOCC[NH+]2C[C@H](C)C[C@@H]2C)C1 ZINC000489289043 380172335 /nfs/dbraw/zinc/17/23/35/380172335.db2.gz JMVIUYIBAWBCDH-FPCVCCKLSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCOCC[NH+]2C[C@H](C)C[C@@H]2C)C1 ZINC000489289043 380172337 /nfs/dbraw/zinc/17/23/37/380172337.db2.gz JMVIUYIBAWBCDH-FPCVCCKLSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2Cc3ccccc3C2)CC[N@H+]1C ZINC000334319781 380271851 /nfs/dbraw/zinc/27/18/51/380271851.db2.gz UWORCHVNGAKVHC-SUMWQHHRSA-N 2 1 258.409 2.474 20 0 CEADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+](C)C1CC1 ZINC000546722204 380415945 /nfs/dbraw/zinc/41/59/45/380415945.db2.gz AQJCEBNRZNMXOK-CQSZACIVSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@H+](C)C1CC1 ZINC000546722204 380415952 /nfs/dbraw/zinc/41/59/52/380415952.db2.gz AQJCEBNRZNMXOK-CQSZACIVSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@@H+](C)C1CC1 ZINC000546722204 380415958 /nfs/dbraw/zinc/41/59/58/380415958.db2.gz AQJCEBNRZNMXOK-CQSZACIVSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1noc(C)c1CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334480135 380471107 /nfs/dbraw/zinc/47/11/07/380471107.db2.gz TWIGOUKUOIUPNT-MRXNPFEDSA-N 2 1 277.412 2.252 20 0 CEADMP Cc1noc(C)c1CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334480135 380471113 /nfs/dbraw/zinc/47/11/13/380471113.db2.gz TWIGOUKUOIUPNT-MRXNPFEDSA-N 2 1 277.412 2.252 20 0 CEADMP Cc1noc(C)c1CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334480135 380471117 /nfs/dbraw/zinc/47/11/17/380471117.db2.gz TWIGOUKUOIUPNT-MRXNPFEDSA-N 2 1 277.412 2.252 20 0 CEADMP Cc1noc(C)c1CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334480135 380471125 /nfs/dbraw/zinc/47/11/25/380471125.db2.gz TWIGOUKUOIUPNT-MRXNPFEDSA-N 2 1 277.412 2.252 20 0 CEADMP c1ccc([C@H]2C[C@H]2C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000552064594 380680642 /nfs/dbraw/zinc/68/06/42/380680642.db2.gz AADOIDYMERYNNW-MWDXBVQZSA-N 2 1 256.393 2.474 20 0 CEADMP c1ccc([C@H]2C[C@H]2C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000552064594 380680647 /nfs/dbraw/zinc/68/06/47/380680647.db2.gz AADOIDYMERYNNW-MWDXBVQZSA-N 2 1 256.393 2.474 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000552098399 380684313 /nfs/dbraw/zinc/68/43/13/380684313.db2.gz BBCFEHWXHSAMDU-KRWDZBQOSA-N 2 1 279.472 2.325 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)[C@H](C)C1 ZINC000554117465 380758006 /nfs/dbraw/zinc/75/80/06/380758006.db2.gz GGMUNSMIRHWKNV-QXSJWSMHSA-N 2 1 268.445 2.105 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccncc1F ZINC000556196464 380881769 /nfs/dbraw/zinc/88/17/69/380881769.db2.gz YPOOKHBXHOYIIT-ZJUUUORDSA-N 2 1 260.316 2.152 20 0 CEADMP Cc1cc(F)ccc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000335255451 208039027 /nfs/dbraw/zinc/03/90/27/208039027.db2.gz LLUHYUUEXMMAPT-HNNXBMFYSA-N 2 1 292.398 2.321 20 0 CEADMP Fc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1Br ZINC000335279762 208088907 /nfs/dbraw/zinc/08/89/07/208088907.db2.gz RMAPFZNDOAIYEL-UHFFFAOYSA-N 2 1 287.176 2.430 20 0 CEADMP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCO[C@@H](C)C2)C1 ZINC000389005623 542372260 /nfs/dbraw/zinc/37/22/60/542372260.db2.gz IZSIDXHDSOGQMH-SOUVJXGZSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCO[C@@H](C)C2)C1 ZINC000389005623 542372263 /nfs/dbraw/zinc/37/22/63/542372263.db2.gz IZSIDXHDSOGQMH-SOUVJXGZSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000353862298 220372450 /nfs/dbraw/zinc/37/24/50/220372450.db2.gz CAFMDLWHHBTFRQ-UMVBOHGHSA-N 2 1 272.396 2.153 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000353862298 220372454 /nfs/dbraw/zinc/37/24/54/220372454.db2.gz CAFMDLWHHBTFRQ-UMVBOHGHSA-N 2 1 272.396 2.153 20 0 CEADMP CN(CCC[N@@H+](C)Cc1cccc(F)c1F)CC[NH+](C)C ZINC000288576524 197116910 /nfs/dbraw/zinc/11/69/10/197116910.db2.gz BBODTIKANDWKNJ-UHFFFAOYSA-N 2 1 299.409 2.280 20 0 CEADMP O[C@H]1c2ccccc2C[C@H]1[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182793267 285374046 /nfs/dbraw/zinc/37/40/46/285374046.db2.gz OWBBYAHKQRUZHR-OLMNPRSZSA-N 2 1 286.419 2.062 20 0 CEADMP C[C@@H](C(=O)NCC1([NH+](C)C)CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357117961 533250718 /nfs/dbraw/zinc/25/07/18/533250718.db2.gz POWCUEWXKSUESA-ZNMIVQPWSA-N 2 1 295.471 2.238 20 0 CEADMP Cc1cc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)oc1C ZINC000282200606 291983013 /nfs/dbraw/zinc/98/30/13/291983013.db2.gz NXDIFNIQETUTFD-UONOGXRCSA-N 2 1 279.428 2.183 20 0 CEADMP CC[C@H](C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)OC ZINC000412977225 394449978 /nfs/dbraw/zinc/44/99/78/394449978.db2.gz LBOSBVNWCHFFAA-CQSZACIVSA-N 2 1 265.401 2.100 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H](CC)O1 ZINC000420962100 394455846 /nfs/dbraw/zinc/45/58/46/394455846.db2.gz TXLKQPXQGMCKDL-RRFJBIMHSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H](CC)O1 ZINC000420962100 394455851 /nfs/dbraw/zinc/45/58/51/394455851.db2.gz TXLKQPXQGMCKDL-RRFJBIMHSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H](CC)O1 ZINC000420962098 394456326 /nfs/dbraw/zinc/45/63/26/394456326.db2.gz TXLKQPXQGMCKDL-KFWWJZLASA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@H](CC)O1 ZINC000420962098 394456330 /nfs/dbraw/zinc/45/63/30/394456330.db2.gz TXLKQPXQGMCKDL-KFWWJZLASA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@H](CC)O1 ZINC000420962098 394456333 /nfs/dbraw/zinc/45/63/33/394456333.db2.gz TXLKQPXQGMCKDL-KFWWJZLASA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H](CC)O1 ZINC000420962098 394456336 /nfs/dbraw/zinc/45/63/36/394456336.db2.gz TXLKQPXQGMCKDL-KFWWJZLASA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)[NH+](CCN(C)c1cc[nH+]c(N(C)C)n1)C(C)C ZINC000355590453 394470420 /nfs/dbraw/zinc/47/04/20/394470420.db2.gz WGXOGARKLHQFBQ-UHFFFAOYSA-N 2 1 279.432 2.098 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000226396674 394470469 /nfs/dbraw/zinc/47/04/69/394470469.db2.gz JNCQDSGBXUBRSJ-AWEZNQCLSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000305109944 394492697 /nfs/dbraw/zinc/49/26/97/394492697.db2.gz FKBCWPOOBBGHFZ-XLWJZTARSA-N 2 1 256.434 2.102 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305743804 394510953 /nfs/dbraw/zinc/51/09/53/394510953.db2.gz UCWYZZVXEGARGH-OLZOCXBDSA-N 2 1 294.361 2.106 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305743804 394510958 /nfs/dbraw/zinc/51/09/58/394510958.db2.gz UCWYZZVXEGARGH-OLZOCXBDSA-N 2 1 294.361 2.106 20 0 CEADMP CCC(C)(C)OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000308542957 394528197 /nfs/dbraw/zinc/52/81/97/394528197.db2.gz LWBGSYKOEHKQKV-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP CC1CCC(O)(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000247982655 394536363 /nfs/dbraw/zinc/53/63/63/394536363.db2.gz NDRDAQDYYCSPAP-YZUHTNEWSA-N 2 1 280.456 2.344 20 0 CEADMP CC1CCC(O)(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000247982655 394536367 /nfs/dbraw/zinc/53/63/67/394536367.db2.gz NDRDAQDYYCSPAP-YZUHTNEWSA-N 2 1 280.456 2.344 20 0 CEADMP CC1CCC(O)(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000247982655 394536369 /nfs/dbraw/zinc/53/63/69/394536369.db2.gz NDRDAQDYYCSPAP-YZUHTNEWSA-N 2 1 280.456 2.344 20 0 CEADMP CCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCOCC1 ZINC000311730480 394538594 /nfs/dbraw/zinc/53/85/94/394538594.db2.gz YWLIYMKCSAVZCC-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2NC(C)=O)C1 ZINC000090962127 394656088 /nfs/dbraw/zinc/65/60/88/394656088.db2.gz KMZYYRNXKJFHHJ-AWEZNQCLSA-N 2 1 275.396 2.076 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000091666198 394658345 /nfs/dbraw/zinc/65/83/45/394658345.db2.gz XHEDWFSAIJPEEN-NUEKZKHPSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000091666198 394658348 /nfs/dbraw/zinc/65/83/48/394658348.db2.gz XHEDWFSAIJPEEN-NUEKZKHPSA-N 2 1 266.429 2.408 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532499 394601771 /nfs/dbraw/zinc/60/17/71/394601771.db2.gz AKFJMZZUUUMALO-OKZBNKHCSA-N 2 1 287.451 2.226 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261532499 394601775 /nfs/dbraw/zinc/60/17/75/394601775.db2.gz AKFJMZZUUUMALO-OKZBNKHCSA-N 3 1 287.451 2.226 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532499 394601777 /nfs/dbraw/zinc/60/17/77/394601777.db2.gz AKFJMZZUUUMALO-OKZBNKHCSA-N 3 1 287.451 2.226 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421819693 394604864 /nfs/dbraw/zinc/60/48/64/394604864.db2.gz IMPVLKMIYWJREM-HOCLYGCPSA-N 2 1 273.424 2.260 20 0 CEADMP C[N@H+](CCOCC1CC1)CC[C@@H]1CCCC[NH+]1C ZINC000075860923 394614311 /nfs/dbraw/zinc/61/43/11/394614311.db2.gz ANWFNSLFVAFLNX-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[N@@H+](CCOCC1CC1)CC[C@@H]1CCCC[NH+]1C ZINC000075860923 394614314 /nfs/dbraw/zinc/61/43/14/394614314.db2.gz ANWFNSLFVAFLNX-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CCOCC1CC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860923 394614318 /nfs/dbraw/zinc/61/43/18/394614318.db2.gz ANWFNSLFVAFLNX-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CCOCC1CC1)CC[C@@H]1CCCC[N@H+]1C ZINC000075860923 394614320 /nfs/dbraw/zinc/61/43/20/394614320.db2.gz ANWFNSLFVAFLNX-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCC2(O)CCC2)[C@H]2CCC[C@@H]21 ZINC000421854441 394617099 /nfs/dbraw/zinc/61/70/99/394617099.db2.gz KOIDMXULPYCISI-ILXRZTDVSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@H](NCC(C)(C)[N@H+]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000422705764 394729320 /nfs/dbraw/zinc/72/93/20/394729320.db2.gz SDIPQMRVNUFWDA-AWEZNQCLSA-N 2 1 287.451 2.021 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000422705764 394729324 /nfs/dbraw/zinc/72/93/24/394729324.db2.gz SDIPQMRVNUFWDA-AWEZNQCLSA-N 2 1 287.451 2.021 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CN[C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422737174 394748554 /nfs/dbraw/zinc/74/85/54/394748554.db2.gz HTIUHXVPSJTMQA-RHSMWYFYSA-N 2 1 275.440 2.368 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714562 394735048 /nfs/dbraw/zinc/73/50/48/394735048.db2.gz LAUUIIUMJZUBKL-LZLYRXPVSA-N 2 1 289.467 2.266 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714562 394735050 /nfs/dbraw/zinc/73/50/50/394735050.db2.gz LAUUIIUMJZUBKL-LZLYRXPVSA-N 3 1 289.467 2.266 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714562 394735053 /nfs/dbraw/zinc/73/50/53/394735053.db2.gz LAUUIIUMJZUBKL-LZLYRXPVSA-N 3 1 289.467 2.266 20 0 CEADMP C[C@@H](NCCCCC[NH+]1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000422716472 394737079 /nfs/dbraw/zinc/73/70/79/394737079.db2.gz NFHJTRLAELCXRY-HZPDHXFCSA-N 2 1 267.461 2.373 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000422718643 394738034 /nfs/dbraw/zinc/73/80/34/394738034.db2.gz XDYBVGCFUHSNCX-DOTOQJQBSA-N 2 1 276.424 2.223 20 0 CEADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422718782 394738210 /nfs/dbraw/zinc/73/82/10/394738210.db2.gz QBRKAGLGMKHVSR-FMKPAKJESA-N 2 1 273.424 2.168 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000359084417 394740310 /nfs/dbraw/zinc/74/03/10/394740310.db2.gz QSOVFTKZAAJEJU-UHFFFAOYSA-N 2 1 280.456 2.369 20 0 CEADMP CC[C@H](C[NH2+][C@@H](C)Cc1ccc(OC)nc1)[NH+]1CCCC1 ZINC000414058079 394688249 /nfs/dbraw/zinc/68/82/49/394688249.db2.gz GUTKPCOKZZMKJA-GOEBONIOSA-N 2 1 291.439 2.485 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000422731554 394745477 /nfs/dbraw/zinc/74/54/77/394745477.db2.gz HKGKXPOGMIZEDN-UHFFFAOYSA-N 2 1 275.396 2.076 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c(C)c1 ZINC000414073833 394694779 /nfs/dbraw/zinc/69/47/79/394694779.db2.gz NOJYYZXAROHQMH-GJZGRUSLSA-N 2 1 292.423 2.111 20 0 CEADMP C(C[N@H+]1CCC[C@@]2(CCCOC2)C1)C1CC[NH2+]CC1 ZINC000334600205 394699658 /nfs/dbraw/zinc/69/96/58/394699658.db2.gz CLIKMETZAQWTER-MRXNPFEDSA-N 2 1 266.429 2.269 20 0 CEADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])c1cccc(F)c1 ZINC000422733711 394746326 /nfs/dbraw/zinc/74/63/26/394746326.db2.gz RJGUVVYNTMQJAD-NUEKZKHPSA-N 2 1 279.403 2.145 20 0 CEADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@H]1C[C@@H]1C ZINC000414114254 394706555 /nfs/dbraw/zinc/70/65/55/394706555.db2.gz LKMQWSIDQCAMHS-XIRDDKMYSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1nccs1 ZINC000358032917 394707858 /nfs/dbraw/zinc/70/78/58/394707858.db2.gz DECBDTDYYRBYSS-UPJWGTAASA-N 2 1 267.442 2.394 20 0 CEADMP C[C@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269017036 394707808 /nfs/dbraw/zinc/70/78/08/394707808.db2.gz OOKZZUVVWGXRQL-INMHGKMJSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269017036 394707810 /nfs/dbraw/zinc/70/78/10/394707810.db2.gz OOKZZUVVWGXRQL-INMHGKMJSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc(N(C)C)s2)C[C@H]1C[NH3+] ZINC000422561328 394710854 /nfs/dbraw/zinc/71/08/54/394710854.db2.gz KQRNIZMNEZTPEG-GRYCIOLGSA-N 2 1 282.457 2.014 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000414139238 394714055 /nfs/dbraw/zinc/71/40/55/394714055.db2.gz IBXWXBYBNFVOEW-YIDVYQOGSA-N 2 1 266.429 2.405 20 0 CEADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC000358255914 394714242 /nfs/dbraw/zinc/71/42/42/394714242.db2.gz QYYDGCLEIMUYPP-HOTGVXAUSA-N 2 1 268.445 2.392 20 0 CEADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC000358255914 394714245 /nfs/dbraw/zinc/71/42/45/394714245.db2.gz QYYDGCLEIMUYPP-HOTGVXAUSA-N 2 1 268.445 2.392 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)C1 ZINC000334843067 394714582 /nfs/dbraw/zinc/71/45/82/394714582.db2.gz ATDSTIAXEYVXKP-RYUDHWBXSA-N 2 1 278.787 2.347 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(C)c1 ZINC000358263381 394714890 /nfs/dbraw/zinc/71/48/90/394714890.db2.gz XRFQLQNNGXMZSW-ZBFHGGJFSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(C)c1 ZINC000358263381 394714893 /nfs/dbraw/zinc/71/48/93/394714893.db2.gz XRFQLQNNGXMZSW-ZBFHGGJFSA-N 2 1 262.397 2.021 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422735186 394747426 /nfs/dbraw/zinc/74/74/26/394747426.db2.gz DMTDRXKZCBCAKF-IWCQGFGOSA-N 2 1 273.424 2.291 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422735186 394747428 /nfs/dbraw/zinc/74/74/28/394747428.db2.gz DMTDRXKZCBCAKF-IWCQGFGOSA-N 2 1 273.424 2.291 20 0 CEADMP Cc1cccc2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cn21 ZINC000422634893 394722182 /nfs/dbraw/zinc/72/21/82/394722182.db2.gz KOVQLPRGTJOLSJ-SNPRPXQTSA-N 2 1 286.423 2.448 20 0 CEADMP Cc1cccc2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cn21 ZINC000422634893 394722186 /nfs/dbraw/zinc/72/21/86/394722186.db2.gz KOVQLPRGTJOLSJ-SNPRPXQTSA-N 2 1 286.423 2.448 20 0 CEADMP CN(C)Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1F ZINC000422739934 394750602 /nfs/dbraw/zinc/75/06/02/394750602.db2.gz AUGDRGBCFMGGFG-PBHICJAKSA-N 2 1 293.430 2.494 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422742765 394753342 /nfs/dbraw/zinc/75/33/42/394753342.db2.gz QIOMYJDGZZWYAR-UONOGXRCSA-N 2 1 276.428 2.265 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422742639 394753467 /nfs/dbraw/zinc/75/34/67/394753467.db2.gz SEWYVMQWQXRAKW-TYNCELHUSA-N 2 1 250.361 2.487 20 0 CEADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1C ZINC000335254563 394754059 /nfs/dbraw/zinc/75/40/59/394754059.db2.gz YVOKTKHHTNDSNR-KRWDZBQOSA-N 2 1 288.435 2.491 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CN[C@H]2CCC[C@H]2[NH3+])c1 ZINC000422744396 394754382 /nfs/dbraw/zinc/75/43/82/394754382.db2.gz SUEKUNKRBKDGLR-CVEARBPZSA-N 2 1 261.413 2.108 20 0 CEADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000422744396 394754383 /nfs/dbraw/zinc/75/43/83/394754383.db2.gz SUEKUNKRBKDGLR-CVEARBPZSA-N 3 1 261.413 2.108 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000422744396 394754386 /nfs/dbraw/zinc/75/43/86/394754386.db2.gz SUEKUNKRBKDGLR-CVEARBPZSA-N 3 1 261.413 2.108 20 0 CEADMP C(C[N@H+]1CCCOCC1)N1CCC2(CCCC2)CC1 ZINC000361308358 394822541 /nfs/dbraw/zinc/82/25/41/394822541.db2.gz LJJQPAAHVZKYAH-UHFFFAOYSA-N 2 1 266.429 2.365 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414835342 394761121 /nfs/dbraw/zinc/76/11/21/394761121.db2.gz IJULUHJEAJQCAX-YQQAZPJKSA-N 2 1 275.440 2.267 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414835342 394761125 /nfs/dbraw/zinc/76/11/25/394761125.db2.gz IJULUHJEAJQCAX-YQQAZPJKSA-N 2 1 275.440 2.267 20 0 CEADMP COc1ccc(OC)c(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422757223 394762891 /nfs/dbraw/zinc/76/28/91/394762891.db2.gz IKQBLGDESFXFHC-CJNGLKHVSA-N 2 1 292.423 2.367 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)CC1CCOCC1 ZINC000414954831 394822865 /nfs/dbraw/zinc/82/28/65/394822865.db2.gz NJIQMGNCEYGHQN-GZBFAFLISA-N 2 1 254.418 2.169 20 0 CEADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414850025 394768702 /nfs/dbraw/zinc/76/87/02/394768702.db2.gz RXAHPYVCMONYAF-KBPBESRZSA-N 2 1 275.396 2.054 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000359658979 394768808 /nfs/dbraw/zinc/76/88/08/394768808.db2.gz FTZRXSLCVLVVQP-VHDGCEQUSA-N 2 1 281.469 2.281 20 0 CEADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422765490 394769166 /nfs/dbraw/zinc/76/91/66/394769166.db2.gz WFHVBAPCUOJYJQ-FCLJQHQZSA-N 2 1 273.424 2.162 20 0 CEADMP C[C@H]([NH2+]Cc1cccc2c1OCCCO2)[C@@H]1CCC[NH2+]C1 ZINC000414848262 394769643 /nfs/dbraw/zinc/76/96/43/394769643.db2.gz GFNMBISSWJVPOZ-UONOGXRCSA-N 2 1 290.407 2.326 20 0 CEADMP C[NH+](C)CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000422767617 394769936 /nfs/dbraw/zinc/76/99/36/394769936.db2.gz TWTDYBFFIIKMLJ-IZGVIRRGSA-N 3 1 267.461 2.225 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC2([NH3+])CCCCCC2)[C@@H](C)C1 ZINC000414862134 394776228 /nfs/dbraw/zinc/77/62/28/394776228.db2.gz UVODCDSTZNPIAT-LSDHHAIUSA-N 2 1 267.461 2.358 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)Oc1cccc(F)c1)[C@H]1CCC[NH2+]1 ZINC000422780741 394779445 /nfs/dbraw/zinc/77/94/45/394779445.db2.gz DHIYFSOSUMVOMS-YWPYICTPSA-N 2 1 266.360 2.323 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000414871068 394780623 /nfs/dbraw/zinc/78/06/23/394780623.db2.gz CTCXGOILQOSZCO-LLVKDONJSA-N 2 1 261.394 2.495 20 0 CEADMP CCC[NH2+]CC[NH2+][C@H](C)Cc1ccccc1OC ZINC000414876263 394783360 /nfs/dbraw/zinc/78/33/60/394783360.db2.gz VPVYIYCQUQMYFE-CYBMUJFWSA-N 2 1 250.386 2.215 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000273126397 394784429 /nfs/dbraw/zinc/78/44/29/394784429.db2.gz QOYXPUKCLGJZMM-OAHLLOKOSA-N 2 1 277.343 2.044 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)cc2cccnc12 ZINC000414882016 394786344 /nfs/dbraw/zinc/78/63/44/394786344.db2.gz BJACWPSEYRCSAF-HNNXBMFYSA-N 2 1 255.365 2.370 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1cccc(OCC(F)(F)F)c1)C1CC1 ZINC000414885233 394787687 /nfs/dbraw/zinc/78/76/87/394787687.db2.gz BSBNDFJFTVEXQH-CYBMUJFWSA-N 2 1 288.313 2.455 20 0 CEADMP C[C@@H](CC[NH3+])[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000414885622 394787707 /nfs/dbraw/zinc/78/77/07/394787707.db2.gz OXQVEWBFNSFXKA-LBPRGKRZSA-N 2 1 265.376 2.253 20 0 CEADMP CCCOc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1OC ZINC000414891121 394791798 /nfs/dbraw/zinc/79/17/98/394791798.db2.gz VBTZVIDWQIHWFZ-UHFFFAOYSA-N 2 1 278.396 2.455 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@H]([NH3+])C1CC1 ZINC000414894937 394792254 /nfs/dbraw/zinc/79/22/54/394792254.db2.gz MBGAIUDBSLFEQK-KRWDZBQOSA-N 2 1 289.467 2.472 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422809741 394801394 /nfs/dbraw/zinc/80/13/94/394801394.db2.gz QKJPYRLNXYWBPQ-DLBZAZTESA-N 3 1 273.424 2.252 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000422815655 394807113 /nfs/dbraw/zinc/80/71/13/394807113.db2.gz CEBAZAGMFNSJMC-CJNGLKHVSA-N 2 1 269.392 2.365 20 0 CEADMP Cc1nc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)cs1 ZINC000422818987 394809568 /nfs/dbraw/zinc/80/95/68/394809568.db2.gz LWYDXKHUMXOCJP-SECBINFHSA-N 2 1 262.382 2.152 20 0 CEADMP CC[C@@H]([NH2+]CCOCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422818855 394809749 /nfs/dbraw/zinc/80/97/49/394809749.db2.gz HENKGKZAIAKWFB-CVEARBPZSA-N 2 1 262.397 2.323 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414941463 394814369 /nfs/dbraw/zinc/81/43/69/394814369.db2.gz CQTFNGDPAHUBCY-DOMZBBRYSA-N 2 1 299.422 2.114 20 0 CEADMP CC(C)c1ncc(C[NH2+]C2(C)CC[NH2+]CC2)s1 ZINC000414946622 394816573 /nfs/dbraw/zinc/81/65/73/394816573.db2.gz UIZPFVLEKCLPCC-UHFFFAOYSA-N 2 1 253.415 2.498 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1O ZINC000414950409 394820798 /nfs/dbraw/zinc/82/07/98/394820798.db2.gz HOUSTAWEGUROOH-GZBFAFLISA-N 2 1 292.423 2.452 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422836920 394821583 /nfs/dbraw/zinc/82/15/83/394821583.db2.gz KZCMTIGGRSFQHY-IMJJTQAJSA-N 2 1 293.480 2.430 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000359374642 394750134 /nfs/dbraw/zinc/75/01/34/394750134.db2.gz CGNMZZLUTCIDCG-IUODEOHRSA-N 2 1 250.361 2.298 20 0 CEADMP COc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1C ZINC000415049327 394863847 /nfs/dbraw/zinc/86/38/47/394863847.db2.gz ABLLVIKVEPNMQZ-CQSZACIVSA-N 2 1 250.386 2.467 20 0 CEADMP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422944102 394867551 /nfs/dbraw/zinc/86/75/51/394867551.db2.gz ROMFFCSYRDALPO-CVEARBPZSA-N 2 1 289.423 2.186 20 0 CEADMP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422944103 394867652 /nfs/dbraw/zinc/86/76/52/394867652.db2.gz ROMFFCSYRDALPO-HOTGVXAUSA-N 2 1 289.423 2.186 20 0 CEADMP COCc1cccc(C[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000415065185 394871861 /nfs/dbraw/zinc/87/18/61/394871861.db2.gz MEKLTCZBBRIEKZ-MRXNPFEDSA-N 2 1 262.397 2.440 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1F ZINC000415068230 394873586 /nfs/dbraw/zinc/87/35/86/394873586.db2.gz QUHACXURIHWWFB-AWEZNQCLSA-N 2 1 266.360 2.441 20 0 CEADMP Cc1cccc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)n1 ZINC000423085503 394885526 /nfs/dbraw/zinc/88/55/26/394885526.db2.gz KRSCDZIXDFLLJV-GFCCVEGCSA-N 2 1 256.353 2.091 20 0 CEADMP Clc1ccc2ncc(C[NH2+]CCC[NH2+]C3CC3)n2c1 ZINC000415072574 394876202 /nfs/dbraw/zinc/87/62/02/394876202.db2.gz WVUPMGHYXHZHMS-UHFFFAOYSA-N 2 1 278.787 2.219 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422992129 394876233 /nfs/dbraw/zinc/87/62/33/394876233.db2.gz BYSWQJLQRFAFJQ-ARFHVFGLSA-N 3 1 267.461 2.214 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000415077014 394878074 /nfs/dbraw/zinc/87/80/74/394878074.db2.gz DLUSLICXGLHIPE-AWEZNQCLSA-N 2 1 290.386 2.474 20 0 CEADMP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H](C)C2C[NH2+]C2)c(C)c1 ZINC000423008257 394878659 /nfs/dbraw/zinc/87/86/59/394878659.db2.gz ZPKHTMFJDQNIFK-QAPCUYQASA-N 2 1 298.434 2.439 20 0 CEADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)CCC2 ZINC000423010273 394880135 /nfs/dbraw/zinc/88/01/35/394880135.db2.gz XIENXPDEHAYREM-KKUMJFAQSA-N 2 1 276.428 2.189 20 0 CEADMP COc1cccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1OC ZINC000414969146 394830843 /nfs/dbraw/zinc/83/08/43/394830843.db2.gz JBHOREACDNOXCW-CQSZACIVSA-N 2 1 278.396 2.182 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000415084937 394882802 /nfs/dbraw/zinc/88/28/02/394882802.db2.gz PGIOLBPCIWJRGZ-DOMZBBRYSA-N 2 1 275.396 2.265 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422858507 394833320 /nfs/dbraw/zinc/83/33/20/394833320.db2.gz IVHXNXQODKLNQH-CQSZACIVSA-N 3 1 275.440 2.224 20 0 CEADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)C1C[NH2+]C1 ZINC000422858507 394833323 /nfs/dbraw/zinc/83/33/23/394833323.db2.gz IVHXNXQODKLNQH-CQSZACIVSA-N 2 1 275.440 2.224 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)C1C[NH2+]C1 ZINC000422858507 394833327 /nfs/dbraw/zinc/83/33/27/394833327.db2.gz IVHXNXQODKLNQH-CQSZACIVSA-N 2 1 275.440 2.224 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[N@@H+]1CCCC[C@H]1C ZINC000422858730 394834144 /nfs/dbraw/zinc/83/41/44/394834144.db2.gz JBRSRHIOVLERLN-ZIAGYGMSSA-N 2 1 290.455 2.374 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[N@H+]1CCCC[C@H]1C ZINC000422858730 394834148 /nfs/dbraw/zinc/83/41/48/394834148.db2.gz JBRSRHIOVLERLN-ZIAGYGMSSA-N 2 1 290.455 2.374 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422860501 394834806 /nfs/dbraw/zinc/83/48/06/394834806.db2.gz MOZCOUXBJIXSOH-COXVUDFISA-N 2 1 273.424 2.453 20 0 CEADMP C[C@@H](N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422864369 394836794 /nfs/dbraw/zinc/83/67/94/394836794.db2.gz UVJMVWWIYUBBGT-IJEWVQPXSA-N 2 1 265.445 2.124 20 0 CEADMP CCO[C@H](CC[NH+](C)C)CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422867247 394838329 /nfs/dbraw/zinc/83/83/29/394838329.db2.gz RUUYUXWKFGVWOU-XYPHTWIQSA-N 2 1 291.439 2.078 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422868744 394839619 /nfs/dbraw/zinc/83/96/19/394839619.db2.gz VUCFFTMGKHCSAH-IAGOWNOFSA-N 2 1 275.440 2.496 20 0 CEADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422868744 394839620 /nfs/dbraw/zinc/83/96/20/394839620.db2.gz VUCFFTMGKHCSAH-IAGOWNOFSA-N 3 1 275.440 2.496 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422868744 394839624 /nfs/dbraw/zinc/83/96/24/394839624.db2.gz VUCFFTMGKHCSAH-IAGOWNOFSA-N 3 1 275.440 2.496 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)N[C@H]2CC[NH2+]C2)cc1 ZINC000422868926 394840629 /nfs/dbraw/zinc/84/06/29/394840629.db2.gz VWOJBIDORFXUTG-DOMZBBRYSA-N 2 1 270.380 2.193 20 0 CEADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000414999929 394843096 /nfs/dbraw/zinc/84/30/96/394843096.db2.gz KWHIPJOZKSXLTL-FRRDWIJNSA-N 2 1 258.356 2.400 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)[C@H](C)[NH3+] ZINC000415007612 394846041 /nfs/dbraw/zinc/84/60/41/394846041.db2.gz LTSIIJLBNAMLMA-VHSXEESVSA-N 2 1 276.302 2.453 20 0 CEADMP C[C@@H](NCCCC[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422884668 394849421 /nfs/dbraw/zinc/84/94/21/394849421.db2.gz SOEOSHGTYZTWAF-CVEARBPZSA-N 2 1 267.461 2.229 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000422887803 394851488 /nfs/dbraw/zinc/85/14/88/394851488.db2.gz ZNVGPORJAYKLNZ-JQFCIGGWSA-N 2 1 288.439 2.126 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000422887803 394851492 /nfs/dbraw/zinc/85/14/92/394851492.db2.gz ZNVGPORJAYKLNZ-JQFCIGGWSA-N 2 1 288.439 2.126 20 0 CEADMP Cc1nc(C)c(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000422889675 394851904 /nfs/dbraw/zinc/85/19/04/394851904.db2.gz QDGIHGDNQUONQZ-CABZTGNLSA-N 2 1 253.415 2.033 20 0 CEADMP CC(C)c1csc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000422893358 394852772 /nfs/dbraw/zinc/85/27/72/394852772.db2.gz QFOSXEQFPTZRCL-MNOVXSKESA-N 2 1 253.415 2.484 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000422906135 394857295 /nfs/dbraw/zinc/85/72/95/394857295.db2.gz JFQQJUVEBPQEPL-RRFJBIMHSA-N 2 1 263.429 2.222 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422906135 394857297 /nfs/dbraw/zinc/85/72/97/394857297.db2.gz JFQQJUVEBPQEPL-RRFJBIMHSA-N 2 1 263.429 2.222 20 0 CEADMP CCCn1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415041837 394860633 /nfs/dbraw/zinc/86/06/33/394860633.db2.gz LUJRWFVVJXKXGV-HOTGVXAUSA-N 2 1 276.428 2.257 20 0 CEADMP CCCn1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415041837 394860637 /nfs/dbraw/zinc/86/06/37/394860637.db2.gz LUJRWFVVJXKXGV-HOTGVXAUSA-N 2 1 276.428 2.257 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422913057 394860698 /nfs/dbraw/zinc/86/06/98/394860698.db2.gz XOHUPDYHJYBQMZ-JQHSSLGASA-N 2 1 289.467 2.409 20 0 CEADMP CC(C)n1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415041238 394860677 /nfs/dbraw/zinc/86/06/77/394860677.db2.gz LFGUUXXNOYVPPH-JKSUJKDBSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415041238 394860680 /nfs/dbraw/zinc/86/06/80/394860680.db2.gz LFGUUXXNOYVPPH-JKSUJKDBSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422913424 394860799 /nfs/dbraw/zinc/86/07/99/394860799.db2.gz QBOJABQYSLCBJJ-IRXDYDNUSA-N 2 1 275.440 2.496 20 0 CEADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422913424 394860804 /nfs/dbraw/zinc/86/08/04/394860804.db2.gz QBOJABQYSLCBJJ-IRXDYDNUSA-N 3 1 275.440 2.496 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422913424 394860806 /nfs/dbraw/zinc/86/08/06/394860806.db2.gz QBOJABQYSLCBJJ-IRXDYDNUSA-N 3 1 275.440 2.496 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000336534902 394862142 /nfs/dbraw/zinc/86/21/42/394862142.db2.gz GGCIBVJYBVNFNU-QGZVFWFLSA-N 2 1 287.407 2.221 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000336534902 394862145 /nfs/dbraw/zinc/86/21/45/394862145.db2.gz GGCIBVJYBVNFNU-QGZVFWFLSA-N 2 1 287.407 2.221 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000423109392 394886639 /nfs/dbraw/zinc/88/66/39/394886639.db2.gz NRJANLRAIHFJMZ-IXOXFDKPSA-N 2 1 254.324 2.188 20 0 CEADMP COCc1ccccc1C[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415093820 394886875 /nfs/dbraw/zinc/88/68/75/394886875.db2.gz WDLZLEYSEIBGFV-OAHLLOKOSA-N 2 1 250.386 2.296 20 0 CEADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423228034 394888009 /nfs/dbraw/zinc/88/80/09/394888009.db2.gz XYWXJTLKWHEPLY-IMJJTQAJSA-N 2 1 261.413 2.149 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423216323 394888163 /nfs/dbraw/zinc/88/81/63/394888163.db2.gz RQCXFASQIYVUDJ-SZMVWBNQSA-N 2 1 287.451 2.411 20 0 CEADMP CN1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423216323 394888171 /nfs/dbraw/zinc/88/81/71/394888171.db2.gz RQCXFASQIYVUDJ-SZMVWBNQSA-N 2 1 287.451 2.411 20 0 CEADMP COC(=O)C1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000415093965 394888341 /nfs/dbraw/zinc/88/83/41/394888341.db2.gz DACFNMRPTHRHCK-HUUCEWRRSA-N 2 1 288.391 2.023 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423216322 394888443 /nfs/dbraw/zinc/88/84/43/394888443.db2.gz RQCXFASQIYVUDJ-RYQLBKOJSA-N 2 1 287.451 2.411 20 0 CEADMP CN1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423216322 394888445 /nfs/dbraw/zinc/88/84/45/394888445.db2.gz RQCXFASQIYVUDJ-RYQLBKOJSA-N 2 1 287.451 2.411 20 0 CEADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]([NH3+])C(C)C)CC2 ZINC000423280729 394888843 /nfs/dbraw/zinc/88/88/43/394888843.db2.gz UMJCNZQXKUGVNM-UONOGXRCSA-N 2 1 278.396 2.264 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C(C)C ZINC000130547147 394889741 /nfs/dbraw/zinc/88/97/41/394889741.db2.gz FOAILMKDNZRJIN-UHFFFAOYSA-N 2 1 291.439 2.208 20 0 CEADMP COC(=O)[C@](C)(C[NH2+]C[C@H]([NH3+])CC(C)C)c1ccccc1 ZINC000415116037 394894234 /nfs/dbraw/zinc/89/42/34/394894234.db2.gz YXRGJMUPKWKIRU-NVXWUHKLSA-N 2 1 292.423 2.080 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CC2([NH3+])CCC2)ccc1F ZINC000423339702 394891329 /nfs/dbraw/zinc/89/13/29/394891329.db2.gz WTKAQPOPFKAOQB-SNVBAGLBSA-N 2 1 252.333 2.366 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(F)c(CN(C)C)c2)CC[NH2+]1 ZINC000415111567 394893435 /nfs/dbraw/zinc/89/34/35/394893435.db2.gz RENWQSKJAPHJNR-HIFRSBDPSA-N 2 1 293.430 2.365 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccccc1Cn1cccn1 ZINC000415109519 394893596 /nfs/dbraw/zinc/89/35/96/394893596.db2.gz PQLGTQDJHYTRIA-KRWDZBQOSA-N 2 1 286.423 2.394 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCNC[C@H]2c2ccccc2)CC[NH2+]1 ZINC000415121406 394896357 /nfs/dbraw/zinc/89/63/57/394896357.db2.gz HCLZZIRRUSWEEL-INMHGKMJSA-N 2 1 273.424 2.021 20 0 CEADMP C[C@@H]1C[C@H](CN2CC[NH2+]C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000415121406 394896359 /nfs/dbraw/zinc/89/63/59/394896359.db2.gz HCLZZIRRUSWEEL-INMHGKMJSA-N 2 1 273.424 2.021 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)CCO1 ZINC000415125521 394897899 /nfs/dbraw/zinc/89/78/99/394897899.db2.gz LJJLATDQZANCNE-KBUPBQIOSA-N 2 1 254.418 2.108 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1C ZINC000415124314 394898033 /nfs/dbraw/zinc/89/80/33/394898033.db2.gz KCAACEGUKJVENU-SWLSCSKDSA-N 2 1 262.397 2.420 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1(CC)CC ZINC000423353417 394898095 /nfs/dbraw/zinc/89/80/95/394898095.db2.gz DBYVGXKXIAPQKC-MCIONIFRSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@@H](C[NH3+])N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423362996 394901386 /nfs/dbraw/zinc/90/13/86/394901386.db2.gz IQLVZRKPEPRHOC-LEUOFYLZSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423365834 394902320 /nfs/dbraw/zinc/90/23/20/394902320.db2.gz BYXPQWYDXAOHFC-LXFSFDBISA-N 2 1 264.413 2.064 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423365700 394902355 /nfs/dbraw/zinc/90/23/55/394902355.db2.gz PKWPVRTTZVWGEV-LJIZCISZSA-N 2 1 266.429 2.169 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000364476425 394907788 /nfs/dbraw/zinc/90/77/88/394907788.db2.gz DRDNRRHZYGPIMI-HZPDHXFCSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423389683 394910519 /nfs/dbraw/zinc/91/05/19/394910519.db2.gz JKSAEKCHTXIIAK-SLEUVZQESA-N 2 1 266.360 2.230 20 0 CEADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nnn1-c1ccccc1 ZINC000423396109 394913920 /nfs/dbraw/zinc/91/39/20/394913920.db2.gz SFRYHQWHCCHEFD-CFVMTHIKSA-N 2 1 299.422 2.496 20 0 CEADMP CC(C)(C)c1ncc(C[NH2+][C@H]2CCc3[nH]cnc3C2)cn1 ZINC000365613414 394929471 /nfs/dbraw/zinc/92/94/71/394929471.db2.gz PQIGJRJGJBGCAB-LBPRGKRZSA-N 2 1 285.395 2.144 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@@H](C)C2 ZINC000423488124 394933048 /nfs/dbraw/zinc/93/30/48/394933048.db2.gz DLEKCZGITIRROP-JLJPHGGASA-N 2 1 274.408 2.196 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)[C@H](C)C2 ZINC000423488120 394933343 /nfs/dbraw/zinc/93/33/43/394933343.db2.gz DLEKCZGITIRROP-FRFSOERESA-N 2 1 274.408 2.196 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(C)c1 ZINC000423490077 394934374 /nfs/dbraw/zinc/93/43/74/394934374.db2.gz HMDTYYQMLNTJTF-HOTGVXAUSA-N 2 1 262.397 2.414 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000423505148 394939073 /nfs/dbraw/zinc/93/90/73/394939073.db2.gz NWCKPQBCPZATQX-WOPDTQHZSA-N 2 1 280.334 2.203 20 0 CEADMP C[C@@H]([C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C)C1CCCCC1 ZINC000423509711 394941862 /nfs/dbraw/zinc/94/18/62/394941862.db2.gz IXUBLHGVGUFYRF-DZKIICNBSA-N 2 1 267.461 2.085 20 0 CEADMP CC[C@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1CCOC1 ZINC000133276605 394948137 /nfs/dbraw/zinc/94/81/37/394948137.db2.gz JFURVQMMQFOPAK-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1CCOC1 ZINC000133276605 394948140 /nfs/dbraw/zinc/94/81/40/394948140.db2.gz JFURVQMMQFOPAK-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CCCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000423557713 394951836 /nfs/dbraw/zinc/95/18/36/394951836.db2.gz NOKJJUDGDVAVMZ-KBAYOESNSA-N 2 1 287.451 2.381 20 0 CEADMP COCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340208478 394980656 /nfs/dbraw/zinc/98/06/56/394980656.db2.gz JSTXESHYMQEJED-IAGOWNOFSA-N 2 1 292.423 2.075 20 0 CEADMP COCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340208478 394980660 /nfs/dbraw/zinc/98/06/60/394980660.db2.gz JSTXESHYMQEJED-IAGOWNOFSA-N 2 1 292.423 2.075 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCCCO)C[C@@H]1c1ccccc1 ZINC000340371408 394984854 /nfs/dbraw/zinc/98/48/54/394984854.db2.gz LGCOVHMTKSTYHI-JKSUJKDBSA-N 2 1 262.397 2.184 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCCO)C[C@@H]1c1ccccc1 ZINC000340371408 394984858 /nfs/dbraw/zinc/98/48/58/394984858.db2.gz LGCOVHMTKSTYHI-JKSUJKDBSA-N 2 1 262.397 2.184 20 0 CEADMP C[C@@H](C[NH+](C)[C@@H]1CCSC1)C[N@@H+](C)[C@H]1CCSC1 ZINC000340728834 394990139 /nfs/dbraw/zinc/99/01/39/394990139.db2.gz SQVIEDYVDBROQT-BTTYYORXSA-N 2 1 288.526 2.497 20 0 CEADMP C[C@H](C[NH+](C)[C@H]1CCSC1)C[N@H+](C)[C@@H]1CCSC1 ZINC000340728834 394990142 /nfs/dbraw/zinc/99/01/42/394990142.db2.gz SQVIEDYVDBROQT-BTTYYORXSA-N 2 1 288.526 2.497 20 0 CEADMP C[C@H](C[NH+](C)[C@H]1CCSC1)C[N@@H+](C)[C@@H]1CCSC1 ZINC000340728834 394990146 /nfs/dbraw/zinc/99/01/46/394990146.db2.gz SQVIEDYVDBROQT-BTTYYORXSA-N 2 1 288.526 2.497 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)C[C@@H]21 ZINC000342079815 395009652 /nfs/dbraw/zinc/00/96/52/395009652.db2.gz FFXZHIDJEOFJBU-VNQPRFMTSA-N 2 1 297.402 2.500 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CCO1 ZINC000339429268 394960158 /nfs/dbraw/zinc/96/01/58/394960158.db2.gz RDMPRPXBQSRXDI-OWCLPIDISA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)CCO1 ZINC000339429268 394960159 /nfs/dbraw/zinc/96/01/59/394960159.db2.gz RDMPRPXBQSRXDI-OWCLPIDISA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)CCO1 ZINC000339429268 394960161 /nfs/dbraw/zinc/96/01/61/394960161.db2.gz RDMPRPXBQSRXDI-OWCLPIDISA-N 2 1 266.429 2.219 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000423752632 394975822 /nfs/dbraw/zinc/97/58/22/394975822.db2.gz AYANTNROBAXLRQ-JONQDZQNSA-N 2 1 295.471 2.144 20 0 CEADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cn1 ZINC000436234194 395100408 /nfs/dbraw/zinc/10/04/08/395100408.db2.gz XAADLZGSUGYETE-LBPRGKRZSA-N 2 1 274.368 2.021 20 0 CEADMP CCO[C@@H]1C[C@H]([N@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346310650 395094336 /nfs/dbraw/zinc/09/43/36/395094336.db2.gz NEHKGSRYCHBRSN-UONOGXRCSA-N 2 1 265.401 2.327 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346310650 395094341 /nfs/dbraw/zinc/09/43/41/395094341.db2.gz NEHKGSRYCHBRSN-UONOGXRCSA-N 2 1 265.401 2.327 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNCc2cncc(F)c2)C1 ZINC000494545254 395119377 /nfs/dbraw/zinc/11/93/77/395119377.db2.gz FYBMEHJAOSFUJJ-LBPRGKRZSA-N 2 1 251.349 2.042 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000494545254 395119381 /nfs/dbraw/zinc/11/93/81/395119381.db2.gz FYBMEHJAOSFUJJ-LBPRGKRZSA-N 2 1 251.349 2.042 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000494545254 395119384 /nfs/dbraw/zinc/11/93/84/395119384.db2.gz FYBMEHJAOSFUJJ-LBPRGKRZSA-N 2 1 251.349 2.042 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494656339 395132765 /nfs/dbraw/zinc/13/27/65/395132765.db2.gz OFJNWHOXUPQZDP-QXSJWSMHSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427323850 395104708 /nfs/dbraw/zinc/10/47/08/395104708.db2.gz XWYCIARDLXOKPL-XHSDSOJGSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@H](C(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C)[NH+](CC)CC ZINC000346780886 395107660 /nfs/dbraw/zinc/10/76/60/395107660.db2.gz XACKKHAVUZQYJE-RRFJBIMHSA-N 2 1 283.460 2.048 20 0 CEADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCO1 ZINC000346874636 395111969 /nfs/dbraw/zinc/11/19/69/395111969.db2.gz PAECCJWADAYENS-TUVASFSCSA-N 2 1 254.418 2.121 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348263080 395141402 /nfs/dbraw/zinc/14/14/02/395141402.db2.gz SBOUKEZDJLKXKP-DLBZAZTESA-N 2 1 276.424 2.348 20 0 CEADMP CCn1cncc1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000417947977 395160646 /nfs/dbraw/zinc/16/06/46/395160646.db2.gz HEORVCVIUJRJLM-OAHLLOKOSA-N 2 1 278.444 2.361 20 0 CEADMP CCn1cncc1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000417947977 395160651 /nfs/dbraw/zinc/16/06/51/395160651.db2.gz HEORVCVIUJRJLM-OAHLLOKOSA-N 2 1 278.444 2.361 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000379243805 395161835 /nfs/dbraw/zinc/16/18/35/395161835.db2.gz YAUXIRJBNVUUGY-JKSUJKDBSA-N 2 1 260.381 2.060 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000430594624 395165663 /nfs/dbraw/zinc/16/56/63/395165663.db2.gz RXYWALPXKAZGQC-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381224536 395173365 /nfs/dbraw/zinc/17/33/65/395173365.db2.gz WVNNZSKLQWTBOX-OWCLPIDISA-N 2 1 278.440 2.410 20 0 CEADMP Cn1nccc1[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351635688 395228836 /nfs/dbraw/zinc/22/88/36/395228836.db2.gz XXBIWNRUDAGJSI-HOTGVXAUSA-N 2 1 290.455 2.474 20 0 CEADMP Cn1nccc1[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351635688 395228838 /nfs/dbraw/zinc/22/88/38/395228838.db2.gz XXBIWNRUDAGJSI-HOTGVXAUSA-N 2 1 290.455 2.474 20 0 CEADMP Cn1nccc1[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351635688 395228842 /nfs/dbraw/zinc/22/88/42/395228842.db2.gz XXBIWNRUDAGJSI-HOTGVXAUSA-N 2 1 290.455 2.474 20 0 CEADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000181607050 395220430 /nfs/dbraw/zinc/22/04/30/395220430.db2.gz XTEBYWGLJLKSPE-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000186735654 395294990 /nfs/dbraw/zinc/29/49/90/395294990.db2.gz ARHMDJWVZVNECF-JYJNAYRXSA-N 2 1 267.461 2.323 20 0 CEADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353389844 395295914 /nfs/dbraw/zinc/29/59/14/395295914.db2.gz XRNOKHANSALNCD-RRFJBIMHSA-N 2 1 254.418 2.264 20 0 CEADMP c1cc(CCC[NH+]2CCC([NH2+]CC3CC3)CC2)ccn1 ZINC000420288574 395296794 /nfs/dbraw/zinc/29/67/94/395296794.db2.gz JGZCTFSFPRNUAB-UHFFFAOYSA-N 2 1 273.424 2.478 20 0 CEADMP Cn1c(NCCC[C@@H]2CCC[NH2+]2)[nH+]c2cccc(F)c21 ZINC000420288275 395297202 /nfs/dbraw/zinc/29/72/02/395297202.db2.gz RXPLYWWOJIWBAC-NSHDSACASA-N 2 1 276.359 2.078 20 0 CEADMP [NH3+]CCCOC1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000420291919 395299072 /nfs/dbraw/zinc/29/90/72/395299072.db2.gz OMZXWEFIMANYFX-UHFFFAOYSA-N 2 1 295.452 2.350 20 0 CEADMP C(C[N@H+]1CCC[C@@H]1CC1CCCCC1)N1CC[NH2+]CC1 ZINC000420294574 395300258 /nfs/dbraw/zinc/30/02/58/395300258.db2.gz BGZOCJZSZQRDIM-QGZVFWFLSA-N 2 1 279.472 2.326 20 0 CEADMP COc1ccc([C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420296730 395302104 /nfs/dbraw/zinc/30/21/04/395302104.db2.gz DRFCTLFSCRIZEM-HOCLYGCPSA-N 2 1 274.408 2.484 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000353616991 395303284 /nfs/dbraw/zinc/30/32/84/395303284.db2.gz CKPOFIAXUIMCLU-KKUMJFAQSA-N 2 1 266.429 2.266 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353631577 395303365 /nfs/dbraw/zinc/30/33/65/395303365.db2.gz MBGVVZZDODHLRP-YIDVYQOGSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420299243 395303773 /nfs/dbraw/zinc/30/37/73/395303773.db2.gz IMVBVTLIMDXBCE-BFYDXBDKSA-N 2 1 274.408 2.448 20 0 CEADMP COc1cc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cc(OC)c1 ZINC000420300528 395305510 /nfs/dbraw/zinc/30/55/10/395305510.db2.gz HYCKFRLUNIYEII-ZDUSSCGKSA-N 2 1 278.396 2.135 20 0 CEADMP CO[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037318650 285632292 /nfs/dbraw/zinc/63/22/92/285632292.db2.gz FNGWQXKKRMIZOM-LSDHHAIUSA-N 2 1 252.402 2.160 20 0 CEADMP CC[C@@H](C)[N@@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420299445 395305889 /nfs/dbraw/zinc/30/58/89/395305889.db2.gz GNXVLCIMTSBZOW-OCCSQVGLSA-N 2 1 250.386 2.468 20 0 CEADMP C(C[N@H+]1CCS[C@@H]2CCCC[C@H]21)[C@H]1CC[NH2+]C1 ZINC000420299261 395305956 /nfs/dbraw/zinc/30/59/56/395305956.db2.gz IOTGNTKKGQTGPB-MGPQQGTHSA-N 2 1 254.443 2.346 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1 ZINC000420300954 395306067 /nfs/dbraw/zinc/30/60/67/395306067.db2.gz IEWPTGPRUVBUGE-DZGCQCFKSA-N 2 1 292.423 2.237 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H](C)OC(C)(C)C2)cc1 ZINC000420300954 395306073 /nfs/dbraw/zinc/30/60/73/395306073.db2.gz IEWPTGPRUVBUGE-DZGCQCFKSA-N 2 1 292.423 2.237 20 0 CEADMP COc1cccc(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000420304463 395309931 /nfs/dbraw/zinc/30/99/31/395309931.db2.gz IXQPDXFUQUSHAR-UHFFFAOYSA-N 2 1 290.407 2.150 20 0 CEADMP OCCC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000420309021 395312943 /nfs/dbraw/zinc/31/29/43/395312943.db2.gz STOYZUIGAJFCKU-CRAIPNDOSA-N 2 1 288.435 2.358 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cn3)C[C@@H]12 ZINC000420315174 395318565 /nfs/dbraw/zinc/31/85/65/395318565.db2.gz WPDVHNJOQJNPOP-OASPWFOLSA-N 2 1 285.313 2.270 20 0 CEADMP [NH3+]CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC1CCCC1 ZINC000420316766 395320194 /nfs/dbraw/zinc/32/01/94/395320194.db2.gz NQKRASVMQPZFQB-HNNXBMFYSA-N 3 1 267.461 2.217 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000420318331 395322013 /nfs/dbraw/zinc/32/20/13/395322013.db2.gz NXYKMXFRIRJZHW-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000420318331 395322019 /nfs/dbraw/zinc/32/20/19/395322019.db2.gz NXYKMXFRIRJZHW-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000420318331 395322024 /nfs/dbraw/zinc/32/20/24/395322024.db2.gz NXYKMXFRIRJZHW-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000420318331 395322032 /nfs/dbraw/zinc/32/20/32/395322032.db2.gz NXYKMXFRIRJZHW-PMPSAXMXSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000420318331 395322036 /nfs/dbraw/zinc/32/20/36/395322036.db2.gz NXYKMXFRIRJZHW-PMPSAXMXSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CO1 ZINC000401826779 395263535 /nfs/dbraw/zinc/26/35/35/395263535.db2.gz MGLYKWYITVYAOD-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000420373894 395360069 /nfs/dbraw/zinc/36/00/69/395360069.db2.gz ZMZYPRJHRQHIID-ZDUSSCGKSA-N 2 1 281.375 2.117 20 0 CEADMP Cn1nccc1[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420375827 395361923 /nfs/dbraw/zinc/36/19/23/395361923.db2.gz PTQDIJWSSNAOPW-GOEBONIOSA-N 2 1 276.428 2.337 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000420379431 395364537 /nfs/dbraw/zinc/36/45/37/395364537.db2.gz QYTTYNAEYLZPIU-RDJZCZTQSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000420379431 395364543 /nfs/dbraw/zinc/36/45/43/395364543.db2.gz QYTTYNAEYLZPIU-RDJZCZTQSA-N 2 1 295.471 2.096 20 0 CEADMP [NH3+]CCOCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000420381499 395366416 /nfs/dbraw/zinc/36/64/16/395366416.db2.gz XKRYRZWSYWNOLE-LLVKDONJSA-N 2 1 280.334 2.016 20 0 CEADMP CC(C)OCCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420395092 395369321 /nfs/dbraw/zinc/36/93/21/395369321.db2.gz KTPSQXAGPFQPFI-CABCVRRESA-N 2 1 254.418 2.266 20 0 CEADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)nc1 ZINC000355218437 395370504 /nfs/dbraw/zinc/37/05/04/395370504.db2.gz IQSMYNMZGIUYGX-BRWVUGGUSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)nc1 ZINC000355218437 395370507 /nfs/dbraw/zinc/37/05/07/395370507.db2.gz IQSMYNMZGIUYGX-BRWVUGGUSA-N 2 1 289.423 2.074 20 0 CEADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000420416216 395375542 /nfs/dbraw/zinc/37/55/42/395375542.db2.gz VKMFKLQSYMQQPD-STQMWFEESA-N 2 1 293.386 2.071 20 0 CEADMP CC[N@H+](CC(=O)N(CC(C)C)C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000435622615 395378900 /nfs/dbraw/zinc/37/89/00/395378900.db2.gz DUTMZTSKAUBDRW-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](CC(=O)N(CC(C)C)C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000435622615 395378901 /nfs/dbraw/zinc/37/89/01/395378901.db2.gz DUTMZTSKAUBDRW-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)n1 ZINC000441261608 395383836 /nfs/dbraw/zinc/38/38/36/395383836.db2.gz UTDVMKIWWYNGBJ-GVDBMIGSSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)n1 ZINC000441261608 395383838 /nfs/dbraw/zinc/38/38/38/395383838.db2.gz UTDVMKIWWYNGBJ-GVDBMIGSSA-N 2 1 289.423 2.074 20 0 CEADMP C[N@H+]1C[C@H]2CN(c3cc[nH+]c4ccsc43)C[C@H]2C1 ZINC000192806793 395393866 /nfs/dbraw/zinc/39/38/66/395393866.db2.gz OPLJWMBUIFNUOW-PHIMTYICSA-N 2 1 259.378 2.294 20 0 CEADMP C[N@@H+]1C[C@H]2CN(c3cc[nH+]c4ccsc43)C[C@H]2C1 ZINC000192806793 395393868 /nfs/dbraw/zinc/39/38/68/395393868.db2.gz OPLJWMBUIFNUOW-PHIMTYICSA-N 2 1 259.378 2.294 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420327383 395329473 /nfs/dbraw/zinc/32/94/73/395329473.db2.gz YPTAHTXUOYAQIV-IXXDHKBRSA-N 2 1 252.402 2.160 20 0 CEADMP c1ccc2c(c1)CC[C@@H]2[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420327336 395329828 /nfs/dbraw/zinc/32/98/28/395329828.db2.gz YILACCHLVOBUEP-SFHVURJKSA-N 2 1 285.435 2.044 20 0 CEADMP C[C@H](c1cccnc1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330918 395330815 /nfs/dbraw/zinc/33/08/15/395330815.db2.gz QGPVMBJWGUNEJT-VNQPRFMTSA-N 2 1 259.397 2.464 20 0 CEADMP CCOC(=O)CCCCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420360704 395346708 /nfs/dbraw/zinc/34/67/08/395346708.db2.gz HIZWIJJHKAIPMT-VNHYZAJKSA-N 2 1 270.417 2.086 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC(F)(F)C1 ZINC000529532267 395397297 /nfs/dbraw/zinc/39/72/97/395397297.db2.gz HZXLHAITGDLQLB-MNOVXSKESA-N 2 1 258.356 2.494 20 0 CEADMP CC(C)C[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000445406067 395463546 /nfs/dbraw/zinc/46/35/46/395463546.db2.gz VZFMNJWYZQBWJC-IKGGRYGDSA-N 2 1 281.488 2.379 20 0 CEADMP CCC(C)(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436064446 395405397 /nfs/dbraw/zinc/40/53/97/395405397.db2.gz ZKBPUIBORRFCQX-CQSZACIVSA-N 2 1 283.460 2.132 20 0 CEADMP CC[N@@H+]1C[C@@H](C)[C@H](NCC[NH+]2CCCC(C)(C)C2)C1 ZINC000444030946 395412970 /nfs/dbraw/zinc/41/29/70/395412970.db2.gz LJJANFPVPXYLFD-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](NCC[NH+]2CCCC(C)(C)C2)C1 ZINC000444030946 395412972 /nfs/dbraw/zinc/41/29/72/395412972.db2.gz LJJANFPVPXYLFD-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1C[C@@H](C)[C@H](NCC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000444030946 395412976 /nfs/dbraw/zinc/41/29/76/395412976.db2.gz LJJANFPVPXYLFD-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1C[C@@H](C)[C@H](NCC[N@H+]2CCCC(C)(C)C2)C1 ZINC000444030946 395412977 /nfs/dbraw/zinc/41/29/77/395412977.db2.gz LJJANFPVPXYLFD-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+](CC)[C@@H](C)CN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000355327855 395413505 /nfs/dbraw/zinc/41/35/05/395413505.db2.gz GWTVHDPWADARTL-ILXRZTDVSA-N 2 1 255.450 2.037 20 0 CEADMP Cc1cc(CNCCCCNc2ccccn2)no1 ZINC000448549601 395514537 /nfs/dbraw/zinc/51/45/37/395514537.db2.gz COODPNCTMPQJNV-UHFFFAOYSA-N 2 1 260.341 2.360 20 0 CEADMP Cc1ncc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)n1C ZINC000566496612 395531523 /nfs/dbraw/zinc/53/15/23/395531523.db2.gz KBDQXQFYVUWFKB-ZDUSSCGKSA-N 2 1 264.417 2.083 20 0 CEADMP CCn1c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])nc2ccccc21 ZINC000565596623 395477608 /nfs/dbraw/zinc/47/76/08/395477608.db2.gz FQDSLEKZDHATRD-VXGBXAGGSA-N 2 1 260.385 2.272 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446067651 395481149 /nfs/dbraw/zinc/48/11/49/395481149.db2.gz BIAHRPZSSWBPAV-AVGNSLFASA-N 2 1 251.374 2.079 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446067651 395481152 /nfs/dbraw/zinc/48/11/52/395481152.db2.gz BIAHRPZSSWBPAV-AVGNSLFASA-N 2 1 251.374 2.079 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000565950820 395492464 /nfs/dbraw/zinc/49/24/64/395492464.db2.gz LADUIJVYAMHBIV-UWVGGRQHSA-N 2 1 251.399 2.190 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc(C2CC2)s1 ZINC000565950820 395492466 /nfs/dbraw/zinc/49/24/66/395492466.db2.gz LADUIJVYAMHBIV-UWVGGRQHSA-N 2 1 251.399 2.190 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC[NH+]2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000446849603 395500806 /nfs/dbraw/zinc/50/08/06/395500806.db2.gz ZSLQFUFENVJIAN-JKSUJKDBSA-N 2 1 281.488 2.428 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@@H+]2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000446849603 395500807 /nfs/dbraw/zinc/50/08/07/395500807.db2.gz ZSLQFUFENVJIAN-JKSUJKDBSA-N 2 1 281.488 2.428 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@H+]2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000446849603 395500808 /nfs/dbraw/zinc/50/08/08/395500808.db2.gz ZSLQFUFENVJIAN-JKSUJKDBSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CCN2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000446849603 395500809 /nfs/dbraw/zinc/50/08/09/395500809.db2.gz ZSLQFUFENVJIAN-JKSUJKDBSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCN2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000446849603 395500810 /nfs/dbraw/zinc/50/08/10/395500810.db2.gz ZSLQFUFENVJIAN-JKSUJKDBSA-N 2 1 281.488 2.428 20 0 CEADMP C[NH+](C)CC1(C(=O)N2CC[N@H+](C)C(C)(C)C2)CCCCC1 ZINC000568218039 395550764 /nfs/dbraw/zinc/55/07/64/395550764.db2.gz DLFBGDJQMFNKDI-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+](C)CC1(C(=O)N2CC[N@@H+](C)C(C)(C)C2)CCCCC1 ZINC000568218039 395550765 /nfs/dbraw/zinc/55/07/65/395550765.db2.gz DLFBGDJQMFNKDI-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP c1ccc2c(c1)CC(C[N@@H+]1C[C@@H]3CCC[NH2+][C@@H]3C1)C2 ZINC000573853216 395620985 /nfs/dbraw/zinc/62/09/85/395620985.db2.gz JCZANPSGGMGDTD-DLBZAZTESA-N 2 1 256.393 2.085 20 0 CEADMP c1ccc2c(c1)CC(C[N@H+]1C[C@@H]3CCC[NH2+][C@@H]3C1)C2 ZINC000573853216 395620987 /nfs/dbraw/zinc/62/09/87/395620987.db2.gz JCZANPSGGMGDTD-DLBZAZTESA-N 2 1 256.393 2.085 20 0 CEADMP C(C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)[C@H]1CCC[NH2+]C1 ZINC000574790999 395637540 /nfs/dbraw/zinc/63/75/40/395637540.db2.gz NWXJFDLBUOTCLL-TZMCWYRMSA-N 2 1 290.411 2.126 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+](C)[C@H]3CCN(C)C[C@@H]3C)cc12 ZINC000574797489 395637699 /nfs/dbraw/zinc/63/76/99/395637699.db2.gz ZXOBBQYWLOXHMZ-NHYWBVRUSA-N 2 1 287.411 2.038 20 0 CEADMP C[C@@H](O)C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000574811260 395637900 /nfs/dbraw/zinc/63/79/00/395637900.db2.gz DRSWHOQWIJSXMI-OAHLLOKOSA-N 2 1 276.424 2.259 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000574815386 395637986 /nfs/dbraw/zinc/63/79/86/395637986.db2.gz WFXLVBSNIZROFQ-CIRFHOKZSA-N 2 1 292.467 2.486 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000574815386 395637987 /nfs/dbraw/zinc/63/79/87/395637987.db2.gz WFXLVBSNIZROFQ-CIRFHOKZSA-N 2 1 292.467 2.486 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000574815386 395637988 /nfs/dbraw/zinc/63/79/88/395637988.db2.gz WFXLVBSNIZROFQ-CIRFHOKZSA-N 2 1 292.467 2.486 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000574815386 395637990 /nfs/dbraw/zinc/63/79/90/395637990.db2.gz WFXLVBSNIZROFQ-CIRFHOKZSA-N 2 1 292.467 2.486 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000574815386 395637991 /nfs/dbraw/zinc/63/79/91/395637991.db2.gz WFXLVBSNIZROFQ-CIRFHOKZSA-N 2 1 292.467 2.486 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000574816718 395638002 /nfs/dbraw/zinc/63/80/02/395638002.db2.gz SCVDVIUPQYONMJ-KRWDZBQOSA-N 2 1 272.392 2.242 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000574816718 395638003 /nfs/dbraw/zinc/63/80/03/395638003.db2.gz SCVDVIUPQYONMJ-KRWDZBQOSA-N 2 1 272.392 2.242 20 0 CEADMP Cc1nc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[nH]c1C ZINC000574823007 395638473 /nfs/dbraw/zinc/63/84/73/395638473.db2.gz GWBLFUMIPXXSIY-BETUJISGSA-N 2 1 294.443 2.006 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000574887214 395639944 /nfs/dbraw/zinc/63/99/44/395639944.db2.gz VZVZDKFIKRNKRS-SMDDNHRTSA-N 2 1 250.390 2.084 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000574887214 395639945 /nfs/dbraw/zinc/63/99/45/395639945.db2.gz VZVZDKFIKRNKRS-SMDDNHRTSA-N 2 1 250.390 2.084 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343696 395707224 /nfs/dbraw/zinc/70/72/24/395707224.db2.gz AIYOVSKEVIXIHA-NXHRZFHOSA-N 2 1 298.434 2.207 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC000647344604 395707265 /nfs/dbraw/zinc/70/72/65/395707265.db2.gz VINGWCLBHKNDBR-SPUZQDLCSA-N 2 1 288.435 2.346 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCc2ccc(C)nc2)CC[C@H]1[NH3+] ZINC000647497313 395721449 /nfs/dbraw/zinc/72/14/49/395721449.db2.gz COUVFUJMQVIPMP-HZPDHXFCSA-N 2 1 261.413 2.382 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cccc3c2OCCO3)CC[C@@H]1[NH3+] ZINC000647498320 395722453 /nfs/dbraw/zinc/72/24/53/395722453.db2.gz FDXLNSNJUYNYMJ-JSGCOSHPSA-N 2 1 276.380 2.017 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc3c2OCCO3)CC[C@@H]1[NH3+] ZINC000647498320 395722454 /nfs/dbraw/zinc/72/24/54/395722454.db2.gz FDXLNSNJUYNYMJ-JSGCOSHPSA-N 2 1 276.380 2.017 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)CC[C@H]1[NH3+] ZINC000647498737 395722457 /nfs/dbraw/zinc/72/24/57/395722457.db2.gz PAXBMYGGOBCJBL-NVXWUHKLSA-N 2 1 284.407 2.432 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000647283876 395697533 /nfs/dbraw/zinc/69/75/33/395697533.db2.gz QMMNJCKTOUYJQD-ZDUSSCGKSA-N 2 1 287.411 2.465 20 0 CEADMP c1nc2ccccn2c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545680 395732164 /nfs/dbraw/zinc/73/21/64/395732164.db2.gz CWEQMHNSAXYYIY-LSDHHAIUSA-N 2 1 284.407 2.156 20 0 CEADMP CC(C)N(C)c1ccc(C[NH+]2CCC(C)([NH3+])CC2)cn1 ZINC000647531022 395727128 /nfs/dbraw/zinc/72/71/28/395727128.db2.gz WLSLPMFODBYZRR-UHFFFAOYSA-N 2 1 276.428 2.239 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000647534862 395728914 /nfs/dbraw/zinc/72/89/14/395728914.db2.gz YFLQAWFYKDTGRQ-LUKYLMHMSA-N 2 1 256.393 2.474 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000647534862 395728917 /nfs/dbraw/zinc/72/89/17/395728917.db2.gz YFLQAWFYKDTGRQ-LUKYLMHMSA-N 2 1 256.393 2.474 20 0 CEADMP CCn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543260 395730767 /nfs/dbraw/zinc/73/07/67/395730767.db2.gz KDYFATUPKVKXAT-JKSUJKDBSA-N 2 1 276.428 2.115 20 0 CEADMP CCc1nn(C)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543209 395730954 /nfs/dbraw/zinc/73/09/54/395730954.db2.gz JMGHHRIEILXAQH-CABCVRRESA-N 2 1 290.455 2.194 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccn1 ZINC000647544103 395731651 /nfs/dbraw/zinc/73/16/51/395731651.db2.gz WTTXXJOXHWGOJG-HZPDHXFCSA-N 2 1 259.397 2.293 20 0 CEADMP COc1ccccc1C1([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000647552961 395734152 /nfs/dbraw/zinc/73/41/52/395734152.db2.gz CWSSLBBTLIIJMK-ZDUSSCGKSA-N 2 1 260.381 2.274 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@@H]3CCC[C@@H]3C[NH3+])c2c1C ZINC000647704915 395746795 /nfs/dbraw/zinc/74/67/95/395746795.db2.gz PNAWDLJNJCJKTM-GHMZBOCLSA-N 2 1 259.357 2.114 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC([C@@H](C)[NH3+])CC3)c2c1C ZINC000647704860 395746840 /nfs/dbraw/zinc/74/68/40/395746840.db2.gz NPJRNEKYKXTTSR-SNVBAGLBSA-N 2 1 273.384 2.138 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798164 395756932 /nfs/dbraw/zinc/75/69/32/395756932.db2.gz MTNRTAAGVGQQPP-FXUDXRNXSA-N 3 1 267.461 2.085 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798164 395756934 /nfs/dbraw/zinc/75/69/34/395756934.db2.gz MTNRTAAGVGQQPP-FXUDXRNXSA-N 3 1 267.461 2.085 20 0 CEADMP c1cc([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc2c1NCC2 ZINC000647800071 395757569 /nfs/dbraw/zinc/75/75/69/395757569.db2.gz ZENYAUXGTONYPX-MGPQQGTHSA-N 2 1 257.381 2.455 20 0 CEADMP COc1ccccc1C1([NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000647802917 395757854 /nfs/dbraw/zinc/75/78/54/395757854.db2.gz ZDYVININPOUOJO-CHWSQXEVSA-N 2 1 260.381 2.272 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1 ZINC000647956090 395783618 /nfs/dbraw/zinc/78/36/18/395783618.db2.gz ZAOZMIXYSQEZBH-QZTJIDSGSA-N 2 1 290.451 2.395 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000647956090 395783620 /nfs/dbraw/zinc/78/36/20/395783620.db2.gz ZAOZMIXYSQEZBH-QZTJIDSGSA-N 2 1 290.451 2.395 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000647956090 395783624 /nfs/dbraw/zinc/78/36/24/395783624.db2.gz ZAOZMIXYSQEZBH-QZTJIDSGSA-N 2 1 290.451 2.395 20 0 CEADMP CSc1ccc(OCC[N@@H+](C)CCC[NH3+])cc1 ZINC000647848211 395763450 /nfs/dbraw/zinc/76/34/50/395763450.db2.gz LFNXJWROBVXUFH-UHFFFAOYSA-N 2 1 254.399 2.068 20 0 CEADMP CC[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[N@H+]1CCOC ZINC000647867806 395765991 /nfs/dbraw/zinc/76/59/91/395765991.db2.gz WWIPUEIMXLVQPX-CYBMUJFWSA-N 2 1 288.395 2.110 20 0 CEADMP CCOc1ccc(OCC[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000647926958 395776519 /nfs/dbraw/zinc/77/65/19/395776519.db2.gz TXAYUDJETAOGIR-UHFFFAOYSA-N 2 1 278.396 2.277 20 0 CEADMP C[C@@H](Cc1ccsc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072360 395825932 /nfs/dbraw/zinc/82/59/32/395825932.db2.gz ZTOOJMJOIJOIBN-AWEZNQCLSA-N 2 1 294.464 2.476 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000648139953 395844225 /nfs/dbraw/zinc/84/42/25/395844225.db2.gz TXOAOHAZMONBLP-QWHCGFSZSA-N 2 1 280.416 2.030 20 0 CEADMP Cc1nc2ccc(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)cc2[nH]1 ZINC000647973537 395792614 /nfs/dbraw/zinc/79/26/14/395792614.db2.gz SMRHXYMLGHTSLC-JTQLQIEISA-N 2 1 294.305 2.055 20 0 CEADMP CC(C)n1ncnc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978718 395794503 /nfs/dbraw/zinc/79/45/03/395794503.db2.gz XDCDWRAPTDOQCA-CABCVRRESA-N 2 1 291.443 2.071 20 0 CEADMP CC(C)n1ncnc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978718 395794505 /nfs/dbraw/zinc/79/45/05/395794505.db2.gz XDCDWRAPTDOQCA-CABCVRRESA-N 2 1 291.443 2.071 20 0 CEADMP C(c1noc2c1CCCC2)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647986890 395795967 /nfs/dbraw/zinc/79/59/67/395795967.db2.gz JSTMGUSYLZXWFP-UONOGXRCSA-N 2 1 289.423 2.375 20 0 CEADMP C[C@H](c1ccsc1)[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647990022 395796508 /nfs/dbraw/zinc/79/65/08/395796508.db2.gz ROQLAICPRCQWSU-KGLIPLIRSA-N 2 1 279.453 2.036 20 0 CEADMP CCCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@@H]1CC[N@@H+](C)C1 ZINC000648997520 396037696 /nfs/dbraw/zinc/03/76/96/396037696.db2.gz RGRXTEZBEKZWHL-UONOGXRCSA-N 2 1 283.460 2.096 20 0 CEADMP CCc1ccc(C[NH+]2CCN(C[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000649412017 396146380 /nfs/dbraw/zinc/14/63/80/396146380.db2.gz CMEKJZFTONETDY-CQSZACIVSA-N 2 1 293.480 2.038 20 0 CEADMP CC[C@H]1C[N@@H+](CCc2nc3ccccc3n2C)CC[C@@H]1[NH3+] ZINC000649416466 396148919 /nfs/dbraw/zinc/14/89/19/396148919.db2.gz BFHBOGRXEAQEMS-KBPBESRZSA-N 2 1 286.423 2.175 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000649595207 396204763 /nfs/dbraw/zinc/20/47/63/396204763.db2.gz BZCGSFFDLSAXDX-CEXWTWQISA-N 2 1 299.462 2.144 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000649595207 396204766 /nfs/dbraw/zinc/20/47/66/396204766.db2.gz BZCGSFFDLSAXDX-CEXWTWQISA-N 2 1 299.462 2.144 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000649595207 396204769 /nfs/dbraw/zinc/20/47/69/396204769.db2.gz BZCGSFFDLSAXDX-CEXWTWQISA-N 2 1 299.462 2.144 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C(C)C)C1(CO)CC=CC1 ZINC000646084342 396287749 /nfs/dbraw/zinc/28/77/49/396287749.db2.gz IQVOYWMBSMEQCL-OAHLLOKOSA-N 2 1 277.412 2.134 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166294 396426241 /nfs/dbraw/zinc/42/62/41/396426241.db2.gz HWPHBXXBYUZHJE-GDBMZVCRSA-N 2 1 274.408 2.154 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166294 396426242 /nfs/dbraw/zinc/42/62/42/396426242.db2.gz HWPHBXXBYUZHJE-GDBMZVCRSA-N 2 1 274.408 2.154 20 0 CEADMP C[C@@H](C[NH2+]Cc1ccnn1-c1ccccn1)C[NH+]1CCCC1 ZINC000647172804 396428210 /nfs/dbraw/zinc/42/82/10/396428210.db2.gz JODKZHLCYWEBAD-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCC1 ZINC000367638637 292122750 /nfs/dbraw/zinc/12/27/50/292122750.db2.gz PLPLOENLDBAPBM-MCIONIFRSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000393556985 400545876 /nfs/dbraw/zinc/54/58/76/400545876.db2.gz MGZJSFLXLCUUIN-SOUVJXGZSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000393556985 400545881 /nfs/dbraw/zinc/54/58/81/400545881.db2.gz MGZJSFLXLCUUIN-SOUVJXGZSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000393556985 400545886 /nfs/dbraw/zinc/54/58/86/400545886.db2.gz MGZJSFLXLCUUIN-SOUVJXGZSA-N 2 1 268.445 2.198 20 0 CEADMP C[C@@H](c1ccccc1)[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000574411453 400606707 /nfs/dbraw/zinc/60/67/07/400606707.db2.gz IAGANVCZCRNNMI-DZJNRPSUSA-N 2 1 288.435 2.320 20 0 CEADMP c1cc2c(c(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)c1)CCC2 ZINC000650703047 400996847 /nfs/dbraw/zinc/99/68/47/400996847.db2.gz HUFGYOZXOOAYEQ-QGZVFWFLSA-N 2 1 256.393 2.361 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000650705506 400997744 /nfs/dbraw/zinc/99/77/44/400997744.db2.gz JXOSIOHKNYSULX-KCQAQPDRSA-N 2 1 295.452 2.170 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000650707312 400998754 /nfs/dbraw/zinc/99/87/54/400998754.db2.gz CRVUVWJKIAWCOW-BBWFWOEESA-N 2 1 289.423 2.108 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709325 401000249 /nfs/dbraw/zinc/00/02/49/401000249.db2.gz RTVNUYAZJKRMLZ-YOEHRIQHSA-N 2 1 284.407 2.204 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2cccc3c2OCO3)[C@@H]1CC[NH3+] ZINC000650710931 401001749 /nfs/dbraw/zinc/00/17/49/401001749.db2.gz DCAYBPYEXYDKFQ-GXTWGEPZSA-N 2 1 276.380 2.365 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCO3)[C@@H]1CC[NH3+] ZINC000650711312 401001834 /nfs/dbraw/zinc/00/18/34/401001834.db2.gz PFTSOPGPWWZRJO-UKRRQHHQSA-N 2 1 290.407 2.407 20 0 CEADMP CCO[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000650714079 401003982 /nfs/dbraw/zinc/00/39/82/401003982.db2.gz QHZBGEUWEJNTBO-VVLHAWIVSA-N 2 1 274.408 2.086 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1ncc(COC)s1 ZINC000650719141 401008616 /nfs/dbraw/zinc/00/86/16/401008616.db2.gz FKZVUYBMTQHVCH-UHFFFAOYSA-N 2 1 291.420 2.299 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000650720035 401009460 /nfs/dbraw/zinc/00/94/60/401009460.db2.gz CQAALWWCKOWFEO-YOEHRIQHSA-N 3 1 275.440 2.226 20 0 CEADMP CC[N@@H+]1CC[C@H](NCc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000650720035 401009468 /nfs/dbraw/zinc/00/94/68/401009468.db2.gz CQAALWWCKOWFEO-YOEHRIQHSA-N 2 1 275.440 2.226 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000650720035 401009473 /nfs/dbraw/zinc/00/94/73/401009473.db2.gz CQAALWWCKOWFEO-YOEHRIQHSA-N 2 1 275.440 2.226 20 0 CEADMP CCN1CC[C@H]([NH2+]Cc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000650720035 401009482 /nfs/dbraw/zinc/00/94/82/401009482.db2.gz CQAALWWCKOWFEO-YOEHRIQHSA-N 2 1 275.440 2.226 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000650720594 401010384 /nfs/dbraw/zinc/01/03/84/401010384.db2.gz VCZWHLMMHNTNTJ-KZNAEPCWSA-N 2 1 287.451 2.416 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@@H]2CCSC2)C1 ZINC000650723053 401012032 /nfs/dbraw/zinc/01/20/32/401012032.db2.gz GXNBMWPCNNKSIM-YJNKXOJESA-N 2 1 284.469 2.100 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)N(C)c1ccccc1 ZINC000359944133 155173977 /nfs/dbraw/zinc/17/39/77/155173977.db2.gz SENIZQRCVWYQFQ-BFYDXBDKSA-N 2 1 275.440 2.441 20 0 CEADMP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CN2 ZINC000650749961 401026403 /nfs/dbraw/zinc/02/64/03/401026403.db2.gz XXDZDJXGFCIKHG-OWCLPIDISA-N 2 1 271.408 2.240 20 0 CEADMP c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CN2 ZINC000650749960 401026553 /nfs/dbraw/zinc/02/65/53/401026553.db2.gz XXDZDJXGFCIKHG-JYJNAYRXSA-N 2 1 271.408 2.240 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753167 401029584 /nfs/dbraw/zinc/02/95/84/401029584.db2.gz IFGRVNBXGWNUKS-JTQLQIEISA-N 2 1 276.359 2.177 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)[C@@H]2CCC[C@@H]21 ZINC000650755525 401032675 /nfs/dbraw/zinc/03/26/75/401032675.db2.gz GXMPACUZLFRMAP-XIRDDKMYSA-N 3 1 291.414 2.247 20 0 CEADMP C[N@@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2F)[C@@H]2CCC[C@@H]21 ZINC000650755525 401032677 /nfs/dbraw/zinc/03/26/77/401032677.db2.gz GXMPACUZLFRMAP-XIRDDKMYSA-N 2 1 291.414 2.247 20 0 CEADMP C[N@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2F)[C@@H]2CCC[C@@H]21 ZINC000650755525 401032680 /nfs/dbraw/zinc/03/26/80/401032680.db2.gz GXMPACUZLFRMAP-XIRDDKMYSA-N 2 1 291.414 2.247 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000650756749 401032764 /nfs/dbraw/zinc/03/27/64/401032764.db2.gz JDTCJHSIWDFGOB-MRXNPFEDSA-N 2 1 284.407 2.380 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000650757117 401034405 /nfs/dbraw/zinc/03/44/05/401034405.db2.gz PGPHVQGIADSQRL-SJORKVTESA-N 3 1 273.424 2.122 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000650757117 401034410 /nfs/dbraw/zinc/03/44/10/401034410.db2.gz PGPHVQGIADSQRL-SJORKVTESA-N 2 1 273.424 2.122 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000650757117 401034418 /nfs/dbraw/zinc/03/44/18/401034418.db2.gz PGPHVQGIADSQRL-SJORKVTESA-N 2 1 273.424 2.122 20 0 CEADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH2+]C)c1nccn1C ZINC000650757360 401034614 /nfs/dbraw/zinc/03/46/14/401034614.db2.gz VFNBOFSGROADBX-OAHLLOKOSA-N 2 1 272.396 2.380 20 0 CEADMP CCOC1CC(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)C1 ZINC000352001300 286012164 /nfs/dbraw/zinc/01/21/64/286012164.db2.gz AROIHXAWVVLRKK-WLYUNCDWSA-N 2 1 254.418 2.075 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000352001300 286012165 /nfs/dbraw/zinc/01/21/65/286012165.db2.gz AROIHXAWVVLRKK-WLYUNCDWSA-N 2 1 254.418 2.075 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000352001300 286012167 /nfs/dbraw/zinc/01/21/67/286012167.db2.gz AROIHXAWVVLRKK-WLYUNCDWSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[C@H]([NH2+]C1CC[NH+](CCO)CC1)C(C)(C)C ZINC000651297132 401309420 /nfs/dbraw/zinc/30/94/20/401309420.db2.gz NLMYJEPXZJVHNH-AWEZNQCLSA-N 2 1 256.434 2.248 20 0 CEADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000358344091 286048941 /nfs/dbraw/zinc/04/89/41/286048941.db2.gz JALIAJXGZBQANJ-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000651709307 401375712 /nfs/dbraw/zinc/37/57/12/401375712.db2.gz RNOKAXLSIVXRSC-UONOGXRCSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cncc(F)c1 ZINC000158220695 289230391 /nfs/dbraw/zinc/23/03/91/289230391.db2.gz MMLRCDZPIKSLRZ-VXGBXAGGSA-N 2 1 251.349 2.213 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cncc(F)c1 ZINC000158220695 289230394 /nfs/dbraw/zinc/23/03/94/289230394.db2.gz MMLRCDZPIKSLRZ-VXGBXAGGSA-N 2 1 251.349 2.213 20 0 CEADMP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@H]1CCCOC1 ZINC000652358584 401493996 /nfs/dbraw/zinc/49/39/96/401493996.db2.gz UVOMTRWLOUVAJK-CVEARBPZSA-N 2 1 292.423 2.238 20 0 CEADMP FC1(F)C[C@@]12CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000652364407 401494842 /nfs/dbraw/zinc/49/48/42/401494842.db2.gz MWGJVOCKCKKKFW-CYBMUJFWSA-N 2 1 258.356 2.497 20 0 CEADMP COCCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000360250885 155251692 /nfs/dbraw/zinc/25/16/92/155251692.db2.gz QLXHJPQHUQSYKE-GDBMZVCRSA-N 2 1 292.423 2.142 20 0 CEADMP COCCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000360250885 155251693 /nfs/dbraw/zinc/25/16/93/155251693.db2.gz QLXHJPQHUQSYKE-GDBMZVCRSA-N 2 1 292.423 2.142 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305655978 289272800 /nfs/dbraw/zinc/27/28/00/289272800.db2.gz WELBPURZHFNKTH-DZGCQCFKSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305655978 289272801 /nfs/dbraw/zinc/27/28/01/289272801.db2.gz WELBPURZHFNKTH-DZGCQCFKSA-N 2 1 265.401 2.065 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)O1 ZINC000188586727 153063071 /nfs/dbraw/zinc/06/30/71/153063071.db2.gz BGLQLWMHBJFXSG-HIFRSBDPSA-N 2 1 277.412 2.242 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000191838655 153193498 /nfs/dbraw/zinc/19/34/98/153193498.db2.gz MMCUNSQOUMKQCE-UHFFFAOYSA-N 2 1 290.455 2.326 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCN(c2ccccn2)CC1 ZINC000191838655 153193502 /nfs/dbraw/zinc/19/35/02/153193502.db2.gz MMCUNSQOUMKQCE-UHFFFAOYSA-N 2 1 290.455 2.326 20 0 CEADMP Cc1c[nH+]ccc1NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000192728726 153213740 /nfs/dbraw/zinc/21/37/40/153213740.db2.gz DYSKVEYNBFGDAC-DLBZAZTESA-N 2 1 297.402 2.437 20 0 CEADMP CC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCC1 ZINC000192654959 153213909 /nfs/dbraw/zinc/21/39/09/153213909.db2.gz QLFKATXHPQQUBA-VIYLOZMYSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCC(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192934462 153222948 /nfs/dbraw/zinc/22/29/48/153222948.db2.gz YGXYQPBKTMRBGM-QGZVFWFLSA-N 2 1 287.451 2.192 20 0 CEADMP COc1ncccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193309984 153232395 /nfs/dbraw/zinc/23/23/95/153232395.db2.gz CIGBDXSFWPRHQK-UHFFFAOYSA-N 2 1 289.423 2.398 20 0 CEADMP Cc1ccc(C)c(OCC[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193604961 153234471 /nfs/dbraw/zinc/23/44/71/153234471.db2.gz JLELYSHMYDGNIX-IYBDPMFKSA-N 2 1 274.408 2.176 20 0 CEADMP Cc1ccc(C)c(OCC[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193604961 153234475 /nfs/dbraw/zinc/23/44/75/153234475.db2.gz JLELYSHMYDGNIX-IYBDPMFKSA-N 2 1 274.408 2.176 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193604961 153234476 /nfs/dbraw/zinc/23/44/76/153234476.db2.gz JLELYSHMYDGNIX-IYBDPMFKSA-N 2 1 274.408 2.176 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193604961 153234480 /nfs/dbraw/zinc/23/44/80/153234480.db2.gz JLELYSHMYDGNIX-IYBDPMFKSA-N 2 1 274.408 2.176 20 0 CEADMP C=Cn1cc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cn1 ZINC000194319330 153251468 /nfs/dbraw/zinc/25/14/68/153251468.db2.gz SVMSIYADLVORLM-UHFFFAOYSA-N 2 1 297.406 2.446 20 0 CEADMP CC(C)CCOCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000218731262 153300935 /nfs/dbraw/zinc/30/09/35/153300935.db2.gz YLYNXBMQPGXADV-RRFJBIMHSA-N 2 1 256.434 2.367 20 0 CEADMP COCc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261573962 153767255 /nfs/dbraw/zinc/76/72/55/153767255.db2.gz AXIREKMDAXELDB-HZPDHXFCSA-N 2 1 260.381 2.017 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261573962 153767261 /nfs/dbraw/zinc/76/72/61/153767261.db2.gz AXIREKMDAXELDB-HZPDHXFCSA-N 2 1 260.381 2.017 20 0 CEADMP COc1ccccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000269992812 154150761 /nfs/dbraw/zinc/15/07/61/154150761.db2.gz VHXIQLPBDOHDLA-HOTGVXAUSA-N 2 1 274.408 2.454 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3ccccc32)CCCO1 ZINC000313338324 154210497 /nfs/dbraw/zinc/21/04/97/154210497.db2.gz BGMAMXCBAVAJAA-INIZCTEOSA-N 2 1 270.376 2.389 20 0 CEADMP CCc1ncc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)s1 ZINC000336480332 154255519 /nfs/dbraw/zinc/25/55/19/154255519.db2.gz JOQULZJGFLCQFS-DGCLKSJQSA-N 2 1 265.426 2.232 20 0 CEADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1cccc3c[nH]nc31)C2 ZINC000345922616 154284044 /nfs/dbraw/zinc/28/40/44/154284044.db2.gz XWPFQAGYXZXMFF-GFCCVEGCSA-N 2 1 281.363 2.112 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)CCO1 ZINC000346668548 154292057 /nfs/dbraw/zinc/29/20/57/154292057.db2.gz IVVPNZBQDXPURK-RBSFLKMASA-N 2 1 256.434 2.497 20 0 CEADMP CCOCc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1OC ZINC000346694967 154292132 /nfs/dbraw/zinc/29/21/32/154292132.db2.gz XRQQYIYKQYUGHX-DZGCQCFKSA-N 2 1 292.423 2.401 20 0 CEADMP COc1ccc([C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000346816387 154301530 /nfs/dbraw/zinc/30/15/30/154301530.db2.gz ARRHMCMJCPJALT-HOCLYGCPSA-N 2 1 274.408 2.484 20 0 CEADMP CC[C@H](C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000348993465 154307535 /nfs/dbraw/zinc/30/75/35/154307535.db2.gz HIIPHBBIPKVXSS-AEFFLSMTSA-N 2 1 287.451 2.160 20 0 CEADMP CCc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cn1 ZINC000352774931 154334718 /nfs/dbraw/zinc/33/47/18/154334718.db2.gz YQVYWNWEPMDJOM-CQSZACIVSA-N 2 1 261.413 2.466 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CCC2CCOCC2)s1 ZINC000352787935 154341647 /nfs/dbraw/zinc/34/16/47/154341647.db2.gz LUSFIYBENANLDP-UHFFFAOYSA-N 2 1 283.441 2.111 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)CC1CCCC1 ZINC000354729349 154349969 /nfs/dbraw/zinc/34/99/69/154349969.db2.gz IZKRXIFBTYIKIK-MRXNPFEDSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)CC1CCCC1 ZINC000354729349 154349975 /nfs/dbraw/zinc/34/99/75/154349975.db2.gz IZKRXIFBTYIKIK-MRXNPFEDSA-N 2 1 279.428 2.455 20 0 CEADMP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)OC1CCCCCC1 ZINC000357083805 154378906 /nfs/dbraw/zinc/37/89/06/154378906.db2.gz QHMBBHCCYTXAFV-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1NC[C@H](CC(C)C)[NH+](C)C ZINC000359437213 155014985 /nfs/dbraw/zinc/01/49/85/155014985.db2.gz JTKJYTROCQKONV-ZDUSSCGKSA-N 2 1 293.411 2.068 20 0 CEADMP CC(C)COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359452878 155019769 /nfs/dbraw/zinc/01/97/69/155019769.db2.gz BNENDWZYOARZCQ-IYBDPMFKSA-N 2 1 274.408 2.373 20 0 CEADMP CC(C)COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359452878 155019775 /nfs/dbraw/zinc/01/97/75/155019775.db2.gz BNENDWZYOARZCQ-IYBDPMFKSA-N 2 1 274.408 2.373 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000359555954 155051941 /nfs/dbraw/zinc/05/19/41/155051941.db2.gz LIGPIQUAMQAMRY-KBPBESRZSA-N 2 1 295.427 2.167 20 0 CEADMP CCN(C)c1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000359719679 155119796 /nfs/dbraw/zinc/11/97/96/155119796.db2.gz LWVGGGOCICSPKV-HIFRSBDPSA-N 2 1 276.428 2.110 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)cn1 ZINC000359719679 155119798 /nfs/dbraw/zinc/11/97/98/155119798.db2.gz LWVGGGOCICSPKV-HIFRSBDPSA-N 2 1 276.428 2.110 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000359719679 155119800 /nfs/dbraw/zinc/11/98/00/155119800.db2.gz LWVGGGOCICSPKV-HIFRSBDPSA-N 2 1 276.428 2.110 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000359719679 155119803 /nfs/dbraw/zinc/11/98/03/155119803.db2.gz LWVGGGOCICSPKV-HIFRSBDPSA-N 2 1 276.428 2.110 20 0 CEADMP C[NH+]1CCC[C@H]1[C@H]1CCCN1CC[C@H]1CCC[N@@H+]1C ZINC000363451902 156026435 /nfs/dbraw/zinc/02/64/35/156026435.db2.gz YLPQFVMYNIQRMN-OWCLPIDISA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000363451902 156026438 /nfs/dbraw/zinc/02/64/38/156026438.db2.gz YLPQFVMYNIQRMN-OWCLPIDISA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000363451902 156026443 /nfs/dbraw/zinc/02/64/43/156026443.db2.gz YLPQFVMYNIQRMN-OWCLPIDISA-N 2 1 265.445 2.029 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccnc2)[C@@H]2CCC[C@H]21 ZINC000367598238 156212049 /nfs/dbraw/zinc/21/20/49/156212049.db2.gz DFSQIMUPFHFTRO-HRCADAONSA-N 2 1 259.397 2.087 20 0 CEADMP Cc1c[nH]nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000368107722 156287229 /nfs/dbraw/zinc/28/72/29/156287229.db2.gz GXHFQZXMNNBJNE-UHFFFAOYSA-N 2 1 262.401 2.026 20 0 CEADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000375655599 157120505 /nfs/dbraw/zinc/12/05/05/157120505.db2.gz MVMJZQKFHWIFSL-BFYDXBDKSA-N 2 1 289.423 2.113 20 0 CEADMP CC(C)[NH2+]CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000375681346 157125549 /nfs/dbraw/zinc/12/55/49/157125549.db2.gz YTKVBCHXYOFRBE-QGZVFWFLSA-N 2 1 275.440 2.191 20 0 CEADMP CCn1cc(CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000375723297 157131751 /nfs/dbraw/zinc/13/17/51/157131751.db2.gz OWPJGJCRVBLCOG-QGZVFWFLSA-N 2 1 290.455 2.253 20 0 CEADMP CCn1cc(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000375723297 157131754 /nfs/dbraw/zinc/13/17/54/157131754.db2.gz OWPJGJCRVBLCOG-QGZVFWFLSA-N 2 1 290.455 2.253 20 0 CEADMP CCCCOC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375751785 157134872 /nfs/dbraw/zinc/13/48/72/157134872.db2.gz WPBBGUWBBBYNLL-YIONKMFJSA-N 2 1 282.428 2.277 20 0 CEADMP CCCCOC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375751785 157134876 /nfs/dbraw/zinc/13/48/76/157134876.db2.gz WPBBGUWBBBYNLL-YIONKMFJSA-N 2 1 282.428 2.277 20 0 CEADMP CCCCOC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375751785 157134881 /nfs/dbraw/zinc/13/48/81/157134881.db2.gz WPBBGUWBBBYNLL-YIONKMFJSA-N 2 1 282.428 2.277 20 0 CEADMP CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131797755 162298772 /nfs/dbraw/zinc/29/87/72/162298772.db2.gz GTLVDGRXJJWATQ-GJZGRUSLSA-N 2 1 292.379 2.267 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCOC1 ZINC000151126742 162303016 /nfs/dbraw/zinc/30/30/16/162303016.db2.gz NUMRBOZGXPDKPB-VNQPRFMTSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCOC1 ZINC000151126742 162303021 /nfs/dbraw/zinc/30/30/21/162303021.db2.gz NUMRBOZGXPDKPB-VNQPRFMTSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCOC1 ZINC000151126561 162303437 /nfs/dbraw/zinc/30/34/37/162303437.db2.gz NUMRBOZGXPDKPB-NUEKZKHPSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCOC1 ZINC000151126561 162303439 /nfs/dbraw/zinc/30/34/39/162303439.db2.gz NUMRBOZGXPDKPB-NUEKZKHPSA-N 2 1 266.429 2.266 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168653702 162369564 /nfs/dbraw/zinc/36/95/64/162369564.db2.gz SRMZUNCMJJHXPS-CABCVRRESA-N 2 1 283.460 2.084 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168653702 162369566 /nfs/dbraw/zinc/36/95/66/162369566.db2.gz SRMZUNCMJJHXPS-CABCVRRESA-N 2 1 283.460 2.084 20 0 CEADMP CCn1cc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC000178253484 165228826 /nfs/dbraw/zinc/22/88/26/165228826.db2.gz QSPURZXPBSENCL-ZDUSSCGKSA-N 2 1 276.428 2.428 20 0 CEADMP Cc1nc(C[C@@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)no1 ZINC000179268949 165276009 /nfs/dbraw/zinc/27/60/09/165276009.db2.gz FPSUIXNNQRKRLZ-HNNXBMFYSA-N 2 1 292.427 2.118 20 0 CEADMP Cc1nc(C[C@@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)no1 ZINC000179268949 165276010 /nfs/dbraw/zinc/27/60/10/165276010.db2.gz FPSUIXNNQRKRLZ-HNNXBMFYSA-N 2 1 292.427 2.118 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CCO)C(C)(C)C ZINC000181486717 165346745 /nfs/dbraw/zinc/34/67/45/165346745.db2.gz CNDCAAGQAWIINC-CQSZACIVSA-N 2 1 267.417 2.358 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)[C@H](O)Cc1ccccc1 ZINC000181551445 165349120 /nfs/dbraw/zinc/34/91/20/165349120.db2.gz BMSBAXUWGUOEEY-YQFWSFKMSA-N 2 1 276.424 2.051 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](O)Cc1ccccc1 ZINC000181551445 165349124 /nfs/dbraw/zinc/34/91/24/165349124.db2.gz BMSBAXUWGUOEEY-YQFWSFKMSA-N 2 1 276.424 2.051 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnn(CC(C)C)c1 ZINC000181789584 165356705 /nfs/dbraw/zinc/35/67/05/165356705.db2.gz ZZDVVJKCEBODLC-AWEZNQCLSA-N 2 1 289.427 2.470 20 0 CEADMP C[NH+]1CCC(Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000020188771 171053473 /nfs/dbraw/zinc/05/34/73/171053473.db2.gz ZHZNCGBNXCADCO-UHFFFAOYSA-N 2 1 289.423 2.025 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000180988345 287266970 /nfs/dbraw/zinc/26/69/70/287266970.db2.gz JARFWKPPUXFEAN-WBVHZDCISA-N 2 1 295.471 2.289 20 0 CEADMP CC(C)(C)n1cc(C[NH2+]CCC[NH+]2CCCC2)cn1 ZINC000037229625 173050015 /nfs/dbraw/zinc/05/00/15/173050015.db2.gz RPDDIKSRNZWPMH-UHFFFAOYSA-N 2 1 264.417 2.214 20 0 CEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000262063052 287283058 /nfs/dbraw/zinc/28/30/58/287283058.db2.gz RHDPQDIREODKCZ-OAGGEKHMSA-N 2 1 295.471 2.132 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)c(OC)c1 ZINC000038040908 174040789 /nfs/dbraw/zinc/04/07/89/174040789.db2.gz NOZJYURKCJHBDM-NSHDSACASA-N 2 1 264.369 2.106 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C[NH+]1CCCCC1 ZINC000038041638 174043483 /nfs/dbraw/zinc/04/34/83/174043483.db2.gz CDBHMGQTXPGQBE-MGNMYUMUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C[NH+]1CCCCC1 ZINC000038041638 174043484 /nfs/dbraw/zinc/04/34/84/174043484.db2.gz CDBHMGQTXPGQBE-MGNMYUMUSA-N 3 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C[NH+]1CCCCC1 ZINC000038041638 174043485 /nfs/dbraw/zinc/04/34/85/174043485.db2.gz CDBHMGQTXPGQBE-MGNMYUMUSA-N 3 1 279.472 2.323 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622958 174355902 /nfs/dbraw/zinc/35/59/02/174355902.db2.gz YQNDDTIQCMNWJW-OAHLLOKOSA-N 2 1 286.423 2.463 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000040746506 174391600 /nfs/dbraw/zinc/39/16/00/174391600.db2.gz WAKUKSGACMREBL-SJPCQFCGSA-N 2 1 287.407 2.360 20 0 CEADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc2c1C[NH2+]C2 ZINC000662836221 414765630 /nfs/dbraw/zinc/76/56/30/414765630.db2.gz WYFLQVPYQDHYIK-IRXDYDNUSA-N 2 1 299.418 2.037 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000660310642 414766432 /nfs/dbraw/zinc/76/64/32/414766432.db2.gz BWZHIPLJNRJNJF-RBSFLKMASA-N 2 1 270.461 2.492 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000070356991 414771505 /nfs/dbraw/zinc/77/15/05/414771505.db2.gz DINJDUHFMGLRFJ-OLZOCXBDSA-N 2 1 252.402 2.018 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC000653892154 414774558 /nfs/dbraw/zinc/77/45/58/414774558.db2.gz BIDVQGHVPJRVMW-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000653892154 414774562 /nfs/dbraw/zinc/77/45/62/414774562.db2.gz BIDVQGHVPJRVMW-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+])C(C)C ZINC000404279773 414778321 /nfs/dbraw/zinc/77/83/21/414778321.db2.gz PADRIVOQCITLJP-LSDHHAIUSA-N 2 1 283.460 2.081 20 0 CEADMP C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2)[C@H]1CC[NH3+] ZINC000404301575 414779295 /nfs/dbraw/zinc/77/92/95/414779295.db2.gz GIOOAMCLKDCPGJ-ZFWWWQNUSA-N 2 1 275.396 2.074 20 0 CEADMP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2)[C@H]1CC[NH3+] ZINC000404301575 414779302 /nfs/dbraw/zinc/77/93/02/414779302.db2.gz GIOOAMCLKDCPGJ-ZFWWWQNUSA-N 2 1 275.396 2.074 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662877276 414784471 /nfs/dbraw/zinc/78/44/71/414784471.db2.gz HOUREXHCNQQBNZ-CQSZACIVSA-N 2 1 295.471 2.275 20 0 CEADMP C[N@H+](Cc1ccc(Br)cc1)C[C@H]1CC[NH2+]C1 ZINC000051890067 414747452 /nfs/dbraw/zinc/74/74/52/414747452.db2.gz XUUPXMYZRDLPCY-LBPRGKRZSA-N 2 1 283.213 2.490 20 0 CEADMP CCO[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)C[C@H]1C[NH3+] ZINC000405304936 414793909 /nfs/dbraw/zinc/79/39/09/414793909.db2.gz PTINCTYMLADSAS-DJIMGWMZSA-N 2 1 274.408 2.360 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CCO1 ZINC000123838670 414795264 /nfs/dbraw/zinc/79/52/64/414795264.db2.gz SVIKJPHPSFBDAH-APHBMKBZSA-N 2 1 260.381 2.112 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CCO1 ZINC000123838670 414795268 /nfs/dbraw/zinc/79/52/68/414795268.db2.gz SVIKJPHPSFBDAH-APHBMKBZSA-N 2 1 260.381 2.112 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cccc(C)c2C)C[C@H]1C[NH3+] ZINC000405551662 414795665 /nfs/dbraw/zinc/79/56/65/414795665.db2.gz ZDMYLZROFVQQGA-HZPDHXFCSA-N 2 1 262.397 2.099 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccc(CC)s2)C[C@H]1C[NH3+] ZINC000405844049 414797109 /nfs/dbraw/zinc/79/71/09/414797109.db2.gz GQQCRXBEISPQTH-BXUZGUMPSA-N 2 1 268.426 2.106 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)C1CCC1 ZINC000660416850 414808799 /nfs/dbraw/zinc/80/87/99/414808799.db2.gz XTBJBBWOMZZIFO-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCCOCC(F)(F)F)C2 ZINC000311657778 414859633 /nfs/dbraw/zinc/85/96/33/414859633.db2.gz FDAHAGALNXCCKN-RYUDHWBXSA-N 2 1 280.334 2.016 20 0 CEADMP c1nc2n(c1CNCc1ccc3c(c1)COC3)CCC2 ZINC000657403246 414915778 /nfs/dbraw/zinc/91/57/78/414915778.db2.gz VNOWADSKGURTQE-UHFFFAOYSA-N 2 1 269.348 2.149 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000653176444 414936921 /nfs/dbraw/zinc/93/69/21/414936921.db2.gz VGYSXKCQWFMVLO-JKSUJKDBSA-N 2 1 297.487 2.106 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000653279911 414971571 /nfs/dbraw/zinc/97/15/71/414971571.db2.gz JQSGIJSCQSEFQE-NEPJUHHUSA-N 3 1 276.409 2.245 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cc(-n2ccnc2)cs1 ZINC000653279911 414971578 /nfs/dbraw/zinc/97/15/78/414971578.db2.gz JQSGIJSCQSEFQE-NEPJUHHUSA-N 3 1 276.409 2.245 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)CC[NH2+]1 ZINC000663514991 414979051 /nfs/dbraw/zinc/97/90/51/414979051.db2.gz XPZRDNMBXVBQBR-CZXHOFHRSA-N 2 1 276.371 2.119 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000653200515 414944703 /nfs/dbraw/zinc/94/47/03/414944703.db2.gz GZLKPQWDYOTPKB-MRXNPFEDSA-N 2 1 295.471 2.289 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NCc1cnc2n1CCC2 ZINC000657469195 414953179 /nfs/dbraw/zinc/95/31/79/414953179.db2.gz VZGLHYCTRILHGZ-ZDUSSCGKSA-N 2 1 264.417 2.039 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N(C)CC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660760259 414964136 /nfs/dbraw/zinc/96/41/36/414964136.db2.gz NRYZKUMXHUEVGT-IXDOHACOSA-N 2 1 281.488 2.379 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N(C)CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660760259 414964143 /nfs/dbraw/zinc/96/41/43/414964143.db2.gz NRYZKUMXHUEVGT-IXDOHACOSA-N 2 1 281.488 2.379 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N(C)CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660760259 414964147 /nfs/dbraw/zinc/96/41/47/414964147.db2.gz NRYZKUMXHUEVGT-IXDOHACOSA-N 2 1 281.488 2.379 20 0 CEADMP C([NH2+][C@H]1CCCOCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470266 414965898 /nfs/dbraw/zinc/96/58/98/414965898.db2.gz UHYLVPNZKVYGJK-CVEARBPZSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000653644262 415062690 /nfs/dbraw/zinc/06/26/90/415062690.db2.gz ZUESDLCDWBTYRG-UHFFFAOYSA-N 2 1 262.401 2.358 20 0 CEADMP Cc1cc(CO)cc(NC[C@@H]2CCCC[N@H+]2C2CC2)n1 ZINC000663844610 415068325 /nfs/dbraw/zinc/06/83/25/415068325.db2.gz NQLDBMYLGGPCMW-HNNXBMFYSA-N 2 1 275.396 2.311 20 0 CEADMP NC(=O)CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000657799049 415085136 /nfs/dbraw/zinc/08/51/36/415085136.db2.gz UTBJXPXFXSVPGN-CABCVRRESA-N 2 1 293.455 2.029 20 0 CEADMP O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657808510 415087309 /nfs/dbraw/zinc/08/73/09/415087309.db2.gz JHEBWTJBIFUNDV-BRWVUGGUSA-N 2 1 286.419 2.297 20 0 CEADMP O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657808510 415087316 /nfs/dbraw/zinc/08/73/16/415087316.db2.gz JHEBWTJBIFUNDV-BRWVUGGUSA-N 2 1 286.419 2.297 20 0 CEADMP Fc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000657675608 415045574 /nfs/dbraw/zinc/04/55/74/415045574.db2.gz XYDVZKGEDRPTTK-ARFHVFGLSA-N 2 1 290.382 2.346 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCn3nccc32)CC1 ZINC000657834349 415098293 /nfs/dbraw/zinc/09/82/93/415098293.db2.gz TWKPKQWSNMHILG-HNNXBMFYSA-N 2 1 276.428 2.428 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccccc2C)CCC1 ZINC000653776778 415099288 /nfs/dbraw/zinc/09/92/88/415099288.db2.gz OOUXOMXIWHWUSE-HNNXBMFYSA-N 2 1 276.424 2.276 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccccc2C)CCC1 ZINC000653776778 415099292 /nfs/dbraw/zinc/09/92/92/415099292.db2.gz OOUXOMXIWHWUSE-HNNXBMFYSA-N 2 1 276.424 2.276 20 0 CEADMP COC1([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000657836931 415100385 /nfs/dbraw/zinc/10/03/85/415100385.db2.gz YHPVWZDESKVEFT-CHWSQXEVSA-N 2 1 252.402 2.018 20 0 CEADMP FCC1(CF)CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000657840134 415101115 /nfs/dbraw/zinc/10/11/15/415101115.db2.gz MJNXKDQNRMVKQL-DGCLKSJQSA-N 2 1 258.356 2.291 20 0 CEADMP Cc1nsc(C)c1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000653777375 415101918 /nfs/dbraw/zinc/10/19/18/415101918.db2.gz MSXRKHMOEHHIOT-UHFFFAOYSA-N 2 1 295.452 2.057 20 0 CEADMP Cc1nsc(C)c1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000653777375 415101925 /nfs/dbraw/zinc/10/19/25/415101925.db2.gz MSXRKHMOEHHIOT-UHFFFAOYSA-N 2 1 295.452 2.057 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CCO)c1ccccc1F ZINC000653777540 415102458 /nfs/dbraw/zinc/10/24/58/415102458.db2.gz OSZSHNCLWUPBEF-MRXNPFEDSA-N 2 1 291.370 2.205 20 0 CEADMP Cc1cc(CO)cc(NCCCC[N@@H+](C)C2CC2)[nH+]1 ZINC000663992838 415114985 /nfs/dbraw/zinc/11/49/85/415114985.db2.gz FJTHZGINIGNHJA-UHFFFAOYSA-N 2 1 263.385 2.169 20 0 CEADMP Cc1cc(CO)cc(NCCCC[N@H+](C)C2CC2)[nH+]1 ZINC000663992838 415114989 /nfs/dbraw/zinc/11/49/89/415114989.db2.gz FJTHZGINIGNHJA-UHFFFAOYSA-N 2 1 263.385 2.169 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653811310 415116011 /nfs/dbraw/zinc/11/60/11/415116011.db2.gz DJXPSYPZGCRYKB-MRXNPFEDSA-N 2 1 277.412 2.386 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653811310 415116014 /nfs/dbraw/zinc/11/60/14/415116014.db2.gz DJXPSYPZGCRYKB-MRXNPFEDSA-N 2 1 277.412 2.386 20 0 CEADMP CCOC1CCC([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000657992419 415147331 /nfs/dbraw/zinc/14/73/31/415147331.db2.gz JSLUOVAOEJCTEZ-GTPINHCMSA-N 2 1 298.471 2.425 20 0 CEADMP CCOC1CCC([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000657992419 415147334 /nfs/dbraw/zinc/14/73/34/415147334.db2.gz JSLUOVAOEJCTEZ-GTPINHCMSA-N 2 1 298.471 2.425 20 0 CEADMP Cc1cc(CO)cc(NC[C@@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000664139292 415188325 /nfs/dbraw/zinc/18/83/25/415188325.db2.gz SMFKHNRITHOALW-ZDUSSCGKSA-N 2 1 263.385 2.167 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H]2C2CCCC2)n1 ZINC000045074064 175302329 /nfs/dbraw/zinc/30/23/29/175302329.db2.gz RFQKKWGMEQDIOV-LBPRGKRZSA-N 2 1 278.400 2.418 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)CC[N@@H+]1C ZINC000658232059 415268468 /nfs/dbraw/zinc/26/84/68/415268468.db2.gz DGTIGGBPTVOJGX-XLNGHYISSA-N 2 1 290.455 2.204 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)CC[N@H+]1C ZINC000658232059 415268474 /nfs/dbraw/zinc/26/84/74/415268474.db2.gz DGTIGGBPTVOJGX-XLNGHYISSA-N 2 1 290.455 2.204 20 0 CEADMP Cc1cccc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000664195753 415221428 /nfs/dbraw/zinc/22/14/28/415221428.db2.gz DYMMUOQUQRFSKO-AWEZNQCLSA-N 2 1 264.417 2.074 20 0 CEADMP Cc1cccc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000664195753 415221432 /nfs/dbraw/zinc/22/14/32/415221432.db2.gz DYMMUOQUQRFSKO-AWEZNQCLSA-N 2 1 264.417 2.074 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cnccc2C)[C@H](C)C1 ZINC000658125080 415222050 /nfs/dbraw/zinc/22/20/50/415222050.db2.gz KKHMKHHNUMKRBS-ZBFHGGJFSA-N 2 1 261.413 2.252 20 0 CEADMP CO[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000658313674 415312783 /nfs/dbraw/zinc/31/27/83/415312783.db2.gz FCNBWKWLHNNEBX-INIZCTEOSA-N 2 1 266.429 2.408 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000658316833 415315766 /nfs/dbraw/zinc/31/57/66/415315766.db2.gz SPGBASUQLXPOHU-AEGPPILISA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2(C)C)[C@H](C)C1 ZINC000658328298 415319607 /nfs/dbraw/zinc/31/96/07/415319607.db2.gz AFWXNNLMCZGLST-RDBSUJKOSA-N 2 1 254.418 2.121 20 0 CEADMP CC1(C)OCC[C@@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658326514 415319655 /nfs/dbraw/zinc/31/96/55/415319655.db2.gz CWQKLICQPYCAKR-GDBMZVCRSA-N 2 1 296.455 2.035 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000658354940 415335669 /nfs/dbraw/zinc/33/56/69/415335669.db2.gz GKBYQUKBYLUZQR-QAPCUYQASA-N 3 1 293.499 2.428 20 0 CEADMP CCN1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000658354940 415335679 /nfs/dbraw/zinc/33/56/79/415335679.db2.gz GKBYQUKBYLUZQR-QAPCUYQASA-N 2 1 293.499 2.428 20 0 CEADMP Cc1nccn1CC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661664806 415391348 /nfs/dbraw/zinc/39/13/48/415391348.db2.gz FWIHHORTIXFLRI-ZWKOTPCHSA-N 2 1 299.418 2.290 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661664806 415391355 /nfs/dbraw/zinc/39/13/55/415391355.db2.gz FWIHHORTIXFLRI-ZWKOTPCHSA-N 2 1 299.418 2.290 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661664806 415391366 /nfs/dbraw/zinc/39/13/66/415391366.db2.gz FWIHHORTIXFLRI-ZWKOTPCHSA-N 2 1 299.418 2.290 20 0 CEADMP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000655694741 415394104 /nfs/dbraw/zinc/39/41/04/415394104.db2.gz KWFAZXPKKQZNHJ-CQSZACIVSA-N 2 1 280.437 2.399 20 0 CEADMP CCOCCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655695098 415395605 /nfs/dbraw/zinc/39/56/05/415395605.db2.gz QMRXFGPWXXBREA-INIZCTEOSA-N 2 1 284.444 2.036 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCC1 ZINC000655701099 415397541 /nfs/dbraw/zinc/39/75/41/415397541.db2.gz SNGXHAJKXHHVIU-OAHLLOKOSA-N 2 1 252.402 2.020 20 0 CEADMP C(COC1CCCC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655702514 415398353 /nfs/dbraw/zinc/39/83/53/415398353.db2.gz ZSCOUZDQMIBQJX-KRWDZBQOSA-N 2 1 296.455 2.179 20 0 CEADMP CC[C@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655711367 415403403 /nfs/dbraw/zinc/40/34/03/415403403.db2.gz IOKYUEFLVJCTRS-UAGQMJEPSA-N 2 1 298.471 2.017 20 0 CEADMP CCO[C@@H](CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000655719904 415412933 /nfs/dbraw/zinc/41/29/33/415412933.db2.gz WUBRZPLQINOAKK-SJORKVTESA-N 2 1 298.471 2.281 20 0 CEADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1(C2CC2)CCC1 ZINC000655737377 415423627 /nfs/dbraw/zinc/42/36/27/415423627.db2.gz MUJFKEXBDUUIPS-INIZCTEOSA-N 2 1 278.440 2.410 20 0 CEADMP Cc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655682949 415384957 /nfs/dbraw/zinc/38/49/57/415384957.db2.gz NYZQQZOSYJGRDE-QGZVFWFLSA-N 2 1 274.408 2.338 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC1=CCCOC1 ZINC000661653491 415386598 /nfs/dbraw/zinc/38/65/98/415386598.db2.gz KYNOGCXHUUWRLC-UHFFFAOYSA-N 2 1 263.385 2.250 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC1=CCCOC1 ZINC000661653491 415386605 /nfs/dbraw/zinc/38/66/05/415386605.db2.gz KYNOGCXHUUWRLC-UHFFFAOYSA-N 2 1 263.385 2.250 20 0 CEADMP C[C@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)[N@H+]1CCCC[C@@H]1C ZINC000659291246 415491975 /nfs/dbraw/zinc/49/19/75/415491975.db2.gz FKKPWJUSHPWFDS-UONOGXRCSA-N 2 1 293.455 2.027 20 0 CEADMP c1cc2cc(C[NH2+]CCC[NH+]3CCC3)ccc2cn1 ZINC000655753959 415434954 /nfs/dbraw/zinc/43/49/54/415434954.db2.gz IELJKILJDGEMDC-UHFFFAOYSA-N 2 1 255.365 2.420 20 0 CEADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000655754973 415436087 /nfs/dbraw/zinc/43/60/87/415436087.db2.gz ZLLPGPNPIKZBBS-HLLBOEOZSA-N 2 1 296.455 2.035 20 0 CEADMP CC1(C)C[C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000655774664 415456889 /nfs/dbraw/zinc/45/68/89/415456889.db2.gz DALBMRHIQNTPMB-ZBFHGGJFSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2CCCCO2)CC[N@@H+]1C ZINC000655788277 415468842 /nfs/dbraw/zinc/46/88/42/415468842.db2.gz GDOCLPIKRFZZGD-DTZQCDIJSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2CCCCO2)CC[N@H+]1C ZINC000655788277 415468847 /nfs/dbraw/zinc/46/88/47/415468847.db2.gz GDOCLPIKRFZZGD-DTZQCDIJSA-N 2 1 266.429 2.406 20 0 CEADMP Cc1noc([C@@H](C)[N@H+](C)CCCC2CC[NH2+]CC2)n1 ZINC000655949514 415563625 /nfs/dbraw/zinc/56/36/25/415563625.db2.gz WRGDIFKHEWEZTR-LLVKDONJSA-N 2 1 266.389 2.151 20 0 CEADMP Cc1noc([C@@H](C)[N@@H+](C)CCCC2CC[NH2+]CC2)n1 ZINC000655949514 415563632 /nfs/dbraw/zinc/56/36/32/415563632.db2.gz WRGDIFKHEWEZTR-LLVKDONJSA-N 2 1 266.389 2.151 20 0 CEADMP CN(C)C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000656199119 415633666 /nfs/dbraw/zinc/63/36/66/415633666.db2.gz OODOPELTAWEUDG-OAGGEKHMSA-N 2 1 279.403 2.288 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000665236082 415637263 /nfs/dbraw/zinc/63/72/63/415637263.db2.gz GZBIABHGUXWJKY-ZJIFWQFVSA-N 2 1 279.472 2.370 20 0 CEADMP Cc1ccc(CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662152888 415657258 /nfs/dbraw/zinc/65/72/58/415657258.db2.gz ITZDQNNUYGPWFN-SFHVURJKSA-N 2 1 288.435 2.069 20 0 CEADMP Cc1ccc(CC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662152888 415657265 /nfs/dbraw/zinc/65/72/65/415657265.db2.gz ITZDQNNUYGPWFN-SFHVURJKSA-N 2 1 288.435 2.069 20 0 CEADMP C[C@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000665266711 415658766 /nfs/dbraw/zinc/65/87/66/415658766.db2.gz IDDVEWVHJAJTMQ-LZWOXQAQSA-N 2 1 265.445 2.124 20 0 CEADMP CC[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)[C@@H]1CCC[NH2+]1 ZINC000665271867 415665337 /nfs/dbraw/zinc/66/53/37/415665337.db2.gz UAYOKKMBSANJQO-PMPSAXMXSA-N 2 1 259.397 2.376 20 0 CEADMP C[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000665299096 415685051 /nfs/dbraw/zinc/68/50/51/415685051.db2.gz GFVKEORWVPBLDU-DJIMGWMZSA-N 3 1 279.472 2.229 20 0 CEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000665297364 415686141 /nfs/dbraw/zinc/68/61/41/415686141.db2.gz DRPFMJRLDNYMJD-NOXHYTERSA-N 2 1 262.397 2.385 20 0 CEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000665297274 415686316 /nfs/dbraw/zinc/68/63/16/415686316.db2.gz CGWJYUMNMBDWIO-NWDGAFQWSA-N 2 1 280.412 2.141 20 0 CEADMP COCC[N@@H+](CCC[NH3+])Cc1ccc(C)c(C)c1 ZINC000071225256 176088848 /nfs/dbraw/zinc/08/88/48/176088848.db2.gz CZXGVJUPMDEUKV-UHFFFAOYSA-N 2 1 250.386 2.101 20 0 CEADMP C[N@@H+](CCNC(=O)Nc1ccc(C[NH3+])cc1)C1CCCC1 ZINC000071379579 176143690 /nfs/dbraw/zinc/14/36/90/176143690.db2.gz DXNFDUNYGMYCTF-UHFFFAOYSA-N 2 1 290.411 2.141 20 0 CEADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255699 415719285 /nfs/dbraw/zinc/71/92/85/415719285.db2.gz DKKNTBUGEVHVRE-OIISXLGYSA-N 2 1 286.419 2.385 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C1CC1)C1CCCCC1 ZINC000659840618 415722090 /nfs/dbraw/zinc/72/20/90/415722090.db2.gz JWHCXBVJNOSNSK-MRXNPFEDSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C1CC1)C1CCCCC1 ZINC000659840618 415722093 /nfs/dbraw/zinc/72/20/93/415722093.db2.gz JWHCXBVJNOSNSK-MRXNPFEDSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C1CC1)C1CCCCC1 ZINC000659840618 415722100 /nfs/dbraw/zinc/72/21/00/415722100.db2.gz JWHCXBVJNOSNSK-MRXNPFEDSA-N 2 1 268.445 2.485 20 0 CEADMP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257986 415725683 /nfs/dbraw/zinc/72/56/83/415725683.db2.gz VWSAKZSEEGEJMY-DOMZBBRYSA-N 2 1 290.382 2.266 20 0 CEADMP CCC[C@]1(C)CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256727 415726329 /nfs/dbraw/zinc/72/63/29/415726329.db2.gz YFMLPOUGGLVKMS-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP CCC[N@H+](Cc1cc(C)nc(C)n1)C1CC[NH2+]CC1 ZINC000662261893 415728295 /nfs/dbraw/zinc/72/82/95/415728295.db2.gz CDJHSWIIABORHZ-UHFFFAOYSA-N 2 1 262.401 2.057 20 0 CEADMP CCC[N@@H+](Cc1cc(C)nc(C)n1)C1CC[NH2+]CC1 ZINC000662261893 415728302 /nfs/dbraw/zinc/72/83/02/415728302.db2.gz CDJHSWIIABORHZ-UHFFFAOYSA-N 2 1 262.401 2.057 20 0 CEADMP CCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CC[NH2+]CC1 ZINC000662262336 415730044 /nfs/dbraw/zinc/73/00/44/415730044.db2.gz FYFGSTWFZSKSFQ-UHFFFAOYSA-N 3 1 287.451 2.296 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1ccc2c(c1)OC(F)(F)O2 ZINC000662266354 415733488 /nfs/dbraw/zinc/73/34/88/415733488.db2.gz WOPHVZYDJVGCGZ-PWSUYJOCSA-N 2 1 298.333 2.220 20 0 CEADMP COc1cccc(SCC[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000662243102 415706012 /nfs/dbraw/zinc/70/60/12/415706012.db2.gz LWVLLGDAKBUBST-GFCCVEGCSA-N 2 1 266.410 2.068 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+](Cc2csc(N(C)C3CC3)n2)CC1 ZINC000662244122 415707344 /nfs/dbraw/zinc/70/73/44/415707344.db2.gz CBYYMESNXGMBOA-NSHDSACASA-N 2 1 294.468 2.301 20 0 CEADMP CCCCC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000662251143 415715610 /nfs/dbraw/zinc/71/56/10/415715610.db2.gz ZWKLQCVMKPLSOV-CQSZACIVSA-N 2 1 254.418 2.408 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)C1CCCC1 ZINC000662280159 415746496 /nfs/dbraw/zinc/74/64/96/415746496.db2.gz CYXRSGAKNGNPOD-BPLDGKMQSA-N 2 1 254.418 2.108 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nc(C)n1 ZINC000662277492 415746794 /nfs/dbraw/zinc/74/67/94/415746794.db2.gz VJKLELQSNIHLJC-GOEBONIOSA-N 2 1 274.412 2.057 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nc(C)n1 ZINC000662277492 415746798 /nfs/dbraw/zinc/74/67/98/415746798.db2.gz VJKLELQSNIHLJC-GOEBONIOSA-N 2 1 274.412 2.057 20 0 CEADMP CC1(C)CCCC[C@H]1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000662282479 415748219 /nfs/dbraw/zinc/74/82/19/415748219.db2.gz VTRUWITZEJVQAP-KBPBESRZSA-N 2 1 254.418 2.252 20 0 CEADMP c1cncc(CC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662293703 415760034 /nfs/dbraw/zinc/76/00/34/415760034.db2.gz MHUDTJRWRZHSKA-QGZVFWFLSA-N 2 1 273.424 2.336 20 0 CEADMP CCc1noc([C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662294444 415760072 /nfs/dbraw/zinc/76/00/72/415760072.db2.gz WCUVBAKWNQPIJY-TZMCWYRMSA-N 2 1 292.427 2.405 20 0 CEADMP C[C@@]12COC[C@]1(C)C[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000662303585 415764652 /nfs/dbraw/zinc/76/46/52/415764652.db2.gz XIXQTHMIJXURIW-IYBDPMFKSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662300721 415766383 /nfs/dbraw/zinc/76/63/83/415766383.db2.gz HWTTVWNBNZIZQP-KDOFPFPSSA-N 2 1 288.435 2.315 20 0 CEADMP CO[C@H](C[N@@H+]1CC2CC1(C[NH3+])C2)C1CCCCC1 ZINC000662305297 415768986 /nfs/dbraw/zinc/76/89/86/415768986.db2.gz HLGKUZPRLAKFQR-HNFVBEJKSA-N 2 1 252.402 2.005 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000662315545 415774300 /nfs/dbraw/zinc/77/43/00/415774300.db2.gz QOMKXZZLDJQRFR-VHDGCEQUSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000662315545 415774304 /nfs/dbraw/zinc/77/43/04/415774304.db2.gz QOMKXZZLDJQRFR-VHDGCEQUSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC2CCOCC2)[C@@H]1CCC[NH3+] ZINC000662316515 415774338 /nfs/dbraw/zinc/77/43/38/415774338.db2.gz XHGJQBCIYFUBQF-UKRRQHHQSA-N 2 1 254.418 2.252 20 0 CEADMP c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662283350 415749950 /nfs/dbraw/zinc/74/99/50/415749950.db2.gz IIGUSDOBLPTOBB-SJORKVTESA-N 2 1 286.419 2.387 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCc1ccc2c(c1)OC(F)(F)O2 ZINC000662282422 415750420 /nfs/dbraw/zinc/75/04/20/415750420.db2.gz UROXJVCRXCFJER-UHFFFAOYSA-N 2 1 286.322 2.092 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000662284461 415751211 /nfs/dbraw/zinc/75/12/11/415751211.db2.gz YKYOBUDSYUQEOT-CWRNSKLLSA-N 2 1 268.445 2.498 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662293802 415758089 /nfs/dbraw/zinc/75/80/89/415758089.db2.gz NZNWSIZJYASBFZ-KRWDZBQOSA-N 2 1 290.455 2.212 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(c2ccccc2)C1 ZINC000659997943 415839073 /nfs/dbraw/zinc/83/90/73/415839073.db2.gz VPTLYAUDAIRTRP-MSOLQXFVSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(c2ccccc2)C1 ZINC000659997943 415839080 /nfs/dbraw/zinc/83/90/80/415839080.db2.gz VPTLYAUDAIRTRP-MSOLQXFVSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000659997943 415839083 /nfs/dbraw/zinc/83/90/83/415839083.db2.gz VPTLYAUDAIRTRP-MSOLQXFVSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000659997943 415839087 /nfs/dbraw/zinc/83/90/87/415839087.db2.gz VPTLYAUDAIRTRP-MSOLQXFVSA-N 2 1 290.451 2.351 20 0 CEADMP C[N@@H+](CC1=CCSC1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000662327788 415784695 /nfs/dbraw/zinc/78/46/95/415784695.db2.gz VEXAUKFGJFNNLT-UHFFFAOYSA-N 2 1 274.433 2.437 20 0 CEADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000662336208 415787144 /nfs/dbraw/zinc/78/71/44/415787144.db2.gz XNUQTJNWEVDCBS-ZNMIVQPWSA-N 2 1 264.413 2.162 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN[C@]1(c2ccccc2)CC1(C)C ZINC000662341170 415791939 /nfs/dbraw/zinc/79/19/39/415791939.db2.gz QKYMOXFYRRNVOC-RDJZCZTQSA-N 2 1 276.424 2.214 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662458268 415851133 /nfs/dbraw/zinc/85/11/33/415851133.db2.gz ZJTAYTCXUXDVST-MRXNPFEDSA-N 2 1 289.423 2.069 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)sn1 ZINC000660113110 415884479 /nfs/dbraw/zinc/88/44/79/415884479.db2.gz MMFQEODVDMDDCE-WCQYABFASA-N 2 1 292.408 2.431 20 0 CEADMP COc1cc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)sn1 ZINC000660113110 415884483 /nfs/dbraw/zinc/88/44/83/415884483.db2.gz MMFQEODVDMDDCE-WCQYABFASA-N 2 1 292.408 2.431 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC1CC=CC1 ZINC000660118243 415890076 /nfs/dbraw/zinc/89/00/76/415890076.db2.gz SWTLFEHLTDZRSQ-PMPSAXMXSA-N 2 1 264.413 2.136 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000662593283 415896388 /nfs/dbraw/zinc/89/63/88/415896388.db2.gz NEOZXBXKISUSAA-OAHLLOKOSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC12CCCCC2 ZINC000660132058 415898038 /nfs/dbraw/zinc/89/80/38/415898038.db2.gz FLASGCKUMUOFFE-HNNXBMFYSA-N 2 1 268.445 2.486 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC12CCCCC2 ZINC000660132058 415898041 /nfs/dbraw/zinc/89/80/41/415898041.db2.gz FLASGCKUMUOFFE-HNNXBMFYSA-N 2 1 268.445 2.486 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC12CCCCC2 ZINC000660132058 415898045 /nfs/dbraw/zinc/89/80/45/415898045.db2.gz FLASGCKUMUOFFE-HNNXBMFYSA-N 2 1 268.445 2.486 20 0 CEADMP CC(C)C[C@H](N)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656781936 415858120 /nfs/dbraw/zinc/85/81/20/415858120.db2.gz AFQYXKIQOZCSCE-HOTGVXAUSA-N 2 1 267.461 2.071 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656781936 415858124 /nfs/dbraw/zinc/85/81/24/415858124.db2.gz AFQYXKIQOZCSCE-HOTGVXAUSA-N 2 1 267.461 2.071 20 0 CEADMP c1cc2c(cc1CN[C@H]1CC[NH2+]C3(CCC3)C1)C[NH2+]CC2 ZINC000656786105 415860811 /nfs/dbraw/zinc/86/08/11/415860811.db2.gz KOBBQYHFVLSFHU-KRWDZBQOSA-N 2 1 285.435 2.097 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662486117 415861476 /nfs/dbraw/zinc/86/14/76/415861476.db2.gz KVEVOQJCDKFDNF-MRXNPFEDSA-N 2 1 289.423 2.069 20 0 CEADMP CC[C@@H](NC[C@H](O)C[N@@H+](C)C(C)C)c1c(C)noc1C ZINC000660260493 415946633 /nfs/dbraw/zinc/94/66/33/415946633.db2.gz TYWUTIPHSIWGGA-UONOGXRCSA-N 2 1 283.416 2.033 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C(C)(C)C1 ZINC000660278246 415952298 /nfs/dbraw/zinc/95/22/98/415952298.db2.gz RHYPVCVIVTVFSF-ZIAGYGMSSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000660278246 415952300 /nfs/dbraw/zinc/95/23/00/415952300.db2.gz RHYPVCVIVTVFSF-ZIAGYGMSSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000660278246 415952302 /nfs/dbraw/zinc/95/23/02/415952302.db2.gz RHYPVCVIVTVFSF-ZIAGYGMSSA-N 2 1 256.434 2.056 20 0 CEADMP O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000318399859 419481023 /nfs/dbraw/zinc/48/10/23/419481023.db2.gz TWHYSJROTMNHHF-INMHGKMJSA-N 2 1 299.418 2.156 20 0 CEADMP O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000318399859 419481031 /nfs/dbraw/zinc/48/10/31/419481031.db2.gz TWHYSJROTMNHHF-INMHGKMJSA-N 2 1 299.418 2.156 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1OC ZINC000666770715 419423995 /nfs/dbraw/zinc/42/39/95/419423995.db2.gz SRHRBMDXYSICJH-ZFWWWQNUSA-N 2 1 292.423 2.367 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)CCN2)cc1 ZINC000666858951 419450692 /nfs/dbraw/zinc/45/06/92/419450692.db2.gz MTASHLNBSNWVSS-ZACQAIPSSA-N 2 1 273.424 2.211 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnc(C2CC2)s1 ZINC000666900777 419461015 /nfs/dbraw/zinc/46/10/15/419461015.db2.gz PCNGKDGYDKNISS-GFCCVEGCSA-N 2 1 265.426 2.498 20 0 CEADMP C[N@@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)C[C@H](O)C[NH3+] ZINC000666987682 419503033 /nfs/dbraw/zinc/50/30/33/419503033.db2.gz YURJDBUCAIQRHJ-CYBMUJFWSA-N 2 1 294.782 2.351 20 0 CEADMP C[N@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)C[C@H](O)C[NH3+] ZINC000666987682 419503042 /nfs/dbraw/zinc/50/30/42/419503042.db2.gz YURJDBUCAIQRHJ-CYBMUJFWSA-N 2 1 294.782 2.351 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)n21 ZINC000666997071 419508719 /nfs/dbraw/zinc/50/87/19/419508719.db2.gz VJDUTMOTAFHYAV-CQSZACIVSA-N 2 1 284.407 2.407 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000667534561 419702980 /nfs/dbraw/zinc/70/29/80/419702980.db2.gz FAZPMHZIHHUHAU-UHFFFAOYSA-N 2 1 290.455 2.382 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667729594 419786190 /nfs/dbraw/zinc/78/61/90/419786190.db2.gz NZQNXLIRGCDYLC-UHFFFAOYSA-N 2 1 290.411 2.093 20 0 CEADMP COCC[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CCCC1 ZINC000666624768 419752912 /nfs/dbraw/zinc/75/29/12/419752912.db2.gz LOZLUQKYDMSNLD-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc3n2CCC3)C[C@H]1C ZINC000667664768 419762523 /nfs/dbraw/zinc/76/25/23/419762523.db2.gz SHSKRUPRWUZXQI-KGLIPLIRSA-N 2 1 276.428 2.134 20 0 CEADMP C[C@H]1C[C@H](N(C)Cc2ccnn2-c2cc[nH+]cc2)CC[N@H+]1C ZINC000667667938 419767691 /nfs/dbraw/zinc/76/76/91/419767691.db2.gz ZEYVWVKTINTCNP-GOEBONIOSA-N 2 1 299.422 2.182 20 0 CEADMP Cc1[nH+]cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1C ZINC000667708798 419775376 /nfs/dbraw/zinc/77/53/76/419775376.db2.gz LHGVCGMNYSHSGM-RHSMWYFYSA-N 2 1 288.439 2.177 20 0 CEADMP Cc1[nH+]cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1C ZINC000667708798 419775380 /nfs/dbraw/zinc/77/53/80/419775380.db2.gz LHGVCGMNYSHSGM-RHSMWYFYSA-N 2 1 288.439 2.177 20 0 CEADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC[N@H+]1CC=CCC1 ZINC000392190581 270340704 /nfs/dbraw/zinc/34/07/04/270340704.db2.gz ACFDXQQUZUKIII-HOTGVXAUSA-N 2 1 265.445 2.149 20 0 CEADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC[N@@H+]1CC=CCC1 ZINC000392190581 270340706 /nfs/dbraw/zinc/34/07/06/270340706.db2.gz ACFDXQQUZUKIII-HOTGVXAUSA-N 2 1 265.445 2.149 20 0 CEADMP CO[C@H]1C[NH+](CCC[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000189371973 260212552 /nfs/dbraw/zinc/21/25/52/260212552.db2.gz NOOAVRIYPOZDMF-LUKYLMHMSA-N 2 1 298.471 2.090 20 0 CEADMP CO[C@H]1C[N@H+](CCC[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000189371973 260212554 /nfs/dbraw/zinc/21/25/54/260212554.db2.gz NOOAVRIYPOZDMF-LUKYLMHMSA-N 2 1 298.471 2.090 20 0 CEADMP CO[C@H]1C[N@@H+](CCC[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000189371973 260212555 /nfs/dbraw/zinc/21/25/55/260212555.db2.gz NOOAVRIYPOZDMF-LUKYLMHMSA-N 2 1 298.471 2.090 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449107083 260220934 /nfs/dbraw/zinc/22/09/34/260220934.db2.gz OBRLRJJTMHSMFB-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000235144838 260240591 /nfs/dbraw/zinc/24/05/91/260240591.db2.gz CRSNIWGFUBLIHR-IUCAKERBSA-N 2 1 257.175 2.447 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000390149365 262141893 /nfs/dbraw/zinc/14/18/93/262141893.db2.gz SPWBTFCVOZKMDU-WMLDXEAASA-N 2 1 284.407 2.243 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000390149365 262141896 /nfs/dbraw/zinc/14/18/96/262141896.db2.gz SPWBTFCVOZKMDU-WMLDXEAASA-N 2 1 284.407 2.243 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390407833 262190004 /nfs/dbraw/zinc/19/00/04/262190004.db2.gz CGOHJVFPIWQGSC-QGZVFWFLSA-N 2 1 298.434 2.409 20 0 CEADMP CCC(CC)[C@@H](C[NH2+][C@H](C)Cc1cnccn1)[NH+](C)C ZINC000453084226 263186303 /nfs/dbraw/zinc/18/63/03/263186303.db2.gz OATMVQYMANIONP-CZUORRHYSA-N 2 1 278.444 2.364 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CF)CCOCC2)[C@H]2CCC[C@H]21 ZINC000453308971 263227043 /nfs/dbraw/zinc/22/70/43/263227043.db2.gz MUGHMEIYXYSANA-QLFBSQMISA-N 2 1 284.419 2.215 20 0 CEADMP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430551516 263263457 /nfs/dbraw/zinc/26/34/57/263263457.db2.gz IKCMLNZSWFEZLA-LZWOXQAQSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430551516 263263458 /nfs/dbraw/zinc/26/34/58/263263458.db2.gz IKCMLNZSWFEZLA-LZWOXQAQSA-N 2 1 295.471 2.131 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C1CC1 ZINC000453396366 263263730 /nfs/dbraw/zinc/26/37/30/263263730.db2.gz ILLPTDIAFXDMJT-KFWWJZLASA-N 2 1 266.429 2.264 20 0 CEADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)s1 ZINC000425932577 263915143 /nfs/dbraw/zinc/91/51/43/263915143.db2.gz QQMKKUHYXPOYCA-NWDGAFQWSA-N 2 1 299.484 2.489 20 0 CEADMP COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106868761 270233059 /nfs/dbraw/zinc/23/30/59/270233059.db2.gz ZNALFSBLDMDVEV-LSDHHAIUSA-N 2 1 260.381 2.412 20 0 CEADMP COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106868761 270233062 /nfs/dbraw/zinc/23/30/62/270233062.db2.gz ZNALFSBLDMDVEV-LSDHHAIUSA-N 2 1 260.381 2.412 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CCCO2)C1 ZINC000189499787 270262607 /nfs/dbraw/zinc/26/26/07/270262607.db2.gz DFUHBPBXAFXWHH-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000189499787 270262609 /nfs/dbraw/zinc/26/26/09/270262609.db2.gz DFUHBPBXAFXWHH-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000189499787 270262611 /nfs/dbraw/zinc/26/26/11/270262611.db2.gz DFUHBPBXAFXWHH-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP C[N@@H+](CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])C1CCCC1 ZINC000237145899 270320066 /nfs/dbraw/zinc/32/00/66/270320066.db2.gz ITWHIMJLWZAARO-HOTGVXAUSA-N 2 1 295.471 2.275 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000397261612 270352407 /nfs/dbraw/zinc/35/24/07/270352407.db2.gz IPUOOQIFFFHSMW-IOASZLSFSA-N 2 1 290.407 2.278 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000398078118 270355674 /nfs/dbraw/zinc/35/56/74/270355674.db2.gz ANBMQDWHSZJPCI-YJBOKZPZSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000398088418 270355709 /nfs/dbraw/zinc/35/57/09/270355709.db2.gz IUIUMHLCIWCIRF-BPQIPLTHSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)CN1Cc1ccccc1 ZINC000398088418 270355710 /nfs/dbraw/zinc/35/57/10/270355710.db2.gz IUIUMHLCIWCIRF-BPQIPLTHSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@H]1C[C@@H](NCCC[NH2+]C2CC2)C[N@H+]1Cc1ccccc1 ZINC000398022104 270356017 /nfs/dbraw/zinc/35/60/17/270356017.db2.gz IJLOHKRJONBHAH-MAUKXSAKSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000398140518 270356922 /nfs/dbraw/zinc/35/69/22/270356922.db2.gz WFOXCUXCVMWKNJ-BPQIPLTHSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000398140518 270356924 /nfs/dbraw/zinc/35/69/24/270356924.db2.gz WFOXCUXCVMWKNJ-BPQIPLTHSA-N 2 1 287.451 2.239 20 0 CEADMP FC(F)(F)CCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420318146 270515094 /nfs/dbraw/zinc/51/50/94/270515094.db2.gz PQAZGASIRVITPI-WDEREUQCSA-N 2 1 250.308 2.403 20 0 CEADMP FC(F)(F)CCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420318146 270515096 /nfs/dbraw/zinc/51/50/96/270515096.db2.gz PQAZGASIRVITPI-WDEREUQCSA-N 2 1 250.308 2.403 20 0 CEADMP C[C@H](NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422800899 270774075 /nfs/dbraw/zinc/77/40/75/270774075.db2.gz DFGIUUMZDDERIQ-NWANDNLSSA-N 2 1 281.469 2.471 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422833865 270786792 /nfs/dbraw/zinc/78/67/92/270786792.db2.gz HBVBHHFPZZMJLI-CZUORRHYSA-N 3 1 265.445 2.110 20 0 CEADMP COCCOc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422868482 270796094 /nfs/dbraw/zinc/79/60/94/270796094.db2.gz VEPKLAUJABYZCQ-IRXDYDNUSA-N 2 1 292.423 2.461 20 0 CEADMP C[C@@H]([NH2+]CCOC1CCCCC1)c1c[nH+]ccc1N ZINC000422942156 270803764 /nfs/dbraw/zinc/80/37/64/270803764.db2.gz IVUOMQHEPGIMFP-GFCCVEGCSA-N 2 1 263.385 2.494 20 0 CEADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423356609 270903759 /nfs/dbraw/zinc/90/37/59/270903759.db2.gz GYIKJKXNHUPXQW-SQWLQELKSA-N 2 1 261.413 2.380 20 0 CEADMP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423736435 270934738 /nfs/dbraw/zinc/93/47/38/270934738.db2.gz YRGZMJXMYFNFGN-FZKCQIBNSA-N 2 1 295.471 2.081 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H]3CN(C[C@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000424289771 271040186 /nfs/dbraw/zinc/04/01/86/271040186.db2.gz CDIPIWXVGGUPNB-GBESFXJTSA-N 2 1 299.462 2.192 20 0 CEADMP O[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000424336745 271047811 /nfs/dbraw/zinc/04/78/11/271047811.db2.gz YNJYXUWMWAWQGD-QXDIGNSFSA-N 2 1 286.419 2.010 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000426761793 271233855 /nfs/dbraw/zinc/23/38/55/271233855.db2.gz DGNXITIMKZVNTC-KFWWJZLASA-N 2 1 283.460 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000429495454 271334725 /nfs/dbraw/zinc/33/47/25/271334725.db2.gz WBDZOCIRVDZYGA-XJKSGUPXSA-N 2 1 289.423 2.197 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccc(F)cc1)CC(C)(C)C[NH3+] ZINC000430565037 271389867 /nfs/dbraw/zinc/38/98/67/271389867.db2.gz DNSUXWKSPFYPGW-UHFFFAOYSA-N 2 1 281.375 2.071 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2nc(CCC(C)C)no2)CC1 ZINC000430565983 271392997 /nfs/dbraw/zinc/39/29/97/271392997.db2.gz RBMZSJYUSMMIBL-UHFFFAOYSA-N 2 1 294.443 2.480 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000430598475 271398256 /nfs/dbraw/zinc/39/82/56/271398256.db2.gz OKITYKICTRXNBU-KEPFICHZSA-N 2 1 295.471 2.129 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000430598475 271398260 /nfs/dbraw/zinc/39/82/60/271398260.db2.gz OKITYKICTRXNBU-KEPFICHZSA-N 2 1 295.471 2.129 20 0 CEADMP C(C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000438178092 271720164 /nfs/dbraw/zinc/72/01/64/271720164.db2.gz OEGUEWZTLCJLIG-HZPDHXFCSA-N 2 1 266.429 2.267 20 0 CEADMP C(C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000438178092 271720166 /nfs/dbraw/zinc/72/01/66/271720166.db2.gz OEGUEWZTLCJLIG-HZPDHXFCSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000414909648 274307304 /nfs/dbraw/zinc/30/73/04/274307304.db2.gz CBRIWYWMMIJPKG-ONERCXAPSA-N 2 1 264.800 2.395 20 0 CEADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)OC1CCCCCC1 ZINC000357083803 275393142 /nfs/dbraw/zinc/39/31/42/275393142.db2.gz QHMBBHCCYTXAFV-HUUCEWRRSA-N 2 1 266.429 2.267 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCn1cccn1 ZINC000353975189 276009289 /nfs/dbraw/zinc/00/92/89/276009289.db2.gz UPWZSJDXKVMPBV-HUUCEWRRSA-N 2 1 264.417 2.126 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCn1cccn1 ZINC000353975189 276009290 /nfs/dbraw/zinc/00/92/90/276009290.db2.gz UPWZSJDXKVMPBV-HUUCEWRRSA-N 2 1 264.417 2.126 20 0 CEADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000344294494 276023820 /nfs/dbraw/zinc/02/38/20/276023820.db2.gz IVEUMUQMDKQMGM-BARDWOONSA-N 2 1 268.445 2.102 20 0 CEADMP CC(C)[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000311979706 276026401 /nfs/dbraw/zinc/02/64/01/276026401.db2.gz MMXXUEXPPRCKHB-GOEBONIOSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000311979706 276026402 /nfs/dbraw/zinc/02/64/02/276026402.db2.gz MMXXUEXPPRCKHB-GOEBONIOSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000311979706 276026403 /nfs/dbraw/zinc/02/64/03/276026403.db2.gz MMXXUEXPPRCKHB-GOEBONIOSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000311979706 276026405 /nfs/dbraw/zinc/02/64/05/276026405.db2.gz MMXXUEXPPRCKHB-GOEBONIOSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](CC)CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000357831295 276094184 /nfs/dbraw/zinc/09/41/84/276094184.db2.gz OMGBIXGFLJAVDM-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000338277636 276096070 /nfs/dbraw/zinc/09/60/70/276096070.db2.gz GBBDMGCXYDLCED-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000338277636 276096072 /nfs/dbraw/zinc/09/60/72/276096072.db2.gz GBBDMGCXYDLCED-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)CC1 ZINC000037158865 276151382 /nfs/dbraw/zinc/15/13/82/276151382.db2.gz PQYCMKURBPFPEN-LBPRGKRZSA-N 2 1 290.411 2.312 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000354279697 276154153 /nfs/dbraw/zinc/15/41/53/276154153.db2.gz CRFRBQVPPWZDFI-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000354279697 276154154 /nfs/dbraw/zinc/15/41/54/276154154.db2.gz CRFRBQVPPWZDFI-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000354279697 276154157 /nfs/dbraw/zinc/15/41/57/276154157.db2.gz CRFRBQVPPWZDFI-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC1CCC([NH2+]CCCN2CCC[N@@H+](C)CC2)CC1 ZINC000174354796 276191035 /nfs/dbraw/zinc/19/10/35/276191035.db2.gz WNKKPXRSRFOOCX-UHFFFAOYSA-N 2 1 267.461 2.182 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000343598325 276260080 /nfs/dbraw/zinc/26/00/80/276260080.db2.gz IQJSWOQBWOMAEV-QKPAOTATSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000343598325 276260082 /nfs/dbraw/zinc/26/00/82/276260082.db2.gz IQJSWOQBWOMAEV-QKPAOTATSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000343598325 276260084 /nfs/dbraw/zinc/26/00/84/276260084.db2.gz IQJSWOQBWOMAEV-QKPAOTATSA-N 2 1 295.471 2.238 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000338290210 276324607 /nfs/dbraw/zinc/32/46/07/276324607.db2.gz LHAJAUCDLQYFIE-GJZGRUSLSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000338290210 276324608 /nfs/dbraw/zinc/32/46/08/276324608.db2.gz LHAJAUCDLQYFIE-GJZGRUSLSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000338283197 276324629 /nfs/dbraw/zinc/32/46/29/276324629.db2.gz HIWDNFNMJRLWGQ-HOTGVXAUSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000347735311 276331985 /nfs/dbraw/zinc/33/19/85/276331985.db2.gz OJHYHIJPKOQIMJ-XHSDSOJGSA-N 2 1 295.471 2.050 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000085384712 276351542 /nfs/dbraw/zinc/35/15/42/276351542.db2.gz IOCCIAJECCMYBT-LSDHHAIUSA-N 2 1 266.429 2.406 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000361762852 276358541 /nfs/dbraw/zinc/35/85/41/276358541.db2.gz FIRIPHAQYJXSEU-ZBFHGGJFSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H]2CCN(C)C[C@H]2C)CC1 ZINC000361762852 276358542 /nfs/dbraw/zinc/35/85/42/276358542.db2.gz FIRIPHAQYJXSEU-ZBFHGGJFSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338079297 276373949 /nfs/dbraw/zinc/37/39/49/276373949.db2.gz GABPMBXLMZFBDY-QKPAOTATSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338079297 276373950 /nfs/dbraw/zinc/37/39/50/276373950.db2.gz GABPMBXLMZFBDY-QKPAOTATSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338079297 276373951 /nfs/dbraw/zinc/37/39/51/276373951.db2.gz GABPMBXLMZFBDY-QKPAOTATSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)CCOCC2)[C@@H](C)C1 ZINC000358232342 276395830 /nfs/dbraw/zinc/39/58/30/276395830.db2.gz BRRFXABIADDKCU-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCO[C@H]2CCC[C@@H]21 ZINC000362179555 277060135 /nfs/dbraw/zinc/06/01/35/277060135.db2.gz NMAZBLLTZVJMPC-ILXRZTDVSA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000362179555 277060136 /nfs/dbraw/zinc/06/01/36/277060136.db2.gz NMAZBLLTZVJMPC-ILXRZTDVSA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000362179555 277060137 /nfs/dbraw/zinc/06/01/37/277060137.db2.gz NMAZBLLTZVJMPC-ILXRZTDVSA-N 2 1 252.402 2.114 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1c1cn[nH]c1 ZINC000245646404 277077961 /nfs/dbraw/zinc/07/79/61/277077961.db2.gz UADVTAZYMPMZJC-GJZGRUSLSA-N 2 1 262.401 2.421 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1c1cn[nH]c1 ZINC000245646404 277077962 /nfs/dbraw/zinc/07/79/62/277077962.db2.gz UADVTAZYMPMZJC-GJZGRUSLSA-N 2 1 262.401 2.421 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000245646404 277077963 /nfs/dbraw/zinc/07/79/63/277077963.db2.gz UADVTAZYMPMZJC-GJZGRUSLSA-N 2 1 262.401 2.421 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000245646404 277077964 /nfs/dbraw/zinc/07/79/64/277077964.db2.gz UADVTAZYMPMZJC-GJZGRUSLSA-N 2 1 262.401 2.421 20 0 CEADMP CC(C)(C)CC[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000187944991 277142098 /nfs/dbraw/zinc/14/20/98/277142098.db2.gz KDQXGYWERDWIDL-AWEZNQCLSA-N 2 1 256.434 2.249 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C(C)C)nc2sc(C)nn12 ZINC000414841933 277282534 /nfs/dbraw/zinc/28/25/34/277282534.db2.gz OKKPREYVMXBHLR-JTQLQIEISA-N 2 1 295.456 2.168 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C2 ZINC000414183226 278037301 /nfs/dbraw/zinc/03/73/01/278037301.db2.gz NCNNHPHHRGRZOU-JGGQBBKZSA-N 2 1 274.408 2.092 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C2 ZINC000414183226 278037304 /nfs/dbraw/zinc/03/73/04/278037304.db2.gz NCNNHPHHRGRZOU-JGGQBBKZSA-N 2 1 274.408 2.092 20 0 CEADMP C[C@H](C(=O)N(C)C[C@H]1CCC[NH+](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000360413080 278135149 /nfs/dbraw/zinc/13/51/49/278135149.db2.gz WPCRSYDBYDTXDQ-QXSJWSMHSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000360413080 278135150 /nfs/dbraw/zinc/13/51/50/278135150.db2.gz WPCRSYDBYDTXDQ-QXSJWSMHSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000360413080 278135151 /nfs/dbraw/zinc/13/51/51/278135151.db2.gz WPCRSYDBYDTXDQ-QXSJWSMHSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000360091018 278189227 /nfs/dbraw/zinc/18/92/27/278189227.db2.gz SXNRPHHLNJMVPG-FPCVCCKLSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000360091018 278189229 /nfs/dbraw/zinc/18/92/29/278189229.db2.gz SXNRPHHLNJMVPG-FPCVCCKLSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000360091018 278189232 /nfs/dbraw/zinc/18/92/32/278189232.db2.gz SXNRPHHLNJMVPG-FPCVCCKLSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC000121185725 278222427 /nfs/dbraw/zinc/22/24/27/278222427.db2.gz RVMRRGMKDYOOSL-ZDUSSCGKSA-N 2 1 275.396 2.088 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(NC(N)=O)cc1 ZINC000156330580 278273583 /nfs/dbraw/zinc/27/35/83/278273583.db2.gz DQNPARILSQPAEL-TYNCELHUSA-N 2 1 290.411 2.311 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(NC(N)=O)cc1 ZINC000156330580 278273585 /nfs/dbraw/zinc/27/35/85/278273585.db2.gz DQNPARILSQPAEL-TYNCELHUSA-N 2 1 290.411 2.311 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)O1 ZINC000372351148 278277746 /nfs/dbraw/zinc/27/77/46/278277746.db2.gz ZDYOECPTRPXLAH-LVQVYYBASA-N 2 1 278.440 2.360 20 0 CEADMP CC1(C)CC[C@H](C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)O1 ZINC000372351148 278277748 /nfs/dbraw/zinc/27/77/48/278277748.db2.gz ZDYOECPTRPXLAH-LVQVYYBASA-N 2 1 278.440 2.360 20 0 CEADMP CC1(C)CC[C@H](C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)O1 ZINC000372351148 278277751 /nfs/dbraw/zinc/27/77/51/278277751.db2.gz ZDYOECPTRPXLAH-LVQVYYBASA-N 2 1 278.440 2.360 20 0 CEADMP CC(C)(C)CC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414781881 278315975 /nfs/dbraw/zinc/31/59/75/278315975.db2.gz NQMUCTVKWOQEFX-CYBMUJFWSA-N 2 1 254.418 2.110 20 0 CEADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000070356248 278388114 /nfs/dbraw/zinc/38/81/14/278388114.db2.gz GAVRQRBIICFLQS-CYBMUJFWSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@]1(C[NH+]2CCC(C(F)(F)F)CC2)CC[NH2+]C1 ZINC000088432717 278560218 /nfs/dbraw/zinc/56/02/18/278560218.db2.gz BFNRIYZNKAXMRH-NSHDSACASA-N 2 1 250.308 2.260 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000361216633 288076103 /nfs/dbraw/zinc/07/61/03/288076103.db2.gz NNLPLHUJRUFOJF-WCVJEAGWSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000361216633 288076105 /nfs/dbraw/zinc/07/61/05/288076105.db2.gz NNLPLHUJRUFOJF-WCVJEAGWSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000361216633 288076107 /nfs/dbraw/zinc/07/61/07/288076107.db2.gz NNLPLHUJRUFOJF-WCVJEAGWSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000252711318 288077026 /nfs/dbraw/zinc/07/70/26/288077026.db2.gz JFGJSUZAXBDCCR-RDBSUJKOSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000252711318 288077031 /nfs/dbraw/zinc/07/70/31/288077031.db2.gz JFGJSUZAXBDCCR-RDBSUJKOSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)N(C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000262590589 279043845 /nfs/dbraw/zinc/04/38/45/279043845.db2.gz SLDBQRRWUGKGHF-HNNXBMFYSA-N 2 1 291.439 2.123 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC[NH+]1CCCCCC1 ZINC000040767810 288103280 /nfs/dbraw/zinc/10/32/80/288103280.db2.gz WHFQBRVMELMQTC-OWCLPIDISA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000359885368 279110626 /nfs/dbraw/zinc/11/06/26/279110626.db2.gz KAUDABQJAMULOT-HOTGVXAUSA-N 2 1 298.471 2.377 20 0 CEADMP CC(C)C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000127790393 279165459 /nfs/dbraw/zinc/16/54/59/279165459.db2.gz ZXJYIZLUOHQPHN-ARFHVFGLSA-N 2 1 267.461 2.179 20 0 CEADMP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000348158621 279178804 /nfs/dbraw/zinc/17/88/04/279178804.db2.gz NBIHYMSIPVXMKH-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000093490875 279262213 /nfs/dbraw/zinc/26/22/13/279262213.db2.gz QYYLCCWPZOESCD-YESZJQIVSA-N 2 1 279.472 2.371 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000093490875 279262214 /nfs/dbraw/zinc/26/22/14/279262214.db2.gz QYYLCCWPZOESCD-YESZJQIVSA-N 3 1 279.472 2.371 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353532352 279275208 /nfs/dbraw/zinc/27/52/08/279275208.db2.gz WKAKBOWJWCSYFL-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353532352 279275209 /nfs/dbraw/zinc/27/52/09/279275209.db2.gz WKAKBOWJWCSYFL-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353532352 279275210 /nfs/dbraw/zinc/27/52/10/279275210.db2.gz WKAKBOWJWCSYFL-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353532352 279275211 /nfs/dbraw/zinc/27/52/11/279275211.db2.gz WKAKBOWJWCSYFL-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353532352 279275212 /nfs/dbraw/zinc/27/52/12/279275212.db2.gz WKAKBOWJWCSYFL-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)CC(C)C)C2)CC1 ZINC000355684815 279372591 /nfs/dbraw/zinc/37/25/91/279372591.db2.gz VIUKRRDKRLQHCZ-CVEARBPZSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000311909742 279372944 /nfs/dbraw/zinc/37/29/44/279372944.db2.gz SABZRYOADXZMHG-UHOFOFEASA-N 2 1 261.413 2.450 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000085384717 279812864 /nfs/dbraw/zinc/81/28/64/279812864.db2.gz IOCCIAJECCMYBT-HUUCEWRRSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H](Cn1cccn1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000138013269 280070115 /nfs/dbraw/zinc/07/01/15/280070115.db2.gz BICRAYQZBBSLRX-INIZCTEOSA-N 2 1 298.434 2.310 20 0 CEADMP C[C@@H](Cn1cccn1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000138013269 280070117 /nfs/dbraw/zinc/07/01/17/280070117.db2.gz BICRAYQZBBSLRX-INIZCTEOSA-N 2 1 298.434 2.310 20 0 CEADMP CC(C)[C@H](C(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000353991214 280150510 /nfs/dbraw/zinc/15/05/10/280150510.db2.gz ADBRXBBEYFHYKO-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090586156 280153205 /nfs/dbraw/zinc/15/32/05/280153205.db2.gz PJYAMLMJRPAZSX-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C(C)C ZINC000128488066 280186736 /nfs/dbraw/zinc/18/67/36/280186736.db2.gz BSYBGPCVMWNKRU-OAHLLOKOSA-N 2 1 255.450 2.038 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000235145434 280221132 /nfs/dbraw/zinc/22/11/32/280221132.db2.gz YRRSABQUFOUUPG-IUCAKERBSA-N 2 1 257.175 2.447 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCN(C)CC(F)(F)F)[C@@H](C)C1 ZINC000246974458 280316446 /nfs/dbraw/zinc/31/64/46/280316446.db2.gz JHMHKFGPJRKUKO-STQMWFEESA-N 2 1 295.393 2.191 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC[NH+]1CCCC[C@H]1C ZINC000247160455 280321855 /nfs/dbraw/zinc/32/18/55/280321855.db2.gz UCQMKEYLSBHVPR-FPCVCCKLSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCC[N@@H+]1CCCC[C@H]1C ZINC000247160455 280321856 /nfs/dbraw/zinc/32/18/56/280321856.db2.gz UCQMKEYLSBHVPR-FPCVCCKLSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCC[N@H+]1CCCC[C@H]1C ZINC000247160455 280321857 /nfs/dbraw/zinc/32/18/57/280321857.db2.gz UCQMKEYLSBHVPR-FPCVCCKLSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN1CCCC[C@H]1C ZINC000247160455 280321858 /nfs/dbraw/zinc/32/18/58/280321858.db2.gz UCQMKEYLSBHVPR-FPCVCCKLSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN1CCCC[C@H]1C ZINC000247160455 280321859 /nfs/dbraw/zinc/32/18/59/280321859.db2.gz UCQMKEYLSBHVPR-FPCVCCKLSA-N 2 1 267.461 2.179 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)[NH+](C)C ZINC000247222178 280323449 /nfs/dbraw/zinc/32/34/49/280323449.db2.gz XSIJPIKMDDZQLF-QEJZJMRPSA-N 2 1 256.434 2.367 20 0 CEADMP C[C@@H]1C[C@@H](NCCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000247978780 280341623 /nfs/dbraw/zinc/34/16/23/280341623.db2.gz LUXLAPRAZLSFKN-OAGGEKHMSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247978780 280341625 /nfs/dbraw/zinc/34/16/25/280341625.db2.gz LUXLAPRAZLSFKN-OAGGEKHMSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247978780 280341626 /nfs/dbraw/zinc/34/16/26/280341626.db2.gz LUXLAPRAZLSFKN-OAGGEKHMSA-N 2 1 267.461 2.323 20 0 CEADMP CCC(CC)(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C(=O)OC ZINC000248375738 280344939 /nfs/dbraw/zinc/34/49/39/280344939.db2.gz XURIVUZNCBJMEV-MGPQQGTHSA-N 2 1 284.444 2.284 20 0 CEADMP COC[C@H](C)C[NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249453976 280398055 /nfs/dbraw/zinc/39/80/55/280398055.db2.gz CYUIIPXEVZZAGG-BARDWOONSA-N 2 1 256.434 2.225 20 0 CEADMP COC[C@H](C)C[NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249453976 280398057 /nfs/dbraw/zinc/39/80/57/280398057.db2.gz CYUIIPXEVZZAGG-BARDWOONSA-N 2 1 256.434 2.225 20 0 CEADMP C([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)[C@H]1CCCCS1 ZINC000423037982 281004981 /nfs/dbraw/zinc/00/49/81/281004981.db2.gz XHEGFCRLRKHBSS-KBUPBQIOSA-N 2 1 284.469 2.019 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1OC ZINC000423378896 281024907 /nfs/dbraw/zinc/02/49/07/281024907.db2.gz WYHIVDRIRMVBBQ-QWRGUYRKSA-N 2 1 252.358 2.010 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2[NH2+]CCCC2(C)C)[C@@H]2CCC[C@H]21 ZINC000423401463 281028258 /nfs/dbraw/zinc/02/82/58/281028258.db2.gz XQICITRWGJJNAT-JONQDZQNSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423478100 281053141 /nfs/dbraw/zinc/05/31/41/281053141.db2.gz MRHQRXJRGDIBIR-JQWIXIFHSA-N 2 1 258.312 2.045 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000423528071 281062315 /nfs/dbraw/zinc/06/23/15/281062315.db2.gz NQCINKDNAYZVDF-LBPRGKRZSA-N 2 1 250.390 2.257 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000423773538 281091671 /nfs/dbraw/zinc/09/16/71/281091671.db2.gz MWQZCAZAXWLMQZ-SOUVJXGZSA-N 2 1 283.460 2.131 20 0 CEADMP CC(C)n1cncc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000424147595 281122464 /nfs/dbraw/zinc/12/24/64/281122464.db2.gz RTHFJYZGUNTKFE-ZIAGYGMSSA-N 2 1 264.417 2.426 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424299643 281143957 /nfs/dbraw/zinc/14/39/57/281143957.db2.gz FHNMBKASNXGBBH-HUUCEWRRSA-N 2 1 261.369 2.005 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424300584 281144086 /nfs/dbraw/zinc/14/40/86/281144086.db2.gz WVCIRXFXBZNRSA-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000424382151 281155110 /nfs/dbraw/zinc/15/51/10/281155110.db2.gz ZXNSISCWEXUCIF-IACUBPJLSA-N 2 1 250.390 2.385 20 0 CEADMP COC1(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CCOCC1 ZINC000428875493 281204901 /nfs/dbraw/zinc/20/49/01/281204901.db2.gz URBCBMYZTMUXNA-MRXNPFEDSA-N 2 1 298.471 2.140 20 0 CEADMP CC[NH+](CC)CCCN1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429041779 281219752 /nfs/dbraw/zinc/21/97/52/281219752.db2.gz QFUIUIUPWYQKLM-GVDBMIGSSA-N 2 1 281.488 2.380 20 0 CEADMP CC[NH+](CC)CCCN1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429041780 281219840 /nfs/dbraw/zinc/21/98/40/281219840.db2.gz QFUIUIUPWYQKLM-IXDOHACOSA-N 2 1 281.488 2.380 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC000430115931 281262589 /nfs/dbraw/zinc/26/25/89/281262589.db2.gz CHCNBVZOPHKFHW-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CCO1 ZINC000430115931 281262592 /nfs/dbraw/zinc/26/25/92/281262592.db2.gz CHCNBVZOPHKFHW-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC000430115931 281262595 /nfs/dbraw/zinc/26/25/95/281262595.db2.gz CHCNBVZOPHKFHW-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP CSc1ccc(OCC[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430615938 281269698 /nfs/dbraw/zinc/26/96/98/281269698.db2.gz DSXQDBGFNSKNAF-ZDUSSCGKSA-N 2 1 280.437 2.458 20 0 CEADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H](C[NH3+])C3)cc2)n1 ZINC000430925739 281280705 /nfs/dbraw/zinc/28/07/05/281280705.db2.gz MFWVVPLAUJGKBS-INIZCTEOSA-N 2 1 284.407 2.270 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000430939569 281283812 /nfs/dbraw/zinc/28/38/12/281283812.db2.gz GUGYLGBDEKGWEO-LBPRGKRZSA-N 2 1 268.788 2.390 20 0 CEADMP CC(C)c1noc([C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000431040340 281287922 /nfs/dbraw/zinc/28/79/22/281287922.db2.gz WHYUVDKXAZVMEK-LBPRGKRZSA-N 2 1 278.400 2.330 20 0 CEADMP C[C@@H]1C[C@H](N(C)CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000435396593 281388182 /nfs/dbraw/zinc/38/81/82/281388182.db2.gz ZLHUTQDSYSCEDX-NVXWUHKLSA-N 2 1 275.440 2.320 20 0 CEADMP CC[N@H+](Cc1cc(OC)cc(C)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435394500 281388383 /nfs/dbraw/zinc/38/83/83/281388383.db2.gz NQNZZPDUNUQPAZ-OAHLLOKOSA-N 2 1 277.412 2.363 20 0 CEADMP CC[N@@H+](Cc1cc(OC)cc(C)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435394500 281388386 /nfs/dbraw/zinc/38/83/86/281388386.db2.gz NQNZZPDUNUQPAZ-OAHLLOKOSA-N 2 1 277.412 2.363 20 0 CEADMP CCN(Cc1cc(OC)cc(C)[nH+]1)[C@@H]1CCC[NH2+]CC1 ZINC000435394500 281388387 /nfs/dbraw/zinc/38/83/87/281388387.db2.gz NQNZZPDUNUQPAZ-OAHLLOKOSA-N 2 1 277.412 2.363 20 0 CEADMP C[NH+](C)CCC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000161942259 289108199 /nfs/dbraw/zinc/10/81/99/289108199.db2.gz NTJPQVYBLBTLJV-MRXNPFEDSA-N 3 1 267.461 2.134 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C)C2CCCC2)CC1 ZINC000154879973 289157324 /nfs/dbraw/zinc/15/73/24/289157324.db2.gz CLUPYYMBIQEQJR-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCC(C)(C)CC2)CC[N@H+]1C ZINC000156118071 289189809 /nfs/dbraw/zinc/18/98/09/289189809.db2.gz XKJRNZZFKPWQNP-KGLIPLIRSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN(C)CC(F)(F)F ZINC000156377833 289194650 /nfs/dbraw/zinc/19/46/50/289194650.db2.gz QKAIMAQYLIKSFI-UPJWGTAASA-N 2 1 295.393 2.189 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCc1c[nH+]cn1C)CC2 ZINC000401781267 289288534 /nfs/dbraw/zinc/28/85/34/289288534.db2.gz WIDCHRMXUBRWRZ-HNNXBMFYSA-N 2 1 285.391 2.118 20 0 CEADMP C[C@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCCCC1 ZINC000118772678 289353282 /nfs/dbraw/zinc/35/32/82/289353282.db2.gz YVPBWGGBSDUXJG-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000414880533 289538439 /nfs/dbraw/zinc/53/84/39/289538439.db2.gz QYKDWJPLULPUBW-YCPHGPKFSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCOC1 ZINC000153696437 290017779 /nfs/dbraw/zinc/01/77/79/290017779.db2.gz OPOZQKWCIUMCME-MELADBBJSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCOC1 ZINC000153696437 290017785 /nfs/dbraw/zinc/01/77/85/290017785.db2.gz OPOZQKWCIUMCME-MELADBBJSA-N 2 1 252.402 2.018 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C1CC(C(C)(C)C)C1 ZINC000459376961 290130349 /nfs/dbraw/zinc/13/03/49/290130349.db2.gz ORHSDCIQUGIKAB-UHFFFAOYSA-N 2 1 256.434 2.369 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@H]1SC ZINC000459390687 290134640 /nfs/dbraw/zinc/13/46/40/290134640.db2.gz OYLBJUVRCRNXDS-BFHYXJOUSA-N 2 1 274.474 2.215 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2C)[C@H]1SC ZINC000459394255 290135941 /nfs/dbraw/zinc/13/59/41/290135941.db2.gz RSEBPQXBAKORNU-MGPQQGTHSA-N 2 1 283.441 2.080 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](O)Cc1ccccc1 ZINC000459445347 290150579 /nfs/dbraw/zinc/15/05/79/290150579.db2.gz GVHGVPXHZNZGGP-RDTXWAMCSA-N 2 1 288.435 2.195 20 0 CEADMP CCOC(=O)C1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459721064 290216521 /nfs/dbraw/zinc/21/65/21/290216521.db2.gz AKMXXKLFIQDLEV-FHERZECASA-N 2 1 296.455 2.430 20 0 CEADMP CCOC(=O)C1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459721066 290216622 /nfs/dbraw/zinc/21/66/22/290216622.db2.gz AKMXXKLFIQDLEV-QQFBHYJXSA-N 2 1 296.455 2.430 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459740506 290223028 /nfs/dbraw/zinc/22/30/28/290223028.db2.gz UMKCZABTFQUDSC-HNNXBMFYSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)N1CCC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459740506 290223030 /nfs/dbraw/zinc/22/30/30/290223030.db2.gz UMKCZABTFQUDSC-HNNXBMFYSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)N1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459740506 290223032 /nfs/dbraw/zinc/22/30/32/290223032.db2.gz UMKCZABTFQUDSC-HNNXBMFYSA-N 2 1 267.461 2.181 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459746985 290225276 /nfs/dbraw/zinc/22/52/76/290225276.db2.gz ZJXBMVLEQJTKEN-OAHLLOKOSA-N 2 1 289.423 2.467 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000459777219 290236371 /nfs/dbraw/zinc/23/63/71/290236371.db2.gz KINCFRAFKNZOGY-HUUCEWRRSA-N 2 1 291.439 2.343 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459805663 290246125 /nfs/dbraw/zinc/24/61/25/290246125.db2.gz LXUIKPXEZPNUQC-CYBMUJFWSA-N 2 1 295.427 2.491 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459805663 290246129 /nfs/dbraw/zinc/24/61/29/290246129.db2.gz LXUIKPXEZPNUQC-CYBMUJFWSA-N 2 1 295.427 2.491 20 0 CEADMP CCC(O)(CC)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000471788387 290283565 /nfs/dbraw/zinc/28/35/65/290283565.db2.gz PYRIPZGGQDTOCL-UONOGXRCSA-N 2 1 254.418 2.144 20 0 CEADMP C(=C\c1ccncc1)\C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000486955058 290323303 /nfs/dbraw/zinc/32/33/03/290323303.db2.gz JXFXUKOQICEOHY-JGPFYOFESA-N 2 1 257.381 2.311 20 0 CEADMP C(=C\c1ccncc1)\C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000486955058 290323306 /nfs/dbraw/zinc/32/33/06/290323306.db2.gz JXFXUKOQICEOHY-JGPFYOFESA-N 2 1 257.381 2.311 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]C/C=C/c2ccncc2)C1 ZINC000486970338 290325168 /nfs/dbraw/zinc/32/51/68/290325168.db2.gz RAIBGWKBANSQCM-LLCTXKFZSA-N 2 1 259.397 2.416 20 0 CEADMP Cc1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)n(C)n1 ZINC000417976975 533693197 /nfs/dbraw/zinc/69/31/97/533693197.db2.gz BPODLPSHUBPBNG-CQSZACIVSA-N 2 1 264.417 2.083 20 0 CEADMP [NH3+]C1(c2noc([C@H]3CCC[N@H+]3C3CCCC3)n2)CCC1 ZINC000414629984 295209434 /nfs/dbraw/zinc/20/94/34/295209434.db2.gz RXIXSWLBLGURIJ-GFCCVEGCSA-N 2 1 276.384 2.487 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H]2c2ccnn2C)CC[NH2+]1 ZINC000414761326 297251933 /nfs/dbraw/zinc/25/19/33/297251933.db2.gz ITLNYPZGGBAHLJ-YCPHGPKFSA-N 2 1 276.428 2.335 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(CO)ccc1F ZINC000530219493 298054660 /nfs/dbraw/zinc/05/46/60/298054660.db2.gz PYPHGBVVSGFQNP-CQSZACIVSA-N 2 1 266.360 2.021 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(CO)ccc1F ZINC000530219493 298054662 /nfs/dbraw/zinc/05/46/62/298054662.db2.gz PYPHGBVVSGFQNP-CQSZACIVSA-N 2 1 266.360 2.021 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1N(C)C ZINC000530460380 298072766 /nfs/dbraw/zinc/07/27/66/298072766.db2.gz PDUVKTSOQSGURI-CYBMUJFWSA-N 2 1 272.396 2.379 20 0 CEADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000539060602 298244364 /nfs/dbraw/zinc/24/43/64/298244364.db2.gz VBBSBODXCNYQFY-BFYDXBDKSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000539060602 298244368 /nfs/dbraw/zinc/24/43/68/298244368.db2.gz VBBSBODXCNYQFY-BFYDXBDKSA-N 2 1 276.424 2.400 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC(=O)Nc2ccccc21 ZINC000543401161 298308175 /nfs/dbraw/zinc/30/81/75/298308175.db2.gz KKIWLHOLSMSDBN-CQSZACIVSA-N 2 1 284.363 2.255 20 0 CEADMP Cc1cccnc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334870065 302235626 /nfs/dbraw/zinc/23/56/26/302235626.db2.gz SRWKDLAMCZGPCG-GOEBONIOSA-N 2 1 259.397 2.354 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000357066180 303383416 /nfs/dbraw/zinc/38/34/16/303383416.db2.gz BWEUGVBGLXDQBR-AWEZNQCLSA-N 2 1 268.788 2.452 20 0 CEADMP CN(CCC[N@@H+](C)CC1CC[NH2+]CC1)C(=O)OC(C)(C)C ZINC000497112869 313028510 /nfs/dbraw/zinc/02/85/10/313028510.db2.gz LXRKTFWKUHIEDN-UHFFFAOYSA-N 2 1 299.459 2.175 20 0 CEADMP Cc1[nH+]ccn1CCCSCC1CC[NH2+]CC1 ZINC000515645078 313074804 /nfs/dbraw/zinc/07/48/04/313074804.db2.gz PZQIGJQQSWEHNC-UHFFFAOYSA-N 2 1 253.415 2.314 20 0 CEADMP COC[C@H](C)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000527106401 313166112 /nfs/dbraw/zinc/16/61/12/313166112.db2.gz IWZRVXJYGDWAIF-CQSZACIVSA-N 2 1 256.434 2.321 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3COC3)CC23CC3)cc1 ZINC000527821530 313208777 /nfs/dbraw/zinc/20/87/77/313208777.db2.gz UZQUZMVPHVCKLS-QGZVFWFLSA-N 2 1 286.419 2.420 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3COC3)CC23CC3)cc1 ZINC000527821530 313208781 /nfs/dbraw/zinc/20/87/81/313208781.db2.gz UZQUZMVPHVCKLS-QGZVFWFLSA-N 2 1 286.419 2.420 20 0 CEADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000530224987 313285316 /nfs/dbraw/zinc/28/53/16/313285316.db2.gz NOKGTSWTAGXJPZ-INIZCTEOSA-N 2 1 292.398 2.211 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000530227230 313285673 /nfs/dbraw/zinc/28/56/73/313285673.db2.gz WHRRHYGEWHVWLT-JLJPHGGASA-N 2 1 294.414 2.300 20 0 CEADMP CC(C)N1CC[C@@H]([NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C1=O ZINC000530870626 313310222 /nfs/dbraw/zinc/31/02/22/313310222.db2.gz JBANTTPGPWPLGD-MRXNPFEDSA-N 2 1 295.471 2.048 20 0 CEADMP C[NH2+]C[C@](C)(O)C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000565093084 313795653 /nfs/dbraw/zinc/79/56/53/313795653.db2.gz PFJWZCFOMDEIPD-GWCFXTLKSA-N 2 1 290.329 2.326 20 0 CEADMP Cc1cccc2c1cc[nH+]c2NC[C@H]1C[NH2+]CCCO1 ZINC000569576573 314001619 /nfs/dbraw/zinc/00/16/19/314001619.db2.gz BGIHGEBZFCNNGY-CYBMUJFWSA-N 2 1 271.364 2.334 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000569821899 314016544 /nfs/dbraw/zinc/01/65/44/314016544.db2.gz FFKZONJOYMFJNU-HNNXBMFYSA-N 2 1 277.412 2.292 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc(C2CC2)s1 ZINC000570026330 314023052 /nfs/dbraw/zinc/02/30/52/314023052.db2.gz OWMNESBJGGKZRZ-BXKDBHETSA-N 2 1 251.399 2.108 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000570320933 314032786 /nfs/dbraw/zinc/03/27/86/314032786.db2.gz OXSPJSSIRDFYEI-ZIAGYGMSSA-N 2 1 276.380 2.207 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000576356271 314267801 /nfs/dbraw/zinc/26/78/01/314267801.db2.gz ABCJWXZZIDHUAB-KRWDZBQOSA-N 2 1 290.451 2.353 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000576924268 314323360 /nfs/dbraw/zinc/32/33/60/314323360.db2.gz NNCYMBNHABJOTP-QWHCGFSZSA-N 2 1 275.396 2.225 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000577040913 314335006 /nfs/dbraw/zinc/33/50/06/314335006.db2.gz GWNXRSZBUJGRFA-AWEZNQCLSA-N 2 1 273.424 2.392 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000414945797 533703479 /nfs/dbraw/zinc/70/34/79/533703479.db2.gz IWRWZQKWRNVMPW-JQWIXIFHSA-N 2 1 252.333 2.064 20 0 CEADMP C[NH+](C[C@H]1CCCC[C@H]1O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394427899 329119541 /nfs/dbraw/zinc/11/95/41/329119541.db2.gz UTMQTBVESXFHFM-WOFIAXNJSA-N 2 1 266.429 2.095 20 0 CEADMP CC(C)CC[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000580710314 322337388 /nfs/dbraw/zinc/33/73/88/322337388.db2.gz ZJAMCNXTVXEUPI-CABCVRRESA-N 2 1 256.434 2.105 20 0 CEADMP C[C@]1(C[NH2+]Cc2ccc(F)cc2F)CCC[NH2+]C1 ZINC000580880548 322351276 /nfs/dbraw/zinc/35/12/76/322351276.db2.gz USCGQGJYSSLEJE-AWEZNQCLSA-N 2 1 254.324 2.444 20 0 CEADMP C[C@@]1(C[NH2+]Cc2cnc(C3CC3)s2)CCC[NH2+]C1 ZINC000581297939 322384603 /nfs/dbraw/zinc/38/46/03/322384603.db2.gz DWMDQKIUKJHAOE-CQSZACIVSA-N 2 1 265.426 2.500 20 0 CEADMP C[C@H]([NH2+][C@H]1COc2ccc(F)cc21)[C@H]1CCC[NH2+]C1 ZINC000583806503 322569343 /nfs/dbraw/zinc/56/93/43/322569343.db2.gz MUNDWOHMBBFUSC-MJVIPROJSA-N 2 1 264.344 2.237 20 0 CEADMP C[N@@H+](C[C@H]1CCCC[C@H]1O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394427899 329119539 /nfs/dbraw/zinc/11/95/39/329119539.db2.gz UTMQTBVESXFHFM-WOFIAXNJSA-N 2 1 266.429 2.095 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000396421028 329320249 /nfs/dbraw/zinc/32/02/49/329320249.db2.gz OWPHFATYLBFHIF-UHFFFAOYSA-N 2 1 294.361 2.296 20 0 CEADMP CCCC[NH+]1CCC(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000352748928 500658035 /nfs/dbraw/zinc/65/80/35/500658035.db2.gz NVJMKMIRVZYPCA-PBHICJAKSA-N 2 1 279.472 2.323 20 0 CEADMP CCCC[NH+]1CCC([NH2+][C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000352748928 500658039 /nfs/dbraw/zinc/65/80/39/500658039.db2.gz NVJMKMIRVZYPCA-PBHICJAKSA-N 2 1 279.472 2.323 20 0 CEADMP OC[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411280412 534382384 /nfs/dbraw/zinc/38/23/84/534382384.db2.gz FESVFRGIJNHEHV-GOSISDBHSA-N 2 1 288.435 2.487 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357836008 534447982 /nfs/dbraw/zinc/44/79/82/534447982.db2.gz RBJFXCKVEGUYRV-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357836008 534447986 /nfs/dbraw/zinc/44/79/86/534447986.db2.gz RBJFXCKVEGUYRV-PMPSAXMXSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357836008 534447993 /nfs/dbraw/zinc/44/79/93/534447993.db2.gz RBJFXCKVEGUYRV-PMPSAXMXSA-N 3 1 281.488 2.427 20 0 CEADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]2CCCO[C@@H]21 ZINC000157532934 520672850 /nfs/dbraw/zinc/67/28/50/520672850.db2.gz JFSSKDOJBJQBQS-LJIZCISZSA-N 2 1 278.440 2.406 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2[C@@H]1C=CCCC1 ZINC000374431359 522056615 /nfs/dbraw/zinc/05/66/15/522056615.db2.gz XCOPYDZUOAMUQH-KLHDSHLOSA-N 2 1 264.413 2.279 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000163919016 522194056 /nfs/dbraw/zinc/19/40/56/522194056.db2.gz HFXSEINEJNRLFS-SWLSCSKDSA-N 2 1 292.423 2.429 20 0 CEADMP COc1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000157980284 524960687 /nfs/dbraw/zinc/96/06/87/524960687.db2.gz MDSMAOHNPZBFBV-HUUCEWRRSA-N 2 1 290.407 2.290 20 0 CEADMP Cc1cc(N2CCC[N@H+]([C@H](C)CO)CC2)c2ccccc2[nH+]1 ZINC000368974034 525066993 /nfs/dbraw/zinc/06/69/93/525066993.db2.gz MZSCVXWRIRGTRI-OAHLLOKOSA-N 2 1 299.418 2.436 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000365663336 527457133 /nfs/dbraw/zinc/45/71/33/527457133.db2.gz MTIPXZUMNLPSIU-MRXNPFEDSA-N 2 1 290.455 2.476 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCOC(C)C)C1 ZINC000176283604 527847881 /nfs/dbraw/zinc/84/78/81/527847881.db2.gz FIWSVOSTXNHQKS-OAHLLOKOSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCOC(C)C)C1 ZINC000176283604 527847885 /nfs/dbraw/zinc/84/78/85/527847885.db2.gz FIWSVOSTXNHQKS-OAHLLOKOSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCOC(C)C)C1 ZINC000176283604 527847887 /nfs/dbraw/zinc/84/78/87/527847887.db2.gz FIWSVOSTXNHQKS-OAHLLOKOSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2c(C)noc2C)C1 ZINC000166250581 527848090 /nfs/dbraw/zinc/84/80/90/527848090.db2.gz YGFFMVRZRPVDNY-OAHLLOKOSA-N 2 1 279.428 2.498 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2c(C)noc2C)C1 ZINC000166250581 527848095 /nfs/dbraw/zinc/84/80/95/527848095.db2.gz YGFFMVRZRPVDNY-OAHLLOKOSA-N 2 1 279.428 2.498 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2c(C)noc2C)C1 ZINC000166250581 527848099 /nfs/dbraw/zinc/84/80/99/527848099.db2.gz YGFFMVRZRPVDNY-OAHLLOKOSA-N 2 1 279.428 2.498 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2c(C)noc2C)C1 ZINC000166250581 527848103 /nfs/dbraw/zinc/84/81/03/527848103.db2.gz YGFFMVRZRPVDNY-OAHLLOKOSA-N 2 1 279.428 2.498 20 0 CEADMP CCCCNC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116397460 528523084 /nfs/dbraw/zinc/52/30/84/528523084.db2.gz IVJQXECHCLZFPT-ZIAGYGMSSA-N 2 1 285.476 2.247 20 0 CEADMP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H](O)C(C)C ZINC000414518436 529190222 /nfs/dbraw/zinc/19/02/22/529190222.db2.gz BFMMOSVBXGQHAX-OCCSQVGLSA-N 2 1 285.457 2.090 20 0 CEADMP C[NH+](C)CCOC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000732667579 574625578 /nfs/dbraw/zinc/62/55/78/574625578.db2.gz RROFGYSKZYCAIN-UHFFFAOYSA-N 2 1 297.830 2.278 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000735650240 574763529 /nfs/dbraw/zinc/76/35/29/574763529.db2.gz NOIIDTHZOXYQTC-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000735650240 574763530 /nfs/dbraw/zinc/76/35/30/574763530.db2.gz NOIIDTHZOXYQTC-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000735650240 574763531 /nfs/dbraw/zinc/76/35/31/574763531.db2.gz NOIIDTHZOXYQTC-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000738427857 574862459 /nfs/dbraw/zinc/86/24/59/574862459.db2.gz TYQUQXJUAKUXRF-XHSDSOJGSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000738427857 574862460 /nfs/dbraw/zinc/86/24/60/574862460.db2.gz TYQUQXJUAKUXRF-XHSDSOJGSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000749130731 575206637 /nfs/dbraw/zinc/20/66/37/575206637.db2.gz YRNLBVFSDLZSIE-AWEZNQCLSA-N 2 1 268.788 2.057 20 0 CEADMP CC[NH+]1CCC(CNc2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000751110359 575283009 /nfs/dbraw/zinc/28/30/09/575283009.db2.gz BEBRPORBVWXYMQ-UHFFFAOYSA-N 2 1 289.427 2.221 20 0 CEADMP CS[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000310298723 628958753 /nfs/dbraw/zinc/95/87/53/628958753.db2.gz TVGJBPIQQBZTQP-GXTWGEPZSA-N 2 1 254.443 2.487 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948243671 614091450 /nfs/dbraw/zinc/09/14/50/614091450.db2.gz BXHIHKUSAUUDGU-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000948243671 614091451 /nfs/dbraw/zinc/09/14/51/614091451.db2.gz BXHIHKUSAUUDGU-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000948243671 614091452 /nfs/dbraw/zinc/09/14/52/614091452.db2.gz BXHIHKUSAUUDGU-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000957279115 614595904 /nfs/dbraw/zinc/59/59/04/614595904.db2.gz RQGHTFJMVZEFGP-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC ZINC000968882063 614662054 /nfs/dbraw/zinc/66/20/54/614662054.db2.gz GOBKMZFNJZYYLQ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC ZINC000968882063 614662057 /nfs/dbraw/zinc/66/20/57/614662057.db2.gz GOBKMZFNJZYYLQ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC ZINC000968882063 614662060 /nfs/dbraw/zinc/66/20/60/614662060.db2.gz GOBKMZFNJZYYLQ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948388727 614674117 /nfs/dbraw/zinc/67/41/17/614674117.db2.gz JNHNTXQOLHDORW-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948388727 614674119 /nfs/dbraw/zinc/67/41/19/614674119.db2.gz JNHNTXQOLHDORW-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948388727 614674122 /nfs/dbraw/zinc/67/41/22/614674122.db2.gz JNHNTXQOLHDORW-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC ZINC000968882061 614678319 /nfs/dbraw/zinc/67/83/19/614678319.db2.gz GOBKMZFNJZYYLQ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC ZINC000968882061 614678320 /nfs/dbraw/zinc/67/83/20/614678320.db2.gz GOBKMZFNJZYYLQ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC ZINC000968882061 614678322 /nfs/dbraw/zinc/67/83/22/614678322.db2.gz GOBKMZFNJZYYLQ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974575927 614810431 /nfs/dbraw/zinc/81/04/31/614810431.db2.gz KFEOYVFCJHFVLL-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974575927 614810433 /nfs/dbraw/zinc/81/04/33/614810433.db2.gz KFEOYVFCJHFVLL-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974575927 614810436 /nfs/dbraw/zinc/81/04/36/614810436.db2.gz KFEOYVFCJHFVLL-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000963902989 614881761 /nfs/dbraw/zinc/88/17/61/614881761.db2.gz UKQFTXIBXDCEJD-QQFBHYJXSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000951382849 614964590 /nfs/dbraw/zinc/96/45/90/614964590.db2.gz HLQBMFHLBQWTSE-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCC)CC1 ZINC000957286952 614980347 /nfs/dbraw/zinc/98/03/47/614980347.db2.gz PJIBHUINMSBZII-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCC)CC1 ZINC000957286952 614980350 /nfs/dbraw/zinc/98/03/50/614980350.db2.gz PJIBHUINMSBZII-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[NH+](C(C)C)CC1(C)C ZINC000977656288 615115594 /nfs/dbraw/zinc/11/55/94/615115594.db2.gz PJLXWQFEZIKNMH-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[N@@H+](C(C)C)CC1(C)C ZINC000977656288 615115595 /nfs/dbraw/zinc/11/55/95/615115595.db2.gz PJLXWQFEZIKNMH-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[N@H+](C(C)C)CC1(C)C ZINC000977656288 615115596 /nfs/dbraw/zinc/11/55/96/615115596.db2.gz PJLXWQFEZIKNMH-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC000981509916 615116643 /nfs/dbraw/zinc/11/66/43/615116643.db2.gz HIDSDCPDEIWRSF-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000981509916 615116644 /nfs/dbraw/zinc/11/66/44/615116644.db2.gz HIDSDCPDEIWRSF-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000981509916 615116645 /nfs/dbraw/zinc/11/66/45/615116645.db2.gz HIDSDCPDEIWRSF-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H](C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000950628322 615434853 /nfs/dbraw/zinc/43/48/53/615434853.db2.gz UNTGQBIANKQIFK-GDBMZVCRSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]C(C)C)C1 ZINC001024009904 625290231 /nfs/dbraw/zinc/29/02/31/625290231.db2.gz AIXXIQSZFKSIEY-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000892463082 625525285 /nfs/dbraw/zinc/52/52/85/625525285.db2.gz UVYPVPXUCQYUIA-UHFFFAOYSA-N 2 1 265.376 2.495 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCC ZINC001024468618 625568071 /nfs/dbraw/zinc/56/80/71/625568071.db2.gz LMRFLWAIIQLLIN-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC ZINC001024468618 625568080 /nfs/dbraw/zinc/56/80/80/625568080.db2.gz LMRFLWAIIQLLIN-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC ZINC001024468618 625568089 /nfs/dbraw/zinc/56/80/89/625568089.db2.gz LMRFLWAIIQLLIN-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NC2CCCCCC2)C1 ZINC000092277793 622581938 /nfs/dbraw/zinc/58/19/38/622581938.db2.gz KOYBNOLVXFNRFP-CQSZACIVSA-N 2 1 280.460 2.345 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CC[NH2+]C(C)(C)C ZINC000932757041 623108645 /nfs/dbraw/zinc/10/86/45/623108645.db2.gz QYKXJMGVZQJOHL-AWEZNQCLSA-N 2 1 283.460 2.145 20 0 CEADMP Cc1nc(C)c(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)s1 ZINC000261542138 623365790 /nfs/dbraw/zinc/36/57/90/623365790.db2.gz BVWNIVZHNPVUHV-GFCCVEGCSA-N 2 1 253.415 2.238 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C12CCC2 ZINC000308384893 623675198 /nfs/dbraw/zinc/67/51/98/623675198.db2.gz ZWNFTWDDNAXAHY-UONOGXRCSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1oc2ccccc2c1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000926174028 623744919 /nfs/dbraw/zinc/74/49/19/623744919.db2.gz ONLXXGLJWUEBQI-SJKOYZFVSA-N 2 1 288.391 2.458 20 0 CEADMP Cc1oc2ccccc2c1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000926174028 623744925 /nfs/dbraw/zinc/74/49/25/623744925.db2.gz ONLXXGLJWUEBQI-SJKOYZFVSA-N 2 1 288.391 2.458 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC000933439450 623745114 /nfs/dbraw/zinc/74/51/14/623745114.db2.gz PVVYIEPEGPCPFZ-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP Cc1cc([C@@H]2CCC[N@@H+]2CC2CC[NH+](C)CC2)on1 ZINC000891719399 623925589 /nfs/dbraw/zinc/92/55/89/623925589.db2.gz RKYKDZOZBQVZOU-AWEZNQCLSA-N 2 1 263.385 2.462 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000891826218 623998523 /nfs/dbraw/zinc/99/85/23/623998523.db2.gz MVZDLQSXMYPGFZ-CQSZACIVSA-N 2 1 280.437 2.463 20 0 CEADMP Cc1cc(N)nc(NCCCC[N@@H+]2CCC[C@H](C)C2)[nH+]1 ZINC000891847253 624019127 /nfs/dbraw/zinc/01/91/27/624019127.db2.gz VNHQALABUNTQCC-LBPRGKRZSA-N 2 1 277.416 2.291 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC([NH3+])(CC)CC1 ZINC000891909824 624091066 /nfs/dbraw/zinc/09/10/66/624091066.db2.gz MKJLKNVTHDTHMC-CQSZACIVSA-N 2 1 298.475 2.020 20 0 CEADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cnc1F ZINC000891933286 624115014 /nfs/dbraw/zinc/11/50/14/624115014.db2.gz FBWGRYJMNNZVHQ-UHFFFAOYSA-N 2 1 265.376 2.303 20 0 CEADMP Cc1cc(N)nc(NCC[N@H+](C)C2CCCCC2)n1 ZINC000892031832 624262326 /nfs/dbraw/zinc/26/23/26/624262326.db2.gz BKGPJGIUFQCFPT-UHFFFAOYSA-N 2 1 263.389 2.044 20 0 CEADMP Cc1cc(N)nc(NCC[N@@H+](C)C2CCCCC2)[nH+]1 ZINC000892031832 624262327 /nfs/dbraw/zinc/26/23/27/624262327.db2.gz BKGPJGIUFQCFPT-UHFFFAOYSA-N 2 1 263.389 2.044 20 0 CEADMP Cc1cc(N)nc(NCC[N@H+](C)C2CCCCC2)[nH+]1 ZINC000892031832 624262328 /nfs/dbraw/zinc/26/23/28/624262328.db2.gz BKGPJGIUFQCFPT-UHFFFAOYSA-N 2 1 263.389 2.044 20 0 CEADMP COCCCC1(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCC1 ZINC000892059115 624284435 /nfs/dbraw/zinc/28/44/35/624284435.db2.gz WAZIADZJLZZXMX-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP COCCCC1(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCC1 ZINC000892059115 624284436 /nfs/dbraw/zinc/28/44/36/624284436.db2.gz WAZIADZJLZZXMX-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1ccc([C@H](CNc2nc(N)cc(C)[nH+]2)[NH+](C)C)cc1 ZINC000892076194 624299559 /nfs/dbraw/zinc/29/95/59/624299559.db2.gz VPDJJHDYENDSGF-AWEZNQCLSA-N 2 1 285.395 2.390 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCOC12CCCC2 ZINC000934386767 624459812 /nfs/dbraw/zinc/45/98/12/624459812.db2.gz QNVLXNITJWGWNC-KGLIPLIRSA-N 2 1 252.402 2.162 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000120321984 624710462 /nfs/dbraw/zinc/71/04/62/624710462.db2.gz VYPXURNRGMILLR-KFWWJZLASA-N 2 1 255.450 2.035 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C2CC2)C1 ZINC000782191625 625052558 /nfs/dbraw/zinc/05/25/58/625052558.db2.gz XXUXENFAUAXHEH-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H](Cc1ccccn1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000926559325 625076114 /nfs/dbraw/zinc/07/61/14/625076114.db2.gz MPAYIOMBWHCXQZ-AWEZNQCLSA-N 2 1 261.413 2.477 20 0 CEADMP CCc1[nH+]ccn1[C@H]1CCCN(c2cc[nH+]cc2CO)C1 ZINC000892384081 625138685 /nfs/dbraw/zinc/13/86/85/625138685.db2.gz HBNWXNCEMJOVBD-AWEZNQCLSA-N 2 1 286.379 2.174 20 0 CEADMP CCn1cnc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000902048843 634437935 /nfs/dbraw/zinc/43/79/35/634437935.db2.gz JLWQAXRIMHUXRF-UHFFFAOYSA-N 2 1 272.396 2.254 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(F)cc1C ZINC000892510815 625744658 /nfs/dbraw/zinc/74/46/58/625744658.db2.gz VIENSBMCJWCDOK-NSHDSACASA-N 2 1 276.359 2.460 20 0 CEADMP C[C@@H](O)C[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820810692 634537197 /nfs/dbraw/zinc/53/71/97/634537197.db2.gz BZYKRZJFILHLEV-RRYDCEEVSA-N 2 1 266.429 2.141 20 0 CEADMP CC(=O)OC[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000892585525 627290430 /nfs/dbraw/zinc/29/04/30/627290430.db2.gz VDBPXJKKERMBGN-UONOGXRCSA-N 2 1 270.417 2.182 20 0 CEADMP Clc1ncccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310870196 627310878 /nfs/dbraw/zinc/31/08/78/627310878.db2.gz PPIIMGGEDXRRLU-TXEJJXNPSA-N 2 1 265.788 2.166 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn2ccnc2s1 ZINC000892622910 627320200 /nfs/dbraw/zinc/32/02/00/627320200.db2.gz VCGDZQICVGMALB-UHFFFAOYSA-N 2 1 275.381 2.081 20 0 CEADMP C[NH2+]C1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000311860989 627710535 /nfs/dbraw/zinc/71/05/35/627710535.db2.gz KHOYPZDDDWPDFS-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP C[C@@H]([NH2+]CCOC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000851926729 627765886 /nfs/dbraw/zinc/76/58/86/627765886.db2.gz WKZYFXWMYNPUIO-VXGBXAGGSA-N 2 1 276.371 2.468 20 0 CEADMP CCc1cc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)nc(CC)n1 ZINC000892840300 627806216 /nfs/dbraw/zinc/80/62/16/627806216.db2.gz OZSBZIUAHDIAQY-JSGCOSHPSA-N 2 1 276.428 2.378 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000925513664 628048454 /nfs/dbraw/zinc/04/84/54/628048454.db2.gz AARNUUSRIPFPFK-AWEZNQCLSA-N 2 1 266.360 2.325 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000925513972 628049917 /nfs/dbraw/zinc/04/99/17/628049917.db2.gz CJHSFSKVLAYCMU-WFASDCNBSA-N 2 1 266.360 2.325 20 0 CEADMP COc1cc(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)ccc1C ZINC000925521103 628076469 /nfs/dbraw/zinc/07/64/69/628076469.db2.gz IRNNTNNLKOJLAA-UKRRQHHQSA-N 2 1 262.397 2.276 20 0 CEADMP C[C@H](C[NH3+])CN[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902393193 634632284 /nfs/dbraw/zinc/63/22/84/634632284.db2.gz NKMLJIMJJDYADT-IAQYHMDHSA-N 2 1 285.382 2.319 20 0 CEADMP CC1CC[NH+](CCCCN[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925553569 628208410 /nfs/dbraw/zinc/20/84/10/628208410.db2.gz QUQIHZWIISPKTB-OAHLLOKOSA-N 2 1 267.461 2.229 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cn1 ZINC000925570566 628243533 /nfs/dbraw/zinc/24/35/33/628243533.db2.gz BFWABQCTYNFEGR-OAHLLOKOSA-N 2 1 259.397 2.197 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925578529 628256095 /nfs/dbraw/zinc/25/60/95/628256095.db2.gz WPHZPKYVDFPYFG-MJBXVCDLSA-N 2 1 255.450 2.212 20 0 CEADMP CC[C@H](C)N(C)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925578529 628256098 /nfs/dbraw/zinc/25/60/98/628256098.db2.gz WPHZPKYVDFPYFG-MJBXVCDLSA-N 2 1 255.450 2.212 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000893305302 628282527 /nfs/dbraw/zinc/28/25/27/628282527.db2.gz UKRLUMQKLFGHPM-NWDGAFQWSA-N 2 1 273.218 2.011 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1cccc(F)c1F ZINC000925599024 628278154 /nfs/dbraw/zinc/27/81/54/628278154.db2.gz WCSLSIXZLWBRGJ-MFKMUULPSA-N 2 1 254.324 2.237 20 0 CEADMP COC[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925601454 628280959 /nfs/dbraw/zinc/28/09/59/628280959.db2.gz ZQDLSRVYXYBHLY-KKUMJFAQSA-N 2 1 260.381 2.234 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925613138 628296380 /nfs/dbraw/zinc/29/63/80/628296380.db2.gz QBUZHXFQUPYBGP-RBSFLKMASA-N 2 1 267.461 2.214 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925613138 628296383 /nfs/dbraw/zinc/29/63/83/628296383.db2.gz QBUZHXFQUPYBGP-RBSFLKMASA-N 3 1 267.461 2.214 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925613138 628296385 /nfs/dbraw/zinc/29/63/85/628296385.db2.gz QBUZHXFQUPYBGP-RBSFLKMASA-N 3 1 267.461 2.214 20 0 CEADMP Fc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000188972495 628299815 /nfs/dbraw/zinc/29/98/15/628299815.db2.gz WIFQSZLKQVBBKT-UHFFFAOYSA-N 2 1 251.349 2.186 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)nc2)C1 ZINC000189138724 628304582 /nfs/dbraw/zinc/30/45/82/628304582.db2.gz YVKBXILVRNWMEY-STQMWFEESA-N 2 1 251.349 2.183 20 0 CEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C/C=C/Cl)[C@H](C)C1 ZINC000189994054 628324055 /nfs/dbraw/zinc/32/40/55/628324055.db2.gz LLRBXRUJCNSOLT-KMEUXCNSSA-N 2 1 274.836 2.466 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C/Cl)[C@H](C)C1 ZINC000189994054 628324057 /nfs/dbraw/zinc/32/40/57/628324057.db2.gz LLRBXRUJCNSOLT-KMEUXCNSSA-N 2 1 274.836 2.466 20 0 CEADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000931044653 628344222 /nfs/dbraw/zinc/34/42/22/628344222.db2.gz VIZJRKGDHWCBKE-NJAFHUGGSA-N 2 1 287.451 2.285 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C1(c2ccccc2F)CC1 ZINC000298548824 628452646 /nfs/dbraw/zinc/45/26/46/628452646.db2.gz UMCPVTQFVGHYEB-UHFFFAOYSA-N 2 1 259.328 2.381 20 0 CEADMP CC[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925679146 628471618 /nfs/dbraw/zinc/47/16/18/628471618.db2.gz HTBRTDGOHUKEDU-MNOVXSKESA-N 2 1 280.334 2.218 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CC2(C)C)C1(C)C ZINC000902440818 634658570 /nfs/dbraw/zinc/65/85/70/634658570.db2.gz AMCINMRRUFJEQF-FRRDWIJNSA-N 2 1 254.418 2.166 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925684379 628489424 /nfs/dbraw/zinc/48/94/24/628489424.db2.gz ALDODEHPAXTTHJ-ILXRZTDVSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000925690429 628505399 /nfs/dbraw/zinc/50/53/99/628505399.db2.gz VEZXUYCJFKESOK-KNCOVGOOSA-N 2 1 275.396 2.032 20 0 CEADMP COc1cccc2c1CC[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)C2 ZINC000902443183 634660621 /nfs/dbraw/zinc/66/06/21/634660621.db2.gz KOWUZZATRCTNKX-CJNGLKHVSA-N 2 1 274.408 2.140 20 0 CEADMP C[NH+]1C[C@]2(C)C[NH+](CCC3CCOCC3)C[C@@]2(C)C1 ZINC000931314382 628515990 /nfs/dbraw/zinc/51/59/90/628515990.db2.gz NHHRJPGCJBOTSS-HZPDHXFCSA-N 2 1 266.429 2.077 20 0 CEADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H]3CC(C)(C)CO3)C[C@]2(C)C1 ZINC000931318535 628519811 /nfs/dbraw/zinc/51/98/11/628519811.db2.gz UXPHAQAGLDFDCA-CWRNSKLLSA-N 2 1 266.429 2.075 20 0 CEADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H]3CC(C)(C)CO3)C[C@]2(C)C1 ZINC000931318535 628519814 /nfs/dbraw/zinc/51/98/14/628519814.db2.gz UXPHAQAGLDFDCA-CWRNSKLLSA-N 2 1 266.429 2.075 20 0 CEADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@]2(C)C1 ZINC000931318535 628519817 /nfs/dbraw/zinc/51/98/17/628519817.db2.gz UXPHAQAGLDFDCA-CWRNSKLLSA-N 2 1 266.429 2.075 20 0 CEADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@]2(C)C1 ZINC000931318535 628519820 /nfs/dbraw/zinc/51/98/20/628519820.db2.gz UXPHAQAGLDFDCA-CWRNSKLLSA-N 2 1 266.429 2.075 20 0 CEADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2NCCc3ccccc32)C1 ZINC000925699995 628536534 /nfs/dbraw/zinc/53/65/34/628536534.db2.gz MPHYNLPTEAZYIU-BFYDXBDKSA-N 2 1 287.451 2.369 20 0 CEADMP COCC1(CC[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925707723 628554277 /nfs/dbraw/zinc/55/42/77/628554277.db2.gz QXSFCFWDJQUSQK-ZFWWWQNUSA-N 2 1 262.397 2.481 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931438497 628580160 /nfs/dbraw/zinc/58/01/60/628580160.db2.gz KSZVVPBHBSWTSI-IJEWVQPXSA-N 2 1 294.826 2.257 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931438497 628580162 /nfs/dbraw/zinc/58/01/62/628580162.db2.gz KSZVVPBHBSWTSI-IJEWVQPXSA-N 2 1 294.826 2.257 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931438497 628580165 /nfs/dbraw/zinc/58/01/65/628580165.db2.gz KSZVVPBHBSWTSI-IJEWVQPXSA-N 2 1 294.826 2.257 20 0 CEADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000893439743 628611673 /nfs/dbraw/zinc/61/16/73/628611673.db2.gz ITKYIAKKHKUKMF-OAHLLOKOSA-N 2 1 296.455 2.239 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1OC ZINC000253179329 628635653 /nfs/dbraw/zinc/63/56/53/628635653.db2.gz CSUPFAOWDSJYAH-GXTWGEPZSA-N 2 1 278.396 2.121 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1OC ZINC000253179329 628635655 /nfs/dbraw/zinc/63/56/55/628635655.db2.gz CSUPFAOWDSJYAH-GXTWGEPZSA-N 2 1 278.396 2.121 20 0 CEADMP CCCn1cc[nH+]c1CCCN(C)c1cc[nH+]cc1CO ZINC000893487379 628649550 /nfs/dbraw/zinc/64/95/50/628649550.db2.gz IVTFXYFJOQBRNC-UHFFFAOYSA-N 2 1 288.395 2.249 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000902452090 634674495 /nfs/dbraw/zinc/67/44/95/634674495.db2.gz ZMXUPNUDXYFMFY-PVAVHDDUSA-N 2 1 287.451 2.237 20 0 CEADMP Cc1c[nH+]ccc1OC1CCN(c2cc[nH+]cc2CO)CC1 ZINC000893541008 628700395 /nfs/dbraw/zinc/70/03/95/628700395.db2.gz USONJTIWOPUBIK-UHFFFAOYSA-N 2 1 299.374 2.325 20 0 CEADMP Nc1cc[nH+]c(CN[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000925767897 628758823 /nfs/dbraw/zinc/75/88/23/628758823.db2.gz RAXILLMMZMBJBS-MRXNPFEDSA-N 2 1 270.380 2.234 20 0 CEADMP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)C2 ZINC000902464185 634683196 /nfs/dbraw/zinc/68/31/96/634683196.db2.gz AUGQNDGYUMFFMY-LUYZLQTOSA-N 2 1 272.392 2.035 20 0 CEADMP CC(C)CO[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925780949 628807947 /nfs/dbraw/zinc/80/79/47/628807947.db2.gz CEXUTCOAYHOIFG-SYQHCUMBSA-N 2 1 254.418 2.024 20 0 CEADMP FCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925789623 628831618 /nfs/dbraw/zinc/83/16/18/628831618.db2.gz ASFAWFASRDWVKK-ZNMIVQPWSA-N 2 1 284.419 2.263 20 0 CEADMP C[C@H](CCCC[NH3+])N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925827363 628917334 /nfs/dbraw/zinc/91/73/34/628917334.db2.gz OATNBIGCFICJLS-ZBFHGGJFSA-N 2 1 278.444 2.182 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925827363 628917336 /nfs/dbraw/zinc/91/73/36/628917336.db2.gz OATNBIGCFICJLS-ZBFHGGJFSA-N 3 1 278.444 2.182 20 0 CEADMP C(CC[NH2+][C@H]1CC[C@@H]1C1CCC1)CC[NH+]1CCNCC1 ZINC000925845719 628947833 /nfs/dbraw/zinc/94/78/33/628947833.db2.gz IAGHWPHCCAKZOT-SJORKVTESA-N 2 1 279.472 2.230 20 0 CEADMP FCC[C@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925846701 628949725 /nfs/dbraw/zinc/94/97/25/628949725.db2.gz OLTSZIMDDISEAA-CVEARBPZSA-N 2 1 285.451 2.180 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902486654 634702578 /nfs/dbraw/zinc/70/25/78/634702578.db2.gz RIOFZKQVBTXFQU-OWLYRPNTSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000902486654 634702583 /nfs/dbraw/zinc/70/25/83/634702583.db2.gz RIOFZKQVBTXFQU-OWLYRPNTSA-N 2 1 287.451 2.224 20 0 CEADMP Cc1nc(CC2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC000932241299 628988794 /nfs/dbraw/zinc/98/87/94/628988794.db2.gz BCIOPGPUVKGPQY-OAHLLOKOSA-N 2 1 292.427 2.117 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc[nH]2)C1 ZINC000894180859 629194870 /nfs/dbraw/zinc/19/48/70/629194870.db2.gz SFOYKBAGCLXBHK-CYBMUJFWSA-N 2 1 250.390 2.011 20 0 CEADMP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2c[nH]cn2)C1 ZINC000894180859 629194873 /nfs/dbraw/zinc/19/48/73/629194873.db2.gz SFOYKBAGCLXBHK-CYBMUJFWSA-N 2 1 250.390 2.011 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2c[nH]cn2)C1 ZINC000894180859 629194875 /nfs/dbraw/zinc/19/48/75/629194875.db2.gz SFOYKBAGCLXBHK-CYBMUJFWSA-N 2 1 250.390 2.011 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000924964240 629303074 /nfs/dbraw/zinc/30/30/74/629303074.db2.gz ABWJTQLCJJFYEB-ZSHCYNCHSA-N 2 1 267.461 2.038 20 0 CEADMP Cc1noc2ncc(C[NH2+][C@H]3CCC[C@@H]([NH+](C)C)C3)cc12 ZINC000894318097 629349168 /nfs/dbraw/zinc/34/91/68/629349168.db2.gz YMPYILDSAGTNFP-UONOGXRCSA-N 2 1 288.395 2.494 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261949696 629382732 /nfs/dbraw/zinc/38/27/32/629382732.db2.gz NSCRWJISEIJBTH-LLVKDONJSA-N 2 1 276.409 2.309 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261949696 629382737 /nfs/dbraw/zinc/38/27/37/629382737.db2.gz NSCRWJISEIJBTH-LLVKDONJSA-N 2 1 276.409 2.309 20 0 CEADMP Cc1cccn2c(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cnc12 ZINC000261980323 629409457 /nfs/dbraw/zinc/40/94/57/629409457.db2.gz JCKUSQGYJLRJKH-UHFFFAOYSA-N 2 1 284.407 2.218 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)nc1 ZINC000894479842 629485596 /nfs/dbraw/zinc/48/55/96/629485596.db2.gz SNRGKAYCYAZPKX-HNNXBMFYSA-N 2 1 289.423 2.254 20 0 CEADMP C[N@@H+]1C[C@H]2CN(Cc3ccccc3OCC(F)F)C[C@H]2C1 ZINC000894580053 629543872 /nfs/dbraw/zinc/54/38/72/629543872.db2.gz HQIDNEPBFNDAQA-OKILXGFUSA-N 2 1 296.361 2.324 20 0 CEADMP CO[C@]1(C(F)(F)F)CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000880306159 629670602 /nfs/dbraw/zinc/67/06/02/629670602.db2.gz MTMXXZONXPMBDK-VXGBXAGGSA-N 2 1 280.334 2.124 20 0 CEADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccnnc1 ZINC000925087621 629680146 /nfs/dbraw/zinc/68/01/46/629680146.db2.gz XNLAFIYRQGIIBC-TZMCWYRMSA-N 2 1 264.417 2.494 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cn3ccnc3s2)C1 ZINC000894860986 629698408 /nfs/dbraw/zinc/69/84/08/629698408.db2.gz MNRDBRUCKUQVCW-LBPRGKRZSA-N 2 1 278.425 2.217 20 0 CEADMP [NH3+][C@@H](C[NH2+]CCc1cccc(Cl)c1)CC(F)F ZINC000903920034 635348361 /nfs/dbraw/zinc/34/83/61/635348361.db2.gz GUCYCJBDFPCNKX-LLVKDONJSA-N 2 1 262.731 2.455 20 0 CEADMP CCCn1nc(C)c(C[NH2+]CC[C@@H](C)[NH+](C)C)c1C ZINC000895298120 630085992 /nfs/dbraw/zinc/08/59/92/630085992.db2.gz QQZWLLGHBNZYPE-GFCCVEGCSA-N 2 1 266.433 2.340 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnn2c1CCC2 ZINC000895381626 630152670 /nfs/dbraw/zinc/15/26/70/630152670.db2.gz VCIZCNHSVPZRKJ-GOEBONIOSA-N 2 1 290.455 2.382 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnn2c1CCC2 ZINC000895381626 630152673 /nfs/dbraw/zinc/15/26/73/630152673.db2.gz VCIZCNHSVPZRKJ-GOEBONIOSA-N 2 1 290.455 2.382 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000895381529 630153001 /nfs/dbraw/zinc/15/30/01/630153001.db2.gz UFSKHXVZZPOTKR-ZFWWWQNUSA-N 2 1 277.412 2.339 20 0 CEADMP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000895447160 630195336 /nfs/dbraw/zinc/19/53/36/630195336.db2.gz UTYSILFUACRWPB-CQSZACIVSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000895447160 630195341 /nfs/dbraw/zinc/19/53/41/630195341.db2.gz UTYSILFUACRWPB-CQSZACIVSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@](C)(C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)OC ZINC000895558587 630249779 /nfs/dbraw/zinc/24/97/79/630249779.db2.gz YIYFUNZFENHYML-ZBFHGGJFSA-N 2 1 277.412 2.407 20 0 CEADMP CC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000895670418 630299609 /nfs/dbraw/zinc/29/96/09/630299609.db2.gz HHJOZFXDBOCERT-AWEZNQCLSA-N 2 1 250.386 2.239 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCC[C@@H](C)C1 ZINC000895729646 630319324 /nfs/dbraw/zinc/31/93/24/630319324.db2.gz KEUPCLDPDJIYOL-KFWWJZLASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCC[C@@H](C)C1 ZINC000895729646 630319327 /nfs/dbraw/zinc/31/93/27/630319327.db2.gz KEUPCLDPDJIYOL-KFWWJZLASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000895729646 630319330 /nfs/dbraw/zinc/31/93/30/630319330.db2.gz KEUPCLDPDJIYOL-KFWWJZLASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000895729646 630319336 /nfs/dbraw/zinc/31/93/36/630319336.db2.gz KEUPCLDPDJIYOL-KFWWJZLASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000895937378 630411962 /nfs/dbraw/zinc/41/19/62/630411962.db2.gz PYUNAYIUAVRAIC-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000895937378 630411964 /nfs/dbraw/zinc/41/19/64/630411964.db2.gz PYUNAYIUAVRAIC-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)C[C@H]1CC[NH3+] ZINC000903976855 635395154 /nfs/dbraw/zinc/39/51/54/635395154.db2.gz DWSKMRIXCTWPCP-TZMCWYRMSA-N 2 1 259.397 2.071 20 0 CEADMP CCO[C@@H](C[NH2+]CCc1cccc(Cl)c1)C[NH+](C)C ZINC000896879467 630699063 /nfs/dbraw/zinc/69/90/63/630699063.db2.gz BCAYHSQKPOCTPW-HNNXBMFYSA-N 2 1 284.831 2.439 20 0 CEADMP COC1CCC([N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904321651 635568227 /nfs/dbraw/zinc/56/82/27/635568227.db2.gz AXQPBGTUVVUPSD-NRXISQOPSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CCO)Cc2ccccc2)[C@H](C)C1 ZINC000799730549 631072539 /nfs/dbraw/zinc/07/25/39/631072539.db2.gz HSRQVMOGUKLOHB-NJAFHUGGSA-N 2 1 290.451 2.300 20 0 CEADMP C[C@@H](CCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCCCC1 ZINC000897376571 631252790 /nfs/dbraw/zinc/25/27/90/631252790.db2.gz ZLKXUBKACRCLPY-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)[C@H](C)C1 ZINC000897507885 631596987 /nfs/dbraw/zinc/59/69/87/631596987.db2.gz GOLDVERVPOBJFG-OEAJRASXSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CCC3(CC2)OCCO3)CC[N@H+]1C ZINC000897716131 631889382 /nfs/dbraw/zinc/88/93/82/631889382.db2.gz XGZOGVPYTITHML-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP c1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc2nonc12 ZINC000897990578 632007642 /nfs/dbraw/zinc/00/76/42/632007642.db2.gz ABGCIECSVYIJMG-UHFFFAOYSA-N 2 1 286.379 2.187 20 0 CEADMP C1CCC2(C1)OCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000898110224 632054447 /nfs/dbraw/zinc/05/44/47/632054447.db2.gz DEXJHCGOWPYFNP-KFWWJZLASA-N 2 1 264.413 2.305 20 0 CEADMP Cc1ncc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000809738841 632135290 /nfs/dbraw/zinc/13/52/90/632135290.db2.gz MGXZEVZTKQXONR-UHFFFAOYSA-N 2 1 284.407 2.479 20 0 CEADMP Cc1ncc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000809738841 632135296 /nfs/dbraw/zinc/13/52/96/632135296.db2.gz MGXZEVZTKQXONR-UHFFFAOYSA-N 2 1 284.407 2.479 20 0 CEADMP Cc1nc(C)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000809953858 632160815 /nfs/dbraw/zinc/16/08/15/632160815.db2.gz SDQWHFGXJJMUIY-UHFFFAOYSA-N 2 1 272.352 2.009 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000898316428 632169899 /nfs/dbraw/zinc/16/98/99/632169899.db2.gz SCRXJASFXNLERZ-JYJNAYRXSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000898316428 632169903 /nfs/dbraw/zinc/16/99/03/632169903.db2.gz SCRXJASFXNLERZ-JYJNAYRXSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000898316428 632169907 /nfs/dbraw/zinc/16/99/07/632169907.db2.gz SCRXJASFXNLERZ-JYJNAYRXSA-N 2 1 267.461 2.179 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)C[NH+](C)C ZINC000926957343 632383852 /nfs/dbraw/zinc/38/38/52/632383852.db2.gz AAWRDCCKIGSMSZ-QLFBSQMISA-N 2 1 254.418 2.121 20 0 CEADMP CC[NH+](CC)CCOC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000811443509 632384608 /nfs/dbraw/zinc/38/46/08/632384608.db2.gz MHFWCUASZKPCBF-OAHLLOKOSA-N 2 1 288.407 2.084 20 0 CEADMP COCC[N@@H+](C)CCCN[C@@H](C)c1cnn(C2CCC2)c1 ZINC000924653320 632395707 /nfs/dbraw/zinc/39/57/07/632395707.db2.gz IXBAQFGSMMLMCC-AWEZNQCLSA-N 2 1 294.443 2.227 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000924653320 632395712 /nfs/dbraw/zinc/39/57/12/632395712.db2.gz IXBAQFGSMMLMCC-AWEZNQCLSA-N 2 1 294.443 2.227 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cc(CO)on1 ZINC000924688208 632420250 /nfs/dbraw/zinc/42/02/50/632420250.db2.gz RQGHYBRKPLDHEH-KBPBESRZSA-N 2 1 295.427 2.330 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237497301 632424112 /nfs/dbraw/zinc/42/41/12/632424112.db2.gz ZEBGIMGNJSLKAE-ARFHVFGLSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@H](NC(=[NH2+])NC[C@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000899264086 632761683 /nfs/dbraw/zinc/76/16/83/632761683.db2.gz YVVDXSHGCGZNQG-BBRMVZONSA-N 2 1 288.439 2.072 20 0 CEADMP OCc1ccccc1CN[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924761406 632930721 /nfs/dbraw/zinc/93/07/21/632930721.db2.gz PVOIMKXZPGZKGH-SJORKVTESA-N 2 1 274.408 2.285 20 0 CEADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000815564034 633031092 /nfs/dbraw/zinc/03/10/92/633031092.db2.gz VGSFFMNSZNIIFM-UKRRQHHQSA-N 2 1 280.387 2.241 20 0 CEADMP N[C@H]1CCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900375 633760673 /nfs/dbraw/zinc/76/06/73/633760673.db2.gz MOFBXROFPHQLMC-SSHXOBKSSA-N 2 1 265.445 2.253 20 0 CEADMP C[C@H]([NH2+]CCc1ccc(Cl)nc1)[C@@H]1CCC[NH2+]1 ZINC000817902462 633763747 /nfs/dbraw/zinc/76/37/47/633763747.db2.gz QZARLOFPHDQIIX-JQWIXIFHSA-N 2 1 253.777 2.008 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1c[nH+]ccc1N ZINC000817902537 633763882 /nfs/dbraw/zinc/76/38/82/633763882.db2.gz STFZKCVJBJDXIK-SNVBAGLBSA-N 2 1 276.771 2.436 20 0 CEADMP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000817904647 633765250 /nfs/dbraw/zinc/76/52/50/633765250.db2.gz FSMQSBNLNHIGML-AVRGHOLYSA-N 2 1 280.387 2.368 20 0 CEADMP Cc1cccc(OCCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000817906751 633766398 /nfs/dbraw/zinc/76/63/98/633766398.db2.gz FEWMTGYWAKAWLD-GOEBONIOSA-N 2 1 262.397 2.352 20 0 CEADMP C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1c[nH+]ccc1N ZINC000817913344 633771932 /nfs/dbraw/zinc/77/19/32/633771932.db2.gz NXTYDDLNQUVINJ-MLGOLLRUSA-N 2 1 271.364 2.052 20 0 CEADMP C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817924062 633780624 /nfs/dbraw/zinc/78/06/24/633780624.db2.gz LVGLAYOXFPLFJB-KBMXLJTQSA-N 2 1 262.397 2.014 20 0 CEADMP C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000817924351 633780647 /nfs/dbraw/zinc/78/06/47/633780647.db2.gz QPEVUEAVODRCOO-USXIJHARSA-N 2 1 276.424 2.404 20 0 CEADMP C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000817924058 633780679 /nfs/dbraw/zinc/78/06/79/633780679.db2.gz LVGLAYOXFPLFJB-FVQBIDKESA-N 2 1 262.397 2.014 20 0 CEADMP COCc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)ccc1OC ZINC000817959769 633800626 /nfs/dbraw/zinc/80/06/26/633800626.db2.gz IUGHMJXHFAYWDP-XHDPSFHLSA-N 2 1 278.396 2.230 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(N2CCOC2=O)cc1 ZINC000817960802 633803262 /nfs/dbraw/zinc/80/32/62/633803262.db2.gz QNQVFWSWSXUTHW-LLVKDONJSA-N 2 1 277.368 2.031 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)nc1 ZINC000817971439 633815344 /nfs/dbraw/zinc/81/53/44/633815344.db2.gz NBPIKPNDJIUFMH-JBLDHEPKSA-N 2 1 253.777 2.384 20 0 CEADMP COCc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])ccc1OC ZINC000817977746 633822024 /nfs/dbraw/zinc/82/20/24/633822024.db2.gz OAOYTQBJKRMMST-TUAOUCFPSA-N 2 1 266.385 2.228 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccccc2C)C1 ZINC000818981653 634028080 /nfs/dbraw/zinc/02/80/80/634028080.db2.gz WMPZPQBPXZPSPE-WBVHZDCISA-N 2 1 276.424 2.350 20 0 CEADMP CC(C)CC[C@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000819058944 634054824 /nfs/dbraw/zinc/05/48/24/634054824.db2.gz AFCZDGVEISPTTL-IRXDYDNUSA-N 2 1 298.471 2.017 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000819101946 634068594 /nfs/dbraw/zinc/06/85/94/634068594.db2.gz BMDJAZAUTGGMME-JGGQBBKZSA-N 2 1 280.387 2.240 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000819101945 634069053 /nfs/dbraw/zinc/06/90/53/634069053.db2.gz BMDJAZAUTGGMME-IVMMDQJWSA-N 2 1 280.387 2.240 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2F)C1 ZINC000819133606 634078393 /nfs/dbraw/zinc/07/83/93/634078393.db2.gz TZVBHAHSOFGBFA-YWPYICTPSA-N 2 1 298.377 2.461 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)C1=CC[N@@H+](C)CC1 ZINC000819219726 634107892 /nfs/dbraw/zinc/10/78/92/634107892.db2.gz GMMCPNWGYBHBQH-ABAIWWIYSA-N 2 1 296.361 2.238 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)C1=CC[N@@H+](C)CC1 ZINC000819220916 634107913 /nfs/dbraw/zinc/10/79/13/634107913.db2.gz TYTIDDCAFKGAQH-BDJLRTHQSA-N 2 1 296.361 2.238 20 0 CEADMP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1F ZINC000819355321 634151902 /nfs/dbraw/zinc/15/19/02/634151902.db2.gz QXSVSWAGECKEEF-KRWDZBQOSA-N 2 1 292.398 2.466 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)c1c(F)cccc1F)C1CC1 ZINC000819361903 634155044 /nfs/dbraw/zinc/15/50/44/634155044.db2.gz LNOMSDGEIPHYIH-OAHLLOKOSA-N 2 1 298.377 2.462 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1COc2ccccc2C1 ZINC000902958883 634913754 /nfs/dbraw/zinc/91/37/54/634913754.db2.gz WJGWWMFTFZJNTI-DZGCQCFKSA-N 2 1 285.391 2.192 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000903018025 634927144 /nfs/dbraw/zinc/92/71/44/634927144.db2.gz VUGRGJWHLOFRDS-OVYBAWALSA-N 2 1 278.440 2.121 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C1CC1 ZINC000903017915 634927183 /nfs/dbraw/zinc/92/71/83/634927183.db2.gz ZSLDPDIQHZOZQF-FIDHJVLJSA-N 2 1 278.440 2.264 20 0 CEADMP CC(=O)OCc1cccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000903059416 634950015 /nfs/dbraw/zinc/95/00/15/634950015.db2.gz NOXZCHBQERFWAZ-CYBMUJFWSA-N 2 1 290.407 2.495 20 0 CEADMP C[N@@H+](CCC[NH2+][C@@H]1CCO[C@]12CCOC2)C1CCCCC1 ZINC000903062918 634951668 /nfs/dbraw/zinc/95/16/68/634951668.db2.gz ZAKDFUWCJJQWFR-SJORKVTESA-N 2 1 296.455 2.179 20 0 CEADMP CC[C@H](C)NC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903080662 634960274 /nfs/dbraw/zinc/96/02/74/634960274.db2.gz RRERUDHTRVBBFN-WYQXTGKHSA-N 2 1 293.455 2.039 20 0 CEADMP C[C@@H](CC[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903084641 634961963 /nfs/dbraw/zinc/96/19/63/634961963.db2.gz ZSQFOLVXCXZUNZ-WYQXTGKHSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903084641 634961965 /nfs/dbraw/zinc/96/19/65/634961965.db2.gz ZSQFOLVXCXZUNZ-WYQXTGKHSA-N 3 1 265.445 2.074 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903084641 634961967 /nfs/dbraw/zinc/96/19/67/634961967.db2.gz ZSQFOLVXCXZUNZ-WYQXTGKHSA-N 3 1 265.445 2.074 20 0 CEADMP OC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCCC1 ZINC000903088291 634963243 /nfs/dbraw/zinc/96/32/43/634963243.db2.gz YZHFYJLSZQCNDQ-VHRNVKJDSA-N 2 1 278.440 2.429 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[NH+]3CCC[C@H]3C1)C2 ZINC000903071466 634967147 /nfs/dbraw/zinc/96/71/47/634967147.db2.gz BTXGCACKAYTNFN-ZZWQRTMASA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000903071466 634967149 /nfs/dbraw/zinc/96/71/49/634967149.db2.gz BTXGCACKAYTNFN-ZZWQRTMASA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000903071466 634967154 /nfs/dbraw/zinc/96/71/54/634967154.db2.gz BTXGCACKAYTNFN-ZZWQRTMASA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[NH+]3CCC[C@H]3C1)C2 ZINC000903071466 634967156 /nfs/dbraw/zinc/96/71/56/634967156.db2.gz BTXGCACKAYTNFN-ZZWQRTMASA-N 3 1 289.467 2.361 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[NH+]3CCC[C@H]3C1)C2 ZINC000903071466 634967160 /nfs/dbraw/zinc/96/71/60/634967160.db2.gz BTXGCACKAYTNFN-ZZWQRTMASA-N 3 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000903071466 634967165 /nfs/dbraw/zinc/96/71/65/634967165.db2.gz BTXGCACKAYTNFN-ZZWQRTMASA-N 3 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000903071466 634967168 /nfs/dbraw/zinc/96/71/68/634967168.db2.gz BTXGCACKAYTNFN-ZZWQRTMASA-N 3 1 289.467 2.361 20 0 CEADMP CCC[N@@H+](CC)CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903105776 634972750 /nfs/dbraw/zinc/97/27/50/634972750.db2.gz ULXPVMHZIQJFEI-ZXFUBFMLSA-N 2 1 279.472 2.466 20 0 CEADMP CCC[NH+](CC)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903105776 634972751 /nfs/dbraw/zinc/97/27/51/634972751.db2.gz ULXPVMHZIQJFEI-ZXFUBFMLSA-N 2 1 279.472 2.466 20 0 CEADMP CCC[NH+](CC)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903105776 634972754 /nfs/dbraw/zinc/97/27/54/634972754.db2.gz ULXPVMHZIQJFEI-ZXFUBFMLSA-N 2 1 279.472 2.466 20 0 CEADMP CO[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903158111 634993230 /nfs/dbraw/zinc/99/32/30/634993230.db2.gz RDHSZQBREAONOZ-RLIJAYAKSA-N 2 1 252.402 2.157 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCSC1 ZINC000903159868 634994024 /nfs/dbraw/zinc/99/40/24/634994024.db2.gz RNHXJZYKUYHEHD-YPRXJGMQSA-N 2 1 266.454 2.487 20 0 CEADMP C[C@@H]1CSC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903170103 635003759 /nfs/dbraw/zinc/00/37/59/635003759.db2.gz FTGDBGMMAIVRNC-INZXHGTPSA-N 2 1 266.454 2.485 20 0 CEADMP CC[C@@H](C[C@@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903214789 635019189 /nfs/dbraw/zinc/01/91/89/635019189.db2.gz XRAHNLALJJKQDI-WYIYSYCWSA-N 2 1 266.429 2.283 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CO)CCc2ccccc2)[C@@H](C)C1 ZINC000903290469 635054168 /nfs/dbraw/zinc/05/41/68/635054168.db2.gz WTECYHNJZWQXLW-JQHSSLGASA-N 2 1 290.451 2.300 20 0 CEADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000903308832 635059744 /nfs/dbraw/zinc/05/97/44/635059744.db2.gz LKBOFYVUOZCFRM-ZACQAIPSSA-N 2 1 292.398 2.250 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000903354717 635083583 /nfs/dbraw/zinc/08/35/83/635083583.db2.gz XIHYXBXDRQQGJT-MGPQQGTHSA-N 2 1 284.444 2.427 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903378493 635092510 /nfs/dbraw/zinc/09/25/10/635092510.db2.gz CWPOYSCGCHBKNU-BMFZPTHFSA-N 2 1 277.412 2.089 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](CCO)[C@H]2CCc3ccccc32)C1 ZINC000903438504 635117801 /nfs/dbraw/zinc/11/78/01/635117801.db2.gz WUXFXRDWMVJMJA-LXZKKBNFSA-N 2 1 274.408 2.096 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000903444000 635129604 /nfs/dbraw/zinc/12/96/04/635129604.db2.gz MHVKBNVVFMJSOS-RYRKJORJSA-N 2 1 287.451 2.443 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471891 635142400 /nfs/dbraw/zinc/14/24/00/635142400.db2.gz VYGAEJYTATXVOS-MRXNPFEDSA-N 2 1 284.407 2.219 20 0 CEADMP CC(C)C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC1CC[NH+](C)CC1 ZINC000903476171 635145067 /nfs/dbraw/zinc/14/50/67/635145067.db2.gz PBSFRGNIQJEBQM-SJORKVTESA-N 3 1 281.488 2.414 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903476733 635146331 /nfs/dbraw/zinc/14/63/31/635146331.db2.gz HPJACNSEXONQNY-RVMXOQNASA-N 2 1 258.356 2.481 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@H]1CC2(CCC2)CO1 ZINC000903481521 635148697 /nfs/dbraw/zinc/14/86/97/635148697.db2.gz FAXYKTMEZVYBEE-KGLIPLIRSA-N 2 1 264.413 2.210 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CCCC1 ZINC000903481722 635150037 /nfs/dbraw/zinc/15/00/37/635150037.db2.gz KUDFROQDUJWMAC-HUUCEWRRSA-N 2 1 266.429 2.456 20 0 CEADMP [NH3+]CCCCCCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903484679 635152062 /nfs/dbraw/zinc/15/20/62/635152062.db2.gz VCNMJTNXZDGZBR-CQSZACIVSA-N 2 1 253.434 2.160 20 0 CEADMP CC(C)CCc1noc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903496934 635157030 /nfs/dbraw/zinc/15/70/30/635157030.db2.gz KSBUAGYXXXDXMF-CHWSQXEVSA-N 2 1 280.416 2.075 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(F)cc2)C[C@H]1CC[NH3+] ZINC000903497456 635157224 /nfs/dbraw/zinc/15/72/24/635157224.db2.gz XSVICRVPCBICGV-CHWSQXEVSA-N 2 1 293.386 2.071 20 0 CEADMP CC(C)[N@@H+](CC1CC1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903721917 635235168 /nfs/dbraw/zinc/23/51/68/635235168.db2.gz GDPCTBPBCPHOJM-OAHLLOKOSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1Cc2ccccc2C1 ZINC000903722304 635236297 /nfs/dbraw/zinc/23/62/97/635236297.db2.gz KIRDVUUHWCVJEP-CQSZACIVSA-N 2 1 258.409 2.475 20 0 CEADMP C[N@H+](Cc1ccc(F)c(F)c1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722987 635236570 /nfs/dbraw/zinc/23/65/70/635236570.db2.gz FPPVLSXETTXKAY-BBRMVZONSA-N 2 1 296.361 2.165 20 0 CEADMP CC(C)CC[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724956 635238096 /nfs/dbraw/zinc/23/80/96/635238096.db2.gz TTXCSPIKFKJLDY-AWEZNQCLSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCS1 ZINC000903733427 635239575 /nfs/dbraw/zinc/23/95/75/635239575.db2.gz KAXIROVPPGHBEI-CABCVRRESA-N 2 1 298.496 2.219 20 0 CEADMP CC(C)[C@H]1CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903731839 635242477 /nfs/dbraw/zinc/24/24/77/635242477.db2.gz AINKYSBUEGECHR-LSDHHAIUSA-N 2 1 266.429 2.123 20 0 CEADMP CC[C@@]1(C)CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903734489 635250912 /nfs/dbraw/zinc/25/09/12/635250912.db2.gz RNMUQJNEZKMKHJ-GJZGRUSLSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCOC2CCSCC2)C[C@H]1C[NH3+] ZINC000903761342 635256042 /nfs/dbraw/zinc/25/60/42/635256042.db2.gz QFTBMQOHKVXFDU-HZSPNIEDSA-N 2 1 286.485 2.204 20 0 CEADMP FCC[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903765847 635258182 /nfs/dbraw/zinc/25/81/82/635258182.db2.gz LDCRCOACTSQFMP-CABCVRRESA-N 2 1 284.419 2.217 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCN1CC(F)F ZINC000903756313 635261177 /nfs/dbraw/zinc/26/11/77/635261177.db2.gz PYONLOHDCJJZRN-ZIAGYGMSSA-N 2 1 289.414 2.037 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCN1CC(F)F ZINC000903756313 635261180 /nfs/dbraw/zinc/26/11/80/635261180.db2.gz PYONLOHDCJJZRN-ZIAGYGMSSA-N 2 1 289.414 2.037 20 0 CEADMP Cc1cnc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)nc1 ZINC000903790848 635262584 /nfs/dbraw/zinc/26/25/84/635262584.db2.gz DGZBPCJIJRIEGU-UHFFFAOYSA-N 2 1 296.418 2.278 20 0 CEADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903774900 635264535 /nfs/dbraw/zinc/26/45/35/635264535.db2.gz BHQFWSDOIAYZSW-AYXMCGBSSA-N 2 1 278.440 2.433 20 0 CEADMP C(C[N@@H+]1CC[NH2+]CCC12CCC2)OC1CCSCC1 ZINC000903782908 635269140 /nfs/dbraw/zinc/26/91/40/635269140.db2.gz UDIKKHJXUIJJQQ-UHFFFAOYSA-N 2 1 284.469 2.117 20 0 CEADMP C(C[N@H+]1CC[NH2+]CCC12CCC2)OC1CCSCC1 ZINC000903782908 635269146 /nfs/dbraw/zinc/26/91/46/635269146.db2.gz UDIKKHJXUIJJQQ-UHFFFAOYSA-N 2 1 284.469 2.117 20 0 CEADMP NC[C@@]12CC[C@@H]1CCC[N@@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000903798732 635275871 /nfs/dbraw/zinc/27/58/71/635275871.db2.gz AIIDXGHEOWUXTF-WMZOPIPTSA-N 3 1 285.435 2.036 20 0 CEADMP NC[C@@]12CC[C@@H]1CCC[N@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000903798732 635275874 /nfs/dbraw/zinc/27/58/74/635275874.db2.gz AIIDXGHEOWUXTF-WMZOPIPTSA-N 3 1 285.435 2.036 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000903798732 635275878 /nfs/dbraw/zinc/27/58/78/635275878.db2.gz AIIDXGHEOWUXTF-WMZOPIPTSA-N 3 1 285.435 2.036 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000903798732 635275883 /nfs/dbraw/zinc/27/58/83/635275883.db2.gz AIIDXGHEOWUXTF-WMZOPIPTSA-N 3 1 285.435 2.036 20 0 CEADMP Cn1c2ccccc2nc1CC[N@@H+]1CCC[C@H]2CC[C@@]21CN ZINC000903798606 635276298 /nfs/dbraw/zinc/27/62/98/635276298.db2.gz OCONAAOOHCPGBR-KBXCAEBGSA-N 2 1 298.434 2.319 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@H]2CC[C@@]21CN ZINC000903798606 635276303 /nfs/dbraw/zinc/27/63/03/635276303.db2.gz OCONAAOOHCPGBR-KBXCAEBGSA-N 2 1 298.434 2.319 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@H]1CC2(CCC2)CO1 ZINC000903801093 635278332 /nfs/dbraw/zinc/27/83/32/635278332.db2.gz KWBNUBXQXCFAKN-SQWLQELKSA-N 2 1 264.413 2.149 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@H]1CC2(CCC2)CO1 ZINC000903801093 635278335 /nfs/dbraw/zinc/27/83/35/635278335.db2.gz KWBNUBXQXCFAKN-SQWLQELKSA-N 2 1 264.413 2.149 20 0 CEADMP CCO[C@H](C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000903803635 635279560 /nfs/dbraw/zinc/27/95/60/635279560.db2.gz ZHICPTNFYUMPKQ-RBSFLKMASA-N 2 1 252.402 2.005 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000903803635 635279565 /nfs/dbraw/zinc/27/95/65/635279565.db2.gz ZHICPTNFYUMPKQ-RBSFLKMASA-N 2 1 252.402 2.005 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2cnn(CCF)c2)CCC1 ZINC000903811819 635286149 /nfs/dbraw/zinc/28/61/49/635286149.db2.gz NUIHQZDJMYWKLV-OAHLLOKOSA-N 2 1 294.418 2.336 20 0 CEADMP Cc1cnccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000823850419 635290938 /nfs/dbraw/zinc/29/09/38/635290938.db2.gz CBNMTCZRVXDOFZ-QGZVFWFLSA-N 2 1 289.423 2.123 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC000903823932 635292191 /nfs/dbraw/zinc/29/21/91/635292191.db2.gz LNKJNFROHDZXCL-AEFFLSMTSA-N 2 1 290.451 2.473 20 0 CEADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)nc1 ZINC000903831299 635295422 /nfs/dbraw/zinc/29/54/22/635295422.db2.gz HJZIEHNLVGSRPZ-DVOMOZLQSA-N 2 1 275.396 2.355 20 0 CEADMP C[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCN1c1ccccc1 ZINC000903831317 635295601 /nfs/dbraw/zinc/29/56/01/635295601.db2.gz HVNCHICEOUQJGC-JKSUJKDBSA-N 2 1 273.424 2.197 20 0 CEADMP c1csc(C[C@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903831343 635295684 /nfs/dbraw/zinc/29/56/84/635295684.db2.gz IMRXXQURDPAJER-ZIAGYGMSSA-N 2 1 279.453 2.397 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(F)c1F)C2 ZINC000903845871 635303110 /nfs/dbraw/zinc/30/31/10/635303110.db2.gz AZIJWRRLVGPGEK-DLOVCJGASA-N 2 1 252.308 2.276 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(F)c1F)C2 ZINC000903845871 635303115 /nfs/dbraw/zinc/30/31/15/635303115.db2.gz AZIJWRRLVGPGEK-DLOVCJGASA-N 2 1 252.308 2.276 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2Cc1ccc(-n2cccn2)cc1 ZINC000903857977 635308551 /nfs/dbraw/zinc/30/85/51/635308551.db2.gz WZBQOVPLPBYULP-RDJZCZTQSA-N 2 1 282.391 2.186 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2Cc1ccc(-n2cccn2)cc1 ZINC000903857977 635308554 /nfs/dbraw/zinc/30/85/54/635308554.db2.gz WZBQOVPLPBYULP-RDJZCZTQSA-N 2 1 282.391 2.186 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C2CC2)C2CCCC2)cnn1C ZINC000903880084 635325110 /nfs/dbraw/zinc/32/51/10/635325110.db2.gz OAHGCRAEVBNRMU-AWEZNQCLSA-N 2 1 290.455 2.253 20 0 CEADMP CCOC(=O)C[N@@H+](CC(C)C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903887092 635328996 /nfs/dbraw/zinc/32/89/96/635328996.db2.gz YPYKBPOSBZVJEU-GOOCMWNKSA-N 2 1 282.428 2.038 20 0 CEADMP CC(C)[C@@H]1CN(C)CC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903901976 635338316 /nfs/dbraw/zinc/33/83/16/635338316.db2.gz CDYZKPDEGRIPMW-SFHVURJKSA-N 2 1 287.451 2.104 20 0 CEADMP CC(C)[C@@H]1C[N@H+](C)CCN1Cc1cccc2c1CC[NH2+]C2 ZINC000903901976 635338317 /nfs/dbraw/zinc/33/83/17/635338317.db2.gz CDYZKPDEGRIPMW-SFHVURJKSA-N 2 1 287.451 2.104 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1cccc2c1CC[NH2+]C2 ZINC000903901976 635338319 /nfs/dbraw/zinc/33/83/19/635338319.db2.gz CDYZKPDEGRIPMW-SFHVURJKSA-N 2 1 287.451 2.104 20 0 CEADMP C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903909247 635342685 /nfs/dbraw/zinc/34/26/85/635342685.db2.gz SCJZVYMKFXIGID-WMLDXEAASA-N 2 1 288.435 2.458 20 0 CEADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C2CC2)O1 ZINC000903909567 635344565 /nfs/dbraw/zinc/34/45/65/635344565.db2.gz FQTMPQXCKASKSO-XZMUVTDLSA-N 2 1 264.413 2.016 20 0 CEADMP [NH3+][C@H](C[NH2+]CCOc1cccc(Cl)c1)CC(F)F ZINC000903922626 635350475 /nfs/dbraw/zinc/35/04/75/635350475.db2.gz AWOFRKXWFYERQS-JTQLQIEISA-N 2 1 278.730 2.291 20 0 CEADMP [NH3+][C@@H](C[NH2+]CC[C@H]1CCc2ccccc2N1)CC(F)F ZINC000903933074 635357964 /nfs/dbraw/zinc/35/79/64/635357964.db2.gz YGSIMMNCXXKSKX-CHWSQXEVSA-N 2 1 283.366 2.376 20 0 CEADMP Oc1ccc2c(c1)C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CCO2 ZINC000903933102 635358413 /nfs/dbraw/zinc/35/84/13/635358413.db2.gz LDFJCZVVYAXYST-LQDVMPOASA-N 2 1 288.391 2.117 20 0 CEADMP [NH3+]Cc1ccc(CNCc2cccc3c2CC[NH2+]C3)c(F)c1 ZINC000903932249 635358476 /nfs/dbraw/zinc/35/84/76/635358476.db2.gz PPEVJLVCGBKRRY-UHFFFAOYSA-N 2 1 299.393 2.220 20 0 CEADMP Cc1nn(C)c2nc(Cl)c(C[NH2+]CCC(C)(C)[NH3+])cc12 ZINC000903938445 635363194 /nfs/dbraw/zinc/36/31/94/635363194.db2.gz BBAAIOMWMHRLTE-UHFFFAOYSA-N 2 1 295.818 2.147 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)[C@H]2CCC(C)(C)C2)cnn1C ZINC000903917925 635366560 /nfs/dbraw/zinc/36/65/60/635366560.db2.gz OTLQMUYZPRIFAA-HOCLYGCPSA-N 2 1 292.471 2.356 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2cn(C(C)C)nc2C)CC1 ZINC000903946659 635379436 /nfs/dbraw/zinc/37/94/36/635379436.db2.gz YUNUEFOCEGSWDU-UHFFFAOYSA-N 2 1 264.417 2.476 20 0 CEADMP CCOc1cccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903953185 635386721 /nfs/dbraw/zinc/38/67/21/635386721.db2.gz BUZGYQPXRHXOOA-CYBMUJFWSA-N 2 1 284.350 2.420 20 0 CEADMP CCC[C@@H](CC)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972413 635391253 /nfs/dbraw/zinc/39/12/53/635391253.db2.gz HZBPYJKONVLGEB-ZIAGYGMSSA-N 2 1 254.418 2.313 20 0 CEADMP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1F ZINC000903963928 635397966 /nfs/dbraw/zinc/39/79/66/635397966.db2.gz JVEYJTBAHDTNNA-LALPHHSUSA-N 2 1 280.387 2.210 20 0 CEADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963585 635397990 /nfs/dbraw/zinc/39/79/90/635397990.db2.gz BLLPIIDCWWAZCG-VHDGCEQUSA-N 2 1 292.423 2.222 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000904315899 635552403 /nfs/dbraw/zinc/55/24/03/635552403.db2.gz IGQOWIGEGOGFSF-NVBFEUDRSA-N 2 1 282.334 2.075 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000904315899 635552405 /nfs/dbraw/zinc/55/24/05/635552405.db2.gz IGQOWIGEGOGFSF-NVBFEUDRSA-N 2 1 282.334 2.075 20 0 CEADMP COc1ccccc1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000904307039 635557396 /nfs/dbraw/zinc/55/73/96/635557396.db2.gz JBGMSGORUWEFBY-XBXGTLAGSA-N 2 1 260.381 2.397 20 0 CEADMP CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328357 635573430 /nfs/dbraw/zinc/57/34/30/635573430.db2.gz OCMQJJKQCRGYBG-CRWXNKLISA-N 2 1 254.418 2.249 20 0 CEADMP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904347523 635582807 /nfs/dbraw/zinc/58/28/07/635582807.db2.gz IDHFYEUUZMAKAJ-ZNSHCXBVSA-N 2 1 250.308 2.387 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1C ZINC000904355411 635586840 /nfs/dbraw/zinc/58/68/40/635586840.db2.gz NIZWRRSFITYBEU-OCCSQVGLSA-N 2 1 276.380 2.012 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@@]1(C)CCC[NH2+]C1)CCOCC2 ZINC000904374535 635595548 /nfs/dbraw/zinc/59/55/48/635595548.db2.gz SYNXSWBTCYWHAZ-CABCVRRESA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000904378438 635603358 /nfs/dbraw/zinc/60/33/58/635603358.db2.gz CQEKONAPBHLCHN-YDHLFZDLSA-N 2 1 254.418 2.108 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000904378438 635603361 /nfs/dbraw/zinc/60/33/61/635603361.db2.gz CQEKONAPBHLCHN-YDHLFZDLSA-N 2 1 254.418 2.108 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](N)CCC(C)(C)C)C1CC[NH2+]CC1 ZINC000904383963 635606124 /nfs/dbraw/zinc/60/61/24/635606124.db2.gz FHEYYVUELKKFPE-OCCSQVGLSA-N 2 1 255.450 2.118 20 0 CEADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]([NH3+])C2)C1)C1CCCC1 ZINC000904384690 635606971 /nfs/dbraw/zinc/60/69/71/635606971.db2.gz MCUUTIWAZSTQIH-JHNDHUHGSA-N 3 1 279.472 2.343 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000904405630 635612626 /nfs/dbraw/zinc/61/26/26/635612626.db2.gz LQXYYAPHWAFDRP-LLVKDONJSA-N 2 1 278.787 2.158 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(F)c1 ZINC000904410225 635616635 /nfs/dbraw/zinc/61/66/35/635616635.db2.gz MQHYUDCGFBCLLZ-NWDGAFQWSA-N 2 1 266.360 2.251 20 0 CEADMP Cc1cc2ncn(C[NH+]3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)c2cc1C ZINC000904436634 635630330 /nfs/dbraw/zinc/63/03/30/635630330.db2.gz JBKVUATWKCMOEE-QAPCUYQASA-N 2 1 298.434 2.494 20 0 CEADMP Cc1cc2ncn(C[NH+]3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)c2cc1C ZINC000904436634 635630333 /nfs/dbraw/zinc/63/03/33/635630333.db2.gz JBKVUATWKCMOEE-QAPCUYQASA-N 2 1 298.434 2.494 20 0 CEADMP Cc1cc2ncn(C[N@H+]3C[C@H]4C[NH+](C)C[C@@]4(C)C3)c2cc1C ZINC000904436634 635630348 /nfs/dbraw/zinc/63/03/48/635630348.db2.gz JBKVUATWKCMOEE-QAPCUYQASA-N 2 1 298.434 2.494 20 0 CEADMP Cc1cc2ncn(C[N@@H+]3C[C@H]4C[NH+](C)C[C@@]4(C)C3)c2cc1C ZINC000904436634 635630352 /nfs/dbraw/zinc/63/03/52/635630352.db2.gz JBKVUATWKCMOEE-QAPCUYQASA-N 2 1 298.434 2.494 20 0 CEADMP c1cc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cs1 ZINC000904420510 635631272 /nfs/dbraw/zinc/63/12/72/635631272.db2.gz RCASIIKRKPGFJE-WCQYABFASA-N 2 1 288.420 2.180 20 0 CEADMP c1cc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cs1 ZINC000904420510 635631275 /nfs/dbraw/zinc/63/12/75/635631275.db2.gz RCASIIKRKPGFJE-WCQYABFASA-N 2 1 288.420 2.180 20 0 CEADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cocn2)CC1 ZINC000904459863 635644670 /nfs/dbraw/zinc/64/46/70/635644670.db2.gz ZASYTAGOLHZSIZ-UHFFFAOYSA-N 2 1 271.364 2.167 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@@H](Cc3nccs3)C2)CC[NH2+]C1 ZINC000904470532 635646935 /nfs/dbraw/zinc/64/69/35/635646935.db2.gz ZFDJIVJMNARNNE-GXTWGEPZSA-N 2 1 265.426 2.007 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@](C)(O)C(F)F)C1 ZINC000905044325 635785631 /nfs/dbraw/zinc/78/56/31/635785631.db2.gz CEKCMSZNYWMQAO-OCCSQVGLSA-N 2 1 278.387 2.104 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc(C)c2)C1 ZINC000905065595 635809078 /nfs/dbraw/zinc/80/90/78/635809078.db2.gz IQQOUBOWYUGEKX-NVXWUHKLSA-N 2 1 276.424 2.350 20 0 CEADMP CC(C)(C)[NH2+]CCC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000827078244 636206305 /nfs/dbraw/zinc/20/63/05/636206305.db2.gz LFTQFMQJBALNPS-HNNXBMFYSA-N 2 1 295.471 2.288 20 0 CEADMP CCSc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000905410000 636261356 /nfs/dbraw/zinc/26/13/56/636261356.db2.gz MZNLGIPOQZFYJG-HNNXBMFYSA-N 2 1 294.464 2.345 20 0 CEADMP C[N@@H+](CCNC(=O)c1cccc(C[NH3+])c1)Cc1ccccc1 ZINC000827556298 636351174 /nfs/dbraw/zinc/35/11/74/636351174.db2.gz NYOIZASZGLJJSO-UHFFFAOYSA-N 2 1 297.402 2.007 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CCO1 ZINC000827856421 636443203 /nfs/dbraw/zinc/44/32/03/636443203.db2.gz ORKNMVXIHJRBOW-ZACQAIPSSA-N 2 1 298.471 2.234 20 0 CEADMP CC[NH+](CC)CCC[NH2+]C[C@](O)(CC)C(F)(F)F ZINC000905872474 636500639 /nfs/dbraw/zinc/50/06/39/636500639.db2.gz VYVHDTJZNMWPGS-LLVKDONJSA-N 2 1 270.339 2.011 20 0 CEADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906508593 636758956 /nfs/dbraw/zinc/75/89/56/636758956.db2.gz QZJDPMPWKFBNRT-QAQDUYKDSA-N 2 1 298.434 2.436 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000906511196 636761438 /nfs/dbraw/zinc/76/14/38/636761438.db2.gz XNNAEUCKERAHAY-UHFFFAOYSA-N 2 1 282.771 2.081 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(C[NH3+])c1 ZINC000829548909 636878207 /nfs/dbraw/zinc/87/82/07/636878207.db2.gz SFNWXEJWXCWOLZ-MRXNPFEDSA-N 2 1 289.423 2.140 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000834475238 637841946 /nfs/dbraw/zinc/84/19/46/637841946.db2.gz OFILHUSESNEVAY-JYJNAYRXSA-N 2 1 295.471 2.084 20 0 CEADMP CC[N@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000910270393 637966192 /nfs/dbraw/zinc/96/61/92/637966192.db2.gz LVIIJSPMYRTJBC-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000835064200 638045695 /nfs/dbraw/zinc/04/56/95/638045695.db2.gz VDVAKDQNFZKIQF-UHFFFAOYSA-N 2 1 265.376 2.493 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000911194236 638256218 /nfs/dbraw/zinc/25/62/18/638256218.db2.gz RPIVNCMISWZYCT-FHERZECASA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000912648959 638753740 /nfs/dbraw/zinc/75/37/40/638753740.db2.gz MHQINOJISSZZLW-OAGGEKHMSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(C)([NH+](C)C)CC2)C1 ZINC000913386887 639270607 /nfs/dbraw/zinc/27/06/07/639270607.db2.gz JQFXRNYCDZYIPR-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCn1nc(C)c(C[NH2+]C[C@@H](C)C[NH3+])c1Cl ZINC000841049147 639632514 /nfs/dbraw/zinc/63/25/14/639632514.db2.gz NOQJWMXPOHZFNB-JTQLQIEISA-N 2 1 272.824 2.329 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C[C@@H]1C[NH3+] ZINC000841101161 639663067 /nfs/dbraw/zinc/66/30/67/639663067.db2.gz QFQVEFPQRZXWSH-LRDDRELGSA-N 2 1 260.381 2.134 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000229257528 639687787 /nfs/dbraw/zinc/68/77/87/639687787.db2.gz SIPZEQTWMZAQHO-KGLIPLIRSA-N 2 1 260.381 2.223 20 0 CEADMP CCc1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000088760617 640010220 /nfs/dbraw/zinc/01/02/20/640010220.db2.gz MOTVWLYNVPMOLF-HNNXBMFYSA-N 2 1 274.412 2.316 20 0 CEADMP COC[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC000929783425 640196139 /nfs/dbraw/zinc/19/61/39/640196139.db2.gz RIJHGVZMSGZVAZ-SOUVJXGZSA-N 2 1 256.434 2.320 20 0 CEADMP COC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC000929783425 640196144 /nfs/dbraw/zinc/19/61/44/640196144.db2.gz RIJHGVZMSGZVAZ-SOUVJXGZSA-N 2 1 256.434 2.320 20 0 CEADMP COC[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000929783425 640196147 /nfs/dbraw/zinc/19/61/47/640196147.db2.gz RIJHGVZMSGZVAZ-SOUVJXGZSA-N 2 1 256.434 2.320 20 0 CEADMP COC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000929783425 640196149 /nfs/dbraw/zinc/19/61/49/640196149.db2.gz RIJHGVZMSGZVAZ-SOUVJXGZSA-N 2 1 256.434 2.320 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC2(Cl)Cl)CC[N@H+]1C ZINC000877070605 650558954 /nfs/dbraw/zinc/55/89/54/650558954.db2.gz QTXSVDNKTRJVOR-OPRDCNLKSA-N 2 1 251.201 2.253 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)[nH]1 ZINC000877074000 650560474 /nfs/dbraw/zinc/56/04/74/650560474.db2.gz XKDOVVGHQXGBEG-GXTWGEPZSA-N 2 1 293.411 2.154 20 0 CEADMP CC(C)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC000843358901 640402981 /nfs/dbraw/zinc/40/29/81/640402981.db2.gz BQUCNZBZBWQWHH-WMLDXEAASA-N 2 1 294.414 2.427 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CC[NH2+]CC1 ZINC000843360244 640403422 /nfs/dbraw/zinc/40/34/22/640403422.db2.gz JDHPICNYWGFYSY-MQVJKMGUSA-N 3 1 265.445 2.110 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC1CC[NH2+]CC1 ZINC000843360244 640403425 /nfs/dbraw/zinc/40/34/25/640403425.db2.gz JDHPICNYWGFYSY-MQVJKMGUSA-N 3 1 265.445 2.110 20 0 CEADMP CCCCOC(=O)[C@@H](C)[NH+]1CCC(CC[NH2+]C)CC1 ZINC000843363572 640405629 /nfs/dbraw/zinc/40/56/29/640405629.db2.gz YFNLDDCYQFEUKL-CYBMUJFWSA-N 2 1 270.417 2.040 20 0 CEADMP Cc1ccc(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843364045 640405773 /nfs/dbraw/zinc/40/57/73/640405773.db2.gz MOLFZIZWDJWZDB-UHFFFAOYSA-N 2 1 274.408 2.449 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000843377470 640410210 /nfs/dbraw/zinc/41/02/10/640410210.db2.gz RHSFKSXVZTXBPP-DOMZBBRYSA-N 2 1 266.360 2.264 20 0 CEADMP C[N@@H+](CCCCc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000917009562 640838050 /nfs/dbraw/zinc/83/80/50/640838050.db2.gz WAIPUFHQIWEIED-GOSISDBHSA-N 2 1 290.451 2.398 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000845997199 641146912 /nfs/dbraw/zinc/14/69/12/641146912.db2.gz WYPNNSRQFNBOKY-LSDHHAIUSA-N 2 1 256.434 2.369 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000846222207 641230972 /nfs/dbraw/zinc/23/09/72/641230972.db2.gz ULNKKFXPAGFMCM-OAHLLOKOSA-N 2 1 253.434 2.066 20 0 CEADMP [NH3+]CCCCCCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000846222207 641230975 /nfs/dbraw/zinc/23/09/75/641230975.db2.gz ULNKKFXPAGFMCM-OAHLLOKOSA-N 2 1 253.434 2.066 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C/C=C\Cl)C1 ZINC000846229316 641236153 /nfs/dbraw/zinc/23/61/53/641236153.db2.gz SRKKRMMUQJHHQL-QOLLYXOTSA-N 2 1 258.793 2.100 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877258891 650645023 /nfs/dbraw/zinc/64/50/23/650645023.db2.gz VACMTKKPHMESEW-JKIFEVAISA-N 2 1 295.471 2.083 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000846836324 641446011 /nfs/dbraw/zinc/44/60/11/641446011.db2.gz CYAYGPJSMKECFR-JTQLQIEISA-N 2 1 261.291 2.237 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000846836324 641446017 /nfs/dbraw/zinc/44/60/17/641446017.db2.gz CYAYGPJSMKECFR-JTQLQIEISA-N 2 1 261.291 2.237 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000847005767 641518862 /nfs/dbraw/zinc/51/88/62/641518862.db2.gz ZGOKJWQKGNGFAA-KRWDZBQOSA-N 2 1 287.407 2.192 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000847005767 641518865 /nfs/dbraw/zinc/51/88/65/641518865.db2.gz ZGOKJWQKGNGFAA-KRWDZBQOSA-N 2 1 287.407 2.192 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc2ccccc2c1 ZINC000261558711 641521963 /nfs/dbraw/zinc/52/19/63/641521963.db2.gz HYNVQGRPMLOWHQ-QWHCGFSZSA-N 2 1 255.365 2.404 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(NC(=O)CCC(C)(C)[NH3+])cn1 ZINC000070086774 641632346 /nfs/dbraw/zinc/63/23/46/641632346.db2.gz HGULYKSPJYYMRQ-UHFFFAOYSA-N 2 1 287.367 2.032 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)nc2)C1 ZINC000189138748 641689942 /nfs/dbraw/zinc/68/99/42/641689942.db2.gz YVKBXILVRNWMEY-CHWSQXEVSA-N 2 1 251.349 2.183 20 0 CEADMP C[C@@H]1C[C@H](NC(=O)CC2(C[NH3+])CCCCC2)C[N@H+]1C1CC1 ZINC000184244273 641846319 /nfs/dbraw/zinc/84/63/19/641846319.db2.gz YQPQRZDOOSVPDQ-KGLIPLIRSA-N 2 1 293.455 2.027 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185225292 641953625 /nfs/dbraw/zinc/95/36/25/641953625.db2.gz IAZFGYFSDYBOHL-DOMZBBRYSA-N 2 1 289.379 2.342 20 0 CEADMP C[C@@H](Cc1ccco1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848521483 642029446 /nfs/dbraw/zinc/02/94/46/642029446.db2.gz SLZTZZIHSNPLNU-YOEHRIQHSA-N 2 1 292.423 2.444 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]C(C)C)C(C)(C)C1 ZINC000996672383 642126713 /nfs/dbraw/zinc/12/67/13/642126713.db2.gz GGDJKHRGDLGYSX-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000996903147 642158206 /nfs/dbraw/zinc/15/82/06/642158206.db2.gz HKULITWGPHFMGE-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1ccc(CNC(=[NH2+])NC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000848996474 642215996 /nfs/dbraw/zinc/21/59/96/642215996.db2.gz XILZSHRXEKFQAB-INIZCTEOSA-N 2 1 288.439 2.339 20 0 CEADMP c1nn(C2CCC2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000921547150 642228158 /nfs/dbraw/zinc/22/81/58/642228158.db2.gz IJKDGCAPLDMFQL-ZBFHGGJFSA-N 2 1 274.412 2.325 20 0 CEADMP c1nn(C2CCC2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000921547150 642228162 /nfs/dbraw/zinc/22/81/62/642228162.db2.gz IJKDGCAPLDMFQL-ZBFHGGJFSA-N 2 1 274.412 2.325 20 0 CEADMP CC(C)CCNC(=[NH2+])NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000849023167 642236867 /nfs/dbraw/zinc/23/68/67/642236867.db2.gz RQVVWOSIXJKRRV-CQSZACIVSA-N 2 1 266.433 2.163 20 0 CEADMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])Nc2ccccc2)C1 ZINC000849041057 642251645 /nfs/dbraw/zinc/25/16/45/642251645.db2.gz IYMGEPODRAGERI-CYBMUJFWSA-N 2 1 260.385 2.355 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H]2CC2(Cl)Cl)CCCO1 ZINC000877478963 650740497 /nfs/dbraw/zinc/74/04/97/650740497.db2.gz SNPCQYJCUGVIOQ-VXGBXAGGSA-N 2 1 295.254 2.271 20 0 CEADMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000998198914 642373427 /nfs/dbraw/zinc/37/34/27/642373427.db2.gz OLWDELHJLQYDIO-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000998198914 642373433 /nfs/dbraw/zinc/37/34/33/642373433.db2.gz OLWDELHJLQYDIO-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000998198914 642373450 /nfs/dbraw/zinc/37/34/50/642373450.db2.gz OLWDELHJLQYDIO-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000999553446 642497268 /nfs/dbraw/zinc/49/72/68/642497268.db2.gz AGINPSAYBGDAEP-CQSZACIVSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(Cl)nn3)C2)CC1 ZINC000877528680 650769541 /nfs/dbraw/zinc/76/95/41/650769541.db2.gz HXPUPEDCCJNLLD-CYBMUJFWSA-N 2 1 294.830 2.294 20 0 CEADMP C[NH+](C)Cc1cnc(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)s1 ZINC000850352031 642678003 /nfs/dbraw/zinc/67/80/03/642678003.db2.gz YUUDATDEABIIBD-LBPRGKRZSA-N 2 1 296.484 2.167 20 0 CEADMP C[NH+](C)Cc1cnc(CN[C@H]2CC[N@H+](C(C)(C)C)C2)s1 ZINC000850352031 642678007 /nfs/dbraw/zinc/67/80/07/642678007.db2.gz YUUDATDEABIIBD-LBPRGKRZSA-N 2 1 296.484 2.167 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C=CCC2)[C@H](C)C1 ZINC000850508882 642735246 /nfs/dbraw/zinc/73/52/46/642735246.db2.gz KWYLMJUFZRIOTJ-OAGGEKHMSA-N 2 1 266.429 2.432 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)[C@H]2CCC[C@@H]21 ZINC000850523141 642739995 /nfs/dbraw/zinc/73/99/95/642739995.db2.gz ARBPNIMEHLSLRV-XGUBFFRZSA-N 2 1 264.413 2.160 20 0 CEADMP C[N@H+]1CC=C(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000921969592 642817656 /nfs/dbraw/zinc/81/76/56/642817656.db2.gz YXNZKRVVBPQGIU-UHFFFAOYSA-N 2 1 280.803 2.292 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000921969592 642817664 /nfs/dbraw/zinc/81/76/64/642817664.db2.gz YXNZKRVVBPQGIU-UHFFFAOYSA-N 2 1 280.803 2.292 20 0 CEADMP CS[C@@H]1CCC[C@H]([N@@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000922274201 642994443 /nfs/dbraw/zinc/99/44/43/642994443.db2.gz UMIWNYZSFOCJOR-JKSUJKDBSA-N 2 1 299.528 2.230 20 0 CEADMP CS[C@H]1CCC[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000922273765 642994805 /nfs/dbraw/zinc/99/48/05/642994805.db2.gz KGCRPIBATUSWJI-YPMHNXCESA-N 2 1 253.415 2.226 20 0 CEADMP CO[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000851795607 643166833 /nfs/dbraw/zinc/16/68/33/643166833.db2.gz GJWVCYJWGFSCMD-BZUAXINKSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@@H]1CC[C@@H]([NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000851795607 643166836 /nfs/dbraw/zinc/16/68/36/643166836.db2.gz GJWVCYJWGFSCMD-BZUAXINKSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@@H]1CC[C@@H]([NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000851795607 643166840 /nfs/dbraw/zinc/16/68/40/643166840.db2.gz GJWVCYJWGFSCMD-BZUAXINKSA-N 2 1 266.429 2.218 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(F)n2)C1 ZINC000851800522 643169749 /nfs/dbraw/zinc/16/97/49/643169749.db2.gz ZZKSKZOPLJJLSU-OAHLLOKOSA-N 2 1 295.402 2.153 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(F)n2)C1 ZINC000851800522 643169752 /nfs/dbraw/zinc/16/97/52/643169752.db2.gz ZZKSKZOPLJJLSU-OAHLLOKOSA-N 2 1 295.402 2.153 20 0 CEADMP C[NH+](C)CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1cccnc1 ZINC000922633942 643172709 /nfs/dbraw/zinc/17/27/09/643172709.db2.gz VLSDNHCCDSRJGH-DZGCQCFKSA-N 2 1 279.453 2.417 20 0 CEADMP CC1(C)OC[C@H](CC[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)O1 ZINC000851845695 643187888 /nfs/dbraw/zinc/18/78/88/643187888.db2.gz MEAFDEUYPRJDSX-OLZOCXBDSA-N 2 1 279.384 2.131 20 0 CEADMP CCCCCC[C@@H](O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000923283735 643635520 /nfs/dbraw/zinc/63/55/20/643635520.db2.gz XRGUDCKBVGJSBQ-HUUCEWRRSA-N 2 1 256.434 2.249 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923280008 643637515 /nfs/dbraw/zinc/63/75/15/643637515.db2.gz CXVNJNPPMMRCOL-CRAIPNDOSA-N 2 1 284.403 2.024 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000923282878 643638534 /nfs/dbraw/zinc/63/85/34/643638534.db2.gz YAVJIZRCKQEPPJ-GXFFZTMASA-N 2 1 288.313 2.019 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000923282878 643638538 /nfs/dbraw/zinc/63/85/38/643638538.db2.gz YAVJIZRCKQEPPJ-GXFFZTMASA-N 2 1 288.313 2.019 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@H](O)CCc2ccccc2)[C@H]1C[NH3+] ZINC000923289892 643642863 /nfs/dbraw/zinc/64/28/63/643642863.db2.gz UQULMEQTBLMHFD-OIISXLGYSA-N 2 1 276.424 2.039 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H](O)CCc2ccccc2)[C@H]1C[NH3+] ZINC000923289892 643642865 /nfs/dbraw/zinc/64/28/65/643642865.db2.gz UQULMEQTBLMHFD-OIISXLGYSA-N 2 1 276.424 2.039 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@@H](O)CCc2ccccc2)[C@@H]1C[NH3+] ZINC000923289891 643643102 /nfs/dbraw/zinc/64/31/02/643643102.db2.gz UQULMEQTBLMHFD-HYVNUMGLSA-N 2 1 276.424 2.039 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)CCc2ccccc2)[C@@H]1C[NH3+] ZINC000923289891 643643118 /nfs/dbraw/zinc/64/31/18/643643118.db2.gz UQULMEQTBLMHFD-HYVNUMGLSA-N 2 1 276.424 2.039 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000923299393 643644141 /nfs/dbraw/zinc/64/41/41/643644141.db2.gz ZGDALDCXRKHKOF-IRXDYDNUSA-N 2 1 278.440 2.285 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000923294462 643646193 /nfs/dbraw/zinc/64/61/93/643646193.db2.gz LXZPQTRFFFLTOB-HUUCEWRRSA-N 2 1 268.376 2.164 20 0 CEADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303518 643650781 /nfs/dbraw/zinc/65/07/81/643650781.db2.gz FGILADZALGHIED-LSDHHAIUSA-N 2 1 274.408 2.366 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H]2CCCC[C@@H]12 ZINC000923304964 643652228 /nfs/dbraw/zinc/65/22/28/643652228.db2.gz DHGZINPQOZBWQJ-UGUYLWEFSA-N 2 1 278.440 2.266 20 0 CEADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923310665 643658321 /nfs/dbraw/zinc/65/83/21/643658321.db2.gz WMFFKKOZTMBYOD-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP [NH3+]C1(C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CCC1 ZINC000923333073 643666195 /nfs/dbraw/zinc/66/61/95/643666195.db2.gz TWABXEJSEYLJEK-LBPRGKRZSA-N 2 1 288.313 2.210 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000923348770 643672281 /nfs/dbraw/zinc/67/22/81/643672281.db2.gz JYYKOJWNCBLDPB-XHDPSFHLSA-N 2 1 284.350 2.059 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)CC[C@H]1[NH3+] ZINC000923346673 643675889 /nfs/dbraw/zinc/67/58/89/643675889.db2.gz UXACTIOKZKMDBW-BRWVUGGUSA-N 2 1 276.424 2.039 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)c(F)c2)CC[C@@H]1[NH3+] ZINC000923345395 643675946 /nfs/dbraw/zinc/67/59/46/643675946.db2.gz KIXFSSLHCZUGHV-ONERCXAPSA-N 2 1 284.350 2.057 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)CC[C@@H]1[NH3+] ZINC000923345395 643675948 /nfs/dbraw/zinc/67/59/48/643675948.db2.gz KIXFSSLHCZUGHV-ONERCXAPSA-N 2 1 284.350 2.057 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H](O)CCc1ccccc1 ZINC000923353610 643678383 /nfs/dbraw/zinc/67/83/83/643678383.db2.gz KIXJXHFKYGKBOS-IRXDYDNUSA-N 2 1 276.424 2.183 20 0 CEADMP C[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)C1CC([NH3+])C1 ZINC000923363298 643679870 /nfs/dbraw/zinc/67/98/70/643679870.db2.gz QWDDDNVWOVKUEG-DAWZGUTISA-N 2 1 284.403 2.165 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923365234 643680845 /nfs/dbraw/zinc/68/08/45/643680845.db2.gz DCQPHOXKQCXWRC-HZPDHXFCSA-N 2 1 266.429 2.003 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000923388068 643692630 /nfs/dbraw/zinc/69/26/30/643692630.db2.gz QSTLYOKUTCBWSC-SMDDNHRTSA-N 2 1 265.401 2.495 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H](O)Cc2ccccc2)[C@@H]1C ZINC000923421878 643703252 /nfs/dbraw/zinc/70/32/52/643703252.db2.gz FNBPXMWQSMIRJD-MUIFIZLQSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H](O)Cc2ccccc2)[C@@H]1C ZINC000923421878 643703253 /nfs/dbraw/zinc/70/32/53/643703253.db2.gz FNBPXMWQSMIRJD-MUIFIZLQSA-N 2 1 276.424 2.038 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@@H](O)Cc1ccccc1 ZINC000923426217 643705096 /nfs/dbraw/zinc/70/50/96/643705096.db2.gz OEKGLHLXBIEGBV-INIZCTEOSA-N 2 1 264.413 2.041 20 0 CEADMP CC[C@H](O)C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000923426199 643705280 /nfs/dbraw/zinc/70/52/80/643705280.db2.gz NUPJOANVAKYQIK-KBMXLJTQSA-N 2 1 268.445 2.377 20 0 CEADMP FC1(F)C[C@@]2(CC[N@H+](CCC[NH2+]C3CC3)C2)C1(F)F ZINC000923427160 643705918 /nfs/dbraw/zinc/70/59/18/643705918.db2.gz AASKBYAWIFNFQO-LLVKDONJSA-N 2 1 280.309 2.495 20 0 CEADMP FC1(F)C[C@@]2(CC[N@@H+](CCC[NH2+]C3CC3)C2)C1(F)F ZINC000923427160 643705921 /nfs/dbraw/zinc/70/59/21/643705921.db2.gz AASKBYAWIFNFQO-LLVKDONJSA-N 2 1 280.309 2.495 20 0 CEADMP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000923426817 643706041 /nfs/dbraw/zinc/70/60/41/643706041.db2.gz GWNUCGFHIRUJTN-IAGOWNOFSA-N 2 1 288.435 2.244 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)c(C)c1 ZINC000923487452 643729994 /nfs/dbraw/zinc/72/99/94/643729994.db2.gz LUYULQGVRUVSAL-GJZGRUSLSA-N 2 1 289.423 2.301 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000923478674 643730716 /nfs/dbraw/zinc/73/07/16/643730716.db2.gz GCGMKKZZSVQXMI-YGRLFVJLSA-N 2 1 286.778 2.183 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000923479125 643731174 /nfs/dbraw/zinc/73/11/74/643731174.db2.gz LOZHSTZRHDRHBQ-JTQLQIEISA-N 2 1 273.302 2.271 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000923481274 643731814 /nfs/dbraw/zinc/73/18/14/643731814.db2.gz OMPZYHPVSGXJKY-CQSZACIVSA-N 2 1 282.391 2.314 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000923480960 643731894 /nfs/dbraw/zinc/73/18/94/643731894.db2.gz NANGRAVXWYWRTC-GFCCVEGCSA-N 2 1 298.333 2.221 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000923480962 643731965 /nfs/dbraw/zinc/73/19/65/643731965.db2.gz NANGRAVXWYWRTC-LBPRGKRZSA-N 2 1 298.333 2.221 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923485938 643733100 /nfs/dbraw/zinc/73/31/00/643733100.db2.gz ZIUZQVBSJGEERF-UONOGXRCSA-N 2 1 289.423 2.247 20 0 CEADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)c(F)c1 ZINC000923485355 643733347 /nfs/dbraw/zinc/73/33/47/643733347.db2.gz IRSBXKIYPLSTNU-CHWSQXEVSA-N 2 1 293.386 2.132 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)CO2)CC[C@H]1C[NH3+] ZINC000923492123 643735965 /nfs/dbraw/zinc/73/59/65/643735965.db2.gz WBXPQANINJSXJD-RDBSUJKOSA-N 2 1 254.418 2.108 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2cccc(F)c2)CC[C@H]1C[NH3+] ZINC000923502157 643738046 /nfs/dbraw/zinc/73/80/46/643738046.db2.gz XSIHJYCRWABHRO-OLZOCXBDSA-N 2 1 266.360 2.121 20 0 CEADMP Clc1ccccc1OCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521740 643749323 /nfs/dbraw/zinc/74/93/23/643749323.db2.gz TZJVTPDFECFCLA-QWHCGFSZSA-N 2 1 280.799 2.260 20 0 CEADMP Clc1ccccc1OCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521740 643749328 /nfs/dbraw/zinc/74/93/28/643749328.db2.gz TZJVTPDFECFCLA-QWHCGFSZSA-N 2 1 280.799 2.260 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923513228 643749797 /nfs/dbraw/zinc/74/97/97/643749797.db2.gz IXJRHBDVEQBXLH-RBSFLKMASA-N 2 1 289.423 2.157 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923513228 643749802 /nfs/dbraw/zinc/74/98/02/643749802.db2.gz IXJRHBDVEQBXLH-RBSFLKMASA-N 2 1 289.423 2.157 20 0 CEADMP OC[C@@H]1CCCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000923529873 643750626 /nfs/dbraw/zinc/75/06/26/643750626.db2.gz CMVDFHKQBJIJGK-HNNXBMFYSA-N 2 1 254.418 2.003 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000923526789 643751410 /nfs/dbraw/zinc/75/14/10/643751410.db2.gz UYZPCFCJHINQQX-QWGSZXSUSA-N 2 1 260.381 2.140 20 0 CEADMP CC(C)C[C@@H]1CN(C)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000923557924 643764671 /nfs/dbraw/zinc/76/46/71/643764671.db2.gz PCEDAMALYPHYLI-MRXNPFEDSA-N 2 1 267.461 2.038 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CCC=CO2)C1 ZINC000774908229 643811728 /nfs/dbraw/zinc/81/17/28/643811728.db2.gz HPWQYVDGBDWGFC-HZPDHXFCSA-N 2 1 264.413 2.343 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000774908229 643811730 /nfs/dbraw/zinc/81/17/30/643811730.db2.gz HPWQYVDGBDWGFC-HZPDHXFCSA-N 2 1 264.413 2.343 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC000774908229 643811732 /nfs/dbraw/zinc/81/17/32/643811732.db2.gz HPWQYVDGBDWGFC-HZPDHXFCSA-N 2 1 264.413 2.343 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)C2CC2)C1 ZINC000838845829 644043827 /nfs/dbraw/zinc/04/38/27/644043827.db2.gz WNDQYPODDHXSQK-HLLBOEOZSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000838845829 644043842 /nfs/dbraw/zinc/04/38/42/644043842.db2.gz WNDQYPODDHXSQK-HLLBOEOZSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000838845829 644043852 /nfs/dbraw/zinc/04/38/52/644043852.db2.gz WNDQYPODDHXSQK-HLLBOEOZSA-N 2 1 280.456 2.344 20 0 CEADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccn1 ZINC000838920397 644070057 /nfs/dbraw/zinc/07/00/57/644070057.db2.gz OUBBXEFIOISWGK-HNNXBMFYSA-N 2 1 258.369 2.345 20 0 CEADMP C[N@H+](C[C@@H](O)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000838896095 644073117 /nfs/dbraw/zinc/07/31/17/644073117.db2.gz XQSLXEGQDLGJNK-GOSISDBHSA-N 2 1 288.435 2.354 20 0 CEADMP C[N@@H+](C[C@@H](O)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000838896095 644073123 /nfs/dbraw/zinc/07/31/23/644073123.db2.gz XQSLXEGQDLGJNK-GOSISDBHSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C1CC1 ZINC000838934926 644091101 /nfs/dbraw/zinc/09/11/01/644091101.db2.gz BUAJJBJHIARZOL-OLMNPRSZSA-N 2 1 288.435 2.258 20 0 CEADMP CO[C@@H](C)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877794242 650912109 /nfs/dbraw/zinc/91/21/09/650912109.db2.gz HZWHOWBSAAMGBD-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP c1ccc(NCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000754793236 644431148 /nfs/dbraw/zinc/43/11/48/644431148.db2.gz DSFIBFXHWSHXAY-HOTGVXAUSA-N 2 1 259.397 2.315 20 0 CEADMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(Cl)n1 ZINC000857041362 644798019 /nfs/dbraw/zinc/79/80/19/644798019.db2.gz MZBXYZXLWZYMRK-UHFFFAOYSA-N 2 1 296.846 2.381 20 0 CEADMP COc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858092933 645058445 /nfs/dbraw/zinc/05/84/45/645058445.db2.gz NRDJPSKWHYJNQR-GOEBONIOSA-N 2 1 292.423 2.191 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccccc2)CC1(C)C ZINC000858137252 645071962 /nfs/dbraw/zinc/07/19/62/645071962.db2.gz KPTGZMGMGMKBTK-RDJZCZTQSA-N 2 1 276.424 2.357 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@](C)(O)c2cccs2)CC1(C)C ZINC000858142914 645073328 /nfs/dbraw/zinc/07/33/28/645073328.db2.gz QYCLBQIZCDLMMP-DOMZBBRYSA-N 2 1 282.453 2.418 20 0 CEADMP OCc1cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc[nH+]1 ZINC000858635468 645227433 /nfs/dbraw/zinc/22/74/33/645227433.db2.gz IJOCLZXEJNAXOI-AWEZNQCLSA-N 2 1 275.396 2.108 20 0 CEADMP C[NH+](C[C@@H]1CCC2(CCC2)O1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878124396 651006848 /nfs/dbraw/zinc/00/68/48/651006848.db2.gz HIXAZRNUPZPNGO-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2COC(C)(C)O2)cc1 ZINC000859213300 645421885 /nfs/dbraw/zinc/42/18/85/645421885.db2.gz VCVDMDLFDUMISK-INIZCTEOSA-N 2 1 292.423 2.332 20 0 CEADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878201256 651035751 /nfs/dbraw/zinc/03/57/51/651035751.db2.gz ZVTPLZSHIGLQIM-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC000765937641 645822884 /nfs/dbraw/zinc/82/28/84/645822884.db2.gz UIWYJUVOSNQCFC-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000862482402 646475322 /nfs/dbraw/zinc/47/53/22/646475322.db2.gz HUKXHWJWFIYXSF-INIZCTEOSA-N 2 1 296.455 2.241 20 0 CEADMP C[N@@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CCCCC1 ZINC000774146435 646809723 /nfs/dbraw/zinc/80/97/23/646809723.db2.gz HJFXNXPKFOLPAM-ZXFUBFMLSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+](CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000774146435 646809726 /nfs/dbraw/zinc/80/97/26/646809726.db2.gz HJFXNXPKFOLPAM-ZXFUBFMLSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+](CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000774146435 646809730 /nfs/dbraw/zinc/80/97/30/646809730.db2.gz HJFXNXPKFOLPAM-ZXFUBFMLSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000864465179 647019421 /nfs/dbraw/zinc/01/94/21/647019421.db2.gz QWSUTLDDQLISIC-BMFZPTHFSA-N 2 1 286.423 2.031 20 0 CEADMP CC(=O)NCC1CCC([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000865452986 647300209 /nfs/dbraw/zinc/30/02/09/647300209.db2.gz UICKIMIOJXAFBH-UHFFFAOYSA-N 2 1 295.471 2.145 20 0 CEADMP CC(=O)NCC1CCC([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000865452986 647300210 /nfs/dbraw/zinc/30/02/10/647300210.db2.gz UICKIMIOJXAFBH-UHFFFAOYSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](CC(OC)OC)CC1)CC1CC1 ZINC000781902733 647570510 /nfs/dbraw/zinc/57/05/10/647570510.db2.gz KNFMHNSDHPXELU-UHFFFAOYSA-N 2 1 298.471 2.439 20 0 CEADMP CC[N@@H+](C[C@H](O)CN1CCCC1)[C@H]1CCCC[C@H]1C ZINC000781925383 647572822 /nfs/dbraw/zinc/57/28/22/647572822.db2.gz TUJZVNINHNEESD-OAGGEKHMSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCC[C@H]1C ZINC000781925383 647572824 /nfs/dbraw/zinc/57/28/24/647572824.db2.gz TUJZVNINHNEESD-OAGGEKHMSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCC[C@H]1C ZINC000781925383 647572825 /nfs/dbraw/zinc/57/28/25/647572825.db2.gz TUJZVNINHNEESD-OAGGEKHMSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC000782185455 647597580 /nfs/dbraw/zinc/59/75/80/647597580.db2.gz XBNCORSPEJFBFZ-UHFFFAOYSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)N1CCC([N@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC000782185455 647597581 /nfs/dbraw/zinc/59/75/81/647597581.db2.gz XBNCORSPEJFBFZ-UHFFFAOYSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)N1CCC([N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC000782185455 647597583 /nfs/dbraw/zinc/59/75/83/647597583.db2.gz XBNCORSPEJFBFZ-UHFFFAOYSA-N 2 1 267.461 2.133 20 0 CEADMP Cc1[nH+]ccn1CCN[C@H]1c2ccccc2OC[C@@H]1F ZINC000866251047 647695367 /nfs/dbraw/zinc/69/53/67/647695367.db2.gz MBSXSVOPWUCMFW-ZFWWWQNUSA-N 2 1 275.327 2.253 20 0 CEADMP C[C@H](CCc1cccnc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000866266452 647704888 /nfs/dbraw/zinc/70/48/88/647704888.db2.gz GZGGIOSBQBSTTJ-OAHLLOKOSA-N 2 1 291.439 2.103 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCSC2)[C@H](C)C1 ZINC000866401659 647775061 /nfs/dbraw/zinc/77/50/61/647775061.db2.gz CXLITAZXJQOWPB-RDBSUJKOSA-N 2 1 256.459 2.450 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCSC2)[C@@H](C)C1 ZINC000866401650 647775212 /nfs/dbraw/zinc/77/52/12/647775212.db2.gz CXLITAZXJQOWPB-IHRRRGAJSA-N 2 1 256.459 2.450 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000866525265 647815816 /nfs/dbraw/zinc/81/58/16/647815816.db2.gz RFXARZPBISZVFP-SYQHCUMBSA-N 2 1 282.428 2.179 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000866525265 647815824 /nfs/dbraw/zinc/81/58/24/647815824.db2.gz RFXARZPBISZVFP-SYQHCUMBSA-N 2 1 282.428 2.179 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)[C@@H](C)C1 ZINC000866537132 647819418 /nfs/dbraw/zinc/81/94/18/647819418.db2.gz LFQGARLCYICESQ-HJWJTTGWSA-N 2 1 280.456 2.369 20 0 CEADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000784478376 647854221 /nfs/dbraw/zinc/85/42/21/647854221.db2.gz UPXZWUJZBNXKFG-MSOLQXFVSA-N 2 1 288.435 2.241 20 0 CEADMP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704614 647876078 /nfs/dbraw/zinc/87/60/78/647876078.db2.gz OWZWIZFTQQXLNS-RHSMWYFYSA-N 2 1 297.487 2.234 20 0 CEADMP COc1ccc([C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1 ZINC000866705042 647876603 /nfs/dbraw/zinc/87/66/03/647876603.db2.gz ZMEBOAZLVLAHKQ-WMLDXEAASA-N 2 1 290.407 2.068 20 0 CEADMP Cc1noc(CCC[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866705829 647876968 /nfs/dbraw/zinc/87/69/68/647876968.db2.gz CIFZUZRYLBTIIK-HNNXBMFYSA-N 2 1 280.416 2.008 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866706343 647877418 /nfs/dbraw/zinc/87/74/18/647877418.db2.gz ODWDLWCXNBICBD-MRXNPFEDSA-N 2 1 278.444 2.197 20 0 CEADMP CC(C)N1CCC[C@H]([N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866706641 647878144 /nfs/dbraw/zinc/87/81/44/647878144.db2.gz PRTVTSHFJFSWLM-YOEHRIQHSA-N 2 1 295.471 2.083 20 0 CEADMP CCc1nocc1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709698 647879602 /nfs/dbraw/zinc/87/96/02/647879602.db2.gz YZJDZXMNPVNDGS-HNNXBMFYSA-N 2 1 265.401 2.434 20 0 CEADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCC[NH2+]C1 ZINC000866717344 647880597 /nfs/dbraw/zinc/88/05/97/647880597.db2.gz CCRXTXACYULFTR-KRWDZBQOSA-N 3 1 281.488 2.286 20 0 CEADMP Fc1cccc2c1C[N@@H+](CCC1CC[NH2+]CC1)CCO2 ZINC000866727515 647885069 /nfs/dbraw/zinc/88/50/69/647885069.db2.gz MXXQGBODHACUCW-UHFFFAOYSA-N 2 1 278.371 2.410 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)n(C)n1 ZINC000793514335 648767348 /nfs/dbraw/zinc/76/73/48/648767348.db2.gz FWAGAXFZYKHGSI-CQSZACIVSA-N 2 1 264.417 2.255 20 0 CEADMP CCCCOC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123474267 648994516 /nfs/dbraw/zinc/99/45/16/648994516.db2.gz UERONFKODIBDTC-UHFFFAOYSA-N 2 1 284.444 2.384 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000123490562 649010593 /nfs/dbraw/zinc/01/05/93/649010593.db2.gz SSGIHGPIBPCFQZ-FFSVYQOJSA-N 2 1 298.377 2.413 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000123490562 649010595 /nfs/dbraw/zinc/01/05/95/649010595.db2.gz SSGIHGPIBPCFQZ-FFSVYQOJSA-N 2 1 298.377 2.413 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc(F)c(F)c2)CC[NH+]1C ZINC000123490562 649010599 /nfs/dbraw/zinc/01/05/99/649010599.db2.gz SSGIHGPIBPCFQZ-FFSVYQOJSA-N 2 1 298.377 2.413 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc(F)c(F)c2)CC[NH+]1C ZINC000123490562 649010603 /nfs/dbraw/zinc/01/06/03/649010603.db2.gz SSGIHGPIBPCFQZ-FFSVYQOJSA-N 2 1 298.377 2.413 20 0 CEADMP C[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)CC1)[NH+]1CCCCCC1 ZINC000871153181 649014359 /nfs/dbraw/zinc/01/43/59/649014359.db2.gz ATMVPOSZUPDXSZ-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000123861844 649208759 /nfs/dbraw/zinc/20/87/59/649208759.db2.gz FMASGLYMHHOALI-INIZCTEOSA-N 2 1 295.471 2.084 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CCOCC1 ZINC000872036377 649249479 /nfs/dbraw/zinc/24/94/79/649249479.db2.gz USIVCWAAKDISGH-GJZGRUSLSA-N 2 1 298.471 2.281 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)[C@@H](C)C1 ZINC000872109859 649280503 /nfs/dbraw/zinc/28/05/03/649280503.db2.gz SRRSJUCUKFPOPJ-UVPYHEFZSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000872138863 649288962 /nfs/dbraw/zinc/28/89/62/649288962.db2.gz ZXXFAOOWEGHSHW-HZPDHXFCSA-N 2 1 262.397 2.182 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@H]2CC3(CCC3)CO2)[C@H]1C[NH3+] ZINC000872141757 649291443 /nfs/dbraw/zinc/29/14/43/649291443.db2.gz SDHLGNCZUSETPY-MCIONIFRSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)CO2)[C@H]1C[NH3+] ZINC000872141757 649291447 /nfs/dbraw/zinc/29/14/47/649291447.db2.gz SDHLGNCZUSETPY-MCIONIFRSA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000872143159 649292102 /nfs/dbraw/zinc/29/21/02/649292102.db2.gz MVXPSEZECUIWCO-ILXRZTDVSA-N 2 1 266.429 2.123 20 0 CEADMP C([C@H]1CC2(CCC2)CO1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000872142674 649292142 /nfs/dbraw/zinc/29/21/42/649292142.db2.gz CHDWYHWHMPCSDO-GDBMZVCRSA-N 2 1 264.413 2.021 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CC(C)(C)CO1)CC[NH2+]CC2 ZINC000872144521 649294566 /nfs/dbraw/zinc/29/45/66/649294566.db2.gz HATLJODQWOBTBK-ZIAGYGMSSA-N 2 1 266.429 2.266 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1C ZINC000872144813 649294796 /nfs/dbraw/zinc/29/47/96/649294796.db2.gz JASSJHYKTNVUFQ-OCCSQVGLSA-N 2 1 276.380 2.093 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1C ZINC000872144813 649294800 /nfs/dbraw/zinc/29/48/00/649294800.db2.gz JASSJHYKTNVUFQ-OCCSQVGLSA-N 2 1 276.380 2.093 20 0 CEADMP CO[C@H](C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CCCC1 ZINC000872150711 649297198 /nfs/dbraw/zinc/29/71/98/649297198.db2.gz ZZWWCIWAGLYXDW-RWMBFGLXSA-N 2 1 294.361 2.261 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+])C(C)C ZINC000872154939 649298503 /nfs/dbraw/zinc/29/85/03/649298503.db2.gz FYLXHPMHOYMFAT-HNNXBMFYSA-N 2 1 285.476 2.471 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H](C(F)(F)F)O1 ZINC000872154659 649298684 /nfs/dbraw/zinc/29/86/84/649298684.db2.gz VCSXQIRRWCNDOU-ZYHUDNBSSA-N 2 1 280.334 2.028 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]C1CCC(OC(C)(C)C)CC1)C1CC1 ZINC000872219340 649320390 /nfs/dbraw/zinc/32/03/90/649320390.db2.gz REPDIHPAXCZMCY-OGVSOVDVSA-N 2 1 298.471 2.157 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]C1CCC(OC(C)(C)C)CC1)C1CC1 ZINC000872219340 649320392 /nfs/dbraw/zinc/32/03/92/649320392.db2.gz REPDIHPAXCZMCY-OGVSOVDVSA-N 2 1 298.471 2.157 20 0 CEADMP C[N@@H+](CCCO)C1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872456127 649395027 /nfs/dbraw/zinc/39/50/27/649395027.db2.gz CBYQHVHVMDKBNW-UHFFFAOYSA-N 2 1 289.423 2.242 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCCCC[NH3+] ZINC000019505509 649397644 /nfs/dbraw/zinc/39/76/44/649397644.db2.gz NIZYZGNRRXFUTB-OAHLLOKOSA-N 2 1 283.460 2.276 20 0 CEADMP c1cn2c([nH+]1)C[C@@H](Nc1cc[nH+]cc1C1CC1)CC2 ZINC000872514666 649411145 /nfs/dbraw/zinc/41/11/45/649411145.db2.gz RWGUDVGMAXTMPL-LBPRGKRZSA-N 2 1 254.337 2.004 20 0 CEADMP O=C1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CCN1 ZINC000873148931 649570554 /nfs/dbraw/zinc/57/05/54/649570554.db2.gz JTJCAJPSCLSKSS-GOEBONIOSA-N 2 1 293.455 2.042 20 0 CEADMP O=C1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CCN1 ZINC000873148931 649570557 /nfs/dbraw/zinc/57/05/57/649570557.db2.gz JTJCAJPSCLSKSS-GOEBONIOSA-N 2 1 293.455 2.042 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000873219910 649595693 /nfs/dbraw/zinc/59/56/93/649595693.db2.gz HGWMQVIZWHNUHN-QGTPRVQTSA-N 3 1 287.451 2.457 20 0 CEADMP COC(=O)c1coc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000873223152 649596634 /nfs/dbraw/zinc/59/66/34/649596634.db2.gz IHYWPCPHOSBAPM-MRXNPFEDSA-N 2 1 294.395 2.263 20 0 CEADMP COC(=O)c1coc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000873223152 649596635 /nfs/dbraw/zinc/59/66/35/649596635.db2.gz IHYWPCPHOSBAPM-MRXNPFEDSA-N 2 1 294.395 2.263 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000873223459 649598002 /nfs/dbraw/zinc/59/80/02/649598002.db2.gz NSMZKWUIHCHDLL-GXTWGEPZSA-N 2 1 256.459 2.436 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000873223867 649598025 /nfs/dbraw/zinc/59/80/25/649598025.db2.gz UBAVAVBFSAJBHH-UKRRQHHQSA-N 2 1 254.418 2.110 20 0 CEADMP [NH3+]CC1(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC000873232230 649603148 /nfs/dbraw/zinc/60/31/48/649603148.db2.gz NMJIBLSIDHKWPX-HOCLYGCPSA-N 3 1 279.472 2.345 20 0 CEADMP [NH3+]CC1(CN2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC000873232230 649603153 /nfs/dbraw/zinc/60/31/53/649603153.db2.gz NMJIBLSIDHKWPX-HOCLYGCPSA-N 2 1 279.472 2.345 20 0 CEADMP Cc1ccc(CCC[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cn1 ZINC000873231663 649603198 /nfs/dbraw/zinc/60/31/98/649603198.db2.gz QOMAOBQSKFHYOW-JKSUJKDBSA-N 2 1 259.397 2.197 20 0 CEADMP CC(C)C[C@@H](N)C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232364 649603505 /nfs/dbraw/zinc/60/35/05/649603505.db2.gz XOHZSEQSZYDRIL-CABCVRRESA-N 2 1 267.461 2.262 20 0 CEADMP C[C@H]([NH2+]CC[C@H]1CCSC1)c1c[nH+]ccc1N ZINC000873236597 649604701 /nfs/dbraw/zinc/60/47/01/649604701.db2.gz YHPYCBRMACLVRA-QWRGUYRKSA-N 2 1 251.399 2.288 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873251799 649609823 /nfs/dbraw/zinc/60/98/23/649609823.db2.gz OGDRNSOZNMHZID-DZJNRPSUSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000873251799 649609825 /nfs/dbraw/zinc/60/98/25/649609825.db2.gz OGDRNSOZNMHZID-DZJNRPSUSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254652 649611869 /nfs/dbraw/zinc/61/18/69/649611869.db2.gz ZWTRDPLNUNLCQI-BGTYHANMSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254652 649611870 /nfs/dbraw/zinc/61/18/70/649611870.db2.gz ZWTRDPLNUNLCQI-BGTYHANMSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873296407 649631788 /nfs/dbraw/zinc/63/17/88/649631788.db2.gz YZQISHRSOCQVCM-TWRYWWQQSA-N 2 1 259.397 2.217 20 0 CEADMP C=C/C=C/CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000878325542 651068340 /nfs/dbraw/zinc/06/83/40/651068340.db2.gz SSZFFIVKSFQYSB-CSLAMCDYSA-N 2 1 277.456 2.077 20 0 CEADMP Fc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1 ZINC000878747770 651178226 /nfs/dbraw/zinc/17/82/26/651178226.db2.gz PIHVYACTRSULQY-UHFFFAOYSA-N 2 1 286.354 2.328 20 0 CEADMP Fc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1 ZINC000878747770 651178228 /nfs/dbraw/zinc/17/82/28/651178228.db2.gz PIHVYACTRSULQY-UHFFFAOYSA-N 2 1 286.354 2.328 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CC3(Br)CC3)C2)CC1 ZINC000878863840 651199934 /nfs/dbraw/zinc/19/99/34/651199934.db2.gz HSZOXILALAIHEN-UHFFFAOYSA-N 2 1 287.245 2.332 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CCC3(CCC3)O2)CCO1 ZINC000879000252 651225576 /nfs/dbraw/zinc/22/55/76/651225576.db2.gz AHCZUMJPNLYVNO-CVEARBPZSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)CCO1 ZINC000879000252 651225580 /nfs/dbraw/zinc/22/55/80/651225580.db2.gz AHCZUMJPNLYVNO-CVEARBPZSA-N 2 1 296.455 2.131 20 0 CEADMP Cc1noc([C@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC000879247453 651269836 /nfs/dbraw/zinc/26/98/36/651269836.db2.gz ASDSOXLELCEBSS-LBPRGKRZSA-N 2 1 278.400 2.247 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCOCc3ccccc3)CC[C@@H]21 ZINC000879579717 651326062 /nfs/dbraw/zinc/32/60/62/651326062.db2.gz ORPGDHCBQPACBO-IRXDYDNUSA-N 2 1 274.408 2.229 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCOCc3ccccc3)CC[C@@H]21 ZINC000879579717 651326064 /nfs/dbraw/zinc/32/60/64/651326064.db2.gz ORPGDHCBQPACBO-IRXDYDNUSA-N 2 1 274.408 2.229 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCOCc3ccccc3)CC[C@@H]21 ZINC000879579717 651326065 /nfs/dbraw/zinc/32/60/65/651326065.db2.gz ORPGDHCBQPACBO-IRXDYDNUSA-N 2 1 274.408 2.229 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCOCc3ccccc3)CC[C@@H]21 ZINC000879579717 651326066 /nfs/dbraw/zinc/32/60/66/651326066.db2.gz ORPGDHCBQPACBO-IRXDYDNUSA-N 2 1 274.408 2.229 20 0 CEADMP CCC[C@@H](O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703134 651341566 /nfs/dbraw/zinc/34/15/66/651341566.db2.gz DPPWGIKGYCHYOT-MRXNPFEDSA-N 2 1 270.461 2.447 20 0 CEADMP Cn1nccc1CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879951168 651364253 /nfs/dbraw/zinc/36/42/53/651364253.db2.gz JBBXILMWBFMXLY-UHFFFAOYSA-N 2 1 290.455 2.303 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879962757 651367718 /nfs/dbraw/zinc/36/77/18/651367718.db2.gz AUWJBSMUKOVXJU-AWEZNQCLSA-N 2 1 256.434 2.201 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879963489 651368002 /nfs/dbraw/zinc/36/80/02/651368002.db2.gz KOBYOVVWQLSDOW-OAHLLOKOSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879963489 651368004 /nfs/dbraw/zinc/36/80/04/651368004.db2.gz KOBYOVVWQLSDOW-OAHLLOKOSA-N 2 1 279.428 2.455 20 0 CEADMP COCCC[N@H+]1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000880020800 651375893 /nfs/dbraw/zinc/37/58/93/651375893.db2.gz PMKWTVIUNUTSSY-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP COCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020800 651375895 /nfs/dbraw/zinc/37/58/95/651375895.db2.gz PMKWTVIUNUTSSY-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP COCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020800 651375897 /nfs/dbraw/zinc/37/58/97/651375897.db2.gz PMKWTVIUNUTSSY-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000880042572 651378418 /nfs/dbraw/zinc/37/84/18/651378418.db2.gz DOLIPZJTZCJFSX-AWEZNQCLSA-N 2 1 293.411 2.018 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000880042572 651378419 /nfs/dbraw/zinc/37/84/19/651378419.db2.gz DOLIPZJTZCJFSX-AWEZNQCLSA-N 2 1 293.411 2.018 20 0 CEADMP CO[C@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C1CCC1 ZINC000880259072 651411659 /nfs/dbraw/zinc/41/16/59/651411659.db2.gz MFXOALFNPSORJL-WMLDXEAASA-N 2 1 289.423 2.407 20 0 CEADMP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cn1 ZINC000880259557 651411900 /nfs/dbraw/zinc/41/19/00/651411900.db2.gz WDSVMEXFUFJNHR-HNNXBMFYSA-N 2 1 282.391 2.496 20 0 CEADMP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cn1 ZINC000880259557 651411901 /nfs/dbraw/zinc/41/19/01/651411901.db2.gz WDSVMEXFUFJNHR-HNNXBMFYSA-N 2 1 282.391 2.496 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@]1(C)c1ccccc1)C1CC1 ZINC000880371821 651431400 /nfs/dbraw/zinc/43/14/00/651431400.db2.gz OBBBWZLZQHEDFU-ZWKOTPCHSA-N 2 1 288.435 2.453 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@]1(C)c1ccccc1)C1CC1 ZINC000880371821 651431402 /nfs/dbraw/zinc/43/14/02/651431402.db2.gz OBBBWZLZQHEDFU-ZWKOTPCHSA-N 2 1 288.435 2.453 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@]1(C)c1ccccc1)C1CC1 ZINC000880371821 651431405 /nfs/dbraw/zinc/43/14/05/651431405.db2.gz OBBBWZLZQHEDFU-ZWKOTPCHSA-N 2 1 288.435 2.453 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@]1(C)c1ccccc1)C1CC1 ZINC000880371821 651431407 /nfs/dbraw/zinc/43/14/07/651431407.db2.gz OBBBWZLZQHEDFU-ZWKOTPCHSA-N 2 1 288.435 2.453 20 0 CEADMP CC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000880471719 651446801 /nfs/dbraw/zinc/44/68/01/651446801.db2.gz YYUBUFKHMPAVMF-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP C[C@@H]1CC[C@H](C[NH+]2CCC(C)([NH+]3CCC3)CC2)O1 ZINC000880473644 651447051 /nfs/dbraw/zinc/44/70/51/651447051.db2.gz LATMKSZGXWYGLW-ZIAGYGMSSA-N 2 1 252.402 2.114 20 0 CEADMP CC1([NH+]2CCC2)CC[NH+](Cc2cccc(N)c2)CC1 ZINC000880474389 651447067 /nfs/dbraw/zinc/44/70/67/651447067.db2.gz HTWLMWPCORFCBD-UHFFFAOYSA-N 2 1 259.397 2.329 20 0 CEADMP Cc1c(Cl)nnc(NCC[N@@H+](C)CCC[NH+](C)C)c1C ZINC000882601513 652153726 /nfs/dbraw/zinc/15/37/26/652153726.db2.gz QYKUUTNFRIVASB-UHFFFAOYSA-N 2 1 299.850 2.042 20 0 CEADMP Cc1c(Cl)nnc(NCC[N@H+](C)CCC[NH+](C)C)c1C ZINC000882601513 652153736 /nfs/dbraw/zinc/15/37/36/652153736.db2.gz QYKUUTNFRIVASB-UHFFFAOYSA-N 2 1 299.850 2.042 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000883145036 652378194 /nfs/dbraw/zinc/37/81/94/652378194.db2.gz KKUQYRCFVQLVFK-LBPRGKRZSA-N 2 1 290.363 2.208 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCC2(CCOCC2)CO1 ZINC000883418459 652462585 /nfs/dbraw/zinc/46/25/85/652462585.db2.gz IYKXZTTXMDKCLM-HZPDHXFCSA-N 2 1 298.471 2.267 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883418460 652462844 /nfs/dbraw/zinc/46/28/44/652462844.db2.gz IYKXZTTXMDKCLM-JKSUJKDBSA-N 2 1 298.471 2.267 20 0 CEADMP C=C/C=C\CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000883434946 652469053 /nfs/dbraw/zinc/46/90/53/652469053.db2.gz FUKTZSWDVXBMPB-DOALTHTJSA-N 2 1 264.413 2.480 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)o1 ZINC000883435643 652469062 /nfs/dbraw/zinc/46/90/62/652469062.db2.gz YMJCSVCRKAMBSC-KFWWJZLASA-N 2 1 293.411 2.152 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883437698 652469757 /nfs/dbraw/zinc/46/97/57/652469757.db2.gz YNXOLYNWAQKFHN-IRXDYDNUSA-N 2 1 292.423 2.075 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CCC2(CCOCC2)CO1 ZINC000883441039 652471608 /nfs/dbraw/zinc/47/16/08/652471608.db2.gz GFVKYCKYNASCFO-MRXNPFEDSA-N 2 1 298.471 2.413 20 0 CEADMP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H](F)CN2)C1)C1CCCC1 ZINC000883441092 652471629 /nfs/dbraw/zinc/47/16/29/652471629.db2.gz HBZLLVKMFZGQGB-QSPRXWTASA-N 2 1 297.462 2.306 20 0 CEADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H](F)CN2)C1)C1CCCC1 ZINC000883441092 652471634 /nfs/dbraw/zinc/47/16/34/652471634.db2.gz HBZLLVKMFZGQGB-QSPRXWTASA-N 2 1 297.462 2.306 20 0 CEADMP Cc1nn(C)c(Cl)c1CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000133402849 652626479 /nfs/dbraw/zinc/62/64/79/652626479.db2.gz RHVXFDBBJBNQNX-GFCCVEGCSA-N 2 1 284.835 2.202 20 0 CEADMP CC(C)c1[nH+]ccn1CCNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884195835 652748888 /nfs/dbraw/zinc/74/88/88/652748888.db2.gz AOHVDHJPBHWZHL-CYBMUJFWSA-N 2 1 294.443 2.132 20 0 CEADMP CCOC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167996138 805603701 /nfs/dbraw/zinc/60/37/01/805603701.db2.gz XGCZIRAOPPRQIC-XYPWUTKMSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167996138 805603705 /nfs/dbraw/zinc/60/37/05/805603705.db2.gz XGCZIRAOPPRQIC-XYPWUTKMSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167996138 805603710 /nfs/dbraw/zinc/60/37/10/805603710.db2.gz XGCZIRAOPPRQIC-XYPWUTKMSA-N 2 1 294.439 2.277 20 0 CEADMP CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001088280117 806081849 /nfs/dbraw/zinc/08/18/49/806081849.db2.gz JFQUBKAAHNHRNT-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)[C@H](C)C1 ZINC001168103338 806167416 /nfs/dbraw/zinc/16/74/16/806167416.db2.gz IWIPRSDSQMWGHN-TUVASFSCSA-N 2 1 254.418 2.262 20 0 CEADMP CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001088431354 806208397 /nfs/dbraw/zinc/20/83/97/806208397.db2.gz RFEBZASLMAOEBW-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP COc1ccc2c(c1)C[C@H]([N@@H+](C)CCC[NH+](C)C)C2 ZINC001168259104 806449736 /nfs/dbraw/zinc/44/97/36/806449736.db2.gz JEAKJQQYDOUZLD-OAHLLOKOSA-N 2 1 262.397 2.046 20 0 CEADMP CCCCC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001272178808 806570231 /nfs/dbraw/zinc/57/02/31/806570231.db2.gz QQYBIDXPAWDYNI-HZPDHXFCSA-N 2 1 297.487 2.440 20 0 CEADMP C[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCC[C@@]1(C)O ZINC001168313993 806645540 /nfs/dbraw/zinc/64/55/40/806645540.db2.gz HYUSMICJXDXCIX-PRLABOORSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C)C1CCC([N@@H+]2Cc3ccccc3C[C@H]2CN)CC1 ZINC001168312354 806646109 /nfs/dbraw/zinc/64/61/09/806646109.db2.gz RKPDGKJGYGWWLB-ABHNRTSZSA-N 2 1 287.451 2.245 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2Cc3ccccc3C[C@H]2CN)CC1 ZINC001168312354 806646113 /nfs/dbraw/zinc/64/61/13/806646113.db2.gz RKPDGKJGYGWWLB-ABHNRTSZSA-N 2 1 287.451 2.245 20 0 CEADMP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168327006 806657272 /nfs/dbraw/zinc/65/72/72/806657272.db2.gz IMSZLDVJVZFDMH-SXDHFHGXSA-N 2 1 294.439 2.133 20 0 CEADMP CC(C)[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCO1 ZINC001168329208 806658750 /nfs/dbraw/zinc/65/87/50/806658750.db2.gz PWWLLEHRPHECMV-YMAMQOFZSA-N 2 1 254.418 2.216 20 0 CEADMP [NH3+]CCC1CCC([NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC001168366118 806788076 /nfs/dbraw/zinc/78/80/76/806788076.db2.gz KNPXZNKMEKNZMU-UHFFFAOYSA-N 2 1 279.472 2.358 20 0 CEADMP Cc1cccc([C@@H](CO)[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168368602 806900574 /nfs/dbraw/zinc/90/05/74/806900574.db2.gz MIIDDQJRXKAUNV-GOSISDBHSA-N 2 1 288.435 2.492 20 0 CEADMP C[NH2+]Cc1cn(-c2cc[nH+]c(N)n2)c2ccc(C)cc12 ZINC001167123273 802511121 /nfs/dbraw/zinc/51/11/21/802511121.db2.gz JMILKTRFOYINQV-UHFFFAOYSA-N 2 1 267.336 2.031 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC[C@@H]1C[NH3+] ZINC000721439520 802650439 /nfs/dbraw/zinc/65/04/39/802650439.db2.gz ATCLSGLTNOBINN-WYUUTHIRSA-N 2 1 280.334 2.013 20 0 CEADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCNC[C@H](O)C1 ZINC001210473237 802690150 /nfs/dbraw/zinc/69/01/50/802690150.db2.gz CAMYBRKNXRXVNO-KRWDZBQOSA-N 2 1 296.414 2.428 20 0 CEADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCNC[C@H](O)C1 ZINC001210473237 802690152 /nfs/dbraw/zinc/69/01/52/802690152.db2.gz CAMYBRKNXRXVNO-KRWDZBQOSA-N 2 1 296.414 2.428 20 0 CEADMP Cn1c(Cl)cnc1C[N@@H+](C)CCCCCC[NH3+] ZINC000710757952 809991990 /nfs/dbraw/zinc/99/19/90/809991990.db2.gz IEEKFDWZBRFDFS-UHFFFAOYSA-N 2 1 258.797 2.024 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)CC1 ZINC000397714944 802699851 /nfs/dbraw/zinc/69/98/51/802699851.db2.gz FYQNXGGOPIDBNC-AWEZNQCLSA-N 2 1 299.459 2.365 20 0 CEADMP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266593482 802751354 /nfs/dbraw/zinc/75/13/54/802751354.db2.gz LJCRHTKEJACKGB-KLHDSHLOSA-N 2 1 295.471 2.144 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000723676603 802924131 /nfs/dbraw/zinc/92/41/31/802924131.db2.gz NWJJGOMHZVXESY-GFCCVEGCSA-N 2 1 268.788 2.390 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723696658 802925961 /nfs/dbraw/zinc/92/59/61/802925961.db2.gz XBVIPHQAWRDHMJ-HNNXBMFYSA-N 2 1 283.460 2.086 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC(C)(C)CO2)C[C@H]1CC[NH3+] ZINC000723895186 802965988 /nfs/dbraw/zinc/96/59/88/802965988.db2.gz SCMQISYNIZPURG-MGPQQGTHSA-N 2 1 254.418 2.108 20 0 CEADMP Cc1ccc2nc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cn2c1 ZINC000723903203 802966728 /nfs/dbraw/zinc/96/67/28/802966728.db2.gz UJEPGKNKAXLWAR-ZIAGYGMSSA-N 2 1 272.396 2.059 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC[N@@H+]1C ZINC000723999950 802992129 /nfs/dbraw/zinc/99/21/29/802992129.db2.gz PMZKPHSZHJOEJK-DTZQCDIJSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC[N@H+]1C ZINC000723999950 802992135 /nfs/dbraw/zinc/99/21/35/802992135.db2.gz PMZKPHSZHJOEJK-DTZQCDIJSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC[N@@H+]1C ZINC000723999953 802992155 /nfs/dbraw/zinc/99/21/55/802992155.db2.gz PMZKPHSZHJOEJK-SLBVQIDZSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC[N@H+]1C ZINC000723999953 802992163 /nfs/dbraw/zinc/99/21/63/802992163.db2.gz PMZKPHSZHJOEJK-SLBVQIDZSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1CCC(C)(C)C ZINC001132278500 812819965 /nfs/dbraw/zinc/81/99/65/812819965.db2.gz POXNATFGSNDAKN-CABCVRRESA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC1CCCCCC1 ZINC001133819527 813159040 /nfs/dbraw/zinc/15/90/40/813159040.db2.gz FMSMSTHWDHAUIX-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896863 813173794 /nfs/dbraw/zinc/17/37/94/813173794.db2.gz SLACBFJDXDRKMU-OAHLLOKOSA-N 2 1 297.487 2.106 20 0 CEADMP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001087212952 803155267 /nfs/dbraw/zinc/15/52/67/803155267.db2.gz XPEUPLOAVQXYGK-OAGGEKHMSA-N 2 1 295.471 2.096 20 0 CEADMP COc1[nH+]ccc(N2C(C)(C)CC([NH3+])CC2(C)C)c1N ZINC001167625364 803213936 /nfs/dbraw/zinc/21/39/36/803213936.db2.gz WHXZGYZAYFLQDC-UHFFFAOYSA-N 2 1 278.400 2.157 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCC1CC1 ZINC001167627163 803216567 /nfs/dbraw/zinc/21/65/67/803216567.db2.gz KYTQEOPDWMBSNZ-MRXNPFEDSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167633430 803222749 /nfs/dbraw/zinc/22/27/49/803222749.db2.gz CJYJCSWUDVWIEY-HNNXBMFYSA-N 2 1 283.460 2.001 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001167641220 803228827 /nfs/dbraw/zinc/22/88/27/803228827.db2.gz WKBUPWUZISFUAZ-UHFFFAOYSA-N 2 1 295.471 2.004 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](C2CCC(F)(F)CC2)CC[C@H]1F ZINC001246584283 814163870 /nfs/dbraw/zinc/16/38/70/814163870.db2.gz IXXHFPYLKRZJGE-GHMZBOCLSA-N 2 1 250.308 2.326 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](C2CCC(F)(F)CC2)CC[C@H]1F ZINC001246584283 814163876 /nfs/dbraw/zinc/16/38/76/814163876.db2.gz IXXHFPYLKRZJGE-GHMZBOCLSA-N 2 1 250.308 2.326 20 0 CEADMP C[C@H]([NH2+]CCC1SCCS1)[C@@H]1CCCC[NH2+]1 ZINC000693804308 803323659 /nfs/dbraw/zinc/32/36/59/803323659.db2.gz JHKRJWSRVGGNCL-QWRGUYRKSA-N 2 1 260.472 2.303 20 0 CEADMP COc1ccc(OCC[N@@H+]2CC[NH2+]CCC2(C)C)cc1 ZINC000712577254 814767818 /nfs/dbraw/zinc/76/78/18/814767818.db2.gz OWQXPNQIMVBMOW-UHFFFAOYSA-N 2 1 278.396 2.148 20 0 CEADMP COc1ccc(OCC[N@H+]2CC[NH2+]CCC2(C)C)cc1 ZINC000712577254 814767819 /nfs/dbraw/zinc/76/78/19/814767819.db2.gz OWQXPNQIMVBMOW-UHFFFAOYSA-N 2 1 278.396 2.148 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CCCC1 ZINC001267474027 803499042 /nfs/dbraw/zinc/49/90/42/803499042.db2.gz NOGVXNPDGCJZQG-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1nc(-c2ccc(NC(=[NH2+])SCC[NH3+])cc2)no1 ZINC001167913738 803504028 /nfs/dbraw/zinc/50/40/28/803504028.db2.gz DCMCWFOBBOZBAC-UHFFFAOYSA-N 2 1 277.353 2.084 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc([Si](C)(C)C)cc2)C[C@H]1C[NH3+] ZINC000708875413 803588877 /nfs/dbraw/zinc/58/88/77/803588877.db2.gz MQXQJHOACNFIFG-DZGCQCFKSA-N 2 1 276.500 2.258 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCCCC1 ZINC000695071351 803608572 /nfs/dbraw/zinc/60/85/72/803608572.db2.gz LJOWRSVWEZWLKG-ROIMOXLHSA-N 2 1 278.440 2.168 20 0 CEADMP CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207438038 803611275 /nfs/dbraw/zinc/61/12/75/803611275.db2.gz RWYQLZYPLYWZNC-CQSZACIVSA-N 2 1 282.428 2.182 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(C)C)C1 ZINC001104939459 803727104 /nfs/dbraw/zinc/72/71/04/803727104.db2.gz QMWDAEJRWGWLKK-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC1=CCCCC1 ZINC001267800495 803741900 /nfs/dbraw/zinc/74/19/00/803741900.db2.gz OXKOBLWXMDRNTQ-CVEARBPZSA-N 2 1 293.455 2.065 20 0 CEADMP CCCC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1 ZINC001267841558 803769499 /nfs/dbraw/zinc/76/94/99/803769499.db2.gz TWPNEUISNZMMGB-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP COC(=O)[C@H](C)C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222154918 803809858 /nfs/dbraw/zinc/80/98/58/803809858.db2.gz SSGCZXGDCODTAO-ZBFHGGJFSA-N 2 1 282.428 2.041 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000299983898 803926847 /nfs/dbraw/zinc/92/68/47/803926847.db2.gz HKNGQKLCNYULMF-UONOGXRCSA-N 2 1 252.402 2.149 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001027545802 804116163 /nfs/dbraw/zinc/11/61/63/804116163.db2.gz GKOCWBRHOFBASI-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001027545802 804116167 /nfs/dbraw/zinc/11/61/67/804116167.db2.gz GKOCWBRHOFBASI-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001027545802 804116173 /nfs/dbraw/zinc/11/61/73/804116173.db2.gz GKOCWBRHOFBASI-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP COc1ccc(C2CC2)cc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000925738547 804160306 /nfs/dbraw/zinc/16/03/06/804160306.db2.gz YNZRJPCAZJNLQN-NSHDSACASA-N 2 1 260.381 2.270 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C(C)C ZINC001027985693 804383048 /nfs/dbraw/zinc/38/30/48/804383048.db2.gz NEDDYKOJPVPAEX-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC001167834186 804415025 /nfs/dbraw/zinc/41/50/25/804415025.db2.gz ITAVOSYMOUCIAV-ZNMIVQPWSA-N 2 1 284.444 2.238 20 0 CEADMP CCN1C[C@H]2C[NH+]([C@@H](C)CCC[NH+](CC)CC)C[C@@H]2C1 ZINC001167835902 804428113 /nfs/dbraw/zinc/42/81/13/804428113.db2.gz VVIYSLQQARYOBI-ULQDDVLXSA-N 2 1 281.488 2.380 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](C(C)=O)C1 ZINC001167840647 804441322 /nfs/dbraw/zinc/44/13/22/804441322.db2.gz GVXPPGIWIOSTRH-UKRRQHHQSA-N 2 1 254.418 2.408 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000722400876 804453024 /nfs/dbraw/zinc/45/30/24/804453024.db2.gz ZNYKLFSMYYGBRG-NTWDBFDFSA-N 2 1 292.345 2.441 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000722400876 804453027 /nfs/dbraw/zinc/45/30/27/804453027.db2.gz ZNYKLFSMYYGBRG-NTWDBFDFSA-N 2 1 292.345 2.441 20 0 CEADMP CCN(CC[NH2+]CC1CCC1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001268499699 804770450 /nfs/dbraw/zinc/77/04/50/804770450.db2.gz PLZJPUYHVCPSIZ-GASCZTMLSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001268555841 804819719 /nfs/dbraw/zinc/81/97/19/804819719.db2.gz LKBPYFANDPJMRS-OGZRUICASA-N 2 1 295.471 2.169 20 0 CEADMP C[NH+]1CCC([NH2+]CCc2ccc(Br)cn2)CC1 ZINC000709961101 804831303 /nfs/dbraw/zinc/83/13/03/804831303.db2.gz BVBZMOFCZZEZGT-UHFFFAOYSA-N 2 1 298.228 2.070 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CC[NH+](CC2CC2)CC1 ZINC001168380847 807026613 /nfs/dbraw/zinc/02/66/13/807026613.db2.gz USSQINKBCLWVHR-UHFFFAOYSA-N 3 1 279.472 2.134 20 0 CEADMP C[N@H+](CC1CC[NH+](C)CC1)C1CCN(CC2CC2)CC1 ZINC001168380847 807026625 /nfs/dbraw/zinc/02/66/25/807026625.db2.gz USSQINKBCLWVHR-UHFFFAOYSA-N 2 1 279.472 2.134 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CCN(CC2CC2)CC1 ZINC001168380847 807026632 /nfs/dbraw/zinc/02/66/32/807026632.db2.gz USSQINKBCLWVHR-UHFFFAOYSA-N 2 1 279.472 2.134 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CCCC(C)C)CC[N@H+]1C ZINC001268687146 804928671 /nfs/dbraw/zinc/92/86/71/804928671.db2.gz YWEIDXIDCIYHBL-HRCADAONSA-N 2 1 297.487 2.247 20 0 CEADMP CCC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268868238 804990547 /nfs/dbraw/zinc/99/05/47/804990547.db2.gz DCKZXJCUERRDPT-OAHLLOKOSA-N 2 1 283.460 2.097 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000710386173 804997318 /nfs/dbraw/zinc/99/73/18/804997318.db2.gz OMYBYXUSGAMBJC-UONOGXRCSA-N 2 1 297.443 2.070 20 0 CEADMP CCC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001269269183 805105845 /nfs/dbraw/zinc/10/58/45/805105845.db2.gz VGQVXLWNKOOMCL-PTZVLDCSSA-N 2 1 295.471 2.217 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167958168 805284830 /nfs/dbraw/zinc/28/48/30/805284830.db2.gz CVAUMXSVKPUAAV-FBVQUNGASA-N 2 1 291.483 2.466 20 0 CEADMP CC[NH+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167958168 805284836 /nfs/dbraw/zinc/28/48/36/805284836.db2.gz CVAUMXSVKPUAAV-FBVQUNGASA-N 2 1 291.483 2.466 20 0 CEADMP CC[NH+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958168 805284845 /nfs/dbraw/zinc/28/48/45/805284845.db2.gz CVAUMXSVKPUAAV-FBVQUNGASA-N 2 1 291.483 2.466 20 0 CEADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccco1 ZINC001167958038 805285457 /nfs/dbraw/zinc/28/54/57/805285457.db2.gz BJBJNRKNFMPNEY-UYTSQGDYSA-N 2 1 290.407 2.308 20 0 CEADMP COC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964836 805455207 /nfs/dbraw/zinc/45/52/07/805455207.db2.gz YPODWGAUBUFMJK-GOOCMWNKSA-N 2 1 266.429 2.406 20 0 CEADMP c1cnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001167966673 805484622 /nfs/dbraw/zinc/48/46/22/805484622.db2.gz YRTSIYDTAXFOJS-ALOPSCKCSA-N 2 1 286.423 2.014 20 0 CEADMP C[C@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971573 805499524 /nfs/dbraw/zinc/49/95/24/805499524.db2.gz YZHUHKIHLXXNRD-CJFPBWAHSA-N 2 1 278.440 2.406 20 0 CEADMP O[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@H]1F ZINC001167983316 805520752 /nfs/dbraw/zinc/52/07/52/805520752.db2.gz FQUWLAWBQGMXKF-PFUJJPPESA-N 2 1 296.430 2.187 20 0 CEADMP O[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@H]1F ZINC001167983316 805520756 /nfs/dbraw/zinc/52/07/56/805520756.db2.gz FQUWLAWBQGMXKF-PFUJJPPESA-N 2 1 296.430 2.187 20 0 CEADMP O[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@H]1F ZINC001167983316 805520760 /nfs/dbraw/zinc/52/07/60/805520760.db2.gz FQUWLAWBQGMXKF-PFUJJPPESA-N 2 1 296.430 2.187 20 0 CEADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@@H]1O ZINC001167984708 805537090 /nfs/dbraw/zinc/53/70/90/805537090.db2.gz PVSRFWIKXGHJSK-UXRNWYHQSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@@H]1O ZINC001167984708 805537093 /nfs/dbraw/zinc/53/70/93/805537093.db2.gz PVSRFWIKXGHJSK-UXRNWYHQSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@@H]1O ZINC001167984708 805537095 /nfs/dbraw/zinc/53/70/95/805537095.db2.gz PVSRFWIKXGHJSK-UXRNWYHQSA-N 2 1 292.467 2.485 20 0 CEADMP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030026249 807003967 /nfs/dbraw/zinc/00/39/67/807003967.db2.gz RFGAGSMIVWUYGO-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030026249 807003975 /nfs/dbraw/zinc/00/39/75/807003975.db2.gz RFGAGSMIVWUYGO-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030026249 807003981 /nfs/dbraw/zinc/00/39/81/807003981.db2.gz RFGAGSMIVWUYGO-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030026249 807003987 /nfs/dbraw/zinc/00/39/87/807003987.db2.gz RFGAGSMIVWUYGO-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168391048 807056693 /nfs/dbraw/zinc/05/66/93/807056693.db2.gz KPWFOPOZJANWOZ-OAHLLOKOSA-N 2 1 294.439 2.136 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC(C)(C)C)C1 ZINC001030302222 807140344 /nfs/dbraw/zinc/14/03/44/807140344.db2.gz XXZZODGNOMLVSQ-HNNXBMFYSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC(C)(C)C)C1 ZINC001030302222 807140349 /nfs/dbraw/zinc/14/03/49/807140349.db2.gz XXZZODGNOMLVSQ-HNNXBMFYSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229091170 807235818 /nfs/dbraw/zinc/23/58/18/807235818.db2.gz MRCCMUMEANLDOG-HIFRSBDPSA-N 2 1 262.397 2.291 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2cc(F)ccc2C1 ZINC001168415085 807244493 /nfs/dbraw/zinc/24/44/93/807244493.db2.gz LVPSVFCFMVZORH-NHYWBVRUSA-N 2 1 250.361 2.210 20 0 CEADMP COc1ccc(CC[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000094024769 807289799 /nfs/dbraw/zinc/28/97/99/807289799.db2.gz JUJNTEAOUDCXEI-UHFFFAOYSA-N 2 1 262.397 2.169 20 0 CEADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000716302801 815112352 /nfs/dbraw/zinc/11/23/52/815112352.db2.gz QXBLYHNOOPAHGL-RBSFLKMASA-N 2 1 264.413 2.020 20 0 CEADMP CC(C)(C)CC[NH+]1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001030784752 807379172 /nfs/dbraw/zinc/37/91/72/807379172.db2.gz YMAYGGWRDDYQOD-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256877 807536845 /nfs/dbraw/zinc/53/68/45/807536845.db2.gz SWRAPJAPTJTKLV-JKSUJKDBSA-N 2 1 295.471 2.003 20 0 CEADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2CCC(C)(C)C)C1=O ZINC001272496478 807548572 /nfs/dbraw/zinc/54/85/72/807548572.db2.gz ZKHABXIQDBNNIY-KRWDZBQOSA-N 2 1 295.471 2.051 20 0 CEADMP COc1ccc(CCC[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205093840 807572596 /nfs/dbraw/zinc/57/25/96/807572596.db2.gz GKLHEXZRRXYJTB-HNNXBMFYSA-N 2 1 262.397 2.441 20 0 CEADMP [NH3+][C@@H]1CCC[N@H+](CCc2cc(F)cc(F)c2)CC1 ZINC001205094666 807581575 /nfs/dbraw/zinc/58/15/75/807581575.db2.gz NTVQGJKBTQLSDG-CQSZACIVSA-N 2 1 254.324 2.321 20 0 CEADMP [NH3+][C@@H]1CCC[N@@H+](CCc2cc(F)cc(F)c2)CC1 ZINC001205094666 807581578 /nfs/dbraw/zinc/58/15/78/807581578.db2.gz NTVQGJKBTQLSDG-CQSZACIVSA-N 2 1 254.324 2.321 20 0 CEADMP CC(C)CC[NH+]1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001031049297 807620360 /nfs/dbraw/zinc/62/03/60/807620360.db2.gz AMBZSNAFXQHKBI-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ncc(C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000699264015 807665470 /nfs/dbraw/zinc/66/54/70/807665470.db2.gz NIHCXDRYHUYRGD-YHWZYXNKSA-N 2 1 265.426 2.414 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC2(C1)CCOCC2 ZINC000699302951 807675451 /nfs/dbraw/zinc/67/54/51/807675451.db2.gz WYHLYFPISDEIDA-GOOCMWNKSA-N 2 1 264.413 2.020 20 0 CEADMP c1cc2c(c(C[NH2+]CCCN3CCC3)n1)CCCC2 ZINC001119613477 815139770 /nfs/dbraw/zinc/13/97/70/815139770.db2.gz JFZGWNYATRPNMH-UHFFFAOYSA-N 2 1 259.397 2.146 20 0 CEADMP CSc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205116882 807702734 /nfs/dbraw/zinc/70/27/34/807702734.db2.gz IMOYZJFDJWFTKX-LBPRGKRZSA-N 2 1 251.399 2.117 20 0 CEADMP CSc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205116882 807702737 /nfs/dbraw/zinc/70/27/37/807702737.db2.gz IMOYZJFDJWFTKX-LBPRGKRZSA-N 2 1 251.399 2.117 20 0 CEADMP CC[C@@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716729540 815144384 /nfs/dbraw/zinc/14/43/84/815144384.db2.gz UGUOEPGJRZSBIZ-XLAORIBOSA-N 2 1 288.435 2.400 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(C)c1 ZINC001205140930 807788367 /nfs/dbraw/zinc/78/83/67/807788367.db2.gz SPORMEMSMKHCGI-UONOGXRCSA-N 2 1 262.397 2.339 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000125558616 807917420 /nfs/dbraw/zinc/91/74/20/807917420.db2.gz IVEZYSCPMLUHKO-CYBMUJFWSA-N 2 1 255.365 2.406 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CC)[C@H](C)C1 ZINC001106907969 808101672 /nfs/dbraw/zinc/10/16/72/808101672.db2.gz KHMXRDUMQGKLFN-BZUAXINKSA-N 2 1 297.487 2.058 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CC1CC1 ZINC001171586931 815192872 /nfs/dbraw/zinc/19/28/72/815192872.db2.gz WCFVLFBROOIMSQ-AWEZNQCLSA-N 2 1 297.487 2.391 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCC2CCCC2)CC[N@H+]1C ZINC001127707298 808363408 /nfs/dbraw/zinc/36/34/08/808363408.db2.gz ZKIHCDBDTIFIRT-JKSUJKDBSA-N 2 1 295.471 2.003 20 0 CEADMP C[NH+]1C(C)(C)CC([N@@H+]2C[C@H](F)C[C@H]2CO)CC1(C)C ZINC001171631003 815202356 /nfs/dbraw/zinc/20/23/56/815202356.db2.gz CYQMGIJSJIHACV-NEPJUHHUSA-N 2 1 272.408 2.043 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@H](F)C[C@H]2CO)CC1(C)C ZINC001171631003 815202359 /nfs/dbraw/zinc/20/23/59/815202359.db2.gz CYQMGIJSJIHACV-NEPJUHHUSA-N 2 1 272.408 2.043 20 0 CEADMP Cc1ccc(CC[C@H](C)[NH2+]CCC[N@@H+](C)CCO)cc1 ZINC001171664552 815210144 /nfs/dbraw/zinc/21/01/44/815210144.db2.gz CFXGTLYKXRJICY-INIZCTEOSA-N 2 1 278.440 2.220 20 0 CEADMP CCCC[C@H](CC)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210099 808557600 /nfs/dbraw/zinc/55/76/00/808557600.db2.gz MOZOYMIUTZTWJK-GJZGRUSLSA-N 2 1 256.434 2.379 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[C@H]([NH+](C)C)C2)C[N@H+]1Cc1ccccc1 ZINC001171743544 815222659 /nfs/dbraw/zinc/22/26/59/815222659.db2.gz BMTQPCFCQREDQM-BPQIPLTHSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[NH+]3CCC2CC3)C[N@H+]1Cc1ccccc1 ZINC001171760300 815227657 /nfs/dbraw/zinc/22/76/57/815227657.db2.gz SYDFNFPIPSUWQT-VQIMIIECSA-N 2 1 299.462 2.429 20 0 CEADMP C[N@@H+]1CCc2ccc(Nc3ccc[nH+]c3N)cc2C1 ZINC001212408847 808763794 /nfs/dbraw/zinc/76/37/94/808763794.db2.gz PAPBLRQKXKAQCK-UHFFFAOYSA-N 2 1 254.337 2.395 20 0 CEADMP C[N@H+]1CCc2ccc(Nc3ccc[nH+]c3N)cc2C1 ZINC001212408847 808763799 /nfs/dbraw/zinc/76/37/99/808763799.db2.gz PAPBLRQKXKAQCK-UHFFFAOYSA-N 2 1 254.337 2.395 20 0 CEADMP C[C@H](O)C[C@H]1CCCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000691351657 808872669 /nfs/dbraw/zinc/87/26/69/808872669.db2.gz RWGNLWHSCMUVET-GOEBONIOSA-N 2 1 268.445 2.344 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168684574 808961309 /nfs/dbraw/zinc/96/13/09/808961309.db2.gz KJNYRAYXEAVHPC-YPMHNXCESA-N 2 1 264.800 2.349 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C12CCC2 ZINC000453229028 809043024 /nfs/dbraw/zinc/04/30/24/809043024.db2.gz ZYTMJDAAJDXRLM-OWCLPIDISA-N 2 1 296.455 2.035 20 0 CEADMP CC1(C)C[C@H](n2nncc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171984926 815265631 /nfs/dbraw/zinc/26/56/31/815265631.db2.gz YTKAWDPLDBUHMN-OAHLLOKOSA-N 2 1 299.422 2.353 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033071206 809167116 /nfs/dbraw/zinc/16/71/16/809167116.db2.gz WYOZDRCCVNUQCO-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033071206 809167124 /nfs/dbraw/zinc/16/71/24/809167124.db2.gz WYOZDRCCVNUQCO-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033071206 809167132 /nfs/dbraw/zinc/16/71/32/809167132.db2.gz WYOZDRCCVNUQCO-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033069496 809168916 /nfs/dbraw/zinc/16/89/16/809168916.db2.gz JESHXKPJGUPFNI-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033069496 809168920 /nfs/dbraw/zinc/16/89/20/809168920.db2.gz JESHXKPJGUPFNI-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033069496 809168922 /nfs/dbraw/zinc/16/89/22/809168922.db2.gz JESHXKPJGUPFNI-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033069494 809169029 /nfs/dbraw/zinc/16/90/29/809169029.db2.gz JESHXKPJGUPFNI-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033069494 809169034 /nfs/dbraw/zinc/16/90/34/809169034.db2.gz JESHXKPJGUPFNI-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033069494 809169036 /nfs/dbraw/zinc/16/90/36/809169036.db2.gz JESHXKPJGUPFNI-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC(C)C)C1 ZINC001033127547 809195403 /nfs/dbraw/zinc/19/54/03/809195403.db2.gz VOTRMCWXOCLXMR-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001033127547 809195408 /nfs/dbraw/zinc/19/54/08/809195408.db2.gz VOTRMCWXOCLXMR-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033127547 809195411 /nfs/dbraw/zinc/19/54/11/809195411.db2.gz VOTRMCWXOCLXMR-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033145414 809200422 /nfs/dbraw/zinc/20/04/22/809200422.db2.gz HREWBOKGFJOAPF-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033145414 809200428 /nfs/dbraw/zinc/20/04/28/809200428.db2.gz HREWBOKGFJOAPF-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033145414 809200438 /nfs/dbraw/zinc/20/04/38/809200438.db2.gz HREWBOKGFJOAPF-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP COc1cncc(C[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000700047191 809276143 /nfs/dbraw/zinc/27/61/43/809276143.db2.gz HVPUCLBOGHIYMG-UHFFFAOYSA-N 2 1 277.412 2.302 20 0 CEADMP CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033467348 809311800 /nfs/dbraw/zinc/31/18/00/809311800.db2.gz NICVKADUPHGOBL-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCC[NH+]1CCCCC1)C2 ZINC001172101236 815281335 /nfs/dbraw/zinc/28/13/35/815281335.db2.gz XKMKRLGFNSTNSW-PHZGNYQRSA-N 2 1 265.445 2.077 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000700827884 809358109 /nfs/dbraw/zinc/35/81/09/809358109.db2.gz ZSJUKFHXFMQKCN-FRRDWIJNSA-N 2 1 294.361 2.418 20 0 CEADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)C ZINC001172099389 815283550 /nfs/dbraw/zinc/28/35/50/815283550.db2.gz KHQYKRCHZBWLQW-XQLPTFJDSA-N 2 1 254.418 2.262 20 0 CEADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001172099389 815283554 /nfs/dbraw/zinc/28/35/54/815283554.db2.gz KHQYKRCHZBWLQW-XQLPTFJDSA-N 2 1 254.418 2.262 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1C[C@@H]([NH3+])Cc3ccccc31)C2 ZINC001172100783 815284383 /nfs/dbraw/zinc/28/43/83/815284383.db2.gz TXCNIMPFUQVHKM-MWDXBVQZSA-N 2 1 285.435 2.392 20 0 CEADMP Cc1ncccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100940 815284804 /nfs/dbraw/zinc/28/48/04/815284804.db2.gz USTPYEKEOPJJBG-PHZGNYQRSA-N 2 1 259.397 2.495 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](CCO)C1)C2 ZINC001172125341 815285421 /nfs/dbraw/zinc/28/54/21/815285421.db2.gz PPKXBGSVFKEMPT-LVQVYYBASA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](CCO)C1)C2 ZINC001172125341 815285422 /nfs/dbraw/zinc/28/54/22/815285422.db2.gz PPKXBGSVFKEMPT-LVQVYYBASA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H](CCO)C1)C2 ZINC001172125341 815285426 /nfs/dbraw/zinc/28/54/26/815285426.db2.gz PPKXBGSVFKEMPT-LVQVYYBASA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](CCO)C1)C2 ZINC001172125341 815285430 /nfs/dbraw/zinc/28/54/30/815285430.db2.gz PPKXBGSVFKEMPT-LVQVYYBASA-N 2 1 266.429 2.096 20 0 CEADMP CC[NH+](CC)[C@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172126987 815286690 /nfs/dbraw/zinc/28/66/90/815286690.db2.gz FGZSRNBGTHRVMG-VVLHAWIVSA-N 2 1 279.472 2.418 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCC[NH+]1CCCCCC1)C2 ZINC001172103682 815294345 /nfs/dbraw/zinc/29/43/45/815294345.db2.gz WTJXDQWORVUCNP-OSYLJGHBSA-N 2 1 279.472 2.467 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@]1(C)CC[C@H](O)CC1)C2 ZINC001172111511 815300295 /nfs/dbraw/zinc/30/02/95/815300295.db2.gz VBYHVLRCHHXWML-LUNDOBRRSA-N 2 1 266.429 2.285 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@]1(C)CC[C@H](O)CC1)C2 ZINC001172111511 815300302 /nfs/dbraw/zinc/30/03/02/815300302.db2.gz VBYHVLRCHHXWML-LUNDOBRRSA-N 2 1 266.429 2.285 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCSCC1)C2 ZINC001172108488 815298236 /nfs/dbraw/zinc/29/82/36/815298236.db2.gz WWZGAESQRTXREM-BTTYYORXSA-N 2 1 254.443 2.487 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCSCC1)C2 ZINC001172108488 815298239 /nfs/dbraw/zinc/29/82/39/815298239.db2.gz WWZGAESQRTXREM-BTTYYORXSA-N 2 1 254.443 2.487 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccnc1F)C2 ZINC001172108174 815299085 /nfs/dbraw/zinc/29/90/85/815299085.db2.gz QXBMWWAXTQVRJO-ZSOGYDGISA-N 2 1 263.360 2.326 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccnc1F)C2 ZINC001172108174 815299089 /nfs/dbraw/zinc/29/90/89/815299089.db2.gz QXBMWWAXTQVRJO-ZSOGYDGISA-N 2 1 263.360 2.326 20 0 CEADMP CC(C)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)N(C)C ZINC001172110409 815300784 /nfs/dbraw/zinc/30/07/84/815300784.db2.gz MNESIWBDJLKIMA-FZKCQIBNSA-N 2 1 295.471 2.094 20 0 CEADMP COC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172112681 815301009 /nfs/dbraw/zinc/30/10/09/815301009.db2.gz ZFZGRSXIBZTPAX-XGUBFFRZSA-N 2 1 252.402 2.016 20 0 CEADMP COC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172112681 815301011 /nfs/dbraw/zinc/30/10/11/815301011.db2.gz ZFZGRSXIBZTPAX-XGUBFFRZSA-N 2 1 252.402 2.016 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCCC[NH+](CC)C2)C1 ZINC001034367757 809587675 /nfs/dbraw/zinc/58/76/75/809587675.db2.gz HQVDWHCIJNSQFP-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC)C2)C1 ZINC001034367757 809587685 /nfs/dbraw/zinc/58/76/85/809587685.db2.gz HQVDWHCIJNSQFP-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC)C2)C1 ZINC001034367757 809587687 /nfs/dbraw/zinc/58/76/87/809587687.db2.gz HQVDWHCIJNSQFP-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)C2 ZINC001172111817 815301267 /nfs/dbraw/zinc/30/12/67/815301267.db2.gz WNCKNIUHPKADGX-FJIDUMEYSA-N 2 1 288.435 2.367 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397782 809600557 /nfs/dbraw/zinc/60/05/57/809600557.db2.gz LLBJNQFIQOTWHX-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034397782 809600562 /nfs/dbraw/zinc/60/05/62/809600562.db2.gz LLBJNQFIQOTWHX-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034397782 809600565 /nfs/dbraw/zinc/60/05/65/809600565.db2.gz LLBJNQFIQOTWHX-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP COC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172114263 815302259 /nfs/dbraw/zinc/30/22/59/815302259.db2.gz PRYNIGYRVULETM-WDNDVIMCSA-N 2 1 252.402 2.113 20 0 CEADMP COC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172114263 815302265 /nfs/dbraw/zinc/30/22/65/815302265.db2.gz PRYNIGYRVULETM-WDNDVIMCSA-N 2 1 252.402 2.113 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172114325 815302457 /nfs/dbraw/zinc/30/24/57/815302457.db2.gz QLKWRAIMSJSAPK-ZSHCYNCHSA-N 2 1 265.445 2.028 20 0 CEADMP CCOC(=O)C(C)(C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118237 815306947 /nfs/dbraw/zinc/30/69/47/815306947.db2.gz PRBXSEMAJJHHAJ-BTTYYORXSA-N 2 1 282.428 2.181 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+]3CCCC[C@@H]3C1)C2 ZINC001172122870 815312735 /nfs/dbraw/zinc/31/27/35/815312735.db2.gz UMFWIPLQDPTZJY-YYIAUSFCSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[N@@H+]3CCCC[C@@H]3C1)C2 ZINC001172122870 815312738 /nfs/dbraw/zinc/31/27/38/815312738.db2.gz UMFWIPLQDPTZJY-YYIAUSFCSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[N@H+]3CCCC[C@@H]3C1)C2 ZINC001172122870 815312746 /nfs/dbraw/zinc/31/27/46/815312746.db2.gz UMFWIPLQDPTZJY-YYIAUSFCSA-N 2 1 277.456 2.172 20 0 CEADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@@]1(C)O ZINC001172120059 815310851 /nfs/dbraw/zinc/31/08/51/815310851.db2.gz JJZWIIPMLPTYAO-UHDSXZAQSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@@]1(C)O ZINC001172120059 815310858 /nfs/dbraw/zinc/31/08/58/815310858.db2.gz JJZWIIPMLPTYAO-UHDSXZAQSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[C@@]1(C)O ZINC001172120059 815310863 /nfs/dbraw/zinc/31/08/63/815310863.db2.gz JJZWIIPMLPTYAO-UHDSXZAQSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[C@@]1(C)O ZINC001172120059 815310869 /nfs/dbraw/zinc/31/08/69/815310869.db2.gz JJZWIIPMLPTYAO-UHDSXZAQSA-N 2 1 280.456 2.485 20 0 CEADMP CC[N@H+](CCCC(=O)OC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121694 815313245 /nfs/dbraw/zinc/31/32/45/815313245.db2.gz SUFIKVBVXVDYHX-QDMKHBRRSA-N 2 1 282.428 2.277 20 0 CEADMP CC[N@@H+](CCCC(=O)OC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121694 815313252 /nfs/dbraw/zinc/31/32/52/815313252.db2.gz SUFIKVBVXVDYHX-QDMKHBRRSA-N 2 1 282.428 2.277 20 0 CEADMP CC[NH+](CCCC(=O)OC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121694 815313259 /nfs/dbraw/zinc/31/32/59/815313259.db2.gz SUFIKVBVXVDYHX-QDMKHBRRSA-N 2 1 282.428 2.277 20 0 CEADMP CC[NH+](CCCC(=O)OC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121694 815313263 /nfs/dbraw/zinc/31/32/63/815313263.db2.gz SUFIKVBVXVDYHX-QDMKHBRRSA-N 2 1 282.428 2.277 20 0 CEADMP CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035196722 809760624 /nfs/dbraw/zinc/76/06/24/809760624.db2.gz CFCZRELNJPTEQY-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCCC13COC3)C2 ZINC001172123514 815314461 /nfs/dbraw/zinc/31/44/61/815314461.db2.gz GPLHORBVCILENP-FICVDOATSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCCC13COC3)C2 ZINC001172123514 815314475 /nfs/dbraw/zinc/31/44/75/815314475.db2.gz GPLHORBVCILENP-FICVDOATSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCCC13COC3)C2 ZINC001172123514 815314479 /nfs/dbraw/zinc/31/44/79/815314479.db2.gz GPLHORBVCILENP-FICVDOATSA-N 2 1 264.413 2.257 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000708334804 809926314 /nfs/dbraw/zinc/92/63/14/809926314.db2.gz ALWVVVJGHDAXIB-SOUVJXGZSA-N 2 1 266.429 2.266 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC000708488583 809942697 /nfs/dbraw/zinc/94/26/97/809942697.db2.gz ZGGCBDQTSRSJCO-CQSZACIVSA-N 2 1 273.424 2.428 20 0 CEADMP O[C@@H](CC1CCCC1)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709851144 809972712 /nfs/dbraw/zinc/97/27/12/809972712.db2.gz XODVICVSBBSHJP-JKSUJKDBSA-N 2 1 266.429 2.003 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOCc1ccccc1)C2 ZINC000709862071 809972802 /nfs/dbraw/zinc/97/28/02/809972802.db2.gz NZLNFNOMVSTWJE-XHSDSOJGSA-N 2 1 260.381 2.015 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709869035 809974333 /nfs/dbraw/zinc/97/43/33/809974333.db2.gz SJJJIHKVBSCWSY-KLHDSHLOSA-N 2 1 264.413 2.020 20 0 CEADMP c1csc([C@H]2CC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)n1 ZINC000710469938 809989047 /nfs/dbraw/zinc/98/90/47/809989047.db2.gz ZUSBIAIMAHIYDP-STQMWFEESA-N 2 1 265.426 2.322 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CC(=O)Nc1cccc(F)c1 ZINC000710682785 809989553 /nfs/dbraw/zinc/98/95/53/809989553.db2.gz BUILAYAIMONJAT-UHFFFAOYSA-N 2 1 281.375 2.215 20 0 CEADMP Cc1ccc(O)c(C[N@@H+](C)CCCCCC[NH3+])n1 ZINC000710730896 809991431 /nfs/dbraw/zinc/99/14/31/809991431.db2.gz YECSJHIVEFFONU-UHFFFAOYSA-N 2 1 251.374 2.047 20 0 CEADMP Cn1c(Cl)cnc1C[N@H+](C)CCCCCC[NH3+] ZINC000710757952 809991988 /nfs/dbraw/zinc/99/19/88/809991988.db2.gz IEEKFDWZBRFDFS-UHFFFAOYSA-N 2 1 258.797 2.024 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC2(CCC2)O1 ZINC000711406559 810068285 /nfs/dbraw/zinc/06/82/85/810068285.db2.gz HYDHYJKAHMBQKO-ZNMIVQPWSA-N 2 1 264.413 2.305 20 0 CEADMP [NH3+]C1CC[NH+](Cc2ccccc2N2CCCC2)CC1 ZINC001118176574 810086181 /nfs/dbraw/zinc/08/61/81/810086181.db2.gz DISDNOORMFFULM-UHFFFAOYSA-N 2 1 259.397 2.210 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000923359165 810089048 /nfs/dbraw/zinc/08/90/48/810089048.db2.gz OFGIGHSOUSYKTO-OKZBNKHCSA-N 2 1 288.435 2.432 20 0 CEADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000923383727 810090461 /nfs/dbraw/zinc/09/04/61/810090461.db2.gz LZZJFRFZRANBHL-UKRRQHHQSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000923505959 810104460 /nfs/dbraw/zinc/10/44/60/810104460.db2.gz DPDIMCRSBMACGE-CABCVRRESA-N 2 1 289.423 2.159 20 0 CEADMP CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015499110 810298096 /nfs/dbraw/zinc/29/80/96/810298096.db2.gz NPPWCOGNEOCSTJ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP COCCC[NH+]1CCC([N@H+](C)CC2CC(F)(F)C2)CC1 ZINC001172256470 815361081 /nfs/dbraw/zinc/36/10/81/815361081.db2.gz YCSWZSBGKCDVPT-UHFFFAOYSA-N 2 1 290.398 2.464 20 0 CEADMP COCCC[NH+]1CCC([N@@H+](C)CC2CC(F)(F)C2)CC1 ZINC001172256470 815361087 /nfs/dbraw/zinc/36/10/87/815361087.db2.gz YCSWZSBGKCDVPT-UHFFFAOYSA-N 2 1 290.398 2.464 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015795178 810355067 /nfs/dbraw/zinc/35/50/67/810355067.db2.gz MIOKJUZAQOVNIA-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001082783365 810399303 /nfs/dbraw/zinc/39/93/03/810399303.db2.gz TYGLQHQEOFTEKH-OAGGEKHMSA-N 2 1 295.471 2.094 20 0 CEADMP C[C@@H]1CC[C@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)C[C@@H]1C ZINC001172363218 815403507 /nfs/dbraw/zinc/40/35/07/815403507.db2.gz DSMNUXMIAWFMRB-PMPSAXMXSA-N 3 1 269.477 2.414 20 0 CEADMP C[C@@H]1CC[C@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)C[C@@H]1C ZINC001172363218 815403510 /nfs/dbraw/zinc/40/35/10/815403510.db2.gz DSMNUXMIAWFMRB-PMPSAXMXSA-N 3 1 269.477 2.414 20 0 CEADMP c1ccc(CN2CC(C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000716282571 810926098 /nfs/dbraw/zinc/92/60/98/810926098.db2.gz WQCRVJFWFUINHA-UHFFFAOYSA-N 2 1 299.462 2.335 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC ZINC001038901876 810941723 /nfs/dbraw/zinc/94/17/23/810941723.db2.gz AQZVUXBQHVLPEQ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC ZINC001038901876 810941727 /nfs/dbraw/zinc/94/17/27/810941727.db2.gz AQZVUXBQHVLPEQ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC ZINC001038901876 810941732 /nfs/dbraw/zinc/94/17/32/810941732.db2.gz AQZVUXBQHVLPEQ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP c1c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC000724815052 811165993 /nfs/dbraw/zinc/16/59/93/811165993.db2.gz UYFWYBCSUCPLEM-RISCZKNCSA-N 2 1 278.421 2.005 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC[C@H]1CCCCO1)C2 ZINC001169092692 811363639 /nfs/dbraw/zinc/36/36/39/811363639.db2.gz CKRWVCZQUJURJO-LXTVHRRPSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccnc(Cl)c1)C2 ZINC001169080330 811377273 /nfs/dbraw/zinc/37/72/73/811377273.db2.gz MPGVYWOVSDYAJL-CLLJXQQHSA-N 2 1 265.788 2.450 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccnc(Cl)c1)C2 ZINC001169080330 811377284 /nfs/dbraw/zinc/37/72/84/811377284.db2.gz MPGVYWOVSDYAJL-CLLJXQQHSA-N 2 1 265.788 2.450 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169089332 811380497 /nfs/dbraw/zinc/38/04/97/811380497.db2.gz BLLIJGNUJYONHT-QKDCVEJESA-N 2 1 260.381 2.410 20 0 CEADMP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001043520347 811381429 /nfs/dbraw/zinc/38/14/29/811381429.db2.gz KFMWRDQWAQKIIP-CQSZACIVSA-N 2 1 295.471 2.050 20 0 CEADMP CN(C)c1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169092226 811385317 /nfs/dbraw/zinc/38/53/17/811385317.db2.gz AGPWYSXQTSJXAY-MUJYYYPQSA-N 2 1 273.424 2.467 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCc1ccncc1)C2 ZINC001169091438 811385443 /nfs/dbraw/zinc/38/54/43/811385443.db2.gz QZWDZQVQFWCLBU-MUJYYYPQSA-N 2 1 259.397 2.229 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(c3ccc(F)cn3)CC1)C2 ZINC001169118617 811386789 /nfs/dbraw/zinc/38/67/89/811386789.db2.gz MBRWBGTWJLQNMG-QDMKHBRRSA-N 2 1 289.398 2.467 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@]3(CCOC3)C1)C2 ZINC001169128333 811397132 /nfs/dbraw/zinc/39/71/32/811397132.db2.gz DBEXYJRCJNBAFT-FXUDXRNXSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@]3(CCOC3)C1)C2 ZINC001169128333 811397141 /nfs/dbraw/zinc/39/71/41/811397141.db2.gz DBEXYJRCJNBAFT-FXUDXRNXSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@]3(CCOC3)C1)C2 ZINC001169128333 811397152 /nfs/dbraw/zinc/39/71/52/811397152.db2.gz DBEXYJRCJNBAFT-FXUDXRNXSA-N 2 1 264.413 2.114 20 0 CEADMP CN(C)c1cc[nH+]c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001169135830 811399032 /nfs/dbraw/zinc/39/90/32/811399032.db2.gz DDRGAXIQSTZXNL-BLLLJJGKSA-N 2 1 291.443 2.498 20 0 CEADMP CN(C)c1nc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc[nH+]1 ZINC001169140993 811406151 /nfs/dbraw/zinc/40/61/51/811406151.db2.gz IFGYHTCRYWLSGY-LRDDRELGSA-N 2 1 291.443 2.498 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](c3cccnc3)C1)C2 ZINC001169141345 811409422 /nfs/dbraw/zinc/40/94/22/811409422.db2.gz PWBFPQDMKOVWHT-NCOADZHNSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](c3cccnc3)C1)C2 ZINC001169141345 811409426 /nfs/dbraw/zinc/40/94/26/811409426.db2.gz PWBFPQDMKOVWHT-NCOADZHNSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](c3cccnc3)C1)C2 ZINC001169141345 811409432 /nfs/dbraw/zinc/40/94/32/811409432.db2.gz PWBFPQDMKOVWHT-NCOADZHNSA-N 2 1 271.408 2.496 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(n3ccnc3)CC1)C2 ZINC001169147664 811412152 /nfs/dbraw/zinc/41/21/52/811412152.db2.gz VTHVHKSMEBVPNB-ZSHCYNCHSA-N 2 1 274.412 2.145 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3(C1)C[C@H](F)CS3)C2 ZINC001169156243 811417619 /nfs/dbraw/zinc/41/76/19/811417619.db2.gz WKNMVLSXCJNGQI-RVMXOQNASA-N 2 1 270.417 2.141 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3(C1)C[C@H](F)CS3)C2 ZINC001169156243 811417624 /nfs/dbraw/zinc/41/76/24/811417624.db2.gz WKNMVLSXCJNGQI-RVMXOQNASA-N 2 1 270.417 2.141 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c(N)cccc2F)CCC[C@@H]1C[NH3+] ZINC001206003851 811429267 /nfs/dbraw/zinc/42/92/67/811429267.db2.gz MYXNPBXWOOJTOK-NWDGAFQWSA-N 2 1 265.376 2.215 20 0 CEADMP CC[NH+]1CCC([NH2+]C2(CC(=O)OC)CCCCC2)CC1 ZINC001169233406 811447945 /nfs/dbraw/zinc/44/79/45/811447945.db2.gz PYNVUALNHWBGLA-UHFFFAOYSA-N 2 1 282.428 2.326 20 0 CEADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CC)CC2)[C@@H]1C ZINC001169265711 811453658 /nfs/dbraw/zinc/45/36/58/811453658.db2.gz QEKPCHQPPPCWDP-HIFRSBDPSA-N 2 1 282.428 2.134 20 0 CEADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC)CC2)[C@@H]1C ZINC001169265711 811453661 /nfs/dbraw/zinc/45/36/61/811453661.db2.gz QEKPCHQPPPCWDP-HIFRSBDPSA-N 2 1 282.428 2.134 20 0 CEADMP CCN1CCC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001169244481 811461053 /nfs/dbraw/zinc/46/10/53/811461053.db2.gz QUUVKPMVOKWNQZ-OAHLLOKOSA-N 2 1 267.461 2.312 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001169244481 811461059 /nfs/dbraw/zinc/46/10/59/811461059.db2.gz QUUVKPMVOKWNQZ-OAHLLOKOSA-N 3 1 267.461 2.312 20 0 CEADMP CC[NH+]1CCC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001169244481 811461063 /nfs/dbraw/zinc/46/10/63/811461063.db2.gz QUUVKPMVOKWNQZ-OAHLLOKOSA-N 3 1 267.461 2.312 20 0 CEADMP CC[NH+]1CCC([N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)CC1 ZINC001169255531 811466714 /nfs/dbraw/zinc/46/67/14/811466714.db2.gz QWSNWRLGUGDGHJ-KBMXLJTQSA-N 2 1 266.429 2.218 20 0 CEADMP CC[NH+]1CCC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)CC1 ZINC001169255531 811466717 /nfs/dbraw/zinc/46/67/17/811466717.db2.gz QWSNWRLGUGDGHJ-KBMXLJTQSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2scc3c2OCCO3)CCC[C@@H]1C[NH3+] ZINC001206011897 811512966 /nfs/dbraw/zinc/51/29/66/811512966.db2.gz GZRPLSOPNAXNRM-VXGBXAGGSA-N 2 1 296.436 2.326 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1N ZINC001206011796 811514083 /nfs/dbraw/zinc/51/40/83/811514083.db2.gz GOTHFIYAJPVIKZ-STQMWFEESA-N 2 1 277.412 2.084 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1OC ZINC001206165888 815459804 /nfs/dbraw/zinc/45/98/04/815459804.db2.gz PQXGNPNYVKTCCV-UONOGXRCSA-N 2 1 296.386 2.273 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1OC ZINC001206165888 815459806 /nfs/dbraw/zinc/45/98/06/815459806.db2.gz PQXGNPNYVKTCCV-UONOGXRCSA-N 2 1 296.386 2.273 20 0 CEADMP Cn1ccc2c1nc[nH+]c2NCC[C@@H]1CCC[N@H+](C)C1 ZINC001156377781 811664469 /nfs/dbraw/zinc/66/44/69/811664469.db2.gz FJLPJYLIYLZHJS-LBPRGKRZSA-N 2 1 273.384 2.112 20 0 CEADMP Cn1ccc2c1nc[nH+]c2NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001156377781 811664476 /nfs/dbraw/zinc/66/44/76/811664476.db2.gz FJLPJYLIYLZHJS-LBPRGKRZSA-N 2 1 273.384 2.112 20 0 CEADMP c1cn2cccc(NCC34CC[NH+](CC3)CC4)c2[nH+]1 ZINC001169795632 811674167 /nfs/dbraw/zinc/67/41/67/811674167.db2.gz QNGZNOKRJPXIKT-UHFFFAOYSA-N 2 1 256.353 2.232 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2ccnc3ccccc23)CC[C@H]1F ZINC001206166825 815469939 /nfs/dbraw/zinc/46/99/39/815469939.db2.gz VLRREOQWQNKJMT-CABCVRRESA-N 2 1 273.355 2.496 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccnc3ccccc23)CC[C@H]1F ZINC001206166825 815469942 /nfs/dbraw/zinc/46/99/42/815469942.db2.gz VLRREOQWQNKJMT-CABCVRRESA-N 2 1 273.355 2.496 20 0 CEADMP CC(C)=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046554364 811773082 /nfs/dbraw/zinc/77/30/82/811773082.db2.gz PECANYAIAXQVHT-DOTOQJQBSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046554364 811773088 /nfs/dbraw/zinc/77/30/88/811773088.db2.gz PECANYAIAXQVHT-DOTOQJQBSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046554364 811773095 /nfs/dbraw/zinc/77/30/95/811773095.db2.gz PECANYAIAXQVHT-DOTOQJQBSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046554364 811773100 /nfs/dbraw/zinc/77/31/00/811773100.db2.gz PECANYAIAXQVHT-DOTOQJQBSA-N 2 1 293.455 2.018 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCN3)CCC[C@H]1C[NH3+] ZINC001206026434 811793997 /nfs/dbraw/zinc/79/39/97/811793997.db2.gz SDCUOTSUSGHZEL-BBRMVZONSA-N 2 1 273.424 2.461 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](C3CC(C)(C)N(O)C(C)(C)C3)C2)C1 ZINC001170003983 811889995 /nfs/dbraw/zinc/88/99/95/811889995.db2.gz BCENYEJEGDOMTR-KRWDZBQOSA-N 2 1 295.471 2.425 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](C3CC(C)(C)N(O)C(C)(C)C3)C2)C1 ZINC001170003983 811890001 /nfs/dbraw/zinc/89/00/01/811890001.db2.gz BCENYEJEGDOMTR-KRWDZBQOSA-N 2 1 295.471 2.425 20 0 CEADMP Cn1ccc2cc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)ccc21 ZINC001206174772 815493322 /nfs/dbraw/zinc/49/33/22/815493322.db2.gz PJRZLGCOEMJDFK-GJZGRUSLSA-N 2 1 275.371 2.440 20 0 CEADMP Cn1ccc2cc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)ccc21 ZINC001206174772 815493324 /nfs/dbraw/zinc/49/33/24/815493324.db2.gz PJRZLGCOEMJDFK-GJZGRUSLSA-N 2 1 275.371 2.440 20 0 CEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206173102 815490324 /nfs/dbraw/zinc/49/03/24/815490324.db2.gz DVMBJHAEEFHXQA-ZIAGYGMSSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206173102 815490328 /nfs/dbraw/zinc/49/03/28/815490328.db2.gz DVMBJHAEEFHXQA-ZIAGYGMSSA-N 2 1 254.324 2.395 20 0 CEADMP CCC1(CC)CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000689223168 812040907 /nfs/dbraw/zinc/04/09/07/812040907.db2.gz RJOGAAYTDYUDPV-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP CC/C=C\CC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001113305104 812212685 /nfs/dbraw/zinc/21/26/85/812212685.db2.gz AVEBAPIPIJMFGK-XITLMJRVSA-N 2 1 295.471 2.073 20 0 CEADMP C[C@@H]1CC[C@@H](N2CC[NH+](CC3CC[NH+](C)CC3)CC2)C1 ZINC001170156356 812284736 /nfs/dbraw/zinc/28/47/36/812284736.db2.gz DPGWXTPYGIFAGF-NVXWUHKLSA-N 2 1 279.472 2.134 20 0 CEADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157702460 812335400 /nfs/dbraw/zinc/33/54/00/812335400.db2.gz UACCHUOXWFCDIN-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[C@@H]([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)CCO1 ZINC001170215334 812339774 /nfs/dbraw/zinc/33/97/74/812339774.db2.gz BBZWSBXXUHVSSQ-KBPBESRZSA-N 2 1 295.427 2.074 20 0 CEADMP COc1cc(F)ccc1C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254504496 812423133 /nfs/dbraw/zinc/42/31/33/812423133.db2.gz CKONBTYZKDPVKN-AWEZNQCLSA-N 2 1 266.360 2.408 20 0 CEADMP COc1cc(F)ccc1C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254504496 812423140 /nfs/dbraw/zinc/42/31/40/812423140.db2.gz CKONBTYZKDPVKN-AWEZNQCLSA-N 2 1 266.360 2.408 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@@H]2CCC[N@H+](C)CC2)c1 ZINC001254509729 812428380 /nfs/dbraw/zinc/42/83/80/812428380.db2.gz PSYYRVJTZFYCQL-CQSZACIVSA-N 2 1 266.360 2.408 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC001254509729 812428384 /nfs/dbraw/zinc/42/83/84/812428384.db2.gz PSYYRVJTZFYCQL-CQSZACIVSA-N 2 1 266.360 2.408 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052715403 812450874 /nfs/dbraw/zinc/45/08/74/812450874.db2.gz CJFUQFWSDQKTHP-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001052715403 812450875 /nfs/dbraw/zinc/45/08/75/812450875.db2.gz CJFUQFWSDQKTHP-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001052715403 812450877 /nfs/dbraw/zinc/45/08/77/812450877.db2.gz CJFUQFWSDQKTHP-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052717067 812452613 /nfs/dbraw/zinc/45/26/13/812452613.db2.gz SCAYIFQPFVPSAW-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001052717067 812452620 /nfs/dbraw/zinc/45/26/20/812452620.db2.gz SCAYIFQPFVPSAW-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052717067 812452626 /nfs/dbraw/zinc/45/26/26/812452626.db2.gz SCAYIFQPFVPSAW-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1c(C[N@@H+](C)CC2CC[NH+](C)CC2)nc2ccccn12 ZINC001137272383 812561567 /nfs/dbraw/zinc/56/15/67/812561567.db2.gz TUBBGQHNLJDWPK-UHFFFAOYSA-N 2 1 286.423 2.416 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCCC1 ZINC001130708743 812599509 /nfs/dbraw/zinc/59/95/09/812599509.db2.gz GPOWXUDWNZZOQA-INIZCTEOSA-N 2 1 295.471 2.003 20 0 CEADMP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001170565775 812683791 /nfs/dbraw/zinc/68/37/91/812683791.db2.gz XJTISODZVYGVRY-CABCVRRESA-N 2 1 294.439 2.278 20 0 CEADMP CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050144626 812789031 /nfs/dbraw/zinc/78/90/31/812789031.db2.gz LIPVIRRZOFGREA-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132210370 812799302 /nfs/dbraw/zinc/79/93/02/812799302.db2.gz HAPDUAYECHYTPH-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001050357527 812810535 /nfs/dbraw/zinc/81/05/35/812810535.db2.gz CKZDOOKVUVSKDK-VGWMRTNUSA-N 2 1 295.471 2.001 20 0 CEADMP CCCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277091 812819379 /nfs/dbraw/zinc/81/93/79/812819379.db2.gz ARMPTYCJOHEJCX-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC(C)C)C1 ZINC001132377343 812837619 /nfs/dbraw/zinc/83/76/19/812837619.db2.gz WUINEUCUCWPDGP-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP C(C[N@@H+]1CCC[C@@H](N2CCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000382625331 813089312 /nfs/dbraw/zinc/08/93/12/813089312.db2.gz HQNIOGZRVWEEMM-HQSKLWIPSA-N 2 1 291.483 2.467 20 0 CEADMP C(C[N@H+]1CCC[C@@H](N2CCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000382625331 813089317 /nfs/dbraw/zinc/08/93/17/813089317.db2.gz HQNIOGZRVWEEMM-HQSKLWIPSA-N 2 1 291.483 2.467 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000384109485 813113122 /nfs/dbraw/zinc/11/31/22/813113122.db2.gz LSXIBIHBZDZQNQ-NJAFHUGGSA-N 2 1 288.435 2.381 20 0 CEADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170751144 813271137 /nfs/dbraw/zinc/27/11/37/813271137.db2.gz OYBYIKRGGMIYQD-ARKGTOAJSA-N 2 1 278.440 2.074 20 0 CEADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170751144 813271144 /nfs/dbraw/zinc/27/11/44/813271144.db2.gz OYBYIKRGGMIYQD-ARKGTOAJSA-N 2 1 278.440 2.074 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170751144 813271147 /nfs/dbraw/zinc/27/11/47/813271147.db2.gz OYBYIKRGGMIYQD-ARKGTOAJSA-N 2 1 278.440 2.074 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170751144 813271153 /nfs/dbraw/zinc/27/11/53/813271153.db2.gz OYBYIKRGGMIYQD-ARKGTOAJSA-N 2 1 278.440 2.074 20 0 CEADMP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135007236 813352526 /nfs/dbraw/zinc/35/25/26/813352526.db2.gz GFPRWJCRFIQOMH-ZIAGYGMSSA-N 2 1 292.427 2.031 20 0 CEADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(NCOc3ccccc3)cn12 ZINC001170807004 813400442 /nfs/dbraw/zinc/40/04/42/813400442.db2.gz XCKAXODEYRBNBA-UHFFFAOYSA-N 2 1 294.358 2.470 20 0 CEADMP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477099 813446042 /nfs/dbraw/zinc/44/60/42/813446042.db2.gz QTNWHRCLGOHNAY-CABCVRRESA-N 2 1 297.487 2.391 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1C[NH3+] ZINC000397276465 813609724 /nfs/dbraw/zinc/60/97/24/813609724.db2.gz PJXQETHZKBKLBN-LXTVHRRPSA-N 2 1 290.407 2.132 20 0 CEADMP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCCCNC2)CC1 ZINC001246090156 813678792 /nfs/dbraw/zinc/67/87/92/813678792.db2.gz JNVBFGHLMFKWJV-HWOWSKLDSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246109725 813701982 /nfs/dbraw/zinc/70/19/82/813701982.db2.gz KRLLXWDZQPHYPS-ARFHVFGLSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCCC[NH2+]C2)C1 ZINC001246171895 813718912 /nfs/dbraw/zinc/71/89/12/813718912.db2.gz UEKHJXLCXFVWQJ-XHSDSOJGSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]CCCc2ccc(F)cc2)C[NH2+]1 ZINC001246204966 813729832 /nfs/dbraw/zinc/72/98/32/813729832.db2.gz JJIALQCLNMWNPB-WFASDCNBSA-N 2 1 250.361 2.488 20 0 CEADMP CC(C)C[C@H](N)C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246307783 813768585 /nfs/dbraw/zinc/76/85/85/813768585.db2.gz DZBRXMZGVDRESE-FHERZECASA-N 2 1 267.461 2.262 20 0 CEADMP CCCCCC[C@@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246496978 813867018 /nfs/dbraw/zinc/86/70/18/813867018.db2.gz NOPCMDIPJDVNRC-CABCVRRESA-N 2 1 255.450 2.277 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@H+](C2CCCCCCC2)CC1 ZINC001246542158 813955159 /nfs/dbraw/zinc/95/51/59/813955159.db2.gz JGPRTOVQOJLPDG-HNNXBMFYSA-N 2 1 254.418 2.275 20 0 CEADMP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(O)c3C)C[C@@H]2C1 ZINC001144120070 813962085 /nfs/dbraw/zinc/96/20/85/813962085.db2.gz BZKRZWUFPWDQKE-GJZGRUSLSA-N 2 1 260.381 2.084 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4cc[nH]c4n3)C2)CC1 ZINC001144186200 813988434 /nfs/dbraw/zinc/98/84/34/813988434.db2.gz RUSOABIAULEDEP-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246547452 813990111 /nfs/dbraw/zinc/99/01/11/813990111.db2.gz IGRDPHLPZMCWDV-HOCLYGCPSA-N 3 1 283.435 2.062 20 0 CEADMP CCOC(=O)CCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246568549 814068192 /nfs/dbraw/zinc/06/81/92/814068192.db2.gz PEVHZIDDEYEFNS-QLFBSQMISA-N 2 1 284.444 2.415 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C)C2)c1 ZINC001256145022 814142070 /nfs/dbraw/zinc/14/20/70/814142070.db2.gz VRBNYAJIZZJGPN-UKRRQHHQSA-N 2 1 262.397 2.168 20 0 CEADMP COC(=O)CCCC[C@@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246583804 814166438 /nfs/dbraw/zinc/16/64/38/814166438.db2.gz RZOOMWHECXIEMM-ZIAGYGMSSA-N 2 1 270.417 2.169 20 0 CEADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC2CCCCC2)C1 ZINC001171226990 814192996 /nfs/dbraw/zinc/19/29/96/814192996.db2.gz LKFXJYNETXHZBX-MRXNPFEDSA-N 2 1 295.471 2.004 20 0 CEADMP CCCCC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001100899807 814202390 /nfs/dbraw/zinc/20/23/90/814202390.db2.gz BHJNABWNMFNROR-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP C[C@H]1C[C@H]([N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC(C)(C)C1 ZINC001246623079 814221559 /nfs/dbraw/zinc/22/15/59/814221559.db2.gz JPOIPIKFAVCFDZ-LJISPDSOSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@H]1C[C@H]([NH+]2CCC3(CCCOC3)CC2)CC[NH2+]1 ZINC001246900831 814355056 /nfs/dbraw/zinc/35/50/56/814355056.db2.gz XLIXIYMXJAXKJA-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102088177 814358184 /nfs/dbraw/zinc/35/81/84/814358184.db2.gz QKDGTLGZVZUCKH-BZUAXINKSA-N 2 1 297.487 2.201 20 0 CEADMP C1CC1[N@H+]([C@H]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCCNC1 ZINC001246913885 814391465 /nfs/dbraw/zinc/39/14/65/814391465.db2.gz IHIQKRLJIVOBEU-JKSUJKDBSA-N 2 1 277.456 2.125 20 0 CEADMP C1CC1[N@@H+]([C@H]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCCNC1 ZINC001246913885 814391473 /nfs/dbraw/zinc/39/14/73/814391473.db2.gz IHIQKRLJIVOBEU-JKSUJKDBSA-N 2 1 277.456 2.125 20 0 CEADMP C([C@@H]1CCCOC1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692861884 814611619 /nfs/dbraw/zinc/61/16/19/814611619.db2.gz OFKXMGIFLRYCKO-HOCLYGCPSA-N 2 1 266.429 2.125 20 0 CEADMP CCCCOC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000693475271 814621454 /nfs/dbraw/zinc/62/14/54/814621454.db2.gz GBAYWHMOWDIZPB-ZIAGYGMSSA-N 2 1 270.417 2.169 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](C)C[C@H](C)C[NH3+])CC1 ZINC001173107186 815581271 /nfs/dbraw/zinc/58/12/71/815581271.db2.gz KVUJKKNAMMFFRV-WLYUNCDWSA-N 3 1 255.450 2.166 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCCN(C)CC2)CC1 ZINC001173108576 815582150 /nfs/dbraw/zinc/58/21/50/815582150.db2.gz NWLWJOOVZWJBAN-UHFFFAOYSA-N 2 1 267.461 2.277 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@](C)(O)C2)CC1 ZINC001173110476 815582863 /nfs/dbraw/zinc/58/28/63/815582863.db2.gz SXCJXZCBWBVORR-YMAMQOFZSA-N 2 1 254.418 2.096 20 0 CEADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173124519 815588430 /nfs/dbraw/zinc/58/84/30/815588430.db2.gz QDOPVFJNKREXML-DYEKYZERSA-N 2 1 279.453 2.463 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2c[nH]nc2C)C1 ZINC001116498408 814858518 /nfs/dbraw/zinc/85/85/18/814858518.db2.gz MBWLAJDFTYSGMZ-AAEUAGOBSA-N 2 1 250.390 2.101 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2c[nH]nc2C)C1 ZINC001116498408 814858524 /nfs/dbraw/zinc/85/85/24/814858524.db2.gz MBWLAJDFTYSGMZ-AAEUAGOBSA-N 2 1 250.390 2.101 20 0 CEADMP CC1(C)CC[C@H](C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)OC1 ZINC000713609144 814868563 /nfs/dbraw/zinc/86/85/63/814868563.db2.gz BNYPKUVGANFSEC-IJLUTSLNSA-N 2 1 294.361 2.261 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)OC1 ZINC000713609144 814868569 /nfs/dbraw/zinc/86/85/69/814868569.db2.gz BNYPKUVGANFSEC-IJLUTSLNSA-N 2 1 294.361 2.261 20 0 CEADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2CCO[C@@H](C)C2)CC1 ZINC001173173511 815615187 /nfs/dbraw/zinc/61/51/87/815615187.db2.gz KIYZBTUCTHTQTI-XIRDDKMYSA-N 2 1 296.455 2.129 20 0 CEADMP CC[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3CN(CC)CCO[C@@H]3C2)C1 ZINC001173277267 815666673 /nfs/dbraw/zinc/66/66/73/815666673.db2.gz DXCKLJONSXXZKJ-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)C1 ZINC001173277267 815666679 /nfs/dbraw/zinc/66/66/79/815666679.db2.gz DXCKLJONSXXZKJ-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)C1 ZINC001173277267 815666682 /nfs/dbraw/zinc/66/66/82/815666682.db2.gz DXCKLJONSXXZKJ-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1CC[C@@H]([NH+]2C[C@@H]3C[N@H+](CC)CCO[C@@H]3C2)C1 ZINC001173277267 815666690 /nfs/dbraw/zinc/66/66/90/815666690.db2.gz DXCKLJONSXXZKJ-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1CC[C@@H]([NH+]2C[C@@H]3C[N@@H+](CC)CCO[C@@H]3C2)C1 ZINC001173277267 815666696 /nfs/dbraw/zinc/66/66/96/815666696.db2.gz DXCKLJONSXXZKJ-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP CC[N@H+]1CC[C@@H](n2c3ccccc3c3c2C[C@H]([NH3+])C3)C1 ZINC001173354680 815696007 /nfs/dbraw/zinc/69/60/07/815696007.db2.gz IXKPAHRCYOSUBK-CHWSQXEVSA-N 2 1 269.392 2.334 20 0 CEADMP CC[N@H+]1CC[C@@H](N2C[C@H]3CC[NH+](Cc4ccccc4)[C@H]3C2)C1 ZINC001173367540 815704736 /nfs/dbraw/zinc/70/47/36/815704736.db2.gz HRZALZGWPPDALN-QRVBRYPASA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CC[C@@H](N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)C1 ZINC001173367540 815704739 /nfs/dbraw/zinc/70/47/39/815704739.db2.gz HRZALZGWPPDALN-QRVBRYPASA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CC[C@@H](N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)C1 ZINC001173367540 815704742 /nfs/dbraw/zinc/70/47/42/815704742.db2.gz HRZALZGWPPDALN-QRVBRYPASA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)CCCCC(=O)OC)CC1 ZINC001173435511 815712992 /nfs/dbraw/zinc/71/29/92/815712992.db2.gz BRIQNKOVXLPELC-ZDUSSCGKSA-N 2 1 270.417 2.182 20 0 CEADMP CSc1ncc(C)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206209089 815791399 /nfs/dbraw/zinc/79/13/99/815791399.db2.gz BCIFNHLBXWYYOI-STQMWFEESA-N 2 1 283.416 2.373 20 0 CEADMP CSc1ncc(C)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206209089 815791407 /nfs/dbraw/zinc/79/14/07/815791407.db2.gz BCIFNHLBXWYYOI-STQMWFEESA-N 2 1 283.416 2.373 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C1 ZINC001173648675 815791977 /nfs/dbraw/zinc/79/19/77/815791977.db2.gz FJHCHRJLGXCAJM-SOUVJXGZSA-N 2 1 282.428 2.182 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)cc1 ZINC001138544768 815821726 /nfs/dbraw/zinc/82/17/26/815821726.db2.gz ONJWXMLPRXQKPR-WBMJQRKESA-N 2 1 271.364 2.136 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)cc1 ZINC001138544768 815821735 /nfs/dbraw/zinc/82/17/35/815821735.db2.gz ONJWXMLPRXQKPR-WBMJQRKESA-N 2 1 271.364 2.136 20 0 CEADMP Cc1nccn1-c1ccc(C[N@H+]2CCOC[C@H]2C)cc1 ZINC001138542691 815822124 /nfs/dbraw/zinc/82/21/24/815822124.db2.gz FGKBPRQDZXQFKG-CYBMUJFWSA-N 2 1 271.364 2.401 20 0 CEADMP CCSc1ncc(C[NH+]2CCC(C[NH+](C)C)CC2)cn1 ZINC001138654806 815862444 /nfs/dbraw/zinc/86/24/44/815862444.db2.gz GTABHUYNAZMTQE-UHFFFAOYSA-N 2 1 294.468 2.362 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cnc4[nH]ccc4c3)C2)CC1 ZINC001138737673 815882658 /nfs/dbraw/zinc/88/26/58/815882658.db2.gz KJFJGHMXVFZVJN-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC(=O)CC2)cc1 ZINC001138769618 815892219 /nfs/dbraw/zinc/89/22/19/815892219.db2.gz UXYQBUBEHWRADB-UHFFFAOYSA-N 2 1 290.407 2.182 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC(=O)CC2)cc1 ZINC001138769618 815892229 /nfs/dbraw/zinc/89/22/29/815892229.db2.gz UXYQBUBEHWRADB-UHFFFAOYSA-N 2 1 290.407 2.182 20 0 CEADMP Cc1c[nH]c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)n1 ZINC001138940207 815931231 /nfs/dbraw/zinc/93/12/31/815931231.db2.gz AQCMKTWHHGGYAW-UHFFFAOYSA-N 2 1 264.417 2.270 20 0 CEADMP Cc1c[nH]c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)n1 ZINC001138940207 815931232 /nfs/dbraw/zinc/93/12/32/815931232.db2.gz AQCMKTWHHGGYAW-UHFFFAOYSA-N 2 1 264.417 2.270 20 0 CEADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)C(C)(C)C ZINC001139324287 816003339 /nfs/dbraw/zinc/00/33/39/816003339.db2.gz VGKHOVPPXUKQTC-UHFFFAOYSA-N 2 1 282.457 2.125 20 0 CEADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)C(C)(C)C ZINC001139324287 816003346 /nfs/dbraw/zinc/00/33/46/816003346.db2.gz VGKHOVPPXUKQTC-UHFFFAOYSA-N 2 1 282.457 2.125 20 0 CEADMP C[NH+]1CCC2(C[NH+](Cc3cc(O)ccc3F)C2)CC1 ZINC001140052730 816177842 /nfs/dbraw/zinc/17/78/42/816177842.db2.gz XOJNKTDUXPRLCH-UHFFFAOYSA-N 2 1 264.344 2.059 20 0 CEADMP C[NH+]1CCC(C2CC[NH+](Cc3ccncc3O)CC2)CC1 ZINC001140277776 816221952 /nfs/dbraw/zinc/22/19/52/816221952.db2.gz LFPWWSKVNAEZPS-UHFFFAOYSA-N 2 1 289.423 2.341 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4n[nH]cc4c3)C[C@H]2C1 ZINC001140388716 816250113 /nfs/dbraw/zinc/25/01/13/816250113.db2.gz DCHSOXIERBVWDL-HZPDHXFCSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4ncn(C)c4c3)C[C@H]2C1 ZINC001140742967 816339271 /nfs/dbraw/zinc/33/92/71/816339271.db2.gz RRBUZTSINVZGKM-HZPDHXFCSA-N 2 1 298.434 2.347 20 0 CEADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176165414 816366800 /nfs/dbraw/zinc/36/68/00/816366800.db2.gz KTSZKEJULBFTBS-HUUCEWRRSA-N 2 1 283.460 2.003 20 0 CEADMP CC[N@@H+](C)C1CCN(Cc2cnc3cc[nH]cc2-3)CC1 ZINC001140805528 816367064 /nfs/dbraw/zinc/36/70/64/816367064.db2.gz IGPCEHRFURCEPJ-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC[N@H+](C)C1CCN(Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140805528 816367082 /nfs/dbraw/zinc/36/70/82/816367082.db2.gz IGPCEHRFURCEPJ-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC[N@@H+](C)C1CCN(Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140805528 816367088 /nfs/dbraw/zinc/36/70/88/816367088.db2.gz IGPCEHRFURCEPJ-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CN1CCC2(CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)C1=O ZINC001140806081 816368508 /nfs/dbraw/zinc/36/85/08/816368508.db2.gz VIVVAZCCKSXYQW-UHFFFAOYSA-N 2 1 298.390 2.007 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC[NH+](C)C ZINC001206273308 816422024 /nfs/dbraw/zinc/42/20/24/816422024.db2.gz SDYGNAAHTSVSIB-RDJZCZTQSA-N 2 1 276.424 2.475 20 0 CEADMP C[NH+]1CCN(c2ccccc2C[NH+]2CC(C(F)F)C2)CC1 ZINC001140976224 816429433 /nfs/dbraw/zinc/42/94/33/816429433.db2.gz HGBFKRAROVCHNB-UHFFFAOYSA-N 2 1 295.377 2.135 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ncccn4)c3)C[C@@H]2C1 ZINC001140980869 816430481 /nfs/dbraw/zinc/43/04/81/816430481.db2.gz MMSHKIOHOFVIGH-CALCHBBNSA-N 2 1 294.402 2.137 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ncccn4)c3)C[C@@H]2C1 ZINC001140980869 816430486 /nfs/dbraw/zinc/43/04/86/816430486.db2.gz MMSHKIOHOFVIGH-CALCHBBNSA-N 2 1 294.402 2.137 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(-c4ncccn4)c3)C[C@@H]2C1 ZINC001140980869 816430488 /nfs/dbraw/zinc/43/04/88/816430488.db2.gz MMSHKIOHOFVIGH-CALCHBBNSA-N 2 1 294.402 2.137 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(-c4ncccn4)c3)C[C@@H]2C1 ZINC001140980869 816430492 /nfs/dbraw/zinc/43/04/92/816430492.db2.gz MMSHKIOHOFVIGH-CALCHBBNSA-N 2 1 294.402 2.137 20 0 CEADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001203122275 816685838 /nfs/dbraw/zinc/68/58/38/816685838.db2.gz VZWOBPVSKCYOBP-HNNXBMFYSA-N 2 1 284.363 2.142 20 0 CEADMP [NH3+]C[C@@]1(F)CCCC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206334879 816764907 /nfs/dbraw/zinc/76/49/07/816764907.db2.gz AHTFQOPGWPETSW-YJNKXOJESA-N 2 1 252.377 2.352 20 0 CEADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206334879 816764913 /nfs/dbraw/zinc/76/49/13/816764913.db2.gz AHTFQOPGWPETSW-YJNKXOJESA-N 2 1 252.377 2.352 20 0 CEADMP C[NH+](C)Cc1ccc(C(=O)Nc2ccc3c[nH+]cn3c2)o1 ZINC001179309283 816849054 /nfs/dbraw/zinc/84/90/54/816849054.db2.gz DSEYFSQDWFLGLV-UHFFFAOYSA-N 2 1 284.319 2.241 20 0 CEADMP CC(C)[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179585021 816885496 /nfs/dbraw/zinc/88/54/96/816885496.db2.gz AJUXEBPHGAQGDJ-OAHLLOKOSA-N 2 1 283.460 2.003 20 0 CEADMP CC[C@H](C)[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124337585 187132957 /nfs/dbraw/zinc/13/29/57/187132957.db2.gz VKOXWYJKAJQTRQ-GJZGRUSLSA-N 2 1 269.477 2.284 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000337417538 214070066 /nfs/dbraw/zinc/07/00/66/214070066.db2.gz PTSQFJSRIWVWRR-NEPJUHHUSA-N 2 1 273.327 2.332 20 0 CEADMP COCC1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000449076652 282090938 /nfs/dbraw/zinc/09/09/38/282090938.db2.gz QBALKSVIJSBBPR-SHARSMKWSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2OC)C1 ZINC000449090816 282096922 /nfs/dbraw/zinc/09/69/22/282096922.db2.gz OPENHNAQBFBDLT-AWEZNQCLSA-N 2 1 262.397 2.435 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2OC)C1 ZINC000449090816 282096926 /nfs/dbraw/zinc/09/69/26/282096926.db2.gz OPENHNAQBFBDLT-AWEZNQCLSA-N 2 1 262.397 2.435 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1CC1 ZINC000121338228 365554472 /nfs/dbraw/zinc/55/44/72/365554472.db2.gz JPGYKWRTLSHCFJ-JJXSEGSLSA-N 2 1 278.440 2.264 20 0 CEADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000567639061 299069868 /nfs/dbraw/zinc/06/98/68/299069868.db2.gz PMGFDMJSKPYAER-CYBMUJFWSA-N 2 1 298.452 2.129 20 0 CEADMP [NH3+][C@@H]1C[C@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000567653724 299071131 /nfs/dbraw/zinc/07/11/31/299071131.db2.gz MGGMPVWFJDQCSH-HZMVEIRTSA-N 2 1 271.408 2.109 20 0 CEADMP Cc1ccc(CC[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000125004452 187164858 /nfs/dbraw/zinc/16/48/58/187164858.db2.gz DBXXJBISEZEZDO-UHFFFAOYSA-N 2 1 290.451 2.316 20 0 CEADMP Cc1ccc(CC[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000125004452 187164859 /nfs/dbraw/zinc/16/48/59/187164859.db2.gz DBXXJBISEZEZDO-UHFFFAOYSA-N 2 1 290.451 2.316 20 0 CEADMP COC(=O)CC[N@@H+](CCC[NH+]1CCCCC1)CC(C)C ZINC000125032975 187166696 /nfs/dbraw/zinc/16/66/96/187166696.db2.gz YGAAAXQKNROFKN-UHFFFAOYSA-N 2 1 284.444 2.384 20 0 CEADMP COCC1CCC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000449150114 282120633 /nfs/dbraw/zinc/12/06/33/282120633.db2.gz QGLCPTOKOQZZOG-JCYILVPMSA-N 2 1 298.471 2.018 20 0 CEADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCC1 ZINC000449149676 282120730 /nfs/dbraw/zinc/12/07/30/282120730.db2.gz OJBJURGOVDUHRB-JKSUJKDBSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000336561947 365648018 /nfs/dbraw/zinc/64/80/18/365648018.db2.gz YRWZSFVDAFKRBF-SJORKVTESA-N 2 1 274.408 2.110 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000336561947 365648021 /nfs/dbraw/zinc/64/80/21/365648021.db2.gz YRWZSFVDAFKRBF-SJORKVTESA-N 2 1 274.408 2.110 20 0 CEADMP CCOC(=O)CCCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601333454 346822958 /nfs/dbraw/zinc/82/29/58/346822958.db2.gz DISIDMMOVUIDOT-GJZGRUSLSA-N 2 1 282.428 2.184 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601333454 346822960 /nfs/dbraw/zinc/82/29/60/346822960.db2.gz DISIDMMOVUIDOT-GJZGRUSLSA-N 2 1 282.428 2.184 20 0 CEADMP C[NH+](C)CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000036804119 361859901 /nfs/dbraw/zinc/85/99/01/361859901.db2.gz CYCHVEYOSDJFJR-UHFFFAOYSA-N 2 1 284.787 2.153 20 0 CEADMP Cc1cc(C)cc(C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000567691085 299076417 /nfs/dbraw/zinc/07/64/17/299076417.db2.gz OZBMKJNVRJRQNU-CRAIPNDOSA-N 2 1 290.451 2.279 20 0 CEADMP Cc1cc(C)cc(C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000567691085 299076420 /nfs/dbraw/zinc/07/64/20/299076420.db2.gz OZBMKJNVRJRQNU-CRAIPNDOSA-N 2 1 290.451 2.279 20 0 CEADMP C[C@@H]([NH2+]CCC[NH3+])c1ccccc1Br ZINC000037713219 361923170 /nfs/dbraw/zinc/92/31/70/361923170.db2.gz HZRBJNCVOPSDHK-SECBINFHSA-N 2 1 257.175 2.449 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337995920 214350974 /nfs/dbraw/zinc/35/09/74/214350974.db2.gz XVQFLPBBVMCZRB-GDBMZVCRSA-N 2 1 286.435 2.341 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nccs1 ZINC000338009113 214357391 /nfs/dbraw/zinc/35/73/91/214357391.db2.gz HBRVVSSKEFHLFR-JTQLQIEISA-N 2 1 250.371 2.389 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621651584 349649963 /nfs/dbraw/zinc/64/99/63/349649963.db2.gz MPQUETPXPIDIHH-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+](CCC[NH2+][C@H]1CCCOC1)C1CCCCC1 ZINC000070464838 539174771 /nfs/dbraw/zinc/17/47/71/539174771.db2.gz STFPKWKSPDPXAY-AWEZNQCLSA-N 2 1 254.418 2.410 20 0 CEADMP FC1(F)C[C@@H]1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000621733103 349686243 /nfs/dbraw/zinc/68/62/43/349686243.db2.gz BBGPSVKKLSURPJ-JSGCOSHPSA-N 2 1 288.382 2.265 20 0 CEADMP CC[NH2+]CCCN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000567723995 299081873 /nfs/dbraw/zinc/08/18/73/299081873.db2.gz MYMPHUMYGOEVFX-WBVHZDCISA-N 2 1 275.440 2.411 20 0 CEADMP C(C[C@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668586208 539204343 /nfs/dbraw/zinc/20/43/43/539204343.db2.gz BEAPWRLGPMGNLK-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP C(C[C@H]1CCOC1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668586208 539204344 /nfs/dbraw/zinc/20/43/44/539204344.db2.gz BEAPWRLGPMGNLK-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[C@H](N(C)Cc2ccc(N(C)C)nc2)CC[N@H+]1C ZINC000130671391 539220560 /nfs/dbraw/zinc/22/05/60/539220560.db2.gz QXZKGUZEUAXOFX-UKRRQHHQSA-N 2 1 276.428 2.062 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)C)nc2)CCN1C ZINC000130671391 539220562 /nfs/dbraw/zinc/22/05/62/539220562.db2.gz QXZKGUZEUAXOFX-UKRRQHHQSA-N 2 1 276.428 2.062 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N(C)C)nc2)CCN1C ZINC000130671391 539220564 /nfs/dbraw/zinc/22/05/64/539220564.db2.gz QXZKGUZEUAXOFX-UKRRQHHQSA-N 2 1 276.428 2.062 20 0 CEADMP C[C@H]1C[C@H](N(C)Cc2ccc(N(C)C)nc2)CC[N@H+]1C ZINC000130671572 539220621 /nfs/dbraw/zinc/22/06/21/539220621.db2.gz QXZKGUZEUAXOFX-DZGCQCFKSA-N 2 1 276.428 2.062 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)C)nc2)CCN1C ZINC000130671572 539220622 /nfs/dbraw/zinc/22/06/22/539220622.db2.gz QXZKGUZEUAXOFX-DZGCQCFKSA-N 2 1 276.428 2.062 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N(C)C)nc2)CCN1C ZINC000130671572 539220623 /nfs/dbraw/zinc/22/06/23/539220623.db2.gz QXZKGUZEUAXOFX-DZGCQCFKSA-N 2 1 276.428 2.062 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000668595814 539207050 /nfs/dbraw/zinc/20/70/50/539207050.db2.gz ANTVQXXKACMTOM-NVXWUHKLSA-N 2 1 298.390 2.044 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCCCC1CCOCC1)C2 ZINC000621784535 349702212 /nfs/dbraw/zinc/70/22/12/349702212.db2.gz QFQQHIFHZLXGAU-CVEARBPZSA-N 2 1 266.429 2.397 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000305711522 539225557 /nfs/dbraw/zinc/22/55/57/539225557.db2.gz XWIVJGIETAGPMX-OCCSQVGLSA-N 2 1 297.468 2.339 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2(CO)CCCCC2)CC[N@H+]1C ZINC000123274118 539228511 /nfs/dbraw/zinc/22/85/11/539228511.db2.gz XYGLYNUUWDGTTK-UONOGXRCSA-N 2 1 254.418 2.002 20 0 CEADMP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C1 ZINC000668741689 539256757 /nfs/dbraw/zinc/25/67/57/539256757.db2.gz YLOUPUOQFDKFBN-INIZCTEOSA-N 2 1 299.418 2.199 20 0 CEADMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C1 ZINC000668741689 539256758 /nfs/dbraw/zinc/25/67/58/539256758.db2.gz YLOUPUOQFDKFBN-INIZCTEOSA-N 2 1 299.418 2.199 20 0 CEADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166654037 539272212 /nfs/dbraw/zinc/27/22/12/539272212.db2.gz CDEUEHYYUNDXMS-NILFDRSVSA-N 2 1 277.412 2.439 20 0 CEADMP c1cn(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000041063675 362016697 /nfs/dbraw/zinc/01/66/97/362016697.db2.gz QOGLVBCMRJXXPA-UHFFFAOYSA-N 2 1 284.407 2.137 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000449395802 282217295 /nfs/dbraw/zinc/21/72/95/282217295.db2.gz VYQVUFALYJHJDV-SQNIBIBYSA-N 2 1 288.435 2.461 20 0 CEADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)COCC1CCOCC1 ZINC000166671549 539298741 /nfs/dbraw/zinc/29/87/41/539298741.db2.gz PPCJYZOAONRHJL-IAGOWNOFSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@H]([NH2+]C1CCN(CC2CC2)CC1)C1CC[NH+](C)CC1 ZINC000675754335 539301501 /nfs/dbraw/zinc/30/15/01/539301501.db2.gz RBVJCUJHAKEEEK-AWEZNQCLSA-N 2 1 279.472 2.181 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(CC(F)F)CC2)[C@H](C)C1 ZINC000675792723 539304549 /nfs/dbraw/zinc/30/45/49/539304549.db2.gz SAEQQTMOBULBFR-TZMCWYRMSA-N 2 1 289.414 2.036 20 0 CEADMP COC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559783759 539316581 /nfs/dbraw/zinc/31/65/81/539316581.db2.gz AGDVBDVCQRDZHK-VNQPRFMTSA-N 2 1 262.397 2.446 20 0 CEADMP COC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559783759 539316583 /nfs/dbraw/zinc/31/65/83/539316583.db2.gz AGDVBDVCQRDZHK-VNQPRFMTSA-N 2 1 262.397 2.446 20 0 CEADMP COCC(COC)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449534468 282275720 /nfs/dbraw/zinc/27/57/20/282275720.db2.gz CIEXFSLBEXSYPE-RHSMWYFYSA-N 2 1 298.471 2.281 20 0 CEADMP COC1CCC([N@@H+](C)CC[C@H]2CCC[NH+]2C)CC1 ZINC000336697505 365765793 /nfs/dbraw/zinc/76/57/93/365765793.db2.gz FRYJLKWFWJIHFS-WLYUNCDWSA-N 2 1 254.418 2.360 20 0 CEADMP COC1CCC([NH+](C)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000336697505 365765798 /nfs/dbraw/zinc/76/57/98/365765798.db2.gz FRYJLKWFWJIHFS-WLYUNCDWSA-N 2 1 254.418 2.360 20 0 CEADMP COC1CCC([NH+](C)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000336697505 365765801 /nfs/dbraw/zinc/76/58/01/365765801.db2.gz FRYJLKWFWJIHFS-WLYUNCDWSA-N 2 1 254.418 2.360 20 0 CEADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228204146 539325734 /nfs/dbraw/zinc/32/57/34/539325734.db2.gz CPXKGSGVEZDVOU-GJZGRUSLSA-N 2 1 262.397 2.351 20 0 CEADMP CC[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336719460 365782978 /nfs/dbraw/zinc/78/29/78/365782978.db2.gz SIDJGASGZRIOMK-BZSNNMDCSA-N 2 1 288.435 2.211 20 0 CEADMP CC(C)Cc1noc(C[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000056524323 343617795 /nfs/dbraw/zinc/61/77/95/343617795.db2.gz IVRZZNUIVSJQNM-UHFFFAOYSA-N 2 1 294.443 2.432 20 0 CEADMP CC[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336719460 365782963 /nfs/dbraw/zinc/78/29/63/365782963.db2.gz SIDJGASGZRIOMK-BZSNNMDCSA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336719460 365782972 /nfs/dbraw/zinc/78/29/72/365782972.db2.gz SIDJGASGZRIOMK-BZSNNMDCSA-N 2 1 288.435 2.211 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CC(C)(C)C)C1CC1 ZINC000351442498 219097460 /nfs/dbraw/zinc/09/74/60/219097460.db2.gz KYJLISKBWWOVGD-HUUCEWRRSA-N 2 1 268.445 2.342 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CC(C)(C)C)C1CC1 ZINC000351442498 219097462 /nfs/dbraw/zinc/09/74/62/219097462.db2.gz KYJLISKBWWOVGD-HUUCEWRRSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1CC(C)(C)C)C1CC1 ZINC000351442498 219097465 /nfs/dbraw/zinc/09/74/65/219097465.db2.gz KYJLISKBWWOVGD-HUUCEWRRSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1CC(C)(C)C)C1CC1 ZINC000351442498 219097467 /nfs/dbraw/zinc/09/74/67/219097467.db2.gz KYJLISKBWWOVGD-HUUCEWRRSA-N 2 1 268.445 2.342 20 0 CEADMP CCn1cc(CC[N@H+](C)CC[C@H]2CCCC[NH+]2C)cn1 ZINC000351490217 219105117 /nfs/dbraw/zinc/10/51/17/219105117.db2.gz FFRHLJKARUDHGM-MRXNPFEDSA-N 2 1 278.444 2.252 20 0 CEADMP CCn1cc(CC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cn1 ZINC000351490217 219105119 /nfs/dbraw/zinc/10/51/19/219105119.db2.gz FFRHLJKARUDHGM-MRXNPFEDSA-N 2 1 278.444 2.252 20 0 CEADMP CCn1cc(CC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000351490217 219105122 /nfs/dbraw/zinc/10/51/22/219105122.db2.gz FFRHLJKARUDHGM-MRXNPFEDSA-N 2 1 278.444 2.252 20 0 CEADMP CCn1cc(CC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000351490217 219105124 /nfs/dbraw/zinc/10/51/24/219105124.db2.gz FFRHLJKARUDHGM-MRXNPFEDSA-N 2 1 278.444 2.252 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCc2ccncc2)C1 ZINC000351522129 219114857 /nfs/dbraw/zinc/11/48/57/219114857.db2.gz WXUFRGBTLWCJIL-KRWDZBQOSA-N 2 1 291.439 2.057 20 0 CEADMP CCC(CC)(CO)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128082037 187350097 /nfs/dbraw/zinc/35/00/97/187350097.db2.gz SMQHLDPKQZRDAS-UONOGXRCSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@](C)(c2ccccc2)C1)C1CC1 ZINC000351531461 219118200 /nfs/dbraw/zinc/11/82/00/219118200.db2.gz DDYGFBSXLBLLTB-MSOLQXFVSA-N 2 1 288.435 2.105 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@](C)(c2ccccc2)C1)C1CC1 ZINC000351531461 219118202 /nfs/dbraw/zinc/11/82/02/219118202.db2.gz DDYGFBSXLBLLTB-MSOLQXFVSA-N 2 1 288.435 2.105 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@](C)(c2ccccc2)C1)C1CC1 ZINC000351531461 219118204 /nfs/dbraw/zinc/11/82/04/219118204.db2.gz DDYGFBSXLBLLTB-MSOLQXFVSA-N 2 1 288.435 2.105 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@](C)(c2ccccc2)C1)C1CC1 ZINC000351531461 219118205 /nfs/dbraw/zinc/11/82/05/219118205.db2.gz DDYGFBSXLBLLTB-MSOLQXFVSA-N 2 1 288.435 2.105 20 0 CEADMP CCC[C@H](C)[C@H](CC)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128112593 187352211 /nfs/dbraw/zinc/35/22/11/187352211.db2.gz ULEAVDPORSYUTP-JYJNAYRXSA-N 2 1 297.487 2.378 20 0 CEADMP CCCCNC(=O)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860652 343870027 /nfs/dbraw/zinc/87/00/27/343870027.db2.gz AIBITSCXZKOWJB-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCNC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860652 343870028 /nfs/dbraw/zinc/87/00/28/343870028.db2.gz AIBITSCXZKOWJB-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCNC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860652 343870029 /nfs/dbraw/zinc/87/00/29/343870029.db2.gz AIBITSCXZKOWJB-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@](C)(CC)C2)CC1 ZINC000075999170 343875587 /nfs/dbraw/zinc/87/55/87/343875587.db2.gz QKXCXSHMUOEZNK-QGZVFWFLSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC000081584575 344058948 /nfs/dbraw/zinc/05/89/48/344058948.db2.gz IVIUBWREVFGUOL-INIZCTEOSA-N 2 1 278.444 2.164 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC000081584575 344058952 /nfs/dbraw/zinc/05/89/52/344058952.db2.gz IVIUBWREVFGUOL-INIZCTEOSA-N 2 1 278.444 2.164 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCn2nc(C)cc2C)C1 ZINC000081584575 344058955 /nfs/dbraw/zinc/05/89/55/344058955.db2.gz IVIUBWREVFGUOL-INIZCTEOSA-N 2 1 278.444 2.164 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCn2nc(C)cc2C)C1 ZINC000081584575 344058958 /nfs/dbraw/zinc/05/89/58/344058958.db2.gz IVIUBWREVFGUOL-INIZCTEOSA-N 2 1 278.444 2.164 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)C1CC1 ZINC000412085706 529960276 /nfs/dbraw/zinc/96/02/76/529960276.db2.gz VUIQJVMQEMGYJQ-KFWWJZLASA-N 2 1 298.471 2.013 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)C1CC1 ZINC000412085706 529960278 /nfs/dbraw/zinc/96/02/78/529960278.db2.gz VUIQJVMQEMGYJQ-KFWWJZLASA-N 2 1 298.471 2.013 20 0 CEADMP CC[NH+](CC)[C@@H](C)CNc1cncc(-n2cc[nH+]c2C)n1 ZINC000092890600 344205882 /nfs/dbraw/zinc/20/58/82/344205882.db2.gz KDGNVOJQTKOIPK-LBPRGKRZSA-N 2 1 288.399 2.113 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccccc1F ZINC000124509621 344314875 /nfs/dbraw/zinc/31/48/75/344314875.db2.gz IZNXBYXIGXUCHG-NEPJUHHUSA-N 2 1 252.333 2.016 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccccc1F ZINC000124509621 344314877 /nfs/dbraw/zinc/31/48/77/344314877.db2.gz IZNXBYXIGXUCHG-NEPJUHHUSA-N 2 1 252.333 2.016 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000130054302 344349192 /nfs/dbraw/zinc/34/91/92/344349192.db2.gz FDQKSJYCVKLJHS-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP COCC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351596198 219139104 /nfs/dbraw/zinc/13/91/04/219139104.db2.gz NERFNKXHNHKDFG-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H](C)C1 ZINC000449716570 282340051 /nfs/dbraw/zinc/34/00/51/282340051.db2.gz CXRYAYAWOLXTKT-STQMWFEESA-N 2 1 256.434 2.103 20 0 CEADMP C[C@@H]1C[C@@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000226403290 344549760 /nfs/dbraw/zinc/54/97/60/344549760.db2.gz NPZKHWRHLMNDIS-VNQPRFMTSA-N 2 1 289.423 2.066 20 0 CEADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCO1 ZINC000351600276 219141607 /nfs/dbraw/zinc/14/16/07/219141607.db2.gz XUIIESHDPWNUQI-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCCO1 ZINC000351600276 219141609 /nfs/dbraw/zinc/14/16/09/219141609.db2.gz XUIIESHDPWNUQI-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCCO1 ZINC000351600276 219141611 /nfs/dbraw/zinc/14/16/11/219141611.db2.gz XUIIESHDPWNUQI-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)CNC(=[NH2+])NCCC[N@@H+](C)Cc1ccccc1 ZINC000052041137 362461460 /nfs/dbraw/zinc/46/14/60/362461460.db2.gz ZUKCZXQAFJYHFO-UHFFFAOYSA-N 2 1 276.428 2.278 20 0 CEADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351603358 219142879 /nfs/dbraw/zinc/14/28/79/219142879.db2.gz KOHJJVGWXMZCKA-YUELXQCFSA-N 2 1 268.445 2.246 20 0 CEADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351603358 219142881 /nfs/dbraw/zinc/14/28/81/219142881.db2.gz KOHJJVGWXMZCKA-YUELXQCFSA-N 2 1 268.445 2.246 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(C(=O)OC)cc2)CC[C@H]1[NH3+] ZINC000251929489 344638125 /nfs/dbraw/zinc/63/81/25/344638125.db2.gz ZCDLOPOMXDKVBL-DZGCQCFKSA-N 2 1 276.380 2.032 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000383780983 344827772 /nfs/dbraw/zinc/82/77/72/344827772.db2.gz TZLNRCBXCXPBHZ-ZDUSSCGKSA-N 2 1 279.384 2.456 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000383780983 344827773 /nfs/dbraw/zinc/82/77/73/344827773.db2.gz TZLNRCBXCXPBHZ-ZDUSSCGKSA-N 2 1 279.384 2.456 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(=O)NC ZINC000449774392 282362526 /nfs/dbraw/zinc/36/25/26/282362526.db2.gz LQYBGUIYMKIURM-CWRNSKLLSA-N 2 1 295.471 2.144 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000401794531 344869704 /nfs/dbraw/zinc/86/97/04/344869704.db2.gz YFYMJTLTYVCREV-UHFFFAOYSA-N 2 1 282.347 2.006 20 0 CEADMP COCC1(CC[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000584589914 344960601 /nfs/dbraw/zinc/96/06/01/344960601.db2.gz AQCUHCYEKARBJI-UHFFFAOYSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000584662680 344974656 /nfs/dbraw/zinc/97/46/56/344974656.db2.gz HJYWHJQJSDWVEG-CJNGLKHVSA-N 2 1 284.407 2.492 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000584662680 344974658 /nfs/dbraw/zinc/97/46/58/344974658.db2.gz HJYWHJQJSDWVEG-CJNGLKHVSA-N 2 1 284.407 2.492 20 0 CEADMP COC[C@H](C)Oc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000668156698 539429309 /nfs/dbraw/zinc/42/93/09/539429309.db2.gz YWPOXPNPSDHSMH-HNNXBMFYSA-N 2 1 294.439 2.484 20 0 CEADMP COC[C@H](C)Oc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000668156698 539429312 /nfs/dbraw/zinc/42/93/12/539429312.db2.gz YWPOXPNPSDHSMH-HNNXBMFYSA-N 2 1 294.439 2.484 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000591717053 345275325 /nfs/dbraw/zinc/27/53/25/345275325.db2.gz FUOOSYQTUUJIKV-UHFFFAOYSA-N 2 1 285.819 2.050 20 0 CEADMP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591866715 345289248 /nfs/dbraw/zinc/28/92/48/345289248.db2.gz DKXYCIUSTDGCDN-HUUCEWRRSA-N 2 1 292.427 2.071 20 0 CEADMP CC(C)CCNC(=O)[C@@H](C)N1CCC[C@@H](n2ccnc2)C1 ZINC000591866715 345289252 /nfs/dbraw/zinc/28/92/52/345289252.db2.gz DKXYCIUSTDGCDN-HUUCEWRRSA-N 2 1 292.427 2.071 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)[C@@H]1SC ZINC000592395121 345349451 /nfs/dbraw/zinc/34/94/51/345349451.db2.gz PEMQOPZVFNKCKT-AHDPXTMNSA-N 2 1 286.485 2.215 20 0 CEADMP CCOC(=O)CC[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000592430214 345352573 /nfs/dbraw/zinc/35/25/73/345352573.db2.gz RCXSKGGLIOLCIV-ZBFHGGJFSA-N 2 1 282.428 2.041 20 0 CEADMP C[C@H]1CCC[C@H]([N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000043402188 232176538 /nfs/dbraw/zinc/17/65/38/232176538.db2.gz XLUJAMYYHBFWDI-QWRGUYRKSA-N 2 1 266.389 2.274 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000593961073 345556809 /nfs/dbraw/zinc/55/68/09/345556809.db2.gz QBOIAUXSDSDBQE-CYBMUJFWSA-N 2 1 293.411 2.016 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000593961073 345556810 /nfs/dbraw/zinc/55/68/10/345556810.db2.gz QBOIAUXSDSDBQE-CYBMUJFWSA-N 2 1 293.411 2.016 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000623085888 349933511 /nfs/dbraw/zinc/93/35/11/349933511.db2.gz LEUULNDTBGZGBK-UHFFFAOYSA-N 2 1 254.337 2.234 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccccc1-c1ccnn1C ZINC000623085918 349933536 /nfs/dbraw/zinc/93/35/36/349933536.db2.gz NGYZAGRHYSRUSI-UHFFFAOYSA-N 2 1 295.390 2.153 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1conc1Cc1ccccc1 ZINC000623085741 349933826 /nfs/dbraw/zinc/93/38/26/349933826.db2.gz BZFLKOAABUVACU-UHFFFAOYSA-N 2 1 296.374 2.331 20 0 CEADMP C(C[NH2+]C1CC[NH+](C2CC2)CC1)COCC1CC1 ZINC000336786884 365805991 /nfs/dbraw/zinc/80/59/91/365805991.db2.gz CXLCEIKOQQDFIG-UHFFFAOYSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccs1 ZINC000128287604 187361572 /nfs/dbraw/zinc/36/15/72/187361572.db2.gz TZPXPIZKWUWTFI-CQSZACIVSA-N 2 1 281.469 2.426 20 0 CEADMP c1ccc(CSCC[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000596107758 345941358 /nfs/dbraw/zinc/94/13/58/345941358.db2.gz XBTNCQRXQGSXAT-UHFFFAOYSA-N 2 1 262.422 2.261 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000680342357 539526461 /nfs/dbraw/zinc/52/64/61/539526461.db2.gz QEQPYKVLPXRUFZ-ZBFHGGJFSA-N 2 1 284.444 2.033 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCCCC2)CCCO1 ZINC000061936291 362698736 /nfs/dbraw/zinc/69/87/36/362698736.db2.gz UNSVUOWJHAGIGZ-CQSZACIVSA-N 2 1 254.418 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCCCC2)CCCO1 ZINC000061936291 362698741 /nfs/dbraw/zinc/69/87/41/362698741.db2.gz UNSVUOWJHAGIGZ-CQSZACIVSA-N 2 1 254.418 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nccs1 ZINC000063133753 362751783 /nfs/dbraw/zinc/75/17/83/362751783.db2.gz KKAUKDKJMFXJFT-UTUOFQBUSA-N 2 1 253.415 2.004 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCC[C@@H]21 ZINC000599653651 346555925 /nfs/dbraw/zinc/55/59/25/346555925.db2.gz LCBIKNXLWCZUFA-JYJNAYRXSA-N 2 1 296.455 2.382 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCC[C@@H]21 ZINC000599653651 346555929 /nfs/dbraw/zinc/55/59/29/346555929.db2.gz LCBIKNXLWCZUFA-JYJNAYRXSA-N 2 1 296.455 2.382 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000336810927 365849869 /nfs/dbraw/zinc/84/98/69/365849869.db2.gz KBWUJYJVVHXVKL-WISYIIOYSA-N 2 1 280.334 2.169 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000336810927 365849875 /nfs/dbraw/zinc/84/98/75/365849875.db2.gz KBWUJYJVVHXVKL-WISYIIOYSA-N 2 1 280.334 2.169 20 0 CEADMP C(CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)CC1CCOCC1 ZINC000336814587 365854629 /nfs/dbraw/zinc/85/46/29/365854629.db2.gz XMVGHTQJRFGGTQ-INIZCTEOSA-N 2 1 266.429 2.269 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CCOCC2)[C@@H](C)C1 ZINC000336815722 365858049 /nfs/dbraw/zinc/85/80/49/365858049.db2.gz ITJVIXAXEMJLIC-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2CCOCC2)[C@@H](C)C1 ZINC000336815722 365858052 /nfs/dbraw/zinc/85/80/52/365858052.db2.gz ITJVIXAXEMJLIC-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2CCOCC2)[C@@H](C)C1 ZINC000336815722 365858053 /nfs/dbraw/zinc/85/80/53/365858053.db2.gz ITJVIXAXEMJLIC-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccc(O)cc2C1 ZINC000336820188 365866080 /nfs/dbraw/zinc/86/60/80/365866080.db2.gz CAXXDOBFYGUAOI-UHFFFAOYSA-N 2 1 271.364 2.346 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccc(O)cc2C1 ZINC000336820188 365866083 /nfs/dbraw/zinc/86/60/83/365866083.db2.gz CAXXDOBFYGUAOI-UHFFFAOYSA-N 2 1 271.364 2.346 20 0 CEADMP COC(=O)c1csc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000602688908 347148080 /nfs/dbraw/zinc/14/80/80/347148080.db2.gz SOFLSCJTQSTBPI-UHFFFAOYSA-N 2 1 296.436 2.499 20 0 CEADMP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000459489830 290162538 /nfs/dbraw/zinc/16/25/38/290162538.db2.gz VXZKOKIGZSQQRO-KBPBESRZSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)(C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603516791 347377708 /nfs/dbraw/zinc/37/77/08/347377708.db2.gz DEEPXWBYUSMJMH-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000129804072 365894784 /nfs/dbraw/zinc/89/47/84/365894784.db2.gz NXNOWZNUDMXXNO-UHFFFAOYSA-N 2 1 275.440 2.064 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000336825834 365886331 /nfs/dbraw/zinc/88/63/31/365886331.db2.gz ZWWRPAQYEVNOSL-HNNXBMFYSA-N 2 1 277.412 2.101 20 0 CEADMP Cc1ccccc1OCCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351852366 219226535 /nfs/dbraw/zinc/22/65/35/219226535.db2.gz NEXTVGRBAYXONX-GJZGRUSLSA-N 2 1 262.397 2.433 20 0 CEADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000351892825 219239740 /nfs/dbraw/zinc/23/97/40/219239740.db2.gz IQPIYAYVTQQMIQ-UHFFFAOYSA-N 2 1 288.391 2.190 20 0 CEADMP COc1ccc(OCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000128692338 187384306 /nfs/dbraw/zinc/38/43/06/187384306.db2.gz RPBPEODAFIEWAO-BBRMVZONSA-N 2 1 278.396 2.004 20 0 CEADMP CCOC1CC(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000351893338 219239986 /nfs/dbraw/zinc/23/99/86/219239986.db2.gz UWLDFTJSNAZTNS-PRLABOORSA-N 2 1 268.445 2.464 20 0 CEADMP CCOC1CC(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000351893338 219239989 /nfs/dbraw/zinc/23/99/89/219239989.db2.gz UWLDFTJSNAZTNS-PRLABOORSA-N 2 1 268.445 2.464 20 0 CEADMP CCOC1CC(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000351893338 219239990 /nfs/dbraw/zinc/23/99/90/219239990.db2.gz UWLDFTJSNAZTNS-PRLABOORSA-N 2 1 268.445 2.464 20 0 CEADMP c1nc2ccccn2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000614329348 348179762 /nfs/dbraw/zinc/17/97/62/348179762.db2.gz GASLAXVGKVGHFV-KBPBESRZSA-N 2 1 270.380 2.051 20 0 CEADMP c1nc2ccccn2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000614329348 348179764 /nfs/dbraw/zinc/17/97/64/348179764.db2.gz GASLAXVGKVGHFV-KBPBESRZSA-N 2 1 270.380 2.051 20 0 CEADMP Cc1ccc(CCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000339407522 215153208 /nfs/dbraw/zinc/15/32/08/215153208.db2.gz OJCNGNNPXVYMFW-YESZJQIVSA-N 2 1 273.424 2.382 20 0 CEADMP Cc1noc(C)c1CC[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000568778817 299153205 /nfs/dbraw/zinc/15/32/05/299153205.db2.gz AZBUEHQSJZGNQC-CYBMUJFWSA-N 2 1 274.368 2.057 20 0 CEADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335511 349990889 /nfs/dbraw/zinc/99/08/89/349990889.db2.gz QCESIJAOOQTWPR-CQSZACIVSA-N 2 1 255.450 2.181 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)CC1(C)C ZINC000623336872 349991961 /nfs/dbraw/zinc/99/19/61/349991961.db2.gz JXXDDWWHECDRLM-ZDUSSCGKSA-N 2 1 276.380 2.378 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)CC1(C)C ZINC000623336872 349991965 /nfs/dbraw/zinc/99/19/65/349991965.db2.gz JXXDDWWHECDRLM-ZDUSSCGKSA-N 2 1 276.380 2.378 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cn3ccccc3n2)CC1(C)C ZINC000623352650 349996142 /nfs/dbraw/zinc/99/61/42/349996142.db2.gz JGWLBFDASSJJDI-CQSZACIVSA-N 2 1 286.423 2.339 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2-n2cccn2)CC1(C)C ZINC000623354685 349997006 /nfs/dbraw/zinc/99/70/06/349997006.db2.gz ALLCPRAICRBQHB-OAHLLOKOSA-N 2 1 299.422 2.230 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2-n2cccn2)CC1(C)C ZINC000623354685 349997007 /nfs/dbraw/zinc/99/70/07/349997007.db2.gz ALLCPRAICRBQHB-OAHLLOKOSA-N 2 1 299.422 2.230 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(-n3cccn3)c2)CC1(C)C ZINC000623355109 349997017 /nfs/dbraw/zinc/99/70/17/349997017.db2.gz ZMRCHPXLGFLFJB-HNNXBMFYSA-N 2 1 299.422 2.230 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(-n3cccn3)c2)CC1(C)C ZINC000623355109 349997018 /nfs/dbraw/zinc/99/70/18/349997018.db2.gz ZMRCHPXLGFLFJB-HNNXBMFYSA-N 2 1 299.422 2.230 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000616994041 348601863 /nfs/dbraw/zinc/60/18/63/348601863.db2.gz TWIDPQZYOLYVMO-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616994041 348601866 /nfs/dbraw/zinc/60/18/66/348601866.db2.gz TWIDPQZYOLYVMO-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616994041 348601871 /nfs/dbraw/zinc/60/18/71/348601871.db2.gz TWIDPQZYOLYVMO-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCCCCC1 ZINC000617013641 348613438 /nfs/dbraw/zinc/61/34/38/348613438.db2.gz YEWWHVNOKCYOLD-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459737372 290222016 /nfs/dbraw/zinc/22/20/16/290222016.db2.gz RAZYSZGWEUILRH-HNNXBMFYSA-N 3 1 267.461 2.182 20 0 CEADMP CCCN1CCC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459737372 290222018 /nfs/dbraw/zinc/22/20/18/290222018.db2.gz RAZYSZGWEUILRH-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP CCCN1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459737372 290222021 /nfs/dbraw/zinc/22/20/21/290222021.db2.gz RAZYSZGWEUILRH-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000339070211 539660163 /nfs/dbraw/zinc/66/01/63/539660163.db2.gz ZLQYDBZQWAFAPP-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000339070211 539660167 /nfs/dbraw/zinc/66/01/67/539660167.db2.gz ZLQYDBZQWAFAPP-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000339070211 539660172 /nfs/dbraw/zinc/66/01/72/539660172.db2.gz ZLQYDBZQWAFAPP-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP CCOC1CC(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000352015092 219289545 /nfs/dbraw/zinc/28/95/45/219289545.db2.gz PDSHKLWKCLVYCC-FEWQNLEASA-N 2 1 254.418 2.216 20 0 CEADMP CCOC1CC(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000352015092 219289548 /nfs/dbraw/zinc/28/95/48/219289548.db2.gz PDSHKLWKCLVYCC-FEWQNLEASA-N 2 1 254.418 2.216 20 0 CEADMP CCOC1CC(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000352015092 219289550 /nfs/dbraw/zinc/28/95/50/219289550.db2.gz PDSHKLWKCLVYCC-FEWQNLEASA-N 2 1 254.418 2.216 20 0 CEADMP CCOC1CC(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000352015092 219289552 /nfs/dbraw/zinc/28/95/52/219289552.db2.gz PDSHKLWKCLVYCC-FEWQNLEASA-N 2 1 254.418 2.216 20 0 CEADMP C[C@H](N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400400969 233178633 /nfs/dbraw/zinc/17/86/33/233178633.db2.gz KRFDVEOTPKCVGI-ONIAQPFYSA-N 2 1 287.451 2.380 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccn(C)n1 ZINC000459787541 290240663 /nfs/dbraw/zinc/24/06/63/290240663.db2.gz LGKIOXASKLDSSU-GFCCVEGCSA-N 2 1 261.373 2.056 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623401623 350009765 /nfs/dbraw/zinc/00/97/65/350009765.db2.gz HITFNMXTCLHKOT-GJZGRUSLSA-N 2 1 269.477 2.425 20 0 CEADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623401623 350009767 /nfs/dbraw/zinc/00/97/67/350009767.db2.gz HITFNMXTCLHKOT-GJZGRUSLSA-N 2 1 269.477 2.425 20 0 CEADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623401623 350009772 /nfs/dbraw/zinc/00/97/72/350009772.db2.gz HITFNMXTCLHKOT-GJZGRUSLSA-N 2 1 269.477 2.425 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccccc2)CC1(C)C ZINC000623421745 350015678 /nfs/dbraw/zinc/01/56/78/350015678.db2.gz YQRVFBNWIHPEAI-HOTGVXAUSA-N 2 1 276.424 2.052 20 0 CEADMP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623420585 350015711 /nfs/dbraw/zinc/01/57/11/350015711.db2.gz HSJZQDCPVMMRKG-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1(C)C ZINC000623443242 350022084 /nfs/dbraw/zinc/02/20/84/350022084.db2.gz WEMOTBMBIZZYHB-FRRDWIJNSA-N 2 1 254.418 2.262 20 0 CEADMP Cc1cccc2ncc(CNC[C@H]3CCCC[N@H+](C)C3)n21 ZINC000623656136 350076086 /nfs/dbraw/zinc/07/60/86/350076086.db2.gz NWECHRSAINLMAK-OAHLLOKOSA-N 2 1 286.423 2.464 20 0 CEADMP Cc1cccc2ncc(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)n21 ZINC000623656136 350076089 /nfs/dbraw/zinc/07/60/89/350076089.db2.gz NWECHRSAINLMAK-OAHLLOKOSA-N 2 1 286.423 2.464 20 0 CEADMP Cc1cccc2ncc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)n21 ZINC000623656136 350076091 /nfs/dbraw/zinc/07/60/91/350076091.db2.gz NWECHRSAINLMAK-OAHLLOKOSA-N 2 1 286.423 2.464 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)CC1(C)C ZINC000623496629 350034947 /nfs/dbraw/zinc/03/49/47/350034947.db2.gz DWTZUWNZDLXCPE-STQMWFEESA-N 2 1 254.418 2.406 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC1(C)C ZINC000623561222 350051420 /nfs/dbraw/zinc/05/14/20/350051420.db2.gz GBXMSMFYAIDHPM-ARFHVFGLSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1(C)C ZINC000623561222 350051423 /nfs/dbraw/zinc/05/14/23/350051423.db2.gz GBXMSMFYAIDHPM-ARFHVFGLSA-N 3 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1(C)C ZINC000623561222 350051428 /nfs/dbraw/zinc/05/14/28/350051428.db2.gz GBXMSMFYAIDHPM-ARFHVFGLSA-N 3 1 279.472 2.466 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1(C)C ZINC000623561222 350051431 /nfs/dbraw/zinc/05/14/31/350051431.db2.gz GBXMSMFYAIDHPM-ARFHVFGLSA-N 3 1 279.472 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1(C)C ZINC000623561222 350051433 /nfs/dbraw/zinc/05/14/33/350051433.db2.gz GBXMSMFYAIDHPM-ARFHVFGLSA-N 3 1 279.472 2.466 20 0 CEADMP COc1ccc(OCC[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC000090694152 180026246 /nfs/dbraw/zinc/02/62/46/180026246.db2.gz HJVCGVBZAGYRRM-UHFFFAOYSA-N 2 1 292.423 2.396 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000090846399 180044427 /nfs/dbraw/zinc/04/44/27/180044427.db2.gz VKRONKAMWMEBPV-ZENOOKHLSA-N 2 1 292.471 2.363 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000090846399 180044429 /nfs/dbraw/zinc/04/44/29/180044429.db2.gz VKRONKAMWMEBPV-ZENOOKHLSA-N 2 1 292.471 2.363 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccc(F)cc2)[C@H](C)C1 ZINC000090890907 180053781 /nfs/dbraw/zinc/05/37/81/180053781.db2.gz OWFRGCZRGXSJSV-COXVUDFISA-N 2 1 294.414 2.353 20 0 CEADMP Cc1csc([C@H](C)[NH2+]CCCCN2CC[NH+](C)CC2)n1 ZINC000623862449 350129249 /nfs/dbraw/zinc/12/92/49/350129249.db2.gz UKZVOKILRLTGTQ-AWEZNQCLSA-N 2 1 296.484 2.130 20 0 CEADMP CC1(C)CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000090714998 180029629 /nfs/dbraw/zinc/02/96/29/180029629.db2.gz REZUMESBNVUXAZ-CABCVRRESA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000090714998 180029630 /nfs/dbraw/zinc/02/96/30/180029630.db2.gz REZUMESBNVUXAZ-CABCVRRESA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1C ZINC000090720500 180029895 /nfs/dbraw/zinc/02/98/95/180029895.db2.gz JIPLIYWPIGROQW-ZFWWWQNUSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1C ZINC000090720500 180029897 /nfs/dbraw/zinc/02/98/97/180029897.db2.gz JIPLIYWPIGROQW-ZFWWWQNUSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CCCCO1 ZINC000623889830 350135446 /nfs/dbraw/zinc/13/54/46/350135446.db2.gz XKZSGEAFCJWRIC-JKSUJKDBSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@]1(C)CCCO1 ZINC000624124036 350200974 /nfs/dbraw/zinc/20/09/74/350200974.db2.gz VSOCIONUTRZFSN-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000624123253 350201101 /nfs/dbraw/zinc/20/11/01/350201101.db2.gz ISMPALLRIYVOMG-ZBFHGGJFSA-N 2 1 291.439 2.343 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn[nH]c1 ZINC000624213971 350231137 /nfs/dbraw/zinc/23/11/37/350231137.db2.gz LWRUNEHZFUGWHR-ZDUSSCGKSA-N 2 1 250.390 2.154 20 0 CEADMP O[C@H](Cc1ccccc1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000106402752 186114939 /nfs/dbraw/zinc/11/49/39/186114939.db2.gz PZOPPKCMFZTOFC-GOSISDBHSA-N 2 1 288.435 2.150 20 0 CEADMP CC(C)[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000092392563 180375960 /nfs/dbraw/zinc/37/59/60/180375960.db2.gz ATIWHEPRUGVAJO-KRWDZBQOSA-N 2 1 276.424 2.258 20 0 CEADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000107317651 186169250 /nfs/dbraw/zinc/16/92/50/186169250.db2.gz WCQMCGIAWXLFMR-PBHICJAKSA-N 2 1 292.423 2.142 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH+](C)C(C)C)C1 ZINC000110976650 186338550 /nfs/dbraw/zinc/33/85/50/186338550.db2.gz YGUBGCLNERILFO-OAHLLOKOSA-N 2 1 297.487 2.343 20 0 CEADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C[N@H+](C)C(C)C)C1 ZINC000110976650 186338552 /nfs/dbraw/zinc/33/85/52/186338552.db2.gz YGUBGCLNERILFO-OAHLLOKOSA-N 2 1 297.487 2.343 20 0 CEADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC000110976650 186338554 /nfs/dbraw/zinc/33/85/54/186338554.db2.gz YGUBGCLNERILFO-OAHLLOKOSA-N 2 1 297.487 2.343 20 0 CEADMP CCCCOCC[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000337078318 366010208 /nfs/dbraw/zinc/01/02/08/366010208.db2.gz SOHIANLDHSDXSX-IRXDYDNUSA-N 2 1 276.424 2.477 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339774143 215335679 /nfs/dbraw/zinc/33/56/79/215335679.db2.gz DQUROEPFKSGGOP-INIZCTEOSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339774143 215335682 /nfs/dbraw/zinc/33/56/82/215335682.db2.gz DQUROEPFKSGGOP-INIZCTEOSA-N 2 1 277.412 2.473 20 0 CEADMP CCC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccn1 ZINC000629525665 351389886 /nfs/dbraw/zinc/38/98/86/351389886.db2.gz YQGGCIJBOZWDHB-CYBMUJFWSA-N 2 1 263.385 2.020 20 0 CEADMP CCO[C@H](C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000629533802 351397298 /nfs/dbraw/zinc/39/72/98/351397298.db2.gz WLQPZCYNKXEZAX-OWCLPIDISA-N 2 1 266.429 2.408 20 0 CEADMP CCO[C@H](C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000629533802 351397301 /nfs/dbraw/zinc/39/73/01/351397301.db2.gz WLQPZCYNKXEZAX-OWCLPIDISA-N 2 1 266.429 2.408 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1OC ZINC000629394888 351349226 /nfs/dbraw/zinc/34/92/26/351349226.db2.gz NIPHXDXQATYOBB-IPYPFGDCSA-N 2 1 292.423 2.365 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000629406007 351353201 /nfs/dbraw/zinc/35/32/01/351353201.db2.gz HCQZVAFLLQSLDR-XOSAIJSUSA-N 2 1 273.424 2.162 20 0 CEADMP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000629409122 351354896 /nfs/dbraw/zinc/35/48/96/351354896.db2.gz LQYTXCYDQYZDHT-OWCLPIDISA-N 2 1 274.408 2.322 20 0 CEADMP CCC(F)(F)C(C)(C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000629597428 351427761 /nfs/dbraw/zinc/42/77/61/351427761.db2.gz KFPUFFQBDLULBK-GFCCVEGCSA-N 2 1 278.387 2.103 20 0 CEADMP CCC(F)(F)C(C)(C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000629597428 351427765 /nfs/dbraw/zinc/42/77/65/351427765.db2.gz KFPUFFQBDLULBK-GFCCVEGCSA-N 2 1 278.387 2.103 20 0 CEADMP COC1(C[NH2+]CCC[NH2+]Cc2cccnc2)CCCC1 ZINC000629647906 351447225 /nfs/dbraw/zinc/44/72/25/351447225.db2.gz JQWITVGGBUXPOC-UHFFFAOYSA-N 2 1 277.412 2.110 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000629650525 351448317 /nfs/dbraw/zinc/44/83/17/351448317.db2.gz VHTJCBUXUKUKMZ-SWLSCSKDSA-N 2 1 258.365 2.274 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000629650525 351448322 /nfs/dbraw/zinc/44/83/22/351448322.db2.gz VHTJCBUXUKUKMZ-SWLSCSKDSA-N 2 1 258.365 2.274 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1cnc(CC(C)C)s1 ZINC000629654926 351452107 /nfs/dbraw/zinc/45/21/07/351452107.db2.gz ULVWGLCQJWPLNL-UHFFFAOYSA-N 2 1 285.457 2.009 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cnc(CC(C)C)s1 ZINC000629654926 351452110 /nfs/dbraw/zinc/45/21/10/351452110.db2.gz ULVWGLCQJWPLNL-UHFFFAOYSA-N 2 1 285.457 2.009 20 0 CEADMP Cc1cnccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000629549156 351409139 /nfs/dbraw/zinc/40/91/39/351409139.db2.gz QTDJLBFCANPJPJ-ZACQAIPSSA-N 2 1 289.423 2.251 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N[C@@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000629553047 351411020 /nfs/dbraw/zinc/41/10/20/351411020.db2.gz IXVQGLHMUALNIO-ZSYWTGECSA-N 3 1 299.462 2.239 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000629571914 351418704 /nfs/dbraw/zinc/41/87/04/351418704.db2.gz STZJCNRGVUAYCE-GFCCVEGCSA-N 2 1 254.349 2.055 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC000629572179 351419247 /nfs/dbraw/zinc/41/92/47/351419247.db2.gz OGHNRLWPLXAFCT-INIZCTEOSA-N 2 1 280.387 2.371 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCCCC1(C)C ZINC000629572315 351419280 /nfs/dbraw/zinc/41/92/80/351419280.db2.gz QDDOTCISSWSJNT-AWEZNQCLSA-N 2 1 256.434 2.371 20 0 CEADMP O[C@@H](C[NH2+][C@@H]1CCCc2c(F)cccc21)C[NH+]1CCCC1 ZINC000629579201 351420830 /nfs/dbraw/zinc/42/08/30/351420830.db2.gz BQCLCOFJUKBEGE-SUMWQHHRSA-N 2 1 292.398 2.249 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CCO1 ZINC000569103487 299179557 /nfs/dbraw/zinc/17/95/57/299179557.db2.gz IVANBWFGPVGJLW-XHSDSOJGSA-N 2 1 266.429 2.267 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000070359240 363075566 /nfs/dbraw/zinc/07/55/66/363075566.db2.gz BMPRSDOXNFJUOQ-CABCVRRESA-N 2 1 254.418 2.264 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000339830761 215354992 /nfs/dbraw/zinc/35/49/92/215354992.db2.gz VZJGXQSVRXRKMB-HNNXBMFYSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000339830761 215354995 /nfs/dbraw/zinc/35/49/95/215354995.db2.gz VZJGXQSVRXRKMB-HNNXBMFYSA-N 2 1 265.401 2.329 20 0 CEADMP C[NH+](C)CCc1ccc(NC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC000629956943 351553978 /nfs/dbraw/zinc/55/39/78/351553978.db2.gz OBRILDVAISIHTG-UHFFFAOYSA-N 2 1 289.423 2.214 20 0 CEADMP C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000337133876 366034153 /nfs/dbraw/zinc/03/41/53/366034153.db2.gz BEMLTOBNPGAPKS-AEFFLSMTSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000337133876 366034156 /nfs/dbraw/zinc/03/41/56/366034156.db2.gz BEMLTOBNPGAPKS-AEFFLSMTSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000337133876 366034162 /nfs/dbraw/zinc/03/41/62/366034162.db2.gz BEMLTOBNPGAPKS-AEFFLSMTSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H]1CCC[C@@](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)([NH+](C)C)C1 ZINC000131252196 366036026 /nfs/dbraw/zinc/03/60/26/366036026.db2.gz ATKGFTDXIMCIKK-MWDXBVQZSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[C@H](NCc2ccc(OCC3CC3)nc2)CC[N@H+]1C ZINC000131272047 366036643 /nfs/dbraw/zinc/03/66/43/366036643.db2.gz BJLJRRHONAVPGU-CZUORRHYSA-N 2 1 289.423 2.443 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CCN1C ZINC000131272047 366036650 /nfs/dbraw/zinc/03/66/50/366036650.db2.gz BJLJRRHONAVPGU-CZUORRHYSA-N 2 1 289.423 2.443 20 0 CEADMP Cc1nnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000121856498 187001169 /nfs/dbraw/zinc/00/11/69/187001169.db2.gz OKCKFMGQLNGNMJ-UHFFFAOYSA-N 2 1 292.427 2.466 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)COC)c1 ZINC000124007787 187118358 /nfs/dbraw/zinc/11/83/58/187118358.db2.gz DIELHOCUIUIIIR-CYBMUJFWSA-N 2 1 250.386 2.263 20 0 CEADMP Cc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c(F)c1 ZINC000631063970 351945102 /nfs/dbraw/zinc/94/51/02/351945102.db2.gz JIMCQXAQMJQJJR-UHFFFAOYSA-N 2 1 293.430 2.251 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cncn1C ZINC000631196152 352010248 /nfs/dbraw/zinc/01/02/48/352010248.db2.gz NPCIMISASVNNRL-NVXWUHKLSA-N 2 1 298.434 2.278 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cncn1C ZINC000631196152 352010251 /nfs/dbraw/zinc/01/02/51/352010251.db2.gz NPCIMISASVNNRL-NVXWUHKLSA-N 2 1 298.434 2.278 20 0 CEADMP OC[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000631198506 352012775 /nfs/dbraw/zinc/01/27/75/352012775.db2.gz SDWJSSKZVDCZRD-MAEOIBBWSA-N 2 1 288.435 2.054 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC000292088256 198158413 /nfs/dbraw/zinc/15/84/13/198158413.db2.gz GKXXZRJVBVCINY-GOSISDBHSA-N 2 1 286.419 2.192 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC000292088256 198158414 /nfs/dbraw/zinc/15/84/14/198158414.db2.gz GKXXZRJVBVCINY-GOSISDBHSA-N 2 1 286.419 2.192 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC000292088256 198158416 /nfs/dbraw/zinc/15/84/16/198158416.db2.gz GKXXZRJVBVCINY-GOSISDBHSA-N 2 1 286.419 2.192 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(C)n1 ZINC000152413725 188016214 /nfs/dbraw/zinc/01/62/14/188016214.db2.gz HNJQUPSYAWRUKP-RISCZKNCSA-N 2 1 274.412 2.228 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C)n1 ZINC000152413725 188016216 /nfs/dbraw/zinc/01/62/16/188016216.db2.gz HNJQUPSYAWRUKP-RISCZKNCSA-N 2 1 274.412 2.228 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000153730996 188100130 /nfs/dbraw/zinc/10/01/30/188100130.db2.gz GRYNANFSPJDTDW-ZDUSSCGKSA-N 2 1 294.395 2.034 20 0 CEADMP C[N@@H+](Cc1cnn(-c2ccccc2)n1)CC1CC[NH+](C)CC1 ZINC000154734356 188158760 /nfs/dbraw/zinc/15/87/60/188158760.db2.gz IQXVXVGBLOXMHR-UHFFFAOYSA-N 2 1 299.422 2.041 20 0 CEADMP C[N@H+](Cc1cnn(-c2ccccc2)n1)CC1CC[NH+](C)CC1 ZINC000154734356 188158762 /nfs/dbraw/zinc/15/87/62/188158762.db2.gz IQXVXVGBLOXMHR-UHFFFAOYSA-N 2 1 299.422 2.041 20 0 CEADMP COc1cccc(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000154958614 188172927 /nfs/dbraw/zinc/17/29/27/188172927.db2.gz DMICPNKLIZQNKW-HUUCEWRRSA-N 2 1 292.423 2.489 20 0 CEADMP COc1cccc(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000154958614 188172928 /nfs/dbraw/zinc/17/29/28/188172928.db2.gz DMICPNKLIZQNKW-HUUCEWRRSA-N 2 1 292.423 2.489 20 0 CEADMP COc1cccc(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000154958614 188172929 /nfs/dbraw/zinc/17/29/29/188172929.db2.gz DMICPNKLIZQNKW-HUUCEWRRSA-N 2 1 292.423 2.489 20 0 CEADMP COc1cccc(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000154958614 188172931 /nfs/dbraw/zinc/17/29/31/188172931.db2.gz DMICPNKLIZQNKW-HUUCEWRRSA-N 2 1 292.423 2.489 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000155444094 188206484 /nfs/dbraw/zinc/20/64/84/188206484.db2.gz VKCPUHIMZSMMRQ-CXAGYDPISA-N 2 1 289.423 2.465 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000155444094 188206486 /nfs/dbraw/zinc/20/64/86/188206486.db2.gz VKCPUHIMZSMMRQ-CXAGYDPISA-N 2 1 289.423 2.465 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC[C@H]1[NH3+] ZINC000251806083 539992529 /nfs/dbraw/zinc/99/25/29/539992529.db2.gz OIXHHOVFGINOMZ-UKRRQHHQSA-N 2 1 260.381 2.181 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccc(Cl)cc1 ZINC000131775557 366087770 /nfs/dbraw/zinc/08/77/70/366087770.db2.gz KQKAARVKNSXMHI-VXGBXAGGSA-N 2 1 268.788 2.388 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CCn1cccn1 ZINC000157888066 188344992 /nfs/dbraw/zinc/34/49/92/188344992.db2.gz LLIOALYCZBFQSP-CQSZACIVSA-N 2 1 275.400 2.237 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CCSC2)C1 ZINC000494953831 291007075 /nfs/dbraw/zinc/00/70/75/291007075.db2.gz QVFPISNTAIVFGU-HUUCEWRRSA-N 2 1 268.470 2.403 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000494953831 291007076 /nfs/dbraw/zinc/00/70/76/291007076.db2.gz QVFPISNTAIVFGU-HUUCEWRRSA-N 2 1 268.470 2.403 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000494953831 291007077 /nfs/dbraw/zinc/00/70/77/291007077.db2.gz QVFPISNTAIVFGU-HUUCEWRRSA-N 2 1 268.470 2.403 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCSC2)[C@H](C)C1 ZINC000494989045 291009875 /nfs/dbraw/zinc/00/98/75/291009875.db2.gz ZXTJURKHLADSLV-MCIONIFRSA-N 2 1 256.459 2.402 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCSC2)[C@H](C)C1 ZINC000494989045 291009877 /nfs/dbraw/zinc/00/98/77/291009877.db2.gz ZXTJURKHLADSLV-MCIONIFRSA-N 2 1 256.459 2.402 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCSC2)[C@H](C)C1 ZINC000494989045 291009880 /nfs/dbraw/zinc/00/98/80/291009880.db2.gz ZXTJURKHLADSLV-MCIONIFRSA-N 2 1 256.459 2.402 20 0 CEADMP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](CC)CC ZINC000356329753 370661307 /nfs/dbraw/zinc/66/13/07/370661307.db2.gz BAWFVNYEIABNHG-QLFBSQMISA-N 2 1 283.460 2.048 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000309914915 540014763 /nfs/dbraw/zinc/01/47/63/540014763.db2.gz UAOBHXUXTOGDEI-HOCLYGCPSA-N 2 1 262.397 2.262 20 0 CEADMP COC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(F)c(F)c1 ZINC000271738414 191298375 /nfs/dbraw/zinc/29/83/75/191298375.db2.gz URLJURYNKUVVAF-HNNXBMFYSA-N 2 1 295.333 2.447 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ncccc2C(F)(F)F)C1 ZINC000666853062 540023117 /nfs/dbraw/zinc/02/31/17/540023117.db2.gz BGEBUSNMXKKXME-VHSXEESVSA-N 2 1 273.302 2.460 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCc1ccc(Cl)cc1 ZINC000570173985 314029824 /nfs/dbraw/zinc/02/98/24/314029824.db2.gz SVDNHENTEIZJLS-OAHLLOKOSA-N 2 1 284.831 2.127 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1ccc(Cl)cc1 ZINC000570173985 314029827 /nfs/dbraw/zinc/02/98/27/314029827.db2.gz SVDNHENTEIZJLS-OAHLLOKOSA-N 2 1 284.831 2.127 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000570173985 314029830 /nfs/dbraw/zinc/02/98/30/314029830.db2.gz SVDNHENTEIZJLS-OAHLLOKOSA-N 2 1 284.831 2.127 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000570173985 314029833 /nfs/dbraw/zinc/02/98/33/314029833.db2.gz SVDNHENTEIZJLS-OAHLLOKOSA-N 2 1 284.831 2.127 20 0 CEADMP CC[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379651443 540119093 /nfs/dbraw/zinc/11/90/93/540119093.db2.gz UMBLPJZWWQTQGH-HYVNUMGLSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379651443 540119098 /nfs/dbraw/zinc/11/90/98/540119098.db2.gz UMBLPJZWWQTQGH-HYVNUMGLSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000271874052 191383147 /nfs/dbraw/zinc/38/31/47/191383147.db2.gz NKXRSSOFPHXBGQ-ZUOKHONESA-N 2 1 292.448 2.337 20 0 CEADMP CC(C)C1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000381291885 540139294 /nfs/dbraw/zinc/13/92/94/540139294.db2.gz XOHKGOLYPKDTTI-OAHLLOKOSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)C1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000381291885 540139298 /nfs/dbraw/zinc/13/92/98/540139298.db2.gz XOHKGOLYPKDTTI-OAHLLOKOSA-N 2 1 256.434 2.056 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000576049615 314236618 /nfs/dbraw/zinc/23/66/18/314236618.db2.gz GAHALROVCGXYLL-HZPDHXFCSA-N 2 1 282.403 2.425 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000576049615 314236621 /nfs/dbraw/zinc/23/66/21/314236621.db2.gz GAHALROVCGXYLL-HZPDHXFCSA-N 2 1 282.403 2.425 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1CCSC[C@H]1c1ccccc1 ZINC000570055527 299234555 /nfs/dbraw/zinc/23/45/55/299234555.db2.gz YPSKIAUDWDNHIK-CVEARBPZSA-N 2 1 294.464 2.089 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000353527422 283134561 /nfs/dbraw/zinc/13/45/61/283134561.db2.gz DDBBWOBASCLUFO-DCAQKATOSA-N 2 1 250.308 2.401 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451893274 283136355 /nfs/dbraw/zinc/13/63/55/283136355.db2.gz BUYIQXGIQXLWCM-INIZCTEOSA-N 2 1 277.412 2.474 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451893274 283136358 /nfs/dbraw/zinc/13/63/58/283136358.db2.gz BUYIQXGIQXLWCM-INIZCTEOSA-N 2 1 277.412 2.474 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451906238 283139637 /nfs/dbraw/zinc/13/96/37/283139637.db2.gz LCYCOISYUPPUAF-UPJWGTAASA-N 2 1 294.361 2.106 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451906238 283139639 /nfs/dbraw/zinc/13/96/39/283139639.db2.gz LCYCOISYUPPUAF-UPJWGTAASA-N 2 1 294.361 2.106 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451906238 283139641 /nfs/dbraw/zinc/13/96/41/283139641.db2.gz LCYCOISYUPPUAF-UPJWGTAASA-N 2 1 294.361 2.106 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451906238 283139643 /nfs/dbraw/zinc/13/96/43/283139643.db2.gz LCYCOISYUPPUAF-UPJWGTAASA-N 2 1 294.361 2.106 20 0 CEADMP CC(C)OCCOC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000451950432 283150105 /nfs/dbraw/zinc/15/01/05/283150105.db2.gz HFZMNVYZPCGGIE-INIZCTEOSA-N 2 1 298.471 2.377 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1F ZINC000163892589 540228566 /nfs/dbraw/zinc/22/85/66/540228566.db2.gz JCFZZDHBXHMZSO-YPMHNXCESA-N 2 1 266.360 2.251 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1F ZINC000163892589 540228567 /nfs/dbraw/zinc/22/85/67/540228567.db2.gz JCFZZDHBXHMZSO-YPMHNXCESA-N 2 1 266.360 2.251 20 0 CEADMP CCn1nc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000414925747 540247578 /nfs/dbraw/zinc/24/75/78/540247578.db2.gz MAIYMWJAXOAAPR-OLZOCXBDSA-N 2 1 272.396 2.416 20 0 CEADMP COc1ccc([C@@H](C[NH2+]CCC[NH3+])N2CCCCC2)cc1 ZINC000415088527 540249727 /nfs/dbraw/zinc/24/97/27/540249727.db2.gz VGDTXPGANGZANH-QGZVFWFLSA-N 2 1 291.439 2.161 20 0 CEADMP [NH3+]CCC[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000415084120 540249779 /nfs/dbraw/zinc/24/97/79/540249779.db2.gz RAESMIDEHBMAOD-UHFFFAOYSA-N 2 1 275.327 2.451 20 0 CEADMP CC[NH+](CC)CCCN(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000338283578 366273567 /nfs/dbraw/zinc/27/35/67/366273567.db2.gz SDAAGOWKIPJAOM-HZPDHXFCSA-N 2 1 269.477 2.380 20 0 CEADMP CC[NH+](CC)CCCN1CCC[N@H+](C(C)C)CC1 ZINC000338303444 366284560 /nfs/dbraw/zinc/28/45/60/366284560.db2.gz GTSLNTQHIGUENV-UHFFFAOYSA-N 2 1 255.450 2.134 20 0 CEADMP CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000496134720 291110995 /nfs/dbraw/zinc/11/09/95/291110995.db2.gz SWILWRCDUDSCTF-GJZGRUSLSA-N 2 1 297.443 2.071 20 0 CEADMP CCNC(=O)OC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000496134720 291110997 /nfs/dbraw/zinc/11/09/97/291110997.db2.gz SWILWRCDUDSCTF-GJZGRUSLSA-N 2 1 297.443 2.071 20 0 CEADMP CCNC(=O)OC[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000496134720 291110998 /nfs/dbraw/zinc/11/09/98/291110998.db2.gz SWILWRCDUDSCTF-GJZGRUSLSA-N 2 1 297.443 2.071 20 0 CEADMP CCNC(=O)OC[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000496134720 291111002 /nfs/dbraw/zinc/11/10/02/291111002.db2.gz SWILWRCDUDSCTF-GJZGRUSLSA-N 2 1 297.443 2.071 20 0 CEADMP CC[NH+](CC)CCC[N@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000338395208 366337567 /nfs/dbraw/zinc/33/75/67/366337567.db2.gz ZSGNMIZGVNQJTF-MRXNPFEDSA-N 2 1 291.439 2.267 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000338395208 366337577 /nfs/dbraw/zinc/33/75/77/366337577.db2.gz ZSGNMIZGVNQJTF-MRXNPFEDSA-N 2 1 291.439 2.267 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000575813057 366363291 /nfs/dbraw/zinc/36/32/91/366363291.db2.gz UZCRRBQHONCVCQ-KRWDZBQOSA-N 2 1 290.451 2.444 20 0 CEADMP CCOc1c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(C)nn1CC(C)C ZINC000570332405 299254374 /nfs/dbraw/zinc/25/43/74/299254374.db2.gz POSSRTMFHMFWCE-STQMWFEESA-N 2 1 296.459 2.462 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@@H]2CCOC2)cc1 ZINC000093839688 538789198 /nfs/dbraw/zinc/78/91/98/538789198.db2.gz JSJYQTZEZMRMJQ-INIZCTEOSA-N 2 1 292.423 2.095 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@](C)(CO)Cc1ccccc1 ZINC000357791481 540368378 /nfs/dbraw/zinc/36/83/78/540368378.db2.gz OFNUAKZTJYGFCU-NXHRZFHOSA-N 2 1 290.451 2.158 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414318571 236335086 /nfs/dbraw/zinc/33/50/86/236335086.db2.gz XZCQRIPNYZDNCZ-GKLJAUDBSA-N 2 1 294.414 2.220 20 0 CEADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CC[C@H]2CCOC2)cc1 ZINC000414892111 540378467 /nfs/dbraw/zinc/37/84/67/540378467.db2.gz IYYSZPYUJVJXRC-JQFCIGGWSA-N 2 1 292.398 2.287 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000349122582 283334573 /nfs/dbraw/zinc/33/45/73/283334573.db2.gz ZFGMEAUWPFTEGW-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000349122582 283334574 /nfs/dbraw/zinc/33/45/74/283334574.db2.gz ZFGMEAUWPFTEGW-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000349122582 283334575 /nfs/dbraw/zinc/33/45/75/283334575.db2.gz ZFGMEAUWPFTEGW-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP COCC[N@H+]1CC[C@H](Nc2ccc(C[NH+](C)C)cc2F)C1 ZINC000414494588 236387133 /nfs/dbraw/zinc/38/71/33/236387133.db2.gz FMJJIQOHSIEYKB-AWEZNQCLSA-N 2 1 295.402 2.020 20 0 CEADMP C[C@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)CC[N@H+]1C ZINC000335754330 291145346 /nfs/dbraw/zinc/14/53/46/291145346.db2.gz DHLNZDXTDXFYNX-DZGCQCFKSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)CC[N@H+]1C ZINC000361810514 291145812 /nfs/dbraw/zinc/14/58/12/291145812.db2.gz FJDZOYXURCAZBF-UONOGXRCSA-N 2 1 254.418 2.002 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000577742927 366390400 /nfs/dbraw/zinc/39/04/00/366390400.db2.gz KAQCXOJLLSEATN-HNNXBMFYSA-N 2 1 273.384 2.303 20 0 CEADMP Cn1cncc1CCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000577742927 366390402 /nfs/dbraw/zinc/39/04/02/366390402.db2.gz KAQCXOJLLSEATN-HNNXBMFYSA-N 2 1 273.384 2.303 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000338566979 366416121 /nfs/dbraw/zinc/41/61/21/366416121.db2.gz VKDWZPDVGJXKFI-UHFFFAOYSA-N 2 1 281.400 2.103 20 0 CEADMP COC(=O)C(C)(C)CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000338566979 366416125 /nfs/dbraw/zinc/41/61/25/366416125.db2.gz VKDWZPDVGJXKFI-UHFFFAOYSA-N 2 1 281.400 2.103 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(Br)cn1 ZINC000578013393 366430041 /nfs/dbraw/zinc/43/00/41/366430041.db2.gz OVWFISWVMUIFQG-DTWKUNHWSA-N 2 1 272.190 2.060 20 0 CEADMP Cc1ncc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)n1C ZINC000570828054 299280720 /nfs/dbraw/zinc/28/07/20/299280720.db2.gz UDRQMGBKANRBTJ-CQSZACIVSA-N 2 1 278.444 2.473 20 0 CEADMP c1[nH]nc(-c2cccnc2)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578507248 366503462 /nfs/dbraw/zinc/50/34/62/366503462.db2.gz JGYNIAHSMMQPEU-QGZVFWFLSA-N 2 1 297.406 2.047 20 0 CEADMP c1[nH]nc(-c2cccnc2)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578507248 366503466 /nfs/dbraw/zinc/50/34/66/366503466.db2.gz JGYNIAHSMMQPEU-QGZVFWFLSA-N 2 1 297.406 2.047 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000578626224 366523123 /nfs/dbraw/zinc/52/31/23/366523123.db2.gz FZYIYEMZLZJNPM-VHSXEESVSA-N 2 1 280.803 2.442 20 0 CEADMP COC(CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)OC ZINC000136767584 366525462 /nfs/dbraw/zinc/52/54/62/366525462.db2.gz QGRZTLNQSQEWBO-LSDHHAIUSA-N 2 1 284.444 2.192 20 0 CEADMP COC(C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)OC ZINC000136767584 366525467 /nfs/dbraw/zinc/52/54/67/366525467.db2.gz QGRZTLNQSQEWBO-LSDHHAIUSA-N 2 1 284.444 2.192 20 0 CEADMP COC(C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)OC ZINC000136767584 366525472 /nfs/dbraw/zinc/52/54/72/366525472.db2.gz QGRZTLNQSQEWBO-LSDHHAIUSA-N 2 1 284.444 2.192 20 0 CEADMP COC(C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)OC ZINC000136767584 366525475 /nfs/dbraw/zinc/52/54/75/366525475.db2.gz QGRZTLNQSQEWBO-LSDHHAIUSA-N 2 1 284.444 2.192 20 0 CEADMP COC(C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)OC ZINC000136767584 366525480 /nfs/dbraw/zinc/52/54/80/366525480.db2.gz QGRZTLNQSQEWBO-LSDHHAIUSA-N 2 1 284.444 2.192 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000275787926 540422386 /nfs/dbraw/zinc/42/23/86/540422386.db2.gz QYKVLTZGKODBEO-PMPSAXMXSA-N 2 1 289.423 2.066 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000496894849 291181523 /nfs/dbraw/zinc/18/15/23/291181523.db2.gz XFSPEGLIXRGIJO-IAQYHMDHSA-N 2 1 289.379 2.031 20 0 CEADMP CCn1c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nc2ccccc21 ZINC000666852251 540508851 /nfs/dbraw/zinc/50/88/51/540508851.db2.gz VELIUVQSKICUER-CHWSQXEVSA-N 2 1 272.396 2.416 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000668159133 540575985 /nfs/dbraw/zinc/57/59/85/540575985.db2.gz LOOHNKXGMMNUMV-GFCCVEGCSA-N 2 1 260.372 2.394 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccccc1C[NH+](C)C ZINC000571139115 299294648 /nfs/dbraw/zinc/29/46/48/299294648.db2.gz RMRBGSQESVXFQZ-CQSZACIVSA-N 2 1 291.439 2.208 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccccc1C ZINC000578717573 366537468 /nfs/dbraw/zinc/53/74/68/366537468.db2.gz ZRGUKGIQSHQFGS-DOTOQJQBSA-N 2 1 276.424 2.445 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccccc1C ZINC000578717573 366537477 /nfs/dbraw/zinc/53/74/77/366537477.db2.gz ZRGUKGIQSHQFGS-DOTOQJQBSA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000578717573 366537484 /nfs/dbraw/zinc/53/74/84/366537484.db2.gz ZRGUKGIQSHQFGS-DOTOQJQBSA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000578717573 366537492 /nfs/dbraw/zinc/53/74/92/366537492.db2.gz ZRGUKGIQSHQFGS-DOTOQJQBSA-N 2 1 276.424 2.445 20 0 CEADMP CCc1nc(NCC[N@H+](C)C2CCCCC2)cc(C)[nH+]1 ZINC000341795391 216107515 /nfs/dbraw/zinc/10/75/15/216107515.db2.gz GMJHQNZSVWZMDB-UHFFFAOYSA-N 2 1 276.428 2.446 20 0 CEADMP CCc1nc(NCC[N@@H+](C)C2CCCCC2)cc(C)[nH+]1 ZINC000341795391 216107518 /nfs/dbraw/zinc/10/75/18/216107518.db2.gz GMJHQNZSVWZMDB-UHFFFAOYSA-N 2 1 276.428 2.446 20 0 CEADMP Cn1c2cc(F)ccc2nc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000571236171 299301173 /nfs/dbraw/zinc/30/11/73/299301173.db2.gz UPDLZYSBBGJGCP-LLVKDONJSA-N 2 1 288.370 2.031 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](Cn1cccn1)C(C)C ZINC000297791472 200281185 /nfs/dbraw/zinc/28/11/85/200281185.db2.gz PYXASTBOMBIWPZ-GDBMZVCRSA-N 2 1 289.427 2.339 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000151085545 366617943 /nfs/dbraw/zinc/61/79/43/366617943.db2.gz MYHIRZVMZCJNIZ-HRCADAONSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000151085545 366617948 /nfs/dbraw/zinc/61/79/48/366617948.db2.gz MYHIRZVMZCJNIZ-HRCADAONSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000151085545 366617954 /nfs/dbraw/zinc/61/79/54/366617954.db2.gz MYHIRZVMZCJNIZ-HRCADAONSA-N 3 1 281.488 2.427 20 0 CEADMP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H](C[NH3+])C1CC1 ZINC000579341911 366628659 /nfs/dbraw/zinc/62/86/59/366628659.db2.gz DUUXFUZQKSBUSC-GJZGRUSLSA-N 2 1 260.381 2.400 20 0 CEADMP C[N@@H+](C[C@@H]1CCCO1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000339060024 366635709 /nfs/dbraw/zinc/63/57/09/366635709.db2.gz MJUDMQSLMGNMPT-KRWDZBQOSA-N 2 1 289.423 2.409 20 0 CEADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000339066889 366638433 /nfs/dbraw/zinc/63/84/33/366638433.db2.gz ITVXWPZLWPPJNZ-ARFHVFGLSA-N 2 1 288.439 2.285 20 0 CEADMP O=C1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CN1c1ccccc1 ZINC000339069565 366640723 /nfs/dbraw/zinc/64/07/23/366640723.db2.gz XHGIYMHFXMZYRU-ZOBUZTSGSA-N 2 1 299.418 2.008 20 0 CEADMP O=C1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CN1c1ccccc1 ZINC000339069565 366640726 /nfs/dbraw/zinc/64/07/26/366640726.db2.gz XHGIYMHFXMZYRU-ZOBUZTSGSA-N 2 1 299.418 2.008 20 0 CEADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000341879817 216135636 /nfs/dbraw/zinc/13/56/36/216135636.db2.gz OYRDWAARMPSKLS-CVEARBPZSA-N 2 1 290.455 2.186 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2ccccn2)C1 ZINC000081516921 363723684 /nfs/dbraw/zinc/72/36/84/363723684.db2.gz LJEXTFGANFRKIZ-OAHLLOKOSA-N 2 1 261.413 2.288 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccccn2)C1 ZINC000081516921 363723688 /nfs/dbraw/zinc/72/36/88/363723688.db2.gz LJEXTFGANFRKIZ-OAHLLOKOSA-N 2 1 261.413 2.288 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000081516921 363723689 /nfs/dbraw/zinc/72/36/89/363723689.db2.gz LJEXTFGANFRKIZ-OAHLLOKOSA-N 2 1 261.413 2.288 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000081516921 363723691 /nfs/dbraw/zinc/72/36/91/363723691.db2.gz LJEXTFGANFRKIZ-OAHLLOKOSA-N 2 1 261.413 2.288 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000178233321 189099281 /nfs/dbraw/zinc/09/92/81/189099281.db2.gz VCWUDPUFTNOYIN-CPUCHLNUSA-N 2 1 288.435 2.482 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178705555 189138910 /nfs/dbraw/zinc/13/89/10/189138910.db2.gz PCXBMKUQOBVWAJ-KBPBESRZSA-N 2 1 294.443 2.064 20 0 CEADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCOC1 ZINC000675494850 540847289 /nfs/dbraw/zinc/84/72/89/540847289.db2.gz FCQHOXUWHZGEJU-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCOC1 ZINC000675494850 540847291 /nfs/dbraw/zinc/84/72/91/540847291.db2.gz FCQHOXUWHZGEJU-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCOC1 ZINC000675494850 540847295 /nfs/dbraw/zinc/84/72/95/540847295.db2.gz FCQHOXUWHZGEJU-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000675495582 540847786 /nfs/dbraw/zinc/84/77/86/540847786.db2.gz GKQVCCFMCNMNHJ-CVEARBPZSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@H]([NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCOCC1 ZINC000675749110 540871095 /nfs/dbraw/zinc/87/10/95/540871095.db2.gz QTRZUWYKSJPZHM-KFWWJZLASA-N 2 1 268.445 2.369 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCN2Cc3ccccc3C2)CC[N@H+]1C ZINC000675780616 540873181 /nfs/dbraw/zinc/87/31/81/540873181.db2.gz RSVFQQRQIIIUAG-YOEHRIQHSA-N 2 1 273.424 2.075 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000675925637 540883451 /nfs/dbraw/zinc/88/34/51/540883451.db2.gz KHZLXVXRGCPUTR-WBVHZDCISA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000675925637 540883453 /nfs/dbraw/zinc/88/34/53/540883453.db2.gz KHZLXVXRGCPUTR-WBVHZDCISA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccoc1 ZINC000676056406 540893895 /nfs/dbraw/zinc/89/38/95/540893895.db2.gz FFALEYZQBMFPPR-ZDUSSCGKSA-N 2 1 289.379 2.466 20 0 CEADMP COCCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179636757 189208853 /nfs/dbraw/zinc/20/88/53/189208853.db2.gz IDXASIIRACRMHX-HNNXBMFYSA-N 2 1 292.423 2.095 20 0 CEADMP COCCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179636757 189208854 /nfs/dbraw/zinc/20/88/54/189208854.db2.gz IDXASIIRACRMHX-HNNXBMFYSA-N 2 1 292.423 2.095 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H](C)C(C)(C)C)CC1 ZINC000675883446 540878731 /nfs/dbraw/zinc/87/87/31/540878731.db2.gz AZLFPCYPENKEMO-CYBMUJFWSA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)(O)C[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180165092 189240735 /nfs/dbraw/zinc/24/07/35/189240735.db2.gz HGBOWTYHWZEXHF-ULQDDVLXSA-N 2 1 288.435 2.258 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3nccn32)[C@H](C)C1 ZINC000180415433 189254138 /nfs/dbraw/zinc/25/41/38/189254138.db2.gz NBJZKYNEYOZTSM-ZBFHGGJFSA-N 2 1 286.423 2.496 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3nccn32)[C@H](C)C1 ZINC000180415433 189254139 /nfs/dbraw/zinc/25/41/39/189254139.db2.gz NBJZKYNEYOZTSM-ZBFHGGJFSA-N 2 1 286.423 2.496 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3nccn32)[C@H](C)C1 ZINC000180415433 189254140 /nfs/dbraw/zinc/25/41/40/189254140.db2.gz NBJZKYNEYOZTSM-ZBFHGGJFSA-N 2 1 286.423 2.496 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3nccn32)[C@H](C)C1 ZINC000180415433 189254141 /nfs/dbraw/zinc/25/41/41/189254141.db2.gz NBJZKYNEYOZTSM-ZBFHGGJFSA-N 2 1 286.423 2.496 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000180680502 189269409 /nfs/dbraw/zinc/26/94/09/189269409.db2.gz NESDLCCNSYJJBI-RYUDHWBXSA-N 2 1 284.350 2.416 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)CC[N@H+]1C ZINC000180680502 189269410 /nfs/dbraw/zinc/26/94/10/189269410.db2.gz NESDLCCNSYJJBI-RYUDHWBXSA-N 2 1 284.350 2.416 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CCOC2)CC1 ZINC000677720326 541037248 /nfs/dbraw/zinc/03/72/48/541037248.db2.gz SNKRSODCURYGIW-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CCOC2)CC1 ZINC000677720326 541037251 /nfs/dbraw/zinc/03/72/51/541037251.db2.gz SNKRSODCURYGIW-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC[C@@H](F)C2)s1 ZINC000342290213 216292438 /nfs/dbraw/zinc/29/24/38/216292438.db2.gz WZKHWCZZWGHHIT-NXEZZACHSA-N 2 1 257.378 2.185 20 0 CEADMP Cc1[nH+]ccn1CCCN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000677818639 541046416 /nfs/dbraw/zinc/04/64/16/541046416.db2.gz FHSWQAJUTYKCKL-HNNXBMFYSA-N 2 1 264.417 2.044 20 0 CEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(-n2cncn2)cc1 ZINC000181921731 189310182 /nfs/dbraw/zinc/31/01/82/189310182.db2.gz XDXDIKUSYUJTNS-GDBMZVCRSA-N 2 1 299.422 2.402 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000011888816 361367524 /nfs/dbraw/zinc/36/75/24/361367524.db2.gz KSGBWLYROPORIN-OAHLLOKOSA-N 2 1 262.397 2.169 20 0 CEADMP Cc1nc([C@@H]2CCCCN2CCn2cc[nH+]c2C)no1 ZINC000677981011 541064429 /nfs/dbraw/zinc/06/44/29/541064429.db2.gz QQRPXHDCRUPOPB-ZDUSSCGKSA-N 2 1 275.356 2.110 20 0 CEADMP CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1 ZINC000154238884 366763812 /nfs/dbraw/zinc/76/38/12/366763812.db2.gz OSRPVCMXAFYORR-CABCVRRESA-N 2 1 250.386 2.040 20 0 CEADMP C[C@@H]([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)C1CCCCC1 ZINC000154311460 366767281 /nfs/dbraw/zinc/76/72/81/366767281.db2.gz WIRZDRWKNHLVEK-YDHLFZDLSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000340124865 366778878 /nfs/dbraw/zinc/77/88/78/366778878.db2.gz HHRMQKDOVPHOIG-OWCLPIDISA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000638699948 370695463 /nfs/dbraw/zinc/69/54/63/370695463.db2.gz DKWUROHDVPRPEF-MGLUKCQKSA-N 2 1 293.455 2.039 20 0 CEADMP c1ccc(C[N@H+]2C[C@H]3CN(Cc4cnccn4)C[C@H]3C2)cc1 ZINC000581771658 366821703 /nfs/dbraw/zinc/82/17/03/366821703.db2.gz DUXMXEJHKMRARS-CALCHBBNSA-N 2 1 294.402 2.040 20 0 CEADMP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000638699948 370695465 /nfs/dbraw/zinc/69/54/65/370695465.db2.gz DKWUROHDVPRPEF-MGLUKCQKSA-N 2 1 293.455 2.039 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)NC)cc2)CC1 ZINC000020093155 361578618 /nfs/dbraw/zinc/57/86/18/361578618.db2.gz NLJXRXQIGLUGFN-UHFFFAOYSA-N 2 1 289.423 2.010 20 0 CEADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000571843117 299331379 /nfs/dbraw/zinc/33/13/79/299331379.db2.gz RUORKKVPRKHCRN-XBVQOTNRSA-N 2 1 282.472 2.492 20 0 CEADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000571843117 299331383 /nfs/dbraw/zinc/33/13/83/299331383.db2.gz RUORKKVPRKHCRN-XBVQOTNRSA-N 2 1 282.472 2.492 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(N(C)C)nc2)C1 ZINC000678283192 541109967 /nfs/dbraw/zinc/10/99/67/541109967.db2.gz DEEFZCVWBUTJNH-MRXNPFEDSA-N 2 1 290.455 2.311 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000678412564 541131462 /nfs/dbraw/zinc/13/14/62/541131462.db2.gz XIVWWKYQVQCRET-AWEZNQCLSA-N 2 1 279.428 2.317 20 0 CEADMP CCC1(O)CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000678549383 541148303 /nfs/dbraw/zinc/14/83/03/541148303.db2.gz VCFZNSNIBMBYMT-LQULJDIASA-N 2 1 254.418 2.142 20 0 CEADMP CCC1(O)CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000678549383 541148305 /nfs/dbraw/zinc/14/83/05/541148305.db2.gz VCFZNSNIBMBYMT-LQULJDIASA-N 2 1 254.418 2.142 20 0 CEADMP COc1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1O ZINC000678587650 541152638 /nfs/dbraw/zinc/15/26/38/541152638.db2.gz SWTTZQUFKCCSOX-OCCSQVGLSA-N 2 1 278.396 2.016 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cn(C)nc1C ZINC000087406678 363853447 /nfs/dbraw/zinc/85/34/47/363853447.db2.gz MRNSLJHWOBEICV-GFCCVEGCSA-N 2 1 252.406 2.111 20 0 CEADMP CCc1cc(NCC2CC[NH+](CC)CC2)nc(C)[nH+]1 ZINC000088760318 363921453 /nfs/dbraw/zinc/92/14/53/363921453.db2.gz XTQZUYCVXLBQDU-UHFFFAOYSA-N 2 1 262.401 2.491 20 0 CEADMP CCc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000088760218 363921928 /nfs/dbraw/zinc/92/19/28/363921928.db2.gz KQRPTAUNOXVTBW-ZDUSSCGKSA-N 2 1 262.401 2.490 20 0 CEADMP CCc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000088760218 363921932 /nfs/dbraw/zinc/92/19/32/363921932.db2.gz KQRPTAUNOXVTBW-ZDUSSCGKSA-N 2 1 262.401 2.490 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000089427700 363965240 /nfs/dbraw/zinc/96/52/40/363965240.db2.gz WKJHJDRCPAEWLE-KBPBESRZSA-N 2 1 297.443 2.070 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000089427700 363965242 /nfs/dbraw/zinc/96/52/42/363965242.db2.gz WKJHJDRCPAEWLE-KBPBESRZSA-N 2 1 297.443 2.070 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000089427700 363965243 /nfs/dbraw/zinc/96/52/43/363965243.db2.gz WKJHJDRCPAEWLE-KBPBESRZSA-N 2 1 297.443 2.070 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000089427700 363965244 /nfs/dbraw/zinc/96/52/44/363965244.db2.gz WKJHJDRCPAEWLE-KBPBESRZSA-N 2 1 297.443 2.070 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000089458037 363969788 /nfs/dbraw/zinc/96/97/88/363969788.db2.gz UFAKDVXLZDMKDX-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP Clc1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)o1 ZINC000334648562 364131756 /nfs/dbraw/zinc/13/17/56/364131756.db2.gz UPRXOPGZJLAIOD-QMMMGPOBSA-N 2 1 251.717 2.303 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000237505309 370727079 /nfs/dbraw/zinc/72/70/79/370727079.db2.gz DLHPHMBQOREEBP-QLFBSQMISA-N 2 1 295.471 2.001 20 0 CEADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC000638787827 370751530 /nfs/dbraw/zinc/75/15/30/370751530.db2.gz JJBYSODPRFVXKN-GOEBONIOSA-N 2 1 268.445 2.369 20 0 CEADMP COc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])c(OC)c1 ZINC000093872931 364236727 /nfs/dbraw/zinc/23/67/27/364236727.db2.gz MIBSFDBCPSBJIF-UHFFFAOYSA-N 2 1 266.385 2.121 20 0 CEADMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])c(OC)c1 ZINC000093872931 364236728 /nfs/dbraw/zinc/23/67/28/364236728.db2.gz MIBSFDBCPSBJIF-UHFFFAOYSA-N 2 1 266.385 2.121 20 0 CEADMP C[N@@H+](CCOc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC000094024622 364247897 /nfs/dbraw/zinc/24/78/97/364247897.db2.gz NULUQVYZQICDIQ-UHFFFAOYSA-N 2 1 266.360 2.136 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000093770789 364225221 /nfs/dbraw/zinc/22/52/21/364225221.db2.gz HOSOSGSKUJEYEI-CQSZACIVSA-N 2 1 292.471 2.319 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000093770789 364225222 /nfs/dbraw/zinc/22/52/22/364225222.db2.gz HOSOSGSKUJEYEI-CQSZACIVSA-N 2 1 292.471 2.319 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000093770789 364225224 /nfs/dbraw/zinc/22/52/24/364225224.db2.gz HOSOSGSKUJEYEI-CQSZACIVSA-N 2 1 292.471 2.319 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000093770789 364225225 /nfs/dbraw/zinc/22/52/25/364225225.db2.gz HOSOSGSKUJEYEI-CQSZACIVSA-N 2 1 292.471 2.319 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493893284 541353556 /nfs/dbraw/zinc/35/35/56/541353556.db2.gz DUVVHLBUAHPEFT-LJISPDSOSA-N 2 1 266.429 2.264 20 0 CEADMP FC1(F)CC[C@H](C[N@H+]2CC[C@H](CN3CCOCC3)C2)C1 ZINC000340292350 366837803 /nfs/dbraw/zinc/83/78/03/366837803.db2.gz UAUFZEBZBALOPB-UONOGXRCSA-N 2 1 288.382 2.076 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)OCC)CC1 ZINC000101726815 364571470 /nfs/dbraw/zinc/57/14/70/364571470.db2.gz LDGXRYOYZMJRFO-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)OCC)CC1 ZINC000101726815 364571471 /nfs/dbraw/zinc/57/14/71/364571471.db2.gz LDGXRYOYZMJRFO-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000572106349 299346386 /nfs/dbraw/zinc/34/63/86/299346386.db2.gz SLSJOGGTWYNTGF-IMRBUKKESA-N 2 1 252.402 2.159 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335634032 212349227 /nfs/dbraw/zinc/34/92/27/212349227.db2.gz LTDOPCMDFRVMKI-CVEARBPZSA-N 2 1 298.434 2.464 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000113513958 364901111 /nfs/dbraw/zinc/90/11/11/364901111.db2.gz ODEOYBQMCTZPAQ-INIZCTEOSA-N 2 1 284.407 2.256 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000113512292 364901650 /nfs/dbraw/zinc/90/16/50/364901650.db2.gz AWQSNVFORZCCQJ-AWEZNQCLSA-N 2 1 280.387 2.478 20 0 CEADMP COC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CCCC1 ZINC000335752927 364932645 /nfs/dbraw/zinc/93/26/45/364932645.db2.gz ZODGUZAAFHMPER-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP CC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCOCC1 ZINC000680494296 541419440 /nfs/dbraw/zinc/41/94/40/541419440.db2.gz MUSMIGRIAIIHBH-INIZCTEOSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2CC=CCC2)CCN1C1CC[NH+](C)CC1 ZINC000335998297 365270094 /nfs/dbraw/zinc/27/00/94/365270094.db2.gz WCPOVXFGUBOWKP-IRXDYDNUSA-N 2 1 291.483 2.443 20 0 CEADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cncs2)C1 ZINC000335998266 365270627 /nfs/dbraw/zinc/27/06/27/365270627.db2.gz SJDFYDHPKYVDOT-AAEUAGOBSA-N 2 1 251.399 2.059 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cncs2)C1 ZINC000335998266 365270631 /nfs/dbraw/zinc/27/06/31/365270631.db2.gz SJDFYDHPKYVDOT-AAEUAGOBSA-N 2 1 251.399 2.059 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cncs2)C1 ZINC000335998266 365270634 /nfs/dbraw/zinc/27/06/34/365270634.db2.gz SJDFYDHPKYVDOT-AAEUAGOBSA-N 2 1 251.399 2.059 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cncs2)C1 ZINC000335998266 365270637 /nfs/dbraw/zinc/27/06/37/365270637.db2.gz SJDFYDHPKYVDOT-AAEUAGOBSA-N 2 1 251.399 2.059 20 0 CEADMP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@@H]1[NH3+] ZINC000336055514 365347665 /nfs/dbraw/zinc/34/76/65/365347665.db2.gz IESJHFYMSRMSJK-ABAIWWIYSA-N 2 1 288.370 2.385 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@@H]1[NH3+] ZINC000336055514 365347671 /nfs/dbraw/zinc/34/76/71/365347671.db2.gz IESJHFYMSRMSJK-ABAIWWIYSA-N 2 1 288.370 2.385 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)CC[C@H]1[NH3+] ZINC000336055897 365348552 /nfs/dbraw/zinc/34/85/52/365348552.db2.gz YWYPKTHIPCLWBJ-XJKSGUPXSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@H](CC[NH2+][C@H](C)c1cn[nH]c1)[NH+]1CCCCC1 ZINC000340516429 366916076 /nfs/dbraw/zinc/91/60/76/366916076.db2.gz IFJJWNNFSUCNHK-CHWSQXEVSA-N 2 1 250.390 2.325 20 0 CEADMP C[N@H+](CCOc1cccc(Cl)c1)[C@H](CN)C1CC1 ZINC000160039859 366966808 /nfs/dbraw/zinc/96/68/08/366966808.db2.gz RRNFWICNCFJZPN-CQSZACIVSA-N 2 1 268.788 2.388 20 0 CEADMP C[N@@H+](CCOc1cccc(Cl)c1)[C@H](CN)C1CC1 ZINC000160039859 366966811 /nfs/dbraw/zinc/96/68/11/366966811.db2.gz RRNFWICNCFJZPN-CQSZACIVSA-N 2 1 268.788 2.388 20 0 CEADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c(C)c1 ZINC000582959801 366982371 /nfs/dbraw/zinc/98/23/71/366982371.db2.gz NUNUOBWEGJHGMY-QAPCUYQASA-N 2 1 290.451 2.279 20 0 CEADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c(C)c1 ZINC000582959801 366982376 /nfs/dbraw/zinc/98/23/76/366982376.db2.gz NUNUOBWEGJHGMY-QAPCUYQASA-N 2 1 290.451 2.279 20 0 CEADMP C[C@H]([NH2+][C@@H]1COc2ccc(F)cc21)[C@H]1CCC[NH2+]C1 ZINC000583806501 367100300 /nfs/dbraw/zinc/10/03/00/367100300.db2.gz MUNDWOHMBBFUSC-COPLHBTASA-N 2 1 264.344 2.237 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341046366 367146851 /nfs/dbraw/zinc/14/68/51/367146851.db2.gz BBWPVOUNUOSNRW-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1cnc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)n1C ZINC000341088223 367166473 /nfs/dbraw/zinc/16/64/73/367166473.db2.gz GDVQAWNXGVLHBZ-AWEZNQCLSA-N 2 1 278.444 2.473 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Oc2cccnc2)C1 ZINC000245627517 370851878 /nfs/dbraw/zinc/85/18/78/370851878.db2.gz PETQTWYPKMTZLL-GOEBONIOSA-N 2 1 275.396 2.019 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Oc2cccnc2)C1 ZINC000245627517 370851881 /nfs/dbraw/zinc/85/18/81/370851881.db2.gz PETQTWYPKMTZLL-GOEBONIOSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000245627517 370851885 /nfs/dbraw/zinc/85/18/85/370851885.db2.gz PETQTWYPKMTZLL-GOEBONIOSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000245627517 370851886 /nfs/dbraw/zinc/85/18/86/370851886.db2.gz PETQTWYPKMTZLL-GOEBONIOSA-N 2 1 275.396 2.019 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(F)cc3)CC[C@@H]21 ZINC000162803079 367192509 /nfs/dbraw/zinc/19/25/09/367192509.db2.gz BHXCZCYSKMZCBH-PVAVHDDUSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc(F)cc3)CC[C@@H]21 ZINC000162803079 367192516 /nfs/dbraw/zinc/19/25/16/367192516.db2.gz BHXCZCYSKMZCBH-PVAVHDDUSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3)CC[C@@H]21 ZINC000162803079 367192523 /nfs/dbraw/zinc/19/25/23/367192523.db2.gz BHXCZCYSKMZCBH-PVAVHDDUSA-N 2 1 292.398 2.275 20 0 CEADMP Cc1cnn([C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000245600941 370845676 /nfs/dbraw/zinc/84/56/76/370845676.db2.gz IVKNYMPTIPRPKU-CVEARBPZSA-N 2 1 276.428 2.313 20 0 CEADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341287868 367268086 /nfs/dbraw/zinc/26/80/86/367268086.db2.gz RWBCZZYMALLHAU-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341287868 367268089 /nfs/dbraw/zinc/26/80/89/367268089.db2.gz RWBCZZYMALLHAU-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000163241912 367226415 /nfs/dbraw/zinc/22/64/15/367226415.db2.gz UBFFINZFZRJLAH-STQMWFEESA-N 2 1 250.411 2.448 20 0 CEADMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cn1 ZINC000163390677 367236064 /nfs/dbraw/zinc/23/60/64/367236064.db2.gz KQCCLYBQMBHVIA-UHFFFAOYSA-N 2 1 274.368 2.117 20 0 CEADMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cn1 ZINC000163390677 367236067 /nfs/dbraw/zinc/23/60/67/367236067.db2.gz KQCCLYBQMBHVIA-UHFFFAOYSA-N 2 1 274.368 2.117 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCN(CC(F)F)CC1 ZINC000341443704 367338783 /nfs/dbraw/zinc/33/87/83/367338783.db2.gz WFPPYIJJFDWTFN-UHFFFAOYSA-N 2 1 277.403 2.036 20 0 CEADMP CCc1nc(NC[C@H](Cc2ccccc2)[NH+](C)C)cc(C)[nH+]1 ZINC000341348129 367297202 /nfs/dbraw/zinc/29/72/02/367297202.db2.gz QUIXZGDOGMCFOM-INIZCTEOSA-N 2 1 298.434 2.354 20 0 CEADMP CCC1CC([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000342569954 367427466 /nfs/dbraw/zinc/42/74/66/367427466.db2.gz ANDIJKDPAKGXOR-WLYUNCDWSA-N 2 1 254.418 2.266 20 0 CEADMP CCC1CC([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000342569954 367427469 /nfs/dbraw/zinc/42/74/69/367427469.db2.gz ANDIJKDPAKGXOR-WLYUNCDWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H](O)C[NH+](C)C ZINC000631580337 367417284 /nfs/dbraw/zinc/41/72/84/367417284.db2.gz MCTFIPJBUXZVNC-ZFWWWQNUSA-N 2 1 289.423 2.001 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC[N@@H+]1C ZINC000631587291 367422608 /nfs/dbraw/zinc/42/26/08/367422608.db2.gz GWECLKRUULOXGW-MRLBHPIUSA-N 2 1 264.413 2.016 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC[N@H+]1C ZINC000631587291 367422610 /nfs/dbraw/zinc/42/26/10/367422610.db2.gz GWECLKRUULOXGW-MRLBHPIUSA-N 2 1 264.413 2.016 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)F)[C@@H](C)C1 ZINC000631658457 367470224 /nfs/dbraw/zinc/47/02/24/367470224.db2.gz KZIIESDNOWXGJV-UONOGXRCSA-N 2 1 274.424 2.461 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c3CCOC4)C[C@H]21 ZINC000631823344 367561077 /nfs/dbraw/zinc/56/10/77/367561077.db2.gz BZBCGTGBJOVPDS-BMGDILEWSA-N 2 1 286.419 2.319 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000342766936 367521856 /nfs/dbraw/zinc/52/18/56/367521856.db2.gz YWVKESIVMKZVTJ-QLFBSQMISA-N 2 1 295.471 2.001 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000342863866 367577559 /nfs/dbraw/zinc/57/75/59/367577559.db2.gz JQMBMAJJSNGPFA-AWEZNQCLSA-N 2 1 293.411 2.245 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000342863866 367577563 /nfs/dbraw/zinc/57/75/63/367577563.db2.gz JQMBMAJJSNGPFA-AWEZNQCLSA-N 2 1 293.411 2.245 20 0 CEADMP CC[N@@H+]1C[C@H](NCC[NH+](C(C)C)C(C)C)[C@@H](C)C1 ZINC000342865336 367577773 /nfs/dbraw/zinc/57/77/73/367577773.db2.gz FJCHFTMRGWHVQP-GJZGRUSLSA-N 2 1 255.450 2.035 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)C[C@H]1C[NH3+] ZINC000631840096 367581106 /nfs/dbraw/zinc/58/11/06/367581106.db2.gz PKBZBXCVMAWWFY-WCQYABFASA-N 2 1 273.355 2.401 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000631841953 367582572 /nfs/dbraw/zinc/58/25/72/367582572.db2.gz SGNXQHQEQDOOSA-QLFBSQMISA-N 2 1 289.423 2.157 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000631841953 367582578 /nfs/dbraw/zinc/58/25/78/367582578.db2.gz SGNXQHQEQDOOSA-QLFBSQMISA-N 2 1 289.423 2.157 20 0 CEADMP Cc1c(Cl)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)nn1C ZINC000335543971 212243580 /nfs/dbraw/zinc/24/35/80/212243580.db2.gz OKNPGSDXDQBQRU-LLVKDONJSA-N 2 1 296.846 2.346 20 0 CEADMP Cc1c(Cl)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)nn1C ZINC000335543971 212243583 /nfs/dbraw/zinc/24/35/83/212243583.db2.gz OKNPGSDXDQBQRU-LLVKDONJSA-N 2 1 296.846 2.346 20 0 CEADMP Cc1ncsc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335543568 212242696 /nfs/dbraw/zinc/24/26/96/212242696.db2.gz MSTMLGWVLCTLID-NSHDSACASA-N 2 1 265.426 2.416 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2nsc3ccccc32)C[C@@H]1C[NH3+] ZINC000631836738 367574877 /nfs/dbraw/zinc/57/48/77/367574877.db2.gz GCAIOFDRWWDTNH-NEPJUHHUSA-N 2 1 275.421 2.365 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCOCCc1ccccc1 ZINC000631858785 367595360 /nfs/dbraw/zinc/59/53/60/367595360.db2.gz DMHBKPJIARSTNJ-GDBMZVCRSA-N 2 1 262.397 2.057 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCOCCc1ccccc1 ZINC000631858785 367595367 /nfs/dbraw/zinc/59/53/67/367595367.db2.gz DMHBKPJIARSTNJ-GDBMZVCRSA-N 2 1 262.397 2.057 20 0 CEADMP c1cc(CCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)ccn1 ZINC000631889201 367610289 /nfs/dbraw/zinc/61/02/89/367610289.db2.gz DFOOKWHIKAHMQL-CVEARBPZSA-N 2 1 259.397 2.088 20 0 CEADMP COc1cccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631889186 367610576 /nfs/dbraw/zinc/61/05/76/367610576.db2.gz CXWQPAWGWQUBRD-YOEHRIQHSA-N 2 1 290.407 2.148 20 0 CEADMP COc1ccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631888207 367610748 /nfs/dbraw/zinc/61/07/48/367610748.db2.gz XHGSURLSNIZEOD-RHSMWYFYSA-N 2 1 290.407 2.148 20 0 CEADMP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)[C@H]1CCCCO1 ZINC000631889200 367610888 /nfs/dbraw/zinc/61/08/88/367610888.db2.gz DFMWVDQNXQBOJP-ZNMIVQPWSA-N 2 1 252.402 2.020 20 0 CEADMP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)[C@H]1CCCCO1 ZINC000631889200 367610890 /nfs/dbraw/zinc/61/08/90/367610890.db2.gz DFMWVDQNXQBOJP-ZNMIVQPWSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000343251933 367726492 /nfs/dbraw/zinc/72/64/92/367726492.db2.gz NKURYRKECKKMPE-KFWWJZLASA-N 2 1 254.418 2.169 20 0 CEADMP CCC[N@H+](CC)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000174648012 368051749 /nfs/dbraw/zinc/05/17/49/368051749.db2.gz HGUIWLYRJPLROS-MRXNPFEDSA-N 2 1 291.439 2.137 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000174648012 368051753 /nfs/dbraw/zinc/05/17/53/368051753.db2.gz HGUIWLYRJPLROS-MRXNPFEDSA-N 2 1 291.439 2.137 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000344120679 368107944 /nfs/dbraw/zinc/10/79/44/368107944.db2.gz BTEBJBRYPAAWIN-ZBFHGGJFSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H](CCO)C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000344271911 368117932 /nfs/dbraw/zinc/11/79/32/368117932.db2.gz APTAFCPDURTYFI-PMPSAXMXSA-N 2 1 280.456 2.392 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1(C)C ZINC000181733478 368489443 /nfs/dbraw/zinc/48/94/43/368489443.db2.gz XLBJRTWJDLHLTH-BZUAXINKSA-N 2 1 298.471 2.017 20 0 CEADMP CC[N@H+]1C[C@H](C)N(CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000346166334 368571047 /nfs/dbraw/zinc/57/10/47/368571047.db2.gz OBHOGQBRSUVXML-CVEARBPZSA-N 2 1 267.461 2.133 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000346312319 368632113 /nfs/dbraw/zinc/63/21/13/368632113.db2.gz PGEJKJQRUIEASP-UHFFFAOYSA-N 2 1 281.400 2.245 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC000346312319 368632116 /nfs/dbraw/zinc/63/21/16/368632116.db2.gz PGEJKJQRUIEASP-UHFFFAOYSA-N 2 1 281.400 2.245 20 0 CEADMP C[C@H]1C[C@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)CC[N@H+]1C ZINC000184241088 368683384 /nfs/dbraw/zinc/68/33/84/368683384.db2.gz FASDOISJPXEMJV-LSDHHAIUSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCO1 ZINC000346473172 368688567 /nfs/dbraw/zinc/68/85/67/368688567.db2.gz AHQQGKPKVPSROY-QXSJWSMHSA-N 2 1 284.444 2.033 20 0 CEADMP C[C@H]1C[C@H](N(CCC[NH3+])c2cccc(F)c2)CC[N@H+]1C ZINC000639037220 370916437 /nfs/dbraw/zinc/91/64/37/370916437.db2.gz GUADMAKWEHVZKG-XJKSGUPXSA-N 2 1 279.403 2.464 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnccc1N(C)C ZINC000185185012 368763192 /nfs/dbraw/zinc/76/31/92/368763192.db2.gz VLDHIEWAXGKSRN-ZDUSSCGKSA-N 2 1 287.411 2.078 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CCOC)CC2)[C@@H](C)C1 ZINC000246264523 370938450 /nfs/dbraw/zinc/93/84/50/370938450.db2.gz ABOJVHBSPFJDOF-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)cnc21 ZINC000346694029 368776121 /nfs/dbraw/zinc/77/61/21/368776121.db2.gz RJFQFDPDVWQPNR-STQMWFEESA-N 2 1 287.411 2.181 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000346686700 368769640 /nfs/dbraw/zinc/76/96/40/368769640.db2.gz SDHVQMUQKIOGLT-QWHCGFSZSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000346686700 368769645 /nfs/dbraw/zinc/76/96/45/368769645.db2.gz SDHVQMUQKIOGLT-QWHCGFSZSA-N 2 1 270.380 2.246 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346658276 368756003 /nfs/dbraw/zinc/75/60/03/368756003.db2.gz UGNXGDFUTLUINJ-DOMBMUJNSA-N 2 1 260.381 2.378 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCOC(C)(C)C2)CCCO1 ZINC000634683701 368812440 /nfs/dbraw/zinc/81/24/40/368812440.db2.gz XZFLMOHISFNQPH-LSDHHAIUSA-N 2 1 284.444 2.035 20 0 CEADMP COc1cc(C)nc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634732584 368844220 /nfs/dbraw/zinc/84/42/20/368844220.db2.gz JRCKTBCYRRDZPY-CYBMUJFWSA-N 2 1 277.412 2.266 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000634733297 368844424 /nfs/dbraw/zinc/84/44/24/368844424.db2.gz CAULXSVQZWXBFV-ZJIFWQFVSA-N 2 1 279.472 2.275 20 0 CEADMP CC/C=C/C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634716225 368837061 /nfs/dbraw/zinc/83/70/61/368837061.db2.gz QRLJVXQBKUMCMF-OPQSBORISA-N 2 1 274.408 2.179 20 0 CEADMP CC/C=C/C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716225 368837064 /nfs/dbraw/zinc/83/70/64/368837064.db2.gz QRLJVXQBKUMCMF-OPQSBORISA-N 2 1 274.408 2.179 20 0 CEADMP O[C@@]1(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634718134 368838013 /nfs/dbraw/zinc/83/80/13/368838013.db2.gz XCBAXAFGPAQXOM-XMTFNYHQSA-N 2 1 286.419 2.012 20 0 CEADMP O[C@@]1(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634718134 368838018 /nfs/dbraw/zinc/83/80/18/368838018.db2.gz XCBAXAFGPAQXOM-XMTFNYHQSA-N 2 1 286.419 2.012 20 0 CEADMP C[C@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634637540 368790518 /nfs/dbraw/zinc/79/05/18/368790518.db2.gz WWKUTUXZRQMFCH-WMZOPIPTSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634637540 368790523 /nfs/dbraw/zinc/79/05/23/368790523.db2.gz WWKUTUXZRQMFCH-WMZOPIPTSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634637540 368790525 /nfs/dbraw/zinc/79/05/25/368790525.db2.gz WWKUTUXZRQMFCH-WMZOPIPTSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634637540 368790530 /nfs/dbraw/zinc/79/05/30/368790530.db2.gz WWKUTUXZRQMFCH-WMZOPIPTSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347003755 368796943 /nfs/dbraw/zinc/79/69/43/368796943.db2.gz MCBNXMBEMKHROP-VNHYZAJKSA-N 2 1 254.418 2.108 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000347067320 368798440 /nfs/dbraw/zinc/79/84/40/368798440.db2.gz MHXZHWSAAKKRJN-QWHCGFSZSA-N 2 1 276.380 2.017 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000347067320 368798442 /nfs/dbraw/zinc/79/84/42/368798442.db2.gz MHXZHWSAAKKRJN-QWHCGFSZSA-N 2 1 276.380 2.017 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000347125232 368799889 /nfs/dbraw/zinc/79/98/89/368799889.db2.gz XQLBYVHOAUFSQS-ZDUSSCGKSA-N 2 1 277.387 2.207 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000347125232 368799893 /nfs/dbraw/zinc/79/98/93/368799893.db2.gz XQLBYVHOAUFSQS-ZDUSSCGKSA-N 2 1 277.387 2.207 20 0 CEADMP CC[C@H]1CC[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000348108987 368902183 /nfs/dbraw/zinc/90/21/83/368902183.db2.gz XZIIVJOGDADNQM-HOTGVXAUSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCSC2)[C@H](C)C1 ZINC000348246105 368967422 /nfs/dbraw/zinc/96/74/22/368967422.db2.gz RLWMWYVYVJEINB-RDBSUJKOSA-N 2 1 256.459 2.450 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348263083 368974979 /nfs/dbraw/zinc/97/49/79/368974979.db2.gz SBOUKEZDJLKXKP-IRXDYDNUSA-N 2 1 276.424 2.348 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000635010697 369046807 /nfs/dbraw/zinc/04/68/07/369046807.db2.gz UXKAVJGQYDCOQD-MFKMUULPSA-N 2 1 254.324 2.443 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOC(C)C)[C@H](C)C1 ZINC000186638612 369012124 /nfs/dbraw/zinc/01/21/24/369012124.db2.gz BRMXTYKKNYNGOI-CVEARBPZSA-N 2 1 286.460 2.138 20 0 CEADMP OC[C@@H](C1CC1)[N@H+](Cc1ccccc1)CC12CC(C1)C[NH2+]2 ZINC000634993774 369022116 /nfs/dbraw/zinc/02/21/16/369022116.db2.gz GECUCBXKHPBASG-NXYGQSRBSA-N 2 1 286.419 2.012 20 0 CEADMP OC[C@@H](C1CC1)[N@@H+](Cc1ccccc1)CC12CC(C1)C[NH2+]2 ZINC000634993774 369022122 /nfs/dbraw/zinc/02/21/22/369022122.db2.gz GECUCBXKHPBASG-NXYGQSRBSA-N 2 1 286.419 2.012 20 0 CEADMP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(-n2cccn2)c1 ZINC000634996053 369024899 /nfs/dbraw/zinc/02/48/99/369024899.db2.gz YDZXOYKDPFSNKP-CBCUQQMYSA-N 2 1 282.391 2.275 20 0 CEADMP Cc1cc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)ccc1-n1cncn1 ZINC000634997102 369026460 /nfs/dbraw/zinc/02/64/60/369026460.db2.gz CWSCRYWYCWZMIR-MRXNPFEDSA-N 2 1 299.422 2.279 20 0 CEADMP Cc1cc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)ccc1-n1cncn1 ZINC000634997102 369026466 /nfs/dbraw/zinc/02/64/66/369026466.db2.gz CWSCRYWYCWZMIR-MRXNPFEDSA-N 2 1 299.422 2.279 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nccc3ccccc32)C[C@@H]1C[NH3+] ZINC000634998235 369029854 /nfs/dbraw/zinc/02/98/54/369029854.db2.gz CIXZNTARDXHRRU-JSGCOSHPSA-N 2 1 255.365 2.261 20 0 CEADMP C[C@@H]1C[C@@H](CN2CCC(C)([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000634999249 369033884 /nfs/dbraw/zinc/03/38/84/369033884.db2.gz ROGOQQMWNIQTBN-CVEARBPZSA-N 2 1 279.472 2.325 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@H](N[C@@H](C)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000635010932 369048597 /nfs/dbraw/zinc/04/85/97/369048597.db2.gz BWEXRPWHCLZYEW-JQHSSLGASA-N 2 1 287.451 2.299 20 0 CEADMP CCCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000348412963 369039130 /nfs/dbraw/zinc/03/91/30/369039130.db2.gz ZZLGIHXKGDTMNL-LSDHHAIUSA-N 2 1 283.460 2.003 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[C@@H]([NH3+])Cc2ccccc2)[C@H](C)C1 ZINC000635009759 369045118 /nfs/dbraw/zinc/04/51/18/369045118.db2.gz WIAQAQNJKCHOCX-NXHRZFHOSA-N 2 1 289.467 2.266 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)[C@H](C)C1 ZINC000635009759 369045122 /nfs/dbraw/zinc/04/51/22/369045122.db2.gz WIAQAQNJKCHOCX-NXHRZFHOSA-N 3 1 289.467 2.266 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)[C@H](C)C1 ZINC000635009759 369045127 /nfs/dbraw/zinc/04/51/27/369045127.db2.gz WIAQAQNJKCHOCX-NXHRZFHOSA-N 3 1 289.467 2.266 20 0 CEADMP CC(C)[C@](C)(O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000187083936 369098403 /nfs/dbraw/zinc/09/84/03/369098403.db2.gz CHMWTIBXLDIWCQ-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)[NH+]1CCC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635192393 369101802 /nfs/dbraw/zinc/10/18/02/369101802.db2.gz SIECNAKYVWXLNC-UHFFFAOYSA-N 2 1 297.487 2.296 20 0 CEADMP C[NH+](C)Cc1cccc(NC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000635265653 369121989 /nfs/dbraw/zinc/12/19/89/369121989.db2.gz UGAJQAPGLWUZPP-CQSZACIVSA-N 2 1 275.396 2.029 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635325243 369140957 /nfs/dbraw/zinc/14/09/57/369140957.db2.gz LXGPICXYHSBZTL-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635325243 369140963 /nfs/dbraw/zinc/14/09/63/369140963.db2.gz LXGPICXYHSBZTL-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635325243 369140967 /nfs/dbraw/zinc/14/09/67/369140967.db2.gz LXGPICXYHSBZTL-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@H]12 ZINC000348751481 369142824 /nfs/dbraw/zinc/14/28/24/369142824.db2.gz RSFDDPFZCBEIFT-CWRNSKLLSA-N 2 1 262.372 2.427 20 0 CEADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000635604427 369242378 /nfs/dbraw/zinc/24/23/78/369242378.db2.gz FQTLPWXXSCTTSX-ZDUSSCGKSA-N 2 1 294.443 2.099 20 0 CEADMP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C[NH+](C)C ZINC000635606433 369244115 /nfs/dbraw/zinc/24/41/15/369244115.db2.gz RWNJUUWWGFMDIX-CYBMUJFWSA-N 2 1 285.476 2.057 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccn(C(F)F)n3)C2)CC1 ZINC000349152160 369253959 /nfs/dbraw/zinc/25/39/59/369253959.db2.gz PHVCVUWOKPYRFU-ZDUSSCGKSA-N 2 1 298.381 2.442 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccn(C(F)F)n3)C2)CC1 ZINC000349152160 369253963 /nfs/dbraw/zinc/25/39/63/369253963.db2.gz PHVCVUWOKPYRFU-ZDUSSCGKSA-N 2 1 298.381 2.442 20 0 CEADMP C[NH+](C)CCc1ccccc1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635834029 369365563 /nfs/dbraw/zinc/36/55/63/369365563.db2.gz CFECYJXXQNHVLD-AWEZNQCLSA-N 2 1 289.423 2.071 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000246373303 370952140 /nfs/dbraw/zinc/95/21/40/370952140.db2.gz JLRGRCRMESQVGT-TUVASFSCSA-N 2 1 270.461 2.348 20 0 CEADMP Cn1ccnc1[C@@H](C1CC1)[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000639081560 370954407 /nfs/dbraw/zinc/95/44/07/370954407.db2.gz IVPKNLVIKQFBOA-OAHLLOKOSA-N 2 1 288.439 2.431 20 0 CEADMP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358256678 370976284 /nfs/dbraw/zinc/97/62/84/370976284.db2.gz RGPHZHRTKNAFMG-JKSUJKDBSA-N 2 1 262.397 2.040 20 0 CEADMP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358256678 370976287 /nfs/dbraw/zinc/97/62/87/370976287.db2.gz RGPHZHRTKNAFMG-JKSUJKDBSA-N 2 1 262.397 2.040 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000350179886 369520999 /nfs/dbraw/zinc/52/09/99/369520999.db2.gz ABACPNKDCMNBKP-QGZVFWFLSA-N 2 1 291.439 2.057 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](COC)CC(C)C)C1 ZINC000358261497 370980312 /nfs/dbraw/zinc/98/03/12/370980312.db2.gz YJJINDSCVRMSPX-HUUCEWRRSA-N 2 1 256.434 2.369 20 0 CEADMP C[N@@H+](CC(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12)CC(C)(C)C ZINC000636142517 369530968 /nfs/dbraw/zinc/53/09/68/369530968.db2.gz MCRDWSILQQLHNU-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)CC(C)(C)C ZINC000636142517 369530974 /nfs/dbraw/zinc/53/09/74/369530974.db2.gz MCRDWSILQQLHNU-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)CC(C)(C)C ZINC000636142517 369530978 /nfs/dbraw/zinc/53/09/78/369530978.db2.gz MCRDWSILQQLHNU-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC2(CCCC2)C1)C1CC1 ZINC000351644616 369647020 /nfs/dbraw/zinc/64/70/20/369647020.db2.gz AUDYWAVCWACQKX-OAHLLOKOSA-N 2 1 266.429 2.098 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC2(CCCC2)C1)C1CC1 ZINC000351644616 369647024 /nfs/dbraw/zinc/64/70/24/369647024.db2.gz AUDYWAVCWACQKX-OAHLLOKOSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCC2(CCCC2)C1)C1CC1 ZINC000351644616 369647030 /nfs/dbraw/zinc/64/70/30/369647030.db2.gz AUDYWAVCWACQKX-OAHLLOKOSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCCC2(CCCC2)C1)C1CC1 ZINC000351644616 369647033 /nfs/dbraw/zinc/64/70/33/369647033.db2.gz AUDYWAVCWACQKX-OAHLLOKOSA-N 2 1 266.429 2.098 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCCC12CCCCC2)C1CC1 ZINC000351724037 369651636 /nfs/dbraw/zinc/65/16/36/369651636.db2.gz ZNADJHGIHXCKNP-HNNXBMFYSA-N 2 1 266.429 2.240 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC12CCCCC2)C1CC1 ZINC000351724037 369651639 /nfs/dbraw/zinc/65/16/39/369651639.db2.gz ZNADJHGIHXCKNP-HNNXBMFYSA-N 2 1 266.429 2.240 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCCC12CCCCC2)C1CC1 ZINC000351724037 369651641 /nfs/dbraw/zinc/65/16/41/369651641.db2.gz ZNADJHGIHXCKNP-HNNXBMFYSA-N 2 1 266.429 2.240 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCCC12CCCCC2)C1CC1 ZINC000351724037 369651645 /nfs/dbraw/zinc/65/16/45/369651645.db2.gz ZNADJHGIHXCKNP-HNNXBMFYSA-N 2 1 266.429 2.240 20 0 CEADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000352400025 369711000 /nfs/dbraw/zinc/71/10/00/369711000.db2.gz OITCAVVDRRSGBB-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352509079 369764792 /nfs/dbraw/zinc/76/47/92/369764792.db2.gz IZCPASLGUCPHQZ-HUUCEWRRSA-N 2 1 283.460 2.083 20 0 CEADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352509079 369764798 /nfs/dbraw/zinc/76/47/98/369764798.db2.gz IZCPASLGUCPHQZ-HUUCEWRRSA-N 2 1 283.460 2.083 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000352608827 369805107 /nfs/dbraw/zinc/80/51/07/369805107.db2.gz PAXHYCXFRBYZJM-OIISXLGYSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCO1 ZINC000352608827 369805113 /nfs/dbraw/zinc/80/51/13/369805113.db2.gz PAXHYCXFRBYZJM-OIISXLGYSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCO1 ZINC000352608827 369805119 /nfs/dbraw/zinc/80/51/19/369805119.db2.gz PAXHYCXFRBYZJM-OIISXLGYSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCO1 ZINC000352612944 369807325 /nfs/dbraw/zinc/80/73/25/369807325.db2.gz SOUXNWSHAOUGGS-PMPSAXMXSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000352693468 369840053 /nfs/dbraw/zinc/84/00/53/369840053.db2.gz LPHTWPVNJBLIPC-QLFBSQMISA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000352693468 369840058 /nfs/dbraw/zinc/84/00/58/369840058.db2.gz LPHTWPVNJBLIPC-QLFBSQMISA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000352693468 369840061 /nfs/dbraw/zinc/84/00/61/369840061.db2.gz LPHTWPVNJBLIPC-QLFBSQMISA-N 2 1 254.418 2.075 20 0 CEADMP Cc1ccc2ncc(C[N@@H+]3CCCC[C@H]3CC[NH3+])n2c1 ZINC000352535429 369776347 /nfs/dbraw/zinc/77/63/47/369776347.db2.gz QKJNQGQKQOKJCZ-AWEZNQCLSA-N 2 1 272.396 2.346 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CCCC[C@H]3CC[NH3+])n2c1 ZINC000352535429 369776350 /nfs/dbraw/zinc/77/63/50/369776350.db2.gz QKJNQGQKQOKJCZ-AWEZNQCLSA-N 2 1 272.396 2.346 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2CC[NH3+])CCO1 ZINC000352533842 369776465 /nfs/dbraw/zinc/77/64/65/369776465.db2.gz ADETYUVDIHRALH-RBSFLKMASA-N 2 1 254.418 2.395 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccnn1C ZINC000192250195 369785022 /nfs/dbraw/zinc/78/50/22/369785022.db2.gz PKBUKCOGHZCPCI-LBPRGKRZSA-N 2 1 264.417 2.334 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000352749180 369866788 /nfs/dbraw/zinc/86/67/88/369866788.db2.gz PZMAZFMHXBVLMP-AIANPOQGSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000352749180 369866792 /nfs/dbraw/zinc/86/67/92/369866792.db2.gz PZMAZFMHXBVLMP-AIANPOQGSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352749180 369866798 /nfs/dbraw/zinc/86/67/98/369866798.db2.gz PZMAZFMHXBVLMP-AIANPOQGSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352749180 369866803 /nfs/dbraw/zinc/86/68/03/369866803.db2.gz PZMAZFMHXBVLMP-AIANPOQGSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](CC1CC1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352792845 369880377 /nfs/dbraw/zinc/88/03/77/369880377.db2.gz SCBGVSHVERONLE-JTQLQIEISA-N 2 1 253.415 2.483 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnn2C)C1 ZINC000193034971 369885014 /nfs/dbraw/zinc/88/50/14/369885014.db2.gz SNOZEJBEZQAXEC-LSDHHAIUSA-N 2 1 278.444 2.439 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccnn2C)C1 ZINC000193034971 369885015 /nfs/dbraw/zinc/88/50/15/369885015.db2.gz SNOZEJBEZQAXEC-LSDHHAIUSA-N 2 1 278.444 2.439 20 0 CEADMP C[N@@H+](CCCO[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353149953 370041076 /nfs/dbraw/zinc/04/10/76/370041076.db2.gz RTVIOCBCRNKXDS-FCLJQHQZSA-N 2 1 296.455 2.477 20 0 CEADMP C[NH+](CCCO[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353149953 370041083 /nfs/dbraw/zinc/04/10/83/370041083.db2.gz RTVIOCBCRNKXDS-FCLJQHQZSA-N 2 1 296.455 2.477 20 0 CEADMP C[NH+](CCCO[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353149953 370041086 /nfs/dbraw/zinc/04/10/86/370041086.db2.gz RTVIOCBCRNKXDS-FCLJQHQZSA-N 2 1 296.455 2.477 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353017556 369983741 /nfs/dbraw/zinc/98/37/41/369983741.db2.gz CTPHMQCVVQSPNA-GFCCVEGCSA-N 2 1 273.327 2.143 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353017556 369983744 /nfs/dbraw/zinc/98/37/44/369983744.db2.gz CTPHMQCVVQSPNA-GFCCVEGCSA-N 2 1 273.327 2.143 20 0 CEADMP CO[C@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1(C)C ZINC000353181212 370057985 /nfs/dbraw/zinc/05/79/85/370057985.db2.gz MGDYXSZSDUGHBM-KGLIPLIRSA-N 2 1 263.385 2.051 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000194636759 370059828 /nfs/dbraw/zinc/05/98/28/370059828.db2.gz ZAVYJYWVKXZFBD-KPWCQOOUSA-N 2 1 254.418 2.093 20 0 CEADMP CC[C@H](C)[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)OC ZINC000637930251 370178857 /nfs/dbraw/zinc/17/88/57/370178857.db2.gz LPRDQQJHTCYNEE-RRFJBIMHSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@H](C)[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)OC ZINC000637930251 370178860 /nfs/dbraw/zinc/17/88/60/370178860.db2.gz LPRDQQJHTCYNEE-RRFJBIMHSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@H](C)[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000637930251 370178862 /nfs/dbraw/zinc/17/88/62/370178862.db2.gz LPRDQQJHTCYNEE-RRFJBIMHSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC[N@H+]1C ZINC000637859327 370127420 /nfs/dbraw/zinc/12/74/20/370127420.db2.gz DZYGEYNAGHKORJ-VBNZEHGJSA-N 2 1 289.423 2.053 20 0 CEADMP Cc1ccc(C[NH2+]C[C@@](C)(O)CN(C)C)cc1Cl ZINC000195448367 370132108 /nfs/dbraw/zinc/13/21/08/370132108.db2.gz MXPUMCGBJDSIQQ-CQSZACIVSA-N 2 1 270.804 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000353970052 370158334 /nfs/dbraw/zinc/15/83/34/370158334.db2.gz BGXCTKIRYGIHOX-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000353970052 370158339 /nfs/dbraw/zinc/15/83/39/370158339.db2.gz BGXCTKIRYGIHOX-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000353970052 370158343 /nfs/dbraw/zinc/15/83/43/370158343.db2.gz BGXCTKIRYGIHOX-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC1CC[NH+](CCC)CC1 ZINC000353987088 370166003 /nfs/dbraw/zinc/16/60/03/370166003.db2.gz MYQJGDCYYLEHEL-MRXNPFEDSA-N 2 1 267.461 2.325 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1(C(=O)OC)CCC1 ZINC000354085188 370210202 /nfs/dbraw/zinc/21/02/02/370210202.db2.gz HAUNSEFBGHXASS-IHRRRGAJSA-N 2 1 282.428 2.181 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1(C(=O)OC)CCC1 ZINC000354085188 370210207 /nfs/dbraw/zinc/21/02/07/370210207.db2.gz HAUNSEFBGHXASS-IHRRRGAJSA-N 2 1 282.428 2.181 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000354096682 370216155 /nfs/dbraw/zinc/21/61/55/370216155.db2.gz KPSQPLQDCLSFBF-MRXNPFEDSA-N 2 1 277.412 2.014 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)NC2CCCC2)C[C@@H]1C ZINC000354225943 370270934 /nfs/dbraw/zinc/27/09/34/370270934.db2.gz ZSRQNJOXVHNEMT-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)NC2CCCC2)C[C@@H]1C ZINC000354225943 370270937 /nfs/dbraw/zinc/27/09/37/370270937.db2.gz ZSRQNJOXVHNEMT-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)NC2CCCC2)C[C@@H]1C ZINC000354225943 370270941 /nfs/dbraw/zinc/27/09/41/370270941.db2.gz ZSRQNJOXVHNEMT-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+](CC)CCCCNc1nc(C)[nH+]c(C)c1C ZINC000354429139 370359872 /nfs/dbraw/zinc/35/98/72/370359872.db2.gz VBCMCQUKBKEMGE-UHFFFAOYSA-N 2 1 264.417 2.358 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000227140165 370362393 /nfs/dbraw/zinc/36/23/93/370362393.db2.gz KQIONJRKHNGWJG-RCCFBDPRSA-N 2 1 287.451 2.368 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCOCC1 ZINC000354347061 370325699 /nfs/dbraw/zinc/32/56/99/370325699.db2.gz JHCHYDZVTWLKBJ-HNNXBMFYSA-N 2 1 296.455 2.036 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@](C)(CC)OC)C1 ZINC000638134265 370328259 /nfs/dbraw/zinc/32/82/59/370328259.db2.gz NPOFDNVSXBMWMQ-HZPDHXFCSA-N 2 1 286.460 2.234 20 0 CEADMP Cc1c(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cnn1C ZINC000226310445 370334060 /nfs/dbraw/zinc/33/40/60/370334060.db2.gz CETMAANTHZXFKX-IUODEOHRSA-N 2 1 264.417 2.129 20 0 CEADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000354375407 370336623 /nfs/dbraw/zinc/33/66/23/370336623.db2.gz AMIAQRJHUYONKI-UHFFFAOYSA-N 2 1 289.423 2.207 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1OC ZINC000228533252 370404754 /nfs/dbraw/zinc/40/47/54/370404754.db2.gz JYQBZALQLNYRGY-NWANDNLSSA-N 2 1 290.407 2.263 20 0 CEADMP CCOC1CC(C[NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000638306403 370435195 /nfs/dbraw/zinc/43/51/95/370435195.db2.gz LVSZXPDGTMVNPA-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH+](C)C1(C[NH2+]C2CC(n3cccn3)C2)CCCC1 ZINC000638306340 370435280 /nfs/dbraw/zinc/43/52/80/370435280.db2.gz KPUWRRMZWYZEGO-UHFFFAOYSA-N 2 1 262.401 2.051 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000354659814 370457242 /nfs/dbraw/zinc/45/72/42/370457242.db2.gz VJOLIWMJXIVCSS-DVOMOZLQSA-N 2 1 296.842 2.488 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000354659814 370457247 /nfs/dbraw/zinc/45/72/47/370457247.db2.gz VJOLIWMJXIVCSS-DVOMOZLQSA-N 2 1 296.842 2.488 20 0 CEADMP CO[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000638359088 370467848 /nfs/dbraw/zinc/46/78/48/370467848.db2.gz MHRVKLXXGAQSIC-CJNGLKHVSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)OC ZINC000638358577 370468144 /nfs/dbraw/zinc/46/81/44/370468144.db2.gz FUVUSGYPYHXTAO-YDHLFZDLSA-N 2 1 254.418 2.121 20 0 CEADMP CO[C@]1(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCOC1 ZINC000638365496 370475821 /nfs/dbraw/zinc/47/58/21/370475821.db2.gz FDFYMKKXSKWVCA-HOTGVXAUSA-N 2 1 284.444 2.036 20 0 CEADMP Nc1c(F)cccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000638307249 370436337 /nfs/dbraw/zinc/43/63/37/370436337.db2.gz IHSLUMUBESIYOO-UHFFFAOYSA-N 2 1 265.376 2.374 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+]CC2([NH+](C)C)CCCC2)ccn1 ZINC000638308248 370436573 /nfs/dbraw/zinc/43/65/73/370436573.db2.gz UOQRTLSAQPMGSO-CQSZACIVSA-N 2 1 291.439 2.485 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@@H]21 ZINC000230048028 370437518 /nfs/dbraw/zinc/43/75/18/370437518.db2.gz RVRBFAWIVNULIZ-VNHYZAJKSA-N 2 1 278.371 2.264 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(-c4ccco4)on3)C[C@@H]21 ZINC000230049345 370438728 /nfs/dbraw/zinc/43/87/28/370438728.db2.gz SKXYMYLOJMKSGQ-FPMFFAJLSA-N 2 1 287.363 2.494 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(-c4ccco4)on3)C[C@@H]21 ZINC000230049345 370438733 /nfs/dbraw/zinc/43/87/33/370438733.db2.gz SKXYMYLOJMKSGQ-FPMFFAJLSA-N 2 1 287.363 2.494 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638381319 370487192 /nfs/dbraw/zinc/48/71/92/370487192.db2.gz JYANBNFMUQJVOK-IAGOWNOFSA-N 2 1 287.451 2.444 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CC1(F)F ZINC000638557739 370604817 /nfs/dbraw/zinc/60/48/17/370604817.db2.gz KSWALOHEXPOWRY-CHWSQXEVSA-N 2 1 288.382 2.265 20 0 CEADMP COCC[N@@H+]1CCC[C@H]1CNCc1c(C)cccc1OC ZINC000638508539 370578777 /nfs/dbraw/zinc/57/87/77/370578777.db2.gz HXGRAMKUZKMNOC-HNNXBMFYSA-N 2 1 292.423 2.204 20 0 CEADMP COCC[N@H+]1CCC[C@H]1CNCc1c(C)cccc1OC ZINC000638508539 370578780 /nfs/dbraw/zinc/57/87/80/370578780.db2.gz HXGRAMKUZKMNOC-HNNXBMFYSA-N 2 1 292.423 2.204 20 0 CEADMP COCC[N@@H+]1CCC[C@@H]1CNCc1c(C)cccc1OC ZINC000638508540 370578799 /nfs/dbraw/zinc/57/87/99/370578799.db2.gz HXGRAMKUZKMNOC-OAHLLOKOSA-N 2 1 292.423 2.204 20 0 CEADMP COCC[N@H+]1CCC[C@@H]1CNCc1c(C)cccc1OC ZINC000638508540 370578801 /nfs/dbraw/zinc/57/88/01/370578801.db2.gz HXGRAMKUZKMNOC-OAHLLOKOSA-N 2 1 292.423 2.204 20 0 CEADMP CO[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCCC1 ZINC000638619393 370638629 /nfs/dbraw/zinc/63/86/29/370638629.db2.gz MFAUZRQKVIFOHU-SJORKVTESA-N 2 1 298.471 2.018 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC000236875813 370644117 /nfs/dbraw/zinc/64/41/17/370644117.db2.gz QWZFYLYDOIYHKY-INIZCTEOSA-N 2 1 291.439 2.128 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000236875735 370644279 /nfs/dbraw/zinc/64/42/79/370644279.db2.gz MKMSHZYAPPUQLP-OAHLLOKOSA-N 2 1 291.439 2.128 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)C1 ZINC000638566716 370609294 /nfs/dbraw/zinc/60/92/94/370609294.db2.gz OEJIPZWGHPOXPN-BZUAXINKSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)Cc2ccccc2)CC[N@@H+]1C ZINC000246755139 371004611 /nfs/dbraw/zinc/00/46/11/371004611.db2.gz NNDYUVWDXSRMSR-PVAVHDDUSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)Cc2ccccc2)CC[N@H+]1C ZINC000246755139 371004618 /nfs/dbraw/zinc/00/46/18/371004618.db2.gz NNDYUVWDXSRMSR-PVAVHDDUSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)Cc2ccccc2)CC[NH+]1C ZINC000246755139 371004626 /nfs/dbraw/zinc/00/46/26/371004626.db2.gz NNDYUVWDXSRMSR-PVAVHDDUSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2)CC[NH+]1C ZINC000246755139 371004633 /nfs/dbraw/zinc/00/46/33/371004633.db2.gz NNDYUVWDXSRMSR-PVAVHDDUSA-N 2 1 276.424 2.005 20 0 CEADMP Cc1nnsc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639176383 371051442 /nfs/dbraw/zinc/05/14/42/371051442.db2.gz FROSZJCHMVPIFU-CYBMUJFWSA-N 2 1 280.441 2.010 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC1(COC)CCC1 ZINC000639165299 371037738 /nfs/dbraw/zinc/03/77/38/371037738.db2.gz GJRRVRZOWHPPIB-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC1(COC)CCC1 ZINC000639165299 371037743 /nfs/dbraw/zinc/03/77/43/371037743.db2.gz GJRRVRZOWHPPIB-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP CO[C@@H](Cc1ccccc1)C[N@H+](C)CCC[NH+](C)C ZINC000639167620 371040806 /nfs/dbraw/zinc/04/08/06/371040806.db2.gz IQBQYOYVZCHYKQ-INIZCTEOSA-N 2 1 264.413 2.128 20 0 CEADMP CO[C@@H](Cc1ccccc1)C[N@@H+](C)CCC[NH+](C)C ZINC000639167620 371040812 /nfs/dbraw/zinc/04/08/12/371040812.db2.gz IQBQYOYVZCHYKQ-INIZCTEOSA-N 2 1 264.413 2.128 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000639169868 371041962 /nfs/dbraw/zinc/04/19/62/371041962.db2.gz LWLOACKXLGTVDW-ZNMIVQPWSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC000247207958 371077255 /nfs/dbraw/zinc/07/72/55/371077255.db2.gz LWUVMQUBNCUWHR-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000247207958 371077261 /nfs/dbraw/zinc/07/72/61/371077261.db2.gz LWUVMQUBNCUWHR-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000247207958 371077264 /nfs/dbraw/zinc/07/72/64/371077264.db2.gz LWUVMQUBNCUWHR-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCc1cc(N2CCC[C@@H]([NH+](C)C)CC2)nc(C)[nH+]1 ZINC000276949827 541829544 /nfs/dbraw/zinc/82/95/44/541829544.db2.gz BNXFVPVKOJJZSB-CQSZACIVSA-N 2 1 262.401 2.268 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)ccn1 ZINC000639241232 371137348 /nfs/dbraw/zinc/13/73/48/371137348.db2.gz CWTNDYNJLYQQHN-CQSZACIVSA-N 2 1 291.439 2.485 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)ccn1 ZINC000639241232 371137354 /nfs/dbraw/zinc/13/73/54/371137354.db2.gz CWTNDYNJLYQQHN-CQSZACIVSA-N 2 1 291.439 2.485 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)CC[N@H+]1C ZINC000639236508 371130149 /nfs/dbraw/zinc/13/01/49/371130149.db2.gz SOGOARREMIJHBY-VNQPRFMTSA-N 2 1 299.422 2.009 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247966242 371150771 /nfs/dbraw/zinc/15/07/71/371150771.db2.gz GVAQMGBIUNBPLR-XBFCOCLRSA-N 2 1 290.411 2.424 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1C ZINC000247994978 371153312 /nfs/dbraw/zinc/15/33/12/371153312.db2.gz JVFLAKDWQCFOHH-QLFBSQMISA-N 2 1 269.477 2.425 20 0 CEADMP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000248154167 371165768 /nfs/dbraw/zinc/16/57/68/371165768.db2.gz RDCKIWBAYBGZMT-GXFFZTMASA-N 2 1 267.442 2.375 20 0 CEADMP Cc1nnc(C[NH+]2CCC(CCC[NH+](C)C)CC2)s1 ZINC000358738232 371198361 /nfs/dbraw/zinc/19/83/61/371198361.db2.gz DDWBJXWQJYFELR-UHFFFAOYSA-N 2 1 282.457 2.400 20 0 CEADMP CO[C@@](C)(C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000639345921 371258361 /nfs/dbraw/zinc/25/83/61/371258361.db2.gz CTHDXBOPIYOYHT-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP COc1cc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccn1 ZINC000639346687 371259862 /nfs/dbraw/zinc/25/98/62/371259862.db2.gz IENJYSWUFIFYDJ-HOCLYGCPSA-N 2 1 291.439 2.343 20 0 CEADMP CCOC1CC(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000249078334 371291501 /nfs/dbraw/zinc/29/15/01/371291501.db2.gz MCROCRNGEDASKV-PYBGIAKNSA-N 2 1 266.429 2.408 20 0 CEADMP CC[NH2+][C@@H](C)CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000358911995 371263229 /nfs/dbraw/zinc/26/32/29/371263229.db2.gz FCMADAXAVQAEBJ-FZMZJTMJSA-N 2 1 297.830 2.057 20 0 CEADMP C[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)C(F)(F)F ZINC000359106096 371339981 /nfs/dbraw/zinc/33/99/81/371339981.db2.gz NQFXGLPALSEZQL-SECBINFHSA-N 2 1 261.291 2.436 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250804001 371391699 /nfs/dbraw/zinc/39/16/99/371391699.db2.gz JWJOHEVCHZGWCV-YDHLFZDLSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250804001 371391702 /nfs/dbraw/zinc/39/17/02/371391702.db2.gz JWJOHEVCHZGWCV-YDHLFZDLSA-N 2 1 274.412 2.014 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000359306394 371420439 /nfs/dbraw/zinc/42/04/39/371420439.db2.gz MAVDFIYYNVPHQD-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000251382710 371400386 /nfs/dbraw/zinc/40/03/86/371400386.db2.gz ZORJJTFLFGZZAQ-FMKPAKJESA-N 2 1 266.429 2.264 20 0 CEADMP CCC[C@H](C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000251396220 371400520 /nfs/dbraw/zinc/40/05/20/371400520.db2.gz YZVHXSPDGMOEJO-ARFHVFGLSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000251786739 371417018 /nfs/dbraw/zinc/41/70/18/371417018.db2.gz NFKWZJDQBVMCPS-DGCLKSJQSA-N 2 1 295.814 2.338 20 0 CEADMP CCc1nccn1[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359194260 371370965 /nfs/dbraw/zinc/37/09/65/371370965.db2.gz RRSXNHNKUTXYJC-MRXNPFEDSA-N 2 1 290.455 2.472 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC000639527703 371385396 /nfs/dbraw/zinc/38/53/96/371385396.db2.gz VCMCLJDDMXEDBK-AWEZNQCLSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252858992 371483480 /nfs/dbraw/zinc/48/34/80/371483480.db2.gz MFGKZHRKTGBBLO-VRKREXBASA-N 2 1 287.407 2.073 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252858992 371483484 /nfs/dbraw/zinc/48/34/84/371483484.db2.gz MFGKZHRKTGBBLO-VRKREXBASA-N 2 1 287.407 2.073 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252857618 371484283 /nfs/dbraw/zinc/48/42/83/371484283.db2.gz LKMPAKZYKRJEOX-BPUTZDHNSA-N 2 1 260.381 2.254 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)CC[N@@H+]1C ZINC000252115069 371431302 /nfs/dbraw/zinc/43/13/02/371431302.db2.gz KCCQADFCCUFQAM-MCIONIFRSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)CC[N@H+]1C ZINC000252115069 371431305 /nfs/dbraw/zinc/43/13/05/371431305.db2.gz KCCQADFCCUFQAM-MCIONIFRSA-N 2 1 252.402 2.160 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H]1C ZINC000359433746 371462035 /nfs/dbraw/zinc/46/20/35/371462035.db2.gz WHRANGOZCYPBIK-ZVDSWSACSA-N 2 1 296.455 2.427 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H]1C ZINC000359433746 371462039 /nfs/dbraw/zinc/46/20/39/371462039.db2.gz WHRANGOZCYPBIK-ZVDSWSACSA-N 2 1 296.455 2.427 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000359893194 371492407 /nfs/dbraw/zinc/49/24/07/371492407.db2.gz BUEPLHNXCNYXPI-KFWWJZLASA-N 2 1 264.413 2.042 20 0 CEADMP COCC[C@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681938 371491222 /nfs/dbraw/zinc/49/12/22/371491222.db2.gz ANYKFSYSKNBSDI-AWEZNQCLSA-N 2 1 263.385 2.019 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(OC)c1 ZINC000253194083 371501088 /nfs/dbraw/zinc/50/10/88/371501088.db2.gz PLWJVSJEOHYENA-TZMCWYRMSA-N 2 1 278.396 2.121 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(OC)c1 ZINC000253194083 371501089 /nfs/dbraw/zinc/50/10/89/371501089.db2.gz PLWJVSJEOHYENA-TZMCWYRMSA-N 2 1 278.396 2.121 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c(OC)c1 ZINC000360708034 371529911 /nfs/dbraw/zinc/52/99/11/371529911.db2.gz PWWMQZWUCYKHFM-BBRMVZONSA-N 2 1 292.423 2.176 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3noc4c3CCCC4)C2)CC1 ZINC000639756897 371547083 /nfs/dbraw/zinc/54/70/83/371547083.db2.gz ABCQKIRPTPCWOB-UHFFFAOYSA-N 2 1 289.423 2.471 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760661 371549057 /nfs/dbraw/zinc/54/90/57/371549057.db2.gz ZDDKELVELIUJBC-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639764469 371552698 /nfs/dbraw/zinc/55/26/98/371552698.db2.gz VQUONIRTNAWRGH-QGZVFWFLSA-N 2 1 276.424 2.192 20 0 CEADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639764469 371552701 /nfs/dbraw/zinc/55/27/01/371552701.db2.gz VQUONIRTNAWRGH-QGZVFWFLSA-N 2 1 276.424 2.192 20 0 CEADMP Cc1cccc(C)c1C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764406 371552954 /nfs/dbraw/zinc/55/29/54/371552954.db2.gz VMYFHHUYJUXRLF-KRWDZBQOSA-N 2 1 276.424 2.192 20 0 CEADMP CC[C@@H](C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)OC ZINC000639684091 371492742 /nfs/dbraw/zinc/49/27/42/371492742.db2.gz QPGJHPATEHLJLO-HNNXBMFYSA-N 2 1 263.385 2.019 20 0 CEADMP COCC1(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000639683682 371493977 /nfs/dbraw/zinc/49/39/77/371493977.db2.gz LHLABRSMQLLDSR-UHFFFAOYSA-N 2 1 289.423 2.410 20 0 CEADMP Cn1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(C(F)F)n1 ZINC000360957319 371561271 /nfs/dbraw/zinc/56/12/71/371561271.db2.gz YYKRSYBYHVWGSL-NWDGAFQWSA-N 2 1 286.370 2.320 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(C)C ZINC000360956412 371561673 /nfs/dbraw/zinc/56/16/73/371561673.db2.gz HIBJDQQNQXKGJY-LSDHHAIUSA-N 2 1 283.460 2.001 20 0 CEADMP Cn1cc(C2=CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)cn1 ZINC000639794305 371575013 /nfs/dbraw/zinc/57/50/13/371575013.db2.gz PILNWEAXOYAFTL-QGZVFWFLSA-N 2 1 288.439 2.384 20 0 CEADMP Cn1cc(C2=CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)cn1 ZINC000639794305 371575019 /nfs/dbraw/zinc/57/50/19/371575019.db2.gz PILNWEAXOYAFTL-QGZVFWFLSA-N 2 1 288.439 2.384 20 0 CEADMP Cn1cc(C2=CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000639794305 371575023 /nfs/dbraw/zinc/57/50/23/371575023.db2.gz PILNWEAXOYAFTL-QGZVFWFLSA-N 2 1 288.439 2.384 20 0 CEADMP Cn1cc(C2=CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)cn1 ZINC000639794305 371575030 /nfs/dbraw/zinc/57/50/30/371575030.db2.gz PILNWEAXOYAFTL-QGZVFWFLSA-N 2 1 288.439 2.384 20 0 CEADMP CO[C@H](C)C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000361032754 371610033 /nfs/dbraw/zinc/61/00/33/371610033.db2.gz HQXZJPNPIUTKCQ-CYBMUJFWSA-N 2 1 292.427 2.029 20 0 CEADMP CO[C@H](C)C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000361032754 371610041 /nfs/dbraw/zinc/61/00/41/371610041.db2.gz HQXZJPNPIUTKCQ-CYBMUJFWSA-N 2 1 292.427 2.029 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261599306 371671117 /nfs/dbraw/zinc/67/11/17/371671117.db2.gz PLUWKFKYIRRZSD-LSDHHAIUSA-N 2 1 260.381 2.127 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261599306 371671125 /nfs/dbraw/zinc/67/11/25/371671125.db2.gz PLUWKFKYIRRZSD-LSDHHAIUSA-N 2 1 260.381 2.127 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000261608328 371675876 /nfs/dbraw/zinc/67/58/76/371675876.db2.gz DJLIOBPXPIZABE-HIFRSBDPSA-N 2 1 290.407 2.054 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000261608328 371675881 /nfs/dbraw/zinc/67/58/81/371675881.db2.gz DJLIOBPXPIZABE-HIFRSBDPSA-N 2 1 290.407 2.054 20 0 CEADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261609307 371677347 /nfs/dbraw/zinc/67/73/47/371677347.db2.gz DPXRKECSYAELES-WMZOPIPTSA-N 2 1 285.435 2.044 20 0 CEADMP C[C@H](N[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539122 371639690 /nfs/dbraw/zinc/63/96/90/371639690.db2.gz BPYNFRVXFBANBL-RYQLBKOJSA-N 2 1 287.451 2.239 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(N)c2)C1 ZINC000261706897 371707466 /nfs/dbraw/zinc/70/74/66/371707466.db2.gz PEQTXNZZHIHRAF-OAHLLOKOSA-N 2 1 261.413 2.433 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261706897 371707468 /nfs/dbraw/zinc/70/74/68/371707468.db2.gz PEQTXNZZHIHRAF-OAHLLOKOSA-N 2 1 261.413 2.433 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261712977 371709058 /nfs/dbraw/zinc/70/90/58/371709058.db2.gz PGQMTLBSTXNQNV-LSDHHAIUSA-N 2 1 290.407 2.005 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261712977 371709064 /nfs/dbraw/zinc/70/90/64/371709064.db2.gz PGQMTLBSTXNQNV-LSDHHAIUSA-N 2 1 290.407 2.005 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)cn1 ZINC000261717635 371710136 /nfs/dbraw/zinc/71/01/36/371710136.db2.gz PSBUQKKFVXZVBR-NVXWUHKLSA-N 2 1 282.391 2.056 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983343 371711046 /nfs/dbraw/zinc/71/10/46/371711046.db2.gz DYTCNGBBHPZNEM-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261653720 371693670 /nfs/dbraw/zinc/69/36/70/371693670.db2.gz YMKWJWJEJCSELI-MRXNPFEDSA-N 2 1 262.397 2.353 20 0 CEADMP CC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCOC1 ZINC000361175233 371698778 /nfs/dbraw/zinc/69/87/78/371698778.db2.gz MYOBQMIQRKGFKF-HZPDHXFCSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000261692871 371703177 /nfs/dbraw/zinc/70/31/77/371703177.db2.gz KTTMYPTUAMVSDG-MRXNPFEDSA-N 2 1 288.370 2.387 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000261692871 371703181 /nfs/dbraw/zinc/70/31/81/371703181.db2.gz KTTMYPTUAMVSDG-MRXNPFEDSA-N 2 1 288.370 2.387 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H](CC(F)(F)F)[C@@H]1C ZINC000640026124 371743495 /nfs/dbraw/zinc/74/34/95/371743495.db2.gz YDZZNEQZTZVXMP-VOAKCMCISA-N 2 1 296.377 2.350 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H](CC(F)(F)F)[C@@H]1C ZINC000640026124 371743502 /nfs/dbraw/zinc/74/35/02/371743502.db2.gz YDZZNEQZTZVXMP-VOAKCMCISA-N 2 1 296.377 2.350 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)C[C@@H](CC(F)(F)F)[C@@H]1C ZINC000640026124 371743510 /nfs/dbraw/zinc/74/35/10/371743510.db2.gz YDZZNEQZTZVXMP-VOAKCMCISA-N 2 1 296.377 2.350 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)C[C@@H](CC(F)(F)F)[C@@H]1C ZINC000640026124 371743518 /nfs/dbraw/zinc/74/35/18/371743518.db2.gz YDZZNEQZTZVXMP-VOAKCMCISA-N 2 1 296.377 2.350 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000261890757 371763252 /nfs/dbraw/zinc/76/32/52/371763252.db2.gz WKTVDFHVFQBGMM-JKSUJKDBSA-N 2 1 295.471 2.004 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000261949707 371781045 /nfs/dbraw/zinc/78/10/45/371781045.db2.gz NSHUBCFMJJPJDT-SNVBAGLBSA-N 2 1 251.399 2.191 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000261949707 371781053 /nfs/dbraw/zinc/78/10/53/371781053.db2.gz NSHUBCFMJJPJDT-SNVBAGLBSA-N 2 1 251.399 2.191 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261982272 371790162 /nfs/dbraw/zinc/79/01/62/371790162.db2.gz RLBMBPZMIJYITI-NUEKZKHPSA-N 2 1 276.428 2.332 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000261819234 371742063 /nfs/dbraw/zinc/74/20/63/371742063.db2.gz IFRAJDQRIJJMCX-NSHDSACASA-N 2 1 264.373 2.345 20 0 CEADMP CCC[N@H+]1CCC[C@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000261819234 371742070 /nfs/dbraw/zinc/74/20/70/371742070.db2.gz IFRAJDQRIJJMCX-NSHDSACASA-N 2 1 264.373 2.345 20 0 CEADMP C[N@H+](Cc1c[nH]nc1-c1ccsc1)C1CC[NH2+]CC1 ZINC000262002265 371797018 /nfs/dbraw/zinc/79/70/18/371797018.db2.gz UFQLWXXOPMUQCU-UHFFFAOYSA-N 2 1 276.409 2.322 20 0 CEADMP C[N@@H+](Cc1c[nH]nc1-c1ccsc1)C1CC[NH2+]CC1 ZINC000262002265 371797022 /nfs/dbraw/zinc/79/70/22/371797022.db2.gz UFQLWXXOPMUQCU-UHFFFAOYSA-N 2 1 276.409 2.322 20 0 CEADMP c1nn([C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)c2ccccc12 ZINC000262022085 371801002 /nfs/dbraw/zinc/80/10/02/371801002.db2.gz WHGGWMUOABISCZ-MRXNPFEDSA-N 2 1 284.407 2.283 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000640098615 371810518 /nfs/dbraw/zinc/81/05/18/371810518.db2.gz FOXMRECLXIBKIW-PMPSAXMXSA-N 2 1 268.445 2.344 20 0 CEADMP COc1ccc([C@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000262075233 371819751 /nfs/dbraw/zinc/81/97/51/371819751.db2.gz SLQHHAPDYATAMV-RDJZCZTQSA-N 2 1 274.408 2.484 20 0 CEADMP CO[C@H](C)[C@@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000361529445 371900847 /nfs/dbraw/zinc/90/08/47/371900847.db2.gz YBLGNIUNHDBXKE-ZIAGYGMSSA-N 2 1 277.412 2.372 20 0 CEADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000263184164 371930912 /nfs/dbraw/zinc/93/09/12/371930912.db2.gz HCNDOSQKFBQADF-LXZKKBNFSA-N 2 1 293.455 2.027 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000361612576 371978202 /nfs/dbraw/zinc/97/82/02/371978202.db2.gz WXRQMUFEFRSNFA-UHFFFAOYSA-N 2 1 283.460 2.134 20 0 CEADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530656 372021987 /nfs/dbraw/zinc/02/19/87/372021987.db2.gz FWMXHEWYVRVUKH-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183653610 321721132 /nfs/dbraw/zinc/72/11/32/321721132.db2.gz MXQJXRDSVNLKOP-GXTWGEPZSA-N 2 1 251.374 2.129 20 0 CEADMP CC[C@]1(C)CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000344221833 217103882 /nfs/dbraw/zinc/10/38/82/217103882.db2.gz SSFUSHVOHRZBFG-QGZVFWFLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361888462 372115483 /nfs/dbraw/zinc/11/54/83/372115483.db2.gz JNAAEGVZVXJTCM-NVXWUHKLSA-N 2 1 276.424 2.402 20 0 CEADMP CCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361888462 372115484 /nfs/dbraw/zinc/11/54/84/372115484.db2.gz JNAAEGVZVXJTCM-NVXWUHKLSA-N 2 1 276.424 2.402 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000362016616 372173486 /nfs/dbraw/zinc/17/34/86/372173486.db2.gz ASYYMOMTGLBXSB-HUUCEWRRSA-N 2 1 273.384 2.162 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)[C@H](C)C1 ZINC000268808262 372232433 /nfs/dbraw/zinc/23/24/33/372232433.db2.gz MZBJHTFYNUSUCD-CZUORRHYSA-N 2 1 262.397 2.255 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)cc1 ZINC000268807360 372232547 /nfs/dbraw/zinc/23/25/47/372232547.db2.gz FZUVKIKDKRUILS-WFASDCNBSA-N 2 1 298.390 2.062 20 0 CEADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268930431 372291275 /nfs/dbraw/zinc/29/12/75/372291275.db2.gz ZKBFLBABBHRUSI-HLLBOEOZSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000268933110 372292929 /nfs/dbraw/zinc/29/29/29/372292929.db2.gz TVILEAUTQDKCAE-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000268942210 372296657 /nfs/dbraw/zinc/29/66/57/372296657.db2.gz AMXAPVCDYGJSOK-XIRDDKMYSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000268942210 372296664 /nfs/dbraw/zinc/29/66/64/372296664.db2.gz AMXAPVCDYGJSOK-XIRDDKMYSA-N 2 1 276.424 2.258 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2ccsc2)[C@@H](C)C1 ZINC000268943566 372297747 /nfs/dbraw/zinc/29/77/47/372297747.db2.gz AVWZRJFEDNNLNL-AEGPPILISA-N 2 1 282.453 2.276 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000268847410 372253301 /nfs/dbraw/zinc/25/33/01/372253301.db2.gz XFALLGCFWBDKLI-LBPRGKRZSA-N 2 1 287.363 2.314 20 0 CEADMP Cc1[nH]c(Cn2cc(C[NH2+]C3CCCCC3)nn2)[nH+]c1C ZINC000641157003 372354455 /nfs/dbraw/zinc/35/44/55/372354455.db2.gz RQOBBRXKMNTCJC-UHFFFAOYSA-N 2 1 288.399 2.089 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000344355773 217166880 /nfs/dbraw/zinc/16/68/80/217166880.db2.gz UGSXTSCQSONXTL-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccncc1F ZINC000641265719 372423648 /nfs/dbraw/zinc/42/36/48/372423648.db2.gz IABWFUFCHDUGAD-GFCCVEGCSA-N 2 1 251.349 2.319 20 0 CEADMP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+]1CCCC[C@H]1C ZINC000362566086 372430233 /nfs/dbraw/zinc/43/02/33/372430233.db2.gz FNFUBHNNOUAVKM-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]Cc2cc[nH]c2)[C@@H](c2ccccc2)C1 ZINC000364077298 372661773 /nfs/dbraw/zinc/66/17/73/372661773.db2.gz PVMUFXBQWHRGNS-GOSISDBHSA-N 2 1 298.434 2.093 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000344513981 217216197 /nfs/dbraw/zinc/21/61/97/217216197.db2.gz BRMSPKAUMKJMMF-KBAYOESNSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000344513981 217216201 /nfs/dbraw/zinc/21/62/01/217216201.db2.gz BRMSPKAUMKJMMF-KBAYOESNSA-N 2 1 288.435 2.402 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641774680 372717539 /nfs/dbraw/zinc/71/75/39/372717539.db2.gz SEEWCHCQWIVZOR-CYBMUJFWSA-N 2 1 288.395 2.090 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641769668 372711264 /nfs/dbraw/zinc/71/12/64/372711264.db2.gz XTBHHLODNHCCLK-UHFFFAOYSA-N 2 1 290.411 2.336 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641769668 372711270 /nfs/dbraw/zinc/71/12/70/372711270.db2.gz XTBHHLODNHCCLK-UHFFFAOYSA-N 2 1 290.411 2.336 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)o1 ZINC000641799574 372740693 /nfs/dbraw/zinc/74/06/93/372740693.db2.gz XMFGTKPMKVSLOE-JQWIXIFHSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641803213 372747542 /nfs/dbraw/zinc/74/75/42/372747542.db2.gz BOPUXTBUJQFFTJ-CQDKDKBSSA-N 2 1 289.423 2.291 20 0 CEADMP Cc1cc(C)c(NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c(C)c1 ZINC000641808323 372757097 /nfs/dbraw/zinc/75/70/97/372757097.db2.gz XYMVYCWZBFTFJL-UONOGXRCSA-N 2 1 289.423 2.266 20 0 CEADMP C[C@@H](CCN[C@H]1C[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000344608953 217248469 /nfs/dbraw/zinc/24/84/69/217248469.db2.gz HENBMMXLFUTDQZ-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](CCN[C@H]1C[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000344608953 217248470 /nfs/dbraw/zinc/24/84/70/217248470.db2.gz HENBMMXLFUTDQZ-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](CCN[C@H]1C[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000344608953 217248473 /nfs/dbraw/zinc/24/84/73/217248473.db2.gz HENBMMXLFUTDQZ-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](CC[NH2+][C@H]1CN(C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000344608953 217248476 /nfs/dbraw/zinc/24/84/76/217248476.db2.gz HENBMMXLFUTDQZ-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](CC[NH2+][C@H]1CN(C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000344608953 217248479 /nfs/dbraw/zinc/24/84/79/217248479.db2.gz HENBMMXLFUTDQZ-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cn3ccccc3n2)[C@H]2CCC[C@H]21 ZINC000353452277 220089863 /nfs/dbraw/zinc/08/98/63/220089863.db2.gz ZNAWKXMSYJXQLT-OWCLPIDISA-N 2 1 284.407 2.297 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn3ccccc3n2)[C@H]2CCC[C@H]21 ZINC000353452277 220089865 /nfs/dbraw/zinc/08/98/65/220089865.db2.gz ZNAWKXMSYJXQLT-OWCLPIDISA-N 2 1 284.407 2.297 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccco1 ZINC000353456731 220092785 /nfs/dbraw/zinc/09/27/85/220092785.db2.gz WSNITJZGEKSUQN-XUWVNRHRSA-N 2 1 291.439 2.345 20 0 CEADMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cn1 ZINC000353455169 220093942 /nfs/dbraw/zinc/09/39/42/220093942.db2.gz PLUZOWGEOKSXFY-BZUAXINKSA-N 2 1 288.439 2.110 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000344676557 217271609 /nfs/dbraw/zinc/27/16/09/217271609.db2.gz ULTLBZMRYXRRMZ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344676557 217271613 /nfs/dbraw/zinc/27/16/13/217271613.db2.gz ULTLBZMRYXRRMZ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344676557 217271614 /nfs/dbraw/zinc/27/16/14/217271614.db2.gz ULTLBZMRYXRRMZ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H](C(F)(F)F)O1 ZINC000643058122 372938140 /nfs/dbraw/zinc/93/81/40/372938140.db2.gz DGILGALSUXXHFZ-IJLUTSLNSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H](C(F)(F)F)O1 ZINC000643058122 372938152 /nfs/dbraw/zinc/93/81/52/372938152.db2.gz DGILGALSUXXHFZ-IJLUTSLNSA-N 2 1 280.334 2.028 20 0 CEADMP C1=CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000643251820 372997454 /nfs/dbraw/zinc/99/74/54/372997454.db2.gz FJTCGHIKWZGAFZ-UHFFFAOYSA-N 2 1 272.392 2.281 20 0 CEADMP C1=CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000643251820 372997459 /nfs/dbraw/zinc/99/74/59/372997459.db2.gz FJTCGHIKWZGAFZ-UHFFFAOYSA-N 2 1 272.392 2.281 20 0 CEADMP Cn1ncc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc21 ZINC000643318766 373050332 /nfs/dbraw/zinc/05/03/32/373050332.db2.gz CFBMZVAQZRVBJZ-HOTGVXAUSA-N 2 1 284.407 2.290 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cn[nH]c1 ZINC000366692178 373107388 /nfs/dbraw/zinc/10/73/88/373107388.db2.gz CLQZCFFDEOKQPB-LBPRGKRZSA-N 2 1 262.401 2.467 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C12CCC2 ZINC000643501835 373159889 /nfs/dbraw/zinc/15/98/89/373159889.db2.gz QYEKCQDNMRJLQA-BFHYXJOUSA-N 2 1 252.402 2.066 20 0 CEADMP c1[nH]nc2c1[C@@H]([NH2+]CCC[NH+]1CCCCC1)CCC2 ZINC000367617704 373168147 /nfs/dbraw/zinc/16/81/47/373168147.db2.gz RDDZIARKBPWYTJ-AWEZNQCLSA-N 2 1 262.401 2.253 20 0 CEADMP CC(C)c1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)on1 ZINC000643455040 373125990 /nfs/dbraw/zinc/12/59/90/373125990.db2.gz ZIIBNIOPTCLAHS-WCQYABFASA-N 2 1 251.374 2.276 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CCCC[C@@H]3O)C2)CC1 ZINC000366909771 373128896 /nfs/dbraw/zinc/12/88/96/373128896.db2.gz GUMIIPNXLKRAIV-CABCVRRESA-N 2 1 266.429 2.098 20 0 CEADMP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000643525677 373180089 /nfs/dbraw/zinc/18/00/89/373180089.db2.gz AKAZTHAUMBNXCM-JQWIXIFHSA-N 2 1 252.358 2.092 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000643525679 373180298 /nfs/dbraw/zinc/18/02/98/373180298.db2.gz AKAZTHAUMBNXCM-ZYHUDNBSSA-N 2 1 252.358 2.092 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])c(C)c1OC ZINC000643526769 373182355 /nfs/dbraw/zinc/18/23/55/373182355.db2.gz GBGBVLGWIMHJLT-KOLCDFICSA-N 2 1 252.358 2.010 20 0 CEADMP CC(C)[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000643529331 373186449 /nfs/dbraw/zinc/18/64/49/373186449.db2.gz YTEYEGFRKXUJGJ-NOZJJQNGSA-N 2 1 263.341 2.167 20 0 CEADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1OC ZINC000643528705 373186739 /nfs/dbraw/zinc/18/67/39/373186739.db2.gz NIMOYFDKXSPFSH-GHMZBOCLSA-N 2 1 252.358 2.010 20 0 CEADMP COC(=O)[C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CCCC[NH+]1C)C2 ZINC000367809844 373191530 /nfs/dbraw/zinc/19/15/30/373191530.db2.gz JYPSVORWTBLYFS-UXLLHSPISA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@]12CCC[C@H]1C[NH+](CC[C@H]1CCCC[N@@H+]1C)C2 ZINC000367809844 373191540 /nfs/dbraw/zinc/19/15/40/373191540.db2.gz JYPSVORWTBLYFS-UXLLHSPISA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@]12CCC[C@H]1C[NH+](CC[C@H]1CCCC[N@H+]1C)C2 ZINC000367809844 373191550 /nfs/dbraw/zinc/19/15/50/373191550.db2.gz JYPSVORWTBLYFS-UXLLHSPISA-N 2 1 294.439 2.136 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546744 373204355 /nfs/dbraw/zinc/20/43/55/373204355.db2.gz UHQFIPKLIYJLIS-YPMHNXCESA-N 2 1 262.401 2.054 20 0 CEADMP CCOC(=O)C1CCC([NH2+]CCCn2cc[nH+]c2C)CC1 ZINC000271994222 373252180 /nfs/dbraw/zinc/25/21/80/373252180.db2.gz GTCZPTQNSFLDNI-UHFFFAOYSA-N 2 1 293.411 2.293 20 0 CEADMP CC(C)c1noc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)n1 ZINC000643895312 373298112 /nfs/dbraw/zinc/29/81/12/373298112.db2.gz WOQANFDEPMOOFP-GFCCVEGCSA-N 2 1 278.400 2.157 20 0 CEADMP C[N@@H+](Cc1cc(O)cc(F)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369281272 373376377 /nfs/dbraw/zinc/37/63/77/373376377.db2.gz VOSRIYBXHUNWGN-LBPRGKRZSA-N 2 1 289.354 2.422 20 0 CEADMP C[N@H+](Cc1cc(O)cc(F)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369281272 373376386 /nfs/dbraw/zinc/37/63/86/373376386.db2.gz VOSRIYBXHUNWGN-LBPRGKRZSA-N 2 1 289.354 2.422 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353609626 220188184 /nfs/dbraw/zinc/18/81/84/220188184.db2.gz UGLAEORTBYJYLS-JKJDWNRSSA-N 2 1 294.439 2.181 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)[nH]n1 ZINC000353622866 220199404 /nfs/dbraw/zinc/19/94/04/220199404.db2.gz OTRGGJYOTSNFLK-DANNLKNASA-N 2 1 276.428 2.112 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n[nH]1 ZINC000353622866 220199406 /nfs/dbraw/zinc/19/94/06/220199406.db2.gz OTRGGJYOTSNFLK-DANNLKNASA-N 2 1 276.428 2.112 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n[nH]1 ZINC000353622866 220199408 /nfs/dbraw/zinc/19/94/08/220199408.db2.gz OTRGGJYOTSNFLK-DANNLKNASA-N 2 1 276.428 2.112 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3cc[nH]c3n2)[C@H](C)C1 ZINC000353625904 220202621 /nfs/dbraw/zinc/20/26/21/220202621.db2.gz HLGFIKHKQYPNBS-IUODEOHRSA-N 2 1 272.396 2.383 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3cc[nH]c3n2)[C@H](C)C1 ZINC000353625904 220202623 /nfs/dbraw/zinc/20/26/23/220202623.db2.gz HLGFIKHKQYPNBS-IUODEOHRSA-N 2 1 272.396 2.383 20 0 CEADMP CC(C)[NH+]1CCC(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000132638922 220206610 /nfs/dbraw/zinc/20/66/10/220206610.db2.gz FDDUDYLNVPPFQR-DZGCQCFKSA-N 2 1 265.445 2.074 20 0 CEADMP Cc1cc(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)ccn1 ZINC000272737800 373635006 /nfs/dbraw/zinc/63/50/06/373635006.db2.gz QLCGFYIMSDZOFD-LBPRGKRZSA-N 2 1 274.368 2.162 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CCC[NH+](C2CC2)CC1 ZINC000370488556 373666784 /nfs/dbraw/zinc/66/67/84/373666784.db2.gz PNOPPJRASJUFFL-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1CCC[N@@H+](C2CC2)CC1 ZINC000370488556 373666789 /nfs/dbraw/zinc/66/67/89/373666789.db2.gz PNOPPJRASJUFFL-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1CCC[N@H+](C2CC2)CC1 ZINC000370488556 373666792 /nfs/dbraw/zinc/66/67/92/373666792.db2.gz PNOPPJRASJUFFL-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP C1=CO[C@H](C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000370692929 373718950 /nfs/dbraw/zinc/71/89/50/373718950.db2.gz WCEOUEONDAMZIE-FXUDXRNXSA-N 2 1 262.397 2.095 20 0 CEADMP C1=CO[C@H](C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000370692929 373718959 /nfs/dbraw/zinc/71/89/59/373718959.db2.gz WCEOUEONDAMZIE-FXUDXRNXSA-N 2 1 262.397 2.095 20 0 CEADMP C1=CO[C@H](C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000370692929 373718965 /nfs/dbraw/zinc/71/89/65/373718965.db2.gz WCEOUEONDAMZIE-FXUDXRNXSA-N 2 1 262.397 2.095 20 0 CEADMP COCC(C)(C)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000644841454 373738188 /nfs/dbraw/zinc/73/81/88/373738188.db2.gz WQJMCZCGAHPIQB-UHFFFAOYSA-N 2 1 294.439 2.484 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000272970570 373739669 /nfs/dbraw/zinc/73/96/69/373739669.db2.gz OWRDINVMVZWGRW-ZDUSSCGKSA-N 2 1 271.364 2.475 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000272970570 373739674 /nfs/dbraw/zinc/73/96/74/373739674.db2.gz OWRDINVMVZWGRW-ZDUSSCGKSA-N 2 1 271.364 2.475 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000371264679 373825168 /nfs/dbraw/zinc/82/51/68/373825168.db2.gz PVUHGTPQZDYERJ-FVQBIDKESA-N 2 1 293.455 2.027 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccs1 ZINC000371470668 373893775 /nfs/dbraw/zinc/89/37/75/373893775.db2.gz NKMSODYNNIEYAW-VHDGCEQUSA-N 2 1 280.437 2.432 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)o1 ZINC000371332837 373842884 /nfs/dbraw/zinc/84/28/84/373842884.db2.gz BFAGBFSFRCMZAH-INIZCTEOSA-N 2 1 291.439 2.188 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)CC1 ZINC000371337133 373845583 /nfs/dbraw/zinc/84/55/83/373845583.db2.gz SJXDEWPKZHZUSS-ROUUACIJSA-N 2 1 291.483 2.443 20 0 CEADMP Cc1nccn1CCC[N@@H+]1CCC[C@H]1c1cnn(C)c1C ZINC000371378982 373861713 /nfs/dbraw/zinc/86/17/13/373861713.db2.gz NCVKOGJMMCKIAP-INIZCTEOSA-N 2 1 287.411 2.461 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1cnn(C)c1C ZINC000371378982 373861725 /nfs/dbraw/zinc/86/17/25/373861725.db2.gz NCVKOGJMMCKIAP-INIZCTEOSA-N 2 1 287.411 2.461 20 0 CEADMP Cc1nccn1CCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000371691819 373950544 /nfs/dbraw/zinc/95/05/44/373950544.db2.gz DEFINSHMOTWQCI-UHFFFAOYSA-N 2 1 276.428 2.142 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000372069135 374037005 /nfs/dbraw/zinc/03/70/05/374037005.db2.gz WMZQJWISTRQNGX-IAGOWNOFSA-N 2 1 289.423 2.442 20 0 CEADMP CC(C)COCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000372816057 374205900 /nfs/dbraw/zinc/20/59/00/374205900.db2.gz XASBERKTFXNSMH-HUUCEWRRSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)COCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000372816057 374205906 /nfs/dbraw/zinc/20/59/06/374205906.db2.gz XASBERKTFXNSMH-HUUCEWRRSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)COCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000372816057 374205910 /nfs/dbraw/zinc/20/59/10/374205910.db2.gz XASBERKTFXNSMH-HUUCEWRRSA-N 2 1 254.418 2.075 20 0 CEADMP COC[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000372834455 374209338 /nfs/dbraw/zinc/20/93/38/374209338.db2.gz CDVWBUGVUHKWQT-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[C@H](C)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000373214369 374297060 /nfs/dbraw/zinc/29/70/60/374297060.db2.gz DFDOXXUFALZOHJ-HOTGVXAUSA-N 2 1 267.461 2.134 20 0 CEADMP Cc1cccc(CCC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000573696741 299453800 /nfs/dbraw/zinc/45/38/00/299453800.db2.gz VWFUJQACVJFHFN-UHFFFAOYSA-N 2 1 284.407 2.473 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccsc2)CCN1C1CC[NH+](C)CC1 ZINC000334146155 206078476 /nfs/dbraw/zinc/07/84/76/206078476.db2.gz BMZASUUIUDOWMK-AWEZNQCLSA-N 2 1 293.480 2.348 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccsc2)CCN1C1CC[NH+](C)CC1 ZINC000334146155 206078480 /nfs/dbraw/zinc/07/84/80/206078480.db2.gz BMZASUUIUDOWMK-AWEZNQCLSA-N 2 1 293.480 2.348 20 0 CEADMP C([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCSC1 ZINC000373911971 374447090 /nfs/dbraw/zinc/44/70/90/374447090.db2.gz OQYSNARDLSYZSE-CHWSQXEVSA-N 2 1 254.443 2.346 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCSC1 ZINC000373911971 374447098 /nfs/dbraw/zinc/44/70/98/374447098.db2.gz OQYSNARDLSYZSE-CHWSQXEVSA-N 2 1 254.443 2.346 20 0 CEADMP COC(=O)[C@]1(C)C[N@H+](CCCCn2cc[nH+]c2C)C[C@H]1C ZINC000374366975 374555166 /nfs/dbraw/zinc/55/51/66/374555166.db2.gz UNNCHHJUZGTWSP-CZUORRHYSA-N 2 1 293.411 2.103 20 0 CEADMP COC(=O)[C@]1(C)C[N@@H+](CCCCn2cc[nH+]c2C)C[C@H]1C ZINC000374366975 374555172 /nfs/dbraw/zinc/55/51/72/374555172.db2.gz UNNCHHJUZGTWSP-CZUORRHYSA-N 2 1 293.411 2.103 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccn1 ZINC000277666550 374602261 /nfs/dbraw/zinc/60/22/61/374602261.db2.gz WZTBNBCHIZBCJN-STQMWFEESA-N 2 1 256.353 2.191 20 0 CEADMP Cc1ccc(CCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000684357783 541981630 /nfs/dbraw/zinc/98/16/30/541981630.db2.gz PMJVEJSOSDVNBA-UHFFFAOYSA-N 2 1 261.413 2.349 20 0 CEADMP CCCCOCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000375839884 374683660 /nfs/dbraw/zinc/68/36/60/374683660.db2.gz NWRCUDBXHWBKJC-GVDBMIGSSA-N 2 1 298.471 2.282 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000278416733 374810654 /nfs/dbraw/zinc/81/06/54/374810654.db2.gz PYCQERBOVQXDQQ-LBPRGKRZSA-N 2 1 265.376 2.351 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000684368453 541984741 /nfs/dbraw/zinc/98/47/41/541984741.db2.gz OVYDSFMKMBNHPK-VHDGCEQUSA-N 2 1 265.401 2.375 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H](OC)C1)[NH+]1CCCC1 ZINC000684368934 541985105 /nfs/dbraw/zinc/98/51/05/541985105.db2.gz HKDYHQUHCPJTQD-KFWWJZLASA-N 2 1 254.418 2.408 20 0 CEADMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1O ZINC000377833056 374959969 /nfs/dbraw/zinc/95/99/69/374959969.db2.gz DCBVUZDTQNJXOH-LSDHHAIUSA-N 2 1 290.407 2.317 20 0 CEADMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1O ZINC000377833056 374959974 /nfs/dbraw/zinc/95/99/74/374959974.db2.gz DCBVUZDTQNJXOH-LSDHHAIUSA-N 2 1 290.407 2.317 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2C)[C@H]1C ZINC000279811624 374996057 /nfs/dbraw/zinc/99/60/57/374996057.db2.gz FRSOYLHXRXATIM-AEGPPILISA-N 2 1 293.411 2.149 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(F)nc3)C2)CC1 ZINC000377881842 374973143 /nfs/dbraw/zinc/97/31/43/374973143.db2.gz ACMYTBQRFFYNNF-OAHLLOKOSA-N 2 1 277.387 2.384 20 0 CEADMP Cc1[nH+]ccn1CCCCN1CCC[C@@H]1c1ncon1 ZINC000378353709 375081871 /nfs/dbraw/zinc/08/18/71/375081871.db2.gz GZPMMUWISLYXPE-CYBMUJFWSA-N 2 1 275.356 2.192 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(O)c1 ZINC000378370354 375083125 /nfs/dbraw/zinc/08/31/25/375083125.db2.gz LDNNITRCZWHQAF-DJIMGWMZSA-N 2 1 290.407 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(O)c1 ZINC000378370354 375083133 /nfs/dbraw/zinc/08/31/33/375083133.db2.gz LDNNITRCZWHQAF-DJIMGWMZSA-N 2 1 290.407 2.076 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000379627359 375154048 /nfs/dbraw/zinc/15/40/48/375154048.db2.gz MWUVIBAJXCKTOM-NJAFHUGGSA-N 2 1 287.451 2.381 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000380897455 375167298 /nfs/dbraw/zinc/16/72/98/375167298.db2.gz APHDGFTWKJQPDG-RCCFBDPRSA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000380897455 375167306 /nfs/dbraw/zinc/16/73/06/375167306.db2.gz APHDGFTWKJQPDG-RCCFBDPRSA-N 3 1 287.451 2.368 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000380897455 375167313 /nfs/dbraw/zinc/16/73/13/375167313.db2.gz APHDGFTWKJQPDG-RCCFBDPRSA-N 3 1 287.451 2.368 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000380897454 375167383 /nfs/dbraw/zinc/16/73/83/375167383.db2.gz APHDGFTWKJQPDG-KZNAEPCWSA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000380897454 375167389 /nfs/dbraw/zinc/16/73/89/375167389.db2.gz APHDGFTWKJQPDG-KZNAEPCWSA-N 3 1 287.451 2.368 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000380897454 375167396 /nfs/dbraw/zinc/16/73/96/375167396.db2.gz APHDGFTWKJQPDG-KZNAEPCWSA-N 3 1 287.451 2.368 20 0 CEADMP C[C@@H](C1CC1)[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000385547396 375234243 /nfs/dbraw/zinc/23/42/43/375234243.db2.gz GZYZMQUWRULLHN-INIZCTEOSA-N 2 1 287.451 2.192 20 0 CEADMP c1ccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)no2)cc1 ZINC000389728647 375305947 /nfs/dbraw/zinc/30/59/47/375305947.db2.gz QCAHEJFTDHLCSA-GASCZTMLSA-N 2 1 298.390 2.168 20 0 CEADMP c1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)no2)cc1 ZINC000389728647 375305955 /nfs/dbraw/zinc/30/59/55/375305955.db2.gz QCAHEJFTDHLCSA-GASCZTMLSA-N 2 1 298.390 2.168 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1CC[NH+](C)CC1 ZINC000389857520 375308428 /nfs/dbraw/zinc/30/84/28/375308428.db2.gz CIHWMYFLMSZDIC-MAUKXSAKSA-N 2 1 287.451 2.191 20 0 CEADMP CCc1cc(N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)nc(C)[nH+]1 ZINC000397286773 375340202 /nfs/dbraw/zinc/34/02/02/375340202.db2.gz VASYWFRHWOXHCQ-GVXVVHGQSA-N 2 1 262.401 2.157 20 0 CEADMP CC[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC ZINC000412976685 375773454 /nfs/dbraw/zinc/77/34/54/375773454.db2.gz JWRLTPWSEWSBKS-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CCc1ncc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC000414283873 375820525 /nfs/dbraw/zinc/82/05/25/375820525.db2.gz GALILCDWKUPIDS-CQSZACIVSA-N 2 1 276.428 2.251 20 0 CEADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000414189282 375800486 /nfs/dbraw/zinc/80/04/86/375800486.db2.gz RSTAULSXHFQXIO-KDQUWOQTSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](CCO)Cc2cccc(F)c2)CC[NH2+]1 ZINC000414763012 375954633 /nfs/dbraw/zinc/95/46/33/375954633.db2.gz WWAZGVPNLMTFFF-DZGCQCFKSA-N 2 1 280.387 2.008 20 0 CEADMP C[C@@H](CCc1ccccc1F)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414796399 375980572 /nfs/dbraw/zinc/98/05/72/375980572.db2.gz AGOWWYJQJMLIDN-NHYWBVRUSA-N 2 1 250.361 2.474 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414782845 375968297 /nfs/dbraw/zinc/96/82/97/375968297.db2.gz PCZFPEKUXYNWKQ-JKSUJKDBSA-N 2 1 276.428 2.286 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414697889 375926305 /nfs/dbraw/zinc/92/63/05/375926305.db2.gz COMYRMFPDSVMMP-HRCADAONSA-N 2 1 295.471 2.084 20 0 CEADMP Cc1cnc(CC[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414704708 375932058 /nfs/dbraw/zinc/93/20/58/375932058.db2.gz KTXPRPBTBVYMFX-AAEUAGOBSA-N 2 1 267.442 2.314 20 0 CEADMP CCN(Cc1ncc(C[NH+](C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000414711278 375935616 /nfs/dbraw/zinc/93/56/16/375935616.db2.gz HNBBQERFKNJCBF-CYBMUJFWSA-N 2 1 296.484 2.169 20 0 CEADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000414717241 375938549 /nfs/dbraw/zinc/93/85/49/375938549.db2.gz XXWOELNQMOLALC-VQHPVUNQSA-N 3 1 279.472 2.322 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCCC2(CCOCC2)C1 ZINC000414746780 375947224 /nfs/dbraw/zinc/94/72/24/375947224.db2.gz SVHDPLLGDPREHO-AWEZNQCLSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000414753192 375951523 /nfs/dbraw/zinc/95/15/23/375951523.db2.gz DIMUXTOYGAWVOY-MJBXVCDLSA-N 2 1 256.434 2.089 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000414753192 375951527 /nfs/dbraw/zinc/95/15/27/375951527.db2.gz DIMUXTOYGAWVOY-MJBXVCDLSA-N 2 1 256.434 2.089 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCN(c2ccccn2)CC1 ZINC000414808177 375994023 /nfs/dbraw/zinc/99/40/23/375994023.db2.gz DPIVRNTVHMJQJJ-HNNXBMFYSA-N 2 1 276.428 2.158 20 0 CEADMP CCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414807778 375994067 /nfs/dbraw/zinc/99/40/67/375994067.db2.gz DEGFMIWXCSJIQG-YIONKMFJSA-N 2 1 260.381 2.458 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+]CC([NH3+])(CC)CC ZINC000414812736 376000241 /nfs/dbraw/zinc/00/02/41/376000241.db2.gz RPRJIEQSKCYMGE-UHFFFAOYSA-N 2 1 266.433 2.152 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000414931735 376013313 /nfs/dbraw/zinc/01/33/13/376013313.db2.gz QHPBJZXMENYFBI-KBAYOESNSA-N 2 1 287.451 2.239 20 0 CEADMP COc1cc2c(c(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C)c1)O[C@@H](C)C2 ZINC000414955550 376014143 /nfs/dbraw/zinc/01/41/43/376014143.db2.gz MAYIYLJWTMKCAN-BFQNTYOBSA-N 2 1 290.407 2.106 20 0 CEADMP Cc1nc2ccc(C[NH2+][C@@H](C[NH3+])C3CC3)cc2s1 ZINC000414803990 375989594 /nfs/dbraw/zinc/98/95/94/375989594.db2.gz KAEYHLRXCZEPHU-ZDUSSCGKSA-N 2 1 261.394 2.432 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000286878613 376090384 /nfs/dbraw/zinc/09/03/84/376090384.db2.gz CHUXRSWFQFWGKJ-VYDXJSESSA-N 2 1 275.440 2.047 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000286878613 376090390 /nfs/dbraw/zinc/09/03/90/376090390.db2.gz CHUXRSWFQFWGKJ-VYDXJSESSA-N 2 1 275.440 2.047 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000287185261 376168167 /nfs/dbraw/zinc/16/81/67/376168167.db2.gz VMBVDXXUQJPPNY-YQQAZPJKSA-N 2 1 275.440 2.189 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000287185261 376168174 /nfs/dbraw/zinc/16/81/74/376168174.db2.gz VMBVDXXUQJPPNY-YQQAZPJKSA-N 2 1 275.440 2.189 20 0 CEADMP COc1cc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c(F)cn1 ZINC000287857692 376329073 /nfs/dbraw/zinc/32/90/73/376329073.db2.gz XDUNVCQQCLDILK-RYUDHWBXSA-N 2 1 293.386 2.364 20 0 CEADMP COc1ccncc1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000287934763 376343743 /nfs/dbraw/zinc/34/37/43/376343743.db2.gz XASGAAPLLOBZQS-GXTWGEPZSA-N 2 1 263.385 2.005 20 0 CEADMP CC[N@H+](CCc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289731906 376470310 /nfs/dbraw/zinc/47/03/10/376470310.db2.gz HPQVRWZXEDLTHM-KRWDZBQOSA-N 2 1 276.424 2.006 20 0 CEADMP CC[N@@H+](CCc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289731906 376470312 /nfs/dbraw/zinc/47/03/12/376470312.db2.gz HPQVRWZXEDLTHM-KRWDZBQOSA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+](CCc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289731906 376470315 /nfs/dbraw/zinc/47/03/15/376470315.db2.gz HPQVRWZXEDLTHM-KRWDZBQOSA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+](CCc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289731906 376470317 /nfs/dbraw/zinc/47/03/17/376470317.db2.gz HPQVRWZXEDLTHM-KRWDZBQOSA-N 2 1 276.424 2.006 20 0 CEADMP CC[N@H+](CCc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000289731911 376470438 /nfs/dbraw/zinc/47/04/38/376470438.db2.gz HPQVRWZXEDLTHM-QGZVFWFLSA-N 2 1 276.424 2.006 20 0 CEADMP CC[N@@H+](CCc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000289731911 376470443 /nfs/dbraw/zinc/47/04/43/376470443.db2.gz HPQVRWZXEDLTHM-QGZVFWFLSA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+](CCc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289731911 376470447 /nfs/dbraw/zinc/47/04/47/376470447.db2.gz HPQVRWZXEDLTHM-QGZVFWFLSA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+](CCc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289731911 376470450 /nfs/dbraw/zinc/47/04/50/376470450.db2.gz HPQVRWZXEDLTHM-QGZVFWFLSA-N 2 1 276.424 2.006 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000263815692 190080470 /nfs/dbraw/zinc/08/04/70/190080470.db2.gz VXYBOZKLXIHMMP-LBPRGKRZSA-N 2 1 273.384 2.490 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000263815692 190080471 /nfs/dbraw/zinc/08/04/71/190080471.db2.gz VXYBOZKLXIHMMP-LBPRGKRZSA-N 2 1 273.384 2.490 20 0 CEADMP C[C@H](CNC(=O)CCCC[NH+](C)C)[N@H+]1CCCC[C@@H]1C ZINC000556940501 376521365 /nfs/dbraw/zinc/52/13/65/376521365.db2.gz YPIJXPDLZNOLOS-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP Cc1[nH+]ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1Cl ZINC000684889163 542083319 /nfs/dbraw/zinc/08/33/19/542083319.db2.gz CPIKEXZZNZUHKW-OCCSQVGLSA-N 2 1 295.814 2.079 20 0 CEADMP CCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000307970553 376575567 /nfs/dbraw/zinc/57/55/67/376575567.db2.gz GRVXPEUMBSOPOK-CWRNSKLLSA-N 2 1 276.428 2.079 20 0 CEADMP CCOC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)C ZINC000310766822 376634351 /nfs/dbraw/zinc/63/43/51/376634351.db2.gz OAIZFQTXRCBQFY-HNNXBMFYSA-N 2 1 254.418 2.264 20 0 CEADMP Fc1ccc(OCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000312754186 376726382 /nfs/dbraw/zinc/72/63/82/376726382.db2.gz WOOQZZPTDBSRTF-KGLIPLIRSA-N 2 1 278.371 2.136 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@H](O)CN(C)C2CC2)c(C)s1 ZINC000311827995 376689381 /nfs/dbraw/zinc/68/93/81/376689381.db2.gz KVYUZGVABXJTRT-RISCZKNCSA-N 2 1 282.453 2.471 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000290249405 376705400 /nfs/dbraw/zinc/70/54/00/376705400.db2.gz JTXVBNMJPPGQFY-KQTLUZQSSA-N 2 1 274.408 2.481 20 0 CEADMP c1[nH]c2nccnc2c1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000290325745 376733826 /nfs/dbraw/zinc/73/38/26/376733826.db2.gz AITFJGGBBNIYFA-UHFFFAOYSA-N 2 1 285.395 2.064 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H]3C[C@@H](O)C3)C1)CCCC2 ZINC000420914676 376734994 /nfs/dbraw/zinc/73/49/94/376734994.db2.gz CRWTYJZRLWTJQE-KFWWJZLASA-N 2 1 289.423 2.088 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H]3C[C@@H](O)C3)C1)CCCC2 ZINC000420914676 376734999 /nfs/dbraw/zinc/73/49/99/376734999.db2.gz CRWTYJZRLWTJQE-KFWWJZLASA-N 2 1 289.423 2.088 20 0 CEADMP c1[nH]c2nccnc2c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000290503630 376808250 /nfs/dbraw/zinc/80/82/50/376808250.db2.gz SRSFVYXRDQTGKR-OAHLLOKOSA-N 2 1 299.422 2.408 20 0 CEADMP c1[nH]c2nccnc2c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000290503630 376808254 /nfs/dbraw/zinc/80/82/54/376808254.db2.gz SRSFVYXRDQTGKR-OAHLLOKOSA-N 2 1 299.422 2.408 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3c[nH]nc3c2)C1 ZINC000290600925 376849573 /nfs/dbraw/zinc/84/95/73/376849573.db2.gz VWPOQPKEYMGMNC-NVXWUHKLSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3c[nH]nc3c2)C1 ZINC000290600925 376849579 /nfs/dbraw/zinc/84/95/79/376849579.db2.gz VWPOQPKEYMGMNC-NVXWUHKLSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3c[nH]nc3c2)C1 ZINC000290600925 376849583 /nfs/dbraw/zinc/84/95/83/376849583.db2.gz VWPOQPKEYMGMNC-NVXWUHKLSA-N 2 1 284.407 2.479 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000562280611 376857350 /nfs/dbraw/zinc/85/73/50/376857350.db2.gz AKCSNTFFETVHQL-DVOMOZLQSA-N 2 1 286.423 2.392 20 0 CEADMP C[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)[C@@H]1CCC[NH2+]1 ZINC000422957409 376880935 /nfs/dbraw/zinc/88/09/35/376880935.db2.gz TYTDKEYNMBSQBY-NEPJUHHUSA-N 2 1 279.453 2.295 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000422960318 376884886 /nfs/dbraw/zinc/88/48/86/376884886.db2.gz VTZNDDYCAPOXOU-INIZCTEOSA-N 3 1 297.487 2.129 20 0 CEADMP C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000423078650 376972066 /nfs/dbraw/zinc/97/20/66/376972066.db2.gz OWPCSUUBCGXIQY-IMJJTQAJSA-N 2 1 268.445 2.438 20 0 CEADMP C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000423080006 376973596 /nfs/dbraw/zinc/97/35/96/376973596.db2.gz ZDHIHOXYOUZZIX-IEAZIUSSSA-N 2 1 292.398 2.022 20 0 CEADMP COc1cc([C@H](C)[NH2+]C2CC[NH2+]CC2)ccc1F ZINC000423020557 376936245 /nfs/dbraw/zinc/93/62/45/376936245.db2.gz BYZRYEXAYPBUSI-JTQLQIEISA-N 2 1 252.333 2.237 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000423022115 376939005 /nfs/dbraw/zinc/93/90/05/376939005.db2.gz HEDVJYZJOVJVBF-ZOBORPQBSA-N 2 1 254.418 2.168 20 0 CEADMP CC[C@H](NCC[N@@H+]1CC=C(C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423036044 376944251 /nfs/dbraw/zinc/94/42/51/376944251.db2.gz KPORRKJDPLPRMI-HOTGVXAUSA-N 2 1 265.445 2.149 20 0 CEADMP COCC1CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000562653602 376956532 /nfs/dbraw/zinc/95/65/32/376956532.db2.gz JZTLRBSWIGKVDW-SHARSMKWSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423075714 376969510 /nfs/dbraw/zinc/96/95/10/376969510.db2.gz XQTWLQUJCNKLDB-DGCLKSJQSA-N 2 1 284.350 2.418 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423075716 376969577 /nfs/dbraw/zinc/96/95/77/376969577.db2.gz XQTWLQUJCNKLDB-YPMHNXCESA-N 2 1 284.350 2.418 20 0 CEADMP C[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)[C@H]1CCC[NH2+]1 ZINC000423124732 377022645 /nfs/dbraw/zinc/02/26/45/377022645.db2.gz HDTWGFJJXURZOG-ZYHUDNBSSA-N 2 1 287.329 2.373 20 0 CEADMP CCOCC(C)(C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423124775 377022927 /nfs/dbraw/zinc/02/29/27/377022927.db2.gz PBUUJPFSCDYETQ-NSHDSACASA-N 2 1 251.374 2.207 20 0 CEADMP CN(C)c1cccnc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423131171 377029405 /nfs/dbraw/zinc/02/94/05/377029405.db2.gz ZLHRJUTYDDDODX-RRFJBIMHSA-N 2 1 288.439 2.158 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423143296 377042467 /nfs/dbraw/zinc/04/24/67/377042467.db2.gz WXHCHGAGZDKOAC-ILXRZTDVSA-N 2 1 255.450 2.356 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000562986582 377045957 /nfs/dbraw/zinc/04/59/57/377045957.db2.gz MVBYOCPSALGBRX-DOTOQJQBSA-N 2 1 294.414 2.051 20 0 CEADMP FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423096765 376991294 /nfs/dbraw/zinc/99/12/94/376991294.db2.gz PTKHRQLCAHXMJO-FQUUOJAGSA-N 2 1 288.382 2.169 20 0 CEADMP CC[C@H]([NH2+]CC1(C(F)(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000423100804 376993811 /nfs/dbraw/zinc/99/38/11/376993811.db2.gz BYIHJDCDTACGSB-UWVGGRQHSA-N 2 1 250.308 2.449 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000423205094 377121904 /nfs/dbraw/zinc/12/19/04/377121904.db2.gz VILQDFSTOIZUFR-HIFRSBDPSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000423205094 377121911 /nfs/dbraw/zinc/12/19/11/377121911.db2.gz VILQDFSTOIZUFR-HIFRSBDPSA-N 2 1 265.445 2.110 20 0 CEADMP C[NH2+]CCC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000563206732 377126311 /nfs/dbraw/zinc/12/63/11/377126311.db2.gz MLULVDLCHHQVCZ-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1C ZINC000423160966 377066908 /nfs/dbraw/zinc/06/69/08/377066908.db2.gz IFENIHNCPOSECS-GOEBONIOSA-N 2 1 299.418 2.365 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423164836 377069231 /nfs/dbraw/zinc/06/92/31/377069231.db2.gz AKVSXISRVHCCOS-QBPKDAKJSA-N 3 1 279.472 2.229 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423165442 377069861 /nfs/dbraw/zinc/06/98/61/377069861.db2.gz QATBGDYAHDFSPQ-UONOGXRCSA-N 2 1 253.434 2.110 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423171373 377079784 /nfs/dbraw/zinc/07/97/84/377079784.db2.gz ZYNMBFZPAJAAAX-ZDUSSCGKSA-N 3 1 290.455 2.374 20 0 CEADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H]([NH3+])C(C)C ZINC000423269417 377190167 /nfs/dbraw/zinc/19/01/67/377190167.db2.gz HCQXLQPALVENMO-UONOGXRCSA-N 2 1 266.360 2.395 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000423273117 377194175 /nfs/dbraw/zinc/19/41/75/377194175.db2.gz ZVTASOUBMVZHCE-UONOGXRCSA-N 2 1 287.411 2.291 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423255976 377176732 /nfs/dbraw/zinc/17/67/32/377176732.db2.gz BDOSTFXSTFRIDH-XYJFISCASA-N 2 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423255976 377176738 /nfs/dbraw/zinc/17/67/38/377176738.db2.gz BDOSTFXSTFRIDH-XYJFISCASA-N 3 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423255976 377176745 /nfs/dbraw/zinc/17/67/45/377176745.db2.gz BDOSTFXSTFRIDH-XYJFISCASA-N 3 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000423255976 377176749 /nfs/dbraw/zinc/17/67/49/377176749.db2.gz BDOSTFXSTFRIDH-XYJFISCASA-N 2 1 289.467 2.342 20 0 CEADMP COCCc1nc(C)c([C@H](C)[NH2+]CC(C)(C)[NH3+])s1 ZINC000423283933 377211411 /nfs/dbraw/zinc/21/14/11/377211411.db2.gz FZHWGBXYIMMMBU-VIFPVBQESA-N 2 1 271.430 2.028 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1COc2ccc(OC)cc2C1 ZINC000423296916 377224268 /nfs/dbraw/zinc/22/42/68/377224268.db2.gz HZJMEWJJYBTKLX-KGLIPLIRSA-N 2 1 278.396 2.106 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000423297438 377227520 /nfs/dbraw/zinc/22/75/20/377227520.db2.gz KGSFQIRFNZZAMI-UKRRQHHQSA-N 2 1 287.411 2.435 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2COc3cc(F)ccc3C2)[C@H](C)C1 ZINC000563443457 377227619 /nfs/dbraw/zinc/22/76/19/377227619.db2.gz GOQNVFCUCDQLJG-WQVCFCJDSA-N 2 1 292.398 2.449 20 0 CEADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC2C[NH2+]C2)c1 ZINC000423301624 377229314 /nfs/dbraw/zinc/22/93/14/377229314.db2.gz ICHPVLVDBDJVJZ-SNVBAGLBSA-N 2 1 270.323 2.466 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000423301149 377229640 /nfs/dbraw/zinc/22/96/40/377229640.db2.gz SOPOKEZURHTUBP-RDBSUJKOSA-N 2 1 254.418 2.441 20 0 CEADMP COc1cccc2cc([C@H](C)[NH2+]CC3C[NH2+]C3)oc21 ZINC000423302435 377232440 /nfs/dbraw/zinc/23/24/40/377232440.db2.gz JKRCHUKPDLDKEI-JTQLQIEISA-N 2 1 260.337 2.311 20 0 CEADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CCC2 ZINC000423307821 377237411 /nfs/dbraw/zinc/23/74/11/377237411.db2.gz WRPWOMJLGQGBMV-GFCCVEGCSA-N 2 1 285.313 2.287 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC[NH3+] ZINC000423320706 377250736 /nfs/dbraw/zinc/25/07/36/377250736.db2.gz DQZRMHSLQGZGHD-NVXWUHKLSA-N 3 1 275.440 2.226 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC[NH3+] ZINC000423320706 377250741 /nfs/dbraw/zinc/25/07/41/377250741.db2.gz DQZRMHSLQGZGHD-NVXWUHKLSA-N 3 1 275.440 2.226 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CCCCC1)C1CC1 ZINC000563881073 377311787 /nfs/dbraw/zinc/31/17/87/377311787.db2.gz DLALGBQTGSNARG-XIRDDKMYSA-N 2 1 280.456 2.248 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CCCCC1)C1CC1 ZINC000563881073 377311790 /nfs/dbraw/zinc/31/17/90/377311790.db2.gz DLALGBQTGSNARG-XIRDDKMYSA-N 2 1 280.456 2.248 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3ccccc3)C2)C1 ZINC000292996153 377385645 /nfs/dbraw/zinc/38/56/45/377385645.db2.gz OJJRVMBKRUNNBN-QGZVFWFLSA-N 2 1 274.408 2.483 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOc3ccccc3)C2)C1 ZINC000292996153 377385651 /nfs/dbraw/zinc/38/56/51/377385651.db2.gz OJJRVMBKRUNNBN-QGZVFWFLSA-N 2 1 274.408 2.483 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOc3ccccc3)C2)C1 ZINC000292996153 377385657 /nfs/dbraw/zinc/38/56/57/377385657.db2.gz OJJRVMBKRUNNBN-QGZVFWFLSA-N 2 1 274.408 2.483 20 0 CEADMP CC(C)[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000564401458 377387950 /nfs/dbraw/zinc/38/79/50/377387950.db2.gz IGHOHXHFVCNWSP-HNNXBMFYSA-N 2 1 256.434 2.056 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCC[C@H]3COCC[C@@H]31)C[NH2+]CC2 ZINC000564804047 377458706 /nfs/dbraw/zinc/45/87/06/377458706.db2.gz OORCWGVSPVVQPW-WMZOPIPTSA-N 2 1 286.419 2.333 20 0 CEADMP C[C@@H](CNC(=O)C1([NH3+])CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000430760160 377549662 /nfs/dbraw/zinc/54/96/62/377549662.db2.gz ILEAFFQZAKYUCU-KGLIPLIRSA-N 2 1 281.444 2.027 20 0 CEADMP C[C@H]1C[N@@H+](CCCOCCc2ccccc2)CC[C@@H]1[NH3+] ZINC000430921910 377565126 /nfs/dbraw/zinc/56/51/26/377565126.db2.gz VSGBNPKTDTXUNS-RDJZCZTQSA-N 2 1 276.424 2.305 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1 ZINC000265243642 190168480 /nfs/dbraw/zinc/16/84/80/190168480.db2.gz MCVWOIHGAFWHBN-UHFFFAOYSA-N 2 1 250.386 2.469 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1 ZINC000265243642 190168481 /nfs/dbraw/zinc/16/84/81/190168481.db2.gz MCVWOIHGAFWHBN-UHFFFAOYSA-N 2 1 250.386 2.469 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430969189 377581589 /nfs/dbraw/zinc/58/15/89/377581589.db2.gz YTHHQBVZUJKLBS-GJZGRUSLSA-N 2 1 262.397 2.433 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431098172 377600850 /nfs/dbraw/zinc/60/08/50/377600850.db2.gz FRWFUWQWWPCHNR-MNOVXSKESA-N 2 1 266.389 2.274 20 0 CEADMP C[C@H]1OCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000135302336 249317665 /nfs/dbraw/zinc/31/76/65/249317665.db2.gz ODVVXYZHNUMITG-CRAIPNDOSA-N 2 1 288.435 2.461 20 0 CEADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166710035 542211645 /nfs/dbraw/zinc/21/16/45/542211645.db2.gz FUTQKCCXWQRSFT-APHBMKBZSA-N 2 1 290.455 2.184 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(C3CC3)c2)CCCO1 ZINC000313346553 249393314 /nfs/dbraw/zinc/39/33/14/249393314.db2.gz RVPJLCYZGGMBAV-MRXNPFEDSA-N 2 1 260.381 2.114 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(C3CC3)c2)CCCO1 ZINC000313346553 249393317 /nfs/dbraw/zinc/39/33/17/249393317.db2.gz RVPJLCYZGGMBAV-MRXNPFEDSA-N 2 1 260.381 2.114 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000313304755 249393566 /nfs/dbraw/zinc/39/35/66/249393566.db2.gz RWGHBAICYLORQO-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431797394 377671350 /nfs/dbraw/zinc/67/13/50/377671350.db2.gz NSCSFBYWEBHMGS-OAHLLOKOSA-N 2 1 295.471 2.288 20 0 CEADMP OC1(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000565477026 377663654 /nfs/dbraw/zinc/66/36/54/377663654.db2.gz XAXDZSKSAHTUBO-MRXNPFEDSA-N 2 1 274.408 2.013 20 0 CEADMP Cc1ccc2ccnc(N3CC[N@H+]4CCOC[C@H]4C3)c2c1 ZINC000565772182 377696988 /nfs/dbraw/zinc/69/69/88/377696988.db2.gz SVJSRBZRUGUGST-OAHLLOKOSA-N 2 1 283.375 2.064 20 0 CEADMP CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000566063660 377715979 /nfs/dbraw/zinc/71/59/79/377715979.db2.gz GNZWBQODKVMIAX-HOTGVXAUSA-N 2 1 268.445 2.390 20 0 CEADMP CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000566063660 377715987 /nfs/dbraw/zinc/71/59/87/377715987.db2.gz GNZWBQODKVMIAX-HOTGVXAUSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)C[NH+](C)C ZINC000293716394 377720368 /nfs/dbraw/zinc/72/03/68/377720368.db2.gz PFOSLHNJQINIBK-QHRIQVFBSA-N 2 1 282.453 2.272 20 0 CEADMP C[C@@H](C[NH2+][C@H](c1cncc(F)c1)C1CC1)C[NH+](C)C ZINC000293730433 377726474 /nfs/dbraw/zinc/72/64/74/377726474.db2.gz QAVXVNRFVHRHOU-NHYWBVRUSA-N 2 1 265.376 2.459 20 0 CEADMP COC1(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CCCCC1 ZINC000432347422 377749193 /nfs/dbraw/zinc/74/91/93/377749193.db2.gz NGHQWJVLICJVBP-INIZCTEOSA-N 2 1 298.471 2.426 20 0 CEADMP CCC[N@@H+](CCC[NH2+]C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000435877906 377812010 /nfs/dbraw/zinc/81/20/10/377812010.db2.gz WDUOAWXTZSCVDV-BFHYXJOUSA-N 2 1 254.418 2.121 20 0 CEADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000293908182 377819333 /nfs/dbraw/zinc/81/93/33/377819333.db2.gz ZYBXOSKIVQZNME-STQMWFEESA-N 2 1 277.412 2.493 20 0 CEADMP C[C@H](C[NH2+]CC[C@H]1CCOC1)[N@@H+]1CCCC[C@H]1C ZINC000438087128 377880944 /nfs/dbraw/zinc/88/09/44/377880944.db2.gz JZFXEOFXVTUHQN-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](C[NH2+]CC[C@H]1CCOC1)[N@H+]1CCCC[C@H]1C ZINC000438087128 377880949 /nfs/dbraw/zinc/88/09/49/377880949.db2.gz JZFXEOFXVTUHQN-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+](CC[C@@H]1CCOC1)CC[C@@H]1CCCC[NH+]1C ZINC000438123093 377890143 /nfs/dbraw/zinc/89/01/43/377890143.db2.gz CHCNFCBCVWGZHG-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@@H]1CCOC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000438123093 377890150 /nfs/dbraw/zinc/89/01/50/377890150.db2.gz CHCNFCBCVWGZHG-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@@H]1CCOC1)CC[C@@H]1CCCC[N@H+]1C ZINC000438123093 377890155 /nfs/dbraw/zinc/89/01/55/377890155.db2.gz CHCNFCBCVWGZHG-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)[C@H]1CCOC1 ZINC000438124932 377890578 /nfs/dbraw/zinc/89/05/78/377890578.db2.gz HBJLPUWTYSGOAC-JKSUJKDBSA-N 2 1 266.429 2.221 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)C[NH3+])cc1 ZINC000441615987 377952487 /nfs/dbraw/zinc/95/24/87/377952487.db2.gz AOLQVPKFWLUUON-CQSZACIVSA-N 2 1 291.439 2.243 20 0 CEADMP C[C@@H]([NH3+])C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000442658409 377976659 /nfs/dbraw/zinc/97/66/59/377976659.db2.gz IUYPLMWRPBRBLP-CQSZACIVSA-N 2 1 262.397 2.262 20 0 CEADMP COCCCC[N@@H+](Cc1ccccc1)C[C@@H](C)[NH3+] ZINC000442666301 377978328 /nfs/dbraw/zinc/97/83/28/377978328.db2.gz QEZHLIFIVCIDQG-CQSZACIVSA-N 2 1 250.386 2.262 20 0 CEADMP COCCCC[N@H+](Cc1ccccc1)C[C@@H](C)[NH3+] ZINC000442666301 377978332 /nfs/dbraw/zinc/97/83/32/377978332.db2.gz QEZHLIFIVCIDQG-CQSZACIVSA-N 2 1 250.386 2.262 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1C ZINC000442917168 378017856 /nfs/dbraw/zinc/01/78/56/378017856.db2.gz CKUAUFKTSLIPMM-HNNXBMFYSA-N 2 1 278.444 2.471 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1C ZINC000442757598 377989927 /nfs/dbraw/zinc/98/99/27/377989927.db2.gz MOYSDDLLJPXDBV-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1C ZINC000442757598 377989930 /nfs/dbraw/zinc/98/99/30/377989930.db2.gz MOYSDDLLJPXDBV-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(C)c1 ZINC000442764484 377993711 /nfs/dbraw/zinc/99/37/11/377993711.db2.gz KUIGKFQODFAYON-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(C)c1 ZINC000442764484 377993716 /nfs/dbraw/zinc/99/37/16/377993716.db2.gz KUIGKFQODFAYON-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000442788432 377995431 /nfs/dbraw/zinc/99/54/31/377995431.db2.gz FKMJHZTVHKVRJN-ILXRZTDVSA-N 2 1 297.487 2.377 20 0 CEADMP CC(C)CCc1noc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000443061929 378031939 /nfs/dbraw/zinc/03/19/39/378031939.db2.gz SNCGEHBKXXBJCL-ZDUSSCGKSA-N 2 1 280.416 2.219 20 0 CEADMP CC(C)CCc1noc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000443061929 378031944 /nfs/dbraw/zinc/03/19/44/378031944.db2.gz SNCGEHBKXXBJCL-ZDUSSCGKSA-N 2 1 280.416 2.219 20 0 CEADMP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443073693 378035277 /nfs/dbraw/zinc/03/52/77/378035277.db2.gz PGIDDINTUAIPBT-RYUDHWBXSA-N 2 1 280.416 2.489 20 0 CEADMP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443073693 378035283 /nfs/dbraw/zinc/03/52/83/378035283.db2.gz PGIDDINTUAIPBT-RYUDHWBXSA-N 2 1 280.416 2.489 20 0 CEADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCC(C)(C)C2)CC[N@H+]1C ZINC000447566771 378116521 /nfs/dbraw/zinc/11/65/21/378116521.db2.gz WHWMTJDHIBHQHF-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H](NCC[N@@H+]2CCCC(C)(C)C2)CC[NH+]1C ZINC000447566771 378116522 /nfs/dbraw/zinc/11/65/22/378116522.db2.gz WHWMTJDHIBHQHF-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H](NCC[N@H+]2CCCC(C)(C)C2)CC[NH+]1C ZINC000447566771 378116526 /nfs/dbraw/zinc/11/65/26/378116526.db2.gz WHWMTJDHIBHQHF-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CCCC[NH+]1C1CC1 ZINC000447594545 378122408 /nfs/dbraw/zinc/12/24/08/378122408.db2.gz ZQZHKINFEMZEAF-SRABZTEZSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000447594545 378122414 /nfs/dbraw/zinc/12/24/14/378122414.db2.gz ZQZHKINFEMZEAF-SRABZTEZSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000447594545 378122419 /nfs/dbraw/zinc/12/24/19/378122419.db2.gz ZQZHKINFEMZEAF-SRABZTEZSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000447594545 378122424 /nfs/dbraw/zinc/12/24/24/378122424.db2.gz ZQZHKINFEMZEAF-SRABZTEZSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000447594545 378122429 /nfs/dbraw/zinc/12/24/29/378122429.db2.gz ZQZHKINFEMZEAF-SRABZTEZSA-N 2 1 279.472 2.322 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@@H](C)C1 ZINC000449367785 378206266 /nfs/dbraw/zinc/20/62/66/378206266.db2.gz YTVBFVMESXOJIE-VGWMRTNUSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@H](C[NH2+]Cc1cnc(C(C)(C)C)nc1)C[NH+](C)C ZINC000295847008 378327908 /nfs/dbraw/zinc/32/79/08/378327908.db2.gz ZZLNPSXAJCOZRD-GFCCVEGCSA-N 2 1 264.417 2.061 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000450428115 378411408 /nfs/dbraw/zinc/41/14/08/378411408.db2.gz GXMUCUKIRVJLHH-RYRKJORJSA-N 2 1 290.451 2.425 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000450428115 378411410 /nfs/dbraw/zinc/41/14/10/378411410.db2.gz GXMUCUKIRVJLHH-RYRKJORJSA-N 2 1 290.451 2.425 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000450428115 378411411 /nfs/dbraw/zinc/41/14/11/378411411.db2.gz GXMUCUKIRVJLHH-RYRKJORJSA-N 2 1 290.451 2.425 20 0 CEADMP FC1(F)CC(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000450429144 378411501 /nfs/dbraw/zinc/41/15/01/378411501.db2.gz KPNGRBKCWAJIHG-LBPRGKRZSA-N 2 1 258.356 2.449 20 0 CEADMP C[N@@H+](CCO)C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450370971 378380011 /nfs/dbraw/zinc/38/00/11/378380011.db2.gz CREQIQYSEZPXQG-CYBMUJFWSA-N 2 1 290.398 2.200 20 0 CEADMP c1cc2c(nc[nH+]c2NC2CC[NH+](C3CCC3)CC2)[nH]1 ZINC000295982864 378381618 /nfs/dbraw/zinc/38/16/18/378381618.db2.gz LHPQOEIYJDULIL-UHFFFAOYSA-N 2 1 271.368 2.387 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000450474703 378438188 /nfs/dbraw/zinc/43/81/88/378438188.db2.gz RPJQZQXPMLJREJ-RYRKJORJSA-N 2 1 290.451 2.425 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000450474703 378438193 /nfs/dbraw/zinc/43/81/93/378438193.db2.gz RPJQZQXPMLJREJ-RYRKJORJSA-N 2 1 290.451 2.425 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000450474703 378438202 /nfs/dbraw/zinc/43/82/02/378438202.db2.gz RPJQZQXPMLJREJ-RYRKJORJSA-N 2 1 290.451 2.425 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000450632573 378509515 /nfs/dbraw/zinc/50/95/15/378509515.db2.gz PZOBJFRQTFMUDF-OAGGEKHMSA-N 2 1 267.461 2.131 20 0 CEADMP CN(CC[N@@H+](C)CC1=CCCCC1)C1CC[NH+](C)CC1 ZINC000450631723 378510250 /nfs/dbraw/zinc/51/02/50/378510250.db2.gz ZZJJHDFHYJHAIM-UHFFFAOYSA-N 2 1 279.472 2.445 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@H]21 ZINC000228477064 295309241 /nfs/dbraw/zinc/30/92/41/295309241.db2.gz RWHONAIXACREEY-IJLUTSLNSA-N 2 1 280.334 2.015 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](O)c1ccc(F)cc1 ZINC000298447824 378730077 /nfs/dbraw/zinc/73/00/77/378730077.db2.gz NUISOFJEEXGLJZ-SJCJKPOMSA-N 2 1 292.398 2.464 20 0 CEADMP OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453074426 378795481 /nfs/dbraw/zinc/79/54/81/378795481.db2.gz GJJACNTXFCQHFC-ZACQAIPSSA-N 2 1 274.408 2.012 20 0 CEADMP Cc1ncsc1C[NH2+]CCCn1cc[nH+]c1C ZINC000266193705 190239581 /nfs/dbraw/zinc/23/95/81/190239581.db2.gz IZQCYRZWNQBLKT-UHFFFAOYSA-N 2 1 250.371 2.136 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2cnccn2)C1 ZINC000453103787 378804685 /nfs/dbraw/zinc/80/46/85/378804685.db2.gz DDPJLFPCJFUABW-LSDHHAIUSA-N 2 1 276.428 2.118 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)C[C@@H]12 ZINC000346821603 218024700 /nfs/dbraw/zinc/02/47/00/218024700.db2.gz IWRNZPHYFNWUCL-NWANDNLSSA-N 2 1 296.361 2.500 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2c1 ZINC000346821918 218025335 /nfs/dbraw/zinc/02/53/35/218025335.db2.gz DTJSTIQIJSSYCR-NUEKZKHPSA-N 2 1 284.407 2.202 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n2c1 ZINC000346821906 218025348 /nfs/dbraw/zinc/02/53/48/218025348.db2.gz DTJSTIQIJSSYCR-BPUTZDHNSA-N 2 1 284.407 2.202 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000346836174 218030511 /nfs/dbraw/zinc/03/05/11/218030511.db2.gz OUACMWSSDNBXAY-RYUDHWBXSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000346836174 218030514 /nfs/dbraw/zinc/03/05/14/218030514.db2.gz OUACMWSSDNBXAY-RYUDHWBXSA-N 2 1 288.420 2.374 20 0 CEADMP CC(C)([NH3+])CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000346853757 218038268 /nfs/dbraw/zinc/03/82/68/218038268.db2.gz MPIPCRYQKCZBJF-UHFFFAOYSA-N 2 1 267.461 2.312 20 0 CEADMP CCc1cnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000346858702 218040425 /nfs/dbraw/zinc/04/04/25/218040425.db2.gz YHXNLWIILVJGTE-WCFLWFBJSA-N 2 1 265.426 2.265 20 0 CEADMP CCc1cnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000346858702 218040426 /nfs/dbraw/zinc/04/04/26/218040426.db2.gz YHXNLWIILVJGTE-WCFLWFBJSA-N 2 1 265.426 2.265 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000453321381 378862084 /nfs/dbraw/zinc/86/20/84/378862084.db2.gz PVBLTYBPWNJDDQ-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000453324868 378862299 /nfs/dbraw/zinc/86/22/99/378862299.db2.gz LMXABBDBLJETBW-XHSDSOJGSA-N 2 1 259.397 2.352 20 0 CEADMP CC[N@@H+]1CC[C@@H](N(C)c2[nH+]cnc3[nH]ccc32)[C@H](C)C1 ZINC000266278971 190245413 /nfs/dbraw/zinc/24/54/13/190245413.db2.gz STBWHAQKMGSWMT-DGCLKSJQSA-N 2 1 273.384 2.124 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)c2[nH+]cnc3[nH]ccc32)[C@H](C)C1 ZINC000266278971 190245414 /nfs/dbraw/zinc/24/54/14/190245414.db2.gz STBWHAQKMGSWMT-DGCLKSJQSA-N 2 1 273.384 2.124 20 0 CEADMP Cc1ncc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)n1 ZINC000453358594 378872638 /nfs/dbraw/zinc/87/26/38/378872638.db2.gz PYHIBXQMCKAAQR-PRTUASRFSA-N 2 1 274.412 2.369 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)n1 ZINC000453358594 378872643 /nfs/dbraw/zinc/87/26/43/378872643.db2.gz PYHIBXQMCKAAQR-PRTUASRFSA-N 2 1 274.412 2.369 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000347009026 218090501 /nfs/dbraw/zinc/09/05/01/218090501.db2.gz FKXDPOBAJOKBRB-HOCLYGCPSA-N 2 1 288.439 2.241 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2NCC3)C1 ZINC000347008714 218091218 /nfs/dbraw/zinc/09/12/18/218091218.db2.gz RYTQNDLFSVRGIH-CQSZACIVSA-N 2 1 273.424 2.428 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2NCC3)C1 ZINC000347008714 218091221 /nfs/dbraw/zinc/09/12/21/218091221.db2.gz RYTQNDLFSVRGIH-CQSZACIVSA-N 2 1 273.424 2.428 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000347008714 218091223 /nfs/dbraw/zinc/09/12/23/218091223.db2.gz RYTQNDLFSVRGIH-CQSZACIVSA-N 2 1 273.424 2.428 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000347008714 218091225 /nfs/dbraw/zinc/09/12/25/218091225.db2.gz RYTQNDLFSVRGIH-CQSZACIVSA-N 2 1 273.424 2.428 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1c[nH]nc1-c1cccnc1)C1CC1 ZINC000453603380 378918266 /nfs/dbraw/zinc/91/82/66/378918266.db2.gz YCLIFHWKFCALCP-UHFFFAOYSA-N 2 1 299.422 2.436 20 0 CEADMP COC(=O)c1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)oc1C ZINC000453601765 378918646 /nfs/dbraw/zinc/91/86/46/378918646.db2.gz VQBBILAIVCKLDD-UHFFFAOYSA-N 2 1 294.395 2.339 20 0 CEADMP COCc1cnc(C[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000453605038 378920122 /nfs/dbraw/zinc/92/01/22/378920122.db2.gz ZQTWMQZFHMKHOG-UHFFFAOYSA-N 2 1 283.441 2.254 20 0 CEADMP CCS[C@H](C)c1noc(C[N@H+](C)CC2CC[NH2+]CC2)n1 ZINC000346998877 218087194 /nfs/dbraw/zinc/08/71/94/218087194.db2.gz YHGVSUWRSKDPCW-LLVKDONJSA-N 2 1 298.456 2.315 20 0 CEADMP CCS[C@H](C)c1noc(C[N@@H+](C)CC2CC[NH2+]CC2)n1 ZINC000346998877 218087197 /nfs/dbraw/zinc/08/71/97/218087197.db2.gz YHGVSUWRSKDPCW-LLVKDONJSA-N 2 1 298.456 2.315 20 0 CEADMP C[N@@H+](Cc1cccc2c1NCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347032819 218098029 /nfs/dbraw/zinc/09/80/29/218098029.db2.gz DYWPOULBYCISSY-XYPWUTKMSA-N 2 1 271.408 2.369 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347032848 218098873 /nfs/dbraw/zinc/09/88/73/218098873.db2.gz BJPHODZHJZZUEL-XYPWUTKMSA-N 2 1 287.407 2.360 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347032848 218098874 /nfs/dbraw/zinc/09/88/74/218098874.db2.gz BJPHODZHJZZUEL-XYPWUTKMSA-N 2 1 287.407 2.360 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000347036497 218101215 /nfs/dbraw/zinc/10/12/15/218101215.db2.gz GYSTZCUDPCBBSH-NEPJUHHUSA-N 2 1 280.368 2.016 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000347036497 218101218 /nfs/dbraw/zinc/10/12/18/218101218.db2.gz GYSTZCUDPCBBSH-NEPJUHHUSA-N 2 1 280.368 2.016 20 0 CEADMP CCOCc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000347059440 218108103 /nfs/dbraw/zinc/10/81/03/218108103.db2.gz WZRUITKHLHTSCJ-CJNGLKHVSA-N 2 1 292.423 2.401 20 0 CEADMP CCOCc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000347059440 218108105 /nfs/dbraw/zinc/10/81/05/218108105.db2.gz WZRUITKHLHTSCJ-CJNGLKHVSA-N 2 1 292.423 2.401 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)ccc1OC ZINC000347055891 218108287 /nfs/dbraw/zinc/10/82/87/218108287.db2.gz UTAPDTOLADDTHD-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@H](C[NH2+]C)C2)ccc1OC ZINC000347055891 218108290 /nfs/dbraw/zinc/10/82/90/218108290.db2.gz UTAPDTOLADDTHD-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP CCOCc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1OC ZINC000347088539 218116886 /nfs/dbraw/zinc/11/68/86/218116886.db2.gz FGVWALHZYQBBMB-CQSZACIVSA-N 2 1 278.396 2.012 20 0 CEADMP C[N@@H+](Cc1ccc2c[nH]nc2c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347089708 218118290 /nfs/dbraw/zinc/11/82/90/218118290.db2.gz FLRMODSZYCKMLS-YIONKMFJSA-N 2 1 270.380 2.278 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)c1C ZINC000347117600 218127537 /nfs/dbraw/zinc/12/75/37/218127537.db2.gz WOZJQQURCJAOPX-HNNXBMFYSA-N 2 1 278.444 2.341 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)c1C ZINC000347117600 218127539 /nfs/dbraw/zinc/12/75/39/218127539.db2.gz WOZJQQURCJAOPX-HNNXBMFYSA-N 2 1 278.444 2.341 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000347072848 218112880 /nfs/dbraw/zinc/11/28/80/218112880.db2.gz RNFNGGJAIGPZKJ-ZDUSSCGKSA-N 2 1 259.397 2.086 20 0 CEADMP CC(C)n1ncc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)cnc21 ZINC000347131394 218132385 /nfs/dbraw/zinc/13/23/85/218132385.db2.gz QXONAFKRNUUOAE-SWLSCSKDSA-N 2 1 287.411 2.181 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)cnc21 ZINC000347131394 218132386 /nfs/dbraw/zinc/13/23/86/218132386.db2.gz QXONAFKRNUUOAE-SWLSCSKDSA-N 2 1 287.411 2.181 20 0 CEADMP CCCOc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1OC ZINC000347180523 218146107 /nfs/dbraw/zinc/14/61/07/218146107.db2.gz USIVUZHXOXNTAW-CQSZACIVSA-N 2 1 278.396 2.265 20 0 CEADMP CCCOc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1OC ZINC000347180523 218146110 /nfs/dbraw/zinc/14/61/10/218146110.db2.gz USIVUZHXOXNTAW-CQSZACIVSA-N 2 1 278.396 2.265 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000299499834 379022145 /nfs/dbraw/zinc/02/21/45/379022145.db2.gz MDZUZMGJDGJLGP-UHFFFAOYSA-N 2 1 263.385 2.027 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccn1 ZINC000347263650 218173037 /nfs/dbraw/zinc/17/30/37/218173037.db2.gz GCIZKFIEUHVAMC-QGZVFWFLSA-N 2 1 273.424 2.432 20 0 CEADMP COC1CC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000347421872 218228301 /nfs/dbraw/zinc/22/83/01/218228301.db2.gz PLGFNDGPWKUXQC-NFOMZHRRSA-N 2 1 252.402 2.018 20 0 CEADMP COC1CC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000347421872 218228303 /nfs/dbraw/zinc/22/83/03/218228303.db2.gz PLGFNDGPWKUXQC-NFOMZHRRSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]c(C(=O)OC)c1 ZINC000289455261 197355672 /nfs/dbraw/zinc/35/56/72/197355672.db2.gz NQJCQMFLNIPCEA-UHFFFAOYSA-N 2 1 293.411 2.109 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]c(C(=O)OC)c1 ZINC000289455261 197355674 /nfs/dbraw/zinc/35/56/74/197355674.db2.gz NQJCQMFLNIPCEA-UHFFFAOYSA-N 2 1 293.411 2.109 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000514788820 379147907 /nfs/dbraw/zinc/14/79/07/379147907.db2.gz NFXYQQQKTHCHBP-NRSFXHEJSA-N 2 1 288.435 2.367 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000514788820 379147920 /nfs/dbraw/zinc/14/79/20/379147920.db2.gz NFXYQQQKTHCHBP-NRSFXHEJSA-N 2 1 288.435 2.367 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(C)(C)CC ZINC000515068991 379184359 /nfs/dbraw/zinc/18/43/59/379184359.db2.gz QMYNJAQAHAESND-ZIAGYGMSSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)CC ZINC000515068991 379184366 /nfs/dbraw/zinc/18/43/66/379184366.db2.gz QMYNJAQAHAESND-ZIAGYGMSSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)CC ZINC000515068991 379184368 /nfs/dbraw/zinc/18/43/68/379184368.db2.gz QMYNJAQAHAESND-ZIAGYGMSSA-N 2 1 256.434 2.200 20 0 CEADMP CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCOCC1 ZINC000300413399 379169910 /nfs/dbraw/zinc/16/99/10/379169910.db2.gz BOXOFHNINDMJGC-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)OCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300417595 379171434 /nfs/dbraw/zinc/17/14/34/379171434.db2.gz IDTRKNSRWIUOGU-GJZGRUSLSA-N 2 1 254.418 2.408 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2ccncc2)C1 ZINC000266600816 190269875 /nfs/dbraw/zinc/26/98/75/190269875.db2.gz QIBXIERYCYIAQX-MRXNPFEDSA-N 2 1 261.413 2.288 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2ccncc2)C1 ZINC000266600816 190269876 /nfs/dbraw/zinc/26/98/76/190269876.db2.gz QIBXIERYCYIAQX-MRXNPFEDSA-N 2 1 261.413 2.288 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NCc1nccn1CC ZINC000517264943 379353544 /nfs/dbraw/zinc/35/35/44/379353544.db2.gz DOSILILYOLFDDZ-CYBMUJFWSA-N 2 1 252.406 2.113 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000519424807 379419176 /nfs/dbraw/zinc/41/91/76/379419176.db2.gz AQXVZEPCHSOEQU-BZUAXINKSA-N 3 1 267.461 2.358 20 0 CEADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000456392929 379422651 /nfs/dbraw/zinc/42/26/51/379422651.db2.gz XLOPXBNHYOHKLE-KGLIPLIRSA-N 2 1 283.460 2.096 20 0 CEADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000456392929 379422659 /nfs/dbraw/zinc/42/26/59/379422659.db2.gz XLOPXBNHYOHKLE-KGLIPLIRSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000303105587 379487201 /nfs/dbraw/zinc/48/72/01/379487201.db2.gz CSQHFMCTYFXCLC-DOTOQJQBSA-N 2 1 276.424 2.430 20 0 CEADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C[N@@H+](C)C(C)C ZINC000523324051 379587546 /nfs/dbraw/zinc/58/75/46/379587546.db2.gz WXXGPGXZVAZJIE-UHFFFAOYSA-N 2 1 293.411 2.036 20 0 CEADMP OC[C@@H]1CCCN1C[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC000304864723 379599214 /nfs/dbraw/zinc/59/92/14/379599214.db2.gz CHTFDKUTBHATSD-SJORKVTESA-N 2 1 280.456 2.488 20 0 CEADMP OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1CCC1CCCC1 ZINC000304864723 379599220 /nfs/dbraw/zinc/59/92/20/379599220.db2.gz CHTFDKUTBHATSD-SJORKVTESA-N 2 1 280.456 2.488 20 0 CEADMP OC[C@@H]1CCC[N@H+]1C[C@H]1CCCN1CCC1CCCC1 ZINC000304864723 379599225 /nfs/dbraw/zinc/59/92/25/379599225.db2.gz CHTFDKUTBHATSD-SJORKVTESA-N 2 1 280.456 2.488 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C[C@@H](C)O)C(C)C ZINC000305677850 379727193 /nfs/dbraw/zinc/72/71/93/379727193.db2.gz MIVWABSEHCUNHK-CYBMUJFWSA-N 2 1 253.390 2.063 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C[C@@H](C)O)C(C)C ZINC000305677850 379727199 /nfs/dbraw/zinc/72/71/99/379727199.db2.gz MIVWABSEHCUNHK-CYBMUJFWSA-N 2 1 253.390 2.063 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2cncn2C)CC1 ZINC000347744088 218342663 /nfs/dbraw/zinc/34/26/63/218342663.db2.gz AYCQCYDCIYKKTP-UHFFFAOYSA-N 2 1 292.471 2.407 20 0 CEADMP O=C1CCC(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000347753831 218346685 /nfs/dbraw/zinc/34/66/85/218346685.db2.gz VJZPFGFSALKNMF-OAHLLOKOSA-N 2 1 264.413 2.163 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3cn(C)nc3c2)[C@H](C)C1 ZINC000527963781 379860071 /nfs/dbraw/zinc/86/00/71/379860071.db2.gz PBRPRGPARRKMEL-CZUORRHYSA-N 2 1 286.423 2.393 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000528435192 379969235 /nfs/dbraw/zinc/96/92/35/379969235.db2.gz ZNKMBWVKTGQOHQ-NVXWUHKLSA-N 2 1 293.499 2.380 20 0 CEADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000528382190 379955044 /nfs/dbraw/zinc/95/50/44/379955044.db2.gz PBMRMZKTJDJCCF-RDJZCZTQSA-N 2 1 294.414 2.267 20 0 CEADMP C[C@@H]1C[C@H](C)[NH+](CCOCC[N@H+]2C[C@H](C)C[C@@H]2C)C1 ZINC000489289046 380172903 /nfs/dbraw/zinc/17/29/03/380172903.db2.gz JMVIUYIBAWBCDH-WCVJEAGWSA-N 2 1 268.445 2.464 20 0 CEADMP CC(C)[C@@H]1CN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC[N@H+]1C ZINC000489383413 380183180 /nfs/dbraw/zinc/18/31/80/380183180.db2.gz AKUILPPMRKBRTL-FZKCQIBNSA-N 2 1 295.471 2.046 20 0 CEADMP CC(C)[C@@H]1CN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC[NH+]1C ZINC000489383413 380183186 /nfs/dbraw/zinc/18/31/86/380183186.db2.gz AKUILPPMRKBRTL-FZKCQIBNSA-N 2 1 295.471 2.046 20 0 CEADMP CC(C)[C@@H]1CN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC[NH+]1C ZINC000489383413 380183188 /nfs/dbraw/zinc/18/31/88/380183188.db2.gz AKUILPPMRKBRTL-FZKCQIBNSA-N 2 1 295.471 2.046 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492436436 380553055 /nfs/dbraw/zinc/55/30/55/380553055.db2.gz OFBBXIKYAXYFFH-ZDUSSCGKSA-N 2 1 299.459 2.316 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492436436 380553058 /nfs/dbraw/zinc/55/30/58/380553058.db2.gz OFBBXIKYAXYFFH-ZDUSSCGKSA-N 2 1 299.459 2.316 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3cncs3)CC[C@H]21 ZINC000334562761 380600461 /nfs/dbraw/zinc/60/04/61/380600461.db2.gz ZOCLHCREXUKSPM-TZMCWYRMSA-N 2 1 265.426 2.102 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3cncs3)CC[C@H]21 ZINC000334562761 380600465 /nfs/dbraw/zinc/60/04/65/380600465.db2.gz ZOCLHCREXUKSPM-TZMCWYRMSA-N 2 1 265.426 2.102 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cncs3)CC[C@H]21 ZINC000334562761 380600467 /nfs/dbraw/zinc/60/04/67/380600467.db2.gz ZOCLHCREXUKSPM-TZMCWYRMSA-N 2 1 265.426 2.102 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCCC[NH+](C)C ZINC000552115489 380684335 /nfs/dbraw/zinc/68/43/35/380684335.db2.gz CJGBFWXIPBTQHR-MRXNPFEDSA-N 2 1 297.487 2.489 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000554071750 380756572 /nfs/dbraw/zinc/75/65/72/380756572.db2.gz ODEURDZKACOETP-CABCVRRESA-N 2 1 299.422 2.260 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000492874761 380716003 /nfs/dbraw/zinc/71/60/03/380716003.db2.gz QFEOOZSOGYTLAH-RBSFLKMASA-N 2 1 254.418 2.002 20 0 CEADMP CCOc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)n1 ZINC000554888285 380798966 /nfs/dbraw/zinc/79/89/66/380798966.db2.gz BHEDVWPZGYXKDS-GDBMZVCRSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)n1 ZINC000554888285 380798974 /nfs/dbraw/zinc/79/89/74/380798974.db2.gz BHEDVWPZGYXKDS-GDBMZVCRSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000554888285 380798978 /nfs/dbraw/zinc/79/89/78/380798978.db2.gz BHEDVWPZGYXKDS-GDBMZVCRSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000554888285 380798985 /nfs/dbraw/zinc/79/89/85/380798985.db2.gz BHEDVWPZGYXKDS-GDBMZVCRSA-N 2 1 289.423 2.396 20 0 CEADMP Cc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Br ZINC000334833601 207157859 /nfs/dbraw/zinc/15/78/59/207157859.db2.gz RCOLAVILEZTDEU-PJXYFTJBSA-N 2 1 281.197 2.065 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000334859263 207200783 /nfs/dbraw/zinc/20/07/83/207200783.db2.gz XVYSIUCEEXVNBI-DOMZBBRYSA-N 2 1 274.408 2.488 20 0 CEADMP CCN(CCC[NH+]1CCCC1)c1cc(C)[nH+]c(C)n1 ZINC000190975259 542339165 /nfs/dbraw/zinc/33/91/65/542339165.db2.gz WOVRDMWROZLKPE-UHFFFAOYSA-N 2 1 262.401 2.406 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](CC(C)C)C2)CC1 ZINC000347342893 285013490 /nfs/dbraw/zinc/01/34/90/285013490.db2.gz PQBRFROPNOOLHR-IAGOWNOFSA-N 2 1 298.471 2.281 20 0 CEADMP CO[C@@](C)([C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000411967871 533005053 /nfs/dbraw/zinc/00/50/53/533005053.db2.gz IWBBKXVGXJQCRO-SNPRPXQTSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289304094 197290592 /nfs/dbraw/zinc/29/05/92/197290592.db2.gz BWGFBECOYCETSF-GRDNDAEWSA-N 2 1 276.424 2.223 20 0 CEADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289304094 197290594 /nfs/dbraw/zinc/29/05/94/197290594.db2.gz BWGFBECOYCETSF-GRDNDAEWSA-N 2 1 276.424 2.223 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000289211384 197263758 /nfs/dbraw/zinc/26/37/58/197263758.db2.gz IPOMRIGDXZLZPQ-QWRGUYRKSA-N 2 1 294.424 2.127 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)CCc1ccccc1 ZINC000281222083 195156189 /nfs/dbraw/zinc/15/61/89/195156189.db2.gz DUAAWPJTTNJDHG-GOSISDBHSA-N 2 1 290.451 2.398 20 0 CEADMP C[N@H+]1CCN(CC[NH+]2CCCCC2)C2(CCCCC2)C1 ZINC000081598736 177828980 /nfs/dbraw/zinc/82/89/80/177828980.db2.gz PPNPBYURXSRNJR-UHFFFAOYSA-N 2 1 279.472 2.423 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCCCCC[NH3+])[C@@H](C)C1 ZINC000236846435 285365839 /nfs/dbraw/zinc/36/58/39/285365839.db2.gz ABEQRXYVKPDEQR-LSDHHAIUSA-N 2 1 283.460 2.084 20 0 CEADMP C[C@@H]([NH2+]CCCCO)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518853 533377291 /nfs/dbraw/zinc/37/72/91/533377291.db2.gz QLEGKTHNDKJEPQ-ZIAGYGMSSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2OCCCO3)CC[NH2+]1 ZINC000414947428 533653632 /nfs/dbraw/zinc/65/36/32/533653632.db2.gz KVADUEWCLCCCPU-OCCSQVGLSA-N 2 1 276.380 2.078 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000303978639 394480959 /nfs/dbraw/zinc/48/09/59/394480959.db2.gz DKEWOTURWZHVAB-OAHLLOKOSA-N 2 1 268.445 2.201 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000421372528 394515198 /nfs/dbraw/zinc/51/51/98/394515198.db2.gz DGARSMSJNZXZFV-UONOGXRCSA-N 2 1 263.385 2.195 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000245710334 394504165 /nfs/dbraw/zinc/50/41/65/394504165.db2.gz ZFCNMUZMEWFBDB-IRXDYDNUSA-N 2 1 279.472 2.421 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(CO)c1 ZINC000305624803 394507468 /nfs/dbraw/zinc/50/74/68/394507468.db2.gz BHGCSUXDXXMBQA-HIFRSBDPSA-N 2 1 262.397 2.171 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1nccs1 ZINC000305759742 394511799 /nfs/dbraw/zinc/51/17/99/394511799.db2.gz IVWHYSJCVAERSY-STQMWFEESA-N 2 1 283.441 2.031 20 0 CEADMP CCC(CC)(CO)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250781386 394565038 /nfs/dbraw/zinc/56/50/38/394565038.db2.gz SMQHLDPKQZRDAS-KBPBESRZSA-N 2 1 254.418 2.002 20 0 CEADMP Cn1c2cc(F)ccc2[nH+]c1NCCCC[N@H+](C)C1CC1 ZINC000413351462 394533125 /nfs/dbraw/zinc/53/31/25/394533125.db2.gz ZTHOFZJWMJYUTL-UHFFFAOYSA-N 2 1 290.386 2.421 20 0 CEADMP Cn1c2cc(F)ccc2[nH+]c1NCCCC[N@@H+](C)C1CC1 ZINC000413351462 394533128 /nfs/dbraw/zinc/53/31/28/394533128.db2.gz ZTHOFZJWMJYUTL-UHFFFAOYSA-N 2 1 290.386 2.421 20 0 CEADMP CC[C@@]1(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000248690492 394545716 /nfs/dbraw/zinc/54/57/16/394545716.db2.gz ASMSNXFPLFFDHY-PBHICJAKSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2c[nH]c3nccnc23)C[C@@H]1C ZINC000356144424 394547684 /nfs/dbraw/zinc/54/76/84/394547684.db2.gz ZGZAZURTIXEDKF-JSGCOSHPSA-N 2 1 287.411 2.214 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]c3nccnc23)C[C@@H]1C ZINC000356144424 394547685 /nfs/dbraw/zinc/54/76/85/394547685.db2.gz ZGZAZURTIXEDKF-JSGCOSHPSA-N 2 1 287.411 2.214 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]c3nccnc23)C[C@@H]1C ZINC000356144424 394547687 /nfs/dbraw/zinc/54/76/87/394547687.db2.gz ZGZAZURTIXEDKF-JSGCOSHPSA-N 2 1 287.411 2.214 20 0 CEADMP CSC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000090113569 394655137 /nfs/dbraw/zinc/65/51/37/394655137.db2.gz OLBOZYQFFNPIER-HZSPNIEDSA-N 2 1 286.485 2.217 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000090542759 394655146 /nfs/dbraw/zinc/65/51/46/394655146.db2.gz GEBRWVNBWPAXJM-YIDVYQOGSA-N 2 1 298.496 2.359 20 0 CEADMP C([NH2+][C@H]1CCC[C@H](C2CC2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666367 394658387 /nfs/dbraw/zinc/65/83/87/394658387.db2.gz ZCQPLCURTOBLMC-MWDXBVQZSA-N 2 1 278.440 2.408 20 0 CEADMP C([NH2+][C@H]1CCC[C@H](C2CC2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666367 394658389 /nfs/dbraw/zinc/65/83/89/394658389.db2.gz ZCQPLCURTOBLMC-MWDXBVQZSA-N 2 1 278.440 2.408 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000092561082 394660885 /nfs/dbraw/zinc/66/08/85/394660885.db2.gz LGHVWFFSACTZFK-HUUCEWRRSA-N 2 1 256.434 2.371 20 0 CEADMP COC1([C@H](C)[NH2+]C2CC[NH+](C)CC2)CCCCC1 ZINC000421819213 394604569 /nfs/dbraw/zinc/60/45/69/394604569.db2.gz FUGKQFWWVOJUST-ZDUSSCGKSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000262681576 394623516 /nfs/dbraw/zinc/62/35/16/394623516.db2.gz XVQHITPKDJMNED-HNNXBMFYSA-N 2 1 283.460 2.086 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH2+]C(C)(C)CC)C[C@H]1C ZINC000356849684 394631273 /nfs/dbraw/zinc/63/12/73/394631273.db2.gz VIENXVGPIHBCKE-ILXRZTDVSA-N 2 1 297.487 2.484 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCCOC1 ZINC000356898539 394646371 /nfs/dbraw/zinc/64/63/71/394646371.db2.gz NEEWZBPONJPRPR-FVPDABNVSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCCOC1 ZINC000356898539 394646374 /nfs/dbraw/zinc/64/63/74/394646374.db2.gz NEEWZBPONJPRPR-FVPDABNVSA-N 2 1 266.429 2.406 20 0 CEADMP COc1cc(C)c(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1 ZINC000359006479 394736560 /nfs/dbraw/zinc/73/65/60/394736560.db2.gz WEEDWGJZIFTLAG-OCCSQVGLSA-N 2 1 277.412 2.279 20 0 CEADMP COc1cc(C)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)n1 ZINC000359006479 394736561 /nfs/dbraw/zinc/73/65/61/394736561.db2.gz WEEDWGJZIFTLAG-OCCSQVGLSA-N 2 1 277.412 2.279 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000422718646 394738435 /nfs/dbraw/zinc/73/84/35/394738435.db2.gz XDYBVGCFUHSNCX-WBVHZDCISA-N 2 1 276.424 2.223 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H](C)O1 ZINC000414279591 394740880 /nfs/dbraw/zinc/74/08/80/394740880.db2.gz JQTJIBRWPCAOEJ-XLWJZTARSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]([NH2+]CC1CCSCC1)c1c[nH+]ccc1N ZINC000422726492 394742478 /nfs/dbraw/zinc/74/24/78/394742478.db2.gz DZWYPTCQTWPFLM-SNVBAGLBSA-N 2 1 251.399 2.288 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422738461 394749393 /nfs/dbraw/zinc/74/93/93/394749393.db2.gz YVLIHFMSXAAFTH-BZUAXINKSA-N 2 1 267.461 2.371 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422738469 394749677 /nfs/dbraw/zinc/74/96/77/394749677.db2.gz YVLIHFMSXAAFTH-XHSDSOJGSA-N 2 1 267.461 2.371 20 0 CEADMP COCc1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000357039820 394690172 /nfs/dbraw/zinc/69/01/72/394690172.db2.gz AVSRKDHFWURXIW-CYBMUJFWSA-N 2 1 295.452 2.111 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422737940 394749515 /nfs/dbraw/zinc/74/95/15/394749515.db2.gz YABPDBHAIWAJKW-ARFHVFGLSA-N 2 1 267.461 2.358 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000414070430 394693468 /nfs/dbraw/zinc/69/34/68/394693468.db2.gz JWNHCUQXPULBAG-ZIAGYGMSSA-N 2 1 279.428 2.341 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000414070430 394693472 /nfs/dbraw/zinc/69/34/72/394693472.db2.gz JWNHCUQXPULBAG-ZIAGYGMSSA-N 2 1 279.428 2.341 20 0 CEADMP CC[C@@H]1CCCCN1CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422737940 394749517 /nfs/dbraw/zinc/74/95/17/394749517.db2.gz YABPDBHAIWAJKW-ARFHVFGLSA-N 2 1 267.461 2.358 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000268786118 394699434 /nfs/dbraw/zinc/69/94/34/394699434.db2.gz ZWUSEVJODCXHNF-BHTHQVBYSA-N 2 1 280.387 2.177 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@H]1C)CC2 ZINC000357641754 394702041 /nfs/dbraw/zinc/70/20/41/394702041.db2.gz ISUWQECYCWYDBR-BMFZPTHFSA-N 2 1 290.455 2.251 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)CC2 ZINC000357641754 394702047 /nfs/dbraw/zinc/70/20/47/394702047.db2.gz ISUWQECYCWYDBR-BMFZPTHFSA-N 2 1 290.455 2.251 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422734138 394746649 /nfs/dbraw/zinc/74/66/49/394746649.db2.gz RZQPQBVNAOKXLP-QLFBSQMISA-N 2 1 255.450 2.227 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(F)c1F ZINC000358137443 394710139 /nfs/dbraw/zinc/71/01/39/394710139.db2.gz GVZCAAKVDFFBBM-BXUZGUMPSA-N 2 1 268.351 2.437 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1C[C@@H]1C ZINC000414127665 394710342 /nfs/dbraw/zinc/71/03/42/394710342.db2.gz SIUPUADPAULUBD-JJXSEGSLSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@H]1CCc2nc(C[NH2+]C(C)(C)CC[NH3+])sc2C1 ZINC000422562709 394711306 /nfs/dbraw/zinc/71/13/06/394711306.db2.gz QTBPJRNBHJYKEV-JTQLQIEISA-N 2 1 267.442 2.485 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000414139242 394714466 /nfs/dbraw/zinc/71/44/66/394714466.db2.gz IBXWXBYBNFVOEW-ZVDSWSACSA-N 2 1 266.429 2.405 20 0 CEADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358264174 394714800 /nfs/dbraw/zinc/71/48/00/394714800.db2.gz YOLBQEBBKGLBGP-KKUMJFAQSA-N 2 1 256.434 2.103 20 0 CEADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358264174 394714801 /nfs/dbraw/zinc/71/48/01/394714801.db2.gz YOLBQEBBKGLBGP-KKUMJFAQSA-N 2 1 256.434 2.103 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(C)c1 ZINC000358263368 394715111 /nfs/dbraw/zinc/71/51/11/394715111.db2.gz XRFQLQNNGXMZSW-HOCLYGCPSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(C)c1 ZINC000358263368 394715117 /nfs/dbraw/zinc/71/51/17/394715117.db2.gz XRFQLQNNGXMZSW-HOCLYGCPSA-N 2 1 262.397 2.021 20 0 CEADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000334864464 394716344 /nfs/dbraw/zinc/71/63/44/394716344.db2.gz PRORTAGRYYRIJD-AQFXKWCLSA-N 3 1 279.472 2.371 20 0 CEADMP CC1CC[NH+](C2CCC(N[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000334864464 394716346 /nfs/dbraw/zinc/71/63/46/394716346.db2.gz PRORTAGRYYRIJD-AQFXKWCLSA-N 2 1 279.472 2.371 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000414160761 394719694 /nfs/dbraw/zinc/71/96/94/394719694.db2.gz ZZKZVXPXKCJNIZ-UONOGXRCSA-N 2 1 279.428 2.341 20 0 CEADMP C[C@H]([NH2+]CCc1c(F)cccc1F)[C@@H]1CCC[NH2+]1 ZINC000422696802 394724406 /nfs/dbraw/zinc/72/44/06/394724406.db2.gz SLNHWVGRDLDHLP-HZMBPMFUSA-N 2 1 254.324 2.237 20 0 CEADMP CC[NH2+]CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000414822743 394753265 /nfs/dbraw/zinc/75/32/65/394753265.db2.gz GVGIWGWWTQWRAM-FGTMMUONSA-N 2 1 287.451 2.096 20 0 CEADMP C[C@@H](NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422743282 394754844 /nfs/dbraw/zinc/75/48/44/394754844.db2.gz RGRZVNXDCZSHFR-NXHRZFHOSA-N 2 1 287.451 2.381 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422746404 394755481 /nfs/dbraw/zinc/75/54/81/394755481.db2.gz WJIKOVHZIQRYEK-PMPSAXMXSA-N 3 1 267.461 2.214 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](CN[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422746404 394755482 /nfs/dbraw/zinc/75/54/82/394755482.db2.gz WJIKOVHZIQRYEK-PMPSAXMXSA-N 2 1 267.461 2.214 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422746404 394755483 /nfs/dbraw/zinc/75/54/83/394755483.db2.gz WJIKOVHZIQRYEK-PMPSAXMXSA-N 2 1 267.461 2.214 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCc3ccccc32)[C@H](C)C1 ZINC000271425963 394757244 /nfs/dbraw/zinc/75/72/44/394757244.db2.gz AEGOYMLHGFLZKV-JLSDUUJJSA-N 2 1 288.435 2.140 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000414830378 394758079 /nfs/dbraw/zinc/75/80/79/394758079.db2.gz CCCAQFMRMCPMLV-LBPRGKRZSA-N 2 1 292.814 2.471 20 0 CEADMP C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422751506 394758401 /nfs/dbraw/zinc/75/84/01/394758401.db2.gz CUOSERRVWZBJMC-KBAYOESNSA-N 2 1 287.451 2.381 20 0 CEADMP c1cn2c(C[NH2+]C[C@@H]3CCC[NH2+]C3)c(C3CC3)nc2s1 ZINC000414830592 394758808 /nfs/dbraw/zinc/75/88/08/394758808.db2.gz PADKBIQYVWVMLV-LLVKDONJSA-N 2 1 290.436 2.362 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc3c(c2)OCCO3)CCCCC1 ZINC000414833322 394760068 /nfs/dbraw/zinc/76/00/68/394760068.db2.gz AEIHXPCBWDTIEW-UHFFFAOYSA-N 2 1 276.380 2.209 20 0 CEADMP COc1cc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc(OC)c1 ZINC000414832109 394760288 /nfs/dbraw/zinc/76/02/88/394760288.db2.gz DHDZPVAZWNSTIV-CYBMUJFWSA-N 2 1 266.385 2.167 20 0 CEADMP COc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1O ZINC000414836269 394762612 /nfs/dbraw/zinc/76/26/12/394762612.db2.gz FPWBXQYDPALQHU-UHFFFAOYSA-N 2 1 264.369 2.152 20 0 CEADMP COc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1OC ZINC000414842923 394765981 /nfs/dbraw/zinc/76/59/81/394765981.db2.gz NLNBEVXJVZDRBK-UHFFFAOYSA-N 2 1 278.396 2.455 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000272033113 394766782 /nfs/dbraw/zinc/76/67/82/394766782.db2.gz WUZJYCFPYMZDCQ-BMGDILEWSA-N 2 1 288.435 2.308 20 0 CEADMP COCC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CCC1 ZINC000361319010 394823308 /nfs/dbraw/zinc/82/33/08/394823308.db2.gz SQJLMEKPDPVGCD-CABCVRRESA-N 2 1 266.429 2.219 20 0 CEADMP COCC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCC1 ZINC000361319010 394823309 /nfs/dbraw/zinc/82/33/09/394823309.db2.gz SQJLMEKPDPVGCD-CABCVRRESA-N 2 1 266.429 2.219 20 0 CEADMP COCC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCC1 ZINC000361319010 394823311 /nfs/dbraw/zinc/82/33/11/394823311.db2.gz SQJLMEKPDPVGCD-CABCVRRESA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000414855843 394772962 /nfs/dbraw/zinc/77/29/62/394772962.db2.gz XLXKSNXHNCJEKW-CABCVRRESA-N 2 1 283.460 2.131 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422773778 394774269 /nfs/dbraw/zinc/77/42/69/394774269.db2.gz ZEVPVHIDLOOONW-RYUDHWBXSA-N 2 1 256.296 2.257 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000414860142 394774966 /nfs/dbraw/zinc/77/49/66/394774966.db2.gz OIDLYJZVQLYYKT-UHFFFAOYSA-N 2 1 284.787 2.200 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000422776947 394776265 /nfs/dbraw/zinc/77/62/65/394776265.db2.gz BHQRXAGQPVSJLD-MGPQQGTHSA-N 2 1 268.788 2.497 20 0 CEADMP Fc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000422778266 394777494 /nfs/dbraw/zinc/77/74/94/394777494.db2.gz HCPSOKOSLVCSNE-VNQPRFMTSA-N 2 1 296.361 2.212 20 0 CEADMP Cc1ccc([C@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000422778366 394777640 /nfs/dbraw/zinc/77/76/40/394777640.db2.gz HIJQTBIFPAUPQB-DZKIICNBSA-N 2 1 263.429 2.313 20 0 CEADMP c1cc(C[NH2+]CCC[NH2+]Cc2cccnc2)cs1 ZINC000414868379 394778905 /nfs/dbraw/zinc/77/89/05/394778905.db2.gz AILIRGGJCSQARD-UHFFFAOYSA-N 2 1 261.394 2.413 20 0 CEADMP [NH3+]C1(C[NH2+]C/C=C\c2ccc(F)cc2F)CCC1 ZINC000414870663 394779895 /nfs/dbraw/zinc/77/98/95/394779895.db2.gz CCJKWJABHPRULN-IWQZZHSRSA-N 2 1 252.308 2.449 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422788490 394787206 /nfs/dbraw/zinc/78/72/06/394787206.db2.gz AVCIHEPOXJYFOY-YESZJQIVSA-N 2 1 279.472 2.358 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H]2CCCCC[C@H]2N)CC1 ZINC000422793627 394791774 /nfs/dbraw/zinc/79/17/74/394791774.db2.gz XFBYNDOIYNGYOV-CVEARBPZSA-N 2 1 267.461 2.358 20 0 CEADMP COc1ccc(O[C@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422795785 394792529 /nfs/dbraw/zinc/79/25/29/394792529.db2.gz WPWSSJABVNMDAB-WWGRRREGSA-N 2 1 278.396 2.193 20 0 CEADMP [NH3+]CCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000414899332 394794433 /nfs/dbraw/zinc/79/44/33/394794433.db2.gz FLHYRWTWJOEHMT-RCCFBDPRSA-N 3 1 287.451 2.226 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1ccc(OC(F)F)cc1)C1CC1 ZINC000414897596 394795033 /nfs/dbraw/zinc/79/50/33/394795033.db2.gz RWKKHJNEGQGROL-LBPRGKRZSA-N 2 1 256.296 2.115 20 0 CEADMP C[C@@]1(C[NH2+]Cc2cc(F)cc(F)c2)CCC[NH2+]C1 ZINC000414900285 394796076 /nfs/dbraw/zinc/79/60/76/394796076.db2.gz IJIWKYZFMFZXTK-CQSZACIVSA-N 2 1 254.324 2.444 20 0 CEADMP Cc1ccc2[nH]c(C[NH2+][C@H]3CCC[C@H]3C[NH3+])nc2c1 ZINC000422810509 394802465 /nfs/dbraw/zinc/80/24/65/394802465.db2.gz NIARNASELGRBIP-RYUDHWBXSA-N 2 1 258.369 2.088 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])[nH]c2c1 ZINC000422810509 394802467 /nfs/dbraw/zinc/80/24/67/394802467.db2.gz NIARNASELGRBIP-RYUDHWBXSA-N 2 1 258.369 2.088 20 0 CEADMP c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414920691 394803522 /nfs/dbraw/zinc/80/35/22/394803522.db2.gz YMWHLTBTSQPADJ-HNNXBMFYSA-N 2 1 270.380 2.104 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000414959211 394825396 /nfs/dbraw/zinc/82/53/96/394825396.db2.gz PVNWNMKRBRRZJF-WBMJQRKESA-N 2 1 288.370 2.099 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000414931732 394808856 /nfs/dbraw/zinc/80/88/56/394808856.db2.gz QHPBJZXMENYFBI-BPQIPLTHSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)CC[NH2+]1 ZINC000414941516 394814209 /nfs/dbraw/zinc/81/42/09/394814209.db2.gz CVXQEBQTRZZLNA-FZMZJTMJSA-N 2 1 271.364 2.171 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422830138 394816914 /nfs/dbraw/zinc/81/69/14/394816914.db2.gz IDDVBISFZHHYTB-BRWVUGGUSA-N 2 1 273.424 2.120 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422830138 394816920 /nfs/dbraw/zinc/81/69/20/394816920.db2.gz IDDVBISFZHHYTB-BRWVUGGUSA-N 2 1 273.424 2.120 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(N)c2)[C@H](C)C1 ZINC000414959985 394826002 /nfs/dbraw/zinc/82/60/02/394826002.db2.gz GMPRQQTYKSXFLK-CJNGLKHVSA-N 2 1 261.413 2.397 20 0 CEADMP CC(C)CC[NH+]1CCC(CN[C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422834505 394818718 /nfs/dbraw/zinc/81/87/18/394818718.db2.gz HPGJKDRJRMBCIR-NVXWUHKLSA-N 2 1 281.488 2.475 20 0 CEADMP Cc1csc(N2CCC([NH2+][C@H]3CCC[NH2+][C@@H]3C)CC2)n1 ZINC000414950038 394819461 /nfs/dbraw/zinc/81/94/61/394819461.db2.gz HBMUQJQVEMGKLW-OCCSQVGLSA-N 2 1 294.468 2.150 20 0 CEADMP CC1CCC(CN2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000336028396 394819777 /nfs/dbraw/zinc/81/97/77/394819777.db2.gz BGBDLYDDGQKYIX-SSHXOBKSSA-N 2 1 266.429 2.218 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCO[C@@H]3CCCCO3)CC[C@H]21 ZINC000361265936 394821311 /nfs/dbraw/zinc/82/13/11/394821311.db2.gz LRKFNABQOPNBTG-BRWVUGGUSA-N 2 1 296.455 2.336 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCO[C@@H]3CCCCO3)CC[C@H]21 ZINC000361265936 394821314 /nfs/dbraw/zinc/82/13/14/394821314.db2.gz LRKFNABQOPNBTG-BRWVUGGUSA-N 2 1 296.455 2.336 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCO[C@@H]3CCCCO3)CC[C@H]21 ZINC000361265936 394821318 /nfs/dbraw/zinc/82/13/18/394821318.db2.gz LRKFNABQOPNBTG-BRWVUGGUSA-N 2 1 296.455 2.336 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC(F)(F)F ZINC000422919716 394863368 /nfs/dbraw/zinc/86/33/68/394863368.db2.gz KETQEHJDZAJBSK-CMPLNLGQSA-N 2 1 260.303 2.487 20 0 CEADMP CC(C)n1nccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415057881 394867272 /nfs/dbraw/zinc/86/72/72/394867272.db2.gz UZCSBNVZTZMAFM-GDBMZVCRSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415057881 394867276 /nfs/dbraw/zinc/86/72/76/394867276.db2.gz UZCSBNVZTZMAFM-GDBMZVCRSA-N 2 1 276.428 2.428 20 0 CEADMP CC[C@H]1C[C@H](C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)CCO1 ZINC000415055616 394867538 /nfs/dbraw/zinc/86/75/38/394867538.db2.gz OMLMPLBHUQEKDK-APIJFGDWSA-N 2 1 254.418 2.108 20 0 CEADMP COc1ccccc1OCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129679771 394871781 /nfs/dbraw/zinc/87/17/81/394871781.db2.gz WBDRJOLGSQTGOQ-KGLIPLIRSA-N 2 1 278.396 2.146 20 0 CEADMP CC(C)CSCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423008665 394878329 /nfs/dbraw/zinc/87/83/29/394878329.db2.gz AWJTWEIEFWFLAU-ZNMIVQPWSA-N 2 1 286.485 2.122 20 0 CEADMP CCCC[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000130020170 394879579 /nfs/dbraw/zinc/87/95/79/394879579.db2.gz QWFXJEBWEIARTH-GDBMZVCRSA-N 2 1 279.472 2.466 20 0 CEADMP Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)CCC2 ZINC000423010272 394879918 /nfs/dbraw/zinc/87/99/18/394879918.db2.gz XIENXPDEHAYREM-KFWWJZLASA-N 2 1 276.428 2.189 20 0 CEADMP Cn1nccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415084587 394882015 /nfs/dbraw/zinc/88/20/15/394882015.db2.gz OWUTXDLXCZUCAY-HOCLYGCPSA-N 2 1 270.380 2.003 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423014445 394882352 /nfs/dbraw/zinc/88/23/52/394882352.db2.gz PBAVTDCQIFHEBB-UONOGXRCSA-N 2 1 284.407 2.190 20 0 CEADMP CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1OC ZINC000422847277 394826551 /nfs/dbraw/zinc/82/65/51/394826551.db2.gz RBWKKLKGAVWCIB-OLZOCXBDSA-N 2 1 264.369 2.063 20 0 CEADMP COCC1(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CCC1 ZINC000361397958 394827183 /nfs/dbraw/zinc/82/71/83/394827183.db2.gz ZPQUZOHAIXJSDA-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP Cc1ccc(OCCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422854135 394830713 /nfs/dbraw/zinc/83/07/13/394830713.db2.gz AGAKPYPWZBIMEC-HOCLYGCPSA-N 2 1 262.397 2.352 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCCC[C@@H]1C ZINC000422860009 394835161 /nfs/dbraw/zinc/83/51/61/394835161.db2.gz KXHRHPCRZOHBEG-WDFJATGCSA-N 2 1 265.445 2.122 20 0 CEADMP Cc1ccc(OCCC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422863214 394835703 /nfs/dbraw/zinc/83/57/03/394835703.db2.gz RGPRMAQZSNHGQR-ZBFHGGJFSA-N 2 1 262.397 2.494 20 0 CEADMP C[C@@H](CCC1CCCCC1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414980845 394835747 /nfs/dbraw/zinc/83/57/47/394835747.db2.gz WZNGFMYZBNMACL-HOCLYGCPSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414981986 394835977 /nfs/dbraw/zinc/83/59/77/394835977.db2.gz YLNSRANATUTCLP-NVXWUHKLSA-N 2 1 289.467 2.236 20 0 CEADMP Cc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c(OCC2CC2)c1 ZINC000422862673 394836192 /nfs/dbraw/zinc/83/61/92/394836192.db2.gz KQOCHOXTEDVKED-ZDUSSCGKSA-N 2 1 274.408 2.481 20 0 CEADMP CCCOc1ccc(C[NH2+]C[C@H]([NH3+])CC)cc1OC ZINC000414984703 394836501 /nfs/dbraw/zinc/83/65/01/394836501.db2.gz VNFJFCPBFINDSC-CYBMUJFWSA-N 2 1 266.385 2.311 20 0 CEADMP Cc1ccc([C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])N2CCCC2)o1 ZINC000422880860 394847168 /nfs/dbraw/zinc/84/71/68/394847168.db2.gz PBZYFAWGZJEDKI-GUTXKFCHSA-N 2 1 279.428 2.440 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)[C@H](C)[NH3+] ZINC000415012275 394848402 /nfs/dbraw/zinc/84/84/02/394848402.db2.gz SDARRAQJXLPPRG-DTWKUNHWSA-N 2 1 262.275 2.411 20 0 CEADMP C[C@@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422885259 394849139 /nfs/dbraw/zinc/84/91/39/394849139.db2.gz GQKMLKMJLDTARO-QXSJWSMHSA-N 2 1 267.461 2.370 20 0 CEADMP CC(C)c1csc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])n1 ZINC000422890745 394853268 /nfs/dbraw/zinc/85/32/68/394853268.db2.gz JDECWEZGAWPMAS-GRYCIOLGSA-N 2 1 283.441 2.108 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000336432205 394855356 /nfs/dbraw/zinc/85/53/56/394855356.db2.gz ZDBQJIDSPXVUEF-NVXWUHKLSA-N 2 1 274.408 2.065 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000336432205 394855359 /nfs/dbraw/zinc/85/53/59/394855359.db2.gz ZDBQJIDSPXVUEF-NVXWUHKLSA-N 2 1 274.408 2.065 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000422898672 394856110 /nfs/dbraw/zinc/85/61/10/394856110.db2.gz MNZZWGPOPHOMEF-CKEIUWERSA-N 2 1 291.414 2.240 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422897924 394856290 /nfs/dbraw/zinc/85/62/90/394856290.db2.gz KSZLYTORNXXJPI-CABCVRRESA-N 2 1 274.412 2.041 20 0 CEADMP Cc1cc(Cl)ccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415036000 394857939 /nfs/dbraw/zinc/85/79/39/394857939.db2.gz JQFVMKYBLLIEPO-CQSZACIVSA-N 2 1 268.788 2.117 20 0 CEADMP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000415039893 394859744 /nfs/dbraw/zinc/85/97/44/394859744.db2.gz OPFQNYPHDUWWEY-GXTWGEPZSA-N 2 1 270.380 2.294 20 0 CEADMP c1cncc(C[NH2+]CCC[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000423190654 394887382 /nfs/dbraw/zinc/88/73/82/394887382.db2.gz RHCHVWICFONPJV-HOTGVXAUSA-N 2 1 259.397 2.340 20 0 CEADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCC3CCCCC3)C2)nn1 ZINC000415117898 394895805 /nfs/dbraw/zinc/89/58/05/394895805.db2.gz DKDWRLYPBOLMRQ-MRXNPFEDSA-N 2 1 291.443 2.344 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423351229 394897907 /nfs/dbraw/zinc/89/79/07/394897907.db2.gz HOWPXEBKVBNHPT-ROUUACIJSA-N 3 1 285.435 2.331 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423351229 394897910 /nfs/dbraw/zinc/89/79/10/394897910.db2.gz HOWPXEBKVBNHPT-ROUUACIJSA-N 3 1 285.435 2.331 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000415125468 394898103 /nfs/dbraw/zinc/89/81/03/394898103.db2.gz LGDOINUWFIZAAT-WCQYABFASA-N 2 1 288.395 2.395 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423365701 394902686 /nfs/dbraw/zinc/90/26/86/394902686.db2.gz PKWPVRTTZVWGEV-QCODTGAPSA-N 2 1 266.429 2.169 20 0 CEADMP C[NH2+][C@@H](C)C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000423375519 394907016 /nfs/dbraw/zinc/90/70/16/394907016.db2.gz AGUQEOKVWYFIPI-STQMWFEESA-N 2 1 280.412 2.141 20 0 CEADMP CC[N@@H+](CC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)C1CC1 ZINC000131384386 394909274 /nfs/dbraw/zinc/90/92/74/394909274.db2.gz FZFKBAOYVBHYAX-YOEHRIQHSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423393436 394912632 /nfs/dbraw/zinc/91/26/32/394912632.db2.gz REFZDKPXWLAMQI-GJZGRUSLSA-N 2 1 278.444 2.276 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](CC)CC ZINC000338427880 394919448 /nfs/dbraw/zinc/91/94/48/394919448.db2.gz ZWIQIEPAIRLALA-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP COC[C@H](C)C[NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000131889045 394921128 /nfs/dbraw/zinc/92/11/28/394921128.db2.gz HNQHINMDWNEXPG-RRFJBIMHSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423431456 394921627 /nfs/dbraw/zinc/92/16/27/394921627.db2.gz VKEPEPIBOJILID-LEUOFYLZSA-N 2 1 289.467 2.300 20 0 CEADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])CC2 ZINC000423456132 394924856 /nfs/dbraw/zinc/92/48/56/394924856.db2.gz DFRYKAQHKJHOCF-OPQQBVKSSA-N 2 1 264.369 2.016 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)[C@@H](C)C2 ZINC000423488126 394933300 /nfs/dbraw/zinc/93/33/00/394933300.db2.gz DLEKCZGITIRROP-YSVLISHTSA-N 2 1 274.408 2.196 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cs1 ZINC000423492259 394934551 /nfs/dbraw/zinc/93/45/51/394934551.db2.gz MKQPWXGYPJHIGA-WCQYABFASA-N 2 1 254.399 2.086 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000423522056 394943591 /nfs/dbraw/zinc/94/35/91/394943591.db2.gz RGRYVKFHBYJVHY-FGTMMUONSA-N 2 1 287.451 2.206 20 0 CEADMP COCCc1nc(C)c([C@@H](C)[NH2+]CCC[NH2+]C2CC2)s1 ZINC000423556834 394951966 /nfs/dbraw/zinc/95/19/66/394951966.db2.gz MTTFQCUICNIOMR-LLVKDONJSA-N 2 1 297.468 2.433 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)C12CCC2 ZINC000423566298 394952853 /nfs/dbraw/zinc/95/28/53/394952853.db2.gz TZWHKWXLPJGYHL-MELADBBJSA-N 2 1 252.402 2.066 20 0 CEADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000415970052 394988758 /nfs/dbraw/zinc/98/87/58/394988758.db2.gz GSWLYURMOGVELI-SWLSCSKDSA-N 2 1 290.411 2.010 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415973565 394989522 /nfs/dbraw/zinc/98/95/22/394989522.db2.gz ORXKXCLINQVLOA-ZDUSSCGKSA-N 2 1 292.427 2.258 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000152273582 394991560 /nfs/dbraw/zinc/99/15/60/394991560.db2.gz GXXMINLUBSMUNT-JYJNAYRXSA-N 2 1 291.439 2.346 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H](O)C(F)(F)F ZINC000341375672 394999510 /nfs/dbraw/zinc/99/95/10/394999510.db2.gz UGMKRUXWAQZYEU-NEPJUHHUSA-N 2 1 282.350 2.151 20 0 CEADMP Cc1cn2c(n1)[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)CCC2 ZINC000370676246 395010883 /nfs/dbraw/zinc/01/08/83/395010883.db2.gz JNTDXBKVCXGUOL-AWEZNQCLSA-N 2 1 299.422 2.320 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CCO1 ZINC000339429266 394959377 /nfs/dbraw/zinc/95/93/77/394959377.db2.gz RDMPRPXBQSRXDI-OAGGEKHMSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)CCO1 ZINC000339429266 394959380 /nfs/dbraw/zinc/95/93/80/394959380.db2.gz RDMPRPXBQSRXDI-OAGGEKHMSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCO1 ZINC000339429266 394959384 /nfs/dbraw/zinc/95/93/84/394959384.db2.gz RDMPRPXBQSRXDI-OAGGEKHMSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC12CCOCC2 ZINC000367208136 394959584 /nfs/dbraw/zinc/95/95/84/394959584.db2.gz HLTABYSCZLKXIC-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC12CCOCC2 ZINC000367208136 394959589 /nfs/dbraw/zinc/95/95/89/394959589.db2.gz HLTABYSCZLKXIC-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC12CCOCC2 ZINC000367208136 394959592 /nfs/dbraw/zinc/95/95/92/394959592.db2.gz HLTABYSCZLKXIC-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000343971573 395047840 /nfs/dbraw/zinc/04/78/40/395047840.db2.gz COJOERAIWRTBOD-NFOMZHRRSA-N 2 1 284.444 2.428 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000343971573 395047845 /nfs/dbraw/zinc/04/78/45/395047845.db2.gz COJOERAIWRTBOD-NFOMZHRRSA-N 2 1 284.444 2.428 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H](C)CCn1cccn1)[NH+]1CCCC1 ZINC000158624051 395050117 /nfs/dbraw/zinc/05/01/17/395050117.db2.gz NHDMBOAYHYRPJN-CVEARBPZSA-N 2 1 278.444 2.372 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)[C@@H](C)C1 ZINC000346552931 395101313 /nfs/dbraw/zinc/10/13/13/395101313.db2.gz BJKTUADRBWZUOK-IXDOHACOSA-N 2 1 281.488 2.428 20 0 CEADMP CC(C)[NH2+]CC[N@@H+]1CCC[C@H]1[C@H]1C[C@H](C)CC[C@@H]1O ZINC000374068707 395071945 /nfs/dbraw/zinc/07/19/45/395071945.db2.gz NCVTUJBDNYNVPL-WCVJEAGWSA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)[NH2+]CC[N@H+]1CCC[C@H]1[C@H]1C[C@H](C)CC[C@@H]1O ZINC000374068707 395071946 /nfs/dbraw/zinc/07/19/46/395071946.db2.gz NCVTUJBDNYNVPL-WCVJEAGWSA-N 2 1 268.445 2.246 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C2CCCCC2)CC1 ZINC000162293486 395072842 /nfs/dbraw/zinc/07/28/42/395072842.db2.gz FBUPPLFCEXGIRT-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000163092325 395080761 /nfs/dbraw/zinc/08/07/61/395080761.db2.gz QAZGXWZTMRKWRI-AWEZNQCLSA-N 2 1 262.401 2.073 20 0 CEADMP C[C@]1(c2ccccc2)C[N@@H+](CCn2ccnc2)CCO1 ZINC000163296567 395083706 /nfs/dbraw/zinc/08/37/06/395083706.db2.gz ACMZDSCIUOOJFX-MRXNPFEDSA-N 2 1 271.364 2.131 20 0 CEADMP C[C@]1(c2ccccc2)CN(CCn2ccnc2)CCO1 ZINC000163296567 395083708 /nfs/dbraw/zinc/08/37/08/395083708.db2.gz ACMZDSCIUOOJFX-MRXNPFEDSA-N 2 1 271.364 2.131 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000427122201 395093363 /nfs/dbraw/zinc/09/33/63/395093363.db2.gz AQWNFFKEDHIVJM-CVEARBPZSA-N 2 1 259.397 2.006 20 0 CEADMP FC(F)Oc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427136735 395094136 /nfs/dbraw/zinc/09/41/36/395094136.db2.gz OWOLQQAJDDWKQW-OCCSQVGLSA-N 2 1 282.334 2.472 20 0 CEADMP FC(F)Oc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427136735 395094141 /nfs/dbraw/zinc/09/41/41/395094141.db2.gz OWOLQQAJDDWKQW-OCCSQVGLSA-N 2 1 282.334 2.472 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COc3ccc(F)cc3C2)CC[N@@H+]1C ZINC000290322846 395099627 /nfs/dbraw/zinc/09/96/27/395099627.db2.gz OKKPJKGKUYIVNN-UGFHNGPFSA-N 2 1 278.371 2.202 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COc3ccc(F)cc3C2)CC[N@H+]1C ZINC000290322846 395099632 /nfs/dbraw/zinc/09/96/32/395099632.db2.gz OKKPJKGKUYIVNN-UGFHNGPFSA-N 2 1 278.371 2.202 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000346695146 395104299 /nfs/dbraw/zinc/10/42/99/395104299.db2.gz YNMZVLWRYSFYLN-ZFWWWQNUSA-N 2 1 270.380 2.041 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[NH2+]CC2)C[C@H]1C ZINC000427317594 395104617 /nfs/dbraw/zinc/10/46/17/395104617.db2.gz XLYGXAVUEQKQJJ-PMPSAXMXSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000494818801 395148103 /nfs/dbraw/zinc/14/81/03/395148103.db2.gz DZLMNYORXFSWAW-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000380972312 395170763 /nfs/dbraw/zinc/17/07/63/395170763.db2.gz BBTPVYZYNKZROH-PVAVHDDUSA-N 2 1 275.440 2.366 20 0 CEADMP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000178676130 395172303 /nfs/dbraw/zinc/17/23/03/395172303.db2.gz IPQVHYFOQSRYOV-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@]2(CC=CCC2)C1)C1CC1 ZINC000351519226 395226873 /nfs/dbraw/zinc/22/68/73/395226873.db2.gz OEDOJZZIAFEFHV-SJORKVTESA-N 2 1 278.440 2.264 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@]2(CC=CCC2)C1)C1CC1 ZINC000351519226 395226877 /nfs/dbraw/zinc/22/68/77/395226877.db2.gz OEDOJZZIAFEFHV-SJORKVTESA-N 2 1 278.440 2.264 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1)C1CC1 ZINC000351519226 395226878 /nfs/dbraw/zinc/22/68/78/395226878.db2.gz OEDOJZZIAFEFHV-SJORKVTESA-N 2 1 278.440 2.264 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1)C1CC1 ZINC000351519226 395226880 /nfs/dbraw/zinc/22/68/80/395226880.db2.gz OEDOJZZIAFEFHV-SJORKVTESA-N 2 1 278.440 2.264 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000351592802 395227708 /nfs/dbraw/zinc/22/77/08/395227708.db2.gz AOBSRISWLWVSJB-IRXDYDNUSA-N 2 1 279.472 2.421 20 0 CEADMP CC(C)C1(C)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351610595 395228961 /nfs/dbraw/zinc/22/89/61/395228961.db2.gz OIMKKEWLICFKMF-HNNXBMFYSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)C1(C)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351610595 395228973 /nfs/dbraw/zinc/22/89/73/395228973.db2.gz OIMKKEWLICFKMF-HNNXBMFYSA-N 2 1 268.445 2.200 20 0 CEADMP C[C@H]([NH3+])[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398225763 395231075 /nfs/dbraw/zinc/23/10/75/395231075.db2.gz XUFIWFJEBHTLII-JKQORVJESA-N 2 1 275.440 2.222 20 0 CEADMP CO[C@H](C)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000182219878 395237229 /nfs/dbraw/zinc/23/72/29/395237229.db2.gz AXGMJDPYRUGRQI-OAGGEKHMSA-N 2 1 298.471 2.233 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)CC2 ZINC000521225651 395253869 /nfs/dbraw/zinc/25/38/69/395253869.db2.gz QEDKPUYCVXTWBS-JSGCOSHPSA-N 2 1 299.422 2.480 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179244083 395187340 /nfs/dbraw/zinc/18/73/40/395187340.db2.gz TVTSDBZRDYIJPR-JKSUJKDBSA-N 2 1 265.445 2.031 20 0 CEADMP Cc1ccc(N2CCC([NH2+]CC[C@@H]3CCOC3)CC2)[nH+]c1 ZINC000438184574 395209585 /nfs/dbraw/zinc/20/95/85/395209585.db2.gz BZEDZTMPALWIAX-OAHLLOKOSA-N 2 1 289.423 2.375 20 0 CEADMP COc1ccc(OCC[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000397308612 395221277 /nfs/dbraw/zinc/22/12/77/395221277.db2.gz NOSUWDFCQYRMDB-KFWWJZLASA-N 2 1 292.423 2.379 20 0 CEADMP COCc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])o1 ZINC000404266091 395281457 /nfs/dbraw/zinc/28/14/57/395281457.db2.gz HNOTUECXXDGMRV-IUODEOHRSA-N 2 1 266.385 2.375 20 0 CEADMP CCc1cc(N2CCC[C@H](C)[C@@H]2CC[NH3+])nc(C)[nH+]1 ZINC000404351767 395282715 /nfs/dbraw/zinc/28/27/15/395282715.db2.gz JQUCOEOOOCQXNH-FZMZJTMJSA-N 2 1 262.401 2.301 20 0 CEADMP C[C@H]1CC[N@H+](CCC(=O)NCC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000420323808 395325657 /nfs/dbraw/zinc/32/56/57/395325657.db2.gz ABEYELBMZRTCIU-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]1CC[N@@H+](CCC(=O)NCC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000420323808 395325661 /nfs/dbraw/zinc/32/56/61/395325661.db2.gz ABEYELBMZRTCIU-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP CCc1ccccc1[C@@H]([NH3+])CNc1nc(C)[nH+]c(C)c1C ZINC000420289451 395296706 /nfs/dbraw/zinc/29/67/06/395296706.db2.gz ZHXWFUOXURZEFK-INIZCTEOSA-N 2 1 284.407 2.498 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000353509548 395299802 /nfs/dbraw/zinc/29/98/02/395299802.db2.gz HLOAXCJEAXEUPD-XHSDSOJGSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)[C@@H]2CCC[C@@H]21 ZINC000353505806 395300162 /nfs/dbraw/zinc/30/01/62/395300162.db2.gz WFHVLEXVEXSCLE-KFGODFMUSA-N 2 1 286.419 2.107 20 0 CEADMP CC[C@@H](C)C[N@H+](CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420298106 395303691 /nfs/dbraw/zinc/30/36/91/395303691.db2.gz GSTVHHSERSMJEO-PVAVHDDUSA-N 2 1 278.440 2.285 20 0 CEADMP CC[C@@H](C)C[N@@H+](CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420298106 395303694 /nfs/dbraw/zinc/30/36/94/395303694.db2.gz GSTVHHSERSMJEO-PVAVHDDUSA-N 2 1 278.440 2.285 20 0 CEADMP C[C@@H]([NH3+])C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000420301498 395308081 /nfs/dbraw/zinc/30/80/81/395308081.db2.gz LHQLDFLJNZKIKK-GFCCVEGCSA-N 2 1 250.361 2.427 20 0 CEADMP COCCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000420305554 395309360 /nfs/dbraw/zinc/30/93/60/395309360.db2.gz GPPQQAVVXASZRI-INIZCTEOSA-N 2 1 277.412 2.062 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCSC[C@@H]2C)cc1 ZINC000420308128 395312402 /nfs/dbraw/zinc/31/24/02/395312402.db2.gz SBAWUPMVSHTORT-JSGCOSHPSA-N 2 1 280.437 2.175 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)CO1 ZINC000420308089 395313083 /nfs/dbraw/zinc/31/30/83/395313083.db2.gz RZJRCTHOXDRAGJ-BFYDXBDKSA-N 2 1 274.408 2.448 20 0 CEADMP CCN(CC)CC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(C)C ZINC000420308157 395313373 /nfs/dbraw/zinc/31/33/73/395313373.db2.gz CPRCBVMHFRGQNC-INIZCTEOSA-N 2 1 269.477 2.286 20 0 CEADMP C(CN1CCCCC1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420309693 395315316 /nfs/dbraw/zinc/31/53/16/395315316.db2.gz FEXMLRGETXFEJY-QGZVFWFLSA-N 2 1 279.472 2.184 20 0 CEADMP C(CN1CCC([C@@H]2CC[NH2+]C2)CC1)C[NH+]1CCCCC1 ZINC000420309693 395315318 /nfs/dbraw/zinc/31/53/18/395315318.db2.gz FEXMLRGETXFEJY-QGZVFWFLSA-N 2 1 279.472 2.184 20 0 CEADMP c1ccc([C@H]2COCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420314056 395318826 /nfs/dbraw/zinc/31/88/26/395318826.db2.gz YNNSGJAKBIBPEG-GDBMZVCRSA-N 2 1 260.381 2.060 20 0 CEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1nc2c(s1)CCCC2 ZINC000420314988 395318845 /nfs/dbraw/zinc/31/88/45/395318845.db2.gz KSSOKZRXWQXBFG-LBPRGKRZSA-N 2 1 279.453 2.453 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C[C@@H](C)O1 ZINC000420315325 395320002 /nfs/dbraw/zinc/32/00/02/395320002.db2.gz LREXSGHHGPRVEM-VNQPRFMTSA-N 2 1 292.423 2.237 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C[C@@H](C)O1 ZINC000420315325 395320007 /nfs/dbraw/zinc/32/00/07/395320007.db2.gz LREXSGHHGPRVEM-VNQPRFMTSA-N 2 1 292.423 2.237 20 0 CEADMP C[C@@H](c1cnccn1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420318108 395321867 /nfs/dbraw/zinc/32/18/67/395321867.db2.gz PILQFQCSSAEZHR-IMJJTQAJSA-N 2 1 282.391 2.212 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCOCC(F)(F)C(F)F ZINC000420321005 395324410 /nfs/dbraw/zinc/32/44/10/395324410.db2.gz VANABHQECHKZOH-JTQLQIEISA-N 2 1 286.313 2.107 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](C)[C@H](OC)C2)cc1 ZINC000420367301 395353691 /nfs/dbraw/zinc/35/36/91/395353691.db2.gz VJKROLYWPJPNST-FRFSOERESA-N 2 1 292.423 2.094 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000420369309 395355310 /nfs/dbraw/zinc/35/53/10/395355310.db2.gz OIFFJUUHYSAGRH-XHBSWPGZSA-N 2 1 293.386 2.130 20 0 CEADMP COC[C@H]1CCCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420376335 395362190 /nfs/dbraw/zinc/36/21/90/395362190.db2.gz QLXPNCYFYXRMCV-CABCVRRESA-N 2 1 254.418 2.125 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCCOc1ccccc1 ZINC000420376549 395362679 /nfs/dbraw/zinc/36/26/79/395362679.db2.gz VFBHEKREHQYTBP-YCPHGPKFSA-N 2 1 262.397 2.432 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccccc1F ZINC000420379720 395363613 /nfs/dbraw/zinc/36/36/13/395363613.db2.gz YAMMLADDWZDTMQ-BFQNTYOBSA-N 2 1 293.386 2.130 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@@H+]2CC[C@H]([NH3+])C2)cc1F ZINC000435370986 395367617 /nfs/dbraw/zinc/36/76/17/395367617.db2.gz KSPOLFKZHKKTDM-YPMHNXCESA-N 2 1 266.360 2.046 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@H+]2CC[C@H]([NH3+])C2)cc1F ZINC000435370986 395367621 /nfs/dbraw/zinc/36/76/21/395367621.db2.gz KSPOLFKZHKKTDM-YPMHNXCESA-N 2 1 266.360 2.046 20 0 CEADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420395477 395369706 /nfs/dbraw/zinc/36/97/06/395369706.db2.gz DKSSUAXYVBZZJD-KFWWJZLASA-N 2 1 295.471 2.083 20 0 CEADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420395477 395369710 /nfs/dbraw/zinc/36/97/10/395369710.db2.gz DKSSUAXYVBZZJD-KFWWJZLASA-N 2 1 295.471 2.083 20 0 CEADMP c1cc(CCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccn1 ZINC000420398557 395370614 /nfs/dbraw/zinc/37/06/14/395370614.db2.gz NGJULMUWUNVOOY-IRXDYDNUSA-N 2 1 273.424 2.478 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435624595 395378680 /nfs/dbraw/zinc/37/86/80/395378680.db2.gz XZMOKCHDRUNMCG-HNNXBMFYSA-N 2 1 293.386 2.228 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccsc2)CC12CCOCC2 ZINC000420334409 395332581 /nfs/dbraw/zinc/33/25/81/395332581.db2.gz UKJOWKIWBQGFPW-HNNXBMFYSA-N 2 1 294.464 2.368 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334245 395333536 /nfs/dbraw/zinc/33/35/36/395333536.db2.gz UBHVOYFCBWKCQF-BNOWGMLFSA-N 2 1 290.411 2.330 20 0 CEADMP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338848 395335025 /nfs/dbraw/zinc/33/50/25/395335025.db2.gz YDNUUPBIUVXANI-QLFBSQMISA-N 2 1 282.428 2.040 20 0 CEADMP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000420341836 395335897 /nfs/dbraw/zinc/33/58/97/395335897.db2.gz QJFSHDWZHXBYED-SWLSCSKDSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000420341836 395335901 /nfs/dbraw/zinc/33/59/01/395335901.db2.gz QJFSHDWZHXBYED-SWLSCSKDSA-N 2 1 293.386 2.214 20 0 CEADMP CC[NH+](CC)CCCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420340592 395336495 /nfs/dbraw/zinc/33/64/95/395336495.db2.gz SYBZQHDNXQCZIO-INIZCTEOSA-N 2 1 267.461 2.182 20 0 CEADMP Fc1cccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420347846 395339969 /nfs/dbraw/zinc/33/99/69/395339969.db2.gz ZLXWRJMYXWNCCL-OKILXGFUSA-N 2 1 278.371 2.136 20 0 CEADMP CC(C)c1cc(N(C)C[C@@H]2CCC[N@@H+]2C)nc(N(C)C)[nH+]1 ZINC000420637904 395396734 /nfs/dbraw/zinc/39/67/34/395396734.db2.gz PNIMOLUNVVBKEF-ZDUSSCGKSA-N 2 1 291.443 2.196 20 0 CEADMP CC(C)c1cc(N(C)C[C@@H]2CCC[N@H+]2C)nc(N(C)C)[nH+]1 ZINC000420637904 395396737 /nfs/dbraw/zinc/39/67/37/395396737.db2.gz PNIMOLUNVVBKEF-ZDUSSCGKSA-N 2 1 291.443 2.196 20 0 CEADMP CC(C)N(C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)C1CCCC1 ZINC000420356813 395344401 /nfs/dbraw/zinc/34/44/01/395344401.db2.gz GPLMAHBPKVATOQ-HNNXBMFYSA-N 2 1 295.471 2.144 20 0 CEADMP C(C[NH+]1CCN(C2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000420357428 395344958 /nfs/dbraw/zinc/34/49/58/395344958.db2.gz HUOCAMPXQAEMCG-UHFFFAOYSA-N 2 1 279.472 2.326 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420358105 395345047 /nfs/dbraw/zinc/34/50/47/395345047.db2.gz DXLSSHOKVFKVFY-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)CC1([NH+](C)C)CCC1 ZINC000445858463 395473321 /nfs/dbraw/zinc/47/33/21/395473321.db2.gz DFWYCHKYZWMNFC-HNNXBMFYSA-N 2 1 267.461 2.277 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444716040 395448293 /nfs/dbraw/zinc/44/82/93/395448293.db2.gz IRVBUFKKRSTBIF-JHJVBQTASA-N 2 1 294.361 2.106 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444716040 395448294 /nfs/dbraw/zinc/44/82/94/395448294.db2.gz IRVBUFKKRSTBIF-JHJVBQTASA-N 2 1 294.361 2.106 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444716040 395448296 /nfs/dbraw/zinc/44/82/96/395448296.db2.gz IRVBUFKKRSTBIF-JHJVBQTASA-N 2 1 294.361 2.106 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444716040 395448298 /nfs/dbraw/zinc/44/82/98/395448298.db2.gz IRVBUFKKRSTBIF-JHJVBQTASA-N 2 1 294.361 2.106 20 0 CEADMP Cc1nc(NCC2CC[NH+](C3CC3)CC2)c(C)c(C)[nH+]1 ZINC000444873379 395457123 /nfs/dbraw/zinc/45/71/23/395457123.db2.gz PAESBBPVGFTMAB-UHFFFAOYSA-N 2 1 274.412 2.110 20 0 CEADMP CCC(C)(C)CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436064443 395404876 /nfs/dbraw/zinc/40/48/76/395404876.db2.gz ZKBPUIBORRFCQX-AWEZNQCLSA-N 2 1 283.460 2.132 20 0 CEADMP CCN1CC[N@H+](Cc2ccc(C)o2)C[C@@H]1c1ncc[nH]1 ZINC000355311033 395406217 /nfs/dbraw/zinc/40/62/17/395406217.db2.gz ILSICXFCAPJJDN-CQSZACIVSA-N 2 1 274.368 2.190 20 0 CEADMP CCN1CC[N@@H+](Cc2ccc(C)o2)C[C@@H]1c1ncc[nH]1 ZINC000355311033 395406218 /nfs/dbraw/zinc/40/62/18/395406218.db2.gz ILSICXFCAPJJDN-CQSZACIVSA-N 2 1 274.368 2.190 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2cnoc2C)C[C@@H]1C ZINC000445820236 395470707 /nfs/dbraw/zinc/47/07/07/395470707.db2.gz SGJPMABCPWVHMV-FZMZJTMJSA-N 2 1 251.374 2.288 20 0 CEADMP CCCCOCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000355346436 395417322 /nfs/dbraw/zinc/41/73/22/395417322.db2.gz UUOKNZNYHZQVMQ-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CCCCOCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000355346436 395417324 /nfs/dbraw/zinc/41/73/24/395417324.db2.gz UUOKNZNYHZQVMQ-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CCCCOCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000355346436 395417326 /nfs/dbraw/zinc/41/73/26/395417326.db2.gz UUOKNZNYHZQVMQ-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CCCCOCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000355346436 395417329 /nfs/dbraw/zinc/41/73/29/395417329.db2.gz UUOKNZNYHZQVMQ-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@@H+]2CCc1ccc2c(c1)CCO2 ZINC000565432365 395471287 /nfs/dbraw/zinc/47/12/87/395471287.db2.gz LXWOKNPLXVSFDB-UHFFFAOYSA-N 2 1 286.419 2.367 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@H+]2CCc1ccc2c(c1)CCO2 ZINC000565432365 395471290 /nfs/dbraw/zinc/47/12/90/395471290.db2.gz LXWOKNPLXVSFDB-UHFFFAOYSA-N 2 1 286.419 2.367 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)CC1 ZINC000355357793 395419717 /nfs/dbraw/zinc/41/97/17/395419717.db2.gz OTYLTDIVTYENGY-YUTCNCBUSA-N 2 1 254.418 2.120 20 0 CEADMP O[C@H]1C[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000420907813 395435085 /nfs/dbraw/zinc/43/50/85/395435085.db2.gz VNSZUBMWOFMKPP-ZACQAIPSSA-N 2 1 280.456 2.345 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000420919899 395435144 /nfs/dbraw/zinc/43/51/44/395435144.db2.gz IULKOVZRMDHNSM-DZJNRPSUSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000420919899 395435145 /nfs/dbraw/zinc/43/51/45/395435145.db2.gz IULKOVZRMDHNSM-DZJNRPSUSA-N 2 1 288.435 2.258 20 0 CEADMP CC[N@H+]1C[C@H](C)N(CCC[NH+]2CCCCC2)C[C@@H]1C ZINC000444610757 395439810 /nfs/dbraw/zinc/43/98/10/395439810.db2.gz QVVITDIQEKBHKZ-HOTGVXAUSA-N 2 1 267.461 2.277 20 0 CEADMP CCOCC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000444674776 395444799 /nfs/dbraw/zinc/44/47/99/395444799.db2.gz PZTWBQVEJPNQBW-ZOBUZTSGSA-N 2 1 298.471 2.017 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000566230656 395507048 /nfs/dbraw/zinc/50/70/48/395507048.db2.gz ALLZALNIPRVYDO-BBRMVZONSA-N 2 1 282.391 2.313 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000566230656 395507051 /nfs/dbraw/zinc/50/70/51/395507051.db2.gz ALLZALNIPRVYDO-BBRMVZONSA-N 2 1 282.391 2.313 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2[NH+](C)CCCC2(C)C)[C@H](C)C1 ZINC000448022653 395508088 /nfs/dbraw/zinc/50/80/88/395508088.db2.gz PAVWFAJHCLEQRQ-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2[N@H+](C)CCCC2(C)C)[C@H](C)C1 ZINC000448022653 395508092 /nfs/dbraw/zinc/50/80/92/395508092.db2.gz PAVWFAJHCLEQRQ-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2[N@@H+](C)CCCC2(C)C)[C@H](C)C1 ZINC000448022653 395508094 /nfs/dbraw/zinc/50/80/94/395508094.db2.gz PAVWFAJHCLEQRQ-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2N(C)CCCC2(C)C)[C@H](C)C1 ZINC000448022653 395508097 /nfs/dbraw/zinc/50/80/97/395508097.db2.gz PAVWFAJHCLEQRQ-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2N(C)CCCC2(C)C)[C@H](C)C1 ZINC000448022653 395508100 /nfs/dbraw/zinc/50/81/00/395508100.db2.gz PAVWFAJHCLEQRQ-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000566482674 395529932 /nfs/dbraw/zinc/52/99/32/395529932.db2.gz WBDMKAKHHBTSMC-FHLIZLRMSA-N 2 1 287.451 2.293 20 0 CEADMP C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000566482674 395529934 /nfs/dbraw/zinc/52/99/34/395529934.db2.gz WBDMKAKHHBTSMC-FHLIZLRMSA-N 2 1 287.451 2.293 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000567864280 395537346 /nfs/dbraw/zinc/53/73/46/395537346.db2.gz VXSNTTAQSVUGAV-ZDUSSCGKSA-N 2 1 270.380 2.247 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000567864280 395537349 /nfs/dbraw/zinc/53/73/49/395537349.db2.gz VXSNTTAQSVUGAV-ZDUSSCGKSA-N 2 1 270.380 2.247 20 0 CEADMP COc1ccc(CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000567889273 395539596 /nfs/dbraw/zinc/53/95/96/395539596.db2.gz HBZQQSRAWZXMHP-KRWDZBQOSA-N 2 1 274.408 2.313 20 0 CEADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449415130 395547196 /nfs/dbraw/zinc/54/71/96/395547196.db2.gz NHQNGPCUAAQMRT-JONQDZQNSA-N 2 1 294.439 2.325 20 0 CEADMP Cc1ccccc1[C@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000565594761 395477100 /nfs/dbraw/zinc/47/71/00/395477100.db2.gz WZMVBNGTNZAHDQ-BFYDXBDKSA-N 2 1 288.435 2.286 20 0 CEADMP Cc1ccccc1[C@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000565594761 395477101 /nfs/dbraw/zinc/47/71/01/395477101.db2.gz WZMVBNGTNZAHDQ-BFYDXBDKSA-N 2 1 288.435 2.286 20 0 CEADMP COC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCCC1 ZINC000446820762 395499463 /nfs/dbraw/zinc/49/94/63/395499463.db2.gz HKIHDFLOOOJPKG-IRXDYDNUSA-N 2 1 298.471 2.018 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H](c1ccccc1)C1CC1)C1CC1 ZINC000573439489 395608940 /nfs/dbraw/zinc/60/89/40/395608940.db2.gz SVLFUNOUFVBRQY-QZTJIDSGSA-N 2 1 288.435 2.225 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](c1ccccc1)C1CC1)C1CC1 ZINC000573439489 395608941 /nfs/dbraw/zinc/60/89/41/395608941.db2.gz SVLFUNOUFVBRQY-QZTJIDSGSA-N 2 1 288.435 2.225 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](c1ccccc1)C1CC1)C1CC1 ZINC000573439491 395609236 /nfs/dbraw/zinc/60/92/36/395609236.db2.gz SVLFUNOUFVBRQY-ZWKOTPCHSA-N 2 1 288.435 2.225 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](c1ccccc1)C1CC1)C1CC1 ZINC000573439491 395609239 /nfs/dbraw/zinc/60/92/39/395609239.db2.gz SVLFUNOUFVBRQY-ZWKOTPCHSA-N 2 1 288.435 2.225 20 0 CEADMP Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)nc2c1 ZINC000568748517 395569327 /nfs/dbraw/zinc/56/93/27/395569327.db2.gz BOQGWYOTIUMTEQ-QWHCGFSZSA-N 2 1 272.396 2.349 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000569217893 395575302 /nfs/dbraw/zinc/57/53/02/395575302.db2.gz OCEAHLYCTINKJT-RBSFLKMASA-N 2 1 295.471 2.001 20 0 CEADMP CCc1cc(N(C)[C@H]2CC[N@H+](C(C)C)C2)nc(C)n1 ZINC000450952731 395581546 /nfs/dbraw/zinc/58/15/46/395581546.db2.gz IWARELACNYFJLU-AWEZNQCLSA-N 2 1 262.401 2.266 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451700488 395624147 /nfs/dbraw/zinc/62/41/47/395624147.db2.gz NUJNIDPQXLDBSZ-OWCLPIDISA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451700488 395624149 /nfs/dbraw/zinc/62/41/49/395624149.db2.gz NUJNIDPQXLDBSZ-OWCLPIDISA-N 2 1 268.445 2.201 20 0 CEADMP C[C@H](O)C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000574811257 395637952 /nfs/dbraw/zinc/63/79/52/395637952.db2.gz DRSWHOQWIJSXMI-HNNXBMFYSA-N 2 1 276.424 2.259 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000493923253 395678028 /nfs/dbraw/zinc/67/80/28/395678028.db2.gz AEUSLSPEWQISEK-ZBFHGGJFSA-N 2 1 274.408 2.312 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000493923251 395678039 /nfs/dbraw/zinc/67/80/39/395678039.db2.gz AEUSLSPEWQISEK-GOEBONIOSA-N 2 1 274.408 2.312 20 0 CEADMP OCc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000647323229 395702673 /nfs/dbraw/zinc/70/26/73/395702673.db2.gz RDFOHUMYPOKCMM-UHFFFAOYSA-N 2 1 274.408 2.143 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC000647344603 395707275 /nfs/dbraw/zinc/70/72/75/395707275.db2.gz VINGWCLBHKNDBR-OWLYRPNTSA-N 2 1 288.435 2.346 20 0 CEADMP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)nc1 ZINC000647496523 395721665 /nfs/dbraw/zinc/72/16/65/395721665.db2.gz QVGLQPXRRYZSII-CHWSQXEVSA-N 2 1 263.385 2.040 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)nc1 ZINC000647496523 395721667 /nfs/dbraw/zinc/72/16/67/395721667.db2.gz QVGLQPXRRYZSII-CHWSQXEVSA-N 2 1 263.385 2.040 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cnc3ccc(C)cn23)CC[C@H]1[NH3+] ZINC000647498099 395721825 /nfs/dbraw/zinc/72/18/25/395721825.db2.gz AEQCQCJIBVVEHN-DZGCQCFKSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cnc3ccc(C)cn23)CC[C@H]1[NH3+] ZINC000647498099 395721827 /nfs/dbraw/zinc/72/18/27/395721827.db2.gz AEQCQCJIBVVEHN-DZGCQCFKSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccccc2NC(C)=O)CC[C@@H]1[NH3+] ZINC000647498164 395722486 /nfs/dbraw/zinc/72/24/86/395722486.db2.gz BVYXPTJRYAMXAT-HIFRSBDPSA-N 2 1 275.396 2.204 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccccc2NC(C)=O)CC[C@@H]1[NH3+] ZINC000647498164 395722487 /nfs/dbraw/zinc/72/24/87/395722487.db2.gz BVYXPTJRYAMXAT-HIFRSBDPSA-N 2 1 275.396 2.204 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000647549479 395733551 /nfs/dbraw/zinc/73/35/51/395733551.db2.gz CRDUAFDOBAVBGN-HRCADAONSA-N 2 1 273.424 2.101 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2c1C ZINC000647709885 395747400 /nfs/dbraw/zinc/74/74/00/395747400.db2.gz ZBSGFEOAONSNBS-UONOGXRCSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647789754 395755220 /nfs/dbraw/zinc/75/52/20/395755220.db2.gz KMKZROIYUBNUJA-FLXSYLCISA-N 3 1 293.499 2.332 20 0 CEADMP COCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000647879522 395767864 /nfs/dbraw/zinc/76/78/64/395767864.db2.gz HURJLVBLQVWSJI-HUUCEWRRSA-N 2 1 262.397 2.306 20 0 CEADMP COc1ccccc1[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647886649 395769015 /nfs/dbraw/zinc/76/90/15/395769015.db2.gz FPNRBIZPXMKMIZ-KGLIPLIRSA-N 2 1 260.381 2.094 20 0 CEADMP Fc1ccc(C[C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647885962 395769149 /nfs/dbraw/zinc/76/91/49/395769149.db2.gz VMFJZXHQFLVLMA-HUUCEWRRSA-N 2 1 262.372 2.300 20 0 CEADMP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@@H](C(F)(F)F)O1 ZINC000647889390 395769503 /nfs/dbraw/zinc/76/95/03/395769503.db2.gz MAAWQCVPABIUND-JQWIXIFHSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H](C(F)(F)F)O1 ZINC000647889390 395769505 /nfs/dbraw/zinc/76/95/05/395769505.db2.gz MAAWQCVPABIUND-JQWIXIFHSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976837 395793569 /nfs/dbraw/zinc/79/35/69/395793569.db2.gz UUGBLAWMBKDHFL-QLFBSQMISA-N 2 1 295.471 2.001 20 0 CEADMP CCOCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978443 395794202 /nfs/dbraw/zinc/79/42/02/395794202.db2.gz RUWBVSZSHLKTBM-LSDHHAIUSA-N 2 1 254.418 2.125 20 0 CEADMP C(c1noc2c1CCCC2)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647986888 395795745 /nfs/dbraw/zinc/79/57/45/395795745.db2.gz JSTMGUSYLZXWFP-KBPBESRZSA-N 2 1 289.423 2.375 20 0 CEADMP CC[C@H]1CN(C[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000647989954 395796411 /nfs/dbraw/zinc/79/64/11/395796411.db2.gz JBLNEJKAJDCWBG-ROUUACIJSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647988435 395796641 /nfs/dbraw/zinc/79/66/41/395796641.db2.gz IYFCQZPMMJNZHM-LSDHHAIUSA-N 2 1 291.414 2.114 20 0 CEADMP Cc1nnc([C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)[nH]1 ZINC000647988522 395796646 /nfs/dbraw/zinc/79/66/46/395796646.db2.gz WLSMWNXSNBIQCS-OAHLLOKOSA-N 2 1 291.443 2.072 20 0 CEADMP Cc1n[nH]c([C@@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000647988522 395796647 /nfs/dbraw/zinc/79/66/47/395796647.db2.gz WLSMWNXSNBIQCS-OAHLLOKOSA-N 2 1 291.443 2.072 20 0 CEADMP Cc1n[nH]c([C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000647988522 395796648 /nfs/dbraw/zinc/79/66/48/395796648.db2.gz WLSMWNXSNBIQCS-OAHLLOKOSA-N 2 1 291.443 2.072 20 0 CEADMP Cc1nc([C@@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n[nH]1 ZINC000647988522 395796649 /nfs/dbraw/zinc/79/66/49/395796649.db2.gz WLSMWNXSNBIQCS-OAHLLOKOSA-N 2 1 291.443 2.072 20 0 CEADMP Cc1nc([C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n[nH]1 ZINC000647988522 395796650 /nfs/dbraw/zinc/79/66/50/395796650.db2.gz WLSMWNXSNBIQCS-OAHLLOKOSA-N 2 1 291.443 2.072 20 0 CEADMP NC[C@H]1c2ccccc2CC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647995228 395798127 /nfs/dbraw/zinc/79/81/27/395798127.db2.gz HFAIVJISSWRMEA-SFHVURJKSA-N 2 1 287.451 2.324 20 0 CEADMP NC[C@H]1c2ccccc2CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647995228 395798128 /nfs/dbraw/zinc/79/81/28/395798128.db2.gz HFAIVJISSWRMEA-SFHVURJKSA-N 2 1 287.451 2.324 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000648763897 395977981 /nfs/dbraw/zinc/97/79/81/395977981.db2.gz NUWXJJXCNDCIAH-KGLIPLIRSA-N 2 1 294.443 2.243 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@H+](C)[C@H](C)CC ZINC000648763897 395977983 /nfs/dbraw/zinc/97/79/83/395977983.db2.gz NUWXJJXCNDCIAH-KGLIPLIRSA-N 2 1 294.443 2.243 20 0 CEADMP CCCN(CC[NH+](C)C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648770451 395979006 /nfs/dbraw/zinc/97/90/06/395979006.db2.gz GLIFFBPYBJJKMS-CQSZACIVSA-N 2 1 294.443 2.197 20 0 CEADMP CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]1CC[N@@H+](C)C1 ZINC000649000445 396039763 /nfs/dbraw/zinc/03/97/63/396039763.db2.gz VYMODXCJEIKEPV-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP CCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]1CC[N@@H+](C)C1 ZINC000649000443 396039926 /nfs/dbraw/zinc/03/99/26/396039926.db2.gz VYMODXCJEIKEPV-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP Cc1cccc(Cl)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000649253083 396103071 /nfs/dbraw/zinc/10/30/71/396103071.db2.gz DEJYLJJEMUZXSD-RYUDHWBXSA-N 2 1 250.773 2.300 20 0 CEADMP C[NH2+]CCCN1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000649411702 396146437 /nfs/dbraw/zinc/14/64/37/396146437.db2.gz VHROOGKKNMLQJF-UHFFFAOYSA-N 2 1 275.440 2.112 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000649569353 396193419 /nfs/dbraw/zinc/19/34/19/396193419.db2.gz JEIFAMMDXZPFQQ-SJORKVTESA-N 2 1 273.424 2.069 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000649569353 396193420 /nfs/dbraw/zinc/19/34/20/396193420.db2.gz JEIFAMMDXZPFQQ-SJORKVTESA-N 2 1 273.424 2.069 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000649569353 396193421 /nfs/dbraw/zinc/19/34/21/396193421.db2.gz JEIFAMMDXZPFQQ-SJORKVTESA-N 2 1 273.424 2.069 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000649569353 396193422 /nfs/dbraw/zinc/19/34/22/396193422.db2.gz JEIFAMMDXZPFQQ-SJORKVTESA-N 2 1 273.424 2.069 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@H](C)CO)CC1 ZINC000649800574 396261060 /nfs/dbraw/zinc/26/10/60/396261060.db2.gz XORDKSXFLZFVAV-CQSZACIVSA-N 2 1 279.428 2.312 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000646052080 396279262 /nfs/dbraw/zinc/27/92/62/396279262.db2.gz ZPAHWQVDFVLXAS-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000646052080 396279264 /nfs/dbraw/zinc/27/92/64/396279264.db2.gz ZPAHWQVDFVLXAS-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000646052080 396279267 /nfs/dbraw/zinc/27/92/67/396279267.db2.gz ZPAHWQVDFVLXAS-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000646805510 396383090 /nfs/dbraw/zinc/38/30/90/396383090.db2.gz MPZSRJNHBHZFAR-CZUORRHYSA-N 2 1 289.423 2.197 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)Cc1nc(C2([NH3+])CCCC2)no1 ZINC000647138164 396415450 /nfs/dbraw/zinc/41/54/50/396415450.db2.gz HCURTTHJZVBHSC-NSHDSACASA-N 2 1 289.383 2.360 20 0 CEADMP C[C@@H](c1nc([C@H]2CCC[NH2+]2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000647145851 396418491 /nfs/dbraw/zinc/41/84/91/396418491.db2.gz GLSCSGCDNJMIIO-WHOHXGKFSA-N 2 1 264.373 2.428 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CCC(F)(F)CC1 ZINC000647182181 396432421 /nfs/dbraw/zinc/43/24/21/396432421.db2.gz MDAPHPYTGFLAIF-CQSZACIVSA-N 2 1 290.398 2.391 20 0 CEADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249137 396450014 /nfs/dbraw/zinc/45/00/14/396450014.db2.gz DPJLNEDXVZUPFQ-ORQFMDKSSA-N 2 1 274.408 2.099 20 0 CEADMP C[N@H+]1C[C@@H](CNC2CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC000647248615 396450308 /nfs/dbraw/zinc/45/03/08/396450308.db2.gz MBDDMSGJHJNGGH-AEFFLSMTSA-N 2 1 287.451 2.016 20 0 CEADMP Cc1ccc(C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)C)cc1 ZINC000305144966 292108609 /nfs/dbraw/zinc/10/86/09/292108609.db2.gz RLHFOCNAPVGBSH-DLBZAZTESA-N 2 1 278.440 2.074 20 0 CEADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000335560231 400352643 /nfs/dbraw/zinc/35/26/43/400352643.db2.gz ACGRKJKEYPNPQL-UONOGXRCSA-N 2 1 296.361 2.215 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000335560394 400352724 /nfs/dbraw/zinc/35/27/24/400352724.db2.gz CDOLFJHXEYWVQR-CJNGLKHVSA-N 2 1 289.423 2.119 20 0 CEADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000386391120 400527296 /nfs/dbraw/zinc/52/72/96/400527296.db2.gz UBMOVLQBLJEJDN-GXTWGEPZSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000386391120 400527302 /nfs/dbraw/zinc/52/73/02/400527302.db2.gz UBMOVLQBLJEJDN-GXTWGEPZSA-N 2 1 256.434 2.246 20 0 CEADMP C[N@@H+](CCC1CCCCCC1)CCN1CC[NH2+]CC1 ZINC000394550271 400550045 /nfs/dbraw/zinc/55/00/45/400550045.db2.gz AEAXMYRSJPMSDF-UHFFFAOYSA-N 2 1 267.461 2.184 20 0 CEADMP CC1(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000650707476 400998438 /nfs/dbraw/zinc/99/84/38/400998438.db2.gz GZRYYNRNCAVJBW-IHRRRGAJSA-N 2 1 252.402 2.005 20 0 CEADMP Cn1cnc2cc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)ccc21 ZINC000650709145 401000315 /nfs/dbraw/zinc/00/03/15/401000315.db2.gz FZBCXQGCTHQCEW-YOEHRIQHSA-N 2 1 284.407 2.134 20 0 CEADMP CCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000650709188 401000517 /nfs/dbraw/zinc/00/05/17/401000517.db2.gz IPGUAYHHEKXPIF-FZMZJTMJSA-N 2 1 265.426 2.266 20 0 CEADMP CCc1ncc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000650709188 401000521 /nfs/dbraw/zinc/00/05/21/401000521.db2.gz IPGUAYHHEKXPIF-FZMZJTMJSA-N 2 1 265.426 2.266 20 0 CEADMP CCO[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000650714675 401004767 /nfs/dbraw/zinc/00/47/67/401004767.db2.gz XXGDRMZCXOGAAW-YMBFEGSUSA-N 2 1 278.371 2.135 20 0 CEADMP CCO[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000650714675 401004768 /nfs/dbraw/zinc/00/47/68/401004768.db2.gz XXGDRMZCXOGAAW-YMBFEGSUSA-N 2 1 278.371 2.135 20 0 CEADMP [NH3+]Cc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000650754109 401031551 /nfs/dbraw/zinc/03/15/51/401031551.db2.gz BIPZQTUJMZEIHS-HUUCEWRRSA-N 2 1 277.387 2.001 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4c3CCC4)C[C@@H]2C1 ZINC000651788180 401391965 /nfs/dbraw/zinc/39/19/65/401391965.db2.gz WULVGMZRMVHQKM-IYBDPMFKSA-N 2 1 256.393 2.169 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4c3CCC4)C[C@@H]2C1 ZINC000651788180 401391966 /nfs/dbraw/zinc/39/19/66/401391966.db2.gz WULVGMZRMVHQKM-IYBDPMFKSA-N 2 1 256.393 2.169 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc4c3CCC4)C[C@@H]2C1 ZINC000651788180 401391968 /nfs/dbraw/zinc/39/19/68/401391968.db2.gz WULVGMZRMVHQKM-IYBDPMFKSA-N 2 1 256.393 2.169 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000651865264 401405730 /nfs/dbraw/zinc/40/57/30/401405730.db2.gz SCTMLMYUCZHCKZ-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000652222004 401466806 /nfs/dbraw/zinc/46/68/06/401466806.db2.gz CHJDQBULLVSKMO-OAHLLOKOSA-N 3 1 269.477 2.284 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)COC)[C@@H](C)C1 ZINC000122337789 286063663 /nfs/dbraw/zinc/06/36/63/286063663.db2.gz WFHPWBKNXNEIRZ-JYJNAYRXSA-N 2 1 286.460 2.138 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](CO)CCF ZINC000652306120 401483733 /nfs/dbraw/zinc/48/37/33/401483733.db2.gz OOZHZJVXAIKKMM-HYVNUMGLSA-N 2 1 294.414 2.207 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](CO)CCF ZINC000652306120 401483734 /nfs/dbraw/zinc/48/37/34/401483734.db2.gz OOZHZJVXAIKKMM-HYVNUMGLSA-N 2 1 294.414 2.207 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CCCCO1)C2 ZINC000652352642 401492102 /nfs/dbraw/zinc/49/21/02/401492102.db2.gz HXPLTLGFQFMKJS-KKUMJFAQSA-N 2 1 252.402 2.006 20 0 CEADMP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H]1CCCOC1 ZINC000652358587 401494138 /nfs/dbraw/zinc/49/41/38/401494138.db2.gz UVOMTRWLOUVAJK-JKSUJKDBSA-N 2 1 292.423 2.238 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000162418363 286171621 /nfs/dbraw/zinc/17/16/21/286171621.db2.gz GOPNHFZQPWSINS-GOEBONIOSA-N 2 1 266.429 2.406 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000311154718 289278876 /nfs/dbraw/zinc/27/88/76/289278876.db2.gz OBVXKBOPHODARN-CQSZACIVSA-N 2 1 256.434 2.057 20 0 CEADMP COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000360541852 155324933 /nfs/dbraw/zinc/32/49/33/155324933.db2.gz HRIFHBGTBAQLQT-UKRRQHHQSA-N 2 1 293.411 2.245 20 0 CEADMP COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000360541852 155324934 /nfs/dbraw/zinc/32/49/34/155324934.db2.gz HRIFHBGTBAQLQT-UKRRQHHQSA-N 2 1 293.411 2.245 20 0 CEADMP COc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000355044279 286304262 /nfs/dbraw/zinc/30/42/62/286304262.db2.gz BUMFHPANMOILGV-UHFFFAOYSA-N 2 1 275.396 2.150 20 0 CEADMP Cn1nccc1CN1C[C@@H]2[C@H](c3ccccc3)[N@H+](C)C[C@@H]2C1 ZINC000360790104 155374061 /nfs/dbraw/zinc/37/40/61/155374061.db2.gz ARPXZETUGPDNGI-NJAFHUGGSA-N 2 1 296.418 2.155 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC3(CCC3)C2)CC1 ZINC000192757537 153220782 /nfs/dbraw/zinc/22/07/82/153220782.db2.gz YEHLQXLJLWKSEU-UHFFFAOYSA-N 2 1 279.472 2.279 20 0 CEADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000194590102 153262341 /nfs/dbraw/zinc/26/23/41/153262341.db2.gz PKQHATDSBDGTRQ-GJZGRUSLSA-N 2 1 275.396 2.367 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)c3ccccc3F)CC[C@@H]21 ZINC000221834546 153312645 /nfs/dbraw/zinc/31/26/45/153312645.db2.gz AFWFRFVOXFQUIS-XOKHGSTOSA-N 2 1 292.398 2.275 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccccc3F)CC[C@@H]21 ZINC000221834546 153312647 /nfs/dbraw/zinc/31/26/47/153312647.db2.gz AFWFRFVOXFQUIS-XOKHGSTOSA-N 2 1 292.398 2.275 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccccc3F)CC[C@@H]21 ZINC000221834546 153312650 /nfs/dbraw/zinc/31/26/50/153312650.db2.gz AFWFRFVOXFQUIS-XOKHGSTOSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3F)CC[C@@H]21 ZINC000221834546 153312651 /nfs/dbraw/zinc/31/26/51/153312651.db2.gz AFWFRFVOXFQUIS-XOKHGSTOSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3F)CC[C@@H]21 ZINC000221834546 153312653 /nfs/dbraw/zinc/31/26/53/153312653.db2.gz AFWFRFVOXFQUIS-XOKHGSTOSA-N 2 1 292.398 2.275 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cncc(F)c1 ZINC000224114433 153321766 /nfs/dbraw/zinc/32/17/66/153321766.db2.gz PHQGBQHTBKZQOM-COPLHBTASA-N 2 1 251.349 2.354 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cncc(F)c1 ZINC000224114433 153321771 /nfs/dbraw/zinc/32/17/71/153321771.db2.gz PHQGBQHTBKZQOM-COPLHBTASA-N 2 1 251.349 2.354 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNCc1cc(OC)cc(C)n1 ZINC000225909118 153333491 /nfs/dbraw/zinc/33/34/91/153333491.db2.gz OHGGMCYDHSHOMU-CYBMUJFWSA-N 2 1 265.401 2.219 20 0 CEADMP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000228068818 153355732 /nfs/dbraw/zinc/35/57/32/153355732.db2.gz AXYWYOCIWCQCIN-HOTGVXAUSA-N 2 1 290.451 2.443 20 0 CEADMP Fc1cc(C[NH2+]CCC[NH2+]C2CC2)cc(F)c1F ZINC000228410228 153362113 /nfs/dbraw/zinc/36/21/13/153362113.db2.gz WJZBNSKMEQLNBK-UHFFFAOYSA-N 2 1 258.287 2.336 20 0 CEADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]CC(C)C)cc1 ZINC000414876437 286378758 /nfs/dbraw/zinc/37/87/58/286378758.db2.gz DLZWEPOUNXZHNI-CVEARBPZSA-N 2 1 262.397 2.386 20 0 CEADMP Cc1nc(C)c(C[N@H+](C)CCCN(C)CC[NH+](C)C)s1 ZINC000344009525 154266762 /nfs/dbraw/zinc/26/67/62/154266762.db2.gz AYZLRSGYNLXEDW-UHFFFAOYSA-N 2 1 298.500 2.075 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000347086668 154301716 /nfs/dbraw/zinc/30/17/16/154301716.db2.gz DZKCZJBUALJPEV-ZDUSSCGKSA-N 2 1 270.380 2.247 20 0 CEADMP CCOCCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352770245 154333042 /nfs/dbraw/zinc/33/30/42/154333042.db2.gz KCFCEAHEKYPCGB-UHFFFAOYSA-N 2 1 271.430 2.111 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352732923 154333492 /nfs/dbraw/zinc/33/34/92/154333492.db2.gz ADUMAPVEVAYTBW-NEPJUHHUSA-N 2 1 283.441 2.109 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357071033 154371245 /nfs/dbraw/zinc/37/12/45/154371245.db2.gz GGMUUUWXBJGUMQ-BXUZGUMPSA-N 2 1 290.411 2.330 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357084522 154378660 /nfs/dbraw/zinc/37/86/60/154378660.db2.gz QRBRPNMSQIFJHY-JKSUJKDBSA-N 2 1 274.408 2.169 20 0 CEADMP CC(C)COc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000359452876 155020936 /nfs/dbraw/zinc/02/09/36/155020936.db2.gz BNENDWZYOARZCQ-HZPDHXFCSA-N 2 1 274.408 2.373 20 0 CEADMP COc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000359610393 155075232 /nfs/dbraw/zinc/07/52/32/155075232.db2.gz ZTTKZJLENFMVKJ-UKRRQHHQSA-N 2 1 262.397 2.168 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000359684274 155109481 /nfs/dbraw/zinc/10/94/81/155109481.db2.gz ZMVIIRYAIDSURM-CRAIPNDOSA-N 2 1 298.434 2.361 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000359684275 155112151 /nfs/dbraw/zinc/11/21/51/155112151.db2.gz ZMVIIRYAIDSURM-MAUKXSAKSA-N 2 1 298.434 2.361 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000359781636 155128567 /nfs/dbraw/zinc/12/85/67/155128567.db2.gz FHVVENUFWKDWNN-KBPBESRZSA-N 2 1 285.476 2.390 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000361893724 155701214 /nfs/dbraw/zinc/70/12/14/155701214.db2.gz LDTUWUNTUWDRAU-BZUAXINKSA-N 2 1 277.412 2.376 20 0 CEADMP CCOCC[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362106205 155757404 /nfs/dbraw/zinc/75/74/04/155757404.db2.gz NEBFQPUITNOSGZ-AWEZNQCLSA-N 2 1 266.429 2.219 20 0 CEADMP CNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000363585049 156034602 /nfs/dbraw/zinc/03/46/02/156034602.db2.gz GFOAKUBDSSFILV-DGCLKSJQSA-N 2 1 280.803 2.077 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1[NH+](C)CCCC1(C)C)C2 ZINC000363992316 156061124 /nfs/dbraw/zinc/06/11/24/156061124.db2.gz FRXAESGTPQEVHB-UYTSQGDYSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1[N@H+](C)CCCC1(C)C)C2 ZINC000363992316 156061125 /nfs/dbraw/zinc/06/11/25/156061125.db2.gz FRXAESGTPQEVHB-UYTSQGDYSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1[N@@H+](C)CCCC1(C)C)C2 ZINC000363992316 156061128 /nfs/dbraw/zinc/06/11/28/156061128.db2.gz FRXAESGTPQEVHB-UYTSQGDYSA-N 2 1 279.472 2.322 20 0 CEADMP CN1CCCC(C)(C)[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000363992316 156061131 /nfs/dbraw/zinc/06/11/31/156061131.db2.gz FRXAESGTPQEVHB-UYTSQGDYSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@@H+](C[C@H]1CC12CC[NH+](CCn1cccn1)CC2)C1CC1 ZINC000367308887 156168065 /nfs/dbraw/zinc/16/80/65/156168065.db2.gz FUAOLUCSQSWWNB-OAHLLOKOSA-N 2 1 288.439 2.079 20 0 CEADMP C[C@H]1CCC[N@@H+]1C1CC[NH+](CCCn2ccnc2)CC1 ZINC000367590448 156209808 /nfs/dbraw/zinc/20/98/08/156209808.db2.gz RVNXCJANVKGWIP-HNNXBMFYSA-N 2 1 276.428 2.222 20 0 CEADMP C[C@H]1CCC[N@H+]1C1CC[NH+](CCCn2ccnc2)CC1 ZINC000367590448 156209811 /nfs/dbraw/zinc/20/98/11/156209811.db2.gz RVNXCJANVKGWIP-HNNXBMFYSA-N 2 1 276.428 2.222 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(CO)c2)[C@H]2CCC[C@H]21 ZINC000367609840 156212723 /nfs/dbraw/zinc/21/27/23/156212723.db2.gz XYOUQOOGODSUQY-IXDOHACOSA-N 2 1 274.408 2.141 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOCC2CC2)[C@H]2CCC[C@@H]21 ZINC000367619510 156217971 /nfs/dbraw/zinc/21/79/71/156217971.db2.gz WTFMNIZDLHFWMQ-PMPSAXMXSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CCCc2n[nH]cc21)C[NH+]1CCCCC1 ZINC000367625492 156218225 /nfs/dbraw/zinc/21/82/25/156218225.db2.gz YIYUDNCRYDNMML-ZFWWWQNUSA-N 2 1 276.428 2.499 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccn2)[C@@H]2CCC[C@H]21 ZINC000367618932 156219652 /nfs/dbraw/zinc/21/96/52/156219652.db2.gz ULOVLBOAPVPUCP-HRCADAONSA-N 2 1 259.397 2.087 20 0 CEADMP C[N@H+](Cc1ccon1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367884672 156250520 /nfs/dbraw/zinc/25/05/20/156250520.db2.gz HMZKRKJQUJQUAG-UHFFFAOYSA-N 2 1 286.379 2.418 20 0 CEADMP C[N@@H+](CCCCCO)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367888289 156252750 /nfs/dbraw/zinc/25/27/50/156252750.db2.gz XKMBEWZURNLWOE-UHFFFAOYSA-N 2 1 291.439 2.392 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(F)c2)[C@@H]2CCC[C@H]21 ZINC000368607794 156371890 /nfs/dbraw/zinc/37/18/90/156371890.db2.gz IXHQLXPXXRWILT-NXOAAHMSSA-N 2 1 292.398 2.322 20 0 CEADMP Cn1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000374835874 157021047 /nfs/dbraw/zinc/02/10/47/157021047.db2.gz LYJYIJKGKWNWMK-UHFFFAOYSA-N 2 1 299.422 2.164 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000168631394 162366467 /nfs/dbraw/zinc/36/64/67/162366467.db2.gz CNSFNIZVPGUYPJ-ZFWWWQNUSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000168631394 162366470 /nfs/dbraw/zinc/36/64/70/162366470.db2.gz CNSFNIZVPGUYPJ-ZFWWWQNUSA-N 2 1 270.380 2.041 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC000347020626 287007383 /nfs/dbraw/zinc/00/73/83/287007383.db2.gz USWMKSPCSOFEAL-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cncs1 ZINC000361356314 287022789 /nfs/dbraw/zinc/02/27/89/287022789.db2.gz LWJWEDHJPBLLSR-OLZOCXBDSA-N 2 1 283.441 2.031 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000169195645 165036037 /nfs/dbraw/zinc/03/60/37/165036037.db2.gz WBDDLKOHOGHBHW-STQMWFEESA-N 2 1 266.360 2.264 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000175720722 165144580 /nfs/dbraw/zinc/14/45/80/165144580.db2.gz DJDWFWKWTCETBT-WBMJQRKESA-N 2 1 278.444 2.199 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000175720722 165144583 /nfs/dbraw/zinc/14/45/83/165144583.db2.gz DJDWFWKWTCETBT-WBMJQRKESA-N 2 1 278.444 2.199 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000175720722 165144586 /nfs/dbraw/zinc/14/45/86/165144586.db2.gz DJDWFWKWTCETBT-WBMJQRKESA-N 2 1 278.444 2.199 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000175720722 165144588 /nfs/dbraw/zinc/14/45/88/165144588.db2.gz DJDWFWKWTCETBT-WBMJQRKESA-N 2 1 278.444 2.199 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CC1 ZINC000177233292 165190779 /nfs/dbraw/zinc/19/07/79/165190779.db2.gz KHPCYRLTUBSPDN-HNNXBMFYSA-N 2 1 287.451 2.322 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(c2nccs2)CC1 ZINC000178443589 165241234 /nfs/dbraw/zinc/24/12/34/165241234.db2.gz IROUKYHOTNGMKV-AWEZNQCLSA-N 2 1 294.468 2.140 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(c2nccs2)CC1 ZINC000178443589 165241236 /nfs/dbraw/zinc/24/12/36/165241236.db2.gz IROUKYHOTNGMKV-AWEZNQCLSA-N 2 1 294.468 2.140 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(c2nccs2)CC1 ZINC000178443589 165241237 /nfs/dbraw/zinc/24/12/37/165241237.db2.gz IROUKYHOTNGMKV-AWEZNQCLSA-N 2 1 294.468 2.140 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(c2nccs2)CC1 ZINC000178443589 165241239 /nfs/dbraw/zinc/24/12/39/165241239.db2.gz IROUKYHOTNGMKV-AWEZNQCLSA-N 2 1 294.468 2.140 20 0 CEADMP COCCC[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178704845 165257660 /nfs/dbraw/zinc/25/76/60/165257660.db2.gz IJEDNEHZDFHGQD-CHWSQXEVSA-N 2 1 253.390 2.232 20 0 CEADMP Cc1cnn([C@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000179269584 165274550 /nfs/dbraw/zinc/27/45/50/165274550.db2.gz BPUMTRNDKAZGBY-INIZCTEOSA-N 2 1 276.428 2.314 20 0 CEADMP Cc1cnn([C@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000179269584 165274554 /nfs/dbraw/zinc/27/45/54/165274554.db2.gz BPUMTRNDKAZGBY-INIZCTEOSA-N 2 1 276.428 2.314 20 0 CEADMP Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181628707 165351692 /nfs/dbraw/zinc/35/16/92/165351692.db2.gz VMSFSHXIGPLEET-MISXGVKJSA-N 2 1 265.401 2.467 20 0 CEADMP CC[C@@H](C)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182190828 165366571 /nfs/dbraw/zinc/36/65/71/165366571.db2.gz ZAWPQFPWJBGWAN-CVEARBPZSA-N 2 1 267.461 2.134 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182190828 165366573 /nfs/dbraw/zinc/36/65/73/165366573.db2.gz ZAWPQFPWJBGWAN-CVEARBPZSA-N 2 1 267.461 2.134 20 0 CEADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000182541473 165375152 /nfs/dbraw/zinc/37/51/52/165375152.db2.gz JTOXBDQGPZCDAI-QWHCGFSZSA-N 2 1 282.428 2.181 20 0 CEADMP C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000183139243 165386392 /nfs/dbraw/zinc/38/63/92/165386392.db2.gz XSFIIIMYCIIQIT-BBWFWOEESA-N 2 1 281.488 2.428 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000284207922 196004197 /nfs/dbraw/zinc/00/41/97/196004197.db2.gz AGEMQZIBVWNOOS-ZBFHGGJFSA-N 2 1 262.397 2.258 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000377560756 287266602 /nfs/dbraw/zinc/26/66/02/287266602.db2.gz FYFPYDZVTRQHCD-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc2occc2c1 ZINC000285453023 196288326 /nfs/dbraw/zinc/28/83/26/196288326.db2.gz MKBFOPNYBKBMOJ-UHFFFAOYSA-N 2 1 276.380 2.491 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1-n1ccnn1 ZINC000285456592 196290361 /nfs/dbraw/zinc/29/03/61/196290361.db2.gz ABZQZCNIRXDMED-CYBMUJFWSA-N 2 1 285.395 2.012 20 0 CEADMP OCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000285611632 196343240 /nfs/dbraw/zinc/34/32/40/196343240.db2.gz KGTJWSMDNJAASQ-OKZBNKHCSA-N 2 1 288.435 2.259 20 0 CEADMP CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000037241135 173057468 /nfs/dbraw/zinc/05/74/68/173057468.db2.gz OYZDJMHOHDTQNO-UHFFFAOYSA-N 2 1 250.361 2.442 20 0 CEADMP CCC[N@@H+](Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC000037539122 173260170 /nfs/dbraw/zinc/26/01/70/173260170.db2.gz QIMLNYDWXOABLF-UHFFFAOYSA-N 2 1 290.407 2.437 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000040667160 174366914 /nfs/dbraw/zinc/36/69/14/174366914.db2.gz UJKFATNYZFCCBG-DYEKYZERSA-N 2 1 276.380 2.234 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000040667160 174366916 /nfs/dbraw/zinc/36/69/16/174366916.db2.gz UJKFATNYZFCCBG-DYEKYZERSA-N 2 1 276.380 2.234 20 0 CEADMP CCCCN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401028022 414750347 /nfs/dbraw/zinc/75/03/47/414750347.db2.gz OLBFJGVQFDWMIS-BFYDXBDKSA-N 2 1 279.472 2.229 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000062337137 414760892 /nfs/dbraw/zinc/76/08/92/414760892.db2.gz GYPFZSNREGGYKG-JSGCOSHPSA-N 2 1 265.426 2.416 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000062337137 414760899 /nfs/dbraw/zinc/76/08/99/414760899.db2.gz GYPFZSNREGGYKG-JSGCOSHPSA-N 2 1 265.426 2.416 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CC1CCCC1)C1CC1 ZINC000653892613 414777865 /nfs/dbraw/zinc/77/78/65/414777865.db2.gz KWJLENYMJKQVBR-IAGOWNOFSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CC1CCCC1)C1CC1 ZINC000653892613 414777869 /nfs/dbraw/zinc/77/78/69/414777869.db2.gz KWJLENYMJKQVBR-IAGOWNOFSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1CC1CCCC1)C1CC1 ZINC000653892613 414777873 /nfs/dbraw/zinc/77/78/73/414777873.db2.gz KWJLENYMJKQVBR-IAGOWNOFSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1CC1CCCC1)C1CC1 ZINC000653892613 414777880 /nfs/dbraw/zinc/77/78/80/414777880.db2.gz KWJLENYMJKQVBR-IAGOWNOFSA-N 2 1 280.456 2.486 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)[C@H]1CC[NH3+] ZINC000404271832 414778640 /nfs/dbraw/zinc/77/86/40/414778640.db2.gz LCVALVCIUPIKRO-HIFRSBDPSA-N 2 1 290.407 2.407 20 0 CEADMP CC1CCC(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])CC1 ZINC000404359314 414781614 /nfs/dbraw/zinc/78/16/14/414781614.db2.gz NEZKHKSQLQNCRL-GRAKBVBRSA-N 2 1 295.471 2.131 20 0 CEADMP CC1CCC(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])CC1 ZINC000404359314 414781620 /nfs/dbraw/zinc/78/16/20/414781620.db2.gz NEZKHKSQLQNCRL-GRAKBVBRSA-N 2 1 295.471 2.131 20 0 CEADMP CC[C@@]1(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCC[NH2+]1 ZINC000662878114 414785092 /nfs/dbraw/zinc/78/50/92/414785092.db2.gz NUQYTSXSEMTTCR-PBHICJAKSA-N 2 1 293.455 2.042 20 0 CEADMP Cc1ccc(OCCC[N@@H+](C)CCC[NH3+])cc1C ZINC000123343653 414793655 /nfs/dbraw/zinc/79/36/55/414793655.db2.gz IQKUUTZQTPOJNK-UHFFFAOYSA-N 2 1 250.386 2.353 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000405212914 414794829 /nfs/dbraw/zinc/79/48/29/414794829.db2.gz IVCWTBCAOOTTKT-UKRRQHHQSA-N 2 1 264.417 2.413 20 0 CEADMP CC(C)[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1CCC1 ZINC000660422520 414813831 /nfs/dbraw/zinc/81/38/31/414813831.db2.gz DYWQIGNUGFFTCC-OAHLLOKOSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CC1CCC1)C(C)C ZINC000660422520 414813836 /nfs/dbraw/zinc/81/38/36/414813836.db2.gz DYWQIGNUGFFTCC-OAHLLOKOSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CC1CCC1)C(C)C ZINC000660422520 414813841 /nfs/dbraw/zinc/81/38/41/414813841.db2.gz DYWQIGNUGFFTCC-OAHLLOKOSA-N 2 1 256.434 2.198 20 0 CEADMP C[C@H](CNCc1cnc2n1CCC2)[N@H+]1CCCC[C@H]1C ZINC000657307518 414849590 /nfs/dbraw/zinc/84/95/90/414849590.db2.gz HLZFZXXIOVHFIJ-ZIAGYGMSSA-N 2 1 276.428 2.182 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657310820 414852877 /nfs/dbraw/zinc/85/28/77/414852877.db2.gz GDDXZEGUWANHDL-OAHLLOKOSA-N 2 1 290.455 2.431 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2c(C)nn(CC)c2C)CC[C@@H]1[NH3+] ZINC000307977263 414853535 /nfs/dbraw/zinc/85/35/35/414853535.db2.gz XWHGNFJJISGGIW-HIFRSBDPSA-N 2 1 264.417 2.079 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2c(C)nn(CC)c2C)CC[C@@H]1[NH3+] ZINC000307977263 414853539 /nfs/dbraw/zinc/85/35/39/414853539.db2.gz XWHGNFJJISGGIW-HIFRSBDPSA-N 2 1 264.417 2.079 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)C1CCCCC1 ZINC000310920985 414857903 /nfs/dbraw/zinc/85/79/03/414857903.db2.gz CLVDYPCDIPNWOY-UKRRQHHQSA-N 2 1 256.434 2.246 20 0 CEADMP Cc1ccc2cc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)[nH]c2c1 ZINC000657325062 414860246 /nfs/dbraw/zinc/86/02/46/414860246.db2.gz FZCVOUBATHUJAV-MRXNPFEDSA-N 2 1 287.407 2.023 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000311453174 414861290 /nfs/dbraw/zinc/86/12/90/414861290.db2.gz JUYZXHTXSIKMBO-CABCVRRESA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000311453174 414861294 /nfs/dbraw/zinc/86/12/94/414861294.db2.gz JUYZXHTXSIKMBO-CABCVRRESA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000311453174 414861298 /nfs/dbraw/zinc/86/12/98/414861298.db2.gz JUYZXHTXSIKMBO-CABCVRRESA-N 2 1 270.461 2.447 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000653110011 414909508 /nfs/dbraw/zinc/90/95/08/414909508.db2.gz UWHRBDLGDDGMAY-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCCN(CCC(F)(F)F)C2 ZINC000660658868 414921134 /nfs/dbraw/zinc/92/11/34/414921134.db2.gz KTWYUXIXZVESSF-LLVKDONJSA-N 2 1 250.308 2.357 20 0 CEADMP C([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCSC1 ZINC000663344432 414921803 /nfs/dbraw/zinc/92/18/03/414921803.db2.gz TWNPOKCZQQAZQG-CABCVRRESA-N 2 1 268.470 2.451 20 0 CEADMP c1cncc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347897 414923291 /nfs/dbraw/zinc/92/32/91/414923291.db2.gz ZKLSYQCYBVMBCB-INIZCTEOSA-N 2 1 259.397 2.293 20 0 CEADMP c1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347897 414923298 /nfs/dbraw/zinc/92/32/98/414923298.db2.gz ZKLSYQCYBVMBCB-INIZCTEOSA-N 2 1 259.397 2.293 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)Cc1ccccc1)C2 ZINC000660663007 414924739 /nfs/dbraw/zinc/92/47/39/414924739.db2.gz MKWDXKLVKIYCNQ-ZWKOTPCHSA-N 2 1 288.435 2.008 20 0 CEADMP COc1cncc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660665164 414928333 /nfs/dbraw/zinc/92/83/33/414928333.db2.gz VAJBWBIPZAKXQZ-INIZCTEOSA-N 2 1 275.396 2.008 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000653176166 414937102 /nfs/dbraw/zinc/93/71/02/414937102.db2.gz LTCALPXXEQDZRW-OAHLLOKOSA-N 2 1 297.487 2.106 20 0 CEADMP C[N@@H+](CCNCc1ccnn1-c1cc[nH+]cc1)C1CCCC1 ZINC000657349237 414877527 /nfs/dbraw/zinc/87/75/27/414877527.db2.gz GNCNVDPBYWAWPQ-UHFFFAOYSA-N 2 1 299.422 2.231 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)C1CCCC1 ZINC000660616127 414900679 /nfs/dbraw/zinc/90/06/79/414900679.db2.gz GZJUIGCXJPPIJN-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)C1CCCC1 ZINC000660616127 414900683 /nfs/dbraw/zinc/90/06/83/414900683.db2.gz GZJUIGCXJPPIJN-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)C1CCCC1 ZINC000660616127 414900685 /nfs/dbraw/zinc/90/06/85/414900685.db2.gz GZJUIGCXJPPIJN-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)CO1 ZINC000657384855 414901880 /nfs/dbraw/zinc/90/18/80/414901880.db2.gz RJFHBKZMIBSAKK-HZPDHXFCSA-N 2 1 284.444 2.033 20 0 CEADMP CC(C)[C@H]([NH3+])CCN[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000663503399 414972956 /nfs/dbraw/zinc/97/29/56/414972956.db2.gz RAOKRZSOPBZEEX-NXHRZFHOSA-N 2 1 289.467 2.470 20 0 CEADMP CC(C)[C@H]([NH3+])CCN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000663503399 414972962 /nfs/dbraw/zinc/97/29/62/414972962.db2.gz RAOKRZSOPBZEEX-NXHRZFHOSA-N 2 1 289.467 2.470 20 0 CEADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CCCC3)cc2)C1 ZINC000657596860 415017916 /nfs/dbraw/zinc/01/79/16/415017916.db2.gz ZUXTVBPDBNWHDP-KRWDZBQOSA-N 2 1 274.408 2.285 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@H]([NH3+])C1CCC1)C1CCCCC1 ZINC000653200445 414944813 /nfs/dbraw/zinc/94/48/13/414944813.db2.gz FFDCYPVJONOUNR-MRXNPFEDSA-N 2 1 295.471 2.275 20 0 CEADMP CC[N@@H+](CCCNC(=O)CC1([NH3+])CCC1)C1CCCCC1 ZINC000653200698 414944961 /nfs/dbraw/zinc/94/49/61/414944961.db2.gz MPMQOUIUJIAKHA-UHFFFAOYSA-N 2 1 295.471 2.419 20 0 CEADMP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463611 414961033 /nfs/dbraw/zinc/96/10/33/414961033.db2.gz AJRAILCLZVVQGN-LSDHHAIUSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H](C(=O)NCC[NH+]1CCCC1(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000654535540 414962067 /nfs/dbraw/zinc/96/20/67/414962067.db2.gz LGUYTRZODDUPSX-QLFBSQMISA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H](C(=O)NCC[N@@H+]1CCCC1(C)C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000654535540 414962072 /nfs/dbraw/zinc/96/20/72/414962072.db2.gz LGUYTRZODDUPSX-QLFBSQMISA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H](C(=O)NCC[N@H+]1CCCC1(C)C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000654535540 414962077 /nfs/dbraw/zinc/96/20/77/414962077.db2.gz LGUYTRZODDUPSX-QLFBSQMISA-N 2 1 295.471 2.238 20 0 CEADMP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cs1 ZINC000657752834 415068637 /nfs/dbraw/zinc/06/86/37/415068637.db2.gz SJEOYNNHQVXVCG-HNNXBMFYSA-N 2 1 280.437 2.399 20 0 CEADMP Cc1cc(CO)cc(NC[C@H]2CCCC[N@H+]2C2CC2)n1 ZINC000663844612 415068976 /nfs/dbraw/zinc/06/89/76/415068976.db2.gz NQLDBMYLGGPCMW-OAHLLOKOSA-N 2 1 275.396 2.311 20 0 CEADMP OC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC(F)(F)CC1 ZINC000657778687 415077238 /nfs/dbraw/zinc/07/72/38/415077238.db2.gz ULGKUKJLUBHARZ-QWHCGFSZSA-N 2 1 288.382 2.143 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CC(CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000657810323 415090474 /nfs/dbraw/zinc/09/04/74/415090474.db2.gz AQOMZRISXVPILC-VNCIIQTRSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CC(CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000657810323 415090480 /nfs/dbraw/zinc/09/04/80/415090480.db2.gz AQOMZRISXVPILC-VNCIIQTRSA-N 2 1 288.435 2.400 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1Cc2sccc2CC1(C)C ZINC000653756633 415092937 /nfs/dbraw/zinc/09/29/37/415092937.db2.gz RHLCYWAOGHVXJU-CYBMUJFWSA-N 2 1 282.453 2.197 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+]1Cc2sccc2CC1(C)C ZINC000653756633 415092939 /nfs/dbraw/zinc/09/29/39/415092939.db2.gz RHLCYWAOGHVXJU-CYBMUJFWSA-N 2 1 282.453 2.197 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+]1Cc2sccc2CC1(C)C ZINC000653756633 415092943 /nfs/dbraw/zinc/09/29/43/415092943.db2.gz RHLCYWAOGHVXJU-CYBMUJFWSA-N 2 1 282.453 2.197 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)CC1 ZINC000657654553 415038288 /nfs/dbraw/zinc/03/82/88/415038288.db2.gz KJFYDGMVAKXQKO-RDJZCZTQSA-N 2 1 274.408 2.243 20 0 CEADMP Cn1cncc1CCC[N@@H+](C)CCOC(C)(C)C ZINC000653571649 415039174 /nfs/dbraw/zinc/03/91/74/415039174.db2.gz WEJCAORPUXBFEU-UHFFFAOYSA-N 2 1 253.390 2.100 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)CCOC(C)(C)C ZINC000653571649 415039177 /nfs/dbraw/zinc/03/91/77/415039177.db2.gz WEJCAORPUXBFEU-UHFFFAOYSA-N 2 1 253.390 2.100 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCOC(C)(C)C ZINC000653571649 415039180 /nfs/dbraw/zinc/03/91/80/415039180.db2.gz WEJCAORPUXBFEU-UHFFFAOYSA-N 2 1 253.390 2.100 20 0 CEADMP CC[N@H+]1C[C@H](C)N(c2[nH+]ccc3[nH]ccc32)C[C@H]1C ZINC000663759956 415039867 /nfs/dbraw/zinc/03/98/67/415039867.db2.gz OSXQIKTWMGHNCW-NEPJUHHUSA-N 2 1 258.369 2.482 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2(OC)CCC2)C1 ZINC000657845300 415102586 /nfs/dbraw/zinc/10/25/86/415102586.db2.gz MWTWGTBZVPSCQA-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000657875618 415110553 /nfs/dbraw/zinc/11/05/53/415110553.db2.gz MWJFUBFIULUNAT-RDTXWAMCSA-N 2 1 290.451 2.009 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657873433 415110781 /nfs/dbraw/zinc/11/07/81/415110781.db2.gz SZVJLFXYNMWEKF-LSDHHAIUSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C(C)(C)C(F)F ZINC000657883375 415111715 /nfs/dbraw/zinc/11/17/15/415111715.db2.gz RKWSAIZEWWDJOF-LLVKDONJSA-N 2 1 278.387 2.367 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCc2noc3ccccc32)CC[N@H+]1C ZINC000658065021 415187334 /nfs/dbraw/zinc/18/73/34/415187334.db2.gz KYDUVBWHUMOMIV-QWHCGFSZSA-N 2 1 273.380 2.443 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000044494554 175182241 /nfs/dbraw/zinc/18/22/41/175182241.db2.gz BBRCCYXFCUVZKU-KBPBESRZSA-N 2 1 264.417 2.335 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000044494554 175182243 /nfs/dbraw/zinc/18/22/43/175182243.db2.gz BBRCCYXFCUVZKU-KBPBESRZSA-N 2 1 264.417 2.335 20 0 CEADMP CCCc1nc(C[NH+]2CCC(C[NH3+])CC2)cs1 ZINC000044513466 175189014 /nfs/dbraw/zinc/18/90/14/175189014.db2.gz DCZWZFIKMYPNAB-UHFFFAOYSA-N 2 1 253.415 2.266 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000044530548 175195482 /nfs/dbraw/zinc/19/54/82/175195482.db2.gz KLDJRKCOUBDDLX-HNNXBMFYSA-N 2 1 270.380 2.043 20 0 CEADMP Cc1nc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)sc1C ZINC000664197417 415220273 /nfs/dbraw/zinc/22/02/73/415220273.db2.gz WJPXDWYLUGXICC-NSHDSACASA-N 2 1 284.473 2.444 20 0 CEADMP Cc1nc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)sc1C ZINC000664197417 415220278 /nfs/dbraw/zinc/22/02/78/415220278.db2.gz WJPXDWYLUGXICC-NSHDSACASA-N 2 1 284.473 2.444 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[C@@H]1C ZINC000658134475 415225436 /nfs/dbraw/zinc/22/54/36/415225436.db2.gz ABHKAYAQYBHNEW-KNCCTNLNSA-N 2 1 288.435 2.387 20 0 CEADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000658313169 415312577 /nfs/dbraw/zinc/31/25/77/415312577.db2.gz CGJWTTJCSYFDMV-WTXIUTQJSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H](O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658348209 415329007 /nfs/dbraw/zinc/32/90/07/415329007.db2.gz NASJJVRGNDRAKN-HJWJTTGWSA-N 2 1 274.408 2.010 20 0 CEADMP CC(C)COCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655698318 415394015 /nfs/dbraw/zinc/39/40/15/415394015.db2.gz UKAXUTFVZKSNIZ-QGZVFWFLSA-N 2 1 298.471 2.282 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCC1 ZINC000655701098 415398536 /nfs/dbraw/zinc/39/85/36/415398536.db2.gz SNGXHAJKXHHVIU-HNNXBMFYSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@H](C[C@H](C)CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655717290 415408161 /nfs/dbraw/zinc/40/81/61/415408161.db2.gz AFWIWVCNJIDVHS-ZMSDIMECSA-N 2 1 298.471 2.017 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCCS1 ZINC000655723557 415412425 /nfs/dbraw/zinc/41/24/25/415412425.db2.gz POZWNTOETKIGJZ-LSDHHAIUSA-N 2 1 284.469 2.115 20 0 CEADMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655680558 415381319 /nfs/dbraw/zinc/38/13/19/415381319.db2.gz QLZTZGDDRHPADS-INIZCTEOSA-N 2 1 290.407 2.038 20 0 CEADMP CCOC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000655760381 415441714 /nfs/dbraw/zinc/44/17/14/415441714.db2.gz OOJDNUKAADUZJU-SJORKVTESA-N 2 1 298.471 2.281 20 0 CEADMP CC1(C)SC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655766995 415448909 /nfs/dbraw/zinc/44/89/09/415448909.db2.gz WBMKSGRGOOTGJR-KGLIPLIRSA-N 2 1 284.469 2.113 20 0 CEADMP CN(C)c1nc(NC[C@H]2CCC[N@H+](CC3CC3)C2)cc[nH+]1 ZINC000664679494 415451957 /nfs/dbraw/zinc/45/19/57/415451957.db2.gz RKHSCTRVDLITQS-CQSZACIVSA-N 2 1 289.427 2.077 20 0 CEADMP CN(C)c1nc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc[nH+]1 ZINC000664679494 415451960 /nfs/dbraw/zinc/45/19/60/415451960.db2.gz RKHSCTRVDLITQS-CQSZACIVSA-N 2 1 289.427 2.077 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000655773284 415452031 /nfs/dbraw/zinc/45/20/31/415452031.db2.gz UOUNFPBNEOFLMB-IUODEOHRSA-N 2 1 252.402 2.018 20 0 CEADMP COC1([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000655776746 415459786 /nfs/dbraw/zinc/45/97/86/415459786.db2.gz OLQQQQKMAQBJLA-GDBMZVCRSA-N 2 1 296.455 2.177 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCc1noc2ccccc21 ZINC000655937572 415557148 /nfs/dbraw/zinc/55/71/48/415557148.db2.gz AKZITINTHIKDAS-VXGBXAGGSA-N 2 1 259.353 2.039 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CCC1 ZINC000665219618 415630088 /nfs/dbraw/zinc/63/00/88/415630088.db2.gz WXLYLMXWCAMSGN-OLZOCXBDSA-N 2 1 265.401 2.375 20 0 CEADMP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OC)c1 ZINC000665240158 415640423 /nfs/dbraw/zinc/64/04/23/415640423.db2.gz DTVGTFKNHYHJPH-MYSGWJLTSA-N 2 1 290.407 2.255 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]CCO[C@H]2CC2(F)F)c2ccccc21 ZINC000665244587 415644981 /nfs/dbraw/zinc/64/49/81/415644981.db2.gz RGQMEMWIQMBQEO-AGIUHOORSA-N 2 1 268.307 2.145 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](OC)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000665276186 415667318 /nfs/dbraw/zinc/66/73/18/415667318.db2.gz ZUGZCWMTWZGAAK-ILXRZTDVSA-N 2 1 254.418 2.312 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)CCC2 ZINC000665292208 415679946 /nfs/dbraw/zinc/67/99/46/415679946.db2.gz VXJOPHRYKKFEAD-OAHLLOKOSA-N 2 1 298.390 2.117 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH2+]C)C12CCCCC2 ZINC000665295849 415681961 /nfs/dbraw/zinc/68/19/61/415681961.db2.gz KKQGGPDDGGUDQC-MGPQQGTHSA-N 2 1 254.418 2.312 20 0 CEADMP c1ccc(O[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000662230487 415697560 /nfs/dbraw/zinc/69/75/60/415697560.db2.gz ZPBVMNKEFMTCDE-MRXNPFEDSA-N 2 1 260.381 2.139 20 0 CEADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+](C1CC1)C1CCCCC1 ZINC000662251083 415716865 /nfs/dbraw/zinc/71/68/65/415716865.db2.gz XOGAPNYXXNPCSJ-OAHLLOKOSA-N 2 1 264.413 2.305 20 0 CEADMP CC[N@@H+](CCc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253039 415718132 /nfs/dbraw/zinc/71/81/32/415718132.db2.gz SNPJBVNJMHMWDP-MRXNPFEDSA-N 2 1 274.408 2.072 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254961 415719887 /nfs/dbraw/zinc/71/98/87/415719887.db2.gz MZOSIDPFPPXSND-CBBWQLFWSA-N 2 1 264.413 2.160 20 0 CEADMP CCC[C@@]1(C)CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256724 415723215 /nfs/dbraw/zinc/72/32/15/415723215.db2.gz YFMLPOUGGLVKMS-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@@]1(C)CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256624 415724697 /nfs/dbraw/zinc/72/46/97/415724697.db2.gz XCIDFKVMWWYOFH-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@H]([NH3+])c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468298 415726079 /nfs/dbraw/zinc/72/60/79/415726079.db2.gz JMCDTRGJTTZUMX-CVEARBPZSA-N 2 1 299.422 2.210 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000656469852 415726372 /nfs/dbraw/zinc/72/63/72/415726372.db2.gz IOMGJPGLFDOQEP-KRWDZBQOSA-N 2 1 295.390 2.190 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C1CCCC1 ZINC000662266331 415731118 /nfs/dbraw/zinc/73/11/18/415731118.db2.gz LZSVSVKUWOSCSF-YHUYYLMFSA-N 2 1 266.429 2.251 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H](CC(F)(F)F)O1 ZINC000662231723 415700065 /nfs/dbraw/zinc/70/00/65/415700065.db2.gz RKSQGIQCLKFYFB-ZYHUDNBSSA-N 2 1 280.334 2.028 20 0 CEADMP C[N@H+](Cc1ccccc1Cl)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249232 415710289 /nfs/dbraw/zinc/71/02/89/415710289.db2.gz KBYJSQVGDGAPEB-ZDUSSCGKSA-N 2 1 280.799 2.293 20 0 CEADMP C[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248588 415710681 /nfs/dbraw/zinc/71/06/81/415710681.db2.gz GVAFPNPNUVABPP-JTQLQIEISA-N 2 1 286.828 2.354 20 0 CEADMP CCOc1ccc(C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249422 415711359 /nfs/dbraw/zinc/71/13/59/415711359.db2.gz NHBHDJLDTJDNHI-MRXNPFEDSA-N 2 1 290.407 2.038 20 0 CEADMP CC[C@@H]([NH3+])c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455347 415715772 /nfs/dbraw/zinc/71/57/72/415715772.db2.gz DLOHFCSNNXHMPN-LSDHHAIUSA-N 2 1 285.395 2.135 20 0 CEADMP Cc1nocc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662272970 415739154 /nfs/dbraw/zinc/73/91/54/415739154.db2.gz JCIYLQLSGHNJEP-KGLIPLIRSA-N 2 1 263.385 2.195 20 0 CEADMP CO[C@@H](C[N@H+]1CCCC[C@@H]1CC[NH3+])C1CCCC1 ZINC000662273150 415739647 /nfs/dbraw/zinc/73/96/47/415739647.db2.gz LVJBZUJJXSBCLZ-CABCVRRESA-N 2 1 254.418 2.395 20 0 CEADMP C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000656499972 415741181 /nfs/dbraw/zinc/74/11/81/415741181.db2.gz LUTLWGRGYOMQFE-KBXCAEBGSA-N 2 1 288.435 2.367 20 0 CEADMP CC(C)c1cccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000662276654 415743456 /nfs/dbraw/zinc/74/34/56/415743456.db2.gz NWXBVVBUPQWIKJ-SFHVURJKSA-N 2 1 287.451 2.290 20 0 CEADMP Cc1cc(C)cc(C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662280224 415744928 /nfs/dbraw/zinc/74/49/28/415744928.db2.gz NBLZVTGTFIQJQD-MRXNPFEDSA-N 2 1 274.408 2.256 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C1CCC1 ZINC000662277167 415745566 /nfs/dbraw/zinc/74/55/66/415745566.db2.gz RYKSJGIQXFVAHU-BZUAXINKSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662279661 415746733 /nfs/dbraw/zinc/74/67/33/415746733.db2.gz WNVHQWPHSNQXPB-IAGOWNOFSA-N 2 1 286.419 2.344 20 0 CEADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662277803 415746776 /nfs/dbraw/zinc/74/67/76/415746776.db2.gz UKEFBZPJBYQKDC-MGPQQGTHSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)nc(C)n1 ZINC000662283397 415748317 /nfs/dbraw/zinc/74/83/17/415748317.db2.gz NMUTVEUFVXRASL-ZDUSSCGKSA-N 2 1 274.412 2.057 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)[C@@H]1CCO ZINC000662301632 415765218 /nfs/dbraw/zinc/76/52/18/415765218.db2.gz FZJBAOPNHQDAQS-GDBMZVCRSA-N 2 1 268.445 2.249 20 0 CEADMP CO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662315620 415773581 /nfs/dbraw/zinc/77/35/81/415773581.db2.gz UJVBLHYTEWKGOW-FRRDWIJNSA-N 2 1 296.415 2.116 20 0 CEADMP C[C@@H](c1ccncc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321415 415777432 /nfs/dbraw/zinc/77/74/32/415777432.db2.gz HYSVTFWIXSKDNM-HOCLYGCPSA-N 2 1 277.412 2.185 20 0 CEADMP C[C@@H](c1ccncc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321415 415777439 /nfs/dbraw/zinc/77/74/39/415777439.db2.gz HYSVTFWIXSKDNM-HOCLYGCPSA-N 2 1 277.412 2.185 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC3CC=CC3)C2)C1 ZINC000662285503 415752400 /nfs/dbraw/zinc/75/24/00/415752400.db2.gz KRJDPNUZALIORR-OAGGEKHMSA-N 2 1 264.413 2.171 20 0 CEADMP COc1cccc(CCC[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000662292466 415756642 /nfs/dbraw/zinc/75/66/42/415756642.db2.gz ILQQMHGAFNWRKE-UHFFFAOYSA-N 2 1 250.386 2.297 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)on1 ZINC000662295234 415758494 /nfs/dbraw/zinc/75/84/94/415758494.db2.gz UOTPHZQAJSKDDE-AWEZNQCLSA-N 2 1 263.385 2.195 20 0 CEADMP CCc1nnc([C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)[nH]1 ZINC000662296418 415759359 /nfs/dbraw/zinc/75/93/59/415759359.db2.gz ZRLRGXPNVAORGO-GXTWGEPZSA-N 2 1 291.443 2.140 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000659920388 415783049 /nfs/dbraw/zinc/78/30/49/415783049.db2.gz OSZRTLNLYQHQMN-HLLBOEOZSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN(C)[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000659920388 415783052 /nfs/dbraw/zinc/78/30/52/415783052.db2.gz OSZRTLNLYQHQMN-HLLBOEOZSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN(C)[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000659920388 415783057 /nfs/dbraw/zinc/78/30/57/415783057.db2.gz OSZRTLNLYQHQMN-HLLBOEOZSA-N 2 1 279.472 2.133 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)C1CCCC1 ZINC000659926138 415783973 /nfs/dbraw/zinc/78/39/73/415783973.db2.gz LYCVPIBENGIODB-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000659946593 415801643 /nfs/dbraw/zinc/80/16/43/415801643.db2.gz GJIRKIRHYFVZJF-FGTMMUONSA-N 2 1 293.499 2.382 20 0 CEADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1COC(C)(C)C1 ZINC000659959399 415812384 /nfs/dbraw/zinc/81/23/84/415812384.db2.gz DQPDBJMIPDSUSY-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1COC(C)(C)C1 ZINC000659959399 415812390 /nfs/dbraw/zinc/81/23/90/415812390.db2.gz DQPDBJMIPDSUSY-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1COC(C)(C)C1 ZINC000659959399 415812393 /nfs/dbraw/zinc/81/23/93/415812393.db2.gz DQPDBJMIPDSUSY-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1COC(C)(C)C1 ZINC000659959399 415812400 /nfs/dbraw/zinc/81/24/00/415812400.db2.gz DQPDBJMIPDSUSY-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+](C)CCOc1ccc(C[NH+]2CC(C(F)F)C2)cc1 ZINC000656691369 415814619 /nfs/dbraw/zinc/81/46/19/415814619.db2.gz VHTYFGSWOZPUQX-UHFFFAOYSA-N 2 1 284.350 2.324 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659980683 415823520 /nfs/dbraw/zinc/82/35/20/415823520.db2.gz YAVDWYSYYIEJQC-YVSFHVDLSA-N 2 1 280.456 2.465 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(C)nc(C)n1 ZINC000660118760 415890237 /nfs/dbraw/zinc/89/02/37/415890237.db2.gz WFYFZBDAKBJUNM-UHFFFAOYSA-N 2 1 273.384 2.120 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(C)nc(C)n1 ZINC000660118760 415890242 /nfs/dbraw/zinc/89/02/42/415890242.db2.gz WFYFZBDAKBJUNM-UHFFFAOYSA-N 2 1 273.384 2.120 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000662583918 415892381 /nfs/dbraw/zinc/89/23/81/415892381.db2.gz YKFJXCLVIPNXEF-CVEARBPZSA-N 2 1 295.471 2.275 20 0 CEADMP Cn1ncc(Cl)c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656781988 415857419 /nfs/dbraw/zinc/85/74/19/415857419.db2.gz BWNHUQRDFZOMEG-CYBMUJFWSA-N 2 1 296.846 2.285 20 0 CEADMP CC(C)C[C@@H](N)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656781938 415858421 /nfs/dbraw/zinc/85/84/21/415858421.db2.gz AFQYXKIQOZCSCE-JKSUJKDBSA-N 2 1 267.461 2.071 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656781938 415858423 /nfs/dbraw/zinc/85/84/23/415858423.db2.gz AFQYXKIQOZCSCE-JKSUJKDBSA-N 2 1 267.461 2.071 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662486116 415861227 /nfs/dbraw/zinc/86/12/27/415861227.db2.gz KVEVOQJCDKFDNF-INIZCTEOSA-N 2 1 289.423 2.069 20 0 CEADMP CC[C@H]([NH2+]C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000662486992 415861662 /nfs/dbraw/zinc/86/16/62/415861662.db2.gz NVDXLMAIXYLUKG-HOCLYGCPSA-N 2 1 291.439 2.011 20 0 CEADMP CC[C@@H]([NH2+]C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000662486991 415861792 /nfs/dbraw/zinc/86/17/92/415861792.db2.gz NVDXLMAIXYLUKG-GOEBONIOSA-N 2 1 291.439 2.011 20 0 CEADMP C[C@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000656789339 415863106 /nfs/dbraw/zinc/86/31/06/415863106.db2.gz NHGHJBGPEOBNJR-BURFUSLBSA-N 3 1 287.451 2.110 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C[NH3+])CC(C)C)C[C@H]1C ZINC000662743290 415951611 /nfs/dbraw/zinc/95/16/11/415951611.db2.gz NHQXSCQIMIFEPG-PMPSAXMXSA-N 2 1 297.487 2.329 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662699507 415934501 /nfs/dbraw/zinc/93/45/01/415934501.db2.gz BNFCXECPEWBBPT-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000340124873 287347147 /nfs/dbraw/zinc/34/71/47/287347147.db2.gz HKQIDMSBRSVJJQ-PMPSAXMXSA-N 2 1 295.471 2.132 20 0 CEADMP CCn1cncc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000417910523 227153909 /nfs/dbraw/zinc/15/39/09/227153909.db2.gz KCCNMIQNWJGBRX-CQSZACIVSA-N 2 1 264.417 2.113 20 0 CEADMP CCn1cncc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000417910523 227153915 /nfs/dbraw/zinc/15/39/15/227153915.db2.gz KCCNMIQNWJGBRX-CQSZACIVSA-N 2 1 264.417 2.113 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C2 ZINC000666770709 419425374 /nfs/dbraw/zinc/42/53/74/419425374.db2.gz SONAXSANDWSCJR-GJZGRUSLSA-N 2 1 274.408 2.284 20 0 CEADMP CCc1ncc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000666997013 419508284 /nfs/dbraw/zinc/50/82/84/419508284.db2.gz RAHOGYYQVAMTKZ-NSHDSACASA-N 2 1 265.426 2.470 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3ccc(O)cc3CC2)CC[NH2+]1 ZINC000666689624 419778111 /nfs/dbraw/zinc/77/81/11/419778111.db2.gz WRQTWETXLMERBV-KGLIPLIRSA-N 2 1 274.408 2.181 20 0 CEADMP C[N@H+](CCc1ccc(F)cc1)CC[C@@H]1CC[NH2+]C1 ZINC000259195344 270329486 /nfs/dbraw/zinc/32/94/86/270329486.db2.gz ZWMKXHOXHFMCNS-AWEZNQCLSA-N 2 1 250.361 2.300 20 0 CEADMP CC1CC[NH+](CCCN[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000221826106 262301136 /nfs/dbraw/zinc/30/11/36/262301136.db2.gz RPSLMFXGWZSAQM-HOTGVXAUSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1ncsc1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000391105979 262381682 /nfs/dbraw/zinc/38/16/82/262381682.db2.gz CTKWCSMSHRXQOZ-GMXVVIOVSA-N 2 1 267.442 2.312 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414774015 263043554 /nfs/dbraw/zinc/04/35/54/263043554.db2.gz FBQOCTLGPPGSOS-IAGOWNOFSA-N 2 1 290.455 2.361 20 0 CEADMP CCC(O)(CC)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000471787560 263262974 /nfs/dbraw/zinc/26/29/74/263262974.db2.gz MUDIBUIECDSPMQ-HZSPNIEDSA-N 2 1 256.434 2.246 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)[C@H]2CCC[C@@H]21 ZINC000425954003 264071590 /nfs/dbraw/zinc/07/15/90/264071590.db2.gz MGLABARBORSTGH-AGIUHOORSA-N 2 1 258.356 2.494 20 0 CEADMP CS[C@H]1CC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000425351662 264122981 /nfs/dbraw/zinc/12/29/81/264122981.db2.gz MEPXULKEJLSOPU-KGLIPLIRSA-N 2 1 284.469 2.115 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](OC)C2CC2)C1 ZINC000425424924 264314006 /nfs/dbraw/zinc/31/40/06/264314006.db2.gz XNZYVRHBULQCTL-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CC(OC(C)C)C2)C1 ZINC000428079902 264368371 /nfs/dbraw/zinc/36/83/71/264368371.db2.gz XMZNIZNHDYHKNK-NFOMZHRRSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCO1)CC[C@H]1CCCC[NH+]1C ZINC000191061209 270271933 /nfs/dbraw/zinc/27/19/33/270271933.db2.gz XQUHCBUAZWDPAH-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000191573998 270273602 /nfs/dbraw/zinc/27/36/02/270273602.db2.gz LUWOPMCBKHJLSG-CWLKWCNXSA-N 2 1 290.451 2.217 20 0 CEADMP CCC[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192778960 270280008 /nfs/dbraw/zinc/28/00/08/270280008.db2.gz WYNDYTXXJFGXQL-VPSFDDGASA-N 2 1 279.472 2.418 20 0 CEADMP Cc1ccccc1C[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000315751749 270334013 /nfs/dbraw/zinc/33/40/13/270334013.db2.gz NGCZQRVVTGAKRW-OALUTQOASA-N 2 1 298.430 2.358 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000397267465 270352284 /nfs/dbraw/zinc/35/22/84/270352284.db2.gz VWDBXCQAGKDXEO-ZENOOKHLSA-N 2 1 289.423 2.450 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397359748 270353326 /nfs/dbraw/zinc/35/33/26/270353326.db2.gz XFKHNEOZGYXFED-ILXRZTDVSA-N 2 1 284.444 2.415 20 0 CEADMP C[NH+](C)CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000422767616 270758781 /nfs/dbraw/zinc/75/87/81/270758781.db2.gz TWTDYBFFIIKMLJ-IXXDHKBRSA-N 3 1 267.461 2.225 20 0 CEADMP CC[C@H]([NH2+]CCc1ccccc1OC)[C@@H]1CCC[NH2+]1 ZINC000422768599 270759142 /nfs/dbraw/zinc/75/91/42/270759142.db2.gz UBMBEMSVEAGDFD-GJZGRUSLSA-N 2 1 262.397 2.358 20 0 CEADMP CCOc1cc2c(cc1C[NH2+][C@@H](C)C1C[NH2+]C1)O[C@@H](C)C2 ZINC000422785958 270768154 /nfs/dbraw/zinc/76/81/54/270768154.db2.gz PVLFCJOZBFHQDC-RYUDHWBXSA-N 2 1 290.407 2.106 20 0 CEADMP C[C@@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423385641 270907950 /nfs/dbraw/zinc/90/79/50/270907950.db2.gz GUKFZHWANFQSAB-DZJNRPSUSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[C@@H]3[NH3+])cc2)C1 ZINC000424128410 271021349 /nfs/dbraw/zinc/02/13/49/271021349.db2.gz FIHKBWCZEHAFGH-WQVCFCJDSA-N 2 1 287.407 2.204 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000424197375 271031262 /nfs/dbraw/zinc/03/12/62/271031262.db2.gz HJJJMQMLOXFYFB-RKTXRCNFSA-N 2 1 274.408 2.152 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000424197375 271031265 /nfs/dbraw/zinc/03/12/65/271031265.db2.gz HJJJMQMLOXFYFB-RKTXRCNFSA-N 2 1 274.408 2.152 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)n1C ZINC000425321547 271156045 /nfs/dbraw/zinc/15/60/45/271156045.db2.gz HLBXVWKBNJLGCC-CQSZACIVSA-N 2 1 273.384 2.151 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCC[C@H]2C)[C@@H](C)C1 ZINC000429804711 271345256 /nfs/dbraw/zinc/34/52/56/271345256.db2.gz PRFAXLRFEXPPDF-XHSDSOJGSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N2CCC[C@H]2C)[C@@H](C)C1 ZINC000429804711 271345258 /nfs/dbraw/zinc/34/52/58/271345258.db2.gz PRFAXLRFEXPPDF-XHSDSOJGSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N2CCC[C@H]2C)[C@@H](C)C1 ZINC000429804711 271345260 /nfs/dbraw/zinc/34/52/60/271345260.db2.gz PRFAXLRFEXPPDF-XHSDSOJGSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NCc1cccs1 ZINC000430594267 271396111 /nfs/dbraw/zinc/39/61/11/271396111.db2.gz QIRYEDIEJMCDRL-GXTWGEPZSA-N 2 1 297.468 2.058 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NCc1cccs1 ZINC000430594267 271396114 /nfs/dbraw/zinc/39/61/14/271396114.db2.gz QIRYEDIEJMCDRL-GXTWGEPZSA-N 2 1 297.468 2.058 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430599666 271398243 /nfs/dbraw/zinc/39/82/43/271398243.db2.gz GHVNLHHEBYTDIS-ILXRZTDVSA-N 2 1 254.418 2.252 20 0 CEADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000430677474 271403788 /nfs/dbraw/zinc/40/37/88/271403788.db2.gz QIONWEGXWATNRZ-JJXSEGSLSA-N 2 1 293.455 2.027 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C1(C)C ZINC000344026018 279817000 /nfs/dbraw/zinc/81/70/00/279817000.db2.gz SSKWXQPJEMGROI-MGPQQGTHSA-N 2 1 254.418 2.120 20 0 CEADMP Cc1cnc([C@@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000423032239 281002965 /nfs/dbraw/zinc/00/29/65/281002965.db2.gz FCDPHTFDFJPLEM-ZMLRMANQSA-N 2 1 253.415 2.285 20 0 CEADMP O=C1Nc2ccccc2[C@]12CC[N@@H+](CCC[NH+]1CCCC1)C2 ZINC000368789138 275026426 /nfs/dbraw/zinc/02/64/26/275026426.db2.gz DTGJSHSBWMOPDZ-GOSISDBHSA-N 2 1 299.418 2.068 20 0 CEADMP C([NH2+][C@H]1CCC[C@H](C2CC2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252565854 275396022 /nfs/dbraw/zinc/39/60/22/275396022.db2.gz ZCQPLCURTOBLMC-LUKYLMHMSA-N 2 1 278.440 2.408 20 0 CEADMP C([NH2+][C@H]1CCC[C@H](C2CC2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252565854 275396023 /nfs/dbraw/zinc/39/60/23/275396023.db2.gz ZCQPLCURTOBLMC-LUKYLMHMSA-N 2 1 278.440 2.408 20 0 CEADMP C1=CO[C@H](C[NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC000193673866 275412301 /nfs/dbraw/zinc/41/23/01/275412301.db2.gz MFGHWAYFTCTSQA-HNNXBMFYSA-N 2 1 250.386 2.239 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000361151473 276004149 /nfs/dbraw/zinc/00/41/49/276004149.db2.gz FIIVCWKBNPBCCJ-ZBFHGGJFSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H]2CCN(C)C[C@H]2C)CC1 ZINC000361151473 276004150 /nfs/dbraw/zinc/00/41/50/276004150.db2.gz FIIVCWKBNPBCCJ-ZBFHGGJFSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000338290209 276096479 /nfs/dbraw/zinc/09/64/79/276096479.db2.gz LHAJAUCDLQYFIE-CABCVRRESA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000338290209 276096480 /nfs/dbraw/zinc/09/64/80/276096480.db2.gz LHAJAUCDLQYFIE-CABCVRRESA-N 2 1 270.461 2.447 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000352608124 276224966 /nfs/dbraw/zinc/22/49/66/276224966.db2.gz FUDOTPMVEKKCSZ-QXSJWSMHSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000352608124 276224967 /nfs/dbraw/zinc/22/49/67/276224967.db2.gz FUDOTPMVEKKCSZ-QXSJWSMHSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000352608124 276224968 /nfs/dbraw/zinc/22/49/68/276224968.db2.gz FUDOTPMVEKKCSZ-QXSJWSMHSA-N 2 1 268.445 2.464 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC2CCOCC2)C1 ZINC000336816329 276248227 /nfs/dbraw/zinc/24/82/27/276248227.db2.gz LPFPQPVVTKSAFB-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC000336816329 276248229 /nfs/dbraw/zinc/24/82/29/276248229.db2.gz LPFPQPVVTKSAFB-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC000336816329 276248231 /nfs/dbraw/zinc/24/82/31/276248231.db2.gz LPFPQPVVTKSAFB-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCOCC1 ZINC000353970569 276260500 /nfs/dbraw/zinc/26/05/00/276260500.db2.gz FLLBUPNHAWMZQC-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCOCC1 ZINC000353970569 276260503 /nfs/dbraw/zinc/26/05/03/276260503.db2.gz FLLBUPNHAWMZQC-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1(C)C ZINC000085385181 276352127 /nfs/dbraw/zinc/35/21/27/276352127.db2.gz VKHDYUBBXVXZDU-AEGPPILISA-N 2 1 266.429 2.264 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C12CCC2 ZINC000363695769 276352373 /nfs/dbraw/zinc/35/23/73/276352373.db2.gz RZORSZLOBPMPAE-SOUVJXGZSA-N 2 1 289.423 2.383 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000336801644 277077705 /nfs/dbraw/zinc/07/77/05/277077705.db2.gz QUSVBCSUYKGJHX-KGLIPLIRSA-N 2 1 262.401 2.073 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000336801644 277077706 /nfs/dbraw/zinc/07/77/06/277077706.db2.gz QUSVBCSUYKGJHX-KGLIPLIRSA-N 2 1 262.401 2.073 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000336801644 277077707 /nfs/dbraw/zinc/07/77/07/277077707.db2.gz QUSVBCSUYKGJHX-KGLIPLIRSA-N 2 1 262.401 2.073 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@@H](O)c3ccccc3)CC[C@@H]21 ZINC000220946529 277084020 /nfs/dbraw/zinc/08/40/20/277084020.db2.gz HGCIMHSMEKGDOC-YESZJQIVSA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@@H](O)c3ccccc3)CC[C@@H]21 ZINC000220946529 277084021 /nfs/dbraw/zinc/08/40/21/277084021.db2.gz HGCIMHSMEKGDOC-YESZJQIVSA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@@H](O)c3ccccc3)CC[C@@H]21 ZINC000220946529 277084023 /nfs/dbraw/zinc/08/40/23/277084023.db2.gz HGCIMHSMEKGDOC-YESZJQIVSA-N 2 1 274.408 2.136 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)C3CCCCC3)C2)C1 ZINC000334385631 277086676 /nfs/dbraw/zinc/08/66/76/277086676.db2.gz NIMMJGVICYIGHP-IRXDYDNUSA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)C3CCCCC3)C2)C1 ZINC000334385631 277086677 /nfs/dbraw/zinc/08/66/77/277086677.db2.gz NIMMJGVICYIGHP-IRXDYDNUSA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)C3CCCCC3)C2)C1 ZINC000334385631 277086678 /nfs/dbraw/zinc/08/66/78/277086678.db2.gz NIMMJGVICYIGHP-IRXDYDNUSA-N 2 1 280.456 2.345 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC2CCOCC2)[C@H]2CCC[C@H]21 ZINC000353531886 277170557 /nfs/dbraw/zinc/17/05/57/277170557.db2.gz PWSGQLKOCQHREN-OWCLPIDISA-N 2 1 266.429 2.266 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]2C)CC1 ZINC000343609433 277219524 /nfs/dbraw/zinc/21/95/24/277219524.db2.gz OZVBDYKHGJXHSU-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC000353929721 277325748 /nfs/dbraw/zinc/32/57/48/277325748.db2.gz FJINGOACVOMVMM-DVOMOZLQSA-N 2 1 294.439 2.181 20 0 CEADMP CC(C)C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CCCC1 ZINC000414703101 277380766 /nfs/dbraw/zinc/38/07/66/277380766.db2.gz LQEUSUANEJLDRR-OAHLLOKOSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000372420442 278002830 /nfs/dbraw/zinc/00/28/30/278002830.db2.gz HHNJZVXEZVDWQR-OWCLPIDISA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCOCC1 ZINC000366207889 278254802 /nfs/dbraw/zinc/25/48/02/278254802.db2.gz FITTUKRRMUYZFL-WWTUQBGBSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCOCC1 ZINC000366207889 278254804 /nfs/dbraw/zinc/25/48/04/278254804.db2.gz FITTUKRRMUYZFL-WWTUQBGBSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CCCc2c1cnn2C)C[NH+]1CCCC1 ZINC000062078317 278286507 /nfs/dbraw/zinc/28/65/07/278286507.db2.gz OVQKMSQXFAKGGP-ZFWWWQNUSA-N 2 1 276.428 2.119 20 0 CEADMP C[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128490025 278336474 /nfs/dbraw/zinc/33/64/74/278336474.db2.gz CEAKNGYYQUHTIB-HOTGVXAUSA-N 2 1 267.461 2.182 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089140422 278540561 /nfs/dbraw/zinc/54/05/61/278540561.db2.gz YXYWNFXYUFZGSQ-HOTGVXAUSA-N 3 1 267.461 2.216 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H](COC)C1 ZINC000365189205 279094642 /nfs/dbraw/zinc/09/46/42/279094642.db2.gz AKMZMGBEVLAJEC-HNNXBMFYSA-N 2 1 256.434 2.467 20 0 CEADMP CC[NH+](CC)CCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000249295235 279100335 /nfs/dbraw/zinc/10/03/35/279100335.db2.gz CGJOLLBNIKDTFN-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000249295235 279100338 /nfs/dbraw/zinc/10/03/38/279100338.db2.gz CGJOLLBNIKDTFN-QLFBSQMISA-N 3 1 255.450 2.037 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000249295235 279100340 /nfs/dbraw/zinc/10/03/40/279100340.db2.gz CGJOLLBNIKDTFN-QLFBSQMISA-N 3 1 255.450 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000178255094 288105684 /nfs/dbraw/zinc/10/56/84/288105684.db2.gz BBDAEOBQUDTNKI-CKEIUWERSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000300414070 288105699 /nfs/dbraw/zinc/10/56/99/288105699.db2.gz IYLIWKTWDJNYNZ-MGPQQGTHSA-N 2 1 254.418 2.121 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)N2CCC[C@H]2C)C1 ZINC000362391615 279135593 /nfs/dbraw/zinc/13/55/93/279135593.db2.gz SDPRZSRUJIZFNP-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCC[C@@H]1C ZINC000338347498 279174331 /nfs/dbraw/zinc/17/43/31/279174331.db2.gz ATKMOSNQWOTADO-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCC[C@@H]1C ZINC000338347498 279174334 /nfs/dbraw/zinc/17/43/34/279174334.db2.gz ATKMOSNQWOTADO-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](C)O)CC1)CC(C)C ZINC000337188779 279177006 /nfs/dbraw/zinc/17/70/06/279177006.db2.gz QZTOCVZGHFXDKW-OAHLLOKOSA-N 2 1 270.461 2.447 20 0 CEADMP CC[N@@H+](CCN[C@H](C)C[C@H]1CCCCC[NH2+]1)C1CC1 ZINC000261573185 279207678 /nfs/dbraw/zinc/20/76/78/279207678.db2.gz UYWWVJVRUZPHTC-HUUCEWRRSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000286150923 279258620 /nfs/dbraw/zinc/25/86/20/279258620.db2.gz PLAYSSSWZRTRNM-VXGBXAGGSA-N 2 1 291.395 2.008 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000250313135 279314641 /nfs/dbraw/zinc/31/46/41/279314641.db2.gz MCTNZOVHGFCALI-ARFHVFGLSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)OC[C@@H]2C)[C@@H](C)CO1 ZINC000247075187 288158810 /nfs/dbraw/zinc/15/88/10/288158810.db2.gz SLTKHKDAMSUUCJ-LUKYLMHMSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)OC[C@@H]2C)[C@@H](C)CO1 ZINC000247075187 288158814 /nfs/dbraw/zinc/15/88/14/288158814.db2.gz SLTKHKDAMSUUCJ-LUKYLMHMSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)OC[C@@H]2C)[C@@H](C)CO1 ZINC000247075187 288158817 /nfs/dbraw/zinc/15/88/17/288158817.db2.gz SLTKHKDAMSUUCJ-LUKYLMHMSA-N 2 1 298.471 2.375 20 0 CEADMP CC[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000126422434 280075582 /nfs/dbraw/zinc/07/55/82/280075582.db2.gz YIKYSKFDRJUNDK-XHSDSOJGSA-N 2 1 297.487 2.201 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194018609 280101504 /nfs/dbraw/zinc/10/15/04/280101504.db2.gz WHTKVHVADONZHR-KBUPBQIOSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194018609 280101507 /nfs/dbraw/zinc/10/15/07/280101507.db2.gz WHTKVHVADONZHR-KBUPBQIOSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Br)cc1 ZINC000235094880 280221235 /nfs/dbraw/zinc/22/12/35/280221235.db2.gz CRSNIWGFUBLIHR-DTWKUNHWSA-N 2 1 257.175 2.447 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC[N@H+]1C ZINC000246209896 280280253 /nfs/dbraw/zinc/28/02/53/280280253.db2.gz FUWWADVPETVVTQ-KLHDSHLOSA-N 2 1 295.471 2.225 20 0 CEADMP COC[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@@H](COC)C2)C1 ZINC000246806255 280310473 /nfs/dbraw/zinc/31/04/73/280310473.db2.gz AKBFRHMYDUUGLF-IAGOWNOFSA-N 2 1 298.471 2.093 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000246820078 280310838 /nfs/dbraw/zinc/31/08/38/280310838.db2.gz BCVOAAICPJFHDA-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000246820078 280310839 /nfs/dbraw/zinc/31/08/39/280310839.db2.gz BCVOAAICPJFHDA-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000246820078 280310840 /nfs/dbraw/zinc/31/08/40/280310840.db2.gz BCVOAAICPJFHDA-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCOC)[C@@H](C)C1 ZINC000246881070 280313056 /nfs/dbraw/zinc/31/30/56/280313056.db2.gz DAEAZBNFFHBGLH-XHSDSOJGSA-N 2 1 286.460 2.138 20 0 CEADMP C[C@H]1CCCCN1C(=O)CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000247350478 280327495 /nfs/dbraw/zinc/32/74/95/280327495.db2.gz GRGOXGQHAMJXLI-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000247469290 280330701 /nfs/dbraw/zinc/33/07/01/280330701.db2.gz RXNFJXPVAPZTIY-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000248325154 280343603 /nfs/dbraw/zinc/34/36/03/280343603.db2.gz BAVRGZBQGLWDOY-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000248325154 280343606 /nfs/dbraw/zinc/34/36/06/280343606.db2.gz BAVRGZBQGLWDOY-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000248325154 280343609 /nfs/dbraw/zinc/34/36/09/280343609.db2.gz BAVRGZBQGLWDOY-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000248325154 280343611 /nfs/dbraw/zinc/34/36/11/280343611.db2.gz BAVRGZBQGLWDOY-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000365191840 280680848 /nfs/dbraw/zinc/68/08/48/280680848.db2.gz NMDCLMIEQBNUAU-BFHYXJOUSA-N 2 1 292.427 2.153 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2)c2ccccc21 ZINC000422913567 280962168 /nfs/dbraw/zinc/96/21/68/280962168.db2.gz QGPXNJWJPFVHSJ-SJORKVTESA-N 2 1 295.386 2.151 20 0 CEADMP COC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccc(F)c(F)c1 ZINC000423011902 280993873 /nfs/dbraw/zinc/99/38/73/280993873.db2.gz BUZGRICMTKLMKB-BFVZDQMLSA-N 2 1 272.339 2.368 20 0 CEADMP Cc1cnc([C@@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000423032228 281003168 /nfs/dbraw/zinc/00/31/68/281003168.db2.gz FCDPHTFDFJPLEM-DLOVCJGASA-N 2 1 253.415 2.285 20 0 CEADMP C[C@H](CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)[NH+]1CCCCC1 ZINC000423033287 281003662 /nfs/dbraw/zinc/00/36/62/281003662.db2.gz OAGZJPAJUMVLLC-BZUAXINKSA-N 3 1 267.461 2.229 20 0 CEADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)C1C[NH2+]C1 ZINC000423052787 281012054 /nfs/dbraw/zinc/01/20/54/281012054.db2.gz REBDKTCCVFEXQU-QAPCUYQASA-N 2 1 289.467 2.341 20 0 CEADMP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423052787 281012057 /nfs/dbraw/zinc/01/20/57/281012057.db2.gz REBDKTCCVFEXQU-QAPCUYQASA-N 2 1 289.467 2.341 20 0 CEADMP FC(F)(F)C1CC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423134968 281018479 /nfs/dbraw/zinc/01/84/79/281018479.db2.gz XIXDWXXJAQVRKZ-ABLIHOLZSA-N 2 1 292.345 2.074 20 0 CEADMP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423447323 281045768 /nfs/dbraw/zinc/04/57/68/281045768.db2.gz DCBZFHBNNIKZIO-YHAGNCMBSA-N 2 1 290.382 2.101 20 0 CEADMP Cc1cccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c1C ZINC000423529229 281063011 /nfs/dbraw/zinc/06/30/11/281063011.db2.gz XKKHJICUTMJIRT-HUUCEWRRSA-N 2 1 262.397 2.333 20 0 CEADMP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[C@H](C)[NH3+] ZINC000423729109 281084655 /nfs/dbraw/zinc/08/46/55/281084655.db2.gz NRJYIDQABMKNNV-HOCLYGCPSA-N 2 1 297.487 2.329 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000423770050 281088207 /nfs/dbraw/zinc/08/82/07/281088207.db2.gz GZYJLOCTFQWKIV-GJZGRUSLSA-N 2 1 283.460 2.003 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC000424314576 281148128 /nfs/dbraw/zinc/14/81/28/281148128.db2.gz OSGWQDGDGZYBRW-KXKVQDCLSA-N 2 1 266.429 2.262 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC000424314576 281148131 /nfs/dbraw/zinc/14/81/31/281148131.db2.gz OSGWQDGDGZYBRW-KXKVQDCLSA-N 2 1 266.429 2.262 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C[C@H]2C1 ZINC000424351866 281152008 /nfs/dbraw/zinc/15/20/08/281152008.db2.gz PLFZKHGCRDBKRE-NVGNEYNXSA-N 2 1 278.440 2.405 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc3c1OCO3)CC[NH2+]CC2 ZINC000424376292 281153205 /nfs/dbraw/zinc/15/32/05/281153205.db2.gz KWRGLTXCFGINGW-CYBMUJFWSA-N 2 1 288.391 2.379 20 0 CEADMP Cc1ccc2[nH+]ccc(N3CC[N@@H+]4CCOC[C@@H]4C3)c2c1 ZINC000354568196 281169487 /nfs/dbraw/zinc/16/94/87/281169487.db2.gz NJRGISJYUQETSD-AWEZNQCLSA-N 2 1 283.375 2.064 20 0 CEADMP Cc1ccc2[nH+]ccc(N3CC[N@H+]4CCOC[C@@H]4C3)c2c1 ZINC000354568196 281169489 /nfs/dbraw/zinc/16/94/89/281169489.db2.gz NJRGISJYUQETSD-AWEZNQCLSA-N 2 1 283.375 2.064 20 0 CEADMP COC1(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000428876596 281205048 /nfs/dbraw/zinc/20/50/48/281205048.db2.gz NBUMOAGIGZTYAV-INIZCTEOSA-N 2 1 298.471 2.426 20 0 CEADMP COC1(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CCOCC1 ZINC000428876995 281205593 /nfs/dbraw/zinc/20/55/93/281205593.db2.gz QYPZRJYCNMXYGV-MRXNPFEDSA-N 2 1 298.471 2.284 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](CCOc3cccc(F)c3)C2)C1 ZINC000429015983 281217278 /nfs/dbraw/zinc/21/72/78/281217278.db2.gz AFIOLYAQQGDXKU-INIZCTEOSA-N 2 1 278.371 2.232 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CCOc3cccc(F)c3)C2)C1 ZINC000429015983 281217279 /nfs/dbraw/zinc/21/72/79/281217279.db2.gz AFIOLYAQQGDXKU-INIZCTEOSA-N 2 1 278.371 2.232 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CCOc3cccc(F)c3)C2)C1 ZINC000429015983 281217281 /nfs/dbraw/zinc/21/72/81/281217281.db2.gz AFIOLYAQQGDXKU-INIZCTEOSA-N 2 1 278.371 2.232 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](CCOc3cccc(F)c3)C2)C1 ZINC000429015983 281217282 /nfs/dbraw/zinc/21/72/82/281217282.db2.gz AFIOLYAQQGDXKU-INIZCTEOSA-N 2 1 278.371 2.232 20 0 CEADMP CC[C@H]1C[C@@H](C[NH+]2CCC3(CC[NH2+]3)CC2)CCO1 ZINC000335412128 281228041 /nfs/dbraw/zinc/22/80/41/281228041.db2.gz IKGJIPVYPFXTPH-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCc2ccncc2)CC1 ZINC000429540809 281241443 /nfs/dbraw/zinc/24/14/43/281241443.db2.gz UDSGVBQPCROOQI-INIZCTEOSA-N 2 1 261.413 2.430 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOCCOc2ccccc2)C1 ZINC000430613292 281269869 /nfs/dbraw/zinc/26/98/69/281269869.db2.gz VEVQEAMMAAZGAA-INIZCTEOSA-N 2 1 292.423 2.013 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000430941037 281284346 /nfs/dbraw/zinc/28/43/46/281284346.db2.gz TWIBIORSKJUINA-CJNGLKHVSA-N 2 1 262.397 2.297 20 0 CEADMP C[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)C[NH+]1CCCC1 ZINC000431727883 281315135 /nfs/dbraw/zinc/31/51/35/281315135.db2.gz LWEDRMAWKBDQDO-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])c2cc(N)ccc2O1 ZINC000332066075 281359214 /nfs/dbraw/zinc/35/92/14/281359214.db2.gz SBMBLJGYOGBLMZ-MJBXVCDLSA-N 2 1 275.396 2.340 20 0 CEADMP CC1(C)CC([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000433175230 281373145 /nfs/dbraw/zinc/37/31/45/281373145.db2.gz PEEXGJQOCNTLHX-UHFFFAOYSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435423999 281389642 /nfs/dbraw/zinc/38/96/42/281389642.db2.gz XGEZRLONLGTUAX-AWEZNQCLSA-N 2 1 276.428 2.020 20 0 CEADMP C[N@H+](Cc1ccc(N2CCCC2)nc1)[C@H]1CCC[NH2+]CC1 ZINC000435439826 281390180 /nfs/dbraw/zinc/39/01/80/281390180.db2.gz XEOQBTCTULUGHG-INIZCTEOSA-N 2 1 288.439 2.256 20 0 CEADMP C[N@@H+](Cc1ccc(N2CCCC2)nc1)[C@H]1CCC[NH2+]CC1 ZINC000435439826 281390182 /nfs/dbraw/zinc/39/01/82/281390182.db2.gz XEOQBTCTULUGHG-INIZCTEOSA-N 2 1 288.439 2.256 20 0 CEADMP CCC(C)(C)[C@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414714654 282038095 /nfs/dbraw/zinc/03/80/95/282038095.db2.gz XTFLMAFRGNMCIT-LSDHHAIUSA-N 2 1 295.471 2.084 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c(C)noc2C)[C@H](C)C1 ZINC000155964482 289186943 /nfs/dbraw/zinc/18/69/43/289186943.db2.gz OBJGPGMOWQMQLH-IAQYHMDHSA-N 2 1 265.401 2.154 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158257382 289231096 /nfs/dbraw/zinc/23/10/96/289231096.db2.gz YOFHDUBCQGTIRW-GJZGRUSLSA-N 2 1 299.422 2.260 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000314478251 289283649 /nfs/dbraw/zinc/28/36/49/289283649.db2.gz BUSDHWJEEDIXEC-BRWVUGGUSA-N 2 1 291.439 2.368 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000314478251 289283650 /nfs/dbraw/zinc/28/36/50/289283650.db2.gz BUSDHWJEEDIXEC-BRWVUGGUSA-N 2 1 291.439 2.368 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCCC12CCOCC2)C1CC1 ZINC000337363742 289365867 /nfs/dbraw/zinc/36/58/67/289365867.db2.gz LVHCJYLPSZQFHP-CABCVRRESA-N 2 1 266.429 2.266 20 0 CEADMP CCOc1ccccc1C[N@@H+](C)CCc1cncn1C ZINC000459294587 290107822 /nfs/dbraw/zinc/10/78/22/290107822.db2.gz FOVZNFNOKCECNM-UHFFFAOYSA-N 2 1 273.380 2.493 20 0 CEADMP Cn1cncc1CC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000459379702 290131644 /nfs/dbraw/zinc/13/16/44/290131644.db2.gz ANMIXCHRCBEVSN-OAHLLOKOSA-N 2 1 256.353 2.195 20 0 CEADMP Cc1ccc(C[C@@H](CO)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459489379 290162373 /nfs/dbraw/zinc/16/23/73/290162373.db2.gz ANYYJQLVQULIJV-KRWDZBQOSA-N 2 1 288.435 2.115 20 0 CEADMP CO[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000459564767 290181468 /nfs/dbraw/zinc/18/14/68/290181468.db2.gz IYLXTVXMGDUJJN-GOSISDBHSA-N 2 1 288.435 2.461 20 0 CEADMP C[N@H+]1CCC[C@@]2(CCN(Cc3cnc(C4CC4)nc3)C2)C1 ZINC000459600252 290191466 /nfs/dbraw/zinc/19/14/66/290191466.db2.gz ZUGKUXGXYRIQGH-QGZVFWFLSA-N 2 1 286.423 2.272 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459664996 290206723 /nfs/dbraw/zinc/20/67/23/290206723.db2.gz BLGGSPZHOQFTPS-OAGGEKHMSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459664996 290206727 /nfs/dbraw/zinc/20/67/27/290206727.db2.gz BLGGSPZHOQFTPS-OAGGEKHMSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459664996 290206729 /nfs/dbraw/zinc/20/67/29/290206729.db2.gz BLGGSPZHOQFTPS-OAGGEKHMSA-N 2 1 278.440 2.362 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3cccc(OC)c3C2)[C@@H](C)C1 ZINC000459700132 290213490 /nfs/dbraw/zinc/21/34/90/290213490.db2.gz MMSXKLBRQWPVTA-LXZKKBNFSA-N 2 1 288.435 2.482 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3nccn32)C1 ZINC000459723914 290217620 /nfs/dbraw/zinc/21/76/20/290217620.db2.gz DISBSTAZHKCIKK-AWEZNQCLSA-N 2 1 272.396 2.156 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459729368 290219853 /nfs/dbraw/zinc/21/98/53/290219853.db2.gz JDQIZALCGCRGCT-OAHLLOKOSA-N 2 1 290.407 2.295 20 0 CEADMP CCCn1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000459731261 290219864 /nfs/dbraw/zinc/21/98/64/290219864.db2.gz LCJPGSHRGWBGSE-AWEZNQCLSA-N 2 1 264.417 2.115 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000459733740 290220484 /nfs/dbraw/zinc/22/04/84/290220484.db2.gz SSSBKACXZUZANA-OAHLLOKOSA-N 2 1 286.419 2.379 20 0 CEADMP COc1c(O)cccc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459732804 290220759 /nfs/dbraw/zinc/22/07/59/290220759.db2.gz NAAHGFPZYYSZSR-CYBMUJFWSA-N 2 1 278.396 2.222 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459738408 290222334 /nfs/dbraw/zinc/22/23/34/290222334.db2.gz RRYHJJIGTXLQDL-MRXNPFEDSA-N 2 1 289.423 2.467 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000478954716 290304474 /nfs/dbraw/zinc/30/44/74/290304474.db2.gz ICLKLRFRFCNTEM-JYJNAYRXSA-N 2 1 295.471 2.145 20 0 CEADMP C(=C/c1ccncc1)\C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000486949318 290322854 /nfs/dbraw/zinc/32/28/54/290322854.db2.gz ZTOBQNIGSJWVSF-DNKSCHSHSA-N 2 1 257.381 2.311 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C/C=C/c2ccncc2)C1 ZINC000486989408 290326772 /nfs/dbraw/zinc/32/67/72/290326772.db2.gz MBLLOHJIAHWZHU-CWDCEQMOSA-N 2 1 259.397 2.416 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCSC[C@@H](C)C1 ZINC000488198304 290383130 /nfs/dbraw/zinc/38/31/30/290383130.db2.gz JDZUHBMNSRUJKC-LBPRGKRZSA-N 2 1 253.415 2.267 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCSC[C@@H](C)C1 ZINC000488198304 290383131 /nfs/dbraw/zinc/38/31/31/290383131.db2.gz JDZUHBMNSRUJKC-LBPRGKRZSA-N 2 1 253.415 2.267 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2C)C1 ZINC000488351781 290392230 /nfs/dbraw/zinc/39/22/30/290392230.db2.gz MVIQFTQSPJKTKB-RBSFLKMASA-N 2 1 254.418 2.075 20 0 CEADMP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000157386062 295324636 /nfs/dbraw/zinc/32/46/36/295324636.db2.gz CWNFOJLIUJHGGC-JCURWCKSSA-N 2 1 271.408 2.205 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530177528 298045521 /nfs/dbraw/zinc/04/55/21/298045521.db2.gz JSXLCJUTCVSCAV-RDJZCZTQSA-N 2 1 286.419 2.427 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000530214877 298051779 /nfs/dbraw/zinc/05/17/79/298051779.db2.gz YRTGSGKEDYABFP-FRFSOERESA-N 2 1 294.414 2.442 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000530219213 298054602 /nfs/dbraw/zinc/05/46/02/298054602.db2.gz OQNWSZZNWHHGPS-CVEARBPZSA-N 2 1 280.387 2.054 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3cccn3)c2)CC[N@H+]1C ZINC000531611975 298112406 /nfs/dbraw/zinc/11/24/06/298112406.db2.gz GVKIWLGWYHDSOH-ZBFHGGJFSA-N 2 1 284.407 2.445 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)o1 ZINC000532195940 298135492 /nfs/dbraw/zinc/13/54/92/298135492.db2.gz MXRWGXUWJICBKV-SLEUVZQESA-N 2 1 250.386 2.449 20 0 CEADMP COC(C)(C)C[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000542465282 298289787 /nfs/dbraw/zinc/28/97/87/298289787.db2.gz DKFAJTLQDZTYBD-UHFFFAOYSA-N 2 1 288.395 2.433 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000545983120 298342632 /nfs/dbraw/zinc/34/26/32/298342632.db2.gz RSEZBSXCWQCRAF-RRFJBIMHSA-N 2 1 277.412 2.148 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCC12CCOCC2 ZINC000554560897 298513279 /nfs/dbraw/zinc/51/32/79/298513279.db2.gz MOEJAJRHUBKGPM-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cncc(Br)c1 ZINC000563441483 298777605 /nfs/dbraw/zinc/77/76/05/298777605.db2.gz AMVUXNXHAGZZQG-SNVBAGLBSA-N 2 1 286.217 2.446 20 0 CEADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000566555967 299002053 /nfs/dbraw/zinc/00/20/53/299002053.db2.gz CGIGJIPSPUPLPP-IJEWVQPXSA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000566555967 299002056 /nfs/dbraw/zinc/00/20/56/299002056.db2.gz CGIGJIPSPUPLPP-IJEWVQPXSA-N 2 1 268.445 2.246 20 0 CEADMP CCN(C)C[C@H](O)C[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000520833348 313122979 /nfs/dbraw/zinc/12/29/79/313122979.db2.gz WWETXGHUTXVIKD-GDBMZVCRSA-N 2 1 294.439 2.437 20 0 CEADMP Cn1cc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2n1 ZINC000527765478 313200397 /nfs/dbraw/zinc/20/03/97/313200397.db2.gz XCAQKGUCXPGFOG-HOTGVXAUSA-N 2 1 284.407 2.290 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000527930734 313216296 /nfs/dbraw/zinc/21/62/96/313216296.db2.gz SQINEQHVUJPDNX-TUVASFSCSA-N 2 1 254.418 2.121 20 0 CEADMP COCCC1CC[NH+]([C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000527935706 313216942 /nfs/dbraw/zinc/21/69/42/313216942.db2.gz PBKQTOVMFNDZEW-CVEARBPZSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3cn(C)nc3c2)CC[N@H+]1C ZINC000527960799 313221175 /nfs/dbraw/zinc/22/11/75/313221175.db2.gz FBMSYUNGSIKMMK-WFASDCNBSA-N 2 1 272.396 2.146 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3cn(C)nc3c2)CC[N@H+]1C ZINC000527960790 313221267 /nfs/dbraw/zinc/22/12/67/313221267.db2.gz FBMSYUNGSIKMMK-DOMZBBRYSA-N 2 1 272.396 2.146 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530179759 313280575 /nfs/dbraw/zinc/28/05/75/313280575.db2.gz WWOQBNSNTMYTSQ-KBAYOESNSA-N 2 1 299.462 2.381 20 0 CEADMP Cn1ccnc1[C@H]1CC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000570461181 314042734 /nfs/dbraw/zinc/04/27/34/314042734.db2.gz NFPGYRWUGSGXKK-QWHCGFSZSA-N 2 1 263.385 2.167 20 0 CEADMP CC(C)(C[NH2+]C[C@](C)(O)C(F)(F)F)C[NH+]1CCCC1 ZINC000570564896 314046279 /nfs/dbraw/zinc/04/62/79/314046279.db2.gz MKGRLTFJTOJXPZ-LBPRGKRZSA-N 2 1 282.350 2.011 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1C ZINC000572140511 314121242 /nfs/dbraw/zinc/12/12/42/314121242.db2.gz MXDPYQMNOQKHIB-USXIJHARSA-N 2 1 290.455 2.482 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@H](C)O ZINC000574151941 314191318 /nfs/dbraw/zinc/19/13/18/314191318.db2.gz XXQQTKJOEXAXJA-KGLIPLIRSA-N 2 1 264.413 2.386 20 0 CEADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000574172489 314194433 /nfs/dbraw/zinc/19/44/33/314194433.db2.gz SRMXJIRLCPOWDX-UONOGXRCSA-N 2 1 268.445 2.248 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000577624945 314397394 /nfs/dbraw/zinc/39/73/94/314397394.db2.gz ZFNXIIWLQJGMQG-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000577624945 314397397 /nfs/dbraw/zinc/39/73/97/314397397.db2.gz ZFNXIIWLQJGMQG-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000577624945 314397400 /nfs/dbraw/zinc/39/74/00/314397400.db2.gz ZFNXIIWLQJGMQG-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP c1ccc(O[C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000580430829 322316773 /nfs/dbraw/zinc/31/67/73/322316773.db2.gz ZPBVMNKEFMTCDE-INIZCTEOSA-N 2 1 260.381 2.139 20 0 CEADMP C[C@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1c[nH+]ccc1N ZINC000580541157 322324651 /nfs/dbraw/zinc/32/46/51/322324651.db2.gz DNSFPCBPQXDFAR-QWHCGFSZSA-N 2 1 274.412 2.162 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CC[NH2+]C2CC2)C1 ZINC000581320315 322387551 /nfs/dbraw/zinc/38/75/51/322387551.db2.gz ADXZQNVPYQCVEG-GASCZTMLSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@@H]([NH2+]CCc1cccc(OC)c1OC)[C@@H]1CCC[NH2+]1 ZINC000584285590 327218073 /nfs/dbraw/zinc/21/80/73/327218073.db2.gz QPJUXUPHOYABAQ-CABCVRRESA-N 2 1 292.423 2.367 20 0 CEADMP CC[C@H]([NH2+]CCc1cccc(OC)c1OC)[C@@H]1CCC[NH2+]1 ZINC000584285591 327218079 /nfs/dbraw/zinc/21/80/79/327218079.db2.gz QPJUXUPHOYABAQ-GJZGRUSLSA-N 2 1 292.423 2.367 20 0 CEADMP C[C@H]([NH2+]C1(CO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357238623 533792141 /nfs/dbraw/zinc/79/21/41/533792141.db2.gz QNYHWLVUASQXFJ-HOCLYGCPSA-N 2 1 274.408 2.012 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000067574561 519610045 /nfs/dbraw/zinc/61/00/45/519610045.db2.gz DCTHIPLPKRGRRD-HOTGVXAUSA-N 2 1 297.487 2.201 20 0 CEADMP CCOc1cc(C[N@@H+](C)CCC[NH3+])ccc1OC(F)F ZINC000156852511 520694061 /nfs/dbraw/zinc/69/40/61/520694061.db2.gz YORGMEZATIVQBA-UHFFFAOYSA-N 2 1 288.338 2.467 20 0 CEADMP c1ncc(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000411287877 534541387 /nfs/dbraw/zinc/54/13/87/534541387.db2.gz ZPXOPINIZJSULE-CYBMUJFWSA-N 2 1 265.426 2.103 20 0 CEADMP c1ncc(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000411287877 534541393 /nfs/dbraw/zinc/54/13/93/534541393.db2.gz ZPXOPINIZJSULE-CYBMUJFWSA-N 2 1 265.426 2.103 20 0 CEADMP [NH3+]C1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000036754784 534567527 /nfs/dbraw/zinc/56/75/27/534567527.db2.gz SJQFNVRKNCIXAD-UHFFFAOYSA-N 2 1 254.761 2.142 20 0 CEADMP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCn1cc[nH+]c1C ZINC000363458931 523319297 /nfs/dbraw/zinc/31/92/97/523319297.db2.gz DITYKDXWCVLLBW-HOTGVXAUSA-N 2 1 276.428 2.140 20 0 CEADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1CCCn1cc[nH+]c1C ZINC000363458931 523319301 /nfs/dbraw/zinc/31/93/01/523319301.db2.gz DITYKDXWCVLLBW-HOTGVXAUSA-N 2 1 276.428 2.140 20 0 CEADMP COc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1OC ZINC000049551708 524088298 /nfs/dbraw/zinc/08/82/98/524088298.db2.gz AGOGSYURKVCHHN-GFCCVEGCSA-N 2 1 266.385 2.134 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CSC[C@@H]1C ZINC000352797315 534768783 /nfs/dbraw/zinc/76/87/83/534768783.db2.gz WKYQKLHOJLACAB-AAEUAGOBSA-N 2 1 253.415 2.313 20 0 CEADMP Cc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000052584850 524458447 /nfs/dbraw/zinc/45/84/47/524458447.db2.gz WQBSBJNUDDNMAV-UHFFFAOYSA-N 2 1 287.451 2.208 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2Cc3ccccc3N(C)C2)CC[N@H+]1C ZINC000364850449 525439691 /nfs/dbraw/zinc/43/96/91/525439691.db2.gz BLKQYJBHCGHFGJ-BFYDXBDKSA-N 2 1 287.451 2.367 20 0 CEADMP Cc1nc(C)n([C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000363459180 526767282 /nfs/dbraw/zinc/76/72/82/526767282.db2.gz IAOHAUKHQQZQPC-CVEARBPZSA-N 2 1 291.443 2.016 20 0 CEADMP Cc1nc(C)n([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000363459180 526767286 /nfs/dbraw/zinc/76/72/86/526767286.db2.gz IAOHAUKHQQZQPC-CVEARBPZSA-N 2 1 291.443 2.016 20 0 CEADMP Cc1nc(C)n([C@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000363459180 526767291 /nfs/dbraw/zinc/76/72/91/526767291.db2.gz IAOHAUKHQQZQPC-CVEARBPZSA-N 2 1 291.443 2.016 20 0 CEADMP Cc1nc([C@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)no1 ZINC000363467841 527077070 /nfs/dbraw/zinc/07/70/70/527077070.db2.gz KIHUSVYRPUGMKA-UONOGXRCSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc([C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)no1 ZINC000363467841 527077071 /nfs/dbraw/zinc/07/70/71/527077071.db2.gz KIHUSVYRPUGMKA-UONOGXRCSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)no1 ZINC000363467841 527077074 /nfs/dbraw/zinc/07/70/74/527077074.db2.gz KIHUSVYRPUGMKA-UONOGXRCSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)no1 ZINC000363467841 527077076 /nfs/dbraw/zinc/07/70/76/527077076.db2.gz KIHUSVYRPUGMKA-UONOGXRCSA-N 2 1 278.400 2.042 20 0 CEADMP CC(C)CCNC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116396687 527735772 /nfs/dbraw/zinc/73/57/72/527735772.db2.gz WCTVRDMZCYTMCS-CABCVRRESA-N 2 1 299.503 2.493 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2(O)CCC2)C[C@@H]1C ZINC000411115716 527831734 /nfs/dbraw/zinc/83/17/34/527831734.db2.gz FTEKFKXJBDFZJX-KBPBESRZSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2(O)CCC2)C[C@@H]1C ZINC000411115716 527831737 /nfs/dbraw/zinc/83/17/37/527831737.db2.gz FTEKFKXJBDFZJX-KBPBESRZSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2(O)CCC2)C[C@@H]1C ZINC000411115716 527831739 /nfs/dbraw/zinc/83/17/39/527831739.db2.gz FTEKFKXJBDFZJX-KBPBESRZSA-N 2 1 254.418 2.096 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC1([NH3+])CCCCC1 ZINC000418195542 528350442 /nfs/dbraw/zinc/35/04/42/528350442.db2.gz GHDVGUZEMAGRJT-CQSZACIVSA-N 2 1 298.475 2.068 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000173310302 529013553 /nfs/dbraw/zinc/01/35/53/529013553.db2.gz RXNFJXPVAPZTIY-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1 ZINC000355957574 529086260 /nfs/dbraw/zinc/08/62/60/529086260.db2.gz ZRBIEWYBTKYQGH-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000357548828 529253844 /nfs/dbraw/zinc/25/38/44/529253844.db2.gz BPDPBNAIVJPTII-HOCLYGCPSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000311014989 538761184 /nfs/dbraw/zinc/76/11/84/538761184.db2.gz BATAFUGRYHVPPQ-KGLIPLIRSA-N 3 1 255.450 2.035 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000311014989 538761190 /nfs/dbraw/zinc/76/11/90/538761190.db2.gz BATAFUGRYHVPPQ-KGLIPLIRSA-N 3 1 255.450 2.035 20 0 CEADMP Cc1cc2ncn(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)c2cc1C ZINC000738225007 574854610 /nfs/dbraw/zinc/85/46/10/574854610.db2.gz PYNRUDARIGVCCI-HNNXBMFYSA-N 2 1 286.423 2.494 20 0 CEADMP Cc1cc2ncn(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)c2cc1C ZINC000738225007 574854612 /nfs/dbraw/zinc/85/46/12/574854612.db2.gz PYNRUDARIGVCCI-HNNXBMFYSA-N 2 1 286.423 2.494 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2C)C1 ZINC000744424387 575120830 /nfs/dbraw/zinc/12/08/30/575120830.db2.gz VYENRYYWMOPMKR-DOTOQJQBSA-N 2 1 276.424 2.302 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2C)C1 ZINC000744424387 575120831 /nfs/dbraw/zinc/12/08/31/575120831.db2.gz VYENRYYWMOPMKR-DOTOQJQBSA-N 2 1 276.424 2.302 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2C)C1 ZINC000744424387 575120832 /nfs/dbraw/zinc/12/08/32/575120832.db2.gz VYENRYYWMOPMKR-DOTOQJQBSA-N 2 1 276.424 2.302 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2(O)CCCCC2)C1 ZINC000747531775 575171828 /nfs/dbraw/zinc/17/18/28/575171828.db2.gz OPPXEDIWRIUWNZ-INIZCTEOSA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2(O)CCCCC2)C1 ZINC000747531775 575171829 /nfs/dbraw/zinc/17/18/29/575171829.db2.gz OPPXEDIWRIUWNZ-INIZCTEOSA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2(O)CCCCC2)C1 ZINC000747531775 575171830 /nfs/dbraw/zinc/17/18/30/575171830.db2.gz OPPXEDIWRIUWNZ-INIZCTEOSA-N 2 1 280.456 2.345 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2(O)CCCCC2)C1 ZINC000747532100 575171852 /nfs/dbraw/zinc/17/18/52/575171852.db2.gz RZSZTPFLSBKRBC-MRXNPFEDSA-N 2 1 298.471 2.114 20 0 CEADMP CC(C)[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000963902537 613943040 /nfs/dbraw/zinc/94/30/40/613943040.db2.gz LGGJZZHHYXEHRP-QQFBHYJXSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000948858550 614032707 /nfs/dbraw/zinc/03/27/07/614032707.db2.gz KLWJPNJWHQHIIK-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000968780318 614086517 /nfs/dbraw/zinc/08/65/17/614086517.db2.gz CTWNCFAZTOAHCJ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000968780318 614086521 /nfs/dbraw/zinc/08/65/21/614086521.db2.gz CTWNCFAZTOAHCJ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000963142822 614145573 /nfs/dbraw/zinc/14/55/73/614145573.db2.gz ZBMBPDLOGSGCLO-UYSNPLJNSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000960819964 614267212 /nfs/dbraw/zinc/26/72/12/614267212.db2.gz BUAZSBLHKAEPOW-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000960819964 614267213 /nfs/dbraw/zinc/26/72/13/614267213.db2.gz BUAZSBLHKAEPOW-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000960819964 614267214 /nfs/dbraw/zinc/26/72/14/614267214.db2.gz BUAZSBLHKAEPOW-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948553066 614348003 /nfs/dbraw/zinc/34/80/03/614348003.db2.gz DGHGMWHVQQHUGB-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000948553066 614348006 /nfs/dbraw/zinc/34/80/06/614348006.db2.gz DGHGMWHVQQHUGB-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000948553066 614348009 /nfs/dbraw/zinc/34/80/09/614348009.db2.gz DGHGMWHVQQHUGB-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000972651152 614528197 /nfs/dbraw/zinc/52/81/97/614528197.db2.gz NUWWIVVKAVDHAU-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)C[N@H+]1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000981977203 614556854 /nfs/dbraw/zinc/55/68/54/614556854.db2.gz YLCUCHDRJMRVRT-INIZCTEOSA-N 2 1 297.487 2.297 20 0 CEADMP CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000952401766 614594864 /nfs/dbraw/zinc/59/48/64/614594864.db2.gz GOPXXDGQTJJIJK-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000952401766 614594867 /nfs/dbraw/zinc/59/48/67/614594867.db2.gz GOPXXDGQTJJIJK-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000948637538 614677398 /nfs/dbraw/zinc/67/73/98/614677398.db2.gz CIFMGHASAMECQC-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)C(C)C)CC[N@H+]1C ZINC000960645283 615584249 /nfs/dbraw/zinc/58/42/49/615584249.db2.gz TXRVSXCGQVBLPP-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@H+](C)C(C)C)CC[NH+]1C ZINC000960645283 615584250 /nfs/dbraw/zinc/58/42/50/615584250.db2.gz TXRVSXCGQVBLPP-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)C(C)C)CC[NH+]1C ZINC000960645283 615584251 /nfs/dbraw/zinc/58/42/51/615584251.db2.gz TXRVSXCGQVBLPP-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@H](C(=O)N1CCC[N@@H+](CC2CCCC2)CC1)[NH+](C)C ZINC000981438315 615600724 /nfs/dbraw/zinc/60/07/24/615600724.db2.gz ORPATLUYXSMAPL-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCNC(NC[C@H](C)[N@@H+]1CCc2ccccc2C1)=[NH+]CC ZINC000066244480 622655862 /nfs/dbraw/zinc/65/58/62/622655862.db2.gz PXLQBJDMLOIWTO-AWEZNQCLSA-N 2 1 288.439 2.008 20 0 CEADMP CCNC(NC[C@H](C)[N@H+]1CCc2ccccc2C1)=[NH+]CC ZINC000066244480 622655864 /nfs/dbraw/zinc/65/58/64/622655864.db2.gz PXLQBJDMLOIWTO-AWEZNQCLSA-N 2 1 288.439 2.008 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001024510011 625590925 /nfs/dbraw/zinc/59/09/25/625590925.db2.gz BHNFJKIQYLUMAH-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024510011 625590940 /nfs/dbraw/zinc/59/09/40/625590940.db2.gz BHNFJKIQYLUMAH-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024510011 625590952 /nfs/dbraw/zinc/59/09/52/625590952.db2.gz BHNFJKIQYLUMAH-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001024510011 625590961 /nfs/dbraw/zinc/59/09/61/625590961.db2.gz BHNFJKIQYLUMAH-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001024510011 625590968 /nfs/dbraw/zinc/59/09/68/625590968.db2.gz BHNFJKIQYLUMAH-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCc1ccc(C)[nH+]c1N[C@@H]1CC[N@H+](CCOC)C1 ZINC000668478153 623598811 /nfs/dbraw/zinc/59/88/11/623598811.db2.gz KPRVQXYNIOBDBD-CQSZACIVSA-N 2 1 263.385 2.085 20 0 CEADMP CCc1ccc(C)[nH+]c1N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000668478153 623598813 /nfs/dbraw/zinc/59/88/13/623598813.db2.gz KPRVQXYNIOBDBD-CQSZACIVSA-N 2 1 263.385 2.085 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCCCC1 ZINC000093452658 623633461 /nfs/dbraw/zinc/63/34/61/623633461.db2.gz MBEMGPRUJROKOV-WCXIOVBPSA-N 2 1 279.472 2.371 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C12CCC2 ZINC000308342818 623666806 /nfs/dbraw/zinc/66/68/06/623666806.db2.gz KBRUUZBIAZQWHM-APIJFGDWSA-N 2 1 264.413 2.160 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C12CCC2 ZINC000308342818 623666809 /nfs/dbraw/zinc/66/68/09/623666809.db2.gz KBRUUZBIAZQWHM-APIJFGDWSA-N 2 1 264.413 2.160 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C12CCC2 ZINC000308433173 623686581 /nfs/dbraw/zinc/68/65/81/623686581.db2.gz ZGOZRLUTJLJROF-ARQSVGKCSA-N 2 1 264.413 2.159 20 0 CEADMP Cc1cc(N)nc(NCC2([NH+](C)C)CCCCC2)[nH+]1 ZINC000891476254 623732662 /nfs/dbraw/zinc/73/26/62/623732662.db2.gz ORFJXVMHEZUQEY-UHFFFAOYSA-N 2 1 263.389 2.044 20 0 CEADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(OC)n1 ZINC000926207612 623875552 /nfs/dbraw/zinc/87/55/52/623875552.db2.gz TVRYCEWEDMBRLS-ZDUSSCGKSA-N 2 1 274.368 2.107 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCCC4(CCC4)O3)C[C@]2(C)C1 ZINC000933732439 623981903 /nfs/dbraw/zinc/98/19/03/623981903.db2.gz JKSVLLJKJUINFU-OAGGEKHMSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCCC4(CCC4)O3)C[C@]2(C)C1 ZINC000933732439 623981907 /nfs/dbraw/zinc/98/19/07/623981907.db2.gz JKSVLLJKJUINFU-OAGGEKHMSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCCC4(CCC4)O3)C[C@]2(C)C1 ZINC000933732439 623981911 /nfs/dbraw/zinc/98/19/11/623981911.db2.gz JKSVLLJKJUINFU-OAGGEKHMSA-N 2 1 278.440 2.362 20 0 CEADMP CCOC[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892049577 624276725 /nfs/dbraw/zinc/27/67/25/624276725.db2.gz SXPSCTDPLQXQCV-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cn3ccnc3s2)C1 ZINC000892146841 624354065 /nfs/dbraw/zinc/35/40/65/624354065.db2.gz ZMSFXBXUUOUNEX-LBPRGKRZSA-N 2 1 278.425 2.169 20 0 CEADMP Cc1cccnc1CCC[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926522366 624977898 /nfs/dbraw/zinc/97/78/98/624977898.db2.gz RODYEGMJWRCTCT-GOEBONIOSA-N 2 1 259.397 2.006 20 0 CEADMP Cc1cccnc1CCC[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926522366 624977899 /nfs/dbraw/zinc/97/78/99/624977899.db2.gz RODYEGMJWRCTCT-GOEBONIOSA-N 2 1 259.397 2.006 20 0 CEADMP CC(=O)c1ccccc1OCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000091846667 625056450 /nfs/dbraw/zinc/05/64/50/625056450.db2.gz WKKMKAZRQDUVSJ-UHFFFAOYSA-N 2 1 290.407 2.470 20 0 CEADMP [NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)NC1CC1 ZINC000309669403 625263211 /nfs/dbraw/zinc/26/32/11/625263211.db2.gz RQCPSNPUPZXEOY-OAHLLOKOSA-N 2 1 286.423 2.175 20 0 CEADMP COc1nccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1F ZINC000892510076 625742242 /nfs/dbraw/zinc/74/22/42/625742242.db2.gz GIBHDNSMOZRZKF-NSHDSACASA-N 2 1 292.358 2.160 20 0 CEADMP CCNC(NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)=[NH+]CC ZINC000066243349 625814474 /nfs/dbraw/zinc/81/44/74/625814474.db2.gz FIHFGZZYRCBKII-GASCZTMLSA-N 2 1 282.476 2.320 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cn2ccnc2s1 ZINC000892516683 625872109 /nfs/dbraw/zinc/87/21/09/625872109.db2.gz JAQYOELBQMGVAE-UHFFFAOYSA-N 2 1 266.414 2.216 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cn2ccnc2s1 ZINC000892516683 625872119 /nfs/dbraw/zinc/87/21/19/625872119.db2.gz JAQYOELBQMGVAE-UHFFFAOYSA-N 2 1 266.414 2.216 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C(C)(C)CO ZINC000924572553 625933713 /nfs/dbraw/zinc/93/37/13/625933713.db2.gz LELIIDFKDDQUPC-KBPBESRZSA-N 2 1 256.434 2.248 20 0 CEADMP Cc1n[nH]cc1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820807071 634534069 /nfs/dbraw/zinc/53/40/69/634534069.db2.gz ZADQYOCHZMIFOQ-ZXFUBFMLSA-N 2 1 288.439 2.398 20 0 CEADMP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000892576920 627284529 /nfs/dbraw/zinc/28/45/29/627284529.db2.gz LGZHXDWKJYWYIB-HUUCEWRRSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000892576920 627284531 /nfs/dbraw/zinc/28/45/31/627284531.db2.gz LGZHXDWKJYWYIB-HUUCEWRRSA-N 3 1 267.461 2.038 20 0 CEADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001006925005 627286008 /nfs/dbraw/zinc/28/60/08/627286008.db2.gz JPRLSBHETGQBGE-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001006925005 627286014 /nfs/dbraw/zinc/28/60/14/627286014.db2.gz JPRLSBHETGQBGE-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001006925005 627286016 /nfs/dbraw/zinc/28/60/16/627286016.db2.gz JPRLSBHETGQBGE-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP COC1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000892586739 627292598 /nfs/dbraw/zinc/29/25/98/627292598.db2.gz NSGFZHMIIOIZBQ-FJBKBRRZSA-N 2 1 266.429 2.408 20 0 CEADMP COC1CCC(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000892586739 627292602 /nfs/dbraw/zinc/29/26/02/627292602.db2.gz NSGFZHMIIOIZBQ-FJBKBRRZSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]CCc1ccc(F)c(F)c1 ZINC000892758435 627752087 /nfs/dbraw/zinc/75/20/87/627752087.db2.gz OKXSHGHCDIQKRF-UHFFFAOYSA-N 2 1 265.307 2.302 20 0 CEADMP C[C@H](CCNc1cc[nH+]cc1CO)[N@@H+](C)Cc1ccccc1 ZINC000892771174 627760995 /nfs/dbraw/zinc/76/09/95/627760995.db2.gz DXBGCKGJQCRJQY-OAHLLOKOSA-N 2 1 299.418 2.318 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902335893 634597762 /nfs/dbraw/zinc/59/77/62/634597762.db2.gz CPBQCTQLMDYESQ-GJZGRUSLSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H]1CCCCN1CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902335893 634597766 /nfs/dbraw/zinc/59/77/66/634597766.db2.gz CPBQCTQLMDYESQ-GJZGRUSLSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC2SCCS2)C[C@@H]1C[NH3+] ZINC000853023261 627921021 /nfs/dbraw/zinc/92/10/21/627921021.db2.gz QXKUGWPFJOKKOS-UTUOFQBUSA-N 2 1 274.499 2.488 20 0 CEADMP Cc1cc(N)nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000893008996 627939915 /nfs/dbraw/zinc/93/99/15/627939915.db2.gz NNVZIIFXLGNMTR-ZFWWWQNUSA-N 2 1 283.379 2.225 20 0 CEADMP Cc1cc(N)nc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[nH+]1 ZINC000893008996 627939917 /nfs/dbraw/zinc/93/99/17/627939917.db2.gz NNVZIIFXLGNMTR-ZFWWWQNUSA-N 2 1 283.379 2.225 20 0 CEADMP Cc1cc(N)nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)[nH+]1 ZINC000893008996 627939918 /nfs/dbraw/zinc/93/99/18/627939918.db2.gz NNVZIIFXLGNMTR-ZFWWWQNUSA-N 2 1 283.379 2.225 20 0 CEADMP CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000893099208 628003864 /nfs/dbraw/zinc/00/38/64/628003864.db2.gz XWMIPRHBBDIXEM-HHUDAYPZSA-N 2 1 298.496 2.281 20 0 CEADMP CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000893099208 628003867 /nfs/dbraw/zinc/00/38/67/628003867.db2.gz XWMIPRHBBDIXEM-HHUDAYPZSA-N 2 1 298.496 2.281 20 0 CEADMP [NH3+]C1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000902407125 634621948 /nfs/dbraw/zinc/62/19/48/634621948.db2.gz POVCKZXUXPGEMX-IUODEOHRSA-N 2 1 278.371 2.374 20 0 CEADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902407141 634621998 /nfs/dbraw/zinc/62/19/98/634621998.db2.gz PRHAYIZBTGDVMM-NILFDRSVSA-N 2 1 260.381 2.268 20 0 CEADMP C[C@H](O)C[C@H](C)CN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925511079 628041539 /nfs/dbraw/zinc/04/15/39/628041539.db2.gz FUODXGXOWAQMLM-ABHRYQDASA-N 2 1 250.386 2.072 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925512150 628043867 /nfs/dbraw/zinc/04/38/67/628043867.db2.gz ABNPABXTTZKYNN-HUUCEWRRSA-N 2 1 265.445 2.125 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C12CCCC2 ZINC000925517309 628062063 /nfs/dbraw/zinc/06/20/63/628062063.db2.gz KNUAWOCSZHSMHG-MELADBBJSA-N 2 1 266.429 2.454 20 0 CEADMP CCc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)on1 ZINC000925519533 628070845 /nfs/dbraw/zinc/07/08/45/628070845.db2.gz DFANOUFOGOUFHZ-PWSUYJOCSA-N 2 1 251.374 2.233 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000925519549 628070930 /nfs/dbraw/zinc/07/09/30/628070930.db2.gz SNXWSDWKBSEVJI-INIZCTEOSA-N 2 1 273.424 2.169 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000312054024 628087097 /nfs/dbraw/zinc/08/70/97/628087097.db2.gz YDNBKIYFXFZQAI-GDBMZVCRSA-N 2 1 260.381 2.058 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000312054024 628087100 /nfs/dbraw/zinc/08/71/00/628087100.db2.gz YDNBKIYFXFZQAI-GDBMZVCRSA-N 2 1 260.381 2.058 20 0 CEADMP C[C@H]([NH2+]C1CCC(C[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000893187692 628105616 /nfs/dbraw/zinc/10/56/16/628105616.db2.gz ULVZFXDPGWCIIG-HSBZDZAISA-N 2 1 284.444 2.427 20 0 CEADMP C[C@@H](C[NH3+])CN[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902393195 634632743 /nfs/dbraw/zinc/63/27/43/634632743.db2.gz NKMLJIMJJDYADT-XHDPSFHLSA-N 2 1 285.382 2.319 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000925545055 628184472 /nfs/dbraw/zinc/18/44/72/628184472.db2.gz WMDOJKXSXLAFLS-INIZCTEOSA-N 2 1 288.435 2.465 20 0 CEADMP Clc1ccccc1OCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925620599 628312626 /nfs/dbraw/zinc/31/26/26/628312626.db2.gz BZYNLKRDCQJZEX-LTVHRWTQSA-N 2 1 292.810 2.305 20 0 CEADMP C[C@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000925631797 628325308 /nfs/dbraw/zinc/32/53/08/628325308.db2.gz KMHKAZFRHWPMIA-NXNVCVFFSA-N 2 1 291.483 2.499 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]([NH+](C)C)[C@@H]2C)c1C ZINC000931040895 628341092 /nfs/dbraw/zinc/34/10/92/628341092.db2.gz FQSKOJSDQMOMID-DZGCQCFKSA-N 2 1 277.412 2.231 20 0 CEADMP Fc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1F ZINC000925647135 628349081 /nfs/dbraw/zinc/34/90/81/628349081.db2.gz ZERMBHXGUCUVMK-CQSZACIVSA-N 2 1 266.335 2.382 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)CC2 ZINC000925658178 628366814 /nfs/dbraw/zinc/36/68/14/628366814.db2.gz NTWBSIPNNAJHQN-NWANDNLSSA-N 2 1 276.428 2.051 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000925664078 628379012 /nfs/dbraw/zinc/37/90/12/628379012.db2.gz YNYHUQKKXOZCQV-SWLSCSKDSA-N 2 1 257.381 2.441 20 0 CEADMP c1ccc2c(c1)OC[C@H]2C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925667210 628384533 /nfs/dbraw/zinc/38/45/33/628384533.db2.gz APHZXRNYUCFEPJ-IUODEOHRSA-N 2 1 258.365 2.037 20 0 CEADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C2 ZINC000925668656 628387380 /nfs/dbraw/zinc/38/73/80/628387380.db2.gz JIYVZIZRWICLGE-KFWWJZLASA-N 2 1 288.439 2.025 20 0 CEADMP c1nn(CC2CCC2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000902434670 634655264 /nfs/dbraw/zinc/65/52/64/634655264.db2.gz YVRFMJNKTHFOFT-XYPWUTKMSA-N 2 1 274.412 2.056 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[NH2+]C12CCCC2 ZINC000925676653 628465220 /nfs/dbraw/zinc/46/52/20/628465220.db2.gz OOYKDKPFVMNHOQ-GJZGRUSLSA-N 2 1 267.461 2.371 20 0 CEADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925685391 628492976 /nfs/dbraw/zinc/49/29/76/628492976.db2.gz MGJVZGRBFLYDNH-MCIONIFRSA-N 2 1 252.402 2.208 20 0 CEADMP CC(C)[NH2+]CCCN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925691632 628509246 /nfs/dbraw/zinc/50/92/46/628509246.db2.gz JCJQYSOOWDGKTG-INIZCTEOSA-N 2 1 263.429 2.444 20 0 CEADMP C1CCC([C@@H]2C[NH2+]CC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000925693213 628512577 /nfs/dbraw/zinc/51/25/77/628512577.db2.gz QAWQPPVRIWWYLL-BFZKSOEOSA-N 3 1 277.456 2.027 20 0 CEADMP [NH3+]C1(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000902413481 634663263 /nfs/dbraw/zinc/66/32/63/634663263.db2.gz MRJLNUAVZXDYHV-KZNAEPCWSA-N 2 1 299.462 2.368 20 0 CEADMP [NH3+]CCC[C@@H](NCC1([NH3+])CCCC1)c1ccccc1 ZINC000925713507 628565835 /nfs/dbraw/zinc/56/58/35/628565835.db2.gz WDJJYCJKSKBWJE-OAHLLOKOSA-N 2 1 261.413 2.328 20 0 CEADMP COC1CC(CC[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])C1 ZINC000925714453 628570805 /nfs/dbraw/zinc/57/08/05/628570805.db2.gz RGDWDHQUAHPSKM-XCAIRMDXSA-N 2 1 262.397 2.480 20 0 CEADMP CCC[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)OCC ZINC000925722430 628595510 /nfs/dbraw/zinc/59/55/10/628595510.db2.gz IJVRSOAWLPAZEF-ZIAGYGMSSA-N 2 1 254.418 2.456 20 0 CEADMP C[C@H]([NH2+]C1CCS(=O)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488187 628648839 /nfs/dbraw/zinc/64/88/39/628648839.db2.gz PSEUTAOQBOFJIB-CDOZLARXSA-N 2 1 298.496 2.140 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000253192094 628652465 /nfs/dbraw/zinc/65/24/65/628652465.db2.gz MUZCPZOOVSZWNF-GXTWGEPZSA-N 2 1 278.396 2.121 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H]1c1nc(C2CC[NH2+]CC2)no1 ZINC000258066185 628673252 /nfs/dbraw/zinc/67/32/52/628673252.db2.gz QCRMGIGEGOZFQL-LBPRGKRZSA-N 2 1 264.373 2.082 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1c1nc(C2CC[NH2+]CC2)no1 ZINC000258066185 628673254 /nfs/dbraw/zinc/67/32/54/628673254.db2.gz QCRMGIGEGOZFQL-LBPRGKRZSA-N 2 1 264.373 2.082 20 0 CEADMP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1(CC2CC2)CC1 ZINC000925733161 628688100 /nfs/dbraw/zinc/68/81/00/628688100.db2.gz GKEYKNYWCSASKE-JYJNAYRXSA-N 2 1 278.440 2.313 20 0 CEADMP CC(C)[C@@H]1CC[C@H]1[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750180 628709904 /nfs/dbraw/zinc/70/99/04/628709904.db2.gz DLOMBOMNRCRXKL-CMPLNLGQSA-N 2 1 265.426 2.395 20 0 CEADMP CC(C)[C@@H]1CC[C@H]1[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750180 628709907 /nfs/dbraw/zinc/70/99/07/628709907.db2.gz DLOMBOMNRCRXKL-CMPLNLGQSA-N 2 1 265.426 2.395 20 0 CEADMP CC[C@H](c1cnn(C)c1)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925755534 628730666 /nfs/dbraw/zinc/73/06/66/628730666.db2.gz FMVKKCXKZZYJAA-CYBMUJFWSA-N 2 1 250.390 2.075 20 0 CEADMP CCC1([NH3+])CC[NH+]([C@H](C)c2cnc(C)nc2C)CC1 ZINC000925756679 628731594 /nfs/dbraw/zinc/73/15/94/628731594.db2.gz OUPGGCXCDMPJOV-GFCCVEGCSA-N 2 1 262.401 2.358 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C12CCCC2 ZINC000902464168 634683037 /nfs/dbraw/zinc/68/30/37/634683037.db2.gz AMUDCFRAOBRCLS-QRTUWBSPSA-N 2 1 264.413 2.207 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C12CCCC2 ZINC000902464160 634683315 /nfs/dbraw/zinc/68/33/15/634683315.db2.gz AMUDCFRAOBRCLS-NJVJYBDUSA-N 2 1 264.413 2.207 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)c1c[nH+]ccc1N ZINC000902462113 634680531 /nfs/dbraw/zinc/68/05/31/634680531.db2.gz SVTJNIOZGMUEAB-NWDGAFQWSA-N 2 1 263.385 2.492 20 0 CEADMP CC(C)CCCC[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000893600016 628777224 /nfs/dbraw/zinc/77/72/24/628777224.db2.gz AAWUVVPNQOAIMD-UHFFFAOYSA-N 2 1 256.434 2.249 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C12CCCC2 ZINC000902464177 634683240 /nfs/dbraw/zinc/68/32/40/634683240.db2.gz AMUDCFRAOBRCLS-VYDRJRHOSA-N 2 1 264.413 2.207 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C12CCCC2 ZINC000902464149 634682967 /nfs/dbraw/zinc/68/29/67/634682967.db2.gz AMUDCFRAOBRCLS-JARUQAPTSA-N 2 1 264.413 2.207 20 0 CEADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467936 634685057 /nfs/dbraw/zinc/68/50/57/634685057.db2.gz SHMLUSRPHFAINA-MWDXBVQZSA-N 2 1 292.398 2.256 20 0 CEADMP CC(C)CO[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925780944 628807779 /nfs/dbraw/zinc/80/77/79/628807779.db2.gz CEXUTCOAYHOIFG-MQYQWHSLSA-N 2 1 254.418 2.024 20 0 CEADMP COc1cccc(C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C2CC2)c1 ZINC000902471955 634687400 /nfs/dbraw/zinc/68/74/00/634687400.db2.gz VIQFFCYEWWFDSL-XOYOTBSWSA-N 2 1 286.419 2.499 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000925788220 628829110 /nfs/dbraw/zinc/82/91/10/628829110.db2.gz ZDHJJYMVMHPQGV-MXSMSXNCSA-N 2 1 287.451 2.095 20 0 CEADMP C1CC([C@@H]2CC[C@H]2[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000925789579 628832159 /nfs/dbraw/zinc/83/21/59/628832159.db2.gz ABCFGKMPUDPSNK-HRCADAONSA-N 2 1 278.440 2.313 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000094371401 628835233 /nfs/dbraw/zinc/83/52/33/628835233.db2.gz VGFYCTPFBNVJFQ-GJZGRUSLSA-N 2 1 284.444 2.035 20 0 CEADMP C[N@H+](CC[NH2+][C@H]1CCOC2(CCOCC2)C1)C1CCCC1 ZINC000094372759 628835246 /nfs/dbraw/zinc/83/52/46/628835246.db2.gz QILPFYFZUWKXFW-HNNXBMFYSA-N 2 1 296.455 2.179 20 0 CEADMP C[N@@H+](CC[NH2+][C@H]1CCOC2(CCOCC2)C1)C1CCCC1 ZINC000094372759 628835250 /nfs/dbraw/zinc/83/52/50/628835250.db2.gz QILPFYFZUWKXFW-HNNXBMFYSA-N 2 1 296.455 2.179 20 0 CEADMP Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925806484 628858431 /nfs/dbraw/zinc/85/84/31/628858431.db2.gz QIMYXMQISSYVGK-CABZTGNLSA-N 2 1 260.341 2.154 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1)[C@@H]1CCCC[NH2+]1 ZINC000925806811 628858472 /nfs/dbraw/zinc/85/84/72/628858472.db2.gz RBLUQVIQIQSEJG-WHOHXGKFSA-N 2 1 280.334 2.217 20 0 CEADMP CN(C)Cc1csc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925813666 628867263 /nfs/dbraw/zinc/86/72/63/628867263.db2.gz VICNMISRHTTWKK-NEPJUHHUSA-N 2 1 296.484 2.200 20 0 CEADMP OCCC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925814993 628870274 /nfs/dbraw/zinc/87/02/74/628870274.db2.gz RTCIULSWQRIBBA-SOUVJXGZSA-N 2 1 277.412 2.119 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cnc2ccccc2c1 ZINC000925835657 628932608 /nfs/dbraw/zinc/93/26/08/628932608.db2.gz RRFZLPGYDHNVBC-SUMWQHHRSA-N 2 1 269.392 2.365 20 0 CEADMP C[C@@H]([NH2+]CCN1CCc2ccccc21)c1c[nH+]ccc1N ZINC000925836696 628934313 /nfs/dbraw/zinc/93/43/13/628934313.db2.gz LTIUHHYGAOPLNK-CYBMUJFWSA-N 2 1 282.391 2.207 20 0 CEADMP CC[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)[C@@H]1CC1(C)C ZINC000925843407 628946383 /nfs/dbraw/zinc/94/63/83/628946383.db2.gz PUAYQIKKDPTREW-JKSUJKDBSA-N 2 1 281.488 2.476 20 0 CEADMP N[C@@H]1CCCCC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925880713 628979733 /nfs/dbraw/zinc/97/97/33/628979733.db2.gz ASOCQYKGUVLPLT-TVFCKZIOSA-N 2 1 287.451 2.295 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H]2CCC(=O)O2)C1 ZINC000821375309 634701274 /nfs/dbraw/zinc/70/12/74/634701274.db2.gz WKZZYJICEFPDDT-OWCLPIDISA-N 2 1 294.439 2.278 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2CCC(=O)O2)C1 ZINC000821375309 634701278 /nfs/dbraw/zinc/70/12/78/634701278.db2.gz WKZZYJICEFPDDT-OWCLPIDISA-N 2 1 294.439 2.278 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2CCC(=O)O2)C1 ZINC000821375309 634701283 /nfs/dbraw/zinc/70/12/83/634701283.db2.gz WKZZYJICEFPDDT-OWCLPIDISA-N 2 1 294.439 2.278 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2CCC(=O)O2)C1 ZINC000821375309 634701286 /nfs/dbraw/zinc/70/12/86/634701286.db2.gz WKZZYJICEFPDDT-OWCLPIDISA-N 2 1 294.439 2.278 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2n[nH]c(C)c2C)[C@H](C)C1 ZINC000894050043 629103109 /nfs/dbraw/zinc/10/31/09/629103109.db2.gz LCOTYNHDVCVNNA-IAQYHMDHSA-N 2 1 264.417 2.189 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000894087291 629118852 /nfs/dbraw/zinc/11/88/52/629118852.db2.gz XLRVROTXFRHDOQ-CYBMUJFWSA-N 2 1 288.395 2.042 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000894087291 629118858 /nfs/dbraw/zinc/11/88/58/629118858.db2.gz XLRVROTXFRHDOQ-CYBMUJFWSA-N 2 1 288.395 2.042 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000894087291 629118860 /nfs/dbraw/zinc/11/88/60/629118860.db2.gz XLRVROTXFRHDOQ-CYBMUJFWSA-N 2 1 288.395 2.042 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000894087291 629118864 /nfs/dbraw/zinc/11/88/64/629118864.db2.gz XLRVROTXFRHDOQ-CYBMUJFWSA-N 2 1 288.395 2.042 20 0 CEADMP c1ccc2ncc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2c1 ZINC000261710419 629143865 /nfs/dbraw/zinc/14/38/65/629143865.db2.gz JJJBXJXVDRROTO-KRWDZBQOSA-N 2 1 267.376 2.420 20 0 CEADMP c1ccc2ncc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2c1 ZINC000261710419 629143867 /nfs/dbraw/zinc/14/38/67/629143867.db2.gz JJJBXJXVDRROTO-KRWDZBQOSA-N 2 1 267.376 2.420 20 0 CEADMP CCOC(C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C)OCC ZINC000248597710 629144002 /nfs/dbraw/zinc/14/40/02/629144002.db2.gz AWWWTXZEBMSOPM-UONOGXRCSA-N 2 1 272.433 2.048 20 0 CEADMP CCOC(C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C)OCC ZINC000248597710 629144006 /nfs/dbraw/zinc/14/40/06/629144006.db2.gz AWWWTXZEBMSOPM-UONOGXRCSA-N 2 1 272.433 2.048 20 0 CEADMP CCOC(C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)OCC ZINC000248597710 629144009 /nfs/dbraw/zinc/14/40/09/629144009.db2.gz AWWWTXZEBMSOPM-UONOGXRCSA-N 2 1 272.433 2.048 20 0 CEADMP CCOC(C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)OCC ZINC000248597710 629144011 /nfs/dbraw/zinc/14/40/11/629144011.db2.gz AWWWTXZEBMSOPM-UONOGXRCSA-N 2 1 272.433 2.048 20 0 CEADMP C[C@H]([NH2+]CCCOc1cccc(F)c1)[C@H]1CCC[NH2+]1 ZINC000902517908 634711570 /nfs/dbraw/zinc/71/15/70/634711570.db2.gz OOAHTQHATJISJZ-SWLSCSKDSA-N 2 1 266.360 2.325 20 0 CEADMP Cc1noc2ncc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc12 ZINC000894188390 629198373 /nfs/dbraw/zinc/19/83/73/629198373.db2.gz XAZHTJGKNCXLIV-KGLIPLIRSA-N 2 1 286.379 2.248 20 0 CEADMP Cc1noc2ncc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc12 ZINC000894188390 629198377 /nfs/dbraw/zinc/19/83/77/629198377.db2.gz XAZHTJGKNCXLIV-KGLIPLIRSA-N 2 1 286.379 2.248 20 0 CEADMP Cc1noc2ncc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc12 ZINC000894188390 629198380 /nfs/dbraw/zinc/19/83/80/629198380.db2.gz XAZHTJGKNCXLIV-KGLIPLIRSA-N 2 1 286.379 2.248 20 0 CEADMP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@@H]1[NH3+] ZINC000261958678 629395905 /nfs/dbraw/zinc/39/59/05/629395905.db2.gz OYLRZVQUGZMUJR-GWCFXTLKSA-N 2 1 276.409 2.307 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@@H]1[NH3+] ZINC000261958678 629395908 /nfs/dbraw/zinc/39/59/08/629395908.db2.gz OYLRZVQUGZMUJR-GWCFXTLKSA-N 2 1 276.409 2.307 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)o1 ZINC000894495467 629497542 /nfs/dbraw/zinc/49/75/42/629497542.db2.gz JZLFLAOPTGSTLZ-TZMCWYRMSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)o1 ZINC000894495467 629497545 /nfs/dbraw/zinc/49/75/45/629497545.db2.gz JZLFLAOPTGSTLZ-TZMCWYRMSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)o1 ZINC000894495467 629497546 /nfs/dbraw/zinc/49/75/46/629497546.db2.gz JZLFLAOPTGSTLZ-TZMCWYRMSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)o1 ZINC000894495467 629497548 /nfs/dbraw/zinc/49/75/48/629497548.db2.gz JZLFLAOPTGSTLZ-TZMCWYRMSA-N 2 1 264.369 2.204 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)CC1 ZINC000894536703 629525092 /nfs/dbraw/zinc/52/50/92/629525092.db2.gz KAHRLIFCJPGJQB-GOSISDBHSA-N 2 1 299.462 2.465 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000821520219 634745750 /nfs/dbraw/zinc/74/57/50/634745750.db2.gz GOOPJNFVEPWSPU-AWEZNQCLSA-N 2 1 283.460 2.096 20 0 CEADMP CCCn1nccc1C[N@@H+](C)CCCn1ccnc1C ZINC000668167108 629686123 /nfs/dbraw/zinc/68/61/23/629686123.db2.gz SUADXAKXATZGKL-UHFFFAOYSA-N 2 1 275.400 2.320 20 0 CEADMP CCCn1nccc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000668167108 629686129 /nfs/dbraw/zinc/68/61/29/629686129.db2.gz SUADXAKXATZGKL-UHFFFAOYSA-N 2 1 275.400 2.320 20 0 CEADMP COC(=O)c1sccc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000894861915 629699600 /nfs/dbraw/zinc/69/96/00/629699600.db2.gz YOMVMRPXMNDJOT-LBPRGKRZSA-N 2 1 296.436 2.356 20 0 CEADMP COc1ccc([C@H](C)[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000909415165 629724187 /nfs/dbraw/zinc/72/41/87/629724187.db2.gz QNTCWXCQJIHRMA-HOCLYGCPSA-N 2 1 292.423 2.145 20 0 CEADMP C[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccncc1 ZINC000796315676 629844039 /nfs/dbraw/zinc/84/40/39/629844039.db2.gz JZYOIONUUCMSOU-GFCCVEGCSA-N 2 1 290.436 2.493 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCC(C)(O)CC1 ZINC000895137382 629947961 /nfs/dbraw/zinc/94/79/61/629947961.db2.gz PHKQEIXGGWPUCO-UHFFFAOYSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@@H](CCN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000895296321 630088515 /nfs/dbraw/zinc/08/85/15/630088515.db2.gz GCEWIMMGQFPZAW-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](CC[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000895296321 630088523 /nfs/dbraw/zinc/08/85/23/630088523.db2.gz GCEWIMMGQFPZAW-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP COc1cc(C)c(C[NH2+]CC[C@@H](C)[NH+](C)C)c(C)n1 ZINC000895296465 630089337 /nfs/dbraw/zinc/08/93/37/630089337.db2.gz LVMWLLDYVJIDRJ-GFCCVEGCSA-N 2 1 265.401 2.137 20 0 CEADMP CC1=NO[C@@H](CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000895308367 630096936 /nfs/dbraw/zinc/09/69/36/630096936.db2.gz KXEZDYKBGROGDJ-QGZVFWFLSA-N 2 1 287.407 2.405 20 0 CEADMP CC1=NO[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000895308367 630096940 /nfs/dbraw/zinc/09/69/40/630096940.db2.gz KXEZDYKBGROGDJ-QGZVFWFLSA-N 2 1 287.407 2.405 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnn(CCF)c1 ZINC000895508072 630221744 /nfs/dbraw/zinc/22/17/44/630221744.db2.gz DTDCJPPLVDETPJ-HOCLYGCPSA-N 2 1 296.434 2.405 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnn(CCF)c1 ZINC000895508072 630221745 /nfs/dbraw/zinc/22/17/45/630221745.db2.gz DTDCJPPLVDETPJ-HOCLYGCPSA-N 2 1 296.434 2.405 20 0 CEADMP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000895601364 630266833 /nfs/dbraw/zinc/26/68/33/630266833.db2.gz YEQCARMSOKYCPL-HNNXBMFYSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1[nH+]ccc(N[C@H]2CC[N@@H+](C)[C@@H]2C)c1Br ZINC000895734157 630325030 /nfs/dbraw/zinc/32/50/30/630325030.db2.gz IQTPHRGRTPLEHI-ZJUUUORDSA-N 2 1 284.201 2.079 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902744851 634806426 /nfs/dbraw/zinc/80/64/26/634806426.db2.gz HNODKXVIWQHLGB-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000895855174 630378118 /nfs/dbraw/zinc/37/81/18/630378118.db2.gz ORVMYIMTJVRABO-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000895855174 630378121 /nfs/dbraw/zinc/37/81/21/630378121.db2.gz ORVMYIMTJVRABO-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000895855174 630378123 /nfs/dbraw/zinc/37/81/23/630378123.db2.gz ORVMYIMTJVRABO-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP COc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)o1 ZINC000896002738 630434038 /nfs/dbraw/zinc/43/40/38/630434038.db2.gz PUNMPXOOEBEGHS-CYBMUJFWSA-N 2 1 287.363 2.394 20 0 CEADMP COc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)o1 ZINC000896002738 630434040 /nfs/dbraw/zinc/43/40/40/630434040.db2.gz PUNMPXOOEBEGHS-CYBMUJFWSA-N 2 1 287.363 2.394 20 0 CEADMP CCO[C@@H](CNc1[nH+]ccc2c(N)cccc21)C[NH+](C)C ZINC000896110814 630472816 /nfs/dbraw/zinc/47/28/16/630472816.db2.gz CVRMHFFKPUHAHM-LBPRGKRZSA-N 2 1 288.395 2.196 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000896445493 630567916 /nfs/dbraw/zinc/56/79/16/630567916.db2.gz REZZFHYJZBEVMR-OAHLLOKOSA-N 2 1 295.471 2.288 20 0 CEADMP c1cc(NC[C@H]2CC[N@H+]2C2CCOCC2)c(C2CC2)c[nH+]1 ZINC000896526135 630590108 /nfs/dbraw/zinc/59/01/08/630590108.db2.gz UBAIHIZQTKZWOO-OAHLLOKOSA-N 2 1 287.407 2.046 20 0 CEADMP C[NH+](C)C1(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)CCOCC1 ZINC000902804070 634829030 /nfs/dbraw/zinc/82/90/30/634829030.db2.gz MMPOKSHDKFNBEE-KBPBESRZSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CSC[C@@H]1C ZINC000796400853 630795390 /nfs/dbraw/zinc/79/53/90/630795390.db2.gz ZKYGTJKVJWLKDP-NTZNESFSSA-N 2 1 253.415 2.169 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2ccccn2)C1 ZINC000799196551 630996765 /nfs/dbraw/zinc/99/67/65/630996765.db2.gz TVILBWKAUDILTQ-LSDHHAIUSA-N 2 1 259.397 2.355 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799196551 630996768 /nfs/dbraw/zinc/99/67/68/630996768.db2.gz TVILBWKAUDILTQ-LSDHHAIUSA-N 2 1 259.397 2.355 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799196551 630996773 /nfs/dbraw/zinc/99/67/73/630996773.db2.gz TVILBWKAUDILTQ-LSDHHAIUSA-N 2 1 259.397 2.355 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@]2(C)CCC[NH2+]C2)C[C@H]1C ZINC000904341489 635578864 /nfs/dbraw/zinc/57/88/64/635578864.db2.gz SCFYOIYWRJTEIQ-OWCLPIDISA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1CN(C[C@H]([NH3+])CCC(C)(C)C)[C@@H](C)C[N@H+]1C ZINC000904341168 635578895 /nfs/dbraw/zinc/57/88/95/635578895.db2.gz JVPVGASPTAAYKI-HZSPNIEDSA-N 2 1 255.450 2.164 20 0 CEADMP C[C@@H](NCC[N@@H+]1CC[C@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925197362 631169330 /nfs/dbraw/zinc/16/93/30/631169330.db2.gz MBILVNQLXNKTAN-LSDHHAIUSA-N 2 1 299.422 2.260 20 0 CEADMP C[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925197362 631169332 /nfs/dbraw/zinc/16/93/32/631169332.db2.gz MBILVNQLXNKTAN-LSDHHAIUSA-N 2 1 299.422 2.260 20 0 CEADMP C[NH+](C)CC1(CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CCCC1 ZINC000897388811 631272118 /nfs/dbraw/zinc/27/21/18/631272118.db2.gz BHBNXYGKDJJXGQ-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc(Cl)nc1 ZINC000925271854 631517005 /nfs/dbraw/zinc/51/70/05/631517005.db2.gz JSZJHXFCXOREAC-NNQSOWQGSA-N 2 1 279.815 2.207 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@H](C)[C@@H](C)C2=O)CC1 ZINC000840003826 631572631 /nfs/dbraw/zinc/57/26/31/631572631.db2.gz NYMIDCAMLXQUAY-LSDHHAIUSA-N 2 1 295.471 2.111 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000843128598 631767720 /nfs/dbraw/zinc/76/77/20/631767720.db2.gz KMFPYQFTHYBASM-RQJHMYQMSA-N 2 1 298.740 2.308 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCN1C(C)(C)C ZINC000897608094 631815718 /nfs/dbraw/zinc/81/57/18/631815718.db2.gz KIYFJHKFRINJJW-ZIAGYGMSSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000897608094 631815720 /nfs/dbraw/zinc/81/57/20/631815720.db2.gz KIYFJHKFRINJJW-ZIAGYGMSSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000897608094 631815723 /nfs/dbraw/zinc/81/57/23/631815723.db2.gz KIYFJHKFRINJJW-ZIAGYGMSSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897608094 631815725 /nfs/dbraw/zinc/81/57/25/631815725.db2.gz KIYFJHKFRINJJW-ZIAGYGMSSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897608094 631815732 /nfs/dbraw/zinc/81/57/32/631815732.db2.gz KIYFJHKFRINJJW-ZIAGYGMSSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]1CC2(CC([NH2+]Cc3ncc(C[NH+](C)C)s3)C2)CO1 ZINC000897776710 631904642 /nfs/dbraw/zinc/90/46/42/631904642.db2.gz VHSQQVDOIIWXGP-BZUNDVKYSA-N 2 1 295.452 2.252 20 0 CEADMP C[C@@H]1CC2(CC([NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)C2)CO1 ZINC000897776892 631904738 /nfs/dbraw/zinc/90/47/38/631904738.db2.gz YTYYZZVMQJDJFW-NOZYUVCASA-N 2 1 266.429 2.406 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc([C@@H](C)O)s2)C1 ZINC000809611847 632110908 /nfs/dbraw/zinc/11/09/08/632110908.db2.gz RCJVMSZLQJPREE-NEPJUHHUSA-N 2 1 283.441 2.018 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc([C@@H](C)O)s2)C1 ZINC000809611847 632110911 /nfs/dbraw/zinc/11/09/11/632110911.db2.gz RCJVMSZLQJPREE-NEPJUHHUSA-N 2 1 283.441 2.018 20 0 CEADMP Cc1ncccc1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000898253601 632124437 /nfs/dbraw/zinc/12/44/37/632124437.db2.gz QAYPREYTERZISR-UHFFFAOYSA-N 2 1 290.436 2.240 20 0 CEADMP CON1CCC([NH2+]CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000323091109 632282205 /nfs/dbraw/zinc/28/22/05/632282205.db2.gz YIABTDDHEFFMSE-UHFFFAOYSA-N 2 1 291.439 2.124 20 0 CEADMP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000866487636 632315460 /nfs/dbraw/zinc/31/54/60/632315460.db2.gz DCGPEWUNGUWOEW-QSLWVIQJSA-N 2 1 254.443 2.343 20 0 CEADMP CCO[C@H](C[NH2+]C1CCC(CSC)CC1)C[NH+](C)C ZINC000926961575 632388664 /nfs/dbraw/zinc/38/86/64/632388664.db2.gz PJSRGDPTMURYFI-YMAMQOFZSA-N 2 1 288.501 2.465 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@H]1CCCF)C[NH+](C)C ZINC000926962061 632390434 /nfs/dbraw/zinc/39/04/34/632390434.db2.gz QKYZFUDEXVNPFL-RRFJBIMHSA-N 2 1 274.424 2.461 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000873234426 632411251 /nfs/dbraw/zinc/41/12/51/632411251.db2.gz FCNDAVWHZKODGQ-MGPQQGTHSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCc2cccc3c2OCCO3)CC[N@H+]1C ZINC000927094390 632459330 /nfs/dbraw/zinc/45/93/30/632459330.db2.gz VKEIDWSBAUGTFY-DZGCQCFKSA-N 2 1 290.407 2.073 20 0 CEADMP C[C@@H](NC(=[NH2+])NCCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000899263520 632767303 /nfs/dbraw/zinc/76/73/03/632767303.db2.gz BCQJLEOKDJJKKY-CHWSQXEVSA-N 2 1 266.433 2.163 20 0 CEADMP Cc1[nH+]c(N)ccc1-c1ccc2c(c1)CC[C@H]([NH3+])C2 ZINC000899322055 632783720 /nfs/dbraw/zinc/78/37/20/632783720.db2.gz CRGDLBGRBMLPOJ-AWEZNQCLSA-N 2 1 253.349 2.455 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815144980 632972202 /nfs/dbraw/zinc/97/22/02/632972202.db2.gz MHALYYLGGILRIF-INIZCTEOSA-N 2 1 282.428 2.138 20 0 CEADMP CCCCOC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000815144980 632972204 /nfs/dbraw/zinc/97/22/04/632972204.db2.gz MHALYYLGGILRIF-INIZCTEOSA-N 2 1 282.428 2.138 20 0 CEADMP CCCCOC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000815144980 632972210 /nfs/dbraw/zinc/97/22/10/632972210.db2.gz MHALYYLGGILRIF-INIZCTEOSA-N 2 1 282.428 2.138 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@]1(C)CCCO1 ZINC000815579762 633033144 /nfs/dbraw/zinc/03/31/44/633033144.db2.gz UGWOIOJGEPPCCF-XIRDDKMYSA-N 2 1 296.455 2.177 20 0 CEADMP C[NH2+][C@H](C)Cc1noc([C@H]([NH3+])C2CCCCCC2)n1 ZINC000900008585 633172072 /nfs/dbraw/zinc/17/20/72/633172072.db2.gz MHMCNAOVVMYETE-ZWNOBZJWSA-N 2 1 266.389 2.190 20 0 CEADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000900080058 633397587 /nfs/dbraw/zinc/39/75/87/633397587.db2.gz ABUZQWFNRITTBJ-HNNXBMFYSA-N 2 1 295.471 2.190 20 0 CEADMP c1[nH+]cn2cc(CNc3nc(N4CCCC4)cc[nH+]3)ccc12 ZINC000840332127 633419338 /nfs/dbraw/zinc/41/93/38/633419338.db2.gz UKWLARRWYHBOHR-UHFFFAOYSA-N 2 1 294.362 2.337 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCC=CO3)C2)C1 ZINC000816641909 633454693 /nfs/dbraw/zinc/45/46/93/633454693.db2.gz JTPNDCRBWXQGQT-LSDHHAIUSA-N 2 1 250.386 2.097 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CCC=CO3)C2)C1 ZINC000816641909 633454696 /nfs/dbraw/zinc/45/46/96/633454696.db2.gz JTPNDCRBWXQGQT-LSDHHAIUSA-N 2 1 250.386 2.097 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3CCC=CO3)C2)C1 ZINC000816641909 633454699 /nfs/dbraw/zinc/45/46/99/633454699.db2.gz JTPNDCRBWXQGQT-LSDHHAIUSA-N 2 1 250.386 2.097 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1cccnc1 ZINC000817891554 633753849 /nfs/dbraw/zinc/75/38/49/633753849.db2.gz CSUWRBHBLUWZAF-WMLDXEAASA-N 2 1 285.391 2.009 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000817893645 633755471 /nfs/dbraw/zinc/75/54/71/633755471.db2.gz HVZYHPBZLVYWSP-CVEARBPZSA-N 2 1 287.407 2.173 20 0 CEADMP C[C@H]([NH2+]CCCOc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000817898583 633759620 /nfs/dbraw/zinc/75/96/20/633759620.db2.gz JMPNWUYCXKEHKC-JSGCOSHPSA-N 2 1 266.360 2.325 20 0 CEADMP N[C@@H]1CCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900372 633760754 /nfs/dbraw/zinc/76/07/54/633760754.db2.gz MOFBXROFPHQLMC-FJBKBRRZSA-N 2 1 265.445 2.253 20 0 CEADMP C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1c[nH+]ccc1N ZINC000817912369 633769846 /nfs/dbraw/zinc/76/98/46/633769846.db2.gz GNTLTCBKJFUADR-IINYFYTJSA-N 2 1 277.393 2.114 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[N@H+]1CCC[C@H]1C ZINC000817912959 633770794 /nfs/dbraw/zinc/77/07/94/633770794.db2.gz LDGWORGNZMYZHN-BZUAXINKSA-N 2 1 267.461 2.371 20 0 CEADMP CC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817913688 633772378 /nfs/dbraw/zinc/77/23/78/633772378.db2.gz QRVYCKNOGBFEGE-HRCADAONSA-N 2 1 262.397 2.014 20 0 CEADMP CC[C@@H]([NH2+]CCc1cnc(C)s1)[C@@H]1CCC[NH2+]1 ZINC000817915236 633774397 /nfs/dbraw/zinc/77/43/97/633774397.db2.gz JJCPTWAKNQLGQY-OLZOCXBDSA-N 2 1 253.415 2.114 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)[C@@H]1CCC[NH2+]1 ZINC000817917691 633776838 /nfs/dbraw/zinc/77/68/38/633776838.db2.gz CLYSEZPBFRUGBZ-ZNMIVQPWSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950602 633796235 /nfs/dbraw/zinc/79/62/35/633796235.db2.gz YRFOUPZGOXZVRO-HNAYVOBHSA-N 3 1 297.446 2.236 20 0 CEADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950602 633796237 /nfs/dbraw/zinc/79/62/37/633796237.db2.gz YRFOUPZGOXZVRO-HNAYVOBHSA-N 2 1 297.446 2.236 20 0 CEADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2c(c1)CCO2 ZINC000817960638 633803284 /nfs/dbraw/zinc/80/32/84/633803284.db2.gz ONCCGWFCVZCPDE-HUUCEWRRSA-N 2 1 260.381 2.400 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000817962227 633805258 /nfs/dbraw/zinc/80/52/58/633805258.db2.gz JPIVNGSJNJMWIW-HTQZYQBOSA-N 2 1 290.180 2.229 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817979989 633823114 /nfs/dbraw/zinc/82/31/14/633823114.db2.gz QVHCTYQGKLPRIK-AVGNSLFASA-N 2 1 291.395 2.420 20 0 CEADMP c1[nH]nc2c1[C@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CCC2 ZINC000817985089 633828595 /nfs/dbraw/zinc/82/85/95/633828595.db2.gz GWFSULJFOCOTJO-DGCLKSJQSA-N 2 1 260.385 2.051 20 0 CEADMP CCCCCCNC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000818339680 633911764 /nfs/dbraw/zinc/91/17/64/633911764.db2.gz CRWYYUPXOBWIHI-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP CCCCCC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000818971689 634020437 /nfs/dbraw/zinc/02/04/37/634020437.db2.gz BBYRCXJLGTWXHB-ZBFHGGJFSA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000818985323 634029141 /nfs/dbraw/zinc/02/91/41/634029141.db2.gz QZTZYGRGIZAYAL-OAHLLOKOSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)C1=CC[N@@H+](C)CC1 ZINC000819220276 634107787 /nfs/dbraw/zinc/10/77/87/634107787.db2.gz LIFFIVQGYWSISG-MEDUHNTESA-N 2 1 296.361 2.238 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2cccc(F)c2)C1 ZINC000819366143 634156907 /nfs/dbraw/zinc/15/69/07/634156907.db2.gz KALABCLOSYBNHI-CJNGLKHVSA-N 2 1 280.387 2.181 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1COc2ccccc2C1 ZINC000902896090 634885542 /nfs/dbraw/zinc/88/55/42/634885542.db2.gz HIBVDRZWYQLUGO-YOEHRIQHSA-N 2 1 286.419 2.478 20 0 CEADMP CCCn1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)nn1 ZINC000903018163 634928233 /nfs/dbraw/zinc/92/82/33/634928233.db2.gz YCOGPPQCWBNEIK-ZIAGYGMSSA-N 2 1 279.432 2.071 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)[C@H]1C ZINC000903076440 634958096 /nfs/dbraw/zinc/95/80/96/634958096.db2.gz PZJIJHGQXCMIQD-WBTNSWJXSA-N 2 1 282.472 2.494 20 0 CEADMP CC/C(C)=C/C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000822721662 634980494 /nfs/dbraw/zinc/98/04/94/634980494.db2.gz XOZBSSZNVBOJAG-ACCUITESSA-N 2 1 288.395 2.128 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCSC1)C2 ZINC000903122564 634981207 /nfs/dbraw/zinc/98/12/07/634981207.db2.gz ZYFLMFCQZQCQDQ-CRMUJIHISA-N 2 1 252.427 2.239 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCOC23CCCC3)CCCO1 ZINC000903158509 634993108 /nfs/dbraw/zinc/99/31/08/634993108.db2.gz BDTOVFVNQZVWTM-CVEARBPZSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903160391 634993952 /nfs/dbraw/zinc/99/39/52/634993952.db2.gz LGVJIGYZWISOCZ-SITCHJJWSA-N 2 1 264.413 2.159 20 0 CEADMP CC[NH+](CC)[C@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903166442 634994536 /nfs/dbraw/zinc/99/45/36/634994536.db2.gz XQSZTVANIAOTDW-ZBSSRIJBSA-N 2 1 279.472 2.464 20 0 CEADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](O)C(F)F ZINC000903178391 634999802 /nfs/dbraw/zinc/99/98/02/634999802.db2.gz HRNVDCFWHHWJGS-VHOZAYCISA-N 2 1 288.382 2.138 20 0 CEADMP CC(C)O[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCOC1 ZINC000903357171 635084241 /nfs/dbraw/zinc/08/42/41/635084241.db2.gz KJICLNARWYLOIW-ZBFHGGJFSA-N 2 1 284.444 2.033 20 0 CEADMP C[C@@H]1C[C@H](N[C@H](CC[NH+](C)C)c2cccnc2)CC[N@H+]1C ZINC000903384120 635094625 /nfs/dbraw/zinc/09/46/25/635094625.db2.gz QFIMLXNJAYOMKF-DJIMGWMZSA-N 2 1 290.455 2.147 20 0 CEADMP C[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430002 635113575 /nfs/dbraw/zinc/11/35/75/635113575.db2.gz MWCIRINZVFZHKP-ZBFHGGJFSA-N 2 1 284.407 2.432 20 0 CEADMP O[C@H]1c2ccccc2C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903440302 635119882 /nfs/dbraw/zinc/11/98/82/635119882.db2.gz NMRRJIJEKWRLES-GGJQXISOSA-N 2 1 298.430 2.392 20 0 CEADMP COC[C@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)C(C)C ZINC000903422318 635122766 /nfs/dbraw/zinc/12/27/66/635122766.db2.gz XZDPXPSIJAFHOJ-ZDUSSCGKSA-N 2 1 254.418 2.121 20 0 CEADMP CCc1cnc(C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)s1 ZINC000903445708 635130806 /nfs/dbraw/zinc/13/08/06/635130806.db2.gz NLEKREMYBYWVRE-MNOVXSKESA-N 2 1 253.415 2.265 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOC2CCSCC2)[C@@H]2CCC[C@@H]21 ZINC000903445888 635131819 /nfs/dbraw/zinc/13/18/19/635131819.db2.gz LLEMTWRHPGQVGQ-JYJNAYRXSA-N 2 1 298.496 2.361 20 0 CEADMP C[C@H](c1ccsc1)[NH+]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903456051 635138939 /nfs/dbraw/zinc/13/89/39/635138939.db2.gz DITXUIURZZWOFG-FMKPAKJESA-N 2 1 293.480 2.282 20 0 CEADMP C[C@@H]1COc2ccccc2C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457344 635140693 /nfs/dbraw/zinc/14/06/93/635140693.db2.gz QSARTEIVGLUGBM-NFAWXSAZSA-N 2 1 260.381 2.397 20 0 CEADMP COc1ccc([C@@H]2COCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903475682 635145026 /nfs/dbraw/zinc/14/50/26/635145026.db2.gz ACSIGFBMVBIDAG-KMFMINBZSA-N 2 1 290.407 2.196 20 0 CEADMP CC(C)CCOCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903486016 635149893 /nfs/dbraw/zinc/14/98/93/635149893.db2.gz RGFYLZABPKBNDC-CQSZACIVSA-N 2 1 254.418 2.313 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CCC1 ZINC000903481760 635150272 /nfs/dbraw/zinc/15/02/72/635150272.db2.gz LZNAHNAXPRXHGF-ZIAGYGMSSA-N 2 1 252.402 2.066 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000903482640 635150779 /nfs/dbraw/zinc/15/07/79/635150779.db2.gz NOQBRPIFHQZKJE-XYVMCAHJSA-N 3 1 293.499 2.462 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(O)ccc2Cl)C[C@H]1CC[NH3+] ZINC000903499321 635154006 /nfs/dbraw/zinc/15/40/06/635154006.db2.gz RBMIAKMJYOMCQJ-GHMZBOCLSA-N 2 1 268.788 2.462 20 0 CEADMP C=C/C=C\CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506435 635155203 /nfs/dbraw/zinc/15/52/03/635155203.db2.gz ULEMKWDIXCYFPD-VYRCICMXSA-N 2 1 275.440 2.019 20 0 CEADMP C=C/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506435 635155206 /nfs/dbraw/zinc/15/52/06/635155206.db2.gz ULEMKWDIXCYFPD-VYRCICMXSA-N 2 1 275.440 2.019 20 0 CEADMP C=C/C=C\CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506435 635155208 /nfs/dbraw/zinc/15/52/08/635155208.db2.gz ULEMKWDIXCYFPD-VYRCICMXSA-N 2 1 275.440 2.019 20 0 CEADMP CCCCc1noc([C@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903496908 635157641 /nfs/dbraw/zinc/15/76/41/635157641.db2.gz JTLQNXZEAUSNRK-FRRDWIJNSA-N 2 1 280.416 2.390 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903716980 635230628 /nfs/dbraw/zinc/23/06/28/635230628.db2.gz FPOOPHCZVOGVHT-XGUBFFRZSA-N 2 1 252.402 2.018 20 0 CEADMP FC(F)(F)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903717928 635232516 /nfs/dbraw/zinc/23/25/16/635232516.db2.gz GAWLOLNAQIJZOM-AGIUHOORSA-N 2 1 292.345 2.029 20 0 CEADMP CC[N@H+](Cc1ccccc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717708 635232695 /nfs/dbraw/zinc/23/26/95/635232695.db2.gz SZLOMCOQDVYDLV-IRXDYDNUSA-N 2 1 274.408 2.277 20 0 CEADMP C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903722166 635234695 /nfs/dbraw/zinc/23/46/95/635234695.db2.gz IBRJXLONIQOJSZ-NVXWUHKLSA-N 2 1 276.424 2.259 20 0 CEADMP CCC(CC)[N@@H+](CCOC)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722729 635236387 /nfs/dbraw/zinc/23/63/87/635236387.db2.gz OGLMHMOWMLADQX-MRXNPFEDSA-N 2 1 298.471 2.282 20 0 CEADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723556 635237766 /nfs/dbraw/zinc/23/77/66/635237766.db2.gz ILQUHDRHXMVREM-GJZGRUSLSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H]1C ZINC000903725871 635238712 /nfs/dbraw/zinc/23/87/12/635238712.db2.gz INTWEEILTFHBLH-ILXRZTDVSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903728396 635239114 /nfs/dbraw/zinc/23/91/14/635239114.db2.gz AJEDPFXJRXNPTP-XHSDSOJGSA-N 2 1 266.429 2.123 20 0 CEADMP CCC1(CC)CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903730804 635241725 /nfs/dbraw/zinc/24/17/25/635241725.db2.gz ZKPLQAXKSWTKLU-GOEBONIOSA-N 2 1 266.429 2.267 20 0 CEADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CCCC2(CCOCC2)C1 ZINC000903730426 635242423 /nfs/dbraw/zinc/24/24/23/635242423.db2.gz WEBIHPQIGCFZJR-OAHLLOKOSA-N 2 1 266.429 2.269 20 0 CEADMP CC1([NH3+])CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000903745809 635245392 /nfs/dbraw/zinc/24/53/92/635245392.db2.gz RLAPUCHLRRKCMQ-WDEREUQCSA-N 2 1 280.334 2.300 20 0 CEADMP C[N@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@H](CN)C1CC1 ZINC000903749399 635248029 /nfs/dbraw/zinc/24/80/29/635248029.db2.gz KQGIAPUNYGXMKF-QJPTWQEYSA-N 2 1 280.334 2.156 20 0 CEADMP C[N@@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@H](CN)C1CC1 ZINC000903749399 635248034 /nfs/dbraw/zinc/24/80/34/635248034.db2.gz KQGIAPUNYGXMKF-QJPTWQEYSA-N 2 1 280.334 2.156 20 0 CEADMP C[N@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@H](C[NH3+])C1CC1 ZINC000903749399 635248037 /nfs/dbraw/zinc/24/80/37/635248037.db2.gz KQGIAPUNYGXMKF-QJPTWQEYSA-N 2 1 280.334 2.156 20 0 CEADMP C[N@@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@H](C[NH3+])C1CC1 ZINC000903749399 635248040 /nfs/dbraw/zinc/24/80/40/635248040.db2.gz KQGIAPUNYGXMKF-QJPTWQEYSA-N 2 1 280.334 2.156 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903752411 635249141 /nfs/dbraw/zinc/24/91/41/635249141.db2.gz NTATYIXGHNMJMT-DCAQKATOSA-N 2 1 282.350 2.449 20 0 CEADMP [NH3+]C[C@H]([NH2+]CCOC1CCSCC1)C1CCCCC1 ZINC000903751627 635249228 /nfs/dbraw/zinc/24/92/28/635249228.db2.gz HVUXOHYLNFEJTM-HNNXBMFYSA-N 2 1 286.485 2.396 20 0 CEADMP Fc1cccc([C@@H]2CC[N@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903733914 635250375 /nfs/dbraw/zinc/25/03/75/635250375.db2.gz MWAAFTOSGPOZMX-IXDOHACOSA-N 2 1 290.382 2.341 20 0 CEADMP CC(C)[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCC1 ZINC000903733975 635250654 /nfs/dbraw/zinc/25/06/54/635250654.db2.gz NVJLUNZZKZEJNO-HNNXBMFYSA-N 2 1 266.429 2.408 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCCC[NH2+]C1 ZINC000903739590 635253711 /nfs/dbraw/zinc/25/37/11/635253711.db2.gz MLBCDRJVOAYDNA-HOTGVXAUSA-N 3 1 267.461 2.182 20 0 CEADMP CCCCOC(=O)[C@@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790828 635262176 /nfs/dbraw/zinc/26/21/76/635262176.db2.gz CGSNGOFKUCGASM-CYBMUJFWSA-N 2 1 284.444 2.415 20 0 CEADMP CC1CC(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000903781944 635267665 /nfs/dbraw/zinc/26/76/65/635267665.db2.gz XWJSUWZJJQUVHV-WFBLGPOFSA-N 2 1 250.308 2.102 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C[C@H]1CC[NH3+] ZINC000903784409 635268901 /nfs/dbraw/zinc/26/89/01/635268901.db2.gz OCFIPLJIPDJOJL-FVCCEPFGSA-N 2 1 294.361 2.403 20 0 CEADMP Fc1ccc(OCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Cl ZINC000903789284 635271107 /nfs/dbraw/zinc/27/11/07/635271107.db2.gz WCVIAGBDMSRSKV-NWDGAFQWSA-N 2 1 298.789 2.399 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCOC[C@@H]2CCCO2)CCC1 ZINC000903815645 635272005 /nfs/dbraw/zinc/27/20/05/635272005.db2.gz SKUUSXGJIUVFMQ-HOTGVXAUSA-N 2 1 296.455 2.166 20 0 CEADMP CC(C)CCOCC[N@@H+]1CCC[C@H]2CC[C@]21CN ZINC000903798630 635276112 /nfs/dbraw/zinc/27/61/12/635276112.db2.gz OIOAPOUUOHNQQO-GJZGRUSLSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC[C@H]2CC[C@]21CN ZINC000903798630 635276117 /nfs/dbraw/zinc/27/61/17/635276117.db2.gz OIOAPOUUOHNQQO-GJZGRUSLSA-N 2 1 254.418 2.252 20 0 CEADMP NC[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1CCC2(CCC2)O1 ZINC000903802039 635277964 /nfs/dbraw/zinc/27/79/64/635277964.db2.gz QPYIHWYSJQLPKY-OFQRWUPVSA-N 2 1 264.413 2.291 20 0 CEADMP NC[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1CCC2(CCC2)O1 ZINC000903802039 635277967 /nfs/dbraw/zinc/27/79/67/635277967.db2.gz QPYIHWYSJQLPKY-OFQRWUPVSA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1CCC2(CCC2)O1 ZINC000903802039 635277971 /nfs/dbraw/zinc/27/79/71/635277971.db2.gz QPYIHWYSJQLPKY-OFQRWUPVSA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1CCC2(CCC2)O1 ZINC000903802039 635277976 /nfs/dbraw/zinc/27/79/76/635277976.db2.gz QPYIHWYSJQLPKY-OFQRWUPVSA-N 2 1 264.413 2.291 20 0 CEADMP C[N@H+](CCOC1CCCCCC1)C1(C[NH3+])CCOCC1 ZINC000903808555 635281692 /nfs/dbraw/zinc/28/16/92/635281692.db2.gz MCCNYAASHAIJRE-UHFFFAOYSA-N 2 1 284.444 2.166 20 0 CEADMP C[N@@H+](CCOC1CCCCCC1)C1(C[NH3+])CCOCC1 ZINC000903808555 635281699 /nfs/dbraw/zinc/28/16/99/635281699.db2.gz MCCNYAASHAIJRE-UHFFFAOYSA-N 2 1 284.444 2.166 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)nn1C ZINC000903811529 635285142 /nfs/dbraw/zinc/28/51/42/635285142.db2.gz MIVXHTJXJQBKAG-OAHLLOKOSA-N 2 1 276.428 2.212 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)nn1C ZINC000903811529 635285146 /nfs/dbraw/zinc/28/51/46/635285146.db2.gz MIVXHTJXJQBKAG-OAHLLOKOSA-N 2 1 276.428 2.212 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903813207 635287955 /nfs/dbraw/zinc/28/79/55/635287955.db2.gz ZBYRIQLBLQRJNE-KKUMJFAQSA-N 2 1 266.429 2.395 20 0 CEADMP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818421 635288361 /nfs/dbraw/zinc/28/83/61/635288361.db2.gz KUJIYBJAJJIASD-OWCLPIDISA-N 2 1 278.440 2.267 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000903832399 635296752 /nfs/dbraw/zinc/29/67/52/635296752.db2.gz QTYFWOCNMVSXRK-HZPDHXFCSA-N 2 1 273.424 2.197 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCCOc1ccc(F)cc1 ZINC000903856154 635307912 /nfs/dbraw/zinc/30/79/12/635307912.db2.gz QQNQNHHLHLZZEQ-CZUORRHYSA-N 2 1 278.371 2.408 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCCOc1ccc(F)cc1 ZINC000903856154 635307921 /nfs/dbraw/zinc/30/79/21/635307921.db2.gz QQNQNHHLHLZZEQ-CZUORRHYSA-N 2 1 278.371 2.408 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@H]1CCC2(CCCC2)O1 ZINC000903857926 635308768 /nfs/dbraw/zinc/30/87/68/635308768.db2.gz GRLIWGKJIWJMIY-SQWLQELKSA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@H]1CCC2(CCCC2)O1 ZINC000903857926 635308775 /nfs/dbraw/zinc/30/87/75/635308775.db2.gz GRLIWGKJIWJMIY-SQWLQELKSA-N 2 1 264.413 2.291 20 0 CEADMP C[C@H](c1ccccc1)[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903876792 635323278 /nfs/dbraw/zinc/32/32/78/635323278.db2.gz ISZVPBOPQWWXTJ-GDBMZVCRSA-N 2 1 299.422 2.396 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903876792 635323282 /nfs/dbraw/zinc/32/32/82/635323282.db2.gz ISZVPBOPQWWXTJ-GDBMZVCRSA-N 2 1 299.422 2.396 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903876794 635323829 /nfs/dbraw/zinc/32/38/29/635323829.db2.gz ISZVPBOPQWWXTJ-HOCLYGCPSA-N 2 1 299.422 2.396 20 0 CEADMP C[C@@H](c1ccccc1)[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903876794 635323837 /nfs/dbraw/zinc/32/38/37/635323837.db2.gz ISZVPBOPQWWXTJ-HOCLYGCPSA-N 2 1 299.422 2.396 20 0 CEADMP CCCCC[N@@H+](CCO)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903879069 635323891 /nfs/dbraw/zinc/32/38/91/635323891.db2.gz RLHVVQOOWJORHD-GOOCMWNKSA-N 2 1 254.418 2.002 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2CC(C)C)cnn1C ZINC000903884362 635325663 /nfs/dbraw/zinc/32/56/63/635325663.db2.gz XTBRPNHQZZOLPU-NVXWUHKLSA-N 2 1 292.471 2.356 20 0 CEADMP CCC(CC)C[N@@H+](CC)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903883785 635326594 /nfs/dbraw/zinc/32/65/94/635326594.db2.gz KCQONNUYBYSSFJ-OAHLLOKOSA-N 2 1 293.459 2.461 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903894587 635330424 /nfs/dbraw/zinc/33/04/24/635330424.db2.gz AEFMKUGAJXYCQB-HZPDHXFCSA-N 2 1 292.471 2.358 20 0 CEADMP COCC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1CC[C@H](C)C1 ZINC000903912918 635345895 /nfs/dbraw/zinc/34/58/95/635345895.db2.gz KDSUAPOQXBHJCE-QJPTWQEYSA-N 2 1 264.360 2.106 20 0 CEADMP [NH3+][C@@H](C[NH2+]C[C@H](O)c1ccc2ccccc2c1)CC(F)F ZINC000903919504 635348631 /nfs/dbraw/zinc/34/86/31/635348631.db2.gz DDZGNLNAGIKROE-CABCVRRESA-N 2 1 294.345 2.445 20 0 CEADMP [NH3+][C@H](C[NH2+]CCc1ccccc1Cl)CC(F)F ZINC000903919939 635348900 /nfs/dbraw/zinc/34/89/00/635348900.db2.gz GJHCCCWVAJVEJR-JTQLQIEISA-N 2 1 262.731 2.455 20 0 CEADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903921842 635349685 /nfs/dbraw/zinc/34/96/85/635349685.db2.gz REBYKQZEGDROEA-CABZTGNLSA-N 2 1 270.323 2.255 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000903930252 635356490 /nfs/dbraw/zinc/35/64/90/635356490.db2.gz VUWFHGLVKYCVNS-MUOSFQKXSA-N 2 1 278.440 2.408 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)CCC(C)(C)C)cnn1C ZINC000903931250 635357491 /nfs/dbraw/zinc/35/74/91/635357491.db2.gz BNPWXCRAGBWPMU-CQSZACIVSA-N 2 1 280.460 2.214 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cnn1C ZINC000903932269 635357873 /nfs/dbraw/zinc/35/78/73/635357873.db2.gz QBEFDOHRMCUIDP-VYDXJSESSA-N 2 1 290.455 2.110 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)cnn1C ZINC000903917278 635364786 /nfs/dbraw/zinc/36/47/86/635364786.db2.gz YFKFXGGSRDUIRP-HGTKMLMNSA-N 2 1 292.471 2.212 20 0 CEADMP COCc1ccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000903959501 635369441 /nfs/dbraw/zinc/36/94/41/635369441.db2.gz JAKOADAOKFYYGI-MRXNPFEDSA-N 2 1 278.396 2.392 20 0 CEADMP COCc1ccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000903959501 635369446 /nfs/dbraw/zinc/36/94/46/635369446.db2.gz JAKOADAOKFYYGI-MRXNPFEDSA-N 2 1 278.396 2.392 20 0 CEADMP Cc1ccc(F)cc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955655 635389125 /nfs/dbraw/zinc/38/91/25/635389125.db2.gz YIVOEBPBPCXWCF-LBPRGKRZSA-N 2 1 272.314 2.469 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1Br ZINC000903963993 635398119 /nfs/dbraw/zinc/39/81/19/635398119.db2.gz CYHMYOHJEKPRMJ-PWSUYJOCSA-N 2 1 283.213 2.394 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903968463 635400687 /nfs/dbraw/zinc/40/06/87/635400687.db2.gz WPBUPAUHRGLXLK-XYVMCAHJSA-N 2 1 287.451 2.267 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903968463 635400691 /nfs/dbraw/zinc/40/06/91/635400691.db2.gz WPBUPAUHRGLXLK-XYVMCAHJSA-N 2 1 287.451 2.267 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000903968343 635400768 /nfs/dbraw/zinc/40/07/68/635400768.db2.gz TWRQFEYCHYCXFJ-XLMAVXFVSA-N 3 1 293.499 2.475 20 0 CEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000903986248 635405025 /nfs/dbraw/zinc/40/50/25/635405025.db2.gz IHRPFEBHQPABFH-GYXIZQIFSA-N 3 1 279.472 2.371 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC)c(C)c2)C1 ZINC000904299725 635552361 /nfs/dbraw/zinc/55/23/61/635552361.db2.gz MSLXNVASSDPMMH-HNNXBMFYSA-N 2 1 290.407 2.213 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)c(C)c2)C1 ZINC000904299725 635552363 /nfs/dbraw/zinc/55/23/63/635552363.db2.gz MSLXNVASSDPMMH-HNNXBMFYSA-N 2 1 290.407 2.213 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000904298190 635552760 /nfs/dbraw/zinc/55/27/60/635552760.db2.gz UHMNKYNYUSEIEZ-SJORKVTESA-N 3 1 273.424 2.109 20 0 CEADMP [NH3+]Cc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000904298190 635552766 /nfs/dbraw/zinc/55/27/66/635552766.db2.gz UHMNKYNYUSEIEZ-SJORKVTESA-N 2 1 273.424 2.109 20 0 CEADMP CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904337437 635563031 /nfs/dbraw/zinc/56/30/31/635563031.db2.gz YZAZDUQCGZDRKF-XBXGTLAGSA-N 2 1 293.386 2.212 20 0 CEADMP Cn1cc(C[C@@H]2CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C2)cn1 ZINC000904326723 635571529 /nfs/dbraw/zinc/57/15/29/635571529.db2.gz RFHHCANSBIXCCA-GOEBONIOSA-N 2 1 292.471 2.438 20 0 CEADMP Cn1cc(C[C@@H]2CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C2)cn1 ZINC000904326723 635571533 /nfs/dbraw/zinc/57/15/33/635571533.db2.gz RFHHCANSBIXCCA-GOEBONIOSA-N 2 1 292.471 2.438 20 0 CEADMP COCCOC[C@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904325438 635572154 /nfs/dbraw/zinc/57/21/54/635572154.db2.gz ZJMZKNWQOHFFBE-GJZGRUSLSA-N 2 1 286.460 2.125 20 0 CEADMP COCCOC[C@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904325438 635572156 /nfs/dbraw/zinc/57/21/56/635572156.db2.gz ZJMZKNWQOHFFBE-GJZGRUSLSA-N 2 1 286.460 2.125 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904325414 635572284 /nfs/dbraw/zinc/57/22/84/635572284.db2.gz YMBHLOMLFMUJKF-HOTGVXAUSA-N 2 1 267.461 2.182 20 0 CEADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904328419 635573494 /nfs/dbraw/zinc/57/34/94/635573494.db2.gz DVNWPHZHDFJPCI-RHSMWYFYSA-N 2 1 296.455 2.287 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccc(C[NH3+])cc1)CC1CCCC1 ZINC000904349893 635583224 /nfs/dbraw/zinc/58/32/24/635583224.db2.gz FHCHYKXFMQLGAQ-UHFFFAOYSA-N 3 1 275.440 2.486 20 0 CEADMP C[C@@]1(C[N@H+](CCC[NH3+])CC2CCCC2)CCC[NH2+]C1 ZINC000904350474 635584396 /nfs/dbraw/zinc/58/43/96/635584396.db2.gz MJCVXHPGXCELSR-MRXNPFEDSA-N 3 1 267.461 2.217 20 0 CEADMP C[C@@]1(C[N@@H+](CCC[NH3+])CC2CCCC2)CCC[NH2+]C1 ZINC000904350474 635584399 /nfs/dbraw/zinc/58/43/99/635584399.db2.gz MJCVXHPGXCELSR-MRXNPFEDSA-N 3 1 267.461 2.217 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(C(=O)OC)c(C)c1 ZINC000904350116 635584609 /nfs/dbraw/zinc/58/46/09/635584609.db2.gz IKNWMDWTHSSVLM-CQSZACIVSA-N 2 1 278.396 2.389 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1C ZINC000904358467 635590431 /nfs/dbraw/zinc/59/04/31/635590431.db2.gz MQGXSGMIYXRXFL-AWEZNQCLSA-N 2 1 278.396 2.245 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904374510 635595490 /nfs/dbraw/zinc/59/54/90/635595490.db2.gz SJJLGIIWDNRCLS-HNNXBMFYSA-N 3 1 263.429 2.389 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000904364591 635596783 /nfs/dbraw/zinc/59/67/83/635596783.db2.gz ZDADPWFOCGWVGI-GJZGRUSLSA-N 2 1 290.455 2.404 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1C ZINC000904377044 635601913 /nfs/dbraw/zinc/60/19/13/635601913.db2.gz IBHOIQUGKXBBSU-UHFFFAOYSA-N 2 1 276.380 2.143 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC000904377534 635603377 /nfs/dbraw/zinc/60/33/77/635603377.db2.gz RYWWNJGDVPBWSW-DLBZAZTESA-N 3 1 279.472 2.088 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000904405442 635612330 /nfs/dbraw/zinc/61/23/30/635612330.db2.gz IQHNQPUCCRBLHD-JTQLQIEISA-N 2 1 251.399 2.191 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000904405776 635612484 /nfs/dbraw/zinc/61/24/84/635612484.db2.gz PKICNOMBHDOZRZ-SNVBAGLBSA-N 2 1 251.399 2.191 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000904407048 635615344 /nfs/dbraw/zinc/61/53/44/635615344.db2.gz MKRQOVAMGPLWNA-CYBMUJFWSA-N 2 1 258.365 2.133 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)CCO1 ZINC000904411953 635619360 /nfs/dbraw/zinc/61/93/60/635619360.db2.gz QRRWAPVRZYIOPF-KBUPBQIOSA-N 2 1 254.418 2.108 20 0 CEADMP C[C@@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)CC[C@@H]1C[NH3+] ZINC000904411287 635619467 /nfs/dbraw/zinc/61/94/67/635619467.db2.gz UBRMSSLVIBFHLJ-RHSMWYFYSA-N 2 1 288.435 2.471 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(C)n1 ZINC000904412530 635620515 /nfs/dbraw/zinc/62/05/15/635620515.db2.gz VSPAEFQOYJBKIV-JSGCOSHPSA-N 2 1 277.412 2.124 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416074 635621486 /nfs/dbraw/zinc/62/14/86/635621486.db2.gz GEPWJTOPTDXVLY-RDJZCZTQSA-N 2 1 281.488 2.462 20 0 CEADMP C[C@]1(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)CC[NH2+]C1 ZINC000904472726 635648633 /nfs/dbraw/zinc/64/86/33/635648633.db2.gz MQXIBTCWEFZUFF-PMPSAXMXSA-N 2 1 266.429 2.125 20 0 CEADMP [NH3+]C1(c2noc(-c3ccccc3CC3CC[NH2+]CC3)n2)CC1 ZINC000905324750 636222223 /nfs/dbraw/zinc/22/22/23/636222223.db2.gz QAMOVBONNQNQKN-UHFFFAOYSA-N 2 1 298.390 2.227 20 0 CEADMP CC(C)[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000827500024 636338035 /nfs/dbraw/zinc/33/80/35/636338035.db2.gz WIDRTTLCNUADQB-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC1CC=CC1 ZINC000905578672 636340204 /nfs/dbraw/zinc/34/02/04/636340204.db2.gz JVDBWPFAXMRBEK-GOSISDBHSA-N 2 1 288.435 2.425 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC1CC=CC1 ZINC000905578672 636340206 /nfs/dbraw/zinc/34/02/06/636340206.db2.gz JVDBWPFAXMRBEK-GOSISDBHSA-N 2 1 288.435 2.425 20 0 CEADMP CC[C@](O)(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C(F)(F)F ZINC000905939694 636534923 /nfs/dbraw/zinc/53/49/23/636534923.db2.gz GVXNRJHEYJBZEE-XQQFMLRXSA-N 2 1 294.361 2.106 20 0 CEADMP CC[C@](O)(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C(F)(F)F ZINC000905939694 636534925 /nfs/dbraw/zinc/53/49/25/636534925.db2.gz GVXNRJHEYJBZEE-XQQFMLRXSA-N 2 1 294.361 2.106 20 0 CEADMP CC[C@](O)(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C(F)(F)F ZINC000905939694 636534927 /nfs/dbraw/zinc/53/49/27/636534927.db2.gz GVXNRJHEYJBZEE-XQQFMLRXSA-N 2 1 294.361 2.106 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000907742775 637103925 /nfs/dbraw/zinc/10/39/25/637103925.db2.gz GVRXZKBSSBTSHH-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000831678106 637407823 /nfs/dbraw/zinc/40/78/23/637407823.db2.gz TXGFUMIXEPUEMB-KRWDZBQOSA-N 2 1 295.471 2.101 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000909050941 637587761 /nfs/dbraw/zinc/58/77/61/637587761.db2.gz FOMSPOMBYOJCDV-DLBZAZTESA-N 2 1 274.408 2.280 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000909050941 637587763 /nfs/dbraw/zinc/58/77/63/637587763.db2.gz FOMSPOMBYOJCDV-DLBZAZTESA-N 2 1 274.408 2.280 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000832750101 637659438 /nfs/dbraw/zinc/65/94/38/637659438.db2.gz JJFOCLUIIKNHQL-HUUCEWRRSA-N 2 1 283.460 2.084 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)n(C)n1 ZINC000834909195 637985050 /nfs/dbraw/zinc/98/50/50/637985050.db2.gz PMLIRSZKCDUKEL-CYBMUJFWSA-N 2 1 264.417 2.254 20 0 CEADMP C[C@@H]([NH3+])c1ccc(NC(=O)c2csc([C@H](C)[NH3+])n2)cc1 ZINC000911846904 638442819 /nfs/dbraw/zinc/44/28/19/638442819.db2.gz PUUPBQNVYXZUIX-BDAKNGLRSA-N 2 1 290.392 2.435 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000912281729 638628886 /nfs/dbraw/zinc/62/88/86/638628886.db2.gz BYQMLGAGIRSWGY-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000912281729 638628890 /nfs/dbraw/zinc/62/88/90/638628890.db2.gz BYQMLGAGIRSWGY-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000912281729 638628894 /nfs/dbraw/zinc/62/88/94/638628894.db2.gz BYQMLGAGIRSWGY-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000912296668 638634796 /nfs/dbraw/zinc/63/47/96/638634796.db2.gz MTJRVLIQLFQJNB-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000912296668 638634798 /nfs/dbraw/zinc/63/47/98/638634798.db2.gz MTJRVLIQLFQJNB-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000912296668 638634801 /nfs/dbraw/zinc/63/48/01/638634801.db2.gz MTJRVLIQLFQJNB-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)C[N@@H+](C)C1CCC1 ZINC000912649470 638753872 /nfs/dbraw/zinc/75/38/72/638753872.db2.gz VBPMYTIMKZKWMP-GOEBONIOSA-N 2 1 295.471 2.192 20 0 CEADMP Fc1cccc2cc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cnc12 ZINC000876818125 650446009 /nfs/dbraw/zinc/44/60/09/650446009.db2.gz PYQFFHHOYXXBDV-ZIAGYGMSSA-N 2 1 271.339 2.025 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913397283 639271737 /nfs/dbraw/zinc/27/17/37/639271737.db2.gz BUKQUYFNRJHCTG-UHFFFAOYSA-N 2 1 297.487 2.441 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226329772 639536996 /nfs/dbraw/zinc/53/69/96/639536996.db2.gz DYQGGLSIRHBLKS-GJZGRUSLSA-N 2 1 283.460 2.132 20 0 CEADMP C[C@H]([NH2+]Cc1cccnc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000841033510 639625629 /nfs/dbraw/zinc/62/56/29/639625629.db2.gz PQYZNONOZFOFCB-WDEREUQCSA-N 2 1 253.777 2.213 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC000228474401 639636105 /nfs/dbraw/zinc/63/61/05/639636105.db2.gz TVFHNCYFTLKEEP-YNEHKIRRSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC000228474401 639636110 /nfs/dbraw/zinc/63/61/10/639636110.db2.gz TVFHNCYFTLKEEP-YNEHKIRRSA-N 2 1 265.788 2.294 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccccc3c2)CC[NH2+]1 ZINC000841062969 639638424 /nfs/dbraw/zinc/63/84/24/639638424.db2.gz ZYKYUUSFPBBXQO-DOMZBBRYSA-N 2 1 255.365 2.465 20 0 CEADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CCC[NH2+][C@H]2C)CCO1 ZINC000841063845 639639349 /nfs/dbraw/zinc/63/93/49/639639349.db2.gz QRFAUHVRFFHTLP-XGUBFFRZSA-N 2 1 254.418 2.168 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000228968595 639667854 /nfs/dbraw/zinc/66/78/54/639667854.db2.gz AMLFFELSKNVVNW-RDBSUJKOSA-N 2 1 283.460 2.190 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H](C)Cc1ccnc(OC)c1)C(C)C ZINC000876996376 650523952 /nfs/dbraw/zinc/52/39/52/650523952.db2.gz RYJMOEBPDWQZAX-AWEZNQCLSA-N 2 1 279.428 2.341 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H](C)Cc1ccnc(OC)c1)C(C)C ZINC000876996376 650523954 /nfs/dbraw/zinc/52/39/54/650523954.db2.gz RYJMOEBPDWQZAX-AWEZNQCLSA-N 2 1 279.428 2.341 20 0 CEADMP C[N@@H+](C[C@@H](O)CC1CCCC1)C1CCC([NH3+])CC1 ZINC000232121732 639898944 /nfs/dbraw/zinc/89/89/44/639898944.db2.gz DUMQIUCRWJMLGG-NRXISQOPSA-N 2 1 254.418 2.129 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)C2CC2)cc1F ZINC000840746177 639993012 /nfs/dbraw/zinc/99/30/12/639993012.db2.gz AMHILAPUMZPMFV-INIZCTEOSA-N 2 1 289.354 2.180 20 0 CEADMP CC[C@H](CO)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000929647288 640007592 /nfs/dbraw/zinc/00/75/92/640007592.db2.gz PYVQIHDTLIDNAV-BZUAXINKSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H](CO)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000929647288 640007598 /nfs/dbraw/zinc/00/75/98/640007598.db2.gz PYVQIHDTLIDNAV-BZUAXINKSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H](CO)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000929647288 640007600 /nfs/dbraw/zinc/00/76/00/640007600.db2.gz PYVQIHDTLIDNAV-BZUAXINKSA-N 2 1 268.445 2.344 20 0 CEADMP COC[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(C)C ZINC000929695989 640021456 /nfs/dbraw/zinc/02/14/56/640021456.db2.gz JFYJVCGCXLCUTH-JKSUJKDBSA-N 2 1 268.445 2.323 20 0 CEADMP C[C@@H](c1nc([C@H]2CCC[NH2+]C2)no1)[NH+]1CCCCCC1 ZINC000842668492 640142707 /nfs/dbraw/zinc/14/27/07/640142707.db2.gz OOPUAOINRKARCP-STQMWFEESA-N 2 1 278.400 2.474 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000843046828 640250654 /nfs/dbraw/zinc/25/06/54/640250654.db2.gz BMAOVJFIDRVLBY-CYBMUJFWSA-N 2 1 255.365 2.406 20 0 CEADMP C[N@@H+](CCc1ccccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000843060416 640263554 /nfs/dbraw/zinc/26/35/54/640263554.db2.gz IFADCHUZNDRDTL-HNNXBMFYSA-N 2 1 250.361 2.300 20 0 CEADMP CCc1ccc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000843062004 640263797 /nfs/dbraw/zinc/26/37/97/640263797.db2.gz KHHWDBZUOHISJS-QGZVFWFLSA-N 2 1 287.451 2.371 20 0 CEADMP c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc2c1COC2 ZINC000843117719 640287018 /nfs/dbraw/zinc/28/70/18/640287018.db2.gz TWGHEYZVNBDPRE-KRWDZBQOSA-N 2 1 272.392 2.292 20 0 CEADMP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc2c1COC2 ZINC000843117719 640287020 /nfs/dbraw/zinc/28/70/20/640287020.db2.gz TWGHEYZVNBDPRE-KRWDZBQOSA-N 2 1 272.392 2.292 20 0 CEADMP CC(C)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000843358900 640402363 /nfs/dbraw/zinc/40/23/63/640402363.db2.gz BQUCNZBZBWQWHH-RHSMWYFYSA-N 2 1 294.414 2.427 20 0 CEADMP c1c[nH]c([C@H]2CCC[N@@H+]2CCCC2CC[NH2+]CC2)n1 ZINC000843389731 640414842 /nfs/dbraw/zinc/41/48/42/640414842.db2.gz PMZQYWNVLOVEKC-CQSZACIVSA-N 2 1 262.401 2.326 20 0 CEADMP Cc1ccc(N2CC[N@H+](C[C@@H]3CC[NH2+]C3)[C@H](C)C2)cc1C ZINC000844221950 640636275 /nfs/dbraw/zinc/63/62/75/640636275.db2.gz ZGCWQPGZBYUOMR-IAGOWNOFSA-N 2 1 287.451 2.423 20 0 CEADMP Cc1ccc(N2CC[N@@H+](C[C@@H]3CC[NH2+]C3)[C@H](C)C2)cc1C ZINC000844221950 640636279 /nfs/dbraw/zinc/63/62/79/640636279.db2.gz ZGCWQPGZBYUOMR-IAGOWNOFSA-N 2 1 287.451 2.423 20 0 CEADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994408786 640830966 /nfs/dbraw/zinc/83/09/66/640830966.db2.gz PEOBZRCPXOVNGX-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994408786 640830973 /nfs/dbraw/zinc/83/09/73/640830973.db2.gz PEOBZRCPXOVNGX-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ncco1 ZINC000925438014 640879222 /nfs/dbraw/zinc/87/92/22/640879222.db2.gz TZAPHFQJNCKUFE-MJBXVCDLSA-N 2 1 281.400 2.215 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ncco1 ZINC000925438014 640879226 /nfs/dbraw/zinc/87/92/26/640879226.db2.gz TZAPHFQJNCKUFE-MJBXVCDLSA-N 2 1 281.400 2.215 20 0 CEADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2cn3ccsc3n2)C1 ZINC000925472100 641080799 /nfs/dbraw/zinc/08/07/99/641080799.db2.gz AANGUFFOHPRKGL-QWRGUYRKSA-N 2 1 278.425 2.391 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000845943007 641134177 /nfs/dbraw/zinc/13/41/77/641134177.db2.gz XBEOFCBFWFKHCE-ZBFHGGJFSA-N 2 1 299.422 2.230 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000846221856 641231082 /nfs/dbraw/zinc/23/10/82/641231082.db2.gz GZMIXYMXYKYDQT-KBPBESRZSA-N 2 1 272.458 2.102 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000846221156 641231479 /nfs/dbraw/zinc/23/14/79/641231479.db2.gz UGSOKCUFJFGEPE-HNNXBMFYSA-N 2 1 254.418 2.254 20 0 CEADMP Cn1nccc1[C@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846224389 641232401 /nfs/dbraw/zinc/23/24/01/641232401.db2.gz WGAAVLPTVHDLSX-OAHLLOKOSA-N 2 1 264.417 2.466 20 0 CEADMP C[N@@H+](CC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)CC(C)(C)C ZINC000877256722 650644343 /nfs/dbraw/zinc/64/43/43/650644343.db2.gz CZZXAPHYLIEATQ-QGZVFWFLSA-N 2 1 297.487 2.188 20 0 CEADMP Cn1c[nH+]c2cc(NCC3CC[NH+](C)CC3)ccc21 ZINC000846747578 641409781 /nfs/dbraw/zinc/40/97/81/641409781.db2.gz NKWRHBIUPNODSG-UHFFFAOYSA-N 2 1 258.369 2.327 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3nonc3c2)[C@H](C)C1 ZINC000846828343 641442518 /nfs/dbraw/zinc/44/25/18/641442518.db2.gz KLDYRWCMJSJIRQ-WBMJQRKESA-N 2 1 288.395 2.385 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3nonc3c2)[C@H](C)C1 ZINC000846828343 641442525 /nfs/dbraw/zinc/44/25/25/641442525.db2.gz KLDYRWCMJSJIRQ-WBMJQRKESA-N 2 1 288.395 2.385 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3nonc3c2)[C@H](C)C1 ZINC000846828343 641442531 /nfs/dbraw/zinc/44/25/31/641442531.db2.gz KLDYRWCMJSJIRQ-WBMJQRKESA-N 2 1 288.395 2.385 20 0 CEADMP CCCCC[C@@H](C)NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000250811335 641554456 /nfs/dbraw/zinc/55/44/56/641554456.db2.gz HMHKVLRKKSEGIW-CABCVRRESA-N 2 1 283.460 2.275 20 0 CEADMP CCCCC[C@@H](C)NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000250811335 641554467 /nfs/dbraw/zinc/55/44/67/641554467.db2.gz HMHKVLRKKSEGIW-CABCVRRESA-N 2 1 283.460 2.275 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174222 641641984 /nfs/dbraw/zinc/64/19/84/641641984.db2.gz VYGXKSFOFSXSNJ-ZNMIVQPWSA-N 2 1 283.460 2.131 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174222 641641989 /nfs/dbraw/zinc/64/19/89/641641989.db2.gz VYGXKSFOFSXSNJ-ZNMIVQPWSA-N 2 1 283.460 2.131 20 0 CEADMP CC(C)c1ccccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000848528630 642036939 /nfs/dbraw/zinc/03/69/39/642036939.db2.gz HIQWLLDUGHUHCQ-INIZCTEOSA-N 2 1 276.424 2.356 20 0 CEADMP CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1(C)C ZINC000995872320 642079737 /nfs/dbraw/zinc/07/97/37/642079737.db2.gz NJZSLIBWIRYRKV-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])NCCc1cccs1 ZINC000848987585 642210096 /nfs/dbraw/zinc/21/00/96/642210096.db2.gz IUWCLHBZELXGBG-ZDUSSCGKSA-N 2 1 294.468 2.279 20 0 CEADMP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H](C)[NH+](C)C ZINC000848996680 642216495 /nfs/dbraw/zinc/21/64/95/642216495.db2.gz PKNQYYYKZZMCAS-STQMWFEESA-N 2 1 256.438 2.265 20 0 CEADMP CCCCCCNC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 ZINC000849004134 642220902 /nfs/dbraw/zinc/22/09/02/642220902.db2.gz AHGZRKBGFCSKEC-ZDUSSCGKSA-N 2 1 254.422 2.022 20 0 CEADMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCC2)[C@H]1c1cccs1 ZINC000849009997 642226596 /nfs/dbraw/zinc/22/65/96/642226596.db2.gz SCMQKEIFTUBCAA-OCCSQVGLSA-N 2 1 292.452 2.361 20 0 CEADMP CCCCNC(=[NH2+])NCC[N@H+]1CCCC(C)(C)C1 ZINC000849023170 642236614 /nfs/dbraw/zinc/23/66/14/642236614.db2.gz SEQLARAAUUTLEO-UHFFFAOYSA-N 2 1 254.422 2.022 20 0 CEADMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])Nc2ccccc2)C1 ZINC000849041058 642251431 /nfs/dbraw/zinc/25/14/31/642251431.db2.gz IYMGEPODRAGERI-ZDUSSCGKSA-N 2 1 260.385 2.355 20 0 CEADMP CS[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000921584960 642251711 /nfs/dbraw/zinc/25/17/11/642251711.db2.gz BGYRLANOEIDYPT-ZFWWWQNUSA-N 2 1 286.485 2.097 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[C@H]1C1CCC1 ZINC000849044448 642253991 /nfs/dbraw/zinc/25/39/91/642253991.db2.gz PPMMOXCKXHDGPS-KKUMJFAQSA-N 2 1 278.444 2.021 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[C@H]1C1CCC1 ZINC000849044449 642254214 /nfs/dbraw/zinc/25/42/14/642254214.db2.gz PPMMOXCKXHDGPS-ZNMIVQPWSA-N 2 1 278.444 2.021 20 0 CEADMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000849046857 642255682 /nfs/dbraw/zinc/25/56/82/642255682.db2.gz XUDXSSVQKHJEJO-IMJJTQAJSA-N 2 1 288.439 2.244 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000997947753 642346745 /nfs/dbraw/zinc/34/67/45/642346745.db2.gz FBAWTBPVXHXLMO-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000997947753 642346748 /nfs/dbraw/zinc/34/67/48/642346748.db2.gz FBAWTBPVXHXLMO-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCC(=O)O3)C2)CC1 ZINC000851741941 643139866 /nfs/dbraw/zinc/13/98/66/643139866.db2.gz PNIADDHSXOTPLV-HOTGVXAUSA-N 2 1 294.439 2.136 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCC(=O)O3)C2)CC1 ZINC000851741941 643139869 /nfs/dbraw/zinc/13/98/69/643139869.db2.gz PNIADDHSXOTPLV-HOTGVXAUSA-N 2 1 294.439 2.136 20 0 CEADMP CO[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000851784166 643160608 /nfs/dbraw/zinc/16/06/08/643160608.db2.gz HSOZEKLOVVXZNW-ARFHVFGLSA-N 2 1 266.429 2.362 20 0 CEADMP CCO[C@H](C[NH2+][C@H](C)Cc1ccccc1C)C[NH+](C)C ZINC000922754970 643245513 /nfs/dbraw/zinc/24/55/13/643245513.db2.gz WFEDWRSUBRZIIR-NVXWUHKLSA-N 2 1 278.440 2.482 20 0 CEADMP CCO[C@@H](C[NH2+]Cc1ccc(F)c(C)c1)CN(C)C ZINC000922756148 643246486 /nfs/dbraw/zinc/24/64/86/643246486.db2.gz GLXAXOBKZVXDBG-AWEZNQCLSA-N 2 1 268.376 2.190 20 0 CEADMP CCO[C@H](C[NH2+]C[C@@H]1CCOc2ccccc21)C[NH+](C)C ZINC000922757688 643247662 /nfs/dbraw/zinc/24/76/62/643247662.db2.gz JZMTWHDSWFQILY-LSDHHAIUSA-N 2 1 292.423 2.109 20 0 CEADMP CCO[C@H](C[NH2+]C[C@H]1CCOc2ccccc21)C[NH+](C)C ZINC000922757687 643248338 /nfs/dbraw/zinc/24/83/38/643248338.db2.gz JZMTWHDSWFQILY-HUUCEWRRSA-N 2 1 292.423 2.109 20 0 CEADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3nonc3c1)C2 ZINC000852108140 643311498 /nfs/dbraw/zinc/31/14/98/643311498.db2.gz VCSCOVBMDUPQQT-INIZCTEOSA-N 2 1 286.379 2.141 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3nonc3c1)C2 ZINC000852108140 643311506 /nfs/dbraw/zinc/31/15/06/643311506.db2.gz VCSCOVBMDUPQQT-INIZCTEOSA-N 2 1 286.379 2.141 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc3nonc3c1)C2 ZINC000852108140 643311510 /nfs/dbraw/zinc/31/15/10/643311510.db2.gz VCSCOVBMDUPQQT-INIZCTEOSA-N 2 1 286.379 2.141 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc3nonc3c1)C2 ZINC000852108140 643311517 /nfs/dbraw/zinc/31/15/17/643311517.db2.gz VCSCOVBMDUPQQT-INIZCTEOSA-N 2 1 286.379 2.141 20 0 CEADMP Cc1ccccc1[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000852109149 643311756 /nfs/dbraw/zinc/31/17/56/643311756.db2.gz WPICGCPNKRWLIS-ROUUACIJSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccccc1[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852109149 643311759 /nfs/dbraw/zinc/31/17/59/643311759.db2.gz WPICGCPNKRWLIS-ROUUACIJSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccccc1[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852109149 643311764 /nfs/dbraw/zinc/31/17/64/643311764.db2.gz WPICGCPNKRWLIS-ROUUACIJSA-N 2 1 288.435 2.446 20 0 CEADMP COCC[N@@H+](Cc1ccncc1F)CC1CC[NH+](C)CC1 ZINC000877664218 650839559 /nfs/dbraw/zinc/83/95/59/650839559.db2.gz KETRSNXECIQLRQ-UHFFFAOYSA-N 2 1 295.402 2.011 20 0 CEADMP COCC[N@H+](Cc1ccncc1F)CC1CC[NH+](C)CC1 ZINC000877664218 650839560 /nfs/dbraw/zinc/83/95/60/650839560.db2.gz KETRSNXECIQLRQ-UHFFFAOYSA-N 2 1 295.402 2.011 20 0 CEADMP COCC[N@@H+](CC=C(C)C)CC1CC[NH+](C)CC1 ZINC000877664073 650839972 /nfs/dbraw/zinc/83/99/72/650839972.db2.gz GLZWDEQCIBZFSG-UHFFFAOYSA-N 2 1 254.418 2.243 20 0 CEADMP Cc1ccc(NCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)nc1 ZINC000922923392 643454555 /nfs/dbraw/zinc/45/45/55/643454555.db2.gz BTFYJTMSAMIRPQ-CQSZACIVSA-N 2 1 276.428 2.264 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@]2(c3ccccc3)CCCO2)CC1 ZINC000922960001 643476837 /nfs/dbraw/zinc/47/68/37/643476837.db2.gz JPNZWBFYSCHGDK-KRWDZBQOSA-N 2 1 274.408 2.376 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000852744147 643529144 /nfs/dbraw/zinc/52/91/44/643529144.db2.gz SZDQOHZWQSYUKK-DZGCQCFKSA-N 2 1 254.418 2.252 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@H+](C2CC(OC(C)(C)C)C2)CCO1 ZINC000852762662 643542224 /nfs/dbraw/zinc/54/22/24/643542224.db2.gz SLXXWZSCZOTOGH-HWOWSKLDSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852859314 643580521 /nfs/dbraw/zinc/58/05/21/643580521.db2.gz RIISKNBGQISAGA-HNNXBMFYSA-N 2 1 293.455 2.067 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000923290580 643643319 /nfs/dbraw/zinc/64/33/19/643643319.db2.gz ZNFTXUQTYBYBNS-RWSFTLGLSA-N 2 1 284.350 2.057 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000923290580 643643324 /nfs/dbraw/zinc/64/33/24/643643324.db2.gz ZNFTXUQTYBYBNS-RWSFTLGLSA-N 2 1 284.350 2.057 20 0 CEADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000923300299 643645504 /nfs/dbraw/zinc/64/55/04/643645504.db2.gz QOUDTSRNYXGZEC-KGLIPLIRSA-N 2 1 288.794 2.476 20 0 CEADMP C[C@](C[NH3+])([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)C1CC1 ZINC000923295882 643647084 /nfs/dbraw/zinc/64/70/84/643647084.db2.gz JLYYORHKINIYOV-ZIAGYGMSSA-N 2 1 286.778 2.230 20 0 CEADMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923300464 643648080 /nfs/dbraw/zinc/64/80/80/643648080.db2.gz SSSZJCXVNJQHAG-INIZCTEOSA-N 2 1 274.408 2.276 20 0 CEADMP CCC1CCC([N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923304745 643651789 /nfs/dbraw/zinc/65/17/89/643651789.db2.gz UGECNMHAVYYBCO-NRXISQOPSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCC(C)(C)CC1 ZINC000923314555 643655150 /nfs/dbraw/zinc/65/51/50/643655150.db2.gz AZHVLJAXVPCHFI-AWEZNQCLSA-N 2 1 266.429 2.266 20 0 CEADMP O[C@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(F)cc1F ZINC000923328793 643659785 /nfs/dbraw/zinc/65/97/85/643659785.db2.gz VNIBONIJUHKOCQ-OAHLLOKOSA-N 2 1 296.361 2.074 20 0 CEADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923322686 643662516 /nfs/dbraw/zinc/66/25/16/643662516.db2.gz MWJSJYPEHRTUFL-DGCLKSJQSA-N 2 1 295.452 2.131 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000923333884 643667278 /nfs/dbraw/zinc/66/72/78/643667278.db2.gz YVPQNMUXGBBUMN-INIZCTEOSA-N 2 1 274.408 2.104 20 0 CEADMP CC[N@@H+](C[C@@H](O)CCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000923337013 643668857 /nfs/dbraw/zinc/66/88/57/643668857.db2.gz WSEBPXFSXDJSGU-MSOLQXFVSA-N 2 1 290.451 2.444 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923355264 643678319 /nfs/dbraw/zinc/67/83/19/643678319.db2.gz IKSJQVCJMMGSKP-HOTGVXAUSA-N 2 1 268.445 2.393 20 0 CEADMP O[C@H](CCc1ccccc1)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923356522 643678524 /nfs/dbraw/zinc/67/85/24/643678524.db2.gz SKMVMKFKQXNQOB-MSOLQXFVSA-N 2 1 288.435 2.056 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923370135 643683042 /nfs/dbraw/zinc/68/30/42/643683042.db2.gz BYEZUUCCRBGZBA-SJORKVTESA-N 2 1 286.419 2.202 20 0 CEADMP CCC1(CC)CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923375608 643684892 /nfs/dbraw/zinc/68/48/92/643684892.db2.gz BTQSLQYXWUAUCJ-IHRRRGAJSA-N 2 1 254.418 2.129 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923374822 643685300 /nfs/dbraw/zinc/68/53/00/643685300.db2.gz CXFTXAHJMAPWRK-ILXRZTDVSA-N 2 1 256.434 2.234 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000923374823 643685536 /nfs/dbraw/zinc/68/55/36/643685536.db2.gz CXFTXAHJMAPWRK-KFWWJZLASA-N 2 1 256.434 2.234 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)c1cccc(Cl)c1Cl ZINC000923379633 643687219 /nfs/dbraw/zinc/68/72/19/643687219.db2.gz QZWSYETZAVPRKH-ULCXWNMLSA-N 2 1 289.206 2.495 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000923382634 643688381 /nfs/dbraw/zinc/68/83/81/643688381.db2.gz DRQLBPCPGGQKPW-HUUCEWRRSA-N 2 1 268.445 2.248 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H](O)CC1CCCC1 ZINC000923390089 643689622 /nfs/dbraw/zinc/68/96/22/643689622.db2.gz BALQFPFDBATIKF-PCKAHOCUSA-N 2 1 266.429 2.131 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H](O)CC1CCCC1 ZINC000923390089 643689627 /nfs/dbraw/zinc/68/96/27/643689627.db2.gz BALQFPFDBATIKF-PCKAHOCUSA-N 2 1 266.429 2.131 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCc2ccc(Cl)cc21 ZINC000923389286 643693672 /nfs/dbraw/zinc/69/36/72/643693672.db2.gz VDNFTMINLQLVRG-AFCVYNCWSA-N 2 1 294.826 2.152 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CCO ZINC000923393162 643694609 /nfs/dbraw/zinc/69/46/09/643694609.db2.gz YOMWRBJHPUBDEG-ZCRFILTFSA-N 2 1 280.456 2.390 20 0 CEADMP C[C@@H]1c2sccc2CC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923425562 643705524 /nfs/dbraw/zinc/70/55/24/643705524.db2.gz HLWLJNDGOJHZOM-YPMHNXCESA-N 2 1 278.421 2.046 20 0 CEADMP C[C@]1(c2ccccc2)CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923427368 643706265 /nfs/dbraw/zinc/70/62/65/643706265.db2.gz RREZVOOCGJAMDJ-IAGOWNOFSA-N 2 1 286.419 2.376 20 0 CEADMP Cc1csc([C@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923419643 643709205 /nfs/dbraw/zinc/70/92/05/643709205.db2.gz DGFAAMJTNRVNGL-LBPRGKRZSA-N 2 1 265.426 2.383 20 0 CEADMP Cc1csc([C@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923419643 643709210 /nfs/dbraw/zinc/70/92/10/643709210.db2.gz DGFAAMJTNRVNGL-LBPRGKRZSA-N 2 1 265.426 2.383 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479717 643730780 /nfs/dbraw/zinc/73/07/80/643730780.db2.gz BWOGBQCTWAGFGA-AWEZNQCLSA-N 2 1 262.397 2.299 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(O)ccc2Cl)CC[C@@H]1C[NH3+] ZINC000923490957 643735935 /nfs/dbraw/zinc/73/59/35/643735935.db2.gz PFSRQNMCKHTPPG-GHMZBOCLSA-N 2 1 268.788 2.462 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cn2)CC[C@H]1C[NH3+] ZINC000923494054 643738287 /nfs/dbraw/zinc/73/82/87/643738287.db2.gz KFPNRYFSWNTWLJ-MNOVXSKESA-N 2 1 253.777 2.152 20 0 CEADMP C[C@@H]1C[N@H+](Cc2noc(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000923497368 643739125 /nfs/dbraw/zinc/73/91/25/643739125.db2.gz BZSOBUUNXROPCB-TZMCWYRMSA-N 2 1 286.379 2.153 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2noc(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000923497368 643739126 /nfs/dbraw/zinc/73/91/26/643739126.db2.gz BZSOBUUNXROPCB-TZMCWYRMSA-N 2 1 286.379 2.153 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)CC[C@@H]1C[NH3+] ZINC000923497651 643739410 /nfs/dbraw/zinc/73/94/10/643739410.db2.gz IBPYDTBRGZRTJF-ZYHUDNBSSA-N 2 1 253.777 2.152 20 0 CEADMP COc1c(C)cnc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1C ZINC000923502863 643739653 /nfs/dbraw/zinc/73/96/53/643739653.db2.gz ZMSSJRMFGCMTQA-JSGCOSHPSA-N 2 1 277.412 2.124 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504706 643743457 /nfs/dbraw/zinc/74/34/57/643743457.db2.gz TZJBMJULKVBHAR-QKPAOTATSA-N 2 1 295.471 2.083 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC000923504870 643743526 /nfs/dbraw/zinc/74/35/26/643743526.db2.gz VEPNDRYYYKGSAP-YPMHNXCESA-N 2 1 266.360 2.251 20 0 CEADMP Cc1cn[nH]c1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923507721 643744499 /nfs/dbraw/zinc/74/44/99/643744499.db2.gz QXYVHVCTYJXHJV-CQSZACIVSA-N 2 1 276.428 2.320 20 0 CEADMP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923513709 643749211 /nfs/dbraw/zinc/74/92/11/643749211.db2.gz WXCIWGYRSCTDLI-UMVBOHGHSA-N 2 1 289.423 2.103 20 0 CEADMP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923513709 643749214 /nfs/dbraw/zinc/74/92/14/643749214.db2.gz WXCIWGYRSCTDLI-UMVBOHGHSA-N 2 1 289.423 2.103 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000923526786 643751025 /nfs/dbraw/zinc/75/10/25/643751025.db2.gz UYZPCFCJHINQQX-FDMDGMSGSA-N 2 1 260.381 2.140 20 0 CEADMP COC[C@@H](C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)C(C)C ZINC000923531144 643752896 /nfs/dbraw/zinc/75/28/96/643752896.db2.gz PPGHXECESRXLCD-CABCVRRESA-N 2 1 254.418 2.123 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000923549875 643760721 /nfs/dbraw/zinc/76/07/21/643760721.db2.gz QRQXACGGOWMEFF-NUEKZKHPSA-N 2 1 266.429 2.252 20 0 CEADMP [NH3+]CCCCCCC[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000923558966 643762365 /nfs/dbraw/zinc/76/23/65/643762365.db2.gz ZZUHHYOMAOXTKW-MRXNPFEDSA-N 2 1 289.423 2.069 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000923558966 643762369 /nfs/dbraw/zinc/76/23/69/643762369.db2.gz ZZUHHYOMAOXTKW-MRXNPFEDSA-N 2 1 289.423 2.069 20 0 CEADMP Cc1cc[nH+]c(N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000202391999 643791602 /nfs/dbraw/zinc/79/16/02/643791602.db2.gz WTVCLQISXQIERF-UHFFFAOYSA-N 2 1 254.337 2.112 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)C1CCCC1 ZINC000877740970 650884168 /nfs/dbraw/zinc/88/41/68/650884168.db2.gz LKRJODFNVJAWQA-HRCADAONSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)C1CCCC1 ZINC000877740970 650884171 /nfs/dbraw/zinc/88/41/71/650884171.db2.gz LKRJODFNVJAWQA-HRCADAONSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)C1CCCC1 ZINC000877740970 650884173 /nfs/dbraw/zinc/88/41/73/650884173.db2.gz LKRJODFNVJAWQA-HRCADAONSA-N 2 1 266.429 2.218 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000854228791 644017240 /nfs/dbraw/zinc/01/72/40/644017240.db2.gz CLTLJYWZAMEJBO-QXSJWSMHSA-N 2 1 260.381 2.414 20 0 CEADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877742053 650886086 /nfs/dbraw/zinc/88/60/86/650886086.db2.gz OCCPYMAWMRIOBS-RCCFBDPRSA-N 2 1 288.435 2.270 20 0 CEADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877742053 650886091 /nfs/dbraw/zinc/88/60/91/650886091.db2.gz OCCPYMAWMRIOBS-RCCFBDPRSA-N 2 1 288.435 2.270 20 0 CEADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877742053 650886098 /nfs/dbraw/zinc/88/60/98/650886098.db2.gz OCCPYMAWMRIOBS-RCCFBDPRSA-N 2 1 288.435 2.270 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000877744673 650890408 /nfs/dbraw/zinc/89/04/08/650890408.db2.gz WPGOTDWXNLPPLD-WMLDXEAASA-N 2 1 297.402 2.466 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000877744673 650890410 /nfs/dbraw/zinc/89/04/10/650890410.db2.gz WPGOTDWXNLPPLD-WMLDXEAASA-N 2 1 297.402 2.466 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000877744673 650890412 /nfs/dbraw/zinc/89/04/12/650890412.db2.gz WPGOTDWXNLPPLD-WMLDXEAASA-N 2 1 297.402 2.466 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000877744673 650890413 /nfs/dbraw/zinc/89/04/13/650890413.db2.gz WPGOTDWXNLPPLD-WMLDXEAASA-N 2 1 297.402 2.466 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925488540 644187104 /nfs/dbraw/zinc/18/71/04/644187104.db2.gz KLGNNARQRDRYBQ-HUUCEWRRSA-N 2 1 267.461 2.371 20 0 CEADMP CCC/C(C)=C\C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855345740 644311786 /nfs/dbraw/zinc/31/17/86/644311786.db2.gz HOWDSUFWFBNEBI-ZSMUJPCHSA-N 2 1 283.460 2.121 20 0 CEADMP CCC/C(C)=C\C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855345740 644311796 /nfs/dbraw/zinc/31/17/96/644311796.db2.gz HOWDSUFWFBNEBI-ZSMUJPCHSA-N 2 1 283.460 2.121 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CCO1 ZINC000857226356 644859521 /nfs/dbraw/zinc/85/95/21/644859521.db2.gz LLYVNCVWLZTPJX-BARDWOONSA-N 2 1 252.402 2.005 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000758204328 644899400 /nfs/dbraw/zinc/89/94/00/644899400.db2.gz WNGUAUVMMVYACL-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000758204328 644899406 /nfs/dbraw/zinc/89/94/06/644899406.db2.gz WNGUAUVMMVYACL-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000758204328 644899410 /nfs/dbraw/zinc/89/94/10/644899410.db2.gz WNGUAUVMMVYACL-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000759121155 644986597 /nfs/dbraw/zinc/98/65/97/644986597.db2.gz MYPCFEFYPUGJCG-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP COc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858092935 645057973 /nfs/dbraw/zinc/05/79/73/645057973.db2.gz NRDJPSKWHYJNQR-ZBFHGGJFSA-N 2 1 292.423 2.191 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858106544 645062682 /nfs/dbraw/zinc/06/26/82/645062682.db2.gz KZAQRPMWAGVLHZ-CYBMUJFWSA-N 2 1 251.349 2.042 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858106544 645062684 /nfs/dbraw/zinc/06/26/84/645062684.db2.gz KZAQRPMWAGVLHZ-CYBMUJFWSA-N 2 1 251.349 2.042 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858116826 645067194 /nfs/dbraw/zinc/06/71/94/645067194.db2.gz ZNOYGFHQDDFLTH-CYBMUJFWSA-N 2 1 251.349 2.041 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858116826 645067197 /nfs/dbraw/zinc/06/71/97/645067197.db2.gz ZNOYGFHQDDFLTH-CYBMUJFWSA-N 2 1 251.349 2.041 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccnc(F)c1 ZINC000858144964 645073734 /nfs/dbraw/zinc/07/37/34/645073734.db2.gz KFNLEAXGBGTGEK-UHFFFAOYSA-N 2 1 262.332 2.296 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc[nH+]c(CO)c1 ZINC000858322560 645117777 /nfs/dbraw/zinc/11/77/77/645117777.db2.gz AGDRDCAKVJMYSP-CYBMUJFWSA-N 2 1 263.385 2.250 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2cc[nH+]c(CO)c2)C1 ZINC000858427517 645154928 /nfs/dbraw/zinc/15/49/28/645154928.db2.gz IRWVEVQBYHVUTJ-SFHVURJKSA-N 2 1 297.402 2.285 20 0 CEADMP Cc1c[nH+]ccc1OC1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858518106 645189218 /nfs/dbraw/zinc/18/92/18/645189218.db2.gz FITLMKBBKSXSKA-UHFFFAOYSA-N 2 1 299.374 2.325 20 0 CEADMP OCc1cc(NC[C@@H]2CC[N@H+]2C2CCCCC2)cc[nH+]1 ZINC000858683674 645237643 /nfs/dbraw/zinc/23/76/43/645237643.db2.gz VYRKVESDOWDGSC-INIZCTEOSA-N 2 1 275.396 2.393 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000878104930 650999636 /nfs/dbraw/zinc/99/96/36/650999636.db2.gz RUFQMFBVIJXOFY-UONOGXRCSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878121890 651006036 /nfs/dbraw/zinc/00/60/36/651006036.db2.gz PSFHDNIWBRJBEI-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878121891 651006190 /nfs/dbraw/zinc/00/61/90/651006190.db2.gz PSFHDNIWBRJBEI-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000878125052 651007911 /nfs/dbraw/zinc/00/79/11/651007911.db2.gz MESWIYLUBNBBEI-HZMVEIRTSA-N 2 1 278.440 2.362 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878147619 651013212 /nfs/dbraw/zinc/01/32/12/651013212.db2.gz HHEKKJZTOUHEGC-SOUVJXGZSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2C[C@@H](OC)C2)CC1 ZINC000878164262 651020897 /nfs/dbraw/zinc/02/08/97/651020897.db2.gz DUEJKVLHJFUZIT-OTVXOJSOSA-N 2 1 254.418 2.218 20 0 CEADMP FC(F)(F)OCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000878191980 651032422 /nfs/dbraw/zinc/03/24/22/651032422.db2.gz XBUXXXHROHMNIK-UHFFFAOYSA-N 2 1 289.301 2.130 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](SC)C2)CC1 ZINC000766059260 645841904 /nfs/dbraw/zinc/84/19/04/645841904.db2.gz FCMZXMDISOGGQN-GJZGRUSLSA-N 2 1 286.485 2.361 20 0 CEADMP Cc1[nH+]ccn1CCCOC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC000767644204 646016667 /nfs/dbraw/zinc/01/66/67/646016667.db2.gz SMJRPHPOBJOAQU-HNNXBMFYSA-N 2 1 293.411 2.245 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000767881003 646050346 /nfs/dbraw/zinc/05/03/46/646050346.db2.gz FBQFDHBKACDOSZ-MSOLQXFVSA-N 2 1 288.435 2.280 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000767881003 646050353 /nfs/dbraw/zinc/05/03/53/646050353.db2.gz FBQFDHBKACDOSZ-MSOLQXFVSA-N 2 1 288.435 2.280 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000768304074 646106003 /nfs/dbraw/zinc/10/60/03/646106003.db2.gz WCTPOWGTSDUBNG-UHFFFAOYSA-N 2 1 263.385 2.326 20 0 CEADMP FC(F)C1CC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000769516873 646280283 /nfs/dbraw/zinc/28/02/83/646280283.db2.gz KCAWBNWXCGTNHT-UXUKBGGZSA-N 2 1 288.382 2.263 20 0 CEADMP Cc1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccnc1F ZINC000862273556 646387969 /nfs/dbraw/zinc/38/79/69/646387969.db2.gz KOBVIZLEICHGKK-KBPBESRZSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccnc1F ZINC000862273556 646387974 /nfs/dbraw/zinc/38/79/74/646387974.db2.gz KOBVIZLEICHGKK-KBPBESRZSA-N 2 1 263.360 2.246 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000773139860 646709581 /nfs/dbraw/zinc/70/95/81/646709581.db2.gz UIZWRKHGALSOMH-JHJVBQTASA-N 2 1 272.483 2.050 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H](N[C@@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000863481434 646739162 /nfs/dbraw/zinc/73/91/62/646739162.db2.gz DFLIGIWVTHEMBG-IAGOWNOFSA-N 2 1 285.435 2.135 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000863543818 646751980 /nfs/dbraw/zinc/75/19/80/646751980.db2.gz ZROXIQCWQTUQAS-ZOLYEBIHSA-N 2 1 272.483 2.096 20 0 CEADMP CC1(C)c2ccccc2CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000773759356 646774117 /nfs/dbraw/zinc/77/41/17/646774117.db2.gz DHWROZZESPKKDG-MRXNPFEDSA-N 2 1 288.435 2.237 20 0 CEADMP CC1(C)c2ccccc2CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000773759356 646774122 /nfs/dbraw/zinc/77/41/22/646774122.db2.gz DHWROZZESPKKDG-MRXNPFEDSA-N 2 1 288.435 2.237 20 0 CEADMP Cc1ccccc1C[C@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000773933198 646788029 /nfs/dbraw/zinc/78/80/29/646788029.db2.gz AZHCEDSZSQKLMB-WMZOPIPTSA-N 2 1 290.451 2.315 20 0 CEADMP Cc1ccccc1C[C@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000773933198 646788032 /nfs/dbraw/zinc/78/80/32/646788032.db2.gz AZHCEDSZSQKLMB-WMZOPIPTSA-N 2 1 290.451 2.315 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C2(CCC2)CO1 ZINC000864049122 646869921 /nfs/dbraw/zinc/86/99/21/646869921.db2.gz ATLBPLFPQNHOPE-CQSZACIVSA-N 2 1 286.419 2.476 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCC=CO2)C[C@@H]1C ZINC000774904796 646907446 /nfs/dbraw/zinc/90/74/46/646907446.db2.gz WTXDQADWTYNPIK-SOUVJXGZSA-N 2 1 252.402 2.484 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCC=CO2)C[C@@H]1C ZINC000774904796 646907451 /nfs/dbraw/zinc/90/74/51/646907451.db2.gz WTXDQADWTYNPIK-SOUVJXGZSA-N 2 1 252.402 2.484 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCC=CO2)C[C@@H]1C ZINC000774904796 646907454 /nfs/dbraw/zinc/90/74/54/646907454.db2.gz WTXDQADWTYNPIK-SOUVJXGZSA-N 2 1 252.402 2.484 20 0 CEADMP CCC(CC)NC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000864451475 647007534 /nfs/dbraw/zinc/00/75/34/647007534.db2.gz HWTFPOWPIWVAGV-GFCCVEGCSA-N 2 1 254.422 2.021 20 0 CEADMP CCC[C@H](C)C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000776351264 647051206 /nfs/dbraw/zinc/05/12/06/647051206.db2.gz QYLUEFCMTQSQKD-HNNXBMFYSA-N 2 1 255.450 2.040 20 0 CEADMP C[C@H](CCO)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000779400209 647319389 /nfs/dbraw/zinc/31/93/89/647319389.db2.gz QZLIMRPXRXFRHM-CABCVRRESA-N 2 1 264.413 2.258 20 0 CEADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865527769 647342035 /nfs/dbraw/zinc/34/20/35/647342035.db2.gz KVWLQWFNLHSKKM-SNVBAGLBSA-N 2 1 273.302 2.276 20 0 CEADMP C[C@H](NC(=O)CCCC[NH+]1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000781181910 647505131 /nfs/dbraw/zinc/50/51/31/647505131.db2.gz AAVSPYIKYRNMIK-HNNXBMFYSA-N 2 1 293.455 2.019 20 0 CEADMP CN(C)c1cc[nH+]c(NC2CCC(C)([NH+](C)C)CC2)n1 ZINC000866148824 647630136 /nfs/dbraw/zinc/63/01/36/647630136.db2.gz WBBMVXMHINFTHN-UHFFFAOYSA-N 2 1 277.416 2.217 20 0 CEADMP C[N@H+]1Cc2ccccc2[C@@H]1CNc1cc[nH+]c(CO)c1 ZINC000866195207 647660243 /nfs/dbraw/zinc/66/02/43/647660243.db2.gz PBFKTJNFKXYBNM-INIZCTEOSA-N 2 1 269.348 2.173 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@H]2C)cn1 ZINC000783219924 647695446 /nfs/dbraw/zinc/69/54/46/647695446.db2.gz BTKLNKBYFOUDDJ-BXUZGUMPSA-N 2 1 256.353 2.464 20 0 CEADMP C[C@@H]1CC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000783241321 647699707 /nfs/dbraw/zinc/69/97/07/647699707.db2.gz UWGQIPOYPVLICA-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866316391 647734346 /nfs/dbraw/zinc/73/43/46/647734346.db2.gz YVCWTLIDSCVILP-JKSUJKDBSA-N 2 1 264.413 2.186 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)CC1(C)OCCO1 ZINC000866427136 647783805 /nfs/dbraw/zinc/78/38/05/647783805.db2.gz IVGCOTAUUGXBRH-JONQDZQNSA-N 2 1 296.455 2.238 20 0 CEADMP COC(C)(C)CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000866505740 647809139 /nfs/dbraw/zinc/80/91/39/647809139.db2.gz TYWIHXGWSPLPLF-OAHLLOKOSA-N 2 1 284.444 2.035 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000866524330 647814831 /nfs/dbraw/zinc/81/48/31/647814831.db2.gz CTJSBZYJEYZGED-KBXIAJHMSA-N 2 1 296.455 2.427 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2c3ccccc3CN2C)[C@H](C)C1 ZINC000866561335 647824979 /nfs/dbraw/zinc/82/49/79/647824979.db2.gz CEQHKHLFKZQYDJ-FHLIZLRMSA-N 2 1 287.451 2.493 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000866699059 647873175 /nfs/dbraw/zinc/87/31/75/647873175.db2.gz GYXPYKWIGTXZPF-UHFFFAOYSA-N 2 1 293.386 2.228 20 0 CEADMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702645 647874821 /nfs/dbraw/zinc/87/48/21/647874821.db2.gz DEBVWWXKMSCRNX-CXAGYDPISA-N 2 1 297.487 2.377 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703495 647875474 /nfs/dbraw/zinc/87/54/74/647875474.db2.gz IDNGJCPROHSFEZ-WMLDXEAASA-N 2 1 297.487 2.378 20 0 CEADMP CCCCOCC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703254 647876091 /nfs/dbraw/zinc/87/60/91/647876091.db2.gz HNYRJQSHZKHNAY-OAHLLOKOSA-N 2 1 256.434 2.500 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000866709674 647878921 /nfs/dbraw/zinc/87/89/21/647878921.db2.gz YJRYOCPBMKSEOM-INIZCTEOSA-N 2 1 261.413 2.466 20 0 CEADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792218233 648627229 /nfs/dbraw/zinc/62/72/29/648627229.db2.gz LYWZUFUXEIYNNX-HNNXBMFYSA-N 2 1 294.439 2.277 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792218233 648627233 /nfs/dbraw/zinc/62/72/33/648627233.db2.gz LYWZUFUXEIYNNX-HNNXBMFYSA-N 2 1 294.439 2.277 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)n(C)n1 ZINC000793523234 648769161 /nfs/dbraw/zinc/76/91/61/648769161.db2.gz DKECJJYOEQVHAU-YPMHNXCESA-N 2 1 275.400 2.220 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)n(C)n1 ZINC000793527049 648770337 /nfs/dbraw/zinc/77/03/37/648770337.db2.gz SLOXLMXLIOVRIX-ZDUSSCGKSA-N 2 1 252.406 2.109 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)n(C)n1 ZINC000793527049 648770341 /nfs/dbraw/zinc/77/03/41/648770341.db2.gz SLOXLMXLIOVRIX-ZDUSSCGKSA-N 2 1 252.406 2.109 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870871530 648938604 /nfs/dbraw/zinc/93/86/04/648938604.db2.gz DIKDWRNOQDSFKU-WKILWMFISA-N 2 1 295.471 2.083 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870876642 648940674 /nfs/dbraw/zinc/94/06/74/648940674.db2.gz HUPKCCNSZURVKA-BZUAXINKSA-N 2 1 295.471 2.275 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC1 ZINC000871155481 649016453 /nfs/dbraw/zinc/01/64/53/649016453.db2.gz RVJCRYHSKNLTMW-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccnc(N2CCCCC2)c1 ZINC000888572952 649080705 /nfs/dbraw/zinc/08/07/05/649080705.db2.gz ZSTPFRIJONPZLM-CQSZACIVSA-N 2 1 288.395 2.105 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccnc(N2CCCCC2)c1 ZINC000888572952 649080711 /nfs/dbraw/zinc/08/07/11/649080711.db2.gz ZSTPFRIJONPZLM-CQSZACIVSA-N 2 1 288.395 2.105 20 0 CEADMP C[C@H]1C[C@H](CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000871784707 649184440 /nfs/dbraw/zinc/18/44/40/649184440.db2.gz IXMNMTVZYYOJTA-FIBILERRSA-N 2 1 295.427 2.173 20 0 CEADMP C[C@H]1C[C@H](CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000871784707 649184446 /nfs/dbraw/zinc/18/44/46/649184446.db2.gz IXMNMTVZYYOJTA-FIBILERRSA-N 2 1 295.427 2.173 20 0 CEADMP CCc1nocc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784722 649184563 /nfs/dbraw/zinc/18/45/63/649184563.db2.gz JDOVHCNEOGTHKX-VGPLMAKISA-N 2 1 292.383 2.108 20 0 CEADMP CCc1nocc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784722 649184567 /nfs/dbraw/zinc/18/45/67/649184567.db2.gz JDOVHCNEOGTHKX-VGPLMAKISA-N 2 1 292.383 2.108 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)[C@@H]1CCCOC1 ZINC000872025995 649245093 /nfs/dbraw/zinc/24/50/93/649245093.db2.gz XOEZMPCNHXQLDW-ILXRZTDVSA-N 2 1 254.418 2.121 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CCOCC1 ZINC000872036376 649249277 /nfs/dbraw/zinc/24/92/77/649249277.db2.gz USIVCWAAKDISGH-CABCVRRESA-N 2 1 298.471 2.281 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000872126078 649285011 /nfs/dbraw/zinc/28/50/11/649285011.db2.gz JQQBBFZYJWDMAW-VDHUWJSZSA-N 2 1 288.435 2.258 20 0 CEADMP CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000872128419 649286708 /nfs/dbraw/zinc/28/67/08/649286708.db2.gz PYUGDEBXHSVPTK-AJNGGQMLSA-N 2 1 294.439 2.323 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CC3(CCC3)CO2)C[C@H]1C[NH3+] ZINC000872144247 649294740 /nfs/dbraw/zinc/29/47/40/649294740.db2.gz DNRWSRWNRYLHOA-LXTVHRRPSA-N 2 1 266.429 2.251 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000872145154 649295453 /nfs/dbraw/zinc/29/54/53/649295453.db2.gz NEYCBBVXPAXJOI-XJKSGUPXSA-N 2 1 268.445 2.498 20 0 CEADMP CCc1ccc(CC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872153260 649297352 /nfs/dbraw/zinc/29/73/52/649297352.db2.gz FTFHSKOVLFBQQB-DLBZAZTESA-N 2 1 258.409 2.333 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1cc(CO)ccc1F ZINC000872156126 649299330 /nfs/dbraw/zinc/29/93/30/649299330.db2.gz FBZRMXOXUBZRPP-UHFFFAOYSA-N 2 1 268.376 2.269 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1)OC ZINC000872158962 649300574 /nfs/dbraw/zinc/30/05/74/649300574.db2.gz ZMWIRXDQHKSBLZ-PVAVHDDUSA-N 2 1 298.471 2.267 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(c3cc[nH+]cc3C3CC3)C2)C1 ZINC000872552369 649419359 /nfs/dbraw/zinc/41/93/59/649419359.db2.gz WBWFAUIPBOYSDF-MRXNPFEDSA-N 2 1 257.381 2.491 20 0 CEADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CN1CCSC1=O ZINC000872744197 649474400 /nfs/dbraw/zinc/47/44/00/649474400.db2.gz QXAPZWMMTMXBBV-UHFFFAOYSA-N 2 1 299.484 2.413 20 0 CEADMP c1c(C[N@H+](C2CC2)C2CC[NH2+]CC2)sc2c1C[NH2+]CC2 ZINC000873200823 649586663 /nfs/dbraw/zinc/58/66/63/649586663.db2.gz HENUEVAIWRQDMJ-UHFFFAOYSA-N 3 1 291.464 2.110 20 0 CEADMP c1c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)sc2c1C[NH2+]CC2 ZINC000873200823 649586667 /nfs/dbraw/zinc/58/66/67/649586667.db2.gz HENUEVAIWRQDMJ-UHFFFAOYSA-N 3 1 291.464 2.110 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210312 649590739 /nfs/dbraw/zinc/59/07/39/649590739.db2.gz BSRYUBWOJBZDLR-UHFFFAOYSA-N 3 1 267.442 2.001 20 0 CEADMP CC(C)[C@H]1CN(C)CC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873209217 649590890 /nfs/dbraw/zinc/59/08/90/649590890.db2.gz ILJJUQXHLHBTOW-OAHLLOKOSA-N 2 1 293.480 2.166 20 0 CEADMP CC(C)[C@H]1C[N@H+](C)CCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873209217 649590893 /nfs/dbraw/zinc/59/08/93/649590893.db2.gz ILJJUQXHLHBTOW-OAHLLOKOSA-N 2 1 293.480 2.166 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C)CCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873209217 649590896 /nfs/dbraw/zinc/59/08/96/649590896.db2.gz ILJJUQXHLHBTOW-OAHLLOKOSA-N 2 1 293.480 2.166 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@@H]1CC[NH3+] ZINC000873213709 649592127 /nfs/dbraw/zinc/59/21/27/649592127.db2.gz NLWAMZMXWGGIPN-IUODEOHRSA-N 3 1 293.480 2.343 20 0 CEADMP C[C@@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)[C@@H]1CC[NH3+] ZINC000873213709 649592131 /nfs/dbraw/zinc/59/21/31/649592131.db2.gz NLWAMZMXWGGIPN-IUODEOHRSA-N 2 1 293.480 2.343 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000873222673 649596940 /nfs/dbraw/zinc/59/69/40/649596940.db2.gz AOZFYPJIWRLVKQ-MRXNPFEDSA-N 2 1 277.412 2.293 20 0 CEADMP COC(=O)c1coc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000873223150 649597115 /nfs/dbraw/zinc/59/71/15/649597115.db2.gz IHYWPCPHOSBAPM-INIZCTEOSA-N 2 1 294.395 2.263 20 0 CEADMP COC(=O)c1coc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000873223150 649597118 /nfs/dbraw/zinc/59/71/18/649597118.db2.gz IHYWPCPHOSBAPM-INIZCTEOSA-N 2 1 294.395 2.263 20 0 CEADMP COCCC1([NH2+]Cc2ccc(F)c(F)c2)CC[NH2+]CC1 ZINC000873224303 649597852 /nfs/dbraw/zinc/59/78/52/649597852.db2.gz AKLPQEBUOIPNBN-UHFFFAOYSA-N 2 1 284.350 2.213 20 0 CEADMP COCCC1([NH2+]Cc2cc(C)ccc2OC)CC[NH2+]CC1 ZINC000873225189 649598890 /nfs/dbraw/zinc/59/88/90/649598890.db2.gz SYPIWPYVZJBPMX-UHFFFAOYSA-N 2 1 292.423 2.252 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc3c2NCC3)C[C@@H]1C(F)(F)F ZINC000873227593 649599365 /nfs/dbraw/zinc/59/93/65/649599365.db2.gz JIOCAAHPQWRJPQ-STQMWFEESA-N 2 1 299.340 2.224 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3c2NCC3)C[C@@H]1C(F)(F)F ZINC000873227593 649599369 /nfs/dbraw/zinc/59/93/69/649599369.db2.gz JIOCAAHPQWRJPQ-STQMWFEESA-N 2 1 299.340 2.224 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(-n2cncn2)cc1 ZINC000873231460 649602872 /nfs/dbraw/zinc/60/28/72/649602872.db2.gz JWUQZWDCQSPZSH-UHFFFAOYSA-N 2 1 287.411 2.218 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2noc3ccc(F)cc23)C1 ZINC000873250217 649609162 /nfs/dbraw/zinc/60/91/62/649609162.db2.gz QJPFMXZFAQQSBH-GHMZBOCLSA-N 2 1 263.316 2.326 20 0 CEADMP COCC(C)(C)CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000873281328 649624224 /nfs/dbraw/zinc/62/42/24/649624224.db2.gz HQWSRUGLLQWODB-LLVKDONJSA-N 2 1 251.374 2.207 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(N)cc(F)c2)[C@H](C)C1 ZINC000873287427 649627357 /nfs/dbraw/zinc/62/73/57/649627357.db2.gz DYWBVILLYAVQDU-ABAIWWIYSA-N 2 1 265.376 2.228 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(N)cc(F)c2)[C@H](C)C1 ZINC000873287427 649627359 /nfs/dbraw/zinc/62/73/59/649627359.db2.gz DYWBVILLYAVQDU-ABAIWWIYSA-N 2 1 265.376 2.228 20 0 CEADMP C[C@H]1OCC[C@@H]1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000878550056 651127831 /nfs/dbraw/zinc/12/78/31/651127831.db2.gz UOTJVBNHOAOZDM-HUUCEWRRSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1C[C@H]3CCC[C@H]3O1)C2 ZINC000878662506 651157285 /nfs/dbraw/zinc/15/72/85/651157285.db2.gz PGLJGANGUJNURC-YYIAUSFCSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1C[C@H]3CCC[C@H]3O1)C2 ZINC000878662506 651157287 /nfs/dbraw/zinc/15/72/87/651157287.db2.gz PGLJGANGUJNURC-YYIAUSFCSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1C[C@H]3CCC[C@H]3O1)C2 ZINC000878662506 651157289 /nfs/dbraw/zinc/15/72/89/651157289.db2.gz PGLJGANGUJNURC-YYIAUSFCSA-N 2 1 278.440 2.362 20 0 CEADMP CC(C)C[C@]1(C)CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878666324 651158593 /nfs/dbraw/zinc/15/85/93/651158593.db2.gz SHXUSKNDQGZTQL-KRWDZBQOSA-N 2 1 295.471 2.097 20 0 CEADMP Fc1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000878747264 651178408 /nfs/dbraw/zinc/17/84/08/651178408.db2.gz IGYJYDRJTBLZEI-UHFFFAOYSA-N 2 1 286.354 2.328 20 0 CEADMP CC1(C)OC[C@@H](C[NH+]2CCC(C)([NH+]3CCCC3)CC2)O1 ZINC000879203682 651259396 /nfs/dbraw/zinc/25/93/96/651259396.db2.gz TTYVPWARTWYRBR-CQSZACIVSA-N 2 1 282.428 2.088 20 0 CEADMP Cc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000879570443 651323524 /nfs/dbraw/zinc/32/35/24/651323524.db2.gz ZEIKZYAQIIYOCV-RDJZCZTQSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000879570443 651323525 /nfs/dbraw/zinc/32/35/25/651323525.db2.gz ZEIKZYAQIIYOCV-RDJZCZTQSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879570443 651323526 /nfs/dbraw/zinc/32/35/26/651323526.db2.gz ZEIKZYAQIIYOCV-RDJZCZTQSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879570443 651323527 /nfs/dbraw/zinc/32/35/27/651323527.db2.gz ZEIKZYAQIIYOCV-RDJZCZTQSA-N 2 1 274.408 2.400 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000879579579 651325995 /nfs/dbraw/zinc/32/59/95/651325995.db2.gz ADHPXMMIDNRKTF-BPUTZDHNSA-N 2 1 294.826 2.399 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000879579579 651325998 /nfs/dbraw/zinc/32/59/98/651325998.db2.gz ADHPXMMIDNRKTF-BPUTZDHNSA-N 2 1 294.826 2.399 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](C[C@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000879579579 651325999 /nfs/dbraw/zinc/32/59/99/651325999.db2.gz ADHPXMMIDNRKTF-BPUTZDHNSA-N 2 1 294.826 2.399 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000879579579 651326000 /nfs/dbraw/zinc/32/60/00/651326000.db2.gz ADHPXMMIDNRKTF-BPUTZDHNSA-N 2 1 294.826 2.399 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000879579580 651326070 /nfs/dbraw/zinc/32/60/70/651326070.db2.gz ADHPXMMIDNRKTF-CWRNSKLLSA-N 2 1 294.826 2.399 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000879579580 651326071 /nfs/dbraw/zinc/32/60/71/651326071.db2.gz ADHPXMMIDNRKTF-CWRNSKLLSA-N 2 1 294.826 2.399 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000879579580 651326073 /nfs/dbraw/zinc/32/60/73/651326073.db2.gz ADHPXMMIDNRKTF-CWRNSKLLSA-N 2 1 294.826 2.399 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000879579580 651326075 /nfs/dbraw/zinc/32/60/75/651326075.db2.gz ADHPXMMIDNRKTF-CWRNSKLLSA-N 2 1 294.826 2.399 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]3CCC4(CCC4)O3)CC[C@H]21 ZINC000879581128 651326252 /nfs/dbraw/zinc/32/62/52/651326252.db2.gz WSZHZMIBIPYGRF-QLFBSQMISA-N 2 1 264.413 2.114 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC4(CCC4)O3)CC[C@H]21 ZINC000879581128 651326254 /nfs/dbraw/zinc/32/62/54/651326254.db2.gz WSZHZMIBIPYGRF-QLFBSQMISA-N 2 1 264.413 2.114 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC4(CCC4)O3)CC[C@H]21 ZINC000879581128 651326256 /nfs/dbraw/zinc/32/62/56/651326256.db2.gz WSZHZMIBIPYGRF-QLFBSQMISA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC4(CCC4)O3)CC[C@H]21 ZINC000879581128 651326257 /nfs/dbraw/zinc/32/62/57/651326257.db2.gz WSZHZMIBIPYGRF-QLFBSQMISA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCC4)O3)CC[C@H]21 ZINC000879581128 651326258 /nfs/dbraw/zinc/32/62/58/651326258.db2.gz WSZHZMIBIPYGRF-QLFBSQMISA-N 2 1 264.413 2.114 20 0 CEADMP CCc1nnc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)[nH]1 ZINC000879704012 651341661 /nfs/dbraw/zinc/34/16/61/651341661.db2.gz IDZFGIWDAOQIPP-UHFFFAOYSA-N 2 1 293.459 2.167 20 0 CEADMP COC[C@@H](C)[N@H+]1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000880020929 651375787 /nfs/dbraw/zinc/37/57/87/651375787.db2.gz TVOFNNVOARZHOM-BPQIPLTHSA-N 2 1 288.435 2.475 20 0 CEADMP COC[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020929 651375789 /nfs/dbraw/zinc/37/57/89/651375789.db2.gz TVOFNNVOARZHOM-BPQIPLTHSA-N 2 1 288.435 2.475 20 0 CEADMP COC[C@@H](C)[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020929 651375791 /nfs/dbraw/zinc/37/57/91/651375791.db2.gz TVOFNNVOARZHOM-BPQIPLTHSA-N 2 1 288.435 2.475 20 0 CEADMP FC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000880240049 651407076 /nfs/dbraw/zinc/40/70/76/651407076.db2.gz XQLCFPVNAVLEPC-UHFFFAOYSA-N 2 1 292.398 2.453 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CCN1c1cc[nH+]cc1 ZINC000880258318 651411321 /nfs/dbraw/zinc/41/13/21/651411321.db2.gz FUMNDZOQEURTSQ-HUUCEWRRSA-N 2 1 275.396 2.019 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CCO1 ZINC000880259893 651411998 /nfs/dbraw/zinc/41/19/98/651411998.db2.gz KVYFFHMDAZYFQY-ARFHVFGLSA-N 2 1 289.423 2.407 20 0 CEADMP CCSCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259810 651412123 /nfs/dbraw/zinc/41/21/23/651412123.db2.gz JCDYZVMDEUMARK-CYBMUJFWSA-N 2 1 265.426 2.345 20 0 CEADMP COc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nc1 ZINC000880260236 651412183 /nfs/dbraw/zinc/41/21/83/651412183.db2.gz OJVLQDSFLWRTHL-AWEZNQCLSA-N 2 1 298.390 2.196 20 0 CEADMP COc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nc1 ZINC000880260236 651412184 /nfs/dbraw/zinc/41/21/84/651412184.db2.gz OJVLQDSFLWRTHL-AWEZNQCLSA-N 2 1 298.390 2.196 20 0 CEADMP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000880473746 651447294 /nfs/dbraw/zinc/44/72/94/651447294.db2.gz MSLLGTIIQDQBOH-INIZCTEOSA-N 2 1 280.456 2.488 20 0 CEADMP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CCN1c1cc[nH+]cc1 ZINC000882821838 652229362 /nfs/dbraw/zinc/22/93/62/652229362.db2.gz LYTDSPROFFDASL-GFCCVEGCSA-N 2 1 294.362 2.068 20 0 CEADMP C[C@H](CC1CCC1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000130646184 652306245 /nfs/dbraw/zinc/30/62/45/652306245.db2.gz SILOLFPSAAWJLM-BPLDGKMQSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H](CC1CCC1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000130646184 652306253 /nfs/dbraw/zinc/30/62/53/652306253.db2.gz SILOLFPSAAWJLM-BPLDGKMQSA-N 2 1 252.402 2.018 20 0 CEADMP COC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)[C@@H]1CCCOC1 ZINC000883192813 652395409 /nfs/dbraw/zinc/39/54/09/652395409.db2.gz IKNWWCYSPZKOIU-HZPDHXFCSA-N 2 1 295.427 2.003 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000884229890 652759589 /nfs/dbraw/zinc/75/95/89/652759589.db2.gz CUMDIIVQCLVMBM-ZDUSSCGKSA-N 2 1 278.400 2.096 20 0 CEADMP Cc1cc2[nH]ccc2c(N2C[C@H](C)[N@H+](C)C[C@@H]2C)[nH+]1 ZINC001164633693 719209554 /nfs/dbraw/zinc/20/95/54/719209554.db2.gz FEVOGNZGPSBYFJ-RYUDHWBXSA-N 2 1 258.369 2.400 20 0 CEADMP Cc1cc2c(nc[nH+]c2N(C)CC2CC[NH+](C)CC2)[nH]1 ZINC001165041157 721932397 /nfs/dbraw/zinc/93/23/97/721932397.db2.gz HXIPEFCLRIKSFC-UHFFFAOYSA-N 2 1 273.384 2.044 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC(C[NH+](C)C)CC3)c2c1C ZINC000645127478 721945787 /nfs/dbraw/zinc/94/57/87/721945787.db2.gz QPYAHLLSXNZAMB-UHFFFAOYSA-N 2 1 287.411 2.353 20 0 CEADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1C[C@@H]3CCO[C@@H]3C1)C2 ZINC001167995114 805597367 /nfs/dbraw/zinc/59/73/67/805597367.db2.gz WVTROCWCVVEYSA-PQAIKRCPSA-N 2 1 276.424 2.113 20 0 CEADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1C[C@@H]3CCO[C@@H]3C1)C2 ZINC001167995114 805597371 /nfs/dbraw/zinc/59/73/71/805597371.db2.gz WVTROCWCVVEYSA-PQAIKRCPSA-N 2 1 276.424 2.113 20 0 CEADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1C[C@@H]3CCO[C@@H]3C1)C2 ZINC001167995114 805597376 /nfs/dbraw/zinc/59/73/76/805597376.db2.gz WVTROCWCVVEYSA-PQAIKRCPSA-N 2 1 276.424 2.113 20 0 CEADMP C[C@H](C[NH2+]CCCC1CCC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001270920789 805687885 /nfs/dbraw/zinc/68/78/85/805687885.db2.gz ATUSJBDMQVFMHW-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CN(C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012772 805713113 /nfs/dbraw/zinc/71/31/13/805713113.db2.gz DWLKVMJISKRWEJ-SCAQPMJSSA-N 2 1 287.451 2.332 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CN(C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012772 805713117 /nfs/dbraw/zinc/71/31/17/805713117.db2.gz DWLKVMJISKRWEJ-SCAQPMJSSA-N 2 1 287.451 2.332 20 0 CEADMP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)C[NH2+]CCC(C)(C)C ZINC001271035122 805722744 /nfs/dbraw/zinc/72/27/44/805722744.db2.gz HQUMLJDYIXZUJJ-CYBMUJFWSA-N 2 1 294.443 2.064 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)C2 ZINC001168235471 806426118 /nfs/dbraw/zinc/42/61/18/806426118.db2.gz JOKIOBVUJKDHJL-JKSUJKDBSA-N 2 1 274.408 2.236 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3CC[NH+](C)C[C@H]3C1)C2 ZINC001168266238 806487865 /nfs/dbraw/zinc/48/78/65/806487865.db2.gz CLWRVFNVMADUMI-PVAVHDDUSA-N 2 1 286.419 2.046 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH+]1C[C@H]3CC[N@H+](C)C[C@H]3C1)C2 ZINC001168266238 806487869 /nfs/dbraw/zinc/48/78/69/806487869.db2.gz CLWRVFNVMADUMI-PVAVHDDUSA-N 2 1 286.419 2.046 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH+]1C[C@H]3CC[N@@H+](C)C[C@H]3C1)C2 ZINC001168266238 806487872 /nfs/dbraw/zinc/48/78/72/806487872.db2.gz CLWRVFNVMADUMI-PVAVHDDUSA-N 2 1 286.419 2.046 20 0 CEADMP CN(C)CCC(C)(C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168299863 806636735 /nfs/dbraw/zinc/63/67/35/806636735.db2.gz OYNVVFGNRYNWEE-UHFFFAOYSA-N 2 1 255.450 2.179 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@](O)(CF)CC2)CC1 ZINC001168315341 806648864 /nfs/dbraw/zinc/64/88/64/806648864.db2.gz UWHISLZZGLRYGJ-YMAMQOFZSA-N 2 1 272.408 2.046 20 0 CEADMP CCN(CC)CC[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168314998 806648873 /nfs/dbraw/zinc/64/88/73/806648873.db2.gz KFFXPFZGJYBILG-UHFFFAOYSA-N 2 1 255.450 2.133 20 0 CEADMP CC[NH+](CC)CCN(C)C1CCC([NH+](C)C)CC1 ZINC001168314998 806648876 /nfs/dbraw/zinc/64/88/76/806648876.db2.gz KFFXPFZGJYBILG-UHFFFAOYSA-N 2 1 255.450 2.133 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCOCC23CCC3)CC1 ZINC001168327657 806656585 /nfs/dbraw/zinc/65/65/85/806656585.db2.gz QQAGGSJAJCDTMG-UHFFFAOYSA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)CCc2ccncc2)CC1 ZINC001168324501 806653143 /nfs/dbraw/zinc/65/31/43/806653143.db2.gz QAGFFBWGESQPBK-UHFFFAOYSA-N 2 1 261.413 2.429 20 0 CEADMP CO[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC001168329783 806659230 /nfs/dbraw/zinc/65/92/30/806659230.db2.gz IGPILHDXJFPQQR-URGYJCLVSA-N 2 1 254.418 2.359 20 0 CEADMP CCN1CC[N@@H+](C2CCC([NH+](C)C)CC2)C(C)(C)C1 ZINC001168331064 806659274 /nfs/dbraw/zinc/65/92/74/806659274.db2.gz XUXHVWMVHPNLSS-UHFFFAOYSA-N 2 1 267.461 2.275 20 0 CEADMP c1nc2ccccn2c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168351244 806671211 /nfs/dbraw/zinc/67/12/11/806671211.db2.gz NQWWPVWWAUZVAX-UHFFFAOYSA-N 2 1 284.407 2.298 20 0 CEADMP COCc1cccc(C[NH2+]CC[C@@H](C)[NH+](C)C)c1 ZINC000697869400 806718874 /nfs/dbraw/zinc/71/88/74/806718874.db2.gz GWBGJOHUGFTFBI-CYBMUJFWSA-N 2 1 250.386 2.263 20 0 CEADMP [NH3+]CCCCCCC[NH2+]C1CCN(CC2CC2)CC1 ZINC001168362721 806741241 /nfs/dbraw/zinc/74/12/41/806741241.db2.gz DVTFBXMQFUJNPJ-UHFFFAOYSA-N 2 1 267.461 2.360 20 0 CEADMP Cc1ccc([C@@H](CO)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168370644 806936500 /nfs/dbraw/zinc/93/65/00/806936500.db2.gz CURPNASNVPSDSD-GOSISDBHSA-N 2 1 288.435 2.492 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2F)C1 ZINC000692958230 802386117 /nfs/dbraw/zinc/38/61/17/802386117.db2.gz GGESETDRGYCLBO-BBRMVZONSA-N 2 1 280.387 2.181 20 0 CEADMP Cc1cccc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000705343532 802412399 /nfs/dbraw/zinc/41/23/99/802412399.db2.gz AKDADTZIWARTMF-GOSISDBHSA-N 2 1 297.402 2.439 20 0 CEADMP Cc1cccc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000705343532 802412404 /nfs/dbraw/zinc/41/24/04/802412404.db2.gz AKDADTZIWARTMF-GOSISDBHSA-N 2 1 297.402 2.439 20 0 CEADMP c1cc2c(c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c1)OCC2 ZINC000693113638 802654337 /nfs/dbraw/zinc/65/43/37/802654337.db2.gz ZGPGLPBLVOEKLJ-CVEARBPZSA-N 2 1 272.392 2.338 20 0 CEADMP c1cc2c(c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c1)OCC2 ZINC000693113638 802654340 /nfs/dbraw/zinc/65/43/40/802654340.db2.gz ZGPGLPBLVOEKLJ-CVEARBPZSA-N 2 1 272.392 2.338 20 0 CEADMP C[C@@H]1CC[N@H+](CCCc2cccc(F)c2)CC[NH2+]1 ZINC001210475437 802690267 /nfs/dbraw/zinc/69/02/67/802690267.db2.gz NPEQQPUBZOKCBC-CYBMUJFWSA-N 2 1 250.361 2.442 20 0 CEADMP C[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)CC[NH2+]1 ZINC001210475437 802690269 /nfs/dbraw/zinc/69/02/69/802690269.db2.gz NPEQQPUBZOKCBC-CYBMUJFWSA-N 2 1 250.361 2.442 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CC[C@H]1CCCC[NH+]1C ZINC000710780935 809992594 /nfs/dbraw/zinc/99/25/94/809992594.db2.gz LTQFCOIUHMBESP-OAHLLOKOSA-N 3 1 255.450 2.312 20 0 CEADMP C[NH+](CCCCCC[NH3+])CC[C@H]1CCCC[N@@H+]1C ZINC000710780935 809992597 /nfs/dbraw/zinc/99/25/97/809992597.db2.gz LTQFCOIUHMBESP-OAHLLOKOSA-N 3 1 255.450 2.312 20 0 CEADMP C[NH+](CCCCCC[NH3+])CC[C@H]1CCCC[N@H+]1C ZINC000710780935 809992600 /nfs/dbraw/zinc/99/26/00/809992600.db2.gz LTQFCOIUHMBESP-OAHLLOKOSA-N 2 1 255.450 2.312 20 0 CEADMP CN1CCCC[C@@H]1CC[N@H+](C)CCCCCC[NH3+] ZINC000710780935 809992603 /nfs/dbraw/zinc/99/26/03/809992603.db2.gz LTQFCOIUHMBESP-OAHLLOKOSA-N 2 1 255.450 2.312 20 0 CEADMP CN1CCCC[C@@H]1CC[N@@H+](C)CCCCCC[NH3+] ZINC000710780935 809992607 /nfs/dbraw/zinc/99/26/07/809992607.db2.gz LTQFCOIUHMBESP-OAHLLOKOSA-N 2 1 255.450 2.312 20 0 CEADMP CC(C)=CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001266596485 802755456 /nfs/dbraw/zinc/75/54/56/802755456.db2.gz GMSUYOOFBZIFQX-MRXNPFEDSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001211278583 802807564 /nfs/dbraw/zinc/80/75/64/802807564.db2.gz SKDSHBAFSVUNJS-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC1(CC)CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000721455895 802811285 /nfs/dbraw/zinc/81/12/85/802811285.db2.gz MSJLCHZIFYICRK-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP CCC1(CC)CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000721455895 802811291 /nfs/dbraw/zinc/81/12/91/802811291.db2.gz MSJLCHZIFYICRK-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP FC(F)(F)[C@H]1CC[C@@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)O1 ZINC000721457127 802814827 /nfs/dbraw/zinc/81/48/27/802814827.db2.gz GZHHOLOCWGVFHH-NWDGAFQWSA-N 2 1 292.345 2.172 20 0 CEADMP CCC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266703595 802851133 /nfs/dbraw/zinc/85/11/33/802851133.db2.gz LEWCCLGMWJBLEZ-NTBLUZEKSA-N 2 1 293.455 2.064 20 0 CEADMP CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001266707898 802853858 /nfs/dbraw/zinc/85/38/58/802853858.db2.gz IBDRJYQDHCHVMO-HRCADAONSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C(C)C)C1 ZINC001104363702 802897692 /nfs/dbraw/zinc/89/76/92/802897692.db2.gz CCUYKBYBCCYZMI-HUUCEWRRSA-N 2 1 297.487 2.199 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000723695878 802924940 /nfs/dbraw/zinc/92/49/40/802924940.db2.gz PVEURWDJOMVVPD-LBPRGKRZSA-N 2 1 288.420 2.376 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000723703646 802926539 /nfs/dbraw/zinc/92/65/39/802926539.db2.gz SFDJFLTUBAVEKE-ZJUUUORDSA-N 2 1 251.201 2.241 20 0 CEADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399114823 802950919 /nfs/dbraw/zinc/95/09/19/802950919.db2.gz MHUQBYYGRLGXLB-NFAWXSAZSA-N 2 1 262.397 2.443 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)C[C@H]1CC[NH3+] ZINC000723893585 802966060 /nfs/dbraw/zinc/96/60/60/802966060.db2.gz BXJVCFFXYXROLE-RBSFLKMASA-N 2 1 266.429 2.395 20 0 CEADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@H]1CCCOC1 ZINC000723966663 802978877 /nfs/dbraw/zinc/97/88/77/802978877.db2.gz AJGAXTZDZXQOEV-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000723968850 802979549 /nfs/dbraw/zinc/97/95/49/802979549.db2.gz LJWAZFXARIARLN-CVEARBPZSA-N 2 1 277.412 2.376 20 0 CEADMP C[NH+](C)CC[C@@H](O[C@H]1C[NH2+]CC1(F)F)c1ccccc1 ZINC001217843818 803459618 /nfs/dbraw/zinc/45/96/18/803459618.db2.gz GVLKVNNMGPTKNC-KGLIPLIRSA-N 2 1 284.350 2.303 20 0 CEADMP CC[N@H+](CCCC(=O)OC)Cc1c[nH]c2cc[nH+]cc12 ZINC001140801841 803558025 /nfs/dbraw/zinc/55/80/25/803558025.db2.gz HSEFHKPFRHKGMG-UHFFFAOYSA-N 2 1 275.352 2.338 20 0 CEADMP CC[N@@H+](CCCC(=O)OC)Cc1c[nH]c2cc[nH+]cc12 ZINC001140801841 803558027 /nfs/dbraw/zinc/55/80/27/803558027.db2.gz HSEFHKPFRHKGMG-UHFFFAOYSA-N 2 1 275.352 2.338 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cn(C)c3ccccc23)C[C@H]1C[NH3+] ZINC000708846109 803565635 /nfs/dbraw/zinc/56/56/35/803565635.db2.gz VBMIYWKONQEXFH-QWHCGFSZSA-N 2 1 257.381 2.205 20 0 CEADMP CN(Cc1c[nH]nn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001203208231 803612363 /nfs/dbraw/zinc/61/23/63/803612363.db2.gz VKPSSTYGVBJQSQ-UHFFFAOYSA-N 2 1 299.422 2.149 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C[C@@H]1C(F)(F)F ZINC000715394480 814951555 /nfs/dbraw/zinc/95/15/55/814951555.db2.gz NZVYTBOHPSSGKX-VOAKCMCISA-N 2 1 292.345 2.013 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C[C@@H]1C(F)(F)F ZINC000715394480 814951561 /nfs/dbraw/zinc/95/15/61/814951561.db2.gz NZVYTBOHPSSGKX-VOAKCMCISA-N 2 1 292.345 2.013 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)[C@H]1C ZINC000715406722 814953968 /nfs/dbraw/zinc/95/39/68/814953968.db2.gz YVIUZYFYKWRJOA-CQOGHXNDSA-N 2 1 266.429 2.392 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)[C@H]1C ZINC000715406722 814953975 /nfs/dbraw/zinc/95/39/75/814953975.db2.gz YVIUZYFYKWRJOA-CQOGHXNDSA-N 2 1 266.429 2.392 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC[C@H](C2CC2)O1 ZINC000715402734 814954063 /nfs/dbraw/zinc/95/40/63/814954063.db2.gz MQVCHTHHWJXIGJ-KLHDSHLOSA-N 2 1 264.413 2.160 20 0 CEADMP C[N@@H+](C[C@@H]1CC[C@@H](C2CC2)O1)C1CCC([NH3+])CC1 ZINC000715482980 814959222 /nfs/dbraw/zinc/95/92/22/814959222.db2.gz PLSRPSIRMPNADX-WUCCLRPBSA-N 2 1 252.402 2.146 20 0 CEADMP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001267791677 803736084 /nfs/dbraw/zinc/73/60/84/803736084.db2.gz QFLRSKNJNFPJBQ-INIZCTEOSA-N 2 1 295.471 2.217 20 0 CEADMP CCCC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1 ZINC001267841557 803769801 /nfs/dbraw/zinc/76/98/01/803769801.db2.gz TWPNEUISNZMMGB-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@@H]([NH3+])[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccccc1 ZINC000925607994 803777589 /nfs/dbraw/zinc/77/75/89/803777589.db2.gz SJYJKWOKYHVPDU-VDERGJSUSA-N 2 1 262.397 2.216 20 0 CEADMP COC(=O)[C@H](C)C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222154915 803810530 /nfs/dbraw/zinc/81/05/30/803810530.db2.gz SSGCZXGDCODTAO-GDBMZVCRSA-N 2 1 282.428 2.041 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNc1ccc2c(n1)C[NH2+]CC2 ZINC001167752449 803838997 /nfs/dbraw/zinc/83/89/97/803838997.db2.gz WCDSJUNNWLSHQD-AWEZNQCLSA-N 2 1 288.439 2.404 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1)C1CC1 ZINC000715535527 814973980 /nfs/dbraw/zinc/97/39/80/814973980.db2.gz LKWIEEFXDWMROO-IAGOWNOFSA-N 2 1 278.440 2.408 20 0 CEADMP CC(C)Oc1cc(C[NH+]2CCC(F)(C[NH3+])CC2)cnc1F ZINC001222553615 803903262 /nfs/dbraw/zinc/90/32/62/803903262.db2.gz ZNWDEDXWHKKRKK-UHFFFAOYSA-N 2 1 299.365 2.271 20 0 CEADMP C[NH+](C)C1(C)CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000715575058 814979975 /nfs/dbraw/zinc/97/99/75/814979975.db2.gz WHJGBHFJRQHWNX-VUROTCPHSA-N 3 1 279.472 2.466 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449077 804077410 /nfs/dbraw/zinc/07/74/10/804077410.db2.gz QRPDBCODGUDVTC-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027449077 804077413 /nfs/dbraw/zinc/07/74/13/804077413.db2.gz QRPDBCODGUDVTC-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027449077 804077424 /nfs/dbraw/zinc/07/74/24/804077424.db2.gz QRPDBCODGUDVTC-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027449075 804078188 /nfs/dbraw/zinc/07/81/88/804078188.db2.gz QRPDBCODGUDVTC-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027449075 804078196 /nfs/dbraw/zinc/07/81/96/804078196.db2.gz QRPDBCODGUDVTC-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027449075 804078207 /nfs/dbraw/zinc/07/82/07/804078207.db2.gz QRPDBCODGUDVTC-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1F ZINC000125529898 804091244 /nfs/dbraw/zinc/09/12/44/804091244.db2.gz ZCBFIWHOSHORJL-LLVKDONJSA-N 2 1 252.333 2.005 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027520165 804101694 /nfs/dbraw/zinc/10/16/94/804101694.db2.gz HBPKZHQUAHJBJA-OAHLLOKOSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001027576228 804132414 /nfs/dbraw/zinc/13/24/14/804132414.db2.gz MRHWTOXJYLAHGP-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001027576228 804132420 /nfs/dbraw/zinc/13/24/20/804132420.db2.gz MRHWTOXJYLAHGP-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001027576228 804132423 /nfs/dbraw/zinc/13/24/23/804132423.db2.gz MRHWTOXJYLAHGP-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001027601646 804147041 /nfs/dbraw/zinc/14/70/41/804147041.db2.gz FZQFJYCXNYXEQO-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001027601646 804147046 /nfs/dbraw/zinc/14/70/46/804147046.db2.gz FZQFJYCXNYXEQO-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027601646 804147049 /nfs/dbraw/zinc/14/70/49/804147049.db2.gz FZQFJYCXNYXEQO-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001268032838 804150686 /nfs/dbraw/zinc/15/06/86/804150686.db2.gz CTTPZFKWGYWDKI-OAHLLOKOSA-N 2 1 293.455 2.065 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CCC1OCCO1 ZINC001167839504 804434342 /nfs/dbraw/zinc/43/43/42/804434342.db2.gz YMWDINSQBKHKND-CQSZACIVSA-N 2 1 272.433 2.192 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(C(C)=O)[C@@H](C)C1 ZINC001167839793 804436503 /nfs/dbraw/zinc/43/65/03/804436503.db2.gz BYNMIOCYRRBKLY-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](Cn2ccnc2)C(C)(C)C)CC1 ZINC000037156246 815021388 /nfs/dbraw/zinc/02/13/88/815021388.db2.gz YYMZCESEIMFXIP-OAHLLOKOSA-N 2 1 278.444 2.372 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC ZINC001028254010 804621964 /nfs/dbraw/zinc/62/19/64/804621964.db2.gz LDEGRSXFBGRMRR-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1cc(NC(=[NH2+])SCC[NH3+])cnc1OC(C)C ZINC001167911711 804693392 /nfs/dbraw/zinc/69/33/92/804693392.db2.gz FEEMOHPNLCFKOS-UHFFFAOYSA-N 2 1 268.386 2.216 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cn1 ZINC000257676802 804860271 /nfs/dbraw/zinc/86/02/71/804860271.db2.gz FWZUJILCKNWIFF-UHFFFAOYSA-N 2 1 259.397 2.356 20 0 CEADMP C[C@@H]1CCN(C[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000382766911 804887293 /nfs/dbraw/zinc/88/72/93/804887293.db2.gz WGELYPUZWWGYDY-SJLPKXTDSA-N 2 1 287.451 2.335 20 0 CEADMP CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001269951377 805295500 /nfs/dbraw/zinc/29/55/00/805295500.db2.gz IYWNBDLLPZTUSZ-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC)C1 ZINC001028919051 805356770 /nfs/dbraw/zinc/35/67/70/805356770.db2.gz QDDMLPCKMHKMCY-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC001028919051 805356780 /nfs/dbraw/zinc/35/67/80/805356780.db2.gz QDDMLPCKMHKMCY-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC001028919051 805356788 /nfs/dbraw/zinc/35/67/88/805356788.db2.gz QDDMLPCKMHKMCY-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001029003191 805424636 /nfs/dbraw/zinc/42/46/36/805424636.db2.gz IJLMMRBZIRINSI-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001029003191 805424642 /nfs/dbraw/zinc/42/46/42/805424642.db2.gz IJLMMRBZIRINSI-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001029003191 805424647 /nfs/dbraw/zinc/42/46/47/805424647.db2.gz IJLMMRBZIRINSI-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@H]1O ZINC001167982792 805518157 /nfs/dbraw/zinc/51/81/57/805518157.db2.gz AOQFZBHQLMKRTH-HYLRJUEESA-N 2 1 278.440 2.095 20 0 CEADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@H]1O ZINC001167982792 805518160 /nfs/dbraw/zinc/51/81/60/805518160.db2.gz AOQFZBHQLMKRTH-HYLRJUEESA-N 2 1 278.440 2.095 20 0 CEADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@H]1O ZINC001167982792 805518167 /nfs/dbraw/zinc/51/81/67/805518167.db2.gz AOQFZBHQLMKRTH-HYLRJUEESA-N 2 1 278.440 2.095 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC)CC1 ZINC001029105789 805535609 /nfs/dbraw/zinc/53/56/09/805535609.db2.gz CBAFHSAOCHUHAM-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)CCCCO[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001225000563 807098456 /nfs/dbraw/zinc/09/84/56/807098456.db2.gz GVRIPNOQDJJQLP-FICVDOATSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C)[NH+](C)C ZINC001045850315 807205986 /nfs/dbraw/zinc/20/59/86/807205986.db2.gz ATJWVVMQASUZLL-PMPSAXMXSA-N 2 1 295.471 2.048 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(CCC2)CO1)C1CC[NH2+]CC1 ZINC000716295145 815110692 /nfs/dbraw/zinc/11/06/92/815110692.db2.gz QSPJCMYPLOWFEV-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP FC(F)(F)[C@@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000698771954 807405626 /nfs/dbraw/zinc/40/56/26/807405626.db2.gz AJGAIRAMQYCHCK-WVMKXHBISA-N 2 1 292.345 2.170 20 0 CEADMP FC(F)(F)[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000698771954 807405629 /nfs/dbraw/zinc/40/56/29/807405629.db2.gz AJGAIRAMQYCHCK-WVMKXHBISA-N 2 1 292.345 2.170 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000716335917 815115924 /nfs/dbraw/zinc/11/59/24/815115924.db2.gz GMENYEICQZASSE-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089218041 807431823 /nfs/dbraw/zinc/43/18/23/807431823.db2.gz VCPJTAMMRMDWSY-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001089218041 807431829 /nfs/dbraw/zinc/43/18/29/807431829.db2.gz VCPJTAMMRMDWSY-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001089218041 807431832 /nfs/dbraw/zinc/43/18/32/807431832.db2.gz VCPJTAMMRMDWSY-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP Cn1ccc2c1cccc2C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205101223 807630920 /nfs/dbraw/zinc/63/09/20/807630920.db2.gz BSAQTDWIQGKKGF-AWEZNQCLSA-N 2 1 257.381 2.492 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@H](N2CCCC2)C1 ZINC000699195757 807635156 /nfs/dbraw/zinc/63/51/56/807635156.db2.gz RLOLVGKGLMUWKT-HMQMGEFJSA-N 2 1 277.456 2.077 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000699195757 807635159 /nfs/dbraw/zinc/63/51/59/807635159.db2.gz RLOLVGKGLMUWKT-HMQMGEFJSA-N 2 1 277.456 2.077 20 0 CEADMP COC[C@H]1CCCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699282932 807670427 /nfs/dbraw/zinc/67/04/27/807670427.db2.gz OXFFSFOCLMNKPP-HNSVSWJLSA-N 2 1 266.429 2.266 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168470481 807677483 /nfs/dbraw/zinc/67/74/83/807677483.db2.gz YUVQYXRTMVKTSQ-AWEZNQCLSA-N 2 1 294.414 2.457 20 0 CEADMP CN1CC[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716695440 815143387 /nfs/dbraw/zinc/14/33/87/815143387.db2.gz XCFKNOGACCTXGN-OKYOBFRVSA-N 2 1 299.462 2.333 20 0 CEADMP Cc1nc(C(F)(F)F)ccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205140518 807788738 /nfs/dbraw/zinc/78/87/38/807788738.db2.gz LHJZYVKNBATRMZ-JOYOIKCWSA-N 2 1 287.329 2.435 20 0 CEADMP CSc1cc(C)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC001205146472 807822333 /nfs/dbraw/zinc/82/23/33/807822333.db2.gz XIHGAZYOMKTYGP-NWDGAFQWSA-N 2 1 265.426 2.139 20 0 CEADMP CSc1cc(C)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC001205146472 807822340 /nfs/dbraw/zinc/82/23/40/807822340.db2.gz XIHGAZYOMKTYGP-NWDGAFQWSA-N 2 1 265.426 2.139 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC(C)C)C1 ZINC001031237117 807828127 /nfs/dbraw/zinc/82/81/27/807828127.db2.gz SHQXEUKBPFMXNH-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC(C)C)C1 ZINC001031237117 807828137 /nfs/dbraw/zinc/82/81/37/807828137.db2.gz SHQXEUKBPFMXNH-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[N@@H+](Cc2[nH]nc3cc(Cl)ccc32)C[C@H]1C[NH3+] ZINC001205151366 807829631 /nfs/dbraw/zinc/82/96/31/807829631.db2.gz TYWCRADGLHOTBL-VHSXEESVSA-N 2 1 278.787 2.243 20 0 CEADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205171450 807906943 /nfs/dbraw/zinc/90/69/43/807906943.db2.gz RCJHOPJGRDLPCM-BFHYXJOUSA-N 2 1 256.434 2.375 20 0 CEADMP C[C@@H]([NH3+])CN1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001236213148 808017069 /nfs/dbraw/zinc/01/70/69/808017069.db2.gz NTFFUMFNAIHKGD-CYBMUJFWSA-N 2 1 279.403 2.069 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171465384 815173287 /nfs/dbraw/zinc/17/32/87/815173287.db2.gz ICRCZPWBDUCKGS-GWCFXTLKSA-N 2 1 268.351 2.349 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]CCC(C)C ZINC001127680150 808188920 /nfs/dbraw/zinc/18/89/20/808188920.db2.gz SOFOGVOOHWLWEL-AWEZNQCLSA-N 2 1 294.443 2.149 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC[C@H]2CO)CC1(C)C ZINC001171629890 815201505 /nfs/dbraw/zinc/20/15/05/815201505.db2.gz YUAINGVYRYGMPA-ZDUSSCGKSA-N 2 1 268.445 2.485 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H]2CO)CC1(C)C ZINC001171631944 815201261 /nfs/dbraw/zinc/20/12/61/815201261.db2.gz QQGQJDMDNXPOCB-LBPRGKRZSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001120207778 815204347 /nfs/dbraw/zinc/20/43/47/815204347.db2.gz FPUQAQRISORLPI-UHFFFAOYSA-N 2 1 295.471 2.145 20 0 CEADMP C[NH+]1C(C)(C)CC(N[C@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC001171619503 815205126 /nfs/dbraw/zinc/20/51/26/815205126.db2.gz NCWHRHSONAYYPQ-ZDUSSCGKSA-N 2 1 267.461 2.322 20 0 CEADMP C[NH+]1C(C)(C)CC(N[C@H]2CCC[N@H+](C)C2)CC1(C)C ZINC001171619503 815205131 /nfs/dbraw/zinc/20/51/31/815205131.db2.gz NCWHRHSONAYYPQ-ZDUSSCGKSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H]1C[C@H](n2ccc(CC[NH3+])n2)C[N@H+]1Cc1ccccc1 ZINC001171724768 815218299 /nfs/dbraw/zinc/21/82/99/815218299.db2.gz AMDYAQVRVGNKPE-PBHICJAKSA-N 2 1 284.407 2.220 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C(C)C ZINC000721913730 808607684 /nfs/dbraw/zinc/60/76/84/808607684.db2.gz PSHJULRFZKRFGZ-HRCADAONSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[C@@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171746882 815223216 /nfs/dbraw/zinc/22/32/16/815223216.db2.gz UCVGNYXLAVUAJM-MXASKKJJSA-N 2 1 273.424 2.119 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CN1Cc1ccccc1 ZINC001171746882 815223220 /nfs/dbraw/zinc/22/32/20/815223220.db2.gz UCVGNYXLAVUAJM-MXASKKJJSA-N 2 1 273.424 2.119 20 0 CEADMP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001272769412 808640311 /nfs/dbraw/zinc/64/03/11/808640311.db2.gz CFCGWKBCSVMSIC-BZUAXINKSA-N 2 1 295.471 2.003 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccccc2C(F)F)CC1 ZINC001205230180 808644815 /nfs/dbraw/zinc/64/48/15/808644815.db2.gz QXUNBQVVXBVGTQ-HNNXBMFYSA-N 2 1 284.350 2.300 20 0 CEADMP CCC(CC)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272780914 808661864 /nfs/dbraw/zinc/66/18/64/808661864.db2.gz DAUGOWQDYLDYJX-IIAWOOMASA-N 2 1 297.487 2.247 20 0 CEADMP COC(=O)[C@H](CC(C)C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715507558 808675955 /nfs/dbraw/zinc/67/59/55/808675955.db2.gz SFOQAZQFQUFYDM-RUXDESIVSA-N 2 1 270.417 2.037 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc3ccoc32)CC1 ZINC001205249022 808704137 /nfs/dbraw/zinc/70/41/37/808704137.db2.gz VIIISGJDIUCIOJ-INIZCTEOSA-N 2 1 274.364 2.109 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2Cc3cccc(F)c3C2)C1 ZINC001171776451 815231135 /nfs/dbraw/zinc/23/11/35/815231135.db2.gz WXTQPQUVRFGDDN-OCCSQVGLSA-N 2 1 262.372 2.224 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171776981 815231225 /nfs/dbraw/zinc/23/12/25/815231225.db2.gz FTEILCLIISBKTI-KGLIPLIRSA-N 2 1 262.372 2.367 20 0 CEADMP C[N@@H+]([C@H]1Cc2cccc(F)c2C1)C1CCC([NH3+])CC1 ZINC001171777443 815231794 /nfs/dbraw/zinc/23/17/94/815231794.db2.gz PDEVIZYBXFVNAX-RUXDESIVSA-N 2 1 262.372 2.495 20 0 CEADMP COC[C@H](C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C(C)C ZINC000721920954 808857304 /nfs/dbraw/zinc/85/73/04/808857304.db2.gz QYKSLRHUSDRPOP-AGIUHOORSA-N 2 1 296.377 2.364 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171806495 815241375 /nfs/dbraw/zinc/24/13/75/815241375.db2.gz GLIVEWAHZBAVDZ-YOEHRIQHSA-N 2 1 274.383 2.321 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171806495 815241379 /nfs/dbraw/zinc/24/13/79/815241379.db2.gz GLIVEWAHZBAVDZ-YOEHRIQHSA-N 2 1 274.383 2.321 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171806495 815241381 /nfs/dbraw/zinc/24/13/81/815241381.db2.gz GLIVEWAHZBAVDZ-YOEHRIQHSA-N 2 1 274.383 2.321 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C12CCC2 ZINC000453392444 809049371 /nfs/dbraw/zinc/04/93/71/809049371.db2.gz FKKJXAVFTPUZSW-LSDHHAIUSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168706238 809052381 /nfs/dbraw/zinc/05/23/81/809052381.db2.gz ZXWKJORMMDHFST-JQWIXIFHSA-N 2 1 252.789 2.334 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032960622 809127788 /nfs/dbraw/zinc/12/77/88/809127788.db2.gz XYIJWHJPOGMDLK-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032960622 809127791 /nfs/dbraw/zinc/12/77/91/809127791.db2.gz XYIJWHJPOGMDLK-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032960622 809127794 /nfs/dbraw/zinc/12/77/94/809127794.db2.gz XYIJWHJPOGMDLK-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001033125599 809195180 /nfs/dbraw/zinc/19/51/80/809195180.db2.gz FTJUZRBNQFAVTB-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001033125599 809195183 /nfs/dbraw/zinc/19/51/83/809195183.db2.gz FTJUZRBNQFAVTB-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001033125599 809195186 /nfs/dbraw/zinc/19/51/86/809195186.db2.gz FTJUZRBNQFAVTB-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP COc1cncc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000700046485 809276232 /nfs/dbraw/zinc/27/62/32/809276232.db2.gz DWBIWSMQORAPSF-AWEZNQCLSA-N 2 1 277.412 2.302 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cnc3ccccn13)C2 ZINC001172098571 815281931 /nfs/dbraw/zinc/28/19/31/815281931.db2.gz FTULOQWOLNJVIY-QDMKHBRRSA-N 2 1 284.407 2.439 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172099528 815282580 /nfs/dbraw/zinc/28/25/80/815282580.db2.gz JHHOZMWUCNHKFV-FZKCQIBNSA-N 2 1 265.445 2.076 20 0 CEADMP CC[NH+]1CCC[C@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099528 815282584 /nfs/dbraw/zinc/28/25/84/815282584.db2.gz JHHOZMWUCNHKFV-FZKCQIBNSA-N 2 1 265.445 2.076 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000700808506 809355806 /nfs/dbraw/zinc/35/58/06/809355806.db2.gz IMSPPRDOKPKXRQ-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000700808506 809355814 /nfs/dbraw/zinc/35/58/14/809355814.db2.gz IMSPPRDOKPKXRQ-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP C[C@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098171 815283146 /nfs/dbraw/zinc/28/31/46/815283146.db2.gz BBXQQHZMAUGOMA-QKGCVVFFSA-N 2 1 252.402 2.016 20 0 CEADMP C[NH2+]Cc1c(C)nn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1C ZINC001172127181 815287689 /nfs/dbraw/zinc/28/76/89/815287689.db2.gz HINOGDPJHRNKNF-QDMKHBRRSA-N 2 1 276.428 2.407 20 0 CEADMP C[NH2+]Cc1c(C)nn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1C ZINC001172127174 815287556 /nfs/dbraw/zinc/28/75/56/815287556.db2.gz HINOGDPJHRNKNF-FICVDOATSA-N 2 1 276.428 2.407 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172126990 815288035 /nfs/dbraw/zinc/28/80/35/815288035.db2.gz FGZSRNBGTHRVMG-YYIAUSFCSA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[C@H]1COCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129372 815288924 /nfs/dbraw/zinc/28/89/24/815288924.db2.gz YVTXUTFCPPAPDA-FXUDXRNXSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[C@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129372 815288927 /nfs/dbraw/zinc/28/89/27/815288927.db2.gz YVTXUTFCPPAPDA-FXUDXRNXSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[C@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129372 815288933 /nfs/dbraw/zinc/28/89/33/815288933.db2.gz YVTXUTFCPPAPDA-FXUDXRNXSA-N 2 1 266.429 2.359 20 0 CEADMP C[N@H+]([C@@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172132042 815291143 /nfs/dbraw/zinc/29/11/43/815291143.db2.gz JOMYKVRBRKKPSN-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+]([C@@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172132042 815291147 /nfs/dbraw/zinc/29/11/47/815291147.db2.gz JOMYKVRBRKKPSN-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]([C@@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172132042 815291152 /nfs/dbraw/zinc/29/11/52/815291152.db2.gz JOMYKVRBRKKPSN-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]([C@@H]1CCCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172132042 815291157 /nfs/dbraw/zinc/29/11/57/815291157.db2.gz JOMYKVRBRKKPSN-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cncnc1 ZINC001172104536 815293298 /nfs/dbraw/zinc/29/32/98/815293298.db2.gz CMFGRGNTBVIKSY-CYUUQNCZSA-N 2 1 260.385 2.143 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1cn3ccccc3n1)C2 ZINC001172104166 815294844 /nfs/dbraw/zinc/29/48/44/815294844.db2.gz AJZKEVMUZGKEBN-BJWYYQGGSA-N 2 1 298.434 2.482 20 0 CEADMP C[NH+](C)[C@H]1CCCC[C@@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105090 815295534 /nfs/dbraw/zinc/29/55/34/815295534.db2.gz GKQACRMBFLVELK-QEOTZNIISA-N 2 1 279.472 2.464 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(=O)CC1)C2 ZINC001172107449 815296499 /nfs/dbraw/zinc/29/64/99/815296499.db2.gz XSDVJLHMIGTCOE-BTTYYORXSA-N 2 1 250.386 2.103 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(=O)CC1)C2 ZINC001172107449 815296501 /nfs/dbraw/zinc/29/65/01/815296501.db2.gz XSDVJLHMIGTCOE-BTTYYORXSA-N 2 1 250.386 2.103 20 0 CEADMP CC[C@H](C)[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)N(C)C ZINC001172108561 815298482 /nfs/dbraw/zinc/29/84/82/815298482.db2.gz BLXUFHMCQNJPEE-GVRJEKJASA-N 2 1 295.471 2.094 20 0 CEADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1C ZINC001172107954 815298986 /nfs/dbraw/zinc/29/89/86/815298986.db2.gz MJBULNBKSLXOLH-QKDCVEJESA-N 2 1 261.413 2.438 20 0 CEADMP CC[N@@H+](CCCNc1nccnc1C[NH3+])C1CCCCC1 ZINC001120943572 815299738 /nfs/dbraw/zinc/29/97/38/815299738.db2.gz HSOXHCGEBRABHP-UHFFFAOYSA-N 2 1 291.443 2.392 20 0 CEADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCCO1 ZINC001172115712 815302747 /nfs/dbraw/zinc/30/27/47/815302747.db2.gz ZERUKLMCWPADIJ-APIJFGDWSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCCO1 ZINC001172115712 815302753 /nfs/dbraw/zinc/30/27/53/815302753.db2.gz ZERUKLMCWPADIJ-APIJFGDWSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCCO1 ZINC001172115712 815302759 /nfs/dbraw/zinc/30/27/59/815302759.db2.gz ZERUKLMCWPADIJ-APIJFGDWSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC001172115712 815302765 /nfs/dbraw/zinc/30/27/65/815302765.db2.gz ZERUKLMCWPADIJ-APIJFGDWSA-N 2 1 252.402 2.113 20 0 CEADMP CCOc1cccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000703613641 809670936 /nfs/dbraw/zinc/67/09/36/809670936.db2.gz HUQJDYIBYJNLBY-GOEBONIOSA-N 2 1 260.381 2.127 20 0 CEADMP CCOc1cccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000703613641 809670939 /nfs/dbraw/zinc/67/09/39/809670939.db2.gz HUQJDYIBYJNLBY-GOEBONIOSA-N 2 1 260.381 2.127 20 0 CEADMP CC(C)OC1CCC([NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000703806388 809692492 /nfs/dbraw/zinc/69/24/92/809692492.db2.gz UUWDQTHWABTHKI-URGYJCLVSA-N 2 1 254.418 2.453 20 0 CEADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@@]1(C)O ZINC001172121867 815311840 /nfs/dbraw/zinc/31/18/40/815311840.db2.gz UONMVSJKLLOUDN-NQNKBUKLSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@@]1(C)O ZINC001172121867 815311846 /nfs/dbraw/zinc/31/18/46/815311846.db2.gz UONMVSJKLLOUDN-NQNKBUKLSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC[C@@]1(C)O ZINC001172121867 815311849 /nfs/dbraw/zinc/31/18/49/815311849.db2.gz UONMVSJKLLOUDN-NQNKBUKLSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC[C@@]1(C)O ZINC001172121867 815311855 /nfs/dbraw/zinc/31/18/55/815311855.db2.gz UONMVSJKLLOUDN-NQNKBUKLSA-N 2 1 280.456 2.485 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206157425 815312416 /nfs/dbraw/zinc/31/24/16/815312416.db2.gz YNDZGFCNJAPMKH-LSDHHAIUSA-N 2 1 266.360 2.347 20 0 CEADMP CC[C@H](C(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1)[NH+](C)C ZINC001035196893 809761477 /nfs/dbraw/zinc/76/14/77/809761477.db2.gz GFVKQGWGEACNQX-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[NH+]3CCC[C@H]3C1)C2 ZINC001172122945 815315628 /nfs/dbraw/zinc/31/56/28/815315628.db2.gz WFDOEOSKUAVPTH-YVSFHVDLSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[N@@H+]3CCC[C@H]3C1)C2 ZINC001172122945 815315634 /nfs/dbraw/zinc/31/56/34/815315634.db2.gz WFDOEOSKUAVPTH-YVSFHVDLSA-N 2 1 277.456 2.172 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[N@H+]3CCC[C@H]3C1)C2 ZINC001172122945 815315640 /nfs/dbraw/zinc/31/56/40/815315640.db2.gz WFDOEOSKUAVPTH-YVSFHVDLSA-N 2 1 277.456 2.172 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCS1 ZINC000707337167 809896843 /nfs/dbraw/zinc/89/68/43/809896843.db2.gz HXZZQHHLPKTCQT-UONOGXRCSA-N 2 1 256.459 2.450 20 0 CEADMP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1)[NH2+]2 ZINC000709464022 809961918 /nfs/dbraw/zinc/96/19/18/809961918.db2.gz GKLDQJULDZUAJZ-HNKHHVNMSA-N 3 1 279.472 2.368 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCC1CCOCC1)C2 ZINC000709801122 809970794 /nfs/dbraw/zinc/97/07/94/809970794.db2.gz PDRCAQJMVSFZAR-JYJNAYRXSA-N 2 1 266.429 2.395 20 0 CEADMP COc1ccc(C[N@@H+](C)CCCCCC[NH3+])cn1 ZINC000710729150 809991951 /nfs/dbraw/zinc/99/19/51/809991951.db2.gz IKXBKSWDWNMPHB-UHFFFAOYSA-N 2 1 251.374 2.041 20 0 CEADMP COc1ccc(C[N@@H+](C)CCCCCC[NH3+])cc1O ZINC000710834558 809995104 /nfs/dbraw/zinc/99/51/04/809995104.db2.gz OGWMBWUKSISOSU-UHFFFAOYSA-N 2 1 266.385 2.352 20 0 CEADMP C([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000711091438 810014599 /nfs/dbraw/zinc/01/45/99/810014599.db2.gz UPLWIVSOADJJHO-CWVYHPPDSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000711091438 810014604 /nfs/dbraw/zinc/01/46/04/810014604.db2.gz UPLWIVSOADJJHO-CWVYHPPDSA-N 2 1 264.413 2.018 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)C1CCCCC1 ZINC000923371535 810089300 /nfs/dbraw/zinc/08/93/00/810089300.db2.gz BSVMCALQYBJLOL-JKSUJKDBSA-N 2 1 298.377 2.495 20 0 CEADMP C[C@@H]1c2sccc2CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000711815970 810098085 /nfs/dbraw/zinc/09/80/85/810098085.db2.gz JGZJDXVSZADSBA-YPMHNXCESA-N 2 1 278.421 2.188 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923503684 810105696 /nfs/dbraw/zinc/10/56/96/810105696.db2.gz KUXCEFQYKYNETI-LSDHHAIUSA-N 2 1 262.397 2.291 20 0 CEADMP CCN(C)c1nc(NCC(C)(C)C[NH+](C)C)[nH+]cc1C ZINC001168763353 810127053 /nfs/dbraw/zinc/12/70/53/810127053.db2.gz VANQFOKBLCFMIG-UHFFFAOYSA-N 2 1 279.432 2.241 20 0 CEADMP Cc1ncc(Br)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205058801 810181011 /nfs/dbraw/zinc/18/10/11/810181011.db2.gz TVBQSDXZJUARMC-UHFFFAOYSA-N 2 1 298.228 2.323 20 0 CEADMP CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001079806646 810234532 /nfs/dbraw/zinc/23/45/32/810234532.db2.gz QKKFWVQLQLVXFA-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001079806646 810234535 /nfs/dbraw/zinc/23/45/35/810234535.db2.gz QKKFWVQLQLVXFA-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001079806646 810234539 /nfs/dbraw/zinc/23/45/39/810234539.db2.gz QKKFWVQLQLVXFA-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014964799 810248565 /nfs/dbraw/zinc/24/85/65/810248565.db2.gz RVOYMMZZOFHRJQ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014964799 810248570 /nfs/dbraw/zinc/24/85/70/810248570.db2.gz RVOYMMZZOFHRJQ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001014964799 810248576 /nfs/dbraw/zinc/24/85/76/810248576.db2.gz RVOYMMZZOFHRJQ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001014964799 810248584 /nfs/dbraw/zinc/24/85/84/810248584.db2.gz RVOYMMZZOFHRJQ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001017127783 810494179 /nfs/dbraw/zinc/49/41/79/810494179.db2.gz PZGMYPHPZGHBMJ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001017127783 810494184 /nfs/dbraw/zinc/49/41/84/810494184.db2.gz PZGMYPHPZGHBMJ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001017127783 810494191 /nfs/dbraw/zinc/49/41/91/810494191.db2.gz PZGMYPHPZGHBMJ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1)C1CC1 ZINC001120072299 810589650 /nfs/dbraw/zinc/58/96/50/810589650.db2.gz STEAQKHMZFRJAW-ZJIFWQFVSA-N 2 1 266.429 2.074 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC(C)C)C2 ZINC001122093904 815384280 /nfs/dbraw/zinc/38/42/80/815384280.db2.gz MJYTWPSTEHPDOG-UHFFFAOYSA-N 2 1 295.471 2.001 20 0 CEADMP COc1ccc2[nH]cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)c2c1 ZINC001206163926 815388498 /nfs/dbraw/zinc/38/84/98/815388498.db2.gz HXMKGAZQMOOKLU-HUUCEWRRSA-N 2 1 291.370 2.438 20 0 CEADMP Cc1cc(N)nc(NC[C@@H](c2cccs2)[NH+](C)C)[nH+]1 ZINC000825269826 810714201 /nfs/dbraw/zinc/71/42/01/810714201.db2.gz CVYVHTZOBPWLGV-JTQLQIEISA-N 2 1 277.397 2.144 20 0 CEADMP COC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000721887620 810852390 /nfs/dbraw/zinc/85/23/90/810852390.db2.gz AKKRTNSTMHEGSG-SOUVJXGZSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCN2CCC[N@@H+](C)CC2)C[C@@H]1C ZINC001172362897 815403305 /nfs/dbraw/zinc/40/33/05/815403305.db2.gz ALQJHFVAPDXASG-PMPSAXMXSA-N 2 1 267.461 2.038 20 0 CEADMP CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001038626664 810875521 /nfs/dbraw/zinc/87/55/21/810875521.db2.gz WOGOHMQQJLZNPX-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001038626664 810875525 /nfs/dbraw/zinc/87/55/25/810875525.db2.gz WOGOHMQQJLZNPX-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001038626664 810875534 /nfs/dbraw/zinc/87/55/34/810875534.db2.gz WOGOHMQQJLZNPX-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP COc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001204088491 815406006 /nfs/dbraw/zinc/40/60/06/815406006.db2.gz FWDIQRGIBXIUHX-SOUVJXGZSA-N 2 1 260.381 2.125 20 0 CEADMP COc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001204088491 815406009 /nfs/dbraw/zinc/40/60/09/815406009.db2.gz FWDIQRGIBXIUHX-SOUVJXGZSA-N 2 1 260.381 2.125 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+]CC2CN(Cc3ccccc3)C2)CC1 ZINC000716282582 810926807 /nfs/dbraw/zinc/92/68/07/810926807.db2.gz WXXPPFLZCOFWOF-GOSISDBHSA-N 2 1 287.451 2.192 20 0 CEADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)C1)[NH+](C)C ZINC001155289079 811030655 /nfs/dbraw/zinc/03/06/55/811030655.db2.gz IWYCZBYZSXFNFE-KNIAUWFNSA-N 2 1 297.487 2.199 20 0 CEADMP CCOCC[C@H](C)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001172428030 815418810 /nfs/dbraw/zinc/41/88/10/815418810.db2.gz WLHXLTKGJAMXCS-ZDUSSCGKSA-N 2 1 254.418 2.360 20 0 CEADMP CCOCC[C@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001172428030 815418813 /nfs/dbraw/zinc/41/88/13/815418813.db2.gz WLHXLTKGJAMXCS-ZDUSSCGKSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+](C)CCOc1ccc(C2=CCC[N@@H+](C)C2)cc1F ZINC001241571668 811116729 /nfs/dbraw/zinc/11/67/29/811116729.db2.gz GDCZVGLSEYUUIQ-UHFFFAOYSA-N 2 1 278.371 2.485 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC001168801335 811248973 /nfs/dbraw/zinc/24/89/73/811248973.db2.gz OWGNIBPLIMQKJM-OCCSQVGLSA-N 2 1 297.443 2.068 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]([NH3+])C2)nc1 ZINC001156232967 811293407 /nfs/dbraw/zinc/29/34/07/811293407.db2.gz NAQZYQROMPXXPS-HUUCEWRRSA-N 2 1 274.412 2.166 20 0 CEADMP Cc1cnc(C[NH3+])n1-c1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC001169027437 811340334 /nfs/dbraw/zinc/34/03/34/811340334.db2.gz FXUCZSKBPTZIAD-AWEZNQCLSA-N 2 1 285.395 2.191 20 0 CEADMP C[NH+](C)[C@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099123 811369511 /nfs/dbraw/zinc/36/95/11/811369511.db2.gz NTVHIQMQDBTCSY-QMHWVQJVSA-N 2 1 265.445 2.074 20 0 CEADMP CN(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC001169081549 811375866 /nfs/dbraw/zinc/37/58/66/811375866.db2.gz SUKXHBVEQOFGPR-ZSOGYDGISA-N 2 1 297.443 2.068 20 0 CEADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169089331 811380050 /nfs/dbraw/zinc/38/00/50/811380050.db2.gz BLLIJGNUJYONHT-QDMKHBRRSA-N 2 1 260.381 2.410 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(C(N)=[NH2+])c1ccccc1F)C2 ZINC001169091419 811383527 /nfs/dbraw/zinc/38/35/27/811383527.db2.gz QRGZQCOQHNCCIU-ZSBIGDGJSA-N 2 1 276.359 2.151 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC(C)(C)C[C@]1(C)CO)C2 ZINC001169124842 811393507 /nfs/dbraw/zinc/39/35/07/811393507.db2.gz FFNHEYWUGXOMKQ-ORIJERBGSA-N 2 1 266.429 2.095 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC(C)(C)C[C@]1(C)CO)C2 ZINC001169124842 811393515 /nfs/dbraw/zinc/39/35/15/811393515.db2.gz FFNHEYWUGXOMKQ-ORIJERBGSA-N 2 1 266.429 2.095 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC(C)(C)C[C@]1(C)CO)C2 ZINC001169124842 811393521 /nfs/dbraw/zinc/39/35/21/811393521.db2.gz FFNHEYWUGXOMKQ-ORIJERBGSA-N 2 1 266.429 2.095 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC(C)(C)C[C@]1(C)CO)C2 ZINC001169124842 811393529 /nfs/dbraw/zinc/39/35/29/811393529.db2.gz FFNHEYWUGXOMKQ-ORIJERBGSA-N 2 1 266.429 2.095 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3cc(O)ccc3C1)C2 ZINC001169131170 811399134 /nfs/dbraw/zinc/39/91/34/811399134.db2.gz QTRRPAGGISRUCX-ZSHCYNCHSA-N 2 1 272.392 2.376 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3cc(O)ccc3C1)C2 ZINC001169131170 811399141 /nfs/dbraw/zinc/39/91/41/811399141.db2.gz QTRRPAGGISRUCX-ZSHCYNCHSA-N 2 1 272.392 2.376 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCc3cc(O)ccc3C1)C2 ZINC001169131170 811399148 /nfs/dbraw/zinc/39/91/48/811399148.db2.gz QTRRPAGGISRUCX-ZSHCYNCHSA-N 2 1 272.392 2.376 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCc3cc(O)ccc3C1)C2 ZINC001169131170 811399155 /nfs/dbraw/zinc/39/91/55/811399155.db2.gz QTRRPAGGISRUCX-ZSHCYNCHSA-N 2 1 272.392 2.376 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](Oc3cccnc3)C1)C2 ZINC001169139698 811401234 /nfs/dbraw/zinc/40/12/34/811401234.db2.gz DPXBUYRATSLNLX-IVSAIRAKSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H](Oc3cccnc3)C1)C2 ZINC001169139698 811401239 /nfs/dbraw/zinc/40/12/39/811401239.db2.gz DPXBUYRATSLNLX-IVSAIRAKSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H](Oc3cccnc3)C1)C2 ZINC001169139698 811401244 /nfs/dbraw/zinc/40/12/44/811401244.db2.gz DPXBUYRATSLNLX-IVSAIRAKSA-N 2 1 287.407 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CC[NH+](CC(C)(C)C)C1)C2 ZINC001169109418 811404410 /nfs/dbraw/zinc/40/44/10/811404410.db2.gz ICXWSKUEZVVKIY-YHUYYLMFSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CC[N@H+](CC(C)(C)C)C1)C2 ZINC001169109418 811404416 /nfs/dbraw/zinc/40/44/16/811404416.db2.gz ICXWSKUEZVVKIY-YHUYYLMFSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CC[N@@H+](CC(C)(C)C)C1)C2 ZINC001169109418 811404420 /nfs/dbraw/zinc/40/44/20/811404420.db2.gz ICXWSKUEZVVKIY-YHUYYLMFSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccnc1[C@@H]1CCC[NH2+]C1)C2 ZINC001169147690 811412522 /nfs/dbraw/zinc/41/25/22/811412522.db2.gz VWRRMOXKLRJPDZ-KBXIAJHMSA-N 2 1 274.412 2.148 20 0 CEADMP CC[C@H](C)[C@@H](C(=O)OC)N(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153735 811413912 /nfs/dbraw/zinc/41/39/12/811413912.db2.gz LMPUKPOSPQRJBL-RMEBNNNOSA-N 2 1 282.428 2.131 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169152297 811414506 /nfs/dbraw/zinc/41/45/06/811414506.db2.gz BUOSGBAAASYGBI-QKPAOTATSA-N 2 1 265.445 2.026 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169152297 811414510 /nfs/dbraw/zinc/41/45/10/811414510.db2.gz BUOSGBAAASYGBI-QKPAOTATSA-N 2 1 265.445 2.026 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169152297 811414514 /nfs/dbraw/zinc/41/45/14/811414514.db2.gz BUOSGBAAASYGBI-QKPAOTATSA-N 2 1 265.445 2.026 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CCC(CCO)CC2)CC1 ZINC001169239237 811457032 /nfs/dbraw/zinc/45/70/32/811457032.db2.gz TXQWAEARABBUOZ-UHFFFAOYSA-N 2 1 254.418 2.002 20 0 CEADMP CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100320802 811520250 /nfs/dbraw/zinc/52/02/50/811520250.db2.gz TZSJJFWXNXXMPH-GPANFISMSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)nc2F)CCC[C@@H]1C[NH3+] ZINC001206013077 811576896 /nfs/dbraw/zinc/57/68/96/811576896.db2.gz PEURIYXKWIQYHW-CHWSQXEVSA-N 2 1 294.418 2.094 20 0 CEADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550099 815459511 /nfs/dbraw/zinc/45/95/11/815459511.db2.gz BZRRVAHWTKEBCR-BZUAXINKSA-N 2 1 290.407 2.193 20 0 CEADMP CCN(C)c1nc(NC(C)(C)CC[NH+](C)C)[nH+]cc1C ZINC001169711597 811637335 /nfs/dbraw/zinc/63/73/35/811637335.db2.gz NDYHVBROQJUTIQ-UHFFFAOYSA-N 2 1 279.432 2.383 20 0 CEADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169797287 811664415 /nfs/dbraw/zinc/66/44/15/811664415.db2.gz CWDWXMLFGMTIHH-GJZGRUSLSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169797853 811665050 /nfs/dbraw/zinc/66/50/50/811665050.db2.gz JTRIZTIGNUSDHT-ZBFHGGJFSA-N 2 1 295.471 2.145 20 0 CEADMP c1[nH]c2ccc(NCC34CC[NH+](CC3)CC4)cc2[nH+]1 ZINC001169801697 811667117 /nfs/dbraw/zinc/66/71/17/811667117.db2.gz GRGYBKUSWLLHLV-UHFFFAOYSA-N 2 1 256.353 2.461 20 0 CEADMP CCOc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC001206023315 811699063 /nfs/dbraw/zinc/69/90/63/811699063.db2.gz FUPFTXSSXJASDK-OCCSQVGLSA-N 2 1 295.402 2.426 20 0 CEADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCCC3(C2)OCCO3)[C@H](C)C1 ZINC001169934732 811716141 /nfs/dbraw/zinc/71/61/41/811716141.db2.gz FIKCCKXQWFRRHY-PMPSAXMXSA-N 2 1 296.455 2.381 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)CCO1 ZINC001204090841 815477035 /nfs/dbraw/zinc/47/70/35/815477035.db2.gz YJVDCJUZADTDIT-LJIZCISZSA-N 2 1 266.429 2.120 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC001172635361 815480154 /nfs/dbraw/zinc/48/01/54/815480154.db2.gz XDIMIBOKIZQWFP-CABCVRRESA-N 2 1 294.439 2.136 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206027288 811854399 /nfs/dbraw/zinc/85/43/99/811854399.db2.gz VSABBSWTGMHVKY-QWHCGFSZSA-N 2 1 278.396 2.208 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(C)C ZINC001109462099 811894029 /nfs/dbraw/zinc/89/40/29/811894029.db2.gz BIGBXKIEGYONND-ILXRZTDVSA-N 2 1 295.471 2.094 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(C)C ZINC001109462099 811894038 /nfs/dbraw/zinc/89/40/38/811894038.db2.gz BIGBXKIEGYONND-ILXRZTDVSA-N 2 1 295.471 2.094 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001109462099 811894044 /nfs/dbraw/zinc/89/40/44/811894044.db2.gz BIGBXKIEGYONND-ILXRZTDVSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673124 811926386 /nfs/dbraw/zinc/92/63/86/811926386.db2.gz DXOFVGFVYPUPRW-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1C[C@H]2CN(Cc3[nH]c(CC)[nH+]c3C)C[C@H]2C1 ZINC001203251051 815487033 /nfs/dbraw/zinc/48/70/33/815487033.db2.gz KZWUNKHRPPWAJI-OKILXGFUSA-N 2 1 276.428 2.054 20 0 CEADMP CCC[N@@H+]1C[C@H]2CN(Cc3[nH]c(CC)[nH+]c3C)C[C@H]2C1 ZINC001203251051 815487035 /nfs/dbraw/zinc/48/70/35/815487035.db2.gz KZWUNKHRPPWAJI-OKILXGFUSA-N 2 1 276.428 2.054 20 0 CEADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109729046 811934859 /nfs/dbraw/zinc/93/48/59/811934859.db2.gz QVMSYVJRQIXNLQ-ILXRZTDVSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109729046 811934865 /nfs/dbraw/zinc/93/48/65/811934865.db2.gz QVMSYVJRQIXNLQ-ILXRZTDVSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109729046 811934868 /nfs/dbraw/zinc/93/48/68/811934868.db2.gz QVMSYVJRQIXNLQ-ILXRZTDVSA-N 2 1 295.471 2.094 20 0 CEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206173099 815489261 /nfs/dbraw/zinc/48/92/61/815489261.db2.gz DVMBJHAEEFHXQA-KBPBESRZSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206173099 815489264 /nfs/dbraw/zinc/48/92/64/815489264.db2.gz DVMBJHAEEFHXQA-KBPBESRZSA-N 2 1 254.324 2.395 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112842974 812085432 /nfs/dbraw/zinc/08/54/32/812085432.db2.gz HQBNHGHBWRWKMJ-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112842974 812085447 /nfs/dbraw/zinc/08/54/47/812085447.db2.gz HQBNHGHBWRWKMJ-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+](C)CC(=O)N1CC[NH+](CCCC2CCC2)CC1 ZINC001113573962 812280754 /nfs/dbraw/zinc/28/07/54/812280754.db2.gz LSCSRVINSLFAIQ-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCCC2CCC2)CC1 ZINC001113573962 812280761 /nfs/dbraw/zinc/28/07/61/812280761.db2.gz LSCSRVINSLFAIQ-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CC[C@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CCO1 ZINC001170237568 812351577 /nfs/dbraw/zinc/35/15/77/812351577.db2.gz XBIRKRHBCJAQPB-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP CC[C@@H]1C[C@H]([NH+]2CCC([NH+]3CCC3)CC2)CCO1 ZINC001170242701 812352695 /nfs/dbraw/zinc/35/26/95/812352695.db2.gz KEWBDRNCPCWISL-HUUCEWRRSA-N 2 1 252.402 2.114 20 0 CEADMP Cc1c(NC(=O)C(C)(C)C)cc[nH+]c1NCC1C[NH+](C)C1 ZINC001170252946 812370781 /nfs/dbraw/zinc/37/07/81/812370781.db2.gz VFBQWPMJSVIIBV-UHFFFAOYSA-N 2 1 290.411 2.348 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H](n2cc[nH+]c2CCC[NH3+])CC1 ZINC001172786147 815521677 /nfs/dbraw/zinc/52/16/77/815521677.db2.gz QOOCBFBKGVVRIG-CHWSQXEVSA-N 2 1 279.384 2.069 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3cccnc3c2)CC[C@@H]1F ZINC001206174994 815523091 /nfs/dbraw/zinc/52/30/91/815523091.db2.gz RBGQIKMPKOQQNR-LSDHHAIUSA-N 2 1 273.355 2.496 20 0 CEADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)C[C@H](C)C[NH3+] ZINC001170418827 812413410 /nfs/dbraw/zinc/41/34/10/812413410.db2.gz BKFFTQUNQSDMGW-OCCSQVGLSA-N 2 1 278.396 2.263 20 0 CEADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052762675 812457986 /nfs/dbraw/zinc/45/79/86/812457986.db2.gz AMJFFORYUFONED-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938307 812476219 /nfs/dbraw/zinc/47/62/19/812476219.db2.gz VHDZNGBXLWZUHT-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCC/C=C/CC[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129842269 812512890 /nfs/dbraw/zinc/51/28/90/812512890.db2.gz VIQUKCBQVADSSL-SQRWCISFSA-N 2 1 295.471 2.313 20 0 CEADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CCC(C)(C)C ZINC001129841866 812513044 /nfs/dbraw/zinc/51/30/44/812513044.db2.gz QJLWSTREUBVSMD-AWEZNQCLSA-N 2 1 283.460 2.003 20 0 CEADMP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](C(C)C)C2)C1)[NH+](C)C ZINC001054198609 812549438 /nfs/dbraw/zinc/54/94/38/812549438.db2.gz BCIYOVXXEXBVGZ-RDJZCZTQSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1c(C[NH+]2CC3(C2)CC[NH+](C)CC3)nc2ccccn12 ZINC001137274337 812563889 /nfs/dbraw/zinc/56/38/89/812563889.db2.gz PYWAHAQXWXUDEB-UHFFFAOYSA-N 2 1 284.407 2.170 20 0 CEADMP Cc1ccc2ncc(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)n2c1 ZINC001137306091 812599332 /nfs/dbraw/zinc/59/93/32/812599332.db2.gz IEHUMLZTVLQCFZ-CABCVRRESA-N 2 1 284.407 2.026 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)n2c1 ZINC001137306091 812599336 /nfs/dbraw/zinc/59/93/36/812599336.db2.gz IEHUMLZTVLQCFZ-CABCVRRESA-N 2 1 284.407 2.026 20 0 CEADMP Cc1ccc2ncc(C[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)n2c1 ZINC001137306091 812599339 /nfs/dbraw/zinc/59/93/39/812599339.db2.gz IEHUMLZTVLQCFZ-CABCVRRESA-N 2 1 284.407 2.026 20 0 CEADMP Cc1c[nH+]c(N[C@@H](C)[C@H]2C[NH2+]CCO2)c2ccccc12 ZINC001170565592 812683235 /nfs/dbraw/zinc/68/32/35/812683235.db2.gz VUOGUCQLMNTXGD-SWLSCSKDSA-N 2 1 271.364 2.332 20 0 CEADMP CCCCCC[C@@H](CC)[NH2+]CCC[NH+](CCO)CCO ZINC001170580364 812708136 /nfs/dbraw/zinc/70/81/36/812708136.db2.gz DRLBFSHCAIYVLT-MRXNPFEDSA-N 2 1 288.476 2.002 20 0 CEADMP CC(C)CC[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131822301 812732000 /nfs/dbraw/zinc/73/20/00/812732000.db2.gz MKANFNJDWAVXSK-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP CCCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132519118 812873083 /nfs/dbraw/zinc/87/30/83/812873083.db2.gz SQAWLIOCUYBJCK-HZPDHXFCSA-N 2 1 297.487 2.486 20 0 CEADMP CCCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132519118 812873091 /nfs/dbraw/zinc/87/30/91/812873091.db2.gz SQAWLIOCUYBJCK-HZPDHXFCSA-N 2 1 297.487 2.486 20 0 CEADMP CCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132519118 812873096 /nfs/dbraw/zinc/87/30/96/812873096.db2.gz SQAWLIOCUYBJCK-HZPDHXFCSA-N 2 1 297.487 2.486 20 0 CEADMP CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132938507 812961116 /nfs/dbraw/zinc/96/11/16/812961116.db2.gz UZYNWKOQDUXJCK-LSDHHAIUSA-N 2 1 297.487 2.201 20 0 CEADMP [NH3+]CCc1c[nH+]cn1C1CCC2(CCOCC2)CC1 ZINC001173036873 815567928 /nfs/dbraw/zinc/56/79/28/815567928.db2.gz CLDKYRIWLSVOLC-UHFFFAOYSA-N 2 1 263.385 2.296 20 0 CEADMP CSCC1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000385612062 813140192 /nfs/dbraw/zinc/14/01/92/813140192.db2.gz CAZPCOYTUYFCQB-CKUJCDMFSA-N 2 1 298.496 2.361 20 0 CEADMP CSCC1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000385612062 813140194 /nfs/dbraw/zinc/14/01/94/813140194.db2.gz CAZPCOYTUYFCQB-CKUJCDMFSA-N 2 1 298.496 2.361 20 0 CEADMP CC(C)[C@H](C(=O)N1CCC[N@H+](C(C)C)CC1)[NH+]1CCCC1 ZINC000068777234 813143529 /nfs/dbraw/zinc/14/35/29/813143529.db2.gz VRAONSIOKVNECU-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCOC1 ZINC000388873220 813244246 /nfs/dbraw/zinc/24/42/46/813244246.db2.gz LLPBBIFRRAIOAF-MLQJFRMTSA-N 2 1 252.402 2.016 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)c1ccccc1Cl ZINC000389062842 813247221 /nfs/dbraw/zinc/24/72/21/813247221.db2.gz SUYVLUKNBOYAGN-AWEZNQCLSA-N 2 1 279.771 2.168 20 0 CEADMP C[N@H+]1CCC[C@H](N2CCCC[C@H]2C[NH+]2CCCC2)C1 ZINC001255485480 813420475 /nfs/dbraw/zinc/42/04/75/813420475.db2.gz CJKXDBUQDHSZGM-HOTGVXAUSA-N 2 1 265.445 2.031 20 0 CEADMP CC1CCC([NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC001255486223 813436996 /nfs/dbraw/zinc/43/69/96/813436996.db2.gz JZKZAWXIABQKCR-JCYILVPMSA-N 2 1 279.472 2.277 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071870984 813503504 /nfs/dbraw/zinc/50/35/04/813503504.db2.gz FIFJYHUVMRQUGF-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]C(C)C)CC[N@H+]1C ZINC001170871273 813567554 /nfs/dbraw/zinc/56/75/54/813567554.db2.gz MQIJMVHHCKLSQR-HRCADAONSA-N 2 1 297.487 2.390 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000396564937 813573751 /nfs/dbraw/zinc/57/37/51/813573751.db2.gz JNMJIULYLRQCED-CGTJXYLNSA-N 2 1 287.451 2.239 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246102577 813694324 /nfs/dbraw/zinc/69/43/24/813694324.db2.gz RPQAPRWNJWVXSI-DGADGQDISA-N 3 1 267.461 2.131 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]C[C@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246102579 813694285 /nfs/dbraw/zinc/69/42/85/813694285.db2.gz RPQAPRWNJWVXSI-DGXTUMSLSA-N 3 1 267.461 2.131 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000399271778 813706847 /nfs/dbraw/zinc/70/68/47/813706847.db2.gz UONIJMDBHNOJLZ-UWVGGRQHSA-N 2 1 251.201 2.241 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246171039 813719791 /nfs/dbraw/zinc/71/97/91/813719791.db2.gz PNPIKMQECITRBR-XUWVNRHRSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246171036 813719813 /nfs/dbraw/zinc/71/98/13/813719813.db2.gz PNPIKMQECITRBR-QXSJWSMHSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCOc2cccc(Cl)c2)C[NH2+]1 ZINC001246174205 813721214 /nfs/dbraw/zinc/72/12/14/813721214.db2.gz JPSLSOHVJGBVEQ-WCQYABFASA-N 2 1 268.788 2.449 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCOc2cccc(Cl)c2)C[NH2+]1 ZINC001246174207 813721524 /nfs/dbraw/zinc/72/15/24/813721524.db2.gz JPSLSOHVJGBVEQ-YPMHNXCESA-N 2 1 268.788 2.449 20 0 CEADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC001246262192 813754450 /nfs/dbraw/zinc/75/44/50/813754450.db2.gz HXIKRVYNSDPMOR-BZUAXINKSA-N 2 1 260.381 2.248 20 0 CEADMP Cc1cccn2c(C[NH+]3CC4(C3)CC[NH+](C)CC4)cnc12 ZINC001136965945 813806090 /nfs/dbraw/zinc/80/60/90/813806090.db2.gz GBSVMLLQULKZAP-UHFFFAOYSA-N 2 1 284.407 2.170 20 0 CEADMP CCCCOC(=O)CC[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC001246504835 813879126 /nfs/dbraw/zinc/87/91/26/813879126.db2.gz UPHLLJBQERHFEU-KBPBESRZSA-N 2 1 272.433 2.461 20 0 CEADMP C[N@@H+](CCO)CCC[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171113644 813884985 /nfs/dbraw/zinc/88/49/85/813884985.db2.gz UNTWUQGIFMIAPN-INIZCTEOSA-N 2 1 296.842 2.101 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@H+](C2CCC(C(F)(F)F)CC2)CC1 ZINC001246543395 813964333 /nfs/dbraw/zinc/96/43/33/813964333.db2.gz MZDAISYXWRBGDA-WXRRBKDZSA-N 2 1 294.361 2.283 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@H+](C2CCC(C(F)(F)F)CC2)CC1 ZINC001246543385 813964533 /nfs/dbraw/zinc/96/45/33/813964533.db2.gz MZDAISYXWRBGDA-BPCQOVAHSA-N 2 1 294.361 2.283 20 0 CEADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099340779 814001387 /nfs/dbraw/zinc/00/13/87/814001387.db2.gz ZAASVSKRRVNZSV-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC001255965115 814064213 /nfs/dbraw/zinc/06/42/13/814064213.db2.gz XUINBAAEKZWWTG-GDBMZVCRSA-N 2 1 284.444 2.382 20 0 CEADMP CC[C@@H]1CC([N@@H+]2CC[C@](N)(C(F)(F)F)C2)C[C@@H](CC)[NH2+]1 ZINC001246570314 814083237 /nfs/dbraw/zinc/08/32/37/814083237.db2.gz PARVJUKLMBYSBZ-NQBHXWOUSA-N 2 1 293.377 2.261 20 0 CEADMP CC[C@@H]1CC([N@H+]2CC[C@](N)(C(F)(F)F)C2)C[C@@H](CC)[NH2+]1 ZINC001246570314 814083240 /nfs/dbraw/zinc/08/32/40/814083240.db2.gz PARVJUKLMBYSBZ-NQBHXWOUSA-N 2 1 293.377 2.261 20 0 CEADMP C(C1CCC1)[NH+]1CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC001256070706 814102755 /nfs/dbraw/zinc/10/27/55/814102755.db2.gz CIPYWSUKZCLHRI-UHFFFAOYSA-N 2 1 291.483 2.467 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001246585511 814166989 /nfs/dbraw/zinc/16/69/89/814166989.db2.gz XQVJRMJTBJJHEN-STQMWFEESA-N 2 1 277.403 2.165 20 0 CEADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CCCC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246588517 814181131 /nfs/dbraw/zinc/18/11/31/814181131.db2.gz ZUEGOKFBPGAVKS-OWCLPIDISA-N 3 1 267.461 2.214 20 0 CEADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)CC[NH2+]1 ZINC001246588517 814181137 /nfs/dbraw/zinc/18/11/37/814181137.db2.gz ZUEGOKFBPGAVKS-OWCLPIDISA-N 3 1 267.461 2.214 20 0 CEADMP c1nc2c(s1)C[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246607625 814207830 /nfs/dbraw/zinc/20/78/30/814207830.db2.gz GWDFCCDCKTYQEQ-IUODEOHRSA-N 2 1 277.437 2.218 20 0 CEADMP c1nc2c(s1)C[C@H]([N@@H+]1CCC[C@@]13CCC[NH2+]C3)CC2 ZINC001246607625 814207836 /nfs/dbraw/zinc/20/78/36/814207836.db2.gz GWDFCCDCKTYQEQ-IUODEOHRSA-N 2 1 277.437 2.218 20 0 CEADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171261252 814243006 /nfs/dbraw/zinc/24/30/06/814243006.db2.gz SAATWTAKUMRQMV-OAHLLOKOSA-N 2 1 297.487 2.391 20 0 CEADMP COc1ccccc1CC[N@@H+](C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246813947 814266507 /nfs/dbraw/zinc/26/65/07/814266507.db2.gz MYXWIYIOWUXEIY-UKRRQHHQSA-N 2 1 262.397 2.310 20 0 CEADMP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146332728 814275025 /nfs/dbraw/zinc/27/50/25/814275025.db2.gz JSFQGWYNLMVUIN-KBPBESRZSA-N 2 1 292.427 2.031 20 0 CEADMP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146332737 814275215 /nfs/dbraw/zinc/27/52/15/814275215.db2.gz JSFQGWYNLMVUIN-ZIAGYGMSSA-N 2 1 292.427 2.031 20 0 CEADMP [NH3+][C@]12CC[C@@H]1C[N@@H+]([C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001246852698 814290426 /nfs/dbraw/zinc/29/04/26/814290426.db2.gz JTDNGVRLHXSTPZ-YUELXQCFSA-N 2 1 262.784 2.230 20 0 CEADMP [NH3+][C@]12CC[C@@H]1C[N@H+]([C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001246852698 814290434 /nfs/dbraw/zinc/29/04/34/814290434.db2.gz JTDNGVRLHXSTPZ-YUELXQCFSA-N 2 1 262.784 2.230 20 0 CEADMP CC[C@@H]1CC[C@@H]([N@H+](CCOC)[C@@H]2CCC[NH2+]C2)C1 ZINC001246930290 814440659 /nfs/dbraw/zinc/44/06/59/814440659.db2.gz TZMRATRXCSLQIO-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1CC[C@@H]([N@@H+](CCOC)[C@@H]2CCC[NH2+]C2)C1 ZINC001246930290 814440667 /nfs/dbraw/zinc/44/06/67/814440667.db2.gz TZMRATRXCSLQIO-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CCC/C=C\CC[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148571182 814580143 /nfs/dbraw/zinc/58/01/43/814580143.db2.gz ZJVAHSSOFDKFJE-FPLPWBNLSA-N 2 1 283.460 2.171 20 0 CEADMP C[C@H](CC[NH2+]Cc1ccc(C(C)(C)O)cc1)[NH+](C)C ZINC000697908119 814654151 /nfs/dbraw/zinc/65/41/51/814654151.db2.gz IRQCBSMBDXQJKP-CYBMUJFWSA-N 2 1 264.413 2.344 20 0 CEADMP [NH3+]CCC[C@H]([NH3+])c1nc(-c2cccc(F)c2Cl)no1 ZINC001247508382 814684650 /nfs/dbraw/zinc/68/46/50/814684650.db2.gz QYNIOLOXIVOBBF-VIFPVBQESA-N 2 1 284.722 2.268 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](C)CCN(C)C)CC1 ZINC001173107988 815582882 /nfs/dbraw/zinc/58/28/82/815582882.db2.gz AGPYWLGADXSYOB-UHFFFAOYSA-N 2 1 255.450 2.133 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3C[C@H]2CN3C)CC1 ZINC001173113647 815584631 /nfs/dbraw/zinc/58/46/31/815584631.db2.gz ZBCYAOKDBDPBQF-CKUJCDMFSA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]2COC)CC1 ZINC001173116996 815585695 /nfs/dbraw/zinc/58/56/95/815585695.db2.gz HYFJFXCNNYAEBH-YMAMQOFZSA-N 2 1 254.418 2.360 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCC3(CCC3)O1)C2 ZINC000712462457 814747982 /nfs/dbraw/zinc/74/79/82/814747982.db2.gz HRQPBBJREWTVRM-ZNMIVQPWSA-N 2 1 264.413 2.149 20 0 CEADMP C([C@@H]1CCC2(CCC2)O1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000712485504 814749421 /nfs/dbraw/zinc/74/94/21/814749421.db2.gz MWDPLWAUYAPGEN-QLFBSQMISA-N 2 1 264.413 2.162 20 0 CEADMP c1ccc(COCC[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000713261651 814848177 /nfs/dbraw/zinc/84/81/77/814848177.db2.gz IFNVSMCCFRARKJ-UHFFFAOYSA-N 2 1 274.408 2.421 20 0 CEADMP c1ccc(COCC[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000713261651 814848180 /nfs/dbraw/zinc/84/81/80/814848180.db2.gz IFNVSMCCFRARKJ-UHFFFAOYSA-N 2 1 274.408 2.421 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000713595430 814865219 /nfs/dbraw/zinc/86/52/19/814865219.db2.gz GBXGGJASJBVCRY-MGPQQGTHSA-N 2 1 254.418 2.108 20 0 CEADMP CC1(C)CC[C@@H](C[N@@H+]2CCCCC[C@H]([NH3+])C2)OC1 ZINC000713586720 814866066 /nfs/dbraw/zinc/86/60/66/814866066.db2.gz MYFXXQFHUDOYNA-KBPBESRZSA-N 2 1 254.418 2.395 20 0 CEADMP CC1(C)CC[C@@H](C[N@H+]2CCCCC[C@H]([NH3+])C2)OC1 ZINC000713586720 814866070 /nfs/dbraw/zinc/86/60/70/814866070.db2.gz MYFXXQFHUDOYNA-KBPBESRZSA-N 2 1 254.418 2.395 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CC[NH2+]CCC2(C)C)O1 ZINC000714320659 814893906 /nfs/dbraw/zinc/89/39/06/814893906.db2.gz LGEWFCDGZHKITE-CYBMUJFWSA-N 2 1 254.418 2.408 20 0 CEADMP CC[N@H+]1CC[C@H](NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001173349619 815685325 /nfs/dbraw/zinc/68/53/25/815685325.db2.gz JFXJTARWNWVRHS-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@@H](n2cc(CC[NH3+])c3ccc(OC)cc32)C1 ZINC001173356443 815697889 /nfs/dbraw/zinc/69/78/89/815697889.db2.gz CVWGECBVXKRANG-CQSZACIVSA-N 2 1 287.407 2.418 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001173368392 815704770 /nfs/dbraw/zinc/70/47/70/815704770.db2.gz PFGKZCMUDSQNKU-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CC[C@@H](N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001173368392 815704772 /nfs/dbraw/zinc/70/47/72/815704772.db2.gz PFGKZCMUDSQNKU-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CC[C@@H](N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001173368392 815704775 /nfs/dbraw/zinc/70/47/75/815704775.db2.gz PFGKZCMUDSQNKU-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001173437288 815714610 /nfs/dbraw/zinc/71/46/10/815714610.db2.gz KYPUDTOWXCWASB-LSDHHAIUSA-N 2 1 284.444 2.430 20 0 CEADMP COc1ccc(F)c(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1 ZINC001137997730 815715476 /nfs/dbraw/zinc/71/54/76/815715476.db2.gz ZXOPLGPNYBVWQW-UHFFFAOYSA-N 2 1 278.371 2.362 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173479735 815725784 /nfs/dbraw/zinc/72/57/84/815725784.db2.gz MGFDGEIRKWMUQH-HWPZZCPQSA-N 2 1 280.362 2.362 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173479735 815725788 /nfs/dbraw/zinc/72/57/88/815725788.db2.gz MGFDGEIRKWMUQH-HWPZZCPQSA-N 2 1 280.362 2.362 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001173454771 815735263 /nfs/dbraw/zinc/73/52/63/815735263.db2.gz IFTOJMTZMSWTKR-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC3(COC3)C2)cc1 ZINC001138544535 815823991 /nfs/dbraw/zinc/82/39/91/815823991.db2.gz LBYDSRZSZBWODS-UHFFFAOYSA-N 2 1 283.375 2.403 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC3(COC3)C2)cc1 ZINC001138544535 815824000 /nfs/dbraw/zinc/82/40/00/815824000.db2.gz LBYDSRZSZBWODS-UHFFFAOYSA-N 2 1 283.375 2.403 20 0 CEADMP C[N@H+](Cc1cn2c(cccc2F)n1)CC1CC[NH+](C)CC1 ZINC001139567600 816051312 /nfs/dbraw/zinc/05/13/12/816051312.db2.gz WVTGDDDBBAYOHZ-UHFFFAOYSA-N 2 1 290.386 2.247 20 0 CEADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174906710 816107303 /nfs/dbraw/zinc/10/73/03/816107303.db2.gz WUIIGOPQYPBVRX-PMPSAXMXSA-N 2 1 297.487 2.390 20 0 CEADMP Cc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cn1 ZINC001139933749 816143762 /nfs/dbraw/zinc/14/37/62/816143762.db2.gz PBUWQLWZDJHHDP-UHFFFAOYSA-N 2 1 282.391 2.416 20 0 CEADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175255846 816163002 /nfs/dbraw/zinc/16/30/02/816163002.db2.gz HSCWUKMJPUDTMR-JKSUJKDBSA-N 2 1 297.487 2.391 20 0 CEADMP C[N@H+]1CCc2ncc(Nc3ccc(C[NH3+])cc3)cc2C1 ZINC001175965990 816309452 /nfs/dbraw/zinc/30/94/52/816309452.db2.gz CKGXMNKTTSEXEM-UHFFFAOYSA-N 2 1 268.364 2.272 20 0 CEADMP CC(=O)N1CCC[C@H]([N@@H+](C)Cc2c[nH]c3ccncc23)C1 ZINC001140805453 816366829 /nfs/dbraw/zinc/36/68/29/816366829.db2.gz GCLRXPGPMPILMK-AWEZNQCLSA-N 2 1 286.379 2.006 20 0 CEADMP CC(=O)N1CCC[C@H]([N@H+](C)Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805453 816366851 /nfs/dbraw/zinc/36/68/51/816366851.db2.gz GCLRXPGPMPILMK-AWEZNQCLSA-N 2 1 286.379 2.006 20 0 CEADMP CC(=O)N1CCC[C@H]([N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805453 816366858 /nfs/dbraw/zinc/36/68/58/816366858.db2.gz GCLRXPGPMPILMK-AWEZNQCLSA-N 2 1 286.379 2.006 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001176267407 816384929 /nfs/dbraw/zinc/38/49/29/816384929.db2.gz BSASUBSDTJFMGG-HNNXBMFYSA-N 2 1 285.476 2.393 20 0 CEADMP C[C@@H]1CCC[N@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140969225 816428647 /nfs/dbraw/zinc/42/86/47/816428647.db2.gz ZQICGIRYFCKECN-OAHLLOKOSA-N 2 1 273.424 2.423 20 0 CEADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176564018 816441561 /nfs/dbraw/zinc/44/15/61/816441561.db2.gz JWBHEKWIRIDKNQ-CABCVRRESA-N 2 1 283.460 2.003 20 0 CEADMP C[NH+](C)CCO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001206288138 816497709 /nfs/dbraw/zinc/49/77/09/816497709.db2.gz WACLHFGETRDIPX-RCCFBDPRSA-N 2 1 288.435 2.475 20 0 CEADMP Cc1cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)ccc1Cl ZINC001141236742 816509723 /nfs/dbraw/zinc/50/97/23/816509723.db2.gz ZNEHIJCRKYMELN-UHFFFAOYSA-N 2 1 295.858 2.328 20 0 CEADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001206296529 816531001 /nfs/dbraw/zinc/53/10/01/816531001.db2.gz UBNGPJGLHWQWBN-MRXNPFEDSA-N 3 1 267.461 2.169 20 0 CEADMP [NH3+]C[C@@]1(F)CCCC[N@H+](CC2CCSCC2)C1 ZINC001206337341 816772927 /nfs/dbraw/zinc/77/29/27/816772927.db2.gz UGBCGRPNLJSTEE-ZDUSSCGKSA-N 2 1 260.422 2.283 20 0 CEADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](CC2CCSCC2)C1 ZINC001206337341 816772937 /nfs/dbraw/zinc/77/29/37/816772937.db2.gz UGBCGRPNLJSTEE-ZDUSSCGKSA-N 2 1 260.422 2.283 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001206337139 816773534 /nfs/dbraw/zinc/77/35/34/816773534.db2.gz QNVOAXMHBJQANC-SFHVURJKSA-N 3 1 287.451 2.283 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178698759 816786761 /nfs/dbraw/zinc/78/67/61/816786761.db2.gz SYUDOKDDAVVDOH-AWEZNQCLSA-N 2 1 292.427 2.047 20 0 CEADMP C[C@H]([NH2+]C1CC1)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449083926 282093790 /nfs/dbraw/zinc/09/37/90/282093790.db2.gz DQPFHEWEVVXMCP-ZNMIVQPWSA-N 2 1 295.471 2.001 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000337387203 282098337 /nfs/dbraw/zinc/09/83/37/282098337.db2.gz INVDQGYYHQYTTH-MRXNPFEDSA-N 2 1 279.472 2.182 20 0 CEADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000082569803 178104260 /nfs/dbraw/zinc/10/42/60/178104260.db2.gz CRBRFAHFYNVROH-UHFFFAOYSA-N 2 1 260.381 2.271 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337510079 214130603 /nfs/dbraw/zinc/13/06/03/214130603.db2.gz IGRVOYUFODHYTH-JJXSEGSLSA-N 2 1 266.429 2.408 20 0 CEADMP CN(CC[C@@H]1CCC[N@H+]1C)Cc1ccc2c(c1)OCO2 ZINC000124726863 187150417 /nfs/dbraw/zinc/15/04/17/187150417.db2.gz SWSCLRXCZSZZBM-AWEZNQCLSA-N 2 1 276.380 2.331 20 0 CEADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc2c(c1)OCO2 ZINC000124726863 187150418 /nfs/dbraw/zinc/15/04/18/187150418.db2.gz SWSCLRXCZSZZBM-AWEZNQCLSA-N 2 1 276.380 2.331 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc2c(c1)OCO2 ZINC000124726863 187150419 /nfs/dbraw/zinc/15/04/19/187150419.db2.gz SWSCLRXCZSZZBM-AWEZNQCLSA-N 2 1 276.380 2.331 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc2c(c1)OCO2 ZINC000124726863 187150420 /nfs/dbraw/zinc/15/04/20/187150420.db2.gz SWSCLRXCZSZZBM-AWEZNQCLSA-N 2 1 276.380 2.331 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc2c(c1)OCO2 ZINC000124726863 187150421 /nfs/dbraw/zinc/15/04/21/187150421.db2.gz SWSCLRXCZSZZBM-AWEZNQCLSA-N 2 1 276.380 2.331 20 0 CEADMP CN(CC[C@H]1CCC[N@H+]1C)Cc1ccc2c(c1)OCO2 ZINC000124726622 187150667 /nfs/dbraw/zinc/15/06/67/187150667.db2.gz SWSCLRXCZSZZBM-CQSZACIVSA-N 2 1 276.380 2.331 20 0 CEADMP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc2c(c1)OCO2 ZINC000124726622 187150668 /nfs/dbraw/zinc/15/06/68/187150668.db2.gz SWSCLRXCZSZZBM-CQSZACIVSA-N 2 1 276.380 2.331 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc2c(c1)OCO2 ZINC000124726622 187150669 /nfs/dbraw/zinc/15/06/69/187150669.db2.gz SWSCLRXCZSZZBM-CQSZACIVSA-N 2 1 276.380 2.331 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc2c(c1)OCO2 ZINC000124726622 187150670 /nfs/dbraw/zinc/15/06/70/187150670.db2.gz SWSCLRXCZSZZBM-CQSZACIVSA-N 2 1 276.380 2.331 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc2c(c1)OCO2 ZINC000124726622 187150671 /nfs/dbraw/zinc/15/06/71/187150671.db2.gz SWSCLRXCZSZZBM-CQSZACIVSA-N 2 1 276.380 2.331 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000337528597 214139480 /nfs/dbraw/zinc/13/94/80/214139480.db2.gz BYLTZBAOMZKMLT-VXGBXAGGSA-N 2 1 262.344 2.221 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000035046058 361805487 /nfs/dbraw/zinc/80/54/87/361805487.db2.gz BCIWAWYOSPFSRB-UHFFFAOYSA-N 2 1 270.380 2.056 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000122711257 365631145 /nfs/dbraw/zinc/63/11/45/365631145.db2.gz NSWUBWPSDBTFAC-YQQAZPJKSA-N 3 1 281.488 2.427 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)CC1 ZINC000122711257 365631150 /nfs/dbraw/zinc/63/11/50/365631150.db2.gz NSWUBWPSDBTFAC-YQQAZPJKSA-N 2 1 281.488 2.427 20 0 CEADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCC1 ZINC000449149675 282120448 /nfs/dbraw/zinc/12/04/48/282120448.db2.gz OJBJURGOVDUHRB-HZPDHXFCSA-N 2 1 268.445 2.392 20 0 CEADMP CC[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1)[NH+](C)C ZINC000125190388 365668711 /nfs/dbraw/zinc/66/87/11/365668711.db2.gz HHALLJQRKAAPDU-HUUCEWRRSA-N 2 1 297.487 2.343 20 0 CEADMP c1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC000036303969 361840087 /nfs/dbraw/zinc/84/00/87/361840087.db2.gz YTFHFQRJJKFEEX-UHFFFAOYSA-N 2 1 274.408 2.420 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(NC(C)=O)cc2)C1 ZINC000037643847 361915749 /nfs/dbraw/zinc/91/57/49/361915749.db2.gz RNMGOUVEIIYJPM-OAHLLOKOSA-N 2 1 275.396 2.076 20 0 CEADMP CC[C@H]1C[C@@H](C[NH2+]CCCn2cc[nH+]c2C)CCO1 ZINC000337951448 214329913 /nfs/dbraw/zinc/32/99/13/214329913.db2.gz VKHOZGDGHDDFSA-GJZGRUSLSA-N 2 1 265.401 2.376 20 0 CEADMP CC1CC[NH+](CCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000040771927 361997579 /nfs/dbraw/zinc/99/75/79/361997579.db2.gz OTRQIZTYPARYIU-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000040771927 361997585 /nfs/dbraw/zinc/99/75/85/361997585.db2.gz OTRQIZTYPARYIU-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000040771927 361997587 /nfs/dbraw/zinc/99/75/87/361997587.db2.gz OTRQIZTYPARYIU-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337993709 214349883 /nfs/dbraw/zinc/34/98/83/214349883.db2.gz SPNUMNIBPLJASP-CABCVRRESA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000449245143 282156974 /nfs/dbraw/zinc/15/69/74/282156974.db2.gz YSFKMNAFULBVHZ-GUYCJALGSA-N 2 1 288.391 2.020 20 0 CEADMP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000449245143 282156977 /nfs/dbraw/zinc/15/69/77/282156977.db2.gz YSFKMNAFULBVHZ-GUYCJALGSA-N 2 1 288.391 2.020 20 0 CEADMP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000449245141 282157300 /nfs/dbraw/zinc/15/73/00/282157300.db2.gz YSFKMNAFULBVHZ-CXAGYDPISA-N 2 1 288.391 2.020 20 0 CEADMP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000449245141 282157301 /nfs/dbraw/zinc/15/73/01/282157301.db2.gz YSFKMNAFULBVHZ-CXAGYDPISA-N 2 1 288.391 2.020 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc3c(c1)CCC3)C2 ZINC000621782039 349700907 /nfs/dbraw/zinc/70/09/07/349700907.db2.gz LSQHTYNSUTURBN-SJORKVTESA-N 2 1 256.393 2.489 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc3c(c1)CCC3)C2 ZINC000621782039 349700909 /nfs/dbraw/zinc/70/09/09/349700909.db2.gz LSQHTYNSUTURBN-SJORKVTESA-N 2 1 256.393 2.489 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000305012149 539210940 /nfs/dbraw/zinc/21/09/40/539210940.db2.gz RHBBKCWZHMYKEI-FGTMMUONSA-N 2 1 288.435 2.211 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000305012149 539210941 /nfs/dbraw/zinc/21/09/41/539210941.db2.gz RHBBKCWZHMYKEI-FGTMMUONSA-N 2 1 288.435 2.211 20 0 CEADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000305012149 539210942 /nfs/dbraw/zinc/21/09/42/539210942.db2.gz RHBBKCWZHMYKEI-FGTMMUONSA-N 2 1 288.435 2.211 20 0 CEADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000305012149 539210943 /nfs/dbraw/zinc/21/09/43/539210943.db2.gz RHBBKCWZHMYKEI-FGTMMUONSA-N 2 1 288.435 2.211 20 0 CEADMP CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1CC[NH3+] ZINC000621784240 349702469 /nfs/dbraw/zinc/70/24/69/349702469.db2.gz LUDZZFNYCUMVFJ-UHFFFAOYSA-N 2 1 275.440 2.320 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccn1 ZINC000621776162 349698069 /nfs/dbraw/zinc/69/80/69/349698069.db2.gz DFWAGBYBUKXGRE-JKSUJKDBSA-N 2 1 259.397 2.212 20 0 CEADMP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000449349657 282196766 /nfs/dbraw/zinc/19/67/66/282196766.db2.gz XLHRNKQVTRQPTB-SQWLQELKSA-N 2 1 293.455 2.027 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000567752423 299085960 /nfs/dbraw/zinc/08/59/60/299085960.db2.gz KJKQWWRAGMUSAK-CABCVRRESA-N 3 1 255.450 2.358 20 0 CEADMP CSc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401673737 539254508 /nfs/dbraw/zinc/25/45/08/539254508.db2.gz NAJXAFWYEUAVAR-UHFFFAOYSA-N 2 1 261.394 2.474 20 0 CEADMP CCC[C@@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)[NH+](C)C ZINC000351051814 219075918 /nfs/dbraw/zinc/07/59/18/219075918.db2.gz HNKLUXKOUYTDQQ-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1cnccc1CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000567771555 299090002 /nfs/dbraw/zinc/09/00/02/299090002.db2.gz INSBXHZTFOKNRJ-UHFFFAOYSA-N 2 1 261.413 2.350 20 0 CEADMP Cc1cnccc1CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000567771555 299090006 /nfs/dbraw/zinc/09/00/06/299090006.db2.gz INSBXHZTFOKNRJ-UHFFFAOYSA-N 2 1 261.413 2.350 20 0 CEADMP C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402296 362144230 /nfs/dbraw/zinc/14/42/30/362144230.db2.gz BDJCBMAHMURHGK-WDEREUQCSA-N 2 1 266.389 2.274 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CO)CC1 ZINC000675925639 539308199 /nfs/dbraw/zinc/30/81/99/539308199.db2.gz KWPIDRNGNYYROL-DOTOQJQBSA-N 2 1 288.435 2.259 20 0 CEADMP C[C@H](CC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000227717402 539314336 /nfs/dbraw/zinc/31/43/36/539314336.db2.gz WMXFYFRTQWSEDW-YCPHGPKFSA-N 2 1 262.397 2.228 20 0 CEADMP C[C@H](CC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000227717402 539314338 /nfs/dbraw/zinc/31/43/38/539314338.db2.gz WMXFYFRTQWSEDW-YCPHGPKFSA-N 2 1 262.397 2.228 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000044530252 343473989 /nfs/dbraw/zinc/47/39/89/343473989.db2.gz OIKIZKWBNQLHNO-CYBMUJFWSA-N 2 1 266.360 2.265 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000328408025 539347814 /nfs/dbraw/zinc/34/78/14/539347814.db2.gz UHZAGFHDIZJZEY-XHSDSOJGSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000328408025 539347821 /nfs/dbraw/zinc/34/78/21/539347821.db2.gz UHZAGFHDIZJZEY-XHSDSOJGSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000328408025 539347826 /nfs/dbraw/zinc/34/78/26/539347826.db2.gz UHZAGFHDIZJZEY-XHSDSOJGSA-N 2 1 268.445 2.342 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(F)c1 ZINC000228622987 539350733 /nfs/dbraw/zinc/35/07/33/539350733.db2.gz NRTGXYQDTDEUGI-YPMHNXCESA-N 2 1 266.360 2.251 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(F)c1 ZINC000228622987 539350736 /nfs/dbraw/zinc/35/07/36/539350736.db2.gz NRTGXYQDTDEUGI-YPMHNXCESA-N 2 1 266.360 2.251 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(F)c1 ZINC000228622999 539350821 /nfs/dbraw/zinc/35/08/21/539350821.db2.gz NRTGXYQDTDEUGI-AAEUAGOBSA-N 2 1 266.360 2.251 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(F)c1 ZINC000228622999 539350828 /nfs/dbraw/zinc/35/08/28/539350828.db2.gz NRTGXYQDTDEUGI-AAEUAGOBSA-N 2 1 266.360 2.251 20 0 CEADMP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000622484376 349860807 /nfs/dbraw/zinc/86/08/07/349860807.db2.gz HVYFGFVACNUTKG-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccncc2)C[C@@H]1C ZINC000351518188 219112137 /nfs/dbraw/zinc/11/21/37/219112137.db2.gz LRTWZRWLZXQLFX-HOCLYGCPSA-N 2 1 261.413 2.429 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccncc2)C[C@@H]1C ZINC000351518188 219112138 /nfs/dbraw/zinc/11/21/38/219112138.db2.gz LRTWZRWLZXQLFX-HOCLYGCPSA-N 2 1 261.413 2.429 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccncc2)C[C@@H]1C ZINC000351518188 219112141 /nfs/dbraw/zinc/11/21/41/219112141.db2.gz LRTWZRWLZXQLFX-HOCLYGCPSA-N 2 1 261.413 2.429 20 0 CEADMP C[N@H+](CCC[NH+]1CCCCC1)CCOCC1CC1 ZINC000161514557 529887170 /nfs/dbraw/zinc/88/71/70/529887170.db2.gz YXTCWCPCOHIAHO-UHFFFAOYSA-N 2 1 254.418 2.221 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)CCOCC1CC1 ZINC000161514557 529887171 /nfs/dbraw/zinc/88/71/71/529887171.db2.gz YXTCWCPCOHIAHO-UHFFFAOYSA-N 2 1 254.418 2.221 20 0 CEADMP C[NH2+]Cc1ccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000449624117 282306996 /nfs/dbraw/zinc/30/69/96/282306996.db2.gz MCVNKBMESIXXOX-BETUJISGSA-N 2 1 275.396 2.217 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCOCC)CC1 ZINC000076776559 343898106 /nfs/dbraw/zinc/89/81/06/343898106.db2.gz FZVQEIOROUWVBE-UHFFFAOYSA-N 2 1 256.434 2.467 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000077281031 343915184 /nfs/dbraw/zinc/91/51/84/343915184.db2.gz QITYMWIGIIQGAP-UHFFFAOYSA-N 2 1 278.444 2.015 20 0 CEADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccon2)CC1 ZINC000077281024 343915197 /nfs/dbraw/zinc/91/51/97/343915197.db2.gz ZMWIVPMJWHWZKH-UHFFFAOYSA-N 2 1 251.374 2.227 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccon2)CC1 ZINC000077281024 343915199 /nfs/dbraw/zinc/91/51/99/343915199.db2.gz ZMWIVPMJWHWZKH-UHFFFAOYSA-N 2 1 251.374 2.227 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC(C)C)[C@H](C)C1 ZINC000336783578 365800418 /nfs/dbraw/zinc/80/04/18/365800418.db2.gz BTYHGLJCSQTCLL-CABCVRRESA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC(C)C)[C@H](C)C1 ZINC000336783578 365800422 /nfs/dbraw/zinc/80/04/22/365800422.db2.gz BTYHGLJCSQTCLL-CABCVRRESA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC(C)C)[C@H](C)C1 ZINC000336783578 365800428 /nfs/dbraw/zinc/80/04/28/365800428.db2.gz BTYHGLJCSQTCLL-CABCVRRESA-N 2 1 256.434 2.321 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000351574607 219131317 /nfs/dbraw/zinc/13/13/17/219131317.db2.gz PMVDTMHEBXNOMG-YOEHRIQHSA-N 2 1 290.451 2.397 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000351574607 219131320 /nfs/dbraw/zinc/13/13/20/219131320.db2.gz PMVDTMHEBXNOMG-YOEHRIQHSA-N 2 1 290.451 2.397 20 0 CEADMP COc1cccc(OCCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000090060422 344135296 /nfs/dbraw/zinc/13/52/96/344135296.db2.gz PGGAWPHUJCQUML-PBHICJAKSA-N 2 1 292.423 2.394 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCC1CC1 ZINC000090119059 344137216 /nfs/dbraw/zinc/13/72/16/344137216.db2.gz JELMHNGXSWOTNS-KBMXLJTQSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1cnccc1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000090847342 344144308 /nfs/dbraw/zinc/14/43/08/344144308.db2.gz WUPKLEQBQXTZNP-OFQRWUPVSA-N 2 1 261.413 2.251 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccccc1F ZINC000124509845 344314970 /nfs/dbraw/zinc/31/49/70/344314970.db2.gz IZNXBYXIGXUCHG-RYUDHWBXSA-N 2 1 252.333 2.016 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccccc1F ZINC000124509845 344314973 /nfs/dbraw/zinc/31/49/73/344314973.db2.gz IZNXBYXIGXUCHG-RYUDHWBXSA-N 2 1 252.333 2.016 20 0 CEADMP CC1CCC(O)(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000227913381 344557699 /nfs/dbraw/zinc/55/76/99/344557699.db2.gz ZLVWNKCMDVKCPV-PYBGIAKNSA-N 2 1 266.429 2.144 20 0 CEADMP CC1CCC(O)(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000227913381 344557704 /nfs/dbraw/zinc/55/77/04/344557704.db2.gz ZLVWNKCMDVKCPV-PYBGIAKNSA-N 2 1 266.429 2.144 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000051627823 362432849 /nfs/dbraw/zinc/43/28/49/362432849.db2.gz FGMYATMKKUZRAK-HZPDHXFCSA-N 2 1 262.397 2.184 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000414847596 529998635 /nfs/dbraw/zinc/99/86/35/529998635.db2.gz WBCUJGVDACFCRR-YQQAZPJKSA-N 3 1 281.488 2.475 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000234709529 344586988 /nfs/dbraw/zinc/58/69/88/344586988.db2.gz VGTLDGRNFCMQJG-GOEBONIOSA-N 2 1 262.397 2.306 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000234709529 344586990 /nfs/dbraw/zinc/58/69/90/344586990.db2.gz VGTLDGRNFCMQJG-GOEBONIOSA-N 2 1 262.397 2.306 20 0 CEADMP CO[C@@H]1CC[N@H+](CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000336784523 365801720 /nfs/dbraw/zinc/80/17/20/365801720.db2.gz QXECREKNTRFGPZ-GXTWGEPZSA-N 2 1 251.374 2.081 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000336784523 365801724 /nfs/dbraw/zinc/80/17/24/365801724.db2.gz QXECREKNTRFGPZ-GXTWGEPZSA-N 2 1 251.374 2.081 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000052209582 362469396 /nfs/dbraw/zinc/46/93/96/362469396.db2.gz ANNXCQAQKLHODK-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc2ccccn12 ZINC000237394548 344600898 /nfs/dbraw/zinc/60/08/98/344600898.db2.gz XMTBSBAAMRJQLM-ZDUSSCGKSA-N 2 1 283.379 2.265 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cccc(C(=O)OC)c2)CC[C@H]1[NH3+] ZINC000251727407 344637369 /nfs/dbraw/zinc/63/73/69/344637369.db2.gz KGDXLKNYMLVEQZ-DZGCQCFKSA-N 2 1 276.380 2.032 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc(C(=O)OC)c2)CC[C@H]1[NH3+] ZINC000251727407 344637371 /nfs/dbraw/zinc/63/73/71/344637371.db2.gz KGDXLKNYMLVEQZ-DZGCQCFKSA-N 2 1 276.380 2.032 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)[nH]1 ZINC000602518070 347064766 /nfs/dbraw/zinc/06/47/66/347064766.db2.gz MVZUGDPFOMNPOT-CYBMUJFWSA-N 2 1 293.411 2.013 20 0 CEADMP CCc1nc2ccccc2n1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000312663264 344739926 /nfs/dbraw/zinc/73/99/26/344739926.db2.gz ASEGYQBQMGMYED-ZDUSSCGKSA-N 2 1 275.396 2.300 20 0 CEADMP C[NH+]1CCC([NH2+][C@H](CO)CC2CCCCC2)CC1 ZINC000417357916 530050521 /nfs/dbraw/zinc/05/05/21/530050521.db2.gz DXUUEXGDEHWDBJ-HNNXBMFYSA-N 2 1 254.418 2.002 20 0 CEADMP CO[C@]1(C)CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668089976 539411304 /nfs/dbraw/zinc/41/13/04/539411304.db2.gz COWCNCGHFGXNPL-MRXNPFEDSA-N 2 1 286.379 2.268 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(=O)NC ZINC000449774394 282362535 /nfs/dbraw/zinc/36/25/35/282362535.db2.gz LQYBGUIYMKIURM-VNQPRFMTSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000336784271 365802706 /nfs/dbraw/zinc/80/27/06/365802706.db2.gz NWRJCYMGNFXSLG-HIFRSBDPSA-N 2 1 254.418 2.359 20 0 CEADMP CCC[NH+]1CCC(NCC[N@H+]2CCCC2(C)C)CC1 ZINC000449782557 282365683 /nfs/dbraw/zinc/36/56/83/282365683.db2.gz KXDGNROKKXYEMN-UHFFFAOYSA-N 2 1 267.461 2.325 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000401762447 344869697 /nfs/dbraw/zinc/86/96/97/344869697.db2.gz DAIOGVADGRXBMH-UHFFFAOYSA-N 2 1 281.363 2.143 20 0 CEADMP Cc1[nH+]ccn1CCCN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000580295365 344952768 /nfs/dbraw/zinc/95/27/68/344952768.db2.gz QTLMGXXNIDOKSI-HZPDHXFCSA-N 2 1 276.428 2.188 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1CCc2ccccc2C1(C)C ZINC000584662594 344974733 /nfs/dbraw/zinc/97/47/33/344974733.db2.gz DIRUGIBKEZIKHG-OAHLLOKOSA-N 2 1 276.424 2.092 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+]1CCc2ccccc2C1(C)C ZINC000584662594 344974737 /nfs/dbraw/zinc/97/47/37/344974737.db2.gz DIRUGIBKEZIKHG-OAHLLOKOSA-N 2 1 276.424 2.092 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+]1CCc2ccccc2C1(C)C ZINC000584662594 344974740 /nfs/dbraw/zinc/97/47/40/344974740.db2.gz DIRUGIBKEZIKHG-OAHLLOKOSA-N 2 1 276.424 2.092 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCc2ccccc2C1(C)C ZINC000584662594 344974743 /nfs/dbraw/zinc/97/47/43/344974743.db2.gz DIRUGIBKEZIKHG-OAHLLOKOSA-N 2 1 276.424 2.092 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCc2ccccc2C1(C)C ZINC000584662594 344974744 /nfs/dbraw/zinc/97/47/44/344974744.db2.gz DIRUGIBKEZIKHG-OAHLLOKOSA-N 2 1 276.424 2.092 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCc2ccccc2C1(C)C ZINC000584662594 344974747 /nfs/dbraw/zinc/97/47/47/344974747.db2.gz DIRUGIBKEZIKHG-OAHLLOKOSA-N 2 1 276.424 2.092 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCc2ccccc2C1(C)C ZINC000584662594 344974749 /nfs/dbraw/zinc/97/47/49/344974749.db2.gz DIRUGIBKEZIKHG-OAHLLOKOSA-N 2 1 276.424 2.092 20 0 CEADMP CSC1(C[NH2+][C@@H](C)c2cn[nH]c2C)CC[NH+](C)CC1 ZINC000589349497 345079147 /nfs/dbraw/zinc/07/91/47/345079147.db2.gz GEDPPPWCVBEOGC-NSHDSACASA-N 2 1 282.457 2.196 20 0 CEADMP c1ccc2c(c1)n[nH]c2C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000589641818 345091610 /nfs/dbraw/zinc/09/16/10/345091610.db2.gz SCFZWAIDTKERAB-STQMWFEESA-N 2 1 270.380 2.279 20 0 CEADMP c1ccc2c(c1)n[nH]c2C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000589641818 345091612 /nfs/dbraw/zinc/09/16/12/345091612.db2.gz SCFZWAIDTKERAB-STQMWFEESA-N 2 1 270.380 2.279 20 0 CEADMP COC(=O)c1ccoc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522828 362561136 /nfs/dbraw/zinc/56/11/36/362561136.db2.gz WHXLDYSIIHKPBW-UHFFFAOYSA-N 2 1 294.395 2.230 20 0 CEADMP c1n[nH]cc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000590798744 345181952 /nfs/dbraw/zinc/18/19/52/345181952.db2.gz XGMUHJWCDUJAGD-INIZCTEOSA-N 2 1 284.407 2.064 20 0 CEADMP c1n[nH]cc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000590798744 345181955 /nfs/dbraw/zinc/18/19/55/345181955.db2.gz XGMUHJWCDUJAGD-INIZCTEOSA-N 2 1 284.407 2.064 20 0 CEADMP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591866711 345289946 /nfs/dbraw/zinc/28/99/46/345289946.db2.gz DKXYCIUSTDGCDN-CABCVRRESA-N 2 1 292.427 2.071 20 0 CEADMP CC(C)CCNC(=O)[C@@H](C)N1CCC[C@H](n2ccnc2)C1 ZINC000591866711 345289948 /nfs/dbraw/zinc/28/99/48/345289948.db2.gz DKXYCIUSTDGCDN-CABCVRRESA-N 2 1 292.427 2.071 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229333468 539464223 /nfs/dbraw/zinc/46/42/23/539464223.db2.gz FTSYXOPBUYKTPD-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000229370536 539465662 /nfs/dbraw/zinc/46/56/62/539465662.db2.gz MVTJNYKDUGROHB-MCIONIFRSA-N 2 1 252.402 2.290 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])o1 ZINC000593314236 345465619 /nfs/dbraw/zinc/46/56/19/345465619.db2.gz BPKZXKNSOMZKTH-JSGCOSHPSA-N 2 1 294.395 2.406 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])o1 ZINC000593314236 345465621 /nfs/dbraw/zinc/46/56/21/345465621.db2.gz BPKZXKNSOMZKTH-JSGCOSHPSA-N 2 1 294.395 2.406 20 0 CEADMP COC(=O)[C@H](c1ccccc1C)[NH+]1CCC(CC[NH3+])CC1 ZINC000593731044 345528607 /nfs/dbraw/zinc/52/86/07/345528607.db2.gz SZLREGCXDZDPFJ-INIZCTEOSA-N 2 1 290.407 2.270 20 0 CEADMP CC(C)OC(=O)C[C@H]([NH2+]CCCc1c[nH+]cn1C)C(C)C ZINC000594043919 345572285 /nfs/dbraw/zinc/57/22/85/345572285.db2.gz MQSIMOLYXSFGCG-HNNXBMFYSA-N 2 1 295.427 2.309 20 0 CEADMP CSC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000594502143 345639269 /nfs/dbraw/zinc/63/92/69/345639269.db2.gz XUOKCVQXCJEJAK-AWEZNQCLSA-N 2 1 284.469 2.115 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000128821906 365805621 /nfs/dbraw/zinc/80/56/21/365805621.db2.gz ORUBEDOGAARMEO-HNNXBMFYSA-N 2 1 293.411 2.388 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000128821906 365805626 /nfs/dbraw/zinc/80/56/26/365805626.db2.gz ORUBEDOGAARMEO-HNNXBMFYSA-N 2 1 293.411 2.388 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000594915731 345700637 /nfs/dbraw/zinc/70/06/37/345700637.db2.gz BSHQQVXNEMROKX-BFHYXJOUSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000594927196 345704855 /nfs/dbraw/zinc/70/48/55/345704855.db2.gz ZDPYBIQWWAHRHR-ZJIFWQFVSA-N 2 1 296.455 2.286 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000594925650 345705107 /nfs/dbraw/zinc/70/51/07/345705107.db2.gz LZGXQTSRDTZIEJ-LXTVHRRPSA-N 2 1 296.455 2.284 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000594925650 345705109 /nfs/dbraw/zinc/70/51/09/345705109.db2.gz LZGXQTSRDTZIEJ-LXTVHRRPSA-N 2 1 296.455 2.284 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(C)(C)CC(=O)OC)C1 ZINC000595017053 345727393 /nfs/dbraw/zinc/72/73/93/345727393.db2.gz YTWBFDWGUSBEDS-KGLIPLIRSA-N 2 1 284.444 2.286 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC000595314171 345760878 /nfs/dbraw/zinc/76/08/78/345760878.db2.gz RDBNWBZEQLGKKP-KRWDZBQOSA-N 2 1 279.472 2.279 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000599045589 346451931 /nfs/dbraw/zinc/45/19/31/346451931.db2.gz IKTPVOOTTRJORF-RDBSUJKOSA-N 2 1 282.428 2.181 20 0 CEADMP CC(C)C[NH+](CC(C)C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336793483 365815411 /nfs/dbraw/zinc/81/54/11/365815411.db2.gz WWUSBSSPDWQYFB-OAHLLOKOSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)C[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336793483 365815420 /nfs/dbraw/zinc/81/54/20/365815420.db2.gz WWUSBSSPDWQYFB-OAHLLOKOSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@H](O)C[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336790865 365811982 /nfs/dbraw/zinc/81/19/82/365811982.db2.gz YMWUZRAYUHEFOM-SOUVJXGZSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](O)C[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000336790865 365811988 /nfs/dbraw/zinc/81/19/88/365811988.db2.gz YMWUZRAYUHEFOM-SOUVJXGZSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](O)C[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000336790865 365811992 /nfs/dbraw/zinc/81/19/92/365811992.db2.gz YMWUZRAYUHEFOM-SOUVJXGZSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000063195129 362758809 /nfs/dbraw/zinc/75/88/09/362758809.db2.gz WDASHKKTKOEZOD-DZGCQCFKSA-N 2 1 275.396 2.217 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000063195129 362758814 /nfs/dbraw/zinc/75/88/14/362758814.db2.gz WDASHKKTKOEZOD-DZGCQCFKSA-N 2 1 275.396 2.217 20 0 CEADMP CC[NH+](CC)CCC[NH+]1[C@@H](C)CC(C(=O)OC)C[C@@H]1C ZINC000599698057 346571427 /nfs/dbraw/zinc/57/14/27/346571427.db2.gz UQABGJKNPIZTBB-KBPBESRZSA-N 2 1 284.444 2.380 20 0 CEADMP Cc1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000129167701 365832678 /nfs/dbraw/zinc/83/26/78/365832678.db2.gz QJEYPZSJMKBPAO-KZNAEPCWSA-N 2 1 288.435 2.445 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC000600980965 346725457 /nfs/dbraw/zinc/72/54/57/346725457.db2.gz QRDAXRHSUOLCCL-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000600980965 346725459 /nfs/dbraw/zinc/72/54/59/346725459.db2.gz QRDAXRHSUOLCCL-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000600980965 346725462 /nfs/dbraw/zinc/72/54/62/346725462.db2.gz QRDAXRHSUOLCCL-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000600980965 346725464 /nfs/dbraw/zinc/72/54/64/346725464.db2.gz QRDAXRHSUOLCCL-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000600980965 346725467 /nfs/dbraw/zinc/72/54/67/346725467.db2.gz QRDAXRHSUOLCCL-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]CCSCc1ccccc1 ZINC000600774554 346688049 /nfs/dbraw/zinc/68/80/49/346688049.db2.gz RPCOREDFFCXDNT-GXTWGEPZSA-N 2 1 250.411 2.260 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)[nH]1 ZINC000602658414 347127547 /nfs/dbraw/zinc/12/75/47/347127547.db2.gz WRAQUZJYAGWWGK-ZDUSSCGKSA-N 2 1 293.411 2.011 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)[nH]1 ZINC000602658414 347127550 /nfs/dbraw/zinc/12/75/50/347127550.db2.gz WRAQUZJYAGWWGK-ZDUSSCGKSA-N 2 1 293.411 2.011 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000602721738 347170498 /nfs/dbraw/zinc/17/04/98/347170498.db2.gz KHHIYHGJUVTSFV-KNCOVGOOSA-N 2 1 282.428 2.181 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602721738 347170500 /nfs/dbraw/zinc/17/05/00/347170500.db2.gz KHHIYHGJUVTSFV-KNCOVGOOSA-N 2 1 282.428 2.181 20 0 CEADMP CC[NH+](CC)CC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064735966 362793696 /nfs/dbraw/zinc/79/36/96/362793696.db2.gz ONPUFQAMIHMCOW-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000351850158 219225022 /nfs/dbraw/zinc/22/50/22/219225022.db2.gz HZPSSRGHSAOIPS-NEPJUHHUSA-N 2 1 295.814 2.338 20 0 CEADMP c1[nH]nc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc12 ZINC000129904322 365905273 /nfs/dbraw/zinc/90/52/73/365905273.db2.gz PTUDBCCUYLZTCQ-OAHLLOKOSA-N 2 1 284.407 2.481 20 0 CEADMP c1[nH]nc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)ccc12 ZINC000129904322 365905280 /nfs/dbraw/zinc/90/52/80/365905280.db2.gz PTUDBCCUYLZTCQ-OAHLLOKOSA-N 2 1 284.407 2.481 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000336838009 365907692 /nfs/dbraw/zinc/90/76/92/365907692.db2.gz MKDWRTOFRPNSMF-NDBYEHHHSA-N 2 1 292.345 2.313 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000336838009 365907694 /nfs/dbraw/zinc/90/76/94/365907694.db2.gz MKDWRTOFRPNSMF-NDBYEHHHSA-N 2 1 292.345 2.313 20 0 CEADMP FC(F)Cn1cc(C[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000336838907 365909809 /nfs/dbraw/zinc/90/98/09/365909809.db2.gz NTTNUNUEBSTURQ-UHFFFAOYSA-N 2 1 286.370 2.114 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351865651 219229284 /nfs/dbraw/zinc/22/92/84/219229284.db2.gz ODILZYIFAZCPLL-ZIAGYGMSSA-N 2 1 278.396 2.133 20 0 CEADMP COC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000130099538 365923736 /nfs/dbraw/zinc/92/37/36/365923736.db2.gz DXZWCWYDIKDORZ-PIOWNMBXSA-N 2 1 252.402 2.160 20 0 CEADMP c1cnn(-c2cccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2)c1 ZINC000334428173 539592405 /nfs/dbraw/zinc/59/24/05/539592405.db2.gz HVFXJDRHSWAIIS-SFHVURJKSA-N 2 1 296.418 2.448 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccn2ccnc2c1 ZINC000614275688 348172085 /nfs/dbraw/zinc/17/20/85/348172085.db2.gz MNQKGAXXEHJRHO-CYBMUJFWSA-N 2 1 272.352 2.147 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000066139318 362852214 /nfs/dbraw/zinc/85/22/14/362852214.db2.gz LKTKUCVSDSHTGX-AWEZNQCLSA-N 2 1 291.439 2.208 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)CC3CCCC3)C2)C1 ZINC000339441875 215174764 /nfs/dbraw/zinc/17/47/64/215174764.db2.gz RYELPARXKLLVOK-SJORKVTESA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)CC3CCCC3)C2)C1 ZINC000339441875 215174767 /nfs/dbraw/zinc/17/47/67/215174767.db2.gz RYELPARXKLLVOK-SJORKVTESA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)CC3CCCC3)C2)C1 ZINC000339441875 215174769 /nfs/dbraw/zinc/17/47/69/215174769.db2.gz RYELPARXKLLVOK-SJORKVTESA-N 2 1 280.456 2.345 20 0 CEADMP C[C@]1(c2ccccc2)CCC[N@@H+](CCOCC[NH3+])C1 ZINC000357066845 233002091 /nfs/dbraw/zinc/00/20/91/233002091.db2.gz CSZOHYLTWCWFSD-INIZCTEOSA-N 2 1 262.397 2.015 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOCC(F)(F)F)CC1(C)C ZINC000623345804 349994286 /nfs/dbraw/zinc/99/42/86/349994286.db2.gz UQZFXNGJZWWPKW-JTQLQIEISA-N 2 1 268.323 2.028 20 0 CEADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000623352620 349995533 /nfs/dbraw/zinc/99/55/33/349995533.db2.gz IJQGTBSFJRARDE-LBPRGKRZSA-N 2 1 267.442 2.456 20 0 CEADMP CC(C)C[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000623353232 349996118 /nfs/dbraw/zinc/99/61/18/349996118.db2.gz FJJFABZYLCMPTF-GJZGRUSLSA-N 2 1 269.477 2.425 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOCC(F)(F)F)CC1(C)C ZINC000623355614 349996680 /nfs/dbraw/zinc/99/66/80/349996680.db2.gz PNBJJWSFVGBQAG-NSHDSACASA-N 2 1 282.350 2.418 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000616994039 348602650 /nfs/dbraw/zinc/60/26/50/348602650.db2.gz TWIDPQZYOLYVMO-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616994039 348602652 /nfs/dbraw/zinc/60/26/52/348602652.db2.gz TWIDPQZYOLYVMO-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616994039 348602654 /nfs/dbraw/zinc/60/26/54/348602654.db2.gz TWIDPQZYOLYVMO-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+](CC)CC ZINC000617349342 348686546 /nfs/dbraw/zinc/68/65/46/348686546.db2.gz MWORZUTYWQAYPN-UONOGXRCSA-N 2 1 283.460 2.096 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)NC2CCCCC2)CC1(C)C ZINC000623370199 350002011 /nfs/dbraw/zinc/00/20/11/350002011.db2.gz ALGJQEJLZIBDKC-OAHLLOKOSA-N 2 1 295.471 2.288 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000619894984 349245541 /nfs/dbraw/zinc/24/55/41/349245541.db2.gz RFAABYVHOJQRFE-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CCC3)CC2)CC1(C)C ZINC000623381430 350005002 /nfs/dbraw/zinc/00/50/02/350005002.db2.gz SVCGCBASNVKXGA-HNNXBMFYSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623403226 350010995 /nfs/dbraw/zinc/01/09/95/350010995.db2.gz NITYMZUZVRYMKG-OAHLLOKOSA-N 3 1 267.461 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CC1(C)C ZINC000623403226 350010998 /nfs/dbraw/zinc/01/09/98/350010998.db2.gz NITYMZUZVRYMKG-OAHLLOKOSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623487896 350032080 /nfs/dbraw/zinc/03/20/80/350032080.db2.gz YTDOPNDBOGOQMV-CQSZACIVSA-N 3 1 267.461 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CC1(C)C ZINC000623487896 350032083 /nfs/dbraw/zinc/03/20/83/350032083.db2.gz YTDOPNDBOGOQMV-CQSZACIVSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)CC1(C)C ZINC000623487623 350032172 /nfs/dbraw/zinc/03/21/72/350032172.db2.gz KMNTVYGEFPRWLD-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)CC1(C)C ZINC000623421746 350015606 /nfs/dbraw/zinc/01/56/06/350015606.db2.gz YQRVFBNWIHPEAI-HZPDHXFCSA-N 2 1 276.424 2.052 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCC[C@@H]2O)CC1(C)C ZINC000623439348 350020830 /nfs/dbraw/zinc/02/08/30/350020830.db2.gz GBKGDCXTRDKRLZ-DZKIICNBSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000623479190 350030528 /nfs/dbraw/zinc/03/05/28/350030528.db2.gz KBVXSQMYSYVVOA-XJFOESAGSA-N 2 1 254.418 2.405 20 0 CEADMP Cc1nc(CNC[C@@H]2CCCC[N@H+](C)C2)cs1 ZINC000623655640 350075089 /nfs/dbraw/zinc/07/50/89/350075089.db2.gz AWTBUDUVAIYGIL-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP Cc1ccccc1C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623503816 350036278 /nfs/dbraw/zinc/03/62/78/350036278.db2.gz PHVBWYKAVREPHF-SJORKVTESA-N 2 1 290.451 2.361 20 0 CEADMP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623504340 350036554 /nfs/dbraw/zinc/03/65/54/350036554.db2.gz KGPREZIEUOYGSC-DLBZAZTESA-N 2 1 290.451 2.361 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCC[C@@H]2CCOC2)CC1(C)C ZINC000623542283 350046021 /nfs/dbraw/zinc/04/60/21/350046021.db2.gz UPNQVTYPLBPLOM-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000623748661 350100366 /nfs/dbraw/zinc/10/03/66/350100366.db2.gz BRJDYYYCEGYKDY-LEUOFYLZSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000623748661 350100369 /nfs/dbraw/zinc/10/03/69/350100369.db2.gz BRJDYYYCEGYKDY-LEUOFYLZSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623724724 350093144 /nfs/dbraw/zinc/09/31/44/350093144.db2.gz STFIGCMZKXFQPO-PDWCTOEPSA-N 2 1 254.418 2.261 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@H]2CC[NH+]2C2CCCC2)CC1(C)C ZINC000623729286 350095064 /nfs/dbraw/zinc/09/50/64/350095064.db2.gz XGFAJYNYMFHSGQ-GOEBONIOSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@H]2CC[N@@H+]2C2CCCC2)CC1(C)C ZINC000623729286 350095067 /nfs/dbraw/zinc/09/50/67/350095067.db2.gz XGFAJYNYMFHSGQ-GOEBONIOSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@H]2CC[N@H+]2C2CCCC2)CC1(C)C ZINC000623729286 350095068 /nfs/dbraw/zinc/09/50/68/350095068.db2.gz XGFAJYNYMFHSGQ-GOEBONIOSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)CC[N@H+]1C ZINC000090721387 180031873 /nfs/dbraw/zinc/03/18/73/180031873.db2.gz YERPTKRQGHUKFM-HOCLYGCPSA-N 2 1 284.407 2.445 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000090891606 180054110 /nfs/dbraw/zinc/05/41/10/180054110.db2.gz IBXPSRDJNLMIPN-GFOFROLCSA-N 2 1 294.414 2.352 20 0 CEADMP COCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000090720317 180030576 /nfs/dbraw/zinc/03/05/76/180030576.db2.gz DWELDIRVERAANM-CZUORRHYSA-N 2 1 262.397 2.405 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CCCCO1 ZINC000623889829 350135197 /nfs/dbraw/zinc/13/51/97/350135197.db2.gz XKZSGEAFCJWRIC-HZPDHXFCSA-N 2 1 296.455 2.179 20 0 CEADMP CC(C)c1cccc([C@@H](C)[NH2+]C[C@H](O)CN(C)C)c1 ZINC000623889080 350135395 /nfs/dbraw/zinc/13/53/95/350135395.db2.gz CFSGWRMYIUEXPI-CJNGLKHVSA-N 2 1 264.413 2.383 20 0 CEADMP CCC[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)OCC ZINC000624051188 350179723 /nfs/dbraw/zinc/17/97/23/350179723.db2.gz VGJCNFSKJVLWKH-DLBZAZTESA-N 2 1 298.471 2.425 20 0 CEADMP C1=CCC(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000624077078 350186183 /nfs/dbraw/zinc/18/61/83/350186183.db2.gz QZIALJNCRLYSMD-INIZCTEOSA-N 2 1 264.413 2.186 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)Nc1cc(CC)[nH+]c(C)n1 ZINC000341136573 539773709 /nfs/dbraw/zinc/77/37/09/539773709.db2.gz ZQEGTEUFHHYYKO-LBPRGKRZSA-N 2 1 264.417 2.302 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)Nc1cc(CC)[nH+]c(C)n1 ZINC000341136573 539773713 /nfs/dbraw/zinc/77/37/13/539773713.db2.gz ZQEGTEUFHHYYKO-LBPRGKRZSA-N 2 1 264.417 2.302 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123382 350200663 /nfs/dbraw/zinc/20/06/63/350200663.db2.gz KYZPGFYAZGSEDI-SJORKVTESA-N 2 1 298.471 2.140 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)CCC1 ZINC000624124166 350201787 /nfs/dbraw/zinc/20/17/87/350201787.db2.gz YUIKQKJLEQDHHA-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)[C@@H]2CCC[C@H]21 ZINC000624223451 350234031 /nfs/dbraw/zinc/23/40/31/350234031.db2.gz UUKKWLKTFIMZQF-GVRJEKJASA-N 2 1 264.413 2.016 20 0 CEADMP C[N@@H+](CCc1ccc2c(c1)CCO2)C1CCC([NH3+])CC1 ZINC000091847024 180270181 /nfs/dbraw/zinc/27/01/81/180270181.db2.gz YREVCJYOFLUWOD-UHFFFAOYSA-N 2 1 274.408 2.366 20 0 CEADMP C[N@@H+](CC(=O)NC1CCCCCC1)C1CCC([NH3+])CC1 ZINC000091847527 180271016 /nfs/dbraw/zinc/27/10/16/180271016.db2.gz CCEYPRZGGXFBLZ-UHFFFAOYSA-N 2 1 281.444 2.027 20 0 CEADMP Cc1cccc(NC(=O)C[N@H+](C)C2CCC([NH3+])CC2)c1C ZINC000091847544 180271186 /nfs/dbraw/zinc/27/11/86/180271186.db2.gz PECMQUHDWQRTSB-UHFFFAOYSA-N 2 1 289.423 2.444 20 0 CEADMP CCO[C@@H](C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1)C1CC1 ZINC000625200676 350427593 /nfs/dbraw/zinc/42/75/93/350427593.db2.gz RTAPUDYNAJMAOO-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000106388578 186112913 /nfs/dbraw/zinc/11/29/13/186112913.db2.gz VUXSZLUJJCALJF-KRWDZBQOSA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000106388578 186112915 /nfs/dbraw/zinc/11/29/15/186112915.db2.gz VUXSZLUJJCALJF-KRWDZBQOSA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000107371359 186172721 /nfs/dbraw/zinc/17/27/21/186172721.db2.gz YKJWCWQFYLEPOI-GOSISDBHSA-N 2 1 287.451 2.207 20 0 CEADMP Cc1ncsc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130514016 365963374 /nfs/dbraw/zinc/96/33/74/365963374.db2.gz ASEMXYSNRBBWFG-TUAOUCFPSA-N 2 1 251.399 2.011 20 0 CEADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[C@H]1O ZINC000626063565 350646024 /nfs/dbraw/zinc/64/60/24/350646024.db2.gz IKAXDEPOPHFTBG-IAGOWNOFSA-N 2 1 276.424 2.484 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000110649542 186309864 /nfs/dbraw/zinc/30/98/64/186309864.db2.gz YVEQCBLMMPFQLE-SNVBAGLBSA-N 2 1 292.408 2.357 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH+](CC)CC)C1 ZINC000110976660 186339510 /nfs/dbraw/zinc/33/95/10/186339510.db2.gz ALYUWSDGENUAIJ-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP COCCCC[N@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337042088 365997688 /nfs/dbraw/zinc/99/76/88/365997688.db2.gz BYHMTAOAMHUIHI-HZPDHXFCSA-N 2 1 262.397 2.087 20 0 CEADMP COCCCC[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000337042087 365997745 /nfs/dbraw/zinc/99/77/45/365997745.db2.gz BYHMTAOAMHUIHI-HOTGVXAUSA-N 2 1 262.397 2.087 20 0 CEADMP Cc1nc2cc(NC(=O)C[N@@H+]3CC[C@H](C)C3)ccc2[nH]1 ZINC000569017943 299174875 /nfs/dbraw/zinc/17/48/75/299174875.db2.gz YMYLVKAWCSNHPU-JTQLQIEISA-N 2 1 272.352 2.152 20 0 CEADMP Cc1nc2ccc(NC(=O)C[N@H+]3CC[C@H](C)C3)cc2[nH]1 ZINC000569017943 299174879 /nfs/dbraw/zinc/17/48/79/299174879.db2.gz YMYLVKAWCSNHPU-JTQLQIEISA-N 2 1 272.352 2.152 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC[C@@H]2O)[C@H](C)C1 ZINC000569066869 299176714 /nfs/dbraw/zinc/17/67/14/299176714.db2.gz ZHKZVJPVSLPYLU-UGUYLWEFSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC[C@@H]2O)[C@H](C)C1 ZINC000569066869 299176718 /nfs/dbraw/zinc/17/67/18/299176718.db2.gz ZHKZVJPVSLPYLU-UGUYLWEFSA-N 2 1 268.445 2.200 20 0 CEADMP [NH3+]CCCOC1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000629511889 351381965 /nfs/dbraw/zinc/38/19/65/351381965.db2.gz BVEJVRWUDVOBHD-UHFFFAOYSA-N 2 1 298.814 2.375 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(F)cc(F)c1 ZINC000629521642 351388047 /nfs/dbraw/zinc/38/80/47/351388047.db2.gz PSTJCMDUJLLENB-SNVBAGLBSA-N 2 1 270.323 2.123 20 0 CEADMP CCC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccn1 ZINC000629525666 351390665 /nfs/dbraw/zinc/39/06/65/351390665.db2.gz YQGGCIJBOZWDHB-ZDUSSCGKSA-N 2 1 263.385 2.020 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1CC1 ZINC000629533263 351395921 /nfs/dbraw/zinc/39/59/21/351395921.db2.gz QGIZDIYHQAWIKJ-HRCADAONSA-N 2 1 266.429 2.123 20 0 CEADMP CC(C)c1nc([C@@H](C)[NH2+]CCOCCC[NH3+])cs1 ZINC000629534795 351398713 /nfs/dbraw/zinc/39/87/13/351398713.db2.gz AWDDQOPWVFWPAP-LLVKDONJSA-N 2 1 271.430 2.283 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)Cc1ccccc1OC ZINC000629391058 351348054 /nfs/dbraw/zinc/34/80/54/351348054.db2.gz TYTXYNVZNJJHFE-AEGPPILISA-N 2 1 262.397 2.356 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC000629397028 351350894 /nfs/dbraw/zinc/35/08/94/351350894.db2.gz WTIMMEBREFOACH-APHBMKBZSA-N 2 1 274.408 2.283 20 0 CEADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629408323 351354550 /nfs/dbraw/zinc/35/45/50/351354550.db2.gz TURUEUWYZRIIAX-SGMGOOAPSA-N 2 1 272.396 2.224 20 0 CEADMP CCO[C@H](C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)C1CC1 ZINC000629542069 351404159 /nfs/dbraw/zinc/40/41/59/351404159.db2.gz XTVQFKYNEAQKEO-RJZRQDKASA-N 2 1 254.418 2.107 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C12CCC2 ZINC000629542910 351404332 /nfs/dbraw/zinc/40/43/32/351404332.db2.gz OWODWXHBEDNLKG-ZOBORPQBSA-N 2 1 252.402 2.064 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCc1noc3ccccc31)C2 ZINC000629594181 351426762 /nfs/dbraw/zinc/42/67/62/351426762.db2.gz LXLACSQMXDEWMA-CALCHBBNSA-N 2 1 285.391 2.302 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCc1noc3ccccc31)C2 ZINC000629594181 351426767 /nfs/dbraw/zinc/42/67/67/351426767.db2.gz LXLACSQMXDEWMA-CALCHBBNSA-N 2 1 285.391 2.302 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(C(F)(F)F)CCCC1)C1CC1 ZINC000629612348 351431218 /nfs/dbraw/zinc/43/12/18/351431218.db2.gz AFLRZPLMHHITPL-LBPRGKRZSA-N 2 1 294.361 2.154 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(C(F)(F)F)CCCC1)C1CC1 ZINC000629612348 351431223 /nfs/dbraw/zinc/43/12/23/351431223.db2.gz AFLRZPLMHHITPL-LBPRGKRZSA-N 2 1 294.361 2.154 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)CC[NH2+]1 ZINC000629652973 351450453 /nfs/dbraw/zinc/45/04/53/351450453.db2.gz CYHRYLSKRRJIRH-DGAVXFQQSA-N 2 1 254.443 2.344 20 0 CEADMP CCSc1cccc(C[N@@H+](C)CCOCC[NH2+]C)c1 ZINC000629653179 351450594 /nfs/dbraw/zinc/45/05/94/351450594.db2.gz HRBCGIRQILFDCT-UHFFFAOYSA-N 2 1 282.453 2.466 20 0 CEADMP CCC[C@@H](C[N@@H+](C)CCOCC[NH3+])c1ccccc1 ZINC000629662908 351456013 /nfs/dbraw/zinc/45/60/13/351456013.db2.gz IDYJHHLQJCYJOM-INIZCTEOSA-N 2 1 264.413 2.477 20 0 CEADMP Cc1cncc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000629547744 351407131 /nfs/dbraw/zinc/40/71/31/351407131.db2.gz LNXSCGXHYHLHLJ-GVDBMIGSSA-N 2 1 289.423 2.251 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000629551419 351410441 /nfs/dbraw/zinc/41/04/41/351410441.db2.gz VFWNNSAXKFWWBO-CYBMUJFWSA-N 2 1 284.350 2.120 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000629567961 351417885 /nfs/dbraw/zinc/41/78/85/351417885.db2.gz QRXXTCRDRIEKHR-UHFFFAOYSA-N 2 1 274.767 2.147 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000629567961 351417890 /nfs/dbraw/zinc/41/78/90/351417890.db2.gz QRXXTCRDRIEKHR-UHFFFAOYSA-N 2 1 274.767 2.147 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@H](C)C1CCCCC1 ZINC000629581045 351421657 /nfs/dbraw/zinc/42/16/57/351421657.db2.gz KNUAQOMZEBZAOL-ZFWWWQNUSA-N 2 1 256.434 2.105 20 0 CEADMP O=c1ccc([C@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)n[nH]1 ZINC000629580456 351421831 /nfs/dbraw/zinc/42/18/31/351421831.db2.gz CKGZDNJALXFWAC-OAHLLOKOSA-N 2 1 290.411 2.099 20 0 CEADMP Cn1c2ccccc2nc1CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585124 351423927 /nfs/dbraw/zinc/42/39/27/351423927.db2.gz KZDLVWNRTABPPW-HDICACEKSA-N 2 1 298.434 2.047 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585124 351423930 /nfs/dbraw/zinc/42/39/30/351423930.db2.gz KZDLVWNRTABPPW-HDICACEKSA-N 2 1 298.434 2.047 20 0 CEADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000629589833 351424884 /nfs/dbraw/zinc/42/48/84/351424884.db2.gz ARMAXYKBBSTICL-SJLPKXTDSA-N 2 1 290.451 2.443 20 0 CEADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000629589833 351424889 /nfs/dbraw/zinc/42/48/89/351424889.db2.gz ARMAXYKBBSTICL-SJLPKXTDSA-N 2 1 290.451 2.443 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCOc1ccc(F)cc1 ZINC000070149981 363038017 /nfs/dbraw/zinc/03/80/17/363038017.db2.gz GPQDOWFGDZNTGB-CQSZACIVSA-N 2 1 266.360 2.408 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070171029 363045054 /nfs/dbraw/zinc/04/50/54/363045054.db2.gz HXQJFQHDYDIKOY-LBPRGKRZSA-N 2 1 253.415 2.055 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000630022478 351588420 /nfs/dbraw/zinc/58/84/20/351588420.db2.gz HWXUHSDOXRGSIE-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000630022478 351588427 /nfs/dbraw/zinc/58/84/27/351588427.db2.gz HWXUHSDOXRGSIE-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000630022478 351588432 /nfs/dbraw/zinc/58/84/32/351588432.db2.gz HWXUHSDOXRGSIE-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCCC(C)(C)C ZINC000337177946 366056752 /nfs/dbraw/zinc/05/67/52/366056752.db2.gz KASIXFRONOLRQQ-UHFFFAOYSA-N 2 1 269.477 2.382 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)ncn3C)CC[N@H+]1C ZINC000336497154 213370215 /nfs/dbraw/zinc/37/02/15/213370215.db2.gz HLCJOZXQUHEFTC-OCCSQVGLSA-N 2 1 272.396 2.146 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000131604758 366070344 /nfs/dbraw/zinc/07/03/44/366070344.db2.gz PPPCUODNDJRWQG-NWDGAFQWSA-N 2 1 295.814 2.338 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1Cl ZINC000122473328 187034006 /nfs/dbraw/zinc/03/40/06/187034006.db2.gz JPUVOVSNBAFUFK-UHFFFAOYSA-N 2 1 295.858 2.409 20 0 CEADMP CCOC(C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)OCC ZINC000124198236 187125978 /nfs/dbraw/zinc/12/59/78/187125978.db2.gz RDBVIRYLFRNDBD-UHFFFAOYSA-N 2 1 295.427 2.074 20 0 CEADMP CC(C)[C@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000124277285 187129812 /nfs/dbraw/zinc/12/98/12/187129812.db2.gz YAHNDFXPXCHDCL-JKSUJKDBSA-N 2 1 297.487 2.201 20 0 CEADMP Cc1ccc(NC(=O)CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123558812 187098396 /nfs/dbraw/zinc/09/83/96/187098396.db2.gz FVIPKWAPDFBAJH-ZBFHGGJFSA-N 2 1 289.423 2.348 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000631040453 351934207 /nfs/dbraw/zinc/93/42/07/351934207.db2.gz QFWDDVGIMXQREF-UHFFFAOYSA-N 2 1 277.412 2.465 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000631040453 351934210 /nfs/dbraw/zinc/93/42/10/351934210.db2.gz QFWDDVGIMXQREF-UHFFFAOYSA-N 2 1 277.412 2.465 20 0 CEADMP COc1cncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000631044900 351935632 /nfs/dbraw/zinc/93/56/32/351935632.db2.gz QEWQFMGLQRBSPM-HUUCEWRRSA-N 2 1 275.396 2.115 20 0 CEADMP COc1cncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000631044900 351935633 /nfs/dbraw/zinc/93/56/33/351935633.db2.gz QEWQFMGLQRBSPM-HUUCEWRRSA-N 2 1 275.396 2.115 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631181085 352004219 /nfs/dbraw/zinc/00/42/19/352004219.db2.gz ZYWJXERDCXEHBL-UHFFFAOYSA-N 2 1 266.295 2.085 20 0 CEADMP COc1cncc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1C ZINC000631181798 352004454 /nfs/dbraw/zinc/00/44/54/352004454.db2.gz SPOMHSWIWWSVBV-CQSZACIVSA-N 2 1 277.412 2.220 20 0 CEADMP COc1cncc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1C ZINC000631181798 352004458 /nfs/dbraw/zinc/00/44/58/352004458.db2.gz SPOMHSWIWWSVBV-CQSZACIVSA-N 2 1 277.412 2.220 20 0 CEADMP O[C@H](CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(F)F ZINC000631220079 352023553 /nfs/dbraw/zinc/02/35/53/352023553.db2.gz TWHKDXRFSYRTNM-OAHLLOKOSA-N 2 1 298.377 2.257 20 0 CEADMP CCNC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072966051 363185030 /nfs/dbraw/zinc/18/50/30/363185030.db2.gz QUDZBEKDTKBEPZ-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCNC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072966051 363185037 /nfs/dbraw/zinc/18/50/37/363185037.db2.gz QUDZBEKDTKBEPZ-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCNC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072966051 363185043 /nfs/dbraw/zinc/18/50/43/363185043.db2.gz QUDZBEKDTKBEPZ-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(O)(CC)CC2)[C@@H](C)C1 ZINC000678549462 539879860 /nfs/dbraw/zinc/87/98/60/539879860.db2.gz WLGDFAMNJNGUQA-JWMHWRSXSA-N 2 1 268.445 2.390 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(Cc3cccc4nsnc43)C2)C1 ZINC000292144892 198180064 /nfs/dbraw/zinc/18/00/64/198180064.db2.gz MWUWOOBURCLKJR-HNNXBMFYSA-N 2 1 288.420 2.219 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cncc(F)c1 ZINC000152456443 188020075 /nfs/dbraw/zinc/02/00/75/188020075.db2.gz XDEYPJAASJDRPH-RYUDHWBXSA-N 2 1 263.360 2.356 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cncc(F)c1 ZINC000152456443 188020077 /nfs/dbraw/zinc/02/00/77/188020077.db2.gz XDEYPJAASJDRPH-RYUDHWBXSA-N 2 1 263.360 2.356 20 0 CEADMP COC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000153732741 188099422 /nfs/dbraw/zinc/09/94/22/188099422.db2.gz FLWAKAXBNCDTNZ-NSHDSACASA-N 2 1 277.343 2.444 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000153731100 188100118 /nfs/dbraw/zinc/10/01/18/188100118.db2.gz GRYNANFSPJDTDW-CYBMUJFWSA-N 2 1 294.395 2.034 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)C1CCCCC1 ZINC000494897236 291003671 /nfs/dbraw/zinc/00/36/71/291003671.db2.gz YBQLPAIYUAREBT-CABCVRRESA-N 2 1 295.471 2.144 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CC2CCCCC2)CC1 ZINC000073957264 363273636 /nfs/dbraw/zinc/27/36/36/363273636.db2.gz DZZNETQOJWVQIN-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CC2CCCCC2)CC1 ZINC000073957264 363273638 /nfs/dbraw/zinc/27/36/38/363273638.db2.gz DZZNETQOJWVQIN-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000337309302 366139145 /nfs/dbraw/zinc/13/91/45/366139145.db2.gz YZFASWXBSFTKFA-JYJNAYRXSA-N 2 1 298.471 2.375 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc([S@@](C)=O)cc2)C1 ZINC000459721788 540015128 /nfs/dbraw/zinc/01/51/28/540015128.db2.gz AXQRTPBYHPFRPY-MGPUTAFESA-N 2 1 294.464 2.246 20 0 CEADMP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335460943 283009337 /nfs/dbraw/zinc/00/93/37/283009337.db2.gz IYZZBWZBWIWNGF-LBPRGKRZSA-N 2 1 299.187 2.385 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCCN(C(C)(C)C)CC2)CC[NH2+]1 ZINC000334837869 291056492 /nfs/dbraw/zinc/05/64/92/291056492.db2.gz CRMQRUCQSWWSPW-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@@H](CN2CCC[N@@H+](C(C)(C)C)CC2)CC[NH2+]1 ZINC000334837869 291056496 /nfs/dbraw/zinc/05/64/96/291056496.db2.gz CRMQRUCQSWWSPW-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@@H](CN2CCC[N@H+](C(C)(C)C)CC2)CC[NH2+]1 ZINC000334837869 291056500 /nfs/dbraw/zinc/05/65/00/291056500.db2.gz CRMQRUCQSWWSPW-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP C(C[N@H+]1CCC[C@H]1[C@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000569928404 299227179 /nfs/dbraw/zinc/22/71/79/299227179.db2.gz PXPXHMMITLTCPR-HOTGVXAUSA-N 2 1 266.429 2.267 20 0 CEADMP C[N@H+]1CC=C(C[NH2+]Cc2cccnc2Cl)CC1 ZINC000271867143 191377223 /nfs/dbraw/zinc/37/72/23/191377223.db2.gz WMLVPENEGYSVQJ-UHFFFAOYSA-N 2 1 251.761 2.087 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccnc2Cl)CC1 ZINC000271867143 191377226 /nfs/dbraw/zinc/37/72/26/191377226.db2.gz WMLVPENEGYSVQJ-UHFFFAOYSA-N 2 1 251.761 2.087 20 0 CEADMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1F ZINC000271864915 191377509 /nfs/dbraw/zinc/37/75/09/191377509.db2.gz VZBTUEXPIJARPL-UHFFFAOYSA-N 2 1 264.344 2.186 20 0 CEADMP CCO[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@H]1C[NH3+] ZINC000405537395 540135731 /nfs/dbraw/zinc/13/57/31/540135731.db2.gz PNAMUJZULFUREX-UKRRQHHQSA-N 2 1 282.815 2.444 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@H]1C[NH3+] ZINC000405537395 540135735 /nfs/dbraw/zinc/13/57/35/540135735.db2.gz PNAMUJZULFUREX-UKRRQHHQSA-N 2 1 282.815 2.444 20 0 CEADMP CC(C)C1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000381291884 540139446 /nfs/dbraw/zinc/13/94/46/540139446.db2.gz XOHKGOLYPKDTTI-HNNXBMFYSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000381291884 540139448 /nfs/dbraw/zinc/13/94/48/540139448.db2.gz XOHKGOLYPKDTTI-HNNXBMFYSA-N 2 1 256.434 2.056 20 0 CEADMP Cc1ccnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000683013319 540172354 /nfs/dbraw/zinc/17/23/54/540172354.db2.gz GWLWBRHIBJOFCP-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000683013319 540172355 /nfs/dbraw/zinc/17/23/55/540172355.db2.gz GWLWBRHIBJOFCP-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccnc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000683013319 540172359 /nfs/dbraw/zinc/17/23/59/540172359.db2.gz GWLWBRHIBJOFCP-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccnc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000683013319 540172362 /nfs/dbraw/zinc/17/23/62/540172362.db2.gz GWLWBRHIBJOFCP-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP CO[C@@H]1C[C@@H]([N@H+](C)CCn2cc[nH+]c2C)C12CCC2 ZINC000451835542 283121122 /nfs/dbraw/zinc/12/11/22/283121122.db2.gz AWWZBIWARJJOMJ-ZIAGYGMSSA-N 2 1 263.385 2.081 20 0 CEADMP CO[C@@H]1C[C@@H]([N@@H+](C)CCn2cc[nH+]c2C)C12CCC2 ZINC000451835542 283121124 /nfs/dbraw/zinc/12/11/24/283121124.db2.gz AWWZBIWARJJOMJ-ZIAGYGMSSA-N 2 1 263.385 2.081 20 0 CEADMP CO[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CCC[NH+]2C)C12CCC2 ZINC000451862962 283128513 /nfs/dbraw/zinc/12/85/13/283128513.db2.gz YMFJEJPYVTYVPC-RBSFLKMASA-N 2 1 266.429 2.360 20 0 CEADMP CO[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCC[N@@H+]2C)C12CCC2 ZINC000451862962 283128518 /nfs/dbraw/zinc/12/85/18/283128518.db2.gz YMFJEJPYVTYVPC-RBSFLKMASA-N 2 1 266.429 2.360 20 0 CEADMP CO[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCC[N@H+]2C)C12CCC2 ZINC000451862962 283128523 /nfs/dbraw/zinc/12/85/23/283128523.db2.gz YMFJEJPYVTYVPC-RBSFLKMASA-N 2 1 266.429 2.360 20 0 CEADMP C[N@@H+](CCSc1ccc(F)cc1)C1CC([NH3+])C1 ZINC000384904926 540220082 /nfs/dbraw/zinc/22/00/82/540220082.db2.gz OVABDRTWYZZLMN-UHFFFAOYSA-N 2 1 254.374 2.339 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCCC2)[C@H]2CCC[C@H]21 ZINC000367539005 283133792 /nfs/dbraw/zinc/13/37/92/283133792.db2.gz VLEIBZPAQKHGKX-OWCLPIDISA-N 2 1 280.456 2.392 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(CC[NH3+])CC1 ZINC000576589948 314291171 /nfs/dbraw/zinc/29/11/71/314291171.db2.gz KCXGWOVEBMKZIU-SNVBAGLBSA-N 2 1 264.373 2.069 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn(CC(C)C)c1 ZINC000272986715 192009654 /nfs/dbraw/zinc/00/96/54/192009654.db2.gz VXJRRKQHTNGNMB-UHFFFAOYSA-N 2 1 275.400 2.224 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000273659375 192249724 /nfs/dbraw/zinc/24/97/24/192249724.db2.gz XTQJZUMLZCPBOT-ZBFHGGJFSA-N 2 1 277.412 2.441 20 0 CEADMP CC[NH+](CC)CCCN(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000338283572 366273851 /nfs/dbraw/zinc/27/38/51/366273851.db2.gz SDAAGOWKIPJAOM-CVEARBPZSA-N 2 1 269.477 2.380 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000353064082 283188389 /nfs/dbraw/zinc/18/83/89/283188389.db2.gz WRXUPNHEMWQBRQ-KKUMJFAQSA-N 2 1 267.461 2.322 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000353064082 283188391 /nfs/dbraw/zinc/18/83/91/283188391.db2.gz WRXUPNHEMWQBRQ-KKUMJFAQSA-N 2 1 267.461 2.322 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000353064082 283188395 /nfs/dbraw/zinc/18/83/95/283188395.db2.gz WRXUPNHEMWQBRQ-KKUMJFAQSA-N 2 1 267.461 2.322 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000338345828 366308257 /nfs/dbraw/zinc/30/82/57/366308257.db2.gz BDFAPVOLXMURPI-LSDHHAIUSA-N 2 1 256.434 2.344 20 0 CEADMP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)cc(C)c1O ZINC000211478496 538845334 /nfs/dbraw/zinc/84/53/34/538845334.db2.gz LMXNAVZZQIRLOI-UHFFFAOYSA-N 2 1 250.386 2.393 20 0 CEADMP Cc1cc(C[N@H+](C)CCC[NH+](C)C)cc(C)c1O ZINC000211478496 538845340 /nfs/dbraw/zinc/84/53/40/538845340.db2.gz LMXNAVZZQIRLOI-UHFFFAOYSA-N 2 1 250.386 2.393 20 0 CEADMP Cc1ccc2cc[nH+]c(NC[C@@](C)(O)C[NH+](C)C)c2c1 ZINC000570628258 299267695 /nfs/dbraw/zinc/26/76/95/299267695.db2.gz PAZWOLYYMYRNCY-MRXNPFEDSA-N 2 1 273.380 2.268 20 0 CEADMP Cc1cccnc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000166242223 540335269 /nfs/dbraw/zinc/33/52/69/540335269.db2.gz XSLUROJAAPDUMD-CABCVRRESA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cccnc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000166242223 540335271 /nfs/dbraw/zinc/33/52/71/540335271.db2.gz XSLUROJAAPDUMD-CABCVRRESA-N 2 1 259.397 2.354 20 0 CEADMP Oc1ccccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166440514 540340158 /nfs/dbraw/zinc/34/01/58/540340158.db2.gz NECBEIGQIMKRKL-LSDHHAIUSA-N 2 1 260.381 2.151 20 0 CEADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414803318 236486692 /nfs/dbraw/zinc/48/66/92/236486692.db2.gz NPTWVBHTHIXUEH-WFASDCNBSA-N 2 1 275.396 2.039 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2ccncc2)C1 ZINC000577862146 366409225 /nfs/dbraw/zinc/40/92/25/366409225.db2.gz YCLIPRQZHWNYLG-HOTGVXAUSA-N 2 1 259.397 2.355 20 0 CEADMP CCn1nccc1CC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000338544706 366404161 /nfs/dbraw/zinc/40/41/61/366404161.db2.gz FUGRJNXGSTUSMW-OAHLLOKOSA-N 2 1 278.444 2.109 20 0 CEADMP CCn1nccc1CC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000338544706 366404164 /nfs/dbraw/zinc/40/41/64/366404164.db2.gz FUGRJNXGSTUSMW-OAHLLOKOSA-N 2 1 278.444 2.109 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(C)(C)C(=O)OC)C1 ZINC000338545118 366404445 /nfs/dbraw/zinc/40/44/45/366404445.db2.gz HOMWQJVTFAMFJD-AWEZNQCLSA-N 2 1 284.444 2.239 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000570889957 299283447 /nfs/dbraw/zinc/28/34/47/299283447.db2.gz ZLQZLYXCVMDFHO-RBSFLKMASA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000570889957 299283449 /nfs/dbraw/zinc/28/34/49/299283449.db2.gz ZLQZLYXCVMDFHO-RBSFLKMASA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000570889957 299283452 /nfs/dbraw/zinc/28/34/52/299283452.db2.gz ZLQZLYXCVMDFHO-RBSFLKMASA-N 2 1 255.450 2.179 20 0 CEADMP CCOC(=O)N[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)CC(C)C ZINC000496707064 291163064 /nfs/dbraw/zinc/16/30/64/291163064.db2.gz FXUASDRGOIRKJS-QLFBSQMISA-N 2 1 299.459 2.267 20 0 CEADMP CCOC1CC2(C1)CC[N@H+](CCCc1c[nH+]cn1C)C2 ZINC000578451157 366495865 /nfs/dbraw/zinc/49/58/65/366495865.db2.gz XCKQHLJTODIWFY-UHFFFAOYSA-N 2 1 277.412 2.244 20 0 CEADMP CCOC1CC2(C1)CC[N@@H+](CCCc1c[nH+]cn1C)C2 ZINC000578451157 366495871 /nfs/dbraw/zinc/49/58/71/366495871.db2.gz XCKQHLJTODIWFY-UHFFFAOYSA-N 2 1 277.412 2.244 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000392912024 540435556 /nfs/dbraw/zinc/43/55/56/540435556.db2.gz XZUKNQWWLPSQGJ-IMJJTQAJSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000392912024 540435560 /nfs/dbraw/zinc/43/55/60/540435560.db2.gz XZUKNQWWLPSQGJ-IMJJTQAJSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000392912024 540435565 /nfs/dbraw/zinc/43/55/65/540435565.db2.gz XZUKNQWWLPSQGJ-IMJJTQAJSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000392912024 540435569 /nfs/dbraw/zinc/43/55/69/540435569.db2.gz XZUKNQWWLPSQGJ-IMJJTQAJSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCN2Cc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000671744344 540497565 /nfs/dbraw/zinc/49/75/65/540497565.db2.gz SMNQGQBILYHVPT-QYZOEREBSA-N 2 1 299.462 2.465 20 0 CEADMP Cc1[nH+]cc(CN2CC[N@H+](C)CC23CCCCC3)n1C ZINC000667690965 540521082 /nfs/dbraw/zinc/52/10/82/540521082.db2.gz MTBUZLACDVMKCN-UHFFFAOYSA-N 2 1 276.428 2.179 20 0 CEADMP Cc1[nH+]cc(CN2CC[N@@H+](C)CC23CCCCC3)n1C ZINC000667690965 540521084 /nfs/dbraw/zinc/52/10/84/540521084.db2.gz MTBUZLACDVMKCN-UHFFFAOYSA-N 2 1 276.428 2.179 20 0 CEADMP c1nc2n(c1C[N@H+]1CCOCC3(CCCC3)C1)CCC2 ZINC000668005450 540551022 /nfs/dbraw/zinc/55/10/22/540551022.db2.gz WBHRJOKTMPIBFS-UHFFFAOYSA-N 2 1 275.396 2.222 20 0 CEADMP c1nc2n(c1CN1CCOCC3(CCCC3)C1)CCC2 ZINC000668005450 540551025 /nfs/dbraw/zinc/55/10/25/540551025.db2.gz WBHRJOKTMPIBFS-UHFFFAOYSA-N 2 1 275.396 2.222 20 0 CEADMP Clc1ccc(OCC[NH2+]C2CC[NH+](C3CC3)CC2)nc1 ZINC000297348116 200157013 /nfs/dbraw/zinc/15/70/13/200157013.db2.gz FBRUJYPUFJPUDE-UHFFFAOYSA-N 2 1 295.814 2.330 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccccc1C ZINC000578717574 366537094 /nfs/dbraw/zinc/53/70/94/366537094.db2.gz ZRGUKGIQSHQFGS-NVXWUHKLSA-N 2 1 276.424 2.445 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccccc1C ZINC000578717574 366537100 /nfs/dbraw/zinc/53/71/00/366537100.db2.gz ZRGUKGIQSHQFGS-NVXWUHKLSA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000578717574 366537106 /nfs/dbraw/zinc/53/71/06/366537106.db2.gz ZRGUKGIQSHQFGS-NVXWUHKLSA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000578717574 366537111 /nfs/dbraw/zinc/53/71/11/366537111.db2.gz ZRGUKGIQSHQFGS-NVXWUHKLSA-N 2 1 276.424 2.445 20 0 CEADMP CSCC[NH+](C)CC(C)C[N@H+](C)CCSC ZINC000138234621 366552291 /nfs/dbraw/zinc/55/22/91/366552291.db2.gz PNXPISZFRUCZMH-UHFFFAOYSA-N 2 1 264.504 2.212 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000579022571 366583547 /nfs/dbraw/zinc/58/35/47/366583547.db2.gz FPNFBPHKQLMAGJ-HUUCEWRRSA-N 2 1 279.428 2.488 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000579022571 366583555 /nfs/dbraw/zinc/58/35/55/366583555.db2.gz FPNFBPHKQLMAGJ-HUUCEWRRSA-N 2 1 279.428 2.488 20 0 CEADMP CCN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000579009378 366580315 /nfs/dbraw/zinc/58/03/15/366580315.db2.gz WJXKJZFEDYTYIX-KRWDZBQOSA-N 2 1 288.439 2.113 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000579009378 366580319 /nfs/dbraw/zinc/58/03/19/366580319.db2.gz WJXKJZFEDYTYIX-KRWDZBQOSA-N 2 1 288.439 2.113 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2sc(C)nc2C)C1 ZINC000080693650 363679169 /nfs/dbraw/zinc/67/91/69/363679169.db2.gz ITRPTJNOKIUEIW-GFCCVEGCSA-N 2 1 253.415 2.191 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2sc(C)nc2C)C1 ZINC000080693650 363679176 /nfs/dbraw/zinc/67/91/76/363679176.db2.gz ITRPTJNOKIUEIW-GFCCVEGCSA-N 2 1 253.415 2.191 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cccnc1-n1ccnc1 ZINC000151504792 366649399 /nfs/dbraw/zinc/64/93/99/366649399.db2.gz GHLYECMPZCBWDZ-IIAWOOMASA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000151504792 366649402 /nfs/dbraw/zinc/64/94/02/366649402.db2.gz GHLYECMPZCBWDZ-IIAWOOMASA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000151504792 366649407 /nfs/dbraw/zinc/64/94/07/366649407.db2.gz GHLYECMPZCBWDZ-IIAWOOMASA-N 3 1 299.422 2.086 20 0 CEADMP C[C@H]([NH2+]Cc1cccc(F)c1F)[C@@H]1CCC[NH2+]C1 ZINC000579567767 366664499 /nfs/dbraw/zinc/66/44/99/366664499.db2.gz CXLUSEFGRHRMAG-WDEREUQCSA-N 2 1 254.324 2.443 20 0 CEADMP Cn1cc([C@H](NC[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)cn1 ZINC000579550635 366659935 /nfs/dbraw/zinc/65/99/35/366659935.db2.gz DFEVEILMYBEVDM-MAUKXSAKSA-N 2 1 298.434 2.441 20 0 CEADMP Cc1cnn(CC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000341903511 216146924 /nfs/dbraw/zinc/14/69/24/216146924.db2.gz PELMSZKHUCYZRZ-JKSUJKDBSA-N 2 1 290.455 2.434 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000674067626 540721565 /nfs/dbraw/zinc/72/15/65/540721565.db2.gz LXXHJAQEJDERIK-RHSMWYFYSA-N 2 1 284.407 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000674067626 540721568 /nfs/dbraw/zinc/72/15/68/540721568.db2.gz LXXHJAQEJDERIK-RHSMWYFYSA-N 2 1 284.407 2.410 20 0 CEADMP C[C@@H](O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000178543656 189125586 /nfs/dbraw/zinc/12/55/86/189125586.db2.gz DWJMFCIQRDHRAH-WOSRLPQWSA-N 2 1 262.397 2.312 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000571520658 299313368 /nfs/dbraw/zinc/31/33/68/299313368.db2.gz IABFJLDLVWFKLO-AWEZNQCLSA-N 2 1 281.444 2.027 20 0 CEADMP Fc1ccc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000178958129 189157159 /nfs/dbraw/zinc/15/71/59/189157159.db2.gz CBCRJJFHLKPIDT-MRXNPFEDSA-N 2 1 278.371 2.199 20 0 CEADMP Cc1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c(C)s1 ZINC000675472118 540844634 /nfs/dbraw/zinc/84/46/34/540844634.db2.gz VSAYRUKPMKAOME-UHFFFAOYSA-N 2 1 295.496 2.482 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752432 540870711 /nfs/dbraw/zinc/87/07/11/540870711.db2.gz VCZADWPSSRMTLU-BARDWOONSA-N 2 1 252.402 2.018 20 0 CEADMP COc1nc(C)cc(C)c1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000675808681 540875462 /nfs/dbraw/zinc/87/54/62/540875462.db2.gz QGQOWRKXXQOXPW-ZIAGYGMSSA-N 2 1 277.412 2.279 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000675883162 540878531 /nfs/dbraw/zinc/87/85/31/540878531.db2.gz XDHSUARGFHMMAR-HZPDHXFCSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn3ccccc23)[C@H](C)C1 ZINC000179884673 189225785 /nfs/dbraw/zinc/22/57/85/189225785.db2.gz BBGVKCLDPVBMLE-GDBMZVCRSA-N 2 1 286.423 2.496 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn3ccccc23)[C@H](C)C1 ZINC000179884673 189225786 /nfs/dbraw/zinc/22/57/86/189225786.db2.gz BBGVKCLDPVBMLE-GDBMZVCRSA-N 2 1 286.423 2.496 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn3ccccc23)[C@H](C)C1 ZINC000179884673 189225787 /nfs/dbraw/zinc/22/57/87/189225787.db2.gz BBGVKCLDPVBMLE-GDBMZVCRSA-N 2 1 286.423 2.496 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn3ccccc23)[C@H](C)C1 ZINC000179884673 189225788 /nfs/dbraw/zinc/22/57/88/189225788.db2.gz BBGVKCLDPVBMLE-GDBMZVCRSA-N 2 1 286.423 2.496 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677239951 540995655 /nfs/dbraw/zinc/99/56/55/540995655.db2.gz AKSJXUDHQZAHRV-VYDXJSESSA-N 2 1 274.408 2.245 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677239951 540995657 /nfs/dbraw/zinc/99/56/57/540995657.db2.gz AKSJXUDHQZAHRV-VYDXJSESSA-N 2 1 274.408 2.245 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000579898049 366718330 /nfs/dbraw/zinc/71/83/30/366718330.db2.gz XFJXSLAOACQBFC-SQWLQELKSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000579898049 366718333 /nfs/dbraw/zinc/71/83/33/366718333.db2.gz XFJXSLAOACQBFC-SQWLQELKSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000579898049 366718336 /nfs/dbraw/zinc/71/83/36/366718336.db2.gz XFJXSLAOACQBFC-SQWLQELKSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](CCN1CCOCC1)[NH2+]Cc1cccc([O-])c1Cl ZINC000339272878 366695706 /nfs/dbraw/zinc/69/57/06/366695706.db2.gz PUPOELALGJUYKC-LBPRGKRZSA-N 2 1 298.814 2.246 20 0 CEADMP CCOC(=O)CCCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152472349 366699118 /nfs/dbraw/zinc/69/91/18/366699118.db2.gz IYNJPMBJOSLBCC-HNNXBMFYSA-N 2 1 284.444 2.384 20 0 CEADMP CCOC(=O)CCCCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152472349 366699124 /nfs/dbraw/zinc/69/91/24/366699124.db2.gz IYNJPMBJOSLBCC-HNNXBMFYSA-N 2 1 284.444 2.384 20 0 CEADMP CCOC(=O)CCCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152472349 366699132 /nfs/dbraw/zinc/69/91/32/366699132.db2.gz IYNJPMBJOSLBCC-HNNXBMFYSA-N 2 1 284.444 2.384 20 0 CEADMP CCC[C@@H](C[NH2+]CCCCn1cc[nH+]c1C)OC ZINC000638673879 370676590 /nfs/dbraw/zinc/67/65/90/370676590.db2.gz ARLTUEXNMNMGGV-AWEZNQCLSA-N 2 1 253.390 2.376 20 0 CEADMP C[NH2+]CCCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000237136080 370693079 /nfs/dbraw/zinc/69/30/79/370693079.db2.gz KPXOUJZNCUMKFB-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP COC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000342339832 216314691 /nfs/dbraw/zinc/31/46/91/216314691.db2.gz ICSDVUMRXJQRDM-HNNXBMFYSA-N 2 1 277.343 2.308 20 0 CEADMP CC(C)C[C@@H](CNc1cc(NCC2CC2)[nH+]cn1)[NH+](C)C ZINC000340025031 366748082 /nfs/dbraw/zinc/74/80/82/366748082.db2.gz XRVNHIMCTDZNML-AWEZNQCLSA-N 2 1 291.443 2.109 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000340190448 366797079 /nfs/dbraw/zinc/79/70/79/366797079.db2.gz GBYQZYKYEMHNKJ-GXTWGEPZSA-N 2 1 251.374 2.129 20 0 CEADMP C[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCC[C@H](C)C1 ZINC000155947996 366824435 /nfs/dbraw/zinc/82/44/35/366824435.db2.gz NTLSILNSZMELGF-XUWVNRHRSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000155947996 366824438 /nfs/dbraw/zinc/82/44/38/366824438.db2.gz NTLSILNSZMELGF-XUWVNRHRSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000155947996 366824444 /nfs/dbraw/zinc/82/44/44/366824444.db2.gz NTLSILNSZMELGF-XUWVNRHRSA-N 2 1 267.461 2.179 20 0 CEADMP Cc1[nH+]ccn1CCCCN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000678079528 541078592 /nfs/dbraw/zinc/07/85/92/541078592.db2.gz PELNSFJXGIXIDW-MRXNPFEDSA-N 2 1 278.444 2.434 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CCCOC[C@@H]1C ZINC000678080425 541078666 /nfs/dbraw/zinc/07/86/66/541078666.db2.gz DTQVJCUOALUUEL-ZDUSSCGKSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCOC[C@@H]1C ZINC000678080425 541078669 /nfs/dbraw/zinc/07/86/69/541078669.db2.gz DTQVJCUOALUUEL-ZDUSSCGKSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCOC[C@@H]1C ZINC000678080425 541078671 /nfs/dbraw/zinc/07/86/71/541078671.db2.gz DTQVJCUOALUUEL-ZDUSSCGKSA-N 2 1 251.374 2.083 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNc2nc(N(C)C)cc[nH+]2)C1 ZINC000301715534 201157926 /nfs/dbraw/zinc/15/79/26/201157926.db2.gz GPOLYAFAGAMXJQ-ZIAGYGMSSA-N 2 1 291.443 2.323 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000155989444 366826184 /nfs/dbraw/zinc/82/61/84/366826184.db2.gz XJNFIMZZOSKITD-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CC[NH+]1CCC(NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000019912915 361567122 /nfs/dbraw/zinc/56/71/22/361567122.db2.gz XZSDDCNFUBZPKT-HNNXBMFYSA-N 2 1 267.461 2.325 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@](C)(O)c1ccsc1 ZINC000185205714 189406898 /nfs/dbraw/zinc/40/68/98/189406898.db2.gz WIEURKNCLSCZHD-HNNXBMFYSA-N 2 1 291.420 2.206 20 0 CEADMP C[C@H](c1ccncc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000678718845 541166409 /nfs/dbraw/zinc/16/64/09/541166409.db2.gz BORALIFYFROIMY-OAHLLOKOSA-N 2 1 290.455 2.100 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC000085167813 363831468 /nfs/dbraw/zinc/83/14/68/363831468.db2.gz MVZZGQNZEOMCHW-UHFFFAOYSA-N 2 1 264.417 2.286 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1sccc1Br ZINC000087576055 363861249 /nfs/dbraw/zinc/86/12/49/363861249.db2.gz AWJFZWJZDIVMTQ-QMMMGPOBSA-N 2 1 277.231 2.456 20 0 CEADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1CSC1)C2 ZINC000679624673 541296130 /nfs/dbraw/zinc/29/61/30/541296130.db2.gz GVIQECQVAXRGFD-UHFFFAOYSA-N 2 1 262.422 2.140 20 0 CEADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]C1CSC1)C2 ZINC000679624673 541296132 /nfs/dbraw/zinc/29/61/32/541296132.db2.gz GVIQECQVAXRGFD-UHFFFAOYSA-N 2 1 262.422 2.140 20 0 CEADMP COc1ccccc1OCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000088399415 363893309 /nfs/dbraw/zinc/89/33/09/363893309.db2.gz VCFNMRHILOKVBC-KGLIPLIRSA-N 2 1 278.396 2.133 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000088413688 363895328 /nfs/dbraw/zinc/89/53/28/363895328.db2.gz URZDQZGPJOQMDZ-CQSZACIVSA-N 2 1 278.396 2.005 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000088413688 363895336 /nfs/dbraw/zinc/89/53/36/363895336.db2.gz URZDQZGPJOQMDZ-CQSZACIVSA-N 2 1 278.396 2.005 20 0 CEADMP C[C@H](CCCO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000088503259 363902500 /nfs/dbraw/zinc/90/25/00/363902500.db2.gz NGAOTIHVLNZADR-OAHLLOKOSA-N 2 1 276.424 2.402 20 0 CEADMP COCc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000088555267 363908348 /nfs/dbraw/zinc/90/83/48/363908348.db2.gz ONSIFKQNDKZJOW-XJKSGUPXSA-N 2 1 262.397 2.392 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2sc(C)nc2C)C1 ZINC000088868366 363926066 /nfs/dbraw/zinc/92/60/66/363926066.db2.gz XYTSRFUFPYPXBD-GFCCVEGCSA-N 2 1 253.415 2.191 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2sc(C)nc2C)C1 ZINC000088868366 363926069 /nfs/dbraw/zinc/92/60/69/363926069.db2.gz XYTSRFUFPYPXBD-GFCCVEGCSA-N 2 1 253.415 2.191 20 0 CEADMP Cc1ncsc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000088869853 363927409 /nfs/dbraw/zinc/92/74/09/363927409.db2.gz NJVMUDYYIKKSAS-GFCCVEGCSA-N 2 1 253.415 2.271 20 0 CEADMP Cc1ncsc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000088869853 363927420 /nfs/dbraw/zinc/92/74/20/363927420.db2.gz NJVMUDYYIKKSAS-GFCCVEGCSA-N 2 1 253.415 2.271 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(Cl)cn2)[C@H](C)C1 ZINC000090409202 364055527 /nfs/dbraw/zinc/05/55/27/364055527.db2.gz GCDNDSOORMNPFF-TZMCWYRMSA-N 2 1 297.830 2.434 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000090811127 364065883 /nfs/dbraw/zinc/06/58/83/364065883.db2.gz JLRGRCRMESQVGT-KBUPBQIOSA-N 2 1 270.461 2.348 20 0 CEADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCc3cscn3)C2)C1 ZINC000334625185 364098639 /nfs/dbraw/zinc/09/86/39/364098639.db2.gz YLDSXYMHMXESLG-CQSZACIVSA-N 2 1 265.426 2.103 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3cscn3)C2)C1 ZINC000334625185 364098645 /nfs/dbraw/zinc/09/86/45/364098645.db2.gz YLDSXYMHMXESLG-CQSZACIVSA-N 2 1 265.426 2.103 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3cscn3)C2)C1 ZINC000334625185 364098648 /nfs/dbraw/zinc/09/86/48/364098648.db2.gz YLDSXYMHMXESLG-CQSZACIVSA-N 2 1 265.426 2.103 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3cscn3)C2)C1 ZINC000334625185 364098651 /nfs/dbraw/zinc/09/86/51/364098651.db2.gz YLDSXYMHMXESLG-CQSZACIVSA-N 2 1 265.426 2.103 20 0 CEADMP Cc1ccc([C@H](N)C(=O)N2CCC(c3c[nH]cn3)CC2)cc1 ZINC000334661321 364147356 /nfs/dbraw/zinc/14/73/56/364147356.db2.gz QZIOPKUORIWXFT-INIZCTEOSA-N 2 1 298.390 2.124 20 0 CEADMP Cc1ccc([C@H]([NH3+])C(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000334661321 364147361 /nfs/dbraw/zinc/14/73/61/364147361.db2.gz QZIOPKUORIWXFT-INIZCTEOSA-N 2 1 298.390 2.124 20 0 CEADMP C[N@@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000093453283 364183869 /nfs/dbraw/zinc/18/38/69/364183869.db2.gz VCWMATIMBBOQRW-BBWFWOEESA-N 2 1 279.472 2.371 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC[NH+]1CCCC1 ZINC000093496750 364193852 /nfs/dbraw/zinc/19/38/52/364193852.db2.gz GSPXPICKUMCXCW-HZPDHXFCSA-N 3 1 267.461 2.373 20 0 CEADMP Cc1nc(CC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cs1 ZINC000334710761 364217801 /nfs/dbraw/zinc/21/78/01/364217801.db2.gz MPWBNAQVXSKNSC-OAHLLOKOSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1nc(CC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cs1 ZINC000334710761 364217804 /nfs/dbraw/zinc/21/78/04/364217804.db2.gz MPWBNAQVXSKNSC-OAHLLOKOSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1nc(CC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cs1 ZINC000334710761 364217810 /nfs/dbraw/zinc/21/78/10/364217810.db2.gz MPWBNAQVXSKNSC-OAHLLOKOSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1nc(CC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cs1 ZINC000334710761 364217813 /nfs/dbraw/zinc/21/78/13/364217813.db2.gz MPWBNAQVXSKNSC-OAHLLOKOSA-N 2 1 279.453 2.412 20 0 CEADMP COc1cc(OC)c(OC)cc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000093872947 364237168 /nfs/dbraw/zinc/23/71/68/364237168.db2.gz VANWOWTYCBTYTO-UHFFFAOYSA-N 2 1 296.411 2.129 20 0 CEADMP COc1cc(OC)c(OC)cc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093872947 364237172 /nfs/dbraw/zinc/23/71/72/364237172.db2.gz VANWOWTYCBTYTO-UHFFFAOYSA-N 2 1 296.411 2.129 20 0 CEADMP C[C@@H]1C[N@@H+](CCSc2ccccc2)CC[C@@H]1[NH3+] ZINC000094341764 364268396 /nfs/dbraw/zinc/26/83/96/364268396.db2.gz ITZWWKWPJHBLOC-OCCSQVGLSA-N 2 1 250.411 2.448 20 0 CEADMP C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000094342151 364269671 /nfs/dbraw/zinc/26/96/71/364269671.db2.gz VRXXSDHYXWAYLZ-FZMZJTMJSA-N 2 1 268.788 2.388 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cccn2)CC[N@H+]1C ZINC000094627625 364284999 /nfs/dbraw/zinc/28/49/99/364284999.db2.gz YIQUHUCPPJTJGC-ZBFHGGJFSA-N 2 1 284.407 2.445 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000334980294 364305299 /nfs/dbraw/zinc/30/52/99/364305299.db2.gz MEHJBVMMGJPHNJ-GDBMZVCRSA-N 2 1 274.408 2.435 20 0 CEADMP c1cc2c(s1)CCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000335032451 364378819 /nfs/dbraw/zinc/37/88/19/364378819.db2.gz YTHAVIAIGCRSFV-DGCLKSJQSA-N 2 1 266.410 2.094 20 0 CEADMP C1CC2(C1)CC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000335036189 364384268 /nfs/dbraw/zinc/38/42/68/364384268.db2.gz MXUIOZVJLAGSLS-UYSNPLJNSA-N 2 1 277.456 2.125 20 0 CEADMP C1C[C@@]2(CS1)CCC[N@H+]([C@H]1CCC[NH2+]CC1)C2 ZINC000335009078 364344593 /nfs/dbraw/zinc/34/45/93/364344593.db2.gz JYGNMQKMJQOAHM-KBPBESRZSA-N 2 1 254.443 2.348 20 0 CEADMP CCC(CC)[C@H](C[NH2+]C[C@@H]1CCCOC1)[NH+](C)C ZINC000104310262 364692144 /nfs/dbraw/zinc/69/21/44/364692144.db2.gz RVMWCRVIZHFITC-ZFWWWQNUSA-N 2 1 256.434 2.369 20 0 CEADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CCCO2 ZINC000335553456 364802948 /nfs/dbraw/zinc/80/29/48/364802948.db2.gz WOZTZNFKRRMEJL-HNNXBMFYSA-N 2 1 260.381 2.326 20 0 CEADMP c1ccc2c(c1)CCSC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335569413 364805943 /nfs/dbraw/zinc/80/59/43/364805943.db2.gz XRBBCCVQHKKRLN-HNNXBMFYSA-N 2 1 262.422 2.359 20 0 CEADMP CC(C)Oc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000112204708 364778464 /nfs/dbraw/zinc/77/84/64/364778464.db2.gz NKHIRENBYGOXFV-GJZGRUSLSA-N 2 1 260.381 2.125 20 0 CEADMP c1nn2ccccc2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112836450 364849824 /nfs/dbraw/zinc/84/98/24/364849824.db2.gz KQWRUMDZZHVCJF-HUUCEWRRSA-N 2 1 270.380 2.051 20 0 CEADMP c1nn2ccccc2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112836450 364849830 /nfs/dbraw/zinc/84/98/30/364849830.db2.gz KQWRUMDZZHVCJF-HUUCEWRRSA-N 2 1 270.380 2.051 20 0 CEADMP COc1ccc(CC[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000114477706 364947077 /nfs/dbraw/zinc/94/70/77/364947077.db2.gz JMULTPGMJMGSBW-OAHLLOKOSA-N 2 1 262.397 2.121 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000114479670 364947924 /nfs/dbraw/zinc/94/79/24/364947924.db2.gz MHWBESGGVRUIRO-INIZCTEOSA-N 2 1 284.407 2.256 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000114475739 364948212 /nfs/dbraw/zinc/94/82/12/364948212.db2.gz WJOWLAZBWOOSHC-UHFFFAOYSA-N 2 1 264.417 2.354 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000114475739 364948213 /nfs/dbraw/zinc/94/82/13/364948213.db2.gz WJOWLAZBWOOSHC-UHFFFAOYSA-N 2 1 264.417 2.354 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc4c[nH]nc43)C2)C1 ZINC000335780461 364972854 /nfs/dbraw/zinc/97/28/54/364972854.db2.gz VIQAZSYVYOPMGI-KRWDZBQOSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc4c[nH]nc43)C2)C1 ZINC000335780461 364972860 /nfs/dbraw/zinc/97/28/60/364972860.db2.gz VIQAZSYVYOPMGI-KRWDZBQOSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc4c[nH]nc43)C2)C1 ZINC000335780461 364972873 /nfs/dbraw/zinc/97/28/73/364972873.db2.gz VIQAZSYVYOPMGI-KRWDZBQOSA-N 2 1 284.407 2.481 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000572249840 299354404 /nfs/dbraw/zinc/35/44/04/299354404.db2.gz GWDSINSGATXPGR-ZDUSSCGKSA-N 2 1 259.397 2.002 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000572249840 299354407 /nfs/dbraw/zinc/35/44/07/299354407.db2.gz GWDSINSGATXPGR-ZDUSSCGKSA-N 2 1 259.397 2.002 20 0 CEADMP Cc1nc(C)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)s1 ZINC000335917581 365159798 /nfs/dbraw/zinc/15/97/98/365159798.db2.gz IPPJTBGEQUXLIW-CQSZACIVSA-N 2 1 265.426 2.288 20 0 CEADMP Cc1nc(C)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)s1 ZINC000335917581 365159802 /nfs/dbraw/zinc/15/98/02/365159802.db2.gz IPPJTBGEQUXLIW-CQSZACIVSA-N 2 1 265.426 2.288 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)s1 ZINC000335917581 365159805 /nfs/dbraw/zinc/15/98/05/365159805.db2.gz IPPJTBGEQUXLIW-CQSZACIVSA-N 2 1 265.426 2.288 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)s1 ZINC000335917581 365159810 /nfs/dbraw/zinc/15/98/10/365159810.db2.gz IPPJTBGEQUXLIW-CQSZACIVSA-N 2 1 265.426 2.288 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638849596 370795333 /nfs/dbraw/zinc/79/53/33/370795333.db2.gz XJMDGHHLXGIKEP-UHFFFAOYSA-N 2 1 299.365 2.207 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000119254455 365242791 /nfs/dbraw/zinc/24/27/91/365242791.db2.gz HPCNLGQFSLNMDA-QAPCUYQASA-N 2 1 298.434 2.361 20 0 CEADMP CSC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000335998748 365272275 /nfs/dbraw/zinc/27/22/75/365272275.db2.gz RHOLRSOGRXVZDS-QWHCGFSZSA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000335998748 365272279 /nfs/dbraw/zinc/27/22/79/365272279.db2.gz RHOLRSOGRXVZDS-QWHCGFSZSA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000335998748 365272282 /nfs/dbraw/zinc/27/22/82/365272282.db2.gz RHOLRSOGRXVZDS-QWHCGFSZSA-N 2 1 254.443 2.298 20 0 CEADMP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@H]1[NH3+] ZINC000336055517 365346685 /nfs/dbraw/zinc/34/66/85/365346685.db2.gz IESJHFYMSRMSJK-XHDPSFHLSA-N 2 1 288.370 2.385 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@H]1[NH3+] ZINC000336055517 365346691 /nfs/dbraw/zinc/34/66/91/365346691.db2.gz IESJHFYMSRMSJK-XHDPSFHLSA-N 2 1 288.370 2.385 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC[N@@H+]1C ZINC000336088519 365392421 /nfs/dbraw/zinc/39/24/21/365392421.db2.gz HAAVYBQVYPCASI-IGJPJIBNSA-N 2 1 294.361 2.295 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC[N@H+]1C ZINC000336088519 365392426 /nfs/dbraw/zinc/39/24/26/365392426.db2.gz HAAVYBQVYPCASI-IGJPJIBNSA-N 2 1 294.361 2.295 20 0 CEADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275760549 193121450 /nfs/dbraw/zinc/12/14/50/193121450.db2.gz STRJSNHBWLWQBK-XIRDDKMYSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275760549 193121452 /nfs/dbraw/zinc/12/14/52/193121452.db2.gz STRJSNHBWLWQBK-XIRDDKMYSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340473898 366899087 /nfs/dbraw/zinc/89/90/87/366899087.db2.gz DYVAPNHELZWXEL-JKSUJKDBSA-N 3 1 267.461 2.182 20 0 CEADMP C[C@H]1CN(C)CC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340473898 366899089 /nfs/dbraw/zinc/89/90/89/366899089.db2.gz DYVAPNHELZWXEL-JKSUJKDBSA-N 2 1 267.461 2.182 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000340482609 366903397 /nfs/dbraw/zinc/90/33/97/366903397.db2.gz CEILWOXBODOLFH-FUHWJXTLSA-N 2 1 288.435 2.491 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C1CC1 ZINC000340518043 366918301 /nfs/dbraw/zinc/91/83/01/366918301.db2.gz JPGYKWRTLSHCFJ-ZJIFWQFVSA-N 2 1 278.440 2.264 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000582972436 366984660 /nfs/dbraw/zinc/98/46/60/366984660.db2.gz JJRPBTDPQPAPSF-NXHRZFHOSA-N 2 1 290.451 2.485 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000582972436 366984661 /nfs/dbraw/zinc/98/46/61/366984661.db2.gz JJRPBTDPQPAPSF-NXHRZFHOSA-N 2 1 290.451 2.485 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000582972436 366984664 /nfs/dbraw/zinc/98/46/64/366984664.db2.gz JJRPBTDPQPAPSF-NXHRZFHOSA-N 2 1 290.451 2.485 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000582993941 366986654 /nfs/dbraw/zinc/98/66/54/366986654.db2.gz BPIJLIGDYJVSPS-QLFBSQMISA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000582993941 366986658 /nfs/dbraw/zinc/98/66/58/366986658.db2.gz BPIJLIGDYJVSPS-QLFBSQMISA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000582993941 366986662 /nfs/dbraw/zinc/98/66/62/366986662.db2.gz BPIJLIGDYJVSPS-QLFBSQMISA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000340712645 366998895 /nfs/dbraw/zinc/99/88/95/366998895.db2.gz PQFBABOWYLALKM-UHFFFAOYSA-N 2 1 296.484 2.500 20 0 CEADMP Cc1nc(C[N@@H+](C)CCCn2ccnc2)cs1 ZINC000162296817 367148893 /nfs/dbraw/zinc/14/88/93/367148893.db2.gz YGJMORLIWVAUQK-UHFFFAOYSA-N 2 1 250.371 2.170 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357846709 370831157 /nfs/dbraw/zinc/83/11/57/370831157.db2.gz IFGHAVGMBLDYDC-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357846709 370831160 /nfs/dbraw/zinc/83/11/60/370831160.db2.gz IFGHAVGMBLDYDC-GJZGRUSLSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357846709 370831162 /nfs/dbraw/zinc/83/11/62/370831162.db2.gz IFGHAVGMBLDYDC-GJZGRUSLSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1n1ccnc1 ZINC000245574007 370842948 /nfs/dbraw/zinc/84/29/48/370842948.db2.gz AKXPWNODMFHLED-BZUAXINKSA-N 2 1 276.428 2.250 20 0 CEADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@H]1n1ccnc1 ZINC000245574007 370842952 /nfs/dbraw/zinc/84/29/52/370842952.db2.gz AKXPWNODMFHLED-BZUAXINKSA-N 2 1 276.428 2.250 20 0 CEADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H]1n1ccnc1 ZINC000245574007 370842953 /nfs/dbraw/zinc/84/29/53/370842953.db2.gz AKXPWNODMFHLED-BZUAXINKSA-N 2 1 276.428 2.250 20 0 CEADMP CC[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC000245588192 370844852 /nfs/dbraw/zinc/84/48/52/370844852.db2.gz FJIBSSDTNLRIIX-HIFRSBDPSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC000245588192 370844855 /nfs/dbraw/zinc/84/48/55/370844855.db2.gz FJIBSSDTNLRIIX-HIFRSBDPSA-N 2 1 265.401 2.471 20 0 CEADMP CC(=O)c1ccccc1OCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163796556 367264712 /nfs/dbraw/zinc/26/47/12/367264712.db2.gz QLNRCEOCSZZGNY-ZFWWWQNUSA-N 2 1 290.407 2.185 20 0 CEADMP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163796556 367264714 /nfs/dbraw/zinc/26/47/14/367264714.db2.gz QLNRCEOCSZZGNY-ZFWWWQNUSA-N 2 1 290.407 2.185 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000163240436 367225974 /nfs/dbraw/zinc/22/59/74/367225974.db2.gz JFOZRQXBFSZDFL-RYUDHWBXSA-N 2 1 268.788 2.388 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000163278996 367228488 /nfs/dbraw/zinc/22/84/88/367228488.db2.gz GLAWBAMIMCIHIA-GDBMZVCRSA-N 2 1 287.411 2.361 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000163278996 367228490 /nfs/dbraw/zinc/22/84/90/367228490.db2.gz GLAWBAMIMCIHIA-GDBMZVCRSA-N 2 1 287.411 2.361 20 0 CEADMP COC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165344803 367307323 /nfs/dbraw/zinc/30/73/23/367307323.db2.gz SLTDNUVYRLBOOQ-NVXWUHKLSA-N 2 1 276.424 2.176 20 0 CEADMP CCCCOCCOCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000341944610 367380440 /nfs/dbraw/zinc/38/04/40/367380440.db2.gz BZPUZPZBJGRUNO-BZUAXINKSA-N 2 1 286.460 2.138 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000631564317 367403258 /nfs/dbraw/zinc/40/32/58/367403258.db2.gz JLONFJAICQDAFA-CABCVRRESA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631569468 367407291 /nfs/dbraw/zinc/40/72/91/367407291.db2.gz KALAZFXLWJPOBA-VGWMRTNUSA-N 2 1 278.440 2.266 20 0 CEADMP C1CC2(C1)[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)[C@@H]1CCO[C@@H]12 ZINC000631569923 367409233 /nfs/dbraw/zinc/40/92/33/367409233.db2.gz NVRBYADXCMKRCT-OWYFMNJBSA-N 2 1 276.424 2.160 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631669753 367474090 /nfs/dbraw/zinc/47/40/90/367474090.db2.gz NCSRVIAAUWKPTM-BGTYHANMSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631669753 367474095 /nfs/dbraw/zinc/47/40/95/367474095.db2.gz NCSRVIAAUWKPTM-BGTYHANMSA-N 2 1 288.435 2.258 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)CC[C@H]1CCCO1 ZINC000342604319 367447316 /nfs/dbraw/zinc/44/73/16/367447316.db2.gz XPTRILQXJZBFNT-OAHLLOKOSA-N 2 1 254.418 2.363 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)[C@H](C)C1 ZINC000342815432 367553328 /nfs/dbraw/zinc/55/33/28/367553328.db2.gz ZUDHBHWOQJNMBX-CJNGLKHVSA-N 2 1 286.423 2.425 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631826704 367564655 /nfs/dbraw/zinc/56/46/55/367564655.db2.gz VMSPXAPABMOTBL-JONQDZQNSA-N 2 1 266.429 2.123 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc3c1CCOC3)C2 ZINC000631830264 367569233 /nfs/dbraw/zinc/56/92/33/367569233.db2.gz NZUYNAAOZNMSBM-NVXWUHKLSA-N 2 1 272.392 2.073 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc3c1CCOC3)C2 ZINC000631830264 367569240 /nfs/dbraw/zinc/56/92/40/367569240.db2.gz NZUYNAAOZNMSBM-NVXWUHKLSA-N 2 1 272.392 2.073 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)C[C@H]1C[NH3+] ZINC000631840095 367580497 /nfs/dbraw/zinc/58/04/97/367580497.db2.gz PKBZBXCVMAWWFY-DGCLKSJQSA-N 2 1 273.355 2.401 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886698 367608276 /nfs/dbraw/zinc/60/82/76/367608276.db2.gz JJXFFPZWYUSIOW-NVXWUHKLSA-N 2 1 287.407 2.219 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886698 367608281 /nfs/dbraw/zinc/60/82/81/367608281.db2.gz JJXFFPZWYUSIOW-NVXWUHKLSA-N 2 1 287.407 2.219 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000335532979 212228775 /nfs/dbraw/zinc/22/87/75/212228775.db2.gz LBHFBSOCGYVZBK-OCCSQVGLSA-N 2 1 290.411 2.058 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890308 367612049 /nfs/dbraw/zinc/61/20/49/367612049.db2.gz OPYSBQYCOPZJMP-GDBMZVCRSA-N 2 1 260.381 2.269 20 0 CEADMP Cc1[nH+]c2ccccc2c(NCC[N@H+]2CCOC[C@H]2C)c1C ZINC000343431604 367811669 /nfs/dbraw/zinc/81/16/69/367811669.db2.gz GJGPLRUMONKFJT-CYBMUJFWSA-N 2 1 299.418 2.406 20 0 CEADMP Cc1[nH+]c2ccccc2c(NCC[N@@H+]2CCOC[C@H]2C)c1C ZINC000343431604 367811677 /nfs/dbraw/zinc/81/16/77/367811677.db2.gz GJGPLRUMONKFJT-CYBMUJFWSA-N 2 1 299.418 2.406 20 0 CEADMP C[C@H](C(=O)N(C)CC1CC[NH+](C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245840261 370878971 /nfs/dbraw/zinc/87/89/71/370878971.db2.gz ZAAJJNZUBJVXTM-QLFBSQMISA-N 2 1 295.471 2.048 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cncc(F)c1 ZINC000638976793 370881573 /nfs/dbraw/zinc/88/15/73/370881573.db2.gz LREJWRWCRLVMEW-LBPRGKRZSA-N 2 1 295.402 2.107 20 0 CEADMP COc1ccc(C)cc1CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358063247 370890936 /nfs/dbraw/zinc/89/09/36/370890936.db2.gz OEURVMVHJWMDPQ-HOCLYGCPSA-N 2 1 276.424 2.476 20 0 CEADMP COc1ccc(OC)c([C@H](C)N[C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000358055689 370887302 /nfs/dbraw/zinc/88/73/02/370887302.db2.gz CCRMKVGJUXJXOK-HUBLWGQQSA-N 2 1 278.396 2.305 20 0 CEADMP COc1ccc(OC)c([C@H](C)N[C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000358055689 370887308 /nfs/dbraw/zinc/88/73/08/370887308.db2.gz CCRMKVGJUXJXOK-HUBLWGQQSA-N 2 1 278.396 2.305 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000172781212 367817318 /nfs/dbraw/zinc/81/73/18/367817318.db2.gz ZABOPEMSZPUPRF-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000173364549 367902589 /nfs/dbraw/zinc/90/25/89/367902589.db2.gz HICCBFQHRBPLKT-CXAGYDPISA-N 2 1 289.423 2.465 20 0 CEADMP CC(=O)CC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000173973739 367966724 /nfs/dbraw/zinc/96/67/24/367966724.db2.gz YJLPGOLEBJCIME-KRWDZBQOSA-N 2 1 274.408 2.419 20 0 CEADMP CC[C@@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)[NH+](CC)CC ZINC000344526829 368127137 /nfs/dbraw/zinc/12/71/37/368127137.db2.gz HRVVSLIAIXQVLN-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCOC1CC(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000353286016 220008043 /nfs/dbraw/zinc/00/80/43/220008043.db2.gz CAQAJGKYBZHFKI-XSCHDIRWSA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@@H+](CCN[C@@H]1CC[NH+](CC)C[C@@H]1C)C(C)C ZINC000345160708 368176594 /nfs/dbraw/zinc/17/65/94/368176594.db2.gz PTVXJEFMMAQIDV-LSDHHAIUSA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+](CCN[C@@H]1CC[N@H+](CC)C[C@@H]1C)C(C)C ZINC000345160708 368176599 /nfs/dbraw/zinc/17/65/99/368176599.db2.gz PTVXJEFMMAQIDV-LSDHHAIUSA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+](CCN[C@@H]1CC[N@@H+](CC)C[C@@H]1C)C(C)C ZINC000345160708 368176608 /nfs/dbraw/zinc/17/66/08/368176608.db2.gz PTVXJEFMMAQIDV-LSDHHAIUSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000345331752 368238027 /nfs/dbraw/zinc/23/80/27/368238027.db2.gz YBPOPYWXUQMZBH-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCCN(CC[NH+](C)C)C(=O)CCn1cc[nH+]c1C(C)C ZINC000345282514 368220571 /nfs/dbraw/zinc/22/05/71/368220571.db2.gz ZZDSPBVUYITGCD-UHFFFAOYSA-N 2 1 294.443 2.197 20 0 CEADMP C[C@H](O)C[N@@H+](CC1CC[NH2+]CC1)C1CCCCC1 ZINC000178971841 368318404 /nfs/dbraw/zinc/31/84/04/368318404.db2.gz BONYDRBTUTWQMZ-ZDUSSCGKSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccoc1 ZINC000178071776 368286667 /nfs/dbraw/zinc/28/66/67/368286667.db2.gz OXVLFEKYNIMPHQ-UKRRQHHQSA-N 2 1 266.385 2.167 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC[NH+](C2CCCC2)CC1 ZINC000179249504 368329507 /nfs/dbraw/zinc/32/95/07/368329507.db2.gz YBCXEJIIIPBBMA-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP C[NH+]1CCC[C@H]1CCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000179249504 368329516 /nfs/dbraw/zinc/32/95/16/368329516.db2.gz YBCXEJIIIPBBMA-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP C[NH+]1CCC[C@H]1CCN1CCC[N@H+](C2CCCC2)CC1 ZINC000179249504 368329523 /nfs/dbraw/zinc/32/95/23/368329523.db2.gz YBCXEJIIIPBBMA-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP C[N@@H+](CCCCO)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179389030 368336505 /nfs/dbraw/zinc/33/65/05/368336505.db2.gz NYAAIWUTZJHWRU-UHFFFAOYSA-N 2 1 291.439 2.392 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCCO2)C[C@H]1C ZINC000346443638 368676636 /nfs/dbraw/zinc/67/66/36/368676636.db2.gz JTGZVIIPOCORJZ-ILXRZTDVSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CCCO2)C[C@H]1C ZINC000346443638 368676641 /nfs/dbraw/zinc/67/66/41/368676641.db2.gz JTGZVIIPOCORJZ-ILXRZTDVSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2CCCO2)C[C@H]1C ZINC000346443638 368676646 /nfs/dbraw/zinc/67/66/46/368676646.db2.gz JTGZVIIPOCORJZ-ILXRZTDVSA-N 2 1 254.418 2.360 20 0 CEADMP CO[C@@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)C1CCCCC1 ZINC000639049641 370926768 /nfs/dbraw/zinc/92/67/68/370926768.db2.gz WTEOURIMMXZRIV-INIZCTEOSA-N 2 1 298.471 2.018 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000346631890 368742497 /nfs/dbraw/zinc/74/24/97/368742497.db2.gz DBCZCBUCUSQWIE-GHMZBOCLSA-N 2 1 276.409 2.307 20 0 CEADMP OC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000358165515 370932810 /nfs/dbraw/zinc/93/28/10/370932810.db2.gz VXGLDXGIHKSEQZ-XHSDSOJGSA-N 2 1 278.371 2.076 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000185193185 368764134 /nfs/dbraw/zinc/76/41/34/368764134.db2.gz MTFPDDKJZZVVHQ-ZDUSSCGKSA-N 2 1 296.377 2.354 20 0 CEADMP CCOc1cccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000346686154 368768976 /nfs/dbraw/zinc/76/89/76/368768976.db2.gz SYPQFDOPZPOMTB-CQSZACIVSA-N 2 1 265.401 2.286 20 0 CEADMP CCOc1cccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000346686154 368768981 /nfs/dbraw/zinc/76/89/81/368768981.db2.gz SYPQFDOPZPOMTB-CQSZACIVSA-N 2 1 265.401 2.286 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000346685465 368769036 /nfs/dbraw/zinc/76/90/36/368769036.db2.gz SIVDOGPAYJETIQ-GXTWGEPZSA-N 2 1 270.380 2.246 20 0 CEADMP COc1c(C)cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1C ZINC000346688580 368771013 /nfs/dbraw/zinc/77/10/13/368771013.db2.gz XZFDRZPGUNRCKZ-HIFRSBDPSA-N 2 1 262.397 2.481 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000346691046 368772858 /nfs/dbraw/zinc/77/28/58/368772858.db2.gz UVLGGALDPNROST-YPMHNXCESA-N 2 1 284.350 2.500 20 0 CEADMP COC(=O)C[C@H]([NH2+]CCn1cc[nH+]c1C)C1CCCCC1 ZINC000347954509 368838055 /nfs/dbraw/zinc/83/80/55/368838055.db2.gz HLTLVDCGNPXEBT-HNNXBMFYSA-N 2 1 293.411 2.293 20 0 CEADMP C[C@@H]1C[C@@H](C)[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634647605 368794150 /nfs/dbraw/zinc/79/41/50/368794150.db2.gz BLIYNGAFHQYIKK-BFYDXBDKSA-N 2 1 274.408 2.106 20 0 CEADMP C[C@@H]1C[C@@H](C)[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634647605 368794154 /nfs/dbraw/zinc/79/41/54/368794154.db2.gz BLIYNGAFHQYIKK-BFYDXBDKSA-N 2 1 274.408 2.106 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+]1C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000634647606 368794268 /nfs/dbraw/zinc/79/42/68/368794268.db2.gz BLIYNGAFHQYIKK-HLLBOEOZSA-N 2 1 274.408 2.106 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634647606 368794271 /nfs/dbraw/zinc/79/42/71/368794271.db2.gz BLIYNGAFHQYIKK-HLLBOEOZSA-N 2 1 274.408 2.106 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634647606 368794276 /nfs/dbraw/zinc/79/42/76/368794276.db2.gz BLIYNGAFHQYIKK-HLLBOEOZSA-N 2 1 274.408 2.106 20 0 CEADMP C[C@@H]1C[C@H](C)[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634647606 368794281 /nfs/dbraw/zinc/79/42/81/368794281.db2.gz BLIYNGAFHQYIKK-HLLBOEOZSA-N 2 1 274.408 2.106 20 0 CEADMP C[C@@H]1C[C@H](C)[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634647606 368794285 /nfs/dbraw/zinc/79/42/85/368794285.db2.gz BLIYNGAFHQYIKK-HLLBOEOZSA-N 2 1 274.408 2.106 20 0 CEADMP OCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000347000848 368794336 /nfs/dbraw/zinc/79/43/36/368794336.db2.gz ZPVSAKNTCNSVIN-CRAIPNDOSA-N 2 1 288.435 2.358 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCCC[C@@H]3CC[NH3+])c2c1C ZINC000634809266 368898470 /nfs/dbraw/zinc/89/84/70/368898470.db2.gz NOCPOPMZMNYYIL-GFCCVEGCSA-N 2 1 273.384 2.282 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@](C)(CO)C1CCCCC1 ZINC000348212618 368952298 /nfs/dbraw/zinc/95/22/98/368952298.db2.gz SVZRMAMAEGNCIL-HZPDHXFCSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@H]([NH2+]CCc1cnn(C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000348360002 369016268 /nfs/dbraw/zinc/01/62/68/369016268.db2.gz BNPRHUKDRMRVQX-GOEBONIOSA-N 2 1 290.455 2.205 20 0 CEADMP C[C@H]([NH2+]CCc1cnn(C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000348360005 369016370 /nfs/dbraw/zinc/01/63/70/369016370.db2.gz BNPRHUKDRMRVQX-HOCLYGCPSA-N 2 1 290.455 2.205 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1nccs1 ZINC000186736861 369030924 /nfs/dbraw/zinc/03/09/24/369030924.db2.gz CKUUMULXRWXSDK-UTUOFQBUSA-N 2 1 253.415 2.319 20 0 CEADMP [NH3+][C@H](CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000635004365 369040320 /nfs/dbraw/zinc/04/03/20/369040320.db2.gz DVMUPCBCCYDQJG-KZNAEPCWSA-N 2 1 287.451 2.163 20 0 CEADMP [NH3+][C@H](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000635004365 369040324 /nfs/dbraw/zinc/04/03/24/369040324.db2.gz DVMUPCBCCYDQJG-KZNAEPCWSA-N 3 1 287.451 2.163 20 0 CEADMP [NH3+][C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000635004365 369040328 /nfs/dbraw/zinc/04/03/28/369040328.db2.gz DVMUPCBCCYDQJG-KZNAEPCWSA-N 3 1 287.451 2.163 20 0 CEADMP Cc1cc([C@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)no1 ZINC000635012411 369049865 /nfs/dbraw/zinc/04/98/65/369049865.db2.gz UNKARXNCPKYCAY-LBPRGKRZSA-N 2 1 271.364 2.480 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348458596 369051423 /nfs/dbraw/zinc/05/14/23/369051423.db2.gz QVKJUIPAYRMHLP-NEPJUHHUSA-N 2 1 273.327 2.332 20 0 CEADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCSCC1 ZINC000187205430 369121847 /nfs/dbraw/zinc/12/18/47/369121847.db2.gz IABGWTYASJVRTA-ZDUSSCGKSA-N 2 1 286.485 2.219 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](CO)C2)[C@@H](C)C1 ZINC000348639097 369108688 /nfs/dbraw/zinc/10/86/88/369108688.db2.gz GGMUNSMIRHWKNV-FZKCQIBNSA-N 2 1 268.445 2.105 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCc1cccc(F)c1 ZINC000348756339 369144171 /nfs/dbraw/zinc/14/41/71/369144171.db2.gz NNMISWHXKNRJHI-TZMCWYRMSA-N 2 1 250.361 2.427 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(OC(C)C)C1 ZINC000348839763 369176512 /nfs/dbraw/zinc/17/65/12/369176512.db2.gz XSSNHINLIAAJPV-SHARSMKWSA-N 2 1 254.418 2.406 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(OC(C)C)C1 ZINC000348839763 369176517 /nfs/dbraw/zinc/17/65/17/369176517.db2.gz XSSNHINLIAAJPV-SHARSMKWSA-N 2 1 254.418 2.406 20 0 CEADMP CN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000348901092 369194653 /nfs/dbraw/zinc/19/46/53/369194653.db2.gz OLTNMYXAYMXMBF-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+](CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)CC(C)(C)C ZINC000635538600 369209346 /nfs/dbraw/zinc/20/93/46/369209346.db2.gz KIWSJAJZNDZCES-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCCn1ccnc1CCC[N@@H+](C)[C@H]1CCCOC1 ZINC000683224870 541776893 /nfs/dbraw/zinc/77/68/93/541776893.db2.gz SFJQZTHNYYGQND-AWEZNQCLSA-N 2 1 265.401 2.337 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCCOC1 ZINC000683224870 541776896 /nfs/dbraw/zinc/77/68/96/541776896.db2.gz SFJQZTHNYYGQND-AWEZNQCLSA-N 2 1 265.401 2.337 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCCOC1 ZINC000683224870 541776899 /nfs/dbraw/zinc/77/68/99/541776899.db2.gz SFJQZTHNYYGQND-AWEZNQCLSA-N 2 1 265.401 2.337 20 0 CEADMP C[C@@H](N[C@H]1C[N@H+](C)C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000349428283 369325798 /nfs/dbraw/zinc/32/57/98/369325798.db2.gz YFCVTULIKPYDRC-JHNDHUHGSA-N 2 1 275.440 2.218 20 0 CEADMP C[C@@H](N[C@H]1C[N@@H+](C)C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000349428283 369325800 /nfs/dbraw/zinc/32/58/00/369325800.db2.gz YFCVTULIKPYDRC-JHNDHUHGSA-N 2 1 275.440 2.218 20 0 CEADMP C[N@H+]1CC=C(C[NH2+][C@H](c2ccccc2)c2cncnc2)CC1 ZINC000349784863 369399220 /nfs/dbraw/zinc/39/92/20/369399220.db2.gz SIGYAEKXRCVKHZ-GOSISDBHSA-N 2 1 294.402 2.418 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccccc2)c2cncnc2)CC1 ZINC000349784863 369399228 /nfs/dbraw/zinc/39/92/28/369399228.db2.gz SIGYAEKXRCVKHZ-GOSISDBHSA-N 2 1 294.402 2.418 20 0 CEADMP O[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000188839323 369418088 /nfs/dbraw/zinc/41/80/88/369418088.db2.gz XCLRBOYEOLQTAD-FUHWJXTLSA-N 2 1 288.435 2.402 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)CC[NH3+])cc1 ZINC000349957342 369463729 /nfs/dbraw/zinc/46/37/29/369463729.db2.gz DDKSLQWQWYLWSQ-AWEZNQCLSA-N 2 1 291.439 2.386 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc2c(s1)CCCC2 ZINC000358249622 370970881 /nfs/dbraw/zinc/97/08/81/370970881.db2.gz KOBUEIRILXMJQN-WBMJQRKESA-N 2 1 294.464 2.344 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc2c(s1)CCCC2 ZINC000358249622 370970887 /nfs/dbraw/zinc/97/08/87/370970887.db2.gz KOBUEIRILXMJQN-WBMJQRKESA-N 2 1 294.464 2.344 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000358253461 370974627 /nfs/dbraw/zinc/97/46/27/370974627.db2.gz PGYYPWLWXPACQJ-DVOMOZLQSA-N 2 1 288.439 2.215 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(F)cc(F)c1 ZINC000189292701 369490672 /nfs/dbraw/zinc/49/06/72/369490672.db2.gz PSMATHJSJZQSIS-UHFFFAOYSA-N 2 1 297.393 2.034 20 0 CEADMP C(C[NH+]1CCCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246490223 370967861 /nfs/dbraw/zinc/96/78/61/370967861.db2.gz HCKGXYDVRKSUJO-FUHWJXTLSA-N 2 1 291.483 2.421 20 0 CEADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358260633 370979082 /nfs/dbraw/zinc/97/90/82/370979082.db2.gz VKZINDIUDWMVAC-GOEBONIOSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000358260633 370979085 /nfs/dbraw/zinc/97/90/85/370979085.db2.gz VKZINDIUDWMVAC-GOEBONIOSA-N 2 1 262.397 2.021 20 0 CEADMP CCCc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358261815 370980165 /nfs/dbraw/zinc/98/01/65/370980165.db2.gz WPXBRPVMTWGEAU-PBHICJAKSA-N 2 1 276.424 2.356 20 0 CEADMP CCCc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358261815 370980169 /nfs/dbraw/zinc/98/01/69/370980169.db2.gz WPXBRPVMTWGEAU-PBHICJAKSA-N 2 1 276.424 2.356 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+](CC1CCCCC1)C1CC1)C1CC1 ZINC000351293828 369632963 /nfs/dbraw/zinc/63/29/63/369632963.db2.gz XZRVDZORESVXGN-QGZVFWFLSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+](CC1CCCCC1)C1CC1)C1CC1 ZINC000351293828 369632968 /nfs/dbraw/zinc/63/29/68/369632968.db2.gz XZRVDZORESVXGN-QGZVFWFLSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](CC1CCCCC1)C1CC1)C1CC1 ZINC000351293828 369632974 /nfs/dbraw/zinc/63/29/74/369632974.db2.gz XZRVDZORESVXGN-QGZVFWFLSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](CC1CCCCC1)C1CC1)C1CC1 ZINC000351293828 369632980 /nfs/dbraw/zinc/63/29/80/369632980.db2.gz XZRVDZORESVXGN-QGZVFWFLSA-N 2 1 280.456 2.486 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC000352015901 369658969 /nfs/dbraw/zinc/65/89/69/369658969.db2.gz SXCKGUBTXJZUBW-ZIAGYGMSSA-N 2 1 260.397 2.167 20 0 CEADMP COCCN(CC[C@H]1CCC[N@H+]1C)Cc1cccnc1 ZINC000191114853 369681053 /nfs/dbraw/zinc/68/10/53/369681053.db2.gz DKSLPMRSDHLSEX-MRXNPFEDSA-N 2 1 277.412 2.014 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)cn1 ZINC000192487883 369819278 /nfs/dbraw/zinc/81/92/78/369819278.db2.gz ZALFYRVZPNYIEF-WFASDCNBSA-N 2 1 286.379 2.090 20 0 CEADMP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000352732332 369859309 /nfs/dbraw/zinc/85/93/09/369859309.db2.gz ZCSIHGRYTOXODK-ZFWWWQNUSA-N 2 1 254.418 2.121 20 0 CEADMP O[C@H](C[NH2+]C/C=C\c1ccc(F)c(F)c1)C[NH+]1CCCC1 ZINC000352810456 369887714 /nfs/dbraw/zinc/88/77/14/369887714.db2.gz CDUNYYPKCAXIAV-VQTKUKTRSA-N 2 1 296.361 2.024 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000193437963 369941528 /nfs/dbraw/zinc/94/15/28/369941528.db2.gz NFJSVCFGYLMRFQ-QGZVFWFLSA-N 2 1 299.418 2.296 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353020972 369985417 /nfs/dbraw/zinc/98/54/17/369985417.db2.gz BZSBABBQAIKELR-GFCCVEGCSA-N 2 1 264.360 2.279 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353020972 369985420 /nfs/dbraw/zinc/98/54/20/369985420.db2.gz BZSBABBQAIKELR-GFCCVEGCSA-N 2 1 264.360 2.279 20 0 CEADMP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000353459909 370113475 /nfs/dbraw/zinc/11/34/75/370113475.db2.gz NDSOFZPJAWOYNY-JYJNAYRXSA-N 2 1 295.471 2.001 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1(C)C ZINC000353181232 370057804 /nfs/dbraw/zinc/05/78/04/370057804.db2.gz MGDYXSZSDUGHBM-ZIAGYGMSSA-N 2 1 263.385 2.051 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000353994894 370170423 /nfs/dbraw/zinc/17/04/23/370170423.db2.gz DNMALISJSNPRDV-ZBFHGGJFSA-N 2 1 291.439 2.485 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000353994894 370170428 /nfs/dbraw/zinc/17/04/28/370170428.db2.gz DNMALISJSNPRDV-ZBFHGGJFSA-N 2 1 291.439 2.485 20 0 CEADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353594622 370118059 /nfs/dbraw/zinc/11/80/59/370118059.db2.gz NIYYTGUUJORGEL-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@H]1C ZINC000353909433 370131284 /nfs/dbraw/zinc/13/12/84/370131284.db2.gz AUEIAZAPSWNIOW-KKUMJFAQSA-N 2 1 284.444 2.284 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)[C@H]1C ZINC000353919164 370136067 /nfs/dbraw/zinc/13/60/67/370136067.db2.gz WUSYCKNKAPQUDS-SOUVJXGZSA-N 2 1 296.455 2.428 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]1C ZINC000353924386 370138970 /nfs/dbraw/zinc/13/89/70/370138970.db2.gz BXOPBDVIUDWJGV-RBZJEDDUSA-N 2 1 294.439 2.181 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C)[NH+]1CCCC1 ZINC000353931803 370141464 /nfs/dbraw/zinc/14/14/64/370141464.db2.gz KKTHFKHFZVPJDE-CAOSSQGBSA-N 2 1 296.455 2.428 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000353943373 370146911 /nfs/dbraw/zinc/14/69/11/370146911.db2.gz IKOREXNGUOYEFN-KCQAQPDRSA-N 2 1 282.428 2.038 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(O)cc2)CC1 ZINC000211112165 370161158 /nfs/dbraw/zinc/16/11/58/370161158.db2.gz PCSQARZIJBYMKG-CYBMUJFWSA-N 2 1 262.397 2.397 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@H]1CCCCO1 ZINC000211933029 370164090 /nfs/dbraw/zinc/16/40/90/370164090.db2.gz AAVKJFQKARORIW-QGZVFWFLSA-N 2 1 274.408 2.333 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353987329 370164750 /nfs/dbraw/zinc/16/47/50/370164750.db2.gz OTOLRDUTPUGZSU-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353987329 370164756 /nfs/dbraw/zinc/16/47/56/370164756.db2.gz OTOLRDUTPUGZSU-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353987329 370164761 /nfs/dbraw/zinc/16/47/61/370164761.db2.gz OTOLRDUTPUGZSU-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1COCC[C@@H]1[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000354134427 370229277 /nfs/dbraw/zinc/22/92/77/370229277.db2.gz SIMLUAWKIPMQDS-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1COCC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000354134427 370229280 /nfs/dbraw/zinc/22/92/80/370229280.db2.gz SIMLUAWKIPMQDS-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)sn1 ZINC000638029227 370253674 /nfs/dbraw/zinc/25/36/74/370253674.db2.gz NTQHKGFNYIWSHB-UHFFFAOYSA-N 2 1 253.415 2.225 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@H]2C)C1 ZINC000354145573 370232799 /nfs/dbraw/zinc/23/27/99/370232799.db2.gz DOTIYWNOPTTZPJ-KLHDSHLOSA-N 2 1 296.455 2.286 20 0 CEADMP C[C@@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)C(C)(C)C[NH+](C)C ZINC000354064945 370201103 /nfs/dbraw/zinc/20/11/03/370201103.db2.gz KJVJJXIJXDUGLJ-CABCVRRESA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC000638122562 370319095 /nfs/dbraw/zinc/31/90/95/370319095.db2.gz KPDUDHGSWNNJJI-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000223555741 370267202 /nfs/dbraw/zinc/26/72/02/370267202.db2.gz ZGDKSKVEZLVTND-ZYHUDNBSSA-N 2 1 252.333 2.091 20 0 CEADMP COCCc1ncc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000638116582 370313941 /nfs/dbraw/zinc/31/39/41/370313941.db2.gz JMDRIICMZXJULO-QWHCGFSZSA-N 2 1 297.468 2.247 20 0 CEADMP CO[C@H](C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)C1CCOCC1 ZINC000638117881 370314441 /nfs/dbraw/zinc/31/44/41/370314441.db2.gz PKRXSEWZCBADAD-IAGOWNOFSA-N 2 1 298.471 2.234 20 0 CEADMP CO[C@H](C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)C1CCOCC1 ZINC000638117881 370314449 /nfs/dbraw/zinc/31/44/49/370314449.db2.gz PKRXSEWZCBADAD-IAGOWNOFSA-N 2 1 298.471 2.234 20 0 CEADMP CO[C@H](C[NH+](C)CC[C@H]1CCCC[N@H+]1C)C1CCOCC1 ZINC000638117881 370314455 /nfs/dbraw/zinc/31/44/55/370314455.db2.gz PKRXSEWZCBADAD-IAGOWNOFSA-N 2 1 298.471 2.234 20 0 CEADMP CO[C@H](C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)C1CCOCC1 ZINC000638117880 370315427 /nfs/dbraw/zinc/31/54/27/370315427.db2.gz PKRXSEWZCBADAD-DLBZAZTESA-N 2 1 298.471 2.234 20 0 CEADMP CO[C@H](C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)C1CCOCC1 ZINC000638117880 370315429 /nfs/dbraw/zinc/31/54/29/370315429.db2.gz PKRXSEWZCBADAD-DLBZAZTESA-N 2 1 298.471 2.234 20 0 CEADMP CO[C@H](C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)C1CCOCC1 ZINC000638117880 370315431 /nfs/dbraw/zinc/31/54/31/370315431.db2.gz PKRXSEWZCBADAD-DLBZAZTESA-N 2 1 298.471 2.234 20 0 CEADMP CC[C@](C)(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)OC ZINC000638181290 370361330 /nfs/dbraw/zinc/36/13/30/370361330.db2.gz YPELNLUNTUPTID-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCCC[C@H]1CC ZINC000354444657 370366172 /nfs/dbraw/zinc/36/61/72/370366172.db2.gz LBMCEKJFJXXIEP-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000354349457 370327634 /nfs/dbraw/zinc/32/76/34/370327634.db2.gz SNKCQUBUGZTMSG-ZQDZILKHSA-N 2 1 284.444 2.284 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(-c4ccco4)on3)C[C@H]21 ZINC000228477262 370403425 /nfs/dbraw/zinc/40/34/25/370403425.db2.gz SKXYMYLOJMKSGQ-IACUBPJLSA-N 2 1 287.363 2.494 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(-c4ccco4)on3)C[C@H]21 ZINC000228477262 370403431 /nfs/dbraw/zinc/40/34/31/370403431.db2.gz SKXYMYLOJMKSGQ-IACUBPJLSA-N 2 1 287.363 2.494 20 0 CEADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(OC)c1 ZINC000228534996 370404714 /nfs/dbraw/zinc/40/47/14/370404714.db2.gz BVEACBZUTNMWKH-IAOVAPTHSA-N 2 1 290.407 2.263 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228537508 370407112 /nfs/dbraw/zinc/40/71/12/370407112.db2.gz SGVGZSRPXSZGSG-APHBMKBZSA-N 2 1 290.407 2.263 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)ccn1 ZINC000638369114 370477675 /nfs/dbraw/zinc/47/76/75/370477675.db2.gz PNVJLHKSECJDGI-NUEKZKHPSA-N 2 1 289.423 2.238 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccn1 ZINC000638369114 370477680 /nfs/dbraw/zinc/47/76/80/370477680.db2.gz PNVJLHKSECJDGI-NUEKZKHPSA-N 2 1 289.423 2.238 20 0 CEADMP CO[C@@](C)(C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C1CC1 ZINC000638336087 370453362 /nfs/dbraw/zinc/45/33/62/370453362.db2.gz XZLPAKFRSWFJJZ-DOMZBBRYSA-N 2 1 265.401 2.232 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H](C)C[C@H]1CCCC(=O)N1)[NH+]1CCCC1 ZINC000638353351 370463474 /nfs/dbraw/zinc/46/34/74/370463474.db2.gz RPRXWXKOPFNYIS-BZUAXINKSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H](C[NH2+]CCC[C@@H]1CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638362715 370470958 /nfs/dbraw/zinc/47/09/58/370470958.db2.gz CSJDKOWFENHAFZ-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](C[NH2+]CCC[C@@H]1CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000638362715 370470963 /nfs/dbraw/zinc/47/09/63/370470963.db2.gz CSJDKOWFENHAFZ-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)C1CCCCC1 ZINC000354721586 370479136 /nfs/dbraw/zinc/47/91/36/370479136.db2.gz BHCLCROWWALIRI-INIZCTEOSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)C1CCCCC1 ZINC000354721586 370479143 /nfs/dbraw/zinc/47/91/43/370479143.db2.gz BHCLCROWWALIRI-INIZCTEOSA-N 2 1 279.428 2.455 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCC1 ZINC000355135373 370517465 /nfs/dbraw/zinc/51/74/65/370517465.db2.gz QLQBOOVXQFNLHR-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCC1 ZINC000355135373 370517471 /nfs/dbraw/zinc/51/74/71/370517471.db2.gz QLQBOOVXQFNLHR-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CO[C@H](C[NH2+]CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000638384858 370489842 /nfs/dbraw/zinc/48/98/42/370489842.db2.gz CRENBRRWYDHXQR-KRWDZBQOSA-N 2 1 287.407 2.429 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4c[nH]nc43)CC[C@H]21 ZINC000355236273 370548497 /nfs/dbraw/zinc/54/84/97/370548497.db2.gz KBMSVDLJXUQHKU-GOEBONIOSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4c[nH]nc43)CC[C@H]21 ZINC000355236273 370548501 /nfs/dbraw/zinc/54/85/01/370548501.db2.gz KBMSVDLJXUQHKU-GOEBONIOSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4c[nH]nc43)CC[C@H]21 ZINC000355236273 370548505 /nfs/dbraw/zinc/54/85/05/370548505.db2.gz KBMSVDLJXUQHKU-GOEBONIOSA-N 2 1 284.407 2.479 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CCc2[nH+]ccn2C1)Cc1ccccc1 ZINC000638495045 370571497 /nfs/dbraw/zinc/57/14/97/370571497.db2.gz DWBMQVGDWGYFQA-CVEARBPZSA-N 2 1 285.391 2.045 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236803253 370631281 /nfs/dbraw/zinc/63/12/81/370631281.db2.gz FTUGSALJKWNIBS-ZBFHGGJFSA-N 2 1 291.439 2.141 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000638618465 370638709 /nfs/dbraw/zinc/63/87/09/370638709.db2.gz HWPAIUGLYNSALA-TWMKSMIVSA-N 2 1 280.456 2.249 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)OC ZINC000639122913 371000730 /nfs/dbraw/zinc/00/07/30/371000730.db2.gz UOQATPUUAIILLB-ARFHVFGLSA-N 2 1 286.460 2.138 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC000247011135 371046700 /nfs/dbraw/zinc/04/67/00/371046700.db2.gz MFEPQQFPBQHDDY-DZGCQCFKSA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@@H+](CCC[C@@H]1CCO1)CCC[NH+]1CCCC1 ZINC000639174978 371049006 /nfs/dbraw/zinc/04/90/06/371049006.db2.gz DWNULASZKSHIFV-OAHLLOKOSA-N 2 1 254.418 2.363 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000639165711 371039459 /nfs/dbraw/zinc/03/94/59/371039459.db2.gz QQCBSUCJGCXELF-HOCLYGCPSA-N 2 1 291.439 2.485 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000639165711 371039466 /nfs/dbraw/zinc/03/94/66/371039466.db2.gz QQCBSUCJGCXELF-HOCLYGCPSA-N 2 1 291.439 2.485 20 0 CEADMP CO[C@](C)(C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000639170297 371042282 /nfs/dbraw/zinc/04/22/82/371042282.db2.gz SEULEHZRUXKXLD-DZGCQCFKSA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCNc2cccc(C)n2)[C@@H](C)C1 ZINC000358386836 371043945 /nfs/dbraw/zinc/04/39/45/371043945.db2.gz TWOSKZQVNNBCSW-DZGCQCFKSA-N 2 1 276.428 2.122 20 0 CEADMP COc1cncc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1C ZINC000639180817 371060581 /nfs/dbraw/zinc/06/05/81/371060581.db2.gz ZDYFJWDERPFUKC-GDBMZVCRSA-N 2 1 289.423 2.315 20 0 CEADMP CCOC1CC(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000639180860 371062805 /nfs/dbraw/zinc/06/28/05/371062805.db2.gz ZWUDASYEOQNACI-KNIAUWFNSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC1CC(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000639180860 371062810 /nfs/dbraw/zinc/06/28/10/371062810.db2.gz ZWUDASYEOQNACI-KNIAUWFNSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC1CC(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000639180860 371062814 /nfs/dbraw/zinc/06/28/14/371062814.db2.gz ZWUDASYEOQNACI-KNIAUWFNSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000247124642 371068361 /nfs/dbraw/zinc/06/83/61/371068361.db2.gz RJPGLWJSENSOBK-QXSJWSMHSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247124642 371068365 /nfs/dbraw/zinc/06/83/65/371068365.db2.gz RJPGLWJSENSOBK-QXSJWSMHSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247124642 371068367 /nfs/dbraw/zinc/06/83/67/371068367.db2.gz RJPGLWJSENSOBK-QXSJWSMHSA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639189798 371070532 /nfs/dbraw/zinc/07/05/32/371070532.db2.gz QZAZMPPUYLKSMC-SOUVJXGZSA-N 2 1 283.460 2.144 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639189798 371070535 /nfs/dbraw/zinc/07/05/35/371070535.db2.gz QZAZMPPUYLKSMC-SOUVJXGZSA-N 2 1 283.460 2.144 20 0 CEADMP CC1=CC[N@@H+](CCNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000358463919 371077713 /nfs/dbraw/zinc/07/77/13/371077713.db2.gz IRIFZCLPIQITNZ-OAGGEKHMSA-N 2 1 293.455 2.016 20 0 CEADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCCCC1 ZINC000247329016 371093750 /nfs/dbraw/zinc/09/37/50/371093750.db2.gz INTVSIKGVODNGB-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP Fc1cccc(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358502936 371094359 /nfs/dbraw/zinc/09/43/59/371094359.db2.gz CZOXHSJJFUPDCS-UHFFFAOYSA-N 2 1 278.371 2.280 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3ccccn3)CC[C@H]21 ZINC000248071278 371158819 /nfs/dbraw/zinc/15/88/19/371158819.db2.gz MOXOHHKCEOIGDL-GOEBONIOSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3ccccn3)CC[C@H]21 ZINC000248071278 371158824 /nfs/dbraw/zinc/15/88/24/371158824.db2.gz MOXOHHKCEOIGDL-GOEBONIOSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccccn3)CC[C@H]21 ZINC000248071278 371158828 /nfs/dbraw/zinc/15/88/28/371158828.db2.gz MOXOHHKCEOIGDL-GOEBONIOSA-N 2 1 259.397 2.040 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)OC ZINC000639257573 371158145 /nfs/dbraw/zinc/15/81/45/371158145.db2.gz PGIWFFBLTFSQMP-SOUVJXGZSA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248155871 371165798 /nfs/dbraw/zinc/16/57/98/371165798.db2.gz RJBFJXZHENTSPG-KFWWJZLASA-N 2 1 256.434 2.246 20 0 CEADMP Oc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000683722348 541848475 /nfs/dbraw/zinc/84/84/75/541848475.db2.gz FSTVGUGCURIENL-ULQDDVLXSA-N 2 1 286.419 2.466 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248405897 371186854 /nfs/dbraw/zinc/18/68/54/371186854.db2.gz BIODGFUALKTRFA-BRSBDYLESA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](C)[C@@H]3C)COC2)[C@H]1C ZINC000248407736 371189018 /nfs/dbraw/zinc/18/90/18/371189018.db2.gz BTZXGWIHWKFMPU-FZKCQIBNSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](C)[C@@H]3C)COC2)[C@H]1C ZINC000248407736 371189019 /nfs/dbraw/zinc/18/90/19/371189019.db2.gz BTZXGWIHWKFMPU-FZKCQIBNSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](C)[C@@H]3C)COC2)[C@H]1C ZINC000248407736 371189021 /nfs/dbraw/zinc/18/90/21/371189021.db2.gz BTZXGWIHWKFMPU-FZKCQIBNSA-N 2 1 280.456 2.464 20 0 CEADMP CC(C)[C@H](C(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000358743560 371201212 /nfs/dbraw/zinc/20/12/12/371201212.db2.gz VOBNWQLYPMYSEM-BZUAXINKSA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](CCO)CC1)CC(C)C ZINC000358736710 371198519 /nfs/dbraw/zinc/19/85/19/371198519.db2.gz MCDVBRYXLQMWNB-UHFFFAOYSA-N 2 1 256.434 2.059 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000248818489 371250250 /nfs/dbraw/zinc/25/02/50/371250250.db2.gz BAFSLKNVUIUYGI-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000358922833 371268516 /nfs/dbraw/zinc/26/85/16/371268516.db2.gz CBCMVKGQBDZPNH-DZGCQCFKSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000358922833 371268522 /nfs/dbraw/zinc/26/85/22/371268522.db2.gz CBCMVKGQBDZPNH-DZGCQCFKSA-N 2 1 276.428 2.119 20 0 CEADMP C[N@H+]1CCC[C@H]2CN(CCC[NH+]3CCCCC3)CC[C@H]21 ZINC000249462944 371323534 /nfs/dbraw/zinc/32/35/34/371323534.db2.gz RGXBLHIZWPTVLO-DLBZAZTESA-N 2 1 279.472 2.279 20 0 CEADMP COCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359100267 371336802 /nfs/dbraw/zinc/33/68/02/371336802.db2.gz ANJGCPWXQLKYOO-HOCLYGCPSA-N 2 1 262.397 2.276 20 0 CEADMP COCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359100267 371336807 /nfs/dbraw/zinc/33/68/07/371336807.db2.gz ANJGCPWXQLKYOO-HOCLYGCPSA-N 2 1 262.397 2.276 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CC(C)(C)CO1)CC2 ZINC000639558828 371406779 /nfs/dbraw/zinc/40/67/79/371406779.db2.gz LBRIYALAPDNLKU-AWEZNQCLSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CC(C)(C)CO1)CC2 ZINC000639558828 371406780 /nfs/dbraw/zinc/40/67/80/371406780.db2.gz LBRIYALAPDNLKU-AWEZNQCLSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639506981 371369837 /nfs/dbraw/zinc/36/98/37/371369837.db2.gz FVXLKKANJNUUOA-HZPDHXFCSA-N 2 1 280.456 2.465 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639506981 371369841 /nfs/dbraw/zinc/36/98/41/371369841.db2.gz FVXLKKANJNUUOA-HZPDHXFCSA-N 2 1 280.456 2.465 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639506981 371369846 /nfs/dbraw/zinc/36/98/46/371369846.db2.gz FVXLKKANJNUUOA-HZPDHXFCSA-N 2 1 280.456 2.465 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1OCO2 ZINC000250216505 371380177 /nfs/dbraw/zinc/38/01/77/371380177.db2.gz PGLXYMSTQVDNMK-KBPBESRZSA-N 2 1 274.364 2.132 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1OCO2 ZINC000250216505 371380181 /nfs/dbraw/zinc/38/01/81/371380181.db2.gz PGLXYMSTQVDNMK-KBPBESRZSA-N 2 1 274.364 2.132 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)O1 ZINC000639682906 371492038 /nfs/dbraw/zinc/49/20/38/371492038.db2.gz DFKCALUFTIFTPG-GDBMZVCRSA-N 2 1 275.396 2.161 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000251892648 371422548 /nfs/dbraw/zinc/42/25/48/371422548.db2.gz VRXXSDHYXWAYLZ-BXUZGUMPSA-N 2 1 268.788 2.388 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC000359433744 371461969 /nfs/dbraw/zinc/46/19/69/371461969.db2.gz WHRANGOZCYPBIK-LYYZXLFJSA-N 2 1 296.455 2.427 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC000359433744 371461975 /nfs/dbraw/zinc/46/19/75/371461975.db2.gz WHRANGOZCYPBIK-LYYZXLFJSA-N 2 1 296.455 2.427 20 0 CEADMP CN(CCC[N@@H+](C)Cc1cc[nH]c(=O)c1)Cc1ccco1 ZINC000639643975 371462500 /nfs/dbraw/zinc/46/25/00/371462500.db2.gz LGHSMOONMXSPQW-UHFFFAOYSA-N 2 1 289.379 2.334 20 0 CEADMP Cc1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000252668661 371465522 /nfs/dbraw/zinc/46/55/22/371465522.db2.gz ZCCUUHFYXIKHJX-QWHCGFSZSA-N 2 1 266.410 2.009 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000359517711 371466756 /nfs/dbraw/zinc/46/67/56/371466756.db2.gz OSGVWDXLPLVDFL-OCCSQVGLSA-N 2 1 267.461 2.225 20 0 CEADMP CCN1C[C@@H](C)[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000359517711 371466758 /nfs/dbraw/zinc/46/67/58/371466758.db2.gz OSGVWDXLPLVDFL-OCCSQVGLSA-N 2 1 267.461 2.225 20 0 CEADMP CCOc1ccc(OCC[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000252699374 371469431 /nfs/dbraw/zinc/46/94/31/371469431.db2.gz SWTADNHBPVGLFY-KGLIPLIRSA-N 2 1 278.396 2.133 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639682697 371491918 /nfs/dbraw/zinc/49/19/18/371491918.db2.gz JTRKSGYFIOVTRS-UHFFFAOYSA-N 2 1 299.422 2.107 20 0 CEADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000253193867 371501406 /nfs/dbraw/zinc/50/14/06/371501406.db2.gz PDRBPSUWKRRSKD-QWHCGFSZSA-N 2 1 293.386 2.071 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639703676 371507527 /nfs/dbraw/zinc/50/75/27/371507527.db2.gz KSLQKACQENYBLC-UHFFFAOYSA-N 2 1 299.422 2.189 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639703676 371507534 /nfs/dbraw/zinc/50/75/34/371507534.db2.gz KSLQKACQENYBLC-UHFFFAOYSA-N 3 1 299.422 2.189 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639703676 371507539 /nfs/dbraw/zinc/50/75/39/371507539.db2.gz KSLQKACQENYBLC-UHFFFAOYSA-N 3 1 299.422 2.189 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cncc(F)c3)C2)CC1 ZINC000639754523 371544435 /nfs/dbraw/zinc/54/44/35/371544435.db2.gz BOUXLNOVQXVJIT-UHFFFAOYSA-N 2 1 263.360 2.138 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)CC1 ZINC000639760394 371547767 /nfs/dbraw/zinc/54/77/67/371547767.db2.gz WRKTVVFPIQHQGJ-MRXNPFEDSA-N 3 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC2(CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000639760394 371547777 /nfs/dbraw/zinc/54/77/77/371547777.db2.gz WRKTVVFPIQHQGJ-MRXNPFEDSA-N 3 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC2(CC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC000639760394 371547784 /nfs/dbraw/zinc/54/77/84/371547784.db2.gz WRKTVVFPIQHQGJ-MRXNPFEDSA-N 3 1 279.472 2.279 20 0 CEADMP CN1CCCC[C@@H]1CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760394 371547791 /nfs/dbraw/zinc/54/77/91/371547791.db2.gz WRKTVVFPIQHQGJ-MRXNPFEDSA-N 2 1 279.472 2.279 20 0 CEADMP CN1CCCC[C@@H]1CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760394 371547797 /nfs/dbraw/zinc/54/77/97/371547797.db2.gz WRKTVVFPIQHQGJ-MRXNPFEDSA-N 2 1 279.472 2.279 20 0 CEADMP CC(C)c1noc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639764016 371550726 /nfs/dbraw/zinc/55/07/26/371550726.db2.gz SDMRKBYIVOEECR-UHFFFAOYSA-N 2 1 278.400 2.111 20 0 CEADMP CC(C)c1noc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639764016 371550731 /nfs/dbraw/zinc/55/07/31/371550731.db2.gz SDMRKBYIVOEECR-UHFFFAOYSA-N 2 1 278.400 2.111 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764614 371553167 /nfs/dbraw/zinc/55/31/67/371553167.db2.gz VWXGMUGPLFPOCO-ZBFHGGJFSA-N 2 1 262.397 2.136 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764614 371553172 /nfs/dbraw/zinc/55/31/72/371553172.db2.gz VWXGMUGPLFPOCO-ZBFHGGJFSA-N 2 1 262.397 2.136 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000639765083 371553485 /nfs/dbraw/zinc/55/34/85/371553485.db2.gz ZGQIBOPBXJGXOW-INIZCTEOSA-N 2 1 296.842 2.271 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000639765083 371553494 /nfs/dbraw/zinc/55/34/94/371553494.db2.gz ZGQIBOPBXJGXOW-INIZCTEOSA-N 2 1 296.842 2.271 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(F)(F)F ZINC000359976653 371495569 /nfs/dbraw/zinc/49/55/69/371495569.db2.gz PEIWYXUWZFZPQJ-GMTAPVOTSA-N 2 1 250.308 2.401 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360965382 371567095 /nfs/dbraw/zinc/56/70/95/371567095.db2.gz FZUUTYFEZDBTKN-NSHDSACASA-N 2 1 286.370 2.179 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360965382 371567098 /nfs/dbraw/zinc/56/70/98/371567098.db2.gz FZUUTYFEZDBTKN-NSHDSACASA-N 2 1 286.370 2.179 20 0 CEADMP C[N@H+](CCCO)C1CC[NH+](CCCc2ccsc2)CC1 ZINC000360971158 371572404 /nfs/dbraw/zinc/57/24/04/371572404.db2.gz ZOZDINVKCFRONM-UHFFFAOYSA-N 2 1 296.480 2.459 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](CCCc2ccsc2)CC1 ZINC000360971158 371572408 /nfs/dbraw/zinc/57/24/08/371572408.db2.gz ZOZDINVKCFRONM-UHFFFAOYSA-N 2 1 296.480 2.459 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2c3c(nn2C)CCCC3)[C@H](C)C1 ZINC000361005307 371592608 /nfs/dbraw/zinc/59/26/08/371592608.db2.gz URQSLZRSIBHYLJ-UKRRQHHQSA-N 2 1 290.455 2.119 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c3c(nn2C)CCCC3)[C@H](C)C1 ZINC000361005307 371592612 /nfs/dbraw/zinc/59/26/12/371592612.db2.gz URQSLZRSIBHYLJ-UKRRQHHQSA-N 2 1 290.455 2.119 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c3c(nn2C)CCCC3)[C@H](C)C1 ZINC000361005307 371592618 /nfs/dbraw/zinc/59/26/18/371592618.db2.gz URQSLZRSIBHYLJ-UKRRQHHQSA-N 2 1 290.455 2.119 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000361005770 371594527 /nfs/dbraw/zinc/59/45/27/371594527.db2.gz XHYDZOHNLHRWRP-IOASZLSFSA-N 2 1 290.455 2.117 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000361005770 371594532 /nfs/dbraw/zinc/59/45/32/371594532.db2.gz XHYDZOHNLHRWRP-IOASZLSFSA-N 2 1 290.455 2.117 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261604109 371673302 /nfs/dbraw/zinc/67/33/02/371673302.db2.gz ATCAWVJMJXTBAB-INIZCTEOSA-N 2 1 293.386 2.133 20 0 CEADMP C[C@@H](NC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261541742 371639618 /nfs/dbraw/zinc/63/96/18/371639618.db2.gz GEKJRWDWEXRRQV-NVXWUHKLSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261541742 371639619 /nfs/dbraw/zinc/63/96/19/371639619.db2.gz GEKJRWDWEXRRQV-NVXWUHKLSA-N 3 1 287.451 2.239 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261541742 371639620 /nfs/dbraw/zinc/63/96/20/371639620.db2.gz GEKJRWDWEXRRQV-NVXWUHKLSA-N 3 1 287.451 2.239 20 0 CEADMP CN(C[C@]1(C)CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261547068 371641656 /nfs/dbraw/zinc/64/16/56/371641656.db2.gz LSIIXEFFHWJJEN-ZWKOTPCHSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000261559510 371647655 /nfs/dbraw/zinc/64/76/55/371647655.db2.gz UDEBSPJYWSDRGL-IUODEOHRSA-N 2 1 255.365 2.404 20 0 CEADMP CC[N@H+](C[C@@H]1COc2ccccc2O1)C[C@@]1(C)CC[NH2+]C1 ZINC000261703804 371707648 /nfs/dbraw/zinc/70/76/48/371707648.db2.gz CVZKKKXMVAVQHY-PBHICJAKSA-N 2 1 290.407 2.148 20 0 CEADMP CC[N@@H+](C[C@@H]1COc2ccccc2O1)C[C@@]1(C)CC[NH2+]C1 ZINC000261703804 371707654 /nfs/dbraw/zinc/70/76/54/371707654.db2.gz CVZKKKXMVAVQHY-PBHICJAKSA-N 2 1 290.407 2.148 20 0 CEADMP COc1cc2c(c(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)c1)O[C@H](C)C2 ZINC000261743237 371714994 /nfs/dbraw/zinc/71/49/94/371714994.db2.gz KQCOIXQZVADQDC-PXAZEXFGSA-N 2 1 290.407 2.189 20 0 CEADMP COc1cc2c(c(C[N@H+]3CC[C@@](C)(C[NH3+])C3)c1)O[C@H](C)C2 ZINC000261743237 371715001 /nfs/dbraw/zinc/71/50/01/371715001.db2.gz KQCOIXQZVADQDC-PXAZEXFGSA-N 2 1 290.407 2.189 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000261758905 371722341 /nfs/dbraw/zinc/72/23/41/371722341.db2.gz CVUZEGIEIWZTST-NEPJUHHUSA-N 2 1 290.436 2.318 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000261772492 371726587 /nfs/dbraw/zinc/72/65/87/371726587.db2.gz MKZSQMACBFDPLI-OAHLLOKOSA-N 2 1 288.420 2.376 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000261772492 371726595 /nfs/dbraw/zinc/72/65/95/371726595.db2.gz MKZSQMACBFDPLI-OAHLLOKOSA-N 2 1 288.420 2.376 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261639536 371687241 /nfs/dbraw/zinc/68/72/41/371687241.db2.gz CDWWFUFKHZMAPG-HNNXBMFYSA-N 2 1 283.460 2.132 20 0 CEADMP COCC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CC[C@H](C)C1 ZINC000261930747 371775467 /nfs/dbraw/zinc/77/54/67/371775467.db2.gz LOHJTMOVWPEXSA-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)[NH+](CCC[N@H+](C(C)C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000361408727 371832871 /nfs/dbraw/zinc/83/28/71/371832871.db2.gz QBYCBPODVHMBPP-IRXDYDNUSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccnn1-c1ccccc1 ZINC000262011076 371799678 /nfs/dbraw/zinc/79/96/78/371799678.db2.gz VCURIQPPTBRPQW-KBPBESRZSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccnn1-c1ccccc1 ZINC000262011076 371799682 /nfs/dbraw/zinc/79/96/82/371799682.db2.gz VCURIQPPTBRPQW-KBPBESRZSA-N 2 1 270.380 2.041 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000640098614 371810376 /nfs/dbraw/zinc/81/03/76/371810376.db2.gz FOXMRECLXIBKIW-OAGGEKHMSA-N 2 1 268.445 2.344 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CCC1 ZINC000262087989 371821338 /nfs/dbraw/zinc/82/13/38/371821338.db2.gz GNZQCHURMPDMMB-MRXNPFEDSA-N 2 1 290.407 2.215 20 0 CEADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000361491808 371874480 /nfs/dbraw/zinc/87/44/80/371874480.db2.gz AMIXBDLZACSRLK-XUWVNRHRSA-N 2 1 295.471 2.142 20 0 CEADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000361491808 371874485 /nfs/dbraw/zinc/87/44/85/371874485.db2.gz AMIXBDLZACSRLK-XUWVNRHRSA-N 2 1 295.471 2.142 20 0 CEADMP C[C@H](CNC(=O)CCC1CC[NH2+]CC1)[N@H+]1CCCC[C@@H]1C ZINC000262737807 371904765 /nfs/dbraw/zinc/90/47/65/371904765.db2.gz CJAMYFUZWKMKAG-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP COC1(C[N@@H+](C)CC2CC[NH+](C)CC2)CCCC1 ZINC000361556730 371919716 /nfs/dbraw/zinc/91/97/16/371919716.db2.gz KHEBWUAVFYVXAP-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263201398 371930951 /nfs/dbraw/zinc/93/09/51/371930951.db2.gz JBUCZXFVYXUBMY-ZOBUZTSGSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000361611147 371976278 /nfs/dbraw/zinc/97/62/78/371976278.db2.gz QFCUPBNURDCOAI-OAHLLOKOSA-N 2 1 295.471 2.276 20 0 CEADMP Cc1ncc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)n1 ZINC000361767162 372061342 /nfs/dbraw/zinc/06/13/42/372061342.db2.gz VPATWEPPYVFUCX-OSMZGAPFSA-N 2 1 262.401 2.227 20 0 CEADMP Cc1ncc([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)c(C)n1 ZINC000361767162 372061347 /nfs/dbraw/zinc/06/13/47/372061347.db2.gz VPATWEPPYVFUCX-OSMZGAPFSA-N 2 1 262.401 2.227 20 0 CEADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000361731059 372044008 /nfs/dbraw/zinc/04/40/08/372044008.db2.gz DXBLINHSUIWTSE-RBSFLKMASA-N 2 1 292.423 2.392 20 0 CEADMP CCO[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000361806317 372079827 /nfs/dbraw/zinc/07/98/27/372079827.db2.gz ZJBVXEHYNNYGTH-RBSFLKMASA-N 2 1 256.434 2.367 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)c1 ZINC000344208305 217099535 /nfs/dbraw/zinc/09/95/35/217099535.db2.gz GMRCSOCFSDSNMY-WMLDXEAASA-N 2 1 275.440 2.178 20 0 CEADMP c1cn2c(cccc2CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000362039162 372181072 /nfs/dbraw/zinc/18/10/72/372181072.db2.gz MTVIBMWIKHANPS-OIISXLGYSA-N 2 1 296.418 2.250 20 0 CEADMP CCn1cc([C@H](C)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cn1 ZINC000361979347 372156305 /nfs/dbraw/zinc/15/63/05/372156305.db2.gz AGQGNFYAKDTSES-SLEUVZQESA-N 2 1 262.401 2.036 20 0 CEADMP CCn1cc([C@H](C)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cn1 ZINC000361979347 372156312 /nfs/dbraw/zinc/15/63/12/372156312.db2.gz AGQGNFYAKDTSES-SLEUVZQESA-N 2 1 262.401 2.036 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2ccccc2Cn2ccnc2)CC1 ZINC000268781673 372219752 /nfs/dbraw/zinc/21/97/52/372219752.db2.gz UFAHXZBSXJKWFN-UHFFFAOYSA-N 2 1 284.407 2.115 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000268791885 372225185 /nfs/dbraw/zinc/22/51/85/372225185.db2.gz GVCUDWGRPXQSJX-LBPRGKRZSA-N 2 1 271.364 2.477 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2cn3ccc(C)cc3n2)[C@@H](C)C1 ZINC000268824456 372241253 /nfs/dbraw/zinc/24/12/53/372241253.db2.gz AWBBCIAZKCSIJL-HOCLYGCPSA-N 2 1 286.423 2.463 20 0 CEADMP C[C@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268930433 372290827 /nfs/dbraw/zinc/29/08/27/372290827.db2.gz ZKBFLBABBHRUSI-VYDXJSESSA-N 2 1 276.424 2.258 20 0 CEADMP CCC(C)(C)CCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641049260 372255457 /nfs/dbraw/zinc/25/54/57/372255457.db2.gz HMRRSKGLGGBBGB-UHFFFAOYSA-N 2 1 293.459 2.070 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCC[C@@H]2C)C[C@H]1C ZINC000362182160 372260806 /nfs/dbraw/zinc/26/08/06/372260806.db2.gz BSVPPQDHAHWGQC-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N2CCC[C@@H]2C)C[C@H]1C ZINC000362182160 372260811 /nfs/dbraw/zinc/26/08/11/372260811.db2.gz BSVPPQDHAHWGQC-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N2CCC[C@@H]2C)C[C@H]1C ZINC000362182160 372260818 /nfs/dbraw/zinc/26/08/18/372260818.db2.gz BSVPPQDHAHWGQC-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)N2CCC[C@@H]2C)CC1 ZINC000362189318 372264246 /nfs/dbraw/zinc/26/42/46/372264246.db2.gz WIFWYEXWBJUMJI-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000362219595 372273845 /nfs/dbraw/zinc/27/38/45/372273845.db2.gz OCSCCWGVGUKBNL-CQSZACIVSA-N 2 1 285.395 2.106 20 0 CEADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268916401 372285897 /nfs/dbraw/zinc/28/58/97/372285897.db2.gz VBBSBODXCNYQFY-HLLBOEOZSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268916401 372285901 /nfs/dbraw/zinc/28/59/01/372285901.db2.gz VBBSBODXCNYQFY-HLLBOEOZSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@H](O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268916404 372286186 /nfs/dbraw/zinc/28/61/86/372286186.db2.gz VBBSBODXCNYQFY-ZOBUZTSGSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268916404 372286188 /nfs/dbraw/zinc/28/61/88/372286188.db2.gz VBBSBODXCNYQFY-ZOBUZTSGSA-N 2 1 276.424 2.400 20 0 CEADMP Cc1cccnc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000362338722 372320279 /nfs/dbraw/zinc/32/02/79/372320279.db2.gz CIPVCJCXMOXVIX-INMHGKMJSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cccnc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000362338722 372320285 /nfs/dbraw/zinc/32/02/85/372320285.db2.gz CIPVCJCXMOXVIX-INMHGKMJSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cccnc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000362338722 372320291 /nfs/dbraw/zinc/32/02/91/372320291.db2.gz CIPVCJCXMOXVIX-INMHGKMJSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cccnc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000362338722 372320293 /nfs/dbraw/zinc/32/02/93/372320293.db2.gz CIPVCJCXMOXVIX-INMHGKMJSA-N 2 1 271.408 2.306 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccncc1N ZINC000641703604 372638425 /nfs/dbraw/zinc/63/84/25/372638425.db2.gz XVZYNXWWSZQTRJ-ZDUSSCGKSA-N 2 1 262.401 2.018 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccncc1N ZINC000641703604 372638430 /nfs/dbraw/zinc/63/84/30/372638430.db2.gz XVZYNXWWSZQTRJ-ZDUSSCGKSA-N 2 1 262.401 2.018 20 0 CEADMP CC(C)CC[C@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000641775947 372719024 /nfs/dbraw/zinc/71/90/24/372719024.db2.gz PYPBKSGRNOVDDI-CQSZACIVSA-N 2 1 265.401 2.034 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccccc2)C2CCC2)C1 ZINC000641780729 372722778 /nfs/dbraw/zinc/72/27/78/372722778.db2.gz MWAXQAYFXWCTIN-DLBZAZTESA-N 2 1 274.408 2.184 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccccc2)C2CCC2)C1 ZINC000641780729 372722781 /nfs/dbraw/zinc/72/27/81/372722781.db2.gz MWAXQAYFXWCTIN-DLBZAZTESA-N 2 1 274.408 2.184 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccccc2)C2CCC2)C1 ZINC000641780731 372722923 /nfs/dbraw/zinc/72/29/23/372722923.db2.gz MWAXQAYFXWCTIN-IAGOWNOFSA-N 2 1 274.408 2.184 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccccc2)C2CCC2)C1 ZINC000641780731 372722928 /nfs/dbraw/zinc/72/29/28/372722928.db2.gz MWAXQAYFXWCTIN-IAGOWNOFSA-N 2 1 274.408 2.184 20 0 CEADMP CCc1noc(C2CCC([NH2+][C@H]3C[NH2+]CC[C@H]3C)CC2)n1 ZINC000333103125 205031825 /nfs/dbraw/zinc/03/18/25/205031825.db2.gz FCVMTSAXZHTXIS-RYSNWHEDSA-N 2 1 292.427 2.246 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(C)cc1 ZINC000641771629 372713647 /nfs/dbraw/zinc/71/36/47/372713647.db2.gz KKNOQTFBMFWDOR-MRXNPFEDSA-N 2 1 264.413 2.177 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802067 372746702 /nfs/dbraw/zinc/74/67/02/372746702.db2.gz HKHJMODQXLHTBW-NILFDRSVSA-N 2 1 289.423 2.291 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803083 372748712 /nfs/dbraw/zinc/74/87/12/372748712.db2.gz DGLMVRLEFAMRQW-MJBXVCDLSA-N 2 1 289.423 2.346 20 0 CEADMP Cc1c(Cl)cccc1NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641804807 372750670 /nfs/dbraw/zinc/75/06/70/372750670.db2.gz JYQMXZMNBCQNAK-STQMWFEESA-N 2 1 295.814 2.302 20 0 CEADMP CC(C)c1cccc(NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641810008 372758933 /nfs/dbraw/zinc/75/89/33/372758933.db2.gz ZLZCYPFSIPJJLS-CABCVRRESA-N 2 1 289.423 2.464 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nccs2)[C@H]2CCC[C@H]21 ZINC000353465965 220098125 /nfs/dbraw/zinc/09/81/25/220098125.db2.gz ZZAGIOBAQGYWCQ-GRYCIOLGSA-N 2 1 251.399 2.106 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2nccs2)[C@H]2CCC[C@H]21 ZINC000353465965 220098126 /nfs/dbraw/zinc/09/81/26/220098126.db2.gz ZZAGIOBAQGYWCQ-GRYCIOLGSA-N 2 1 251.399 2.106 20 0 CEADMP Brc1c[nH+]ccc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643031127 372923627 /nfs/dbraw/zinc/92/36/27/372923627.db2.gz HQJAZCZCAPPNKS-ONGXEEELSA-N 2 1 282.185 2.032 20 0 CEADMP Brc1c[nH+]ccc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643031124 372921979 /nfs/dbraw/zinc/92/19/79/372921979.db2.gz HQJAZCZCAPPNKS-GXSJLCMTSA-N 2 1 282.185 2.032 20 0 CEADMP Cc1ncsc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353512465 220126786 /nfs/dbraw/zinc/12/67/86/220126786.db2.gz CUAAZLNRSLWKHP-UPJWGTAASA-N 2 1 265.426 2.414 20 0 CEADMP C[C@@H]1Cc2ccccc2[C@@H]1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000366232492 373011509 /nfs/dbraw/zinc/01/15/09/373011509.db2.gz GTHVEMABOASAOF-NYCLONFESA-N 2 1 286.419 2.373 20 0 CEADMP C[C@@H]1Cc2ccccc2[C@@H]1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000366232492 373011514 /nfs/dbraw/zinc/01/15/14/373011514.db2.gz GTHVEMABOASAOF-NYCLONFESA-N 2 1 286.419 2.373 20 0 CEADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000366232492 373011519 /nfs/dbraw/zinc/01/15/19/373011519.db2.gz GTHVEMABOASAOF-NYCLONFESA-N 2 1 286.419 2.373 20 0 CEADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000366232492 373011524 /nfs/dbraw/zinc/01/15/24/373011524.db2.gz GTHVEMABOASAOF-NYCLONFESA-N 2 1 286.419 2.373 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2ncccc2C1 ZINC000366382190 373032277 /nfs/dbraw/zinc/03/22/77/373032277.db2.gz WSEWUGIQTBRZKW-UHFFFAOYSA-N 2 1 270.380 2.425 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2ncccc2C1 ZINC000366382190 373032289 /nfs/dbraw/zinc/03/22/89/373032289.db2.gz WSEWUGIQTBRZKW-UHFFFAOYSA-N 2 1 270.380 2.425 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(C)c1 ZINC000366258170 373018441 /nfs/dbraw/zinc/01/84/41/373018441.db2.gz HPHFSSVBSGPPCI-KFWWJZLASA-N 2 1 262.401 2.088 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cnn(C)c1 ZINC000366258170 373018447 /nfs/dbraw/zinc/01/84/47/373018447.db2.gz HPHFSSVBSGPPCI-KFWWJZLASA-N 2 1 262.401 2.088 20 0 CEADMP Cc1cnn(CCCCC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000366445442 373051069 /nfs/dbraw/zinc/05/10/69/373051069.db2.gz WZEXRJQTJFWAKG-KRWDZBQOSA-N 2 1 290.455 2.389 20 0 CEADMP CN(CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000366479501 373064037 /nfs/dbraw/zinc/06/40/37/373064037.db2.gz HABYBRLVEYVBHO-QGZVFWFLSA-N 2 1 273.424 2.150 20 0 CEADMP CN(CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000366479501 373064040 /nfs/dbraw/zinc/06/40/40/373064040.db2.gz HABYBRLVEYVBHO-QGZVFWFLSA-N 2 1 273.424 2.150 20 0 CEADMP CN(CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000366479501 373064044 /nfs/dbraw/zinc/06/40/44/373064044.db2.gz HABYBRLVEYVBHO-QGZVFWFLSA-N 2 1 273.424 2.150 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCN1CCC1 ZINC000344844315 217330841 /nfs/dbraw/zinc/33/08/41/217330841.db2.gz HORKMBKTQDCKKW-UHFFFAOYSA-N 2 1 289.467 2.440 20 0 CEADMP CC(C)c1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])on1 ZINC000643455269 373125082 /nfs/dbraw/zinc/12/50/82/373125082.db2.gz SSDCUSYLXVPMIM-YPMHNXCESA-N 2 1 251.374 2.405 20 0 CEADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000643463004 373132981 /nfs/dbraw/zinc/13/29/81/373132981.db2.gz YJMYWDFWBUVJHT-WHOFXGATSA-N 2 1 295.377 2.274 20 0 CEADMP CC(C)Oc1ncccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000643471962 373141677 /nfs/dbraw/zinc/14/16/77/373141677.db2.gz ZWNDQZWHJPNSMC-NEPJUHHUSA-N 2 1 251.374 2.084 20 0 CEADMP c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000643611338 373217775 /nfs/dbraw/zinc/21/77/75/373217775.db2.gz MSHNWFJZEOGXAB-MRXNPFEDSA-N 2 1 260.381 2.030 20 0 CEADMP C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)C1C[NH2+]C1 ZINC000643533105 373189460 /nfs/dbraw/zinc/18/94/60/373189460.db2.gz YTVAVXXZOUFZNI-YGRLFVJLSA-N 2 1 275.396 2.069 20 0 CEADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000643545201 373202762 /nfs/dbraw/zinc/20/27/62/373202762.db2.gz MGTLZRPIUOAWPV-ZBFHGGJFSA-N 2 1 289.423 2.444 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000271908231 373209199 /nfs/dbraw/zinc/20/91/99/373209199.db2.gz XGSIDOSDOIYVNV-KRWDZBQOSA-N 2 1 256.393 2.395 20 0 CEADMP COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCCn1cc[nH+]c1C ZINC000272061163 373287798 /nfs/dbraw/zinc/28/77/98/373287798.db2.gz SAKDGZWGRGODOE-ZBFHGGJFSA-N 2 1 293.411 2.293 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CC3CCOCC3)C2)CC1 ZINC000369196226 373355888 /nfs/dbraw/zinc/35/58/88/373355888.db2.gz DUWRZGNVOFPWQV-UHFFFAOYSA-N 2 1 266.429 2.221 20 0 CEADMP COc1c(O)cccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000272506077 373524380 /nfs/dbraw/zinc/52/43/80/373524380.db2.gz WHNHQDXCBNFKCG-GFCCVEGCSA-N 2 1 289.379 2.332 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2COCCOC2)CC1 ZINC000644553492 373527564 /nfs/dbraw/zinc/52/75/64/373527564.db2.gz SHODMOCJNVVVEQ-PBHICJAKSA-N 2 1 296.455 2.035 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CC=CCC1 ZINC000644571186 373536880 /nfs/dbraw/zinc/53/68/80/373536880.db2.gz BMFUJULHPVWJNK-IRXDYDNUSA-N 2 1 274.408 2.178 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CC=CCC1 ZINC000644571186 373536888 /nfs/dbraw/zinc/53/68/88/373536888.db2.gz BMFUJULHPVWJNK-IRXDYDNUSA-N 2 1 274.408 2.178 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC=CCC1 ZINC000644571185 373537544 /nfs/dbraw/zinc/53/75/44/373537544.db2.gz BMFUJULHPVWJNK-IAGOWNOFSA-N 2 1 274.408 2.178 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC=CCC1 ZINC000644571185 373537549 /nfs/dbraw/zinc/53/75/49/373537549.db2.gz BMFUJULHPVWJNK-IAGOWNOFSA-N 2 1 274.408 2.178 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272710222 373625642 /nfs/dbraw/zinc/62/56/42/373625642.db2.gz VDCSGLCDMSBNDG-DZJNRPSUSA-N 2 1 288.435 2.258 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000246561029 189929744 /nfs/dbraw/zinc/92/97/44/189929744.db2.gz UJRJSNBYJFLZRY-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP CCCc1noc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)n1 ZINC000370723328 373727260 /nfs/dbraw/zinc/72/72/60/373727260.db2.gz HDCMZFITPJPGJZ-LBPRGKRZSA-N 2 1 289.383 2.135 20 0 CEADMP CCc1noc([C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000333866482 205787425 /nfs/dbraw/zinc/78/74/25/205787425.db2.gz RAIQTOZEBRIVGD-AAEUAGOBSA-N 2 1 278.400 2.157 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)C1 ZINC000371263765 373825010 /nfs/dbraw/zinc/82/50/10/373825010.db2.gz CYSYZENRCRAFHU-RRFJBIMHSA-N 2 1 293.455 2.027 20 0 CEADMP Cc1noc(C)c1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000274409050 373911440 /nfs/dbraw/zinc/91/14/40/373911440.db2.gz ZNAOAMHBDNFWNX-UHFFFAOYSA-N 2 1 286.379 2.317 20 0 CEADMP Cc1cccc(NC2CC[NH+](CCC(C)(C)O)CC2)[nH+]1 ZINC000371880239 373996600 /nfs/dbraw/zinc/99/66/00/373996600.db2.gz RQZMMUNYKFHJQG-UHFFFAOYSA-N 2 1 277.412 2.427 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2Cc3ccccc3O2)C1 ZINC000372788044 374199437 /nfs/dbraw/zinc/19/94/37/374199437.db2.gz ZMMLONNHLJKEDF-GOEBONIOSA-N 2 1 274.408 2.264 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2Cc3ccccc3O2)C1 ZINC000372788044 374199443 /nfs/dbraw/zinc/19/94/43/374199443.db2.gz ZMMLONNHLJKEDF-GOEBONIOSA-N 2 1 274.408 2.264 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2Cc3ccccc3O2)C1 ZINC000372788044 374199448 /nfs/dbraw/zinc/19/94/48/374199448.db2.gz ZMMLONNHLJKEDF-GOEBONIOSA-N 2 1 274.408 2.264 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2Cc3ccccc3O2)C1 ZINC000372788044 374199457 /nfs/dbraw/zinc/19/94/57/374199457.db2.gz ZMMLONNHLJKEDF-GOEBONIOSA-N 2 1 274.408 2.264 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2Cc3ccccc3O2)C1 ZINC000372788044 374199464 /nfs/dbraw/zinc/19/94/64/374199464.db2.gz ZMMLONNHLJKEDF-GOEBONIOSA-N 2 1 274.408 2.264 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)CS1 ZINC000372848288 374210512 /nfs/dbraw/zinc/21/05/12/374210512.db2.gz QMZJCPGYPPZSMV-UPJWGTAASA-N 2 1 265.426 2.318 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(CO)c1 ZINC000373189958 374286203 /nfs/dbraw/zinc/28/62/03/374286203.db2.gz HAZCVQGYGMUBMS-XKQJLSEDSA-N 2 1 274.408 2.456 20 0 CEADMP CC[N@H+]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC000684162565 541935012 /nfs/dbraw/zinc/93/50/12/541935012.db2.gz FTGCWDJBBCWWTP-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC000684162565 541935017 /nfs/dbraw/zinc/93/50/17/541935017.db2.gz FTGCWDJBBCWWTP-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC000684162565 541935022 /nfs/dbraw/zinc/93/50/22/541935022.db2.gz FTGCWDJBBCWWTP-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP COC[C@H](C)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374313020 374540240 /nfs/dbraw/zinc/54/02/40/374540240.db2.gz SUDMBSQDFPVKAT-UONOGXRCSA-N 2 1 266.429 2.218 20 0 CEADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000334179805 206151959 /nfs/dbraw/zinc/15/19/59/206151959.db2.gz BKAWERWQKGVIRF-ZFWWWQNUSA-N 2 1 276.428 2.130 20 0 CEADMP COc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[NH+](C)C ZINC000376896093 374753588 /nfs/dbraw/zinc/75/35/88/374753588.db2.gz YPKQWZBANVXLGE-HNNXBMFYSA-N 2 1 278.396 2.450 20 0 CEADMP C[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000376753385 374729519 /nfs/dbraw/zinc/72/95/19/374729519.db2.gz XVTLBBNXTMLAIE-INIZCTEOSA-N 2 1 288.435 2.355 20 0 CEADMP O=C1OCC[C@H]1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000376798189 374736973 /nfs/dbraw/zinc/73/69/73/374736973.db2.gz DMGZSEJQLPEDGU-JKSUJKDBSA-N 2 1 294.439 2.138 20 0 CEADMP COC(=O)c1coc([C@H](C)NCCC[N@@H+](C)C(C)C)c1 ZINC000278332527 374781094 /nfs/dbraw/zinc/78/10/94/374781094.db2.gz WNQWWOHUISAXII-LBPRGKRZSA-N 2 1 282.384 2.447 20 0 CEADMP Cn1ccnc1CNC[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000377757632 374945298 /nfs/dbraw/zinc/94/52/98/374945298.db2.gz ADJXGLXNDLBNQN-RDJZCZTQSA-N 2 1 284.407 2.203 20 0 CEADMP CCOCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280265064 375149501 /nfs/dbraw/zinc/14/95/01/375149501.db2.gz CPLSMMTUIKMLTH-CALCHBBNSA-N 2 1 274.408 2.087 20 0 CEADMP CCOCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280265064 375149503 /nfs/dbraw/zinc/14/95/03/375149503.db2.gz CPLSMMTUIKMLTH-CALCHBBNSA-N 2 1 274.408 2.087 20 0 CEADMP CCOCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280265064 375149510 /nfs/dbraw/zinc/14/95/10/375149510.db2.gz CPLSMMTUIKMLTH-CALCHBBNSA-N 2 1 274.408 2.087 20 0 CEADMP C[C@@H]1C[C@@H](NC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379626563 375153851 /nfs/dbraw/zinc/15/38/51/375153851.db2.gz HHJJIXPHBKOXRY-QAPCUYQASA-N 2 1 287.451 2.381 20 0 CEADMP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1OC ZINC000386144154 375252890 /nfs/dbraw/zinc/25/28/90/375252890.db2.gz QWKUGILFXCPHCS-HIFRSBDPSA-N 2 1 292.423 2.367 20 0 CEADMP Cc1ccc(C)c(OCCC[N@@H+](C)[C@H](C)C[NH3+])c1 ZINC000383025373 375197313 /nfs/dbraw/zinc/19/73/13/375197313.db2.gz YJYCUMITFHPLEM-CQSZACIVSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1ccc(C)c(OCCC[N@H+](C)[C@H](C)C[NH3+])c1 ZINC000383025373 375197319 /nfs/dbraw/zinc/19/73/19/375197319.db2.gz YJYCUMITFHPLEM-CQSZACIVSA-N 2 1 250.386 2.351 20 0 CEADMP C[C@@]1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCCS1 ZINC000383021673 375197346 /nfs/dbraw/zinc/19/73/46/375197346.db2.gz RSFDFILJEBJOHV-OCCSQVGLSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)O1 ZINC000384554657 375211832 /nfs/dbraw/zinc/21/18/32/375211832.db2.gz GSUNSTWDKLEENS-AIXJXYAISA-N 2 1 252.402 2.157 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)O1 ZINC000384554657 375211837 /nfs/dbraw/zinc/21/18/37/375211837.db2.gz GSUNSTWDKLEENS-AIXJXYAISA-N 2 1 252.402 2.157 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)O1 ZINC000384554660 375212111 /nfs/dbraw/zinc/21/21/11/375212111.db2.gz GSUNSTWDKLEENS-PWEOIFTKSA-N 2 1 252.402 2.157 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)O1 ZINC000384554660 375212117 /nfs/dbraw/zinc/21/21/17/375212117.db2.gz GSUNSTWDKLEENS-PWEOIFTKSA-N 2 1 252.402 2.157 20 0 CEADMP C[N@@H+](CCOc1cccc(Cl)c1)C1CC([NH3+])C1 ZINC000384918328 375220439 /nfs/dbraw/zinc/22/04/39/375220439.db2.gz QVBDNSQFJWCJEI-UHFFFAOYSA-N 2 1 254.761 2.140 20 0 CEADMP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C1CC([NH3+])C1 ZINC000385042764 375226112 /nfs/dbraw/zinc/22/61/12/375226112.db2.gz RLQGHTWNYYLRBX-UHFFFAOYSA-N 2 1 281.787 2.090 20 0 CEADMP C[C@@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000282420071 375480585 /nfs/dbraw/zinc/48/05/85/375480585.db2.gz SPXXKWBRPHEDDX-INIZCTEOSA-N 2 1 289.467 2.406 20 0 CEADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCO ZINC000282594866 375525348 /nfs/dbraw/zinc/52/53/48/375525348.db2.gz XKQHSLQYCJWLCA-MRXNPFEDSA-N 2 1 276.424 2.259 20 0 CEADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCO ZINC000282594866 375525354 /nfs/dbraw/zinc/52/53/54/375525354.db2.gz XKQHSLQYCJWLCA-MRXNPFEDSA-N 2 1 276.424 2.259 20 0 CEADMP Oc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000684425085 542001938 /nfs/dbraw/zinc/00/19/38/542001938.db2.gz ANZOUHJABGZOLP-UHFFFAOYSA-N 2 1 260.381 2.499 20 0 CEADMP Cc1nccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000684618486 542046342 /nfs/dbraw/zinc/04/63/42/542046342.db2.gz OXTFUOQBYBACBM-UHFFFAOYSA-N 2 1 276.428 2.337 20 0 CEADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)nn1C ZINC000414285220 375820841 /nfs/dbraw/zinc/82/08/41/375820841.db2.gz LMFNXTXFOGCGMV-AWEZNQCLSA-N 2 1 278.444 2.330 20 0 CEADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)OCC1CC1 ZINC000414276324 375815943 /nfs/dbraw/zinc/81/59/43/375815943.db2.gz VLIMPLPTGCOXOO-LSDHHAIUSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)nn1C ZINC000414280584 375818583 /nfs/dbraw/zinc/81/85/83/375818583.db2.gz DKNRCLDJVUBNTD-CQSZACIVSA-N 2 1 278.444 2.473 20 0 CEADMP CO[C@@H](C)C[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285818181 375844266 /nfs/dbraw/zinc/84/42/66/375844266.db2.gz WDMFTTYVEHZSCY-ZDUSSCGKSA-N 2 1 254.374 2.068 20 0 CEADMP CC[N@H+]1CCN(Cc2ncc(C)c(OC)c2C)[C@@H](C)C1 ZINC000286261281 375890114 /nfs/dbraw/zinc/89/01/14/375890114.db2.gz AYVZZXVOXOIRCN-ZDUSSCGKSA-N 2 1 277.412 2.233 20 0 CEADMP CC[N@H+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)[C@@H](C)C1 ZINC000286261281 375890123 /nfs/dbraw/zinc/89/01/23/375890123.db2.gz AYVZZXVOXOIRCN-ZDUSSCGKSA-N 2 1 277.412 2.233 20 0 CEADMP [NH3+]Cc1ccc(-c2noc([C@H]3CCCc4[nH+]ccn43)n2)cc1 ZINC000414642910 375894855 /nfs/dbraw/zinc/89/48/55/375894855.db2.gz KFPWQDJHFOORAZ-CYBMUJFWSA-N 2 1 295.346 2.318 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc4c3OC(F)(F)O4)C[C@@H]12 ZINC000414667191 375907872 /nfs/dbraw/zinc/90/78/72/375907872.db2.gz HCTDSDZDUPZGGK-MVWJERBFSA-N 2 1 296.317 2.177 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4c3OC(F)(F)O4)C[C@@H]12 ZINC000414667191 375907875 /nfs/dbraw/zinc/90/78/75/375907875.db2.gz HCTDSDZDUPZGGK-MVWJERBFSA-N 2 1 296.317 2.177 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC[NH2+]1 ZINC000414763782 375954656 /nfs/dbraw/zinc/95/46/56/375954656.db2.gz XYRVATZCJFPDCT-KBUPBQIOSA-N 2 1 268.445 2.103 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000414764114 375954903 /nfs/dbraw/zinc/95/49/03/375954903.db2.gz DRDBQXNYTNQXNZ-NXOAAHMSSA-N 2 1 256.393 2.331 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCC2 ZINC000414772899 375961965 /nfs/dbraw/zinc/96/19/65/375961965.db2.gz CRWYMMCWXLTUOO-IRXDYDNUSA-N 2 1 286.419 2.443 20 0 CEADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1SC ZINC000414795327 375980833 /nfs/dbraw/zinc/98/08/33/375980833.db2.gz GRJNXTWRFFACGX-GFCCVEGCSA-N 2 1 266.410 2.244 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)C1CC1 ZINC000414795303 375980900 /nfs/dbraw/zinc/98/09/00/375980900.db2.gz GMVSSYVVJVIIIA-SFHVURJKSA-N 2 1 297.402 2.488 20 0 CEADMP FC(F)n1ccnc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784862 375967093 /nfs/dbraw/zinc/96/70/93/375967093.db2.gz RRCARNWTEJVHBT-NEPJUHHUSA-N 2 1 284.354 2.100 20 0 CEADMP FC(F)n1ccnc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784862 375967101 /nfs/dbraw/zinc/96/71/01/375967101.db2.gz RRCARNWTEJVHBT-NEPJUHHUSA-N 2 1 284.354 2.100 20 0 CEADMP Cn1cc(C[N@H+](C)C2CC([NH3+])C2)c(-c2ccccc2)n1 ZINC000414783413 375967613 /nfs/dbraw/zinc/96/76/13/375967613.db2.gz ZKPBBTRVMRTFSF-UHFFFAOYSA-N 2 1 270.380 2.009 20 0 CEADMP Cn1cc(C[N@@H+](C)C2CC([NH3+])C2)c(-c2ccccc2)n1 ZINC000414783413 375967617 /nfs/dbraw/zinc/96/76/17/375967617.db2.gz ZKPBBTRVMRTFSF-UHFFFAOYSA-N 2 1 270.380 2.009 20 0 CEADMP CCc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414794705 375977865 /nfs/dbraw/zinc/97/78/65/375977865.db2.gz VTELHIHXUKNQHG-KRWDZBQOSA-N 2 1 288.435 2.436 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](CCC2CCCCC2)CC(N)=O)CC[NH2+]1 ZINC000414695065 375922786 /nfs/dbraw/zinc/92/27/86/375922786.db2.gz ORZGBFYSVATCFF-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](CCCO)Cc2ccccc2)CC[NH2+]1 ZINC000414695712 375924598 /nfs/dbraw/zinc/92/45/98/375924598.db2.gz OOCMZAAWXCWATD-DOTOQJQBSA-N 2 1 276.424 2.259 20 0 CEADMP [NH3+]CCCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000414697523 375924654 /nfs/dbraw/zinc/92/46/54/375924654.db2.gz CDDHDKHGYMWJOF-MSOLQXFVSA-N 2 1 287.451 2.322 20 0 CEADMP CCCCC[C@@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414704816 375932096 /nfs/dbraw/zinc/93/20/96/375932096.db2.gz JRZVDWZUAAZGCV-JKSUJKDBSA-N 2 1 295.471 2.228 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@@H](CCO)c2ccccc2)CC[NH2+]1 ZINC000414718569 375938374 /nfs/dbraw/zinc/93/83/74/375938374.db2.gz ZJMDDGLONMIRKF-VYDXJSESSA-N 2 1 276.424 2.430 20 0 CEADMP CCOC(=O)[C@H](CC)[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000414736235 375942939 /nfs/dbraw/zinc/94/29/39/375942939.db2.gz GJPYPENMUUZDBT-IPYPFGDCSA-N 2 1 282.428 2.181 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CC[NH2+]1 ZINC000414734258 375943054 /nfs/dbraw/zinc/94/30/54/375943054.db2.gz DJFVULNLALUSRW-PVAVHDDUSA-N 3 1 279.472 2.038 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC[NH2+]1 ZINC000414734258 375943057 /nfs/dbraw/zinc/94/30/57/375943057.db2.gz DJFVULNLALUSRW-PVAVHDDUSA-N 3 1 279.472 2.038 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC[NH2+]1 ZINC000414734258 375943062 /nfs/dbraw/zinc/94/30/62/375943062.db2.gz DJFVULNLALUSRW-PVAVHDDUSA-N 3 1 279.472 2.038 20 0 CEADMP COC(=O)[C@H](CC1CCCCC1)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414742855 375947418 /nfs/dbraw/zinc/94/74/18/375947418.db2.gz GKOYOALUUPTWJC-BPUTZDHNSA-N 2 1 296.455 2.476 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000414810020 375995407 /nfs/dbraw/zinc/99/54/07/375995407.db2.gz NGTIEPPEZJTVJW-UHFFFAOYSA-N 2 1 266.433 2.325 20 0 CEADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000415970051 376030917 /nfs/dbraw/zinc/03/09/17/376030917.db2.gz GSWLYURMOGVELI-IUODEOHRSA-N 2 1 290.411 2.010 20 0 CEADMP CC1(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)COC1 ZINC000286527600 375983399 /nfs/dbraw/zinc/98/33/99/375983399.db2.gz NLOJFPXIOBFJPM-KRWDZBQOSA-N 2 1 288.435 2.177 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3Cc4ccccc43)C2)CC1 ZINC000287195813 376170916 /nfs/dbraw/zinc/17/09/16/376170916.db2.gz HZQDNQGVOCROFH-QZTJIDSGSA-N 2 1 299.462 2.038 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000289734430 376470166 /nfs/dbraw/zinc/47/01/66/376470166.db2.gz HVDNDTKAYUCOFM-IRXDYDNUSA-N 2 1 274.408 2.279 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000289734430 376470167 /nfs/dbraw/zinc/47/01/67/376470167.db2.gz HVDNDTKAYUCOFM-IRXDYDNUSA-N 2 1 274.408 2.279 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000289734430 376470173 /nfs/dbraw/zinc/47/01/73/376470173.db2.gz HVDNDTKAYUCOFM-IRXDYDNUSA-N 2 1 274.408 2.279 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000289734430 376470177 /nfs/dbraw/zinc/47/01/77/376470177.db2.gz HVDNDTKAYUCOFM-IRXDYDNUSA-N 2 1 274.408 2.279 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000289741206 376474949 /nfs/dbraw/zinc/47/49/49/376474949.db2.gz IEMLVRNUDALWNP-FUHWJXTLSA-N 2 1 288.435 2.006 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000289741206 376474953 /nfs/dbraw/zinc/47/49/53/376474953.db2.gz IEMLVRNUDALWNP-FUHWJXTLSA-N 2 1 288.435 2.006 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000289741206 376474957 /nfs/dbraw/zinc/47/49/57/376474957.db2.gz IEMLVRNUDALWNP-FUHWJXTLSA-N 2 1 288.435 2.006 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000289741206 376474963 /nfs/dbraw/zinc/47/49/63/376474963.db2.gz IEMLVRNUDALWNP-FUHWJXTLSA-N 2 1 288.435 2.006 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1Cc2ccccc2[C@@H]1O ZINC000305774502 376486120 /nfs/dbraw/zinc/48/61/20/376486120.db2.gz JFWXYOFMGKFUQT-IRXDYDNUSA-N 2 1 285.391 2.172 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1Cc2ccccc2[C@@H]1O ZINC000305774502 376486130 /nfs/dbraw/zinc/48/61/30/376486130.db2.gz JFWXYOFMGKFUQT-IRXDYDNUSA-N 2 1 285.391 2.172 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000305788619 376492142 /nfs/dbraw/zinc/49/21/42/376492142.db2.gz SOLYGGQJSXJARM-IAGOWNOFSA-N 2 1 276.424 2.430 20 0 CEADMP C[C@H](C[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1)c1ccccc1 ZINC000289926086 376562208 /nfs/dbraw/zinc/56/22/08/376562208.db2.gz OVDMWPUJEHGECA-RHSMWYFYSA-N 2 1 276.424 2.177 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1)c1ccccc1 ZINC000289926086 376562217 /nfs/dbraw/zinc/56/22/17/376562217.db2.gz OVDMWPUJEHGECA-RHSMWYFYSA-N 2 1 276.424 2.177 20 0 CEADMP C[C@H](C[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289926086 376562224 /nfs/dbraw/zinc/56/22/24/376562224.db2.gz OVDMWPUJEHGECA-RHSMWYFYSA-N 2 1 276.424 2.177 20 0 CEADMP C[C@H](C[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289926086 376562233 /nfs/dbraw/zinc/56/22/33/376562233.db2.gz OVDMWPUJEHGECA-RHSMWYFYSA-N 2 1 276.424 2.177 20 0 CEADMP C[C@]1(CNC(=[NH2+])NC2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309671416 376600283 /nfs/dbraw/zinc/60/02/83/376600283.db2.gz SXZDOSAZHWWSKF-QGZVFWFLSA-N 2 1 286.423 2.175 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000557664856 376576369 /nfs/dbraw/zinc/57/63/69/376576369.db2.gz XJWADTCCXUJYFJ-CYBMUJFWSA-N 2 1 289.423 2.337 20 0 CEADMP CCOCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309964258 376610730 /nfs/dbraw/zinc/61/07/30/376610730.db2.gz KAOVMSGYEYKVTN-ROUUACIJSA-N 2 1 288.435 2.477 20 0 CEADMP CCOCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309964258 376610740 /nfs/dbraw/zinc/61/07/40/376610740.db2.gz KAOVMSGYEYKVTN-ROUUACIJSA-N 2 1 288.435 2.477 20 0 CEADMP CCOCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309964258 376610756 /nfs/dbraw/zinc/61/07/56/376610756.db2.gz KAOVMSGYEYKVTN-ROUUACIJSA-N 2 1 288.435 2.477 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)c1cn[nH]c1)C[NH+]1CCCCC1 ZINC000310641999 376630700 /nfs/dbraw/zinc/63/07/00/376630700.db2.gz CLHHCEDFDBEKTA-OLZOCXBDSA-N 2 1 250.390 2.182 20 0 CEADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000310882021 376642142 /nfs/dbraw/zinc/64/21/42/376642142.db2.gz VGXNWKOMXXEBDA-GFCCVEGCSA-N 2 1 250.390 2.325 20 0 CEADMP CN(C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)C1CC1 ZINC000290129477 376653201 /nfs/dbraw/zinc/65/32/01/376653201.db2.gz ZLPWFGHGJSUBOL-IAGOWNOFSA-N 2 1 292.398 2.418 20 0 CEADMP CN(C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1)C1CC1 ZINC000290129477 376653207 /nfs/dbraw/zinc/65/32/07/376653207.db2.gz ZLPWFGHGJSUBOL-IAGOWNOFSA-N 2 1 292.398 2.418 20 0 CEADMP COCC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000311621665 376679567 /nfs/dbraw/zinc/67/95/67/376679567.db2.gz HIIRJASOWYQJPV-GOOCMWNKSA-N 2 1 266.429 2.408 20 0 CEADMP COc1cncc(CN(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000290395310 376759231 /nfs/dbraw/zinc/75/92/31/376759231.db2.gz SLTBLVXHKULVDM-OAHLLOKOSA-N 2 1 277.412 2.396 20 0 CEADMP c1cn(-c2ccccc2)nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320204994 376821449 /nfs/dbraw/zinc/82/14/49/376821449.db2.gz TXZKYGBENIBUNQ-IYBDPMFKSA-N 2 1 296.418 2.304 20 0 CEADMP COC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC000319605089 376817508 /nfs/dbraw/zinc/81/75/08/376817508.db2.gz JYNDSBDZUKTKAI-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc2c1OCO2 ZINC000290559586 376833508 /nfs/dbraw/zinc/83/35/08/376833508.db2.gz SHUXXYKBEWGCLD-JSGCOSHPSA-N 2 1 276.380 2.187 20 0 CEADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cccc2c1OCO2 ZINC000290559586 376833512 /nfs/dbraw/zinc/83/35/12/376833512.db2.gz SHUXXYKBEWGCLD-JSGCOSHPSA-N 2 1 276.380 2.187 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422891283 376853960 /nfs/dbraw/zinc/85/39/60/376853960.db2.gz VBDIUERGQUIODL-QKPAOTATSA-N 2 1 267.461 2.499 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422901780 376858743 /nfs/dbraw/zinc/85/87/43/376858743.db2.gz CGUUTSRLBSNPCL-ZOBUZTSGSA-N 2 1 277.456 2.265 20 0 CEADMP N[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422900161 376858843 /nfs/dbraw/zinc/85/88/43/376858843.db2.gz IYQUGWNUOLIDAY-QZTJIDSGSA-N 2 1 287.451 2.368 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)C1C[NH2+]C1 ZINC000422955348 376879984 /nfs/dbraw/zinc/87/99/84/376879984.db2.gz JANFPQPYIQQPRZ-MRVPVSSYSA-N 2 1 287.176 2.286 20 0 CEADMP Cn1cc(-c2cccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])c2)cn1 ZINC000422966413 376894278 /nfs/dbraw/zinc/89/42/78/376894278.db2.gz RJKVPKZFESRGLP-HOTGVXAUSA-N 2 1 270.380 2.057 20 0 CEADMP CC[C@H](NC[C@H](c1ccco1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422965275 376894339 /nfs/dbraw/zinc/89/43/39/376894339.db2.gz OHNFNECNTVOBTE-MELADBBJSA-N 2 1 265.401 2.003 20 0 CEADMP CC[C@@H](NCC[N@H+]1CCCC(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000423078012 376972246 /nfs/dbraw/zinc/97/22/46/376972246.db2.gz VBRLFECZBLSJBA-CABCVRRESA-N 2 1 267.461 2.229 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422981044 376905511 /nfs/dbraw/zinc/90/55/11/376905511.db2.gz RYDUBGIEJXEGBC-GFCCVEGCSA-N 2 1 265.401 2.476 20 0 CEADMP CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)CCO1 ZINC000422986224 376907186 /nfs/dbraw/zinc/90/71/86/376907186.db2.gz GTFZRNNSKNNIPR-YWPYICTPSA-N 2 1 263.385 2.348 20 0 CEADMP C[C@@H]([NH2+]CCCc1ccccn1)c1c[nH+]ccc1N ZINC000422995071 376909696 /nfs/dbraw/zinc/90/96/96/376909696.db2.gz JGFFPHFDSLMXTJ-GFCCVEGCSA-N 2 1 256.353 2.173 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422995613 376912445 /nfs/dbraw/zinc/91/24/45/376912445.db2.gz KMLARQHAEGFEPG-ZACQAIPSSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422998762 376917707 /nfs/dbraw/zinc/91/77/07/376917707.db2.gz DFAQUAAHGPOKAP-VIRABCJISA-N 2 1 260.381 2.281 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000423064569 376952758 /nfs/dbraw/zinc/95/27/58/376952758.db2.gz RTKZWUFZRARIJE-LOWDOPEQSA-N 2 1 294.361 2.200 20 0 CEADMP CO[C@H](CC[NH2+][C@@H](C)c1c[nH+]ccc1N)C(F)(F)F ZINC000423066666 376957848 /nfs/dbraw/zinc/95/78/48/376957848.db2.gz FDYOHVQUONTPNK-GZMMTYOYSA-N 2 1 277.290 2.112 20 0 CEADMP Cc1cscc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423085468 376979423 /nfs/dbraw/zinc/97/94/23/376979423.db2.gz JZBYHSVCXHBASO-RBSFLKMASA-N 2 1 280.437 2.303 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)C[N@@H+](C)C(C)C ZINC000423119173 377015566 /nfs/dbraw/zinc/01/55/66/377015566.db2.gz BONBDKMGMAKUSA-CHWSQXEVSA-N 2 1 278.444 2.228 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)CN(C)C(C)C ZINC000423119173 377015571 /nfs/dbraw/zinc/01/55/71/377015571.db2.gz BONBDKMGMAKUSA-CHWSQXEVSA-N 2 1 278.444 2.228 20 0 CEADMP COc1cccc(C2(C[NH2+][C@H](C)[C@H]3CCC[NH2+]3)CC2)c1 ZINC000423122423 377020255 /nfs/dbraw/zinc/02/02/55/377020255.db2.gz KRSFIILQWBPXOH-CZUORRHYSA-N 2 1 274.408 2.457 20 0 CEADMP COC[C@H](C)C[NH2+]C[C@H]1CCCC[N@@H+]1CC(C)C ZINC000562946038 377030697 /nfs/dbraw/zinc/03/06/97/377030697.db2.gz IDVJPCAJJFBUQE-HUUCEWRRSA-N 2 1 256.434 2.369 20 0 CEADMP COC[C@H](C)C[NH2+]C[C@H]1CCCC[N@H+]1CC(C)C ZINC000562946038 377030707 /nfs/dbraw/zinc/03/07/07/377030707.db2.gz IDVJPCAJJFBUQE-HUUCEWRRSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000423138709 377036955 /nfs/dbraw/zinc/03/69/55/377036955.db2.gz JWRDOAFJDLJNLX-FMKPAKJESA-N 2 1 291.414 2.240 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000423138710 377037939 /nfs/dbraw/zinc/03/79/39/377037939.db2.gz JWRDOAFJDLJNLX-IIAWOOMASA-N 2 1 291.414 2.240 20 0 CEADMP C[C@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000423090175 376984237 /nfs/dbraw/zinc/98/42/37/376984237.db2.gz UTDNCMDLUFYZIY-FQXVJMBOSA-N 2 1 288.435 2.273 20 0 CEADMP COC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423091916 376984801 /nfs/dbraw/zinc/98/48/01/376984801.db2.gz ZPDFGANSFYZRBC-YGRLFVJLSA-N 2 1 268.788 2.225 20 0 CEADMP CS[C@@H]1CC[NH+](C[C@@H](C)C[N@@H+]2CC[C@H](SC)C2)C1 ZINC000562723159 376985834 /nfs/dbraw/zinc/98/58/34/376985834.db2.gz PSGMLFYKPOBTAN-ZSOGYDGISA-N 2 1 288.526 2.497 20 0 CEADMP COC[C@H](CCC[NH3+])NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423092994 376987003 /nfs/dbraw/zinc/98/70/03/376987003.db2.gz FDCBJHJWRPIODV-RDJZCZTQSA-N 2 1 297.487 2.127 20 0 CEADMP COC[C@H](CCC[NH3+])NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000423092994 376987007 /nfs/dbraw/zinc/98/70/07/376987007.db2.gz FDCBJHJWRPIODV-RDJZCZTQSA-N 2 1 297.487 2.127 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CSC1(C)C ZINC000423098502 376991131 /nfs/dbraw/zinc/99/11/31/376991131.db2.gz CYDTWCIAVJBSAN-IACUBPJLSA-N 2 1 264.438 2.429 20 0 CEADMP CCOc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1Cl ZINC000423098005 376991484 /nfs/dbraw/zinc/99/14/84/376991484.db2.gz BYMRJJRJVRPJEJ-JTQLQIEISA-N 2 1 268.788 2.436 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)[C@@H]1CCCC[NH2+]1 ZINC000423103611 376994785 /nfs/dbraw/zinc/99/47/85/376994785.db2.gz LJKGIQDCTADZLI-DOMZBBRYSA-N 2 1 272.396 2.226 20 0 CEADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CC[NH2+]C1 ZINC000423205586 377122099 /nfs/dbraw/zinc/12/20/99/377122099.db2.gz CCRKFEHHSSLIFK-MNOVXSKESA-N 2 1 254.324 2.237 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423169871 377077417 /nfs/dbraw/zinc/07/74/17/377077417.db2.gz WSMHEJZJQJAXKJ-YJBOKZPZSA-N 3 1 289.467 2.409 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423169871 377077423 /nfs/dbraw/zinc/07/74/23/377077423.db2.gz WSMHEJZJQJAXKJ-YJBOKZPZSA-N 2 1 289.467 2.409 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423169871 377077434 /nfs/dbraw/zinc/07/74/34/377077434.db2.gz WSMHEJZJQJAXKJ-YJBOKZPZSA-N 2 1 289.467 2.409 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c(C)n1 ZINC000423182131 377094275 /nfs/dbraw/zinc/09/42/75/377094275.db2.gz DUXWAKYOIVMNSN-ZDUSSCGKSA-N 2 1 299.422 2.319 20 0 CEADMP F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423190490 377105058 /nfs/dbraw/zinc/10/50/58/377105058.db2.gz RVKDXHRPGZPVAC-JARUQAPTSA-N 2 1 270.392 2.014 20 0 CEADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000423220744 377137427 /nfs/dbraw/zinc/13/74/27/377137427.db2.gz YMPAMINFHBOAID-KFWWJZLASA-N 2 1 259.397 2.368 20 0 CEADMP C[C@@H](NCC[C@H](C)[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423222808 377138572 /nfs/dbraw/zinc/13/85/72/377138572.db2.gz CSWOSWQBYABIFK-UXLLHSPISA-N 2 1 275.440 2.224 20 0 CEADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423222808 377138577 /nfs/dbraw/zinc/13/85/77/377138577.db2.gz CSWOSWQBYABIFK-UXLLHSPISA-N 3 1 275.440 2.224 20 0 CEADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423222808 377138580 /nfs/dbraw/zinc/13/85/80/377138580.db2.gz CSWOSWQBYABIFK-UXLLHSPISA-N 3 1 275.440 2.224 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(C)nc1C(F)F ZINC000291260223 377146158 /nfs/dbraw/zinc/14/61/58/377146158.db2.gz SFLKLYPDYGDSDZ-SNVBAGLBSA-N 2 1 297.353 2.289 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C12CCCC2 ZINC000423245174 377164372 /nfs/dbraw/zinc/16/43/72/377164372.db2.gz YGXAFKRPMJOFDV-HZSPNIEDSA-N 2 1 252.402 2.066 20 0 CEADMP CC[NH2+]CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423245329 377165412 /nfs/dbraw/zinc/16/54/12/377165412.db2.gz MHFUPDHEGJWVCK-WBVHZDCISA-N 2 1 275.440 2.096 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000423249221 377167653 /nfs/dbraw/zinc/16/76/53/377167653.db2.gz RYYWRNGNDINGRH-OLZOCXBDSA-N 2 1 280.412 2.395 20 0 CEADMP C[NH2+]C[C@@H](C)CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423274620 377198139 /nfs/dbraw/zinc/19/81/39/377198139.db2.gz MEGJTOPZJYADKI-CABCVRRESA-N 2 1 293.455 2.133 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(C(=O)OC)cc1 ZINC000423282790 377209553 /nfs/dbraw/zinc/20/95/53/377209553.db2.gz WHVRRRGXTLMGEJ-HUUCEWRRSA-N 2 1 278.396 2.497 20 0 CEADMP COc1cc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc(OC)c1OC ZINC000423288027 377217669 /nfs/dbraw/zinc/21/76/69/377217669.db2.gz PZJYTNSGPFWYHS-JTQLQIEISA-N 2 1 282.384 2.100 20 0 CEADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CCC[NH2+]C1)O[C@@H](C)C2 ZINC000563422143 377219391 /nfs/dbraw/zinc/21/93/91/377219391.db2.gz VAFQTPJRSMYYLL-QWHCGFSZSA-N 2 1 290.407 2.108 20 0 CEADMP C[C@@H]([NH3+])c1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423291826 377222873 /nfs/dbraw/zinc/22/28/73/377222873.db2.gz JZNVKBDXIOHWPA-YGOACVGDSA-N 2 1 259.397 2.079 20 0 CEADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC2C[NH2+]C2)c1 ZINC000423301623 377230343 /nfs/dbraw/zinc/23/03/43/377230343.db2.gz ICHPVLVDBDJVJZ-JTQLQIEISA-N 2 1 270.323 2.466 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000423303420 377231517 /nfs/dbraw/zinc/23/15/17/377231517.db2.gz XBLQPAOQBLRGSJ-YPMHNXCESA-N 2 1 291.395 2.186 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423304976 377234202 /nfs/dbraw/zinc/23/42/02/377234202.db2.gz ZUXDZJBOKBSJFZ-AAVRWANBSA-N 2 1 252.402 2.051 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000423304809 377235368 /nfs/dbraw/zinc/23/53/68/377235368.db2.gz ZNXNUKPSAPBJEY-KGLIPLIRSA-N 2 1 252.406 2.015 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000423313703 377242831 /nfs/dbraw/zinc/24/28/31/377242831.db2.gz XGCOWBCHTFAGRE-BBRMVZONSA-N 2 1 255.365 2.355 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH3+])CCC1 ZINC000423315843 377244801 /nfs/dbraw/zinc/24/48/01/377244801.db2.gz BCAXDNUPIVXYIY-DOTOQJQBSA-N 2 1 287.451 2.368 20 0 CEADMP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@H](C)C[NH3+])c2ccccc21 ZINC000423319892 377250821 /nfs/dbraw/zinc/25/08/21/377250821.db2.gz FXZBHIGWXAQYEM-UGFHNGPFSA-N 2 1 276.380 2.105 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc(N2CCCC2=O)c1 ZINC000423321884 377253488 /nfs/dbraw/zinc/25/34/88/377253488.db2.gz HZPBOJFXDGIWFD-CYBMUJFWSA-N 2 1 287.407 2.345 20 0 CEADMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc2c(c1)OCCO2 ZINC000423326140 377257290 /nfs/dbraw/zinc/25/72/90/377257290.db2.gz QOPNURUCCQKSRJ-KBPBESRZSA-N 2 1 276.380 2.236 20 0 CEADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2c(c1)OCCO2 ZINC000423277829 377202874 /nfs/dbraw/zinc/20/28/74/377202874.db2.gz OZSUICQZAHUTAZ-ZIAGYGMSSA-N 2 1 276.380 2.236 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423277358 377203312 /nfs/dbraw/zinc/20/33/12/377203312.db2.gz PKMIBYMMHOBDFO-DJIMGWMZSA-N 2 1 275.440 2.222 20 0 CEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423279646 377204931 /nfs/dbraw/zinc/20/49/31/377204931.db2.gz RWDJDXNNZWHZKG-BONVTDFDSA-N 2 1 287.407 2.304 20 0 CEADMP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423280894 377207128 /nfs/dbraw/zinc/20/71/28/377207128.db2.gz TVUKSGITSJMJIN-KGLIPLIRSA-N 2 1 264.344 2.149 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]2CCCC[C@@H]12 ZINC000563919131 377318423 /nfs/dbraw/zinc/31/84/23/377318423.db2.gz NDEWSCVFVBPVLL-MXASKKJJSA-N 2 1 280.456 2.342 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]2CCCC[C@@H]12 ZINC000563919131 377318426 /nfs/dbraw/zinc/31/84/26/377318426.db2.gz NDEWSCVFVBPVLL-MXASKKJJSA-N 2 1 280.456 2.342 20 0 CEADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@@H]2CCCC[C@@H]12 ZINC000563919131 377318429 /nfs/dbraw/zinc/31/84/29/377318429.db2.gz NDEWSCVFVBPVLL-MXASKKJJSA-N 2 1 280.456 2.342 20 0 CEADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@@H]2CCCC[C@@H]12 ZINC000563919131 377318432 /nfs/dbraw/zinc/31/84/32/377318432.db2.gz NDEWSCVFVBPVLL-MXASKKJJSA-N 2 1 280.456 2.342 20 0 CEADMP COc1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000292765545 377272056 /nfs/dbraw/zinc/27/20/56/377272056.db2.gz JWRAJLWDHGGRDQ-QGZVFWFLSA-N 2 1 290.407 2.231 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)Cc3ccccc3)C2)C1 ZINC000292903349 377343055 /nfs/dbraw/zinc/34/30/55/377343055.db2.gz GUGYHEYFEXEUFH-MSOLQXFVSA-N 2 1 288.435 2.008 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)Cc3ccccc3)C2)C1 ZINC000292903349 377343060 /nfs/dbraw/zinc/34/30/60/377343060.db2.gz GUGYHEYFEXEUFH-MSOLQXFVSA-N 2 1 288.435 2.008 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)Cc3ccccc3)C2)C1 ZINC000292903349 377343072 /nfs/dbraw/zinc/34/30/72/377343072.db2.gz GUGYHEYFEXEUFH-MSOLQXFVSA-N 2 1 288.435 2.008 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000292914140 377349643 /nfs/dbraw/zinc/34/96/43/377349643.db2.gz HPPNOTZERDGNQY-INIZCTEOSA-N 2 1 277.412 2.178 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000564913183 377501506 /nfs/dbraw/zinc/50/15/06/377501506.db2.gz CYHIIZHHWFBTTO-BZUAXINKSA-N 2 1 295.471 2.131 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000427868343 377459235 /nfs/dbraw/zinc/45/92/35/377459235.db2.gz UOFSUZOJGDGUPJ-RBSFLKMASA-N 2 1 283.460 2.096 20 0 CEADMP Cc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C2CCC2)cc1 ZINC000427888327 377463700 /nfs/dbraw/zinc/46/37/00/377463700.db2.gz WNXADRVZODUUGC-QZTJIDSGSA-N 2 1 288.435 2.492 20 0 CEADMP Cc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C2CCC2)cc1 ZINC000427888327 377463708 /nfs/dbraw/zinc/46/37/08/377463708.db2.gz WNXADRVZODUUGC-QZTJIDSGSA-N 2 1 288.435 2.492 20 0 CEADMP CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000165959505 542179461 /nfs/dbraw/zinc/17/94/61/542179461.db2.gz AJPCBNNAMCSCAM-HZPDHXFCSA-N 2 1 279.472 2.467 20 0 CEADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000332299406 377564564 /nfs/dbraw/zinc/56/45/64/377564564.db2.gz KMLAZMIICRYANU-JKSUJKDBSA-N 2 1 297.487 2.125 20 0 CEADMP C[C@@H]1C[N@@H+](CCOC2CCCCCC2)CC[C@H]1[NH3+] ZINC000430921861 377565465 /nfs/dbraw/zinc/56/54/65/377565465.db2.gz VHLNWAAKAWGRMK-UKRRQHHQSA-N 2 1 254.418 2.395 20 0 CEADMP Cc1[nH+]ccn1CC[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000293449398 377570727 /nfs/dbraw/zinc/57/07/27/377570727.db2.gz VTOABGIMHBFTIB-UHFFFAOYSA-N 2 1 299.418 2.218 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C[NH+]1CCC(C)(C)C1 ZINC000565188626 377597542 /nfs/dbraw/zinc/59/75/42/377597542.db2.gz KOYDOEXEBLEPII-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000565188626 377597556 /nfs/dbraw/zinc/59/75/56/377597556.db2.gz KOYDOEXEBLEPII-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000565188626 377597562 /nfs/dbraw/zinc/59/75/62/377597562.db2.gz KOYDOEXEBLEPII-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431098174 377600028 /nfs/dbraw/zinc/60/00/28/377600028.db2.gz FRWFUWQWWPCHNR-WDEREUQCSA-N 2 1 266.389 2.274 20 0 CEADMP CCc1cnc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000166731292 542211446 /nfs/dbraw/zinc/21/14/46/542211446.db2.gz QWRFLWDYXNCHGF-CHWSQXEVSA-N 2 1 279.453 2.464 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cn2c1 ZINC000565226386 377617703 /nfs/dbraw/zinc/61/77/03/377617703.db2.gz KOMFUIHGKXEALS-CHWSQXEVSA-N 2 1 258.369 2.002 20 0 CEADMP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCC[C@H]4OCC[C@@H]43)CC[N@H+]2C1 ZINC000166856456 542212914 /nfs/dbraw/zinc/21/29/14/542212914.db2.gz VGWLBMGIJPWGFQ-DGXTUMSLSA-N 2 1 264.413 2.160 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CCCC2CCCCC2)CCCO1 ZINC000313350651 249393742 /nfs/dbraw/zinc/39/37/42/249393742.db2.gz VXTMZCQWCCFXMX-HNNXBMFYSA-N 2 1 254.418 2.397 20 0 CEADMP Cc1ccc2cc(C[N@@H+]3CCCO[C@@H](C[NH3+])C3)ccc2n1 ZINC000313353170 249394539 /nfs/dbraw/zinc/39/45/39/249394539.db2.gz OUEYJNAWQXFJII-INIZCTEOSA-N 2 1 285.391 2.093 20 0 CEADMP Cc1ccc2cc(C[N@H+]3CCCO[C@@H](C[NH3+])C3)ccc2n1 ZINC000313353170 249394543 /nfs/dbraw/zinc/39/45/43/249394543.db2.gz OUEYJNAWQXFJII-INIZCTEOSA-N 2 1 285.391 2.093 20 0 CEADMP CCCOc1cccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313349814 249394570 /nfs/dbraw/zinc/39/45/70/249394570.db2.gz JCYABJFAXOQYHA-INIZCTEOSA-N 2 1 278.396 2.025 20 0 CEADMP CCCOc1cccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313349814 249394574 /nfs/dbraw/zinc/39/45/74/249394574.db2.gz JCYABJFAXOQYHA-INIZCTEOSA-N 2 1 278.396 2.025 20 0 CEADMP CC(C)[NH2+]CCCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000566088422 377722113 /nfs/dbraw/zinc/72/21/13/377722113.db2.gz NFJDBEACNNRDMH-SJLPKXTDSA-N 2 1 289.467 2.485 20 0 CEADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000566088422 377722121 /nfs/dbraw/zinc/72/21/21/377722121.db2.gz NFJDBEACNNRDMH-SJLPKXTDSA-N 2 1 289.467 2.485 20 0 CEADMP Cc1cc(NC(=O)CC2CC[NH+](C)CC2)cn2cc[nH+]c12 ZINC000293791983 377759921 /nfs/dbraw/zinc/75/99/21/377759921.db2.gz CSPYQULXHMSXAD-UHFFFAOYSA-N 2 1 286.379 2.313 20 0 CEADMP CC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000293815358 377771239 /nfs/dbraw/zinc/77/12/39/377771239.db2.gz VVVAGVNQLOJLNC-VSZNYVQBSA-N 2 1 288.435 2.258 20 0 CEADMP C[NH2+]CCC[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000435877295 377812603 /nfs/dbraw/zinc/81/26/03/377812603.db2.gz PNWJAAZKVVLXOY-UHFFFAOYSA-N 2 1 284.350 2.418 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCOC2)C[C@H]1C ZINC000438101004 377883716 /nfs/dbraw/zinc/88/37/16/377883716.db2.gz NLPLFQQUNGJMCW-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CCOC2)C[C@H]1C ZINC000438101004 377883719 /nfs/dbraw/zinc/88/37/19/377883719.db2.gz NLPLFQQUNGJMCW-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2CCOC2)C[C@H]1C ZINC000438101004 377883725 /nfs/dbraw/zinc/88/37/25/377883725.db2.gz NLPLFQQUNGJMCW-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP COc1ccc(CC2CC[NH+](C[C@@H](C)[NH3+])CC2)cc1 ZINC000442665364 377978705 /nfs/dbraw/zinc/97/87/05/377978705.db2.gz OQTTZQKNQAVRFH-CYBMUJFWSA-N 2 1 262.397 2.297 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000442917058 378017664 /nfs/dbraw/zinc/01/76/64/378017664.db2.gz BTWOQSWOEUHZPO-AWEZNQCLSA-N 2 1 264.417 2.100 20 0 CEADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442756089 377990098 /nfs/dbraw/zinc/99/00/98/377990098.db2.gz DNISPYRAJWUPEK-IJLUTSLNSA-N 2 1 295.814 2.336 20 0 CEADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442756089 377990103 /nfs/dbraw/zinc/99/01/03/377990103.db2.gz DNISPYRAJWUPEK-IJLUTSLNSA-N 2 1 295.814 2.336 20 0 CEADMP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057805 378031435 /nfs/dbraw/zinc/03/14/35/378031435.db2.gz HZGSADFKFNFJBT-OLZOCXBDSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057801 378031625 /nfs/dbraw/zinc/03/16/25/378031625.db2.gz HZFJTBKWYGYRGP-QXSJWSMHSA-N 2 1 295.471 2.131 20 0 CEADMP FC1(F)CC(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000450429143 378411856 /nfs/dbraw/zinc/41/18/56/378411856.db2.gz KPNGRBKCWAJIHG-GFCCVEGCSA-N 2 1 258.356 2.449 20 0 CEADMP CCc1cc(NCCCCn2cc[nH+]c2C)cc[nH+]1 ZINC000450348981 378368840 /nfs/dbraw/zinc/36/88/40/378368840.db2.gz MTGOVMJCEOTONF-UHFFFAOYSA-N 2 1 258.369 2.463 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2CCC(=O)CC2)C1 ZINC000450451005 378424169 /nfs/dbraw/zinc/42/41/69/378424169.db2.gz IEAMHAFXJHSJQI-MRXNPFEDSA-N 2 1 278.440 2.409 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2CCC(=O)CC2)C1 ZINC000450451005 378424176 /nfs/dbraw/zinc/42/41/76/378424176.db2.gz IEAMHAFXJHSJQI-MRXNPFEDSA-N 2 1 278.440 2.409 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2CCC(=O)CC2)C1 ZINC000450451005 378424183 /nfs/dbraw/zinc/42/41/83/378424183.db2.gz IEAMHAFXJHSJQI-MRXNPFEDSA-N 2 1 278.440 2.409 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CCc2cscn2)C[C@H]1C ZINC000450467140 378432231 /nfs/dbraw/zinc/43/22/31/378432231.db2.gz KMZPWDCLBNKWDQ-TZMCWYRMSA-N 2 1 267.442 2.490 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2cscn2)C[C@H]1C ZINC000450467140 378432238 /nfs/dbraw/zinc/43/22/38/378432238.db2.gz KMZPWDCLBNKWDQ-TZMCWYRMSA-N 2 1 267.442 2.490 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cscn2)C[C@H]1C ZINC000450467140 378432248 /nfs/dbraw/zinc/43/22/48/378432248.db2.gz KMZPWDCLBNKWDQ-TZMCWYRMSA-N 2 1 267.442 2.490 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450474702 378437860 /nfs/dbraw/zinc/43/78/60/378437860.db2.gz RPJQZQXPMLJREJ-BQFCYCMXSA-N 2 1 290.451 2.425 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450474702 378437867 /nfs/dbraw/zinc/43/78/67/378437867.db2.gz RPJQZQXPMLJREJ-BQFCYCMXSA-N 2 1 290.451 2.425 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450474702 378437872 /nfs/dbraw/zinc/43/78/72/378437872.db2.gz RPJQZQXPMLJREJ-BQFCYCMXSA-N 2 1 290.451 2.425 20 0 CEADMP CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000450605472 378495707 /nfs/dbraw/zinc/49/57/07/378495707.db2.gz ZUYHXNDNUOKOMM-VNQPRFMTSA-N 2 1 266.429 2.096 20 0 CEADMP CCC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000450605472 378495712 /nfs/dbraw/zinc/49/57/12/378495712.db2.gz ZUYHXNDNUOKOMM-VNQPRFMTSA-N 2 1 266.429 2.096 20 0 CEADMP CCC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000450605472 378495716 /nfs/dbraw/zinc/49/57/16/378495716.db2.gz ZUYHXNDNUOKOMM-VNQPRFMTSA-N 2 1 266.429 2.096 20 0 CEADMP Cc1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c2ccccc2[nH+]1 ZINC000450796112 378585099 /nfs/dbraw/zinc/58/50/99/378585099.db2.gz VCVPPIRIAXLQEU-GASCZTMLSA-N 2 1 297.402 2.240 20 0 CEADMP COCC[NH+]1CCC([NH2+]Cc2csc(C)c2)CC1 ZINC000296561910 378576705 /nfs/dbraw/zinc/57/67/05/378576705.db2.gz VHOKFCMVHMMYQH-UHFFFAOYSA-N 2 1 268.426 2.257 20 0 CEADMP CC(C)[C@@H]1CN(CC[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000450838703 378606836 /nfs/dbraw/zinc/60/68/36/378606836.db2.gz AXVWQXGUVAPVBN-SFHVURJKSA-N 2 1 289.467 2.390 20 0 CEADMP CC(C)[C@@H]1CN(CC[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000450838703 378606842 /nfs/dbraw/zinc/60/68/42/378606842.db2.gz AXVWQXGUVAPVBN-SFHVURJKSA-N 2 1 289.467 2.390 20 0 CEADMP CCc1nc(C)cc(NCC[N@H+]2CCCC2(C)C)n1 ZINC000450949317 378656239 /nfs/dbraw/zinc/65/62/39/378656239.db2.gz JJMOBUASDUIYLA-UHFFFAOYSA-N 2 1 262.401 2.056 20 0 CEADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccncc1 ZINC000453095978 378801002 /nfs/dbraw/zinc/80/10/02/378801002.db2.gz HUXKFTRMSHZRKZ-QGZVFWFLSA-N 2 1 290.455 2.150 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000266217499 190240662 /nfs/dbraw/zinc/24/06/62/190240662.db2.gz PJNUZKIADYFXRX-LBPRGKRZSA-N 2 1 273.384 2.126 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000453117045 378809273 /nfs/dbraw/zinc/80/92/73/378809273.db2.gz ULDWCYAGRJIAMV-SJORKVTESA-N 2 1 291.439 2.359 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453118049 378809389 /nfs/dbraw/zinc/80/93/89/378809389.db2.gz VBMFGAUGUJKZCG-DLBZAZTESA-N 2 1 280.456 2.392 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000346824689 218023968 /nfs/dbraw/zinc/02/39/68/218023968.db2.gz CMWJDDFJEJDEBV-YUTCNCBUSA-N 2 1 292.379 2.016 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000346824689 218023970 /nfs/dbraw/zinc/02/39/70/218023970.db2.gz CMWJDDFJEJDEBV-YUTCNCBUSA-N 2 1 292.379 2.016 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)n2c1 ZINC000346821911 218025476 /nfs/dbraw/zinc/02/54/76/218025476.db2.gz DTJSTIQIJSSYCR-CWRNSKLLSA-N 2 1 284.407 2.202 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453161565 378821623 /nfs/dbraw/zinc/82/16/23/378821623.db2.gz IUPHUCXNNWWLHK-DDBAPUKQSA-N 2 1 288.435 2.400 20 0 CEADMP CCc1nccn1[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346848573 218035451 /nfs/dbraw/zinc/03/54/51/218035451.db2.gz FGNHIJJKVLVMHU-CABCVRRESA-N 2 1 276.428 2.082 20 0 CEADMP Cc1cccn2c(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cnc12 ZINC000346858708 218039411 /nfs/dbraw/zinc/03/94/11/218039411.db2.gz RQYFPKUPONGCQA-IMJJTQAJSA-N 2 1 284.407 2.202 20 0 CEADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000453386734 378881454 /nfs/dbraw/zinc/88/14/54/378881454.db2.gz PCWBLJYVIUDHSA-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cnn(C)c1 ZINC000453379019 378879327 /nfs/dbraw/zinc/87/93/27/378879327.db2.gz ZXHFFFPICXYPIV-DKUMPPAJSA-N 2 1 262.401 2.086 20 0 CEADMP COC(=O)c1occc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453601777 378917582 /nfs/dbraw/zinc/91/75/82/378917582.db2.gz VUQQAZNRTAHBKO-UHFFFAOYSA-N 2 1 280.368 2.030 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000347031744 218097986 /nfs/dbraw/zinc/09/79/86/218097986.db2.gz ANTYJISVVSVAAG-GFCCVEGCSA-N 2 1 290.436 2.190 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000347031744 218097988 /nfs/dbraw/zinc/09/79/88/218097988.db2.gz ANTYJISVVSVAAG-GFCCVEGCSA-N 2 1 290.436 2.190 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)CC[C@H]1[NH3+] ZINC000347042767 218102972 /nfs/dbraw/zinc/10/29/72/218102972.db2.gz MCLROPMFZYKIHS-GXFFZTMASA-N 2 1 270.323 2.457 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000347047919 218104205 /nfs/dbraw/zinc/10/42/05/218104205.db2.gz PBEFGRMOVODBEB-GOEBONIOSA-N 2 1 284.407 2.432 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000347046536 218104917 /nfs/dbraw/zinc/10/49/17/218104917.db2.gz OOWUBJWWVWROFM-RFMOXSJOSA-N 2 1 252.308 2.259 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000347046536 218104919 /nfs/dbraw/zinc/10/49/19/218104919.db2.gz OOWUBJWWVWROFM-RFMOXSJOSA-N 2 1 252.308 2.259 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000347111566 218124351 /nfs/dbraw/zinc/12/43/51/218124351.db2.gz QVTXDPCACIPDKI-INIZCTEOSA-N 2 1 292.423 2.143 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000347111566 218124354 /nfs/dbraw/zinc/12/43/54/218124354.db2.gz QVTXDPCACIPDKI-INIZCTEOSA-N 2 1 292.423 2.143 20 0 CEADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](C[NH3+])C3)s2)o1 ZINC000347115301 218125639 /nfs/dbraw/zinc/12/56/39/218125639.db2.gz SZHWMUAAQMOEKA-LLVKDONJSA-N 2 1 277.393 2.492 20 0 CEADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](C[NH3+])C3)s2)o1 ZINC000347115301 218125641 /nfs/dbraw/zinc/12/56/41/218125641.db2.gz SZHWMUAAQMOEKA-LLVKDONJSA-N 2 1 277.393 2.492 20 0 CEADMP COc1c(C)cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1C ZINC000347115645 218125690 /nfs/dbraw/zinc/12/56/90/218125690.db2.gz UWBPWGOAGHEJHB-AWEZNQCLSA-N 2 1 262.397 2.483 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000347114092 218126021 /nfs/dbraw/zinc/12/60/21/218126021.db2.gz SAUQPXZOIRDVQP-LBPRGKRZSA-N 2 1 288.420 2.246 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000347114092 218126022 /nfs/dbraw/zinc/12/60/22/218126022.db2.gz SAUQPXZOIRDVQP-LBPRGKRZSA-N 2 1 288.420 2.246 20 0 CEADMP CCCOc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1OC ZINC000347180519 218146434 /nfs/dbraw/zinc/14/64/34/218146434.db2.gz USIVUZHXOXNTAW-AWEZNQCLSA-N 2 1 278.396 2.265 20 0 CEADMP CCCOc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1OC ZINC000347180519 218146435 /nfs/dbraw/zinc/14/64/35/218146435.db2.gz USIVUZHXOXNTAW-AWEZNQCLSA-N 2 1 278.396 2.265 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2sccc2OC)C1 ZINC000347178229 218147133 /nfs/dbraw/zinc/14/71/33/218147133.db2.gz SJHMGAMOUQZYNF-NSHDSACASA-N 2 1 254.399 2.188 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2sccc2OC)C1 ZINC000347178229 218147136 /nfs/dbraw/zinc/14/71/36/218147136.db2.gz SJHMGAMOUQZYNF-NSHDSACASA-N 2 1 254.399 2.188 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCC2CCOCC2)CC[N@H+]1C ZINC000347412078 218225877 /nfs/dbraw/zinc/22/58/77/218225877.db2.gz GKOZOSRQTDWVTB-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+]C(C2CC2)C2CC2)CCCO1 ZINC000514648539 379135143 /nfs/dbraw/zinc/13/51/43/379135143.db2.gz ZHOQQONXQQLFKI-ZDUSSCGKSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C(C2CC2)C2CC2)CCCO1 ZINC000514648539 379135151 /nfs/dbraw/zinc/13/51/51/379135151.db2.gz ZHOQQONXQQLFKI-ZDUSSCGKSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@@H]1CCC[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000514908571 379160569 /nfs/dbraw/zinc/16/05/69/379160569.db2.gz VWXCISKKOUBAHW-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(F)c1 ZINC000299931275 379146643 /nfs/dbraw/zinc/14/66/43/379146643.db2.gz ARWZCDHJKALHFW-PEYYIBSZSA-N 2 1 278.371 2.394 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(F)c1 ZINC000299931901 379146823 /nfs/dbraw/zinc/14/68/23/379146823.db2.gz ORQPITKRLVLVIS-RYUDHWBXSA-N 2 1 266.360 2.394 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(F)c1 ZINC000299931901 379146826 /nfs/dbraw/zinc/14/68/26/379146826.db2.gz ORQPITKRLVLVIS-RYUDHWBXSA-N 2 1 266.360 2.394 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000180442326 542264546 /nfs/dbraw/zinc/26/45/46/542264546.db2.gz AOGXHVARLOZNIN-GHMZBOCLSA-N 2 1 261.373 2.210 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000347518494 218261692 /nfs/dbraw/zinc/26/16/92/218261692.db2.gz IGANCEGQVAJLIM-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000515496901 379225814 /nfs/dbraw/zinc/22/58/14/379225814.db2.gz RGFOPQLPFBPYPK-GXTWGEPZSA-N 2 1 268.426 2.101 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000515496901 379225827 /nfs/dbraw/zinc/22/58/27/379225827.db2.gz RGFOPQLPFBPYPK-GXTWGEPZSA-N 2 1 268.426 2.101 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCC2CCC2)[C@H](C)C1 ZINC000516696299 379305008 /nfs/dbraw/zinc/30/50/08/379305008.db2.gz VZXZVNYDWYWNPD-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP c1cn(-c2ccccc2)c(C[NH2+][C@@H]2CCc3[nH]cnc3C2)n1 ZINC000518445441 379383743 /nfs/dbraw/zinc/38/37/43/379383743.db2.gz KKJUYFDTSXNEGO-CYBMUJFWSA-N 2 1 293.374 2.243 20 0 CEADMP Cc1ccnc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000347600508 218285860 /nfs/dbraw/zinc/28/58/60/218285860.db2.gz UYHRYYUZEQSLBH-UHFFFAOYSA-N 2 1 276.428 2.339 20 0 CEADMP CCc1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000302396615 379367197 /nfs/dbraw/zinc/36/71/97/379367197.db2.gz JDPVZLBPCDUEEW-AWEZNQCLSA-N 2 1 299.418 2.300 20 0 CEADMP Cc1[nH+]cc(CNCCC[N@H+](C)C2CCCCC2)n1C ZINC000521463962 379533941 /nfs/dbraw/zinc/53/39/41/379533941.db2.gz HCNHLWOJRPCCPM-UHFFFAOYSA-N 2 1 278.444 2.473 20 0 CEADMP Cc1[nH+]cc(CNCCC[N@@H+](C)C2CCCCC2)n1C ZINC000521463962 379533949 /nfs/dbraw/zinc/53/39/49/379533949.db2.gz HCNHLWOJRPCCPM-UHFFFAOYSA-N 2 1 278.444 2.473 20 0 CEADMP CCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)n1 ZINC000266908204 190289409 /nfs/dbraw/zinc/28/94/09/190289409.db2.gz IIEGDYGNFHBPLW-GHMZBOCLSA-N 2 1 275.356 2.296 20 0 CEADMP CCc1noc([C@@H](C)[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)n1 ZINC000266908204 190289410 /nfs/dbraw/zinc/28/94/10/190289410.db2.gz IIEGDYGNFHBPLW-GHMZBOCLSA-N 2 1 275.356 2.296 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266906340 190289646 /nfs/dbraw/zinc/28/96/46/190289646.db2.gz HREAJHCPKULGNE-UONOGXRCSA-N 2 1 292.427 2.284 20 0 CEADMP CCCCCNC(=O)[C@H](C)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266906340 190289647 /nfs/dbraw/zinc/28/96/47/190289647.db2.gz HREAJHCPKULGNE-UONOGXRCSA-N 2 1 292.427 2.284 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000305658880 379726260 /nfs/dbraw/zinc/72/62/60/379726260.db2.gz XFIIJXVHQCWWGS-GJZGRUSLSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000305658880 379726264 /nfs/dbraw/zinc/72/62/64/379726264.db2.gz XFIIJXVHQCWWGS-GJZGRUSLSA-N 2 1 265.401 2.065 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2CCC(=O)CC2)C1 ZINC000347729025 218336762 /nfs/dbraw/zinc/33/67/62/218336762.db2.gz DQYICDHTKKGTIS-OAHLLOKOSA-N 2 1 266.429 2.409 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2CCC(=O)CC2)C1 ZINC000347729025 218336764 /nfs/dbraw/zinc/33/67/64/218336764.db2.gz DQYICDHTKKGTIS-OAHLLOKOSA-N 2 1 266.429 2.409 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2CCC(=O)CC2)C1 ZINC000347729025 218336766 /nfs/dbraw/zinc/33/67/66/218336766.db2.gz DQYICDHTKKGTIS-OAHLLOKOSA-N 2 1 266.429 2.409 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000528382188 379954739 /nfs/dbraw/zinc/95/47/39/379954739.db2.gz PBMRMZKTJDJCCF-NVXWUHKLSA-N 2 1 294.414 2.267 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(C)c1OC ZINC000347860591 218382550 /nfs/dbraw/zinc/38/25/50/218382550.db2.gz HOANGSGGSJMQPF-CQSZACIVSA-N 2 1 292.423 2.396 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(C)c1OC ZINC000347860591 218382552 /nfs/dbraw/zinc/38/25/52/218382552.db2.gz HOANGSGGSJMQPF-CQSZACIVSA-N 2 1 292.423 2.396 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2cccnc2OC)C[C@@H]1C ZINC000488467374 380098158 /nfs/dbraw/zinc/09/81/58/380098158.db2.gz WEJFETOZOVMJGO-ZFWWWQNUSA-N 2 1 277.412 2.395 20 0 CEADMP CC[C@H](C)c1nc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)n[nH]1 ZINC000488465515 380098352 /nfs/dbraw/zinc/09/83/52/380098352.db2.gz SZUSXCDKMWNLPC-QNWHQSFQSA-N 2 1 279.432 2.452 20 0 CEADMP CC[C@H](C)c1nc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)n[nH]1 ZINC000488465515 380098368 /nfs/dbraw/zinc/09/83/68/380098368.db2.gz SZUSXCDKMWNLPC-QNWHQSFQSA-N 2 1 279.432 2.452 20 0 CEADMP CCc1cc(N2CC[N@@H+](C)C[C@H]2C(C)C)nc(C)n1 ZINC000542948976 380324790 /nfs/dbraw/zinc/32/47/90/380324790.db2.gz ONBOUYPFRUTEQB-AWEZNQCLSA-N 2 1 262.401 2.124 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@]2(O)CCN(C)C2)cc1Cl ZINC000545866600 380392388 /nfs/dbraw/zinc/39/23/88/380392388.db2.gz DPWDBAOTLBIUES-XHDPSFHLSA-N 2 1 298.814 2.066 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492134413 380461079 /nfs/dbraw/zinc/46/10/79/380461079.db2.gz ORGUIXBBTDGNKJ-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492134413 380461086 /nfs/dbraw/zinc/46/10/86/380461086.db2.gz ORGUIXBBTDGNKJ-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492134413 380461089 /nfs/dbraw/zinc/46/10/89/380461089.db2.gz ORGUIXBBTDGNKJ-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492134413 380461094 /nfs/dbraw/zinc/46/10/94/380461094.db2.gz ORGUIXBBTDGNKJ-ZIAGYGMSSA-N 2 1 299.459 2.173 20 0 CEADMP CCC[NH+]1CCC([N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000334531011 380542702 /nfs/dbraw/zinc/54/27/02/380542702.db2.gz NGPQQKVMKFRNNG-MRXNPFEDSA-N 2 1 266.429 2.363 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000279197085 194327966 /nfs/dbraw/zinc/32/79/66/194327966.db2.gz UNYCBCVWBURSKL-HNNXBMFYSA-N 2 1 284.407 2.304 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000279197085 194327968 /nfs/dbraw/zinc/32/79/68/194327968.db2.gz UNYCBCVWBURSKL-HNNXBMFYSA-N 2 1 284.407 2.304 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000556049106 380865179 /nfs/dbraw/zinc/86/51/79/380865179.db2.gz UXNKTGSXJOAQCO-AWEZNQCLSA-N 2 1 272.396 2.383 20 0 CEADMP CCc1cc(NCc2c[nH+]c3n2CCCC3)cc[nH+]1 ZINC000556214178 380884646 /nfs/dbraw/zinc/88/46/46/380884646.db2.gz HDWKWMCFKZEJAL-UHFFFAOYSA-N 2 1 256.353 2.211 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)C1 ZINC000334843066 207172089 /nfs/dbraw/zinc/17/20/89/207172089.db2.gz ATDSTIAXEYVXKP-NWDGAFQWSA-N 2 1 278.787 2.347 20 0 CEADMP Fc1ccc2c(c1)C[N@H+](CC[C@@H]1CC[NH2+]C1)CCO2 ZINC000334967903 207382641 /nfs/dbraw/zinc/38/26/41/207382641.db2.gz LHQKUPRQRANRKS-LBPRGKRZSA-N 2 1 264.344 2.020 20 0 CEADMP C[NH2+][C@H](C)Cc1noc([C@@H]([NH3+])CC2CCCCC2)n1 ZINC000414490541 533005840 /nfs/dbraw/zinc/00/58/40/533005840.db2.gz OKNPLSKOJYWAKK-PWSUYJOCSA-N 2 1 266.389 2.190 20 0 CEADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289305996 197291285 /nfs/dbraw/zinc/29/12/85/197291285.db2.gz DJHLNOSUGWBOJZ-UKRRQHHQSA-N 2 1 262.397 2.101 20 0 CEADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289305996 197291286 /nfs/dbraw/zinc/29/12/86/197291286.db2.gz DJHLNOSUGWBOJZ-UKRRQHHQSA-N 2 1 262.397 2.101 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184232913 285203589 /nfs/dbraw/zinc/20/35/89/285203589.db2.gz JSZQNEWBCWPXPM-HNNXBMFYSA-N 2 1 295.471 2.276 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000288526087 197103362 /nfs/dbraw/zinc/10/33/62/197103362.db2.gz JWOAABSWWNVGFA-AWEZNQCLSA-N 2 1 283.375 2.413 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000354383241 220710368 /nfs/dbraw/zinc/71/03/68/220710368.db2.gz GPNWMIXSPKBPEY-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CCCC1 ZINC000346616913 285243063 /nfs/dbraw/zinc/24/30/63/285243063.db2.gz FTJVKQHENCJHNO-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1(C)CC1 ZINC000345786131 285275893 /nfs/dbraw/zinc/27/58/93/285275893.db2.gz ZMCVRYRGYRVQKR-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP COC(=O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000411470133 533438836 /nfs/dbraw/zinc/43/88/36/533438836.db2.gz BSVPVGGOGFQPDE-LBPRGKRZSA-N 2 1 287.363 2.394 20 0 CEADMP CCC[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000300410531 394455540 /nfs/dbraw/zinc/45/55/40/394455540.db2.gz IHTVKXFRMZBOKD-KBUPBQIOSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)CCCO ZINC000300415426 394456315 /nfs/dbraw/zinc/45/63/15/394456315.db2.gz VUOZQBHPLIFLRR-MGPQQGTHSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccncc2)C[C@H]1n1ccnc1 ZINC000246257008 394512980 /nfs/dbraw/zinc/51/29/80/394512980.db2.gz KGWQJUYUIFCMFE-DZGCQCFKSA-N 2 1 256.353 2.361 20 0 CEADMP CCC[N@H+](CC(=O)NC1CCCCCC1)C1CC[NH2+]CC1 ZINC000037539206 394496752 /nfs/dbraw/zinc/49/67/52/394496752.db2.gz VYAHDGOPFAZJRF-UHFFFAOYSA-N 2 1 295.471 2.289 20 0 CEADMP CCC[N@@H+](CC(=O)NC1CCCCCC1)C1CC[NH2+]CC1 ZINC000037539206 394496761 /nfs/dbraw/zinc/49/67/61/394496761.db2.gz VYAHDGOPFAZJRF-UHFFFAOYSA-N 2 1 295.471 2.289 20 0 CEADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252560794 394572067 /nfs/dbraw/zinc/57/20/67/394572067.db2.gz VZRQQZXVRKWSRZ-ZVDSWSACSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252560794 394572069 /nfs/dbraw/zinc/57/20/69/394572069.db2.gz VZRQQZXVRKWSRZ-ZVDSWSACSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313348399 394542755 /nfs/dbraw/zinc/54/27/55/394542755.db2.gz UDIYDQVFUIGULK-CABCVRRESA-N 2 1 266.360 2.326 20 0 CEADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313348399 394542758 /nfs/dbraw/zinc/54/27/58/394542758.db2.gz UDIYDQVFUIGULK-CABCVRRESA-N 2 1 266.360 2.326 20 0 CEADMP Cc1cc(C)cc(OCCC[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313351529 394543047 /nfs/dbraw/zinc/54/30/47/394543047.db2.gz WZHSLSMGDZUEGT-KRWDZBQOSA-N 2 1 292.423 2.122 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000049711288 394550180 /nfs/dbraw/zinc/55/01/80/394550180.db2.gz SZVJEFTZNMTDJZ-AAEUAGOBSA-N 2 1 264.369 2.015 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000049711288 394550181 /nfs/dbraw/zinc/55/01/81/394550181.db2.gz SZVJEFTZNMTDJZ-AAEUAGOBSA-N 2 1 264.369 2.015 20 0 CEADMP c1ccc(OCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000257679195 394596658 /nfs/dbraw/zinc/59/66/58/394596658.db2.gz KQINXMSZXWHYAG-INIZCTEOSA-N 2 1 260.381 2.141 20 0 CEADMP c1ccc(OCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000257679195 394596659 /nfs/dbraw/zinc/59/66/59/394596659.db2.gz KQINXMSZXWHYAG-INIZCTEOSA-N 2 1 260.381 2.141 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000261529113 394601752 /nfs/dbraw/zinc/60/17/52/394601752.db2.gz PEYGLBNTGPBYKM-RQJHMYQMSA-N 2 1 263.204 2.336 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccnc3CC2)CC[N@@H+]1C ZINC000421827999 394608001 /nfs/dbraw/zinc/60/80/01/394608001.db2.gz AMIHNRJOXPGDTN-KBMXLJTQSA-N 2 1 273.424 2.401 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccnc3CC2)CC[N@H+]1C ZINC000421827999 394608004 /nfs/dbraw/zinc/60/80/04/394608004.db2.gz AMIHNRJOXPGDTN-KBMXLJTQSA-N 2 1 273.424 2.401 20 0 CEADMP CCC(CC)(CC)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262107281 394613968 /nfs/dbraw/zinc/61/39/68/394613968.db2.gz JWGANXNSHHDTBI-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000421873213 394623827 /nfs/dbraw/zinc/62/38/27/394623827.db2.gz HORMIWKWHDKULD-IRKLFDGPSA-N 2 1 279.472 2.322 20 0 CEADMP CN1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000421873213 394623829 /nfs/dbraw/zinc/62/38/29/394623829.db2.gz HORMIWKWHDKULD-IRKLFDGPSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000421873214 394623911 /nfs/dbraw/zinc/62/39/11/394623911.db2.gz HORMIWKWHDKULD-SWHNLWLKSA-N 2 1 279.472 2.322 20 0 CEADMP CN1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@H]2CCC[C@H]21 ZINC000421873214 394623915 /nfs/dbraw/zinc/62/39/15/394623915.db2.gz HORMIWKWHDKULD-SWHNLWLKSA-N 2 1 279.472 2.322 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000356826883 394624297 /nfs/dbraw/zinc/62/42/97/394624297.db2.gz DTCBQYWMASNTBD-INIZCTEOSA-N 2 1 297.487 2.438 20 0 CEADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1CCCOC1 ZINC000356867751 394636463 /nfs/dbraw/zinc/63/64/63/394636463.db2.gz MYJHXFAJZLQRKA-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC2)[C@H](C)C1 ZINC000356879462 394641110 /nfs/dbraw/zinc/64/11/10/394641110.db2.gz TYAUURGRLOLSNC-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(N2CCCC2=O)c1 ZINC000422706047 394729864 /nfs/dbraw/zinc/72/98/64/394729864.db2.gz SSNCLFKFDDHVAT-OLZOCXBDSA-N 2 1 287.407 2.072 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422718788 394738215 /nfs/dbraw/zinc/73/82/15/394738215.db2.gz QBRKAGLGMKHVSR-OFQRWUPVSA-N 2 1 273.424 2.168 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422723251 394741082 /nfs/dbraw/zinc/74/10/82/394741082.db2.gz QQDNPDBGDJDYJM-GDBMZVCRSA-N 3 1 278.444 2.482 20 0 CEADMP CCc1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC000414356579 394741816 /nfs/dbraw/zinc/74/18/16/394741816.db2.gz FIQBCOBACODDHT-GOOCMWNKSA-N 2 1 274.412 2.144 20 0 CEADMP CCc1ccc([C@@H](C[NH2+][C@H](C)C2C[NH2+]C2)N(C)C)cc1 ZINC000422727518 394743193 /nfs/dbraw/zinc/74/31/93/394743193.db2.gz CUSXZJRKCXMMIU-CXAGYDPISA-N 2 1 275.440 2.049 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)CCO1 ZINC000356988052 394673226 /nfs/dbraw/zinc/67/32/26/394673226.db2.gz WFDXTKOSJAUABU-QXSJWSMHSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)CCO1 ZINC000356988052 394673229 /nfs/dbraw/zinc/67/32/29/394673229.db2.gz WFDXTKOSJAUABU-QXSJWSMHSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CCO1 ZINC000356988052 394673234 /nfs/dbraw/zinc/67/32/34/394673234.db2.gz WFDXTKOSJAUABU-QXSJWSMHSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CCO1 ZINC000356988052 394673236 /nfs/dbraw/zinc/67/32/36/394673236.db2.gz WFDXTKOSJAUABU-QXSJWSMHSA-N 2 1 266.429 2.218 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000414075291 394695259 /nfs/dbraw/zinc/69/52/59/394695259.db2.gz OYPDNHTXORODQF-BPUTZDHNSA-N 2 1 289.423 2.238 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)c1ccsc1 ZINC000269012477 394707008 /nfs/dbraw/zinc/70/70/08/394707008.db2.gz NGBCFKNXGGUCNO-RFHZTLPTSA-N 2 1 268.426 2.100 20 0 CEADMP CC(C)(CC[NH3+])[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000422558720 394709850 /nfs/dbraw/zinc/70/98/50/394709850.db2.gz ZNRLHXOROJCWGD-UHFFFAOYSA-N 2 1 267.320 2.379 20 0 CEADMP C[C@@H]1C[C@@H](C)N(Cc2ncc(C[NH+](C)C)s2)C[C@@H]1C[NH3+] ZINC000422561502 394710511 /nfs/dbraw/zinc/71/05/11/394710511.db2.gz LNZHOIWXMUEQJW-UPJWGTAASA-N 2 1 296.484 2.010 20 0 CEADMP CC[NH+]1CCC([NH2+]C[C@](C)(O)c2cccs2)CC1 ZINC000269060582 394710920 /nfs/dbraw/zinc/71/09/20/394710920.db2.gz UEIAPWHUOXRMCO-AWEZNQCLSA-N 2 1 268.426 2.030 20 0 CEADMP CCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)n1 ZINC000422561817 394711614 /nfs/dbraw/zinc/71/16/14/394711614.db2.gz NMIGARLGBTUPRK-IHRRRGAJSA-N 2 1 277.412 2.286 20 0 CEADMP CCOc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)n1 ZINC000422561817 394711617 /nfs/dbraw/zinc/71/16/17/394711617.db2.gz NMIGARLGBTUPRK-IHRRRGAJSA-N 2 1 277.412 2.286 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)c2ccccc21 ZINC000358250240 394713148 /nfs/dbraw/zinc/71/31/48/394713148.db2.gz LERNNWZEFAHYLP-COXVUDFISA-N 2 1 274.408 2.281 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c2ccccc21 ZINC000358250240 394713152 /nfs/dbraw/zinc/71/31/52/394713152.db2.gz LERNNWZEFAHYLP-COXVUDFISA-N 2 1 274.408 2.281 20 0 CEADMP CC(C)n1cc2c(n1)C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000358281947 394715836 /nfs/dbraw/zinc/71/58/36/394715836.db2.gz DNBQJLFGWZNNFX-KBMXLJTQSA-N 2 1 290.455 2.394 20 0 CEADMP CC(C)n1cc2c(n1)C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000358281947 394715839 /nfs/dbraw/zinc/71/58/39/394715839.db2.gz DNBQJLFGWZNNFX-KBMXLJTQSA-N 2 1 290.455 2.394 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000358302278 394716713 /nfs/dbraw/zinc/71/67/13/394716713.db2.gz QAGACSHDIZKFOU-TUVASFSCSA-N 2 1 266.429 2.406 20 0 CEADMP COC(=O)c1coc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414168363 394721338 /nfs/dbraw/zinc/72/13/38/394721338.db2.gz AEPQTMTVOGYXJX-STQMWFEESA-N 2 1 294.395 2.449 20 0 CEADMP COc1cccc(OCC[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422642311 394723141 /nfs/dbraw/zinc/72/31/41/394723141.db2.gz ZDZCENOIOWLAHY-KFWWJZLASA-N 2 1 292.423 2.379 20 0 CEADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccn(C)n1 ZINC000414199375 394728717 /nfs/dbraw/zinc/72/87/17/394728717.db2.gz WVNQFKNBNYMKIF-KGLIPLIRSA-N 2 1 264.417 2.193 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1CC([NH3+])C1 ZINC000414778917 394751047 /nfs/dbraw/zinc/75/10/47/394751047.db2.gz QTSLIRXQFRSCGP-UHFFFAOYSA-N 2 1 260.381 2.322 20 0 CEADMP C[C@H]([NH2+]Cc1cccc2c1OC(F)(F)O2)[C@@H]1CCC[NH2+]C1 ZINC000414822178 394752295 /nfs/dbraw/zinc/75/22/95/394752295.db2.gz MSIDYMFMYLFRIC-WDEREUQCSA-N 2 1 298.333 2.486 20 0 CEADMP COCCOc1cccc(C[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000414833813 394760334 /nfs/dbraw/zinc/76/03/34/394760334.db2.gz AYCZFYRFYVVEDB-UHFFFAOYSA-N 2 1 292.423 2.463 20 0 CEADMP CC(C)Cc1ncc(C[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000414835455 394761526 /nfs/dbraw/zinc/76/15/26/394761526.db2.gz UBNXWXNOGWVUEA-LBPRGKRZSA-N 2 1 267.442 2.431 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc(C)n1-c1ccccc1 ZINC000414837071 394762485 /nfs/dbraw/zinc/76/24/85/394762485.db2.gz KASAWYGHURJPLV-ZDUSSCGKSA-N 2 1 272.396 2.126 20 0 CEADMP Cc1cc(C[NH2+][C@@H](C[NH3+])CC(C)C)ccc1-n1cncn1 ZINC000414836231 394762514 /nfs/dbraw/zinc/76/25/14/394762514.db2.gz IHFKOOFFSCGGTR-OAHLLOKOSA-N 2 1 287.411 2.039 20 0 CEADMP c1nc(-c2ccccn2)sc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414836939 394762662 /nfs/dbraw/zinc/76/26/62/394762662.db2.gz VDBWKOLTAKBQCO-LBPRGKRZSA-N 2 1 288.420 2.294 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422764582 394767726 /nfs/dbraw/zinc/76/77/26/394767726.db2.gz PWHGNEUVEOKDFM-KFWWJZLASA-N 2 1 267.461 2.085 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000414858070 394775118 /nfs/dbraw/zinc/77/51/18/394775118.db2.gz HRJMVRBXQXJLEJ-UHFFFAOYSA-N 2 1 272.396 2.188 20 0 CEADMP NC1(C[NH2+]C2CCC(C[NH3+])CC2)CCCCCC1 ZINC000414864152 394777019 /nfs/dbraw/zinc/77/70/19/394777019.db2.gz YZRXDBPMLZTNJU-UHFFFAOYSA-N 2 1 253.434 2.145 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000414863328 394777133 /nfs/dbraw/zinc/77/71/33/394777133.db2.gz IKONGGTZBIAXRB-DZGCQCFKSA-N 2 1 262.397 2.358 20 0 CEADMP C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000414865786 394777977 /nfs/dbraw/zinc/77/79/77/394777977.db2.gz ZUMLNDDLNUXIBQ-HOCLYGCPSA-N 2 1 284.407 2.350 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422840426 394823683 /nfs/dbraw/zinc/82/36/83/394823683.db2.gz SWMPRYKYXJFRKF-BZNIZROVSA-N 2 1 275.371 2.437 20 0 CEADMP CC(C)[C@H]1C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)CCO1 ZINC000414870810 394779458 /nfs/dbraw/zinc/77/94/58/394779458.db2.gz CVXUTNXADHPLDA-DLBZAZTESA-N 2 1 291.439 2.355 20 0 CEADMP Oc1cccc(C[NH2+]CCCNCc2cccnc2)c1 ZINC000414874448 394782303 /nfs/dbraw/zinc/78/23/03/394782303.db2.gz HWQSKYGWXWRTPJ-UHFFFAOYSA-N 2 1 271.364 2.057 20 0 CEADMP COc1ccc(Br)c(C[NH2+]C[C@H](C)C[NH3+])c1 ZINC000414878178 394784586 /nfs/dbraw/zinc/78/45/86/394784586.db2.gz NZWRKNMBNZYBTG-SECBINFHSA-N 2 1 287.201 2.142 20 0 CEADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]CC2CC2)cc1 ZINC000414877995 394784716 /nfs/dbraw/zinc/78/47/16/394784716.db2.gz GSKLORZOBBNROV-HZPDHXFCSA-N 2 1 260.381 2.140 20 0 CEADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CC3 ZINC000335642412 394784740 /nfs/dbraw/zinc/78/47/40/394784740.db2.gz JSZCGQQIYGLCRP-QWHCGFSZSA-N 2 1 269.392 2.285 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC[NH2+]C1 ZINC000414883635 394786787 /nfs/dbraw/zinc/78/67/87/394786787.db2.gz NQVLZTMNKSOAGN-MRXNPFEDSA-N 2 1 275.440 2.096 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CC2([NH3+])CCC2)c1 ZINC000414883686 394786946 /nfs/dbraw/zinc/78/69/46/394786946.db2.gz NGEAYPMKHYSMLW-UHFFFAOYSA-N 2 1 270.380 2.356 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422797244 394793491 /nfs/dbraw/zinc/79/34/91/394793491.db2.gz LRHDLNPDRGEASV-OIISXLGYSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@@H](N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422798576 394794855 /nfs/dbraw/zinc/79/48/55/394794855.db2.gz RVXRNWGNFRIPJT-HYVNUMGLSA-N 2 1 279.472 2.371 20 0 CEADMP CC(C)c1ncc(C[NH2+]CC[C@H]2CCC[NH2+]2)s1 ZINC000414900625 394795965 /nfs/dbraw/zinc/79/59/65/394795965.db2.gz DTXNRYAMPRKVFD-LLVKDONJSA-N 2 1 253.415 2.498 20 0 CEADMP CCCn1nc(C)c(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1C ZINC000414905195 394797983 /nfs/dbraw/zinc/79/79/83/394797983.db2.gz OCWGJVYVJSIZDY-MRXNPFEDSA-N 2 1 278.444 2.389 20 0 CEADMP c1nn(-c2ccccc2)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414907527 394798674 /nfs/dbraw/zinc/79/86/74/394798674.db2.gz QLKQZHAPMNQUKT-OAHLLOKOSA-N 2 1 270.380 2.104 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414908470 394799845 /nfs/dbraw/zinc/79/98/45/394799845.db2.gz RXOMGQHGPKIXOX-OAHLLOKOSA-N 2 1 284.407 2.412 20 0 CEADMP C[C@@H](NCCc1[nH+]ccn1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422815287 394807376 /nfs/dbraw/zinc/80/73/76/394807376.db2.gz BGXNJXUCMAVXLK-NVXWUHKLSA-N 2 1 298.434 2.204 20 0 CEADMP C[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422815287 394807378 /nfs/dbraw/zinc/80/73/78/394807378.db2.gz BGXNJXUCMAVXLK-NVXWUHKLSA-N 2 1 298.434 2.204 20 0 CEADMP C[C@@H](NCC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422816968 394808206 /nfs/dbraw/zinc/80/82/06/394808206.db2.gz GNIIQGZPGCQRQL-PBHICJAKSA-N 2 1 293.430 2.378 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414940352 394813070 /nfs/dbraw/zinc/81/30/70/394813070.db2.gz XQGXFGSZZRENAF-YDHLFZDLSA-N 2 1 262.397 2.214 20 0 CEADMP CCc1cccc(F)c1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414940307 394813268 /nfs/dbraw/zinc/81/32/68/394813268.db2.gz KELYBJFRIWUOJR-NHYWBVRUSA-N 2 1 250.361 2.476 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000422825227 394813883 /nfs/dbraw/zinc/81/38/83/394813883.db2.gz PKRDHXMCAPVVET-PMPSAXMXSA-N 2 1 299.528 2.324 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC[NH2+]1 ZINC000414943881 394815222 /nfs/dbraw/zinc/81/52/22/394815222.db2.gz FWIQOJHWLISIQS-WFASDCNBSA-N 2 1 288.370 2.242 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000271190508 394750395 /nfs/dbraw/zinc/75/03/95/394750395.db2.gz PNWMOOAPWDRQAL-HNNXBMFYSA-N 2 1 262.397 2.387 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000271190508 394750401 /nfs/dbraw/zinc/75/04/01/394750401.db2.gz PNWMOOAPWDRQAL-HNNXBMFYSA-N 2 1 262.397 2.387 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C)CC1)CC2 ZINC000129473759 394866226 /nfs/dbraw/zinc/86/62/26/394866226.db2.gz RTCJKTCHFWAJII-MRXNPFEDSA-N 2 1 274.408 2.236 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)o1 ZINC000415055733 394867335 /nfs/dbraw/zinc/86/73/35/394867335.db2.gz OXLOWZUERLPVQY-BDJLRTHQSA-N 2 1 288.395 2.395 20 0 CEADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)CC2 ZINC000422945385 394867703 /nfs/dbraw/zinc/86/77/03/394867703.db2.gz UJXUCYVCJGWQFH-BPLDGKMQSA-N 2 1 276.428 2.051 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)CC[N@H+]1C ZINC000129575587 394869278 /nfs/dbraw/zinc/86/92/78/394869278.db2.gz ZLCVQUGWONCZIF-PMPSAXMXSA-N 2 1 291.439 2.489 20 0 CEADMP C[C@@H]1C[C@H](NCCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000129773753 394873067 /nfs/dbraw/zinc/87/30/67/394873067.db2.gz LUXLAPRAZLSFKN-BZUAXINKSA-N 3 1 267.461 2.323 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129773753 394873073 /nfs/dbraw/zinc/87/30/73/394873073.db2.gz LUXLAPRAZLSFKN-BZUAXINKSA-N 3 1 267.461 2.323 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129773753 394873079 /nfs/dbraw/zinc/87/30/79/394873079.db2.gz LUXLAPRAZLSFKN-BZUAXINKSA-N 3 1 267.461 2.323 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000336804174 394876467 /nfs/dbraw/zinc/87/64/67/394876467.db2.gz NBZZSDFVOHFQQJ-CQSZACIVSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000336804174 394876472 /nfs/dbraw/zinc/87/64/72/394876472.db2.gz NBZZSDFVOHFQQJ-CQSZACIVSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1ccc2nc(C[NH2+]C[C@@H]3CC[NH2+][C@@H](C)C3)[nH]c2c1 ZINC000415074741 394877347 /nfs/dbraw/zinc/87/73/47/394877347.db2.gz AEGKUCAYEUOAFP-QWHCGFSZSA-N 2 1 272.396 2.349 20 0 CEADMP CC(C)[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000361419243 394827749 /nfs/dbraw/zinc/82/77/49/394827749.db2.gz AGJDTBFVVYFSJU-OAHLLOKOSA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000361419243 394827752 /nfs/dbraw/zinc/82/77/52/394827752.db2.gz AGJDTBFVVYFSJU-OAHLLOKOSA-N 2 1 254.418 2.362 20 0 CEADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)N(C)c1ccccc1 ZINC000422854825 394830946 /nfs/dbraw/zinc/83/09/46/394830946.db2.gz DEIDGJWUATWRAI-FMKPAKJESA-N 2 1 261.413 2.241 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000415084941 394883000 /nfs/dbraw/zinc/88/30/00/394883000.db2.gz PGIOLBPCIWJRGZ-SWLSCSKDSA-N 2 1 275.396 2.265 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000361791762 394835546 /nfs/dbraw/zinc/83/55/46/394835546.db2.gz FDCMJEULUMJUBA-HYVNUMGLSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000361791762 394835549 /nfs/dbraw/zinc/83/55/49/394835549.db2.gz FDCMJEULUMJUBA-HYVNUMGLSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000361791762 394835553 /nfs/dbraw/zinc/83/55/53/394835553.db2.gz FDCMJEULUMJUBA-HYVNUMGLSA-N 2 1 279.472 2.181 20 0 CEADMP CCCOc1ccc(C[NH2+]C[C@@H]([NH3+])CC)cc1OC ZINC000414984705 394836577 /nfs/dbraw/zinc/83/65/77/394836577.db2.gz VNFJFCPBFINDSC-ZDUSSCGKSA-N 2 1 266.385 2.311 20 0 CEADMP CC(C)N1CCCC[C@@H]1C[N@H+]1CCC[C@](C)(O)CC1 ZINC000336254072 394837032 /nfs/dbraw/zinc/83/70/32/394837032.db2.gz KZJUYPJMPXNLNZ-CVEARBPZSA-N 2 1 268.445 2.486 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@](C)(O)CC1 ZINC000336254072 394837036 /nfs/dbraw/zinc/83/70/36/394837036.db2.gz KZJUYPJMPXNLNZ-CVEARBPZSA-N 2 1 268.445 2.486 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@](C)(O)CC1 ZINC000336254072 394837040 /nfs/dbraw/zinc/83/70/40/394837040.db2.gz KZJUYPJMPXNLNZ-CVEARBPZSA-N 2 1 268.445 2.486 20 0 CEADMP CC(C)[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000124277098 394837589 /nfs/dbraw/zinc/83/75/89/394837589.db2.gz YAHNDFXPXCHDCL-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](O)c1ccc(F)cc1 ZINC000124354404 394837762 /nfs/dbraw/zinc/83/77/62/394837762.db2.gz IKPYWAYEWRAJCP-APYUEPQZSA-N 2 1 280.387 2.320 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](O)c1ccc(F)cc1 ZINC000124354404 394837765 /nfs/dbraw/zinc/83/77/65/394837765.db2.gz IKPYWAYEWRAJCP-APYUEPQZSA-N 2 1 280.387 2.320 20 0 CEADMP CC[C@H](NC[C@H](C)[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422868944 394840515 /nfs/dbraw/zinc/84/05/15/394840515.db2.gz WGMYEZADYRUXJU-VGWMRTNUSA-N 2 1 267.461 2.370 20 0 CEADMP C[C@H](O)C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422873005 394842037 /nfs/dbraw/zinc/84/20/37/394842037.db2.gz JLYVAWQMSZPTMY-DIECFANBSA-N 2 1 276.424 2.271 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C[C@H](C)O)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422873007 394842860 /nfs/dbraw/zinc/84/28/60/394842860.db2.gz JLYVAWQMSZPTMY-HDEZJCGLSA-N 2 1 276.424 2.271 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422875289 394843261 /nfs/dbraw/zinc/84/32/61/394843261.db2.gz DQYDGYFSMPEHBB-VVLHAWIVSA-N 2 1 281.488 2.462 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422875289 394843268 /nfs/dbraw/zinc/84/32/68/394843268.db2.gz DQYDGYFSMPEHBB-VVLHAWIVSA-N 3 1 281.488 2.462 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422875289 394843271 /nfs/dbraw/zinc/84/32/71/394843271.db2.gz DQYDGYFSMPEHBB-VVLHAWIVSA-N 3 1 281.488 2.462 20 0 CEADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000279748353 394843285 /nfs/dbraw/zinc/84/32/85/394843285.db2.gz PTZXEYTWNCKVCD-BBRMVZONSA-N 2 1 262.397 2.446 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422874935 394843709 /nfs/dbraw/zinc/84/37/09/394843709.db2.gz DQDWGLOPRUMSHW-RRFJBIMHSA-N 3 1 255.450 2.356 20 0 CEADMP Cc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)c(OC(C)C)c1 ZINC000422880244 394847115 /nfs/dbraw/zinc/84/71/15/394847115.db2.gz WOOHZJWNYULGMO-CYBMUJFWSA-N 2 1 262.397 2.480 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422881721 394847219 /nfs/dbraw/zinc/84/72/19/394847219.db2.gz OCYRBURVYQYAKF-RYTJFDOTSA-N 3 1 281.488 2.462 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000415011620 394848250 /nfs/dbraw/zinc/84/82/50/394848250.db2.gz QWZDWJJMRVIMPI-ZJUUUORDSA-N 2 1 276.302 2.453 20 0 CEADMP CC[N@@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000422884402 394848950 /nfs/dbraw/zinc/84/89/50/394848950.db2.gz WSJDEJHYBYRTHP-XHSDSOJGSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422887480 394850199 /nfs/dbraw/zinc/85/01/99/394850199.db2.gz YVHJDOLLWMPIMH-SJJOOFSGSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422887480 394850201 /nfs/dbraw/zinc/85/02/01/394850201.db2.gz YVHJDOLLWMPIMH-SJJOOFSGSA-N 3 1 279.472 2.227 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422887480 394850203 /nfs/dbraw/zinc/85/02/03/394850203.db2.gz YVHJDOLLWMPIMH-SJJOOFSGSA-N 3 1 279.472 2.227 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000128372168 394853763 /nfs/dbraw/zinc/85/37/63/394853763.db2.gz VMHSBJYKLAVCRV-XYPHTWIQSA-N 2 1 258.409 2.474 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000128372168 394853767 /nfs/dbraw/zinc/85/37/67/394853767.db2.gz VMHSBJYKLAVCRV-XYPHTWIQSA-N 2 1 258.409 2.474 20 0 CEADMP Cc1noc(C)c1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000336470241 394857790 /nfs/dbraw/zinc/85/77/90/394857790.db2.gz CRTCWGNENQWSON-GOEBONIOSA-N 2 1 277.412 2.250 20 0 CEADMP Cc1noc(C)c1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000336470241 394857792 /nfs/dbraw/zinc/85/77/92/394857792.db2.gz CRTCWGNENQWSON-GOEBONIOSA-N 2 1 277.412 2.250 20 0 CEADMP Cc1nc2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)cc2s1 ZINC000415037392 394858948 /nfs/dbraw/zinc/85/89/48/394858948.db2.gz LAGBICQALWOFCN-ZDUSSCGKSA-N 2 1 291.420 2.073 20 0 CEADMP C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000422911914 394859827 /nfs/dbraw/zinc/85/98/27/394859827.db2.gz UVMGNZCOFNPOKJ-NUJGCVRESA-N 2 1 289.467 2.485 20 0 CEADMP C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000422911914 394859831 /nfs/dbraw/zinc/85/98/31/394859831.db2.gz UVMGNZCOFNPOKJ-NUJGCVRESA-N 2 1 289.467 2.485 20 0 CEADMP C[C@@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000422911916 394859960 /nfs/dbraw/zinc/85/99/60/394859960.db2.gz UVMGNZCOFNPOKJ-SOLBZPMBSA-N 2 1 289.467 2.485 20 0 CEADMP C[C@@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000422911916 394859962 /nfs/dbraw/zinc/85/99/62/394859962.db2.gz UVMGNZCOFNPOKJ-SOLBZPMBSA-N 2 1 289.467 2.485 20 0 CEADMP FC(F)(F)c1cccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000415044034 394861730 /nfs/dbraw/zinc/86/17/30/394861730.db2.gz RXBFOTPNLURXED-ZDUSSCGKSA-N 2 1 288.313 2.174 20 0 CEADMP c1c2ccccc2sc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415045708 394861978 /nfs/dbraw/zinc/86/19/78/394861978.db2.gz UBHSGDUVUSFUGR-CYBMUJFWSA-N 2 1 276.405 2.369 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423216318 394888325 /nfs/dbraw/zinc/88/83/25/394888325.db2.gz RQCXFASQIYVUDJ-BPQIPLTHSA-N 2 1 287.451 2.411 20 0 CEADMP CN1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423216318 394888331 /nfs/dbraw/zinc/88/83/31/394888331.db2.gz RQCXFASQIYVUDJ-BPQIPLTHSA-N 2 1 287.451 2.411 20 0 CEADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CCOCC3)CC[NH2+]2)cc1 ZINC000415097756 394888905 /nfs/dbraw/zinc/88/89/05/394888905.db2.gz DISSVWUJHOPRSW-DLBZAZTESA-N 2 1 274.408 2.496 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423266993 394889247 /nfs/dbraw/zinc/88/92/47/394889247.db2.gz DNDJLSHWMSGBQH-XIRDDKMYSA-N 2 1 275.440 2.267 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000423266993 394889251 /nfs/dbraw/zinc/88/92/51/394889251.db2.gz DNDJLSHWMSGBQH-XIRDDKMYSA-N 2 1 275.440 2.267 20 0 CEADMP C[N@H+]1CC[C@@H](NCC2([NH3+])CCC2)C[C@@H]1c1ccccc1 ZINC000423321906 394889929 /nfs/dbraw/zinc/88/99/29/394889929.db2.gz ICCJHMBFJDMEFJ-HZPDHXFCSA-N 2 1 273.424 2.293 20 0 CEADMP CC(C)[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000130565340 394890527 /nfs/dbraw/zinc/89/05/27/394890527.db2.gz BABQXIAFPGESPU-XHSDSOJGSA-N 2 1 297.487 2.057 20 0 CEADMP CN(CCNC(=O)OC(C)(C)C)CC[C@@H]1CCCC[N@H+]1C ZINC000130619783 394891865 /nfs/dbraw/zinc/89/18/65/394891865.db2.gz NQFRGZDQEUWUOD-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP C[N@H+](CCNC(=O)OC(C)(C)C)CC[C@@H]1CCCC[NH+]1C ZINC000130619783 394891866 /nfs/dbraw/zinc/89/18/66/394891866.db2.gz NQFRGZDQEUWUOD-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP C[N@@H+](CCNC(=O)OC(C)(C)C)CC[C@@H]1CCCC[NH+]1C ZINC000130619783 394891870 /nfs/dbraw/zinc/89/18/70/394891870.db2.gz NQFRGZDQEUWUOD-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP C[NH+](CCNC(=O)OC(C)(C)C)CC[C@@H]1CCCC[N@@H+]1C ZINC000130619783 394891871 /nfs/dbraw/zinc/89/18/71/394891871.db2.gz NQFRGZDQEUWUOD-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP C[NH+](CCNC(=O)OC(C)(C)C)CC[C@@H]1CCCC[N@H+]1C ZINC000130619783 394891874 /nfs/dbraw/zinc/89/18/74/394891874.db2.gz NQFRGZDQEUWUOD-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000423345749 394893695 /nfs/dbraw/zinc/89/36/95/394893695.db2.gz YZLLMVUMGBZDFH-KBPBESRZSA-N 2 1 289.423 2.311 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337452177 394894539 /nfs/dbraw/zinc/89/45/39/394894539.db2.gz UQBBDYOJNBMFRB-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccccc2N(C)C)C[C@@H]1C[NH3+] ZINC000415118655 394895315 /nfs/dbraw/zinc/89/53/15/394895315.db2.gz DUNAUOSAIPZBEF-ZFWWWQNUSA-N 2 1 261.413 2.169 20 0 CEADMP Cc1cccc(OCC[NH2+]C[C@@H]([NH3+])CC(C)C)c1 ZINC000415119163 394895458 /nfs/dbraw/zinc/89/54/58/394895458.db2.gz XBDNUVNAJJLXGX-AWEZNQCLSA-N 2 1 250.386 2.337 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000415122954 394897367 /nfs/dbraw/zinc/89/73/67/394897367.db2.gz OSSGCLTXPWPCRJ-KRWDZBQOSA-N 2 1 286.423 2.394 20 0 CEADMP COCCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415123174 394897763 /nfs/dbraw/zinc/89/77/63/394897763.db2.gz JDFLMZMJBPYQRY-GDBMZVCRSA-N 2 1 292.423 2.129 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423350593 394898426 /nfs/dbraw/zinc/89/84/26/394898426.db2.gz ZVBIDECSRXXRJV-LPHOPBHVSA-N 3 1 299.462 2.406 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423350593 394898427 /nfs/dbraw/zinc/89/84/27/394898427.db2.gz ZVBIDECSRXXRJV-LPHOPBHVSA-N 2 1 299.462 2.406 20 0 CEADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423355672 394899007 /nfs/dbraw/zinc/89/90/07/394899007.db2.gz FTWQKMAYHGNXMP-KBRIMQKVSA-N 2 1 294.414 2.361 20 0 CEADMP CCc1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415126275 394899419 /nfs/dbraw/zinc/89/94/19/394899419.db2.gz LWWHGOQMEBCUDP-KRWDZBQOSA-N 2 1 299.422 2.136 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000415130382 394900169 /nfs/dbraw/zinc/90/01/69/394900169.db2.gz QUBFDSQJQKQAPL-CJNGLKHVSA-N 2 1 261.413 2.239 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1c[nH]nc1-c1cccs1 ZINC000415138949 394902219 /nfs/dbraw/zinc/90/22/19/394902219.db2.gz WALUAHIWQIFLSQ-UHFFFAOYSA-N 2 1 264.398 2.180 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1c[nH]nc1-c1cccs1 ZINC000415138949 394902224 /nfs/dbraw/zinc/90/22/24/394902224.db2.gz WALUAHIWQIFLSQ-UHFFFAOYSA-N 2 1 264.398 2.180 20 0 CEADMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000131096637 394903493 /nfs/dbraw/zinc/90/34/93/394903493.db2.gz PRTNEAMYNSMZPX-QXSJWSMHSA-N 2 1 297.487 2.055 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423394662 394914011 /nfs/dbraw/zinc/91/40/11/394914011.db2.gz MWEJDEUVSQCZCT-BVGQSLNGSA-N 2 1 283.419 2.379 20 0 CEADMP C[C@@H](C1CCCCC1)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338338177 394914506 /nfs/dbraw/zinc/91/45/06/394914506.db2.gz BHVZPKRHRYDVRT-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H](C1CCCCC1)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338338177 394914507 /nfs/dbraw/zinc/91/45/07/394914507.db2.gz BHVZPKRHRYDVRT-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1O ZINC000423409998 394917182 /nfs/dbraw/zinc/91/71/82/394917182.db2.gz ZJYBRSQBIFODTI-MDZLAQPJSA-N 2 1 264.369 2.049 20 0 CEADMP CCOc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OCC ZINC000423420948 394917693 /nfs/dbraw/zinc/91/76/93/394917693.db2.gz BYELZNPSBOTNIF-CVGURMSBSA-N 2 1 290.407 2.352 20 0 CEADMP COC[C@H](C)C[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000131888828 394921155 /nfs/dbraw/zinc/92/11/55/394921155.db2.gz HNQHINMDWNEXPG-RBSFLKMASA-N 2 1 256.434 2.369 20 0 CEADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423457801 394925889 /nfs/dbraw/zinc/92/58/89/394925889.db2.gz GANZZSGOBXBLGZ-SBMIAAHKSA-N 2 1 252.333 2.147 20 0 CEADMP c1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CC2)cc1 ZINC000423484698 394931523 /nfs/dbraw/zinc/93/15/23/394931523.db2.gz ABSSDDLIGXIBKK-CVEARBPZSA-N 2 1 260.381 2.106 20 0 CEADMP C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000338939629 394933302 /nfs/dbraw/zinc/93/33/02/394933302.db2.gz WEKZUWSJIXNCFB-ULQDDVLXSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+](C[C@@H]1CCCO1)[C@H]1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000338939629 394933305 /nfs/dbraw/zinc/93/33/05/394933305.db2.gz WEKZUWSJIXNCFB-ULQDDVLXSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+](C[C@@H]1CCCO1)[C@H]1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000338939629 394933307 /nfs/dbraw/zinc/93/33/07/394933307.db2.gz WEKZUWSJIXNCFB-ULQDDVLXSA-N 2 1 296.455 2.131 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)CO2 ZINC000423502059 394936958 /nfs/dbraw/zinc/93/69/58/394936958.db2.gz LSVAFHXVZUCYLS-HOCLYGCPSA-N 2 1 290.407 2.106 20 0 CEADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000423509749 394941778 /nfs/dbraw/zinc/94/17/78/394941778.db2.gz JDFLDHLMZPJFHK-CABCVRRESA-N 2 1 262.397 2.333 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccncc1F ZINC000340240722 394981969 /nfs/dbraw/zinc/98/19/69/394981969.db2.gz WWQKKGQALMHLHQ-UONOGXRCSA-N 2 1 295.402 2.108 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1N(C)C ZINC000151948739 394982091 /nfs/dbraw/zinc/98/20/91/394982091.db2.gz MCVWUOOTVVOTGR-LBPRGKRZSA-N 2 1 267.392 2.494 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCCCO)C[C@H]1c1ccccc1 ZINC000340371406 394984835 /nfs/dbraw/zinc/98/48/35/394984835.db2.gz LGCOVHMTKSTYHI-HOTGVXAUSA-N 2 1 262.397 2.184 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCCO)C[C@H]1c1ccccc1 ZINC000340371406 394984836 /nfs/dbraw/zinc/98/48/36/394984836.db2.gz LGCOVHMTKSTYHI-HOTGVXAUSA-N 2 1 262.397 2.184 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)C[C@H]1c1ccccc1 ZINC000340397792 394985190 /nfs/dbraw/zinc/98/51/90/394985190.db2.gz VTKYEUVGPKHLAX-IRXDYDNUSA-N 2 1 284.407 2.377 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cn[nH]c2)C[C@H]1c1ccccc1 ZINC000340397792 394985193 /nfs/dbraw/zinc/98/51/93/394985193.db2.gz VTKYEUVGPKHLAX-IRXDYDNUSA-N 2 1 284.407 2.377 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1-n1ccnn1 ZINC000286107150 395013716 /nfs/dbraw/zinc/01/37/16/395013716.db2.gz MXGFLMQYPRELGJ-AWEZNQCLSA-N 2 1 297.406 2.180 20 0 CEADMP C[N@@H+](Cc1ccc(CO)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285644537 394962021 /nfs/dbraw/zinc/96/20/21/394962021.db2.gz YAADEZOESBKRDE-SJPCQFCGSA-N 2 1 274.408 2.236 20 0 CEADMP C[NH+](Cc1ccc(CO)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285644537 394962026 /nfs/dbraw/zinc/96/20/26/394962026.db2.gz YAADEZOESBKRDE-SJPCQFCGSA-N 2 1 274.408 2.236 20 0 CEADMP C[NH+](Cc1ccc(CO)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285644537 394962029 /nfs/dbraw/zinc/96/20/29/394962029.db2.gz YAADEZOESBKRDE-SJPCQFCGSA-N 2 1 274.408 2.236 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000367599146 394966221 /nfs/dbraw/zinc/96/62/21/394966221.db2.gz GPYUQBBNYSKLGE-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367599146 394966222 /nfs/dbraw/zinc/96/62/22/394966222.db2.gz GPYUQBBNYSKLGE-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367599146 394966224 /nfs/dbraw/zinc/96/62/24/394966224.db2.gz GPYUQBBNYSKLGE-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423736441 394972423 /nfs/dbraw/zinc/97/24/23/394972423.db2.gz YRGZMJXMYFNFGN-QXSJWSMHSA-N 2 1 295.471 2.081 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000344640959 395058051 /nfs/dbraw/zinc/05/80/51/395058051.db2.gz IVWJBKGQKPCZRD-OAHLLOKOSA-N 2 1 283.460 2.097 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000162636913 395078133 /nfs/dbraw/zinc/07/81/33/395078133.db2.gz YMWYIPFWUNAURR-HIFRSBDPSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000162636913 395078136 /nfs/dbraw/zinc/07/81/36/395078136.db2.gz YMWYIPFWUNAURR-HIFRSBDPSA-N 2 1 265.401 2.207 20 0 CEADMP C[N@@H+](CCNC(=O)C[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000427276884 395102659 /nfs/dbraw/zinc/10/26/59/395102659.db2.gz QJPOMNLWFMFWOQ-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@H]1C[N@H+](Cc2cccc3c2OCCCO3)CC[C@H]1[NH3+] ZINC000347060428 395118978 /nfs/dbraw/zinc/11/89/78/395118978.db2.gz YBNYASGJYSYTIU-GXTWGEPZSA-N 2 1 276.380 2.017 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3c2OCCCO3)CC[C@H]1[NH3+] ZINC000347060428 395118979 /nfs/dbraw/zinc/11/89/79/395118979.db2.gz YBNYASGJYSYTIU-GXTWGEPZSA-N 2 1 276.380 2.017 20 0 CEADMP CC(C)COCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000376411507 395119810 /nfs/dbraw/zinc/11/98/10/395119810.db2.gz INHMHITWGKDRFB-PMPSAXMXSA-N 2 1 266.429 2.075 20 0 CEADMP CC(C)COCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000376411507 395119815 /nfs/dbraw/zinc/11/98/15/395119815.db2.gz INHMHITWGKDRFB-PMPSAXMXSA-N 2 1 266.429 2.075 20 0 CEADMP CC(C)COCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000376411507 395119818 /nfs/dbraw/zinc/11/98/18/395119818.db2.gz INHMHITWGKDRFB-PMPSAXMXSA-N 2 1 266.429 2.075 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[NH2+]CC2)C[C@@H]1C ZINC000427317595 395105008 /nfs/dbraw/zinc/10/50/08/395105008.db2.gz XLYGXAVUEQKQJJ-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH2+]CC1(C)COC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347939880 395131683 /nfs/dbraw/zinc/13/16/83/395131683.db2.gz VJROCDYDRYHSCA-KBPBESRZSA-N 2 1 266.429 2.266 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348263085 395141026 /nfs/dbraw/zinc/14/10/26/395141026.db2.gz SBOUKEZDJLKXKP-SJORKVTESA-N 2 1 276.424 2.348 20 0 CEADMP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@H]3[NH2+]CC[C@H]3C1)CC2 ZINC000428032978 395134407 /nfs/dbraw/zinc/13/44/07/395134407.db2.gz LVWHGWUIHYIUIW-APHBMKBZSA-N 2 1 260.356 2.497 20 0 CEADMP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@H]3[NH2+]CC[C@H]3C1)CC2 ZINC000428032978 395134409 /nfs/dbraw/zinc/13/44/09/395134409.db2.gz LVWHGWUIHYIUIW-APHBMKBZSA-N 2 1 260.356 2.497 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000430627231 395165535 /nfs/dbraw/zinc/16/55/35/395165535.db2.gz MUKYLHMZUZPPFL-INIZCTEOSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000380972309 395171230 /nfs/dbraw/zinc/17/12/30/395171230.db2.gz BBTPVYZYNKZROH-DJIMGWMZSA-N 2 1 275.440 2.366 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCC(C)CC1 ZINC000381321138 395173381 /nfs/dbraw/zinc/17/33/81/395173381.db2.gz GAYFZKQAQOVGMA-YMAMQOFZSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CCC(C)CC1 ZINC000381321138 395173387 /nfs/dbraw/zinc/17/33/87/395173387.db2.gz GAYFZKQAQOVGMA-YMAMQOFZSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)Cc1cccc(Cl)c1 ZINC000381816355 395176245 /nfs/dbraw/zinc/17/62/45/395176245.db2.gz HBAMNKBSTGTBHN-HNNXBMFYSA-N 2 1 284.831 2.473 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CCCC[NH3+])C[C@@H]1C ZINC000418671191 395233342 /nfs/dbraw/zinc/23/33/42/395233342.db2.gz KMWPBYISOLYITE-KKUMJFAQSA-N 2 1 298.475 2.018 20 0 CEADMP CN(C[C@@H]1CC[NH2+]C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382762041 395183280 /nfs/dbraw/zinc/18/32/80/395183280.db2.gz KWQJTNVUDXZOLB-MSOLQXFVSA-N 2 1 287.451 2.050 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000179231689 395185761 /nfs/dbraw/zinc/18/57/61/395185761.db2.gz PXCMUVVSIRSGOB-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000179231689 395185766 /nfs/dbraw/zinc/18/57/66/395185766.db2.gz PXCMUVVSIRSGOB-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]CC[C@@H]1CCOC1 ZINC000437982609 395201942 /nfs/dbraw/zinc/20/19/42/395201942.db2.gz FEGRMBUXOPVISB-HUUCEWRRSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CC[C@H]1CCOC1 ZINC000438200057 395211791 /nfs/dbraw/zinc/21/17/91/395211791.db2.gz HISJZCJPSQBDDM-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CC[C@H]1CCOC1 ZINC000438200057 395211796 /nfs/dbraw/zinc/21/17/96/395211796.db2.gz HISJZCJPSQBDDM-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396810608 395219446 /nfs/dbraw/zinc/21/94/46/395219446.db2.gz QPRZTMCIUSJLEQ-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)C[N@H+](CCc1ccccc1)CCN1CC[NH2+]CC1 ZINC000420322866 395325123 /nfs/dbraw/zinc/32/51/23/395325123.db2.gz SPASBXAPHIQIQW-UHFFFAOYSA-N 2 1 289.467 2.092 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323058 395325259 /nfs/dbraw/zinc/32/52/59/395325259.db2.gz TUQBOUFVZHXQIU-JKSUJKDBSA-N 3 1 267.461 2.040 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323058 395325265 /nfs/dbraw/zinc/32/52/65/395325265.db2.gz TUQBOUFVZHXQIU-JKSUJKDBSA-N 3 1 267.461 2.040 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323058 395325272 /nfs/dbraw/zinc/32/52/72/395325272.db2.gz TUQBOUFVZHXQIU-JKSUJKDBSA-N 3 1 267.461 2.040 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000353338047 395295502 /nfs/dbraw/zinc/29/55/02/395295502.db2.gz RHKODUDWAINRGM-HNNXBMFYSA-N 2 1 283.460 2.144 20 0 CEADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353515909 395299889 /nfs/dbraw/zinc/29/98/89/395299889.db2.gz IIVLDIFFNAZVOS-QXSJWSMHSA-N 2 1 268.445 2.248 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CC[NH2+]C2)C1(C)C ZINC000420295193 395300590 /nfs/dbraw/zinc/30/05/90/395300590.db2.gz BVNZAZZQHWVHDG-MELADBBJSA-N 2 1 254.418 2.121 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323050 395326266 /nfs/dbraw/zinc/32/62/66/395326266.db2.gz TUQBOUFVZHXQIU-HOTGVXAUSA-N 3 1 267.461 2.040 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323050 395326267 /nfs/dbraw/zinc/32/62/67/395326267.db2.gz TUQBOUFVZHXQIU-HOTGVXAUSA-N 3 1 267.461 2.040 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420323050 395326271 /nfs/dbraw/zinc/32/62/71/395326271.db2.gz TUQBOUFVZHXQIU-HOTGVXAUSA-N 3 1 267.461 2.040 20 0 CEADMP COC(=O)c1ccccc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420295334 395300937 /nfs/dbraw/zinc/30/09/37/395300937.db2.gz VGVOGYLRWNHBDF-QWHCGFSZSA-N 2 1 276.380 2.032 20 0 CEADMP COC(=O)c1ccccc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420295334 395300941 /nfs/dbraw/zinc/30/09/41/395300941.db2.gz VGVOGYLRWNHBDF-QWHCGFSZSA-N 2 1 276.380 2.032 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CC[NH2+]C2)C1(C)C ZINC000420295194 395301032 /nfs/dbraw/zinc/30/10/32/395301032.db2.gz BVNZAZZQHWVHDG-MGPQQGTHSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](CCO)c1ccccc1 ZINC000420297940 395304276 /nfs/dbraw/zinc/30/42/76/395304276.db2.gz GRODNULJABUDPI-DOTOQJQBSA-N 2 1 276.424 2.432 20 0 CEADMP COC(=O)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420303126 395307254 /nfs/dbraw/zinc/30/72/54/395307254.db2.gz HBYXGLJTWVRLPI-NUEKZKHPSA-N 2 1 288.391 2.032 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H](c2ccccc2)O1 ZINC000420301790 395307965 /nfs/dbraw/zinc/30/79/65/395307965.db2.gz JEMOJEQBIFWGKQ-VYDXJSESSA-N 2 1 274.408 2.448 20 0 CEADMP C[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)[C@@H]1c1cccc(F)c1 ZINC000420304459 395309445 /nfs/dbraw/zinc/30/94/45/395309445.db2.gz ONPJBORGNQQGCH-YOEHRIQHSA-N 2 1 291.414 2.114 20 0 CEADMP COc1cccc(OCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000420305900 395310706 /nfs/dbraw/zinc/31/07/06/395310706.db2.gz KQGUQHGAYTWSQX-XKQJLSEDSA-N 2 1 290.407 2.133 20 0 CEADMP CCC[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420312444 395316702 /nfs/dbraw/zinc/31/67/02/395316702.db2.gz XAJAHSDULKHZAT-SQNIBIBYSA-N 2 1 290.451 2.429 20 0 CEADMP CCc1nccn1[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420313374 395316864 /nfs/dbraw/zinc/31/68/64/395316864.db2.gz JAFVZEFDFSWUIU-CVEARBPZSA-N 3 1 290.455 2.472 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420312926 395316883 /nfs/dbraw/zinc/31/68/83/395316883.db2.gz JEJXJQXITHPVCK-LBPRGKRZSA-N 2 1 273.302 2.271 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420312926 395316885 /nfs/dbraw/zinc/31/68/85/395316885.db2.gz JEJXJQXITHPVCK-LBPRGKRZSA-N 2 1 273.302 2.271 20 0 CEADMP c1ccc([C@@H]2COCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420314059 395318182 /nfs/dbraw/zinc/31/81/82/395318182.db2.gz YNNSGJAKBIBPEG-ZBFHGGJFSA-N 2 1 260.381 2.060 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420316298 395319455 /nfs/dbraw/zinc/31/94/55/395319455.db2.gz NFHKYKAYLJELPS-CVEARBPZSA-N 2 1 274.408 2.169 20 0 CEADMP CC(C)OC(=O)CC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000420315363 395319725 /nfs/dbraw/zinc/31/97/25/395319725.db2.gz LYXFUFRSQPBRSA-UHFFFAOYSA-N 2 1 270.417 2.169 20 0 CEADMP Cc1cnccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000296584319 395322979 /nfs/dbraw/zinc/32/29/79/395322979.db2.gz XCGNBZXHGDFUDT-UHFFFAOYSA-N 2 1 259.397 2.354 20 0 CEADMP COC[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690008 395323233 /nfs/dbraw/zinc/32/32/33/395323233.db2.gz YQNSXWKKRXQWDU-CYBMUJFWSA-N 2 1 277.412 2.434 20 0 CEADMP CC[N@@H+](CCNC(=O)CC[C@H]1CCCC[NH+]1C)C(C)C ZINC000352912427 395275800 /nfs/dbraw/zinc/27/58/00/395275800.db2.gz NNEIYXMIZBSVEW-OAHLLOKOSA-N 2 1 283.460 2.097 20 0 CEADMP CC[NH+](CCNC(=O)CC[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000352912427 395275801 /nfs/dbraw/zinc/27/58/01/395275801.db2.gz NNEIYXMIZBSVEW-OAHLLOKOSA-N 2 1 283.460 2.097 20 0 CEADMP CC[NH+](CCNC(=O)CC[C@H]1CCCC[N@H+]1C)C(C)C ZINC000352912427 395275804 /nfs/dbraw/zinc/27/58/04/395275804.db2.gz NNEIYXMIZBSVEW-OAHLLOKOSA-N 2 1 283.460 2.097 20 0 CEADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC[C@@H]1CCC[NH2+]C1 ZINC000420321648 395324431 /nfs/dbraw/zinc/32/44/31/395324431.db2.gz RIWPEZLSZGGYRC-JKSUJKDBSA-N 3 1 267.461 2.182 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC[C@@H]1CCC[NH2+]C1 ZINC000420321648 395324435 /nfs/dbraw/zinc/32/44/35/395324435.db2.gz RIWPEZLSZGGYRC-JKSUJKDBSA-N 3 1 267.461 2.182 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC[C@@H]1CCC[NH2+]C1 ZINC000420321648 395324438 /nfs/dbraw/zinc/32/44/38/395324438.db2.gz RIWPEZLSZGGYRC-JKSUJKDBSA-N 3 1 267.461 2.182 20 0 CEADMP CN1CCCC[C@@H]1CC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420321648 395324441 /nfs/dbraw/zinc/32/44/41/395324441.db2.gz RIWPEZLSZGGYRC-JKSUJKDBSA-N 2 1 267.461 2.182 20 0 CEADMP CN1CCCC[C@@H]1CC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420321648 395324444 /nfs/dbraw/zinc/32/44/44/395324444.db2.gz RIWPEZLSZGGYRC-JKSUJKDBSA-N 2 1 267.461 2.182 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000526057279 395276407 /nfs/dbraw/zinc/27/64/07/395276407.db2.gz GGDOVNKUZOJMRQ-ZDUSSCGKSA-N 2 1 296.377 2.352 20 0 CEADMP CC(C)[N@H+](CCc1nccs1)CC[C@@H]1CC[NH2+]C1 ZINC000420366863 395354203 /nfs/dbraw/zinc/35/42/03/395354203.db2.gz UTQBRAKTNPAKKL-ZDUSSCGKSA-N 2 1 267.442 2.396 20 0 CEADMP CC[N@@H+](CCC1CCN(C[C@H](C)[NH3+])CC1)CC1CC1 ZINC000420370007 395354912 /nfs/dbraw/zinc/35/49/12/395354912.db2.gz JIHNEHOHGLUHTH-AWEZNQCLSA-N 2 1 267.461 2.168 20 0 CEADMP CC[N@H+](CCC1CC[NH+](C[C@H](C)[NH3+])CC1)CC1CC1 ZINC000420370007 395354914 /nfs/dbraw/zinc/35/49/14/395354914.db2.gz JIHNEHOHGLUHTH-AWEZNQCLSA-N 3 1 267.461 2.168 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](C[C@H](C)[NH3+])CC1)CC1CC1 ZINC000420370007 395354918 /nfs/dbraw/zinc/35/49/18/395354918.db2.gz JIHNEHOHGLUHTH-AWEZNQCLSA-N 3 1 267.461 2.168 20 0 CEADMP CC[N@H+](CCC1CC[NH+](C[C@H](C)N)CC1)CC1CC1 ZINC000420370007 395354922 /nfs/dbraw/zinc/35/49/22/395354922.db2.gz JIHNEHOHGLUHTH-AWEZNQCLSA-N 2 1 267.461 2.168 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](C[C@H](C)N)CC1)CC1CC1 ZINC000420370007 395354925 /nfs/dbraw/zinc/35/49/25/395354925.db2.gz JIHNEHOHGLUHTH-AWEZNQCLSA-N 2 1 267.461 2.168 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c(C)s1 ZINC000420369214 395355399 /nfs/dbraw/zinc/35/53/99/395355399.db2.gz UTFWVFOUWLLJFP-CYBMUJFWSA-N 2 1 296.436 2.321 20 0 CEADMP CC[C@@H](F)C[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000440790812 395357433 /nfs/dbraw/zinc/35/74/33/395357433.db2.gz GGDMCRMBDKSLFS-KGLIPLIRSA-N 2 1 260.397 2.167 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000412413692 395357682 /nfs/dbraw/zinc/35/76/82/395357682.db2.gz TZXWFZVOEZUKFR-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000412413692 395357691 /nfs/dbraw/zinc/35/76/91/395357691.db2.gz TZXWFZVOEZUKFR-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000412413692 395357696 /nfs/dbraw/zinc/35/76/96/395357696.db2.gz TZXWFZVOEZUKFR-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP COc1ccc(OCCC[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000420373054 395359312 /nfs/dbraw/zinc/35/93/12/395359312.db2.gz YXWURTGVOHBPCA-OAHLLOKOSA-N 2 1 280.412 2.427 20 0 CEADMP COC[C@H]1CCCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000420374545 395360226 /nfs/dbraw/zinc/36/02/26/395360226.db2.gz OAYBWNHSVWJSDL-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCCc1ccccc1OC ZINC000420395644 395368917 /nfs/dbraw/zinc/36/89/17/395368917.db2.gz UDHQBYPFBFLCQV-UHFFFAOYSA-N 2 1 250.386 2.169 20 0 CEADMP Cc1ccoc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000355213788 395369944 /nfs/dbraw/zinc/36/99/44/395369944.db2.gz RMUPIOGCCGWZPG-RBSFLKMASA-N 2 1 278.396 2.272 20 0 CEADMP Cc1ccoc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000355213788 395369948 /nfs/dbraw/zinc/36/99/48/395369948.db2.gz RMUPIOGCCGWZPG-RBSFLKMASA-N 2 1 278.396 2.272 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)C1CCCC1 ZINC000420408516 395373784 /nfs/dbraw/zinc/37/37/84/395373784.db2.gz PICSREBRDVZYOK-CABCVRRESA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)C1CCCC1 ZINC000420408516 395373788 /nfs/dbraw/zinc/37/37/88/395373788.db2.gz PICSREBRDVZYOK-CABCVRRESA-N 2 1 295.471 2.083 20 0 CEADMP CC[C@H]1CCCCN1C(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435616647 395379068 /nfs/dbraw/zinc/37/90/68/395379068.db2.gz TXCRRFWOJLRIQK-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@H]1CCCCN1C(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435616647 395379070 /nfs/dbraw/zinc/37/90/70/395379070.db2.gz TXCRRFWOJLRIQK-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000443345950 395398996 /nfs/dbraw/zinc/39/89/96/395398996.db2.gz TXEVHWZCTSCZEQ-SQWLQELKSA-N 2 1 279.428 2.453 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000443345950 395399003 /nfs/dbraw/zinc/39/90/03/395399003.db2.gz TXEVHWZCTSCZEQ-SQWLQELKSA-N 2 1 279.428 2.453 20 0 CEADMP CCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435688403 395383349 /nfs/dbraw/zinc/38/33/49/395383349.db2.gz OQYLGCJLTCKVQP-LBPRGKRZSA-N 2 1 265.426 2.497 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCCCC1CCCCC1 ZINC000442779002 395395143 /nfs/dbraw/zinc/39/51/43/395395143.db2.gz LIFIIFUSTUEHLC-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCCCC1CCCCC1 ZINC000442779002 395395145 /nfs/dbraw/zinc/39/51/45/395395145.db2.gz LIFIIFUSTUEHLC-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420326829 395329103 /nfs/dbraw/zinc/32/91/03/395329103.db2.gz XSIPSSQJITWUJG-SJORKVTESA-N 3 1 279.472 2.184 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331159 395330855 /nfs/dbraw/zinc/33/08/55/395330855.db2.gz BRSFQWLRIPFTQB-ZNMIVQPWSA-N 2 1 295.471 2.001 20 0 CEADMP FC(F)COCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000189731463 395332305 /nfs/dbraw/zinc/33/23/05/395332305.db2.gz JGVPNPKNHARTSH-JSGCOSHPSA-N 2 1 288.382 2.217 20 0 CEADMP FC(F)COCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000189731463 395332318 /nfs/dbraw/zinc/33/23/18/395332318.db2.gz JGVPNPKNHARTSH-JSGCOSHPSA-N 2 1 288.382 2.217 20 0 CEADMP FC(F)COCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000189731463 395332320 /nfs/dbraw/zinc/33/23/20/395332320.db2.gz JGVPNPKNHARTSH-JSGCOSHPSA-N 2 1 288.382 2.217 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335400 395332551 /nfs/dbraw/zinc/33/25/51/395332551.db2.gz UVCUQDWHSSWFMN-IRXDYDNUSA-N 3 1 279.472 2.184 20 0 CEADMP C(CN1CCCCC1)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335400 395332555 /nfs/dbraw/zinc/33/25/55/395332555.db2.gz UVCUQDWHSSWFMN-IRXDYDNUSA-N 2 1 279.472 2.184 20 0 CEADMP C(CN1CCCCC1)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335400 395332559 /nfs/dbraw/zinc/33/25/59/395332559.db2.gz UVCUQDWHSSWFMN-IRXDYDNUSA-N 2 1 279.472 2.184 20 0 CEADMP CCc1ccccc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420335365 395333146 /nfs/dbraw/zinc/33/31/46/395333146.db2.gz UUNOWQOIAKBXBF-KRWDZBQOSA-N 2 1 288.435 2.436 20 0 CEADMP c1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)oc1C1CC1 ZINC000420338365 395334575 /nfs/dbraw/zinc/33/45/75/395334575.db2.gz XVYVVKIQCJREDS-KBPBESRZSA-N 2 1 275.396 2.374 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440613952 395335811 /nfs/dbraw/zinc/33/58/11/395335811.db2.gz PGRMTYNVVLPHSQ-SNVBAGLBSA-N 2 1 290.333 2.250 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440613952 395335815 /nfs/dbraw/zinc/33/58/15/395335815.db2.gz PGRMTYNVVLPHSQ-SNVBAGLBSA-N 2 1 290.333 2.250 20 0 CEADMP CC[NH+](CC)CCCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420340593 395336149 /nfs/dbraw/zinc/33/61/49/395336149.db2.gz SYBZQHDNXQCZIO-MRXNPFEDSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@H](c1ccc2ccccc2c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420352234 395341090 /nfs/dbraw/zinc/34/10/90/395341090.db2.gz LUDDPTAKCOWOJV-MLGOLLRUSA-N 2 1 258.365 2.152 20 0 CEADMP C[N@@H+](CCCSc1ccccc1Cl)C[C@H](O)C[NH3+] ZINC000420355053 395343036 /nfs/dbraw/zinc/34/30/36/395343036.db2.gz PLVPHQCIHMVHEI-LLVKDONJSA-N 2 1 288.844 2.074 20 0 CEADMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420355066 395343389 /nfs/dbraw/zinc/34/33/89/395343389.db2.gz PPWZJKAJBVRNGB-DOMZBBRYSA-N 2 1 264.413 2.297 20 0 CEADMP CC(C)CCC[C@@H](C)NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420355922 395343433 /nfs/dbraw/zinc/34/34/33/395343433.db2.gz FPYMETPHDWIQNA-HUUCEWRRSA-N 2 1 297.487 2.295 20 0 CEADMP COc1ccc(CC[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000420357773 395344267 /nfs/dbraw/zinc/34/42/67/395344267.db2.gz HSVVNZFCGITJBL-CQSZACIVSA-N 2 1 250.386 2.201 20 0 CEADMP C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362652 395350326 /nfs/dbraw/zinc/35/03/26/395350326.db2.gz BAAXVBBNXLOWTA-XYJFISCASA-N 3 1 291.483 2.325 20 0 CEADMP C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362652 395350329 /nfs/dbraw/zinc/35/03/29/395350329.db2.gz BAAXVBBNXLOWTA-XYJFISCASA-N 3 1 291.483 2.325 20 0 CEADMP C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362652 395350333 /nfs/dbraw/zinc/35/03/33/395350333.db2.gz BAAXVBBNXLOWTA-XYJFISCASA-N 3 1 291.483 2.325 20 0 CEADMP C(C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362652 395350336 /nfs/dbraw/zinc/35/03/36/395350336.db2.gz BAAXVBBNXLOWTA-XYJFISCASA-N 2 1 291.483 2.325 20 0 CEADMP C(C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362652 395350338 /nfs/dbraw/zinc/35/03/38/395350338.db2.gz BAAXVBBNXLOWTA-XYJFISCASA-N 2 1 291.483 2.325 20 0 CEADMP C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362652 395350342 /nfs/dbraw/zinc/35/03/42/395350342.db2.gz BAAXVBBNXLOWTA-XYJFISCASA-N 2 1 291.483 2.325 20 0 CEADMP C(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362652 395350345 /nfs/dbraw/zinc/35/03/45/395350345.db2.gz BAAXVBBNXLOWTA-XYJFISCASA-N 2 1 291.483 2.325 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCOCC2CCC2)CC[N@@H+]1C ZINC000445430947 395463744 /nfs/dbraw/zinc/46/37/44/395463744.db2.gz LVBAOZFWYBGNHE-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCOCC2CCC2)CC[N@H+]1C ZINC000445430947 395463746 /nfs/dbraw/zinc/46/37/46/395463746.db2.gz LVBAOZFWYBGNHE-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCOCC2CCC2)CC[NH+]1C ZINC000445430947 395463749 /nfs/dbraw/zinc/46/37/49/395463749.db2.gz LVBAOZFWYBGNHE-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOCC2CCC2)CC[NH+]1C ZINC000445430947 395463751 /nfs/dbraw/zinc/46/37/51/395463751.db2.gz LVBAOZFWYBGNHE-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3C[C@@H](O)C3)C2)CC1 ZINC000420900511 395433043 /nfs/dbraw/zinc/43/30/43/395433043.db2.gz ICRYQTZUVWQKGP-ZACQAIPSSA-N 2 1 280.456 2.201 20 0 CEADMP Nc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000566245656 395507867 /nfs/dbraw/zinc/50/78/67/395507867.db2.gz OXLUQJPYZWBCKF-CVEARBPZSA-N 2 1 259.397 2.375 20 0 CEADMP Nc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000566245656 395507869 /nfs/dbraw/zinc/50/78/69/395507869.db2.gz OXLUQJPYZWBCKF-CVEARBPZSA-N 2 1 259.397 2.375 20 0 CEADMP CC(C)C[C@@H](N)c1noc(C[C@H](C)n2ccnc2)n1 ZINC000566310284 395512339 /nfs/dbraw/zinc/51/23/39/395512339.db2.gz HQGRBGVHQYFRQS-WDEREUQCSA-N 2 1 263.345 2.116 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cncnc2C)C1 ZINC000565549831 395476555 /nfs/dbraw/zinc/47/65/55/395476555.db2.gz UQEOKUSPFPJTLE-GXTWGEPZSA-N 2 1 262.401 2.168 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cncnc2C)C1 ZINC000565549831 395476559 /nfs/dbraw/zinc/47/65/59/395476559.db2.gz UQEOKUSPFPJTLE-GXTWGEPZSA-N 2 1 262.401 2.168 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000446890772 395501421 /nfs/dbraw/zinc/50/14/21/395501421.db2.gz PDKUTGNORBIUFW-PBHICJAKSA-N 3 1 279.472 2.181 20 0 CEADMP CCN1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000446890772 395501423 /nfs/dbraw/zinc/50/14/23/395501423.db2.gz PDKUTGNORBIUFW-PBHICJAKSA-N 2 1 279.472 2.181 20 0 CEADMP CC[N@@H+](CCNC(=O)c1sccc1C[NH+](C)C)C(C)C ZINC000446914101 395501889 /nfs/dbraw/zinc/50/18/89/395501889.db2.gz XFFIYENYZCQKPL-UHFFFAOYSA-N 2 1 297.468 2.270 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451220828 395595578 /nfs/dbraw/zinc/59/55/78/395595578.db2.gz WQCHGSDGYOHSOW-GJZGRUSLSA-N 2 1 295.471 2.084 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451220828 395595579 /nfs/dbraw/zinc/59/55/79/395595579.db2.gz WQCHGSDGYOHSOW-GJZGRUSLSA-N 2 1 295.471 2.084 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451220828 395595580 /nfs/dbraw/zinc/59/55/80/395595580.db2.gz WQCHGSDGYOHSOW-GJZGRUSLSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC000573126490 395601438 /nfs/dbraw/zinc/60/14/38/395601438.db2.gz SWTVTLXSAZQQLM-LBTNJELSSA-N 3 1 287.451 2.138 20 0 CEADMP C[C@@H]1C[C@@H](C)N(Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC000573126490 395601440 /nfs/dbraw/zinc/60/14/40/395601440.db2.gz SWTVTLXSAZQQLM-LBTNJELSSA-N 2 1 287.451 2.138 20 0 CEADMP COc1cc2c(cc1C[NH2+]CC[C@H]1CCC[NH2+]1)O[C@@H](C)C2 ZINC000573218181 395603024 /nfs/dbraw/zinc/60/30/24/395603024.db2.gz PJRDFELYBQNZSN-SWLSCSKDSA-N 2 1 290.407 2.250 20 0 CEADMP CC(C)C[C@]1(C)CCC[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000451292062 395603882 /nfs/dbraw/zinc/60/38/82/395603882.db2.gz SHPTWLGKCMHGKS-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@]1(C)CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000451292062 395603885 /nfs/dbraw/zinc/60/38/85/395603885.db2.gz SHPTWLGKCMHGKS-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@]1(C)CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000451292062 395603886 /nfs/dbraw/zinc/60/38/86/395603886.db2.gz SHPTWLGKCMHGKS-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@]1(C)CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000451292062 395603887 /nfs/dbraw/zinc/60/38/87/395603887.db2.gz SHPTWLGKCMHGKS-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@]1(C)CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000451292062 395603890 /nfs/dbraw/zinc/60/38/90/395603890.db2.gz SHPTWLGKCMHGKS-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451414780 395614641 /nfs/dbraw/zinc/61/46/41/395614641.db2.gz DPRKPBDHODYATH-BZUAXINKSA-N 2 1 277.412 2.207 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451414780 395614642 /nfs/dbraw/zinc/61/46/42/395614642.db2.gz DPRKPBDHODYATH-BZUAXINKSA-N 2 1 277.412 2.207 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451418592 395615380 /nfs/dbraw/zinc/61/53/80/395615380.db2.gz JNXMTPBOBRIYBC-KLHDSHLOSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451418592 395615383 /nfs/dbraw/zinc/61/53/83/395615383.db2.gz JNXMTPBOBRIYBC-KLHDSHLOSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451418592 395615386 /nfs/dbraw/zinc/61/53/86/395615386.db2.gz JNXMTPBOBRIYBC-KLHDSHLOSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@H]1C[C@@H]1[N@H+]1CCN(CCCc2c[nH+]cn2C)C[C@@H](C)C1 ZINC000568410283 395559108 /nfs/dbraw/zinc/55/91/08/395559108.db2.gz HJZTVCVCDJCLGW-VYDXJSESSA-N 2 1 290.455 2.015 20 0 CEADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CCCC[NH+]1CC ZINC000568430594 395559998 /nfs/dbraw/zinc/55/99/98/395559998.db2.gz SSGBHQGRLQFWAF-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000569074081 395573085 /nfs/dbraw/zinc/57/30/85/395573085.db2.gz JBHDLXRRQXTWPE-RQJABVFESA-N 2 1 252.402 2.016 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCC[NH3+])C1 ZINC000574986275 395642924 /nfs/dbraw/zinc/64/29/24/395642924.db2.gz ALMPCVUKGZXLIY-AWEZNQCLSA-N 2 1 283.460 2.132 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCCO1 ZINC000647344228 395706898 /nfs/dbraw/zinc/70/68/98/395706898.db2.gz MFVJTOFIMFZUJX-XOYOTBSWSA-N 2 1 288.435 2.489 20 0 CEADMP C[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344080 395707240 /nfs/dbraw/zinc/70/72/40/395707240.db2.gz IPHAYRVHMLXVMT-RANZSIQMSA-N 2 1 288.435 2.346 20 0 CEADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000647490944 395720739 /nfs/dbraw/zinc/72/07/39/395720739.db2.gz ZPEZLJCIAYQRCH-LBPRGKRZSA-N 2 1 271.364 2.024 20 0 CEADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000647490944 395720740 /nfs/dbraw/zinc/72/07/40/395720740.db2.gz ZPEZLJCIAYQRCH-LBPRGKRZSA-N 2 1 271.364 2.024 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccc(N(C)C(C)C)nc2)CC[C@@H]1[NH3+] ZINC000647497638 395721871 /nfs/dbraw/zinc/72/18/71/395721871.db2.gz OGWNBUNGLJFSFD-CVEARBPZSA-N 2 1 290.455 2.485 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C(C)C)nc2)CC[C@@H]1[NH3+] ZINC000647497638 395721872 /nfs/dbraw/zinc/72/18/72/395721872.db2.gz OGWNBUNGLJFSFD-CVEARBPZSA-N 2 1 290.455 2.485 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)nc2)CC[C@H]1[NH3+] ZINC000647498731 395722276 /nfs/dbraw/zinc/72/22/76/395722276.db2.gz ORODZBBHPSGHKB-JKSUJKDBSA-N 2 1 288.439 2.241 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)CC[C@H]1[NH3+] ZINC000647498731 395722278 /nfs/dbraw/zinc/72/22/78/395722278.db2.gz ORODZBBHPSGHKB-JKSUJKDBSA-N 2 1 288.439 2.241 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)CC[C@H]1[NH3+] ZINC000647499115 395722643 /nfs/dbraw/zinc/72/26/43/395722643.db2.gz ZUFCMMMEDIFBIX-SWLSCSKDSA-N 2 1 285.391 2.500 20 0 CEADMP CC(C)[C@H](C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000647506764 395723262 /nfs/dbraw/zinc/72/32/62/395723262.db2.gz BVQFMCLJKVIYCY-PVAVHDDUSA-N 2 1 276.424 2.474 20 0 CEADMP CC(C)[C@H](C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000647506764 395723263 /nfs/dbraw/zinc/72/32/63/395723263.db2.gz BVQFMCLJKVIYCY-PVAVHDDUSA-N 2 1 276.424 2.474 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@@H]2CCCC(C)(C)C2)CCO1 ZINC000647506677 395723351 /nfs/dbraw/zinc/72/33/51/395723351.db2.gz AEOBPIUUPKZOGM-BFHYXJOUSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)C2)CCO1 ZINC000647506677 395723354 /nfs/dbraw/zinc/72/33/54/395723354.db2.gz AEOBPIUUPKZOGM-BFHYXJOUSA-N 2 1 254.418 2.251 20 0 CEADMP CC[C@H](C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000647507107 395723533 /nfs/dbraw/zinc/72/35/33/395723533.db2.gz JCWXTHQBLJRRBI-LZWOXQAQSA-N 2 1 262.397 2.228 20 0 CEADMP CC[C@H](C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000647507107 395723534 /nfs/dbraw/zinc/72/35/34/395723534.db2.gz JCWXTHQBLJRRBI-LZWOXQAQSA-N 2 1 262.397 2.228 20 0 CEADMP c1cc2cc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)ccc2cn1 ZINC000647542279 395730761 /nfs/dbraw/zinc/73/07/61/395730761.db2.gz CWGVWMBXRRZXFE-IAGOWNOFSA-N 2 1 267.376 2.419 20 0 CEADMP c1cc2cc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)ccc2cn1 ZINC000647542279 395730762 /nfs/dbraw/zinc/73/07/62/395730762.db2.gz CWGVWMBXRRZXFE-IAGOWNOFSA-N 2 1 267.376 2.419 20 0 CEADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)C1 ZINC000647550418 395733611 /nfs/dbraw/zinc/73/36/11/395733611.db2.gz PWSKDUABBCLJRO-GDBMZVCRSA-N 2 1 284.407 2.002 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798603 395756823 /nfs/dbraw/zinc/75/68/23/395756823.db2.gz UHHVSHVFAJEJMS-CAOSSQGBSA-N 3 1 267.461 2.085 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798603 395756825 /nfs/dbraw/zinc/75/68/25/395756825.db2.gz UHHVSHVFAJEJMS-CAOSSQGBSA-N 3 1 267.461 2.085 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798607 395757028 /nfs/dbraw/zinc/75/70/28/395757028.db2.gz UHHVSHVFAJEJMS-LVQVYYBASA-N 3 1 267.461 2.085 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798607 395757029 /nfs/dbraw/zinc/75/70/29/395757029.db2.gz UHHVSHVFAJEJMS-LVQVYYBASA-N 3 1 267.461 2.085 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC[C@@H]1[NH3+] ZINC000647938894 395780456 /nfs/dbraw/zinc/78/04/56/395780456.db2.gz WQYXOCMCZCSAKO-BJWPUDQFSA-N 2 1 295.471 2.129 20 0 CEADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC[C@@H]1[NH3+] ZINC000647938894 395780457 /nfs/dbraw/zinc/78/04/57/395780457.db2.gz WQYXOCMCZCSAKO-BJWPUDQFSA-N 2 1 295.471 2.129 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCCCc1ccccc1 ZINC000647958897 395785899 /nfs/dbraw/zinc/78/58/99/395785899.db2.gz KRTWCRSFVDAYJN-KRWDZBQOSA-N 2 1 278.440 2.254 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCCCc1ccccc1 ZINC000647958897 395785901 /nfs/dbraw/zinc/78/59/01/395785901.db2.gz KRTWCRSFVDAYJN-KRWDZBQOSA-N 2 1 278.440 2.254 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCCCc1ccccc1 ZINC000647958897 395785904 /nfs/dbraw/zinc/78/59/04/395785904.db2.gz KRTWCRSFVDAYJN-KRWDZBQOSA-N 2 1 278.440 2.254 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCCCc1ccccc1 ZINC000647958897 395785907 /nfs/dbraw/zinc/78/59/07/395785907.db2.gz KRTWCRSFVDAYJN-KRWDZBQOSA-N 2 1 278.440 2.254 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000647965983 395788403 /nfs/dbraw/zinc/78/84/03/395788403.db2.gz ZGOBJDHGRQMPRB-PMPSAXMXSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000647965983 395788407 /nfs/dbraw/zinc/78/84/07/395788407.db2.gz ZGOBJDHGRQMPRB-PMPSAXMXSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000647965983 395788411 /nfs/dbraw/zinc/78/84/11/395788411.db2.gz ZGOBJDHGRQMPRB-PMPSAXMXSA-N 2 1 268.445 2.201 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1OC ZINC000647872793 395766399 /nfs/dbraw/zinc/76/63/99/395766399.db2.gz UOFXWOJPFOPCDX-CYBMUJFWSA-N 2 1 278.396 2.054 20 0 CEADMP c1cc([C@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n[nH]1 ZINC000647881005 395767620 /nfs/dbraw/zinc/76/76/20/395767620.db2.gz RSYGNQOLOYCEKP-HNNXBMFYSA-N 2 1 276.428 2.369 20 0 CEADMP c1cc([C@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)[nH]n1 ZINC000647881005 395767623 /nfs/dbraw/zinc/76/76/23/395767623.db2.gz RSYGNQOLOYCEKP-HNNXBMFYSA-N 2 1 276.428 2.369 20 0 CEADMP c1cc([C@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)[nH]n1 ZINC000647881005 395767625 /nfs/dbraw/zinc/76/76/25/395767625.db2.gz RSYGNQOLOYCEKP-HNNXBMFYSA-N 2 1 276.428 2.369 20 0 CEADMP Fc1cccc(C[N@@H+](C[C@H]2CCCO2)C[C@H]2CC[NH2+]C2)c1 ZINC000647882866 395768796 /nfs/dbraw/zinc/76/87/96/395768796.db2.gz JTTUKCWWVKTVPG-DOTOQJQBSA-N 2 1 292.398 2.416 20 0 CEADMP Fc1cccc(C[N@H+](C[C@H]2CCCO2)C[C@H]2CC[NH2+]C2)c1 ZINC000647882866 395768799 /nfs/dbraw/zinc/76/87/99/395768799.db2.gz JTTUKCWWVKTVPG-DOTOQJQBSA-N 2 1 292.398 2.416 20 0 CEADMP c1ccc([C@@H]2C[N@H+](C[C@H]3CC[NH2+]C3)CCS2)cc1 ZINC000647885817 395769457 /nfs/dbraw/zinc/76/94/57/395769457.db2.gz SQEGCQPUDMPHPN-ZFWWWQNUSA-N 2 1 262.422 2.386 20 0 CEADMP c1ccc([C@@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)CCS2)cc1 ZINC000647885817 395769458 /nfs/dbraw/zinc/76/94/58/395769458.db2.gz SQEGCQPUDMPHPN-ZFWWWQNUSA-N 2 1 262.422 2.386 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)[C@@H]1CCCO1 ZINC000647978231 395794537 /nfs/dbraw/zinc/79/45/37/395794537.db2.gz OUFSMDOXVKLHHW-XHSDSOJGSA-N 2 1 266.429 2.267 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1)CC1CC1 ZINC000647989917 395796703 /nfs/dbraw/zinc/79/67/03/395796703.db2.gz DWNRRLLSDJEUQJ-SFHVURJKSA-N 3 1 293.499 2.430 20 0 CEADMP CC[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000647989953 395796838 /nfs/dbraw/zinc/79/68/38/395796838.db2.gz JBLNEJKAJDCWBG-QZTJIDSGSA-N 2 1 287.451 2.192 20 0 CEADMP CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000647995251 395798362 /nfs/dbraw/zinc/79/83/62/395798362.db2.gz JFILIDXNYLIICI-CVEARBPZSA-N 2 1 279.472 2.040 20 0 CEADMP CC(C)Cn1nccc1CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000648002397 395800213 /nfs/dbraw/zinc/80/02/13/395800213.db2.gz UBFKHZRCZCQAAE-HNNXBMFYSA-N 2 1 278.444 2.313 20 0 CEADMP C[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1cc(F)cc(F)c1 ZINC000648385169 395898953 /nfs/dbraw/zinc/89/89/53/395898953.db2.gz BSPAYKMYSXDUGI-WXHSDQCUSA-N 2 1 266.335 2.220 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@@H](CC)C2)C1 ZINC000648433269 395908050 /nfs/dbraw/zinc/90/80/50/395908050.db2.gz YAEDWNDSBSPMBU-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)CCO1 ZINC000648468826 395914149 /nfs/dbraw/zinc/91/41/49/395914149.db2.gz ODMSWFZEKYJHDG-DLBZAZTESA-N 2 1 298.471 2.423 20 0 CEADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+](C)C)cc2)CC[N@H+]1C ZINC000648725892 395967434 /nfs/dbraw/zinc/96/74/34/395967434.db2.gz LCRSRURYARWWPY-IUODEOHRSA-N 2 1 275.396 2.027 20 0 CEADMP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000648726589 395968491 /nfs/dbraw/zinc/96/84/91/395968491.db2.gz XFKJUXPATHKTFB-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1[C@H](C(=O)NCCC[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000648726589 395968492 /nfs/dbraw/zinc/96/84/92/395968492.db2.gz XFKJUXPATHKTFB-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1[C@H](C(=O)NCCC[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000648726589 395968493 /nfs/dbraw/zinc/96/84/93/395968493.db2.gz XFKJUXPATHKTFB-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[N@H+](C)C(C)C ZINC000648732231 395969845 /nfs/dbraw/zinc/96/98/45/395969845.db2.gz NVKNMLTVUGERIX-CQSZACIVSA-N 2 1 294.443 2.243 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[N@@H+](C)C(C)C ZINC000648732231 395969848 /nfs/dbraw/zinc/96/98/48/395969848.db2.gz NVKNMLTVUGERIX-CQSZACIVSA-N 2 1 294.443 2.243 20 0 CEADMP C[C@@H]1[C@H](C(=O)Nc2ccccc2CC[NH+](C)C)CC[N@H+]1C ZINC000648872822 396007070 /nfs/dbraw/zinc/00/70/70/396007070.db2.gz VEIZHNCSLUKKNL-UKRRQHHQSA-N 2 1 289.423 2.069 20 0 CEADMP CCc1nccn1[C@@H](C)CC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000648908754 396015517 /nfs/dbraw/zinc/01/55/17/396015517.db2.gz IYFUXXDRNTVNCU-KGLIPLIRSA-N 2 1 294.443 2.242 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000648908754 396015520 /nfs/dbraw/zinc/01/55/20/396015520.db2.gz IYFUXXDRNTVNCU-KGLIPLIRSA-N 2 1 294.443 2.242 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000648908754 396015524 /nfs/dbraw/zinc/01/55/24/396015524.db2.gz IYFUXXDRNTVNCU-KGLIPLIRSA-N 2 1 294.443 2.242 20 0 CEADMP CC[N@H+]1CCN(CC[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000649396043 396140661 /nfs/dbraw/zinc/14/06/61/396140661.db2.gz XVTJCQGUDZOCSJ-INIZCTEOSA-N 2 1 275.440 2.144 20 0 CEADMP CC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000649396043 396140662 /nfs/dbraw/zinc/14/06/62/396140662.db2.gz XVTJCQGUDZOCSJ-INIZCTEOSA-N 2 1 275.440 2.144 20 0 CEADMP CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000649396043 396140663 /nfs/dbraw/zinc/14/06/63/396140663.db2.gz XVTJCQGUDZOCSJ-INIZCTEOSA-N 2 1 275.440 2.144 20 0 CEADMP CC[N@@H+](CCCC1CC[NH2+]CC1)Cc1cnn(C)c1 ZINC000649411932 396146538 /nfs/dbraw/zinc/14/65/38/396146538.db2.gz WTZIQDNSZDNRNQ-UHFFFAOYSA-N 2 1 264.417 2.022 20 0 CEADMP CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000649413758 396146995 /nfs/dbraw/zinc/14/69/95/396146995.db2.gz BIZVVUYDZDFUSU-SJLPKXTDSA-N 2 1 287.451 2.192 20 0 CEADMP CC[C@H]1CN(C)c2ccccc2C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000649414322 396148617 /nfs/dbraw/zinc/14/86/17/396148617.db2.gz STVBUUZOHGSBLR-ZBFHGGJFSA-N 2 1 273.424 2.327 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCCN2C)CC1 ZINC000649508477 396174424 /nfs/dbraw/zinc/17/44/24/396174424.db2.gz WPGDUCTXEAABON-MRXNPFEDSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[N@H+](C)CC1CCN(C[C@H]2CCC[NH+]2C)CC1 ZINC000649508477 396174428 /nfs/dbraw/zinc/17/44/28/396174428.db2.gz WPGDUCTXEAABON-MRXNPFEDSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C[C@H]2CCC[NH+]2C)CC1 ZINC000649508477 396174434 /nfs/dbraw/zinc/17/44/34/396174434.db2.gz WPGDUCTXEAABON-MRXNPFEDSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[NH+](C)CC1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649508477 396174437 /nfs/dbraw/zinc/17/44/37/396174437.db2.gz WPGDUCTXEAABON-MRXNPFEDSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[NH+](C)CC1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649508477 396174441 /nfs/dbraw/zinc/17/44/41/396174441.db2.gz WPGDUCTXEAABON-MRXNPFEDSA-N 2 1 267.461 2.133 20 0 CEADMP CC[C@H]1COC(C)(C)C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000649717145 396237810 /nfs/dbraw/zinc/23/78/10/396237810.db2.gz XOKWUSZGELWKIB-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@H]1COC(C)(C)C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000649717145 396237812 /nfs/dbraw/zinc/23/78/12/396237812.db2.gz XOKWUSZGELWKIB-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@H]1COC(C)(C)C[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000649717145 396237813 /nfs/dbraw/zinc/23/78/13/396237813.db2.gz XOKWUSZGELWKIB-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@H]1COC(C)(C)C[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000649717145 396237814 /nfs/dbraw/zinc/23/78/14/396237814.db2.gz XOKWUSZGELWKIB-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@H+](C/C=C/c1ccccc1)CCO2 ZINC000646103138 396294312 /nfs/dbraw/zinc/29/43/12/396294312.db2.gz DHNJWGBNBBURPT-VMPITWQZSA-N 2 1 286.419 2.496 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](C/C=C/c1ccccc1)CCO2 ZINC000646103138 396294315 /nfs/dbraw/zinc/29/43/15/396294315.db2.gz DHNJWGBNBBURPT-VMPITWQZSA-N 2 1 286.419 2.496 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCCOC(C)(C)C)CCO2 ZINC000646106307 396294844 /nfs/dbraw/zinc/29/48/44/396294844.db2.gz UBIGWHKIBNEYNL-UHFFFAOYSA-N 2 1 298.471 2.378 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@H]1C1CCC1)C1CC1 ZINC000646139879 396303526 /nfs/dbraw/zinc/30/35/26/396303526.db2.gz GATIGRXBLLOISM-HOTGVXAUSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@H]1C1CCC1)C1CC1 ZINC000646139879 396303530 /nfs/dbraw/zinc/30/35/30/396303530.db2.gz GATIGRXBLLOISM-HOTGVXAUSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@H]1C1CCC1)C1CC1 ZINC000646139879 396303533 /nfs/dbraw/zinc/30/35/33/396303533.db2.gz GATIGRXBLLOISM-HOTGVXAUSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@H]1C1CCC1)C1CC1 ZINC000646139879 396303536 /nfs/dbraw/zinc/30/35/36/396303536.db2.gz GATIGRXBLLOISM-HOTGVXAUSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CO1 ZINC000647170225 396427742 /nfs/dbraw/zinc/42/77/42/396427742.db2.gz QENYUTCRZUBUTJ-WMLDXEAASA-N 2 1 274.408 2.202 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CO1 ZINC000647170225 396427743 /nfs/dbraw/zinc/42/77/43/396427743.db2.gz QENYUTCRZUBUTJ-WMLDXEAASA-N 2 1 274.408 2.202 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000647249299 396449674 /nfs/dbraw/zinc/44/96/74/396449674.db2.gz QDWHSAWESCYQAI-DDBAPUKQSA-N 2 1 288.435 2.489 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000049313081 400228692 /nfs/dbraw/zinc/22/86/92/400228692.db2.gz FXTCVWNQVZHJES-STQMWFEESA-N 2 1 294.361 2.419 20 0 CEADMP COCC1(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CCC1 ZINC000339427834 400364447 /nfs/dbraw/zinc/36/44/47/400364447.db2.gz DKCSOOJQBVAMBX-OAHLLOKOSA-N 2 1 266.429 2.221 20 0 CEADMP COCC1(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)CCC1 ZINC000339427834 400364449 /nfs/dbraw/zinc/36/44/49/400364449.db2.gz DKCSOOJQBVAMBX-OAHLLOKOSA-N 2 1 266.429 2.221 20 0 CEADMP COCC1(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)CCC1 ZINC000339427834 400364453 /nfs/dbraw/zinc/36/44/53/400364453.db2.gz DKCSOOJQBVAMBX-OAHLLOKOSA-N 2 1 266.429 2.221 20 0 CEADMP COc1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000388794510 400533669 /nfs/dbraw/zinc/53/36/69/400533669.db2.gz OLWABMLGJCPPNL-YOGCLGLASA-N 2 1 281.425 2.257 20 0 CEADMP COc1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC000388794510 400533672 /nfs/dbraw/zinc/53/36/72/400533672.db2.gz OLWABMLGJCPPNL-YOGCLGLASA-N 2 1 281.425 2.257 20 0 CEADMP C[C@H](CNC(=O)CCC(C)(C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000390721759 400540810 /nfs/dbraw/zinc/54/08/10/400540810.db2.gz FXHRQHZDCKJURI-CQSZACIVSA-N 2 1 291.439 2.141 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650706228 400997489 /nfs/dbraw/zinc/99/74/89/400997489.db2.gz GROWDQMSHBOFIB-MJBXVCDLSA-N 2 1 295.452 2.170 20 0 CEADMP Cc1csc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)n1 ZINC000650706660 400998118 /nfs/dbraw/zinc/99/81/18/400998118.db2.gz POKIPCJDHDUPNT-IHRRRGAJSA-N 2 1 295.452 2.170 20 0 CEADMP [NH3+]CCC[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000650710329 400999738 /nfs/dbraw/zinc/99/97/38/400999738.db2.gz MIXBEHWXWLEREA-UHFFFAOYSA-N 2 1 275.327 2.451 20 0 CEADMP CC(C)n1nccc1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650716545 401006165 /nfs/dbraw/zinc/00/61/65/401006165.db2.gz BNCGFZACXVHFLW-UHFFFAOYSA-N 2 1 276.359 2.352 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000650740910 401016296 /nfs/dbraw/zinc/01/62/96/401016296.db2.gz UGECWSHQXBMQHQ-LSDHHAIUSA-N 2 1 255.450 2.214 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000650755505 401032552 /nfs/dbraw/zinc/03/25/52/401032552.db2.gz GQKZKNDRFVYFDA-SWLSCSKDSA-N 2 1 270.380 2.398 20 0 CEADMP C[C@H]([NH2+]C1(CO)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000360013613 155191803 /nfs/dbraw/zinc/19/18/03/155191803.db2.gz HAHFJBRNAONJGX-RDJZCZTQSA-N 2 1 288.435 2.402 20 0 CEADMP C[NH+](C)CCOc1ccc(CNC(C)(C)C[NH+](C)C)cc1 ZINC000651605290 401360626 /nfs/dbraw/zinc/36/06/26/401360626.db2.gz AKODXZQWCALFEU-UHFFFAOYSA-N 2 1 293.455 2.057 20 0 CEADMP CCC1(CC)CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000651953232 401423086 /nfs/dbraw/zinc/42/30/86/401423086.db2.gz XSKHYKKPZPJUJE-CQSZACIVSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H](COCC1CC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651982760 401428104 /nfs/dbraw/zinc/42/81/04/401428104.db2.gz HRYIMFDTGNUNRG-SNPRPXQTSA-N 2 1 252.402 2.018 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)OC)[C@@H](C)C1 ZINC000361492458 286064708 /nfs/dbraw/zinc/06/47/08/286064708.db2.gz IFVSCDKOZHDNPF-FZKCQIBNSA-N 2 1 286.460 2.136 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000652336920 401489615 /nfs/dbraw/zinc/48/96/15/401489615.db2.gz OPPXNUOANNHZMB-CYBMUJFWSA-N 2 1 290.329 2.108 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000652336920 401489619 /nfs/dbraw/zinc/48/96/19/401489619.db2.gz OPPXNUOANNHZMB-CYBMUJFWSA-N 2 1 290.329 2.108 20 0 CEADMP CN(CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652352404 401491877 /nfs/dbraw/zinc/49/18/77/401491877.db2.gz RHJIRAMTCOUUKB-RDJZCZTQSA-N 2 1 273.424 2.184 20 0 CEADMP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@H]1CCCOC1 ZINC000652358585 401493961 /nfs/dbraw/zinc/49/39/61/401493961.db2.gz UVOMTRWLOUVAJK-HOTGVXAUSA-N 2 1 292.423 2.238 20 0 CEADMP CCCCOCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652361633 401494248 /nfs/dbraw/zinc/49/42/48/401494248.db2.gz LFSMMPZPSACIHO-OAGGEKHMSA-N 2 1 284.444 2.164 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363508 401495412 /nfs/dbraw/zinc/49/54/12/401495412.db2.gz GPFJQUIOSOQRCF-ZACQAIPSSA-N 3 1 297.487 2.079 20 0 CEADMP CC[NH+](CC)CCCN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363508 401495417 /nfs/dbraw/zinc/49/54/17/401495417.db2.gz GPFJQUIOSOQRCF-ZACQAIPSSA-N 2 1 297.487 2.079 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(OC)c1 ZINC000360244076 155251603 /nfs/dbraw/zinc/25/16/03/155251603.db2.gz ZFDCCBVZNQSUAY-RDJZCZTQSA-N 2 1 292.423 2.193 20 0 CEADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000360335018 155276224 /nfs/dbraw/zinc/27/62/24/155276224.db2.gz FPNRRCREPBHYML-BFYDXBDKSA-N 2 1 287.451 2.367 20 0 CEADMP Cc1ccc(C[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)s1 ZINC000312109652 289280658 /nfs/dbraw/zinc/28/06/58/289280658.db2.gz LTXMWWTWCSTZHP-FZMZJTMJSA-N 2 1 282.453 2.032 20 0 CEADMP Cc1ccc(C[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)s1 ZINC000312109652 289280660 /nfs/dbraw/zinc/28/06/60/289280660.db2.gz LTXMWWTWCSTZHP-FZMZJTMJSA-N 2 1 282.453 2.032 20 0 CEADMP Cc1cccc2c(NCC[N@H+]3CCOC[C@@H]3C)c(C)c[nH+]c12 ZINC000360699370 155355681 /nfs/dbraw/zinc/35/56/81/155355681.db2.gz YMWYJHZABAKLGD-HNNXBMFYSA-N 2 1 299.418 2.406 20 0 CEADMP Cc1cccc2c(NCC[N@@H+]3CCOC[C@@H]3C)c(C)c[nH+]c12 ZINC000360699370 155355683 /nfs/dbraw/zinc/35/56/83/155355683.db2.gz YMWYJHZABAKLGD-HNNXBMFYSA-N 2 1 299.418 2.406 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194025949 153245953 /nfs/dbraw/zinc/24/59/53/153245953.db2.gz KFUBVWQCGHWZGM-LCGIIJARSA-N 2 1 289.423 2.375 20 0 CEADMP COCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000221874127 153313449 /nfs/dbraw/zinc/31/34/49/153313449.db2.gz FZEIWCZPUZLDDO-XJKSGUPXSA-N 2 1 262.397 2.263 20 0 CEADMP CC(=O)Nc1ccccc1CNCCC[N@H+](C)C(C)C ZINC000228547433 153368509 /nfs/dbraw/zinc/36/85/09/153368509.db2.gz MNHQIEHGLWOKOD-UHFFFAOYSA-N 2 1 277.412 2.465 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000228547433 153368514 /nfs/dbraw/zinc/36/85/14/153368514.db2.gz MNHQIEHGLWOKOD-UHFFFAOYSA-N 2 1 277.412 2.465 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000228547433 153368518 /nfs/dbraw/zinc/36/85/18/153368518.db2.gz MNHQIEHGLWOKOD-UHFFFAOYSA-N 2 1 277.412 2.465 20 0 CEADMP COc1ccc([C@H](CCO)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000120260030 286371962 /nfs/dbraw/zinc/37/19/62/286371962.db2.gz HOQITSGKVPDXMY-KMFMINBZSA-N 2 1 292.423 2.191 20 0 CEADMP COc1ccc([C@H](CCO)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000120260030 286371963 /nfs/dbraw/zinc/37/19/63/286371963.db2.gz HOQITSGKVPDXMY-KMFMINBZSA-N 2 1 292.423 2.191 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000237530939 153470559 /nfs/dbraw/zinc/47/05/59/153470559.db2.gz BUCPKQVTUJCSRI-CQSZACIVSA-N 2 1 295.471 2.003 20 0 CEADMP COc1cccc([C@H](C)[NH+]2CCN(CC(C)(C)[NH3+])CC2)c1 ZINC000346815663 154300402 /nfs/dbraw/zinc/30/04/02/154300402.db2.gz DHZVOSQVYNRCKU-AWEZNQCLSA-N 2 1 291.439 2.111 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)s1 ZINC000352735521 154331587 /nfs/dbraw/zinc/33/15/87/154331587.db2.gz HUPXJHBZUBRVJG-OCCSQVGLSA-N 2 1 295.452 2.252 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)s1 ZINC000352751374 154333091 /nfs/dbraw/zinc/33/30/91/154333091.db2.gz UPIAXMROYCIYLW-IACUBPJLSA-N 2 1 295.452 2.108 20 0 CEADMP C[C@@H](C[C@H]1CCCO1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352783076 154337091 /nfs/dbraw/zinc/33/70/91/154337091.db2.gz WZHQHWBSTXNFIY-NWDGAFQWSA-N 2 1 283.441 2.252 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)CCOCC[NH3+] ZINC000357073519 154373090 /nfs/dbraw/zinc/37/30/90/154373090.db2.gz LZKWLEKJFZLPQA-MRXNPFEDSA-N 2 1 264.413 2.305 20 0 CEADMP CCc1ccc([C@H](CO)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000359628527 155087796 /nfs/dbraw/zinc/08/77/96/155087796.db2.gz VPWCYOYTKJAGRA-IRXDYDNUSA-N 2 1 276.424 2.356 20 0 CEADMP CCc1ccc([C@H](CO)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000359628527 155087800 /nfs/dbraw/zinc/08/78/00/155087800.db2.gz VPWCYOYTKJAGRA-IRXDYDNUSA-N 2 1 276.424 2.356 20 0 CEADMP CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1cnn(C)c1 ZINC000359639456 155091475 /nfs/dbraw/zinc/09/14/75/155091475.db2.gz KXWGTANLQAUXII-AWEZNQCLSA-N 2 1 252.406 2.191 20 0 CEADMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cnn(C)c1 ZINC000359639456 155091478 /nfs/dbraw/zinc/09/14/78/155091478.db2.gz KXWGTANLQAUXII-AWEZNQCLSA-N 2 1 252.406 2.191 20 0 CEADMP O[C@H](C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000363256874 156019427 /nfs/dbraw/zinc/01/94/27/156019427.db2.gz PZHGOLOHCWPENR-XMTFNYHQSA-N 2 1 286.419 2.136 20 0 CEADMP O[C@H](C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000363256874 156019429 /nfs/dbraw/zinc/01/94/29/156019429.db2.gz PZHGOLOHCWPENR-XMTFNYHQSA-N 2 1 286.419 2.136 20 0 CEADMP O[C@H](C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000363256874 156019431 /nfs/dbraw/zinc/01/94/31/156019431.db2.gz PZHGOLOHCWPENR-XMTFNYHQSA-N 2 1 286.419 2.136 20 0 CEADMP c1nn2ccccc2c1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000367472337 156193564 /nfs/dbraw/zinc/19/35/64/156193564.db2.gz JEVMGDZKSQFAAH-NUJGCVRESA-N 2 1 296.418 2.250 20 0 CEADMP c1nn2ccccc2c1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000367472337 156193568 /nfs/dbraw/zinc/19/35/68/156193568.db2.gz JEVMGDZKSQFAAH-NUJGCVRESA-N 2 1 296.418 2.250 20 0 CEADMP c1nn2ccccc2c1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000367472337 156193570 /nfs/dbraw/zinc/19/35/70/156193570.db2.gz JEVMGDZKSQFAAH-NUJGCVRESA-N 2 1 296.418 2.250 20 0 CEADMP c1nn2ccccc2c1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000367472337 156193574 /nfs/dbraw/zinc/19/35/74/156193574.db2.gz JEVMGDZKSQFAAH-NUJGCVRESA-N 2 1 296.418 2.250 20 0 CEADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000367530931 156201132 /nfs/dbraw/zinc/20/11/32/156201132.db2.gz KJLKQIHEFYHYSY-CBBWQLFWSA-N 2 1 272.408 2.214 20 0 CEADMP C[N@H+](Cc1ccno1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374843514 157021216 /nfs/dbraw/zinc/02/12/16/157021216.db2.gz VGBCTCOGFVNDFK-UHFFFAOYSA-N 2 1 286.379 2.418 20 0 CEADMP CCCCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375899059 157158883 /nfs/dbraw/zinc/15/88/83/157158883.db2.gz AIPCMOCYNPIMHY-INIZCTEOSA-N 2 1 267.461 2.277 20 0 CEADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)C1 ZINC000376413208 157218417 /nfs/dbraw/zinc/21/84/17/157218417.db2.gz UORXGVPAUYMLOG-BPKGMFCQSA-N 2 1 296.455 2.033 20 0 CEADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)C1 ZINC000376413208 157218420 /nfs/dbraw/zinc/21/84/20/157218420.db2.gz UORXGVPAUYMLOG-BPKGMFCQSA-N 2 1 296.455 2.033 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)[C@@H]2CCOC2)C1 ZINC000151130212 162302795 /nfs/dbraw/zinc/30/27/95/162302795.db2.gz IYQGJILFBXTVLD-ZNMIVQPWSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000168680446 162369435 /nfs/dbraw/zinc/36/94/35/162369435.db2.gz CDZJIVBIAQXPBU-VXGBXAGGSA-N 2 1 295.814 2.338 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCOCC1 ZINC000366207888 287014407 /nfs/dbraw/zinc/01/44/07/287014407.db2.gz FITTUKRRMUYZFL-OHRKKDJYSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCOCC1 ZINC000366207888 287014408 /nfs/dbraw/zinc/01/44/08/287014408.db2.gz FITTUKRRMUYZFL-OHRKKDJYSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)C1CCOCC1 ZINC000133303113 287026570 /nfs/dbraw/zinc/02/65/70/287026570.db2.gz JMGROJYGKOKMIY-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)C1CCOCC1 ZINC000133303113 287026571 /nfs/dbraw/zinc/02/65/71/287026571.db2.gz JMGROJYGKOKMIY-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)ccn1 ZINC000559893634 298628034 /nfs/dbraw/zinc/62/80/34/298628034.db2.gz HKNJFSNKPYUFEX-UONOGXRCSA-N 2 1 277.412 2.473 20 0 CEADMP C[NH+](CCCCC[N@H+](C)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000172653962 165062594 /nfs/dbraw/zinc/06/25/94/165062594.db2.gz ARUFXXQYPBTWGH-IRXDYDNUSA-N 2 1 298.471 2.378 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000173616778 165077968 /nfs/dbraw/zinc/07/79/68/165077968.db2.gz NCMOXCVUHFASIC-HNNXBMFYSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178304478 165230744 /nfs/dbraw/zinc/23/07/44/165230744.db2.gz LVOKDJBJRBBILI-UBHSHLNASA-N 2 1 264.417 2.252 20 0 CEADMP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cnn(C)c1 ZINC000178409182 165238554 /nfs/dbraw/zinc/23/85/54/165238554.db2.gz SLGFNKAQCUXQKB-HNNXBMFYSA-N 2 1 264.417 2.337 20 0 CEADMP Cc1nc(C[C@@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)no1 ZINC000179268898 165274698 /nfs/dbraw/zinc/27/46/98/165274698.db2.gz VXRNOHUMFLKTDJ-GJZGRUSLSA-N 2 1 292.427 2.117 20 0 CEADMP Cc1nc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)no1 ZINC000179268898 165274700 /nfs/dbraw/zinc/27/47/00/165274700.db2.gz VXRNOHUMFLKTDJ-GJZGRUSLSA-N 2 1 292.427 2.117 20 0 CEADMP Cc1nc(C[C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)no1 ZINC000179268898 165274705 /nfs/dbraw/zinc/27/47/05/165274705.db2.gz VXRNOHUMFLKTDJ-GJZGRUSLSA-N 2 1 292.427 2.117 20 0 CEADMP CN1CC[N@@H+](CCCn2ccnc2)C2(CCCCC2)C1 ZINC000183184605 165387747 /nfs/dbraw/zinc/38/77/47/165387747.db2.gz VOJVEMQOFXVVJM-UHFFFAOYSA-N 2 1 276.428 2.224 20 0 CEADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CCCCCC[NH3+] ZINC000370767663 287215359 /nfs/dbraw/zinc/21/53/59/287215359.db2.gz VFMXRZBTPBBQJK-HZPDHXFCSA-N 2 1 295.471 2.371 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(O)c2)CC1 ZINC000020189549 171055281 /nfs/dbraw/zinc/05/52/81/171055281.db2.gz CIKHOEGTTVDQOE-UHFFFAOYSA-N 2 1 278.396 2.365 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037167001 173001014 /nfs/dbraw/zinc/00/10/14/173001014.db2.gz AGRSAGDYOYJRKT-PNRVRQOCSA-N 2 1 267.461 2.178 20 0 CEADMP CC(C)C[C@@H](CN(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037167001 173001017 /nfs/dbraw/zinc/00/10/17/173001017.db2.gz AGRSAGDYOYJRKT-PNRVRQOCSA-N 2 1 267.461 2.178 20 0 CEADMP CC(C)C[C@@H](CN(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037167001 173001019 /nfs/dbraw/zinc/00/10/19/173001019.db2.gz AGRSAGDYOYJRKT-PNRVRQOCSA-N 2 1 267.461 2.178 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000037248435 173060708 /nfs/dbraw/zinc/06/07/08/173060708.db2.gz ZUTBZTUJQIEJRU-GFCCVEGCSA-N 2 1 276.380 2.203 20 0 CEADMP COCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285695134 196368890 /nfs/dbraw/zinc/36/88/90/196368890.db2.gz VOOWBALHZDNTRO-KRWDZBQOSA-N 2 1 274.408 2.231 20 0 CEADMP COCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285695134 196368891 /nfs/dbraw/zinc/36/88/91/196368891.db2.gz VOOWBALHZDNTRO-KRWDZBQOSA-N 2 1 274.408 2.231 20 0 CEADMP COCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285695134 196368892 /nfs/dbraw/zinc/36/88/92/196368892.db2.gz VOOWBALHZDNTRO-KRWDZBQOSA-N 2 1 274.408 2.231 20 0 CEADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1O ZINC000037408254 173184915 /nfs/dbraw/zinc/18/49/15/173184915.db2.gz XRBQAFLRWJXRJT-AWEZNQCLSA-N 2 1 290.407 2.365 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000352526373 287282064 /nfs/dbraw/zinc/28/20/64/287282064.db2.gz MZUORRBFPGRITO-ARFHVFGLSA-N 2 1 266.429 2.267 20 0 CEADMP C[NH2+]C[C@@H]1CCCN(Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000040601359 174351458 /nfs/dbraw/zinc/35/14/58/174351458.db2.gz XQSQKJOPCMTDAP-AWEZNQCLSA-N 2 1 277.412 2.138 20 0 CEADMP CCc1nocc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000656980615 414757391 /nfs/dbraw/zinc/75/73/91/414757391.db2.gz SHSWPNIWCQPBSI-UHFFFAOYSA-N 2 1 256.309 2.175 20 0 CEADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)C[NH2+]C2 ZINC000662840239 414770407 /nfs/dbraw/zinc/77/04/07/414770407.db2.gz ZUKPSYDKKJEXDD-IAGOWNOFSA-N 2 1 299.418 2.037 20 0 CEADMP C[C@@H](O)C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CC1 ZINC000653900369 414782085 /nfs/dbraw/zinc/78/20/85/414782085.db2.gz UTIYDEAURZPBKC-CYBMUJFWSA-N 2 1 271.364 2.218 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)N2[C@H](C)CCC[C@H]2C)[C@@H]1CC[NH3+] ZINC000404379089 414783825 /nfs/dbraw/zinc/78/38/25/414783825.db2.gz SZMYLMSUOOPQEN-KLHDSHLOSA-N 2 1 295.471 2.225 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000404434225 414784091 /nfs/dbraw/zinc/78/40/91/414784091.db2.gz QIWQHUZBYHVWMT-WBMJQRKESA-N 2 1 277.412 2.348 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cn1 ZINC000404522607 414787016 /nfs/dbraw/zinc/78/70/16/414787016.db2.gz XILPLDZFGUOZQK-DZGCQCFKSA-N 2 1 264.417 2.413 20 0 CEADMP Cc1ncc(C[NH2+]Cc2cccnc2OC(C)C)n1C ZINC000657313127 414855812 /nfs/dbraw/zinc/85/58/12/414855812.db2.gz FNHVANOAMSPTKP-UHFFFAOYSA-N 2 1 274.368 2.201 20 0 CEADMP c1nc2n(c1CNC1(c3ccc4c(c3)OCO4)CC1)CCC2 ZINC000657402915 414915663 /nfs/dbraw/zinc/91/56/63/414915663.db2.gz LLKQNVHAPULBBT-UHFFFAOYSA-N 2 1 297.358 2.337 20 0 CEADMP c1nn2c(c1C[NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CCC2 ZINC000663344509 414921979 /nfs/dbraw/zinc/92/19/79/414921979.db2.gz URWYENAJJWSQGU-HNNXBMFYSA-N 2 1 288.439 2.041 20 0 CEADMP c1nn2c(c1C[NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000663344509 414921981 /nfs/dbraw/zinc/92/19/81/414921981.db2.gz URWYENAJJWSQGU-HNNXBMFYSA-N 2 1 288.439 2.041 20 0 CEADMP CCc1nc(C)c(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)o1 ZINC000660665713 414928746 /nfs/dbraw/zinc/92/87/46/414928746.db2.gz XJOKWHMQAOAEGX-INIZCTEOSA-N 2 1 277.412 2.463 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@H]1CC[NH2+][C@@H]1C)C1CCCCC1 ZINC000653200344 414943603 /nfs/dbraw/zinc/94/36/03/414943603.db2.gz AXZODFASENJHGS-ZBFHGGJFSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657343963 414871751 /nfs/dbraw/zinc/87/17/51/414871751.db2.gz YSSOWQCBQYHLQL-AWEZNQCLSA-N 2 1 287.411 2.087 20 0 CEADMP CC[NH+]1CCC(C[NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000657347687 414875664 /nfs/dbraw/zinc/87/56/64/414875664.db2.gz WGRWSQCIZUCBCE-UHFFFAOYSA-N 2 1 299.422 2.089 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@@H](C)Cc1cccc(F)c1 ZINC000660781808 414970962 /nfs/dbraw/zinc/97/09/62/414970962.db2.gz WVBWGHGBEHDAKA-YOEHRIQHSA-N 2 1 296.430 2.390 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000660781808 414970967 /nfs/dbraw/zinc/97/09/67/414970967.db2.gz WVBWGHGBEHDAKA-YOEHRIQHSA-N 2 1 296.430 2.390 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000660781808 414970970 /nfs/dbraw/zinc/97/09/70/414970970.db2.gz WVBWGHGBEHDAKA-YOEHRIQHSA-N 2 1 296.430 2.390 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000657491444 414971522 /nfs/dbraw/zinc/97/15/22/414971522.db2.gz GFCRPCKOBDKYFK-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCOCCc1ccccc1 ZINC000653298913 414979114 /nfs/dbraw/zinc/97/91/14/414979114.db2.gz RUQXVFKEZVENDC-DOTOQJQBSA-N 2 1 276.424 2.447 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)[C@H]1CC1(C)C ZINC000660823992 414992226 /nfs/dbraw/zinc/99/22/26/414992226.db2.gz IYOIYVUJIQPWQO-MCIONIFRSA-N 2 1 256.434 2.102 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C/C=C/CO)CC[N@@H+]1Cc1ccccc1 ZINC000657593536 415015230 /nfs/dbraw/zinc/01/52/30/415015230.db2.gz ICAXZNFAGSESPD-AMFYOEQGSA-N 2 1 274.408 2.178 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C/C=C/CO)CC[N@H+]1Cc1ccccc1 ZINC000657593536 415015234 /nfs/dbraw/zinc/01/52/34/415015234.db2.gz ICAXZNFAGSESPD-AMFYOEQGSA-N 2 1 274.408 2.178 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000657596854 415017248 /nfs/dbraw/zinc/01/72/48/415017248.db2.gz ZTGAFJGWVBBOCT-CXAGYDPISA-N 2 1 274.408 2.141 20 0 CEADMP COc1ccc(C(C)C)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000653501782 415018075 /nfs/dbraw/zinc/01/80/75/415018075.db2.gz IHKRXZIOJBJMAM-HOTGVXAUSA-N 2 1 274.408 2.470 20 0 CEADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465839 414963911 /nfs/dbraw/zinc/96/39/11/414963911.db2.gz LSCPLUVWWLZPFJ-HOTGVXAUSA-N 2 1 288.439 2.430 20 0 CEADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465839 414963916 /nfs/dbraw/zinc/96/39/16/414963916.db2.gz LSCPLUVWWLZPFJ-HOTGVXAUSA-N 2 1 288.439 2.430 20 0 CEADMP Cc1ccc(F)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751400 415068194 /nfs/dbraw/zinc/06/81/94/415068194.db2.gz IHDLJRUMYQFRTK-QGZVFWFLSA-N 2 1 292.398 2.477 20 0 CEADMP Cn1c[nH+]cc1CCCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000653558052 415033935 /nfs/dbraw/zinc/03/39/35/415033935.db2.gz SMEJAVNTZKLNGX-UHFFFAOYSA-N 2 1 290.455 2.303 20 0 CEADMP Cn1c[nH+]cc1CCCN1CCC[N@H+](C2CCCC2)CC1 ZINC000653558052 415033939 /nfs/dbraw/zinc/03/39/39/415033939.db2.gz SMEJAVNTZKLNGX-UHFFFAOYSA-N 2 1 290.455 2.303 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000653777833 415102497 /nfs/dbraw/zinc/10/24/97/415102497.db2.gz XNEQCHGFPYIEME-JYJNAYRXSA-N 2 1 282.472 2.447 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000653777833 415102502 /nfs/dbraw/zinc/10/25/02/415102502.db2.gz XNEQCHGFPYIEME-JYJNAYRXSA-N 2 1 282.472 2.447 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000653777833 415102506 /nfs/dbraw/zinc/10/25/06/415102506.db2.gz XNEQCHGFPYIEME-JYJNAYRXSA-N 2 1 282.472 2.447 20 0 CEADMP Cc1cccc(N2CCC([N@@H+]3CCCOCC3)CC2)[nH+]1 ZINC000664011299 415122529 /nfs/dbraw/zinc/12/25/29/415122529.db2.gz NAALJCRBPLUJIA-UHFFFAOYSA-N 2 1 275.396 2.081 20 0 CEADMP Cc1cccc(N2CCC([N@H+]3CCCOCC3)CC2)[nH+]1 ZINC000664011299 415122532 /nfs/dbraw/zinc/12/25/32/415122532.db2.gz NAALJCRBPLUJIA-UHFFFAOYSA-N 2 1 275.396 2.081 20 0 CEADMP CN(C[C@H](O)C[N@H+]1CCCC2(CCCC2)CC1)C1CC1 ZINC000661230527 415146521 /nfs/dbraw/zinc/14/65/21/415146521.db2.gz BFSSZCFCQZITMV-INIZCTEOSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCCC2(CCCC2)CC1)C1CC1 ZINC000661230527 415146526 /nfs/dbraw/zinc/14/65/26/415146526.db2.gz BFSSZCFCQZITMV-INIZCTEOSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC2(CCCC2)CC1)C1CC1 ZINC000661230527 415146532 /nfs/dbraw/zinc/14/65/32/415146532.db2.gz BFSSZCFCQZITMV-INIZCTEOSA-N 2 1 280.456 2.488 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCCC2(CCCC2)CC1)C1CC1 ZINC000661230527 415146536 /nfs/dbraw/zinc/14/65/36/415146536.db2.gz BFSSZCFCQZITMV-INIZCTEOSA-N 2 1 280.456 2.488 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCCC2(CCCC2)CC1)C1CC1 ZINC000661230527 415146541 /nfs/dbraw/zinc/14/65/41/415146541.db2.gz BFSSZCFCQZITMV-INIZCTEOSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000658034816 415167782 /nfs/dbraw/zinc/16/77/82/415167782.db2.gz JGKXQFZSXBSDJH-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC2CC(OC)C2)[C@@H](C)C1 ZINC000658061984 415183072 /nfs/dbraw/zinc/18/30/72/415183072.db2.gz QHMBFIQZKHDKRQ-PPWQZUPISA-N 2 1 254.418 2.121 20 0 CEADMP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044513726 175189621 /nfs/dbraw/zinc/18/96/21/175189621.db2.gz OBADCYTXDAMKRF-UHFFFAOYSA-N 2 1 295.814 2.258 20 0 CEADMP Cc1cnc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000664196443 415219728 /nfs/dbraw/zinc/21/97/28/415219728.db2.gz SXPCSPIZOGGSBU-NSHDSACASA-N 2 1 270.446 2.135 20 0 CEADMP Cc1cnc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000664196443 415219733 /nfs/dbraw/zinc/21/97/33/415219733.db2.gz SXPCSPIZOGGSBU-NSHDSACASA-N 2 1 270.446 2.135 20 0 CEADMP C[C@@H](CCNc1cc[nH+]cc1Br)[NH+](C)C ZINC000664245572 415242160 /nfs/dbraw/zinc/24/21/60/415242160.db2.gz PVQIGTPHONSZRI-VIFPVBQESA-N 2 1 272.190 2.018 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OCC)C2)[C@H](C)C1 ZINC000658163971 415243760 /nfs/dbraw/zinc/24/37/60/415243760.db2.gz ULVMFXWIYMFQER-VQHPVUNQSA-N 2 1 298.471 2.281 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](OCC)C2)[C@H](C)C1 ZINC000658163969 415244398 /nfs/dbraw/zinc/24/43/98/415244398.db2.gz ULVMFXWIYMFQER-QBPKDAKJSA-N 2 1 298.471 2.281 20 0 CEADMP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(OC)c1 ZINC000661473734 415277756 /nfs/dbraw/zinc/27/77/56/415277756.db2.gz RIYIFQGOQXWFTR-DOTOQJQBSA-N 2 1 292.423 2.457 20 0 CEADMP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(OC)c1 ZINC000661473734 415277763 /nfs/dbraw/zinc/27/77/63/415277763.db2.gz RIYIFQGOQXWFTR-DOTOQJQBSA-N 2 1 292.423 2.457 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc2ccccc2[nH]1 ZINC000664197490 415222211 /nfs/dbraw/zinc/22/22/11/415222211.db2.gz YPKRFKQVVGHZOH-ZDUSSCGKSA-N 2 1 289.427 2.247 20 0 CEADMP CC1(C)C[C@]1(C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658300318 415307426 /nfs/dbraw/zinc/30/74/26/415307426.db2.gz DRIXEKXTIPQLST-ZBFHGGJFSA-N 2 1 266.429 2.408 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCC1 ZINC000658316836 415313833 /nfs/dbraw/zinc/31/38/33/415313833.db2.gz SPGBASUQLXPOHU-BPLDGKMQSA-N 2 1 254.418 2.264 20 0 CEADMP CC1(C)OCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658333290 415322748 /nfs/dbraw/zinc/32/27/48/415322748.db2.gz XFURETBOAKPRGV-LBPRGKRZSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CC(N)=O)CCCCC2)[C@H](C)C1 ZINC000658337305 415323230 /nfs/dbraw/zinc/32/32/30/415323230.db2.gz FZUSVHAAGPSWLV-HUUCEWRRSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655716421 415407879 /nfs/dbraw/zinc/40/78/79/415407879.db2.gz XCKBPQYFMLGMOE-SJORKVTESA-N 2 1 298.471 2.017 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCn2ccnc21 ZINC000655716610 415408142 /nfs/dbraw/zinc/40/81/42/415408142.db2.gz ZFLKWQWQNRJMTQ-AWEZNQCLSA-N 2 1 273.384 2.293 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCCS1 ZINC000655723555 415411247 /nfs/dbraw/zinc/41/12/47/415411247.db2.gz POZWNTOETKIGJZ-HUUCEWRRSA-N 2 1 284.469 2.115 20 0 CEADMP C[C@@]1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCS1 ZINC000655722507 415412978 /nfs/dbraw/zinc/41/29/78/415412978.db2.gz CINGBNLXIKYLKB-CABCVRRESA-N 2 1 284.469 2.115 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CS1 ZINC000655772336 415452848 /nfs/dbraw/zinc/45/28/48/415452848.db2.gz NOKDUARZWNQPAN-WSOGJNRSSA-N 2 1 254.443 2.485 20 0 CEADMP CC[NH+]1CCC(N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655848154 415515495 /nfs/dbraw/zinc/51/54/95/415515495.db2.gz GCLDILVLXXLCMT-JKSUJKDBSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@H+]1C ZINC000655848983 415518081 /nfs/dbraw/zinc/51/80/81/415518081.db2.gz NGGAUTIGQJGOBQ-FPCVCCKLSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC[NH+]1C ZINC000655848983 415518091 /nfs/dbraw/zinc/51/80/91/415518091.db2.gz NGGAUTIGQJGOBQ-FPCVCCKLSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN3CCCC[C@@H]23)CCN1C ZINC000655848983 415518094 /nfs/dbraw/zinc/51/80/94/415518094.db2.gz NGGAUTIGQJGOBQ-FPCVCCKLSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1noc2ccccc21 ZINC000655942365 415558958 /nfs/dbraw/zinc/55/89/58/415558958.db2.gz OVLLHTLLDVQJCW-VXGBXAGGSA-N 2 1 259.353 2.182 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2noc3ccccc32)C1 ZINC000655938159 415560239 /nfs/dbraw/zinc/56/02/39/415560239.db2.gz OCAZHXZVZSAQCR-STQMWFEESA-N 2 1 273.380 2.430 20 0 CEADMP CN(C)c1[nH+]cc(CNc2cccc(C[NH+](C)C)c2)n1C ZINC000070143197 175874846 /nfs/dbraw/zinc/87/48/46/175874846.db2.gz NDWADIPXYDJSCM-UHFFFAOYSA-N 2 1 287.411 2.160 20 0 CEADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000656194921 415629444 /nfs/dbraw/zinc/62/94/44/415629444.db2.gz UVWRBKFQZGPHTP-DYEKYZERSA-N 2 1 276.380 2.106 20 0 CEADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](N)c3ccccc32)C1 ZINC000656200839 415635966 /nfs/dbraw/zinc/63/59/66/415635966.db2.gz RQRFRHMTRFQXAP-KOZAUXTDSA-N 2 1 259.397 2.061 20 0 CEADMP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCCOCC2)c1 ZINC000665254391 415652991 /nfs/dbraw/zinc/65/29/91/415652991.db2.gz PFXHWOTXLYYTDM-ULQDDVLXSA-N 2 1 292.398 2.430 20 0 CEADMP Cc1ccc(C)c(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662147390 415656727 /nfs/dbraw/zinc/65/67/27/415656727.db2.gz FPADLRUYPURDJV-GOSISDBHSA-N 2 1 288.435 2.334 20 0 CEADMP Cc1ccc(C)c(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662147390 415656740 /nfs/dbraw/zinc/65/67/40/415656740.db2.gz FPADLRUYPURDJV-GOSISDBHSA-N 2 1 288.435 2.334 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665267006 415660858 /nfs/dbraw/zinc/66/08/58/415660858.db2.gz NTFRYZUBVKKQRW-INMHGKMJSA-N 2 1 279.472 2.371 20 0 CEADMP CC(C)CO[C@@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1(C)C ZINC000665279185 415668942 /nfs/dbraw/zinc/66/89/42/415668942.db2.gz YUASNFRRQHBIJS-IOSBVQAASA-N 2 1 266.429 2.168 20 0 CEADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCCCc3ccccc32)n1 ZINC000665291860 415679800 /nfs/dbraw/zinc/67/98/00/415679800.db2.gz MVBAMEMDTYKBCC-HNNXBMFYSA-N 2 1 298.390 2.198 20 0 CEADMP CCn1nccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000665299807 415688618 /nfs/dbraw/zinc/68/86/18/415688618.db2.gz TYQRDQNIPVKEGR-ARFHVFGLSA-N 2 1 276.428 2.303 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000071146515 176042683 /nfs/dbraw/zinc/04/26/83/176042683.db2.gz FDQCHEAQRSPMHC-CYBMUJFWSA-N 2 1 271.364 2.383 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000071146515 176042684 /nfs/dbraw/zinc/04/26/84/176042684.db2.gz FDQCHEAQRSPMHC-CYBMUJFWSA-N 2 1 271.364 2.383 20 0 CEADMP CC[C@H]([NH3+])c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455345 415716052 /nfs/dbraw/zinc/71/60/52/415716052.db2.gz DLOHFCSNNXHMPN-GJZGRUSLSA-N 2 1 285.395 2.135 20 0 CEADMP CCC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255679 415719734 /nfs/dbraw/zinc/71/97/34/415719734.db2.gz DDSMQMDVCIPKGS-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256333 415724558 /nfs/dbraw/zinc/72/45/58/415724558.db2.gz KWKSYJYJPNHHEZ-LSDHHAIUSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCC(C)(C)CC1 ZINC000662256930 415726196 /nfs/dbraw/zinc/72/61/96/415726196.db2.gz ZQUHORHJXLWLGL-AWEZNQCLSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000656476713 415733170 /nfs/dbraw/zinc/73/31/70/415733170.db2.gz RHYUYJROILMEHG-SJLPKXTDSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000656476713 415733173 /nfs/dbraw/zinc/73/31/73/415733173.db2.gz RHYUYJROILMEHG-SJLPKXTDSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000656476713 415733178 /nfs/dbraw/zinc/73/31/78/415733178.db2.gz RHYUYJROILMEHG-SJLPKXTDSA-N 2 1 287.451 2.287 20 0 CEADMP CO[C@@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)C1CCC1 ZINC000662234836 415699858 /nfs/dbraw/zinc/69/98/58/415699858.db2.gz NWYRLNNEQDBYNS-HNNXBMFYSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCO[C@@H]2CC2(F)F)CC1 ZINC000659865331 415744465 /nfs/dbraw/zinc/74/44/65/415744465.db2.gz AZNGITJFBBYGSM-CYBMUJFWSA-N 2 1 276.371 2.215 20 0 CEADMP c1c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)onc1C1CC1 ZINC000662274087 415737978 /nfs/dbraw/zinc/73/79/78/415737978.db2.gz RAMSSQXFSMRUEK-KBPBESRZSA-N 2 1 275.396 2.374 20 0 CEADMP CCCc1noc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662298693 415761896 /nfs/dbraw/zinc/76/18/96/415761896.db2.gz WVPMYCHFQVLQFW-AWEZNQCLSA-N 2 1 292.427 2.234 20 0 CEADMP C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000662302410 415764613 /nfs/dbraw/zinc/76/46/13/415764613.db2.gz XQGSFYGPNQZJHI-KBXCAEBGSA-N 2 1 288.435 2.315 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000662318998 415777844 /nfs/dbraw/zinc/77/78/44/415777844.db2.gz IQKUOTYHFZMVAV-WDEREUQCSA-N 2 1 266.389 2.416 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000662318998 415777848 /nfs/dbraw/zinc/77/78/48/415777848.db2.gz IQKUOTYHFZMVAV-WDEREUQCSA-N 2 1 266.389 2.416 20 0 CEADMP c1cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c2c(c1)C[NH2+]CC2 ZINC000662315366 415774971 /nfs/dbraw/zinc/77/49/71/415774971.db2.gz MTRLKUYLHCLPTL-SFHVURJKSA-N 2 1 286.419 2.335 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC000662286125 415753761 /nfs/dbraw/zinc/75/37/61/415753761.db2.gz OIZCTAFHMWZAJE-DBHDPKECSA-N 2 1 278.440 2.251 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662293804 415759657 /nfs/dbraw/zinc/75/96/57/415759657.db2.gz NZNWSIZJYASBFZ-QGZVFWFLSA-N 2 1 290.455 2.212 20 0 CEADMP C[C@H](c1ccncc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321409 415779174 /nfs/dbraw/zinc/77/91/74/415779174.db2.gz HYSVTFWIXSKDNM-GDBMZVCRSA-N 2 1 277.412 2.185 20 0 CEADMP C[C@H](c1ccncc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321409 415779180 /nfs/dbraw/zinc/77/91/80/415779180.db2.gz HYSVTFWIXSKDNM-GDBMZVCRSA-N 2 1 277.412 2.185 20 0 CEADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H](CC(F)(F)F)O1 ZINC000662326109 415780155 /nfs/dbraw/zinc/78/01/55/415780155.db2.gz NWXLNXFWFFUDKX-WCQYABFASA-N 2 1 294.361 2.418 20 0 CEADMP CO[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CCCC1 ZINC000659947767 415800474 /nfs/dbraw/zinc/80/04/74/415800474.db2.gz NEMQVPXIIUTIJD-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000659947767 415800478 /nfs/dbraw/zinc/80/04/78/415800478.db2.gz NEMQVPXIIUTIJD-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000659947767 415800481 /nfs/dbraw/zinc/80/04/81/415800481.db2.gz NEMQVPXIIUTIJD-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP C[N@H+](CCO[C@@H]1CC1(F)F)CC[C@@H]1CCCC[NH+]1C ZINC000659961499 415811348 /nfs/dbraw/zinc/81/13/48/415811348.db2.gz PIZQGOPBSBUTKK-QWHCGFSZSA-N 2 1 276.371 2.217 20 0 CEADMP C[N@@H+](CCO[C@@H]1CC1(F)F)CC[C@@H]1CCCC[NH+]1C ZINC000659961499 415811353 /nfs/dbraw/zinc/81/13/53/415811353.db2.gz PIZQGOPBSBUTKK-QWHCGFSZSA-N 2 1 276.371 2.217 20 0 CEADMP C[NH+](CCO[C@@H]1CC1(F)F)CC[C@@H]1CCCC[N@@H+]1C ZINC000659961499 415811358 /nfs/dbraw/zinc/81/13/58/415811358.db2.gz PIZQGOPBSBUTKK-QWHCGFSZSA-N 2 1 276.371 2.217 20 0 CEADMP C[NH+](CCO[C@@H]1CC1(F)F)CC[C@@H]1CCCC[N@H+]1C ZINC000659961499 415811364 /nfs/dbraw/zinc/81/13/64/415811364.db2.gz PIZQGOPBSBUTKK-QWHCGFSZSA-N 2 1 276.371 2.217 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000662497958 415866986 /nfs/dbraw/zinc/86/69/86/415866986.db2.gz KKJPFJFXZFZFOT-HOTGVXAUSA-N 2 1 297.487 2.092 20 0 CEADMP Cc1[nH+]cc(CNc2cc[nH+]c(C)c2Cl)n1C ZINC000656772506 415853380 /nfs/dbraw/zinc/85/33/80/415853380.db2.gz ISVPIYGSFYHSSZ-UHFFFAOYSA-N 2 1 250.733 2.119 20 0 CEADMP Cn1ncc(Cl)c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656781989 415857726 /nfs/dbraw/zinc/85/77/26/415857726.db2.gz BWNHUQRDFZOMEG-ZDUSSCGKSA-N 2 1 296.846 2.285 20 0 CEADMP COCC(C)(C)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783844 415859110 /nfs/dbraw/zinc/85/91/10/415859110.db2.gz VEKRSAUQCATGJS-HNNXBMFYSA-N 2 1 268.445 2.371 20 0 CEADMP [NH3+][C@@H](CNCc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000656787091 415861238 /nfs/dbraw/zinc/86/12/38/415861238.db2.gz SXLVOPNXUZMBPB-SFHVURJKSA-N 2 1 281.403 2.122 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000656791143 415864986 /nfs/dbraw/zinc/86/49/86/415864986.db2.gz DMDDYLBCMMOKAD-HOTGVXAUSA-N 2 1 266.429 2.267 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)NCC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000662729083 415946276 /nfs/dbraw/zinc/94/62/76/415946276.db2.gz ZZSPHEGDFFXFNY-CVEARBPZSA-N 2 1 291.439 2.169 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C[NH3+])CC(C)C)[C@H](C)C1 ZINC000662746098 415951570 /nfs/dbraw/zinc/95/15/70/415951570.db2.gz QKHHDGBNYQRYDU-OWCLPIDISA-N 2 1 297.487 2.186 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CC2([NH3+])CC2)cc1 ZINC000662750584 415951909 /nfs/dbraw/zinc/95/19/09/415951909.db2.gz OLGMYOKYWTYWIS-GFCCVEGCSA-N 2 1 298.390 2.239 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C)C(C)(C)C1 ZINC000660278245 415952135 /nfs/dbraw/zinc/95/21/35/415952135.db2.gz RHYPVCVIVTVFSF-UONOGXRCSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000660278245 415952136 /nfs/dbraw/zinc/95/21/36/415952136.db2.gz RHYPVCVIVTVFSF-UONOGXRCSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000660278245 415952140 /nfs/dbraw/zinc/95/21/40/415952140.db2.gz RHYPVCVIVTVFSF-UONOGXRCSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H]2CCCC[C@H]21 ZINC000660238600 415934881 /nfs/dbraw/zinc/93/48/81/415934881.db2.gz KWGPRWDRNBVFAZ-KLHDSHLOSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H]2CCCC[C@H]21 ZINC000660238600 415934884 /nfs/dbraw/zinc/93/48/84/415934884.db2.gz KWGPRWDRNBVFAZ-KLHDSHLOSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H]2CCCC[C@H]21 ZINC000660238600 415934887 /nfs/dbraw/zinc/93/48/87/415934887.db2.gz KWGPRWDRNBVFAZ-KLHDSHLOSA-N 2 1 268.445 2.198 20 0 CEADMP Cc1nc(C)c(C[NH2+]CC(C)(C)C[NH+](C)C)s1 ZINC000076864988 177124925 /nfs/dbraw/zinc/12/49/25/177124925.db2.gz UXJDZTZPWJRPSV-UHFFFAOYSA-N 2 1 255.431 2.437 20 0 CEADMP [NH3+]C1(c2noc([C@H]3CCn4cc[nH+]c4C3)n2)CCCCC1 ZINC000333645750 228207959 /nfs/dbraw/zinc/20/79/59/228207959.db2.gz YCIPVLCARYIMRZ-NSHDSACASA-N 2 1 287.367 2.114 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000665936194 419482717 /nfs/dbraw/zinc/48/27/17/419482717.db2.gz SSKARBFWWOEHPF-CYBMUJFWSA-N 2 1 298.390 2.215 20 0 CEADMP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666769297 419426168 /nfs/dbraw/zinc/42/61/68/419426168.db2.gz YIQLNCSAYAOGEK-KBPBESRZSA-N 2 1 260.381 2.284 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc2ccccc2nc1OC ZINC000666796276 419431769 /nfs/dbraw/zinc/43/17/69/419431769.db2.gz FXYSWAATWPJQOA-GFCCVEGCSA-N 2 1 273.380 2.189 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)C(C)(C)C ZINC000667040122 419526651 /nfs/dbraw/zinc/52/66/51/419526651.db2.gz VBNOWPYINPWWJH-OCCSQVGLSA-N 2 1 279.432 2.056 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc12 ZINC000666968809 419498619 /nfs/dbraw/zinc/49/86/19/419498619.db2.gz HFZVTJLNOWOYHJ-HOCLYGCPSA-N 2 1 299.422 2.230 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996832 419506297 /nfs/dbraw/zinc/50/62/97/419506297.db2.gz HUEWWPMCAHXMSP-CQSZACIVSA-N 2 1 284.407 2.407 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1C ZINC000666998208 419507744 /nfs/dbraw/zinc/50/77/44/419507744.db2.gz IGCFVSOWEBMBLG-CQSZACIVSA-N 2 1 276.428 2.284 20 0 CEADMP Cc1[nH+]cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)n1C ZINC000667659096 419757328 /nfs/dbraw/zinc/75/73/28/419757328.db2.gz ZOPNXRQAJGVKBK-HNNXBMFYSA-N 2 1 276.428 2.179 20 0 CEADMP C[C@@H]1C[C@@H](N(C)Cc2ccnn2-c2cc[nH+]cc2)CC[N@H+]1C ZINC000667667940 419766050 /nfs/dbraw/zinc/76/60/50/419766050.db2.gz ZEYVWVKTINTCNP-ZBFHGGJFSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](Cc3ccncc3)C2)CC[NH2+]1 ZINC000666693943 419778645 /nfs/dbraw/zinc/77/86/45/419778645.db2.gz NNYGGOQTQUDWLR-DJIMGWMZSA-N 2 1 273.424 2.334 20 0 CEADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000667780059 419800404 /nfs/dbraw/zinc/80/04/04/419800404.db2.gz VCCXIUPKESNAGV-AWEZNQCLSA-N 2 1 290.411 2.012 20 0 CEADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000667769218 419796704 /nfs/dbraw/zinc/79/67/04/419796704.db2.gz QKVZZIYNZQQZCM-OAHLLOKOSA-N 2 1 290.411 2.012 20 0 CEADMP CN(CCC[N@H+]1CC[C@@H](C[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000497121925 260004280 /nfs/dbraw/zinc/00/42/80/260004280.db2.gz AMWHSLXVXJWIBG-AWEZNQCLSA-N 2 1 299.459 2.127 20 0 CEADMP C[N@@H+](CCN[C@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000517589076 260197043 /nfs/dbraw/zinc/19/70/43/260197043.db2.gz YDGANCKVVSUTNN-KGLIPLIRSA-N 2 1 253.434 2.110 20 0 CEADMP CC[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCC1 ZINC000449153021 260259374 /nfs/dbraw/zinc/25/93/74/260259374.db2.gz IFMQKOWLIBKXCN-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@H]1CNC(=O)OC(C)(C)C ZINC000497254011 262127534 /nfs/dbraw/zinc/12/75/34/262127534.db2.gz QYOYOMMXWUMHHI-QWHCGFSZSA-N 2 1 299.459 2.206 20 0 CEADMP C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@H]1CNC(=O)OC(C)(C)C ZINC000497254011 262127536 /nfs/dbraw/zinc/12/75/36/262127536.db2.gz QYOYOMMXWUMHHI-QWHCGFSZSA-N 2 1 299.459 2.206 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCc1cccc(OC)c1 ZINC000019933417 262179926 /nfs/dbraw/zinc/17/99/26/262179926.db2.gz PKWIXEPGRHBLJS-HNNXBMFYSA-N 2 1 262.397 2.312 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCc1cccc(OC)c1 ZINC000019933417 262179929 /nfs/dbraw/zinc/17/99/29/262179929.db2.gz PKWIXEPGRHBLJS-HNNXBMFYSA-N 2 1 262.397 2.312 20 0 CEADMP C[C@H]1C[C@H]1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488424090 262318342 /nfs/dbraw/zinc/31/83/42/262318342.db2.gz CFQSCFFSAOMLEY-YOEHRIQHSA-N 2 1 274.408 2.264 20 0 CEADMP COC[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000452042494 263031989 /nfs/dbraw/zinc/03/19/89/263031989.db2.gz UDEKAOCBFICZDJ-OAHLLOKOSA-N 2 1 254.418 2.363 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CF)CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000453308970 263226926 /nfs/dbraw/zinc/22/69/26/263226926.db2.gz MUGHMEIYXYSANA-KKUMJFAQSA-N 2 1 284.419 2.215 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000425419742 264296004 /nfs/dbraw/zinc/29/60/04/264296004.db2.gz NTXLDWGMLVALDJ-CVEARBPZSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000225877446 270309432 /nfs/dbraw/zinc/30/94/32/270309432.db2.gz IWTZUUUDYIVVCU-CQSZACIVSA-N 2 1 299.459 2.316 20 0 CEADMP C[N@@H+](Cc1cccs1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800494 270312012 /nfs/dbraw/zinc/31/20/12/270312012.db2.gz ULEOYILPKHBTIF-HOTGVXAUSA-N 2 1 290.432 2.111 20 0 CEADMP C[N@H+](Cc1cccs1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800494 270312014 /nfs/dbraw/zinc/31/20/14/270312014.db2.gz ULEOYILPKHBTIF-HOTGVXAUSA-N 2 1 290.432 2.111 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000235458135 270315444 /nfs/dbraw/zinc/31/54/44/270315444.db2.gz FYTWPCKNUNLPDG-GFCCVEGCSA-N 2 1 297.443 2.116 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000236748408 270316473 /nfs/dbraw/zinc/31/64/73/270316473.db2.gz DBGOJOSEQQWPLN-OAHLLOKOSA-N 2 1 295.471 2.276 20 0 CEADMP CCCC[C@@H](C[NH3+])NC(=O)CCn1cc[nH+]c1C(C)C ZINC000236812876 270317183 /nfs/dbraw/zinc/31/71/83/270317183.db2.gz PQLOBTXHUWVPPJ-ZDUSSCGKSA-N 2 1 280.416 2.030 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000392189468 270340893 /nfs/dbraw/zinc/34/08/93/270340893.db2.gz KGIRFPWUTYNEKO-UHFFFAOYSA-N 2 1 297.443 2.141 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(C)(C)[NH3+] ZINC000398081324 270355997 /nfs/dbraw/zinc/35/59/97/270355997.db2.gz BCSMAKYMEXQBAA-GOEBONIOSA-N 2 1 275.440 2.224 20 0 CEADMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H](C)[NH3+] ZINC000399385226 270369532 /nfs/dbraw/zinc/36/95/32/270369532.db2.gz KXXNIMNEOBNRMY-HOCLYGCPSA-N 2 1 297.487 2.377 20 0 CEADMP Cn1c(C[N@H+]2CCC[C@H](CC[NH3+])C2)nnc1-c1ccccc1 ZINC000420320808 270516744 /nfs/dbraw/zinc/51/67/44/270516744.db2.gz ZEBMJVJSISFXRQ-CQSZACIVSA-N 2 1 299.422 2.043 20 0 CEADMP COCC[C@H]1CCCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420376678 270532012 /nfs/dbraw/zinc/53/20/12/270532012.db2.gz QYIJAUAHPQUMJW-LSDHHAIUSA-N 2 1 254.418 2.125 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCCC1 ZINC000421819776 270663955 /nfs/dbraw/zinc/66/39/55/270663955.db2.gz IZMLHFOYIBFVRP-KBPBESRZSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC1([NH+](C)C)CCCC1 ZINC000422792230 270771235 /nfs/dbraw/zinc/77/12/35/270771235.db2.gz VULPCCARJYXATA-ZDUSSCGKSA-N 2 1 290.455 2.374 20 0 CEADMP OCC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000423057443 270825004 /nfs/dbraw/zinc/82/50/04/270825004.db2.gz ZSCRMZDUTMACNF-BARDWOONSA-N 2 1 278.396 2.213 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423781911 270945179 /nfs/dbraw/zinc/94/51/79/270945179.db2.gz YIQMULDEAHTELK-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(C(=O)N(C)C)cc1 ZINC000424369321 271050777 /nfs/dbraw/zinc/05/07/77/271050777.db2.gz BKJLWJHFVIUQFB-DAXOMENPSA-N 2 1 289.423 2.309 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424372437 271051589 /nfs/dbraw/zinc/05/15/89/271051589.db2.gz FRCZWKPKPHXZAC-CQSZACIVSA-N 2 1 289.423 2.363 20 0 CEADMP CC(C)[C@@H]([NH3+])CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000429145014 271308645 /nfs/dbraw/zinc/30/86/45/271308645.db2.gz UNCANMLEOSNUQA-KBPBESRZSA-N 2 1 297.830 2.042 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000429337549 271323652 /nfs/dbraw/zinc/32/36/52/271323652.db2.gz UUJLDVHANHAFBB-MRXNPFEDSA-N 2 1 287.407 2.145 20 0 CEADMP COC1(C[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)CCC1 ZINC000429422057 271330880 /nfs/dbraw/zinc/33/08/80/271330880.db2.gz WSOOTQDIOQTVLB-ZDUSSCGKSA-N 2 1 252.402 2.186 20 0 CEADMP OC[C@H](CC(F)F)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000429472562 271333731 /nfs/dbraw/zinc/33/37/31/271333731.db2.gz PTVYVJBQNNLOBZ-ZDUSSCGKSA-N 2 1 290.398 2.389 20 0 CEADMP COC1(C[C@@H](C)[NH2+]CCn2cc[nH+]c2C)CCC1 ZINC000429528754 271336527 /nfs/dbraw/zinc/33/65/27/271336527.db2.gz PRKSQJOMQKJYPU-GFCCVEGCSA-N 2 1 251.374 2.129 20 0 CEADMP CCC([NH3+])(CC)CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000429666913 271340443 /nfs/dbraw/zinc/34/04/43/271340443.db2.gz UFLYFRITWSMRHK-CQSZACIVSA-N 2 1 291.439 2.141 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000430554772 271390006 /nfs/dbraw/zinc/39/00/06/271390006.db2.gz RIWPLXIGWPBQJT-MRXNPFEDSA-N 2 1 277.412 2.450 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000430951810 271414721 /nfs/dbraw/zinc/41/47/21/271414721.db2.gz WJIBOXCWNFEXIP-GHMZBOCLSA-N 2 1 280.416 2.487 20 0 CEADMP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC000334821525 274882291 /nfs/dbraw/zinc/88/22/91/274882291.db2.gz PQZVAEGJJGEZNL-ZIAGYGMSSA-N 2 1 250.773 2.149 20 0 CEADMP c1cc2[nH+]ccc(N3CC[C@]4(CC[NH2+]C4)C3)c2s1 ZINC000334990178 275065913 /nfs/dbraw/zinc/06/59/13/275065913.db2.gz QPROMTUGKAMMKV-AWEZNQCLSA-N 2 1 259.378 2.486 20 0 CEADMP C(C[NH+]1CCCC1)C[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000362176674 275390712 /nfs/dbraw/zinc/39/07/12/275390712.db2.gz GEVOPQXSRKSEIN-CABCVRRESA-N 2 1 252.402 2.116 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000368349547 276096362 /nfs/dbraw/zinc/09/63/62/276096362.db2.gz SGWWSRYUYSXPIO-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)N2CCC[C@@H]2C)C1 ZINC000362391616 276109513 /nfs/dbraw/zinc/10/95/13/276109513.db2.gz SDPRZSRUJIZFNP-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H]2CCCc3[nH]ncc32)CC1 ZINC000367602789 276148826 /nfs/dbraw/zinc/14/88/26/276148826.db2.gz WJGSCZDQVIYJNI-HNNXBMFYSA-N 2 1 276.428 2.499 20 0 CEADMP CC1CCC([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000335641434 276190983 /nfs/dbraw/zinc/19/09/83/276190983.db2.gz FAMKJXDFBIBOCE-UHFFFAOYSA-N 2 1 279.472 2.371 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000251739843 276197929 /nfs/dbraw/zinc/19/79/29/276197929.db2.gz RGIAQMFRJSYGGZ-GVDBMIGSSA-N 2 1 279.472 2.229 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](C)O2)[C@H](C)C1 ZINC000188555719 276225524 /nfs/dbraw/zinc/22/55/24/276225524.db2.gz HBCXBFQEOJIXLX-QPSCCSFWSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[C@H](C)O2)[C@H](C)C1 ZINC000188555719 276225525 /nfs/dbraw/zinc/22/55/25/276225525.db2.gz HBCXBFQEOJIXLX-QPSCCSFWSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[C@H](C)O2)[C@H](C)C1 ZINC000188555719 276225526 /nfs/dbraw/zinc/22/55/26/276225526.db2.gz HBCXBFQEOJIXLX-QPSCCSFWSA-N 2 1 254.418 2.216 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCCCC3)O2)[C@H](C)C1 ZINC000126179696 276229372 /nfs/dbraw/zinc/22/93/72/276229372.db2.gz GWDGLCPPAAZIAA-OAGGEKHMSA-N 2 1 296.455 2.382 20 0 CEADMP CCN1C[C@H](C)[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000343532954 276251368 /nfs/dbraw/zinc/25/13/68/276251368.db2.gz OYYDWUFKFXQLEL-IXDOHACOSA-N 2 1 281.488 2.428 20 0 CEADMP CCOC1CC(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000351893337 276309179 /nfs/dbraw/zinc/30/91/79/276309179.db2.gz UWLDFTJSNAZTNS-LMPOIIKSSA-N 2 1 268.445 2.464 20 0 CEADMP CCOC1CC(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000351893337 276309180 /nfs/dbraw/zinc/30/91/80/276309180.db2.gz UWLDFTJSNAZTNS-LMPOIIKSSA-N 2 1 268.445 2.464 20 0 CEADMP CCOC1CC(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000351893337 276309183 /nfs/dbraw/zinc/30/91/83/276309183.db2.gz UWLDFTJSNAZTNS-LMPOIIKSSA-N 2 1 268.445 2.464 20 0 CEADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCC[C@@H]1C ZINC000338347502 276342212 /nfs/dbraw/zinc/34/22/12/276342212.db2.gz ATKMOSNQWOTADO-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCC[C@@H]1C ZINC000338347502 276342214 /nfs/dbraw/zinc/34/22/14/276342214.db2.gz ATKMOSNQWOTADO-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000121715763 276358687 /nfs/dbraw/zinc/35/86/87/276358687.db2.gz GSIUYEFMQOGGEU-YQQAZPJKSA-N 3 1 281.488 2.427 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)CC1 ZINC000121715763 276358690 /nfs/dbraw/zinc/35/86/90/276358690.db2.gz GSIUYEFMQOGGEU-YQQAZPJKSA-N 2 1 281.488 2.427 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000271908232 277023350 /nfs/dbraw/zinc/02/33/50/277023350.db2.gz XGSIDOSDOIYVNV-QGZVFWFLSA-N 2 1 256.393 2.395 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3cccnc3CC2)CC1 ZINC000335257405 277023610 /nfs/dbraw/zinc/02/36/10/277023610.db2.gz HUZBKODQRLDQPS-MRXNPFEDSA-N 2 1 271.408 2.181 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](C[C@@H]3CCC=CO3)C2)CC1 ZINC000377885876 277034680 /nfs/dbraw/zinc/03/46/80/277034680.db2.gz VUJVOFXJHVBTNJ-HOTGVXAUSA-N 2 1 264.413 2.343 20 0 CEADMP COC(=O)C1CCC([NH2+][C@H](C[NH3+])C2CCCCC2)CC1 ZINC000414853503 277052202 /nfs/dbraw/zinc/05/22/02/277052202.db2.gz SQUGZVPORWLYJV-YMAMQOFZSA-N 2 1 282.428 2.215 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)C3CCCCC3)CC[C@H]21 ZINC000248397231 277068901 /nfs/dbraw/zinc/06/89/01/277068901.db2.gz RKSYIIVEDIZRDE-ZACQAIPSSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)CC[C@H]21 ZINC000248397231 277068902 /nfs/dbraw/zinc/06/89/02/277068902.db2.gz RKSYIIVEDIZRDE-ZACQAIPSSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)CC[C@H]21 ZINC000248397231 277068904 /nfs/dbraw/zinc/06/89/04/277068904.db2.gz RKSYIIVEDIZRDE-ZACQAIPSSA-N 2 1 280.456 2.344 20 0 CEADMP CN1CC[N@H+](CCC[NH+]2CCCC2)Cc2ccccc21 ZINC000270669590 277104445 /nfs/dbraw/zinc/10/44/45/277104445.db2.gz XCKKIRVMGUNAHG-UHFFFAOYSA-N 2 1 273.424 2.424 20 0 CEADMP CN1CC[N@@H+](CCC[NH+]2CCCC2)Cc2ccccc21 ZINC000270669590 277104447 /nfs/dbraw/zinc/10/44/47/277104447.db2.gz XCKKIRVMGUNAHG-UHFFFAOYSA-N 2 1 273.424 2.424 20 0 CEADMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cncnc2)[C@H]1c1ccccc1 ZINC000371722105 277134955 /nfs/dbraw/zinc/13/49/55/277134955.db2.gz CQIVZXOGRGXRIX-DLBZAZTESA-N 2 1 282.391 2.259 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cncnc2)[C@H]1c1ccccc1 ZINC000371722105 277134956 /nfs/dbraw/zinc/13/49/56/277134956.db2.gz CQIVZXOGRGXRIX-DLBZAZTESA-N 2 1 282.391 2.259 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC([NH+]3CCCCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353611802 277169744 /nfs/dbraw/zinc/16/97/44/277169744.db2.gz ZZGCNPXRVLCWPE-CNFALQKSSA-N 2 1 291.483 2.466 20 0 CEADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000178079787 277343040 /nfs/dbraw/zinc/34/30/40/277343040.db2.gz KBWFEHBXYQXDEI-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000178079787 277343041 /nfs/dbraw/zinc/34/30/41/277343041.db2.gz KBWFEHBXYQXDEI-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351530611 277361553 /nfs/dbraw/zinc/36/15/53/277361553.db2.gz BNWZSYPGZZFWEU-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351530611 277361555 /nfs/dbraw/zinc/36/15/55/277361555.db2.gz BNWZSYPGZZFWEU-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)CC[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351530611 277361556 /nfs/dbraw/zinc/36/15/56/277361556.db2.gz BNWZSYPGZZFWEU-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)CC[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351530611 277361557 /nfs/dbraw/zinc/36/15/57/277361557.db2.gz BNWZSYPGZZFWEU-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000154274289 277363680 /nfs/dbraw/zinc/36/36/80/277363680.db2.gz BSVGUSPXXAUPHW-KKUMJFAQSA-N 2 1 256.434 2.103 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415035627 277365192 /nfs/dbraw/zinc/36/51/92/277365192.db2.gz DWRPAGYFTBPPOP-DZGCQCFKSA-N 2 1 290.407 2.365 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415035627 277365193 /nfs/dbraw/zinc/36/51/93/277365193.db2.gz DWRPAGYFTBPPOP-DZGCQCFKSA-N 2 1 290.407 2.365 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000335256754 278028922 /nfs/dbraw/zinc/02/89/22/278028922.db2.gz LQTULBFYZJMBBW-KBPBESRZSA-N 2 1 274.408 2.441 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CCCCC2)CC[N@@H+]1C ZINC000417369905 278029177 /nfs/dbraw/zinc/02/91/77/278029177.db2.gz RYOCRUDIMFZFQF-BMFZPTHFSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CCCCC2)CC[N@H+]1C ZINC000417369905 278029179 /nfs/dbraw/zinc/02/91/79/278029179.db2.gz RYOCRUDIMFZFQF-BMFZPTHFSA-N 2 1 268.445 2.390 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)C2 ZINC000414928573 278035266 /nfs/dbraw/zinc/03/52/66/278035266.db2.gz MVQODXLTIJYHRP-DUVNUKRYSA-N 2 1 274.408 2.140 20 0 CEADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cn[nH]c1 ZINC000302279525 278253006 /nfs/dbraw/zinc/25/30/06/278253006.db2.gz FACMUCCCVFTKHO-JTQLQIEISA-N 2 1 250.390 2.370 20 0 CEADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274963033 278260970 /nfs/dbraw/zinc/26/09/70/278260970.db2.gz XACLFBMAEZFUNJ-STQMWFEESA-N 2 1 296.846 2.022 20 0 CEADMP CC(C)(C)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250684195 278341976 /nfs/dbraw/zinc/34/19/76/278341976.db2.gz FWYRYZGYMQFIJC-CVEARBPZSA-N 2 1 279.472 2.466 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CCCCO2)C1 ZINC000347467308 279036811 /nfs/dbraw/zinc/03/68/11/279036811.db2.gz QQVQYBKIBWBHPL-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000347467308 279036812 /nfs/dbraw/zinc/03/68/12/279036812.db2.gz QQVQYBKIBWBHPL-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000347467308 279036813 /nfs/dbraw/zinc/03/68/13/279036813.db2.gz QQVQYBKIBWBHPL-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC)CCCN1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000338291272 279096480 /nfs/dbraw/zinc/09/64/80/279096480.db2.gz YKSXCPAJSCCQTP-CABCVRRESA-N 2 1 255.450 2.133 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000094371392 279120134 /nfs/dbraw/zinc/12/01/34/279120134.db2.gz SZWQDRIMULUVGC-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@@H](C)C2)C1 ZINC000352618064 279124886 /nfs/dbraw/zinc/12/48/86/279124886.db2.gz LOIMDJDNBYROCI-XHSDSOJGSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000248549592 279306189 /nfs/dbraw/zinc/30/61/89/279306189.db2.gz HKXRTTIKYXPNNO-BZUAXINKSA-N 2 1 279.472 2.466 20 0 CEADMP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000334262249 279335955 /nfs/dbraw/zinc/33/59/55/279335955.db2.gz VBZOXAAOFOEUHF-QGZVFWFLSA-N 2 1 290.455 2.293 20 0 CEADMP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000334262249 279335958 /nfs/dbraw/zinc/33/59/58/279335958.db2.gz VBZOXAAOFOEUHF-QGZVFWFLSA-N 2 1 290.455 2.293 20 0 CEADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179388 279343018 /nfs/dbraw/zinc/34/30/18/279343018.db2.gz SNEKKDLNYLSQJA-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H](Cn1cccn1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000138091911 280070107 /nfs/dbraw/zinc/07/01/07/280070107.db2.gz CVPXGEDZTGZJND-CVEARBPZSA-N 2 1 278.444 2.373 20 0 CEADMP Cc1[nH+]ccc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1Cl ZINC000355677422 280186001 /nfs/dbraw/zinc/18/60/01/280186001.db2.gz UNFMYXCZVOIPAB-WDEREUQCSA-N 2 1 253.777 2.360 20 0 CEADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000442880682 280187496 /nfs/dbraw/zinc/18/74/96/280187496.db2.gz ZHJJKBPAWWSUEG-CQSZACIVSA-N 2 1 255.450 2.037 20 0 CEADMP C[C@@H](NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)c(F)c1 ZINC000212708609 280207460 /nfs/dbraw/zinc/20/74/60/280207460.db2.gz FVCIRFVYHYFUPR-DGCLKSJQSA-N 2 1 299.821 2.376 20 0 CEADMP C[C@@H](NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)c(F)c1 ZINC000212708609 280207462 /nfs/dbraw/zinc/20/74/62/280207462.db2.gz FVCIRFVYHYFUPR-DGCLKSJQSA-N 2 1 299.821 2.376 20 0 CEADMP CCOC(=O)CCCCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000226467699 280215283 /nfs/dbraw/zinc/21/52/83/280215283.db2.gz JJSULDFGSGQMRV-AWEZNQCLSA-N 2 1 270.417 2.184 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC[N@@H+]1C ZINC000245912688 280265863 /nfs/dbraw/zinc/26/58/63/280265863.db2.gz PNGSZUSZRGFESI-IBEHDNSVSA-N 2 1 278.440 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC[N@H+]1C ZINC000245912688 280265865 /nfs/dbraw/zinc/26/58/65/280265865.db2.gz PNGSZUSZRGFESI-IBEHDNSVSA-N 2 1 278.440 2.406 20 0 CEADMP O=C1NCCCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000334554446 280285975 /nfs/dbraw/zinc/28/59/75/280285975.db2.gz SIPCAYJYJIDHES-MRXNPFEDSA-N 2 1 293.455 2.042 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC[NH+]1CCCC[C@@H]1C ZINC000247160475 280321844 /nfs/dbraw/zinc/32/18/44/280321844.db2.gz UCQMKEYLSBHVPR-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCC[N@@H+]1CCCC[C@@H]1C ZINC000247160475 280321845 /nfs/dbraw/zinc/32/18/45/280321845.db2.gz UCQMKEYLSBHVPR-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCC[N@H+]1CCCC[C@@H]1C ZINC000247160475 280321846 /nfs/dbraw/zinc/32/18/46/280321846.db2.gz UCQMKEYLSBHVPR-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCN1CCCC[C@@H]1C ZINC000247160475 280321847 /nfs/dbraw/zinc/32/18/47/280321847.db2.gz UCQMKEYLSBHVPR-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCN1CCCC[C@@H]1C ZINC000247160475 280321848 /nfs/dbraw/zinc/32/18/48/280321848.db2.gz UCQMKEYLSBHVPR-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1CC[C@@H](NCCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000247946566 280341130 /nfs/dbraw/zinc/34/11/30/280341130.db2.gz HTCXUCGRFVLQFK-DLBZAZTESA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000247946566 280341133 /nfs/dbraw/zinc/34/11/33/280341133.db2.gz HTCXUCGRFVLQFK-DLBZAZTESA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000247946566 280341134 /nfs/dbraw/zinc/34/11/34/280341134.db2.gz HTCXUCGRFVLQFK-DLBZAZTESA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000247982104 280341541 /nfs/dbraw/zinc/34/15/41/280341541.db2.gz IKWUCPLOIXVBOY-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000247982104 280341542 /nfs/dbraw/zinc/34/15/42/280341542.db2.gz IKWUCPLOIXVBOY-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000247982104 280341543 /nfs/dbraw/zinc/34/15/43/280341543.db2.gz IKWUCPLOIXVBOY-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000247982104 280341544 /nfs/dbraw/zinc/34/15/44/280341544.db2.gz IKWUCPLOIXVBOY-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000247982104 280341545 /nfs/dbraw/zinc/34/15/45/280341545.db2.gz IKWUCPLOIXVBOY-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP Cc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000248074126 280342319 /nfs/dbraw/zinc/34/23/19/280342319.db2.gz MTNXTUFCSOLMIU-GXTWGEPZSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000248074126 280342320 /nfs/dbraw/zinc/34/23/20/280342320.db2.gz MTNXTUFCSOLMIU-GXTWGEPZSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000248074126 280342321 /nfs/dbraw/zinc/34/23/21/280342321.db2.gz MTNXTUFCSOLMIU-GXTWGEPZSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000248074126 280342322 /nfs/dbraw/zinc/34/23/22/280342322.db2.gz MTNXTUFCSOLMIU-GXTWGEPZSA-N 2 1 265.426 2.368 20 0 CEADMP CC[C@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249300358 280392184 /nfs/dbraw/zinc/39/21/84/280392184.db2.gz RWXZQQXOYVQFEX-RDJZCZTQSA-N 2 1 276.424 2.354 20 0 CEADMP CC[C@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249300358 280392187 /nfs/dbraw/zinc/39/21/87/280392187.db2.gz RWXZQQXOYVQFEX-RDJZCZTQSA-N 2 1 276.424 2.354 20 0 CEADMP CC[C@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249300358 280392189 /nfs/dbraw/zinc/39/21/89/280392189.db2.gz RWXZQQXOYVQFEX-RDJZCZTQSA-N 2 1 276.424 2.354 20 0 CEADMP CC[C@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249300358 280392190 /nfs/dbraw/zinc/39/21/90/280392190.db2.gz RWXZQQXOYVQFEX-RDJZCZTQSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(O)c1 ZINC000249398528 280395842 /nfs/dbraw/zinc/39/58/42/280395842.db2.gz CAQLIPGBMGZOQC-HOCLYGCPSA-N 2 1 292.423 2.280 20 0 CEADMP OC(C[NH+]1CCCC2(CC2)C1)C[N@@H+]1CCCC2(CC2)C1 ZINC000194779343 280398276 /nfs/dbraw/zinc/39/82/76/280398276.db2.gz RNAKMGDJPDFBMT-UHFFFAOYSA-N 2 1 278.440 2.099 20 0 CEADMP OC(C[NH+]1CCCC2(CC2)C1)C[N@H+]1CCCC2(CC2)C1 ZINC000194779343 280398278 /nfs/dbraw/zinc/39/82/78/280398278.db2.gz RNAKMGDJPDFBMT-UHFFFAOYSA-N 2 1 278.440 2.099 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CCC3(CC[NH2+]3)CC2)CCO1 ZINC000335412133 280554173 /nfs/dbraw/zinc/55/41/73/280554173.db2.gz IKGJIPVYPFXTPH-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422831722 280930493 /nfs/dbraw/zinc/93/04/93/280930493.db2.gz UAMKVIOIUJGFFE-VHSXEESVSA-N 2 1 291.317 2.238 20 0 CEADMP C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422985470 280983759 /nfs/dbraw/zinc/98/37/59/280983759.db2.gz DYJNOXCOETZXLY-QSPRXWTASA-N 2 1 274.408 2.494 20 0 CEADMP COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1c[nH+]ccc1N)C2 ZINC000423030803 281001190 /nfs/dbraw/zinc/00/11/90/281001190.db2.gz WIJRAGXCSPTPOF-YPMHNXCESA-N 2 1 299.374 2.157 20 0 CEADMP C[C@@H](N[C@@H](C)C1C[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423043745 281005965 /nfs/dbraw/zinc/00/59/65/281005965.db2.gz PWAWABJFDYTQMZ-VYDXJSESSA-N 3 1 287.451 2.095 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423043745 281005967 /nfs/dbraw/zinc/00/59/67/281005967.db2.gz PWAWABJFDYTQMZ-VYDXJSESSA-N 3 1 287.451 2.095 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423043745 281005968 /nfs/dbraw/zinc/00/59/68/281005968.db2.gz PWAWABJFDYTQMZ-VYDXJSESSA-N 3 1 287.451 2.095 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000423043706 281006162 /nfs/dbraw/zinc/00/61/62/281006162.db2.gz PTCGSKZNSQLIRP-KFWWJZLASA-N 3 1 267.461 2.356 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)c1nccs1)[C@@H]1CCCC[NH2+]1 ZINC000423039731 281006201 /nfs/dbraw/zinc/00/62/01/281006201.db2.gz RHUBJUGRJJYLEM-TUAOUCFPSA-N 2 1 253.415 2.367 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1CCC([NH3+])CC1 ZINC000423048008 281008794 /nfs/dbraw/zinc/00/87/94/281008794.db2.gz HLLKHMVKJSBXOX-NFOMZHRRSA-N 3 1 253.434 2.110 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000423439586 281043083 /nfs/dbraw/zinc/04/30/83/281043083.db2.gz AFFKTQJYVKQMFW-OCCSQVGLSA-N 2 1 296.411 2.108 20 0 CEADMP CC[C@H]([NH3+])CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423440095 281043452 /nfs/dbraw/zinc/04/34/52/281043452.db2.gz ALMKXNLHJXFWJD-XIRDDKMYSA-N 2 1 275.440 2.224 20 0 CEADMP CCc1nc2c(s1)[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])CCC2 ZINC000423440308 281043666 /nfs/dbraw/zinc/04/36/66/281043666.db2.gz IMRBPROQGNESJL-LPEHRKFASA-N 2 1 253.415 2.408 20 0 CEADMP Brc1cccc2c1CC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423447131 281044981 /nfs/dbraw/zinc/04/49/81/281044981.db2.gz ZLPDGIFRCMTYBQ-UZGDPCLZSA-N 2 1 293.208 2.244 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000423464161 281048174 /nfs/dbraw/zinc/04/81/74/281048174.db2.gz LWIPVCBGEYWMQL-VXGBXAGGSA-N 2 1 266.385 2.400 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423465268 281048675 /nfs/dbraw/zinc/04/86/75/281048675.db2.gz HMNMRXCQZAVFMY-GZIXRCOHSA-N 3 1 293.430 2.234 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423465269 281048770 /nfs/dbraw/zinc/04/87/70/281048770.db2.gz HMNMRXCQZAVFMY-LNCBFAARSA-N 3 1 293.430 2.234 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423733570 281085591 /nfs/dbraw/zinc/08/55/91/281085591.db2.gz UOKPCPSCVYVRCB-QKPAOTATSA-N 2 1 295.471 2.238 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000424274386 281141578 /nfs/dbraw/zinc/14/15/78/281141578.db2.gz YRXLNNHMCZMBJB-GIOUXUJVSA-N 2 1 296.455 2.428 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CC(CC(=O)OC)C1 ZINC000424355502 281152271 /nfs/dbraw/zinc/15/22/71/281152271.db2.gz UCFKFAAEMTXFJE-IYXRBSQSSA-N 2 1 270.417 2.038 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CC(CC(=O)OC)C1 ZINC000424355502 281152276 /nfs/dbraw/zinc/15/22/76/281152276.db2.gz UCFKFAAEMTXFJE-IYXRBSQSSA-N 2 1 270.417 2.038 20 0 CEADMP COCC(C)(C)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424376240 281153239 /nfs/dbraw/zinc/15/32/39/281153239.db2.gz KRXDFZUVEKNFFP-CYBMUJFWSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424379518 281154189 /nfs/dbraw/zinc/15/41/89/281154189.db2.gz VNJSDYPZUPCART-VDHUWJSZSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424379518 281154191 /nfs/dbraw/zinc/15/41/91/281154191.db2.gz VNJSDYPZUPCART-VDHUWJSZSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H](C[NH3+])[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000430926109 281281057 /nfs/dbraw/zinc/28/10/57/281281057.db2.gz FPNGVWPZQFMESB-NSHDSACASA-N 2 1 256.777 2.388 20 0 CEADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000430706444 281274297 /nfs/dbraw/zinc/27/42/97/281274297.db2.gz UYELDNXXZHTIPZ-YHUYYLMFSA-N 2 1 293.455 2.027 20 0 CEADMP C[C@@H](C[NH3+])[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000430926109 281281055 /nfs/dbraw/zinc/28/10/55/281281055.db2.gz FPNGVWPZQFMESB-NSHDSACASA-N 2 1 256.777 2.388 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431787438 281320360 /nfs/dbraw/zinc/32/03/60/281320360.db2.gz HRCXTLFFBUSHFE-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CC[C@H](C)[NH+](C)CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431787438 281320361 /nfs/dbraw/zinc/32/03/61/281320361.db2.gz HRCXTLFFBUSHFE-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CC[C@H](C)[NH+](C)CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431787438 281320363 /nfs/dbraw/zinc/32/03/63/281320363.db2.gz HRCXTLFFBUSHFE-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000432789565 281340892 /nfs/dbraw/zinc/34/08/92/281340892.db2.gz SYWIWHDVITVCGS-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000432859800 281350740 /nfs/dbraw/zinc/35/07/40/281350740.db2.gz PIHADUUDSZKBIJ-SQWLQELKSA-N 2 1 268.445 2.246 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](c2ccccc2)C1)C1CC1 ZINC000433044427 281361967 /nfs/dbraw/zinc/36/19/67/281361967.db2.gz MYBMCRSFOUIQNF-SJLPKXTDSA-N 2 1 288.435 2.321 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](c2ccccc2)C1)C1CC1 ZINC000433044427 281361970 /nfs/dbraw/zinc/36/19/70/281361970.db2.gz MYBMCRSFOUIQNF-SJLPKXTDSA-N 2 1 288.435 2.321 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccccc2)C1)C1CC1 ZINC000433044427 281361973 /nfs/dbraw/zinc/36/19/73/281361973.db2.gz MYBMCRSFOUIQNF-SJLPKXTDSA-N 2 1 288.435 2.321 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)C1)C1CC1 ZINC000433044427 281361975 /nfs/dbraw/zinc/36/19/75/281361975.db2.gz MYBMCRSFOUIQNF-SJLPKXTDSA-N 2 1 288.435 2.321 20 0 CEADMP CC[N@H+](Cc1cccc2c1OCCO2)[C@H]1CCC[NH2+]CC1 ZINC000435382096 281386514 /nfs/dbraw/zinc/38/65/14/281386514.db2.gz XQUCOUJGUDZZFK-HNNXBMFYSA-N 2 1 290.407 2.422 20 0 CEADMP CC[N@@H+](Cc1cccc2c1OCCO2)[C@H]1CCC[NH2+]CC1 ZINC000435382096 281386516 /nfs/dbraw/zinc/38/65/16/281386516.db2.gz XQUCOUJGUDZZFK-HNNXBMFYSA-N 2 1 290.407 2.422 20 0 CEADMP CC(C)Cn1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000435436905 281389650 /nfs/dbraw/zinc/38/96/50/281389650.db2.gz IGKIYLRNYSEVLT-OAHLLOKOSA-N 2 1 264.417 2.113 20 0 CEADMP CC(C)Cn1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000435436905 281389651 /nfs/dbraw/zinc/38/96/51/281389651.db2.gz IGKIYLRNYSEVLT-OAHLLOKOSA-N 2 1 264.417 2.113 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000435869170 281399583 /nfs/dbraw/zinc/39/95/83/281399583.db2.gz INHDCKROIJYJBR-OAHLLOKOSA-N 2 1 278.396 2.450 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000435869170 281399584 /nfs/dbraw/zinc/39/95/84/281399584.db2.gz INHDCKROIJYJBR-OAHLLOKOSA-N 2 1 278.396 2.450 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000347511891 282024028 /nfs/dbraw/zinc/02/40/28/282024028.db2.gz CNASMTOELWPESW-SOUVJXGZSA-N 2 1 297.487 2.390 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCCC1 ZINC000340519150 282045135 /nfs/dbraw/zinc/04/51/35/282045135.db2.gz TUUPEPHTBGFGRU-RBSFLKMASA-N 2 1 278.440 2.408 20 0 CEADMP Cc1cccc(CC[NH+]2CCC([N@H+](C)CCCO)CC2)c1 ZINC000449037058 282078447 /nfs/dbraw/zinc/07/84/47/282078447.db2.gz XESVBVQJFDLWHQ-UHFFFAOYSA-N 2 1 290.451 2.316 20 0 CEADMP Cc1cccc(CC[NH+]2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000449037058 282078449 /nfs/dbraw/zinc/07/84/49/282078449.db2.gz XESVBVQJFDLWHQ-UHFFFAOYSA-N 2 1 290.451 2.316 20 0 CEADMP C[NH+](C)CC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000358354244 289103734 /nfs/dbraw/zinc/10/37/34/289103734.db2.gz PSMOFSUOTHEJOM-GQGLESIBSA-N 3 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1C ZINC000156578163 289198698 /nfs/dbraw/zinc/19/86/98/289198698.db2.gz GLUFWAWWZJRJKK-UKRRQHHQSA-N 2 1 267.461 2.322 20 0 CEADMP CC[N@@H+](CCN[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C)C(C)C ZINC000156598723 289198797 /nfs/dbraw/zinc/19/87/97/289198797.db2.gz VOVDOXZELSXQKP-SOUVJXGZSA-N 2 1 255.450 2.035 20 0 CEADMP CC[NH+](CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)C(C)C ZINC000156598723 289198798 /nfs/dbraw/zinc/19/87/98/289198798.db2.gz VOVDOXZELSXQKP-SOUVJXGZSA-N 2 1 255.450 2.035 20 0 CEADMP CC[NH+](CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C(C)C ZINC000156598723 289198800 /nfs/dbraw/zinc/19/88/00/289198800.db2.gz VOVDOXZELSXQKP-SOUVJXGZSA-N 2 1 255.450 2.035 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000156785963 289203027 /nfs/dbraw/zinc/20/30/27/289203027.db2.gz ZYFBNNZUMCCLGE-LSDHHAIUSA-N 2 1 255.450 2.038 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000156785963 289203028 /nfs/dbraw/zinc/20/30/28/289203028.db2.gz ZYFBNNZUMCCLGE-LSDHHAIUSA-N 2 1 255.450 2.038 20 0 CEADMP C[NH+](CCC[N@H+](C)C[C@@H]1CCCOC1)C[C@@H]1CCCOC1 ZINC000158039842 289227139 /nfs/dbraw/zinc/22/71/39/289227139.db2.gz PMSTZHDCKVVRRH-IRXDYDNUSA-N 2 1 298.471 2.093 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cncc(F)c1 ZINC000158220543 289230151 /nfs/dbraw/zinc/23/01/51/289230151.db2.gz MMLRCDZPIKSLRZ-NWDGAFQWSA-N 2 1 251.349 2.213 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cncc(F)c1 ZINC000158220543 289230157 /nfs/dbraw/zinc/23/01/57/289230157.db2.gz MMLRCDZPIKSLRZ-NWDGAFQWSA-N 2 1 251.349 2.213 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(-n2ccnc2)cc1 ZINC000401788987 289288408 /nfs/dbraw/zinc/28/84/08/289288408.db2.gz VJTSEBWDDVFVKW-AWEZNQCLSA-N 2 1 295.390 2.499 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC1CCCC1 ZINC000371294299 289334041 /nfs/dbraw/zinc/33/40/41/289334041.db2.gz JUQRZKAWYUUGDM-PMPSAXMXSA-N 2 1 266.429 2.360 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000250359285 289364574 /nfs/dbraw/zinc/36/45/74/289364574.db2.gz RQFYOQHVIZHQBR-ARFHVFGLSA-N 2 1 261.413 2.006 20 0 CEADMP CCn1nncc1C[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000459413535 290140536 /nfs/dbraw/zinc/14/05/36/290140536.db2.gz UCWXZWQHZKQOHT-ZBFHGGJFSA-N 2 1 293.459 2.288 20 0 CEADMP CC(C)OC1CC([N@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000459428397 290146020 /nfs/dbraw/zinc/14/60/20/290146020.db2.gz PLUKDTSMYBNIJM-NFOMZHRRSA-N 2 1 254.418 2.359 20 0 CEADMP CCS[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000459467382 290157606 /nfs/dbraw/zinc/15/76/06/290157606.db2.gz RWIXVEBAQBSSRH-QWHCGFSZSA-N 2 1 253.415 2.226 20 0 CEADMP CC(C)(C)CC[C@@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459530773 290171606 /nfs/dbraw/zinc/17/16/06/290171606.db2.gz PZLNZSPEUADYBS-AWEZNQCLSA-N 2 1 268.445 2.390 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cnn(C)c1)CC(C)C ZINC000459576062 290184493 /nfs/dbraw/zinc/18/44/93/290184493.db2.gz DHSZSQJVWMSTNF-UHFFFAOYSA-N 2 1 289.427 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000459576062 290184496 /nfs/dbraw/zinc/18/44/96/290184496.db2.gz DHSZSQJVWMSTNF-UHFFFAOYSA-N 2 1 289.427 2.473 20 0 CEADMP c1cn2c(cccc2C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)n1 ZINC000459717212 290216603 /nfs/dbraw/zinc/21/66/03/290216603.db2.gz MITUOTTXZCTLJI-LSDHHAIUSA-N 2 1 283.375 2.335 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000375863745 290217173 /nfs/dbraw/zinc/21/71/73/290217173.db2.gz XYJCOOSLWJNCPV-MELADBBJSA-N 2 1 282.428 2.181 20 0 CEADMP CO[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000459746287 290225572 /nfs/dbraw/zinc/22/55/72/290225572.db2.gz BTZKCPIUIRNNQU-QSPRXWTASA-N 2 1 296.455 2.033 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000459777137 290236800 /nfs/dbraw/zinc/23/68/00/290236800.db2.gz KCLLCHCRZWDVEG-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP COC[C@H](CC(C)C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459779924 290237272 /nfs/dbraw/zinc/23/72/72/290237272.db2.gz LRIQMUBZRUPIRJ-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP CCOC(=O)c1coc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459794903 290243175 /nfs/dbraw/zinc/24/31/75/290243175.db2.gz UXCVDZDHIWJJAU-CYBMUJFWSA-N 2 1 294.395 2.278 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C/C=C/c2ccncc2)CCCO1 ZINC000487173640 290334572 /nfs/dbraw/zinc/33/45/72/290334572.db2.gz OQMXGRIHBBTXBR-AUYOJAJCSA-N 2 1 289.423 2.185 20 0 CEADMP COCC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCC[C@@H]1C ZINC000487949522 290369212 /nfs/dbraw/zinc/36/92/12/290369212.db2.gz FTHQYVNTIJSKLM-ZFWWWQNUSA-N 2 1 265.401 2.329 20 0 CEADMP COCC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCC[C@@H]1C ZINC000487949522 290369213 /nfs/dbraw/zinc/36/92/13/290369213.db2.gz FTHQYVNTIJSKLM-ZFWWWQNUSA-N 2 1 265.401 2.329 20 0 CEADMP [NH3+]C1(C[NH2+][C@@H]2CSCCc3ccccc32)CCC1 ZINC000335050309 295208874 /nfs/dbraw/zinc/20/88/74/295208874.db2.gz BMODVTSBNRAYFS-CQSZACIVSA-N 2 1 262.422 2.488 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]CCOCC(F)(F)F)c2ccccc21 ZINC000132115899 295325641 /nfs/dbraw/zinc/32/56/41/295325641.db2.gz BPWIUTOJOBVLPJ-NEPJUHHUSA-N 2 1 274.286 2.300 20 0 CEADMP Cc1cc(N2CCC([NH2+]CC3(F)CC3)CC2)nc(C)[nH+]1 ZINC000525991182 297693775 /nfs/dbraw/zinc/69/37/75/297693775.db2.gz GKTMWLWXQBAYBV-UHFFFAOYSA-N 2 1 278.375 2.154 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncccc3Cl)C[C@@H]21 ZINC000530216452 298052632 /nfs/dbraw/zinc/05/26/32/298052632.db2.gz BOCNTPNWNIACHZ-GMXVVIOVSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncccc3Cl)C[C@@H]21 ZINC000530216452 298052635 /nfs/dbraw/zinc/05/26/35/298052635.db2.gz BOCNTPNWNIACHZ-GMXVVIOVSA-N 2 1 265.788 2.294 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000530218470 298053947 /nfs/dbraw/zinc/05/39/47/298053947.db2.gz MQFXQKKYVRRIPX-ORQFMDKSSA-N 2 1 292.398 2.052 20 0 CEADMP OCc1ccc(F)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000530223784 298057083 /nfs/dbraw/zinc/05/70/83/298057083.db2.gz PSXQCLNTYBBQHO-GJZGRUSLSA-N 2 1 292.398 2.140 20 0 CEADMP CC[C@@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000532228673 298136779 /nfs/dbraw/zinc/13/67/79/298136779.db2.gz JRFGCNIQEGVDOK-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP COC(=O)CC1([NH2+]CCn2cc[nH+]c2C)CCCCC1 ZINC000535035084 298180786 /nfs/dbraw/zinc/18/07/86/298180786.db2.gz QJTXGDSLTSGHIO-UHFFFAOYSA-N 2 1 279.384 2.047 20 0 CEADMP Cc1ccoc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000539863076 298258547 /nfs/dbraw/zinc/25/85/47/298258547.db2.gz GVLSTJYUCFXYSK-MRXNPFEDSA-N 2 1 291.439 2.188 20 0 CEADMP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cscn1 ZINC000541778717 298285330 /nfs/dbraw/zinc/28/53/30/298285330.db2.gz VUFGVRGJXZHSPA-GFCCVEGCSA-N 2 1 271.430 2.152 20 0 CEADMP CN(CCC[NH+]1CCCC1)Cc1ccc2nc[nH]c2c1 ZINC000545992039 298342808 /nfs/dbraw/zinc/34/28/08/298342808.db2.gz RGNQTVWUSIZIMF-UHFFFAOYSA-N 2 1 272.396 2.481 20 0 CEADMP FCCC[N@H+]1CCC2(C1)CC[NH+](CCCF)CC2 ZINC000364080686 303127940 /nfs/dbraw/zinc/12/79/40/303127940.db2.gz IDBMZRDGCUDABD-UHFFFAOYSA-N 2 1 260.372 2.494 20 0 CEADMP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000294698950 303482679 /nfs/dbraw/zinc/48/26/79/303482679.db2.gz ATANOCICHFUKOJ-ZFWWWQNUSA-N 2 1 287.407 2.030 20 0 CEADMP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)ccn1 ZINC000527540946 313183853 /nfs/dbraw/zinc/18/38/53/313183853.db2.gz ZIMBRYLOFHFBCW-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)ccn1 ZINC000527540946 313183857 /nfs/dbraw/zinc/18/38/57/313183857.db2.gz ZIMBRYLOFHFBCW-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccn1 ZINC000527540946 313183859 /nfs/dbraw/zinc/18/38/59/313183859.db2.gz ZIMBRYLOFHFBCW-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccn1 ZINC000527540946 313183863 /nfs/dbraw/zinc/18/38/63/313183863.db2.gz ZIMBRYLOFHFBCW-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cn1cc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2n1 ZINC000527765479 313200275 /nfs/dbraw/zinc/20/02/75/313200275.db2.gz XCAQKGUCXPGFOG-HZPDHXFCSA-N 2 1 284.407 2.290 20 0 CEADMP CC(C)[NH+]1CCC(NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000528010131 313224656 /nfs/dbraw/zinc/22/46/56/313224656.db2.gz IQDBPHLTJGOUCV-QGZVFWFLSA-N 2 1 279.472 2.466 20 0 CEADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000528009733 313224917 /nfs/dbraw/zinc/22/49/17/313224917.db2.gz WWFNWVVYDSSLBD-QCODTGAPSA-N 2 1 266.429 2.405 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(F)(F)CC2)cc1 ZINC000530231513 313286426 /nfs/dbraw/zinc/28/64/26/313286426.db2.gz ILEZBTAMCPQGSO-ZDUSSCGKSA-N 2 1 284.350 2.469 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2cccc(-n3cccn3)c2)CC1 ZINC000532113499 313340740 /nfs/dbraw/zinc/34/07/40/313340740.db2.gz XIFWFQTZSFRGIB-UHFFFAOYSA-N 2 1 270.380 2.056 20 0 CEADMP OC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000567041452 313881582 /nfs/dbraw/zinc/88/15/82/313881582.db2.gz AHEHNPMWDHREBO-CYBMUJFWSA-N 2 1 288.313 2.080 20 0 CEADMP COc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1)O[C@@H](C)C2 ZINC000571981504 314114524 /nfs/dbraw/zinc/11/45/24/314114524.db2.gz NXXCIZOULPBAPE-TYNCELHUSA-N 2 1 290.407 2.249 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)C1CCCC1)C1CC1 ZINC000572029473 314117543 /nfs/dbraw/zinc/11/75/43/314117543.db2.gz VGLODRVGKCSFED-HNNXBMFYSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)C1CCCC1)C1CC1 ZINC000572029473 314117545 /nfs/dbraw/zinc/11/75/45/314117545.db2.gz VGLODRVGKCSFED-HNNXBMFYSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000574151974 314190850 /nfs/dbraw/zinc/19/08/50/314190850.db2.gz YWKGWSYQFWKPAB-QWHCGFSZSA-N 2 1 296.377 2.401 20 0 CEADMP COCc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)no1 ZINC000576086891 314239878 /nfs/dbraw/zinc/23/98/78/314239878.db2.gz SVUGTPRVDOOCFT-UHFFFAOYSA-N 2 1 295.427 2.373 20 0 CEADMP COCc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)no1 ZINC000576086891 314239875 /nfs/dbraw/zinc/23/98/75/314239875.db2.gz SVUGTPRVDOOCFT-UHFFFAOYSA-N 2 1 295.427 2.373 20 0 CEADMP C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1c[nH+]ccc1N ZINC000576695238 314301900 /nfs/dbraw/zinc/30/19/00/314301900.db2.gz LKBDQRREERJLJG-GFCCVEGCSA-N 2 1 275.396 2.088 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(OC2CCCCC2)nc1)C1C[NH2+]C1 ZINC000576861276 314317806 /nfs/dbraw/zinc/31/78/06/314317806.db2.gz RCVQHCWQHZPAMP-ZDUSSCGKSA-N 2 1 289.423 2.491 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C[C@H](C)O1 ZINC000576934877 314324609 /nfs/dbraw/zinc/32/46/09/314324609.db2.gz PMLJAOCQNYUAFR-ZSHCYNCHSA-N 2 1 296.455 2.177 20 0 CEADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000577470796 314380394 /nfs/dbraw/zinc/38/03/94/314380394.db2.gz NTJZEFLOBHMJAX-CHWSQXEVSA-N 2 1 272.396 2.226 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000580506699 322321580 /nfs/dbraw/zinc/32/15/80/322321580.db2.gz VBKPKUXNTNZBEI-WFASDCNBSA-N 2 1 272.396 2.003 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CS1 ZINC000580510719 322322008 /nfs/dbraw/zinc/32/20/08/322322008.db2.gz RCRUFKLUNDPPKQ-MJBXVCDLSA-N 2 1 256.459 2.448 20 0 CEADMP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000581201319 322377833 /nfs/dbraw/zinc/37/78/33/322377833.db2.gz YFGCVZYPSSKMEG-UPJWGTAASA-N 2 1 277.416 2.096 20 0 CEADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000582073180 322445581 /nfs/dbraw/zinc/44/55/81/322445581.db2.gz VYHVATCPJXAOOG-QWHCGFSZSA-N 2 1 262.401 2.168 20 0 CEADMP CC[N@H+](CCc1nccs1)CC[C@@H]1CCC[NH+]1C ZINC000163416753 521181388 /nfs/dbraw/zinc/18/13/88/521181388.db2.gz OVJFDQKXGJHEFR-ZDUSSCGKSA-N 2 1 267.442 2.492 20 0 CEADMP CC[NH+](CCc1nccs1)CC[C@@H]1CCC[N@@H+]1C ZINC000163416753 521181398 /nfs/dbraw/zinc/18/13/98/521181398.db2.gz OVJFDQKXGJHEFR-ZDUSSCGKSA-N 2 1 267.442 2.492 20 0 CEADMP CC[NH+](CCc1nccs1)CC[C@@H]1CCC[N@H+]1C ZINC000163416753 521181412 /nfs/dbraw/zinc/18/14/12/521181412.db2.gz OVJFDQKXGJHEFR-ZDUSSCGKSA-N 2 1 267.442 2.492 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1C[C@H]1C ZINC000414110181 533835694 /nfs/dbraw/zinc/83/56/94/533835694.db2.gz HXIPHGLISQIRRP-ILXRZTDVSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH+]1CCC(C)CC1 ZINC000067573843 519815272 /nfs/dbraw/zinc/81/52/72/519815272.db2.gz CXMHTYGTLGFTOO-INIZCTEOSA-N 2 1 297.487 2.199 20 0 CEADMP CCN(CC)C(=O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367759204 520465153 /nfs/dbraw/zinc/46/51/53/520465153.db2.gz XJPHXVWGOZHQLT-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](CCc1nccs1)CC[C@@H]1CCC[NH+]1C ZINC000163416753 521181382 /nfs/dbraw/zinc/18/13/82/521181382.db2.gz OVJFDQKXGJHEFR-ZDUSSCGKSA-N 2 1 267.442 2.492 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1NCC[NH+](C(C)C)C(C)C ZINC000359366277 521421852 /nfs/dbraw/zinc/42/18/52/521421852.db2.gz UOYTZTGQWNIQLP-UHFFFAOYSA-N 2 1 293.411 2.211 20 0 CEADMP CC[NH+]1CCC(N(CC[C@H]2CCC[N@H+]2C)C2CC2)CC1 ZINC000363458867 521569162 /nfs/dbraw/zinc/56/91/62/521569162.db2.gz CNGUPTTXGVSUMN-OAHLLOKOSA-N 2 1 279.472 2.419 20 0 CEADMP CCC[N@@H+](CC)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000274672356 521605555 /nfs/dbraw/zinc/60/55/55/521605555.db2.gz SWDZUKKQWXVDBU-MRXNPFEDSA-N 2 1 291.439 2.137 20 0 CEADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163824511 523809493 /nfs/dbraw/zinc/80/94/93/523809493.db2.gz REOKVSRRUOMHND-UKRRQHHQSA-N 2 1 262.397 2.420 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@H](c3ccccc3)C2)n1 ZINC000050599387 527262631 /nfs/dbraw/zinc/26/26/31/527262631.db2.gz LYDHEIYJOBAZMT-ZDUSSCGKSA-N 2 1 286.379 2.253 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@H](c3ccccc3)C2)n1 ZINC000050599387 527262636 /nfs/dbraw/zinc/26/26/36/527262636.db2.gz LYDHEIYJOBAZMT-ZDUSSCGKSA-N 2 1 286.379 2.253 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000367515919 527392511 /nfs/dbraw/zinc/39/25/11/527392511.db2.gz YTDOHKDMQJAPKE-UHFFFAOYSA-N 2 1 299.422 2.495 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000367515919 527392518 /nfs/dbraw/zinc/39/25/18/527392518.db2.gz YTDOHKDMQJAPKE-UHFFFAOYSA-N 2 1 299.422 2.495 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000161946235 527412813 /nfs/dbraw/zinc/41/28/13/527412813.db2.gz HFSWWHJBLMZURN-NWDGAFQWSA-N 2 1 253.415 2.407 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000161946235 527412818 /nfs/dbraw/zinc/41/28/18/527412818.db2.gz HFSWWHJBLMZURN-NWDGAFQWSA-N 2 1 253.415 2.407 20 0 CEADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[C@H]1CCOC1 ZINC000400690722 527486091 /nfs/dbraw/zinc/48/60/91/527486091.db2.gz MCUFAWFYDZVVHW-RRFJBIMHSA-N 2 1 252.402 2.020 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOC(C)(C)C)C1 ZINC000174949579 527848629 /nfs/dbraw/zinc/84/86/29/527848629.db2.gz MFRNBVQMPNUJBF-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOC(C)(C)C)C1 ZINC000174949579 527848634 /nfs/dbraw/zinc/84/86/34/527848634.db2.gz MFRNBVQMPNUJBF-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000174949579 527848637 /nfs/dbraw/zinc/84/86/37/527848637.db2.gz MFRNBVQMPNUJBF-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000357514188 528226990 /nfs/dbraw/zinc/22/69/90/528226990.db2.gz HARITNIJWAREMD-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357377737 528369342 /nfs/dbraw/zinc/36/93/42/528369342.db2.gz PHKWSHPRNKSMRG-CQSZACIVSA-N 2 1 292.427 2.127 20 0 CEADMP C[C@H]([NH2+]CCC1OCCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754466957 574584809 /nfs/dbraw/zinc/58/48/09/574584809.db2.gz YZGJCAOZXBPHNP-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP O=C1CCCN1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000733291620 574661979 /nfs/dbraw/zinc/66/19/79/574661979.db2.gz JUZYTINVCGMQNR-UHFFFAOYSA-N 2 1 293.455 2.154 20 0 CEADMP C[N@@H+](Cc1cn(-c2ccccc2)nn1)CC1CC[NH+](C)CC1 ZINC000738311220 574857481 /nfs/dbraw/zinc/85/74/81/574857481.db2.gz CPXSWYMMXXUAAG-UHFFFAOYSA-N 2 1 299.422 2.041 20 0 CEADMP C[N@H+](Cc1cn(-c2ccccc2)nn1)CC1CC[NH+](C)CC1 ZINC000738311220 574857484 /nfs/dbraw/zinc/85/74/84/574857484.db2.gz CPXSWYMMXXUAAG-UHFFFAOYSA-N 2 1 299.422 2.041 20 0 CEADMP C[C@H]1C[C@@H](N(C)C(=O)CCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000741709317 574994898 /nfs/dbraw/zinc/99/48/98/574994898.db2.gz VSEWBGJLNITZKX-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@H+](CCc1cccs1)C[C@H](O)C[NH+]1CCCC1 ZINC000746657081 575161736 /nfs/dbraw/zinc/16/17/36/575161736.db2.gz DKFXMHDLBWEOSF-AWEZNQCLSA-N 2 1 282.453 2.069 20 0 CEADMP CC[N@@H+](CCc1cccs1)C[C@H](O)C[NH+]1CCCC1 ZINC000746657081 575161738 /nfs/dbraw/zinc/16/17/38/575161738.db2.gz DKFXMHDLBWEOSF-AWEZNQCLSA-N 2 1 282.453 2.069 20 0 CEADMP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000751776981 575297664 /nfs/dbraw/zinc/29/76/64/575297664.db2.gz OUVZVOQHZQHTPA-BPQIPLTHSA-N 2 1 288.435 2.321 20 0 CEADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000751776981 575297665 /nfs/dbraw/zinc/29/76/65/575297665.db2.gz OUVZVOQHZQHTPA-BPQIPLTHSA-N 2 1 288.435 2.321 20 0 CEADMP C[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000796280503 629830672 /nfs/dbraw/zinc/83/06/72/629830672.db2.gz NNULLXAEJQVJKQ-SNVBAGLBSA-N 2 1 253.415 2.340 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc[nH]c(=O)c2)cc1 ZINC000878314788 651063665 /nfs/dbraw/zinc/06/36/65/651063665.db2.gz VTDYXDXJEOCGAJ-UHFFFAOYSA-N 2 1 285.391 2.481 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000960917791 614264745 /nfs/dbraw/zinc/26/47/45/614264745.db2.gz RRDAYQAULRHJOB-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[NH+](C(C)C)CC1 ZINC000981330268 614332522 /nfs/dbraw/zinc/33/25/22/614332522.db2.gz BNIWTFVGOUULNS-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000981330268 614332523 /nfs/dbraw/zinc/33/25/23/614332523.db2.gz BNIWTFVGOUULNS-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000981330268 614332525 /nfs/dbraw/zinc/33/25/25/614332525.db2.gz BNIWTFVGOUULNS-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](CC(C)C)CC1 ZINC000981283626 614659206 /nfs/dbraw/zinc/65/92/06/614659206.db2.gz ZCRUJTLFLKWPMP-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000981283626 614659208 /nfs/dbraw/zinc/65/92/08/614659208.db2.gz ZCRUJTLFLKWPMP-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000981283626 614659211 /nfs/dbraw/zinc/65/92/11/614659211.db2.gz ZCRUJTLFLKWPMP-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941034016 614711265 /nfs/dbraw/zinc/71/12/65/614711265.db2.gz ZQRQBJBIUQCUKT-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941034016 614711270 /nfs/dbraw/zinc/71/12/70/614711270.db2.gz ZQRQBJBIUQCUKT-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941034016 614711274 /nfs/dbraw/zinc/71/12/74/614711274.db2.gz ZQRQBJBIUQCUKT-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842710 614718274 /nfs/dbraw/zinc/71/82/74/614718274.db2.gz NDGDQYPLEISDSU-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842710 614718276 /nfs/dbraw/zinc/71/82/76/614718276.db2.gz NDGDQYPLEISDSU-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947614931 614745748 /nfs/dbraw/zinc/74/57/48/614745748.db2.gz BMQXRMVSNDTAEN-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842709 614753504 /nfs/dbraw/zinc/75/35/04/614753504.db2.gz NDGDQYPLEISDSU-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842709 614753506 /nfs/dbraw/zinc/75/35/06/614753506.db2.gz NDGDQYPLEISDSU-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842709 614753509 /nfs/dbraw/zinc/75/35/09/614753509.db2.gz NDGDQYPLEISDSU-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000960716843 614874379 /nfs/dbraw/zinc/87/43/79/614874379.db2.gz HPXCLTSMCSYZKQ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000960716843 614874380 /nfs/dbraw/zinc/87/43/80/614874380.db2.gz HPXCLTSMCSYZKQ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC000960716843 614874382 /nfs/dbraw/zinc/87/43/82/614874382.db2.gz HPXCLTSMCSYZKQ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000963344670 614882287 /nfs/dbraw/zinc/88/22/87/614882287.db2.gz SJALWZZXBUBFID-PRLABOORSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000957782846 614995453 /nfs/dbraw/zinc/99/54/53/614995453.db2.gz WHXPLTWAXXFFLM-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)C(C)C ZINC000961032879 615113553 /nfs/dbraw/zinc/11/35/53/615113553.db2.gz UVZCWEWXRUCEJD-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)C(C)C ZINC000961032879 615113554 /nfs/dbraw/zinc/11/35/54/615113554.db2.gz UVZCWEWXRUCEJD-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)C(C)C ZINC000961032879 615113555 /nfs/dbraw/zinc/11/35/55/615113555.db2.gz UVZCWEWXRUCEJD-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]C(C)C)CC[N@H+]1C ZINC000960008950 615584377 /nfs/dbraw/zinc/58/43/77/615584377.db2.gz RQLDQGTYRMCRAQ-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP COc1ccc2[nH+]ccc(NC[C@H]3CCC[N@@H+](C)C3)c2c1 ZINC000892421903 625348987 /nfs/dbraw/zinc/34/89/87/625348987.db2.gz QMCLVPIXZNTHQS-CYBMUJFWSA-N 2 1 285.391 2.419 20 0 CEADMP CCC1(CC)[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)C[C@@H]1OC ZINC000090461472 622915294 /nfs/dbraw/zinc/91/52/94/622915294.db2.gz JODWDQKVRIPNEX-HOTGVXAUSA-N 2 1 298.471 2.281 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC)C1 ZINC001020909885 622921489 /nfs/dbraw/zinc/92/14/89/622921489.db2.gz RWJSBNQBLJAIPL-JYJNAYRXSA-N 2 1 295.471 2.288 20 0 CEADMP Cc1ccccc1[C@@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000160498154 623360577 /nfs/dbraw/zinc/36/05/77/623360577.db2.gz VYEJZFXIXBYLCF-KRWDZBQOSA-N 2 1 276.424 2.491 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000261590570 623386869 /nfs/dbraw/zinc/38/68/69/623386869.db2.gz LJFBBMNENUYMGO-ZYHUDNBSSA-N 2 1 270.323 2.376 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933083381 623482741 /nfs/dbraw/zinc/48/27/41/623482741.db2.gz GNECYHKWBIKXIG-INIZCTEOSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933083381 623482743 /nfs/dbraw/zinc/48/27/43/623482743.db2.gz GNECYHKWBIKXIG-INIZCTEOSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1cn2cc(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2n1 ZINC000290125577 623584406 /nfs/dbraw/zinc/58/44/06/623584406.db2.gz NNRVOEMGCJEGAW-STQMWFEESA-N 2 1 286.379 2.312 20 0 CEADMP Clc1ccc(CC[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000308462428 623711628 /nfs/dbraw/zinc/71/16/28/623711628.db2.gz SIEIGNRWBFFNNG-HZPDHXFCSA-N 2 1 294.826 2.335 20 0 CEADMP Clc1ccc(CC[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000308462428 623711630 /nfs/dbraw/zinc/71/16/30/623711630.db2.gz SIEIGNRWBFFNNG-HZPDHXFCSA-N 2 1 294.826 2.335 20 0 CEADMP COC(=O)C[N@@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000891683753 623896775 /nfs/dbraw/zinc/89/67/75/623896775.db2.gz IPPVQMFFJIAYSO-UHFFFAOYSA-N 2 1 290.407 2.003 20 0 CEADMP COC(=O)C[N@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000891683753 623896781 /nfs/dbraw/zinc/89/67/81/623896781.db2.gz IPPVQMFFJIAYSO-UHFFFAOYSA-N 2 1 290.407 2.003 20 0 CEADMP COc1ccc(CC[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)cc1 ZINC000933743672 623989574 /nfs/dbraw/zinc/98/95/74/623989574.db2.gz DJGONYSPYXRVFV-DOTOQJQBSA-N 2 1 274.408 2.121 20 0 CEADMP COc1ccc(CC[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1 ZINC000933743672 623989575 /nfs/dbraw/zinc/98/95/75/623989575.db2.gz DJGONYSPYXRVFV-DOTOQJQBSA-N 2 1 274.408 2.121 20 0 CEADMP COc1ccc(CC[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1 ZINC000933743672 623989579 /nfs/dbraw/zinc/98/95/79/623989579.db2.gz DJGONYSPYXRVFV-DOTOQJQBSA-N 2 1 274.408 2.121 20 0 CEADMP Cc1cccc(OCC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC000933744147 623989818 /nfs/dbraw/zinc/98/98/18/623989818.db2.gz FWLLCVFUBSTIQH-WBVHZDCISA-N 2 1 274.408 2.257 20 0 CEADMP Cc1cccc(OCC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC000933744147 623989823 /nfs/dbraw/zinc/98/98/23/623989823.db2.gz FWLLCVFUBSTIQH-WBVHZDCISA-N 2 1 274.408 2.257 20 0 CEADMP Cc1cccc(OCC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC000933744147 623989827 /nfs/dbraw/zinc/98/98/27/623989827.db2.gz FWLLCVFUBSTIQH-WBVHZDCISA-N 2 1 274.408 2.257 20 0 CEADMP Cc1cccc(OCC[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC000933744147 623989831 /nfs/dbraw/zinc/98/98/31/623989831.db2.gz FWLLCVFUBSTIQH-WBVHZDCISA-N 2 1 274.408 2.257 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(N3CCC(C[NH+](C)C)CC3)c12 ZINC000891884393 624063105 /nfs/dbraw/zinc/06/31/05/624063105.db2.gz VDHGWEOBDFGBJK-UHFFFAOYSA-N 2 1 287.411 2.298 20 0 CEADMP COC1CCC(C[N@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000892033473 624263832 /nfs/dbraw/zinc/26/38/32/624263832.db2.gz FSOWOGLFFKWPEP-SHARSMKWSA-N 2 1 254.418 2.075 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000892146504 624352684 /nfs/dbraw/zinc/35/26/84/624352684.db2.gz OGIZFBBQLIKIPP-MRXNPFEDSA-N 2 1 266.429 2.077 20 0 CEADMP Cc1cc(NCCC[N@H+](C)Cc2ccccc2)nc(N)[nH+]1 ZINC000043533446 624446455 /nfs/dbraw/zinc/44/64/55/624446455.db2.gz SSFVZKDLSRXWQW-UHFFFAOYSA-N 2 1 285.395 2.301 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000235141377 624773043 /nfs/dbraw/zinc/77/30/43/624773043.db2.gz FYTWPCKNUNLPDG-LBPRGKRZSA-N 2 1 297.443 2.116 20 0 CEADMP CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023364406 624997080 /nfs/dbraw/zinc/99/70/80/624997080.db2.gz KFRLBTDPWIZGJW-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023364406 624997081 /nfs/dbraw/zinc/99/70/81/624997081.db2.gz KFRLBTDPWIZGJW-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001023364406 624997083 /nfs/dbraw/zinc/99/70/83/624997083.db2.gz KFRLBTDPWIZGJW-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CO[C@@]1(C)C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1(C)C ZINC000782183415 625045297 /nfs/dbraw/zinc/04/52/97/625045297.db2.gz KWQKSKHGBSNFPD-ZBFHGGJFSA-N 2 1 268.445 2.464 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nccn1C1CC1 ZINC000892510907 625745802 /nfs/dbraw/zinc/74/58/02/625745802.db2.gz YAQYYKQRORXAOS-LBPRGKRZSA-N 2 1 273.384 2.149 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(-n2cnnc2)c1 ZINC000820805072 634532209 /nfs/dbraw/zinc/53/22/09/634532209.db2.gz DWKXJELEFSNDFG-ZDUSSCGKSA-N 2 1 285.395 2.012 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2CCCO)CC1 ZINC000820805770 634532411 /nfs/dbraw/zinc/53/24/11/634532411.db2.gz RGYHIMJUVPBWIK-DZGCQCFKSA-N 2 1 254.418 2.002 20 0 CEADMP c1cc(C[NH+]2CCCC2)ccc1CN[C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000924582617 627357122 /nfs/dbraw/zinc/35/71/22/627357122.db2.gz LYFQJIDAWNMRKG-OALUTQOASA-N 2 1 299.462 2.466 20 0 CEADMP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H]1CN2C[C@@H]1CCC2 ZINC000924582617 627357126 /nfs/dbraw/zinc/35/71/26/627357126.db2.gz LYFQJIDAWNMRKG-OALUTQOASA-N 2 1 299.462 2.466 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902319142 634568075 /nfs/dbraw/zinc/56/80/75/634568075.db2.gz SEBBIUHHPKMDBH-JKSUJKDBSA-N 3 1 281.488 2.475 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](CN[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902319142 634568077 /nfs/dbraw/zinc/56/80/77/634568077.db2.gz SEBBIUHHPKMDBH-JKSUJKDBSA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902319142 634568080 /nfs/dbraw/zinc/56/80/80/634568080.db2.gz SEBBIUHHPKMDBH-JKSUJKDBSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CC1CC[NH+](C)CC1 ZINC000892668230 627376352 /nfs/dbraw/zinc/37/63/52/627376352.db2.gz DLSUGEXDAXFKHC-CABCVRRESA-N 3 1 267.461 2.038 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CC1CC[NH+](C)CC1 ZINC000892668230 627376356 /nfs/dbraw/zinc/37/63/56/627376356.db2.gz DLSUGEXDAXFKHC-CABCVRRESA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H]1C[C@H](Nc2cc(N)[nH+]cc2Cl)CC[N@H+]1C ZINC000892673901 627389461 /nfs/dbraw/zinc/38/94/61/627389461.db2.gz PPCOKMMILQJDOZ-DTWKUNHWSA-N 2 1 254.765 2.212 20 0 CEADMP C[C@@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000902335413 634596473 /nfs/dbraw/zinc/59/64/73/634596473.db2.gz BAGWHOQTLQFESP-PMPSAXMXSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)N1CCC[C@@H](C)C1 ZINC000902335413 634596475 /nfs/dbraw/zinc/59/64/75/634596475.db2.gz BAGWHOQTLQFESP-PMPSAXMXSA-N 2 1 281.488 2.475 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](OC)C2)C1 ZINC000851790411 627720247 /nfs/dbraw/zinc/72/02/47/627720247.db2.gz KIVYRPWQPCYRGB-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902337237 634598552 /nfs/dbraw/zinc/59/85/52/634598552.db2.gz PYWKPRKKCCGBLG-RBSFLKMASA-N 2 1 267.461 2.227 20 0 CEADMP COC1CCC(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000892951423 627889398 /nfs/dbraw/zinc/88/93/98/627889398.db2.gz NJVHGFLSFXABCN-AQFXKWCLSA-N 2 1 298.471 2.018 20 0 CEADMP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000314240831 627891703 /nfs/dbraw/zinc/89/17/03/627891703.db2.gz RAUQORLQOIXZDH-ANQUJSFKSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCC2SCCS2)C[C@@H]1C[NH3+] ZINC000853023262 627920888 /nfs/dbraw/zinc/92/08/88/627920888.db2.gz QXKUGWPFJOKKOS-WOPDTQHZSA-N 2 1 274.499 2.488 20 0 CEADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000893099209 628003784 /nfs/dbraw/zinc/00/37/84/628003784.db2.gz XWMIPRHBBDIXEM-LFZBEUGWSA-N 2 1 298.496 2.281 20 0 CEADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000893099209 628003789 /nfs/dbraw/zinc/00/37/89/628003789.db2.gz XWMIPRHBBDIXEM-LFZBEUGWSA-N 2 1 298.496 2.281 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000925513969 628049864 /nfs/dbraw/zinc/04/98/64/628049864.db2.gz CJHSFSKVLAYCMU-DOMZBBRYSA-N 2 1 266.360 2.325 20 0 CEADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000925518653 628068092 /nfs/dbraw/zinc/06/80/92/628068092.db2.gz JSRJBMYTDVVDOY-GJZGRUSLSA-N 3 1 267.461 2.358 20 0 CEADMP C[N@@H+](CCCN[C@@H]1CC[NH2+]C1(C)C)Cc1ccccc1 ZINC000925521437 628076311 /nfs/dbraw/zinc/07/63/11/628076311.db2.gz UOVKGSBXIGJKKN-MRXNPFEDSA-N 2 1 275.440 2.239 20 0 CEADMP Cc1ccccc1O[C@H](C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925522125 628079957 /nfs/dbraw/zinc/07/99/57/628079957.db2.gz FPVCYBDQUZDTCW-VXNIPGDTSA-N 2 1 286.419 2.348 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@@H]1CO[NH+]=C(N)[C@H]1C[C@H]1C ZINC000853730329 628085997 /nfs/dbraw/zinc/08/59/97/628085997.db2.gz FBHZGFGSAVGZGE-UPJWGTAASA-N 2 1 253.390 2.404 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CO[NH+]=C(N)[C@H]1C[C@H]1C ZINC000853730329 628086001 /nfs/dbraw/zinc/08/60/01/628086001.db2.gz FBHZGFGSAVGZGE-UPJWGTAASA-N 2 1 253.390 2.404 20 0 CEADMP CC[C@@](O)(C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C(F)(F)F ZINC000930602175 628133966 /nfs/dbraw/zinc/13/39/66/628133966.db2.gz MUYINUSHHMHELO-CHWSQXEVSA-N 2 1 294.361 2.108 20 0 CEADMP CC[C@@](O)(C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C(F)(F)F ZINC000930602175 628133970 /nfs/dbraw/zinc/13/39/70/628133970.db2.gz MUYINUSHHMHELO-CHWSQXEVSA-N 2 1 294.361 2.108 20 0 CEADMP CC[C@@](O)(C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)C(F)(F)F ZINC000930602175 628133974 /nfs/dbraw/zinc/13/39/74/628133974.db2.gz MUYINUSHHMHELO-CHWSQXEVSA-N 2 1 294.361 2.108 20 0 CEADMP CC[C@@](O)(C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)C(F)(F)F ZINC000930602175 628133978 /nfs/dbraw/zinc/13/39/78/628133978.db2.gz MUYINUSHHMHELO-CHWSQXEVSA-N 2 1 294.361 2.108 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCOc1ccccc1F ZINC000925544502 628180557 /nfs/dbraw/zinc/18/05/57/628180557.db2.gz ABEHCROKSYJMPP-TZMCWYRMSA-N 2 1 266.360 2.325 20 0 CEADMP Fc1cc(F)cc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925544894 628183879 /nfs/dbraw/zinc/18/38/79/628183879.db2.gz BEMYGJCUAQDLHZ-AWEZNQCLSA-N 2 1 266.335 2.382 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925552295 628204857 /nfs/dbraw/zinc/20/48/57/628204857.db2.gz IJBNHVGQIBBMEO-CJNLHWCBSA-N 3 1 291.483 2.227 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCCCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925552295 628204860 /nfs/dbraw/zinc/20/48/60/628204860.db2.gz IJBNHVGQIBBMEO-CJNLHWCBSA-N 2 1 291.483 2.227 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925552295 628204862 /nfs/dbraw/zinc/20/48/62/628204862.db2.gz IJBNHVGQIBBMEO-CJNLHWCBSA-N 2 1 291.483 2.227 20 0 CEADMP CC1CC[NH+](CCCCN[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925553566 628208111 /nfs/dbraw/zinc/20/81/11/628208111.db2.gz QUQIHZWIISPKTB-HNNXBMFYSA-N 2 1 267.461 2.229 20 0 CEADMP Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)nc1 ZINC000925557581 628223029 /nfs/dbraw/zinc/22/30/29/628223029.db2.gz CFQUUJPYNDDPEE-HZPDHXFCSA-N 2 1 277.387 2.479 20 0 CEADMP COc1cc(C)c([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1OC ZINC000902416450 634642405 /nfs/dbraw/zinc/64/24/05/634642405.db2.gz OJAKNWCZWFEYPL-LLVKDONJSA-N 2 1 264.369 2.154 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000925616974 628303250 /nfs/dbraw/zinc/30/32/50/628303250.db2.gz OWDMRECHTUAKMG-ARFHVFGLSA-N 2 1 267.461 2.085 20 0 CEADMP C[N@@H+](Cc1ccccn1)Cc1cccc2c1CC[NH2+]C2 ZINC000123902579 628476869 /nfs/dbraw/zinc/47/68/69/628476869.db2.gz HIOOOPGNJXZSDX-UHFFFAOYSA-N 2 1 267.376 2.359 20 0 CEADMP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)C2 ZINC000902443185 634660252 /nfs/dbraw/zinc/66/02/52/634660252.db2.gz KOWUZZATRCTNKX-CZUORRHYSA-N 2 1 274.408 2.140 20 0 CEADMP C1=C(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)CCC1 ZINC000931285572 628501582 /nfs/dbraw/zinc/50/15/82/628501582.db2.gz MQVYBDJAOXPIBP-UHFFFAOYSA-N 2 1 264.413 2.283 20 0 CEADMP C1=C(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)CCC1 ZINC000931285572 628501584 /nfs/dbraw/zinc/50/15/84/628501584.db2.gz MQVYBDJAOXPIBP-UHFFFAOYSA-N 2 1 264.413 2.283 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925693542 628514456 /nfs/dbraw/zinc/51/44/56/628514456.db2.gz PMNMXPQTZOYERF-KBUPBQIOSA-N 2 1 254.418 2.155 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000925697166 628532872 /nfs/dbraw/zinc/53/28/72/628532872.db2.gz YYQLQMVBFZFFPZ-UKMLZYKCSA-N 2 1 275.396 2.032 20 0 CEADMP COC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1cccc(OC)c1 ZINC000925712138 628562827 /nfs/dbraw/zinc/56/28/27/628562827.db2.gz PKTNQIIJSKLDTH-XHSDSOJGSA-N 2 1 290.407 2.242 20 0 CEADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925712423 628563322 /nfs/dbraw/zinc/56/33/22/628563322.db2.gz URQQZPQUIHSGEH-REWJHTLYSA-N 2 1 288.382 2.026 20 0 CEADMP COc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])cc(OC)c1OC ZINC000093861130 628725828 /nfs/dbraw/zinc/72/58/28/628725828.db2.gz GTNIYPARKNGYGZ-UHFFFAOYSA-N 2 1 296.411 2.129 20 0 CEADMP C[N@@H+](Cc1ccc(-n2cccn2)cc1)CC(C)(C)C[NH3+] ZINC000093874244 628726530 /nfs/dbraw/zinc/72/65/30/628726530.db2.gz CKYVOOIDNSBLQB-UHFFFAOYSA-N 2 1 272.396 2.289 20 0 CEADMP Cc1[nH+]ccc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1Br ZINC000893547900 628728446 /nfs/dbraw/zinc/72/84/46/628728446.db2.gz BUFMSBUBYXTYAU-PHIMTYICSA-N 2 1 296.212 2.150 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094024452 628745026 /nfs/dbraw/zinc/74/50/26/628745026.db2.gz CEMPOFOODWJUDE-UHFFFAOYSA-N 2 1 278.396 2.005 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000925772192 628776654 /nfs/dbraw/zinc/77/66/54/628776654.db2.gz GPAKUCRFGULWFL-XHSDSOJGSA-N 2 1 296.455 2.082 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)[C@@H]1CCC[NH2+]1 ZINC000925805394 628855715 /nfs/dbraw/zinc/85/57/15/628855715.db2.gz ICRMWHPVVYHEQE-FIQHERPVSA-N 2 1 280.334 2.217 20 0 CEADMP CC[C@@H]([NH2+]C[C@@](C)(O)c1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000925824687 628894106 /nfs/dbraw/zinc/89/41/06/628894106.db2.gz ZZZDOMVJSXXTBX-OWCLPIDISA-N 2 1 280.387 2.153 20 0 CEADMP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC[C@H]2N)CC1 ZINC000925825191 628896506 /nfs/dbraw/zinc/89/65/06/628896506.db2.gz XUYAXVWBAJLXNH-LVDPKSTMSA-N 2 1 265.445 2.253 20 0 CEADMP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925826563 628913269 /nfs/dbraw/zinc/91/32/69/628913269.db2.gz IBWFQZGCFISKBI-BVUBDWEXSA-N 2 1 260.381 2.104 20 0 CEADMP COc1ccc2ccccc2c1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000925833923 628928934 /nfs/dbraw/zinc/92/89/34/628928934.db2.gz LNZRZLSPLMXOQY-CQSZACIVSA-N 2 1 270.376 2.342 20 0 CEADMP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000925833781 628929348 /nfs/dbraw/zinc/92/93/48/628929348.db2.gz XYXRNLHOYSUMIB-PMPSAXMXSA-N 2 1 280.456 2.248 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@H]1CCC[NH2+]1 ZINC000925835151 628932653 /nfs/dbraw/zinc/93/26/53/628932653.db2.gz QUZYHYMUCVRNAS-YFKTTZPYSA-N 2 1 280.334 2.217 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261573640 628939936 /nfs/dbraw/zinc/93/99/36/628939936.db2.gz VYFBKFHVRMWKCU-CAOSSQGBSA-N 2 1 267.461 2.227 20 0 CEADMP FC(F)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261601842 628944651 /nfs/dbraw/zinc/94/46/51/628944651.db2.gz BWELEMVHYPGBQI-OAHLLOKOSA-N 2 1 295.377 2.104 20 0 CEADMP FC(F)c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261601841 628944718 /nfs/dbraw/zinc/94/47/18/628944718.db2.gz BWELEMVHYPGBQI-HNNXBMFYSA-N 2 1 295.377 2.104 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnc(C)s2)C1 ZINC000245577871 628990338 /nfs/dbraw/zinc/99/03/38/628990338.db2.gz GYMMSGSKYNPHNN-ZYHUDNBSSA-N 2 1 253.415 2.444 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnc(C)s2)C1 ZINC000245577871 628990340 /nfs/dbraw/zinc/99/03/40/628990340.db2.gz GYMMSGSKYNPHNN-ZYHUDNBSSA-N 2 1 253.415 2.444 20 0 CEADMP Cc1nn(C(C)C)c(C)c1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000894082248 629113028 /nfs/dbraw/zinc/11/30/28/629113028.db2.gz BQYCFIDOZOEEHG-GASCZTMLSA-N 2 1 276.428 2.074 20 0 CEADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(OC)n1 ZINC000924871689 629139299 /nfs/dbraw/zinc/13/92/99/629139299.db2.gz FZTNMULGSGNEET-CYBMUJFWSA-N 2 1 274.368 2.336 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000924915593 629252113 /nfs/dbraw/zinc/25/21/13/629252113.db2.gz HRRBKSLXBAVRMQ-LMRVLLHPSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000924915593 629252116 /nfs/dbraw/zinc/25/21/16/629252116.db2.gz HRRBKSLXBAVRMQ-LMRVLLHPSA-N 2 1 254.418 2.264 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2)cn1 ZINC000261938752 629347308 /nfs/dbraw/zinc/34/73/08/629347308.db2.gz DMHPSEUVPCEGTE-UHFFFAOYSA-N 2 1 296.418 2.448 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(NC[C@H]3C[C@@H]([NH+](C)C)C3)c12 ZINC000894427218 629454827 /nfs/dbraw/zinc/45/48/27/629454827.db2.gz IDOAUKKEGYPHLV-KLPPZKSPSA-N 2 1 273.384 2.224 20 0 CEADMP FC(F)(F)c1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)[nH]n1 ZINC000262047089 629558069 /nfs/dbraw/zinc/55/80/69/629558069.db2.gz PUITZXBWUHCRLX-UHFFFAOYSA-N 2 1 288.317 2.004 20 0 CEADMP FC(F)(F)c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)[nH]n1 ZINC000262047089 629558075 /nfs/dbraw/zinc/55/80/75/629558075.db2.gz PUITZXBWUHCRLX-UHFFFAOYSA-N 2 1 288.317 2.004 20 0 CEADMP COC(=O)c1sccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000894806597 629652025 /nfs/dbraw/zinc/65/20/25/629652025.db2.gz GODWLNFFMSAFJU-UHFFFAOYSA-N 2 1 296.436 2.499 20 0 CEADMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000894861434 629700626 /nfs/dbraw/zinc/70/06/26/629700626.db2.gz UJYCBHNRYLDXQR-GFCCVEGCSA-N 2 1 252.358 2.110 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COCO2)CC[N@@H+]1Cc1ccccc1 ZINC000894876256 629711588 /nfs/dbraw/zinc/71/15/88/629711588.db2.gz PHJKILCQIOUICN-PVAVHDDUSA-N 2 1 290.407 2.002 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COCO2)CC[N@H+]1Cc1ccccc1 ZINC000894876256 629711596 /nfs/dbraw/zinc/71/15/96/629711596.db2.gz PHJKILCQIOUICN-PVAVHDDUSA-N 2 1 290.407 2.002 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CCCC2CC2)s1 ZINC000796311240 629841108 /nfs/dbraw/zinc/84/11/08/629841108.db2.gz WCEOQAMHQSNGHV-UHFFFAOYSA-N 2 1 253.415 2.485 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@H](CO)C2CCCCC2)s1 ZINC000796315863 629842776 /nfs/dbraw/zinc/84/27/76/629842776.db2.gz NPYODPPBYACQAW-CQSZACIVSA-N 2 1 297.468 2.236 20 0 CEADMP COc1cccc(C)c1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895292514 630080952 /nfs/dbraw/zinc/08/09/52/630080952.db2.gz GANXFCMWIPHRDZ-CYBMUJFWSA-N 2 1 250.386 2.433 20 0 CEADMP C[C@H](CC[NH2+]Cc1ccc2c(c1)sc(=O)n2C)[NH+](C)C ZINC000895294994 630084095 /nfs/dbraw/zinc/08/40/95/630084095.db2.gz XPSSFYNPZSBWAM-LLVKDONJSA-N 2 1 293.436 2.030 20 0 CEADMP C[C@@H](CC[NH2+]CC1=Cc2ccccc2OC1)[NH+](C)C ZINC000895297773 630086804 /nfs/dbraw/zinc/08/68/04/630086804.db2.gz OQYMYXXRYXYJGF-ZDUSSCGKSA-N 2 1 260.381 2.392 20 0 CEADMP COC[C@H](C)C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895379446 630150686 /nfs/dbraw/zinc/15/06/86/630150686.db2.gz VUUNCNKKCOHZES-RBSFLKMASA-N 2 1 256.434 2.321 20 0 CEADMP COC[C@H](C)C[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895379439 630151230 /nfs/dbraw/zinc/15/12/30/630151230.db2.gz VUUNCNKKCOHZES-ILXRZTDVSA-N 2 1 256.434 2.321 20 0 CEADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1CC[C@@H]1CCOC1 ZINC000895379791 630151280 /nfs/dbraw/zinc/15/12/80/630151280.db2.gz VZDSIRLUVXHRGO-BZUAXINKSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000895381528 630152752 /nfs/dbraw/zinc/15/27/52/630152752.db2.gz UFSKHXVZZPOTKR-UKRRQHHQSA-N 2 1 277.412 2.339 20 0 CEADMP CC1(O)CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000895479179 630214092 /nfs/dbraw/zinc/21/40/92/630214092.db2.gz LKYCDVZTFRSZIZ-GTPINHCMSA-N 2 1 280.456 2.392 20 0 CEADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC000895509376 630228323 /nfs/dbraw/zinc/22/83/23/630228323.db2.gz QTLBVGXWECZZKL-HIFRSBDPSA-N 2 1 277.412 2.339 20 0 CEADMP C1C[C@@H]2[C@H](O1)[C@H]1CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000902747064 634807880 /nfs/dbraw/zinc/80/78/80/634807880.db2.gz BWFJRGYWVUCGPM-OGEQHFGCSA-N 2 1 276.424 2.016 20 0 CEADMP C1C[C@@H]2[C@H](O1)[C@H]1CC[C@H]([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000902747064 634807885 /nfs/dbraw/zinc/80/78/85/634807885.db2.gz BWFJRGYWVUCGPM-OGEQHFGCSA-N 2 1 276.424 2.016 20 0 CEADMP COCC[N@H+](C)CCC[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000797595642 630384278 /nfs/dbraw/zinc/38/42/78/630384278.db2.gz VMDFTBOSGZWJCA-UHFFFAOYSA-N 2 1 285.819 2.101 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000797595642 630384300 /nfs/dbraw/zinc/38/43/00/630384300.db2.gz VMDFTBOSGZWJCA-UHFFFAOYSA-N 2 1 285.819 2.101 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](c3nccs3)C2)CC1 ZINC000896003314 630429888 /nfs/dbraw/zinc/42/98/88/630429888.db2.gz QPJGJODNFDKXRW-CYBMUJFWSA-N 2 1 265.426 2.274 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902759667 634813827 /nfs/dbraw/zinc/81/38/27/634813827.db2.gz BUXNYOFYDWANTF-UTQGOSHXSA-N 2 1 278.440 2.121 20 0 CEADMP CCO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCOC)CC2)C1 ZINC000902766788 634817920 /nfs/dbraw/zinc/81/79/20/634817920.db2.gz RPEGXPCQCZOVEO-JKSUJKDBSA-N 2 1 284.444 2.035 20 0 CEADMP C[NH+](C)C1(C[NH2+]CC2CC[NH+](C)CC2)CCCCC1 ZINC000054240062 630695928 /nfs/dbraw/zinc/69/59/28/630695928.db2.gz VVQZZGAQFVGWGG-UHFFFAOYSA-N 3 1 267.461 2.182 20 0 CEADMP CCO[C@@H](C[NH2+]CCc1ccc(Cl)cc1)C[NH+](C)C ZINC000896879984 630699100 /nfs/dbraw/zinc/69/91/00/630699100.db2.gz KNLCXOUGFXCSRT-HNNXBMFYSA-N 2 1 284.831 2.439 20 0 CEADMP C[C@H](C[C@H]1CCOC1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796325488 630775900 /nfs/dbraw/zinc/77/59/00/630775900.db2.gz VIILTVWCQBGXIR-VXGBXAGGSA-N 2 1 283.441 2.109 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000798227672 630841626 /nfs/dbraw/zinc/84/16/26/630841626.db2.gz OGKNZXBCMKJBBE-INIZCTEOSA-N 2 1 276.424 2.274 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CC3(C2)COC(C)(C)C3)CC[N@@H+]1C ZINC000925142094 631000349 /nfs/dbraw/zinc/00/03/49/631000349.db2.gz NGDDJZPAYZFZEK-RNDNHVFHSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CC3(C2)COC(C)(C)C3)CC[N@H+]1C ZINC000925142094 631000378 /nfs/dbraw/zinc/00/03/78/631000378.db2.gz NGDDJZPAYZFZEK-RNDNHVFHSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC=CO2)[C@H]2CCC[C@@H]21 ZINC000796950201 631012285 /nfs/dbraw/zinc/01/22/85/631012285.db2.gz SXPQANCULYVELE-XGUBFFRZSA-N 2 1 250.386 2.142 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1C ZINC000904333834 635577457 /nfs/dbraw/zinc/57/74/57/635577457.db2.gz HMCXYTYHJUFBEF-CQSZACIVSA-N 2 1 290.407 2.342 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)C(C)C)CC2)CC[N@H+]1C ZINC000985439573 631081024 /nfs/dbraw/zinc/08/10/24/631081024.db2.gz BUSGGGMWRGXMCA-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)C(C)C)CC2)CC[NH+]1C ZINC000985439573 631081026 /nfs/dbraw/zinc/08/10/26/631081026.db2.gz BUSGGGMWRGXMCA-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)C(C)C)CC2)CC[NH+]1C ZINC000985439573 631081029 /nfs/dbraw/zinc/08/10/29/631081029.db2.gz BUSGGGMWRGXMCA-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@H](C[C@H](C)CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925187709 631160328 /nfs/dbraw/zinc/16/03/28/631160328.db2.gz NFGPTAJBIPCXJM-BFZKSOEOSA-N 2 1 298.471 2.015 20 0 CEADMP Cc1ccc2c(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000262586229 631162720 /nfs/dbraw/zinc/16/27/20/631162720.db2.gz ZTEDXUUTZZQFQR-GOSISDBHSA-N 2 1 298.386 2.287 20 0 CEADMP Cc1ccc2c(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000262586229 631162722 /nfs/dbraw/zinc/16/27/22/631162722.db2.gz ZTEDXUUTZZQFQR-GOSISDBHSA-N 2 1 298.386 2.287 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000925201644 631171447 /nfs/dbraw/zinc/17/14/47/631171447.db2.gz CQUNDGMXUWRCRZ-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000925201644 631171449 /nfs/dbraw/zinc/17/14/49/631171449.db2.gz CQUNDGMXUWRCRZ-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000897437602 631515169 /nfs/dbraw/zinc/51/51/69/631515169.db2.gz MTSDXKIKTPRZEP-OAHLLOKOSA-N 2 1 266.429 2.266 20 0 CEADMP FC(F)COc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420798 635632735 /nfs/dbraw/zinc/63/27/35/635632735.db2.gz FVTUAKWIJIXQQI-UONOGXRCSA-N 2 1 296.361 2.372 20 0 CEADMP CCCOc1ccc(C[NH2+]CC2([NH3+])CC2)cc1OCC ZINC000904448870 635640834 /nfs/dbraw/zinc/64/08/34/635640834.db2.gz DIWFHNOMYMYKCB-UHFFFAOYSA-N 2 1 278.396 2.455 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C3(O)CCC3)CC2)[C@@H](C)C1 ZINC000897528642 631665613 /nfs/dbraw/zinc/66/56/13/631665613.db2.gz NIYFLJACHILIQI-KBPBESRZSA-N 2 1 266.429 2.002 20 0 CEADMP COC1(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCCCC1 ZINC000897621542 631826054 /nfs/dbraw/zinc/82/60/54/631826054.db2.gz HSPCALAFJYQAQG-LSDHHAIUSA-N 2 1 266.429 2.219 20 0 CEADMP COC1(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCCCC1 ZINC000897621542 631826057 /nfs/dbraw/zinc/82/60/57/631826057.db2.gz HSPCALAFJYQAQG-LSDHHAIUSA-N 2 1 266.429 2.219 20 0 CEADMP COC1CCC(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CC1 ZINC000897620043 631831229 /nfs/dbraw/zinc/83/12/29/631831229.db2.gz FDPWNWBPXQGMAH-BHDPWAOGSA-N 2 1 266.429 2.075 20 0 CEADMP COC1CCC(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000897620043 631831233 /nfs/dbraw/zinc/83/12/33/631831233.db2.gz FDPWNWBPXQGMAH-BHDPWAOGSA-N 2 1 266.429 2.075 20 0 CEADMP COC1CCC(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000897620043 631831237 /nfs/dbraw/zinc/83/12/37/631831237.db2.gz FDPWNWBPXQGMAH-BHDPWAOGSA-N 2 1 266.429 2.075 20 0 CEADMP C[C@H]1Cc2cc(CN3C[C@@H]4C[N@@H+](C)C[C@]4(C)C3)ccc2O1 ZINC000897620745 631833190 /nfs/dbraw/zinc/83/31/90/631833190.db2.gz YHWGUWZGLUCDRV-QANKJYHBSA-N 2 1 286.419 2.394 20 0 CEADMP C[C@H]1Cc2cc(C[N@@H+]3C[C@@H]4C[NH+](C)C[C@]4(C)C3)ccc2O1 ZINC000897620745 631833192 /nfs/dbraw/zinc/83/31/92/631833192.db2.gz YHWGUWZGLUCDRV-QANKJYHBSA-N 2 1 286.419 2.394 20 0 CEADMP C[C@H]1Cc2cc(C[N@H+]3C[C@@H]4C[NH+](C)C[C@]4(C)C3)ccc2O1 ZINC000897620745 631833195 /nfs/dbraw/zinc/83/31/95/631833195.db2.gz YHWGUWZGLUCDRV-QANKJYHBSA-N 2 1 286.419 2.394 20 0 CEADMP C[C@H]1Cc2cc(C[NH+]3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)ccc2O1 ZINC000897620745 631833197 /nfs/dbraw/zinc/83/31/97/631833197.db2.gz YHWGUWZGLUCDRV-QANKJYHBSA-N 2 1 286.419 2.394 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnc([C@H](C)O)s1)C[NH+]1CCCC1 ZINC000809606806 632108705 /nfs/dbraw/zinc/10/87/05/632108705.db2.gz FKAPHDUHOMYYMQ-RYUDHWBXSA-N 2 1 283.441 2.018 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc([C@@H](C)O)s2)C1 ZINC000809611850 632111145 /nfs/dbraw/zinc/11/11/45/632111145.db2.gz RCJVMSZLQJPREE-VXGBXAGGSA-N 2 1 283.441 2.018 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnc([C@@H](C)O)s2)C1 ZINC000809611850 632111147 /nfs/dbraw/zinc/11/11/47/632111147.db2.gz RCJVMSZLQJPREE-VXGBXAGGSA-N 2 1 283.441 2.018 20 0 CEADMP Cc1ncccc1CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000898255898 632121175 /nfs/dbraw/zinc/12/11/75/632121175.db2.gz OMXYZZJOPIUWSA-UHFFFAOYSA-N 2 1 270.380 2.183 20 0 CEADMP CCCC[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000989728735 632232400 /nfs/dbraw/zinc/23/24/00/632232400.db2.gz SYBNJPRAIVGMQJ-IYBDPMFKSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000989728735 632232402 /nfs/dbraw/zinc/23/24/02/632232402.db2.gz SYBNJPRAIVGMQJ-IYBDPMFKSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000989728735 632232403 /nfs/dbraw/zinc/23/24/03/632232403.db2.gz SYBNJPRAIVGMQJ-IYBDPMFKSA-N 2 1 295.471 2.194 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CCCC12CCC2)C[NH+](C)C ZINC000926960006 632386447 /nfs/dbraw/zinc/38/64/47/632386447.db2.gz LOXUNYIEGWBLKT-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)C[NH+](C)C ZINC000926964948 632394413 /nfs/dbraw/zinc/39/44/13/632394413.db2.gz YLNSTRNXVRRFNX-QWRGUYRKSA-N 2 1 266.376 2.223 20 0 CEADMP CCO[C@H](C[NH2+][C@H](C)c1cccs1)CN(C)C ZINC000926966933 632396880 /nfs/dbraw/zinc/39/68/80/632396880.db2.gz YWMXYYAFNSSLJA-VXGBXAGGSA-N 2 1 256.415 2.365 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cccc(OC)n1 ZINC000924707295 632442134 /nfs/dbraw/zinc/44/21/34/632442134.db2.gz UAKQVEJWUABGMC-KGLIPLIRSA-N 2 1 277.412 2.473 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(OC)n1 ZINC000924707295 632442140 /nfs/dbraw/zinc/44/21/40/632442140.db2.gz UAKQVEJWUABGMC-KGLIPLIRSA-N 2 1 277.412 2.473 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924708303 632443181 /nfs/dbraw/zinc/44/31/81/632443181.db2.gz XQLLVUXETQGJOE-HLIUYOAVSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000924712252 632450677 /nfs/dbraw/zinc/45/06/77/632450677.db2.gz GZEMXEWHNUDMKA-HUUCEWRRSA-N 2 1 265.401 2.232 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)cn1 ZINC000924725836 632469292 /nfs/dbraw/zinc/46/92/92/632469292.db2.gz ZMMXEKYSWPRJDJ-LALPHHSUSA-N 2 1 286.379 2.089 20 0 CEADMP C[N@H+]1CCC[C@@]2(CCN(C[C@H](O)c3cccc(F)c3)C2)C1 ZINC000815144456 632970839 /nfs/dbraw/zinc/97/08/39/632970839.db2.gz ZXLKQEOKEKPRKK-DLBZAZTESA-N 2 1 292.398 2.277 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000842695261 633395552 /nfs/dbraw/zinc/39/55/52/633395552.db2.gz ZCRHMFWJJVQNPP-KFWWJZLASA-N 2 1 254.418 2.121 20 0 CEADMP Cn1ncc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1Cl ZINC000816495358 633399404 /nfs/dbraw/zinc/39/94/04/633399404.db2.gz USPZTSKSAKNPNM-UHFFFAOYSA-N 2 1 284.835 2.237 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCC=CO3)C2)C1 ZINC000816641908 633455295 /nfs/dbraw/zinc/45/52/95/633455295.db2.gz JTPNDCRBWXQGQT-HUUCEWRRSA-N 2 1 250.386 2.097 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CCC=CO3)C2)C1 ZINC000816641908 633455297 /nfs/dbraw/zinc/45/52/97/633455297.db2.gz JTPNDCRBWXQGQT-HUUCEWRRSA-N 2 1 250.386 2.097 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3CCC=CO3)C2)C1 ZINC000816641908 633455300 /nfs/dbraw/zinc/45/53/00/633455300.db2.gz JTPNDCRBWXQGQT-HUUCEWRRSA-N 2 1 250.386 2.097 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2cccnc2)c2ccccc21 ZINC000817892221 633754278 /nfs/dbraw/zinc/75/42/78/633754278.db2.gz KZTVKXQMSPPRMD-HZPDHXFCSA-N 2 1 269.348 2.195 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)c1ccsc1 ZINC000817894095 633757035 /nfs/dbraw/zinc/75/70/35/633757035.db2.gz AGJPEGQADIBNFC-AGIUHOORSA-N 2 1 254.399 2.031 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nc2cc(F)ccc2n1C ZINC000817903780 633764232 /nfs/dbraw/zinc/76/42/32/633764232.db2.gz JZUDNDDOIURCGU-AAEUAGOBSA-N 2 1 290.386 2.190 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000817905186 633765061 /nfs/dbraw/zinc/76/50/61/633765061.db2.gz CNVLLJYBTQNSLU-WOPDTQHZSA-N 2 1 289.206 2.496 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000817905152 633765126 /nfs/dbraw/zinc/76/51/26/633765126.db2.gz JOWFSYCWDLWLTL-JHJVBQTASA-N 2 1 289.206 2.496 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)o1 ZINC000817911964 633769794 /nfs/dbraw/zinc/76/97/94/633769794.db2.gz CUMFCQLETYRGTF-SOUVJXGZSA-N 2 1 272.348 2.356 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1c[nH+]ccc1N ZINC000817918420 633777218 /nfs/dbraw/zinc/77/72/18/633777218.db2.gz JJJJGUKDNZOWOK-QWHCGFSZSA-N 2 1 291.395 2.221 20 0 CEADMP CCc1ccc([C@@H](O)C[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)cc1 ZINC000817928923 633783602 /nfs/dbraw/zinc/78/36/02/633783602.db2.gz IIADACAJELMPQL-IKGGRYGDSA-N 2 1 276.424 2.403 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950603 633795875 /nfs/dbraw/zinc/79/58/75/633795875.db2.gz YRFOUPZGOXZVRO-KXBFYZLASA-N 3 1 297.446 2.236 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950603 633795881 /nfs/dbraw/zinc/79/58/81/633795881.db2.gz YRFOUPZGOXZVRO-KXBFYZLASA-N 2 1 297.446 2.236 20 0 CEADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000817953617 633796923 /nfs/dbraw/zinc/79/69/23/633796923.db2.gz PNNFPNZRJSHELC-MWLCHTKSSA-N 2 1 250.308 2.449 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817972267 633815073 /nfs/dbraw/zinc/81/50/73/633815073.db2.gz KQRDAHMHKRJHRQ-RYUDHWBXSA-N 2 1 277.368 2.031 20 0 CEADMP Cc1cc(C)cc([C@@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000818971724 634022927 /nfs/dbraw/zinc/02/29/27/634022927.db2.gz CLZCJNCKPQZNOS-QAPCUYQASA-N 2 1 288.435 2.411 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000819219732 634107824 /nfs/dbraw/zinc/10/78/24/634107824.db2.gz GMYUTRHDMULGFP-GUYCJALGSA-N 2 1 292.398 2.408 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000819219751 634107903 /nfs/dbraw/zinc/10/79/03/634107903.db2.gz GXUJZWUCHCZTFL-YOEHRIQHSA-N 2 1 274.408 2.268 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2c(F)cccc2F)C1 ZINC000819365876 634156546 /nfs/dbraw/zinc/15/65/46/634156546.db2.gz DCWMYYGFUFSULL-SWLSCSKDSA-N 2 1 298.377 2.320 20 0 CEADMP Cc1ccccc1[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000819366083 634156962 /nfs/dbraw/zinc/15/69/62/634156962.db2.gz IHCBIBQOGJMGIN-RDJZCZTQSA-N 2 1 276.424 2.350 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2ccc(F)cc2F)C1 ZINC000819367477 634158321 /nfs/dbraw/zinc/15/83/21/634158321.db2.gz ZWFJXPLUQPTDKH-LRDDRELGSA-N 2 1 298.377 2.320 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902790126 634834611 /nfs/dbraw/zinc/83/46/11/634834611.db2.gz MJMPIAFRHYDITA-GHCOJBOBSA-N 2 1 289.423 2.231 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902992220 634921856 /nfs/dbraw/zinc/92/18/56/634921856.db2.gz HVOKPFXQYSXOQB-OSLXHZNNSA-N 2 1 266.429 2.118 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902992220 634921859 /nfs/dbraw/zinc/92/18/59/634921859.db2.gz HVOKPFXQYSXOQB-OSLXHZNNSA-N 2 1 266.429 2.118 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902992221 634922285 /nfs/dbraw/zinc/92/22/85/634922285.db2.gz HVOKPFXQYSXOQB-YZXKGSGOSA-N 2 1 266.429 2.118 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902992221 634922288 /nfs/dbraw/zinc/92/22/88/634922288.db2.gz HVOKPFXQYSXOQB-YZXKGSGOSA-N 2 1 266.429 2.118 20 0 CEADMP C([NH2+][C@H]1CCOC12CCCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000903067492 634953549 /nfs/dbraw/zinc/95/35/49/634953549.db2.gz SPUINSFEHPJDHD-ZFWWWQNUSA-N 2 1 264.413 2.162 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903091999 634974487 /nfs/dbraw/zinc/97/44/87/634974487.db2.gz FEOATMRXOJRAAH-CJNGLKHVSA-N 2 1 259.397 2.464 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903091999 634974488 /nfs/dbraw/zinc/97/44/88/634974488.db2.gz FEOATMRXOJRAAH-CJNGLKHVSA-N 2 1 259.397 2.464 20 0 CEADMP C[C@H](CO)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903128998 634983996 /nfs/dbraw/zinc/98/39/96/634983996.db2.gz CYHXYTVQFYXXAZ-WYQXTGKHSA-N 2 1 266.429 2.142 20 0 CEADMP CC[C@@H]([NH3+])c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000822802816 634998763 /nfs/dbraw/zinc/99/87/63/634998763.db2.gz CPADVXDSDUPTCP-CYBMUJFWSA-N 2 1 290.367 2.087 20 0 CEADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)(C)O ZINC000903177927 634999721 /nfs/dbraw/zinc/99/97/21/634999721.db2.gz RTAGHTHEGMNBAK-FBAPMCOASA-N 2 1 266.429 2.283 20 0 CEADMP C[C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)O1 ZINC000903183149 635001587 /nfs/dbraw/zinc/00/15/87/635001587.db2.gz KZPGIYKMNSMDIS-GJIXHBHRSA-N 2 1 264.413 2.301 20 0 CEADMP C[NH+]1CCC([NH2+]CCc2ccnn2-c2ccccc2)CC1 ZINC000903169314 635004244 /nfs/dbraw/zinc/00/42/44/635004244.db2.gz GMXVADCEDUDBHY-UHFFFAOYSA-N 2 1 284.407 2.099 20 0 CEADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000903194195 635005879 /nfs/dbraw/zinc/00/58/79/635005879.db2.gz KGRYPYSYIZKEMM-XMTFNYHQSA-N 2 1 288.435 2.489 20 0 CEADMP C1CC1[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CO1 ZINC000903206098 635015372 /nfs/dbraw/zinc/01/53/72/635015372.db2.gz HGYDLWVGAXLIMR-QNBVZIHLSA-N 2 1 276.424 2.301 20 0 CEADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000903354718 635083469 /nfs/dbraw/zinc/08/34/69/635083469.db2.gz XIHYXBXDRQQGJT-MJBXVCDLSA-N 2 1 284.444 2.427 20 0 CEADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)[C@H]1CCOC1 ZINC000903385196 635095567 /nfs/dbraw/zinc/09/55/67/635095567.db2.gz WDWRJVSREAQXIQ-BPUTZDHNSA-N 2 1 277.412 2.089 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CCO)cc2)[C@@H]2CCC[C@H]21 ZINC000903402714 635110795 /nfs/dbraw/zinc/11/07/95/635110795.db2.gz GUNQKSRBHRAJNV-OKZBNKHCSA-N 2 1 288.435 2.184 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000903430187 635113968 /nfs/dbraw/zinc/11/39/68/635113968.db2.gz QGZQZEUQZMLITN-PWSUYJOCSA-N 2 1 253.777 2.022 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000903430187 635113970 /nfs/dbraw/zinc/11/39/70/635113970.db2.gz QGZQZEUQZMLITN-PWSUYJOCSA-N 2 1 253.777 2.022 20 0 CEADMP CCn1cc(C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C(C)C)cn1 ZINC000903460647 635125912 /nfs/dbraw/zinc/12/59/12/635125912.db2.gz GTVSKXWENSUHIX-HIFRSBDPSA-N 2 1 264.417 2.241 20 0 CEADMP CCc1ccc(N2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)cc1 ZINC000903443596 635129748 /nfs/dbraw/zinc/12/97/48/635129748.db2.gz DZVQMVDOBIHRAX-WBVHZDCISA-N 2 1 287.451 2.227 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C[C@@H]21 ZINC000903447348 635133153 /nfs/dbraw/zinc/13/31/53/635133153.db2.gz PGDSTNSBWFMPPZ-UYYXNEDZSA-N 2 1 270.367 2.337 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000903450534 635134861 /nfs/dbraw/zinc/13/48/61/635134861.db2.gz IJYCGCBUENUCBL-YIDVYQOGSA-N 2 1 294.439 2.181 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000903456734 635138985 /nfs/dbraw/zinc/13/89/85/635138985.db2.gz KDMZGDARDRNQDK-LJIGWXMPSA-N 3 1 277.456 2.063 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000903456734 635138988 /nfs/dbraw/zinc/13/89/88/635138988.db2.gz KDMZGDARDRNQDK-LJIGWXMPSA-N 2 1 277.456 2.063 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000903456734 635138993 /nfs/dbraw/zinc/13/89/93/635138993.db2.gz KDMZGDARDRNQDK-LJIGWXMPSA-N 2 1 277.456 2.063 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)C1 ZINC000903456734 635138996 /nfs/dbraw/zinc/13/89/96/635138996.db2.gz KDMZGDARDRNQDK-LJIGWXMPSA-N 2 1 277.456 2.063 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)C1 ZINC000903456734 635138998 /nfs/dbraw/zinc/13/89/98/635138998.db2.gz KDMZGDARDRNQDK-LJIGWXMPSA-N 2 1 277.456 2.063 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000903490774 635156160 /nfs/dbraw/zinc/15/61/60/635156160.db2.gz HQNCISBTRNIZQV-WTTBNOFXSA-N 2 1 256.393 2.115 20 0 CEADMP CC1(C)C[N@H+](Cc2cccc3ncccc23)C[C@@H]1N ZINC000903559852 635163581 /nfs/dbraw/zinc/16/35/81/635163581.db2.gz KCJRAHXEGWBYBU-HNNXBMFYSA-N 2 1 255.365 2.404 20 0 CEADMP CC1(C)C[N@@H+](Cc2cccc3ncccc23)C[C@@H]1N ZINC000903559852 635163585 /nfs/dbraw/zinc/16/35/85/635163585.db2.gz KCJRAHXEGWBYBU-HNNXBMFYSA-N 2 1 255.365 2.404 20 0 CEADMP C[N@@H+](CCOC1CCSCC1)C1CCC([NH3+])CC1 ZINC000903717173 635232746 /nfs/dbraw/zinc/23/27/46/635232746.db2.gz IKJXGROLBRZJEK-UHFFFAOYSA-N 2 1 272.458 2.100 20 0 CEADMP CCC(CC)[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903721969 635235085 /nfs/dbraw/zinc/23/50/85/635235085.db2.gz GOWACYAGNDLTLK-HOTGVXAUSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)C[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C(C)C ZINC000903723130 635236025 /nfs/dbraw/zinc/23/60/25/635236025.db2.gz UOQDUHUYMRAIIL-HUUCEWRRSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@@H+](CCCc1ccccc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723932 635237451 /nfs/dbraw/zinc/23/74/51/635237451.db2.gz JOHWQICQCOBQGU-MSOLQXFVSA-N 2 1 288.435 2.320 20 0 CEADMP C[N@@H+](CC1CCCC1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903726047 635238545 /nfs/dbraw/zinc/23/85/45/635238545.db2.gz JVLTWQQVBBLUPN-HNNXBMFYSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCS1 ZINC000903733429 635239132 /nfs/dbraw/zinc/23/91/32/635239132.db2.gz KAXIROVPPGHBEI-HUUCEWRRSA-N 2 1 298.496 2.219 20 0 CEADMP CCOC[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903729247 635241151 /nfs/dbraw/zinc/24/11/51/635241151.db2.gz LJKNAYLBEIBFQI-CABCVRRESA-N 2 1 254.418 2.125 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000903749039 635247608 /nfs/dbraw/zinc/24/76/08/635247608.db2.gz FICUKPDZKQSCBF-YESZJQIVSA-N 3 1 279.472 2.088 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCOC1CCSCC1 ZINC000903749883 635248132 /nfs/dbraw/zinc/24/81/32/635248132.db2.gz RJKIENMRQDTGLQ-ZDUSSCGKSA-N 2 1 272.458 2.102 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903752412 635248835 /nfs/dbraw/zinc/24/88/35/635248835.db2.gz NTATYIXGHNMJMT-GARJFASQSA-N 2 1 282.350 2.449 20 0 CEADMP CC[C@@H]1CCCCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903734419 635250639 /nfs/dbraw/zinc/25/06/39/635250639.db2.gz QKKUPBFHGWWRRG-PMPSAXMXSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1ncc(C[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000903736136 635251809 /nfs/dbraw/zinc/25/18/09/635251809.db2.gz HBWXVUWSYMMUBW-CYBMUJFWSA-N 2 1 295.452 2.042 20 0 CEADMP Cc1cc(C)nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000903743719 635254364 /nfs/dbraw/zinc/25/43/64/635254364.db2.gz MLLCLXOONYKTCF-UHFFFAOYSA-N 2 1 259.397 2.274 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903742586 635254890 /nfs/dbraw/zinc/25/48/90/635254890.db2.gz XQMZEQFLHWOXLR-ZBFHGGJFSA-N 2 1 276.428 2.255 20 0 CEADMP C[NH2+]CCC[N@H+](C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903761673 635257055 /nfs/dbraw/zinc/25/70/55/635257055.db2.gz ZIIWBGGCDBZPIB-QWRGUYRKSA-N 2 1 268.323 2.028 20 0 CEADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903761673 635257058 /nfs/dbraw/zinc/25/70/58/635257058.db2.gz ZIIWBGGCDBZPIB-QWRGUYRKSA-N 2 1 268.323 2.028 20 0 CEADMP FCC[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903765848 635258747 /nfs/dbraw/zinc/25/87/47/635258747.db2.gz LDCRCOACTSQFMP-GJZGRUSLSA-N 2 1 284.419 2.217 20 0 CEADMP FCCn1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000903768851 635259844 /nfs/dbraw/zinc/25/98/44/635259844.db2.gz SJFHLSZEPRYQNR-MRXNPFEDSA-N 2 1 294.418 2.064 20 0 CEADMP CC(C)(C[NH3+])C1CC[NH+](Cc2nc(CC3CC3)no2)CC1 ZINC000903791081 635261809 /nfs/dbraw/zinc/26/18/09/635261809.db2.gz LMWIMUGBTXCWJW-UHFFFAOYSA-N 2 1 292.427 2.219 20 0 CEADMP Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903758155 635262198 /nfs/dbraw/zinc/26/21/98/635262198.db2.gz IVSINFZLKQJQFR-HOCLYGCPSA-N 2 1 276.428 2.337 20 0 CEADMP Cn1nccc1[C@@H]1CCCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903758155 635262200 /nfs/dbraw/zinc/26/22/00/635262200.db2.gz IVSINFZLKQJQFR-HOCLYGCPSA-N 2 1 276.428 2.337 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903778375 635266189 /nfs/dbraw/zinc/26/61/89/635266189.db2.gz MCCRWEOCZFHBOU-ZBFHGGJFSA-N 3 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903778375 635266190 /nfs/dbraw/zinc/26/61/90/635266190.db2.gz MCCRWEOCZFHBOU-ZBFHGGJFSA-N 3 1 267.461 2.073 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C(C)(C)C ZINC000903781309 635266830 /nfs/dbraw/zinc/26/68/30/635266830.db2.gz PRTYSGKSISCKOS-FMKPAKJESA-N 2 1 268.445 2.369 20 0 CEADMP C[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903781554 635267096 /nfs/dbraw/zinc/26/70/96/635267096.db2.gz UCEKMAQKJYGOCI-AVGNSLFASA-N 2 1 292.345 2.029 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903783156 635268739 /nfs/dbraw/zinc/26/87/39/635268739.db2.gz VFSXWZSCJDHVRQ-NWDGAFQWSA-N 2 1 280.334 2.029 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903783156 635268743 /nfs/dbraw/zinc/26/87/43/635268743.db2.gz VFSXWZSCJDHVRQ-NWDGAFQWSA-N 2 1 280.334 2.029 20 0 CEADMP CC(C)CCOCC[N@@H+]1CCC[C@@H]2CC[C@@]21CN ZINC000903798631 635275653 /nfs/dbraw/zinc/27/56/53/635275653.db2.gz OIOAPOUUOHNQQO-HUUCEWRRSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC[C@@H]2CC[C@@]21CN ZINC000903798631 635275656 /nfs/dbraw/zinc/27/56/56/635275656.db2.gz OIOAPOUUOHNQQO-HUUCEWRRSA-N 2 1 254.418 2.252 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000903801275 635277872 /nfs/dbraw/zinc/27/78/72/635277872.db2.gz LXVCJTRXWABFIQ-UVPYHEFZSA-N 2 1 264.413 2.147 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000903801275 635277873 /nfs/dbraw/zinc/27/78/73/635277873.db2.gz LXVCJTRXWABFIQ-UVPYHEFZSA-N 2 1 264.413 2.147 20 0 CEADMP Cc1cnc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)cn1 ZINC000903810751 635284100 /nfs/dbraw/zinc/28/41/00/635284100.db2.gz GRUDPDDPIPNWFJ-HNNXBMFYSA-N 2 1 274.412 2.269 20 0 CEADMP Cc1cnc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)cn1 ZINC000903810751 635284103 /nfs/dbraw/zinc/28/41/03/635284103.db2.gz GRUDPDDPIPNWFJ-HNNXBMFYSA-N 2 1 274.412 2.269 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC000903823935 635292155 /nfs/dbraw/zinc/29/21/55/635292155.db2.gz LNKJNFROHDZXCL-WMZOPIPTSA-N 2 1 290.451 2.473 20 0 CEADMP Cc1cccc(C)c1C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903825676 635293182 /nfs/dbraw/zinc/29/31/82/635293182.db2.gz CLIYPMOLMBLTAH-HNNXBMFYSA-N 2 1 274.408 2.256 20 0 CEADMP Cc1noc(C[C@H]2CCC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)n1 ZINC000903825339 635293776 /nfs/dbraw/zinc/29/37/76/635293776.db2.gz ZIIXKVDHBMAHIR-CABCVRRESA-N 2 1 292.427 2.022 20 0 CEADMP C(C[N@H+]1CCCSC[C@@H]1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000903826956 635294497 /nfs/dbraw/zinc/29/44/97/635294497.db2.gz PCVKCBHAYNZXAV-GXTWGEPZSA-N 2 1 254.443 2.204 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000903832401 635296789 /nfs/dbraw/zinc/29/67/89/635296789.db2.gz QTYFWOCNMVSXRK-JKSUJKDBSA-N 2 1 273.424 2.197 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC[C@@H]1CC1(Cl)Cl)C2 ZINC000903842732 635301372 /nfs/dbraw/zinc/30/13/72/635301372.db2.gz SSKDUHNYGQBILP-ZDCRXTMVSA-N 2 1 263.212 2.382 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000903843089 635302456 /nfs/dbraw/zinc/30/24/56/635302456.db2.gz BUCCJVJOCGMEOT-CQDKDKBSSA-N 2 1 283.375 2.252 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(Cl)nc1)C2 ZINC000903847451 635303098 /nfs/dbraw/zinc/30/30/98/635303098.db2.gz JKAHHRQZINOAKI-SRVKXCTJSA-N 2 1 251.761 2.047 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(Cl)nc1)C2 ZINC000903847451 635303102 /nfs/dbraw/zinc/30/31/02/635303102.db2.gz JKAHHRQZINOAKI-SRVKXCTJSA-N 2 1 251.761 2.047 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCCOCCc1ccccc1 ZINC000903855758 635306684 /nfs/dbraw/zinc/30/66/84/635306684.db2.gz OZZMTHXUHLCKDX-ZWKOTPCHSA-N 2 1 288.435 2.449 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCCOCCc1ccccc1 ZINC000903855758 635306688 /nfs/dbraw/zinc/30/66/88/635306688.db2.gz OZZMTHXUHLCKDX-ZWKOTPCHSA-N 2 1 288.435 2.449 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2Cc1ccc(-n2cccn2)cc1 ZINC000903857976 635309310 /nfs/dbraw/zinc/30/93/10/635309310.db2.gz WZBQOVPLPBYULP-NVXWUHKLSA-N 2 1 282.391 2.186 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2Cc1ccc(-n2cccn2)cc1 ZINC000903857976 635309315 /nfs/dbraw/zinc/30/93/15/635309315.db2.gz WZBQOVPLPBYULP-NVXWUHKLSA-N 2 1 282.391 2.186 20 0 CEADMP c1c[nH]c([C@@H]2CCCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000903888911 635316839 /nfs/dbraw/zinc/31/68/39/635316839.db2.gz MXZHWGDZXDIPMJ-DKUMPPAJSA-N 2 1 274.412 2.467 20 0 CEADMP c1ccc(COCCC[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000903871033 635320208 /nfs/dbraw/zinc/32/02/08/635320208.db2.gz RWYPRVDGLRKIAX-QGZVFWFLSA-N 2 1 274.408 2.421 20 0 CEADMP c1ccc(COCCC[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000903871033 635320213 /nfs/dbraw/zinc/32/02/13/635320213.db2.gz RWYPRVDGLRKIAX-QGZVFWFLSA-N 2 1 274.408 2.421 20 0 CEADMP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000903873574 635321075 /nfs/dbraw/zinc/32/10/75/635321075.db2.gz SZWCENPTTALHJW-HNNXBMFYSA-N 2 1 291.443 2.357 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C2CC2)C2CCCC2)cnn1C ZINC000903880085 635324382 /nfs/dbraw/zinc/32/43/82/635324382.db2.gz OAHGCRAEVBNRMU-CQSZACIVSA-N 2 1 290.455 2.253 20 0 CEADMP C[C@H](O)C[N@H+](Cc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903887032 635327128 /nfs/dbraw/zinc/32/71/28/635327128.db2.gz XULBFDCKDMIXKP-MIGBEJBISA-N 2 1 288.435 2.400 20 0 CEADMP CC(C)C[C@@H]1COCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903892639 635328723 /nfs/dbraw/zinc/32/87/23/635328723.db2.gz KUHHLMNTIJQUOG-WTXIUTQJSA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000903895665 635331910 /nfs/dbraw/zinc/33/19/10/635331910.db2.gz PQACMRLPPWJYBS-ZCRFILTFSA-N 3 1 279.472 2.179 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000903895665 635331916 /nfs/dbraw/zinc/33/19/16/635331916.db2.gz PQACMRLPPWJYBS-ZCRFILTFSA-N 3 1 279.472 2.179 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000903895665 635331923 /nfs/dbraw/zinc/33/19/23/635331923.db2.gz PQACMRLPPWJYBS-ZCRFILTFSA-N 3 1 279.472 2.179 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000903895665 635331927 /nfs/dbraw/zinc/33/19/27/635331927.db2.gz PQACMRLPPWJYBS-ZCRFILTFSA-N 2 1 279.472 2.179 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000903895665 635331929 /nfs/dbraw/zinc/33/19/29/635331929.db2.gz PQACMRLPPWJYBS-ZCRFILTFSA-N 2 1 279.472 2.179 20 0 CEADMP C[N@@H+](CCC1CCOCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895243 635332161 /nfs/dbraw/zinc/33/21/61/635332161.db2.gz LUFKLALJWRCLAS-MQVJKMGUSA-N 2 1 266.429 2.266 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903898166 635333428 /nfs/dbraw/zinc/33/34/28/635333428.db2.gz LFYXAJYLBHPEHJ-NQKGRLOXSA-N 2 1 288.439 2.260 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000903909249 635343125 /nfs/dbraw/zinc/34/31/25/635343125.db2.gz SHZMNAMMVREZNW-AKBNIOSXSA-N 3 1 279.472 2.322 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000903909249 635343129 /nfs/dbraw/zinc/34/31/29/635343129.db2.gz SHZMNAMMVREZNW-AKBNIOSXSA-N 3 1 279.472 2.322 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000903909249 635343134 /nfs/dbraw/zinc/34/31/34/635343134.db2.gz SHZMNAMMVREZNW-AKBNIOSXSA-N 3 1 279.472 2.322 20 0 CEADMP CCN1CC[C@@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000903909249 635343141 /nfs/dbraw/zinc/34/31/41/635343141.db2.gz SHZMNAMMVREZNW-AKBNIOSXSA-N 2 1 279.472 2.322 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000903909249 635343150 /nfs/dbraw/zinc/34/31/50/635343150.db2.gz SHZMNAMMVREZNW-AKBNIOSXSA-N 2 1 279.472 2.322 20 0 CEADMP NCC[N@@H+](CCc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918407 635347789 /nfs/dbraw/zinc/34/77/89/635347789.db2.gz YVAGFGAXYKYOLU-AYHJJNSGSA-N 2 1 287.451 2.020 20 0 CEADMP [NH3+]CCN(CCc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918407 635347792 /nfs/dbraw/zinc/34/77/92/635347792.db2.gz YVAGFGAXYKYOLU-AYHJJNSGSA-N 2 1 287.451 2.020 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cnn1C ZINC000903932270 635357815 /nfs/dbraw/zinc/35/78/15/635357815.db2.gz QBEFDOHRMCUIDP-ZOBUZTSGSA-N 2 1 290.455 2.110 20 0 CEADMP Clc1cc2c(nn1)C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000903932882 635358487 /nfs/dbraw/zinc/35/84/87/635358487.db2.gz WWPLRJJCPZVJIE-VGPLMAKISA-N 2 1 292.814 2.019 20 0 CEADMP CC(C)(C)[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1O ZINC000903916592 635365529 /nfs/dbraw/zinc/36/55/29/635365529.db2.gz TYLBIYCMAXSKAK-GWONACJQSA-N 2 1 280.456 2.246 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000903946656 635379170 /nfs/dbraw/zinc/37/91/70/635379170.db2.gz YNODDIHXRBVLRG-UHFFFAOYSA-N 2 1 288.439 2.385 20 0 CEADMP C[C@H]1C[C@H](C[N@H+](CCN)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000903953329 635386421 /nfs/dbraw/zinc/38/64/21/635386421.db2.gz DBMKVDTUJUBNTC-DZGCQCFKSA-N 2 1 295.858 2.489 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](CCN)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000903953329 635386427 /nfs/dbraw/zinc/38/64/27/635386427.db2.gz DBMKVDTUJUBNTC-DZGCQCFKSA-N 2 1 295.858 2.489 20 0 CEADMP C[C@H](CC1CCC1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971406 635390461 /nfs/dbraw/zinc/39/04/61/635390461.db2.gz AUZHUEHSHZXFKI-UKRRQHHQSA-N 2 1 266.429 2.313 20 0 CEADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964903 635399308 /nfs/dbraw/zinc/39/93/08/635399308.db2.gz XUFBXKVJVQVKHB-UHIISALHSA-N 2 1 252.789 2.469 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@]1(C)CCC[NH2+]C1 ZINC000904303667 635554839 /nfs/dbraw/zinc/55/48/39/635554839.db2.gz CDBQOVPKXGCXHB-INIZCTEOSA-N 2 1 276.380 2.237 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@]1(C)CCC[NH2+]C1 ZINC000904303667 635554840 /nfs/dbraw/zinc/55/48/40/635554840.db2.gz CDBQOVPKXGCXHB-INIZCTEOSA-N 2 1 276.380 2.237 20 0 CEADMP COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308553 635558597 /nfs/dbraw/zinc/55/85/97/635558597.db2.gz RTNBQSVHFVQVSW-BMFZPTHFSA-N 2 1 290.407 2.035 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314406 635561875 /nfs/dbraw/zinc/56/18/75/635561875.db2.gz WDQHJPXJDDVJDT-VVLHAWIVSA-N 3 1 279.472 2.310 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314406 635561878 /nfs/dbraw/zinc/56/18/78/635561878.db2.gz WDQHJPXJDDVJDT-VVLHAWIVSA-N 3 1 279.472 2.310 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314406 635561881 /nfs/dbraw/zinc/56/18/81/635561881.db2.gz WDQHJPXJDDVJDT-VVLHAWIVSA-N 3 1 279.472 2.310 20 0 CEADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314406 635561887 /nfs/dbraw/zinc/56/18/87/635561887.db2.gz WDQHJPXJDDVJDT-VVLHAWIVSA-N 2 1 279.472 2.310 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904314406 635561892 /nfs/dbraw/zinc/56/18/92/635561892.db2.gz WDQHJPXJDDVJDT-VVLHAWIVSA-N 2 1 279.472 2.310 20 0 CEADMP Cn1cc(C[C@H]2CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C2)cn1 ZINC000904326722 635572340 /nfs/dbraw/zinc/57/23/40/635572340.db2.gz RFHHCANSBIXCCA-GDBMZVCRSA-N 2 1 292.471 2.438 20 0 CEADMP Cn1cc(C[C@H]2CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C2)cn1 ZINC000904326722 635572342 /nfs/dbraw/zinc/57/23/42/635572342.db2.gz RFHHCANSBIXCCA-GDBMZVCRSA-N 2 1 292.471 2.438 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@H](CCc3ccccc3)C2)C1 ZINC000904331416 635576127 /nfs/dbraw/zinc/57/61/27/635576127.db2.gz HFBQVDLUFCDJBZ-IXDOHACOSA-N 2 1 274.408 2.057 20 0 CEADMP CC(C)(C)CC[C@H](N)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000904350277 635584035 /nfs/dbraw/zinc/58/40/35/635584035.db2.gz JXLPAXFSEVVKDR-OAGGEKHMSA-N 2 1 281.488 2.462 20 0 CEADMP CC(C)(C)CC[C@H](N)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000904350277 635584041 /nfs/dbraw/zinc/58/40/41/635584041.db2.gz JXLPAXFSEVVKDR-OAGGEKHMSA-N 2 1 281.488 2.462 20 0 CEADMP C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C[NH3+])cc1 ZINC000904370850 635592678 /nfs/dbraw/zinc/59/26/78/635592678.db2.gz FQARTUMUISSBKN-UHFFFAOYSA-N 2 1 293.411 2.102 20 0 CEADMP CCC1([NH+]2CCCC2)CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904384787 635606556 /nfs/dbraw/zinc/60/65/56/635606556.db2.gz NZQYTDIGQYZNMJ-GASCZTMLSA-N 2 1 265.445 2.064 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000904404938 635610906 /nfs/dbraw/zinc/61/09/06/635610906.db2.gz BPNLVWFXTYUOBE-CYBMUJFWSA-N 2 1 276.380 2.019 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)c(-c2ccccc2)n1 ZINC000904406915 635613491 /nfs/dbraw/zinc/61/34/91/635613491.db2.gz WYDMPTOQISYPGH-AWEZNQCLSA-N 2 1 284.407 2.258 20 0 CEADMP CCn1c2ccccc2nc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904410730 635616279 /nfs/dbraw/zinc/61/62/79/635616279.db2.gz GGWFNEBVCCLIMS-KGLIPLIRSA-N 2 1 286.423 2.473 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000904410418 635616285 /nfs/dbraw/zinc/61/62/85/635616285.db2.gz DIJUEYKAAIOUCH-OLZOCXBDSA-N 2 1 278.396 2.121 20 0 CEADMP COCCOc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904410164 635616681 /nfs/dbraw/zinc/61/66/81/635616681.db2.gz CNZQWYCZORBVRT-GJZGRUSLSA-N 2 1 292.423 2.129 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904410547 635616716 /nfs/dbraw/zinc/61/67/16/635616716.db2.gz HICPUUAMZWZPGG-JSGCOSHPSA-N 2 1 275.396 2.062 20 0 CEADMP Cn1ccnc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904411192 635619405 /nfs/dbraw/zinc/61/94/05/635619405.db2.gz JMCBKFCSLQPSJZ-CQSZACIVSA-N 2 1 276.428 2.022 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc3ccc(Cl)cn23)CC[C@H]1C[NH3+] ZINC000904411887 635619456 /nfs/dbraw/zinc/61/94/56/635619456.db2.gz PPKUGKQKHSXFAY-NEPJUHHUSA-N 2 1 292.814 2.404 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CC[C@@H]1C[NH3+] ZINC000904412706 635620526 /nfs/dbraw/zinc/62/05/26/635620526.db2.gz YCMVPRYWCBUNJR-CHWSQXEVSA-N 2 1 290.436 2.351 20 0 CEADMP c1ccc2c(c1)cncc2C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420874 635631900 /nfs/dbraw/zinc/63/19/00/635631900.db2.gz WRQJCTTZRCBBHU-LSDHHAIUSA-N 2 1 267.376 2.276 20 0 CEADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)C(C)(C)CO ZINC000924801968 635766541 /nfs/dbraw/zinc/76/65/41/635766541.db2.gz IWIHNXVFPGEAHW-ZDUSSCGKSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C(C)(C)CO ZINC000924801968 635766544 /nfs/dbraw/zinc/76/65/44/635766544.db2.gz IWIHNXVFPGEAHW-ZDUSSCGKSA-N 2 1 256.434 2.248 20 0 CEADMP CC[C@@](O)(C[NH2+]C[C@@H](C)C[NH+]1CCCC1)C(F)(F)F ZINC000905055994 635803620 /nfs/dbraw/zinc/80/36/20/635803620.db2.gz VKMDEYBZWDKASP-VXGBXAGGSA-N 2 1 282.350 2.011 20 0 CEADMP C[N@@H+](Cc1cn(CCCCCC[NH3+])nn1)C(C)(C)C ZINC000905056847 635804957 /nfs/dbraw/zinc/80/49/57/635804957.db2.gz IBVHMMXXTITQAJ-UHFFFAOYSA-N 2 1 267.421 2.028 20 0 CEADMP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)[NH+](C)C ZINC000826665793 635806497 /nfs/dbraw/zinc/80/64/97/635806497.db2.gz BFMKPDZRVBIJQC-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP [NH3+][C@H](CCc1nc(C2([NH3+])CC2)no1)CC1CCCCC1 ZINC000905326671 636224415 /nfs/dbraw/zinc/22/44/15/636224415.db2.gz HPOUMAJLZHBPSX-GFCCVEGCSA-N 2 1 278.400 2.248 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000827318774 636292198 /nfs/dbraw/zinc/29/21/98/636292198.db2.gz JCCULIRWFPINKX-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1nc(N2CCC[NH2+]CC2)cc(Nc2ccccc2)[nH+]1 ZINC000905622747 636349344 /nfs/dbraw/zinc/34/93/44/636349344.db2.gz LOCOSGHFEIZZLF-UHFFFAOYSA-N 2 1 283.379 2.328 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827813641 636430952 /nfs/dbraw/zinc/43/09/52/636430952.db2.gz XFAZHMZGCNQCMR-GHMZBOCLSA-N 2 1 265.228 2.454 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000827813641 636430959 /nfs/dbraw/zinc/43/09/59/636430959.db2.gz XFAZHMZGCNQCMR-GHMZBOCLSA-N 2 1 265.228 2.454 20 0 CEADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)CC[NH2+]C(C)(C)C ZINC000828489190 636608730 /nfs/dbraw/zinc/60/87/30/636608730.db2.gz PTQMUHRONLEUMD-HNNXBMFYSA-N 2 1 289.423 2.068 20 0 CEADMP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)CC[NH2+]C(C)(C)C ZINC000828489190 636608735 /nfs/dbraw/zinc/60/87/35/636608735.db2.gz PTQMUHRONLEUMD-HNNXBMFYSA-N 2 1 289.423 2.068 20 0 CEADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906507781 636758831 /nfs/dbraw/zinc/75/88/31/636758831.db2.gz BXUDUVNMYKAQDV-HDJSIYSDSA-N 2 1 288.370 2.208 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000906794578 636854790 /nfs/dbraw/zinc/85/47/90/636854790.db2.gz YSHRMXBSLRVKHU-CABCVRRESA-N 2 1 297.487 2.201 20 0 CEADMP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000907657757 637082422 /nfs/dbraw/zinc/08/24/22/637082422.db2.gz PXMOFVYVMCVZBE-AWEZNQCLSA-N 2 1 283.460 2.050 20 0 CEADMP C([NH2+][C@H](C1CC1)C1CCCC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000834566984 637871153 /nfs/dbraw/zinc/87/11/53/637871153.db2.gz WLTSIBOXHCRQBR-ULQDDVLXSA-N 2 1 278.440 2.408 20 0 CEADMP C([NH2+][C@H](C1CC1)C1CCCC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000834566984 637871157 /nfs/dbraw/zinc/87/11/57/637871157.db2.gz WLTSIBOXHCRQBR-ULQDDVLXSA-N 2 1 278.440 2.408 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000126110490 650401992 /nfs/dbraw/zinc/40/19/92/650401992.db2.gz BJMIOAKISYRCMK-HOTGVXAUSA-N 2 1 297.487 2.297 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000126110490 650401996 /nfs/dbraw/zinc/40/19/96/650401996.db2.gz BJMIOAKISYRCMK-HOTGVXAUSA-N 2 1 297.487 2.297 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000126110490 650401999 /nfs/dbraw/zinc/40/19/99/650401999.db2.gz BJMIOAKISYRCMK-HOTGVXAUSA-N 2 1 297.487 2.297 20 0 CEADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876720980 650409777 /nfs/dbraw/zinc/40/97/77/650409777.db2.gz OCMGFUAHLPJBEZ-BETUJISGSA-N 2 1 299.378 2.032 20 0 CEADMP CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000911511868 638310979 /nfs/dbraw/zinc/31/09/79/638310979.db2.gz LVNPPQLJJVLANU-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)[C@@H]1CC[NH+](C)C1 ZINC000911511868 638310983 /nfs/dbraw/zinc/31/09/83/638310983.db2.gz LVNPPQLJJVLANU-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)[C@@H]1CC[NH+](C)C1 ZINC000911511868 638310988 /nfs/dbraw/zinc/31/09/88/638310988.db2.gz LVNPPQLJJVLANU-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000912281731 638629134 /nfs/dbraw/zinc/62/91/34/638629134.db2.gz BYQMLGAGIRSWGY-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000912281731 638629136 /nfs/dbraw/zinc/62/91/36/638629136.db2.gz BYQMLGAGIRSWGY-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000912281731 638629139 /nfs/dbraw/zinc/62/91/39/638629139.db2.gz BYQMLGAGIRSWGY-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC(C)([NH+](C)C)CC2)C1 ZINC000913386885 639270764 /nfs/dbraw/zinc/27/07/64/639270764.db2.gz JQFXRNYCDZYIPR-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP COc1cccc2[nH]cc(CC[NH2+]C3CC[NH+](C)CC3)c21 ZINC000157099928 639428900 /nfs/dbraw/zinc/42/89/00/639428900.db2.gz GEFZVAVEGAAOMI-UHFFFAOYSA-N 2 1 287.407 2.403 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000877026533 639464469 /nfs/dbraw/zinc/46/44/69/639464469.db2.gz BXPWGKJEPYRHBX-NXEZZACHSA-N 2 1 251.201 2.112 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877041801 639467769 /nfs/dbraw/zinc/46/77/69/639467769.db2.gz OJWJORAJLGPNFY-VXGBXAGGSA-N 2 1 295.254 2.007 20 0 CEADMP CC[N@@H+](CCc1ccccn1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841008822 639616001 /nfs/dbraw/zinc/61/60/01/639616001.db2.gz XKNYZYQNDUNISM-GJZGRUSLSA-N 2 1 261.413 2.334 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC000228476346 639637443 /nfs/dbraw/zinc/63/74/43/639637443.db2.gz DTXNUECGXQUIQB-RAIGVLPGSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC000228476346 639637445 /nfs/dbraw/zinc/63/74/45/639637445.db2.gz DTXNUECGXQUIQB-RAIGVLPGSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)nc3)C[C@@H]21 ZINC000230047500 639730113 /nfs/dbraw/zinc/73/01/13/639730113.db2.gz TVFHNCYFTLKEEP-FRRDWIJNSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)nc3)C[C@@H]21 ZINC000230047500 639730114 /nfs/dbraw/zinc/73/01/14/639730114.db2.gz TVFHNCYFTLKEEP-FRRDWIJNSA-N 2 1 265.788 2.294 20 0 CEADMP C[C@@]1(C[N@@H+]2CCOc3ccccc3C2)CCC[NH2+]C1 ZINC000063013497 639818866 /nfs/dbraw/zinc/81/88/66/639818866.db2.gz SBBBRZVULLGZOM-MRXNPFEDSA-N 2 1 260.381 2.271 20 0 CEADMP C[C@@]1(C[N@H+]2CCOc3ccccc3C2)CCC[NH2+]C1 ZINC000063013497 639818875 /nfs/dbraw/zinc/81/88/75/639818875.db2.gz SBBBRZVULLGZOM-MRXNPFEDSA-N 2 1 260.381 2.271 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCCCCO)C1 ZINC000173924750 639883697 /nfs/dbraw/zinc/88/36/97/639883697.db2.gz IZSYITWTHPSDDO-OAHLLOKOSA-N 2 1 256.434 2.203 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCCCCCO)C1 ZINC000173924750 639883700 /nfs/dbraw/zinc/88/37/00/639883700.db2.gz IZSYITWTHPSDDO-OAHLLOKOSA-N 2 1 256.434 2.203 20 0 CEADMP c1cncc(CCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000929697810 640022309 /nfs/dbraw/zinc/02/23/09/640022309.db2.gz VKYXTAZQJSZKQV-KRWDZBQOSA-N 2 1 273.424 2.432 20 0 CEADMP CCCNC(=O)[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000842472256 640071369 /nfs/dbraw/zinc/07/13/69/640071369.db2.gz VEOSCUVVQUZFGK-OAHLLOKOSA-N 2 1 283.460 2.134 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000842476214 640075004 /nfs/dbraw/zinc/07/50/04/640075004.db2.gz JHKUFBNGPWCSAS-GJZGRUSLSA-N 2 1 297.487 2.439 20 0 CEADMP Nc1nccc([C@H]2CCC[N@@H+](CCCCCCC[NH3+])C2)n1 ZINC000842476907 640076727 /nfs/dbraw/zinc/07/67/27/640076727.db2.gz WJHRSKYROCRTEN-AWEZNQCLSA-N 2 1 291.443 2.147 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000842478663 640077617 /nfs/dbraw/zinc/07/76/17/640077617.db2.gz LKSUEDKSJOJRQX-OWCLPIDISA-N 2 1 297.487 2.378 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000842478663 640077625 /nfs/dbraw/zinc/07/76/25/640077625.db2.gz LKSUEDKSJOJRQX-OWCLPIDISA-N 2 1 297.487 2.378 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245677299 640135908 /nfs/dbraw/zinc/13/59/08/640135908.db2.gz LLKWVSOIKKZAHI-RQJABVFESA-N 2 1 266.385 2.164 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245677299 640135910 /nfs/dbraw/zinc/13/59/10/640135910.db2.gz LLKWVSOIKKZAHI-RQJABVFESA-N 2 1 266.385 2.164 20 0 CEADMP Cc1cccc([C@H](O)CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000929783710 640200058 /nfs/dbraw/zinc/20/00/58/640200058.db2.gz YTXIZPRDEXJJJC-HYVNUMGLSA-N 2 1 276.424 2.443 20 0 CEADMP Cc1cccc([C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000929783710 640200063 /nfs/dbraw/zinc/20/00/63/640200063.db2.gz YTXIZPRDEXJJJC-HYVNUMGLSA-N 2 1 276.424 2.443 20 0 CEADMP Cc1cccc([C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000929783710 640200065 /nfs/dbraw/zinc/20/00/65/640200065.db2.gz YTXIZPRDEXJJJC-HYVNUMGLSA-N 2 1 276.424 2.443 20 0 CEADMP Cc1cccc([C@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000929783710 640200067 /nfs/dbraw/zinc/20/00/67/640200067.db2.gz YTXIZPRDEXJJJC-HYVNUMGLSA-N 2 1 276.424 2.443 20 0 CEADMP Cc1cccc([C@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000929783710 640200068 /nfs/dbraw/zinc/20/00/68/640200068.db2.gz YTXIZPRDEXJJJC-HYVNUMGLSA-N 2 1 276.424 2.443 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000843047874 640252122 /nfs/dbraw/zinc/25/21/22/640252122.db2.gz ZRXLOXMORORGSP-CYBMUJFWSA-N 2 1 255.365 2.406 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)COC2)C1CCC([NH3+])CC1 ZINC000843055496 640257334 /nfs/dbraw/zinc/25/73/34/640257334.db2.gz DAYZCFBUTJWXKY-UHFFFAOYSA-N 2 1 260.381 2.419 20 0 CEADMP C[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)C1CCC([NH3+])CC1 ZINC000843054833 640257623 /nfs/dbraw/zinc/25/76/23/640257623.db2.gz JXCXLUICOZFEGQ-UHFFFAOYSA-N 2 1 276.306 2.130 20 0 CEADMP Cc1cc(C)n2c(C[N@H+](C)C3CCC([NH3+])CC3)cnc2n1 ZINC000843055829 640258387 /nfs/dbraw/zinc/25/83/87/640258387.db2.gz PQLHNJGQHGFCHT-UHFFFAOYSA-N 2 1 287.411 2.048 20 0 CEADMP CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000843061938 640263789 /nfs/dbraw/zinc/26/37/89/640263789.db2.gz JKRJKXMLONGNCY-NVXWUHKLSA-N 2 1 276.424 2.350 20 0 CEADMP CCc1ccc(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000843062684 640264790 /nfs/dbraw/zinc/26/47/90/640264790.db2.gz RBYCDPKXBSYOBM-GOSISDBHSA-N 2 1 287.451 2.371 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000843125231 640292156 /nfs/dbraw/zinc/29/21/56/640292156.db2.gz ONMKBXUVADQRQB-KGLIPLIRSA-N 2 1 295.814 2.063 20 0 CEADMP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc12 ZINC000843127612 640294543 /nfs/dbraw/zinc/29/45/43/640294543.db2.gz FDSVZDXYZUBEPM-IUCAKERBSA-N 2 1 295.818 2.146 20 0 CEADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H](C[NH3+])C3)c2cc1C ZINC000843348251 640397998 /nfs/dbraw/zinc/39/79/98/640397998.db2.gz IPDKFYGBRIGELK-ZDUSSCGKSA-N 2 1 286.375 2.190 20 0 CEADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@H](C[NH3+])C3)c2cc1C ZINC000843348251 640398003 /nfs/dbraw/zinc/39/80/03/640398003.db2.gz IPDKFYGBRIGELK-ZDUSSCGKSA-N 2 1 286.375 2.190 20 0 CEADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000843358190 640402464 /nfs/dbraw/zinc/40/24/64/640402464.db2.gz AXWGPXUJFAEJGV-HOTGVXAUSA-N 2 1 262.397 2.184 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000844163286 640620974 /nfs/dbraw/zinc/62/09/74/640620974.db2.gz ZOWBHRXJIXKYBT-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H](CNC(=O)c1cccc(C[NH3+])c1)[N@H+]1CCCC[C@@H]1C ZINC000844171467 640623436 /nfs/dbraw/zinc/62/34/36/640623436.db2.gz JAADYJPOUQVREL-UONOGXRCSA-N 2 1 289.423 2.138 20 0 CEADMP Cc1ccc(NCCCNC(=O)c2cccc(C[NH3+])c2)[nH+]c1 ZINC000844188241 640626718 /nfs/dbraw/zinc/62/67/18/640626718.db2.gz VLABURQXGPKYQQ-UHFFFAOYSA-N 2 1 298.390 2.081 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)NCCCCCC[NH3+])c1ccccc1 ZINC000844200975 640629750 /nfs/dbraw/zinc/62/97/50/640629750.db2.gz JGHFVPJKHXPSRQ-INIZCTEOSA-N 2 1 291.439 2.315 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000844222207 640635611 /nfs/dbraw/zinc/63/56/11/640635611.db2.gz ZVYSISLPVCIWDF-KRWDZBQOSA-N 2 1 297.487 2.082 20 0 CEADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000844221629 640635634 /nfs/dbraw/zinc/63/56/34/640635634.db2.gz IFAXJDAXORTWQG-YOEHRIQHSA-N 2 1 273.424 2.499 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCCCC[NH3+])CCN1C ZINC000844221870 640635685 /nfs/dbraw/zinc/63/56/85/640635685.db2.gz WZMNNHCDJSCLAN-CABCVRRESA-N 2 1 255.450 2.310 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCCC[NH3+])CC[N@@H+]1C ZINC000844221870 640635687 /nfs/dbraw/zinc/63/56/87/640635687.db2.gz WZMNNHCDJSCLAN-CABCVRRESA-N 3 1 255.450 2.310 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCCC[NH3+])CC[N@H+]1C ZINC000844221870 640635688 /nfs/dbraw/zinc/63/56/88/640635688.db2.gz WZMNNHCDJSCLAN-CABCVRRESA-N 3 1 255.450 2.310 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCCCC[NH3+])CC[NH+]1C ZINC000844221870 640635689 /nfs/dbraw/zinc/63/56/89/640635689.db2.gz WZMNNHCDJSCLAN-CABCVRRESA-N 3 1 255.450 2.310 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCCCC[NH3+])CC[NH+]1C ZINC000844221870 640635690 /nfs/dbraw/zinc/63/56/90/640635690.db2.gz WZMNNHCDJSCLAN-CABCVRRESA-N 3 1 255.450 2.310 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994080278 640693475 /nfs/dbraw/zinc/69/34/75/640693475.db2.gz MSCJOXYHBGGDKX-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1nc(C)cs1 ZINC000844904732 640861095 /nfs/dbraw/zinc/86/10/95/640861095.db2.gz PBAOZOBYJXHRKZ-UHFFFAOYSA-N 2 1 261.394 2.461 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1 ZINC000877206775 650627704 /nfs/dbraw/zinc/62/77/04/650627704.db2.gz PIYMJMWPKKQYOZ-CYBMUJFWSA-N 2 1 289.423 2.263 20 0 CEADMP [NH3+]CCCCCC[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000846218729 641227500 /nfs/dbraw/zinc/22/75/00/641227500.db2.gz SGRILOADVPKGLT-UHFFFAOYSA-N 2 1 295.452 2.025 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000846221385 641230915 /nfs/dbraw/zinc/23/09/15/641230915.db2.gz YCRNGQOBBGXYNU-HZPDHXFCSA-N 3 1 267.461 2.217 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000846221384 641231470 /nfs/dbraw/zinc/23/14/70/641231470.db2.gz YCRNGQOBBGXYNU-HOTGVXAUSA-N 3 1 267.461 2.217 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CCCCC[NH3+])C1 ZINC000237574721 641353796 /nfs/dbraw/zinc/35/37/96/641353796.db2.gz SMWMAAVMOQIPKK-HNNXBMFYSA-N 2 1 283.460 2.134 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2nonc2c1 ZINC000846833075 641445141 /nfs/dbraw/zinc/44/51/41/641445141.db2.gz IZKAKYIARRGQAK-UHFFFAOYSA-N 2 1 285.351 2.250 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2nonc2c1 ZINC000846833075 641445142 /nfs/dbraw/zinc/44/51/42/641445142.db2.gz IZKAKYIARRGQAK-UHFFFAOYSA-N 2 1 285.351 2.250 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000070170653 641639583 /nfs/dbraw/zinc/63/95/83/641639583.db2.gz JPMLATWPVSNOSJ-ZDUSSCGKSA-N 2 1 293.386 2.215 20 0 CEADMP CC(C)[C@@H](C(=O)OCC[C@@H]1CC[N@@H+](C)C1)[NH+]1CCCCC1 ZINC000847821440 641790583 /nfs/dbraw/zinc/79/05/83/641790583.db2.gz GIXXSIUGDODPFQ-HOTGVXAUSA-N 2 1 296.455 2.382 20 0 CEADMP O=c1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc[nH]1 ZINC000921501392 642033386 /nfs/dbraw/zinc/03/33/86/642033386.db2.gz KVKNKAWTTZSHSU-UHFFFAOYSA-N 2 1 297.402 2.325 20 0 CEADMP O=c1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc[nH]1 ZINC000921501392 642033388 /nfs/dbraw/zinc/03/33/88/642033388.db2.gz KVKNKAWTTZSHSU-UHFFFAOYSA-N 2 1 297.402 2.325 20 0 CEADMP CSC(C)(C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848531296 642037323 /nfs/dbraw/zinc/03/73/23/642037323.db2.gz NVSUMLYRZSZVKP-AWEZNQCLSA-N 2 1 286.485 2.361 20 0 CEADMP Cn1c(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cnc1Cl ZINC000848538979 642042189 /nfs/dbraw/zinc/04/21/89/642042189.db2.gz BZBMLQWZWRLUQQ-GHMZBOCLSA-N 2 1 270.808 2.036 20 0 CEADMP CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995798909 642075661 /nfs/dbraw/zinc/07/56/61/642075661.db2.gz QGYMCVXZLPDZBT-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1(C)C ZINC000995872321 642080173 /nfs/dbraw/zinc/08/01/73/642080173.db2.gz NJZSLIBWIRYRKV-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC000996378965 642104182 /nfs/dbraw/zinc/10/41/82/642104182.db2.gz IXAMHHVAPDNJPC-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]C(C)C)C(C)(C)C1 ZINC000996675611 642126790 /nfs/dbraw/zinc/12/67/90/642126790.db2.gz GGDJKHRGDLGYSX-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1 ZINC000877452264 650725321 /nfs/dbraw/zinc/72/53/21/650725321.db2.gz VRSNAEOKKIAYII-APHBMKBZSA-N 2 1 287.407 2.015 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(F)c(F)c1 ZINC000848984613 642207698 /nfs/dbraw/zinc/20/76/98/642207698.db2.gz IOUGWQQWIKZNTO-LBPRGKRZSA-N 2 1 296.365 2.063 20 0 CEADMP C[C@H](CNC(=[NH2+])Nc1ccccn1)[N@H+]1CCCC[C@@H]1C ZINC000848987163 642209433 /nfs/dbraw/zinc/20/94/33/642209433.db2.gz KQMRVOYLQUYQTL-QWHCGFSZSA-N 2 1 275.400 2.281 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921536839 642213752 /nfs/dbraw/zinc/21/37/52/642213752.db2.gz SBDINBMQPWHIJG-OAHLLOKOSA-N 2 1 296.434 2.454 20 0 CEADMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000849024086 642237817 /nfs/dbraw/zinc/23/78/17/642237817.db2.gz QCAXCTJRNSANLF-RYUDHWBXSA-N 2 1 254.422 2.019 20 0 CEADMP CC[C@@H]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849035406 642246708 /nfs/dbraw/zinc/24/67/08/642246708.db2.gz FOKGYJASMZISTK-KFWWJZLASA-N 2 1 280.460 2.411 20 0 CEADMP C[N@@H+](CCCCNC(=[NH2+])Nc1ccccc1)C1CC1 ZINC000849039697 642250895 /nfs/dbraw/zinc/25/08/95/642250895.db2.gz NOUADGJVKJHVMR-UHFFFAOYSA-N 2 1 260.385 2.497 20 0 CEADMP COc1ccc(NC(=[NH2+])NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000849041131 642251382 /nfs/dbraw/zinc/25/13/82/642251382.db2.gz LAUVYGMKVUHBDP-CYBMUJFWSA-N 2 1 290.411 2.363 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000849046275 642255826 /nfs/dbraw/zinc/25/58/26/642255826.db2.gz ATETWKVGDIUIAY-CQSZACIVSA-N 2 1 268.449 2.221 20 0 CEADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000997947756 642346437 /nfs/dbraw/zinc/34/64/37/642346437.db2.gz FBAWTBPVXHXLMO-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000997947756 642346442 /nfs/dbraw/zinc/34/64/42/642346442.db2.gz FBAWTBPVXHXLMO-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CCC[N@@H+](CC)CC1 ZINC000998005518 642355638 /nfs/dbraw/zinc/35/56/38/642355638.db2.gz CNSKBSJWLPSOBP-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCC[NH+](CC)CC1 ZINC000998005518 642355640 /nfs/dbraw/zinc/35/56/40/642355640.db2.gz CNSKBSJWLPSOBP-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCC[NH+](CC)CC1 ZINC000998005518 642355646 /nfs/dbraw/zinc/35/56/46/642355646.db2.gz CNSKBSJWLPSOBP-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]C(C)C)C1 ZINC000999036826 642454704 /nfs/dbraw/zinc/45/47/04/642454704.db2.gz WZTKYFZROZFLES-GPANFISMSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921689008 642528313 /nfs/dbraw/zinc/52/83/13/642528313.db2.gz ORHFVOGIFWAPCE-CQSZACIVSA-N 2 1 282.407 2.063 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921689008 642528321 /nfs/dbraw/zinc/52/83/21/642528321.db2.gz ORHFVOGIFWAPCE-CQSZACIVSA-N 2 1 282.407 2.063 20 0 CEADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000921689527 642533791 /nfs/dbraw/zinc/53/37/91/642533791.db2.gz FXMOGKIWOWOHHM-BYNSBNAKSA-N 2 1 284.469 2.113 20 0 CEADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000921689527 642533794 /nfs/dbraw/zinc/53/37/94/642533794.db2.gz FXMOGKIWOWOHHM-BYNSBNAKSA-N 2 1 284.469 2.113 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C2CC(C)(C)C2)s1 ZINC000850417088 642704629 /nfs/dbraw/zinc/70/46/29/642704629.db2.gz VWRGWFDSTVODPV-UHFFFAOYSA-N 2 1 253.415 2.483 20 0 CEADMP C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850509440 642736318 /nfs/dbraw/zinc/73/63/18/642736318.db2.gz QDDOCONTAXZLIF-XOKHGSTOSA-N 2 1 274.408 2.141 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921915174 642784195 /nfs/dbraw/zinc/78/41/95/642784195.db2.gz RKBCLWZQSWRBBA-HNNXBMFYSA-N 2 1 296.434 2.310 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921915174 642784201 /nfs/dbraw/zinc/78/42/01/642784201.db2.gz RKBCLWZQSWRBBA-HNNXBMFYSA-N 2 1 296.434 2.310 20 0 CEADMP C(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CO[C@H]1CCCCO1 ZINC000922232959 642971324 /nfs/dbraw/zinc/97/13/24/642971324.db2.gz ZUKKGAFSNXKREV-XHSDSOJGSA-N 2 1 282.428 2.136 20 0 CEADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CO[C@H]1CCCCO1 ZINC000922232957 642971374 /nfs/dbraw/zinc/97/13/74/642971374.db2.gz ZUKKGAFSNXKREV-PMPSAXMXSA-N 2 1 282.428 2.136 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC1CC[NH+](CCC)CC1 ZINC000109936095 642995742 /nfs/dbraw/zinc/99/57/42/642995742.db2.gz ZBGHRMZDYULTLW-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP CC1(C)OC[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000851779068 643158562 /nfs/dbraw/zinc/15/85/62/643158562.db2.gz PYBZAWXZGWNHSY-CABCVRRESA-N 2 1 282.428 2.088 20 0 CEADMP CC1(C)OC[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000851779068 643158566 /nfs/dbraw/zinc/15/85/66/643158566.db2.gz PYBZAWXZGWNHSY-CABCVRRESA-N 2 1 282.428 2.088 20 0 CEADMP C[N@H+](CCOC(F)F)CC[C@@H]1CCCC[NH+]1C ZINC000851787476 643163032 /nfs/dbraw/zinc/16/30/32/643163032.db2.gz VPRMWBHCQIDANT-NSHDSACASA-N 2 1 250.333 2.032 20 0 CEADMP C[N@@H+](CCOC(F)F)CC[C@@H]1CCCC[NH+]1C ZINC000851787476 643163037 /nfs/dbraw/zinc/16/30/37/643163037.db2.gz VPRMWBHCQIDANT-NSHDSACASA-N 2 1 250.333 2.032 20 0 CEADMP C[NH+](CCOC(F)F)CC[C@@H]1CCCC[N@@H+]1C ZINC000851787476 643163039 /nfs/dbraw/zinc/16/30/39/643163039.db2.gz VPRMWBHCQIDANT-NSHDSACASA-N 2 1 250.333 2.032 20 0 CEADMP C[NH+](CCOC(F)F)CC[C@@H]1CCCC[N@H+]1C ZINC000851787476 643163042 /nfs/dbraw/zinc/16/30/42/643163042.db2.gz VPRMWBHCQIDANT-NSHDSACASA-N 2 1 250.333 2.032 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851796167 643167298 /nfs/dbraw/zinc/16/72/98/643167298.db2.gz WLWXZLYOFHEFBI-HZPDHXFCSA-N 2 1 296.455 2.192 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851796167 643167300 /nfs/dbraw/zinc/16/73/00/643167300.db2.gz WLWXZLYOFHEFBI-HZPDHXFCSA-N 2 1 296.455 2.192 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851796167 643167301 /nfs/dbraw/zinc/16/73/01/643167301.db2.gz WLWXZLYOFHEFBI-HZPDHXFCSA-N 2 1 296.455 2.192 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2COC(C)(C)O2)C[C@H]1C ZINC000851797885 643168397 /nfs/dbraw/zinc/16/83/97/643168397.db2.gz XCKQSCJXZZJTNT-ILXRZTDVSA-N 2 1 284.444 2.333 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2COC(C)(C)O2)C[C@H]1C ZINC000851797885 643168399 /nfs/dbraw/zinc/16/83/99/643168399.db2.gz XCKQSCJXZZJTNT-ILXRZTDVSA-N 2 1 284.444 2.333 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2COC(C)(C)O2)C[C@H]1C ZINC000851797885 643168403 /nfs/dbraw/zinc/16/84/03/643168403.db2.gz XCKQSCJXZZJTNT-ILXRZTDVSA-N 2 1 284.444 2.333 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851799570 643169713 /nfs/dbraw/zinc/16/97/13/643169713.db2.gz ZYGQFUUQEUWMPE-CABCVRRESA-N 2 1 284.444 2.192 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851799570 643169715 /nfs/dbraw/zinc/16/97/15/643169715.db2.gz ZYGQFUUQEUWMPE-CABCVRRESA-N 2 1 284.444 2.192 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851799570 643169719 /nfs/dbraw/zinc/16/97/19/643169719.db2.gz ZYGQFUUQEUWMPE-CABCVRRESA-N 2 1 284.444 2.192 20 0 CEADMP CCO[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1)C[NH+](C)C ZINC000922754712 643245390 /nfs/dbraw/zinc/24/53/90/643245390.db2.gz SIRZDCXTBAHAGE-CZUORRHYSA-N 2 1 282.403 2.313 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)C[NH+](C)C ZINC000922754933 643245897 /nfs/dbraw/zinc/24/58/97/643245897.db2.gz VWBWUHJVHYASEU-MGPQQGTHSA-N 2 1 256.434 2.367 20 0 CEADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)c1ccccc1)C2 ZINC000852104410 643308385 /nfs/dbraw/zinc/30/83/85/643308385.db2.gz BKUKHVOEOWYOSG-SJORKVTESA-N 2 1 274.408 2.138 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)c1ccccc1)C2 ZINC000852104410 643308387 /nfs/dbraw/zinc/30/83/87/643308387.db2.gz BKUKHVOEOWYOSG-SJORKVTESA-N 2 1 274.408 2.138 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)c1ccccc1)C2 ZINC000852104410 643308393 /nfs/dbraw/zinc/30/83/93/643308393.db2.gz BKUKHVOEOWYOSG-SJORKVTESA-N 2 1 274.408 2.138 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)c1ccccc1)C2 ZINC000852104410 643308396 /nfs/dbraw/zinc/30/83/96/643308396.db2.gz BKUKHVOEOWYOSG-SJORKVTESA-N 2 1 274.408 2.138 20 0 CEADMP Cc1ccc(NCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000922927346 643455118 /nfs/dbraw/zinc/45/51/18/643455118.db2.gz GZNCOYQQPSJVBA-LSDHHAIUSA-N 2 1 274.412 2.018 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000852711619 643520432 /nfs/dbraw/zinc/52/04/32/643520432.db2.gz HBWGRVNQGGUWGY-IRXDYDNUSA-N 2 1 280.456 2.488 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000852711619 643520440 /nfs/dbraw/zinc/52/04/40/643520440.db2.gz HBWGRVNQGGUWGY-IRXDYDNUSA-N 2 1 280.456 2.488 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000852744084 643528742 /nfs/dbraw/zinc/52/87/42/643528742.db2.gz REVHVXGPIDAZHF-LBPRGKRZSA-N 2 1 298.333 2.221 20 0 CEADMP [NH3+]CCC[N@@H+](CCOC(F)F)CC1CCCC1 ZINC000852749222 643532968 /nfs/dbraw/zinc/53/29/68/643532968.db2.gz JMUNWJKCFANBNQ-UHFFFAOYSA-N 2 1 250.333 2.067 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852753863 643537839 /nfs/dbraw/zinc/53/78/39/643537839.db2.gz JLXXMXYSFLDXRC-MRXNPFEDSA-N 3 1 267.461 2.217 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@@H](O)CCc2ccccc2)[C@H]1C[NH3+] ZINC000923289893 643643221 /nfs/dbraw/zinc/64/32/21/643643221.db2.gz UQULMEQTBLMHFD-PVAVHDDUSA-N 2 1 276.424 2.039 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)CCc2ccccc2)[C@H]1C[NH3+] ZINC000923289893 643643225 /nfs/dbraw/zinc/64/32/25/643643225.db2.gz UQULMEQTBLMHFD-PVAVHDDUSA-N 2 1 276.424 2.039 20 0 CEADMP Cc1ccccc1OCC[N@H+](C)CCC[NH2+]C1CC1 ZINC000923301281 643649105 /nfs/dbraw/zinc/64/91/05/643649105.db2.gz FXWKGHWRUAMSGZ-UHFFFAOYSA-N 2 1 262.397 2.448 20 0 CEADMP Cc1ccccc1OCC[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923301281 643649109 /nfs/dbraw/zinc/64/91/09/643649109.db2.gz FXWKGHWRUAMSGZ-UHFFFAOYSA-N 2 1 262.397 2.448 20 0 CEADMP Fc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923303911 643651485 /nfs/dbraw/zinc/65/14/85/643651485.db2.gz LYBSCUUIJFLVHH-JKSUJKDBSA-N 2 1 290.382 2.341 20 0 CEADMP C[C@H]1c2ccc(F)cc2CC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923313292 643652869 /nfs/dbraw/zinc/65/28/69/643652869.db2.gz DFDJZELQUBFQFS-WFASDCNBSA-N 2 1 290.382 2.123 20 0 CEADMP CC(C)[NH+](CCC[NH2+]C[C@@H](O)c1ccccn1)C(C)C ZINC000853103028 643656726 /nfs/dbraw/zinc/65/67/26/643656726.db2.gz UMDRBRXDWAEJPZ-MRXNPFEDSA-N 2 1 279.428 2.214 20 0 CEADMP CC(C)[NH+](CCC[NH2+]C[C@H](O)c1ccccn1)C(C)C ZINC000853103027 643657288 /nfs/dbraw/zinc/65/72/88/643657288.db2.gz UMDRBRXDWAEJPZ-INIZCTEOSA-N 2 1 279.428 2.214 20 0 CEADMP c1csc([C@@H]2CCCC[N@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923323192 643662086 /nfs/dbraw/zinc/66/20/86/643662086.db2.gz FLMSUFSPSZIXAO-STQMWFEESA-N 2 1 293.436 2.049 20 0 CEADMP c1csc([C@@H]2CCCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923323192 643662090 /nfs/dbraw/zinc/66/20/90/643662090.db2.gz FLMSUFSPSZIXAO-STQMWFEESA-N 2 1 293.436 2.049 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000923350058 643673450 /nfs/dbraw/zinc/67/34/50/643673450.db2.gz ZCYHRNTZUMCUFN-LBPRGKRZSA-N 2 1 251.374 2.106 20 0 CEADMP N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000923353087 643678296 /nfs/dbraw/zinc/67/82/96/643678296.db2.gz ZTBQRJKHSOGMQR-CEXWTWQISA-N 2 1 296.414 2.017 20 0 CEADMP N[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000923353087 643678301 /nfs/dbraw/zinc/67/83/01/643678301.db2.gz ZTBQRJKHSOGMQR-CEXWTWQISA-N 2 1 296.414 2.017 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1F ZINC000923353244 643678411 /nfs/dbraw/zinc/67/84/11/643678411.db2.gz JBSZKVJGHCHQKM-SWLSCSKDSA-N 2 1 284.350 2.202 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(F)cc1F ZINC000923353244 643678413 /nfs/dbraw/zinc/67/84/13/643678413.db2.gz JBSZKVJGHCHQKM-SWLSCSKDSA-N 2 1 284.350 2.202 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000923363481 643679315 /nfs/dbraw/zinc/67/93/15/643679315.db2.gz ZJAQZRKAXDXWHF-BRWVUGGUSA-N 2 1 274.408 2.042 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCc2ccccc21 ZINC000923388551 643693651 /nfs/dbraw/zinc/69/36/51/643693651.db2.gz SBBORYXPVIWBII-GOEBONIOSA-N 2 1 286.419 2.027 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000923412632 643701315 /nfs/dbraw/zinc/70/13/15/643701315.db2.gz RXVWEWAGRNAVGG-CCKFTAQKSA-N 2 1 298.430 2.270 20 0 CEADMP Fc1cccc(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000923414367 643702184 /nfs/dbraw/zinc/70/21/84/643702184.db2.gz LVSFYKKLDNOSFC-GOEBONIOSA-N 2 1 262.372 2.442 20 0 CEADMP O[C@@H](CCc1ccccc1)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000923421810 643702921 /nfs/dbraw/zinc/70/29/21/643702921.db2.gz IGEMIQFYPRQURU-KRWDZBQOSA-N 2 1 288.435 2.198 20 0 CEADMP Fc1ccc(O[C@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)cc1 ZINC000923420829 643708898 /nfs/dbraw/zinc/70/88/98/643708898.db2.gz OAUUTBMHELDMJF-INIZCTEOSA-N 2 1 278.371 2.421 20 0 CEADMP Fc1ccc(O[C@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)cc1 ZINC000923420829 643708900 /nfs/dbraw/zinc/70/89/00/643708900.db2.gz OAUUTBMHELDMJF-INIZCTEOSA-N 2 1 278.371 2.421 20 0 CEADMP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001006084761 643715302 /nfs/dbraw/zinc/71/53/02/643715302.db2.gz UMJJSLYYUSIHPE-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487484 643729962 /nfs/dbraw/zinc/72/99/62/643729962.db2.gz DKPJQPXPOPYAMJ-GJZGRUSLSA-N 2 1 283.460 2.132 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479805 643730822 /nfs/dbraw/zinc/73/08/22/643730822.db2.gz STDXNQPQRSTPIV-GOEBONIOSA-N 2 1 289.423 2.383 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923480968 643731962 /nfs/dbraw/zinc/73/19/62/643731962.db2.gz NEVVGLPDJCFKEW-SWLSCSKDSA-N 2 1 266.360 2.184 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)CC[C@H]1C[NH3+] ZINC000923495708 643734419 /nfs/dbraw/zinc/73/44/19/643734419.db2.gz FELZLCYHMRYDAT-HOCLYGCPSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2cccc(F)c2)CC[C@@H]1C[NH3+] ZINC000923492357 643735896 /nfs/dbraw/zinc/73/58/96/643735896.db2.gz NNZKWKKJGHEKAS-TZMCWYRMSA-N 2 1 250.361 2.285 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)CO2)CC[C@H]1C[NH3+] ZINC000923494597 643738053 /nfs/dbraw/zinc/73/80/53/643738053.db2.gz ZALHDLXHPIMDIK-QLFBSQMISA-N 2 1 266.429 2.252 20 0 CEADMP C[C@@H]1C[N@H+](Cc2coc(C(C)(C)C)n2)CC[C@@H]1C[NH3+] ZINC000923494660 643738283 /nfs/dbraw/zinc/73/82/83/643738283.db2.gz ZNZOTKYSMFDPHR-VXGBXAGGSA-N 2 1 265.401 2.389 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2coc(C(C)(C)C)n2)CC[C@@H]1C[NH3+] ZINC000923494660 643738284 /nfs/dbraw/zinc/73/82/84/643738284.db2.gz ZNZOTKYSMFDPHR-VXGBXAGGSA-N 2 1 265.401 2.389 20 0 CEADMP C[C@@H]1C[N@@H+](CCOCc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923494869 643738794 /nfs/dbraw/zinc/73/87/94/643738794.db2.gz PUAKSUSXPCQNPI-GDBMZVCRSA-N 2 1 262.397 2.120 20 0 CEADMP Cc1cccc2nc(C[N@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cn21 ZINC000923497455 643739456 /nfs/dbraw/zinc/73/94/56/643739456.db2.gz FKZQAKVLJPGMNA-TZMCWYRMSA-N 2 1 272.396 2.059 20 0 CEADMP CCCCc1noc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923501416 643742106 /nfs/dbraw/zinc/74/21/06/643742106.db2.gz UDUSQJNBJWVGBU-AGIUHOORSA-N 2 1 280.416 2.390 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923504147 643742589 /nfs/dbraw/zinc/74/25/89/643742589.db2.gz OMOQYVRTWJRPBI-LSDHHAIUSA-N 2 1 292.423 2.381 20 0 CEADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923504688 643743601 /nfs/dbraw/zinc/74/36/01/643743601.db2.gz SUOSQNHDMMDIMJ-SOUVJXGZSA-N 2 1 289.423 2.239 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923519164 643748532 /nfs/dbraw/zinc/74/85/32/643748532.db2.gz BUZPOFDGRCUDOJ-JKSUJKDBSA-N 2 1 274.408 2.224 20 0 CEADMP OC[C@H]1CCCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000923529922 643751798 /nfs/dbraw/zinc/75/17/98/643751798.db2.gz DULZCYMNZFBJDS-MRXNPFEDSA-N 2 1 274.408 2.069 20 0 CEADMP Cc1csc(C[C@H]2CC[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)n1 ZINC000923552391 643759146 /nfs/dbraw/zinc/75/91/46/643759146.db2.gz XOBPRBCEUCSGQY-BNOWGMLFSA-N 2 1 279.453 2.171 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CC3Cc4ccccc4C3)CC[C@H]21 ZINC000877740606 650883713 /nfs/dbraw/zinc/88/37/13/650883713.db2.gz KKUBZTMMEQJWPJ-QZTJIDSGSA-N 2 1 270.420 2.427 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CC3Cc4ccccc4C3)CC[C@H]21 ZINC000877740606 650883716 /nfs/dbraw/zinc/88/37/16/650883716.db2.gz KKUBZTMMEQJWPJ-QZTJIDSGSA-N 2 1 270.420 2.427 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3Cc4ccccc4C3)CC[C@H]21 ZINC000877740606 650883718 /nfs/dbraw/zinc/88/37/18/650883718.db2.gz KKUBZTMMEQJWPJ-QZTJIDSGSA-N 2 1 270.420 2.427 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229673 644017591 /nfs/dbraw/zinc/01/75/91/644017591.db2.gz UISNLFNEJZKCFJ-RVMXOQNASA-N 2 1 274.355 2.050 20 0 CEADMP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000854232502 644018406 /nfs/dbraw/zinc/01/84/06/644018406.db2.gz RJDTZIPWENZDIS-MGPQQGTHSA-N 2 1 299.459 2.362 20 0 CEADMP O[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000838976861 644106675 /nfs/dbraw/zinc/10/66/75/644106675.db2.gz NDUMPWYASALTTR-MRXNPFEDSA-N 2 1 289.423 2.170 20 0 CEADMP C[C@@H](C[C@H](O)c1ccco1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000838984339 644109635 /nfs/dbraw/zinc/10/96/35/644109635.db2.gz IBLKDUCNKLTTLI-WFASDCNBSA-N 2 1 278.396 2.308 20 0 CEADMP c1ccc2c(c1)CCN2CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000754793311 644431683 /nfs/dbraw/zinc/43/16/83/644431683.db2.gz FQTLDADIDUQYMA-SJORKVTESA-N 2 1 285.435 2.266 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(C)nc1Cl ZINC000856769516 644715955 /nfs/dbraw/zinc/71/59/55/644715955.db2.gz QEKHCDIJVFBBTJ-SNVBAGLBSA-N 2 1 281.791 2.004 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCC3(O)CCC3)C2)CC1 ZINC000839592872 644750723 /nfs/dbraw/zinc/75/07/23/644750723.db2.gz XLHQZGOMAZKWSY-UHFFFAOYSA-N 2 1 266.429 2.099 20 0 CEADMP C[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000925491030 644803911 /nfs/dbraw/zinc/80/39/11/644803911.db2.gz IQRIYBLMDNOLLS-MAUKXSAKSA-N 2 1 299.462 2.307 20 0 CEADMP CC(C)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000757562150 644816851 /nfs/dbraw/zinc/81/68/51/644816851.db2.gz YMFGGWNZEHTOFD-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000757562150 644816864 /nfs/dbraw/zinc/81/68/64/644816864.db2.gz YMFGGWNZEHTOFD-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2-n2ccnc2)CC1(C)C ZINC000858094970 645058846 /nfs/dbraw/zinc/05/88/46/645058846.db2.gz LEPONTYUVPVGGF-HNNXBMFYSA-N 2 1 299.422 2.230 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2-n2ccnc2)CC1(C)C ZINC000858094970 645058849 /nfs/dbraw/zinc/05/88/49/645058849.db2.gz LEPONTYUVPVGGF-HNNXBMFYSA-N 2 1 299.422 2.230 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccnc(F)c2)CC1 ZINC000858093869 645059321 /nfs/dbraw/zinc/05/93/21/645059321.db2.gz JJHUVDPMASWLPK-UHFFFAOYSA-N 2 1 265.376 2.431 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@](C)(O)c2ccsc2)CC1(C)C ZINC000858142826 645073391 /nfs/dbraw/zinc/07/33/91/645073391.db2.gz NXDDUAMVEMTJIE-UKRRQHHQSA-N 2 1 282.453 2.418 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(O)c(F)c2)CC1(C)C ZINC000858143306 645074433 /nfs/dbraw/zinc/07/44/33/645074433.db2.gz JRDUKDFYFILMKJ-GFCCVEGCSA-N 2 1 266.360 2.494 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(O)c(F)c2)CC1(C)C ZINC000858143306 645074438 /nfs/dbraw/zinc/07/44/38/645074438.db2.gz JRDUKDFYFILMKJ-GFCCVEGCSA-N 2 1 266.360 2.494 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000858246102 645097659 /nfs/dbraw/zinc/09/76/59/645097659.db2.gz UUFBAACLKWNPNH-AWEZNQCLSA-N 2 1 272.396 2.384 20 0 CEADMP C[C@@H](CNc1cc[nH+]c(CO)c1)[N@H+]1CCc2ccccc2C1 ZINC000858342211 645125943 /nfs/dbraw/zinc/12/59/43/645125943.db2.gz RLQYKKMPWHUPDR-AWEZNQCLSA-N 2 1 297.402 2.433 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc[nH+]c(CO)c1 ZINC000858362678 645133407 /nfs/dbraw/zinc/13/34/07/645133407.db2.gz WUUTZBRQFFFNRF-HZSPNIEDSA-N 2 1 277.412 2.352 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000760900253 645209389 /nfs/dbraw/zinc/20/93/89/645209389.db2.gz VDDNQNNERNWEFN-MRXNPFEDSA-N 2 1 296.455 2.336 20 0 CEADMP Cc1nccn1CCC[N@H+](C)Cc1ccnc(F)c1 ZINC000859201069 645416008 /nfs/dbraw/zinc/41/60/08/645416008.db2.gz AAEBDQWBYIEFCK-UHFFFAOYSA-N 2 1 262.332 2.248 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccnc(F)c1 ZINC000859201069 645416021 /nfs/dbraw/zinc/41/60/21/645416021.db2.gz AAEBDQWBYIEFCK-UHFFFAOYSA-N 2 1 262.332 2.248 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccno2)cc1 ZINC000859213436 645422167 /nfs/dbraw/zinc/42/21/67/645422167.db2.gz VFSVRFYENAAHSF-UHFFFAOYSA-N 2 1 259.353 2.368 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccno2)cc1 ZINC000859213436 645422170 /nfs/dbraw/zinc/42/21/70/645422170.db2.gz VFSVRFYENAAHSF-UHFFFAOYSA-N 2 1 259.353 2.368 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H](OC)C2)C[C@@H]1C ZINC000878162692 651020408 /nfs/dbraw/zinc/02/04/08/651020408.db2.gz IAPDHMGYDOQMKX-ZQDZILKHSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2C[C@@H](OC)C2)C[C@@H]1C ZINC000878162692 651020410 /nfs/dbraw/zinc/02/04/10/651020410.db2.gz IAPDHMGYDOQMKX-ZQDZILKHSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H](OC)C2)C[C@@H]1C ZINC000878162692 651020413 /nfs/dbraw/zinc/02/04/13/651020413.db2.gz IAPDHMGYDOQMKX-ZQDZILKHSA-N 2 1 254.418 2.216 20 0 CEADMP O=C1O[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC12CC2 ZINC000763685823 645565842 /nfs/dbraw/zinc/56/58/42/645565842.db2.gz HQKKIAXNLDRIHG-CABCVRRESA-N 2 1 292.423 2.032 20 0 CEADMP O=C1O[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC12CC2 ZINC000763685823 645565845 /nfs/dbraw/zinc/56/58/45/645565845.db2.gz HQKKIAXNLDRIHG-CABCVRRESA-N 2 1 292.423 2.032 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC000878287414 651054346 /nfs/dbraw/zinc/05/43/46/651054346.db2.gz BFGCDXUFQMCEHL-OAHLLOKOSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CC2(CCC2)CO1 ZINC000878287414 651054347 /nfs/dbraw/zinc/05/43/47/651054347.db2.gz BFGCDXUFQMCEHL-OAHLLOKOSA-N 2 1 277.412 2.473 20 0 CEADMP CC(C)[C@H](O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878287111 651053653 /nfs/dbraw/zinc/05/36/53/651053653.db2.gz WUHNFDGEOTVZGB-DJIMGWMZSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@H](O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878287111 651053654 /nfs/dbraw/zinc/05/36/54/651053654.db2.gz WUHNFDGEOTVZGB-DJIMGWMZSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@H](O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878287111 651053655 /nfs/dbraw/zinc/05/36/55/651053655.db2.gz WUHNFDGEOTVZGB-DJIMGWMZSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@H](O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878287111 651053657 /nfs/dbraw/zinc/05/36/57/651053657.db2.gz WUHNFDGEOTVZGB-DJIMGWMZSA-N 2 1 280.456 2.342 20 0 CEADMP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000767351926 645979475 /nfs/dbraw/zinc/97/94/75/645979475.db2.gz ASKZBVGUNUQSOQ-XDNAFOTISA-N 2 1 286.419 2.243 20 0 CEADMP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000767351926 645979479 /nfs/dbraw/zinc/97/94/79/645979479.db2.gz ASKZBVGUNUQSOQ-XDNAFOTISA-N 2 1 286.419 2.243 20 0 CEADMP CCOC(CN(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)OCC ZINC000767792329 646040493 /nfs/dbraw/zinc/04/04/93/646040493.db2.gz LLVXIXVGGSXAIR-KGLIPLIRSA-N 2 1 272.433 2.190 20 0 CEADMP CCOC(C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1)OCC ZINC000767792329 646040501 /nfs/dbraw/zinc/04/05/01/646040501.db2.gz LLVXIXVGGSXAIR-KGLIPLIRSA-N 2 1 272.433 2.190 20 0 CEADMP CCOC(C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1)OCC ZINC000767792329 646040507 /nfs/dbraw/zinc/04/05/07/646040507.db2.gz LLVXIXVGGSXAIR-KGLIPLIRSA-N 2 1 272.433 2.190 20 0 CEADMP CCOC(C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1)OCC ZINC000767792329 646040510 /nfs/dbraw/zinc/04/05/10/646040510.db2.gz LLVXIXVGGSXAIR-KGLIPLIRSA-N 2 1 272.433 2.190 20 0 CEADMP CCOC(C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)OCC ZINC000767792329 646040516 /nfs/dbraw/zinc/04/05/16/646040516.db2.gz LLVXIXVGGSXAIR-KGLIPLIRSA-N 2 1 272.433 2.190 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000864067092 646882022 /nfs/dbraw/zinc/88/20/22/646882022.db2.gz FVUWDCSCFPAAPH-ZIAGYGMSSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1CCN(C(=[NH2+])NC[C@H]2CCCC[N@H+]2CC)C1 ZINC000864458850 647013810 /nfs/dbraw/zinc/01/38/10/647013810.db2.gz URYGLMBZMQHXFS-ZIAGYGMSSA-N 2 1 266.433 2.117 20 0 CEADMP CCCCC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000776023878 647016543 /nfs/dbraw/zinc/01/65/43/647016543.db2.gz RGBFUCRBMDMGGH-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865451096 647299224 /nfs/dbraw/zinc/29/92/24/647299224.db2.gz IVZSLIWQMYXASI-JEYLPNPQSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000779406177 647320170 /nfs/dbraw/zinc/32/01/70/647320170.db2.gz UYFVCMBGNRYYJM-NFAWXSAZSA-N 2 1 282.453 2.492 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000779406177 647320172 /nfs/dbraw/zinc/32/01/72/647320172.db2.gz UYFVCMBGNRYYJM-NFAWXSAZSA-N 2 1 282.453 2.492 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000865730686 647442930 /nfs/dbraw/zinc/44/29/30/647442930.db2.gz XZSDZLRKUHMTTJ-UHFFFAOYSA-N 2 1 297.284 2.150 20 0 CEADMP CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865806186 647471342 /nfs/dbraw/zinc/47/13/42/647471342.db2.gz NDPBGPZCXWSEGG-RYRKJORJSA-N 2 1 285.435 2.390 20 0 CEADMP CC[N@@H+](C[C@H](O)CN1CCCC1)[C@H]1CCCC[C@@H]1C ZINC000781925384 647572783 /nfs/dbraw/zinc/57/27/83/647572783.db2.gz TUJZVNINHNEESD-XHSDSOJGSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCC[C@@H]1C ZINC000781925384 647572786 /nfs/dbraw/zinc/57/27/86/647572786.db2.gz TUJZVNINHNEESD-XHSDSOJGSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCC[C@@H]1C ZINC000781925384 647572788 /nfs/dbraw/zinc/57/27/88/647572788.db2.gz TUJZVNINHNEESD-XHSDSOJGSA-N 2 1 268.445 2.344 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)C1 ZINC000866263137 647702759 /nfs/dbraw/zinc/70/27/59/647702759.db2.gz NAMLFFMDXZMTRT-KBMXLJTQSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H](CCc1cccnc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000866313459 647732809 /nfs/dbraw/zinc/73/28/09/647732809.db2.gz BBPWDAQUECXDCX-CQSZACIVSA-N 2 1 259.397 2.254 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCc2cn(C)c3ncccc23)CC[N@H+]1C ZINC000866570413 647828928 /nfs/dbraw/zinc/82/89/28/647828928.db2.gz GUKAACWONMQIIM-ZFWWWQNUSA-N 2 1 286.423 2.188 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(C3CC(OC(C)(C)C)C3)CC[C@H]21 ZINC000866585142 647832700 /nfs/dbraw/zinc/83/27/00/647832700.db2.gz OPPYNSTTYQYLNN-XSCHDIRWSA-N 2 1 266.429 2.359 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703496 647875698 /nfs/dbraw/zinc/87/56/98/647875698.db2.gz IDNGJCPROHSFEZ-YOEHRIQHSA-N 2 1 297.487 2.378 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866706341 647876397 /nfs/dbraw/zinc/87/63/97/647876397.db2.gz ODWDLWCXNBICBD-INIZCTEOSA-N 2 1 278.444 2.197 20 0 CEADMP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705360 647876628 /nfs/dbraw/zinc/87/66/28/647876628.db2.gz YLUCMUMPUGIRGB-GUYCJALGSA-N 2 1 295.471 2.131 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)nc(C)n1 ZINC000866706573 647877791 /nfs/dbraw/zinc/87/77/91/647877791.db2.gz IQXCMKXKFHWPJD-MRXNPFEDSA-N 2 1 276.428 2.290 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000866707837 647877803 /nfs/dbraw/zinc/87/78/03/647877803.db2.gz XCZCTKPPFILJRI-LBPRGKRZSA-N 2 1 282.350 2.262 20 0 CEADMP CCO[C@@H](C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1)C1CC1 ZINC000866709542 647878458 /nfs/dbraw/zinc/87/84/58/647878458.db2.gz RZEASBGVZJKLGZ-GOEBONIOSA-N 2 1 268.445 2.498 20 0 CEADMP C[C@H](c1cnccn1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709726 647879095 /nfs/dbraw/zinc/87/90/95/647879095.db2.gz ZMVYAVVAEJUFEH-IUODEOHRSA-N 2 1 262.401 2.235 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000785427213 647928228 /nfs/dbraw/zinc/92/82/28/647928228.db2.gz NSSBZFATMNJHBW-KBPBESRZSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000785427213 647928230 /nfs/dbraw/zinc/92/82/30/647928230.db2.gz NSSBZFATMNJHBW-KBPBESRZSA-N 2 1 263.360 2.246 20 0 CEADMP O=C(OCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786893466 648053456 /nfs/dbraw/zinc/05/34/56/648053456.db2.gz WCQKYMXYHMIETH-INIZCTEOSA-N 2 1 294.439 2.423 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871357401 649070294 /nfs/dbraw/zinc/07/02/94/649070294.db2.gz IDMWBHCLGCRPDQ-CKDBGZEDSA-N 2 1 295.471 2.240 20 0 CEADMP [NH3+]C1(c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)CC2(CCC2)C1 ZINC000871800706 649190795 /nfs/dbraw/zinc/19/07/95/649190795.db2.gz QUSFBPFYIYJITI-YOGCLGLASA-N 2 1 288.395 2.186 20 0 CEADMP CC(C)(C)[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)CCO1 ZINC000872028688 649246037 /nfs/dbraw/zinc/24/60/37/649246037.db2.gz SAFNATIKKFEKLY-GDBMZVCRSA-N 2 1 298.471 2.017 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)[C@@H]1CCCOC1 ZINC000872035802 649249022 /nfs/dbraw/zinc/24/90/22/649249022.db2.gz NLHCCDMREPCSLG-IKGGRYGDSA-N 2 1 298.471 2.018 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000872126074 649285184 /nfs/dbraw/zinc/28/51/84/649285184.db2.gz JQQBBFZYJWDMAW-DKIMLUQUSA-N 2 1 288.435 2.258 20 0 CEADMP CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000872128070 649286391 /nfs/dbraw/zinc/28/63/91/649286391.db2.gz BKTSXQBMFBZXOC-MQMHXKEQSA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@@](C)(C[NH3+])C(C)C)ccc1C ZINC000872141601 649290665 /nfs/dbraw/zinc/29/06/65/649290665.db2.gz LJHFOSCSVFCLAE-INIZCTEOSA-N 2 1 278.396 2.245 20 0 CEADMP Cc1ccc2c(ccc(C)c2C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000872143836 649294074 /nfs/dbraw/zinc/29/40/74/649294074.db2.gz XYVIFBSLJAYVMW-HNNXBMFYSA-N 2 1 272.392 2.208 20 0 CEADMP Cc1ccsc1CNC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872155195 649298311 /nfs/dbraw/zinc/29/83/11/649298311.db2.gz GUWQVNRKOYSGQX-UHFFFAOYSA-N 2 1 297.468 2.124 20 0 CEADMP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+](C)CCCCCC[NH3+] ZINC000872154812 649298439 /nfs/dbraw/zinc/29/84/39/649298439.db2.gz BEMUVGZJGWBRIU-OAHLLOKOSA-N 2 1 283.460 2.084 20 0 CEADMP CCCNC(=O)C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158166 649300609 /nfs/dbraw/zinc/30/06/09/649300609.db2.gz YOQBNGXIUOMFCA-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000872219379 649320224 /nfs/dbraw/zinc/32/02/24/649320224.db2.gz ZBABOYFERWQXQJ-OLMNPRSZSA-N 2 1 288.435 2.115 20 0 CEADMP CCC(CC)(C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(F)(F)F ZINC000872225412 649321981 /nfs/dbraw/zinc/32/19/81/649321981.db2.gz AHEXRVUKDZUAOT-GFCCVEGCSA-N 2 1 296.377 2.400 20 0 CEADMP CCC(CC)(C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(F)(F)F ZINC000872225412 649321984 /nfs/dbraw/zinc/32/19/84/649321984.db2.gz AHEXRVUKDZUAOT-GFCCVEGCSA-N 2 1 296.377 2.400 20 0 CEADMP Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872252084 649328715 /nfs/dbraw/zinc/32/87/15/649328715.db2.gz ORJJZOQOXNSOEL-NSHDSACASA-N 2 1 284.835 2.250 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)Nc1cc(NCc2ccccc2)[nH+]cn1 ZINC000872777395 649484504 /nfs/dbraw/zinc/48/45/04/649484504.db2.gz ZCDBYCNMVPXVGG-NEPJUHHUSA-N 2 1 271.368 2.236 20 0 CEADMP COCC(C)(C)CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000873153049 649571880 /nfs/dbraw/zinc/57/18/80/649571880.db2.gz VQGDRSVGEWNBHG-UHFFFAOYSA-N 2 1 265.401 2.300 20 0 CEADMP c1c(C[N@H+]2C[C@@H]3C[C@H]2CS3)sc2c1C[NH2+]CC2 ZINC000873213724 649592523 /nfs/dbraw/zinc/59/25/23/649592523.db2.gz OAVZUNQMXAXURN-QWRGUYRKSA-N 2 1 266.435 2.084 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3CSC[C@H]3C2)CC[NH2+]1 ZINC000873221410 649596267 /nfs/dbraw/zinc/59/62/67/649596267.db2.gz JLZSNSUCMWNXNE-YIYPIFLZSA-N 2 1 254.443 2.059 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000873223176 649597179 /nfs/dbraw/zinc/59/71/79/649597179.db2.gz INIIZBBKTTYFFN-OAHLLOKOSA-N 2 1 295.452 2.044 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000873223176 649597183 /nfs/dbraw/zinc/59/71/83/649597183.db2.gz INIIZBBKTTYFFN-OAHLLOKOSA-N 2 1 295.452 2.044 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000873228323 649599445 /nfs/dbraw/zinc/59/94/45/649599445.db2.gz CRKLQGJTLPXGEH-KBPBESRZSA-N 2 1 270.417 2.025 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1cnc2ccccn12 ZINC000873231310 649602436 /nfs/dbraw/zinc/60/24/36/649602436.db2.gz FBUIKYZNKGCBPP-UHFFFAOYSA-N 2 1 260.385 2.285 20 0 CEADMP Cc1cc(C)n2c(C[N@@H+](C)CCCCCC[NH3+])cnc2n1 ZINC000873231229 649602865 /nfs/dbraw/zinc/60/28/65/649602865.db2.gz AMTVUVYBHVWTCD-UHFFFAOYSA-N 2 1 289.427 2.297 20 0 CEADMP CC1(C)CC[C@@H](C[NH2+][C@@H]2CCC23CCOCC3)[NH2+]C1 ZINC000873236760 649604745 /nfs/dbraw/zinc/60/47/45/649604745.db2.gz JNCWDQBPLAWFGG-UONOGXRCSA-N 2 1 266.429 2.313 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873236702 649604974 /nfs/dbraw/zinc/60/49/74/649604974.db2.gz IPZBOSRNLWFPJP-GJZGRUSLSA-N 2 1 278.444 2.276 20 0 CEADMP CC[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(OC)c1OC ZINC000873248126 649608005 /nfs/dbraw/zinc/60/80/05/649608005.db2.gz AABDONOUWQDVSU-SMDDNHRTSA-N 2 1 278.396 2.352 20 0 CEADMP CC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(OC)c1OC ZINC000873248125 649608150 /nfs/dbraw/zinc/60/81/50/649608150.db2.gz AABDONOUWQDVSU-RISCZKNCSA-N 2 1 278.396 2.352 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@@H]1CCCC[NH2+]1 ZINC000873281669 649623726 /nfs/dbraw/zinc/62/37/26/649623726.db2.gz OIXKICCCDWHROZ-YTFOTSKYSA-N 2 1 252.402 2.064 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc(N)cc(F)c1 ZINC000873290536 649628994 /nfs/dbraw/zinc/62/89/94/649628994.db2.gz REZVGXDGPINMER-SJCJKPOMSA-N 2 1 287.382 2.456 20 0 CEADMP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)nc1 ZINC000873296272 649631836 /nfs/dbraw/zinc/63/18/36/649631836.db2.gz DWYIORYLDARKRM-IUCAKERBSA-N 2 1 273.302 2.359 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873296404 649631900 /nfs/dbraw/zinc/63/19/00/649631900.db2.gz YZQISHRSOCQVCM-HOJRLLLISA-N 2 1 259.397 2.217 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CC2(CCC2)CO1 ZINC000878550466 651127822 /nfs/dbraw/zinc/12/78/22/651127822.db2.gz WIGGWIUHFDPMES-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CC2(CCC2)CO1 ZINC000878550466 651127824 /nfs/dbraw/zinc/12/78/24/651127824.db2.gz WIGGWIUHFDPMES-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCSC(C)(C)C)C1 ZINC000878865067 651200427 /nfs/dbraw/zinc/20/04/27/651200427.db2.gz DTVONSQSXGNFFE-OAHLLOKOSA-N 2 1 288.501 2.297 20 0 CEADMP CC(=O)c1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)on1 ZINC000879250841 651270568 /nfs/dbraw/zinc/27/05/68/651270568.db2.gz JVRPPPIVIJFXKB-UHFFFAOYSA-N 2 1 291.395 2.185 20 0 CEADMP Cc1ncsc1CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573057 651324625 /nfs/dbraw/zinc/32/46/25/651324625.db2.gz LKFHQUCVMAVLLM-STQMWFEESA-N 2 1 265.426 2.020 20 0 CEADMP Cc1ncsc1CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573057 651324626 /nfs/dbraw/zinc/32/46/26/651324626.db2.gz LKFHQUCVMAVLLM-STQMWFEESA-N 2 1 265.426 2.020 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573057 651324627 /nfs/dbraw/zinc/32/46/27/651324627.db2.gz LKFHQUCVMAVLLM-STQMWFEESA-N 2 1 265.426 2.020 20 0 CEADMP Cc1ncsc1CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573057 651324628 /nfs/dbraw/zinc/32/46/28/651324628.db2.gz LKFHQUCVMAVLLM-STQMWFEESA-N 2 1 265.426 2.020 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000879573710 651324733 /nfs/dbraw/zinc/32/47/33/651324733.db2.gz QAEJRTSMJZUFIC-IAGOWNOFSA-N 2 1 286.419 2.190 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000879573710 651324735 /nfs/dbraw/zinc/32/47/35/651324735.db2.gz QAEJRTSMJZUFIC-IAGOWNOFSA-N 2 1 286.419 2.190 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000879573710 651324736 /nfs/dbraw/zinc/32/47/36/651324736.db2.gz QAEJRTSMJZUFIC-IAGOWNOFSA-N 2 1 286.419 2.190 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOc3cccc(F)c3)CC[C@H]21 ZINC000879573524 651324752 /nfs/dbraw/zinc/32/47/52/651324752.db2.gz YIBKHKRSAVLGTK-CZUORRHYSA-N 2 1 278.371 2.231 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCOc3cccc(F)c3)CC[C@H]21 ZINC000879573524 651324754 /nfs/dbraw/zinc/32/47/54/651324754.db2.gz YIBKHKRSAVLGTK-CZUORRHYSA-N 2 1 278.371 2.231 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCOc3cccc(F)c3)CC[C@H]21 ZINC000879573524 651324756 /nfs/dbraw/zinc/32/47/56/651324756.db2.gz YIBKHKRSAVLGTK-CZUORRHYSA-N 2 1 278.371 2.231 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3cccc(F)c3)CC[C@H]21 ZINC000879573524 651324758 /nfs/dbraw/zinc/32/47/58/651324758.db2.gz YIBKHKRSAVLGTK-CZUORRHYSA-N 2 1 278.371 2.231 20 0 CEADMP Cc1nsc(C)c1CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879581103 651326181 /nfs/dbraw/zinc/32/61/81/651326181.db2.gz WIZPIKTUJNCWLC-JSGCOSHPSA-N 2 1 265.426 2.286 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CC[C@@H](O)c3ccccc3)CC[C@@H]21 ZINC000879583077 651327190 /nfs/dbraw/zinc/32/71/90/651327190.db2.gz VNUOIBJIOHDUEC-YESZJQIVSA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CC[C@@H](O)c3ccccc3)CC[C@@H]21 ZINC000879583077 651327191 /nfs/dbraw/zinc/32/71/91/651327191.db2.gz VNUOIBJIOHDUEC-YESZJQIVSA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CC[C@@H](O)c3ccccc3)CC[C@@H]21 ZINC000879583077 651327192 /nfs/dbraw/zinc/32/71/92/651327192.db2.gz VNUOIBJIOHDUEC-YESZJQIVSA-N 2 1 274.408 2.136 20 0 CEADMP CC(C)C[N@@H+](C[C@@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000879701795 651341105 /nfs/dbraw/zinc/34/11/05/651341105.db2.gz AUNDCTXDYCCPNI-INIZCTEOSA-N 2 1 268.445 2.323 20 0 CEADMP CC(C)C[N@@H+](CCCC(=O)N(C)C)CC1CC[NH+](C)CC1 ZINC000879703749 651341436 /nfs/dbraw/zinc/34/14/36/651341436.db2.gz VZGDHQVJHBPHLZ-UHFFFAOYSA-N 2 1 297.487 2.155 20 0 CEADMP CCOCC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879951746 651364350 /nfs/dbraw/zinc/36/43/50/651364350.db2.gz PICUNBLXKCWHTK-MRXNPFEDSA-N 2 1 298.471 2.114 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000880138183 651390312 /nfs/dbraw/zinc/39/03/12/651390312.db2.gz RUXDHIQLPCUNHO-JKSUJKDBSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000880138183 651390314 /nfs/dbraw/zinc/39/03/14/651390314.db2.gz RUXDHIQLPCUNHO-JKSUJKDBSA-N 2 1 276.428 2.140 20 0 CEADMP COC(=O)[C@]12CCC[C@H]1[N@@H+](CC[C@H]1CCCC[NH+]1C)CC2 ZINC000880180186 651396289 /nfs/dbraw/zinc/39/62/89/651396289.db2.gz FPRGLRDCXGIMQA-INMHGKMJSA-N 2 1 294.439 2.278 20 0 CEADMP COC(=O)[C@]12CCC[C@H]1[NH+](CC[C@H]1CCCC[N@@H+]1C)CC2 ZINC000880180186 651396291 /nfs/dbraw/zinc/39/62/91/651396291.db2.gz FPRGLRDCXGIMQA-INMHGKMJSA-N 2 1 294.439 2.278 20 0 CEADMP COC(=O)[C@]12CCC[C@H]1[NH+](CC[C@H]1CCCC[N@H+]1C)CC2 ZINC000880180186 651396293 /nfs/dbraw/zinc/39/62/93/651396293.db2.gz FPRGLRDCXGIMQA-INMHGKMJSA-N 2 1 294.439 2.278 20 0 CEADMP CC[C@H](C)C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203882 651400863 /nfs/dbraw/zinc/40/08/63/651400863.db2.gz OWUPLZZKYFDGRG-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H](C)C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203882 651400865 /nfs/dbraw/zinc/40/08/65/651400865.db2.gz OWUPLZZKYFDGRG-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCO1 ZINC000880205550 651401190 /nfs/dbraw/zinc/40/11/90/651401190.db2.gz SEODZSJECCIJGI-HLLBOEOZSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCO1 ZINC000880205550 651401192 /nfs/dbraw/zinc/40/11/92/651401192.db2.gz SEODZSJECCIJGI-HLLBOEOZSA-N 2 1 296.455 2.035 20 0 CEADMP Cc1cncc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC000880258816 651411290 /nfs/dbraw/zinc/41/12/90/651411290.db2.gz CQGFFYMEPSTELO-HNNXBMFYSA-N 2 1 282.391 2.496 20 0 CEADMP Cc1cncc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC000880258816 651411291 /nfs/dbraw/zinc/41/12/91/651411291.db2.gz CQGFFYMEPSTELO-HNNXBMFYSA-N 2 1 282.391 2.496 20 0 CEADMP CCO[C@@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C1CC1 ZINC000880259144 651411520 /nfs/dbraw/zinc/41/15/20/651411520.db2.gz NHALJQGGKNRACP-YOEHRIQHSA-N 2 1 289.423 2.407 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880259578 651411748 /nfs/dbraw/zinc/41/17/48/651411748.db2.gz WLCDSWAMLKXZRM-QAPCUYQASA-N 2 1 297.402 2.326 20 0 CEADMP COCC[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880263501 651412766 /nfs/dbraw/zinc/41/27/66/651412766.db2.gz YNQWHQYNHUDIFA-UONOGXRCSA-N 2 1 263.385 2.017 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2nccs2)C1 ZINC000880319112 651424255 /nfs/dbraw/zinc/42/42/55/651424255.db2.gz AZJZVBBMWSEKNP-OLZOCXBDSA-N 2 1 265.426 2.417 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319112 651424256 /nfs/dbraw/zinc/42/42/56/651424256.db2.gz AZJZVBBMWSEKNP-OLZOCXBDSA-N 2 1 265.426 2.417 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319112 651424257 /nfs/dbraw/zinc/42/42/57/651424257.db2.gz AZJZVBBMWSEKNP-OLZOCXBDSA-N 2 1 265.426 2.417 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000880473344 651447268 /nfs/dbraw/zinc/44/72/68/651447268.db2.gz COXRZYCCZBLXIU-UHFFFAOYSA-N 2 1 289.423 2.459 20 0 CEADMP CN(C)c1cc[nH+]c(N(C)CCCC[NH+]2CCCCC2)n1 ZINC000882986673 652305766 /nfs/dbraw/zinc/30/57/66/652305766.db2.gz GDFCWQDYYWONQC-UHFFFAOYSA-N 2 1 291.443 2.245 20 0 CEADMP C=C/C=C\CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000883040875 652340839 /nfs/dbraw/zinc/34/08/39/652340839.db2.gz QSJKVFMLKZZXIP-OAWCYKKTSA-N 2 1 263.385 2.490 20 0 CEADMP C=C/C=C\CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000883040875 652340845 /nfs/dbraw/zinc/34/08/45/652340845.db2.gz QSJKVFMLKZZXIP-OAWCYKKTSA-N 2 1 263.385 2.490 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883171578 652388621 /nfs/dbraw/zinc/38/86/21/652388621.db2.gz CGCLSXBTYNIMQG-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCC3(CC3)C2)CC1(C)C ZINC000883220398 652403998 /nfs/dbraw/zinc/40/39/98/652403998.db2.gz JEPOAEGGCJLAPJ-HNNXBMFYSA-N 2 1 279.472 2.325 20 0 CEADMP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)OC1 ZINC000883249192 652414495 /nfs/dbraw/zinc/41/44/95/652414495.db2.gz XEYOYYKGSBBNGG-CVEARBPZSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCOCC3)CO2)CC[N@H+]1C ZINC000883262799 652418273 /nfs/dbraw/zinc/41/82/73/652418273.db2.gz UVTDFWMMUSOEOL-BZUAXINKSA-N 2 1 296.455 2.035 20 0 CEADMP C1OCC12CCC([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000883379687 652449465 /nfs/dbraw/zinc/44/94/65/652449465.db2.gz KRLCRJWWMHMKFG-LSDHHAIUSA-N 2 1 264.413 2.162 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCC3(COC3)CC2)CC[N@@H+]1C ZINC000883379051 652449785 /nfs/dbraw/zinc/44/97/85/652449785.db2.gz KZNRFQPRBUGPJW-JSGCOSHPSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCC3(COC3)CC2)CC[N@H+]1C ZINC000883379051 652449788 /nfs/dbraw/zinc/44/97/88/652449788.db2.gz KZNRFQPRBUGPJW-JSGCOSHPSA-N 2 1 252.402 2.018 20 0 CEADMP FC1(F)CCC[C@@H]1CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000883425518 652465766 /nfs/dbraw/zinc/46/57/66/652465766.db2.gz WLURLGQLYFAKDV-CHWSQXEVSA-N 2 1 258.356 2.497 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H]1CCC2(CCOCC2)CO1 ZINC000883427911 652466025 /nfs/dbraw/zinc/46/60/25/652466025.db2.gz GIABIYJWODZBQU-HZPDHXFCSA-N 2 1 296.455 2.166 20 0 CEADMP FC(F)(F)OCCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000883430254 652467061 /nfs/dbraw/zinc/46/70/61/652467061.db2.gz QLBXSIDBZOMHJW-NWDGAFQWSA-N 2 1 280.334 2.377 20 0 CEADMP C[N@@H+](C[C@H]1CC[C@@H](c2ccccc2)O1)C1CC([NH3+])C1 ZINC000883429528 652467201 /nfs/dbraw/zinc/46/72/01/652467201.db2.gz YAGOOLFGTVOVBN-FJBKBRRZSA-N 2 1 260.381 2.328 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000883430064 652467252 /nfs/dbraw/zinc/46/72/52/652467252.db2.gz MLGLJXSKRLMSJH-MQYQWHSLSA-N 2 1 254.418 2.310 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H]1CCC2(CCC2)O1 ZINC000883434980 652469101 /nfs/dbraw/zinc/46/91/01/652469101.db2.gz GYHNSEWRJCLIBV-SLTAFYQDSA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1CCC2(CCC2)O1 ZINC000883434980 652469103 /nfs/dbraw/zinc/46/91/03/652469103.db2.gz GYHNSEWRJCLIBV-SLTAFYQDSA-N 2 1 264.413 2.291 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C(C)(C)O1 ZINC000883437225 652469740 /nfs/dbraw/zinc/46/97/40/652469740.db2.gz MXWCWWZAVBANJJ-ZENOOKHLSA-N 2 1 266.429 2.393 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883437696 652469764 /nfs/dbraw/zinc/46/97/64/652469764.db2.gz YNXOLYNWAQKFHN-DLBZAZTESA-N 2 1 292.423 2.075 20 0 CEADMP c1cc(C[N@@H+]2CC[NH2+]CCC23CCC3)c2c(c1)C[NH2+]CC2 ZINC000883459830 652477315 /nfs/dbraw/zinc/47/73/15/652477315.db2.gz IIQUJNPQYZTZSQ-UHFFFAOYSA-N 3 1 285.435 2.050 20 0 CEADMP c1cc(C[N@H+]2CC[NH2+]CCC23CCC3)c2c(c1)C[NH2+]CC2 ZINC000883459830 652477318 /nfs/dbraw/zinc/47/73/18/652477318.db2.gz IIQUJNPQYZTZSQ-UHFFFAOYSA-N 2 1 285.435 2.050 20 0 CEADMP C[NH2+]CCC[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000883461801 652478267 /nfs/dbraw/zinc/47/82/67/652478267.db2.gz DKJIUACYRSQUST-OAHLLOKOSA-N 2 1 259.397 2.081 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1c2ccccc2NC1(C)C ZINC000883464049 652478518 /nfs/dbraw/zinc/47/85/18/652478518.db2.gz DIWUBMOIGGIIDV-HNNXBMFYSA-N 2 1 270.380 2.498 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC[N@H+]1C ZINC000132205839 652504932 /nfs/dbraw/zinc/50/49/32/652504932.db2.gz KQVAHEBJZALPLB-AVRGHOLYSA-N 2 1 259.397 2.204 20 0 CEADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925482469 652712777 /nfs/dbraw/zinc/71/27/77/652712777.db2.gz MQDBFWBBIXIBKD-SJORKVTESA-N 2 1 281.488 2.476 20 0 CEADMP CC[NH2+][C@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001088330240 806120397 /nfs/dbraw/zinc/12/03/97/806120397.db2.gz SUUFZUBJNOOKGW-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001088336911 806134246 /nfs/dbraw/zinc/13/42/46/806134246.db2.gz PGLPBSKUZHEGRK-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001088336309 806133465 /nfs/dbraw/zinc/13/34/65/806133465.db2.gz ARRAYJPGADLXAB-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC001168091997 806139018 /nfs/dbraw/zinc/13/90/18/806139018.db2.gz DOOXQFRGPCODPC-MCIONIFRSA-N 2 1 254.418 2.406 20 0 CEADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC001168091997 806139022 /nfs/dbraw/zinc/13/90/22/806139022.db2.gz DOOXQFRGPCODPC-MCIONIFRSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001168093176 806148879 /nfs/dbraw/zinc/14/88/79/806148879.db2.gz UOPKQQQVZOVUEJ-YYFQZIEXSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001168093176 806148884 /nfs/dbraw/zinc/14/88/84/806148884.db2.gz UOPKQQQVZOVUEJ-YYFQZIEXSA-N 2 1 252.402 2.159 20 0 CEADMP CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001088381274 806173338 /nfs/dbraw/zinc/17/33/38/806173338.db2.gz ATNCYBNJFGZULU-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CCC(C)(C)C ZINC001088495055 806314831 /nfs/dbraw/zinc/31/48/31/806314831.db2.gz YPFHNPBAQOCPCS-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCC(C)(C)C ZINC001088495055 806314840 /nfs/dbraw/zinc/31/48/40/806314840.db2.gz YPFHNPBAQOCPCS-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CCC(C)(C)C ZINC001088495055 806314848 /nfs/dbraw/zinc/31/48/48/806314848.db2.gz YPFHNPBAQOCPCS-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP Nc1ccc(N2CCC([NH3+])(CC3CCC3)CC2)[nH+]c1 ZINC001161569961 806537714 /nfs/dbraw/zinc/53/77/14/806537714.db2.gz RSZIPVHRNPLRDH-UHFFFAOYSA-N 2 1 260.385 2.152 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](N3CCCC3)C2)CC1 ZINC001168324484 806654013 /nfs/dbraw/zinc/65/40/13/806654013.db2.gz PPMBQRZUGUOKQX-UYSNPLJNSA-N 2 1 265.445 2.029 20 0 CEADMP COc1cc(F)cc(C[NH2+]CC[C@H](C)[NH+](C)C)c1 ZINC000697830035 806701187 /nfs/dbraw/zinc/70/11/87/806701187.db2.gz RVYZBOPKCKFPID-NSHDSACASA-N 2 1 254.349 2.264 20 0 CEADMP C[C@@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)CC[C@]1(C)O ZINC001168373702 806975119 /nfs/dbraw/zinc/97/51/19/806975119.db2.gz SUQWVEZEZFGDEN-PBHICJAKSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC(C)(CN2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001208113776 802342963 /nfs/dbraw/zinc/34/29/63/802342963.db2.gz ONMIBAZRALUKEJ-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP Oc1ccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c(O)c1 ZINC000093865755 806980045 /nfs/dbraw/zinc/98/00/45/806980045.db2.gz WKTDWXWVBFQKJP-HNNXBMFYSA-N 2 1 286.331 2.146 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H](COCC3CC3)C2)C1 ZINC001208614997 802391502 /nfs/dbraw/zinc/39/15/02/802391502.db2.gz GSECQBWVONEOPX-JKSUJKDBSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H](COCC3CC3)C2)C1 ZINC001208614997 802391512 /nfs/dbraw/zinc/39/15/12/802391512.db2.gz GSECQBWVONEOPX-JKSUJKDBSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H](COCC3CC3)C2)C1 ZINC001208614997 802391523 /nfs/dbraw/zinc/39/15/23/802391523.db2.gz GSECQBWVONEOPX-JKSUJKDBSA-N 2 1 266.429 2.077 20 0 CEADMP C[N@@H+](C[C@H]1Cc2ccccc2O1)C[C@H]1CCC[NH+](C)C1 ZINC001208615190 802392590 /nfs/dbraw/zinc/39/25/90/802392590.db2.gz SGELLRDBBYAZDH-GOEBONIOSA-N 2 1 274.408 2.264 20 0 CEADMP C[NH+](C[C@H]1Cc2ccccc2O1)C[C@H]1CCC[N@H+](C)C1 ZINC001208615190 802392597 /nfs/dbraw/zinc/39/25/97/802392597.db2.gz SGELLRDBBYAZDH-GOEBONIOSA-N 2 1 274.408 2.264 20 0 CEADMP C[NH+](C[C@H]1Cc2ccccc2O1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208615190 802392607 /nfs/dbraw/zinc/39/26/07/802392607.db2.gz SGELLRDBBYAZDH-GOEBONIOSA-N 2 1 274.408 2.264 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC[C@H]1C[NH3+] ZINC000721439516 802650216 /nfs/dbraw/zinc/65/02/16/802650216.db2.gz ATCLSGLTNOBINN-RHYQMDGZSA-N 2 1 280.334 2.013 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])o1 ZINC000723649764 802915784 /nfs/dbraw/zinc/91/57/84/802915784.db2.gz GXODYJAPFPDQPE-ZWNOBZJWSA-N 2 1 251.374 2.241 20 0 CEADMP C[C@@H]1CC[C@H](N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000398997366 802932685 /nfs/dbraw/zinc/93/26/85/802932685.db2.gz QKSGHWCYWHSZBR-BPQIPLTHSA-N 2 1 287.451 2.333 20 0 CEADMP CC(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001266854130 802943957 /nfs/dbraw/zinc/94/39/57/802943957.db2.gz BKKVRJAFJFLQOC-MRXNPFEDSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCCN(C)c2ccccc2)C[NH2+]1 ZINC000399118414 802951143 /nfs/dbraw/zinc/95/11/43/802951143.db2.gz NRCRAZCPCDZEBS-CABCVRRESA-N 2 1 261.413 2.243 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1OC ZINC000723888173 802963727 /nfs/dbraw/zinc/96/37/27/802963727.db2.gz XLEZNDFAXQMCND-CHWSQXEVSA-N 2 1 278.396 2.121 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(F)c1 ZINC000723895476 802966091 /nfs/dbraw/zinc/96/60/91/802966091.db2.gz XCXCBYMQLOAIEQ-VXGBXAGGSA-N 2 1 266.360 2.251 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)C[C@H]1CC[NH3+] ZINC000723908386 802966693 /nfs/dbraw/zinc/96/66/93/802966693.db2.gz QYSHOSSVXSJXBU-RBSFLKMASA-N 2 1 274.408 2.469 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccco3)on2)C[C@H]1CC[NH3+] ZINC000723907170 802966890 /nfs/dbraw/zinc/96/68/90/802966890.db2.gz JWRGXASUNFAVNQ-VXGBXAGGSA-N 2 1 275.352 2.351 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H]1CCCOC1 ZINC000723985274 802986396 /nfs/dbraw/zinc/98/63/96/802986396.db2.gz DYKWSLYGGYSQKP-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC=C(C)C)CC[N@H+]1C ZINC001267129986 803151623 /nfs/dbraw/zinc/15/16/23/803151623.db2.gz ZCERGZKIPZMUJX-OWCLPIDISA-N 2 1 295.471 2.167 20 0 CEADMP CC[N@H+]1CCC[C@H]1CCCNC(=O)CCC[NH+]1CCCC1 ZINC001267182217 803200516 /nfs/dbraw/zinc/20/05/16/803200516.db2.gz WZUYAZDANFZJOG-MRXNPFEDSA-N 2 1 295.471 2.243 20 0 CEADMP CC(C)C[C@@H](N)C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246307808 813769955 /nfs/dbraw/zinc/76/99/55/813769955.db2.gz DZBRXMZGVDRESE-QQFBHYJXSA-N 2 1 267.461 2.262 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](CCO)C2CCCC2)CC1 ZINC000725095329 803426631 /nfs/dbraw/zinc/42/66/31/803426631.db2.gz KLMXTLWLQPRYPR-HNNXBMFYSA-N 2 1 254.418 2.002 20 0 CEADMP OCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000725116224 803430190 /nfs/dbraw/zinc/43/01/90/803430190.db2.gz RUWNGJPHSXXYIM-XHSDSOJGSA-N 2 1 266.429 2.144 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1CN1CC[NH+](CC2CC2)CC1 ZINC001140803756 803557781 /nfs/dbraw/zinc/55/77/81/803557781.db2.gz VMSBETFGDGLWJZ-UHFFFAOYSA-N 2 1 270.380 2.091 20 0 CEADMP C[C@H]1C[N@H+](C2CCN(c3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000708853589 803570439 /nfs/dbraw/zinc/57/04/39/803570439.db2.gz RWGASFMSQIBXLI-LSDHHAIUSA-N 2 1 273.424 2.182 20 0 CEADMP COC(=[NH2+])c1cccc(-n2nc(C[NH3+])c3ccccc32)c1 ZINC001167701025 803575701 /nfs/dbraw/zinc/57/57/01/803575701.db2.gz KYANQXNMKFTHSR-UHFFFAOYSA-N 2 1 280.331 2.456 20 0 CEADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)n(C2CC2)c1 ZINC001117782868 814949015 /nfs/dbraw/zinc/94/90/15/814949015.db2.gz AHSPOTAAOVRFNK-CYBMUJFWSA-N 2 1 259.397 2.397 20 0 CEADMP CN(C)CC[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC001207436351 803608410 /nfs/dbraw/zinc/60/84/10/803608410.db2.gz GVDZIJBFRSPXOP-UHFFFAOYSA-N 2 1 275.440 2.050 20 0 CEADMP C([C@@H]1CC[C@H](C2CC2)O1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000715397311 814953314 /nfs/dbraw/zinc/95/33/14/814953314.db2.gz XCMJHDMXPISDLH-LSDHHAIUSA-N 2 1 264.413 2.162 20 0 CEADMP C([C@@H]1CC[C@H](C2CC2)O1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000715397311 814953318 /nfs/dbraw/zinc/95/33/18/814953318.db2.gz XCMJHDMXPISDLH-LSDHHAIUSA-N 2 1 264.413 2.162 20 0 CEADMP C([C@@H]1CC[C@@H](C2CC2)O1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000715404427 814954530 /nfs/dbraw/zinc/95/45/30/814954530.db2.gz RRHHLPSYIYDLNW-JYJNAYRXSA-N 2 1 264.413 2.020 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000396536391 803740414 /nfs/dbraw/zinc/74/04/14/803740414.db2.gz JDYYQGCMMWECCU-DOTOQJQBSA-N 2 1 275.440 2.239 20 0 CEADMP C[NH+]1CCC(CC[N@@H+]2CCO[C@H](c3ccccn3)C2)CC1 ZINC001207486030 803803001 /nfs/dbraw/zinc/80/30/01/803803001.db2.gz BOPABGQJEHSZSQ-KRWDZBQOSA-N 2 1 289.423 2.187 20 0 CEADMP C[NH+]1CCC(CC[N@H+]2CCO[C@H](c3ccccn3)C2)CC1 ZINC001207486030 803803011 /nfs/dbraw/zinc/80/30/11/803803011.db2.gz BOPABGQJEHSZSQ-KRWDZBQOSA-N 2 1 289.423 2.187 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001027433415 804073543 /nfs/dbraw/zinc/07/35/43/804073543.db2.gz YPMUMMBKXFGEKT-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001027433415 804073552 /nfs/dbraw/zinc/07/35/52/804073552.db2.gz YPMUMMBKXFGEKT-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001027433415 804073560 /nfs/dbraw/zinc/07/35/60/804073560.db2.gz YPMUMMBKXFGEKT-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000125537754 804096396 /nfs/dbraw/zinc/09/63/96/804096396.db2.gz KGFGAXCBJLZMHC-CYBMUJFWSA-N 2 1 255.365 2.406 20 0 CEADMP CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001027601648 804146776 /nfs/dbraw/zinc/14/67/76/804146776.db2.gz FZQFJYCXNYXEQO-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001027601648 804146780 /nfs/dbraw/zinc/14/67/80/804146780.db2.gz FZQFJYCXNYXEQO-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027601648 804146784 /nfs/dbraw/zinc/14/67/84/804146784.db2.gz FZQFJYCXNYXEQO-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1SCCS1 ZINC000692850099 804190004 /nfs/dbraw/zinc/19/00/04/804190004.db2.gz VCZMGCBPBXWPCH-QWRGUYRKSA-N 2 1 258.456 2.009 20 0 CEADMP CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027695429 804199801 /nfs/dbraw/zinc/19/98/01/804199801.db2.gz VCLLNVZZSMAWFT-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CCC[NH2+]CC3)C2)cc1 ZINC001204655093 804256673 /nfs/dbraw/zinc/25/66/73/804256673.db2.gz OKXOPBZKIVJHLH-SFHVURJKSA-N 2 1 287.451 2.194 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)[C@@H]1CCCC[NH2+]1 ZINC000722321192 804283443 /nfs/dbraw/zinc/28/34/43/804283443.db2.gz OYIXBZGSNGQCAO-CYUUQNCZSA-N 2 1 252.402 2.064 20 0 CEADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccns1 ZINC000716017583 815014578 /nfs/dbraw/zinc/01/45/78/815014578.db2.gz BUWZPKUZBYAELR-SRVKXCTJSA-N 2 1 251.399 2.421 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001167834899 804421839 /nfs/dbraw/zinc/42/18/39/804421839.db2.gz NPNSAIZADAFSHY-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC2(C1)OCCO2 ZINC001167838471 804430971 /nfs/dbraw/zinc/43/09/71/804430971.db2.gz VDEYRIQNCZZTRT-HNNXBMFYSA-N 2 1 284.444 2.336 20 0 CEADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001268236391 804562987 /nfs/dbraw/zinc/56/29/87/804562987.db2.gz GXQIUXCZVZALQR-INIZCTEOSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001268236391 804562994 /nfs/dbraw/zinc/56/29/94/804562994.db2.gz GXQIUXCZVZALQR-INIZCTEOSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001268236391 804563002 /nfs/dbraw/zinc/56/30/02/804563002.db2.gz GXQIUXCZVZALQR-INIZCTEOSA-N 2 1 297.487 2.488 20 0 CEADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3C[C@H]4C[C@H]4C3)c2)CC1 ZINC001167898624 804595092 /nfs/dbraw/zinc/59/50/92/804595092.db2.gz SVZPZFJGDBDWSA-BWTSREIZSA-N 2 1 299.462 2.322 20 0 CEADMP C[N@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CCCC(C)(C)C)C1 ZINC001268625711 804895542 /nfs/dbraw/zinc/89/55/42/804895542.db2.gz JYLHKBXVBFHFAH-LLYBFZRZSA-N 2 1 295.471 2.026 20 0 CEADMP C(C1CC1)[NH+]1CCC([N@H+]2CCC[C@]23CCOC3)CC1 ZINC001168387862 807046265 /nfs/dbraw/zinc/04/62/65/807046265.db2.gz WHXQXUJKZXORHD-MRXNPFEDSA-N 2 1 264.413 2.116 20 0 CEADMP CC/C=C\CC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001269344134 805136750 /nfs/dbraw/zinc/13/67/50/805136750.db2.gz BCUMDAFFMSKYHH-PTZVLDCSSA-N 2 1 295.471 2.217 20 0 CEADMP CC/C=C\CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001269407399 805155648 /nfs/dbraw/zinc/15/56/48/805155648.db2.gz DGOQTHRDZUSLRA-JLCCIEBKSA-N 2 1 295.471 2.167 20 0 CEADMP CC/C=C\CC[NH+]1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269805790 805257291 /nfs/dbraw/zinc/25/72/91/805257291.db2.gz OTOCVQQHYBOWHD-QWGSZXSUSA-N 2 1 295.471 2.072 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845566 805303542 /nfs/dbraw/zinc/30/35/42/805303542.db2.gz MTBBMFBNVKFOMR-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845566 805303549 /nfs/dbraw/zinc/30/35/49/805303549.db2.gz MTBBMFBNVKFOMR-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845566 805303558 /nfs/dbraw/zinc/30/35/58/805303558.db2.gz MTBBMFBNVKFOMR-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP COC(=O)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963683 805440781 /nfs/dbraw/zinc/44/07/81/805440781.db2.gz BADDVGHGTMBBBK-GOOCMWNKSA-N 2 1 294.439 2.181 20 0 CEADMP O[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167966173 805476160 /nfs/dbraw/zinc/47/61/60/805476160.db2.gz RADTZFVNCOFXIP-ANTZAIPASA-N 2 1 278.440 2.285 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)CC1 ZINC000894536205 805504583 /nfs/dbraw/zinc/50/45/83/805504583.db2.gz UHABNKUBHIEAGY-HUUCEWRRSA-N 2 1 266.429 2.218 20 0 CEADMP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CC1 ZINC001167974838 805505780 /nfs/dbraw/zinc/50/57/80/805505780.db2.gz BGAHXHYGDVZOKZ-HMQMGEFJSA-N 2 1 278.440 2.406 20 0 CEADMP C[C@]1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCOC1 ZINC001167978721 805513590 /nfs/dbraw/zinc/51/35/90/805513590.db2.gz RQGKEKWMIHHMJS-UYTSQGDYSA-N 2 1 264.413 2.160 20 0 CEADMP CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001029112225 805543534 /nfs/dbraw/zinc/54/35/34/805543534.db2.gz YEVDHAFGKFXHEG-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H]1C ZINC001088898667 807267659 /nfs/dbraw/zinc/26/76/59/807267659.db2.gz PVJFIONWSKTDJR-PMPSAXMXSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H]1C ZINC001088898667 807267665 /nfs/dbraw/zinc/26/76/65/807267665.db2.gz PVJFIONWSKTDJR-PMPSAXMXSA-N 2 1 295.471 2.238 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001088939914 807285235 /nfs/dbraw/zinc/28/52/35/807285235.db2.gz QQKMDIPJMSNHSV-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCC3)CO2)CC[N@H+]1C ZINC000716292391 815110713 /nfs/dbraw/zinc/11/07/13/815110713.db2.gz YZWDSGLRJNYNJF-RBSFLKMASA-N 2 1 266.429 2.408 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716300942 815110913 /nfs/dbraw/zinc/11/09/13/815110913.db2.gz JOTMBOUUJMPXOD-KBPBESRZSA-N 2 1 252.402 2.006 20 0 CEADMP COc1cccc(CCC[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205094983 807584589 /nfs/dbraw/zinc/58/45/89/807584589.db2.gz SJVXLAXGFIOQRD-HNNXBMFYSA-N 2 1 262.397 2.441 20 0 CEADMP C[C@H]1SCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000699228031 807657444 /nfs/dbraw/zinc/65/74/44/807657444.db2.gz XRYHMNHVMWJOOS-DUJLVANISA-N 2 1 254.443 2.343 20 0 CEADMP C[N@@H+](CCc1ccncc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699287792 807674926 /nfs/dbraw/zinc/67/49/26/807674926.db2.gz HRVCPZVRCHLWIA-MQVJKMGUSA-N 2 1 259.397 2.087 20 0 CEADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@](C)(C(F)F)O1 ZINC000699311105 807680089 /nfs/dbraw/zinc/68/00/89/807680089.db2.gz JCTCRTGWJWUYCK-HHQTYALHSA-N 2 1 288.382 2.262 20 0 CEADMP OCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716727997 815144129 /nfs/dbraw/zinc/14/41/29/815144129.db2.gz NWDNLENPAFKHQA-BZSNNMDCSA-N 2 1 288.435 2.402 20 0 CEADMP CC(=O)OC(C)(C)CCC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235123138 807779470 /nfs/dbraw/zinc/77/94/70/807779470.db2.gz JIBRLFCCBXLFDU-MRXNPFEDSA-N 2 1 282.428 2.326 20 0 CEADMP CC(=O)OC(C)(C)CCC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235123138 807779473 /nfs/dbraw/zinc/77/94/73/807779473.db2.gz JIBRLFCCBXLFDU-MRXNPFEDSA-N 2 1 282.428 2.326 20 0 CEADMP Nc1cccc2[nH+]cn(-c3ccc(N4CC[NH2+]CC4)cc3)c21 ZINC001213265335 807796552 /nfs/dbraw/zinc/79/65/52/807796552.db2.gz FYCWPSCDEPUGCF-UHFFFAOYSA-N 2 1 293.374 2.017 20 0 CEADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205171451 807907333 /nfs/dbraw/zinc/90/73/33/807907333.db2.gz RCJHOPJGRDLPCM-MGPQQGTHSA-N 2 1 256.434 2.375 20 0 CEADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089616995 808074689 /nfs/dbraw/zinc/07/46/89/808074689.db2.gz QRSQHKVANHOUGK-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001089616995 808074694 /nfs/dbraw/zinc/07/46/94/808074694.db2.gz QRSQHKVANHOUGK-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001089616995 808074699 /nfs/dbraw/zinc/07/46/99/808074699.db2.gz QRSQHKVANHOUGK-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550420 808111485 /nfs/dbraw/zinc/11/14/85/808111485.db2.gz IHAQASKZICITJQ-JYJNAYRXSA-N 3 1 267.461 2.214 20 0 CEADMP Cn1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001119990940 815183914 /nfs/dbraw/zinc/18/39/14/815183914.db2.gz ZUFYVYFPMNXIKG-HRCADAONSA-N 2 1 261.413 2.187 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171545653 815188157 /nfs/dbraw/zinc/18/81/57/815188157.db2.gz FEDYSZUHGJPXOL-GJZGRUSLSA-N 2 1 283.460 2.145 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](CO)C2)CC1(C)C ZINC001171628550 815200601 /nfs/dbraw/zinc/20/06/01/815200601.db2.gz APWDIVKSMRQWMN-CYBMUJFWSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1[C@H](CO)CC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171631934 815202041 /nfs/dbraw/zinc/20/20/41/815202041.db2.gz QHCNSERQWMTWHP-OLZOCXBDSA-N 2 1 268.445 2.341 20 0 CEADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171596298 815202919 /nfs/dbraw/zinc/20/29/19/815202919.db2.gz MVGOHHBGCHILGN-CQSZACIVSA-N 2 1 285.476 2.391 20 0 CEADMP C[C@H]1C[N@@H+](CCc2ccc(F)cc2F)CC[C@H]1C[NH3+] ZINC001120268713 815209467 /nfs/dbraw/zinc/20/94/67/815209467.db2.gz IBLSPKMTXSWCHT-AAEUAGOBSA-N 2 1 268.351 2.424 20 0 CEADMP C[NH+]1C(C)(C)CC(N2[C@@H]3CC[C@H]2C[N@@H+](C)C3)CC1(C)C ZINC001171640033 815214084 /nfs/dbraw/zinc/21/40/84/815214084.db2.gz ZVORWDPWGVGSOS-OKILXGFUSA-N 2 1 279.472 2.416 20 0 CEADMP C[NH+]1C(C)(C)CC(N2[C@@H]3CC[C@H]2C[N@H+](C)C3)CC1(C)C ZINC001171640033 815214086 /nfs/dbraw/zinc/21/40/86/815214086.db2.gz ZVORWDPWGVGSOS-OKILXGFUSA-N 2 1 279.472 2.416 20 0 CEADMP C[NH+]1C(C)(C)CC(N2CCc3[nH+]ccn3CC2)CC1(C)C ZINC001171641142 815215213 /nfs/dbraw/zinc/21/52/13/815215213.db2.gz DMUTWHPXVGKLOP-UHFFFAOYSA-N 2 1 290.455 2.393 20 0 CEADMP C[C@H]1C[C@H](n2ccc(C[NH3+])n2)C[N@H+]1Cc1ccccc1 ZINC001171725957 815218487 /nfs/dbraw/zinc/21/84/87/815218487.db2.gz QNSMIHFUKHVICG-BBRMVZONSA-N 2 1 270.380 2.177 20 0 CEADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205221696 808625619 /nfs/dbraw/zinc/62/56/19/808625619.db2.gz WJZRNUJUVSYMPU-OAHLLOKOSA-N 2 1 298.814 2.024 20 0 CEADMP C[C@@H]1C[C@@H](n2cnc3c2C[NH2+]CC3)C[N@H+]1Cc1ccccc1 ZINC001171746702 815224420 /nfs/dbraw/zinc/22/44/20/815224420.db2.gz QZPSCOPHQIGVPM-GDBMZVCRSA-N 2 1 296.418 2.364 20 0 CEADMP C[C@H]1C[C@H](N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171759964 815227039 /nfs/dbraw/zinc/22/70/39/815227039.db2.gz OVOUCEQOVWXGJS-KANFNMMFSA-N 2 1 299.462 2.143 20 0 CEADMP C[C@H]1C[C@H](N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171759964 815227043 /nfs/dbraw/zinc/22/70/43/815227043.db2.gz OVOUCEQOVWXGJS-KANFNMMFSA-N 2 1 299.462 2.143 20 0 CEADMP C[C@H]1C[C@H](N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171759964 815227047 /nfs/dbraw/zinc/22/70/47/815227047.db2.gz OVOUCEQOVWXGJS-KANFNMMFSA-N 2 1 299.462 2.143 20 0 CEADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171759964 815227050 /nfs/dbraw/zinc/22/70/50/815227050.db2.gz OVOUCEQOVWXGJS-KANFNMMFSA-N 2 1 299.462 2.143 20 0 CEADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171759964 815227055 /nfs/dbraw/zinc/22/70/55/815227055.db2.gz OVOUCEQOVWXGJS-KANFNMMFSA-N 2 1 299.462 2.143 20 0 CEADMP C[C@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171759964 815227059 /nfs/dbraw/zinc/22/70/59/815227059.db2.gz OVOUCEQOVWXGJS-KANFNMMFSA-N 2 1 299.462 2.143 20 0 CEADMP CCc1cccc(C)c1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205247400 808699649 /nfs/dbraw/zinc/69/96/49/808699649.db2.gz GVBNFSHZFSJRDG-KRWDZBQOSA-N 2 1 276.424 2.233 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1Cc2cccc(F)c2C1 ZINC001171773411 815230181 /nfs/dbraw/zinc/23/01/81/815230181.db2.gz KTYMCIXKWFCXNK-CYBMUJFWSA-N 2 1 250.361 2.354 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171776980 815231447 /nfs/dbraw/zinc/23/14/47/815231447.db2.gz FTEILCLIISBKTI-KBPBESRZSA-N 2 1 262.372 2.367 20 0 CEADMP C[NH+]1CCN(c2ccc(Nc3ccc[nH+]c3N)cc2)CC1 ZINC001212400285 808745679 /nfs/dbraw/zinc/74/56/79/808745679.db2.gz WEKJDLQZKPTTPD-UHFFFAOYSA-N 2 1 283.379 2.159 20 0 CEADMP CC(C)OC1CC([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001116674507 808862813 /nfs/dbraw/zinc/86/28/13/808862813.db2.gz ABWBEVDPLQQPPG-CVSAEHQPSA-N 2 1 254.418 2.405 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC001171910349 815250378 /nfs/dbraw/zinc/25/03/78/815250378.db2.gz KSGGEAPYGXUVLN-NFOMZHRRSA-N 2 1 296.455 2.428 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)o1 ZINC001206152824 815259895 /nfs/dbraw/zinc/25/98/95/815259895.db2.gz BEURYZUZXAVYAB-UONOGXRCSA-N 2 1 254.349 2.282 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)o1 ZINC001206152824 815259897 /nfs/dbraw/zinc/25/98/97/815259897.db2.gz BEURYZUZXAVYAB-UONOGXRCSA-N 2 1 254.349 2.282 20 0 CEADMP CC1(C)C[C@H](N[C@@H]2C[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171984258 815265801 /nfs/dbraw/zinc/26/58/01/815265801.db2.gz UGBRUFOQQSHXLQ-BZUAXINKSA-N 2 1 273.424 2.119 20 0 CEADMP CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033358211 809283216 /nfs/dbraw/zinc/28/32/16/809283216.db2.gz IDARECBWAGOILG-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033358211 809283219 /nfs/dbraw/zinc/28/32/19/809283219.db2.gz IDARECBWAGOILG-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033358211 809283225 /nfs/dbraw/zinc/28/32/25/809283225.db2.gz IDARECBWAGOILG-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033424595 809299861 /nfs/dbraw/zinc/29/98/61/809299861.db2.gz TYXPYKRRYHUIDI-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001033424595 809299867 /nfs/dbraw/zinc/29/98/67/809299867.db2.gz TYXPYKRRYHUIDI-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033424595 809299872 /nfs/dbraw/zinc/29/98/72/809299872.db2.gz TYXPYKRRYHUIDI-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033424600 809300373 /nfs/dbraw/zinc/30/03/73/809300373.db2.gz TYXPYKRRYHUIDI-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001033424600 809300379 /nfs/dbraw/zinc/30/03/79/809300379.db2.gz TYXPYKRRYHUIDI-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033424600 809300385 /nfs/dbraw/zinc/30/03/85/809300385.db2.gz TYXPYKRRYHUIDI-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncs1)C2 ZINC001172098530 815282067 /nfs/dbraw/zinc/28/20/67/815282067.db2.gz FNIMTSCVMVQBMD-ZSBIGDGJSA-N 2 1 251.399 2.248 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCC[NH+]1CCCC1)C2 ZINC001172099737 815282226 /nfs/dbraw/zinc/28/22/26/815282226.db2.gz JOXOAGGFGUDDTH-MUJYYYPQSA-N 2 1 265.445 2.077 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)C2 ZINC001172100761 815284967 /nfs/dbraw/zinc/28/49/67/815284967.db2.gz SKXMQRSJWCWUKE-YVSFHVDLSA-N 2 1 292.398 2.464 20 0 CEADMP CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033826852 809428098 /nfs/dbraw/zinc/42/80/98/809428098.db2.gz VWCPLVXSTPVQQT-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033826852 809428104 /nfs/dbraw/zinc/42/81/04/809428104.db2.gz VWCPLVXSTPVQQT-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP C[NH+](C)CCC1CC[NH+](Cc2ccc(Cl)nn2)CC1 ZINC000701434135 809430181 /nfs/dbraw/zinc/43/01/81/809430181.db2.gz BEJXHKQWDUFAHX-UHFFFAOYSA-N 2 1 282.819 2.294 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1Cc3ccccc3NC1=O)C2 ZINC001172103900 815293692 /nfs/dbraw/zinc/29/36/92/815293692.db2.gz XUHSFJBGUTVLOX-MPTYRVRUSA-N 2 1 299.418 2.155 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1Cc3ccccc3NC1=O)C2 ZINC001172103900 815293698 /nfs/dbraw/zinc/29/36/98/815293698.db2.gz XUHSFJBGUTVLOX-MPTYRVRUSA-N 2 1 299.418 2.155 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1CNc1cc[nH+]c(N)n1 ZINC001120892172 815291651 /nfs/dbraw/zinc/29/16/51/815291651.db2.gz ARDXQHNXLYTVSA-GFCCVEGCSA-N 2 1 263.389 2.125 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNc1cc[nH+]c(N)n1 ZINC001120892172 815291653 /nfs/dbraw/zinc/29/16/53/815291653.db2.gz ARDXQHNXLYTVSA-GFCCVEGCSA-N 2 1 263.389 2.125 20 0 CEADMP [NH3+]CCC[N@@H+](C1CCCCC1)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172144678 815292914 /nfs/dbraw/zinc/29/29/14/815292914.db2.gz APWADDYUVBAAND-HZPDHXFCSA-N 2 1 293.455 2.123 20 0 CEADMP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1(C)C ZINC001172101870 815294275 /nfs/dbraw/zinc/29/42/75/815294275.db2.gz CHOPNWTWPWSNBR-RMEBNNNOSA-N 2 1 294.439 2.179 20 0 CEADMP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC001172101870 815294280 /nfs/dbraw/zinc/29/42/80/815294280.db2.gz CHOPNWTWPWSNBR-RMEBNNNOSA-N 2 1 294.439 2.179 20 0 CEADMP COCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1 ZINC001172107708 815295548 /nfs/dbraw/zinc/29/55/48/815295548.db2.gz JZPRRAHBWNXXAZ-ZSOGYDGISA-N 2 1 252.402 2.160 20 0 CEADMP COCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001172107708 815295551 /nfs/dbraw/zinc/29/55/51/815295551.db2.gz JZPRRAHBWNXXAZ-ZSOGYDGISA-N 2 1 252.402 2.160 20 0 CEADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034131905 809527967 /nfs/dbraw/zinc/52/79/67/809527967.db2.gz OWJRRZCOZIRZKT-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034131905 809527973 /nfs/dbraw/zinc/52/79/73/809527973.db2.gz OWJRRZCOZIRZKT-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034131905 809527976 /nfs/dbraw/zinc/52/79/76/809527976.db2.gz OWJRRZCOZIRZKT-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCC[NH+](C)CC1)C2 ZINC001172104815 815296658 /nfs/dbraw/zinc/29/66/58/815296658.db2.gz GFUXDRZUXVNTNX-LVQVYYBASA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCC[N@H+](C)CC1)C2 ZINC001172104815 815296661 /nfs/dbraw/zinc/29/66/61/815296661.db2.gz GFUXDRZUXVNTNX-LVQVYYBASA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCC[N@@H+](C)CC1)C2 ZINC001172104815 815296664 /nfs/dbraw/zinc/29/66/64/815296664.db2.gz GFUXDRZUXVNTNX-LVQVYYBASA-N 2 1 265.445 2.076 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncc(F)c1)C2 ZINC001172108034 815298195 /nfs/dbraw/zinc/29/81/95/815298195.db2.gz OAXJHGHTYJDWDR-QKDCVEJESA-N 2 1 263.360 2.326 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)C(C)(C)O)C2 ZINC001172109482 815298462 /nfs/dbraw/zinc/29/84/62/815298462.db2.gz DLGNQLDQPNYCAP-CLLJXQQHSA-N 2 1 254.418 2.141 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)C(C)(C)O)C2 ZINC001172109482 815298465 /nfs/dbraw/zinc/29/84/65/815298465.db2.gz DLGNQLDQPNYCAP-CLLJXQQHSA-N 2 1 254.418 2.141 20 0 CEADMP Cc1nnc2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cn12 ZINC001172110645 815300038 /nfs/dbraw/zinc/30/00/38/815300038.db2.gz LDYRIGUHRXOGNB-PHZGNYQRSA-N 2 1 299.422 2.143 20 0 CEADMP CCC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034397834 809600434 /nfs/dbraw/zinc/60/04/34/809600434.db2.gz LUSZTSLEJCRMJK-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034397834 809600437 /nfs/dbraw/zinc/60/04/37/809600437.db2.gz LUSZTSLEJCRMJK-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034397834 809600441 /nfs/dbraw/zinc/60/04/41/809600441.db2.gz LUSZTSLEJCRMJK-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1nc2c(n1[C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC[NH2+]CC2 ZINC001172116625 815304956 /nfs/dbraw/zinc/30/49/56/815304956.db2.gz BMCMUXPCPWZXGB-QDMKHBRRSA-N 2 1 288.439 2.068 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1Oc3ccccc3O1)C2 ZINC001172117808 815305573 /nfs/dbraw/zinc/30/55/73/815305573.db2.gz NGTKPLQRANSUFH-BTTYYORXSA-N 2 1 288.391 2.389 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000703577328 809666526 /nfs/dbraw/zinc/66/65/26/809666526.db2.gz MZQJGJOSTQNQAU-QLFBSQMISA-N 2 1 267.461 2.085 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC3(CCC(=O)O3)CC1)C2 ZINC001172121017 815309525 /nfs/dbraw/zinc/30/95/25/815309525.db2.gz BJNLYEZBMDHKON-FICVDOATSA-N 2 1 292.423 2.173 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCC(=O)O3)CC1)C2 ZINC001172121017 815309535 /nfs/dbraw/zinc/30/95/35/815309535.db2.gz BJNLYEZBMDHKON-FICVDOATSA-N 2 1 292.423 2.173 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1COC(C)(C)C1)C2 ZINC001172119266 815309602 /nfs/dbraw/zinc/30/96/02/815309602.db2.gz XINDGONXFJABAE-XDQVBPFNSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1COC(C)(C)C1)C2 ZINC001172119266 815309607 /nfs/dbraw/zinc/30/96/07/815309607.db2.gz XINDGONXFJABAE-XDQVBPFNSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[C@H]1C[C@H]3F)C2 ZINC001172121785 815311763 /nfs/dbraw/zinc/31/17/63/815311763.db2.gz MMGMOXFZGGEMNR-XDSHMYFISA-N 2 1 252.377 2.434 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3C[C@H]1C[C@H]3F)C2 ZINC001172121785 815311770 /nfs/dbraw/zinc/31/17/70/815311770.db2.gz MMGMOXFZGGEMNR-XDSHMYFISA-N 2 1 252.377 2.434 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H]3C[C@H]1C[C@H]3F)C2 ZINC001172121785 815311775 /nfs/dbraw/zinc/31/17/75/815311775.db2.gz MMGMOXFZGGEMNR-XDSHMYFISA-N 2 1 252.377 2.434 20 0 CEADMP Cc1cccc(CC[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206157447 815313126 /nfs/dbraw/zinc/31/31/26/815313126.db2.gz YQLJWWKSPFWJFA-HUUCEWRRSA-N 2 1 250.361 2.299 20 0 CEADMP Cc1cccc(CC[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206157447 815313131 /nfs/dbraw/zinc/31/31/31/815313131.db2.gz YQLJWWKSPFWJFA-HUUCEWRRSA-N 2 1 250.361 2.299 20 0 CEADMP CC[C@]1(C)COCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000707192492 809884829 /nfs/dbraw/zinc/88/48/29/809884829.db2.gz BOYVHOPZCYBZDI-JALIKCBVSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000708334795 809926187 /nfs/dbraw/zinc/92/61/87/809926187.db2.gz ALWVVVJGHDAXIB-ILXRZTDVSA-N 2 1 266.429 2.266 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000708368639 809927081 /nfs/dbraw/zinc/92/70/81/809927081.db2.gz RNRAZIZLUZWASG-GRYCIOLGSA-N 2 1 294.361 2.261 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC000708488581 809943052 /nfs/dbraw/zinc/94/30/52/809943052.db2.gz ZGGCBDQTSRSJCO-AWEZNQCLSA-N 2 1 273.424 2.428 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C(C)(C)O1 ZINC000709704779 809954203 /nfs/dbraw/zinc/95/42/03/809954203.db2.gz YZNFPIFCISZIBJ-DVOMOZLQSA-N 2 1 266.429 2.121 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000709801235 809970529 /nfs/dbraw/zinc/97/05/29/809970529.db2.gz PJTFUYZLBBOXBJ-XGUBFFRZSA-N 2 1 264.413 2.290 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000709834823 809971288 /nfs/dbraw/zinc/97/12/88/809971288.db2.gz HAHYQECDWVKVPE-DGCLKSJQSA-N 2 1 288.313 2.264 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000709834823 809971294 /nfs/dbraw/zinc/97/12/94/809971294.db2.gz HAHYQECDWVKVPE-DGCLKSJQSA-N 2 1 288.313 2.264 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1C(F)(F)F ZINC000709839107 809971419 /nfs/dbraw/zinc/97/14/19/809971419.db2.gz WXMXIPSRSQPFQM-DGCLKSJQSA-N 2 1 288.313 2.134 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1C(F)(F)F ZINC000709839107 809971422 /nfs/dbraw/zinc/97/14/22/809971422.db2.gz WXMXIPSRSQPFQM-DGCLKSJQSA-N 2 1 288.313 2.134 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)CC[N@H+]1C ZINC000711496332 810079257 /nfs/dbraw/zinc/07/92/57/810079257.db2.gz QUBZVDINQKZIPP-MCIONIFRSA-N 2 1 252.402 2.160 20 0 CEADMP c1cc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000711540688 810082657 /nfs/dbraw/zinc/08/26/57/810082657.db2.gz FCRRYGCNLDJNEO-GASCZTMLSA-N 2 1 274.433 2.127 20 0 CEADMP CCOC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506243 810104483 /nfs/dbraw/zinc/10/44/83/810104483.db2.gz GXFKGRWOIBJMOK-KBPBESRZSA-N 2 1 282.428 2.040 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923503681 810105861 /nfs/dbraw/zinc/10/58/61/810105861.db2.gz KUXCEFQYKYNETI-CABCVRRESA-N 2 1 262.397 2.291 20 0 CEADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001015421651 810289146 /nfs/dbraw/zinc/28/91/46/810289146.db2.gz FVUBPEGFALXSAE-HNNXBMFYSA-N 2 1 298.390 2.085 20 0 CEADMP CC[N@H+](Cc1ccncc1)C1CC[NH+](CCCOC)CC1 ZINC001172251082 815358637 /nfs/dbraw/zinc/35/86/37/815358637.db2.gz ZOKYDXKYPHPOTL-UHFFFAOYSA-N 2 1 291.439 2.404 20 0 CEADMP CC[N@@H+](Cc1ccncc1)C1CC[NH+](CCCOC)CC1 ZINC001172251082 815358644 /nfs/dbraw/zinc/35/86/44/815358644.db2.gz ZOKYDXKYPHPOTL-UHFFFAOYSA-N 2 1 291.439 2.404 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C(C)C)C1 ZINC001015973291 810381932 /nfs/dbraw/zinc/38/19/32/810381932.db2.gz AYVOORBSBZJYQG-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001015973291 810381935 /nfs/dbraw/zinc/38/19/35/810381935.db2.gz AYVOORBSBZJYQG-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C(C)C)C1 ZINC001015973291 810381940 /nfs/dbraw/zinc/38/19/40/810381940.db2.gz AYVOORBSBZJYQG-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001017638675 810538232 /nfs/dbraw/zinc/53/82/32/810538232.db2.gz FVBPRSNTZKHQPC-XHSDSOJGSA-N 2 1 295.471 2.048 20 0 CEADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc3c[nH]nc3c1)CC2 ZINC001276377591 810785280 /nfs/dbraw/zinc/78/52/80/810785280.db2.gz CGGLWCHTWGAOLQ-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP Cc1ccc(NCCNC(=O)C[C@H]([NH3+])c2ccccc2)[nH+]c1 ZINC001122324245 815402185 /nfs/dbraw/zinc/40/21/85/815402185.db2.gz XCUKHMUBBSGREQ-HNNXBMFYSA-N 2 1 298.390 2.008 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2C(C)C)C1 ZINC001085779286 810909351 /nfs/dbraw/zinc/90/93/51/810909351.db2.gz RMRIYRYDMFGFLX-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2C(C)C)C1 ZINC001085779286 810909354 /nfs/dbraw/zinc/90/93/54/810909354.db2.gz RMRIYRYDMFGFLX-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2C(C)C)C1 ZINC001085779286 810909358 /nfs/dbraw/zinc/90/93/58/810909358.db2.gz RMRIYRYDMFGFLX-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC(C)C ZINC001039049263 810975102 /nfs/dbraw/zinc/97/51/02/810975102.db2.gz KLTVQGCBZYWKFY-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC(C)C ZINC001039049263 810975109 /nfs/dbraw/zinc/97/51/09/810975109.db2.gz KLTVQGCBZYWKFY-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC(C)C ZINC001039049263 810975115 /nfs/dbraw/zinc/97/51/15/810975115.db2.gz KLTVQGCBZYWKFY-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)O1 ZINC000714382118 811006828 /nfs/dbraw/zinc/00/68/28/811006828.db2.gz ZWLBBBZOIGVRIP-BFHYXJOUSA-N 2 1 252.402 2.018 20 0 CEADMP C1C[N@@H+]2CCCC[C@@H]2[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723663034 811027601 /nfs/dbraw/zinc/02/76/01/811027601.db2.gz KOJIZNMHWNTTSR-OVYGPGRDSA-N 2 1 278.440 2.408 20 0 CEADMP C1C[N@H+]2CCCC[C@@H]2[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723663034 811027604 /nfs/dbraw/zinc/02/76/04/811027604.db2.gz KOJIZNMHWNTTSR-OVYGPGRDSA-N 2 1 278.440 2.408 20 0 CEADMP CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086133865 811039359 /nfs/dbraw/zinc/03/93/59/811039359.db2.gz IICZENREZIZMHR-XHSDSOJGSA-N 2 1 295.471 2.001 20 0 CEADMP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C)[NH+](C)C ZINC001039920405 811067704 /nfs/dbraw/zinc/06/77/04/811067704.db2.gz WGKYYJSWSPYCKP-XHSDSOJGSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000379633423 811123099 /nfs/dbraw/zinc/12/30/99/811123099.db2.gz UKNGVDLNGXFQEB-NJAFHUGGSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379633423 811123103 /nfs/dbraw/zinc/12/31/03/811123103.db2.gz UKNGVDLNGXFQEB-NJAFHUGGSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379633423 811123106 /nfs/dbraw/zinc/12/31/06/811123106.db2.gz UKNGVDLNGXFQEB-NJAFHUGGSA-N 2 1 287.451 2.333 20 0 CEADMP CC(=O)Oc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001205994369 811285315 /nfs/dbraw/zinc/28/53/15/811285315.db2.gz LEBOALBTNUBQDK-CJNGLKHVSA-N 2 1 290.407 2.419 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1Cc3ccccc3O1)C2 ZINC001169094892 811367217 /nfs/dbraw/zinc/36/72/17/811367217.db2.gz MXPQBGYYFWRMFH-QKPAOTATSA-N 2 1 272.392 2.205 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1Cc3ccccc3O1)C2 ZINC001169094890 811367454 /nfs/dbraw/zinc/36/74/54/811367454.db2.gz MXPQBGYYFWRMFH-JONQDZQNSA-N 2 1 272.392 2.205 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccnc(Cl)c1)C2 ZINC001169080332 811378638 /nfs/dbraw/zinc/37/86/38/811378638.db2.gz MPGVYWOVSDYAJL-XYYAHUGASA-N 2 1 265.788 2.450 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccnc(Cl)c1)C2 ZINC001169080332 811378647 /nfs/dbraw/zinc/37/86/47/811378647.db2.gz MPGVYWOVSDYAJL-XYYAHUGASA-N 2 1 265.788 2.450 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])c1ccc(Cl)nc1)C2 ZINC001169092176 811383189 /nfs/dbraw/zinc/38/31/89/811383189.db2.gz ZJOFEALJNWUXME-CNDDSTCGSA-N 2 1 278.787 2.275 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CCSCC1)C2 ZINC001169119812 811387692 /nfs/dbraw/zinc/38/76/92/811387692.db2.gz WNIKPJCZJPHIAH-ZSOGYDGISA-N 2 1 254.443 2.344 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001169122846 811388960 /nfs/dbraw/zinc/38/89/60/811388960.db2.gz FLGUSLHTDRXGMB-MTSZKFMLSA-N 2 1 279.472 2.320 20 0 CEADMP CC(C)[NH+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC001169122846 811388972 /nfs/dbraw/zinc/38/89/72/811388972.db2.gz FLGUSLHTDRXGMB-MTSZKFMLSA-N 2 1 279.472 2.320 20 0 CEADMP CC(C)[NH+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC001169122846 811388981 /nfs/dbraw/zinc/38/89/81/811388981.db2.gz FLGUSLHTDRXGMB-MTSZKFMLSA-N 2 1 279.472 2.320 20 0 CEADMP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001169122846 811388988 /nfs/dbraw/zinc/38/89/88/811388988.db2.gz FLGUSLHTDRXGMB-MTSZKFMLSA-N 3 1 279.472 2.320 20 0 CEADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001169122846 811388998 /nfs/dbraw/zinc/38/89/98/811388998.db2.gz FLGUSLHTDRXGMB-MTSZKFMLSA-N 3 1 279.472 2.320 20 0 CEADMP CC(C)[NH+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC001169122846 811389007 /nfs/dbraw/zinc/38/90/07/811389007.db2.gz FLGUSLHTDRXGMB-MTSZKFMLSA-N 3 1 279.472 2.320 20 0 CEADMP CC(C)[NH+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC001169122846 811389017 /nfs/dbraw/zinc/38/90/17/811389017.db2.gz FLGUSLHTDRXGMB-MTSZKFMLSA-N 3 1 279.472 2.320 20 0 CEADMP COC[C@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124458 811393594 /nfs/dbraw/zinc/39/35/94/811393594.db2.gz CXCGTPIQKIDZNV-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124458 811393601 /nfs/dbraw/zinc/39/36/01/811393601.db2.gz CXCGTPIQKIDZNV-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124458 811393612 /nfs/dbraw/zinc/39/36/12/811393612.db2.gz CXCGTPIQKIDZNV-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC(C)(C)C[C@@]1(C)CO)C2 ZINC001169124841 811393960 /nfs/dbraw/zinc/39/39/60/811393960.db2.gz FFNHEYWUGXOMKQ-NHIYQJMISA-N 2 1 266.429 2.095 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC(C)(C)C[C@@]1(C)CO)C2 ZINC001169124841 811393968 /nfs/dbraw/zinc/39/39/68/811393968.db2.gz FFNHEYWUGXOMKQ-NHIYQJMISA-N 2 1 266.429 2.095 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC(C)(C)C[C@@]1(C)CO)C2 ZINC001169124841 811393981 /nfs/dbraw/zinc/39/39/81/811393981.db2.gz FFNHEYWUGXOMKQ-NHIYQJMISA-N 2 1 266.429 2.095 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC(C)(C)C[C@@]1(C)CO)C2 ZINC001169124841 811393991 /nfs/dbraw/zinc/39/39/91/811393991.db2.gz FFNHEYWUGXOMKQ-NHIYQJMISA-N 2 1 266.429 2.095 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1COc3ccccc3C1)C2 ZINC001169109395 811404675 /nfs/dbraw/zinc/40/46/75/811404675.db2.gz BWKDHPHXGQXLAE-MXASKKJJSA-N 2 1 286.419 2.453 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](c3ccccn3)C1)C2 ZINC001169142769 811408184 /nfs/dbraw/zinc/40/81/84/811408184.db2.gz VKIOTVMPNZHCDU-LVQVYYBASA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H](c3ccccn3)C1)C2 ZINC001169142769 811408189 /nfs/dbraw/zinc/40/81/89/811408189.db2.gz VKIOTVMPNZHCDU-LVQVYYBASA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H](c3ccccn3)C1)C2 ZINC001169142769 811408193 /nfs/dbraw/zinc/40/81/93/811408193.db2.gz VKIOTVMPNZHCDU-LVQVYYBASA-N 2 1 271.408 2.496 20 0 CEADMP Cc1noc(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC001169142541 811409156 /nfs/dbraw/zinc/40/91/56/811409156.db2.gz CUHPUOXHIJSFRU-QDMKHBRRSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1noc(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC001169142541 811409162 /nfs/dbraw/zinc/40/91/62/811409162.db2.gz CUHPUOXHIJSFRU-QDMKHBRRSA-N 2 1 290.411 2.183 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@]3(C1)CCCOC3)C2 ZINC001169146413 811410432 /nfs/dbraw/zinc/41/04/32/811410432.db2.gz PFTOZKKDAYINIV-QKPAOTATSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@]3(C1)CCCOC3)C2 ZINC001169146413 811410435 /nfs/dbraw/zinc/41/04/35/811410435.db2.gz PFTOZKKDAYINIV-QKPAOTATSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@]3(C1)CCCOC3)C2 ZINC001169146413 811410438 /nfs/dbraw/zinc/41/04/38/811410438.db2.gz PFTOZKKDAYINIV-QKPAOTATSA-N 2 1 264.413 2.114 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OCO2)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144607 811411074 /nfs/dbraw/zinc/41/10/74/811411074.db2.gz KLAFUNUJCRICBW-FICVDOATSA-N 2 1 288.391 2.472 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OCO2)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144607 811411078 /nfs/dbraw/zinc/41/10/78/811411078.db2.gz KLAFUNUJCRICBW-FICVDOATSA-N 2 1 288.391 2.472 20 0 CEADMP C[NH+](Cc1ccc2c(c1)OCO2)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144607 811411082 /nfs/dbraw/zinc/41/10/82/811411082.db2.gz KLAFUNUJCRICBW-FICVDOATSA-N 2 1 288.391 2.472 20 0 CEADMP C[NH+](Cc1ccc2c(c1)OCO2)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144607 811411086 /nfs/dbraw/zinc/41/10/86/811411086.db2.gz KLAFUNUJCRICBW-FICVDOATSA-N 2 1 288.391 2.472 20 0 CEADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1C[NH+](CCC(C)(C)C)C1 ZINC001043863169 811414508 /nfs/dbraw/zinc/41/45/08/811414508.db2.gz ACVJRPJCKGXFSU-AWEZNQCLSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cncc1C1CC[NH2+]CC1)C2 ZINC001169155586 811417589 /nfs/dbraw/zinc/41/75/89/811417589.db2.gz RUJABYKZMVKSMA-FICVDOATSA-N 2 1 274.412 2.148 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]3(C1)CC(F)(F)CO3)C2 ZINC001169155601 811417838 /nfs/dbraw/zinc/41/78/38/811417838.db2.gz RZRJVXQZWUQPAI-ZOBORPQBSA-N 2 1 286.366 2.112 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(C1)CC(F)(F)CO3)C2 ZINC001169155601 811417856 /nfs/dbraw/zinc/41/78/56/811417856.db2.gz RZRJVXQZWUQPAI-ZOBORPQBSA-N 2 1 286.366 2.112 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@]3(C1)CC(F)(F)CO3)C2 ZINC001169155601 811417861 /nfs/dbraw/zinc/41/78/61/811417861.db2.gz RZRJVXQZWUQPAI-ZOBORPQBSA-N 2 1 286.366 2.112 20 0 CEADMP CCCC[NH+]1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001044004634 811427421 /nfs/dbraw/zinc/42/74/21/811427421.db2.gz NSKAFCWWVOFUQP-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2ccccc2N(C)C)CC1 ZINC001169221459 811435351 /nfs/dbraw/zinc/43/53/51/811435351.db2.gz GKYNYVXQANXSRA-UHFFFAOYSA-N 2 1 261.413 2.327 20 0 CEADMP CCN1CCC([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001169222026 811436268 /nfs/dbraw/zinc/43/62/68/811436268.db2.gz VVXKIYUMLGZGJA-UHFFFAOYSA-N 3 1 267.461 2.454 20 0 CEADMP CC[NH+]1CCC(N(CCC[NH3+])C2CCCCC2)CC1 ZINC001169222026 811436272 /nfs/dbraw/zinc/43/62/72/811436272.db2.gz VVXKIYUMLGZGJA-UHFFFAOYSA-N 3 1 267.461 2.454 20 0 CEADMP CC[NH+]1CCC([NH2+]C(C)(C)Cc2ccccn2)CC1 ZINC001169241928 811458022 /nfs/dbraw/zinc/45/80/22/811458022.db2.gz UXXYVSZFMWBQAT-UHFFFAOYSA-N 2 1 261.413 2.477 20 0 CEADMP CC[NH+]1CCC([NH2+]C2(c3ccc(N)cc3)CC2)CC1 ZINC001169244885 811461305 /nfs/dbraw/zinc/46/13/05/811461305.db2.gz XULRBPGWRCBMQP-UHFFFAOYSA-N 2 1 259.397 2.332 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC001169258371 811468708 /nfs/dbraw/zinc/46/87/08/811468708.db2.gz JXTGYZGHHOYAKD-CQSZACIVSA-N 2 1 259.397 2.355 20 0 CEADMP CC[NH+]1CCC([N@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC001169258371 811468711 /nfs/dbraw/zinc/46/87/11/811468711.db2.gz JXTGYZGHHOYAKD-CQSZACIVSA-N 2 1 259.397 2.355 20 0 CEADMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC001169433105 811521627 /nfs/dbraw/zinc/52/16/27/811521627.db2.gz RWPUTRPOKQJYPZ-HNNXBMFYSA-N 2 1 285.476 2.345 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001169458043 811532624 /nfs/dbraw/zinc/53/26/24/811532624.db2.gz ZSVXQTPFZGDYDS-CVEARBPZSA-N 2 1 297.487 2.474 20 0 CEADMP [NH3+]C[C@@]1([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CN2CCC1CC2 ZINC001172555264 815460950 /nfs/dbraw/zinc/46/09/50/815460950.db2.gz GXOZCULXFXNDLV-BHIYHBOVSA-N 2 1 299.462 2.335 20 0 CEADMP CCC[NH+](CCC)CC[NH2+][C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001172584761 815476589 /nfs/dbraw/zinc/47/65/89/815476589.db2.gz AEQMWNDDGYAFEK-LSDHHAIUSA-N 2 1 284.444 2.430 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2ccc3cccc(O)c3n2)CC[C@@H]1F ZINC001206174763 815492746 /nfs/dbraw/zinc/49/27/46/815492746.db2.gz PHTNNEYAJQXYFO-KBPBESRZSA-N 2 1 289.354 2.202 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3cccc(O)c3n2)CC[C@@H]1F ZINC001206174763 815492751 /nfs/dbraw/zinc/49/27/51/815492751.db2.gz PHTNNEYAJQXYFO-KBPBESRZSA-N 2 1 289.354 2.202 20 0 CEADMP N[C@H]1CC[N@@H+](Cc2cccc3ccncc32)CC[C@H]1F ZINC001206172527 815489212 /nfs/dbraw/zinc/48/92/12/815489212.db2.gz AKWHPRSJFADUQD-CVEARBPZSA-N 2 1 273.355 2.496 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc3ccncc32)CC[C@H]1F ZINC001206172527 815489217 /nfs/dbraw/zinc/48/92/17/815489217.db2.gz AKWHPRSJFADUQD-CVEARBPZSA-N 2 1 273.355 2.496 20 0 CEADMP [NH3+][C@@H](CO)Cc1c[nH+]cn1C1CCC2(CCCC2)CC1 ZINC001172725970 815494640 /nfs/dbraw/zinc/49/46/40/815494640.db2.gz RSLGQWPZSVZJEW-CYBMUJFWSA-N 2 1 277.412 2.421 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001172749496 815503000 /nfs/dbraw/zinc/50/30/00/815503000.db2.gz BRXZUWQWNDRLNQ-CABCVRRESA-N 2 1 284.444 2.428 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001172768368 815513466 /nfs/dbraw/zinc/51/34/66/815513466.db2.gz RZFOLOGFLBCPLJ-BZUAXINKSA-N 2 1 296.455 2.430 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001172768102 815513642 /nfs/dbraw/zinc/51/36/42/815513642.db2.gz OIJBZUJKSGEBBR-KFWWJZLASA-N 2 1 282.428 2.182 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001172767978 815513799 /nfs/dbraw/zinc/51/37/99/815513799.db2.gz NFYSJVLLIYNWAN-RBSFLKMASA-N 2 1 282.428 2.040 20 0 CEADMP CC[C@H]1C[C@@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)CCO1 ZINC001170192705 812333888 /nfs/dbraw/zinc/33/38/88/812333888.db2.gz DVVRBDVQNOEKAJ-HOTGVXAUSA-N 2 1 289.423 2.289 20 0 CEADMP CC[C@H]1C[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)CCO1 ZINC001170234913 812349541 /nfs/dbraw/zinc/34/95/41/812349541.db2.gz JOPGGYFUKSOAJL-KGLIPLIRSA-N 2 1 263.385 2.480 20 0 CEADMP CC[C@H]1C[C@H]([NH+]2CCC([N@@H+](C)CC)CC2)CCO1 ZINC001170241700 812354217 /nfs/dbraw/zinc/35/42/17/812354217.db2.gz XJJVSEHVZIIRCU-CABCVRRESA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@H]1C[C@@H]([N@H+](C)C2CC[NH+](CC)CC2)CCO1 ZINC001170229597 812361630 /nfs/dbraw/zinc/36/16/30/812361630.db2.gz ZMWNKHBNBFBGAK-GJZGRUSLSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@H]1C[C@@H]([N@@H+](C)C2CC[NH+](CC)CC2)CCO1 ZINC001170229597 812361638 /nfs/dbraw/zinc/36/16/38/812361638.db2.gz ZMWNKHBNBFBGAK-GJZGRUSLSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccc(F)cn1 ZINC001254501598 812417487 /nfs/dbraw/zinc/41/74/87/812417487.db2.gz VWULRJQKRXPYMU-WCQYABFASA-N 2 1 251.349 2.356 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(F)cn1 ZINC001254501598 812417492 /nfs/dbraw/zinc/41/74/92/812417492.db2.gz VWULRJQKRXPYMU-WCQYABFASA-N 2 1 251.349 2.356 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC001254522018 812435816 /nfs/dbraw/zinc/43/58/16/812435816.db2.gz AVHQQHIWLSIARR-JKSUJKDBSA-N 2 1 265.445 2.031 20 0 CEADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052933745 812476313 /nfs/dbraw/zinc/47/63/13/812476313.db2.gz DYJOCCGSZFMJKT-MRXNPFEDSA-N 2 1 293.455 2.019 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001206575231 812494910 /nfs/dbraw/zinc/49/49/10/812494910.db2.gz VHOUNNZMLQHMAP-QGZVFWFLSA-N 3 1 273.424 2.241 20 0 CEADMP C[C@]1(C[NH3+])CCCCN(Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001206575231 812494914 /nfs/dbraw/zinc/49/49/14/812494914.db2.gz VHOUNNZMLQHMAP-QGZVFWFLSA-N 2 1 273.424 2.241 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130190014 812542625 /nfs/dbraw/zinc/54/26/25/812542625.db2.gz VFGSWEUAARNNQD-HZPDHXFCSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199526 812549301 /nfs/dbraw/zinc/54/93/01/812549301.db2.gz YXEWFGKHQCWMID-DOTOQJQBSA-N 2 1 295.471 2.051 20 0 CEADMP CC/C=C/CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130710783 812600407 /nfs/dbraw/zinc/60/04/07/812600407.db2.gz FBOYFTAFGVGXRK-JFDDCEBESA-N 2 1 295.471 2.169 20 0 CEADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@H]2C)C1 ZINC001170535292 812635026 /nfs/dbraw/zinc/63/50/26/812635026.db2.gz AOKQQAFPHQJNFT-APIJFGDWSA-N 2 1 282.428 2.037 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158411130 812690983 /nfs/dbraw/zinc/69/09/83/812690983.db2.gz AAHABOZNZYIBIK-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[C@H](CC)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001170579125 812708252 /nfs/dbraw/zinc/70/82/52/812708252.db2.gz PYTUTXZPPILARI-STQMWFEESA-N 2 1 258.406 2.073 20 0 CEADMP CO[C@H]1CCC[C@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C1 ZINC001172925124 815547593 /nfs/dbraw/zinc/54/75/93/815547593.db2.gz CYXRQUVGJQIMDY-GJZGRUSLSA-N 3 1 299.503 2.419 20 0 CEADMP CO[C@H]1CCC[C@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001172948205 815559099 /nfs/dbraw/zinc/55/90/99/815559099.db2.gz BVWWOSJLFAGOBZ-GJZGRUSLSA-N 2 1 252.402 2.114 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132432360 812847584 /nfs/dbraw/zinc/84/75/84/812847584.db2.gz CQQXTBVCMZEBGQ-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132432362 812847609 /nfs/dbraw/zinc/84/76/09/812847609.db2.gz CQQXTBVCMZEBGQ-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132518776 812871640 /nfs/dbraw/zinc/87/16/40/812871640.db2.gz NXTOXSFOUFSIIM-CVEARBPZSA-N 2 1 295.471 2.262 20 0 CEADMP CC(C)=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132518776 812871651 /nfs/dbraw/zinc/87/16/51/812871651.db2.gz NXTOXSFOUFSIIM-CVEARBPZSA-N 2 1 295.471 2.262 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132526263 812877133 /nfs/dbraw/zinc/87/71/33/812877133.db2.gz ZQVAYOKEJOOLDM-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133121332 812996747 /nfs/dbraw/zinc/99/67/47/812996747.db2.gz GRZZTFIQYCKTID-CABCVRRESA-N 2 1 297.487 2.058 20 0 CEADMP CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001133263555 813019926 /nfs/dbraw/zinc/01/99/26/813019926.db2.gz XNGYDZKYLOXNLG-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP C(C[N@@H+]1CCC[C@H](N2CCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000382625330 813089665 /nfs/dbraw/zinc/08/96/65/813089665.db2.gz HQNIOGZRVWEEMM-FBVQUNGASA-N 2 1 291.483 2.467 20 0 CEADMP C(C[N@H+]1CCC[C@H](N2CCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000382625330 813089671 /nfs/dbraw/zinc/08/96/71/813089671.db2.gz HQNIOGZRVWEEMM-FBVQUNGASA-N 2 1 291.483 2.467 20 0 CEADMP CNc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ncn1 ZINC000382906229 813092309 /nfs/dbraw/zinc/09/23/09/813092309.db2.gz AGLRICSSPKNFAW-CQSZACIVSA-N 2 1 297.406 2.229 20 0 CEADMP C[C@H]([NH2+]CCSC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000386588232 813182972 /nfs/dbraw/zinc/18/29/72/813182972.db2.gz QQKIJFROHQKMGW-DTWKUNHWSA-N 2 1 256.337 2.360 20 0 CEADMP C[N@H+](Cc1ccccc1)C1(CNC(=[NH2+])NC2CC2)CCC1 ZINC000386595972 813184115 /nfs/dbraw/zinc/18/41/15/813184115.db2.gz XXRFKRURRALLRK-UHFFFAOYSA-N 2 1 286.423 2.317 20 0 CEADMP C[N@@H+](Cc1ccccc1)C1(CNC(=[NH2+])NC2CC2)CCC1 ZINC000386595972 813184116 /nfs/dbraw/zinc/18/41/16/813184116.db2.gz XXRFKRURRALLRK-UHFFFAOYSA-N 2 1 286.423 2.317 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCc2ncsc2C1 ZINC001173142502 815602412 /nfs/dbraw/zinc/60/24/12/815602412.db2.gz WGAKAALVJJVVSD-GFCCVEGCSA-N 2 1 267.442 2.274 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000390510632 813265721 /nfs/dbraw/zinc/26/57/21/813265721.db2.gz TUYJFZMEBCATHB-SJORKVTESA-N 2 1 299.418 2.211 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000390510632 813265728 /nfs/dbraw/zinc/26/57/28/813265728.db2.gz TUYJFZMEBCATHB-SJORKVTESA-N 2 1 299.418 2.211 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000390510632 813265732 /nfs/dbraw/zinc/26/57/32/813265732.db2.gz TUYJFZMEBCATHB-SJORKVTESA-N 2 1 299.418 2.211 20 0 CEADMP CC(C)NC(=[NH2+])NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000390795658 813270629 /nfs/dbraw/zinc/27/06/29/813270629.db2.gz ZYFHDGNKXMCBRM-KRWDZBQOSA-N 2 1 288.439 2.421 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(C)C ZINC001134772492 813323460 /nfs/dbraw/zinc/32/34/60/813323460.db2.gz FANQBABHSAEGKV-ZIAGYGMSSA-N 2 1 285.476 2.246 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071870987 813503297 /nfs/dbraw/zinc/50/32/97/813503297.db2.gz FIFJYHUVMRQUGF-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC ZINC001135691635 813504405 /nfs/dbraw/zinc/50/44/05/813504405.db2.gz XUHYLTMMMIEVMQ-GJZGRUSLSA-N 2 1 285.476 2.391 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC ZINC001135691634 813504839 /nfs/dbraw/zinc/50/48/39/813504839.db2.gz XUHYLTMMMIEVMQ-CABCVRRESA-N 2 1 285.476 2.391 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC1 ZINC001135861446 813550521 /nfs/dbraw/zinc/55/05/21/813550521.db2.gz RCJPTHBDOXDQHG-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@H]1CN(C[C@H]([NH3+])CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000396354037 813565419 /nfs/dbraw/zinc/56/54/19/813565419.db2.gz ZVCINTOIFGROPM-DZGCQCFKSA-N 2 1 297.393 2.175 20 0 CEADMP C[C@H](CN[C@H]1CCC[NH2+][C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000396575189 813575334 /nfs/dbraw/zinc/57/53/34/813575334.db2.gz CFKROILBVYRBEK-VYDXJSESSA-N 2 1 275.440 2.237 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CC1 ZINC001135995650 813583367 /nfs/dbraw/zinc/58/33/67/813583367.db2.gz JCSLYRXGTOXBEO-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000397287074 813609368 /nfs/dbraw/zinc/60/93/68/813609368.db2.gz VJHLCCPNNLOPOQ-BFJAYTPKSA-N 2 1 262.397 2.025 20 0 CEADMP C1CCC([N@H+]2CCC[C@@H](N[C@@H]3CCCC[NH2+]C3)C2)C1 ZINC001246090662 813678976 /nfs/dbraw/zinc/67/89/76/813678976.db2.gz LOTBRDXMRHWMKA-HUUCEWRRSA-N 2 1 265.445 2.125 20 0 CEADMP CC[C@@H]1CC([NH2+][C@@]2(C)CCC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246111544 813703131 /nfs/dbraw/zinc/70/31/31/813703131.db2.gz JDSXXGXISFNXRY-FMKPAKJESA-N 3 1 267.461 2.417 20 0 CEADMP COC(=O)c1ccc(C(=[NH2+])Nc2cc(C)[nH+]c(C)c2)cc1 ZINC001170985182 813721281 /nfs/dbraw/zinc/72/12/81/813721281.db2.gz MDXYGVLVLGWVOX-UHFFFAOYSA-N 2 1 283.331 2.344 20 0 CEADMP CCCCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@H]1C(=O)OCC ZINC001246198744 813728784 /nfs/dbraw/zinc/72/87/84/813728784.db2.gz FMOLNXMCRTZQBJ-ZNMIVQPWSA-N 2 1 284.444 2.476 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C)C1 ZINC001246208861 813730430 /nfs/dbraw/zinc/73/04/30/813730430.db2.gz VPLPEEFZDXRFNX-XQQFMLRXSA-N 2 1 270.417 2.214 20 0 CEADMP Fc1cccc2c1C[C@H]([N@H+]1CCc3[nH+]ccn3CC1)CC2 ZINC001171006831 813740387 /nfs/dbraw/zinc/74/03/87/813740387.db2.gz ZUVVDQPBOVWHRC-CQSZACIVSA-N 2 1 285.366 2.438 20 0 CEADMP Fc1cccc2c1C[C@H]([N@@H+]1CCc3[nH+]ccn3CC1)CC2 ZINC001171006831 813740391 /nfs/dbraw/zinc/74/03/91/813740391.db2.gz ZUVVDQPBOVWHRC-CQSZACIVSA-N 2 1 285.366 2.438 20 0 CEADMP CCCC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]1 ZINC001246228729 813741049 /nfs/dbraw/zinc/74/10/49/813741049.db2.gz IWUKZVKZLDYSGO-MCIONIFRSA-N 3 1 289.414 2.132 20 0 CEADMP NC[C@@H]1CCCC[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246543183 813963550 /nfs/dbraw/zinc/96/35/50/813963550.db2.gz SHNAHJGXOMMBJJ-PCKAHOCUSA-N 2 1 265.445 2.112 20 0 CEADMP [NH3+]C[C@@H]1CCCCN1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246543183 813963558 /nfs/dbraw/zinc/96/35/58/813963558.db2.gz SHNAHJGXOMMBJJ-PCKAHOCUSA-N 2 1 265.445 2.112 20 0 CEADMP C[N@H+](Cc1[nH]nc2ccc(F)cc21)CC1CC[NH+](C)CC1 ZINC001144197507 813983850 /nfs/dbraw/zinc/98/38/50/813983850.db2.gz SOJAUFNAGXDPDV-UHFFFAOYSA-N 2 1 290.386 2.476 20 0 CEADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246549570 813998891 /nfs/dbraw/zinc/99/88/91/813998891.db2.gz MMXOGGHDUHWERY-XHSDSOJGSA-N 3 1 283.435 2.062 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246550351 814003595 /nfs/dbraw/zinc/00/35/95/814003595.db2.gz OELATIJHORIGBK-YCPHGPKFSA-N 3 1 285.451 2.306 20 0 CEADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)([NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246554019 814019856 /nfs/dbraw/zinc/01/98/56/814019856.db2.gz ULRMIUYZZPBSDO-QKPAOTATSA-N 3 1 267.461 2.499 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246554019 814019864 /nfs/dbraw/zinc/01/98/64/814019864.db2.gz ULRMIUYZZPBSDO-QKPAOTATSA-N 3 1 267.461 2.499 20 0 CEADMP C[C@H]1CC[C@H](C[NH3+])N(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001246555764 814030461 /nfs/dbraw/zinc/03/04/61/814030461.db2.gz HTKFRIRVKDTVSU-FIZKIRAISA-N 2 1 265.445 2.061 20 0 CEADMP CC(C)CCC[C@H](C)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246557330 814033960 /nfs/dbraw/zinc/03/39/60/814033960.db2.gz IAMFSBBFOIZMLP-LSDHHAIUSA-N 2 1 256.434 2.377 20 0 CEADMP CCOC1CCC([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001246561843 814049159 /nfs/dbraw/zinc/04/91/59/814049159.db2.gz XDBMYEFOZKHMEK-HIFPTAJRSA-N 2 1 276.371 2.250 20 0 CEADMP CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001091112045 814069835 /nfs/dbraw/zinc/06/98/35/814069835.db2.gz IICZENREZIZMHR-UYSNPLJNSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246571313 814093414 /nfs/dbraw/zinc/09/34/14/814093414.db2.gz BBSKBOMZZXHGOS-QKPAOTATSA-N 3 1 265.445 2.110 20 0 CEADMP CC(C)CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100408196 814109027 /nfs/dbraw/zinc/10/90/27/814109027.db2.gz XZISXZOZENQQCP-UHFFFAOYSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001100446279 814127379 /nfs/dbraw/zinc/12/73/79/814127379.db2.gz XZKCFSVYURSVKC-UYSNPLJNSA-N 2 1 295.471 2.001 20 0 CEADMP CC[NH+]1CCC(N(C)Cc2[nH+]cn3ccccc23)CC1 ZINC001144623407 814132953 /nfs/dbraw/zinc/13/29/53/814132953.db2.gz VEBUWAJRCNAIQC-UHFFFAOYSA-N 2 1 272.396 2.250 20 0 CEADMP COC(=O)C1CCC([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001246581655 814154366 /nfs/dbraw/zinc/15/43/66/814154366.db2.gz ZRIYRKSXNSWBCT-ZBCRRDGASA-N 2 1 282.428 2.169 20 0 CEADMP CCCC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001100681065 814169991 /nfs/dbraw/zinc/16/99/91/814169991.db2.gz ULGRHPRLBSUMFF-UHFFFAOYSA-N 2 1 295.471 2.003 20 0 CEADMP COc1ccc(Cl)c2c1C[C@@H]([N@@H+](C)CCC[NH3+])CC2 ZINC001246681694 814256094 /nfs/dbraw/zinc/25/60/94/814256094.db2.gz PSIRJFSNOWWXEL-NSHDSACASA-N 2 1 282.815 2.487 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246864602 814303522 /nfs/dbraw/zinc/30/35/22/814303522.db2.gz UQAYPJFPDHZESJ-ZIAGYGMSSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246864602 814303529 /nfs/dbraw/zinc/30/35/29/814303529.db2.gz UQAYPJFPDHZESJ-ZIAGYGMSSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@H]1C[C@H]([N@@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246864601 814304255 /nfs/dbraw/zinc/30/42/55/814304255.db2.gz UQAYPJFPDHZESJ-UONOGXRCSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@H]1C[C@H]([N@H+]2CCOC3(CCCCC3)C2)CC[NH2+]1 ZINC001246864601 814304264 /nfs/dbraw/zinc/30/42/64/814304264.db2.gz UQAYPJFPDHZESJ-UONOGXRCSA-N 2 1 252.402 2.162 20 0 CEADMP CC(C)CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601344 814399445 /nfs/dbraw/zinc/39/94/45/814399445.db2.gz YSGFMJWJNMSZKQ-HZPDHXFCSA-N 2 1 297.487 2.057 20 0 CEADMP CC(C)CC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601344 814399451 /nfs/dbraw/zinc/39/94/51/814399451.db2.gz YSGFMJWJNMSZKQ-HZPDHXFCSA-N 2 1 297.487 2.057 20 0 CEADMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](C(C)C)C[C@H]1C)[NH+](C)C ZINC001103113580 814471502 /nfs/dbraw/zinc/47/15/02/814471502.db2.gz PPFTUFVLJCIRBH-OAGGEKHMSA-N 2 1 297.487 2.055 20 0 CEADMP CC(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398434 814498507 /nfs/dbraw/zinc/49/85/07/814498507.db2.gz RWWQMKBRHGIBKG-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CCCCC[N@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148469226 814565172 /nfs/dbraw/zinc/56/51/72/814565172.db2.gz FSAFRIXRCAKUJG-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001148655231 814595170 /nfs/dbraw/zinc/59/51/70/814595170.db2.gz KJSQSOJKYXZRCK-OAHLLOKOSA-N 2 1 291.439 2.104 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ccccc1C ZINC001148638714 814599116 /nfs/dbraw/zinc/59/91/16/814599116.db2.gz OKQTZFSOZIVHOK-OAHLLOKOSA-N 2 1 291.439 2.104 20 0 CEADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111875063 814623291 /nfs/dbraw/zinc/62/32/91/814623291.db2.gz PHYVIQRLNOWEGI-ZOBUZTSGSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H]2CO)CC1 ZINC001173108320 815582095 /nfs/dbraw/zinc/58/20/95/815582095.db2.gz BJLLARDTOKVXLC-YMAMQOFZSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@](C)(O)C2)CC1 ZINC001173110475 815582219 /nfs/dbraw/zinc/58/22/19/815582219.db2.gz SXCJXZCBWBVORR-NRXISQOPSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC3(COC3)C2)CC1 ZINC001173109323 815583010 /nfs/dbraw/zinc/58/30/10/815583010.db2.gz GUNOCAJKDMEQIP-UHFFFAOYSA-N 2 1 266.429 2.362 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CCCC(=O)C2)CC1 ZINC001173114423 815583926 /nfs/dbraw/zinc/58/39/26/815583926.db2.gz JKIRIRGMUXCPSD-UHFFFAOYSA-N 2 1 252.402 2.304 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCCC(=O)C2)CC1 ZINC001173114423 815583929 /nfs/dbraw/zinc/58/39/29/815583929.db2.gz JKIRIRGMUXCPSD-UHFFFAOYSA-N 2 1 252.402 2.304 20 0 CEADMP C([C@@H]1CCC2(CCC2)O1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000712377261 814741493 /nfs/dbraw/zinc/74/14/93/814741493.db2.gz OJBQPMLPUBRNSF-AWEZNQCLSA-N 2 1 264.413 2.164 20 0 CEADMP CCC[N@H+]1CCCC[C@@H]1C(=O)OCCC[NH+]1CCCC1 ZINC001116918472 814891501 /nfs/dbraw/zinc/89/15/01/814891501.db2.gz AMTUMUAUGUDTQD-OAHLLOKOSA-N 2 1 282.428 2.280 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@@H]2CCCC(C)(C)O2)[C@H]1C[NH3+] ZINC000714379995 814891953 /nfs/dbraw/zinc/89/19/53/814891953.db2.gz MSDAZSYLYPWCMP-RDBSUJKOSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)O2)[C@H]1C[NH3+] ZINC000714379995 814891958 /nfs/dbraw/zinc/89/19/58/814891958.db2.gz MSDAZSYLYPWCMP-RDBSUJKOSA-N 2 1 254.418 2.393 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)O1 ZINC000714320496 814893816 /nfs/dbraw/zinc/89/38/16/814893816.db2.gz KBSIBISWTYJKPR-RBSFLKMASA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]1C[C@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)CCO1 ZINC001173171516 815622199 /nfs/dbraw/zinc/62/21/99/815622199.db2.gz ZKZKWINVZCDXSC-RRFJBIMHSA-N 2 1 254.418 2.395 20 0 CEADMP CCSC[C@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173294824 815654457 /nfs/dbraw/zinc/65/44/57/815654457.db2.gz ICKUWFRJXWNLDG-AVGNSLFASA-N 2 1 272.458 2.099 20 0 CEADMP CC[C@H]1CC[C@H]([N@H+]2C[C@@H]3CN(CC)CCO[C@@H]3C2)C1 ZINC001173277270 815666534 /nfs/dbraw/zinc/66/65/34/815666534.db2.gz DXCKLJONSXXZKJ-YHUYYLMFSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@H]1CC[C@H]([N@@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)C1 ZINC001173277270 815666539 /nfs/dbraw/zinc/66/65/39/815666539.db2.gz DXCKLJONSXXZKJ-YHUYYLMFSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@H]1CC[C@H]([N@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)C1 ZINC001173277270 815666544 /nfs/dbraw/zinc/66/65/44/815666544.db2.gz DXCKLJONSXXZKJ-YHUYYLMFSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@H]1CC[C@H]([NH+]2C[C@@H]3C[N@H+](CC)CCO[C@@H]3C2)C1 ZINC001173277270 815666550 /nfs/dbraw/zinc/66/65/50/815666550.db2.gz DXCKLJONSXXZKJ-YHUYYLMFSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@H]1CC[C@H]([NH+]2C[C@@H]3C[N@@H+](CC)CCO[C@@H]3C2)C1 ZINC001173277270 815666558 /nfs/dbraw/zinc/66/65/58/815666558.db2.gz DXCKLJONSXXZKJ-YHUYYLMFSA-N 2 1 266.429 2.218 20 0 CEADMP CC[N@H+]1CC[C@H](n2c3ccccc3nc2[C@@H](C)[NH3+])C1 ZINC001173347892 815683908 /nfs/dbraw/zinc/68/39/08/815683908.db2.gz ICJKCQBBQGAQSR-NEPJUHHUSA-N 2 1 258.369 2.323 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC001173360953 815700970 /nfs/dbraw/zinc/70/09/70/815700970.db2.gz BCWLTZSXLHUTJJ-AEFFLSMTSA-N 2 1 287.451 2.459 20 0 CEADMP CC[N@H+]1CC[C@@H](n2ccc3c2cccc3N2CC[NH2+]CC2)C1 ZINC001173365481 815703478 /nfs/dbraw/zinc/70/34/78/815703478.db2.gz IXCJARURAZFSGC-OAHLLOKOSA-N 2 1 298.434 2.318 20 0 CEADMP CC[N@H+]1CC[C@@H](n2ccc3cc(N4CC[NH2+]CC4)ccc32)C1 ZINC001173369494 815708166 /nfs/dbraw/zinc/70/81/66/815708166.db2.gz WVSLICHQCKPNBR-QGZVFWFLSA-N 2 1 298.434 2.318 20 0 CEADMP CCCC[NH+]1CCC(N(C)[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001173374341 815709559 /nfs/dbraw/zinc/70/95/59/815709559.db2.gz KYFGECCQOYDRRS-MRXNPFEDSA-N 2 1 267.461 2.277 20 0 CEADMP CCCC[NH+]1CCC(N(C)[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001173374340 815709702 /nfs/dbraw/zinc/70/97/02/815709702.db2.gz KYFGECCQOYDRRS-INIZCTEOSA-N 2 1 267.461 2.277 20 0 CEADMP Cc1[nH+]cc(Nc2ccc(C[NH+]3CCOCC3)cc2)n1C ZINC001174446038 816002961 /nfs/dbraw/zinc/00/29/61/816002961.db2.gz XITNVRBQABSEIW-UHFFFAOYSA-N 2 1 286.379 2.304 20 0 CEADMP Cc1cc(O)cc(C)c1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001139710055 816091939 /nfs/dbraw/zinc/09/19/39/816091939.db2.gz NAVKLTFQQHWTMJ-CABCVRRESA-N 2 1 274.408 2.393 20 0 CEADMP Cc1cc(O)cc(C)c1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001139710055 816091944 /nfs/dbraw/zinc/09/19/44/816091944.db2.gz NAVKLTFQQHWTMJ-CABCVRRESA-N 2 1 274.408 2.393 20 0 CEADMP Cc1cc(O)cc(C)c1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001139710055 816091949 /nfs/dbraw/zinc/09/19/49/816091949.db2.gz NAVKLTFQQHWTMJ-CABCVRRESA-N 2 1 274.408 2.393 20 0 CEADMP CCC[N@@H+]1C[C@H]2CN(Cc3cnc4cccnc4c3)C[C@H]2C1 ZINC001139745508 816104860 /nfs/dbraw/zinc/10/48/60/816104860.db2.gz KFXWSTSLJVABSR-IYBDPMFKSA-N 2 1 296.418 2.403 20 0 CEADMP COCc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)s1 ZINC001139830393 816121162 /nfs/dbraw/zinc/12/11/62/816121162.db2.gz AMQOBJSLBFPXQI-HNNXBMFYSA-N 2 1 280.437 2.422 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)s1 ZINC001139830393 816121168 /nfs/dbraw/zinc/12/11/68/816121168.db2.gz AMQOBJSLBFPXQI-HNNXBMFYSA-N 2 1 280.437 2.422 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)s1 ZINC001139830393 816121173 /nfs/dbraw/zinc/12/11/73/816121173.db2.gz AMQOBJSLBFPXQI-HNNXBMFYSA-N 2 1 280.437 2.422 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)s1 ZINC001139830393 816121179 /nfs/dbraw/zinc/12/11/79/816121179.db2.gz AMQOBJSLBFPXQI-HNNXBMFYSA-N 2 1 280.437 2.422 20 0 CEADMP Cn1ncc2cc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)ccc21 ZINC001139952433 816149636 /nfs/dbraw/zinc/14/96/36/816149636.db2.gz LHXPRSIKGLRNKP-UHFFFAOYSA-N 2 1 298.434 2.491 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4c(cnn4C)c3)C[C@@H]2C1 ZINC001139957669 816150853 /nfs/dbraw/zinc/15/08/53/816150853.db2.gz OCFKEUOZGDQATI-IRXDYDNUSA-N 2 1 298.434 2.347 20 0 CEADMP CC(C)N1CCOC[C@@]2(CCC[N@H+](Cc3cc[nH]c3)C2)C1 ZINC001140706748 816329534 /nfs/dbraw/zinc/32/95/34/816329534.db2.gz JYQMZEZSEZMWHO-QGZVFWFLSA-N 2 1 291.439 2.338 20 0 CEADMP CC(C)N1CCOC[C@@]2(CCC[N@@H+](Cc3cc[nH]c3)C2)C1 ZINC001140706748 816329543 /nfs/dbraw/zinc/32/95/43/816329543.db2.gz JYQMZEZSEZMWHO-QGZVFWFLSA-N 2 1 291.439 2.338 20 0 CEADMP CC(=O)N1CCC([N@@H+](C)Cc2c[nH]c3ccncc23)CC1 ZINC001140806445 816368732 /nfs/dbraw/zinc/36/87/32/816368732.db2.gz HVLRAKNCVJALQA-UHFFFAOYSA-N 2 1 286.379 2.006 20 0 CEADMP CC(=O)N1CCC([N@H+](C)Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140806445 816368756 /nfs/dbraw/zinc/36/87/56/816368756.db2.gz HVLRAKNCVJALQA-UHFFFAOYSA-N 2 1 286.379 2.006 20 0 CEADMP CC(=O)N1CCC([N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140806445 816368764 /nfs/dbraw/zinc/36/87/64/816368764.db2.gz HVLRAKNCVJALQA-UHFFFAOYSA-N 2 1 286.379 2.006 20 0 CEADMP C[C@H]1CC[N@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140969997 816428146 /nfs/dbraw/zinc/42/81/46/816428146.db2.gz BTQKNBLLVIMUKE-AWEZNQCLSA-N 2 1 259.397 2.033 20 0 CEADMP C[C@H]1CCC[N@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140969224 816428229 /nfs/dbraw/zinc/42/82/29/816428229.db2.gz ZQICGIRYFCKECN-HNNXBMFYSA-N 2 1 273.424 2.423 20 0 CEADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001176752898 816473767 /nfs/dbraw/zinc/47/37/67/816473767.db2.gz AUNJECAEBHHEEN-OAHLLOKOSA-N 2 1 297.487 2.391 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001176975015 816502432 /nfs/dbraw/zinc/50/24/32/816502432.db2.gz HDOJVMQVQVTOLA-UHFFFAOYSA-N 2 1 295.471 2.313 20 0 CEADMP CC[C@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176987000 816503574 /nfs/dbraw/zinc/50/35/74/816503574.db2.gz YYJDHLSOFNQUSA-GJZGRUSLSA-N 2 1 283.460 2.003 20 0 CEADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@@H+](C)CC ZINC001177455518 816561508 /nfs/dbraw/zinc/56/15/08/816561508.db2.gz AKOUYHGJRSUFGI-UHFFFAOYSA-N 2 1 297.487 2.347 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001178045144 816663543 /nfs/dbraw/zinc/66/35/43/816663543.db2.gz DXCVFBDGTGYYLA-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(CCO)cc2)CC1 ZINC001206318156 816687589 /nfs/dbraw/zinc/68/75/89/816687589.db2.gz NMESRRZIFPEAFN-QGZVFWFLSA-N 2 1 276.424 2.172 20 0 CEADMP c1nc(-c2ccncc2)sc1C[NH2+]CCC[NH+]1CCC1 ZINC001178398341 816730130 /nfs/dbraw/zinc/73/01/30/816730130.db2.gz NMABTVXPXYUJBP-UHFFFAOYSA-N 2 1 288.420 2.391 20 0 CEADMP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001178902205 816812622 /nfs/dbraw/zinc/81/26/22/816812622.db2.gz FOMMBRVLGDDFPK-YCPHGPKFSA-N 2 1 295.471 2.096 20 0 CEADMP CCCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001178902177 816812996 /nfs/dbraw/zinc/81/29/96/816812996.db2.gz DJBMJDNNZYKXBX-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH2+]CCCCCCNC(=O)Cn1c[nH+]cc1C ZINC001179026396 816824209 /nfs/dbraw/zinc/82/42/09/816824209.db2.gz ZOMXYCYYUCTRFI-UHFFFAOYSA-N 2 1 294.443 2.258 20 0 CEADMP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001179534585 816869887 /nfs/dbraw/zinc/86/98/87/816869887.db2.gz PJKGYRIGLAJPKT-PMPSAXMXSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001179590249 816880929 /nfs/dbraw/zinc/88/09/29/816880929.db2.gz FOLXFRVUSYDALS-JKSUJKDBSA-N 2 1 297.487 2.106 20 0 CEADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001179590247 816881076 /nfs/dbraw/zinc/88/10/76/816881076.db2.gz FOLXFRVUSYDALS-HOTGVXAUSA-N 2 1 297.487 2.106 20 0 CEADMP CCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001179590975 816881702 /nfs/dbraw/zinc/88/17/02/816881702.db2.gz NHHIVJUKYOTEHB-CVEARBPZSA-N 2 1 297.487 2.250 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)Cc2ccccc2)[C@@H](C)C1 ZINC000294954658 199267763 /nfs/dbraw/zinc/26/77/63/199267763.db2.gz MTXDBWJFMDQPON-CGTJXYLNSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)Cc2ccccc2)[C@@H](C)C1 ZINC000294954658 199267764 /nfs/dbraw/zinc/26/77/64/199267764.db2.gz MTXDBWJFMDQPON-CGTJXYLNSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)Cc2ccccc2)[C@@H](C)C1 ZINC000294954658 199267765 /nfs/dbraw/zinc/26/77/65/199267765.db2.gz MTXDBWJFMDQPON-CGTJXYLNSA-N 2 1 290.451 2.252 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC23CCC3)CCCO1 ZINC000337398142 214054577 /nfs/dbraw/zinc/05/45/77/214054577.db2.gz CHUDIEITNCFSCF-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC23CCC3)CCCO1 ZINC000337398142 214054578 /nfs/dbraw/zinc/05/45/78/214054578.db2.gz CHUDIEITNCFSCF-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@@H]1OC(F)F ZINC000337417542 214070453 /nfs/dbraw/zinc/07/04/53/214070453.db2.gz PTSQFJSRIWVWRR-RYUDHWBXSA-N 2 1 273.327 2.332 20 0 CEADMP COCC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000449093473 282098088 /nfs/dbraw/zinc/09/80/88/282098088.db2.gz XMDQVENBGMTRRJ-FJBKBRRZSA-N 2 1 266.429 2.408 20 0 CEADMP CC(=O)c1ccc2c(c1)CC[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000336285542 365546619 /nfs/dbraw/zinc/54/66/19/365546619.db2.gz KFJVUDSZMXVSLW-UHFFFAOYSA-N 2 1 286.419 2.289 20 0 CEADMP Cn1cc(-c2ccc(C[NH2+]CCC[NH+]3CCC3)s2)cn1 ZINC000567626559 299068485 /nfs/dbraw/zinc/06/84/85/299068485.db2.gz PVYJEPWXHYFXQM-UHFFFAOYSA-N 2 1 290.436 2.334 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCC(C)(C)O3)C2)C1 ZINC000336440662 365576836 /nfs/dbraw/zinc/57/68/36/365576836.db2.gz HJSZUQPPWFRWNQ-GDBMZVCRSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CCC(C)(C)O3)C2)C1 ZINC000336440662 365576843 /nfs/dbraw/zinc/57/68/43/365576843.db2.gz HJSZUQPPWFRWNQ-GDBMZVCRSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3CCC(C)(C)O3)C2)C1 ZINC000336440662 365576847 /nfs/dbraw/zinc/57/68/47/365576847.db2.gz HJSZUQPPWFRWNQ-GDBMZVCRSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000449108230 282103294 /nfs/dbraw/zinc/10/32/94/282103294.db2.gz SWCGXMKNGDKUBF-CQSZACIVSA-N 2 1 289.423 2.147 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000337523788 214138613 /nfs/dbraw/zinc/13/86/13/214138613.db2.gz QRKRJLCWAOSZCM-GVDBMIGSSA-N 2 1 298.471 2.018 20 0 CEADMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000449134915 282113656 /nfs/dbraw/zinc/11/36/56/282113656.db2.gz MGPQSLLUGSSJLE-CVEARBPZSA-N 2 1 295.471 2.132 20 0 CEADMP [NH3+][C@H]1C[C@@H](N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000567653726 299071182 /nfs/dbraw/zinc/07/11/82/299071182.db2.gz MGGMPVWFJDQCSH-MWDXBVQZSA-N 2 1 271.408 2.109 20 0 CEADMP CC(C)CN(C(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000123658118 365640720 /nfs/dbraw/zinc/64/07/20/365640720.db2.gz FTCYDWLQXKSUEQ-HZPDHXFCSA-N 2 1 297.487 2.294 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC000336561936 365647562 /nfs/dbraw/zinc/64/75/62/365647562.db2.gz WLUMFYVPFKWOEE-HOTGVXAUSA-N 2 1 294.826 2.374 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC000336561936 365647571 /nfs/dbraw/zinc/64/75/71/365647571.db2.gz WLUMFYVPFKWOEE-HOTGVXAUSA-N 2 1 294.826 2.374 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000125374914 365673584 /nfs/dbraw/zinc/67/35/84/365673584.db2.gz DRHPCNUQJZOMSM-GUTXKFCHSA-N 2 1 278.371 2.394 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000125575199 365678274 /nfs/dbraw/zinc/67/82/74/365678274.db2.gz XWXCSAXBCJXLHJ-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000125575199 365678280 /nfs/dbraw/zinc/67/82/80/365678280.db2.gz XWXCSAXBCJXLHJ-PMPSAXMXSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000125575199 365678284 /nfs/dbraw/zinc/67/82/84/365678284.db2.gz XWXCSAXBCJXLHJ-PMPSAXMXSA-N 3 1 267.461 2.181 20 0 CEADMP CCOc1cncc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000621329998 349562990 /nfs/dbraw/zinc/56/29/90/349562990.db2.gz WDAAVAIFKUUCIB-UHFFFAOYSA-N 2 1 289.423 2.444 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CSC[C@@H]2C)CC1 ZINC000449180721 282133163 /nfs/dbraw/zinc/13/31/63/282133163.db2.gz BQFZDFRLQLIONU-ZFWWWQNUSA-N 2 1 286.485 2.217 20 0 CEADMP COCCCOc1cccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000337746234 214243062 /nfs/dbraw/zinc/24/30/62/214243062.db2.gz GNKBRSJMIXSCPC-KRWDZBQOSA-N 2 1 292.423 2.273 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000279668278 282147824 /nfs/dbraw/zinc/14/78/24/282147824.db2.gz FIPBNIRUEPQFBW-MRXNPFEDSA-N 2 1 287.407 2.314 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000337949176 214326946 /nfs/dbraw/zinc/32/69/46/214326946.db2.gz FKZJEGMRGXPJGX-GJZGRUSLSA-N 2 1 265.401 2.375 20 0 CEADMP CCOc1cc(C[NH2+]C2CC[NH+](CC)CC2)ccc1O ZINC000037976738 361969255 /nfs/dbraw/zinc/96/92/55/361969255.db2.gz AFJSRYWTIYKLBQ-UHFFFAOYSA-N 2 1 278.396 2.365 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337995924 214351494 /nfs/dbraw/zinc/35/14/94/214351494.db2.gz XVQFLPBBVMCZRB-HOCLYGCPSA-N 2 1 286.435 2.341 20 0 CEADMP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000449245142 282157315 /nfs/dbraw/zinc/15/73/15/282157315.db2.gz YSFKMNAFULBVHZ-DYVFJYSZSA-N 2 1 288.391 2.020 20 0 CEADMP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000449245142 282157316 /nfs/dbraw/zinc/15/73/16/282157316.db2.gz YSFKMNAFULBVHZ-DYVFJYSZSA-N 2 1 288.391 2.020 20 0 CEADMP Cc1nc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cs1 ZINC000125526354 187189496 /nfs/dbraw/zinc/18/94/96/187189496.db2.gz ADWIAPYOYDSQSG-UKRRQHHQSA-N 2 1 279.453 2.410 20 0 CEADMP Cc1nc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cs1 ZINC000125526354 187189497 /nfs/dbraw/zinc/18/94/97/187189497.db2.gz ADWIAPYOYDSQSG-UKRRQHHQSA-N 2 1 279.453 2.410 20 0 CEADMP Cc1nc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cs1 ZINC000125526354 187189498 /nfs/dbraw/zinc/18/94/98/187189498.db2.gz ADWIAPYOYDSQSG-UKRRQHHQSA-N 2 1 279.453 2.410 20 0 CEADMP C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N(C)C ZINC000078713487 539175158 /nfs/dbraw/zinc/17/51/58/539175158.db2.gz BJIYEZKDJWCONY-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[N@H+](C)CC2CN(C)C2)c1 ZINC000668540194 539193962 /nfs/dbraw/zinc/19/39/62/539193962.db2.gz ZIHMNHZNMBDGEE-UHFFFAOYSA-N 2 1 284.407 2.379 20 0 CEADMP COCC[N@@H+]1CC[C@@H](Nc2[nH+]ccc(C)c2C2CC2)C1 ZINC000668511888 539187060 /nfs/dbraw/zinc/18/70/60/539187060.db2.gz MAGANWLCCIIIAF-CQSZACIVSA-N 2 1 275.396 2.400 20 0 CEADMP COCC[N@H+]1CC[C@@H](Nc2[nH+]ccc(C)c2C2CC2)C1 ZINC000668511888 539187062 /nfs/dbraw/zinc/18/70/62/539187062.db2.gz MAGANWLCCIIIAF-CQSZACIVSA-N 2 1 275.396 2.400 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000125843848 187202612 /nfs/dbraw/zinc/20/26/12/187202612.db2.gz PKNDXKBDRBYKAH-UONOGXRCSA-N 2 1 264.417 2.191 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000125843848 187202613 /nfs/dbraw/zinc/20/26/13/187202613.db2.gz PKNDXKBDRBYKAH-UONOGXRCSA-N 2 1 264.417 2.191 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C(C)C ZINC000125928857 187205385 /nfs/dbraw/zinc/20/53/85/187205385.db2.gz XGRYMRPDIXBWKN-LSDHHAIUSA-N 2 1 256.434 2.367 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccn1 ZINC000621776228 349698636 /nfs/dbraw/zinc/69/86/36/349698636.db2.gz GMLYQFLNTGABCD-ZACQAIPSSA-N 2 1 289.423 2.251 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621782239 349701657 /nfs/dbraw/zinc/70/16/57/349701657.db2.gz NYMQPQHYHHJLEQ-ZBFHGGJFSA-N 2 1 259.397 2.066 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621782239 349701662 /nfs/dbraw/zinc/70/16/62/349701662.db2.gz NYMQPQHYHHJLEQ-ZBFHGGJFSA-N 2 1 259.397 2.066 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1)C1CCCC1 ZINC000621784428 349701681 /nfs/dbraw/zinc/70/16/81/349701681.db2.gz OSVPJJFLHUSSOJ-RBSFLKMASA-N 2 1 252.402 2.005 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCCOCc1ccccc1)C2 ZINC000621784147 349701853 /nfs/dbraw/zinc/70/18/53/349701853.db2.gz KQUNZISGLOPTDW-DLBZAZTESA-N 2 1 274.408 2.407 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000621775170 349697502 /nfs/dbraw/zinc/69/75/02/349697502.db2.gz ICDQBUXVQREVCL-CVEARBPZSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000621775170 349697504 /nfs/dbraw/zinc/69/75/04/349697504.db2.gz ICDQBUXVQREVCL-CVEARBPZSA-N 2 1 259.397 2.354 20 0 CEADMP CCn1cc(CC[N@@H+](CCC[NH3+])Cc2ccccc2)cn1 ZINC000621775202 349697767 /nfs/dbraw/zinc/69/77/67/349697767.db2.gz IQTCRMMSUMJCOH-UHFFFAOYSA-N 2 1 286.423 2.297 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449343784 282194071 /nfs/dbraw/zinc/19/40/71/282194071.db2.gz NACAMTGBWRQYRH-QKPAOTATSA-N 2 1 295.471 2.273 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000401740416 539254393 /nfs/dbraw/zinc/25/43/93/539254393.db2.gz GDVWLSVVNRGOQD-UHFFFAOYSA-N 2 1 269.270 2.170 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000622133689 349800243 /nfs/dbraw/zinc/80/02/43/349800243.db2.gz GUSHGOVQYUFLLR-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000622133689 349800245 /nfs/dbraw/zinc/80/02/45/349800245.db2.gz GUSHGOVQYUFLLR-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000622133689 349800247 /nfs/dbraw/zinc/80/02/47/349800247.db2.gz GUSHGOVQYUFLLR-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP FC(F)(F)C1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000043326667 362143828 /nfs/dbraw/zinc/14/38/28/362143828.db2.gz YEEGPXUITVTKTH-ILDUYXDCSA-N 2 1 250.308 2.449 20 0 CEADMP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000043532933 362147133 /nfs/dbraw/zinc/14/71/33/362147133.db2.gz XMZVJFQUGBGVPS-CQSZACIVSA-N 2 1 283.379 2.054 20 0 CEADMP COCC[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000446776993 539298790 /nfs/dbraw/zinc/29/87/90/539298790.db2.gz MTMIKJALTRMJRK-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP COCC[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000446776993 539298792 /nfs/dbraw/zinc/29/87/92/539298792.db2.gz MTMIKJALTRMJRK-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP COCC[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000446776993 539298794 /nfs/dbraw/zinc/29/87/94/539298794.db2.gz MTMIKJALTRMJRK-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CCN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000622146266 349803312 /nfs/dbraw/zinc/80/33/12/349803312.db2.gz MUWJSECGRGHWDI-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CC)C1 ZINC000622146266 349803315 /nfs/dbraw/zinc/80/33/15/349803315.db2.gz MUWJSECGRGHWDI-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)CC[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CC)C1 ZINC000622146266 349803317 /nfs/dbraw/zinc/80/33/17/349803317.db2.gz MUWJSECGRGHWDI-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000037825992 343431259 /nfs/dbraw/zinc/43/12/59/343431259.db2.gz AJWPKDSKNFFQSB-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP COCCCOC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000127374069 365744581 /nfs/dbraw/zinc/74/45/81/365744581.db2.gz SQVDCTQHODDOJO-UHFFFAOYSA-N 2 1 295.427 2.099 20 0 CEADMP CC[NH+]1CCC(C[NH2+]C2CCN(C(C)C)CC2)CC1 ZINC000044517352 343473483 /nfs/dbraw/zinc/47/34/83/343473483.db2.gz HRBQLPJRSAQRAF-UHFFFAOYSA-N 2 1 267.461 2.181 20 0 CEADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000070351538 539321226 /nfs/dbraw/zinc/32/12/26/539321226.db2.gz RWWCLPINVWTSKG-HZSPNIEDSA-N 2 1 252.402 2.160 20 0 CEADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000070351538 539321227 /nfs/dbraw/zinc/32/12/27/539321227.db2.gz RWWCLPINVWTSKG-HZSPNIEDSA-N 2 1 252.402 2.160 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000246493105 539322607 /nfs/dbraw/zinc/32/26/07/539322607.db2.gz RYSUUXIKDRXIMF-KNCOVGOOSA-N 2 1 266.429 2.406 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCC(C)(C)O2)CC1 ZINC000336691921 365762082 /nfs/dbraw/zinc/76/20/82/365762082.db2.gz ALGSBFSZDFXHOY-CQSZACIVSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCC(C)(C)O2)CC1 ZINC000336691921 365762085 /nfs/dbraw/zinc/76/20/85/365762085.db2.gz ALGSBFSZDFXHOY-CQSZACIVSA-N 2 1 254.418 2.360 20 0 CEADMP COCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000081013312 344034027 /nfs/dbraw/zinc/03/40/27/344034027.db2.gz GNBLPSQUWHUAOW-RDJZCZTQSA-N 2 1 276.424 2.475 20 0 CEADMP COCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000081013312 344034029 /nfs/dbraw/zinc/03/40/29/344034029.db2.gz GNBLPSQUWHUAOW-RDJZCZTQSA-N 2 1 276.424 2.475 20 0 CEADMP COCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000081013312 344034032 /nfs/dbraw/zinc/03/40/32/344034032.db2.gz GNBLPSQUWHUAOW-RDJZCZTQSA-N 2 1 276.424 2.475 20 0 CEADMP COCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000081013312 344034035 /nfs/dbraw/zinc/03/40/35/344034035.db2.gz GNBLPSQUWHUAOW-RDJZCZTQSA-N 2 1 276.424 2.475 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000336714807 365777698 /nfs/dbraw/zinc/77/76/98/365777698.db2.gz NZDKPOAUQGVSRU-OAHLLOKOSA-N 3 1 263.429 2.226 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]CCCN(C)Cc1ccccc1 ZINC000336714807 365777705 /nfs/dbraw/zinc/77/77/05/365777705.db2.gz NZDKPOAUQGVSRU-OAHLLOKOSA-N 2 1 263.429 2.226 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(F)c(F)c1 ZINC000174717758 529887742 /nfs/dbraw/zinc/88/77/42/529887742.db2.gz FZVWVQPKIZUPJA-UHFFFAOYSA-N 2 1 297.393 2.034 20 0 CEADMP CN(C)c1nc(NCC2([NH+](C)C)CCCCC2)cc[nH+]1 ZINC000077165395 343909103 /nfs/dbraw/zinc/90/91/03/343909103.db2.gz MTDXDWIYDRRMOS-UHFFFAOYSA-N 2 1 277.416 2.219 20 0 CEADMP COC(=O)CCC[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000077316742 343916832 /nfs/dbraw/zinc/91/68/32/343916832.db2.gz RCCIGKLYDFXUPA-UHFFFAOYSA-N 2 1 291.395 2.220 20 0 CEADMP CC(C)n1cncc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000090208731 344138866 /nfs/dbraw/zinc/13/88/66/344138866.db2.gz BYIDTTFJYVNGDX-CQSZACIVSA-N 2 1 264.417 2.284 20 0 CEADMP CC(C)n1cncc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000090208731 344138870 /nfs/dbraw/zinc/13/88/70/344138870.db2.gz BYIDTTFJYVNGDX-CQSZACIVSA-N 2 1 264.417 2.284 20 0 CEADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCOC3)CC2)cc1 ZINC000090773864 344143569 /nfs/dbraw/zinc/14/35/69/344143569.db2.gz VRJZVDUHIJHAFJ-KRWDZBQOSA-N 2 1 292.398 2.211 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000093209944 344216509 /nfs/dbraw/zinc/21/65/09/344216509.db2.gz FSEMMRHAEZBUNQ-ARFHVFGLSA-N 2 1 261.413 2.149 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000049553354 362371642 /nfs/dbraw/zinc/37/16/42/362371642.db2.gz USEVTPLHGOVKBQ-OLZOCXBDSA-N 2 1 298.452 2.081 20 0 CEADMP C[N@@H+](C1CCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360621415 282336549 /nfs/dbraw/zinc/33/65/49/282336549.db2.gz OZKXOZJJANUDKB-MRXNPFEDSA-N 2 1 265.445 2.029 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cccc(C(=O)OC)c2)CC[C@@H]1[NH3+] ZINC000122897197 344308074 /nfs/dbraw/zinc/30/80/74/344308074.db2.gz KGDXLKNYMLVEQZ-HIFRSBDPSA-N 2 1 276.380 2.032 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)OC)c2)CC[C@@H]1[NH3+] ZINC000122897197 344308075 /nfs/dbraw/zinc/30/80/75/344308075.db2.gz KGDXLKNYMLVEQZ-HIFRSBDPSA-N 2 1 276.380 2.032 20 0 CEADMP CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC[C@@H]1C ZINC000230309355 344572414 /nfs/dbraw/zinc/57/24/14/344572414.db2.gz VYPSUJJVJQAVHL-SUMWQHHRSA-N 2 1 274.408 2.189 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000215641061 344534275 /nfs/dbraw/zinc/53/42/75/344534275.db2.gz VDCSGLCDMSBNDG-LEUOFYLZSA-N 2 1 288.435 2.258 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)[nH]1 ZINC000602504407 347059519 /nfs/dbraw/zinc/05/95/19/347059519.db2.gz VFQLQOXDLXIHJI-UHFFFAOYSA-N 2 1 293.411 2.154 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000312746443 344739715 /nfs/dbraw/zinc/73/97/15/344739715.db2.gz WIILBJQUWKCRGL-HOCLYGCPSA-N 2 1 282.428 2.171 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1)O[C@H](C)C2 ZINC000314118099 344744348 /nfs/dbraw/zinc/74/43/48/344744348.db2.gz DBNXYBYFUJZFMY-SJKOYZFVSA-N 2 1 290.407 2.189 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CC[C@](C)(C[NH3+])C1)O[C@H](C)C2 ZINC000314118099 344744349 /nfs/dbraw/zinc/74/43/49/344744349.db2.gz DBNXYBYFUJZFMY-SJKOYZFVSA-N 2 1 290.407 2.189 20 0 CEADMP COC(=O)c1csc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000602558481 347076619 /nfs/dbraw/zinc/07/66/19/347076619.db2.gz BJCWGWSLCNPVEG-PWSUYJOCSA-N 2 1 282.409 2.107 20 0 CEADMP COC(=O)c1csc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1 ZINC000602558481 347076622 /nfs/dbraw/zinc/07/66/22/347076622.db2.gz BJCWGWSLCNPVEG-PWSUYJOCSA-N 2 1 282.409 2.107 20 0 CEADMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@H]1CCCSCC1)CC2 ZINC000668068673 539407877 /nfs/dbraw/zinc/40/78/77/539407877.db2.gz TVSLJHQSCNIHRZ-OLZOCXBDSA-N 2 1 265.426 2.321 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000449771215 282361385 /nfs/dbraw/zinc/36/13/85/282361385.db2.gz JPLWEWYRKHVLBQ-UHFFFAOYSA-N 2 1 270.417 2.040 20 0 CEADMP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1CCOCC1 ZINC000449778011 282363770 /nfs/dbraw/zinc/36/37/70/282363770.db2.gz ARWAKLDDMMZVKI-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1CCOCC1 ZINC000449778011 282363773 /nfs/dbraw/zinc/36/37/73/282363773.db2.gz ARWAKLDDMMZVKI-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@H]1CCCOC1 ZINC000449780939 282364984 /nfs/dbraw/zinc/36/49/84/282364984.db2.gz HKLGXJGFARMHIA-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@H]1CCCOC1 ZINC000449780939 282364986 /nfs/dbraw/zinc/36/49/86/282364986.db2.gz HKLGXJGFARMHIA-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@@H+](C[C@@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]CC1 ZINC000568051450 299113676 /nfs/dbraw/zinc/11/36/76/299113676.db2.gz MQWVEOFKWAPCJO-KKUMJFAQSA-N 2 1 254.418 2.002 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000351618051 219147397 /nfs/dbraw/zinc/14/73/97/219147397.db2.gz DZLYIUJTEXYWQN-DZGCQCFKSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000351618051 219147399 /nfs/dbraw/zinc/14/73/99/219147399.db2.gz DZLYIUJTEXYWQN-DZGCQCFKSA-N 2 1 265.401 2.065 20 0 CEADMP COC(C)(C)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336784286 365802927 /nfs/dbraw/zinc/80/29/27/365802927.db2.gz OESFDPNLKBBFRR-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000273236476 192083781 /nfs/dbraw/zinc/08/37/81/192083781.db2.gz XVHBWHMKCYNSBZ-FGTMMUONSA-N 2 1 288.435 2.197 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335634043 282383621 /nfs/dbraw/zinc/38/36/21/282383621.db2.gz LTFFNAPRYAVJGH-KBPBESRZSA-N 2 1 263.385 2.113 20 0 CEADMP c1nc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc2[nH]1 ZINC000589641447 345090842 /nfs/dbraw/zinc/09/08/42/345090842.db2.gz JENPYSCKKHHGTC-KGLIPLIRSA-N 2 1 270.380 2.279 20 0 CEADMP c1nc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2[nH]1 ZINC000589641447 345090845 /nfs/dbraw/zinc/09/08/45/345090845.db2.gz JENPYSCKKHHGTC-KGLIPLIRSA-N 2 1 270.380 2.279 20 0 CEADMP c1nc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2[nH]1 ZINC000589641447 345090847 /nfs/dbraw/zinc/09/08/47/345090847.db2.gz JENPYSCKKHHGTC-KGLIPLIRSA-N 2 1 270.380 2.279 20 0 CEADMP CCOC(=O)CC[N@@H+](CC1CC1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000591272209 345236462 /nfs/dbraw/zinc/23/64/62/345236462.db2.gz WFVCYYOAIIGUJG-ZFWWWQNUSA-N 2 1 282.428 2.040 20 0 CEADMP Cn1nccc1[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351635689 219155707 /nfs/dbraw/zinc/15/57/07/219155707.db2.gz XXBIWNRUDAGJSI-HZPDHXFCSA-N 2 1 290.455 2.474 20 0 CEADMP Cn1nccc1[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351635689 219155708 /nfs/dbraw/zinc/15/57/08/219155708.db2.gz XXBIWNRUDAGJSI-HZPDHXFCSA-N 2 1 290.455 2.474 20 0 CEADMP Cn1nccc1[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351635689 219155709 /nfs/dbraw/zinc/15/57/09/219155709.db2.gz XXBIWNRUDAGJSI-HZPDHXFCSA-N 2 1 290.455 2.474 20 0 CEADMP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592491688 345359489 /nfs/dbraw/zinc/35/94/89/345359489.db2.gz HWEISTAAEZZYCB-ILXRZTDVSA-N 2 1 282.428 2.040 20 0 CEADMP CCOC(=O)[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000592494340 345360399 /nfs/dbraw/zinc/36/03/99/345360399.db2.gz QZQWHOOGOAARHR-HNNXBMFYSA-N 2 1 282.428 2.041 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229367290 539466533 /nfs/dbraw/zinc/46/65/33/539466533.db2.gz BLKXXWYUBXDLAA-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)OC(=O)C[C@@H]([NH2+]CCCc1c[nH+]cn1C)C(C)C ZINC000594043920 345572224 /nfs/dbraw/zinc/57/22/24/345572224.db2.gz MQSIMOLYXSFGCG-OAHLLOKOSA-N 2 1 295.427 2.309 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000623086043 349933730 /nfs/dbraw/zinc/93/37/30/349933730.db2.gz UJMFJHKAJPKKGF-HOCLYGCPSA-N 2 1 255.365 2.356 20 0 CEADMP CCOCC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000336787017 365805910 /nfs/dbraw/zinc/80/59/10/365805910.db2.gz DBOMFIITKFMNQP-MELADBBJSA-N 2 1 256.434 2.367 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000336786649 365805728 /nfs/dbraw/zinc/80/57/28/365805728.db2.gz CIEFMZVKHWMDSR-KFWWJZLASA-N 3 1 255.450 2.214 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000594923948 345703611 /nfs/dbraw/zinc/70/36/11/345703611.db2.gz HBBPRTZRNHZGRW-CAOSSQGBSA-N 2 1 296.455 2.428 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)C(C)(C)C)C1 ZINC000336786573 365805761 /nfs/dbraw/zinc/80/57/61/365805761.db2.gz IQAUAQKJQJAUCW-KGLIPLIRSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000336786575 365805870 /nfs/dbraw/zinc/80/58/70/365805870.db2.gz IQAUAQKJQJAUCW-ZIAGYGMSSA-N 2 1 256.434 2.057 20 0 CEADMP CCC[C@@H](C(=O)OCC)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507424 345798474 /nfs/dbraw/zinc/79/84/74/345798474.db2.gz MWGIIFJBCAKDCL-HOCLYGCPSA-N 2 1 282.428 2.136 20 0 CEADMP C([C@H]1CCCO1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000334783117 539494330 /nfs/dbraw/zinc/49/43/30/539494330.db2.gz QNUYEFDJMUPGAZ-LSDHHAIUSA-N 2 1 252.402 2.116 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CCC[NH+](C)C)cc1Cl ZINC000597038474 346118601 /nfs/dbraw/zinc/11/86/01/346118601.db2.gz BYMGQHSOOUOESQ-UHFFFAOYSA-N 2 1 284.787 2.168 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1SC ZINC000459389891 290134475 /nfs/dbraw/zinc/13/44/75/290134475.db2.gz NYYUGAGISABDOB-RBSFLKMASA-N 2 1 284.469 2.112 20 0 CEADMP C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C[NH+]1CCCC1 ZINC000062078515 362704929 /nfs/dbraw/zinc/70/49/29/362704929.db2.gz ZUDLNWMISOZCCK-KLHDSHLOSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C[NH+]1CCCC1 ZINC000062078515 362704931 /nfs/dbraw/zinc/70/49/31/362704931.db2.gz ZUDLNWMISOZCCK-KLHDSHLOSA-N 3 1 267.461 2.037 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C[NH+]1CCCC1 ZINC000062078515 362704933 /nfs/dbraw/zinc/70/49/33/362704933.db2.gz ZUDLNWMISOZCCK-KLHDSHLOSA-N 3 1 267.461 2.037 20 0 CEADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000314558459 201929157 /nfs/dbraw/zinc/92/91/57/201929157.db2.gz KBTVHMISVGWLIX-YCPHGPKFSA-N 2 1 289.423 2.476 20 0 CEADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000314558459 201929159 /nfs/dbraw/zinc/92/91/59/201929159.db2.gz KBTVHMISVGWLIX-YCPHGPKFSA-N 2 1 289.423 2.476 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000599025858 346448560 /nfs/dbraw/zinc/44/85/60/346448560.db2.gz SDDGRUVABBJNSX-FJBKBRRZSA-N 2 1 294.439 2.325 20 0 CEADMP COC1(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000336795550 365818277 /nfs/dbraw/zinc/81/82/77/365818277.db2.gz LJCZMMWYJUTTON-KGLIPLIRSA-N 2 1 252.402 2.162 20 0 CEADMP COC(=O)CCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000599298336 346493690 /nfs/dbraw/zinc/49/36/90/346493690.db2.gz QZNHPDRIFRCDMG-OAHLLOKOSA-N 2 1 282.428 2.280 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000063194728 362757976 /nfs/dbraw/zinc/75/79/76/362757976.db2.gz UPVMKZPKDMINHB-DOMZBBRYSA-N 2 1 293.386 2.356 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000063194728 362757980 /nfs/dbraw/zinc/75/79/80/362757980.db2.gz UPVMKZPKDMINHB-DOMZBBRYSA-N 2 1 293.386 2.356 20 0 CEADMP COC(=O)CCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000599333903 346500399 /nfs/dbraw/zinc/50/03/99/346500399.db2.gz BQNKEHHZDHVIIA-GDBMZVCRSA-N 2 1 294.439 2.278 20 0 CEADMP COC(=O)CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000599333903 346500401 /nfs/dbraw/zinc/50/04/01/346500401.db2.gz BQNKEHHZDHVIIA-GDBMZVCRSA-N 2 1 294.439 2.278 20 0 CEADMP COC(=O)CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000599333903 346500402 /nfs/dbraw/zinc/50/04/02/346500402.db2.gz BQNKEHHZDHVIIA-GDBMZVCRSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000568277091 299133842 /nfs/dbraw/zinc/13/38/42/299133842.db2.gz SUXRXFHMOXIPLJ-DFBGVHRSSA-N 2 1 278.371 2.059 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000568277091 299133844 /nfs/dbraw/zinc/13/38/44/299133844.db2.gz SUXRXFHMOXIPLJ-DFBGVHRSSA-N 2 1 278.371 2.059 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000600940746 346713051 /nfs/dbraw/zinc/71/30/51/346713051.db2.gz ASCWOEYRGOQELI-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000600940746 346713054 /nfs/dbraw/zinc/71/30/54/346713054.db2.gz ASCWOEYRGOQELI-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000600940746 346713056 /nfs/dbraw/zinc/71/30/56/346713056.db2.gz ASCWOEYRGOQELI-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP COc1ccc(OCC[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000128446634 187371160 /nfs/dbraw/zinc/37/11/60/187371160.db2.gz FFDLKVRTLAOMMY-INIZCTEOSA-N 2 1 280.412 2.379 20 0 CEADMP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336811919 365851710 /nfs/dbraw/zinc/85/17/10/365851710.db2.gz PDWJKMLIHPQZAE-SOUVJXGZSA-N 2 1 286.485 2.048 20 0 CEADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336811919 365851713 /nfs/dbraw/zinc/85/17/13/365851713.db2.gz PDWJKMLIHPQZAE-SOUVJXGZSA-N 2 1 286.485 2.048 20 0 CEADMP CCS[C@@H]1CC[C@H]([NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336811919 365851716 /nfs/dbraw/zinc/85/17/16/365851716.db2.gz PDWJKMLIHPQZAE-SOUVJXGZSA-N 2 1 286.485 2.048 20 0 CEADMP CCS[C@@H]1CC[C@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336811919 365851719 /nfs/dbraw/zinc/85/17/19/365851719.db2.gz PDWJKMLIHPQZAE-SOUVJXGZSA-N 2 1 286.485 2.048 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000601266081 346806398 /nfs/dbraw/zinc/80/63/98/346806398.db2.gz HSPUHVVKECXPHC-JEPKBOEPSA-N 2 1 294.439 2.323 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000601266081 346806402 /nfs/dbraw/zinc/80/64/02/346806402.db2.gz HSPUHVVKECXPHC-JEPKBOEPSA-N 2 1 294.439 2.323 20 0 CEADMP CCCC[C@@H](C(=O)OC)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876075 347235166 /nfs/dbraw/zinc/23/51/66/347235166.db2.gz DCJUHDBYFFGFIZ-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)[C@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000603072439 347281652 /nfs/dbraw/zinc/28/16/52/347281652.db2.gz AXFGEZYFICFARE-ZDUSSCGKSA-N 2 1 290.411 2.064 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000336825169 365885090 /nfs/dbraw/zinc/88/50/90/365885090.db2.gz XJIRKSQGTWURNW-JKSUJKDBSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000336825169 365885096 /nfs/dbraw/zinc/88/50/96/365885096.db2.gz XJIRKSQGTWURNW-JKSUJKDBSA-N 2 1 277.412 2.330 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000336825042 365882914 /nfs/dbraw/zinc/88/29/14/365882914.db2.gz WWTNTDBQIIWXOC-DLBZAZTESA-N 2 1 279.472 2.421 20 0 CEADMP Cn1ccnc1C[C@H](NCc1cn[nH]c1)c1ccccc1 ZINC000608072889 347561259 /nfs/dbraw/zinc/56/12/59/347561259.db2.gz MIIUHNGMNWZYHL-HNNXBMFYSA-N 2 1 281.363 2.217 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000351860177 219227785 /nfs/dbraw/zinc/22/77/85/219227785.db2.gz HTDDYNMMGMTXRG-HIFRSBDPSA-N 2 1 262.397 2.297 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCO[C@H]2CCCC[C@@H]2C)C1 ZINC000351861380 219227897 /nfs/dbraw/zinc/22/78/97/219227897.db2.gz LAWZZGAWWIRVRS-XQLPTFJDSA-N 2 1 254.418 2.251 20 0 CEADMP Cc1nccn1CCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336840794 365913661 /nfs/dbraw/zinc/91/36/61/365913661.db2.gz NBYRJCALKGETQA-KRWDZBQOSA-N 2 1 290.455 2.245 20 0 CEADMP Cc1nccn1CCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336840794 365913666 /nfs/dbraw/zinc/91/36/66/365913666.db2.gz NBYRJCALKGETQA-KRWDZBQOSA-N 2 1 290.455 2.245 20 0 CEADMP Cc1nccn1CCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336840794 365913673 /nfs/dbraw/zinc/91/36/73/365913673.db2.gz NBYRJCALKGETQA-KRWDZBQOSA-N 2 1 290.455 2.245 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000336844117 365919003 /nfs/dbraw/zinc/91/90/03/365919003.db2.gz YJZYYCARAICJHS-LOWDOPEQSA-N 2 1 292.345 2.313 20 0 CEADMP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336853240 365927299 /nfs/dbraw/zinc/92/72/99/365927299.db2.gz FYAXTBAZAXRFIT-HZPDHXFCSA-N 2 1 297.406 2.188 20 0 CEADMP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336853240 365927302 /nfs/dbraw/zinc/92/73/02/365927302.db2.gz FYAXTBAZAXRFIT-HZPDHXFCSA-N 2 1 297.406 2.188 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000130095997 365923884 /nfs/dbraw/zinc/92/38/84/365923884.db2.gz WONWIJBRMHIPSW-GDBMZVCRSA-N 2 1 288.439 2.123 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000130095997 365923886 /nfs/dbraw/zinc/92/38/86/365923886.db2.gz WONWIJBRMHIPSW-GDBMZVCRSA-N 2 1 288.439 2.123 20 0 CEADMP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C(C)(C)C)n1 ZINC000334452865 539593083 /nfs/dbraw/zinc/59/30/83/539593083.db2.gz ZNKUCZVVXZMIDM-KRWDZBQOSA-N 2 1 290.455 2.293 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C(C)(C)C)n1 ZINC000334452865 539593086 /nfs/dbraw/zinc/59/30/86/539593086.db2.gz ZNKUCZVVXZMIDM-KRWDZBQOSA-N 2 1 290.455 2.293 20 0 CEADMP Cc1ccc(CCC[N@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000339405565 215149562 /nfs/dbraw/zinc/14/95/62/215149562.db2.gz CCMORTASHAEVDL-INIZCTEOSA-N 2 1 261.413 2.383 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000614329039 348179958 /nfs/dbraw/zinc/17/99/58/348179958.db2.gz CSPMZQPDMSQFIU-UONOGXRCSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)CC[C@@H]1[NH3+] ZINC000339410363 215154143 /nfs/dbraw/zinc/15/41/43/215154143.db2.gz RJCZZCNJHQUFEQ-BBRMVZONSA-N 2 1 274.408 2.223 20 0 CEADMP CC[C@@H](O)C[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000128889757 187397007 /nfs/dbraw/zinc/39/70/07/187397007.db2.gz LQIRCBNWINCHBI-QGZVFWFLSA-N 2 1 276.424 2.354 20 0 CEADMP CC[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000128889757 187397008 /nfs/dbraw/zinc/39/70/08/187397008.db2.gz LQIRCBNWINCHBI-QGZVFWFLSA-N 2 1 276.424 2.354 20 0 CEADMP CC[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000128889757 187397011 /nfs/dbraw/zinc/39/70/11/187397011.db2.gz LQIRCBNWINCHBI-QGZVFWFLSA-N 2 1 276.424 2.354 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCOCC(F)(F)F)CC1(C)C ZINC000623345805 349994269 /nfs/dbraw/zinc/99/42/69/349994269.db2.gz UQZFXNGJZWWPKW-SNVBAGLBSA-N 2 1 268.323 2.028 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623358241 349997514 /nfs/dbraw/zinc/99/75/14/349997514.db2.gz VGPXJMTYSQHXCY-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623358241 349997518 /nfs/dbraw/zinc/99/75/18/349997518.db2.gz VGPXJMTYSQHXCY-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623358241 349997521 /nfs/dbraw/zinc/99/75/21/349997521.db2.gz VGPXJMTYSQHXCY-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1CCC[N@@H+](CCN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623358242 349997599 /nfs/dbraw/zinc/99/75/99/349997599.db2.gz VGPXJMTYSQHXCY-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1CCC[NH+](CCN[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623358242 349997603 /nfs/dbraw/zinc/99/76/03/349997603.db2.gz VGPXJMTYSQHXCY-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1CCC[NH+](CCN[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623358242 349997604 /nfs/dbraw/zinc/99/76/04/349997604.db2.gz VGPXJMTYSQHXCY-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C)n2)[C@@H](C)C1 ZINC000249085559 539655370 /nfs/dbraw/zinc/65/53/70/539655370.db2.gz FHANCFNKWKCPKA-FZMZJTMJSA-N 2 1 262.401 2.260 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C)n2)[C@@H](C)C1 ZINC000249085559 539655376 /nfs/dbraw/zinc/65/53/76/539655376.db2.gz FHANCFNKWKCPKA-FZMZJTMJSA-N 2 1 262.401 2.260 20 0 CEADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+](CC)CC ZINC000617013421 348613493 /nfs/dbraw/zinc/61/34/93/348613493.db2.gz UCDALPIYLUZDON-KBPBESRZSA-N 2 1 283.460 2.096 20 0 CEADMP CC[C@@H](C)[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506127 348717923 /nfs/dbraw/zinc/71/79/23/348717923.db2.gz AKYLLDKGZBAPBH-ILXRZTDVSA-N 2 1 285.476 2.057 20 0 CEADMP CC[C@@H](C)[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506127 348717926 /nfs/dbraw/zinc/71/79/26/348717926.db2.gz AKYLLDKGZBAPBH-ILXRZTDVSA-N 2 1 285.476 2.057 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000617505473 348718097 /nfs/dbraw/zinc/71/80/97/348718097.db2.gz DNVOICBDBRLYSA-JYJNAYRXSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000617505473 348718100 /nfs/dbraw/zinc/71/81/00/348718100.db2.gz DNVOICBDBRLYSA-JYJNAYRXSA-N 2 1 297.487 2.201 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)NCC[C@H](C)[NH+](C)C)c1ccccc1 ZINC000617751767 348779824 /nfs/dbraw/zinc/77/98/24/348779824.db2.gz CJAGSQWTIJXZQF-HOCLYGCPSA-N 2 1 291.439 2.136 20 0 CEADMP CCC(C)(C)[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000568834744 299157426 /nfs/dbraw/zinc/15/74/26/299157426.db2.gz DLURWWPCOXDRAO-AWEZNQCLSA-N 2 1 269.477 2.427 20 0 CEADMP C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400400966 233178552 /nfs/dbraw/zinc/17/85/52/233178552.db2.gz KRFDVEOTPKCVGI-ATLSCFEFSA-N 2 1 287.451 2.380 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2CC(OCC)C2)C1 ZINC000352027800 219292028 /nfs/dbraw/zinc/29/20/28/219292028.db2.gz PDOAVMFUECBTBR-QQFBHYJXSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2CC(OCC)C2)C1 ZINC000352027800 219292029 /nfs/dbraw/zinc/29/20/29/219292029.db2.gz PDOAVMFUECBTBR-QQFBHYJXSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2CC(OCC)C2)C1 ZINC000352027800 219292032 /nfs/dbraw/zinc/29/20/32/219292032.db2.gz PDOAVMFUECBTBR-QQFBHYJXSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]c(N(C)C)n1 ZINC000068690067 362944634 /nfs/dbraw/zinc/94/46/34/362944634.db2.gz MCGUNPPWRLRJQZ-ZDUSSCGKSA-N 2 1 279.432 2.465 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000250476901 539743411 /nfs/dbraw/zinc/74/34/11/539743411.db2.gz UBYXITKADORWKI-LJISPDSOSA-N 2 1 252.402 2.160 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000250476901 539743413 /nfs/dbraw/zinc/74/34/13/539743413.db2.gz UBYXITKADORWKI-LJISPDSOSA-N 2 1 252.402 2.160 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1O ZINC000623394868 350007989 /nfs/dbraw/zinc/00/79/89/350007989.db2.gz VSCYZCPPBXXCRB-ZDUSSCGKSA-N 2 1 278.396 2.363 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1O ZINC000623394868 350007992 /nfs/dbraw/zinc/00/79/92/350007992.db2.gz VSCYZCPPBXXCRB-ZDUSSCGKSA-N 2 1 278.396 2.363 20 0 CEADMP Cc1nccn1C[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623402323 350009857 /nfs/dbraw/zinc/00/98/57/350009857.db2.gz GJNIVIYIMGRMLL-HIFRSBDPSA-N 2 1 278.444 2.290 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623402323 350009859 /nfs/dbraw/zinc/00/98/59/350009859.db2.gz GJNIVIYIMGRMLL-HIFRSBDPSA-N 3 1 278.444 2.290 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623402323 350009864 /nfs/dbraw/zinc/00/98/64/350009864.db2.gz GJNIVIYIMGRMLL-HIFRSBDPSA-N 3 1 278.444 2.290 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)Cc2ccccc2)CC1(C)C ZINC000623421744 350015833 /nfs/dbraw/zinc/01/58/33/350015833.db2.gz YQRVFBNWIHPEAI-CVEARBPZSA-N 2 1 276.424 2.052 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)CC1(C)C ZINC000623423633 350016510 /nfs/dbraw/zinc/01/65/10/350016510.db2.gz MACNYOODHGHUBX-STQMWFEESA-N 2 1 256.434 2.246 20 0 CEADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623454634 350025385 /nfs/dbraw/zinc/02/53/85/350025385.db2.gz MPPPEFQFBSUJLG-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CCc2ccccc2)CC1(C)C ZINC000623490573 350032859 /nfs/dbraw/zinc/03/28/59/350032859.db2.gz OTZDRZXAHYDTJH-SJORKVTESA-N 2 1 290.451 2.443 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000623657461 350077467 /nfs/dbraw/zinc/07/74/67/350077467.db2.gz RFFQVGOORWXBBD-CYBMUJFWSA-N 2 1 288.395 2.491 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000623657461 350077469 /nfs/dbraw/zinc/07/74/69/350077469.db2.gz RFFQVGOORWXBBD-CYBMUJFWSA-N 2 1 288.395 2.491 20 0 CEADMP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623550434 350048152 /nfs/dbraw/zinc/04/81/52/350048152.db2.gz OGBMDYIPVDJEGB-STQMWFEESA-N 2 1 254.418 2.406 20 0 CEADMP C[N@H+]1CC[C@@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)CC1(C)C ZINC000623562996 350052592 /nfs/dbraw/zinc/05/25/92/350052592.db2.gz KOFLQKOIKHTAAM-ZIAGYGMSSA-N 2 1 267.461 2.322 20 0 CEADMP C[NH+]1CC[C@@H](N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC000623562996 350052596 /nfs/dbraw/zinc/05/25/96/350052596.db2.gz KOFLQKOIKHTAAM-ZIAGYGMSSA-N 2 1 267.461 2.322 20 0 CEADMP C[NH+]1CC[C@@H](N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000623562996 350052599 /nfs/dbraw/zinc/05/25/99/350052599.db2.gz KOFLQKOIKHTAAM-ZIAGYGMSSA-N 2 1 267.461 2.322 20 0 CEADMP c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000623602428 350061560 /nfs/dbraw/zinc/06/15/60/350061560.db2.gz POZFDZNXLLGULD-KURKYZTESA-N 2 1 286.419 2.344 20 0 CEADMP O[C@H]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000623749071 350100499 /nfs/dbraw/zinc/10/04/99/350100499.db2.gz UGAKPPTUZSDJNJ-MAEOIBBWSA-N 2 1 288.435 2.054 20 0 CEADMP C[C@@H](CNc1nc2ccccc2n2cncc12)[N@@H+](C)C1CC1 ZINC000623934503 350148372 /nfs/dbraw/zinc/14/83/72/350148372.db2.gz WMCBLABQJOFHDB-LBPRGKRZSA-N 2 1 295.390 2.199 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCCO2)C1 ZINC000623871960 350131174 /nfs/dbraw/zinc/13/11/74/350131174.db2.gz QJFNUQITXPUQPX-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP Cc1csc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC000623891014 350136040 /nfs/dbraw/zinc/13/60/40/350136040.db2.gz ANGOGTOJTYMQPS-ZIAGYGMSSA-N 2 1 297.468 2.339 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2COc3cccc(C)c3C2)CC1 ZINC000624071597 350185236 /nfs/dbraw/zinc/18/52/36/350185236.db2.gz DXYCEPBIMGRGFV-OAHLLOKOSA-N 2 1 274.408 2.372 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)n1 ZINC000624122468 350200233 /nfs/dbraw/zinc/20/02/33/350200233.db2.gz RUUYVFCHEIXQGN-CABCVRRESA-N 2 1 291.439 2.343 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCCO1 ZINC000624123207 350200950 /nfs/dbraw/zinc/20/09/50/350200950.db2.gz IBRPHVNWOKQEFP-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000624123252 350201457 /nfs/dbraw/zinc/20/14/57/350201457.db2.gz ISMPALLRIYVOMG-HOCLYGCPSA-N 2 1 291.439 2.343 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000091662232 180219903 /nfs/dbraw/zinc/21/99/03/180219903.db2.gz FRTMHMAYHPKRHI-YIDVYQOGSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000091662232 180219905 /nfs/dbraw/zinc/21/99/05/180219905.db2.gz FRTMHMAYHPKRHI-YIDVYQOGSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1nc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cs1 ZINC000105443289 186056751 /nfs/dbraw/zinc/05/67/51/186056751.db2.gz JWJYLQYYSIZEQS-JTQLQIEISA-N 2 1 264.398 2.382 20 0 CEADMP CCCCN1CCCC[C@H]1C[NH2+]Cc1cncn1C ZINC000105458293 186058129 /nfs/dbraw/zinc/05/81/29/186058129.db2.gz UCEJROQBSGIKBD-AWEZNQCLSA-N 2 1 264.417 2.164 20 0 CEADMP CCc1c(C)[nH+]c2ccccc2c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000624680792 350339332 /nfs/dbraw/zinc/33/93/32/350339332.db2.gz MLUYZERLTWJOQB-CQSZACIVSA-N 2 1 299.418 2.006 20 0 CEADMP C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC1CCOCC1 ZINC000625179638 350422450 /nfs/dbraw/zinc/42/24/50/350422450.db2.gz SJHXTXVEOJHQQM-INIZCTEOSA-N 2 1 296.455 2.132 20 0 CEADMP C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC1CCOCC1 ZINC000625179638 350422453 /nfs/dbraw/zinc/42/24/53/350422453.db2.gz SJHXTXVEOJHQQM-INIZCTEOSA-N 2 1 296.455 2.132 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000625832980 350581525 /nfs/dbraw/zinc/58/15/25/350581525.db2.gz ZRSXAOPPPGIMPI-OAHLLOKOSA-N 2 1 265.401 2.112 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000625836345 350582912 /nfs/dbraw/zinc/58/29/12/350582912.db2.gz CYHADLSGQSUFKG-INIZCTEOSA-N 2 1 279.428 2.274 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)C1CCCCC1 ZINC000625988107 350621757 /nfs/dbraw/zinc/62/17/57/350621757.db2.gz VORXRPQYCAUPOI-HOCLYGCPSA-N 2 1 270.461 2.447 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)C1CCCCC1 ZINC000625988107 350621761 /nfs/dbraw/zinc/62/17/61/350621761.db2.gz VORXRPQYCAUPOI-HOCLYGCPSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H](C)C1CCCCC1 ZINC000625988107 350621763 /nfs/dbraw/zinc/62/17/63/350621763.db2.gz VORXRPQYCAUPOI-HOCLYGCPSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H](C)C1CCCCC1 ZINC000625988107 350621765 /nfs/dbraw/zinc/62/17/65/350621765.db2.gz VORXRPQYCAUPOI-HOCLYGCPSA-N 2 1 270.461 2.447 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000110649539 186310033 /nfs/dbraw/zinc/31/00/33/186310033.db2.gz YVEQCBLMMPFQLE-JTQLQIEISA-N 2 1 292.408 2.357 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000628214224 351008715 /nfs/dbraw/zinc/00/87/15/351008715.db2.gz OTJPWGNIEQGELH-MRXNPFEDSA-N 2 1 299.528 2.135 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+](Cc2ccncc2Br)CC1 ZINC000629513176 351382778 /nfs/dbraw/zinc/38/27/78/351382778.db2.gz UGJFKXVHNITKOB-JTQLQIEISA-N 2 1 298.228 2.403 20 0 CEADMP CC[C@@H]([NH2+][C@@H]1COc2cccc(C)c2C1)[C@@H]1CCC[NH2+]1 ZINC000629515656 351385249 /nfs/dbraw/zinc/38/52/49/351385249.db2.gz VQRJVWBCHUWGRR-IMJJTQAJSA-N 2 1 274.408 2.419 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(Cl)c1 ZINC000629523267 351388465 /nfs/dbraw/zinc/38/84/65/351388465.db2.gz DBYADLAEMGSJOD-LLVKDONJSA-N 2 1 268.788 2.499 20 0 CEADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CCOCC1 ZINC000629523689 351388717 /nfs/dbraw/zinc/38/87/17/351388717.db2.gz IAYFGCJSXAMZEB-CQSZACIVSA-N 2 1 282.334 2.050 20 0 CEADMP [NH3+]C1(C[NH2+][C@H]2CCCc3ccc(F)cc32)CCOCC1 ZINC000629525462 351390569 /nfs/dbraw/zinc/39/05/69/351390569.db2.gz UTYLKVHFVZLLCW-HNNXBMFYSA-N 2 1 278.371 2.301 20 0 CEADMP CC(C)COc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629388637 351345890 /nfs/dbraw/zinc/34/58/90/351345890.db2.gz QWCFONWHIWWMFN-UHFFFAOYSA-N 2 1 292.423 2.319 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000629390225 351347526 /nfs/dbraw/zinc/34/75/26/351347526.db2.gz AYXPZEFJCWQINE-AEGPPILISA-N 2 1 292.423 2.365 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000629406000 351353556 /nfs/dbraw/zinc/35/35/56/351353556.db2.gz HCQZVAFLLQSLDR-HDEZJCGLSA-N 2 1 273.424 2.162 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C[NH2+]1 ZINC000629543239 351404229 /nfs/dbraw/zinc/40/42/29/351404229.db2.gz WLQUGDSSLQMAJH-OLMNGRFOSA-N 2 1 266.429 2.312 20 0 CEADMP COCc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)o1 ZINC000629650579 351448936 /nfs/dbraw/zinc/44/89/36/351448936.db2.gz WQGREZOEDPPHQZ-ZDUSSCGKSA-N 2 1 278.396 2.390 20 0 CEADMP COC1(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CCCC1 ZINC000629652996 351450391 /nfs/dbraw/zinc/45/03/91/351450391.db2.gz DNXHWXBUGKAAET-NEPJUHHUSA-N 2 1 294.361 2.405 20 0 CEADMP Cn1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000629653507 351451266 /nfs/dbraw/zinc/45/12/66/351451266.db2.gz JVBLHJQMOHKIME-UHFFFAOYSA-N 2 1 257.381 2.376 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629654479 351452243 /nfs/dbraw/zinc/45/22/43/351452243.db2.gz PWBLPYUFKFIYLX-INIZCTEOSA-N 2 1 258.365 2.133 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(F)c(C(F)(F)F)c1 ZINC000629661303 351455503 /nfs/dbraw/zinc/45/55/03/351455503.db2.gz BXGXASDILSXORG-UHFFFAOYSA-N 2 1 294.292 2.252 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1O ZINC000629660796 351455515 /nfs/dbraw/zinc/45/55/15/351455515.db2.gz ZNKDVRFZBQMNAD-KCQAQPDRSA-N 2 1 292.423 2.452 20 0 CEADMP Cc1ccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)s1 ZINC000629668681 351458902 /nfs/dbraw/zinc/45/89/02/351458902.db2.gz ZGFYLWZLNBNKTA-OKILXGFUSA-N 2 1 250.411 2.488 20 0 CEADMP Cc1ccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)s1 ZINC000629668681 351458906 /nfs/dbraw/zinc/45/89/06/351458906.db2.gz ZGFYLWZLNBNKTA-OKILXGFUSA-N 2 1 250.411 2.488 20 0 CEADMP [NH3+]CCC1CC[NH+](Cc2ccncc2Br)CC1 ZINC000629547751 351407534 /nfs/dbraw/zinc/40/75/34/351407534.db2.gz LQPIKIJSZVFPFE-UHFFFAOYSA-N 2 1 298.228 2.405 20 0 CEADMP CCCCOCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560874 351414707 /nfs/dbraw/zinc/41/47/07/351414707.db2.gz GLWQZSZXBBCWGD-VXGBXAGGSA-N 2 1 282.350 2.262 20 0 CEADMP CCCCOCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560874 351414709 /nfs/dbraw/zinc/41/47/09/351414709.db2.gz GLWQZSZXBBCWGD-VXGBXAGGSA-N 2 1 282.350 2.262 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC2CC=CC2)CC[C@H]1C(F)(F)F ZINC000629564722 351416403 /nfs/dbraw/zinc/41/64/03/351416403.db2.gz UDSXLZRKDRJADB-VXGBXAGGSA-N 2 1 262.319 2.412 20 0 CEADMP CC[C@H](c1ccccc1)[N@@H+](C)CCOCC[NH2+]C ZINC000629571341 351418625 /nfs/dbraw/zinc/41/86/25/351418625.db2.gz LHYOSIRMJOWCDS-OAHLLOKOSA-N 2 1 250.386 2.306 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccccc1C1CC1 ZINC000629570751 351419075 /nfs/dbraw/zinc/41/90/75/351419075.db2.gz CJERYWICBROUGF-UHFFFAOYSA-N 2 1 262.397 2.232 20 0 CEADMP Cc1cc2cc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)ccc2[nH]1 ZINC000629581164 351421738 /nfs/dbraw/zinc/42/17/38/351421738.db2.gz PONKJCXEOXNDDI-MRXNPFEDSA-N 2 1 287.407 2.023 20 0 CEADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000629589832 351424800 /nfs/dbraw/zinc/42/48/00/351424800.db2.gz ARMAXYKBBSTICL-FUHWJXTLSA-N 2 1 290.451 2.443 20 0 CEADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000629589832 351424804 /nfs/dbraw/zinc/42/48/04/351424804.db2.gz ARMAXYKBBSTICL-FUHWJXTLSA-N 2 1 290.451 2.443 20 0 CEADMP COC[C@H](C)[N@H+](C[C@H](C)[NH3+])[C@H]1CCc2ccccc21 ZINC000629590117 351425092 /nfs/dbraw/zinc/42/50/92/351425092.db2.gz MGCAOHKGEXHQHK-XEZPLFJOSA-N 2 1 262.397 2.358 20 0 CEADMP COC[C@H](C)[N@@H+](C[C@H](C)[NH3+])[C@H]1CCc2ccccc21 ZINC000629590117 351425093 /nfs/dbraw/zinc/42/50/93/351425093.db2.gz MGCAOHKGEXHQHK-XEZPLFJOSA-N 2 1 262.397 2.358 20 0 CEADMP C[NH2+]CCC[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000629588946 351425167 /nfs/dbraw/zinc/42/51/67/351425167.db2.gz PATHNNDMPJMLGE-ZDUSSCGKSA-N 2 1 266.360 2.233 20 0 CEADMP C[NH2+]CCC[N@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000629588946 351425168 /nfs/dbraw/zinc/42/51/68/351425168.db2.gz PATHNNDMPJMLGE-ZDUSSCGKSA-N 2 1 266.360 2.233 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000070170625 363044118 /nfs/dbraw/zinc/04/41/18/363044118.db2.gz WSINENMLXJXVAI-LBPRGKRZSA-N 2 1 275.352 2.495 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000070173951 363047038 /nfs/dbraw/zinc/04/70/38/363047038.db2.gz NFRRLIGTPCQXGU-KBPBESRZSA-N 2 1 275.396 2.074 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000070173954 363047544 /nfs/dbraw/zinc/04/75/44/363047544.db2.gz LDYLTZBNVXENQG-CHWSQXEVSA-N 2 1 293.386 2.214 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174662 363048732 /nfs/dbraw/zinc/04/87/32/363048732.db2.gz JOLHLNPUWZBUID-XHSDSOJGSA-N 2 1 297.487 2.377 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174662 363048736 /nfs/dbraw/zinc/04/87/36/363048736.db2.gz JOLHLNPUWZBUID-XHSDSOJGSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000070174522 363048828 /nfs/dbraw/zinc/04/88/28/363048828.db2.gz STBXZJFTRVUSFH-OLZOCXBDSA-N 2 1 266.360 2.264 20 0 CEADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000131164897 366025347 /nfs/dbraw/zinc/02/53/47/366025347.db2.gz JFFKEYGEZMLVON-OAHLLOKOSA-N 2 1 276.428 2.334 20 0 CEADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000131164897 366025355 /nfs/dbraw/zinc/02/53/55/366025355.db2.gz JFFKEYGEZMLVON-OAHLLOKOSA-N 2 1 276.428 2.334 20 0 CEADMP CCc1ccc(C[NH2+]C2CCN(CCOC)CC2)o1 ZINC000131229499 366032804 /nfs/dbraw/zinc/03/28/04/366032804.db2.gz DTRATZXLSHCPDR-UHFFFAOYSA-N 2 1 266.385 2.042 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000131552386 366065879 /nfs/dbraw/zinc/06/58/79/366065879.db2.gz WMNQNLXLTPGMIZ-HIFRSBDPSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cccn1 ZINC000271443392 191141545 /nfs/dbraw/zinc/14/15/45/191141545.db2.gz GYSBIKZISCTQOE-WMZOPIPTSA-N 2 1 298.434 2.383 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000131637223 366072961 /nfs/dbraw/zinc/07/29/61/366072961.db2.gz YSDQOZYQJANGPS-UKRRQHHQSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000131721383 366080760 /nfs/dbraw/zinc/08/07/60/366080760.db2.gz GAJDEXBHDQMTFZ-NWDGAFQWSA-N 2 1 295.814 2.338 20 0 CEADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000122205189 187020748 /nfs/dbraw/zinc/02/07/48/187020748.db2.gz LUHURWJNMNOOFL-LXTVHRRPSA-N 2 1 283.460 2.094 20 0 CEADMP Cc1nc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cs1 ZINC000124294312 187130747 /nfs/dbraw/zinc/13/07/47/187130747.db2.gz UYMGZHXGOWEQHO-AWEZNQCLSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1nc(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cs1 ZINC000124294312 187130748 /nfs/dbraw/zinc/13/07/48/187130748.db2.gz UYMGZHXGOWEQHO-AWEZNQCLSA-N 2 1 279.453 2.412 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2cncc(OC)c2C)CC1 ZINC000631035789 351931359 /nfs/dbraw/zinc/93/13/59/351931359.db2.gz QQHGVNHRRJMPGJ-UHFFFAOYSA-N 2 1 277.412 2.363 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000631056156 351940988 /nfs/dbraw/zinc/94/09/88/351940988.db2.gz KFDSMFRSHMLKOJ-MRXNPFEDSA-N 2 1 289.423 2.465 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000631056156 351940991 /nfs/dbraw/zinc/94/09/91/351940991.db2.gz KFDSMFRSHMLKOJ-MRXNPFEDSA-N 2 1 289.423 2.465 20 0 CEADMP COCCc1ncc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000631157898 351992069 /nfs/dbraw/zinc/99/20/69/351992069.db2.gz ITOORVNKXPYJOD-ZDUSSCGKSA-N 2 1 297.468 2.154 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CC1 ZINC000493900076 290946539 /nfs/dbraw/zinc/94/65/39/290946539.db2.gz JPGYKWRTLSHCFJ-LVQVYYBASA-N 2 1 278.440 2.264 20 0 CEADMP C[N@@H+](CCCNC(=O)c1ccc(C[NH3+])o1)C1CCCCC1 ZINC000094569203 539882111 /nfs/dbraw/zinc/88/21/11/539882111.db2.gz WBRZEQJGJVUKKU-UHFFFAOYSA-N 2 1 293.411 2.123 20 0 CEADMP COc1cccc(OCC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292111920 198167189 /nfs/dbraw/zinc/16/71/89/198167189.db2.gz JCWJPHOSHHJEQG-KRWDZBQOSA-N 2 1 290.407 2.102 20 0 CEADMP COc1cccc(OCC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292111920 198167190 /nfs/dbraw/zinc/16/71/90/198167190.db2.gz JCWJPHOSHHJEQG-KRWDZBQOSA-N 2 1 290.407 2.102 20 0 CEADMP COc1cccc(OCC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292111920 198167192 /nfs/dbraw/zinc/16/71/92/198167192.db2.gz JCWJPHOSHHJEQG-KRWDZBQOSA-N 2 1 290.407 2.102 20 0 CEADMP COc1cccc(OCC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292111920 198167193 /nfs/dbraw/zinc/16/71/93/198167193.db2.gz JCWJPHOSHHJEQG-KRWDZBQOSA-N 2 1 290.407 2.102 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cncnc1 ZINC000344778730 539910448 /nfs/dbraw/zinc/91/04/48/539910448.db2.gz XFYHGXWBSVPGHD-CVEARBPZSA-N 2 1 276.428 2.467 20 0 CEADMP Cc1ncsc1CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000337220401 366085415 /nfs/dbraw/zinc/08/54/15/366085415.db2.gz DEIBCVREAXHHGF-UHFFFAOYSA-N 2 1 267.442 2.412 20 0 CEADMP Cc1ncsc1CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337220401 366085421 /nfs/dbraw/zinc/08/54/21/366085421.db2.gz DEIBCVREAXHHGF-UHFFFAOYSA-N 2 1 267.442 2.412 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000153732258 188099665 /nfs/dbraw/zinc/09/96/65/188099665.db2.gz ZPITTWBYZQCJFN-ZDUSSCGKSA-N 2 1 298.402 2.453 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000153732258 188099666 /nfs/dbraw/zinc/09/96/66/188099666.db2.gz ZPITTWBYZQCJFN-ZDUSSCGKSA-N 2 1 298.402 2.453 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccccc21 ZINC000153743090 188100712 /nfs/dbraw/zinc/10/07/12/188100712.db2.gz SDLKBNHGMNVPER-MRXNPFEDSA-N 2 1 262.397 2.232 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1OC ZINC000153751959 188101378 /nfs/dbraw/zinc/10/13/78/188101378.db2.gz NTHIIWKYABNEDM-CQSZACIVSA-N 2 1 280.412 2.314 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1OC ZINC000153751959 188101379 /nfs/dbraw/zinc/10/13/79/188101379.db2.gz NTHIIWKYABNEDM-CQSZACIVSA-N 2 1 280.412 2.314 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000153780639 188103844 /nfs/dbraw/zinc/10/38/44/188103844.db2.gz GMZURCAIGRKCHM-ZDUSSCGKSA-N 2 1 268.376 2.445 20 0 CEADMP C[C@H]1C[C@@H](Nc2cnn(-c3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000679128566 539978047 /nfs/dbraw/zinc/97/80/47/539978047.db2.gz WGTXVACTQZHMMM-STQMWFEESA-N 2 1 271.368 2.162 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cc(OC)cc(OC)c2)CC[C@H]1[NH3+] ZINC000251794395 539991156 /nfs/dbraw/zinc/99/11/56/539991156.db2.gz NTJBVMVZPMZQHP-XJKSGUPXSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)CC[C@H]1[NH3+] ZINC000251794395 539991159 /nfs/dbraw/zinc/99/11/59/539991159.db2.gz NTJBVMVZPMZQHP-XJKSGUPXSA-N 2 1 278.396 2.263 20 0 CEADMP CCC[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)OC ZINC000295193825 199399504 /nfs/dbraw/zinc/39/95/04/199399504.db2.gz XOUMOYVYGDYUMX-ZDUSSCGKSA-N 2 1 251.374 2.052 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCC23CCC3)CCCO1 ZINC000337398146 366146728 /nfs/dbraw/zinc/14/67/28/366146728.db2.gz CHUDIEITNCFSCF-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC23CCC3)CCCO1 ZINC000337398146 366146730 /nfs/dbraw/zinc/14/67/30/366146730.db2.gz CHUDIEITNCFSCF-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ncccc2C(F)(F)F)C1 ZINC000666853063 540022923 /nfs/dbraw/zinc/02/29/23/540022923.db2.gz BGEBUSNMXKKXME-ZJUUUORDSA-N 2 1 273.302 2.460 20 0 CEADMP COCC[NH2+]C1CC[NH+](CCCc2ccsc2)CC1 ZINC000569854481 314018570 /nfs/dbraw/zinc/01/85/70/314018570.db2.gz DYVMKFFMYKDOAK-UHFFFAOYSA-N 2 1 282.453 2.381 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNc1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000569866574 299223432 /nfs/dbraw/zinc/22/34/32/299223432.db2.gz QNEVAPBQWDHGAT-CYBMUJFWSA-N 2 1 293.459 2.230 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCC1CCOCC1 ZINC000682070021 540066049 /nfs/dbraw/zinc/06/60/49/540066049.db2.gz BVHSPWQRLLJXAC-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCC1CCOCC1 ZINC000682070021 540066050 /nfs/dbraw/zinc/06/60/50/540066050.db2.gz BVHSPWQRLLJXAC-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCC1CCOCC1 ZINC000682070021 540066054 /nfs/dbraw/zinc/06/60/54/540066054.db2.gz BVHSPWQRLLJXAC-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCC1CCOCC1 ZINC000682070021 540066056 /nfs/dbraw/zinc/06/60/56/540066056.db2.gz BVHSPWQRLLJXAC-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOCc2ccccc2)CC[C@@H]1[NH3+] ZINC000381077242 540138311 /nfs/dbraw/zinc/13/83/11/540138311.db2.gz ROXLNAWXUIUELD-CVEARBPZSA-N 2 1 262.397 2.262 20 0 CEADMP CN(C)C(=O)OC[C@@H]1CCCCN1CC[C@@H]1CCC[N@H+]1C ZINC000495689619 291066039 /nfs/dbraw/zinc/06/60/39/291066039.db2.gz UPUMLVFMWLAEHF-GJZGRUSLSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000495689619 291066043 /nfs/dbraw/zinc/06/60/43/291066043.db2.gz UPUMLVFMWLAEHF-GJZGRUSLSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000495689619 291066046 /nfs/dbraw/zinc/06/60/46/291066046.db2.gz UPUMLVFMWLAEHF-GJZGRUSLSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)OC[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000495689619 291066047 /nfs/dbraw/zinc/06/60/47/291066047.db2.gz UPUMLVFMWLAEHF-GJZGRUSLSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)OC[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000495689619 291066049 /nfs/dbraw/zinc/06/60/49/291066049.db2.gz UPUMLVFMWLAEHF-GJZGRUSLSA-N 2 1 297.443 2.023 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](CO)CC(C)(C)C ZINC000451776989 283102108 /nfs/dbraw/zinc/10/21/08/283102108.db2.gz AXFOHLXDDDYZIF-UONOGXRCSA-N 2 1 256.434 2.200 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](CO)CC(C)(C)C ZINC000451776989 283102114 /nfs/dbraw/zinc/10/21/14/283102114.db2.gz AXFOHLXDDDYZIF-UONOGXRCSA-N 2 1 256.434 2.200 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](CO)CC(C)(C)C ZINC000451776989 283102116 /nfs/dbraw/zinc/10/21/16/283102116.db2.gz AXFOHLXDDDYZIF-UONOGXRCSA-N 2 1 256.434 2.200 20 0 CEADMP Cc1nc(C)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000683897491 540206416 /nfs/dbraw/zinc/20/64/16/540206416.db2.gz AHWUISCAXLRPDM-UHFFFAOYSA-N 2 1 260.341 2.394 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CSC2(C)C)[C@@H]2CCC[C@H]21 ZINC000353604167 283141830 /nfs/dbraw/zinc/14/18/30/283141830.db2.gz IQULRCWACODOEV-WUHRBBMRSA-N 2 1 254.443 2.343 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CCCC[NH+](C)C ZINC000577407308 314374852 /nfs/dbraw/zinc/37/48/52/314374852.db2.gz WGXZSAVDPNQOKT-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCO[C@H]1CCCCO1 ZINC000338285352 366273903 /nfs/dbraw/zinc/27/39/03/366273903.db2.gz KVZJZJKACSMYOO-INIZCTEOSA-N 2 1 295.427 2.447 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCO[C@H]1CCCCO1 ZINC000338285352 366273910 /nfs/dbraw/zinc/27/39/10/366273910.db2.gz KVZJZJKACSMYOO-INIZCTEOSA-N 2 1 295.427 2.447 20 0 CEADMP CC[NH+](CC)CCCN1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000338291276 366275719 /nfs/dbraw/zinc/27/57/19/366275719.db2.gz YKSXCPAJSCCQTP-GJZGRUSLSA-N 2 1 255.450 2.133 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000684370683 540253678 /nfs/dbraw/zinc/25/36/78/540253678.db2.gz GKQYBBMGJVRDHT-UONOGXRCSA-N 2 1 251.374 2.129 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000353482278 283187601 /nfs/dbraw/zinc/18/76/01/283187601.db2.gz LTMSPSNKOVZBIH-CABCVRRESA-N 2 1 266.433 2.372 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000353482278 283187602 /nfs/dbraw/zinc/18/76/02/283187602.db2.gz LTMSPSNKOVZBIH-CABCVRRESA-N 2 1 266.433 2.372 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000134412270 366318204 /nfs/dbraw/zinc/31/82/04/366318204.db2.gz XGBJLVMSXVNVKZ-HZMBPMFUSA-N 2 1 254.324 2.395 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000134412270 366318208 /nfs/dbraw/zinc/31/82/08/366318208.db2.gz XGBJLVMSXVNVKZ-HZMBPMFUSA-N 2 1 254.324 2.395 20 0 CEADMP OCCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134886712 366368903 /nfs/dbraw/zinc/36/89/03/366368903.db2.gz COLJODAGWQMOFO-HOCLYGCPSA-N 2 1 266.429 2.098 20 0 CEADMP OCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134886712 366368904 /nfs/dbraw/zinc/36/89/04/366368904.db2.gz COLJODAGWQMOFO-HOCLYGCPSA-N 2 1 266.429 2.098 20 0 CEADMP OCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134886712 366368908 /nfs/dbraw/zinc/36/89/08/366368908.db2.gz COLJODAGWQMOFO-HOCLYGCPSA-N 2 1 266.429 2.098 20 0 CEADMP C([NH2+][C@H]1CC[C@H]1C1CC1)C1([NH+]2CCCC2)CCOCC1 ZINC000348110483 538852287 /nfs/dbraw/zinc/85/22/87/538852287.db2.gz MUAHNWJREHKVTC-HOTGVXAUSA-N 2 1 278.440 2.410 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOc1ccc(F)cc1)C2 ZINC000394306943 538860217 /nfs/dbraw/zinc/86/02/17/538860217.db2.gz XODPMOGRRLTRHK-BBRMVZONSA-N 2 1 278.371 2.265 20 0 CEADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000353585549 540317108 /nfs/dbraw/zinc/31/71/08/540317108.db2.gz UHYUQQZUEVTPDL-LSDHHAIUSA-N 2 1 267.461 2.037 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)[C@@H]1C ZINC000353567619 291122692 /nfs/dbraw/zinc/12/26/92/291122692.db2.gz HAHPCLGGWLMHLY-XGUBFFRZSA-N 2 1 284.444 2.283 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)[C@@H]1C ZINC000353567619 291122695 /nfs/dbraw/zinc/12/26/95/291122695.db2.gz HAHPCLGGWLMHLY-XGUBFFRZSA-N 2 1 284.444 2.283 20 0 CEADMP COCc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000135086202 366394938 /nfs/dbraw/zinc/39/49/38/366394938.db2.gz UZXSXZOLROTZPD-BBRMVZONSA-N 2 1 262.397 2.263 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000338547527 366406308 /nfs/dbraw/zinc/40/63/08/366406308.db2.gz SMKUPMWMDOHCAG-HNNXBMFYSA-N 2 1 296.455 2.239 20 0 CEADMP COC(=O)C(C)(C)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000338547527 366406310 /nfs/dbraw/zinc/40/63/10/366406310.db2.gz SMKUPMWMDOHCAG-HNNXBMFYSA-N 2 1 296.455 2.239 20 0 CEADMP COC(=O)C(C)(C)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000338547527 366406314 /nfs/dbraw/zinc/40/63/14/366406314.db2.gz SMKUPMWMDOHCAG-HNNXBMFYSA-N 2 1 296.455 2.239 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000135199479 366407050 /nfs/dbraw/zinc/40/70/50/366407050.db2.gz JWJOHEVCHZGWCV-GUTXKFCHSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135199479 366407056 /nfs/dbraw/zinc/40/70/56/366407056.db2.gz JWJOHEVCHZGWCV-GUTXKFCHSA-N 2 1 274.412 2.014 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)cc1 ZINC000294832545 199202590 /nfs/dbraw/zinc/20/25/90/199202590.db2.gz LQWGJIFBVCNGEA-XFJVYGCCSA-N 2 1 271.364 2.355 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000578334203 366479293 /nfs/dbraw/zinc/47/92/93/366479293.db2.gz CPTFUUOIEGTLRX-IAGOWNOFSA-N 2 1 276.424 2.445 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000578334203 366479294 /nfs/dbraw/zinc/47/92/94/366479294.db2.gz CPTFUUOIEGTLRX-IAGOWNOFSA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000578334203 366479295 /nfs/dbraw/zinc/47/92/95/366479295.db2.gz CPTFUUOIEGTLRX-IAGOWNOFSA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000578334203 366479296 /nfs/dbraw/zinc/47/92/96/366479296.db2.gz CPTFUUOIEGTLRX-IAGOWNOFSA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000578616979 366519749 /nfs/dbraw/zinc/51/97/49/366519749.db2.gz AEJQKLHCFHURGR-QGZVFWFLSA-N 2 1 284.407 2.350 20 0 CEADMP COC(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OC ZINC000136758604 366525386 /nfs/dbraw/zinc/52/53/86/366525386.db2.gz PHKNGSZOVULLCR-OAHLLOKOSA-N 2 1 284.444 2.193 20 0 CEADMP COC(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OC ZINC000136758604 366525389 /nfs/dbraw/zinc/52/53/89/366525389.db2.gz PHKNGSZOVULLCR-OAHLLOKOSA-N 2 1 284.444 2.193 20 0 CEADMP C[C@H]1[N@H+](CC[NH2+]C(C)(C)C)CCC12CCOCC2 ZINC000414749677 291179401 /nfs/dbraw/zinc/17/94/01/291179401.db2.gz WMESWHGKTJGHLA-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1[N@@H+](CC[NH2+]C(C)(C)C)CCC12CCOCC2 ZINC000414749677 291179403 /nfs/dbraw/zinc/17/94/03/291179403.db2.gz WMESWHGKTJGHLA-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000311049882 540454088 /nfs/dbraw/zinc/45/40/88/540454088.db2.gz QMVZPJGURGQFDK-GJZGRUSLSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000311049882 540454091 /nfs/dbraw/zinc/45/40/91/540454091.db2.gz QMVZPJGURGQFDK-GJZGRUSLSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000311049882 540454092 /nfs/dbraw/zinc/45/40/92/540454092.db2.gz QMVZPJGURGQFDK-GJZGRUSLSA-N 2 1 256.434 2.200 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOCC2CCC2)[C@@H]2CCC[C@@H]21 ZINC000671760755 540504529 /nfs/dbraw/zinc/50/45/29/540504529.db2.gz BWBKDHUOARBKCZ-JYJNAYRXSA-N 2 1 266.429 2.266 20 0 CEADMP CCCn1nccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000667705713 540522802 /nfs/dbraw/zinc/52/28/02/540522802.db2.gz JKKMCHLEJVSGKU-GDBMZVCRSA-N 2 1 276.428 2.209 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC000666853259 540509335 /nfs/dbraw/zinc/50/93/35/540509335.db2.gz WRVJOHAPIQHQGE-GHMZBOCLSA-N 2 1 265.426 2.381 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cc4ccncc4s3)C[C@@H]2C1 ZINC000668077603 540564549 /nfs/dbraw/zinc/56/45/49/540564549.db2.gz SAQLHHVYJQVEDE-BETUJISGSA-N 2 1 273.405 2.290 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc4ccncc4s3)C[C@@H]2C1 ZINC000668077603 540564551 /nfs/dbraw/zinc/56/45/51/540564551.db2.gz SAQLHHVYJQVEDE-BETUJISGSA-N 2 1 273.405 2.290 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc4ccncc4s3)C[C@@H]2C1 ZINC000668077603 540564554 /nfs/dbraw/zinc/56/45/54/540564554.db2.gz SAQLHHVYJQVEDE-BETUJISGSA-N 2 1 273.405 2.290 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cc4ccncc4s3)C[C@@H]2C1 ZINC000668077603 540564557 /nfs/dbraw/zinc/56/45/57/540564557.db2.gz SAQLHHVYJQVEDE-BETUJISGSA-N 2 1 273.405 2.290 20 0 CEADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000551177403 540571400 /nfs/dbraw/zinc/57/14/00/540571400.db2.gz YZGNKHUBSAPZKE-ARFHVFGLSA-N 2 1 262.397 2.182 20 0 CEADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551177403 540571403 /nfs/dbraw/zinc/57/14/03/540571403.db2.gz YZGNKHUBSAPZKE-ARFHVFGLSA-N 2 1 262.397 2.182 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1scnc1C1CC1 ZINC000486973771 540612630 /nfs/dbraw/zinc/61/26/30/540612630.db2.gz WRQLXSMAYKZCHQ-SNVBAGLBSA-N 2 1 253.415 2.450 20 0 CEADMP C[NH+](C)C[C@@H]1CCN(CC[N@@H+](C)Cc2ccccc2)C1 ZINC000297487772 200206817 /nfs/dbraw/zinc/20/68/17/200206817.db2.gz MFTVWZDVDLFUBI-KRWDZBQOSA-N 2 1 275.440 2.002 20 0 CEADMP Cc1ccn2cc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]C3)nc2c1 ZINC000578857806 366556712 /nfs/dbraw/zinc/55/67/12/366556712.db2.gz ZWKHVHDSUVFXFN-KGLIPLIRSA-N 2 1 272.396 2.120 20 0 CEADMP COc1cccc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)c1 ZINC000297580712 200233199 /nfs/dbraw/zinc/23/31/99/200233199.db2.gz YQRVBTICLXDEKJ-QGZVFWFLSA-N 2 1 290.407 2.068 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1Cc2cc(C)ccc2CC1(C)C ZINC000579240943 366616716 /nfs/dbraw/zinc/61/67/16/366616716.db2.gz BZRKVGKGYLRGTB-KRWDZBQOSA-N 2 1 290.451 2.444 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1Cc2cc(C)ccc2CC1(C)C ZINC000579240943 366616719 /nfs/dbraw/zinc/61/67/19/366616719.db2.gz BZRKVGKGYLRGTB-KRWDZBQOSA-N 2 1 290.451 2.444 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1Cc2cc(C)ccc2CC1(C)C ZINC000579240943 366616723 /nfs/dbraw/zinc/61/67/23/366616723.db2.gz BZRKVGKGYLRGTB-KRWDZBQOSA-N 2 1 290.451 2.444 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1Cc2cc(C)ccc2CC1(C)C ZINC000579240943 366616725 /nfs/dbraw/zinc/61/67/25/366616725.db2.gz BZRKVGKGYLRGTB-KRWDZBQOSA-N 2 1 290.451 2.444 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCN(C)Cc2ccccc2)[C@H](C)C1 ZINC000151028074 366613434 /nfs/dbraw/zinc/61/34/34/366613434.db2.gz NUKGRXYWHVRMRV-SJLPKXTDSA-N 2 1 289.467 2.438 20 0 CEADMP CC[N@@H+]1CC[C@@H](NCC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000151028074 366613441 /nfs/dbraw/zinc/61/34/41/366613441.db2.gz NUKGRXYWHVRMRV-SJLPKXTDSA-N 2 1 289.467 2.438 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000151028074 366613446 /nfs/dbraw/zinc/61/34/46/366613446.db2.gz NUKGRXYWHVRMRV-SJLPKXTDSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000151028074 366613453 /nfs/dbraw/zinc/61/34/53/366613453.db2.gz NUKGRXYWHVRMRV-SJLPKXTDSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000151028074 366613458 /nfs/dbraw/zinc/61/34/58/366613458.db2.gz NUKGRXYWHVRMRV-SJLPKXTDSA-N 2 1 289.467 2.438 20 0 CEADMP Cc1nsc(C)c1CN1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000579370149 366637220 /nfs/dbraw/zinc/63/72/20/366637220.db2.gz ZAVZZIZDLRPGPY-NSHDSACASA-N 2 1 297.468 2.037 20 0 CEADMP Fc1ccccc1OCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066250 366638802 /nfs/dbraw/zinc/63/88/02/366638802.db2.gz JKSXQEOGLDKLSU-KBPBESRZSA-N 2 1 278.371 2.421 20 0 CEADMP OCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000339073642 366641029 /nfs/dbraw/zinc/64/10/29/366641029.db2.gz CGFWEAYZMPSNRT-LSDHHAIUSA-N 2 1 278.371 2.034 20 0 CEADMP OCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000339073642 366641035 /nfs/dbraw/zinc/64/10/35/366641035.db2.gz CGFWEAYZMPSNRT-LSDHHAIUSA-N 2 1 278.371 2.034 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH+](C)C)CCCO2 ZINC000151909786 366674250 /nfs/dbraw/zinc/67/42/50/366674250.db2.gz ITPZCRWBAJPCMT-OAHLLOKOSA-N 2 1 278.396 2.450 20 0 CEADMP Cc1cc(N2CCC([NH2+][C@@H](C)C3CC3)CC2)nc(C)[nH+]1 ZINC000177604372 189059720 /nfs/dbraw/zinc/05/97/20/189059720.db2.gz QMQDTDYQYWDKNW-LBPRGKRZSA-N 2 1 274.412 2.450 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000177987557 189083424 /nfs/dbraw/zinc/08/34/24/189083424.db2.gz GRSDUOHCTBJZSY-AWEZNQCLSA-N 2 1 292.423 2.240 20 0 CEADMP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCOC1 ZINC000675494851 540847933 /nfs/dbraw/zinc/84/79/33/540847933.db2.gz FCQHOXUWHZGEJU-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCOC1 ZINC000675494851 540847936 /nfs/dbraw/zinc/84/79/36/540847936.db2.gz FCQHOXUWHZGEJU-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCOC1 ZINC000675494851 540847939 /nfs/dbraw/zinc/84/79/39/540847939.db2.gz FCQHOXUWHZGEJU-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H](CO)c2ccccc2C)CC1 ZINC000675926401 540883406 /nfs/dbraw/zinc/88/34/06/540883406.db2.gz PLZMPDULZGUAST-KRWDZBQOSA-N 2 1 276.424 2.492 20 0 CEADMP COCCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179636771 189208987 /nfs/dbraw/zinc/20/89/87/189208987.db2.gz IDXASIIRACRMHX-OAHLLOKOSA-N 2 1 292.423 2.095 20 0 CEADMP COCCOc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179636771 189208988 /nfs/dbraw/zinc/20/89/88/189208988.db2.gz IDXASIIRACRMHX-OAHLLOKOSA-N 2 1 292.423 2.095 20 0 CEADMP CCC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882886 540878826 /nfs/dbraw/zinc/87/88/26/540878826.db2.gz UONBEYDXINBQIC-ZFWWWQNUSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180156398 189240050 /nfs/dbraw/zinc/24/00/50/189240050.db2.gz BIODGFUALKTRFA-XLAORIBOSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180113284 189237126 /nfs/dbraw/zinc/23/71/26/189237126.db2.gz ZMVRCRORJSGRHY-HZTRTUMWSA-N 2 1 274.408 2.152 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnc4ccccn34)C2)CC1 ZINC000677474922 541017370 /nfs/dbraw/zinc/01/73/70/541017370.db2.gz DHHDKVUEMTVKEC-INIZCTEOSA-N 2 1 298.434 2.498 20 0 CEADMP Cn1cncc1CCC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000579731211 366694030 /nfs/dbraw/zinc/69/40/30/366694030.db2.gz ZYKMKHWEDDVWMT-HOTGVXAUSA-N 2 1 289.423 2.386 20 0 CEADMP CO[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCOCC1 ZINC000638699420 370694577 /nfs/dbraw/zinc/69/45/77/370694577.db2.gz AIMVGQMCCRJVHQ-HMQMGEFJSA-N 2 1 296.455 2.033 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000011888596 361367140 /nfs/dbraw/zinc/36/71/40/361367140.db2.gz JMADMGWXNVJOGW-GFCCVEGCSA-N 2 1 268.788 2.390 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000011888596 361367146 /nfs/dbraw/zinc/36/71/46/361367146.db2.gz JMADMGWXNVJOGW-GFCCVEGCSA-N 2 1 268.788 2.390 20 0 CEADMP CCc1nc([C@H]2CCCCN2CCn2cc[nH+]c2C)no1 ZINC000677981144 541064488 /nfs/dbraw/zinc/06/44/88/541064488.db2.gz VRHKTTZPAPERPM-CYBMUJFWSA-N 2 1 289.383 2.364 20 0 CEADMP CO[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000183014169 189343063 /nfs/dbraw/zinc/34/30/63/189343063.db2.gz SRFHPKLFWPYHSW-AWEZNQCLSA-N 2 1 262.397 2.276 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000580271005 366772232 /nfs/dbraw/zinc/77/22/32/366772232.db2.gz CLWIXTZFMFXNGZ-RBSFLKMASA-N 2 1 293.480 2.282 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000340206030 366803376 /nfs/dbraw/zinc/80/33/76/366803376.db2.gz LCTWLXNRFMAJFH-CVEARBPZSA-N 2 1 295.471 2.147 20 0 CEADMP CO[C@]1(C)C[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1(C)C ZINC000155131526 366808310 /nfs/dbraw/zinc/80/83/10/366808310.db2.gz SNVIFBMYIJZYKX-QVHKTLOISA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@]1(C)C[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1(C)C ZINC000155131526 366808315 /nfs/dbraw/zinc/80/83/15/366808315.db2.gz SNVIFBMYIJZYKX-QVHKTLOISA-N 2 1 254.418 2.262 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000154642597 366784176 /nfs/dbraw/zinc/78/41/76/366784176.db2.gz IIANMMOOYDKARV-FXUDXRNXSA-N 2 1 270.461 2.349 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000183321852 189354932 /nfs/dbraw/zinc/35/49/32/189354932.db2.gz YIQSEHUBGGSJQN-SWLSCSKDSA-N 2 1 287.411 2.302 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000571800085 299328791 /nfs/dbraw/zinc/32/87/91/299328791.db2.gz QNHWDIVRPQOIGA-HNNXBMFYSA-N 2 1 270.380 2.043 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C1([NH3+])CCCCC1 ZINC000019424601 361534360 /nfs/dbraw/zinc/53/43/60/361534360.db2.gz UNLMFQYKUFKNDX-AWEZNQCLSA-N 2 1 281.444 2.029 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CCCCO ZINC000679338084 541259636 /nfs/dbraw/zinc/25/96/36/541259636.db2.gz BPMWCGGOYKWPOB-QLFBSQMISA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CCCCO ZINC000679338084 541259639 /nfs/dbraw/zinc/25/96/39/541259639.db2.gz BPMWCGGOYKWPOB-QLFBSQMISA-N 2 1 256.434 2.248 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000087407140 363853036 /nfs/dbraw/zinc/85/30/36/363853036.db2.gz QKXSGFQJPMUSLR-LBPRGKRZSA-N 2 1 264.417 2.252 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000087409903 363853981 /nfs/dbraw/zinc/85/39/81/363853981.db2.gz CYGFPGQVFYIDFG-STQMWFEESA-N 2 1 264.417 2.111 20 0 CEADMP COc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000088164409 363880107 /nfs/dbraw/zinc/88/01/07/363880107.db2.gz WSOOWTMXSKZHKM-GOOCMWNKSA-N 2 1 275.396 2.195 20 0 CEADMP COc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC000088164409 363880118 /nfs/dbraw/zinc/88/01/18/363880118.db2.gz WSOOWTMXSKZHKM-GOOCMWNKSA-N 2 1 275.396 2.195 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000090714933 364063063 /nfs/dbraw/zinc/06/30/63/364063063.db2.gz GUXFTOSMOVGJJH-LXTVHRRPSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000090714933 364063070 /nfs/dbraw/zinc/06/30/70/364063070.db2.gz GUXFTOSMOVGJJH-LXTVHRRPSA-N 2 1 252.402 2.018 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)CC2CC[NH2+]CC2)cc1OC ZINC000094024760 364247881 /nfs/dbraw/zinc/24/78/81/364247881.db2.gz SZIGTHKIGLFCGX-UHFFFAOYSA-N 2 1 292.423 2.444 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000356604723 370770490 /nfs/dbraw/zinc/77/04/90/370770490.db2.gz SNSPFFAKBAHPFW-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000356604723 370770492 /nfs/dbraw/zinc/77/04/92/370770492.db2.gz SNSPFFAKBAHPFW-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000356604723 370770493 /nfs/dbraw/zinc/77/04/93/370770493.db2.gz SNSPFFAKBAHPFW-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP Cc1ccn2cc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)nc2c1 ZINC000335032805 364380168 /nfs/dbraw/zinc/38/01/68/364380168.db2.gz ARHJXWKKQWPTOM-ZFWWWQNUSA-N 2 1 272.396 2.120 20 0 CEADMP CCO[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000581925397 366835430 /nfs/dbraw/zinc/83/54/30/366835430.db2.gz ATEAMYLANJCREQ-RBSFLKMASA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000157786730 366848719 /nfs/dbraw/zinc/84/87/19/366848719.db2.gz WGWJLPJVGAUPTC-IPQWEPCOSA-N 2 1 266.429 2.262 20 0 CEADMP Cc1cnc(C)nc1N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000582072824 366859680 /nfs/dbraw/zinc/85/96/80/366859680.db2.gz KNEJWRFULSPVDK-YPMHNXCESA-N 2 1 262.401 2.048 20 0 CEADMP Cc1cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)ccc1F ZINC000582090352 366860680 /nfs/dbraw/zinc/86/06/80/366860680.db2.gz VSOCVOSAXFHZDF-UHFFFAOYSA-N 2 1 295.446 2.449 20 0 CEADMP C[N@@H+](CCOc1ccccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000104097117 364677670 /nfs/dbraw/zinc/67/76/70/364677670.db2.gz IHLHELVSLTZQLG-AWEZNQCLSA-N 2 1 280.387 2.478 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000104136821 364681719 /nfs/dbraw/zinc/68/17/19/364681719.db2.gz KTJHEROIKHWFTC-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335634035 212348315 /nfs/dbraw/zinc/34/83/15/212348315.db2.gz LTDOPCMDFRVMKI-HOTGVXAUSA-N 2 1 298.434 2.464 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(Cl)cn23)CC[NH2+]1 ZINC000335639744 212354722 /nfs/dbraw/zinc/35/47/22/212354722.db2.gz LIXSPMQCAHLVDE-ZYHUDNBSSA-N 2 1 278.787 2.218 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000335636642 212351672 /nfs/dbraw/zinc/35/16/72/212351672.db2.gz NKUXPRBPYVWHGU-WMLDXEAASA-N 2 1 273.424 2.243 20 0 CEADMP c1[nH]nc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)ccc12 ZINC000335631334 212345156 /nfs/dbraw/zinc/34/51/56/212345156.db2.gz AVVPHGZIMXPQHO-GDBMZVCRSA-N 2 1 284.407 2.384 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])CCCC2 ZINC000335614344 212327540 /nfs/dbraw/zinc/32/75/40/212327540.db2.gz XRQRDAZYUVYFPK-UKRRQHHQSA-N 2 1 276.428 2.049 20 0 CEADMP C[C@H](CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C[NH+]1CCCC1 ZINC000245201352 370806252 /nfs/dbraw/zinc/80/62/52/370806252.db2.gz HPYKDRAKISFYBX-LVQVYYBASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]1CC[N@H+](C)CCN1Cc1cc(-n2ccnc2)cs1 ZINC000335991615 365261016 /nfs/dbraw/zinc/26/10/16/365261016.db2.gz QKZWMISOIGFLHZ-ZDUSSCGKSA-N 2 1 290.436 2.460 20 0 CEADMP C[C@H]1CC[N@@H+](C)CCN1Cc1cc(-n2ccnc2)cs1 ZINC000335991615 365261030 /nfs/dbraw/zinc/26/10/30/365261030.db2.gz QKZWMISOIGFLHZ-ZDUSSCGKSA-N 2 1 290.436 2.460 20 0 CEADMP COCC1(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000340444398 366886526 /nfs/dbraw/zinc/88/65/26/366886526.db2.gz LUQULDOLHZYJTN-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C1 ZINC000582221313 366879477 /nfs/dbraw/zinc/87/94/77/366879477.db2.gz PBEDHVMZTBJCPN-ZMSDIMECSA-N 2 1 290.455 2.376 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCCC)CC1 ZINC000120243096 365394374 /nfs/dbraw/zinc/39/43/74/365394374.db2.gz CVOOUSZWFQOYFW-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)F)[C@@H](C)C1 ZINC000340464945 366892898 /nfs/dbraw/zinc/89/28/98/366892898.db2.gz JFMCLQCMJMXSKA-ZNMIVQPWSA-N 2 1 274.424 2.461 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000340469803 366897625 /nfs/dbraw/zinc/89/76/25/366897625.db2.gz MCQNVRYEFAPUJZ-QGZVFWFLSA-N 2 1 292.423 2.328 20 0 CEADMP Cc1cnccc1NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000120828747 365481162 /nfs/dbraw/zinc/48/11/62/365481162.db2.gz FVJFJXOMKVHCBI-CQSZACIVSA-N 2 1 290.411 2.489 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)o1 ZINC000336155950 365488068 /nfs/dbraw/zinc/48/80/68/365488068.db2.gz QSMWOFABJFVPTR-ZWNOBZJWSA-N 2 1 274.368 2.147 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)o1 ZINC000336155950 365488070 /nfs/dbraw/zinc/48/80/70/365488070.db2.gz QSMWOFABJFVPTR-ZWNOBZJWSA-N 2 1 274.368 2.147 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)[C@@H]1C ZINC000582601704 366932760 /nfs/dbraw/zinc/93/27/60/366932760.db2.gz TXEOCYINCVSAMI-KQTLUZQSSA-N 2 1 268.445 2.103 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)[C@@H]1C ZINC000582601704 366932764 /nfs/dbraw/zinc/93/27/64/366932764.db2.gz TXEOCYINCVSAMI-KQTLUZQSSA-N 2 1 268.445 2.103 20 0 CEADMP COCC1(CC[NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000582724815 366948868 /nfs/dbraw/zinc/94/88/68/366948868.db2.gz HSDXIUNNTVAHCW-UHFFFAOYSA-N 2 1 263.385 2.054 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+]C1(CCO)CCCCC1 ZINC000582794030 366958492 /nfs/dbraw/zinc/95/84/92/366958492.db2.gz ZDLFNQXYGQNKHH-UHFFFAOYSA-N 2 1 265.401 2.028 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)c1cnc(OC)c(Cl)c1 ZINC000582958615 366981945 /nfs/dbraw/zinc/98/19/45/366981945.db2.gz HEIIBFIORMPREL-SNVBAGLBSA-N 2 1 271.792 2.394 20 0 CEADMP CC[N@H+]1CC[C@H](NCCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000161768898 367112242 /nfs/dbraw/zinc/11/22/42/367112242.db2.gz HTCXUCGRFVLQFK-SJORKVTESA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000161768898 367112247 /nfs/dbraw/zinc/11/22/47/367112247.db2.gz HTCXUCGRFVLQFK-SJORKVTESA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000161768898 367112253 /nfs/dbraw/zinc/11/22/53/367112253.db2.gz HTCXUCGRFVLQFK-SJORKVTESA-N 3 1 281.488 2.428 20 0 CEADMP Cc1cc(Br)ccc1C[NH2+][C@@H](C)C[NH3+] ZINC000162059818 367134852 /nfs/dbraw/zinc/13/48/52/367134852.db2.gz VEODKEQTGJLEDJ-VIFPVBQESA-N 2 1 257.175 2.194 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335545243 212247137 /nfs/dbraw/zinc/24/71/37/212247137.db2.gz ZEXKOXQJNVWVLS-AWEZNQCLSA-N 2 1 276.428 2.428 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)C2CCCCC2)CC[N@@H+]1C ZINC000245680626 370856867 /nfs/dbraw/zinc/85/68/67/370856867.db2.gz MNHGBOPWQDPSMK-VNQPRFMTSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)C2CCCCC2)CC[N@H+]1C ZINC000245680626 370856870 /nfs/dbraw/zinc/85/68/70/370856870.db2.gz MNHGBOPWQDPSMK-VNQPRFMTSA-N 2 1 268.445 2.390 20 0 CEADMP Cc1cnn([C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000245600942 370846539 /nfs/dbraw/zinc/84/65/39/370846539.db2.gz IVKNYMPTIPRPKU-HZPDHXFCSA-N 2 1 276.428 2.313 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000163249779 367227501 /nfs/dbraw/zinc/22/75/01/367227501.db2.gz JVKZNTXXXNQFBF-VXGBXAGGSA-N 2 1 268.788 2.388 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000163249779 367227505 /nfs/dbraw/zinc/22/75/05/367227505.db2.gz JVKZNTXXXNQFBF-VXGBXAGGSA-N 2 1 268.788 2.388 20 0 CEADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000341245743 367241304 /nfs/dbraw/zinc/24/13/04/367241304.db2.gz DREIBSRXJHIGSK-ILXRZTDVSA-N 2 1 278.444 2.467 20 0 CEADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000341245743 367241310 /nfs/dbraw/zinc/24/13/10/367241310.db2.gz DREIBSRXJHIGSK-ILXRZTDVSA-N 2 1 278.444 2.467 20 0 CEADMP CC(C)[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CC1 ZINC000168346762 367351916 /nfs/dbraw/zinc/35/19/16/367351916.db2.gz AZSNGFPZVKLOTE-AWEZNQCLSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@](O)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000166680105 367327210 /nfs/dbraw/zinc/32/72/10/367327210.db2.gz JUSXUTXQWPXYIA-RRFJBIMHSA-N 2 1 280.437 2.172 20 0 CEADMP C[C@H]([NH2+]CC1(CO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681390936 541545245 /nfs/dbraw/zinc/54/52/45/541545245.db2.gz RGRVQGYYUAPKDK-RDJZCZTQSA-N 2 1 288.435 2.259 20 0 CEADMP CCC1CC([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000342569953 367427192 /nfs/dbraw/zinc/42/71/92/367427192.db2.gz ANDIJKDPAKGXOR-NFOMZHRRSA-N 2 1 254.418 2.266 20 0 CEADMP CCC1CC([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000342569953 367427197 /nfs/dbraw/zinc/42/71/97/367427197.db2.gz ANDIJKDPAKGXOR-NFOMZHRRSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631583067 367418536 /nfs/dbraw/zinc/41/85/36/367418536.db2.gz VROGEERRXJBLRO-XJKSGUPXSA-N 2 1 259.397 2.390 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(CO)cc3)CC[C@@H]21 ZINC000168740865 367358874 /nfs/dbraw/zinc/35/88/74/367358874.db2.gz QEQGJOGIWFSPAP-SJORKVTESA-N 2 1 274.408 2.095 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(CO)cc3)CC[C@@H]21 ZINC000168740865 367358879 /nfs/dbraw/zinc/35/88/79/367358879.db2.gz QEQGJOGIWFSPAP-SJORKVTESA-N 2 1 274.408 2.095 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)CC[C@@H]21 ZINC000168740865 367358885 /nfs/dbraw/zinc/35/88/85/367358885.db2.gz QEQGJOGIWFSPAP-SJORKVTESA-N 2 1 274.408 2.095 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCCCO)CC1 ZINC000171064667 367469402 /nfs/dbraw/zinc/46/94/02/367469402.db2.gz DLWZMHBIORZTOB-UHFFFAOYSA-N 2 1 256.434 2.203 20 0 CEADMP C[NH+](CCC[N@H+](C)CC[C@H]1CCCO1)CC[C@H]1CCCO1 ZINC000342608079 367448336 /nfs/dbraw/zinc/44/83/36/367448336.db2.gz SMXWWCHKKBTCIF-IAGOWNOFSA-N 2 1 298.471 2.378 20 0 CEADMP c1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c2c(c1)COCC2 ZINC000631827639 367565534 /nfs/dbraw/zinc/56/55/34/367565534.db2.gz SEZPYBXRGMIFEL-GOSISDBHSA-N 2 1 286.419 2.335 20 0 CEADMP C(c1nc(C2CCC2)no1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000631827636 367565787 /nfs/dbraw/zinc/56/57/87/367565787.db2.gz SCJOLKGVLJIADD-KGLIPLIRSA-N 2 1 290.411 2.159 20 0 CEADMP C[C@H]1OCC[C@@H]1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000631826147 367564591 /nfs/dbraw/zinc/56/45/91/367564591.db2.gz FZMAPWRYNPDVAR-UKRRQHHQSA-N 2 1 254.418 2.252 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833411 367571372 /nfs/dbraw/zinc/57/13/72/367571372.db2.gz ACIKFCJTPKEYNQ-GFCCVEGCSA-N 2 1 253.415 2.197 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833411 367571375 /nfs/dbraw/zinc/57/13/75/367571375.db2.gz ACIKFCJTPKEYNQ-GFCCVEGCSA-N 2 1 253.415 2.197 20 0 CEADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000631829283 367567815 /nfs/dbraw/zinc/56/78/15/367567815.db2.gz MMFSWCSIUPUOSQ-JKSUJKDBSA-N 2 1 266.429 2.267 20 0 CEADMP COc1ccc(Cl)cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840538 367580724 /nfs/dbraw/zinc/58/07/24/367580724.db2.gz TUBBPHJHEKHSPY-ZYHUDNBSSA-N 2 1 268.788 2.375 20 0 CEADMP COc1ccc(Cl)cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840538 367580729 /nfs/dbraw/zinc/58/07/29/367580729.db2.gz TUBBPHJHEKHSPY-ZYHUDNBSSA-N 2 1 268.788 2.375 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1C ZINC000335543449 212241313 /nfs/dbraw/zinc/24/13/13/212241313.db2.gz LHZRCWLADLWPQR-CYBMUJFWSA-N 2 1 290.455 2.484 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC000631837090 367577172 /nfs/dbraw/zinc/57/71/72/367577172.db2.gz MSVFRYDWWNTACL-CJNGLKHVSA-N 2 1 282.391 2.170 20 0 CEADMP Fc1cccc(O[C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000631879174 367604925 /nfs/dbraw/zinc/60/49/25/367604925.db2.gz MSYDBVJFOUOYRE-XJKSGUPXSA-N 2 1 278.371 2.278 20 0 CEADMP Fc1ccccc1OCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886213 367608831 /nfs/dbraw/zinc/60/88/31/367608831.db2.gz HUXIGLRXTZAVPD-ZFWWWQNUSA-N 2 1 278.371 2.278 20 0 CEADMP Fc1ccccc1OCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886213 367608834 /nfs/dbraw/zinc/60/88/34/367608834.db2.gz HUXIGLRXTZAVPD-ZFWWWQNUSA-N 2 1 278.371 2.278 20 0 CEADMP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)[C@H]1CCCCO1 ZINC000631889197 367611117 /nfs/dbraw/zinc/61/11/17/367611117.db2.gz DFMWVDQNXQBOJP-KFWWJZLASA-N 2 1 252.402 2.020 20 0 CEADMP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)[C@H]1CCCCO1 ZINC000631889197 367611121 /nfs/dbraw/zinc/61/11/21/367611121.db2.gz DFMWVDQNXQBOJP-KFWWJZLASA-N 2 1 252.402 2.020 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CCc2ccc(Cl)cc21)C[NH+]1CCCC1 ZINC000343099311 367668345 /nfs/dbraw/zinc/66/83/45/367668345.db2.gz CRMJOGUKMYIAFF-GDBMZVCRSA-N 2 1 294.826 2.374 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2cncn2C)C1 ZINC000572539086 299377493 /nfs/dbraw/zinc/37/74/93/299377493.db2.gz UVIBAKBWMMQTOJ-HNNXBMFYSA-N 2 1 278.444 2.016 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCc2cncn2C)C1 ZINC000572539086 299377496 /nfs/dbraw/zinc/37/74/96/299377496.db2.gz UVIBAKBWMMQTOJ-HNNXBMFYSA-N 2 1 278.444 2.016 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2cncn2C)C1 ZINC000572539086 299377501 /nfs/dbraw/zinc/37/75/01/299377501.db2.gz UVIBAKBWMMQTOJ-HNNXBMFYSA-N 3 1 278.444 2.016 20 0 CEADMP CC(C)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000343251934 367726420 /nfs/dbraw/zinc/72/64/20/367726420.db2.gz NKURYRKECKKMPE-RBSFLKMASA-N 2 1 254.418 2.169 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCn2ccnc2)C[C@@H]1C ZINC000343314855 367751379 /nfs/dbraw/zinc/75/13/79/367751379.db2.gz OORIONIWQWUXAP-LSDHHAIUSA-N 2 1 264.417 2.078 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCn2ccnc2)C[C@@H]1C ZINC000343314855 367751383 /nfs/dbraw/zinc/75/13/83/367751383.db2.gz OORIONIWQWUXAP-LSDHHAIUSA-N 2 1 264.417 2.078 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCn2ccnc2)C[C@@H]1C ZINC000343314855 367751386 /nfs/dbraw/zinc/75/13/86/367751386.db2.gz OORIONIWQWUXAP-LSDHHAIUSA-N 2 1 264.417 2.078 20 0 CEADMP c1csc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000358038941 370879167 /nfs/dbraw/zinc/87/91/67/370879167.db2.gz PPYDSTIARVLQCT-STQMWFEESA-N 2 1 265.426 2.292 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc3nccn32)[C@@H](C)C1 ZINC000245854230 370880188 /nfs/dbraw/zinc/88/01/88/370880188.db2.gz NBJZKYNEYOZTSM-GOEBONIOSA-N 2 1 286.423 2.496 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3nccn32)[C@@H](C)C1 ZINC000245854230 370880195 /nfs/dbraw/zinc/88/01/95/370880195.db2.gz NBJZKYNEYOZTSM-GOEBONIOSA-N 2 1 286.423 2.496 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3nccn32)[C@@H](C)C1 ZINC000245854230 370880203 /nfs/dbraw/zinc/88/02/03/370880203.db2.gz NBJZKYNEYOZTSM-GOEBONIOSA-N 3 1 286.423 2.496 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3nccn32)[C@@H](C)C1 ZINC000245854230 370880208 /nfs/dbraw/zinc/88/02/08/370880208.db2.gz NBJZKYNEYOZTSM-GOEBONIOSA-N 3 1 286.423 2.496 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3nccn32)[C@@H](C)C1 ZINC000245854230 370880209 /nfs/dbraw/zinc/88/02/09/370880209.db2.gz NBJZKYNEYOZTSM-GOEBONIOSA-N 3 1 286.423 2.496 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C ZINC000245950482 370893312 /nfs/dbraw/zinc/89/33/12/370893312.db2.gz LBIMATGZSLYGRB-QDMKHBRRSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC[C@@H]1C ZINC000245950482 370893317 /nfs/dbraw/zinc/89/33/17/370893317.db2.gz LBIMATGZSLYGRB-QDMKHBRRSA-N 2 1 254.418 2.096 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)Cc1ccccc1 ZINC000173641469 367929316 /nfs/dbraw/zinc/92/93/16/367929316.db2.gz JWBUOJADTOSNLW-ZWKOTPCHSA-N 2 1 290.451 2.396 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000343556157 367881586 /nfs/dbraw/zinc/88/15/86/367881586.db2.gz BGOWVKXTOCPCLH-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000343652930 284005497 /nfs/dbraw/zinc/00/54/97/284005497.db2.gz HFCNWCPSLBMRIR-DZKIICNBSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000343698914 367960523 /nfs/dbraw/zinc/96/05/23/367960523.db2.gz XIMGUNFEECPKJJ-RBSFLKMASA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000343698914 367960525 /nfs/dbraw/zinc/96/05/25/367960525.db2.gz XIMGUNFEECPKJJ-RBSFLKMASA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000344227127 368114960 /nfs/dbraw/zinc/11/49/60/368114960.db2.gz VDZBTMPETHRBAX-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000344227127 368114966 /nfs/dbraw/zinc/11/49/66/368114966.db2.gz VDZBTMPETHRBAX-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(=O)[nH]n1 ZINC000285474511 296121879 /nfs/dbraw/zinc/12/18/79/296121879.db2.gz BCIIIRRLGRDPAF-ZIAGYGMSSA-N 2 1 292.427 2.075 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cnoc2C)C1 ZINC000181730539 368489196 /nfs/dbraw/zinc/48/91/96/368489196.db2.gz PZABJVVHPIFOND-ZDUSSCGKSA-N 2 1 251.374 2.147 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@@H]1C ZINC000345945064 368491614 /nfs/dbraw/zinc/49/16/14/368491614.db2.gz GGHBWLUOMWQIAW-JYJNAYRXSA-N 2 1 295.471 2.192 20 0 CEADMP COC[C@@H](C)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346130465 368552573 /nfs/dbraw/zinc/55/25/73/368552573.db2.gz IKKZSANANMOTHW-GFCCVEGCSA-N 2 1 274.368 2.042 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346204196 368591302 /nfs/dbraw/zinc/59/13/02/368591302.db2.gz PJORGOIGQWQHJQ-CYBMUJFWSA-N 2 1 290.436 2.317 20 0 CEADMP CCN(CC[NH+]1CCCCCC1)C(=O)C[N@@H+](C)C(C)C ZINC000346299240 368626475 /nfs/dbraw/zinc/62/64/75/368626475.db2.gz OUGMNIRRGYODNK-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)[C@@H](C)C1 ZINC000346471747 368687232 /nfs/dbraw/zinc/68/72/32/368687232.db2.gz BDXZPKWMEMPDPC-JONQDZQNSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)[C@@H](C)C1 ZINC000346471747 368687238 /nfs/dbraw/zinc/68/72/38/368687238.db2.gz BDXZPKWMEMPDPC-JONQDZQNSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)[C@@H](C)C1 ZINC000346471747 368687244 /nfs/dbraw/zinc/68/72/44/368687244.db2.gz BDXZPKWMEMPDPC-JONQDZQNSA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)[C@@H](C)C1 ZINC000246162527 370917951 /nfs/dbraw/zinc/91/79/51/370917951.db2.gz FELZTWAUOIGNOB-RISOHXOYSA-N 2 1 294.464 2.244 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)[C@@H](C)C1 ZINC000246162527 370917953 /nfs/dbraw/zinc/91/79/53/370917953.db2.gz FELZTWAUOIGNOB-RISOHXOYSA-N 2 1 294.464 2.244 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346676779 368764722 /nfs/dbraw/zinc/76/47/22/368764722.db2.gz KLIJQCKNRAYNIL-CQSZACIVSA-N 2 1 280.460 2.350 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346676779 368764725 /nfs/dbraw/zinc/76/47/25/368764725.db2.gz KLIJQCKNRAYNIL-CQSZACIVSA-N 2 1 280.460 2.350 20 0 CEADMP CC(C)c1cnc(C[NH+]2CCC(C[NH3+])CC2)s1 ZINC000346636847 368745181 /nfs/dbraw/zinc/74/51/81/368745181.db2.gz IBFVZEZFLNIAML-UHFFFAOYSA-N 2 1 253.415 2.437 20 0 CEADMP CC[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)[NH+]1CCCC1 ZINC000634678109 368807915 /nfs/dbraw/zinc/80/79/15/368807915.db2.gz ITPGBWSONUBEGU-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)O1 ZINC000634688378 368816731 /nfs/dbraw/zinc/81/67/31/368816731.db2.gz QNFNGQLKCHHVQG-KKOKHZNYSA-N 2 1 280.334 2.013 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)O1 ZINC000634688378 368816734 /nfs/dbraw/zinc/81/67/34/368816734.db2.gz QNFNGQLKCHHVQG-KKOKHZNYSA-N 2 1 280.334 2.013 20 0 CEADMP Cn1c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)nc2ccccc21 ZINC000634733027 368844673 /nfs/dbraw/zinc/84/46/73/368844673.db2.gz VJPSALJNNDAIHG-ZDUSSCGKSA-N 2 1 286.423 2.441 20 0 CEADMP O[C@@]1(C[NH2+]C2CC(F)(F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634713289 368834665 /nfs/dbraw/zinc/83/46/65/368834665.db2.gz TYCAXEKZMVPLSY-OAHLLOKOSA-N 2 1 296.361 2.011 20 0 CEADMP O[C@@]1(C[NH2+]C2CC(F)(F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713289 368834668 /nfs/dbraw/zinc/83/46/68/368834668.db2.gz TYCAXEKZMVPLSY-OAHLLOKOSA-N 2 1 296.361 2.011 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000634724883 368840057 /nfs/dbraw/zinc/84/00/57/368840057.db2.gz ZFNSORQJCUSKFP-OIISXLGYSA-N 2 1 276.424 2.115 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000346694516 368777924 /nfs/dbraw/zinc/77/79/24/368777924.db2.gz UQOGCYTWPOHZDO-WCQYABFASA-N 2 1 284.350 2.500 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCSCC)[C@H](C)C1 ZINC000185289703 368781273 /nfs/dbraw/zinc/78/12/73/368781273.db2.gz CXEGMNIJBOWQAM-CABCVRRESA-N 2 1 288.501 2.466 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000347017378 368796418 /nfs/dbraw/zinc/79/64/18/368796418.db2.gz DMTSQZJPQSHLFH-KGLIPLIRSA-N 2 1 262.397 2.340 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC2CCC2)C[C@H]1C ZINC000347053951 368797648 /nfs/dbraw/zinc/79/76/48/368797648.db2.gz LNQWPSJMAFEUMZ-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@]1(C)C1CCCCC1)C1CC1 ZINC000634652333 368799058 /nfs/dbraw/zinc/79/90/58/368799058.db2.gz NWUMMEDGWANVTQ-SJORKVTESA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@]1(C)C1CCCCC1)C1CC1 ZINC000634652333 368799061 /nfs/dbraw/zinc/79/90/61/368799061.db2.gz NWUMMEDGWANVTQ-SJORKVTESA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@]1(C)C1CCCCC1)C1CC1 ZINC000634652333 368799065 /nfs/dbraw/zinc/79/90/65/368799065.db2.gz NWUMMEDGWANVTQ-SJORKVTESA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@]1(C)C1CCCCC1)C1CC1 ZINC000634652333 368799070 /nfs/dbraw/zinc/79/90/70/368799070.db2.gz NWUMMEDGWANVTQ-SJORKVTESA-N 2 1 280.456 2.486 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@H]3CC[NH2+][C@H](C)C3)c2c1C ZINC000634808489 368896928 /nfs/dbraw/zinc/89/69/28/368896928.db2.gz VAYUDECILKVBTL-KCJUWKMLSA-N 2 1 259.357 2.127 20 0 CEADMP CC[C@@H]1CC[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000348108986 368901351 /nfs/dbraw/zinc/90/13/51/368901351.db2.gz XZIIVJOGDADNQM-CVEARBPZSA-N 2 1 267.461 2.038 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH2+]C(C)(C)C(=O)NCC1CCCC1 ZINC000348122275 368907196 /nfs/dbraw/zinc/90/71/96/368907196.db2.gz DAJNNEXWZLRNMK-HNNXBMFYSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)C(=O)NCC1CCCC1 ZINC000348122275 368907200 /nfs/dbraw/zinc/90/72/00/368907200.db2.gz DAJNNEXWZLRNMK-HNNXBMFYSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000348273640 368980434 /nfs/dbraw/zinc/98/04/34/368980434.db2.gz KKAHZTUXQPPSPT-ZJPYXAASSA-N 2 1 288.435 2.052 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000348350171 369012417 /nfs/dbraw/zinc/01/24/17/369012417.db2.gz XJGHZLOZDAGUGP-VYDXJSESSA-N 2 1 275.440 2.362 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000348350171 369012418 /nfs/dbraw/zinc/01/24/18/369012418.db2.gz XJGHZLOZDAGUGP-VYDXJSESSA-N 2 1 275.440 2.362 20 0 CEADMP CC1(C)CN(CC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000634992497 369020807 /nfs/dbraw/zinc/02/08/07/369020807.db2.gz RDBKJBBTYAUIFV-UHFFFAOYSA-N 2 1 299.462 2.335 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634995996 369025628 /nfs/dbraw/zinc/02/56/28/369025628.db2.gz WARQDPFTXOFPAN-DYVFJYSZSA-N 2 1 296.418 2.418 20 0 CEADMP CC(C)[C@@H](C[NH3+])C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000634997251 369027086 /nfs/dbraw/zinc/02/70/86/369027086.db2.gz HFZNUKFWJANBLG-LBPRGKRZSA-N 2 1 264.417 2.025 20 0 CEADMP OC[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000634997420 369027619 /nfs/dbraw/zinc/02/76/19/369027619.db2.gz KWBWAUDUCGSYFW-ZDUSSCGKSA-N 2 1 288.313 2.080 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CNc2ccccc21 ZINC000635003944 369040065 /nfs/dbraw/zinc/04/00/65/369040065.db2.gz BZBHPLROQCKWGO-WWGRRREGSA-N 2 1 259.397 2.173 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1c[nH+]ccc1N ZINC000635012688 369051888 /nfs/dbraw/zinc/05/18/88/369051888.db2.gz NNTZJXIZQDLVCM-GFCCVEGCSA-N 2 1 283.375 2.418 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000348680007 369119915 /nfs/dbraw/zinc/11/99/15/369119915.db2.gz IYLHRWYEMBEYFK-LJIZCISZSA-N 2 1 268.445 2.103 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000348765608 369147726 /nfs/dbraw/zinc/14/77/26/369147726.db2.gz RPWYTTHLBFIRNF-DOMZBBRYSA-N 2 1 271.364 2.346 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000348753221 369142732 /nfs/dbraw/zinc/14/27/32/369142732.db2.gz WKEYCMHARZZKPK-AWEZNQCLSA-N 2 1 250.361 2.300 20 0 CEADMP C[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635559387 369218700 /nfs/dbraw/zinc/21/87/00/369218700.db2.gz QUSHGEXZXSKBET-UHFFFAOYSA-N 2 1 297.487 2.155 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCC[NH+](CC)CC ZINC000349058467 369230987 /nfs/dbraw/zinc/23/09/87/369230987.db2.gz QHTUMYMENMKSOY-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000349097678 369243005 /nfs/dbraw/zinc/24/30/05/369243005.db2.gz KURAOFWPCCFEGT-HNNXBMFYSA-N 2 1 283.460 2.096 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1nccnc1C ZINC000187957209 369261397 /nfs/dbraw/zinc/26/13/97/369261397.db2.gz WQSFQFKYBIRFIY-YPMHNXCESA-N 2 1 273.384 2.277 20 0 CEADMP CCCN(CCC[NH+](C)C)Cc1ncc(C[NH+](C)C)s1 ZINC000349356058 369308518 /nfs/dbraw/zinc/30/85/18/369308518.db2.gz VJIVMXLFJJUORE-UHFFFAOYSA-N 2 1 298.500 2.368 20 0 CEADMP C[N@@H+](CC(=O)NCC(C)(C)C[NH+]1CCCC1)CC(C)(C)C ZINC000635849163 369375513 /nfs/dbraw/zinc/37/55/13/369375513.db2.gz KOBBHGIIRQGBKN-UHFFFAOYSA-N 2 1 297.487 2.203 20 0 CEADMP Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000358226224 370959807 /nfs/dbraw/zinc/95/98/07/370959807.db2.gz CVAXVVYFZBIRLC-DOTOQJQBSA-N 2 1 276.424 2.329 20 0 CEADMP Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC000358226224 370959810 /nfs/dbraw/zinc/95/98/10/370959810.db2.gz CVAXVVYFZBIRLC-DOTOQJQBSA-N 2 1 276.424 2.329 20 0 CEADMP Cc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2C)ccc1C[NH+](C)C ZINC000636021588 369465422 /nfs/dbraw/zinc/46/54/22/369465422.db2.gz PZIIYHRBWVYOPU-INIZCTEOSA-N 2 1 289.423 2.479 20 0 CEADMP CCN1CCC([N@H+](C)Cc2cnc3n[nH]c(C)c3c2)CC1 ZINC000350015455 369483969 /nfs/dbraw/zinc/48/39/69/369483969.db2.gz YRMFPTYJRNKIPK-UHFFFAOYSA-N 2 1 287.411 2.182 20 0 CEADMP CCN1CCC([N@@H+](C)Cc2cnc3n[nH]c(C)c3c2)CC1 ZINC000350015455 369483974 /nfs/dbraw/zinc/48/39/74/369483974.db2.gz YRMFPTYJRNKIPK-UHFFFAOYSA-N 2 1 287.411 2.182 20 0 CEADMP CCN(CCC[NH+](C)C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000276132921 193221671 /nfs/dbraw/zinc/22/16/71/193221671.db2.gz ACPSSINTFMTTKP-MRXNPFEDSA-N 2 1 291.439 2.090 20 0 CEADMP c1nc(C2CC2)ncc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358250670 370972571 /nfs/dbraw/zinc/97/25/71/370972571.db2.gz LBHRFLHVBBMDRK-JKSUJKDBSA-N 2 1 286.423 2.113 20 0 CEADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358253169 370974709 /nfs/dbraw/zinc/97/47/09/370974709.db2.gz NPHKFXGSFOATRU-ILXRZTDVSA-N 2 1 254.418 2.002 20 0 CEADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358253169 370974712 /nfs/dbraw/zinc/97/47/12/370974712.db2.gz NPHKFXGSFOATRU-ILXRZTDVSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000358229274 370962005 /nfs/dbraw/zinc/96/20/05/370962005.db2.gz GGZIWBPDTSHVJB-DAWZGUTISA-N 2 1 288.435 2.369 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000358229274 370962007 /nfs/dbraw/zinc/96/20/07/370962007.db2.gz GGZIWBPDTSHVJB-DAWZGUTISA-N 2 1 288.435 2.369 20 0 CEADMP Cc1cccn2cc(Cc3noc([C@@H]4CC[N@H+](C)C4)n3)nc12 ZINC000350036059 369488516 /nfs/dbraw/zinc/48/85/16/369488516.db2.gz SHNGHDVHUPJGKG-GFCCVEGCSA-N 2 1 297.362 2.036 20 0 CEADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358259407 370978854 /nfs/dbraw/zinc/97/88/54/370978854.db2.gz WWVANHKDENTBIH-IAGOWNOFSA-N 2 1 276.424 2.054 20 0 CEADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358259407 370978859 /nfs/dbraw/zinc/97/88/59/370978859.db2.gz WWVANHKDENTBIH-IAGOWNOFSA-N 2 1 276.424 2.054 20 0 CEADMP CO[C@@](C)(C[N@H+]1CCC[C@H]([NH+](C)C)CC1)C1CC1 ZINC000639104598 370981855 /nfs/dbraw/zinc/98/18/55/370981855.db2.gz POYVPAZWZAOILU-GJZGRUSLSA-N 2 1 254.418 2.218 20 0 CEADMP COc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(Cl)cc1O ZINC000639113249 370990273 /nfs/dbraw/zinc/99/02/73/370990273.db2.gz LYPLNRQYKHCQOK-TXEJJXNPSA-N 2 1 296.798 2.048 20 0 CEADMP C[NH+](C)CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000276276320 193267054 /nfs/dbraw/zinc/26/70/54/193267054.db2.gz DLDDBGBSGFGSKR-FGTMMUONSA-N 2 1 287.451 2.048 20 0 CEADMP CN(C)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000276276320 193267056 /nfs/dbraw/zinc/26/70/56/193267056.db2.gz DLDDBGBSGFGSKR-FGTMMUONSA-N 2 1 287.451 2.048 20 0 CEADMP CN(C)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000276276320 193267057 /nfs/dbraw/zinc/26/70/57/193267057.db2.gz DLDDBGBSGFGSKR-FGTMMUONSA-N 2 1 287.451 2.048 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(F)cn1 ZINC000276318403 193285203 /nfs/dbraw/zinc/28/52/03/193285203.db2.gz ZPSYAFHXQJQNPQ-UHFFFAOYSA-N 2 1 262.332 2.248 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(F)cn1 ZINC000276318403 193285204 /nfs/dbraw/zinc/28/52/04/193285204.db2.gz ZPSYAFHXQJQNPQ-UHFFFAOYSA-N 2 1 262.332 2.248 20 0 CEADMP CN(CCC[NH+]1CCCC1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000351525927 369640003 /nfs/dbraw/zinc/64/00/03/369640003.db2.gz VCOCDERBGHZIOA-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC000352015898 369659360 /nfs/dbraw/zinc/65/93/60/369659360.db2.gz SXCKGUBTXJZUBW-KBPBESRZSA-N 2 1 260.397 2.167 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000352411277 369718634 /nfs/dbraw/zinc/71/86/34/369718634.db2.gz VPQOHXURDRWHDH-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1cnn([C@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000352414013 369719373 /nfs/dbraw/zinc/71/93/73/369719373.db2.gz DAVKKAFPPMRMOJ-CVEARBPZSA-N 2 1 276.428 2.313 20 0 CEADMP Cc1cnn([C@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)c1 ZINC000352414013 369719378 /nfs/dbraw/zinc/71/93/78/369719378.db2.gz DAVKKAFPPMRMOJ-CVEARBPZSA-N 2 1 276.428 2.313 20 0 CEADMP Cc1cnn([C@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)c1 ZINC000352414013 369719383 /nfs/dbraw/zinc/71/93/83/369719383.db2.gz DAVKKAFPPMRMOJ-CVEARBPZSA-N 2 1 276.428 2.313 20 0 CEADMP Cc1cc(NCC[N@H+]2CCOC[C@@H]2C)c2ccccc2[nH+]1 ZINC000352636516 369814378 /nfs/dbraw/zinc/81/43/78/369814378.db2.gz HHLJRECYBQVKLY-AWEZNQCLSA-N 2 1 285.391 2.098 20 0 CEADMP Cc1cc(NCC[N@@H+]2CCOC[C@@H]2C)c2ccccc2[nH+]1 ZINC000352636516 369814383 /nfs/dbraw/zinc/81/43/83/369814383.db2.gz HHLJRECYBQVKLY-AWEZNQCLSA-N 2 1 285.391 2.098 20 0 CEADMP CC(C)[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)(C)O ZINC000352708140 369847933 /nfs/dbraw/zinc/84/79/33/369847933.db2.gz VPOMMDZDKOENSY-CYBMUJFWSA-N 2 1 285.457 2.090 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(C)C ZINC000352737001 369860712 /nfs/dbraw/zinc/86/07/12/369860712.db2.gz IKIVUQMWQJCDIE-DDTOSNHZSA-N 2 1 297.468 2.354 20 0 CEADMP C[C@@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)C[N@H+]1C1CC1 ZINC000352748178 369866821 /nfs/dbraw/zinc/86/68/21/369866821.db2.gz JCIDKAZXNSQXIL-HIFRSBDPSA-N 2 1 277.456 2.218 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)s1 ZINC000352755588 369868525 /nfs/dbraw/zinc/86/85/25/369868525.db2.gz MPOLYYFWMHJFCU-BFHYXJOUSA-N 2 1 295.452 2.252 20 0 CEADMP CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352750707 369868563 /nfs/dbraw/zinc/86/85/63/369868563.db2.gz RFOCQQGVCIVCIG-NEPJUHHUSA-N 2 1 285.457 2.091 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC[C@@H]1CCC[N@H+]1C ZINC000352789605 369878749 /nfs/dbraw/zinc/87/87/49/369878749.db2.gz CIHLRRMXCZQXDV-OWCLPIDISA-N 2 1 265.445 2.029 20 0 CEADMP COc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1Cl ZINC000193613859 369962653 /nfs/dbraw/zinc/96/26/53/369962653.db2.gz RBFYEPMIDBLYAW-BETUJISGSA-N 2 1 280.799 2.342 20 0 CEADMP OCCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000194223567 370016848 /nfs/dbraw/zinc/01/68/48/370016848.db2.gz IUVLNAOJOQAOKE-UHFFFAOYSA-N 2 1 294.414 2.195 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000353156506 370044438 /nfs/dbraw/zinc/04/44/38/370044438.db2.gz YUFJOWKOACQIIW-OAHLLOKOSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000195148428 370109353 /nfs/dbraw/zinc/10/93/53/370109353.db2.gz HILSVUPGQUAHPV-KBPBESRZSA-N 2 1 289.423 2.024 20 0 CEADMP COc1cc(C)[nH+]c(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000214046269 370169920 /nfs/dbraw/zinc/16/99/20/370169920.db2.gz WGUZQEBUTLOWAO-NNQSOWQGSA-N 2 1 275.396 2.113 20 0 CEADMP COc1cc(C)nc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000214140607 370171902 /nfs/dbraw/zinc/17/19/02/370171902.db2.gz PVUJWNGRZCIXJT-CQSZACIVSA-N 2 1 263.385 2.102 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000214140607 370171908 /nfs/dbraw/zinc/17/19/08/370171908.db2.gz PVUJWNGRZCIXJT-CQSZACIVSA-N 2 1 263.385 2.102 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCCC[C@@H]2CC[NH3+])c1 ZINC000214140607 370171912 /nfs/dbraw/zinc/17/19/12/370171912.db2.gz PVUJWNGRZCIXJT-CQSZACIVSA-N 2 1 263.385 2.102 20 0 CEADMP CC(C)n1nccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000353928017 370140162 /nfs/dbraw/zinc/14/01/62/370140162.db2.gz KZLGNSHQNSEUSZ-UHFFFAOYSA-N 2 1 264.417 2.430 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000336499228 213374118 /nfs/dbraw/zinc/37/41/18/213374118.db2.gz YDQIUGNPUXCJDN-GFCCVEGCSA-N 2 1 253.415 2.368 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000336499228 213374119 /nfs/dbraw/zinc/37/41/19/213374119.db2.gz YDQIUGNPUXCJDN-GFCCVEGCSA-N 2 1 253.415 2.368 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(OC)CC1 ZINC000353987558 370164929 /nfs/dbraw/zinc/16/49/29/370164929.db2.gz PNRSLBMMSNOVFJ-SLTAFYQDSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(OC)CC1 ZINC000353987558 370164939 /nfs/dbraw/zinc/16/49/39/370164939.db2.gz PNRSLBMMSNOVFJ-SLTAFYQDSA-N 2 1 254.418 2.408 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC000354105617 370219314 /nfs/dbraw/zinc/21/93/14/370219314.db2.gz COOJFDSZWAJGNQ-OAHLLOKOSA-N 2 1 295.427 2.224 20 0 CEADMP C[N@@H+](CCC[C@H]1CCO1)CC[C@H]1CCCC[NH+]1C ZINC000638118829 370316988 /nfs/dbraw/zinc/31/69/88/370316988.db2.gz YKUMPPUMQKGLGU-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP C[NH+](CCC[C@H]1CCO1)CC[C@H]1CCCC[N@@H+]1C ZINC000638118829 370316989 /nfs/dbraw/zinc/31/69/89/370316989.db2.gz YKUMPPUMQKGLGU-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP C[NH+](CCC[C@H]1CCO1)CC[C@H]1CCCC[N@H+]1C ZINC000638118829 370316994 /nfs/dbraw/zinc/31/69/94/370316994.db2.gz YKUMPPUMQKGLGU-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CCC(C)C)C[C@@H]1C ZINC000638121583 370318986 /nfs/dbraw/zinc/31/89/86/370318986.db2.gz GXQHSHULGCWFPX-SOUVJXGZSA-N 2 1 283.460 2.081 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2cccc(CO)c2)CC1 ZINC000223245492 370262656 /nfs/dbraw/zinc/26/26/56/370262656.db2.gz BZRCQOZZEKIWOK-UHFFFAOYSA-N 2 1 262.397 2.143 20 0 CEADMP O=c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c[nH]1 ZINC000638178803 370360259 /nfs/dbraw/zinc/36/02/59/370360259.db2.gz GXPPZXRGDBLDMK-HOCLYGCPSA-N 2 1 287.407 2.236 20 0 CEADMP O=c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c[nH]1 ZINC000638178803 370360260 /nfs/dbraw/zinc/36/02/60/370360260.db2.gz GXPPZXRGDBLDMK-HOCLYGCPSA-N 2 1 287.407 2.236 20 0 CEADMP O=c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c[nH]1 ZINC000638178803 370360261 /nfs/dbraw/zinc/36/02/61/370360261.db2.gz GXPPZXRGDBLDMK-HOCLYGCPSA-N 2 1 287.407 2.236 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@](C)(CC)OC)C1 ZINC000638128911 370324326 /nfs/dbraw/zinc/32/43/26/370324326.db2.gz ZKHSFUIALUKPGI-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@](C)(CC)OC)C1 ZINC000638128911 370324331 /nfs/dbraw/zinc/32/43/31/370324331.db2.gz ZKHSFUIALUKPGI-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@](C)(CC)OC)C1 ZINC000638128911 370324335 /nfs/dbraw/zinc/32/43/35/370324335.db2.gz ZKHSFUIALUKPGI-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP CC[NH2+][C@@H](C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000638130709 370326131 /nfs/dbraw/zinc/32/61/31/370326131.db2.gz HUGDNFZECPCQED-GJZGRUSLSA-N 2 1 291.439 2.011 20 0 CEADMP CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCC[NH2+]C1 ZINC000226434965 370342083 /nfs/dbraw/zinc/34/20/83/370342083.db2.gz FUSYMTZMIDEUGC-CQSZACIVSA-N 2 1 276.380 2.237 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccncc3Cl)C[C@H]21 ZINC000228470783 370403903 /nfs/dbraw/zinc/40/39/03/370403903.db2.gz GHFTYHULTRYZST-ZKYQVNSYSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccncc3Cl)C[C@H]21 ZINC000228470783 370403906 /nfs/dbraw/zinc/40/39/06/370403906.db2.gz GHFTYHULTRYZST-ZKYQVNSYSA-N 2 1 265.788 2.294 20 0 CEADMP CN(CC[N@@H+](C)C1CC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000354630963 370441901 /nfs/dbraw/zinc/44/19/01/370441901.db2.gz LLYUFAOXJJKXJS-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000638361949 370471072 /nfs/dbraw/zinc/47/10/72/370471072.db2.gz VYZFYVNGZKLAJI-UGUYLWEFSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000638361949 370471073 /nfs/dbraw/zinc/47/10/73/370471073.db2.gz VYZFYVNGZKLAJI-UGUYLWEFSA-N 2 1 295.471 2.286 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccnc(OC)c2)C1 ZINC000638408747 370507716 /nfs/dbraw/zinc/50/77/16/370507716.db2.gz CXPUGLQSHBKEPM-HOCLYGCPSA-N 2 1 291.439 2.343 20 0 CEADMP CC(C)n1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000232774182 370511702 /nfs/dbraw/zinc/51/17/02/370511702.db2.gz SEGDTRGUWDMGPW-CQSZACIVSA-N 2 1 250.390 2.167 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000232774182 370511708 /nfs/dbraw/zinc/51/17/08/370511708.db2.gz SEGDTRGUWDMGPW-CQSZACIVSA-N 2 1 250.390 2.167 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@H+]1CC(C)C ZINC000355144340 370521292 /nfs/dbraw/zinc/52/12/92/370521292.db2.gz SVRLZIFYYBJKQB-JKSUJKDBSA-N 2 1 297.487 2.390 20 0 CEADMP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]CCC[C@@H]1CCO1 ZINC000638578810 370618049 /nfs/dbraw/zinc/61/80/49/370618049.db2.gz JHFLVACVTVKTHU-RBSFLKMASA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)C[C@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000355911813 370618513 /nfs/dbraw/zinc/61/85/13/370618513.db2.gz YPVDBPWGIFIMIJ-AWEZNQCLSA-N 2 1 256.434 2.200 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638589115 370622302 /nfs/dbraw/zinc/62/23/02/370622302.db2.gz RORGWMLANBTINK-IAGOWNOFSA-N 2 1 287.451 2.444 20 0 CEADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CCC[C@@H]1CCO1 ZINC000638589046 370622896 /nfs/dbraw/zinc/62/28/96/370622896.db2.gz PUDCMFRFNPWAPL-LSDHHAIUSA-N 2 1 254.418 2.410 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]CCC[C@@H]1CCO1 ZINC000638589046 370622903 /nfs/dbraw/zinc/62/29/03/370622903.db2.gz PUDCMFRFNPWAPL-LSDHHAIUSA-N 2 1 254.418 2.410 20 0 CEADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CCC[C@H]1CCO1 ZINC000638589044 370622917 /nfs/dbraw/zinc/62/29/17/370622917.db2.gz PUDCMFRFNPWAPL-GJZGRUSLSA-N 2 1 254.418 2.410 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]CCC[C@H]1CCO1 ZINC000638589044 370622921 /nfs/dbraw/zinc/62/29/21/370622921.db2.gz PUDCMFRFNPWAPL-GJZGRUSLSA-N 2 1 254.418 2.410 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638596759 370627169 /nfs/dbraw/zinc/62/71/69/370627169.db2.gz POZVLGXJSJIZIY-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638596759 370627174 /nfs/dbraw/zinc/62/71/74/370627174.db2.gz POZVLGXJSJIZIY-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccc(O)c1 ZINC000638566636 370609289 /nfs/dbraw/zinc/60/92/89/370609289.db2.gz BGTKMDJIEOQIRH-CYBMUJFWSA-N 2 1 292.423 2.278 20 0 CEADMP C[NH+](C)CCC[N@H+](C)Cc1ccc2nccnc2c1 ZINC000639167697 371040907 /nfs/dbraw/zinc/04/09/07/371040907.db2.gz JPWXHFZJGOJNQC-UHFFFAOYSA-N 2 1 258.369 2.013 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000639167697 371040912 /nfs/dbraw/zinc/04/09/12/371040912.db2.gz JPWXHFZJGOJNQC-UHFFFAOYSA-N 2 1 258.369 2.013 20 0 CEADMP CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000247056747 371055428 /nfs/dbraw/zinc/05/54/28/371055428.db2.gz JWALARCQBUYMKY-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000247056747 371055435 /nfs/dbraw/zinc/05/54/35/371055435.db2.gz JWALARCQBUYMKY-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(F)c2N)C1 ZINC000639177735 371055520 /nfs/dbraw/zinc/05/55/20/371055520.db2.gz FNZMGQWYKKVOJO-IUODEOHRSA-N 2 1 277.387 2.324 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)sn1 ZINC000639178118 371058692 /nfs/dbraw/zinc/05/86/92/371058692.db2.gz ZCTMGYBUYMMBBC-CYBMUJFWSA-N 2 1 295.452 2.315 20 0 CEADMP CC[C@](C)(C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21)OC ZINC000639180494 371059555 /nfs/dbraw/zinc/05/95/55/371059555.db2.gz XGSNZGZIKJUXBK-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CC[C@](C)(C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)OC ZINC000639180494 371059557 /nfs/dbraw/zinc/05/95/57/371059557.db2.gz XGSNZGZIKJUXBK-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CC[C@](C)(C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)OC ZINC000639180494 371059560 /nfs/dbraw/zinc/05/95/60/371059560.db2.gz XGSNZGZIKJUXBK-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP Fc1ccc(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358503845 371094396 /nfs/dbraw/zinc/09/43/96/371094396.db2.gz HAFVUZPAQNIQPT-UHFFFAOYSA-N 2 1 278.371 2.280 20 0 CEADMP C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358507020 371096177 /nfs/dbraw/zinc/09/61/77/371096177.db2.gz MNYMMADFNNDGEI-NSHDSACASA-N 2 1 276.384 2.084 20 0 CEADMP Cc1cccc(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358507093 371096205 /nfs/dbraw/zinc/09/62/05/371096205.db2.gz NAPWGAXBOVLRMN-UHFFFAOYSA-N 2 1 274.408 2.449 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](COC)C2CC2)[C@H](C)C1 ZINC000247986905 371153604 /nfs/dbraw/zinc/15/36/04/371153604.db2.gz IWVJMEWTAVLSQX-HYVNUMGLSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H](O)C(F)F)CC2)C1 ZINC000358657187 371158623 /nfs/dbraw/zinc/15/86/23/371158623.db2.gz ZCRRWTKAMAOWJP-KWCYVHTRSA-N 2 1 290.398 2.245 20 0 CEADMP CCOC1CC(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000639259336 371159372 /nfs/dbraw/zinc/15/93/72/371159372.db2.gz PBHUUMQYNQTMEI-NFOMZHRRSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[C@H](C(=O)N(C)CC[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000358694296 371178080 /nfs/dbraw/zinc/17/80/80/371178080.db2.gz RHHCZYNVIFIPCI-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358747494 371202826 /nfs/dbraw/zinc/20/28/26/371202826.db2.gz HPXAOVVPMYLBIK-DOMZBBRYSA-N 2 1 287.411 2.228 20 0 CEADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000358762600 371209035 /nfs/dbraw/zinc/20/90/35/371209035.db2.gz YOWVSKIYUQBYIE-HUBLWGQQSA-N 2 1 284.831 2.344 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C[C@H]1C ZINC000248654682 371231504 /nfs/dbraw/zinc/23/15/04/371231504.db2.gz VIKJJXKXBWDEGU-ZACQAIPSSA-N 2 1 281.488 2.428 20 0 CEADMP O[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639335861 371246338 /nfs/dbraw/zinc/24/63/38/371246338.db2.gz YJUPAHYVZOCZOE-UOVPBQLFSA-N 2 1 286.419 2.467 20 0 CEADMP O[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639335861 371246344 /nfs/dbraw/zinc/24/63/44/371246344.db2.gz YJUPAHYVZOCZOE-UOVPBQLFSA-N 2 1 286.419 2.467 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000248825033 371249688 /nfs/dbraw/zinc/24/96/88/371249688.db2.gz COVXWXBUQVNLDR-FZKCQIBNSA-N 2 1 268.445 2.369 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000249811508 371364304 /nfs/dbraw/zinc/36/43/04/371364304.db2.gz CIBXIVYLIVHASX-JKSUJKDBSA-N 2 1 297.487 2.474 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000249811508 371364313 /nfs/dbraw/zinc/36/43/13/371364313.db2.gz CIBXIVYLIVHASX-JKSUJKDBSA-N 2 1 297.487 2.474 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639473510 371347165 /nfs/dbraw/zinc/34/71/65/371347165.db2.gz KMTLMWFNYRAWOK-UHFFFAOYSA-N 2 1 277.412 2.339 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2cnccn2)CC1 ZINC000639474825 371349253 /nfs/dbraw/zinc/34/92/53/371349253.db2.gz VZIWVSUCHVESCU-UHFFFAOYSA-N 2 1 276.428 2.071 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CC[C@H]1[NH3+] ZINC000251597578 371407297 /nfs/dbraw/zinc/40/72/97/371407297.db2.gz CZFQATUTYZXDHS-SWLSCSKDSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H]1C[N@@H+](CCSc2ccccc2)CC[C@H]1[NH3+] ZINC000251699133 371412491 /nfs/dbraw/zinc/41/24/91/371412491.db2.gz ITZWWKWPJHBLOC-GXTWGEPZSA-N 2 1 250.411 2.448 20 0 CEADMP Cc1csc([C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)n1 ZINC000359192636 371369420 /nfs/dbraw/zinc/36/94/20/371369420.db2.gz QBNKSJKIHGTKOM-CQSZACIVSA-N 2 1 295.452 2.215 20 0 CEADMP Cc1csc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)n1 ZINC000359192636 371369426 /nfs/dbraw/zinc/36/94/26/371369426.db2.gz QBNKSJKIHGTKOM-CQSZACIVSA-N 2 1 295.452 2.215 20 0 CEADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C[C@@H]1CCO[C@@H]1C)CC2 ZINC000639508823 371371654 /nfs/dbraw/zinc/37/16/54/371371654.db2.gz OOCZGIRFBDSALT-QXSJWSMHSA-N 2 1 266.429 2.359 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC(C)(C)CO3)CC[C@H]21 ZINC000639518306 371379554 /nfs/dbraw/zinc/37/95/54/371379554.db2.gz DUQDRYYKOLIYKB-QLFBSQMISA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](C)C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000250368910 371383530 /nfs/dbraw/zinc/38/35/30/371383530.db2.gz ZWYMGYWVJNRUGG-CABCVRRESA-N 2 1 265.445 2.077 20 0 CEADMP CC(C)n1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000252859696 371484385 /nfs/dbraw/zinc/48/43/85/371484385.db2.gz MOAXOICTPNSORK-AEGPPILISA-N 2 1 262.401 2.023 20 0 CEADMP CC(C)n1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000252859696 371484394 /nfs/dbraw/zinc/48/43/94/371484394.db2.gz MOAXOICTPNSORK-AEGPPILISA-N 2 1 262.401 2.023 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC3(CCC3)C2)CC[N@@H+]1C ZINC000252115070 371431673 /nfs/dbraw/zinc/43/16/73/371431673.db2.gz KCCQADFCCUFQAM-RDBSUJKOSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC3(CCC3)C2)CC[N@H+]1C ZINC000252115070 371431677 /nfs/dbraw/zinc/43/16/77/371431677.db2.gz KCCQADFCCUFQAM-RDBSUJKOSA-N 2 1 252.402 2.160 20 0 CEADMP CO[C@@H](C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000639682826 371491309 /nfs/dbraw/zinc/49/13/09/371491309.db2.gz AKJWOSADBMVAMY-INIZCTEOSA-N 2 1 275.396 2.019 20 0 CEADMP CO[C@H]1CC[N@H+](Cc2c(C)cccc2C)[C@H](C[NH3+])C1 ZINC000252769523 371477564 /nfs/dbraw/zinc/47/75/64/371477564.db2.gz JXZPFSOSXDNLGS-GJZGRUSLSA-N 2 1 262.397 2.242 20 0 CEADMP CO[C@H]1CC[N@@H+](Cc2c(C)cccc2C)[C@H](C[NH3+])C1 ZINC000252769523 371477568 /nfs/dbraw/zinc/47/75/68/371477568.db2.gz JXZPFSOSXDNLGS-GJZGRUSLSA-N 2 1 262.397 2.242 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C)[C@@H](C(C)(C)C)C1 ZINC000639747186 371538936 /nfs/dbraw/zinc/53/89/36/371538936.db2.gz QYQRKNVJKOTGNV-HUUCEWRRSA-N 2 1 267.461 2.133 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000639747186 371538941 /nfs/dbraw/zinc/53/89/41/371538941.db2.gz QYQRKNVJKOTGNV-HUUCEWRRSA-N 2 1 267.461 2.133 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000639747186 371538945 /nfs/dbraw/zinc/53/89/45/371538945.db2.gz QYQRKNVJKOTGNV-HUUCEWRRSA-N 2 1 267.461 2.133 20 0 CEADMP CN(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cn1 ZINC000639756600 371546324 /nfs/dbraw/zinc/54/63/24/371546324.db2.gz YFCHYGYYFZSKOJ-UHFFFAOYSA-N 2 1 288.439 2.065 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(OC)C2CC2)[C@H](C)C1 ZINC000361006018 371594230 /nfs/dbraw/zinc/59/42/30/371594230.db2.gz ZHUKGENPWTWQRL-SNPRPXQTSA-N 2 1 254.418 2.121 20 0 CEADMP CC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000683770259 541856839 /nfs/dbraw/zinc/85/68/39/541856839.db2.gz QTLCFMHYZJUDKT-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)s1 ZINC000261551001 371643010 /nfs/dbraw/zinc/64/30/10/371643010.db2.gz LSPOQFZFCJAXBW-GXTWGEPZSA-N 2 1 250.411 2.406 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261574773 371657184 /nfs/dbraw/zinc/65/71/84/371657184.db2.gz XTPJACNDNINFCF-BZUAXINKSA-N 2 1 267.461 2.229 20 0 CEADMP CC[NH+](CC)[C@@H](CNC1=[NH+]CCCN1)c1ccccc1 ZINC000261705660 371706541 /nfs/dbraw/zinc/70/65/41/371706541.db2.gz DAINTEJTNOUIED-HNNXBMFYSA-N 2 1 274.412 2.008 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](CCOCC2CC2)CC1 ZINC000640018254 371738850 /nfs/dbraw/zinc/73/88/50/371738850.db2.gz RRRWCAGHIYBSIQ-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)(C)OC[C@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981554 371709915 /nfs/dbraw/zinc/70/99/15/371709915.db2.gz LDKHKYBJJQLUDS-OAHLLOKOSA-N 2 1 298.471 2.113 20 0 CEADMP Cc1ccsc1C[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000353321946 220027831 /nfs/dbraw/zinc/02/78/31/220027831.db2.gz YHWYHNBBSCFYFW-CYBMUJFWSA-N 2 1 282.453 2.334 20 0 CEADMP Cc1ccsc1C[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000353321946 220027833 /nfs/dbraw/zinc/02/78/33/220027833.db2.gz YHWYHNBBSCFYFW-CYBMUJFWSA-N 2 1 282.453 2.334 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261802678 371735453 /nfs/dbraw/zinc/73/54/53/371735453.db2.gz YXBSTRBRQQEWEO-CABCVRRESA-N 2 1 290.407 2.148 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261802678 371735458 /nfs/dbraw/zinc/73/54/58/371735458.db2.gz YXBSTRBRQQEWEO-CABCVRRESA-N 2 1 290.407 2.148 20 0 CEADMP C[N@H+](Cc1nccn1Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000261640627 371688716 /nfs/dbraw/zinc/68/87/16/371688716.db2.gz FQCASJVFPFFSDL-UHFFFAOYSA-N 2 1 298.434 2.363 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)COC(C)C ZINC000337345401 214021038 /nfs/dbraw/zinc/02/10/38/214021038.db2.gz UYXMHXWSHGEYIE-CYBMUJFWSA-N 2 1 253.390 2.375 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCO[C@@H]2CCCCO2)C1 ZINC000361267079 371750091 /nfs/dbraw/zinc/75/00/91/371750091.db2.gz QHQMIRUXXFMOFK-HZPDHXFCSA-N 2 1 284.444 2.193 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCO[C@@H]2CCCCO2)C1 ZINC000361267079 371750101 /nfs/dbraw/zinc/75/01/01/371750101.db2.gz QHQMIRUXXFMOFK-HZPDHXFCSA-N 2 1 284.444 2.193 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCO[C@@H]2CCCCO2)C1 ZINC000361267079 371750105 /nfs/dbraw/zinc/75/01/05/371750105.db2.gz QHQMIRUXXFMOFK-HZPDHXFCSA-N 2 1 284.444 2.193 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000361299065 371769005 /nfs/dbraw/zinc/76/90/05/371769005.db2.gz GTZYFUKNLUFMGM-IRXDYDNUSA-N 2 1 282.472 2.447 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000361299065 371769011 /nfs/dbraw/zinc/76/90/11/371769011.db2.gz GTZYFUKNLUFMGM-IRXDYDNUSA-N 2 1 282.472 2.447 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000361299065 371769014 /nfs/dbraw/zinc/76/90/14/371769014.db2.gz GTZYFUKNLUFMGM-IRXDYDNUSA-N 2 1 282.472 2.447 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)CC[NH2+]C1 ZINC000261933861 371777709 /nfs/dbraw/zinc/77/77/09/371777709.db2.gz CZNLHXZFDWXTTO-WBVHZDCISA-N 2 1 284.407 2.283 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000261938114 371778064 /nfs/dbraw/zinc/77/80/64/371778064.db2.gz MKPNYEVTCKBJAG-UHFFFAOYSA-N 2 1 278.444 2.343 20 0 CEADMP CC(C)N(C)c1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000261938114 371778067 /nfs/dbraw/zinc/77/80/67/371778067.db2.gz MKPNYEVTCKBJAG-UHFFFAOYSA-N 2 1 278.444 2.343 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261943931 371779248 /nfs/dbraw/zinc/77/92/48/371779248.db2.gz NCMNDEMAPJPVAZ-GJZGRUSLSA-N 2 1 284.407 2.350 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261943931 371779253 /nfs/dbraw/zinc/77/92/53/371779253.db2.gz NCMNDEMAPJPVAZ-GJZGRUSLSA-N 2 1 284.407 2.350 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261943934 371779389 /nfs/dbraw/zinc/77/93/89/371779389.db2.gz NCMNDEMAPJPVAZ-LSDHHAIUSA-N 2 1 284.407 2.350 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261943934 371779394 /nfs/dbraw/zinc/77/93/94/371779394.db2.gz NCMNDEMAPJPVAZ-LSDHHAIUSA-N 2 1 284.407 2.350 20 0 CEADMP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cn1 ZINC000261954989 371783499 /nfs/dbraw/zinc/78/34/99/371783499.db2.gz OMYYCMRVRNMPHK-DZGCQCFKSA-N 2 1 276.428 2.095 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cn1 ZINC000261954989 371783508 /nfs/dbraw/zinc/78/35/08/371783508.db2.gz OMYYCMRVRNMPHK-DZGCQCFKSA-N 2 1 276.428 2.095 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)C2(C(=O)OC)CCC2)C1 ZINC000353338036 220032772 /nfs/dbraw/zinc/03/27/72/220032772.db2.gz REPCHSCJVRJOLX-GJZGRUSLSA-N 2 1 296.455 2.430 20 0 CEADMP Fc1cc(F)cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261988652 371789620 /nfs/dbraw/zinc/78/96/20/371789620.db2.gz SLXPYQOSWQNACT-BZUAXINKSA-N 2 1 296.361 2.212 20 0 CEADMP C[C@]1(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)CC[NH2+]C1 ZINC000262004056 371797387 /nfs/dbraw/zinc/79/73/87/371797387.db2.gz LPUYURXCLXWMOL-HOTGVXAUSA-N 2 1 266.429 2.410 20 0 CEADMP c1csc([C@H]2CSCC[N@@H+]2CC2CC[NH2+]CC2)n1 ZINC000262014888 371798912 /nfs/dbraw/zinc/79/89/12/371798912.db2.gz VNOZUBZVDAQAAX-GFCCVEGCSA-N 2 1 283.466 2.233 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccsc1 ZINC000262026739 371802957 /nfs/dbraw/zinc/80/29/57/371802957.db2.gz WRZQIBFWRLIZCJ-QWRGUYRKSA-N 2 1 276.409 2.307 20 0 CEADMP CC(C)([NH3+])C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000262034320 371806689 /nfs/dbraw/zinc/80/66/89/371806689.db2.gz XNFAFXRPPJYNPR-ZDUSSCGKSA-N 2 1 258.369 2.020 20 0 CEADMP CC(C)([NH3+])C[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000262034320 371806693 /nfs/dbraw/zinc/80/66/93/371806693.db2.gz XNFAFXRPPJYNPR-ZDUSSCGKSA-N 2 1 258.369 2.020 20 0 CEADMP c1csc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000262044523 371811615 /nfs/dbraw/zinc/81/16/15/371811615.db2.gz PNQKPBJSKBZPBE-OAHLLOKOSA-N 2 1 288.420 2.324 20 0 CEADMP c1csc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000262044523 371811622 /nfs/dbraw/zinc/81/16/22/371811622.db2.gz PNQKPBJSKBZPBE-OAHLLOKOSA-N 2 1 288.420 2.324 20 0 CEADMP CC[NH+](CC)CC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262055351 371816134 /nfs/dbraw/zinc/81/61/34/371816134.db2.gz QQADDLVAOHSLHI-INIZCTEOSA-N 2 1 267.461 2.040 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000262071043 371818424 /nfs/dbraw/zinc/81/84/24/371818424.db2.gz CHTZZWYBTSSRPV-INIZCTEOSA-N 2 1 262.397 2.353 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]21 ZINC000262090457 371822009 /nfs/dbraw/zinc/82/20/09/371822009.db2.gz HXVXIGQOYQVGQN-CGTJXYLNSA-N 2 1 296.418 2.432 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@]2(C)CC[NH2+]C2)C1(C)C ZINC000262104885 371823630 /nfs/dbraw/zinc/82/36/30/371823630.db2.gz VWHPHMALTZIYMD-NFAWXSAZSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)NC1CCCC1 ZINC000640532693 372022267 /nfs/dbraw/zinc/02/22/67/372022267.db2.gz VNBJWAOMUSQWLT-UHFFFAOYSA-N 2 1 295.471 2.243 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000361697296 372028607 /nfs/dbraw/zinc/02/86/07/372028607.db2.gz WMMJGPOLQVBKIL-INIZCTEOSA-N 2 1 289.423 2.021 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000361892003 372117384 /nfs/dbraw/zinc/11/73/84/372117384.db2.gz DMGHWQMQEUHJES-GFCCVEGCSA-N 2 1 252.406 2.202 20 0 CEADMP CC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361893876 372118878 /nfs/dbraw/zinc/11/88/78/372118878.db2.gz SCSRGNOHALVKMW-GDBMZVCRSA-N 2 1 262.397 2.012 20 0 CEADMP CC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361893876 372118882 /nfs/dbraw/zinc/11/88/82/372118882.db2.gz SCSRGNOHALVKMW-GDBMZVCRSA-N 2 1 262.397 2.012 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000344197976 217095451 /nfs/dbraw/zinc/09/54/51/217095451.db2.gz HDNFZDBAIZJYAH-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344197976 217095454 /nfs/dbraw/zinc/09/54/54/217095454.db2.gz HDNFZDBAIZJYAH-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344197976 217095457 /nfs/dbraw/zinc/09/54/57/217095457.db2.gz HDNFZDBAIZJYAH-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CO[C@@H](C)[C@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000268761711 372211715 /nfs/dbraw/zinc/21/17/15/372211715.db2.gz OIWWKFGCTHNRIF-GJZGRUSLSA-N 2 1 276.424 2.448 20 0 CEADMP CO[C@@H](C)[C@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000268761711 372211716 /nfs/dbraw/zinc/21/17/16/372211716.db2.gz OIWWKFGCTHNRIF-GJZGRUSLSA-N 2 1 276.424 2.448 20 0 CEADMP COc1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)ccn1 ZINC000362104590 372223880 /nfs/dbraw/zinc/22/38/80/372223880.db2.gz YRXPPULLQFPSDM-OWCLPIDISA-N 2 1 287.407 2.006 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)cc1 ZINC000268815856 372237613 /nfs/dbraw/zinc/23/76/13/372237613.db2.gz FYNXGJSFYKESQN-CYBMUJFWSA-N 2 1 280.387 2.323 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000268818267 372240345 /nfs/dbraw/zinc/24/03/45/372240345.db2.gz OKHSHKKAWCOSRJ-ZDUSSCGKSA-N 2 1 296.378 2.123 20 0 CEADMP C[N@@H+]1C[C@H]2CN(Cc3nc4c(s3)CCCC4)C[C@H]2C1 ZINC000683844754 541870760 /nfs/dbraw/zinc/87/07/60/541870760.db2.gz WYIZWDFCZVVAES-TXEJJXNPSA-N 2 1 277.437 2.015 20 0 CEADMP C(C[NH+]1CCCC1)C[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000362176675 372258987 /nfs/dbraw/zinc/25/89/87/372258987.db2.gz GEVOPQXSRKSEIN-GJZGRUSLSA-N 2 1 252.402 2.116 20 0 CEADMP C[C@@H]1C[N@H+](CCCCNc2ccccn2)C[C@H](C)O1 ZINC000269034706 372320158 /nfs/dbraw/zinc/32/01/58/372320158.db2.gz KDHBGRJHCFQNKJ-OKILXGFUSA-N 2 1 263.385 2.383 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000362409001 372353785 /nfs/dbraw/zinc/35/37/85/372353785.db2.gz XPQVUPOANPFLSF-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000362409001 372353792 /nfs/dbraw/zinc/35/37/92/372353792.db2.gz XPQVUPOANPFLSF-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000362409001 372353800 /nfs/dbraw/zinc/35/38/00/372353800.db2.gz XPQVUPOANPFLSF-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000362409001 372353807 /nfs/dbraw/zinc/35/38/07/372353807.db2.gz XPQVUPOANPFLSF-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000269182821 372367762 /nfs/dbraw/zinc/36/77/62/372367762.db2.gz AHWWTAYTFRJSET-GDBMZVCRSA-N 2 1 291.439 2.141 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNc1ccncc1F ZINC000641265729 372423473 /nfs/dbraw/zinc/42/34/73/372423473.db2.gz IABWFUFCHDUGAD-LBPRGKRZSA-N 2 1 251.349 2.319 20 0 CEADMP Cc1nccn1CCCC[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000362583964 372442999 /nfs/dbraw/zinc/44/29/99/372442999.db2.gz PIQCMMNZRHAUIW-ZDUSSCGKSA-N 2 1 294.443 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000362583964 372443012 /nfs/dbraw/zinc/44/30/12/372443012.db2.gz PIQCMMNZRHAUIW-ZDUSSCGKSA-N 2 1 294.443 2.207 20 0 CEADMP CCC[N@@H+](C)CC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641661736 372614863 /nfs/dbraw/zinc/61/48/63/372614863.db2.gz QOOKSMSZIVVKOQ-UHFFFAOYSA-N 2 1 283.460 2.053 20 0 CEADMP Cc1nc(C)n([C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000363459182 372637985 /nfs/dbraw/zinc/63/79/85/372637985.db2.gz IAOHAUKHQQZQPC-HZPDHXFCSA-N 2 1 291.443 2.016 20 0 CEADMP Cc1nc(C)n([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000363459182 372637991 /nfs/dbraw/zinc/63/79/91/372637991.db2.gz IAOHAUKHQQZQPC-HZPDHXFCSA-N 2 1 291.443 2.016 20 0 CEADMP Cc1nc(C)n([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000363459182 372637999 /nfs/dbraw/zinc/63/79/99/372637999.db2.gz IAOHAUKHQQZQPC-HZPDHXFCSA-N 2 1 291.443 2.016 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]Cc2cc[nH]c2)[C@H](c2ccccc2)C1 ZINC000364077300 372661385 /nfs/dbraw/zinc/66/13/85/372661385.db2.gz PVMUFXBQWHRGNS-SFHVURJKSA-N 2 1 298.434 2.093 20 0 CEADMP C[C@@H]1[C@@H](NCc2ccncc2N)CC[N@@H+]1Cc1ccccc1 ZINC000641754796 372690029 /nfs/dbraw/zinc/69/00/29/372690029.db2.gz TYKGRLBMZCSXGL-KDOFPFPSSA-N 2 1 296.418 2.416 20 0 CEADMP C[C@@H]1[C@@H](NCc2ccncc2N)CC[N@H+]1Cc1ccccc1 ZINC000641754796 372690037 /nfs/dbraw/zinc/69/00/37/372690037.db2.gz TYKGRLBMZCSXGL-KDOFPFPSSA-N 2 1 296.418 2.416 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cccc2cc[nH]c21 ZINC000641772892 372715343 /nfs/dbraw/zinc/71/53/43/372715343.db2.gz UZBFOHQNBSLRAF-INIZCTEOSA-N 2 1 289.423 2.350 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cccc2[nH]ccc21 ZINC000641771938 372716059 /nfs/dbraw/zinc/71/60/59/372716059.db2.gz MZXXDMKCHOCXSJ-OAHLLOKOSA-N 2 1 289.423 2.350 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c1C ZINC000641802267 372745722 /nfs/dbraw/zinc/74/57/22/372745722.db2.gz IPADDIJFBPLLFF-QEJZJMRPSA-N 2 1 289.423 2.346 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H](C)C(C)(C)n1cncn1)[NH+]1CCCC1 ZINC000353410343 220066750 /nfs/dbraw/zinc/06/67/50/220066750.db2.gz HKIXISAOEAIRMI-GJZGRUSLSA-N 2 1 293.459 2.112 20 0 CEADMP CC1(C)[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)C[C@@H]1[NH3+] ZINC000641803095 372748302 /nfs/dbraw/zinc/74/83/02/372748302.db2.gz DPJNQFMMWNYFQB-LSDHHAIUSA-N 2 1 270.380 2.088 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)NCCCC1CCCCC1 ZINC000641804764 372750713 /nfs/dbraw/zinc/75/07/13/372750713.db2.gz LIJVWTYCEVTEHD-CABCVRRESA-N 2 1 295.471 2.179 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C[C@H]1C[NH3+] ZINC000641818044 372764173 /nfs/dbraw/zinc/76/41/73/372764173.db2.gz CEWVLRWYLLQUJM-MCIONIFRSA-N 2 1 252.402 2.005 20 0 CEADMP CCN(C)C(=O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000364346939 372734713 /nfs/dbraw/zinc/73/47/13/372734713.db2.gz KPUIQAHXVIRAEL-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)CC[C@H]1[NH3+] ZINC000641797185 372735303 /nfs/dbraw/zinc/73/53/03/372735303.db2.gz XCBWZMWERAPREL-MWLCHTKSSA-N 2 1 284.306 2.177 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)CC[C@H]1[NH3+] ZINC000641797185 372735314 /nfs/dbraw/zinc/73/53/14/372735314.db2.gz XCBWZMWERAPREL-MWLCHTKSSA-N 2 1 284.306 2.177 20 0 CEADMP COc1ccc([C@H](CO)[N@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000270438662 372791516 /nfs/dbraw/zinc/79/15/16/372791516.db2.gz KOKQQXRCUFGKLX-WBVHZDCISA-N 2 1 292.423 2.145 20 0 CEADMP COc1ccc([C@H](CO)[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000270438662 372791521 /nfs/dbraw/zinc/79/15/21/372791521.db2.gz KOKQQXRCUFGKLX-WBVHZDCISA-N 2 1 292.423 2.145 20 0 CEADMP COc1ccc([C@H](CO)[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000270438662 372791531 /nfs/dbraw/zinc/79/15/31/372791531.db2.gz KOKQQXRCUFGKLX-WBVHZDCISA-N 2 1 292.423 2.145 20 0 CEADMP COc1ccc([C@H](CO)[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000270438662 372791540 /nfs/dbraw/zinc/79/15/40/372791540.db2.gz KOKQQXRCUFGKLX-WBVHZDCISA-N 2 1 292.423 2.145 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000353442584 220084526 /nfs/dbraw/zinc/08/45/26/220084526.db2.gz SHRUFBYBZZUOAK-UONOGXRCSA-N 2 1 283.460 2.131 20 0 CEADMP C[N@@H+](Cc1cccs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365273521 372816690 /nfs/dbraw/zinc/81/66/90/372816690.db2.gz KNFOWECFVPPZFE-OAHLLOKOSA-N 2 1 293.480 2.348 20 0 CEADMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cn1 ZINC000353455170 220092985 /nfs/dbraw/zinc/09/29/85/220092985.db2.gz PLUZOWGEOKSXFY-OAGGEKHMSA-N 2 1 288.439 2.110 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1)C(C)C ZINC000365400796 372848578 /nfs/dbraw/zinc/84/85/78/372848578.db2.gz BCDJARFAOXRLKC-HOTGVXAUSA-N 2 1 297.487 2.436 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1)C(C)C ZINC000365400796 372848586 /nfs/dbraw/zinc/84/85/86/372848586.db2.gz BCDJARFAOXRLKC-HOTGVXAUSA-N 2 1 297.487 2.436 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1)C(C)C ZINC000365400795 372848916 /nfs/dbraw/zinc/84/89/16/372848916.db2.gz BCDJARFAOXRLKC-CVEARBPZSA-N 2 1 297.487 2.436 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1)C(C)C ZINC000365400795 372848920 /nfs/dbraw/zinc/84/89/20/372848920.db2.gz BCDJARFAOXRLKC-CVEARBPZSA-N 2 1 297.487 2.436 20 0 CEADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cn1 ZINC000353444989 220087885 /nfs/dbraw/zinc/08/78/85/220087885.db2.gz VXAPBAIJRVIOJW-XHSDSOJGSA-N 2 1 259.397 2.352 20 0 CEADMP Cc1nccn1C[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000270599642 372863263 /nfs/dbraw/zinc/86/32/63/372863263.db2.gz GPXQSSOPZGJBAC-MRXNPFEDSA-N 2 1 287.411 2.251 20 0 CEADMP Cc1nccn1C[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000270599642 372863267 /nfs/dbraw/zinc/86/32/67/372863267.db2.gz GPXQSSOPZGJBAC-MRXNPFEDSA-N 2 1 287.411 2.251 20 0 CEADMP COc1cccc2c(N(C)[C@@H]3CC[NH2+]C3)cc(C)[nH+]c12 ZINC000643006999 372911190 /nfs/dbraw/zinc/91/11/90/372911190.db2.gz JGSGCSKGCJBHKX-GFCCVEGCSA-N 2 1 271.364 2.350 20 0 CEADMP C[C@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)C[N@H+]1C1CC1 ZINC000366285934 373023257 /nfs/dbraw/zinc/02/32/57/373023257.db2.gz QXKMZKZUBUJBBR-UJEKJILKSA-N 2 1 277.456 2.218 20 0 CEADMP CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C[C@H](C)OC ZINC000643357088 373086185 /nfs/dbraw/zinc/08/61/85/373086185.db2.gz DZRVLJIIILQYIQ-HNNXBMFYSA-N 2 1 294.439 2.484 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2[nH]c(=O)oc2c1 ZINC000643500599 373157449 /nfs/dbraw/zinc/15/74/49/373157449.db2.gz IVFQKXOLWZBPEV-MDFVCYEDSA-N 2 1 287.363 2.467 20 0 CEADMP Oc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000367472812 373159084 /nfs/dbraw/zinc/15/90/84/373159084.db2.gz WIKQISLVGRYJHX-HYVNUMGLSA-N 2 1 272.392 2.308 20 0 CEADMP Oc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000367472812 373159092 /nfs/dbraw/zinc/15/90/92/373159092.db2.gz WIKQISLVGRYJHX-HYVNUMGLSA-N 2 1 272.392 2.308 20 0 CEADMP Oc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000367472812 373159098 /nfs/dbraw/zinc/15/90/98/373159098.db2.gz WIKQISLVGRYJHX-HYVNUMGLSA-N 2 1 272.392 2.308 20 0 CEADMP Oc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000367472812 373159106 /nfs/dbraw/zinc/15/91/06/373159106.db2.gz WIKQISLVGRYJHX-HYVNUMGLSA-N 2 1 272.392 2.308 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462738 373130540 /nfs/dbraw/zinc/13/05/40/373130540.db2.gz JJZKSJQCHGHUJK-BMGDILEWSA-N 2 1 287.451 2.019 20 0 CEADMP COC[C@@H](CCC[NH3+])[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC000643465995 373135239 /nfs/dbraw/zinc/13/52/39/373135239.db2.gz JAYKQVAJWCOFHV-MRVPVSSYSA-N 2 1 294.292 2.087 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1COc2c1cccc2Cl ZINC000643466900 373137365 /nfs/dbraw/zinc/13/73/65/373137365.db2.gz ZVCGPNHSGFRTDE-HOTUBEGUSA-N 2 1 254.761 2.489 20 0 CEADMP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000643472502 373142023 /nfs/dbraw/zinc/14/20/23/373142023.db2.gz JBEKIYOPNKJZCZ-IAQYHMDHSA-N 2 1 277.412 2.185 20 0 CEADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CCC1 ZINC000643517852 373175481 /nfs/dbraw/zinc/17/54/81/373175481.db2.gz LXKXWHMIBMICQQ-CYBMUJFWSA-N 2 1 252.308 2.423 20 0 CEADMP CCn1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000643546165 373203158 /nfs/dbraw/zinc/20/31/58/373203158.db2.gz JXEGUNWYOVYRAH-TZMCWYRMSA-N 2 1 262.401 2.228 20 0 CEADMP C[N@@H+](CCCCCF)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368498292 373241566 /nfs/dbraw/zinc/24/15/66/373241566.db2.gz GQLCRDBHQWJARA-MRXNPFEDSA-N 2 1 285.451 2.227 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000353579337 220169869 /nfs/dbraw/zinc/16/98/69/220169869.db2.gz UMKNUUGYQNWNSL-CYBMUJFWSA-N 2 1 296.484 2.430 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000353579337 220169872 /nfs/dbraw/zinc/16/98/72/220169872.db2.gz UMKNUUGYQNWNSL-CYBMUJFWSA-N 2 1 296.484 2.430 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000344952378 217367212 /nfs/dbraw/zinc/36/72/12/217367212.db2.gz SFZFMCALQRHZEI-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP COc1c(O)cccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000272223474 373369374 /nfs/dbraw/zinc/36/93/74/373369374.db2.gz CHFXWNJBSQCJIV-UHFFFAOYSA-N 2 1 278.396 2.174 20 0 CEADMP COc1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000369723855 373498002 /nfs/dbraw/zinc/49/80/02/373498002.db2.gz YKOJHNYQEKIABD-UHFFFAOYSA-N 2 1 289.423 2.398 20 0 CEADMP C[NH+]1CCC(C)(CNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000272484683 373510427 /nfs/dbraw/zinc/51/04/27/373510427.db2.gz OYXYGRWGCPFJMW-UHFFFAOYSA-N 2 1 259.357 2.102 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3COCCOC3)CC2)C1 ZINC000644551766 373526309 /nfs/dbraw/zinc/52/63/09/373526309.db2.gz AFJUKBSTKLSFHD-RHSMWYFYSA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@H]1CCOC1 ZINC000133277199 220208150 /nfs/dbraw/zinc/20/81/50/220208150.db2.gz JFURVQMMQFOPAK-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@H]1CCOC1 ZINC000133277199 220208152 /nfs/dbraw/zinc/20/81/52/220208152.db2.gz JFURVQMMQFOPAK-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC(C)(F)F ZINC000644655656 373585038 /nfs/dbraw/zinc/58/50/38/373585038.db2.gz QBDYLHBBNPTIOR-CQSZACIVSA-N 2 1 286.366 2.114 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC(C)(F)F ZINC000644655656 373585046 /nfs/dbraw/zinc/58/50/46/373585046.db2.gz QBDYLHBBNPTIOR-CQSZACIVSA-N 2 1 286.366 2.114 20 0 CEADMP CC(C)=CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644631268 373570856 /nfs/dbraw/zinc/57/08/56/373570856.db2.gz WWJCOODLUBSFGN-MRXNPFEDSA-N 2 1 262.397 2.035 20 0 CEADMP CC(C)=CC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644631268 373570868 /nfs/dbraw/zinc/57/08/68/373570868.db2.gz WWJCOODLUBSFGN-MRXNPFEDSA-N 2 1 262.397 2.035 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)O ZINC000370634564 373702387 /nfs/dbraw/zinc/70/23/87/373702387.db2.gz LUDTYCVEBNLKBX-GOEBONIOSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)O ZINC000370634564 373702391 /nfs/dbraw/zinc/70/23/91/373702391.db2.gz LUDTYCVEBNLKBX-GOEBONIOSA-N 2 1 276.424 2.258 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@@H](Nc2nc3ccc(F)cc3n2C)C1 ZINC000644863029 373748393 /nfs/dbraw/zinc/74/83/93/373748393.db2.gz CZUKVWJGXRUCJV-MFKMUULPSA-N 2 1 276.359 2.465 20 0 CEADMP CCOC(=O)[C@@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000371258036 373824251 /nfs/dbraw/zinc/82/42/51/373824251.db2.gz KJWCQPXCGINLKS-HNNXBMFYSA-N 2 1 293.411 2.389 20 0 CEADMP CCOC(=O)[C@@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000371258036 373824254 /nfs/dbraw/zinc/82/42/54/373824254.db2.gz KJWCQPXCGINLKS-HNNXBMFYSA-N 2 1 293.411 2.389 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000289519831 197386972 /nfs/dbraw/zinc/38/69/72/197386972.db2.gz BDAFHXYNXVOMOQ-HNNXBMFYSA-N 2 1 276.424 2.345 20 0 CEADMP CC(C)C[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372424369 374125621 /nfs/dbraw/zinc/12/56/21/374125621.db2.gz CZQYZRGKOIEUBE-UHFFFAOYSA-N 3 1 281.488 2.428 20 0 CEADMP COC(=O)c1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)oc1C ZINC000275120721 374159570 /nfs/dbraw/zinc/15/95/70/374159570.db2.gz VGLOCVPIBQKBIU-NHYWBVRUSA-N 2 1 294.395 2.147 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC2=CCCC2)CC1 ZINC000645800652 374192743 /nfs/dbraw/zinc/19/27/43/374192743.db2.gz CYRVIZDGMIBFGD-QGZVFWFLSA-N 2 1 277.456 2.199 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC[C@@H]2CCOC2)C1 ZINC000645811433 374199493 /nfs/dbraw/zinc/19/94/93/374199493.db2.gz WKXNVYKPLDAHJL-IAGOWNOFSA-N 2 1 280.456 2.467 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000645811433 374199498 /nfs/dbraw/zinc/19/94/98/374199498.db2.gz WKXNVYKPLDAHJL-IAGOWNOFSA-N 2 1 280.456 2.467 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645811433 374199504 /nfs/dbraw/zinc/19/95/04/374199504.db2.gz WKXNVYKPLDAHJL-IAGOWNOFSA-N 2 1 280.456 2.467 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cn1 ZINC000276972854 374365245 /nfs/dbraw/zinc/36/52/45/374365245.db2.gz QBCYXKNQNTVATQ-CQSZACIVSA-N 2 1 278.444 2.356 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)O)cc1F ZINC000373853489 374433149 /nfs/dbraw/zinc/43/31/49/374433149.db2.gz FVWFERLQWDKYKE-QWRGUYRKSA-N 2 1 277.343 2.351 20 0 CEADMP CC[NH+]1CCC([N@H+](CCOCC(F)F)C2CC2)CC1 ZINC000373739897 374414680 /nfs/dbraw/zinc/41/46/80/374414680.db2.gz CKSOOFLXXXWUOZ-UHFFFAOYSA-N 2 1 276.371 2.217 20 0 CEADMP CC[NH+]1CCC([N@@H+](CCOCC(F)F)C2CC2)CC1 ZINC000373739897 374414685 /nfs/dbraw/zinc/41/46/85/374414685.db2.gz CKSOOFLXXXWUOZ-UHFFFAOYSA-N 2 1 276.371 2.217 20 0 CEADMP CCCc1noc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000374074327 374482557 /nfs/dbraw/zinc/48/25/57/374482557.db2.gz JVXLQSPXPMXYQG-UHFFFAOYSA-N 2 1 292.427 2.330 20 0 CEADMP CCCc1noc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000374074327 374482560 /nfs/dbraw/zinc/48/25/60/374482560.db2.gz JVXLQSPXPMXYQG-UHFFFAOYSA-N 2 1 292.427 2.330 20 0 CEADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000374340038 374546502 /nfs/dbraw/zinc/54/65/02/374546502.db2.gz ZPVVPUOBZCUFDW-VVLHAWIVSA-N 2 1 298.471 2.279 20 0 CEADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000374340038 374546506 /nfs/dbraw/zinc/54/65/06/374546506.db2.gz ZPVVPUOBZCUFDW-VVLHAWIVSA-N 2 1 298.471 2.279 20 0 CEADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000374614304 374614454 /nfs/dbraw/zinc/61/44/54/374614454.db2.gz VFNBUKUUZATQTF-FZKCQIBNSA-N 2 1 284.419 2.358 20 0 CEADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000374614304 374614461 /nfs/dbraw/zinc/61/44/61/374614461.db2.gz VFNBUKUUZATQTF-FZKCQIBNSA-N 2 1 284.419 2.358 20 0 CEADMP CO[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000374662875 374627067 /nfs/dbraw/zinc/62/70/67/374627067.db2.gz OITCGIKBLVSUQJ-IAGOWNOFSA-N 2 1 298.471 2.378 20 0 CEADMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1[C@@H]3CCO[C@H]3C13CCCC3)C2 ZINC000375839107 374684513 /nfs/dbraw/zinc/68/45/13/374684513.db2.gz HRUMDIBOPURFKD-WMHQRMGPSA-N 2 1 287.407 2.135 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000377390447 374844566 /nfs/dbraw/zinc/84/45/66/374844566.db2.gz JOCYGAVQZHYLCI-MRXNPFEDSA-N 2 1 290.407 2.389 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000377390447 374844575 /nfs/dbraw/zinc/84/45/75/374844575.db2.gz JOCYGAVQZHYLCI-MRXNPFEDSA-N 2 1 290.407 2.389 20 0 CEADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](CC4=CCCOC4)C[C@@H]3C2)cc1 ZINC000279736085 374970626 /nfs/dbraw/zinc/97/06/26/374970626.db2.gz WOXNNGNWHRZPQV-KDURUIRLSA-N 2 1 298.430 2.397 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](CC4=CCCOC4)C[C@@H]3C2)cc1 ZINC000279736085 374970632 /nfs/dbraw/zinc/97/06/32/374970632.db2.gz WOXNNGNWHRZPQV-KDURUIRLSA-N 2 1 298.430 2.397 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC4=CCCOC4)C[C@@H]3C2)cc1 ZINC000279736085 374970637 /nfs/dbraw/zinc/97/06/37/374970637.db2.gz WOXNNGNWHRZPQV-KDURUIRLSA-N 2 1 298.430 2.397 20 0 CEADMP C[N@@H+](C[C@@H]1CCC=CO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377635049 374906449 /nfs/dbraw/zinc/90/64/49/374906449.db2.gz ZPEHUPIKHPDGLM-IXXDHKBRSA-N 2 1 250.386 2.236 20 0 CEADMP C[NH+](C[C@@H]1CCC=CO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377635049 374906459 /nfs/dbraw/zinc/90/64/59/374906459.db2.gz ZPEHUPIKHPDGLM-IXXDHKBRSA-N 2 1 250.386 2.236 20 0 CEADMP C[NH+](C[C@@H]1CCC=CO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377635049 374906464 /nfs/dbraw/zinc/90/64/64/374906464.db2.gz ZPEHUPIKHPDGLM-IXXDHKBRSA-N 2 1 250.386 2.236 20 0 CEADMP Cc1nccn1-c1cccc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000377976196 374990652 /nfs/dbraw/zinc/99/06/52/374990652.db2.gz ILRFTWRCTOEHBG-JSGCOSHPSA-N 2 1 297.406 2.035 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000377976196 374990659 /nfs/dbraw/zinc/99/06/59/374990659.db2.gz ILRFTWRCTOEHBG-JSGCOSHPSA-N 2 1 297.406 2.035 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000377976196 374990662 /nfs/dbraw/zinc/99/06/62/374990662.db2.gz ILRFTWRCTOEHBG-JSGCOSHPSA-N 2 1 297.406 2.035 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCC1CC1 ZINC000378401257 375093100 /nfs/dbraw/zinc/09/31/00/375093100.db2.gz JELMHNGXSWOTNS-BMFZPTHFSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1C[C@H](NC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379626562 375154199 /nfs/dbraw/zinc/15/41/99/375154199.db2.gz HHJJIXPHBKOXRY-MAUKXSAKSA-N 2 1 287.451 2.381 20 0 CEADMP CC[C@H](O)C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379646427 375156412 /nfs/dbraw/zinc/15/64/12/375156412.db2.gz IZNMXKNOFQDMQN-HOCLYGCPSA-N 2 1 264.413 2.258 20 0 CEADMP c1ccc(CN2CCC([NH2+]CCC[NH2+]C3CC3)CC2)cc1 ZINC000382579181 375190634 /nfs/dbraw/zinc/19/06/34/375190634.db2.gz DQSFECYAUYYLGY-UHFFFAOYSA-N 2 1 287.451 2.383 20 0 CEADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](C[C@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000280428553 375201243 /nfs/dbraw/zinc/20/12/43/375201243.db2.gz MIJPAVUDDCKFCJ-FGTMMUONSA-N 2 1 286.419 2.229 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](C[C@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000280428553 375201247 /nfs/dbraw/zinc/20/12/47/375201247.db2.gz MIJPAVUDDCKFCJ-FGTMMUONSA-N 2 1 286.419 2.229 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](C[C@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000280428553 375201251 /nfs/dbraw/zinc/20/12/51/375201251.db2.gz MIJPAVUDDCKFCJ-FGTMMUONSA-N 2 1 286.419 2.229 20 0 CEADMP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1OC ZINC000386144151 375253621 /nfs/dbraw/zinc/25/36/21/375253621.db2.gz QWKUGILFXCPHCS-DZGCQCFKSA-N 2 1 292.423 2.367 20 0 CEADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000384287296 375209931 /nfs/dbraw/zinc/20/99/31/375209931.db2.gz DAWAWAWKBSZLDH-BHYGNILZSA-N 2 1 276.424 2.478 20 0 CEADMP C[N@@H+](CCOc1ccccc1Cl)C1CC([NH3+])C1 ZINC000384973442 375224705 /nfs/dbraw/zinc/22/47/05/375224705.db2.gz YFKDPBDCQKTYSP-UHFFFAOYSA-N 2 1 254.761 2.140 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000387645304 375279386 /nfs/dbraw/zinc/27/93/86/375279386.db2.gz YMKKHSSLAJADNA-GJZGRUSLSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000389870990 375308112 /nfs/dbraw/zinc/30/81/12/375308112.db2.gz PWRKLCZAQPVXMH-FZCLSBEQSA-N 2 1 287.451 2.095 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000389870990 375308118 /nfs/dbraw/zinc/30/81/18/375308118.db2.gz PWRKLCZAQPVXMH-FZCLSBEQSA-N 2 1 287.451 2.095 20 0 CEADMP C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000386579434 375262262 /nfs/dbraw/zinc/26/22/62/375262262.db2.gz OEKBXXRSNMUARU-HRCADAONSA-N 2 1 267.461 2.371 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@H]([NH+](CC)CC)C1 ZINC000280818382 375331319 /nfs/dbraw/zinc/33/13/19/375331319.db2.gz XSEBVBSVFWSNID-ZDUSSCGKSA-N 2 1 291.395 2.179 20 0 CEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399192993 375360824 /nfs/dbraw/zinc/36/08/24/375360824.db2.gz QXHMFUNKKOMNKY-XUJVJEKNSA-N 2 1 250.361 2.487 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000684407016 541996993 /nfs/dbraw/zinc/99/69/93/541996993.db2.gz BQSSNPWTGAZQQW-HRCADAONSA-N 2 1 284.444 2.035 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000684407016 541996998 /nfs/dbraw/zinc/99/69/98/541996998.db2.gz BQSSNPWTGAZQQW-HRCADAONSA-N 2 1 284.444 2.035 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412562618 375612697 /nfs/dbraw/zinc/61/26/97/375612697.db2.gz XJYMYLIUQAZXOZ-UHFFFAOYSA-N 2 1 281.375 2.166 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)OCC2CC2)CC[N@H+]1C ZINC000414262609 375809457 /nfs/dbraw/zinc/80/94/57/375809457.db2.gz JMDIWDLEAZXDPX-TZMCWYRMSA-N 2 1 254.418 2.264 20 0 CEADMP COc1ncc([C@H](C)NC[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000284134735 375815652 /nfs/dbraw/zinc/81/56/52/375815652.db2.gz CZFWYZACYALFAG-JQWIXIFHSA-N 2 1 283.803 2.488 20 0 CEADMP OC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000414290922 375824951 /nfs/dbraw/zinc/82/49/51/375824951.db2.gz OCTWVSYPAWUNNE-AWEZNQCLSA-N 2 1 292.398 2.118 20 0 CEADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000414292890 375825851 /nfs/dbraw/zinc/82/58/51/375825851.db2.gz BAZWGBTZGJAGBF-BFHYXJOUSA-N 2 1 252.402 2.160 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C[C@@H]12 ZINC000414663575 375907976 /nfs/dbraw/zinc/90/79/76/375907976.db2.gz BKWIQJOJGQRZRG-DRRXZNNHSA-N 2 1 256.393 2.459 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc4c3OC(F)(F)O4)C[C@@H]12 ZINC000414667193 375908032 /nfs/dbraw/zinc/90/80/32/375908032.db2.gz HCTDSDZDUPZGGK-YUSALJHKSA-N 2 1 296.317 2.177 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4c3OC(F)(F)O4)C[C@@H]12 ZINC000414667193 375908034 /nfs/dbraw/zinc/90/80/34/375908034.db2.gz HCTDSDZDUPZGGK-YUSALJHKSA-N 2 1 296.317 2.177 20 0 CEADMP CCn1nc(C)c(C[NH2+]CC([NH3+])(CC)CC)c1C ZINC000414796829 375981072 /nfs/dbraw/zinc/98/10/72/375981072.db2.gz CMMFYOQYGKKBAW-UHFFFAOYSA-N 2 1 252.406 2.127 20 0 CEADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414788525 375971386 /nfs/dbraw/zinc/97/13/86/375971386.db2.gz WWMLINHVNMHSEQ-CVEARBPZSA-N 2 1 290.455 2.460 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]([NH3+])C(C)C)o1 ZINC000414790888 375973492 /nfs/dbraw/zinc/97/34/92/375973492.db2.gz HDGOPFGMLOKGJK-LBPRGKRZSA-N 2 1 262.357 2.051 20 0 CEADMP CC(C)Cc1ncc(C[NH2+]C2CC[NH2+]CC2)s1 ZINC000414793931 375978697 /nfs/dbraw/zinc/97/86/97/375978697.db2.gz UVUSOFDOEDVYSS-UHFFFAOYSA-N 2 1 253.415 2.183 20 0 CEADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414705690 375931477 /nfs/dbraw/zinc/93/14/77/375931477.db2.gz LUMHCEFJRCHAOD-JKSUJKDBSA-N 2 1 295.471 2.084 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000414709237 375934284 /nfs/dbraw/zinc/93/42/84/375934284.db2.gz PUMJWSGFKZCXBE-AWEZNQCLSA-N 2 1 255.450 2.038 20 0 CEADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000414717236 375938980 /nfs/dbraw/zinc/93/89/80/375938980.db2.gz XXWOELNQMOLALC-NXOAAHMSSA-N 3 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)CC[NH2+]1 ZINC000414730828 375941959 /nfs/dbraw/zinc/94/19/59/375941959.db2.gz BBGRFPLSLLHSET-LPWJVIDDSA-N 2 1 294.361 2.152 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1cccc(COC)c1 ZINC000414806174 375991833 /nfs/dbraw/zinc/99/18/33/375991833.db2.gz HJHNNZJEUBQCJE-UHFFFAOYSA-N 2 1 250.386 2.440 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000414817145 376001905 /nfs/dbraw/zinc/00/19/05/376001905.db2.gz RNLUKBAJSNYZKI-TZMCWYRMSA-N 2 1 265.401 2.128 20 0 CEADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414814293 376002463 /nfs/dbraw/zinc/00/24/63/376002463.db2.gz RMVAFHUBUVYUMO-BXUZGUMPSA-N 2 1 276.380 2.063 20 0 CEADMP C[C@H]([NH3+])CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000414819644 376006406 /nfs/dbraw/zinc/00/64/06/376006406.db2.gz HZROOEQVXQJTNY-OFQRWUPVSA-N 3 1 267.461 2.356 20 0 CEADMP CCOc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1OC ZINC000414802753 375986894 /nfs/dbraw/zinc/98/68/94/375986894.db2.gz VWNKLUIIMYREGX-ZDUSSCGKSA-N 2 1 266.385 2.167 20 0 CEADMP CCc1ccc([C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000287656829 376287852 /nfs/dbraw/zinc/28/78/52/376287852.db2.gz VEYORRWZIJBRLO-RCCFBDPRSA-N 2 1 288.435 2.499 20 0 CEADMP CC(C)CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419257638 376416665 /nfs/dbraw/zinc/41/66/65/376416665.db2.gz AKKYVQCNXIPYEC-CQSZACIVSA-N 2 1 295.471 2.144 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000262719876 190061172 /nfs/dbraw/zinc/06/11/72/190061172.db2.gz YQBIFVGFTPWHAL-PBHICJAKSA-N 2 1 291.439 2.141 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000262719878 190061188 /nfs/dbraw/zinc/06/11/88/190061188.db2.gz YQBIFVGFTPWHAL-WMLDXEAASA-N 2 1 291.439 2.141 20 0 CEADMP C[C@@H]([NH2+]CCc1cn[nH]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289804816 376510318 /nfs/dbraw/zinc/51/03/18/376510318.db2.gz ODLJPKHVFOGBLV-CRAIPNDOSA-N 2 1 298.434 2.452 20 0 CEADMP CN(C)c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000263863959 190082736 /nfs/dbraw/zinc/08/27/36/190082736.db2.gz XSQLTFNHAQHJFV-HOTGVXAUSA-N 2 1 273.424 2.469 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)CCCC[NH+](C)C ZINC000557044785 376534145 /nfs/dbraw/zinc/53/41/45/376534145.db2.gz JEVAFXRIMMLUHK-UHFFFAOYSA-N 2 1 297.487 2.441 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn2ccccc12 ZINC000264398954 190106958 /nfs/dbraw/zinc/10/69/58/190106958.db2.gz VIYKRDFOVGZMRH-UHFFFAOYSA-N 2 1 269.352 2.019 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000307965857 376575885 /nfs/dbraw/zinc/57/58/85/376575885.db2.gz MOLRTSFXQOPPFQ-BXUZGUMPSA-N 2 1 264.417 2.079 20 0 CEADMP CC[C@@](C)([NH2+]CCc1c[nH+]cn1C)c1nccs1 ZINC000290048276 376618957 /nfs/dbraw/zinc/61/89/57/376618957.db2.gz OMTJHMUZVGYACI-CYBMUJFWSA-N 2 1 264.398 2.334 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000311195212 376658916 /nfs/dbraw/zinc/65/89/16/376658916.db2.gz FMAXMZDSQFNWNR-BETUJISGSA-N 2 1 265.426 2.191 20 0 CEADMP CCOc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1OC ZINC000312579839 376722783 /nfs/dbraw/zinc/72/27/83/376722783.db2.gz VVNSNDWNUKZFPH-ZDUSSCGKSA-N 2 1 280.412 2.381 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000311578647 376676986 /nfs/dbraw/zinc/67/69/86/376676986.db2.gz STRCRKVYNSJGLE-HUUCEWRRSA-N 2 1 266.429 2.267 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420387091 376687341 /nfs/dbraw/zinc/68/73/41/376687341.db2.gz GKBSMMGIHDAWKL-CVEARBPZSA-N 3 1 267.461 2.182 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420387091 376687349 /nfs/dbraw/zinc/68/73/49/376687349.db2.gz GKBSMMGIHDAWKL-CVEARBPZSA-N 3 1 267.461 2.182 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000312263699 376706625 /nfs/dbraw/zinc/70/66/25/376706625.db2.gz PVBCPWQORWJPLP-LLVKDONJSA-N 2 1 254.349 2.264 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@@H+](CCC3CC3)CC2)CC1 ZINC000420987024 376759174 /nfs/dbraw/zinc/75/91/74/376759174.db2.gz ZLWAOKAXOVBDRV-UHFFFAOYSA-N 2 1 279.472 2.279 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ncccc2F)[C@H]2CCC[C@@H]21 ZINC000560537867 376761218 /nfs/dbraw/zinc/76/12/18/376761218.db2.gz URDBXTDNCIFDNO-ZLDLUXBVSA-N 2 1 263.360 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ncccc2F)[C@H]2CCC[C@@H]21 ZINC000560537867 376761223 /nfs/dbraw/zinc/76/12/23/376761223.db2.gz URDBXTDNCIFDNO-ZLDLUXBVSA-N 2 1 263.360 2.183 20 0 CEADMP c1coc(-c2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)no2)c1 ZINC000314820278 376784029 /nfs/dbraw/zinc/78/40/29/376784029.db2.gz WCBBEPRAZFJFBG-BETUJISGSA-N 2 1 287.363 2.366 20 0 CEADMP c1cc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc2c1OCC2 ZINC000315166839 376795340 /nfs/dbraw/zinc/79/53/40/376795340.db2.gz IKHRXCFNYWFHLM-CALCHBBNSA-N 2 1 286.419 2.095 20 0 CEADMP Cc1ccc(O)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000290512774 376814053 /nfs/dbraw/zinc/81/40/53/376814053.db2.gz PQGKQMKNAPBRNZ-DZGCQCFKSA-N 2 1 275.396 2.012 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)n1 ZINC000290512774 376814055 /nfs/dbraw/zinc/81/40/55/376814055.db2.gz PQGKQMKNAPBRNZ-DZGCQCFKSA-N 2 1 275.396 2.012 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)n1 ZINC000290512774 376814057 /nfs/dbraw/zinc/81/40/57/376814057.db2.gz PQGKQMKNAPBRNZ-DZGCQCFKSA-N 2 1 275.396 2.012 20 0 CEADMP CN(C)c1ncc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)s1 ZINC000685470652 542147742 /nfs/dbraw/zinc/14/77/42/542147742.db2.gz BTWXEKIGILZXJO-TZMCWYRMSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)s1 ZINC000685470652 542147744 /nfs/dbraw/zinc/14/77/44/542147744.db2.gz BTWXEKIGILZXJO-TZMCWYRMSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000685470652 542147750 /nfs/dbraw/zinc/14/77/50/542147750.db2.gz BTWXEKIGILZXJO-TZMCWYRMSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)s1 ZINC000685470652 542147752 /nfs/dbraw/zinc/14/77/52/542147752.db2.gz BTWXEKIGILZXJO-TZMCWYRMSA-N 2 1 294.468 2.125 20 0 CEADMP COC1(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCCC1 ZINC000319537999 376817632 /nfs/dbraw/zinc/81/76/32/376817632.db2.gz BACFLUTZHNAYHS-MELADBBJSA-N 2 1 252.402 2.005 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3cnn(C)c3c2)[C@@H](C)C1 ZINC000562280562 376857392 /nfs/dbraw/zinc/85/73/92/376857392.db2.gz AICUAOPKHUZBGA-BBRMVZONSA-N 2 1 286.423 2.393 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3cnn(C)c3c2)[C@@H](C)C1 ZINC000562280565 376857459 /nfs/dbraw/zinc/85/74/59/376857459.db2.gz AICUAOPKHUZBGA-XJKSGUPXSA-N 2 1 286.423 2.393 20 0 CEADMP CC[C@H]([NH2+]CCOc1ccccc1C)[C@@H]1CCC[NH2+]1 ZINC000422938602 376867923 /nfs/dbraw/zinc/86/79/23/376867923.db2.gz HJDSUNNKZNRLBU-GJZGRUSLSA-N 2 1 262.397 2.494 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000422961000 376886758 /nfs/dbraw/zinc/88/67/58/376886758.db2.gz AKSYBXZFZFOYQD-OAGGEKHMSA-N 2 1 291.439 2.394 20 0 CEADMP C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)C1C[NH2+]C1 ZINC000422963210 376889203 /nfs/dbraw/zinc/88/92/03/376889203.db2.gz HZNIYEIXMLAELE-LBPRGKRZSA-N 2 1 275.396 2.101 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)CC2 ZINC000423079417 376972195 /nfs/dbraw/zinc/97/21/95/376972195.db2.gz QTRYBUOFAXRJMN-BMFZPTHFSA-N 2 1 290.455 2.442 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)CC2 ZINC000423079428 376972511 /nfs/dbraw/zinc/97/25/11/376972511.db2.gz QTRYBUOFAXRJMN-KBMXLJTQSA-N 2 1 290.455 2.442 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422998070 376914992 /nfs/dbraw/zinc/91/49/92/376914992.db2.gz PKJVBBFCDSPCJH-GJZGRUSLSA-N 3 1 255.450 2.071 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000423064570 376952800 /nfs/dbraw/zinc/95/28/00/376952800.db2.gz RTKZWUFZRARIJE-QNWHQSFQSA-N 2 1 294.361 2.200 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000423064892 376954652 /nfs/dbraw/zinc/95/46/52/376954652.db2.gz SJHAYUGGIODUAL-OKZBNKHCSA-N 2 1 287.451 2.366 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000290860413 376957918 /nfs/dbraw/zinc/95/79/18/376957918.db2.gz KINYABRKHVWLND-CYBMUJFWSA-N 2 1 287.411 2.168 20 0 CEADMP C[C@H](NC[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423075104 376967371 /nfs/dbraw/zinc/96/73/71/376967371.db2.gz NOXWRDHZQYNSHO-CWRNSKLLSA-N 2 1 265.445 2.124 20 0 CEADMP CC1(C)CCC[N@@H+](CCN[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000423077100 376969761 /nfs/dbraw/zinc/96/97/61/376969761.db2.gz SKUFNKOXYNXQSY-LSDHHAIUSA-N 2 1 267.461 2.216 20 0 CEADMP CC1(C)CCCN(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000423077100 376969766 /nfs/dbraw/zinc/96/97/66/376969766.db2.gz SKUFNKOXYNXQSY-LSDHHAIUSA-N 2 1 267.461 2.216 20 0 CEADMP CCC(O)(CC)CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423075905 376969844 /nfs/dbraw/zinc/96/98/44/376969844.db2.gz XWXRIUHMSHHNKG-LLVKDONJSA-N 2 1 251.374 2.086 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000423118445 377012328 /nfs/dbraw/zinc/01/23/28/377012328.db2.gz APCPRNTVVOYGEG-MPTYRVRUSA-N 2 1 275.440 2.365 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000423118445 377012334 /nfs/dbraw/zinc/01/23/34/377012334.db2.gz APCPRNTVVOYGEG-MPTYRVRUSA-N 2 1 275.440 2.365 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)C[N@@H+](C)C(C)C ZINC000423119174 377015191 /nfs/dbraw/zinc/01/51/91/377015191.db2.gz BONBDKMGMAKUSA-OLZOCXBDSA-N 2 1 278.444 2.228 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)CN(C)C(C)C ZINC000423119174 377015203 /nfs/dbraw/zinc/01/52/03/377015203.db2.gz BONBDKMGMAKUSA-OLZOCXBDSA-N 2 1 278.444 2.228 20 0 CEADMP CC(C)c1nnc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)s1 ZINC000423121305 377017507 /nfs/dbraw/zinc/01/75/07/377017507.db2.gz ARUYNKKKZJLNQB-JTQLQIEISA-N 2 1 291.424 2.362 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000423121879 377018096 /nfs/dbraw/zinc/01/80/96/377018096.db2.gz JMZCLSRVAAQAOU-UMVBOHGHSA-N 2 1 260.381 2.283 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000423129943 377026937 /nfs/dbraw/zinc/02/69/37/377026937.db2.gz RKRWMTBEZIVCFD-QSDJMHMYSA-N 2 1 252.333 2.363 20 0 CEADMP COc1cccc(C2(C[NH2+][C@H]3C[NH2+]CC[C@H]3C)CC2)c1 ZINC000423128661 377027020 /nfs/dbraw/zinc/02/70/20/377027020.db2.gz WCXGDIXXGHRPAT-CJNGLKHVSA-N 2 1 274.408 2.314 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423133233 377031914 /nfs/dbraw/zinc/03/19/14/377031914.db2.gz CNEFSQRSMPQMBH-KFWWJZLASA-N 2 1 255.450 2.227 20 0 CEADMP CC(C)OC(=O)[C@@H]([NH2+][C@H](C)CCCC[NH3+])C(C)C ZINC000423146812 377046379 /nfs/dbraw/zinc/04/63/79/377046379.db2.gz BBUAHXGMBBSFLD-OLZOCXBDSA-N 2 1 258.406 2.070 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423089920 376981235 /nfs/dbraw/zinc/98/12/35/376981235.db2.gz WFINYCVHHLHWEC-YJBOKZPZSA-N 2 1 287.451 2.491 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1ccccc1F ZINC000423093474 376988315 /nfs/dbraw/zinc/98/83/15/376988315.db2.gz HPTDRIFJCBTXAF-IUODEOHRSA-N 2 1 250.361 2.346 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423093262 376988519 /nfs/dbraw/zinc/98/85/19/376988519.db2.gz GUSLEOPJJPEFOI-GUYJKWIASA-N 2 1 288.391 2.453 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423095451 376989110 /nfs/dbraw/zinc/98/91/10/376989110.db2.gz MGUNMAWFFIKCGK-OFQRWUPVSA-N 2 1 267.461 2.499 20 0 CEADMP C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)[C@@H]1CCCC[NH2+]1 ZINC000423103614 376996310 /nfs/dbraw/zinc/99/63/10/376996310.db2.gz LJKGIQDCTADZLI-WFASDCNBSA-N 2 1 272.396 2.226 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000423101975 376996449 /nfs/dbraw/zinc/99/64/49/376996449.db2.gz WSESMBPOTJQXOO-PVAVHDDUSA-N 2 1 279.472 2.371 20 0 CEADMP CC(C)[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423195214 377111519 /nfs/dbraw/zinc/11/15/19/377111519.db2.gz YWLBOQYGXPYWKK-AWEZNQCLSA-N 2 1 251.349 2.259 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000423199301 377115679 /nfs/dbraw/zinc/11/56/79/377115679.db2.gz JPCULOJTHRHMHI-CYBMUJFWSA-N 2 1 266.410 2.431 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H](C)CCCCO ZINC000423164003 377067218 /nfs/dbraw/zinc/06/72/18/377067218.db2.gz WKBHAVAZQQNYMW-FMKPAKJESA-N 2 1 264.413 2.086 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cnccc1N ZINC000423164378 377068312 /nfs/dbraw/zinc/06/83/12/377068312.db2.gz OJYBZBLMOVBFGL-GFCCVEGCSA-N 2 1 262.401 2.019 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1c[nH+]ccc1N ZINC000423164378 377068316 /nfs/dbraw/zinc/06/83/16/377068316.db2.gz OJYBZBLMOVBFGL-GFCCVEGCSA-N 3 1 262.401 2.019 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1c[nH+]ccc1N ZINC000423164378 377068325 /nfs/dbraw/zinc/06/83/25/377068325.db2.gz OJYBZBLMOVBFGL-GFCCVEGCSA-N 3 1 262.401 2.019 20 0 CEADMP Cc1cnccc1CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000563041474 377072489 /nfs/dbraw/zinc/07/24/89/377072489.db2.gz DQODVDYNWQNXHP-HNNXBMFYSA-N 2 1 261.413 2.206 20 0 CEADMP Cc1cnccc1CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000563041474 377072496 /nfs/dbraw/zinc/07/24/96/377072496.db2.gz DQODVDYNWQNXHP-HNNXBMFYSA-N 2 1 261.413 2.206 20 0 CEADMP Cc1cnccc1CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000563041474 377072504 /nfs/dbraw/zinc/07/25/04/377072504.db2.gz DQODVDYNWQNXHP-HNNXBMFYSA-N 2 1 261.413 2.206 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@@H]3CCNC3=O)C1)CCCC2 ZINC000330285796 377083373 /nfs/dbraw/zinc/08/33/73/377083373.db2.gz ACMKUBATBJBUOM-SWLSCSKDSA-N 2 1 288.395 2.046 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@@H]3CCNC3=O)C1)CCCC2 ZINC000330285796 377083379 /nfs/dbraw/zinc/08/33/79/377083379.db2.gz ACMKUBATBJBUOM-SWLSCSKDSA-N 2 1 288.395 2.046 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@@H](NCC[NH2+]C2CCCCCC2)C1 ZINC000423270542 377192169 /nfs/dbraw/zinc/19/21/69/377192169.db2.gz GQFRIJZAFNAUDY-ZBFHGGJFSA-N 2 1 267.461 2.229 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423271817 377193109 /nfs/dbraw/zinc/19/31/09/377193109.db2.gz JKLSJPSQSAKIEY-KBAYOESNSA-N 2 1 289.467 2.470 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000423272936 377194699 /nfs/dbraw/zinc/19/46/99/377194699.db2.gz KHRUNMQUNJEHJO-WFASDCNBSA-N 2 1 278.396 2.354 20 0 CEADMP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000423218835 377133010 /nfs/dbraw/zinc/13/30/10/377133010.db2.gz VCTNNAQFMWTDJT-JKSUJKDBSA-N 2 1 262.397 2.179 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+][C@@H](C[NH3+])CC(C)C)CC1 ZINC000423257675 377176161 /nfs/dbraw/zinc/17/61/61/377176161.db2.gz AAYWOUDWCKULKF-NPCAHTBFSA-N 2 1 284.444 2.461 20 0 CEADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423269416 377189388 /nfs/dbraw/zinc/18/93/88/377189388.db2.gz HCQXLQPALVENMO-KGLIPLIRSA-N 2 1 266.360 2.395 20 0 CEADMP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C[NH3+])C1CC1 ZINC000423280896 377207990 /nfs/dbraw/zinc/20/79/90/377207990.db2.gz TVUKSGITSJMJIN-ZIAGYGMSSA-N 2 1 264.344 2.149 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](COC)c1ccc(F)c(F)c1 ZINC000423283642 377212424 /nfs/dbraw/zinc/21/24/24/377212424.db2.gz XRJFBOHGEHECGV-QMTHXVAHSA-N 2 1 272.339 2.097 20 0 CEADMP C[C@@H]1CC([NH2+]C2(CCO)CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000563414893 377214383 /nfs/dbraw/zinc/21/43/83/377214383.db2.gz ATJNFJFAWZSMFV-KBPBESRZSA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000423288454 377217190 /nfs/dbraw/zinc/21/71/90/377217190.db2.gz SDOXGQDHLJDCOY-LBPRGKRZSA-N 2 1 264.369 2.236 20 0 CEADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423292474 377222327 /nfs/dbraw/zinc/22/23/27/377222327.db2.gz NDTAMKBDURWSFL-LLVKDONJSA-N 3 1 264.417 2.017 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423336940 377267986 /nfs/dbraw/zinc/26/79/86/377267986.db2.gz UTDGFTMWYVMRMK-DTWKUNHWSA-N 2 1 289.192 2.456 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1OC ZINC000423310357 377239300 /nfs/dbraw/zinc/23/93/00/377239300.db2.gz ADAWOHNHIKJGBU-MFKMUULPSA-N 2 1 264.369 2.092 20 0 CEADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423315446 377245424 /nfs/dbraw/zinc/24/54/24/377245424.db2.gz IRXPYMHZPAOWNR-CVEARBPZSA-N 2 1 260.381 2.400 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)CC(C)C ZINC000563631829 377269182 /nfs/dbraw/zinc/26/91/82/377269182.db2.gz OTVTZYFNIKIHAQ-HUUCEWRRSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)CC(C)C ZINC000563631829 377269189 /nfs/dbraw/zinc/26/91/89/377269189.db2.gz OTVTZYFNIKIHAQ-HUUCEWRRSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)CC(C)C ZINC000563631829 377269193 /nfs/dbraw/zinc/26/91/93/377269193.db2.gz OTVTZYFNIKIHAQ-HUUCEWRRSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)CC(C)C ZINC000563631829 377269200 /nfs/dbraw/zinc/26/92/00/377269200.db2.gz OTVTZYFNIKIHAQ-HUUCEWRRSA-N 2 1 256.434 2.200 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH3+])c2ccccc21 ZINC000423319889 377250624 /nfs/dbraw/zinc/25/06/24/377250624.db2.gz FXZBHIGWXAQYEM-DFBGVHRSSA-N 2 1 276.380 2.105 20 0 CEADMP C[C@H](C[NH3+])N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423322466 377255351 /nfs/dbraw/zinc/25/53/51/377255351.db2.gz IQLVZRKPEPRHOC-VDHUWJSZSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]([NH3+])C1CC1 ZINC000423327329 377260828 /nfs/dbraw/zinc/26/08/28/377260828.db2.gz RHVRUUBGKYHJQZ-JLSDUUJJSA-N 2 1 287.451 2.224 20 0 CEADMP COc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)ccc1F ZINC000423277753 377202052 /nfs/dbraw/zinc/20/20/52/377202052.db2.gz OOQMCKCJWMVNDJ-NOZJJQNGSA-N 2 1 252.333 2.222 20 0 CEADMP CC[C@@](C)(C(=O)OC)[N@@H+](CCc1cncn1C)CC1CC1 ZINC000425507751 377355649 /nfs/dbraw/zinc/35/56/49/377355649.db2.gz FXGSBJRIMQDTPK-INIZCTEOSA-N 2 1 293.411 2.016 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]3COCC[C@H]31)C[NH2+]CC2 ZINC000564804041 377459092 /nfs/dbraw/zinc/45/90/92/377459092.db2.gz OORCWGVSPVVQPW-SJLPKXTDSA-N 2 1 286.419 2.333 20 0 CEADMP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000429145016 377512574 /nfs/dbraw/zinc/51/25/74/377512574.db2.gz UNCANMLEOSNUQA-UONOGXRCSA-N 2 1 297.830 2.042 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000685657944 542176301 /nfs/dbraw/zinc/17/63/01/542176301.db2.gz VEBXGZHAFQYZSA-OAGGEKHMSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000685657944 542176302 /nfs/dbraw/zinc/17/63/02/542176302.db2.gz VEBXGZHAFQYZSA-OAGGEKHMSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000685657944 542176303 /nfs/dbraw/zinc/17/63/03/542176303.db2.gz VEBXGZHAFQYZSA-OAGGEKHMSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000430743381 377547722 /nfs/dbraw/zinc/54/77/22/377547722.db2.gz OHCQKEYQCGQPBF-IJEWVQPXSA-N 2 1 289.423 2.066 20 0 CEADMP C[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000430743381 377547726 /nfs/dbraw/zinc/54/77/26/377547726.db2.gz OHCQKEYQCGQPBF-IJEWVQPXSA-N 2 1 289.423 2.066 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000685666084 542177890 /nfs/dbraw/zinc/17/78/90/542177890.db2.gz ZESIWFRAJVBUDD-BZUAXINKSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000685666084 542177894 /nfs/dbraw/zinc/17/78/94/542177894.db2.gz ZESIWFRAJVBUDD-BZUAXINKSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000685666084 542177900 /nfs/dbraw/zinc/17/79/00/542177900.db2.gz ZESIWFRAJVBUDD-BZUAXINKSA-N 2 1 267.461 2.323 20 0 CEADMP C[NH2+]C[C@](C)(O)C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000565093094 377555314 /nfs/dbraw/zinc/55/53/14/377555314.db2.gz PFJWZCFOMDEIPD-MFKMUULPSA-N 2 1 290.329 2.326 20 0 CEADMP C[C@H]1c2ccccc2CCN1Cc1nc(C(C)(C)N)no1 ZINC000431074533 377594233 /nfs/dbraw/zinc/59/42/33/377594233.db2.gz VKJJZWZCWQOESQ-NSHDSACASA-N 2 1 286.379 2.383 20 0 CEADMP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166751149 542211034 /nfs/dbraw/zinc/21/10/34/542211034.db2.gz HEYWJPWPFUTIBD-HUUCEWRRSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@H](CCCC[NH3+])NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000565706684 377688730 /nfs/dbraw/zinc/68/87/30/377688730.db2.gz UVAHPQIVECMXHS-CQSZACIVSA-N 2 1 298.475 2.020 20 0 CEADMP Cc1cc(C)c(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c(C)c1 ZINC000565769256 377695135 /nfs/dbraw/zinc/69/51/35/377695135.db2.gz GKVCEEUFAPMRTB-MRXNPFEDSA-N 2 1 276.424 2.157 20 0 CEADMP Cc1cc(C)c(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c(C)c1 ZINC000565769256 377695140 /nfs/dbraw/zinc/69/51/40/377695140.db2.gz GKVCEEUFAPMRTB-MRXNPFEDSA-N 2 1 276.424 2.157 20 0 CEADMP C[C@H](C[NH2+][C@@H](c1cncc(F)c1)C1CC1)C[NH+](C)C ZINC000293730431 377727299 /nfs/dbraw/zinc/72/72/99/377727299.db2.gz QAVXVNRFVHRHOU-IAQYHMDHSA-N 2 1 265.376 2.459 20 0 CEADMP Cc1cc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)ccc1C[NH+](C)C ZINC000566865968 377778616 /nfs/dbraw/zinc/77/86/16/377778616.db2.gz GNSXGEASIQPQOZ-CQSZACIVSA-N 2 1 289.423 2.335 20 0 CEADMP CC(C)[C@@]1(CO)CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000567058860 377797473 /nfs/dbraw/zinc/79/74/73/377797473.db2.gz HGSFRIPSEKZSNT-INIZCTEOSA-N 2 1 279.428 2.083 20 0 CEADMP CC(C)[C@@]1(CO)CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000567058860 377797480 /nfs/dbraw/zinc/79/74/80/377797480.db2.gz HGSFRIPSEKZSNT-INIZCTEOSA-N 2 1 279.428 2.083 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000437776176 377862919 /nfs/dbraw/zinc/86/29/19/377862919.db2.gz OXOXYXVRYHWAGB-JKSUJKDBSA-N 2 1 268.445 2.371 20 0 CEADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]CC[C@@H]1CCOC1)C2 ZINC000438068048 377879444 /nfs/dbraw/zinc/87/94/44/377879444.db2.gz XLEJFBJBYADDGH-MRXNPFEDSA-N 2 1 288.435 2.451 20 0 CEADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]CC[C@@H]1CCOC1)C2 ZINC000438068048 377879451 /nfs/dbraw/zinc/87/94/51/377879451.db2.gz XLEJFBJBYADDGH-MRXNPFEDSA-N 2 1 288.435 2.451 20 0 CEADMP C[C@H](C[NH2+]CC[C@H]1CCOC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000438086009 377880574 /nfs/dbraw/zinc/88/05/74/377880574.db2.gz QYMJQUYBCVJOJZ-KFWWJZLASA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H](C[NH2+]CC[C@H]1CCOC1)[N@H+]1CCC[C@@H](C)C1 ZINC000438086009 377880578 /nfs/dbraw/zinc/88/05/78/377880578.db2.gz QYMJQUYBCVJOJZ-KFWWJZLASA-N 2 1 254.418 2.123 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442923707 378018966 /nfs/dbraw/zinc/01/89/66/378018966.db2.gz NADXGWPBGUUFDT-ZDUSSCGKSA-N 2 1 278.444 2.106 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442925455 378019582 /nfs/dbraw/zinc/01/95/82/378019582.db2.gz VPWAMVZGIPLSIG-OAHLLOKOSA-N 3 1 299.422 2.137 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442925455 378019590 /nfs/dbraw/zinc/01/95/90/378019590.db2.gz VPWAMVZGIPLSIG-OAHLLOKOSA-N 2 1 299.422 2.137 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442925455 378019602 /nfs/dbraw/zinc/01/96/02/378019602.db2.gz VPWAMVZGIPLSIG-OAHLLOKOSA-N 2 1 299.422 2.137 20 0 CEADMP COCC[N@H+](CCCn1cc[nH+]c1C)Cc1cncs1 ZINC000447837905 378146956 /nfs/dbraw/zinc/14/69/56/378146956.db2.gz XSMRSMAUXPMLRH-UHFFFAOYSA-N 2 1 294.424 2.187 20 0 CEADMP COCC[N@@H+](CCCn1cc[nH+]c1C)Cc1cncs1 ZINC000447837905 378146959 /nfs/dbraw/zinc/14/69/59/378146959.db2.gz XSMRSMAUXPMLRH-UHFFFAOYSA-N 2 1 294.424 2.187 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccsc1 ZINC000295792463 378305936 /nfs/dbraw/zinc/30/59/36/378305936.db2.gz BQCCYMHPKSXUIF-UONOGXRCSA-N 2 1 268.426 2.246 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1(C(=O)OC)CC1 ZINC000295889257 378345613 /nfs/dbraw/zinc/34/56/13/378345613.db2.gz DLNLYWIYWLWCQG-UHFFFAOYSA-N 2 1 293.411 2.111 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1(C(=O)OC)CC1 ZINC000295889257 378345621 /nfs/dbraw/zinc/34/56/21/378345621.db2.gz DLNLYWIYWLWCQG-UHFFFAOYSA-N 2 1 293.411 2.111 20 0 CEADMP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000296254787 378466791 /nfs/dbraw/zinc/46/67/91/378466791.db2.gz DAYXFNSLBPJEST-HUUCEWRRSA-N 2 1 261.413 2.395 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CCc2cscn2)C[C@@H]1C ZINC000450467133 378432799 /nfs/dbraw/zinc/43/27/99/378432799.db2.gz KMZPWDCLBNKWDQ-GXTWGEPZSA-N 2 1 267.442 2.490 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2cscn2)C[C@@H]1C ZINC000450467133 378432803 /nfs/dbraw/zinc/43/28/03/378432803.db2.gz KMZPWDCLBNKWDQ-GXTWGEPZSA-N 2 1 267.442 2.490 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cscn2)C[C@@H]1C ZINC000450467133 378432810 /nfs/dbraw/zinc/43/28/10/378432810.db2.gz KMZPWDCLBNKWDQ-GXTWGEPZSA-N 2 1 267.442 2.490 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC1CC(F)(F)C1 ZINC000450598249 378492374 /nfs/dbraw/zinc/49/23/74/378492374.db2.gz JIOLHMLYOAPCFG-RDBSUJKOSA-N 2 1 288.382 2.215 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccccc2)[C@H](C)C1 ZINC000266117933 190231757 /nfs/dbraw/zinc/23/17/57/190231757.db2.gz OKUAUJVUEYPOKX-PVAVHDDUSA-N 2 1 276.424 2.214 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C)[C@H](C)[C@H]1C ZINC000450651852 378520530 /nfs/dbraw/zinc/52/05/30/378520530.db2.gz MCQIVBZMXARTJA-BZUAXINKSA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000450651852 378520537 /nfs/dbraw/zinc/52/05/37/378520537.db2.gz MCQIVBZMXARTJA-BZUAXINKSA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000450651852 378520543 /nfs/dbraw/zinc/52/05/43/378520543.db2.gz MCQIVBZMXARTJA-BZUAXINKSA-N 2 1 267.461 2.274 20 0 CEADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CCCCCC1 ZINC000346557956 217942659 /nfs/dbraw/zinc/94/26/59/217942659.db2.gz NDROOSGVYMIHIO-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H](Cc1cnccn1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000453064541 378791367 /nfs/dbraw/zinc/79/13/67/378791367.db2.gz WTTBSQGEBCEDCO-AWEZNQCLSA-N 2 1 276.428 2.262 20 0 CEADMP COc1c(C)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC000346844199 218033506 /nfs/dbraw/zinc/03/35/06/218033506.db2.gz LDXTUJNQLVMMIF-XHSDSOJGSA-N 2 1 274.408 2.481 20 0 CEADMP COc1c(C)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000346844195 218034702 /nfs/dbraw/zinc/03/47/02/218034702.db2.gz LDXTUJNQLVMMIF-HRCADAONSA-N 2 1 274.408 2.481 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c[nH]nc43)C[C@H]21 ZINC000346853068 218038063 /nfs/dbraw/zinc/03/80/63/218038063.db2.gz XPLYQYCUQOEKNQ-NWANDNLSSA-N 2 1 270.380 2.122 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[NH+](C)[C@H]3CCC[C@@H]31)C2 ZINC000453347557 378869751 /nfs/dbraw/zinc/86/97/51/378869751.db2.gz KRKGIONTFRTFTR-NCHGBYHQSA-N 2 1 277.456 2.074 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@H+](C)[C@H]3CCC[C@@H]31)C2 ZINC000453347557 378869753 /nfs/dbraw/zinc/86/97/53/378869753.db2.gz KRKGIONTFRTFTR-NCHGBYHQSA-N 2 1 277.456 2.074 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@@H+](C)[C@H]3CCC[C@@H]31)C2 ZINC000453347557 378869756 /nfs/dbraw/zinc/86/97/56/378869756.db2.gz KRKGIONTFRTFTR-NCHGBYHQSA-N 2 1 277.456 2.074 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[NH+](C)[C@H]3CCC[C@@H]31)C2 ZINC000453347557 378869758 /nfs/dbraw/zinc/86/97/58/378869758.db2.gz KRKGIONTFRTFTR-NCHGBYHQSA-N 3 1 277.456 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[NH+](C)[C@H]3CCC[C@@H]31)C2 ZINC000453347557 378869761 /nfs/dbraw/zinc/86/97/61/378869761.db2.gz KRKGIONTFRTFTR-NCHGBYHQSA-N 3 1 277.456 2.074 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[N@H+](C)[C@H]3CCC[C@@H]31)C2 ZINC000453347557 378869763 /nfs/dbraw/zinc/86/97/63/378869763.db2.gz KRKGIONTFRTFTR-NCHGBYHQSA-N 3 1 277.456 2.074 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[N@@H+](C)[C@H]3CCC[C@@H]31)C2 ZINC000453347557 378869767 /nfs/dbraw/zinc/86/97/67/378869767.db2.gz KRKGIONTFRTFTR-NCHGBYHQSA-N 3 1 277.456 2.074 20 0 CEADMP Cn1ccnc1[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CC1 ZINC000453389405 378883247 /nfs/dbraw/zinc/88/32/47/378883247.db2.gz CGZOAWANNQUSPA-OAHLLOKOSA-N 2 1 276.428 2.335 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CN1C1CC1 ZINC000453405313 378889749 /nfs/dbraw/zinc/88/97/49/378889749.db2.gz QIDIZJALARLKHA-KGLIPLIRSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)CC[N@H+]1C ZINC000453362590 378874645 /nfs/dbraw/zinc/87/46/45/378874645.db2.gz BJQHOUXPVXXZCZ-KGLIPLIRSA-N 2 1 268.445 2.390 20 0 CEADMP CC(C)n1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)cn1 ZINC000453593020 378916609 /nfs/dbraw/zinc/91/66/09/378916609.db2.gz GBPXNSDWMGIYFS-UHFFFAOYSA-N 2 1 264.417 2.428 20 0 CEADMP CCC(C)(C)OCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000453617316 378921589 /nfs/dbraw/zinc/92/15/89/378921589.db2.gz QSADRSFIPPDLHY-UHFFFAOYSA-N 2 1 265.401 2.442 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000347039602 218100326 /nfs/dbraw/zinc/10/03/26/218100326.db2.gz HNVUPNYVJNYUHO-ZDUSSCGKSA-N 2 1 299.422 2.135 20 0 CEADMP CCOCc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1OC ZINC000347088538 218117092 /nfs/dbraw/zinc/11/70/92/218117092.db2.gz FGVWALHZYQBBMB-AWEZNQCLSA-N 2 1 278.396 2.012 20 0 CEADMP CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000347111768 218125697 /nfs/dbraw/zinc/12/56/97/218125697.db2.gz ORFKRBQUELFGOV-OLZOCXBDSA-N 2 1 263.385 2.040 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000347111768 218125698 /nfs/dbraw/zinc/12/56/98/218125698.db2.gz ORFKRBQUELFGOV-OLZOCXBDSA-N 2 1 263.385 2.040 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1OC(C)C ZINC000347115459 218125941 /nfs/dbraw/zinc/12/59/41/218125941.db2.gz UQHGQGOINQLHAJ-CYBMUJFWSA-N 2 1 278.396 2.263 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1OC(C)C ZINC000347115459 218125946 /nfs/dbraw/zinc/12/59/46/218125946.db2.gz UQHGQGOINQLHAJ-CYBMUJFWSA-N 2 1 278.396 2.263 20 0 CEADMP CC(C)n1ncc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)cnc21 ZINC000347131391 218133526 /nfs/dbraw/zinc/13/35/26/218133526.db2.gz QXONAFKRNUUOAE-IUODEOHRSA-N 2 1 287.411 2.181 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)cnc21 ZINC000347131391 218133528 /nfs/dbraw/zinc/13/35/28/218133528.db2.gz QXONAFKRNUUOAE-IUODEOHRSA-N 2 1 287.411 2.181 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347173564 218144992 /nfs/dbraw/zinc/14/49/92/218144992.db2.gz PEBYDRNKKYYWSK-HNNXBMFYSA-N 2 1 298.390 2.310 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347173564 218144994 /nfs/dbraw/zinc/14/49/94/218144994.db2.gz PEBYDRNKKYYWSK-HNNXBMFYSA-N 2 1 298.390 2.310 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)cc(OC)nc2C)C1 ZINC000347127398 218130635 /nfs/dbraw/zinc/13/06/35/218130635.db2.gz ZDPXJLGYZJTXSR-CQSZACIVSA-N 2 1 277.412 2.138 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)cc(OC)nc2C)C1 ZINC000347127398 218130636 /nfs/dbraw/zinc/13/06/36/218130636.db2.gz ZDPXJLGYZJTXSR-CQSZACIVSA-N 2 1 277.412 2.138 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cn1 ZINC000347311236 218187635 /nfs/dbraw/zinc/18/76/35/218187635.db2.gz LZTNGFOZHHDDSS-CHWSQXEVSA-N 2 1 252.406 2.455 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000513053409 379124743 /nfs/dbraw/zinc/12/47/43/379124743.db2.gz YSAMWZDFBGCQLL-XUWVNRHRSA-N 2 1 296.455 2.428 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000513053409 379124754 /nfs/dbraw/zinc/12/47/54/379124754.db2.gz YSAMWZDFBGCQLL-XUWVNRHRSA-N 2 1 296.455 2.428 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000516861351 379316734 /nfs/dbraw/zinc/31/67/34/379316734.db2.gz SCFSDNXKTAIYAM-SMDDNHRTSA-N 2 1 284.350 2.418 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000517033278 379338333 /nfs/dbraw/zinc/33/83/33/379338333.db2.gz QFTYDLLHFVIHRA-KGLIPLIRSA-N 2 1 289.423 2.120 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000266615337 190271077 /nfs/dbraw/zinc/27/10/77/190271077.db2.gz JJAJIPGEJYCGHO-BBRMVZONSA-N 2 1 280.387 2.133 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000266615337 190271078 /nfs/dbraw/zinc/27/10/78/190271078.db2.gz JJAJIPGEJYCGHO-BBRMVZONSA-N 2 1 280.387 2.133 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000266615337 190271079 /nfs/dbraw/zinc/27/10/79/190271079.db2.gz JJAJIPGEJYCGHO-BBRMVZONSA-N 2 1 280.387 2.133 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000266615337 190271080 /nfs/dbraw/zinc/27/10/80/190271080.db2.gz JJAJIPGEJYCGHO-BBRMVZONSA-N 2 1 280.387 2.133 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC(C2CCCCC2)C1 ZINC000518564091 379394425 /nfs/dbraw/zinc/39/44/25/379394425.db2.gz GRVZUCSJZJQFKQ-MRXNPFEDSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC(C2CCCCC2)C1 ZINC000518564091 379394429 /nfs/dbraw/zinc/39/44/29/379394429.db2.gz GRVZUCSJZJQFKQ-MRXNPFEDSA-N 2 1 268.445 2.200 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)CC)CC1 ZINC000303993170 379506330 /nfs/dbraw/zinc/50/63/30/379506330.db2.gz NQJGXQOELMNBBY-HNNXBMFYSA-N 2 1 256.434 2.201 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000523120720 379586112 /nfs/dbraw/zinc/58/61/12/379586112.db2.gz ADXAQTKROYEGFY-XUWVNRHRSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000523120720 379586118 /nfs/dbraw/zinc/58/61/18/379586118.db2.gz ADXAQTKROYEGFY-XUWVNRHRSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000523120720 379586122 /nfs/dbraw/zinc/58/61/22/379586122.db2.gz ADXAQTKROYEGFY-XUWVNRHRSA-N 2 1 295.471 2.094 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)NCc1[nH]cnc1C)c1ccccc1 ZINC000266949515 190292874 /nfs/dbraw/zinc/29/28/74/190292874.db2.gz DVAVKLAWOIKWIL-HNNXBMFYSA-N 2 1 286.379 2.027 20 0 CEADMP CCN(C)[C@H](C(=O)NCc1[nH]cnc1C)c1ccccc1 ZINC000266949515 190292875 /nfs/dbraw/zinc/29/28/75/190292875.db2.gz DVAVKLAWOIKWIL-HNNXBMFYSA-N 2 1 286.379 2.027 20 0 CEADMP CC[C@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)[NH+](CC)CC ZINC000267208551 190311884 /nfs/dbraw/zinc/31/18/84/190311884.db2.gz GADXUYLDPSSPFA-CYBMUJFWSA-N 2 1 278.400 2.207 20 0 CEADMP O=C1CCC(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000347753829 218346522 /nfs/dbraw/zinc/34/65/22/218346522.db2.gz VJZPFGFSALKNMF-HNNXBMFYSA-N 2 1 264.413 2.163 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@]1(C)COc2ccccc2O1 ZINC000527937179 379851394 /nfs/dbraw/zinc/85/13/94/379851394.db2.gz VAMGFSVFACVKPC-CKEIUWERSA-N 2 1 290.407 2.146 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000580324221 322311212 /nfs/dbraw/zinc/31/12/12/322311212.db2.gz AWBOGZATDDKJAG-HUUCEWRRSA-N 2 1 262.397 2.494 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)o1 ZINC000333803221 380151170 /nfs/dbraw/zinc/15/11/70/380151170.db2.gz YNTBUIRNBZNCJN-QLFBSQMISA-N 2 1 263.385 2.383 20 0 CEADMP Cc1cncc(CN2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000334389511 380342593 /nfs/dbraw/zinc/34/25/93/380342593.db2.gz RTLQQEYQOBNYPU-UHFFFAOYSA-N 2 1 259.397 2.450 20 0 CEADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268844632 190441194 /nfs/dbraw/zinc/44/11/94/190441194.db2.gz OLJFTVMGKAHEOO-ZMSDIMECSA-N 2 1 276.424 2.115 20 0 CEADMP Cc1occc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334580024 380631441 /nfs/dbraw/zinc/63/14/41/380631441.db2.gz LTSCEYWOGBFLGL-AWEZNQCLSA-N 2 1 291.439 2.188 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC=C(C)CC2)CC1 ZINC000551268035 380640063 /nfs/dbraw/zinc/64/00/63/380640063.db2.gz MWHZMOSVJPOKPH-KRWDZBQOSA-N 2 1 279.472 2.493 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)oc1C ZINC000334979376 207405335 /nfs/dbraw/zinc/40/53/35/207405335.db2.gz FRQDPCJCJGSYAU-ZIAGYGMSSA-N 2 1 263.385 2.113 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)CC12CCOCC2 ZINC000335252638 208032520 /nfs/dbraw/zinc/03/25/20/208032520.db2.gz MARUUVMWRORYAQ-CYBMUJFWSA-N 2 1 296.361 2.152 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)CC12CCOCC2 ZINC000335252638 208032526 /nfs/dbraw/zinc/03/25/26/208032526.db2.gz MARUUVMWRORYAQ-CYBMUJFWSA-N 2 1 296.361 2.152 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CCc1cccnc1)CC[NH2+]CC2 ZINC000335275381 208081350 /nfs/dbraw/zinc/08/13/50/208081350.db2.gz BGKRXIZYSLGBHE-CQSZACIVSA-N 2 1 259.397 2.088 20 0 CEADMP CCn1nc(C)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000335309076 208158746 /nfs/dbraw/zinc/15/87/46/208158746.db2.gz QZCBHUGIFMKRDX-INIZCTEOSA-N 2 1 276.428 2.095 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000335309076 208158749 /nfs/dbraw/zinc/15/87/49/208158749.db2.gz QZCBHUGIFMKRDX-INIZCTEOSA-N 2 1 276.428 2.095 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289351954 197307814 /nfs/dbraw/zinc/30/78/14/197307814.db2.gz LEADHTSVAPBKJO-CJNGLKHVSA-N 2 1 262.397 2.101 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000289351954 197307815 /nfs/dbraw/zinc/30/78/15/197307815.db2.gz LEADHTSVAPBKJO-CJNGLKHVSA-N 2 1 262.397 2.101 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000289350921 197307281 /nfs/dbraw/zinc/30/72/81/197307281.db2.gz HFVXARXRTZJSEF-IAGOWNOFSA-N 2 1 284.407 2.227 20 0 CEADMP OC1(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000411402053 285233436 /nfs/dbraw/zinc/23/34/36/285233436.db2.gz RRNPKBHKEOSCQU-ZBFHGGJFSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000411402053 285233438 /nfs/dbraw/zinc/23/34/38/285233438.db2.gz RRNPKBHKEOSCQU-ZBFHGGJFSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000411402053 285233439 /nfs/dbraw/zinc/23/34/39/285233439.db2.gz RRNPKBHKEOSCQU-ZBFHGGJFSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000411402053 285233440 /nfs/dbraw/zinc/23/34/40/285233440.db2.gz RRNPKBHKEOSCQU-ZBFHGGJFSA-N 2 1 278.440 2.240 20 0 CEADMP COC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000247055345 285234858 /nfs/dbraw/zinc/23/48/58/285234858.db2.gz PFQOYVIFFWGBCT-OWCLPIDISA-N 2 1 286.460 2.136 20 0 CEADMP COC[C@@H]1CCCC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414756316 285260434 /nfs/dbraw/zinc/26/04/34/285260434.db2.gz JNDVCGPWPFVGTH-SOUVJXGZSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000281243832 195165051 /nfs/dbraw/zinc/16/50/51/195165051.db2.gz GITLTQSKVMRHCH-IRXDYDNUSA-N 2 1 274.408 2.062 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000281243832 195165053 /nfs/dbraw/zinc/16/50/53/195165053.db2.gz GITLTQSKVMRHCH-IRXDYDNUSA-N 2 1 274.408 2.062 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281320646 195196477 /nfs/dbraw/zinc/19/64/77/195196477.db2.gz SMMXOBNLMNBXLY-OAHLLOKOSA-N 2 1 274.343 2.467 20 0 CEADMP COC(=O)c1cccc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000281435903 195240604 /nfs/dbraw/zinc/24/06/04/195240604.db2.gz ZWJLSSTUTVHMLH-UHFFFAOYSA-N 2 1 290.407 2.391 20 0 CEADMP COC(=O)c1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000281435903 195240607 /nfs/dbraw/zinc/24/06/07/195240607.db2.gz ZWJLSSTUTVHMLH-UHFFFAOYSA-N 2 1 290.407 2.391 20 0 CEADMP O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000361986507 285339148 /nfs/dbraw/zinc/33/91/48/285339148.db2.gz POMLIXQTAABMRK-BHNDVYRESA-N 2 1 298.430 2.061 20 0 CEADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000361986507 285339150 /nfs/dbraw/zinc/33/91/50/285339150.db2.gz POMLIXQTAABMRK-BHNDVYRESA-N 2 1 298.430 2.061 20 0 CEADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000361986507 285339151 /nfs/dbraw/zinc/33/91/51/285339151.db2.gz POMLIXQTAABMRK-BHNDVYRESA-N 2 1 298.430 2.061 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)o1 ZINC000415058666 292011031 /nfs/dbraw/zinc/01/10/31/292011031.db2.gz VXJJBQCMUJZONC-GXTWGEPZSA-N 2 1 292.379 2.030 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)o1 ZINC000415058666 292011032 /nfs/dbraw/zinc/01/10/32/292011032.db2.gz VXJJBQCMUJZONC-GXTWGEPZSA-N 2 1 292.379 2.030 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccnc2ccccc12 ZINC000216073418 394451138 /nfs/dbraw/zinc/45/11/38/394451138.db2.gz LMKRYYWZSVNBLU-CHWSQXEVSA-N 2 1 255.365 2.404 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCCC[C@H]2C[NH3+])c1C ZINC000019844465 394470590 /nfs/dbraw/zinc/47/05/90/394470590.db2.gz BRUOVCGXMQAKJL-ZDUSSCGKSA-N 2 1 263.385 2.020 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000037051842 394496108 /nfs/dbraw/zinc/49/61/08/394496108.db2.gz DMOSKPZZRFISCF-HNNXBMFYSA-N 2 1 276.428 2.260 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000037901367 394497957 /nfs/dbraw/zinc/49/79/57/394497957.db2.gz UGJWTUVNWGMICV-HNNXBMFYSA-N 2 1 283.460 2.275 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305743805 394510412 /nfs/dbraw/zinc/51/04/12/394510412.db2.gz UCWYZZVXEGARGH-QWHCGFSZSA-N 2 1 294.361 2.106 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305743805 394510414 /nfs/dbraw/zinc/51/04/14/394510414.db2.gz UCWYZZVXEGARGH-QWHCGFSZSA-N 2 1 294.361 2.106 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000356319620 394575241 /nfs/dbraw/zinc/57/52/41/394575241.db2.gz ZPVDYPDKSGLECZ-WMLDXEAASA-N 2 1 295.471 2.097 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000070171809 394586009 /nfs/dbraw/zinc/58/60/09/394586009.db2.gz ZDCRUBDXNMDMGD-SWLSCSKDSA-N 2 1 275.396 2.204 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)CCO1 ZINC000070345372 394587032 /nfs/dbraw/zinc/58/70/32/394587032.db2.gz ARPSPKDOZVOPDG-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1cnc([C@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000356967930 394666268 /nfs/dbraw/zinc/66/62/68/394666268.db2.gz ABLLKRLOLSHOGB-AWEZNQCLSA-N 2 1 293.411 2.088 20 0 CEADMP CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1F ZINC000259002437 394599977 /nfs/dbraw/zinc/59/99/77/394599977.db2.gz NFQYNPSNZBPHBX-OLZOCXBDSA-N 2 1 252.333 2.194 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C)C2(OC)CCCC2)CC1 ZINC000421822548 394605413 /nfs/dbraw/zinc/60/54/13/394605413.db2.gz AUWDANBTVHCDRQ-AWEZNQCLSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@@H](NC[C@H](C)[N@@H+]1CCc2sccc2C1)[C@H]1CCC[NH2+]1 ZINC000422710259 394732939 /nfs/dbraw/zinc/73/29/39/394732939.db2.gz FNFJKMBGSDGZIF-GZBFAFLISA-N 2 1 293.480 2.225 20 0 CEADMP C[C@@H](NC[C@H](C)[N@H+]1CCc2sccc2C1)[C@H]1CCC[NH2+]1 ZINC000422710259 394732942 /nfs/dbraw/zinc/73/29/42/394732942.db2.gz FNFJKMBGSDGZIF-GZBFAFLISA-N 2 1 293.480 2.225 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422712768 394734214 /nfs/dbraw/zinc/73/42/14/394734214.db2.gz OQLYJLDYSZABBC-CABCVRRESA-N 3 1 255.450 2.216 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000422715486 394735909 /nfs/dbraw/zinc/73/59/09/394735909.db2.gz MINBFQNMILDKFL-HIFRSBDPSA-N 2 1 279.403 2.240 20 0 CEADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000414229257 394735912 /nfs/dbraw/zinc/73/59/12/394735912.db2.gz ZTEKDBFDEGJHEV-JFOHDYCDSA-N 2 1 274.408 2.371 20 0 CEADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000414229257 394735916 /nfs/dbraw/zinc/73/59/16/394735916.db2.gz ZTEKDBFDEGJHEV-JFOHDYCDSA-N 2 1 274.408 2.371 20 0 CEADMP Cc1sc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])nc1C(C)C ZINC000422714861 394736164 /nfs/dbraw/zinc/73/61/64/394736164.db2.gz RLTCPZUZILQSGS-KGYLQXTDSA-N 2 1 297.468 2.417 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422715499 394736413 /nfs/dbraw/zinc/73/64/13/394736413.db2.gz MJMDQSNJGYKQSS-SJLPKXTDSA-N 3 1 289.467 2.268 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000422715499 394736415 /nfs/dbraw/zinc/73/64/15/394736415.db2.gz MJMDQSNJGYKQSS-SJLPKXTDSA-N 2 1 289.467 2.268 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000422719248 394739189 /nfs/dbraw/zinc/73/91/89/394739189.db2.gz XZLHINAKFNOQTB-YXQSOJMXSA-N 2 1 262.401 2.398 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)[C@@H](C)O1 ZINC000414278140 394741038 /nfs/dbraw/zinc/74/10/38/394741038.db2.gz HPFRXJHJOBEPBG-RBTXIFOQSA-N 2 1 254.418 2.118 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000414705752 394749294 /nfs/dbraw/zinc/74/92/94/394749294.db2.gz LWSIMAZGCVLXMJ-MRXNPFEDSA-N 3 1 269.477 2.414 20 0 CEADMP COc1ccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000422726030 394742467 /nfs/dbraw/zinc/74/24/67/394742467.db2.gz YYZZYPKLBMXFIU-DZGCQCFKSA-N 2 1 292.423 2.224 20 0 CEADMP COc1cccc([C@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+](C)C)c1 ZINC000422733331 394746225 /nfs/dbraw/zinc/74/62/25/394746225.db2.gz QTSBBFCZBHGEGX-XEZPLFJOSA-N 2 1 279.428 2.013 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414111052 394705140 /nfs/dbraw/zinc/70/51/40/394705140.db2.gz ISMASIJYGVRJIK-MXSMSXNCSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414111052 394705142 /nfs/dbraw/zinc/70/51/42/394705142.db2.gz ISMASIJYGVRJIK-MXSMSXNCSA-N 2 1 288.435 2.258 20 0 CEADMP c1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc(C2CC2)c1 ZINC000422554559 394709120 /nfs/dbraw/zinc/70/91/20/394709120.db2.gz MPQRITLLPLOVNV-INIZCTEOSA-N 2 1 260.381 2.032 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414127655 394710192 /nfs/dbraw/zinc/71/01/92/394710192.db2.gz SIJMIXZEMNTZPL-NUEKZKHPSA-N 2 1 296.842 2.488 20 0 CEADMP CC(C)C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccs1 ZINC000358227208 394712612 /nfs/dbraw/zinc/71/26/12/394712612.db2.gz AKZMSVIUZNGMKY-HIFRSBDPSA-N 2 1 282.453 2.492 20 0 CEADMP CC(C)C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccs1 ZINC000358227208 394712617 /nfs/dbraw/zinc/71/26/17/394712617.db2.gz AKZMSVIUZNGMKY-HIFRSBDPSA-N 2 1 282.453 2.492 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cn1 ZINC000422565383 394713828 /nfs/dbraw/zinc/71/38/28/394713828.db2.gz YVLYPQOPJFJHII-YCPHGPKFSA-N 2 1 290.455 2.343 20 0 CEADMP C([NH2+]C1CCCCCC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839565 394747221 /nfs/dbraw/zinc/74/72/21/394747221.db2.gz YVQCSVVPUNZWPP-CABCVRRESA-N 2 1 252.402 2.162 20 0 CEADMP C([NH2+]C1CCCCCC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112839565 394747225 /nfs/dbraw/zinc/74/72/25/394747225.db2.gz YVQCSVVPUNZWPP-CABCVRRESA-N 2 1 252.402 2.162 20 0 CEADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358261854 394714011 /nfs/dbraw/zinc/71/40/11/394714011.db2.gz ZTBBAKDEKKKYLB-RCCFBDPRSA-N 2 1 288.435 2.287 20 0 CEADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358261854 394714014 /nfs/dbraw/zinc/71/40/14/394714014.db2.gz ZTBBAKDEKKKYLB-RCCFBDPRSA-N 2 1 288.435 2.287 20 0 CEADMP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000269252737 394714804 /nfs/dbraw/zinc/71/48/04/394714804.db2.gz ZXUKWKRFYLGIGP-MRXNPFEDSA-N 2 1 291.439 2.126 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414691608 394747835 /nfs/dbraw/zinc/74/78/35/394747835.db2.gz JWMGBSZRSJWLEQ-ARFHVFGLSA-N 2 1 295.471 2.003 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414691609 394747904 /nfs/dbraw/zinc/74/79/04/394747904.db2.gz JWMGBSZRSJWLEQ-BZUAXINKSA-N 2 1 295.471 2.003 20 0 CEADMP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422686432 394723604 /nfs/dbraw/zinc/72/36/04/394723604.db2.gz ADSGRVSDROWILT-UWVGGRQHSA-N 2 1 252.333 2.093 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422742549 394753138 /nfs/dbraw/zinc/75/31/38/394753138.db2.gz QIEYGMRJLUJCFO-BPQIPLTHSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422742637 394753420 /nfs/dbraw/zinc/75/34/20/394753420.db2.gz SEWYVMQWQXRAKW-LALPHHSUSA-N 2 1 250.361 2.487 20 0 CEADMP CC[C@@H](NC[C@@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000422744464 394754742 /nfs/dbraw/zinc/75/47/42/394754742.db2.gz SYVNMZMXKILFKN-XHSDSOJGSA-N 2 1 267.461 2.227 20 0 CEADMP C[N@@H+](CCN[C@@H]1CCCCC[C@H]1[NH3+])C1CCCC1 ZINC000422746772 394755455 /nfs/dbraw/zinc/75/54/55/394755455.db2.gz XINXMNUWTJFSBE-HUUCEWRRSA-N 2 1 253.434 2.110 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000422747680 394756383 /nfs/dbraw/zinc/75/63/83/394756383.db2.gz ZIENGEUVKUDTFJ-ZDUSSCGKSA-N 3 1 276.428 2.267 20 0 CEADMP COc1ccccc1[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000422748154 394756392 /nfs/dbraw/zinc/75/63/92/394756392.db2.gz SGVGMJNYKVIFHT-BPUTZDHNSA-N 2 1 291.439 2.028 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2(COC)CCC2)C1 ZINC000361307591 394822426 /nfs/dbraw/zinc/82/24/26/394822426.db2.gz HDVWLFMGQOBWJA-OAHLLOKOSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2(COC)CCC2)C1 ZINC000361307591 394822429 /nfs/dbraw/zinc/82/24/29/394822429.db2.gz HDVWLFMGQOBWJA-OAHLLOKOSA-N 2 1 268.445 2.467 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422750488 394758489 /nfs/dbraw/zinc/75/84/89/394758489.db2.gz BBVFVEWPRRQWDE-LJISPDSOSA-N 2 1 267.461 2.212 20 0 CEADMP [NH3+]C[C@H]([NH2+]C1CCN(CC(F)F)CC1)C1CCCCC1 ZINC000414833434 394760356 /nfs/dbraw/zinc/76/03/56/394760356.db2.gz FRLZALXWDHFSEC-AWEZNQCLSA-N 2 1 289.414 2.213 20 0 CEADMP C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422761585 394765105 /nfs/dbraw/zinc/76/51/05/394765105.db2.gz MYLXDRYAHQTFFP-JLJPHGGASA-N 2 1 294.414 2.097 20 0 CEADMP C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422761587 394765938 /nfs/dbraw/zinc/76/59/38/394765938.db2.gz MYLXDRYAHQTFFP-LXZKKBNFSA-N 2 1 294.414 2.097 20 0 CEADMP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC000335439680 394766821 /nfs/dbraw/zinc/76/68/21/394766821.db2.gz NZCIEAKBJFYNDR-HZPDHXFCSA-N 2 1 260.356 2.498 20 0 CEADMP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC000335439680 394766827 /nfs/dbraw/zinc/76/68/27/394766827.db2.gz NZCIEAKBJFYNDR-HZPDHXFCSA-N 2 1 260.356 2.498 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1nc2ccc(OC)cc2s1 ZINC000414845299 394766871 /nfs/dbraw/zinc/76/68/71/394766871.db2.gz SCQYLRSAZFJYLM-SNVBAGLBSA-N 2 1 279.409 2.250 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000414845307 394767035 /nfs/dbraw/zinc/76/70/35/394767035.db2.gz SDKWTZMWZYGTEN-ZDUSSCGKSA-N 2 1 286.423 2.434 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000359658978 394768998 /nfs/dbraw/zinc/76/89/98/394768998.db2.gz FTZRXSLCVLVVQP-SNPRPXQTSA-N 2 1 281.469 2.281 20 0 CEADMP CCc1ncc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000414848284 394769656 /nfs/dbraw/zinc/76/96/56/394769656.db2.gz GIJLEQJBUVQRFR-MNOVXSKESA-N 2 1 253.415 2.183 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1c(Cl)cnn1C)CC[NH2+]CC2 ZINC000335543479 394773874 /nfs/dbraw/zinc/77/38/74/394773874.db2.gz LQAKZIIWIHUYMK-NSHDSACASA-N 2 1 282.819 2.038 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)N1CCC(C)CC1 ZINC000422776473 394776435 /nfs/dbraw/zinc/77/64/35/394776435.db2.gz DRJHTIIQKDIIIK-OAGGEKHMSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414862726 394777113 /nfs/dbraw/zinc/77/71/13/394777113.db2.gz HNZCQUVSYYJYQD-IUODEOHRSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1F)[C@H]1CCC[NH2+]1 ZINC000422782637 394781803 /nfs/dbraw/zinc/78/18/03/394781803.db2.gz GTSVPJSHMBJWFO-OUCADQQQSA-N 2 1 266.360 2.323 20 0 CEADMP C[C@H](NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422784592 394782950 /nfs/dbraw/zinc/78/29/50/394782950.db2.gz PXAWVSTZJNQFCB-YJBOKZPZSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)C1C[NH2+]C1 ZINC000422784592 394782953 /nfs/dbraw/zinc/78/29/53/394782953.db2.gz PXAWVSTZJNQFCB-YJBOKZPZSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000414875561 394783451 /nfs/dbraw/zinc/78/34/51/394783451.db2.gz JXKALTHVLMTTQB-LLVKDONJSA-N 2 1 261.394 2.495 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422787189 394786044 /nfs/dbraw/zinc/78/60/44/394786044.db2.gz RHVUHBSTNANXSX-MNOVXSKESA-N 2 1 289.210 2.270 20 0 CEADMP [NH3+]C1CCC([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000422789193 394787232 /nfs/dbraw/zinc/78/72/32/394787232.db2.gz BHDOEPHUCXGAGB-UYSNPLJNSA-N 3 1 265.445 2.110 20 0 CEADMP [NH3+]C1CCC([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000422789193 394787236 /nfs/dbraw/zinc/78/72/36/394787236.db2.gz BHDOEPHUCXGAGB-UYSNPLJNSA-N 3 1 265.445 2.110 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000422791962 394788879 /nfs/dbraw/zinc/78/88/79/394788879.db2.gz YWWDSCAKGSTYPM-DOMZBBRYSA-N 2 1 266.360 2.182 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCCC[C@@H]2N)CC1 ZINC000422793630 394791698 /nfs/dbraw/zinc/79/16/98/394791698.db2.gz XFBYNDOIYNGYOV-JKSUJKDBSA-N 2 1 267.461 2.358 20 0 CEADMP CC(C)Cn1ccnc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422794216 394791703 /nfs/dbraw/zinc/79/17/03/394791703.db2.gz YVOVLVOGUHBTNE-UONOGXRCSA-N 2 1 264.417 2.146 20 0 CEADMP CSc1ccc(F)cc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422805252 394799662 /nfs/dbraw/zinc/79/96/62/394799662.db2.gz IZQBXWPWAUYEAV-SECBINFHSA-N 2 1 254.374 2.245 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@H](C)CCCC[NH3+])[nH]c2c1 ZINC000422806662 394799755 /nfs/dbraw/zinc/79/97/55/394799755.db2.gz IUIHJBFAOSPGOJ-GFCCVEGCSA-N 2 1 260.385 2.478 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000422810964 394802998 /nfs/dbraw/zinc/80/29/98/394802998.db2.gz SQIOURMFYHXOIH-CRAIPNDOSA-N 2 1 287.451 2.022 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000422810970 394803204 /nfs/dbraw/zinc/80/32/04/394803204.db2.gz SQIOURMFYHXOIH-YJBOKZPZSA-N 2 1 287.451 2.022 20 0 CEADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000414926800 394807738 /nfs/dbraw/zinc/80/77/38/394807738.db2.gz KZBNGKOGFAARHE-CHWSQXEVSA-N 2 1 277.412 2.464 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414930579 394808425 /nfs/dbraw/zinc/80/84/25/394808425.db2.gz QBTSKVLDJDGFLJ-NWDGAFQWSA-N 2 1 297.830 2.014 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414933990 394809372 /nfs/dbraw/zinc/80/93/72/394809372.db2.gz ACTVHCWMRZDJAL-CXAGYDPISA-N 2 1 284.407 2.268 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422817946 394809592 /nfs/dbraw/zinc/80/95/92/394809592.db2.gz IUNKRAWRQYPAFK-GOEBONIOSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@H](C[NH3+])NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414937810 394811594 /nfs/dbraw/zinc/81/15/94/394811594.db2.gz XIKSZEWLQBEINK-CQSZACIVSA-N 2 1 263.429 2.081 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000422825435 394813518 /nfs/dbraw/zinc/81/35/18/394813518.db2.gz AIMOCZJPBNHPTC-PBHICJAKSA-N 2 1 298.434 2.196 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)C[NH+]1CCCCC1 ZINC000422825671 394814130 /nfs/dbraw/zinc/81/41/30/394814130.db2.gz AOIOCYZTEHTICC-KBPBESRZSA-N 2 1 290.455 2.374 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC[NH2+]1 ZINC000414943874 394815705 /nfs/dbraw/zinc/81/57/05/394815705.db2.gz FWIQOJHWLISIQS-DOMZBBRYSA-N 2 1 288.370 2.242 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[NH2+]1 ZINC000414949147 394818905 /nfs/dbraw/zinc/81/89/05/394818905.db2.gz NCJOKLRNXZIRKT-JQWIXIFHSA-N 2 1 296.798 2.341 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000414950118 394819276 /nfs/dbraw/zinc/81/92/76/394819276.db2.gz FUSWWMBXKLQHBZ-WCQYABFASA-N 2 1 288.420 2.293 20 0 CEADMP COC[C@@]1(C[NH2+][C@@H](C)Cc2ccccc2F)CCC[NH2+]1 ZINC000414951445 394820632 /nfs/dbraw/zinc/82/06/32/394820632.db2.gz GXOYWSBWJLBXFQ-BBRMVZONSA-N 2 1 280.387 2.115 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000422837628 394821002 /nfs/dbraw/zinc/82/10/02/394821002.db2.gz MOTXMRNAYVANJE-NCOADZHNSA-N 2 1 281.488 2.475 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422738671 394749801 /nfs/dbraw/zinc/74/98/01/394749801.db2.gz KCMILRKGLBHBQD-BZUAXINKSA-N 2 1 267.461 2.371 20 0 CEADMP COCCOc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000415051467 394864669 /nfs/dbraw/zinc/86/46/69/394864669.db2.gz FQWKCMWGWLVJTJ-RHSMWYFYSA-N 2 1 292.423 2.129 20 0 CEADMP C[N@@H+](Cc1ccc(-c2ccccc2F)s1)C[C@@H](O)C[NH3+] ZINC000415053507 394865972 /nfs/dbraw/zinc/86/59/72/394865972.db2.gz KDDGHDWGUXBHGD-NSHDSACASA-N 2 1 294.395 2.306 20 0 CEADMP C[N@H+](Cc1ccc(-c2ccccc2F)s1)C[C@@H](O)C[NH3+] ZINC000415053507 394865975 /nfs/dbraw/zinc/86/59/75/394865975.db2.gz KDDGHDWGUXBHGD-NSHDSACASA-N 2 1 294.395 2.306 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000362699086 394866932 /nfs/dbraw/zinc/86/69/32/394866932.db2.gz SJWXVEVQWSETTQ-RISCZKNCSA-N 2 1 284.363 2.213 20 0 CEADMP Cc1cccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415055923 394867188 /nfs/dbraw/zinc/86/71/88/394867188.db2.gz PKTXLVCCNBDXBD-UHFFFAOYSA-N 2 1 287.451 2.301 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH2+][C@H](C[NH3+])C2CCCC2)CCO1 ZINC000415064579 394870840 /nfs/dbraw/zinc/87/08/40/394870840.db2.gz LBJQMBGALNNRAB-NWANDNLSSA-N 2 1 254.418 2.299 20 0 CEADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[NH2+]C1 ZINC000415066706 394871773 /nfs/dbraw/zinc/87/17/73/394871773.db2.gz AMYGBFFWRDOBSI-PWSUYJOCSA-N 2 1 283.213 2.332 20 0 CEADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415073901 394876093 /nfs/dbraw/zinc/87/60/93/394876093.db2.gz ZCRNTSIEBGZSJZ-YOEHRIQHSA-N 2 1 292.467 2.414 20 0 CEADMP CCCC[NH+]1CCC(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000130019729 394879616 /nfs/dbraw/zinc/87/96/16/394879616.db2.gz QWFXJEBWEIARTH-GOEBONIOSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000423010213 394879935 /nfs/dbraw/zinc/87/99/35/394879935.db2.gz FWEDKJQAXAONRQ-CXAGYDPISA-N 2 1 258.409 2.379 20 0 CEADMP Clc1ccccc1C1(C[NH2+][C@H]2CC[NH2+]C2)CCOCC1 ZINC000415084059 394881341 /nfs/dbraw/zinc/88/13/41/394881341.db2.gz QUCPFBVWGJLKBG-ZDUSSCGKSA-N 2 1 294.826 2.340 20 0 CEADMP Cn1nccc1C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000361405673 394826638 /nfs/dbraw/zinc/82/66/38/394826638.db2.gz RMPAGGMDWHWCKE-NVXWUHKLSA-N 2 1 284.407 2.203 20 0 CEADMP Cn1nccc1C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000361405673 394826640 /nfs/dbraw/zinc/82/66/40/394826640.db2.gz RMPAGGMDWHWCKE-NVXWUHKLSA-N 2 1 284.407 2.203 20 0 CEADMP Cn1nccc1C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000361405675 394827215 /nfs/dbraw/zinc/82/72/15/394827215.db2.gz RMPAGGMDWHWCKE-WBVHZDCISA-N 2 1 284.407 2.203 20 0 CEADMP Cn1nccc1C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000361405675 394827218 /nfs/dbraw/zinc/82/72/18/394827218.db2.gz RMPAGGMDWHWCKE-WBVHZDCISA-N 2 1 284.407 2.203 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414962820 394827297 /nfs/dbraw/zinc/82/72/97/394827297.db2.gz ZZZSJCIZSHGPGF-XJKSGUPXSA-N 2 1 284.407 2.411 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414962261 394827475 /nfs/dbraw/zinc/82/74/75/394827475.db2.gz BZCQIMJJRLQKQS-LBPRGKRZSA-N 2 1 298.333 2.486 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422855861 394831556 /nfs/dbraw/zinc/83/15/56/394831556.db2.gz FMSIRXXFWUVDFM-QBPKDAKJSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@@H]1CCCN(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422855861 394831559 /nfs/dbraw/zinc/83/15/59/394831559.db2.gz FMSIRXXFWUVDFM-QBPKDAKJSA-N 2 1 279.472 2.229 20 0 CEADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)CCC2 ZINC000361663311 394833812 /nfs/dbraw/zinc/83/38/12/394833812.db2.gz TXISOJDNOUURSI-DMRZNYOFSA-N 2 1 290.455 2.387 20 0 CEADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422876398 394843074 /nfs/dbraw/zinc/84/30/74/394843074.db2.gz FNVQJRMKCDEXTB-KWJBXHGQSA-N 3 1 281.488 2.460 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422876398 394843076 /nfs/dbraw/zinc/84/30/76/394843076.db2.gz FNVQJRMKCDEXTB-KWJBXHGQSA-N 3 1 281.488 2.460 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422874832 394843950 /nfs/dbraw/zinc/84/39/50/394843950.db2.gz DIDNJKTWRJJOAO-XHSDSOJGSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422874832 394843952 /nfs/dbraw/zinc/84/39/52/394843952.db2.gz DIDNJKTWRJJOAO-XHSDSOJGSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422874832 394843953 /nfs/dbraw/zinc/84/39/53/394843953.db2.gz DIDNJKTWRJJOAO-XHSDSOJGSA-N 2 1 267.461 2.229 20 0 CEADMP CC[N@@H+](CCN[C@H]1C[C@@H]([NH3+])c2ccccc21)C(C)C ZINC000422880535 394847111 /nfs/dbraw/zinc/84/71/11/394847111.db2.gz OHAXJCKTZIWGPF-CVEARBPZSA-N 2 1 261.413 2.451 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422883655 394847967 /nfs/dbraw/zinc/84/79/67/394847967.db2.gz VISXBSSFTAEHIN-GJZGRUSLSA-N 2 1 274.412 2.041 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422885013 394849099 /nfs/dbraw/zinc/84/90/99/394849099.db2.gz SYWLHJVVDMSGEP-TWMKSMIVSA-N 2 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422885013 394849102 /nfs/dbraw/zinc/84/91/02/394849102.db2.gz SYWLHJVVDMSGEP-TWMKSMIVSA-N 3 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422885013 394849103 /nfs/dbraw/zinc/84/91/03/394849103.db2.gz SYWLHJVVDMSGEP-TWMKSMIVSA-N 3 1 281.488 2.332 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000415016831 394850280 /nfs/dbraw/zinc/85/02/80/394850280.db2.gz DEUKHTYHVDRXEZ-INIZCTEOSA-N 3 1 289.467 2.411 20 0 CEADMP COCCC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCCC1 ZINC000422889639 394851940 /nfs/dbraw/zinc/85/19/40/394851940.db2.gz QAHCOUUZQLOQRL-UONOGXRCSA-N 2 1 254.418 2.171 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)C1C[NH2+]C1 ZINC000422889505 394851944 /nfs/dbraw/zinc/85/19/44/394851944.db2.gz GHMISGSXQNQKFJ-CQSZACIVSA-N 2 1 288.439 2.160 20 0 CEADMP COc1cc(Cl)ccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422891922 394852935 /nfs/dbraw/zinc/85/29/35/394852935.db2.gz WVUCROWJHFJMLQ-SECBINFHSA-N 2 1 254.761 2.046 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000128421757 394853984 /nfs/dbraw/zinc/85/39/84/394853984.db2.gz MVTSPZKWYQWRGR-GJZGRUSLSA-N 2 1 283.460 2.083 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000128421757 394853988 /nfs/dbraw/zinc/85/39/88/394853988.db2.gz MVTSPZKWYQWRGR-GJZGRUSLSA-N 2 1 283.460 2.083 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CC[N@@H+]1C ZINC000128140818 394853994 /nfs/dbraw/zinc/85/39/94/394853994.db2.gz CKUQLMXDOWRKIU-KBUPBQIOSA-N 2 1 284.469 2.113 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CC[N@H+]1C ZINC000128140818 394853998 /nfs/dbraw/zinc/85/39/98/394853998.db2.gz CKUQLMXDOWRKIU-KBUPBQIOSA-N 2 1 284.469 2.113 20 0 CEADMP CCc1nc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)cs1 ZINC000422905454 394857539 /nfs/dbraw/zinc/85/75/39/394857539.db2.gz SEHZYMMWLLKAPG-JTQLQIEISA-N 2 1 276.409 2.406 20 0 CEADMP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1Cl ZINC000415035923 394857786 /nfs/dbraw/zinc/85/77/86/394857786.db2.gz JHZUEVIDAAKMAF-ZDUSSCGKSA-N 2 1 268.788 2.117 20 0 CEADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]C[C@H]2CCSC2)cc1 ZINC000415037136 394858510 /nfs/dbraw/zinc/85/85/10/394858510.db2.gz GIBXGHAUFKHGHR-VHDGCEQUSA-N 2 1 262.422 2.085 20 0 CEADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1O ZINC000415041794 394860607 /nfs/dbraw/zinc/86/06/07/394860607.db2.gz LRXGNVOEQYSSBL-LSDHHAIUSA-N 2 1 290.407 2.365 20 0 CEADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1O ZINC000415041794 394860609 /nfs/dbraw/zinc/86/06/09/394860609.db2.gz LRXGNVOEQYSSBL-LSDHHAIUSA-N 2 1 290.407 2.365 20 0 CEADMP CCOCCC1(C[NH2+][C@@H]2CCC[NH2+]C2)CCCC1 ZINC000415092959 394886943 /nfs/dbraw/zinc/88/69/43/394886943.db2.gz UMIVRMQLGHTSTN-CQSZACIVSA-N 2 1 254.418 2.315 20 0 CEADMP C[C@H]1C[C@@H](CN2CC[N@@H+](C)Cc3ccccc32)CC[NH2+]1 ZINC000415092444 394887200 /nfs/dbraw/zinc/88/72/00/394887200.db2.gz ANBZUMGWXLUIAJ-GJZGRUSLSA-N 2 1 273.424 2.327 20 0 CEADMP C[C@H](C[NH3+])N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423342830 394891989 /nfs/dbraw/zinc/89/19/89/394891989.db2.gz YZAXPUDZWAVTHJ-MXASKKJJSA-N 2 1 273.424 2.119 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)o1 ZINC000415125466 394897510 /nfs/dbraw/zinc/89/75/10/394897510.db2.gz LGDOINUWFIZAAT-DGCLKSJQSA-N 2 1 288.395 2.395 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423356330 394898765 /nfs/dbraw/zinc/89/87/65/394898765.db2.gz GNNDTYQTPOVLLJ-BGTYHANMSA-N 2 1 287.451 2.410 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1cn(C)nc1-c1ccccc1 ZINC000415127378 394899111 /nfs/dbraw/zinc/89/91/11/394899111.db2.gz HWMCCKFWNOZQCC-UHFFFAOYSA-N 2 1 272.396 2.128 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1cn(C)nc1-c1ccccc1 ZINC000415127378 394899116 /nfs/dbraw/zinc/89/91/16/394899116.db2.gz HWMCCKFWNOZQCC-UHFFFAOYSA-N 2 1 272.396 2.128 20 0 CEADMP CCc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415126276 394899244 /nfs/dbraw/zinc/89/92/44/394899244.db2.gz LWWHGOQMEBCUDP-QGZVFWFLSA-N 2 1 299.422 2.136 20 0 CEADMP CC(C)[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H](C)[NH3+] ZINC000423355730 394899398 /nfs/dbraw/zinc/89/93/98/394899398.db2.gz FZPVGRSOTSVPQE-RBSFLKMASA-N 2 1 297.487 2.233 20 0 CEADMP COc1cccc(OCCC[NH2+]CC[NH2+]C(C)(C)C)c1 ZINC000415129513 394899808 /nfs/dbraw/zinc/89/98/08/394899808.db2.gz ZDWMRPPXEIIPEY-UHFFFAOYSA-N 2 1 280.412 2.442 20 0 CEADMP COCCOc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000415131013 394900254 /nfs/dbraw/zinc/90/02/54/394900254.db2.gz RRNXOGLKSOIYPA-GOEBONIOSA-N 2 1 292.423 2.129 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423368318 394903569 /nfs/dbraw/zinc/90/35/69/394903569.db2.gz ZLXWJMJEOGFSQM-JQHSSLGASA-N 2 1 287.451 2.239 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c(OC)c1 ZINC000423400068 394915971 /nfs/dbraw/zinc/91/59/71/394915971.db2.gz WJPODSQYECVWDL-AGIUHOORSA-N 2 1 278.396 2.495 20 0 CEADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@]2(COC)CCC[NH2+]2)C1(C)C ZINC000423422857 394919277 /nfs/dbraw/zinc/91/92/77/394919277.db2.gz ZIERLIZYOVZLJE-BFYDXBDKSA-N 2 1 298.471 2.328 20 0 CEADMP Cc1ncccc1O[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000365228590 394922624 /nfs/dbraw/zinc/92/26/24/394922624.db2.gz OHRDXUOZLUVWKC-HZPDHXFCSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ncccc1O[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000365228590 394922626 /nfs/dbraw/zinc/92/26/26/394922626.db2.gz OHRDXUOZLUVWKC-HZPDHXFCSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ncccc1O[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000365228590 394922628 /nfs/dbraw/zinc/92/26/28/394922628.db2.gz OHRDXUOZLUVWKC-HZPDHXFCSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ncccc1O[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000365228590 394922629 /nfs/dbraw/zinc/92/26/29/394922629.db2.gz OHRDXUOZLUVWKC-HZPDHXFCSA-N 2 1 289.423 2.327 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccncc1F ZINC000423486502 394932165 /nfs/dbraw/zinc/93/21/65/394932165.db2.gz ULARXIWFZRLOGL-NXEZZACHSA-N 2 1 273.302 2.116 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cs1 ZINC000423492258 394934691 /nfs/dbraw/zinc/93/46/91/394934691.db2.gz MKQPWXGYPJHIGA-DGCLKSJQSA-N 2 1 254.399 2.086 20 0 CEADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423493742 394935072 /nfs/dbraw/zinc/93/50/72/394935072.db2.gz QZUYGVFPGNCZGM-IIYDPXPESA-N 2 1 292.398 2.417 20 0 CEADMP CC[C@H](C)[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423501357 394937112 /nfs/dbraw/zinc/93/71/12/394937112.db2.gz CROKPGWFZDSZGQ-FXQLRMTLSA-N 2 1 267.461 2.227 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423509525 394941164 /nfs/dbraw/zinc/94/11/64/394941164.db2.gz RMZLGHHUKZVQAP-KKUMJFAQSA-N 2 1 254.418 2.299 20 0 CEADMP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CCCCC1 ZINC000423527237 394945748 /nfs/dbraw/zinc/94/57/48/394945748.db2.gz VNUHWKINKLPXRR-CVEARBPZSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371304156 395027229 /nfs/dbraw/zinc/02/72/29/395027229.db2.gz ROUGAJZFOREVLZ-CVEARBPZSA-N 2 1 281.488 2.380 20 0 CEADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369020638 394995053 /nfs/dbraw/zinc/99/50/53/394995053.db2.gz ZOHHPBHDIWSFCA-YLFCFFPRSA-N 2 1 278.440 2.432 20 0 CEADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369020638 394995057 /nfs/dbraw/zinc/99/50/57/394995057.db2.gz ZOHHPBHDIWSFCA-YLFCFFPRSA-N 2 1 278.440 2.432 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cn2c(n1)CCCC2 ZINC000152772641 394998291 /nfs/dbraw/zinc/99/82/91/394998291.db2.gz YSNGMEPISQQVDD-IJEWVQPXSA-N 2 1 290.455 2.080 20 0 CEADMP Cc1cc(C)n2c(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)cnc2n1 ZINC000370896195 395021314 /nfs/dbraw/zinc/02/13/14/395021314.db2.gz XKBWVYYCQZSNOK-GJZGRUSLSA-N 2 1 299.422 2.063 20 0 CEADMP Cc1cc(C)n2c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cnc2n1 ZINC000370896195 395021318 /nfs/dbraw/zinc/02/13/18/395021318.db2.gz XKBWVYYCQZSNOK-GJZGRUSLSA-N 2 1 299.422 2.063 20 0 CEADMP Cc1cc(C)n2c(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cnc2n1 ZINC000370896195 395021320 /nfs/dbraw/zinc/02/13/20/395021320.db2.gz XKBWVYYCQZSNOK-GJZGRUSLSA-N 2 1 299.422 2.063 20 0 CEADMP CC[C@]1(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000134569845 394958123 /nfs/dbraw/zinc/95/81/23/394958123.db2.gz CHLMLPUUEPQEKS-HLLBOEOZSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOC(C)(C)C)C2)C1 ZINC000339429218 394959351 /nfs/dbraw/zinc/95/93/51/394959351.db2.gz QGURRRUDJJZLAS-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOC(C)(C)C)C2)C1 ZINC000339429218 394959354 /nfs/dbraw/zinc/95/93/54/394959354.db2.gz QGURRRUDJJZLAS-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOC(C)(C)C)C2)C1 ZINC000339429218 394959357 /nfs/dbraw/zinc/95/93/57/394959357.db2.gz QGURRRUDJJZLAS-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP CCCCOCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339435073 394960226 /nfs/dbraw/zinc/96/02/26/394960226.db2.gz UIRHPDFFYZEHRZ-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP CO[C@H](C)C[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285818180 394968682 /nfs/dbraw/zinc/96/86/82/394968682.db2.gz WDMFTTYVEHZSCY-CYBMUJFWSA-N 2 1 254.374 2.068 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000340119175 394979588 /nfs/dbraw/zinc/97/95/88/394979588.db2.gz GXRJAGMOHNQEEK-XHSDSOJGSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343978697 395047919 /nfs/dbraw/zinc/04/79/19/395047919.db2.gz KUBBBINRWSNUNY-ZACQAIPSSA-N 2 1 277.456 2.053 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[N@@H+](C)C(C)C ZINC000344591893 395057162 /nfs/dbraw/zinc/05/71/62/395057162.db2.gz AUINFLBQNAAMQO-UHFFFAOYSA-N 2 1 294.443 2.243 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[N@H+](C)C(C)C ZINC000344591893 395057164 /nfs/dbraw/zinc/05/71/64/395057164.db2.gz AUINFLBQNAAMQO-UHFFFAOYSA-N 2 1 294.443 2.243 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C2 ZINC000425926999 395069795 /nfs/dbraw/zinc/06/97/95/395069795.db2.gz PUOZSEMXBORKMS-RDJZCZTQSA-N 2 1 288.435 2.482 20 0 CEADMP CO[C@@]1(C)C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000162418519 395074070 /nfs/dbraw/zinc/07/40/70/395074070.db2.gz GOPNHFZQPWSINS-ZBFHGGJFSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1c[nH]cn1)CC2)C1CC1 ZINC000374281327 395079042 /nfs/dbraw/zinc/07/90/42/395079042.db2.gz ASRSWFAYJCVMEM-ZDUSSCGKSA-N 2 1 274.412 2.106 20 0 CEADMP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1cnc[nH]1)CC2)C1CC1 ZINC000374281327 395079044 /nfs/dbraw/zinc/07/90/44/395079044.db2.gz ASRSWFAYJCVMEM-ZDUSSCGKSA-N 2 1 274.412 2.106 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1cnc[nH]1)CC2)C1CC1 ZINC000374281327 395079046 /nfs/dbraw/zinc/07/90/46/395079046.db2.gz ASRSWFAYJCVMEM-ZDUSSCGKSA-N 2 1 274.412 2.106 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000163045283 395079158 /nfs/dbraw/zinc/07/91/58/395079158.db2.gz CMPLMBKVUSQOAX-HNNXBMFYSA-N 2 1 287.411 2.195 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000163045283 395079160 /nfs/dbraw/zinc/07/91/60/395079160.db2.gz CMPLMBKVUSQOAX-HNNXBMFYSA-N 2 1 287.411 2.195 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2C2CC2)CC1 ZINC000374290351 395079496 /nfs/dbraw/zinc/07/94/96/395079496.db2.gz BEGASMFHUFTLLK-QGZVFWFLSA-N 2 1 279.472 2.277 20 0 CEADMP Cc1ccccc1[C@H]1C[N@@H+](CCn2ccnc2)CCO1 ZINC000163140593 395081611 /nfs/dbraw/zinc/08/16/11/395081611.db2.gz BVMOINRSAFXWRM-MRXNPFEDSA-N 2 1 271.364 2.265 20 0 CEADMP Cc1ccccc1[C@H]1CN(CCn2ccnc2)CCO1 ZINC000163140593 395081613 /nfs/dbraw/zinc/08/16/13/395081613.db2.gz BVMOINRSAFXWRM-MRXNPFEDSA-N 2 1 271.364 2.265 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000346570873 395102181 /nfs/dbraw/zinc/10/21/81/395102181.db2.gz QCFFHOWGDMDMAM-INIZCTEOSA-N 2 1 281.488 2.428 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CCO1 ZINC000163238986 395082527 /nfs/dbraw/zinc/08/25/27/395082527.db2.gz KVZUXVZVPTZUGP-KBXIAJHMSA-N 2 1 254.418 2.120 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCO1 ZINC000163238986 395082529 /nfs/dbraw/zinc/08/25/29/395082529.db2.gz KVZUXVZVPTZUGP-KBXIAJHMSA-N 2 1 254.418 2.120 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000375897052 395103377 /nfs/dbraw/zinc/10/33/77/395103377.db2.gz CUHXRRFMSBUMLR-NXOAAHMSSA-N 2 1 274.408 2.182 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428038321 395133604 /nfs/dbraw/zinc/13/36/04/395133604.db2.gz XNOUHSZBWSKTAP-JKSUJKDBSA-N 2 1 274.408 2.448 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428030968 395132479 /nfs/dbraw/zinc/13/24/79/395132479.db2.gz GBBTWOZEAIAGBF-QXSJWSMHSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428030968 395132483 /nfs/dbraw/zinc/13/24/83/395132483.db2.gz GBBTWOZEAIAGBF-QXSJWSMHSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000347353680 395122491 /nfs/dbraw/zinc/12/24/91/395122491.db2.gz ZPMWVXTXMBMJEU-GJZGRUSLSA-N 2 1 254.418 2.264 20 0 CEADMP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)OC1CCCCCC1 ZINC000428034742 395133346 /nfs/dbraw/zinc/13/33/46/395133346.db2.gz OLFRHPNCXVMPRW-GDBMZVCRSA-N 2 1 266.429 2.410 20 0 CEADMP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)OC1CCCCCC1 ZINC000428034742 395133349 /nfs/dbraw/zinc/13/33/49/395133349.db2.gz OLFRHPNCXVMPRW-GDBMZVCRSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000347788920 395129464 /nfs/dbraw/zinc/12/94/64/395129464.db2.gz RQQCMGAEQHTPMH-KFWWJZLASA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000347788920 395129469 /nfs/dbraw/zinc/12/94/69/395129469.db2.gz RQQCMGAEQHTPMH-KFWWJZLASA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000347788920 395129472 /nfs/dbraw/zinc/12/94/72/395129472.db2.gz RQQCMGAEQHTPMH-KFWWJZLASA-N 2 1 268.445 2.200 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428038895 395133470 /nfs/dbraw/zinc/13/34/70/395133470.db2.gz ZWZQCLKHHPVTLT-HZPDHXFCSA-N 2 1 274.408 2.366 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428038895 395133474 /nfs/dbraw/zinc/13/34/74/395133474.db2.gz ZWZQCLKHHPVTLT-HZPDHXFCSA-N 2 1 274.408 2.366 20 0 CEADMP c1ccc(CCOCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428039564 395133878 /nfs/dbraw/zinc/13/38/78/395133878.db2.gz RYNIDLIXRKSWGB-MSOLQXFVSA-N 2 1 288.435 2.320 20 0 CEADMP CCn1nncc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417872274 395153759 /nfs/dbraw/zinc/15/37/59/395153759.db2.gz NHHIKUAIEDDMLD-GASCZTMLSA-N 2 1 293.459 2.146 20 0 CEADMP CCC[C@]1(C)CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351511364 395226589 /nfs/dbraw/zinc/22/65/89/395226589.db2.gz BXWBOZAGNWQKHB-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@]1(C)CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351511364 395226594 /nfs/dbraw/zinc/22/65/94/395226594.db2.gz BXWBOZAGNWQKHB-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@]1(C)CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351511364 395226597 /nfs/dbraw/zinc/22/65/97/395226597.db2.gz BXWBOZAGNWQKHB-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@]1(C)CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351511364 395226605 /nfs/dbraw/zinc/22/66/05/395226605.db2.gz BXWBOZAGNWQKHB-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1ncc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)s1 ZINC000400052302 395249219 /nfs/dbraw/zinc/24/92/19/395249219.db2.gz DKLMLXWBRIFVDV-ZYHUDNBSSA-N 2 1 253.415 2.271 20 0 CEADMP Cc1noc(C)c1[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181628737 395221434 /nfs/dbraw/zinc/22/14/34/395221434.db2.gz VMSFSHXIGPLEET-WDMOLILDSA-N 2 1 265.401 2.467 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433328661 395224594 /nfs/dbraw/zinc/22/45/94/395224594.db2.gz WPLKQBUBXAZXAD-GFCCVEGCSA-N 2 1 274.368 2.101 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433328661 395224596 /nfs/dbraw/zinc/22/45/96/395224596.db2.gz WPLKQBUBXAZXAD-GFCCVEGCSA-N 2 1 274.368 2.101 20 0 CEADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420323887 395326161 /nfs/dbraw/zinc/32/61/61/395326161.db2.gz UNYASBCQZOPSIB-LSDHHAIUSA-N 2 1 299.422 2.260 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000420291832 395299444 /nfs/dbraw/zinc/29/94/44/395299444.db2.gz LDCMXYHUSNXCAM-LLVKDONJSA-N 2 1 278.400 2.286 20 0 CEADMP CC(C)c1cc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420291562 395299613 /nfs/dbraw/zinc/29/96/13/395299613.db2.gz XGKRHCBKVVQPLK-OLZOCXBDSA-N 2 1 291.443 2.087 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1(C)C ZINC000353533929 395300656 /nfs/dbraw/zinc/30/06/56/395300656.db2.gz YIMDMMPRQSBZQI-AIEDFZFUSA-N 2 1 266.429 2.262 20 0 CEADMP CC(C)C[C@@H]1COCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420298846 395304525 /nfs/dbraw/zinc/30/45/25/395304525.db2.gz IANILTCTNPQVLL-HUUCEWRRSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000420300301 395305589 /nfs/dbraw/zinc/30/55/89/395305589.db2.gz CGDLTUPKYAAXBV-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000420300301 395305592 /nfs/dbraw/zinc/30/55/92/395305592.db2.gz CGDLTUPKYAAXBV-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)[C@H]2CCC[C@H]21 ZINC000353671030 395305769 /nfs/dbraw/zinc/30/57/69/395305769.db2.gz CBIJBAJGDCUABV-XUWVNRHRSA-N 2 1 266.429 2.408 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)s1 ZINC000420303667 395309028 /nfs/dbraw/zinc/30/90/28/395309028.db2.gz IBEDFCLMZGMSMW-DRZSPHRISA-N 2 1 294.420 2.012 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)s1 ZINC000420303667 395309032 /nfs/dbraw/zinc/30/90/32/395309032.db2.gz IBEDFCLMZGMSMW-DRZSPHRISA-N 2 1 294.420 2.012 20 0 CEADMP [NH3+]C1(C[NH2+]CCOc2cccc(Br)c2)CCC1 ZINC000420304472 395309553 /nfs/dbraw/zinc/30/95/53/395309553.db2.gz IYLQWQHSYGPDMQ-UHFFFAOYSA-N 2 1 299.212 2.299 20 0 CEADMP C[C@@H]1CC[C@H](C)C[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420309065 395312702 /nfs/dbraw/zinc/31/27/02/395312702.db2.gz SWIFILJMOGWCPD-FSDCSDTHSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@@H]1CC[C@H](C)C[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420309065 395312705 /nfs/dbraw/zinc/31/27/05/395312705.db2.gz SWIFILJMOGWCPD-FSDCSDTHSA-N 2 1 276.424 2.038 20 0 CEADMP CO[C@]1(C)C[C@@H]([N@@H+](C)CC[C@H]2CC[NH2+]C2)C1(C)C ZINC000420313137 395316956 /nfs/dbraw/zinc/31/69/56/395316956.db2.gz XOOZXEKRILDMPM-UMVBOHGHSA-N 2 1 254.418 2.121 20 0 CEADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000420314089 395318343 /nfs/dbraw/zinc/31/83/43/395318343.db2.gz YSJGIIQIRUJZKX-GJZGRUSLSA-N 2 1 254.418 2.267 20 0 CEADMP CCOCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434682328 395321433 /nfs/dbraw/zinc/32/14/33/395321433.db2.gz WBOLVQPRXGVJHT-UHFFFAOYSA-N 2 1 277.412 2.435 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420324529 395327595 /nfs/dbraw/zinc/32/75/95/395327595.db2.gz ZUNBASOSRHCIIB-HOTGVXAUSA-N 2 1 274.408 2.312 20 0 CEADMP CCC[NH2+][C@@H](C)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000296584396 395322620 /nfs/dbraw/zinc/32/26/20/395322620.db2.gz XEFURNGWLXMIDW-AWEZNQCLSA-N 2 1 291.439 2.143 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC[C@@H]1CCCC[NH+]1C ZINC000420321645 395323365 /nfs/dbraw/zinc/32/33/65/395323365.db2.gz RIWPEZLSZGGYRC-CVEARBPZSA-N 3 1 267.461 2.182 20 0 CEADMP C[NH+](CC[C@H]1CCC[NH2+]C1)CC[C@@H]1CCCC[N@@H+]1C ZINC000420321645 395323370 /nfs/dbraw/zinc/32/33/70/395323370.db2.gz RIWPEZLSZGGYRC-CVEARBPZSA-N 3 1 267.461 2.182 20 0 CEADMP C[NH+](CC[C@H]1CCC[NH2+]C1)CC[C@@H]1CCCC[N@H+]1C ZINC000420321645 395323372 /nfs/dbraw/zinc/32/33/72/395323372.db2.gz RIWPEZLSZGGYRC-CVEARBPZSA-N 3 1 267.461 2.182 20 0 CEADMP CN1CCCC[C@H]1CC[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420321645 395323375 /nfs/dbraw/zinc/32/33/75/395323375.db2.gz RIWPEZLSZGGYRC-CVEARBPZSA-N 2 1 267.461 2.182 20 0 CEADMP CN1CCCC[C@H]1CC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420321645 395323380 /nfs/dbraw/zinc/32/33/80/395323380.db2.gz RIWPEZLSZGGYRC-CVEARBPZSA-N 2 1 267.461 2.182 20 0 CEADMP CC[C@H]1C[NH+](CCC[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439462860 395267092 /nfs/dbraw/zinc/26/70/92/395267092.db2.gz AMHHBMDOCDRMMH-IRXDYDNUSA-N 2 1 298.471 2.378 20 0 CEADMP CC[C@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CCCO1 ZINC000439479018 395269246 /nfs/dbraw/zinc/26/92/46/395269246.db2.gz POACTWGLOZHKQC-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CC[C@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC000439479018 395269248 /nfs/dbraw/zinc/26/92/48/395269248.db2.gz POACTWGLOZHKQC-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CC[C@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CCCO1 ZINC000439479018 395269249 /nfs/dbraw/zinc/26/92/49/395269249.db2.gz POACTWGLOZHKQC-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000420379132 395363758 /nfs/dbraw/zinc/36/37/58/395363758.db2.gz XLMXYDUNCINBJN-XHBSWPGZSA-N 2 1 293.386 2.130 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192094123 395372383 /nfs/dbraw/zinc/37/23/83/395372383.db2.gz YPDRCBBGPHMXFB-ZIAGYGMSSA-N 2 1 291.439 2.126 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)s1 ZINC000420405839 395372817 /nfs/dbraw/zinc/37/28/17/395372817.db2.gz MZOAURSWXNJJIP-GWCFXTLKSA-N 2 1 296.436 2.260 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)s1 ZINC000420405839 395372820 /nfs/dbraw/zinc/37/28/20/395372820.db2.gz MZOAURSWXNJJIP-GWCFXTLKSA-N 2 1 296.436 2.260 20 0 CEADMP CCCN(CCC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420413060 395374543 /nfs/dbraw/zinc/37/45/43/395374543.db2.gz ZMHNJRBPPHKMLW-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420413060 395374548 /nfs/dbraw/zinc/37/45/48/395374548.db2.gz ZMHNJRBPPHKMLW-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP c1ccc(C[N@H+](C[C@H]2CCOC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435626645 395379981 /nfs/dbraw/zinc/37/99/81/395379981.db2.gz LIYUQKLFNQXFPL-WBVHZDCISA-N 2 1 289.423 2.062 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOCCc1ccccc1 ZINC000442779165 395395136 /nfs/dbraw/zinc/39/51/36/395395136.db2.gz IGDOAUZKMAOYFS-RDJZCZTQSA-N 2 1 276.424 2.305 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1CC([NH3+])C1 ZINC000420329334 395330893 /nfs/dbraw/zinc/33/08/93/395330893.db2.gz JLNDHXQWXIISGD-UHFFFAOYSA-N 2 1 299.777 2.229 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335401 395332728 /nfs/dbraw/zinc/33/27/28/395332728.db2.gz UVCUQDWHSSWFMN-SJORKVTESA-N 3 1 279.472 2.184 20 0 CEADMP C(CN1CCCCC1)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335401 395332731 /nfs/dbraw/zinc/33/27/31/395332731.db2.gz UVCUQDWHSSWFMN-SJORKVTESA-N 2 1 279.472 2.184 20 0 CEADMP C(CN1CCCCC1)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335401 395332734 /nfs/dbraw/zinc/33/27/34/395332734.db2.gz UVCUQDWHSSWFMN-SJORKVTESA-N 2 1 279.472 2.184 20 0 CEADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000354648802 395336937 /nfs/dbraw/zinc/33/69/37/395336937.db2.gz NKVJBUZZRHEXQB-JYJNAYRXSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000354648802 395336940 /nfs/dbraw/zinc/33/69/40/395336940.db2.gz NKVJBUZZRHEXQB-JYJNAYRXSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)Nc1ccccc1F ZINC000420362284 395348614 /nfs/dbraw/zinc/34/86/14/395348614.db2.gz MVYAUKZAHUEPFR-CYBMUJFWSA-N 2 1 281.375 2.117 20 0 CEADMP CCN(C(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)C1CCCCC1 ZINC000420367626 395353022 /nfs/dbraw/zinc/35/30/22/395353022.db2.gz MXGVDUVJWWBESG-OAHLLOKOSA-N 2 1 295.471 2.145 20 0 CEADMP C=Cn1cc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cn1 ZINC000193998684 395421510 /nfs/dbraw/zinc/42/15/10/395421510.db2.gz JJAYDNCOKGMWGQ-HIFRSBDPSA-N 2 1 262.401 2.146 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194066608 395423528 /nfs/dbraw/zinc/42/35/28/395423528.db2.gz PTIDFVUFFGNCHR-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194066608 395423531 /nfs/dbraw/zinc/42/35/31/395423531.db2.gz PTIDFVUFFGNCHR-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC2(OC)CCC(C)CC2)CC1 ZINC000355409233 395439184 /nfs/dbraw/zinc/43/91/84/395439184.db2.gz DAVTUTIGGUBWGH-UHFFFAOYSA-N 2 1 298.471 2.282 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCO[C@@H]2CCCCO2)C[C@H]1C ZINC000444654600 395444079 /nfs/dbraw/zinc/44/40/79/395444079.db2.gz XRTMGBUJFZJJEF-OWCLPIDISA-N 2 1 284.444 2.334 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCO[C@@H]2CCCCO2)C[C@H]1C ZINC000444654600 395444081 /nfs/dbraw/zinc/44/40/81/395444081.db2.gz XRTMGBUJFZJJEF-OWCLPIDISA-N 2 1 284.444 2.334 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO[C@@H]2CCCCO2)C[C@H]1C ZINC000444654600 395444083 /nfs/dbraw/zinc/44/40/83/395444083.db2.gz XRTMGBUJFZJJEF-OWCLPIDISA-N 2 1 284.444 2.334 20 0 CEADMP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000566225475 395506582 /nfs/dbraw/zinc/50/65/82/395506582.db2.gz QAOJCSUEFCOHPF-CYBMUJFWSA-N 2 1 285.391 2.414 20 0 CEADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000566225475 395506584 /nfs/dbraw/zinc/50/65/84/395506584.db2.gz QAOJCSUEFCOHPF-CYBMUJFWSA-N 2 1 285.391 2.414 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000566230659 395506967 /nfs/dbraw/zinc/50/69/67/395506967.db2.gz ALLZALNIPRVYDO-XJKSGUPXSA-N 2 1 282.391 2.313 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000566230659 395506969 /nfs/dbraw/zinc/50/69/69/395506969.db2.gz ALLZALNIPRVYDO-XJKSGUPXSA-N 2 1 282.391 2.313 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1C ZINC000448025340 395507765 /nfs/dbraw/zinc/50/77/65/395507765.db2.gz CSNHCWCYDLLMIZ-RBSFLKMASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1C ZINC000448025340 395507766 /nfs/dbraw/zinc/50/77/66/395507766.db2.gz CSNHCWCYDLLMIZ-RBSFLKMASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1C ZINC000448025340 395507768 /nfs/dbraw/zinc/50/77/68/395507768.db2.gz CSNHCWCYDLLMIZ-RBSFLKMASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2N(C)CCCC2(C)C)CC[N@@H+]1C ZINC000448025340 395507770 /nfs/dbraw/zinc/50/77/70/395507770.db2.gz CSNHCWCYDLLMIZ-RBSFLKMASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2N(C)CCCC2(C)C)CC[N@H+]1C ZINC000448025340 395507772 /nfs/dbraw/zinc/50/77/72/395507772.db2.gz CSNHCWCYDLLMIZ-RBSFLKMASA-N 2 1 267.461 2.179 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000448552978 395514956 /nfs/dbraw/zinc/51/49/56/395514956.db2.gz OFTSNZVBSHTYGK-OAHLLOKOSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000448552978 395514959 /nfs/dbraw/zinc/51/49/59/395514959.db2.gz OFTSNZVBSHTYGK-OAHLLOKOSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000448553011 395515297 /nfs/dbraw/zinc/51/52/97/395515297.db2.gz ZPMXQHKUXMYULT-AWEZNQCLSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000448553011 395515299 /nfs/dbraw/zinc/51/52/99/395515299.db2.gz ZPMXQHKUXMYULT-AWEZNQCLSA-N 2 1 265.401 2.065 20 0 CEADMP C[NH+](C)CCN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CCCC1 ZINC000566444668 395525412 /nfs/dbraw/zinc/52/54/12/395525412.db2.gz RDZXLBLOMSWRIC-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(C)s1 ZINC000567893059 395539999 /nfs/dbraw/zinc/53/99/99/395539999.db2.gz MPPLZJQEBZUBHC-LLVKDONJSA-N 2 1 282.409 2.014 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(C)s1 ZINC000567893059 395540002 /nfs/dbraw/zinc/54/00/02/395540002.db2.gz MPPLZJQEBZUBHC-LLVKDONJSA-N 2 1 282.409 2.014 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)c2C1 ZINC000567901511 395540900 /nfs/dbraw/zinc/54/09/00/395540900.db2.gz LXNMLZBAVVCWSR-BETUJISGSA-N 2 1 273.380 2.088 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)c2C1 ZINC000567901511 395540902 /nfs/dbraw/zinc/54/09/02/395540902.db2.gz LXNMLZBAVVCWSR-BETUJISGSA-N 2 1 273.380 2.088 20 0 CEADMP Cc1cccc2oc(CC[NH2+][C@H]3CCC[C@H]3[NH3+])nc21 ZINC000565651939 395479695 /nfs/dbraw/zinc/47/96/95/395479695.db2.gz VPHIHZWTRLYWBQ-NEPJUHHUSA-N 2 1 259.353 2.148 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000565841566 395486759 /nfs/dbraw/zinc/48/67/59/395486759.db2.gz FGVNLNYGTABOEX-FRRDWIJNSA-N 2 1 296.377 2.352 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000565841566 395486760 /nfs/dbraw/zinc/48/67/60/395486760.db2.gz FGVNLNYGTABOEX-FRRDWIJNSA-N 2 1 296.377 2.352 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000565841566 395486761 /nfs/dbraw/zinc/48/67/61/395486761.db2.gz FGVNLNYGTABOEX-FRRDWIJNSA-N 2 1 296.377 2.352 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000565841566 395486762 /nfs/dbraw/zinc/48/67/62/395486762.db2.gz FGVNLNYGTABOEX-FRRDWIJNSA-N 2 1 296.377 2.352 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000565841566 395486763 /nfs/dbraw/zinc/48/67/63/395486763.db2.gz FGVNLNYGTABOEX-FRRDWIJNSA-N 2 1 296.377 2.352 20 0 CEADMP CCc1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)o1 ZINC000565955165 395492502 /nfs/dbraw/zinc/49/25/02/395492502.db2.gz VNNACQNPOIUTAI-AWEZNQCLSA-N 2 1 263.385 2.201 20 0 CEADMP CC[C@@H]1c2ccsc2CCN1C[C@H](O)C[N@@H+](C)CC ZINC000565988895 395493042 /nfs/dbraw/zinc/49/30/42/395493042.db2.gz LFXJGIBMIJYJRZ-TZMCWYRMSA-N 2 1 282.453 2.370 20 0 CEADMP C[C@H](NCC[N@@H+]1CC[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000566025525 395496219 /nfs/dbraw/zinc/49/62/19/395496219.db2.gz YYHHKGMKKDDJBO-CABCVRRESA-N 2 1 299.422 2.260 20 0 CEADMP C[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000566025525 395496221 /nfs/dbraw/zinc/49/62/21/395496221.db2.gz YYHHKGMKKDDJBO-CABCVRRESA-N 2 1 299.422 2.260 20 0 CEADMP Cc1nccn1CC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451379166 395612571 /nfs/dbraw/zinc/61/25/71/395612571.db2.gz ZDYLBKONQCNBFF-QXSJWSMHSA-N 2 1 257.381 2.336 20 0 CEADMP CC[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000449560487 395554914 /nfs/dbraw/zinc/55/49/14/395554914.db2.gz LTXXTFVFMOHLPR-IXIBIKRGSA-N 2 1 266.429 2.406 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1O ZINC000568377582 395556154 /nfs/dbraw/zinc/55/61/54/395556154.db2.gz HGYPYERLZJFGJU-CHWSQXEVSA-N 2 1 278.396 2.393 20 0 CEADMP COC[C@@]1(C)CC[NH+](CCC[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000451203556 395594394 /nfs/dbraw/zinc/59/43/94/395594394.db2.gz QFFKEVISEXCCBB-IRXDYDNUSA-N 2 1 298.471 2.093 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC2(CCCCC2)C1 ZINC000574887756 395639922 /nfs/dbraw/zinc/63/99/22/395639922.db2.gz BYDAFPHSHYFCIZ-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC2(CCCCC2)C1 ZINC000574887756 395639923 /nfs/dbraw/zinc/63/99/23/395639923.db2.gz BYDAFPHSHYFCIZ-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000574887756 395639924 /nfs/dbraw/zinc/63/99/24/395639924.db2.gz BYDAFPHSHYFCIZ-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000574887756 395639925 /nfs/dbraw/zinc/63/99/25/395639925.db2.gz BYDAFPHSHYFCIZ-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP C[NH+](C)[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CC1 ZINC000493900075 395677739 /nfs/dbraw/zinc/67/77/39/395677739.db2.gz JPGYKWRTLSHCFJ-FXUDXRNXSA-N 2 1 278.440 2.264 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493966778 395678336 /nfs/dbraw/zinc/67/83/36/395678336.db2.gz CMGMQJNJANWSCZ-QLFBSQMISA-N 2 1 275.396 2.129 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647542267 395730675 /nfs/dbraw/zinc/73/06/75/395730675.db2.gz BJERMMBWFMSOGB-FVQBIDKESA-N 2 1 274.408 2.340 20 0 CEADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543986 395731331 /nfs/dbraw/zinc/73/13/31/395731331.db2.gz VHVMOUCCTDLNFF-GJZGRUSLSA-N 3 1 267.461 2.086 20 0 CEADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543986 395731332 /nfs/dbraw/zinc/73/13/32/395731332.db2.gz VHVMOUCCTDLNFF-GJZGRUSLSA-N 3 1 267.461 2.086 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000647545811 395731986 /nfs/dbraw/zinc/73/19/86/395731986.db2.gz YOLMKAJWMZAGMD-CABCVRRESA-N 2 1 289.423 2.302 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC000647548629 395733076 /nfs/dbraw/zinc/73/30/76/395733076.db2.gz LNFRCVFSEZOMHU-SWLSCSKDSA-N 2 1 250.361 2.346 20 0 CEADMP Cc1cc(CC[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)cc(C)c1O ZINC000647551397 395733936 /nfs/dbraw/zinc/73/39/36/395733936.db2.gz MISWGMLDVSJJFN-ABAIWWIYSA-N 2 1 262.397 2.139 20 0 CEADMP COc1ccccc1C1([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000647552960 395734502 /nfs/dbraw/zinc/73/45/02/395734502.db2.gz CWSSLBBTLIIJMK-CYBMUJFWSA-N 2 1 260.381 2.274 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCc2ccccc21 ZINC000647957942 395784447 /nfs/dbraw/zinc/78/44/47/395784447.db2.gz XBDRHCZETGCYFU-NVXWUHKLSA-N 2 1 276.424 2.307 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCc2ccccc21 ZINC000647957942 395784450 /nfs/dbraw/zinc/78/44/50/395784450.db2.gz XBDRHCZETGCYFU-NVXWUHKLSA-N 2 1 276.424 2.307 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000647957942 395784454 /nfs/dbraw/zinc/78/44/54/395784454.db2.gz XBDRHCZETGCYFU-NVXWUHKLSA-N 2 1 276.424 2.307 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000647957942 395784457 /nfs/dbraw/zinc/78/44/57/395784457.db2.gz XBDRHCZETGCYFU-NVXWUHKLSA-N 2 1 276.424 2.307 20 0 CEADMP FC(F)(F)COCCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815124 395759967 /nfs/dbraw/zinc/75/99/67/395759967.db2.gz PYYWXEZJQAPVFD-UHFFFAOYSA-N 2 1 280.334 2.172 20 0 CEADMP C[N@@H+](CCC[NH3+])CCC(=O)Nc1cccc2ccccc21 ZINC000647849398 395763369 /nfs/dbraw/zinc/76/33/69/395763369.db2.gz RHAPBFUFFLGYAU-UHFFFAOYSA-N 2 1 285.391 2.449 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000647870869 395766218 /nfs/dbraw/zinc/76/62/18/395766218.db2.gz HYUMBOQNACYUBC-KBPBESRZSA-N 2 1 294.443 2.228 20 0 CEADMP CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H]1CC[NH2+]C1 ZINC000647873454 395766730 /nfs/dbraw/zinc/76/67/30/395766730.db2.gz LRIJAIHGBSPCRS-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP C[N@H+]1CC[C@@H]2CCN(c3[nH+]ccc4[nH]ccc43)[C@@H]2C1 ZINC000647876619 395767446 /nfs/dbraw/zinc/76/74/46/395767446.db2.gz UKJQGVQQVVWMGM-BXUZGUMPSA-N 2 1 256.353 2.093 20 0 CEADMP Fc1ccc(C[C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647881126 395768069 /nfs/dbraw/zinc/76/80/69/395768069.db2.gz COFDHZZJMQEYQD-HOCLYGCPSA-N 2 1 262.372 2.442 20 0 CEADMP c1cc2c(c([C@@H]3CCC[N@@H+]3C[C@H]3CC[NH2+]C3)c1)OCCO2 ZINC000647883943 395768846 /nfs/dbraw/zinc/76/88/46/395768846.db2.gz NAOPLIKFQMRMPH-ZFWWWQNUSA-N 2 1 288.391 2.204 20 0 CEADMP Fc1cccc(C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000647882867 395768871 /nfs/dbraw/zinc/76/88/71/395768871.db2.gz JTTUKCWWVKTVPG-NVXWUHKLSA-N 2 1 292.398 2.416 20 0 CEADMP Fc1cccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000647882867 395768872 /nfs/dbraw/zinc/76/88/72/395768872.db2.gz JTTUKCWWVKTVPG-NVXWUHKLSA-N 2 1 292.398 2.416 20 0 CEADMP CO[C@](C)(C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000647911017 395772459 /nfs/dbraw/zinc/77/24/59/395772459.db2.gz NSUTUDPNSCVFQT-VHDGCEQUSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@](C)(C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000647911017 395772460 /nfs/dbraw/zinc/77/24/60/395772460.db2.gz NSUTUDPNSCVFQT-VHDGCEQUSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@](C)(C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000647911017 395772461 /nfs/dbraw/zinc/77/24/61/395772461.db2.gz NSUTUDPNSCVFQT-VHDGCEQUSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@](C)(C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000647911017 395772462 /nfs/dbraw/zinc/77/24/62/395772462.db2.gz NSUTUDPNSCVFQT-VHDGCEQUSA-N 2 1 254.418 2.216 20 0 CEADMP CC[C@H]1C[N@@H+](CCC(=O)NCC2CCCCC2)CC[C@H]1[NH3+] ZINC000647936944 395779327 /nfs/dbraw/zinc/77/93/27/395779327.db2.gz NXGBVHLZOOEVFM-JKSUJKDBSA-N 2 1 295.471 2.132 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647986539 395795765 /nfs/dbraw/zinc/79/57/65/395795765.db2.gz DZBDEBUAQXMFDX-DLBZAZTESA-N 3 1 279.472 2.088 20 0 CEADMP NC[C@@H]1c2ccccc2CC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647995227 395798220 /nfs/dbraw/zinc/79/82/20/395798220.db2.gz HFAIVJISSWRMEA-GOSISDBHSA-N 2 1 287.451 2.324 20 0 CEADMP NC[C@@H]1c2ccccc2CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647995227 395798222 /nfs/dbraw/zinc/79/82/22/395798222.db2.gz HFAIVJISSWRMEA-GOSISDBHSA-N 2 1 287.451 2.324 20 0 CEADMP COc1ncncc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000648003635 395800875 /nfs/dbraw/zinc/80/08/75/395800875.db2.gz SEZWGZHVCXQYGN-UHFFFAOYSA-N 2 1 292.427 2.037 20 0 CEADMP COc1ncncc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000648003635 395800876 /nfs/dbraw/zinc/80/08/76/395800876.db2.gz SEZWGZHVCXQYGN-UHFFFAOYSA-N 2 1 292.427 2.037 20 0 CEADMP CCCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000648994792 396035693 /nfs/dbraw/zinc/03/56/93/396035693.db2.gz DDCSFWVTRMNFMU-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@H]1CC[N@@H+](C)C1 ZINC000648997519 396037486 /nfs/dbraw/zinc/03/74/86/396037486.db2.gz RGRXTEZBEKZWHL-KGLIPLIRSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649307270 396117428 /nfs/dbraw/zinc/11/74/28/396117428.db2.gz CYRMNBBGBVBRMX-CYBMUJFWSA-N 2 1 283.460 2.131 20 0 CEADMP CCc1ccc2[nH+]ccc(N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)c2c1 ZINC000649304605 396117441 /nfs/dbraw/zinc/11/74/41/396117441.db2.gz LSJUGTZHXRGFIU-UGSOOPFHSA-N 2 1 299.418 2.350 20 0 CEADMP CCc1ccc2[nH+]ccc(N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)c2c1 ZINC000649304605 396117443 /nfs/dbraw/zinc/11/74/43/396117443.db2.gz LSJUGTZHXRGFIU-UGSOOPFHSA-N 2 1 299.418 2.350 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000649412170 396147379 /nfs/dbraw/zinc/14/73/79/396147379.db2.gz QDDMIYAABIZWKJ-IXDOHACOSA-N 2 1 279.472 2.182 20 0 CEADMP c1c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nn2c1CCC2 ZINC000649488132 396167566 /nfs/dbraw/zinc/16/75/66/396167566.db2.gz CWJSQFOZRZUOJJ-UHFFFAOYSA-N 2 1 288.439 2.137 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@H]1CCC[NH+]1C ZINC000649528813 396178892 /nfs/dbraw/zinc/17/88/92/396178892.db2.gz ULIHDAGVFNCFOK-SJLPKXTDSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H]1CCC(F)(F)C1)CCO2 ZINC000646106657 396294813 /nfs/dbraw/zinc/29/48/13/396294813.db2.gz KCEJUFXKVKOMJP-CYBMUJFWSA-N 2 1 288.382 2.218 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000646424662 396345810 /nfs/dbraw/zinc/34/58/10/396345810.db2.gz LIABVLGSRHIXKF-QLFBSQMISA-N 2 1 293.455 2.122 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+]CC2=CCCOC2)[C@H](c2ccccc2)C1 ZINC000647248900 396450288 /nfs/dbraw/zinc/45/02/88/396450288.db2.gz NPYLCGIUYONJQW-MSOLQXFVSA-N 2 1 286.419 2.268 20 0 CEADMP COC1(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CCCC1 ZINC000361543943 292112251 /nfs/dbraw/zinc/11/22/51/292112251.db2.gz RHTLTTYPTDOHTH-HRCADAONSA-N 2 1 296.455 2.129 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1ccc(OC(F)(F)F)cc1 ZINC000019834740 400107033 /nfs/dbraw/zinc/10/70/33/400107033.db2.gz KEDYXJOPWQFAFX-UHFFFAOYSA-N 2 1 262.275 2.366 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000050247777 400237721 /nfs/dbraw/zinc/23/77/21/400237721.db2.gz QCTHGWDQGBAOOP-GFCCVEGCSA-N 2 1 268.788 2.390 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCO[C@H]3CCC[C@@H]31)C[NH2+]CC2 ZINC000211318723 400303527 /nfs/dbraw/zinc/30/35/27/400303527.db2.gz PDFUATUPKBEPEP-IRXDYDNUSA-N 2 1 272.392 2.086 20 0 CEADMP C[NH+]1CCCC12CCN(CC[C@H]1CCC[N@@H+]1C)CC2 ZINC000335305295 400351956 /nfs/dbraw/zinc/35/19/56/400351956.db2.gz DUOHBSYOYWOGGG-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CCC2(CCC[N@@H+]2C)CC1 ZINC000335305295 400351963 /nfs/dbraw/zinc/35/19/63/400351963.db2.gz DUOHBSYOYWOGGG-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CCC2(CCC[N@H+]2C)CC1 ZINC000335305295 400351972 /nfs/dbraw/zinc/35/19/72/400351972.db2.gz DUOHBSYOYWOGGG-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000339427800 400364552 /nfs/dbraw/zinc/36/45/52/400364552.db2.gz CAVJJRWKJCISOR-IAGOWNOFSA-N 2 1 276.424 2.176 20 0 CEADMP COc1cc(C[NH+](C)C)ccc1NC(=O)C[N@@H+](C)C(C)C ZINC000633372845 400681343 /nfs/dbraw/zinc/68/13/43/400681343.db2.gz PMFPJOMCDMXJHV-UHFFFAOYSA-N 2 1 293.411 2.036 20 0 CEADMP CCOC(CC[NH2+]Cc1c[nH+]ccc1N(C)C)OCC ZINC000276224964 285986523 /nfs/dbraw/zinc/98/65/23/285986523.db2.gz NKIPFTKGPCXHON-UHFFFAOYSA-N 2 1 281.400 2.026 20 0 CEADMP Cc1ccncc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708089 401000281 /nfs/dbraw/zinc/00/02/81/401000281.db2.gz SWUGUTCASGXWOG-XIRDDKMYSA-N 2 1 289.423 2.108 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cn1 ZINC000650711699 401002007 /nfs/dbraw/zinc/00/20/07/401002007.db2.gz AJHHKHKDHSNSQS-HOCLYGCPSA-N 2 1 290.455 2.487 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CNc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000650749632 401025378 /nfs/dbraw/zinc/02/53/78/401025378.db2.gz QXUBEYDTCVMBMP-MVJTYMMSSA-N 2 1 285.435 2.486 20 0 CEADMP Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650754068 401031140 /nfs/dbraw/zinc/03/11/40/401031140.db2.gz AJCLFJBCSOISOS-NSHDSACASA-N 2 1 274.343 2.234 20 0 CEADMP [NH3+]Cc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000650754107 401031599 /nfs/dbraw/zinc/03/15/99/401031599.db2.gz BIPZQTUJMZEIHS-CABCVRRESA-N 2 1 277.387 2.001 20 0 CEADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccn(C)n1 ZINC000650756565 401032773 /nfs/dbraw/zinc/03/27/73/401032773.db2.gz DUCYNOVXHZFDLJ-OAHLLOKOSA-N 2 1 272.396 2.380 20 0 CEADMP C[C@@H]([NH2+]C1(CO)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000360013612 155190898 /nfs/dbraw/zinc/19/08/98/155190898.db2.gz HAHFJBRNAONJGX-NVXWUHKLSA-N 2 1 288.435 2.402 20 0 CEADMP CCOCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000336787015 286028799 /nfs/dbraw/zinc/02/87/99/286028799.db2.gz DBOMFIITKFMNQP-BFHYXJOUSA-N 2 1 256.434 2.367 20 0 CEADMP CCC[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C(C)(C)C ZINC000651297133 401309585 /nfs/dbraw/zinc/30/95/85/401309585.db2.gz NLMYJEPXZJVHNH-CQSZACIVSA-N 2 1 256.434 2.248 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651686070 401372292 /nfs/dbraw/zinc/37/22/92/401372292.db2.gz PAHNICSLBDRYFN-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651686070 401372295 /nfs/dbraw/zinc/37/22/95/401372295.db2.gz PAHNICSLBDRYFN-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000651865676 401405799 /nfs/dbraw/zinc/40/57/99/401405799.db2.gz DEDQREXADXNSRL-HOCLYGCPSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000651865676 401405800 /nfs/dbraw/zinc/40/58/00/401405800.db2.gz DEDQREXADXNSRL-HOCLYGCPSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000651865676 401405802 /nfs/dbraw/zinc/40/58/02/401405802.db2.gz DEDQREXADXNSRL-HOCLYGCPSA-N 2 1 267.461 2.037 20 0 CEADMP CCC[NH+]1CCC(NCCC[N@@H+](C)CC(C)C)CC1 ZINC000651866070 401406126 /nfs/dbraw/zinc/40/61/26/401406126.db2.gz SSUMSJTUTFITFO-UHFFFAOYSA-N 2 1 269.477 2.428 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000651865675 401406241 /nfs/dbraw/zinc/40/62/41/401406241.db2.gz DEDQREXADXNSRL-GOEBONIOSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000651865675 401406243 /nfs/dbraw/zinc/40/62/43/401406243.db2.gz DEDQREXADXNSRL-GOEBONIOSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000651865675 401406248 /nfs/dbraw/zinc/40/62/48/401406248.db2.gz DEDQREXADXNSRL-GOEBONIOSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1CC[C@@H](NCCC[NH+](C)CC(C)C)[C@@H](C)C1 ZINC000651866194 401406895 /nfs/dbraw/zinc/40/68/95/401406895.db2.gz YHVFBZHLBPYTNJ-JKSUJKDBSA-N 2 1 269.477 2.284 20 0 CEADMP CC[NH+]1CC[C@@H](NCCC[N@H+](C)CC(C)C)[C@@H](C)C1 ZINC000651866194 401406899 /nfs/dbraw/zinc/40/68/99/401406899.db2.gz YHVFBZHLBPYTNJ-JKSUJKDBSA-N 2 1 269.477 2.284 20 0 CEADMP CC[NH+]1CC[C@@H](NCCC[N@@H+](C)CC(C)C)[C@@H](C)C1 ZINC000651866194 401406904 /nfs/dbraw/zinc/40/69/04/401406904.db2.gz YHVFBZHLBPYTNJ-JKSUJKDBSA-N 2 1 269.477 2.284 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH+](C)CC(C)C)[C@@H](C)C1 ZINC000651866194 401406905 /nfs/dbraw/zinc/40/69/05/401406905.db2.gz YHVFBZHLBPYTNJ-JKSUJKDBSA-N 3 1 269.477 2.284 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH+](C)CC(C)C)[C@@H](C)C1 ZINC000651866194 401406909 /nfs/dbraw/zinc/40/69/09/401406909.db2.gz YHVFBZHLBPYTNJ-JKSUJKDBSA-N 3 1 269.477 2.284 20 0 CEADMP CC[NH+]1CC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)[C@@H](C)C1 ZINC000651866194 401406913 /nfs/dbraw/zinc/40/69/13/401406913.db2.gz YHVFBZHLBPYTNJ-JKSUJKDBSA-N 3 1 269.477 2.284 20 0 CEADMP CC[NH+]1CC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)[C@@H](C)C1 ZINC000651866194 401406916 /nfs/dbraw/zinc/40/69/16/401406916.db2.gz YHVFBZHLBPYTNJ-JKSUJKDBSA-N 3 1 269.477 2.284 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc(O)c1 ZINC000651866595 401407110 /nfs/dbraw/zinc/40/71/10/401407110.db2.gz KCRNWOUIMBGZIZ-UHFFFAOYSA-N 2 1 250.386 2.460 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc(O)c1 ZINC000651866595 401407111 /nfs/dbraw/zinc/40/71/11/401407111.db2.gz KCRNWOUIMBGZIZ-UHFFFAOYSA-N 2 1 250.386 2.460 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H](NCC(C)(C)[NH+](C)C)[C@H](C)C1 ZINC000152604785 286059034 /nfs/dbraw/zinc/05/90/34/286059034.db2.gz GFCRREVSVJKVMX-HZPDHXFCSA-N 2 1 299.503 2.053 20 0 CEADMP COC[C@H](CC(C)(C)C)[NH2+]CCc1c[nH+]cn1C ZINC000652190034 401461849 /nfs/dbraw/zinc/46/18/49/401461849.db2.gz ABRSCZBEEUZIIF-LBPRGKRZSA-N 2 1 253.390 2.003 20 0 CEADMP c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CCC[NH2+]3)C1)C[NH2+]CC2 ZINC000652339764 401489744 /nfs/dbraw/zinc/48/97/44/401489744.db2.gz LHWHAEBPZIQQJA-IEBWSBKVSA-N 3 1 299.462 2.296 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]3)C1)C[NH2+]CC2 ZINC000652339764 401489747 /nfs/dbraw/zinc/48/97/47/401489747.db2.gz LHWHAEBPZIQQJA-IEBWSBKVSA-N 3 1 299.462 2.296 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC[C@@H]3CCCCO3)C2)C1 ZINC000652350392 401491712 /nfs/dbraw/zinc/49/17/12/401491712.db2.gz WVYFLPVYLZFLPI-YVSFHVDLSA-N 2 1 296.455 2.164 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC2CCC2)C1 ZINC000652361910 401494114 /nfs/dbraw/zinc/49/41/14/401494114.db2.gz SHMJNVSJALDDRM-KFWWJZLASA-N 2 1 252.402 2.147 20 0 CEADMP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)oc1C ZINC000652363012 401495397 /nfs/dbraw/zinc/49/53/97/401495397.db2.gz VKGDOWGXOYGKPV-ZNMIVQPWSA-N 2 1 293.411 2.152 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000360239718 155249364 /nfs/dbraw/zinc/24/93/64/155249364.db2.gz RWWYZVVJNKYOBZ-UKRRQHHQSA-N 2 1 254.418 2.264 20 0 CEADMP CCC(CC)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000360245991 155251503 /nfs/dbraw/zinc/25/15/03/155251503.db2.gz RRAOMHUPDNPMHA-KRWDZBQOSA-N 2 1 276.424 2.402 20 0 CEADMP CCC(CC)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000360245991 155251504 /nfs/dbraw/zinc/25/15/04/155251504.db2.gz RRAOMHUPDNPMHA-KRWDZBQOSA-N 2 1 276.424 2.402 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360534859 155322569 /nfs/dbraw/zinc/32/25/69/155322569.db2.gz KYFBURHPHZNARY-OWCLPIDISA-N 2 1 266.429 2.267 20 0 CEADMP C[N@H+]1CCC[C@@H](CNC(N)=[NH2+])[C@@H]1c1cccc(Cl)c1 ZINC000360616157 155337606 /nfs/dbraw/zinc/33/76/06/155337606.db2.gz ASHIAASCEHRWSL-AAEUAGOBSA-N 2 1 280.803 2.206 20 0 CEADMP CCN(C)c1ccc(C[NH2+]CCC[NH+]2CCCC2)cn1 ZINC000190702832 153141715 /nfs/dbraw/zinc/14/17/15/153141715.db2.gz PDWDYSMHAXAKOI-UHFFFAOYSA-N 2 1 276.428 2.113 20 0 CEADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000192570219 153210743 /nfs/dbraw/zinc/21/07/43/153210743.db2.gz GZOQLNOEFZRGPL-UHFFFAOYSA-N 2 1 299.422 2.063 20 0 CEADMP COc1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192600096 153210787 /nfs/dbraw/zinc/21/07/87/153210787.db2.gz QGTYJKKKTSCBAN-MQVJKMGUSA-N 2 1 274.408 2.453 20 0 CEADMP C[C@H](CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCC1 ZINC000193281348 153229325 /nfs/dbraw/zinc/22/93/25/153229325.db2.gz SLWUGMHHMTYACZ-MGNMYUMUSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCCCC1 ZINC000193281348 153229331 /nfs/dbraw/zinc/22/93/31/153229331.db2.gz SLWUGMHHMTYACZ-MGNMYUMUSA-N 3 1 279.472 2.466 20 0 CEADMP C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCC1 ZINC000193281348 153229337 /nfs/dbraw/zinc/22/93/37/153229337.db2.gz SLWUGMHHMTYACZ-MGNMYUMUSA-N 3 1 279.472 2.466 20 0 CEADMP CCCN(CC[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000263004009 154006255 /nfs/dbraw/zinc/00/62/55/154006255.db2.gz PABJTTJJWGEYST-KRWDZBQOSA-N 2 1 275.440 2.322 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000344008827 154263549 /nfs/dbraw/zinc/26/35/49/154263549.db2.gz ZLQZLYXCVMDFHO-SOUVJXGZSA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344008827 154263555 /nfs/dbraw/zinc/26/35/55/154263555.db2.gz ZLQZLYXCVMDFHO-SOUVJXGZSA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344008827 154263563 /nfs/dbraw/zinc/26/35/63/154263563.db2.gz ZLQZLYXCVMDFHO-SOUVJXGZSA-N 2 1 255.450 2.179 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000347084807 154300307 /nfs/dbraw/zinc/30/03/07/154300307.db2.gz CIACSQHIRZTCFF-MRXNPFEDSA-N 2 1 284.407 2.304 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CC2(C)C)s1 ZINC000352752328 154329727 /nfs/dbraw/zinc/32/97/27/154329727.db2.gz XYWKTFUFQHEOLN-JTQLQIEISA-N 2 1 253.415 2.340 20 0 CEADMP CCC[C@@H](CCO)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352751392 154332247 /nfs/dbraw/zinc/33/22/47/154332247.db2.gz UUSWDSNVHOTWQT-LBPRGKRZSA-N 2 1 285.457 2.093 20 0 CEADMP C[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352783077 154335269 /nfs/dbraw/zinc/33/52/69/154335269.db2.gz WZHQHWBSTXNFIY-RYUDHWBXSA-N 2 1 283.441 2.252 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCOC3(CCC3)C2)s1 ZINC000352785419 154335923 /nfs/dbraw/zinc/33/59/23/154335923.db2.gz GEVGWOIIZRNOOK-LBPRGKRZSA-N 2 1 295.452 2.396 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cnn(C)c1C ZINC000352788044 154341288 /nfs/dbraw/zinc/34/12/88/154341288.db2.gz INHPLQDRDWSQER-LBPRGKRZSA-N 2 1 275.400 2.364 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnn2C(C)C)C1 ZINC000354210138 154346050 /nfs/dbraw/zinc/34/60/50/154346050.db2.gz JVUYVOLLXSIUNX-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnn2C(C)C)C1 ZINC000354210138 154346054 /nfs/dbraw/zinc/34/60/54/154346054.db2.gz JVUYVOLLXSIUNX-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000357073402 154373213 /nfs/dbraw/zinc/37/32/13/154373213.db2.gz LNFNWZKVIORTSW-INIZCTEOSA-N 2 1 282.403 2.300 20 0 CEADMP OCC[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000359213733 154921299 /nfs/dbraw/zinc/92/12/99/154921299.db2.gz GIJDAIKVUOTAML-GOSISDBHSA-N 2 1 288.435 2.358 20 0 CEADMP CCCOc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000359471460 155024470 /nfs/dbraw/zinc/02/44/70/155024470.db2.gz IOBSOCXDXUTPOC-GASCZTMLSA-N 2 1 290.407 2.135 20 0 CEADMP CCCOc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000359471460 155024474 /nfs/dbraw/zinc/02/44/74/155024474.db2.gz IOBSOCXDXUTPOC-GASCZTMLSA-N 2 1 290.407 2.135 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000359527833 155045271 /nfs/dbraw/zinc/04/52/71/155045271.db2.gz ABTDRWADHDSQJK-INIZCTEOSA-N 2 1 291.370 2.434 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]CC2(OC)CCCC2)C1 ZINC000359696864 155115859 /nfs/dbraw/zinc/11/58/59/155115859.db2.gz QJUVFCWKECVYRL-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)n21 ZINC000363312680 156023130 /nfs/dbraw/zinc/02/31/30/156023130.db2.gz AYUYMFCBCDHXRA-CABCVRRESA-N 2 1 284.407 2.359 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)n21 ZINC000363312680 156023131 /nfs/dbraw/zinc/02/31/31/156023131.db2.gz AYUYMFCBCDHXRA-CABCVRRESA-N 2 1 284.407 2.359 20 0 CEADMP CCOC1CC(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000367159124 156142516 /nfs/dbraw/zinc/14/25/16/156142516.db2.gz VKUAKJLNLDDWAG-KNIAUWFNSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000367159124 156142523 /nfs/dbraw/zinc/14/25/23/156142523.db2.gz VKUAKJLNLDDWAG-KNIAUWFNSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000367159124 156142530 /nfs/dbraw/zinc/14/25/30/156142530.db2.gz VKUAKJLNLDDWAG-KNIAUWFNSA-N 2 1 266.429 2.218 20 0 CEADMP Cc1n[nH]cc1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367547811 156201232 /nfs/dbraw/zinc/20/12/32/156201232.db2.gz AOTJCUCREWWCHO-OAGGEKHMSA-N 2 1 276.428 2.113 20 0 CEADMP C[N@@H+](C[C@@H]1CCC=CO1)C1CC[NH+](C2CCOCC2)CC1 ZINC000375711694 157129332 /nfs/dbraw/zinc/12/93/32/157129332.db2.gz NYQZOIXVTIKCAV-KRWDZBQOSA-N 2 1 294.439 2.254 20 0 CEADMP COCCC[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000180740245 292377529 /nfs/dbraw/zinc/37/75/29/292377529.db2.gz LFWONCFRYFTDJJ-MRXNPFEDSA-N 2 1 298.471 2.426 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCOC1 ZINC000247129198 287025488 /nfs/dbraw/zinc/02/54/88/287025488.db2.gz ROYPYCOTURTYEY-QXSJWSMHSA-N 2 1 268.445 2.369 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000173745553 165084216 /nfs/dbraw/zinc/08/42/16/165084216.db2.gz SURFQAKNYZMESF-AWEZNQCLSA-N 2 1 261.413 2.136 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(C)c2C)C1 ZINC000176282325 165159213 /nfs/dbraw/zinc/15/92/13/165159213.db2.gz GNIUBGQQMSURCA-HNNXBMFYSA-N 2 1 278.444 2.201 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(C)c2C)C1 ZINC000176282325 165159214 /nfs/dbraw/zinc/15/92/14/165159214.db2.gz GNIUBGQQMSURCA-HNNXBMFYSA-N 2 1 278.444 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(C)c2C)C1 ZINC000176282325 165159217 /nfs/dbraw/zinc/15/92/17/165159217.db2.gz GNIUBGQQMSURCA-HNNXBMFYSA-N 2 1 278.444 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(C)c2C)C1 ZINC000176282325 165159220 /nfs/dbraw/zinc/15/92/20/165159220.db2.gz GNIUBGQQMSURCA-HNNXBMFYSA-N 2 1 278.444 2.201 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(C)c2C)C1 ZINC000176282343 165160704 /nfs/dbraw/zinc/16/07/04/165160704.db2.gz GNIUBGQQMSURCA-OAHLLOKOSA-N 2 1 278.444 2.201 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(C)c2C)C1 ZINC000176282343 165160709 /nfs/dbraw/zinc/16/07/09/165160709.db2.gz GNIUBGQQMSURCA-OAHLLOKOSA-N 2 1 278.444 2.201 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(C)c2C)C1 ZINC000176282343 165160712 /nfs/dbraw/zinc/16/07/12/165160712.db2.gz GNIUBGQQMSURCA-OAHLLOKOSA-N 2 1 278.444 2.201 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(C)c2C)C1 ZINC000176282343 165160716 /nfs/dbraw/zinc/16/07/16/165160716.db2.gz GNIUBGQQMSURCA-OAHLLOKOSA-N 2 1 278.444 2.201 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178304432 165230213 /nfs/dbraw/zinc/23/02/13/165230213.db2.gz LVOKDJBJRBBILI-BNOWGMLFSA-N 2 1 264.417 2.252 20 0 CEADMP c1cn2c(cccc2C[N@H+]2CC[C@H](Oc3cccnc3)C2)n1 ZINC000180484119 165313705 /nfs/dbraw/zinc/31/37/05/165313705.db2.gz MJRUGYHFYKBXOK-INIZCTEOSA-N 2 1 294.358 2.383 20 0 CEADMP c1cn2c(cccc2CN2CC[C@H](Oc3cccnc3)C2)n1 ZINC000180484119 165313708 /nfs/dbraw/zinc/31/37/08/165313708.db2.gz MJRUGYHFYKBXOK-INIZCTEOSA-N 2 1 294.358 2.383 20 0 CEADMP c1nn(-c2ccccc2)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000020128970 171016579 /nfs/dbraw/zinc/01/65/79/171016579.db2.gz NBLIQXDPXRAYNC-UHFFFAOYSA-N 2 1 284.407 2.448 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000020247189 171100167 /nfs/dbraw/zinc/10/01/67/171100167.db2.gz ALVOOBULAQMPQO-CYBMUJFWSA-N 2 1 255.365 2.406 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000037408199 173183689 /nfs/dbraw/zinc/18/36/89/173183689.db2.gz PGGZIQQVSHKPPF-CQSZACIVSA-N 2 1 260.381 2.269 20 0 CEADMP C[N@@H+](CCCNC(=O)CC1CC[NH2+]CC1)C1CCCCC1 ZINC000038076044 174086238 /nfs/dbraw/zinc/08/62/38/174086238.db2.gz OHPODVGGKRRQGI-UHFFFAOYSA-N 2 1 295.471 2.147 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747003 174392949 /nfs/dbraw/zinc/39/29/49/174392949.db2.gz VDUKWJJUHPJLOO-XYPWUTKMSA-N 2 1 287.407 2.230 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000653872258 414764250 /nfs/dbraw/zinc/76/42/50/414764250.db2.gz SGEBZDVQICNRLX-DGCLKSJQSA-N 2 1 278.387 2.103 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)CN1Cc2ccccc2C2(CC2)C1 ZINC000660318855 414767021 /nfs/dbraw/zinc/76/70/21/414767021.db2.gz WKNPRFQUANRSLM-MRXNPFEDSA-N 2 1 288.435 2.235 20 0 CEADMP C[C@@H]1CCC[N@H+](CC(=O)N(C)C2CCCCC2)[C@@H]1CC[NH3+] ZINC000404350216 414781126 /nfs/dbraw/zinc/78/11/26/414781126.db2.gz IULIPMKEEMKRLE-GDBMZVCRSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CCCCC2)[C@@H]1CC[NH3+] ZINC000404350216 414781132 /nfs/dbraw/zinc/78/11/32/414781132.db2.gz IULIPMKEEMKRLE-GDBMZVCRSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@H]1CCC[N@H+](CC(=O)N(C)c2ccccc2)[C@H]1CC[NH3+] ZINC000404398752 414784724 /nfs/dbraw/zinc/78/47/24/414784724.db2.gz QAIPEWWKZIYZHA-HOCLYGCPSA-N 2 1 289.423 2.099 20 0 CEADMP C[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccccc2)[C@H]1CC[NH3+] ZINC000404398752 414784728 /nfs/dbraw/zinc/78/47/28/414784728.db2.gz QAIPEWWKZIYZHA-HOCLYGCPSA-N 2 1 289.423 2.099 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])n1 ZINC000404525110 414787173 /nfs/dbraw/zinc/78/71/73/414787173.db2.gz ZEMRXOCWIZNGKZ-RISCZKNCSA-N 2 1 263.385 2.045 20 0 CEADMP CC(C)O[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000404647859 414788388 /nfs/dbraw/zinc/78/83/88/414788388.db2.gz PDIQWUHURPGNSP-LSDHHAIUSA-N 2 1 254.418 2.266 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1C[NH3+] ZINC000405460580 414793609 /nfs/dbraw/zinc/79/36/09/414793609.db2.gz RALHSKWYAADRCD-ZIAGYGMSSA-N 2 1 284.350 2.420 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCC2)CCO1 ZINC000132076090 414819901 /nfs/dbraw/zinc/81/99/01/414819901.db2.gz WDTHTMGZKAHXAM-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1c[nH]c(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000657311656 414853179 /nfs/dbraw/zinc/85/31/79/414853179.db2.gz QNYFXLLJOIKHFC-CYBMUJFWSA-N 2 1 264.417 2.320 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000660638784 414911821 /nfs/dbraw/zinc/91/18/21/414911821.db2.gz DHZUKFJJDKRYLI-KSZLIROESA-N 2 1 293.499 2.382 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000660638784 414911827 /nfs/dbraw/zinc/91/18/27/414911827.db2.gz DHZUKFJJDKRYLI-KSZLIROESA-N 2 1 293.499 2.382 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000660638784 414911832 /nfs/dbraw/zinc/91/18/32/414911832.db2.gz DHZUKFJJDKRYLI-KSZLIROESA-N 2 1 293.499 2.382 20 0 CEADMP Cc1cc(C[C@@H](C)[NH2+]Cc2ccnn2-c2cc[nH+]cc2)n[nH]1 ZINC000657398886 414913444 /nfs/dbraw/zinc/91/34/44/414913444.db2.gz FAOJBENVJLSFRO-GFCCVEGCSA-N 2 1 296.378 2.020 20 0 CEADMP COc1cccc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000660657843 414921187 /nfs/dbraw/zinc/92/11/87/414921187.db2.gz AYIPYPFXWJFFIG-INIZCTEOSA-N 2 1 275.396 2.008 20 0 CEADMP CCOc1cccc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000660664011 414922566 /nfs/dbraw/zinc/92/25/66/414922566.db2.gz PIKOKBQJOKBNHL-QGZVFWFLSA-N 2 1 289.423 2.398 20 0 CEADMP COC(C)(C)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661664 414922881 /nfs/dbraw/zinc/92/28/81/414922881.db2.gz DUQFOTWRYCQZHB-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP COC(C)(C)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661664 414922886 /nfs/dbraw/zinc/92/28/86/414922886.db2.gz DUQFOTWRYCQZHB-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP COC(C)(C)CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661664 414922890 /nfs/dbraw/zinc/92/28/90/414922890.db2.gz DUQFOTWRYCQZHB-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP Cn1cccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347802 414923784 /nfs/dbraw/zinc/92/37/84/414923784.db2.gz VXXLMVHBIXBJDA-HNNXBMFYSA-N 2 1 261.413 2.237 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCN1CCc3ccccc31)C2 ZINC000660661728 414924127 /nfs/dbraw/zinc/92/41/27/414924127.db2.gz FUBGYGWKKGAFDR-LJQANCHMSA-N 2 1 299.462 2.467 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCN1CCc3ccccc31)C2 ZINC000660661728 414924130 /nfs/dbraw/zinc/92/41/30/414924130.db2.gz FUBGYGWKKGAFDR-LJQANCHMSA-N 2 1 299.462 2.467 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCN1CCc3ccccc31)C2 ZINC000660661728 414924136 /nfs/dbraw/zinc/92/41/36/414924136.db2.gz FUBGYGWKKGAFDR-LJQANCHMSA-N 2 1 299.462 2.467 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC[C@H]1CCCCO1)C2 ZINC000660663153 414925283 /nfs/dbraw/zinc/92/52/83/414925283.db2.gz NOIMYFSWMYKUNL-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP CC(C)COCCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665678 414926983 /nfs/dbraw/zinc/92/69/83/414926983.db2.gz XDIINEZNQBRBFZ-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CC(C)COCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665678 414926989 /nfs/dbraw/zinc/92/69/89/414926989.db2.gz XDIINEZNQBRBFZ-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CC(C)COCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665678 414926994 /nfs/dbraw/zinc/92/69/94/414926994.db2.gz XDIINEZNQBRBFZ-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CC[N@H+]1CCC[C@H](CNCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657336963 414868883 /nfs/dbraw/zinc/86/88/83/414868883.db2.gz BWJCVDJCLVXNKL-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000657355056 414880513 /nfs/dbraw/zinc/88/05/13/414880513.db2.gz ANMFRZOJAMSCDS-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000657355056 414880520 /nfs/dbraw/zinc/88/05/20/414880520.db2.gz ANMFRZOJAMSCDS-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CC1(C)CCC[N@@H+](CCNCc2cnc3n2CCC3)C1 ZINC000657449575 414942195 /nfs/dbraw/zinc/94/21/95/414942195.db2.gz BBFYCCZDTQMISI-UHFFFAOYSA-N 2 1 276.428 2.041 20 0 CEADMP Fc1ccc(CC[N@H+]2CCn3cncc3C2)cc1F ZINC000660581253 414885042 /nfs/dbraw/zinc/88/50/42/414885042.db2.gz YQSDHVWZDMIZEH-UHFFFAOYSA-N 2 1 263.291 2.220 20 0 CEADMP c1cc2cnccc2c(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000663497546 414971834 /nfs/dbraw/zinc/97/18/34/414971834.db2.gz HDVRSKXEGSWZQU-UHFFFAOYSA-N 2 1 253.349 2.076 20 0 CEADMP N[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CC[C@H]1F ZINC000663506969 414976026 /nfs/dbraw/zinc/97/60/26/414976026.db2.gz PWXUHMBCGOKRLD-ZIAGYGMSSA-N 2 1 259.328 2.106 20 0 CEADMP N[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CC[C@H]1F ZINC000663506969 414976029 /nfs/dbraw/zinc/97/60/29/414976029.db2.gz PWXUHMBCGOKRLD-ZIAGYGMSSA-N 2 1 259.328 2.106 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CC1 ZINC000657596856 415018157 /nfs/dbraw/zinc/01/81/57/415018157.db2.gz ZTGAFJGWVBBOCT-DYVFJYSZSA-N 2 1 274.408 2.141 20 0 CEADMP C([NH2+][C@H]1CCSC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467489 414963296 /nfs/dbraw/zinc/96/32/96/414963296.db2.gz GABVKUALNKYHOT-KGLIPLIRSA-N 2 1 254.443 2.204 20 0 CEADMP CC[NH+]1CCC(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663469891 414964731 /nfs/dbraw/zinc/96/47/31/414964731.db2.gz RLRMUUKHCJXKPL-INIZCTEOSA-N 3 1 279.472 2.182 20 0 CEADMP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663469891 414964742 /nfs/dbraw/zinc/96/47/42/414964742.db2.gz RLRMUUKHCJXKPL-INIZCTEOSA-N 3 1 279.472 2.182 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CC)c1ccc(OC)cc1 ZINC000653598354 415049713 /nfs/dbraw/zinc/04/97/13/415049713.db2.gz WTXXYWABRPAXFX-GOEBONIOSA-N 2 1 280.412 2.049 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1ccc(OC)cc1 ZINC000653598354 415049716 /nfs/dbraw/zinc/04/97/16/415049716.db2.gz WTXXYWABRPAXFX-GOEBONIOSA-N 2 1 280.412 2.049 20 0 CEADMP CCc1ccc([C@@H](CO)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000653612050 415054072 /nfs/dbraw/zinc/05/40/72/415054072.db2.gz ZDPDOAVKCIAVRU-QGZVFWFLSA-N 2 1 287.407 2.238 20 0 CEADMP c1c[nH+]c(N2CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)[nH]1 ZINC000653644864 415062635 /nfs/dbraw/zinc/06/26/35/415062635.db2.gz UIFITFFGNUFOHN-OAHLLOKOSA-N 2 1 296.418 2.337 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000657808999 415088816 /nfs/dbraw/zinc/08/88/16/415088816.db2.gz RQDJKKSVKMKBJT-HJWJTTGWSA-N 2 1 274.408 2.152 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000657808999 415088822 /nfs/dbraw/zinc/08/88/22/415088822.db2.gz RQDJKKSVKMKBJT-HJWJTTGWSA-N 2 1 274.408 2.152 20 0 CEADMP CCc1cc(N2CCC3(C2)CC[NH+](C)CC3)nc(C)[nH+]1 ZINC000663920384 415089049 /nfs/dbraw/zinc/08/90/49/415089049.db2.gz NNFBDCDOFOSBCX-UHFFFAOYSA-N 2 1 274.412 2.270 20 0 CEADMP C[C@H](O)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000657815823 415093510 /nfs/dbraw/zinc/09/35/10/415093510.db2.gz HIINAQGXYVTPCY-ORQFMDKSSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H](O)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000657815823 415093514 /nfs/dbraw/zinc/09/35/14/415093514.db2.gz HIINAQGXYVTPCY-ORQFMDKSSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)O1 ZINC000657667690 415042195 /nfs/dbraw/zinc/04/21/95/415042195.db2.gz BLZZYEYZBAPBGP-CBBWQLFWSA-N 2 1 252.402 2.160 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000653779757 415102546 /nfs/dbraw/zinc/10/25/46/415102546.db2.gz ASGVLYKVSARRLY-CZUORRHYSA-N 2 1 294.414 2.100 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000653779757 415102548 /nfs/dbraw/zinc/10/25/48/415102548.db2.gz ASGVLYKVSARRLY-CZUORRHYSA-N 2 1 294.414 2.100 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCn2nccc21)C[NH+]1CCCCC1 ZINC000657845394 415103966 /nfs/dbraw/zinc/10/39/66/415103966.db2.gz WEPXPBIBHLXESR-CABCVRRESA-N 2 1 276.428 2.430 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657873429 415111137 /nfs/dbraw/zinc/11/11/37/415111137.db2.gz SZVJLFXYNMWEKF-GJZGRUSLSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc2cnccc2o1 ZINC000657981991 415144078 /nfs/dbraw/zinc/14/40/78/415144078.db2.gz JXWWPNQRZPRXAB-NSHDSACASA-N 2 1 270.336 2.455 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCC23CC3)CCCO1 ZINC000657993170 415146184 /nfs/dbraw/zinc/14/61/84/415146184.db2.gz XIZJWXYSFKZEFW-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCC23CC3)CCCO1 ZINC000657993170 415146190 /nfs/dbraw/zinc/14/61/90/415146190.db2.gz XIZJWXYSFKZEFW-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CCCn2nccc21)C1CC1 ZINC000658031009 415164904 /nfs/dbraw/zinc/16/49/04/415164904.db2.gz INWRDHZGKCQKPL-CQSZACIVSA-N 2 1 262.401 2.182 20 0 CEADMP COC[C@@H](CC1CCOCC1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000658033868 415167100 /nfs/dbraw/zinc/16/71/00/415167100.db2.gz BKQVYKFUCMYYNT-IAGOWNOFSA-N 2 1 298.471 2.140 20 0 CEADMP C[N@@H+](CCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000044374275 175168536 /nfs/dbraw/zinc/16/85/36/175168536.db2.gz SEMNMFIPELMJLG-YIONKMFJSA-N 2 1 260.381 2.280 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]C(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000044380440 175169389 /nfs/dbraw/zinc/16/93/89/175169389.db2.gz WPXKWAIEETZNEM-MRXNPFEDSA-N 2 1 275.440 2.363 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncccc1Cl ZINC000664197483 415219934 /nfs/dbraw/zinc/21/99/34/415219934.db2.gz YKFLANAKSHVQHI-LBPRGKRZSA-N 2 1 284.835 2.419 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncccc1Cl ZINC000664197483 415219937 /nfs/dbraw/zinc/21/99/37/415219937.db2.gz YKFLANAKSHVQHI-LBPRGKRZSA-N 2 1 284.835 2.419 20 0 CEADMP Cc1[nH]c2nc[nH+]c(NCC[C@H](C)[NH+](C)C)c2c1C ZINC000664243881 415240863 /nfs/dbraw/zinc/24/08/63/415240863.db2.gz GTKXQEWQQNQFCW-VIFPVBQESA-N 2 1 261.373 2.327 20 0 CEADMP C[NH+](C)CCC[N@H+](C)CCNc1ccnc(C(C)(C)C)n1 ZINC000664247710 415241277 /nfs/dbraw/zinc/24/12/77/415241277.db2.gz FIESROCYSDRDQA-UHFFFAOYSA-N 2 1 293.459 2.070 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)CCNc1ccnc(C(C)(C)C)n1 ZINC000664247710 415241279 /nfs/dbraw/zinc/24/12/79/415241279.db2.gz FIESROCYSDRDQA-UHFFFAOYSA-N 2 1 293.459 2.070 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1C ZINC000658228102 415264781 /nfs/dbraw/zinc/26/47/81/415264781.db2.gz GBEOQIQNRQOYSN-PMPSAXMXSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000658228102 415264790 /nfs/dbraw/zinc/26/47/90/415264790.db2.gz GBEOQIQNRQOYSN-PMPSAXMXSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000658228102 415264793 /nfs/dbraw/zinc/26/47/93/415264793.db2.gz GBEOQIQNRQOYSN-PMPSAXMXSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC[N@@H+]1C ZINC000658232052 415266793 /nfs/dbraw/zinc/26/67/93/415266793.db2.gz DGTIGGBPTVOJGX-MWQQHZPXSA-N 2 1 290.455 2.204 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC[N@H+]1C ZINC000658232052 415266799 /nfs/dbraw/zinc/26/67/99/415266799.db2.gz DGTIGGBPTVOJGX-MWQQHZPXSA-N 2 1 290.455 2.204 20 0 CEADMP CC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658146966 415231052 /nfs/dbraw/zinc/23/10/52/415231052.db2.gz WTPXIAUJOLEDSJ-CZUORRHYSA-N 2 1 262.397 2.141 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CC(N)=O)CCCCC2)[C@@H](C)C1 ZINC000658337310 415321835 /nfs/dbraw/zinc/32/18/35/415321835.db2.gz FZUSVHAAGPSWLV-LSDHHAIUSA-N 2 1 295.471 2.132 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000659021874 415392480 /nfs/dbraw/zinc/39/24/80/415392480.db2.gz INGVIBBIOICLQN-HNNXBMFYSA-N 2 1 290.411 2.012 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC[C@@H](C)SC2)CC1 ZINC000655688851 415386430 /nfs/dbraw/zinc/38/64/30/415386430.db2.gz MZZOTUASKLTPJJ-HZPDHXFCSA-N 2 1 299.528 2.278 20 0 CEADMP Cc1c[nH+]ccc1NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000664631476 415430727 /nfs/dbraw/zinc/43/07/27/415430727.db2.gz LYXIZYFAHJLVDT-INIZCTEOSA-N 2 1 267.376 2.498 20 0 CEADMP Cc1cc(NC[C@H]2CC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000664632900 415432853 /nfs/dbraw/zinc/43/28/53/415432853.db2.gz WWDKHVSQDYETHH-QGZVFWFLSA-N 2 1 267.376 2.498 20 0 CEADMP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)O1 ZINC000655756693 415436365 /nfs/dbraw/zinc/43/63/65/415436365.db2.gz WHNGNFXDRDLPLQ-HOTGVXAUSA-N 2 1 296.455 2.177 20 0 CEADMP FC1(F)CC(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655775498 415454758 /nfs/dbraw/zinc/45/47/58/415454758.db2.gz ZJEILKHGBYNSPD-AWEZNQCLSA-N 2 1 288.382 2.265 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000655789200 415470528 /nfs/dbraw/zinc/47/05/28/415470528.db2.gz XMWYDQIPGNHNKG-UHFFFAOYSA-N 2 1 276.371 2.001 20 0 CEADMP C[C@@H](Cc1ccccn1)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000655844901 415514501 /nfs/dbraw/zinc/51/45/01/415514501.db2.gz ZNEFAINOWZDOPD-ZDUSSCGKSA-N 2 1 270.380 2.263 20 0 CEADMP C[C@H](N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cnn(C)c1 ZINC000655848616 415516574 /nfs/dbraw/zinc/51/65/74/415516574.db2.gz IVUMCCMTCYTXJG-QEJZJMRPSA-N 2 1 262.401 2.088 20 0 CEADMP C[C@H](N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cnn(C)c1 ZINC000655848616 415516580 /nfs/dbraw/zinc/51/65/80/415516580.db2.gz IVUMCCMTCYTXJG-QEJZJMRPSA-N 2 1 262.401 2.088 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCc2noc3ccccc32)C1 ZINC000655939916 415559699 /nfs/dbraw/zinc/55/96/99/415559699.db2.gz VYSRLJDHTRNCNG-ZDUSSCGKSA-N 2 1 273.380 2.431 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000665251649 415650496 /nfs/dbraw/zinc/65/04/96/415650496.db2.gz VIVWLRLFMVOFLE-YCEFEEMOSA-N 2 1 299.462 2.347 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@@]1(C)CC[NH2+]C1 ZINC000656194574 415628530 /nfs/dbraw/zinc/62/85/30/415628530.db2.gz LAWLOJJCMPDJJC-AWEZNQCLSA-N 2 1 298.333 2.440 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@@]1(C)CC[NH2+]C1 ZINC000656194574 415628533 /nfs/dbraw/zinc/62/85/33/415628533.db2.gz LAWLOJJCMPDJJC-AWEZNQCLSA-N 2 1 298.333 2.440 20 0 CEADMP COC1([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)CCC1 ZINC000665219619 415629449 /nfs/dbraw/zinc/62/94/49/415629449.db2.gz WXLYLMXWCAMSGN-QWHCGFSZSA-N 2 1 265.401 2.375 20 0 CEADMP CCC(C)(C)[NH+]1CCN([C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000656199915 415632948 /nfs/dbraw/zinc/63/29/48/415632948.db2.gz GLJQLVBOUQYADI-BZUAXINKSA-N 2 1 279.472 2.181 20 0 CEADMP Cc1nccn1CC[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000662023265 415578234 /nfs/dbraw/zinc/57/82/34/415578234.db2.gz YKUUMOZCCLBRBF-QGZVFWFLSA-N 2 1 284.407 2.402 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000662023265 415578242 /nfs/dbraw/zinc/57/82/42/415578242.db2.gz YKUUMOZCCLBRBF-QGZVFWFLSA-N 2 1 284.407 2.402 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000662023265 415578248 /nfs/dbraw/zinc/57/82/48/415578248.db2.gz YKUUMOZCCLBRBF-QGZVFWFLSA-N 2 1 284.407 2.402 20 0 CEADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662147297 415658779 /nfs/dbraw/zinc/65/87/79/415658779.db2.gz DKBFGONIEMLITL-BFYDXBDKSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000665266712 415659013 /nfs/dbraw/zinc/65/90/13/415659013.db2.gz IDDVEWVHJAJTMQ-YCPHGPKFSA-N 2 1 265.445 2.124 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)[C@@H]1CCC[NH2+]1 ZINC000665271868 415664486 /nfs/dbraw/zinc/66/44/86/415664486.db2.gz UAYOKKMBSANJQO-XHSDSOJGSA-N 2 1 259.397 2.376 20 0 CEADMP CC[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000665299156 415684541 /nfs/dbraw/zinc/68/45/41/415684541.db2.gz HOWNWQAJZMKVMP-IKGGRYGDSA-N 3 1 279.472 2.229 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299367 415686268 /nfs/dbraw/zinc/68/62/68/415686268.db2.gz LQMGSYSQMMZGFN-IKGGRYGDSA-N 2 1 279.472 2.216 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299367 415686274 /nfs/dbraw/zinc/68/62/74/415686274.db2.gz LQMGSYSQMMZGFN-IKGGRYGDSA-N 2 1 279.472 2.216 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299367 415686279 /nfs/dbraw/zinc/68/62/79/415686279.db2.gz LQMGSYSQMMZGFN-IKGGRYGDSA-N 2 1 279.472 2.216 20 0 CEADMP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCCN1 ZINC000665299426 415688763 /nfs/dbraw/zinc/68/87/63/415688763.db2.gz MSQLUPGXVJSYBF-PBHICJAKSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H]2CCCC[C@H]12 ZINC000662253881 415721634 /nfs/dbraw/zinc/72/16/34/415721634.db2.gz XXKXSZLVTICDRT-QKPAOTATSA-N 2 1 278.440 2.408 20 0 CEADMP Fc1cccc([C@H]2CC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662255686 415721976 /nfs/dbraw/zinc/72/19/76/415721976.db2.gz DEKBBRAOPWCRHO-LSDHHAIUSA-N 2 1 276.355 2.094 20 0 CEADMP CC(C)[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256315 415723938 /nfs/dbraw/zinc/72/39/38/415723938.db2.gz UZVITHAOVUGDDH-KBPBESRZSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)[C@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256329 415726870 /nfs/dbraw/zinc/72/68/70/415726870.db2.gz UZVITHAOVUGDDH-ZIAGYGMSSA-N 2 1 252.402 2.018 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)C1CCCCC1 ZINC000662265824 415730902 /nfs/dbraw/zinc/73/09/02/415730902.db2.gz JBADSXUKPIMFQA-VHDGCEQUSA-N 2 1 254.418 2.251 20 0 CEADMP c1csc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662248746 415711625 /nfs/dbraw/zinc/71/16/25/415711625.db2.gz JCQUPNFZCSKONI-CHWSQXEVSA-N 2 1 278.421 2.406 20 0 CEADMP CO[C@H](C[N@H+](C)[C@@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000662274033 415740467 /nfs/dbraw/zinc/74/04/67/415740467.db2.gz SGPHWMQVVLBMKQ-LSDHHAIUSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@H](C[N@@H+](C)[C@@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000662274033 415740471 /nfs/dbraw/zinc/74/04/71/415740471.db2.gz SGPHWMQVVLBMKQ-LSDHHAIUSA-N 2 1 254.418 2.251 20 0 CEADMP Cc1nnsc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662272369 415740869 /nfs/dbraw/zinc/74/08/69/415740869.db2.gz FMQDQCXNZDXREB-OLZOCXBDSA-N 2 1 280.441 2.058 20 0 CEADMP CO[C@@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1ccccc1 ZINC000662276863 415744410 /nfs/dbraw/zinc/74/44/10/415744410.db2.gz MEEWQCLKPIHNSJ-KBPBESRZSA-N 2 1 250.386 2.337 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662277805 415746077 /nfs/dbraw/zinc/74/60/77/415746077.db2.gz UKEFBZPJBYQKDC-RDBSUJKOSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)CCCC[C@H]1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662277045 415747304 /nfs/dbraw/zinc/74/73/04/415747304.db2.gz QHNZDXVGPFPQJK-JKSUJKDBSA-N 2 1 279.472 2.182 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1ccc2c(c1)OC(F)(F)O2 ZINC000662282515 415748395 /nfs/dbraw/zinc/74/83/95/415748395.db2.gz BBVJDXKZJDVSHH-CMPLNLGQSA-N 2 1 298.333 2.362 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)co1 ZINC000662293545 415760441 /nfs/dbraw/zinc/76/04/41/415760441.db2.gz LVZYEUZUVBLPNQ-AWEZNQCLSA-N 2 1 263.385 2.195 20 0 CEADMP CCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298326 415762769 /nfs/dbraw/zinc/76/27/69/415762769.db2.gz VLRSINUTEKHXPD-ZBFHGGJFSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H]1CCO ZINC000662303551 415764672 /nfs/dbraw/zinc/76/46/72/415764672.db2.gz WWVWQUROXFKXNK-KBXCAEBGSA-N 2 1 288.435 2.315 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)CC1=CCCOC1 ZINC000662306543 415767154 /nfs/dbraw/zinc/76/71/54/415767154.db2.gz RNFFOHAQDKUJCL-UHFFFAOYSA-N 2 1 272.392 2.111 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)[C@@H]1CCC[NH3+] ZINC000662314473 415773501 /nfs/dbraw/zinc/77/35/01/415773501.db2.gz DOJGKFSQILZFLK-GDBMZVCRSA-N 3 1 267.461 2.216 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])C(C)C ZINC000662313489 415775506 /nfs/dbraw/zinc/77/55/06/415775506.db2.gz RTTDPSQRTBUJFA-HZPDHXFCSA-N 2 1 297.487 2.471 20 0 CEADMP CC[N@@H+](CCOc1ccccc1OC)CC[C@H]1CC[NH2+]C1 ZINC000662320204 415776151 /nfs/dbraw/zinc/77/61/51/415776151.db2.gz AMZMETHLNFTDNY-OAHLLOKOSA-N 2 1 292.423 2.396 20 0 CEADMP c1ccc(CCC[C@@H]2CCC[N@H+]2C[C@H]2CNCCO2)cc1 ZINC000662283806 415752246 /nfs/dbraw/zinc/75/22/46/415752246.db2.gz CXVLUIZDARXEAA-QZTJIDSGSA-N 2 1 288.435 2.462 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322586 415777744 /nfs/dbraw/zinc/77/77/44/415777744.db2.gz VWLDDIVYRGEZLJ-CQSZACIVSA-N 2 1 297.468 2.037 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322586 415777752 /nfs/dbraw/zinc/77/77/52/415777752.db2.gz VWLDDIVYRGEZLJ-CQSZACIVSA-N 2 1 297.468 2.037 20 0 CEADMP COC[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OC ZINC000659880047 415757942 /nfs/dbraw/zinc/75/79/42/415757942.db2.gz ZYEVHQJMQCOGAD-DLBZAZTESA-N 2 1 298.471 2.236 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662323491 415781594 /nfs/dbraw/zinc/78/15/94/415781594.db2.gz RIFKFSUWUIWYCL-CVEARBPZSA-N 2 1 268.445 2.249 20 0 CEADMP CC[C@@H]([NH2+]C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000662454008 415850548 /nfs/dbraw/zinc/85/05/48/415850548.db2.gz FAJCVPIHVXFGKF-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2COC(C)(C)C2)C1 ZINC000659975538 415817190 /nfs/dbraw/zinc/81/71/90/415817190.db2.gz XDDJRDDAJTWRFR-LSDHHAIUSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659975538 415817194 /nfs/dbraw/zinc/81/71/94/415817194.db2.gz XDDJRDDAJTWRFR-LSDHHAIUSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659975538 415817199 /nfs/dbraw/zinc/81/71/99/415817199.db2.gz XDDJRDDAJTWRFR-LSDHHAIUSA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)C[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000656698789 415821733 /nfs/dbraw/zinc/82/17/33/415821733.db2.gz OGHBFNUWPCOHDZ-HZPDHXFCSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)C[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000656698789 415821738 /nfs/dbraw/zinc/82/17/38/415821738.db2.gz OGHBFNUWPCOHDZ-HZPDHXFCSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)C[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000656698789 415821746 /nfs/dbraw/zinc/82/17/46/415821746.db2.gz OGHBFNUWPCOHDZ-HZPDHXFCSA-N 2 1 270.461 2.446 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2COC(C)(C)C2)C1 ZINC000659982812 415827754 /nfs/dbraw/zinc/82/77/54/415827754.db2.gz XMRKVJKSLLCZIB-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659982812 415827757 /nfs/dbraw/zinc/82/77/57/415827757.db2.gz XMRKVJKSLLCZIB-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659982812 415827759 /nfs/dbraw/zinc/82/77/59/415827759.db2.gz XMRKVJKSLLCZIB-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C[C@H]1n1ccnc1 ZINC000660111784 415884111 /nfs/dbraw/zinc/88/41/11/415884111.db2.gz HGRJBVXYZSBYKL-UPJWGTAASA-N 2 1 285.338 2.190 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC1CC=CC1 ZINC000660118237 415889469 /nfs/dbraw/zinc/88/94/69/415889469.db2.gz SWTLFEHLTDZRSQ-OAGGEKHMSA-N 2 1 264.413 2.136 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662592244 415896548 /nfs/dbraw/zinc/89/65/48/415896548.db2.gz IIDDKHKFEJLDEP-KGLIPLIRSA-N 2 1 297.487 2.247 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]2CCN(C)C[C@@H]21)C1CCCC1 ZINC000660223034 415930134 /nfs/dbraw/zinc/93/01/34/415930134.db2.gz BGZCGYLXEKEIFE-VNQPRFMTSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662458852 415852764 /nfs/dbraw/zinc/85/27/64/415852764.db2.gz SBTNLRBKJMWHAG-JKSUJKDBSA-N 2 1 297.487 2.378 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC[NH2+]1 ZINC000656783311 415859385 /nfs/dbraw/zinc/85/93/85/415859385.db2.gz OWCRJOXPTZAGFJ-INMHGKMJSA-N 3 1 279.472 2.086 20 0 CEADMP Cc1cccn2c(C[NH2+]CC3([NH3+])CCCC3)cnc12 ZINC000656788323 415861434 /nfs/dbraw/zinc/86/14/34/415861434.db2.gz JLNGEJAFKGVRHS-UHFFFAOYSA-N 2 1 258.369 2.004 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787319 415862051 /nfs/dbraw/zinc/86/20/51/415862051.db2.gz XHDGJCZSFYEJRT-HOTGVXAUSA-N 3 1 267.461 2.071 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787318 415862305 /nfs/dbraw/zinc/86/23/05/415862305.db2.gz XHDGJCZSFYEJRT-CVEARBPZSA-N 3 1 267.461 2.071 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662699501 415934134 /nfs/dbraw/zinc/93/41/34/415934134.db2.gz BNFCXECPEWBBPT-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000353464214 287354132 /nfs/dbraw/zinc/35/41/32/287354132.db2.gz PVJOEUJUDTVDJR-TWMKSMIVSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353464214 287354134 /nfs/dbraw/zinc/35/41/34/287354134.db2.gz PVJOEUJUDTVDJR-TWMKSMIVSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353464214 287354136 /nfs/dbraw/zinc/35/41/36/287354136.db2.gz PVJOEUJUDTVDJR-TWMKSMIVSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1CCCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353464214 287354137 /nfs/dbraw/zinc/35/41/37/287354137.db2.gz PVJOEUJUDTVDJR-TWMKSMIVSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1CCCN(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353464214 287354139 /nfs/dbraw/zinc/35/41/39/287354139.db2.gz PVJOEUJUDTVDJR-TWMKSMIVSA-N 2 1 279.472 2.181 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1OC ZINC000314006912 419481724 /nfs/dbraw/zinc/48/17/24/419481724.db2.gz QBZNAVFLVCEJOC-YOEHRIQHSA-N 2 1 290.407 2.265 20 0 CEADMP FC(F)(F)c1cccnc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000666764645 419421244 /nfs/dbraw/zinc/42/12/44/419421244.db2.gz NLAUJHGETHDPEH-JTQLQIEISA-N 2 1 273.302 2.190 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccccc2-n2cncn2)CCCCC1 ZINC000666802247 419434185 /nfs/dbraw/zinc/43/41/85/419434185.db2.gz PFLODIVRQMPCNM-UHFFFAOYSA-N 2 1 285.395 2.019 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1cnc2ccccn12)C1CCCCC1 ZINC000666801084 419435254 /nfs/dbraw/zinc/43/52/54/419435254.db2.gz KGAXWFQHURHVFD-HNNXBMFYSA-N 2 1 272.396 2.332 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)C(C)(C)C ZINC000667040121 419528003 /nfs/dbraw/zinc/52/80/03/419528003.db2.gz VBNOWPYINPWWJH-JSGCOSHPSA-N 2 1 279.432 2.056 20 0 CEADMP C1CC2(C1)C[C@@H]([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC[NH2+]2 ZINC000666993899 419506316 /nfs/dbraw/zinc/50/63/16/419506316.db2.gz RXCAXZPOWFQRGJ-VGWMRTNUSA-N 3 1 277.456 2.171 20 0 CEADMP Cn1ncc(C2CC2)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000667597459 419725600 /nfs/dbraw/zinc/72/56/00/419725600.db2.gz NOXSFLBJPMRRIY-UHFFFAOYSA-N 2 1 276.428 2.071 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](Cc3ccncc3)C2)CC[NH2+]1 ZINC000666693944 419776896 /nfs/dbraw/zinc/77/68/96/419776896.db2.gz NNYGGOQTQUDWLR-HYVNUMGLSA-N 2 1 273.424 2.334 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCc3ccc(O)cc3CC2)CC[NH2+]1 ZINC000666689626 419777272 /nfs/dbraw/zinc/77/72/72/419777272.db2.gz WRQTWETXLMERBV-ZIAGYGMSSA-N 2 1 274.408 2.181 20 0 CEADMP CN(CCC[N@H+]1CC[C@H](C[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000497121942 260004374 /nfs/dbraw/zinc/00/43/74/260004374.db2.gz AMWHSLXVXJWIBG-CQSZACIVSA-N 2 1 299.459 2.127 20 0 CEADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000517758080 260220297 /nfs/dbraw/zinc/22/02/97/260220297.db2.gz YMBZDFUZZOPXHJ-JKSUJKDBSA-N 2 1 280.456 2.415 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000449191339 260288143 /nfs/dbraw/zinc/28/81/43/260288143.db2.gz XGGAWOJTQYSEHJ-SQWLQELKSA-N 2 1 284.444 2.031 20 0 CEADMP CC[C@@]1(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CCC[NH2+]1 ZINC000214481055 260367704 /nfs/dbraw/zinc/36/77/04/260367704.db2.gz GKRLCVJDOSDBHN-KRWDZBQOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000393683604 270343555 /nfs/dbraw/zinc/34/35/55/270343555.db2.gz SUIACBLMAHVERH-JHJVBQTASA-N 2 1 256.434 2.102 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc(N2CCOC2=O)c1 ZINC000497183044 262085459 /nfs/dbraw/zinc/08/54/59/262085459.db2.gz XXJHVLZWNJGEBI-NSHDSACASA-N 2 1 277.368 2.031 20 0 CEADMP c1nn(Cc2ccccc2)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000390139295 262137805 /nfs/dbraw/zinc/13/78/05/262137805.db2.gz NPHYRMLQYRFMRS-QGZVFWFLSA-N 2 1 284.407 2.163 20 0 CEADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390567823 262219558 /nfs/dbraw/zinc/21/95/58/262219558.db2.gz BSJATSZKPFOVPR-AGIUHOORSA-N 2 1 276.371 2.169 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)[C@H]2CCCC[C@H]2C)C1 ZINC000430549719 263254903 /nfs/dbraw/zinc/25/49/03/263254903.db2.gz JDFTYUKWWCCURY-QXSJWSMHSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@H]2CCCC[C@H]2C)C1 ZINC000430549719 263254907 /nfs/dbraw/zinc/25/49/07/263254907.db2.gz JDFTYUKWWCCURY-QXSJWSMHSA-N 2 1 295.471 2.083 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CC2)[C@@H](C)C1 ZINC000425415858 264293040 /nfs/dbraw/zinc/29/30/40/264293040.db2.gz KNJHLBIKTKHXDS-QEJZJMRPSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)C2CC2)[C@@H](C)C1 ZINC000425415858 264293041 /nfs/dbraw/zinc/29/30/41/264293041.db2.gz KNJHLBIKTKHXDS-QEJZJMRPSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)C2CC2)[C@@H](C)C1 ZINC000425415858 264293042 /nfs/dbraw/zinc/29/30/42/264293042.db2.gz KNJHLBIKTKHXDS-QEJZJMRPSA-N 2 1 254.418 2.074 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](OC)C2CC2)C1 ZINC000425411970 264294605 /nfs/dbraw/zinc/29/46/05/264294605.db2.gz BIZRIVNDBQQOIS-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](OC)C2CC2)C1 ZINC000425411970 264294607 /nfs/dbraw/zinc/29/46/07/264294607.db2.gz BIZRIVNDBQQOIS-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](OC)C2CC2)C1 ZINC000425411970 264294609 /nfs/dbraw/zinc/29/46/09/264294609.db2.gz BIZRIVNDBQQOIS-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192778814 270280294 /nfs/dbraw/zinc/28/02/94/270280294.db2.gz OJGVULIQTDWJRV-JZWPEALZSA-N 2 1 265.445 2.028 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192766440 270280321 /nfs/dbraw/zinc/28/03/21/270280321.db2.gz WZEUGORTLUNUKF-HNNXBMFYSA-N 2 1 255.450 2.133 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH2+]CC1 ZINC000236753368 270317167 /nfs/dbraw/zinc/31/71/67/270317167.db2.gz DCTAOALJEQPJRY-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1(C[NH3+])CCCC1 ZINC000237496183 270321901 /nfs/dbraw/zinc/32/19/01/270321901.db2.gz LDEGVAFUNJVREN-HNNXBMFYSA-N 2 1 295.471 2.276 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000250119452 270328099 /nfs/dbraw/zinc/32/80/99/270328099.db2.gz UWYMJHVHLBSLBZ-AAVRWANBSA-N 2 1 254.418 2.262 20 0 CEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(F)cc1F ZINC000259192600 270329301 /nfs/dbraw/zinc/32/93/01/270329301.db2.gz ZRIKIMQCYFUWEU-NSHDSACASA-N 2 1 254.324 2.396 20 0 CEADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCCC2CCCCC2)C1 ZINC000395073544 270344819 /nfs/dbraw/zinc/34/48/19/270344819.db2.gz FFVOKEDKOWBJOG-INIZCTEOSA-N 2 1 295.471 2.134 20 0 CEADMP OCC1(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000395853509 270348980 /nfs/dbraw/zinc/34/89/80/270348980.db2.gz NJSPROFBXOCPPS-UHFFFAOYSA-N 2 1 288.435 2.403 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397359756 270353651 /nfs/dbraw/zinc/35/36/51/270353651.db2.gz XFKHNEOZGYXFED-KKUMJFAQSA-N 2 1 284.444 2.415 20 0 CEADMP C[N@@H+](CCCc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420319665 270515865 /nfs/dbraw/zinc/51/58/65/270515865.db2.gz PIUFGVXYROUBIR-XYPWUTKMSA-N 2 1 259.397 2.229 20 0 CEADMP COC[C@@H]1CCCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000420374546 270531232 /nfs/dbraw/zinc/53/12/32/270531232.db2.gz OAYBWNHSVWJSDL-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422718784 270740033 /nfs/dbraw/zinc/74/00/33/270740033.db2.gz QBRKAGLGMKHVSR-IIAWOOMASA-N 2 1 273.424 2.168 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422744621 270750242 /nfs/dbraw/zinc/75/02/42/270750242.db2.gz KKFGIJAHJBBVAD-BFYDXBDKSA-N 2 1 273.424 2.386 20 0 CEADMP COc1ccccc1O[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422779122 270763404 /nfs/dbraw/zinc/76/34/04/270763404.db2.gz BLEWJRDNIJFPNW-MGPQQGTHSA-N 2 1 278.396 2.193 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000423276395 270887124 /nfs/dbraw/zinc/88/71/24/270887124.db2.gz OJLFFFZLOSIORA-BQFCYCMXSA-N 2 1 289.467 2.485 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000423276395 270887126 /nfs/dbraw/zinc/88/71/26/270887126.db2.gz OJLFFFZLOSIORA-BQFCYCMXSA-N 2 1 289.467 2.485 20 0 CEADMP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)C1(C)C ZINC000423285218 270888982 /nfs/dbraw/zinc/88/89/82/270888982.db2.gz YAXCEZRPLKWRGM-BFHYXJOUSA-N 2 1 254.418 2.297 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1C ZINC000423500071 270918469 /nfs/dbraw/zinc/91/84/69/270918469.db2.gz CSRQUOMJFHDLAP-GOEBONIOSA-N 2 1 262.397 2.333 20 0 CEADMP CC[N@@H+](C)CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424153153 271025408 /nfs/dbraw/zinc/02/54/08/271025408.db2.gz JNOOWFMXMABQRQ-OAHLLOKOSA-N 2 1 283.460 2.132 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)C1 ZINC000424258222 271035466 /nfs/dbraw/zinc/03/54/66/271035466.db2.gz BWAOXTOZJBUBLP-ARKGTOAJSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424333570 271047520 /nfs/dbraw/zinc/04/75/20/271047520.db2.gz UNUAKDAYUOXSOM-XLNGHYISSA-N 2 1 274.408 2.010 20 0 CEADMP Cc1ccc(N2CCC([NH2+]C3CCC(O)CC3)CC2)[nH+]c1 ZINC000428251664 271249798 /nfs/dbraw/zinc/24/97/98/271249798.db2.gz XHUYQRHIFJDCLD-UHFFFAOYSA-N 2 1 289.423 2.252 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@]1(C)CCCO1 ZINC000428244117 271250583 /nfs/dbraw/zinc/25/05/83/271250583.db2.gz VDMZJRMVIVFOLE-IUODEOHRSA-N 2 1 252.402 2.160 20 0 CEADMP Cc1ccncc1CCC[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000428453164 271269015 /nfs/dbraw/zinc/26/90/15/271269015.db2.gz AJQZIDGGMXRPNY-OAHLLOKOSA-N 2 1 289.423 2.300 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000430551632 271388880 /nfs/dbraw/zinc/38/88/80/271388880.db2.gz MGWKNUJOZANYFX-QWHCGFSZSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@](C[NH3+])([NH2+]CCCOCCc1ccccc1)C1CC1 ZINC000430594753 271395861 /nfs/dbraw/zinc/39/58/61/271395861.db2.gz VZWUGQPOWNGPLJ-QGZVFWFLSA-N 2 1 276.424 2.353 20 0 CEADMP COC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCC1 ZINC000432422175 271492205 /nfs/dbraw/zinc/49/22/05/271492205.db2.gz SHIMVOAPEUOJNI-RDJZCZTQSA-N 2 1 298.471 2.282 20 0 CEADMP OCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC2(CCC2)C1 ZINC000433058198 271517665 /nfs/dbraw/zinc/51/76/65/271517665.db2.gz JZWRDCAKVIWXGZ-LSDHHAIUSA-N 2 1 278.440 2.146 20 0 CEADMP Cn1c(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[nH+]c2cccc(F)c21 ZINC000443511631 271862662 /nfs/dbraw/zinc/86/26/62/271862662.db2.gz QOGLJWHNUVJKDL-VXGBXAGGSA-N 2 1 290.386 2.419 20 0 CEADMP c1c2c(cc3c1OCCC[C@H]3[NH2+]CC1C[NH2+]C1)CCC2 ZINC000335553517 275063179 /nfs/dbraw/zinc/06/31/79/275063179.db2.gz ZPFBVCRTNCAHBM-MRXNPFEDSA-N 2 1 272.392 2.198 20 0 CEADMP c1ccc2c(c1)CCN[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000414965641 275069685 /nfs/dbraw/zinc/06/96/85/275069685.db2.gz ZUSWCZIGSXNNDE-WJFTUGDTSA-N 2 1 299.462 2.384 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000367635802 275570888 /nfs/dbraw/zinc/57/08/88/275570888.db2.gz MADZCOMTMBWWFG-OAHLLOKOSA-N 2 1 276.428 2.497 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000266608149 276106364 /nfs/dbraw/zinc/10/63/64/276106364.db2.gz URPQTSUWBNJZOI-DOTOQJQBSA-N 2 1 276.424 2.384 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000266608149 276106365 /nfs/dbraw/zinc/10/63/65/276106365.db2.gz URPQTSUWBNJZOI-DOTOQJQBSA-N 2 1 276.424 2.384 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246855083 276148688 /nfs/dbraw/zinc/14/86/88/276148688.db2.gz CFUTYXYGMZVVAQ-HOCLYGCPSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000246855083 276148689 /nfs/dbraw/zinc/14/86/89/276148689.db2.gz CFUTYXYGMZVVAQ-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000236662244 276208533 /nfs/dbraw/zinc/20/85/33/276208533.db2.gz HVLJUWCUIHOEDR-GASCZTMLSA-N 2 1 297.487 2.236 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCOC2)[C@@H](C)C1 ZINC000336721022 276224680 /nfs/dbraw/zinc/22/46/80/276224680.db2.gz XCNSDSKRFRWSIL-KKUMJFAQSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCOC2)[C@@H](C)C1 ZINC000336721022 276224681 /nfs/dbraw/zinc/22/46/81/276224681.db2.gz XCNSDSKRFRWSIL-KKUMJFAQSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCOC2)[C@@H](C)C1 ZINC000336721022 276224684 /nfs/dbraw/zinc/22/46/84/276224684.db2.gz XCNSDSKRFRWSIL-KKUMJFAQSA-N 2 1 254.418 2.075 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000343937717 276232798 /nfs/dbraw/zinc/23/27/98/276232798.db2.gz QAYVMZCWQHJGGA-YCPHGPKFSA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000343937717 276232800 /nfs/dbraw/zinc/23/28/00/276232800.db2.gz QAYVMZCWQHJGGA-YCPHGPKFSA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000343937717 276232801 /nfs/dbraw/zinc/23/28/01/276232801.db2.gz QAYVMZCWQHJGGA-YCPHGPKFSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000193060285 276332272 /nfs/dbraw/zinc/33/22/72/276332272.db2.gz NHAGRVCYHDXZDJ-JKSUJKDBSA-N 2 1 284.444 2.193 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000193060285 276332274 /nfs/dbraw/zinc/33/22/74/276332274.db2.gz NHAGRVCYHDXZDJ-JKSUJKDBSA-N 2 1 284.444 2.193 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000336807867 276360444 /nfs/dbraw/zinc/36/04/44/276360444.db2.gz AIIJZYUUMSKUFC-RYUDHWBXSA-N 2 1 280.334 2.170 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+][C@H]2C[C@H](N)c3ccccc32)CC1 ZINC000226344962 277025539 /nfs/dbraw/zinc/02/55/39/277025539.db2.gz FMLLEGAADIVWLS-HOTGVXAUSA-N 2 1 273.424 2.453 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@@H]3CCC=CO3)C2)CC1 ZINC000377885875 277032903 /nfs/dbraw/zinc/03/29/03/277032903.db2.gz VUJVOFXJHVBTNJ-CVEARBPZSA-N 2 1 264.413 2.343 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@]2(CCOC2)C1 ZINC000334822205 277044216 /nfs/dbraw/zinc/04/42/16/277044216.db2.gz VMVNNGCYMGTOPP-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000334822205 277044218 /nfs/dbraw/zinc/04/42/18/277044218.db2.gz VMVNNGCYMGTOPP-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000334822205 277044220 /nfs/dbraw/zinc/04/42/20/277044220.db2.gz VMVNNGCYMGTOPP-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000312814246 277151539 /nfs/dbraw/zinc/15/15/39/277151539.db2.gz BXVWFFXFWGBLRD-UHFFFAOYSA-N 2 1 279.472 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000348273633 277171960 /nfs/dbraw/zinc/17/19/60/277171960.db2.gz KKAHZTUXQPPSPT-BDXSIMOUSA-N 2 1 288.435 2.052 20 0 CEADMP COC1(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCC1 ZINC000336795330 277183497 /nfs/dbraw/zinc/18/34/97/277183497.db2.gz JSOXADZLOIEPDT-HZSPNIEDSA-N 2 1 254.418 2.264 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000158474944 277283284 /nfs/dbraw/zinc/28/32/84/277283284.db2.gz WMRIMFUHBPJDFQ-CYBMUJFWSA-N 2 1 278.444 2.149 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000158474944 277283285 /nfs/dbraw/zinc/28/32/85/277283285.db2.gz WMRIMFUHBPJDFQ-CYBMUJFWSA-N 2 1 278.444 2.149 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](C)CC2CCOCC2)C1 ZINC000347067482 277283338 /nfs/dbraw/zinc/28/33/38/277283338.db2.gz MUXVIUUKGYDQAG-GDBMZVCRSA-N 2 1 268.445 2.371 20 0 CEADMP CC(C)CC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367685696 277353395 /nfs/dbraw/zinc/35/33/95/277353395.db2.gz RKVQGEVYNGFLNL-MRXNPFEDSA-N 2 1 267.461 2.133 20 0 CEADMP CO[C@]1(C)CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000361410111 277358600 /nfs/dbraw/zinc/35/86/00/277358600.db2.gz KBMLTNIAYLBROR-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@]1(C)CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000361410111 277358601 /nfs/dbraw/zinc/35/86/01/277358601.db2.gz KBMLTNIAYLBROR-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@]1(C)CCC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000361410111 277358604 /nfs/dbraw/zinc/35/86/04/277358604.db2.gz KBMLTNIAYLBROR-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)C[NH+]1CCC(N[C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000177836177 277386722 /nfs/dbraw/zinc/38/67/22/277386722.db2.gz PLMOQQYNAHRGDI-VYDXJSESSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CCO1 ZINC000339429264 278011982 /nfs/dbraw/zinc/01/19/82/278011982.db2.gz RDMPRPXBQSRXDI-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)CCO1 ZINC000339429264 278011985 /nfs/dbraw/zinc/01/19/85/278011985.db2.gz RDMPRPXBQSRXDI-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)CCO1 ZINC000339429264 278011986 /nfs/dbraw/zinc/01/19/86/278011986.db2.gz RDMPRPXBQSRXDI-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)[C@H](C)O1 ZINC000414274002 278013178 /nfs/dbraw/zinc/01/31/78/278013178.db2.gz ZXLJGYAZNGJXEE-ZTYXSZCMSA-N 2 1 266.429 2.262 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000359940519 278211020 /nfs/dbraw/zinc/21/10/20/278211020.db2.gz HNFWYCHRTTTZRW-FPCVCCKLSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000359940519 278211021 /nfs/dbraw/zinc/21/10/21/278211021.db2.gz HNFWYCHRTTTZRW-FPCVCCKLSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000359940519 278211022 /nfs/dbraw/zinc/21/10/22/278211022.db2.gz HNFWYCHRTTTZRW-FPCVCCKLSA-N 2 1 267.461 2.179 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1(C(=O)OC)CCC1 ZINC000354085190 288069657 /nfs/dbraw/zinc/06/96/57/288069657.db2.gz HAUNSEFBGHXASS-MJBXVCDLSA-N 2 1 282.428 2.181 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1(C(=O)OC)CCC1 ZINC000354085190 288069659 /nfs/dbraw/zinc/06/96/59/288069659.db2.gz HAUNSEFBGHXASS-MJBXVCDLSA-N 2 1 282.428 2.181 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000090542758 288107280 /nfs/dbraw/zinc/10/72/80/288107280.db2.gz GEBRWVNBWPAXJM-OXGONZEZSA-N 2 1 298.496 2.359 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000414736365 279179240 /nfs/dbraw/zinc/17/92/40/279179240.db2.gz HRJHDIWSVPISBJ-LSDHHAIUSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@H](c2ccccc2)CO1 ZINC000178975204 288154121 /nfs/dbraw/zinc/15/41/21/288154121.db2.gz OHKLOKCPGLHUDA-PBHICJAKSA-N 2 1 274.408 2.448 20 0 CEADMP CC[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC ZINC000412976683 280140320 /nfs/dbraw/zinc/14/03/20/280140320.db2.gz JWRLTPWSEWSBKS-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC)CCC[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000191818730 280176020 /nfs/dbraw/zinc/17/60/20/280176020.db2.gz UCFSJSBTJGMHNC-UHFFFAOYSA-N 2 1 285.476 2.249 20 0 CEADMP Cc1[nH+]ccc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1Cl ZINC000355677417 280186019 /nfs/dbraw/zinc/18/60/19/280186019.db2.gz UNFMYXCZVOIPAB-MNOVXSKESA-N 2 1 253.777 2.360 20 0 CEADMP CCC[C@H](C(=O)OCC)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000224013186 280213536 /nfs/dbraw/zinc/21/35/36/280213536.db2.gz ATNLHJKCGMRFNV-RRFJBIMHSA-N 2 1 282.428 2.134 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+](C(C)C)C2)[C@@H](C)C1 ZINC000247058169 280319241 /nfs/dbraw/zinc/31/92/41/280319241.db2.gz PIQXPFSYDIWGAX-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](C(C)C)C2)[C@@H](C)C1 ZINC000247058169 280319242 /nfs/dbraw/zinc/31/92/42/280319242.db2.gz PIQXPFSYDIWGAX-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](C(C)C)C2)[C@@H](C)C1 ZINC000247058169 280319243 /nfs/dbraw/zinc/31/92/43/280319243.db2.gz PIQXPFSYDIWGAX-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](C(C)C)C2)[C@@H](C)C1 ZINC000247058169 280319244 /nfs/dbraw/zinc/31/92/44/280319244.db2.gz PIQXPFSYDIWGAX-BBWFWOEESA-N 3 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](C(C)C)C2)[C@@H](C)C1 ZINC000247058169 280319245 /nfs/dbraw/zinc/31/92/45/280319245.db2.gz PIQXPFSYDIWGAX-BBWFWOEESA-N 3 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)[C@@H](C)C1 ZINC000247058169 280319246 /nfs/dbraw/zinc/31/92/46/280319246.db2.gz PIQXPFSYDIWGAX-BBWFWOEESA-N 3 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)[C@@H](C)C1 ZINC000247058169 280319247 /nfs/dbraw/zinc/31/92/47/280319247.db2.gz PIQXPFSYDIWGAX-BBWFWOEESA-N 3 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC000247143396 280321427 /nfs/dbraw/zinc/32/14/27/280321427.db2.gz SLKNTWLGYXHWEM-IXDOHACOSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@H](C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247199262 280322590 /nfs/dbraw/zinc/32/25/90/280322590.db2.gz WYJNNHZBKFGCGG-LEOABGAYSA-N 2 1 295.471 2.237 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+](C(C)C)C(C)C)[C@@H](C)C1 ZINC000247979002 280341648 /nfs/dbraw/zinc/34/16/48/280341648.db2.gz LZUUUHDUUWLYAI-HOTGVXAUSA-N 2 1 269.477 2.425 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000248183077 280343126 /nfs/dbraw/zinc/34/31/26/280343126.db2.gz WTBIPVIWRVZNLS-XNRPHZJLSA-N 2 1 261.413 2.251 20 0 CEADMP CC[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](CC)C2)C1 ZINC000125489362 288232673 /nfs/dbraw/zinc/23/26/73/288232673.db2.gz XRRGVLMGICSKPE-HOTGVXAUSA-N 2 1 268.445 2.467 20 0 CEADMP Cc1cnccc1CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423010243 280992140 /nfs/dbraw/zinc/99/21/40/280992140.db2.gz FZJAIFSZEAZDON-GFCCVEGCSA-N 2 1 256.353 2.091 20 0 CEADMP FC1(F)CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000423013627 280995607 /nfs/dbraw/zinc/99/56/07/280995607.db2.gz NBMJULBGEYZMNY-MCIONIFRSA-N 2 1 288.382 2.311 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423027619 280999230 /nfs/dbraw/zinc/99/92/30/280999230.db2.gz DSIPDDXLSRMEKZ-ULQDDVLXSA-N 2 1 276.424 2.100 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](C)c1nccs1)[C@@H]1CCC[NH2+]1 ZINC000423030651 281001101 /nfs/dbraw/zinc/00/11/01/281001101.db2.gz CDZYPIHEMNZVBM-TUAOUCFPSA-N 2 1 253.415 2.367 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](C)c1nccs1)[C@@H]1CCC[NH2+]1 ZINC000423030653 281001300 /nfs/dbraw/zinc/00/13/00/281001300.db2.gz CDZYPIHEMNZVBM-WOPDTQHZSA-N 2 1 253.415 2.367 20 0 CEADMP C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423050797 281010940 /nfs/dbraw/zinc/01/09/40/281010940.db2.gz ZJFSSYCTTPVPNN-JKQORVJESA-N 2 1 279.472 2.370 20 0 CEADMP C[C@H]([NH2+]C[C@H]1Cc2ccccc2N(C)C1)[C@H]1CCC[NH2+]1 ZINC000423061691 281016388 /nfs/dbraw/zinc/01/63/88/281016388.db2.gz RFMVLOHVFJTCGJ-SQWLQELKSA-N 2 1 273.424 2.025 20 0 CEADMP COc1ccc(F)cc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423062598 281017230 /nfs/dbraw/zinc/01/72/30/281017230.db2.gz NHXFBVGUPBBOPL-SMDDNHRTSA-N 2 1 266.360 2.312 20 0 CEADMP COc1ccc(F)cc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423062596 281017300 /nfs/dbraw/zinc/01/73/00/281017300.db2.gz NHXFBVGUPBBOPL-FZMZJTMJSA-N 2 1 266.360 2.312 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc(OC)c1OC ZINC000423331835 281024917 /nfs/dbraw/zinc/02/49/17/281024917.db2.gz UXBKALZHAOXYAS-MFKMUULPSA-N 2 1 294.395 2.100 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423434690 281040445 /nfs/dbraw/zinc/04/04/45/281040445.db2.gz DHVQMSHWCWUIDF-MXWKQRLJSA-N 2 1 275.396 2.303 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)Nc2cc[nH+]c(N(C)C)c2)cc1 ZINC000423440453 281043576 /nfs/dbraw/zinc/04/35/76/281043576.db2.gz SZEBSTJHZVWKLB-NSHDSACASA-N 2 1 284.363 2.420 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000423518452 281061117 /nfs/dbraw/zinc/06/11/17/281061117.db2.gz OSBANBKWUODVJV-ZBFHGGJFSA-N 2 1 293.480 2.473 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000423768586 281086917 /nfs/dbraw/zinc/08/69/17/281086917.db2.gz BKVGINUCCRUBGA-LSDHHAIUSA-N 2 1 295.471 2.084 20 0 CEADMP COC(=O)CC1CC([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000424266639 281141187 /nfs/dbraw/zinc/14/11/87/281141187.db2.gz LENJQKIVLBDZEX-WLYUNCDWSA-N 2 1 296.455 2.428 20 0 CEADMP COC(=O)CC1CC([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000424266639 281141189 /nfs/dbraw/zinc/14/11/89/281141189.db2.gz LENJQKIVLBDZEX-WLYUNCDWSA-N 2 1 296.455 2.428 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCO[C@@H]3C)CC2)[nH+]1 ZINC000121230204 281225331 /nfs/dbraw/zinc/22/53/31/281225331.db2.gz BPSLRQMBYIIPBM-UKRRQHHQSA-N 2 1 275.396 2.126 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H]3CCOC[C@@H]3C)CC2)[nH+]1 ZINC000195038209 281225561 /nfs/dbraw/zinc/22/55/61/281225561.db2.gz FZYJPLVCZDYDFL-BBRMVZONSA-N 2 1 289.423 2.373 20 0 CEADMP [NH3+]C[C@H]1CCCC[N@@H+]1CCCOCCc1ccccc1 ZINC000430611400 281269254 /nfs/dbraw/zinc/26/92/54/281269254.db2.gz OFXHSIBEDKWRGB-QGZVFWFLSA-N 2 1 276.424 2.449 20 0 CEADMP [NH3+]C[C@H]1CCCC[N@H+]1CCCOCCc1ccccc1 ZINC000430611400 281269257 /nfs/dbraw/zinc/26/92/57/281269257.db2.gz OFXHSIBEDKWRGB-QGZVFWFLSA-N 2 1 276.424 2.449 20 0 CEADMP c1ccc(-c2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)no2)cc1 ZINC000431039338 281287876 /nfs/dbraw/zinc/28/78/76/281287876.db2.gz HVLSQVZQXFSZOW-UHFFFAOYSA-N 2 1 298.390 2.312 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433056146 281363476 /nfs/dbraw/zinc/36/34/76/281363476.db2.gz GNYOQGLWHDXIAD-RBSFLKMASA-N 2 1 280.456 2.248 20 0 CEADMP COCC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCCSC1 ZINC000433189320 281376895 /nfs/dbraw/zinc/37/68/95/281376895.db2.gz RWCDVDVLYVHPPV-CABCVRRESA-N 2 1 286.485 2.315 20 0 CEADMP COCC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCCSC1 ZINC000433189320 281376896 /nfs/dbraw/zinc/37/68/96/281376896.db2.gz RWCDVDVLYVHPPV-CABCVRRESA-N 2 1 286.485 2.315 20 0 CEADMP COCC[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCCSC1 ZINC000433189320 281376897 /nfs/dbraw/zinc/37/68/97/281376897.db2.gz RWCDVDVLYVHPPV-CABCVRRESA-N 2 1 286.485 2.315 20 0 CEADMP CC[N@H+](Cc1ccc(C(=O)OC)o1)[C@H]1CCC[NH2+]CC1 ZINC000435379408 281386456 /nfs/dbraw/zinc/38/64/56/281386456.db2.gz IUJROERMLKGAND-LBPRGKRZSA-N 2 1 280.368 2.030 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)OC)o1)[C@H]1CCC[NH2+]CC1 ZINC000435379408 281386457 /nfs/dbraw/zinc/38/64/57/281386457.db2.gz IUJROERMLKGAND-LBPRGKRZSA-N 2 1 280.368 2.030 20 0 CEADMP C[NH+](C)C1(C[NH2+]C2CCC3(CC3)CC2)CCOCC1 ZINC000362927669 282043244 /nfs/dbraw/zinc/04/32/44/282043244.db2.gz KCVBGORJANXKIY-UHFFFAOYSA-N 2 1 266.429 2.410 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](CC)C1CC1 ZINC000151902037 289071012 /nfs/dbraw/zinc/07/10/12/289071012.db2.gz DQLCGRUAUZREGW-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](CC)C1CC1 ZINC000151902037 289071014 /nfs/dbraw/zinc/07/10/14/289071014.db2.gz DQLCGRUAUZREGW-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](CC)C1CC1 ZINC000151902037 289071015 /nfs/dbraw/zinc/07/10/15/289071015.db2.gz DQLCGRUAUZREGW-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000153667685 289118593 /nfs/dbraw/zinc/11/85/93/289118593.db2.gz SJPFBPSOJLGYCW-ADKAHSJRSA-N 2 1 290.451 2.399 20 0 CEADMP CC1CCC(O)(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000157183287 289209098 /nfs/dbraw/zinc/20/90/98/289209098.db2.gz LJKWVDFDUDOEFY-LVDPKSTMSA-N 2 1 268.445 2.342 20 0 CEADMP CC1CCC(O)(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000157183287 289209099 /nfs/dbraw/zinc/20/90/99/289209099.db2.gz LJKWVDFDUDOEFY-LVDPKSTMSA-N 2 1 268.445 2.342 20 0 CEADMP CC1CCC(O)(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000157183287 289209101 /nfs/dbraw/zinc/20/91/01/289209101.db2.gz LJKWVDFDUDOEFY-LVDPKSTMSA-N 2 1 268.445 2.342 20 0 CEADMP CC1CCC(O)(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000157183287 289209103 /nfs/dbraw/zinc/20/91/03/289209103.db2.gz LJKWVDFDUDOEFY-LVDPKSTMSA-N 2 1 268.445 2.342 20 0 CEADMP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157444122 289214414 /nfs/dbraw/zinc/21/44/14/289214414.db2.gz XBAYBZUKMZVSRS-INIZCTEOSA-N 2 1 290.455 2.487 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157444122 289214418 /nfs/dbraw/zinc/21/44/18/289214418.db2.gz XBAYBZUKMZVSRS-INIZCTEOSA-N 2 1 290.455 2.487 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)c(F)c1 ZINC000401859207 289289044 /nfs/dbraw/zinc/28/90/44/289289044.db2.gz WWHKKKIZSSZABE-NSHDSACASA-N 2 1 277.343 2.461 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCOCC(F)(F)F)CC1 ZINC000377297326 289296367 /nfs/dbraw/zinc/29/63/67/289296367.db2.gz JTSGLGBBFMDDOD-GFCCVEGCSA-N 2 1 282.350 2.372 20 0 CEADMP C[C@H](O)C[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000305659287 290082199 /nfs/dbraw/zinc/08/21/99/290082199.db2.gz XJUJPJYKTFJXSW-LSDHHAIUSA-N 2 1 268.445 2.486 20 0 CEADMP C[C@H](O)C[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000305659287 290082201 /nfs/dbraw/zinc/08/22/01/290082201.db2.gz XJUJPJYKTFJXSW-LSDHHAIUSA-N 2 1 268.445 2.486 20 0 CEADMP C[C@H](O)C[NH+](CC[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000305659287 290082204 /nfs/dbraw/zinc/08/22/04/290082204.db2.gz XJUJPJYKTFJXSW-LSDHHAIUSA-N 2 1 268.445 2.486 20 0 CEADMP C[N@@H+](CCc1cn[nH]c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000459377782 290130655 /nfs/dbraw/zinc/13/06/55/290130655.db2.gz VECVIOXLPFNNAJ-UHFFFAOYSA-N 2 1 299.422 2.196 20 0 CEADMP C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCc2c[nH+]cn2C)C1 ZINC000459380717 290132563 /nfs/dbraw/zinc/13/25/63/290132563.db2.gz QSIXHJYCTGYOKG-XJKSGUPXSA-N 2 1 279.428 2.130 20 0 CEADMP C[C@@H](COCC(F)(F)F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459400823 290137727 /nfs/dbraw/zinc/13/77/27/290137727.db2.gz WWBYZQORGFGUDK-JTQLQIEISA-N 2 1 280.334 2.170 20 0 CEADMP C[C@@H]([NH2+]CCc1cn[nH]c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459405815 290139378 /nfs/dbraw/zinc/13/93/78/290139378.db2.gz NRGOSGKDLJHYNY-HIFRSBDPSA-N 2 1 276.428 2.195 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC1CC[NH+](C2CC2)CC1 ZINC000459416123 290141346 /nfs/dbraw/zinc/14/13/46/290141346.db2.gz QATGLNDACVAUIF-INIZCTEOSA-N 2 1 279.472 2.467 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459426146 290145354 /nfs/dbraw/zinc/14/53/54/290145354.db2.gz IIVDQZAZVKYCPB-UHFFFAOYSA-N 2 1 285.395 2.429 20 0 CEADMP C[NH+](C)C1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCOCC1 ZINC000459448181 290151471 /nfs/dbraw/zinc/15/14/71/290151471.db2.gz RSWROCKFJRTXTR-IRXDYDNUSA-N 2 1 288.435 2.491 20 0 CEADMP COCC[C@@H](Cc1ccco1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459485790 290161956 /nfs/dbraw/zinc/16/19/56/290161956.db2.gz QUQMHAHSPOICJT-HNNXBMFYSA-N 2 1 292.423 2.444 20 0 CEADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1(C)C ZINC000459728891 290218924 /nfs/dbraw/zinc/21/89/24/290218924.db2.gz CSNZXCGVVGXFBN-LXTVHRRPSA-N 2 1 268.445 2.367 20 0 CEADMP CC(C)n1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000459729394 290220066 /nfs/dbraw/zinc/22/00/66/290220066.db2.gz JGZFQROWDAWJAL-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP CCC[NH+]1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459737377 290222118 /nfs/dbraw/zinc/22/21/18/290222118.db2.gz RAZYSZGWEUILRH-OAHLLOKOSA-N 3 1 267.461 2.182 20 0 CEADMP CCCN1CCC([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459737377 290222120 /nfs/dbraw/zinc/22/21/20/290222120.db2.gz RAZYSZGWEUILRH-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP CCCN1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459737377 290222122 /nfs/dbraw/zinc/22/21/22/290222122.db2.gz RAZYSZGWEUILRH-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP CO[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000459753146 290227464 /nfs/dbraw/zinc/22/74/64/290227464.db2.gz KKDDRLVEIIZUJN-BSWAZPDLSA-N 2 1 296.455 2.033 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459798463 290243772 /nfs/dbraw/zinc/24/37/72/290243772.db2.gz UWESQEFKZRUMMD-YESZJQIVSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459798463 290243775 /nfs/dbraw/zinc/24/37/75/290243775.db2.gz UWESQEFKZRUMMD-YESZJQIVSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459798463 290243776 /nfs/dbraw/zinc/24/37/76/290243776.db2.gz UWESQEFKZRUMMD-YESZJQIVSA-N 2 1 280.456 2.344 20 0 CEADMP CCC1(CC)[C@H]([NH2+]CCc2c[nH+]cn2C)C[C@@H]1OC ZINC000471761811 290282292 /nfs/dbraw/zinc/28/22/92/290282292.db2.gz RQURDYZFIGTZEY-KGLIPLIRSA-N 2 1 265.401 2.146 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)C1(C)C ZINC000471769843 290282331 /nfs/dbraw/zinc/28/23/31/290282331.db2.gz NFGCUJMOTZMGCW-ZIAGYGMSSA-N 2 1 265.401 2.144 20 0 CEADMP C[C@@H](C[NH2+]C[C@@H]1CCSC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000486956689 290323771 /nfs/dbraw/zinc/32/37/71/290323771.db2.gz NPMKJNUITIZLDP-RDBSUJKOSA-N 2 1 256.459 2.450 20 0 CEADMP C[C@@H](C[NH2+]C[C@@H]1CCSC1)[N@H+]1CCC[C@@H](C)C1 ZINC000486956689 290323774 /nfs/dbraw/zinc/32/37/74/290323774.db2.gz NPMKJNUITIZLDP-RDBSUJKOSA-N 2 1 256.459 2.450 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)[C@H]2CC2(C)C)CC1 ZINC000486963596 290324662 /nfs/dbraw/zinc/32/46/62/290324662.db2.gz FXTNJOOFAKRSKX-JKSUJKDBSA-N 2 1 281.488 2.428 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C/C=C/c2ccncc2)C1 ZINC000486989411 290327002 /nfs/dbraw/zinc/32/70/02/290327002.db2.gz MBLLOHJIAHWZHU-QDLOVBKTSA-N 2 1 259.397 2.416 20 0 CEADMP COCC[N@@H+](CCCn1ccnc1)[C@H]1CCC[C@@H]1C ZINC000487994500 290372550 /nfs/dbraw/zinc/37/25/50/290372550.db2.gz YIPJWMHUACZVHF-GJZGRUSLSA-N 2 1 265.401 2.410 20 0 CEADMP C[C@@H]1C[C@H]1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000488290571 290387861 /nfs/dbraw/zinc/38/78/61/290387861.db2.gz CGWDVMSTOTVOQF-AIANPOQGSA-N 2 1 280.456 2.464 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488412009 290396382 /nfs/dbraw/zinc/39/63/82/290396382.db2.gz KWWLJIUCIBCVID-ZIAGYGMSSA-N 2 1 288.501 2.465 20 0 CEADMP C[C@H]1C[C@@H]1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000488429692 290398335 /nfs/dbraw/zinc/39/83/35/290398335.db2.gz MPSLMWMUMNDXIS-WMLDXEAASA-N 2 1 274.408 2.264 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000532446155 298144380 /nfs/dbraw/zinc/14/43/80/298144380.db2.gz ZIPWTPYJADFTEW-HRCADAONSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000532446155 298144382 /nfs/dbraw/zinc/14/43/82/298144382.db2.gz ZIPWTPYJADFTEW-HRCADAONSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1[nH+]c2ccccc2c(NCC[N@@H+]2CCO[C@H](C)C2)c1C ZINC000543136292 298302606 /nfs/dbraw/zinc/30/26/06/298302606.db2.gz QCGXHODNDSQGHP-CYBMUJFWSA-N 2 1 299.418 2.406 20 0 CEADMP Cc1[nH+]c2ccccc2c(NCC[N@H+]2CCO[C@H](C)C2)c1C ZINC000543136292 298302609 /nfs/dbraw/zinc/30/26/09/298302609.db2.gz QCGXHODNDSQGHP-CYBMUJFWSA-N 2 1 299.418 2.406 20 0 CEADMP CC1CC([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000546645689 298355005 /nfs/dbraw/zinc/35/50/05/298355005.db2.gz HANOZBKZEUFDPO-YMAMQOFZSA-N 2 1 293.480 2.425 20 0 CEADMP CCCNC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000567286771 299049677 /nfs/dbraw/zinc/04/96/77/299049677.db2.gz WJHOPTNRBXDERG-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCNC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000567286771 299049679 /nfs/dbraw/zinc/04/96/79/299049679.db2.gz WJHOPTNRBXDERG-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCNC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000567286771 299049680 /nfs/dbraw/zinc/04/96/80/299049680.db2.gz WJHOPTNRBXDERG-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000179910191 312758107 /nfs/dbraw/zinc/75/81/07/312758107.db2.gz QZEIGWMPDIEGDF-HNNXBMFYSA-N 2 1 297.487 2.201 20 0 CEADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000181752105 312797174 /nfs/dbraw/zinc/79/71/74/312797174.db2.gz NJYFMDMLMYCZCA-LSDHHAIUSA-N 2 1 298.471 2.281 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccn2)c2ccccc21 ZINC000516450521 313089606 /nfs/dbraw/zinc/08/96/06/313089606.db2.gz YJRKHZHMZNWORL-HUUCEWRRSA-N 2 1 296.374 2.145 20 0 CEADMP [NH3+][C@@H]1CCC[C@H](NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000517588891 313112434 /nfs/dbraw/zinc/11/24/34/313112434.db2.gz UJDXVLFDLLZKQR-CABCVRRESA-N 2 1 297.512 2.208 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000518471451 313114916 /nfs/dbraw/zinc/11/49/16/313114916.db2.gz BOWLGBQGKNTBBK-DOTOQJQBSA-N 2 1 292.423 2.145 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000518471451 313114919 /nfs/dbraw/zinc/11/49/19/313114919.db2.gz BOWLGBQGKNTBBK-DOTOQJQBSA-N 2 1 292.423 2.145 20 0 CEADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccn1 ZINC000527540479 313183341 /nfs/dbraw/zinc/18/33/41/313183341.db2.gz YTNUGAKQEDZLNI-IXDOHACOSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccn1 ZINC000527540479 313183344 /nfs/dbraw/zinc/18/33/44/313183344.db2.gz YTNUGAKQEDZLNI-IXDOHACOSA-N 2 1 289.423 2.074 20 0 CEADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000571276219 314081143 /nfs/dbraw/zinc/08/11/43/314081143.db2.gz VDDRCOLZYYBRDI-GVDBMIGSSA-N 2 1 286.419 2.291 20 0 CEADMP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000573912472 314181246 /nfs/dbraw/zinc/18/12/46/314181246.db2.gz VOEOSKNNFKJKPN-KBPBESRZSA-N 2 1 266.429 2.313 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000574126342 314188055 /nfs/dbraw/zinc/18/80/55/314188055.db2.gz INXYUQTWDBCMDQ-KGLIPLIRSA-N 2 1 287.411 2.012 20 0 CEADMP CC1(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000574223262 314199330 /nfs/dbraw/zinc/19/93/30/314199330.db2.gz CTRXRCJNIFIXCJ-UHFFFAOYSA-N 2 1 274.408 2.409 20 0 CEADMP COc1ccccc1/C=C\C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000576107401 314242064 /nfs/dbraw/zinc/24/20/64/314242064.db2.gz MPONBLFWJITAJR-PODYEWJSSA-N 2 1 260.381 2.379 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000576107401 314242065 /nfs/dbraw/zinc/24/20/65/314242065.db2.gz MPONBLFWJITAJR-PODYEWJSSA-N 2 1 260.381 2.379 20 0 CEADMP COc1ccc2c(c1)CCC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000576107945 314242072 /nfs/dbraw/zinc/24/20/72/314242072.db2.gz FEBOIPHARUUPNM-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ncccc2F)c2ccccc21 ZINC000576576160 314288827 /nfs/dbraw/zinc/28/88/27/314288827.db2.gz MUUSWDBXTXIVQN-GJZGRUSLSA-N 2 1 287.338 2.334 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000576716455 314304489 /nfs/dbraw/zinc/30/44/89/314304489.db2.gz YLMHSCGSARAQFZ-ROUUACIJSA-N 2 1 290.451 2.254 20 0 CEADMP CC(C)n1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000577499416 314383399 /nfs/dbraw/zinc/38/33/99/314383399.db2.gz HNRZSIXWKRBXAK-GXTWGEPZSA-N 2 1 250.390 2.071 20 0 CEADMP C[NH+]1CCN(C[C@H]([NH2+]CC2(F)CC2)c2ccccc2)CC1 ZINC000581106445 322369228 /nfs/dbraw/zinc/36/92/28/322369228.db2.gz GGOHMCIJICYVOG-INIZCTEOSA-N 2 1 291.414 2.067 20 0 CEADMP CC(C)Cn1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cn1 ZINC000414971571 500613127 /nfs/dbraw/zinc/61/31/27/500613127.db2.gz LPHQCKZHPODFNV-AWEZNQCLSA-N 2 1 264.417 2.017 20 0 CEADMP C[C@H]([NH2+]C1CC1)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000414493620 533804472 /nfs/dbraw/zinc/80/44/72/533804472.db2.gz YJGPYCMLPXWPBD-VIFPVBQESA-N 2 1 258.325 2.008 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000155459770 519739887 /nfs/dbraw/zinc/73/98/87/519739887.db2.gz LEXNEAOPRRCZOI-LRDDRELGSA-N 2 1 275.396 2.075 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000155459770 519739888 /nfs/dbraw/zinc/73/98/88/519739888.db2.gz LEXNEAOPRRCZOI-LRDDRELGSA-N 2 1 275.396 2.075 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000157484622 522040731 /nfs/dbraw/zinc/04/07/31/522040731.db2.gz DLPKFMZYXCTQRF-JKSUJKDBSA-N 2 1 288.391 2.190 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000157484622 522040739 /nfs/dbraw/zinc/04/07/39/522040739.db2.gz DLPKFMZYXCTQRF-JKSUJKDBSA-N 2 1 288.391 2.190 20 0 CEADMP COc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1C ZINC000161718396 522337724 /nfs/dbraw/zinc/33/77/24/522337724.db2.gz HMAISXKMLOIZTC-GOEBONIOSA-N 2 1 276.424 2.476 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1C ZINC000161790096 522476035 /nfs/dbraw/zinc/47/60/35/522476035.db2.gz FMRSGSNAZTWRBY-DZGCQCFKSA-N 2 1 262.397 2.433 20 0 CEADMP C[N@@H+](CCOC(C)(C)C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363657048 522886004 /nfs/dbraw/zinc/88/60/04/522886004.db2.gz TWAMUNQAPCFSNT-UHFFFAOYSA-N 2 1 298.471 2.377 20 0 CEADMP CCn1nc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c2ccccc21 ZINC000163905155 523676474 /nfs/dbraw/zinc/67/64/74/523676474.db2.gz HYMNYQQFDMPBPD-UONOGXRCSA-N 2 1 286.423 2.473 20 0 CEADMP CCn1nc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c2ccccc21 ZINC000163905155 523676487 /nfs/dbraw/zinc/67/64/87/523676487.db2.gz HYMNYQQFDMPBPD-UONOGXRCSA-N 2 1 286.423 2.473 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnoc3C3CC3)CC[C@H]21 ZINC000363481077 523832956 /nfs/dbraw/zinc/83/29/56/523832956.db2.gz PWPHTYJXHNBRQF-UKRRQHHQSA-N 2 1 275.396 2.468 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnoc3C3CC3)CC[C@H]21 ZINC000363481077 523832962 /nfs/dbraw/zinc/83/29/62/523832962.db2.gz PWPHTYJXHNBRQF-UKRRQHHQSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnoc3C3CC3)CC[C@H]21 ZINC000363481077 523832968 /nfs/dbraw/zinc/83/29/68/523832968.db2.gz PWPHTYJXHNBRQF-UKRRQHHQSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnoc3C3CC3)CC[C@H]21 ZINC000363481077 523832973 /nfs/dbraw/zinc/83/29/73/523832973.db2.gz PWPHTYJXHNBRQF-UKRRQHHQSA-N 2 1 275.396 2.468 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnoc3C3CC3)CC[C@@H]21 ZINC000363481076 523834600 /nfs/dbraw/zinc/83/46/00/523834600.db2.gz PWPHTYJXHNBRQF-HIFRSBDPSA-N 2 1 275.396 2.468 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnoc3C3CC3)CC[C@@H]21 ZINC000363481076 523834604 /nfs/dbraw/zinc/83/46/04/523834604.db2.gz PWPHTYJXHNBRQF-HIFRSBDPSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnoc3C3CC3)CC[C@@H]21 ZINC000363481076 523834607 /nfs/dbraw/zinc/83/46/07/523834607.db2.gz PWPHTYJXHNBRQF-HIFRSBDPSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnoc3C3CC3)CC[C@@H]21 ZINC000363481076 523834610 /nfs/dbraw/zinc/83/46/10/523834610.db2.gz PWPHTYJXHNBRQF-HIFRSBDPSA-N 2 1 275.396 2.468 20 0 CEADMP Cc1cc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC000364910970 526111325 /nfs/dbraw/zinc/11/13/25/526111325.db2.gz WQIVBJINCFLKSX-RHSMWYFYSA-N 2 1 299.422 2.040 20 0 CEADMP Cc1cnn(C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000363458898 526254603 /nfs/dbraw/zinc/25/46/03/526254603.db2.gz CXAGESPRNNYQKB-OAHLLOKOSA-N 2 1 276.428 2.313 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(NC[C@@H](C)C[NH+]2CCCC2)n1 ZINC000364918757 527382546 /nfs/dbraw/zinc/38/25/46/527382546.db2.gz WGMDMACJXFEMEL-CQSZACIVSA-N 2 1 299.422 2.141 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000365192284 527403729 /nfs/dbraw/zinc/40/37/29/527403729.db2.gz PSGFDUKWKXGPCY-LSDHHAIUSA-N 2 1 263.385 2.129 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000418207991 527984304 /nfs/dbraw/zinc/98/43/04/527984304.db2.gz VIIBERGIRJJYEP-ILXRZTDVSA-N 2 1 298.475 2.018 20 0 CEADMP CCN(CC)C(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116396142 528058411 /nfs/dbraw/zinc/05/84/11/528058411.db2.gz XRAMXKSZIGNSKB-UONOGXRCSA-N 2 1 285.476 2.199 20 0 CEADMP CCOc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1F ZINC000414894874 528457776 /nfs/dbraw/zinc/45/77/76/528457776.db2.gz UVDKFOKOONYFTG-CYBMUJFWSA-N 2 1 252.333 2.051 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnn2C)C1 ZINC000192830862 529015387 /nfs/dbraw/zinc/01/53/87/529015387.db2.gz XXRIORHUVXRVJV-KBPBESRZSA-N 2 1 264.417 2.191 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnn2C)C1 ZINC000192830862 529015389 /nfs/dbraw/zinc/01/53/89/529015389.db2.gz XXRIORHUVXRVJV-KBPBESRZSA-N 2 1 264.417 2.191 20 0 CEADMP CCc1cccc(F)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357056209 529174030 /nfs/dbraw/zinc/17/40/30/529174030.db2.gz SDGBIXOAQAJOIG-UONOGXRCSA-N 2 1 262.372 2.429 20 0 CEADMP CCc1cccc(F)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357056209 529174033 /nfs/dbraw/zinc/17/40/33/529174033.db2.gz SDGBIXOAQAJOIG-UONOGXRCSA-N 2 1 262.372 2.429 20 0 CEADMP CC(C)Oc1cccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313359582 535038344 /nfs/dbraw/zinc/03/83/44/535038344.db2.gz RTKISDKDPXHMBL-MRXNPFEDSA-N 2 1 278.396 2.023 20 0 CEADMP CC(C)Oc1cccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313359582 535038350 /nfs/dbraw/zinc/03/83/50/535038350.db2.gz RTKISDKDPXHMBL-MRXNPFEDSA-N 2 1 278.396 2.023 20 0 CEADMP CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C1CCC1 ZINC000324815114 538889888 /nfs/dbraw/zinc/88/98/88/538889888.db2.gz ULRUDIWIHSBAKE-GJZGRUSLSA-N 2 1 256.434 2.246 20 0 CEADMP CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C1CCC1 ZINC000324815117 538889901 /nfs/dbraw/zinc/88/99/01/538889901.db2.gz ULRUDIWIHSBAKE-LSDHHAIUSA-N 2 1 256.434 2.246 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000731871014 574604512 /nfs/dbraw/zinc/60/45/12/574604512.db2.gz CIAUKBSSFDGGFM-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000731871014 574604513 /nfs/dbraw/zinc/60/45/13/574604513.db2.gz CIAUKBSSFDGGFM-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000731871014 574604514 /nfs/dbraw/zinc/60/45/14/574604514.db2.gz CIAUKBSSFDGGFM-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000734487844 574715236 /nfs/dbraw/zinc/71/52/36/574715236.db2.gz WRIWMFIPZCLFLL-HNNXBMFYSA-N 2 1 293.480 2.002 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000743273463 575045681 /nfs/dbraw/zinc/04/56/81/575045681.db2.gz RAYXDWBBHXBKMM-OWCLPIDISA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000743273463 575045684 /nfs/dbraw/zinc/04/56/84/575045684.db2.gz RAYXDWBBHXBKMM-OWCLPIDISA-N 2 1 268.445 2.344 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCCCCO)C1 ZINC000750185581 575253399 /nfs/dbraw/zinc/25/33/99/575253399.db2.gz OSOWJAYOHMWMCT-INIZCTEOSA-N 2 1 268.445 2.203 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCCCCO)C1 ZINC000750185581 575253401 /nfs/dbraw/zinc/25/34/01/575253401.db2.gz OSOWJAYOHMWMCT-INIZCTEOSA-N 2 1 268.445 2.203 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCCCCO)C1 ZINC000750185581 575253403 /nfs/dbraw/zinc/25/34/03/575253403.db2.gz OSOWJAYOHMWMCT-INIZCTEOSA-N 2 1 268.445 2.203 20 0 CEADMP CC(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948040266 614037658 /nfs/dbraw/zinc/03/76/58/614037658.db2.gz OHZNQFRZUOJDAB-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000981147410 614089032 /nfs/dbraw/zinc/08/90/32/614089032.db2.gz SBEKMONITAHDBU-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981147410 614089034 /nfs/dbraw/zinc/08/90/34/614089034.db2.gz SBEKMONITAHDBU-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981147410 614089035 /nfs/dbraw/zinc/08/90/35/614089035.db2.gz SBEKMONITAHDBU-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000971538555 614527648 /nfs/dbraw/zinc/52/76/48/614527648.db2.gz DXHPVPKDMFLZDE-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC000971842985 614532753 /nfs/dbraw/zinc/53/27/53/614532753.db2.gz FFDSOMUVVHBKLB-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000971842985 614532755 /nfs/dbraw/zinc/53/27/55/614532755.db2.gz FFDSOMUVVHBKLB-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971842985 614532759 /nfs/dbraw/zinc/53/27/59/614532759.db2.gz FFDSOMUVVHBKLB-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000960911013 614874273 /nfs/dbraw/zinc/87/42/73/614874273.db2.gz YZPRPGBUCJILRG-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000960911013 614874276 /nfs/dbraw/zinc/87/42/76/614874276.db2.gz YZPRPGBUCJILRG-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980485094 614909286 /nfs/dbraw/zinc/90/92/86/614909286.db2.gz FYVLYJJXGARQEU-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000969653818 614973469 /nfs/dbraw/zinc/97/34/69/614973469.db2.gz MOXQRKVKFVOTJZ-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000969144385 614978264 /nfs/dbraw/zinc/97/82/64/614978264.db2.gz KTBCMWDCKNCVQJ-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000969144385 614978266 /nfs/dbraw/zinc/97/82/66/614978266.db2.gz KTBCMWDCKNCVQJ-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969144385 614978269 /nfs/dbraw/zinc/97/82/69/614978269.db2.gz KTBCMWDCKNCVQJ-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000963838107 615076557 /nfs/dbraw/zinc/07/65/57/615076557.db2.gz QUKZLGRRABSKJT-FXQLRMTLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](CC)C(C)C)CC1)[NH+](C)C ZINC000957753546 615368591 /nfs/dbraw/zinc/36/85/91/615368591.db2.gz VHXKWCYYLUDLDA-INIZCTEOSA-N 2 1 297.487 2.296 20 0 CEADMP CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000974583022 615412989 /nfs/dbraw/zinc/41/29/89/615412989.db2.gz NBLJMLBVHNMFMR-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000981895749 615438934 /nfs/dbraw/zinc/43/89/34/615438934.db2.gz SAJWNEJCQPEGCL-HZPDHXFCSA-N 2 1 297.487 2.153 20 0 CEADMP CC[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001024017876 625296342 /nfs/dbraw/zinc/29/63/42/625296342.db2.gz INGNHXBUDSJUBV-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)C(C)(C)C[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000892430866 625392860 /nfs/dbraw/zinc/39/28/60/625392860.db2.gz LVADAJZWDLLKND-ONGXEEELSA-N 2 1 263.223 2.090 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179421733 625429781 /nfs/dbraw/zinc/42/97/81/625429781.db2.gz JFSWICAISUCSSF-HNNXBMFYSA-N 2 1 293.411 2.057 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179421733 625429787 /nfs/dbraw/zinc/42/97/87/625429787.db2.gz JFSWICAISUCSSF-HNNXBMFYSA-N 2 1 293.411 2.057 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(F)nc2)C1 ZINC000858244995 622553333 /nfs/dbraw/zinc/55/33/33/622553333.db2.gz ACTLRVRWCOYDMR-ZDUSSCGKSA-N 2 1 251.349 2.042 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(F)nc2)C1 ZINC000858244995 622553339 /nfs/dbraw/zinc/55/33/39/622553339.db2.gz ACTLRVRWCOYDMR-ZDUSSCGKSA-N 2 1 251.349 2.042 20 0 CEADMP C[C@@H]1CC[NH+](CCCCC[N@H+]2CCO[C@H](C)CC2)CCO1 ZINC000932339896 622628241 /nfs/dbraw/zinc/62/82/41/622628241.db2.gz DVECYXLUDOOZLC-IAGOWNOFSA-N 2 1 298.471 2.378 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000846220049 623360341 /nfs/dbraw/zinc/36/03/41/623360341.db2.gz KCZDLKPKARCYHF-INIZCTEOSA-N 3 1 267.461 2.313 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000050247669 623373019 /nfs/dbraw/zinc/37/30/19/623373019.db2.gz OGARXMFGOQHQHO-LBPRGKRZSA-N 2 1 257.337 2.122 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000050247669 623373027 /nfs/dbraw/zinc/37/30/27/623373027.db2.gz OGARXMFGOQHQHO-LBPRGKRZSA-N 2 1 257.337 2.122 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1cccs1 ZINC000932928357 623395619 /nfs/dbraw/zinc/39/56/19/623395619.db2.gz ZXEILFGLCQRXFK-HOCLYGCPSA-N 2 1 296.480 2.458 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC000932928357 623395624 /nfs/dbraw/zinc/39/56/24/623395624.db2.gz ZXEILFGLCQRXFK-HOCLYGCPSA-N 2 1 296.480 2.458 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC000932928357 623395625 /nfs/dbraw/zinc/39/56/25/623395625.db2.gz ZXEILFGLCQRXFK-HOCLYGCPSA-N 2 1 296.480 2.458 20 0 CEADMP CCn1nc(C)c(C[N@@H+](C)C2CCC([NH3+])CC2)c1C ZINC000307968917 623516288 /nfs/dbraw/zinc/51/62/88/623516288.db2.gz XPNLDMYFFAGSJA-UHFFFAOYSA-N 2 1 264.417 2.222 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C12CCC2 ZINC000308342819 623666450 /nfs/dbraw/zinc/66/64/50/623666450.db2.gz KBRUUZBIAZQWHM-CBBWQLFWSA-N 2 1 264.413 2.160 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C12CCC2 ZINC000308342819 623666454 /nfs/dbraw/zinc/66/64/54/623666454.db2.gz KBRUUZBIAZQWHM-CBBWQLFWSA-N 2 1 264.413 2.160 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000308341189 623666536 /nfs/dbraw/zinc/66/65/36/623666536.db2.gz INXDUQNXTWOPJP-BPLDGKMQSA-N 2 1 264.413 2.018 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C12CCC2 ZINC000308360509 623674116 /nfs/dbraw/zinc/67/41/16/623674116.db2.gz GGGCXYUKMFXFTO-RRFJBIMHSA-N 2 1 266.429 2.264 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C12CCC2 ZINC000308384895 623675410 /nfs/dbraw/zinc/67/54/10/623675410.db2.gz ZWNFTWDDNAXAHY-ZIAGYGMSSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)OC3(C)C)C[C@]2(C)C1 ZINC000933735592 623984501 /nfs/dbraw/zinc/98/45/01/623984501.db2.gz YOAKRKOVXFDSKZ-VBQJREDUSA-N 2 1 280.456 2.464 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)OC3(C)C)C[C@]2(C)C1 ZINC000933735592 623984503 /nfs/dbraw/zinc/98/45/03/623984503.db2.gz YOAKRKOVXFDSKZ-VBQJREDUSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743153 623990100 /nfs/dbraw/zinc/99/01/00/623990100.db2.gz LIVRTTHCWBBQHX-LTIDMASMSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743153 623990105 /nfs/dbraw/zinc/99/01/05/623990105.db2.gz LIVRTTHCWBBQHX-LTIDMASMSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933743153 623990109 /nfs/dbraw/zinc/99/01/09/623990109.db2.gz LIVRTTHCWBBQHX-LTIDMASMSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933743153 623990111 /nfs/dbraw/zinc/99/01/11/623990111.db2.gz LIVRTTHCWBBQHX-LTIDMASMSA-N 2 1 280.456 2.465 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H](N3CCCC3)C2)CC1 ZINC000891872424 624049356 /nfs/dbraw/zinc/04/93/56/624049356.db2.gz QFVFZEUYTMRFNM-QGZVFWFLSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC(CN2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000891872424 624049360 /nfs/dbraw/zinc/04/93/60/624049360.db2.gz QFVFZEUYTMRFNM-QGZVFWFLSA-N 2 1 279.472 2.279 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CCCO1 ZINC000926287866 624081016 /nfs/dbraw/zinc/08/10/16/624081016.db2.gz QOZPDVQPDIIOQS-TWMKSMIVSA-N 2 1 278.440 2.432 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CCCO1 ZINC000926287866 624081023 /nfs/dbraw/zinc/08/10/23/624081023.db2.gz QOZPDVQPDIIOQS-TWMKSMIVSA-N 2 1 278.440 2.432 20 0 CEADMP COC(=O)C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC000934030231 624175056 /nfs/dbraw/zinc/17/50/56/624175056.db2.gz BSTXPGJQIJLZBU-QWHCGFSZSA-N 2 1 270.417 2.038 20 0 CEADMP COC1CCC(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000892033475 624264007 /nfs/dbraw/zinc/26/40/07/624264007.db2.gz FSOWOGLFFKWPEP-SLTAFYQDSA-N 2 1 254.418 2.075 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(C)(C)C ZINC000848984648 624519055 /nfs/dbraw/zinc/51/90/55/624519055.db2.gz OOYPAUGEMKCVMA-LBPRGKRZSA-N 2 1 254.422 2.021 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000743854454 624928502 /nfs/dbraw/zinc/92/85/02/624928502.db2.gz XTMNHNROBHOMDM-QXSJWSMHSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000743854454 624928503 /nfs/dbraw/zinc/92/85/03/624928503.db2.gz XTMNHNROBHOMDM-QXSJWSMHSA-N 2 1 266.429 2.096 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C2CC2)C1 ZINC000782191626 625052766 /nfs/dbraw/zinc/05/27/66/625052766.db2.gz XXUXENFAUAXHEH-HIFRSBDPSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(F)c(C)c1 ZINC000892510781 625743567 /nfs/dbraw/zinc/74/35/67/625743567.db2.gz UQULLHJMDBLGCC-NSHDSACASA-N 2 1 276.359 2.460 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000892517605 625877781 /nfs/dbraw/zinc/87/77/81/625877781.db2.gz PXLMHMNNPYRMGB-RYUDHWBXSA-N 2 1 277.250 2.480 20 0 CEADMP CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001025008749 625946526 /nfs/dbraw/zinc/94/65/26/625946526.db2.gz AMXVGDDFKPKDND-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]CCc1ccc(F)c(F)c1 ZINC000892559254 627271394 /nfs/dbraw/zinc/27/13/94/627271394.db2.gz KMWFOZHUKFSCRZ-UHFFFAOYSA-N 2 1 286.366 2.065 20 0 CEADMP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025084443 627319511 /nfs/dbraw/zinc/31/95/11/627319511.db2.gz XJTYVSQJTNJXSO-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902320531 634569466 /nfs/dbraw/zinc/56/94/66/634569466.db2.gz QCFMWSSJWRPDSU-CQSZACIVSA-N 3 1 255.450 2.086 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000902375683 634605905 /nfs/dbraw/zinc/60/59/05/634605905.db2.gz JSDBOGUPFWIUAL-GOEBONIOSA-N 2 1 279.472 2.371 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000902375683 634605907 /nfs/dbraw/zinc/60/59/07/634605907.db2.gz JSDBOGUPFWIUAL-GOEBONIOSA-N 2 1 279.472 2.371 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000226542823 627828082 /nfs/dbraw/zinc/82/80/82/627828082.db2.gz UBYXITKADORWKI-YJNKXOJESA-N 2 1 252.402 2.160 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000226542823 627828087 /nfs/dbraw/zinc/82/80/87/627828087.db2.gz UBYXITKADORWKI-YJNKXOJESA-N 2 1 252.402 2.160 20 0 CEADMP CC(C)CC(=O)CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852762831 627887455 /nfs/dbraw/zinc/88/74/55/627887455.db2.gz XNQFMRFDOGYYCS-MRXNPFEDSA-N 2 1 284.444 2.034 20 0 CEADMP CC(C)CC(=O)CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852762831 627887458 /nfs/dbraw/zinc/88/74/58/627887458.db2.gz XNQFMRFDOGYYCS-MRXNPFEDSA-N 2 1 284.444 2.034 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C12CCC2 ZINC000925515339 628053185 /nfs/dbraw/zinc/05/31/85/628053185.db2.gz HSLCLYARSRKAMH-JHJVBQTASA-N 2 1 252.402 2.064 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@H]1CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384227 634628251 /nfs/dbraw/zinc/62/82/51/634628251.db2.gz OUEVJBPVBDJITE-HUUCEWRRSA-N 2 1 281.488 2.475 20 0 CEADMP CN1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384227 634628254 /nfs/dbraw/zinc/62/82/54/634628254.db2.gz OUEVJBPVBDJITE-HUUCEWRRSA-N 2 1 281.488 2.475 20 0 CEADMP CCCc1ncc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000902385914 634628866 /nfs/dbraw/zinc/62/88/66/634628866.db2.gz BYBFMCDGAYTAEK-GFCCVEGCSA-N 2 1 265.401 2.495 20 0 CEADMP CCCc1ncc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000902385916 634629360 /nfs/dbraw/zinc/62/93/60/634629360.db2.gz BYBFMCDGAYTAEK-LBPRGKRZSA-N 2 1 265.401 2.495 20 0 CEADMP C[C@@H](C[NH3+])CN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902393194 634632469 /nfs/dbraw/zinc/63/24/69/634632469.db2.gz NKMLJIMJJDYADT-NHYWBVRUSA-N 2 1 285.382 2.319 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000902393391 634632724 /nfs/dbraw/zinc/63/27/24/634632724.db2.gz QMKDJNZNRWINFG-XHSDSOJGSA-N 2 1 279.472 2.371 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000902393391 634632729 /nfs/dbraw/zinc/63/27/29/634632729.db2.gz QMKDJNZNRWINFG-XHSDSOJGSA-N 2 1 279.472 2.371 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394118 634633392 /nfs/dbraw/zinc/63/33/92/634633392.db2.gz WHFQTRDGAVGPMO-OAHLLOKOSA-N 3 1 269.477 2.332 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394118 634633396 /nfs/dbraw/zinc/63/33/96/634633396.db2.gz WHFQTRDGAVGPMO-OAHLLOKOSA-N 3 1 269.477 2.332 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394118 634633400 /nfs/dbraw/zinc/63/34/00/634633400.db2.gz WHFQTRDGAVGPMO-OAHLLOKOSA-N 3 1 269.477 2.332 20 0 CEADMP C[C@H](CN1CCC(C)CC1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902400323 634636859 /nfs/dbraw/zinc/63/68/59/634636859.db2.gz QBNKAHHVPCQLOP-CVEARBPZSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000902415323 634641256 /nfs/dbraw/zinc/64/12/56/634641256.db2.gz DNWCTWKLJSRXFB-NSHDSACASA-N 2 1 288.395 2.112 20 0 CEADMP c1ccc([C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[C@H]2CCOC2)cc1 ZINC000925613247 628296610 /nfs/dbraw/zinc/29/66/10/628296610.db2.gz BKXNMCPUGLBLEY-LWWDEJTHSA-N 2 1 298.430 2.350 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000925615536 628300244 /nfs/dbraw/zinc/30/02/44/628300244.db2.gz OAFXXWZTSSONIR-MRXNPFEDSA-N 2 1 288.439 2.028 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)nc2)C1 ZINC000189138696 628304681 /nfs/dbraw/zinc/30/46/81/628304681.db2.gz YVKBXILVRNWMEY-QWHCGFSZSA-N 2 1 251.349 2.183 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)[C@H]1c1ccccc1 ZINC000925631062 628325647 /nfs/dbraw/zinc/32/56/47/628325647.db2.gz UAMIUZWGOQNICH-MWDXBVQZSA-N 2 1 285.435 2.291 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CCC(C)(C)CO1 ZINC000902428717 634650042 /nfs/dbraw/zinc/65/00/42/634650042.db2.gz HAAPOFSUMMOTBK-MJBXVCDLSA-N 2 1 254.418 2.312 20 0 CEADMP CC[NH2+]C1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001026507314 628340967 /nfs/dbraw/zinc/34/09/67/628340967.db2.gz PGJCUSFGOIHOHV-UYSNPLJNSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)[C@H]1CCCC[NH2+]1 ZINC000902430142 634651516 /nfs/dbraw/zinc/65/15/16/634651516.db2.gz OYIXBZGSNGQCAO-ZGKBOVNRSA-N 2 1 252.402 2.064 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000902432790 634654330 /nfs/dbraw/zinc/65/43/30/634654330.db2.gz PXMXVSFETSFDQI-CVEARBPZSA-N 2 1 276.428 2.433 20 0 CEADMP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[NH2+]C13CCCC3)CN2 ZINC000925703980 628547203 /nfs/dbraw/zinc/54/72/03/628547203.db2.gz WQSXTHIABTUINM-GOEBONIOSA-N 2 1 271.408 2.288 20 0 CEADMP c1ccc([C@@H]2CO[C@H](C[NH2+][C@@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000925708987 628557009 /nfs/dbraw/zinc/55/70/09/628557009.db2.gz MRFKWKXCWHYWRW-YESZJQIVSA-N 2 1 286.419 2.433 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473425 634665758 /nfs/dbraw/zinc/66/57/58/634665758.db2.gz YBISOMJAZHGNPJ-GYFISPQKSA-N 2 1 299.462 2.380 20 0 CEADMP CN(C)c1cccc(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c1 ZINC000931435071 628578688 /nfs/dbraw/zinc/57/86/88/628578688.db2.gz GBUIPIBHWCWPIW-JKSUJKDBSA-N 2 1 273.424 2.136 20 0 CEADMP CN(C)c1cccc(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1 ZINC000931435071 628578691 /nfs/dbraw/zinc/57/86/91/628578691.db2.gz GBUIPIBHWCWPIW-JKSUJKDBSA-N 2 1 273.424 2.136 20 0 CEADMP CN(C)c1cccc(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1 ZINC000931435071 628578695 /nfs/dbraw/zinc/57/86/95/628578695.db2.gz GBUIPIBHWCWPIW-JKSUJKDBSA-N 2 1 273.424 2.136 20 0 CEADMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[NH2+][C@H]2C)nc1 ZINC000925717629 628580022 /nfs/dbraw/zinc/58/00/22/628580022.db2.gz CBMNWBLGEIKUGH-UONOGXRCSA-N 2 1 261.413 2.398 20 0 CEADMP c1ccc(C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2CC2)cc1 ZINC000902474604 634666539 /nfs/dbraw/zinc/66/65/39/634666539.db2.gz GDKAXMQTKIUUPL-YYIAUSFCSA-N 2 1 256.393 2.490 20 0 CEADMP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(C)C ZINC000902474641 634666582 /nfs/dbraw/zinc/66/65/82/634666582.db2.gz HBWDJPNNFPXDAI-XLWJZTARSA-N 2 1 266.429 2.453 20 0 CEADMP C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902475363 634666783 /nfs/dbraw/zinc/66/67/83/634666783.db2.gz JSVZFTLQJUXZSE-LZBKUMLDSA-N 2 1 299.462 2.380 20 0 CEADMP Fc1cccc(CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257666232 628598350 /nfs/dbraw/zinc/59/83/50/628598350.db2.gz HHQCGBOTXXNHLR-INIZCTEOSA-N 2 1 262.372 2.444 20 0 CEADMP Fc1cccc(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257666232 628598352 /nfs/dbraw/zinc/59/83/52/628598352.db2.gz HHQCGBOTXXNHLR-INIZCTEOSA-N 2 1 262.372 2.444 20 0 CEADMP CC1(C)C[C@@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)C[C@@H]([NH3+])C1 ZINC000925726574 628642183 /nfs/dbraw/zinc/64/21/83/628642183.db2.gz UELRIWYQUULRDL-BBWFWOEESA-N 3 1 289.467 2.442 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH+]2CCN(c3cccc(F)c3)CC2)C12CCC2 ZINC000925727404 628646273 /nfs/dbraw/zinc/64/62/73/628646273.db2.gz OZOYBICRYCMRAZ-HZPDHXFCSA-N 2 1 289.398 2.218 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000925730169 628670413 /nfs/dbraw/zinc/67/04/13/628670413.db2.gz OEQDTVSXCLXZQD-JSGCOSHPSA-N 2 1 282.815 2.146 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)[C@@H]1CCCC[NH2+]1 ZINC000925734330 628692047 /nfs/dbraw/zinc/69/20/47/628692047.db2.gz QPTDWUVYMTVANC-PMPSAXMXSA-N 2 1 296.455 2.082 20 0 CEADMP Cn1nc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1C(F)(F)F ZINC000902456047 634677381 /nfs/dbraw/zinc/67/73/81/634677381.db2.gz NDEBNKSPBKRESE-KOLCDFICSA-N 2 1 290.333 2.046 20 0 CEADMP CC1(C)CC[N@@H+](CCN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000902455988 634677749 /nfs/dbraw/zinc/67/77/49/634677749.db2.gz MRFPPAPJWHBMKF-UONOGXRCSA-N 2 1 267.461 2.214 20 0 CEADMP CC1(C)CCN(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000902455988 634677753 /nfs/dbraw/zinc/67/77/53/634677753.db2.gz MRFPPAPJWHBMKF-UONOGXRCSA-N 2 1 267.461 2.214 20 0 CEADMP CC1(C)CC[N@@H+](CCN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000902455990 634678090 /nfs/dbraw/zinc/67/80/90/634678090.db2.gz MRFPPAPJWHBMKF-ZIAGYGMSSA-N 2 1 267.461 2.214 20 0 CEADMP CC1(C)CCN(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000902455990 634678093 /nfs/dbraw/zinc/67/80/93/634678093.db2.gz MRFPPAPJWHBMKF-ZIAGYGMSSA-N 2 1 267.461 2.214 20 0 CEADMP CCC1([NH3+])CCN([C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000925757767 628733452 /nfs/dbraw/zinc/73/34/52/628733452.db2.gz JKXKEIMFPAGHKE-RBSFLKMASA-N 2 1 265.445 2.063 20 0 CEADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c(Cl)n1 ZINC000925768277 628760632 /nfs/dbraw/zinc/76/06/32/628760632.db2.gz ZMXQKNZYXRWVBV-MNOVXSKESA-N 2 1 253.777 2.131 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)[C@@H]1CCC[NH2+]1 ZINC000902462683 634682431 /nfs/dbraw/zinc/68/24/31/634682431.db2.gz XKIRJDQMGHSLBE-RDBSUJKOSA-N 2 1 254.418 2.454 20 0 CEADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902468334 634684959 /nfs/dbraw/zinc/68/49/59/634684959.db2.gz SHMLUSRPHFAINA-YLFCFFPRSA-N 2 1 292.398 2.256 20 0 CEADMP COc1ccc(F)cc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000925775624 628795417 /nfs/dbraw/zinc/79/54/17/628795417.db2.gz RCLVUNCSCXXALB-FZMZJTMJSA-N 2 1 266.360 2.107 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(O)c1 ZINC000925786096 628825129 /nfs/dbraw/zinc/82/51/29/628825129.db2.gz VSPFPKHCTFQTAZ-ZYHUDNBSSA-N 2 1 270.323 2.288 20 0 CEADMP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000931752171 628830054 /nfs/dbraw/zinc/83/00/54/628830054.db2.gz JTZKPRZDATVSBJ-LSDHHAIUSA-N 2 1 294.439 2.136 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C1(Br)CC1 ZINC000925806012 628856803 /nfs/dbraw/zinc/85/68/03/628856803.db2.gz NTMULVWJEDHROK-NXEZZACHSA-N 2 1 284.201 2.104 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925806218 628857693 /nfs/dbraw/zinc/85/76/93/628857693.db2.gz YGXZNJAEVLDSGS-WMLDXEAASA-N 2 1 284.407 2.145 20 0 CEADMP CN(C)Cc1csc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925813669 628867438 /nfs/dbraw/zinc/86/74/38/628867438.db2.gz VICNMISRHTTWKK-VXGBXAGGSA-N 2 1 296.484 2.200 20 0 CEADMP C[C@@H]([NH2+]CCc1nc2c(s1)CCC2)[C@@H]1CCCC[NH2+]1 ZINC000925830716 628923934 /nfs/dbraw/zinc/92/39/34/628923934.db2.gz LFYITFWICXEVJM-NEPJUHHUSA-N 2 1 279.453 2.295 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC000261540615 628936693 /nfs/dbraw/zinc/93/66/93/628936693.db2.gz GPGICNZTYOLLNV-VXGBXAGGSA-N 2 1 250.411 2.494 20 0 CEADMP Cc1cncc([C@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c1 ZINC000925847257 628951284 /nfs/dbraw/zinc/95/12/84/628951284.db2.gz QVFFZZGXXHAUCV-INIZCTEOSA-N 2 1 290.455 2.116 20 0 CEADMP CCc1onc(C)c1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000925890267 628985358 /nfs/dbraw/zinc/98/53/58/628985358.db2.gz OATDWHSORHYOLG-MFKMUULPSA-N 2 1 251.374 2.023 20 0 CEADMP COc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)nc1 ZINC000893860218 629019271 /nfs/dbraw/zinc/01/92/71/629019271.db2.gz YVGSDLMFIFSCBD-UHFFFAOYSA-N 2 1 275.396 2.150 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](NC2CC[NH+](CCC(C)C)CC2)C1 ZINC000925929587 629077146 /nfs/dbraw/zinc/07/71/46/629077146.db2.gz NXXJRGVQKBIDHX-NVXWUHKLSA-N 2 1 281.488 2.427 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000902514539 634708884 /nfs/dbraw/zinc/70/88/84/634708884.db2.gz PGMBDGFKNCXINZ-ZIAGYGMSSA-N 2 1 272.396 2.392 20 0 CEADMP CC[N@@H+](C[C@H](O)c1ccc(C)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261701348 629125697 /nfs/dbraw/zinc/12/56/97/629125697.db2.gz CMLYWZGHKVCVPN-IRXDYDNUSA-N 2 1 276.424 2.350 20 0 CEADMP C[C@@H]([NH2+]CCCOc1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000902517906 634711457 /nfs/dbraw/zinc/71/14/57/634711457.db2.gz OOAHTQHATJISJZ-DOMZBBRYSA-N 2 1 266.360 2.325 20 0 CEADMP C[C@@H]([NH2+]CCOC1CCSCC1)c1c[nH+]ccc1N ZINC000902517372 634711514 /nfs/dbraw/zinc/71/15/14/634711514.db2.gz KXOJZTRPLOHVHI-LLVKDONJSA-N 2 1 281.425 2.057 20 0 CEADMP CC1(C)COC[C@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000894164214 629177688 /nfs/dbraw/zinc/17/76/88/629177688.db2.gz FMHLOUNZBIULPS-QGZVFWFLSA-N 2 1 288.435 2.449 20 0 CEADMP CC1(C)COC[C@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000894164214 629177690 /nfs/dbraw/zinc/17/76/90/629177690.db2.gz FMHLOUNZBIULPS-QGZVFWFLSA-N 2 1 288.435 2.449 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(C(=O)OC)c2)C1 ZINC000894212286 629229990 /nfs/dbraw/zinc/22/99/90/629229990.db2.gz YZFQMALJCYYVHM-LBPRGKRZSA-N 2 1 296.436 2.356 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(C(=O)OC)c2)C1 ZINC000894212286 629229991 /nfs/dbraw/zinc/22/99/91/629229991.db2.gz YZFQMALJCYYVHM-LBPRGKRZSA-N 2 1 296.436 2.356 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924947799 629285564 /nfs/dbraw/zinc/28/55/64/629285564.db2.gz AYEXYPNATMILCU-VRLRAXNCSA-N 2 1 277.412 2.375 20 0 CEADMP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@H]1[NH3+] ZINC000261958681 629395771 /nfs/dbraw/zinc/39/57/71/629395771.db2.gz OYLRZVQUGZMUJR-ZWNOBZJWSA-N 2 1 276.409 2.307 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@H]1[NH3+] ZINC000261958681 629395775 /nfs/dbraw/zinc/39/57/75/629395775.db2.gz OYLRZVQUGZMUJR-ZWNOBZJWSA-N 2 1 276.409 2.307 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CCOCC1 ZINC000925063898 629425619 /nfs/dbraw/zinc/42/56/19/629425619.db2.gz VWDBBBDVZDQFTG-ZNMIVQPWSA-N 2 1 264.413 2.042 20 0 CEADMP CCn1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(C)n1 ZINC000894455893 629472143 /nfs/dbraw/zinc/47/21/43/629472143.db2.gz NHLZQQSYPPKOGF-CQSZACIVSA-N 2 1 264.417 2.031 20 0 CEADMP CCn1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(C)n1 ZINC000894455893 629472144 /nfs/dbraw/zinc/47/21/44/629472144.db2.gz NHLZQQSYPPKOGF-CQSZACIVSA-N 2 1 264.417 2.031 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(NCC[C@H](C)[NH+](C)C)c12 ZINC000894521075 629507763 /nfs/dbraw/zinc/50/77/63/629507763.db2.gz JYWJGOOTRCBQGN-JTQLQIEISA-N 2 1 261.373 2.224 20 0 CEADMP Cc1ncoc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000894779570 629635588 /nfs/dbraw/zinc/63/55/88/629635588.db2.gz IRFXXWWJVOPVRD-CQSZACIVSA-N 2 1 263.385 2.147 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795918182 629712031 /nfs/dbraw/zinc/71/20/31/629712031.db2.gz XBYHYGFFGRLVNF-INIZCTEOSA-N 2 1 296.455 2.241 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000909430165 629844676 /nfs/dbraw/zinc/84/46/76/629844676.db2.gz DFVICAJRNMBVNT-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CC([NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@H](C)O1 ZINC000796343420 629861099 /nfs/dbraw/zinc/86/10/99/629861099.db2.gz BGIWNABPBLFDEN-QWRGUYRKSA-N 2 1 283.441 2.250 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000909440339 629866554 /nfs/dbraw/zinc/86/65/54/629866554.db2.gz UEOMTVRVGJHEGA-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000909440339 629866561 /nfs/dbraw/zinc/86/65/61/629866561.db2.gz UEOMTVRVGJHEGA-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000909440339 629866565 /nfs/dbraw/zinc/86/65/65/629866565.db2.gz UEOMTVRVGJHEGA-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)ccc21 ZINC000262137841 629927068 /nfs/dbraw/zinc/92/70/68/629927068.db2.gz YVPSWOQVATUKFK-UHFFFAOYSA-N 2 1 284.407 2.149 20 0 CEADMP c1[nH]nc2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)ccc12 ZINC000262137981 629929708 /nfs/dbraw/zinc/92/97/08/629929708.db2.gz YXMZNDQWKGFRBX-UHFFFAOYSA-N 2 1 270.380 2.138 20 0 CEADMP O=c1cc[nH]c2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)ccc12 ZINC000895205485 630032964 /nfs/dbraw/zinc/03/29/64/630032964.db2.gz QQBDPTXQFXFZAF-UHFFFAOYSA-N 2 1 297.402 2.245 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]CC[C@H](C)[NH+](C)C)c1 ZINC000895290927 630080853 /nfs/dbraw/zinc/08/08/53/630080853.db2.gz WNRHCBOQNJGNMD-LBPRGKRZSA-N 2 1 263.385 2.075 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H](O)c2ccc(C)cc2)CC1 ZINC000797060302 630122487 /nfs/dbraw/zinc/12/24/87/630122487.db2.gz LRGUYAKOKWKYRQ-RHSMWYFYSA-N 2 1 276.424 2.491 20 0 CEADMP CCC[C@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)OC ZINC000895558768 630249651 /nfs/dbraw/zinc/24/96/51/630249651.db2.gz ZYLLQJZHTVADNY-GOEBONIOSA-N 2 1 277.412 2.407 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902731706 634799398 /nfs/dbraw/zinc/79/93/98/634799398.db2.gz OKZIZRINSDHTES-FIDHJVLJSA-N 2 1 276.424 2.016 20 0 CEADMP COc1nccnc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000895683670 630305383 /nfs/dbraw/zinc/30/53/83/630305383.db2.gz RPRHALXLOXUVPI-UHFFFAOYSA-N 2 1 292.427 2.183 20 0 CEADMP COc1nccnc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895683670 630305387 /nfs/dbraw/zinc/30/53/87/630305387.db2.gz RPRHALXLOXUVPI-UHFFFAOYSA-N 2 1 292.427 2.183 20 0 CEADMP CC[C@@](C)(C[NH2+][C@H](CCN(C)C)c1cccnc1)OC ZINC000896716773 630648007 /nfs/dbraw/zinc/64/80/07/630648007.db2.gz LKQVRCMSXFFXCS-CVEARBPZSA-N 2 1 279.428 2.479 20 0 CEADMP CCO[C@@H](C[NH2+]CCc1cc(C)cc(C)c1)C[NH+](C)C ZINC000896877672 630698710 /nfs/dbraw/zinc/69/87/10/630698710.db2.gz LOLIMTABEXMJSV-KRWDZBQOSA-N 2 1 278.440 2.402 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000909555460 630770108 /nfs/dbraw/zinc/77/01/08/630770108.db2.gz BITIJOAHXHERAE-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000909555460 630770114 /nfs/dbraw/zinc/77/01/14/630770114.db2.gz BITIJOAHXHERAE-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000909555460 630770121 /nfs/dbraw/zinc/77/01/21/630770121.db2.gz BITIJOAHXHERAE-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](C)CCN(C(=O)[C@H]1CC[N@H+]1C(C)(C)C)C1CCCC1 ZINC000896984698 630864118 /nfs/dbraw/zinc/86/41/18/630864118.db2.gz FIHFEHXPZIFCIV-OAHLLOKOSA-N 2 1 295.471 2.192 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CC[C@H]3CCOC3)C2)CC1 ZINC000798957257 630956757 /nfs/dbraw/zinc/95/67/57/630956757.db2.gz PLKDGFZNSCZCBM-HNNXBMFYSA-N 2 1 266.429 2.221 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@H](O)c2ccc(F)cn2)C[C@@H]1C ZINC000799306198 631005742 /nfs/dbraw/zinc/00/57/42/631005742.db2.gz UBNUPDMCXAAKPN-NOLJZWGESA-N 2 1 295.402 2.059 20 0 CEADMP CCCCCCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904316744 635563504 /nfs/dbraw/zinc/56/35/04/635563504.db2.gz RQNUNTCNMBOFNI-HRCADAONSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)C[N@@H+](C)C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000985648774 631166972 /nfs/dbraw/zinc/16/69/72/631166972.db2.gz YXWPPAOAAGXQIA-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000985648774 631166975 /nfs/dbraw/zinc/16/69/75/631166975.db2.gz YXWPPAOAAGXQIA-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000985648774 631166977 /nfs/dbraw/zinc/16/69/77/631166977.db2.gz YXWPPAOAAGXQIA-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000985800845 631183769 /nfs/dbraw/zinc/18/37/69/631183769.db2.gz RKKGLOZPTKQABB-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)s1 ZINC000897957316 631990166 /nfs/dbraw/zinc/99/01/66/631990166.db2.gz BSBVNDWYMXQUBL-RAIGVLPGSA-N 2 1 265.426 2.483 20 0 CEADMP Cc1cnn(C)c1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738642 632135621 /nfs/dbraw/zinc/13/56/21/632135621.db2.gz CXPLGATUQHJRBL-UHFFFAOYSA-N 2 1 286.423 2.422 20 0 CEADMP Cc1cnn(C)c1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738642 632135622 /nfs/dbraw/zinc/13/56/22/632135622.db2.gz CXPLGATUQHJRBL-UHFFFAOYSA-N 2 1 286.423 2.422 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCn2ccnc2)cc1 ZINC000809752480 632141074 /nfs/dbraw/zinc/14/10/74/632141074.db2.gz DSEGILILXQRVPK-UHFFFAOYSA-N 2 1 286.423 2.467 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989483284 632185006 /nfs/dbraw/zinc/18/50/06/632185006.db2.gz RSFCTTJFTSEKNI-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000810262304 632200145 /nfs/dbraw/zinc/20/01/45/632200145.db2.gz OITBVVHNEICCBR-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000810262304 632200146 /nfs/dbraw/zinc/20/01/46/632200146.db2.gz OITBVVHNEICCBR-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000866487635 632315247 /nfs/dbraw/zinc/31/52/47/632315247.db2.gz DCGPEWUNGUWOEW-KSTCHIGDSA-N 2 1 254.443 2.343 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)C[NH+](C)C ZINC000926957344 632384152 /nfs/dbraw/zinc/38/41/52/632384152.db2.gz AAWRDCCKIGSMSZ-RBSFLKMASA-N 2 1 254.418 2.121 20 0 CEADMP CCO[C@H](C[NH2+][C@@H](C1CC1)C(C)(C)C)C[NH+](C)C ZINC000926963200 632391171 /nfs/dbraw/zinc/39/11/71/632391171.db2.gz SYCZWUDMICELMS-KGLIPLIRSA-N 2 1 256.434 2.367 20 0 CEADMP CC[NH+](CC)CCCOC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000923890476 632425075 /nfs/dbraw/zinc/42/50/75/632425075.db2.gz XSZIHSOHUOQHQG-AWEZNQCLSA-N 2 1 270.417 2.134 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)OCC[C@H]1CCCC[NH+]1C ZINC000923891768 632431423 /nfs/dbraw/zinc/43/14/23/632431423.db2.gz BMLWXUXQDGBQKC-HUUCEWRRSA-N 2 1 282.428 2.277 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000923891768 632431430 /nfs/dbraw/zinc/43/14/30/632431430.db2.gz BMLWXUXQDGBQKC-HUUCEWRRSA-N 2 1 282.428 2.277 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000923891768 632431435 /nfs/dbraw/zinc/43/14/35/632431435.db2.gz BMLWXUXQDGBQKC-HUUCEWRRSA-N 2 1 282.428 2.277 20 0 CEADMP C[C@H](CN[C@H]1CCC[N@H+]2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000924715814 632458167 /nfs/dbraw/zinc/45/81/67/632458167.db2.gz MZWHIBQNMXIEQK-IKGGRYGDSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCN2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000924715814 632458170 /nfs/dbraw/zinc/45/81/70/632458170.db2.gz MZWHIBQNMXIEQK-IKGGRYGDSA-N 2 1 279.472 2.325 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCOC2CCSCC2)[C@@H](C)C1 ZINC000898440548 632494739 /nfs/dbraw/zinc/49/47/39/632494739.db2.gz RZBUQCNSDYIVBG-ZFWWWQNUSA-N 2 1 286.485 2.219 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C(C)(C)CO ZINC000924754396 632784402 /nfs/dbraw/zinc/78/44/02/632784402.db2.gz SYJZXVFZUXOITP-KGLIPLIRSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C(C)(C)CO ZINC000924754396 632784403 /nfs/dbraw/zinc/78/44/03/632784403.db2.gz SYJZXVFZUXOITP-KGLIPLIRSA-N 2 1 270.461 2.494 20 0 CEADMP CC[C@@](O)(C[NH2+]CC(C)(C)C[NH+]1CCCC1)C(F)(F)F ZINC000905229828 635874625 /nfs/dbraw/zinc/87/46/25/635874625.db2.gz KIHCLGJJOIYKRQ-CYBMUJFWSA-N 2 1 296.377 2.401 20 0 CEADMP CCc1cc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)[nH]n1 ZINC000817891589 633754641 /nfs/dbraw/zinc/75/46/41/633754641.db2.gz DXCHSDZBYQOTEJ-JSGCOSHPSA-N 2 1 264.417 2.373 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)c1ccsc1 ZINC000817894097 633756759 /nfs/dbraw/zinc/75/67/59/633756759.db2.gz AGJPEGQADIBNFC-JHJVBQTASA-N 2 1 254.399 2.031 20 0 CEADMP Cc1ccc(OC[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000817897606 633759748 /nfs/dbraw/zinc/75/97/48/633759748.db2.gz SVKGISAQIOMLQI-YCPHGPKFSA-N 2 1 262.397 2.492 20 0 CEADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(F)cccc1Cl ZINC000817905530 633765363 /nfs/dbraw/zinc/76/53/63/633765363.db2.gz JSUBPYPLWZEMBR-VTKXWYFXSA-N 2 1 298.789 2.385 20 0 CEADMP Cc1cccc(OCCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000817906754 633766170 /nfs/dbraw/zinc/76/61/70/633766170.db2.gz FEWMTGYWAKAWLD-ZBFHGGJFSA-N 2 1 262.397 2.352 20 0 CEADMP C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000817914370 633773776 /nfs/dbraw/zinc/77/37/76/633773776.db2.gz YZJLCRHSABBUOC-ZOBORPQBSA-N 2 1 266.385 2.212 20 0 CEADMP C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000817928360 633783920 /nfs/dbraw/zinc/78/39/20/633783920.db2.gz WCQRBZYAYOYOQA-BHYGNILZSA-N 2 1 276.424 2.100 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)c1cc(C)cc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000817929310 633785003 /nfs/dbraw/zinc/78/50/03/633785003.db2.gz GBHRHWRJXQYUJP-ULQDDVLXSA-N 2 1 276.424 2.457 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2COc3ccccc3[C@@H]2O)c2ccccc21 ZINC000817932165 633785902 /nfs/dbraw/zinc/78/59/02/633785902.db2.gz RRZIXNNRKNYTJU-CVYDXHPNSA-N 2 1 296.370 2.215 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cc2n(n1)CCC2 ZINC000817950767 633795681 /nfs/dbraw/zinc/79/56/81/633795681.db2.gz ZUWLBRQMVWECDM-CYBMUJFWSA-N 2 1 284.407 2.181 20 0 CEADMP O=C(Nc1ccc2nccn2c1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900673031 633802830 /nfs/dbraw/zinc/80/28/30/633802830.db2.gz WDSHLRZKBBEEQL-ZIAGYGMSSA-N 2 1 284.363 2.290 20 0 CEADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2c(c1)CCO2 ZINC000817960637 633803040 /nfs/dbraw/zinc/80/30/40/633803040.db2.gz ONCCGWFCVZCPDE-GJZGRUSLSA-N 2 1 260.381 2.400 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000817962229 633804944 /nfs/dbraw/zinc/80/49/44/633804944.db2.gz JPIVNGSJNJMWIW-SFYZADRCSA-N 2 1 290.180 2.229 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000817979065 633821263 /nfs/dbraw/zinc/82/12/63/633821263.db2.gz HVAWMDSBTHHECS-WCQYABFASA-N 2 1 277.368 2.031 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817979987 633822972 /nfs/dbraw/zinc/82/29/72/633822972.db2.gz QVHCTYQGKLPRIK-AGIUHOORSA-N 2 1 291.395 2.420 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CCCCCCO)CC[NH2+]CC2 ZINC000818340652 633912638 /nfs/dbraw/zinc/91/26/38/633912638.db2.gz PGPAIGVRAFXHMC-AWEZNQCLSA-N 2 1 254.418 2.003 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000818973127 634024064 /nfs/dbraw/zinc/02/40/64/634024064.db2.gz RTYPTVOPNMGNPG-WMLDXEAASA-N 2 1 274.408 2.102 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC000819151598 634085649 /nfs/dbraw/zinc/08/56/49/634085649.db2.gz BWTHTWFTRPQUDH-WMLDXEAASA-N 2 1 294.414 2.427 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)C1=CC[N@@H+](C)CC1 ZINC000819219434 634108006 /nfs/dbraw/zinc/10/80/06/634108006.db2.gz DOVKWYBPNUPHLV-BLLLJJGKSA-N 2 1 278.371 2.099 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000819221540 634108534 /nfs/dbraw/zinc/10/85/34/634108534.db2.gz XZEHEIOWUWYUEK-RHSMWYFYSA-N 2 1 274.408 2.268 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000819309103 634134688 /nfs/dbraw/zinc/13/46/88/634134688.db2.gz KXASILSQJCHNFI-CVEARBPZSA-N 2 1 276.424 2.258 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000819309103 634134692 /nfs/dbraw/zinc/13/46/92/634134692.db2.gz KXASILSQJCHNFI-CVEARBPZSA-N 2 1 276.424 2.258 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)c1cccc(F)c1)C1CC1 ZINC000819360176 634154392 /nfs/dbraw/zinc/15/43/92/634154392.db2.gz ALJQGFHSQGFTJW-MRXNPFEDSA-N 2 1 280.387 2.323 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[NH+](C)C1CC1 ZINC000903090913 634964443 /nfs/dbraw/zinc/96/44/43/634964443.db2.gz JDRNHVFQWWIDJH-MACMSNGSSA-N 2 1 277.456 2.217 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[N@H+](C)C1CC1 ZINC000903090913 634964449 /nfs/dbraw/zinc/96/44/49/634964449.db2.gz JDRNHVFQWWIDJH-MACMSNGSSA-N 2 1 277.456 2.217 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[N@@H+](C)C1CC1 ZINC000903090913 634964453 /nfs/dbraw/zinc/96/44/53/634964453.db2.gz JDRNHVFQWWIDJH-MACMSNGSSA-N 2 1 277.456 2.217 20 0 CEADMP C[C@@H]1CC[N@@H+](CCNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903105147 634971989 /nfs/dbraw/zinc/97/19/89/634971989.db2.gz QSFXCLGMRYLJIN-ZBSSRIJBSA-N 2 1 277.456 2.076 20 0 CEADMP C[C@@H]1CC[NH+](CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903105147 634971991 /nfs/dbraw/zinc/97/19/91/634971991.db2.gz QSFXCLGMRYLJIN-ZBSSRIJBSA-N 2 1 277.456 2.076 20 0 CEADMP C[C@@H]1CC[NH+](CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903105147 634971994 /nfs/dbraw/zinc/97/19/94/634971994.db2.gz QSFXCLGMRYLJIN-ZBSSRIJBSA-N 2 1 277.456 2.076 20 0 CEADMP O=c1[nH]cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903206143 635015314 /nfs/dbraw/zinc/01/53/14/635015314.db2.gz HQEDKBOXLGKQDA-LQDVMPOASA-N 2 1 273.380 2.035 20 0 CEADMP O=c1[nH]cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903206143 635015320 /nfs/dbraw/zinc/01/53/20/635015320.db2.gz HQEDKBOXLGKQDA-LQDVMPOASA-N 2 1 273.380 2.035 20 0 CEADMP CC[C@H](C[C@@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903214787 635019380 /nfs/dbraw/zinc/01/93/80/635019380.db2.gz XRAHNLALJJKQDI-LVMBCBDASA-N 2 1 266.429 2.283 20 0 CEADMP CO[C@@H](C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CC1 ZINC000823015687 635048658 /nfs/dbraw/zinc/04/86/58/635048658.db2.gz IVZDVPVVGUIYFO-HNNXBMFYSA-N 2 1 266.429 2.219 20 0 CEADMP CN1CC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000903318348 635064993 /nfs/dbraw/zinc/06/49/93/635064993.db2.gz ZNKWOZHSJWZLKM-ROUUACIJSA-N 2 1 299.462 2.477 20 0 CEADMP CN1CC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000903318348 635064997 /nfs/dbraw/zinc/06/49/97/635064997.db2.gz ZNKWOZHSJWZLKM-ROUUACIJSA-N 2 1 299.462 2.477 20 0 CEADMP C[C@@H](CCCCO)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903380734 635093232 /nfs/dbraw/zinc/09/32/32/635093232.db2.gz OPNOYXYWMRYKIJ-GOEBONIOSA-N 2 1 279.428 2.215 20 0 CEADMP C[C@H](CCCCO)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903380736 635094011 /nfs/dbraw/zinc/09/40/11/635094011.db2.gz OPNOYXYWMRYKIJ-ZBFHGGJFSA-N 2 1 279.428 2.215 20 0 CEADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903418787 635107649 /nfs/dbraw/zinc/10/76/49/635107649.db2.gz ULIWUSPFWGFSBA-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1ccc(OCC[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903429566 635113661 /nfs/dbraw/zinc/11/36/61/635113661.db2.gz HFWHXBQPHSULCJ-CABCVRRESA-N 2 1 262.397 2.433 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000903432446 635114792 /nfs/dbraw/zinc/11/47/92/635114792.db2.gz BWGQPMPMSQJZBF-IVMMDQJWSA-N 2 1 260.381 2.385 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903434535 635115903 /nfs/dbraw/zinc/11/59/03/635115903.db2.gz HORWLOBGEZYKSH-FPCVCCKLSA-N 2 1 295.471 2.131 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CCCO1 ZINC000903458906 635125496 /nfs/dbraw/zinc/12/54/96/635125496.db2.gz MROPIBVBHZYCBE-RRFJBIMHSA-N 2 1 296.361 2.085 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CCCO1 ZINC000903458906 635125502 /nfs/dbraw/zinc/12/55/02/635125502.db2.gz MROPIBVBHZYCBE-RRFJBIMHSA-N 2 1 296.361 2.085 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)C1 ZINC000903463712 635127323 /nfs/dbraw/zinc/12/73/23/635127323.db2.gz JRBOLEXKRSNEPL-ZJIFWQFVSA-N 2 1 266.429 2.395 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2CN2CCCCC2)C1 ZINC000903442081 635128269 /nfs/dbraw/zinc/12/82/69/635128269.db2.gz ISNMLSQHHPEZJN-ARFHVFGLSA-N 2 1 265.445 2.064 20 0 CEADMP C([C@H]1CCC[NH2+]1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000903442264 635128459 /nfs/dbraw/zinc/12/84/59/635128459.db2.gz MYYXWYMADYEGGU-QGZVFWFLSA-N 2 1 279.472 2.326 20 0 CEADMP C(CC1SCCS1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472258 635142942 /nfs/dbraw/zinc/14/29/42/635142942.db2.gz QFIOHFOYSIGFOS-SNVBAGLBSA-N 2 1 258.456 2.057 20 0 CEADMP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@H]1C[C@H]2CCC[C@H]2O1 ZINC000903481867 635149311 /nfs/dbraw/zinc/14/93/11/635149311.db2.gz ORDIJYDAKSMQID-KBUPBQIOSA-N 2 1 264.413 2.208 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@H]1CC[C@H](C2CC2)O1 ZINC000903482034 635149797 /nfs/dbraw/zinc/14/97/97/635149797.db2.gz VAEOEFRXYIRXTL-KFWWJZLASA-N 2 1 264.413 2.208 20 0 CEADMP Cc1cccc2nc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cn21 ZINC000903500331 635154156 /nfs/dbraw/zinc/15/41/56/635154156.db2.gz WWRYAFYOWGBZIA-TZMCWYRMSA-N 2 1 272.396 2.059 20 0 CEADMP CC(=O)c1ccccc1OCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494883 635158002 /nfs/dbraw/zinc/15/80/02/635158002.db2.gz OVUZXRGFYGQGTD-UKRRQHHQSA-N 2 1 290.407 2.185 20 0 CEADMP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@](C)(O)c1ccccc1 ZINC000823605938 635227831 /nfs/dbraw/zinc/22/78/31/635227831.db2.gz OOWIKONDUQARCR-IAGOWNOFSA-N 2 1 276.424 2.310 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@](C)(O)c1ccccc1 ZINC000823605938 635227833 /nfs/dbraw/zinc/22/78/33/635227833.db2.gz OOWIKONDUQARCR-IAGOWNOFSA-N 2 1 276.424 2.310 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@](C)(O)c1ccccc1 ZINC000823605938 635227837 /nfs/dbraw/zinc/22/78/37/635227837.db2.gz OOWIKONDUQARCR-IAGOWNOFSA-N 2 1 276.424 2.310 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@](C)(O)c1ccccc1 ZINC000823605938 635227840 /nfs/dbraw/zinc/22/78/40/635227840.db2.gz OOWIKONDUQARCR-IAGOWNOFSA-N 2 1 276.424 2.310 20 0 CEADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1c1ccccc1 ZINC000903707634 635229818 /nfs/dbraw/zinc/22/98/18/635229818.db2.gz DQLHFDRDGOXDSU-HNNXBMFYSA-N 2 1 273.424 2.197 20 0 CEADMP C[N@H+](Cc1ccccc1F)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719072 635233345 /nfs/dbraw/zinc/23/33/45/635233345.db2.gz UWXMBPMOXLEBLV-ZBFHGGJFSA-N 2 1 278.371 2.026 20 0 CEADMP C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718145 635234192 /nfs/dbraw/zinc/23/41/92/635234192.db2.gz HKVZOFOGBDCOIL-INIZCTEOSA-N 2 1 292.398 2.416 20 0 CEADMP CC(C)[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903722388 635235867 /nfs/dbraw/zinc/23/58/67/635235867.db2.gz LSHDNEZCTGCAAR-CQSZACIVSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@@H+](CCC(F)(F)F)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725628 635238524 /nfs/dbraw/zinc/23/85/24/635238524.db2.gz DWNILKVMJYDJMW-LBPRGKRZSA-N 2 1 294.361 2.419 20 0 CEADMP CC[N@@H+](CCC(F)(F)F)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903726955 635239272 /nfs/dbraw/zinc/23/92/72/635239272.db2.gz PNXVXZHDRUZDDB-NEPJUHHUSA-N 2 1 280.334 2.029 20 0 CEADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000903727862 635239836 /nfs/dbraw/zinc/23/98/36/635239836.db2.gz YKPGSXZCTYICAT-PMPSAXMXSA-N 2 1 278.440 2.410 20 0 CEADMP CC[C@]1(C)CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903730132 635241836 /nfs/dbraw/zinc/24/18/36/635241836.db2.gz UKFPEKRTDDEQLC-XHSDSOJGSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)(C)[C@@H]1CCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903730617 635242560 /nfs/dbraw/zinc/24/25/60/635242560.db2.gz YAQWHDYRPJKFHC-IJEWVQPXSA-N 2 1 266.429 2.266 20 0 CEADMP CCn1nc(C)c(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000823653768 635243509 /nfs/dbraw/zinc/24/35/09/635243509.db2.gz FQXPCYAMBFQYAL-AWEZNQCLSA-N 2 1 293.459 2.351 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903734685 635251669 /nfs/dbraw/zinc/25/16/69/635251669.db2.gz UWLFCLNCSDULQQ-UGUYLWEFSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@@H+](CCC1CCOCC1)C[C@@H]1CCCC[NH2+]C1 ZINC000903735440 635251952 /nfs/dbraw/zinc/25/19/52/635251952.db2.gz ZYUGXBVYFHLKRV-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCCC[NH2+]C1 ZINC000903739592 635252404 /nfs/dbraw/zinc/25/24/04/635252404.db2.gz MLBCDRJVOAYDNA-JKSUJKDBSA-N 3 1 267.461 2.182 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903740932 635255139 /nfs/dbraw/zinc/25/51/39/635255139.db2.gz MNRGYNLGCMXOJX-JKSUJKDBSA-N 2 1 267.461 2.040 20 0 CEADMP Cc1ccc2c(c1)C[N@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903767226 635258737 /nfs/dbraw/zinc/25/87/37/635258737.db2.gz FWUZELIKBFUTHV-QZTJIDSGSA-N 2 1 286.419 2.122 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000903755269 635261039 /nfs/dbraw/zinc/26/10/39/635261039.db2.gz DNSBZVCPTOMTMO-LZLYRXPVSA-N 2 1 291.483 2.325 20 0 CEADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCCC2(CC2)CC1 ZINC000903776823 635265004 /nfs/dbraw/zinc/26/50/04/635265004.db2.gz WPBNCJUCFWADOL-GDBMZVCRSA-N 2 1 264.413 2.021 20 0 CEADMP CC(C)c1ccccc1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000903777971 635265775 /nfs/dbraw/zinc/26/57/75/635265775.db2.gz HHXSHUCOOWHUHP-UHFFFAOYSA-N 2 1 276.424 2.356 20 0 CEADMP OCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCC[NH2+]C1 ZINC000903781333 635267556 /nfs/dbraw/zinc/26/75/56/635267556.db2.gz QLLVBFNMKFYNOR-PNRVRQOCSA-N 2 1 266.429 2.002 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)n1 ZINC000903812612 635286380 /nfs/dbraw/zinc/28/63/80/635286380.db2.gz UTJREWHJWPHPFX-INIZCTEOSA-N 2 1 290.455 2.483 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCC2CC[NH2+]CC2)CCC1 ZINC000903811587 635286769 /nfs/dbraw/zinc/28/67/69/635286769.db2.gz NMLWLZUYCNURHO-MRXNPFEDSA-N 3 1 279.472 2.360 20 0 CEADMP NCC1([C@H]2CCCC[N@@H+]2CCC2CC[NH2+]CC2)CCC1 ZINC000903811587 635286770 /nfs/dbraw/zinc/28/67/70/635286770.db2.gz NMLWLZUYCNURHO-MRXNPFEDSA-N 2 1 279.472 2.360 20 0 CEADMP NCC1([C@H]2CCCC[N@H+]2CCC2CC[NH2+]CC2)CCC1 ZINC000903811587 635286773 /nfs/dbraw/zinc/28/67/73/635286773.db2.gz NMLWLZUYCNURHO-MRXNPFEDSA-N 2 1 279.472 2.360 20 0 CEADMP Cc1noc(C[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903824577 635292416 /nfs/dbraw/zinc/29/24/16/635292416.db2.gz RAKSYZZVHYXNHH-HUUCEWRRSA-N 2 1 292.427 2.022 20 0 CEADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)nc1 ZINC000903831074 635295368 /nfs/dbraw/zinc/29/53/68/635295368.db2.gz CUNBGYUUZUIBIJ-BBRMVZONSA-N 2 1 275.396 2.227 20 0 CEADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)nc1 ZINC000903831077 635295533 /nfs/dbraw/zinc/29/55/33/635295533.db2.gz CUNBGYUUZUIBIJ-XJKSGUPXSA-N 2 1 275.396 2.227 20 0 CEADMP CC1(C)CC[C@H](C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])OC1 ZINC000903856581 635307263 /nfs/dbraw/zinc/30/72/63/635307263.db2.gz ADWWWSOIRIUUNW-NFAWXSAZSA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])OC1 ZINC000903856581 635307265 /nfs/dbraw/zinc/30/72/65/635307265.db2.gz ADWWWSOIRIUUNW-NFAWXSAZSA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CC[C@H](C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])OC1 ZINC000903856579 635308090 /nfs/dbraw/zinc/30/80/90/635308090.db2.gz ADWWWSOIRIUUNW-GUTXKFCHSA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])OC1 ZINC000903856579 635308097 /nfs/dbraw/zinc/30/80/97/635308097.db2.gz ADWWWSOIRIUUNW-GUTXKFCHSA-N 2 1 252.402 2.005 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCCOc1ccc(F)cc1 ZINC000903856150 635308136 /nfs/dbraw/zinc/30/81/36/635308136.db2.gz QQNQNHHLHLZZEQ-BBRMVZONSA-N 2 1 278.371 2.408 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCCOc1ccc(F)cc1 ZINC000903856150 635308141 /nfs/dbraw/zinc/30/81/41/635308141.db2.gz QQNQNHHLHLZZEQ-BBRMVZONSA-N 2 1 278.371 2.408 20 0 CEADMP COc1ccccc1CCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858181 635309051 /nfs/dbraw/zinc/30/90/51/635309051.db2.gz HJJGCZGRSVQDPC-NVXWUHKLSA-N 2 1 274.408 2.441 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903858181 635309054 /nfs/dbraw/zinc/30/90/54/635309054.db2.gz HJJGCZGRSVQDPC-NVXWUHKLSA-N 2 1 274.408 2.441 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCCOCc1ccccc1 ZINC000903859333 635310218 /nfs/dbraw/zinc/31/02/18/635310218.db2.gz MOQGSJGMNFGRDX-DLBZAZTESA-N 2 1 274.408 2.407 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCCOCc1ccccc1 ZINC000903859333 635310222 /nfs/dbraw/zinc/31/02/22/635310222.db2.gz MOQGSJGMNFGRDX-DLBZAZTESA-N 2 1 274.408 2.407 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+])c1ccccc1 ZINC000903859012 635310536 /nfs/dbraw/zinc/31/05/36/635310536.db2.gz KXLJXTHPRZILBQ-BZUAXINKSA-N 2 1 260.381 2.187 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+])c1ccccc1 ZINC000903859012 635310543 /nfs/dbraw/zinc/31/05/43/635310543.db2.gz KXLJXTHPRZILBQ-BZUAXINKSA-N 2 1 260.381 2.187 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCOCc1ccccc1 ZINC000903860948 635313187 /nfs/dbraw/zinc/31/31/87/635313187.db2.gz VCHFILSGSFKKIX-HOTGVXAUSA-N 2 1 260.381 2.016 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCOCc1ccccc1 ZINC000903860948 635313192 /nfs/dbraw/zinc/31/31/92/635313192.db2.gz VCHFILSGSFKKIX-HOTGVXAUSA-N 2 1 260.381 2.016 20 0 CEADMP CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H]1CCCCO1 ZINC000903890878 635318313 /nfs/dbraw/zinc/31/83/13/635318313.db2.gz HFKBYVAZAQVFBT-RYUDHWBXSA-N 2 1 264.360 2.250 20 0 CEADMP CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H]1CCCCO1 ZINC000903890878 635318319 /nfs/dbraw/zinc/31/83/19/635318319.db2.gz HFKBYVAZAQVFBT-RYUDHWBXSA-N 2 1 264.360 2.250 20 0 CEADMP CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903873772 635321512 /nfs/dbraw/zinc/32/15/12/635321512.db2.gz XIGJUQBHONVINL-INIZCTEOSA-N 2 1 299.422 2.225 20 0 CEADMP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903873772 635321517 /nfs/dbraw/zinc/32/15/17/635321517.db2.gz XIGJUQBHONVINL-INIZCTEOSA-N 2 1 299.422 2.225 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000903875109 635322653 /nfs/dbraw/zinc/32/26/53/635322653.db2.gz MVZGAXBXYZXYFA-XUWVNRHRSA-N 2 1 266.429 2.252 20 0 CEADMP C[C@@]1(C2CC2)COCC[N@H+]1CCCCCCC[NH3+] ZINC000903882281 635324699 /nfs/dbraw/zinc/32/46/99/635324699.db2.gz NIPXWXOIDFQMLU-HNNXBMFYSA-N 2 1 254.418 2.397 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)[C@@H](C)C(C)(C)C)cnn1C ZINC000903882735 635325694 /nfs/dbraw/zinc/32/56/94/635325694.db2.gz AZMYCXBIRZNGLC-KBPBESRZSA-N 2 1 280.460 2.212 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@H+](CCC(C)C)C2CC2)cnn1C ZINC000903883940 635325729 /nfs/dbraw/zinc/32/57/29/635325729.db2.gz MSGZOAUQCOSJCA-HNNXBMFYSA-N 2 1 292.471 2.356 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCOCC2(CCC2)C1 ZINC000903914807 635328666 /nfs/dbraw/zinc/32/86/66/635328666.db2.gz KRZLKLYLWPRHTO-GOOCMWNKSA-N 2 1 264.413 2.020 20 0 CEADMP OCC[N@@H+](CCc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903893465 635330606 /nfs/dbraw/zinc/33/06/06/635330606.db2.gz WBHQEKKDXCWICR-AYHJJNSGSA-N 2 1 288.435 2.054 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2C(C)C)cnn1C ZINC000903895600 635332844 /nfs/dbraw/zinc/33/28/44/635332844.db2.gz OTCATNQGNZDDTC-DOTOQJQBSA-N 2 1 292.471 2.356 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903911075 635344746 /nfs/dbraw/zinc/34/47/46/635344746.db2.gz WFFOLPIKGMXHIK-OOKSDGMUSA-N 3 1 291.483 2.181 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903911075 635344749 /nfs/dbraw/zinc/34/47/49/635344749.db2.gz WFFOLPIKGMXHIK-OOKSDGMUSA-N 3 1 291.483 2.181 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903911075 635344752 /nfs/dbraw/zinc/34/47/52/635344752.db2.gz WFFOLPIKGMXHIK-OOKSDGMUSA-N 3 1 291.483 2.181 20 0 CEADMP C[N@H+]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2C1 ZINC000903928419 635356117 /nfs/dbraw/zinc/35/61/17/635356117.db2.gz YPUSRILVAKXKRO-ZXFUBFMLSA-N 2 1 285.435 2.469 20 0 CEADMP Oc1cccc2c1CC[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903933957 635359619 /nfs/dbraw/zinc/35/96/19/635359619.db2.gz BWBZBUUBKFHLPX-LQDVMPOASA-N 2 1 272.392 2.281 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000903918290 635366980 /nfs/dbraw/zinc/36/69/80/635366980.db2.gz WHEPCAQLWSMEQX-OOHRUWKFSA-N 3 1 291.483 2.229 20 0 CEADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]CC1=Cc2ccccc2OC1 ZINC000903957936 635367486 /nfs/dbraw/zinc/36/74/86/635367486.db2.gz UQUGOQYTDFSOGB-AWEZNQCLSA-N 2 1 294.345 2.297 20 0 CEADMP c1nc2ccccn2c1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960204 635369310 /nfs/dbraw/zinc/36/93/10/635369310.db2.gz YWYVDIRTJBCSCK-KRWDZBQOSA-N 2 1 284.407 2.300 20 0 CEADMP c1nc2ccccn2c1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960204 635369318 /nfs/dbraw/zinc/36/93/18/635369318.db2.gz YWYVDIRTJBCSCK-KRWDZBQOSA-N 2 1 284.407 2.300 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959151 635369388 /nfs/dbraw/zinc/36/93/88/635369388.db2.gz BPXHRZMHAQUEJN-MRXNPFEDSA-N 2 1 282.428 2.041 20 0 CEADMP c1c(C[NH2+]Cc2cccc3c2CC[NH2+]C3)onc1C1CC1 ZINC000903953315 635386889 /nfs/dbraw/zinc/38/68/89/635386889.db2.gz CVGYBFARYKTRBI-UHFFFAOYSA-N 2 1 283.375 2.488 20 0 CEADMP C[C@H](CCC(F)(F)F)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974009 635392131 /nfs/dbraw/zinc/39/21/31/635392131.db2.gz SBTVSVWDKRWTOI-VXGBXAGGSA-N 2 1 294.361 2.466 20 0 CEADMP C[C@]1(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)CC[NH2+]C1 ZINC000903978450 635394469 /nfs/dbraw/zinc/39/44/69/635394469.db2.gz FTQOAWXUDHZIET-YESZJQIVSA-N 2 1 256.393 2.260 20 0 CEADMP Cc1ccc2ncc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)n2c1 ZINC000903977707 635394752 /nfs/dbraw/zinc/39/47/52/635394752.db2.gz WWMGOUDXBFWECF-ZIAGYGMSSA-N 2 1 272.396 2.059 20 0 CEADMP c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903980114 635396327 /nfs/dbraw/zinc/39/63/27/635396327.db2.gz IAUMGHALLFLXNS-GASCZTMLSA-N 2 1 291.464 2.149 20 0 CEADMP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000903980114 635396329 /nfs/dbraw/zinc/39/63/29/635396329.db2.gz IAUMGHALLFLXNS-GASCZTMLSA-N 2 1 291.464 2.149 20 0 CEADMP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903980114 635396331 /nfs/dbraw/zinc/39/63/31/635396331.db2.gz IAUMGHALLFLXNS-GASCZTMLSA-N 2 1 291.464 2.149 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000903964767 635398509 /nfs/dbraw/zinc/39/85/09/635398509.db2.gz QOWRQBNHBOCTEV-PWSUYJOCSA-N 2 1 265.426 2.356 20 0 CEADMP C[N@H+](C[C@H]1COc2ccccc2O1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904303891 635555100 /nfs/dbraw/zinc/55/51/00/635555100.db2.gz LBFCWEMWHYYVSF-YOEHRIQHSA-N 2 1 290.407 2.148 20 0 CEADMP C[N@@H+](C[C@H]1COc2ccccc2O1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904303891 635555107 /nfs/dbraw/zinc/55/51/07/635555107.db2.gz LBFCWEMWHYYVSF-YOEHRIQHSA-N 2 1 290.407 2.148 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](c2ccccc2)O1 ZINC000904313664 635561363 /nfs/dbraw/zinc/56/13/63/635561363.db2.gz XRNAJVMRCMGXJN-UGQVUOCMSA-N 2 1 260.381 2.186 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000904328281 635573258 /nfs/dbraw/zinc/57/32/58/635573258.db2.gz NBYMTOZYXFLGKN-LSDHHAIUSA-N 2 1 293.459 2.144 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000904328281 635573264 /nfs/dbraw/zinc/57/32/64/635573264.db2.gz NBYMTOZYXFLGKN-LSDHHAIUSA-N 2 1 293.459 2.144 20 0 CEADMP CCO[C@H]1C[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC000904329394 635575020 /nfs/dbraw/zinc/57/50/20/635575020.db2.gz YIQHWTITGADHGA-RQJABVFESA-N 2 1 252.402 2.003 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@H](Cc3ccncc3)C2)CCC[NH2+]C1 ZINC000904341991 635580282 /nfs/dbraw/zinc/58/02/82/635580282.db2.gz TVXJCALUVYZNML-SJORKVTESA-N 2 1 273.424 2.336 20 0 CEADMP CC(C)(C)CC[C@H](N)C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000904355609 635587659 /nfs/dbraw/zinc/58/76/59/635587659.db2.gz URPIDWFBRUOMOY-UONOGXRCSA-N 2 1 255.450 2.262 20 0 CEADMP C[C@@H]([NH2+]C1CC(C[NH3+])C1)c1noc(-c2ccccc2)n1 ZINC000904359837 635589456 /nfs/dbraw/zinc/58/94/56/635589456.db2.gz FCEPAQDUVNAZHZ-XSRFYTQQSA-N 2 1 272.352 2.125 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@H]1CC[NH3+] ZINC000904388550 635597951 /nfs/dbraw/zinc/59/79/51/635597951.db2.gz KCJRASBKRLMBFT-MGPQQGTHSA-N 2 1 255.450 2.057 20 0 CEADMP C[C@@H]1C[N@H+](C[C@H](N)CCC(C)(C)C)C[C@H]1CC[NH3+] ZINC000904388550 635597953 /nfs/dbraw/zinc/59/79/53/635597953.db2.gz KCJRASBKRLMBFT-MGPQQGTHSA-N 2 1 255.450 2.057 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H](N)CCC(C)(C)C)C[C@H]1CC[NH3+] ZINC000904388550 635597957 /nfs/dbraw/zinc/59/79/57/635597957.db2.gz KCJRASBKRLMBFT-MGPQQGTHSA-N 2 1 255.450 2.057 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000904376816 635601941 /nfs/dbraw/zinc/60/19/41/635601941.db2.gz GALUHUGUIUPDPC-GOSISDBHSA-N 3 1 287.451 2.357 20 0 CEADMP c1cn(C2CC2)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000904377009 635601999 /nfs/dbraw/zinc/60/19/99/635601999.db2.gz GXLYQOQMXCLZNP-OAHLLOKOSA-N 2 1 288.439 2.430 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)[C@@H]1CC[NH3+] ZINC000904375711 635602049 /nfs/dbraw/zinc/60/20/49/635602049.db2.gz GOGDAXHOLYMPEK-XJKSGUPXSA-N 3 1 261.413 2.095 20 0 CEADMP COc1ccc([C@@H]2CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)cc1F ZINC000904381871 635605691 /nfs/dbraw/zinc/60/56/91/635605691.db2.gz WLYPSYINZXGTDQ-BNOWGMLFSA-N 2 1 278.371 2.361 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)CCC[NH2+]C1 ZINC000904385392 635608262 /nfs/dbraw/zinc/60/82/62/635608262.db2.gz XGLKMLDVGZNTFL-MCIONIFRSA-N 2 1 254.443 2.061 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c(-c2cccs2)n1 ZINC000904404955 635612491 /nfs/dbraw/zinc/61/24/91/635612491.db2.gz BZGISQVIBGHHFN-GFCCVEGCSA-N 2 1 290.436 2.319 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000904405775 635612659 /nfs/dbraw/zinc/61/26/59/635612659.db2.gz PKICNOMBHDOZRZ-JTQLQIEISA-N 2 1 251.399 2.191 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000904406175 635613501 /nfs/dbraw/zinc/61/35/01/635613501.db2.gz STIYQDJTQJQQBR-GFCCVEGCSA-N 2 1 276.409 2.105 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1C ZINC000904410526 635617013 /nfs/dbraw/zinc/61/70/13/635617013.db2.gz HEJZRPBRPZYDKT-WFASDCNBSA-N 2 1 278.444 2.327 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)CCO1 ZINC000904411951 635619491 /nfs/dbraw/zinc/61/94/91/635619491.db2.gz QRRWAPVRZYIOPF-GBJTYRQASA-N 2 1 254.418 2.108 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CCO1 ZINC000904429902 635625777 /nfs/dbraw/zinc/62/57/77/635625777.db2.gz BCXMYHYWKVYTFI-BZUAXINKSA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CCO1 ZINC000904429902 635625780 /nfs/dbraw/zinc/62/57/80/635625780.db2.gz BCXMYHYWKVYTFI-BZUAXINKSA-N 2 1 266.429 2.410 20 0 CEADMP CC1(C)Cc2cc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)ccc2O1 ZINC000904420469 635631041 /nfs/dbraw/zinc/63/10/41/635631041.db2.gz PMEVZHYHLKLUDP-GOEBONIOSA-N 2 1 286.419 2.441 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](Cc3nccs3)C2)CC[NH2+]1 ZINC000904469014 635646765 /nfs/dbraw/zinc/64/67/65/635646765.db2.gz HYMNDDOAUHXNDA-MCIONIFRSA-N 2 1 279.453 2.396 20 0 CEADMP C[N@@H+](CCCCNC(=O)Nc1ccccc1C[NH3+])C1CC1 ZINC000904626740 635690503 /nfs/dbraw/zinc/69/05/03/635690503.db2.gz ASLRNCHKINAKEJ-UHFFFAOYSA-N 2 1 290.411 2.141 20 0 CEADMP CC[C@@](O)(C[NH2+]C1CC[NH+](C(C)C)CC1)C(F)(F)F ZINC000905027628 635793664 /nfs/dbraw/zinc/79/36/64/635793664.db2.gz QPWOMIPZJOZMRP-GFCCVEGCSA-N 2 1 282.350 2.152 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+][C@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000905205552 635879406 /nfs/dbraw/zinc/87/94/06/635879406.db2.gz WNDIOTYHFZUPOC-RHSMWYFYSA-N 2 1 274.408 2.268 20 0 CEADMP C[C@@H](O)C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905709503 636400212 /nfs/dbraw/zinc/40/02/12/636400212.db2.gz MKMTUCSIYUUIJZ-BGTYHANMSA-N 2 1 288.435 2.258 20 0 CEADMP CC(C)CC(=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000828003956 636484069 /nfs/dbraw/zinc/48/40/69/636484069.db2.gz QKVZRGANWOABIT-UHFFFAOYSA-N 2 1 275.396 2.209 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000908171023 637251073 /nfs/dbraw/zinc/25/10/73/637251073.db2.gz LADSDXAKRKOPTM-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000908171023 637251078 /nfs/dbraw/zinc/25/10/78/637251078.db2.gz LADSDXAKRKOPTM-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000908171023 637251089 /nfs/dbraw/zinc/25/10/89/637251089.db2.gz LADSDXAKRKOPTM-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000831710981 637416053 /nfs/dbraw/zinc/41/60/53/637416053.db2.gz FOVKNBVWKYAEGN-UHFFFAOYSA-N 2 1 295.471 2.101 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000832497709 637600609 /nfs/dbraw/zinc/60/06/09/637600609.db2.gz JOORPGYSJVYEOU-LSDHHAIUSA-N 2 1 283.460 2.003 20 0 CEADMP CSC(C)(C)CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000876714614 650409042 /nfs/dbraw/zinc/40/90/42/650409042.db2.gz CFDDGSZNHGVSCK-HNNXBMFYSA-N 2 1 299.528 2.230 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[NH+](CC)C2)C1 ZINC000912399824 638679884 /nfs/dbraw/zinc/67/98/84/638679884.db2.gz ZLCBYSGPZZRMDP-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)C1 ZINC000912399824 638679889 /nfs/dbraw/zinc/67/98/89/638679889.db2.gz ZLCBYSGPZZRMDP-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000912399824 638679895 /nfs/dbraw/zinc/67/98/95/638679895.db2.gz ZLCBYSGPZZRMDP-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP COc1cnc(F)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000876811863 650442720 /nfs/dbraw/zinc/44/27/20/650442720.db2.gz HNIIQLVDSPISSE-IUODEOHRSA-N 2 1 293.386 2.145 20 0 CEADMP [NH3+][C@H](CC(F)F)CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323785783 639208372 /nfs/dbraw/zinc/20/83/72/639208372.db2.gz FJXZNGJREPPLOI-OAHLLOKOSA-N 2 1 297.393 2.177 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000226816143 639565523 /nfs/dbraw/zinc/56/55/23/639565523.db2.gz JXCXTJGJXWFDKT-DZGCQCFKSA-N 2 1 259.397 2.389 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000226816143 639565526 /nfs/dbraw/zinc/56/55/26/639565526.db2.gz JXCXTJGJXWFDKT-DZGCQCFKSA-N 2 1 259.397 2.389 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(CO)c2)c2ccccc21 ZINC000227456125 639591189 /nfs/dbraw/zinc/59/11/89/639591189.db2.gz GEGMWEXKXHWDLS-DLBZAZTESA-N 2 1 268.360 2.413 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC[N@H+]1C ZINC000227542697 639595445 /nfs/dbraw/zinc/59/54/45/639595445.db2.gz KQVAHEBJZALPLB-CZPYZCIJSA-N 2 1 259.397 2.204 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000841007315 639616128 /nfs/dbraw/zinc/61/61/28/639616128.db2.gz OZZDSTLKMWLUCE-GDBMZVCRSA-N 2 1 284.444 2.020 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)nc2)CCCCC1 ZINC000841039219 639629035 /nfs/dbraw/zinc/62/90/35/639629035.db2.gz FYUIBRXUQJAKLD-UHFFFAOYSA-N 2 1 253.777 2.486 20 0 CEADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000841062985 639637795 /nfs/dbraw/zinc/63/77/95/639637795.db2.gz FCQIUEBVTHMJFZ-GXFFZTMASA-N 2 1 268.788 2.436 20 0 CEADMP Cc1nn(C)c(Cl)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063120741 639828483 /nfs/dbraw/zinc/82/84/83/639828483.db2.gz XVQHRWMXLLTRPC-UHFFFAOYSA-N 2 1 284.835 2.156 20 0 CEADMP Cc1nn(C)c(Cl)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063120741 639828496 /nfs/dbraw/zinc/82/84/96/639828496.db2.gz XVQHRWMXLLTRPC-UHFFFAOYSA-N 2 1 284.835 2.156 20 0 CEADMP C[N@@H+](CCCCCCCO)C[C@@H]1CCC[NH+](C)C1 ZINC000173792249 639877647 /nfs/dbraw/zinc/87/76/47/639877647.db2.gz JSJGWUPFFZGNOT-HNNXBMFYSA-N 2 1 256.434 2.203 20 0 CEADMP C[NH+](CCCCCCCO)C[C@@H]1CCC[N@H+](C)C1 ZINC000173792249 639877652 /nfs/dbraw/zinc/87/76/52/639877652.db2.gz JSJGWUPFFZGNOT-HNNXBMFYSA-N 2 1 256.434 2.203 20 0 CEADMP C[NH+](CCCCCCCO)C[C@@H]1CCC[N@@H+](C)C1 ZINC000173792249 639877656 /nfs/dbraw/zinc/87/76/56/639877656.db2.gz JSJGWUPFFZGNOT-HNNXBMFYSA-N 2 1 256.434 2.203 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+]CC2(C)CCCC2)CC1 ZINC000877020560 650533638 /nfs/dbraw/zinc/53/36/38/650533638.db2.gz XUKSRIIFHQDNLP-UHFFFAOYSA-N 2 1 281.488 2.430 20 0 CEADMP C[N@@H+](C[C@@H]1CC[C@H](C(F)(F)F)O1)C[C@H]1CCC[NH+](C)C1 ZINC000929703344 640025756 /nfs/dbraw/zinc/02/57/56/640025756.db2.gz SPSWJDRXACKIBN-RWMBFGLXSA-N 2 1 294.361 2.370 20 0 CEADMP C[NH+](C[C@@H]1CC[C@H](C(F)(F)F)O1)C[C@H]1CCC[N@H+](C)C1 ZINC000929703344 640025760 /nfs/dbraw/zinc/02/57/60/640025760.db2.gz SPSWJDRXACKIBN-RWMBFGLXSA-N 2 1 294.361 2.370 20 0 CEADMP C[NH+](C[C@@H]1CC[C@H](C(F)(F)F)O1)C[C@H]1CCC[N@@H+](C)C1 ZINC000929703344 640025767 /nfs/dbraw/zinc/02/57/67/640025767.db2.gz SPSWJDRXACKIBN-RWMBFGLXSA-N 2 1 294.361 2.370 20 0 CEADMP CC(C)C(=O)N1CCC[N@@H+](CCCCCCC[NH3+])CC1 ZINC000842472153 640070712 /nfs/dbraw/zinc/07/07/12/640070712.db2.gz SQSHMOHMWCZUJI-UHFFFAOYSA-N 2 1 283.460 2.086 20 0 CEADMP CCCCC[C@@H](C)NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000842476740 640076624 /nfs/dbraw/zinc/07/66/24/640076624.db2.gz UIVOUPSEAPUSTM-ZIAGYGMSSA-N 2 1 283.460 2.049 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000245677302 640135448 /nfs/dbraw/zinc/13/54/48/640135448.db2.gz LLKWVSOIKKZAHI-SYQHCUMBSA-N 2 1 266.385 2.164 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000245677302 640135453 /nfs/dbraw/zinc/13/54/53/640135453.db2.gz LLKWVSOIKKZAHI-SYQHCUMBSA-N 2 1 266.385 2.164 20 0 CEADMP CCN1CCC([N@@H+](C)C[C@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000929781359 640189031 /nfs/dbraw/zinc/18/90/31/640189031.db2.gz VVBBPGWHQWXISQ-ZBFHGGJFSA-N 2 1 296.455 2.382 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000929781359 640189037 /nfs/dbraw/zinc/18/90/37/640189037.db2.gz VVBBPGWHQWXISQ-ZBFHGGJFSA-N 2 1 296.455 2.382 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000929781359 640189040 /nfs/dbraw/zinc/18/90/40/640189040.db2.gz VVBBPGWHQWXISQ-ZBFHGGJFSA-N 2 1 296.455 2.382 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843051897 640255397 /nfs/dbraw/zinc/25/53/97/640255397.db2.gz MFGWSEAOXDDJCU-OCCSQVGLSA-N 2 1 260.381 2.276 20 0 CEADMP Cc1ccc2ncc(C[N@H+](C)C3CCC([NH3+])CC3)n2c1 ZINC000843055683 640258151 /nfs/dbraw/zinc/25/81/51/640258151.db2.gz KLULQKZULXFMDJ-UHFFFAOYSA-N 2 1 272.396 2.344 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)Nc1nc(N(C)C)cc[nH+]1 ZINC000152883496 640348998 /nfs/dbraw/zinc/34/89/98/640348998.db2.gz JGGQAJYWFRDJAY-CYBMUJFWSA-N 2 1 279.432 2.465 20 0 CEADMP Cc1ccc2c(C[N@H+]3CC[C@H](C[NH3+])C3)cc(=O)oc2c1C ZINC000843348456 640398494 /nfs/dbraw/zinc/39/84/94/640398494.db2.gz ORXKEXLBNMHTKK-CYBMUJFWSA-N 2 1 286.375 2.190 20 0 CEADMP O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000843358284 640402093 /nfs/dbraw/zinc/40/20/93/640402093.db2.gz LQRQHWTZIFLLMP-HYVNUMGLSA-N 2 1 274.408 2.184 20 0 CEADMP CCCCOC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843387015 640413920 /nfs/dbraw/zinc/41/39/20/640413920.db2.gz PUUNTWCTCYWANM-CABCVRRESA-N 2 1 282.428 2.041 20 0 CEADMP [NH3+]CCCCCCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000843391976 640414549 /nfs/dbraw/zinc/41/45/49/640414549.db2.gz DVIZLVYYNCKVKR-UHFFFAOYSA-N 2 1 282.819 2.397 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000843391976 640414555 /nfs/dbraw/zinc/41/45/55/640414555.db2.gz DVIZLVYYNCKVKR-UHFFFAOYSA-N 2 1 282.819 2.397 20 0 CEADMP CCCN(Cc1ncc(C[NH+](C)C)s1)[C@H]1CC[N@H+](C)C1 ZINC000843422636 640424498 /nfs/dbraw/zinc/42/44/98/640424498.db2.gz PLNYGYQRNHOGPN-ZDUSSCGKSA-N 2 1 296.484 2.121 20 0 CEADMP CCCN(Cc1ncc(C[NH+](C)C)s1)[C@H]1CC[N@@H+](C)C1 ZINC000843422636 640424500 /nfs/dbraw/zinc/42/45/00/640424500.db2.gz PLNYGYQRNHOGPN-ZDUSSCGKSA-N 2 1 296.484 2.121 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000843797594 640528157 /nfs/dbraw/zinc/52/81/57/640528157.db2.gz HODFYFGAVSVXKB-KBPBESRZSA-N 2 1 294.443 2.099 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2)[C@H]2CCCC[C@@H]12 ZINC000915225897 640531145 /nfs/dbraw/zinc/53/11/45/640531145.db2.gz FMRMQGSMGKAVRS-NCOADZHNSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]2CCCC[C@@H]12 ZINC000915225897 640531149 /nfs/dbraw/zinc/53/11/49/640531149.db2.gz FMRMQGSMGKAVRS-NCOADZHNSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]2CCCC[C@@H]12 ZINC000915225897 640531153 /nfs/dbraw/zinc/53/11/53/640531153.db2.gz FMRMQGSMGKAVRS-NCOADZHNSA-N 2 1 280.456 2.344 20 0 CEADMP COC(=O)/C=C(/C)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000930059923 641014996 /nfs/dbraw/zinc/01/49/96/641014996.db2.gz FNDLIGVSWOXEFY-PXXUHZIESA-N 2 1 292.423 2.054 20 0 CEADMP COC(=O)/C=C(/C)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000930059923 641015001 /nfs/dbraw/zinc/01/50/01/641015001.db2.gz FNDLIGVSWOXEFY-PXXUHZIESA-N 2 1 292.423 2.054 20 0 CEADMP COC(=O)/C=C(/C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000930059923 641015004 /nfs/dbraw/zinc/01/50/04/641015004.db2.gz FNDLIGVSWOXEFY-PXXUHZIESA-N 2 1 292.423 2.054 20 0 CEADMP COC(=O)/C=C(/C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000930059923 641015007 /nfs/dbraw/zinc/01/50/07/641015007.db2.gz FNDLIGVSWOXEFY-PXXUHZIESA-N 2 1 292.423 2.054 20 0 CEADMP CCCC(=O)NC[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846218915 641226889 /nfs/dbraw/zinc/22/68/89/641226889.db2.gz YSNYBLDQJKSAHN-OAHLLOKOSA-N 2 1 283.460 2.134 20 0 CEADMP C[N@H+](CCCCCC[NH3+])Cc1nccn1CC(F)(F)F ZINC000846219956 641228560 /nfs/dbraw/zinc/22/85/60/641228560.db2.gz DRZPJHSGPMYLOO-UHFFFAOYSA-N 2 1 292.349 2.396 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1nccn1CC(F)(F)F ZINC000846219956 641228567 /nfs/dbraw/zinc/22/85/67/641228567.db2.gz DRZPJHSGPMYLOO-UHFFFAOYSA-N 2 1 292.349 2.396 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000846221857 641230606 /nfs/dbraw/zinc/23/06/06/641230606.db2.gz GZMIXYMXYKYDQT-KGLIPLIRSA-N 2 1 272.458 2.102 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000846226772 641234352 /nfs/dbraw/zinc/23/43/52/641234352.db2.gz BRKHAMWXNYKRMZ-GVDBMIGSSA-N 3 1 297.487 2.256 20 0 CEADMP C[N@@H+](CC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)CC(C)(C)C ZINC000877256721 650644440 /nfs/dbraw/zinc/64/44/40/650644440.db2.gz CZZXAPHYLIEATQ-KRWDZBQOSA-N 2 1 297.487 2.188 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000846812507 641435444 /nfs/dbraw/zinc/43/54/44/641435444.db2.gz UYWWVRXKRILQHC-KRWDZBQOSA-N 2 1 294.414 2.318 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000846812507 641435451 /nfs/dbraw/zinc/43/54/51/641435451.db2.gz UYWWVRXKRILQHC-KRWDZBQOSA-N 2 1 294.414 2.318 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000846812509 641436078 /nfs/dbraw/zinc/43/60/78/641436078.db2.gz UYWWVRXKRILQHC-QGZVFWFLSA-N 2 1 294.414 2.318 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000846812509 641436084 /nfs/dbraw/zinc/43/60/84/641436084.db2.gz UYWWVRXKRILQHC-QGZVFWFLSA-N 2 1 294.414 2.318 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000996903864 642158027 /nfs/dbraw/zinc/15/80/27/642158027.db2.gz KOYKVNHGROMUMN-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(F)c(F)c1 ZINC000848984612 642207491 /nfs/dbraw/zinc/20/74/91/642207491.db2.gz IOUGWQQWIKZNTO-GFCCVEGCSA-N 2 1 296.365 2.063 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921546290 642220732 /nfs/dbraw/zinc/22/07/32/642220732.db2.gz HHSWCLZSTALYRG-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921546290 642220739 /nfs/dbraw/zinc/22/07/39/642220739.db2.gz HHSWCLZSTALYRG-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C1CC1)C1CC1 ZINC000849010976 642227629 /nfs/dbraw/zinc/22/76/29/642227629.db2.gz GKJLNMZBQLQZAH-AWEZNQCLSA-N 2 1 278.444 2.021 20 0 CEADMP CC1CCN(C(=[NH2+])NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000849023860 642237242 /nfs/dbraw/zinc/23/72/42/642237242.db2.gz IMXZXGDVSLUERC-AWEZNQCLSA-N 2 1 280.460 2.363 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=[NH2+])N1CCCCC1 ZINC000849023886 642237933 /nfs/dbraw/zinc/23/79/33/642237933.db2.gz JLNZVKKRIIMYBG-ZDUSSCGKSA-N 2 1 266.433 2.117 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCCCCC1 ZINC000849027684 642241326 /nfs/dbraw/zinc/24/13/26/642241326.db2.gz DWOOCAXBAZAULW-AWEZNQCLSA-N 2 1 266.433 2.261 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NCC(C)C ZINC000849063499 642259005 /nfs/dbraw/zinc/25/90/05/642259005.db2.gz JVNFALJKBKRJHO-AWEZNQCLSA-N 2 1 268.449 2.411 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000921633856 642290983 /nfs/dbraw/zinc/29/09/83/642290983.db2.gz SYIAGKWGAVGBAP-UHFFFAOYSA-N 2 1 287.411 2.372 20 0 CEADMP CC(C)[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997771374 642322678 /nfs/dbraw/zinc/32/26/78/642322678.db2.gz GUMOSQMNDPRWHK-MRXNPFEDSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998200034 642372959 /nfs/dbraw/zinc/37/29/59/642372959.db2.gz SLQDSZYGKBFZBC-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998200034 642372965 /nfs/dbraw/zinc/37/29/65/642372965.db2.gz SLQDSZYGKBFZBC-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998200034 642372969 /nfs/dbraw/zinc/37/29/69/642372969.db2.gz SLQDSZYGKBFZBC-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCCn1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cn1 ZINC000685470801 642574722 /nfs/dbraw/zinc/57/47/22/642574722.db2.gz RWPIVAKIAKCMBS-JKSUJKDBSA-N 2 1 276.428 2.209 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000374699 642595027 /nfs/dbraw/zinc/59/50/27/642595027.db2.gz XFLMDHSAEYIUQD-HZPDHXFCSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C(C)C)CC1 ZINC001000661899 642637000 /nfs/dbraw/zinc/63/70/00/642637000.db2.gz HBEBUUQADJUMKU-INIZCTEOSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](C(C)C)CC1 ZINC001000661899 642637005 /nfs/dbraw/zinc/63/70/05/642637005.db2.gz HBEBUUQADJUMKU-INIZCTEOSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](C(C)C)CC1 ZINC001000661899 642637006 /nfs/dbraw/zinc/63/70/06/642637006.db2.gz HBEBUUQADJUMKU-INIZCTEOSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)[NH+](CCC[NH2+]Cc1cnn(CCF)c1)C(C)C ZINC000921806179 642656115 /nfs/dbraw/zinc/65/61/15/642656115.db2.gz LIRWEJNVDVXJFE-UHFFFAOYSA-N 2 1 284.423 2.451 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1SCCS1 ZINC000850402311 642701466 /nfs/dbraw/zinc/70/14/66/642701466.db2.gz VYBPKRCSJGXBKX-UHFFFAOYSA-N 2 1 269.439 2.043 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](O)c3ccccc32)CC1 ZINC000850529396 642743650 /nfs/dbraw/zinc/74/36/50/642743650.db2.gz PZWOEFCYMUFOEH-JKSUJKDBSA-N 2 1 260.381 2.239 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2SCCS2)[C@@H](C)C1 ZINC000850560406 642752654 /nfs/dbraw/zinc/75/26/54/642752654.db2.gz DRVHGRNFGJQMHR-WDEREUQCSA-N 2 1 260.472 2.112 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2SCCS2)[C@H]2CCC[C@H]21 ZINC000850561616 642753755 /nfs/dbraw/zinc/75/37/55/642753755.db2.gz POPJSGWLPWYNSW-GRYCIOLGSA-N 2 1 272.483 2.255 20 0 CEADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]Cc1cnn(C3CCC3)c1)CC2 ZINC000922063412 642861168 /nfs/dbraw/zinc/86/11/68/642861168.db2.gz JEDGADNRIOXGMS-ZDUSSCGKSA-N 2 1 285.395 2.157 20 0 CEADMP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000922063173 642861302 /nfs/dbraw/zinc/86/13/02/642861302.db2.gz FLERROCZSPFOKT-SOUVJXGZSA-N 2 1 277.412 2.383 20 0 CEADMP CCC[C@H](C)C[NH2+][C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922385750 643057756 /nfs/dbraw/zinc/05/77/56/643057756.db2.gz AJIXCRJKCZNHPZ-MZBWOGCUSA-N 2 1 282.472 2.492 20 0 CEADMP CC1(C)OC[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000851779070 643157903 /nfs/dbraw/zinc/15/79/03/643157903.db2.gz PYBZAWXZGWNHSY-GJZGRUSLSA-N 2 1 282.428 2.088 20 0 CEADMP CC1(C)OC[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000851779070 643157908 /nfs/dbraw/zinc/15/79/08/643157908.db2.gz PYBZAWXZGWNHSY-GJZGRUSLSA-N 2 1 282.428 2.088 20 0 CEADMP C[NH+](CC[C@H]1COC(C)(C)O1)CC[C@@H]1CCCC[N@@H+]1C ZINC000851787141 643161950 /nfs/dbraw/zinc/16/19/50/643161950.db2.gz PBHAFWXSUDTQQD-GJZGRUSLSA-N 2 1 284.444 2.334 20 0 CEADMP C[NH+](CC[C@H]1COC(C)(C)O1)CC[C@@H]1CCCC[N@H+]1C ZINC000851787141 643161953 /nfs/dbraw/zinc/16/19/53/643161953.db2.gz PBHAFWXSUDTQQD-GJZGRUSLSA-N 2 1 284.444 2.334 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851796165 643166801 /nfs/dbraw/zinc/16/68/01/643166801.db2.gz WLWXZLYOFHEFBI-CVEARBPZSA-N 2 1 296.455 2.192 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851796165 643166806 /nfs/dbraw/zinc/16/68/06/643166806.db2.gz WLWXZLYOFHEFBI-CVEARBPZSA-N 2 1 296.455 2.192 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851796165 643166810 /nfs/dbraw/zinc/16/68/10/643166810.db2.gz WLWXZLYOFHEFBI-CVEARBPZSA-N 2 1 296.455 2.192 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)s1 ZINC000922731007 643235235 /nfs/dbraw/zinc/23/52/35/643235235.db2.gz MZWODFPKCOSEOD-WCBMZHEXSA-N 2 1 293.358 2.493 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C[NH+](C)C ZINC000922756176 643246904 /nfs/dbraw/zinc/24/69/04/643246904.db2.gz MIBKAOJFCSDTRL-CBBWQLFWSA-N 2 1 254.418 2.121 20 0 CEADMP CCO[C@@H](C[NH2+]C[C@@H]1CCOc2ccccc21)C[NH+](C)C ZINC000922757686 643247736 /nfs/dbraw/zinc/24/77/36/643247736.db2.gz JZMTWHDSWFQILY-GJZGRUSLSA-N 2 1 292.423 2.109 20 0 CEADMP CCO[C@@H](C[NH2+][C@H]1CCc2ccccc2C1)C[NH+](C)C ZINC000922762125 643249670 /nfs/dbraw/zinc/24/96/70/643249670.db2.gz UHKXOUJQBGCVTF-IRXDYDNUSA-N 2 1 276.424 2.100 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(C)CCCCO1 ZINC000922821164 643283895 /nfs/dbraw/zinc/28/38/95/643283895.db2.gz VJJBUSVOHXMLOD-OAHLLOKOSA-N 2 1 263.385 2.196 20 0 CEADMP CCc1nocc1C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000877664552 650840521 /nfs/dbraw/zinc/84/05/21/650840521.db2.gz QUESIQPLQZIWEU-UHFFFAOYSA-N 2 1 295.427 2.027 20 0 CEADMP c1ccc2c(c1)OC[C@@H](C[N@H+](C1CC1)C1CC[NH2+]CC1)O2 ZINC000923282928 643638843 /nfs/dbraw/zinc/63/88/43/643638843.db2.gz VSJDTBRXJKGGBT-OAHLLOKOSA-N 2 1 288.391 2.043 20 0 CEADMP c1ccc2c(c1)OC[C@@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)O2 ZINC000923282928 643638844 /nfs/dbraw/zinc/63/88/44/643638844.db2.gz VSJDTBRXJKGGBT-OAHLLOKOSA-N 2 1 288.391 2.043 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000923299389 643643861 /nfs/dbraw/zinc/64/38/61/643643861.db2.gz ZGDALDCXRKHKOF-DLBZAZTESA-N 2 1 278.440 2.285 20 0 CEADMP c1csc([C@@H]2CCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923299769 643645301 /nfs/dbraw/zinc/64/53/01/643645301.db2.gz ZDOGXGJRADCHSD-STQMWFEESA-N 2 1 278.421 2.264 20 0 CEADMP CC[N@H+](Cc1c(F)cccc1F)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923313353 643652990 /nfs/dbraw/zinc/65/29/90/643652990.db2.gz WUBXKHVOADDHAD-LBPRGKRZSA-N 2 1 296.361 2.165 20 0 CEADMP CC[N@@H+](Cc1c(F)cccc1F)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923313353 643652987 /nfs/dbraw/zinc/65/29/87/643652987.db2.gz WUBXKHVOADDHAD-LBPRGKRZSA-N 2 1 296.361 2.165 20 0 CEADMP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316644 643656108 /nfs/dbraw/zinc/65/61/08/643656108.db2.gz PXHXJBIYGMBUFD-HZRXROBNSA-N 2 1 274.408 2.023 20 0 CEADMP Cc1ccccc1[C@H]1C[C@H](C)[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316646 643656160 /nfs/dbraw/zinc/65/61/60/643656160.db2.gz PXHXJBIYGMBUFD-JBJRXJHCSA-N 2 1 274.408 2.023 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316684 643656287 /nfs/dbraw/zinc/65/62/87/643656287.db2.gz QZUNVVBPODCXBA-SOUVJXGZSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1nc([C@@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923312032 643658381 /nfs/dbraw/zinc/65/83/81/643658381.db2.gz GQERAJSZGPFTRH-DKUMPPAJSA-N 2 1 290.411 2.436 20 0 CEADMP Cc1nc([C@@H]2CCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923312032 643658384 /nfs/dbraw/zinc/65/83/84/643658384.db2.gz GQERAJSZGPFTRH-DKUMPPAJSA-N 2 1 290.411 2.436 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329501 643661315 /nfs/dbraw/zinc/66/13/15/643661315.db2.gz UXYIZTLGYBEANO-GUMUBFQMSA-N 3 1 291.483 2.371 20 0 CEADMP C[N@H+](C[C@H](O)c1ccc(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000923333573 643665527 /nfs/dbraw/zinc/66/55/27/643665527.db2.gz AZYCENMPEGUFSX-DOMZBBRYSA-N 2 1 284.350 2.072 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000923333573 643665531 /nfs/dbraw/zinc/66/55/31/643665531.db2.gz AZYCENMPEGUFSX-DOMZBBRYSA-N 2 1 284.350 2.072 20 0 CEADMP C[N@@H+](C[C@@H](O)CCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000923335501 643667293 /nfs/dbraw/zinc/66/72/93/643667293.db2.gz QMVQXMJEWAJAPH-SJORKVTESA-N 2 1 276.424 2.054 20 0 CEADMP CC[N@@H+](C[C@H](O)CC1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000923335681 643668226 /nfs/dbraw/zinc/66/82/26/643668226.db2.gz OEZCFXAEAMKDLA-JKSUJKDBSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923356808 643679594 /nfs/dbraw/zinc/67/95/94/643679594.db2.gz URLAMZWWNSECTE-RTBURBONSA-N 2 1 298.430 2.414 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000923389894 643689337 /nfs/dbraw/zinc/68/93/37/643689337.db2.gz ZZEMWJSCJPXAIE-ILXRZTDVSA-N 2 1 256.434 2.233 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2)[C@@H]1CC[NH3+] ZINC000923385349 643691613 /nfs/dbraw/zinc/69/16/13/643691613.db2.gz ADLDXSKAEUJSLU-DAXOMENPSA-N 2 1 280.387 2.308 20 0 CEADMP CCCCC[C@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923387179 643692262 /nfs/dbraw/zinc/69/22/62/643692262.db2.gz GYSAJXGAKAXNJG-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H](O)Cc2ccccc2)[C@H]1CC[NH3+] ZINC000923386892 643692730 /nfs/dbraw/zinc/69/27/30/643692730.db2.gz KWOINICHUANLON-OIISXLGYSA-N 2 1 276.424 2.039 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1CCO ZINC000923393159 643694517 /nfs/dbraw/zinc/69/45/17/643694517.db2.gz YOMWRBJHPUBDEG-AKBNIOSXSA-N 2 1 280.456 2.390 20 0 CEADMP C[C@H](CO)[C@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923393190 643694795 /nfs/dbraw/zinc/69/47/95/643694795.db2.gz ZCVNNUVVJTZFNS-AKBNIOSXSA-N 2 1 280.456 2.390 20 0 CEADMP C[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1CCO ZINC000923393160 643694854 /nfs/dbraw/zinc/69/48/54/643694854.db2.gz YOMWRBJHPUBDEG-MKXAEBJUSA-N 2 1 280.456 2.390 20 0 CEADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923413289 643702297 /nfs/dbraw/zinc/70/22/97/643702297.db2.gz VSNMEWHETQANRT-ZHAXYTGKSA-N 2 1 264.413 2.043 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000923486416 643729743 /nfs/dbraw/zinc/72/97/43/643729743.db2.gz GHLQCPIHMQWOHC-CABCVRRESA-N 2 1 289.423 2.301 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000923486419 643730244 /nfs/dbraw/zinc/73/02/44/643730244.db2.gz GHLQCPIHMQWOHC-LSDHHAIUSA-N 2 1 289.423 2.301 20 0 CEADMP Cc1ccc(-c2noc(C[N@H+]3CC[C@H](CC[NH3+])C3)n2)cc1 ZINC000923487637 643730892 /nfs/dbraw/zinc/73/08/92/643730892.db2.gz FRNMEXXZJPTZGW-ZDUSSCGKSA-N 2 1 286.379 2.216 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000923479830 643731002 /nfs/dbraw/zinc/73/10/02/643731002.db2.gz DENKJIXUBWKGJQ-NSHDSACASA-N 2 1 290.342 2.046 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc3c2OC(F)(F)O3)C1 ZINC000923480892 643732024 /nfs/dbraw/zinc/73/20/24/643732024.db2.gz MJLAIMPTEYRUHE-JTQLQIEISA-N 2 1 284.306 2.179 20 0 CEADMP C[C@@H]1C[N@@H+](CCC2SCCS2)CC[C@H]1C[NH3+] ZINC000923488429 643734983 /nfs/dbraw/zinc/73/49/83/643734983.db2.gz FSWSGEXGLVBEKK-MNOVXSKESA-N 2 1 260.472 2.099 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(O)ccc2Cl)CC[C@H]1C[NH3+] ZINC000923490959 643736031 /nfs/dbraw/zinc/73/60/31/643736031.db2.gz PFSRQNMCKHTPPG-MNOVXSKESA-N 2 1 268.788 2.462 20 0 CEADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923492099 643736495 /nfs/dbraw/zinc/73/64/95/643736495.db2.gz NKPLOYPVQKRXMG-NEPJUHHUSA-N 2 1 295.814 2.338 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923491698 643736515 /nfs/dbraw/zinc/73/65/15/643736515.db2.gz MDZSRJUYSKWQCK-HNNXBMFYSA-N 2 1 262.397 2.435 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccc(Br)cn2)CC[C@@H]1C[NH3+] ZINC000923493559 643737562 /nfs/dbraw/zinc/73/75/62/643737562.db2.gz IMZDDKRXIUYRTL-WDEREUQCSA-N 2 1 298.228 2.261 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(Br)cn2)CC[C@@H]1C[NH3+] ZINC000923493559 643737564 /nfs/dbraw/zinc/73/75/64/643737564.db2.gz IMZDDKRXIUYRTL-WDEREUQCSA-N 2 1 298.228 2.261 20 0 CEADMP C[C@H]1C[N@H+](Cc2noc(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000923497360 643740020 /nfs/dbraw/zinc/74/00/20/643740020.db2.gz BZSOBUUNXROPCB-GXTWGEPZSA-N 2 1 286.379 2.153 20 0 CEADMP C[C@H]1C[N@@H+](Cc2noc(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000923497360 643740025 /nfs/dbraw/zinc/74/00/25/643740025.db2.gz BZSOBUUNXROPCB-GXTWGEPZSA-N 2 1 286.379 2.153 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccncc2Cl)CC[C@@H]1C[NH3+] ZINC000923502734 643740066 /nfs/dbraw/zinc/74/00/66/643740066.db2.gz YVSGEKDEQZJULE-WDEREUQCSA-N 2 1 253.777 2.152 20 0 CEADMP Cc1ccc2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cn2c1 ZINC000923498914 643740829 /nfs/dbraw/zinc/74/08/29/643740829.db2.gz JBSZLLSVEQXRIN-KBPBESRZSA-N 2 1 272.396 2.059 20 0 CEADMP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500999 643741621 /nfs/dbraw/zinc/74/16/21/643741621.db2.gz QLZPOLPBPLGAAF-JHJVBQTASA-N 2 1 293.386 2.069 20 0 CEADMP FC1(F)CCC[C@@H]1CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515403 643747349 /nfs/dbraw/zinc/74/73/49/643747349.db2.gz GAJQBAOVCFTIRA-YNEHKIRRSA-N 2 1 258.356 2.353 20 0 CEADMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1SC ZINC000923517513 643748720 /nfs/dbraw/zinc/74/87/20/643748720.db2.gz DJAQVHDKDUOVCL-UONOGXRCSA-N 2 1 292.448 2.458 20 0 CEADMP COc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1SC ZINC000923517513 643748725 /nfs/dbraw/zinc/74/87/25/643748725.db2.gz DJAQVHDKDUOVCL-UONOGXRCSA-N 2 1 292.448 2.458 20 0 CEADMP Clc1cccc(OCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923521403 643749543 /nfs/dbraw/zinc/74/95/43/643749543.db2.gz QJDZEWDDIONEJO-QWHCGFSZSA-N 2 1 280.799 2.260 20 0 CEADMP OC[C@H]1CCCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000923529945 643751907 /nfs/dbraw/zinc/75/19/07/643751907.db2.gz FMCMLOYFCJDWBR-QGZVFWFLSA-N 2 1 274.408 2.069 20 0 CEADMP C[N@@H+](CCCCCCC[NH3+])Cc1cccc(=O)[nH]1 ZINC000923555961 643763598 /nfs/dbraw/zinc/76/35/98/643763598.db2.gz YQDJGBFXVFXGCM-UHFFFAOYSA-N 2 1 251.374 2.128 20 0 CEADMP C[N@H+]1CCC[C@H](CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000838143098 643859653 /nfs/dbraw/zinc/85/96/53/643859653.db2.gz RZJXQJLKPGVLQZ-MRXNPFEDSA-N 2 1 295.471 2.101 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@H]1CO[NH+]=C(N)[C@H]1C[C@H]1C ZINC000853730326 643879676 /nfs/dbraw/zinc/87/96/76/643879676.db2.gz FBHZGFGSAVGZGE-AGIUHOORSA-N 2 1 253.390 2.404 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CO[NH+]=C(N)[C@H]1C[C@H]1C ZINC000853730326 643879680 /nfs/dbraw/zinc/87/96/80/643879680.db2.gz FBHZGFGSAVGZGE-AGIUHOORSA-N 2 1 253.390 2.404 20 0 CEADMP C[NH+](C)CCC[N@H+](C)CCNc1ccnc(Cl)c1 ZINC000853799452 643904935 /nfs/dbraw/zinc/90/49/35/643904935.db2.gz QRJLXEAXRCHFCF-UHFFFAOYSA-N 2 1 270.808 2.030 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)CCNc1ccnc(Cl)c1 ZINC000853799452 643904937 /nfs/dbraw/zinc/90/49/37/643904937.db2.gz QRJLXEAXRCHFCF-UHFFFAOYSA-N 2 1 270.808 2.030 20 0 CEADMP O[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000854229616 644017215 /nfs/dbraw/zinc/01/72/15/644017215.db2.gz SJTGOXHGFFUAQJ-PFJUDNAZSA-N 2 1 258.365 2.037 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)C2CC2)C1 ZINC000838845827 644044207 /nfs/dbraw/zinc/04/42/07/644044207.db2.gz WNDQYPODDHXSQK-BFYDXBDKSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000838845827 644044211 /nfs/dbraw/zinc/04/42/11/644044211.db2.gz WNDQYPODDHXSQK-BFYDXBDKSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000838845827 644044217 /nfs/dbraw/zinc/04/42/17/644044217.db2.gz WNDQYPODDHXSQK-BFYDXBDKSA-N 2 1 280.456 2.344 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000838973365 644104082 /nfs/dbraw/zinc/10/40/82/644104082.db2.gz YXEVPIBFHRTGRE-QWHCGFSZSA-N 2 1 270.417 2.038 20 0 CEADMP Cc1noc(C)c1CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000838980834 644108342 /nfs/dbraw/zinc/10/83/42/644108342.db2.gz VSORGBZYYJGDIK-UHFFFAOYSA-N 2 1 277.412 2.440 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)/C=C/C1CCCC1 ZINC000855344976 644312272 /nfs/dbraw/zinc/31/22/72/644312272.db2.gz KJYBWYXTBJZCHH-NKSUMMKUSA-N 2 1 295.471 2.121 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)/C=C/C1CCCC1 ZINC000855344976 644312280 /nfs/dbraw/zinc/31/22/80/644312280.db2.gz KJYBWYXTBJZCHH-NKSUMMKUSA-N 2 1 295.471 2.121 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CCO)c1cccs1 ZINC000754383933 644366581 /nfs/dbraw/zinc/36/65/81/644366581.db2.gz PUJCHGXLSOEJIK-STQMWFEESA-N 2 1 268.426 2.246 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CCO)c1cccs1 ZINC000754383933 644366584 /nfs/dbraw/zinc/36/65/84/644366584.db2.gz PUJCHGXLSOEJIK-STQMWFEESA-N 2 1 268.426 2.246 20 0 CEADMP CCCn1cc[nH+]c1CCCN(C)c1cc(C)[nH+]c(N)n1 ZINC000758156616 644889360 /nfs/dbraw/zinc/88/93/60/644889360.db2.gz TVQDRUUABUXXMT-UHFFFAOYSA-N 2 1 288.399 2.043 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000857852985 644981370 /nfs/dbraw/zinc/98/13/70/644981370.db2.gz ICEIUWOJMKMXEL-HNNXBMFYSA-N 2 1 276.428 2.499 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858041636 645052311 /nfs/dbraw/zinc/05/23/11/645052311.db2.gz LLZRTJMVDPZFOJ-HNNXBMFYSA-N 2 1 286.379 2.048 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858041636 645052317 /nfs/dbraw/zinc/05/23/17/645052317.db2.gz LLZRTJMVDPZFOJ-HNNXBMFYSA-N 2 1 286.379 2.048 20 0 CEADMP CN(CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000858123262 645068894 /nfs/dbraw/zinc/06/88/94/645068894.db2.gz RPOTVTHKBMYUMW-ZDUSSCGKSA-N 2 1 299.459 2.316 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccsc2)CC1(C)C ZINC000858143235 645073382 /nfs/dbraw/zinc/07/33/82/645073382.db2.gz IBSIVLJJZBENPB-CHWSQXEVSA-N 2 1 268.426 2.244 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccsc2)CC1(C)C ZINC000858143235 645073383 /nfs/dbraw/zinc/07/33/83/645073383.db2.gz IBSIVLJJZBENPB-CHWSQXEVSA-N 2 1 268.426 2.244 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CCO)Cc2ccccc2)CC1(C)C ZINC000858161597 645078569 /nfs/dbraw/zinc/07/85/69/645078569.db2.gz BTFBKKFSDNHRAA-DLBZAZTESA-N 2 1 290.451 2.443 20 0 CEADMP CC[N@H+](CC[NH2+]C1CCC(CC(=O)OC)CC1)C(C)C ZINC000858358848 645131231 /nfs/dbraw/zinc/13/12/31/645131231.db2.gz AMGVNXDCSNPEME-UHFFFAOYSA-N 2 1 284.444 2.428 20 0 CEADMP CC[N@@H+](CC[NH2+]C1CCC(CC(=O)OC)CC1)C(C)C ZINC000858358848 645131233 /nfs/dbraw/zinc/13/12/33/645131233.db2.gz AMGVNXDCSNPEME-UHFFFAOYSA-N 2 1 284.444 2.428 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cc[nH+]c(CO)c2)C1 ZINC000858427515 645155581 /nfs/dbraw/zinc/15/55/81/645155581.db2.gz IRWVEVQBYHVUTJ-GOSISDBHSA-N 2 1 297.402 2.285 20 0 CEADMP CC(C)[C@@H](O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000878135690 651010892 /nfs/dbraw/zinc/01/08/92/651010892.db2.gz XWXCSTHYAGZBOA-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000878155508 651016808 /nfs/dbraw/zinc/01/68/08/651016808.db2.gz CFLJCOWDKXAFKK-HRCADAONSA-N 2 1 266.429 2.075 20 0 CEADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000878155508 651016810 /nfs/dbraw/zinc/01/68/10/651016810.db2.gz CFLJCOWDKXAFKK-HRCADAONSA-N 2 1 266.429 2.075 20 0 CEADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000878155508 651016811 /nfs/dbraw/zinc/01/68/11/651016811.db2.gz CFLJCOWDKXAFKK-HRCADAONSA-N 2 1 266.429 2.075 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000878166715 651021712 /nfs/dbraw/zinc/02/17/12/651021712.db2.gz CZZVHBDGRKUMJF-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000878166715 651021715 /nfs/dbraw/zinc/02/17/15/651021715.db2.gz CZZVHBDGRKUMJF-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000878166715 651021717 /nfs/dbraw/zinc/02/17/17/651021717.db2.gz CZZVHBDGRKUMJF-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000766410030 645882536 /nfs/dbraw/zinc/88/25/36/645882536.db2.gz XFZXHDUWJKHLGF-HNNXBMFYSA-N 2 1 265.445 2.077 20 0 CEADMP CN1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000766410030 645882541 /nfs/dbraw/zinc/88/25/41/645882541.db2.gz XFZXHDUWJKHLGF-HNNXBMFYSA-N 2 1 265.445 2.077 20 0 CEADMP C=C/C=C/CC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000878311136 651062536 /nfs/dbraw/zinc/06/25/36/651062536.db2.gz BCNNIIUIHZABRO-VOTSOKGWSA-N 2 1 265.445 2.077 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000767371663 645983419 /nfs/dbraw/zinc/98/34/19/645983419.db2.gz WGDYBIYZQKKVJA-HNNXBMFYSA-N 2 1 293.411 2.199 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000767371663 645983423 /nfs/dbraw/zinc/98/34/23/645983423.db2.gz WGDYBIYZQKKVJA-HNNXBMFYSA-N 2 1 293.411 2.199 20 0 CEADMP CN(CC(F)F)C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000767429155 645991797 /nfs/dbraw/zinc/99/17/97/645991797.db2.gz LKSPFKXCHLFRGL-CYBMUJFWSA-N 2 1 289.414 2.132 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000862791506 646570668 /nfs/dbraw/zinc/57/06/68/646570668.db2.gz DSCGLVSKKGAPNE-MRXNPFEDSA-N 2 1 297.487 2.347 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C[NH2+]1 ZINC000863544866 646752855 /nfs/dbraw/zinc/75/28/55/646752855.db2.gz DACIISNYBONCLW-RXGFPQBGSA-N 2 1 272.483 2.096 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000774160782 646812235 /nfs/dbraw/zinc/81/22/35/646812235.db2.gz BAVHQORUYXVMHY-OKYOBFRVSA-N 2 1 299.462 2.476 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000774160782 646812237 /nfs/dbraw/zinc/81/22/37/646812237.db2.gz BAVHQORUYXVMHY-OKYOBFRVSA-N 2 1 299.462 2.476 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000774160782 646812239 /nfs/dbraw/zinc/81/22/39/646812239.db2.gz BAVHQORUYXVMHY-OKYOBFRVSA-N 2 1 299.462 2.476 20 0 CEADMP CN1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000774160782 646812242 /nfs/dbraw/zinc/81/22/42/646812242.db2.gz BAVHQORUYXVMHY-OKYOBFRVSA-N 2 1 299.462 2.476 20 0 CEADMP CN1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000774160782 646812244 /nfs/dbraw/zinc/81/22/44/646812244.db2.gz BAVHQORUYXVMHY-OKYOBFRVSA-N 2 1 299.462 2.476 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H](NCc2cc3c(s2)CC[NH2+]C3)C1 ZINC000864055551 646874776 /nfs/dbraw/zinc/87/47/76/646874776.db2.gz SGNVBDVXNQQXKU-CYBMUJFWSA-N 2 1 293.480 2.262 20 0 CEADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000864453642 647009310 /nfs/dbraw/zinc/00/93/10/647009310.db2.gz YHEMABGZFNTFPF-OCCSQVGLSA-N 2 1 266.433 2.163 20 0 CEADMP CCC(CC)NC(=[NH2+])NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000864457295 647012599 /nfs/dbraw/zinc/01/25/99/647012599.db2.gz RJZYVDZKSHYSJR-CYBMUJFWSA-N 2 1 268.449 2.409 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864460950 647016034 /nfs/dbraw/zinc/01/60/34/647016034.db2.gz JLXGVTPUJQIYPT-OAHLLOKOSA-N 2 1 280.460 2.268 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1COC2(CCCCC2)O1 ZINC000776168048 647030710 /nfs/dbraw/zinc/03/07/10/647030710.db2.gz AIKANXJNXXYTDD-JYJNAYRXSA-N 2 1 294.439 2.279 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(F)nc2)C1 ZINC000779160986 647292712 /nfs/dbraw/zinc/29/27/12/647292712.db2.gz DWSRXXRCAXCHBD-OAHLLOKOSA-N 2 1 295.402 2.153 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000779160986 647292714 /nfs/dbraw/zinc/29/27/14/647292714.db2.gz DWSRXXRCAXCHBD-OAHLLOKOSA-N 2 1 295.402 2.153 20 0 CEADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)CCO)CC1 ZINC000779394445 647318568 /nfs/dbraw/zinc/31/85/68/647318568.db2.gz XRWZQJVDSLDQQW-OAHLLOKOSA-N 2 1 276.424 2.320 20 0 CEADMP C[N@H+]1CC=C(C[NH2+]Cc2cccnc2Br)CC1 ZINC000865522176 647338242 /nfs/dbraw/zinc/33/82/42/647338242.db2.gz LXSXNXFTNNXYLH-UHFFFAOYSA-N 2 1 296.212 2.196 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccnc2Br)CC1 ZINC000865522176 647338246 /nfs/dbraw/zinc/33/82/46/647338246.db2.gz LXSXNXFTNNXYLH-UHFFFAOYSA-N 2 1 296.212 2.196 20 0 CEADMP O[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000865875454 647517300 /nfs/dbraw/zinc/51/73/00/647517300.db2.gz PDPUDKHRQQTDOS-HRCADAONSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@@H](C1CC1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000782180428 647596795 /nfs/dbraw/zinc/59/67/95/647596795.db2.gz FHBUZPPBABWOTC-XHSDSOJGSA-N 2 1 279.472 2.275 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1)C1CC1 ZINC000866238610 647686853 /nfs/dbraw/zinc/68/68/53/647686853.db2.gz MEFJMYHDQMXJDI-OWCLPIDISA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)C1 ZINC000866239596 647688119 /nfs/dbraw/zinc/68/81/19/647688119.db2.gz YIWTWWSEDWGEKG-FVQBIDKESA-N 2 1 266.429 2.266 20 0 CEADMP Cc1[nH+]ccn1CCN[C@@H]1c2ccccc2OC[C@@H]1F ZINC000866251044 647695164 /nfs/dbraw/zinc/69/51/64/647695164.db2.gz MBSXSVOPWUCMFW-DZGCQCFKSA-N 2 1 275.327 2.253 20 0 CEADMP C[C@@H](CCc1cccnc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000866313458 647733408 /nfs/dbraw/zinc/73/34/08/647733408.db2.gz BBPWDAQUECXDCX-AWEZNQCLSA-N 2 1 259.397 2.254 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC23CCOCC3)CC[N@H+]1C ZINC000866529332 647816995 /nfs/dbraw/zinc/81/69/95/647816995.db2.gz OUOYSUCSRKPTAV-ILXRZTDVSA-N 2 1 266.429 2.266 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCCCCCNC(=O)CC1 ZINC000866684928 647868543 /nfs/dbraw/zinc/86/85/43/647868543.db2.gz WRKYORZDTMQPSC-UHFFFAOYSA-N 2 1 283.460 2.278 20 0 CEADMP CC(C)CC(=O)N1CCC[N@@H+](CCCCCC[NH3+])CC1 ZINC000866725446 647884258 /nfs/dbraw/zinc/88/42/58/647884258.db2.gz SMAFNFIVVJILQB-UHFFFAOYSA-N 2 1 283.460 2.086 20 0 CEADMP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000788556124 648202260 /nfs/dbraw/zinc/20/22/60/648202260.db2.gz FJTOFMVSGYKIGO-LBPRGKRZSA-N 2 1 288.395 2.479 20 0 CEADMP CCCOC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123218061 648848583 /nfs/dbraw/zinc/84/85/83/648848583.db2.gz NCTWLQDTXFLJLT-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[NH2+]CC2CC2)C1 ZINC000870872760 648939541 /nfs/dbraw/zinc/93/95/41/648939541.db2.gz IWUUEESMQOMMDG-AWEZNQCLSA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870990919 648972414 /nfs/dbraw/zinc/97/24/14/648972414.db2.gz HHYCYTAPTGTTIN-YOEHRIQHSA-N 2 1 295.471 2.084 20 0 CEADMP CC(C)[C@@H](C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784777 649184411 /nfs/dbraw/zinc/18/44/11/649184411.db2.gz LDIGYCQKBMBKJM-ODWCKFRGSA-N 2 1 253.390 2.402 20 0 CEADMP CC(C)[C@@H](C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784777 649184415 /nfs/dbraw/zinc/18/44/15/649184415.db2.gz LDIGYCQKBMBKJM-ODWCKFRGSA-N 2 1 253.390 2.402 20 0 CEADMP C[C@H]1C[C@@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)CC[N@H+]1C ZINC000871799032 649190023 /nfs/dbraw/zinc/19/00/23/649190023.db2.gz CUBXPRDDCBUPIY-WSOGJNRSSA-N 2 1 290.411 2.265 20 0 CEADMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C(C)(C)CC ZINC000872035225 649248100 /nfs/dbraw/zinc/24/81/00/649248100.db2.gz ULVVPEUFNFLZKF-GJZGRUSLSA-N 2 1 297.487 2.378 20 0 CEADMP CC1(C)CO[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000872106206 649279681 /nfs/dbraw/zinc/27/96/81/649279681.db2.gz PETGUYOCOHYOMI-HOTGVXAUSA-N 2 1 296.455 2.035 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC1(C)C ZINC000872122996 649284043 /nfs/dbraw/zinc/28/40/43/649284043.db2.gz QPAMNPFJRUOXAO-LBPRGKRZSA-N 2 1 289.379 2.496 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC1(C)C ZINC000872122996 649284044 /nfs/dbraw/zinc/28/40/44/649284044.db2.gz QPAMNPFJRUOXAO-LBPRGKRZSA-N 2 1 289.379 2.496 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000872143870 649293894 /nfs/dbraw/zinc/29/38/94/649293894.db2.gz YZLPXBXAJSVKQK-UUAJXVIYSA-N 2 1 278.440 2.266 20 0 CEADMP [NH3+]CCC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000872145082 649295726 /nfs/dbraw/zinc/29/57/26/649295726.db2.gz OMIXGRLSGTXGIF-UHFFFAOYSA-N 2 1 263.385 2.114 20 0 CEADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@H](C(F)(F)F)O1 ZINC000872154008 649298445 /nfs/dbraw/zinc/29/84/45/649298445.db2.gz LPJSJYOHMABJAB-DGCLKSJQSA-N 2 1 294.361 2.418 20 0 CEADMP COCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156218 649299483 /nfs/dbraw/zinc/29/94/83/649299483.db2.gz GJSCSRKXALBRQF-DZGCQCFKSA-N 2 1 254.418 2.252 20 0 CEADMP Cc1noc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156288 649299738 /nfs/dbraw/zinc/29/97/38/649299738.db2.gz HLAPFYZFLDXKIQ-ZFWWWQNUSA-N 2 1 292.427 2.498 20 0 CEADMP Cc1noc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156288 649299742 /nfs/dbraw/zinc/29/97/42/649299742.db2.gz HLAPFYZFLDXKIQ-ZFWWWQNUSA-N 2 1 292.427 2.498 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157698 649300680 /nfs/dbraw/zinc/30/06/80/649300680.db2.gz PRRYXPZYNFXLMD-HOCLYGCPSA-N 3 1 267.461 2.216 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)CC[NH2+]1 ZINC000873222867 649596681 /nfs/dbraw/zinc/59/66/81/649596681.db2.gz DEXOYLKWCPBIIY-IJEWVQPXSA-N 3 1 267.461 2.071 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@](CN)(C(C)(C)C)C2)CC[NH2+]1 ZINC000873222867 649596688 /nfs/dbraw/zinc/59/66/88/649596688.db2.gz DEXOYLKWCPBIIY-IJEWVQPXSA-N 2 1 267.461 2.071 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@](CN)(C(C)(C)C)C2)CC[NH2+]1 ZINC000873222867 649596691 /nfs/dbraw/zinc/59/66/91/649596691.db2.gz DEXOYLKWCPBIIY-IJEWVQPXSA-N 2 1 267.461 2.071 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000873223460 649597611 /nfs/dbraw/zinc/59/76/11/649597611.db2.gz NSMZKWUIHCHDLL-JSGCOSHPSA-N 2 1 256.459 2.436 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc2c1OCO2 ZINC000873231596 649602378 /nfs/dbraw/zinc/60/23/78/649602378.db2.gz QPEUHYQQRABTOU-UHFFFAOYSA-N 2 1 264.369 2.366 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2noc3ccc(F)cc23)C1 ZINC000873250219 649609223 /nfs/dbraw/zinc/60/92/23/649609223.db2.gz QJPFMXZFAQQSBH-MNOVXSKESA-N 2 1 263.316 2.326 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2noc3cc(F)ccc23)C1 ZINC000873276079 649621386 /nfs/dbraw/zinc/62/13/86/649621386.db2.gz QSDHEYBRDGMURC-GHMZBOCLSA-N 2 1 263.316 2.326 20 0 CEADMP Nc1cc(F)cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000873289675 649629118 /nfs/dbraw/zinc/62/91/18/649629118.db2.gz KJJKYHGFEDHJNL-UONOGXRCSA-N 2 1 251.349 2.158 20 0 CEADMP Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000873295553 649631147 /nfs/dbraw/zinc/63/11/47/649631147.db2.gz KDJMHPNMSZIKFZ-MFKMUULPSA-N 2 1 285.395 2.359 20 0 CEADMP C[C@H]([NH2+]C1CC(Nc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000873296236 649632068 /nfs/dbraw/zinc/63/20/68/649632068.db2.gz VXZANCXKMRODTP-MFNGEMCRSA-N 2 1 259.397 2.360 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000873930655 649730370 /nfs/dbraw/zinc/73/03/70/649730370.db2.gz RWTZNCOSQATRFA-CQSZACIVSA-N 2 1 275.396 2.029 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)O2)CCO1 ZINC000879000859 651226453 /nfs/dbraw/zinc/22/64/53/651226453.db2.gz IVNMDSIVDXWKCP-HZPDHXFCSA-N 2 1 298.471 2.377 20 0 CEADMP CC(C)CCOCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879570560 651323576 /nfs/dbraw/zinc/32/35/76/651323576.db2.gz HBXCYRPIWISYGI-HUUCEWRRSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)CCOCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879570560 651323578 /nfs/dbraw/zinc/32/35/78/651323578.db2.gz HBXCYRPIWISYGI-HUUCEWRRSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879570560 651323580 /nfs/dbraw/zinc/32/35/80/651323580.db2.gz HBXCYRPIWISYGI-HUUCEWRRSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879570560 651323581 /nfs/dbraw/zinc/32/35/81/651323581.db2.gz HBXCYRPIWISYGI-HUUCEWRRSA-N 2 1 254.418 2.075 20 0 CEADMP Cc1cccc(OCC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000879572989 651324770 /nfs/dbraw/zinc/32/47/70/651324770.db2.gz SYGSXSUZMPUHFU-WBVHZDCISA-N 2 1 274.408 2.400 20 0 CEADMP Cc1cccc(OCC[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000879572989 651324773 /nfs/dbraw/zinc/32/47/73/651324773.db2.gz SYGSXSUZMPUHFU-WBVHZDCISA-N 2 1 274.408 2.400 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879572989 651324775 /nfs/dbraw/zinc/32/47/75/651324775.db2.gz SYGSXSUZMPUHFU-WBVHZDCISA-N 2 1 274.408 2.400 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879572989 651324777 /nfs/dbraw/zinc/32/47/77/651324777.db2.gz SYGSXSUZMPUHFU-WBVHZDCISA-N 2 1 274.408 2.400 20 0 CEADMP CCOC(=O)CCCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573032 651324842 /nfs/dbraw/zinc/32/48/42/651324842.db2.gz LALNWWCXJXDUOV-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573032 651324844 /nfs/dbraw/zinc/32/48/44/651324844.db2.gz LALNWWCXJXDUOV-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573032 651324845 /nfs/dbraw/zinc/32/48/45/651324845.db2.gz LALNWWCXJXDUOV-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573032 651324847 /nfs/dbraw/zinc/32/48/47/651324847.db2.gz LALNWWCXJXDUOV-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(Cc3cccc4nsnc43)CC[C@H]21 ZINC000879577581 651325051 /nfs/dbraw/zinc/32/50/51/651325051.db2.gz YQRAMUDEMOZYBF-BXUZGUMPSA-N 2 1 288.420 2.217 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000879579578 651325501 /nfs/dbraw/zinc/32/55/01/651325501.db2.gz ADHPXMMIDNRKTF-BMFZPTHFSA-N 2 1 294.826 2.399 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000879579578 651325504 /nfs/dbraw/zinc/32/55/04/651325504.db2.gz ADHPXMMIDNRKTF-BMFZPTHFSA-N 2 1 294.826 2.399 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000879579578 651325506 /nfs/dbraw/zinc/32/55/06/651325506.db2.gz ADHPXMMIDNRKTF-BMFZPTHFSA-N 2 1 294.826 2.399 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000879579578 651325508 /nfs/dbraw/zinc/32/55/08/651325508.db2.gz ADHPXMMIDNRKTF-BMFZPTHFSA-N 2 1 294.826 2.399 20 0 CEADMP CC(C)C[N@@H+](C[C@@H](O)C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000879704637 651341481 /nfs/dbraw/zinc/34/14/81/651341481.db2.gz QWHIABCYEAPNTG-CYBMUJFWSA-N 2 1 296.377 2.209 20 0 CEADMP CC(C)C[N@@H+](CCC1OCCCO1)CC1CC[NH+](C)CC1 ZINC000879704861 651341878 /nfs/dbraw/zinc/34/18/78/651341878.db2.gz VXYDBQHREDALQE-UHFFFAOYSA-N 2 1 298.471 2.439 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2ccccn2)CCN1c1cc[nH+]cc1 ZINC000880258841 651411110 /nfs/dbraw/zinc/41/11/10/651411110.db2.gz JTKSBIUTMGBORM-OAHLLOKOSA-N 2 1 282.391 2.230 20 0 CEADMP Cc1cccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)n1 ZINC000880258342 651411161 /nfs/dbraw/zinc/41/11/61/651411161.db2.gz GIEFCKMUCVLQCU-HNNXBMFYSA-N 2 1 282.391 2.496 20 0 CEADMP Cc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)n1 ZINC000880258342 651411163 /nfs/dbraw/zinc/41/11/63/651411163.db2.gz GIEFCKMUCVLQCU-HNNXBMFYSA-N 2 1 282.391 2.496 20 0 CEADMP C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)CCN1c1cc[nH+]cc1 ZINC000880259044 651411538 /nfs/dbraw/zinc/41/15/38/651411538.db2.gz HCLJUOANROOWGC-CVEARBPZSA-N 2 1 288.439 2.076 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)CCN1c1cc[nH+]cc1 ZINC000880259122 651411879 /nfs/dbraw/zinc/41/18/79/651411879.db2.gz MYDQYPAJWDYVFZ-HOCLYGCPSA-N 2 1 289.423 2.407 20 0 CEADMP COC(C)(C)CC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259899 651411994 /nfs/dbraw/zinc/41/19/94/651411994.db2.gz LCAXLYLFYARXRG-AWEZNQCLSA-N 2 1 277.412 2.407 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2cscn2)CCN1c1cc[nH+]cc1 ZINC000880261684 651412530 /nfs/dbraw/zinc/41/25/30/651412530.db2.gz YICLUTLLFNBMFG-CYBMUJFWSA-N 2 1 288.420 2.291 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CC3(O)CCCCC3)CC[C@@H]21 ZINC000129156156 651834684 /nfs/dbraw/zinc/83/46/84/651834684.db2.gz RJZDTOXOTVXQGV-GJZGRUSLSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CC3(O)CCCCC3)CC[C@@H]21 ZINC000129156156 651834688 /nfs/dbraw/zinc/83/46/88/651834688.db2.gz RJZDTOXOTVXQGV-GJZGRUSLSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3(O)CCCCC3)CC[C@@H]21 ZINC000129156156 651834689 /nfs/dbraw/zinc/83/46/89/651834689.db2.gz RJZDTOXOTVXQGV-GJZGRUSLSA-N 2 1 266.429 2.098 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000882991293 652310226 /nfs/dbraw/zinc/31/02/26/652310226.db2.gz UALKFOSXYNKRJD-YVSFHVDLSA-N 2 1 280.456 2.392 20 0 CEADMP COC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000883169714 652387752 /nfs/dbraw/zinc/38/77/52/652387752.db2.gz AYNQSHMJXMPZEM-ULQDDVLXSA-N 2 1 298.471 2.138 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000883188486 652394251 /nfs/dbraw/zinc/39/42/51/652394251.db2.gz KZWNDCCPPKRZEK-ZDUSSCGKSA-N 2 1 290.363 2.208 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000883188486 652394255 /nfs/dbraw/zinc/39/42/55/652394255.db2.gz KZWNDCCPPKRZEK-ZDUSSCGKSA-N 2 1 290.363 2.208 20 0 CEADMP C[C@H](CCO)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883347705 652437309 /nfs/dbraw/zinc/43/73/09/652437309.db2.gz XSODRAWNMPUJJS-RHSMWYFYSA-N 2 1 289.423 2.154 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCSC1 ZINC000131582670 652438202 /nfs/dbraw/zinc/43/82/02/652438202.db2.gz SBBQOSIYKXZCEN-CYBMUJFWSA-N 2 1 253.415 2.457 20 0 CEADMP C[C@](C[NH3+])([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)C1CC1 ZINC000883418923 652462874 /nfs/dbraw/zinc/46/28/74/652462874.db2.gz WABLYHLGJKHDKM-SWLSCSKDSA-N 2 1 254.418 2.297 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000883427383 652465873 /nfs/dbraw/zinc/46/58/73/652465873.db2.gz QEBBSEXFPJSXTA-HOTGVXAUSA-N 2 1 296.455 2.023 20 0 CEADMP [NH3+]C[C@@H]([NH2+]CCCOC(F)(F)F)C1CCCCC1 ZINC000883429902 652467284 /nfs/dbraw/zinc/46/72/84/652467284.db2.gz HSTHSBBFXHJHCA-LLVKDONJSA-N 2 1 268.323 2.410 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000883435646 652468955 /nfs/dbraw/zinc/46/89/55/652468955.db2.gz YMJCSVCRKAMBSC-ZNMIVQPWSA-N 2 1 293.411 2.152 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)[C@H]1CC[NH3+] ZINC000883435064 652469039 /nfs/dbraw/zinc/46/90/39/652469039.db2.gz JQEVDWSSDSEBJH-PMPSAXMXSA-N 2 1 296.455 2.164 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H]2CCC3(CCOCC3)O2)[C@@H]1C ZINC000883445898 652472768 /nfs/dbraw/zinc/47/27/68/652472768.db2.gz PEXOMDUFZVWKNU-KLHDSHLOSA-N 2 1 296.455 2.162 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H]2CCC3(CCOCC3)O2)[C@@H]1C ZINC000883445898 652472770 /nfs/dbraw/zinc/47/27/70/652472770.db2.gz PEXOMDUFZVWKNU-KLHDSHLOSA-N 2 1 296.455 2.162 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000883447503 652472902 /nfs/dbraw/zinc/47/29/02/652472902.db2.gz DCZBFZFLLYDNCJ-NWDGAFQWSA-N 2 1 280.334 2.029 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883459492 652477410 /nfs/dbraw/zinc/47/74/10/652477410.db2.gz ZGSAKXFVXVUJKI-UHFFFAOYSA-N 2 1 253.434 2.114 20 0 CEADMP [NH3+]CCCCCCC[N@@H+]1CCNCCC12CCC2 ZINC000883459492 652477413 /nfs/dbraw/zinc/47/74/13/652477413.db2.gz ZGSAKXFVXVUJKI-UHFFFAOYSA-N 2 1 253.434 2.114 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCNCCC12CCC2 ZINC000883459492 652477416 /nfs/dbraw/zinc/47/74/16/652477416.db2.gz ZGSAKXFVXVUJKI-UHFFFAOYSA-N 2 1 253.434 2.114 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000884188688 652746914 /nfs/dbraw/zinc/74/69/14/652746914.db2.gz NMILPAGTWGBVCG-KKUMJFAQSA-N 2 1 297.487 2.375 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884219213 652755742 /nfs/dbraw/zinc/75/57/42/652755742.db2.gz KDYMBSLXBKXQRU-ZFWWWQNUSA-N 2 1 295.471 2.131 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884312977 652791350 /nfs/dbraw/zinc/79/13/50/652791350.db2.gz SOIPOHRWZICDHQ-KBPBESRZSA-N 2 1 285.476 2.233 20 0 CEADMP CCc1cc(N2CCC(C[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000359724867 721947019 /nfs/dbraw/zinc/94/70/19/721947019.db2.gz NUYBIIXDMVMCSA-UHFFFAOYSA-N 2 1 262.401 2.125 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1CC ZINC001087726608 805780571 /nfs/dbraw/zinc/78/05/71/805780571.db2.gz LWDMXGXCFURXAO-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1CC ZINC001087726608 805780579 /nfs/dbraw/zinc/78/05/79/805780579.db2.gz LWDMXGXCFURXAO-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1CC ZINC001087726608 805780587 /nfs/dbraw/zinc/78/05/87/805780587.db2.gz LWDMXGXCFURXAO-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CC([NH+]2CC(CO)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168051375 805931971 /nfs/dbraw/zinc/93/19/71/805931971.db2.gz IAVCLXOLAAPVNN-HUUCEWRRSA-N 2 1 288.435 2.352 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)NCCC3)C1 ZINC001205015699 805944269 /nfs/dbraw/zinc/94/42/69/805944269.db2.gz CWSCPDGOSOBHFB-OAHLLOKOSA-N 2 1 273.424 2.476 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001029755639 806064176 /nfs/dbraw/zinc/06/41/76/806064176.db2.gz NKJGYKATQFKTLD-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001029755639 806064184 /nfs/dbraw/zinc/06/41/84/806064184.db2.gz NKJGYKATQFKTLD-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001029755639 806064194 /nfs/dbraw/zinc/06/41/94/806064194.db2.gz NKJGYKATQFKTLD-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001088280119 806081083 /nfs/dbraw/zinc/08/10/83/806081083.db2.gz JFQUBKAAHNHRNT-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001088327473 806119399 /nfs/dbraw/zinc/11/93/99/806119399.db2.gz NWWAGASSZMTLJT-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001088336909 806134377 /nfs/dbraw/zinc/13/43/77/806134377.db2.gz PGLPBSKUZHEGRK-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC001168092935 806147015 /nfs/dbraw/zinc/14/70/15/806147015.db2.gz JYTDEHPUWBSNJH-BPUTZDHNSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC001168092935 806147022 /nfs/dbraw/zinc/14/70/22/806147022.db2.gz JYTDEHPUWBSNJH-BPUTZDHNSA-N 2 1 266.429 2.408 20 0 CEADMP CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001088369234 806153984 /nfs/dbraw/zinc/15/39/84/806153984.db2.gz DJANDJCWHBQVGD-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)C2 ZINC001168235468 806426680 /nfs/dbraw/zinc/42/66/80/806426680.db2.gz JOKIOBVUJKDHJL-HZPDHXFCSA-N 2 1 274.408 2.236 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C2 ZINC001168246126 806438678 /nfs/dbraw/zinc/43/86/78/806438678.db2.gz FSCIUYKHZIQOQS-CVEARBPZSA-N 2 1 274.408 2.236 20 0 CEADMP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001042711286 806612868 /nfs/dbraw/zinc/61/28/68/806612868.db2.gz PYMGWDRUBVMWQR-ZBFHGGJFSA-N 2 1 295.471 2.048 20 0 CEADMP COc1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3C[C@@]3(C[NH+](C)C)C1)C2 ZINC001168286138 806628376 /nfs/dbraw/zinc/62/83/76/806628376.db2.gz IRJMSXVJYXRXNR-JFIYKMOQSA-N 2 1 286.419 2.046 20 0 CEADMP COC(=O)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C(C)(C)C ZINC001168294964 806632413 /nfs/dbraw/zinc/63/24/13/806632413.db2.gz LFAQTFHURGTDOU-WXRRBKDZSA-N 2 1 270.417 2.037 20 0 CEADMP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCC[C@@]1(C)O ZINC001168313994 806645959 /nfs/dbraw/zinc/64/59/59/806645959.db2.gz HYUSMICJXDXCIX-SLTXQBBLSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC3(C2)CCOCC3)CC1 ZINC001168324659 806653737 /nfs/dbraw/zinc/65/37/37/806653737.db2.gz TVGQQXGCYCATLJ-UHFFFAOYSA-N 2 1 266.429 2.362 20 0 CEADMP CC(=O)[C@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168328194 806658028 /nfs/dbraw/zinc/65/80/28/806658028.db2.gz ZCKUCQIAAGOPNB-NFOMZHRRSA-N 2 1 252.402 2.160 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]C(C)C)CC1 ZINC001168335391 806662699 /nfs/dbraw/zinc/66/26/99/806662699.db2.gz HHNYRCSRBLMNRN-HNNXBMFYSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1cn2c(C[NH2+]CC[C@H](C)[NH+](C)C)c(C)nc2s1 ZINC000697921522 806761398 /nfs/dbraw/zinc/76/13/98/806761398.db2.gz WBKAFLPKXUOKLI-JTQLQIEISA-N 2 1 280.441 2.442 20 0 CEADMP OCC[N@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168372431 806965930 /nfs/dbraw/zinc/96/59/30/806965930.db2.gz WXDFZNXECDMQNG-UHFFFAOYSA-N 2 1 288.435 2.355 20 0 CEADMP OCC[N@@H+](Cc1ccccc1)C1CC[NH+](CC2CC2)CC1 ZINC001168372431 806965932 /nfs/dbraw/zinc/96/59/32/806965932.db2.gz WXDFZNXECDMQNG-UHFFFAOYSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@]1(O)CCC[N@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168373336 806972168 /nfs/dbraw/zinc/97/21/68/806972168.db2.gz OULWUGCLGXOMFA-INIZCTEOSA-N 2 1 266.429 2.098 20 0 CEADMP C[C@@H]1CC(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000724506237 802467703 /nfs/dbraw/zinc/46/77/03/802467703.db2.gz FPHFGNBGJDWAIB-NQBHXWOUSA-N 2 1 276.371 2.106 20 0 CEADMP COCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209214122 802486589 /nfs/dbraw/zinc/48/65/89/802486589.db2.gz LTPIPCGOFKJHJW-QZTJIDSGSA-N 2 1 288.435 2.477 20 0 CEADMP COCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209214122 802486593 /nfs/dbraw/zinc/48/65/93/802486593.db2.gz LTPIPCGOFKJHJW-QZTJIDSGSA-N 2 1 288.435 2.477 20 0 CEADMP COCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209214122 802486596 /nfs/dbraw/zinc/48/65/96/802486596.db2.gz LTPIPCGOFKJHJW-QZTJIDSGSA-N 2 1 288.435 2.477 20 0 CEADMP Cc1[nH+]ccn1-c1ccccc1CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC001209873697 802584382 /nfs/dbraw/zinc/58/43/82/802584382.db2.gz FZBVTNYYGOFSAC-OKILXGFUSA-N 2 1 284.407 2.363 20 0 CEADMP CC(C)C[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001167223825 802589394 /nfs/dbraw/zinc/58/93/94/802589394.db2.gz AVRDXPWLKDLIIV-HNNXBMFYSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)C[C@@H]1C[NH3+] ZINC000721440218 802650232 /nfs/dbraw/zinc/65/02/32/802650232.db2.gz BRKWAEGXZQNOMX-RHYQMDGZSA-N 2 1 280.334 2.013 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)C[C@@H]1C[NH3+] ZINC000721440218 802650234 /nfs/dbraw/zinc/65/02/34/802650234.db2.gz BRKWAEGXZQNOMX-RHYQMDGZSA-N 2 1 280.334 2.013 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1COc2ccccc2O1 ZINC000710841971 809996186 /nfs/dbraw/zinc/99/61/86/809996186.db2.gz MLNBQBLUNWRIAC-AWEZNQCLSA-N 2 1 278.396 2.277 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001266639508 802807647 /nfs/dbraw/zinc/80/76/47/802807647.db2.gz BJWTZBAHSRGEOX-WKILWMFISA-N 2 1 295.471 2.144 20 0 CEADMP CC1(C)C[C@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000398279451 802816691 /nfs/dbraw/zinc/81/66/91/802816691.db2.gz FQNFBWOJRAPFKF-MWDXBVQZSA-N 2 1 286.419 2.274 20 0 CEADMP CC1(C)C[C@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000398279451 802816697 /nfs/dbraw/zinc/81/66/97/802816697.db2.gz FQNFBWOJRAPFKF-MWDXBVQZSA-N 2 1 286.419 2.274 20 0 CEADMP Cc1nc(C)c(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)o1 ZINC000723651339 802917201 /nfs/dbraw/zinc/91/72/01/802917201.db2.gz UBBDBOAMXMAOBQ-BREBYQMCSA-N 2 1 251.374 2.097 20 0 CEADMP C1C[N@@H+]2CCCC[C@H]2[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723663024 802921933 /nfs/dbraw/zinc/92/19/33/802921933.db2.gz KOJIZNMHWNTTSR-BIVLZKPYSA-N 2 1 278.440 2.408 20 0 CEADMP C1C[N@H+]2CCCC[C@H]2[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723663024 802921938 /nfs/dbraw/zinc/92/19/38/802921938.db2.gz KOJIZNMHWNTTSR-BIVLZKPYSA-N 2 1 278.440 2.408 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000723690645 802924677 /nfs/dbraw/zinc/92/46/77/802924677.db2.gz VFKNXGNMGPBAGV-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399114820 802950952 /nfs/dbraw/zinc/95/09/52/802950952.db2.gz MHUQBYYGRLGXLB-IPYPFGDCSA-N 2 1 262.397 2.443 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C[C@H]1CC[NH3+] ZINC000723882629 802963699 /nfs/dbraw/zinc/96/36/99/802963699.db2.gz KMEQDCCOBODQAX-MGPQQGTHSA-N 2 1 268.445 2.497 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCCOC1 ZINC000723951867 802973262 /nfs/dbraw/zinc/97/32/62/802973262.db2.gz POKSYWFJEPVDEK-XQLPTFJDSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCCOC1 ZINC000723951867 802973266 /nfs/dbraw/zinc/97/32/66/802973266.db2.gz POKSYWFJEPVDEK-XQLPTFJDSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCCOC1 ZINC000723951863 802973504 /nfs/dbraw/zinc/97/35/04/802973504.db2.gz POKSYWFJEPVDEK-BARDWOONSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCCOC1 ZINC000723951863 802973507 /nfs/dbraw/zinc/97/35/07/802973507.db2.gz POKSYWFJEPVDEK-BARDWOONSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1ccc2cc[nH+]c(N3CC[C@@](F)(C[NH3+])C3)c2c1 ZINC001157812363 812474129 /nfs/dbraw/zinc/47/41/29/812474129.db2.gz AMEBDFONRWKEAD-OAHLLOKOSA-N 2 1 259.328 2.420 20 0 CEADMP FC(F)(F)[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCS1 ZINC000721486672 803029016 /nfs/dbraw/zinc/02/90/16/803029016.db2.gz NPKSTPCISWUQDA-GHMZBOCLSA-N 2 1 282.375 2.356 20 0 CEADMP CC(C)=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001038238132 803123701 /nfs/dbraw/zinc/12/37/01/803123701.db2.gz FSSBQEMVMHDDNF-HOTGVXAUSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001038238132 803123707 /nfs/dbraw/zinc/12/37/07/803123707.db2.gz FSSBQEMVMHDDNF-HOTGVXAUSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001038238132 803123711 /nfs/dbraw/zinc/12/37/11/803123711.db2.gz FSSBQEMVMHDDNF-HOTGVXAUSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001038238132 803123716 /nfs/dbraw/zinc/12/37/16/803123716.db2.gz FSSBQEMVMHDDNF-HOTGVXAUSA-N 2 1 293.455 2.016 20 0 CEADMP CC1(C)CC([NH3+])CC(C)(C)N1c1ccc2c([nH+]1)NCCO2 ZINC001167626583 803216676 /nfs/dbraw/zinc/21/66/76/803216676.db2.gz ODAMZXKVPXQNIQ-UHFFFAOYSA-N 2 1 290.411 2.371 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCOC(C)(C)C3)C[C@@H]2C1 ZINC001207362600 803270489 /nfs/dbraw/zinc/27/04/89/803270489.db2.gz CQNQSWDEZVHJCZ-HRCADAONSA-N 2 1 280.456 2.465 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCOC(C)(C)C3)C[C@@H]2C1 ZINC001207362600 803270493 /nfs/dbraw/zinc/27/04/93/803270493.db2.gz CQNQSWDEZVHJCZ-HRCADAONSA-N 2 1 280.456 2.465 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCOC(C)(C)C3)C[C@@H]2C1 ZINC001207362600 803270499 /nfs/dbraw/zinc/27/04/99/803270499.db2.gz CQNQSWDEZVHJCZ-HRCADAONSA-N 2 1 280.456 2.465 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721534810 803313850 /nfs/dbraw/zinc/31/38/50/803313850.db2.gz XURNVPYMFIASIZ-ZIAGYGMSSA-N 2 1 265.401 2.375 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CC[C@@H]1[NH3+] ZINC000693978913 803453750 /nfs/dbraw/zinc/45/37/50/803453750.db2.gz AQDILOOWHHFUOY-OCCSQVGLSA-N 2 1 258.369 2.122 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCC1CC1 ZINC001267437305 803465979 /nfs/dbraw/zinc/46/59/79/803465979.db2.gz RXPQADWAJKWWPY-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP C([NH2+][C@@H]1CCCC12CCC2)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000394812586 803642022 /nfs/dbraw/zinc/64/20/22/803642022.db2.gz PFSBEYTURAWZET-RBSFLKMASA-N 2 1 264.413 2.162 20 0 CEADMP C([NH2+][C@@H]1CCCC12CCC2)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000394812586 803642029 /nfs/dbraw/zinc/64/20/29/803642029.db2.gz PFSBEYTURAWZET-RBSFLKMASA-N 2 1 264.413 2.162 20 0 CEADMP C([C@@H]1CC[C@H](C2CC2)O1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000715404433 814954474 /nfs/dbraw/zinc/95/44/74/814954474.db2.gz RRHHLPSYIYDLNW-XHSDSOJGSA-N 2 1 264.413 2.020 20 0 CEADMP CC(=O)[C@H]1CCC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207487183 803807635 /nfs/dbraw/zinc/80/76/35/803807635.db2.gz RQLKWKDAVVLUMZ-HNNXBMFYSA-N 2 1 252.402 2.019 20 0 CEADMP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)CC1 ZINC001207487262 803809530 /nfs/dbraw/zinc/80/95/30/803809530.db2.gz VQZPWFLCBMNLRE-RWMBFGLXSA-N 2 1 292.345 2.122 20 0 CEADMP C[NH+]1CCC(CC[N@H+]2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)CC1 ZINC001207487262 803809537 /nfs/dbraw/zinc/80/95/37/803809537.db2.gz VQZPWFLCBMNLRE-RWMBFGLXSA-N 2 1 292.345 2.122 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNc1cccc(C[NH3+])n1 ZINC001167753734 803841314 /nfs/dbraw/zinc/84/13/14/803841314.db2.gz MIUMGHWYBVDKGS-ZDUSSCGKSA-N 2 1 262.401 2.217 20 0 CEADMP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000715575055 814980393 /nfs/dbraw/zinc/98/03/93/814980393.db2.gz WHJGBHFJRQHWNX-JCCCHCCOSA-N 3 1 279.472 2.466 20 0 CEADMP CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001027475168 804084876 /nfs/dbraw/zinc/08/48/76/804084876.db2.gz NYWQTMIJDSWXQL-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001027475168 804084884 /nfs/dbraw/zinc/08/48/84/804084884.db2.gz NYWQTMIJDSWXQL-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001027475168 804084892 /nfs/dbraw/zinc/08/48/92/804084892.db2.gz NYWQTMIJDSWXQL-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001167815355 804360790 /nfs/dbraw/zinc/36/07/90/804360790.db2.gz RNEGRPLVDTVPBQ-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027970887 804372837 /nfs/dbraw/zinc/37/28/37/804372837.db2.gz UTSPDEKJBHGLCJ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027970887 804372845 /nfs/dbraw/zinc/37/28/45/804372845.db2.gz UTSPDEKJBHGLCJ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001027970887 804372854 /nfs/dbraw/zinc/37/28/54/804372854.db2.gz UTSPDEKJBHGLCJ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001027970887 804372862 /nfs/dbraw/zinc/37/28/62/804372862.db2.gz UTSPDEKJBHGLCJ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001167833559 804411074 /nfs/dbraw/zinc/41/10/74/804411074.db2.gz CLASTUDYIQONDP-PMPSAXMXSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCN(C(C)(C)C)C(=O)C1 ZINC001167836529 804429758 /nfs/dbraw/zinc/42/97/58/804429758.db2.gz FCADFUZDJVWUNA-OAHLLOKOSA-N 2 1 297.487 2.440 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(C(C)(C)C)C(=O)C1 ZINC001167836529 804429763 /nfs/dbraw/zinc/42/97/63/804429763.db2.gz FCADFUZDJVWUNA-OAHLLOKOSA-N 2 1 297.487 2.440 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001028088538 804444889 /nfs/dbraw/zinc/44/48/89/804444889.db2.gz LADSDXAKRKOPTM-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001028088538 804444894 /nfs/dbraw/zinc/44/48/94/804444894.db2.gz LADSDXAKRKOPTM-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001028088538 804444898 /nfs/dbraw/zinc/44/48/98/804444898.db2.gz LADSDXAKRKOPTM-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001268179350 804528456 /nfs/dbraw/zinc/52/84/56/804528456.db2.gz ODNZKVWNFLYXRT-JKSUJKDBSA-N 2 1 297.487 2.345 20 0 CEADMP Cc1noc2ccc(NC(=[NH2+])SCC[NH3+])cc12 ZINC001167911913 804692833 /nfs/dbraw/zinc/69/28/33/804692833.db2.gz GVFSZACLWMZKQW-UHFFFAOYSA-N 2 1 250.327 2.175 20 0 CEADMP [NH2+]=C(Nc1ccc(OCC2CCC2)nc1)SCC[NH3+] ZINC001167911636 804693907 /nfs/dbraw/zinc/69/39/07/804693907.db2.gz BSKRREMRZPIJJE-UHFFFAOYSA-N 2 1 280.397 2.299 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CC3(c4ccccc4)CC3)C[C@@H]2C1 ZINC001207839438 804695118 /nfs/dbraw/zinc/69/51/18/804695118.db2.gz NYHYDTJWKSSTMS-GASCZTMLSA-N 2 1 256.393 2.212 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CC3(c4ccccc4)CC3)C[C@@H]2C1 ZINC001207839438 804695123 /nfs/dbraw/zinc/69/51/23/804695123.db2.gz NYHYDTJWKSSTMS-GASCZTMLSA-N 2 1 256.393 2.212 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CC3(c4ccccc4)CC3)C[C@@H]2C1 ZINC001207839438 804695126 /nfs/dbraw/zinc/69/51/26/804695126.db2.gz NYHYDTJWKSSTMS-GASCZTMLSA-N 2 1 256.393 2.212 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268945898 805008754 /nfs/dbraw/zinc/00/87/54/805008754.db2.gz ICFJXMDDRCYDSM-JKSUJKDBSA-N 2 1 297.487 2.058 20 0 CEADMP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001269039224 805031608 /nfs/dbraw/zinc/03/16/08/805031608.db2.gz RTSJGVQEMUYDIK-XETQRACLSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001269039224 805031621 /nfs/dbraw/zinc/03/16/21/805031621.db2.gz RTSJGVQEMUYDIK-XETQRACLSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001269039224 805031630 /nfs/dbraw/zinc/03/16/30/805031630.db2.gz RTSJGVQEMUYDIK-XETQRACLSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001269039224 805031637 /nfs/dbraw/zinc/03/16/37/805031637.db2.gz RTSJGVQEMUYDIK-XETQRACLSA-N 2 1 293.455 2.018 20 0 CEADMP CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001269071150 805041719 /nfs/dbraw/zinc/04/17/19/805041719.db2.gz CVWUPACFTPQAJA-ARFHVFGLSA-N 2 1 295.471 2.001 20 0 CEADMP CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001269408339 805155773 /nfs/dbraw/zinc/15/57/73/805155773.db2.gz NLQSFMBJYLJGMG-SOUVJXGZSA-N 2 1 283.460 2.001 20 0 CEADMP CCOCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958952 805296586 /nfs/dbraw/zinc/29/65/86/805296586.db2.gz KSOXOGLXUVYGRE-MQVJKMGUSA-N 2 1 266.429 2.408 20 0 CEADMP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001270083687 805333648 /nfs/dbraw/zinc/33/36/48/805333648.db2.gz QMFINSKVIYXLAZ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1nccn1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167962175 805380224 /nfs/dbraw/zinc/38/02/24/805380224.db2.gz VBTOEHXVWIOKJB-ALOPSCKCSA-N 2 1 288.439 2.187 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167962175 805380233 /nfs/dbraw/zinc/38/02/33/805380233.db2.gz VBTOEHXVWIOKJB-ALOPSCKCSA-N 3 1 288.439 2.187 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167962175 805380241 /nfs/dbraw/zinc/38/02/41/805380241.db2.gz VBTOEHXVWIOKJB-ALOPSCKCSA-N 3 1 288.439 2.187 20 0 CEADMP CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)COC1 ZINC001167962583 805402026 /nfs/dbraw/zinc/40/20/26/805402026.db2.gz YUZNHSBWURUBJZ-GOOCMWNKSA-N 2 1 264.413 2.018 20 0 CEADMP CN(C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(C)(C)C[NH3+] ZINC001167967061 805488017 /nfs/dbraw/zinc/48/80/17/805488017.db2.gz ALEUUIWTPVTLCB-YIONKMFJSA-N 2 1 265.445 2.061 20 0 CEADMP CC[NH+](CCOC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167984335 805528304 /nfs/dbraw/zinc/52/83/04/805528304.db2.gz NCHPBVUXYZJIDQ-XYPWUTKMSA-N 2 1 266.429 2.360 20 0 CEADMP CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001029173039 805570227 /nfs/dbraw/zinc/57/02/27/805570227.db2.gz JXLGDQWGKLEELS-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030301816 807141579 /nfs/dbraw/zinc/14/15/79/807141579.db2.gz PLJSVRXQHWKTHB-INIZCTEOSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC[C@H]2CO)c1 ZINC001232145804 807222645 /nfs/dbraw/zinc/22/26/45/807222645.db2.gz YXHUDCIPEZBHJK-INIZCTEOSA-N 2 1 280.387 2.234 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C[C@H]1C[NH3+] ZINC000716300289 815110882 /nfs/dbraw/zinc/11/08/82/815110882.db2.gz DYZBQBCUEGEBHJ-KFWWJZLASA-N 2 1 266.429 2.252 20 0 CEADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000716335699 815115487 /nfs/dbraw/zinc/11/54/87/815115487.db2.gz RUSNSFMGQICCEE-NVXWUHKLSA-N 2 1 278.440 2.411 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)[C@H]1CCCC[NH2+]1 ZINC000716596105 815129602 /nfs/dbraw/zinc/12/96/02/815129602.db2.gz XJEYDJXPQFPKCJ-SOUVJXGZSA-N 2 1 266.429 2.456 20 0 CEADMP [NH3+][C@@H]1CCC[N@@H+](CCc2ccc(F)c(F)c2)CC1 ZINC001205093664 807570816 /nfs/dbraw/zinc/57/08/16/807570816.db2.gz DLZNHNSXIHBFAC-GFCCVEGCSA-N 2 1 254.324 2.321 20 0 CEADMP CO[C@H]([C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000388294460 807635131 /nfs/dbraw/zinc/63/51/31/807635131.db2.gz YYVLGEIMIJZFLR-JHYKVQOGSA-N 2 1 252.402 2.015 20 0 CEADMP C[C@@H]1SCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000699228033 807658142 /nfs/dbraw/zinc/65/81/42/807658142.db2.gz XRYHMNHVMWJOOS-WSOGJNRSSA-N 2 1 254.443 2.343 20 0 CEADMP COc1c(C)ccc(F)c1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205130409 807734576 /nfs/dbraw/zinc/73/45/76/807734576.db2.gz DWVMRUYTAAYJIA-GFCCVEGCSA-N 2 1 266.360 2.456 20 0 CEADMP COc1c(C)ccc(F)c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205130409 807734578 /nfs/dbraw/zinc/73/45/78/807734578.db2.gz DWVMRUYTAAYJIA-GFCCVEGCSA-N 2 1 266.360 2.456 20 0 CEADMP CCc1cc(CN2CCC(n3ccnc3)CC2)on1 ZINC001203226181 807749357 /nfs/dbraw/zinc/74/93/57/807749357.db2.gz GTRZMPDPFVFIJD-UHFFFAOYSA-N 2 1 260.341 2.271 20 0 CEADMP C[C@@H](CCN1CC[NH2+]C[C@@]12CC[NH2+]C2)CC(C)(C)C ZINC001234982821 807756264 /nfs/dbraw/zinc/75/62/64/807756264.db2.gz WENQQPMURUOPRU-HOCLYGCPSA-N 2 1 267.461 2.086 20 0 CEADMP Cc1ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235009300 807758763 /nfs/dbraw/zinc/75/87/63/807758763.db2.gz YZYSJYKDVWXKCJ-KRWDZBQOSA-N 2 1 274.408 2.197 20 0 CEADMP Cc1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235009300 807758768 /nfs/dbraw/zinc/75/87/68/807758768.db2.gz YZYSJYKDVWXKCJ-KRWDZBQOSA-N 2 1 274.408 2.197 20 0 CEADMP CCc1ncc(C[NH+]2CC3(C2)CC[NH+](C)CC3)s1 ZINC001237829514 808260355 /nfs/dbraw/zinc/26/03/55/808260355.db2.gz VEVBAPCTLRMRFD-UHFFFAOYSA-N 2 1 265.426 2.233 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1C[C@]1(C)Br ZINC001120053734 815192976 /nfs/dbraw/zinc/19/29/76/815192976.db2.gz NHNUQJCNVOJSPG-VOAKCMCISA-N 2 1 289.261 2.432 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1C[C@]1(C)Br ZINC001120053734 815192979 /nfs/dbraw/zinc/19/29/79/815192979.db2.gz NHNUQJCNVOJSPG-VOAKCMCISA-N 2 1 289.261 2.432 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@@H]1C[C@]1(C)Br ZINC001120053734 815192982 /nfs/dbraw/zinc/19/29/82/815192982.db2.gz NHNUQJCNVOJSPG-VOAKCMCISA-N 2 1 289.261 2.432 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@@H]1C[C@]1(C)Br ZINC001120053734 815192984 /nfs/dbraw/zinc/19/29/84/815192984.db2.gz NHNUQJCNVOJSPG-VOAKCMCISA-N 2 1 289.261 2.432 20 0 CEADMP CC[C@@H]1COC(C)(C)C[N@H+]1CC1CC[NH+](C)CC1 ZINC001120057995 815193581 /nfs/dbraw/zinc/19/35/81/815193581.db2.gz MJGGVCRWDYZPCN-CQSZACIVSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171548024 815193768 /nfs/dbraw/zinc/19/37/68/815193768.db2.gz ZZUGAKNTKVMDRB-HZPDHXFCSA-N 2 1 297.487 2.391 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2C1 ZINC001120071837 815195597 /nfs/dbraw/zinc/19/55/97/815195597.db2.gz NWHAAXQRIDRRFB-LVQVYYBASA-N 2 1 266.429 2.075 20 0 CEADMP FC(F)(F)[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000687579101 808396726 /nfs/dbraw/zinc/39/67/26/808396726.db2.gz QBMIUBZLGWBWIX-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000687579101 808396734 /nfs/dbraw/zinc/39/67/34/808396734.db2.gz QBMIUBZLGWBWIX-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP CC/C=C/CC[NH2+]C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001203455646 808429822 /nfs/dbraw/zinc/42/98/22/808429822.db2.gz HWEFABQBIWXSBO-VOTSOKGWSA-N 2 1 295.471 2.265 20 0 CEADMP CNC(=O)[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C(C)(C)C ZINC001171623588 815206146 /nfs/dbraw/zinc/20/61/46/815206146.db2.gz DADDKVNJRJJKKH-CYBMUJFWSA-N 2 1 297.487 2.388 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC001205210786 808565860 /nfs/dbraw/zinc/56/58/60/808565860.db2.gz QYXAUTNUYOMYCZ-GFCCVEGCSA-N 2 1 274.817 2.077 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@@H+](CCCCc2ccccc2)CC1 ZINC001205211801 808568826 /nfs/dbraw/zinc/56/88/26/808568826.db2.gz VYYMFHSVILPKLC-QGZVFWFLSA-N 2 1 276.424 2.185 20 0 CEADMP CCC[N@@H+](C[C@@H](COC)C(C)C)C1CC[NH2+]CC1 ZINC000721911475 808594041 /nfs/dbraw/zinc/59/40/41/808594041.db2.gz JMNMRSVYHSIBCK-AWEZNQCLSA-N 2 1 256.434 2.369 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)ccc1Cl ZINC001205221014 808625052 /nfs/dbraw/zinc/62/50/52/808625052.db2.gz OUEAUASCRFHYFB-OAHLLOKOSA-N 2 1 298.814 2.024 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH+]2CC)C1 ZINC001120449528 815223300 /nfs/dbraw/zinc/22/33/00/815223300.db2.gz NSZCKPCUOGZQOV-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC)C1 ZINC001120449528 815223302 /nfs/dbraw/zinc/22/33/02/815223302.db2.gz NSZCKPCUOGZQOV-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC)C1 ZINC001120449528 815223306 /nfs/dbraw/zinc/22/33/06/815223306.db2.gz NSZCKPCUOGZQOV-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]C[C@@H](C)CC(C)C ZINC001171763241 815227808 /nfs/dbraw/zinc/22/78/08/815227808.db2.gz WHEQUEFCEHCAFX-HNNXBMFYSA-N 2 1 285.476 2.106 20 0 CEADMP C[C@H]1C[C@@H](N(C)[C@@H]2CC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC001171768998 815229089 /nfs/dbraw/zinc/22/90/89/815229089.db2.gz XWZGABOTEYRWSE-CGTJXYLNSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@H]1C[C@@H](N(C)[C@@H]2CC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC001171768998 815229095 /nfs/dbraw/zinc/22/90/95/815229095.db2.gz XWZGABOTEYRWSE-CGTJXYLNSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@H]1C[C@@H](N(C)[C@@H]2CC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC001171768998 815229099 /nfs/dbraw/zinc/22/90/99/815229099.db2.gz XWZGABOTEYRWSE-CGTJXYLNSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@H]1C[C@@H](NC[C@@H]2CC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC001171740368 815232693 /nfs/dbraw/zinc/23/26/93/815232693.db2.gz JXSKMCOLKANEBU-RYQLBKOJSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H]1C[C@@H](NC[C@@H]2CC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC001171740368 815232697 /nfs/dbraw/zinc/23/26/97/815232697.db2.gz JXSKMCOLKANEBU-RYQLBKOJSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H]1C[C@@H](NC[C@@H]2CC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC001171740368 815232702 /nfs/dbraw/zinc/23/27/02/815232702.db2.gz JXSKMCOLKANEBU-RYQLBKOJSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)CN1Cc1ccccc1 ZINC001171740368 815232706 /nfs/dbraw/zinc/23/27/06/815232706.db2.gz JXSKMCOLKANEBU-RYQLBKOJSA-N 2 1 287.451 2.191 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CC1 ZINC000691352264 808873152 /nfs/dbraw/zinc/87/31/52/808873152.db2.gz WBQSNVWTJHYTRR-ZDUSSCGKSA-N 2 1 294.361 2.108 20 0 CEADMP C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963019 815253468 /nfs/dbraw/zinc/25/34/68/815253468.db2.gz GNKMJSMKYCPTND-HOCLYGCPSA-N 2 1 276.424 2.400 20 0 CEADMP CCCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320314 809266095 /nfs/dbraw/zinc/26/60/95/809266095.db2.gz UVTKGEOBNOBZHO-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP COc1cncc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000700051548 809275764 /nfs/dbraw/zinc/27/57/64/809275764.db2.gz XUDFOPLVVDKAOA-AWEZNQCLSA-N 2 1 277.412 2.444 20 0 CEADMP COc1cncc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000700051548 809275769 /nfs/dbraw/zinc/27/57/69/809275769.db2.gz XUDFOPLVVDKAOA-AWEZNQCLSA-N 2 1 277.412 2.444 20 0 CEADMP COc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1F ZINC000700455434 809318936 /nfs/dbraw/zinc/31/89/36/809318936.db2.gz RCOSNHRIPYEJLF-LLVKDONJSA-N 2 1 254.349 2.264 20 0 CEADMP C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1nnc2ccccn21 ZINC001172099606 815283365 /nfs/dbraw/zinc/28/33/65/815283365.db2.gz LKCZRVYZFGXRDX-TUVASFSCSA-N 2 1 299.422 2.395 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1nnc2ccccn21 ZINC001172099606 815283371 /nfs/dbraw/zinc/28/33/71/815283371.db2.gz LKCZRVYZFGXRDX-TUVASFSCSA-N 2 1 299.422 2.395 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1nnc2ccccn21 ZINC001172099606 815283374 /nfs/dbraw/zinc/28/33/74/815283374.db2.gz LKCZRVYZFGXRDX-TUVASFSCSA-N 2 1 299.422 2.395 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCC[NH+]1CCCC1)C2 ZINC001172100211 815284262 /nfs/dbraw/zinc/28/42/62/815284262.db2.gz BDTYKSVSNMDTHE-OSYLJGHBSA-N 3 1 279.472 2.467 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCC[NH+]1CCCC1)C2 ZINC001172100211 815284270 /nfs/dbraw/zinc/28/42/70/815284270.db2.gz BDTYKSVSNMDTHE-OSYLJGHBSA-N 2 1 279.472 2.467 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001033688447 809382636 /nfs/dbraw/zinc/38/26/36/809382636.db2.gz QQZPRBACWUCPQL-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001033688447 809382639 /nfs/dbraw/zinc/38/26/39/809382639.db2.gz QQZPRBACWUCPQL-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H](C[NH+]1CCCC1)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100183 815284980 /nfs/dbraw/zinc/28/49/80/815284980.db2.gz APFWTYFUIXODTJ-YHUYYLMFSA-N 2 1 265.445 2.076 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(N3CC(F)C3)CC1)C2 ZINC001172125406 815285846 /nfs/dbraw/zinc/28/58/46/815285846.db2.gz QQAHCBBOZFCNEW-FVQHAEBGSA-N 2 1 295.446 2.120 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(N3CC(F)C3)CC1)C2 ZINC001172125406 815285850 /nfs/dbraw/zinc/28/58/50/815285850.db2.gz QQAHCBBOZFCNEW-FVQHAEBGSA-N 2 1 295.446 2.120 20 0 CEADMP CCOCC[NH+](CCOCC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172126674 815287350 /nfs/dbraw/zinc/28/73/50/815287350.db2.gz XYJLVYRDSVQZFH-BJWYYQGGSA-N 2 1 298.471 2.377 20 0 CEADMP CCO[C@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000701778681 809459633 /nfs/dbraw/zinc/45/96/33/809459633.db2.gz ZCQSGWUYKIRQIL-DKUMPPAJSA-N 2 1 252.402 2.018 20 0 CEADMP COC(=O)c1cccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001117868471 809482249 /nfs/dbraw/zinc/48/22/49/809482249.db2.gz NBWTYXWATDBGDP-AWEZNQCLSA-N 2 1 290.407 2.295 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(F)CCOCC1)C2 ZINC001172107754 815297107 /nfs/dbraw/zinc/29/71/07/815297107.db2.gz KPWCDPWIBXLMSX-ZSOGYDGISA-N 2 1 270.392 2.110 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034463343 809610487 /nfs/dbraw/zinc/61/04/87/809610487.db2.gz SNHVANXULIPRHW-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034463389 809610521 /nfs/dbraw/zinc/61/05/21/809610521.db2.gz TVGYKXXJXAMQDF-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCCO1 ZINC001172115727 815304056 /nfs/dbraw/zinc/30/40/56/815304056.db2.gz ZKEHFACXTGQRMU-RMEBNNNOSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCO1 ZINC001172115727 815304063 /nfs/dbraw/zinc/30/40/63/815304063.db2.gz ZKEHFACXTGQRMU-RMEBNNNOSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccnc(F)c1)C2 ZINC001172118804 815306289 /nfs/dbraw/zinc/30/62/89/815306289.db2.gz SXKHJCQPKVMVMM-ZSOGYDGISA-N 2 1 263.360 2.326 20 0 CEADMP COC(=O)C1(C)CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001168755405 809656865 /nfs/dbraw/zinc/65/68/65/809656865.db2.gz RFGLJWZKFSONOD-HPUBIQBYSA-N 2 1 296.455 2.430 20 0 CEADMP CSc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000703537903 809660422 /nfs/dbraw/zinc/66/04/22/809660422.db2.gz DDEXAEUUKJNFTR-DZGCQCFKSA-N 2 1 262.422 2.450 20 0 CEADMP CSc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000703537903 809660426 /nfs/dbraw/zinc/66/04/26/809660426.db2.gz DDEXAEUUKJNFTR-DZGCQCFKSA-N 2 1 262.422 2.450 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC000703548627 809660911 /nfs/dbraw/zinc/66/09/11/809660911.db2.gz RJSMJRVHUVDOFJ-SWLSCSKDSA-N 2 1 280.799 2.260 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCOc1ccc(Cl)cc1)C2 ZINC000703548627 809660918 /nfs/dbraw/zinc/66/09/18/809660918.db2.gz RJSMJRVHUVDOFJ-SWLSCSKDSA-N 2 1 280.799 2.260 20 0 CEADMP CCOC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118238 815307372 /nfs/dbraw/zinc/30/73/72/815307372.db2.gz PRBXSEMAJJHHAJ-ZSOGYDGISA-N 2 1 282.428 2.181 20 0 CEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC001117953697 809663800 /nfs/dbraw/zinc/66/38/00/809663800.db2.gz MFEKGHYRMOUOFI-ZDUSSCGKSA-N 2 1 270.380 2.231 20 0 CEADMP C[C@@H]1CC[C@@H](CO)C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172120791 815310685 /nfs/dbraw/zinc/31/06/85/815310685.db2.gz MYZGTIGWKLJQNG-SUJAAXHWSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[C@@H](CO)C[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120791 815310691 /nfs/dbraw/zinc/31/06/91/815310691.db2.gz MYZGTIGWKLJQNG-SUJAAXHWSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[C@@H](CO)C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120791 815310698 /nfs/dbraw/zinc/31/06/98/815310698.db2.gz MYZGTIGWKLJQNG-SUJAAXHWSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120791 815310704 /nfs/dbraw/zinc/31/07/04/815310704.db2.gz MYZGTIGWKLJQNG-SUJAAXHWSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[C@@H](CO)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120791 815310709 /nfs/dbraw/zinc/31/07/09/815310709.db2.gz MYZGTIGWKLJQNG-SUJAAXHWSA-N 2 1 266.429 2.095 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]C(C)C)C1 ZINC001035022483 809734995 /nfs/dbraw/zinc/73/49/95/809734995.db2.gz FOTWIOCOOQNHCN-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@](O)(CF)CC1)C2 ZINC001172121675 815312313 /nfs/dbraw/zinc/31/23/13/815312313.db2.gz SHUKEOLKKUYZPD-JJXSEGSLSA-N 2 1 284.419 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@](O)(CF)CC1)C2 ZINC001172121675 815312318 /nfs/dbraw/zinc/31/23/18/815312318.db2.gz SHUKEOLKKUYZPD-JJXSEGSLSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@](O)(CF)CC1)C2 ZINC001172121675 815312322 /nfs/dbraw/zinc/31/23/22/815312322.db2.gz SHUKEOLKKUYZPD-JJXSEGSLSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@](O)(CF)CC1)C2 ZINC001172121675 815312325 /nfs/dbraw/zinc/31/23/25/815312325.db2.gz SHUKEOLKKUYZPD-JJXSEGSLSA-N 2 1 284.419 2.188 20 0 CEADMP c1c(C[N@@H+]2CCOCC23CCC3)sc2c1C[NH2+]CC2 ZINC000707458610 809904210 /nfs/dbraw/zinc/90/42/10/809904210.db2.gz YENNHJKGMIXDTJ-UHFFFAOYSA-N 2 1 278.421 2.149 20 0 CEADMP c1c(C[N@H+]2CCOCC23CCC3)sc2c1C[NH2+]CC2 ZINC000707458610 809904215 /nfs/dbraw/zinc/90/42/15/809904215.db2.gz YENNHJKGMIXDTJ-UHFFFAOYSA-N 2 1 278.421 2.149 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000708368642 809927020 /nfs/dbraw/zinc/92/70/20/809927020.db2.gz RNRAZIZLUZWASG-WOPDTQHZSA-N 2 1 294.361 2.261 20 0 CEADMP CC(C)(C)[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000708915330 809939130 /nfs/dbraw/zinc/93/91/30/809939130.db2.gz XLFJCDXJXWRCFB-DKUMPPAJSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C[C@@H]1C[NH3+] ZINC000709704045 809954253 /nfs/dbraw/zinc/95/42/53/809954253.db2.gz XACAAOAPZRHVNY-RDBSUJKOSA-N 2 1 268.445 2.497 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)CC[NH2+]C1 ZINC000709557025 809964749 /nfs/dbraw/zinc/96/47/49/809964749.db2.gz OYOSWACXIILSMN-GHMZBOCLSA-N 2 1 250.308 2.260 20 0 CEADMP Cc1ccc([C@H](O)C[NH+]2CCC(C)([NH+](C)C)CC2)cc1 ZINC000709828415 809971990 /nfs/dbraw/zinc/97/19/90/809971990.db2.gz MVSQVDHEBISBMW-MRXNPFEDSA-N 2 1 276.424 2.445 20 0 CEADMP C[C@@H](C(=O)N1CCCCCC1)[N@@H+](C)CCCCCC[NH3+] ZINC000710694742 809990634 /nfs/dbraw/zinc/99/06/34/809990634.db2.gz PUHXKGXCYNDGIK-HNNXBMFYSA-N 2 1 283.460 2.228 20 0 CEADMP COC1(OC)CC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000710963111 810008207 /nfs/dbraw/zinc/00/82/07/810008207.db2.gz CJWMVCNLPWBKFM-MRXNPFEDSA-N 2 1 292.423 2.250 20 0 CEADMP COC1(OC)CC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000710963111 810008211 /nfs/dbraw/zinc/00/82/11/810008211.db2.gz CJWMVCNLPWBKFM-MRXNPFEDSA-N 2 1 292.423 2.250 20 0 CEADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC2CCC3(CC3)CC2)CCO1 ZINC000923298514 810084724 /nfs/dbraw/zinc/08/47/24/810084724.db2.gz UYTBAQVDASAJKR-TZMCWYRMSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)CCO1 ZINC000923298514 810084726 /nfs/dbraw/zinc/08/47/26/810084726.db2.gz UYTBAQVDASAJKR-TZMCWYRMSA-N 2 1 252.402 2.005 20 0 CEADMP CCc1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)o1 ZINC000923383589 810090026 /nfs/dbraw/zinc/09/00/26/810090026.db2.gz UITYJJJLLXCIAO-WOPDTQHZSA-N 2 1 251.374 2.042 20 0 CEADMP CCc1ncc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)o1 ZINC000923383589 810090029 /nfs/dbraw/zinc/09/00/29/810090029.db2.gz UITYJJJLLXCIAO-WOPDTQHZSA-N 2 1 251.374 2.042 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000711849997 810100243 /nfs/dbraw/zinc/10/02/43/810100243.db2.gz YYHFVEBZQQVONM-VNQPRFMTSA-N 2 1 266.429 2.123 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503616 810105673 /nfs/dbraw/zinc/10/56/73/810105673.db2.gz JPRWUFNYVRZFNT-HZPDHXFCSA-N 2 1 297.487 2.044 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172245725 815356529 /nfs/dbraw/zinc/35/65/29/815356529.db2.gz ODADJFFJTLPTET-GOOCMWNKSA-N 2 1 252.402 2.136 20 0 CEADMP COCCC[NH+]1CCC([NH2+]C2(C3CCOCC3)CC2)CC1 ZINC001172244576 815357423 /nfs/dbraw/zinc/35/74/23/815357423.db2.gz FPRJRITUFMMRTG-UHFFFAOYSA-N 2 1 296.455 2.036 20 0 CEADMP CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001080554593 810292479 /nfs/dbraw/zinc/29/24/79/810292479.db2.gz XAJJEBMDSYRQKQ-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP COCCC[NH+]1CCC([NH+]2CCC(CCOC)CC2)CC1 ZINC001172255608 815360580 /nfs/dbraw/zinc/36/05/80/815360580.db2.gz XHSRZCSWEGTQPI-UHFFFAOYSA-N 2 1 298.471 2.236 20 0 CEADMP COCCC[NH+]1CCC([NH+]2CCC(CF)CC2)CC1 ZINC001172255050 815360632 /nfs/dbraw/zinc/36/06/32/815360632.db2.gz GVTJJRDRFHQBFY-UHFFFAOYSA-N 2 1 272.408 2.169 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001015792358 810353638 /nfs/dbraw/zinc/35/36/38/810353638.db2.gz VMGWKTZLEGMEIU-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015792358 810353644 /nfs/dbraw/zinc/35/36/44/810353644.db2.gz VMGWKTZLEGMEIU-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015792358 810353652 /nfs/dbraw/zinc/35/36/52/810353652.db2.gz VMGWKTZLEGMEIU-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC(=O)OCc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)o1 ZINC001206556729 810497432 /nfs/dbraw/zinc/49/74/32/810497432.db2.gz WELJFAQOFXAMNV-INIZCTEOSA-N 2 1 294.395 2.294 20 0 CEADMP CC(=O)OCc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)o1 ZINC001206556729 810497439 /nfs/dbraw/zinc/49/74/39/810497439.db2.gz WELJFAQOFXAMNV-INIZCTEOSA-N 2 1 294.395 2.294 20 0 CEADMP CCC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001122101774 815384949 /nfs/dbraw/zinc/38/49/49/815384949.db2.gz ZKWVOUSKOWEIMG-UHFFFAOYSA-N 2 1 295.471 2.145 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001085519269 810805519 /nfs/dbraw/zinc/80/55/19/810805519.db2.gz LNJNVVKCVCMBBK-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001085519269 810805527 /nfs/dbraw/zinc/80/55/27/810805527.db2.gz LNJNVVKCVCMBBK-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001085519269 810805534 /nfs/dbraw/zinc/80/55/34/810805534.db2.gz LNJNVVKCVCMBBK-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CN(C[C@@H]1CC[N@H+]1CCC(C)(C)C)C(=O)[C@@H]1CCC[NH+]1C ZINC001085518803 810805779 /nfs/dbraw/zinc/80/57/79/810805779.db2.gz ZMRVJVSLFDPMFW-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CN(C[C@@H]1CC[NH+]1CCC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001085518803 810805784 /nfs/dbraw/zinc/80/57/84/810805784.db2.gz ZMRVJVSLFDPMFW-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CN(C[C@@H]1CC[NH+]1CCC(C)(C)C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001085518803 810805788 /nfs/dbraw/zinc/80/57/88/810805788.db2.gz ZMRVJVSLFDPMFW-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)CC[C@H]1F ZINC001206164045 815402201 /nfs/dbraw/zinc/40/22/01/815402201.db2.gz JDZSXQUKWORTEV-HUUCEWRRSA-N 2 1 273.355 2.496 20 0 CEADMP C[NH2+]C1CC[NH+](C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000716280712 811033124 /nfs/dbraw/zinc/03/31/24/811033124.db2.gz ZYHBIAQWNLXDOV-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP COC(=O)C1(C)CCC([N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC001168791493 811235859 /nfs/dbraw/zinc/23/58/59/811235859.db2.gz XHBJVFVOLQHLEX-UHFFFAOYSA-N 2 1 296.455 2.382 20 0 CEADMP CC(C)COCC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172484494 815434439 /nfs/dbraw/zinc/43/44/39/815434439.db2.gz QOSGTVMLLGJLQA-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP Cc1cc(N(C)C)[nH+]cc1-n1cnc2ccc(C[NH3+])cc21 ZINC001168844304 811275910 /nfs/dbraw/zinc/27/59/10/811275910.db2.gz KXBDAOVEALIHJK-UHFFFAOYSA-N 2 1 281.363 2.254 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cnc3ccc(C[NH3+])cc31)C2 ZINC001169099152 811368635 /nfs/dbraw/zinc/36/86/35/811368635.db2.gz OEVNYEHDUKZMGT-WDNDVIMCSA-N 2 1 270.380 2.293 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)C2 ZINC001169100110 811371549 /nfs/dbraw/zinc/37/15/49/811371549.db2.gz GKYVLTQDKDSCBU-ZWUHOBOKSA-N 2 1 278.371 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)C2 ZINC001169100110 811371557 /nfs/dbraw/zinc/37/15/57/811371557.db2.gz GKYVLTQDKDSCBU-ZWUHOBOKSA-N 2 1 278.371 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCCC[NH+]1CCCCC1)C2 ZINC001169100102 811373560 /nfs/dbraw/zinc/37/35/60/811373560.db2.gz GDGVYXBHGBXADC-PHZGNYQRSA-N 2 1 265.445 2.077 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCc1ccncc1)C2 ZINC001169091439 811382172 /nfs/dbraw/zinc/38/21/72/811382172.db2.gz QZWDZQVQFWCLBU-PHZGNYQRSA-N 2 1 259.397 2.229 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccc3cc(C[NH3+])cnc31)C2 ZINC001169092215 811382506 /nfs/dbraw/zinc/38/25/06/811382506.db2.gz ZYVLXDCUBMDMAQ-QDMKHBRRSA-N 2 1 270.380 2.293 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCCCC[NH3+])C2 ZINC001169107604 811401651 /nfs/dbraw/zinc/40/16/51/811401651.db2.gz IFQURRBKHLSPMJ-QDMKHBRRSA-N 3 1 253.434 2.110 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCCCCC[NH3+])C2 ZINC001169107604 811401657 /nfs/dbraw/zinc/40/16/57/811401657.db2.gz IFQURRBKHLSPMJ-QDMKHBRRSA-N 2 1 253.434 2.110 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3ncccc31)C2 ZINC001169108963 811403644 /nfs/dbraw/zinc/40/36/44/811403644.db2.gz XFKGXPZHJVGSAB-JFILPPLUSA-N 2 1 257.381 2.284 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CC[NH+](CC3CCCC3)C1)C2 ZINC001169108597 811403931 /nfs/dbraw/zinc/40/39/31/811403931.db2.gz CEFALXWBBJESGW-XLAORIBOSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001169108597 811403935 /nfs/dbraw/zinc/40/39/35/811403935.db2.gz CEFALXWBBJESGW-XLAORIBOSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001169108597 811403939 /nfs/dbraw/zinc/40/39/39/811403939.db2.gz CEFALXWBBJESGW-XLAORIBOSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](C(=O)OC(C)(C)C)C1)C2 ZINC001169142753 811408224 /nfs/dbraw/zinc/40/82/24/811408224.db2.gz VHROOYTXHJMMBY-APIJFGDWSA-N 2 1 294.439 2.275 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1)C2 ZINC001169142753 811408231 /nfs/dbraw/zinc/40/82/31/811408231.db2.gz VHROOYTXHJMMBY-APIJFGDWSA-N 2 1 294.439 2.275 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1)C2 ZINC001169142753 811408236 /nfs/dbraw/zinc/40/82/36/811408236.db2.gz VHROOYTXHJMMBY-APIJFGDWSA-N 2 1 294.439 2.275 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](C(=O)OC(C)(C)C)C1)C2 ZINC001169142755 811409651 /nfs/dbraw/zinc/40/96/51/811409651.db2.gz VHROOYTXHJMMBY-BYNSBNAKSA-N 2 1 294.439 2.275 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1)C2 ZINC001169142755 811409656 /nfs/dbraw/zinc/40/96/56/811409656.db2.gz VHROOYTXHJMMBY-BYNSBNAKSA-N 2 1 294.439 2.275 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1)C2 ZINC001169142755 811409661 /nfs/dbraw/zinc/40/96/61/811409661.db2.gz VHROOYTXHJMMBY-BYNSBNAKSA-N 2 1 294.439 2.275 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(N3CC(F)(F)C3)CC1)C2 ZINC001169146472 811411207 /nfs/dbraw/zinc/41/12/07/811411207.db2.gz PYCCZZQJUPARPF-QDMKHBRRSA-N 2 1 299.409 2.027 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CCOC(C)C)C[C@@H]2C1 ZINC001172460895 815446331 /nfs/dbraw/zinc/44/63/31/815446331.db2.gz QLOOXWFRIRBIGO-SOUVJXGZSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CCOC(C)C)C[C@@H]2C1 ZINC001172460895 815446335 /nfs/dbraw/zinc/44/63/35/815446335.db2.gz QLOOXWFRIRBIGO-SOUVJXGZSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CCOC(C)C)C[C@@H]2C1 ZINC001172460895 815446339 /nfs/dbraw/zinc/44/63/39/815446339.db2.gz QLOOXWFRIRBIGO-SOUVJXGZSA-N 2 1 254.418 2.074 20 0 CEADMP C[C@H]([NH3+])c1ccn(-c2ccc([C@@H]3CCCC[N@H+]3C)cn2)n1 ZINC001169231468 811445379 /nfs/dbraw/zinc/44/53/79/811445379.db2.gz KABXTEIJGJCGJW-WFASDCNBSA-N 2 1 285.395 2.444 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(C)(C)OC)CC1 ZINC001169258781 811468613 /nfs/dbraw/zinc/46/86/13/811468613.db2.gz RRIQPYGJWVIVBZ-CQSZACIVSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(C)(C)OC)CC1 ZINC001169258781 811468616 /nfs/dbraw/zinc/46/86/16/811468616.db2.gz RRIQPYGJWVIVBZ-CQSZACIVSA-N 2 1 254.418 2.360 20 0 CEADMP CCOC(=O)C[C@@H]1CC[N@@H+](C2CC[NH+](CC)CC2)C[C@H]1C ZINC001169267938 811475251 /nfs/dbraw/zinc/47/52/51/811475251.db2.gz CQIBQVASMMDIBO-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)C[C@@H]1CC[N@H+](C2CC[NH+](CC)CC2)C[C@H]1C ZINC001169267938 811475256 /nfs/dbraw/zinc/47/52/56/811475256.db2.gz CQIBQVASMMDIBO-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(O)c2F)CCC[C@H]1C[NH3+] ZINC001206012797 811571950 /nfs/dbraw/zinc/57/19/50/811571950.db2.gz NZDAWSBADDEMQU-NEPJUHHUSA-N 2 1 266.360 2.338 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ncn3ccccc23)CCC[C@@H]1C[NH3+] ZINC001206014144 811593347 /nfs/dbraw/zinc/59/33/47/811593347.db2.gz WCVAYQQLWYQWGN-ZIAGYGMSSA-N 2 1 272.396 2.141 20 0 CEADMP C[N@@H+](CCO)CCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172555753 815460705 /nfs/dbraw/zinc/46/07/05/815460705.db2.gz IXVMHMHYAMNGIZ-IAGOWNOFSA-N 2 1 276.424 2.227 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)CCC[C@@H]1C[NH3+] ZINC001206014835 811607665 /nfs/dbraw/zinc/60/76/65/811607665.db2.gz YGRXRWYVTKVTRC-TZMCWYRMSA-N 3 1 293.480 2.201 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccn3ccnc23)CCC[C@H]1C[NH3+] ZINC001206014855 811607684 /nfs/dbraw/zinc/60/76/84/811607684.db2.gz YGTGSHHQGILOKX-KGLIPLIRSA-N 2 1 272.396 2.141 20 0 CEADMP Cc1[nH+]ccn1-c1cc(NC(C)(C)CC[NH+](C)C)ncn1 ZINC001169715447 811639134 /nfs/dbraw/zinc/63/91/34/811639134.db2.gz ADNQGXSUDJSLCO-UHFFFAOYSA-N 2 1 288.399 2.113 20 0 CEADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169798918 811665027 /nfs/dbraw/zinc/66/50/27/811665027.db2.gz SSUNCDUINRJZJS-CVEARBPZSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169797851 811665569 /nfs/dbraw/zinc/66/55/69/811665569.db2.gz JTRIZTIGNUSDHT-GOEBONIOSA-N 2 1 295.471 2.145 20 0 CEADMP c1cc(NCC2CC2)nc(NCC23CC[NH+](CC2)CC3)[nH+]1 ZINC001169793648 811672982 /nfs/dbraw/zinc/67/29/82/811672982.db2.gz VUGZEKZQJJERQH-UHFFFAOYSA-N 2 1 287.411 2.196 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@]2(C)CC[NH+](C(C)C)C2)C1 ZINC001046562375 811774920 /nfs/dbraw/zinc/77/49/20/811774920.db2.gz MWWLIHUKVIJMAW-RDJZCZTQSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](C(C)C)C2)C1 ZINC001046562375 811774923 /nfs/dbraw/zinc/77/49/23/811774923.db2.gz MWWLIHUKVIJMAW-RDJZCZTQSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@]2(C)CC[N@H+](C(C)C)C2)C1 ZINC001046562375 811774928 /nfs/dbraw/zinc/77/49/28/811774928.db2.gz MWWLIHUKVIJMAW-RDJZCZTQSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3cncn32)CCC[C@H]1C[NH3+] ZINC001206026485 811808775 /nfs/dbraw/zinc/80/87/75/811808775.db2.gz SIAAFHONFDFJNE-KGLIPLIRSA-N 2 1 272.396 2.141 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cccc3c[nH+]cn32)CCC[C@H]1C[NH3+] ZINC001206026485 811808779 /nfs/dbraw/zinc/80/87/79/811808779.db2.gz SIAAFHONFDFJNE-KGLIPLIRSA-N 3 1 272.396 2.141 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c[nH+]cn32)CCC[C@H]1C[NH3+] ZINC001206026485 811808787 /nfs/dbraw/zinc/80/87/87/811808787.db2.gz SIAAFHONFDFJNE-KGLIPLIRSA-N 3 1 272.396 2.141 20 0 CEADMP CCCC[NH+]1CCC([N@@H+](C)C[C@H](O)C(C)C)CC1 ZINC001253767719 811968999 /nfs/dbraw/zinc/96/89/99/811968999.db2.gz HASGIXGMMDDMEE-HNNXBMFYSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(=O)OC)CC2)CC1 ZINC001172767642 815513405 /nfs/dbraw/zinc/51/34/05/815513405.db2.gz IYNKDTYHBNJJDC-KGLIPLIRSA-N 2 1 282.428 2.182 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172807451 815526493 /nfs/dbraw/zinc/52/64/93/815526493.db2.gz NHRLDJFFXRUOGU-CABCVRRESA-N 2 1 284.444 2.382 20 0 CEADMP COc1ccc(N[C@H]2CCC[N@@H+](C)CC2)cc1C[NH3+] ZINC001254512595 812424052 /nfs/dbraw/zinc/42/40/52/812424052.db2.gz PFILNFJRDAANFE-ZDUSSCGKSA-N 2 1 263.385 2.050 20 0 CEADMP COc1cccc(C[NH2+][C@H]2CCC[N@H+](C)CC2)c1F ZINC001254507472 812427483 /nfs/dbraw/zinc/42/74/83/812427483.db2.gz BYMMKNGTXKIWEY-ZDUSSCGKSA-N 2 1 266.360 2.408 20 0 CEADMP COc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)CC2)c1F ZINC001254507472 812427487 /nfs/dbraw/zinc/42/74/87/812427487.db2.gz BYMMKNGTXKIWEY-ZDUSSCGKSA-N 2 1 266.360 2.408 20 0 CEADMP CCC[N@@H+](C1CCN(C(C)=O)CC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254530595 812447855 /nfs/dbraw/zinc/44/78/55/812447855.db2.gz ZGZRUZSLLFTGEZ-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C1CCN(C(C)=O)CC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254530595 812447861 /nfs/dbraw/zinc/44/78/61/812447861.db2.gz ZGZRUZSLLFTGEZ-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C1CCN(C(C)=O)CC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254530595 812447867 /nfs/dbraw/zinc/44/78/67/812447867.db2.gz ZGZRUZSLLFTGEZ-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052715401 812449657 /nfs/dbraw/zinc/44/96/57/812449657.db2.gz CJFUQFWSDQKTHP-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001052715401 812449661 /nfs/dbraw/zinc/44/96/61/812449661.db2.gz CJFUQFWSDQKTHP-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001052715401 812449664 /nfs/dbraw/zinc/44/96/64/812449664.db2.gz CJFUQFWSDQKTHP-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052933744 812476125 /nfs/dbraw/zinc/47/61/25/812476125.db2.gz DYJOCCGSZFMJKT-INIZCTEOSA-N 2 1 293.455 2.019 20 0 CEADMP CCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129430924 812494744 /nfs/dbraw/zinc/49/47/44/812494744.db2.gz ZXFHMORJQHQUSI-MRXNPFEDSA-N 2 1 295.471 2.289 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001172801197 815532416 /nfs/dbraw/zinc/53/24/16/815532416.db2.gz FUDIRHUKWSRHQV-CABCVRRESA-N 2 1 294.439 2.278 20 0 CEADMP CCC[NH+](CCC)CC[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170503782 812584892 /nfs/dbraw/zinc/58/48/92/812584892.db2.gz WKARWHSQGPCJLL-KGLIPLIRSA-N 2 1 270.417 2.040 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132110206 812789217 /nfs/dbraw/zinc/78/92/17/812789217.db2.gz FJDFHEJKUNPYDA-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132110206 812789222 /nfs/dbraw/zinc/78/92/22/812789222.db2.gz FJDFHEJKUNPYDA-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132110206 812789228 /nfs/dbraw/zinc/78/92/28/812789228.db2.gz FJDFHEJKUNPYDA-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC(CC)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277387 812818623 /nfs/dbraw/zinc/81/86/23/812818623.db2.gz GLXUXEQPSWYHRH-ZBFHGGJFSA-N 2 1 297.487 2.343 20 0 CEADMP CCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277089 812819546 /nfs/dbraw/zinc/81/95/46/812819546.db2.gz ARMPTYCJOHEJCX-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCC2CC2)C1 ZINC001132411438 812845761 /nfs/dbraw/zinc/84/57/61/812845761.db2.gz ZKBUCJLOVYSZFZ-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132411438 812845765 /nfs/dbraw/zinc/84/57/65/812845765.db2.gz ZKBUCJLOVYSZFZ-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2CC2)C1 ZINC001132411438 812845773 /nfs/dbraw/zinc/84/57/73/812845773.db2.gz ZKBUCJLOVYSZFZ-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132435372 812849939 /nfs/dbraw/zinc/84/99/39/812849939.db2.gz CFVPGHWHMFFMGN-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132435372 812849940 /nfs/dbraw/zinc/84/99/40/812849940.db2.gz CFVPGHWHMFFMGN-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132435372 812849947 /nfs/dbraw/zinc/84/99/47/812849947.db2.gz CFVPGHWHMFFMGN-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC=C(C)C)C1 ZINC001132441421 812854801 /nfs/dbraw/zinc/85/48/01/812854801.db2.gz OPDLCKVKUUFQLK-HZPDHXFCSA-N 2 1 295.471 2.264 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC=C(C)C)C1 ZINC001132441421 812854809 /nfs/dbraw/zinc/85/48/09/812854809.db2.gz OPDLCKVKUUFQLK-HZPDHXFCSA-N 2 1 295.471 2.264 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132441421 812854816 /nfs/dbraw/zinc/85/48/16/812854816.db2.gz OPDLCKVKUUFQLK-HZPDHXFCSA-N 2 1 295.471 2.264 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132518899 812871204 /nfs/dbraw/zinc/87/12/04/812871204.db2.gz PYHBMDOTXFULPD-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4ncccc34)C[C@@H]2C1 ZINC001137405717 813036130 /nfs/dbraw/zinc/03/61/30/813036130.db2.gz NARJVGXFAYWKMC-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4ncccc34)C[C@@H]2C1 ZINC001137405717 813036138 /nfs/dbraw/zinc/03/61/38/813036138.db2.gz NARJVGXFAYWKMC-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4ncccc34)C[C@@H]2C1 ZINC001137405717 813036146 /nfs/dbraw/zinc/03/61/46/813036146.db2.gz NARJVGXFAYWKMC-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP CC[C@H]1CCCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000384810067 813076708 /nfs/dbraw/zinc/07/67/08/813076708.db2.gz PVKIZHFDNMBVIT-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP CC[C@H]1CCCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000384810067 813076713 /nfs/dbraw/zinc/07/67/13/813076713.db2.gz PVKIZHFDNMBVIT-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133905809 813174445 /nfs/dbraw/zinc/17/44/45/813174445.db2.gz ILFIHOSGIKOPGL-UHFFFAOYSA-N 2 1 285.476 2.106 20 0 CEADMP C[C@@H]([NH2+]CCSC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000386588231 813182520 /nfs/dbraw/zinc/18/25/20/813182520.db2.gz QQKIJFROHQKMGW-BDAKNGLRSA-N 2 1 256.337 2.360 20 0 CEADMP C[NH2+]CCc1cn([C@H]2CC[N@@H+](C)C2)c2ccccc12 ZINC001255440202 813203821 /nfs/dbraw/zinc/20/38/21/813203821.db2.gz AAGPURJDPSDIQK-AWEZNQCLSA-N 2 1 257.381 2.280 20 0 CEADMP O[C@@H](CN1CCCC1)C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000388582289 813239722 /nfs/dbraw/zinc/23/97/22/813239722.db2.gz JSVVUUALWKUAPG-HOTGVXAUSA-N 2 1 266.429 2.098 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000388582289 813239729 /nfs/dbraw/zinc/23/97/29/813239729.db2.gz JSVVUUALWKUAPG-HOTGVXAUSA-N 2 1 266.429 2.098 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000388582289 813239735 /nfs/dbraw/zinc/23/97/35/813239735.db2.gz JSVVUUALWKUAPG-HOTGVXAUSA-N 2 1 266.429 2.098 20 0 CEADMP CC/C=C/CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135095731 813364992 /nfs/dbraw/zinc/36/49/92/813364992.db2.gz OYEQNPBBMJMURI-PIGHNIFASA-N 2 1 293.455 2.065 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135102930 813367102 /nfs/dbraw/zinc/36/71/02/813367102.db2.gz QRIGOEIBHIOVRJ-HOTGVXAUSA-N 2 1 295.471 2.145 20 0 CEADMP CN(CC[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C)C1 ZINC001255493992 813458911 /nfs/dbraw/zinc/45/89/11/813458911.db2.gz DEBUZHYEUFVAHL-KRWDZBQOSA-N 2 1 275.440 2.144 20 0 CEADMP CN(CC[NH+](C)Cc1ccccc1)[C@H]1CCC[N@H+](C)C1 ZINC001255493992 813458914 /nfs/dbraw/zinc/45/89/14/813458914.db2.gz DEBUZHYEUFVAHL-KRWDZBQOSA-N 2 1 275.440 2.144 20 0 CEADMP CN(CC[NH+](C)Cc1ccccc1)[C@H]1CCC[N@@H+](C)C1 ZINC001255493992 813458917 /nfs/dbraw/zinc/45/89/17/813458917.db2.gz DEBUZHYEUFVAHL-KRWDZBQOSA-N 2 1 275.440 2.144 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001135980986 813577956 /nfs/dbraw/zinc/57/79/56/813577956.db2.gz VSPPETBROZRRED-CABCVRRESA-N 2 1 297.487 2.391 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397428101 813618111 /nfs/dbraw/zinc/61/81/11/813618111.db2.gz XLZVDVXKXPYZMQ-UGUYLWEFSA-N 2 1 297.487 2.377 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397428101 813618117 /nfs/dbraw/zinc/61/81/17/813618117.db2.gz XLZVDVXKXPYZMQ-UGUYLWEFSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1CN[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246109729 813701765 /nfs/dbraw/zinc/70/17/65/813701765.db2.gz KRLLXWDZQPHYPS-HRCADAONSA-N 2 1 279.472 2.371 20 0 CEADMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](C)CCCC(C)C ZINC001246153480 813713582 /nfs/dbraw/zinc/71/35/82/813713582.db2.gz SGUMFHUCPLAMOH-KGLIPLIRSA-N 2 1 272.433 2.461 20 0 CEADMP COC[C@@H](C)[N@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001255561383 813741062 /nfs/dbraw/zinc/74/10/62/813741062.db2.gz BBZLUVJHDUUSGX-ZIAGYGMSSA-N 2 1 250.386 2.118 20 0 CEADMP COc1ncc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1C ZINC001137007797 813829038 /nfs/dbraw/zinc/82/90/38/813829038.db2.gz LHQWKKLFDWQPNA-INIZCTEOSA-N 2 1 299.374 2.447 20 0 CEADMP COc1ncc(CN2CC[C@H](Oc3ccncc3)C2)cc1C ZINC001137007797 813829048 /nfs/dbraw/zinc/82/90/48/813829048.db2.gz LHQWKKLFDWQPNA-INIZCTEOSA-N 2 1 299.374 2.447 20 0 CEADMP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246504375 813879240 /nfs/dbraw/zinc/87/92/40/813879240.db2.gz PURAUBXVKAMCCJ-WCVJEAGWSA-N 3 1 267.461 2.370 20 0 CEADMP C[NH2+]CC[C@@H](C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC001246519475 813887800 /nfs/dbraw/zinc/88/78/00/813887800.db2.gz ADUMYKQSDGEAHW-MRXNPFEDSA-N 2 1 275.440 2.423 20 0 CEADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(O)c3C)C[C@@H]2C1 ZINC001144120069 813961812 /nfs/dbraw/zinc/96/18/12/813961812.db2.gz BZKRZWUFPWDQKE-GASCZTMLSA-N 2 1 260.381 2.084 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(O)c3C)C[C@@H]2C1 ZINC001144120069 813961817 /nfs/dbraw/zinc/96/18/17/813961817.db2.gz BZKRZWUFPWDQKE-GASCZTMLSA-N 2 1 260.381 2.084 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(O)c3C)C[C@@H]2C1 ZINC001144120069 813961826 /nfs/dbraw/zinc/96/18/26/813961826.db2.gz BZKRZWUFPWDQKE-GASCZTMLSA-N 2 1 260.381 2.084 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(O)c3C)C[C@@H]2C1 ZINC001144120069 813961836 /nfs/dbraw/zinc/96/18/36/813961836.db2.gz BZKRZWUFPWDQKE-GASCZTMLSA-N 2 1 260.381 2.084 20 0 CEADMP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111464010 813972963 /nfs/dbraw/zinc/97/29/63/813972963.db2.gz DSNPRJMXJIIDNU-OAGGEKHMSA-N 2 1 293.455 2.014 20 0 CEADMP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111464010 813972968 /nfs/dbraw/zinc/97/29/68/813972968.db2.gz DSNPRJMXJIIDNU-OAGGEKHMSA-N 2 1 293.455 2.014 20 0 CEADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111464010 813972971 /nfs/dbraw/zinc/97/29/71/813972971.db2.gz DSNPRJMXJIIDNU-OAGGEKHMSA-N 2 1 293.455 2.014 20 0 CEADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225662 813995630 /nfs/dbraw/zinc/99/56/30/813995630.db2.gz YLDSPHANFPRRNU-LSDHHAIUSA-N 2 1 297.487 2.199 20 0 CEADMP CO[C@@H]1CCC[C@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246557940 814039388 /nfs/dbraw/zinc/03/93/88/814039388.db2.gz LVHLFKCAZASPIU-BFHYXJOUSA-N 2 1 258.381 2.097 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC001246559361 814042396 /nfs/dbraw/zinc/04/23/96/814042396.db2.gz ACIUTCYNNVUTSQ-CHWFTXMASA-N 2 1 268.298 2.207 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC001246559361 814042403 /nfs/dbraw/zinc/04/24/03/814042403.db2.gz ACIUTCYNNVUTSQ-CHWFTXMASA-N 2 1 268.298 2.207 20 0 CEADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)C[C@@H]21 ZINC001246561407 814048314 /nfs/dbraw/zinc/04/83/14/814048314.db2.gz WYGQGOUPHFDQDZ-YFKTTZPYSA-N 2 1 258.356 2.337 20 0 CEADMP CC(C)=CCC[C@H](C)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246565811 814058263 /nfs/dbraw/zinc/05/82/63/814058263.db2.gz ZQEHKZMPTCKJQZ-LSDHHAIUSA-N 2 1 254.418 2.297 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001255966085 814064170 /nfs/dbraw/zinc/06/41/70/814064170.db2.gz JQDQCFXAZXDNGA-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001255966085 814064176 /nfs/dbraw/zinc/06/41/76/814064176.db2.gz JQDQCFXAZXDNGA-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP CCCCOC(=O)CC[C@@H](C)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246574452 814109243 /nfs/dbraw/zinc/10/92/43/814109243.db2.gz VDRFWAOFSQNJJL-UONOGXRCSA-N 2 1 270.417 2.040 20 0 CEADMP CCCCOC(=O)CC[C@@H](C)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246574452 814109254 /nfs/dbraw/zinc/10/92/54/814109254.db2.gz VDRFWAOFSQNJJL-UONOGXRCSA-N 2 1 270.417 2.040 20 0 CEADMP CCCCOC(=O)CC[C@H](C)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246574446 814109871 /nfs/dbraw/zinc/10/98/71/814109871.db2.gz VDRFWAOFSQNJJL-KBPBESRZSA-N 2 1 270.417 2.040 20 0 CEADMP CCCCOC(=O)CC[C@H](C)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246574446 814109877 /nfs/dbraw/zinc/10/98/77/814109877.db2.gz VDRFWAOFSQNJJL-KBPBESRZSA-N 2 1 270.417 2.040 20 0 CEADMP C[C@@H]1C[NH2+]CC[N@@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001246575233 814116405 /nfs/dbraw/zinc/11/64/05/814116405.db2.gz WFMKRESZXHQUFU-TZMCWYRMSA-N 2 1 262.372 2.224 20 0 CEADMP C[C@@H]1C[NH2+]CC[N@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001246575233 814116412 /nfs/dbraw/zinc/11/64/12/814116412.db2.gz WFMKRESZXHQUFU-TZMCWYRMSA-N 2 1 262.372 2.224 20 0 CEADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246580147 814150724 /nfs/dbraw/zinc/15/07/24/814150724.db2.gz VZABQMFDLKLFIG-PMPSAXMXSA-N 3 1 267.461 2.214 20 0 CEADMP [NH3+]C[C@@H]1CCCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246583820 814166830 /nfs/dbraw/zinc/16/68/30/814166830.db2.gz SDHOHCQPZUUCSQ-GTPINHCMSA-N 3 1 279.472 2.360 20 0 CEADMP CCCCC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001100676024 814170396 /nfs/dbraw/zinc/17/03/96/814170396.db2.gz HJNRNTQUELVMSW-QQFBHYJXSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001091198746 814178004 /nfs/dbraw/zinc/17/80/04/814178004.db2.gz RKPZRTXXITZWNY-HWOWSKLDSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246589404 814179158 /nfs/dbraw/zinc/17/91/58/814179158.db2.gz DGWQTOZHBAPGJN-TUVASFSCSA-N 3 1 267.461 2.212 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246589404 814179162 /nfs/dbraw/zinc/17/91/62/814179162.db2.gz DGWQTOZHBAPGJN-TUVASFSCSA-N 3 1 267.461 2.212 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CCCC(C)C)C1 ZINC001100901927 814202570 /nfs/dbraw/zinc/20/25/70/814202570.db2.gz VTSPEYZTAHVGCK-UHFFFAOYSA-N 2 1 297.487 2.249 20 0 CEADMP CCCCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101037462 814216123 /nfs/dbraw/zinc/21/61/23/814216123.db2.gz OBDADWNJXSJYBA-UHFFFAOYSA-N 2 1 283.460 2.001 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(N)c2)CC1 ZINC000042614174 814244116 /nfs/dbraw/zinc/24/41/16/814244116.db2.gz ZQGODKZCMIOLKG-UHFFFAOYSA-N 2 1 277.412 2.194 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(N)c2)CC1 ZINC000042614174 814244125 /nfs/dbraw/zinc/24/41/25/814244125.db2.gz ZQGODKZCMIOLKG-UHFFFAOYSA-N 2 1 277.412 2.194 20 0 CEADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001146590820 814299166 /nfs/dbraw/zinc/29/91/66/814299166.db2.gz BMJQIFJNNYSRLE-GJZGRUSLSA-N 2 1 297.487 2.390 20 0 CEADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102382111 814385624 /nfs/dbraw/zinc/38/56/24/814385624.db2.gz QKDGTLGZVZUCKH-OAGGEKHMSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@H]1C[C@@H]([NH+]2CCC3(CCOC3(C)C)CC2)CC[NH2+]1 ZINC001246945727 814461724 /nfs/dbraw/zinc/46/17/24/814461724.db2.gz LTZYXVHMIVHYCZ-KBPBESRZSA-N 2 1 266.429 2.408 20 0 CEADMP CCCCCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161053422 814489790 /nfs/dbraw/zinc/48/97/90/814489790.db2.gz SZSIWACKNHWQRB-HNNXBMFYSA-N 2 1 283.460 2.147 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103439550 814502289 /nfs/dbraw/zinc/50/22/89/814502289.db2.gz IITVCYYWPLRJHI-HUUCEWRRSA-N 2 1 297.487 2.058 20 0 CEADMP CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001103439550 814502293 /nfs/dbraw/zinc/50/22/93/814502293.db2.gz IITVCYYWPLRJHI-HUUCEWRRSA-N 2 1 297.487 2.058 20 0 CEADMP CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001103439550 814502295 /nfs/dbraw/zinc/50/22/95/814502295.db2.gz IITVCYYWPLRJHI-HUUCEWRRSA-N 2 1 297.487 2.058 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](CC)c1ccccc1 ZINC001148654819 814595337 /nfs/dbraw/zinc/59/53/37/814595337.db2.gz BJGXDRBFBYIRLJ-INIZCTEOSA-N 2 1 291.439 2.185 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000693563578 814623084 /nfs/dbraw/zinc/62/30/84/814623084.db2.gz UOILNGWPABQONS-INDMIFKZSA-N 3 1 299.462 2.178 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000693563578 814623089 /nfs/dbraw/zinc/62/30/89/814623089.db2.gz UOILNGWPABQONS-INDMIFKZSA-N 3 1 299.462 2.178 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000693563578 814623094 /nfs/dbraw/zinc/62/30/94/814623094.db2.gz UOILNGWPABQONS-INDMIFKZSA-N 3 1 299.462 2.178 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC000693563578 814623097 /nfs/dbraw/zinc/62/30/97/814623097.db2.gz UOILNGWPABQONS-INDMIFKZSA-N 2 1 299.462 2.178 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC000693563578 814623105 /nfs/dbraw/zinc/62/31/05/814623105.db2.gz UOILNGWPABQONS-INDMIFKZSA-N 2 1 299.462 2.178 20 0 CEADMP CCn1cc(C[N@@H+](C)CCCCCCC[NH3+])cn1 ZINC000693758078 814628810 /nfs/dbraw/zinc/62/88/10/814628810.db2.gz BTOMLCXZZQNWJK-UHFFFAOYSA-N 2 1 252.406 2.244 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](C(=O)OC)C2)CC1 ZINC001173109651 815582427 /nfs/dbraw/zinc/58/24/27/815582427.db2.gz IWTSFOPRBYKSPK-WLYUNCDWSA-N 2 1 282.428 2.134 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@H](O)C2)CC1 ZINC001173110458 815582919 /nfs/dbraw/zinc/58/29/19/815582919.db2.gz SOQAVAVSEFVEOY-GPANFISMSA-N 2 1 268.445 2.486 20 0 CEADMP CC[NH+](CC)C1CCC(N2CC(C)([NH+](C)C)C2)CC1 ZINC001173114523 815583978 /nfs/dbraw/zinc/58/39/78/815583978.db2.gz NNYBHJAKDQGXFF-UHFFFAOYSA-N 2 1 267.461 2.275 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CCC(C)(C)CO1 ZINC000713595473 814865923 /nfs/dbraw/zinc/86/59/23/814865923.db2.gz GHNVVUWJKQMAHK-MJBXVCDLSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1CCC(C)(C)CO1 ZINC000713595473 814865928 /nfs/dbraw/zinc/86/59/28/814865928.db2.gz GHNVVUWJKQMAHK-MJBXVCDLSA-N 2 1 254.418 2.393 20 0 CEADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)O1 ZINC000714378398 814889463 /nfs/dbraw/zinc/88/94/63/814889463.db2.gz AWKNFDRWOXAOCO-DZGCQCFKSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1cccc(-c2noc([C@@H]([NH3+])CCCC[NH3+])n2)c1F ZINC001247693559 814902711 /nfs/dbraw/zinc/90/27/11/814902711.db2.gz PNDIBCGVXGHQIA-NSHDSACASA-N 2 1 278.331 2.313 20 0 CEADMP CC[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C1 ZINC001173280443 815668345 /nfs/dbraw/zinc/66/83/45/815668345.db2.gz PAKYJUNQJVHZOX-WCXIOVBPSA-N 2 1 279.472 2.275 20 0 CEADMP CC[N@H+]1CC[C@@H](n2c3cc(Cl)ccc3nc2C[NH3+])C1 ZINC001173350086 815685305 /nfs/dbraw/zinc/68/53/05/815685305.db2.gz NRAZPXNNVMNLSF-LLVKDONJSA-N 2 1 278.787 2.415 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CCC([NH3+])(c3ccc(F)cc3)CC2)C1 ZINC001173355061 815696217 /nfs/dbraw/zinc/69/62/17/815696217.db2.gz WOUXQBOTVVLNPN-MRXNPFEDSA-N 2 1 291.414 2.170 20 0 CEADMP CC[N@@H+]1CC[C@@H](N2CC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001173365288 815702883 /nfs/dbraw/zinc/70/28/83/815702883.db2.gz FDQRWTVREJQYJW-GOSISDBHSA-N 2 1 287.451 2.207 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001173365288 815702888 /nfs/dbraw/zinc/70/28/88/815702888.db2.gz FDQRWTVREJQYJW-GOSISDBHSA-N 2 1 287.451 2.207 20 0 CEADMP CC[N@H+]1CC[C@@H](n2cncc2C[NH2+]Cc2ccccc2)C1 ZINC001173369196 815707232 /nfs/dbraw/zinc/70/72/32/815707232.db2.gz UJXUYUBVAQBUOG-MRXNPFEDSA-N 2 1 284.407 2.440 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2c(Cl)[nH]c3cnccc32)CC[C@@H]1F ZINC001206199712 815713037 /nfs/dbraw/zinc/71/30/37/815713037.db2.gz PFCPHLQCCRMQNP-RYUDHWBXSA-N 2 1 296.777 2.478 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2c(Cl)[nH]c3cnccc32)CC[C@@H]1F ZINC001206199712 815713039 /nfs/dbraw/zinc/71/30/39/815713039.db2.gz PFCPHLQCCRMQNP-RYUDHWBXSA-N 2 1 296.777 2.478 20 0 CEADMP CCOc1cc(OC)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206209034 815790461 /nfs/dbraw/zinc/79/04/61/815790461.db2.gz AFJPQPYAIQLJQQ-HUUCEWRRSA-N 2 1 296.386 2.355 20 0 CEADMP CCOc1cc(OC)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206209034 815790464 /nfs/dbraw/zinc/79/04/64/815790464.db2.gz AFJPQPYAIQLJQQ-HUUCEWRRSA-N 2 1 296.386 2.355 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCOCC2)cc1 ZINC001138543767 815823305 /nfs/dbraw/zinc/82/33/05/815823305.db2.gz UIFKYPJNPZCBIZ-UHFFFAOYSA-N 2 1 271.364 2.403 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCOCC2)cc1 ZINC001138543767 815823312 /nfs/dbraw/zinc/82/33/12/815823312.db2.gz UIFKYPJNPZCBIZ-UHFFFAOYSA-N 2 1 271.364 2.403 20 0 CEADMP CCC1(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)COC1 ZINC001202936084 816026416 /nfs/dbraw/zinc/02/64/16/816026416.db2.gz IHKQFISWYSGZTE-UHFFFAOYSA-N 2 1 289.423 2.355 20 0 CEADMP CCC1(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)COC1 ZINC001202957698 816076100 /nfs/dbraw/zinc/07/61/00/816076100.db2.gz GZIGAWDHHJPOFP-UHFFFAOYSA-N 2 1 268.445 2.465 20 0 CEADMP CC1(C)C[N@@H+](C[C@H](N)Cc2ccccc2)[C@@](C)(CO)C1 ZINC001206744597 816301332 /nfs/dbraw/zinc/30/13/32/816301332.db2.gz KFUWPPNNFRACEU-NVXWUHKLSA-N 2 1 276.424 2.039 20 0 CEADMP CC1(C)CN(C[C@H]([NH3+])Cc2ccccc2)[C@@](C)(CO)C1 ZINC001206744597 816301339 /nfs/dbraw/zinc/30/13/39/816301339.db2.gz KFUWPPNNFRACEU-NVXWUHKLSA-N 2 1 276.424 2.039 20 0 CEADMP CC1(C)C[N@H+](C[C@H]([NH3+])Cc2ccccc2)[C@@](C)(CO)C1 ZINC001206744597 816301345 /nfs/dbraw/zinc/30/13/45/816301345.db2.gz KFUWPPNNFRACEU-NVXWUHKLSA-N 2 1 276.424 2.039 20 0 CEADMP CC1(C)C[N@@H+](C[C@H]([NH3+])Cc2ccccc2)[C@@](C)(CO)C1 ZINC001206744597 816301350 /nfs/dbraw/zinc/30/13/50/816301350.db2.gz KFUWPPNNFRACEU-NVXWUHKLSA-N 2 1 276.424 2.039 20 0 CEADMP CCN(CC[NH+]1CCCC1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140807267 816370254 /nfs/dbraw/zinc/37/02/54/816370254.db2.gz SSNLMODOFQUGBV-UHFFFAOYSA-N 2 1 272.396 2.481 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140967755 816425409 /nfs/dbraw/zinc/42/54/09/816425409.db2.gz BLBOHKSOJHYMMN-UHFFFAOYSA-N 2 1 261.413 2.279 20 0 CEADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176564020 816442914 /nfs/dbraw/zinc/44/29/14/816442914.db2.gz JWBHEKWIRIDKNQ-HUUCEWRRSA-N 2 1 283.460 2.003 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001176972278 816502541 /nfs/dbraw/zinc/50/25/41/816502541.db2.gz UISQOWCPHWZFLS-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001176975166 816503193 /nfs/dbraw/zinc/50/31/93/816503193.db2.gz LEGRTYLITQNUBP-OAHLLOKOSA-N 2 1 291.439 2.184 20 0 CEADMP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(N(C)C)c3)C[C@@H]2C1 ZINC001141270031 816516522 /nfs/dbraw/zinc/51/65/22/816516522.db2.gz DJIUUOQVRWZFCY-HOTGVXAUSA-N 2 1 273.424 2.136 20 0 CEADMP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC001177225851 816534091 /nfs/dbraw/zinc/53/40/91/816534091.db2.gz LUBDGXBGPIVJQO-IIAWOOMASA-N 2 1 266.429 2.266 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3nonc3c2)CC1 ZINC001206304796 816568844 /nfs/dbraw/zinc/56/88/44/816568844.db2.gz PSTLDMCCBSZZPZ-HNNXBMFYSA-N 2 1 274.368 2.174 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccnc(F)c2)CC1 ZINC001206311744 816651685 /nfs/dbraw/zinc/65/16/85/816651685.db2.gz UDVLSMZRGBFEDT-AWEZNQCLSA-N 2 1 251.349 2.172 20 0 CEADMP C[NH+]1CCC2(C[NH+](Cc3cccc4nc[nH]c43)C2)CC1 ZINC001142692923 816711973 /nfs/dbraw/zinc/71/19/73/816711973.db2.gz QRZXOOZDOXPLKK-UHFFFAOYSA-N 2 1 270.380 2.091 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)c(N)n1 ZINC001143207391 816810628 /nfs/dbraw/zinc/81/06/28/816810628.db2.gz WEAYUMDUQCLLKH-OAHLLOKOSA-N 2 1 298.390 2.329 20 0 CEADMP Cc1ccc(CN2CC[C@@H](Oc3ccncc3C)C2)c(N)n1 ZINC001143207391 816810635 /nfs/dbraw/zinc/81/06/35/816810635.db2.gz WEAYUMDUQCLLKH-OAHLLOKOSA-N 2 1 298.390 2.329 20 0 CEADMP C[NH+](C)CCC[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449062737 282085615 /nfs/dbraw/zinc/08/56/15/282085615.db2.gz KGFBGOIOZLZDRW-UHFFFAOYSA-N 2 1 278.396 2.279 20 0 CEADMP CSC1(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000336345234 365559744 /nfs/dbraw/zinc/55/97/44/365559744.db2.gz DUIFWHYHFIBYCH-ZDUSSCGKSA-N 2 1 254.443 2.300 20 0 CEADMP CSC1(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000336345234 365559750 /nfs/dbraw/zinc/55/97/50/365559750.db2.gz DUIFWHYHFIBYCH-ZDUSSCGKSA-N 2 1 254.443 2.300 20 0 CEADMP CSC1(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000336345234 365559753 /nfs/dbraw/zinc/55/97/53/365559753.db2.gz DUIFWHYHFIBYCH-ZDUSSCGKSA-N 2 1 254.443 2.300 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000567624286 299068562 /nfs/dbraw/zinc/06/85/62/299068562.db2.gz LFPQAUCWOZIMHN-DOTOQJQBSA-N 2 1 294.414 2.003 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000567624286 299068565 /nfs/dbraw/zinc/06/85/65/299068565.db2.gz LFPQAUCWOZIMHN-DOTOQJQBSA-N 2 1 294.414 2.003 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000567624286 299068568 /nfs/dbraw/zinc/06/85/68/299068568.db2.gz LFPQAUCWOZIMHN-DOTOQJQBSA-N 2 1 294.414 2.003 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000567624286 299068571 /nfs/dbraw/zinc/06/85/71/299068571.db2.gz LFPQAUCWOZIMHN-DOTOQJQBSA-N 2 1 294.414 2.003 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000337500780 214124845 /nfs/dbraw/zinc/12/48/45/214124845.db2.gz LLNAJYDQIYPLRK-IYBDPMFKSA-N 2 1 274.408 2.251 20 0 CEADMP CCc1cc(OC)ccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000337500780 214124848 /nfs/dbraw/zinc/12/48/48/214124848.db2.gz LLNAJYDQIYPLRK-IYBDPMFKSA-N 2 1 274.408 2.251 20 0 CEADMP CCc1cc(OC)ccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000337500780 214124851 /nfs/dbraw/zinc/12/48/51/214124851.db2.gz LLNAJYDQIYPLRK-IYBDPMFKSA-N 2 1 274.408 2.251 20 0 CEADMP CCc1cc(OC)ccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000337500780 214124853 /nfs/dbraw/zinc/12/48/53/214124853.db2.gz LLNAJYDQIYPLRK-IYBDPMFKSA-N 2 1 274.408 2.251 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1cc(F)cc2cccnc21 ZINC000124909161 187160952 /nfs/dbraw/zinc/16/09/52/187160952.db2.gz DACOOXPKUIKYQN-UHFFFAOYSA-N 2 1 261.344 2.415 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1cc(F)cc2cccnc21 ZINC000124909161 187160953 /nfs/dbraw/zinc/16/09/53/187160953.db2.gz DACOOXPKUIKYQN-UHFFFAOYSA-N 2 1 261.344 2.415 20 0 CEADMP Cc1noc(C2CC[NH+](CCCn3cc[nH+]c3C)CC2)n1 ZINC000124982420 187164284 /nfs/dbraw/zinc/16/42/84/187164284.db2.gz JIVMCBWYSXRAEO-UHFFFAOYSA-N 2 1 289.383 2.153 20 0 CEADMP COc1c(C)cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1C ZINC000336537764 365615971 /nfs/dbraw/zinc/61/59/71/365615971.db2.gz KPXFLNLABBQCRB-DZGCQCFKSA-N 2 1 262.397 2.481 20 0 CEADMP C[C@@H](Cc1ccoc1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000449151023 282121051 /nfs/dbraw/zinc/12/10/51/282121051.db2.gz VEWJOGCYIRTYNY-HOCLYGCPSA-N 2 1 280.412 2.037 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000124457846 365653063 /nfs/dbraw/zinc/65/30/63/365653063.db2.gz WPRYCNKHVHECLD-HOTGVXAUSA-N 2 1 297.487 2.057 20 0 CEADMP CN(CC[C@@H]1CCC[N@H+]1C)CC[C@H]1CCCC[NH+]1C ZINC000125272975 365671307 /nfs/dbraw/zinc/67/13/07/365671307.db2.gz RXCARGBCMFZTHP-CVEARBPZSA-N 2 1 267.461 2.277 20 0 CEADMP CN(CC[C@@H]1CCC[NH+]1C)CC[C@H]1CCCC[N@@H+]1C ZINC000125272975 365671310 /nfs/dbraw/zinc/67/13/10/365671310.db2.gz RXCARGBCMFZTHP-CVEARBPZSA-N 2 1 267.461 2.277 20 0 CEADMP CN(CC[C@@H]1CCC[NH+]1C)CC[C@H]1CCCC[N@H+]1C ZINC000125272975 365671314 /nfs/dbraw/zinc/67/13/14/365671314.db2.gz RXCARGBCMFZTHP-CVEARBPZSA-N 2 1 267.461 2.277 20 0 CEADMP COCC1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000449174742 282131075 /nfs/dbraw/zinc/13/10/75/282131075.db2.gz QASKQWYRTABEPJ-PPWQZUPISA-N 2 1 254.418 2.264 20 0 CEADMP COCC1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000449174742 282131080 /nfs/dbraw/zinc/13/10/80/282131080.db2.gz QASKQWYRTABEPJ-PPWQZUPISA-N 2 1 254.418 2.264 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000361219126 282133463 /nfs/dbraw/zinc/13/34/63/282133463.db2.gz AJLGVBSWVWOSGD-IKGGRYGDSA-N 2 1 276.424 2.225 20 0 CEADMP CCC[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000036908343 361870311 /nfs/dbraw/zinc/87/03/11/361870311.db2.gz MLEMMVFFPMSULZ-SQWLQELKSA-N 2 1 267.461 2.179 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996540 361879318 /nfs/dbraw/zinc/87/93/18/361879318.db2.gz CREPVJBHWVZSKS-IAGOWNOFSA-N 2 1 287.407 2.361 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996540 361879323 /nfs/dbraw/zinc/87/93/23/361879323.db2.gz CREPVJBHWVZSKS-IAGOWNOFSA-N 2 1 287.407 2.361 20 0 CEADMP c1c2cccnc2oc1C[NH2+]CCC[NH+]1CCCC1 ZINC000449217925 282145592 /nfs/dbraw/zinc/14/55/92/282145592.db2.gz CVNMFAOICJDWBM-UHFFFAOYSA-N 2 1 259.353 2.403 20 0 CEADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC000037118213 361898206 /nfs/dbraw/zinc/89/82/06/361898206.db2.gz YMLPBSQKLBOANO-ZDUSSCGKSA-N 2 1 262.397 2.397 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]C1CCC(C(=O)OCC)CC1 ZINC000414809350 282953782 /nfs/dbraw/zinc/95/37/82/282953782.db2.gz GJODIJCPFIDXCN-JXQTWKCFSA-N 2 1 270.417 2.215 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCOC3(CCC3)C2)CCCO1 ZINC000449283797 282171000 /nfs/dbraw/zinc/17/10/00/282171000.db2.gz MPPAJWAXBNYCOM-HZPDHXFCSA-N 2 1 296.455 2.179 20 0 CEADMP CC(=O)N1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000621756233 349693207 /nfs/dbraw/zinc/69/32/07/349693207.db2.gz IUVOPNNMXMGRBT-KRWDZBQOSA-N 2 1 299.418 2.336 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000621784475 349701960 /nfs/dbraw/zinc/70/19/60/349701960.db2.gz PNFMFXWZJYZANB-RDJZCZTQSA-N 2 1 282.391 2.186 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000621784475 349701965 /nfs/dbraw/zinc/70/19/65/349701965.db2.gz PNFMFXWZJYZANB-RDJZCZTQSA-N 2 1 282.391 2.186 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000449339981 282192957 /nfs/dbraw/zinc/19/29/57/282192957.db2.gz ZWKTYPURLFYHME-OWCLPIDISA-N 2 1 295.471 2.131 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000125995358 539226967 /nfs/dbraw/zinc/22/69/67/539226967.db2.gz LCZQIMXWIXWENW-HOTGVXAUSA-N 3 1 281.488 2.427 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000668676529 539234469 /nfs/dbraw/zinc/23/44/69/539234469.db2.gz BWFZLRDNQGUKOJ-KBPBESRZSA-N 2 1 268.364 2.418 20 0 CEADMP Cc1ncccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334871020 282193841 /nfs/dbraw/zinc/19/38/41/282193841.db2.gz WNKDPUYZDRLDGW-GDBMZVCRSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1csc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000221985383 539223671 /nfs/dbraw/zinc/22/36/71/539223671.db2.gz XJFLRVRJRZPVNV-RYUDHWBXSA-N 2 1 253.415 2.066 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1cccc3c1CCC3)C2 ZINC000622004169 349764547 /nfs/dbraw/zinc/76/45/47/349764547.db2.gz LNOBNVNLKUSGHO-RDJZCZTQSA-N 2 1 256.393 2.489 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1cccc3c1CCC3)C2 ZINC000622004169 349764550 /nfs/dbraw/zinc/76/45/50/349764550.db2.gz LNOBNVNLKUSGHO-RDJZCZTQSA-N 2 1 256.393 2.489 20 0 CEADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1C[C@H]1C ZINC000414109137 529597541 /nfs/dbraw/zinc/59/75/41/529597541.db2.gz GWDXNVITPCOMLW-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP CO[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC[C@H]1C ZINC000300007867 539268250 /nfs/dbraw/zinc/26/82/50/539268250.db2.gz MZVTVSJMXAVRAU-CXAGYDPISA-N 2 1 274.408 2.189 20 0 CEADMP C([NH2+][C@H]1CO[C@H](C2CC2)C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668817814 539277670 /nfs/dbraw/zinc/27/76/70/539277670.db2.gz AFGJVPKMVYGZDY-OIISXLGYSA-N 2 1 278.440 2.266 20 0 CEADMP Cc1cc(N2CCC([NH2+]Cc3ccn(C)c3)CC2)nc(C)[nH+]1 ZINC000126386620 365708280 /nfs/dbraw/zinc/70/82/80/365708280.db2.gz ZUMGMAVQXGTDNH-UHFFFAOYSA-N 2 1 299.422 2.191 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CC2=CCCOC2)C1 ZINC000126515048 365713265 /nfs/dbraw/zinc/71/32/65/365713265.db2.gz PZWJCDHZRXOCAT-HNNXBMFYSA-N 2 1 266.429 2.435 20 0 CEADMP CC[N@H+](CCCCn1cc[nH+]c1C)C[C@H]1CCOC1 ZINC000678073162 539291174 /nfs/dbraw/zinc/29/11/74/539291174.db2.gz NKFOHIVTRASQKQ-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C[C@H]1CCOC1 ZINC000678073162 539291176 /nfs/dbraw/zinc/29/11/76/539291176.db2.gz NKFOHIVTRASQKQ-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000622136545 349800916 /nfs/dbraw/zinc/80/09/16/349800916.db2.gz IGXQBHQHFHDCTM-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000622136545 349800920 /nfs/dbraw/zinc/80/09/20/349800920.db2.gz IGXQBHQHFHDCTM-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000622136545 349800923 /nfs/dbraw/zinc/80/09/23/349800923.db2.gz IGXQBHQHFHDCTM-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cncs2)[C@H](C)C1 ZINC000136154432 539294211 /nfs/dbraw/zinc/29/42/11/539294211.db2.gz KPUJNUMFMIIIMH-UKRRQHHQSA-N 2 1 297.468 2.370 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cncs2)[C@H](C)C1 ZINC000136154432 539294212 /nfs/dbraw/zinc/29/42/12/539294212.db2.gz KPUJNUMFMIIIMH-UKRRQHHQSA-N 2 1 297.468 2.370 20 0 CEADMP C(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)COCC1CCOCC1 ZINC000166671785 539298748 /nfs/dbraw/zinc/29/87/48/539298748.db2.gz PPCJYZOAONRHJL-DLBZAZTESA-N 2 1 296.455 2.036 20 0 CEADMP CC1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000434759518 539299210 /nfs/dbraw/zinc/29/92/10/539299210.db2.gz ONWQJZRTQYZHFR-GOSISDBHSA-N 2 1 288.435 2.403 20 0 CEADMP CC1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000434759518 539299212 /nfs/dbraw/zinc/29/92/12/539299212.db2.gz ONWQJZRTQYZHFR-GOSISDBHSA-N 2 1 288.435 2.403 20 0 CEADMP CC[N@@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C)n2)C[C@H]1C ZINC000436436511 539302206 /nfs/dbraw/zinc/30/22/06/539302206.db2.gz JTRJHBTTXGAQNK-OCCSQVGLSA-N 2 1 262.401 2.402 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C)n2)C[C@H]1C ZINC000436436511 539302207 /nfs/dbraw/zinc/30/22/07/539302207.db2.gz JTRJHBTTXGAQNK-OCCSQVGLSA-N 2 1 262.401 2.402 20 0 CEADMP CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000567831039 299095950 /nfs/dbraw/zinc/09/59/50/299095950.db2.gz IDHXJYKDHCOXFJ-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000037826050 343431420 /nfs/dbraw/zinc/43/14/20/343431420.db2.gz PJRLVXXYYCKDHV-MRXNPFEDSA-N 2 1 283.460 2.083 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCOCc3ccccc3)C[C@@H]12 ZINC000336657395 365751641 /nfs/dbraw/zinc/75/16/41/365751641.db2.gz RKFVHRFCOVCZFJ-BRWVUGGUSA-N 2 1 274.408 2.262 20 0 CEADMP CCC(CC)[C@H](CN[C@@H]1C[N@@H+](CC)C[C@@H]1C)[NH+](C)C ZINC000343275178 282276820 /nfs/dbraw/zinc/27/68/20/282276820.db2.gz SRDNWQUFBPCRCH-IMJJTQAJSA-N 2 1 269.477 2.283 20 0 CEADMP CCc1ncc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000414397276 529756667 /nfs/dbraw/zinc/75/66/67/529756667.db2.gz UDQMOJYSLNDHTK-AWEZNQCLSA-N 2 1 278.444 2.495 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000351354363 219092953 /nfs/dbraw/zinc/09/29/53/219092953.db2.gz QLDCOBAPQKEHJM-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[NH+](C)CCCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000351354363 219092954 /nfs/dbraw/zinc/09/29/54/219092954.db2.gz QLDCOBAPQKEHJM-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[NH+](C)CCCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000351354363 219092955 /nfs/dbraw/zinc/09/29/55/219092955.db2.gz QLDCOBAPQKEHJM-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP CN(CC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336720316 365784774 /nfs/dbraw/zinc/78/47/74/365784774.db2.gz SWSVZWKQMUVMKA-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP CC(C)Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000449560149 282283337 /nfs/dbraw/zinc/28/33/37/282283337.db2.gz GUEOCMBCBCIBIB-MQVJKMGUSA-N 2 1 276.428 2.254 20 0 CEADMP CC(C)Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000449560149 282283344 /nfs/dbraw/zinc/28/33/44/282283344.db2.gz GUEOCMBCBCIBIB-MQVJKMGUSA-N 2 1 276.428 2.254 20 0 CEADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCOC1 ZINC000336725150 365787417 /nfs/dbraw/zinc/78/74/17/365787417.db2.gz XXHRWKGALIXPEN-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C(C)C ZINC000342094239 534947137 /nfs/dbraw/zinc/94/71/37/534947137.db2.gz FEYRWRXOCGFLII-FXUDXRNXSA-N 2 1 295.471 2.080 20 0 CEADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351473617 219099554 /nfs/dbraw/zinc/09/95/54/219099554.db2.gz DMSGNBPXZJLZQR-UQOMUDLDSA-N 2 1 298.390 2.467 20 0 CEADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351473617 219099555 /nfs/dbraw/zinc/09/95/55/219099555.db2.gz DMSGNBPXZJLZQR-UQOMUDLDSA-N 2 1 298.390 2.467 20 0 CEADMP Cc1cncc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000228618547 539350893 /nfs/dbraw/zinc/35/08/93/539350893.db2.gz NWWLAZWELUASKA-CVEARBPZSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cncc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000228618547 539350898 /nfs/dbraw/zinc/35/08/98/539350898.db2.gz NWWLAZWELUASKA-CVEARBPZSA-N 2 1 259.397 2.354 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351500128 219108029 /nfs/dbraw/zinc/10/80/29/219108029.db2.gz WPMJBKGXWJEDAE-LEOABGAYSA-N 2 1 266.429 2.251 20 0 CEADMP Cc1cccnc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000295077498 199333546 /nfs/dbraw/zinc/33/35/46/199333546.db2.gz RREOQNVIHFLFLC-GJZGRUSLSA-N 2 1 259.397 2.149 20 0 CEADMP C[NH+](C)CC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351533426 219117150 /nfs/dbraw/zinc/11/71/50/219117150.db2.gz NLDDPIYNWUZBMS-INIZCTEOSA-N 3 1 267.461 2.134 20 0 CEADMP CN1CCCC[C@H]1CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000351533426 219117153 /nfs/dbraw/zinc/11/71/53/219117153.db2.gz NLDDPIYNWUZBMS-INIZCTEOSA-N 2 1 267.461 2.134 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCCn1cc[nH+]c1C ZINC000273187078 192068783 /nfs/dbraw/zinc/06/87/83/192068783.db2.gz IDLNNGYGBSTJJC-ZDUSSCGKSA-N 2 1 294.443 2.255 20 0 CEADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)OC(C)(C)C)C1 ZINC000081632078 344060492 /nfs/dbraw/zinc/06/04/92/344060492.db2.gz XTPCMQKYWYCSBM-HNNXBMFYSA-N 2 1 296.455 2.382 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)OC(C)(C)C)C1 ZINC000081632078 344060496 /nfs/dbraw/zinc/06/04/96/344060496.db2.gz XTPCMQKYWYCSBM-HNNXBMFYSA-N 2 1 296.455 2.382 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)OC(C)(C)C)C1 ZINC000081632078 344060499 /nfs/dbraw/zinc/06/04/99/344060499.db2.gz XTPCMQKYWYCSBM-HNNXBMFYSA-N 2 1 296.455 2.382 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)OC(C)(C)C)C1 ZINC000081632078 344060501 /nfs/dbraw/zinc/06/05/01/344060501.db2.gz XTPCMQKYWYCSBM-HNNXBMFYSA-N 2 1 296.455 2.382 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000081635489 344060804 /nfs/dbraw/zinc/06/08/04/344060804.db2.gz LUYDFFLFGMGNPL-QGZVFWFLSA-N 2 1 279.472 2.136 20 0 CEADMP C[C@H](CNc1nc(N(C)C)cc[nH+]1)C[NH+]1CCCCC1 ZINC000091454636 344163876 /nfs/dbraw/zinc/16/38/76/344163876.db2.gz OXEFLKFWKPWSCC-CYBMUJFWSA-N 2 1 277.416 2.077 20 0 CEADMP C[NH+](C)[C@H](CNc1cc(NCC2CC2)[nH+]cn1)C1CC1 ZINC000091481604 344164846 /nfs/dbraw/zinc/16/48/46/344164846.db2.gz YUGALNKXOZEUIK-CYBMUJFWSA-N 2 1 275.400 2.051 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000127222433 187290003 /nfs/dbraw/zinc/29/00/03/187290003.db2.gz DUAIKYFTWYWFQJ-UHFFFAOYSA-N 2 1 254.349 2.136 20 0 CEADMP FC(F)(F)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107576312 344260996 /nfs/dbraw/zinc/26/09/96/344260996.db2.gz ACGKOYBVRVXQOU-VXGBXAGGSA-N 2 1 270.298 2.357 20 0 CEADMP COc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000112119908 344272390 /nfs/dbraw/zinc/27/23/90/344272390.db2.gz QBAVUGTZLOBCJR-UHFFFAOYSA-N 2 1 283.375 2.412 20 0 CEADMP Cn1cc(CCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000157217997 344445831 /nfs/dbraw/zinc/44/58/31/344445831.db2.gz UFHBAEVIAMFWTJ-QGZVFWFLSA-N 2 1 290.455 2.303 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246989223 344618990 /nfs/dbraw/zinc/61/89/90/344618990.db2.gz JIBBSXGQCCMXEM-QCODTGAPSA-N 2 1 267.461 2.178 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246989223 344618993 /nfs/dbraw/zinc/61/89/93/344618993.db2.gz JIBBSXGQCCMXEM-QCODTGAPSA-N 3 1 267.461 2.178 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246989223 344618996 /nfs/dbraw/zinc/61/89/96/344618996.db2.gz JIBBSXGQCCMXEM-QCODTGAPSA-N 3 1 267.461 2.178 20 0 CEADMP CCc1noc(C)c1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000333852751 539401735 /nfs/dbraw/zinc/40/17/35/539401735.db2.gz QIEHUZGSRLFTRB-QMTHXVAHSA-N 2 1 251.374 2.023 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000250486123 344633240 /nfs/dbraw/zinc/63/32/40/344633240.db2.gz DWIIZLJNNTUSOH-CABCVRRESA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000319964231 344751184 /nfs/dbraw/zinc/75/11/84/344751184.db2.gz HQWOTRXEKLZWOE-RDBSUJKOSA-N 2 1 282.428 2.181 20 0 CEADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000341999454 344771584 /nfs/dbraw/zinc/77/15/84/344771584.db2.gz JLZNKNBRBOJQLZ-RBZJEDDUSA-N 2 1 268.445 2.366 20 0 CEADMP CN(C)c1cc[nH+]cc1CNCC[N@@H+]1CCCC1(C)C ZINC000449782274 282365674 /nfs/dbraw/zinc/36/56/74/282365674.db2.gz KOJXEIKITYUYCI-UHFFFAOYSA-N 2 1 276.428 2.112 20 0 CEADMP CN(C)c1cc[nH+]cc1CNCC[N@H+]1CCCC1(C)C ZINC000449782274 282365675 /nfs/dbraw/zinc/36/56/75/282365675.db2.gz KOJXEIKITYUYCI-UHFFFAOYSA-N 2 1 276.428 2.112 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000401766897 344870057 /nfs/dbraw/zinc/87/00/57/344870057.db2.gz YWUNHLKXAKNIFY-ZDUSSCGKSA-N 2 1 271.364 2.119 20 0 CEADMP CC[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)CC(F)(F)F ZINC000402637142 344873237 /nfs/dbraw/zinc/87/32/37/344873237.db2.gz OGHQZBMDTVGMQS-ZYHUDNBSSA-N 2 1 282.350 2.010 20 0 CEADMP CC[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)CC(F)(F)F ZINC000402637142 344873239 /nfs/dbraw/zinc/87/32/39/344873239.db2.gz OGHQZBMDTVGMQS-ZYHUDNBSSA-N 2 1 282.350 2.010 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000584577421 344958971 /nfs/dbraw/zinc/95/89/71/344958971.db2.gz MFAUXFPWXGVMAS-HNNXBMFYSA-N 2 1 299.422 2.055 20 0 CEADMP CC[N@@H+](C)CCNCc1[nH+]c(C(C)C)n2ccccc12 ZINC000584629075 344969295 /nfs/dbraw/zinc/96/92/95/344969295.db2.gz ZQQCDUYUKMPHSS-UHFFFAOYSA-N 2 1 274.412 2.499 20 0 CEADMP COC[C@@H](C)Oc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000668156699 539428974 /nfs/dbraw/zinc/42/89/74/539428974.db2.gz YWPOXPNPSDHSMH-OAHLLOKOSA-N 2 1 294.439 2.484 20 0 CEADMP COC[C@@H](C)Oc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000668156699 539428978 /nfs/dbraw/zinc/42/89/78/539428978.db2.gz YWPOXPNPSDHSMH-OAHLLOKOSA-N 2 1 294.439 2.484 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589644790 345091840 /nfs/dbraw/zinc/09/18/40/345091840.db2.gz TXIISGQPDWEUJX-CYBMUJFWSA-N 2 1 272.396 2.384 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589644790 345091842 /nfs/dbraw/zinc/09/18/42/345091842.db2.gz TXIISGQPDWEUJX-CYBMUJFWSA-N 2 1 272.396 2.384 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](C)[NH3+])c2ccccc21 ZINC000591580655 345266872 /nfs/dbraw/zinc/26/68/72/345266872.db2.gz HTSNFOTYDYTICX-NILFDRSVSA-N 2 1 276.380 2.105 20 0 CEADMP c1cn([C@@H]2CCC[N@H+](CCc3ccncc3)C2)cn1 ZINC000591866850 345289493 /nfs/dbraw/zinc/28/94/93/345289493.db2.gz HONJGSTVUZWKJT-OAHLLOKOSA-N 2 1 256.353 2.158 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593314930 345465484 /nfs/dbraw/zinc/46/54/84/345465484.db2.gz HVGARWWJQAOQBA-OLZOCXBDSA-N 2 1 270.417 2.025 20 0 CEADMP CC(C)Cc1ncc(C[NH2+]CCc2c[nH+]cn2C)s1 ZINC000623086515 349933577 /nfs/dbraw/zinc/93/35/77/349933577.db2.gz WOHIWELXKISJML-UHFFFAOYSA-N 2 1 278.425 2.407 20 0 CEADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(C)o1 ZINC000594607552 345659788 /nfs/dbraw/zinc/65/97/88/345659788.db2.gz WYTNXRWQWYQDIX-ZDUSSCGKSA-N 2 1 294.395 2.195 20 0 CEADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(C)o1 ZINC000594607552 345659790 /nfs/dbraw/zinc/65/97/90/345659790.db2.gz WYTNXRWQWYQDIX-ZDUSSCGKSA-N 2 1 294.395 2.195 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cscc1Cl ZINC000623086376 349933847 /nfs/dbraw/zinc/93/38/47/349933847.db2.gz MXGCBIPBAAKSBH-UHFFFAOYSA-N 2 1 255.774 2.467 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000568180996 299122067 /nfs/dbraw/zinc/12/20/67/299122067.db2.gz IHMOUHMGNRVWTB-GDBMZVCRSA-N 2 1 277.412 2.244 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000568180996 299122070 /nfs/dbraw/zinc/12/20/70/299122070.db2.gz IHMOUHMGNRVWTB-GDBMZVCRSA-N 2 1 277.412 2.244 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000594870328 345692483 /nfs/dbraw/zinc/69/24/83/345692483.db2.gz XRKBZLKAWLJDMT-INIZCTEOSA-N 2 1 297.487 2.347 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000594927195 345705044 /nfs/dbraw/zinc/70/50/44/345705044.db2.gz ZDPYBIQWWAHRHR-QKPAOTATSA-N 2 1 296.455 2.286 20 0 CEADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000595004005 345724641 /nfs/dbraw/zinc/72/46/41/345724641.db2.gz MJSDXXRIPITSHY-LBPRGKRZSA-N 2 1 270.417 2.038 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CSCCF ZINC000595020724 345729159 /nfs/dbraw/zinc/72/91/59/345729159.db2.gz ZPIQSCPOAAJHGL-LLVKDONJSA-N 2 1 259.394 2.262 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)CC1 ZINC000595063344 345738068 /nfs/dbraw/zinc/73/80/68/345738068.db2.gz QLFMJBFONTTZON-SPYBWZPUSA-N 2 1 286.485 2.140 20 0 CEADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000595428755 345780480 /nfs/dbraw/zinc/78/04/80/345780480.db2.gz KCMIXMCGSCWNBZ-TUVASFSCSA-N 2 1 284.444 2.142 20 0 CEADMP CCSCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900611 345910155 /nfs/dbraw/zinc/91/01/55/345910155.db2.gz IEPAAQRHHLIEHJ-CQSZACIVSA-N 2 1 256.459 2.451 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000084182692 539500860 /nfs/dbraw/zinc/50/08/60/539500860.db2.gz SOXZZZFBCIOBQP-UHFFFAOYSA-N 2 1 283.460 2.084 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNCc2cc(C)c(C(=O)OC)o2)C1 ZINC000597048392 346120196 /nfs/dbraw/zinc/12/01/96/346120196.db2.gz DUCGOZLBBSBJKY-ZDUSSCGKSA-N 2 1 294.395 2.196 20 0 CEADMP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1C ZINC000568269229 299131657 /nfs/dbraw/zinc/13/16/57/299131657.db2.gz CPYJATVUOYEWLW-UKRRQHHQSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1C ZINC000568269229 299131662 /nfs/dbraw/zinc/13/16/62/299131662.db2.gz CPYJATVUOYEWLW-UKRRQHHQSA-N 2 1 290.455 2.471 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCO)C(C)(C)C)CC1(C)C ZINC000599044208 346451121 /nfs/dbraw/zinc/45/11/21/346451121.db2.gz LDVWJUTXQUZXEC-QWHCGFSZSA-N 2 1 256.434 2.246 20 0 CEADMP CCC[C@@H](CCO)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336790949 365812358 /nfs/dbraw/zinc/81/23/58/365812358.db2.gz MLAMYQRGEUVEIL-ZDUSSCGKSA-N 2 1 254.418 2.002 20 0 CEADMP CCc1nc(C[NH+]2CCC(C[NH2+]C)CC2)cs1 ZINC000063165835 362752962 /nfs/dbraw/zinc/75/29/62/362752962.db2.gz PPMNBLYTLJYGNE-UHFFFAOYSA-N 2 1 253.415 2.137 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000063195127 362758122 /nfs/dbraw/zinc/75/81/22/362758122.db2.gz WDASHKKTKOEZOD-ZFWWWQNUSA-N 2 1 275.396 2.217 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000063195127 362758128 /nfs/dbraw/zinc/75/81/28/362758128.db2.gz WDASHKKTKOEZOD-ZFWWWQNUSA-N 2 1 275.396 2.217 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC(=O)OC)C[C@@H]1C ZINC000599312607 346497689 /nfs/dbraw/zinc/49/76/89/346497689.db2.gz ANFADICFKSWVHE-KBPBESRZSA-N 2 1 270.417 2.134 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC(=O)OC)C[C@@H]1C ZINC000599312607 346497690 /nfs/dbraw/zinc/49/76/90/346497690.db2.gz ANFADICFKSWVHE-KBPBESRZSA-N 2 1 270.417 2.134 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC(=O)OC)C[C@@H]1C ZINC000599312607 346497692 /nfs/dbraw/zinc/49/76/92/346497692.db2.gz ANFADICFKSWVHE-KBPBESRZSA-N 2 1 270.417 2.134 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)oc1C ZINC000063200084 362760093 /nfs/dbraw/zinc/76/00/93/362760093.db2.gz RZWIQNMUCPUMHP-AWEZNQCLSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC1CCOCC1 ZINC000336798066 365823051 /nfs/dbraw/zinc/82/30/51/365823051.db2.gz CNLHIXPARHBTBH-UHFFFAOYSA-N 2 1 265.401 2.330 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC1CCOCC1 ZINC000336798066 365823054 /nfs/dbraw/zinc/82/30/54/365823054.db2.gz CNLHIXPARHBTBH-UHFFFAOYSA-N 2 1 265.401 2.330 20 0 CEADMP C([C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1)[NH+]1CCCCC1 ZINC000336799845 365828647 /nfs/dbraw/zinc/82/86/47/365828647.db2.gz KFGAACROOAJZDT-HOTGVXAUSA-N 2 1 266.429 2.221 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000600161516 346610019 /nfs/dbraw/zinc/61/00/19/346610019.db2.gz NNAIQEGLLGSEAH-OAHLLOKOSA-N 2 1 290.407 2.436 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000600161516 346610022 /nfs/dbraw/zinc/61/00/22/346610022.db2.gz NNAIQEGLLGSEAH-OAHLLOKOSA-N 2 1 290.407 2.436 20 0 CEADMP CCOCCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459442071 290149824 /nfs/dbraw/zinc/14/98/24/290149824.db2.gz CFEXWGGMBAOVJF-UHFFFAOYSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000336810561 365848283 /nfs/dbraw/zinc/84/82/83/365848283.db2.gz IKONEUMUNCJWRC-DZGCQCFKSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000336810561 365848287 /nfs/dbraw/zinc/84/82/87/365848287.db2.gz IKONEUMUNCJWRC-DZGCQCFKSA-N 2 1 265.401 2.207 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000128425214 187370689 /nfs/dbraw/zinc/37/06/89/187370689.db2.gz ZLCLTCAVOUIBEB-DZGCQCFKSA-N 2 1 283.460 2.129 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000128425214 187370691 /nfs/dbraw/zinc/37/06/91/187370691.db2.gz ZLCLTCAVOUIBEB-DZGCQCFKSA-N 2 1 283.460 2.129 20 0 CEADMP CCc1nnc([C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)o1 ZINC000601063005 346741993 /nfs/dbraw/zinc/74/19/93/346741993.db2.gz IVFHGWDZTYVJTO-GFCCVEGCSA-N 2 1 280.416 2.357 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000129479626 365862485 /nfs/dbraw/zinc/86/24/85/365862485.db2.gz BWOOAYZASLYNJY-DZGCQCFKSA-N 2 1 262.397 2.310 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[nH]1 ZINC000602686951 347146170 /nfs/dbraw/zinc/14/61/70/347146170.db2.gz GNIOODXHLYWKFD-ZDUSSCGKSA-N 2 1 293.411 2.013 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000129578043 365874394 /nfs/dbraw/zinc/87/43/94/365874394.db2.gz FXVZKHITELFQSO-INMHGKMJSA-N 2 1 273.424 2.195 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000129578043 365874402 /nfs/dbraw/zinc/87/44/02/365874402.db2.gz FXVZKHITELFQSO-INMHGKMJSA-N 2 1 273.424 2.195 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)CSC)CC1 ZINC000602952181 347255139 /nfs/dbraw/zinc/25/51/39/347255139.db2.gz XZEAUYMAIGKFHZ-AWEZNQCLSA-N 2 1 286.485 2.051 20 0 CEADMP CCC[C@@H](C(=O)N(CC)C[C@@H]1CCC[N@H+]1CC)[NH+](C)C ZINC000568344533 299138823 /nfs/dbraw/zinc/13/88/23/299138823.db2.gz UGOAMOBMHLEBOL-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c(C)s1 ZINC000603434475 347369582 /nfs/dbraw/zinc/36/95/82/347369582.db2.gz QOGDCYRJAQGEPS-RYUDHWBXSA-N 2 1 282.409 2.059 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccccc2)C[C@H]1C ZINC000336840314 365911806 /nfs/dbraw/zinc/91/18/06/365911806.db2.gz WLPUIMGKVVDIOY-BPQIPLTHSA-N 2 1 290.451 2.395 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cc2ccccc2)C[C@H]1C ZINC000336840314 365911814 /nfs/dbraw/zinc/91/18/14/365911814.db2.gz WLPUIMGKVVDIOY-BPQIPLTHSA-N 2 1 290.451 2.395 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cc2ccccc2)C[C@H]1C ZINC000336840314 365911823 /nfs/dbraw/zinc/91/18/23/365911823.db2.gz WLPUIMGKVVDIOY-BPQIPLTHSA-N 2 1 290.451 2.395 20 0 CEADMP CCOC(=O)CC[C@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000611225020 347753503 /nfs/dbraw/zinc/75/35/03/347753503.db2.gz BOXHKMLEOKQSRT-OAHLLOKOSA-N 2 1 293.411 2.247 20 0 CEADMP CCOC(=O)CC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000611225020 347753507 /nfs/dbraw/zinc/75/35/07/347753507.db2.gz BOXHKMLEOKQSRT-OAHLLOKOSA-N 2 1 293.411 2.247 20 0 CEADMP COC1CCC([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000130061002 365921160 /nfs/dbraw/zinc/92/11/60/365921160.db2.gz XBFCREPRKKZXAV-UHFFFAOYSA-N 2 1 254.418 2.408 20 0 CEADMP COC1CCC([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000130061002 365921167 /nfs/dbraw/zinc/92/11/67/365921167.db2.gz XBFCREPRKKZXAV-UHFFFAOYSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CC=C(C[NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000339339355 215105314 /nfs/dbraw/zinc/10/53/14/215105314.db2.gz GJPVTAZSOMFMMD-UHFFFAOYSA-N 2 1 266.772 2.397 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000339339355 215105316 /nfs/dbraw/zinc/10/53/16/215105316.db2.gz GJPVTAZSOMFMMD-UHFFFAOYSA-N 2 1 266.772 2.397 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCc2cnn(-c3ccccc3)c2)CC[N@H+]1C ZINC000130361805 365947834 /nfs/dbraw/zinc/94/78/34/365947834.db2.gz AQSPMYAKBKOXGF-WBVHZDCISA-N 2 1 298.434 2.487 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccncc2)CC1 ZINC000130400589 365952746 /nfs/dbraw/zinc/95/27/46/365952746.db2.gz PVKALKUWORXQRW-UHFFFAOYSA-N 2 1 270.380 2.270 20 0 CEADMP CC(C)[NH+](CCC[NH2+]C[C@](C)(O)C(F)(F)F)C(C)C ZINC000568620033 299149823 /nfs/dbraw/zinc/14/98/23/299149823.db2.gz APKADDRPDRGSQB-LBPRGKRZSA-N 2 1 284.366 2.398 20 0 CEADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[NH+](C)C ZINC000128810543 187391199 /nfs/dbraw/zinc/39/11/99/187391199.db2.gz DKIAXMJCTXYKRW-UHFFFAOYSA-N 2 1 275.396 2.091 20 0 CEADMP CC(C)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000614963149 348261117 /nfs/dbraw/zinc/26/11/17/348261117.db2.gz XBXRANHJRKGZSI-CVEARBPZSA-N 2 1 267.461 2.131 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335327733 539628061 /nfs/dbraw/zinc/62/80/61/539628061.db2.gz ALGRZRYKDQUGAU-SFHVURJKSA-N 2 1 298.434 2.191 20 0 CEADMP CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309847531 539634574 /nfs/dbraw/zinc/63/45/74/539634574.db2.gz YRWLWOFQGPWYJI-IAGOWNOFSA-N 2 1 276.424 2.259 20 0 CEADMP CC(C)[C@@]1(C)C[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507066 348717989 /nfs/dbraw/zinc/71/79/89/348717989.db2.gz GZRGWMNQUYMPOW-YQQAZPJKSA-N 2 1 297.487 2.057 20 0 CEADMP CC(C)[C@@]1(C)C[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507066 348717991 /nfs/dbraw/zinc/71/79/91/348717991.db2.gz GZRGWMNQUYMPOW-YQQAZPJKSA-N 2 1 297.487 2.057 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)NCC[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000617751765 348779633 /nfs/dbraw/zinc/77/96/33/348779633.db2.gz CJAGSQWTIJXZQF-GDBMZVCRSA-N 2 1 291.439 2.136 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623401622 350009942 /nfs/dbraw/zinc/00/99/42/350009942.db2.gz HITFNMXTCLHKOT-CABCVRRESA-N 2 1 269.477 2.425 20 0 CEADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623401622 350009945 /nfs/dbraw/zinc/00/99/45/350009945.db2.gz HITFNMXTCLHKOT-CABCVRRESA-N 2 1 269.477 2.425 20 0 CEADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623401622 350009948 /nfs/dbraw/zinc/00/99/48/350009948.db2.gz HITFNMXTCLHKOT-CABCVRRESA-N 2 1 269.477 2.425 20 0 CEADMP CC[C@H](C[C@@H](C)CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623436969 350019818 /nfs/dbraw/zinc/01/98/18/350019818.db2.gz LTLGDDYTBIZSHM-MCIONIFRSA-N 2 1 256.434 2.246 20 0 CEADMP Cc1cc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[nH]n1 ZINC000623453346 350024664 /nfs/dbraw/zinc/02/46/64/350024664.db2.gz KRPCROMJOJVVKF-DGCLKSJQSA-N 2 1 264.417 2.112 20 0 CEADMP Cc1cc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)n[nH]1 ZINC000623453346 350024669 /nfs/dbraw/zinc/02/46/69/350024669.db2.gz KRPCROMJOJVVKF-DGCLKSJQSA-N 2 1 264.417 2.112 20 0 CEADMP Cc1cc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)n[nH]1 ZINC000623453346 350024672 /nfs/dbraw/zinc/02/46/72/350024672.db2.gz KRPCROMJOJVVKF-DGCLKSJQSA-N 2 1 264.417 2.112 20 0 CEADMP Cn1nc(CNC[C@@H]2CCCC[N@@H+](C)C2)c2ccccc21 ZINC000623655813 350075248 /nfs/dbraw/zinc/07/52/48/350075248.db2.gz GBZFRDFJZAPFCJ-AWEZNQCLSA-N 2 1 286.423 2.395 20 0 CEADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623503814 350036806 /nfs/dbraw/zinc/03/68/06/350036806.db2.gz PHVBWYKAVREPHF-IAGOWNOFSA-N 2 1 290.451 2.361 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)CC1(C)C ZINC000623510152 350038569 /nfs/dbraw/zinc/03/85/69/350038569.db2.gz JRWSNLZTDZPAMG-AWEZNQCLSA-N 2 1 280.456 2.392 20 0 CEADMP c1cn2c(cccc2C[NH2+]C2CC[NH+](C3CCC3)CC2)n1 ZINC000271216036 191007409 /nfs/dbraw/zinc/00/74/09/191007409.db2.gz FDEUQLMAQWTWNE-UHFFFAOYSA-N 2 1 284.407 2.441 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000090845950 180044789 /nfs/dbraw/zinc/04/47/89/180044789.db2.gz BKHWJXXYFLDFKN-BBRMVZONSA-N 2 1 292.471 2.365 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000090845950 180044791 /nfs/dbraw/zinc/04/47/91/180044791.db2.gz BKHWJXXYFLDFKN-BBRMVZONSA-N 2 1 292.471 2.365 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1ccccc1NC(C)=O ZINC000090961079 180076054 /nfs/dbraw/zinc/07/60/54/180076054.db2.gz UKEZRWWQPRXEIU-UHFFFAOYSA-N 2 1 277.412 2.467 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000090961232 180076220 /nfs/dbraw/zinc/07/62/20/180076220.db2.gz BDQZNAANWLITHE-UHFFFAOYSA-N 2 1 275.396 2.221 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000090962633 180077372 /nfs/dbraw/zinc/07/73/72/180077372.db2.gz CBGFNCHWZLURKA-CQSZACIVSA-N 2 1 289.423 2.467 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000271295066 191056888 /nfs/dbraw/zinc/05/68/88/191056888.db2.gz RDICLSBRXJLXTC-GOSISDBHSA-N 2 1 285.435 2.041 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000271295066 191056891 /nfs/dbraw/zinc/05/68/91/191056891.db2.gz RDICLSBRXJLXTC-GOSISDBHSA-N 2 1 285.435 2.041 20 0 CEADMP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666119 180222154 /nfs/dbraw/zinc/22/21/54/180222154.db2.gz BCWCDAYGSWCXIX-KBAYOESNSA-N 2 1 288.435 2.461 20 0 CEADMP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666119 180222156 /nfs/dbraw/zinc/22/21/56/180222156.db2.gz BCWCDAYGSWCXIX-KBAYOESNSA-N 2 1 288.435 2.461 20 0 CEADMP C[C@H](C(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412136967 233348495 /nfs/dbraw/zinc/34/84/95/233348495.db2.gz VPXKYRFDRLKYNI-LJIZCISZSA-N 2 1 295.471 2.046 20 0 CEADMP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412136967 233348499 /nfs/dbraw/zinc/34/84/99/233348499.db2.gz VPXKYRFDRLKYNI-LJIZCISZSA-N 2 1 295.471 2.046 20 0 CEADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412136967 233348504 /nfs/dbraw/zinc/34/85/04/233348504.db2.gz VPXKYRFDRLKYNI-LJIZCISZSA-N 2 1 295.471 2.046 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000105480373 186059574 /nfs/dbraw/zinc/05/95/74/186059574.db2.gz YCFQUJCKMFKDLS-YOEHRIQHSA-N 3 1 275.440 2.178 20 0 CEADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000105480373 186059575 /nfs/dbraw/zinc/05/95/75/186059575.db2.gz YCFQUJCKMFKDLS-YOEHRIQHSA-N 2 1 275.440 2.178 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000339727543 215317692 /nfs/dbraw/zinc/31/76/92/215317692.db2.gz FZMGYPHRDCZJJS-OAHLLOKOSA-N 2 1 279.428 2.358 20 0 CEADMP CCO[C@H](C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1)C1CC1 ZINC000625211415 350430410 /nfs/dbraw/zinc/43/04/10/350430410.db2.gz COXCBDDFDMUWHW-AEGPPILISA-N 2 1 254.418 2.216 20 0 CEADMP CCO[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000625211415 350430413 /nfs/dbraw/zinc/43/04/13/350430413.db2.gz COXCBDDFDMUWHW-AEGPPILISA-N 2 1 254.418 2.216 20 0 CEADMP CCO[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC000625211415 350430417 /nfs/dbraw/zinc/43/04/17/350430417.db2.gz COXCBDDFDMUWHW-AEGPPILISA-N 2 1 254.418 2.216 20 0 CEADMP CCO[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000625211415 350430419 /nfs/dbraw/zinc/43/04/19/350430419.db2.gz COXCBDDFDMUWHW-AEGPPILISA-N 2 1 254.418 2.216 20 0 CEADMP CCO[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000625211415 350430421 /nfs/dbraw/zinc/43/04/21/350430421.db2.gz COXCBDDFDMUWHW-AEGPPILISA-N 2 1 254.418 2.216 20 0 CEADMP CN(C)CC[N@@H+](C)CCCN(C)Cc1ncccc1Cl ZINC000625432171 350496165 /nfs/dbraw/zinc/49/61/65/350496165.db2.gz MXTDSAMBFXIDRU-UHFFFAOYSA-N 2 1 298.862 2.050 20 0 CEADMP CN(CCCN(C)Cc1ncccc1Cl)CC[NH+](C)C ZINC000625432171 350496169 /nfs/dbraw/zinc/49/61/69/350496169.db2.gz MXTDSAMBFXIDRU-UHFFFAOYSA-N 2 1 298.862 2.050 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CCO1 ZINC000625563470 350529130 /nfs/dbraw/zinc/52/91/30/350529130.db2.gz QUFBQVIYWYIPLX-OAHLLOKOSA-N 2 1 268.445 2.465 20 0 CEADMP C[N@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000107788595 186191117 /nfs/dbraw/zinc/19/11/17/186191117.db2.gz SEAOINFXDDGFDS-GOSISDBHSA-N 2 1 287.451 2.335 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000334365390 282711672 /nfs/dbraw/zinc/71/16/72/282711672.db2.gz OBVVZQCPIMSDSX-ZIAGYGMSSA-N 2 1 254.418 2.264 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)CCO2 ZINC000130688016 365978525 /nfs/dbraw/zinc/97/85/25/365978525.db2.gz DWJXLUDAXAJKJT-VBNZEHGJSA-N 2 1 290.407 2.449 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)CCO2 ZINC000130688016 365978531 /nfs/dbraw/zinc/97/85/31/365978531.db2.gz DWJXLUDAXAJKJT-VBNZEHGJSA-N 2 1 290.407 2.449 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4n[nH]cc43)CC[C@H]21 ZINC000628190261 350998217 /nfs/dbraw/zinc/99/82/17/350998217.db2.gz ABIZESLPCCBBTC-RHSMWYFYSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4n[nH]cc43)CC[C@H]21 ZINC000628190261 350998219 /nfs/dbraw/zinc/99/82/19/350998219.db2.gz ABIZESLPCCBBTC-RHSMWYFYSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4n[nH]cc43)CC[C@H]21 ZINC000628190261 350998222 /nfs/dbraw/zinc/99/82/22/350998222.db2.gz ABIZESLPCCBBTC-RHSMWYFYSA-N 2 1 284.407 2.479 20 0 CEADMP Cc1nc(C)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)o1 ZINC000628201739 351002676 /nfs/dbraw/zinc/00/26/76/351002676.db2.gz RUVCVGGEFFBFBP-JTQLQIEISA-N 2 1 262.357 2.222 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000628205627 351004983 /nfs/dbraw/zinc/00/49/83/351004983.db2.gz XKHFOSJNLXPNSM-UHFFFAOYSA-N 2 1 260.341 2.237 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000628747197 351179119 /nfs/dbraw/zinc/17/91/19/351179119.db2.gz AGRSXAGRVNVBRY-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)[C@@H]1CCC[NH2+]1 ZINC000629511851 351381694 /nfs/dbraw/zinc/38/16/94/351381694.db2.gz BNRPJMKOYKYRAY-BBWFWOEESA-N 2 1 274.408 2.248 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cnc2ccsc2c1 ZINC000629521352 351387951 /nfs/dbraw/zinc/38/79/51/351387951.db2.gz NDCHKYOEUDFTTI-LLVKDONJSA-N 2 1 291.420 2.455 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1CC1 ZINC000629533264 351396233 /nfs/dbraw/zinc/39/62/33/351396233.db2.gz QGIZDIYHQAWIKJ-OWCLPIDISA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C[NH2+]1 ZINC000629414394 351355607 /nfs/dbraw/zinc/35/56/07/351355607.db2.gz OIGCQSRFDFQOEF-ZFWWWQNUSA-N 2 1 266.429 2.456 20 0 CEADMP COC1(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCCC1 ZINC000629656045 351453631 /nfs/dbraw/zinc/45/36/31/351453631.db2.gz ZRWNHKYGYDYJIW-CQSZACIVSA-N 2 1 252.402 2.021 20 0 CEADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)CCOCC[NH3+] ZINC000629665419 351457189 /nfs/dbraw/zinc/45/71/89/351457189.db2.gz VOBSZAPLXSBUAX-UHFFFAOYSA-N 2 1 270.804 2.364 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000629556197 351412553 /nfs/dbraw/zinc/41/25/53/351412553.db2.gz NMGHCELXOVVGAE-FMKPAKJESA-N 2 1 293.455 2.040 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CCC1 ZINC000629565035 351415468 /nfs/dbraw/zinc/41/54/68/351415468.db2.gz UPVKGVGBKRWROY-JHJVBQTASA-N 2 1 294.361 2.261 20 0 CEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629566011 351417547 /nfs/dbraw/zinc/41/75/47/351417547.db2.gz XMYFBUMPCPNPRF-ZNSHCXBVSA-N 2 1 250.308 2.102 20 0 CEADMP CC(C)CC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629567072 351417575 /nfs/dbraw/zinc/41/75/75/351417575.db2.gz VEAWRABJFNVPFN-WDEREUQCSA-N 2 1 252.324 2.492 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000629571547 351419402 /nfs/dbraw/zinc/41/94/02/351419402.db2.gz NWRYSMACMIYOLH-UHFFFAOYSA-N 2 1 298.452 2.085 20 0 CEADMP C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000629580333 351421826 /nfs/dbraw/zinc/42/18/26/351421826.db2.gz QVFWRIFGPDCQCF-GRYCIOLGSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000629580333 351421828 /nfs/dbraw/zinc/42/18/28/351421828.db2.gz QVFWRIFGPDCQCF-GRYCIOLGSA-N 2 1 280.334 2.028 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000070149581 363036326 /nfs/dbraw/zinc/03/63/26/363036326.db2.gz QJLYKWRRKPCMGB-OAHLLOKOSA-N 2 1 275.396 2.219 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCCO1 ZINC000339824296 215352027 /nfs/dbraw/zinc/35/20/27/215352027.db2.gz COBWBKITXBDOCU-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC000339824296 215352029 /nfs/dbraw/zinc/35/20/29/215352029.db2.gz COBWBKITXBDOCU-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCCO1 ZINC000339824296 215352033 /nfs/dbraw/zinc/35/20/33/215352033.db2.gz COBWBKITXBDOCU-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP Cc1nc2cc(NC(=O)C[N@H+](C)C3CCC3)ccc2[nH]1 ZINC000629945135 351545921 /nfs/dbraw/zinc/54/59/21/351545921.db2.gz DMVWJCLSPXQUNT-UHFFFAOYSA-N 2 1 272.352 2.294 20 0 CEADMP Cc1nc2ccc(NC(=O)C[N@@H+](C)C3CCC3)cc2[nH]1 ZINC000629945135 351545926 /nfs/dbraw/zinc/54/59/26/351545926.db2.gz DMVWJCLSPXQUNT-UHFFFAOYSA-N 2 1 272.352 2.294 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000630022479 351588813 /nfs/dbraw/zinc/58/88/13/351588813.db2.gz HWXUHSDOXRGSIE-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000630022479 351588814 /nfs/dbraw/zinc/58/88/14/351588814.db2.gz HWXUHSDOXRGSIE-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000630022479 351588815 /nfs/dbraw/zinc/58/88/15/351588815.db2.gz HWXUHSDOXRGSIE-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)C(C)(C)C ZINC000630383164 351717532 /nfs/dbraw/zinc/71/75/32/351717532.db2.gz YNTUXDHOUPTMOT-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc2ccccc2n1 ZINC000131483149 366058493 /nfs/dbraw/zinc/05/84/93/366058493.db2.gz JRYKECMKOSRQEC-CHWSQXEVSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)ncn3C)CC[N@H+]1C ZINC000336497150 213370291 /nfs/dbraw/zinc/37/02/91/213370291.db2.gz HLCJOZXQUHEFTC-GXTWGEPZSA-N 2 1 272.396 2.146 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000131551965 366064488 /nfs/dbraw/zinc/06/44/88/366064488.db2.gz WMNQNLXLTPGMIZ-UKRRQHHQSA-N 2 1 270.380 2.041 20 0 CEADMP COCc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000122059181 187012455 /nfs/dbraw/zinc/01/24/55/187012455.db2.gz FZEIWCZPUZLDDO-BBRMVZONSA-N 2 1 262.397 2.263 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000122650408 187043680 /nfs/dbraw/zinc/04/36/80/187043680.db2.gz PXZZFUXQJQUPAH-GDBMZVCRSA-N 3 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000122650408 187043681 /nfs/dbraw/zinc/04/36/81/187043681.db2.gz PXZZFUXQJQUPAH-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCCOCC(F)(F)F)CC[N@@H+]1C ZINC000123415495 187090736 /nfs/dbraw/zinc/09/07/36/187090736.db2.gz LSVFCUTYSWBURE-RYUDHWBXSA-N 2 1 282.350 2.370 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCCOCC(F)(F)F)CC[N@H+]1C ZINC000123415495 187090737 /nfs/dbraw/zinc/09/07/37/187090737.db2.gz LSVFCUTYSWBURE-RYUDHWBXSA-N 2 1 282.350 2.370 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCCOCC(F)(F)F)CC[NH+]1C ZINC000123415495 187090738 /nfs/dbraw/zinc/09/07/38/187090738.db2.gz LSVFCUTYSWBURE-RYUDHWBXSA-N 2 1 282.350 2.370 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCCOCC(F)(F)F)CC[NH+]1C ZINC000123415495 187090739 /nfs/dbraw/zinc/09/07/39/187090739.db2.gz LSVFCUTYSWBURE-RYUDHWBXSA-N 2 1 282.350 2.370 20 0 CEADMP Cc1nnc([C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)o1 ZINC000123630449 187101574 /nfs/dbraw/zinc/10/15/74/187101574.db2.gz MEVPWTWGPXQEHT-GFCCVEGCSA-N 2 1 280.416 2.493 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)COC)c1 ZINC000124007549 187118222 /nfs/dbraw/zinc/11/82/22/187118222.db2.gz DIELHOCUIUIIIR-ZDUSSCGKSA-N 2 1 250.386 2.263 20 0 CEADMP COCCc1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000631045798 351936851 /nfs/dbraw/zinc/93/68/51/351936851.db2.gz VLVABDFMLUXFOJ-QWHCGFSZSA-N 2 1 295.452 2.048 20 0 CEADMP COCCc1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000631045798 351936854 /nfs/dbraw/zinc/93/68/54/351936854.db2.gz VLVABDFMLUXFOJ-QWHCGFSZSA-N 2 1 295.452 2.048 20 0 CEADMP C[N@H+]1CCC[C@H](CNCc2ccnn2CC2CCC2)C1 ZINC000631068277 351946971 /nfs/dbraw/zinc/94/69/71/351946971.db2.gz HCFHATHDQUFLMD-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC000631068277 351946985 /nfs/dbraw/zinc/94/69/85/351946985.db2.gz HCFHATHDQUFLMD-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC1(C)COC1 ZINC000631197454 352011395 /nfs/dbraw/zinc/01/13/95/352011395.db2.gz ZIHKFHISKGOJKH-WBVHZDCISA-N 2 1 288.435 2.381 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H](O)C(F)(F)F ZINC000631232781 352029170 /nfs/dbraw/zinc/02/91/70/352029170.db2.gz VOJDNQDITRKOFR-NDBYEHHHSA-N 2 1 294.361 2.151 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](O)C(F)(F)F ZINC000631232781 352029173 /nfs/dbraw/zinc/02/91/73/352029173.db2.gz VOJDNQDITRKOFR-NDBYEHHHSA-N 2 1 294.361 2.151 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000071297819 363109494 /nfs/dbraw/zinc/10/94/94/363109494.db2.gz GEKKUZTVQBUOFQ-CQSZACIVSA-N 2 1 270.417 2.171 20 0 CEADMP COC[C@]1(C)CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000487047894 290329644 /nfs/dbraw/zinc/32/96/44/290329644.db2.gz RRHZTFQVYBCNDX-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP COC[C@]1(C)CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000487047894 290329647 /nfs/dbraw/zinc/32/96/47/290329647.db2.gz RRHZTFQVYBCNDX-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000093491254 539851012 /nfs/dbraw/zinc/85/10/12/539851012.db2.gz LBHJPBGEGUDDBJ-WCXIOVBPSA-N 3 1 279.472 2.229 20 0 CEADMP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000093491254 539851015 /nfs/dbraw/zinc/85/10/15/539851015.db2.gz LBHJPBGEGUDDBJ-WCXIOVBPSA-N 2 1 279.472 2.229 20 0 CEADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000093491254 539851018 /nfs/dbraw/zinc/85/10/18/539851018.db2.gz LBHJPBGEGUDDBJ-WCXIOVBPSA-N 2 1 279.472 2.229 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292048899 198145408 /nfs/dbraw/zinc/14/54/08/198145408.db2.gz BKAIAGUIZBRRBC-KRWDZBQOSA-N 2 1 288.391 2.001 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292048899 198145410 /nfs/dbraw/zinc/14/54/10/198145410.db2.gz BKAIAGUIZBRRBC-KRWDZBQOSA-N 2 1 288.391 2.001 20 0 CEADMP COC(=O)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292048899 198145411 /nfs/dbraw/zinc/14/54/11/198145411.db2.gz BKAIAGUIZBRRBC-KRWDZBQOSA-N 2 1 288.391 2.001 20 0 CEADMP COC(=O)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292048899 198145412 /nfs/dbraw/zinc/14/54/12/198145412.db2.gz BKAIAGUIZBRRBC-KRWDZBQOSA-N 2 1 288.391 2.001 20 0 CEADMP OC[C@@H](CC1CC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000678606280 539902985 /nfs/dbraw/zinc/90/29/85/539902985.db2.gz HZDBCBSPFVZZOS-GOSISDBHSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)CC[N@H+]1C ZINC000152219935 188003192 /nfs/dbraw/zinc/00/31/92/188003192.db2.gz RQFRJZSODCIGKP-HOCLYGCPSA-N 2 1 284.407 2.445 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250998678 539970995 /nfs/dbraw/zinc/97/09/95/539970995.db2.gz XPDHDIOZFAJGAP-UKRRQHHQSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250998678 539970998 /nfs/dbraw/zinc/97/09/98/539970998.db2.gz XPDHDIOZFAJGAP-UKRRQHHQSA-N 2 1 263.385 2.255 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccc(OC)c(F)c2)CC[C@H]1[NH3+] ZINC000251855804 539992830 /nfs/dbraw/zinc/99/28/30/539992830.db2.gz SGEFHBQGTUXGNU-GXTWGEPZSA-N 2 1 266.360 2.394 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)CC[C@H]1[NH3+] ZINC000251855804 539992832 /nfs/dbraw/zinc/99/28/32/539992832.db2.gz SGEFHBQGTUXGNU-GXTWGEPZSA-N 2 1 266.360 2.394 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@](C)(O)c2cccs2)CC[N@H+]1C ZINC000156878064 188286125 /nfs/dbraw/zinc/28/61/25/188286125.db2.gz RKTBOKSTKAZLOS-OBJOEFQTSA-N 2 1 268.426 2.028 20 0 CEADMP CC(C)[C@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000292540791 198326067 /nfs/dbraw/zinc/32/60/67/198326067.db2.gz GLVAQYXHKDJZTC-QZTJIDSGSA-N 2 1 290.451 2.457 20 0 CEADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000157918478 188346819 /nfs/dbraw/zinc/34/68/19/188346819.db2.gz DDMWCFCDHVSDDM-BBWFWOEESA-N 2 1 274.408 2.111 20 0 CEADMP Cc1cccc(NCc2ccnc(OCC[NH+](C)C)c2)[nH+]1 ZINC000158275106 188367133 /nfs/dbraw/zinc/36/71/33/188367133.db2.gz KZQVIQRIOIGBNE-UHFFFAOYSA-N 2 1 286.379 2.338 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000494893344 291003030 /nfs/dbraw/zinc/00/30/30/291003030.db2.gz WFSIHOCRRQUOJR-CABCVRRESA-N 2 1 295.471 2.288 20 0 CEADMP Cc1cccnc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252789337 540007960 /nfs/dbraw/zinc/00/79/60/540007960.db2.gz XSLUROJAAPDUMD-LSDHHAIUSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cccnc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252789337 540007964 /nfs/dbraw/zinc/00/79/64/540007964.db2.gz XSLUROJAAPDUMD-LSDHHAIUSA-N 2 1 259.397 2.354 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@H]1C ZINC000494931122 291005823 /nfs/dbraw/zinc/00/58/23/291005823.db2.gz PYWADNZSBACGHH-NONVJHHQSA-N 2 1 288.435 2.387 20 0 CEADMP COc1cccc(OCC[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337281892 366123061 /nfs/dbraw/zinc/12/30/61/366123061.db2.gz WUQBKBBZXDIDFQ-UHFFFAOYSA-N 2 1 292.423 2.492 20 0 CEADMP COc1cccc(OCC[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337281892 366123065 /nfs/dbraw/zinc/12/30/65/366123065.db2.gz WUQBKBBZXDIDFQ-UHFFFAOYSA-N 2 1 292.423 2.492 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)[C@H]1C ZINC000495034665 291012219 /nfs/dbraw/zinc/01/22/19/291012219.db2.gz FJWDAAHALCQDCX-ILXRZTDVSA-N 2 1 266.429 2.266 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488412558 290396409 /nfs/dbraw/zinc/39/64/09/290396409.db2.gz OOKUBQUJZWNPCV-GJZGRUSLSA-N 2 1 286.485 2.217 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1F ZINC000253187345 540016538 /nfs/dbraw/zinc/01/65/38/540016538.db2.gz JCFZZDHBXHMZSO-DGCLKSJQSA-N 2 1 266.360 2.251 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1F ZINC000253187345 540016540 /nfs/dbraw/zinc/01/65/40/540016540.db2.gz JCFZZDHBXHMZSO-DGCLKSJQSA-N 2 1 266.360 2.251 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(COC)CCC2)[C@@H](C)C1 ZINC000337381385 366145624 /nfs/dbraw/zinc/14/56/24/366145624.db2.gz JJGOINQJBQMKPE-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@@H](O)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000132779614 366170250 /nfs/dbraw/zinc/17/02/50/366170250.db2.gz UWQIYWCQKXDMSH-GOSISDBHSA-N 2 1 290.451 2.444 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451555717 283033664 /nfs/dbraw/zinc/03/36/64/283033664.db2.gz CBJMNNHWRJWAQU-VQHPVUNQSA-N 2 1 298.471 2.090 20 0 CEADMP CO[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451555717 283033667 /nfs/dbraw/zinc/03/36/67/283033667.db2.gz CBJMNNHWRJWAQU-VQHPVUNQSA-N 2 1 298.471 2.090 20 0 CEADMP CO[C@@H]1CC[NH+](CCC[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451555717 283033668 /nfs/dbraw/zinc/03/36/68/283033668.db2.gz CBJMNNHWRJWAQU-VQHPVUNQSA-N 2 1 298.471 2.090 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414708113 283061705 /nfs/dbraw/zinc/06/17/05/283061705.db2.gz OUMKGLXGLWCUKY-GJZGRUSLSA-N 2 1 255.450 2.024 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000257718195 540103212 /nfs/dbraw/zinc/10/32/12/540103212.db2.gz VEPSEBIGVKFGRH-INIZCTEOSA-N 2 1 260.381 2.271 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000257718195 540103215 /nfs/dbraw/zinc/10/32/15/540103215.db2.gz VEPSEBIGVKFGRH-INIZCTEOSA-N 2 1 260.381 2.271 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCc2ccccc2[C@@H](C)C1 ZINC000404733032 540127144 /nfs/dbraw/zinc/12/71/44/540127144.db2.gz JULAFZLYQWUYDQ-DOTOQJQBSA-N 2 1 290.451 2.349 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000404733032 540127147 /nfs/dbraw/zinc/12/71/47/540127147.db2.gz JULAFZLYQWUYDQ-DOTOQJQBSA-N 2 1 290.451 2.349 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000404733032 540127151 /nfs/dbraw/zinc/12/71/51/540127151.db2.gz JULAFZLYQWUYDQ-DOTOQJQBSA-N 2 1 290.451 2.349 20 0 CEADMP COc1ccnc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1OC ZINC000404380111 540121240 /nfs/dbraw/zinc/12/12/40/540121240.db2.gz MDYUKYQLUJZPQX-GXTWGEPZSA-N 2 1 293.411 2.048 20 0 CEADMP COc1ccnc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1OC ZINC000404380111 540121243 /nfs/dbraw/zinc/12/12/43/540121243.db2.gz MDYUKYQLUJZPQX-GXTWGEPZSA-N 2 1 293.411 2.048 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc3ccc(Cl)cn23)CC1 ZINC000271812711 191343195 /nfs/dbraw/zinc/34/31/95/191343195.db2.gz LBZBHNHHMGWOOP-UHFFFAOYSA-N 2 1 290.798 2.339 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)ccc21 ZINC000271817323 191344937 /nfs/dbraw/zinc/34/49/37/191344937.db2.gz MWKKVOHZQHPFNR-RDJZCZTQSA-N 2 1 298.434 2.489 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)ccc21 ZINC000271817323 191344939 /nfs/dbraw/zinc/34/49/39/191344939.db2.gz MWKKVOHZQHPFNR-RDJZCZTQSA-N 2 1 298.434 2.489 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)ccc21 ZINC000271817323 191344941 /nfs/dbraw/zinc/34/49/41/191344941.db2.gz MWKKVOHZQHPFNR-RDJZCZTQSA-N 2 1 298.434 2.489 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000451789633 283106154 /nfs/dbraw/zinc/10/61/54/283106154.db2.gz MPSHXRCHRZUMDO-AWEZNQCLSA-N 2 1 267.417 2.311 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000451789633 283106156 /nfs/dbraw/zinc/10/61/56/283106156.db2.gz MPSHXRCHRZUMDO-AWEZNQCLSA-N 2 1 267.417 2.311 20 0 CEADMP C[N@H+]1CC[C@H](NCC[NH+]2CCCCCC2)[C@H]2CCC[C@H]21 ZINC000367611194 283136340 /nfs/dbraw/zinc/13/63/40/283136340.db2.gz ATVFEFWPOLXRIN-IXDOHACOSA-N 2 1 279.472 2.325 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCO2)[C@@H]2CCC[C@H]21 ZINC000353391263 283137310 /nfs/dbraw/zinc/13/73/10/283137310.db2.gz BRLQRJDPMSSVKH-ZQDZILKHSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)[C@@H]2CCC[C@H]21 ZINC000353671641 283141644 /nfs/dbraw/zinc/14/16/44/283141644.db2.gz LHBDXSSFCOCYFV-HMDCTGQHSA-N 2 1 278.440 2.406 20 0 CEADMP Cc1nnc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000273631552 192238062 /nfs/dbraw/zinc/23/80/62/192238062.db2.gz SIQBWYASZSUULL-VIFPVBQESA-N 2 1 265.386 2.092 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2scnc2C2CC2)C[C@@H]1C[NH3+] ZINC000415130345 540250594 /nfs/dbraw/zinc/25/05/94/540250594.db2.gz QOJMSMGHFYVRFE-PWSUYJOCSA-N 2 1 265.426 2.437 20 0 CEADMP CCCC[C@H](CC)CC[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414979917 540248438 /nfs/dbraw/zinc/24/84/38/540248438.db2.gz VFGFULOTCAJREX-GJZGRUSLSA-N 2 1 255.450 2.086 20 0 CEADMP CCCC[C@@H](CC)CC[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414979915 540248521 /nfs/dbraw/zinc/24/85/21/540248521.db2.gz VFGFULOTCAJREX-CABCVRRESA-N 2 1 255.450 2.086 20 0 CEADMP CCC1CCC([N@H+](C)CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000338302628 366282950 /nfs/dbraw/zinc/28/29/50/366282950.db2.gz DKZIFMBSPKGDOJ-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC1CCC([N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000338302628 366282953 /nfs/dbraw/zinc/28/29/53/366282953.db2.gz DKZIFMBSPKGDOJ-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)OC(C)(C)C)C1 ZINC000076001377 363507770 /nfs/dbraw/zinc/50/77/70/363507770.db2.gz LDXNDOJOIHWVTM-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)OC(C)(C)C)C1 ZINC000076001377 363507777 /nfs/dbraw/zinc/50/77/77/363507777.db2.gz LDXNDOJOIHWVTM-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP C[N@@H+](CCCO[C@H]1CCCCO1)CCC[NH+]1CCCC1 ZINC000338345959 366308668 /nfs/dbraw/zinc/30/86/68/366308668.db2.gz IWNMHCFJAUJMHA-INIZCTEOSA-N 2 1 284.444 2.337 20 0 CEADMP C[N@@H+](CCCO[C@@H]1CCCCO1)CCC[NH+]1CCCC1 ZINC000338345961 366308739 /nfs/dbraw/zinc/30/87/39/366308739.db2.gz IWNMHCFJAUJMHA-MRXNPFEDSA-N 2 1 284.444 2.337 20 0 CEADMP CCCOC(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134946458 366378145 /nfs/dbraw/zinc/37/81/45/366378145.db2.gz LBHXOEZJEIWPGF-SQWLQELKSA-N 2 1 294.439 2.277 20 0 CEADMP C[C@H](C[NH2+]Cc1cc(-c2ccccc2)n[nH]1)C[NH+](C)C ZINC000491591547 290526848 /nfs/dbraw/zinc/52/68/48/290526848.db2.gz MFRUQRVPFGSLIN-CYBMUJFWSA-N 2 1 272.396 2.364 20 0 CEADMP CCCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000342191385 283239549 /nfs/dbraw/zinc/23/95/49/283239549.db2.gz DVFFNUYQFAQFLL-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000570507837 299260339 /nfs/dbraw/zinc/26/03/39/299260339.db2.gz DOZIFTHNJBFETQ-ZYHUDNBSSA-N 2 1 264.398 2.003 20 0 CEADMP CCc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000685042829 540308555 /nfs/dbraw/zinc/30/85/55/540308555.db2.gz NJTVLFBZKYVINI-UHFFFAOYSA-N 2 1 295.496 2.426 20 0 CEADMP C[C@@H](NCC[N@H+]1CCCC(C)(C)C1)c1ncc[nH]1 ZINC000353597860 540317352 /nfs/dbraw/zinc/31/73/52/540317352.db2.gz URUNAXNSXFDAJV-GFCCVEGCSA-N 2 1 250.390 2.182 20 0 CEADMP C[C@@H]([NH2+]CCN1CCCC(C)(C)C1)c1ncc[nH]1 ZINC000353597860 540317356 /nfs/dbraw/zinc/31/73/56/540317356.db2.gz URUNAXNSXFDAJV-GFCCVEGCSA-N 2 1 250.390 2.182 20 0 CEADMP Cc1cccnc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000166242091 540335216 /nfs/dbraw/zinc/33/52/16/540335216.db2.gz XSLUROJAAPDUMD-GJZGRUSLSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cccnc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000166242091 540335219 /nfs/dbraw/zinc/33/52/19/540335219.db2.gz XSLUROJAAPDUMD-GJZGRUSLSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cccn2c(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cnc12 ZINC000336224106 213051368 /nfs/dbraw/zinc/05/13/68/213051368.db2.gz AAOBPUYPFAJHOL-ZIAGYGMSSA-N 2 1 272.396 2.202 20 0 CEADMP Cc1cccn2c(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cnc12 ZINC000336224106 213051369 /nfs/dbraw/zinc/05/13/69/213051369.db2.gz AAOBPUYPFAJHOL-ZIAGYGMSSA-N 2 1 272.396 2.202 20 0 CEADMP CCc1cc(NCC2([NH+](C)C)CCCCC2)nc(C)[nH+]1 ZINC000359712015 540382048 /nfs/dbraw/zinc/38/20/48/540382048.db2.gz ATBZTVLEZCLPNB-UHFFFAOYSA-N 2 1 276.428 2.446 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccncc1C ZINC000294723656 199151993 /nfs/dbraw/zinc/15/19/93/199151993.db2.gz IGSXISWGMSRFBE-GFCCVEGCSA-N 2 1 258.369 2.321 20 0 CEADMP COCc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000135086156 366394616 /nfs/dbraw/zinc/39/46/16/366394616.db2.gz HEHWVRCDUDIIBT-BBRMVZONSA-N 2 1 262.397 2.263 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]CC2(N)CCCCCC2)CC[NH2+]1 ZINC000414863939 236524573 /nfs/dbraw/zinc/52/45/73/236524573.db2.gz YFAOTICSWTXKFX-ZIAGYGMSSA-N 2 1 253.434 2.016 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)OC1CCC1 ZINC000496545829 291149840 /nfs/dbraw/zinc/14/98/40/291149840.db2.gz GTOLRARVCJWZPP-AWEZNQCLSA-N 2 1 297.443 2.023 20 0 CEADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000570859030 299281750 /nfs/dbraw/zinc/28/17/50/299281750.db2.gz SUZGWFMXIOZCRO-KBMXLJTQSA-N 2 1 268.445 2.390 20 0 CEADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000570859030 299281753 /nfs/dbraw/zinc/28/17/53/299281753.db2.gz SUZGWFMXIOZCRO-KBMXLJTQSA-N 2 1 268.445 2.390 20 0 CEADMP COCC[N@@H+]1CCC[C@@H]1CNCc1ccc(OC)cc1F ZINC000578241767 366467519 /nfs/dbraw/zinc/46/75/19/366467519.db2.gz SLBNQSFCQMLWGH-CQSZACIVSA-N 2 1 296.386 2.035 20 0 CEADMP COCC[N@H+]1CCC[C@@H]1CNCc1ccc(OC)cc1F ZINC000578241767 366467521 /nfs/dbraw/zinc/46/75/21/366467521.db2.gz SLBNQSFCQMLWGH-CQSZACIVSA-N 2 1 296.386 2.035 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338785461 366522154 /nfs/dbraw/zinc/52/21/54/366522154.db2.gz NFQCRMSCBOHFAK-WQVCFCJDSA-N 2 1 295.858 2.482 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338785461 366522158 /nfs/dbraw/zinc/52/21/58/366522158.db2.gz NFQCRMSCBOHFAK-WQVCFCJDSA-N 2 1 295.858 2.482 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000578626223 366523296 /nfs/dbraw/zinc/52/32/96/366523296.db2.gz FZYIYEMZLZJNPM-UWVGGRQHSA-N 2 1 280.803 2.442 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000578634973 366524392 /nfs/dbraw/zinc/52/43/92/366524392.db2.gz QHEUFAKJLOFKMS-NEPJUHHUSA-N 2 1 294.361 2.011 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000578634973 366524395 /nfs/dbraw/zinc/52/43/95/366524395.db2.gz QHEUFAKJLOFKMS-NEPJUHHUSA-N 2 1 294.361 2.011 20 0 CEADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000312998127 540463493 /nfs/dbraw/zinc/46/34/93/540463493.db2.gz YVBQXSWAIJUWNR-CVEARBPZSA-N 2 1 298.471 2.018 20 0 CEADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000312998127 540463495 /nfs/dbraw/zinc/46/34/95/540463495.db2.gz YVBQXSWAIJUWNR-CVEARBPZSA-N 2 1 298.471 2.018 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000453092260 283469967 /nfs/dbraw/zinc/46/99/67/283469967.db2.gz DFGFVTRWIGIFNH-NUEKZKHPSA-N 2 1 296.842 2.488 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)c1ccccc1 ZINC000578783625 366548933 /nfs/dbraw/zinc/54/89/33/366548933.db2.gz CJCPKTYLOUJCNM-HZPDHXFCSA-N 2 1 264.413 2.430 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000578783625 366548939 /nfs/dbraw/zinc/54/89/39/366548939.db2.gz CJCPKTYLOUJCNM-HZPDHXFCSA-N 2 1 264.413 2.430 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000578903305 366566125 /nfs/dbraw/zinc/56/61/25/366566125.db2.gz CUEBOXVCSISSDK-NVXWUHKLSA-N 2 1 294.414 2.487 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000578903305 366566132 /nfs/dbraw/zinc/56/61/32/366566132.db2.gz CUEBOXVCSISSDK-NVXWUHKLSA-N 2 1 294.414 2.487 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000297833396 200289133 /nfs/dbraw/zinc/28/91/33/200289133.db2.gz ZWBKZBXBQQWRDP-QGZVFWFLSA-N 2 1 274.408 2.245 20 0 CEADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000339066892 366638471 /nfs/dbraw/zinc/63/84/71/366638471.db2.gz ITVXWPZLWPPJNZ-XHSDSOJGSA-N 2 1 288.439 2.285 20 0 CEADMP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339065997 366638727 /nfs/dbraw/zinc/63/87/27/366638727.db2.gz DKEWMZXDOUVYKQ-QZTJIDSGSA-N 3 1 287.451 2.465 20 0 CEADMP C[NH+](C)Cc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000339065997 366638729 /nfs/dbraw/zinc/63/87/29/366638729.db2.gz DKEWMZXDOUVYKQ-QZTJIDSGSA-N 2 1 287.451 2.465 20 0 CEADMP C[NH+](C)Cc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339065997 366638732 /nfs/dbraw/zinc/63/87/32/366638732.db2.gz DKEWMZXDOUVYKQ-QZTJIDSGSA-N 2 1 287.451 2.465 20 0 CEADMP CC(C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000178662522 189135794 /nfs/dbraw/zinc/13/57/94/189135794.db2.gz LWGSWDZNGUOZOJ-KBPBESRZSA-N 2 1 297.830 2.042 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178705440 189138988 /nfs/dbraw/zinc/13/89/88/189138988.db2.gz PCXBMKUQOBVWAJ-ZIAGYGMSSA-N 2 1 294.443 2.064 20 0 CEADMP CCO[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000675497006 540847441 /nfs/dbraw/zinc/84/74/41/540847441.db2.gz PJFHPBMWTNVLJX-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CCO[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000675497006 540847444 /nfs/dbraw/zinc/84/74/44/540847444.db2.gz PJFHPBMWTNVLJX-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CCO[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000675497006 540847445 /nfs/dbraw/zinc/84/74/45/540847445.db2.gz PJFHPBMWTNVLJX-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000179596256 189205885 /nfs/dbraw/zinc/20/58/85/189205885.db2.gz COVVDLRZNBJWGK-SMDDNHRTSA-N 2 1 266.360 2.407 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000179596256 189205886 /nfs/dbraw/zinc/20/58/86/189205886.db2.gz COVVDLRZNBJWGK-SMDDNHRTSA-N 2 1 266.360 2.407 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000675883159 540878576 /nfs/dbraw/zinc/87/85/76/540878576.db2.gz XDHSUARGFHMMAR-CVEARBPZSA-N 2 1 266.429 2.408 20 0 CEADMP CCCC[C@H](COC)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882363 540878701 /nfs/dbraw/zinc/87/87/01/540878701.db2.gz RFLMFYRELQUFBO-IAGOWNOFSA-N 2 1 298.471 2.425 20 0 CEADMP C1CC1[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCOC3)CC[C@H]21 ZINC000676712098 540946791 /nfs/dbraw/zinc/94/67/91/540946791.db2.gz DXRCKZOBECHIDM-FVQBIDKESA-N 2 1 264.413 2.114 20 0 CEADMP C1CC1[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCOC3)CC[C@H]21 ZINC000676712098 540946793 /nfs/dbraw/zinc/94/67/93/540946793.db2.gz DXRCKZOBECHIDM-FVQBIDKESA-N 2 1 264.413 2.114 20 0 CEADMP C1CC1[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCOC3)CC[C@H]21 ZINC000676712098 540946796 /nfs/dbraw/zinc/94/67/96/540946796.db2.gz DXRCKZOBECHIDM-FVQBIDKESA-N 2 1 264.413 2.114 20 0 CEADMP C1CC1[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCCOC3)CC[C@H]21 ZINC000676712098 540946799 /nfs/dbraw/zinc/94/67/99/540946799.db2.gz DXRCKZOBECHIDM-FVQBIDKESA-N 2 1 264.413 2.114 20 0 CEADMP c1ccc2c(c1)CN(CC[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000677237598 540995539 /nfs/dbraw/zinc/99/55/39/540995539.db2.gz KCUMEBKXZKGQGR-QZTJIDSGSA-N 2 1 285.435 2.219 20 0 CEADMP Cc1cnc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000677475023 541017383 /nfs/dbraw/zinc/01/73/83/541017383.db2.gz KREHFWAGIXUSTL-AWEZNQCLSA-N 2 1 263.385 2.147 20 0 CEADMP CN(Cc1ccc2c(n1)CCC2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000579806904 366705786 /nfs/dbraw/zinc/70/57/86/366705786.db2.gz WBFUNERPXZPAFR-CQSZACIVSA-N 2 1 273.424 2.344 20 0 CEADMP CO[C@@](C)(C[NH2+]CCCCn1cc[nH+]c1C)C1CC1 ZINC000638674940 370678539 /nfs/dbraw/zinc/67/85/39/370678539.db2.gz NPXVEYMBHVTGRY-HNNXBMFYSA-N 2 1 265.401 2.376 20 0 CEADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237064574 370686338 /nfs/dbraw/zinc/68/63/38/370686338.db2.gz AVCIMOPCXCAWRB-XUWVNRHRSA-N 2 1 297.487 2.234 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C12CCC2 ZINC000344175015 294037167 /nfs/dbraw/zinc/03/71/67/294037167.db2.gz SFCFHTIZOXYNED-AIEDFZFUSA-N 2 1 266.429 2.262 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C12CCC2 ZINC000344175015 294037173 /nfs/dbraw/zinc/03/71/73/294037173.db2.gz SFCFHTIZOXYNED-AIEDFZFUSA-N 2 1 266.429 2.262 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000154374710 366770008 /nfs/dbraw/zinc/77/00/08/366770008.db2.gz FUMGIBRYQGDZMQ-OAHLLOKOSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@@H]1C1CC1 ZINC000154374710 366770016 /nfs/dbraw/zinc/77/00/16/366770016.db2.gz FUMGIBRYQGDZMQ-OAHLLOKOSA-N 2 1 263.385 2.083 20 0 CEADMP CO[C@]1(C)C[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1(C)C ZINC000155131640 366808239 /nfs/dbraw/zinc/80/82/39/366808239.db2.gz SNVIFBMYIJZYKX-RMRHIDDWSA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@]1(C)C[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1(C)C ZINC000155131640 366808244 /nfs/dbraw/zinc/80/82/44/366808244.db2.gz SNVIFBMYIJZYKX-RMRHIDDWSA-N 2 1 254.418 2.262 20 0 CEADMP CSC[C@H]1CCC[N@@H+](CCCc2cncn2C)C1 ZINC000581734563 366818575 /nfs/dbraw/zinc/81/85/75/366818575.db2.gz PHPSFUNCYHSTGJ-ZDUSSCGKSA-N 2 1 267.442 2.428 20 0 CEADMP CSC[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000581734563 366818579 /nfs/dbraw/zinc/81/85/79/366818579.db2.gz PHPSFUNCYHSTGJ-ZDUSSCGKSA-N 2 1 267.442 2.428 20 0 CEADMP CSC[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000581734563 366818584 /nfs/dbraw/zinc/81/85/84/366818584.db2.gz PHPSFUNCYHSTGJ-ZDUSSCGKSA-N 2 1 267.442 2.428 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCOC1(C)C ZINC000340258664 366820387 /nfs/dbraw/zinc/82/03/87/366820387.db2.gz NITPAQUFNOFHJU-ZDUSSCGKSA-N 2 1 251.374 2.129 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCCC[C@@H]2C[NH3+])c1C ZINC000019844464 361561641 /nfs/dbraw/zinc/56/16/41/361561641.db2.gz BRUOVCGXMQAKJL-CYBMUJFWSA-N 2 1 263.385 2.020 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1([NH3+])CCCCC1 ZINC000019424599 361534558 /nfs/dbraw/zinc/53/45/58/361534558.db2.gz UNLMFQYKUFKNDX-CQSZACIVSA-N 2 1 281.444 2.029 20 0 CEADMP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000678608147 541157781 /nfs/dbraw/zinc/15/77/81/541157781.db2.gz ILQXNJGLIXFGEF-INIZCTEOSA-N 2 1 287.407 2.168 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000087409901 363854538 /nfs/dbraw/zinc/85/45/38/363854538.db2.gz CYGFPGQVFYIDFG-QWHCGFSZSA-N 2 1 264.417 2.111 20 0 CEADMP CCC[NH+]1CCC([NH2+]CC(=O)N(C)C2CCCCC2)CC1 ZINC000679467219 541276526 /nfs/dbraw/zinc/27/65/26/541276526.db2.gz NQNZEUIRESJMIK-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH2+]CCCC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000237181764 370697749 /nfs/dbraw/zinc/69/77/49/370697749.db2.gz NMJPHQCAUINDSL-UHFFFAOYSA-N 2 1 291.439 2.143 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(COC)c2)C1 ZINC000088553527 363905947 /nfs/dbraw/zinc/90/59/47/363905947.db2.gz MQTBUQLACWJPRE-MRXNPFEDSA-N 2 1 262.397 2.264 20 0 CEADMP C[C@H]([NH2+]C1CSC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679841230 541324398 /nfs/dbraw/zinc/32/43/98/541324398.db2.gz SUNZFSSALUGVIE-RYUDHWBXSA-N 2 1 254.443 2.344 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc(Cl)cn1 ZINC000090409506 364055582 /nfs/dbraw/zinc/05/55/82/364055582.db2.gz KSRVLLAZBMHQDT-YRGRVCCFSA-N 2 1 297.830 2.432 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ncccc1Cl ZINC000090408828 364055721 /nfs/dbraw/zinc/05/57/21/364055721.db2.gz AHSHOSYORHYYQS-MBNYWOFBSA-N 2 1 297.830 2.432 20 0 CEADMP CCc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)o1 ZINC000093132963 364143235 /nfs/dbraw/zinc/14/32/35/364143235.db2.gz YFDWYUQRTDXFND-OAHLLOKOSA-N 2 1 291.439 2.054 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])n21 ZINC000334616552 364087197 /nfs/dbraw/zinc/08/71/97/364087197.db2.gz RRHBMKQRSZAPJE-ZIAGYGMSSA-N 2 1 258.369 2.002 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cccnc2)CC1 ZINC000092739005 364103392 /nfs/dbraw/zinc/10/33/92/364103392.db2.gz PDOXZNFFSDHJED-INIZCTEOSA-N 2 1 290.455 2.150 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccnc1 ZINC000092750635 364104383 /nfs/dbraw/zinc/10/43/83/364104383.db2.gz ADQYHNLRTVCMPP-HUUCEWRRSA-N 2 1 289.423 2.233 20 0 CEADMP Clc1ccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)o1 ZINC000334648560 364131194 /nfs/dbraw/zinc/13/11/94/364131194.db2.gz UPRXOPGZJLAIOD-MRVPVSSYSA-N 2 1 251.717 2.303 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)n2c1 ZINC000334649631 364133814 /nfs/dbraw/zinc/13/38/14/364133814.db2.gz LTOJHWQAKPQRJY-ZIAGYGMSSA-N 2 1 272.396 2.202 20 0 CEADMP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)n2c1 ZINC000334649631 364133818 /nfs/dbraw/zinc/13/38/18/364133818.db2.gz LTOJHWQAKPQRJY-ZIAGYGMSSA-N 2 1 272.396 2.202 20 0 CEADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000093089185 364139972 /nfs/dbraw/zinc/13/99/72/364139972.db2.gz WYGLIMWMXNOFHM-UHFFFAOYSA-N 2 1 262.397 2.469 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC2CC[NH2+]CC2)C1 ZINC000237535727 370731147 /nfs/dbraw/zinc/73/11/47/370731147.db2.gz KSVYPADBWOTIDC-OAHLLOKOSA-N 2 1 295.471 2.004 20 0 CEADMP C[NH2+]CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000237293067 370706915 /nfs/dbraw/zinc/70/69/15/370706915.db2.gz LKCCQYZOYKOXJD-CYBMUJFWSA-N 2 1 275.396 2.219 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC1CC[NH2+]CC1 ZINC000237668399 370743191 /nfs/dbraw/zinc/74/31/91/370743191.db2.gz IISAAXHEXPWENL-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1cccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn21 ZINC000334979930 364303395 /nfs/dbraw/zinc/30/33/95/364303395.db2.gz KPWFXCNXMONLGQ-CVEARBPZSA-N 2 1 298.434 2.464 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000335670176 212389883 /nfs/dbraw/zinc/38/98/83/212389883.db2.gz MKQIRYQTGPFFGW-MLGOLLRUSA-N 2 1 260.381 2.147 20 0 CEADMP C[C@@H]1C[C@@H](NCC2([NH3+])CCCCCC2)CC[N@H+]1C ZINC000335057488 364412574 /nfs/dbraw/zinc/41/25/74/364412574.db2.gz DFYKWQGKOSUCKO-KGLIPLIRSA-N 3 1 253.434 2.110 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000581981832 366844242 /nfs/dbraw/zinc/84/42/42/366844242.db2.gz YIVZZZCRWSVNAF-HNNXBMFYSA-N 2 1 264.413 2.132 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000581981832 366844246 /nfs/dbraw/zinc/84/42/46/366844246.db2.gz YIVZZZCRWSVNAF-HNNXBMFYSA-N 2 1 264.413 2.132 20 0 CEADMP C[C@@H]1C[C@H](NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC[N@H+]1C ZINC000158646882 366858971 /nfs/dbraw/zinc/85/89/71/366858971.db2.gz BVILFBOSGJHSLU-MWDXBVQZSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000335188081 364597843 /nfs/dbraw/zinc/59/78/43/364597843.db2.gz FFUVIFBYBNWWSE-AAEUAGOBSA-N 2 1 258.369 2.325 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000335188081 364597846 /nfs/dbraw/zinc/59/78/46/364597846.db2.gz FFUVIFBYBNWWSE-AAEUAGOBSA-N 2 1 258.369 2.325 20 0 CEADMP C[C@@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)CC[N@H+]1C ZINC000335384754 364696778 /nfs/dbraw/zinc/69/67/78/364696778.db2.gz ZNEJTCVRLSTBSY-WXLSXGNJSA-N 3 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOC1CCCC1 ZINC000111634337 364748542 /nfs/dbraw/zinc/74/85/42/364748542.db2.gz WPJWQSQXAYKUKE-UMVBOHGHSA-N 2 1 254.418 2.264 20 0 CEADMP Brc1cc2c(s1)CC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335461745 364764850 /nfs/dbraw/zinc/76/48/50/364764850.db2.gz NRQILEGMIUBHKQ-VIFPVBQESA-N 2 1 287.226 2.307 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000335631312 212344884 /nfs/dbraw/zinc/34/48/84/212344884.db2.gz AGADRCZEEPLLFE-JKSUJKDBSA-N 2 1 259.397 2.212 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000113655241 364907747 /nfs/dbraw/zinc/90/77/47/364907747.db2.gz ZJQVOIWGOYVFFC-JSGCOSHPSA-N 2 1 278.396 2.263 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000113514232 364902116 /nfs/dbraw/zinc/90/21/16/364902116.db2.gz LPHBORFMLDBZRB-OAHLLOKOSA-N 2 1 262.397 2.257 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000113514232 364902119 /nfs/dbraw/zinc/90/21/19/364902119.db2.gz LPHBORFMLDBZRB-OAHLLOKOSA-N 2 1 262.397 2.257 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113515478 364904106 /nfs/dbraw/zinc/90/41/06/364904106.db2.gz HKWLLHZWOIJITO-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CC(=O)NCCCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000113933794 364918599 /nfs/dbraw/zinc/91/85/99/364918599.db2.gz XXHCWXMOQIQXGE-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000113933794 364918603 /nfs/dbraw/zinc/91/86/03/364918603.db2.gz XXHCWXMOQIQXGE-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000113933794 364918604 /nfs/dbraw/zinc/91/86/04/364918604.db2.gz XXHCWXMOQIQXGE-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000113933794 364918608 /nfs/dbraw/zinc/91/86/08/364918608.db2.gz XXHCWXMOQIQXGE-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000113933794 364918610 /nfs/dbraw/zinc/91/86/10/364918610.db2.gz XXHCWXMOQIQXGE-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C)CC2)CC1 ZINC000114455806 364945001 /nfs/dbraw/zinc/94/50/01/364945001.db2.gz OMMVAGPVBTZQTB-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CN(C)C[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000335959746 365220492 /nfs/dbraw/zinc/22/04/92/365220492.db2.gz YBCROSVWBRXBER-YOEHRIQHSA-N 2 1 279.472 2.323 20 0 CEADMP CCOC(=O)CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000119068587 365210010 /nfs/dbraw/zinc/21/00/10/365210010.db2.gz PVLVNTSHMAOPML-HNNXBMFYSA-N 2 1 282.428 2.136 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)Nc1ccnc(C)c1 ZINC000119828322 365329892 /nfs/dbraw/zinc/32/98/92/365329892.db2.gz AUTFIRNQHXGEES-UHFFFAOYSA-N 2 1 264.373 2.243 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2c(C)noc2C)[C@H](C)C1 ZINC000119501277 365282131 /nfs/dbraw/zinc/28/21/31/365282131.db2.gz QHMYMRWCSBFKFZ-MLGOLLRUSA-N 2 1 279.428 2.496 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2c(C)noc2C)[C@H](C)C1 ZINC000119501277 365282139 /nfs/dbraw/zinc/28/21/39/365282139.db2.gz QHMYMRWCSBFKFZ-MLGOLLRUSA-N 2 1 279.428 2.496 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2c(C)noc2C)[C@H](C)C1 ZINC000119501277 365282142 /nfs/dbraw/zinc/28/21/42/365282142.db2.gz QHMYMRWCSBFKFZ-MLGOLLRUSA-N 2 1 279.428 2.496 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2c(C)noc2C)[C@H](C)C1 ZINC000119501277 365282148 /nfs/dbraw/zinc/28/21/48/365282148.db2.gz QHMYMRWCSBFKFZ-MLGOLLRUSA-N 2 1 279.428 2.496 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119688380 365312142 /nfs/dbraw/zinc/31/21/42/365312142.db2.gz DGYVZSWVEYHVEM-KRWDZBQOSA-N 2 1 288.435 2.461 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159110747 366877714 /nfs/dbraw/zinc/87/77/14/366877714.db2.gz ARFLBVBTCYCJQC-HOCLYGCPSA-N 2 1 291.439 2.136 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000340473003 366899158 /nfs/dbraw/zinc/89/91/58/366899158.db2.gz JIARVZXRJVWCLI-CVEARBPZSA-N 3 1 267.461 2.325 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)CCN1C ZINC000340473003 366899163 /nfs/dbraw/zinc/89/91/63/366899163.db2.gz JIARVZXRJVWCLI-CVEARBPZSA-N 2 1 267.461 2.325 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000582368136 366901989 /nfs/dbraw/zinc/90/19/89/366901989.db2.gz XJGRZMKPNSLGHA-ZWNOBZJWSA-N 2 1 297.349 2.105 20 0 CEADMP C[C@H](CC[NH2+][C@@H](C)c1cn[nH]c1)[NH+]1CCCCC1 ZINC000340516430 366915699 /nfs/dbraw/zinc/91/56/99/366915699.db2.gz IFJJWNNFSUCNHK-OLZOCXBDSA-N 2 1 250.390 2.325 20 0 CEADMP Cc1nccn1CC[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680889487 541468656 /nfs/dbraw/zinc/46/86/56/541468656.db2.gz HRTNTHABBCQXMP-INIZCTEOSA-N 2 1 270.380 2.151 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680889487 541468659 /nfs/dbraw/zinc/46/86/59/541468659.db2.gz HRTNTHABBCQXMP-INIZCTEOSA-N 2 1 270.380 2.151 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680889487 541468662 /nfs/dbraw/zinc/46/86/62/541468662.db2.gz HRTNTHABBCQXMP-INIZCTEOSA-N 2 1 270.380 2.151 20 0 CEADMP C[NH2+][C@@H](C)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000582735451 366951417 /nfs/dbraw/zinc/95/14/17/366951417.db2.gz GTMMBXNQJSAAMG-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH2+][C@H]1CCC[N@H+](C[C@@H](C)CC2CCOCC2)C1 ZINC000340671377 366978852 /nfs/dbraw/zinc/97/88/52/366978852.db2.gz NBWMIYAVGVHAKJ-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH2+][C@H]1CCC[N@@H+](C[C@@H](C)CC2CCOCC2)C1 ZINC000340671377 366978857 /nfs/dbraw/zinc/97/88/57/366978857.db2.gz NBWMIYAVGVHAKJ-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000340682733 366984676 /nfs/dbraw/zinc/98/46/76/366984676.db2.gz OFMUOGDKHMDCME-MRXNPFEDSA-N 2 1 259.397 2.008 20 0 CEADMP CC(C)n1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000582980626 366986686 /nfs/dbraw/zinc/98/66/86/366986686.db2.gz XBFNKYCKUWTLJM-ARFHVFGLSA-N 2 1 276.428 2.426 20 0 CEADMP CC(C)n1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000582980626 366986688 /nfs/dbraw/zinc/98/66/88/366986688.db2.gz XBFNKYCKUWTLJM-ARFHVFGLSA-N 2 1 276.428 2.426 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000583071861 366995630 /nfs/dbraw/zinc/99/56/30/366995630.db2.gz WKJRCSIQRXEXST-DZGCQCFKSA-N 2 1 290.407 2.278 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000583084808 366997864 /nfs/dbraw/zinc/99/78/64/366997864.db2.gz BYRAZBOIBRGHRO-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)C[NH2+]CC2 ZINC000584058282 367137012 /nfs/dbraw/zinc/13/70/12/367137012.db2.gz PICDVGLFKBEBBE-MSOLQXFVSA-N 3 1 299.462 2.154 20 0 CEADMP Cn1cncc1CCC[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000583880111 367110404 /nfs/dbraw/zinc/11/04/04/367110404.db2.gz NQPVYJBHLJKAMK-UHFFFAOYSA-N 2 1 281.400 2.016 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)CCC(=O)OC(C)(C)C ZINC000583880111 367110408 /nfs/dbraw/zinc/11/04/08/367110408.db2.gz NQPVYJBHLJKAMK-UHFFFAOYSA-N 2 1 281.400 2.016 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000583880111 367110413 /nfs/dbraw/zinc/11/04/13/367110413.db2.gz NQPVYJBHLJKAMK-UHFFFAOYSA-N 2 1 281.400 2.016 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163183481 367222015 /nfs/dbraw/zinc/22/20/15/367222015.db2.gz WAKKFKYSYIPCNJ-IJEWVQPXSA-N 2 1 262.397 2.101 20 0 CEADMP C[C@H](CC1CCCCC1)C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000357958256 370852837 /nfs/dbraw/zinc/85/28/37/370852837.db2.gz JNEVTLNROYSHGN-UKRRQHHQSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@H](CC1CCCCC1)C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000357958256 370852839 /nfs/dbraw/zinc/85/28/39/370852839.db2.gz JNEVTLNROYSHGN-UKRRQHHQSA-N 2 1 254.418 2.252 20 0 CEADMP CCOC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245686293 370857351 /nfs/dbraw/zinc/85/73/51/370857351.db2.gz VDVWRFWEKKSBHW-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCOC[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245686293 370857353 /nfs/dbraw/zinc/85/73/53/370857353.db2.gz VDVWRFWEKKSBHW-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCOC[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245686293 370857355 /nfs/dbraw/zinc/85/73/55/370857355.db2.gz VDVWRFWEKKSBHW-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCCNc2ccccn2)CC[N@H+]1C ZINC000162835543 367195126 /nfs/dbraw/zinc/19/51/26/367195126.db2.gz UGWLPPCHAQEMCK-LSDHHAIUSA-N 2 1 276.428 2.346 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000162867689 367199549 /nfs/dbraw/zinc/19/95/49/367199549.db2.gz ONEGQEIJANJVOL-UONOGXRCSA-N 2 1 262.401 2.073 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000162867689 367199552 /nfs/dbraw/zinc/19/95/52/367199552.db2.gz ONEGQEIJANJVOL-UONOGXRCSA-N 2 1 262.401 2.073 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000162867689 367199555 /nfs/dbraw/zinc/19/95/55/367199555.db2.gz ONEGQEIJANJVOL-UONOGXRCSA-N 2 1 262.401 2.073 20 0 CEADMP Cc1nccn1C[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245579255 370843182 /nfs/dbraw/zinc/84/31/82/370843182.db2.gz BVAKATVOPWABCK-CVEARBPZSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1nccn1C[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245579255 370843186 /nfs/dbraw/zinc/84/31/86/370843186.db2.gz BVAKATVOPWABCK-CVEARBPZSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000245579255 370843188 /nfs/dbraw/zinc/84/31/88/370843188.db2.gz BVAKATVOPWABCK-CVEARBPZSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1cnn([C@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)c1 ZINC000162983673 367210062 /nfs/dbraw/zinc/21/00/62/367210062.db2.gz RSAIITLEWSLWRA-INIZCTEOSA-N 2 1 287.411 2.424 20 0 CEADMP Cc1cnn([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)c1 ZINC000162983673 367210064 /nfs/dbraw/zinc/21/00/64/367210064.db2.gz RSAIITLEWSLWRA-INIZCTEOSA-N 2 1 287.411 2.424 20 0 CEADMP COc1ccccc1[C@@H]1CC[N@@H+](CCn2ccnc2)C1 ZINC000163099861 367217800 /nfs/dbraw/zinc/21/78/00/367217800.db2.gz PBEAAJBGCCHNNY-CQSZACIVSA-N 2 1 271.364 2.381 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000164087423 367276274 /nfs/dbraw/zinc/27/62/74/367276274.db2.gz GAWBGUDMVNCCCV-STQMWFEESA-N 2 1 299.459 2.220 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000163240248 367226044 /nfs/dbraw/zinc/22/60/44/367226044.db2.gz JFOZRQXBFSZDFL-NWDGAFQWSA-N 2 1 268.788 2.388 20 0 CEADMP Cn1ccnc1C[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000163328942 367231594 /nfs/dbraw/zinc/23/15/94/367231594.db2.gz RQRCDLVBIVYQNW-CVEARBPZSA-N 2 1 290.455 2.159 20 0 CEADMP Cn1ccnc1C[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000163328942 367231597 /nfs/dbraw/zinc/23/15/97/367231597.db2.gz RQRCDLVBIVYQNW-CVEARBPZSA-N 2 1 290.455 2.159 20 0 CEADMP Cn1ccnc1C[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000163328942 367231601 /nfs/dbraw/zinc/23/16/01/367231601.db2.gz RQRCDLVBIVYQNW-CVEARBPZSA-N 2 1 290.455 2.159 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000163505878 367245471 /nfs/dbraw/zinc/24/54/71/367245471.db2.gz ILIYVYNJSBRBRQ-SOUVJXGZSA-N 2 1 255.450 2.037 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000163505878 367245477 /nfs/dbraw/zinc/24/54/77/367245477.db2.gz ILIYVYNJSBRBRQ-SOUVJXGZSA-N 2 1 255.450 2.037 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000163505878 367245484 /nfs/dbraw/zinc/24/54/84/367245484.db2.gz ILIYVYNJSBRBRQ-SOUVJXGZSA-N 2 1 255.450 2.037 20 0 CEADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2([NH3+])CC2)c1 ZINC000165338985 367307704 /nfs/dbraw/zinc/30/77/04/367307704.db2.gz RLWNLRPRARURAE-UHFFFAOYSA-N 2 1 298.390 2.485 20 0 CEADMP C[C@@H]1C[C@H](NC2CC[NH+](C3CCCC3)CC2)CC[N@H+]1C ZINC000166399752 367322569 /nfs/dbraw/zinc/32/25/69/367322569.db2.gz XYGLASRLLCINBT-GDBMZVCRSA-N 2 1 279.472 2.466 20 0 CEADMP COC1(C)CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000342144858 367386404 /nfs/dbraw/zinc/38/64/04/367386404.db2.gz CJJFXJZMCQFBGJ-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631565451 367404887 /nfs/dbraw/zinc/40/48/87/367404887.db2.gz GRIXNNLMDYGNOJ-KKUMJFAQSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2ncccc21 ZINC000631578192 367414521 /nfs/dbraw/zinc/41/45/21/367414521.db2.gz XFBKEHYFUXDCJF-OAHLLOKOSA-N 2 1 256.353 2.254 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC[N@@H+]1C ZINC000631588035 367422553 /nfs/dbraw/zinc/42/25/53/367422553.db2.gz PNGSZUSZRGFESI-YXMSTPNBSA-N 2 1 278.440 2.406 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC[N@H+]1C ZINC000631588035 367422555 /nfs/dbraw/zinc/42/25/55/367422555.db2.gz PNGSZUSZRGFESI-YXMSTPNBSA-N 2 1 278.440 2.406 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000342809891 367549475 /nfs/dbraw/zinc/54/94/75/367549475.db2.gz MNASLDLVYGHVBR-PWSUYJOCSA-N 2 1 285.338 2.113 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000342809891 367549482 /nfs/dbraw/zinc/54/94/82/367549482.db2.gz MNASLDLVYGHVBR-PWSUYJOCSA-N 2 1 285.338 2.113 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631826705 367563975 /nfs/dbraw/zinc/56/39/75/367563975.db2.gz VMSPXAPABMOTBL-ZJIFWQFVSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000631829024 367567541 /nfs/dbraw/zinc/56/75/41/367567541.db2.gz DQZCGWKMEDRFPV-IMJJTQAJSA-N 2 1 266.429 2.123 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000681547855 541565065 /nfs/dbraw/zinc/56/50/65/541565065.db2.gz QFEULVIDPIKVAL-UHFFFAOYSA-N 2 1 295.333 2.396 20 0 CEADMP CC[C@H]1CO[C@H](C)C[N@@H+]1CCCn1cc[nH+]c1C ZINC000342858516 367574075 /nfs/dbraw/zinc/57/40/75/367574075.db2.gz AATLVOKFSZBZIQ-OCCSQVGLSA-N 2 1 251.374 2.081 20 0 CEADMP CC[C@H]1CO[C@H](C)C[N@H+]1CCCn1cc[nH+]c1C ZINC000342858516 367574080 /nfs/dbraw/zinc/57/40/80/367574080.db2.gz AATLVOKFSZBZIQ-OCCSQVGLSA-N 2 1 251.374 2.081 20 0 CEADMP OCC[NH2+]C1CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000631864393 367599583 /nfs/dbraw/zinc/59/95/83/367599583.db2.gz NFSYFJZONRWCNB-UHFFFAOYSA-N 2 1 298.430 2.429 20 0 CEADMP c1ccc2c(CC[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)noc2c1 ZINC000631888952 367611048 /nfs/dbraw/zinc/61/10/48/367611048.db2.gz AATFKSDOIRYANK-XJKSGUPXSA-N 2 1 285.391 2.444 20 0 CEADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000342964115 367616086 /nfs/dbraw/zinc/61/60/86/367616086.db2.gz WGKDHKKRHPNVKM-HZPDHXFCSA-N 2 1 297.487 2.011 20 0 CEADMP CCOc1ccc(OCC[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000172196905 367695167 /nfs/dbraw/zinc/69/51/67/367695167.db2.gz BPFWMGNDHNIWAK-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000172196905 367695171 /nfs/dbraw/zinc/69/51/71/367695171.db2.gz BPFWMGNDHNIWAK-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP CC(C)[C@@H](CN[C@H]1C[N@H+](C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000343271426 367735302 /nfs/dbraw/zinc/73/53/02/367735302.db2.gz QTQWXOLRKXYQDJ-YESZJQIVSA-N 2 1 281.488 2.283 20 0 CEADMP CC(C)[C@@H](CN[C@H]1C[N@@H+](C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000343271426 367735307 /nfs/dbraw/zinc/73/53/07/367735307.db2.gz QTQWXOLRKXYQDJ-YESZJQIVSA-N 2 1 281.488 2.283 20 0 CEADMP CC(C[NH+]1CCSC[C@@H]1C)C[N@@H+]1CCSC[C@@H]1C ZINC000172592970 367783505 /nfs/dbraw/zinc/78/35/05/367783505.db2.gz XPAZTAYTEZRSOG-KBPBESRZSA-N 2 1 288.526 2.497 20 0 CEADMP CC(C[NH+]1CCSC[C@@H]1C)C[N@H+]1CCSC[C@@H]1C ZINC000172592970 367783510 /nfs/dbraw/zinc/78/35/10/367783510.db2.gz XPAZTAYTEZRSOG-KBPBESRZSA-N 2 1 288.526 2.497 20 0 CEADMP C[C@@H](CO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245766672 370871221 /nfs/dbraw/zinc/87/12/21/370871221.db2.gz WMUFEKDSPWGXOC-DDBAPUKQSA-N 2 1 288.435 2.400 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](CC(C)C)CC2)C1 ZINC000358028233 370876168 /nfs/dbraw/zinc/87/61/68/370876168.db2.gz TTXJMJJKVJQTRA-ZBFHGGJFSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000358080039 370896174 /nfs/dbraw/zinc/89/61/74/370896174.db2.gz FNIIDVHHLVUMAQ-MJBXVCDLSA-N 2 1 284.444 2.427 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000335526316 212216939 /nfs/dbraw/zinc/21/69/39/212216939.db2.gz FRAGPECSSGRYKP-OLZOCXBDSA-N 2 1 290.411 2.010 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC000343619684 367921399 /nfs/dbraw/zinc/92/13/99/367921399.db2.gz TUPDHEMUVHIETO-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CC[N@@H+]1C[C@H](NC[C@@H](C2CCCCC2)[NH+](C)C)[C@@H](C)C1 ZINC000343583933 367898528 /nfs/dbraw/zinc/89/85/28/367898528.db2.gz ZGXZTTREJPZCSG-XIRDDKMYSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NCC[NH+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000344227122 368114632 /nfs/dbraw/zinc/11/46/32/368114632.db2.gz VDZBTMPETHRBAX-CAOSSQGBSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCC[NH+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000344227122 368114640 /nfs/dbraw/zinc/11/46/40/368114640.db2.gz VDZBTMPETHRBAX-CAOSSQGBSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000344227122 368114644 /nfs/dbraw/zinc/11/46/44/368114644.db2.gz VDZBTMPETHRBAX-CAOSSQGBSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000344227122 368114651 /nfs/dbraw/zinc/11/46/51/368114651.db2.gz VDZBTMPETHRBAX-CAOSSQGBSA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000344006356 368100874 /nfs/dbraw/zinc/10/08/74/368100874.db2.gz CXCPYOOXESZOFH-IUDNXUCKSA-N 2 1 283.460 2.144 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000344006356 368100880 /nfs/dbraw/zinc/10/08/80/368100880.db2.gz CXCPYOOXESZOFH-IUDNXUCKSA-N 2 1 283.460 2.144 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2)[C@@H](C)C1 ZINC000345160241 368174899 /nfs/dbraw/zinc/17/48/99/368174899.db2.gz PKVQNTANOSLJJD-SZMVWBNQSA-N 2 1 290.451 2.158 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](OC)C(F)(F)F)[C@@H](C)C1 ZINC000345473736 368289736 /nfs/dbraw/zinc/28/97/36/368289736.db2.gz AXSFMBXOTCCXOK-SRVKXCTJSA-N 2 1 282.350 2.274 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000572606317 299383905 /nfs/dbraw/zinc/38/39/05/299383905.db2.gz NBEGSNXUOYVPGL-UHFFFAOYSA-N 3 1 281.488 2.428 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000178695016 368308788 /nfs/dbraw/zinc/30/87/88/368308788.db2.gz YXKVZUUXQYGSEO-AWEZNQCLSA-N 3 1 278.444 2.292 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(O)cc1 ZINC000682404625 541659436 /nfs/dbraw/zinc/65/94/36/541659436.db2.gz HHQQTCQHUXJCMR-DJIMGWMZSA-N 2 1 290.407 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(O)cc1 ZINC000682404625 541659439 /nfs/dbraw/zinc/65/94/39/541659439.db2.gz HHQQTCQHUXJCMR-DJIMGWMZSA-N 2 1 290.407 2.076 20 0 CEADMP [NH3+][C@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000346097196 368543897 /nfs/dbraw/zinc/54/38/97/368543897.db2.gz QAAYQLAEZSOSKA-INIZCTEOSA-N 2 1 262.397 2.059 20 0 CEADMP [NH3+][C@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000346097196 368543901 /nfs/dbraw/zinc/54/39/01/368543901.db2.gz QAAYQLAEZSOSKA-INIZCTEOSA-N 2 1 262.397 2.059 20 0 CEADMP CC(C)C[C@H]1COCC[N@H+]1CCCn1ccnc1 ZINC000182782697 368589824 /nfs/dbraw/zinc/58/98/24/368589824.db2.gz DUWGESWWQWBLGW-AWEZNQCLSA-N 2 1 251.374 2.020 20 0 CEADMP C[C@H](CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000346279995 368619082 /nfs/dbraw/zinc/61/90/82/368619082.db2.gz ULQNKLUMMUSMEL-IXDOHACOSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000346279995 368619085 /nfs/dbraw/zinc/61/90/85/368619085.db2.gz ULQNKLUMMUSMEL-IXDOHACOSA-N 3 1 279.472 2.467 20 0 CEADMP C[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000346279995 368619090 /nfs/dbraw/zinc/61/90/90/368619090.db2.gz ULQNKLUMMUSMEL-IXDOHACOSA-N 3 1 279.472 2.467 20 0 CEADMP C[C@@H]1C[C@H](NCC2(C[NH+](C)C)CCCC2)CC[N@H+]1C ZINC000183950950 368659912 /nfs/dbraw/zinc/65/99/12/368659912.db2.gz KENVBNQIRPPMEA-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CC[N@@H+]1C ZINC000183950950 368659914 /nfs/dbraw/zinc/65/99/14/368659914.db2.gz KENVBNQIRPPMEA-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CC[N@H+]1C ZINC000183950950 368659916 /nfs/dbraw/zinc/65/99/16/368659916.db2.gz KENVBNQIRPPMEA-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346667953 368761371 /nfs/dbraw/zinc/76/13/71/368761371.db2.gz FMGDXFQTRIMEAZ-NFAWXSAZSA-N 2 1 254.418 2.108 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000346671493 368762587 /nfs/dbraw/zinc/76/25/87/368762587.db2.gz JTVFNLRMUIHTEG-PWSUYJOCSA-N 2 1 290.436 2.442 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000346671493 368762595 /nfs/dbraw/zinc/76/25/95/368762595.db2.gz JTVFNLRMUIHTEG-PWSUYJOCSA-N 2 1 290.436 2.442 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000185206227 368766965 /nfs/dbraw/zinc/76/69/65/368766965.db2.gz GSWYVFRPJADURT-HOTGVXAUSA-N 2 1 298.471 2.279 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1-c1cccs1 ZINC000346682121 368767454 /nfs/dbraw/zinc/76/74/54/368767454.db2.gz PENMSPAIYGNFBE-VXGBXAGGSA-N 2 1 290.436 2.318 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OC(F)F)c1 ZINC000346685542 368768957 /nfs/dbraw/zinc/76/89/57/368768957.db2.gz SUYJRYPKTMEIFW-JQWIXIFHSA-N 2 1 270.323 2.457 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](C)CC1CCOCC1 ZINC000346685284 368769158 /nfs/dbraw/zinc/76/91/58/368769158.db2.gz QPZWRGTVCHZAKA-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](C)CC1CCOCC1 ZINC000346685284 368769162 /nfs/dbraw/zinc/76/91/62/368769162.db2.gz QPZWRGTVCHZAKA-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346686336 368769198 /nfs/dbraw/zinc/76/91/98/368769198.db2.gz UFJAFLWOUSKCDL-UKRRQHHQSA-N 2 1 284.407 2.350 20 0 CEADMP CCCn1nc(C)c(C[N@H+](C)CC(C)(C)C[NH3+])c1C ZINC000346689600 368771354 /nfs/dbraw/zinc/77/13/54/368771354.db2.gz ZOVLPRDEKBOSPI-UHFFFAOYSA-N 2 1 266.433 2.327 20 0 CEADMP CCCn1nc(C)c(C[N@@H+](C)CC(C)(C)C[NH3+])c1C ZINC000346689600 368771360 /nfs/dbraw/zinc/77/13/60/368771360.db2.gz ZOVLPRDEKBOSPI-UHFFFAOYSA-N 2 1 266.433 2.327 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC)C2(C)C)[C@H](C)C1 ZINC000347424395 368808207 /nfs/dbraw/zinc/80/82/07/368808207.db2.gz UMMFQORRQAUYJU-XJFOESAGSA-N 2 1 254.418 2.120 20 0 CEADMP O[C@]1(C[NH2+]CCC2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634706691 368831251 /nfs/dbraw/zinc/83/12/51/368831251.db2.gz TXGPBSPUSJXCEK-KRWDZBQOSA-N 2 1 274.408 2.013 20 0 CEADMP O[C@]1(C[NH2+]CCC2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634706691 368831259 /nfs/dbraw/zinc/83/12/59/368831259.db2.gz TXGPBSPUSJXCEK-KRWDZBQOSA-N 2 1 274.408 2.013 20 0 CEADMP CCOC(=O)CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661318 368838484 /nfs/dbraw/zinc/83/84/84/368838484.db2.gz BSSIDIVCWDUSPP-KGLIPLIRSA-N 2 1 282.428 2.182 20 0 CEADMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC)[NH+](CC)CC ZINC000346965908 368794470 /nfs/dbraw/zinc/79/44/70/368794470.db2.gz CCRZQJYGSQUONM-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1 ZINC000347061195 368797731 /nfs/dbraw/zinc/79/77/31/368797731.db2.gz YOBJDXGVEGCZDQ-TZMCWYRMSA-N 2 1 277.412 2.266 20 0 CEADMP CCN(CC)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185718183 368848166 /nfs/dbraw/zinc/84/81/66/368848166.db2.gz SRXVCMGHYUDOEV-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCN(CC)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718183 368848168 /nfs/dbraw/zinc/84/81/68/368848168.db2.gz SRXVCMGHYUDOEV-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185756745 368854767 /nfs/dbraw/zinc/85/47/67/368854767.db2.gz XZRVRSATHNCECA-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP CCCCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185756745 368854777 /nfs/dbraw/zinc/85/47/77/368854777.db2.gz XZRVRSATHNCECA-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCc2nn(C)c3ccccc23)CC[N@H+]1C ZINC000186480491 368980767 /nfs/dbraw/zinc/98/07/67/368980767.db2.gz WDDXHOJOTSXKGV-UONOGXRCSA-N 2 1 286.423 2.188 20 0 CEADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)[C@@H]1CCCO1 ZINC000348278366 368981905 /nfs/dbraw/zinc/98/19/05/368981905.db2.gz KRPVLZTWGIDYCN-KBPBESRZSA-N 2 1 251.374 2.129 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000348318338 369000634 /nfs/dbraw/zinc/00/06/34/369000634.db2.gz KFPLPMMPZSZXNE-RHSMWYFYSA-N 2 1 291.439 2.379 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NCC12CC(C1)C[NH2+]2 ZINC000634993198 369022065 /nfs/dbraw/zinc/02/20/65/369022065.db2.gz NCKNLHGPMBKGSM-UHFFFAOYSA-N 2 1 287.451 2.239 20 0 CEADMP Nc1ccc(-c2cccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000634995170 369025657 /nfs/dbraw/zinc/02/56/57/369025657.db2.gz XKLMGRRUXHXUOU-CQSZACIVSA-N 2 1 296.418 2.420 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCCCC[C@@H]([NH3+])C2)c1 ZINC000634997089 369026348 /nfs/dbraw/zinc/02/63/48/369026348.db2.gz COMNJROGWIRDKC-CYBMUJFWSA-N 2 1 263.385 2.102 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@@H]2CCC[C@H]21 ZINC000635010931 369048322 /nfs/dbraw/zinc/04/83/22/369048322.db2.gz OHVMKJNZTMELNI-GBESFXJTSA-N 3 1 299.462 2.295 20 0 CEADMP CN1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@@H]2CCC[C@H]21 ZINC000635010931 369048326 /nfs/dbraw/zinc/04/83/26/369048326.db2.gz OHVMKJNZTMELNI-GBESFXJTSA-N 2 1 299.462 2.295 20 0 CEADMP C[N@@H+]1CC[C@H](NCc2cccc3c2CC[NH2+]C3)[C@@H]2CCC[C@H]21 ZINC000635010931 369048332 /nfs/dbraw/zinc/04/83/32/369048332.db2.gz OHVMKJNZTMELNI-GBESFXJTSA-N 2 1 299.462 2.295 20 0 CEADMP C[N@H+]1CC[C@H](NCc2cccc3c2CC[NH2+]C3)[C@@H]2CCC[C@H]21 ZINC000635010931 369048337 /nfs/dbraw/zinc/04/83/37/369048337.db2.gz OHVMKJNZTMELNI-GBESFXJTSA-N 2 1 299.462 2.295 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CCC[C@H]1[NH3+] ZINC000635003179 369038700 /nfs/dbraw/zinc/03/87/00/369038700.db2.gz GXIJQDCGRVWZOV-SPUZQDLCSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635008276 369044137 /nfs/dbraw/zinc/04/41/37/369044137.db2.gz RHNINPJHRYHYLR-UWWQBHOKSA-N 2 1 287.451 2.019 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635008276 369044140 /nfs/dbraw/zinc/04/41/40/369044140.db2.gz RHNINPJHRYHYLR-UWWQBHOKSA-N 2 1 287.451 2.019 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccon1 ZINC000634953113 368986951 /nfs/dbraw/zinc/98/69/51/368986951.db2.gz RTIVMGWZMWRLCU-ZDUSSCGKSA-N 2 1 251.374 2.419 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634955229 368988810 /nfs/dbraw/zinc/98/88/10/368988810.db2.gz BLGCFLYUWHPJFQ-HNNXBMFYSA-N 2 1 284.407 2.451 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000348303982 368992822 /nfs/dbraw/zinc/99/28/22/368992822.db2.gz RGEFTFNNCGZYBA-JKSUJKDBSA-N 2 1 278.444 2.410 20 0 CEADMP C[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000635013203 369051898 /nfs/dbraw/zinc/05/18/98/369051898.db2.gz DDXCSTCHLONMRC-NJZAAPMLSA-N 2 1 282.815 2.146 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000348641915 369110048 /nfs/dbraw/zinc/11/00/48/369110048.db2.gz MMUAEQZWLWKSGX-NWANDNLSSA-N 2 1 275.396 2.368 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000348641915 369110053 /nfs/dbraw/zinc/11/00/53/369110053.db2.gz MMUAEQZWLWKSGX-NWANDNLSSA-N 2 1 275.396 2.368 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000348753223 369142213 /nfs/dbraw/zinc/14/22/13/369142213.db2.gz WKEYCMHARZZKPK-CQSZACIVSA-N 2 1 250.361 2.300 20 0 CEADMP COC[C@H](C)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000187347111 369144191 /nfs/dbraw/zinc/14/41/91/369144191.db2.gz WXXWULDVMLPTFA-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCC1)C1CCOCC1 ZINC000187746981 369216826 /nfs/dbraw/zinc/21/68/26/369216826.db2.gz OKGUULWOMRNENH-IRXDYDNUSA-N 2 1 298.471 2.138 20 0 CEADMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)CC(C)(C)C ZINC000635534208 369207873 /nfs/dbraw/zinc/20/78/73/369207873.db2.gz DPOPZUJRAAHJNF-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)CC(C)(C)COC ZINC000349058947 369231373 /nfs/dbraw/zinc/23/13/73/369231373.db2.gz AOFUTYTWQVTVDI-INIZCTEOSA-N 2 1 299.503 2.007 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C[NH+](C)CC(C)(C)C ZINC000635616287 369249834 /nfs/dbraw/zinc/24/98/34/369249834.db2.gz UGUAKCDEBDKCKY-HNNXBMFYSA-N 2 1 297.487 2.297 20 0 CEADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C[N@H+](C)CC(C)(C)C ZINC000635616287 369249837 /nfs/dbraw/zinc/24/98/37/369249837.db2.gz UGUAKCDEBDKCKY-HNNXBMFYSA-N 2 1 297.487 2.297 20 0 CEADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635616287 369249843 /nfs/dbraw/zinc/24/98/43/369249843.db2.gz UGUAKCDEBDKCKY-HNNXBMFYSA-N 2 1 297.487 2.297 20 0 CEADMP COC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000188166553 369310171 /nfs/dbraw/zinc/31/01/71/369310171.db2.gz MEBWRXJSKGVPGU-CABCVRRESA-N 2 1 256.434 2.227 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000349958253 369465294 /nfs/dbraw/zinc/46/52/94/369465294.db2.gz ARGNVJLOHGGCAY-GDBMZVCRSA-N 2 1 268.445 2.323 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(C)s1 ZINC000358250065 370971779 /nfs/dbraw/zinc/97/17/79/370971779.db2.gz KWTRNPMLZBXCBM-RISCZKNCSA-N 2 1 268.426 2.082 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(C)s1 ZINC000358250065 370971784 /nfs/dbraw/zinc/97/17/84/370971784.db2.gz KWTRNPMLZBXCBM-RISCZKNCSA-N 2 1 268.426 2.082 20 0 CEADMP c1nc(C2CC2)ncc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358250666 370973233 /nfs/dbraw/zinc/97/32/33/370973233.db2.gz LBHRFLHVBBMDRK-HOTGVXAUSA-N 2 1 286.423 2.113 20 0 CEADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358250792 370973291 /nfs/dbraw/zinc/97/32/91/370973291.db2.gz JZFNPMXNSVWRKR-OAUYIBNBSA-N 2 1 292.398 2.105 20 0 CEADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358250792 370973295 /nfs/dbraw/zinc/97/32/95/370973295.db2.gz JZFNPMXNSVWRKR-OAUYIBNBSA-N 2 1 292.398 2.105 20 0 CEADMP Cc1cccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1C ZINC000358265285 370982852 /nfs/dbraw/zinc/98/28/52/370982852.db2.gz ZLRDKKJWVSYJMY-GDBMZVCRSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1cccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1C ZINC000358265285 370982859 /nfs/dbraw/zinc/98/28/59/370982859.db2.gz ZLRDKKJWVSYJMY-GDBMZVCRSA-N 2 1 262.397 2.021 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000350454826 369537031 /nfs/dbraw/zinc/53/70/31/369537031.db2.gz FZLVXKWSUVMDFQ-DJIMGWMZSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000350454826 369537035 /nfs/dbraw/zinc/53/70/35/369537035.db2.gz FZLVXKWSUVMDFQ-DJIMGWMZSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H](CC1CCOCC1)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000350454826 369537037 /nfs/dbraw/zinc/53/70/37/369537037.db2.gz FZLVXKWSUVMDFQ-DJIMGWMZSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H](CC1CCOCC1)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000350454826 369537039 /nfs/dbraw/zinc/53/70/39/369537039.db2.gz FZLVXKWSUVMDFQ-DJIMGWMZSA-N 2 1 280.456 2.465 20 0 CEADMP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12)CC(C)(C)C ZINC000636142516 369530446 /nfs/dbraw/zinc/53/04/46/369530446.db2.gz MCRDWSILQQLHNU-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)CC(C)(C)C ZINC000636142516 369530452 /nfs/dbraw/zinc/53/04/52/369530452.db2.gz MCRDWSILQQLHNU-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)CC(C)(C)C ZINC000636142516 369530457 /nfs/dbraw/zinc/53/04/57/369530457.db2.gz MCRDWSILQQLHNU-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)=C(C)CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000636161816 369540912 /nfs/dbraw/zinc/54/09/12/369540912.db2.gz RDWLUYONHCXPMV-HNNXBMFYSA-N 2 1 283.460 2.121 20 0 CEADMP CC(C)=C(C)CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000636161816 369540915 /nfs/dbraw/zinc/54/09/15/369540915.db2.gz RDWLUYONHCXPMV-HNNXBMFYSA-N 2 1 283.460 2.121 20 0 CEADMP C[C@@H](C(=O)N(C)CC1([NH+](C)C)CCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000189518897 369531235 /nfs/dbraw/zinc/53/12/35/369531235.db2.gz NCXMTQDXPMAGGU-ZNMIVQPWSA-N 2 1 295.471 2.190 20 0 CEADMP Cc1cccc(C[C@@H](CO)[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000191612784 369726804 /nfs/dbraw/zinc/72/68/04/369726804.db2.gz ORXFJUJKDHFCLA-LAQRGFTBSA-N 2 1 290.451 2.217 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000352608828 369804695 /nfs/dbraw/zinc/80/46/95/369804695.db2.gz PAXHYCXFRBYZJM-PVAVHDDUSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCO1 ZINC000352608828 369804698 /nfs/dbraw/zinc/80/46/98/369804698.db2.gz PAXHYCXFRBYZJM-PVAVHDDUSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCO1 ZINC000352608828 369804700 /nfs/dbraw/zinc/80/47/00/369804700.db2.gz PAXHYCXFRBYZJM-PVAVHDDUSA-N 2 1 280.456 2.465 20 0 CEADMP CC[C@H](NC[C@@H]1CCC[N@@H+]1CCOC)c1ccc(F)cn1 ZINC000352683659 369836037 /nfs/dbraw/zinc/83/60/37/369836037.db2.gz LFXQYZNHYRCTBB-GJZGRUSLSA-N 2 1 295.402 2.372 20 0 CEADMP Cc1nn(C)cc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352540891 369778403 /nfs/dbraw/zinc/77/84/03/369778403.db2.gz QYFNBMFHJKRVNB-UHFFFAOYSA-N 2 1 264.417 2.070 20 0 CEADMP CC(C)(C)OC1CC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000352568060 369789003 /nfs/dbraw/zinc/78/90/03/369789003.db2.gz TWERWGPIBWFMNX-OPFPJEHXSA-N 2 1 266.429 2.406 20 0 CEADMP C[NH+](C)[C@@H](C[NH2+]CC1(C)COC1)C1CCCCC1 ZINC000352766772 369874280 /nfs/dbraw/zinc/87/42/80/369874280.db2.gz ALOCXZKXJQXXCC-AWEZNQCLSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[N@@H+]1CC[C@H](CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352835783 369903417 /nfs/dbraw/zinc/90/34/17/369903417.db2.gz YQLFJZFKFARNCS-CYBMUJFWSA-N 2 1 296.484 2.026 20 0 CEADMP CCC[N@H+]1CC[C@H](CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352835783 369903420 /nfs/dbraw/zinc/90/34/20/369903420.db2.gz YQLFJZFKFARNCS-CYBMUJFWSA-N 2 1 296.484 2.026 20 0 CEADMP Cc1c[nH]nc1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000352837283 369905085 /nfs/dbraw/zinc/90/50/85/369905085.db2.gz YWVGTMIVZMRPKQ-UHFFFAOYSA-N 2 1 258.369 2.070 20 0 CEADMP C=Cn1cc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000194317743 370025769 /nfs/dbraw/zinc/02/57/69/370025769.db2.gz CVMPTGSCWHOEHV-CQSZACIVSA-N 2 1 264.417 2.440 20 0 CEADMP C[N@@H+](CCO[C@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353153937 370043040 /nfs/dbraw/zinc/04/30/40/370043040.db2.gz LEENVFATPXIDOC-QXULXFAOSA-N 2 1 282.428 2.087 20 0 CEADMP C[NH+](CCO[C@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353153937 370043044 /nfs/dbraw/zinc/04/30/44/370043044.db2.gz LEENVFATPXIDOC-QXULXFAOSA-N 2 1 282.428 2.087 20 0 CEADMP C[NH+](CCO[C@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353153937 370043048 /nfs/dbraw/zinc/04/30/48/370043048.db2.gz LEENVFATPXIDOC-QXULXFAOSA-N 2 1 282.428 2.087 20 0 CEADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(O)CC1 ZINC000353497896 370114387 /nfs/dbraw/zinc/11/43/87/370114387.db2.gz POSMSXDWGUHEEY-QGBVMSHASA-N 2 1 268.445 2.246 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(O)CC1 ZINC000353497896 370114392 /nfs/dbraw/zinc/11/43/92/370114392.db2.gz POSMSXDWGUHEEY-QGBVMSHASA-N 2 1 268.445 2.246 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000353945162 370148359 /nfs/dbraw/zinc/14/83/59/370148359.db2.gz NXHZHVOGDMKXQR-GFCCVEGCSA-N 2 1 281.400 2.007 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353987330 370165015 /nfs/dbraw/zinc/16/50/15/370165015.db2.gz OTOLRDUTPUGZSU-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353987330 370165024 /nfs/dbraw/zinc/16/50/24/370165024.db2.gz OTOLRDUTPUGZSU-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353987330 370165027 /nfs/dbraw/zinc/16/50/27/370165027.db2.gz OTOLRDUTPUGZSU-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]CC1([NH+](C)C)CCCC1 ZINC000354167016 370240711 /nfs/dbraw/zinc/24/07/11/370240711.db2.gz VXQMPERHWOPFBR-UHFFFAOYSA-N 2 1 270.417 2.040 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CC=CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000354041001 370191577 /nfs/dbraw/zinc/19/15/77/370191577.db2.gz QFQVFYPYQPCXND-FGTMMUONSA-N 2 1 291.483 2.301 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000354264559 370286140 /nfs/dbraw/zinc/28/61/40/370286140.db2.gz FYQZDPRRTURLEA-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000354264559 370286149 /nfs/dbraw/zinc/28/61/49/370286149.db2.gz FYQZDPRRTURLEA-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000354264559 370286159 /nfs/dbraw/zinc/28/61/59/370286159.db2.gz FYQZDPRRTURLEA-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@](C)(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)OC ZINC000638181291 370361281 /nfs/dbraw/zinc/36/12/81/370361281.db2.gz YPELNLUNTUPTID-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CC1(C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]2CCCO[C@H]21 ZINC000227322204 370366761 /nfs/dbraw/zinc/36/67/61/370366761.db2.gz JFSSKDOJBJQBQS-IBEHDNSVSA-N 2 1 278.440 2.406 20 0 CEADMP CCc1cc(NCC[N@H+](C)[C@H](C)CC)nc(C)n1 ZINC000227865318 370386940 /nfs/dbraw/zinc/38/69/40/370386940.db2.gz FSLMJIWQEVMUSV-LLVKDONJSA-N 2 1 250.390 2.490 20 0 CEADMP CCc1cc(NCC[N@@H+](C)[C@H](C)CC)nc(C)[nH+]1 ZINC000227865318 370386942 /nfs/dbraw/zinc/38/69/42/370386942.db2.gz FSLMJIWQEVMUSV-LLVKDONJSA-N 2 1 250.390 2.490 20 0 CEADMP CCc1cc(NCC[N@H+](C)[C@H](C)CC)nc(C)[nH+]1 ZINC000227865318 370386947 /nfs/dbraw/zinc/38/69/47/370386947.db2.gz FSLMJIWQEVMUSV-LLVKDONJSA-N 2 1 250.390 2.490 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCSCC2)C1 ZINC000638134261 370327698 /nfs/dbraw/zinc/32/76/98/370327698.db2.gz NPGBKIFOWGRTAN-AWEZNQCLSA-N 2 1 256.459 2.403 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2CCSCC2)C1 ZINC000638134261 370327703 /nfs/dbraw/zinc/32/77/03/370327703.db2.gz NPGBKIFOWGRTAN-AWEZNQCLSA-N 2 1 256.459 2.403 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2CCSCC2)C1 ZINC000638134261 370327710 /nfs/dbraw/zinc/32/77/10/370327710.db2.gz NPGBKIFOWGRTAN-AWEZNQCLSA-N 2 1 256.459 2.403 20 0 CEADMP [NH3+]CC1(CC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCCCC1 ZINC000229400439 370425358 /nfs/dbraw/zinc/42/53/58/370425358.db2.gz ZQFGSSLSSDZWGE-GJZGRUSLSA-N 2 1 293.455 2.029 20 0 CEADMP CC(C)(C[NH2+]CCC[C@H]1CCO1)[NH+]1CCCCC1 ZINC000638291282 370427232 /nfs/dbraw/zinc/42/72/32/370427232.db2.gz NZLWKPWZVFNOFO-AWEZNQCLSA-N 2 1 254.418 2.410 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC(n2cccn2)C1 ZINC000638303574 370434206 /nfs/dbraw/zinc/43/42/06/370434206.db2.gz SWKIPQJHPSCGKZ-QQFBHYJXSA-N 2 1 276.428 2.441 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000638359780 370469426 /nfs/dbraw/zinc/46/94/26/370469426.db2.gz NCZHGQZWFRIYIF-KURKYZTESA-N 2 1 293.499 2.430 20 0 CEADMP CO[C@H](C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCOC1 ZINC000638366089 370475545 /nfs/dbraw/zinc/47/55/45/370475545.db2.gz KVIJAOXEGXHXNS-GVDBMIGSSA-N 2 1 298.471 2.140 20 0 CEADMP CCn1ncnc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000638367429 370476483 /nfs/dbraw/zinc/47/64/83/370476483.db2.gz VNTPSKVJVKXOLY-CQSZACIVSA-N 2 1 279.432 2.042 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CCCc1cnn(C)c1 ZINC000638412743 370510914 /nfs/dbraw/zinc/51/09/14/370510914.db2.gz KXTMDNCWNNGTAC-LSDHHAIUSA-N 2 1 278.444 2.063 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CCCc1cnn(C)c1 ZINC000638412743 370510917 /nfs/dbraw/zinc/51/09/17/370510917.db2.gz KXTMDNCWNNGTAC-LSDHHAIUSA-N 2 1 278.444 2.063 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000355122579 370511432 /nfs/dbraw/zinc/51/14/32/370511432.db2.gz MONXMZRVUKJOSV-IXDOHACOSA-N 2 1 298.471 2.282 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000355122579 370511436 /nfs/dbraw/zinc/51/14/36/370511436.db2.gz MONXMZRVUKJOSV-IXDOHACOSA-N 2 1 298.471 2.282 20 0 CEADMP CCOC1CC(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)C1 ZINC000638450806 370539773 /nfs/dbraw/zinc/53/97/73/370539773.db2.gz IADVSWMEWOOOMZ-WLYUNCDWSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000638451537 370541003 /nfs/dbraw/zinc/54/10/03/370541003.db2.gz PCBXIATXQXBZPL-GFCCVEGCSA-N 2 1 299.365 2.065 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000638451537 370541009 /nfs/dbraw/zinc/54/10/09/370541009.db2.gz PCBXIATXQXBZPL-GFCCVEGCSA-N 2 1 299.365 2.065 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H]2CCCC[NH+]2CC(C)C)C1 ZINC000358340909 371022521 /nfs/dbraw/zinc/02/25/21/371022521.db2.gz MYGASOZLDIMOMH-GVDBMIGSSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H]2CCCC[NH+]2CC(C)C)C1 ZINC000358340909 371022526 /nfs/dbraw/zinc/02/25/26/371022526.db2.gz MYGASOZLDIMOMH-GVDBMIGSSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000358340909 371022530 /nfs/dbraw/zinc/02/25/30/371022530.db2.gz MYGASOZLDIMOMH-GVDBMIGSSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000358340909 371022534 /nfs/dbraw/zinc/02/25/34/371022534.db2.gz MYGASOZLDIMOMH-GVDBMIGSSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C2Cc3ccccc3C2)[C@@H](C)C1 ZINC000246885917 371026075 /nfs/dbraw/zinc/02/60/75/371026075.db2.gz DPCHQGIQQQJUOB-SUMWQHHRSA-N 2 1 258.409 2.474 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cn(C)nc2C)C1 ZINC000246943793 371034261 /nfs/dbraw/zinc/03/42/61/371034261.db2.gz HTFLZWLOHUGRTR-OCCSQVGLSA-N 2 1 264.417 2.111 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cn(C)nc2C)C1 ZINC000246943793 371034264 /nfs/dbraw/zinc/03/42/64/371034264.db2.gz HTFLZWLOHUGRTR-OCCSQVGLSA-N 2 1 264.417 2.111 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)sn1 ZINC000639176443 371052229 /nfs/dbraw/zinc/05/22/29/371052229.db2.gz GTNRCPMFCCADME-LLVKDONJSA-N 2 1 262.382 2.175 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000639167553 371041401 /nfs/dbraw/zinc/04/14/01/371041401.db2.gz HYYKHTDOPAGUCI-MRXNPFEDSA-N 2 1 275.440 2.396 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)[C@@H](C)C1 ZINC000246999683 371043563 /nfs/dbraw/zinc/04/35/63/371043563.db2.gz KPKZZTMDQRSIFA-GOEBONIOSA-N 2 1 299.422 2.087 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)[C@@H](C)C1 ZINC000246999683 371043571 /nfs/dbraw/zinc/04/35/71/371043571.db2.gz KPKZZTMDQRSIFA-GOEBONIOSA-N 2 1 299.422 2.087 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2-n2ccnc2)[C@@H](C)C1 ZINC000246999699 371043979 /nfs/dbraw/zinc/04/39/79/371043979.db2.gz KPKZZTMDQRSIFA-HOCLYGCPSA-N 2 1 299.422 2.087 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2-n2ccnc2)[C@@H](C)C1 ZINC000246999699 371043982 /nfs/dbraw/zinc/04/39/82/371043982.db2.gz KPKZZTMDQRSIFA-HOCLYGCPSA-N 2 1 299.422 2.087 20 0 CEADMP Cc1cccc(NCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000358391379 371045894 /nfs/dbraw/zinc/04/58/94/371045894.db2.gz YEKKDQWVJIGKMS-HUUCEWRRSA-N 2 1 274.412 2.018 20 0 CEADMP CC[C@@H](C)[NH+](C)CC1(C[N@H+](C)[C@H](C)CC)COC1 ZINC000247051374 371056135 /nfs/dbraw/zinc/05/61/35/371056135.db2.gz VUJPOESNLZZFGF-ZIAGYGMSSA-N 2 1 256.434 2.464 20 0 CEADMP CC(=O)Nc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000639180255 371059703 /nfs/dbraw/zinc/05/97/03/371059703.db2.gz WBRTZCZMLOFKHF-DYVFJYSZSA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000639180255 371059706 /nfs/dbraw/zinc/05/97/06/371059706.db2.gz WBRTZCZMLOFKHF-DYVFJYSZSA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000639180255 371059709 /nfs/dbraw/zinc/05/97/09/371059709.db2.gz WBRTZCZMLOFKHF-DYVFJYSZSA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000639180255 371059712 /nfs/dbraw/zinc/05/97/12/371059712.db2.gz WBRTZCZMLOFKHF-DYVFJYSZSA-N 2 1 289.423 2.417 20 0 CEADMP CCOC1CC(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000639180859 371062265 /nfs/dbraw/zinc/06/22/65/371062265.db2.gz ZWUDASYEOQNACI-GYTBAZASSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC1CC(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000639180859 371062267 /nfs/dbraw/zinc/06/22/67/371062267.db2.gz ZWUDASYEOQNACI-GYTBAZASSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC1CC(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000639180859 371062269 /nfs/dbraw/zinc/06/22/69/371062269.db2.gz ZWUDASYEOQNACI-GYTBAZASSA-N 2 1 266.429 2.218 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000358552747 371113287 /nfs/dbraw/zinc/11/32/87/371113287.db2.gz APICMQUPHVCOCW-INIZCTEOSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)CC[N@@H+]1C ZINC000358648338 371155503 /nfs/dbraw/zinc/15/55/03/371155503.db2.gz IMSHFDABIWWQDA-JSGCOSHPSA-N 2 1 294.468 2.184 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)CC[N@H+]1C ZINC000358648338 371155506 /nfs/dbraw/zinc/15/55/06/371155506.db2.gz IMSHFDABIWWQDA-JSGCOSHPSA-N 2 1 294.468 2.184 20 0 CEADMP COc1cc(C[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccn1 ZINC000639257378 371156098 /nfs/dbraw/zinc/15/60/98/371156098.db2.gz MZISDMLQHOMRTG-LSDHHAIUSA-N 2 1 291.439 2.343 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]CC2CCSCC2)C1 ZINC000639256694 371156200 /nfs/dbraw/zinc/15/62/00/371156200.db2.gz DJILVHOPWPHHKL-CQSZACIVSA-N 2 1 256.459 2.451 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000248186227 371168913 /nfs/dbraw/zinc/16/89/13/371168913.db2.gz XKGMFBGSAOABOM-YOEHRIQHSA-N 2 1 288.435 2.484 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248202193 371170302 /nfs/dbraw/zinc/17/03/02/371170302.db2.gz ZBIBJRBZRSKJHE-KBPBESRZSA-N 2 1 256.434 2.390 20 0 CEADMP CC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248435269 371195364 /nfs/dbraw/zinc/19/53/64/371195364.db2.gz FMNDBIIGTHSYEW-CZUORRHYSA-N 2 1 262.397 2.141 20 0 CEADMP CC[C@@H](C(N)=O)[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000358740839 371200207 /nfs/dbraw/zinc/20/02/07/371200207.db2.gz WNRMKJMDLNVBDW-INIZCTEOSA-N 2 1 297.487 2.330 20 0 CEADMP CCC(CC)[N@@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000344024422 217014303 /nfs/dbraw/zinc/01/43/03/217014303.db2.gz IEXUMVSRYGIYII-UHFFFAOYSA-N 2 1 297.487 2.486 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)OC ZINC000639347014 371259623 /nfs/dbraw/zinc/25/96/23/371259623.db2.gz KQMAFTNJDFNGQO-ZNMIVQPWSA-N 2 1 256.434 2.369 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)OC ZINC000639347012 371260088 /nfs/dbraw/zinc/26/00/88/371260088.db2.gz KQMAFTNJDFNGQO-RRFJBIMHSA-N 2 1 256.434 2.369 20 0 CEADMP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CC1 ZINC000639338758 371249797 /nfs/dbraw/zinc/24/97/97/371249797.db2.gz VQCKNCQDQWGAHS-HOCLYGCPSA-N 2 1 266.429 2.123 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CCO)C1CCCCC1 ZINC000248855432 371256698 /nfs/dbraw/zinc/25/66/98/371256698.db2.gz CUHZRWTYIKQDQE-HZPDHXFCSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000249408048 371320562 /nfs/dbraw/zinc/32/05/62/371320562.db2.gz CPLGRBNUQRFFFO-SZMVWBNQSA-N 2 1 288.435 2.354 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639506233 371369104 /nfs/dbraw/zinc/36/91/04/371369104.db2.gz JGSVBXZACRBBTN-CABCVRRESA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639506233 371369107 /nfs/dbraw/zinc/36/91/07/371369107.db2.gz JGSVBXZACRBBTN-CABCVRRESA-N 2 1 268.445 2.465 20 0 CEADMP CC1(C)CO[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000639494677 371360575 /nfs/dbraw/zinc/36/05/75/371360575.db2.gz KFLNUFXBJQNGJQ-HUUCEWRRSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1nc(-c2ccccc2)oc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000639457517 371335768 /nfs/dbraw/zinc/33/57/68/371335768.db2.gz ULTHRFPCDXTUMJ-GJZGRUSLSA-N 2 1 283.375 2.301 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCO[C@H]2C)CC1 ZINC000639474427 371348193 /nfs/dbraw/zinc/34/81/93/371348193.db2.gz UDHQWDQLEYAUIA-HOCLYGCPSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@H]1C[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000639502747 371367856 /nfs/dbraw/zinc/36/78/56/371367856.db2.gz HVEAZQGSEUGAQM-JZXOWHBKSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H]1C[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000639502747 371367860 /nfs/dbraw/zinc/36/78/60/371367860.db2.gz HVEAZQGSEUGAQM-JZXOWHBKSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H]1C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000639502747 371367866 /nfs/dbraw/zinc/36/78/66/371367866.db2.gz HVEAZQGSEUGAQM-JZXOWHBKSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H]1C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000639502747 371367867 /nfs/dbraw/zinc/36/78/67/371367867.db2.gz HVEAZQGSEUGAQM-JZXOWHBKSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000639544338 371395795 /nfs/dbraw/zinc/39/57/95/371395795.db2.gz WILWHAPUMJLYER-QSJFSLAZSA-N 2 1 278.440 2.360 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000639544338 371395797 /nfs/dbraw/zinc/39/57/97/371395797.db2.gz WILWHAPUMJLYER-QSJFSLAZSA-N 2 1 278.440 2.360 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000639544338 371395799 /nfs/dbraw/zinc/39/57/99/371395799.db2.gz WILWHAPUMJLYER-QSJFSLAZSA-N 2 1 278.440 2.360 20 0 CEADMP CCC[N@@H+](C)CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000359275659 371405498 /nfs/dbraw/zinc/40/54/98/371405498.db2.gz QBLUACKXWJXYGC-UHFFFAOYSA-N 2 1 277.412 2.071 20 0 CEADMP C[C@@H]1CCC[C@H]([N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000251644448 371409463 /nfs/dbraw/zinc/40/94/63/371409463.db2.gz FHKXNAWKLAKIFJ-UBDQQSCGSA-N 2 1 290.451 2.428 20 0 CEADMP C[C@@H]1CCC[C@H]([N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000251644448 371409468 /nfs/dbraw/zinc/40/94/68/371409468.db2.gz FHKXNAWKLAKIFJ-UBDQQSCGSA-N 2 1 290.451 2.428 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000251824441 371416694 /nfs/dbraw/zinc/41/66/94/371416694.db2.gz PMKNXXGDSSJGRR-NJAFHUGGSA-N 2 1 290.451 2.429 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639506233 371369112 /nfs/dbraw/zinc/36/91/12/371369112.db2.gz JGSVBXZACRBBTN-CABCVRRESA-N 2 1 268.445 2.465 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000359209450 371377283 /nfs/dbraw/zinc/37/72/83/371377283.db2.gz KMVBGFNKQBTIBC-QGZVFWFLSA-N 3 1 279.472 2.326 20 0 CEADMP c1n[nH]cc1[C@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359218624 371379689 /nfs/dbraw/zinc/37/96/89/371379689.db2.gz TWBOEVIMSCPUOB-OAHLLOKOSA-N 2 1 262.401 2.326 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250227706 371380878 /nfs/dbraw/zinc/38/08/78/371380878.db2.gz FSMYBGPBTKKDCO-QBPKDAKJSA-N 3 1 279.472 2.229 20 0 CEADMP CC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250227706 371380884 /nfs/dbraw/zinc/38/08/84/371380884.db2.gz FSMYBGPBTKKDCO-QBPKDAKJSA-N 2 1 279.472 2.229 20 0 CEADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250227706 371380886 /nfs/dbraw/zinc/38/08/86/371380886.db2.gz FSMYBGPBTKKDCO-QBPKDAKJSA-N 2 1 279.472 2.229 20 0 CEADMP CC(C)CC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252564618 371456491 /nfs/dbraw/zinc/45/64/91/371456491.db2.gz YDJGSABANQEUOU-KKUMJFAQSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)CC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252564618 371456494 /nfs/dbraw/zinc/45/64/94/371456494.db2.gz YDJGSABANQEUOU-KKUMJFAQSA-N 2 1 254.418 2.264 20 0 CEADMP Clc1ccc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000252668622 371464926 /nfs/dbraw/zinc/46/49/26/371464926.db2.gz YPUSRCXLOLSKMY-WDEREUQCSA-N 2 1 286.828 2.354 20 0 CEADMP Cc1noc([C@@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639681891 371491060 /nfs/dbraw/zinc/49/10/60/371491060.db2.gz HGRQAQSYMRZBPG-GFCCVEGCSA-N 2 1 287.367 2.046 20 0 CEADMP Cc1noc([C@@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639681891 371491064 /nfs/dbraw/zinc/49/10/64/371491064.db2.gz HGRQAQSYMRZBPG-GFCCVEGCSA-N 2 1 287.367 2.046 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000252711046 371471524 /nfs/dbraw/zinc/47/15/24/371471524.db2.gz IJOMJBMTGKDSQX-FMKPAKJESA-N 2 1 274.408 2.483 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000252772255 371477184 /nfs/dbraw/zinc/47/71/84/371477184.db2.gz IUOPRKICFVYIPZ-QWHCGFSZSA-N 2 1 278.396 2.181 20 0 CEADMP Cc1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)nc(C)n1 ZINC000639682871 371491942 /nfs/dbraw/zinc/49/19/42/371491942.db2.gz BTSNBOJTYDFRKA-UHFFFAOYSA-N 2 1 297.406 2.201 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1CCc2sccc2C1 ZINC000360242927 371509142 /nfs/dbraw/zinc/50/91/42/371509142.db2.gz SCZZZTPXUOZPKG-UKRRQHHQSA-N 2 1 293.480 2.036 20 0 CEADMP C[C@@H](C(=O)N(C)C[C@H]1CCC[NH+](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000360413078 371514849 /nfs/dbraw/zinc/51/48/49/371514849.db2.gz WPCRSYDBYDTXDQ-FZKCQIBNSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000360413078 371514853 /nfs/dbraw/zinc/51/48/53/371514853.db2.gz WPCRSYDBYDTXDQ-FZKCQIBNSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000360413078 371514855 /nfs/dbraw/zinc/51/48/55/371514855.db2.gz WPCRSYDBYDTXDQ-FZKCQIBNSA-N 2 1 295.471 2.048 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000360838960 371536927 /nfs/dbraw/zinc/53/69/27/371536927.db2.gz FMEDHTFYCAIKOB-CZUORRHYSA-N 2 1 276.424 2.311 20 0 CEADMP CC(C)OC1CC([N@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC000639755815 371546794 /nfs/dbraw/zinc/54/67/94/371546794.db2.gz NSWVSHWZQGVAQM-UHFFFAOYSA-N 2 1 266.429 2.360 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cn1 ZINC000639756141 371546893 /nfs/dbraw/zinc/54/68/93/371546893.db2.gz QPUXDQWQAVRCOX-UHFFFAOYSA-N 2 1 259.397 2.308 20 0 CEADMP COCC1(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)CCC1 ZINC000639756233 371547255 /nfs/dbraw/zinc/54/72/55/371547255.db2.gz RXZFVLXKOFBRKA-UHFFFAOYSA-N 2 1 266.429 2.221 20 0 CEADMP CCc1cccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639762132 371551338 /nfs/dbraw/zinc/55/13/38/371551338.db2.gz GNZYSVBOJBLVNP-QGZVFWFLSA-N 2 1 276.424 2.138 20 0 CEADMP CCc1cccc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639762132 371551343 /nfs/dbraw/zinc/55/13/43/371551343.db2.gz GNZYSVBOJBLVNP-QGZVFWFLSA-N 2 1 276.424 2.138 20 0 CEADMP c1cn([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)CC2)nn1 ZINC000639818489 371594750 /nfs/dbraw/zinc/59/47/50/371594750.db2.gz QWMLSZCHRAKIDJ-INIZCTEOSA-N 2 1 291.443 2.181 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000261588135 371664706 /nfs/dbraw/zinc/66/47/06/371664706.db2.gz JYCVCSRJCMPGOQ-ZFWWWQNUSA-N 3 1 264.417 2.092 20 0 CEADMP COc1cccc([C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261593697 371668313 /nfs/dbraw/zinc/66/83/13/371668313.db2.gz NBXIIFPMZLTQPN-NWANDNLSSA-N 2 1 260.381 2.298 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000261538964 371639518 /nfs/dbraw/zinc/63/95/18/371639518.db2.gz BFQBXSCFWLPEHR-RDGPPVDQSA-N 2 1 299.462 2.239 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000261565138 371650764 /nfs/dbraw/zinc/65/07/64/371650764.db2.gz HQRGYWMDTKGSCH-AWEZNQCLSA-N 2 1 268.788 2.390 20 0 CEADMP COc1ccc(CC[NH2+][C@@](C)(C[NH3+])C(C)C)cc1 ZINC000261569253 371653262 /nfs/dbraw/zinc/65/32/62/371653262.db2.gz JSUJVUWUOQLOMJ-HNNXBMFYSA-N 2 1 250.386 2.201 20 0 CEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cncc(Br)c1 ZINC000261584808 371662093 /nfs/dbraw/zinc/66/20/93/371662093.db2.gz QAQKALDCWJUOHK-GFCCVEGCSA-N 2 1 286.217 2.307 20 0 CEADMP CCCCOC[C@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983404 371711558 /nfs/dbraw/zinc/71/15/58/371711558.db2.gz GSRAZUXBXYRLIV-MRXNPFEDSA-N 2 1 298.471 2.114 20 0 CEADMP Cn1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c(-c2cccs2)n1 ZINC000261751630 371719395 /nfs/dbraw/zinc/71/93/95/371719395.db2.gz LELXRJMZGFZQGV-OAHLLOKOSA-N 2 1 290.436 2.319 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(-c2cccs2)n1 ZINC000261751630 371719399 /nfs/dbraw/zinc/71/93/99/371719399.db2.gz LELXRJMZGFZQGV-OAHLLOKOSA-N 2 1 290.436 2.319 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261811051 371740285 /nfs/dbraw/zinc/74/02/85/371740285.db2.gz WWQAVEROBIIADG-QLFBSQMISA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261780704 371729708 /nfs/dbraw/zinc/72/97/08/371729708.db2.gz WUZYVNMKGOHTCO-JSGCOSHPSA-N 2 1 295.377 2.005 20 0 CEADMP c1cnc2c(c1)cccc2C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261785324 371731556 /nfs/dbraw/zinc/73/15/56/371731556.db2.gz PYGYQDAOCUMWNM-GDBMZVCRSA-N 2 1 267.376 2.419 20 0 CEADMP c1cnc2c(c1)cccc2C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261785327 371732144 /nfs/dbraw/zinc/73/21/44/371732144.db2.gz PYGYQDAOCUMWNM-ZBFHGGJFSA-N 2 1 267.376 2.419 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccnn1-c1ccc(F)cc1 ZINC000261799925 371736073 /nfs/dbraw/zinc/73/60/73/371736073.db2.gz GXFBWFOSFJVBIZ-OLZOCXBDSA-N 2 1 288.370 2.181 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccnn1-c1ccc(F)cc1 ZINC000261799925 371736076 /nfs/dbraw/zinc/73/60/76/371736076.db2.gz GXFBWFOSFJVBIZ-OLZOCXBDSA-N 2 1 288.370 2.181 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](CCOC2CCC2)CC1 ZINC000640015784 371736661 /nfs/dbraw/zinc/73/66/61/371736661.db2.gz NKDGGZIHVCABSR-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP FC(F)c1cccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000261619882 371682091 /nfs/dbraw/zinc/68/20/91/371682091.db2.gz GGKQSRWPPYLPSJ-HNNXBMFYSA-N 2 1 295.377 2.104 20 0 CEADMP FC(F)Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261641978 371688546 /nfs/dbraw/zinc/68/85/46/371688546.db2.gz CKPNGZTZRQRXKR-OCCSQVGLSA-N 2 1 282.334 2.472 20 0 CEADMP FC(F)Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261641978 371688556 /nfs/dbraw/zinc/68/85/56/371688556.db2.gz CKPNGZTZRQRXKR-OCCSQVGLSA-N 2 1 282.334 2.472 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1(C)CC1 ZINC000361175132 371698841 /nfs/dbraw/zinc/69/88/41/371698841.db2.gz LGNKGXCXPDRHQC-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@H](CC(F)(F)F)[C@@H]1C ZINC000640026125 371743095 /nfs/dbraw/zinc/74/30/95/371743095.db2.gz YDZZNEQZTZVXMP-XQHKEYJVSA-N 2 1 296.377 2.350 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@H](CC(F)(F)F)[C@@H]1C ZINC000640026125 371743103 /nfs/dbraw/zinc/74/31/03/371743103.db2.gz YDZZNEQZTZVXMP-XQHKEYJVSA-N 2 1 296.377 2.350 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)C[C@H](CC(F)(F)F)[C@@H]1C ZINC000640026125 371743109 /nfs/dbraw/zinc/74/31/09/371743109.db2.gz YDZZNEQZTZVXMP-XQHKEYJVSA-N 2 1 296.377 2.350 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)C[C@H](CC(F)(F)F)[C@@H]1C ZINC000640026125 371743117 /nfs/dbraw/zinc/74/31/17/371743117.db2.gz YDZZNEQZTZVXMP-XQHKEYJVSA-N 2 1 296.377 2.350 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261829473 371743371 /nfs/dbraw/zinc/74/33/71/371743371.db2.gz IXNUNVRPDRYLOW-TZMCWYRMSA-N 2 1 262.397 2.427 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)COC(C)C ZINC000337345402 214021247 /nfs/dbraw/zinc/02/12/47/214021247.db2.gz UYXMHXWSHGEYIE-ZDUSSCGKSA-N 2 1 253.390 2.375 20 0 CEADMP CC[C@@]1(O)CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000640031489 371754796 /nfs/dbraw/zinc/75/47/96/371754796.db2.gz TZRNNUWEMHOUIO-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000353328852 220029527 /nfs/dbraw/zinc/02/95/27/220029527.db2.gz QMMPTSCMEMSFSL-HOCLYGCPSA-N 2 1 295.471 2.286 20 0 CEADMP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000261989287 371792233 /nfs/dbraw/zinc/79/22/33/371792233.db2.gz KCFAMJGUCKVQMO-QGZVFWFLSA-N 2 1 288.439 2.112 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000261989287 371792246 /nfs/dbraw/zinc/79/22/46/371792246.db2.gz KCFAMJGUCKVQMO-QGZVFWFLSA-N 2 1 288.439 2.112 20 0 CEADMP Cc1ccnc(OC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000261909184 371769327 /nfs/dbraw/zinc/76/93/27/371769327.db2.gz XUKPNUQDDGXUGL-QGZVFWFLSA-N 2 1 289.423 2.233 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000261930488 371775677 /nfs/dbraw/zinc/77/56/77/371775677.db2.gz LLUGEZXMBDZSEG-LBPRGKRZSA-N 2 1 290.436 2.190 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)COC(C)C ZINC000337324498 214009150 /nfs/dbraw/zinc/00/91/50/214009150.db2.gz BEQZNRLAZWBOPZ-CHWSQXEVSA-N 2 1 253.390 2.231 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)C2(C(=O)OC)CCC2)C1 ZINC000353338035 220033487 /nfs/dbraw/zinc/03/34/87/220033487.db2.gz REPCHSCJVRJOLX-CABCVRRESA-N 2 1 296.455 2.430 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000261821146 371742571 /nfs/dbraw/zinc/74/25/71/371742571.db2.gz IHWHLOLFPJIRKX-NSHDSACASA-N 2 1 265.426 2.452 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000261821146 371742572 /nfs/dbraw/zinc/74/25/72/371742572.db2.gz IHWHLOLFPJIRKX-NSHDSACASA-N 2 1 265.426 2.452 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000262002245 371797945 /nfs/dbraw/zinc/79/79/45/371797945.db2.gz UEIVVECOCIKBGU-OLZOCXBDSA-N 2 1 288.370 2.181 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000262002245 371797954 /nfs/dbraw/zinc/79/79/54/371797954.db2.gz UEIVVECOCIKBGU-OLZOCXBDSA-N 2 1 288.370 2.181 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262025204 371803760 /nfs/dbraw/zinc/80/37/60/371803760.db2.gz NLMBMLUOWXJVGM-SFHVURJKSA-N 2 1 296.418 2.366 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262025204 371803767 /nfs/dbraw/zinc/80/37/67/371803767.db2.gz NLMBMLUOWXJVGM-SFHVURJKSA-N 2 1 296.418 2.366 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000262054181 371812859 /nfs/dbraw/zinc/81/28/59/371812859.db2.gz ZZSABUUBICEYGD-OAHLLOKOSA-N 2 1 298.434 2.437 20 0 CEADMP O[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@H]2CCCC[C@H]12 ZINC000640102840 371815675 /nfs/dbraw/zinc/81/56/75/371815675.db2.gz VDFLKQGGXWGAEU-YESZJQIVSA-N 2 1 280.456 2.488 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262384473 371857870 /nfs/dbraw/zinc/85/78/70/371857870.db2.gz LWLCSGHNQYMYQX-KKUMJFAQSA-N 2 1 295.471 2.001 20 0 CEADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000361478784 371866064 /nfs/dbraw/zinc/86/60/64/371866064.db2.gz OYNFUQBOKGISPB-ILXRZTDVSA-N 2 1 291.464 2.410 20 0 CEADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000361478784 371866070 /nfs/dbraw/zinc/86/60/70/371866070.db2.gz OYNFUQBOKGISPB-ILXRZTDVSA-N 2 1 291.464 2.410 20 0 CEADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000361478784 371866078 /nfs/dbraw/zinc/86/60/78/371866078.db2.gz OYNFUQBOKGISPB-ILXRZTDVSA-N 2 1 291.464 2.410 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCCCCC[NH3+])[C@H](C)C1 ZINC000262651359 371891546 /nfs/dbraw/zinc/89/15/46/371891546.db2.gz ABEQRXYVKPDEQR-HUUCEWRRSA-N 2 1 283.460 2.084 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000361517813 371892370 /nfs/dbraw/zinc/89/23/70/371892370.db2.gz FXFWVMZQWYOZRD-GDBMZVCRSA-N 2 1 261.413 2.418 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](n2cccn2)C1 ZINC000361591262 371959179 /nfs/dbraw/zinc/95/91/79/371959179.db2.gz MEWVNMNDHHPLKY-CABCVRRESA-N 2 1 262.401 2.004 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000361591262 371959185 /nfs/dbraw/zinc/95/91/85/371959185.db2.gz MEWVNMNDHHPLKY-CABCVRRESA-N 2 1 262.401 2.004 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](n2cccn2)C1 ZINC000361591262 371959192 /nfs/dbraw/zinc/95/91/92/371959192.db2.gz MEWVNMNDHHPLKY-CABCVRRESA-N 2 1 262.401 2.004 20 0 CEADMP Cc1cc(N2CCN(C(C)C)CC2)nc(C2CC2)n1 ZINC000264605665 371999436 /nfs/dbraw/zinc/99/94/36/371999436.db2.gz DCODIVTYRMWKOU-UHFFFAOYSA-N 2 1 260.385 2.193 20 0 CEADMP C[NH+]1CCC[C@@H]2CN(CC[C@H]3CCCC[N@@H+]3C)CC[C@@H]21 ZINC000361685075 372023735 /nfs/dbraw/zinc/02/37/35/372023735.db2.gz BZFLYNAOEPDRNU-ZACQAIPSSA-N 2 1 279.472 2.277 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000361685075 372023738 /nfs/dbraw/zinc/02/37/38/372023738.db2.gz BZFLYNAOEPDRNU-ZACQAIPSSA-N 2 1 279.472 2.277 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000361685075 372023746 /nfs/dbraw/zinc/02/37/46/372023746.db2.gz BZFLYNAOEPDRNU-ZACQAIPSSA-N 2 1 279.472 2.277 20 0 CEADMP CCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361888464 372115945 /nfs/dbraw/zinc/11/59/45/372115945.db2.gz JNAAEGVZVXJTCM-WBVHZDCISA-N 2 1 276.424 2.402 20 0 CEADMP CCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361888464 372115957 /nfs/dbraw/zinc/11/59/57/372115957.db2.gz JNAAEGVZVXJTCM-WBVHZDCISA-N 2 1 276.424 2.402 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000361807463 372079622 /nfs/dbraw/zinc/07/96/22/372079622.db2.gz YXQGVMYTZZXUAV-CHWSQXEVSA-N 2 1 270.417 2.181 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2cn3cc(C)ccc3n2)[C@H](C)C1 ZINC000268823474 372242350 /nfs/dbraw/zinc/24/23/50/372242350.db2.gz APRLBDFOMVUXLG-GDBMZVCRSA-N 2 1 286.423 2.463 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000268847408 372253879 /nfs/dbraw/zinc/25/38/79/372253879.db2.gz XFALLGCFWBDKLI-GFCCVEGCSA-N 2 1 287.363 2.314 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000268888857 372273119 /nfs/dbraw/zinc/27/31/19/372273119.db2.gz UDVSSYNANZJHAY-UHFFFAOYSA-N 2 1 299.422 2.235 20 0 CEADMP CC[N@@H+]1C[C@H](NCC[C@@H](C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000344355776 217166770 /nfs/dbraw/zinc/16/67/70/217166770.db2.gz UGSXTSCQSONXTL-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1cc(C)c(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)c(C)[nH+]1 ZINC000641187293 372379823 /nfs/dbraw/zinc/37/98/23/372379823.db2.gz IXKZTMXZPAYMJK-HNNXBMFYSA-N 2 1 299.422 2.189 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)C(C)C ZINC000363788104 372647894 /nfs/dbraw/zinc/64/78/94/372647894.db2.gz WELWMVRMKRNSRF-VQHPVUNQSA-N 2 1 298.471 2.136 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)C(C)C ZINC000363788104 372647898 /nfs/dbraw/zinc/64/78/98/372647898.db2.gz WELWMVRMKRNSRF-VQHPVUNQSA-N 2 1 298.471 2.136 20 0 CEADMP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353387732 220059072 /nfs/dbraw/zinc/05/90/72/220059072.db2.gz OVWJDCYAWDGZFL-XLNGHYISSA-N 2 1 290.455 2.290 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353387732 220059075 /nfs/dbraw/zinc/05/90/75/220059075.db2.gz OVWJDCYAWDGZFL-XLNGHYISSA-N 3 1 290.455 2.290 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353387732 220059077 /nfs/dbraw/zinc/05/90/77/220059077.db2.gz OVWJDCYAWDGZFL-XLNGHYISSA-N 3 1 290.455 2.290 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C/C=C\c1ccccc1 ZINC000641771415 372714145 /nfs/dbraw/zinc/71/41/45/372714145.db2.gz HUEQNECPYXPHRV-NLZINVLXSA-N 2 1 276.424 2.382 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000641799355 372739372 /nfs/dbraw/zinc/73/93/72/372739372.db2.gz VJIYKYQGPAGBSS-IHRRRGAJSA-N 2 1 277.412 2.495 20 0 CEADMP [NH3+]CCC[N@@H+](Cc1ccns1)CC1CCCC1 ZINC000641797401 372738136 /nfs/dbraw/zinc/73/81/36/372738136.db2.gz BOGMGUKOTZJSBZ-UHFFFAOYSA-N 2 1 253.415 2.484 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccns1)CC1CCCC1 ZINC000641797401 372738143 /nfs/dbraw/zinc/73/81/43/372738143.db2.gz BOGMGUKOTZJSBZ-UHFFFAOYSA-N 2 1 253.415 2.484 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])o1 ZINC000641821679 372767437 /nfs/dbraw/zinc/76/74/37/372767437.db2.gz OJENAFTZPMFEON-WCQYABFASA-N 2 1 265.401 2.495 20 0 CEADMP CC[C@](C)(O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000364643675 372781827 /nfs/dbraw/zinc/78/18/27/372781827.db2.gz WRGYHHCQYFCIQW-HIFRSBDPSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000364643675 372781838 /nfs/dbraw/zinc/78/18/38/372781838.db2.gz WRGYHHCQYFCIQW-HIFRSBDPSA-N 2 1 254.418 2.096 20 0 CEADMP C[N@@H+](Cc1cccs1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365273518 372816234 /nfs/dbraw/zinc/81/62/34/372816234.db2.gz KNFOWECFVPPZFE-HNNXBMFYSA-N 2 1 293.480 2.348 20 0 CEADMP COCCSCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000365345019 372832615 /nfs/dbraw/zinc/83/26/15/372832615.db2.gz QCFACBCCIJTOOX-HNNXBMFYSA-N 2 1 286.485 2.174 20 0 CEADMP CC(C)[NH2+]CCN1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000365324595 372829354 /nfs/dbraw/zinc/82/93/54/372829354.db2.gz OPMGNNUCBKAFAL-UHFFFAOYSA-N 2 1 293.430 2.331 20 0 CEADMP Cc1nc([C@@H]2CCCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)no1 ZINC000643057192 372939099 /nfs/dbraw/zinc/93/90/99/372939099.db2.gz XXJWSIJVEHYOCS-KBPBESRZSA-N 2 1 278.400 2.295 20 0 CEADMP Cc1nc([C@@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)no1 ZINC000643057192 372939104 /nfs/dbraw/zinc/93/91/04/372939104.db2.gz XXJWSIJVEHYOCS-KBPBESRZSA-N 2 1 278.400 2.295 20 0 CEADMP CCCCCCNC(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000270966579 373037776 /nfs/dbraw/zinc/03/77/76/373037776.db2.gz BJWCXBVESWWRLM-UHFFFAOYSA-N 2 1 294.443 2.210 20 0 CEADMP CCCCCCNC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000270966579 373037786 /nfs/dbraw/zinc/03/77/86/373037786.db2.gz BJWCXBVESWWRLM-UHFFFAOYSA-N 2 1 294.443 2.210 20 0 CEADMP Cc1cnn(CCCCC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000366445443 373050741 /nfs/dbraw/zinc/05/07/41/373050741.db2.gz WZEXRJQTJFWAKG-QGZVFWFLSA-N 2 1 290.455 2.389 20 0 CEADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CCO ZINC000271033481 373082269 /nfs/dbraw/zinc/08/22/69/373082269.db2.gz ZXNDWZBQDMIGSN-UHFFFAOYSA-N 2 1 264.413 2.069 20 0 CEADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CCO ZINC000271033481 373082277 /nfs/dbraw/zinc/08/22/77/373082277.db2.gz ZXNDWZBQDMIGSN-UHFFFAOYSA-N 2 1 264.413 2.069 20 0 CEADMP C[NH+](CCO)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000271033481 373082282 /nfs/dbraw/zinc/08/22/82/373082282.db2.gz ZXNDWZBQDMIGSN-UHFFFAOYSA-N 2 1 264.413 2.069 20 0 CEADMP C[NH+](CCO)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000271033481 373082292 /nfs/dbraw/zinc/08/22/92/373082292.db2.gz ZXNDWZBQDMIGSN-UHFFFAOYSA-N 2 1 264.413 2.069 20 0 CEADMP COc1ncccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353552121 220152869 /nfs/dbraw/zinc/15/28/69/220152869.db2.gz XERURUYUMOJOCB-XHSDSOJGSA-N 2 1 289.423 2.095 20 0 CEADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](O)C1 ZINC000271079647 373107065 /nfs/dbraw/zinc/10/70/65/373107065.db2.gz IJGOQLOCQOXUPW-INIZCTEOSA-N 2 1 276.424 2.211 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](O)C1 ZINC000271079647 373107069 /nfs/dbraw/zinc/10/70/69/373107069.db2.gz IJGOQLOCQOXUPW-INIZCTEOSA-N 2 1 276.424 2.211 20 0 CEADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](O)C1 ZINC000271079647 373107074 /nfs/dbraw/zinc/10/70/74/373107074.db2.gz IJGOQLOCQOXUPW-INIZCTEOSA-N 2 1 276.424 2.211 20 0 CEADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](O)C1 ZINC000271079647 373107077 /nfs/dbraw/zinc/10/70/77/373107077.db2.gz IJGOQLOCQOXUPW-INIZCTEOSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C1CC[NH+](C)CC1 ZINC000643511287 373171915 /nfs/dbraw/zinc/17/19/15/373171915.db2.gz PGVNBXDYEIMWQS-XJKSGUPXSA-N 3 1 267.461 2.214 20 0 CEADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367631804 373167419 /nfs/dbraw/zinc/16/74/19/373167419.db2.gz FOWQATDRXLYKQW-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367631804 373167427 /nfs/dbraw/zinc/16/74/27/373167427.db2.gz FOWQATDRXLYKQW-BZUAXINKSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367631804 373167433 /nfs/dbraw/zinc/16/74/33/373167433.db2.gz FOWQATDRXLYKQW-BZUAXINKSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000366769701 373121971 /nfs/dbraw/zinc/12/19/71/373121971.db2.gz HRYRRSBHHABWEV-UGUYLWEFSA-N 2 1 298.496 2.219 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000643455603 373125943 /nfs/dbraw/zinc/12/59/43/373125943.db2.gz CKIOGHIDROYNLA-STQMWFEESA-N 2 1 262.353 2.165 20 0 CEADMP CCC1(O)CCC([NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000643474269 373142952 /nfs/dbraw/zinc/14/29/52/373142952.db2.gz ZOIPIKWIGOAZIP-BZUNDVKYSA-N 2 1 263.385 2.228 20 0 CEADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2Br ZINC000643527783 373185601 /nfs/dbraw/zinc/18/56/01/373185601.db2.gz SOUCQWUFTSZPCO-PELKAZGASA-N 2 1 269.186 2.373 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1OC ZINC000643528706 373187417 /nfs/dbraw/zinc/18/74/17/373187417.db2.gz NIMOYFDKXSPFSH-MNOVXSKESA-N 2 1 252.358 2.010 20 0 CEADMP Cc1ccncc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000271358833 373189294 /nfs/dbraw/zinc/18/92/94/373189294.db2.gz FDWADISYOBCWCV-HZPDHXFCSA-N 2 1 291.439 2.278 20 0 CEADMP CC(C)Cc1noc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)n1 ZINC000643895288 373298699 /nfs/dbraw/zinc/29/86/99/373298699.db2.gz OILSTLWVMFGVQG-ZDUSSCGKSA-N 2 1 292.427 2.232 20 0 CEADMP CC(C)COCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369518249 373441100 /nfs/dbraw/zinc/44/11/00/373441100.db2.gz OFIWFHIJAJJVLN-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CC(C)COCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369518249 373441108 /nfs/dbraw/zinc/44/11/08/373441108.db2.gz OFIWFHIJAJJVLN-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP FC(F)(F)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000369583681 373461643 /nfs/dbraw/zinc/46/16/43/373461643.db2.gz JOJOBWRIAAHSIO-NSHDSACASA-N 2 1 250.308 2.357 20 0 CEADMP FC(F)(F)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000369583681 373461650 /nfs/dbraw/zinc/46/16/50/373461650.db2.gz JOJOBWRIAAHSIO-NSHDSACASA-N 2 1 250.308 2.357 20 0 CEADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000345044069 217394032 /nfs/dbraw/zinc/39/40/32/217394032.db2.gz LXFJXNBZBAEWMC-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](C[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)C[NH+](C)C ZINC000644555361 373530629 /nfs/dbraw/zinc/53/06/29/373530629.db2.gz ZQAUIZMUFIPXGQ-GHMZBOCLSA-N 2 1 277.368 2.382 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CC[C@H]4OCC[C@H]4C3)n21 ZINC000369683706 373488077 /nfs/dbraw/zinc/48/80/77/373488077.db2.gz OEEREHBJBFTLTD-DZGCQCFKSA-N 2 1 271.364 2.254 20 0 CEADMP Cc1cccc2ncc(CN3CC[C@H]4OCC[C@H]4C3)n21 ZINC000369683706 373488086 /nfs/dbraw/zinc/48/80/86/373488086.db2.gz OEEREHBJBFTLTD-DZGCQCFKSA-N 2 1 271.364 2.254 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000644664462 373593514 /nfs/dbraw/zinc/59/35/14/373593514.db2.gz ZQOWDZKMTZDIET-BZSNNMDCSA-N 2 1 288.435 2.115 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000644664462 373593521 /nfs/dbraw/zinc/59/35/21/373593521.db2.gz ZQOWDZKMTZDIET-BZSNNMDCSA-N 2 1 288.435 2.115 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000272536897 373539574 /nfs/dbraw/zinc/53/95/74/373539574.db2.gz PMPLLSPQURLIQG-LBPRGKRZSA-N 2 1 281.400 2.292 20 0 CEADMP C[C@@H](O)C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000644607303 373555688 /nfs/dbraw/zinc/55/56/88/373555688.db2.gz DZQVMFAEZSAJBO-UXLLHSPISA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H](NCCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272586213 373564434 /nfs/dbraw/zinc/56/44/34/373564434.db2.gz WUFBWTMLDWPKNK-WMZOPIPTSA-N 2 1 289.467 2.438 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272586213 373564442 /nfs/dbraw/zinc/56/44/42/373564442.db2.gz WUFBWTMLDWPKNK-WMZOPIPTSA-N 3 1 289.467 2.438 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272586213 373564446 /nfs/dbraw/zinc/56/44/46/373564446.db2.gz WUFBWTMLDWPKNK-WMZOPIPTSA-N 3 1 289.467 2.438 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(NCC[NH+]2CCCCCC2)n1 ZINC000370609306 373695545 /nfs/dbraw/zinc/69/55/45/373695545.db2.gz XLPGSTQDFCKRDG-UHFFFAOYSA-N 2 1 299.422 2.286 20 0 CEADMP Cc1cccc(NC2CC[NH+](CCn3ccnc3)CC2)[nH+]1 ZINC000371204222 373811342 /nfs/dbraw/zinc/81/13/42/373811342.db2.gz GOOTVKCWPFCFAU-UHFFFAOYSA-N 2 1 285.395 2.163 20 0 CEADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000371210953 373815402 /nfs/dbraw/zinc/81/54/02/373815402.db2.gz VYYYIAIIPLRITB-GVDBMIGSSA-N 2 1 298.471 2.282 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCc1ccccc1 ZINC000371300363 373835527 /nfs/dbraw/zinc/83/55/27/373835527.db2.gz ORCRHZRRBJRRDG-FGTMMUONSA-N 2 1 288.435 2.413 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000373172459 374282714 /nfs/dbraw/zinc/28/27/14/374282714.db2.gz CXOJMXKUZGYEOU-CQSZACIVSA-N 2 1 299.422 2.245 20 0 CEADMP COc1ccccc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000276742125 374285814 /nfs/dbraw/zinc/28/58/14/374285814.db2.gz ZIQQVKPKJDDGCB-GFCCVEGCSA-N 2 1 259.353 2.322 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)CC1 ZINC000277235937 374449371 /nfs/dbraw/zinc/44/93/71/374449371.db2.gz PCDQLHTVZQPZJI-HOTGVXAUSA-N 2 1 262.397 2.136 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@H](C)N1CCC(c2c[nH]cn2)CC1 ZINC000374201974 374510279 /nfs/dbraw/zinc/51/02/79/374510279.db2.gz YFHWAYAMSQLXMC-OLZOCXBDSA-N 2 1 292.427 2.282 20 0 CEADMP CO[C@@](C)(C[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000384329504 321851971 /nfs/dbraw/zinc/85/19/71/321851971.db2.gz TYCIKZXRRZYPLO-INIZCTEOSA-N 2 1 262.397 2.232 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000277633358 374587794 /nfs/dbraw/zinc/58/77/94/374587794.db2.gz CNMKZDQZXFSPBW-INIZCTEOSA-N 2 1 289.354 2.110 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2n[nH]cc2c1 ZINC000334210276 206197320 /nfs/dbraw/zinc/19/73/20/206197320.db2.gz DGYHBASEBDEEJP-LLVKDONJSA-N 2 1 258.369 2.308 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000375286732 374649444 /nfs/dbraw/zinc/64/94/44/374649444.db2.gz KYMHPXHLDCOXCL-OAGGEKHMSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1ccc(F)c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000277831864 374660401 /nfs/dbraw/zinc/66/04/01/374660401.db2.gz RPBCJUOBKIAEGX-UHFFFAOYSA-N 2 1 293.430 2.203 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(F)nc1C ZINC000278366391 374795317 /nfs/dbraw/zinc/79/53/17/374795317.db2.gz JTRJTRJXDQDNDB-UHFFFAOYSA-N 2 1 253.365 2.351 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000278417576 374810117 /nfs/dbraw/zinc/81/01/17/374810117.db2.gz IGDWRRHCLSLLSQ-DIECFANBSA-N 2 1 276.424 2.347 20 0 CEADMP Cc1ccncc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000684379064 541989023 /nfs/dbraw/zinc/98/90/23/541989023.db2.gz UQAZQBBYAKXVCU-QGZVFWFLSA-N 2 1 289.423 2.123 20 0 CEADMP Cc1ncccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000378366753 375083405 /nfs/dbraw/zinc/08/34/05/375083405.db2.gz BPPIZHOTSRRBFT-GVDBMIGSSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ncccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000378366753 375083413 /nfs/dbraw/zinc/08/34/13/375083413.db2.gz BPPIZHOTSRRBFT-GVDBMIGSSA-N 2 1 289.423 2.074 20 0 CEADMP C[C@H](C1CC1)[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000385547398 375234082 /nfs/dbraw/zinc/23/40/82/375234082.db2.gz GZYZMQUWRULLHN-MRXNPFEDSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@@H](CO)[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000289481693 197369077 /nfs/dbraw/zinc/36/90/77/197369077.db2.gz QQBYJCGQIRPWFL-HNNXBMFYSA-N 2 1 278.440 2.457 20 0 CEADMP C[C@@H](CO)[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000289481693 197369078 /nfs/dbraw/zinc/36/90/78/197369078.db2.gz QQBYJCGQIRPWFL-HNNXBMFYSA-N 2 1 278.440 2.457 20 0 CEADMP C[C@@H](CO)[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000289481693 197369080 /nfs/dbraw/zinc/36/90/80/197369080.db2.gz QQBYJCGQIRPWFL-HNNXBMFYSA-N 2 1 278.440 2.457 20 0 CEADMP C[C@@H](CO)[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000289481693 197369082 /nfs/dbraw/zinc/36/90/82/197369082.db2.gz QQBYJCGQIRPWFL-HNNXBMFYSA-N 2 1 278.440 2.457 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000388685110 375295284 /nfs/dbraw/zinc/29/52/84/375295284.db2.gz RKDWZUWHYNLBDL-HUUCEWRRSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000282502186 375500286 /nfs/dbraw/zinc/50/02/86/375500286.db2.gz YGHIQGDBCAYQHL-HNNXBMFYSA-N 2 1 275.440 2.363 20 0 CEADMP c1nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c[nH]1 ZINC000684617462 542046226 /nfs/dbraw/zinc/04/62/26/542046226.db2.gz UOCRVYBDORZHCM-UHFFFAOYSA-N 2 1 276.428 2.498 20 0 CEADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)OCC1CC1 ZINC000414272650 375813919 /nfs/dbraw/zinc/81/39/19/375813919.db2.gz QJQDHASMUSDMSQ-UHFFFAOYSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH2+]CCC1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000414662935 375906427 /nfs/dbraw/zinc/90/64/27/375906427.db2.gz QTGZMSTYDDEMPS-UHFFFAOYSA-N 2 1 296.484 2.026 20 0 CEADMP C[N@H+](C/C=C\c1ccc(F)cc1F)C1CC([NH3+])C1 ZINC000414765748 375957008 /nfs/dbraw/zinc/95/70/08/375957008.db2.gz CHGRFVYFKWPVJQ-IHWYPQMZSA-N 2 1 252.308 2.400 20 0 CEADMP C[N@@H+](C/C=C\c1ccc(F)cc1F)C1CC([NH3+])C1 ZINC000414765748 375957011 /nfs/dbraw/zinc/95/70/11/375957011.db2.gz CHGRFVYFKWPVJQ-IHWYPQMZSA-N 2 1 252.308 2.400 20 0 CEADMP C([C@@H]1CCSC1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414779984 375965483 /nfs/dbraw/zinc/96/54/83/375965483.db2.gz KZRVABKDEHQARJ-MJBXVCDLSA-N 2 1 254.443 2.061 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788518 375971028 /nfs/dbraw/zinc/97/10/28/375971028.db2.gz WWCDOJQEPDDEOC-KGLIPLIRSA-N 2 1 290.407 2.222 20 0 CEADMP CCc1nc2c(s1)[C@H]([N@@H+](C)CCC[NH3+])CCC2 ZINC000414702244 375930758 /nfs/dbraw/zinc/93/07/58/375930758.db2.gz IDQQHKFCWODIOC-LLVKDONJSA-N 2 1 253.415 2.364 20 0 CEADMP COC(=O)[C@H](CC1CCCCC1)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414742854 375947357 /nfs/dbraw/zinc/94/73/57/375947357.db2.gz GKOYOALUUPTWJC-BMFZPTHFSA-N 2 1 296.455 2.476 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@@H+](CCO)CC1CCCCC1 ZINC000414742872 375947772 /nfs/dbraw/zinc/94/77/72/375947772.db2.gz MOXPCQPKXDCJAN-OAHLLOKOSA-N 2 1 256.434 2.234 20 0 CEADMP Cc1ccn(C2CC[NH+](C[C@H]([NH3+])CC(C)C)CC2)n1 ZINC000414757250 375951159 /nfs/dbraw/zinc/95/11/59/375951159.db2.gz ABOHOVGBSPQHSB-CQSZACIVSA-N 2 1 264.417 2.202 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000414807568 375993226 /nfs/dbraw/zinc/99/32/26/375993226.db2.gz RNNJTWCQASGGJY-UHFFFAOYSA-N 2 1 266.385 2.311 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000414809581 375994560 /nfs/dbraw/zinc/99/45/60/375994560.db2.gz VOJNBWUZZZBCDC-UHFFFAOYSA-N 2 1 262.332 2.043 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC(C)(C)[NH3+])C1 ZINC000414809620 375996061 /nfs/dbraw/zinc/99/60/61/375996061.db2.gz VUDGZIPXAWXSIM-ZFWWWQNUSA-N 2 1 261.413 2.149 20 0 CEADMP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC(C)(C)[NH3+])C1 ZINC000414809620 375996065 /nfs/dbraw/zinc/99/60/65/375996065.db2.gz VUDGZIPXAWXSIM-ZFWWWQNUSA-N 2 1 261.413 2.149 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(COC)c1 ZINC000414817757 376004287 /nfs/dbraw/zinc/00/42/87/376004287.db2.gz SXQPLFMKBJOKPN-OAHLLOKOSA-N 2 1 250.386 2.440 20 0 CEADMP CCc1nc(N(CC)CCC[NH+](C)C)cc(C)[nH+]1 ZINC000286596173 376006584 /nfs/dbraw/zinc/00/65/84/376006584.db2.gz ICPCRAGXPSYPKE-UHFFFAOYSA-N 2 1 250.390 2.125 20 0 CEADMP C[C@H]([NH3+])CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000414821772 376008364 /nfs/dbraw/zinc/00/83/64/376008364.db2.gz LTUGOSQXRGMIOO-DZOHQFGASA-N 2 1 287.451 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000414821772 376008369 /nfs/dbraw/zinc/00/83/69/376008369.db2.gz LTUGOSQXRGMIOO-DZOHQFGASA-N 3 1 287.451 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000414821772 376008373 /nfs/dbraw/zinc/00/83/73/376008373.db2.gz LTUGOSQXRGMIOO-DZOHQFGASA-N 3 1 287.451 2.224 20 0 CEADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414964896 376012794 /nfs/dbraw/zinc/01/27/94/376012794.db2.gz VARKNBQCQOQVRV-BFYDXBDKSA-N 2 1 275.440 2.410 20 0 CEADMP [NH3+]C[C@H]([NH2+]C1CCN(c2nccs2)CC1)C1CCCC1 ZINC000415061818 376018392 /nfs/dbraw/zinc/01/83/92/376018392.db2.gz DPRUDLLXRGLMTQ-AWEZNQCLSA-N 2 1 294.468 2.219 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000414806154 375991002 /nfs/dbraw/zinc/99/10/02/375991002.db2.gz PUMIGWPSVNNCGY-UHFFFAOYSA-N 2 1 262.275 2.412 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000289741226 376476321 /nfs/dbraw/zinc/47/63/21/376476321.db2.gz IEMLVRNUDALWNP-SJLPKXTDSA-N 2 1 288.435 2.006 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000289741226 376476330 /nfs/dbraw/zinc/47/63/30/376476330.db2.gz IEMLVRNUDALWNP-SJLPKXTDSA-N 2 1 288.435 2.006 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000289741226 376476336 /nfs/dbraw/zinc/47/63/36/376476336.db2.gz IEMLVRNUDALWNP-SJLPKXTDSA-N 2 1 288.435 2.006 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000289741226 376476350 /nfs/dbraw/zinc/47/63/50/376476350.db2.gz IEMLVRNUDALWNP-SJLPKXTDSA-N 2 1 288.435 2.006 20 0 CEADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H](O)C[NH+](C)C ZINC000305735972 376464103 /nfs/dbraw/zinc/46/41/03/376464103.db2.gz SLUBSVVMECDNCC-VNHYZAJKSA-N 2 1 262.397 2.055 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1O ZINC000289811990 376511475 /nfs/dbraw/zinc/51/14/75/376511475.db2.gz PMOQIFNRDSNMCZ-RYUDHWBXSA-N 2 1 266.385 2.392 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc2cc[nH]c21 ZINC000263861383 190082193 /nfs/dbraw/zinc/08/21/93/190082193.db2.gz WAGQGOCAUZSCMT-UHFFFAOYSA-N 2 1 254.337 2.463 20 0 CEADMP CCOCCOCC[N@@H+](C)CCCc1cnccc1C ZINC000289903221 376552894 /nfs/dbraw/zinc/55/28/94/376552894.db2.gz XPKBZCXFWKJTHT-UHFFFAOYSA-N 2 1 280.412 2.308 20 0 CEADMP Fc1ccc(OCCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000312754184 376726932 /nfs/dbraw/zinc/72/69/32/376726932.db2.gz WOOQZZPTDBSRTF-KBPBESRZSA-N 2 1 278.371 2.136 20 0 CEADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000420908240 376733400 /nfs/dbraw/zinc/73/34/00/376733400.db2.gz WESVIZZDJDOUBO-UHFFFAOYSA-N 2 1 260.381 2.113 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](O)c1ccccc1 ZINC000290315309 376729550 /nfs/dbraw/zinc/72/95/50/376729550.db2.gz NYYVXOWQSYBJPT-SVGFKBNWSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000420908240 376733404 /nfs/dbraw/zinc/73/34/04/376733404.db2.gz WESVIZZDJDOUBO-UHFFFAOYSA-N 2 1 260.381 2.113 20 0 CEADMP CC[NH+](CC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420909404 376733488 /nfs/dbraw/zinc/73/34/88/376733488.db2.gz YEGYWEPEEOUWIM-UHFFFAOYSA-N 2 1 262.397 2.361 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000314138139 376765259 /nfs/dbraw/zinc/76/52/59/376765259.db2.gz FXBSMSUCNRSJCN-JYJNAYRXSA-N 2 1 295.471 2.084 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000314138139 376765268 /nfs/dbraw/zinc/76/52/68/376765268.db2.gz FXBSMSUCNRSJCN-JYJNAYRXSA-N 2 1 295.471 2.084 20 0 CEADMP CC[C@H]1C[NH+](CCCn2cc[nH+]c2C)C[C@H](CC)O1 ZINC000420947404 376744794 /nfs/dbraw/zinc/74/47/94/376744794.db2.gz CSEVVPJMYHNZLB-GJZGRUSLSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000421003982 376777678 /nfs/dbraw/zinc/77/76/78/376777678.db2.gz ZQHMSLSRKZMHOG-OAHLLOKOSA-N 2 1 277.412 2.351 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000421003982 376777686 /nfs/dbraw/zinc/77/76/86/376777686.db2.gz ZQHMSLSRKZMHOG-OAHLLOKOSA-N 2 1 277.412 2.351 20 0 CEADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(O)cc(F)c2)C1 ZINC000290452387 376785152 /nfs/dbraw/zinc/78/51/52/376785152.db2.gz MKDDKDMPZHFYHL-CJNGLKHVSA-N 2 1 278.371 2.447 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(O)cc(F)c2)C1 ZINC000290452387 376785163 /nfs/dbraw/zinc/78/51/63/376785163.db2.gz MKDDKDMPZHFYHL-CJNGLKHVSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(O)cc(F)c2)C1 ZINC000290452387 376785171 /nfs/dbraw/zinc/78/51/71/376785171.db2.gz MKDDKDMPZHFYHL-CJNGLKHVSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(O)cc(F)c2)C1 ZINC000290452387 376785180 /nfs/dbraw/zinc/78/51/80/376785180.db2.gz MKDDKDMPZHFYHL-CJNGLKHVSA-N 2 1 278.371 2.447 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc3nccn32)C1 ZINC000290458080 376787707 /nfs/dbraw/zinc/78/77/07/376787707.db2.gz MVJVPNRUZOFXER-ZBFHGGJFSA-N 2 1 284.407 2.250 20 0 CEADMP COC1(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCCC1 ZINC000319538002 376818062 /nfs/dbraw/zinc/81/80/62/376818062.db2.gz BACFLUTZHNAYHS-MJBXVCDLSA-N 2 1 252.402 2.005 20 0 CEADMP Cc1nccn1-c1ccc(CN[C@H](C)C2C[NH2+]C2)cc1F ZINC000422901417 376857925 /nfs/dbraw/zinc/85/79/25/376857925.db2.gz KTDARABLSAODGS-LLVKDONJSA-N 3 1 288.370 2.017 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000422949058 376871688 /nfs/dbraw/zinc/87/16/88/376871688.db2.gz SONNCOLIVOJYPW-OLZOCXBDSA-N 2 1 254.761 2.188 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422958785 376885172 /nfs/dbraw/zinc/88/51/72/376885172.db2.gz PYKGGHWMYMQEPZ-BSWAZPDLSA-N 3 1 290.455 2.338 20 0 CEADMP C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1c[nH+]ccc1N ZINC000422961330 376886600 /nfs/dbraw/zinc/88/66/00/376886600.db2.gz BKKMHZGGYDUOSY-SMDDNHRTSA-N 2 1 274.368 2.041 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000422987187 376907513 /nfs/dbraw/zinc/90/75/13/376907513.db2.gz FQHYMJBCAICODB-WFASDCNBSA-N 2 1 262.401 2.215 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)CCO1 ZINC000422986222 376907867 /nfs/dbraw/zinc/90/78/67/376907867.db2.gz GTFZRNNSKNNIPR-HUBLWGQQSA-N 2 1 263.385 2.348 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422997370 376914681 /nfs/dbraw/zinc/91/46/81/376914681.db2.gz NWHYUOJJNZTLRT-PMRDEQMMSA-N 2 1 279.472 2.227 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422997370 376914684 /nfs/dbraw/zinc/91/46/84/376914684.db2.gz NWHYUOJJNZTLRT-PMRDEQMMSA-N 3 1 279.472 2.227 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422997370 376914686 /nfs/dbraw/zinc/91/46/86/376914686.db2.gz NWHYUOJJNZTLRT-PMRDEQMMSA-N 3 1 279.472 2.227 20 0 CEADMP COCCCOc1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000423001618 376918799 /nfs/dbraw/zinc/91/87/99/376918799.db2.gz IESQRYJUTLXMSP-CVEARBPZSA-N 2 1 278.396 2.071 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1O ZINC000290837839 376947681 /nfs/dbraw/zinc/94/76/81/376947681.db2.gz YEOJYDIPJZRUNT-LBPRGKRZSA-N 2 1 276.380 2.313 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423131967 377029559 /nfs/dbraw/zinc/02/95/59/377029559.db2.gz IMBOTYXHUGZTPN-ZWNOBZJWSA-N 2 1 287.329 2.231 20 0 CEADMP Cc1cccnc1CCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423150994 377052355 /nfs/dbraw/zinc/05/23/55/377052355.db2.gz JOSOGGGOSWCZGC-ZDUSSCGKSA-N 2 1 270.380 2.481 20 0 CEADMP CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423145567 377044990 /nfs/dbraw/zinc/04/49/90/377044990.db2.gz LHGYHGYFYZYWGY-OUAUKWLOSA-N 2 1 268.323 2.074 20 0 CEADMP CSc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000423145710 377046807 /nfs/dbraw/zinc/04/68/07/377046807.db2.gz MCKTYSMCXOHHES-XHSDSOJGSA-N 2 1 293.480 2.481 20 0 CEADMP C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423085493 376980398 /nfs/dbraw/zinc/98/03/98/376980398.db2.gz KAAWNYRBRFQLBP-KGLIPLIRSA-N 2 1 266.429 2.049 20 0 CEADMP CS[C@H]1CC[NH+](CC(C)C[N@@H+]2CC[C@H](SC)C2)C1 ZINC000562723155 376986297 /nfs/dbraw/zinc/98/62/97/376986297.db2.gz PSGMLFYKPOBTAN-KBPBESRZSA-N 2 1 288.526 2.497 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000290950719 376998687 /nfs/dbraw/zinc/99/86/87/376998687.db2.gz PFIKYDZJSOTKFT-CYBMUJFWSA-N 2 1 288.395 2.185 20 0 CEADMP C[C@@H]([NH2+]C[C@@](C)(CO)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423109569 377002718 /nfs/dbraw/zinc/00/27/18/377002718.db2.gz NTJXNNZWEWMULO-OIISXLGYSA-N 2 1 276.424 2.057 20 0 CEADMP FC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCC1 ZINC000423111199 377006625 /nfs/dbraw/zinc/00/66/25/377006625.db2.gz QGKPOFBGSFGIAE-BFHYXJOUSA-N 2 1 270.392 2.015 20 0 CEADMP C[NH2+]CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423197808 377113893 /nfs/dbraw/zinc/11/38/93/377113893.db2.gz BHESSMIPCGGMFV-NNZMDNLPSA-N 2 1 287.451 2.381 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423197808 377113897 /nfs/dbraw/zinc/11/38/97/377113897.db2.gz BHESSMIPCGGMFV-NNZMDNLPSA-N 3 1 287.451 2.381 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423197808 377113906 /nfs/dbraw/zinc/11/39/06/377113906.db2.gz BHESSMIPCGGMFV-NNZMDNLPSA-N 3 1 287.451 2.381 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423164840 377070657 /nfs/dbraw/zinc/07/06/57/377070657.db2.gz AKVSXISRVHCCOS-VQHPVUNQSA-N 3 1 279.472 2.229 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423171031 377079642 /nfs/dbraw/zinc/07/96/42/377079642.db2.gz NETJEMCLKUSRFK-HIFRSBDPSA-N 3 1 290.455 2.231 20 0 CEADMP C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423176257 377083957 /nfs/dbraw/zinc/08/39/57/377083957.db2.gz FYYXCELUGANCOZ-BJJXKVORSA-N 2 1 280.387 2.022 20 0 CEADMP C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000423176258 377085419 /nfs/dbraw/zinc/08/54/19/377085419.db2.gz FYYXCELUGANCOZ-DUVNUKRYSA-N 2 1 280.387 2.022 20 0 CEADMP C[C@@H]1C[C@@H](NCC2([NH3+])CCCCCC2)C[N@H+]1C1CC1 ZINC000423207685 377124607 /nfs/dbraw/zinc/12/46/07/377124607.db2.gz YDFPGMWDOLMBIK-ZIAGYGMSSA-N 2 1 265.445 2.253 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCCC2)CN1C1CC1 ZINC000423207685 377124610 /nfs/dbraw/zinc/12/46/10/377124610.db2.gz YDFPGMWDOLMBIK-ZIAGYGMSSA-N 2 1 265.445 2.253 20 0 CEADMP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC[NH3+])cc1F ZINC000423183041 377094530 /nfs/dbraw/zinc/09/45/30/377094530.db2.gz KWTMZQCGCNIRQP-TZMCWYRMSA-N 2 1 266.360 2.409 20 0 CEADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccncc1 ZINC000423188377 377102973 /nfs/dbraw/zinc/10/29/73/377102973.db2.gz NPESOJWQOJJMQC-AWEZNQCLSA-N 2 1 270.380 2.307 20 0 CEADMP COc1ncc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000423207457 377125283 /nfs/dbraw/zinc/12/52/83/377125283.db2.gz HDECICIINHBMNA-QWRGUYRKSA-N 2 1 283.803 2.394 20 0 CEADMP F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423190493 377104683 /nfs/dbraw/zinc/10/46/83/377104683.db2.gz RVKDXHRPGZPVAC-RYPNDVFKSA-N 2 1 270.392 2.014 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000423270050 377189573 /nfs/dbraw/zinc/18/95/73/377189573.db2.gz WKBPVNWXDHNBHF-CJNGLKHVSA-N 2 1 291.439 2.412 20 0 CEADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423269418 377189653 /nfs/dbraw/zinc/18/96/53/377189653.db2.gz HCQXLQPALVENMO-ZIAGYGMSSA-N 2 1 266.360 2.395 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423271815 377191254 /nfs/dbraw/zinc/19/12/54/377191254.db2.gz JKLSJPSQSAKIEY-CGTJXYLNSA-N 2 1 289.467 2.470 20 0 CEADMP C[NH2+]CC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423222794 377138537 /nfs/dbraw/zinc/13/85/37/377138537.db2.gz CPMPZLIZVQSIJR-ZDUSSCGKSA-N 2 1 283.213 2.115 20 0 CEADMP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1OC ZINC000423239069 377157576 /nfs/dbraw/zinc/15/75/76/377157576.db2.gz RSYJMQVMOKGSDB-HIFRSBDPSA-N 2 1 292.423 2.285 20 0 CEADMP Cc1occc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000563345637 377175650 /nfs/dbraw/zinc/17/56/50/377175650.db2.gz GTBPYVGWORQXDL-QGZVFWFLSA-N 2 1 291.439 2.188 20 0 CEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C1CCOCC1 ZINC000423261961 377178428 /nfs/dbraw/zinc/17/84/28/377178428.db2.gz LEABVIJPTJXPSG-DOMZBBRYSA-N 2 1 254.418 2.299 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000423259729 377179656 /nfs/dbraw/zinc/17/96/56/377179656.db2.gz FRZDCSIREKEMPD-ZFWWWQNUSA-N 2 1 287.411 2.291 20 0 CEADMP Cc1cnc(CC[N@@H+](C)CCCc2c[nH+]cn2C)s1 ZINC000563351225 377181539 /nfs/dbraw/zinc/18/15/39/377181539.db2.gz XHOUXYUXVLCLNT-UHFFFAOYSA-N 2 1 278.425 2.292 20 0 CEADMP Cc1cnc(CC[N@H+](C)CCCc2c[nH+]cn2C)s1 ZINC000563351225 377181542 /nfs/dbraw/zinc/18/15/42/377181542.db2.gz XHOUXYUXVLCLNT-UHFFFAOYSA-N 2 1 278.425 2.292 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(C(=O)OC)cs1 ZINC000423267810 377187038 /nfs/dbraw/zinc/18/70/38/377187038.db2.gz FGUMMROCTAYBMT-NXEZZACHSA-N 2 1 270.398 2.041 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000423281982 377209074 /nfs/dbraw/zinc/20/90/74/377209074.db2.gz WAXAIWDUTDULCL-NEPJUHHUSA-N 2 1 266.385 2.210 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000423283635 377212488 /nfs/dbraw/zinc/21/24/88/377212488.db2.gz XQXHGWKELHFKSM-FZMZJTMJSA-N 2 1 266.360 2.485 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(-n2cccn2)cc1 ZINC000423290000 377218750 /nfs/dbraw/zinc/21/87/50/377218750.db2.gz YYTFYDDGGKJHAV-LBPRGKRZSA-N 2 1 258.369 2.260 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000423302122 377230590 /nfs/dbraw/zinc/23/05/90/377230590.db2.gz HCKQRACBHFILOS-HZPDHXFCSA-N 3 1 289.467 2.266 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000423299642 377230733 /nfs/dbraw/zinc/23/07/33/377230733.db2.gz QHYDBDWEHMVQIF-CHWSQXEVSA-N 3 1 272.396 2.426 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000423303706 377231615 /nfs/dbraw/zinc/23/16/15/377231615.db2.gz JHAWWLOEUKNUDG-UWVGGRQHSA-N 2 1 253.415 2.267 20 0 CEADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(Br)c(F)c1 ZINC000423303655 377231667 /nfs/dbraw/zinc/23/16/67/377231667.db2.gz MGQLYVWQIKJDRY-MRVPVSSYSA-N 2 1 287.176 2.458 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423304776 377234015 /nfs/dbraw/zinc/23/40/15/377234015.db2.gz ZLACTVAJURRACA-UONOGXRCSA-N 2 1 254.418 2.443 20 0 CEADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]([NH3+])C1CC1)CCC2 ZINC000423311264 377239927 /nfs/dbraw/zinc/23/99/27/377239927.db2.gz BNSCEYKSCDDHSE-WDEREUQCSA-N 2 1 251.399 2.156 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](CCc1ccccc1)CC(C)C ZINC000563544866 377247431 /nfs/dbraw/zinc/24/74/31/377247431.db2.gz FEWFSYAFIIIQPD-SFHVURJKSA-N 2 1 292.467 2.500 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](CCc1ccccc1)CC(C)C ZINC000563544866 377247440 /nfs/dbraw/zinc/24/74/40/377247440.db2.gz FEWFSYAFIIIQPD-SFHVURJKSA-N 2 1 292.467 2.500 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CCc1ccccc1)CC(C)C ZINC000563544866 377247452 /nfs/dbraw/zinc/24/74/52/377247452.db2.gz FEWFSYAFIIIQPD-SFHVURJKSA-N 2 1 292.467 2.500 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CCc1ccccc1)CC(C)C ZINC000563544866 377247459 /nfs/dbraw/zinc/24/74/59/377247459.db2.gz FEWFSYAFIIIQPD-SFHVURJKSA-N 2 1 292.467 2.500 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000423321382 377252897 /nfs/dbraw/zinc/25/28/97/377252897.db2.gz HMFSLGDYIKRYBH-NSHDSACASA-N 2 1 264.369 2.236 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(-n2ccnc2)cc1 ZINC000423328610 377262799 /nfs/dbraw/zinc/26/27/99/377262799.db2.gz NZDJKRBIMAZTOL-CYBMUJFWSA-N 2 1 270.380 2.404 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(C)c1OC ZINC000423275630 377199707 /nfs/dbraw/zinc/19/97/07/377199707.db2.gz MAEFWDDQSSCTRP-FZMZJTMJSA-N 2 1 278.396 2.400 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]2CCCC[C@H]12 ZINC000563919128 377318296 /nfs/dbraw/zinc/31/82/96/377318296.db2.gz NDEWSCVFVBPVLL-DZUCGIPZSA-N 2 1 280.456 2.342 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]2CCCC[C@H]12 ZINC000563919128 377318300 /nfs/dbraw/zinc/31/83/00/377318300.db2.gz NDEWSCVFVBPVLL-DZUCGIPZSA-N 2 1 280.456 2.342 20 0 CEADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@H]2CCCC[C@H]12 ZINC000563919128 377318303 /nfs/dbraw/zinc/31/83/03/377318303.db2.gz NDEWSCVFVBPVLL-DZUCGIPZSA-N 2 1 280.456 2.342 20 0 CEADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@H]2CCCC[C@H]12 ZINC000563919128 377318308 /nfs/dbraw/zinc/31/83/08/377318308.db2.gz NDEWSCVFVBPVLL-DZUCGIPZSA-N 2 1 280.456 2.342 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C(C)C)C1CC(C)(C)C1 ZINC000563971256 377331326 /nfs/dbraw/zinc/33/13/26/377331326.db2.gz NWJWGNSPOARAQB-CQSZACIVSA-N 2 1 256.434 2.198 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C(C)C)C1CC(C)(C)C1 ZINC000563971256 377331330 /nfs/dbraw/zinc/33/13/30/377331330.db2.gz NWJWGNSPOARAQB-CQSZACIVSA-N 2 1 256.434 2.198 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C(C)C)C1CC(C)(C)C1 ZINC000563971256 377331336 /nfs/dbraw/zinc/33/13/36/377331336.db2.gz NWJWGNSPOARAQB-CQSZACIVSA-N 2 1 256.434 2.198 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C(C)C)C1CC(C)(C)C1 ZINC000563971256 377331343 /nfs/dbraw/zinc/33/13/43/377331343.db2.gz NWJWGNSPOARAQB-CQSZACIVSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000292950461 377365348 /nfs/dbraw/zinc/36/53/48/377365348.db2.gz OCTHAAZTSHYAMB-FGTMMUONSA-N 2 1 288.435 2.067 20 0 CEADMP CC(C)[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000292950461 377365360 /nfs/dbraw/zinc/36/53/60/377365360.db2.gz OCTHAAZTSHYAMB-FGTMMUONSA-N 2 1 288.435 2.067 20 0 CEADMP CC(C)[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000292950461 377365368 /nfs/dbraw/zinc/36/53/68/377365368.db2.gz OCTHAAZTSHYAMB-FGTMMUONSA-N 2 1 288.435 2.067 20 0 CEADMP Cc1ccncc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292973624 377375707 /nfs/dbraw/zinc/37/57/07/377375707.db2.gz MLZZIDFWAWGDFB-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ccncc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292973624 377375714 /nfs/dbraw/zinc/37/57/14/377375714.db2.gz MLZZIDFWAWGDFB-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ccncc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292973624 377375722 /nfs/dbraw/zinc/37/57/22/377375722.db2.gz MLZZIDFWAWGDFB-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ccncc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292973624 377375725 /nfs/dbraw/zinc/37/57/25/377375725.db2.gz MLZZIDFWAWGDFB-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)oc1C ZINC000564457798 377394495 /nfs/dbraw/zinc/39/44/95/377394495.db2.gz XZGMNAXAYFRLAY-ZBFHGGJFSA-N 2 1 293.411 2.010 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@H](O)Cc1ccccc1 ZINC000293315009 377517665 /nfs/dbraw/zinc/51/76/65/377517665.db2.gz LSXRBQPOPYLMMJ-GOSISDBHSA-N 2 1 290.451 2.398 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)CC)CC1 ZINC000685632903 542171674 /nfs/dbraw/zinc/17/16/74/542171674.db2.gz MGLLFYJHQCKHPW-CQSZACIVSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)CC)CC1 ZINC000685632903 542171677 /nfs/dbraw/zinc/17/16/77/542171677.db2.gz MGLLFYJHQCKHPW-CQSZACIVSA-N 2 1 283.460 2.097 20 0 CEADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000293346769 377530395 /nfs/dbraw/zinc/53/03/95/377530395.db2.gz GUOLXIIGEYODLP-WDEREUQCSA-N 2 1 284.425 2.383 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000430767603 377550155 /nfs/dbraw/zinc/55/01/55/377550155.db2.gz XWVZSSZNVQQMLX-PMPSAXMXSA-N 2 1 295.471 2.275 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000565098472 377557655 /nfs/dbraw/zinc/55/76/55/377557655.db2.gz KEXNPAODHIPVEF-HOCLYGCPSA-N 2 1 294.464 2.071 20 0 CEADMP Cc1cccc(C)c1OCCC[N@@H+](C)[C@@H](C)C[NH3+] ZINC000430971495 377580800 /nfs/dbraw/zinc/58/08/00/377580800.db2.gz NQFJFHULXIRDOX-AWEZNQCLSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1cccc(C)c1OCCC[N@H+](C)[C@@H](C)C[NH3+] ZINC000430971495 377580805 /nfs/dbraw/zinc/58/08/05/377580805.db2.gz NQFJFHULXIRDOX-AWEZNQCLSA-N 2 1 250.386 2.351 20 0 CEADMP CC(C)Oc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000313391735 249394743 /nfs/dbraw/zinc/39/47/43/249394743.db2.gz NDUDOXMYZUMYNV-MRXNPFEDSA-N 2 1 278.396 2.023 20 0 CEADMP CC(C)Oc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000313391735 249394747 /nfs/dbraw/zinc/39/47/47/249394747.db2.gz NDUDOXMYZUMYNV-MRXNPFEDSA-N 2 1 278.396 2.023 20 0 CEADMP Cn1c2cc(F)ccc2[nH+]c1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000431423324 377641950 /nfs/dbraw/zinc/64/19/50/377641950.db2.gz SBSPTQITGCVKDQ-OLZOCXBDSA-N 2 1 290.386 2.419 20 0 CEADMP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(F)cc1F ZINC000566063421 377716266 /nfs/dbraw/zinc/71/62/66/377716266.db2.gz STCNPIUVGLSDQL-RISCZKNCSA-N 2 1 298.377 2.113 20 0 CEADMP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(F)cc1F ZINC000566063421 377716276 /nfs/dbraw/zinc/71/62/76/377716276.db2.gz STCNPIUVGLSDQL-RISCZKNCSA-N 2 1 298.377 2.113 20 0 CEADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c(C)n2n1 ZINC000293734180 377730423 /nfs/dbraw/zinc/73/04/23/377730423.db2.gz QFYGBDNAHBUZMF-DGCLKSJQSA-N 2 1 289.427 2.194 20 0 CEADMP CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCO1 ZINC000566132068 377733210 /nfs/dbraw/zinc/73/32/10/377733210.db2.gz SLNHNDXVDDZIQD-XIRDDKMYSA-N 2 1 298.471 2.015 20 0 CEADMP CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCO1 ZINC000566132068 377733219 /nfs/dbraw/zinc/73/32/19/377733219.db2.gz SLNHNDXVDDZIQD-XIRDDKMYSA-N 2 1 298.471 2.015 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)CC[NH2+]1 ZINC000333225466 377756638 /nfs/dbraw/zinc/75/66/38/377756638.db2.gz XHMUNSKPEJMLDS-DGTMBMJNSA-N 2 1 265.401 2.010 20 0 CEADMP COC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCC1 ZINC000432422173 377761527 /nfs/dbraw/zinc/76/15/27/377761527.db2.gz SHIMVOAPEUOJNI-DOTOQJQBSA-N 2 1 298.471 2.282 20 0 CEADMP [NH3+]C1(c2noc([C@@H]3CCn4cc[nH+]c4C3)n2)CCCCC1 ZINC000333645749 377813537 /nfs/dbraw/zinc/81/35/37/377813537.db2.gz YCIPVLCARYIMRZ-LLVKDONJSA-N 2 1 287.367 2.114 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](C)C[C@H]1C ZINC000566944312 377787977 /nfs/dbraw/zinc/78/79/77/377787977.db2.gz JBEHQTWUWGBHMA-RBSFLKMASA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000566944312 377787980 /nfs/dbraw/zinc/78/79/80/377787980.db2.gz JBEHQTWUWGBHMA-RBSFLKMASA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000566944312 377787985 /nfs/dbraw/zinc/78/79/85/377787985.db2.gz JBEHQTWUWGBHMA-RBSFLKMASA-N 2 1 255.450 2.037 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000567058995 377797767 /nfs/dbraw/zinc/79/77/67/377797767.db2.gz KYJQEJCIEXLREQ-DLBZAZTESA-N 2 1 290.451 2.405 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000567058995 377797774 /nfs/dbraw/zinc/79/77/74/377797774.db2.gz KYJQEJCIEXLREQ-DLBZAZTESA-N 2 1 290.451 2.405 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000567058995 377797780 /nfs/dbraw/zinc/79/77/80/377797780.db2.gz KYJQEJCIEXLREQ-DLBZAZTESA-N 2 1 290.451 2.405 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2CCOC2)[C@@H](C)C1 ZINC000438115327 377888755 /nfs/dbraw/zinc/88/87/55/377888755.db2.gz HEWFRRGAWMAVEC-KKUMJFAQSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CCOC2)[C@@H](C)C1 ZINC000438115327 377888759 /nfs/dbraw/zinc/88/87/59/377888759.db2.gz HEWFRRGAWMAVEC-KKUMJFAQSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2CCOC2)[C@@H](C)C1 ZINC000438115327 377888762 /nfs/dbraw/zinc/88/87/62/377888762.db2.gz HEWFRRGAWMAVEC-KKUMJFAQSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441354385 377937671 /nfs/dbraw/zinc/93/76/71/377937671.db2.gz IKPRNSHEMXCOKA-GJZGRUSLSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+](CC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)C1CC1 ZINC000442848948 378007487 /nfs/dbraw/zinc/00/74/87/378007487.db2.gz GCEDUIAKTBBGDC-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000443074984 378034604 /nfs/dbraw/zinc/03/46/04/378034604.db2.gz QVEVVRBIZINKMC-MRXNPFEDSA-N 2 1 295.471 2.134 20 0 CEADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443071962 378034916 /nfs/dbraw/zinc/03/49/16/378034916.db2.gz NDUYUTDMYXZDRD-BZUAXINKSA-N 2 1 295.471 2.084 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000443345947 378048032 /nfs/dbraw/zinc/04/80/32/378048032.db2.gz TXEVHWZCTSCZEQ-DZKIICNBSA-N 2 1 279.428 2.453 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000443345947 378048033 /nfs/dbraw/zinc/04/80/33/378048033.db2.gz TXEVHWZCTSCZEQ-DZKIICNBSA-N 2 1 279.428 2.453 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC(C)C ZINC000360958970 284684102 /nfs/dbraw/zinc/68/41/02/284684102.db2.gz UMVUETOOZIVHQI-HOTGVXAUSA-N 2 1 297.487 2.249 20 0 CEADMP Cn1c2ccccc2nc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442932228 378020445 /nfs/dbraw/zinc/02/04/45/378020445.db2.gz XNCBNNNUQZJUPL-CYBMUJFWSA-N 2 1 272.396 2.134 20 0 CEADMP CCc1cc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc[nH+]1 ZINC000450320274 378353763 /nfs/dbraw/zinc/35/37/63/378353763.db2.gz NQNNQDHHYKOKSC-UHFFFAOYSA-N 2 1 299.422 2.090 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)Cc2ccccc2)C[C@@H]1C ZINC000450471637 378435797 /nfs/dbraw/zinc/43/57/97/378435797.db2.gz WLPUIMGKVVDIOY-CGTJXYLNSA-N 2 1 290.451 2.395 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)Cc2ccccc2)C[C@@H]1C ZINC000450471637 378435800 /nfs/dbraw/zinc/43/58/00/378435800.db2.gz WLPUIMGKVVDIOY-CGTJXYLNSA-N 2 1 290.451 2.395 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)Cc2ccccc2)C[C@@H]1C ZINC000450471637 378435812 /nfs/dbraw/zinc/43/58/12/378435812.db2.gz WLPUIMGKVVDIOY-CGTJXYLNSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC[NH+](C)Cc1ccccc1 ZINC000450655487 378522209 /nfs/dbraw/zinc/52/22/09/378522209.db2.gz SVRZJONFAUUWFJ-HZPDHXFCSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1CC[N@H+](C)Cc1ccccc1 ZINC000450655487 378522213 /nfs/dbraw/zinc/52/22/13/378522213.db2.gz SVRZJONFAUUWFJ-HZPDHXFCSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1CC[N@@H+](C)Cc1ccccc1 ZINC000450655487 378522219 /nfs/dbraw/zinc/52/22/19/378522219.db2.gz SVRZJONFAUUWFJ-HZPDHXFCSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@H](O)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000450982896 378670979 /nfs/dbraw/zinc/67/09/79/378670979.db2.gz NXWNWQLHAAJSNY-WMZOPIPTSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H](O)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000450982896 378670984 /nfs/dbraw/zinc/67/09/84/378670984.db2.gz NXWNWQLHAAJSNY-WMZOPIPTSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H](O)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000450982896 378670988 /nfs/dbraw/zinc/67/09/88/378670988.db2.gz NXWNWQLHAAJSNY-WMZOPIPTSA-N 2 1 288.435 2.355 20 0 CEADMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C(C)(C)C ZINC000453095820 378799722 /nfs/dbraw/zinc/79/97/22/378799722.db2.gz HKGGBYXZNADPDD-CABCVRRESA-N 2 1 297.487 2.378 20 0 CEADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346831384 218028493 /nfs/dbraw/zinc/02/84/93/218028493.db2.gz KYSSIYZDMHDWGV-RRFJBIMHSA-N 2 1 290.407 2.263 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n21 ZINC000346833902 218028963 /nfs/dbraw/zinc/02/89/63/218028963.db2.gz MWJWZDFYWJQCLU-IMJJTQAJSA-N 2 1 284.407 2.202 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000346836181 218029853 /nfs/dbraw/zinc/02/98/53/218029853.db2.gz OUACMWSSDNBXAY-VXGBXAGGSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000346836181 218029860 /nfs/dbraw/zinc/02/98/60/218029860.db2.gz OUACMWSSDNBXAY-VXGBXAGGSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)c2sccc21 ZINC000453201003 378827560 /nfs/dbraw/zinc/82/75/60/378827560.db2.gz RVXITGOYBNNFHD-OSAQELSMSA-N 2 1 280.437 2.343 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)c2sccc21 ZINC000453201003 378827566 /nfs/dbraw/zinc/82/75/66/378827566.db2.gz RVXITGOYBNNFHD-OSAQELSMSA-N 2 1 280.437 2.343 20 0 CEADMP Cc1ncc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)n1-c1ccccc1 ZINC000346837103 218031128 /nfs/dbraw/zinc/03/11/28/218031128.db2.gz PEKSCUQNERROCJ-HIFRSBDPSA-N 2 1 284.407 2.350 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000266249730 190243024 /nfs/dbraw/zinc/24/30/24/190243024.db2.gz ZSZHOPIRLPAOJJ-LBPRGKRZSA-N 2 1 273.384 2.126 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000266249730 190243025 /nfs/dbraw/zinc/24/30/25/190243025.db2.gz ZSZHOPIRLPAOJJ-LBPRGKRZSA-N 2 1 273.384 2.126 20 0 CEADMP C[C@H](CCN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000346864243 218041852 /nfs/dbraw/zinc/04/18/52/218041852.db2.gz FSAODYLIVGLADF-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H](CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000346864243 218041855 /nfs/dbraw/zinc/04/18/55/218041855.db2.gz FSAODYLIVGLADF-OAGGEKHMSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000346864243 218041858 /nfs/dbraw/zinc/04/18/58/218041858.db2.gz FSAODYLIVGLADF-OAGGEKHMSA-N 3 1 267.461 2.181 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)n1 ZINC000453394804 378885462 /nfs/dbraw/zinc/88/54/62/378885462.db2.gz HDZJBHBLWIAEBY-AWEZNQCLSA-N 2 1 291.439 2.485 20 0 CEADMP CCOC[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000453418660 378897573 /nfs/dbraw/zinc/89/75/73/378897573.db2.gz ZPZLHPIVEVJCJC-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CCOC[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000453418660 378897577 /nfs/dbraw/zinc/89/75/77/378897577.db2.gz ZPZLHPIVEVJCJC-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CCOC[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000453418660 378897579 /nfs/dbraw/zinc/89/75/79/378897579.db2.gz ZPZLHPIVEVJCJC-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(C)(C)[NH3+] ZINC000346965871 218072339 /nfs/dbraw/zinc/07/23/39/218072339.db2.gz CVHLVBHAYZAQJG-OAHLLOKOSA-N 2 1 275.440 2.320 20 0 CEADMP C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346967533 218072741 /nfs/dbraw/zinc/07/27/41/218072741.db2.gz DCGBXHGUVSCWFH-CPUCHLNUSA-N 2 1 274.408 2.310 20 0 CEADMP OCCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000346964581 218072793 /nfs/dbraw/zinc/07/27/93/218072793.db2.gz BNMLZHONMIVQSR-MAUKXSAKSA-N 2 1 288.435 2.358 20 0 CEADMP COCc1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cs1 ZINC000347038079 218100359 /nfs/dbraw/zinc/10/03/59/218100359.db2.gz ICAGHXCURKWVEH-CQSZACIVSA-N 2 1 295.452 2.254 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)CC[C@@H]1[NH3+] ZINC000347042766 218103356 /nfs/dbraw/zinc/10/33/56/218103356.db2.gz MCLROPMFZYKIHS-GWCFXTLKSA-N 2 1 270.323 2.457 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000347046532 218103995 /nfs/dbraw/zinc/10/39/95/218103995.db2.gz OOWUBJWWVWROFM-FMBMQGQPSA-N 2 1 252.308 2.259 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000347046532 218103997 /nfs/dbraw/zinc/10/39/97/218103997.db2.gz OOWUBJWWVWROFM-FMBMQGQPSA-N 2 1 252.308 2.259 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000347051895 218106384 /nfs/dbraw/zinc/10/63/84/218106384.db2.gz RUZLFVPYIVXJJI-CQSZACIVSA-N 2 1 284.407 2.426 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000347051895 218106385 /nfs/dbraw/zinc/10/63/85/218106385.db2.gz RUZLFVPYIVXJJI-CQSZACIVSA-N 2 1 284.407 2.426 20 0 CEADMP COc1cc(C)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(C)n1 ZINC000347061184 218109564 /nfs/dbraw/zinc/10/95/64/218109564.db2.gz YOBJDXGVEGCZDQ-JSGCOSHPSA-N 2 1 277.412 2.266 20 0 CEADMP C[NH2+]C1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000347105440 218122900 /nfs/dbraw/zinc/12/29/00/218122900.db2.gz NFTFXZIBNCBUJE-UHFFFAOYSA-N 2 1 276.409 2.118 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000347140074 218134903 /nfs/dbraw/zinc/13/49/03/218134903.db2.gz WCTPHVUCOYEQQX-JSGCOSHPSA-N 2 1 278.396 2.263 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000347140074 218134905 /nfs/dbraw/zinc/13/49/05/218134905.db2.gz WCTPHVUCOYEQQX-JSGCOSHPSA-N 2 1 278.396 2.263 20 0 CEADMP COC1CC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000347383679 218214789 /nfs/dbraw/zinc/21/47/89/218214789.db2.gz YSHVJMNZZNYZME-WWDZGPRUSA-N 2 1 288.435 2.318 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1(C)C ZINC000300410037 379166585 /nfs/dbraw/zinc/16/65/85/379166585.db2.gz DHWNUXMPSBAYNF-PDWCTOEPSA-N 2 1 254.418 2.118 20 0 CEADMP COCCC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300416879 379168875 /nfs/dbraw/zinc/16/88/75/379168875.db2.gz YPTJZYKNJGRINP-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000300424707 379173686 /nfs/dbraw/zinc/17/36/86/379173686.db2.gz ICRVTJLNOFQEEO-CHZLEKFTSA-N 2 1 266.429 2.405 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000515257448 379198725 /nfs/dbraw/zinc/19/87/25/379198725.db2.gz QAYVMZCWQHJGGA-SQWLQELKSA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000515257448 379198729 /nfs/dbraw/zinc/19/87/29/379198729.db2.gz QAYVMZCWQHJGGA-SQWLQELKSA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000515257448 379198737 /nfs/dbraw/zinc/19/87/37/379198737.db2.gz QAYVMZCWQHJGGA-SQWLQELKSA-N 2 1 267.461 2.179 20 0 CEADMP C[NH+](C)[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000515264733 379199856 /nfs/dbraw/zinc/19/98/56/379199856.db2.gz GMDPOAZPCAYRHB-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cncs1 ZINC000278868942 194189812 /nfs/dbraw/zinc/18/98/12/194189812.db2.gz BNRCELVSMJPWDY-MNOVXSKESA-N 2 1 262.382 2.253 20 0 CEADMP Cc1cccn2c(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)cnc12 ZINC000516215388 379265473 /nfs/dbraw/zinc/26/54/73/379265473.db2.gz SKLMNANKBJTUNF-HNNXBMFYSA-N 2 1 286.423 2.463 20 0 CEADMP Cc1cccn2c(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)cnc12 ZINC000516215388 379265478 /nfs/dbraw/zinc/26/54/78/379265478.db2.gz SKLMNANKBJTUNF-HNNXBMFYSA-N 2 1 286.423 2.463 20 0 CEADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000302428674 379371941 /nfs/dbraw/zinc/37/19/41/379371941.db2.gz OFVYTKFQHDQDGN-HNNXBMFYSA-N 2 1 299.418 2.354 20 0 CEADMP c1cnn(-c2cccc(C[NH2+][C@H]3CCc4[nH]cnc4C3)c2)c1 ZINC000520463019 379474177 /nfs/dbraw/zinc/47/41/77/379474177.db2.gz MVKHYIBBUBRRHN-AWEZNQCLSA-N 2 1 293.374 2.243 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(CC)(CC)CCO)[C@H](C)C1 ZINC000305174541 379670055 /nfs/dbraw/zinc/67/00/55/379670055.db2.gz VBRWWXXDZBIBIX-HUUCEWRRSA-N 2 1 270.461 2.495 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000305612771 379721858 /nfs/dbraw/zinc/72/18/58/379721858.db2.gz AIGAELQRXLVYQI-OAGGEKHMSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000305612771 379721866 /nfs/dbraw/zinc/72/18/66/379721866.db2.gz AIGAELQRXLVYQI-OAGGEKHMSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000305612771 379721872 /nfs/dbraw/zinc/72/18/72/379721872.db2.gz AIGAELQRXLVYQI-OAGGEKHMSA-N 2 1 266.429 2.098 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000305649549 379724478 /nfs/dbraw/zinc/72/44/78/379724478.db2.gz TXFWNRQJTKXGMA-UKRRQHHQSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000305649549 379724486 /nfs/dbraw/zinc/72/44/86/379724486.db2.gz TXFWNRQJTKXGMA-UKRRQHHQSA-N 2 1 265.401 2.207 20 0 CEADMP COc1cccnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000527927945 379849979 /nfs/dbraw/zinc/84/99/79/379849979.db2.gz CIKARTJCZHFWMB-QWHCGFSZSA-N 2 1 261.369 2.011 20 0 CEADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2COC2)C3)cc1 ZINC000528029350 379881152 /nfs/dbraw/zinc/88/11/52/379881152.db2.gz YSHFQCZCKOMBNJ-NNZMDNLPSA-N 2 1 286.419 2.418 20 0 CEADMP C[C@H](C(=O)NCC[C@@H]1CCC[NH+](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000458181773 380033263 /nfs/dbraw/zinc/03/32/63/380033263.db2.gz ZXMFPDWJIKRAFT-QXSJWSMHSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@@H+](CCNC(=O)c1sccc1C[NH+](C)C)C1CC1 ZINC000268058988 190372860 /nfs/dbraw/zinc/37/28/60/190372860.db2.gz ZLOJFACTJALXIN-UHFFFAOYSA-N 2 1 295.452 2.024 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000334203968 380253645 /nfs/dbraw/zinc/25/36/45/380253645.db2.gz RNYXWZMFRWUKPW-OAHLLOKOSA-N 2 1 264.413 2.187 20 0 CEADMP Cc1nc2c(c(NC[C@H]3CC[N@H+](C(C)C)C3)n1)CCCC2 ZINC000542949328 380324394 /nfs/dbraw/zinc/32/43/94/380324394.db2.gz XJEZBNSMBUWDHV-CQSZACIVSA-N 2 1 288.439 2.228 20 0 CEADMP C[C@H](C[NH2+]Cc1scnc1C1CC1)C[NH+](C)C ZINC000491560481 380331655 /nfs/dbraw/zinc/33/16/55/380331655.db2.gz PJJHNDWGFHRBEM-SNVBAGLBSA-N 2 1 253.415 2.308 20 0 CEADMP C[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000546722719 380416053 /nfs/dbraw/zinc/41/60/53/380416053.db2.gz QVYCXUOQWXOWCG-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1[nH]nc2ncc(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)cc12 ZINC000550828147 380630307 /nfs/dbraw/zinc/63/03/07/380630307.db2.gz XPOLRALHXAQMHW-ZDUSSCGKSA-N 2 1 287.411 2.086 20 0 CEADMP Cc1[nH]nc2ncc(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)cc12 ZINC000550828147 380630315 /nfs/dbraw/zinc/63/03/15/380630315.db2.gz XPOLRALHXAQMHW-ZDUSSCGKSA-N 2 1 287.411 2.086 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)[C@@H](C)C1 ZINC000554117462 380758252 /nfs/dbraw/zinc/75/82/52/380758252.db2.gz GGMUNSMIRHWKNV-CAOSSQGBSA-N 2 1 268.445 2.105 20 0 CEADMP CC1CCC([NH2+]CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000553759103 380749870 /nfs/dbraw/zinc/74/98/70/380749870.db2.gz BTBMCLWILPXLLC-UHFFFAOYSA-N 2 1 281.488 2.428 20 0 CEADMP CCCN1CCC([NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000037221497 542279286 /nfs/dbraw/zinc/27/92/86/542279286.db2.gz HKAACXFFNCHHQS-AWEZNQCLSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccncc1F ZINC000556196461 380883301 /nfs/dbraw/zinc/88/33/01/380883301.db2.gz YPOOKHBXHOYIIT-UWVGGRQHSA-N 2 1 260.316 2.152 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000334857929 207197034 /nfs/dbraw/zinc/19/70/34/207197034.db2.gz QNNDHHZXWNJPMP-GXFFZTMASA-N 2 1 278.787 2.075 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cncc(Br)c2)CC[NH2+]1 ZINC000334869672 207217235 /nfs/dbraw/zinc/21/72/35/207217235.db2.gz RRDIWHPVGWDXCW-BXKDBHETSA-N 2 1 284.201 2.074 20 0 CEADMP Cc1ccc(C)c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000335254153 208035688 /nfs/dbraw/zinc/03/56/88/208035688.db2.gz VLMYYQYWGHZXCU-QGZVFWFLSA-N 2 1 288.435 2.491 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC000350333412 219009016 /nfs/dbraw/zinc/00/90/16/219009016.db2.gz SAJDCYZPIIAOLD-OAHLLOKOSA-N 2 1 295.427 2.224 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC000350333412 219009017 /nfs/dbraw/zinc/00/90/17/219009017.db2.gz SAJDCYZPIIAOLD-OAHLLOKOSA-N 2 1 295.427 2.224 20 0 CEADMP Cc1cccc(CCC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000353853882 220368213 /nfs/dbraw/zinc/36/82/13/220368213.db2.gz GTCBCZYDLBWVEQ-CZUORRHYSA-N 2 1 261.413 2.252 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)CC1(SC)CC1 ZINC000349072419 285250408 /nfs/dbraw/zinc/25/04/08/285250408.db2.gz IKXDACKRUDXCNC-OAHLLOKOSA-N 2 1 299.528 2.230 20 0 CEADMP C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@H]1CNC(=O)OC(C)(C)C ZINC000497254007 262127234 /nfs/dbraw/zinc/12/72/34/262127234.db2.gz QYOYOMMXWUMHHI-CHWSQXEVSA-N 2 1 299.459 2.206 20 0 CEADMP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@H]1CNC(=O)OC(C)(C)C ZINC000497254007 262127235 /nfs/dbraw/zinc/12/72/35/262127235.db2.gz QYOYOMMXWUMHHI-CHWSQXEVSA-N 2 1 299.459 2.206 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000281824718 195396969 /nfs/dbraw/zinc/39/69/69/195396969.db2.gz XEHFKJMDDUNUMF-GOSISDBHSA-N 2 1 299.418 2.395 20 0 CEADMP COC[C@H](CC(C)C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414928845 285372020 /nfs/dbraw/zinc/37/20/20/285372020.db2.gz NNLVJMXXMHKBTD-KBPBESRZSA-N 2 1 256.434 2.415 20 0 CEADMP c1ccc2c(c1)SCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000335029432 285523287 /nfs/dbraw/zinc/52/32/87/285523287.db2.gz KPNJJVKOIQPVMW-OCCSQVGLSA-N 2 1 278.421 2.192 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](CCO)CC1 ZINC000421018031 394466825 /nfs/dbraw/zinc/46/68/25/394466825.db2.gz NSOYSFQGGACVDW-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421018031 394466828 /nfs/dbraw/zinc/46/68/28/394466828.db2.gz NSOYSFQGGACVDW-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421018031 394466833 /nfs/dbraw/zinc/46/68/33/394466833.db2.gz NSOYSFQGGACVDW-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP CC1CC[NH+](CCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000249765722 394560234 /nfs/dbraw/zinc/56/02/34/394560234.db2.gz OTRQIZTYPARYIU-OWCLPIDISA-N 2 1 267.461 2.037 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000249765722 394560237 /nfs/dbraw/zinc/56/02/37/394560237.db2.gz OTRQIZTYPARYIU-OWCLPIDISA-N 2 1 267.461 2.037 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000249765722 394560238 /nfs/dbraw/zinc/56/02/38/394560238.db2.gz OTRQIZTYPARYIU-OWCLPIDISA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCO1 ZINC000356666678 394582125 /nfs/dbraw/zinc/58/21/25/394582125.db2.gz ABFBKSNHGJKTFQ-KJWHEZOQSA-N 2 1 254.418 2.120 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC000355738659 394517327 /nfs/dbraw/zinc/51/73/27/394517327.db2.gz YYSLIHMLAOKYSL-INIZCTEOSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@]1(CO)CC(C)C ZINC000355738659 394517329 /nfs/dbraw/zinc/51/73/29/394517329.db2.gz YYSLIHMLAOKYSL-INIZCTEOSA-N 2 1 279.428 2.455 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)Nc1cc(NC2CC2)ncn1 ZINC000413311322 394523785 /nfs/dbraw/zinc/52/37/85/394523785.db2.gz OKGYBLOIQMRLHW-LLVKDONJSA-N 2 1 263.389 2.192 20 0 CEADMP C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309882054 394532992 /nfs/dbraw/zinc/53/29/92/394532992.db2.gz WOUPNQMBFBZWSI-RDJZCZTQSA-N 2 1 276.424 2.259 20 0 CEADMP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000310006333 394534547 /nfs/dbraw/zinc/53/45/47/394534547.db2.gz HVPWLLIZJLXYKX-ZDUSSCGKSA-N 2 1 299.459 2.364 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCOC(C)(C)C)CC[C@@H]21 ZINC000248181493 394537843 /nfs/dbraw/zinc/53/78/43/394537843.db2.gz WNIUIXDWLJBWHH-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCOC(C)(C)C)CC[C@@H]21 ZINC000248181493 394537845 /nfs/dbraw/zinc/53/78/45/394537845.db2.gz WNIUIXDWLJBWHH-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOC(C)(C)C)CC[C@@H]21 ZINC000248181493 394537846 /nfs/dbraw/zinc/53/78/46/394537846.db2.gz WNIUIXDWLJBWHH-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000249135036 394552597 /nfs/dbraw/zinc/55/25/97/394552597.db2.gz YPDRCBBGPHMXFB-KBPBESRZSA-N 2 1 291.439 2.126 20 0 CEADMP CN(CC1([NH+](C)C)CCC1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000356934035 394655235 /nfs/dbraw/zinc/65/52/35/394655235.db2.gz XZLOXQUTWSJQGG-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccnc1 ZINC000092746268 394661871 /nfs/dbraw/zinc/66/18/71/394661871.db2.gz NPNOEINPDKEAIV-OAHLLOKOSA-N 2 1 290.455 2.006 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)C1 ZINC000356814273 394620919 /nfs/dbraw/zinc/62/09/19/394620919.db2.gz QLTXDBHHYHFAKU-LSDHHAIUSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCCOC1 ZINC000356905227 394648380 /nfs/dbraw/zinc/64/83/80/394648380.db2.gz URWFVXAUPSBXSG-JKSUJKDBSA-N 2 1 296.455 2.036 20 0 CEADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccn(C)n1 ZINC000414199377 394729199 /nfs/dbraw/zinc/72/91/99/394729199.db2.gz WVNQFKNBNYMKIF-ZIAGYGMSSA-N 2 1 264.417 2.193 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422712769 394733998 /nfs/dbraw/zinc/73/39/98/394733998.db2.gz OQLYJLDYSZABBC-GJZGRUSLSA-N 3 1 255.450 2.216 20 0 CEADMP C[C@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422712802 394734125 /nfs/dbraw/zinc/73/41/25/394734125.db2.gz OLBMKTPUYOWRKC-QPSCCSFWSA-N 2 1 254.418 2.312 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000422722715 394740237 /nfs/dbraw/zinc/74/02/37/394740237.db2.gz YOPMAEFCBALFAG-QWHCGFSZSA-N 2 1 254.761 2.188 20 0 CEADMP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000414744065 394749409 /nfs/dbraw/zinc/74/94/09/394749409.db2.gz NZSXCCOBAQKVOA-AWEZNQCLSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000414744065 394749414 /nfs/dbraw/zinc/74/94/14/394749414.db2.gz NZSXCCOBAQKVOA-AWEZNQCLSA-N 2 1 254.418 2.123 20 0 CEADMP CCc1ccc(C[N@@H+](CCOCC[NH3+])C2CC2)cc1 ZINC000357023666 394684675 /nfs/dbraw/zinc/68/46/75/394684675.db2.gz DAWSRIUVUMUXLM-UHFFFAOYSA-N 2 1 262.397 2.189 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000414057132 394688286 /nfs/dbraw/zinc/68/82/86/394688286.db2.gz FHJOTEGQYRCRGK-DZGCQCFKSA-N 2 1 289.423 2.095 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1C ZINC000357042313 394690073 /nfs/dbraw/zinc/69/00/73/394690073.db2.gz SHGVDUUAAXAPAX-KBPBESRZSA-N 2 1 277.412 2.231 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1C ZINC000357042313 394690079 /nfs/dbraw/zinc/69/00/79/394690079.db2.gz SHGVDUUAAXAPAX-KBPBESRZSA-N 2 1 277.412 2.231 20 0 CEADMP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000357079506 394695455 /nfs/dbraw/zinc/69/54/55/394695455.db2.gz METKPKGKCUYIQQ-XJKCOSOUSA-N 2 1 260.356 2.354 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422734815 394747026 /nfs/dbraw/zinc/74/70/26/394747026.db2.gz CZMXCQXWZABQLA-RHSMWYFYSA-N 2 1 275.440 2.226 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000358215647 394711778 /nfs/dbraw/zinc/71/17/78/394711778.db2.gz ARXXQKARLIQWGC-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000358215647 394711782 /nfs/dbraw/zinc/71/17/82/394711782.db2.gz ARXXQKARLIQWGC-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358215647 394711786 /nfs/dbraw/zinc/71/17/86/394711786.db2.gz ARXXQKARLIQWGC-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422564638 394712937 /nfs/dbraw/zinc/71/29/37/394712937.db2.gz WKJSGQAKRQLVIZ-MCIONIFRSA-N 2 1 292.471 2.350 20 0 CEADMP COc1cccc(OCC[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422642308 394723060 /nfs/dbraw/zinc/72/30/60/394723060.db2.gz ZDZCENOIOWLAHY-ILXRZTDVSA-N 2 1 292.423 2.379 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422703757 394727950 /nfs/dbraw/zinc/72/79/50/394727950.db2.gz ILIXEWAVHWCATQ-HUUCEWRRSA-N 2 1 297.512 2.208 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1 ZINC000414818212 394751866 /nfs/dbraw/zinc/75/18/66/394751866.db2.gz VBEIDZJMUJENSJ-TUVASFSCSA-N 2 1 284.444 2.461 20 0 CEADMP CC(C)Cn1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000414822495 394752088 /nfs/dbraw/zinc/75/20/88/394752088.db2.gz AICNMBNWDURELS-HIFRSBDPSA-N 2 1 264.417 2.017 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422742640 394752902 /nfs/dbraw/zinc/75/29/02/394752902.db2.gz SEWYVMQWQXRAKW-XUJVJEKNSA-N 2 1 250.361 2.487 20 0 CEADMP C[N@@H+](CCN[C@H]1CCCCC[C@H]1[NH3+])C1CCCC1 ZINC000422746770 394755427 /nfs/dbraw/zinc/75/54/27/394755427.db2.gz XINXMNUWTJFSBE-CABCVRRESA-N 2 1 253.434 2.110 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000422747618 394756394 /nfs/dbraw/zinc/75/63/94/394756394.db2.gz ZBWPVFHYYKHDNH-XHSDSOJGSA-N 2 1 267.461 2.358 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422753204 394760093 /nfs/dbraw/zinc/76/00/93/394760093.db2.gz FUGLDGJMWWNAEI-OWCLPIDISA-N 2 1 281.488 2.475 20 0 CEADMP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422753204 394760096 /nfs/dbraw/zinc/76/00/96/394760096.db2.gz FUGLDGJMWWNAEI-OWCLPIDISA-N 2 1 281.488 2.475 20 0 CEADMP Fc1ccc(-n2cc(C[NH2+]C[C@H]3CCC[NH2+]C3)cn2)cc1 ZINC000414831912 394760341 /nfs/dbraw/zinc/76/03/41/394760341.db2.gz QIWCCRPFZWMFKR-ZDUSSCGKSA-N 2 1 288.370 2.101 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414834555 394761532 /nfs/dbraw/zinc/76/15/32/394761532.db2.gz SREFXGIEFVZHTQ-AWEZNQCLSA-N 2 1 278.444 2.344 20 0 CEADMP COc1ccc(OC)c(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422757225 394762983 /nfs/dbraw/zinc/76/29/83/394762983.db2.gz IKQBLGDESFXFHC-XJKSGUPXSA-N 2 1 292.423 2.367 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(OC)ccc1OC(F)F ZINC000414839704 394764386 /nfs/dbraw/zinc/76/43/86/394764386.db2.gz MKMLYISHQJCYDR-SNVBAGLBSA-N 2 1 288.338 2.242 20 0 CEADMP Cc1ccn2c(C[NH2+]CC3([NH3+])CCCCC3)cnc2c1 ZINC000414844569 394767117 /nfs/dbraw/zinc/76/71/17/394767117.db2.gz PWIQFOYKEOHTNG-UHFFFAOYSA-N 2 1 272.396 2.394 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000414953212 394823061 /nfs/dbraw/zinc/82/30/61/394823061.db2.gz JHVKFDGJEICAQX-PWSUYJOCSA-N 2 1 290.436 2.361 20 0 CEADMP CC[C@@H](NCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422767431 394769903 /nfs/dbraw/zinc/76/99/03/394769903.db2.gz SCDCCYXYBZRERC-SJORKVTESA-N 2 1 275.440 2.239 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H](C)CCC[NH3+])CC2)[nH+]1 ZINC000422768877 394771204 /nfs/dbraw/zinc/77/12/04/394771204.db2.gz VARYNIPLNDOJQW-CYBMUJFWSA-N 3 1 276.428 2.076 20 0 CEADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCC1 ZINC000119761066 394771482 /nfs/dbraw/zinc/77/14/82/394771482.db2.gz DKFALMBOHMNECF-UHFFFAOYSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000414853957 394772225 /nfs/dbraw/zinc/77/22/25/394772225.db2.gz LOYXBHPXGWUDNG-VXGBXAGGSA-N 2 1 292.814 2.465 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422769979 394772699 /nfs/dbraw/zinc/77/26/99/394772699.db2.gz VUXUNHDCOLEOJH-QKPAOTATSA-N 2 1 281.488 2.460 20 0 CEADMP C[NH2+]CCCN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414856429 394773453 /nfs/dbraw/zinc/77/34/53/394773453.db2.gz ABWTZQIIMBHGFN-ZBFHGGJFSA-N 2 1 261.413 2.021 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422771676 394773423 /nfs/dbraw/zinc/77/34/23/394773423.db2.gz XRRZEJWSNPRTCC-OIISXLGYSA-N 2 1 294.414 2.097 20 0 CEADMP C[NH2+]CCCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414857263 394774041 /nfs/dbraw/zinc/77/40/41/394774041.db2.gz CGJORPRZFWZVJO-WBVHZDCISA-N 2 1 275.440 2.239 20 0 CEADMP C[NH2+]CCCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000414859751 394774876 /nfs/dbraw/zinc/77/48/76/394774876.db2.gz NNKVALABFDKFMR-RCCFBDPRSA-N 2 1 287.451 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000414859751 394774880 /nfs/dbraw/zinc/77/48/80/394774880.db2.gz NNKVALABFDKFMR-RCCFBDPRSA-N 3 1 287.451 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000414859751 394774885 /nfs/dbraw/zinc/77/48/85/394774885.db2.gz NNKVALABFDKFMR-RCCFBDPRSA-N 3 1 287.451 2.096 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000120127653 394775904 /nfs/dbraw/zinc/77/59/04/394775904.db2.gz IRBRLUQQGIRLGL-DOTOQJQBSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1ccc(N2CCC([NH2+]C3CCC([NH3+])CC3)CC2)[nH+]c1 ZINC000422778758 394777689 /nfs/dbraw/zinc/77/76/89/394777689.db2.gz HTSGVQQGRBKCNH-UHFFFAOYSA-N 3 1 288.439 2.218 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)Oc1cccc(F)c1 ZINC000422780740 394779859 /nfs/dbraw/zinc/77/98/59/394779859.db2.gz DHIYFSOSUMVOMS-XUJVJEKNSA-N 2 1 266.360 2.323 20 0 CEADMP COCC1(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCC1 ZINC000361318101 394823828 /nfs/dbraw/zinc/82/38/28/394823828.db2.gz HMHVXMHGNVBGSY-OAHLLOKOSA-N 2 1 266.429 2.221 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN(CCC1CCCCC1)CC(N)=O ZINC000120686919 394782624 /nfs/dbraw/zinc/78/26/24/394782624.db2.gz KGBIIJYDKFVCNQ-MRXNPFEDSA-N 2 1 295.471 2.228 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422784213 394782796 /nfs/dbraw/zinc/78/27/96/394782796.db2.gz NSNNRNZXQWNHOM-LSDHHAIUSA-N 3 1 264.417 2.079 20 0 CEADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CC(C)C)cc1 ZINC000414876439 394783252 /nfs/dbraw/zinc/78/32/52/394783252.db2.gz DLZWEPOUNXZHNI-HOTGVXAUSA-N 2 1 262.397 2.386 20 0 CEADMP C[C@@H](CC[NH3+])[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000414876417 394783424 /nfs/dbraw/zinc/78/34/24/394783424.db2.gz DLFRJUZPKNCRQU-VIFPVBQESA-N 2 1 266.776 2.054 20 0 CEADMP CCC[NH2+]CC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000414877607 394784354 /nfs/dbraw/zinc/78/43/54/394784354.db2.gz YBZYCRMFSMUIOU-HNNXBMFYSA-N 2 1 262.397 2.142 20 0 CEADMP C[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1)C1C[NH2+]C1 ZINC000422789019 394786758 /nfs/dbraw/zinc/78/67/58/394786758.db2.gz SVGDMMIRDJVTEJ-IUIKQTSFSA-N 2 1 278.371 2.243 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422788487 394787006 /nfs/dbraw/zinc/78/70/06/394787006.db2.gz AVCIHEPOXJYFOY-BBWFWOEESA-N 2 1 279.472 2.358 20 0 CEADMP Cc1cccc(O[C@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422790613 394787836 /nfs/dbraw/zinc/78/78/36/394787836.db2.gz PLRDBVZPTRMQRL-YCPHGPKFSA-N 2 1 262.397 2.492 20 0 CEADMP COCCCOc1cccc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000414891138 394791302 /nfs/dbraw/zinc/79/13/02/394791302.db2.gz VEZGLVLRBCUPSE-UHFFFAOYSA-N 2 1 278.396 2.073 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414897610 394794456 /nfs/dbraw/zinc/79/44/56/394794456.db2.gz DZXLGSVZXFXJME-INIZCTEOSA-N 2 1 275.396 2.124 20 0 CEADMP C[C@@H](NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422800711 394795689 /nfs/dbraw/zinc/79/56/89/394795689.db2.gz CREHYVRIEKNHON-KWCYVHTRSA-N 2 1 267.442 2.081 20 0 CEADMP C(C1CCCC1)[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422799665 394795778 /nfs/dbraw/zinc/79/57/78/394795778.db2.gz XYEQWAHEGBZQAC-LVYZTWJOSA-N 2 1 277.456 2.124 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)C1CC1 ZINC000414901793 394796776 /nfs/dbraw/zinc/79/67/76/394796776.db2.gz XLTUGZVZYTWEKR-AWEZNQCLSA-N 2 1 274.343 2.043 20 0 CEADMP C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1c[nH+]ccc1N ZINC000422803747 394798860 /nfs/dbraw/zinc/79/88/60/394798860.db2.gz GMRIUSSXWPAXEG-WCQYABFASA-N 2 1 269.348 2.148 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NCCC[N@@H+](C)C1CCCCC1 ZINC000422804113 394799115 /nfs/dbraw/zinc/79/91/15/394799115.db2.gz KAPYNLBFBQVQQS-KBPBESRZSA-N 2 1 255.450 2.356 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000422804113 394799117 /nfs/dbraw/zinc/79/91/17/394799117.db2.gz KAPYNLBFBQVQQS-KBPBESRZSA-N 3 1 255.450 2.356 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000422804113 394799119 /nfs/dbraw/zinc/79/91/19/394799119.db2.gz KAPYNLBFBQVQQS-KBPBESRZSA-N 3 1 255.450 2.356 20 0 CEADMP CO[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)C(C)(C)C ZINC000422803570 394799182 /nfs/dbraw/zinc/79/91/82/394799182.db2.gz CYFDUWWXLYDROH-GWCFXTLKSA-N 2 1 251.374 2.206 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000121939758 394806221 /nfs/dbraw/zinc/80/62/21/394806221.db2.gz LGFSVUXHUOWNND-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H](CC(C)C)[NH+](C)C ZINC000422815483 394807496 /nfs/dbraw/zinc/80/74/96/394807496.db2.gz BWVJYODNWKOWLH-CZUORRHYSA-N 2 1 292.471 2.476 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000414957798 394825407 /nfs/dbraw/zinc/82/54/07/394825407.db2.gz OSOMNEQODCHNDV-IUODEOHRSA-N 2 1 270.380 2.164 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000422818512 394809860 /nfs/dbraw/zinc/80/98/60/394809860.db2.gz GNRIXKKSKKYFDP-ZIAGYGMSSA-N 3 1 267.461 2.499 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414945327 394816473 /nfs/dbraw/zinc/81/64/73/394816473.db2.gz QBTSKVLDJDGFLJ-RYUDHWBXSA-N 2 1 297.830 2.014 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414948306 394818368 /nfs/dbraw/zinc/81/83/68/394818368.db2.gz XAVIHWAZFSKSIH-RYUDHWBXSA-N 2 1 297.830 2.014 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422836357 394820166 /nfs/dbraw/zinc/82/01/66/394820166.db2.gz JSYUMYLVULCRTR-WBVHZDCISA-N 3 1 281.488 2.332 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000422929107 394865016 /nfs/dbraw/zinc/86/50/16/394865016.db2.gz OHKAPPLGFAJVFK-AUTRQRHGSA-N 2 1 254.761 2.489 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)C1CCCC1 ZINC000415055070 394867394 /nfs/dbraw/zinc/86/73/94/394867394.db2.gz QUEAMVWKSWTCHX-QGZVFWFLSA-N 2 1 284.407 2.479 20 0 CEADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)CC2 ZINC000422945391 394867730 /nfs/dbraw/zinc/86/77/30/394867730.db2.gz UJXUCYVCJGWQFH-YUELXQCFSA-N 2 1 276.428 2.051 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C[C@@H]1C ZINC000415064693 394871172 /nfs/dbraw/zinc/87/11/72/394871172.db2.gz LCNASAHCJVYDFJ-HNKHHVNMSA-N 2 1 296.455 2.461 20 0 CEADMP C[C@H]([NH2+]C[C@@](C)(CO)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423083416 394885561 /nfs/dbraw/zinc/88/55/61/394885561.db2.gz YUWDUTKHYLIXJL-SZMVWBNQSA-N 2 1 290.451 2.348 20 0 CEADMP Cc1cncc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423008585 394878735 /nfs/dbraw/zinc/87/87/35/394878735.db2.gz ALIQUMBFYJTHNA-WMLDXEAASA-N 2 1 269.392 2.438 20 0 CEADMP C[C@H]([NH2+]CCSCC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423011586 394881628 /nfs/dbraw/zinc/88/16/28/394881628.db2.gz BATWBXNJCYTIEB-UWVGGRQHSA-N 2 1 270.364 2.402 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000414961167 394827042 /nfs/dbraw/zinc/82/70/42/394827042.db2.gz RPVJWORAWSUKKY-FZMZJTMJSA-N 2 1 271.364 2.028 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000278369967 394829646 /nfs/dbraw/zinc/82/96/46/394829646.db2.gz SJEIFXPXXVHKNB-MRXNPFEDSA-N 2 1 293.411 2.103 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000278369967 394829650 /nfs/dbraw/zinc/82/96/50/394829650.db2.gz SJEIFXPXXVHKNB-MRXNPFEDSA-N 2 1 293.411 2.103 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000414974335 394832762 /nfs/dbraw/zinc/83/27/62/394832762.db2.gz JVSYEASCBMKAIQ-ARFHVFGLSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414981988 394835988 /nfs/dbraw/zinc/83/59/88/394835988.db2.gz YLNSRANATUTCLP-WBVHZDCISA-N 2 1 289.467 2.236 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)N[C@@H]2CC[NH2+]C2)cc1 ZINC000422868927 394840356 /nfs/dbraw/zinc/84/03/56/394840356.db2.gz VWOJBIDORFXUTG-IUODEOHRSA-N 2 1 270.380 2.193 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422873011 394842719 /nfs/dbraw/zinc/84/27/19/394842719.db2.gz JLYVAWQMSZPTMY-XOSAIJSUSA-N 2 1 276.424 2.271 20 0 CEADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422874072 394842875 /nfs/dbraw/zinc/84/28/75/394842875.db2.gz CCGJYIBQLIESAJ-LSDHHAIUSA-N 2 1 275.396 2.395 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000422877106 394844614 /nfs/dbraw/zinc/84/46/14/394844614.db2.gz QZSFURQQSMJYJD-PNBKFKSVSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000422877106 394844617 /nfs/dbraw/zinc/84/46/17/394844617.db2.gz QZSFURQQSMJYJD-PNBKFKSVSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423025813 394883603 /nfs/dbraw/zinc/88/36/03/394883603.db2.gz ACBIBFORWMHDLC-HYVNUMGLSA-N 2 1 276.424 2.100 20 0 CEADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422878398 394845993 /nfs/dbraw/zinc/84/59/93/394845993.db2.gz SXIWXNRWRYEAPK-DEORAPPZSA-N 2 1 291.483 2.370 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422878398 394845995 /nfs/dbraw/zinc/84/59/95/394845995.db2.gz SXIWXNRWRYEAPK-DEORAPPZSA-N 2 1 291.483 2.370 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422880335 394846851 /nfs/dbraw/zinc/84/68/51/394846851.db2.gz WTUZDZQRLCDUAD-BEMMVCDISA-N 2 1 271.408 2.204 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)[C@H](C)[NH3+] ZINC000415008947 394847260 /nfs/dbraw/zinc/84/72/60/394847260.db2.gz NLQSTJGGIYHUOJ-VHSXEESVSA-N 2 1 258.312 2.156 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423025815 394883759 /nfs/dbraw/zinc/88/37/59/394883759.db2.gz ACBIBFORWMHDLC-PVAVHDDUSA-N 2 1 276.424 2.100 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280359864 394847564 /nfs/dbraw/zinc/84/75/64/394847564.db2.gz TUDNDIJPAJBGAV-KRWDZBQOSA-N 2 1 291.439 2.481 20 0 CEADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422887481 394850091 /nfs/dbraw/zinc/85/00/91/394850091.db2.gz YVHJDOLLWMPIMH-UIJGJVKASA-N 3 1 279.472 2.227 20 0 CEADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]2[NH3+])n1 ZINC000422888125 394851317 /nfs/dbraw/zinc/85/13/17/394851317.db2.gz MDKLGHHDIQABQE-HZPDHXFCSA-N 2 1 284.407 2.459 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)C1C[NH2+]C1 ZINC000422889302 394852162 /nfs/dbraw/zinc/85/21/62/394852162.db2.gz FQDUZHJAORQSJK-AWEZNQCLSA-N 2 1 288.439 2.015 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000281243836 394853724 /nfs/dbraw/zinc/85/37/24/394853724.db2.gz GITLTQSKVMRHCH-SJORKVTESA-N 2 1 274.408 2.062 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000281243836 394853725 /nfs/dbraw/zinc/85/37/25/394853725.db2.gz GITLTQSKVMRHCH-SJORKVTESA-N 2 1 274.408 2.062 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000128425426 394853787 /nfs/dbraw/zinc/85/37/87/394853787.db2.gz ZLCLTCAVOUIBEB-ZFWWWQNUSA-N 2 1 283.460 2.129 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000128425426 394853790 /nfs/dbraw/zinc/85/37/90/394853790.db2.gz ZLCLTCAVOUIBEB-ZFWWWQNUSA-N 2 1 283.460 2.129 20 0 CEADMP COCCOc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422894465 394854143 /nfs/dbraw/zinc/85/41/43/394854143.db2.gz CHRUEIGOCFJYFE-DLBZAZTESA-N 2 1 292.423 2.461 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422906840 394858645 /nfs/dbraw/zinc/85/86/45/394858645.db2.gz KLPQNFPVPRNBEM-RBSFLKMASA-N 2 1 253.434 2.110 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422906840 394858647 /nfs/dbraw/zinc/85/86/47/394858647.db2.gz KLPQNFPVPRNBEM-RBSFLKMASA-N 2 1 253.434 2.110 20 0 CEADMP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415040233 394859454 /nfs/dbraw/zinc/85/94/54/394859454.db2.gz OSCKYCFYHNNPLB-WMZOPIPTSA-N 3 1 287.451 2.368 20 0 CEADMP C[C@@H](NC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422910527 394859603 /nfs/dbraw/zinc/85/96/03/394859603.db2.gz QYJBOHVOYTYWKE-UXLLHSPISA-N 2 1 275.440 2.237 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C12CCCCC2 ZINC000422916634 394862116 /nfs/dbraw/zinc/86/21/16/394862116.db2.gz BEDNBIOIAWJAED-BFHYXJOUSA-N 2 1 252.402 2.066 20 0 CEADMP COCc1ccccc1C[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415093819 394886749 /nfs/dbraw/zinc/88/67/49/394886749.db2.gz WDLZLEYSEIBGFV-HNNXBMFYSA-N 2 1 250.386 2.296 20 0 CEADMP CC(C)OC(=O)C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC000415094860 394887707 /nfs/dbraw/zinc/88/77/07/394887707.db2.gz FSNAMEDLZDSYLX-MRXNPFEDSA-N 2 1 290.407 2.411 20 0 CEADMP C[NH2+]CCCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423208596 394888398 /nfs/dbraw/zinc/88/83/98/394888398.db2.gz ZKAHKZYFLWTGIN-HOTGVXAUSA-N 2 1 261.413 2.021 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423268605 394888922 /nfs/dbraw/zinc/88/89/22/394888922.db2.gz GQFQLBYIGXDACY-ZACQAIPSSA-N 2 1 275.440 2.395 20 0 CEADMP C[C@@H](C[N@@H+]1CCCO[C@@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000415108321 394892211 /nfs/dbraw/zinc/89/22/11/394892211.db2.gz MEOVFYLDPLEECT-WFASDCNBSA-N 2 1 282.815 2.493 20 0 CEADMP C[C@@H](C[N@H+]1CCCO[C@@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000415108321 394892215 /nfs/dbraw/zinc/89/22/15/394892215.db2.gz MEOVFYLDPLEECT-WFASDCNBSA-N 2 1 282.815 2.493 20 0 CEADMP C[C@@H]1C[C@H](NCC[NH+](C)C2CCCC2)C[N@H+]1C1CC1 ZINC000130693994 394893374 /nfs/dbraw/zinc/89/33/74/394893374.db2.gz LRMBWURQMJHHOF-KGLIPLIRSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](NCC[N@H+](C)C2CCCC2)C[NH+]1C1CC1 ZINC000130693994 394893377 /nfs/dbraw/zinc/89/33/77/394893377.db2.gz LRMBWURQMJHHOF-KGLIPLIRSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](NCC[N@@H+](C)C2CCCC2)C[NH+]1C1CC1 ZINC000130693994 394893381 /nfs/dbraw/zinc/89/33/81/394893381.db2.gz LRMBWURQMJHHOF-KGLIPLIRSA-N 2 1 265.445 2.076 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000423353936 394899059 /nfs/dbraw/zinc/89/90/59/394899059.db2.gz FIUMXWDVIXCWDC-XHSDSOJGSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415137192 394901282 /nfs/dbraw/zinc/90/12/82/394901282.db2.gz XXRYIGWVKJECJV-HIFRSBDPSA-N 2 1 279.432 2.056 20 0 CEADMP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H](C)C[NH3+] ZINC000423364121 394901564 /nfs/dbraw/zinc/90/15/64/394901564.db2.gz JNSHMLWGGPYSEV-ZFWWWQNUSA-N 2 1 250.386 2.165 20 0 CEADMP c1ccc(C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)c2cccnc2)nc1 ZINC000423366206 394902140 /nfs/dbraw/zinc/90/21/40/394902140.db2.gz PYHYDUFXXIBXRZ-SJLPKXTDSA-N 2 1 296.418 2.492 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000423368308 394903577 /nfs/dbraw/zinc/90/35/77/394903577.db2.gz ZLKYWWWIYLLAHF-OAGGEKHMSA-N 2 1 297.487 2.377 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423367656 394903660 /nfs/dbraw/zinc/90/36/60/394903660.db2.gz DNGHPERFIXZZAN-JKSUJKDBSA-N 2 1 295.471 2.275 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423367653 394903689 /nfs/dbraw/zinc/90/36/89/394903689.db2.gz DNGHPERFIXZZAN-CVEARBPZSA-N 2 1 295.471 2.275 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000423376425 394906841 /nfs/dbraw/zinc/90/68/41/394906841.db2.gz JFJLNBGKTNCPQR-JFGNBEQYSA-N 2 1 282.409 2.326 20 0 CEADMP CC(C)[N@@H+](C)CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423392732 394912893 /nfs/dbraw/zinc/91/28/93/394912893.db2.gz LYIOLBYITXWHPE-HNNXBMFYSA-N 2 1 291.439 2.169 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000131763140 394917833 /nfs/dbraw/zinc/91/78/33/394917833.db2.gz GBGSMKCVGPAMIL-UONOGXRCSA-N 2 1 270.380 2.041 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000131736837 394918426 /nfs/dbraw/zinc/91/84/26/394918426.db2.gz HKSOJPQKARBBKI-UHFFFAOYSA-N 2 1 297.443 2.116 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423422087 394919112 /nfs/dbraw/zinc/91/91/12/394919112.db2.gz CRTAUVFRJJMJMK-CYBMUJFWSA-N 2 1 277.412 2.168 20 0 CEADMP COC[C@H](C)C[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000131889252 394921240 /nfs/dbraw/zinc/92/12/40/394921240.db2.gz HNQHINMDWNEXPG-KFWWJZLASA-N 2 1 256.434 2.369 20 0 CEADMP Cc1ncccc1O[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000365228589 394922728 /nfs/dbraw/zinc/92/27/28/394922728.db2.gz OHRDXUOZLUVWKC-HOTGVXAUSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ncccc1O[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000365228589 394922729 /nfs/dbraw/zinc/92/27/29/394922729.db2.gz OHRDXUOZLUVWKC-HOTGVXAUSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ncccc1O[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000365228589 394922732 /nfs/dbraw/zinc/92/27/32/394922732.db2.gz OHRDXUOZLUVWKC-HOTGVXAUSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ncccc1O[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000365228589 394922734 /nfs/dbraw/zinc/92/27/34/394922734.db2.gz OHRDXUOZLUVWKC-HOTGVXAUSA-N 2 1 289.423 2.327 20 0 CEADMP C[C@@H](Cc1ccoc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423508273 394940111 /nfs/dbraw/zinc/94/01/11/394940111.db2.gz KPMOTPJLJQVUDR-OOHWJJMZSA-N 2 1 291.439 2.017 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC2)C[C@@H]1c1ccccc1 ZINC000340237554 394981629 /nfs/dbraw/zinc/98/16/29/394981629.db2.gz OILBRHYKAVPGIL-HZPDHXFCSA-N 2 1 274.408 2.327 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC2)C[C@@H]1c1ccccc1 ZINC000340237554 394981631 /nfs/dbraw/zinc/98/16/31/394981631.db2.gz OILBRHYKAVPGIL-HZPDHXFCSA-N 2 1 274.408 2.327 20 0 CEADMP CO[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340366633 394984150 /nfs/dbraw/zinc/98/41/50/394984150.db2.gz TYLWHBXRLLZMGY-VNQPRFMTSA-N 2 1 262.397 2.446 20 0 CEADMP CO[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340366633 394984153 /nfs/dbraw/zinc/98/41/53/394984153.db2.gz TYLWHBXRLLZMGY-VNQPRFMTSA-N 2 1 262.397 2.446 20 0 CEADMP C(CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CC[NH+]1CCCC1 ZINC000340475362 394985989 /nfs/dbraw/zinc/98/59/89/394985989.db2.gz ACKIILFVZXKLJL-DLBZAZTESA-N 3 1 279.472 2.469 20 0 CEADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415953828 394986695 /nfs/dbraw/zinc/98/66/95/394986695.db2.gz HMKJXLDUBVSWHU-OAHLLOKOSA-N 2 1 290.411 2.093 20 0 CEADMP COCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000369905764 395003434 /nfs/dbraw/zinc/00/34/34/395003434.db2.gz GNBLPSQUWHUAOW-DOTOQJQBSA-N 2 1 276.424 2.475 20 0 CEADMP COCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000369905764 395003437 /nfs/dbraw/zinc/00/34/37/395003437.db2.gz GNBLPSQUWHUAOW-DOTOQJQBSA-N 2 1 276.424 2.475 20 0 CEADMP COCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000369905764 395003440 /nfs/dbraw/zinc/00/34/40/395003440.db2.gz GNBLPSQUWHUAOW-DOTOQJQBSA-N 2 1 276.424 2.475 20 0 CEADMP COCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000369905764 395003445 /nfs/dbraw/zinc/00/34/45/395003445.db2.gz GNBLPSQUWHUAOW-DOTOQJQBSA-N 2 1 276.424 2.475 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1-n1ccnn1 ZINC000286107155 395013586 /nfs/dbraw/zinc/01/35/86/395013586.db2.gz MXGFLMQYPRELGJ-CQSZACIVSA-N 2 1 297.406 2.180 20 0 CEADMP Cc1cnn(CCCCC[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000367423726 394963096 /nfs/dbraw/zinc/96/30/96/394963096.db2.gz MXEJYYFNVKSJJQ-SJORKVTESA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000367423726 394963097 /nfs/dbraw/zinc/96/30/97/394963097.db2.gz MXEJYYFNVKSJJQ-SJORKVTESA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000367423726 394963101 /nfs/dbraw/zinc/96/31/01/394963101.db2.gz MXEJYYFNVKSJJQ-SJORKVTESA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000367423726 394963104 /nfs/dbraw/zinc/96/31/04/394963104.db2.gz MXEJYYFNVKSJJQ-SJORKVTESA-N 2 1 290.455 2.388 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000423753541 394976406 /nfs/dbraw/zinc/97/64/06/394976406.db2.gz BXRFEMNYXFBFEM-HOCLYGCPSA-N 2 1 291.439 2.313 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000415921678 394978675 /nfs/dbraw/zinc/97/86/75/394978675.db2.gz MOQTYBJMZYSONM-JSGCOSHPSA-N 2 1 290.411 2.010 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2C=CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343978695 395047782 /nfs/dbraw/zinc/04/77/82/395047782.db2.gz KUBBBINRWSNUNY-IKGGRYGDSA-N 2 1 277.456 2.053 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000158829672 395054514 /nfs/dbraw/zinc/05/45/14/395054514.db2.gz BGWWZSAYQINKQF-GJZGRUSLSA-N 2 1 276.428 2.268 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000158829672 395054516 /nfs/dbraw/zinc/05/45/16/395054516.db2.gz BGWWZSAYQINKQF-GJZGRUSLSA-N 2 1 276.428 2.268 20 0 CEADMP CC1CC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000375848018 395100297 /nfs/dbraw/zinc/10/02/97/395100297.db2.gz CHRMWZCXCGNWLL-GVDBMIGSSA-N 2 1 279.472 2.181 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000375848018 395100300 /nfs/dbraw/zinc/10/03/00/395100300.db2.gz CHRMWZCXCGNWLL-GVDBMIGSSA-N 2 1 279.472 2.181 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000375848018 395100303 /nfs/dbraw/zinc/10/03/03/395100303.db2.gz CHRMWZCXCGNWLL-GVDBMIGSSA-N 2 1 279.472 2.181 20 0 CEADMP CC[N@H+]1CC[C@H](NCCC[NH+](C)C(C)C)[C@H](C)C1 ZINC000345240673 395064324 /nfs/dbraw/zinc/06/43/24/395064324.db2.gz UHAYVTXBGKJAJB-CABCVRRESA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+]1CC[C@H](NCCC[N@H+](C)C(C)C)[C@H](C)C1 ZINC000345240673 395064329 /nfs/dbraw/zinc/06/43/29/395064329.db2.gz UHAYVTXBGKJAJB-CABCVRRESA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+]1CC[C@H](NCCC[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000345240673 395064333 /nfs/dbraw/zinc/06/43/33/395064333.db2.gz UHAYVTXBGKJAJB-CABCVRRESA-N 2 1 255.450 2.037 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH+](C)C(C)C)[C@H](C)C1 ZINC000345240673 395064337 /nfs/dbraw/zinc/06/43/37/395064337.db2.gz UHAYVTXBGKJAJB-CABCVRRESA-N 3 1 255.450 2.037 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC[NH+](C)C(C)C)[C@H](C)C1 ZINC000345240673 395064342 /nfs/dbraw/zinc/06/43/42/395064342.db2.gz UHAYVTXBGKJAJB-CABCVRRESA-N 3 1 255.450 2.037 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)[C@H](C)C1 ZINC000345240673 395064345 /nfs/dbraw/zinc/06/43/45/395064345.db2.gz UHAYVTXBGKJAJB-CABCVRRESA-N 3 1 255.450 2.037 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000345240673 395064347 /nfs/dbraw/zinc/06/43/47/395064347.db2.gz UHAYVTXBGKJAJB-CABCVRRESA-N 3 1 255.450 2.037 20 0 CEADMP Cc1nccn1CCC[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000162267267 395072870 /nfs/dbraw/zinc/07/28/70/395072870.db2.gz PTRGMDHSEHIQNU-HNNXBMFYSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000162267267 395072872 /nfs/dbraw/zinc/07/28/72/395072872.db2.gz PTRGMDHSEHIQNU-HNNXBMFYSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000162267267 395072874 /nfs/dbraw/zinc/07/28/74/395072874.db2.gz PTRGMDHSEHIQNU-HNNXBMFYSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@H](C)CCC[C@@H]1CO ZINC000162573235 395077306 /nfs/dbraw/zinc/07/73/06/395077306.db2.gz SLQKRDYVFOYLTD-UKRRQHHQSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@H](C)CCC[C@@H]1CO ZINC000162573235 395077308 /nfs/dbraw/zinc/07/73/08/395077308.db2.gz SLQKRDYVFOYLTD-UKRRQHHQSA-N 2 1 265.401 2.207 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCC[C@H]1C ZINC000426788985 395079830 /nfs/dbraw/zinc/07/98/30/395079830.db2.gz QRCIWMDJQGYCLK-LSDHHAIUSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000426788985 395079832 /nfs/dbraw/zinc/07/98/32/395079832.db2.gz QRCIWMDJQGYCLK-LSDHHAIUSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000426788985 395079835 /nfs/dbraw/zinc/07/98/35/395079835.db2.gz QRCIWMDJQGYCLK-LSDHHAIUSA-N 2 1 283.460 2.096 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnc(C)nc2C)C1 ZINC000163249526 395082254 /nfs/dbraw/zinc/08/22/54/395082254.db2.gz WJXSWMSJFJYHOT-SMDDNHRTSA-N 2 1 262.401 2.086 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnc(C)nc2C)C1 ZINC000163249526 395082258 /nfs/dbraw/zinc/08/22/58/395082258.db2.gz WJXSWMSJFJYHOT-SMDDNHRTSA-N 2 1 262.401 2.086 20 0 CEADMP C[C@H]1C[C@@H](NCc2cn(C)nc2C(C)(C)C)CC[N@H+]1C ZINC000158147082 395039906 /nfs/dbraw/zinc/03/99/06/395039906.db2.gz MIZXHAXOESJDIZ-JSGCOSHPSA-N 2 1 278.444 2.290 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C(C)(C)C)CCN1C ZINC000158147082 395039908 /nfs/dbraw/zinc/03/99/08/395039908.db2.gz MIZXHAXOESJDIZ-JSGCOSHPSA-N 2 1 278.444 2.290 20 0 CEADMP CCCC[C@H](C)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000343504938 395040002 /nfs/dbraw/zinc/04/00/02/395040002.db2.gz CXFODYZONZOXCI-HRCADAONSA-N 2 1 297.487 2.378 20 0 CEADMP CCCCOCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343754820 395045010 /nfs/dbraw/zinc/04/50/10/395045010.db2.gz WUEIVENCUZJGBQ-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP CCCCOCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343754820 395045012 /nfs/dbraw/zinc/04/50/12/395045012.db2.gz WUEIVENCUZJGBQ-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000427495873 395116867 /nfs/dbraw/zinc/11/68/67/395116867.db2.gz QRCIWMDJQGYCLK-CABCVRRESA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000427495873 395116868 /nfs/dbraw/zinc/11/68/68/395116868.db2.gz QRCIWMDJQGYCLK-CABCVRRESA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000427495873 395116872 /nfs/dbraw/zinc/11/68/72/395116872.db2.gz QRCIWMDJQGYCLK-CABCVRRESA-N 2 1 283.460 2.096 20 0 CEADMP CSc1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428031162 395132592 /nfs/dbraw/zinc/13/25/92/395132592.db2.gz GDALIKJBSDIDSR-CZUORRHYSA-N 2 1 292.448 2.471 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428031162 395132598 /nfs/dbraw/zinc/13/25/98/395132598.db2.gz GDALIKJBSDIDSR-CZUORRHYSA-N 2 1 292.448 2.471 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCCCO2)CC[N@@H+]1C ZINC000347429668 395123467 /nfs/dbraw/zinc/12/34/67/395123467.db2.gz BWPDGWQFFCFADR-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCCCO2)CC[N@H+]1C ZINC000347429668 395123473 /nfs/dbraw/zinc/12/34/73/395123473.db2.gz BWPDGWQFFCFADR-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CCCCO2)CC[NH+]1C ZINC000347429668 395123479 /nfs/dbraw/zinc/12/34/79/395123479.db2.gz BWPDGWQFFCFADR-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CCCCO2)CC[NH+]1C ZINC000347429668 395123483 /nfs/dbraw/zinc/12/34/83/395123483.db2.gz BWPDGWQFFCFADR-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000494651010 395131157 /nfs/dbraw/zinc/13/11/57/395131157.db2.gz AEBIBYGBBWIRRL-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]1CCc2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)sc2C1 ZINC000346819395 395107999 /nfs/dbraw/zinc/10/79/99/395107999.db2.gz BRHIJRNQQHIFPA-MROQNXINSA-N 2 1 291.464 2.437 20 0 CEADMP C[C@@H]1CCc2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)sc2C1 ZINC000346819395 395108006 /nfs/dbraw/zinc/10/80/06/395108006.db2.gz BRHIJRNQQHIFPA-MROQNXINSA-N 2 1 291.464 2.437 20 0 CEADMP C[C@H](C[NH2+]Cc1cncc(Br)c1)C[NH+](C)C ZINC000291650242 395149958 /nfs/dbraw/zinc/14/99/58/395149958.db2.gz CPJNBABAPMTCOE-SNVBAGLBSA-N 2 1 286.217 2.131 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2COc3cccc(F)c32)CC[N@H+]1C ZINC000378630967 395157870 /nfs/dbraw/zinc/15/78/70/395157870.db2.gz IWISCLYRNCQGFH-MDZLAQPJSA-N 2 1 264.344 2.332 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000380934931 395169976 /nfs/dbraw/zinc/16/99/76/395169976.db2.gz WJPNJWYQWSKPIS-GDBMZVCRSA-N 2 1 262.397 2.435 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000381017652 395170991 /nfs/dbraw/zinc/17/09/91/395170991.db2.gz LDLSVVLYASOBIY-FVQBIDKESA-N 2 1 262.397 2.433 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CC[C@@H]1CCOC1 ZINC000400590273 395253115 /nfs/dbraw/zinc/25/31/15/395253115.db2.gz CXMDJVKHWSNBQK-LSDHHAIUSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@H](C[NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398217975 395230818 /nfs/dbraw/zinc/23/08/18/395230818.db2.gz VGEPOSHBGWTBAV-HLLBOEOZSA-N 2 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398217975 395230822 /nfs/dbraw/zinc/23/08/22/395230822.db2.gz VGEPOSHBGWTBAV-HLLBOEOZSA-N 3 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398217975 395230828 /nfs/dbraw/zinc/23/08/28/395230828.db2.gz VGEPOSHBGWTBAV-HLLBOEOZSA-N 3 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398217975 395230834 /nfs/dbraw/zinc/23/08/34/395230834.db2.gz VGEPOSHBGWTBAV-HLLBOEOZSA-N 2 1 275.440 2.081 20 0 CEADMP CO[C@@H](C[NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000400273996 395251279 /nfs/dbraw/zinc/25/12/79/395251279.db2.gz YDEDDWPBVVZEDS-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000394427569 395205594 /nfs/dbraw/zinc/20/55/94/395205594.db2.gz IDGRBOKFZGYEDI-CRAIPNDOSA-N 2 1 298.434 2.348 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000394427569 395205596 /nfs/dbraw/zinc/20/55/96/395205596.db2.gz IDGRBOKFZGYEDI-CRAIPNDOSA-N 2 1 298.434 2.348 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397317305 395222605 /nfs/dbraw/zinc/22/26/05/395222605.db2.gz RMWXLJQSKYIBDP-FXUDXRNXSA-N 2 1 295.471 2.083 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397317305 395222609 /nfs/dbraw/zinc/22/26/09/395222609.db2.gz RMWXLJQSKYIBDP-FXUDXRNXSA-N 2 1 295.471 2.083 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397317309 395223244 /nfs/dbraw/zinc/22/32/44/395223244.db2.gz RMWXLJQSKYIBDP-XUWVNRHRSA-N 2 1 295.471 2.083 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397317309 395223245 /nfs/dbraw/zinc/22/32/45/395223245.db2.gz RMWXLJQSKYIBDP-XUWVNRHRSA-N 2 1 295.471 2.083 20 0 CEADMP [NH3+][C@H](CC(=O)N1CC[NH2+]Cc2ccccc21)c1ccccc1 ZINC000294976680 395281967 /nfs/dbraw/zinc/28/19/67/395281967.db2.gz GTBNUFUEWRZFAB-MRXNPFEDSA-N 2 1 295.386 2.213 20 0 CEADMP C[C@@H](C[NH2+]Cc1ccns1)C[NH+]1CCCCC1 ZINC000404412174 395282960 /nfs/dbraw/zinc/28/29/60/395282960.db2.gz KAUZBPVBQGMCBR-LBPRGKRZSA-N 2 1 253.415 2.355 20 0 CEADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353613857 395303229 /nfs/dbraw/zinc/30/32/29/395303229.db2.gz QFGQHSXQBJTFTJ-FZKCQIBNSA-N 2 1 280.456 2.246 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](C)[C@@H]2C)cc1 ZINC000420297530 395304720 /nfs/dbraw/zinc/30/47/20/395304720.db2.gz GDDCRVYDNPRGPG-KCQAQPDRSA-N 2 1 262.397 2.468 20 0 CEADMP CO[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C(F)(F)F ZINC000353682553 395305969 /nfs/dbraw/zinc/30/59/69/395305969.db2.gz OCTKNWLOYQZDMZ-UMSGYPCISA-N 2 1 294.361 2.416 20 0 CEADMP C[C@H]([NH3+])C[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000420303609 395307206 /nfs/dbraw/zinc/30/72/06/395307206.db2.gz KUIHZURINOZIFN-NSHDSACASA-N 2 1 256.777 2.388 20 0 CEADMP C[C@H]([NH3+])C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000420303609 395307210 /nfs/dbraw/zinc/30/72/10/395307210.db2.gz KUIHZURINOZIFN-NSHDSACASA-N 2 1 256.777 2.388 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cs1 ZINC000420306777 395311510 /nfs/dbraw/zinc/31/15/10/395311510.db2.gz BISYTHIEPANLIU-UONOGXRCSA-N 2 1 250.411 2.365 20 0 CEADMP COC(=O)c1cc2cc(C[NH2+]CC3([NH3+])CCC3)ccc2o1 ZINC000420307843 395313335 /nfs/dbraw/zinc/31/33/35/395313335.db2.gz MVVJDHKBACYWMD-UHFFFAOYSA-N 2 1 288.347 2.190 20 0 CEADMP c1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)oc1C1CC1 ZINC000420311727 395314836 /nfs/dbraw/zinc/31/48/36/395314836.db2.gz HOJXEBHWBPMKFA-AWEZNQCLSA-N 2 1 275.396 2.374 20 0 CEADMP CC(C)(C)CCN1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420309790 395314960 /nfs/dbraw/zinc/31/49/60/395314960.db2.gz FGXAAPSNEPETSI-OAHLLOKOSA-N 2 1 267.461 2.040 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000420313467 395318301 /nfs/dbraw/zinc/31/83/01/395318301.db2.gz UALNEUMDBMRIIE-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000420313467 395318307 /nfs/dbraw/zinc/31/83/07/395318307.db2.gz UALNEUMDBMRIIE-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cn3)C[C@@H]12 ZINC000420315179 395319404 /nfs/dbraw/zinc/31/94/04/395319404.db2.gz WPDVHNJOQJNPOP-ZWKOPEQDSA-N 2 1 285.313 2.270 20 0 CEADMP CC[N@@H+](CCCc1ccncc1)[C@@H]1CCC[NH2+]CC1 ZINC000420317000 395319568 /nfs/dbraw/zinc/31/95/68/395319568.db2.gz UERCOWPJPDKXIQ-MRXNPFEDSA-N 2 1 261.413 2.478 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420324533 395327514 /nfs/dbraw/zinc/32/75/14/395327514.db2.gz ZUNBASOSRHCIIB-HZPDHXFCSA-N 2 1 274.408 2.312 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000419292568 395255548 /nfs/dbraw/zinc/25/55/48/395255548.db2.gz TVXCRQGEXDYDIN-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000419292568 395255550 /nfs/dbraw/zinc/25/55/50/395255550.db2.gz TVXCRQGEXDYDIN-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000419292568 395255555 /nfs/dbraw/zinc/25/55/55/395255555.db2.gz TVXCRQGEXDYDIN-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CCO1 ZINC000352611422 395263800 /nfs/dbraw/zinc/26/38/00/395263800.db2.gz HNGUFLKKRSDFKU-FPCVCCKLSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCO1 ZINC000352611422 395263805 /nfs/dbraw/zinc/26/38/05/395263805.db2.gz HNGUFLKKRSDFKU-FPCVCCKLSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCO1 ZINC000352611422 395263808 /nfs/dbraw/zinc/26/38/08/395263808.db2.gz HNGUFLKKRSDFKU-FPCVCCKLSA-N 2 1 266.429 2.218 20 0 CEADMP C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000420391592 395367629 /nfs/dbraw/zinc/36/76/29/395367629.db2.gz IPUSWGPPAGDPJU-ILXRZTDVSA-N 2 1 252.402 2.020 20 0 CEADMP c1cc(CCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccn1 ZINC000420398555 395371256 /nfs/dbraw/zinc/37/12/56/395371256.db2.gz NGJULMUWUNVOOY-IAGOWNOFSA-N 2 1 273.424 2.478 20 0 CEADMP COCCCC[N@H+](C)CCCCn1cc[nH+]c1C ZINC000412972105 395371720 /nfs/dbraw/zinc/37/17/20/395371720.db2.gz RPKZRQNLFLYSLA-UHFFFAOYSA-N 2 1 253.390 2.330 20 0 CEADMP COCCCC[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000412972105 395371722 /nfs/dbraw/zinc/37/17/22/395371722.db2.gz RPKZRQNLFLYSLA-UHFFFAOYSA-N 2 1 253.390 2.330 20 0 CEADMP CCN(C(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000442781332 395394983 /nfs/dbraw/zinc/39/49/83/395394983.db2.gz PDAOMUSIEPJLJL-KKUMJFAQSA-N 2 1 289.423 2.097 20 0 CEADMP CCN(C(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000442781332 395394984 /nfs/dbraw/zinc/39/49/84/395394984.db2.gz PDAOMUSIEPJLJL-KKUMJFAQSA-N 2 1 289.423 2.097 20 0 CEADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442780196 395394995 /nfs/dbraw/zinc/39/49/95/395394995.db2.gz NPMKQGVYXGCALG-IJLUTSLNSA-N 2 1 295.814 2.336 20 0 CEADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442780196 395394996 /nfs/dbraw/zinc/39/49/96/395394996.db2.gz NPMKQGVYXGCALG-IJLUTSLNSA-N 2 1 295.814 2.336 20 0 CEADMP C[N@@H+](CCCc1nc(-c2ccccc2)no1)C1CC([NH3+])C1 ZINC000420329653 395331332 /nfs/dbraw/zinc/33/13/32/395331332.db2.gz KJUPROBJYYRXDM-UHFFFAOYSA-N 2 1 286.379 2.091 20 0 CEADMP CC(C)c1ccc([C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420348937 395339974 /nfs/dbraw/zinc/33/99/74/395339974.db2.gz BFEBSDSDWYVSLC-SWLSCSKDSA-N 2 1 250.386 2.122 20 0 CEADMP C(C[N@H+]1CC[C@H](C2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000420352841 395341402 /nfs/dbraw/zinc/34/14/02/395341402.db2.gz AVWWLZREQRYJGT-INIZCTEOSA-N 2 1 266.429 2.125 20 0 CEADMP c1ccc(CC[C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420353055 395341406 /nfs/dbraw/zinc/34/14/06/395341406.db2.gz BFZKKRBKVJBBBE-ROUUACIJSA-N 2 1 288.435 2.320 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442931859 395397225 /nfs/dbraw/zinc/39/72/25/395397225.db2.gz WUILSMNNVUNTRV-LBPRGKRZSA-N 2 1 264.417 2.268 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCOC[C@H]1C ZINC000195121694 395459932 /nfs/dbraw/zinc/45/99/32/395459932.db2.gz BAFSLKNVUIUYGI-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)c2C1 ZINC000444168183 395419708 /nfs/dbraw/zinc/41/97/08/395419708.db2.gz OSHCYFXVSLVALT-CRAIPNDOSA-N 2 1 299.418 2.350 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)c2C1 ZINC000444168183 395419711 /nfs/dbraw/zinc/41/97/11/395419711.db2.gz OSHCYFXVSLVALT-CRAIPNDOSA-N 2 1 299.418 2.350 20 0 CEADMP COC(=O)[C@@H]1CC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC000444622911 395440687 /nfs/dbraw/zinc/44/06/87/395440687.db2.gz IHPQPMMFPFMXOV-HNNXBMFYSA-N 2 1 294.439 2.138 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1C ZINC000448025339 395508154 /nfs/dbraw/zinc/50/81/54/395508154.db2.gz CSNHCWCYDLLMIZ-QLFBSQMISA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1C ZINC000448025339 395508156 /nfs/dbraw/zinc/50/81/56/395508156.db2.gz CSNHCWCYDLLMIZ-QLFBSQMISA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1C ZINC000448025339 395508159 /nfs/dbraw/zinc/50/81/59/395508159.db2.gz CSNHCWCYDLLMIZ-QLFBSQMISA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2N(C)CCCC2(C)C)CC[N@@H+]1C ZINC000448025339 395508162 /nfs/dbraw/zinc/50/81/62/395508162.db2.gz CSNHCWCYDLLMIZ-QLFBSQMISA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2N(C)CCCC2(C)C)CC[N@H+]1C ZINC000448025339 395508164 /nfs/dbraw/zinc/50/81/64/395508164.db2.gz CSNHCWCYDLLMIZ-QLFBSQMISA-N 2 1 267.461 2.179 20 0 CEADMP COCC[C@@H]1CCCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000566417162 395521066 /nfs/dbraw/zinc/52/10/66/395521066.db2.gz SWJBZOJTCXSNNO-HNNXBMFYSA-N 2 1 279.428 2.491 20 0 CEADMP COCC[C@@H]1CCCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000566417162 395521068 /nfs/dbraw/zinc/52/10/68/395521068.db2.gz SWJBZOJTCXSNNO-HNNXBMFYSA-N 2 1 279.428 2.491 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000566481138 395529969 /nfs/dbraw/zinc/52/99/69/395529969.db2.gz AGYITNDJEXOLFR-ILXRZTDVSA-N 2 1 267.461 2.356 20 0 CEADMP c1ccc(O[C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000567871043 395537910 /nfs/dbraw/zinc/53/79/10/395537910.db2.gz LIDSSWNGOCJJFP-ZBFHGGJFSA-N 2 1 260.381 2.139 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000446749534 395497914 /nfs/dbraw/zinc/49/79/14/395497914.db2.gz BCQXZHZDICEAHG-XJKSGUPXSA-N 2 1 266.429 2.266 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC[NH+](C2CC2)CC1 ZINC000446887486 395501243 /nfs/dbraw/zinc/50/12/43/395501243.db2.gz ULOPPJUYSOHRGA-RDJZCZTQSA-N 3 1 277.456 2.077 20 0 CEADMP C[C@H](CC1CCCCC1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000573795727 395618208 /nfs/dbraw/zinc/61/82/08/395618208.db2.gz UVHVMGQATNYPQY-CZUORRHYSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@H](CC1CCCCC1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000573795727 395618209 /nfs/dbraw/zinc/61/82/09/395618209.db2.gz UVHVMGQATNYPQY-CZUORRHYSA-N 2 1 268.445 2.390 20 0 CEADMP O[C@@H]1CC[C@@H]2C[N@H+](CCC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000451705781 395624526 /nfs/dbraw/zinc/62/45/26/395624526.db2.gz ZIIYAEAMLYAWLP-BRWVUGGUSA-N 2 1 280.456 2.345 20 0 CEADMP O[C@@H]1CC[C@@H]2C[N@@H+](CCC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000451705781 395624527 /nfs/dbraw/zinc/62/45/27/395624527.db2.gz ZIIYAEAMLYAWLP-BRWVUGGUSA-N 2 1 280.456 2.345 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)CC[N@@H+]1C ZINC000647343019 395706665 /nfs/dbraw/zinc/70/66/65/395706665.db2.gz AIGJBDPJCDLSGJ-SYQHCUMBSA-N 2 1 254.418 2.405 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)CC[N@H+]1C ZINC000647343019 395706666 /nfs/dbraw/zinc/70/66/66/395706666.db2.gz AIGJBDPJCDLSGJ-SYQHCUMBSA-N 2 1 254.418 2.405 20 0 CEADMP COc1ccc(C[N@H+](C)C[C@]2(C)CC[NH2+]C2)cc1OC ZINC000647513331 395724303 /nfs/dbraw/zinc/72/43/03/395724303.db2.gz SWHTZDMOFJSFPM-MRXNPFEDSA-N 2 1 278.396 2.135 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)cc1OC ZINC000647513331 395724306 /nfs/dbraw/zinc/72/43/06/395724306.db2.gz SWHTZDMOFJSFPM-MRXNPFEDSA-N 2 1 278.396 2.135 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CC[C@@H]1[NH3+] ZINC000647497822 395721510 /nfs/dbraw/zinc/72/15/10/395721510.db2.gz WNYGMDRVFVPZCN-DOMZBBRYSA-N 2 1 290.436 2.493 20 0 CEADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000647549195 395732896 /nfs/dbraw/zinc/73/28/96/395732896.db2.gz MTUSWILVSHIKFH-FZMZJTMJSA-N 2 1 252.789 2.470 20 0 CEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC000647548627 395733053 /nfs/dbraw/zinc/73/30/53/395733053.db2.gz LNFRCVFSEZOMHU-DOMZBBRYSA-N 2 1 250.361 2.346 20 0 CEADMP c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543353 395730735 /nfs/dbraw/zinc/73/07/35/395730735.db2.gz LQRWPBIPBLSCHE-CHWSQXEVSA-N 2 1 265.426 2.355 20 0 CEADMP c1cc2cnccc2c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000647542426 395730824 /nfs/dbraw/zinc/73/08/24/395730824.db2.gz HKFVMUQWDBILTL-DOTOQJQBSA-N 2 1 267.376 2.419 20 0 CEADMP CC(C)C[C@H](N)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544538 395731281 /nfs/dbraw/zinc/73/12/81/395731281.db2.gz PTZLYLGGBSLGTG-OAGGEKHMSA-N 2 1 267.461 2.071 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544538 395731284 /nfs/dbraw/zinc/73/12/84/395731284.db2.gz PTZLYLGGBSLGTG-OAGGEKHMSA-N 2 1 267.461 2.071 20 0 CEADMP C(C[NH2+]C1CCCCCC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647546563 395731766 /nfs/dbraw/zinc/73/17/66/395731766.db2.gz PLKVDNVBDNOWBV-YQQAZPJKSA-N 2 1 279.472 2.277 20 0 CEADMP C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)NC1CCCCCC1 ZINC000647546563 395731769 /nfs/dbraw/zinc/73/17/69/395731769.db2.gz PLKVDNVBDNOWBV-YQQAZPJKSA-N 2 1 279.472 2.277 20 0 CEADMP COc1cc(CC[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)ccc1C ZINC000647550180 395733527 /nfs/dbraw/zinc/73/35/27/395733527.db2.gz DPRBFDUJMHSOMG-WFASDCNBSA-N 2 1 262.397 2.134 20 0 CEADMP CN(C)CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(C)(C)C ZINC000647786316 395754352 /nfs/dbraw/zinc/75/43/52/395754352.db2.gz MRLXLXUEMHFFOY-JONQDZQNSA-N 2 1 281.488 2.331 20 0 CEADMP Cc1cccc2nc(CC[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)cn21 ZINC000647804266 395758292 /nfs/dbraw/zinc/75/82/92/395758292.db2.gz NFPWAHNWBGRCPO-GDBMZVCRSA-N 2 1 286.423 2.305 20 0 CEADMP COc1cccc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814805 395759358 /nfs/dbraw/zinc/75/93/58/395759358.db2.gz HABWOAVVBQNVMY-UHFFFAOYSA-N 2 1 290.407 2.290 20 0 CEADMP CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CC[NH2+]C1 ZINC000647873455 395766688 /nfs/dbraw/zinc/76/66/88/395766688.db2.gz LRIJAIHGBSPCRS-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP CCCC[C@H](C[NH3+])NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000647875044 395767111 /nfs/dbraw/zinc/76/71/11/395767111.db2.gz SRJDELPOFCAXPF-QWHCGFSZSA-N 2 1 280.416 2.030 20 0 CEADMP COCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000647879521 395767903 /nfs/dbraw/zinc/76/79/03/395767903.db2.gz HURJLVBLQVWSJI-GJZGRUSLSA-N 2 1 262.397 2.306 20 0 CEADMP c1cc2c(c([C@H]3CCC[N@@H+]3C[C@@H]3CC[NH2+]C3)c1)OCCO2 ZINC000647883942 395768562 /nfs/dbraw/zinc/76/85/62/395768562.db2.gz NAOPLIKFQMRMPH-UKRRQHHQSA-N 2 1 288.391 2.204 20 0 CEADMP c1ccc([C@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)CCS2)cc1 ZINC000647885816 395769403 /nfs/dbraw/zinc/76/94/03/395769403.db2.gz SQEGCQPUDMPHPN-UKRRQHHQSA-N 2 1 262.422 2.386 20 0 CEADMP c1ccc([C@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)CCS2)cc1 ZINC000647885816 395769405 /nfs/dbraw/zinc/76/94/05/395769405.db2.gz SQEGCQPUDMPHPN-UKRRQHHQSA-N 2 1 262.422 2.386 20 0 CEADMP c1ccc(CCCO[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647890810 395769900 /nfs/dbraw/zinc/76/99/00/395769900.db2.gz XXSLMVFOAMGIJQ-QZTJIDSGSA-N 2 1 288.435 2.320 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc3cc[nH]c31)CCO2 ZINC000648071529 395825899 /nfs/dbraw/zinc/82/58/99/395825899.db2.gz GTXYQPZIHBFOCQ-UHFFFAOYSA-N 2 1 299.418 2.465 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977963 395794360 /nfs/dbraw/zinc/79/43/60/395794360.db2.gz KFCSWABEWLERRY-SJORKVTESA-N 3 1 281.488 2.430 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC000647978327 395794465 /nfs/dbraw/zinc/79/44/65/395794465.db2.gz PZEMMLWLKOCDRB-IAGOWNOFSA-N 3 1 279.472 2.088 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647986541 395795806 /nfs/dbraw/zinc/79/58/06/395795806.db2.gz DZBDEBUAQXMFDX-IRXDYDNUSA-N 3 1 279.472 2.088 20 0 CEADMP c1ccc([C@@H]2CNCC[N@H+]2CCCC2CC[NH2+]CC2)cc1 ZINC000647992548 395797494 /nfs/dbraw/zinc/79/74/94/395797494.db2.gz NVBBQEMJDBYMRC-SFHVURJKSA-N 2 1 287.451 2.413 20 0 CEADMP c1ccc([C@@H]2CNCC[N@@H+]2CCCC2CC[NH2+]CC2)cc1 ZINC000647992548 395797495 /nfs/dbraw/zinc/79/74/95/395797495.db2.gz NVBBQEMJDBYMRC-SFHVURJKSA-N 2 1 287.451 2.413 20 0 CEADMP CCn1nnc(C)c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000648361860 395894115 /nfs/dbraw/zinc/89/41/15/395894115.db2.gz FWHOFGQUESXESG-UHFFFAOYSA-N 2 1 293.459 2.159 20 0 CEADMP COc1cc2ccccc2cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000648385257 395899251 /nfs/dbraw/zinc/89/92/51/395899251.db2.gz XNVOURMKZKYKJV-CALCHBBNSA-N 2 1 282.387 2.500 20 0 CEADMP COc1cc2ccccc2cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000648385257 395899255 /nfs/dbraw/zinc/89/92/55/395899255.db2.gz XNVOURMKZKYKJV-CALCHBBNSA-N 2 1 282.387 2.500 20 0 CEADMP CCC[N@H+](CC)CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648806611 395989634 /nfs/dbraw/zinc/98/96/34/395989634.db2.gz QLDQMVNZVWCDNY-CQSZACIVSA-N 2 1 294.443 2.245 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648806611 395989638 /nfs/dbraw/zinc/98/96/38/395989638.db2.gz QLDQMVNZVWCDNY-CQSZACIVSA-N 2 1 294.443 2.245 20 0 CEADMP CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000648999919 396038470 /nfs/dbraw/zinc/03/84/70/396038470.db2.gz KHSWDNRCALFVDY-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649307473 396118106 /nfs/dbraw/zinc/11/81/06/396118106.db2.gz RQKDIPXXKDLOPR-OKILXGFUSA-N 2 1 297.487 2.377 20 0 CEADMP C[N@H+](Cc1ccccc1N1CCCC1)C[C@@H]1CC[NH2+]C1 ZINC000649411409 396146417 /nfs/dbraw/zinc/14/64/17/396146417.db2.gz UHUIKJZILIXJTL-OAHLLOKOSA-N 2 1 273.424 2.328 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000649413798 396147249 /nfs/dbraw/zinc/14/72/49/396147249.db2.gz GIBDYUHZNJOZNE-KRWDZBQOSA-N 3 1 279.472 2.184 20 0 CEADMP Cc1nc(C(C)(C)[NH2+]C[C@H]2CC[NH2+]C2)sc1C ZINC000649414600 396148646 /nfs/dbraw/zinc/14/86/46/396148646.db2.gz KYLLLCSDENQWFC-NSHDSACASA-N 2 1 253.415 2.194 20 0 CEADMP c1cncc(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000649417725 396148911 /nfs/dbraw/zinc/14/89/11/396148911.db2.gz CHKYXNFZCJUZRE-IAGOWNOFSA-N 2 1 273.424 2.336 20 0 CEADMP Cc1cc(C)n(CC[N@@H+](CCC[NH3+])CC2CCCC2)n1 ZINC000649417585 396149134 /nfs/dbraw/zinc/14/91/34/396149134.db2.gz AJAPOWYAYMKMOK-UHFFFAOYSA-N 2 1 278.444 2.341 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646098131 396292098 /nfs/dbraw/zinc/29/20/98/396292098.db2.gz KVSKDNFIIHEVKK-AWEZNQCLSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646098131 396292101 /nfs/dbraw/zinc/29/21/01/396292101.db2.gz KVSKDNFIIHEVKK-AWEZNQCLSA-N 2 1 277.412 2.473 20 0 CEADMP CC(C)C[C@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106730 396294962 /nfs/dbraw/zinc/29/49/62/396294962.db2.gz OJHDYFDBXLELGJ-AWEZNQCLSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC000647177137 396430264 /nfs/dbraw/zinc/43/02/64/396430264.db2.gz MUWQTEYFMUAZSC-UHFFFAOYSA-N 2 1 295.390 2.475 20 0 CEADMP CCCNC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806621 400160775 /nfs/dbraw/zinc/16/07/75/400160775.db2.gz YSXRKEZXAIACAM-UHFFFAOYSA-N 2 1 295.471 2.101 20 0 CEADMP CCCCOCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000049264114 400226745 /nfs/dbraw/zinc/22/67/45/400226745.db2.gz ZBNRRITWLOFTLU-CABCVRRESA-N 2 1 254.418 2.267 20 0 CEADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000339427799 400364468 /nfs/dbraw/zinc/36/44/68/400364468.db2.gz CAVJJRWKJCISOR-DLBZAZTESA-N 2 1 276.424 2.176 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCCC1(C)C ZINC000394124276 400546784 /nfs/dbraw/zinc/54/67/84/400546784.db2.gz ITANXLGRIGMBRX-KGLIPLIRSA-N 2 1 256.434 2.246 20 0 CEADMP CC1(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000650707475 400998454 /nfs/dbraw/zinc/99/84/54/400998454.db2.gz GZRYYNRNCAVJBW-BFHYXJOUSA-N 2 1 252.402 2.005 20 0 CEADMP Cc1ncccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706854 400998613 /nfs/dbraw/zinc/99/86/13/400998613.db2.gz UHZNNUCZCLGDLG-ULQDDVLXSA-N 2 1 289.423 2.108 20 0 CEADMP CC1(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CCC1 ZINC000650708090 401000380 /nfs/dbraw/zinc/00/03/80/401000380.db2.gz SWUUQOIRWVCFDE-KKUMJFAQSA-N 2 1 266.429 2.395 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cccc3cnccc32)C[C@H]1C[NH3+] ZINC000650714669 401004527 /nfs/dbraw/zinc/00/45/27/401004527.db2.gz XKZCXTCRKIDXOD-NVXWUHKLSA-N 2 1 285.391 2.030 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CNc3ccccc3C2)CC1 ZINC000650715572 401006022 /nfs/dbraw/zinc/00/60/22/401006022.db2.gz DRBHKYVKCPXMGB-OAHLLOKOSA-N 2 1 259.397 2.097 20 0 CEADMP Cc1ccncc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723476 401011304 /nfs/dbraw/zinc/01/13/04/401011304.db2.gz OQPRZCFMEYBVDK-BBWFWOEESA-N 2 1 289.423 2.251 20 0 CEADMP [NH3+]CCC1CC[NH+](Cc2cn3cccc(F)c3n2)CC1 ZINC000650721493 401012238 /nfs/dbraw/zinc/01/22/38/401012238.db2.gz JTHHJYUGCHFJFX-UHFFFAOYSA-N 2 1 276.359 2.034 20 0 CEADMP CC[N@@H+](CCCN[C@@H](C)C1C[NH2+]C1)C1CCCCC1 ZINC000650742170 401017557 /nfs/dbraw/zinc/01/75/57/401017557.db2.gz SGIOVUQOPCKYLB-AWEZNQCLSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CNc3ccccc3C2)CC[N@@H+]1C ZINC000650751195 401027537 /nfs/dbraw/zinc/02/75/37/401027537.db2.gz QDSCNZHVQKDADL-SNPRPXQTSA-N 2 1 259.397 2.096 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CNc3ccccc3C2)CC[N@H+]1C ZINC000650751195 401027546 /nfs/dbraw/zinc/02/75/46/401027546.db2.gz QDSCNZHVQKDADL-SNPRPXQTSA-N 2 1 259.397 2.096 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000650756216 401032596 /nfs/dbraw/zinc/03/25/96/401032596.db2.gz WQXMGYJCVQLEMZ-RCCFBDPRSA-N 3 1 287.451 2.368 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000650756216 401032598 /nfs/dbraw/zinc/03/25/98/401032598.db2.gz WQXMGYJCVQLEMZ-RCCFBDPRSA-N 2 1 287.451 2.368 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000650756216 401032600 /nfs/dbraw/zinc/03/26/00/401032600.db2.gz WQXMGYJCVQLEMZ-RCCFBDPRSA-N 2 1 287.451 2.368 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000650756216 401032602 /nfs/dbraw/zinc/03/26/02/401032602.db2.gz WQXMGYJCVQLEMZ-RCCFBDPRSA-N 2 1 287.451 2.368 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000359965267 155179940 /nfs/dbraw/zinc/17/99/40/155179940.db2.gz YBFTUPSYPUYICI-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000359965267 155179944 /nfs/dbraw/zinc/17/99/44/155179944.db2.gz YBFTUPSYPUYICI-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000359965267 155179946 /nfs/dbraw/zinc/17/99/46/155179946.db2.gz YBFTUPSYPUYICI-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000158156203 289229255 /nfs/dbraw/zinc/22/92/55/289229255.db2.gz LXXYQESBLNARBO-RISCZKNCSA-N 2 1 262.401 2.086 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000158156203 289229258 /nfs/dbraw/zinc/22/92/58/289229258.db2.gz LXXYQESBLNARBO-RISCZKNCSA-N 2 1 262.401 2.086 20 0 CEADMP CCC1(CC)CCC([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000651762782 401386093 /nfs/dbraw/zinc/38/60/93/401386093.db2.gz OTKGPMPBOONFBT-MRXNPFEDSA-N 2 1 268.445 2.392 20 0 CEADMP CCC1(CC)CCC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000651762782 401386098 /nfs/dbraw/zinc/38/60/98/401386098.db2.gz OTKGPMPBOONFBT-MRXNPFEDSA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc2nccn21 ZINC000651865653 401405658 /nfs/dbraw/zinc/40/56/58/401405658.db2.gz BYEMFAOWYWUBTL-UHFFFAOYSA-N 2 1 274.412 2.402 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc2nccn21 ZINC000651865653 401405659 /nfs/dbraw/zinc/40/56/59/401405659.db2.gz BYEMFAOWYWUBTL-UHFFFAOYSA-N 2 1 274.412 2.402 20 0 CEADMP CC[N@H+]1CC[C@H](NCCC[NH+](C)CC(C)C)[C@H](C)C1 ZINC000651866191 401406976 /nfs/dbraw/zinc/40/69/76/401406976.db2.gz YHVFBZHLBPYTNJ-CVEARBPZSA-N 2 1 269.477 2.284 20 0 CEADMP CC[NH+]1CC[C@H](NCCC[N@H+](C)CC(C)C)[C@H](C)C1 ZINC000651866191 401406979 /nfs/dbraw/zinc/40/69/79/401406979.db2.gz YHVFBZHLBPYTNJ-CVEARBPZSA-N 2 1 269.477 2.284 20 0 CEADMP CC[NH+]1CC[C@H](NCCC[N@@H+](C)CC(C)C)[C@H](C)C1 ZINC000651866191 401406983 /nfs/dbraw/zinc/40/69/83/401406983.db2.gz YHVFBZHLBPYTNJ-CVEARBPZSA-N 2 1 269.477 2.284 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH+](C)CC(C)C)[C@H](C)C1 ZINC000651866191 401406985 /nfs/dbraw/zinc/40/69/85/401406985.db2.gz YHVFBZHLBPYTNJ-CVEARBPZSA-N 3 1 269.477 2.284 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC[NH+](C)CC(C)C)[C@H](C)C1 ZINC000651866191 401406988 /nfs/dbraw/zinc/40/69/88/401406988.db2.gz YHVFBZHLBPYTNJ-CVEARBPZSA-N 3 1 269.477 2.284 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)[C@H](C)C1 ZINC000651866191 401406991 /nfs/dbraw/zinc/40/69/91/401406991.db2.gz YHVFBZHLBPYTNJ-CVEARBPZSA-N 3 1 269.477 2.284 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)[C@H](C)C1 ZINC000651866191 401406993 /nfs/dbraw/zinc/40/69/93/401406993.db2.gz YHVFBZHLBPYTNJ-CVEARBPZSA-N 3 1 269.477 2.284 20 0 CEADMP CC[N@H+]1CC[C@H](NCCC[NH+](C)CC(C)C)[C@@H](C)C1 ZINC000651866192 401407151 /nfs/dbraw/zinc/40/71/51/401407151.db2.gz YHVFBZHLBPYTNJ-HOTGVXAUSA-N 2 1 269.477 2.284 20 0 CEADMP CC[NH+]1CC[C@H](NCCC[N@H+](C)CC(C)C)[C@@H](C)C1 ZINC000651866192 401407154 /nfs/dbraw/zinc/40/71/54/401407154.db2.gz YHVFBZHLBPYTNJ-HOTGVXAUSA-N 2 1 269.477 2.284 20 0 CEADMP CC[NH+]1CC[C@H](NCCC[N@@H+](C)CC(C)C)[C@@H](C)C1 ZINC000651866192 401407157 /nfs/dbraw/zinc/40/71/57/401407157.db2.gz YHVFBZHLBPYTNJ-HOTGVXAUSA-N 2 1 269.477 2.284 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH+](C)CC(C)C)[C@@H](C)C1 ZINC000651866192 401407161 /nfs/dbraw/zinc/40/71/61/401407161.db2.gz YHVFBZHLBPYTNJ-HOTGVXAUSA-N 3 1 269.477 2.284 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC[NH+](C)CC(C)C)[C@@H](C)C1 ZINC000651866192 401407162 /nfs/dbraw/zinc/40/71/62/401407162.db2.gz YHVFBZHLBPYTNJ-HOTGVXAUSA-N 3 1 269.477 2.284 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)[C@@H](C)C1 ZINC000651866192 401407166 /nfs/dbraw/zinc/40/71/66/401407166.db2.gz YHVFBZHLBPYTNJ-HOTGVXAUSA-N 3 1 269.477 2.284 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)[C@@H](C)C1 ZINC000651866192 401407168 /nfs/dbraw/zinc/40/71/68/401407168.db2.gz YHVFBZHLBPYTNJ-HOTGVXAUSA-N 3 1 269.477 2.284 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC[N@@H+]1C ZINC000652278055 401477647 /nfs/dbraw/zinc/47/76/47/401477647.db2.gz ABENXUNNTZMWPE-XBVQOTNRSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC[N@H+]1C ZINC000652278055 401477650 /nfs/dbraw/zinc/47/76/50/401477650.db2.gz ABENXUNNTZMWPE-XBVQOTNRSA-N 2 1 289.423 2.374 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000652222641 401466883 /nfs/dbraw/zinc/46/68/83/401466883.db2.gz UJTQFJKMVIHJOF-LBPRGKRZSA-N 2 1 252.406 2.347 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000652222641 401466885 /nfs/dbraw/zinc/46/68/85/401466885.db2.gz UJTQFJKMVIHJOF-LBPRGKRZSA-N 2 1 252.406 2.347 20 0 CEADMP CCOCCC[N@H+]1CC[C@H](NCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000360918891 286062418 /nfs/dbraw/zinc/06/24/18/286062418.db2.gz LAAIHQOGWCVRCS-IRXDYDNUSA-N 2 1 299.503 2.053 20 0 CEADMP CCOCCC[NH+]1CC[C@H](NCC[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000360918891 286062420 /nfs/dbraw/zinc/06/24/20/286062420.db2.gz LAAIHQOGWCVRCS-IRXDYDNUSA-N 2 1 299.503 2.053 20 0 CEADMP CCOCCC[NH+]1CC[C@H](NCC[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000360918891 286062423 /nfs/dbraw/zinc/06/24/23/286062423.db2.gz LAAIHQOGWCVRCS-IRXDYDNUSA-N 2 1 299.503 2.053 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC2(CO)CCC2)[C@H]2CCC[C@H]21 ZINC000652312409 401485734 /nfs/dbraw/zinc/48/57/34/401485734.db2.gz OCQGSDFQEQIBCW-QLFBSQMISA-N 2 1 266.429 2.002 20 0 CEADMP CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1CCOC1 ZINC000652337083 401489882 /nfs/dbraw/zinc/48/98/82/401489882.db2.gz IMXDGRNXJVCFQL-HNNXBMFYSA-N 2 1 274.408 2.191 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000652353386 401492452 /nfs/dbraw/zinc/49/24/52/401492452.db2.gz DDOXXDQHDLKNQC-BLLLJJGKSA-N 2 1 296.842 2.272 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000652353386 401492453 /nfs/dbraw/zinc/49/24/53/401492453.db2.gz DDOXXDQHDLKNQC-BLLLJJGKSA-N 2 1 296.842 2.272 20 0 CEADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000311127451 286146474 /nfs/dbraw/zinc/14/64/74/286146474.db2.gz IKLQCXFQUBPVAW-RBSFLKMASA-N 2 1 252.402 2.018 20 0 CEADMP CCc1nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)cc(C)[nH+]1 ZINC000311633002 289279875 /nfs/dbraw/zinc/27/98/75/289279875.db2.gz VVOYZCWGLAHKAG-LBPRGKRZSA-N 2 1 260.385 2.244 20 0 CEADMP CCc1nc(NC[C@@H]2CC[N@H+](C3CC3)C2)cc(C)[nH+]1 ZINC000311633002 289279880 /nfs/dbraw/zinc/27/98/80/289279880.db2.gz VVOYZCWGLAHKAG-LBPRGKRZSA-N 2 1 260.385 2.244 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@]2(C)CC[NH2+]C2)C12CCC2 ZINC000261880765 286333548 /nfs/dbraw/zinc/33/35/48/286333548.db2.gz QVWNJFVLHYZFDK-RRFJBIMHSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CC[C@H](C)O2)CC1 ZINC000188548798 153058966 /nfs/dbraw/zinc/05/89/66/153058966.db2.gz IZPOULZJPVIKGG-ZFWWWQNUSA-N 2 1 254.418 2.360 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC[C@H](C)O2)[C@H](C)C1 ZINC000191129687 153162828 /nfs/dbraw/zinc/16/28/28/153162828.db2.gz FCRDIEREUDLCPQ-LTIDMASMSA-N 2 1 298.471 2.281 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000191588708 153182263 /nfs/dbraw/zinc/18/22/63/153182263.db2.gz CBIVJUMGVOAYKJ-HZPDHXFCSA-N 2 1 278.444 2.498 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000191588708 153182264 /nfs/dbraw/zinc/18/22/64/153182264.db2.gz CBIVJUMGVOAYKJ-HZPDHXFCSA-N 3 1 278.444 2.498 20 0 CEADMP COC(=O)[C@@H](C)[N@H+](CCCCn1cc[nH+]c1C)C1CCC1 ZINC000192382252 153207045 /nfs/dbraw/zinc/20/70/45/153207045.db2.gz IWHPTYUNCBSIKV-CYBMUJFWSA-N 2 1 293.411 2.388 20 0 CEADMP COC(=O)[C@@H](C)[N@@H+](CCCCn1cc[nH+]c1C)C1CCC1 ZINC000192382252 153207047 /nfs/dbraw/zinc/20/70/47/153207047.db2.gz IWHPTYUNCBSIKV-CYBMUJFWSA-N 2 1 293.411 2.388 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CCCc3cccc(F)c3)C[C@@H]2C1 ZINC000193597442 153237783 /nfs/dbraw/zinc/23/77/83/153237783.db2.gz XANHZQBNWGVCAO-GASCZTMLSA-N 2 1 262.372 2.252 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@@H]2C1 ZINC000193597442 153237786 /nfs/dbraw/zinc/23/77/86/153237786.db2.gz XANHZQBNWGVCAO-GASCZTMLSA-N 2 1 262.372 2.252 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCCc3cccc(F)c3)C[C@@H]2C1 ZINC000193597442 153237789 /nfs/dbraw/zinc/23/77/89/153237789.db2.gz XANHZQBNWGVCAO-GASCZTMLSA-N 2 1 262.372 2.252 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@@H]3CCOC[C@@H]3C)CC2)[nH+]c1 ZINC000195044005 153273730 /nfs/dbraw/zinc/27/37/30/153273730.db2.gz GCTFWANETPVKIN-GOEBONIOSA-N 2 1 289.423 2.373 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cccc(OC(F)(F)F)c1 ZINC000220231893 153308336 /nfs/dbraw/zinc/30/83/36/153308336.db2.gz GBOMFRNFGIASAX-UHFFFAOYSA-N 2 1 262.275 2.366 20 0 CEADMP C(C[C@H]1CCCCO1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000227504970 153344007 /nfs/dbraw/zinc/34/40/07/153344007.db2.gz HNDBLNFAACPEBE-RBSFLKMASA-N 2 1 252.402 2.162 20 0 CEADMP C[N@@H+](Cc1ccc(-c2ccccc2)cc1)C[C@H](O)C[NH3+] ZINC000313347592 154208966 /nfs/dbraw/zinc/20/89/66/154208966.db2.gz NBNBTGIPQUNYSZ-QGZVFWFLSA-N 2 1 270.376 2.105 20 0 CEADMP C[N@H+](Cc1ccc(-c2ccccc2)cc1)C[C@H](O)C[NH3+] ZINC000313347592 154208973 /nfs/dbraw/zinc/20/89/73/154208973.db2.gz NBNBTGIPQUNYSZ-QGZVFWFLSA-N 2 1 270.376 2.105 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000351857318 154318892 /nfs/dbraw/zinc/31/88/92/154318892.db2.gz XFNXWTNNVZJFSK-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000351857318 154318897 /nfs/dbraw/zinc/31/88/97/154318897.db2.gz XFNXWTNNVZJFSK-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000351858356 154319025 /nfs/dbraw/zinc/31/90/25/154319025.db2.gz YSBCBNRLPNUGDM-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000351858356 154319033 /nfs/dbraw/zinc/31/90/33/154319033.db2.gz YSBCBNRLPNUGDM-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cnn(C)c1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352771189 154332802 /nfs/dbraw/zinc/33/28/02/154332802.db2.gz NEHBBMRHDQZCNC-OKILXGFUSA-N 2 1 278.444 2.186 20 0 CEADMP Cc1cnn(C)c1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352771189 154332809 /nfs/dbraw/zinc/33/28/09/154332809.db2.gz NEHBBMRHDQZCNC-OKILXGFUSA-N 2 1 278.444 2.186 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](CCOC)CC1)CC1CC1 ZINC000357083884 154377472 /nfs/dbraw/zinc/37/74/72/154377472.db2.gz LETKXYKYGWPKMA-UHFFFAOYSA-N 2 1 268.445 2.467 20 0 CEADMP COc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC(C)C ZINC000359472259 155025776 /nfs/dbraw/zinc/02/57/76/155025776.db2.gz KSPUZNNNKRZFFP-GJZGRUSLSA-N 2 1 290.407 2.134 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000361230004 155490672 /nfs/dbraw/zinc/49/06/72/155490672.db2.gz CXQODMCZGKNIHU-BZUAXINKSA-N 2 1 296.842 2.488 20 0 CEADMP CC(C)C[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363206500 156010855 /nfs/dbraw/zinc/01/08/55/156010855.db2.gz KSAYELIUTOSHFO-UHFFFAOYSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H](c1ccccc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363218295 156015269 /nfs/dbraw/zinc/01/52/69/156015269.db2.gz HLOAKRNKNCPULM-FUHWJXTLSA-N 2 1 287.451 2.459 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)n21 ZINC000363312682 156022289 /nfs/dbraw/zinc/02/22/89/156022289.db2.gz AYUYMFCBCDHXRA-HUUCEWRRSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)n21 ZINC000363312682 156022293 /nfs/dbraw/zinc/02/22/93/156022293.db2.gz AYUYMFCBCDHXRA-HUUCEWRRSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)n21 ZINC000363312683 156023005 /nfs/dbraw/zinc/02/30/05/156023005.db2.gz AYUYMFCBCDHXRA-LSDHHAIUSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)n21 ZINC000363312683 156023006 /nfs/dbraw/zinc/02/30/06/156023006.db2.gz AYUYMFCBCDHXRA-LSDHHAIUSA-N 2 1 284.407 2.359 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCC(C)C)C2)CC1 ZINC000363869449 156045658 /nfs/dbraw/zinc/04/56/58/156045658.db2.gz YYYWFRUPDXRBTD-INIZCTEOSA-N 2 1 267.461 2.134 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000366701930 156080336 /nfs/dbraw/zinc/08/03/36/156080336.db2.gz ZUOAVCLJKIVKCA-UHFFFAOYSA-N 2 1 288.420 2.490 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOC2(CCCC2)C1 ZINC000367013281 156115859 /nfs/dbraw/zinc/11/58/59/156115859.db2.gz LYXTVEXBWUIMQK-UHFFFAOYSA-N 2 1 263.385 2.227 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCOC2(CCCC2)C1 ZINC000367013281 156115861 /nfs/dbraw/zinc/11/58/61/156115861.db2.gz LYXTVEXBWUIMQK-UHFFFAOYSA-N 2 1 263.385 2.227 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367063753 156126619 /nfs/dbraw/zinc/12/66/19/156126619.db2.gz ZEVGOWAWSPXLTI-MRXNPFEDSA-N 2 1 277.412 2.474 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367063753 156126623 /nfs/dbraw/zinc/12/66/23/156126623.db2.gz ZEVGOWAWSPXLTI-MRXNPFEDSA-N 2 1 277.412 2.474 20 0 CEADMP c1nn2ccccc2c1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000367472338 156191889 /nfs/dbraw/zinc/19/18/89/156191889.db2.gz JEVMGDZKSQFAAH-RYRKJORJSA-N 2 1 296.418 2.250 20 0 CEADMP c1nn2ccccc2c1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000367472338 156191890 /nfs/dbraw/zinc/19/18/90/156191890.db2.gz JEVMGDZKSQFAAH-RYRKJORJSA-N 2 1 296.418 2.250 20 0 CEADMP c1nn2ccccc2c1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000367472338 156191893 /nfs/dbraw/zinc/19/18/93/156191893.db2.gz JEVMGDZKSQFAAH-RYRKJORJSA-N 2 1 296.418 2.250 20 0 CEADMP c1nn2ccccc2c1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000367472338 156191896 /nfs/dbraw/zinc/19/18/96/156191896.db2.gz JEVMGDZKSQFAAH-RYRKJORJSA-N 2 1 296.418 2.250 20 0 CEADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000367593596 156208586 /nfs/dbraw/zinc/20/85/86/156208586.db2.gz HWOSJLWPKFGMFX-BRWVUGGUSA-N 2 1 273.424 2.395 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000367623308 156218757 /nfs/dbraw/zinc/21/87/57/156218757.db2.gz VPJUOJBXLVOPJW-XSLAGTTESA-N 2 1 288.435 2.357 20 0 CEADMP CCC[C@H](C)C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367719585 156228343 /nfs/dbraw/zinc/22/83/43/156228343.db2.gz IOLKHALFCJLSCX-DLBZAZTESA-N 2 1 281.488 2.382 20 0 CEADMP CC(=O)CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367899504 156250450 /nfs/dbraw/zinc/25/04/50/156250450.db2.gz CJAHIINMNVXKHZ-UHFFFAOYSA-N 2 1 275.396 2.209 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000368473980 156350275 /nfs/dbraw/zinc/35/02/75/156350275.db2.gz LWCSXISLUQUQSO-LSDHHAIUSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000368473980 156350279 /nfs/dbraw/zinc/35/02/79/156350279.db2.gz LWCSXISLUQUQSO-LSDHHAIUSA-N 2 1 263.385 2.083 20 0 CEADMP c1cc(C[C@@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)ccn1 ZINC000368485515 156354971 /nfs/dbraw/zinc/35/49/71/156354971.db2.gz IUAVWYKLUJXEKI-KRWDZBQOSA-N 2 1 273.424 2.432 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000368607104 156374331 /nfs/dbraw/zinc/37/43/31/156374331.db2.gz GSCOHTYVJABBDE-UPJWGTAASA-N 2 1 254.443 2.344 20 0 CEADMP C[C@@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374895389 157029061 /nfs/dbraw/zinc/02/90/61/157029061.db2.gz MWCTUSJDWXJCGD-CRAIPNDOSA-N 2 1 298.434 2.420 20 0 CEADMP CC[C@](C)(O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000375246647 157066343 /nfs/dbraw/zinc/06/63/43/157066343.db2.gz XENSONVTTMJKNN-KRWDZBQOSA-N 2 1 291.439 2.391 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)n1 ZINC000375514562 157107311 /nfs/dbraw/zinc/10/73/11/157107311.db2.gz YIILZODXVHVILM-UHFFFAOYSA-N 2 1 275.396 2.156 20 0 CEADMP CCn1cc(CC[NH+]2CCC3(CCC[N@@H+]3C)CC2)cn1 ZINC000375695977 157128339 /nfs/dbraw/zinc/12/83/39/157128339.db2.gz DCHKDKHNQLBVCF-UHFFFAOYSA-N 2 1 276.428 2.006 20 0 CEADMP CCn1cc(CC[NH+]2CCC3(CCC[N@H+]3C)CC2)cn1 ZINC000375695977 157128340 /nfs/dbraw/zinc/12/83/40/157128340.db2.gz DCHKDKHNQLBVCF-UHFFFAOYSA-N 2 1 276.428 2.006 20 0 CEADMP C[N@@H+](C[C@H]1CCC=CO1)C1CC[NH+](C2CCOCC2)CC1 ZINC000375711695 157128960 /nfs/dbraw/zinc/12/89/60/157128960.db2.gz NYQZOIXVTIKCAV-QGZVFWFLSA-N 2 1 294.439 2.254 20 0 CEADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000165955628 162347805 /nfs/dbraw/zinc/34/78/05/162347805.db2.gz YBTXUPBTLLMVRT-CZUORRHYSA-N 2 1 291.439 2.128 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cncc(Br)c2)C1 ZINC000167439400 162360972 /nfs/dbraw/zinc/36/09/72/162360972.db2.gz VZTBLYUQWLYRKH-LLVKDONJSA-N 2 1 298.228 2.405 20 0 CEADMP CC(C)OC(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000173781022 165083405 /nfs/dbraw/zinc/08/34/05/165083405.db2.gz YDJMIJBAHXRBLA-OAHLLOKOSA-N 2 1 282.428 2.278 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000173781022 165083409 /nfs/dbraw/zinc/08/34/09/165083409.db2.gz YDJMIJBAHXRBLA-OAHLLOKOSA-N 2 1 282.428 2.278 20 0 CEADMP CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000174131600 165093952 /nfs/dbraw/zinc/09/39/52/165093952.db2.gz WCNOTWSFULUAIV-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](O)Cc1ccccc1 ZINC000181551414 165348214 /nfs/dbraw/zinc/34/82/14/165348214.db2.gz BMSBAXUWGUOEEY-YALNPMBYSA-N 2 1 276.424 2.051 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](O)Cc1ccccc1 ZINC000181551414 165348217 /nfs/dbraw/zinc/34/82/17/165348217.db2.gz BMSBAXUWGUOEEY-YALNPMBYSA-N 2 1 276.424 2.051 20 0 CEADMP FC(F)Oc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000284313186 196027679 /nfs/dbraw/zinc/02/76/79/196027679.db2.gz JNAAORBDSQCXHR-STQMWFEESA-N 2 1 297.349 2.399 20 0 CEADMP FC(F)Oc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000284313186 196027680 /nfs/dbraw/zinc/02/76/80/196027680.db2.gz JNAAORBDSQCXHR-STQMWFEESA-N 2 1 297.349 2.399 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000020189433 171055951 /nfs/dbraw/zinc/05/59/51/171055951.db2.gz XMOHDQIXOJQOLY-UHFFFAOYSA-N 2 1 290.407 2.420 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000401043112 414750280 /nfs/dbraw/zinc/75/02/80/414750280.db2.gz UTNBYKJUGMEPMH-ARFHVFGLSA-N 3 1 279.472 2.229 20 0 CEADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc2c1C[NH2+]C2 ZINC000662836218 414766540 /nfs/dbraw/zinc/76/65/40/414766540.db2.gz WYFLQVPYQDHYIK-DLBZAZTESA-N 2 1 299.418 2.037 20 0 CEADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662839983 414768430 /nfs/dbraw/zinc/76/84/30/414768430.db2.gz WBNMHWXGAWZTOT-DLTWYDFYSA-N 2 1 293.455 2.027 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000070359413 414771742 /nfs/dbraw/zinc/77/17/42/414771742.db2.gz JYESITPEYQATNY-UONOGXRCSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)N2[C@H](C)CCC[C@H]2C)[C@H]1CC[NH3+] ZINC000404379085 414782476 /nfs/dbraw/zinc/78/24/76/414782476.db2.gz SZMYLMSUOOPQEN-FPCVCCKLSA-N 2 1 295.471 2.225 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)[C@H]1CC[NH3+] ZINC000404379097 414784106 /nfs/dbraw/zinc/78/41/06/414784106.db2.gz SZMYLMSUOOPQEN-WCVJEAGWSA-N 2 1 295.471 2.225 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)CC1(c2ccccc2)CC1 ZINC000660367814 414785038 /nfs/dbraw/zinc/78/50/38/414785038.db2.gz RISMVWDOGIZRNS-KRWDZBQOSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CC1(c2ccccc2)CC1 ZINC000660367814 414785044 /nfs/dbraw/zinc/78/50/44/414785044.db2.gz RISMVWDOGIZRNS-KRWDZBQOSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC1(c2ccccc2)CC1 ZINC000660367814 414785050 /nfs/dbraw/zinc/78/50/50/414785050.db2.gz RISMVWDOGIZRNS-KRWDZBQOSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CC1(c2ccccc2)CC1 ZINC000660367814 414785052 /nfs/dbraw/zinc/78/50/52/414785052.db2.gz RISMVWDOGIZRNS-KRWDZBQOSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000660367814 414785057 /nfs/dbraw/zinc/78/50/57/414785057.db2.gz RISMVWDOGIZRNS-KRWDZBQOSA-N 2 1 290.451 2.351 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2)CC[C@@H]1[NH3+] ZINC000122271729 414788503 /nfs/dbraw/zinc/78/85/03/414788503.db2.gz BCQRGEJRDDEJAS-KGLIPLIRSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2)CC[C@@H]1[NH3+] ZINC000122271729 414788508 /nfs/dbraw/zinc/78/85/08/414788508.db2.gz BCQRGEJRDDEJAS-KGLIPLIRSA-N 2 1 278.396 2.263 20 0 CEADMP COCc1csc(C[NH2+]CCn2cc[nH+]c2C)c1 ZINC000657338093 414868024 /nfs/dbraw/zinc/86/80/24/414868024.db2.gz PKNHBWYYBRHDAX-UHFFFAOYSA-N 2 1 265.382 2.189 20 0 CEADMP COC[C@H](C)Oc1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000657287736 414831450 /nfs/dbraw/zinc/83/14/50/414831450.db2.gz UKRIJANYTIVIBU-AWEZNQCLSA-N 2 1 280.412 2.142 20 0 CEADMP CC1CC[NH+](CCC[NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657294222 414839900 /nfs/dbraw/zinc/83/99/00/414839900.db2.gz ISIOZZTVXNESLP-UHFFFAOYSA-N 2 1 276.428 2.041 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000311847870 414862962 /nfs/dbraw/zinc/86/29/62/414862962.db2.gz VHWLIJXDYWUCBW-MRXNPFEDSA-N 2 1 262.397 2.353 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653110764 414908919 /nfs/dbraw/zinc/90/89/19/414908919.db2.gz TVVNYURIMDIHDE-HZPDHXFCSA-N 2 1 295.471 2.147 20 0 CEADMP CCCCOCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654334 414917277 /nfs/dbraw/zinc/91/72/77/414917277.db2.gz FNMDEAVHXDEARF-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP CCCCOCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654334 414917280 /nfs/dbraw/zinc/91/72/80/414917280.db2.gz FNMDEAVHXDEARF-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP CCCCOCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654334 414917283 /nfs/dbraw/zinc/91/72/83/414917283.db2.gz FNMDEAVHXDEARF-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660653821 414917808 /nfs/dbraw/zinc/91/78/08/414917808.db2.gz BGLNPOMPOFXUDA-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CC(C)CCOCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660653821 414917812 /nfs/dbraw/zinc/91/78/12/414917812.db2.gz BGLNPOMPOFXUDA-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CC(C)CCOCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660653821 414917815 /nfs/dbraw/zinc/91/78/15/414917815.db2.gz BGLNPOMPOFXUDA-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CC1CC[NH+](CCN2CCC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000660659922 414919062 /nfs/dbraw/zinc/91/90/62/414919062.db2.gz SPKKNUDWVAKSNK-KRWDZBQOSA-N 2 1 279.472 2.136 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1cn3ccccc3n1)C2 ZINC000660656445 414920617 /nfs/dbraw/zinc/92/06/17/414920617.db2.gz SAYCWVBYVTZQJQ-KRWDZBQOSA-N 2 1 284.407 2.252 20 0 CEADMP Cc1cccc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000660658612 414921796 /nfs/dbraw/zinc/92/17/96/414921796.db2.gz HWWKNBJQBJHONM-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(N)c1)C2 ZINC000660663013 414924524 /nfs/dbraw/zinc/92/45/24/414924524.db2.gz MMOZMSWHARYPPR-MRXNPFEDSA-N 2 1 259.397 2.187 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(F)c(F)c2F)CC1 ZINC000657427033 414929783 /nfs/dbraw/zinc/92/97/83/414929783.db2.gz IVMVLXNOUOISHF-UHFFFAOYSA-N 2 1 270.298 2.455 20 0 CEADMP C[C@H](CC[NH2+]Cc1cnn2c1CCC2)[NH+]1CCCCC1 ZINC000657432561 414933491 /nfs/dbraw/zinc/93/34/91/414933491.db2.gz HEDSGDWOOOWRBY-CQSZACIVSA-N 2 1 276.428 2.183 20 0 CEADMP CC(C)C[NH2+]C1(CO)CC[NH+](CC2=CCCC2)CC1 ZINC000660695024 414936060 /nfs/dbraw/zinc/93/60/60/414936060.db2.gz CHYNNZZOMOXCMQ-UHFFFAOYSA-N 2 1 266.429 2.169 20 0 CEADMP CC(C)C[NH2+]C1(CO)CC[NH+](C2CC(OC(C)C)C2)CC1 ZINC000660696158 414936325 /nfs/dbraw/zinc/93/63/25/414936325.db2.gz NYMBFQYMQBPKBU-UHFFFAOYSA-N 2 1 298.471 2.015 20 0 CEADMP CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC000660690849 414937579 /nfs/dbraw/zinc/93/75/79/414937579.db2.gz CWNUUJZFUCHQOL-KGLIPLIRSA-N 2 1 258.450 2.492 20 0 CEADMP CCCn1nccc1C[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000657336999 414868328 /nfs/dbraw/zinc/86/83/28/414868328.db2.gz DLQMMKPODOGDLP-AWEZNQCLSA-N 2 1 264.417 2.115 20 0 CEADMP CCCn1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000657336999 414868335 /nfs/dbraw/zinc/86/83/35/414868335.db2.gz DLQMMKPODOGDLP-AWEZNQCLSA-N 2 1 264.417 2.115 20 0 CEADMP c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000314704126 414870320 /nfs/dbraw/zinc/87/03/20/414870320.db2.gz HCGXHZXLSIOHJD-XHSDSOJGSA-N 2 1 286.419 2.484 20 0 CEADMP COCc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000657355704 414882563 /nfs/dbraw/zinc/88/25/63/414882563.db2.gz ZWUMAHBSQDKETI-LBPRGKRZSA-N 2 1 268.426 2.326 20 0 CEADMP CC[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[NH+](CC)CC ZINC000654309518 414896828 /nfs/dbraw/zinc/89/68/28/414896828.db2.gz AWMSVAOIJIYLSO-OAGGEKHMSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)[C@H](C)Cc1cccc(F)c1 ZINC000660781806 414971797 /nfs/dbraw/zinc/97/17/97/414971797.db2.gz WVBWGHGBEHDAKA-RHSMWYFYSA-N 2 1 296.430 2.390 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)Cc1cccc(F)c1 ZINC000660781806 414971802 /nfs/dbraw/zinc/97/18/02/414971802.db2.gz WVBWGHGBEHDAKA-RHSMWYFYSA-N 2 1 296.430 2.390 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)Cc1cccc(F)c1 ZINC000660781806 414971809 /nfs/dbraw/zinc/97/18/09/414971809.db2.gz WVBWGHGBEHDAKA-RHSMWYFYSA-N 2 1 296.430 2.390 20 0 CEADMP CC[NH+](CC)CCCN1CCC[N@@H+](CC)C[C@H]1C ZINC000660788428 414975113 /nfs/dbraw/zinc/97/51/13/414975113.db2.gz ZYWFTEFARGIMLI-OAHLLOKOSA-N 2 1 255.450 2.134 20 0 CEADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](F)[C@H](N)C2)cc1C ZINC000663505576 414975715 /nfs/dbraw/zinc/97/57/15/414975715.db2.gz AMEAGOWFGGTMRW-HUUCEWRRSA-N 2 1 250.361 2.483 20 0 CEADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](F)[C@H](N)C2)cc1C ZINC000663505576 414975718 /nfs/dbraw/zinc/97/57/18/414975718.db2.gz AMEAGOWFGGTMRW-HUUCEWRRSA-N 2 1 250.361 2.483 20 0 CEADMP C[NH2+]C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000663508822 414976944 /nfs/dbraw/zinc/97/69/44/414976944.db2.gz FPIAFRLDAPVIEF-ZMSDIMECSA-N 2 1 275.440 2.237 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCOCCc1ccccc1 ZINC000653298915 414979022 /nfs/dbraw/zinc/97/90/22/414979022.db2.gz RUQXVFKEZVENDC-RDJZCZTQSA-N 2 1 276.424 2.447 20 0 CEADMP CC1(C)COCC[N@@H+]1CCNc1[nH+]ccc2[nH]ccc21 ZINC000663537227 414984530 /nfs/dbraw/zinc/98/45/30/414984530.db2.gz DNVLJXJRWPAJTM-UHFFFAOYSA-N 2 1 274.368 2.086 20 0 CEADMP CC1(C)COCC[N@H+]1CCNc1[nH+]ccc2[nH]ccc21 ZINC000663537227 414984534 /nfs/dbraw/zinc/98/45/34/414984534.db2.gz DNVLJXJRWPAJTM-UHFFFAOYSA-N 2 1 274.368 2.086 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)[C@@H]1CC1(C)C ZINC000660823288 414989882 /nfs/dbraw/zinc/98/98/82/414989882.db2.gz IYOIYVUJIQPWQO-IHRRRGAJSA-N 2 1 256.434 2.102 20 0 CEADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465843 414962272 /nfs/dbraw/zinc/96/22/72/414962272.db2.gz LSCPLUVWWLZPFJ-JKSUJKDBSA-N 2 1 288.439 2.430 20 0 CEADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465843 414962276 /nfs/dbraw/zinc/96/22/76/414962276.db2.gz LSCPLUVWWLZPFJ-JKSUJKDBSA-N 2 1 288.439 2.430 20 0 CEADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C(C)C ZINC000663466913 414962979 /nfs/dbraw/zinc/96/29/79/414962979.db2.gz BGDWRADEJCBAII-HOTGVXAUSA-N 2 1 268.445 2.369 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000653612948 415053352 /nfs/dbraw/zinc/05/33/52/415053352.db2.gz NTAWVTBGEVTYEK-SJORKVTESA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000653612948 415053356 /nfs/dbraw/zinc/05/33/56/415053356.db2.gz NTAWVTBGEVTYEK-SJORKVTESA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000653612948 415053361 /nfs/dbraw/zinc/05/33/61/415053361.db2.gz NTAWVTBGEVTYEK-SJORKVTESA-N 2 1 276.424 2.097 20 0 CEADMP CCn1ccc(C[N@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000653638130 415061689 /nfs/dbraw/zinc/06/16/89/415061689.db2.gz GSMUQZSBHGSFDO-UHFFFAOYSA-N 2 1 260.385 2.306 20 0 CEADMP CCn1ccc(C[N@@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000653638130 415061695 /nfs/dbraw/zinc/06/16/95/415061695.db2.gz GSMUQZSBHGSFDO-UHFFFAOYSA-N 2 1 260.385 2.306 20 0 CEADMP Cc1cc(CO)cc(NCC(C)(C)C[NH+]2CCCC2)[nH+]1 ZINC000663838693 415066022 /nfs/dbraw/zinc/06/60/22/415066022.db2.gz ASKFGHYPWPVJBD-UHFFFAOYSA-N 2 1 277.412 2.416 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000657795634 415082805 /nfs/dbraw/zinc/08/28/05/415082805.db2.gz MHYGFUHOQABPMO-KDOFPFPSSA-N 2 1 299.418 2.402 20 0 CEADMP CNC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000653542724 415028604 /nfs/dbraw/zinc/02/86/04/415028604.db2.gz ZTLHDGQMWKTLID-INIZCTEOSA-N 2 1 295.471 2.101 20 0 CEADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C(F)F ZINC000658001184 415149977 /nfs/dbraw/zinc/14/99/77/415149977.db2.gz CHTIGKDVMLROKU-GFCCVEGCSA-N 2 1 291.430 2.282 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657843667 415102409 /nfs/dbraw/zinc/10/24/09/415102409.db2.gz FWUOGIYHSCBOJK-ZIAGYGMSSA-N 2 1 262.401 2.040 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657843667 415102414 /nfs/dbraw/zinc/10/24/14/415102414.db2.gz FWUOGIYHSCBOJK-ZIAGYGMSSA-N 2 1 262.401 2.040 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657869523 415109424 /nfs/dbraw/zinc/10/94/24/415109424.db2.gz JJPULFONQGPZGG-GXTWGEPZSA-N 2 1 263.385 2.129 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCn2nccc21 ZINC000657869728 415109562 /nfs/dbraw/zinc/10/95/62/415109562.db2.gz LFHJXTKQYNRANI-JSGCOSHPSA-N 2 1 273.384 2.149 20 0 CEADMP Cc1cc(CO)cc(NC2CC[NH+](C3CCC3)CC2)[nH+]1 ZINC000663982585 415110591 /nfs/dbraw/zinc/11/05/91/415110591.db2.gz ZBAGONHYCVRKEY-UHFFFAOYSA-N 2 1 275.396 2.311 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657890078 415114440 /nfs/dbraw/zinc/11/44/40/415114440.db2.gz QQKMLJQHMWXYMZ-CQSZACIVSA-N 2 1 263.385 2.273 20 0 CEADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000657974349 415142289 /nfs/dbraw/zinc/14/22/89/415142289.db2.gz ODPQZDRKIDNMMY-HOTGVXAUSA-N 2 1 296.842 2.317 20 0 CEADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000657974349 415142294 /nfs/dbraw/zinc/14/22/94/415142294.db2.gz ODPQZDRKIDNMMY-HOTGVXAUSA-N 2 1 296.842 2.317 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C(C)(C)C)[C@@H](C)C1 ZINC000658057572 415179694 /nfs/dbraw/zinc/17/96/94/415179694.db2.gz PGFJEWRCPJKAQO-KKUMJFAQSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C(C)(C)C)[C@@H](C)C1 ZINC000658057572 415179697 /nfs/dbraw/zinc/17/96/97/415179697.db2.gz PGFJEWRCPJKAQO-KKUMJFAQSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C(C)(C)C)[C@@H](C)C1 ZINC000658057572 415179703 /nfs/dbraw/zinc/17/97/03/415179703.db2.gz PGFJEWRCPJKAQO-KKUMJFAQSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)[C@@H](C)C1 ZINC000658057572 415179711 /nfs/dbraw/zinc/17/97/11/415179711.db2.gz PGFJEWRCPJKAQO-KKUMJFAQSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)[C@@H](C)C1 ZINC000658057572 415179714 /nfs/dbraw/zinc/17/97/14/415179714.db2.gz PGFJEWRCPJKAQO-KKUMJFAQSA-N 2 1 267.461 2.179 20 0 CEADMP COC1CC(CC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000658059942 415184730 /nfs/dbraw/zinc/18/47/30/415184730.db2.gz LZKVWOFDSKCNGQ-UHFFFAOYSA-N 2 1 252.402 2.018 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cnn(CC)c2)CC1 ZINC000044495473 175182588 /nfs/dbraw/zinc/18/25/88/175182588.db2.gz SXVCBUUWPSBFAL-CYBMUJFWSA-N 2 1 264.417 2.428 20 0 CEADMP CC[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000658091549 415205853 /nfs/dbraw/zinc/20/58/53/415205853.db2.gz UGVCFURATBNXAH-NWANDNLSSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000658091549 415205862 /nfs/dbraw/zinc/20/58/62/415205862.db2.gz UGVCFURATBNXAH-NWANDNLSSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360534860 287301181 /nfs/dbraw/zinc/30/11/81/287301181.db2.gz KYFBURHPHZNARY-PMPSAXMXSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1[nH]c2nc[nH+]c(NCC[C@@H](C)[NH+](C)C)c2c1C ZINC000664243876 415240605 /nfs/dbraw/zinc/24/06/05/415240605.db2.gz GTKXQEWQQNQFCW-SECBINFHSA-N 2 1 261.373 2.327 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229929 415264601 /nfs/dbraw/zinc/26/46/01/415264601.db2.gz VAZPMKHWFIYSNV-IJEWVQPXSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229929 415264606 /nfs/dbraw/zinc/26/46/06/415264606.db2.gz VAZPMKHWFIYSNV-IJEWVQPXSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc(C2CC2)ns1 ZINC000664196035 415221813 /nfs/dbraw/zinc/22/18/13/415221813.db2.gz GOGQDGZBFNXQHG-NSHDSACASA-N 2 1 297.472 2.099 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc(C2CC2)ns1 ZINC000664196035 415221816 /nfs/dbraw/zinc/22/18/16/415221816.db2.gz GOGQDGZBFNXQHG-NSHDSACASA-N 2 1 297.472 2.099 20 0 CEADMP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000658304052 415307402 /nfs/dbraw/zinc/30/74/02/415307402.db2.gz DOUHBNOZCGRCKA-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)[C@H](C)C1 ZINC000658323357 415319289 /nfs/dbraw/zinc/31/92/89/415319289.db2.gz PRESFVCUVOGKHW-CHWSQXEVSA-N 2 1 290.398 2.247 20 0 CEADMP CN(C[C@@H](O)C[N@H+]1CC[C@@H](C2CCCCC2)C1)C1CC1 ZINC000661579594 415336051 /nfs/dbraw/zinc/33/60/51/415336051.db2.gz XWWXSTCIQWXUGH-NVXWUHKLSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](C2CCCCC2)C1)C1CC1 ZINC000661579594 415336058 /nfs/dbraw/zinc/33/60/58/415336058.db2.gz XWWXSTCIQWXUGH-NVXWUHKLSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](C2CCCCC2)C1)C1CC1 ZINC000661579594 415336066 /nfs/dbraw/zinc/33/60/66/415336066.db2.gz XWWXSTCIQWXUGH-NVXWUHKLSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](C2CCCCC2)C1)C1CC1 ZINC000661579594 415336072 /nfs/dbraw/zinc/33/60/72/415336072.db2.gz XWWXSTCIQWXUGH-NVXWUHKLSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](C2CCCCC2)C1)C1CC1 ZINC000661579594 415336078 /nfs/dbraw/zinc/33/60/78/415336078.db2.gz XWWXSTCIQWXUGH-NVXWUHKLSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CS1 ZINC000655697943 415394351 /nfs/dbraw/zinc/39/43/51/415394351.db2.gz SFBNXWQZNSDUTJ-AAEUAGOBSA-N 2 1 254.443 2.487 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000655701282 415397238 /nfs/dbraw/zinc/39/72/38/415397238.db2.gz QYVILDRIJVYKSL-CZUORRHYSA-N 2 1 266.429 2.266 20 0 CEADMP CC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000655728415 415415119 /nfs/dbraw/zinc/41/51/19/415415119.db2.gz YQUBRQWLURNQOO-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)[C@@H](C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655726834 415416732 /nfs/dbraw/zinc/41/67/32/415416732.db2.gz QCVUYJVLJAVLFD-ZFWWWQNUSA-N 2 1 254.418 2.121 20 0 CEADMP FC1(F)CCC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655735435 415422899 /nfs/dbraw/zinc/42/28/99/415422899.db2.gz VKWBCLAKEDWAFU-KGLIPLIRSA-N 2 1 288.382 2.407 20 0 CEADMP FC1(F)CCC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655735437 415423398 /nfs/dbraw/zinc/42/33/98/415423398.db2.gz VKWBCLAKEDWAFU-ZIAGYGMSSA-N 2 1 288.382 2.407 20 0 CEADMP c1ccc(CCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655684379 415383621 /nfs/dbraw/zinc/38/36/21/415383621.db2.gz QKFIBRJBIXFRHL-GOSISDBHSA-N 2 1 288.435 2.462 20 0 CEADMP CCCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655684359 415384536 /nfs/dbraw/zinc/38/45/36/415384536.db2.gz PEOBPNWPSLSXSI-OAHLLOKOSA-N 2 1 254.418 2.410 20 0 CEADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000655683227 415385070 /nfs/dbraw/zinc/38/50/70/415385070.db2.gz AJASZKOLAUKMLD-INIZCTEOSA-N 2 1 266.429 2.410 20 0 CEADMP c1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655683530 415385092 /nfs/dbraw/zinc/38/50/92/415385092.db2.gz GNULYIJOAGJCIM-KRWDZBQOSA-N 2 1 274.408 2.072 20 0 CEADMP CO[C@](C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000655770119 415448066 /nfs/dbraw/zinc/44/80/66/415448066.db2.gz YRFPDROEXBZSKE-DLBZAZTESA-N 2 1 296.455 2.035 20 0 CEADMP CC(F)(F)CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655771223 415450973 /nfs/dbraw/zinc/45/09/73/415450973.db2.gz DDAJUFHPEMEVCR-CYBMUJFWSA-N 2 1 276.371 2.265 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000655834637 415507317 /nfs/dbraw/zinc/50/73/17/415507317.db2.gz QJJXFLQLDOOXKI-MWQQHZPXSA-N 2 1 273.424 2.475 20 0 CEADMP C1CC1[NH+]1CCC(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655850415 415518948 /nfs/dbraw/zinc/51/89/48/415518948.db2.gz IOEFKXOEMPOALK-IRXDYDNUSA-N 2 1 277.456 2.220 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1noc2ccccc21 ZINC000655937571 415557476 /nfs/dbraw/zinc/55/74/76/415557476.db2.gz AKZITINTHIKDAS-RYUDHWBXSA-N 2 1 259.353 2.039 20 0 CEADMP CCC(C)(C)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000655948101 415559464 /nfs/dbraw/zinc/55/94/64/415559464.db2.gz YBQLQPKMIPHNRO-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@H](OC3CCC3)C2)CC[NH2+]C1 ZINC000656193750 415628684 /nfs/dbraw/zinc/62/86/84/415628684.db2.gz RFRQGDUBWLSANY-LSDHHAIUSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](OC3CCC3)C2)CC[NH2+]1 ZINC000656193715 415629714 /nfs/dbraw/zinc/62/97/14/415629714.db2.gz PZOUWLWZZRNULF-YCPHGPKFSA-N 2 1 266.429 2.408 20 0 CEADMP COC[C@H](CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)OC ZINC000665234490 415635554 /nfs/dbraw/zinc/63/55/54/415635554.db2.gz DKEYCGUOWCKGIP-IKGGRYGDSA-N 2 1 292.423 2.121 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000665236079 415637860 /nfs/dbraw/zinc/63/78/60/415637860.db2.gz GZBIABHGUXWJKY-CAOSSQGBSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665236357 415638926 /nfs/dbraw/zinc/63/89/26/415638926.db2.gz LIDWLNWVPRDZEE-XIRDDKMYSA-N 2 1 289.467 2.407 20 0 CEADMP C[C@H]1COCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258472 415653758 /nfs/dbraw/zinc/65/37/58/415653758.db2.gz ACCGBSYAHZXRFN-WBQNTZJQSA-N 2 1 292.398 2.286 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258612 415654552 /nfs/dbraw/zinc/65/45/52/415654552.db2.gz GFBZQSMFXKVTOF-IAOVAPTHSA-N 3 1 293.430 2.378 20 0 CEADMP Cc1cc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c(C)s1 ZINC000662151198 415656332 /nfs/dbraw/zinc/65/63/32/415656332.db2.gz GAQZMZCXQWBHJR-INIZCTEOSA-N 2 1 294.464 2.396 20 0 CEADMP Cc1cc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(C)s1 ZINC000662151198 415656337 /nfs/dbraw/zinc/65/63/37/415656337.db2.gz GAQZMZCXQWBHJR-INIZCTEOSA-N 2 1 294.464 2.396 20 0 CEADMP Cc1cc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c(C)s1 ZINC000662151198 415656344 /nfs/dbraw/zinc/65/63/44/415656344.db2.gz GAQZMZCXQWBHJR-INIZCTEOSA-N 2 1 294.464 2.396 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)[C@H]1CCC[NH2+]1 ZINC000665263354 415656705 /nfs/dbraw/zinc/65/67/05/415656705.db2.gz LBFYEZFGACCFNJ-QSPRXWTASA-N 2 1 274.408 2.289 20 0 CEADMP O[C@H]1CC[N@@H+](C2CC[NH+]([C@@H]3CCc4ccccc43)CC2)C1 ZINC000662152735 415656935 /nfs/dbraw/zinc/65/69/35/415656935.db2.gz YRDJFEYRVNEWLL-FUHWJXTLSA-N 2 1 286.419 2.205 20 0 CEADMP O[C@H]1CC[N@H+](C2CC[NH+]([C@@H]3CCc4ccccc43)CC2)C1 ZINC000662152735 415656941 /nfs/dbraw/zinc/65/69/41/415656941.db2.gz YRDJFEYRVNEWLL-FUHWJXTLSA-N 2 1 286.419 2.205 20 0 CEADMP C[C@@H](c1ccccc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153774 415657183 /nfs/dbraw/zinc/65/71/83/415657183.db2.gz CBNINLVSFPKWTL-WMLDXEAASA-N 2 1 274.408 2.279 20 0 CEADMP C[C@@H](c1ccccc1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153774 415657190 /nfs/dbraw/zinc/65/71/90/415657190.db2.gz CBNINLVSFPKWTL-WMLDXEAASA-N 2 1 274.408 2.279 20 0 CEADMP C[C@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000665266709 415658083 /nfs/dbraw/zinc/65/80/83/415658083.db2.gz IDDVEWVHJAJTMQ-DZKIICNBSA-N 2 1 265.445 2.124 20 0 CEADMP CO[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283969 415672413 /nfs/dbraw/zinc/67/24/13/415672413.db2.gz XWUIIZQGUYXFKQ-YUELXQCFSA-N 2 1 254.418 2.312 20 0 CEADMP CCOCCC[N@H+]1CC[C@H](NCC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000665280976 415673364 /nfs/dbraw/zinc/67/33/64/415673364.db2.gz QVWMKQBSISLYOS-ZACQAIPSSA-N 2 1 299.503 2.086 20 0 CEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000665280976 415673367 /nfs/dbraw/zinc/67/33/67/415673367.db2.gz QVWMKQBSISLYOS-ZACQAIPSSA-N 3 1 299.503 2.086 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000665280976 415673374 /nfs/dbraw/zinc/67/33/74/415673374.db2.gz QVWMKQBSISLYOS-ZACQAIPSSA-N 3 1 299.503 2.086 20 0 CEADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291632 415680680 /nfs/dbraw/zinc/68/06/80/415680680.db2.gz GZLVVNNCIGSQKH-RISCZKNCSA-N 2 1 298.390 2.287 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299976 415686973 /nfs/dbraw/zinc/68/69/73/415686973.db2.gz VWIDKRLKAAUVHF-HOCLYGCPSA-N 3 1 267.461 2.216 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000071146214 176042434 /nfs/dbraw/zinc/04/24/34/176042434.db2.gz SAEKFFDCGYVXHS-ZDUSSCGKSA-N 2 1 286.375 2.143 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000071146214 176042436 /nfs/dbraw/zinc/04/24/36/176042436.db2.gz SAEKFFDCGYVXHS-ZDUSSCGKSA-N 2 1 286.375 2.143 20 0 CEADMP C[N@@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CCCC1 ZINC000071376571 176141150 /nfs/dbraw/zinc/14/11/50/176141150.db2.gz JLADTVXLSBPHBQ-VHRNVKJDSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+](CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCCC1 ZINC000071376571 176141152 /nfs/dbraw/zinc/14/11/52/176141152.db2.gz JLADTVXLSBPHBQ-VHRNVKJDSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+](CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000071376571 176141153 /nfs/dbraw/zinc/14/11/53/176141153.db2.gz JLADTVXLSBPHBQ-VHRNVKJDSA-N 2 1 265.445 2.076 20 0 CEADMP Oc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662252623 415716750 /nfs/dbraw/zinc/71/67/50/415716750.db2.gz BYZMMUWPMRYVJC-HZPDHXFCSA-N 2 1 288.391 2.050 20 0 CEADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+](C1CC1)C1CCCCC1 ZINC000662251082 415717425 /nfs/dbraw/zinc/71/74/25/415717425.db2.gz XOGAPNYXXNPCSJ-HNNXBMFYSA-N 2 1 264.413 2.305 20 0 CEADMP CC(C)CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662252768 415717997 /nfs/dbraw/zinc/71/79/97/415717997.db2.gz SXQIBWNCKXJPCU-AWEZNQCLSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254964 415718800 /nfs/dbraw/zinc/71/88/00/415718800.db2.gz MZOSIDPFPPXSND-QPSCCSFWSA-N 2 1 264.413 2.160 20 0 CEADMP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C)c1cccc(O)c1 ZINC000662253965 415720831 /nfs/dbraw/zinc/72/08/31/415720831.db2.gz ZUZFTFHEQDRVAF-CZUORRHYSA-N 2 1 290.407 2.296 20 0 CEADMP CC[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256345 415726070 /nfs/dbraw/zinc/72/60/70/415726070.db2.gz VEDBWONWYDMRDN-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@H]([NH3+])c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468299 415726777 /nfs/dbraw/zinc/72/67/77/415726777.db2.gz JMCDTRGJTTZUMX-HOTGVXAUSA-N 2 1 299.422 2.210 20 0 CEADMP C[N@@H+](CCc1ccc2c(c1)OC(F)(F)O2)C1CC[NH2+]CC1 ZINC000662236573 415702566 /nfs/dbraw/zinc/70/25/66/415702566.db2.gz FNPFWDFWGLGXSJ-UHFFFAOYSA-N 2 1 298.333 2.234 20 0 CEADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@@H](C[NH3+])C3)on2)cc1 ZINC000662246789 415707230 /nfs/dbraw/zinc/70/72/30/415707230.db2.gz RQJNQNWSOAEUEQ-LBPRGKRZSA-N 2 1 287.363 2.131 20 0 CEADMP COc1ccc(-c2cc(C[N@H+]3CC[C@@H](C[NH3+])C3)on2)cc1 ZINC000662246789 415707233 /nfs/dbraw/zinc/70/72/33/415707233.db2.gz RQJNQNWSOAEUEQ-LBPRGKRZSA-N 2 1 287.363 2.131 20 0 CEADMP COc1ccc([C@@H](C)[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249516 415709540 /nfs/dbraw/zinc/70/95/40/415709540.db2.gz WAOHRHSXKYLOGI-CZUORRHYSA-N 2 1 290.407 2.209 20 0 CEADMP CC[N@H+](Cc1ccccc1C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250213 415710841 /nfs/dbraw/zinc/71/08/41/415710841.db2.gz AWZPBANMQQRVCD-INIZCTEOSA-N 2 1 274.408 2.338 20 0 CEADMP CC[N@H+](Cc1ccccc1C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250214 415711836 /nfs/dbraw/zinc/71/18/36/415711836.db2.gz AWZPBANMQQRVCD-MRXNPFEDSA-N 2 1 274.408 2.338 20 0 CEADMP C[C@H](c1ccccc1F)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250738 415715067 /nfs/dbraw/zinc/71/50/67/415715067.db2.gz NCVGEEQJNVWCJK-CHWSQXEVSA-N 2 1 278.371 2.340 20 0 CEADMP CO[C@@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCCC1 ZINC000662272714 415740449 /nfs/dbraw/zinc/74/04/49/415740449.db2.gz HBTSFFOBRRHFIX-XHSDSOJGSA-N 2 1 266.429 2.123 20 0 CEADMP CC1CCN(C(=[NH2+])NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000656508511 415745668 /nfs/dbraw/zinc/74/56/68/415745668.db2.gz JDZMUZSVOHLQNF-AWEZNQCLSA-N 2 1 280.460 2.363 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)C1CCCCC1 ZINC000662283008 415747991 /nfs/dbraw/zinc/74/79/91/415747991.db2.gz FSLKBPOVEFAUAP-VHDGCEQUSA-N 2 1 254.418 2.393 20 0 CEADMP CCc1nocc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000662283442 415749611 /nfs/dbraw/zinc/74/96/11/415749611.db2.gz OHGTZYIZKWGJCX-TUAOUCFPSA-N 2 1 251.374 2.042 20 0 CEADMP CCc1nocc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000662283442 415749616 /nfs/dbraw/zinc/74/96/16/415749616.db2.gz OHGTZYIZKWGJCX-TUAOUCFPSA-N 2 1 251.374 2.042 20 0 CEADMP CCc1noc([C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662299020 415761166 /nfs/dbraw/zinc/76/11/66/415761166.db2.gz ZHBBGFQQVQYKDE-OCCSQVGLSA-N 2 1 292.427 2.405 20 0 CEADMP C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000662302420 415764272 /nfs/dbraw/zinc/76/42/72/415764272.db2.gz XQGSFYGPNQZJHI-RDTXWAMCSA-N 2 1 288.435 2.315 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@H]1CCO ZINC000662302301 415765266 /nfs/dbraw/zinc/76/52/66/415765266.db2.gz MHSNDAHLAJUTKD-KSSFIOAISA-N 2 1 288.435 2.315 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[NH2+][C@@H](c1ccccc1F)C(C)C ZINC000662302273 415765306 /nfs/dbraw/zinc/76/53/06/415765306.db2.gz LRBOOZAEEAJKCM-HUUCEWRRSA-N 2 1 268.376 2.083 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662321449 415776066 /nfs/dbraw/zinc/77/60/66/415776066.db2.gz INVZMTYPWUBGOW-OAHLLOKOSA-N 2 1 254.418 2.254 20 0 CEADMP FC1(F)C[C@@H]1OCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292695 415755373 /nfs/dbraw/zinc/75/53/73/415755373.db2.gz HRPPXTANPYCCMC-KBPBESRZSA-N 2 1 288.382 2.122 20 0 CEADMP CO[C@@H](C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)[C@H]1CCOC1 ZINC000659876676 415756589 /nfs/dbraw/zinc/75/65/89/415756589.db2.gz LCYVJJVOZQQQFV-IRXDYDNUSA-N 2 1 298.471 2.090 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C1CC1)C1CCCC1 ZINC000659910849 415777693 /nfs/dbraw/zinc/77/76/93/415777693.db2.gz UYYWQFXWWSBANA-HNNXBMFYSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C1CC1)C1CCCC1 ZINC000659910849 415777696 /nfs/dbraw/zinc/77/76/96/415777696.db2.gz UYYWQFXWWSBANA-HNNXBMFYSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C1CC1)C1CCCC1 ZINC000659910849 415777698 /nfs/dbraw/zinc/77/76/98/415777698.db2.gz UYYWQFXWWSBANA-HNNXBMFYSA-N 2 1 254.418 2.095 20 0 CEADMP COCCCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296503 415758978 /nfs/dbraw/zinc/75/89/78/415758978.db2.gz LEGRNLSIVAFYMA-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294542 415759050 /nfs/dbraw/zinc/75/90/50/415759050.db2.gz CJWMMFICXWMBPL-DZKIICNBSA-N 2 1 295.471 2.001 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC2(C)CCC2)CCO1 ZINC000662323961 415780970 /nfs/dbraw/zinc/78/09/70/415780970.db2.gz QZOOQKWSLNCFIY-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H](CC(F)(F)F)O1 ZINC000662326608 415784626 /nfs/dbraw/zinc/78/46/26/415784626.db2.gz XDUCDOPJLDFTGJ-FRRDWIJNSA-N 2 1 294.361 2.418 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)OC ZINC000659927732 415789463 /nfs/dbraw/zinc/78/94/63/415789463.db2.gz IKBANVRJAKJUGR-IKGGRYGDSA-N 2 1 298.471 2.234 20 0 CEADMP COC[C@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)OC ZINC000659927732 415789466 /nfs/dbraw/zinc/78/94/66/415789466.db2.gz IKBANVRJAKJUGR-IKGGRYGDSA-N 2 1 298.471 2.234 20 0 CEADMP COC[C@H](C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)OC ZINC000659927732 415789469 /nfs/dbraw/zinc/78/94/69/415789469.db2.gz IKBANVRJAKJUGR-IKGGRYGDSA-N 2 1 298.471 2.234 20 0 CEADMP C[N@@H+](C[C@H](O)CN[C@]1(c2ccccc2)CC1(C)C)C1CC1 ZINC000662340859 415792062 /nfs/dbraw/zinc/79/20/62/415792062.db2.gz NTNHZTLNLMNMKF-AEFFLSMTSA-N 2 1 288.435 2.357 20 0 CEADMP CN(C[C@H](O)C[NH2+][C@]1(c2ccccc2)CC1(C)C)C1CC1 ZINC000662340859 415792065 /nfs/dbraw/zinc/79/20/65/415792065.db2.gz NTNHZTLNLMNMKF-AEFFLSMTSA-N 2 1 288.435 2.357 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CCC1 ZINC000659947192 415799893 /nfs/dbraw/zinc/79/98/93/415799893.db2.gz JVCMBWZSFWHABY-GOEBONIOSA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC12CC=CC2 ZINC000656700707 415822862 /nfs/dbraw/zinc/82/28/62/415822862.db2.gz SQAUXRJUUBCKJJ-HOTGVXAUSA-N 2 1 280.456 2.364 20 0 CEADMP CC(C)[C@@H]1[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC12CC=CC2 ZINC000656700707 415822866 /nfs/dbraw/zinc/82/28/66/415822866.db2.gz SQAUXRJUUBCKJJ-HOTGVXAUSA-N 2 1 280.456 2.364 20 0 CEADMP CC(C)[C@@H]1[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC12CC=CC2 ZINC000656700707 415822871 /nfs/dbraw/zinc/82/28/71/415822871.db2.gz SQAUXRJUUBCKJJ-HOTGVXAUSA-N 2 1 280.456 2.364 20 0 CEADMP CC(C)[C@H]1[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC12CC=CC2 ZINC000656700709 415823102 /nfs/dbraw/zinc/82/31/02/415823102.db2.gz SQAUXRJUUBCKJJ-HZPDHXFCSA-N 2 1 280.456 2.364 20 0 CEADMP CC(C)[C@H]1[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC12CC=CC2 ZINC000656700709 415823106 /nfs/dbraw/zinc/82/31/06/415823106.db2.gz SQAUXRJUUBCKJJ-HZPDHXFCSA-N 2 1 280.456 2.364 20 0 CEADMP CC(C)[C@H]1[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC12CC=CC2 ZINC000656700709 415823110 /nfs/dbraw/zinc/82/31/10/415823110.db2.gz SQAUXRJUUBCKJJ-HZPDHXFCSA-N 2 1 280.456 2.364 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCC3CCC3)CC2)C1 ZINC000660073592 415869991 /nfs/dbraw/zinc/86/99/91/415869991.db2.gz DMESEFIVOCKHFD-KRWDZBQOSA-N 2 1 279.472 2.279 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000662592266 415896839 /nfs/dbraw/zinc/89/68/39/415896839.db2.gz INAKRFPMYQJKLM-ZQIUZPCESA-N 2 1 295.471 2.131 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](Cc1cccc(N)c1)CC2 ZINC000660166735 415911431 /nfs/dbraw/zinc/91/14/31/415911431.db2.gz DZJIXPMJGCNVBJ-UHFFFAOYSA-N 2 1 259.397 2.329 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](Cc1cccc(N)c1)CC2 ZINC000660166735 415911434 /nfs/dbraw/zinc/91/14/34/415911434.db2.gz DZJIXPMJGCNVBJ-UHFFFAOYSA-N 2 1 259.397 2.329 20 0 CEADMP c1cncc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785518 415860012 /nfs/dbraw/zinc/86/00/12/415860012.db2.gz LIMGUNVFSBINFV-INIZCTEOSA-N 2 1 259.397 2.293 20 0 CEADMP CC[C@H](NC[C@@H](O)C[N@@H+](C)C(C)C)c1c(C)noc1C ZINC000660260492 415946604 /nfs/dbraw/zinc/94/66/04/415946604.db2.gz TYWUTIPHSIWGGA-KGLIPLIRSA-N 2 1 283.416 2.033 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000360234345 287345042 /nfs/dbraw/zinc/34/50/42/287345042.db2.gz MYHIRZVMZCJNIZ-BZUAXINKSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000360234345 287345043 /nfs/dbraw/zinc/34/50/43/287345043.db2.gz MYHIRZVMZCJNIZ-BZUAXINKSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000360234345 287345044 /nfs/dbraw/zinc/34/50/44/287345044.db2.gz MYHIRZVMZCJNIZ-BZUAXINKSA-N 2 1 281.488 2.427 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442931644 227231217 /nfs/dbraw/zinc/23/12/17/227231217.db2.gz WJDWBSDBQCQTBP-CQSZACIVSA-N 2 1 272.396 2.204 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CC34CC[NH2+]CC4)CC[NH2+]2)cc1 ZINC000666955366 419492271 /nfs/dbraw/zinc/49/22/71/419492271.db2.gz BVNQGIRUPVJSDR-IXDOHACOSA-N 3 1 285.435 2.211 20 0 CEADMP COc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1F ZINC000666857894 419448885 /nfs/dbraw/zinc/44/88/85/419448885.db2.gz OORACWCSMLOODW-GFCCVEGCSA-N 2 1 252.333 2.066 20 0 CEADMP CC(C)(C[N@@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000667044391 419525823 /nfs/dbraw/zinc/52/58/23/419525823.db2.gz DJTFDISLURJUMZ-OAHLLOKOSA-N 2 1 262.397 2.014 20 0 CEADMP CC(C)(C[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000667044391 419525828 /nfs/dbraw/zinc/52/58/28/419525828.db2.gz DJTFDISLURJUMZ-OAHLLOKOSA-N 2 1 262.397 2.014 20 0 CEADMP C[C@@H](O)C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000666127359 419548248 /nfs/dbraw/zinc/54/82/48/419548248.db2.gz PTLJDXYTPJCNRA-HUUCEWRRSA-N 2 1 276.424 2.389 20 0 CEADMP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nc1 ZINC000666968907 419497513 /nfs/dbraw/zinc/49/75/13/419497513.db2.gz AZYJNGWGZWRDEQ-WMLDXEAASA-N 2 1 289.423 2.444 20 0 CEADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nc1 ZINC000666968907 419497519 /nfs/dbraw/zinc/49/75/19/419497519.db2.gz AZYJNGWGZWRDEQ-WMLDXEAASA-N 2 1 289.423 2.444 20 0 CEADMP CC[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667698124 419772190 /nfs/dbraw/zinc/77/21/90/419772190.db2.gz YTVIECBYCNPNGP-CYBMUJFWSA-N 2 1 256.353 2.499 20 0 CEADMP CC[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667698124 419772195 /nfs/dbraw/zinc/77/21/95/419772195.db2.gz YTVIECBYCNPNGP-CYBMUJFWSA-N 2 1 256.353 2.499 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)n(-c2cc[nH+]cc2)n1 ZINC000667694884 419773938 /nfs/dbraw/zinc/77/39/38/419773938.db2.gz BKSCIKBJRCDMGX-WMLDXEAASA-N 2 1 298.390 2.268 20 0 CEADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000517758079 260220457 /nfs/dbraw/zinc/22/04/57/260220457.db2.gz YMBZDFUZZOPXHJ-HZPDHXFCSA-N 2 1 280.456 2.415 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)[C@@H]1C ZINC000518011511 260335180 /nfs/dbraw/zinc/33/51/80/260335180.db2.gz UNLNZXBQKFKQIL-UGUYLWEFSA-N 2 1 296.455 2.284 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CC1(C)C ZINC000487309643 261693337 /nfs/dbraw/zinc/69/33/37/261693337.db2.gz LCQNCUDDGAMOOZ-ZNMIVQPWSA-N 2 1 268.445 2.248 20 0 CEADMP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000395137058 270345694 /nfs/dbraw/zinc/34/56/94/270345694.db2.gz FOWHSMCFCLUYKJ-BBRMVZONSA-N 2 1 262.397 2.358 20 0 CEADMP CCNC(=O)OC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000495815317 262313399 /nfs/dbraw/zinc/31/33/99/262313399.db2.gz YNRSNNAJKGWTSY-OAHLLOKOSA-N 2 1 297.443 2.073 20 0 CEADMP CCNC(=O)OC[C@H]1CCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000495815317 262313401 /nfs/dbraw/zinc/31/34/01/262313401.db2.gz YNRSNNAJKGWTSY-OAHLLOKOSA-N 2 1 297.443 2.073 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453428789 263272174 /nfs/dbraw/zinc/27/21/74/263272174.db2.gz QBRFHHQXZWZSJM-RDBSUJKOSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@H+](CCC1CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425953520 264071257 /nfs/dbraw/zinc/07/12/57/264071257.db2.gz WQNBMLHQJUYQIW-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP C[N@@H+](CCC1CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425953520 264071258 /nfs/dbraw/zinc/07/12/58/264071258.db2.gz WQNBMLHQJUYQIW-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP C[NH+](CCC1CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425953520 264071261 /nfs/dbraw/zinc/07/12/61/264071261.db2.gz WQNBMLHQJUYQIW-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP C[NH+](CCC1CC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425953520 264071263 /nfs/dbraw/zinc/07/12/63/264071263.db2.gz WQNBMLHQJUYQIW-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP CS[C@H]1CC[C@H]1[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000425363211 264135783 /nfs/dbraw/zinc/13/57/83/264135783.db2.gz WEWFGLSFRFHLCD-CABCVRRESA-N 2 1 286.485 2.359 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425416486 264295423 /nfs/dbraw/zinc/29/54/23/264295423.db2.gz ITGZGHZXXANYKP-CABCVRRESA-N 2 1 295.471 2.192 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000425419746 264296099 /nfs/dbraw/zinc/29/60/99/264296099.db2.gz NTXLDWGMLVALDJ-HZPDHXFCSA-N 2 1 266.429 2.362 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](OC)C2CC2)C1 ZINC000425424926 264313571 /nfs/dbraw/zinc/31/35/71/264313571.db2.gz XNZYVRHBULQCTL-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CC1CC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000184325242 270242886 /nfs/dbraw/zinc/24/28/86/270242886.db2.gz RADCJJOVFTXYQJ-HFDVOGEKSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC000188984856 270260338 /nfs/dbraw/zinc/26/03/38/270260338.db2.gz PHBJNWOZZODGPT-QGZVFWFLSA-N 2 1 299.418 2.149 20 0 CEADMP Cc1c([C@H](C)[NH2+]CCC[NH+](C)C)cnn1C(C)C ZINC000191107962 270271989 /nfs/dbraw/zinc/27/19/89/270271989.db2.gz YRXQNKJYFBGSEJ-LBPRGKRZSA-N 2 1 252.406 2.375 20 0 CEADMP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000191574394 270273289 /nfs/dbraw/zinc/27/32/89/270273289.db2.gz XTFLLIRRLPJLMF-RCCFBDPRSA-N 2 1 288.435 2.115 20 0 CEADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000191574362 270273873 /nfs/dbraw/zinc/27/38/73/270273873.db2.gz XTFLLIRRLPJLMF-KZNAEPCWSA-N 2 1 288.435 2.115 20 0 CEADMP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC1CCCC1 ZINC000227800897 270311934 /nfs/dbraw/zinc/31/19/34/270311934.db2.gz FIBRNNQUPMPCKG-IRXDYDNUSA-N 2 1 276.424 2.039 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800462 270312346 /nfs/dbraw/zinc/31/23/46/270312346.db2.gz CJBZNSMCNDQELI-ROUUACIJSA-N 2 1 284.403 2.049 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000235459067 270315475 /nfs/dbraw/zinc/31/54/75/270315475.db2.gz CRSNIWGFUBLIHR-BDAKNGLRSA-N 2 1 257.175 2.447 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000235459278 270315592 /nfs/dbraw/zinc/31/55/92/270315592.db2.gz YRRSABQUFOUUPG-BDAKNGLRSA-N 2 1 257.175 2.447 20 0 CEADMP COc1ccc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)cc1C ZINC000259139660 270329693 /nfs/dbraw/zinc/32/96/93/270329693.db2.gz XACHFCBTHPIRKP-CQSZACIVSA-N 2 1 262.397 2.435 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000397236467 270352056 /nfs/dbraw/zinc/35/20/56/270352056.db2.gz BOPCLHUEEMJFPA-UMVBOHGHSA-N 2 1 290.407 2.263 20 0 CEADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420377930 270531578 /nfs/dbraw/zinc/53/15/78/270531578.db2.gz SXBOLMGKGADTTQ-ZIAGYGMSSA-N 2 1 262.401 2.163 20 0 CEADMP CC[C@H]([NH2+]CCc1sc(C)nc1C)[C@@H]1CCC[NH2+]1 ZINC000422891001 270800259 /nfs/dbraw/zinc/80/02/59/270800259.db2.gz UGXJUMWWXZRVMS-STQMWFEESA-N 2 1 267.442 2.423 20 0 CEADMP C[C@@H]([NH2+]C[C@@](C)(CO)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423083411 270832002 /nfs/dbraw/zinc/83/20/02/270832002.db2.gz YUWDUTKHYLIXJL-NJAFHUGGSA-N 2 1 290.451 2.348 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1F ZINC000423323290 270897354 /nfs/dbraw/zinc/89/73/54/270897354.db2.gz OVJZADZHESKWEL-NOZJJQNGSA-N 2 1 252.333 2.222 20 0 CEADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423568595 270926175 /nfs/dbraw/zinc/92/61/75/270926175.db2.gz VQRGUPMVPIGYJI-HUUCEWRRSA-N 2 1 289.423 2.160 20 0 CEADMP C[C@@H]1C[C@H](N(C)C[C@@H](C[NH3+])c2ccc(F)cc2)CC[N@H+]1C ZINC000424305478 271042249 /nfs/dbraw/zinc/04/22/49/271042249.db2.gz SLAVYTDBRFLMRU-FRFSOERESA-N 2 1 293.430 2.283 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1cnc(N(C)C)s1)CC[NH2+]CC2 ZINC000424372635 271051396 /nfs/dbraw/zinc/05/13/96/271051396.db2.gz FXPRURIKXSDJNT-LBPRGKRZSA-N 2 1 294.468 2.173 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)n1 ZINC000424369340 271051543 /nfs/dbraw/zinc/05/15/43/271051543.db2.gz BGIBCRYIPQRRIR-CYBMUJFWSA-N 2 1 275.396 2.060 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)CC[N@@H+](C)C2CC2)c1 ZINC000424429666 271054473 /nfs/dbraw/zinc/05/44/73/271054473.db2.gz XJSHXTARPQTMQZ-UHFFFAOYSA-N 2 1 290.411 2.012 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000426507374 271223771 /nfs/dbraw/zinc/22/37/71/271223771.db2.gz DGNXITIMKZVNTC-RRFJBIMHSA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000426507375 271223865 /nfs/dbraw/zinc/22/38/65/271223865.db2.gz DGNXITIMKZVNTC-SOUVJXGZSA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000426507375 271223867 /nfs/dbraw/zinc/22/38/67/271223867.db2.gz DGNXITIMKZVNTC-SOUVJXGZSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@]1(C)CCCO1 ZINC000428244120 271249834 /nfs/dbraw/zinc/24/98/34/271249834.db2.gz VDMZJRMVIVFOLE-SWLSCSKDSA-N 2 1 252.402 2.160 20 0 CEADMP CCC[N@@H+](C)CC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000428423106 271264111 /nfs/dbraw/zinc/26/41/11/271264111.db2.gz SQJIULPHIRJBTR-UHFFFAOYSA-N 2 1 297.487 2.441 20 0 CEADMP Cc1nccn1CCCN1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000429387195 271327150 /nfs/dbraw/zinc/32/71/50/271327150.db2.gz KPJYDQVEWOHDPO-HNNXBMFYSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1[nH+]ccn1CCCN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429387195 271327153 /nfs/dbraw/zinc/32/71/53/271327153.db2.gz KPJYDQVEWOHDPO-HNNXBMFYSA-N 2 1 290.455 2.388 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430539395 271387494 /nfs/dbraw/zinc/38/74/94/271387494.db2.gz DQJUNBQNZKRHMZ-BZUAXINKSA-N 2 1 297.487 2.471 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430539395 271387496 /nfs/dbraw/zinc/38/74/96/271387496.db2.gz DQJUNBQNZKRHMZ-BZUAXINKSA-N 2 1 297.487 2.471 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)C1 ZINC000430549712 271388773 /nfs/dbraw/zinc/38/87/73/271388773.db2.gz JDFTYUKWWCCURY-CAOSSQGBSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)C1 ZINC000430549712 271388776 /nfs/dbraw/zinc/38/87/76/271388776.db2.gz JDFTYUKWWCCURY-CAOSSQGBSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000430551631 271388807 /nfs/dbraw/zinc/38/88/07/271388807.db2.gz MGWKNUJOZANYFX-OLZOCXBDSA-N 2 1 293.386 2.214 20 0 CEADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430583827 271394424 /nfs/dbraw/zinc/39/44/24/271394424.db2.gz NMBCIFMJXTYOIK-KGLIPLIRSA-N 2 1 283.460 2.083 20 0 CEADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430583827 271394427 /nfs/dbraw/zinc/39/44/27/271394427.db2.gz NMBCIFMJXTYOIK-KGLIPLIRSA-N 2 1 283.460 2.083 20 0 CEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000430577655 271394785 /nfs/dbraw/zinc/39/47/85/271394785.db2.gz CXUJRACPCQEIQG-HNNXBMFYSA-N 2 1 281.375 2.117 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000367635801 273511009 /nfs/dbraw/zinc/51/10/09/273511009.db2.gz MADZCOMTMBWWFG-HNNXBMFYSA-N 2 1 276.428 2.497 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCCc3cc(N)ccc32)CC1 ZINC000334858921 273870056 /nfs/dbraw/zinc/87/00/56/273870056.db2.gz ICRBNTDEUNLHLS-MRXNPFEDSA-N 2 1 259.397 2.330 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC000414834368 273963246 /nfs/dbraw/zinc/96/32/46/273963246.db2.gz HIYAGWJVJSVIMX-LLVKDONJSA-N 2 1 266.433 2.200 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000360038382 274336159 /nfs/dbraw/zinc/33/61/59/274336159.db2.gz NMWGXDCUFNFVJQ-SOLBZPMBSA-N 2 1 287.451 2.443 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000268889940 274355110 /nfs/dbraw/zinc/35/51/10/274355110.db2.gz ABEFMKGWYKJISY-OIISXLGYSA-N 2 1 274.408 2.276 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000268889940 274355111 /nfs/dbraw/zinc/35/51/11/274355111.db2.gz ABEFMKGWYKJISY-OIISXLGYSA-N 2 1 274.408 2.276 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1C ZINC000360062717 274393313 /nfs/dbraw/zinc/39/33/13/274393313.db2.gz WOQYFAYXHCEQND-UKPHBRMFSA-N 2 1 273.424 2.245 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1C ZINC000360062717 274393314 /nfs/dbraw/zinc/39/33/14/274393314.db2.gz WOQYFAYXHCEQND-UKPHBRMFSA-N 2 1 273.424 2.245 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1C ZINC000360062717 274393315 /nfs/dbraw/zinc/39/33/15/274393315.db2.gz WOQYFAYXHCEQND-UKPHBRMFSA-N 2 1 273.424 2.245 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+]1C ZINC000360062717 274393316 /nfs/dbraw/zinc/39/33/16/274393316.db2.gz WOQYFAYXHCEQND-UKPHBRMFSA-N 2 1 273.424 2.245 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)CS1 ZINC000372848286 276002862 /nfs/dbraw/zinc/00/28/62/276002862.db2.gz QMZJCPGYPPZSMV-AGIUHOORSA-N 2 1 265.426 2.318 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cncs2)[C@H](C)C1 ZINC000411397108 276224772 /nfs/dbraw/zinc/22/47/72/276224772.db2.gz YBYDUDCQKJKEGU-OCCSQVGLSA-N 2 1 267.442 2.348 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cncs2)[C@H](C)C1 ZINC000411397108 276224773 /nfs/dbraw/zinc/22/47/73/276224773.db2.gz YBYDUDCQKJKEGU-OCCSQVGLSA-N 2 1 267.442 2.348 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cncs2)[C@H](C)C1 ZINC000411397108 276224775 /nfs/dbraw/zinc/22/47/75/276224775.db2.gz YBYDUDCQKJKEGU-OCCSQVGLSA-N 2 1 267.442 2.348 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+]CCn2cc[nH+]c2C)CC1 ZINC000354216075 276272927 /nfs/dbraw/zinc/27/29/27/276272927.db2.gz LGJDLQQGVDTAME-UHFFFAOYSA-N 2 1 293.411 2.293 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000368349548 276324513 /nfs/dbraw/zinc/32/45/13/276324513.db2.gz SGWWSRYUYSXPIO-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C12CCC2 ZINC000363695767 276345658 /nfs/dbraw/zinc/34/56/58/276345658.db2.gz RZORSZLOBPMPAE-RBSFLKMASA-N 2 1 289.423 2.383 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2cccc3c2CCCN3)CC1 ZINC000334820982 277031081 /nfs/dbraw/zinc/03/10/81/277031081.db2.gz VRKMTCXZOGLTKV-UHFFFAOYSA-N 2 1 259.397 2.229 20 0 CEADMP C[NH+]1CCC([C@@H]2CCN(c3[nH+]cnc4[nH]ccc43)C2)CC1 ZINC000270059098 277033476 /nfs/dbraw/zinc/03/34/76/277033476.db2.gz FBPODQDQMHDHNZ-CYBMUJFWSA-N 2 1 285.395 2.126 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(C1)CCOCC2 ZINC000336062291 277043436 /nfs/dbraw/zinc/04/34/36/277043436.db2.gz HAPKUXWYNNZBSW-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC2(C1)CCOCC2 ZINC000336062291 277043437 /nfs/dbraw/zinc/04/34/37/277043437.db2.gz HAPKUXWYNNZBSW-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC2(C1)CCOCC2 ZINC000336062291 277043438 /nfs/dbraw/zinc/04/34/38/277043438.db2.gz HAPKUXWYNNZBSW-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC[C@@H]3CCCCO3)C2)C1 ZINC000336438916 277071813 /nfs/dbraw/zinc/07/18/13/277071813.db2.gz GHJYYDUWMXRCNJ-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC[C@@H]3CCCCO3)C2)C1 ZINC000336438916 277071815 /nfs/dbraw/zinc/07/18/15/277071815.db2.gz GHJYYDUWMXRCNJ-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC[C@@H]3CCCCO3)C2)C1 ZINC000336438916 277071816 /nfs/dbraw/zinc/07/18/16/277071816.db2.gz GHJYYDUWMXRCNJ-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP Cn1nccc1C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000163090445 277077390 /nfs/dbraw/zinc/07/73/90/277077390.db2.gz MTQYSRSJTXSBOB-HNNXBMFYSA-N 2 1 276.428 2.084 20 0 CEADMP COCC[C@H]1CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261646241 277240903 /nfs/dbraw/zinc/24/09/03/277240903.db2.gz ARFRAFCEPHBUCA-CQSZACIVSA-N 2 1 254.418 2.125 20 0 CEADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000343709583 277254013 /nfs/dbraw/zinc/25/40/13/277254013.db2.gz LFHYXRDHXJAVAW-CWRNSKLLSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)(C)[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000343709583 277254015 /nfs/dbraw/zinc/25/40/15/277254015.db2.gz LFHYXRDHXJAVAW-CWRNSKLLSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)(C)[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000343709583 277254016 /nfs/dbraw/zinc/25/40/16/277254016.db2.gz LFHYXRDHXJAVAW-CWRNSKLLSA-N 2 1 280.456 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000414833125 277282460 /nfs/dbraw/zinc/28/24/60/277282460.db2.gz GFMMOIDLVZBIPF-ZDUSSCGKSA-N 2 1 279.403 2.371 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000341915158 277286753 /nfs/dbraw/zinc/28/67/53/277286753.db2.gz XVHFLCMKFLKEBW-XLWJZTARSA-N 2 1 254.418 2.120 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339427444 277366251 /nfs/dbraw/zinc/36/62/51/277366251.db2.gz UXGQJLYCBXDIIP-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339427444 277366252 /nfs/dbraw/zinc/36/62/52/277366252.db2.gz UXGQJLYCBXDIIP-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339427444 277366253 /nfs/dbraw/zinc/36/62/53/277366253.db2.gz UXGQJLYCBXDIIP-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)C[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000336811090 277380698 /nfs/dbraw/zinc/38/06/98/277380698.db2.gz LADFYMPKHMRMLN-INIZCTEOSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000336811090 277380700 /nfs/dbraw/zinc/38/07/00/277380700.db2.gz LADFYMPKHMRMLN-INIZCTEOSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000336811090 277380701 /nfs/dbraw/zinc/38/07/01/277380701.db2.gz LADFYMPKHMRMLN-INIZCTEOSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000336811090 277380702 /nfs/dbraw/zinc/38/07/02/277380702.db2.gz LADFYMPKHMRMLN-INIZCTEOSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[NH+]1CCC(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000177836198 277386370 /nfs/dbraw/zinc/38/63/70/277386370.db2.gz PLMOQQYNAHRGDI-HLLBOEOZSA-N 2 1 281.488 2.425 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC000335256765 278028435 /nfs/dbraw/zinc/02/84/35/278028435.db2.gz LQTULBFYZJMBBW-ZIAGYGMSSA-N 2 1 274.408 2.441 20 0 CEADMP CC(C)n1ncnc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370008114 278153372 /nfs/dbraw/zinc/15/33/72/278153372.db2.gz NXXOWASTRNCAOC-UHFFFAOYSA-N 2 1 291.443 2.167 20 0 CEADMP CC(C)n1ncnc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370008114 278153373 /nfs/dbraw/zinc/15/33/73/278153373.db2.gz NXXOWASTRNCAOC-UHFFFAOYSA-N 2 1 291.443 2.167 20 0 CEADMP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000251201331 278236038 /nfs/dbraw/zinc/23/60/38/278236038.db2.gz VJEOSIXYAGSBFX-IHRRRGAJSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)CCC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000251201331 278236040 /nfs/dbraw/zinc/23/60/40/278236040.db2.gz VJEOSIXYAGSBFX-IHRRRGAJSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H](C[N@H+](C)C[C@H](O)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000415065136 278240622 /nfs/dbraw/zinc/24/06/22/278240622.db2.gz FLJNKWHQNBTLOB-GXFFZTMASA-N 2 1 290.329 2.060 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@H](O)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000415065136 278240623 /nfs/dbraw/zinc/24/06/23/278240623.db2.gz FLJNKWHQNBTLOB-GXFFZTMASA-N 2 1 290.329 2.060 20 0 CEADMP C[C@H](O)C[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000336790863 278297292 /nfs/dbraw/zinc/29/72/92/278297292.db2.gz YMWUZRAYUHEFOM-KKUMJFAQSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](O)C[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000336790863 278297295 /nfs/dbraw/zinc/29/72/95/278297295.db2.gz YMWUZRAYUHEFOM-KKUMJFAQSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](O)C[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000336790863 278297297 /nfs/dbraw/zinc/29/72/97/278297297.db2.gz YMWUZRAYUHEFOM-KKUMJFAQSA-N 2 1 254.418 2.096 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089140419 278540584 /nfs/dbraw/zinc/54/05/84/278540584.db2.gz YXYWNFXYUFZGSQ-CVEARBPZSA-N 3 1 267.461 2.216 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000373520462 288101676 /nfs/dbraw/zinc/10/16/76/288101676.db2.gz IDMPHDKALYGTII-CWHQUEMWSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000261667075 279158467 /nfs/dbraw/zinc/15/84/67/279158467.db2.gz FZKXERCRDNWSIS-INIZCTEOSA-N 2 1 276.380 2.019 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000261667075 279158468 /nfs/dbraw/zinc/15/84/68/279158468.db2.gz FZKXERCRDNWSIS-INIZCTEOSA-N 2 1 276.380 2.019 20 0 CEADMP C[C@@]1(CN2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000261695156 279159122 /nfs/dbraw/zinc/15/91/22/279159122.db2.gz BSJDWXRSRBHLQG-GOSISDBHSA-N 2 1 287.451 2.194 20 0 CEADMP CC(C)C[C@H]([NH3+])CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000414691877 279178395 /nfs/dbraw/zinc/17/83/95/279178395.db2.gz BWDQGGKCOYPLHM-LSDHHAIUSA-N 2 1 255.450 2.166 20 0 CEADMP CC(C)C[C@]1(CO)CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414761746 279239503 /nfs/dbraw/zinc/23/95/03/279239503.db2.gz UQJMERKPKINYMM-PMPSAXMXSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)C[C@]1(CO)CCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414761748 279239656 /nfs/dbraw/zinc/23/96/56/279239656.db2.gz UQJMERKPKINYMM-XHSDSOJGSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358087660 279248147 /nfs/dbraw/zinc/24/81/47/279248147.db2.gz XNXAXOQHUTXICH-FRRDWIJNSA-N 2 1 270.417 2.179 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358087660 279248148 /nfs/dbraw/zinc/24/81/48/279248148.db2.gz XNXAXOQHUTXICH-FRRDWIJNSA-N 2 1 270.417 2.179 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C(C)C ZINC000248198073 279283636 /nfs/dbraw/zinc/28/36/36/279283636.db2.gz XSTPFCMGRMQPTB-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C(C)C ZINC000248198073 279283640 /nfs/dbraw/zinc/28/36/40/279283640.db2.gz XSTPFCMGRMQPTB-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)N(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C(C)C ZINC000248198073 279283642 /nfs/dbraw/zinc/28/36/42/279283642.db2.gz XSTPFCMGRMQPTB-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)N(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C(C)C ZINC000248198073 279283645 /nfs/dbraw/zinc/28/36/45/279283645.db2.gz XSTPFCMGRMQPTB-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000364616736 279351035 /nfs/dbraw/zinc/35/10/35/279351035.db2.gz UAKMHSMATGTSJV-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000356784890 279360706 /nfs/dbraw/zinc/36/07/06/279360706.db2.gz VHXISGGYCJHFAN-CABCVRRESA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000356784890 279360710 /nfs/dbraw/zinc/36/07/10/279360710.db2.gz VHXISGGYCJHFAN-CABCVRRESA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000356784890 279360711 /nfs/dbraw/zinc/36/07/11/279360711.db2.gz VHXISGGYCJHFAN-CABCVRRESA-N 2 1 283.460 2.096 20 0 CEADMP [NH3+]C[C@H]([NH2+]C1CCC(C[NH3+])CC1)C1CCCCC1 ZINC000414832067 279647371 /nfs/dbraw/zinc/64/73/71/279647371.db2.gz DEHXOHJBEIRFSF-ZALBZXLWSA-N 3 1 253.434 2.001 20 0 CEADMP C[C@@H](NCC[C@@H]1CCC[N@H+]1C)c1cn(-c2ccccc2)nn1 ZINC000185457204 280124559 /nfs/dbraw/zinc/12/45/59/280124559.db2.gz GDBXCYCDSNWNME-CABCVRRESA-N 2 1 299.422 2.402 20 0 CEADMP CC[N@H+](CCCCn1cc[nH+]c1C)C[C@H](O)C(F)(F)F ZINC000189439413 280149822 /nfs/dbraw/zinc/14/98/22/280149822.db2.gz YNLVANXFCSKNJD-LBPRGKRZSA-N 2 1 293.333 2.217 20 0 CEADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C[C@H](O)C(F)(F)F ZINC000189439413 280149825 /nfs/dbraw/zinc/14/98/25/280149825.db2.gz YNLVANXFCSKNJD-LBPRGKRZSA-N 2 1 293.333 2.217 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000236824024 280222310 /nfs/dbraw/zinc/22/23/10/280222310.db2.gz BATZADJJQMBZLJ-CQSZACIVSA-N 2 1 294.443 2.228 20 0 CEADMP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000335022374 280269996 /nfs/dbraw/zinc/26/99/96/280269996.db2.gz LBGQEFXJQFMMLJ-KGLIPLIRSA-N 2 1 257.381 2.456 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN(C)CC(F)(F)F)[C@@H](C)C1 ZINC000246974431 280315998 /nfs/dbraw/zinc/31/59/98/280315998.db2.gz JHMHKFGPJRKUKO-QWHCGFSZSA-N 2 1 295.393 2.191 20 0 CEADMP CC[C@H](C)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248567642 280352973 /nfs/dbraw/zinc/35/29/73/280352973.db2.gz LEZMLJROFJDGMH-ZNMIVQPWSA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@H](C)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248567642 280352974 /nfs/dbraw/zinc/35/29/74/280352974.db2.gz LEZMLJROFJDGMH-ZNMIVQPWSA-N 2 1 295.471 2.144 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c(cccc3OC)C2)C1 ZINC000249068677 280382339 /nfs/dbraw/zinc/38/23/39/280382339.db2.gz QBPPANMLZUWPCH-ZBFHGGJFSA-N 2 1 288.435 2.484 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c(cccc3OC)C2)C1 ZINC000249068675 280382412 /nfs/dbraw/zinc/38/24/12/280382412.db2.gz QBPPANMLZUWPCH-HOCLYGCPSA-N 2 1 288.435 2.484 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1CCCO1 ZINC000249374948 280394474 /nfs/dbraw/zinc/39/44/74/280394474.db2.gz PPXRUDLILRABGI-QLFBSQMISA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422832355 280931167 /nfs/dbraw/zinc/93/11/67/280931167.db2.gz FVPAOZGIQHBBRM-MZBWOGCUSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1c[nH+]ccc1N ZINC000422869911 280940630 /nfs/dbraw/zinc/94/06/30/280940630.db2.gz BAOPLBIXSPSZNI-GXFFZTMASA-N 2 1 251.399 2.430 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000422929109 280970332 /nfs/dbraw/zinc/97/03/32/280970332.db2.gz OHKAPPLGFAJVFK-SBMIAAHKSA-N 2 1 254.761 2.489 20 0 CEADMP C(=C\c1ccccc1)\C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000422982667 280981918 /nfs/dbraw/zinc/98/19/18/280981918.db2.gz XLWPWFXRDHPQMW-AWRCXPFVSA-N 2 1 286.419 2.447 20 0 CEADMP CCc1ccc([C@H](COC)[NH2+][C@@H](C)C[C@@H](C)[NH3+])o1 ZINC000422990066 280985369 /nfs/dbraw/zinc/98/53/69/280985369.db2.gz BKTZSPUOGJMMDX-MDZLAQPJSA-N 2 1 254.374 2.245 20 0 CEADMP C[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)[C@@H]1CCC[NH2+]1 ZINC000423009781 280991314 /nfs/dbraw/zinc/99/13/14/280991314.db2.gz DWNRKGNHRIOVJA-DYVFJYSZSA-N 2 1 284.407 2.317 20 0 CEADMP C[C@@H]1[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)CCC[N@H+]1C ZINC000423029283 281000502 /nfs/dbraw/zinc/00/05/02/281000502.db2.gz HZJXKBXJGBUXNE-MSQAHXEGSA-N 2 1 259.397 2.204 20 0 CEADMP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)[C@H]1CCCCS1 ZINC000423037984 281004924 /nfs/dbraw/zinc/00/49/24/281004924.db2.gz XHEGFCRLRKHBSS-TUVASFSCSA-N 2 1 284.469 2.019 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000423439584 281043130 /nfs/dbraw/zinc/04/31/30/281043130.db2.gz AFFKTQJYVKQMFW-JSGCOSHPSA-N 2 1 296.411 2.108 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423465663 281049142 /nfs/dbraw/zinc/04/91/42/281049142.db2.gz MXIMDPIMKCFMSG-JKSUJKDBSA-N 2 1 287.411 2.045 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000423468534 281050254 /nfs/dbraw/zinc/05/02/54/281050254.db2.gz OLSZJSNNHOAWLA-JQWIXIFHSA-N 2 1 252.358 2.092 20 0 CEADMP CCc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C(C)C)cc1 ZINC000423514693 281059229 /nfs/dbraw/zinc/05/92/29/281059229.db2.gz MJISKQKULWWQIF-MSOLQXFVSA-N 2 1 289.467 2.439 20 0 CEADMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@H]1C[C@@H]1C ZINC000423514917 281059962 /nfs/dbraw/zinc/05/99/62/281059962.db2.gz UNUDIZSFKLQHOC-VMAZRHSESA-N 2 1 279.472 2.227 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000423767559 281086507 /nfs/dbraw/zinc/08/65/07/281086507.db2.gz WFAAVIOFAAVFBO-QGZVFWFLSA-N 2 1 295.471 2.242 20 0 CEADMP COC(=O)CC1CC([NH2+]CC2([NH+](C)C)CCCCC2)C1 ZINC000424262896 281140119 /nfs/dbraw/zinc/14/01/19/281140119.db2.gz RFFJOSRQBKIOFM-UHFFFAOYSA-N 2 1 282.428 2.182 20 0 CEADMP C[N@@H+](CCCNC(=O)C1CCC1)CCC[NH+]1CCCCC1 ZINC000429547691 281242743 /nfs/dbraw/zinc/24/27/43/281242743.db2.gz MWZFRMCESRCUIJ-UHFFFAOYSA-N 2 1 295.471 2.101 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(F)cc1 ZINC000430625582 281270874 /nfs/dbraw/zinc/27/08/74/281270874.db2.gz QMRBNRGJLJUJNF-DOMZBBRYSA-N 2 1 293.386 2.356 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(F)cc1 ZINC000430625582 281270877 /nfs/dbraw/zinc/27/08/77/281270877.db2.gz QMRBNRGJLJUJNF-DOMZBBRYSA-N 2 1 293.386 2.356 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431787436 281320291 /nfs/dbraw/zinc/32/02/91/281320291.db2.gz HRCXTLFFBUSHFE-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CC[C@H](C)[NH+](C)CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431787436 281320293 /nfs/dbraw/zinc/32/02/93/281320293.db2.gz HRCXTLFFBUSHFE-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CC[C@H](C)[NH+](C)CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431787436 281320294 /nfs/dbraw/zinc/32/02/94/281320294.db2.gz HRCXTLFFBUSHFE-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000432356860 281324846 /nfs/dbraw/zinc/32/48/46/281324846.db2.gz KIWOUENPKDRLCT-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000432356860 281324844 /nfs/dbraw/zinc/32/48/44/281324844.db2.gz KIWOUENPKDRLCT-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C[NH3+])C2)o1 ZINC000435385015 281387009 /nfs/dbraw/zinc/38/70/09/281387009.db2.gz PLOLIYSRXWFTJT-GFCCVEGCSA-N 2 1 274.368 2.149 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C[NH3+])C2)o1 ZINC000435385015 281387011 /nfs/dbraw/zinc/38/70/11/281387011.db2.gz PLOLIYSRXWFTJT-GFCCVEGCSA-N 2 1 274.368 2.149 20 0 CEADMP C[N@H+](Cc1cnn(CC(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435446524 281390093 /nfs/dbraw/zinc/39/00/93/281390093.db2.gz KKOMFQRLJLRBJI-LBPRGKRZSA-N 2 1 290.333 2.019 20 0 CEADMP C[N@@H+](Cc1cnn(CC(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435446524 281390097 /nfs/dbraw/zinc/39/00/97/281390097.db2.gz KKOMFQRLJLRBJI-LBPRGKRZSA-N 2 1 290.333 2.019 20 0 CEADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000152444062 289089105 /nfs/dbraw/zinc/08/91/05/289089105.db2.gz XFHXNNNZTRYHQZ-RRFJBIMHSA-N 2 1 256.434 2.105 20 0 CEADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)C2CC2)CC1 ZINC000153786827 289122880 /nfs/dbraw/zinc/12/28/80/289122880.db2.gz SRECYDXDHTVAMD-UHFFFAOYSA-N 2 1 273.424 2.423 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOCC2CCOCC2)[C@H](C)C1 ZINC000157460002 289214459 /nfs/dbraw/zinc/21/44/59/289214459.db2.gz ZWMIYRACXUWJDM-NVXWUHKLSA-N 2 1 298.471 2.140 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000400519005 289287225 /nfs/dbraw/zinc/28/72/25/289287225.db2.gz GWKGPXCXZSKTQU-AGIUHOORSA-N 2 1 278.396 2.352 20 0 CEADMP CC(C)CO[C@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)C1(C)C ZINC000401845839 289289065 /nfs/dbraw/zinc/28/90/65/289289065.db2.gz QLLKMGMQQKNAGP-GJZGRUSLSA-N 2 1 279.428 2.392 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC[C@H]1CCCCO1 ZINC000347481831 289323390 /nfs/dbraw/zinc/32/33/90/289323390.db2.gz KSCJYRYSHLLIPQ-VQHPVUNQSA-N 2 1 296.455 2.129 20 0 CEADMP CC[C@H](C)N(CCc1c[nH+]cn1C)CC(=O)OC(C)(C)C ZINC000459359999 290126643 /nfs/dbraw/zinc/12/66/43/290126643.db2.gz CYOIHACLVZEWRY-ZDUSSCGKSA-N 2 1 295.427 2.405 20 0 CEADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CCn1cc(Cl)cn1 ZINC000459364046 290126975 /nfs/dbraw/zinc/12/69/75/290126975.db2.gz VLEBJRCABGBEHJ-AWEZNQCLSA-N 2 1 284.835 2.343 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CCn1cc(Cl)cn1 ZINC000459364046 290126978 /nfs/dbraw/zinc/12/69/78/290126978.db2.gz VLEBJRCABGBEHJ-AWEZNQCLSA-N 2 1 284.835 2.343 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CCn1cc(Cl)cn1 ZINC000459364046 290126981 /nfs/dbraw/zinc/12/69/81/290126981.db2.gz VLEBJRCABGBEHJ-AWEZNQCLSA-N 2 1 284.835 2.343 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CCn1cc(Cl)cn1 ZINC000459364046 290126985 /nfs/dbraw/zinc/12/69/85/290126985.db2.gz VLEBJRCABGBEHJ-AWEZNQCLSA-N 2 1 284.835 2.343 20 0 CEADMP CC[N@H+]1CCC[C@@H](CNCc2cnc(C3CC3)nc2)C1 ZINC000459382964 290132241 /nfs/dbraw/zinc/13/22/41/290132241.db2.gz ARKHZSOCUWETIX-ZDUSSCGKSA-N 2 1 274.412 2.176 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459382964 290132245 /nfs/dbraw/zinc/13/22/45/290132245.db2.gz ARKHZSOCUWETIX-ZDUSSCGKSA-N 2 1 274.412 2.176 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459382964 290132247 /nfs/dbraw/zinc/13/22/47/290132247.db2.gz ARKHZSOCUWETIX-ZDUSSCGKSA-N 2 1 274.412 2.176 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459415275 290141243 /nfs/dbraw/zinc/14/12/43/290141243.db2.gz BLIYQBWHAVLOLS-GJZGRUSLSA-N 2 1 274.412 2.316 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459563493 290180166 /nfs/dbraw/zinc/18/01/66/290180166.db2.gz PMVYQTZUWIRHKM-INIZCTEOSA-N 2 1 293.411 2.245 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459563493 290180169 /nfs/dbraw/zinc/18/01/69/290180169.db2.gz PMVYQTZUWIRHKM-INIZCTEOSA-N 2 1 293.411 2.245 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)[C@@H](C)C1 ZINC000459629246 290199934 /nfs/dbraw/zinc/19/99/34/290199934.db2.gz GWMSHQOQWJNRGQ-BYNSBNAKSA-N 2 1 254.418 2.262 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2Cc3cccc(OC)c3C2)[C@@H](C)C1 ZINC000459700133 290213466 /nfs/dbraw/zinc/21/34/66/290213466.db2.gz MMSXKLBRQWPVTA-QRTARXTBSA-N 2 1 288.435 2.482 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)[C@H]2CCC[C@@H]21 ZINC000367595537 290215011 /nfs/dbraw/zinc/21/50/11/290215011.db2.gz BIPVGQQYPYJCML-SQNIBIBYSA-N 2 1 291.483 2.323 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C12CCC2 ZINC000459724359 290218070 /nfs/dbraw/zinc/21/80/70/290218070.db2.gz APRFFQXLOKTYLP-LSDHHAIUSA-N 2 1 275.396 2.195 20 0 CEADMP Cc1ncsc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459733524 290220507 /nfs/dbraw/zinc/22/05/07/290220507.db2.gz NRKOBHPUJVRJQU-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCO2)[C@@H]2CCC[C@H]21 ZINC000353514256 290221134 /nfs/dbraw/zinc/22/11/34/290221134.db2.gz BZTXCUJGQVHQFB-XQLPTFJDSA-N 2 1 252.402 2.018 20 0 CEADMP COCc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000459739603 290223042 /nfs/dbraw/zinc/22/30/42/290223042.db2.gz SXJXLCKOFCOSPH-ZDUSSCGKSA-N 2 1 266.385 2.248 20 0 CEADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC000459776010 290235874 /nfs/dbraw/zinc/23/58/74/290235874.db2.gz JUXVZGVJWDRKTI-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP COC1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459780984 290237695 /nfs/dbraw/zinc/23/76/95/290237695.db2.gz MHAUGJMMQLLGAX-WLYUNCDWSA-N 2 1 254.418 2.266 20 0 CEADMP COC1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459780983 290237744 /nfs/dbraw/zinc/23/77/44/290237744.db2.gz MHAUGJMMQLLGAX-NFOMZHRRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC(O)(CC)CC)[C@@H](C)C1 ZINC000471761647 290282023 /nfs/dbraw/zinc/28/20/23/290282023.db2.gz UVFHOUXWTRECPH-KBPBESRZSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1CCSC1 ZINC000486966278 290324584 /nfs/dbraw/zinc/32/45/84/290324584.db2.gz FUJGSHDPNXDYFN-HZSPNIEDSA-N 2 1 256.459 2.450 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@H]1CCSC1 ZINC000486966278 290324587 /nfs/dbraw/zinc/32/45/87/290324587.db2.gz FUJGSHDPNXDYFN-HZSPNIEDSA-N 2 1 256.459 2.450 20 0 CEADMP COC[C@@]1(C)CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000487047892 290329530 /nfs/dbraw/zinc/32/95/30/290329530.db2.gz RRHZTFQVYBCNDX-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP COC[C@@]1(C)CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000487047892 290329532 /nfs/dbraw/zinc/32/95/32/290329532.db2.gz RRHZTFQVYBCNDX-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488412557 290396472 /nfs/dbraw/zinc/39/64/72/290396472.db2.gz OOKUBQUJZWNPCV-CABCVRRESA-N 2 1 286.485 2.217 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC3(CCOCC3)C2)CC[NH2+]1 ZINC000334882564 297251482 /nfs/dbraw/zinc/25/14/82/297251482.db2.gz PIKHKJIWYVKZQA-CABCVRRESA-N 2 1 266.429 2.267 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000530212453 298051287 /nfs/dbraw/zinc/05/12/87/298051287.db2.gz SEBJCBMXTOGAQS-DOTOQJQBSA-N 2 1 294.414 2.315 20 0 CEADMP Cc1cnccc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000530223449 298056753 /nfs/dbraw/zinc/05/67/53/298056753.db2.gz JTIIQJAXPPKDAW-CQSZACIVSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cnccc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000530223446 298057018 /nfs/dbraw/zinc/05/70/18/298057018.db2.gz JTIIQJAXPPKDAW-AWEZNQCLSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1c[nH+]cn1CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000530261019 298060495 /nfs/dbraw/zinc/06/04/95/298060495.db2.gz GKYMLWFVOGRPKJ-UHFFFAOYSA-N 2 1 298.390 2.426 20 0 CEADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccnc1 ZINC000530407217 298069042 /nfs/dbraw/zinc/06/90/42/298069042.db2.gz CGJKZCDUOJADKX-OAHLLOKOSA-N 2 1 258.369 2.345 20 0 CEADMP CCc1cccnc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530407301 298069049 /nfs/dbraw/zinc/06/90/49/298069049.db2.gz OCIIUXYAVFTPKS-GFCCVEGCSA-N 2 1 258.369 2.271 20 0 CEADMP COc1ccccc1OCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000532460397 298145181 /nfs/dbraw/zinc/14/51/81/298145181.db2.gz PPKQBJMOBSMQFK-SOUVJXGZSA-N 2 1 292.423 2.392 20 0 CEADMP Clc1cc(C[NH2+]CCC[NH+]2CCC2)cc2c1OCCO2 ZINC000534311313 298172492 /nfs/dbraw/zinc/17/24/92/298172492.db2.gz IIHOWWLTMGHVTN-UHFFFAOYSA-N 2 1 296.798 2.297 20 0 CEADMP c1nc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2[nH]1 ZINC000537616349 298215241 /nfs/dbraw/zinc/21/52/41/298215241.db2.gz OKEJNVWCGCWORC-HNNXBMFYSA-N 2 1 284.407 2.481 20 0 CEADMP c1nc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)ccc2[nH]1 ZINC000537616349 298215244 /nfs/dbraw/zinc/21/52/44/298215244.db2.gz OKEJNVWCGCWORC-HNNXBMFYSA-N 2 1 284.407 2.481 20 0 CEADMP c1nc2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2[nH]1 ZINC000537616349 298215247 /nfs/dbraw/zinc/21/52/47/298215247.db2.gz OKEJNVWCGCWORC-HNNXBMFYSA-N 2 1 284.407 2.481 20 0 CEADMP c1nc2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2[nH]1 ZINC000537616349 298215250 /nfs/dbraw/zinc/21/52/50/298215250.db2.gz OKEJNVWCGCWORC-HNNXBMFYSA-N 2 1 284.407 2.481 20 0 CEADMP C[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000539062587 298244551 /nfs/dbraw/zinc/24/45/51/298244551.db2.gz ZKBFLBABBHRUSI-UXLLHSPISA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414204092 298316094 /nfs/dbraw/zinc/31/60/94/298316094.db2.gz ZYJBOVCBJORVPQ-KGLIPLIRSA-N 2 1 284.444 2.428 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000251108440 298784044 /nfs/dbraw/zinc/78/40/44/298784044.db2.gz ONRCEQOJVZUKGM-YYIAUSFCSA-N 3 1 279.472 2.229 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1c[nH+]ccc1N ZINC000564826234 298851480 /nfs/dbraw/zinc/85/14/80/298851480.db2.gz GWXJXFWRHKWSKY-IUIKQTSFSA-N 2 1 275.396 2.350 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)C1CC1 ZINC000566556881 299001947 /nfs/dbraw/zinc/00/19/47/299001947.db2.gz UEBGWILBLHMVEW-FRFSOERESA-N 2 1 292.398 2.116 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)C1CC1 ZINC000566556881 299001951 /nfs/dbraw/zinc/00/19/51/299001951.db2.gz UEBGWILBLHMVEW-FRFSOERESA-N 2 1 292.398 2.116 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000566555930 299002063 /nfs/dbraw/zinc/00/20/63/299002063.db2.gz AVDNFAYWLTXFDP-ROUUACIJSA-N 2 1 290.451 2.300 20 0 CEADMP O[C@@H](C[NH2+]Cc1ccc(C2CC2)cc1)C[NH+]1CCCC1 ZINC000459433142 313019928 /nfs/dbraw/zinc/01/99/28/313019928.db2.gz BOZIZNGHFCMMFZ-KRWDZBQOSA-N 2 1 274.408 2.110 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccn2)c2ccccc21 ZINC000516450522 313089414 /nfs/dbraw/zinc/08/94/14/313089414.db2.gz YJRKHZHMZNWORL-LSDHHAIUSA-N 2 1 296.374 2.145 20 0 CEADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000517172483 313104810 /nfs/dbraw/zinc/10/48/10/313104810.db2.gz WZMRSBMDIKZNFF-UHFFFAOYSA-N 2 1 283.460 2.096 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC1(c2ccccc2)CCC1)C1CC1 ZINC000519816897 313119593 /nfs/dbraw/zinc/11/95/93/313119593.db2.gz HDXLGYWPNBUSHA-QGZVFWFLSA-N 2 1 288.435 2.153 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(c2ccccc2)CCC1)C1CC1 ZINC000519816897 313119594 /nfs/dbraw/zinc/11/95/94/313119594.db2.gz HDXLGYWPNBUSHA-QGZVFWFLSA-N 2 1 288.435 2.153 20 0 CEADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527804192 313204778 /nfs/dbraw/zinc/20/47/78/313204778.db2.gz NNTPVSFHAMBHTK-BBZRCZKMSA-N 2 1 252.402 2.015 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCOC2)[C@@H](C)C1 ZINC000527929636 313216291 /nfs/dbraw/zinc/21/62/91/313216291.db2.gz QMBFWRSAYBEKLN-KKUMJFAQSA-N 2 1 254.418 2.123 20 0 CEADMP COCCC1CC[NH+]([C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000527935708 313216971 /nfs/dbraw/zinc/21/69/71/313216971.db2.gz PBKQTOVMFNDZEW-HZPDHXFCSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]([NH2+]CC1COC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528024867 313227832 /nfs/dbraw/zinc/22/78/32/313227832.db2.gz KYZWOKDUGGVKFE-WMLDXEAASA-N 2 1 274.408 2.133 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+]CCC[NH+]1CCC1)CC2 ZINC000565212887 313808404 /nfs/dbraw/zinc/80/84/04/313808404.db2.gz BESAOSZRPWSHHW-MRXNPFEDSA-N 2 1 274.408 2.238 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000575746493 314219010 /nfs/dbraw/zinc/21/90/10/314219010.db2.gz ZURUKFQMJVVBDZ-KGLIPLIRSA-N 2 1 298.475 2.066 20 0 CEADMP CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000576118384 314243776 /nfs/dbraw/zinc/24/37/76/314243776.db2.gz ILKWJKHUQOWHDK-RBSFLKMASA-N 2 1 256.434 2.248 20 0 CEADMP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)Sc1ccccc1 ZINC000576576381 314289681 /nfs/dbraw/zinc/28/96/81/314289681.db2.gz ALHYPLFYOIXULS-ZFWWWQNUSA-N 2 1 294.464 2.212 20 0 CEADMP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)Sc1ccccc1 ZINC000576576381 314289683 /nfs/dbraw/zinc/28/96/83/314289683.db2.gz ALHYPLFYOIXULS-ZFWWWQNUSA-N 2 1 294.464 2.212 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000576954561 314327275 /nfs/dbraw/zinc/32/72/75/314327275.db2.gz RYMVNFAGQKUSTI-GOEBONIOSA-N 2 1 296.842 2.442 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000576954561 314327276 /nfs/dbraw/zinc/32/72/76/314327276.db2.gz RYMVNFAGQKUSTI-GOEBONIOSA-N 2 1 296.842 2.442 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000576954561 314327277 /nfs/dbraw/zinc/32/72/77/314327277.db2.gz RYMVNFAGQKUSTI-GOEBONIOSA-N 2 1 296.842 2.442 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000577507615 314385376 /nfs/dbraw/zinc/38/53/76/314385376.db2.gz LUDHEQZLKLYRCG-CYBMUJFWSA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000577507615 314385378 /nfs/dbraw/zinc/38/53/78/314385378.db2.gz LUDHEQZLKLYRCG-CYBMUJFWSA-N 2 1 263.385 2.225 20 0 CEADMP CO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000578357824 314472715 /nfs/dbraw/zinc/47/27/15/314472715.db2.gz KKDDRLVEIIZUJN-MWQQHZPXSA-N 2 1 296.455 2.033 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(O)ccc1Br ZINC000579008929 314540219 /nfs/dbraw/zinc/54/02/19/314540219.db2.gz HAEHIJRCRMXIGK-IUCAKERBSA-N 2 1 287.201 2.370 20 0 CEADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000191977242 321792064 /nfs/dbraw/zinc/79/20/64/321792064.db2.gz JRCUGCWBSZGYHZ-UHFFFAOYSA-N 2 1 268.364 2.107 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)CC[N@@H+]1C ZINC000580581263 322328652 /nfs/dbraw/zinc/32/86/52/322328652.db2.gz IDVKJNLZMFITKP-DFBGVHRSSA-N 2 1 278.371 2.202 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)CC[N@H+]1C ZINC000580581263 322328653 /nfs/dbraw/zinc/32/86/53/322328653.db2.gz IDVKJNLZMFITKP-DFBGVHRSSA-N 2 1 278.371 2.202 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000584285558 327218021 /nfs/dbraw/zinc/21/80/21/327218021.db2.gz HQVZPBITKRZSHJ-LBPRGKRZSA-N 2 1 252.406 2.423 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000157763951 519751017 /nfs/dbraw/zinc/75/10/17/519751017.db2.gz TWAORBYZRQWSNU-SWLSCSKDSA-N 2 1 275.396 2.217 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000157763951 519751019 /nfs/dbraw/zinc/75/10/19/519751019.db2.gz TWAORBYZRQWSNU-SWLSCSKDSA-N 2 1 275.396 2.217 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000156698397 519817755 /nfs/dbraw/zinc/81/77/55/519817755.db2.gz VVXKDSWSJFQFMW-CQSZACIVSA-N 2 1 278.396 2.263 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000366349329 520919215 /nfs/dbraw/zinc/91/92/15/520919215.db2.gz VKRSTLXBNJCYRI-WMLDXEAASA-N 2 1 295.471 2.417 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCn3cccn3)C2)CC1 ZINC000154704387 521022057 /nfs/dbraw/zinc/02/20/57/521022057.db2.gz XEDMQAQABQOVIZ-KRWDZBQOSA-N 2 1 290.455 2.327 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCn3cccn3)C2)CC1 ZINC000154704387 521022060 /nfs/dbraw/zinc/02/20/60/521022060.db2.gz XEDMQAQABQOVIZ-KRWDZBQOSA-N 2 1 290.455 2.327 20 0 CEADMP c1ncc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000411318863 534539662 /nfs/dbraw/zinc/53/96/62/534539662.db2.gz ZPTUYOFYHIHSGW-AWEZNQCLSA-N 2 1 279.453 2.493 20 0 CEADMP c1ncc(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000411318863 534539670 /nfs/dbraw/zinc/53/96/70/534539670.db2.gz ZPTUYOFYHIHSGW-AWEZNQCLSA-N 2 1 279.453 2.493 20 0 CEADMP COC(=O)[C@H]1CCCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000364700595 523945341 /nfs/dbraw/zinc/94/53/41/523945341.db2.gz VCCIAVFTACYNHV-OAHLLOKOSA-N 2 1 293.411 2.389 20 0 CEADMP COC(=O)[C@H]1CCCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000364700595 523945348 /nfs/dbraw/zinc/94/53/48/523945348.db2.gz VCCIAVFTACYNHV-OAHLLOKOSA-N 2 1 293.411 2.389 20 0 CEADMP C[NH+](C)C/C=C/C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000364822493 524035002 /nfs/dbraw/zinc/03/50/02/524035002.db2.gz XPBPQUZCPRKYFX-XKOZXHHJSA-N 2 1 293.455 2.018 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000049553713 524473666 /nfs/dbraw/zinc/47/36/66/524473666.db2.gz VXUJAQJYUFXFQS-LBPRGKRZSA-N 2 1 273.380 2.370 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)CC[NH2+]C1 ZINC000261933859 525244783 /nfs/dbraw/zinc/24/47/83/525244783.db2.gz CZNLHXZFDWXTTO-RDJZCZTQSA-N 2 1 284.407 2.283 20 0 CEADMP c1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000157894110 526420828 /nfs/dbraw/zinc/42/08/28/526420828.db2.gz DLDBZNJZRHRBTH-DLBZAZTESA-N 2 1 286.419 2.380 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000363472614 527400706 /nfs/dbraw/zinc/40/07/06/527400706.db2.gz SAAXHPIXYDXPSE-HZPDHXFCSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000363472614 527400712 /nfs/dbraw/zinc/40/07/12/527400712.db2.gz SAAXHPIXYDXPSE-HZPDHXFCSA-N 2 1 277.412 2.330 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cncs2)[C@@H](C)C1 ZINC000411397105 527833099 /nfs/dbraw/zinc/83/30/99/527833099.db2.gz YBYDUDCQKJKEGU-JSGCOSHPSA-N 2 1 267.442 2.348 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cncs2)[C@@H](C)C1 ZINC000411397105 527833103 /nfs/dbraw/zinc/83/31/03/527833103.db2.gz YBYDUDCQKJKEGU-JSGCOSHPSA-N 2 1 267.442 2.348 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cncs2)[C@@H](C)C1 ZINC000411397105 527833105 /nfs/dbraw/zinc/83/31/05/527833105.db2.gz YBYDUDCQKJKEGU-JSGCOSHPSA-N 2 1 267.442 2.348 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000357120179 528816620 /nfs/dbraw/zinc/81/66/20/528816620.db2.gz UWXSXMRSVIQMAY-KKUMJFAQSA-N 2 1 283.460 2.094 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000357486566 528996568 /nfs/dbraw/zinc/99/65/68/528996568.db2.gz MWRUICWRAFMLNQ-HUUCEWRRSA-N 2 1 297.487 2.390 20 0 CEADMP CC[C@@H](C)[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000412391880 529351844 /nfs/dbraw/zinc/35/18/44/529351844.db2.gz MKCOIEBMVBSGFP-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000963344314 613943121 /nfs/dbraw/zinc/94/31/21/613943121.db2.gz MMVWJOUBXPECBZ-PRLABOORSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)CC[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000981953882 614030127 /nfs/dbraw/zinc/03/01/27/614030127.db2.gz VBRLUCXEHXNKEP-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000981953882 614030129 /nfs/dbraw/zinc/03/01/29/614030129.db2.gz VBRLUCXEHXNKEP-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000981953882 614030131 /nfs/dbraw/zinc/03/01/31/614030131.db2.gz VBRLUCXEHXNKEP-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC000971526550 614075031 /nfs/dbraw/zinc/07/50/31/614075031.db2.gz YCKSASTWBUFHIL-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971526550 614075033 /nfs/dbraw/zinc/07/50/33/614075033.db2.gz YCKSASTWBUFHIL-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971526550 614075035 /nfs/dbraw/zinc/07/50/35/614075035.db2.gz YCKSASTWBUFHIL-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000950708042 614592943 /nfs/dbraw/zinc/59/29/43/614592943.db2.gz JDMGGBWEVQKUJA-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000950708042 614592945 /nfs/dbraw/zinc/59/29/45/614592945.db2.gz JDMGGBWEVQKUJA-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000968782088 614978813 /nfs/dbraw/zinc/97/88/13/614978813.db2.gz SJWWYTUAZJLQQZ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000968782088 614978817 /nfs/dbraw/zinc/97/88/17/614978817.db2.gz SJWWYTUAZJLQQZ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000981143153 614985255 /nfs/dbraw/zinc/98/52/55/614985255.db2.gz DBGXFMDYYXUAQJ-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981143153 614985256 /nfs/dbraw/zinc/98/52/56/614985256.db2.gz DBGXFMDYYXUAQJ-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981143153 614985257 /nfs/dbraw/zinc/98/52/57/614985257.db2.gz DBGXFMDYYXUAQJ-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)C(C)C ZINC000961032882 615110773 /nfs/dbraw/zinc/11/07/73/615110773.db2.gz UVZCWEWXRUCEJD-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)C(C)C ZINC000961032882 615110775 /nfs/dbraw/zinc/11/07/75/615110775.db2.gz UVZCWEWXRUCEJD-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)C(C)C ZINC000961032882 615110776 /nfs/dbraw/zinc/11/07/76/615110776.db2.gz UVZCWEWXRUCEJD-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947882724 615278118 /nfs/dbraw/zinc/27/81/18/615278118.db2.gz VZAMUDJNPMLBLE-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP CCCNc1cc(NCC2([NH+](C)C)CCC2)nc[nH+]1 ZINC000097936532 622724246 /nfs/dbraw/zinc/72/42/46/622724246.db2.gz XDHIUAUTSBTRRJ-UHFFFAOYSA-N 2 1 263.389 2.195 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846222477 623361857 /nfs/dbraw/zinc/36/18/57/623361857.db2.gz DFECJABNGGWVDZ-INIZCTEOSA-N 2 1 284.444 2.417 20 0 CEADMP Cc1[nH+]ccc(N2CCC[N@@H+](C)CC2)c1Br ZINC000891438311 623652988 /nfs/dbraw/zinc/65/29/88/623652988.db2.gz IXMBHNFDIBPQMA-UHFFFAOYSA-N 2 1 284.201 2.294 20 0 CEADMP Cc1[nH+]ccc(N2CCC[N@H+](C)CC2)c1Br ZINC000891438311 623652996 /nfs/dbraw/zinc/65/29/96/623652996.db2.gz IXMBHNFDIBPQMA-UHFFFAOYSA-N 2 1 284.201 2.294 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)c2cc3c[nH]ccc-3n2)CC[N@H+]1C ZINC000933438637 623743329 /nfs/dbraw/zinc/74/33/29/623743329.db2.gz BGNOXOILCQPTGI-DGCLKSJQSA-N 2 1 286.379 2.118 20 0 CEADMP Cn1nc(CC[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](C)C3)c2ccccc21 ZINC000926205094 623858809 /nfs/dbraw/zinc/85/88/09/623858809.db2.gz CYQKXTAXNKPMGU-UUVAVEHKSA-N 2 1 298.434 2.046 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000933624270 623929486 /nfs/dbraw/zinc/92/94/86/623929486.db2.gz WAJVVBUFAKOHNP-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000933624270 623929489 /nfs/dbraw/zinc/92/94/89/623929489.db2.gz WAJVVBUFAKOHNP-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000933624270 623929492 /nfs/dbraw/zinc/92/94/92/623929492.db2.gz WAJVVBUFAKOHNP-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc[nH+]cc1CO ZINC000891845851 624017395 /nfs/dbraw/zinc/01/73/95/624017395.db2.gz UGIVWVNYPWPKOK-UHFFFAOYSA-N 2 1 299.418 2.448 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn4ccnc4s3)CC[C@H]21 ZINC000892231149 624440197 /nfs/dbraw/zinc/44/01/97/624440197.db2.gz VVUCDGALWFOTDI-TZMCWYRMSA-N 2 1 290.436 2.312 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn4ccnc4s3)CC[C@H]21 ZINC000892231149 624440200 /nfs/dbraw/zinc/44/02/00/624440200.db2.gz VVUCDGALWFOTDI-TZMCWYRMSA-N 2 1 290.436 2.312 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn4ccnc4s3)CC[C@H]21 ZINC000892231149 624440201 /nfs/dbraw/zinc/44/02/01/624440201.db2.gz VVUCDGALWFOTDI-TZMCWYRMSA-N 2 1 290.436 2.312 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn4ccnc4s3)CC[C@H]21 ZINC000892231149 624440204 /nfs/dbraw/zinc/44/02/04/624440204.db2.gz VVUCDGALWFOTDI-TZMCWYRMSA-N 2 1 290.436 2.312 20 0 CEADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023633294 625086248 /nfs/dbraw/zinc/08/62/48/625086248.db2.gz WFQYCZYGRHWGBY-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023633294 625086251 /nfs/dbraw/zinc/08/62/51/625086251.db2.gz WFQYCZYGRHWGBY-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023633294 625086256 /nfs/dbraw/zinc/08/62/56/625086256.db2.gz WFQYCZYGRHWGBY-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CCO1 ZINC000926605900 625258698 /nfs/dbraw/zinc/25/86/98/625258698.db2.gz ZEPLODQLNVIRNT-MKXAEBJUSA-N 2 1 296.455 2.175 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccco2)CC1 ZINC000177891477 625908784 /nfs/dbraw/zinc/90/87/84/625908784.db2.gz VRTGEVMTACVNGV-MRXNPFEDSA-N 2 1 280.412 2.340 20 0 CEADMP c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)nc1 ZINC000820805843 634531930 /nfs/dbraw/zinc/53/19/30/634531930.db2.gz SPIMVTQPDZTQBQ-ZXFUBFMLSA-N 2 1 271.408 2.372 20 0 CEADMP OCCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000820807260 634534622 /nfs/dbraw/zinc/53/46/22/634534622.db2.gz DSAKLQBHVHTTTP-YQQAZPJKSA-N 2 1 280.456 2.392 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)[C@H]1OC ZINC000892584958 627291431 /nfs/dbraw/zinc/29/14/31/627291431.db2.gz QEROGGYBJKIAHB-MWDXBVQZSA-N 2 1 298.471 2.423 20 0 CEADMP Cc1cc(F)ncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000892606361 627305342 /nfs/dbraw/zinc/30/53/42/627305342.db2.gz AFXOUKRWPYMYNU-ZIAGYGMSSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1cc(F)ncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000892606361 627305346 /nfs/dbraw/zinc/30/53/46/627305346.db2.gz AFXOUKRWPYMYNU-ZIAGYGMSSA-N 2 1 263.360 2.246 20 0 CEADMP C[C@H]1C[C@@H](Nc2cc(N)[nH+]cc2Cl)CC[N@H+]1C ZINC000892673903 627390071 /nfs/dbraw/zinc/39/00/71/627390071.db2.gz PPCOKMMILQJDOZ-IUCAKERBSA-N 2 1 254.765 2.212 20 0 CEADMP CCc1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)on1 ZINC000902328761 634589979 /nfs/dbraw/zinc/58/99/79/634589979.db2.gz NATRDTNXOXJMEH-LBPRGKRZSA-N 2 1 251.374 2.105 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166585696 627642205 /nfs/dbraw/zinc/64/22/05/627642205.db2.gz RWUGUZXWIZLMQZ-ZMSDIMECSA-N 2 1 274.408 2.245 20 0 CEADMP C[C@H](CO)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000678045881 627694069 /nfs/dbraw/zinc/69/40/69/627694069.db2.gz QKKKWGAAYRGTNQ-HRCADAONSA-N 2 1 268.445 2.201 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000311872211 627709917 /nfs/dbraw/zinc/70/99/17/627709917.db2.gz LUEKYVZADCRSDF-LSDHHAIUSA-N 2 1 260.381 2.058 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000311872211 627709921 /nfs/dbraw/zinc/70/99/21/627709921.db2.gz LUEKYVZADCRSDF-LSDHHAIUSA-N 2 1 260.381 2.058 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H](Nc2nccn3c[nH+]cc23)C1 ZINC000892821017 627790903 /nfs/dbraw/zinc/79/09/03/627790903.db2.gz AKUSKFKVDFZDCQ-RYUDHWBXSA-N 2 1 259.357 2.014 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](CO)c2ccsc2)C1 ZINC000902374955 634606119 /nfs/dbraw/zinc/60/61/19/634606119.db2.gz SOQVMNDFOIKGSU-STQMWFEESA-N 2 1 268.426 2.149 20 0 CEADMP Cc1ncc2c(n1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892949409 627884583 /nfs/dbraw/zinc/88/45/83/627884583.db2.gz UTRYKEYBFQYTKP-PLTIAYLTSA-N 2 1 286.423 2.377 20 0 CEADMP Cc1ncc2c(n1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892949409 627884586 /nfs/dbraw/zinc/88/45/86/627884586.db2.gz UTRYKEYBFQYTKP-PLTIAYLTSA-N 2 1 286.423 2.377 20 0 CEADMP c1cnc2c(c1)cccc2C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328564107 627890946 /nfs/dbraw/zinc/89/09/46/627890946.db2.gz JZAALIKCRIIWCM-YDRHNJASSA-N 2 1 279.387 2.321 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC2SCCS2)C1 ZINC000853023147 627923580 /nfs/dbraw/zinc/92/35/80/627923580.db2.gz OIEBFQXRQONZPP-WDEREUQCSA-N 2 1 260.472 2.242 20 0 CEADMP Cc1cc(C[C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)n[nH]1 ZINC000902359555 634616082 /nfs/dbraw/zinc/61/60/82/634616082.db2.gz DIWCQEUHDXDAAH-AAEUAGOBSA-N 2 1 264.417 2.017 20 0 CEADMP c1ccc(NCCC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925501626 627981530 /nfs/dbraw/zinc/98/15/30/627981530.db2.gz DBCDYXBDFIFSNR-HNNXBMFYSA-N 2 1 259.397 2.363 20 0 CEADMP CN(CCC[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925502447 627991548 /nfs/dbraw/zinc/99/15/48/627991548.db2.gz FEMRUMYDSKGUOA-MRXNPFEDSA-N 2 1 273.424 2.387 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925503347 627995199 /nfs/dbraw/zinc/99/51/99/627995199.db2.gz MZVHGUQQVSWQQD-PHPOFCCKSA-N 2 1 291.483 2.083 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2Cc3ccccc3CN2)C1 ZINC000902408227 634623826 /nfs/dbraw/zinc/62/38/26/634623826.db2.gz YQGIVGNNGWLVKZ-DLBZAZTESA-N 2 1 287.451 2.069 20 0 CEADMP C[C@H](O)C[C@H](C)CN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925511080 628041487 /nfs/dbraw/zinc/04/14/87/628041487.db2.gz FUODXGXOWAQMLM-PWNZVWSESA-N 2 1 250.386 2.072 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH2+]C(C)(C)C ZINC000930546008 628075842 /nfs/dbraw/zinc/07/58/42/628075842.db2.gz QDVDMJCQOBUWFV-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)[C@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000893172046 628082063 /nfs/dbraw/zinc/08/20/63/628082063.db2.gz CCHKJRYWNNSWGC-AWEZNQCLSA-N 2 1 284.444 2.284 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384513 634628319 /nfs/dbraw/zinc/62/83/19/634628319.db2.gz LRPWEPGZFSKOBX-HUUCEWRRSA-N 2 1 269.477 2.475 20 0 CEADMP CCC[N@@H+](CC)CCN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925530227 628129945 /nfs/dbraw/zinc/12/99/45/628129945.db2.gz PSMMBAUUBCNLTC-ZBFHGGJFSA-N 2 1 263.429 2.396 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+]CC[C@@H](C)[S@](C)=O)CC1 ZINC000925549206 628193596 /nfs/dbraw/zinc/19/35/96/628193596.db2.gz KSQJIVWQWNUBDV-KUHUBIRLSA-N 2 1 288.501 2.244 20 0 CEADMP CSc1ccccc1C[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902403677 634639489 /nfs/dbraw/zinc/63/94/89/634639489.db2.gz AMOPQCPIFNLXFM-LLVKDONJSA-N 2 1 250.411 2.420 20 0 CEADMP C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185225308 628225927 /nfs/dbraw/zinc/22/59/27/628225927.db2.gz IAZFGYFSDYBOHL-SWLSCSKDSA-N 2 1 289.379 2.342 20 0 CEADMP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(OC)c(OC)c1 ZINC000902415422 634641196 /nfs/dbraw/zinc/64/11/96/634641196.db2.gz NSCVLXGTHBVTRW-GFCCVEGCSA-N 2 1 264.369 2.236 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775383075 628251669 /nfs/dbraw/zinc/25/16/69/628251669.db2.gz UJQIBCWXQKGONO-FRRDWIJNSA-N 2 1 283.466 2.161 20 0 CEADMP Cc1cc(C)cc(OCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000925584321 628263281 /nfs/dbraw/zinc/26/32/81/628263281.db2.gz LEUQOJSBDSBEJW-KVDVXYDOSA-N 2 1 286.419 2.268 20 0 CEADMP NOCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000902426932 634648354 /nfs/dbraw/zinc/64/83/54/634648354.db2.gz ZGIJIJXHWQBHTA-OSYLJGHBSA-N 2 1 289.423 2.052 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1c[nH+]ccc1N ZINC000902428470 634649244 /nfs/dbraw/zinc/64/92/44/634649244.db2.gz DCCPICXMAIICDY-NVBFEUDRSA-N 2 1 261.369 2.102 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000925639944 628338260 /nfs/dbraw/zinc/33/82/60/628338260.db2.gz NPBVLXAUOOWSGK-GPANFISMSA-N 2 1 274.408 2.464 20 0 CEADMP C[C@@](O)(CC[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925647049 628348748 /nfs/dbraw/zinc/34/87/48/628348748.db2.gz XFHVPFQHMXMIQZ-JKSUJKDBSA-N 2 1 274.408 2.158 20 0 CEADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ncnn2-c2ccccc2)C1 ZINC000925655767 628363954 /nfs/dbraw/zinc/36/39/54/628363954.db2.gz HPZOFEQMFPVVAR-ZIAGYGMSSA-N 2 1 299.422 2.263 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000925664079 628378861 /nfs/dbraw/zinc/37/88/61/628378861.db2.gz YNYHUQKKXOZCQV-WFASDCNBSA-N 2 1 257.381 2.441 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])[C@H]2CCC[C@H]21 ZINC000902436187 634656478 /nfs/dbraw/zinc/65/64/78/634656478.db2.gz XVUIJUDVPYZQQT-CWQOZTLDSA-N 2 1 285.435 2.074 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000925676620 628465437 /nfs/dbraw/zinc/46/54/37/628465437.db2.gz KPGRQJFBHXFHKZ-GXFFZTMASA-N 2 1 287.329 2.373 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCO[C@H](c2cccnc2)C1 ZINC000925695072 628520440 /nfs/dbraw/zinc/52/04/40/628520440.db2.gz WPQAXFOKYWMFSJ-KKUMJFAQSA-N 2 1 275.396 2.032 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C[C@H]2NCCc3ccccc32)C[C@@H]([NH3+])C1 ZINC000925699996 628536681 /nfs/dbraw/zinc/53/66/81/628536681.db2.gz MPHYNLPTEAZYIU-HLLBOEOZSA-N 2 1 287.451 2.369 20 0 CEADMP C[NH+](C)C1(C)CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000931349665 628536980 /nfs/dbraw/zinc/53/69/80/628536980.db2.gz HABSCFNOXYYWBT-UHFFFAOYSA-N 2 1 289.423 2.431 20 0 CEADMP [NH3+]C[C@H]1CC[C@H](CN[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925701442 628540575 /nfs/dbraw/zinc/54/05/75/628540575.db2.gz ZPHGHYCQTZPSAI-RBSFLKMASA-N 2 1 265.445 2.016 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000925701839 628541003 /nfs/dbraw/zinc/54/10/03/628541003.db2.gz GTNFZOWLBRENDW-UGQVUOCMSA-N 3 1 261.413 2.005 20 0 CEADMP C[C@H]([NH3+])[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000925701839 628541008 /nfs/dbraw/zinc/54/10/08/628541008.db2.gz GTNFZOWLBRENDW-UGQVUOCMSA-N 2 1 261.413 2.005 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000925704279 628547734 /nfs/dbraw/zinc/54/77/34/628547734.db2.gz FPOAIQRDINGNHL-HOTGVXAUSA-N 2 1 264.413 2.043 20 0 CEADMP c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925711571 628561464 /nfs/dbraw/zinc/56/14/64/628561464.db2.gz TWDGQDNKJYTMEL-BBKQSLKASA-N 2 1 254.377 2.260 20 0 CEADMP CCCCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(C)C ZINC000902474640 634666772 /nfs/dbraw/zinc/66/67/72/634666772.db2.gz HBWDJPNNFPXDAI-SEBNEYGDSA-N 2 1 266.429 2.453 20 0 CEADMP CCC[C@H](CCO)N[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925724348 628618858 /nfs/dbraw/zinc/61/88/58/628618858.db2.gz JIODSLUJWFSOID-CFVMTHIKSA-N 2 1 250.386 2.216 20 0 CEADMP C[C@H]1CC[N@H+](CCOc2ccccc2F)C[C@H]1C[NH3+] ZINC000253182686 628645678 /nfs/dbraw/zinc/64/56/78/628645678.db2.gz GAMYYYQQRRXIKM-QWHCGFSZSA-N 2 1 266.360 2.121 20 0 CEADMP C[C@H]1CC[N@@H+](CCOc2ccccc2F)C[C@H]1C[NH3+] ZINC000253182686 628645683 /nfs/dbraw/zinc/64/56/83/628645683.db2.gz GAMYYYQQRRXIKM-QWHCGFSZSA-N 2 1 266.360 2.121 20 0 CEADMP COc1ccc2[nH+]ccc(N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)c2c1 ZINC000893549217 628730055 /nfs/dbraw/zinc/73/00/55/628730055.db2.gz NJCGVHMUSCWYGY-BETUJISGSA-N 2 1 283.375 2.241 20 0 CEADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000925785769 628824316 /nfs/dbraw/zinc/82/43/16/628824316.db2.gz QYWNUZBQVVFTPU-QVHKTLOISA-N 2 1 292.423 2.393 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000925788221 628829339 /nfs/dbraw/zinc/82/93/39/628829339.db2.gz ZDHJJYMVMHPQGV-XYVMCAHJSA-N 2 1 287.451 2.095 20 0 CEADMP C1CC2(C1)CCC[C@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925790938 628836002 /nfs/dbraw/zinc/83/60/02/628836002.db2.gz JNPJVZRTSJJHOC-LSDHHAIUSA-N 2 1 278.440 2.458 20 0 CEADMP C[C@@H]([NH2+]CCc1ccnn1-c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000925805927 628856884 /nfs/dbraw/zinc/85/68/84/628856884.db2.gz XARCKLCKFLEINT-PBHICJAKSA-N 2 1 284.407 2.145 20 0 CEADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C1(Br)CC1 ZINC000925806013 628856980 /nfs/dbraw/zinc/85/69/80/628856980.db2.gz NTMULVWJEDHROK-UWVGGRQHSA-N 2 1 284.201 2.104 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](c2ccccn2)C2CC2)C12CCC2 ZINC000925819395 628878571 /nfs/dbraw/zinc/87/85/71/628878571.db2.gz BHDUCHKPTGBFFI-QLFBSQMISA-N 2 1 257.381 2.392 20 0 CEADMP OCc1c[nH+]ccc1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000893661752 628901984 /nfs/dbraw/zinc/90/19/84/628901984.db2.gz ODXOGGVWMRPQBP-INIZCTEOSA-N 2 1 289.423 2.205 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc(Br)c1)[C@H](C)[NH3+] ZINC000261527701 628921698 /nfs/dbraw/zinc/92/16/98/628921698.db2.gz GDWZKUZEAWDONN-DTWKUNHWSA-N 2 1 257.175 2.274 20 0 CEADMP Cc1cc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)nn1C ZINC000925831113 628924928 /nfs/dbraw/zinc/92/49/28/628924928.db2.gz CFNBRYQQZNVQBH-FUHWJXTLSA-N 2 1 298.434 2.354 20 0 CEADMP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1nc(C(C)(C)C)no1 ZINC000893970540 629068362 /nfs/dbraw/zinc/06/83/62/629068362.db2.gz CRTLKJJLOLLFPU-LLVKDONJSA-N 2 1 280.416 2.360 20 0 CEADMP C[C@@H]1Cc2cc(CN3C[C@@H]4C[N@H+](C)C[C@@H]4C3)ccc2O1 ZINC000894082160 629112990 /nfs/dbraw/zinc/11/29/90/629112990.db2.gz AITFGHGOXDUKBE-WQVCFCJDSA-N 2 1 272.392 2.003 20 0 CEADMP C[C@@H]1Cc2cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)ccc2O1 ZINC000894082160 629112992 /nfs/dbraw/zinc/11/29/92/629112992.db2.gz AITFGHGOXDUKBE-WQVCFCJDSA-N 2 1 272.392 2.003 20 0 CEADMP C[C@@H]1Cc2cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)ccc2O1 ZINC000894082160 629112997 /nfs/dbraw/zinc/11/29/97/629112997.db2.gz AITFGHGOXDUKBE-WQVCFCJDSA-N 2 1 272.392 2.003 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCOc1cccc(F)c1 ZINC000902516956 634709996 /nfs/dbraw/zinc/70/99/96/634709996.db2.gz ICDKIQHXCXFSIY-AWEZNQCLSA-N 2 1 266.360 2.325 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902521410 634712941 /nfs/dbraw/zinc/71/29/41/634712941.db2.gz SJYRNYAVIQHBEL-BYNBJNPRSA-N 2 1 296.414 2.193 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC000927768219 629186790 /nfs/dbraw/zinc/18/67/90/629186790.db2.gz IGGIIMXFXUVCAT-OAHLLOKOSA-N 2 1 275.396 2.217 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000924948925 629286611 /nfs/dbraw/zinc/28/66/11/629286611.db2.gz FHOQCMRAVUQSEK-FVQBIDKESA-N 2 1 279.428 2.478 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000924954012 629291017 /nfs/dbraw/zinc/29/10/17/629291017.db2.gz SNXALWBPAFBFCX-HYVNUMGLSA-N 3 1 290.455 2.434 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC000924959978 629297825 /nfs/dbraw/zinc/29/78/25/629297825.db2.gz NDBJHTJAPYTQEX-KGLIPLIRSA-N 2 1 256.434 2.103 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CO[C@@H](C)[C@@H]2C)C1 ZINC000924961574 629299409 /nfs/dbraw/zinc/29/94/09/629299409.db2.gz WNUFDBSCFVQJJR-XQLPTFJDSA-N 2 1 254.418 2.120 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc2c1OCO2 ZINC000925013247 629353817 /nfs/dbraw/zinc/35/38/17/629353817.db2.gz ZTLPHGANHSHFLE-CHWSQXEVSA-N 2 1 276.380 2.408 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc2c1OCO2 ZINC000925013247 629353819 /nfs/dbraw/zinc/35/38/19/629353819.db2.gz ZTLPHGANHSHFLE-CHWSQXEVSA-N 2 1 276.380 2.408 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000894375732 629406409 /nfs/dbraw/zinc/40/64/09/629406409.db2.gz NGDHVLQNYODEPH-IXDOHACOSA-N 2 1 279.472 2.040 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000894457405 629471179 /nfs/dbraw/zinc/47/11/79/629471179.db2.gz BLUZWJGEEUKJDQ-GFCCVEGCSA-N 2 1 278.425 2.216 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000894457405 629471180 /nfs/dbraw/zinc/47/11/80/629471180.db2.gz BLUZWJGEEUKJDQ-GFCCVEGCSA-N 2 1 278.425 2.216 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC3(C2)CO[C@H](C)C3)C1 ZINC000894455863 629472319 /nfs/dbraw/zinc/47/23/19/629472319.db2.gz MGQQWLBUOJDNPH-WXLSXGNJSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(N)[nH+]cc1Cl ZINC000894495882 629497320 /nfs/dbraw/zinc/49/73/20/629497320.db2.gz MQXIPDCEPJSKAG-NSHDSACASA-N 3 1 299.850 2.001 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(N)[nH+]cc1Cl ZINC000894495882 629497324 /nfs/dbraw/zinc/49/73/24/629497324.db2.gz MQXIPDCEPJSKAG-NSHDSACASA-N 3 1 299.850 2.001 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3cccs3)C2)C1 ZINC000795316474 629512108 /nfs/dbraw/zinc/51/21/08/629512108.db2.gz RVYMXRODAZKMBU-CQSZACIVSA-N 2 1 250.411 2.318 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCc3cccs3)C2)C1 ZINC000795316474 629512110 /nfs/dbraw/zinc/51/21/10/629512110.db2.gz RVYMXRODAZKMBU-CQSZACIVSA-N 2 1 250.411 2.318 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3cccs3)C2)C1 ZINC000795316474 629512113 /nfs/dbraw/zinc/51/21/13/629512113.db2.gz RVYMXRODAZKMBU-CQSZACIVSA-N 2 1 250.411 2.318 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000894810515 629653139 /nfs/dbraw/zinc/65/31/39/629653139.db2.gz HJKXBWKXFWYFTH-KRWDZBQOSA-N 2 1 296.455 2.382 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928437681 629664839 /nfs/dbraw/zinc/66/48/39/629664839.db2.gz CPPHIXXTKOZVEY-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP COC(=O)c1sccc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000894861914 629699452 /nfs/dbraw/zinc/69/94/52/629699452.db2.gz YOMVMRPXMNDJOT-GFCCVEGCSA-N 2 1 296.436 2.356 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)C1CCC2(CC1)OCCO2 ZINC000795892361 629701863 /nfs/dbraw/zinc/70/18/63/629701863.db2.gz PPLNLRASTSAHGV-UHFFFAOYSA-N 2 1 294.439 2.136 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCO2)CC[N@@H+]1Cc1ccccc1 ZINC000894876252 629711763 /nfs/dbraw/zinc/71/17/63/629711763.db2.gz PHJKILCQIOUICN-HYVNUMGLSA-N 2 1 290.407 2.002 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCO2)CC[N@H+]1Cc1ccccc1 ZINC000894876252 629711765 /nfs/dbraw/zinc/71/17/65/629711765.db2.gz PHJKILCQIOUICN-HYVNUMGLSA-N 2 1 290.407 2.002 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]CC[C@@H](C)[NH+](C)C)c1 ZINC000895290925 630081643 /nfs/dbraw/zinc/08/16/43/630081643.db2.gz WNRHCBOQNJGNMD-GFCCVEGCSA-N 2 1 263.385 2.075 20 0 CEADMP CC1=NO[C@H](CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000895308366 630097285 /nfs/dbraw/zinc/09/72/85/630097285.db2.gz KXEZDYKBGROGDJ-KRWDZBQOSA-N 2 1 287.407 2.405 20 0 CEADMP CC1=NO[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000895308366 630097289 /nfs/dbraw/zinc/09/72/89/630097289.db2.gz KXEZDYKBGROGDJ-KRWDZBQOSA-N 2 1 287.407 2.405 20 0 CEADMP Cc1ccc([C@H](O)[C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000797065359 630123017 /nfs/dbraw/zinc/12/30/17/630123017.db2.gz WMNOPQDCODMPJG-XJKSGUPXSA-N 2 1 262.397 2.101 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1CCCc1cnn(C)c1 ZINC000895378170 630150390 /nfs/dbraw/zinc/15/03/90/630150390.db2.gz HSEVWKWKDUAKJR-DOTOQJQBSA-N 2 1 292.471 2.405 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1C ZINC000895428503 630179020 /nfs/dbraw/zinc/17/90/20/630179020.db2.gz HOJTULNQQWFNJX-CYBMUJFWSA-N 2 1 278.396 2.211 20 0 CEADMP COCC[N@H+](Cc1ccc(OC)o1)CC1CC[NH+](C)CC1 ZINC000895692065 630303459 /nfs/dbraw/zinc/30/34/59/630303459.db2.gz NFUFEKOEBVLPMK-UHFFFAOYSA-N 2 1 296.411 2.078 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902744854 634806317 /nfs/dbraw/zinc/80/63/17/634806317.db2.gz HNODKXVIWQHLGB-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3CSC[C@H]3C2)CC1 ZINC000895845549 630368827 /nfs/dbraw/zinc/36/88/27/630368827.db2.gz WSSAOWQOPPZPRG-UONOGXRCSA-N 2 1 254.443 2.013 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000895972159 630423967 /nfs/dbraw/zinc/42/39/67/630423967.db2.gz RTQPRLWCCWWQJL-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000895972159 630423968 /nfs/dbraw/zinc/42/39/68/630423968.db2.gz RTQPRLWCCWWQJL-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000895972159 630423970 /nfs/dbraw/zinc/42/39/70/630423970.db2.gz RTQPRLWCCWWQJL-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000896445492 630567730 /nfs/dbraw/zinc/56/77/30/630567730.db2.gz REZZFHYJZBEVMR-HNNXBMFYSA-N 2 1 295.471 2.288 20 0 CEADMP CCO[C@@H](C[NH2+]C[C@@H]1CCc2ccccc21)C[NH+](C)C ZINC000896880556 630699460 /nfs/dbraw/zinc/69/94/60/630699460.db2.gz XBSPVJQQCWHODF-HOTGVXAUSA-N 2 1 276.424 2.273 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCc1nc(C)c(C)[nH]1 ZINC000896920227 630812196 /nfs/dbraw/zinc/81/21/96/630812196.db2.gz JVJRCFLTTPKPMR-UHFFFAOYSA-N 2 1 280.416 2.155 20 0 CEADMP CCOCCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179036 630991408 /nfs/dbraw/zinc/99/14/08/630991408.db2.gz ZESNAUUDKAZNIS-UHFFFAOYSA-N 2 1 254.418 2.221 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000799348972 631017835 /nfs/dbraw/zinc/01/78/35/631017835.db2.gz AKEVPSRTHMOWIY-KRWDZBQOSA-N 2 1 299.418 2.231 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CCCO)CC[N@@H+]1C ZINC000925142638 631021932 /nfs/dbraw/zinc/02/19/32/631021932.db2.gz PCCNFAGTANGFKO-QKPAOTATSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CCCO)CC[N@H+]1C ZINC000925142638 631021937 /nfs/dbraw/zinc/02/19/37/631021937.db2.gz PCCNFAGTANGFKO-QKPAOTATSA-N 2 1 268.445 2.390 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000904334263 635577604 /nfs/dbraw/zinc/57/76/04/635577604.db2.gz QMPUHYCONXKUDP-KGLIPLIRSA-N 3 1 255.450 2.201 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000904334263 635577608 /nfs/dbraw/zinc/57/76/08/635577608.db2.gz QMPUHYCONXKUDP-KGLIPLIRSA-N 3 1 255.450 2.201 20 0 CEADMP COC(=O)c1ccccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000897310702 631078982 /nfs/dbraw/zinc/07/89/82/631078982.db2.gz CPHURYTVAMKFKW-DZGCQCFKSA-N 2 1 290.407 2.088 20 0 CEADMP CC(C)OC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000800239041 631100755 /nfs/dbraw/zinc/10/07/55/631100755.db2.gz COIAYFXPFWQEDJ-HOCLYGCPSA-N 2 1 284.444 2.033 20 0 CEADMP CC[N@@H+](CC(=O)Nc1ccc(C[NH+](C)C)cc1C)C1CC1 ZINC000909606476 631127515 /nfs/dbraw/zinc/12/75/15/631127515.db2.gz PKERKNSLLTVKOO-UHFFFAOYSA-N 2 1 289.423 2.479 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C2CC3(C2)CO[C@@H](C)C3)[C@H](C)C1 ZINC000925170989 631144604 /nfs/dbraw/zinc/14/46/04/631144604.db2.gz OUTNTLMCWFMFPK-QTJAEWGCSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)[N@@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000985714661 631175596 /nfs/dbraw/zinc/17/55/96/631175596.db2.gz MTFXYEBCUBIQNE-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000985801974 631183891 /nfs/dbraw/zinc/18/38/91/631183891.db2.gz LHHFGGKVFQDMSF-GJZGRUSLSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCCCC1 ZINC000897376569 631252514 /nfs/dbraw/zinc/25/25/14/631252514.db2.gz ZLKXUBKACRCLPY-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000897420811 631342653 /nfs/dbraw/zinc/34/26/53/631342653.db2.gz IOEYNTBWJDXFPY-OLZOCXBDSA-N 2 1 297.443 2.116 20 0 CEADMP COc1cc(C)c(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c(C)n1 ZINC000897621493 631826189 /nfs/dbraw/zinc/82/61/89/631826189.db2.gz DGCZXKDSHXDUNK-WMLDXEAASA-N 2 1 289.423 2.091 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@@]3(C)Br)C[C@]2(C)C1 ZINC000897620481 631830710 /nfs/dbraw/zinc/83/07/10/631830710.db2.gz PREGFZBJDAYMQC-QNWHQSFQSA-N 2 1 287.245 2.043 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@@]3(C)Br)C[C@]2(C)C1 ZINC000897620481 631830716 /nfs/dbraw/zinc/83/07/16/631830716.db2.gz PREGFZBJDAYMQC-QNWHQSFQSA-N 2 1 287.245 2.043 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3C[C@@]3(C)Br)C[C@]2(C)C1 ZINC000897620481 631830721 /nfs/dbraw/zinc/83/07/21/631830721.db2.gz PREGFZBJDAYMQC-QNWHQSFQSA-N 2 1 287.245 2.043 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3C[C@@]3(C)Br)C[C@]2(C)C1 ZINC000897620481 631830727 /nfs/dbraw/zinc/83/07/27/631830727.db2.gz PREGFZBJDAYMQC-QNWHQSFQSA-N 2 1 287.245 2.043 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc([C@H](C)O)s2)C1 ZINC000809735897 632134729 /nfs/dbraw/zinc/13/47/29/632134729.db2.gz XASPTCZEMMQVOV-NWDGAFQWSA-N 2 1 283.441 2.016 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc([C@H](C)O)s2)C1 ZINC000809735897 632134731 /nfs/dbraw/zinc/13/47/31/632134731.db2.gz XASPTCZEMMQVOV-NWDGAFQWSA-N 2 1 283.441 2.016 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CCCc2ccccc2C1)C[NH+](C)C ZINC000926959872 632386636 /nfs/dbraw/zinc/38/66/36/632386636.db2.gz KVRYHFPHOXWSOJ-ZWKOTPCHSA-N 2 1 290.451 2.490 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1(Br)CC1 ZINC000924647381 632387365 /nfs/dbraw/zinc/38/73/65/632387365.db2.gz JKYGTNPCUPQXSK-MNOVXSKESA-N 2 1 287.245 2.376 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C)C[NH+](C)C ZINC000926963207 632391323 /nfs/dbraw/zinc/39/13/23/632391323.db2.gz SZTWNRRTUCKIRW-GBJTYRQASA-N 2 1 256.434 2.367 20 0 CEADMP CCO[C@H](C[NH2+][C@H](C)C1CCSCC1)C[NH+](C)C ZINC000926964540 632392548 /nfs/dbraw/zinc/39/25/48/632392548.db2.gz XSDOUISDBSDJGD-TZMCWYRMSA-N 2 1 274.474 2.074 20 0 CEADMP CCO[C@H](C[NH2+][C@H](C)c1ccc(OC)c(F)c1)CN(C)C ZINC000926966948 632397600 /nfs/dbraw/zinc/39/76/00/632397600.db2.gz YXSMEYHBHIDPKO-TZMCWYRMSA-N 2 1 298.402 2.452 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c2ncnn21 ZINC000924684157 632417247 /nfs/dbraw/zinc/41/72/47/632417247.db2.gz CHSSYRCRNSTWFS-QLFBSQMISA-N 2 1 291.443 2.386 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000924730787 632472854 /nfs/dbraw/zinc/47/28/54/632472854.db2.gz GUCVWQHWQXTCTB-CSOLROPVSA-N 2 1 294.826 2.303 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](CC(=O)OC)C2)[C@H](C)C1 ZINC000898481074 632513796 /nfs/dbraw/zinc/51/37/96/632513796.db2.gz LTTFZRDASPSLPA-LXTVHRRPSA-N 2 1 282.428 2.038 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000924752770 632739819 /nfs/dbraw/zinc/73/98/19/632739819.db2.gz CWNFDKYOYHOYPV-ZBCRRDGASA-N 2 1 266.429 2.002 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])N[C@H](C)C2CC2)C1 ZINC000899264554 632762251 /nfs/dbraw/zinc/76/22/51/632762251.db2.gz IGTXKXIFVSLAPC-OLZOCXBDSA-N 2 1 266.433 2.019 20 0 CEADMP C[N@H+]1CCC[C@]2(CCN(C[C@H](O)c3cccc(F)c3)C2)C1 ZINC000815144458 632970579 /nfs/dbraw/zinc/97/05/79/632970579.db2.gz ZXLKQEOKEKPRKK-IRXDYDNUSA-N 2 1 292.398 2.277 20 0 CEADMP C[NH+](C)CCCOC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815443942 633020039 /nfs/dbraw/zinc/02/00/39/633020039.db2.gz NWYPIYRDOOQSTE-HNNXBMFYSA-N 2 1 282.428 2.278 20 0 CEADMP CC[C@H](C)C[C@@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000900005863 633170493 /nfs/dbraw/zinc/17/04/93/633170493.db2.gz MVRJYODJFYGSRP-VHSXEESVSA-N 2 1 252.362 2.234 20 0 CEADMP CCc1cc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)[nH]n1 ZINC000817891591 633753928 /nfs/dbraw/zinc/75/39/28/633753928.db2.gz DXCHSDZBYQOTEJ-TZMCWYRMSA-N 2 1 264.417 2.373 20 0 CEADMP Cc1ccc(OC[C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000817897605 633758438 /nfs/dbraw/zinc/75/84/38/633758438.db2.gz SVKGISAQIOMLQI-IJEWVQPXSA-N 2 1 262.397 2.492 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1c[nH+]ccc1N ZINC000817898279 633758943 /nfs/dbraw/zinc/75/89/43/633758943.db2.gz DRZCOGHRLCUDJB-MEBBXXQBSA-N 2 1 275.327 2.017 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000817898674 633759798 /nfs/dbraw/zinc/75/97/98/633759798.db2.gz KBEMFVKZQPLZTE-CABCVRRESA-N 2 1 285.395 2.017 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])o1 ZINC000817912126 633770225 /nfs/dbraw/zinc/77/02/25/633770225.db2.gz FNXVQXORPKQAFM-VNQPRFMTSA-N 2 1 288.391 2.170 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H](C)[NH+]1CCCCC1 ZINC000817914663 633772928 /nfs/dbraw/zinc/77/29/28/633772928.db2.gz XJPJRPZHDQFRGJ-ZIAGYGMSSA-N 2 1 290.455 2.374 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](C)[NH+]1CCCCC1 ZINC000817914661 633773917 /nfs/dbraw/zinc/77/39/17/633773917.db2.gz XJPJRPZHDQFRGJ-KGLIPLIRSA-N 2 1 290.455 2.374 20 0 CEADMP O[C@H](CNC1CC[NH+](C2CC2)CC1)c1cc(F)ccc1F ZINC000818945414 634012950 /nfs/dbraw/zinc/01/29/50/634012950.db2.gz FPKCUPYSSDMCIB-MRXNPFEDSA-N 2 1 296.361 2.215 20 0 CEADMP O[C@@H](CNC1CC[NH+](C2CC2)CC1)c1cc(F)ccc1F ZINC000818945413 634013027 /nfs/dbraw/zinc/01/30/27/634013027.db2.gz FPKCUPYSSDMCIB-INIZCTEOSA-N 2 1 296.361 2.215 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000818966583 634020197 /nfs/dbraw/zinc/02/01/97/634020197.db2.gz SSJBFTXCIMONOT-CZUORRHYSA-N 2 1 273.380 2.151 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000818968208 634021913 /nfs/dbraw/zinc/02/19/13/634021913.db2.gz NQGJCIINPIHCLI-OAHLLOKOSA-N 2 1 277.343 2.044 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000818979920 634025921 /nfs/dbraw/zinc/02/59/21/634025921.db2.gz DPPDBBWTXFUUMQ-BLLLJJGKSA-N 2 1 298.377 2.320 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cc2F)C1 ZINC000818981192 634027754 /nfs/dbraw/zinc/02/77/54/634027754.db2.gz SADXHNTVTRLKMR-WBMJQRKESA-N 2 1 298.377 2.320 20 0 CEADMP CC(C)[NH+](CCC[NH2+]C[C@H](O)c1ccc(F)cn1)C(C)C ZINC000819126752 634075786 /nfs/dbraw/zinc/07/57/86/634075786.db2.gz RDFXRMWHOZAIKS-INIZCTEOSA-N 2 1 297.418 2.353 20 0 CEADMP Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000819221542 634109153 /nfs/dbraw/zinc/10/91/53/634109153.db2.gz XZEHEIOWUWYUEK-YOEHRIQHSA-N 2 1 274.408 2.268 20 0 CEADMP Cc1ccccc1[C@@H](O)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000819363140 634155659 /nfs/dbraw/zinc/15/56/59/634155659.db2.gz UOKNELZEKPFCOO-KRWDZBQOSA-N 2 1 276.424 2.492 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2c(F)cccc2F)C1 ZINC000819365875 634156885 /nfs/dbraw/zinc/15/68/85/634156885.db2.gz DCWMYYGFUFSULL-IUODEOHRSA-N 2 1 298.377 2.320 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2c(F)cccc2F)C1 ZINC000819365877 634157216 /nfs/dbraw/zinc/15/72/16/634157216.db2.gz DCWMYYGFUFSULL-WFASDCNBSA-N 2 1 298.377 2.320 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2ccc(F)cc2F)C1 ZINC000819367479 634158880 /nfs/dbraw/zinc/15/88/80/634158880.db2.gz ZWFJXPLUQPTDKH-WBMJQRKESA-N 2 1 298.377 2.320 20 0 CEADMP CCO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000902973619 634924673 /nfs/dbraw/zinc/92/46/73/634924673.db2.gz VGRZMMGJIYIDAF-IXDOHACOSA-N 2 1 298.471 2.425 20 0 CEADMP CCO[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000902973619 634924675 /nfs/dbraw/zinc/92/46/75/634924675.db2.gz VGRZMMGJIYIDAF-IXDOHACOSA-N 2 1 298.471 2.425 20 0 CEADMP CCCn1cc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)nn1 ZINC000903015631 634926292 /nfs/dbraw/zinc/92/62/92/634926292.db2.gz HDIBLTFIRHVCDZ-ZDUSSCGKSA-N 2 1 279.432 2.213 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903072512 634967054 /nfs/dbraw/zinc/96/70/54/634967054.db2.gz KFOPJTHVBVONEJ-CJNGLKHVSA-N 2 1 259.397 2.464 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903072512 634967057 /nfs/dbraw/zinc/96/70/57/634967057.db2.gz KFOPJTHVBVONEJ-CJNGLKHVSA-N 2 1 259.397 2.464 20 0 CEADMP C[C@H]1CCC[N@H+]1CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903103603 634971046 /nfs/dbraw/zinc/97/10/46/634971046.db2.gz KUBZPPBKSABNPA-YTTRVJOFSA-N 2 1 277.456 2.218 20 0 CEADMP C[C@H]1CCC[NH+]1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903103603 634971048 /nfs/dbraw/zinc/97/10/48/634971048.db2.gz KUBZPPBKSABNPA-YTTRVJOFSA-N 2 1 277.456 2.218 20 0 CEADMP C[C@H]1CCC[NH+]1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903103603 634971050 /nfs/dbraw/zinc/97/10/50/634971050.db2.gz KUBZPPBKSABNPA-YTTRVJOFSA-N 2 1 277.456 2.218 20 0 CEADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)C ZINC000903104966 634972030 /nfs/dbraw/zinc/97/20/30/634972030.db2.gz NMXQLVXAQRLUKE-YPAMNDHTSA-N 2 1 266.429 2.405 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903110216 634973201 /nfs/dbraw/zinc/97/32/01/634973201.db2.gz AXNBLOVVSWZDBS-ZBXSSZBESA-N 2 1 289.467 2.217 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903110216 634973202 /nfs/dbraw/zinc/97/32/02/634973202.db2.gz AXNBLOVVSWZDBS-ZBXSSZBESA-N 2 1 289.467 2.217 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903110216 634973204 /nfs/dbraw/zinc/97/32/04/634973204.db2.gz AXNBLOVVSWZDBS-ZBXSSZBESA-N 2 1 289.467 2.217 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903110216 634973205 /nfs/dbraw/zinc/97/32/05/634973205.db2.gz AXNBLOVVSWZDBS-ZBXSSZBESA-N 2 1 289.467 2.217 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903110216 634973207 /nfs/dbraw/zinc/97/32/07/634973207.db2.gz AXNBLOVVSWZDBS-ZBXSSZBESA-N 2 1 289.467 2.217 20 0 CEADMP CCC[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903096657 634976604 /nfs/dbraw/zinc/97/66/04/634976604.db2.gz INDBBZOVCNFABO-WDVRLDOZSA-N 2 1 266.429 2.285 20 0 CEADMP CC[C@H](O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903122206 634980670 /nfs/dbraw/zinc/98/06/70/634980670.db2.gz XGXNVGTYTWCIED-WDVRLDOZSA-N 2 1 266.429 2.285 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCOC23CCCC3)CCCO1 ZINC000903158515 634993000 /nfs/dbraw/zinc/99/30/00/634993000.db2.gz BDTOVFVNQZVWTM-JKSUJKDBSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903160390 634993670 /nfs/dbraw/zinc/99/36/70/634993670.db2.gz LGVJIGYZWISOCZ-GJIXHBHRSA-N 2 1 264.413 2.159 20 0 CEADMP O[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C12CCC2 ZINC000903200518 635010361 /nfs/dbraw/zinc/01/03/61/635010361.db2.gz QJRSFMDETOMDEL-HJGRSGLPSA-N 2 1 276.424 2.037 20 0 CEADMP OC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903293486 635043839 /nfs/dbraw/zinc/04/38/39/635043839.db2.gz SXDBHLIQPACMAA-KURKYZTESA-N 2 1 288.435 2.197 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H](CO)CCc2ccccc2)[C@@H](C)C1 ZINC000903290468 635053646 /nfs/dbraw/zinc/05/36/46/635053646.db2.gz WTECYHNJZWQXLW-CGTJXYLNSA-N 2 1 290.451 2.300 20 0 CEADMP CC(C)O[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCOC1 ZINC000903357191 635083955 /nfs/dbraw/zinc/08/39/55/635083955.db2.gz KNWZFJSKTBZUEB-YVSFHVDLSA-N 2 1 296.455 2.033 20 0 CEADMP c1csc(C[C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000903418738 635107489 /nfs/dbraw/zinc/10/74/89/635107489.db2.gz SDSASUFAOXQXDJ-CQSZACIVSA-N 2 1 279.453 2.397 20 0 CEADMP Cc1ccc(OCC[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903429573 635113942 /nfs/dbraw/zinc/11/39/42/635113942.db2.gz HIFLGVLTURAPPJ-CABCVRRESA-N 2 1 262.397 2.161 20 0 CEADMP COc1ccc(OCC[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903427379 635114022 /nfs/dbraw/zinc/11/40/22/635114022.db2.gz XYAHJEIBHZZBCD-KGLIPLIRSA-N 2 1 278.396 2.133 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC000903464952 635127937 /nfs/dbraw/zinc/12/79/37/635127937.db2.gz ZWWPQZMQTSXVBK-HOCLYGCPSA-N 2 1 255.365 2.481 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC000903464952 635127941 /nfs/dbraw/zinc/12/79/41/635127941.db2.gz ZWWPQZMQTSXVBK-HOCLYGCPSA-N 2 1 255.365 2.481 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCN(C3CCCC3)CC2)C1 ZINC000903442042 635128663 /nfs/dbraw/zinc/12/86/63/635128663.db2.gz HDQPWWCRQCLGKR-LSDHHAIUSA-N 2 1 265.445 2.064 20 0 CEADMP [NH3+][C@@H]1CC[C@H](CN2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000903442042 635128665 /nfs/dbraw/zinc/12/86/65/635128665.db2.gz HDQPWWCRQCLGKR-LSDHHAIUSA-N 2 1 265.445 2.064 20 0 CEADMP [NH3+][C@@H]1CC[C@H](CN2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000903442042 635128666 /nfs/dbraw/zinc/12/86/66/635128666.db2.gz HDQPWWCRQCLGKR-LSDHHAIUSA-N 2 1 265.445 2.064 20 0 CEADMP CCc1ccc([C@H]2CNCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903451798 635135797 /nfs/dbraw/zinc/13/57/97/635135797.db2.gz DTMHNLLRSFRROF-BPQIPLTHSA-N 2 1 287.451 2.323 20 0 CEADMP CCc1ccc([C@H]2C[NH2+]CCN2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903451798 635135800 /nfs/dbraw/zinc/13/58/00/635135800.db2.gz DTMHNLLRSFRROF-BPQIPLTHSA-N 2 1 287.451 2.323 20 0 CEADMP CC[N@@H+](CCc1nccs1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903456290 635139020 /nfs/dbraw/zinc/13/90/20/635139020.db2.gz FUEZSFLFTKHRMP-NEPJUHHUSA-N 2 1 253.415 2.135 20 0 CEADMP COc1ccc(OCCC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903469266 635141693 /nfs/dbraw/zinc/14/16/93/635141693.db2.gz SJLFRXKZMCNWIN-MRXNPFEDSA-N 2 1 290.407 2.338 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000903474036 635143722 /nfs/dbraw/zinc/14/37/22/635143722.db2.gz GAWSTDPSJUVOGQ-CABCVRRESA-N 2 1 298.434 2.145 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@@H]1CC2(CCC2)CO1 ZINC000903481520 635148083 /nfs/dbraw/zinc/14/80/83/635148083.db2.gz FAXYKTMEZVYBEE-KBPBESRZSA-N 2 1 264.413 2.210 20 0 CEADMP c1cc(CC[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)sn1 ZINC000903482212 635150058 /nfs/dbraw/zinc/15/00/58/635150058.db2.gz ZJSXKSRUQQUNHJ-AWEZNQCLSA-N 2 1 265.426 2.151 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903500167 635154489 /nfs/dbraw/zinc/15/44/89/635154489.db2.gz UKDCMBDRZMUUHN-TZMCWYRMSA-N 2 1 272.396 2.059 20 0 CEADMP c1ccc([C@]23C[C@H]2C[N@H+](C[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC000903490837 635156273 /nfs/dbraw/zinc/15/62/73/635156273.db2.gz JTNLOCXPYAJAEY-HYVNUMGLSA-N 2 1 256.393 2.260 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C1CCCC1 ZINC000903497481 635157804 /nfs/dbraw/zinc/15/78/04/635157804.db2.gz ZGFPLLWQTSDSNX-HUUCEWRRSA-N 2 1 295.471 2.083 20 0 CEADMP Cn1nccc1[C@@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000903566121 635164522 /nfs/dbraw/zinc/16/45/22/635164522.db2.gz IYLGBXJPYWHTBI-HNNXBMFYSA-N 2 1 264.417 2.466 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(Cc3cc(F)ncc3F)CC[C@H]21 ZINC000823489244 635196105 /nfs/dbraw/zinc/19/61/05/635196105.db2.gz CLJAEEHBOIHACA-BXUZGUMPSA-N 2 1 281.350 2.276 20 0 CEADMP CCCC[N@@H+](CC)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717463 635232318 /nfs/dbraw/zinc/23/23/18/635232318.db2.gz AQGOCMXHMOXQEB-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP CC1CCC([N@@H+](C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903718361 635233535 /nfs/dbraw/zinc/23/35/35/635233535.db2.gz LEWFYGBZCOXXPK-CKUJCDMFSA-N 2 1 266.429 2.266 20 0 CEADMP c1cc2c(s1)CCC[N@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903728593 635241262 /nfs/dbraw/zinc/24/12/62/635241262.db2.gz CICBPDLKBQLDPA-GDBMZVCRSA-N 2 1 292.448 2.265 20 0 CEADMP C[N@@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)C1CC[NH2+]CC1 ZINC000903713350 635244581 /nfs/dbraw/zinc/24/45/81/635244581.db2.gz NXZGWTCGZSMKSC-RYUDHWBXSA-N 2 1 280.334 2.170 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903747080 635246876 /nfs/dbraw/zinc/24/68/76/635246876.db2.gz OZKMGXHAYZXIGP-SDDRHHMPSA-N 2 1 280.334 2.157 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903747080 635246879 /nfs/dbraw/zinc/24/68/79/635246879.db2.gz OZKMGXHAYZXIGP-SDDRHHMPSA-N 2 1 280.334 2.157 20 0 CEADMP CCSCC[C@H](C)[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903733965 635250853 /nfs/dbraw/zinc/25/08/53/635250853.db2.gz NLIAJHKUBVTTAX-SOUVJXGZSA-N 2 1 286.485 2.219 20 0 CEADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC2(C1)CCCCC2 ZINC000903734584 635250903 /nfs/dbraw/zinc/25/09/03/635250903.db2.gz SEARBWZSRQYVMO-RDJZCZTQSA-N 2 1 278.440 2.411 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCOC2CCSCC2)C[C@H]1C[NH3+] ZINC000903761344 635255544 /nfs/dbraw/zinc/25/55/44/635255544.db2.gz QFTBMQOHKVXFDU-MGPQQGTHSA-N 2 1 286.485 2.204 20 0 CEADMP Cc1ccc2c(c1)C[N@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903767228 635258587 /nfs/dbraw/zinc/25/85/87/635258587.db2.gz FWUZELIKBFUTHV-ZWKOTPCHSA-N 2 1 286.419 2.122 20 0 CEADMP C[C@H]1CC(F)(F)CC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903769372 635259345 /nfs/dbraw/zinc/25/93/45/635259345.db2.gz DXAJJWZIGPINMI-STQMWFEESA-N 2 1 288.382 2.265 20 0 CEADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000903769440 635259753 /nfs/dbraw/zinc/25/97/53/635259753.db2.gz GEGYFANQFPIIMS-YVSFHVDLSA-N 2 1 278.440 2.410 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000903778052 635265734 /nfs/dbraw/zinc/26/57/34/635265734.db2.gz JMDGTGRADMYZRV-HNNXBMFYSA-N 2 1 282.407 2.050 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000903778053 635265991 /nfs/dbraw/zinc/26/59/91/635265991.db2.gz JMDGTGRADMYZRV-OAHLLOKOSA-N 2 1 282.407 2.050 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C[C@H]1C[NH3+] ZINC000903788037 635269603 /nfs/dbraw/zinc/26/96/03/635269603.db2.gz ARBXHUNDRJTPGG-KKOKHZNYSA-N 2 1 280.334 2.013 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H](O)CCc1ccccc1 ZINC000903804215 635281191 /nfs/dbraw/zinc/28/11/91/635281191.db2.gz AXDMBULJAZHKDK-OKZBNKHCSA-N 2 1 288.435 2.183 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H](O)CCc1ccccc1 ZINC000903804215 635281194 /nfs/dbraw/zinc/28/11/94/635281194.db2.gz AXDMBULJAZHKDK-OKZBNKHCSA-N 2 1 288.435 2.183 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCO[C@@H]2CC2(F)F)CCC1 ZINC000903813226 635288054 /nfs/dbraw/zinc/28/80/54/635288054.db2.gz ZIGHBYRTWABYEW-QWHCGFSZSA-N 2 1 288.382 2.394 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827750 635294411 /nfs/dbraw/zinc/29/44/11/635294411.db2.gz WBCXQCBTCSIABB-KWCYVHTRSA-N 2 1 254.443 2.059 20 0 CEADMP CO[C@H](C[N@H+]1CC[NH2+]CCC12CCOCC2)C1CCCC1 ZINC000903818344 635299777 /nfs/dbraw/zinc/29/97/77/635299777.db2.gz HMGXNCCBKQZZBS-MRXNPFEDSA-N 2 1 296.455 2.036 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCCOc1ccccc1 ZINC000903854370 635305460 /nfs/dbraw/zinc/30/54/60/635305460.db2.gz JRBWYAZDISXMLK-GDBMZVCRSA-N 2 1 260.381 2.269 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCCOc1ccccc1 ZINC000903854370 635305467 /nfs/dbraw/zinc/30/54/67/635305467.db2.gz JRBWYAZDISXMLK-GDBMZVCRSA-N 2 1 260.381 2.269 20 0 CEADMP CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1CCCCO1 ZINC000903890877 635317337 /nfs/dbraw/zinc/31/73/37/635317337.db2.gz HFKBYVAZAQVFBT-NWDGAFQWSA-N 2 1 264.360 2.250 20 0 CEADMP CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1CCCCO1 ZINC000903890877 635317341 /nfs/dbraw/zinc/31/73/41/635317341.db2.gz HFKBYVAZAQVFBT-NWDGAFQWSA-N 2 1 264.360 2.250 20 0 CEADMP C[C@]12CSC[C@H]1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000903870825 635319689 /nfs/dbraw/zinc/31/96/89/635319689.db2.gz KVXNSOMHKWALFH-MCIONIFRSA-N 2 1 254.443 2.061 20 0 CEADMP C(C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1)[C@@H]1CC[NH2+]C1 ZINC000903874529 635322861 /nfs/dbraw/zinc/32/28/61/635322861.db2.gz CNHJAAHTDZHSBJ-ARFHVFGLSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@@H](O)C[N@H+](Cc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903887028 635327361 /nfs/dbraw/zinc/32/73/61/635327361.db2.gz XULBFDCKDMIXKP-CCNLRDMRSA-N 2 1 288.435 2.400 20 0 CEADMP c1c[nH]c([C@@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903886371 635328066 /nfs/dbraw/zinc/32/80/66/635328066.db2.gz RCIPQWWUSKADSJ-NUDNTCICSA-N 3 1 274.412 2.120 20 0 CEADMP CC(C)(C)[C@@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903914926 635328513 /nfs/dbraw/zinc/32/85/13/635328513.db2.gz MFECEZNKVLKFHZ-ZIAGYGMSSA-N 2 1 291.443 2.071 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903894903 635330643 /nfs/dbraw/zinc/33/06/43/635330643.db2.gz HHEHMIMMXIQAHK-HMQMGEFJSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903894903 635330646 /nfs/dbraw/zinc/33/06/46/635330646.db2.gz HHEHMIMMXIQAHK-HMQMGEFJSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903894903 635330653 /nfs/dbraw/zinc/33/06/53/635330653.db2.gz HHEHMIMMXIQAHK-HMQMGEFJSA-N 3 1 279.472 2.323 20 0 CEADMP CN1CCCC[C@H]1CC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903894903 635330654 /nfs/dbraw/zinc/33/06/54/635330654.db2.gz HHEHMIMMXIQAHK-HMQMGEFJSA-N 2 1 279.472 2.323 20 0 CEADMP CN1CCCC[C@H]1CC[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903894903 635330657 /nfs/dbraw/zinc/33/06/57/635330657.db2.gz HHEHMIMMXIQAHK-HMQMGEFJSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903896286 635332358 /nfs/dbraw/zinc/33/23/58/635332358.db2.gz AEUXVZJEQHYYBS-XYTVBORESA-N 3 1 279.472 2.181 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903896286 635332359 /nfs/dbraw/zinc/33/23/59/635332359.db2.gz AEUXVZJEQHYYBS-XYTVBORESA-N 3 1 279.472 2.181 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903896286 635332362 /nfs/dbraw/zinc/33/23/62/635332362.db2.gz AEUXVZJEQHYYBS-XYTVBORESA-N 3 1 279.472 2.181 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000903909250 635343076 /nfs/dbraw/zinc/34/30/76/635343076.db2.gz SHZMNAMMVREZNW-MKXAEBJUSA-N 3 1 279.472 2.322 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000903909250 635343078 /nfs/dbraw/zinc/34/30/78/635343078.db2.gz SHZMNAMMVREZNW-MKXAEBJUSA-N 3 1 279.472 2.322 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000903909250 635343086 /nfs/dbraw/zinc/34/30/86/635343086.db2.gz SHZMNAMMVREZNW-MKXAEBJUSA-N 3 1 279.472 2.322 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000903909250 635343093 /nfs/dbraw/zinc/34/30/93/635343093.db2.gz SHZMNAMMVREZNW-MKXAEBJUSA-N 2 1 279.472 2.322 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000903909250 635343095 /nfs/dbraw/zinc/34/30/95/635343095.db2.gz SHZMNAMMVREZNW-MKXAEBJUSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903911191 635344654 /nfs/dbraw/zinc/34/46/54/635344654.db2.gz YPFKPVQTXNLCKF-GLJUWKHASA-N 2 1 288.435 2.314 20 0 CEADMP Cc1cccc(C)c1CC[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903922685 635351008 /nfs/dbraw/zinc/35/10/08/635351008.db2.gz BZIMSEQDAVUFCF-LBPRGKRZSA-N 2 1 256.340 2.418 20 0 CEADMP C[C@@H](CO)[N@H+](Cc1cccc2c1CC[NH2+]C2)CC1CCC1 ZINC000903927885 635354534 /nfs/dbraw/zinc/35/45/34/635354534.db2.gz UVAUXSGRZYOPAL-AWEZNQCLSA-N 2 1 288.435 2.315 20 0 CEADMP CC(C)(CO)[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903926308 635354578 /nfs/dbraw/zinc/35/45/78/635354578.db2.gz KMXVZOCPTURBMN-TZMCWYRMSA-N 2 1 286.366 2.318 20 0 CEADMP c1ncc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000903959149 635369680 /nfs/dbraw/zinc/36/96/80/635369680.db2.gz BPTDXKHSJJYTIO-ZDUSSCGKSA-N 2 1 251.399 2.109 20 0 CEADMP c1ncc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000903959149 635369701 /nfs/dbraw/zinc/36/97/01/635369701.db2.gz BPTDXKHSJJYTIO-ZDUSSCGKSA-N 2 1 251.399 2.109 20 0 CEADMP CC(C)n1nccc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960172 635369908 /nfs/dbraw/zinc/36/99/08/635369908.db2.gz YEBLJOYBMXEIKY-MRXNPFEDSA-N 2 1 276.428 2.430 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960172 635369912 /nfs/dbraw/zinc/36/99/12/635369912.db2.gz YEBLJOYBMXEIKY-MRXNPFEDSA-N 2 1 276.428 2.430 20 0 CEADMP COC(=O)c1ccc(Cl)c(C[NH2+]CCC(C)(C)[NH3+])c1 ZINC000903939739 635372993 /nfs/dbraw/zinc/37/29/93/635372993.db2.gz LDSQVFXCNPCWRZ-UHFFFAOYSA-N 2 1 284.787 2.344 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2sccc2OC)CC1 ZINC000903946289 635377480 /nfs/dbraw/zinc/37/74/80/635377480.db2.gz NFKGJEUNTYSEMC-UHFFFAOYSA-N 2 1 254.399 2.460 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903976833 635394416 /nfs/dbraw/zinc/39/44/16/635394416.db2.gz CRJYBOPAKDRPPK-ZIAGYGMSSA-N 2 1 292.423 2.429 20 0 CEADMP CC(C)c1ncc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000903964891 635398837 /nfs/dbraw/zinc/39/88/37/635398837.db2.gz TVNZVQIQPJDYIJ-MNOVXSKESA-N 2 1 253.415 2.212 20 0 CEADMP Cn1ccc([C@@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903988609 635406345 /nfs/dbraw/zinc/40/63/45/635406345.db2.gz UIPFOVBURANFSP-VIYLOZMYSA-N 2 1 288.439 2.130 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000824658575 635471984 /nfs/dbraw/zinc/47/19/84/635471984.db2.gz MULVSOHXTIWCMS-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000824658575 635471991 /nfs/dbraw/zinc/47/19/91/635471991.db2.gz MULVSOHXTIWCMS-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000824658575 635471995 /nfs/dbraw/zinc/47/19/95/635471995.db2.gz MULVSOHXTIWCMS-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+](C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904299895 635553677 /nfs/dbraw/zinc/55/36/77/635553677.db2.gz QVQPODUYOQYZHF-TZMCWYRMSA-N 3 1 255.450 2.199 20 0 CEADMP CC[N@@H+](CCc1ccccn1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904312315 635560149 /nfs/dbraw/zinc/56/01/49/635560149.db2.gz HASQUVNFJUZPMV-INIZCTEOSA-N 2 1 261.413 2.336 20 0 CEADMP [NH3+][C@H]1C[C@@H](CN2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000904311762 635560361 /nfs/dbraw/zinc/56/03/61/635560361.db2.gz BLQQAROXJPKROA-CALCHBBNSA-N 2 1 279.472 2.312 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCN(CC3CCCCC3)CC2)C1 ZINC000904311762 635560365 /nfs/dbraw/zinc/56/03/65/635560365.db2.gz BLQQAROXJPKROA-CALCHBBNSA-N 2 1 279.472 2.312 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCN(CC3CCCCC3)CC2)C1 ZINC000904311762 635560369 /nfs/dbraw/zinc/56/03/69/635560369.db2.gz BLQQAROXJPKROA-CALCHBBNSA-N 2 1 279.472 2.312 20 0 CEADMP CN1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)Cc2ccccc21 ZINC000904338153 635562718 /nfs/dbraw/zinc/56/27/18/635562718.db2.gz NPONCQAZQJYGAF-KRWDZBQOSA-N 2 1 273.424 2.328 20 0 CEADMP C[C@]1(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC[NH2+]C1 ZINC000904328159 635573507 /nfs/dbraw/zinc/57/35/07/635573507.db2.gz MDOUEKQDQPVBNF-NXHRZFHOSA-N 2 1 291.483 2.325 20 0 CEADMP C[C@]1(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CCC[NH2+]C1 ZINC000904328159 635573510 /nfs/dbraw/zinc/57/35/10/635573510.db2.gz MDOUEKQDQPVBNF-NXHRZFHOSA-N 2 1 291.483 2.325 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CCC[NH2+]C1 ZINC000904328159 635573513 /nfs/dbraw/zinc/57/35/13/635573513.db2.gz MDOUEKQDQPVBNF-NXHRZFHOSA-N 2 1 291.483 2.325 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000904350027 635584504 /nfs/dbraw/zinc/58/45/04/635584504.db2.gz GDACTPHLEQKITN-HOTGVXAUSA-N 3 1 281.488 2.462 20 0 CEADMP c1cn(C2CC2)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000904350901 635584596 /nfs/dbraw/zinc/58/45/96/635584596.db2.gz SBGYVFNDOQZDJO-LSDHHAIUSA-N 2 1 288.439 2.430 20 0 CEADMP c1cn(C2CC2)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000904350898 635584617 /nfs/dbraw/zinc/58/46/17/635584617.db2.gz SBGYVFNDOQZDJO-CABCVRRESA-N 2 1 288.439 2.430 20 0 CEADMP c1cc2c(cc1C[N@@H+]1CC[C@H]3[NH2+]CC[C@H]3C1)CCCO2 ZINC000904351096 635585683 /nfs/dbraw/zinc/58/56/83/635585683.db2.gz UWFDUVUFVGBDAA-JKSUJKDBSA-N 2 1 272.392 2.195 20 0 CEADMP c1cc2c(cc1C[N@H+]1CC[C@H]3[NH2+]CC[C@H]3C1)CCCO2 ZINC000904351096 635585688 /nfs/dbraw/zinc/58/56/88/635585688.db2.gz UWFDUVUFVGBDAA-JKSUJKDBSA-N 2 1 272.392 2.195 20 0 CEADMP CN(C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]1CCC[N@H+]1C ZINC000904372720 635594442 /nfs/dbraw/zinc/59/44/42/635594442.db2.gz HRYBGWLFIDIEAM-UONOGXRCSA-N 2 1 255.450 2.166 20 0 CEADMP C[C@@]1(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CCC[NH2+]C1 ZINC000904379282 635602764 /nfs/dbraw/zinc/60/27/64/635602764.db2.gz SHCBAHNIBQAWMO-ZACQAIPSSA-N 2 1 278.440 2.269 20 0 CEADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]([NH3+])C2)C1)C1CCCC1 ZINC000904384689 635606893 /nfs/dbraw/zinc/60/68/93/635606893.db2.gz MCUUTIWAZSTQIH-DIECFANBSA-N 3 1 279.472 2.343 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@]3(CCc4ccccc43)C2)C1 ZINC000904384331 635607251 /nfs/dbraw/zinc/60/72/51/635607251.db2.gz ISRQYJQTKMDRKP-UKPHBRMFSA-N 2 1 256.393 2.314 20 0 CEADMP CCOC(=O)[C@H](CCCC(C)C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904385985 635608485 /nfs/dbraw/zinc/60/84/85/635608485.db2.gz MCGMPGPFUAFZLJ-MJBXVCDLSA-N 2 1 270.417 2.071 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1OC ZINC000904410249 635617072 /nfs/dbraw/zinc/61/70/72/635617072.db2.gz DJTANPLECOVFDT-UONOGXRCSA-N 2 1 292.423 2.429 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904410548 635617098 /nfs/dbraw/zinc/61/70/98/635617098.db2.gz HICPUUAMZWZPGG-OCCSQVGLSA-N 2 1 275.396 2.062 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)n2c1 ZINC000904412196 635619933 /nfs/dbraw/zinc/61/99/33/635619933.db2.gz SAOCADCTXLBHCX-UONOGXRCSA-N 2 1 272.396 2.059 20 0 CEADMP COc1nc2ccccc2cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420760 635631072 /nfs/dbraw/zinc/63/10/72/635631072.db2.gz WLBFEFAWNDHRIZ-GOEBONIOSA-N 2 1 297.402 2.285 20 0 CEADMP COc1nc2ccccc2cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420760 635631075 /nfs/dbraw/zinc/63/10/75/635631075.db2.gz WLBFEFAWNDHRIZ-GOEBONIOSA-N 2 1 297.402 2.285 20 0 CEADMP COc1cc(C[NH2+]CC2([NH3+])CC2)ccc1OC(C)C ZINC000904449175 635640276 /nfs/dbraw/zinc/64/02/76/635640276.db2.gz FSOQZZPENAENIU-UHFFFAOYSA-N 2 1 264.369 2.063 20 0 CEADMP CC1(C)C[NH2+]C[C@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000904460555 635644467 /nfs/dbraw/zinc/64/44/67/635644467.db2.gz AASBKPRUEOGQEQ-IUODEOHRSA-N 2 1 260.381 2.140 20 0 CEADMP CC1(C)C[NH2+]C[C@@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000904460595 635644700 /nfs/dbraw/zinc/64/47/00/635644700.db2.gz AJSRYNUDVBHWPV-INIZCTEOSA-N 2 1 274.408 2.142 20 0 CEADMP CC1(C)C[NH2+]C[C@@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000904460553 635644910 /nfs/dbraw/zinc/64/49/10/635644910.db2.gz AASBKPRUEOGQEQ-DOMZBBRYSA-N 2 1 260.381 2.140 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1C[NH3+] ZINC000904664434 635701977 /nfs/dbraw/zinc/70/19/77/635701977.db2.gz GOIXTUVQCAAGNC-ZDUSSCGKSA-N 2 1 290.411 2.141 20 0 CEADMP Cc1ncc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1C ZINC000825762882 635710416 /nfs/dbraw/zinc/71/04/16/635710416.db2.gz VHJWWKRHUOSUEE-UHFFFAOYSA-N 2 1 276.428 2.036 20 0 CEADMP CC[C@@](O)(C[NH2+]C[C@H](C)Cn1cc[nH+]c1C)C(F)(F)F ZINC000905056356 635803560 /nfs/dbraw/zinc/80/35/60/635803560.db2.gz YKCIQZOXFGARLZ-CMPLNLGQSA-N 2 1 293.333 2.121 20 0 CEADMP CC(C)[NH2+]Cc1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000905057012 635804755 /nfs/dbraw/zinc/80/47/55/635804755.db2.gz GOMQNMXCLZQVIP-KRWDZBQOSA-N 2 1 299.422 2.223 20 0 CEADMP Cc1nc(N2CCC[C@H]([NH3+])C2)cc(Nc2ccccc2)[nH+]1 ZINC000905621767 636349025 /nfs/dbraw/zinc/34/90/25/636349025.db2.gz DLJDCJWAFVXPFU-ZDUSSCGKSA-N 2 1 283.379 2.456 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000905666360 636374624 /nfs/dbraw/zinc/37/46/24/636374624.db2.gz JPYNSQBWFIERNV-BRSBDYLESA-N 2 1 288.435 2.258 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000905666360 636374630 /nfs/dbraw/zinc/37/46/30/636374630.db2.gz JPYNSQBWFIERNV-BRSBDYLESA-N 2 1 288.435 2.258 20 0 CEADMP C[N@@H+](CCNC(=O)CCCCCC[NH3+])C1CCCCC1 ZINC000827738675 636408765 /nfs/dbraw/zinc/40/87/65/636408765.db2.gz OAALCYVQJQYQHP-UHFFFAOYSA-N 2 1 283.460 2.276 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827813643 636431912 /nfs/dbraw/zinc/43/19/12/636431912.db2.gz XFAZHMZGCNQCMR-QWRGUYRKSA-N 2 1 265.228 2.454 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827813643 636431916 /nfs/dbraw/zinc/43/19/16/636431916.db2.gz XFAZHMZGCNQCMR-QWRGUYRKSA-N 2 1 265.228 2.454 20 0 CEADMP CC[C@](O)(C[NH2+]CCC[NH+]1CCC(C)CC1)C(F)(F)F ZINC000905889586 636513561 /nfs/dbraw/zinc/51/35/61/636513561.db2.gz MKVPRXKDHSGNEY-ZDUSSCGKSA-N 2 1 296.377 2.401 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000906105096 636603774 /nfs/dbraw/zinc/60/37/74/636603774.db2.gz WLNZOVYGMMXGGI-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCn1cc[nH+]c1C(C)C ZINC000828966044 636739332 /nfs/dbraw/zinc/73/93/32/636739332.db2.gz VEONTEMEYVAVCO-ZDUSSCGKSA-N 2 1 294.443 2.147 20 0 CEADMP Cc1cccc(C2([NH2+]C[C@@H](O)C[NH+]3CCCC3)CCC2)c1 ZINC000829865134 636946328 /nfs/dbraw/zinc/94/63/28/636946328.db2.gz GQUGPPBRPBEEIJ-QGZVFWFLSA-N 2 1 288.435 2.421 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000907430931 637022153 /nfs/dbraw/zinc/02/21/53/637022153.db2.gz CKQMQWUGHPXDOC-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)C[C@]1(C)CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000830798307 637164628 /nfs/dbraw/zinc/16/46/28/637164628.db2.gz HFWSZLHJXDKJPM-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)C[C@]1(C)CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000830798307 637164635 /nfs/dbraw/zinc/16/46/35/637164635.db2.gz HFWSZLHJXDKJPM-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP C[N@@H+]1CC[C@H](C(=O)Nc2c[nH+]ccc2Nc2ccccc2)C1 ZINC000911738575 638387159 /nfs/dbraw/zinc/38/71/59/638387159.db2.gz DWVALOPFQVWEGM-ZDUSSCGKSA-N 2 1 296.374 2.137 20 0 CEADMP C[N@H+]1CC[C@H](C(=O)Nc2c[nH+]ccc2Nc2ccccc2)C1 ZINC000911738575 638387166 /nfs/dbraw/zinc/38/71/66/638387166.db2.gz DWVALOPFQVWEGM-ZDUSSCGKSA-N 2 1 296.374 2.137 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000911789353 638412723 /nfs/dbraw/zinc/41/27/23/638412723.db2.gz HSIUEYYGODXWED-INIZCTEOSA-N 2 1 287.407 2.144 20 0 CEADMP CCCOc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000876818386 650445934 /nfs/dbraw/zinc/44/59/34/650445934.db2.gz TXMBIXWKYKGECM-HZPDHXFCSA-N 2 1 274.408 2.435 20 0 CEADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924851487 639059509 /nfs/dbraw/zinc/05/95/09/639059509.db2.gz FKBSYCKQRZWHSO-GJZGRUSLSA-N 2 1 297.487 2.390 20 0 CEADMP ClC1(Cl)C[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000876939597 650496283 /nfs/dbraw/zinc/49/62/83/650496283.db2.gz ISTOQXIHKSMOKU-MXWKQRLJSA-N 2 1 263.212 2.397 20 0 CEADMP C[NH+]1CCC([NH2+]CCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000226318397 639537518 /nfs/dbraw/zinc/53/75/18/639537518.db2.gz GEDGLEAOOCHFKY-UHFFFAOYSA-N 2 1 297.443 2.070 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(CO)c2)c2ccccc21 ZINC000227456140 639591748 /nfs/dbraw/zinc/59/17/48/639591748.db2.gz GEGMWEXKXHWDLS-IRXDYDNUSA-N 2 1 268.360 2.413 20 0 CEADMP Cc1noc(C)c1C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000841006961 639615963 /nfs/dbraw/zinc/61/59/63/639615963.db2.gz JCHIIQZVDHCVJX-MFKMUULPSA-N 2 1 251.374 2.111 20 0 CEADMP COc1c(C)cc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1C ZINC000841029406 639621798 /nfs/dbraw/zinc/62/17/98/639621798.db2.gz OOBZHYPPDIHBTG-AWEZNQCLSA-N 2 1 250.386 2.385 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000841039023 639628703 /nfs/dbraw/zinc/62/87/03/639628703.db2.gz XJFFPJRKVVKVHM-OAHLLOKOSA-N 2 1 289.423 2.059 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccnc3Cl)C[C@H]21 ZINC000228474714 639636788 /nfs/dbraw/zinc/63/67/88/639636788.db2.gz WBEPJXNNIMOOPA-CYZMBNFOSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccnc3Cl)C[C@H]21 ZINC000228474714 639636791 /nfs/dbraw/zinc/63/67/91/639636791.db2.gz WBEPJXNNIMOOPA-CYZMBNFOSA-N 2 1 265.788 2.294 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cnc1Cl ZINC000841061430 639638277 /nfs/dbraw/zinc/63/82/77/639638277.db2.gz IWJJWAFPKPXQQL-ZYHUDNBSSA-N 2 1 253.777 2.274 20 0 CEADMP Cc1ncc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000841089196 639653323 /nfs/dbraw/zinc/65/33/23/639653323.db2.gz IRGACMDPPMXUTQ-NSHDSACASA-N 2 1 251.399 2.216 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1C[NH3+] ZINC000841101160 639656293 /nfs/dbraw/zinc/65/62/93/639656293.db2.gz QFQVEFPQRZXWSH-BLLLJJGKSA-N 2 1 260.381 2.134 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(Cl)n3)C[C@@H]21 ZINC000230048623 639730122 /nfs/dbraw/zinc/73/01/22/639730122.db2.gz DTXNUECGXQUIQB-KGYLQXTDSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(Cl)n3)C[C@@H]21 ZINC000230048623 639730123 /nfs/dbraw/zinc/73/01/23/639730123.db2.gz DTXNUECGXQUIQB-KGYLQXTDSA-N 2 1 265.788 2.294 20 0 CEADMP C[C@@]1(CN2CCC(C[NH+]3CCCC3)CC2)CCC[NH2+]C1 ZINC000062868065 639791095 /nfs/dbraw/zinc/79/10/95/639791095.db2.gz WTJKYHFIGNZLJG-QGZVFWFLSA-N 2 1 279.472 2.184 20 0 CEADMP C[N@@H+](C[C@H](O)CC1CCCC1)C1CCC([NH3+])CC1 ZINC000232121734 639899408 /nfs/dbraw/zinc/89/94/08/639899408.db2.gz DUMQIUCRWJMLGG-YMAMQOFZSA-N 2 1 254.418 2.129 20 0 CEADMP CC[C@H](CO)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000929647293 640007710 /nfs/dbraw/zinc/00/77/10/640007710.db2.gz PYVQIHDTLIDNAV-OWCLPIDISA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H](CO)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000929647293 640007712 /nfs/dbraw/zinc/00/77/12/640007712.db2.gz PYVQIHDTLIDNAV-OWCLPIDISA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H](CO)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000929647293 640007717 /nfs/dbraw/zinc/00/77/17/640007717.db2.gz PYVQIHDTLIDNAV-OWCLPIDISA-N 2 1 268.445 2.344 20 0 CEADMP COC[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C(C)C ZINC000929704669 640025721 /nfs/dbraw/zinc/02/57/21/640025721.db2.gz ZKWZKDMTLUYRHF-LSDHHAIUSA-N 2 1 256.434 2.179 20 0 CEADMP COC[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000929704669 640025724 /nfs/dbraw/zinc/02/57/24/640025724.db2.gz ZKWZKDMTLUYRHF-LSDHHAIUSA-N 2 1 256.434 2.179 20 0 CEADMP COC[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000929704669 640025728 /nfs/dbraw/zinc/02/57/28/640025728.db2.gz ZKWZKDMTLUYRHF-LSDHHAIUSA-N 2 1 256.434 2.179 20 0 CEADMP CCCCCC[N@H+](C)Cc1nc(C[C@@H](C)[NH2+]C)no1 ZINC000842632515 640127621 /nfs/dbraw/zinc/12/76/21/640127621.db2.gz ZUPSXLDHNUKKFT-GFCCVEGCSA-N 2 1 268.405 2.232 20 0 CEADMP CCCCCC[N@@H+](C)Cc1nc(C[C@@H](C)[NH2+]C)no1 ZINC000842632515 640127629 /nfs/dbraw/zinc/12/76/29/640127629.db2.gz ZUPSXLDHNUKKFT-GFCCVEGCSA-N 2 1 268.405 2.232 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000877073767 650559766 /nfs/dbraw/zinc/55/97/66/650559766.db2.gz RWOYBUWGQCOJRI-OLZOCXBDSA-N 2 1 299.365 2.206 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843044537 640250299 /nfs/dbraw/zinc/25/02/99/640250299.db2.gz HFFUHJLJDVPCND-CQSZACIVSA-N 2 1 260.381 2.148 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843044537 640250305 /nfs/dbraw/zinc/25/03/05/640250305.db2.gz HFFUHJLJDVPCND-CQSZACIVSA-N 2 1 260.381 2.148 20 0 CEADMP Cc1ccc(N2CCC[N@H+](CC(C)(C)[NH3+])CC2)cc1 ZINC000843060180 640262323 /nfs/dbraw/zinc/26/23/23/640262323.db2.gz XAEQDJMEHKDGCN-UHFFFAOYSA-N 2 1 261.413 2.244 20 0 CEADMP Cc1ccc(N2CCC[N@@H+](CC(C)(C)[NH3+])CC2)cc1 ZINC000843060180 640262328 /nfs/dbraw/zinc/26/23/28/640262328.db2.gz XAEQDJMEHKDGCN-UHFFFAOYSA-N 2 1 261.413 2.244 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CCCCCC[NH3+] ZINC000843127082 640293641 /nfs/dbraw/zinc/29/36/41/640293641.db2.gz NCHORQZTGYTTHH-UHFFFAOYSA-N 2 1 287.411 2.184 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(SC(F)F)cc1 ZINC000843358210 640402298 /nfs/dbraw/zinc/40/22/98/640402298.db2.gz DCRLZYXATZPIDM-UHFFFAOYSA-N 2 1 290.379 2.408 20 0 CEADMP CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843386092 640413880 /nfs/dbraw/zinc/41/38/80/640413880.db2.gz BXUNYCQDJYMSGQ-ARFHVFGLSA-N 2 1 296.455 2.430 20 0 CEADMP CCCCCC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000843389458 640415169 /nfs/dbraw/zinc/41/51/69/640415169.db2.gz VXPRSFWRVJKFCO-CQSZACIVSA-N 2 1 254.418 2.254 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000844196336 640629312 /nfs/dbraw/zinc/62/93/12/640629312.db2.gz ICRQMDZPIBBZTM-HNNXBMFYSA-N 2 1 283.460 2.228 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993927311 640685591 /nfs/dbraw/zinc/68/55/91/640685591.db2.gz LJJPMSNGDDNGJP-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994133967 640695260 /nfs/dbraw/zinc/69/52/60/640695260.db2.gz NQBHTRKYBOCWHM-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCO1 ZINC000844901627 640860395 /nfs/dbraw/zinc/86/03/95/640860395.db2.gz JAHKBCCQWDXMGL-JONQDZQNSA-N 2 1 266.429 2.252 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925471915 641079178 /nfs/dbraw/zinc/07/91/78/641079178.db2.gz DNBQFWFYUCNVKP-IRXDYDNUSA-N 3 1 290.455 2.340 20 0 CEADMP C[C@H]1C[N@H+](CCCCCC[NH3+])C[C@H](C(F)(F)F)O1 ZINC000846219209 641227445 /nfs/dbraw/zinc/22/74/45/641227445.db2.gz KKMFCWNXOYJIJE-WDEREUQCSA-N 2 1 268.323 2.157 20 0 CEADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])C[C@H](C(F)(F)F)O1 ZINC000846219209 641227451 /nfs/dbraw/zinc/22/74/51/641227451.db2.gz KKMFCWNXOYJIJE-WDEREUQCSA-N 2 1 268.323 2.157 20 0 CEADMP Cn1nccc1[C@@H]1CCCC[N@H+]1CCCCCC[NH3+] ZINC000846224388 641233293 /nfs/dbraw/zinc/23/32/93/641233293.db2.gz WGAAVLPTVHDLSX-HNNXBMFYSA-N 2 1 264.417 2.466 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846691590 641395737 /nfs/dbraw/zinc/39/57/37/641395737.db2.gz XRQYIWBIYAZOND-RDJZCZTQSA-N 2 1 295.471 2.086 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](CCc1ccccc1)C1CC1 ZINC000846782477 641423362 /nfs/dbraw/zinc/42/33/62/641423362.db2.gz PZEMRSLOXFYSML-QGZVFWFLSA-N 2 1 276.424 2.006 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CCc1ccccc1)C1CC1 ZINC000846782477 641423366 /nfs/dbraw/zinc/42/33/66/641423366.db2.gz PZEMRSLOXFYSML-QGZVFWFLSA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](CCc1ccccc1)C1CC1 ZINC000846782477 641423369 /nfs/dbraw/zinc/42/33/69/641423369.db2.gz PZEMRSLOXFYSML-QGZVFWFLSA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CCc1ccccc1)C1CC1 ZINC000846782477 641423373 /nfs/dbraw/zinc/42/33/73/641423373.db2.gz PZEMRSLOXFYSML-QGZVFWFLSA-N 2 1 276.424 2.006 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3nonc3c2)[C@@H](C)C1 ZINC000846828340 641442306 /nfs/dbraw/zinc/44/23/06/641442306.db2.gz KLDYRWCMJSJIRQ-BLLLJJGKSA-N 2 1 288.395 2.385 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3nonc3c2)[C@@H](C)C1 ZINC000846828340 641442311 /nfs/dbraw/zinc/44/23/11/641442311.db2.gz KLDYRWCMJSJIRQ-BLLLJJGKSA-N 2 1 288.395 2.385 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3nonc3c2)[C@@H](C)C1 ZINC000846828340 641442314 /nfs/dbraw/zinc/44/23/14/641442314.db2.gz KLDYRWCMJSJIRQ-BLLLJJGKSA-N 2 1 288.395 2.385 20 0 CEADMP [NH2+]=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC1 ZINC000848981493 642204284 /nfs/dbraw/zinc/20/42/84/642204284.db2.gz GEBTYOHGQCENRW-GFCCVEGCSA-N 2 1 278.425 2.115 20 0 CEADMP c1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)n(C2CCC2)n1 ZINC000921527872 642207088 /nfs/dbraw/zinc/20/70/88/642207088.db2.gz PHBUHVDCNZRHKX-CYBMUJFWSA-N 2 1 274.412 2.182 20 0 CEADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)n(C2CCC2)n1 ZINC000921527872 642207092 /nfs/dbraw/zinc/20/70/92/642207092.db2.gz PHBUHVDCNZRHKX-CYBMUJFWSA-N 2 1 274.412 2.182 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000848996053 642216131 /nfs/dbraw/zinc/21/61/31/642216131.db2.gz AWVVCCXVESOGNP-AWEZNQCLSA-N 2 1 266.433 2.117 20 0 CEADMP COc1ccc(NC(=[NH2+])NC[C@@H](C)[NH+](C)C)cc1Cl ZINC000848996675 642217007 /nfs/dbraw/zinc/21/70/07/642217007.db2.gz OYZCYCIFVONNTF-SECBINFHSA-N 2 1 284.791 2.235 20 0 CEADMP Cc1ccc(CNC(=[NH2+])NC[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000849001730 642220317 /nfs/dbraw/zinc/22/03/17/642220317.db2.gz VRSJQUVIDRCCAL-CYBMUJFWSA-N 2 1 274.412 2.092 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccs1 ZINC000849028023 642240820 /nfs/dbraw/zinc/24/08/20/642240820.db2.gz XWSBDOXVNMQJCP-ZDUSSCGKSA-N 2 1 294.468 2.279 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921583735 642250281 /nfs/dbraw/zinc/25/02/81/642250281.db2.gz ZKICPLPOESWOMK-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921583735 642250287 /nfs/dbraw/zinc/25/02/87/642250287.db2.gz ZKICPLPOESWOMK-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP COc1cccc(NC(=[NH2+])NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000849041137 642251736 /nfs/dbraw/zinc/25/17/36/642251736.db2.gz LEIAEMFXXJFCFI-ZDUSSCGKSA-N 2 1 290.411 2.363 20 0 CEADMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])NC2CCCCC2)C1 ZINC000849041663 642252394 /nfs/dbraw/zinc/25/23/94/642252394.db2.gz VCUQQCYUUDZWAO-ZDUSSCGKSA-N 2 1 266.433 2.165 20 0 CEADMP CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997588537 642310768 /nfs/dbraw/zinc/31/07/68/642310768.db2.gz XJDAENZGXJIEAZ-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH2+]C1CC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998901612 642447930 /nfs/dbraw/zinc/44/79/30/642447930.db2.gz PHBPVPUKLDBVPB-PCKAHOCUSA-N 2 1 295.471 2.237 20 0 CEADMP CN(Cc1cnc2c(cnn2C)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000877519015 650762533 /nfs/dbraw/zinc/76/25/33/650762533.db2.gz WGPQTRKYZHWJIQ-XYPWUTKMSA-N 2 1 299.422 2.025 20 0 CEADMP Cn1ncc2cc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cnc21 ZINC000877519015 650762535 /nfs/dbraw/zinc/76/25/35/650762535.db2.gz WGPQTRKYZHWJIQ-XYPWUTKMSA-N 2 1 299.422 2.025 20 0 CEADMP Cn1ncc2cc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cnc21 ZINC000877519015 650762537 /nfs/dbraw/zinc/76/25/37/650762537.db2.gz WGPQTRKYZHWJIQ-XYPWUTKMSA-N 2 1 299.422 2.025 20 0 CEADMP Cn1ncc2cc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cnc21 ZINC000877519015 650762540 /nfs/dbraw/zinc/76/25/40/650762540.db2.gz WGPQTRKYZHWJIQ-XYPWUTKMSA-N 2 1 299.422 2.025 20 0 CEADMP Cn1ncc2cc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cnc21 ZINC000877519015 650762544 /nfs/dbraw/zinc/76/25/44/650762544.db2.gz WGPQTRKYZHWJIQ-XYPWUTKMSA-N 2 1 299.422 2.025 20 0 CEADMP CC[N@@H+](CCNCc1ccnn1-c1cc[nH+]cc1)C(C)C ZINC000850113601 642584611 /nfs/dbraw/zinc/58/46/11/642584611.db2.gz OASDYZYSOXEKEL-UHFFFAOYSA-N 2 1 287.411 2.087 20 0 CEADMP CSC(C)(C)CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000877528017 650768615 /nfs/dbraw/zinc/76/86/15/650768615.db2.gz YNYVDBFWRIKLAD-UHFFFAOYSA-N 2 1 287.517 2.087 20 0 CEADMP COc1cncc(C[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC000850338001 642671501 /nfs/dbraw/zinc/67/15/01/642671501.db2.gz CDDYIUWGUFYZOR-UHFFFAOYSA-N 2 1 265.401 2.158 20 0 CEADMP COc1cncc(C[NH2+]CCC[N@@H+](C)CC(C)C)c1 ZINC000850338001 642671505 /nfs/dbraw/zinc/67/15/05/642671505.db2.gz CDDYIUWGUFYZOR-UHFFFAOYSA-N 2 1 265.401 2.158 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCn3nccc32)C1 ZINC000850439798 642713668 /nfs/dbraw/zinc/71/36/68/642713668.db2.gz OPPPSUSMCHFAPJ-MGPQQGTHSA-N 2 1 262.401 2.180 20 0 CEADMP CCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001001472721 642722890 /nfs/dbraw/zinc/72/28/90/642722890.db2.gz VBGOSORFTHEJHK-MRXNPFEDSA-N 2 1 293.455 2.019 20 0 CEADMP CCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001001472721 642722893 /nfs/dbraw/zinc/72/28/93/642722893.db2.gz VBGOSORFTHEJHK-MRXNPFEDSA-N 2 1 293.455 2.019 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2SCCS2)[C@@H](C)C1 ZINC000850560405 642752804 /nfs/dbraw/zinc/75/28/04/642752804.db2.gz DRVHGRNFGJQMHR-QWRGUYRKSA-N 2 1 260.472 2.112 20 0 CEADMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(C)c1 ZINC000921969440 642818033 /nfs/dbraw/zinc/81/80/33/642818033.db2.gz WJNXEUILGYFPDR-UHFFFAOYSA-N 2 1 260.381 2.355 20 0 CEADMP CC(C)CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003167642 642918985 /nfs/dbraw/zinc/91/89/85/642918985.db2.gz OGDWCQVRDWXYBP-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000109939486 642996874 /nfs/dbraw/zinc/99/68/74/642996874.db2.gz XNUGNNWNWAIWRS-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000929298151 643054855 /nfs/dbraw/zinc/05/48/55/643054855.db2.gz UTAATYUELHOOBJ-QGZVFWFLSA-N 2 1 298.471 2.236 20 0 CEADMP COC(CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000851926740 643228939 /nfs/dbraw/zinc/22/89/39/643228939.db2.gz WQXLFFDHCYJJAW-UONOGXRCSA-N 2 1 284.444 2.238 20 0 CEADMP CCCn1ccnc1CCC[N@@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851985691 643253374 /nfs/dbraw/zinc/25/33/74/643253374.db2.gz POIBLAJNLWSKSD-CQSZACIVSA-N 2 1 295.427 2.309 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851985691 643253380 /nfs/dbraw/zinc/25/33/80/643253380.db2.gz POIBLAJNLWSKSD-CQSZACIVSA-N 2 1 295.427 2.309 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851985691 643253388 /nfs/dbraw/zinc/25/33/88/643253388.db2.gz POIBLAJNLWSKSD-CQSZACIVSA-N 2 1 295.427 2.309 20 0 CEADMP C[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCO1 ZINC000922818772 643281707 /nfs/dbraw/zinc/28/17/07/643281707.db2.gz YTGICJBZEYXJAK-SOUVJXGZSA-N 2 1 252.402 2.162 20 0 CEADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)c1ccc(F)cc1)C2 ZINC000852109183 643312191 /nfs/dbraw/zinc/31/21/91/643312191.db2.gz XMUMNFINWRFTOE-DLBZAZTESA-N 2 1 292.398 2.277 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)c1ccc(F)cc1)C2 ZINC000852109183 643312197 /nfs/dbraw/zinc/31/21/97/643312197.db2.gz XMUMNFINWRFTOE-DLBZAZTESA-N 2 1 292.398 2.277 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)c1ccc(F)cc1)C2 ZINC000852109183 643312201 /nfs/dbraw/zinc/31/22/01/643312201.db2.gz XMUMNFINWRFTOE-DLBZAZTESA-N 2 1 292.398 2.277 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)c1ccc(F)cc1)C2 ZINC000852109183 643312210 /nfs/dbraw/zinc/31/22/10/643312210.db2.gz XMUMNFINWRFTOE-DLBZAZTESA-N 2 1 292.398 2.277 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CC1(SC)CC1 ZINC000877664300 650839839 /nfs/dbraw/zinc/83/98/39/650839839.db2.gz MJEWTPHCVPGCSW-UHFFFAOYSA-N 2 1 286.485 2.172 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC1SCCS1 ZINC000853023498 643625808 /nfs/dbraw/zinc/62/58/08/643625808.db2.gz ZBNDAOULRLUJAM-NSHDSACASA-N 2 1 262.488 2.488 20 0 CEADMP C(CN1CCC([NH2+]CC2CC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923291249 643638317 /nfs/dbraw/zinc/63/83/17/643638317.db2.gz CJXJCDODNBYDKI-ZNXRZULTSA-N 2 1 291.483 2.371 20 0 CEADMP c1ccc(C[C@H]2CCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923300111 643645216 /nfs/dbraw/zinc/64/52/16/643645216.db2.gz ACDMIUSRVAOHFO-SJORKVTESA-N 2 1 286.419 2.072 20 0 CEADMP c1csc([C@@H]2CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923299767 643645513 /nfs/dbraw/zinc/64/55/13/643645513.db2.gz ZDOGXGJRADCHSD-OLZOCXBDSA-N 2 1 278.421 2.264 20 0 CEADMP Cc1ccccc1OC[C@H](O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000923296097 643647334 /nfs/dbraw/zinc/64/73/34/643647334.db2.gz CAUBOZGWNHBGOU-HZPDHXFCSA-N 2 1 294.439 2.040 20 0 CEADMP CCC(CC)C[N@@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307702 643649557 /nfs/dbraw/zinc/64/95/57/643649557.db2.gz WWXUHYQTUQYOAP-CQSZACIVSA-N 2 1 254.418 2.123 20 0 CEADMP CCCCC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C(C)C ZINC000923303831 643651947 /nfs/dbraw/zinc/65/19/47/643651947.db2.gz RFEXVCROHYHFPC-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+](Cc1ccc(F)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306576 643652234 /nfs/dbraw/zinc/65/22/34/643652234.db2.gz NFDOISLSEZGZDI-MRXNPFEDSA-N 2 1 292.398 2.416 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccccn2)c1 ZINC000853098375 643652391 /nfs/dbraw/zinc/65/23/91/643652391.db2.gz IKQABRHZADXZEW-GOSISDBHSA-N 2 1 299.418 2.357 20 0 CEADMP CC[C@@H]1CCCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316712 643656002 /nfs/dbraw/zinc/65/60/02/643656002.db2.gz RLZSDGJZXWQHAL-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP C(C1CC1)[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCCCC1 ZINC000923312008 643658675 /nfs/dbraw/zinc/65/86/75/643658675.db2.gz GCCQVEMABNUKNV-MRXNPFEDSA-N 2 1 278.440 2.410 20 0 CEADMP C[N@H+](C[C@@H](O)c1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923326981 643664720 /nfs/dbraw/zinc/66/47/20/643664720.db2.gz ALBATVDQPSOWHH-TUURBPCVSA-N 2 1 296.361 2.213 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923326981 643664723 /nfs/dbraw/zinc/66/47/23/643664723.db2.gz ALBATVDQPSOWHH-TUURBPCVSA-N 2 1 296.361 2.213 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000923348971 643672475 /nfs/dbraw/zinc/67/24/75/643672475.db2.gz MHJHPZNNQBQZHT-ZBFHGGJFSA-N 2 1 262.397 2.089 20 0 CEADMP CCc1ncc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)o1 ZINC000923364540 643679326 /nfs/dbraw/zinc/67/93/26/643679326.db2.gz NRVZJXIVJMJVMT-JSGCOSHPSA-N 2 1 263.385 2.201 20 0 CEADMP CCc1ncc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)o1 ZINC000923364540 643679328 /nfs/dbraw/zinc/67/93/28/643679328.db2.gz NRVZJXIVJMJVMT-JSGCOSHPSA-N 2 1 263.385 2.201 20 0 CEADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000923367210 643682174 /nfs/dbraw/zinc/68/21/74/643682174.db2.gz CUCITEYVTHKTAS-ZBFHGGJFSA-N 2 1 294.439 2.006 20 0 CEADMP CC1(C)C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)Cc2ccccc21 ZINC000923370084 643683312 /nfs/dbraw/zinc/68/33/12/643683312.db2.gz BCZRZHGTEMXJPP-OAHLLOKOSA-N 2 1 286.419 2.158 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923362217 643684410 /nfs/dbraw/zinc/68/44/10/643684410.db2.gz MAVONVHXWCNCCU-GVDBMIGSSA-N 2 1 280.456 2.249 20 0 CEADMP c1ccc(O[C@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)cc1 ZINC000923385250 643687212 /nfs/dbraw/zinc/68/72/12/643687212.db2.gz YOUYHYZTZFPTJU-INIZCTEOSA-N 2 1 260.381 2.282 20 0 CEADMP c1ccc(O[C@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)cc1 ZINC000923385250 643687213 /nfs/dbraw/zinc/68/72/13/643687213.db2.gz YOUYHYZTZFPTJU-INIZCTEOSA-N 2 1 260.381 2.282 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2F)[C@@H]1CC[NH3+] ZINC000923386277 643691279 /nfs/dbraw/zinc/69/12/79/643691279.db2.gz JBLFZPFONBWUCY-LYRGGWFBSA-N 2 1 298.377 2.448 20 0 CEADMP Cc1noc([C@@H](C)[N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923387565 643692478 /nfs/dbraw/zinc/69/24/78/643692478.db2.gz MCCRZEIZEXSBGU-NDNKKMJESA-N 2 1 278.400 2.292 20 0 CEADMP Cc1noc([C@@H](C)[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923387565 643692481 /nfs/dbraw/zinc/69/24/81/643692481.db2.gz MCCRZEIZEXSBGU-NDNKKMJESA-N 2 1 278.400 2.292 20 0 CEADMP C(C[NH2+]C1CC1)C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000923396562 643696046 /nfs/dbraw/zinc/69/60/46/643696046.db2.gz FGLVIDPVSCBUAC-IYBDPMFKSA-N 2 1 264.413 2.021 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C[C@@H]1C[NH3+] ZINC000923413232 643700797 /nfs/dbraw/zinc/70/07/97/643700797.db2.gz VCJTYAUOYAZRPG-ISTVAULSSA-N 2 1 286.778 2.039 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C[C@@H]1C[NH3+] ZINC000923413232 643700799 /nfs/dbraw/zinc/70/07/99/643700799.db2.gz VCJTYAUOYAZRPG-ISTVAULSSA-N 2 1 286.778 2.039 20 0 CEADMP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923425100 643705155 /nfs/dbraw/zinc/70/51/55/643705155.db2.gz FFQZHUQMPOMMSW-ZQIUZPCESA-N 2 1 284.403 2.299 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426409 643706493 /nfs/dbraw/zinc/70/64/93/643706493.db2.gz CYEUJSMADFADMY-SJORKVTESA-N 2 1 280.456 2.393 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000923431349 643710303 /nfs/dbraw/zinc/71/03/03/643710303.db2.gz PLBSKWMIJCRDFD-KFWWJZLASA-N 2 1 256.434 2.234 20 0 CEADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000923487456 643730189 /nfs/dbraw/zinc/73/01/89/643730189.db2.gz LUYULQGVRUVSAL-HUUCEWRRSA-N 2 1 289.423 2.301 20 0 CEADMP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923485939 643732615 /nfs/dbraw/zinc/73/26/15/643732615.db2.gz ZIUZQVBSJGEERF-ZIAGYGMSSA-N 2 1 289.423 2.247 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000923485217 643733384 /nfs/dbraw/zinc/73/33/84/643733384.db2.gz QPHSMSNTBGFXSV-LSDHHAIUSA-N 2 1 289.423 2.301 20 0 CEADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495622 643733921 /nfs/dbraw/zinc/73/39/21/643733921.db2.gz CZTVLBCCLWVBJB-QLFBSQMISA-N 2 1 295.471 2.083 20 0 CEADMP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923492048 643736390 /nfs/dbraw/zinc/73/63/90/643736390.db2.gz MVUYJLOYIOLKKA-HIFRSBDPSA-N 2 1 289.423 2.247 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923494195 643738029 /nfs/dbraw/zinc/73/80/29/643738029.db2.gz WGUMAOWCWUOTES-KKUMJFAQSA-N 2 1 256.434 2.234 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923502381 643738325 /nfs/dbraw/zinc/73/83/25/643738325.db2.gz WSUSZQOHSOZSTG-JSGCOSHPSA-N 2 1 272.396 2.059 20 0 CEADMP CCc1ccccc1NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923503239 643739153 /nfs/dbraw/zinc/73/91/53/643739153.db2.gz HZKCPHMASLNGEI-DZGCQCFKSA-N 2 1 289.423 2.104 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923501792 643741912 /nfs/dbraw/zinc/74/19/12/643741912.db2.gz VRCDCQOKHISZSB-JYJNAYRXSA-N 2 1 297.487 2.234 20 0 CEADMP Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923509248 643745380 /nfs/dbraw/zinc/74/53/80/643745380.db2.gz OHKILXQXSKXCRA-HUUCEWRRSA-N 2 1 289.423 2.159 20 0 CEADMP CCN(C(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)C1CCCCC1 ZINC000923510925 643746200 /nfs/dbraw/zinc/74/62/00/643746200.db2.gz YASHCXBXCRWJOL-LSDHHAIUSA-N 2 1 295.471 2.084 20 0 CEADMP C([C@@H]1CCC2(CCCC2)O1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516297 643746881 /nfs/dbraw/zinc/74/68/81/643746881.db2.gz YGAKHHIGUWGKRS-ZNMIVQPWSA-N 2 1 264.413 2.020 20 0 CEADMP Fc1cccc(F)c1CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521524 643749186 /nfs/dbraw/zinc/74/91/86/643749186.db2.gz NRSGVJORSMKVGT-QWHCGFSZSA-N 2 1 280.362 2.439 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000854228789 644017634 /nfs/dbraw/zinc/01/76/34/644017634.db2.gz CLTLJYWZAMEJBO-FXUDXRNXSA-N 2 1 260.381 2.414 20 0 CEADMP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000838889413 644071733 /nfs/dbraw/zinc/07/17/33/644071733.db2.gz FBBCXYTZQXNNQF-MRXNPFEDSA-N 2 1 296.361 2.215 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000838938273 644093331 /nfs/dbraw/zinc/09/33/31/644093331.db2.gz ASKZBVGUNUQSOQ-MLHJIOFPSA-N 2 1 286.419 2.243 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000838938273 644093336 /nfs/dbraw/zinc/09/33/36/644093336.db2.gz ASKZBVGUNUQSOQ-MLHJIOFPSA-N 2 1 286.419 2.243 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CCO1 ZINC000877743883 650891186 /nfs/dbraw/zinc/89/11/86/650891186.db2.gz YTOUHQHGKWRHNN-QXSJWSMHSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CCO1 ZINC000877743883 650891192 /nfs/dbraw/zinc/89/11/92/650891192.db2.gz YTOUHQHGKWRHNN-QXSJWSMHSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CCO1 ZINC000877743883 650891197 /nfs/dbraw/zinc/89/11/97/650891197.db2.gz YTOUHQHGKWRHNN-QXSJWSMHSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CCO1 ZINC000877743883 650891200 /nfs/dbraw/zinc/89/12/00/650891200.db2.gz YTOUHQHGKWRHNN-QXSJWSMHSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000839094686 644145731 /nfs/dbraw/zinc/14/57/31/644145731.db2.gz BEIXMJGUQANGIZ-CQSZACIVSA-N 2 1 284.444 2.286 20 0 CEADMP CC(C)C[N@H+](Cc1cc[nH]n1)CC1CC[NH+](C)CC1 ZINC000877767539 650903157 /nfs/dbraw/zinc/90/31/57/650903157.db2.gz MMIDGLCZSNHAQY-UHFFFAOYSA-N 2 1 264.417 2.210 20 0 CEADMP CCn1nncc1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767242 650903250 /nfs/dbraw/zinc/90/32/50/650903250.db2.gz DGBKOMYMBWNUIF-UHFFFAOYSA-N 2 1 293.459 2.098 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCSC(F)(F)F ZINC000886839249 644267489 /nfs/dbraw/zinc/26/74/89/644267489.db2.gz AAXMTIYILFMTCZ-HRDYMLBCSA-N 2 1 256.337 2.216 20 0 CEADMP COC(=O)/C(C)=C\C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754465513 644377831 /nfs/dbraw/zinc/37/78/31/644377831.db2.gz OZZPOBZDZAILNK-XZVYODRBSA-N 2 1 294.439 2.348 20 0 CEADMP c1ccc2c(c1)CCN2CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000754793304 644431301 /nfs/dbraw/zinc/43/13/01/644431301.db2.gz FQTLDADIDUQYMA-IAGOWNOFSA-N 2 1 285.435 2.266 20 0 CEADMP c1ccc([C@@H]2CCC[C@@H](C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)O2)cc1 ZINC000877982405 650966269 /nfs/dbraw/zinc/96/62/69/650966269.db2.gz RHTLWDWNMATKNF-MHORFTMASA-N 2 1 286.419 2.448 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000857867244 644988816 /nfs/dbraw/zinc/98/88/16/644988816.db2.gz XOZLXEVFYXLIAK-ZDUSSCGKSA-N 2 1 262.401 2.109 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2SCCS2)CC1(C)C ZINC000858194695 645086551 /nfs/dbraw/zinc/08/65/51/645086551.db2.gz KOSQYDUUUZLRLA-SNVBAGLBSA-N 2 1 260.472 2.255 20 0 CEADMP OCc1cc(NC[C@H]2CC[N@H+]2C2CCCC2)cc[nH+]1 ZINC000858781612 645256479 /nfs/dbraw/zinc/25/64/79/645256479.db2.gz UFEPMAAYAIYROP-OAHLLOKOSA-N 2 1 261.369 2.003 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC[N@@H+]1C ZINC000878163573 651019994 /nfs/dbraw/zinc/01/99/94/651019994.db2.gz USJOJODHYWZSGQ-DGADGQDISA-N 2 1 266.429 2.359 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC[N@H+]1C ZINC000878163573 651019996 /nfs/dbraw/zinc/01/99/96/651019996.db2.gz USJOJODHYWZSGQ-DGADGQDISA-N 2 1 266.429 2.359 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC[NH+]1C ZINC000878163573 651019998 /nfs/dbraw/zinc/01/99/98/651019998.db2.gz USJOJODHYWZSGQ-DGADGQDISA-N 2 1 266.429 2.359 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC[NH+]1C ZINC000878163573 651020000 /nfs/dbraw/zinc/02/00/00/651020000.db2.gz USJOJODHYWZSGQ-DGADGQDISA-N 2 1 266.429 2.359 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CC3(CCC3)CO2)CC1 ZINC000878164785 651021197 /nfs/dbraw/zinc/02/11/97/651021197.db2.gz NCUYWQQNHAIBHC-OAHLLOKOSA-N 2 1 266.429 2.362 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CC3(CCC3)CO2)CC1 ZINC000878164785 651021200 /nfs/dbraw/zinc/02/12/00/651021200.db2.gz NCUYWQQNHAIBHC-OAHLLOKOSA-N 2 1 266.429 2.362 20 0 CEADMP CC[N@H+](Cc1c[nH]cn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997816 645672475 /nfs/dbraw/zinc/67/24/75/645672475.db2.gz XRDGJMYIFPALMN-UHFFFAOYSA-N 2 1 272.396 2.493 20 0 CEADMP CC[N@@H+](Cc1c[nH]cn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997816 645672479 /nfs/dbraw/zinc/67/24/79/645672479.db2.gz XRDGJMYIFPALMN-UHFFFAOYSA-N 2 1 272.396 2.493 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2COc3c(cccc3OC)C2)CC1 ZINC000765701533 645800410 /nfs/dbraw/zinc/80/04/10/645800410.db2.gz BCYOGKLGQHOKFF-HNNXBMFYSA-N 2 1 290.407 2.073 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC000765937644 645823743 /nfs/dbraw/zinc/82/37/43/645823743.db2.gz UIWYJUVOSNQCFC-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C(C)(C)C)CC2)o1 ZINC000766144938 645852967 /nfs/dbraw/zinc/85/29/67/645852967.db2.gz YEDLLKBYHRUODG-AWEZNQCLSA-N 2 1 280.412 2.474 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000767371664 645983252 /nfs/dbraw/zinc/98/32/52/645983252.db2.gz WGDYBIYZQKKVJA-OAHLLOKOSA-N 2 1 293.411 2.199 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000767371664 645983256 /nfs/dbraw/zinc/98/32/56/645983256.db2.gz WGDYBIYZQKKVJA-OAHLLOKOSA-N 2 1 293.411 2.199 20 0 CEADMP CCCCC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000768159632 646090175 /nfs/dbraw/zinc/09/01/75/646090175.db2.gz PDZRPSYNMXFXAK-HZPDHXFCSA-N 2 1 268.445 2.488 20 0 CEADMP CCCCC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000768159632 646090180 /nfs/dbraw/zinc/09/01/80/646090180.db2.gz PDZRPSYNMXFXAK-HZPDHXFCSA-N 2 1 268.445 2.488 20 0 CEADMP CCCCC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000768159630 646091586 /nfs/dbraw/zinc/09/15/86/646091586.db2.gz PDZRPSYNMXFXAK-CVEARBPZSA-N 2 1 268.445 2.488 20 0 CEADMP CCCCC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000768159630 646091590 /nfs/dbraw/zinc/09/15/90/646091590.db2.gz PDZRPSYNMXFXAK-CVEARBPZSA-N 2 1 268.445 2.488 20 0 CEADMP COC[C@@H](C)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769534046 646283737 /nfs/dbraw/zinc/28/37/37/646283737.db2.gz QYPOOBZTYMGOBW-AWEZNQCLSA-N 2 1 264.413 2.463 20 0 CEADMP CC[NH+](CC)CCOC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000772141087 646597466 /nfs/dbraw/zinc/59/74/66/646597466.db2.gz DSZBEOOCUQIOBC-MJBXVCDLSA-N 2 1 270.417 2.133 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000863553987 646755600 /nfs/dbraw/zinc/75/56/00/646755600.db2.gz OQEAXPVTWONIHD-UHFFFAOYSA-N 2 1 274.412 2.231 20 0 CEADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCCCC[N@H+]1CCCC[C@@H]1C ZINC000864451392 647007656 /nfs/dbraw/zinc/00/76/56/647007656.db2.gz HQJPJXJVRCRTLB-HZSPNIEDSA-N 2 1 266.433 2.163 20 0 CEADMP CC[C@H]1CCN(C(=[NH2+])NC[C@@H]2CCCC[N@H+]2CC)C1 ZINC000864458847 647014071 /nfs/dbraw/zinc/01/40/71/647014071.db2.gz URYGLMBZMQHXFS-KBPBESRZSA-N 2 1 266.433 2.117 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)nc1 ZINC000776264522 647043802 /nfs/dbraw/zinc/04/38/02/647043802.db2.gz JCGWOYLNOWPVGA-JTQLQIEISA-N 2 1 264.760 2.362 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CCO)cc1F ZINC000779341218 647314180 /nfs/dbraw/zinc/31/41/80/647314180.db2.gz MWMBUYBEEGXNMP-NSHDSACASA-N 2 1 277.343 2.180 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000779340643 647314727 /nfs/dbraw/zinc/31/47/27/647314727.db2.gz JQTHPEYXCHMVMF-NVXWUHKLSA-N 2 1 276.424 2.259 20 0 CEADMP C[C@H](C[NH2+]Cc1cc(F)ccc1N(C)C)C[NH+](C)C ZINC000865578265 647368388 /nfs/dbraw/zinc/36/83/88/647368388.db2.gz XVQWBLRBTAITFQ-GFCCVEGCSA-N 2 1 267.392 2.179 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000865784312 647462961 /nfs/dbraw/zinc/46/29/61/647462961.db2.gz ZAGHZPFWXPGPBW-QAETUUGQSA-N 2 1 278.440 2.266 20 0 CEADMP O[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000865875448 647517181 /nfs/dbraw/zinc/51/71/81/647517181.db2.gz PDPUDKHRQQTDOS-ARFHVFGLSA-N 2 1 266.429 2.144 20 0 CEADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccoc2)C1 ZINC000781642253 647548245 /nfs/dbraw/zinc/54/82/45/647548245.db2.gz ZBIYUGNYLNFELG-KRWDZBQOSA-N 2 1 286.375 2.136 20 0 CEADMP COc1nc(C)cc(C)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000805743688 647705675 /nfs/dbraw/zinc/70/56/75/647705675.db2.gz NWCCNGXJAWSUHQ-UHFFFAOYSA-N 2 1 291.439 2.481 20 0 CEADMP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000866341130 647744781 /nfs/dbraw/zinc/74/47/81/647744781.db2.gz VTPJIRMVFULXCZ-DQYPLSBCSA-N 2 1 292.398 2.105 20 0 CEADMP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000866341130 647744783 /nfs/dbraw/zinc/74/47/83/647744783.db2.gz VTPJIRMVFULXCZ-DQYPLSBCSA-N 2 1 292.398 2.105 20 0 CEADMP C(C[C@H]1CCCS1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000866480948 647800047 /nfs/dbraw/zinc/80/00/47/647800047.db2.gz MTBWYUSZZLRZAJ-LSDHHAIUSA-N 2 1 284.469 2.115 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)[C@H](C)C1 ZINC000866537133 647819061 /nfs/dbraw/zinc/81/90/61/647819061.db2.gz LFQGARLCYICESQ-IWCQGFGOSA-N 2 1 280.456 2.369 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CCCCCCCO)CC2 ZINC000784256472 647824374 /nfs/dbraw/zinc/82/43/74/647824374.db2.gz CRXMIVOAPLAAKT-UHFFFAOYSA-N 2 1 268.445 2.489 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CCCCCCCO)CC2 ZINC000784256472 647824376 /nfs/dbraw/zinc/82/43/76/647824376.db2.gz CRXMIVOAPLAAKT-UHFFFAOYSA-N 2 1 268.445 2.489 20 0 CEADMP CC1(C)CC[C@H](C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)OC1 ZINC000866668343 647862705 /nfs/dbraw/zinc/86/27/05/647862705.db2.gz DFVLYDPRYJYORE-NFAWXSAZSA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)OC1 ZINC000866668343 647862710 /nfs/dbraw/zinc/86/27/10/647862710.db2.gz DFVLYDPRYJYORE-NFAWXSAZSA-N 2 1 252.402 2.005 20 0 CEADMP C(C[N@H+]1CCC[C@H](OC2CCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000866697380 647872579 /nfs/dbraw/zinc/87/25/79/647872579.db2.gz OAXHXAXQGIIVQR-HOCLYGCPSA-N 2 1 266.429 2.410 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000866700344 647874010 /nfs/dbraw/zinc/87/40/10/647874010.db2.gz UZUMPXGNTULTLJ-UHFFFAOYSA-N 2 1 293.386 2.228 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000866700344 647874011 /nfs/dbraw/zinc/87/40/11/647874011.db2.gz UZUMPXGNTULTLJ-UHFFFAOYSA-N 2 1 293.386 2.228 20 0 CEADMP Cc1nocc1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707484 647877734 /nfs/dbraw/zinc/87/77/34/647877734.db2.gz OYFHOOFADZKZMJ-CQSZACIVSA-N 2 1 251.374 2.180 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc2c1COC2 ZINC000866717615 647879953 /nfs/dbraw/zinc/87/99/53/647879953.db2.gz KFZUKZGCYJPDLN-RHSMWYFYSA-N 2 1 272.392 2.291 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000785477531 647930761 /nfs/dbraw/zinc/93/07/61/647930761.db2.gz RJOMKIRCQUFYKX-GXFFZTMASA-N 2 1 251.349 2.101 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000785477531 647930765 /nfs/dbraw/zinc/93/07/65/647930765.db2.gz RJOMKIRCQUFYKX-GXFFZTMASA-N 2 1 251.349 2.101 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccnc1Cl ZINC000788257267 648166413 /nfs/dbraw/zinc/16/64/13/648166413.db2.gz LJWSVVIXGWFCAJ-JTQLQIEISA-N 2 1 264.760 2.362 20 0 CEADMP Cn1nccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000793265262 648734125 /nfs/dbraw/zinc/73/41/25/648734125.db2.gz UWCBHRMLVKBRPH-UHFFFAOYSA-N 2 1 272.396 2.114 20 0 CEADMP Cn1nccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000793265262 648734127 /nfs/dbraw/zinc/73/41/27/648734127.db2.gz UWCBHRMLVKBRPH-UHFFFAOYSA-N 2 1 272.396 2.114 20 0 CEADMP CC(C)SCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785400 649184576 /nfs/dbraw/zinc/18/45/76/649184576.db2.gz RZGCSQJDTBIVPY-YHWZYXNKSA-N 2 1 285.457 2.499 20 0 CEADMP CC(C)SCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785400 649184580 /nfs/dbraw/zinc/18/45/80/649184580.db2.gz RZGCSQJDTBIVPY-YHWZYXNKSA-N 2 1 285.457 2.499 20 0 CEADMP Cc1cncc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000871785088 649184614 /nfs/dbraw/zinc/18/46/14/649184614.db2.gz QWOMLCOSSJSCLL-GOOCMWNKSA-N 2 1 288.395 2.261 20 0 CEADMP Cc1cncc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000871785088 649184616 /nfs/dbraw/zinc/18/46/16/649184616.db2.gz QWOMLCOSSJSCLL-GOOCMWNKSA-N 2 1 288.395 2.261 20 0 CEADMP Cc1csc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000871785876 649185352 /nfs/dbraw/zinc/18/53/52/649185352.db2.gz ZLDFBJBLVQUMIG-YOGCLGLASA-N 2 1 294.424 2.323 20 0 CEADMP Cc1csc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000871785876 649185355 /nfs/dbraw/zinc/18/53/55/649185355.db2.gz ZLDFBJBLVQUMIG-YOGCLGLASA-N 2 1 294.424 2.323 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCO1 ZINC000872032923 649247890 /nfs/dbraw/zinc/24/78/90/649247890.db2.gz CCGCXWOPEJECLA-WCVJEAGWSA-N 2 1 296.455 2.033 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCO1 ZINC000872032923 649247894 /nfs/dbraw/zinc/24/78/94/649247894.db2.gz CCGCXWOPEJECLA-WCVJEAGWSA-N 2 1 296.455 2.033 20 0 CEADMP CC(C)OC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000872115577 649282190 /nfs/dbraw/zinc/28/21/90/649282190.db2.gz DDZAEPWMEINBTA-ZIAGYGMSSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126073 649285165 /nfs/dbraw/zinc/28/51/65/649285165.db2.gz IULKOVZRMDHNSM-VDHUWJSZSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126073 649285167 /nfs/dbraw/zinc/28/51/67/649285167.db2.gz IULKOVZRMDHNSM-VDHUWJSZSA-N 2 1 288.435 2.258 20 0 CEADMP COC(=O)c1cc(C[N@@H+](C)C2CCC([NH3+])CC2)ccc1C ZINC000872141452 649290511 /nfs/dbraw/zinc/29/05/11/649290511.db2.gz GSAFOYZOXJPEJC-UHFFFAOYSA-N 2 1 290.407 2.483 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000872143621 649293368 /nfs/dbraw/zinc/29/33/68/649293368.db2.gz UXBBQPZDLZSLJB-ZHCJQAHYSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000872153515 649297146 /nfs/dbraw/zinc/29/71/46/649297146.db2.gz DNXCCPHPOPXTKL-UTUOFQBUSA-N 2 1 280.334 2.028 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccncc2)C[C@@H]1C(F)(F)F ZINC000872150641 649297596 /nfs/dbraw/zinc/29/75/96/649297596.db2.gz YIWWQKBOGARMOL-OLZOCXBDSA-N 2 1 287.329 2.083 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000872153398 649297701 /nfs/dbraw/zinc/29/77/01/649297701.db2.gz AIJIBTUFLQWVJQ-LSDHHAIUSA-N 2 1 282.428 2.041 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)nc1 ZINC000872154875 649298112 /nfs/dbraw/zinc/29/81/12/649298112.db2.gz CXHWLYMLOPRDID-VHSXEESVSA-N 2 1 273.302 2.361 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000872154564 649298389 /nfs/dbraw/zinc/29/83/89/649298389.db2.gz SZDZBDWHRMFFBC-JHJVBQTASA-N 2 1 294.361 2.418 20 0 CEADMP CCCNC(=O)C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158165 649300713 /nfs/dbraw/zinc/30/07/13/649300713.db2.gz YOQBNGXIUOMFCA-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP COCCC1([NH2+]Cc2cnc(C3CC3)s2)CC[NH2+]CC1 ZINC000873224983 649598574 /nfs/dbraw/zinc/59/85/74/649598574.db2.gz PFBQAFGOWKWILQ-UHFFFAOYSA-N 2 1 295.452 2.269 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1cc2c(s1)CC[NH2+]C2 ZINC000873231297 649602411 /nfs/dbraw/zinc/60/24/11/649602411.db2.gz DISQIHXYLBDBEI-UHFFFAOYSA-N 3 1 281.469 2.345 20 0 CEADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC23CCOCC3)[NH2+]C1 ZINC000873236762 649604925 /nfs/dbraw/zinc/60/49/25/649604925.db2.gz JNCWDQBPLAWFGG-ZIAGYGMSSA-N 2 1 266.429 2.313 20 0 CEADMP C[C@@H]([NH2+]CC[C@H]1CCCS1)c1c[nH+]ccc1N ZINC000873245137 649607268 /nfs/dbraw/zinc/60/72/68/649607268.db2.gz XPQWQHPJWACMJX-GHMZBOCLSA-N 2 1 251.399 2.430 20 0 CEADMP C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1c[nH+]ccc1N ZINC000873245138 649607413 /nfs/dbraw/zinc/60/74/13/649607413.db2.gz XPQWQHPJWACMJX-MNOVXSKESA-N 2 1 251.399 2.430 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1noc2ccc(F)cc12 ZINC000873250565 649609234 /nfs/dbraw/zinc/60/92/34/649609234.db2.gz ROCRSQAWJZJSMD-BXKDBHETSA-N 2 1 263.316 2.184 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1noc2ccc(F)cc12 ZINC000873250571 649609283 /nfs/dbraw/zinc/60/92/83/649609283.db2.gz ROCRSQAWJZJSMD-SKDRFNHKSA-N 2 1 263.316 2.184 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873256791 649612814 /nfs/dbraw/zinc/61/28/14/649612814.db2.gz OGDRNSOZNMHZID-VDHUWJSZSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000873256791 649612817 /nfs/dbraw/zinc/61/28/17/649612817.db2.gz OGDRNSOZNMHZID-VDHUWJSZSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000873258005 649613588 /nfs/dbraw/zinc/61/35/88/649613588.db2.gz WQHYCPXHXKDQRC-LEUOFYLZSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000873258005 649613589 /nfs/dbraw/zinc/61/35/89/649613589.db2.gz WQHYCPXHXKDQRC-LEUOFYLZSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1noc2cc(F)ccc12 ZINC000873276768 649622030 /nfs/dbraw/zinc/62/20/30/649622030.db2.gz WVUQNEMNWLNPSF-GWCFXTLKSA-N 2 1 277.343 2.445 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000127247704 651150029 /nfs/dbraw/zinc/15/00/29/651150029.db2.gz KHCVSCMTIDQKDJ-UHFFFAOYSA-N 2 1 274.364 2.143 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000127247704 651150032 /nfs/dbraw/zinc/15/00/32/651150032.db2.gz KHCVSCMTIDQKDJ-UHFFFAOYSA-N 2 1 274.364 2.143 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1)C(C)(C)C ZINC000878865814 651200397 /nfs/dbraw/zinc/20/03/97/651200397.db2.gz NMYQCEXWJMXEFA-DZGCQCFKSA-N 2 1 256.434 2.057 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H]2CCCC(C)(C)O2)CCO1 ZINC000879000860 651226326 /nfs/dbraw/zinc/22/63/26/651226326.db2.gz IVNMDSIVDXWKCP-JKSUJKDBSA-N 2 1 298.471 2.377 20 0 CEADMP CO[C@@H]1CC[C@H](C)[NH+](CCC[N@H+]2C[C@@H](OC)CC[C@@H]2C)C1 ZINC000879321178 651284749 /nfs/dbraw/zinc/28/47/49/651284749.db2.gz KTPLZJKIHWUUAF-LUKYLMHMSA-N 2 1 298.471 2.375 20 0 CEADMP CO[C@@H]1CC[C@H](C)[N@H+](CCC[NH+]2C[C@@H](OC)CC[C@@H]2C)C1 ZINC000879321178 651284752 /nfs/dbraw/zinc/28/47/52/651284752.db2.gz KTPLZJKIHWUUAF-LUKYLMHMSA-N 2 1 298.471 2.375 20 0 CEADMP CO[C@@H]1CC[C@H](C)[N@@H+](CCC[NH+]2C[C@@H](OC)CC[C@@H]2C)C1 ZINC000879321178 651284754 /nfs/dbraw/zinc/28/47/54/651284754.db2.gz KTPLZJKIHWUUAF-LUKYLMHMSA-N 2 1 298.471 2.375 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000879579585 651325566 /nfs/dbraw/zinc/32/55/66/651325566.db2.gz ADHPXMMIDNRKTF-VNQPRFMTSA-N 2 1 294.826 2.399 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000879579585 651325568 /nfs/dbraw/zinc/32/55/68/651325568.db2.gz ADHPXMMIDNRKTF-VNQPRFMTSA-N 2 1 294.826 2.399 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000879579585 651325570 /nfs/dbraw/zinc/32/55/70/651325570.db2.gz ADHPXMMIDNRKTF-VNQPRFMTSA-N 2 1 294.826 2.399 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000879579585 651325573 /nfs/dbraw/zinc/32/55/73/651325573.db2.gz ADHPXMMIDNRKTF-VNQPRFMTSA-N 2 1 294.826 2.399 20 0 CEADMP CC(C)C[N@@H+](C[C@@H](O)C1CC1)CC1CC[NH+](C)CC1 ZINC000879703777 651341563 /nfs/dbraw/zinc/34/15/63/651341563.db2.gz XAGXCBOEWQFPSV-MRXNPFEDSA-N 2 1 268.445 2.057 20 0 CEADMP Cn1cc(CC[NH+]2CCC(C)([NH+]3CCCCC3)CC2)cn1 ZINC000879948350 651363846 /nfs/dbraw/zinc/36/38/46/651363846.db2.gz CBBOABNFHFHELU-UHFFFAOYSA-N 2 1 290.455 2.303 20 0 CEADMP CCN(C)C(=O)CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879948304 651364109 /nfs/dbraw/zinc/36/41/09/651364109.db2.gz BIHRQMIMWKARHK-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP C[C@@H](O)CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879951166 651364271 /nfs/dbraw/zinc/36/42/71/651364271.db2.gz JAJNAUNZSMGXDJ-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP COC(=O)C1(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)CC1 ZINC000879952103 651364892 /nfs/dbraw/zinc/36/48/92/651364892.db2.gz SALFIQWQGWXDFF-UHFFFAOYSA-N 2 1 294.439 2.280 20 0 CEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880200850 651400614 /nfs/dbraw/zinc/40/06/14/651400614.db2.gz DTMXKGXUAZFDQB-JYYAWHABSA-N 2 1 278.440 2.266 20 0 CEADMP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880200850 651400615 /nfs/dbraw/zinc/40/06/15/651400615.db2.gz DTMXKGXUAZFDQB-JYYAWHABSA-N 2 1 278.440 2.266 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880223131 651403208 /nfs/dbraw/zinc/40/32/08/651403208.db2.gz UBCSZSUYURBGBW-CALCHBBNSA-N 2 1 276.424 2.358 20 0 CEADMP C[C@@H](c1ccccc1)[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000880251229 651410247 /nfs/dbraw/zinc/41/02/47/651410247.db2.gz PZKIENQKNBNYHX-FUHWJXTLSA-N 2 1 287.451 2.459 20 0 CEADMP CCOC[C@@H](O)C[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880256493 651410890 /nfs/dbraw/zinc/41/08/90/651410890.db2.gz KATRQXGQWPLGBY-INIZCTEOSA-N 2 1 298.471 2.114 20 0 CEADMP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000880473747 651447074 /nfs/dbraw/zinc/44/70/74/651447074.db2.gz MSLLGTIIQDQBOH-MRXNPFEDSA-N 2 1 280.456 2.488 20 0 CEADMP Cc1cnccc1CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880475249 651447577 /nfs/dbraw/zinc/44/75/77/651447577.db2.gz SRERMYFSQTVBPM-UHFFFAOYSA-N 2 1 273.424 2.493 20 0 CEADMP CC[N@H+]1CC[C@H]1CNc1cc[nH+]c2c(O)cccc12 ZINC000882959593 652290188 /nfs/dbraw/zinc/29/01/88/652290188.db2.gz KLLLJBUNVARVGM-NSHDSACASA-N 2 1 257.337 2.447 20 0 CEADMP CC(C)C[N@@H+](C)CCCNCc1ccc2oc(=O)oc2c1 ZINC000883158217 652382783 /nfs/dbraw/zinc/38/27/83/652382783.db2.gz YCWRZVIRKHURPM-UHFFFAOYSA-N 2 1 292.379 2.454 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000883158217 652382784 /nfs/dbraw/zinc/38/27/84/652382784.db2.gz YCWRZVIRKHURPM-UHFFFAOYSA-N 2 1 292.379 2.454 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000883158217 652382787 /nfs/dbraw/zinc/38/27/87/652382787.db2.gz YCWRZVIRKHURPM-UHFFFAOYSA-N 2 1 292.379 2.454 20 0 CEADMP COC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000883169712 652386964 /nfs/dbraw/zinc/38/69/64/652386964.db2.gz AYNQSHMJXMPZEM-IKGGRYGDSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@H]1C[C@@H](NCc2ccnc(-c3ccccn3)n2)CC[N@H+]1C ZINC000883292203 652424957 /nfs/dbraw/zinc/42/49/57/652424957.db2.gz GXBUYGHTQSHQER-KBPBESRZSA-N 2 1 297.406 2.111 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)[C@H](C)C1 ZINC000883356301 652440425 /nfs/dbraw/zinc/44/04/25/652440425.db2.gz KPWFSPIZZNLAIV-ILXRZTDVSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883423749 652465169 /nfs/dbraw/zinc/46/51/69/652465169.db2.gz UMWSPZNFUBWGKE-QZWWFDLISA-N 2 1 297.462 2.273 20 0 CEADMP C([C@@H]1CCC2(CCC2)O1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000883429318 652466665 /nfs/dbraw/zinc/46/66/65/652466665.db2.gz RXLCMKFSHHPQHP-PMPSAXMXSA-N 2 1 278.440 2.410 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883429970 652467190 /nfs/dbraw/zinc/46/71/90/652467190.db2.gz KKEGFDHIANZVQL-YIYPIFLZSA-N 2 1 252.402 2.064 20 0 CEADMP C=C/C=C\CC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000883434441 652468738 /nfs/dbraw/zinc/46/87/38/652468738.db2.gz RDKHNUOFYXCOFA-YBVPMBIDSA-N 2 1 264.413 2.337 20 0 CEADMP Cc1nonc1C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000883441780 652471577 /nfs/dbraw/zinc/47/15/77/652471577.db2.gz XEISUNPHURDDLN-UKRRQHHQSA-N 2 1 292.427 2.498 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000883442896 652471698 /nfs/dbraw/zinc/47/16/98/652471698.db2.gz VNHDBQHCRWXDNY-BFHYXJOUSA-N 2 1 283.460 2.177 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1(C[NH3+])CCCCC1 ZINC000883455153 652475998 /nfs/dbraw/zinc/47/59/98/652475998.db2.gz VGQIXFFEOGGOHW-UHFFFAOYSA-N 3 1 287.451 2.426 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1(C[NH3+])CCCCC1 ZINC000883455153 652476002 /nfs/dbraw/zinc/47/60/02/652476002.db2.gz VGQIXFFEOGGOHW-UHFFFAOYSA-N 3 1 287.451 2.426 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1(CN)CCCCC1 ZINC000883455153 652476007 /nfs/dbraw/zinc/47/60/07/652476007.db2.gz VGQIXFFEOGGOHW-UHFFFAOYSA-N 2 1 287.451 2.426 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1(CN)CCCCC1 ZINC000883455153 652476009 /nfs/dbraw/zinc/47/60/09/652476009.db2.gz VGQIXFFEOGGOHW-UHFFFAOYSA-N 2 1 287.451 2.426 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000884393761 652831588 /nfs/dbraw/zinc/83/15/88/652831588.db2.gz KWUKPANNHHVKPR-ILXRZTDVSA-N 2 1 295.471 2.129 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)OC1 ZINC000715013925 814924627 /nfs/dbraw/zinc/92/46/27/814924627.db2.gz FDYRNMNZTHMETJ-ZNMIVQPWSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]C[C@H](C)CC)CC1 ZINC001203442229 805802342 /nfs/dbraw/zinc/80/23/42/805802342.db2.gz HSKVYBHLWNQXJS-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCC(C)C ZINC001087829087 805805572 /nfs/dbraw/zinc/80/55/72/805805572.db2.gz ITMBUZNUIDNFCY-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCC(C)C ZINC001087829087 805805580 /nfs/dbraw/zinc/80/55/80/805805580.db2.gz ITMBUZNUIDNFCY-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+](CCCO)C1CC[NH+](C2CC(OC(C)(C)C)C2)CC1 ZINC000341667876 805994817 /nfs/dbraw/zinc/99/48/17/805994817.db2.gz ULJNAAMXUWDKBS-UHFFFAOYSA-N 2 1 298.471 2.111 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](C2CC(OC(C)(C)C)C2)CC1 ZINC000341667876 805994826 /nfs/dbraw/zinc/99/48/26/805994826.db2.gz ULJNAAMXUWDKBS-UHFFFAOYSA-N 2 1 298.471 2.111 20 0 CEADMP CC(C)[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001088336308 806133424 /nfs/dbraw/zinc/13/34/24/806133424.db2.gz ARRAYJPGADLXAB-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC001168091998 806139583 /nfs/dbraw/zinc/13/95/83/806139583.db2.gz DOOXQFRGPCODPC-MJBXVCDLSA-N 2 1 254.418 2.406 20 0 CEADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC001168091998 806139591 /nfs/dbraw/zinc/13/95/91/806139591.db2.gz DOOXQFRGPCODPC-MJBXVCDLSA-N 2 1 254.418 2.406 20 0 CEADMP CC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001030014733 806350927 /nfs/dbraw/zinc/35/09/27/806350927.db2.gz KFCTUXKARCENEM-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001030014733 806350937 /nfs/dbraw/zinc/35/09/37/806350937.db2.gz KFCTUXKARCENEM-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+]1CCO[C@@H]2C[NH+](C3CCC(C)CC3)C[C@@H]2C1 ZINC001168216983 806416903 /nfs/dbraw/zinc/41/69/03/806416903.db2.gz GYMYJISHZXJRHK-BHDPWAOGSA-N 2 1 266.429 2.218 20 0 CEADMP CC[N@H+]1CCO[C@@H]2C[NH+](C3CCC(C)CC3)C[C@@H]2C1 ZINC001168216983 806416908 /nfs/dbraw/zinc/41/69/08/806416908.db2.gz GYMYJISHZXJRHK-BHDPWAOGSA-N 2 1 266.429 2.218 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@@H+](C3CCC(C)CC3)C[C@@H]2C1 ZINC001168216983 806416913 /nfs/dbraw/zinc/41/69/13/806416913.db2.gz GYMYJISHZXJRHK-BHDPWAOGSA-N 2 1 266.429 2.218 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@H+](C3CCC(C)CC3)C[C@@H]2C1 ZINC001168216983 806416920 /nfs/dbraw/zinc/41/69/20/806416920.db2.gz GYMYJISHZXJRHK-BHDPWAOGSA-N 2 1 266.429 2.218 20 0 CEADMP CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001088600501 806501978 /nfs/dbraw/zinc/50/19/78/806501978.db2.gz SZHMULAZDMCHQH-YPMHNXCESA-N 2 1 295.452 2.022 20 0 CEADMP CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001088600501 806501986 /nfs/dbraw/zinc/50/19/86/806501986.db2.gz SZHMULAZDMCHQH-YPMHNXCESA-N 2 1 295.452 2.022 20 0 CEADMP Cn1cc2c(cccc2C[NH+]2CCC([NH+]3CCC3)CC2)n1 ZINC001142472941 806574964 /nfs/dbraw/zinc/57/49/64/806574964.db2.gz AARPAROKLGKBBL-UHFFFAOYSA-N 2 1 284.407 2.243 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@H]3CCCO[C@@H]3C2)CC1 ZINC001168313444 806645739 /nfs/dbraw/zinc/64/57/39/806645739.db2.gz CZLGYUWFZFDVRB-PRLABOORSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@@](O)(CF)C2)CC1 ZINC001168313661 806646463 /nfs/dbraw/zinc/64/64/63/806646463.db2.gz FVJVNKZWUVSCDP-YMAMQOFZSA-N 2 1 272.408 2.046 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](N3CCCCC3)C2)CC1 ZINC001168324733 806653954 /nfs/dbraw/zinc/65/39/54/806653954.db2.gz VUPOEAUZYUYCNT-JCYILVPMSA-N 2 1 279.472 2.419 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)[C@H]2CCC3(C2)OCCO3)CC1 ZINC001168329161 806657904 /nfs/dbraw/zinc/65/79/04/806657904.db2.gz NWFPAFJNQAVPDH-NRXISQOPSA-N 2 1 282.428 2.087 20 0 CEADMP CC(C)N(C)[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168329503 806658762 /nfs/dbraw/zinc/65/87/62/806658762.db2.gz VXOCFXNARJGXRL-GPANFISMSA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[N@H+](C)[C@H]1CCN(C2CCC([NH+](C)C)CC2)C1 ZINC001168329503 806658763 /nfs/dbraw/zinc/65/87/63/806658763.db2.gz VXOCFXNARJGXRL-GPANFISMSA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCN(C2CCC([NH+](C)C)CC2)C1 ZINC001168329503 806658771 /nfs/dbraw/zinc/65/87/71/806658771.db2.gz VXOCFXNARJGXRL-GPANFISMSA-N 2 1 267.461 2.274 20 0 CEADMP Cc1nc2c(o1)CC[N@@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168330326 806660036 /nfs/dbraw/zinc/66/00/36/806660036.db2.gz PDWNRNGNNOGPHY-UHFFFAOYSA-N 2 1 263.385 2.214 20 0 CEADMP Cc1nc2c(o1)CC[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168330326 806660039 /nfs/dbraw/zinc/66/00/39/806660039.db2.gz PDWNRNGNNOGPHY-UHFFFAOYSA-N 2 1 263.385 2.214 20 0 CEADMP C[NH+](C)[C@H]1CC[C@H]([NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC001168365985 806783747 /nfs/dbraw/zinc/78/37/47/806783747.db2.gz HJLXCPWBTDMSJI-JCNLHEQBSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](CC[NH2+]Cc1cnn(Cc2ccccc2)c1)[NH+](C)C ZINC000697937477 806790002 /nfs/dbraw/zinc/79/00/02/806790002.db2.gz SRGGOOUGVVUZOA-OAHLLOKOSA-N 2 1 286.423 2.361 20 0 CEADMP CCCCC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266246640 802315730 /nfs/dbraw/zinc/31/57/30/802315730.db2.gz UBYFFLBYQQPPQX-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266246640 802315738 /nfs/dbraw/zinc/31/57/38/802315738.db2.gz UBYFFLBYQQPPQX-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266246640 802315747 /nfs/dbraw/zinc/31/57/47/802315747.db2.gz UBYFFLBYQQPPQX-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](C)CC1(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CCCC1 ZINC001208185650 802377436 /nfs/dbraw/zinc/37/74/36/802377436.db2.gz HIJHCNXAHQEEFN-CABCVRRESA-N 2 1 266.429 2.219 20 0 CEADMP COC(=O)[C@@H]1C[C@H](C)C[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208185700 802378483 /nfs/dbraw/zinc/37/84/83/802378483.db2.gz IDYWJDNEILIIJR-LSDHHAIUSA-N 2 1 296.455 2.239 20 0 CEADMP C[NH+](C)CCN(Cc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208603344 802387556 /nfs/dbraw/zinc/38/75/56/802387556.db2.gz BRQKZQKUGNICOB-SFHVURJKSA-N 2 1 289.467 2.392 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@H](COCC3CC3)C2)C1 ZINC001208614994 802391011 /nfs/dbraw/zinc/39/10/11/802391011.db2.gz GSECQBWVONEOPX-CVEARBPZSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@H](COCC3CC3)C2)C1 ZINC001208614994 802391016 /nfs/dbraw/zinc/39/10/16/802391016.db2.gz GSECQBWVONEOPX-CVEARBPZSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@H](COCC3CC3)C2)C1 ZINC001208614994 802391025 /nfs/dbraw/zinc/39/10/25/802391025.db2.gz GSECQBWVONEOPX-CVEARBPZSA-N 2 1 266.429 2.077 20 0 CEADMP CN(CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000089907608 802405226 /nfs/dbraw/zinc/40/52/26/802405226.db2.gz WHYTZYWCYJVWJH-KRWDZBQOSA-N 2 1 275.440 2.144 20 0 CEADMP CC/C=C\CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001266474885 802620874 /nfs/dbraw/zinc/62/08/74/802620874.db2.gz XZEQTISUZFGQEA-XETQRACLSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001266474885 802620879 /nfs/dbraw/zinc/62/08/79/802620879.db2.gz XZEQTISUZFGQEA-XETQRACLSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001266474885 802620886 /nfs/dbraw/zinc/62/08/86/802620886.db2.gz XZEQTISUZFGQEA-XETQRACLSA-N 2 1 293.455 2.018 20 0 CEADMP C[N@H+]1CC[C@H](Nc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001167278617 802625210 /nfs/dbraw/zinc/62/52/10/802625210.db2.gz OFPQERLKKOOVQI-AWEZNQCLSA-N 2 1 260.385 2.188 20 0 CEADMP C[N@@H+]1CC[C@H](Nc2c[nH+]c3cccc(Br)n23)C1 ZINC001167278376 802625491 /nfs/dbraw/zinc/62/54/91/802625491.db2.gz HJIFYROUWISBGB-VIFPVBQESA-N 2 1 295.184 2.213 20 0 CEADMP C[N@H+]1CC[C@H](Nc2c[nH+]c3cccc(Br)n23)C1 ZINC001167278376 802625496 /nfs/dbraw/zinc/62/54/96/802625496.db2.gz HJIFYROUWISBGB-VIFPVBQESA-N 2 1 295.184 2.213 20 0 CEADMP C[NH+]1CC[C@@H](c2ccc(N[C@H]3CC[N@H+](C)C3)cc2)C1 ZINC001167284891 802637036 /nfs/dbraw/zinc/63/70/36/802637036.db2.gz XQVGGKOXCXPUEW-ZBFHGGJFSA-N 2 1 259.397 2.222 20 0 CEADMP C[NH+]1CC[C@H](Nc2ccc([C@@H]3CC[N@H+](C)C3)cc2)C1 ZINC001167284891 802637040 /nfs/dbraw/zinc/63/70/40/802637040.db2.gz XQVGGKOXCXPUEW-ZBFHGGJFSA-N 2 1 259.397 2.222 20 0 CEADMP C[NH+]1CC[C@H](Nc2ccc([C@@H]3CC[N@@H+](C)C3)cc2)C1 ZINC001167284891 802637041 /nfs/dbraw/zinc/63/70/41/802637041.db2.gz XQVGGKOXCXPUEW-ZBFHGGJFSA-N 2 1 259.397 2.222 20 0 CEADMP Cc1cc(N(C)C)[nH+]cc1-n1ccc2cc(C[NH3+])cnc21 ZINC001167311156 802672054 /nfs/dbraw/zinc/67/20/54/802672054.db2.gz DSGHJZSBZOHRPY-UHFFFAOYSA-N 2 1 281.363 2.254 20 0 CEADMP C[N@H+](CCCCCC[NH3+])Cc1nccn1C(F)F ZINC000710799616 809992469 /nfs/dbraw/zinc/99/24/69/809992469.db2.gz QZFURZANVWVSCL-UHFFFAOYSA-N 2 1 260.332 2.229 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1nccn1C(F)F ZINC000710799616 809992472 /nfs/dbraw/zinc/99/24/72/809992472.db2.gz QZFURZANVWVSCL-UHFFFAOYSA-N 2 1 260.332 2.229 20 0 CEADMP CCC[N@H+](CC=C(C)C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266560193 802717549 /nfs/dbraw/zinc/71/75/49/802717549.db2.gz CXHTXAZOBAQLID-HZPDHXFCSA-N 2 1 295.471 2.121 20 0 CEADMP CCC[NH+](CC=C(C)C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266560193 802717552 /nfs/dbraw/zinc/71/75/52/802717552.db2.gz CXHTXAZOBAQLID-HZPDHXFCSA-N 2 1 295.471 2.121 20 0 CEADMP CCC[NH+](CC=C(C)C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266560193 802717555 /nfs/dbraw/zinc/71/75/55/802717555.db2.gz CXHTXAZOBAQLID-HZPDHXFCSA-N 2 1 295.471 2.121 20 0 CEADMP c1cn(C2CC2)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000711820477 810098926 /nfs/dbraw/zinc/09/89/26/810098926.db2.gz JJNJNGVPSYPWOB-HNNXBMFYSA-N 2 1 274.412 2.182 20 0 CEADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc(C)c1F ZINC001143381468 802820876 /nfs/dbraw/zinc/82/08/76/802820876.db2.gz BXUPWISHSXNMEF-GASCZTMLSA-N 2 1 262.372 2.436 20 0 CEADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc(C)c1F ZINC001143381468 802820881 /nfs/dbraw/zinc/82/08/81/802820881.db2.gz BXUPWISHSXNMEF-GASCZTMLSA-N 2 1 262.372 2.436 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc(C)c1F ZINC001143381468 802820886 /nfs/dbraw/zinc/82/08/86/802820886.db2.gz BXUPWISHSXNMEF-GASCZTMLSA-N 2 1 262.372 2.436 20 0 CEADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc(C)c1F ZINC001143381468 802820891 /nfs/dbraw/zinc/82/08/91/802820891.db2.gz BXUPWISHSXNMEF-GASCZTMLSA-N 2 1 262.372 2.436 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000723686894 802925044 /nfs/dbraw/zinc/92/50/44/802925044.db2.gz QFZWJIZMMBDGGX-CQSZACIVSA-N 2 1 270.380 2.043 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000723699261 802925815 /nfs/dbraw/zinc/92/58/15/802925815.db2.gz QKCCUOSAPJXDII-LBPRGKRZSA-N 2 1 270.323 2.459 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2scnc2Cl)C[C@H]1CC[NH3+] ZINC000723887147 802964904 /nfs/dbraw/zinc/96/49/04/802964904.db2.gz RCPOTWKOTCCKED-RKDXNWHRSA-N 2 1 259.806 2.213 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ncccc2Br)C[C@H]1CC[NH3+] ZINC000723901514 802965509 /nfs/dbraw/zinc/96/55/09/802965509.db2.gz QDYAJHOLVHRXTB-GHMZBOCLSA-N 2 1 298.228 2.261 20 0 CEADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)[C@@H]1CCCOC1 ZINC000723971070 802980503 /nfs/dbraw/zinc/98/05/03/802980503.db2.gz ZYSIZCDOALJGTN-HUUCEWRRSA-N 2 1 265.401 2.376 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCOC1 ZINC000723985189 802984575 /nfs/dbraw/zinc/98/45/75/802984575.db2.gz CPZPFXBURMFINZ-ZNMIVQPWSA-N 2 1 254.418 2.123 20 0 CEADMP CCCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266966057 803026814 /nfs/dbraw/zinc/02/68/14/803026814.db2.gz YIMVGZHHIALXNZ-KKUMJFAQSA-N 2 1 283.460 2.001 20 0 CEADMP CCCCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001267136047 803155983 /nfs/dbraw/zinc/15/59/83/803155983.db2.gz SFQSAGOZOKAKQY-HUUCEWRRSA-N 2 1 283.460 2.145 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CCCNC(=O)CCC[NH+]1CCCC1 ZINC001267182216 803200689 /nfs/dbraw/zinc/20/06/89/803200689.db2.gz WZUYAZDANFZJOG-INIZCTEOSA-N 2 1 295.471 2.243 20 0 CEADMP CC[C@@H](C)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167626953 803215840 /nfs/dbraw/zinc/21/58/40/803215840.db2.gz IEUBREHCSHNWEI-HZPDHXFCSA-N 2 1 297.487 2.391 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721534807 803313317 /nfs/dbraw/zinc/31/33/17/803313317.db2.gz XURNVPYMFIASIZ-UONOGXRCSA-N 2 1 265.401 2.375 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cn[nH]c1C ZINC000036901488 814940995 /nfs/dbraw/zinc/94/09/95/814940995.db2.gz PDXJBYLIHPXHRB-GFCCVEGCSA-N 2 1 252.406 2.318 20 0 CEADMP CCC1([NH+](C)C)CCN(CCCCCC[NH3+])CC1 ZINC000715219646 814941350 /nfs/dbraw/zinc/94/13/50/814941350.db2.gz DQISAYHSULYHJP-UHFFFAOYSA-N 2 1 255.450 2.312 20 0 CEADMP COc1cccc(CC[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001207432792 803597149 /nfs/dbraw/zinc/59/71/49/803597149.db2.gz GREXKQPUPOCUGL-NVXWUHKLSA-N 2 1 274.408 2.121 20 0 CEADMP COc1cccc(CC[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001207432792 803597154 /nfs/dbraw/zinc/59/71/54/803597154.db2.gz GREXKQPUPOCUGL-NVXWUHKLSA-N 2 1 274.408 2.121 20 0 CEADMP C[NH2+]CCNc1nc(C[NH+](C)C)nc2sc(C)c(C)c21 ZINC001167723087 803671271 /nfs/dbraw/zinc/67/12/71/803671271.db2.gz JTYJPRVUVSXWMC-UHFFFAOYSA-N 2 1 293.440 2.001 20 0 CEADMP CC/C=C\CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267743952 803699152 /nfs/dbraw/zinc/69/91/52/803699152.db2.gz BHTPMIBDYYOWFE-IYKSTZQJSA-N 2 1 293.455 2.018 20 0 CEADMP CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001267831200 803761826 /nfs/dbraw/zinc/76/18/26/803761826.db2.gz MXRTUIOEBPJUNJ-LSDHHAIUSA-N 2 1 283.460 2.145 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000709329385 803823009 /nfs/dbraw/zinc/82/30/09/803823009.db2.gz HAODIGAUTVNNHB-NXHRZFHOSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC[NH2+]1 ZINC000709329385 803823017 /nfs/dbraw/zinc/82/30/17/803823017.db2.gz HAODIGAUTVNNHB-NXHRZFHOSA-N 2 1 287.451 2.381 20 0 CEADMP CCCn1nccc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715530417 814972550 /nfs/dbraw/zinc/97/25/50/814972550.db2.gz XXVZFNYMRKONHO-UONOGXRCSA-N 2 1 264.417 2.256 20 0 CEADMP CO[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000299996539 803924898 /nfs/dbraw/zinc/92/48/98/803924898.db2.gz FNBHFLALPHKXOI-DKUMPPAJSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC001118121996 814985776 /nfs/dbraw/zinc/98/57/76/814985776.db2.gz MORNWIILNTVGJV-MNOVXSKESA-N 2 1 254.349 2.483 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027447990 804077220 /nfs/dbraw/zinc/07/72/20/804077220.db2.gz DFXXTOWWIPTXEV-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027447990 804077228 /nfs/dbraw/zinc/07/72/28/804077228.db2.gz DFXXTOWWIPTXEV-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027447990 804077236 /nfs/dbraw/zinc/07/72/36/804077236.db2.gz DFXXTOWWIPTXEV-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1)[NH+](C)C ZINC001027578269 804133526 /nfs/dbraw/zinc/13/35/26/804133526.db2.gz HOAODSQEKQJKBJ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001027601649 804147177 /nfs/dbraw/zinc/14/71/77/804147177.db2.gz FZQFJYCXNYXEQO-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001027601649 804147183 /nfs/dbraw/zinc/14/71/83/804147183.db2.gz FZQFJYCXNYXEQO-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027601649 804147185 /nfs/dbraw/zinc/14/71/85/804147185.db2.gz FZQFJYCXNYXEQO-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H]1C[N@H+](CCc2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC001118241889 814997278 /nfs/dbraw/zinc/99/72/78/814997278.db2.gz QNKWVYXYYDLCOR-HZMBPMFUSA-N 2 1 254.324 2.176 20 0 CEADMP C[C@H]1C[N@@H+](CCc2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC001118241889 814997284 /nfs/dbraw/zinc/99/72/84/814997284.db2.gz QNKWVYXYYDLCOR-HZMBPMFUSA-N 2 1 254.324 2.176 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2C(C)C)C1 ZINC001028088712 804444909 /nfs/dbraw/zinc/44/49/09/804444909.db2.gz OILRBCMBGAWRLZ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028088712 804444915 /nfs/dbraw/zinc/44/49/15/804444915.db2.gz OILRBCMBGAWRLZ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001028088712 804444920 /nfs/dbraw/zinc/44/49/20/804444920.db2.gz OILRBCMBGAWRLZ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCC[NH+]1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001268327628 804611117 /nfs/dbraw/zinc/61/11/17/804611117.db2.gz MBWTXHHXLKRSAN-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+]1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001268327628 804611128 /nfs/dbraw/zinc/61/11/28/804611128.db2.gz MBWTXHHXLKRSAN-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+]CC1=CCCCC1 ZINC001268425349 804665298 /nfs/dbraw/zinc/66/52/98/804665298.db2.gz DLUISKARHZGLGH-HNNXBMFYSA-N 2 1 295.471 2.311 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H](C)[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168374361 806981871 /nfs/dbraw/zinc/98/18/71/806981871.db2.gz ZVIYOZPZLGPHNN-UKRRQHHQSA-N 2 1 294.439 2.134 20 0 CEADMP C[NH+](C)Cc1ncccc1O[C@H]1CCC[N@H+](C)CC1 ZINC001225280919 804844593 /nfs/dbraw/zinc/84/45/93/804844593.db2.gz PLBCEQMGKJVOOD-ZDUSSCGKSA-N 2 1 263.385 2.006 20 0 CEADMP C[NH+](C)Cc1ncccc1O[C@H]1CCC[N@@H+](C)CC1 ZINC001225280919 804844597 /nfs/dbraw/zinc/84/45/97/804844597.db2.gz PLBCEQMGKJVOOD-ZDUSSCGKSA-N 2 1 263.385 2.006 20 0 CEADMP C[C@H]1CCN(C[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000382766910 804887175 /nfs/dbraw/zinc/88/71/75/804887175.db2.gz WGELYPUZWWGYDY-FUHWJXTLSA-N 2 1 287.451 2.335 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000700802394 804891435 /nfs/dbraw/zinc/89/14/35/804891435.db2.gz IQEJQCUDPAHAGL-HOCLYGCPSA-N 2 1 262.397 2.042 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000165071291 807036217 /nfs/dbraw/zinc/03/62/17/807036217.db2.gz BTTQZAUFRGFLON-CYBMUJFWSA-N 2 1 255.365 2.276 20 0 CEADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000710421125 804999371 /nfs/dbraw/zinc/99/93/71/804999371.db2.gz MLGQWIGKMKUSDP-ZDUSSCGKSA-N 2 1 258.369 2.124 20 0 CEADMP CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCCOC1 ZINC000687960994 805105531 /nfs/dbraw/zinc/10/55/31/805105531.db2.gz FZDSLPKRATVTSG-CYBMUJFWSA-N 2 1 280.437 2.395 20 0 CEADMP O[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167961118 805346765 /nfs/dbraw/zinc/34/67/65/805346765.db2.gz FKZZFMNKLKZGMF-UCHQMPSGSA-N 2 1 278.440 2.142 20 0 CEADMP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001270205576 805368933 /nfs/dbraw/zinc/36/89/33/805368933.db2.gz FAAVBPAFXJNZSU-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@]1(CO)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167982817 805517568 /nfs/dbraw/zinc/51/75/68/805517568.db2.gz BFQLDICKBVHROY-FCLJQHQZSA-N 2 1 278.440 2.096 20 0 CEADMP C[C@@]1(CO)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167982817 805517578 /nfs/dbraw/zinc/51/75/78/805517578.db2.gz BFQLDICKBVHROY-FCLJQHQZSA-N 2 1 278.440 2.096 20 0 CEADMP C[C@@]1(CO)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167982817 805517583 /nfs/dbraw/zinc/51/75/83/805517583.db2.gz BFQLDICKBVHROY-FCLJQHQZSA-N 2 1 278.440 2.096 20 0 CEADMP CC(C)[NH2+][C@H](C)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001029144120 805558484 /nfs/dbraw/zinc/55/84/84/805558484.db2.gz BICFBWPKUIVDOT-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2C1CC[NH+](CC2CC2)CC1 ZINC001168380376 807026518 /nfs/dbraw/zinc/02/65/18/807026518.db2.gz RPZOQBAGGPJNIP-AEGPPILISA-N 2 1 252.377 2.293 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000716224728 815107882 /nfs/dbraw/zinc/10/78/82/815107882.db2.gz CMFOWKHRXIHSIV-LHUBUQBQSA-N 2 1 274.408 2.464 20 0 CEADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000716335701 815115746 /nfs/dbraw/zinc/11/57/46/815115746.db2.gz RUSNSFMGQICCEE-WBVHZDCISA-N 2 1 278.440 2.411 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(OC)c1OC ZINC001205094336 807577878 /nfs/dbraw/zinc/57/78/78/807577878.db2.gz LKPNGORYKUDOEH-CYBMUJFWSA-N 2 1 294.395 2.026 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(OC)c1OC ZINC001205094336 807577883 /nfs/dbraw/zinc/57/78/83/807577883.db2.gz LKPNGORYKUDOEH-CYBMUJFWSA-N 2 1 294.395 2.026 20 0 CEADMP C[C@H](O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716621601 815137014 /nfs/dbraw/zinc/13/70/14/815137014.db2.gz RQBTYHYEYCVIMI-OWLYRPNTSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC(C)(C)O1 ZINC000699283084 807670594 /nfs/dbraw/zinc/67/05/94/807670594.db2.gz RSHJQENLIGAWIV-RLAWYHOSSA-N 2 1 252.402 2.016 20 0 CEADMP CCOc1cc(O)cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205116599 807700702 /nfs/dbraw/zinc/70/07/02/807700702.db2.gz DOGHATPOGFTZLK-CYBMUJFWSA-N 2 1 264.369 2.104 20 0 CEADMP CCOc1cc(O)cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205116599 807700705 /nfs/dbraw/zinc/70/07/05/807700705.db2.gz DOGHATPOGFTZLK-CYBMUJFWSA-N 2 1 264.369 2.104 20 0 CEADMP COc1cc(F)c(C)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205130504 807735109 /nfs/dbraw/zinc/73/51/09/807735109.db2.gz GVCRWDUCOBZATA-ZDUSSCGKSA-N 2 1 266.360 2.456 20 0 CEADMP COc1cc(F)c(C)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205130504 807735116 /nfs/dbraw/zinc/73/51/16/807735116.db2.gz GVCRWDUCOBZATA-ZDUSSCGKSA-N 2 1 266.360 2.456 20 0 CEADMP C[NH+](C)CCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716726934 815144349 /nfs/dbraw/zinc/14/43/49/815144349.db2.gz GLXUASHYMAJKIO-BZSNNMDCSA-N 2 1 287.451 2.191 20 0 CEADMP CN(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716726934 815144351 /nfs/dbraw/zinc/14/43/51/815144351.db2.gz GLXUASHYMAJKIO-BZSNNMDCSA-N 2 1 287.451 2.191 20 0 CEADMP CN(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716726934 815144354 /nfs/dbraw/zinc/14/43/54/815144354.db2.gz GLXUASHYMAJKIO-BZSNNMDCSA-N 2 1 287.451 2.191 20 0 CEADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]([NH3+])C[C@@H](C(=O)OC)C1 ZINC001235769896 807854927 /nfs/dbraw/zinc/85/49/27/807854927.db2.gz IEGNVYARXCYRQV-BFHYXJOUSA-N 2 1 270.417 2.025 20 0 CEADMP CCCC[C@H](CC)C[N@H+]1C[C@H]([NH3+])C[C@@H](C(=O)OC)C1 ZINC001235769896 807854933 /nfs/dbraw/zinc/85/49/33/807854933.db2.gz IEGNVYARXCYRQV-BFHYXJOUSA-N 2 1 270.417 2.025 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000351632505 807858535 /nfs/dbraw/zinc/85/85/35/807858535.db2.gz KMWMLVQPBNOWHE-INIZCTEOSA-N 2 1 276.428 2.464 20 0 CEADMP COc1ccccc1CCC[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235976851 807903025 /nfs/dbraw/zinc/90/30/25/807903025.db2.gz CJGJXMQUNPQFAF-ZBFHGGJFSA-N 2 1 260.381 2.051 20 0 CEADMP COc1ccccc1CCC[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235976851 807903026 /nfs/dbraw/zinc/90/30/26/807903026.db2.gz CJGJXMQUNPQFAF-ZBFHGGJFSA-N 2 1 260.381 2.051 20 0 CEADMP Nc1ccc2c(c1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC001236107424 807978307 /nfs/dbraw/zinc/97/83/07/807978307.db2.gz WXBFYDNMSOWWDD-CYBMUJFWSA-N 2 1 259.397 2.017 20 0 CEADMP c1[nH]nc2c1[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000353435896 808131718 /nfs/dbraw/zinc/13/17/18/808131718.db2.gz AJSMSJNIAYBCIZ-OUCADQQQSA-N 2 1 260.385 2.004 20 0 CEADMP c1[nH]nc2c1[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000353435896 808131723 /nfs/dbraw/zinc/13/17/23/808131723.db2.gz AJSMSJNIAYBCIZ-OUCADQQQSA-N 2 1 260.385 2.004 20 0 CEADMP CC(=O)CC(C)(C)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001171497784 815182135 /nfs/dbraw/zinc/18/21/35/815182135.db2.gz BVVCUZMPLOGXLR-UHFFFAOYSA-N 2 1 286.379 2.191 20 0 CEADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171548025 815193282 /nfs/dbraw/zinc/19/32/82/815193282.db2.gz ZZUGAKNTKVMDRB-JKSUJKDBSA-N 2 1 297.487 2.391 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](F)[C@H](O)C2)CC1(C)C ZINC001171632255 815201637 /nfs/dbraw/zinc/20/16/37/815201637.db2.gz YCVUGVYOWAENQV-CHWSQXEVSA-N 2 1 272.408 2.043 20 0 CEADMP C[N@H+]1CC[C@@H](CNC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171619373 815205526 /nfs/dbraw/zinc/20/55/26/815205526.db2.gz LVBDTAVVSKBRTO-ZDUSSCGKSA-N 2 1 267.461 2.179 20 0 CEADMP C[N@@H+]1CC[C@@H](C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171619373 815205527 /nfs/dbraw/zinc/20/55/27/815205527.db2.gz LVBDTAVVSKBRTO-ZDUSSCGKSA-N 3 1 267.461 2.179 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171619373 815205532 /nfs/dbraw/zinc/20/55/32/815205532.db2.gz LVBDTAVVSKBRTO-ZDUSSCGKSA-N 3 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC23CCCC3)CC[N@@H+]1C ZINC001120249146 815207681 /nfs/dbraw/zinc/20/76/81/815207681.db2.gz GDWCIICNAPNGTN-RDBSUJKOSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC23CCCC3)CC[N@H+]1C ZINC001120249146 815207683 /nfs/dbraw/zinc/20/76/83/815207683.db2.gz GDWCIICNAPNGTN-RDBSUJKOSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@@H](N2CCC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC001171743826 815222474 /nfs/dbraw/zinc/22/24/74/815222474.db2.gz CRVJQNKFSYRNOG-SJLPKXTDSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@@H]1C[C@@H](N2CCC[N@H+](C)CC2)C[NH+]1Cc1ccccc1 ZINC001171743826 815222480 /nfs/dbraw/zinc/22/24/80/815222480.db2.gz CRVJQNKFSYRNOG-SJLPKXTDSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@@H]1C[C@@H](N2CCC[N@@H+](C)CC2)C[NH+]1Cc1ccccc1 ZINC001171743826 815222482 /nfs/dbraw/zinc/22/24/82/815222482.db2.gz CRVJQNKFSYRNOG-SJLPKXTDSA-N 2 1 287.451 2.287 20 0 CEADMP CCOc1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)ccc1C ZINC001205246990 808699488 /nfs/dbraw/zinc/69/94/88/808699488.db2.gz ABNZBOKJPGLYIH-KRWDZBQOSA-N 2 1 292.423 2.069 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001171770694 815230015 /nfs/dbraw/zinc/23/00/15/815230015.db2.gz XUNXGHVRHCTCPL-OAHLLOKOSA-N 2 1 291.439 2.185 20 0 CEADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCCC[NH2+]CC(C)C ZINC001171820438 815233853 /nfs/dbraw/zinc/23/38/53/815233853.db2.gz CSIXSZRQULOSJP-AWEZNQCLSA-N 2 1 294.443 2.112 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963018 815253388 /nfs/dbraw/zinc/25/33/88/815253388.db2.gz GNKMJSMKYCPTND-GOEBONIOSA-N 2 1 276.424 2.400 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)o1 ZINC001206152821 815259553 /nfs/dbraw/zinc/25/95/53/815259553.db2.gz BEURYZUZXAVYAB-KBPBESRZSA-N 2 1 254.349 2.282 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)o1 ZINC001206152821 815259556 /nfs/dbraw/zinc/25/95/56/815259556.db2.gz BEURYZUZXAVYAB-KBPBESRZSA-N 2 1 254.349 2.282 20 0 CEADMP CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033069493 809169011 /nfs/dbraw/zinc/16/90/11/809169011.db2.gz JESHXKPJGUPFNI-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033069493 809169014 /nfs/dbraw/zinc/16/90/14/809169014.db2.gz JESHXKPJGUPFNI-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033069493 809169017 /nfs/dbraw/zinc/16/90/17/809169017.db2.gz JESHXKPJGUPFNI-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)Oc1ccccc1 ZINC000700363100 809301437 /nfs/dbraw/zinc/30/14/37/809301437.db2.gz NXXVKFXTCVEMOT-DNUWFKPPSA-N 2 1 272.392 2.040 20 0 CEADMP CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470846 809314122 /nfs/dbraw/zinc/31/41/22/809314122.db2.gz DVTFOVGRQOCVBL-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033470846 809314125 /nfs/dbraw/zinc/31/41/25/809314125.db2.gz DVTFOVGRQOCVBL-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033470846 809314131 /nfs/dbraw/zinc/31/41/31/809314131.db2.gz DVTFOVGRQOCVBL-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC000700788566 809348550 /nfs/dbraw/zinc/34/85/50/809348550.db2.gz NHLWKSXRDOOGOA-UHFFFAOYSA-N 2 1 251.374 2.229 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700807340 809354909 /nfs/dbraw/zinc/35/49/09/809354909.db2.gz BHVSUBQLBAVTHG-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H](C[NH+]1CCCC1)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100182 815284868 /nfs/dbraw/zinc/28/48/68/815284868.db2.gz APFWTYFUIXODTJ-LVQVYYBASA-N 2 1 265.445 2.076 20 0 CEADMP COC(=O)C[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127338 815287444 /nfs/dbraw/zinc/28/74/44/815287444.db2.gz IHQBPSSQFLNSDZ-LJISPDSOSA-N 2 1 280.412 2.029 20 0 CEADMP COC(=O)C[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127338 815287446 /nfs/dbraw/zinc/28/74/46/815287446.db2.gz IHQBPSSQFLNSDZ-LJISPDSOSA-N 2 1 280.412 2.029 20 0 CEADMP COC(=O)C[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127338 815287449 /nfs/dbraw/zinc/28/74/49/815287449.db2.gz IHQBPSSQFLNSDZ-LJISPDSOSA-N 2 1 280.412 2.029 20 0 CEADMP COC(=O)C[C@@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127338 815287451 /nfs/dbraw/zinc/28/74/51/815287451.db2.gz IHQBPSSQFLNSDZ-LJISPDSOSA-N 2 1 280.412 2.029 20 0 CEADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](C(C)C)C1 ZINC001033826180 809425171 /nfs/dbraw/zinc/42/51/71/809425171.db2.gz MNKLNVRJGSJGSW-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](C(C)C)C1 ZINC001033826180 809425174 /nfs/dbraw/zinc/42/51/74/809425174.db2.gz MNKLNVRJGSJGSW-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](C(C)C)C1 ZINC001033826180 809425180 /nfs/dbraw/zinc/42/51/80/809425180.db2.gz MNKLNVRJGSJGSW-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CN1CCC[C@@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001172130410 815289134 /nfs/dbraw/zinc/28/91/34/815289134.db2.gz OYDZOCYLGDXLMS-NRKLIOEPSA-N 2 1 277.456 2.028 20 0 CEADMP CN1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@@H]21 ZINC001172130410 815289137 /nfs/dbraw/zinc/28/91/37/815289137.db2.gz OYDZOCYLGDXLMS-NRKLIOEPSA-N 2 1 277.456 2.028 20 0 CEADMP CN1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@@H]21 ZINC001172130410 815289140 /nfs/dbraw/zinc/28/91/40/815289140.db2.gz OYDZOCYLGDXLMS-NRKLIOEPSA-N 2 1 277.456 2.028 20 0 CEADMP CC[C@H]1COCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128138 815289433 /nfs/dbraw/zinc/28/94/33/815289433.db2.gz PMWZYFKNQLRINF-BYNSBNAKSA-N 2 1 252.402 2.113 20 0 CEADMP CC[C@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128138 815289436 /nfs/dbraw/zinc/28/94/36/815289436.db2.gz PMWZYFKNQLRINF-BYNSBNAKSA-N 2 1 252.402 2.113 20 0 CEADMP CC[C@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128138 815289438 /nfs/dbraw/zinc/28/94/38/815289438.db2.gz PMWZYFKNQLRINF-BYNSBNAKSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@]12CN(C[C@H]3CCC[NH2+]3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702070999 809493556 /nfs/dbraw/zinc/49/35/56/809493556.db2.gz HPUZFJUQTFPMTF-QRVBRYPASA-N 2 1 299.462 2.192 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(F)n1)C2 ZINC001172101846 815294242 /nfs/dbraw/zinc/29/42/42/815294242.db2.gz CCFSUOZEQGHBNG-BTTYYORXSA-N 2 1 263.360 2.326 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(F)n1)C2 ZINC001172101846 815294248 /nfs/dbraw/zinc/29/42/48/815294248.db2.gz CCFSUOZEQGHBNG-BTTYYORXSA-N 2 1 263.360 2.326 20 0 CEADMP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1(C)C ZINC001172101861 815294945 /nfs/dbraw/zinc/29/49/45/815294945.db2.gz CHOPNWTWPWSNBR-AICCOOGYSA-N 2 1 294.439 2.179 20 0 CEADMP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC001172101861 815294950 /nfs/dbraw/zinc/29/49/50/815294950.db2.gz CHOPNWTWPWSNBR-AICCOOGYSA-N 2 1 294.439 2.179 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172107722 815296543 /nfs/dbraw/zinc/29/65/43/815296543.db2.gz BBWWLPLSMKRXCQ-LUKYLMHMSA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)C[NH+]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172107722 815296547 /nfs/dbraw/zinc/29/65/47/815296547.db2.gz BBWWLPLSMKRXCQ-LUKYLMHMSA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)C[NH+]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172107722 815296552 /nfs/dbraw/zinc/29/65/52/815296552.db2.gz BBWWLPLSMKRXCQ-LUKYLMHMSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1Cc3ccccc3C[C@@H]1C[NH3+])C2 ZINC001172110400 815300745 /nfs/dbraw/zinc/30/07/45/815300745.db2.gz MENHDSJEGOLPKN-YDZRNGNQSA-N 2 1 299.462 2.387 20 0 CEADMP CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034439934 809609783 /nfs/dbraw/zinc/60/97/83/809609783.db2.gz YERFXEMGNYDBJQ-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034439934 809609784 /nfs/dbraw/zinc/60/97/84/809609784.db2.gz YERFXEMGNYDBJQ-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001034539225 809627877 /nfs/dbraw/zinc/62/78/77/809627877.db2.gz YKVKCZNQYYBRMQ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001034539225 809627880 /nfs/dbraw/zinc/62/78/80/809627880.db2.gz YKVKCZNQYYBRMQ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCC(=O)C1)C2 ZINC001172116344 815306405 /nfs/dbraw/zinc/30/64/05/815306405.db2.gz GZWXLEJEBYKDOL-FQUUOJAGSA-N 2 1 250.386 2.103 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCC(=O)C1)C2 ZINC001172116344 815306411 /nfs/dbraw/zinc/30/64/11/815306411.db2.gz GZWXLEJEBYKDOL-FQUUOJAGSA-N 2 1 250.386 2.103 20 0 CEADMP CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001034749241 809680787 /nfs/dbraw/zinc/68/07/87/809680787.db2.gz IXHNUOBVNOORON-JYJNAYRXSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@@H]1CSCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703815782 809693261 /nfs/dbraw/zinc/69/32/61/809693261.db2.gz FKJFIIMULKXTCH-FUDCBSFHSA-N 2 1 254.443 2.202 20 0 CEADMP COc1c(C[NH+]2CCC(C[NH3+])CC2)ccc(F)c1F ZINC001205058147 809699938 /nfs/dbraw/zinc/69/99/38/809699938.db2.gz FLLMRUPWARKBPJ-UHFFFAOYSA-N 2 1 270.323 2.144 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@](O)(C(F)(F)F)C1)C2 ZINC001172120434 815310503 /nfs/dbraw/zinc/31/05/03/815310503.db2.gz KUOSHMDXBVRLRQ-MROQNXINSA-N 2 1 292.345 2.001 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@](O)(C(F)(F)F)C1)C2 ZINC001172120434 815310508 /nfs/dbraw/zinc/31/05/08/815310508.db2.gz KUOSHMDXBVRLRQ-MROQNXINSA-N 2 1 292.345 2.001 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@](O)(C(F)(F)F)C1)C2 ZINC001172120434 815310515 /nfs/dbraw/zinc/31/05/15/815310515.db2.gz KUOSHMDXBVRLRQ-MROQNXINSA-N 2 1 292.345 2.001 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708850047 809936691 /nfs/dbraw/zinc/93/66/91/809936691.db2.gz NCIPBZRUMSPNLR-IRXDYDNUSA-N 2 1 280.456 2.345 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cncnc1 ZINC000708544856 809945294 /nfs/dbraw/zinc/94/52/94/809945294.db2.gz TTWPLVWJDGKNKS-YJBOKZPZSA-N 2 1 296.418 2.334 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cncnc1 ZINC000708544856 809945298 /nfs/dbraw/zinc/94/52/98/809945298.db2.gz TTWPLVWJDGKNKS-YJBOKZPZSA-N 2 1 296.418 2.334 20 0 CEADMP CC(C)N(C(=O)C[N@@H+](C)CCCCCC[NH3+])C(C)C ZINC000710831983 809995526 /nfs/dbraw/zinc/99/55/26/809995526.db2.gz FQVVEPISFQRUPY-UHFFFAOYSA-N 2 1 271.449 2.083 20 0 CEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206163098 815333896 /nfs/dbraw/zinc/33/38/96/815333896.db2.gz AAZXAJXRZKXLPE-KBPBESRZSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1ccc(F)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206163098 815333902 /nfs/dbraw/zinc/33/39/02/815333902.db2.gz AAZXAJXRZKXLPE-KBPBESRZSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923371864 810089577 /nfs/dbraw/zinc/08/95/77/810089577.db2.gz ARASPMDQIYNRRU-CQSZACIVSA-N 2 1 262.401 2.306 20 0 CEADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923371864 810089580 /nfs/dbraw/zinc/08/95/80/810089580.db2.gz ARASPMDQIYNRRU-CQSZACIVSA-N 2 1 262.401 2.306 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nc(-c3ccccc3)no2)CC[C@H]1C[NH3+] ZINC000923503653 810105544 /nfs/dbraw/zinc/10/55/44/810105544.db2.gz KHQHREMKMUPTCT-JSGCOSHPSA-N 2 1 286.379 2.153 20 0 CEADMP CC1(C)[C@H](C(F)(F)F)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693557778 810123294 /nfs/dbraw/zinc/12/32/94/810123294.db2.gz UCOZAFTXGBADIU-KXUCPTDWSA-N 2 1 250.308 2.387 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1O ZINC001206163462 815349350 /nfs/dbraw/zinc/34/93/50/815349350.db2.gz CIKTZQLIXFZJAH-QWHCGFSZSA-N 2 1 282.359 2.052 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1O ZINC001206163462 815349357 /nfs/dbraw/zinc/34/93/57/815349357.db2.gz CIKTZQLIXFZJAH-QWHCGFSZSA-N 2 1 282.359 2.052 20 0 CEADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cccn3C3CC3)[C@H]2C1 ZINC001204087263 815352960 /nfs/dbraw/zinc/35/29/60/815352960.db2.gz AABBSQXHTLAFQG-RCBQFDQVSA-N 2 1 259.397 2.253 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCCC23CC3)CC1 ZINC001172249334 815357753 /nfs/dbraw/zinc/35/77/53/815357753.db2.gz JOHXFWQUZBGWRQ-UHFFFAOYSA-N 2 1 252.402 2.116 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCCC23CC3)CC1 ZINC001172249334 815357760 /nfs/dbraw/zinc/35/77/60/815357760.db2.gz JOHXFWQUZBGWRQ-UHFFFAOYSA-N 2 1 252.402 2.116 20 0 CEADMP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014964805 810248330 /nfs/dbraw/zinc/24/83/30/810248330.db2.gz RVOYMMZZOFHRJQ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014964805 810248336 /nfs/dbraw/zinc/24/83/36/810248336.db2.gz RVOYMMZZOFHRJQ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001014964805 810248341 /nfs/dbraw/zinc/24/83/41/810248341.db2.gz RVOYMMZZOFHRJQ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001014964805 810248349 /nfs/dbraw/zinc/24/83/49/810248349.db2.gz RVOYMMZZOFHRJQ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001014966833 810250609 /nfs/dbraw/zinc/25/06/09/810250609.db2.gz ZCUWZZREPSZGNJ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001014966833 810250619 /nfs/dbraw/zinc/25/06/19/810250619.db2.gz ZCUWZZREPSZGNJ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001014966833 810250623 /nfs/dbraw/zinc/25/06/23/810250623.db2.gz ZCUWZZREPSZGNJ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001014966833 810250630 /nfs/dbraw/zinc/25/06/30/810250630.db2.gz ZCUWZZREPSZGNJ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015497921 810298275 /nfs/dbraw/zinc/29/82/75/810298275.db2.gz HTDILYJBATXLRG-OAHLLOKOSA-N 2 1 293.455 2.018 20 0 CEADMP C[C@@H]1C[C@H](NC(=O)CCCCC2CC[NH2+]CC2)CC[N@H+]1C ZINC001121923439 815367499 /nfs/dbraw/zinc/36/74/99/815367499.db2.gz KVNLQCMYYQTZAT-GDBMZVCRSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)C(C)C)C1)[NH+](C)C ZINC001017203419 810498738 /nfs/dbraw/zinc/49/87/38/810498738.db2.gz KXWGJGONRHTJPW-JKSUJKDBSA-N 2 1 297.487 2.151 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1)C1CC1 ZINC001120072297 810589760 /nfs/dbraw/zinc/58/97/60/810589760.db2.gz STEAQKHMZFRJAW-XUWVNRHRSA-N 2 1 266.429 2.074 20 0 CEADMP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001085217632 810697200 /nfs/dbraw/zinc/69/72/00/810697200.db2.gz KDSZDQXIDSITJR-BZUAXINKSA-N 2 1 295.471 2.288 20 0 CEADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172351281 815400378 /nfs/dbraw/zinc/40/03/78/815400378.db2.gz CMJLVWKAZPMMJZ-KBPBESRZSA-N 2 1 265.401 2.335 20 0 CEADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172351281 815400380 /nfs/dbraw/zinc/40/03/80/815400380.db2.gz CMJLVWKAZPMMJZ-KBPBESRZSA-N 2 1 265.401 2.335 20 0 CEADMP CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001085628923 810857793 /nfs/dbraw/zinc/85/77/93/810857793.db2.gz HQLGDBCNKHLMRT-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001085628923 810857803 /nfs/dbraw/zinc/85/78/03/810857803.db2.gz HQLGDBCNKHLMRT-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085628923 810857811 /nfs/dbraw/zinc/85/78/11/810857811.db2.gz HQLGDBCNKHLMRT-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP COc1ccccc1CC[N@@H+](C)CCC[NH+](C)C ZINC000336727855 810940985 /nfs/dbraw/zinc/94/09/85/810940985.db2.gz MHPDTUMKTDPWMB-UHFFFAOYSA-N 2 1 250.386 2.121 20 0 CEADMP CCOCC[C@H](C)[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001172424825 815417459 /nfs/dbraw/zinc/41/74/59/815417459.db2.gz AZCJFFUDTVQMQX-DOTOQJQBSA-N 2 1 298.471 2.377 20 0 CEADMP CCOCC[C@H](C)[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001172424825 815417463 /nfs/dbraw/zinc/41/74/63/815417463.db2.gz AZCJFFUDTVQMQX-DOTOQJQBSA-N 2 1 298.471 2.377 20 0 CEADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168809000 811252670 /nfs/dbraw/zinc/25/26/70/811252670.db2.gz SPZAWMJTEXEUAU-KBPBESRZSA-N 2 1 299.459 2.444 20 0 CEADMP Cc1cc2[nH+]ccn2cc1N(CC[NH3+])c1cccnc1 ZINC001168837254 811265250 /nfs/dbraw/zinc/26/52/50/811265250.db2.gz XRRDMDFELSDDDB-UHFFFAOYSA-N 2 1 267.336 2.135 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOc1ccc(F)cc1)C2 ZINC001169096225 811365227 /nfs/dbraw/zinc/36/52/27/811365227.db2.gz VWVUQUGZQODIPS-QDMKHBRRSA-N 2 1 278.371 2.419 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1O ZINC001169096822 811365707 /nfs/dbraw/zinc/36/57/07/811365707.db2.gz YUAGCTOCEPGASI-QKDCVEJESA-N 2 1 290.407 2.158 20 0 CEADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169095751 811366831 /nfs/dbraw/zinc/36/68/31/811366831.db2.gz SQWFLCDZLOSXBV-NNZMDNLPSA-N 3 1 287.451 2.463 20 0 CEADMP C[NH+](C)Cc1cccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169095751 811366842 /nfs/dbraw/zinc/36/68/42/811366842.db2.gz SQWFLCDZLOSXBV-NNZMDNLPSA-N 2 1 287.451 2.463 20 0 CEADMP C[NH+](C)Cc1cccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169095751 811366853 /nfs/dbraw/zinc/36/68/53/811366853.db2.gz SQWFLCDZLOSXBV-NNZMDNLPSA-N 2 1 287.451 2.463 20 0 CEADMP COC(=O)CCCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169077900 811376643 /nfs/dbraw/zinc/37/66/43/811376643.db2.gz BGSHARMTZIADOY-QKDCVEJESA-N 2 1 282.428 2.325 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccn1 ZINC001169118312 811386455 /nfs/dbraw/zinc/38/64/55/811386455.db2.gz HFVKFQOMVCGWGS-MHEUCROKSA-N 2 1 275.396 2.366 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccn1 ZINC001169118312 811386470 /nfs/dbraw/zinc/38/64/70/811386470.db2.gz HFVKFQOMVCGWGS-MHEUCROKSA-N 2 1 275.396 2.366 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001169109090 811402769 /nfs/dbraw/zinc/40/27/69/811402769.db2.gz HNFLFXOBYZUYSO-WJHISTESSA-N 2 1 277.456 2.217 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001169109090 811402777 /nfs/dbraw/zinc/40/27/77/811402777.db2.gz HNFLFXOBYZUYSO-WJHISTESSA-N 2 1 277.456 2.217 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001169109090 811402782 /nfs/dbraw/zinc/40/27/82/811402782.db2.gz HNFLFXOBYZUYSO-WJHISTESSA-N 2 1 277.456 2.217 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+](C3CCCC3)CC1)C2 ZINC001169141061 811405969 /nfs/dbraw/zinc/40/59/69/811405969.db2.gz OLMJMICDTVZFMW-FVQHAEBGSA-N 2 1 277.456 2.172 20 0 CEADMP CCCO[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169141404 811408400 /nfs/dbraw/zinc/40/84/00/811408400.db2.gz QHPOYEZAMIMZFJ-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP CCCO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169141404 811408407 /nfs/dbraw/zinc/40/84/07/811408407.db2.gz QHPOYEZAMIMZFJ-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP CCCO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169141404 811408409 /nfs/dbraw/zinc/40/84/09/811408409.db2.gz QHPOYEZAMIMZFJ-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP CC[NH+](CC)[C@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169142393 811409630 /nfs/dbraw/zinc/40/96/30/811409630.db2.gz CFTQCDMUMPFGFC-XUWVNRHRSA-N 2 1 265.445 2.028 20 0 CEADMP CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H]1C ZINC001169146461 811410542 /nfs/dbraw/zinc/41/05/42/811410542.db2.gz PXODFYMJRDNCJS-LJIZCISZSA-N 2 1 294.439 2.275 20 0 CEADMP CCOC(=O)[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1C ZINC001169146461 811410548 /nfs/dbraw/zinc/41/05/48/811410548.db2.gz PXODFYMJRDNCJS-LJIZCISZSA-N 2 1 294.439 2.275 20 0 CEADMP CCOC(=O)[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC001169146461 811410553 /nfs/dbraw/zinc/41/05/53/811410553.db2.gz PXODFYMJRDNCJS-LJIZCISZSA-N 2 1 294.439 2.275 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CCOC(C)C)C[C@@H]2C1 ZINC001172460888 815446500 /nfs/dbraw/zinc/44/65/00/815446500.db2.gz QLOOXWFRIRBIGO-KFWWJZLASA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CCOC(C)C)C[C@@H]2C1 ZINC001172460888 815446504 /nfs/dbraw/zinc/44/65/04/815446504.db2.gz QLOOXWFRIRBIGO-KFWWJZLASA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CCOC(C)C)C[C@@H]2C1 ZINC001172460888 815446508 /nfs/dbraw/zinc/44/65/08/815446508.db2.gz QLOOXWFRIRBIGO-KFWWJZLASA-N 2 1 254.418 2.074 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)N1CCC([N@@H+](C)CC)CC1 ZINC001169490273 811549789 /nfs/dbraw/zinc/54/97/89/811549789.db2.gz PTUMHLBDIRDTND-AWEZNQCLSA-N 2 1 283.460 2.050 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH+]1CCC([N@H+](C)CC)CC1 ZINC001169490273 811549797 /nfs/dbraw/zinc/54/97/97/811549797.db2.gz PTUMHLBDIRDTND-AWEZNQCLSA-N 2 1 283.460 2.050 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001169490273 811549808 /nfs/dbraw/zinc/54/98/08/811549808.db2.gz PTUMHLBDIRDTND-AWEZNQCLSA-N 2 1 283.460 2.050 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3nccn3c2)CCC[C@H]1C[NH3+] ZINC001206013228 811587432 /nfs/dbraw/zinc/58/74/32/811587432.db2.gz QNHKJXLXGSROEN-ZFWWWQNUSA-N 2 1 272.396 2.141 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NC2(C)CC[NH+](CC)CC2)C1 ZINC001045531464 811621845 /nfs/dbraw/zinc/62/18/45/811621845.db2.gz JNQCMGYGXJWHPP-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+](CCC)CC[NH2+][C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172584758 815477046 /nfs/dbraw/zinc/47/70/46/815477046.db2.gz AEQMWNDDGYAFEK-CABCVRRESA-N 2 1 284.444 2.430 20 0 CEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206173555 815490359 /nfs/dbraw/zinc/49/03/59/815490359.db2.gz IERFEXKNYWTDJB-UONOGXRCSA-N 2 1 254.324 2.395 20 0 CEADMP CC(C)CCC[C@@H](C)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001170063518 812023944 /nfs/dbraw/zinc/02/39/44/812023944.db2.gz DGJIFJFZTCZQSC-ZBFHGGJFSA-N 2 1 267.461 2.214 20 0 CEADMP Cn1ccc2c1cccc2C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206174017 815496734 /nfs/dbraw/zinc/49/67/34/815496734.db2.gz LHMPXWRNVJXWKD-LSDHHAIUSA-N 2 1 275.371 2.440 20 0 CEADMP Cn1ccc2c1cccc2C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206174017 815496741 /nfs/dbraw/zinc/49/67/41/815496741.db2.gz LHMPXWRNVJXWKD-LSDHHAIUSA-N 2 1 275.371 2.440 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001172744462 815499851 /nfs/dbraw/zinc/49/98/51/815499851.db2.gz SDLBRCQQIGUPKZ-CYBMUJFWSA-N 2 1 282.428 2.323 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001172743531 815500451 /nfs/dbraw/zinc/50/04/51/815500451.db2.gz BKDMXYLUWQOXQL-IYXRBSQSSA-N 2 1 270.417 2.308 20 0 CEADMP CCOc1ncccc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206566279 812091915 /nfs/dbraw/zinc/09/19/15/812091915.db2.gz ZELUIXQHLWSUFJ-INIZCTEOSA-N 2 1 277.412 2.431 20 0 CEADMP CCOc1ncccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206566279 812091925 /nfs/dbraw/zinc/09/19/25/812091925.db2.gz ZELUIXQHLWSUFJ-INIZCTEOSA-N 2 1 277.412 2.431 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172715136 815505781 /nfs/dbraw/zinc/50/57/81/815505781.db2.gz FRDNVUALHKYUQT-IINYFYTJSA-N 2 1 252.789 2.334 20 0 CEADMP CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049531961 812160597 /nfs/dbraw/zinc/16/05/97/812160597.db2.gz FPULUDIKHBSMAH-PMPSAXMXSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2[NH3+])C1 ZINC001170126278 812176163 /nfs/dbraw/zinc/17/61/63/812176163.db2.gz UVHOYXCVNJGZOM-DGAVXFQQSA-N 2 1 297.443 2.101 20 0 CEADMP CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049726094 812200232 /nfs/dbraw/zinc/20/02/32/812200232.db2.gz BSFAUSAAJMZFLY-JYJNAYRXSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CC[NH+](CCCC(C)(C)C)CC1 ZINC001113499227 812262525 /nfs/dbraw/zinc/26/25/25/812262525.db2.gz OPHBSAKBTMWCNG-UHFFFAOYSA-N 2 1 297.487 2.299 20 0 CEADMP CC/C=C/CC[NH+]1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001113571263 812279815 /nfs/dbraw/zinc/27/98/15/812279815.db2.gz DYNIHNHGKMHOMB-VOTSOKGWSA-N 2 1 295.471 2.219 20 0 CEADMP CC[C@@H]1C[C@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CCO1 ZINC001170214620 812338668 /nfs/dbraw/zinc/33/86/68/812338668.db2.gz ROLLRONKIQANQS-HZPDHXFCSA-N 2 1 278.440 2.362 20 0 CEADMP CC[C@@H]1C[C@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CCO1 ZINC001170214620 812338676 /nfs/dbraw/zinc/33/86/76/812338676.db2.gz ROLLRONKIQANQS-HZPDHXFCSA-N 2 1 278.440 2.362 20 0 CEADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001170418825 812413354 /nfs/dbraw/zinc/41/33/54/812413354.db2.gz BKFFTQUNQSDMGW-GXTWGEPZSA-N 2 1 278.396 2.263 20 0 CEADMP C[N@H+]1CCC[C@H]([NH+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254509381 812427556 /nfs/dbraw/zinc/42/75/56/812427556.db2.gz FQGFHMANVFAEBF-ULQDDVLXSA-N 3 1 279.472 2.453 20 0 CEADMP C[NH+]1CCC[C@H]([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254509381 812427560 /nfs/dbraw/zinc/42/75/60/812427560.db2.gz FQGFHMANVFAEBF-ULQDDVLXSA-N 3 1 279.472 2.453 20 0 CEADMP C[NH+]1CCC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254509381 812427562 /nfs/dbraw/zinc/42/75/62/812427562.db2.gz FQGFHMANVFAEBF-ULQDDVLXSA-N 3 1 279.472 2.453 20 0 CEADMP CN1CCC[C@H]([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254509381 812427565 /nfs/dbraw/zinc/42/75/65/812427565.db2.gz FQGFHMANVFAEBF-ULQDDVLXSA-N 2 1 279.472 2.453 20 0 CEADMP CN1CCC[C@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254509381 812427570 /nfs/dbraw/zinc/42/75/70/812427570.db2.gz FQGFHMANVFAEBF-ULQDDVLXSA-N 2 1 279.472 2.453 20 0 CEADMP CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938308 812477174 /nfs/dbraw/zinc/47/71/74/812477174.db2.gz VHDZNGBXLWZUHT-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)CC[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129421785 812492485 /nfs/dbraw/zinc/49/24/85/812492485.db2.gz CEFAELDEQZQGJS-OAHLLOKOSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129839551 812515142 /nfs/dbraw/zinc/51/51/42/812515142.db2.gz BJDJJSSDBPGAFC-HOTGVXAUSA-N 2 1 297.487 2.249 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130190015 812542884 /nfs/dbraw/zinc/54/28/84/812542884.db2.gz VFGSWEUAARNNQD-JKSUJKDBSA-N 2 1 295.471 2.145 20 0 CEADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170526526 812624439 /nfs/dbraw/zinc/62/44/39/812624439.db2.gz NYRYGMZZQHRJHR-XOUADPBQSA-N 2 1 294.439 2.453 20 0 CEADMP CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132210371 812798408 /nfs/dbraw/zinc/79/84/08/812798408.db2.gz HAPDUAYECHYTPH-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132265064 812812501 /nfs/dbraw/zinc/81/25/01/812812501.db2.gz HQQSCKGVHQGGKT-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277031 812817547 /nfs/dbraw/zinc/81/75/47/812817547.db2.gz AFWMWOSMFJUAFP-YCZSJOHXSA-N 2 1 295.471 2.264 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCC)C1 ZINC001132435110 812849987 /nfs/dbraw/zinc/84/99/87/812849987.db2.gz BGBKFBBOHWOQPW-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC)C1 ZINC001132435110 812849996 /nfs/dbraw/zinc/84/99/96/812849996.db2.gz BGBKFBBOHWOQPW-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC)C1 ZINC001132435110 812850003 /nfs/dbraw/zinc/85/00/03/812850003.db2.gz BGBKFBBOHWOQPW-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC)C1 ZINC001132435112 812850280 /nfs/dbraw/zinc/85/02/80/812850280.db2.gz BGBKFBBOHWOQPW-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC)C1 ZINC001132435112 812850288 /nfs/dbraw/zinc/85/02/88/812850288.db2.gz BGBKFBBOHWOQPW-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC)C1 ZINC001132435112 812850296 /nfs/dbraw/zinc/85/02/96/812850296.db2.gz BGBKFBBOHWOQPW-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132519117 812874118 /nfs/dbraw/zinc/87/41/18/812874118.db2.gz SQAWLIOCUYBJCK-HOTGVXAUSA-N 2 1 297.487 2.486 20 0 CEADMP CCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132519117 812874127 /nfs/dbraw/zinc/87/41/27/812874127.db2.gz SQAWLIOCUYBJCK-HOTGVXAUSA-N 2 1 297.487 2.486 20 0 CEADMP CCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132519117 812874136 /nfs/dbraw/zinc/87/41/36/812874136.db2.gz SQAWLIOCUYBJCK-HOTGVXAUSA-N 2 1 297.487 2.486 20 0 CEADMP CO[C@@H]1CCC[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC001172946847 815557565 /nfs/dbraw/zinc/55/75/65/815557565.db2.gz VUMZHXKXZJGUJR-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP CO[C@H]1CCC[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)C1 ZINC001172946653 815557672 /nfs/dbraw/zinc/55/76/72/815557672.db2.gz VBVZKPFOVVKOAB-KGLIPLIRSA-N 2 1 263.385 2.480 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052394634 812986910 /nfs/dbraw/zinc/98/69/10/812986910.db2.gz ZLTXKKYOEFQFKN-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052394634 812986915 /nfs/dbraw/zinc/98/69/15/812986915.db2.gz ZLTXKKYOEFQFKN-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001052394634 812986918 /nfs/dbraw/zinc/98/69/18/812986918.db2.gz ZLTXKKYOEFQFKN-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133230292 813014166 /nfs/dbraw/zinc/01/41/66/813014166.db2.gz VAYQBSFPKYMSPB-JKSUJKDBSA-N 2 1 297.487 2.203 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052658530 813022669 /nfs/dbraw/zinc/02/26/69/813022669.db2.gz QMZTYDHOKBPZRZ-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052658530 813022677 /nfs/dbraw/zinc/02/26/77/813022677.db2.gz QMZTYDHOKBPZRZ-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001052658530 813022685 /nfs/dbraw/zinc/02/26/85/813022685.db2.gz QMZTYDHOKBPZRZ-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCOc1cccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001138096916 813075856 /nfs/dbraw/zinc/07/58/56/813075856.db2.gz ADKJKVJEZIODAU-CVEARBPZSA-N 2 1 274.408 2.469 20 0 CEADMP CCOc1cccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001138096916 813075864 /nfs/dbraw/zinc/07/58/64/813075864.db2.gz ADKJKVJEZIODAU-CVEARBPZSA-N 2 1 274.408 2.469 20 0 CEADMP CCOc1cccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001138096916 813075874 /nfs/dbraw/zinc/07/58/74/813075874.db2.gz ADKJKVJEZIODAU-CVEARBPZSA-N 2 1 274.408 2.469 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3cc(Cl)ncc23)CC[C@H]1F ZINC001206189541 815575124 /nfs/dbraw/zinc/57/51/24/815575124.db2.gz XHMGZQLWNKUEKR-NEPJUHHUSA-N 2 1 296.777 2.478 20 0 CEADMP CN1CC[C@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255422170 813122009 /nfs/dbraw/zinc/12/20/09/813122009.db2.gz PUCGRXQLZKNDHT-ULQDDVLXSA-N 2 1 279.472 2.453 20 0 CEADMP CSCC1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000385612064 813139696 /nfs/dbraw/zinc/13/96/96/813139696.db2.gz CAZPCOYTUYFCQB-QDIHITRGSA-N 2 1 298.496 2.361 20 0 CEADMP CSCC1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000385612064 813139699 /nfs/dbraw/zinc/13/96/99/813139699.db2.gz CAZPCOYTUYFCQB-QDIHITRGSA-N 2 1 298.496 2.361 20 0 CEADMP CN1CCC[C@@H]2C[N@H+]([C@@H]3CCc4ncsc4C3)C[C@H]21 ZINC001173143084 815602010 /nfs/dbraw/zinc/60/20/10/815602010.db2.gz YXVRIQGYWXRJTB-YRGRVCCFSA-N 2 1 277.437 2.026 20 0 CEADMP C[NH+](C)CCC[N@H+](C)Cc1cccc2c1NCCC2 ZINC000388813727 813242711 /nfs/dbraw/zinc/24/27/11/813242711.db2.gz VMJZDBUXTWGCHT-UHFFFAOYSA-N 2 1 261.413 2.428 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc2c1NCCC2 ZINC000388813727 813242717 /nfs/dbraw/zinc/24/27/17/813242717.db2.gz VMJZDBUXTWGCHT-UHFFFAOYSA-N 2 1 261.413 2.428 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)NC(=O)OC(C)(C)C ZINC000390741131 813268486 /nfs/dbraw/zinc/26/84/86/813268486.db2.gz CDMCGTGWLPCQAC-GFCCVEGCSA-N 2 1 297.443 2.116 20 0 CEADMP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608415 813298263 /nfs/dbraw/zinc/29/82/63/813298263.db2.gz VNWICJFDGCZJCT-CABCVRRESA-N 2 1 295.471 2.310 20 0 CEADMP C[NH+](C)CCN(Cc1ccccc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001255479668 813302636 /nfs/dbraw/zinc/30/26/36/813302636.db2.gz KPRKPPXMXVQPQZ-QGZVFWFLSA-N 2 1 275.440 2.144 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134766791 813323013 /nfs/dbraw/zinc/32/30/13/813323013.db2.gz MEGDJPMACTYHQG-MRXNPFEDSA-N 2 1 297.487 2.391 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071930072 813515324 /nfs/dbraw/zinc/51/53/24/813515324.db2.gz BNLFHXVYLRAHER-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(C)C ZINC001135995177 813581922 /nfs/dbraw/zinc/58/19/22/813581922.db2.gz ARDNRAFTOWBGMR-LSDHHAIUSA-N 2 1 285.476 2.247 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001135996550 813583076 /nfs/dbraw/zinc/58/30/76/813583076.db2.gz SYTBWCHULZUDAD-CABCVRRESA-N 2 1 297.487 2.391 20 0 CEADMP NC1(C[NH2+]C2CCC3(CCC[NH2+]C3)CC2)CCCC1 ZINC001246074056 813670445 /nfs/dbraw/zinc/67/04/45/813670445.db2.gz BRLNVVVQGFYSKX-UHFFFAOYSA-N 2 1 265.445 2.160 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)nc2)CC[NH2+]1 ZINC001246075894 813671918 /nfs/dbraw/zinc/67/19/18/813671918.db2.gz BSPLKULBUOZJFC-ONGXEEELSA-N 2 1 284.201 2.074 20 0 CEADMP CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246097361 813685491 /nfs/dbraw/zinc/68/54/91/813685491.db2.gz OKALCRNMKIXMQT-ZNMIVQPWSA-N 3 1 253.434 2.029 20 0 CEADMP CCCC[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)CC[NH2+]1 ZINC001246098906 813687960 /nfs/dbraw/zinc/68/79/60/813687960.db2.gz KNFIPGFXUADBQV-ZJIFWQFVSA-N 3 1 267.461 2.132 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+][C@H]2C)C[C@H](CC)[NH2+]1 ZINC001246109579 813702358 /nfs/dbraw/zinc/70/23/58/813702358.db2.gz JWFSXXYNLSWTNB-NPJQDHAYSA-N 3 1 267.461 2.273 20 0 CEADMP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001246154430 813713653 /nfs/dbraw/zinc/71/36/53/813713653.db2.gz XNXUHLDWTZGZFQ-MJBXVCDLSA-N 2 1 284.444 2.461 20 0 CEADMP C[NH+]1CCN(c2c(F)cccc2NC2=C[NH2+]CCC2)CC1 ZINC001160122215 813727701 /nfs/dbraw/zinc/72/77/01/813727701.db2.gz DMTXZYHSSBAFPX-UHFFFAOYSA-N 2 1 290.386 2.214 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCCOc2cccc(F)c2)CN1 ZINC001246325499 813779778 /nfs/dbraw/zinc/77/97/78/813779778.db2.gz ANXLVEONBSZANK-OCCSQVGLSA-N 2 1 266.360 2.325 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCCOc2cccc(F)c2)C[NH2+]1 ZINC001246325499 813779787 /nfs/dbraw/zinc/77/97/87/813779787.db2.gz ANXLVEONBSZANK-OCCSQVGLSA-N 2 1 266.360 2.325 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1COc2ccc(Cl)cc2C1 ZINC001246331919 813783046 /nfs/dbraw/zinc/78/30/46/813783046.db2.gz KQZPPKNYZHIYIA-STQMWFEESA-N 2 1 268.788 2.216 20 0 CEADMP CCC[NH+](CCC)CC[NH2+]C1CCC2(CC1)OCCO2 ZINC001255613130 813792319 /nfs/dbraw/zinc/79/23/19/813792319.db2.gz CRQJGIFAYNOZSE-UHFFFAOYSA-N 2 1 284.444 2.384 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC ZINC001171122316 813902678 /nfs/dbraw/zinc/90/26/78/813902678.db2.gz YJNIZNBHHRINPS-CABCVRRESA-N 2 1 283.460 2.145 20 0 CEADMP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099214920 813995758 /nfs/dbraw/zinc/99/57/58/813995758.db2.gz NRWJXVFAKWEIIL-OAHLLOKOSA-N 2 1 297.487 2.201 20 0 CEADMP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246553764 814019717 /nfs/dbraw/zinc/01/97/17/814019717.db2.gz UKTYNBPNKCXZOH-GVRJEKJASA-N 3 1 267.461 2.212 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246553764 814019721 /nfs/dbraw/zinc/01/97/21/814019721.db2.gz UKTYNBPNKCXZOH-GVRJEKJASA-N 3 1 267.461 2.212 20 0 CEADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246555493 814029196 /nfs/dbraw/zinc/02/91/96/814029196.db2.gz FMFOMJGGFMUKNH-SOUVJXGZSA-N 2 1 256.434 2.497 20 0 CEADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246564189 814056169 /nfs/dbraw/zinc/05/61/69/814056169.db2.gz FOJPHMORUGGKBP-LSDHHAIUSA-N 3 1 267.461 2.166 20 0 CEADMP CC(C)N1CCC([N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246564189 814056178 /nfs/dbraw/zinc/05/61/78/814056178.db2.gz FOJPHMORUGGKBP-LSDHHAIUSA-N 2 1 267.461 2.166 20 0 CEADMP CC(C)N1CCC([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246564189 814056187 /nfs/dbraw/zinc/05/61/87/814056187.db2.gz FOJPHMORUGGKBP-LSDHHAIUSA-N 2 1 267.461 2.166 20 0 CEADMP CCNC(=O)OC1CC[NH+]([C@@H](C)CC[NH+](CC)CC)CC1 ZINC001255965700 814064680 /nfs/dbraw/zinc/06/46/80/814064680.db2.gz HCEFQJKPQNVTCA-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001255972298 814065492 /nfs/dbraw/zinc/06/54/92/814065492.db2.gz OZCRHNUZWDKVJZ-WBVHZDCISA-N 2 1 297.487 2.438 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246568365 814071444 /nfs/dbraw/zinc/07/14/44/814071444.db2.gz OAMGLSFHNCNTDT-HRCADAONSA-N 3 1 269.477 2.414 20 0 CEADMP CC(C)[N@H+](C)[C@@H]1CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144625194 814127988 /nfs/dbraw/zinc/12/79/88/814127988.db2.gz HOXRZDAZTSMFKM-CQSZACIVSA-N 2 1 272.396 2.249 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144625194 814127999 /nfs/dbraw/zinc/12/79/99/814127999.db2.gz HOXRZDAZTSMFKM-CQSZACIVSA-N 2 1 272.396 2.249 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CC=C(C)C)C1 ZINC001100457228 814130222 /nfs/dbraw/zinc/13/02/22/814130222.db2.gz VFBCVTKNTPIGJT-UHFFFAOYSA-N 2 1 295.471 2.167 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)C[C@H](C)O1 ZINC001246578480 814136452 /nfs/dbraw/zinc/13/64/52/814136452.db2.gz REOKYZOIAGLNIP-LXTVHRRPSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246579332 814144467 /nfs/dbraw/zinc/14/44/67/814144467.db2.gz UPJWSVNMDHLHGU-NHIYQJMISA-N 2 1 264.413 2.195 20 0 CEADMP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246592126 814185547 /nfs/dbraw/zinc/18/55/47/814185547.db2.gz OKRITNGNCIOSPT-QKPAOTATSA-N 3 1 267.461 2.356 20 0 CEADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@H](C[NH3+])CC[C@H]2C)CC[NH2+]1 ZINC001246592126 814185550 /nfs/dbraw/zinc/18/55/50/814185550.db2.gz OKRITNGNCIOSPT-QKPAOTATSA-N 3 1 267.461 2.356 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001171236065 814205304 /nfs/dbraw/zinc/20/53/04/814205304.db2.gz KTISGKQBHSAXIS-JKSUJKDBSA-N 2 1 297.487 2.249 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC(C)(C)C1 ZINC001246858276 814296976 /nfs/dbraw/zinc/29/69/76/814296976.db2.gz DRAYIGUIKBCAET-UUWGUWTESA-N 2 1 266.429 2.107 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001146719281 814313695 /nfs/dbraw/zinc/31/36/95/814313695.db2.gz OEBWILOEEPKESV-UHFFFAOYSA-N 2 1 297.487 2.250 20 0 CEADMP CC[NH+]1CCC(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001146788816 814325902 /nfs/dbraw/zinc/32/59/02/814325902.db2.gz UYSGYKSYKLJVID-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357687 814383203 /nfs/dbraw/zinc/38/32/03/814383203.db2.gz FKFKFDIVMLGDJO-OAGGEKHMSA-N 2 1 297.487 2.201 20 0 CEADMP C[NH2+]CC[C@@H](C)N(C)CC[N@@H+](C)Cc1ccccc1 ZINC001246921526 814418131 /nfs/dbraw/zinc/41/81/31/814418131.db2.gz QSGHWIIHLQNDJJ-OAHLLOKOSA-N 2 1 263.429 2.048 20 0 CEADMP CCCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001147358968 814428369 /nfs/dbraw/zinc/42/83/69/814428369.db2.gz KGONBJJYVSOGLK-OAHLLOKOSA-N 2 1 283.460 2.147 20 0 CEADMP C[C@H](Cc1cccc(Cl)c1)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246946902 814460632 /nfs/dbraw/zinc/46/06/32/814460632.db2.gz IRTMZWDWPYJNOQ-RABLLNBGSA-N 2 1 264.800 2.421 20 0 CEADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103379916 814495824 /nfs/dbraw/zinc/49/58/24/814495824.db2.gz AUTPLTLJNVLCPJ-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001148903798 814622182 /nfs/dbraw/zinc/62/21/82/814622182.db2.gz GMKMLVWBMIVCGN-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)N1CCCCC1 ZINC000693730502 814628699 /nfs/dbraw/zinc/62/86/99/814628699.db2.gz APZCYIOOWKHRCI-LVQVYYBASA-N 2 1 279.472 2.227 20 0 CEADMP CCc1cccc(-c2noc([C@H]([NH3+])CCC[NH3+])n2)c1 ZINC001247509407 814683664 /nfs/dbraw/zinc/68/36/64/814683664.db2.gz VGXQYUMLPNWZAH-GFCCVEGCSA-N 2 1 260.341 2.038 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001173114733 815583570 /nfs/dbraw/zinc/58/35/70/815583570.db2.gz RUPIGHRQYHSTHH-UYSNPLJNSA-N 2 1 268.445 2.486 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](C)CCC(=O)N(C)C)CC1 ZINC001173113422 815584089 /nfs/dbraw/zinc/58/40/89/815584089.db2.gz PWVBNEBEESNYEB-UHFFFAOYSA-N 2 1 283.460 2.050 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC001173112464 815584269 /nfs/dbraw/zinc/58/42/69/815584269.db2.gz BOFDLZVHPRJSBY-RYTJFDOTSA-N 3 1 279.472 2.133 20 0 CEADMP CC[NH+](CC)C1CCC([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC001173112464 815584272 /nfs/dbraw/zinc/58/42/72/815584272.db2.gz BOFDLZVHPRJSBY-RYTJFDOTSA-N 3 1 279.472 2.133 20 0 CEADMP CC[NH+](CC)C1CCC([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC001173112464 815584276 /nfs/dbraw/zinc/58/42/76/815584276.db2.gz BOFDLZVHPRJSBY-RYTJFDOTSA-N 3 1 279.472 2.133 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H]3CN(C)C[C@H]3C2)CC1 ZINC001173112464 815584284 /nfs/dbraw/zinc/58/42/84/815584284.db2.gz BOFDLZVHPRJSBY-RYTJFDOTSA-N 2 1 279.472 2.133 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2C[C@H]3CN(C)C[C@H]3C2)CC1 ZINC001173112464 815584287 /nfs/dbraw/zinc/58/42/87/815584287.db2.gz BOFDLZVHPRJSBY-RYTJFDOTSA-N 2 1 279.472 2.133 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712454450 814748682 /nfs/dbraw/zinc/74/86/82/814748682.db2.gz WQGSDEVNBTZQKP-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC000712449811 814748987 /nfs/dbraw/zinc/74/89/87/814748987.db2.gz GJRVVARMJWKGFO-KBPBESRZSA-N 2 1 254.418 2.393 20 0 CEADMP Cc1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)[nH]n1 ZINC001116554573 814865097 /nfs/dbraw/zinc/86/50/97/814865097.db2.gz XSQFFTFRBLOYPS-ZDUSSCGKSA-N 2 1 250.390 2.072 20 0 CEADMP CC1(C)CC[C@@H](C[N@@H+]2CCCCC[C@@H]([NH3+])C2)OC1 ZINC000713586722 814865407 /nfs/dbraw/zinc/86/54/07/814865407.db2.gz MYFXXQFHUDOYNA-KGLIPLIRSA-N 2 1 254.418 2.395 20 0 CEADMP CC1(C)CC[C@@H](C[N@H+]2CCCCC[C@@H]([NH3+])C2)OC1 ZINC000713586722 814865413 /nfs/dbraw/zinc/86/54/13/814865413.db2.gz MYFXXQFHUDOYNA-KGLIPLIRSA-N 2 1 254.418 2.395 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCC(C)(C)CO1 ZINC000713596745 814867889 /nfs/dbraw/zinc/86/78/89/814867889.db2.gz NGGXDFCGTOKJTM-ZIAGYGMSSA-N 2 1 256.434 2.497 20 0 CEADMP CCCCOC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714460012 814906567 /nfs/dbraw/zinc/90/65/67/814906567.db2.gz ZMUQRYAQTIFPNF-UHFFFAOYSA-N 2 1 270.417 2.027 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ncsc3C2)CC1 ZINC001173126859 815589486 /nfs/dbraw/zinc/58/94/86/815589486.db2.gz RPOJTUCASXWABW-NEPJUHHUSA-N 2 1 265.426 2.074 20 0 CEADMP CC[C@H]1CC[C@@H]([N@H+]2C[C@@H]3CN(CC)CCO[C@@H]3C2)C1 ZINC001173277261 815667234 /nfs/dbraw/zinc/66/72/34/815667234.db2.gz DXCKLJONSXXZKJ-CAOSSQGBSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)C1 ZINC001173277261 815667236 /nfs/dbraw/zinc/66/72/36/815667236.db2.gz DXCKLJONSXXZKJ-CAOSSQGBSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)C1 ZINC001173277261 815667240 /nfs/dbraw/zinc/66/72/40/815667240.db2.gz DXCKLJONSXXZKJ-CAOSSQGBSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@H]1CC[C@@H]([NH+]2C[C@@H]3C[N@H+](CC)CCO[C@@H]3C2)C1 ZINC001173277261 815667243 /nfs/dbraw/zinc/66/72/43/815667243.db2.gz DXCKLJONSXXZKJ-CAOSSQGBSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@H]1CC[C@@H]([NH+]2C[C@@H]3C[N@@H+](CC)CCO[C@@H]3C2)C1 ZINC001173277261 815667247 /nfs/dbraw/zinc/66/72/47/815667247.db2.gz DXCKLJONSXXZKJ-CAOSSQGBSA-N 2 1 266.429 2.218 20 0 CEADMP CC[N@H+]1CC[C@H](N2CCC([NH3+])(CC3CCC3)CC2)C1 ZINC001173354284 815694503 /nfs/dbraw/zinc/69/45/03/815694503.db2.gz MRDFVLCBUJRQTP-HNNXBMFYSA-N 2 1 265.445 2.064 20 0 CEADMP CC[N@@H+]1CC[C@H](N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001173356756 815697634 /nfs/dbraw/zinc/69/76/34/815697634.db2.gz KIPLCFZZQFAMSX-DLBZAZTESA-N 2 1 273.424 2.069 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001173356756 815697638 /nfs/dbraw/zinc/69/76/38/815697638.db2.gz KIPLCFZZQFAMSX-DLBZAZTESA-N 2 1 273.424 2.069 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001173356756 815697642 /nfs/dbraw/zinc/69/76/42/815697642.db2.gz KIPLCFZZQFAMSX-DLBZAZTESA-N 2 1 273.424 2.069 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001173356756 815697645 /nfs/dbraw/zinc/69/76/45/815697645.db2.gz KIPLCFZZQFAMSX-DLBZAZTESA-N 2 1 273.424 2.069 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(C3Cc4cc(F)c(F)cc4C3)C2)C1 ZINC001173482844 815727711 /nfs/dbraw/zinc/72/77/11/815727711.db2.gz LRWKHVNTVBVWJI-QGZVFWFLSA-N 2 1 292.373 2.460 20 0 CEADMP CC(C)[N@@H+](CCC[NH3+])C1CCN(CC(F)(F)F)CC1 ZINC001173659064 815778701 /nfs/dbraw/zinc/77/87/01/815778701.db2.gz YUSWADQFSUQMBO-UHFFFAOYSA-N 2 1 281.366 2.072 20 0 CEADMP C[C@@H]1CC([NH2+]C(C)(C)C[NH3+])C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173673961 815785155 /nfs/dbraw/zinc/78/51/55/815785155.db2.gz WFAOOOVPMTUNCK-VXGBXAGGSA-N 2 1 299.459 2.490 20 0 CEADMP Cc1cccc(OC[C@H](O)C[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000226393446 816062150 /nfs/dbraw/zinc/06/21/50/816062150.db2.gz FOWSVSZKESKWAG-MRXNPFEDSA-N 2 1 294.439 2.055 20 0 CEADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256977 816163563 /nfs/dbraw/zinc/16/35/63/816163563.db2.gz RILPEZSMBZAPDG-HUUCEWRRSA-N 2 1 283.460 2.145 20 0 CEADMP Cc1nccn1-c1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC001140020702 816168464 /nfs/dbraw/zinc/16/84/64/816168464.db2.gz AKPWIKZUTSCGRM-DYVFJYSZSA-N 2 1 285.391 2.383 20 0 CEADMP C[NH+]1CCN(c2cccc(NC3=CCC[N@@H+](C)C3)c2)CC1 ZINC001175576742 816240512 /nfs/dbraw/zinc/24/05/12/816240512.db2.gz SEONJKMCWYNHOT-UHFFFAOYSA-N 2 1 286.423 2.070 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001176024184 816327125 /nfs/dbraw/zinc/32/71/25/816327125.db2.gz MKJZQNHVHFMWCF-HNNXBMFYSA-N 2 1 297.487 2.393 20 0 CEADMP C[NH+](C)[C@@H]1CCCN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802770 816362904 /nfs/dbraw/zinc/36/29/04/816362904.db2.gz DOEOLDVWLDLZKB-CYBMUJFWSA-N 2 1 258.369 2.089 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC2(CCO2)CC1 ZINC001140807040 816366080 /nfs/dbraw/zinc/36/60/80/816366080.db2.gz JIZRVHFQXBSKOJ-UHFFFAOYSA-N 2 1 257.337 2.318 20 0 CEADMP CCOCC[NH+](CCOCC)Cc1c[nH]c2cc[nH+]cc12 ZINC001140807199 816370631 /nfs/dbraw/zinc/37/06/31/816370631.db2.gz QDMPLTGRKRQUAT-UHFFFAOYSA-N 2 1 291.395 2.438 20 0 CEADMP Cc1nccnc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001140937710 816417783 /nfs/dbraw/zinc/41/77/83/816417783.db2.gz VUFZMNFGZBWSMQ-UHFFFAOYSA-N 2 1 276.428 2.337 20 0 CEADMP Cc1cc(N2CC[NH+](Cc3cnccc3C)CC2)cc[nH+]1 ZINC001141037575 816456079 /nfs/dbraw/zinc/45/60/79/816456079.db2.gz XGLQRPNZPYABOA-UHFFFAOYSA-N 2 1 282.391 2.416 20 0 CEADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cocn2)CC1 ZINC001141129806 816479308 /nfs/dbraw/zinc/47/93/08/816479308.db2.gz MFACILKDENEVOF-UHFFFAOYSA-N 2 1 251.374 2.227 20 0 CEADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cocn2)CC1 ZINC001141129806 816479315 /nfs/dbraw/zinc/47/93/15/816479315.db2.gz MFACILKDENEVOF-UHFFFAOYSA-N 2 1 251.374 2.227 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001176975165 816503537 /nfs/dbraw/zinc/50/35/37/816503537.db2.gz LEGRTYLITQNUBP-HNNXBMFYSA-N 2 1 291.439 2.184 20 0 CEADMP CC1(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)CCOCC1 ZINC001206293233 816519995 /nfs/dbraw/zinc/51/99/95/816519995.db2.gz GUVLPLKIEHMWCD-CQSZACIVSA-N 2 1 254.418 2.254 20 0 CEADMP Cc1ccc(N2CCC[C@@H](OCCC[NH+](C)C)C2)[nH+]c1 ZINC001206297743 816541498 /nfs/dbraw/zinc/54/14/98/816541498.db2.gz XURIJWHTAQMLRG-OAHLLOKOSA-N 2 1 277.412 2.327 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206344470 816791341 /nfs/dbraw/zinc/79/13/41/816791341.db2.gz SMDARBDDDPXICO-MRXNPFEDSA-N 2 1 279.403 2.406 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206344470 816791347 /nfs/dbraw/zinc/79/13/47/816791347.db2.gz SMDARBDDDPXICO-MRXNPFEDSA-N 2 1 279.403 2.406 20 0 CEADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC1CC1 ZINC001178827372 816799015 /nfs/dbraw/zinc/79/90/15/816799015.db2.gz HKPCAPPXPRBGOG-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(Cc3scc4c3OCCO4)C2)C1 ZINC001143191231 816805264 /nfs/dbraw/zinc/80/52/64/816805264.db2.gz XWQUVMRDFAVCJT-HNNXBMFYSA-N 2 1 294.420 2.047 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179592499 816880846 /nfs/dbraw/zinc/88/08/46/816880846.db2.gz FAHOCFTXBCSTAW-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP OC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000124457967 187138398 /nfs/dbraw/zinc/13/83/98/187138398.db2.gz RWNHYCVDMYYUNI-UHFFFAOYSA-N 2 1 288.435 2.198 20 0 CEADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccco1 ZINC000124480492 187139784 /nfs/dbraw/zinc/13/97/84/187139784.db2.gz HGOJBGIZWZQHMQ-AWEZNQCLSA-N 2 1 279.428 2.204 20 0 CEADMP CCC[NH2+][C@@H](C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000449087168 282095136 /nfs/dbraw/zinc/09/51/36/282095136.db2.gz UQRWIYBZTRCPAB-GJZGRUSLSA-N 2 1 283.460 2.145 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(COC)CC2)C1 ZINC000449092042 282097489 /nfs/dbraw/zinc/09/74/89/282097489.db2.gz SLZNNVGGKLPAQG-SHARSMKWSA-N 2 1 254.418 2.123 20 0 CEADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc2c(c1)C[NH2+]C2 ZINC000336330220 365557641 /nfs/dbraw/zinc/55/76/41/365557641.db2.gz LPYGEWXBISBUTK-MRXNPFEDSA-N 2 1 299.418 2.037 20 0 CEADMP CSC1(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000336345219 365560005 /nfs/dbraw/zinc/56/00/05/365560005.db2.gz DUIFWHYHFIBYCH-CYBMUJFWSA-N 2 1 254.443 2.300 20 0 CEADMP CSC1(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000336345219 365560008 /nfs/dbraw/zinc/56/00/08/365560008.db2.gz DUIFWHYHFIBYCH-CYBMUJFWSA-N 2 1 254.443 2.300 20 0 CEADMP CSC1(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000336345219 365560014 /nfs/dbraw/zinc/56/00/14/365560014.db2.gz DUIFWHYHFIBYCH-CYBMUJFWSA-N 2 1 254.443 2.300 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000567638783 299069692 /nfs/dbraw/zinc/06/96/92/299069692.db2.gz CUWDVBZDLUIFAT-SMDDNHRTSA-N 2 1 275.396 2.205 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CCC1 ZINC000449122755 282108974 /nfs/dbraw/zinc/10/89/74/282108974.db2.gz MADZTDLYFOVGCP-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000449123094 282109040 /nfs/dbraw/zinc/10/90/40/282109040.db2.gz MPDUKBTZJKHRTC-UKRRQHHQSA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449126070 282110217 /nfs/dbraw/zinc/11/02/17/282110217.db2.gz UKLFWKJBYHNFHL-CABCVRRESA-N 2 1 297.487 2.391 20 0 CEADMP CCOCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000035098224 361810808 /nfs/dbraw/zinc/81/08/08/361810808.db2.gz JVVLKLVJSFTDOV-UHFFFAOYSA-N 2 1 262.397 2.277 20 0 CEADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000122952131 365632634 /nfs/dbraw/zinc/63/26/34/365632634.db2.gz AKRUNFNVNSGUGD-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CCc1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cn1 ZINC000336558280 365643233 /nfs/dbraw/zinc/64/32/33/365643233.db2.gz UGFPJHXMBLTNQX-GOEBONIOSA-N 2 1 259.397 2.170 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000124213607 365645892 /nfs/dbraw/zinc/64/58/92/365645892.db2.gz WPRYCNKHVHECLD-HZPDHXFCSA-N 2 1 297.487 2.057 20 0 CEADMP CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000083017084 178334634 /nfs/dbraw/zinc/33/46/34/178334634.db2.gz FFTZQALXDONGHA-KGLIPLIRSA-N 2 1 285.476 2.198 20 0 CEADMP Cc1cn2c(C[NH2+]CCC[NH+](C)C)c(C)nc2s1 ZINC000036820531 361860829 /nfs/dbraw/zinc/86/08/29/361860829.db2.gz XKOKBTXRJZUHGG-UHFFFAOYSA-N 2 1 266.414 2.054 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000414171694 282164135 /nfs/dbraw/zinc/16/41/35/282164135.db2.gz DNXOBHAKCPDGQQ-DOMZBBRYSA-N 2 1 276.428 2.476 20 0 CEADMP COC[C@@H]([NH2+]CCCn1cc[nH+]c1C)C1CCCC1 ZINC000338019399 214365033 /nfs/dbraw/zinc/36/50/33/214365033.db2.gz JSMPZXXEYINXPN-OAHLLOKOSA-N 2 1 265.401 2.376 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000125770427 187199345 /nfs/dbraw/zinc/19/93/45/187199345.db2.gz NBGDATQRKOAMTR-SOUVJXGZSA-N 2 1 254.418 2.121 20 0 CEADMP CCCOc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090320553 539182191 /nfs/dbraw/zinc/18/21/91/539182191.db2.gz YNMQFAAZZXESLL-GJZGRUSLSA-N 2 1 260.381 2.127 20 0 CEADMP FC1(F)C[C@H]1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000621733105 349686205 /nfs/dbraw/zinc/68/62/05/349686205.db2.gz BBGPSVKKLSURPJ-TZMCWYRMSA-N 2 1 288.382 2.265 20 0 CEADMP O[C@@]1(C2CC2)CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668558808 539198516 /nfs/dbraw/zinc/19/85/16/539198516.db2.gz VINWNYCPWOUDJS-KRWDZBQOSA-N 2 1 298.390 2.004 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000621784474 349702322 /nfs/dbraw/zinc/70/23/22/349702322.db2.gz PNFMFXWZJYZANB-NVXWUHKLSA-N 2 1 282.391 2.186 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000621784474 349702324 /nfs/dbraw/zinc/70/23/24/349702324.db2.gz PNFMFXWZJYZANB-NVXWUHKLSA-N 2 1 282.391 2.186 20 0 CEADMP COc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cn1 ZINC000621776349 349697896 /nfs/dbraw/zinc/69/78/96/349697896.db2.gz JLCCRRQTVQCVTB-CYBMUJFWSA-N 2 1 275.396 2.054 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000092471238 539232093 /nfs/dbraw/zinc/23/20/93/539232093.db2.gz WMHIABSPGMKIMN-CQSZACIVSA-N 2 1 262.397 2.469 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc(NC(N)=O)cc2)CC1 ZINC000130828844 539222925 /nfs/dbraw/zinc/22/29/25/539222925.db2.gz YVDLFKWEAQIPEH-UHFFFAOYSA-N 2 1 290.411 2.141 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)(C)C)[NH2+]C)[C@@H](C)C1 ZINC000449367019 282202315 /nfs/dbraw/zinc/20/23/15/282202315.db2.gz UGYGQKFEJIRQHX-KKUMJFAQSA-N 2 1 297.487 2.199 20 0 CEADMP CC(=O)N1CCC([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000449381570 282206576 /nfs/dbraw/zinc/20/65/76/282206576.db2.gz ABXSRSZCCDAZCS-KRWDZBQOSA-N 2 1 295.471 2.097 20 0 CEADMP COc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000622043615 349775121 /nfs/dbraw/zinc/77/51/21/349775121.db2.gz FRTMUEVJMMBSHM-XHDPSFHLSA-N 2 1 266.360 2.312 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(O)cc3)CC[C@@H]21 ZINC000131457660 539260984 /nfs/dbraw/zinc/26/09/84/539260984.db2.gz VAKUSYHNCIUERU-HOCLYGCPSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(O)cc3)CC[C@@H]21 ZINC000131457660 539260986 /nfs/dbraw/zinc/26/09/86/539260986.db2.gz VAKUSYHNCIUERU-HOCLYGCPSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(O)cc3)CC[C@@H]21 ZINC000131457660 539260988 /nfs/dbraw/zinc/26/09/88/539260988.db2.gz VAKUSYHNCIUERU-HOCLYGCPSA-N 2 1 260.381 2.308 20 0 CEADMP CCc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cn1 ZINC000352705663 529651815 /nfs/dbraw/zinc/65/18/15/529651815.db2.gz MILKAIQFGXQZTL-OAHLLOKOSA-N 2 1 291.439 2.235 20 0 CEADMP CCc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cn1 ZINC000352705663 529651818 /nfs/dbraw/zinc/65/18/18/529651818.db2.gz MILKAIQFGXQZTL-OAHLLOKOSA-N 2 1 291.439 2.235 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000041635459 362045387 /nfs/dbraw/zinc/04/53/87/362045387.db2.gz FBZGTEAUUVFPIO-UHFFFAOYSA-N 2 1 270.380 2.261 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1cccc(Br)c1 ZINC000042440690 362095390 /nfs/dbraw/zinc/09/53/90/362095390.db2.gz AXAMGHOCROGGAB-UHFFFAOYSA-N 2 1 271.202 2.490 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(Br)c1 ZINC000042440690 362095394 /nfs/dbraw/zinc/09/53/94/362095394.db2.gz AXAMGHOCROGGAB-UHFFFAOYSA-N 2 1 271.202 2.490 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000336623743 365734448 /nfs/dbraw/zinc/73/44/48/365734448.db2.gz QZZNLVRTGAYNIY-UHFFFAOYSA-N 2 1 278.787 2.158 20 0 CEADMP Cc1cccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000126457305 187240777 /nfs/dbraw/zinc/24/07/77/187240777.db2.gz NPJXDXRRGFKWAU-UHFFFAOYSA-N 2 1 289.467 2.453 20 0 CEADMP CCN(CC)c1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)s1 ZINC000044533145 343474006 /nfs/dbraw/zinc/47/40/06/343474006.db2.gz HXILBFZVQSEBRD-CYBMUJFWSA-N 2 1 296.484 2.421 20 0 CEADMP CCN(CC)c1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000044533145 343474008 /nfs/dbraw/zinc/47/40/08/343474008.db2.gz HXILBFZVQSEBRD-CYBMUJFWSA-N 2 1 296.484 2.421 20 0 CEADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CCC[N@H+]3C)ccc21 ZINC000334734288 282271989 /nfs/dbraw/zinc/27/19/89/282271989.db2.gz OMRJYFCEZNPEBP-HOTGVXAUSA-N 2 1 287.407 2.268 20 0 CEADMP CCc1nnc(C[NH+]2CCC(C[NH+](CC)CC)CC2)o1 ZINC000047977166 343523636 /nfs/dbraw/zinc/52/36/36/343523636.db2.gz IBNVMGOYLMYKPS-UHFFFAOYSA-N 2 1 280.416 2.186 20 0 CEADMP CCOC[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351266839 219088695 /nfs/dbraw/zinc/08/86/95/219088695.db2.gz FQJAQGDSTGFVNE-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCOC[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351266839 219088696 /nfs/dbraw/zinc/08/86/96/219088696.db2.gz FQJAQGDSTGFVNE-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCOC[C@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351266839 219088698 /nfs/dbraw/zinc/08/86/98/219088698.db2.gz FQJAQGDSTGFVNE-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCc1nc(C)c(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)o1 ZINC000333787625 529725757 /nfs/dbraw/zinc/72/57/57/529725757.db2.gz FQANZRNMTMSPOL-ZYHUDNBSSA-N 2 1 251.374 2.023 20 0 CEADMP CCOC[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351266838 219089516 /nfs/dbraw/zinc/08/95/16/219089516.db2.gz FQJAQGDSTGFVNE-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCOC[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351266838 219089517 /nfs/dbraw/zinc/08/95/17/219089517.db2.gz FQJAQGDSTGFVNE-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCOC[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351266838 219089519 /nfs/dbraw/zinc/08/95/19/219089519.db2.gz FQJAQGDSTGFVNE-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCOCc1ccccc1 ZINC000336706654 365772055 /nfs/dbraw/zinc/77/20/55/365772055.db2.gz IZOKBDLCMJGILJ-GDBMZVCRSA-N 2 1 262.397 2.262 20 0 CEADMP COC1CCC([N@H+](C)CCn2cc[nH+]c2C)CC1 ZINC000336721744 365784608 /nfs/dbraw/zinc/78/46/08/365784608.db2.gz XZEUBELHVNUVPU-UHFFFAOYSA-N 2 1 251.374 2.081 20 0 CEADMP COC1CCC([N@@H+](C)CCn2cc[nH+]c2C)CC1 ZINC000336721744 365784618 /nfs/dbraw/zinc/78/46/18/365784618.db2.gz XZEUBELHVNUVPU-UHFFFAOYSA-N 2 1 251.374 2.081 20 0 CEADMP CC[C@@H](COC)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000128228147 365781067 /nfs/dbraw/zinc/78/10/67/365781067.db2.gz QEMDZYRKPXZKHV-AWEZNQCLSA-N 2 1 277.412 2.373 20 0 CEADMP c1ccc(COCCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000336725129 365787707 /nfs/dbraw/zinc/78/77/07/365787707.db2.gz XUWAAPBDENUKKF-DLBZAZTESA-N 2 1 274.408 2.135 20 0 CEADMP COc1ccc(OCCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351478950 219100993 /nfs/dbraw/zinc/10/09/93/219100993.db2.gz QCOGEYFCWYGRTR-JQFCIGGWSA-N 2 1 290.407 2.133 20 0 CEADMP COCCCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081630618 344060751 /nfs/dbraw/zinc/06/07/51/344060751.db2.gz VPIRECHWZUBBOX-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP COCCCCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081630618 344060753 /nfs/dbraw/zinc/06/07/53/344060753.db2.gz VPIRECHWZUBBOX-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP COCCCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081630618 344060755 /nfs/dbraw/zinc/06/07/55/344060755.db2.gz VPIRECHWZUBBOX-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1nccs1 ZINC000091723109 344170730 /nfs/dbraw/zinc/17/07/30/344170730.db2.gz IVWHYSJCVAERSY-CHWSQXEVSA-N 2 1 283.441 2.031 20 0 CEADMP COc1cccc(OCCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000090060424 344135280 /nfs/dbraw/zinc/13/52/80/344135280.db2.gz PGGAWPHUJCQUML-YOEHRIQHSA-N 2 1 292.423 2.394 20 0 CEADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000090722616 344142954 /nfs/dbraw/zinc/14/29/54/344142954.db2.gz JALIAJXGZBQANJ-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP CCc1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000093088630 344214052 /nfs/dbraw/zinc/21/40/52/344214052.db2.gz QVNHAUVMEYJCMU-UHFFFAOYSA-N 2 1 267.442 2.479 20 0 CEADMP C[N@@H+](CCCN[C@@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000093209735 344216289 /nfs/dbraw/zinc/21/62/89/344216289.db2.gz SGIDENLHQQOGLZ-DLBZAZTESA-N 2 1 275.440 2.368 20 0 CEADMP C[N@H+](CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000093209735 344216291 /nfs/dbraw/zinc/21/62/91/344216291.db2.gz SGIDENLHQQOGLZ-DLBZAZTESA-N 3 1 275.440 2.368 20 0 CEADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000093209735 344216293 /nfs/dbraw/zinc/21/62/93/344216293.db2.gz SGIDENLHQQOGLZ-DLBZAZTESA-N 3 1 275.440 2.368 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2nc(C)ccc2O)C1 ZINC000093742020 344228962 /nfs/dbraw/zinc/22/89/62/344228962.db2.gz KVMVHYAPHYXGKP-CQSZACIVSA-N 2 1 277.412 2.259 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2nc(C)ccc2O)C1 ZINC000093742020 344228963 /nfs/dbraw/zinc/22/89/63/344228963.db2.gz KVMVHYAPHYXGKP-CQSZACIVSA-N 2 1 277.412 2.259 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2nc(C)ccc2O)C1 ZINC000093742020 344228965 /nfs/dbraw/zinc/22/89/65/344228965.db2.gz KVMVHYAPHYXGKP-CQSZACIVSA-N 2 1 277.412 2.259 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2nc(C)ccc2O)C1 ZINC000093742020 344228967 /nfs/dbraw/zinc/22/89/67/344228967.db2.gz KVMVHYAPHYXGKP-CQSZACIVSA-N 2 1 277.412 2.259 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccs1 ZINC000049530470 362369941 /nfs/dbraw/zinc/36/99/41/362369941.db2.gz WXRPNGMNTFZAOI-QWHCGFSZSA-N 2 1 268.426 2.246 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000124521113 344315153 /nfs/dbraw/zinc/31/51/53/344315153.db2.gz YXRUWPGVQQWTBN-GJZGRUSLSA-N 2 1 262.397 2.494 20 0 CEADMP COC1CCC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000130029114 344348682 /nfs/dbraw/zinc/34/86/82/344348682.db2.gz VTNDTMVDATVPCH-WLYUNCDWSA-N 2 1 254.418 2.264 20 0 CEADMP CCc1cc(NCCC[N@@H+](C)C(C)C)nc(C)n1 ZINC000227865060 344556887 /nfs/dbraw/zinc/55/68/87/344556887.db2.gz XROBIQROHZVVPA-UHFFFAOYSA-N 2 1 250.390 2.490 20 0 CEADMP CCc1cc(NCCC[N@H+](C)C(C)C)nc(C)[nH+]1 ZINC000227865060 344556890 /nfs/dbraw/zinc/55/68/90/344556890.db2.gz XROBIQROHZVVPA-UHFFFAOYSA-N 2 1 250.390 2.490 20 0 CEADMP CCc1cc(NCCC[N@@H+](C)C(C)C)nc(C)[nH+]1 ZINC000227865060 344556893 /nfs/dbraw/zinc/55/68/93/344556893.db2.gz XROBIQROHZVVPA-UHFFFAOYSA-N 2 1 250.390 2.490 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(F)c1 ZINC000228597217 344561635 /nfs/dbraw/zinc/56/16/35/344561635.db2.gz OVNLVZHARSPFMQ-LBPRGKRZSA-N 2 1 266.360 2.266 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(F)c1 ZINC000228597217 344561637 /nfs/dbraw/zinc/56/16/37/344561637.db2.gz OVNLVZHARSPFMQ-LBPRGKRZSA-N 2 1 266.360 2.266 20 0 CEADMP CC[N@@H+](CCNC(=O)CC[C@H]([NH3+])c1ccccc1)C(C)C ZINC000236857819 344597739 /nfs/dbraw/zinc/59/77/39/344597739.db2.gz KMKPQBWHLGXTOQ-INIZCTEOSA-N 2 1 291.439 2.313 20 0 CEADMP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)CC1CCCC1 ZINC000232129325 344576798 /nfs/dbraw/zinc/57/67/98/344576798.db2.gz VLHGHNIORGCNSZ-HOCLYGCPSA-N 2 1 266.429 2.002 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000233517163 344581525 /nfs/dbraw/zinc/58/15/25/344581525.db2.gz IXJQMMXZYQEMIJ-CYBMUJFWSA-N 2 1 294.370 2.044 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000233517163 344581527 /nfs/dbraw/zinc/58/15/27/344581527.db2.gz IXJQMMXZYQEMIJ-CYBMUJFWSA-N 2 1 294.370 2.044 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)C(C)C)CC1 ZINC000052208822 362470081 /nfs/dbraw/zinc/47/00/81/362470081.db2.gz HLKRIRRBRDOJDE-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP CC[NH+](CC)CCCN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249081377 344627962 /nfs/dbraw/zinc/62/79/62/344627962.db2.gz ADPKZRDQRNOLKB-GJZGRUSLSA-N 2 1 255.450 2.133 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]([NH3+])C[C@H]2C)c1C ZINC000250882874 344634894 /nfs/dbraw/zinc/63/48/94/344634894.db2.gz WTWNZSDAPHYDJC-DGCLKSJQSA-N 2 1 263.385 2.019 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1)O[C@H](C)C2 ZINC000252770700 344641872 /nfs/dbraw/zinc/64/18/72/344641872.db2.gz IBSRARFEPXUZJF-AGIUHOORSA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)O[C@H](C)C2 ZINC000252770700 344641874 /nfs/dbraw/zinc/64/18/74/344641874.db2.gz IBSRARFEPXUZJF-AGIUHOORSA-N 2 1 290.407 2.188 20 0 CEADMP C[C@@H]1C[C@H](N2CCC[C@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000307691338 344724289 /nfs/dbraw/zinc/72/42/89/344724289.db2.gz PEIVLPYTZYARDB-PVAVHDDUSA-N 2 1 273.424 2.073 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCOCc1ccccc1 ZINC000309963745 344730079 /nfs/dbraw/zinc/73/00/79/344730079.db2.gz JSHGPDBRAKJEHH-GOEBONIOSA-N 2 1 262.397 2.405 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCCC1CCOCC1 ZINC000302301736 344703463 /nfs/dbraw/zinc/70/34/63/344703463.db2.gz ZSMDRMXTRXTGNR-UKRRQHHQSA-N 2 1 254.418 2.395 20 0 CEADMP COC(=O)c1csc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000602558479 347076597 /nfs/dbraw/zinc/07/65/97/347076597.db2.gz BJCWGWSLCNPVEG-CMPLNLGQSA-N 2 1 282.409 2.107 20 0 CEADMP COC(=O)c1csc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000602558479 347076599 /nfs/dbraw/zinc/07/65/99/347076599.db2.gz BJCWGWSLCNPVEG-CMPLNLGQSA-N 2 1 282.409 2.107 20 0 CEADMP COc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1Cl ZINC000401754051 344869718 /nfs/dbraw/zinc/86/97/18/344869718.db2.gz PRSCBUPSWKOXEU-UHFFFAOYSA-N 2 1 279.771 2.414 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1csc2ccccc12 ZINC000568050122 299114002 /nfs/dbraw/zinc/11/40/02/299114002.db2.gz LQTFDGMDJPUALQ-HNNXBMFYSA-N 2 1 278.421 2.304 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1csc2ccccc12 ZINC000568050122 299114005 /nfs/dbraw/zinc/11/40/05/299114005.db2.gz LQTFDGMDJPUALQ-HNNXBMFYSA-N 2 1 278.421 2.304 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)C(C)(C)C ZINC000336785781 365803613 /nfs/dbraw/zinc/80/36/13/365803613.db2.gz GDCHQZRCJNGFBF-KBPBESRZSA-N 2 1 256.434 2.200 20 0 CEADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](O)C[NH+](C)C ZINC000305735971 201785771 /nfs/dbraw/zinc/78/57/71/201785771.db2.gz SLUBSVVMECDNCC-UMVBOHGHSA-N 2 1 262.397 2.055 20 0 CEADMP CCC[N@@H+](CC)C[C@H](O)CN(C)Cc1ccccc1 ZINC000590126665 345115832 /nfs/dbraw/zinc/11/58/32/345115832.db2.gz VBOHAZLCTHVWOX-MRXNPFEDSA-N 2 1 264.413 2.211 20 0 CEADMP Cc1nnc([C@H](C)N2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000590786126 345181340 /nfs/dbraw/zinc/18/13/40/345181340.db2.gz AQGXXKYUXJTKNB-LBPRGKRZSA-N 2 1 280.416 2.491 20 0 CEADMP Cc1nnc([C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000590786126 345181341 /nfs/dbraw/zinc/18/13/41/345181341.db2.gz AQGXXKYUXJTKNB-LBPRGKRZSA-N 2 1 280.416 2.491 20 0 CEADMP Cc1nnc([C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000590786126 345181342 /nfs/dbraw/zinc/18/13/42/345181342.db2.gz AQGXXKYUXJTKNB-LBPRGKRZSA-N 2 1 280.416 2.491 20 0 CEADMP CCOC(=O)CC[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000591272456 345236824 /nfs/dbraw/zinc/23/68/24/345236824.db2.gz ODEMGGVUIJPTDA-CABCVRRESA-N 2 1 284.444 2.415 20 0 CEADMP CCOC(=O)CC[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000591272456 345236827 /nfs/dbraw/zinc/23/68/27/345236827.db2.gz ODEMGGVUIJPTDA-CABCVRRESA-N 2 1 284.444 2.415 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478943 345358840 /nfs/dbraw/zinc/35/88/40/345358840.db2.gz MRHXOGYKOBSSNN-HUUCEWRRSA-N 2 1 282.428 2.184 20 0 CEADMP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492326 345360278 /nfs/dbraw/zinc/36/02/78/345360278.db2.gz YJCHMKPVCDEALZ-OWCLPIDISA-N 2 1 296.455 2.430 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000592495548 345360305 /nfs/dbraw/zinc/36/03/05/345360305.db2.gz LTAQWVOEOJMNII-BMFZPTHFSA-N 2 1 294.439 2.040 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000592495548 345360308 /nfs/dbraw/zinc/36/03/08/345360308.db2.gz LTAQWVOEOJMNII-BMFZPTHFSA-N 2 1 294.439 2.040 20 0 CEADMP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492323 345360383 /nfs/dbraw/zinc/36/03/83/345360383.db2.gz YJCHMKPVCDEALZ-ARFHVFGLSA-N 2 1 296.455 2.430 20 0 CEADMP c1[nH]nc2c1cccc2C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597406 232183967 /nfs/dbraw/zinc/18/39/67/232183967.db2.gz OJQQXJVVMHQVDG-AWEZNQCLSA-N 2 1 284.407 2.481 20 0 CEADMP CCOC(=O)[C@H]([NH2+]CC1CC[NH2+]CC1)C1CCCCCC1 ZINC000594583615 345651407 /nfs/dbraw/zinc/65/14/07/345651407.db2.gz YTQNZGUCVYGJMM-MRXNPFEDSA-N 2 1 296.455 2.478 20 0 CEADMP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1O ZINC000057994084 362603848 /nfs/dbraw/zinc/60/38/48/362603848.db2.gz LSJZDIVIOJCQPY-ZDUSSCGKSA-N 2 1 278.396 2.222 20 0 CEADMP C[C@@H](C[NH2+]Cc1cccc2c1OCO2)C[NH+]1CCCC1 ZINC000057994528 362604499 /nfs/dbraw/zinc/60/44/99/362604499.db2.gz RBHFGTPIXMDNOA-ZDUSSCGKSA-N 2 1 276.380 2.237 20 0 CEADMP C[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000595068158 345738730 /nfs/dbraw/zinc/73/87/30/345738730.db2.gz JIGVOKJCLLTQFS-GUXCAODWSA-N 2 1 298.496 2.140 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000594921690 345702494 /nfs/dbraw/zinc/70/24/94/345702494.db2.gz RAOFBMXAGXYEJR-KLHDSHLOSA-N 2 1 296.455 2.428 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000594921690 345702495 /nfs/dbraw/zinc/70/24/95/345702495.db2.gz RAOFBMXAGXYEJR-KLHDSHLOSA-N 2 1 296.455 2.428 20 0 CEADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000595020914 345728684 /nfs/dbraw/zinc/72/86/84/345728684.db2.gz VPGDGUDUWSCJQL-UONOGXRCSA-N 2 1 284.444 2.286 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)CC1 ZINC000595312854 345760958 /nfs/dbraw/zinc/76/09/58/345760958.db2.gz NSLPECXZHXNNNU-XMTFNYHQSA-N 2 1 291.483 2.134 20 0 CEADMP CC(C)(C)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000596676638 346075669 /nfs/dbraw/zinc/07/56/69/346075669.db2.gz WQUUEGCFRSVVBD-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP CCC[N@H+](CC)CC[NH2+]C1CCC(CC(=O)OC)CC1 ZINC000599032761 346449854 /nfs/dbraw/zinc/44/98/54/346449854.db2.gz WIHWPESYBNQRGX-UHFFFAOYSA-N 2 1 284.444 2.430 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+]C1CCC(CC(=O)OC)CC1 ZINC000599032761 346449859 /nfs/dbraw/zinc/44/98/59/346449859.db2.gz WIHWPESYBNQRGX-UHFFFAOYSA-N 2 1 284.444 2.430 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000599036887 346450253 /nfs/dbraw/zinc/45/02/53/346450253.db2.gz YPJYZDBYNPWGEX-URGYJCLVSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000599036887 346450257 /nfs/dbraw/zinc/45/02/57/346450257.db2.gz YPJYZDBYNPWGEX-URGYJCLVSA-N 2 1 282.428 2.181 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000599045587 346451910 /nfs/dbraw/zinc/45/19/10/346451910.db2.gz IKTPVOOTTRJORF-HZSPNIEDSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)CC1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000599049176 346452306 /nfs/dbraw/zinc/45/23/06/346452306.db2.gz NGZRNSQQTAGGLR-PCKAHOCUSA-N 2 1 296.455 2.430 20 0 CEADMP CCOC(=O)C1CCC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000599069760 346456172 /nfs/dbraw/zinc/45/61/72/346456172.db2.gz ITFYDUOSLJCHEM-QQFBHYJXSA-N 2 1 296.455 2.430 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCOCC(F)(F)F ZINC000063196389 362758760 /nfs/dbraw/zinc/75/87/60/362758760.db2.gz XKCGHADMBDEHCX-MNOVXSKESA-N 2 1 268.323 2.157 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000336799392 365825746 /nfs/dbraw/zinc/82/57/46/365825746.db2.gz IKYBSHFSTZHSGH-HUUCEWRRSA-N 2 1 262.401 2.004 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000336799392 365825756 /nfs/dbraw/zinc/82/57/56/365825756.db2.gz IKYBSHFSTZHSGH-HUUCEWRRSA-N 2 1 262.401 2.004 20 0 CEADMP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]2CCO[C@@H]21 ZINC000085634889 179109280 /nfs/dbraw/zinc/10/92/80/179109280.db2.gz UCYUEIDKNHHYCD-KFWWJZLASA-N 2 1 264.413 2.016 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000336801556 365832687 /nfs/dbraw/zinc/83/26/87/365832687.db2.gz QNBOFGYKYOOOML-HOTGVXAUSA-N 2 1 267.461 2.277 20 0 CEADMP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000129588963 365875310 /nfs/dbraw/zinc/87/53/10/365875310.db2.gz DXBLINHSUIWTSE-ZNMIVQPWSA-N 2 1 292.423 2.392 20 0 CEADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000528009657 313224546 /nfs/dbraw/zinc/22/45/46/313224546.db2.gz WRVJLEKURSLTBY-NWJSVONSSA-N 2 1 252.402 2.015 20 0 CEADMP Cc1nccn1CC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000336824108 365880429 /nfs/dbraw/zinc/88/04/29/365880429.db2.gz STFYOCAIWKXVQZ-CABCVRRESA-N 2 1 295.452 2.178 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000336824108 365880435 /nfs/dbraw/zinc/88/04/35/365880435.db2.gz STFYOCAIWKXVQZ-CABCVRRESA-N 2 1 295.452 2.178 20 0 CEADMP O=C(Nc1ccc2nccn2c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000606583371 347482368 /nfs/dbraw/zinc/48/23/68/347482368.db2.gz YQFBNAVYGSHJIU-KGLIPLIRSA-N 2 1 299.378 2.083 20 0 CEADMP COC(=O)CCC[NH+]1CCC(NCc2ccoc2C)CC1 ZINC000611409734 347774832 /nfs/dbraw/zinc/77/48/32/347774832.db2.gz RVDKYZMTQQKHRT-UHFFFAOYSA-N 2 1 294.395 2.095 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351860300 219228819 /nfs/dbraw/zinc/22/88/19/219228819.db2.gz GPWVFKAPCMIOML-IPYPFGDCSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351860300 219228820 /nfs/dbraw/zinc/22/88/20/219228820.db2.gz GPWVFKAPCMIOML-IPYPFGDCSA-N 2 1 289.423 2.245 20 0 CEADMP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000611782075 347816420 /nfs/dbraw/zinc/81/64/20/347816420.db2.gz FZAQOEMINDZGJY-LSDHHAIUSA-N 2 1 293.411 2.498 20 0 CEADMP CCOC(=O)[C@@H](CC(C)C)N1CCC[C@H](n2ccnc2)C1 ZINC000611782075 347816425 /nfs/dbraw/zinc/81/64/25/347816425.db2.gz FZAQOEMINDZGJY-LSDHHAIUSA-N 2 1 293.411 2.498 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC)c2)CC1 ZINC000611540041 347793010 /nfs/dbraw/zinc/79/30/10/347793010.db2.gz ZIEKGRXDNKUOED-UHFFFAOYSA-N 2 1 290.407 2.437 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCC[NH+](CC)CC ZINC000351904369 219243435 /nfs/dbraw/zinc/24/34/35/219243435.db2.gz GOGDSODJOUUXAK-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP CC/C=C\CC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000613449593 348050041 /nfs/dbraw/zinc/05/00/41/348050041.db2.gz FIUUFMWQRQDYLJ-OSJSJHBBSA-N 2 1 279.472 2.443 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000459635418 290201266 /nfs/dbraw/zinc/20/12/66/290201266.db2.gz PZKLLYKBZCFTLF-TUVASFSCSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@H+](C[C@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000309823463 539616940 /nfs/dbraw/zinc/61/69/40/539616940.db2.gz ARIJKMSMBPWCHO-KRWDZBQOSA-N 2 1 287.451 2.192 20 0 CEADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000309823463 539616943 /nfs/dbraw/zinc/61/69/43/539616943.db2.gz ARIJKMSMBPWCHO-KRWDZBQOSA-N 2 1 287.451 2.192 20 0 CEADMP C[N@H+](C[C@@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000309823464 539617333 /nfs/dbraw/zinc/61/73/33/539617333.db2.gz ARIJKMSMBPWCHO-QGZVFWFLSA-N 2 1 287.451 2.192 20 0 CEADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000309823464 539617340 /nfs/dbraw/zinc/61/73/40/539617340.db2.gz ARIJKMSMBPWCHO-QGZVFWFLSA-N 2 1 287.451 2.192 20 0 CEADMP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)[NH+](CC)CC ZINC000615616492 348361892 /nfs/dbraw/zinc/36/18/92/348361892.db2.gz JXDSAYHLUCLATK-RDJZCZTQSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](O)C[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000128890448 187397066 /nfs/dbraw/zinc/39/70/66/187397066.db2.gz LQIRCBNWINCHBI-KRWDZBQOSA-N 2 1 276.424 2.354 20 0 CEADMP CC[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000128890448 187397067 /nfs/dbraw/zinc/39/70/67/187397067.db2.gz LQIRCBNWINCHBI-KRWDZBQOSA-N 2 1 276.424 2.354 20 0 CEADMP CC[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000128890448 187397068 /nfs/dbraw/zinc/39/70/68/187397068.db2.gz LQIRCBNWINCHBI-KRWDZBQOSA-N 2 1 276.424 2.354 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOCC2CC2)[C@@H]2CCC[C@H]21 ZINC000367619506 290217304 /nfs/dbraw/zinc/21/73/04/290217304.db2.gz WTFMNIZDLHFWMQ-HRCADAONSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H](C[NH+]1CCCCC1)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623355575 349996957 /nfs/dbraw/zinc/99/69/57/349996957.db2.gz OSUFOGJGXVYCKX-GJZGRUSLSA-N 2 1 267.461 2.323 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617000363 348604553 /nfs/dbraw/zinc/60/45/53/348604553.db2.gz YRCWFNAXHBRVLG-UONOGXRCSA-N 2 1 297.487 2.390 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)C1CCCC1 ZINC000617506007 348717956 /nfs/dbraw/zinc/71/79/56/348717956.db2.gz XPOGZOZGWIPQDY-GJZGRUSLSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)C1CCCC1 ZINC000617506007 348717957 /nfs/dbraw/zinc/71/79/57/348717957.db2.gz XPOGZOZGWIPQDY-GJZGRUSLSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1CCCC1 ZINC000617506008 348718215 /nfs/dbraw/zinc/71/82/15/348718215.db2.gz XPOGZOZGWIPQDY-LSDHHAIUSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1CCCC1 ZINC000617506008 348718217 /nfs/dbraw/zinc/71/82/17/348718217.db2.gz XPOGZOZGWIPQDY-LSDHHAIUSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(C)CCC[C@H]1C ZINC000617508067 348718840 /nfs/dbraw/zinc/71/88/40/348718840.db2.gz UAOKGPKLALADKG-VYDXJSESSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(C)CCC[C@H]1C ZINC000617508067 348718842 /nfs/dbraw/zinc/71/88/42/348718842.db2.gz UAOKGPKLALADKG-VYDXJSESSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N(CC)[C@H]1CC[N@@H+](C)C1 ZINC000617555998 348732510 /nfs/dbraw/zinc/73/25/10/348732510.db2.gz HOXBFELFBCMTDU-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCC1([NH+](C)C)CCCC1 ZINC000339263315 539680852 /nfs/dbraw/zinc/68/08/52/539680852.db2.gz GNVSQFVSWVXJDU-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1CCC[N@@H+](CCNC(=O)CC[NH+]2CCCC[C@@H]2C)C1 ZINC000339261603 539678740 /nfs/dbraw/zinc/67/87/40/539678740.db2.gz JVIJUQYYLNDTCV-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCC[NH+](CCNC(=O)CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000339261603 539678744 /nfs/dbraw/zinc/67/87/44/539678744.db2.gz JVIJUQYYLNDTCV-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCC[NH+](CCNC(=O)CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000339261603 539678746 /nfs/dbraw/zinc/67/87/46/539678746.db2.gz JVIJUQYYLNDTCV-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCc2c[nH+]cn2C)C1 ZINC000459362959 539689556 /nfs/dbraw/zinc/68/95/56/539689556.db2.gz HTYXDEYUBBBCLL-HLLBOEOZSA-N 2 1 290.455 2.300 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CCc2c[nH+]cn2C)C1 ZINC000459362959 539689560 /nfs/dbraw/zinc/68/95/60/539689560.db2.gz HTYXDEYUBBBCLL-HLLBOEOZSA-N 2 1 290.455 2.300 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](C2CCCCC2)C1 ZINC000068527474 362943619 /nfs/dbraw/zinc/94/36/19/362943619.db2.gz OUCHVKFIECBLFR-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000068527474 362943627 /nfs/dbraw/zinc/94/36/27/362943627.db2.gz OUCHVKFIECBLFR-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000068527474 362943634 /nfs/dbraw/zinc/94/36/34/362943634.db2.gz OUCHVKFIECBLFR-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCc2cncs2)CC[N@@H+]1C ZINC000411320019 233237103 /nfs/dbraw/zinc/23/71/03/233237103.db2.gz BJGDEQVBWSTWGF-NWDGAFQWSA-N 2 1 253.415 2.100 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCc2cncs2)CC[N@H+]1C ZINC000411320019 233237106 /nfs/dbraw/zinc/23/71/06/233237106.db2.gz BJGDEQVBWSTWGF-NWDGAFQWSA-N 2 1 253.415 2.100 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CCc2cncs2)CC[NH+]1C ZINC000411320019 233237107 /nfs/dbraw/zinc/23/71/07/233237107.db2.gz BJGDEQVBWSTWGF-NWDGAFQWSA-N 2 1 253.415 2.100 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCc2cncs2)CC[NH+]1C ZINC000411320019 233237111 /nfs/dbraw/zinc/23/71/11/233237111.db2.gz BJGDEQVBWSTWGF-NWDGAFQWSA-N 2 1 253.415 2.100 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNCc2cnc3ccccn23)C1 ZINC000620762248 349430667 /nfs/dbraw/zinc/43/06/67/349430667.db2.gz YXICQXILQMCZFW-CQSZACIVSA-N 2 1 272.396 2.154 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc3ccccn23)C1 ZINC000620762248 349430669 /nfs/dbraw/zinc/43/06/69/349430669.db2.gz YXICQXILQMCZFW-CQSZACIVSA-N 2 1 272.396 2.154 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc3ccccn23)C1 ZINC000620762248 349430671 /nfs/dbraw/zinc/43/06/71/349430671.db2.gz YXICQXILQMCZFW-CQSZACIVSA-N 2 1 272.396 2.154 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2O)CC1(C)C ZINC000623394859 350007764 /nfs/dbraw/zinc/00/77/64/350007764.db2.gz VMZMXFZODJQSNT-AWEZNQCLSA-N 2 1 262.397 2.397 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCCCO1 ZINC000623486864 350032514 /nfs/dbraw/zinc/03/25/14/350032514.db2.gz LKWRAGMFTVSZKG-MELADBBJSA-N 2 1 254.418 2.406 20 0 CEADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623454633 350025737 /nfs/dbraw/zinc/02/57/37/350025737.db2.gz MPPPEFQFBSUJLG-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)CC1(C)C ZINC000623478186 350029833 /nfs/dbraw/zinc/02/98/33/350029833.db2.gz CLIQQHUCDBMYFB-HOTGVXAUSA-N 2 1 294.414 2.192 20 0 CEADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623483538 350031448 /nfs/dbraw/zinc/03/14/48/350031448.db2.gz JTSAVVJWNHFCBG-OAHLLOKOSA-N 2 1 292.471 2.432 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000623657425 350077327 /nfs/dbraw/zinc/07/73/27/350077327.db2.gz QKMKCOOWCUITBJ-LXTVHRRPSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H](O)C(C)C ZINC000623550737 350048206 /nfs/dbraw/zinc/04/82/06/350048206.db2.gz ZWCKTSOZNJMZDW-IHRRRGAJSA-N 2 1 256.434 2.244 20 0 CEADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623724726 350093421 /nfs/dbraw/zinc/09/34/21/350093421.db2.gz STFIGCMZKXFQPO-XVIXHAIJSA-N 2 1 254.418 2.261 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000090720169 180030354 /nfs/dbraw/zinc/03/03/54/180030354.db2.gz ZORRZQYXXDHPAE-OCCSQVGLSA-N 2 1 276.380 2.030 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000090720169 180030356 /nfs/dbraw/zinc/03/03/56/180030356.db2.gz ZORRZQYXXDHPAE-OCCSQVGLSA-N 2 1 276.380 2.030 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CCCCO2)C1 ZINC000623879665 350132935 /nfs/dbraw/zinc/13/29/35/350132935.db2.gz MCPLYZNKRPHTIA-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[N@@H+](C)CCNc1nc2ccccc2n2cncc12 ZINC000623927844 350145705 /nfs/dbraw/zinc/14/57/05/350145705.db2.gz WWSYYDLWVJCXQI-UHFFFAOYSA-N 2 1 283.379 2.057 20 0 CEADMP C[N@H+]1CC=C(C[NH2+][C@H]2CCCc3scnc32)CC1 ZINC000623928401 350145810 /nfs/dbraw/zinc/14/58/10/350145810.db2.gz OTDCLQKPSYKKQX-LBPRGKRZSA-N 2 1 263.410 2.372 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3scnc32)CC1 ZINC000623928401 350145815 /nfs/dbraw/zinc/14/58/15/350145815.db2.gz OTDCLQKPSYKKQX-LBPRGKRZSA-N 2 1 263.410 2.372 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CCCCO1 ZINC000623971288 350158240 /nfs/dbraw/zinc/15/82/40/350158240.db2.gz PVSNNYURXZJGQM-OWCLPIDISA-N 2 1 284.444 2.035 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CCCCO1 ZINC000623971288 350158244 /nfs/dbraw/zinc/15/82/44/350158244.db2.gz PVSNNYURXZJGQM-OWCLPIDISA-N 2 1 284.444 2.035 20 0 CEADMP C([NH2+]C1C2CC3CC(C2)CC1C3)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662767 180219451 /nfs/dbraw/zinc/21/94/51/180219451.db2.gz CIGLKDYRFCXAER-LXWWYSJOSA-N 2 1 290.451 2.264 20 0 CEADMP C([NH2+]C1C2CC3CC(C2)CC1C3)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662767 180219452 /nfs/dbraw/zinc/21/94/52/180219452.db2.gz CIGLKDYRFCXAER-LXWWYSJOSA-N 2 1 290.451 2.264 20 0 CEADMP C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C1CCC([NH3+])CC1 ZINC000091847798 180271405 /nfs/dbraw/zinc/27/14/05/180271405.db2.gz MUAUUDXPNBSBEZ-UHFFFAOYSA-N 2 1 297.349 2.105 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000105875612 186082438 /nfs/dbraw/zinc/08/24/38/186082438.db2.gz NLKJFUWQGDTGAX-HNNXBMFYSA-N 2 1 277.412 2.244 20 0 CEADMP CCO[C@@H](C[N@H+](C)C1CC[NH+](CC)CC1)C1CC1 ZINC000625205762 350428449 /nfs/dbraw/zinc/42/84/49/350428449.db2.gz DBWMZYBHIBMMOH-HNNXBMFYSA-N 2 1 254.418 2.218 20 0 CEADMP CCO[C@@H](C[N@@H+](C)C1CC[NH+](CC)CC1)C1CC1 ZINC000625205762 350428451 /nfs/dbraw/zinc/42/84/51/350428451.db2.gz DBWMZYBHIBMMOH-HNNXBMFYSA-N 2 1 254.418 2.218 20 0 CEADMP CCc1nn(C)cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000092371802 180371147 /nfs/dbraw/zinc/37/11/47/180371147.db2.gz YTRPWBWULGWAQL-UHFFFAOYSA-N 2 1 278.444 2.335 20 0 CEADMP CCO[C@H](C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C)C1CC1 ZINC000625255939 350442941 /nfs/dbraw/zinc/44/29/41/350442941.db2.gz OZDNTLVVDXVPBZ-NUEKZKHPSA-N 2 1 268.445 2.464 20 0 CEADMP CCO[C@H](C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)C1CC1 ZINC000625255939 350442942 /nfs/dbraw/zinc/44/29/42/350442942.db2.gz OZDNTLVVDXVPBZ-NUEKZKHPSA-N 2 1 268.445 2.464 20 0 CEADMP CCO[C@H](C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)C1CC1 ZINC000625255939 350442943 /nfs/dbraw/zinc/44/29/43/350442943.db2.gz OZDNTLVVDXVPBZ-NUEKZKHPSA-N 2 1 268.445 2.464 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000625832585 350581571 /nfs/dbraw/zinc/58/15/71/350581571.db2.gz VQYXJKQXXUHFBY-GDBMZVCRSA-N 2 1 268.445 2.392 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000625832979 350581658 /nfs/dbraw/zinc/58/16/58/350581658.db2.gz ZRSXAOPPPGIMPI-HNNXBMFYSA-N 2 1 265.401 2.112 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626014636 350629253 /nfs/dbraw/zinc/62/92/53/350629253.db2.gz NMWFONZGZQLFGR-JKSUJKDBSA-N 2 1 277.412 2.066 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626014636 350629255 /nfs/dbraw/zinc/62/92/55/350629255.db2.gz NMWFONZGZQLFGR-JKSUJKDBSA-N 2 1 277.412 2.066 20 0 CEADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000568992143 299173124 /nfs/dbraw/zinc/17/31/24/299173124.db2.gz XFEKOXIOOKTYDC-FRKNIRMPSA-N 2 1 288.435 2.366 20 0 CEADMP CN(CCC[N@@H+](C)C[C@]1(C)CCCS1)CC[NH+](C)C ZINC000628283541 351040766 /nfs/dbraw/zinc/04/07/66/351040766.db2.gz ZXURTNRNERCBQT-HNNXBMFYSA-N 2 1 287.517 2.087 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000628747194 351179280 /nfs/dbraw/zinc/17/92/80/351179280.db2.gz AGRSXAGRVNVBRY-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC23CCOCC3)C[NH2+]1 ZINC000629543049 351404032 /nfs/dbraw/zinc/40/40/32/351404032.db2.gz RPPPLUZTRNYKCC-MCIONIFRSA-N 2 1 252.402 2.066 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629651126 351449548 /nfs/dbraw/zinc/44/95/48/351449548.db2.gz AAJNBYXNIGOKSG-ZDUSSCGKSA-N 2 1 258.365 2.004 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629651126 351449551 /nfs/dbraw/zinc/44/95/51/351449551.db2.gz AAJNBYXNIGOKSG-ZDUSSCGKSA-N 2 1 258.365 2.004 20 0 CEADMP COc1ccc2oc(C[NH2+]CC3([NH3+])CCOCC3)cc2c1 ZINC000629655832 351452276 /nfs/dbraw/zinc/45/22/76/351452276.db2.gz YYSFYRNTXOXGQX-UHFFFAOYSA-N 2 1 290.363 2.039 20 0 CEADMP c1ccc2c(c1)C=C(C[N@@H+]1CC[C@H]3[NH2+]CC[C@@H]3C1)CO2 ZINC000629655841 351452615 /nfs/dbraw/zinc/45/26/15/351452615.db2.gz XLAWJJUMOZMXLN-HZPDHXFCSA-N 2 1 270.376 2.146 20 0 CEADMP c1ccc2c(c1)C=C(C[N@H+]1CC[C@H]3[NH2+]CC[C@@H]3C1)CO2 ZINC000629655841 351452617 /nfs/dbraw/zinc/45/26/17/351452617.db2.gz XLAWJJUMOZMXLN-HZPDHXFCSA-N 2 1 270.376 2.146 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000629655424 351452743 /nfs/dbraw/zinc/45/27/43/351452743.db2.gz WRFGBGJRYNQRJZ-ZDUSSCGKSA-N 2 1 268.376 2.097 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(-c2ccccc2)o1 ZINC000629665805 351457848 /nfs/dbraw/zinc/45/78/48/351457848.db2.gz PPBZVJPBIBKZIV-UHFFFAOYSA-N 2 1 274.364 2.354 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccc3c1NCC3)C2 ZINC000629668565 351458840 /nfs/dbraw/zinc/45/88/40/351458840.db2.gz XRAJQNYDBJEMTN-CALCHBBNSA-N 2 1 271.408 2.086 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cccc3c1NCC3)C2 ZINC000629668565 351458843 /nfs/dbraw/zinc/45/88/43/351458843.db2.gz XRAJQNYDBJEMTN-CALCHBBNSA-N 2 1 271.408 2.086 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CC2CCC2)CC[C@H]1C(F)(F)F ZINC000629565615 351417048 /nfs/dbraw/zinc/41/70/48/351417048.db2.gz WNSFYUGFJCLLQJ-WDEREUQCSA-N 2 1 250.308 2.246 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccccc1OC(C)C ZINC000629570359 351417168 /nfs/dbraw/zinc/41/71/68/351417168.db2.gz CZAIETDLRVHXED-UHFFFAOYSA-N 2 1 280.412 2.142 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC000629571787 351419306 /nfs/dbraw/zinc/41/93/06/351419306.db2.gz JCVCRZBVKRGLLP-UHFFFAOYSA-N 2 1 272.339 2.292 20 0 CEADMP COC[C@@H](C)[N@@H+](CCC[NH3+])[C@H]1CCc2ccccc21 ZINC000629589961 351424987 /nfs/dbraw/zinc/42/49/87/351424987.db2.gz GFDMKYXDSPEZTH-CJNGLKHVSA-N 2 1 262.397 2.360 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000339813226 215349176 /nfs/dbraw/zinc/34/91/76/215349176.db2.gz MYXGGXHCAFMIAZ-HNNXBMFYSA-N 2 1 256.434 2.465 20 0 CEADMP Cc1[nH+]c(N)ccc1-c1cccc(OCC[NH+](C)C)c1 ZINC000629700345 351478020 /nfs/dbraw/zinc/47/80/20/351478020.db2.gz JEWCMQKTCHJWPY-UHFFFAOYSA-N 2 1 271.364 2.410 20 0 CEADMP CC[C@H](c1ccc(C2=CC[NH2+]CC2)cc1)[NH+]1CCNCC1 ZINC000629723827 351488342 /nfs/dbraw/zinc/48/83/42/351488342.db2.gz RHWOZPZQFDBGML-GOSISDBHSA-N 2 1 285.435 2.420 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CCCOCC2CC2)s1 ZINC000352242570 219380755 /nfs/dbraw/zinc/38/07/55/219380755.db2.gz RWMLWAGSPWTURU-UHFFFAOYSA-N 2 1 283.441 2.111 20 0 CEADMP FC(F)[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000630072272 351602530 /nfs/dbraw/zinc/60/25/30/351602530.db2.gz DGEJQPXMCXWWBX-HNNXBMFYSA-N 2 1 296.361 2.188 20 0 CEADMP COc1cncc(CNC[C@H]2CC[N@H+]2C(C)(C)C)c1C ZINC000630076346 351606464 /nfs/dbraw/zinc/60/64/64/351606464.db2.gz LABVVEACZJIWGR-CQSZACIVSA-N 2 1 277.412 2.361 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000070351548 363073996 /nfs/dbraw/zinc/07/39/96/363073996.db2.gz BOHWCEWGLWHESP-FPCVCCKLSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000070351548 363073999 /nfs/dbraw/zinc/07/39/99/363073999.db2.gz BOHWCEWGLWHESP-FPCVCCKLSA-N 2 1 266.429 2.406 20 0 CEADMP [NH3+]Cc1noc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000569119518 299182581 /nfs/dbraw/zinc/18/25/81/299182581.db2.gz PDTKWUUADWSWTN-LBPRGKRZSA-N 2 1 290.342 2.047 20 0 CEADMP [NH3+]Cc1noc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000569119518 299182584 /nfs/dbraw/zinc/18/25/84/299182584.db2.gz PDTKWUUADWSWTN-LBPRGKRZSA-N 2 1 290.342 2.047 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000131721821 366080487 /nfs/dbraw/zinc/08/04/87/366080487.db2.gz GAJDEXBHDQMTFZ-RYUDHWBXSA-N 2 1 295.814 2.338 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+](CCSC)CC1 ZINC000122116312 187016140 /nfs/dbraw/zinc/01/61/40/187016140.db2.gz QBGIOMCYLSKIFX-UHFFFAOYSA-N 2 1 288.501 2.420 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+](CCCF)CC1 ZINC000122225962 187021978 /nfs/dbraw/zinc/02/19/78/187021978.db2.gz QTXURTXSPLGQRN-UHFFFAOYSA-N 2 1 274.424 2.416 20 0 CEADMP COCCc1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000631045793 351936534 /nfs/dbraw/zinc/93/65/34/351936534.db2.gz VLVABDFMLUXFOJ-CHWSQXEVSA-N 2 1 295.452 2.048 20 0 CEADMP COCCc1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000631045793 351936536 /nfs/dbraw/zinc/93/65/36/351936536.db2.gz VLVABDFMLUXFOJ-CHWSQXEVSA-N 2 1 295.452 2.048 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC(C)(C)[NH3+])C1 ZINC000237037258 539828665 /nfs/dbraw/zinc/82/86/65/539828665.db2.gz DCMINXMLSMQSGH-ZDUSSCGKSA-N 2 1 283.460 2.131 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2([NH3+])CCCC2)C1 ZINC000236937933 539827024 /nfs/dbraw/zinc/82/70/24/539827024.db2.gz HURGQPAWIALMLI-CQSZACIVSA-N 2 1 295.471 2.275 20 0 CEADMP Cc1scc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1C ZINC000631126277 351976571 /nfs/dbraw/zinc/97/65/71/351976571.db2.gz JSVMBPWYMYUGEB-UHFFFAOYSA-N 2 1 295.496 2.481 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000236938729 539827806 /nfs/dbraw/zinc/82/78/06/539827806.db2.gz NBPIPZKVLCUENV-KFWWJZLASA-N 2 1 295.471 2.131 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000071293040 363109046 /nfs/dbraw/zinc/10/90/46/363109046.db2.gz QWBOHJYUWKOKOQ-AWEZNQCLSA-N 2 1 270.417 2.041 20 0 CEADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000252185565 539851127 /nfs/dbraw/zinc/85/11/27/539851127.db2.gz UFZVFWCSEUYTIZ-BHPKHCPMSA-N 2 1 252.402 2.159 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000094341783 539876023 /nfs/dbraw/zinc/87/60/23/539876023.db2.gz BXZOYGUQTOVOCC-GDBMZVCRSA-N 2 1 262.397 2.351 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000252560768 539878771 /nfs/dbraw/zinc/87/87/71/539878771.db2.gz VYTVMAYTDIEPOM-HIFRSBDPSA-N 2 1 259.397 2.390 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000252560768 539878776 /nfs/dbraw/zinc/87/87/76/539878776.db2.gz VYTVMAYTDIEPOM-HIFRSBDPSA-N 2 1 259.397 2.390 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000153781391 188103627 /nfs/dbraw/zinc/10/36/27/188103627.db2.gz OWYUVONOMPZNPY-CYBMUJFWSA-N 2 1 268.376 2.445 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOCc3ccccc3)C[C@@H]21 ZINC000309859686 539978783 /nfs/dbraw/zinc/97/87/83/539978783.db2.gz CXMGHXGOVOGFHE-YESZJQIVSA-N 2 1 274.408 2.262 20 0 CEADMP COc1cccc(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000154958926 188173376 /nfs/dbraw/zinc/17/33/76/188173376.db2.gz DMICPNKLIZQNKW-GJZGRUSLSA-N 2 1 292.423 2.489 20 0 CEADMP COc1cccc(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000154958926 188173378 /nfs/dbraw/zinc/17/33/78/188173378.db2.gz DMICPNKLIZQNKW-GJZGRUSLSA-N 2 1 292.423 2.489 20 0 CEADMP COc1cccc(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000154958926 188173380 /nfs/dbraw/zinc/17/33/80/188173380.db2.gz DMICPNKLIZQNKW-GJZGRUSLSA-N 2 1 292.423 2.489 20 0 CEADMP COc1cccc(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000154958926 188173381 /nfs/dbraw/zinc/17/33/81/188173381.db2.gz DMICPNKLIZQNKW-GJZGRUSLSA-N 2 1 292.423 2.489 20 0 CEADMP CC1(C)CC([NH2+]Cc2cnc3cnccn23)CC(C)(C)[NH2+]1 ZINC000156560013 188268878 /nfs/dbraw/zinc/26/88/78/188268878.db2.gz RMQVDECZVMCFPA-UHFFFAOYSA-N 2 1 287.411 2.128 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000309914917 540014729 /nfs/dbraw/zinc/01/47/29/540014729.db2.gz UAOBHXUXTOGDEI-ZBFHGGJFSA-N 2 1 262.397 2.262 20 0 CEADMP C[N@H+](C/C=C\c1ccncc1)C[C@@H]1CCC[NH+](C)C1 ZINC000495056195 291014258 /nfs/dbraw/zinc/01/42/58/291014258.db2.gz BXWFKZJTASSZEU-IMMZDGJCSA-N 2 1 259.397 2.368 20 0 CEADMP C[N@@H+](C/C=C\c1ccncc1)C[C@@H]1CCC[NH+](C)C1 ZINC000495056195 291014260 /nfs/dbraw/zinc/01/42/60/291014260.db2.gz BXWFKZJTASSZEU-IMMZDGJCSA-N 2 1 259.397 2.368 20 0 CEADMP C[NH+](C/C=C\c1ccncc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000495056195 291014263 /nfs/dbraw/zinc/01/42/63/291014263.db2.gz BXWFKZJTASSZEU-IMMZDGJCSA-N 2 1 259.397 2.368 20 0 CEADMP C[NH+](C/C=C\c1ccncc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000495056195 291014265 /nfs/dbraw/zinc/01/42/65/291014265.db2.gz BXWFKZJTASSZEU-IMMZDGJCSA-N 2 1 259.397 2.368 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488412006 290396326 /nfs/dbraw/zinc/39/63/26/290396326.db2.gz KWWLJIUCIBCVID-KGLIPLIRSA-N 2 1 288.501 2.465 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000337416045 366147582 /nfs/dbraw/zinc/14/75/82/366147582.db2.gz ZFJHTGUKRSUBEF-ZACQAIPSSA-N 2 1 279.472 2.182 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337987266 366188379 /nfs/dbraw/zinc/18/83/79/366188379.db2.gz INBFCZSKVDUVPH-GVDBMIGSSA-N 2 1 280.456 2.392 20 0 CEADMP CCc1nnc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)o1 ZINC000328704964 202020386 /nfs/dbraw/zinc/02/03/86/202020386.db2.gz KVWSFBXAGWPPDH-AGIUHOORSA-N 2 1 289.383 2.473 20 0 CEADMP CCc1nnc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)o1 ZINC000328704964 202020389 /nfs/dbraw/zinc/02/03/89/202020389.db2.gz KVWSFBXAGWPPDH-AGIUHOORSA-N 2 1 289.383 2.473 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000679346196 540045217 /nfs/dbraw/zinc/04/52/17/540045217.db2.gz AOQCVGADRRHVJH-INMHGKMJSA-N 2 1 296.455 2.035 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCC(=O)CC)C1 ZINC000347737156 283061971 /nfs/dbraw/zinc/06/19/71/283061971.db2.gz PDUSDWDLJACFSB-AWEZNQCLSA-N 2 1 254.418 2.409 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCC(=O)CC)C1 ZINC000347737156 283061976 /nfs/dbraw/zinc/06/19/76/283061976.db2.gz PDUSDWDLJACFSB-AWEZNQCLSA-N 2 1 254.418 2.409 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCC(=O)CC)C1 ZINC000347737156 283061980 /nfs/dbraw/zinc/06/19/80/283061980.db2.gz PDUSDWDLJACFSB-AWEZNQCLSA-N 2 1 254.418 2.409 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCC(=O)CC)C1 ZINC000347737156 283061984 /nfs/dbraw/zinc/06/19/84/283061984.db2.gz PDUSDWDLJACFSB-AWEZNQCLSA-N 2 1 254.418 2.409 20 0 CEADMP Cc1nccn1CCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451696558 283076147 /nfs/dbraw/zinc/07/61/47/283076147.db2.gz GJBZJINIBKZBPF-BZUAXINKSA-N 2 1 277.412 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451696558 283076150 /nfs/dbraw/zinc/07/61/50/283076150.db2.gz GJBZJINIBKZBPF-BZUAXINKSA-N 2 1 277.412 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451696558 283076151 /nfs/dbraw/zinc/07/61/51/283076151.db2.gz GJBZJINIBKZBPF-BZUAXINKSA-N 2 1 277.412 2.065 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnn(-c3ccccc3)c2)CC1 ZINC000271773471 191319332 /nfs/dbraw/zinc/31/93/32/191319332.db2.gz CDSMYBQREZVJRO-UHFFFAOYSA-N 2 1 282.391 2.224 20 0 CEADMP CO[C@@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000379023038 540113993 /nfs/dbraw/zinc/11/39/93/540113993.db2.gz BNVVRVBMGDLBNK-BBWFWOEESA-N 2 1 274.408 2.306 20 0 CEADMP CCN(CC)c1ncc(C[NH2+]CC2=CC[N@@H+](C)CC2)s1 ZINC000271809290 191341293 /nfs/dbraw/zinc/34/12/93/191341293.db2.gz KMVUMTGALAHETM-UHFFFAOYSA-N 2 1 294.468 2.341 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)ncn3C)CC[N@@H+]1C ZINC000271815430 191345045 /nfs/dbraw/zinc/34/50/45/191345045.db2.gz MQNKQKSMIOMALY-ZFWWWQNUSA-N 2 1 286.423 2.488 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)ncn3C)CC[N@H+]1C ZINC000271815430 191345047 /nfs/dbraw/zinc/34/50/47/191345047.db2.gz MQNKQKSMIOMALY-ZFWWWQNUSA-N 2 1 286.423 2.488 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)ncn3C)CC[NH+]1C ZINC000271815430 191345049 /nfs/dbraw/zinc/34/50/49/191345049.db2.gz MQNKQKSMIOMALY-ZFWWWQNUSA-N 2 1 286.423 2.488 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)ncn3C)CC[NH+]1C ZINC000271815430 191345052 /nfs/dbraw/zinc/34/50/52/191345052.db2.gz MQNKQKSMIOMALY-ZFWWWQNUSA-N 2 1 286.423 2.488 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000385167926 540225216 /nfs/dbraw/zinc/22/52/16/540225216.db2.gz FTVZWRDENBQQBD-HIFRSBDPSA-N 2 1 250.386 2.038 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000385167926 540225219 /nfs/dbraw/zinc/22/52/19/540225219.db2.gz FTVZWRDENBQQBD-HIFRSBDPSA-N 2 1 250.386 2.038 20 0 CEADMP CCC1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CCOCC1 ZINC000273575376 192210856 /nfs/dbraw/zinc/21/08/56/192210856.db2.gz HCRMFWVSBWXCDV-UHFFFAOYSA-N 2 1 277.412 2.444 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCc1nccs1 ZINC000273594595 192221662 /nfs/dbraw/zinc/22/16/62/192221662.db2.gz KMEPYDMJJXZZFK-UHFFFAOYSA-N 2 1 276.409 2.327 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000496003694 291099430 /nfs/dbraw/zinc/09/94/30/291099430.db2.gz CIBYGMJMUFRWKI-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000496003694 291099432 /nfs/dbraw/zinc/09/94/32/291099432.db2.gz CIBYGMJMUFRWKI-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP COc1ccc(C[N@@H+](C)CCC[NH3+])cc1OC(F)F ZINC000133749533 366251929 /nfs/dbraw/zinc/25/19/29/366251929.db2.gz HMHIXWPHTTVLLO-UHFFFAOYSA-N 2 1 274.311 2.077 20 0 CEADMP CC(C)(C)OC(=O)[C@H]1CCCN1CCCn1ccnc1 ZINC000133808216 366258222 /nfs/dbraw/zinc/25/82/22/366258222.db2.gz DURZVSXRGVIWAI-CYBMUJFWSA-N 2 1 279.384 2.079 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1scnc1C1CC1 ZINC000414933269 540248088 /nfs/dbraw/zinc/24/80/88/540248088.db2.gz DLEWWRLENRFIOB-MWLCHTKSSA-N 2 1 251.399 2.108 20 0 CEADMP Cc1nc(CC[NH2+]C(C)(C)C[NH+]2CCCC2)cs1 ZINC000452092008 283184519 /nfs/dbraw/zinc/18/45/19/283184519.db2.gz CRVRUDWJPQAKTB-UHFFFAOYSA-N 2 1 267.442 2.458 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)OC(C)(C)C)C1 ZINC000076001380 363507635 /nfs/dbraw/zinc/50/76/35/363507635.db2.gz LDXNDOJOIHWVTM-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)OC(C)(C)C)C1 ZINC000076001380 363507639 /nfs/dbraw/zinc/50/76/39/363507639.db2.gz LDXNDOJOIHWVTM-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000338378812 366327976 /nfs/dbraw/zinc/32/79/76/366327976.db2.gz UMAJIBFQDPDBIT-AWEZNQCLSA-N 2 1 256.434 2.201 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000338361274 366316847 /nfs/dbraw/zinc/31/68/47/366316847.db2.gz QUNFLMCEFVSRSB-RRFJBIMHSA-N 2 1 256.434 2.200 20 0 CEADMP Cn1c2ccccc2[nH+]c1NCC[C@H]1CCC[NH2+]C1 ZINC000079048485 363569372 /nfs/dbraw/zinc/56/93/72/363569372.db2.gz GSPOTMKCXWYTNM-GFCCVEGCSA-N 2 1 258.369 2.375 20 0 CEADMP C[NH+](CCCCC[N@H+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000352232350 540297292 /nfs/dbraw/zinc/29/72/92/540297292.db2.gz URGOGJLQOXSCPF-IAGOWNOFSA-N 2 1 298.471 2.378 20 0 CEADMP C[NH+](C)CCN(C(=O)CCc1cnc[nH]1)C1CCCCC1 ZINC000355984462 540348611 /nfs/dbraw/zinc/34/86/11/540348611.db2.gz INGHSPOORGCHMM-UHFFFAOYSA-N 2 1 292.427 2.065 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000390024854 540373574 /nfs/dbraw/zinc/37/35/74/540373574.db2.gz XLGCCUVCNSVLHY-WMZOPIPTSA-N 2 1 296.418 2.433 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H]2c3ccccc3C[C@H]2O)CC1 ZINC000158736193 540391505 /nfs/dbraw/zinc/39/15/05/540391505.db2.gz UXOLVRZOZTUUHC-SJORKVTESA-N 2 1 274.408 2.109 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@]2(C)CCCO2)C1 ZINC000340199399 283352839 /nfs/dbraw/zinc/35/28/39/283352839.db2.gz LXTYVUWZVWKXMN-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[C@H](NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000129674895 291146750 /nfs/dbraw/zinc/14/67/50/291146750.db2.gz SQSMJTFERVECPJ-UAGQMJEPSA-N 2 1 275.440 2.362 20 0 CEADMP CCn1nccc1CC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000338565396 366414244 /nfs/dbraw/zinc/41/42/44/366414244.db2.gz AHHYTSNHQMVPFB-GOEBONIOSA-N 2 1 278.444 2.108 20 0 CEADMP CCn1nccc1CC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000338565396 366414250 /nfs/dbraw/zinc/41/42/50/366414250.db2.gz AHHYTSNHQMVPFB-GOEBONIOSA-N 2 1 278.444 2.108 20 0 CEADMP CCn1nccc1CC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000338565396 366414254 /nfs/dbraw/zinc/41/42/54/366414254.db2.gz AHHYTSNHQMVPFB-GOEBONIOSA-N 2 1 278.444 2.108 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000160148729 540445335 /nfs/dbraw/zinc/44/53/35/540445335.db2.gz YXTPGUXBPAFABX-KBPBESRZSA-N 3 1 255.450 2.037 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000160148729 540445337 /nfs/dbraw/zinc/44/53/37/540445337.db2.gz YXTPGUXBPAFABX-KBPBESRZSA-N 3 1 255.450 2.037 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000312988575 540463129 /nfs/dbraw/zinc/46/31/29/540463129.db2.gz OYEDPAOTSYKSPF-CABCVRRESA-N 2 1 268.445 2.392 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000671730453 540494622 /nfs/dbraw/zinc/49/46/22/540494622.db2.gz KANWZIFPIGUCAK-SOUVJXGZSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000671730453 540494624 /nfs/dbraw/zinc/49/46/24/540494624.db2.gz KANWZIFPIGUCAK-SOUVJXGZSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000671753036 540501629 /nfs/dbraw/zinc/50/16/29/540501629.db2.gz WAPWHODWOQXYEE-JYJNAYRXSA-N 2 1 280.456 2.392 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000671770666 540508570 /nfs/dbraw/zinc/50/85/70/540508570.db2.gz VZJALGYQKAQZOF-HOCLYGCPSA-N 3 1 267.461 2.181 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000671770666 540508572 /nfs/dbraw/zinc/50/85/72/540508572.db2.gz VZJALGYQKAQZOF-HOCLYGCPSA-N 3 1 267.461 2.181 20 0 CEADMP COc1cc2c(c(C[NH2+][C@@H]3CCC[NH2+]CC3)c1)O[C@@H](C)C2 ZINC000666855351 540510014 /nfs/dbraw/zinc/51/00/14/540510014.db2.gz NQWCDTUMLKXSNI-SWLSCSKDSA-N 2 1 290.407 2.250 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000496954005 291186424 /nfs/dbraw/zinc/18/64/24/291186424.db2.gz HEPAKEYBFBQHIF-UHFFFAOYSA-N 2 1 299.459 2.317 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000496954005 291186426 /nfs/dbraw/zinc/18/64/26/291186426.db2.gz HEPAKEYBFBQHIF-UHFFFAOYSA-N 2 1 299.459 2.317 20 0 CEADMP c1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)n(CC2CC2)n1 ZINC000668084583 540565114 /nfs/dbraw/zinc/56/51/14/540565114.db2.gz PCVWRYYTGUGYSJ-QGZVFWFLSA-N 2 1 298.390 2.341 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)n(CC2CC2)n1 ZINC000668084583 540565116 /nfs/dbraw/zinc/56/51/16/540565116.db2.gz PCVWRYYTGUGYSJ-QGZVFWFLSA-N 2 1 298.390 2.341 20 0 CEADMP Cc1[nH+]ccn1CC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000297347228 200157097 /nfs/dbraw/zinc/15/70/97/200157097.db2.gz HNWJRWJYDPDEFC-UHFFFAOYSA-N 2 1 286.379 2.200 20 0 CEADMP Cn1cncc1CCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000571222820 299299409 /nfs/dbraw/zinc/29/94/09/299299409.db2.gz ZYRFACYUJCDJDJ-MRXNPFEDSA-N 2 1 290.455 2.016 20 0 CEADMP Cn1cncc1CCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000571222820 299299411 /nfs/dbraw/zinc/29/94/11/299299411.db2.gz ZYRFACYUJCDJDJ-MRXNPFEDSA-N 2 1 290.455 2.016 20 0 CEADMP Cn1cncc1CCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000571222820 299299414 /nfs/dbraw/zinc/29/94/14/299299414.db2.gz ZYRFACYUJCDJDJ-MRXNPFEDSA-N 2 1 290.455 2.016 20 0 CEADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339071553 366640950 /nfs/dbraw/zinc/64/09/50/366640950.db2.gz SRZULIXEGKTANW-IKGGRYGDSA-N 2 1 274.408 2.327 20 0 CEADMP C(C1CC1)[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339077002 366642070 /nfs/dbraw/zinc/64/20/70/366642070.db2.gz XJTKHIDOUDCWIX-IRXDYDNUSA-N 2 1 277.456 2.077 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000151452414 366645356 /nfs/dbraw/zinc/64/53/56/366645356.db2.gz IVWJMVGRNLFUKC-IIAWOOMASA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000151452414 366645362 /nfs/dbraw/zinc/64/53/62/366645362.db2.gz IVWJMVGRNLFUKC-IIAWOOMASA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cccnc1-n1ccnc1 ZINC000151504866 366650129 /nfs/dbraw/zinc/65/01/29/366650129.db2.gz GHLYECMPZCBWDZ-IJEWVQPXSA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000151504866 366650136 /nfs/dbraw/zinc/65/01/36/366650136.db2.gz GHLYECMPZCBWDZ-IJEWVQPXSA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000151504866 366650144 /nfs/dbraw/zinc/65/01/44/366650144.db2.gz GHLYECMPZCBWDZ-IJEWVQPXSA-N 3 1 299.422 2.086 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](CCc3cccc(Cl)c3)C[C@@H]2C1 ZINC000298188551 200355199 /nfs/dbraw/zinc/35/51/99/200355199.db2.gz WNTACYIKERGJJF-OKILXGFUSA-N 2 1 264.800 2.376 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CCc3cccc(Cl)c3)C[C@@H]2C1 ZINC000298188551 200355202 /nfs/dbraw/zinc/35/52/02/200355202.db2.gz WNTACYIKERGJJF-OKILXGFUSA-N 2 1 264.800 2.376 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCc3cccc(Cl)c3)C[C@@H]2C1 ZINC000298188551 200355204 /nfs/dbraw/zinc/35/52/04/200355204.db2.gz WNTACYIKERGJJF-OKILXGFUSA-N 2 1 264.800 2.376 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCc3cccc(Cl)c3)C[C@@H]2C1 ZINC000298188551 200355205 /nfs/dbraw/zinc/35/52/05/200355205.db2.gz WNTACYIKERGJJF-OKILXGFUSA-N 2 1 264.800 2.376 20 0 CEADMP COc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298255128 200372757 /nfs/dbraw/zinc/37/27/57/200372757.db2.gz DZSSULIOZSLJDM-UHFFFAOYSA-N 2 1 274.408 2.454 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H](CC)[C@H](O)C(F)(F)F)CC1 ZINC000341882487 216137618 /nfs/dbraw/zinc/13/76/18/216137618.db2.gz TVDBYDJTQORMHR-NEPJUHHUSA-N 2 1 282.350 2.152 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000341896343 216142670 /nfs/dbraw/zinc/14/26/70/216142670.db2.gz KFXIZBJMJCFVQP-AHCXZYCDSA-N 2 1 290.451 2.156 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCCCOC)C1 ZINC000081568356 363729950 /nfs/dbraw/zinc/72/99/50/363729950.db2.gz IRGOBILLUHEXRI-HNNXBMFYSA-N 2 1 256.434 2.467 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCCCOC)C1 ZINC000081568356 363729952 /nfs/dbraw/zinc/72/99/52/363729952.db2.gz IRGOBILLUHEXRI-HNNXBMFYSA-N 2 1 256.434 2.467 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCCCOC)C1 ZINC000081568356 363729956 /nfs/dbraw/zinc/72/99/56/363729956.db2.gz IRGOBILLUHEXRI-HNNXBMFYSA-N 2 1 256.434 2.467 20 0 CEADMP C[N@H+]1CCC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000675768054 540872169 /nfs/dbraw/zinc/87/21/69/540872169.db2.gz WJEPYBAEFBDTMA-MRXNPFEDSA-N 2 1 279.472 2.467 20 0 CEADMP CN1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000675768054 540872172 /nfs/dbraw/zinc/87/21/72/540872172.db2.gz WJEPYBAEFBDTMA-MRXNPFEDSA-N 2 1 279.472 2.467 20 0 CEADMP CCCN(CC[NH+]1CCCC1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000342157437 216242849 /nfs/dbraw/zinc/24/28/49/216242849.db2.gz HHXDPGDIKKQQNT-IYBDPMFKSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882884 540878657 /nfs/dbraw/zinc/87/86/57/540878657.db2.gz UONBEYDXINBQIC-HIFRSBDPSA-N 2 1 254.418 2.408 20 0 CEADMP CCCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000342191386 216254899 /nfs/dbraw/zinc/25/48/99/216254899.db2.gz DVFFNUYQFAQFLL-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180454609 189256766 /nfs/dbraw/zinc/25/67/66/189256766.db2.gz CWMUYFXYLNRAQZ-LNRIEFBSSA-N 2 1 274.408 2.152 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccccc1C ZINC000571653437 299321763 /nfs/dbraw/zinc/32/17/63/299321763.db2.gz IJRHRACPPLHONX-CABCVRRESA-N 2 1 264.413 2.300 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccccc1C ZINC000571653437 299321767 /nfs/dbraw/zinc/32/17/67/299321767.db2.gz IJRHRACPPLHONX-CABCVRRESA-N 2 1 264.413 2.300 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1ccccc1C ZINC000571653437 299321769 /nfs/dbraw/zinc/32/17/69/299321769.db2.gz IJRHRACPPLHONX-CABCVRRESA-N 2 1 264.413 2.300 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1ccccc1C ZINC000571653437 299321773 /nfs/dbraw/zinc/32/17/73/299321773.db2.gz IJRHRACPPLHONX-CABCVRRESA-N 2 1 264.413 2.300 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000579791282 366701115 /nfs/dbraw/zinc/70/11/15/366701115.db2.gz AUYHBFJFJJJRAH-QZTJIDSGSA-N 2 1 290.451 2.315 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000152530361 366701233 /nfs/dbraw/zinc/70/12/33/366701233.db2.gz NMWGXDCUFNFVJQ-BQFCYCMXSA-N 2 1 287.451 2.443 20 0 CEADMP CCCC[C@@H](COC)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152445814 366697458 /nfs/dbraw/zinc/69/74/58/366697458.db2.gz ZZLSWZAIOFFTJL-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(CO)cc1 ZINC000638675518 370678875 /nfs/dbraw/zinc/67/88/75/370678875.db2.gz UMCNTUMFUXAKBW-UHFFFAOYSA-N 2 1 273.380 2.254 20 0 CEADMP CO[C@@H](C)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000182203972 189316724 /nfs/dbraw/zinc/31/67/24/189316724.db2.gz QBFJXVMGWPXLIT-RDJZCZTQSA-N 2 1 276.424 2.475 20 0 CEADMP CO[C@@H](C)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000182203972 189316725 /nfs/dbraw/zinc/31/67/25/189316725.db2.gz QBFJXVMGWPXLIT-RDJZCZTQSA-N 2 1 276.424 2.475 20 0 CEADMP CO[C@@H](C)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000182203972 189316726 /nfs/dbraw/zinc/31/67/26/189316726.db2.gz QBFJXVMGWPXLIT-RDJZCZTQSA-N 2 1 276.424 2.475 20 0 CEADMP C[NH2+]CCCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000237134625 370693771 /nfs/dbraw/zinc/69/37/71/370693771.db2.gz PPXVQALMYYPVLW-UHFFFAOYSA-N 2 1 295.471 2.101 20 0 CEADMP CSC1(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCC1 ZINC000356384087 370688873 /nfs/dbraw/zinc/68/88/73/370688873.db2.gz CSYNGFZNDBKULN-CQSZACIVSA-N 2 1 286.485 2.363 20 0 CEADMP CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1 ZINC000154238672 366763997 /nfs/dbraw/zinc/76/39/97/366763997.db2.gz OSRPVCMXAFYORR-GJZGRUSLSA-N 2 1 250.386 2.040 20 0 CEADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154255036 366764124 /nfs/dbraw/zinc/76/41/24/366764124.db2.gz PDGWCRZAIHRRTB-GHMZBOCLSA-N 2 1 290.860 2.235 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CCC[C@H]1[NH3+] ZINC000340119134 366777323 /nfs/dbraw/zinc/77/73/23/366777323.db2.gz GXRJAGMOHNQEEK-BZUAXINKSA-N 2 1 295.471 2.275 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCO2)cc1 ZINC000678133202 541086486 /nfs/dbraw/zinc/08/64/86/541086486.db2.gz VHQJHTQRTYNOOR-KRWDZBQOSA-N 2 1 292.423 2.238 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000019958766 361570898 /nfs/dbraw/zinc/57/08/98/361570898.db2.gz HWAZAFJVNZQKCR-LBPRGKRZSA-N 2 1 264.369 2.060 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)N(C)c1ccccc1 ZINC000156148378 366826792 /nfs/dbraw/zinc/82/67/92/366826792.db2.gz SENIZQRCVWYQFQ-UXLLHSPISA-N 2 1 275.440 2.441 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000020087855 361576938 /nfs/dbraw/zinc/57/69/38/361576938.db2.gz CUSIBBUCWZMZMV-UHFFFAOYSA-N 2 1 278.396 2.135 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000020090580 361578998 /nfs/dbraw/zinc/57/89/98/361578998.db2.gz BQHBCRSBGNIJCY-UHFFFAOYSA-N 2 1 287.407 2.350 20 0 CEADMP CC[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](CC)CC ZINC000342514370 216379809 /nfs/dbraw/zinc/37/98/09/216379809.db2.gz WRVJOJNDRCRSDP-QXULXFAOSA-N 2 1 295.471 2.190 20 0 CEADMP CCC1(O)CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000678549382 541148548 /nfs/dbraw/zinc/14/85/48/541148548.db2.gz VCFZNSNIBMBYMT-JLVJUDLZSA-N 2 1 254.418 2.142 20 0 CEADMP CCC1(O)CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000678549382 541148553 /nfs/dbraw/zinc/14/85/53/541148553.db2.gz VCFZNSNIBMBYMT-JLVJUDLZSA-N 2 1 254.418 2.142 20 0 CEADMP CCC1(O)CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000678549380 541148736 /nfs/dbraw/zinc/14/87/36/541148736.db2.gz VCFZNSNIBMBYMT-FGZQJIAISA-N 2 1 254.418 2.142 20 0 CEADMP CCC1(O)CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000678549380 541148738 /nfs/dbraw/zinc/14/87/38/541148738.db2.gz VCFZNSNIBMBYMT-FGZQJIAISA-N 2 1 254.418 2.142 20 0 CEADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678587119 541152713 /nfs/dbraw/zinc/15/27/13/541152713.db2.gz NDTAGNNDBQHNGK-BGTYHANMSA-N 2 1 288.435 2.367 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CCC(O)(CC)CC2)CC1 ZINC000678771103 541170124 /nfs/dbraw/zinc/17/01/24/541170124.db2.gz YZDQSKZFFRHMCO-UHFFFAOYSA-N 2 1 254.418 2.144 20 0 CEADMP CC[N@H+]1CC[C@H](Nc2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000679127648 541218108 /nfs/dbraw/zinc/21/81/08/541218108.db2.gz OPOFQPTWMNDKJX-CJNGLKHVSA-N 2 1 285.395 2.410 20 0 CEADMP Cc1ccc(N2CCC([NH2+]Cc3cc[nH]c3)CC2)[nH+]c1 ZINC000086254975 363837467 /nfs/dbraw/zinc/83/74/67/363837467.db2.gz ORGBNCZDWJTCMJ-UHFFFAOYSA-N 2 1 270.380 2.477 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000088103092 363878224 /nfs/dbraw/zinc/87/82/24/363878224.db2.gz ZTAABQDISRXACU-HNNXBMFYSA-N 2 1 274.408 2.225 20 0 CEADMP CC(C)C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])N(C)C ZINC000089140644 363937115 /nfs/dbraw/zinc/93/71/15/363937115.db2.gz IFFBIKVGEXMCJK-RBSFLKMASA-N 2 1 255.450 2.070 20 0 CEADMP C[NH+](C/C=C/C[N@H+](C)[C@@H]1CCSC1)[C@@H]1CCSC1 ZINC000089936522 364019203 /nfs/dbraw/zinc/01/92/03/364019203.db2.gz JJRXYPBXBCHMRD-LSMGEYOZSA-N 2 1 286.510 2.417 20 0 CEADMP CC(C)n1cncc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000090208730 364048624 /nfs/dbraw/zinc/04/86/24/364048624.db2.gz BYIDTTFJYVNGDX-AWEZNQCLSA-N 2 1 264.417 2.284 20 0 CEADMP CC(C)n1cncc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000090208730 364048631 /nfs/dbraw/zinc/04/86/31/364048631.db2.gz BYIDTTFJYVNGDX-AWEZNQCLSA-N 2 1 264.417 2.284 20 0 CEADMP Cn1ncc2c1CCCN(CC[C@H]1CCCC[N@H+]1C)C2 ZINC000334643540 364123991 /nfs/dbraw/zinc/12/39/91/364123991.db2.gz FHQPPDLUVVFLFJ-OAHLLOKOSA-N 2 1 276.428 2.043 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000638725884 370713922 /nfs/dbraw/zinc/71/39/22/370713922.db2.gz LGSJFYICKSEJJB-UHFFFAOYSA-N 2 1 298.471 2.282 20 0 CEADMP Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000237524239 370729549 /nfs/dbraw/zinc/72/95/49/370729549.db2.gz NNWMUNGZKWJPHG-SNVBAGLBSA-N 2 1 295.818 2.313 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638795345 370757344 /nfs/dbraw/zinc/75/73/44/370757344.db2.gz BSXUKAFNUAOSEK-LXZKKBNFSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638795345 370757348 /nfs/dbraw/zinc/75/73/48/370757348.db2.gz BSXUKAFNUAOSEK-LXZKKBNFSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H](O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638795346 370757582 /nfs/dbraw/zinc/75/75/82/370757582.db2.gz BSXUKAFNUAOSEK-QRTARXTBSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H](O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638795346 370757587 /nfs/dbraw/zinc/75/75/87/370757587.db2.gz BSXUKAFNUAOSEK-QRTARXTBSA-N 2 1 274.408 2.325 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000335004408 364338978 /nfs/dbraw/zinc/33/89/78/364338978.db2.gz XXQIAXYPGYQQPQ-OCCSQVGLSA-N 2 1 272.396 2.202 20 0 CEADMP Cc1cccnc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334870062 364281380 /nfs/dbraw/zinc/28/13/80/364281380.db2.gz SRWKDLAMCZGPCG-GDBMZVCRSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)cn2c1 ZINC000335035314 364383490 /nfs/dbraw/zinc/38/34/90/364383490.db2.gz UVWPYGLGMFRYBK-DZGCQCFKSA-N 2 1 272.396 2.120 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000335058899 364413547 /nfs/dbraw/zinc/41/35/47/364413547.db2.gz JWPHQOZBWJNWDB-ZFWWWQNUSA-N 3 1 265.445 2.253 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(Cc3cccc(F)c3N)CC[C@@H]21 ZINC000156402758 366832427 /nfs/dbraw/zinc/83/24/27/366832427.db2.gz CPMMVTKTMHBLCR-DOMZBBRYSA-N 2 1 277.387 2.324 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3N)CC[C@@H]21 ZINC000156402758 366832433 /nfs/dbraw/zinc/83/24/33/366832433.db2.gz CPMMVTKTMHBLCR-DOMZBBRYSA-N 2 1 277.387 2.324 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3N)CC[C@@H]21 ZINC000156402758 366832437 /nfs/dbraw/zinc/83/24/37/366832437.db2.gz CPMMVTKTMHBLCR-DOMZBBRYSA-N 2 1 277.387 2.324 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3N)CC[C@@H]21 ZINC000156402758 366832445 /nfs/dbraw/zinc/83/24/45/366832445.db2.gz CPMMVTKTMHBLCR-DOMZBBRYSA-N 2 1 277.387 2.324 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3N)CC[C@@H]21 ZINC000156402758 366832452 /nfs/dbraw/zinc/83/24/52/366832452.db2.gz CPMMVTKTMHBLCR-DOMZBBRYSA-N 2 1 277.387 2.324 20 0 CEADMP C[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000097603109 364512608 /nfs/dbraw/zinc/51/26/08/364512608.db2.gz USWTWUZBAATSED-CQSZACIVSA-N 2 1 262.397 2.012 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000104287883 364690961 /nfs/dbraw/zinc/69/09/61/364690961.db2.gz IEYPCNLINCNVAI-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1csc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000335633533 212348934 /nfs/dbraw/zinc/34/89/34/212348934.db2.gz JGBPMCXDVOJQSH-CHWSQXEVSA-N 2 1 265.426 2.273 20 0 CEADMP Oc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335637106 212351922 /nfs/dbraw/zinc/35/19/22/212351922.db2.gz WDVAZPNSKZRUHK-CABCVRRESA-N 2 1 260.381 2.214 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccs2)CCN1C1CC[NH+](C)CC1 ZINC000335739236 364911427 /nfs/dbraw/zinc/91/14/27/364911427.db2.gz CYVVZGSBLIWBAX-CQSZACIVSA-N 2 1 293.480 2.348 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000572249839 299353818 /nfs/dbraw/zinc/35/38/18/299353818.db2.gz GWDSINSGATXPGR-CYBMUJFWSA-N 2 1 259.397 2.002 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000572249839 299353821 /nfs/dbraw/zinc/35/38/21/299353821.db2.gz GWDSINSGATXPGR-CYBMUJFWSA-N 2 1 259.397 2.002 20 0 CEADMP C1CC([NH+]2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)C1 ZINC000335928726 365173612 /nfs/dbraw/zinc/17/36/12/365173612.db2.gz QXYLGOVLCJLNBO-WBVHZDCISA-N 2 1 277.456 2.220 20 0 CEADMP CC[N@H+](CCNc1cc[nH+]c(N2CCCCC2)n1)C(C)C ZINC000357235857 370809777 /nfs/dbraw/zinc/80/97/77/370809777.db2.gz RLFRCDKZYUKAFQ-UHFFFAOYSA-N 2 1 291.443 2.031 20 0 CEADMP CC[N@@H+](CCNc1cc[nH+]c(N2CCCCC2)n1)C(C)C ZINC000357235857 370809785 /nfs/dbraw/zinc/80/97/85/370809785.db2.gz RLFRCDKZYUKAFQ-UHFFFAOYSA-N 2 1 291.443 2.031 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)CC[C@H]1[NH3+] ZINC000336055047 365347007 /nfs/dbraw/zinc/34/70/07/365347007.db2.gz YXPNBLPPPXCVFI-BXUZGUMPSA-N 2 1 271.364 2.110 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC000582221795 366879080 /nfs/dbraw/zinc/87/90/80/366879080.db2.gz MODYFQADHKMJAM-LXTVHRRPSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H]1OCC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000119919505 365344648 /nfs/dbraw/zinc/34/46/48/365344648.db2.gz UNQOLOKSHNJYNB-GOEBONIOSA-N 2 1 262.397 2.276 20 0 CEADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000275680940 193104562 /nfs/dbraw/zinc/10/45/62/193104562.db2.gz IEVTYMIHQICZNL-BHYGNILZSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000275680940 193104563 /nfs/dbraw/zinc/10/45/63/193104563.db2.gz IEVTYMIHQICZNL-BHYGNILZSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@@H](Cn1cncn1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000340470994 366896762 /nfs/dbraw/zinc/89/67/62/366896762.db2.gz APERWKBUYUQJMI-HOTGVXAUSA-N 2 1 293.459 2.158 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000582368135 366901488 /nfs/dbraw/zinc/90/14/88/366901488.db2.gz XJGRZMKPNSLGHA-MFKMUULPSA-N 2 1 297.349 2.105 20 0 CEADMP CC[C@@H](C)[C@@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000340663445 366973636 /nfs/dbraw/zinc/97/36/36/366973636.db2.gz WXOJPTNAZKPRLV-BXKDBHETSA-N 2 1 260.341 2.241 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CCC1=CCCCCC1)C1CC1 ZINC000572395167 299364537 /nfs/dbraw/zinc/36/45/37/299364537.db2.gz XPDDZUFYMLXSBU-MRXNPFEDSA-N 2 1 266.429 2.312 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CCC1=CCCCCC1)C1CC1 ZINC000572395167 299364541 /nfs/dbraw/zinc/36/45/41/299364541.db2.gz XPDDZUFYMLXSBU-MRXNPFEDSA-N 2 1 266.429 2.312 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnc(C3CC3)s2)C[C@@]1(C)C[NH3+] ZINC000583369375 367038208 /nfs/dbraw/zinc/03/82/08/367038208.db2.gz XZBNKOKYOOOHHO-QMTHXVAHSA-N 2 1 265.426 2.437 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(C3CC3)s2)C[C@@]1(C)C[NH3+] ZINC000583369375 367038219 /nfs/dbraw/zinc/03/82/19/367038219.db2.gz XZBNKOKYOOOHHO-QMTHXVAHSA-N 2 1 265.426 2.437 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC([NH2+]C2CCCC2)CC1 ZINC000161800426 367113659 /nfs/dbraw/zinc/11/36/59/367113659.db2.gz YEOALNCLYINIAS-QGZVFWFLSA-N 2 1 279.472 2.467 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000583822885 367104008 /nfs/dbraw/zinc/10/40/08/367104008.db2.gz AWKYTDGUDCNNSL-BZUAXINKSA-N 2 1 267.461 2.356 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)Cc3ccccc3)CC[C@@H]21 ZINC000162798847 367191482 /nfs/dbraw/zinc/19/14/82/367191482.db2.gz UISDVANYIRAZCQ-KURKYZTESA-N 2 1 288.435 2.006 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)Nc1cc[nH+]cc1C(=O)OCC ZINC000341140977 367192151 /nfs/dbraw/zinc/19/21/51/367192151.db2.gz OQDZWBDWOPEUPF-ZDUSSCGKSA-N 2 1 293.411 2.213 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)Nc1cc[nH+]cc1C(=O)OCC ZINC000341140977 367192156 /nfs/dbraw/zinc/19/21/56/367192156.db2.gz OQDZWBDWOPEUPF-ZDUSSCGKSA-N 2 1 293.411 2.213 20 0 CEADMP CCOC[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245686291 370857513 /nfs/dbraw/zinc/85/75/13/370857513.db2.gz VDVWRFWEKKSBHW-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCOC[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245686291 370857516 /nfs/dbraw/zinc/85/75/16/370857516.db2.gz VDVWRFWEKKSBHW-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCOC[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245686291 370857523 /nfs/dbraw/zinc/85/75/23/370857523.db2.gz VDVWRFWEKKSBHW-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP Cn1cc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)cn1 ZINC000162932631 367204614 /nfs/dbraw/zinc/20/46/14/367204614.db2.gz YGLFQRXTDIOUFI-GJZGRUSLSA-N 2 1 262.401 2.041 20 0 CEADMP Cn1cc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)cn1 ZINC000162932631 367204618 /nfs/dbraw/zinc/20/46/18/367204618.db2.gz YGLFQRXTDIOUFI-GJZGRUSLSA-N 2 1 262.401 2.041 20 0 CEADMP Cn1cc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cn1 ZINC000162932631 367204623 /nfs/dbraw/zinc/20/46/23/367204623.db2.gz YGLFQRXTDIOUFI-GJZGRUSLSA-N 2 1 262.401 2.041 20 0 CEADMP Cn1cc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)cn1 ZINC000162932631 367204628 /nfs/dbraw/zinc/20/46/28/367204628.db2.gz YGLFQRXTDIOUFI-GJZGRUSLSA-N 2 1 262.401 2.041 20 0 CEADMP Cn1cc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)cn1 ZINC000245704481 370860161 /nfs/dbraw/zinc/86/01/61/370860161.db2.gz YGLFQRXTDIOUFI-HUUCEWRRSA-N 2 1 262.401 2.041 20 0 CEADMP Cn1cc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)cn1 ZINC000245704481 370860167 /nfs/dbraw/zinc/86/01/67/370860167.db2.gz YGLFQRXTDIOUFI-HUUCEWRRSA-N 2 1 262.401 2.041 20 0 CEADMP Cn1cc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cn1 ZINC000245704481 370860171 /nfs/dbraw/zinc/86/01/71/370860171.db2.gz YGLFQRXTDIOUFI-HUUCEWRRSA-N 2 1 262.401 2.041 20 0 CEADMP Cn1cc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)cn1 ZINC000245704481 370860175 /nfs/dbraw/zinc/86/01/75/370860175.db2.gz YGLFQRXTDIOUFI-HUUCEWRRSA-N 2 1 262.401 2.041 20 0 CEADMP CCC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C)[NH+](C)C ZINC000164179620 367278900 /nfs/dbraw/zinc/27/89/00/367278900.db2.gz SZGDHPAFILCCDN-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000163234816 367225821 /nfs/dbraw/zinc/22/58/21/367225821.db2.gz UZZSTNBBSJUDAV-TZMCWYRMSA-N 2 1 255.365 2.404 20 0 CEADMP CCc1nc(NCC2([NH+](C)C)CCCCC2)cc(C)[nH+]1 ZINC000341362129 367304467 /nfs/dbraw/zinc/30/44/67/367304467.db2.gz SZFMPGXYCXMFEP-UHFFFAOYSA-N 2 1 276.428 2.446 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC)[C@H](C)C2)CC[N@H+]1C ZINC000631440991 367318319 /nfs/dbraw/zinc/31/83/19/367318319.db2.gz FJYRJLSVSKEGPW-LVQVYYBASA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)CC[NH+]1C ZINC000631440991 367318328 /nfs/dbraw/zinc/31/83/28/367318328.db2.gz FJYRJLSVSKEGPW-LVQVYYBASA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)CC[NH+]1C ZINC000631440991 367318333 /nfs/dbraw/zinc/31/83/33/367318333.db2.gz FJYRJLSVSKEGPW-LVQVYYBASA-N 2 1 295.471 2.048 20 0 CEADMP Cc1noc(C)c1CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000166683062 367327341 /nfs/dbraw/zinc/32/73/41/367327341.db2.gz CRTCWGNENQWSON-ZBFHGGJFSA-N 2 1 277.412 2.250 20 0 CEADMP Cc1noc(C)c1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000166683062 367327342 /nfs/dbraw/zinc/32/73/42/367327342.db2.gz CRTCWGNENQWSON-ZBFHGGJFSA-N 2 1 277.412 2.250 20 0 CEADMP Cc1noc(C)c1CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000166683062 367327344 /nfs/dbraw/zinc/32/73/44/367327344.db2.gz CRTCWGNENQWSON-ZBFHGGJFSA-N 2 1 277.412 2.250 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2ncccc21 ZINC000631567399 367406116 /nfs/dbraw/zinc/40/61/16/367406116.db2.gz ZIGNIKCBNVGVQF-INIZCTEOSA-N 2 1 277.412 2.017 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000631568734 367407332 /nfs/dbraw/zinc/40/73/32/367407332.db2.gz XSDDVJGCTHCRRV-JYJNAYRXSA-N 2 1 276.424 2.160 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631569357 367407581 /nfs/dbraw/zinc/40/75/81/367407581.db2.gz INLOKUUZLMHSDQ-CJNGLKHVSA-N 2 1 259.397 2.390 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC[N@@H+]1C ZINC000631587256 367422410 /nfs/dbraw/zinc/42/24/10/367422410.db2.gz GHYZCLIBRNKDLF-OJLVUWQFSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC[N@H+]1C ZINC000631587256 367422411 /nfs/dbraw/zinc/42/24/11/367422411.db2.gz GHYZCLIBRNKDLF-OJLVUWQFSA-N 2 1 266.429 2.406 20 0 CEADMP Cc1cnc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1C ZINC000342775230 367527960 /nfs/dbraw/zinc/52/79/60/367527960.db2.gz FACNYQAVANRLEC-MRXNPFEDSA-N 2 1 284.407 2.217 20 0 CEADMP Cc1cnc(CN2CCN(C)C[C@@H]2c2ccccc2)n1C ZINC000342775230 367527967 /nfs/dbraw/zinc/52/79/67/367527967.db2.gz FACNYQAVANRLEC-MRXNPFEDSA-N 2 1 284.407 2.217 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CC2(CCC2)C1 ZINC000448057681 260794847 /nfs/dbraw/zinc/79/48/47/260794847.db2.gz ZCVOMZBSGIEBNN-HNNXBMFYSA-N 2 1 266.429 2.146 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2CCOC3)CC[N@H+]1C ZINC000631730066 367507298 /nfs/dbraw/zinc/50/72/98/367507298.db2.gz VOBTWUQPXFUSFJ-CZUORRHYSA-N 2 1 274.408 2.332 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000631832527 367571070 /nfs/dbraw/zinc/57/10/70/367571070.db2.gz HXKRWYTYSQIZQU-CQSZACIVSA-N 2 1 293.386 2.358 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000631832527 367571077 /nfs/dbraw/zinc/57/10/77/367571077.db2.gz HXKRWYTYSQIZQU-CQSZACIVSA-N 2 1 293.386 2.358 20 0 CEADMP c1ccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887347 367608552 /nfs/dbraw/zinc/60/85/52/367608552.db2.gz QMWPMNQVTVSBNF-HOCLYGCPSA-N 2 1 260.381 2.139 20 0 CEADMP CN(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)c1ccccc1 ZINC000631889057 367610641 /nfs/dbraw/zinc/61/06/41/367610641.db2.gz DVEBILAZXNKVGP-RDJZCZTQSA-N 2 1 273.424 2.197 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631890890 367612455 /nfs/dbraw/zinc/61/24/55/367612455.db2.gz WHNWXNRBXHSKPM-YPMHNXCESA-N 2 1 251.399 2.025 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631890890 367612460 /nfs/dbraw/zinc/61/24/60/367612460.db2.gz WHNWXNRBXHSKPM-YPMHNXCESA-N 2 1 251.399 2.025 20 0 CEADMP CC(C)(C)C[N@@H+](CCO)CCC[NH+]1CCCCC1 ZINC000682028561 541621017 /nfs/dbraw/zinc/62/10/17/541621017.db2.gz UXKSBFSUKKCRLL-UHFFFAOYSA-N 2 1 256.434 2.203 20 0 CEADMP CC(C)[C@@H](CN[C@@H]1C[N@H+](C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000343271420 367735084 /nfs/dbraw/zinc/73/50/84/367735084.db2.gz QTQWXOLRKXYQDJ-GVDBMIGSSA-N 2 1 281.488 2.283 20 0 CEADMP CC(C)[C@@H](CN[C@@H]1C[N@@H+](C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000343271420 367735089 /nfs/dbraw/zinc/73/50/89/367735089.db2.gz QTQWXOLRKXYQDJ-GVDBMIGSSA-N 2 1 281.488 2.283 20 0 CEADMP c1cn(CCC[N@H+]2CCC[C@@]3(CCCOC3)C2)cn1 ZINC000343312309 367749560 /nfs/dbraw/zinc/74/95/60/367749560.db2.gz ACAREDCDAQZDGK-OAHLLOKOSA-N 2 1 263.385 2.166 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1nccs1 ZINC000358043111 370882744 /nfs/dbraw/zinc/88/27/44/370882744.db2.gz HBPGPISPFGILNH-NEPJUHHUSA-N 2 1 253.415 2.006 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000343556281 367880758 /nfs/dbraw/zinc/88/07/58/367880758.db2.gz SBAQWUCIUPRWPE-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(CCOc2ccccc2)C1 ZINC000173881345 367954789 /nfs/dbraw/zinc/95/47/89/367954789.db2.gz WCZSQMCHPIQZDQ-HNNXBMFYSA-N 2 1 262.397 2.339 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2)C1 ZINC000173881345 367954794 /nfs/dbraw/zinc/95/47/94/367954794.db2.gz WCZSQMCHPIQZDQ-HNNXBMFYSA-N 2 1 262.397 2.339 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2)C1 ZINC000173881345 367954798 /nfs/dbraw/zinc/95/47/98/367954798.db2.gz WCZSQMCHPIQZDQ-HNNXBMFYSA-N 2 1 262.397 2.339 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000173881345 367954802 /nfs/dbraw/zinc/95/48/02/367954802.db2.gz WCZSQMCHPIQZDQ-HNNXBMFYSA-N 2 1 262.397 2.339 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000173881345 367954806 /nfs/dbraw/zinc/95/48/06/367954806.db2.gz WCZSQMCHPIQZDQ-HNNXBMFYSA-N 2 1 262.397 2.339 20 0 CEADMP CC(C)CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000343829592 368027573 /nfs/dbraw/zinc/02/75/73/368027573.db2.gz MFFWKBLGVZHECM-ZBFHGGJFSA-N 2 1 270.461 2.494 20 0 CEADMP CC(C)CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000343829592 368027582 /nfs/dbraw/zinc/02/75/82/368027582.db2.gz MFFWKBLGVZHECM-ZBFHGGJFSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000344072621 368105368 /nfs/dbraw/zinc/10/53/68/368105368.db2.gz XVEDCZMRBKRNAA-OKILXGFUSA-N 2 1 295.471 2.238 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000345183663 368184362 /nfs/dbraw/zinc/18/43/62/368184362.db2.gz IVFWBJUIJQJHIQ-UHFFFAOYSA-N 2 1 282.391 2.224 20 0 CEADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H](c2ccccc2)O1 ZINC000178965254 368316835 /nfs/dbraw/zinc/31/68/35/368316835.db2.gz JMHOVRAFMLVERO-WMLDXEAASA-N 2 1 274.408 2.448 20 0 CEADMP CCN(CC)CC[N@@H+](CC(C)C)CC1CC[NH2+]CC1 ZINC000178979008 368317966 /nfs/dbraw/zinc/31/79/66/368317966.db2.gz ATDFGIUVVGFWIH-UHFFFAOYSA-N 2 1 269.477 2.286 20 0 CEADMP C[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000178732649 368310265 /nfs/dbraw/zinc/31/02/65/368310265.db2.gz CVUDZSYKWGEAMN-GEEKYZPCSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000178732649 368310270 /nfs/dbraw/zinc/31/02/70/368310270.db2.gz CVUDZSYKWGEAMN-GEEKYZPCSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000178732649 368310274 /nfs/dbraw/zinc/31/02/74/368310274.db2.gz CVUDZSYKWGEAMN-GEEKYZPCSA-N 2 1 268.445 2.464 20 0 CEADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000345700356 368377551 /nfs/dbraw/zinc/37/75/51/368377551.db2.gz XETKAPGEDPPLBN-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000682404105 541659066 /nfs/dbraw/zinc/65/90/66/541659066.db2.gz BPICZFIUSFPZIA-QGZVFWFLSA-N 2 1 292.423 2.325 20 0 CEADMP CC[C@@H](C)[N@H+](C)CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC000345798486 368426317 /nfs/dbraw/zinc/42/63/17/368426317.db2.gz XNAIEVBMWHIOEL-CQSZACIVSA-N 2 1 294.443 2.243 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC000345798486 368426319 /nfs/dbraw/zinc/42/63/19/368426319.db2.gz XNAIEVBMWHIOEL-CQSZACIVSA-N 2 1 294.443 2.243 20 0 CEADMP C[NH+](C)[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)C1CC1 ZINC000682640638 541691020 /nfs/dbraw/zinc/69/10/20/541691020.db2.gz HDZQRKJWQWUHBO-PCKAHOCUSA-N 2 1 266.429 2.408 20 0 CEADMP CCCC[N@@H+](CCO)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346163658 368569432 /nfs/dbraw/zinc/56/94/32/368569432.db2.gz BTLHWHAHNHTGKA-UHFFFAOYSA-N 2 1 288.395 2.170 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2COc3ccccc3O2)[C@H](C)C1 ZINC000346192509 368585964 /nfs/dbraw/zinc/58/59/64/368585964.db2.gz NLKKWISDVXNLQR-ILXRZTDVSA-N 2 1 290.407 2.146 20 0 CEADMP c1cn(CCC[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cn1 ZINC000182969075 368603203 /nfs/dbraw/zinc/60/32/03/368603203.db2.gz XYTJTFXTUJQIPK-NVXWUHKLSA-N 2 1 288.439 2.222 20 0 CEADMP c1cn(CCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000182969075 368603213 /nfs/dbraw/zinc/60/32/13/368603213.db2.gz XYTJTFXTUJQIPK-NVXWUHKLSA-N 2 1 288.439 2.222 20 0 CEADMP c1cn(CCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000182969075 368603222 /nfs/dbraw/zinc/60/32/22/368603222.db2.gz XYTJTFXTUJQIPK-NVXWUHKLSA-N 2 1 288.439 2.222 20 0 CEADMP c1cn(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000182969075 368603227 /nfs/dbraw/zinc/60/32/27/368603227.db2.gz XYTJTFXTUJQIPK-NVXWUHKLSA-N 3 1 288.439 2.222 20 0 CEADMP c1cn(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000182969075 368603234 /nfs/dbraw/zinc/60/32/34/368603234.db2.gz XYTJTFXTUJQIPK-NVXWUHKLSA-N 3 1 288.439 2.222 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCSC1 ZINC000183492121 368629840 /nfs/dbraw/zinc/62/98/40/368629840.db2.gz MZAHNOYEEPGXAA-AAEUAGOBSA-N 2 1 253.415 2.313 20 0 CEADMP Cc1ccc(OCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000358092728 370902809 /nfs/dbraw/zinc/90/28/09/370902809.db2.gz XPRNSFMIFPWWHJ-GOEBONIOSA-N 2 1 262.397 2.304 20 0 CEADMP CC/C=C/CC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000184676354 368710553 /nfs/dbraw/zinc/71/05/53/368710553.db2.gz OQILILKIBFOGKN-LAQIPUCWSA-N 2 1 279.472 2.445 20 0 CEADMP CC/C=C/CC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000184676354 368710558 /nfs/dbraw/zinc/71/05/58/368710558.db2.gz OQILILKIBFOGKN-LAQIPUCWSA-N 2 1 279.472 2.445 20 0 CEADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358149320 370924656 /nfs/dbraw/zinc/92/46/56/370924656.db2.gz YYDLBGDJHKDYMU-RCBBPTIPSA-N 2 1 294.826 2.400 20 0 CEADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358149320 370924663 /nfs/dbraw/zinc/92/46/63/370924663.db2.gz YYDLBGDJHKDYMU-RCBBPTIPSA-N 2 1 294.826 2.400 20 0 CEADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000639049480 370926641 /nfs/dbraw/zinc/92/66/41/370926641.db2.gz SLNSQRMBIGLHRL-ARFHVFGLSA-N 2 1 266.429 2.168 20 0 CEADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000639049480 370926645 /nfs/dbraw/zinc/92/66/45/370926645.db2.gz SLNSQRMBIGLHRL-ARFHVFGLSA-N 2 1 266.429 2.168 20 0 CEADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000639049483 370927696 /nfs/dbraw/zinc/92/76/96/370927696.db2.gz SLNSQRMBIGLHRL-XHSDSOJGSA-N 2 1 266.429 2.168 20 0 CEADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000639049483 370927700 /nfs/dbraw/zinc/92/77/00/370927700.db2.gz SLNSQRMBIGLHRL-XHSDSOJGSA-N 2 1 266.429 2.168 20 0 CEADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)CC1CCCCC1 ZINC000358123533 370914837 /nfs/dbraw/zinc/91/48/37/370914837.db2.gz WHXQPXHAXVZLOF-GDBMZVCRSA-N 2 1 268.445 2.249 20 0 CEADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)CC1CCCCC1 ZINC000358123533 370914841 /nfs/dbraw/zinc/91/48/41/370914841.db2.gz WHXQPXHAXVZLOF-GDBMZVCRSA-N 2 1 268.445 2.249 20 0 CEADMP COc1cc2c(c(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)c1)O[C@@H](C)C2 ZINC000346670643 368763095 /nfs/dbraw/zinc/76/30/95/368763095.db2.gz GRWJHANOAGRFPA-AGIUHOORSA-N 2 1 290.407 2.188 20 0 CEADMP CSC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCOCC1 ZINC000358180531 370939892 /nfs/dbraw/zinc/93/98/92/370939892.db2.gz AKCKPNHKZGXXOO-KBPBESRZSA-N 2 1 284.469 2.115 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000346693490 368776014 /nfs/dbraw/zinc/77/60/14/368776014.db2.gz NIKOVQPWZWLQBB-NWDGAFQWSA-N 2 1 288.370 2.385 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000185206257 368767604 /nfs/dbraw/zinc/76/76/04/368767604.db2.gz GSWYVFRPJADURT-CVEARBPZSA-N 2 1 298.471 2.279 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346640148 368747020 /nfs/dbraw/zinc/74/70/20/368747020.db2.gz AHWRSHYSLUZECE-UKRRQHHQSA-N 2 1 284.407 2.350 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000346647507 368749357 /nfs/dbraw/zinc/74/93/57/368749357.db2.gz AQWCXOSNEPVHLK-NWDGAFQWSA-N 2 1 288.370 2.385 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000185125303 368751373 /nfs/dbraw/zinc/75/13/73/368751373.db2.gz PWHWOMJFDAFQGQ-OAHLLOKOSA-N 2 1 288.395 2.133 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000346650559 368751722 /nfs/dbraw/zinc/75/17/22/368751722.db2.gz CSCHTMITJMQLFS-GXTWGEPZSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000346650559 368751729 /nfs/dbraw/zinc/75/17/29/368751729.db2.gz CSCHTMITJMQLFS-GXTWGEPZSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000346650559 368751733 /nfs/dbraw/zinc/75/17/33/368751733.db2.gz CSCHTMITJMQLFS-GXTWGEPZSA-N 2 1 270.380 2.246 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000634680108 368809314 /nfs/dbraw/zinc/80/93/14/368809314.db2.gz KQYWQLYMZYGLTI-INIZCTEOSA-N 2 1 298.471 2.423 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC000634680819 368810594 /nfs/dbraw/zinc/81/05/94/368810594.db2.gz BUSTYLIOBVYQLZ-OWCLPIDISA-N 2 1 298.471 2.423 20 0 CEADMP CCOCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666551 368839816 /nfs/dbraw/zinc/83/98/16/368839816.db2.gz GVGPJZJRDZKEKA-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)[C@@H](C)C1 ZINC000634733404 368845701 /nfs/dbraw/zinc/84/57/01/368845701.db2.gz DYYHGDRVSCTUFT-ZNMIVQPWSA-N 2 1 267.461 2.085 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@@H](C)C1 ZINC000634733404 368845705 /nfs/dbraw/zinc/84/57/05/368845705.db2.gz DYYHGDRVSCTUFT-ZNMIVQPWSA-N 3 1 267.461 2.085 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)[C@@H](C)C1 ZINC000634733404 368845711 /nfs/dbraw/zinc/84/57/11/368845711.db2.gz DYYHGDRVSCTUFT-ZNMIVQPWSA-N 3 1 267.461 2.085 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000346694427 368777836 /nfs/dbraw/zinc/77/78/36/368777836.db2.gz ULIUCTNMGMWLIX-CHWSQXEVSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000346694427 368777841 /nfs/dbraw/zinc/77/78/41/368777841.db2.gz ULIUCTNMGMWLIX-CHWSQXEVSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@H]([NH2+]CC(=O)NC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185677541 368842029 /nfs/dbraw/zinc/84/20/29/368842029.db2.gz ONQMADWATACQMA-UONOGXRCSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H]([NH2+]CC(=O)NC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185677541 368842034 /nfs/dbraw/zinc/84/20/34/368842034.db2.gz ONQMADWATACQMA-UONOGXRCSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H]([NH2+]CC(=O)NC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185677579 368842113 /nfs/dbraw/zinc/84/21/13/368842113.db2.gz ONQMADWATACQMA-KBPBESRZSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H]([NH2+]CC(=O)NC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185677579 368842117 /nfs/dbraw/zinc/84/21/17/368842117.db2.gz ONQMADWATACQMA-KBPBESRZSA-N 2 1 295.471 2.144 20 0 CEADMP CCc1nccn1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634647491 368794170 /nfs/dbraw/zinc/79/41/70/368794170.db2.gz ZFLVVEUFNRNBSD-KRWDZBQOSA-N 2 1 285.391 2.083 20 0 CEADMP CC[C@@H]1CC[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648383 368796042 /nfs/dbraw/zinc/79/60/42/368796042.db2.gz PUIRUHWOIBOWHH-SJORKVTESA-N 2 1 274.408 2.108 20 0 CEADMP CC[C@@H]1CC[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648383 368796046 /nfs/dbraw/zinc/79/60/46/368796046.db2.gz PUIRUHWOIBOWHH-SJORKVTESA-N 2 1 274.408 2.108 20 0 CEADMP CC[C@@H]1CC[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634648383 368796048 /nfs/dbraw/zinc/79/60/48/368796048.db2.gz PUIRUHWOIBOWHH-SJORKVTESA-N 2 1 274.408 2.108 20 0 CEADMP CC[C@@H]1CC[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634648383 368796051 /nfs/dbraw/zinc/79/60/51/368796051.db2.gz PUIRUHWOIBOWHH-SJORKVTESA-N 2 1 274.408 2.108 20 0 CEADMP CC(C)CNC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688205 368842857 /nfs/dbraw/zinc/84/28/57/368842857.db2.gz COJIVHRUANDHHQ-HUUCEWRRSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)CNC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185688205 368842863 /nfs/dbraw/zinc/84/28/63/368842863.db2.gz COJIVHRUANDHHQ-HUUCEWRRSA-N 2 1 295.471 2.001 20 0 CEADMP C[NH+]1CCN(C(=O)CC[NH2+]CCC2CCCCCC2)CC1 ZINC000348012600 368856969 /nfs/dbraw/zinc/85/69/69/368856969.db2.gz LIZWTCJOCNXWTN-UHFFFAOYSA-N 2 1 295.471 2.101 20 0 CEADMP CSC1(C[NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC000348039791 368868800 /nfs/dbraw/zinc/86/88/00/368868800.db2.gz JNXCBZNLQPNYNM-UHFFFAOYSA-N 2 1 253.415 2.457 20 0 CEADMP CCN(CC)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185718219 368848290 /nfs/dbraw/zinc/84/82/90/368848290.db2.gz SRXVCMGHYUDOEV-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCN(CC)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718219 368848295 /nfs/dbraw/zinc/84/82/95/368848295.db2.gz SRXVCMGHYUDOEV-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCc2nn(C)c3ccccc23)CC[N@H+]1C ZINC000186480526 368980790 /nfs/dbraw/zinc/98/07/90/368980790.db2.gz WDDXHOJOTSXKGV-KBPBESRZSA-N 2 1 286.423 2.188 20 0 CEADMP C[C@H]1C[C@@H](N(C)Cc2cc(O)cc(F)c2)CC[N@H+]1C ZINC000186241961 368944265 /nfs/dbraw/zinc/94/42/65/368944265.db2.gz QWXAZCREUZRFSB-FZMZJTMJSA-N 2 1 266.360 2.446 20 0 CEADMP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccn(C)n1 ZINC000635010248 369046858 /nfs/dbraw/zinc/04/68/58/369046858.db2.gz ZDWCBXFXXKXBMS-ZFWWWQNUSA-N 2 1 272.396 2.031 20 0 CEADMP C[C@H]1C[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)CC[C@H]1[NH3+] ZINC000634990820 369020286 /nfs/dbraw/zinc/02/02/86/369020286.db2.gz DTQILPVPAVXXJG-SUMWQHHRSA-N 2 1 296.418 2.500 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)CC[C@H]1[NH3+] ZINC000634990820 369020288 /nfs/dbraw/zinc/02/02/88/369020288.db2.gz DTQILPVPAVXXJG-SUMWQHHRSA-N 2 1 296.418 2.500 20 0 CEADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC12CC(C1)C[NH2+]2 ZINC000634992110 369020749 /nfs/dbraw/zinc/02/07/49/369020749.db2.gz DPQSZFZXHQDYSJ-LMDPOFIKSA-N 2 1 299.462 2.192 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000634998507 369029334 /nfs/dbraw/zinc/02/93/34/369029334.db2.gz GOFHXFYAJBGCFI-UKRRQHHQSA-N 2 1 284.407 2.114 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634998556 369031354 /nfs/dbraw/zinc/03/13/54/369031354.db2.gz HFOHQZYQVFEBSR-SMDDNHRTSA-N 2 1 278.444 2.282 20 0 CEADMP C[C@@H]1C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000634998966 369032316 /nfs/dbraw/zinc/03/23/16/369032316.db2.gz NOMJNGIINJRAGV-TZMCWYRMSA-N 2 1 270.380 2.103 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000634998966 369032318 /nfs/dbraw/zinc/03/23/18/369032318.db2.gz NOMJNGIINJRAGV-TZMCWYRMSA-N 2 1 270.380 2.103 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)c2nccn21 ZINC000635006950 369042663 /nfs/dbraw/zinc/04/26/63/369042663.db2.gz NFSKUOUXZGNTKF-KBMXLJTQSA-N 2 1 284.407 2.439 20 0 CEADMP C[C@@H]1C[C@@H](NCC[C@H]([NH3+])Cc2ccccc2)C[N@H+]1C1CC1 ZINC000635009072 369045503 /nfs/dbraw/zinc/04/55/03/369045503.db2.gz SSNZIIPGLNWXQD-HYVNUMGLSA-N 2 1 287.451 2.161 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)CN1C1CC1 ZINC000635009072 369045509 /nfs/dbraw/zinc/04/55/09/369045509.db2.gz SSNZIIPGLNWXQD-HYVNUMGLSA-N 2 1 287.451 2.161 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccon2)C1 ZINC000634952608 368987059 /nfs/dbraw/zinc/98/70/59/368987059.db2.gz DOJQRSRCSKQSOE-ZDUSSCGKSA-N 2 1 251.374 2.276 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC[C@H]2CCOC2)C1 ZINC000682805928 541716527 /nfs/dbraw/zinc/71/65/27/541716527.db2.gz QQNKNPFWGBTKLJ-LSDHHAIUSA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000682805928 541716530 /nfs/dbraw/zinc/71/65/30/541716530.db2.gz QQNKNPFWGBTKLJ-LSDHHAIUSA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000682805928 541716533 /nfs/dbraw/zinc/71/65/33/541716533.db2.gz QQNKNPFWGBTKLJ-LSDHHAIUSA-N 2 1 254.418 2.077 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)nc2C)C1 ZINC000187125043 369106513 /nfs/dbraw/zinc/10/65/13/369106513.db2.gz GKKDCZALNONPAR-HNNXBMFYSA-N 2 1 261.413 2.472 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)nc2C)C1 ZINC000187125043 369106516 /nfs/dbraw/zinc/10/65/16/369106516.db2.gz GKKDCZALNONPAR-HNNXBMFYSA-N 2 1 261.413 2.472 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000187125043 369106519 /nfs/dbraw/zinc/10/65/19/369106519.db2.gz GKKDCZALNONPAR-HNNXBMFYSA-N 2 1 261.413 2.472 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)nc2C)C1 ZINC000187125043 369106522 /nfs/dbraw/zinc/10/65/22/369106522.db2.gz GKKDCZALNONPAR-HNNXBMFYSA-N 2 1 261.413 2.472 20 0 CEADMP C[N@@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CCCCC1 ZINC000635217657 369107209 /nfs/dbraw/zinc/10/72/09/369107209.db2.gz WFLMHLHQWKFFAX-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC000635217657 369107212 /nfs/dbraw/zinc/10/72/12/369107212.db2.gz WFLMHLHQWKFFAX-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC000635217657 369107214 /nfs/dbraw/zinc/10/72/14/369107214.db2.gz WFLMHLHQWKFFAX-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCCc1cccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c1 ZINC000187335083 369140991 /nfs/dbraw/zinc/14/09/91/369140991.db2.gz PAXXTDRVTXNMJU-INIZCTEOSA-N 2 1 264.413 2.041 20 0 CEADMP CN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000348901091 369194979 /nfs/dbraw/zinc/19/49/79/369194979.db2.gz OLTNMYXAYMXMBF-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000187723357 369209445 /nfs/dbraw/zinc/20/94/45/369209445.db2.gz MYUQDEZGABCTOG-BFYDXBDKSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000187723357 369209448 /nfs/dbraw/zinc/20/94/48/369209448.db2.gz MYUQDEZGABCTOG-BFYDXBDKSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000187723357 369209450 /nfs/dbraw/zinc/20/94/50/369209450.db2.gz MYUQDEZGABCTOG-BFYDXBDKSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000187723357 369209454 /nfs/dbraw/zinc/20/94/54/369209454.db2.gz MYUQDEZGABCTOG-BFYDXBDKSA-N 2 1 276.424 2.352 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccccc1F ZINC000187763646 369218995 /nfs/dbraw/zinc/21/89/95/369218995.db2.gz HNALSFNGJLYOOO-CQSZACIVSA-N 2 1 282.403 2.315 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000349995382 369479517 /nfs/dbraw/zinc/47/95/17/369479517.db2.gz XWGXJZFGOMGCOG-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cnc(C3CC3)nc2)[C@H](C)C1 ZINC000358258772 370977429 /nfs/dbraw/zinc/97/74/29/370977429.db2.gz VQOJYHFUZKYKAD-CJNGLKHVSA-N 2 1 288.439 2.216 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000246538788 370975625 /nfs/dbraw/zinc/97/56/25/370975625.db2.gz SITMLQJIHRWHLR-GJZGRUSLSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358256675 370976606 /nfs/dbraw/zinc/97/66/06/370976606.db2.gz RGPHZHRTKNAFMG-HZPDHXFCSA-N 2 1 262.397 2.040 20 0 CEADMP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358256675 370976612 /nfs/dbraw/zinc/97/66/12/370976612.db2.gz RGPHZHRTKNAFMG-HZPDHXFCSA-N 2 1 262.397 2.040 20 0 CEADMP COc1cccc(COCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358233355 370963737 /nfs/dbraw/zinc/96/37/37/370963737.db2.gz OENNCIUZKSKZRV-RHSMWYFYSA-N 2 1 292.423 2.142 20 0 CEADMP CCC[NH+]1CCC(NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000358261527 370980202 /nfs/dbraw/zinc/98/02/02/370980202.db2.gz WBADDOVWZFSUSO-UHFFFAOYSA-N 2 1 265.445 2.102 20 0 CEADMP CCC[NH+]1CCC([NH2+]CCN2CC=C(C)CC2)CC1 ZINC000358261527 370980203 /nfs/dbraw/zinc/98/02/03/370980203.db2.gz WBADDOVWZFSUSO-UHFFFAOYSA-N 2 1 265.445 2.102 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC(OC(C)C)C1 ZINC000189515572 369529743 /nfs/dbraw/zinc/52/97/43/369529743.db2.gz WOAKEHYINMJBSY-LRVUVFPRSA-N 2 1 265.401 2.373 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCN(c4ccccc4)C3)C[C@@H]2C1 ZINC000639113734 370990746 /nfs/dbraw/zinc/99/07/46/370990746.db2.gz STPIYZKIRYJTIN-ZACQAIPSSA-N 2 1 285.435 2.006 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCN(c4ccccc4)C3)C[C@@H]2C1 ZINC000639113734 370990749 /nfs/dbraw/zinc/99/07/49/370990749.db2.gz STPIYZKIRYJTIN-ZACQAIPSSA-N 2 1 285.435 2.006 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCN(c4ccccc4)C3)C[C@@H]2C1 ZINC000639113734 370990752 /nfs/dbraw/zinc/99/07/52/370990752.db2.gz STPIYZKIRYJTIN-ZACQAIPSSA-N 2 1 285.435 2.006 20 0 CEADMP CCc1cccc(OCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000351497593 369638133 /nfs/dbraw/zinc/63/81/33/369638133.db2.gz UOVQNOOFHDCTML-XIRDDKMYSA-N 2 1 274.408 2.297 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC000352015899 369659042 /nfs/dbraw/zinc/65/90/42/369659042.db2.gz SXCKGUBTXJZUBW-KGLIPLIRSA-N 2 1 260.397 2.167 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000352535393 369775926 /nfs/dbraw/zinc/77/59/26/369775926.db2.gz QAXXBUUCEHUHSN-QGZVFWFLSA-N 2 1 290.455 2.485 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000352535393 369775929 /nfs/dbraw/zinc/77/59/29/369775929.db2.gz QAXXBUUCEHUHSN-QGZVFWFLSA-N 2 1 290.455 2.485 20 0 CEADMP CC(C)C[C@@H](CCO)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352757322 369869790 /nfs/dbraw/zinc/86/97/90/369869790.db2.gz TWZLIWQZHVQQFG-CYBMUJFWSA-N 2 1 299.484 2.339 20 0 CEADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]CC1(C)COC1 ZINC000352765330 369873942 /nfs/dbraw/zinc/87/39/42/369873942.db2.gz MYAIWXOYHWQENX-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]CC1(C)COC1 ZINC000352765330 369873945 /nfs/dbraw/zinc/87/39/45/369873945.db2.gz MYAIWXOYHWQENX-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C(C2CC2)C2CC2)s1 ZINC000352780193 369877120 /nfs/dbraw/zinc/87/71/20/369877120.db2.gz OCZODHRYJVGKKQ-UHFFFAOYSA-N 2 1 265.426 2.483 20 0 CEADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1sccc1Cl ZINC000193093905 369891713 /nfs/dbraw/zinc/89/17/13/369891713.db2.gz UVWZBIRREAXZTG-LLVKDONJSA-N 2 1 287.860 2.127 20 0 CEADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccc1C ZINC000194303354 370024611 /nfs/dbraw/zinc/02/46/11/370024611.db2.gz JNEJLMGPTOYEKF-HNNXBMFYSA-N 2 1 262.397 2.435 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](COC(F)F)C1 ZINC000353027542 369990163 /nfs/dbraw/zinc/99/01/63/369990163.db2.gz YADNIUKYFATHNW-NEPJUHHUSA-N 2 1 262.344 2.032 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353027542 369990165 /nfs/dbraw/zinc/99/01/65/369990165.db2.gz YADNIUKYFATHNW-NEPJUHHUSA-N 2 1 262.344 2.032 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353027542 369990167 /nfs/dbraw/zinc/99/01/67/369990167.db2.gz YADNIUKYFATHNW-NEPJUHHUSA-N 2 1 262.344 2.032 20 0 CEADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000637845291 370113225 /nfs/dbraw/zinc/11/32/25/370113225.db2.gz PCDGKTLAXUXYER-CQSZACIVSA-N 2 1 292.427 2.030 20 0 CEADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353494652 370115542 /nfs/dbraw/zinc/11/55/42/370115542.db2.gz DIARCRPXOIYXBN-LYYZXLFJSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000195121731 370107911 /nfs/dbraw/zinc/10/79/11/370107911.db2.gz BAFSLKNVUIUYGI-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353594621 370117131 /nfs/dbraw/zinc/11/71/31/370117131.db2.gz NIYYTGUUJORGEL-FPCVCCKLSA-N 2 1 267.461 2.179 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)n1 ZINC000353568197 370118009 /nfs/dbraw/zinc/11/80/09/370118009.db2.gz PBYYQXMPSLWELX-UONOGXRCSA-N 2 1 279.428 2.340 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)n1 ZINC000353568197 370118011 /nfs/dbraw/zinc/11/80/11/370118011.db2.gz PBYYQXMPSLWELX-UONOGXRCSA-N 2 1 279.428 2.340 20 0 CEADMP CO[C@@H](C[N@@H+](C)C1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000637890224 370150585 /nfs/dbraw/zinc/15/05/85/370150585.db2.gz WMYUYEFMUMCGIZ-KRWDZBQOSA-N 2 1 298.471 2.233 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000353971522 370158460 /nfs/dbraw/zinc/15/84/60/370158460.db2.gz KOGMMXUINQKWOO-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000353971522 370158462 /nfs/dbraw/zinc/15/84/62/370158462.db2.gz KOGMMXUINQKWOO-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCC[C@H]2CCO2)CC1 ZINC000637955205 370197252 /nfs/dbraw/zinc/19/72/52/370197252.db2.gz FWEUVAKNLNUPAS-HNNXBMFYSA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1CCCCC1 ZINC000354075506 370204828 /nfs/dbraw/zinc/20/48/28/370204828.db2.gz MRVORTRKRAMNIB-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[C@H](C[N@H+]1CC[C@H](C[NH+](CC)CC)C1)OC ZINC000638122569 370318082 /nfs/dbraw/zinc/31/80/82/370318082.db2.gz KQWXZDFLERWNFP-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000223197213 370261358 /nfs/dbraw/zinc/26/13/58/370261358.db2.gz XEDKAAQCYAQTPP-ZENOOKHLSA-N 2 1 262.397 2.253 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000223197213 370261361 /nfs/dbraw/zinc/26/13/61/370261361.db2.gz XEDKAAQCYAQTPP-ZENOOKHLSA-N 2 1 262.397 2.253 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCC(C)CC2)C[C@H]1C ZINC000354221545 370267541 /nfs/dbraw/zinc/26/75/41/370267541.db2.gz HCQAUQIOAVJLKU-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1cc(C[NH3+])oc1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000638055516 370271733 /nfs/dbraw/zinc/27/17/33/370271733.db2.gz IFJJAOYCOFDKFX-ZDUSSCGKSA-N 2 1 293.411 2.041 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000354335237 370321885 /nfs/dbraw/zinc/32/18/85/370321885.db2.gz QUXBWSXXAGHBOK-YESZJQIVSA-N 2 1 298.471 2.018 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC[C@@H]2CCO2)C1 ZINC000638128666 370323060 /nfs/dbraw/zinc/32/30/60/370323060.db2.gz WHQMJRQTDXCDIQ-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000638128666 370323064 /nfs/dbraw/zinc/32/30/64/370323064.db2.gz WHQMJRQTDXCDIQ-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC000638128666 370323066 /nfs/dbraw/zinc/32/30/66/370323066.db2.gz WHQMJRQTDXCDIQ-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC[C@@H]2CCO2)C1 ZINC000638128667 370323136 /nfs/dbraw/zinc/32/31/36/370323136.db2.gz WHQMJRQTDXCDIQ-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000638128667 370323139 /nfs/dbraw/zinc/32/31/39/370323139.db2.gz WHQMJRQTDXCDIQ-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC000638128667 370323144 /nfs/dbraw/zinc/32/31/44/370323144.db2.gz WHQMJRQTDXCDIQ-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CC[C@H](C)[C@H](C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1)OC ZINC000638116270 370313778 /nfs/dbraw/zinc/31/37/78/370313778.db2.gz JAVPWVLGCIEIHA-YJNKXOJESA-N 2 1 256.434 2.462 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000638116270 370313783 /nfs/dbraw/zinc/31/37/83/370313783.db2.gz JAVPWVLGCIEIHA-YJNKXOJESA-N 2 1 256.434 2.462 20 0 CEADMP CC[C@H](C)[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)OC ZINC000638116270 370313786 /nfs/dbraw/zinc/31/37/86/370313786.db2.gz JAVPWVLGCIEIHA-YJNKXOJESA-N 2 1 256.434 2.462 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000638116270 370313788 /nfs/dbraw/zinc/31/37/88/370313788.db2.gz JAVPWVLGCIEIHA-YJNKXOJESA-N 2 1 256.434 2.462 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000638116270 370313791 /nfs/dbraw/zinc/31/37/91/370313791.db2.gz JAVPWVLGCIEIHA-YJNKXOJESA-N 2 1 256.434 2.462 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC(C(F)F)C2)CCCO1 ZINC000683363699 541797350 /nfs/dbraw/zinc/79/73/50/541797350.db2.gz RXTJXJRKFXGXDO-HIFPTAJRSA-N 2 1 276.371 2.121 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(CCC[NH3+])CC2CCCC2)CC[N@H+]1C ZINC000638233432 370389463 /nfs/dbraw/zinc/38/94/63/370389463.db2.gz YNBGIMXIGUGHKR-JKSUJKDBSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC(C(F)F)C2)CCCO1 ZINC000683363699 541797352 /nfs/dbraw/zinc/79/73/52/541797352.db2.gz RXTJXJRKFXGXDO-HIFPTAJRSA-N 2 1 276.371 2.121 20 0 CEADMP CCC[C@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)OC ZINC000638135600 370329960 /nfs/dbraw/zinc/32/99/60/370329960.db2.gz ULOJRZUJYDNIOJ-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)OC ZINC000638135600 370329964 /nfs/dbraw/zinc/32/99/64/370329964.db2.gz ULOJRZUJYDNIOJ-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)OC ZINC000638135600 370329969 /nfs/dbraw/zinc/32/99/69/370329969.db2.gz ULOJRZUJYDNIOJ-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228533867 370404866 /nfs/dbraw/zinc/40/48/66/370404866.db2.gz IEHCLMNEKHNWBD-USXIJHARSA-N 2 1 287.407 2.204 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638368952 370477657 /nfs/dbraw/zinc/47/76/57/370477657.db2.gz CIDRMYOZZBKBJC-XHSDSOJGSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1nccs1 ZINC000230679497 370463661 /nfs/dbraw/zinc/46/36/61/370463661.db2.gz NHJKCTZAINOUOJ-JHJVBQTASA-N 2 1 265.426 2.463 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000638361948 370470789 /nfs/dbraw/zinc/47/07/89/370470789.db2.gz VYZFYVNGZKLAJI-QXSJWSMHSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000638361948 370470792 /nfs/dbraw/zinc/47/07/92/370470792.db2.gz VYZFYVNGZKLAJI-QXSJWSMHSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000638364033 370473960 /nfs/dbraw/zinc/47/39/60/370473960.db2.gz VWZRXNVQPFIFMD-KLHDSHLOSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000638364033 370473965 /nfs/dbraw/zinc/47/39/65/370473965.db2.gz VWZRXNVQPFIFMD-KLHDSHLOSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H](CO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638412930 370510948 /nfs/dbraw/zinc/51/09/48/370510948.db2.gz VBTQGECWYSEEGF-KMFMINBZSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638412930 370510950 /nfs/dbraw/zinc/51/09/50/370510950.db2.gz VBTQGECWYSEEGF-KMFMINBZSA-N 2 1 274.408 2.325 20 0 CEADMP C[NH2+]CCC[N@@H+](C)C1CCN(c2ccccc2)CC1 ZINC000234365460 370535326 /nfs/dbraw/zinc/53/53/26/370535326.db2.gz XVEJIJDTQRKBLN-UHFFFAOYSA-N 2 1 261.413 2.197 20 0 CEADMP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235698198 370574694 /nfs/dbraw/zinc/57/46/94/370574694.db2.gz OUGQHBJRHDXKDB-JQWIXIFHSA-N 2 1 253.415 2.271 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236809033 370633120 /nfs/dbraw/zinc/63/31/20/370633120.db2.gz FTUGSALJKWNIBS-HOCLYGCPSA-N 2 1 291.439 2.141 20 0 CEADMP CO[C@H](C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCCC1 ZINC000638619391 370638680 /nfs/dbraw/zinc/63/86/80/370638680.db2.gz MFAUZRQKVIFOHU-IAGOWNOFSA-N 2 1 298.471 2.018 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1COC2 ZINC000358298064 371000831 /nfs/dbraw/zinc/00/08/31/371000831.db2.gz HAHCAGYDNOZEMR-IRXDYDNUSA-N 2 1 272.392 2.433 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1COC2 ZINC000358298064 371000832 /nfs/dbraw/zinc/00/08/32/371000832.db2.gz HAHCAGYDNOZEMR-IRXDYDNUSA-N 2 1 272.392 2.433 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000247015272 371047385 /nfs/dbraw/zinc/04/73/85/371047385.db2.gz LMEFTTRQSABJRR-OGHNNQOOSA-N 2 1 289.423 2.463 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000247015272 371047389 /nfs/dbraw/zinc/04/73/89/371047389.db2.gz LMEFTTRQSABJRR-OGHNNQOOSA-N 2 1 289.423 2.463 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCCC[C@@H]2O)CC[N@H+]1C ZINC000358306641 371004862 /nfs/dbraw/zinc/00/48/62/371004862.db2.gz OHDICFSSSPDWIF-FPCVCCKLSA-N 2 1 268.445 2.390 20 0 CEADMP COC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000246813574 371015404 /nfs/dbraw/zinc/01/54/04/371015404.db2.gz AUZJBLTVGDJVPJ-HUUCEWRRSA-N 2 1 292.423 2.032 20 0 CEADMP COC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000246813574 371015411 /nfs/dbraw/zinc/01/54/11/371015411.db2.gz AUZJBLTVGDJVPJ-HUUCEWRRSA-N 2 1 292.423 2.032 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000246970539 371039391 /nfs/dbraw/zinc/03/93/91/371039391.db2.gz IIANMMOOYDKARV-XUWVNRHRSA-N 2 1 270.461 2.349 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000639170788 371042331 /nfs/dbraw/zinc/04/23/31/371042331.db2.gz YRMYTJNLGZNNNQ-QXSJWSMHSA-N 2 1 278.440 2.264 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)[C@]12CCCO2 ZINC000639169742 371042347 /nfs/dbraw/zinc/04/23/47/371042347.db2.gz JJGJHUNXXCYQMP-MWDXBVQZSA-N 2 1 296.455 2.033 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(C)n1 ZINC000639170049 371042982 /nfs/dbraw/zinc/04/29/82/371042982.db2.gz OWYCANACCPIROR-DOMZBBRYSA-N 2 1 276.428 2.474 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(C)n1 ZINC000639170049 371042988 /nfs/dbraw/zinc/04/29/88/371042988.db2.gz OWYCANACCPIROR-DOMZBBRYSA-N 2 1 276.428 2.474 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)sn1 ZINC000639178119 371057271 /nfs/dbraw/zinc/05/72/71/371057271.db2.gz ZCTMGYBUYMMBBC-ZDUSSCGKSA-N 2 1 295.452 2.315 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000247060928 371057789 /nfs/dbraw/zinc/05/77/89/371057789.db2.gz NUKGRXYWHVRMRV-WMZOPIPTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000247060928 371057792 /nfs/dbraw/zinc/05/77/92/371057792.db2.gz NUKGRXYWHVRMRV-WMZOPIPTSA-N 2 1 289.467 2.438 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(CO)cc2)C1 ZINC000639180843 371061610 /nfs/dbraw/zinc/06/16/10/371061610.db2.gz ZNQBMCQHRDFYKJ-SJORKVTESA-N 2 1 274.408 2.095 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(CO)cc2)C1 ZINC000639180843 371061614 /nfs/dbraw/zinc/06/16/14/371061614.db2.gz ZNQBMCQHRDFYKJ-SJORKVTESA-N 2 1 274.408 2.095 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(CO)cc2)C1 ZINC000639180843 371061623 /nfs/dbraw/zinc/06/16/23/371061623.db2.gz ZNQBMCQHRDFYKJ-SJORKVTESA-N 2 1 274.408 2.095 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(Cc3ccnn3CC3CCC3)C2)C1 ZINC000639204042 371090917 /nfs/dbraw/zinc/09/09/17/371090917.db2.gz OCTCHADRUNJLDU-KRWDZBQOSA-N 2 1 288.439 2.211 20 0 CEADMP Cc1cc(C)c(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cn1 ZINC000639238557 371132591 /nfs/dbraw/zinc/13/25/91/371132591.db2.gz BBYBSUOJNPZJDI-UHFFFAOYSA-N 2 1 291.439 2.023 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247980515 371152318 /nfs/dbraw/zinc/15/23/18/371152318.db2.gz MILNOMSTHVDATP-OGHNNQOOSA-N 2 1 289.423 2.463 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3ccccn3)CC[C@H]21 ZINC000248071277 371158756 /nfs/dbraw/zinc/15/87/56/371158756.db2.gz MOXOHHKCEOIGDL-GDBMZVCRSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3ccccn3)CC[C@H]21 ZINC000248071277 371158760 /nfs/dbraw/zinc/15/87/60/371158760.db2.gz MOXOHHKCEOIGDL-GDBMZVCRSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccccn3)CC[C@H]21 ZINC000248071277 371158766 /nfs/dbraw/zinc/15/87/66/371158766.db2.gz MOXOHHKCEOIGDL-GDBMZVCRSA-N 2 1 259.397 2.040 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248396795 371186202 /nfs/dbraw/zinc/18/62/02/371186202.db2.gz HJNWEOHSJZKWAD-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248396795 371186205 /nfs/dbraw/zinc/18/62/05/371186205.db2.gz HJNWEOHSJZKWAD-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248396795 371186207 /nfs/dbraw/zinc/18/62/07/371186207.db2.gz HJNWEOHSJZKWAD-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP OCCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248655963 371231768 /nfs/dbraw/zinc/23/17/68/371231768.db2.gz CEVDKSRVUIVCOU-OKZBNKHCSA-N 2 1 288.435 2.259 20 0 CEADMP C(C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C[C@H]1CCO1 ZINC000639338733 371249861 /nfs/dbraw/zinc/24/98/61/371249861.db2.gz VLFOAXNCVSIINN-HOTGVXAUSA-N 2 1 266.429 2.267 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000248996662 371280725 /nfs/dbraw/zinc/28/07/25/371280725.db2.gz ZTUIAKXYKXNYDA-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000248996662 371280731 /nfs/dbraw/zinc/28/07/31/371280731.db2.gz ZTUIAKXYKXNYDA-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000248996662 371280735 /nfs/dbraw/zinc/28/07/35/371280735.db2.gz ZTUIAKXYKXNYDA-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000639377451 371287418 /nfs/dbraw/zinc/28/74/18/371287418.db2.gz DAYOFSAOQHJGFJ-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CC2CCCC2)C1 ZINC000249063817 371289114 /nfs/dbraw/zinc/28/91/14/371289114.db2.gz JXXCJFQHXULHSS-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000249063817 371289117 /nfs/dbraw/zinc/28/91/17/371289117.db2.gz JXXCJFQHXULHSS-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000249063817 371289118 /nfs/dbraw/zinc/28/91/18/371289118.db2.gz JXXCJFQHXULHSS-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000249078330 371291749 /nfs/dbraw/zinc/29/17/49/371291749.db2.gz MCROCRNGEDASKV-FYRZTWFESA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@]1(O)CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000639382605 371293505 /nfs/dbraw/zinc/29/35/05/371293505.db2.gz UHHVOHUXOQNTPJ-INIZCTEOSA-N 2 1 286.379 2.004 20 0 CEADMP CC[C@@H](C(=O)OC(C)(C)C)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000248911828 371269898 /nfs/dbraw/zinc/26/98/98/371269898.db2.gz YGYZHMFBTYYLRK-KBPBESRZSA-N 2 1 284.444 2.380 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCc2ccccc2C)[C@@H](CN)C1 ZINC000359052926 371319217 /nfs/dbraw/zinc/31/92/17/371319217.db2.gz HFIZQRIEHNLCIA-SJORKVTESA-N 2 1 276.424 2.366 20 0 CEADMP CO[C@H]1CC[N@H+](CCCc2ccccc2C)[C@@H](C[NH3+])C1 ZINC000359052926 371319225 /nfs/dbraw/zinc/31/92/25/371319225.db2.gz HFIZQRIEHNLCIA-SJORKVTESA-N 2 1 276.424 2.366 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCc2ccccc2C)[C@@H](C[NH3+])C1 ZINC000359052926 371319232 /nfs/dbraw/zinc/31/92/32/371319232.db2.gz HFIZQRIEHNLCIA-SJORKVTESA-N 2 1 276.424 2.366 20 0 CEADMP C1CC1[N@@H+]1CC[C@H](N[C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250942160 371394254 /nfs/dbraw/zinc/39/42/54/371394254.db2.gz ZQSSSMCPOCBRPO-LLLHUVSDSA-N 2 1 277.456 2.124 20 0 CEADMP C1CC1[N@H+]1CC[C@H](N[C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250942160 371394258 /nfs/dbraw/zinc/39/42/58/371394258.db2.gz ZQSSSMCPOCBRPO-LLLHUVSDSA-N 2 1 277.456 2.124 20 0 CEADMP c1ccc2c(c1)cccc2OCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359309054 371421253 /nfs/dbraw/zinc/42/12/53/371421253.db2.gz PADAFVXNEWWEJB-IYBDPMFKSA-N 2 1 282.387 2.370 20 0 CEADMP C[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)O1 ZINC000251806838 371417611 /nfs/dbraw/zinc/41/76/11/371417611.db2.gz MFHQBEJLYFMSHF-KBUPBQIOSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)O1 ZINC000251806838 371417616 /nfs/dbraw/zinc/41/76/16/371417616.db2.gz MFHQBEJLYFMSHF-KBUPBQIOSA-N 2 1 252.402 2.160 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000639508251 371371415 /nfs/dbraw/zinc/37/14/15/371371415.db2.gz UTCVSYQQABTTHR-QLFBSQMISA-N 2 1 254.418 2.075 20 0 CEADMP COc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1O ZINC000359215831 371378407 /nfs/dbraw/zinc/37/84/07/371378407.db2.gz IXEVWOMPFSLMRO-UHFFFAOYSA-N 2 1 278.396 2.222 20 0 CEADMP c1ccc2c(c1)OC[C@H](C[NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)O2 ZINC000250521857 371385599 /nfs/dbraw/zinc/38/55/99/371385599.db2.gz CNINRUDVHWUTNI-KKUMJFAQSA-N 2 1 288.391 2.043 20 0 CEADMP c1ccc2c(c1)OC[C@H](C[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)O2 ZINC000250521857 371385606 /nfs/dbraw/zinc/38/56/06/371385606.db2.gz CNINRUDVHWUTNI-KKUMJFAQSA-N 2 1 288.391 2.043 20 0 CEADMP COCc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252866873 371485741 /nfs/dbraw/zinc/48/57/41/371485741.db2.gz QPEBODVGYOPJDX-ULQDDVLXSA-N 2 1 274.408 2.392 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@@H]2C)[C@H](C)C1 ZINC000639589293 371427483 /nfs/dbraw/zinc/42/74/83/371427483.db2.gz LMZVTGTWOOCQOX-NCOADZHNSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H]1C ZINC000252200442 371434881 /nfs/dbraw/zinc/43/48/81/371434881.db2.gz TXUYOYPNDOGORF-OHFALNGGSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H]1C ZINC000252200442 371434883 /nfs/dbraw/zinc/43/48/83/371434883.db2.gz TXUYOYPNDOGORF-OHFALNGGSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000252563322 371456920 /nfs/dbraw/zinc/45/69/20/371456920.db2.gz XHEDWFSAIJPEEN-BPUTZDHNSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000252563322 371456925 /nfs/dbraw/zinc/45/69/25/371456925.db2.gz XHEDWFSAIJPEEN-BPUTZDHNSA-N 2 1 266.429 2.408 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1O ZINC000252673907 371466573 /nfs/dbraw/zinc/46/65/73/371466573.db2.gz NOLSRASIJDWHES-KBPBESRZSA-N 2 1 276.380 2.117 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1O ZINC000252673907 371466577 /nfs/dbraw/zinc/46/65/77/371466577.db2.gz NOLSRASIJDWHES-KBPBESRZSA-N 2 1 276.380 2.117 20 0 CEADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccco1 ZINC000359563085 371471702 /nfs/dbraw/zinc/47/17/02/371471702.db2.gz SEAYMVJTZBQNSV-KBPBESRZSA-N 2 1 295.427 2.165 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000252713336 371472311 /nfs/dbraw/zinc/47/23/11/371472311.db2.gz OXDBRMKVLMMRIK-ILXRZTDVSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000252713336 371472315 /nfs/dbraw/zinc/47/23/15/371472315.db2.gz OXDBRMKVLMMRIK-ILXRZTDVSA-N 2 1 266.429 2.408 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000252711430 371472590 /nfs/dbraw/zinc/47/25/90/371472590.db2.gz JLTZGJNMLBGANA-CZUORRHYSA-N 2 1 262.397 2.168 20 0 CEADMP c1cc(N2CCC[N@H+](C[C@@H]3CCCCO3)CC2)cc[nH+]1 ZINC000639681293 371491622 /nfs/dbraw/zinc/49/16/22/371491622.db2.gz JGQATICCYMOCKZ-INIZCTEOSA-N 2 1 275.396 2.163 20 0 CEADMP CC(C)CCOCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252853116 371482406 /nfs/dbraw/zinc/48/24/06/371482406.db2.gz IYXYEIAEJPPLBE-SOUVJXGZSA-N 2 1 254.418 2.108 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000360329374 371511769 /nfs/dbraw/zinc/51/17/69/371511769.db2.gz LXVRPESJJYDRIX-FXUDXRNXSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000360329374 371511773 /nfs/dbraw/zinc/51/17/73/371511773.db2.gz LXVRPESJJYDRIX-FXUDXRNXSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000360329374 371511776 /nfs/dbraw/zinc/51/17/76/371511776.db2.gz LXVRPESJJYDRIX-FXUDXRNXSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000360329374 371511783 /nfs/dbraw/zinc/51/17/83/371511783.db2.gz LXVRPESJJYDRIX-FXUDXRNXSA-N 2 1 267.461 2.037 20 0 CEADMP COC1(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCC1 ZINC000336795332 213638547 /nfs/dbraw/zinc/63/85/47/213638547.db2.gz JSOXADZLOIEPDT-MGPQQGTHSA-N 2 1 254.418 2.264 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c(OC)c1 ZINC000360708036 371531118 /nfs/dbraw/zinc/53/11/18/371531118.db2.gz PWWMQZWUCYKHFM-CZUORRHYSA-N 2 1 292.423 2.176 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)CC3CCCC3)C2)CC1 ZINC000639756494 371546276 /nfs/dbraw/zinc/54/62/76/371546276.db2.gz VZCSYHNXFIELEX-MRXNPFEDSA-N 2 1 280.456 2.345 20 0 CEADMP CCc1cnc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC000639758196 371548101 /nfs/dbraw/zinc/54/81/01/371548101.db2.gz QFAFIFUQUZAMKS-UHFFFAOYSA-N 2 1 263.385 2.155 20 0 CEADMP Cc1nc(CC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639758072 371548419 /nfs/dbraw/zinc/54/84/19/371548419.db2.gz RUINWPBAXSLGPB-UHFFFAOYSA-N 2 1 279.453 2.412 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760660 371548945 /nfs/dbraw/zinc/54/89/45/371548945.db2.gz ZDDKELVELIUJBC-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCc1noc([C@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639759780 371549222 /nfs/dbraw/zinc/54/92/22/371549222.db2.gz JLATZOGGAWNXCU-LBPRGKRZSA-N 2 1 278.400 2.111 20 0 CEADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763628 371550543 /nfs/dbraw/zinc/55/05/43/371550543.db2.gz XICNRLASDCPOMQ-NVXWUHKLSA-N 2 1 276.424 2.445 20 0 CEADMP COc1ncccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684476 371492918 /nfs/dbraw/zinc/49/29/18/371492918.db2.gz VLFSRWYGVMCZRS-UHFFFAOYSA-N 2 1 298.390 2.198 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000359972300 371495315 /nfs/dbraw/zinc/49/53/15/371495315.db2.gz VRQHIXKWQZEFDM-UXLLHSPISA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000359972300 371495320 /nfs/dbraw/zinc/49/53/20/371495320.db2.gz VRQHIXKWQZEFDM-UXLLHSPISA-N 2 1 279.472 2.323 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1OC ZINC000261590041 371666206 /nfs/dbraw/zinc/66/62/06/371666206.db2.gz WQWVQMCWSMSFNT-VWYCJHECSA-N 2 1 252.358 2.090 20 0 CEADMP COc1ccc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cc1F ZINC000261561588 371649883 /nfs/dbraw/zinc/64/98/83/371649883.db2.gz FZNRKWJMKJUDSV-AWEZNQCLSA-N 2 1 254.349 2.297 20 0 CEADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000361220028 371723059 /nfs/dbraw/zinc/72/30/59/371723059.db2.gz HYIUKVMUPIKJCT-UKRRQHHQSA-N 2 1 277.412 2.300 20 0 CEADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000361220028 371723066 /nfs/dbraw/zinc/72/30/66/371723066.db2.gz HYIUKVMUPIKJCT-UKRRQHHQSA-N 2 1 277.412 2.300 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000261762019 371723633 /nfs/dbraw/zinc/72/36/33/371723633.db2.gz LUBIMQQMDZQGRQ-KRWDZBQOSA-N 2 1 284.407 2.102 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000261762019 371723638 /nfs/dbraw/zinc/72/36/38/371723638.db2.gz LUBIMQQMDZQGRQ-KRWDZBQOSA-N 2 1 284.407 2.102 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000261782210 371729527 /nfs/dbraw/zinc/72/95/27/371729527.db2.gz FNQOMHFUMHEMRX-MRXNPFEDSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000361237687 371731840 /nfs/dbraw/zinc/73/18/40/371731840.db2.gz PYIIGMPASAVILU-KGLIPLIRSA-N 2 1 265.401 2.373 20 0 CEADMP COC[C@H](CC(C)C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361182438 371701003 /nfs/dbraw/zinc/70/10/03/371701003.db2.gz ARPINVWPNPISOJ-INIZCTEOSA-N 2 1 298.471 2.282 20 0 CEADMP COCC[C@H]1CCCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261831678 371746487 /nfs/dbraw/zinc/74/64/87/371746487.db2.gz JEEAUNVQOJEJFQ-HUUCEWRRSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000361264541 371748886 /nfs/dbraw/zinc/74/88/86/371748886.db2.gz ZQNHJNBQSDNTGG-MFKMUULPSA-N 2 1 283.335 2.049 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CCC(C)C)C1 ZINC000361275896 371754874 /nfs/dbraw/zinc/75/48/74/371754874.db2.gz CGXQIEMUKQBVGQ-GJZGRUSLSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CCC(C)C)C1 ZINC000361275896 371754878 /nfs/dbraw/zinc/75/48/78/371754878.db2.gz CGXQIEMUKQBVGQ-GJZGRUSLSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CCC(C)C)C1 ZINC000361275896 371754880 /nfs/dbraw/zinc/75/48/80/371754880.db2.gz CGXQIEMUKQBVGQ-GJZGRUSLSA-N 2 1 256.434 2.057 20 0 CEADMP C[N@H+](CCOc1ccccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000261902874 371766701 /nfs/dbraw/zinc/76/67/01/371766701.db2.gz WMGWAYIBWUAVNW-OAHLLOKOSA-N 2 1 266.360 2.136 20 0 CEADMP C[N@@H+](CCOc1ccccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000261902874 371766707 /nfs/dbraw/zinc/76/67/07/371766707.db2.gz WMGWAYIBWUAVNW-OAHLLOKOSA-N 2 1 266.360 2.136 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261918540 371771202 /nfs/dbraw/zinc/77/12/02/371771202.db2.gz KEXMRXGWYOKLLE-WFASDCNBSA-N 2 1 299.422 2.053 20 0 CEADMP Fc1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261988650 371790006 /nfs/dbraw/zinc/79/00/06/371790006.db2.gz SLXPYQOSWQNACT-ARFHVFGLSA-N 2 1 296.361 2.212 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000261998157 371795257 /nfs/dbraw/zinc/79/52/57/371795257.db2.gz TVWMPSZPZFAHBD-ZDUSSCGKSA-N 2 1 262.397 2.299 20 0 CEADMP CC[C@@H](C)C[N@@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000361347556 371798645 /nfs/dbraw/zinc/79/86/45/371798645.db2.gz WBIVTBKWKRVNOM-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000262714514 371901356 /nfs/dbraw/zinc/90/13/56/371901356.db2.gz TXLJXGFWKQYPMC-UXLLHSPISA-N 2 1 297.487 2.378 20 0 CEADMP CCN(CC[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000262913257 371922819 /nfs/dbraw/zinc/92/28/19/371922819.db2.gz FZPIMBOOYBOTGE-GOEBONIOSA-N 2 1 261.413 2.103 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])[N@H+]1CCCC[C@H]1C ZINC000263102490 371929498 /nfs/dbraw/zinc/92/94/98/371929498.db2.gz ZOGARUHPIPLGKK-AIANPOQGSA-N 2 1 295.471 2.273 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000361611146 371976864 /nfs/dbraw/zinc/97/68/64/371976864.db2.gz QFCUPBNURDCOAI-HNNXBMFYSA-N 2 1 295.471 2.276 20 0 CEADMP CC(C)N1CC[C@H]([N@@H+](C)CCCC[NH+]2CCCCC2)C1=O ZINC000640532637 372021878 /nfs/dbraw/zinc/02/18/78/372021878.db2.gz HERQRQXZULVTKY-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC000344171097 217083216 /nfs/dbraw/zinc/08/32/16/217083216.db2.gz PDXCOIMOEMWFJH-UHFFFAOYSA-N 2 1 276.409 2.118 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C(F)F ZINC000361967341 372150084 /nfs/dbraw/zinc/15/00/84/372150084.db2.gz SHBKPULLJOMIDT-BPLDGKMQSA-N 2 1 298.377 2.113 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C(F)F ZINC000361967341 372150090 /nfs/dbraw/zinc/15/00/90/372150090.db2.gz SHBKPULLJOMIDT-BPLDGKMQSA-N 2 1 298.377 2.113 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCO2)[C@H](C)C1 ZINC000362010772 372170582 /nfs/dbraw/zinc/17/05/82/372170582.db2.gz DFZDMDISXAQJFZ-IXDOHACOSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccs1 ZINC000268821772 372239721 /nfs/dbraw/zinc/23/97/21/372239721.db2.gz HTWAXYYBPLVNEP-LBPRGKRZSA-N 2 1 268.426 2.246 20 0 CEADMP COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268719858 372194020 /nfs/dbraw/zinc/19/40/20/372194020.db2.gz OBUJBQHXOLMTQL-GDBMZVCRSA-N 2 1 262.397 2.133 20 0 CEADMP COCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268719858 372194028 /nfs/dbraw/zinc/19/40/28/372194028.db2.gz OBUJBQHXOLMTQL-GDBMZVCRSA-N 2 1 262.397 2.133 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000268843280 372251372 /nfs/dbraw/zinc/25/13/72/372251372.db2.gz NYJSZBOKQNFEPR-QGZVFWFLSA-N 2 1 274.408 2.110 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)OC(C)C)C[C@H]1C ZINC000362180589 372261155 /nfs/dbraw/zinc/26/11/55/372261155.db2.gz INCDUPNDJKRBSA-KGLIPLIRSA-N 2 1 270.417 2.133 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)OC(C)C)C[C@H]1C ZINC000362180589 372261158 /nfs/dbraw/zinc/26/11/58/372261158.db2.gz INCDUPNDJKRBSA-KGLIPLIRSA-N 2 1 270.417 2.133 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)OC(C)C)C[C@H]1C ZINC000362180589 372261162 /nfs/dbraw/zinc/26/11/62/372261162.db2.gz INCDUPNDJKRBSA-KGLIPLIRSA-N 2 1 270.417 2.133 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCn2cnc3ccccc32)CC[N@H+]1C ZINC000268880631 372269777 /nfs/dbraw/zinc/26/97/77/372269777.db2.gz ZTHCWEXIOROZMO-ZIAGYGMSSA-N 2 1 272.396 2.109 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@](C)(O)c1cccs1 ZINC000268964985 372303151 /nfs/dbraw/zinc/30/31/51/372303151.db2.gz GUFJSBASQZTISJ-BHPKHCPMSA-N 2 1 282.453 2.274 20 0 CEADMP C[N@@H+](C[C@@H]1CCCCO1)C1CC[NH+](C2CCOCC2)CC1 ZINC000362425599 372357759 /nfs/dbraw/zinc/35/77/59/372357759.db2.gz RQZMKBWGQABZAN-KRWDZBQOSA-N 2 1 296.455 2.131 20 0 CEADMP CN(C)c1cc(NC(=O)C[C@H]([NH3+])c2ccccc2)cc[nH+]1 ZINC000269482041 372463991 /nfs/dbraw/zinc/46/39/91/372463991.db2.gz GBZHTZSIFUDVJA-AWEZNQCLSA-N 2 1 284.363 2.176 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000362699088 372491621 /nfs/dbraw/zinc/49/16/21/372491621.db2.gz SJWXVEVQWSETTQ-SMDDNHRTSA-N 2 1 284.363 2.213 20 0 CEADMP CC(C)[NH+](CCC[NH2+]Cc1ccncc1N)C(C)C ZINC000641732855 372669057 /nfs/dbraw/zinc/66/90/57/372669057.db2.gz ZERUKOHYVKTFST-UHFFFAOYSA-N 2 1 264.417 2.262 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(C)s1 ZINC000641773722 372717744 /nfs/dbraw/zinc/71/77/44/372717744.db2.gz ZNQNCIHEJCGCBI-CYBMUJFWSA-N 2 1 270.442 2.239 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nsc2ccccc21 ZINC000641799617 372740515 /nfs/dbraw/zinc/74/05/15/372740515.db2.gz YLEJLSKZJJNXSM-GHMZBOCLSA-N 2 1 261.394 2.465 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nsc2ccccc21 ZINC000641799617 372740520 /nfs/dbraw/zinc/74/05/20/372740520.db2.gz YLEJLSKZJJNXSM-GHMZBOCLSA-N 2 1 261.394 2.465 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000641818398 372764799 /nfs/dbraw/zinc/76/47/99/372764799.db2.gz DFIDIBWMRIRGKK-DZKIICNBSA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000641818398 372764807 /nfs/dbraw/zinc/76/48/07/372764807.db2.gz DFIDIBWMRIRGKK-DZKIICNBSA-N 2 1 264.413 2.291 20 0 CEADMP CC1(C)[C@H]([NH2+]Cc2cccnc2C(F)(F)F)C[C@@H]1[NH3+] ZINC000641800867 372743330 /nfs/dbraw/zinc/74/33/30/372743330.db2.gz HNFCYTKOJXSUNP-VHSXEESVSA-N 2 1 273.302 2.316 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ncccc1C(F)(F)F ZINC000641801288 372743900 /nfs/dbraw/zinc/74/39/00/372743900.db2.gz OYKNWKPHZBWEPD-MNOVXSKESA-N 2 1 273.302 2.316 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(F)c(F)c1 ZINC000641803126 372747713 /nfs/dbraw/zinc/74/77/13/372747713.db2.gz FGKKSPDXVRNRPG-HJIKLVIJSA-N 2 1 297.349 2.007 20 0 CEADMP CCCCN(CCCC)C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641809325 372757018 /nfs/dbraw/zinc/75/70/18/372757018.db2.gz WCXSFULIVNTUSD-UONOGXRCSA-N 2 1 283.460 2.131 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000641797392 372738436 /nfs/dbraw/zinc/73/84/36/372738436.db2.gz BTSDAYHBAPQUHK-JQWIXIFHSA-N 2 1 251.374 2.105 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000641797392 372738439 /nfs/dbraw/zinc/73/84/39/372738439.db2.gz BTSDAYHBAPQUHK-JQWIXIFHSA-N 2 1 251.374 2.105 20 0 CEADMP [NH3+]C1(c2noc([C@H]3CCn4c[nH+]cc4C3)n2)CCCCC1 ZINC000333239545 205145395 /nfs/dbraw/zinc/14/53/95/205145395.db2.gz APRZFZJOESGGOO-NSHDSACASA-N 2 1 287.367 2.114 20 0 CEADMP CCc1nc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cs1 ZINC000344678816 217272038 /nfs/dbraw/zinc/27/20/38/217272038.db2.gz XERKIHGHVSIWHH-UHFFFAOYSA-N 2 1 297.468 2.030 20 0 CEADMP Cc1csc(C(C)(C)[NH2+]CCn2cc[nH+]c2C)n1 ZINC000270668919 372893417 /nfs/dbraw/zinc/89/34/17/372893417.db2.gz QWLZLAOIBVGFNA-UHFFFAOYSA-N 2 1 264.398 2.481 20 0 CEADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000333317535 205213658 /nfs/dbraw/zinc/21/36/58/205213658.db2.gz TWBSOXHFLJBSAC-CBBWQLFWSA-N 2 1 288.439 2.167 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000353486361 220109352 /nfs/dbraw/zinc/10/93/52/220109352.db2.gz XQRDWWSRJXNCFM-RRFJBIMHSA-N 2 1 255.450 2.179 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353486361 220109353 /nfs/dbraw/zinc/10/93/53/220109353.db2.gz XQRDWWSRJXNCFM-RRFJBIMHSA-N 2 1 255.450 2.179 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353486361 220109355 /nfs/dbraw/zinc/10/93/55/220109355.db2.gz XQRDWWSRJXNCFM-RRFJBIMHSA-N 2 1 255.450 2.179 20 0 CEADMP COc1cccc2c(N(C)[C@H]3CC[NH2+]C3)cc(C)[nH+]c12 ZINC000643007000 372910560 /nfs/dbraw/zinc/91/05/60/372910560.db2.gz JGSGCSKGCJBHKX-LBPRGKRZSA-N 2 1 271.364 2.350 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@H]3CCC[NH2+][C@@H]3C)CC2)n1 ZINC000333340527 205234771 /nfs/dbraw/zinc/23/47/71/205234771.db2.gz XYLGYOHXQCMROL-OFVDZJKFSA-N 2 1 278.400 2.134 20 0 CEADMP CCOC(=O)CC[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000365738585 372923371 /nfs/dbraw/zinc/92/33/71/372923371.db2.gz CCZUKZDLPLBBNQ-UHFFFAOYSA-N 2 1 291.395 2.220 20 0 CEADMP CC(C)[NH+](CCCN[C@H]1C[N@@H+](C)C[C@H]1C)C(C)C ZINC000344713101 217286253 /nfs/dbraw/zinc/28/62/53/217286253.db2.gz PTXRLIXAEXAYSC-CABCVRRESA-N 2 1 255.450 2.035 20 0 CEADMP c1cc2c(s1)CCC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000643057883 372938748 /nfs/dbraw/zinc/93/87/48/372938748.db2.gz USBYYYYDMXVWSJ-LBPRGKRZSA-N 2 1 250.411 2.496 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000353501238 220119085 /nfs/dbraw/zinc/11/90/85/220119085.db2.gz LUSXUIYUQCAGBA-GJZGRUSLSA-N 2 1 283.460 2.144 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000353499707 220120684 /nfs/dbraw/zinc/12/06/84/220120684.db2.gz HCCAYERQVRHDCC-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000353499707 220120686 /nfs/dbraw/zinc/12/06/86/220120686.db2.gz HCCAYERQVRHDCC-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000353499707 220120689 /nfs/dbraw/zinc/12/06/89/220120689.db2.gz HCCAYERQVRHDCC-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](NCCC[NH+](C(C)C)C(C)C)C1 ZINC000344729428 217291258 /nfs/dbraw/zinc/29/12/58/217291258.db2.gz XPLHYTVWIZRANN-HZPDHXFCSA-N 2 1 269.477 2.425 20 0 CEADMP CCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365913066 372954981 /nfs/dbraw/zinc/95/49/81/372954981.db2.gz VPAWUOPEKSKVDB-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+]1CCCC[C@H]1CNc1cccc(-n2cc[nH+]c2C)n1 ZINC000366458915 373058128 /nfs/dbraw/zinc/05/81/28/373058128.db2.gz TYFCIMQHFCGSJG-HNNXBMFYSA-N 2 1 299.422 2.284 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNc1cccc(-n2cc[nH+]c2C)n1 ZINC000366458915 373058136 /nfs/dbraw/zinc/05/81/36/373058136.db2.gz TYFCIMQHFCGSJG-HNNXBMFYSA-N 2 1 299.422 2.284 20 0 CEADMP COC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C(C)C ZINC000366427238 373045481 /nfs/dbraw/zinc/04/54/81/373045481.db2.gz BLHBSAPKQFCHFI-NRXISQOPSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000366649160 373102889 /nfs/dbraw/zinc/10/28/89/373102889.db2.gz CRXFAUHYUAATAY-ARFHVFGLSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000366649160 373102897 /nfs/dbraw/zinc/10/28/97/373102897.db2.gz CRXFAUHYUAATAY-ARFHVFGLSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000366649160 373102906 /nfs/dbraw/zinc/10/29/06/373102906.db2.gz CRXFAUHYUAATAY-ARFHVFGLSA-N 2 1 266.429 2.219 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000353560793 220157902 /nfs/dbraw/zinc/15/79/02/220157902.db2.gz IWMMUDBBAXQMML-INIZCTEOSA-N 2 1 283.460 2.227 20 0 CEADMP C[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367602712 373165390 /nfs/dbraw/zinc/16/53/90/373165390.db2.gz VSKHGJLZLSJPII-GVDBMIGSSA-N 3 1 279.472 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)[C@@H]2CCC[C@H]21 ZINC000367602712 373165395 /nfs/dbraw/zinc/16/53/95/373165395.db2.gz VSKHGJLZLSJPII-GVDBMIGSSA-N 2 1 279.472 2.181 20 0 CEADMP CC[C@H]([NH2+][C@@H]1COc2c(cccc2OC)C1)[C@@H]1CCC[NH2+]1 ZINC000643452067 373123806 /nfs/dbraw/zinc/12/38/06/373123806.db2.gz VHQQDHCBMYPDHC-KKUMJFAQSA-N 2 1 290.407 2.119 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])ccc1OC(F)F ZINC000643457107 373127917 /nfs/dbraw/zinc/12/79/17/373127917.db2.gz VTRHFEZUKWTCQR-GHMZBOCLSA-N 2 1 286.322 2.266 20 0 CEADMP c1cnn(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)c1 ZINC000643457240 373128388 /nfs/dbraw/zinc/12/83/88/373128388.db2.gz LMBCJTYOASNGCU-UJJTZGENSA-N 2 1 296.418 2.497 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000643466575 373134836 /nfs/dbraw/zinc/13/48/36/373134836.db2.gz CNZSBBBRVDCLHI-HZSPNIEDSA-N 2 1 254.418 2.169 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCC12CCOCC2 ZINC000367066451 373136471 /nfs/dbraw/zinc/13/64/71/373136471.db2.gz MQKKGJXDRPXBNO-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC12CCOCC2 ZINC000367066451 373136479 /nfs/dbraw/zinc/13/64/79/373136479.db2.gz MQKKGJXDRPXBNO-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)Oc1ncccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000643471965 373141594 /nfs/dbraw/zinc/14/15/94/373141594.db2.gz ZWNDQZWHJPNSMC-VXGBXAGGSA-N 2 1 251.374 2.084 20 0 CEADMP CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)CCO2 ZINC000643482353 373148728 /nfs/dbraw/zinc/14/87/28/373148728.db2.gz AKXJHYLSPJHJPY-NHYWBVRUSA-N 2 1 276.380 2.106 20 0 CEADMP CSC1(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000368021299 373212115 /nfs/dbraw/zinc/21/21/15/373212115.db2.gz YMHALYCFDVUOMB-MCIONIFRSA-N 2 1 266.454 2.298 20 0 CEADMP CSC1(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000368021299 373212124 /nfs/dbraw/zinc/21/21/24/373212124.db2.gz YMHALYCFDVUOMB-MCIONIFRSA-N 2 1 266.454 2.298 20 0 CEADMP CSC1(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000368021299 373212133 /nfs/dbraw/zinc/21/21/33/373212133.db2.gz YMHALYCFDVUOMB-MCIONIFRSA-N 2 1 266.454 2.298 20 0 CEADMP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H](CO)c1ccccc1 ZINC000271199496 373176902 /nfs/dbraw/zinc/17/69/02/373176902.db2.gz FGBWVTJKOSGRTF-CVEARBPZSA-N 2 1 262.397 2.136 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](CO)c1ccccc1 ZINC000271199496 373176906 /nfs/dbraw/zinc/17/69/06/373176906.db2.gz FGBWVTJKOSGRTF-CVEARBPZSA-N 2 1 262.397 2.136 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](CO)c1ccccc1 ZINC000271199496 373176915 /nfs/dbraw/zinc/17/69/15/373176915.db2.gz FGBWVTJKOSGRTF-CVEARBPZSA-N 2 1 262.397 2.136 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](CO)c1ccccc1 ZINC000271199496 373176924 /nfs/dbraw/zinc/17/69/24/373176924.db2.gz FGBWVTJKOSGRTF-CVEARBPZSA-N 2 1 262.397 2.136 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000643523936 373178038 /nfs/dbraw/zinc/17/80/38/373178038.db2.gz OMROGDCNEJRABZ-HZPDHXFCSA-N 3 1 259.397 2.039 20 0 CEADMP CC(C)c1nccn1[C@@H]1CCC[N@@H+](CC(C)(C)O)C1 ZINC000369032925 373316053 /nfs/dbraw/zinc/31/60/53/373316053.db2.gz UDVQAXGNMYHYGF-CYBMUJFWSA-N 2 1 265.401 2.414 20 0 CEADMP CCCC[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000368877031 373281198 /nfs/dbraw/zinc/28/11/98/373281198.db2.gz UEXVFZXRXKWUBE-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000369271774 373372363 /nfs/dbraw/zinc/37/23/63/373372363.db2.gz TYHLGQMMJRYWQI-INIZCTEOSA-N 2 1 299.422 2.183 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000644574935 373538680 /nfs/dbraw/zinc/53/86/80/373538680.db2.gz MOPTVPFCUCNXMR-KCXAZCMYSA-N 2 1 296.842 2.316 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2F)CC[N@H+]1C ZINC000644574887 373538689 /nfs/dbraw/zinc/53/86/89/373538689.db2.gz HGJZRUYINDGCNO-QWHCGFSZSA-N 2 1 293.386 2.227 20 0 CEADMP C[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000644574005 373539101 /nfs/dbraw/zinc/53/91/01/373539101.db2.gz KAZPMWPSZZFUJW-YRGRVCCFSA-N 2 1 268.426 2.101 20 0 CEADMP C[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000644574005 373539111 /nfs/dbraw/zinc/53/91/11/373539111.db2.gz KAZPMWPSZZFUJW-YRGRVCCFSA-N 2 1 268.426 2.101 20 0 CEADMP CCC1(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644585619 373545112 /nfs/dbraw/zinc/54/51/12/373545112.db2.gz QDGFNZLRKZQWNR-MRXNPFEDSA-N 2 1 276.424 2.259 20 0 CEADMP CCC1(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644585619 373545118 /nfs/dbraw/zinc/54/51/18/373545118.db2.gz QDGFNZLRKZQWNR-MRXNPFEDSA-N 2 1 276.424 2.259 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC000353647805 220222062 /nfs/dbraw/zinc/22/20/62/220222062.db2.gz HNYIIJQIDACJNY-QGZVFWFLSA-N 2 1 291.439 2.323 20 0 CEADMP c1ccc2c(NC[C@@H]3C[N@H+]4CCCC[C@@H]4CO3)cc[nH+]c2c1 ZINC000371283647 373830105 /nfs/dbraw/zinc/83/01/05/373830105.db2.gz LDLKPDVBWVANKB-HUUCEWRRSA-N 2 1 297.402 2.322 20 0 CEADMP CCCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371295973 373834980 /nfs/dbraw/zinc/83/49/80/373834980.db2.gz WBEDCUUSKAOUAP-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP Cn1cncc1C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000371725366 373959044 /nfs/dbraw/zinc/95/90/44/373959044.db2.gz WBPLIDGSZCSVDW-NVXWUHKLSA-N 2 1 284.407 2.203 20 0 CEADMP Cn1cncc1C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000371725366 373959050 /nfs/dbraw/zinc/95/90/50/373959050.db2.gz WBPLIDGSZCSVDW-NVXWUHKLSA-N 2 1 284.407 2.203 20 0 CEADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCCC3CCOCC3)[C@@H]2C1 ZINC000372129581 374050806 /nfs/dbraw/zinc/05/08/06/374050806.db2.gz YDIMMGVGHRCSTG-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CC[C@@H]2CC[NH+](CCCC3CCOCC3)[C@@H]2C1 ZINC000372129581 374050810 /nfs/dbraw/zinc/05/08/10/374050810.db2.gz YDIMMGVGHRCSTG-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@H]2CC[N@H+](CCCC3CCOCC3)[C@@H]2C1 ZINC000372129581 374050820 /nfs/dbraw/zinc/05/08/20/374050820.db2.gz YDIMMGVGHRCSTG-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCCC3CCOCC3)[C@@H]2C1 ZINC000372129581 374050831 /nfs/dbraw/zinc/05/08/31/374050831.db2.gz YDIMMGVGHRCSTG-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000289519834 197386920 /nfs/dbraw/zinc/38/69/20/197386920.db2.gz BDAFHXYNXVOMOQ-OAHLLOKOSA-N 2 1 276.424 2.345 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000645693052 374140337 /nfs/dbraw/zinc/14/03/37/374140337.db2.gz BUUWVWPBYPYZMY-DZGCQCFKSA-N 2 1 289.423 2.066 20 0 CEADMP Cc1cccc(CC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)n1 ZINC000645807893 374197242 /nfs/dbraw/zinc/19/72/42/374197242.db2.gz RUEKELNRKVXWMQ-OAHLLOKOSA-N 2 1 261.413 2.206 20 0 CEADMP Cc1cccc(CC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000645807893 374197248 /nfs/dbraw/zinc/19/72/48/374197248.db2.gz RUEKELNRKVXWMQ-OAHLLOKOSA-N 2 1 261.413 2.206 20 0 CEADMP Cc1cccc(CC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000645807893 374197257 /nfs/dbraw/zinc/19/72/57/374197257.db2.gz RUEKELNRKVXWMQ-OAHLLOKOSA-N 2 1 261.413 2.206 20 0 CEADMP Cn1ccnc1[C@H]1CCC[N@@H+](CCc2ccccn2)C1 ZINC000373107192 374267523 /nfs/dbraw/zinc/26/75/23/374267523.db2.gz QLUXQYJCZLABFT-AWEZNQCLSA-N 2 1 270.380 2.237 20 0 CEADMP C[C@H](CCC1CC1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000373238818 374304150 /nfs/dbraw/zinc/30/41/50/374304150.db2.gz HVWQGRPLAIVSBA-SNPRPXQTSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H](CCC1CC1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000373238818 374304154 /nfs/dbraw/zinc/30/41/54/374304154.db2.gz HVWQGRPLAIVSBA-SNPRPXQTSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645963905 374315682 /nfs/dbraw/zinc/31/56/82/374315682.db2.gz CWUWKDDZSANASC-KBPBESRZSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000373644634 374397899 /nfs/dbraw/zinc/39/78/99/374397899.db2.gz OCYSJPMLDXFPEB-LTIDMASMSA-N 2 1 280.456 2.200 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000373644634 374397907 /nfs/dbraw/zinc/39/79/07/374397907.db2.gz OCYSJPMLDXFPEB-LTIDMASMSA-N 2 1 280.456 2.200 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000373644634 374397912 /nfs/dbraw/zinc/39/79/12/374397912.db2.gz OCYSJPMLDXFPEB-LTIDMASMSA-N 2 1 280.456 2.200 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373563348 374379993 /nfs/dbraw/zinc/37/99/93/374379993.db2.gz UJRRNQIBMLELOV-NFAWXSAZSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373563348 374379996 /nfs/dbraw/zinc/37/99/96/374379996.db2.gz UJRRNQIBMLELOV-NFAWXSAZSA-N 2 1 274.412 2.014 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@H]4CCCOC4)C[C@@H]3C2)cc1 ZINC000684211622 541947439 /nfs/dbraw/zinc/94/74/39/541947439.db2.gz FLVVNPINBRTUKH-KSZLIROESA-N 2 1 286.419 2.229 20 0 CEADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@H]4CCCOC4)C[C@@H]3C2)cc1 ZINC000684211622 541947441 /nfs/dbraw/zinc/94/74/41/541947441.db2.gz FLVVNPINBRTUKH-KSZLIROESA-N 2 1 286.419 2.229 20 0 CEADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@H]4CCCOC4)C[C@@H]3C2)cc1 ZINC000684211622 541947444 /nfs/dbraw/zinc/94/74/44/541947444.db2.gz FLVVNPINBRTUKH-KSZLIROESA-N 2 1 286.419 2.229 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+](Cc3nc(C4CC4)no3)C2)CC1 ZINC000374179170 374506657 /nfs/dbraw/zinc/50/66/57/374506657.db2.gz QYNLUWXFGFVNMK-UHFFFAOYSA-N 2 1 290.411 2.255 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc(C4CC4)no3)C2)CC1 ZINC000374179170 374506664 /nfs/dbraw/zinc/50/66/64/374506664.db2.gz QYNLUWXFGFVNMK-UHFFFAOYSA-N 2 1 290.411 2.255 20 0 CEADMP COC[C@@H](C)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374313018 374538976 /nfs/dbraw/zinc/53/89/76/374538976.db2.gz SUDMBSQDFPVKAT-KGLIPLIRSA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000374340041 374546482 /nfs/dbraw/zinc/54/64/82/374546482.db2.gz ZPVVPUOBZCUFDW-YLFCFFPRSA-N 2 1 298.471 2.279 20 0 CEADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000374340041 374546490 /nfs/dbraw/zinc/54/64/90/374546490.db2.gz ZPVVPUOBZCUFDW-YLFCFFPRSA-N 2 1 298.471 2.279 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000374419438 374568292 /nfs/dbraw/zinc/56/82/92/374568292.db2.gz HIXUZDMPRYBOQQ-IKGGRYGDSA-N 2 1 274.408 2.370 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccccn1 ZINC000277666539 374602300 /nfs/dbraw/zinc/60/23/00/374602300.db2.gz WZTBNBCHIZBCJN-CHWSQXEVSA-N 2 1 256.353 2.191 20 0 CEADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377156202 374805705 /nfs/dbraw/zinc/80/57/05/374805705.db2.gz YYCHAEJYMRWZSB-KRWDZBQOSA-N 2 1 298.434 2.340 20 0 CEADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377156202 374805708 /nfs/dbraw/zinc/80/57/08/374805708.db2.gz YYCHAEJYMRWZSB-KRWDZBQOSA-N 2 1 298.434 2.340 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCOCC2(CCCC2)C1 ZINC000377255127 374824375 /nfs/dbraw/zinc/82/43/75/374824375.db2.gz HOOQWCGAVZPGSF-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCOCC2(CCCC2)C1 ZINC000377255127 374824385 /nfs/dbraw/zinc/82/43/85/374824385.db2.gz HOOQWCGAVZPGSF-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCOCC2(CCCC2)C1 ZINC000377255127 374824390 /nfs/dbraw/zinc/82/43/90/374824390.db2.gz HOOQWCGAVZPGSF-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP CC(C)c1noc(C[N@H+]2CCC[C@H](c3nccn3C)C2)n1 ZINC000377263059 374825576 /nfs/dbraw/zinc/82/55/76/374825576.db2.gz VFDHCGKBOSCFFA-LBPRGKRZSA-N 2 1 289.383 2.306 20 0 CEADMP CC(C)c1noc(CN2CCC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000377263059 374825582 /nfs/dbraw/zinc/82/55/82/374825582.db2.gz VFDHCGKBOSCFFA-LBPRGKRZSA-N 2 1 289.383 2.306 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(F)nc1C ZINC000278301491 374773220 /nfs/dbraw/zinc/77/32/20/374773220.db2.gz CQPPBEYXBFEDFA-UHFFFAOYSA-N 2 1 262.332 2.214 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](OC)C2)C1 ZINC000684374241 541986623 /nfs/dbraw/zinc/98/66/23/541986623.db2.gz LQNUYMBWTDPHBO-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP CO[C@@]1(C)CCC[N@H+](CCCn2cc[nH+]c2C)CC1 ZINC000377393870 374844985 /nfs/dbraw/zinc/84/49/85/374844985.db2.gz VALKHXZDRWGMAI-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP CO[C@@]1(C)CCC[N@@H+](CCCn2cc[nH+]c2C)CC1 ZINC000377393870 374844990 /nfs/dbraw/zinc/84/49/90/374844990.db2.gz VALKHXZDRWGMAI-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP C[N@@H+](CC(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377625011 374904082 /nfs/dbraw/zinc/90/40/82/374904082.db2.gz KKRKYOLEDFFETA-HNNXBMFYSA-N 2 1 267.461 2.133 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccsc1 ZINC000378371275 375085679 /nfs/dbraw/zinc/08/56/79/375085679.db2.gz OHYMOLGFZRHPTI-RBSFLKMASA-N 2 1 280.437 2.432 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccsc1 ZINC000378371275 375085686 /nfs/dbraw/zinc/08/56/86/375085686.db2.gz OHYMOLGFZRHPTI-RBSFLKMASA-N 2 1 280.437 2.432 20 0 CEADMP c1cn(CCC[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000378444132 375101771 /nfs/dbraw/zinc/10/17/71/375101771.db2.gz VWLRYDQCUZPDHV-KRWDZBQOSA-N 3 1 290.455 2.471 20 0 CEADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000382892385 375195896 /nfs/dbraw/zinc/19/58/96/375195896.db2.gz PXEWDOSMDQIASK-MCIONIFRSA-N 2 1 299.459 2.220 20 0 CEADMP C[C@@H]1CCC[C@@H](CC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000388419345 375290885 /nfs/dbraw/zinc/29/08/85/375290885.db2.gz NBWHNPGUPNRFBR-IJEWVQPXSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1CCC[C@@H](CC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000388419345 375290892 /nfs/dbraw/zinc/29/08/92/375290892.db2.gz NBWHNPGUPNRFBR-IJEWVQPXSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC1CCCCCC1)C1CC1 ZINC000389515829 375305970 /nfs/dbraw/zinc/30/59/70/375305970.db2.gz FIZYFYZLZQTTGS-OAHLLOKOSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC1CCCCCC1)C1CC1 ZINC000389515829 375305979 /nfs/dbraw/zinc/30/59/79/375305979.db2.gz FIZYFYZLZQTTGS-OAHLLOKOSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H](C[N@H+](C)C[C@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000399510781 375365047 /nfs/dbraw/zinc/36/50/47/375365047.db2.gz NCZDMPOKUFYOJD-JSGCOSHPSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1)C(C)(C)C ZINC000399510781 375365057 /nfs/dbraw/zinc/36/50/57/375365057.db2.gz NCZDMPOKUFYOJD-JSGCOSHPSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@@H](C[NH+](C)C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000399510781 375365065 /nfs/dbraw/zinc/36/50/65/375365065.db2.gz NCZDMPOKUFYOJD-JSGCOSHPSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@@H](C[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000399510781 375365073 /nfs/dbraw/zinc/36/50/73/375365073.db2.gz NCZDMPOKUFYOJD-JSGCOSHPSA-N 2 1 256.434 2.056 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)C12CCCC2 ZINC000401838830 375374868 /nfs/dbraw/zinc/37/48/68/375374868.db2.gz MLLHYKOQIJOLEE-HUUCEWRRSA-N 2 1 277.412 2.290 20 0 CEADMP Cc1nnc([C@H](C)N2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000408189417 375425433 /nfs/dbraw/zinc/42/54/33/375425433.db2.gz NYXZMBUQRODNDZ-VIFPVBQESA-N 2 1 261.329 2.042 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000282488053 375497120 /nfs/dbraw/zinc/49/71/20/375497120.db2.gz QVHQWZOCTMLLQZ-BHYGNILZSA-N 2 1 276.424 2.409 20 0 CEADMP Cc1cc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)nn1C ZINC000414256157 375804825 /nfs/dbraw/zinc/80/48/25/375804825.db2.gz KDFPRSMLKHCHRZ-UHFFFAOYSA-N 2 1 272.396 2.080 20 0 CEADMP CCc1nc(NCc2ccc(N(C)C)nc2)cc(C)[nH+]1 ZINC000286206321 375871392 /nfs/dbraw/zinc/87/13/92/375871392.db2.gz RWKVCSJHLPFEOE-UHFFFAOYSA-N 2 1 271.368 2.421 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CC[NH+](Cc2cccs2)CC1 ZINC000414672563 375911940 /nfs/dbraw/zinc/91/19/40/375911940.db2.gz ASPDYQXPLSDMJY-AWEZNQCLSA-N 2 1 281.469 2.239 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414778573 375963672 /nfs/dbraw/zinc/96/36/72/375963672.db2.gz JCZAQVZEEQSLQC-QWHCGFSZSA-N 2 1 294.468 2.031 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000414792889 375975875 /nfs/dbraw/zinc/97/58/75/375975875.db2.gz JGLHTZVWTFMBPQ-OAHLLOKOSA-N 2 1 272.396 2.458 20 0 CEADMP CCOC(=O)CC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000414680447 375915715 /nfs/dbraw/zinc/91/57/15/375915715.db2.gz UDLXJYJBKJROEQ-CQSZACIVSA-N 2 1 270.417 2.025 20 0 CEADMP CCN(CCC[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414688888 375918177 /nfs/dbraw/zinc/91/81/77/375918177.db2.gz KAAQDJXPSSPDKY-NVXWUHKLSA-N 2 1 275.440 2.493 20 0 CEADMP CCOC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414692715 375923112 /nfs/dbraw/zinc/92/31/12/375923112.db2.gz KWYOKFFDEJQZLE-SOUVJXGZSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1ccc(C[N@H+](CCO)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414705581 375931893 /nfs/dbraw/zinc/93/18/93/375931893.db2.gz FNABECRMQKTTLB-NVXWUHKLSA-N 2 1 276.424 2.177 20 0 CEADMP CC(C)(C)[NH2+]CC[NH2+][C@](C)(CO)C1CCCCC1 ZINC000414710823 375935364 /nfs/dbraw/zinc/93/53/64/375935364.db2.gz QMMFYJSRJYIOMH-OAHLLOKOSA-N 2 1 256.434 2.295 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCc2nccs2)CC[NH2+]1 ZINC000414715593 375936576 /nfs/dbraw/zinc/93/65/76/375936576.db2.gz YVTFYARHIUOTMD-NEPJUHHUSA-N 2 1 253.415 2.006 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC000414713839 375936784 /nfs/dbraw/zinc/93/67/84/375936784.db2.gz UOOLWGFFGKVKHD-NJAFHUGGSA-N 2 1 288.435 2.318 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](CCC[NH3+])CC1)CC1CC1 ZINC000414747443 375949857 /nfs/dbraw/zinc/94/98/57/375949857.db2.gz SCEYWPBCGYPMKU-UHFFFAOYSA-N 3 1 267.461 2.169 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)C1CC1 ZINC000414806250 375991759 /nfs/dbraw/zinc/99/17/59/375991759.db2.gz MSORFAFVDIPYJP-KGLIPLIRSA-N 2 1 250.773 2.134 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000414805449 375991952 /nfs/dbraw/zinc/99/19/52/375991952.db2.gz YMXKYQWDBKNBOB-LLVKDONJSA-N 2 1 264.398 2.211 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000414808399 375993972 /nfs/dbraw/zinc/99/39/72/375993972.db2.gz SOQQSYNNBQJEBB-UHFFFAOYSA-N 2 1 280.322 2.182 20 0 CEADMP C[C@@H]([NH3+])c1ccc(CN[C@H](C)C[C@@H]2CCC[NH2+]2)cc1 ZINC000414816575 376001944 /nfs/dbraw/zinc/00/19/44/376001944.db2.gz QCMROVIFIXHNDL-IOASZLSFSA-N 2 1 261.413 2.327 20 0 CEADMP C[C@H]([NH3+])CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414821773 376008063 /nfs/dbraw/zinc/00/80/63/376008063.db2.gz LTUGOSQXRGMIOO-LEUOFYLZSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000414821773 376008067 /nfs/dbraw/zinc/00/80/67/376008067.db2.gz LTUGOSQXRGMIOO-LEUOFYLZSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414821773 376008069 /nfs/dbraw/zinc/00/80/69/376008069.db2.gz LTUGOSQXRGMIOO-LEUOFYLZSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414919030 376010314 /nfs/dbraw/zinc/01/03/14/376010314.db2.gz VUHDPMJRCAFBBM-BZUAXINKSA-N 3 1 267.461 2.277 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415125985 376021826 /nfs/dbraw/zinc/02/18/26/376021826.db2.gz LRWNDUSKBGJIRI-IJEWVQPXSA-N 2 1 268.445 2.356 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](C[NH3+])C2CC2)C1 ZINC000414799182 375983075 /nfs/dbraw/zinc/98/30/75/375983075.db2.gz JVCQIXAZORDXRS-XYPHTWIQSA-N 2 1 273.424 2.149 20 0 CEADMP COc1cc(C[NH2+]C2CC[NH2+]CC2)cc(Cl)c1OC ZINC000414798182 375983416 /nfs/dbraw/zinc/98/34/16/375983416.db2.gz ZOVIMVKWMHFYPO-UHFFFAOYSA-N 2 1 284.787 2.199 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000414801049 375984853 /nfs/dbraw/zinc/98/48/53/375984853.db2.gz SYTZTXXSWOVJNS-CYBMUJFWSA-N 2 1 272.339 2.403 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419257593 376416840 /nfs/dbraw/zinc/41/68/40/376416840.db2.gz ADTFFGBSXPPVNY-KBPBESRZSA-N 2 1 295.471 2.286 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000556921230 376516429 /nfs/dbraw/zinc/51/64/29/376516429.db2.gz UZECOZIWDBDEGX-LVQVYYBASA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000556921230 376516435 /nfs/dbraw/zinc/51/64/35/376516435.db2.gz UZECOZIWDBDEGX-LVQVYYBASA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000556921230 376516439 /nfs/dbraw/zinc/51/64/39/376516439.db2.gz UZECOZIWDBDEGX-LVQVYYBASA-N 3 1 267.461 2.179 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(O)c2)C1 ZINC000289859222 376533392 /nfs/dbraw/zinc/53/33/92/376533392.db2.gz RNRNHAWYHJQZKI-CHWSQXEVSA-N 2 1 278.396 2.393 20 0 CEADMP C[C@@H](O)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309753207 376604198 /nfs/dbraw/zinc/60/41/98/376604198.db2.gz OJGVEUAXMDBPJW-OAHLLOKOSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@@H](O)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309753207 376604207 /nfs/dbraw/zinc/60/42/07/376604207.db2.gz OJGVEUAXMDBPJW-OAHLLOKOSA-N 2 1 276.424 2.354 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C12CCC2 ZINC000308367783 376580717 /nfs/dbraw/zinc/58/07/17/376580717.db2.gz MJWDKAHPOANBMT-ZOBORPQBSA-N 2 1 252.402 2.016 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C12CCC2 ZINC000308367783 376580721 /nfs/dbraw/zinc/58/07/21/376580721.db2.gz MJWDKAHPOANBMT-ZOBORPQBSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000310869099 376638995 /nfs/dbraw/zinc/63/89/95/376638995.db2.gz LRPOHZFHUCKPAB-CQSZACIVSA-N 3 1 255.450 2.358 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCCCCC1 ZINC000310901472 376641946 /nfs/dbraw/zinc/64/19/46/376641946.db2.gz CIIYZGUUZJTEHZ-HNNXBMFYSA-N 2 1 254.418 2.096 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCCCCC1 ZINC000310901472 376641953 /nfs/dbraw/zinc/64/19/53/376641953.db2.gz CIIYZGUUZJTEHZ-HNNXBMFYSA-N 2 1 254.418 2.096 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CCCCCC1)C1CC1 ZINC000310901472 376641963 /nfs/dbraw/zinc/64/19/63/376641963.db2.gz CIIYZGUUZJTEHZ-HNNXBMFYSA-N 2 1 254.418 2.096 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CCCCCC1)C1CC1 ZINC000310901472 376641968 /nfs/dbraw/zinc/64/19/68/376641968.db2.gz CIIYZGUUZJTEHZ-HNNXBMFYSA-N 2 1 254.418 2.096 20 0 CEADMP CO[C@@](C)(C[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000310936180 376644277 /nfs/dbraw/zinc/64/42/77/376644277.db2.gz GAXUANDLYJKVHS-HNNXBMFYSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000559257378 376669911 /nfs/dbraw/zinc/66/99/11/376669911.db2.gz IPQKAJGPZQRRCG-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000559257378 376669917 /nfs/dbraw/zinc/66/99/17/376669917.db2.gz IPQKAJGPZQRRCG-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](CCc2ccc3ccccc3c2)CCCO1 ZINC000420389660 376686858 /nfs/dbraw/zinc/68/68/58/376686858.db2.gz MHTZPBCTLDPNPI-GOSISDBHSA-N 2 1 284.403 2.432 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)CCCO1 ZINC000420389660 376686869 /nfs/dbraw/zinc/68/68/69/376686869.db2.gz MHTZPBCTLDPNPI-GOSISDBHSA-N 2 1 284.403 2.432 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@H](O)CN(C)C2CC2)c(C)s1 ZINC000311827994 376688513 /nfs/dbraw/zinc/68/85/13/376688513.db2.gz KVYUZGVABXJTRT-FZMZJTMJSA-N 2 1 282.453 2.471 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000312254311 376706274 /nfs/dbraw/zinc/70/62/74/376706274.db2.gz HWPCNLQTTPVYSB-XHDPSFHLSA-N 2 1 266.360 2.264 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000312254311 376706276 /nfs/dbraw/zinc/70/62/76/376706276.db2.gz HWPCNLQTTPVYSB-XHDPSFHLSA-N 2 1 266.360 2.264 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC2(O)CCC2)CC1 ZINC000560700740 376776868 /nfs/dbraw/zinc/77/68/68/376776868.db2.gz DAZQJQFWJPZSCT-UHFFFAOYSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H](O)c2ccccc2)CC1 ZINC000290454045 376785726 /nfs/dbraw/zinc/78/57/26/376785726.db2.gz WDJBVSZRCOJJCI-CJNGLKHVSA-N 2 1 262.397 2.182 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)CC1 ZINC000290418242 376768138 /nfs/dbraw/zinc/76/81/38/376768138.db2.gz KNZSJNXPXDOKGK-GVDBMIGSSA-N 2 1 256.393 2.399 20 0 CEADMP C[C@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)C(C)(C)C ZINC000685458420 542141613 /nfs/dbraw/zinc/14/16/13/542141613.db2.gz KMQAVVMERWRLGR-OAHLLOKOSA-N 2 1 269.477 2.238 20 0 CEADMP CCc1nn(C)cc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000685463128 542144224 /nfs/dbraw/zinc/14/42/24/542144224.db2.gz LRWIVWXMUSMKER-OAHLLOKOSA-N 2 1 290.455 2.146 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422940335 376869238 /nfs/dbraw/zinc/86/92/38/376869238.db2.gz GYIHCQHIGMMACR-OLZOCXBDSA-N 2 1 270.323 2.300 20 0 CEADMP CC[C@@H]([NH2+]CCOC1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422948953 376871308 /nfs/dbraw/zinc/87/13/08/376871308.db2.gz TVSLFBVDJCEPGF-CABCVRRESA-N 2 1 254.418 2.456 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000422961147 376886093 /nfs/dbraw/zinc/88/60/93/376886093.db2.gz ATHCXFUYPXZHBU-BZUAXINKSA-N 2 1 291.439 2.394 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000422961150 376887621 /nfs/dbraw/zinc/88/76/21/376887621.db2.gz ATHCXFUYPXZHBU-PMPSAXMXSA-N 2 1 291.439 2.394 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000422963484 376892391 /nfs/dbraw/zinc/89/23/91/376892391.db2.gz FZDMHFLASOVQPQ-HYVNUMGLSA-N 2 1 290.451 2.376 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@H](C)[C@H]1CCCC[NH2+]1)CC2 ZINC000423079423 376972452 /nfs/dbraw/zinc/97/24/52/376972452.db2.gz QTRYBUOFAXRJMN-FVQBIDKESA-N 2 1 290.455 2.442 20 0 CEADMP Cc1ccccc1[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000562519602 376915970 /nfs/dbraw/zinc/91/59/70/376915970.db2.gz XXGQSIBDKMKVSK-QGZVFWFLSA-N 2 1 274.408 2.368 20 0 CEADMP CC[N@H+](CCN[C@@H](C)[C@@H]1CCCC[NH2+]1)CCC(F)(F)F ZINC000423083583 376976949 /nfs/dbraw/zinc/97/69/49/376976949.db2.gz ZATJXJOPQVTYMW-STQMWFEESA-N 2 1 295.393 2.381 20 0 CEADMP CC[N@@H+](CCN[C@@H](C)[C@@H]1CCCC[NH2+]1)CCC(F)(F)F ZINC000423083583 376976957 /nfs/dbraw/zinc/97/69/57/376976957.db2.gz ZATJXJOPQVTYMW-STQMWFEESA-N 2 1 295.393 2.381 20 0 CEADMP C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C[C@H]1CCCCO1 ZINC000423035988 376943013 /nfs/dbraw/zinc/94/30/13/376943013.db2.gz KFELUKAZSWKJDJ-QBPKDAKJSA-N 2 1 296.455 2.082 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@H]1CCC[C@H]1[NH3+])C1CC1 ZINC000423064890 376955359 /nfs/dbraw/zinc/95/53/59/376955359.db2.gz SJHAYUGGIODUAL-FGTMMUONSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423085587 376979104 /nfs/dbraw/zinc/97/91/04/376979104.db2.gz KWBBPFCUKLVWAQ-ZMSDIMECSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423085587 376979110 /nfs/dbraw/zinc/97/91/10/376979110.db2.gz KWBBPFCUKLVWAQ-ZMSDIMECSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423085587 376979119 /nfs/dbraw/zinc/97/91/19/376979119.db2.gz KWBBPFCUKLVWAQ-ZMSDIMECSA-N 3 1 275.440 2.224 20 0 CEADMP CC(C)=CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423073160 376963256 /nfs/dbraw/zinc/96/32/56/376963256.db2.gz QUFSPZYQJBTQFD-RRFJBIMHSA-N 2 1 252.402 2.089 20 0 CEADMP CCCc1nc(C)c(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])o1 ZINC000423122527 377020694 /nfs/dbraw/zinc/02/06/94/377020694.db2.gz CQHSAKIKJQDNEJ-NEPJUHHUSA-N 2 1 251.374 2.153 20 0 CEADMP C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423130412 377029987 /nfs/dbraw/zinc/02/99/87/377029987.db2.gz YFUABPWEZAIDKM-OWLYRPNTSA-N 2 1 288.435 2.273 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423143298 377041253 /nfs/dbraw/zinc/04/12/53/377041253.db2.gz WXHCHGAGZDKOAC-KKUMJFAQSA-N 2 1 255.450 2.356 20 0 CEADMP CC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423142648 377042335 /nfs/dbraw/zinc/04/23/35/377042335.db2.gz AXVRCBSJRKSHGP-YNEHKIRRSA-N 2 1 276.371 2.169 20 0 CEADMP OC[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CC1 ZINC000423144038 377042591 /nfs/dbraw/zinc/04/25/91/377042591.db2.gz YDZUDMQDGNXUJK-BBWFWOEESA-N 2 1 274.408 2.088 20 0 CEADMP CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423145562 377045224 /nfs/dbraw/zinc/04/52/24/377045224.db2.gz LHGYHGYFYZYWGY-DCAQKATOSA-N 2 1 268.323 2.074 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423093263 376988233 /nfs/dbraw/zinc/98/82/33/376988233.db2.gz GUSLEOPJJPEFOI-KNPMLCFXSA-N 2 1 288.391 2.453 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)[C@@H]1CCC[NH2+]1 ZINC000423110342 377006646 /nfs/dbraw/zinc/00/66/46/377006646.db2.gz VRSGGFNNBRKKTG-DOMZBBRYSA-N 2 1 257.381 2.441 20 0 CEADMP C[C@H]([NH2+]C[C@](C)(CO)c1ccccc1)c1c[nH+]ccc1N ZINC000423116086 377010971 /nfs/dbraw/zinc/01/09/71/377010971.db2.gz ZLCFGRHNHHIADQ-SUMWQHHRSA-N 2 1 285.391 2.095 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423197874 377114335 /nfs/dbraw/zinc/11/43/35/377114335.db2.gz BRHUCKPOGIWUDK-AWEZNQCLSA-N 2 1 272.396 2.192 20 0 CEADMP C[C@H](CCCC[NH3+])[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000423153405 377054576 /nfs/dbraw/zinc/05/45/76/377054576.db2.gz GLLMEKIBXWUGIY-ZIAGYGMSSA-N 2 1 283.460 2.118 20 0 CEADMP Cc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])ccn1 ZINC000423160372 377065488 /nfs/dbraw/zinc/06/54/88/377065488.db2.gz QRPDNIGQRLNELM-YOEHRIQHSA-N 2 1 269.392 2.438 20 0 CEADMP FC1(F)CC(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423168624 377073716 /nfs/dbraw/zinc/07/37/16/377073716.db2.gz UVMXNDLVRNYQOG-MJBXVCDLSA-N 2 1 288.382 2.169 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@H+]1CCCC1(C)C ZINC000423168930 377074624 /nfs/dbraw/zinc/07/46/24/377074624.db2.gz VLTHSJDTRPPCQA-DOTOQJQBSA-N 2 1 289.467 2.409 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423169869 377077538 /nfs/dbraw/zinc/07/75/38/377077538.db2.gz WSMHEJZJQJAXKJ-MAUKXSAKSA-N 3 1 289.467 2.409 20 0 CEADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423169869 377077544 /nfs/dbraw/zinc/07/75/44/377077544.db2.gz WSMHEJZJQJAXKJ-MAUKXSAKSA-N 2 1 289.467 2.409 20 0 CEADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423169869 377077550 /nfs/dbraw/zinc/07/75/50/377077550.db2.gz WSMHEJZJQJAXKJ-MAUKXSAKSA-N 2 1 289.467 2.409 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C12CCC2 ZINC000423173057 377081672 /nfs/dbraw/zinc/08/16/72/377081672.db2.gz WUAZWEMRSQAWQC-REWJHTLYSA-N 2 1 252.402 2.064 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cn1 ZINC000423182062 377094706 /nfs/dbraw/zinc/09/47/06/377094706.db2.gz PRLMKXFRTILQQJ-LBPRGKRZSA-N 2 1 250.390 2.215 20 0 CEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(-c2ccccc2)nn1C ZINC000423185260 377096644 /nfs/dbraw/zinc/09/66/44/377096644.db2.gz NFWMIURGHGZCHR-ZDUSSCGKSA-N 2 1 284.407 2.490 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1(C)C ZINC000423189334 377102045 /nfs/dbraw/zinc/10/20/45/377102045.db2.gz PFGFNAIEYVMWSQ-HZPDHXFCSA-N 2 1 291.439 2.355 20 0 CEADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000423193421 377107554 /nfs/dbraw/zinc/10/75/54/377107554.db2.gz QQZUMSGYXUPRDE-RRFJBIMHSA-N 2 1 282.428 2.230 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000423273118 377194279 /nfs/dbraw/zinc/19/42/79/377194279.db2.gz ZVTASOUBMVZHCE-ZIAGYGMSSA-N 2 1 287.411 2.291 20 0 CEADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423212864 377128855 /nfs/dbraw/zinc/12/88/55/377128855.db2.gz KKMCGSFMRVAZNX-DDUYRFODSA-N 2 1 260.381 2.139 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000423224734 377140651 /nfs/dbraw/zinc/14/06/51/377140651.db2.gz KBSMYYLNYLBIND-XJKSGUPXSA-N 2 1 255.365 2.498 20 0 CEADMP CC[NH2+]CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423245328 377166152 /nfs/dbraw/zinc/16/61/52/377166152.db2.gz MHFUPDHEGJWVCK-RDJZCZTQSA-N 2 1 275.440 2.096 20 0 CEADMP CC[NH2+]CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423247434 377166623 /nfs/dbraw/zinc/16/66/23/377166623.db2.gz PHOVAYWTTVORFB-RDJZCZTQSA-N 2 1 275.440 2.096 20 0 CEADMP CNCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423250302 377171022 /nfs/dbraw/zinc/17/10/22/377171022.db2.gz UEZZHWWLLFSEFH-UHFFFAOYSA-N 2 1 275.440 2.239 20 0 CEADMP C[NH2+]CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423250302 377171027 /nfs/dbraw/zinc/17/10/27/377171027.db2.gz UEZZHWWLLFSEFH-UHFFFAOYSA-N 3 1 275.440 2.239 20 0 CEADMP C[NH2+]CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423250302 377171038 /nfs/dbraw/zinc/17/10/38/377171038.db2.gz UEZZHWWLLFSEFH-UHFFFAOYSA-N 3 1 275.440 2.239 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000423274273 377197742 /nfs/dbraw/zinc/19/77/42/377197742.db2.gz LRLGAOFLEKDJBA-NWDGAFQWSA-N 2 1 266.385 2.210 20 0 CEADMP CCc1ccc([C@H](COC)[NH2+]CCCc2c[nH+]cn2C)o1 ZINC000563352715 377180401 /nfs/dbraw/zinc/18/04/01/377180401.db2.gz FEPHLNPHTPXZLW-HNNXBMFYSA-N 2 1 291.395 2.485 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])C2CCCCC2)C[N@H+]1C1CC1 ZINC000423262001 377181784 /nfs/dbraw/zinc/18/17/84/377181784.db2.gz LIFPPFRBYCFODN-XPKDYRNWSA-N 2 1 265.445 2.109 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CC2)C1(CC)CC ZINC000423268444 377186398 /nfs/dbraw/zinc/18/63/98/377186398.db2.gz DTYLEJBOBMNPAO-HZSPNIEDSA-N 2 1 254.418 2.297 20 0 CEADMP C[N@@H+](CCN1[C@@H]2CC[C@H]1CC[NH+](C)C2)Cc1ccccc1 ZINC000563363269 377187059 /nfs/dbraw/zinc/18/70/59/377187059.db2.gz GKQJSKWXNWHVNB-ZWKOTPCHSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+](CCN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)Cc1ccccc1 ZINC000563363269 377187066 /nfs/dbraw/zinc/18/70/66/377187066.db2.gz GKQJSKWXNWHVNB-ZWKOTPCHSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+](CCN1[C@@H]2CC[C@H]1CC[N@H+](C)C2)Cc1ccccc1 ZINC000563363269 377187073 /nfs/dbraw/zinc/18/70/73/377187073.db2.gz GKQJSKWXNWHVNB-ZWKOTPCHSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)OCCCO2 ZINC000423337288 377266917 /nfs/dbraw/zinc/26/69/17/377266917.db2.gz VEJYDLWXLTWEOF-GFCCVEGCSA-N 2 1 276.380 2.380 20 0 CEADMP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000423288453 377217557 /nfs/dbraw/zinc/21/75/57/377217557.db2.gz SDOXGQDHLJDCOY-GFCCVEGCSA-N 2 1 264.369 2.236 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(-n2cccn2)cc1 ZINC000423289999 377219969 /nfs/dbraw/zinc/21/99/69/377219969.db2.gz YYTFYDDGGKJHAV-GFCCVEGCSA-N 2 1 258.369 2.260 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423291562 377223320 /nfs/dbraw/zinc/22/33/20/377223320.db2.gz IVWASIITAMFBPY-HEHGZKQESA-N 2 1 261.413 2.136 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423291562 377223324 /nfs/dbraw/zinc/22/33/24/377223324.db2.gz IVWASIITAMFBPY-HEHGZKQESA-N 2 1 261.413 2.136 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000563445096 377228159 /nfs/dbraw/zinc/22/81/59/377228159.db2.gz WVVQOIYRJAZMLW-HRCADAONSA-N 2 1 267.461 2.179 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000563444058 377228320 /nfs/dbraw/zinc/22/83/20/377228320.db2.gz ZMDQGOQZPHDASR-MRXNPFEDSA-N 2 1 279.472 2.182 20 0 CEADMP COc1cc(C)nc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000563484118 377233311 /nfs/dbraw/zinc/23/33/11/377233311.db2.gz YTJIKBYNJKSVTE-PBHICJAKSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)nc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000563484118 377233321 /nfs/dbraw/zinc/23/33/21/377233321.db2.gz YTJIKBYNJKSVTE-PBHICJAKSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000563484118 377233328 /nfs/dbraw/zinc/23/33/28/377233328.db2.gz YTJIKBYNJKSVTE-PBHICJAKSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)nc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000563484118 377233337 /nfs/dbraw/zinc/23/33/37/377233337.db2.gz YTJIKBYNJKSVTE-PBHICJAKSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)nc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000563484118 377233342 /nfs/dbraw/zinc/23/33/42/377233342.db2.gz YTJIKBYNJKSVTE-PBHICJAKSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000563484118 377233350 /nfs/dbraw/zinc/23/33/50/377233350.db2.gz YTJIKBYNJKSVTE-PBHICJAKSA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000563484118 377233355 /nfs/dbraw/zinc/23/33/55/377233355.db2.gz YTJIKBYNJKSVTE-PBHICJAKSA-N 2 1 289.423 2.315 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000423304947 377234623 /nfs/dbraw/zinc/23/46/23/377234623.db2.gz ZSKUAPQSWKJJPD-ZFWWWQNUSA-N 2 1 287.411 2.435 20 0 CEADMP C[C@@H](C[NH3+])CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423311170 377240500 /nfs/dbraw/zinc/24/05/00/377240500.db2.gz SUBQTSUEHGNNQT-LEUOFYLZSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423311170 377240508 /nfs/dbraw/zinc/24/05/08/377240508.db2.gz SUBQTSUEHGNNQT-LEUOFYLZSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423311170 377240515 /nfs/dbraw/zinc/24/05/15/377240515.db2.gz SUBQTSUEHGNNQT-LEUOFYLZSA-N 3 1 287.451 2.366 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)ccc1F ZINC000423315084 377246051 /nfs/dbraw/zinc/24/60/51/377246051.db2.gz IJIPIMUSNSTEOD-NOZJJQNGSA-N 2 1 252.333 2.222 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423315215 377246479 /nfs/dbraw/zinc/24/64/79/377246479.db2.gz ZDEKXKABRSUAFP-XVKPBYJWSA-N 2 1 258.287 2.276 20 0 CEADMP C[C@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423320845 377250758 /nfs/dbraw/zinc/25/07/58/377250758.db2.gz GUKFZHWANFQSAB-DDBAPUKQSA-N 2 1 287.451 2.366 20 0 CEADMP CCC[NH2+]CCN[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423318904 377250765 /nfs/dbraw/zinc/25/07/65/377250765.db2.gz ZOCAMHWDLFBKBT-WBVHZDCISA-N 2 1 275.440 2.239 20 0 CEADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423320946 377252165 /nfs/dbraw/zinc/25/21/65/377252165.db2.gz HCPYDXYRWMRKJI-HZPDHXFCSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423337988 377269539 /nfs/dbraw/zinc/26/95/39/377269539.db2.gz HWXGDPWBZRLYRT-QFBILLFUSA-N 3 1 299.462 2.406 20 0 CEADMP CC(C)[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H](C)[NH3+] ZINC000423325975 377257518 /nfs/dbraw/zinc/25/75/18/377257518.db2.gz KHDKTSBZQAYMCK-BZUAXINKSA-N 2 1 297.487 2.234 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(C)c1OC ZINC000423277234 377202177 /nfs/dbraw/zinc/20/21/77/377202177.db2.gz OAHMWUNDBINNRR-XHDPSFHLSA-N 2 1 292.423 2.270 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000423277927 377203239 /nfs/dbraw/zinc/20/32/39/377203239.db2.gz QMWXAEZIRJSRTK-SMDDNHRTSA-N 2 1 266.360 2.485 20 0 CEADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1OC ZINC000423279283 377204688 /nfs/dbraw/zinc/20/46/88/377204688.db2.gz RCCQZPIXXNOHRV-WFASDCNBSA-N 2 1 292.423 2.270 20 0 CEADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1OC ZINC000423279280 377205629 /nfs/dbraw/zinc/20/56/29/377205629.db2.gz RCCQZPIXXNOHRV-DOMZBBRYSA-N 2 1 292.423 2.270 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000423280592 377207086 /nfs/dbraw/zinc/20/70/86/377207086.db2.gz UVKWELWUQTUTIX-NEPJUHHUSA-N 2 1 260.385 2.079 20 0 CEADMP CC(=O)Nc1ccccc1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292863970 377320874 /nfs/dbraw/zinc/32/08/74/377320874.db2.gz VPVBZNCSHBKCSN-QGZVFWFLSA-N 2 1 287.407 2.173 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC000564348580 377380666 /nfs/dbraw/zinc/38/06/66/377380666.db2.gz LTMBHORBJCSLDZ-ZIAGYGMSSA-N 2 1 274.408 2.441 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCCc2ccccc21 ZINC000564383998 377384296 /nfs/dbraw/zinc/38/42/96/377384296.db2.gz FVICQRDDIRJYNN-FUHWJXTLSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCCc2ccccc21 ZINC000564383998 377384304 /nfs/dbraw/zinc/38/43/04/377384304.db2.gz FVICQRDDIRJYNN-FUHWJXTLSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)[C@@H]1CCCc2ccccc21)C1CC1 ZINC000564383998 377384312 /nfs/dbraw/zinc/38/43/12/377384312.db2.gz FVICQRDDIRJYNN-FUHWJXTLSA-N 2 1 288.435 2.451 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)[C@@H]1CCCc2ccccc21)C1CC1 ZINC000564383998 377384319 /nfs/dbraw/zinc/38/43/19/377384319.db2.gz FVICQRDDIRJYNN-FUHWJXTLSA-N 2 1 288.435 2.451 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(O)CCCC1(C)C ZINC000292914148 377350389 /nfs/dbraw/zinc/35/03/89/377350389.db2.gz HPPNOTZERDGNQY-MRXNPFEDSA-N 2 1 277.412 2.178 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000293095226 377425916 /nfs/dbraw/zinc/42/59/16/377425916.db2.gz NLXZQKAKWSGKGS-DZGCQCFKSA-N 2 1 288.391 2.350 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000293095226 377425919 /nfs/dbraw/zinc/42/59/19/377425919.db2.gz NLXZQKAKWSGKGS-DZGCQCFKSA-N 2 1 288.391 2.350 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2c(c1)OCCO2 ZINC000265225173 190167530 /nfs/dbraw/zinc/16/75/30/190167530.db2.gz HWHIWYKEASKODT-UHFFFAOYSA-N 2 1 278.396 2.231 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)OCCO2 ZINC000265225173 190167531 /nfs/dbraw/zinc/16/75/31/190167531.db2.gz HWHIWYKEASKODT-UHFFFAOYSA-N 2 1 278.396 2.231 20 0 CEADMP CCC[N@@H+](CCc1cccc(F)c1)C[C@@](C)(O)C[NH2+]C ZINC000565099920 377557814 /nfs/dbraw/zinc/55/78/14/377557814.db2.gz ZHLSHEROKZFWES-INIZCTEOSA-N 2 1 282.403 2.051 20 0 CEADMP CCCCc1noc([C@H](C)[NH+]2CCC(C[NH2+]C)CC2)n1 ZINC000430923720 377568273 /nfs/dbraw/zinc/56/82/73/377568273.db2.gz GGXOUKFDBITVSQ-LBPRGKRZSA-N 2 1 280.416 2.405 20 0 CEADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000430965137 377578949 /nfs/dbraw/zinc/57/89/49/377578949.db2.gz KIOJJXSNZHOGAZ-SMDDNHRTSA-N 2 1 295.814 2.338 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H](O)CN(C)CC ZINC000565157496 377575545 /nfs/dbraw/zinc/57/55/45/377575545.db2.gz NHLVGCNTMHSFLE-KFWWJZLASA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000565157496 377575553 /nfs/dbraw/zinc/57/55/53/377575553.db2.gz NHLVGCNTMHSFLE-KFWWJZLASA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000565157496 377575561 /nfs/dbraw/zinc/57/55/61/377575561.db2.gz NHLVGCNTMHSFLE-KFWWJZLASA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000565157496 377575568 /nfs/dbraw/zinc/57/55/68/377575568.db2.gz NHLVGCNTMHSFLE-KFWWJZLASA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000565157496 377575573 /nfs/dbraw/zinc/57/55/73/377575573.db2.gz NHLVGCNTMHSFLE-KFWWJZLASA-N 2 1 256.434 2.200 20 0 CEADMP C[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000135302399 249317766 /nfs/dbraw/zinc/31/77/66/249317766.db2.gz ODVVXYZHNUMITG-YJBOKZPZSA-N 2 1 288.435 2.461 20 0 CEADMP Cc1cccn2cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)nc12 ZINC000166757964 542211979 /nfs/dbraw/zinc/21/19/79/542211979.db2.gz PRYLKQULBMKXNX-DOTOQJQBSA-N 2 1 298.434 2.402 20 0 CEADMP Cc1ccc2nc(C[N@@H+](C)CC3CC[NH+](C)CC3)cn2c1 ZINC000265846324 190212647 /nfs/dbraw/zinc/21/26/47/190212647.db2.gz YIBJFMCUSMWNDR-UHFFFAOYSA-N 2 1 286.423 2.416 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000566106043 377726118 /nfs/dbraw/zinc/72/61/18/377726118.db2.gz FHADADOJABDEEO-RKVPGOIHSA-N 2 1 288.435 2.225 20 0 CEADMP Cc1ccc(C(C)(C)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000566108001 377726205 /nfs/dbraw/zinc/72/62/05/377726205.db2.gz STKWMVSOFJEHBM-KRWDZBQOSA-N 2 1 290.451 2.317 20 0 CEADMP Cc1ccc(C(C)(C)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000566108001 377726209 /nfs/dbraw/zinc/72/62/09/377726209.db2.gz STKWMVSOFJEHBM-KRWDZBQOSA-N 2 1 290.451 2.317 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000168432272 542223555 /nfs/dbraw/zinc/22/35/55/542223555.db2.gz SYZYGYAFLMWGHQ-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(F)c2)CC[N@H+]1C ZINC000567161293 377805156 /nfs/dbraw/zinc/80/51/56/377805156.db2.gz SBTFCGXYZGMXPP-OCCSQVGLSA-N 2 1 293.386 2.227 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(C)c2nccn2c1 ZINC000293938852 377835530 /nfs/dbraw/zinc/83/55/30/377835530.db2.gz QQMOCSIMCYEXCX-CQSZACIVSA-N 2 1 286.379 2.456 20 0 CEADMP CCN1CCCC[C@@H]1C(=O)Nc1cc(C)c2nccn2c1 ZINC000293938852 377835533 /nfs/dbraw/zinc/83/55/33/377835533.db2.gz QQMOCSIMCYEXCX-CQSZACIVSA-N 2 1 286.379 2.456 20 0 CEADMP COCCC[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000265880381 190214876 /nfs/dbraw/zinc/21/48/76/190214876.db2.gz YBFKFBUOVQXPME-UHFFFAOYSA-N 2 1 263.385 2.303 20 0 CEADMP CCn1ccnc1[C@@H]1CCCC[N@H+]1CCn1ccnc1 ZINC000293952548 377845791 /nfs/dbraw/zinc/84/57/91/377845791.db2.gz BWFRHNPTHWFHAM-AWEZNQCLSA-N 2 1 273.384 2.327 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2C2CC2)CC1(C)C ZINC000442873810 378011179 /nfs/dbraw/zinc/01/11/79/378011179.db2.gz LLPADRAQLUARDW-HZPDHXFCSA-N 2 1 279.472 2.181 20 0 CEADMP COc1ccccc1CC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000442667463 377978244 /nfs/dbraw/zinc/97/82/44/377978244.db2.gz ZYJCIXXLMIIWGA-CYBMUJFWSA-N 2 1 262.397 2.297 20 0 CEADMP O=C1CCN1c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000442819110 378003244 /nfs/dbraw/zinc/00/32/44/378003244.db2.gz HRAFNPGJOFOKSV-CVEARBPZSA-N 2 1 299.418 2.140 20 0 CEADMP O=C1CCN1c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000442819110 378003249 /nfs/dbraw/zinc/00/32/49/378003249.db2.gz HRAFNPGJOFOKSV-CVEARBPZSA-N 2 1 299.418 2.140 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443056266 378030240 /nfs/dbraw/zinc/03/02/40/378030240.db2.gz CNLNRCIWFGLVTC-ARFHVFGLSA-N 2 1 295.471 2.227 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443345907 378048238 /nfs/dbraw/zinc/04/82/38/378048238.db2.gz SVXYFYNXDIPQGF-KCQAQPDRSA-N 2 1 265.401 2.063 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443345907 378048242 /nfs/dbraw/zinc/04/82/42/378048242.db2.gz SVXYFYNXDIPQGF-KCQAQPDRSA-N 2 1 265.401 2.063 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447558312 378116541 /nfs/dbraw/zinc/11/65/41/378116541.db2.gz NKMNCNJSVUQRIH-KEYYUXOJSA-N 3 1 279.472 2.179 20 0 CEADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447558312 378116544 /nfs/dbraw/zinc/11/65/44/378116544.db2.gz NKMNCNJSVUQRIH-KEYYUXOJSA-N 2 1 279.472 2.179 20 0 CEADMP OC(C[NH+]1CC[C@@H]2CCC[C@@H]21)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000447269045 378097793 /nfs/dbraw/zinc/09/77/93/378097793.db2.gz YRFSFRYVSHKQJX-OTRWWLKZSA-N 2 1 278.440 2.096 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC[C@@H](C)O)C1)CCCC2 ZINC000450784043 378578410 /nfs/dbraw/zinc/57/84/10/378578410.db2.gz GSAXBWVMMPYXDX-TZMCWYRMSA-N 2 1 277.412 2.088 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC[C@@H](C)O)C1)CCCC2 ZINC000450784043 378578417 /nfs/dbraw/zinc/57/84/17/378578417.db2.gz GSAXBWVMMPYXDX-TZMCWYRMSA-N 2 1 277.412 2.088 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000451065352 378696800 /nfs/dbraw/zinc/69/68/00/378696800.db2.gz VBWBKHADQBMBEC-KBAYOESNSA-N 2 1 288.435 2.179 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000451065352 378696806 /nfs/dbraw/zinc/69/68/06/378696806.db2.gz VBWBKHADQBMBEC-KBAYOESNSA-N 2 1 288.435 2.179 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000451065352 378696813 /nfs/dbraw/zinc/69/68/13/378696813.db2.gz VBWBKHADQBMBEC-KBAYOESNSA-N 2 1 288.435 2.179 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@](C)(F)C2)CC1 ZINC000451117343 378714134 /nfs/dbraw/zinc/71/41/34/378714134.db2.gz UWXLRVNMVYNRAF-MRXNPFEDSA-N 2 1 285.451 2.227 20 0 CEADMP CCOC(=O)C1(N(C)CCc2cncn2C)CCCCC1 ZINC000298551385 378763069 /nfs/dbraw/zinc/76/30/69/378763069.db2.gz UVGMRWMKTKCAEH-UHFFFAOYSA-N 2 1 293.411 2.160 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000453002226 378769703 /nfs/dbraw/zinc/76/97/03/378769703.db2.gz FBGYZXBNDKEVKK-INMHGKMJSA-N 2 1 276.424 2.035 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000453002226 378769710 /nfs/dbraw/zinc/76/97/10/378769710.db2.gz FBGYZXBNDKEVKK-INMHGKMJSA-N 2 1 276.424 2.035 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000453002226 378769713 /nfs/dbraw/zinc/76/97/13/378769713.db2.gz FBGYZXBNDKEVKK-INMHGKMJSA-N 2 1 276.424 2.035 20 0 CEADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346840651 218033090 /nfs/dbraw/zinc/03/30/90/218033090.db2.gz GCXGGAOFBGPSFC-CABCVRRESA-N 2 1 299.422 2.260 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]c(-c4ccccc4)n3)C[C@@H]12 ZINC000346819989 218023238 /nfs/dbraw/zinc/02/32/38/218023238.db2.gz IPGNOUJMHKLNLF-NUEKZKHPSA-N 2 1 282.391 2.246 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)C[C@@H]12 ZINC000346819989 218023241 /nfs/dbraw/zinc/02/32/41/218023241.db2.gz IPGNOUJMHKLNLF-NUEKZKHPSA-N 2 1 282.391 2.246 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)C[C@H]12 ZINC000346821605 218024766 /nfs/dbraw/zinc/02/47/66/218024766.db2.gz IWRNZPHYFNWUCL-VHDGCEQUSA-N 2 1 296.361 2.500 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2cnccn2)C1 ZINC000453161396 378820797 /nfs/dbraw/zinc/82/07/97/378820797.db2.gz AUGOQIWKLNIEMF-HZPDHXFCSA-N 2 1 290.455 2.365 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C[C@@H]12 ZINC000346832666 218028980 /nfs/dbraw/zinc/02/89/80/218028980.db2.gz MABCTMVRZKGVSH-FVQBIDKESA-N 2 1 282.391 2.246 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C[C@@H]12 ZINC000346832666 218028982 /nfs/dbraw/zinc/02/89/82/218028982.db2.gz MABCTMVRZKGVSH-FVQBIDKESA-N 2 1 282.391 2.246 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)CCOCC1 ZINC000453178783 378824492 /nfs/dbraw/zinc/82/44/92/378824492.db2.gz SRPQUQLOARIISD-JKSUJKDBSA-N 2 1 298.471 2.281 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC(C)C)CCOCC1 ZINC000453178783 378824499 /nfs/dbraw/zinc/82/44/99/378824499.db2.gz SRPQUQLOARIISD-JKSUJKDBSA-N 2 1 298.471 2.281 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346838903 218030397 /nfs/dbraw/zinc/03/03/97/218030397.db2.gz RYELDJBKDCSJMJ-BPUTZDHNSA-N 2 1 290.455 2.424 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000346851363 218035583 /nfs/dbraw/zinc/03/55/83/218035583.db2.gz JGRIEGRUBBKLIX-JYJNAYRXSA-N 2 1 276.428 2.098 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c[nH]nc43)C[C@H]21 ZINC000346853064 218038396 /nfs/dbraw/zinc/03/83/96/218038396.db2.gz XPLYQYCUQOEKNQ-BPLDGKMQSA-N 2 1 270.380 2.122 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](CO)Cc2ccc(C)c(C)c2)CC1 ZINC000453417610 378896467 /nfs/dbraw/zinc/89/64/67/378896467.db2.gz CCJRORWJESESGO-SFHVURJKSA-N 2 1 290.451 2.281 20 0 CEADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1F ZINC000453375570 378877597 /nfs/dbraw/zinc/87/75/97/378877597.db2.gz XYLCHKGQDKCTIY-ODWCKFRGSA-N 2 1 263.360 2.497 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2NCC3)C1 ZINC000347008713 218090157 /nfs/dbraw/zinc/09/01/57/218090157.db2.gz RYTQNDLFSVRGIH-AWEZNQCLSA-N 2 1 273.424 2.428 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2NCC3)C1 ZINC000347008713 218090160 /nfs/dbraw/zinc/09/01/60/218090160.db2.gz RYTQNDLFSVRGIH-AWEZNQCLSA-N 2 1 273.424 2.428 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000347008713 218090162 /nfs/dbraw/zinc/09/01/62/218090162.db2.gz RYTQNDLFSVRGIH-AWEZNQCLSA-N 2 1 273.424 2.428 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000347008713 218090164 /nfs/dbraw/zinc/09/01/64/218090164.db2.gz RYTQNDLFSVRGIH-AWEZNQCLSA-N 2 1 273.424 2.428 20 0 CEADMP CN(c1ccccc1)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346984020 218080034 /nfs/dbraw/zinc/08/00/34/218080034.db2.gz OALOMCKRYKGMCQ-UHFFFAOYSA-N 2 1 261.413 2.325 20 0 CEADMP CC(C)([NH3+])C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000347003078 218087602 /nfs/dbraw/zinc/08/76/02/218087602.db2.gz KHZVJXYPIULKJP-CYBMUJFWSA-N 2 1 250.361 2.427 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000347039658 218100483 /nfs/dbraw/zinc/10/04/83/218100483.db2.gz JVIVZJLCTALGQF-QWHCGFSZSA-N 2 1 290.436 2.493 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000347080316 218115813 /nfs/dbraw/zinc/11/58/13/218115813.db2.gz XFSJAMRCRNZEGE-ZDUSSCGKSA-N 2 1 287.411 2.054 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000347080316 218115814 /nfs/dbraw/zinc/11/58/14/218115814.db2.gz XFSJAMRCRNZEGE-ZDUSSCGKSA-N 2 1 287.411 2.054 20 0 CEADMP Cn1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(-c2cccs2)n1 ZINC000347105771 218123061 /nfs/dbraw/zinc/12/30/61/218123061.db2.gz NGUJEGQGGOTEPJ-LBPRGKRZSA-N 2 1 290.436 2.319 20 0 CEADMP Cn1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(-c2cccs2)n1 ZINC000347105771 218123064 /nfs/dbraw/zinc/12/30/64/218123064.db2.gz NGUJEGQGGOTEPJ-LBPRGKRZSA-N 2 1 290.436 2.319 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000347147871 218138017 /nfs/dbraw/zinc/13/80/17/218138017.db2.gz YXGILGMNTRDULF-FZMZJTMJSA-N 2 1 284.350 2.500 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000347172149 218144521 /nfs/dbraw/zinc/14/45/21/218144521.db2.gz OJTWVKYXVUALNT-JTQLQIEISA-N 2 1 254.761 2.129 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000347172149 218144524 /nfs/dbraw/zinc/14/45/24/218144524.db2.gz OJTWVKYXVUALNT-JTQLQIEISA-N 2 1 254.761 2.129 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(F)cc1 ZINC000278603166 194064617 /nfs/dbraw/zinc/06/46/17/194064617.db2.gz IYTHSLPSEDNLRT-YUELXQCFSA-N 2 1 262.372 2.423 20 0 CEADMP C[C@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc(F)cc1 ZINC000278603166 194064620 /nfs/dbraw/zinc/06/46/20/194064620.db2.gz IYTHSLPSEDNLRT-YUELXQCFSA-N 2 1 262.372 2.423 20 0 CEADMP C[C@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc(F)cc1 ZINC000278603166 194064622 /nfs/dbraw/zinc/06/46/22/194064622.db2.gz IYTHSLPSEDNLRT-YUELXQCFSA-N 2 1 262.372 2.423 20 0 CEADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347180591 218146203 /nfs/dbraw/zinc/14/62/03/218146203.db2.gz UZGFIQCZESDMOA-QGZVFWFLSA-N 2 1 298.434 2.329 20 0 CEADMP CC[N@H+]1CC[C@H](NCC2([NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000347189974 218149744 /nfs/dbraw/zinc/14/97/44/218149744.db2.gz AXNZQRYKZQUCSD-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H](NC(=O)[C@H]1CCCN1C)c1cccc(-n2ccnc2)c1 ZINC000266340526 190250336 /nfs/dbraw/zinc/25/03/36/190250336.db2.gz YFTYOQDFODJNDL-XJKSGUPXSA-N 2 1 298.390 2.144 20 0 CEADMP C[N@@H+](CC[C@H]1CCCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000347409038 218224494 /nfs/dbraw/zinc/22/44/94/218224494.db2.gz BJNZPEGKRIQCEY-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@H]1CCCCO1)C[C@H]1CCC[N@H+](C)C1 ZINC000347409038 218224497 /nfs/dbraw/zinc/22/44/97/218224497.db2.gz BJNZPEGKRIQCEY-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@H]1CCCCO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000347409038 218224500 /nfs/dbraw/zinc/22/45/00/218224500.db2.gz BJNZPEGKRIQCEY-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000180165615 542261561 /nfs/dbraw/zinc/26/15/61/542261561.db2.gz SGMQPGWRUDEEQA-NWDGAFQWSA-N 2 1 250.390 2.101 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000515347161 379207017 /nfs/dbraw/zinc/20/70/17/379207017.db2.gz UPLCLAZOQRIUIS-YOEHRIQHSA-N 2 1 287.407 2.021 20 0 CEADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000347533529 218265347 /nfs/dbraw/zinc/26/53/47/218265347.db2.gz XAEYDKNVXWPCFZ-IUODEOHRSA-N 2 1 282.815 2.100 20 0 CEADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000347533529 218265348 /nfs/dbraw/zinc/26/53/48/218265348.db2.gz XAEYDKNVXWPCFZ-IUODEOHRSA-N 2 1 282.815 2.100 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000516861349 379315002 /nfs/dbraw/zinc/31/50/02/379315002.db2.gz SCFSDNXKTAIYAM-FZMZJTMJSA-N 2 1 284.350 2.418 20 0 CEADMP Cc1ccccc1[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000518144245 379380008 /nfs/dbraw/zinc/38/00/08/379380008.db2.gz CJQMCTPGVNYFRD-WBVHZDCISA-N 2 1 274.408 2.368 20 0 CEADMP Cc1cc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000302385069 379366321 /nfs/dbraw/zinc/36/63/21/379366321.db2.gz FAJZVSDVLFGCIQ-QZTJIDSGSA-N 2 1 297.402 2.437 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000519424809 379419807 /nfs/dbraw/zinc/41/98/07/379419807.db2.gz AQXVZEPCHSOEQU-OWCLPIDISA-N 3 1 267.461 2.358 20 0 CEADMP C[NH+]1CCC(CC[NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000521828454 379544381 /nfs/dbraw/zinc/54/43/81/379544381.db2.gz ZPYHEIHPJVRSFB-UHFFFAOYSA-N 2 1 272.396 2.384 20 0 CEADMP CC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000304288453 379547530 /nfs/dbraw/zinc/54/75/30/379547530.db2.gz BKPORFLQZCBMKX-OWCLPIDISA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000304288453 379547538 /nfs/dbraw/zinc/54/75/38/379547538.db2.gz BKPORFLQZCBMKX-OWCLPIDISA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000304288453 379547543 /nfs/dbraw/zinc/54/75/43/379547543.db2.gz BKPORFLQZCBMKX-OWCLPIDISA-N 2 1 268.445 2.344 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457087906 379660119 /nfs/dbraw/zinc/66/01/19/379660119.db2.gz JVIIKUNYSAIUOW-UONOGXRCSA-N 2 1 283.460 2.094 20 0 CEADMP C[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000267336648 190321905 /nfs/dbraw/zinc/32/19/05/190321905.db2.gz BHTKNUMTCSXDSB-DZGCQCFKSA-N 2 1 286.379 2.003 20 0 CEADMP CC(C)c1ncc2c(n1)CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000527616473 379778186 /nfs/dbraw/zinc/77/81/86/379778186.db2.gz CIMQWDBRVRDYNL-UHFFFAOYSA-N 2 1 288.439 2.348 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@]1(C)COc2ccccc2O1 ZINC000527937181 379851738 /nfs/dbraw/zinc/85/17/38/379851738.db2.gz VAMGFSVFACVKPC-JKIFEVAISA-N 2 1 290.407 2.146 20 0 CEADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000527983951 379865514 /nfs/dbraw/zinc/86/55/14/379865514.db2.gz YDHQCUGLGATIAN-QMIVOQANSA-N 2 1 252.402 2.016 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(C)OC(C)C)[C@@H](C)C1 ZINC000528002026 379874336 /nfs/dbraw/zinc/87/43/36/379874336.db2.gz WEMLMTLOMPQFBI-XQLPTFJDSA-N 2 1 254.418 2.262 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC000528376761 379952609 /nfs/dbraw/zinc/95/26/09/379952609.db2.gz HEYFYVGIYATDCA-MRXNPFEDSA-N 2 1 279.472 2.134 20 0 CEADMP Cc1nc(C[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)no1 ZINC000333817706 380156423 /nfs/dbraw/zinc/15/64/23/380156423.db2.gz GXSVFKVUWPJCPU-CABCVRRESA-N 2 1 292.427 2.022 20 0 CEADMP c1cn2c([nH+]1)C[C@@H](Nc1cc(N3CCCCC3)ncn1)CC2 ZINC000489895080 380219344 /nfs/dbraw/zinc/21/93/44/380219344.db2.gz GHFFBLMHDDTPSZ-ZDUSSCGKSA-N 2 1 298.394 2.090 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)c1cnn(C)c1 ZINC000546705029 380412758 /nfs/dbraw/zinc/41/27/58/380412758.db2.gz NFDLAZAOWBIKMF-UHFFFAOYSA-N 2 1 275.400 2.230 20 0 CEADMP C[C@@H]1C[C@@H](Nc2nc3cccc(F)c3n2C)CC[N@H+]1C ZINC000334553976 380580798 /nfs/dbraw/zinc/58/07/98/380580798.db2.gz GLPNTGUKXMCGJT-MNOVXSKESA-N 2 1 276.359 2.029 20 0 CEADMP C[NH+]1CCCC[C@H]1CCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000549840615 380612044 /nfs/dbraw/zinc/61/20/44/380612044.db2.gz LWQRTHDFQYKPSK-IRXDYDNUSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC[C@]2(CCN(CC[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000549840615 380612047 /nfs/dbraw/zinc/61/20/47/380612047.db2.gz LWQRTHDFQYKPSK-IRXDYDNUSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC[C@]2(CCN(CC[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000549840615 380612055 /nfs/dbraw/zinc/61/20/55/380612055.db2.gz LWQRTHDFQYKPSK-IRXDYDNUSA-N 2 1 279.472 2.279 20 0 CEADMP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000552248739 380697161 /nfs/dbraw/zinc/69/71/61/380697161.db2.gz RERAQIGDYYKVFH-UPJWGTAASA-N 2 1 265.426 2.414 20 0 CEADMP Cc1cnc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000552248739 380697165 /nfs/dbraw/zinc/69/71/65/380697165.db2.gz RERAQIGDYYKVFH-UPJWGTAASA-N 2 1 265.426 2.414 20 0 CEADMP CC[N@H+]1CCN(C(=O)CC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000553000335 380720056 /nfs/dbraw/zinc/72/00/56/380720056.db2.gz BHSMSHVLEQMTSX-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC000553000335 380720059 /nfs/dbraw/zinc/72/00/59/380720059.db2.gz BHSMSHVLEQMTSX-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP C1CC2(CCOCC2)[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000554560778 380783406 /nfs/dbraw/zinc/78/34/06/380783406.db2.gz GLPGRRBAYPUHCM-SOUVJXGZSA-N 2 1 264.413 2.162 20 0 CEADMP C1CC2(CCOCC2)[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000554560778 380783409 /nfs/dbraw/zinc/78/34/09/380783409.db2.gz GLPGRRBAYPUHCM-SOUVJXGZSA-N 2 1 264.413 2.162 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3cccnc3o2)C1 ZINC000556149687 380876009 /nfs/dbraw/zinc/87/60/09/380876009.db2.gz VZVPNBYTKLEDMF-GFCCVEGCSA-N 2 1 259.353 2.259 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3cccnc3o2)C1 ZINC000556149687 380876020 /nfs/dbraw/zinc/87/60/20/380876020.db2.gz VZVPNBYTKLEDMF-GFCCVEGCSA-N 2 1 259.353 2.259 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000334857934 207197250 /nfs/dbraw/zinc/19/72/50/207197250.db2.gz QNNDHHZXWNJPMP-ZWNOBZJWSA-N 2 1 278.787 2.075 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000334869551 207217844 /nfs/dbraw/zinc/21/78/44/207217844.db2.gz YAZOELYVWLMDHG-HNNXBMFYSA-N 2 1 277.387 2.088 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000335025373 207490957 /nfs/dbraw/zinc/49/09/57/207490957.db2.gz JTCIUXJARGIEBJ-KBPBESRZSA-N 2 1 258.369 2.084 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)CC12CCOCC2 ZINC000335256342 208037690 /nfs/dbraw/zinc/03/76/90/208037690.db2.gz OCAIIRGRVJIAOG-CYBMUJFWSA-N 2 1 296.361 2.152 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC12CCOCC2 ZINC000335256342 208037693 /nfs/dbraw/zinc/03/76/93/208037693.db2.gz OCAIIRGRVJIAOG-CYBMUJFWSA-N 2 1 296.361 2.152 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000335292898 208120384 /nfs/dbraw/zinc/12/03/84/208120384.db2.gz ALEPRCSEWJRKTL-MRXNPFEDSA-N 2 1 290.455 2.201 20 0 CEADMP OC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000386154815 542369306 /nfs/dbraw/zinc/36/93/06/542369306.db2.gz JMGJLCCZVRRRJM-PMPSAXMXSA-N 2 1 266.429 2.144 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000289350928 197307338 /nfs/dbraw/zinc/30/73/38/197307338.db2.gz HFVXARXRTZJSEF-SJORKVTESA-N 2 1 284.407 2.227 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000353862296 220373974 /nfs/dbraw/zinc/37/39/74/220373974.db2.gz CAFMDLWHHBTFRQ-IPYPFGDCSA-N 2 1 272.396 2.153 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000353862296 220373978 /nfs/dbraw/zinc/37/39/78/220373978.db2.gz CAFMDLWHHBTFRQ-IPYPFGDCSA-N 2 1 272.396 2.153 20 0 CEADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccoc2C)CC1 ZINC000414447194 533135643 /nfs/dbraw/zinc/13/56/43/533135643.db2.gz PCQMAHIGYKEWJW-UHFFFAOYSA-N 2 1 287.363 2.314 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000281534751 195278920 /nfs/dbraw/zinc/27/89/20/195278920.db2.gz YWMGSZBEPHDQDB-UHFFFAOYSA-N 2 1 275.400 2.457 20 0 CEADMP CC[C@H](O)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000281647585 195321211 /nfs/dbraw/zinc/32/12/11/195321211.db2.gz NECXFKOVYIAWLZ-PVAVHDDUSA-N 2 1 276.424 2.258 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC000174780683 285369769 /nfs/dbraw/zinc/36/97/69/285369769.db2.gz ONXUXEKDNRSUKQ-HZPDHXFCSA-N 2 1 267.461 2.134 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)CC[C@H]1[NH3+] ZINC000299990182 394453198 /nfs/dbraw/zinc/45/31/98/394453198.db2.gz KRSFYHJHNWNWJX-MGPQQGTHSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNc2nccc(N(C)C)n2)C1 ZINC000301717620 394464443 /nfs/dbraw/zinc/46/44/43/394464443.db2.gz HQQXRSAZGYIHLC-CQSZACIVSA-N 2 1 291.443 2.467 20 0 CEADMP C[C@@H]1CCC[N@H+](CCCCNc2nc(N(C)C)cc[nH+]2)C1 ZINC000301717620 394464447 /nfs/dbraw/zinc/46/44/47/394464447.db2.gz HQQXRSAZGYIHLC-CQSZACIVSA-N 2 1 291.443 2.467 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNc2nc(N(C)C)cc[nH+]2)C1 ZINC000301717620 394464450 /nfs/dbraw/zinc/46/44/50/394464450.db2.gz HQQXRSAZGYIHLC-CQSZACIVSA-N 2 1 291.443 2.467 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](CCO)CC1 ZINC000421021123 394468144 /nfs/dbraw/zinc/46/81/44/394468144.db2.gz SEGMJEVIQUBPNP-HNNXBMFYSA-N 2 1 256.434 2.203 20 0 CEADMP CCCCC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252550258 394571980 /nfs/dbraw/zinc/57/19/80/394571980.db2.gz OMRCQCKUVCFPHT-KKUMJFAQSA-N 2 1 254.418 2.408 20 0 CEADMP CCCCC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252550258 394571983 /nfs/dbraw/zinc/57/19/83/394571983.db2.gz OMRCQCKUVCFPHT-KKUMJFAQSA-N 2 1 254.418 2.408 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000356637588 394581125 /nfs/dbraw/zinc/58/11/25/394581125.db2.gz FGPCPMIVASOPMW-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246833085 394522466 /nfs/dbraw/zinc/52/24/66/394522466.db2.gz OHLLFVPWJUWFEV-CWRNSKLLSA-N 2 1 264.413 2.114 20 0 CEADMP CC(C)[C@](C)(O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000248552126 394542368 /nfs/dbraw/zinc/54/23/68/394542368.db2.gz IYPDCHFIDCKZBE-HYVNUMGLSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000248552126 394542372 /nfs/dbraw/zinc/54/23/72/394542372.db2.gz IYPDCHFIDCKZBE-HYVNUMGLSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000248552126 394542375 /nfs/dbraw/zinc/54/23/75/394542375.db2.gz IYPDCHFIDCKZBE-HYVNUMGLSA-N 2 1 280.456 2.342 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C1(OC)CCCCC1 ZINC000421820879 394605617 /nfs/dbraw/zinc/60/56/17/394605617.db2.gz OFLVGPOAZVFWCV-HNNXBMFYSA-N 2 1 286.460 2.282 20 0 CEADMP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000261724531 394606727 /nfs/dbraw/zinc/60/67/27/394606727.db2.gz QMNSLORDJCBOBO-BZUAXINKSA-N 2 1 293.455 2.027 20 0 CEADMP CCn1ccnc1[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261797772 394607495 /nfs/dbraw/zinc/60/74/95/394607495.db2.gz GRWRFFUXIDNUHO-OAHLLOKOSA-N 2 1 276.428 2.430 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)CCO1 ZINC000356973000 394669306 /nfs/dbraw/zinc/66/93/06/394669306.db2.gz AVVVHMSVOWMGEQ-HRCADAONSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)CCO1 ZINC000356973000 394669310 /nfs/dbraw/zinc/66/93/10/394669310.db2.gz AVVVHMSVOWMGEQ-HRCADAONSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)CCO1 ZINC000356973000 394669313 /nfs/dbraw/zinc/66/93/13/394669313.db2.gz AVVVHMSVOWMGEQ-HRCADAONSA-N 2 1 268.445 2.465 20 0 CEADMP Cc1[nH]nc2ncc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3C)cc12 ZINC000356908315 394649689 /nfs/dbraw/zinc/64/96/89/394649689.db2.gz AEKRFPONZAUCPI-LLVKDONJSA-N 2 1 298.394 2.197 20 0 CEADMP CC(=O)Nc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422707981 394730815 /nfs/dbraw/zinc/73/08/15/394730815.db2.gz BCQNZBXWENZGNI-DYVFJYSZSA-N 2 1 289.423 2.308 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422708146 394731061 /nfs/dbraw/zinc/73/10/61/394731061.db2.gz XCAACSDHUPVOKX-SOUVJXGZSA-N 2 1 254.418 2.048 20 0 CEADMP CC1CCC([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000110758127 394737403 /nfs/dbraw/zinc/73/74/03/394737403.db2.gz PHBXEUKBADQYLT-UHFFFAOYSA-N 2 1 267.461 2.181 20 0 CEADMP CCOC(=O)C[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CCCC1 ZINC000414704083 394749074 /nfs/dbraw/zinc/74/90/74/394749074.db2.gz KFEKDNIRXYFHTD-UONOGXRCSA-N 2 1 282.428 2.182 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000422724448 394741373 /nfs/dbraw/zinc/74/13/73/394741373.db2.gz VRSZOTGDLIXVNW-ZIAGYGMSSA-N 3 1 290.455 2.231 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000414096212 394701475 /nfs/dbraw/zinc/70/14/75/394701475.db2.gz HOVKMVFFLHLCNP-GZBFAFLISA-N 2 1 277.412 2.094 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000414096212 394701479 /nfs/dbraw/zinc/70/14/79/394701479.db2.gz HOVKMVFFLHLCNP-GZBFAFLISA-N 2 1 277.412 2.094 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000357656753 394702300 /nfs/dbraw/zinc/70/23/00/394702300.db2.gz MMNSSCNTZVMHIX-KBMXLJTQSA-N 2 1 290.455 2.394 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000357656753 394702304 /nfs/dbraw/zinc/70/23/04/394702304.db2.gz MMNSSCNTZVMHIX-KBMXLJTQSA-N 2 1 290.455 2.394 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccn(C)n3)CC2)[nH+]1 ZINC000414112073 394705803 /nfs/dbraw/zinc/70/58/03/394705803.db2.gz JQPAIKHUBQPSDB-AWEZNQCLSA-N 2 1 299.422 2.443 20 0 CEADMP CN(C)C(=O)CC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000358068811 394708668 /nfs/dbraw/zinc/70/86/68/394708668.db2.gz WWLJPLWEUSCBLJ-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1=CC[N@@H+](C)CC1 ZINC000358128568 394709832 /nfs/dbraw/zinc/70/98/32/394709832.db2.gz QKEWKXBGVQQVQU-HUUCEWRRSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH+]1CCC([NH2+]C[C@@](C)(O)c2cccs2)CC1 ZINC000269060584 394710943 /nfs/dbraw/zinc/71/09/43/394710943.db2.gz UEIAPWHUOXRMCO-CQSZACIVSA-N 2 1 268.426 2.030 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](Cc2nc3ccccc3n2C)C[C@H]1C[NH3+] ZINC000422561530 394711000 /nfs/dbraw/zinc/71/10/00/394711000.db2.gz LSZQFFDIKZSAPM-HZSPNIEDSA-N 2 1 286.423 2.379 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc3ccccc3n2C)C[C@H]1C[NH3+] ZINC000422561530 394711004 /nfs/dbraw/zinc/71/10/04/394711004.db2.gz LSZQFFDIKZSAPM-HZSPNIEDSA-N 2 1 286.423 2.379 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc3c2OCCO3)C[C@@H]1C[NH3+] ZINC000422563904 394712606 /nfs/dbraw/zinc/71/26/06/394712606.db2.gz UWMVPJNFQOWXAW-IPYPFGDCSA-N 2 1 290.407 2.263 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cn1 ZINC000422565378 394713425 /nfs/dbraw/zinc/71/34/25/394713425.db2.gz YVLYPQOPJFJHII-DZKIICNBSA-N 2 1 290.455 2.343 20 0 CEADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC000358255924 394714004 /nfs/dbraw/zinc/71/40/04/394714004.db2.gz QYYDGCLEIMUYPP-JKSUJKDBSA-N 2 1 268.445 2.392 20 0 CEADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC000358255924 394714006 /nfs/dbraw/zinc/71/40/06/394714006.db2.gz QYYDGCLEIMUYPP-JKSUJKDBSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC000334856314 394715364 /nfs/dbraw/zinc/71/53/64/394715364.db2.gz HWCHTCKXCSBUNL-RYUDHWBXSA-N 2 1 250.411 2.494 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000414169220 394721577 /nfs/dbraw/zinc/72/15/77/394721577.db2.gz AUYOLTBJMHAZIO-ZIAGYGMSSA-N 2 1 264.417 2.286 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414677770 394748004 /nfs/dbraw/zinc/74/80/04/394748004.db2.gz JQQFLEHJMNYNQA-BFYDXBDKSA-N 2 1 274.408 2.448 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422736865 394748319 /nfs/dbraw/zinc/74/83/19/394748319.db2.gz HFLPHGINYHCBIB-XHSDSOJGSA-N 2 1 267.461 2.229 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414952724 394822026 /nfs/dbraw/zinc/82/20/26/394822026.db2.gz ITOZMGWCZFMPHH-NHYWBVRUSA-N 2 1 278.444 2.343 20 0 CEADMP CC(C)Cn1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000414822496 394752637 /nfs/dbraw/zinc/75/26/37/394752637.db2.gz AICNMBNWDURELS-UKRRQHHQSA-N 2 1 264.417 2.017 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000422746614 394755498 /nfs/dbraw/zinc/75/54/98/394755498.db2.gz NYGFBKOMGLTBIB-GUYCJALGSA-N 2 1 293.430 2.365 20 0 CEADMP COc1ccccc1[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000422748153 394756330 /nfs/dbraw/zinc/75/63/30/394756330.db2.gz SGVGMJNYKVIFHT-BMFZPTHFSA-N 2 1 291.439 2.028 20 0 CEADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC000271425080 394757310 /nfs/dbraw/zinc/75/73/10/394757310.db2.gz CKDSKLCCJCFKPD-AEGPPILISA-N 2 1 290.407 2.071 20 0 CEADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC000271425080 394757313 /nfs/dbraw/zinc/75/73/13/394757313.db2.gz CKDSKLCCJCFKPD-AEGPPILISA-N 2 1 290.407 2.071 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414829660 394757865 /nfs/dbraw/zinc/75/78/65/394757865.db2.gz NXPYHWWJPDUHCX-HNNXBMFYSA-N 2 1 284.407 2.270 20 0 CEADMP COc1cc(C[NH2+][C@H](C[NH3+])CC(C)C)ccc1C ZINC000414830367 394758037 /nfs/dbraw/zinc/75/80/37/394758037.db2.gz AYJONDPLHAMTHE-AWEZNQCLSA-N 2 1 250.386 2.467 20 0 CEADMP C[N@H+](CCN[C@H]1CCCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000422759182 394764544 /nfs/dbraw/zinc/76/45/44/394764544.db2.gz KUYXMTQDNWBGRB-SJORKVTESA-N 2 1 275.440 2.368 20 0 CEADMP C[N@@H+](CCN[C@H]1CCCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000422759182 394764548 /nfs/dbraw/zinc/76/45/48/394764548.db2.gz KUYXMTQDNWBGRB-SJORKVTESA-N 2 1 275.440 2.368 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000414843010 394765578 /nfs/dbraw/zinc/76/55/78/394765578.db2.gz PJZBFTXITVUBHP-SSDOTTSWSA-N 2 1 267.320 2.107 20 0 CEADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414842604 394766062 /nfs/dbraw/zinc/76/60/62/394766062.db2.gz IVCBVRREXCTNMT-UKRRQHHQSA-N 2 1 289.423 2.308 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422763651 394767783 /nfs/dbraw/zinc/76/77/83/394767783.db2.gz UGSZMHIJUFCTLP-USXIJHARSA-N 2 1 275.440 2.019 20 0 CEADMP COc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1OC ZINC000414846240 394768316 /nfs/dbraw/zinc/76/83/16/394768316.db2.gz DVFKRGXUHBBEIU-CHWSQXEVSA-N 2 1 278.396 2.182 20 0 CEADMP Fc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422769171 394771063 /nfs/dbraw/zinc/77/10/63/394771063.db2.gz USYUETMIBAFPJU-FVQBIDKESA-N 2 1 278.371 2.072 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000414852446 394771743 /nfs/dbraw/zinc/77/17/43/394771743.db2.gz RCWFARQYMMSQSF-UKRRQHHQSA-N 2 1 266.433 2.358 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000422775665 394775362 /nfs/dbraw/zinc/77/53/62/394775362.db2.gz BBLDLFZKJPBIIN-IGQOVBAYSA-N 2 1 252.402 2.064 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1c[nH+]ccc1N ZINC000422775754 394775805 /nfs/dbraw/zinc/77/58/05/394775805.db2.gz CFLBFADLHSIEHH-UKRRQHHQSA-N 2 1 285.391 2.311 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422776905 394776645 /nfs/dbraw/zinc/77/66/45/394776645.db2.gz FFIUNWPXZWGQQE-BBWFWOEESA-N 3 1 290.455 2.482 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000414864484 394776815 /nfs/dbraw/zinc/77/68/15/394776815.db2.gz ZFINNHJAOJSZKR-UHFFFAOYSA-N 2 1 299.212 2.083 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc(Cl)c1OC ZINC000414955628 394823826 /nfs/dbraw/zinc/82/38/26/394823826.db2.gz MINMEZNYQZGUOA-GXFFZTMASA-N 2 1 298.814 2.445 20 0 CEADMP Fc1cccc(Cl)c1CCC[NH2+][C@H]1CC[NH2+]C1 ZINC000414882388 394786284 /nfs/dbraw/zinc/78/62/84/394786284.db2.gz MHXCAESFOQDYQX-JTQLQIEISA-N 2 1 256.752 2.363 20 0 CEADMP C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)C1C[NH2+]C1 ZINC000422789022 394787265 /nfs/dbraw/zinc/78/72/65/394787265.db2.gz SVGDMMIRDJVTEJ-XZJROXQQSA-N 2 1 278.371 2.243 20 0 CEADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422794354 394791739 /nfs/dbraw/zinc/79/17/39/394791739.db2.gz UFFBJBWQBLOXID-DLBZAZTESA-N 3 1 275.440 2.498 20 0 CEADMP COc1cccc(O[C@@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422796912 394793820 /nfs/dbraw/zinc/79/38/20/394793820.db2.gz ZJEJNURMDWEPQT-WOSRLPQWSA-N 2 1 278.396 2.193 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1c[nH]nc1-c1ccccc1F)C1CC1 ZINC000414895310 394793827 /nfs/dbraw/zinc/79/38/27/394793827.db2.gz MYGOAAOZUIROPC-AWEZNQCLSA-N 2 1 274.343 2.043 20 0 CEADMP C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422801226 394796467 /nfs/dbraw/zinc/79/64/67/394796467.db2.gz BKZOCBYIPMTQPC-QAPCUYQASA-N 2 1 287.451 2.165 20 0 CEADMP CO[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)C(C)(C)C ZINC000422803576 394798626 /nfs/dbraw/zinc/79/86/26/394798626.db2.gz CYFDUWWXLYDROH-ZWNOBZJWSA-N 2 1 251.374 2.206 20 0 CEADMP COC(=O)c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414909082 394799570 /nfs/dbraw/zinc/79/95/70/394799570.db2.gz BWEFOCFZUBUITA-QWHCGFSZSA-N 2 1 296.798 2.486 20 0 CEADMP C[C@]1(C[NH2+]Cc2cc(O)cc(F)c2)CCC[NH2+]C1 ZINC000414919813 394803790 /nfs/dbraw/zinc/80/37/90/394803790.db2.gz XUZALOSUEQMGSE-AWEZNQCLSA-N 2 1 252.333 2.011 20 0 CEADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000414923095 394805327 /nfs/dbraw/zinc/80/53/27/394805327.db2.gz DUZXLDKJZNFOKJ-VHSXEESVSA-N 2 1 299.802 2.003 20 0 CEADMP C[C@@H]([NH2+]CCc1cc(F)ccc1F)[C@H]1CCC[NH2+]1 ZINC000422818488 394809194 /nfs/dbraw/zinc/80/91/94/394809194.db2.gz GMBOSSCILRNFGI-QMTHXVAHSA-N 2 1 254.324 2.237 20 0 CEADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000414932405 394810039 /nfs/dbraw/zinc/81/00/39/394810039.db2.gz RAMXRUOWPRNYAI-XGUBFFRZSA-N 2 1 254.418 2.025 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2N)CC1 ZINC000422837767 394821044 /nfs/dbraw/zinc/82/10/44/394821044.db2.gz MRLWFIOONCBXGN-HZPDHXFCSA-N 2 1 267.461 2.214 20 0 CEADMP COc1ccc2c(c1)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000336056128 394821364 /nfs/dbraw/zinc/82/13/64/394821364.db2.gz DJAUNADCEZKTPZ-ZDUSSCGKSA-N 2 1 260.381 2.053 20 0 CEADMP COc1ccc2c(c1)C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000336056128 394821368 /nfs/dbraw/zinc/82/13/68/394821368.db2.gz DJAUNADCEZKTPZ-ZDUSSCGKSA-N 2 1 260.381 2.053 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc(C2CCC2)s1 ZINC000414952683 394821680 /nfs/dbraw/zinc/82/16/80/394821680.db2.gz IPFZXCBIQJMERH-ZWNOBZJWSA-N 2 1 265.426 2.498 20 0 CEADMP CC(C)C[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415047625 394863781 /nfs/dbraw/zinc/86/37/81/394863781.db2.gz FDVNMMWOSNRVHH-QQFBHYJXSA-N 2 1 267.461 2.227 20 0 CEADMP Cn1cnc2cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc21 ZINC000415052575 394865838 /nfs/dbraw/zinc/86/58/38/394865838.db2.gz IPWHHPHXBXBJHS-CQSZACIVSA-N 2 1 260.385 2.036 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)C1CCCC1 ZINC000415055068 394867693 /nfs/dbraw/zinc/86/76/93/394867693.db2.gz QUEAMVWKSWTCHX-KRWDZBQOSA-N 2 1 284.407 2.479 20 0 CEADMP FC(F)(F)CC[NH+]1CCC(NCCC[NH2+]C2CC2)CC1 ZINC000415066882 394871834 /nfs/dbraw/zinc/87/18/34/394871834.db2.gz JNIWYNFRQBUYIO-UHFFFAOYSA-N 2 1 293.377 2.135 20 0 CEADMP CC(C)n1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)n1 ZINC000415065397 394872259 /nfs/dbraw/zinc/87/22/59/394872259.db2.gz GCJYMDVVZTYOFY-DZGCQCFKSA-N 2 1 264.417 2.127 20 0 CEADMP CCCOc1ncccc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422973651 394872715 /nfs/dbraw/zinc/87/27/15/394872715.db2.gz PENZGSXIPXXKCX-UKRRQHHQSA-N 2 1 277.412 2.348 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)n1 ZINC000415070392 394874774 /nfs/dbraw/zinc/87/47/74/394874774.db2.gz UWOIISDWOASSAS-DOMZBBRYSA-N 2 1 277.412 2.128 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)C1CCCC1 ZINC000415071623 394874814 /nfs/dbraw/zinc/87/48/14/394874814.db2.gz WTLLAUBIOKVDSI-MRXNPFEDSA-N 2 1 288.439 2.289 20 0 CEADMP CCc1ccc([C@H](COC)[NH2+][C@@H](C)C[C@H](C)[NH3+])o1 ZINC000422990062 394875030 /nfs/dbraw/zinc/87/50/30/394875030.db2.gz BKTZSPUOGJMMDX-GVXVVHGQSA-N 2 1 254.374 2.245 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415073099 394875993 /nfs/dbraw/zinc/87/59/93/394875993.db2.gz NBXXVZJCEGVSRO-DOMZBBRYSA-N 2 1 250.361 2.488 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422990838 394876149 /nfs/dbraw/zinc/87/61/49/394876149.db2.gz ABIIJFBZRSKBTA-CGZBRXJRSA-N 3 1 281.488 2.462 20 0 CEADMP CC(C)CSCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423008664 394878386 /nfs/dbraw/zinc/87/83/86/394878386.db2.gz AWJTWEIEFWFLAU-RRFJBIMHSA-N 2 1 286.485 2.122 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCOCC(F)(F)F)CC[N@H+]1C ZINC000130017958 394879033 /nfs/dbraw/zinc/87/90/33/394879033.db2.gz HQJVMAIRSLBXML-WDEREUQCSA-N 2 1 268.323 2.028 20 0 CEADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336815985 394879557 /nfs/dbraw/zinc/87/95/57/394879557.db2.gz JZJFCSQHJZIDAD-OWCLPIDISA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336815985 394879559 /nfs/dbraw/zinc/87/95/59/394879559.db2.gz JZJFCSQHJZIDAD-OWCLPIDISA-N 2 1 268.445 2.246 20 0 CEADMP C[C@@H]([NH2+]C[C@](C)(CO)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423083403 394885743 /nfs/dbraw/zinc/88/57/43/394885743.db2.gz YUWDUTKHYLIXJL-BPQIPLTHSA-N 2 1 290.451 2.348 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414961345 394827051 /nfs/dbraw/zinc/82/70/51/394827051.db2.gz YWEPVVQUBFTWSU-YJBOKZPZSA-N 2 1 287.451 2.381 20 0 CEADMP FC1(F)CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000423013628 394882664 /nfs/dbraw/zinc/88/26/64/394882664.db2.gz NBMJULBGEYZMNY-MGPQQGTHSA-N 2 1 288.382 2.311 20 0 CEADMP CCCC1CCC(C[NH2+]C[C@@H]2C[NH2+]CCN2C)CC1 ZINC000414967995 394830536 /nfs/dbraw/zinc/83/05/36/394830536.db2.gz QWBCVXQCNALSRV-GPANFISMSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000422855216 394831985 /nfs/dbraw/zinc/83/19/85/394831985.db2.gz DSROEFKXPDXVRT-LVQVYYBASA-N 2 1 267.461 2.499 20 0 CEADMP CC[C@H]([NH3+])CN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414977316 394833514 /nfs/dbraw/zinc/83/35/14/394833514.db2.gz JPCXJFPCQRCLLY-BPUTZDHNSA-N 2 1 261.413 2.149 20 0 CEADMP CC[C@H]([NH3+])CN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414977318 394834046 /nfs/dbraw/zinc/83/40/46/394834046.db2.gz JPCXJFPCQRCLLY-CWRNSKLLSA-N 2 1 261.413 2.149 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(SC)c(OC)c1 ZINC000414981186 394835421 /nfs/dbraw/zinc/83/54/21/394835421.db2.gz QNSPRLHDECATIJ-LLVKDONJSA-N 2 1 254.399 2.244 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000414981661 394835605 /nfs/dbraw/zinc/83/56/05/394835605.db2.gz QVTQRSPFFMHQSV-SNVBAGLBSA-N 2 1 262.275 2.412 20 0 CEADMP CC(C)C[C@H](C[NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000414983108 394836547 /nfs/dbraw/zinc/83/65/47/394836547.db2.gz ZWGHOEXZTRUUKZ-MSOLQXFVSA-N 2 1 289.467 2.310 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000422864343 394836753 /nfs/dbraw/zinc/83/67/53/394836753.db2.gz UULBQCLPLIULLY-NUEKZKHPSA-N 2 1 265.445 2.253 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422870180 394840818 /nfs/dbraw/zinc/84/08/18/394840818.db2.gz BIBWQVFIMMXVKG-QBYUYEEZSA-N 2 1 275.440 2.365 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422870180 394840820 /nfs/dbraw/zinc/84/08/20/394840820.db2.gz BIBWQVFIMMXVKG-QBYUYEEZSA-N 2 1 275.440 2.365 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422874824 394843855 /nfs/dbraw/zinc/84/38/55/394843855.db2.gz DIDNJKTWRJJOAO-HRCADAONSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422874824 394843858 /nfs/dbraw/zinc/84/38/58/394843858.db2.gz DIDNJKTWRJJOAO-HRCADAONSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422874824 394843861 /nfs/dbraw/zinc/84/38/61/394843861.db2.gz DIDNJKTWRJJOAO-HRCADAONSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422877334 394844910 /nfs/dbraw/zinc/84/49/10/394844910.db2.gz HRCIVRUWLQVOFK-XHSDSOJGSA-N 3 1 267.461 2.371 20 0 CEADMP C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422877334 394844912 /nfs/dbraw/zinc/84/49/12/394844912.db2.gz HRCIVRUWLQVOFK-XHSDSOJGSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422877334 394844913 /nfs/dbraw/zinc/84/49/13/394844913.db2.gz HRCIVRUWLQVOFK-XHSDSOJGSA-N 2 1 267.461 2.371 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc(OC)c1OC ZINC000422880009 394846126 /nfs/dbraw/zinc/84/61/26/394846126.db2.gz LINKWMWRKQZTIK-LLVKDONJSA-N 2 1 294.395 2.115 20 0 CEADMP C[C@H]1CC[NH2+][C@@H](C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000126783373 394849071 /nfs/dbraw/zinc/84/90/71/394849071.db2.gz XXDMSZRCSYLMKM-GOEBONIOSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000422888410 394851018 /nfs/dbraw/zinc/85/10/18/394851018.db2.gz CRRPGUVWHDECET-UKRRQHHQSA-N 3 1 255.450 2.214 20 0 CEADMP CC[C@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422890657 394853228 /nfs/dbraw/zinc/85/32/28/394853228.db2.gz SUVUQOJUVDCRSM-FZKCQIBNSA-N 2 1 267.461 2.370 20 0 CEADMP COc1ccc(COCCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422910053 394859388 /nfs/dbraw/zinc/85/93/88/394859388.db2.gz POQKMAKYJRDVAJ-RHSMWYFYSA-N 2 1 292.423 2.190 20 0 CEADMP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1O ZINC000415041790 394860430 /nfs/dbraw/zinc/86/04/30/394860430.db2.gz LRXGNVOEQYSSBL-GJZGRUSLSA-N 2 1 290.407 2.365 20 0 CEADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1O ZINC000415041790 394860433 /nfs/dbraw/zinc/86/04/33/394860433.db2.gz LRXGNVOEQYSSBL-GJZGRUSLSA-N 2 1 290.407 2.365 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OCC(C)C ZINC000415042951 394861719 /nfs/dbraw/zinc/86/17/19/394861719.db2.gz TWEMEINXEVOUJT-HALDLXJZSA-N 2 1 290.407 2.037 20 0 CEADMP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000422918886 394862047 /nfs/dbraw/zinc/86/20/47/394862047.db2.gz IRAQARCEHUWWGE-QXULXFAOSA-N 2 1 278.371 2.386 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000363791030 394886212 /nfs/dbraw/zinc/88/62/12/394886212.db2.gz BRFSYXCBTSPQHJ-CQSZACIVSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000363791030 394886219 /nfs/dbraw/zinc/88/62/19/394886219.db2.gz BRFSYXCBTSPQHJ-CQSZACIVSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1ccccc1OCC[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415090709 394886123 /nfs/dbraw/zinc/88/61/23/394886123.db2.gz ZIVHYEWTAKZLJZ-AWEZNQCLSA-N 2 1 250.386 2.337 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c2ccccc21 ZINC000423196114 394887716 /nfs/dbraw/zinc/88/77/16/394887716.db2.gz YXBNDHQPPUKJRX-MQYQWHSLSA-N 2 1 282.334 2.270 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000423197608 394888316 /nfs/dbraw/zinc/88/83/16/394888316.db2.gz ABIYPOCLNRWAAV-CYBMUJFWSA-N 2 1 258.369 2.132 20 0 CEADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000415097371 394888840 /nfs/dbraw/zinc/88/88/40/394888840.db2.gz DAKWKHHVRNXNCB-GJZGRUSLSA-N 2 1 250.361 2.344 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415100321 394890044 /nfs/dbraw/zinc/89/00/44/394890044.db2.gz ABQYDRXTJAYDIB-JSGCOSHPSA-N 2 1 264.417 2.189 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415100321 394890047 /nfs/dbraw/zinc/89/00/47/394890047.db2.gz ABQYDRXTJAYDIB-JSGCOSHPSA-N 2 1 264.417 2.189 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415100323 394890296 /nfs/dbraw/zinc/89/02/96/394890296.db2.gz ABQYDRXTJAYDIB-OCCSQVGLSA-N 2 1 264.417 2.189 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415100323 394890297 /nfs/dbraw/zinc/89/02/97/394890297.db2.gz ABQYDRXTJAYDIB-OCCSQVGLSA-N 2 1 264.417 2.189 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1C ZINC000415100948 394890528 /nfs/dbraw/zinc/89/05/28/394890528.db2.gz AZAJTYJIMGISOW-KRWDZBQOSA-N 2 1 299.422 2.191 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000130743937 394895678 /nfs/dbraw/zinc/89/56/78/394895678.db2.gz IJOMJBMTGKDSQX-YCPHGPKFSA-N 2 1 274.408 2.483 20 0 CEADMP C[C@@H](NCC(F)(F)C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423348829 394895791 /nfs/dbraw/zinc/89/57/91/394895791.db2.gz VGQDDDWUZUGQCN-UKRRQHHQSA-N 2 1 297.393 2.081 20 0 CEADMP C[C@@H](NCC(F)(F)C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423348829 394895797 /nfs/dbraw/zinc/89/57/97/394895797.db2.gz VGQDDDWUZUGQCN-UKRRQHHQSA-N 2 1 297.393 2.081 20 0 CEADMP Fc1cncc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423355296 394899299 /nfs/dbraw/zinc/89/92/99/394899299.db2.gz HWHUYRBOYNGUDL-CABCVRRESA-N 2 1 263.360 2.404 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000423363966 394901257 /nfs/dbraw/zinc/90/12/57/394901257.db2.gz OKCNIKGVUSDCNC-BARDWOONSA-N 2 1 276.428 2.034 20 0 CEADMP CCOc1cc(C[N@H+](C)CCC[NH2+]C)ccc1OC ZINC000415140379 394902477 /nfs/dbraw/zinc/90/24/77/394902477.db2.gz ZACWARHHRJPQJO-UHFFFAOYSA-N 2 1 266.385 2.135 20 0 CEADMP CCOc1cc(C[N@@H+](C)CCC[NH2+]C)ccc1OC ZINC000415140379 394902481 /nfs/dbraw/zinc/90/24/81/394902481.db2.gz ZACWARHHRJPQJO-UHFFFAOYSA-N 2 1 266.385 2.135 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)[C@@H]1CCC[NH2+]1 ZINC000423370635 394904275 /nfs/dbraw/zinc/90/42/75/394904275.db2.gz UMKPNIITKCSREW-XFBWCDHKSA-N 2 1 259.397 2.376 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(O)cc32)CC[NH2+]1 ZINC000423371785 394905032 /nfs/dbraw/zinc/90/50/32/394905032.db2.gz FTBATJBCQJUQQY-KFNAQCHYSA-N 2 1 260.381 2.500 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000423374499 394906172 /nfs/dbraw/zinc/90/61/72/394906172.db2.gz WZFQUSIPHGYRNP-QLFBSQMISA-N 2 1 295.471 2.001 20 0 CEADMP CO[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000131454472 394910399 /nfs/dbraw/zinc/91/03/99/394910399.db2.gz GUZAOEHREAXKMY-KBMXLJTQSA-N 2 1 262.397 2.304 20 0 CEADMP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000423387298 394910418 /nfs/dbraw/zinc/91/04/18/394910418.db2.gz RWVRSKKPLOCYRW-GMXVVIOVSA-N 2 1 297.468 2.432 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC[NH2+]1 ZINC000423390960 394911514 /nfs/dbraw/zinc/91/15/14/394911514.db2.gz WQAPGGOLNDMDLS-WKPIXPDZSA-N 2 1 263.360 2.402 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423397576 394914590 /nfs/dbraw/zinc/91/45/90/394914590.db2.gz TXWRRRKYSNXTPX-PBFPGSCMSA-N 3 1 273.424 2.108 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000423397576 394914593 /nfs/dbraw/zinc/91/45/93/394914593.db2.gz TXWRRRKYSNXTPX-PBFPGSCMSA-N 2 1 273.424 2.108 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc2c(c1)C[NH2+]C2 ZINC000423397576 394914595 /nfs/dbraw/zinc/91/45/95/394914595.db2.gz TXWRRRKYSNXTPX-PBFPGSCMSA-N 2 1 273.424 2.108 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1C[NH2+]C2 ZINC000423399768 394915803 /nfs/dbraw/zinc/91/58/03/394915803.db2.gz UZABDDDIOCAGPB-IRXDYDNUSA-N 3 1 271.408 2.006 20 0 CEADMP c1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1C[NH2+]C2 ZINC000423399768 394915809 /nfs/dbraw/zinc/91/58/09/394915809.db2.gz UZABDDDIOCAGPB-IRXDYDNUSA-N 2 1 271.408 2.006 20 0 CEADMP c1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1C[NH2+]C2 ZINC000423399768 394915814 /nfs/dbraw/zinc/91/58/14/394915814.db2.gz UZABDDDIOCAGPB-IRXDYDNUSA-N 2 1 271.408 2.006 20 0 CEADMP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCCO2 ZINC000423423801 394919744 /nfs/dbraw/zinc/91/97/44/394919744.db2.gz FHGXPDBYOTYUCR-QSJFSLAZSA-N 2 1 272.392 2.325 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423450719 394923260 /nfs/dbraw/zinc/92/32/60/394923260.db2.gz UBZWNTWDPLQXIE-RDBSUJKOSA-N 3 1 279.428 2.013 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c2ccccc21 ZINC000423483484 394931242 /nfs/dbraw/zinc/93/12/42/394931242.db2.gz XWEMYUKLXZIIRZ-OJDYBEQGSA-N 2 1 290.407 2.494 20 0 CEADMP N[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423487370 394932764 /nfs/dbraw/zinc/93/27/64/394932764.db2.gz UGJKULLERSJYCB-DAXOMENPSA-N 2 1 259.397 2.253 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)[C@H]1C ZINC000423497891 394936215 /nfs/dbraw/zinc/93/62/15/394936215.db2.gz HOJBGOHBHFRTPJ-CYUUQNCZSA-N 2 1 282.428 2.071 20 0 CEADMP CC[C@H](C)[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423501359 394937083 /nfs/dbraw/zinc/93/70/83/394937083.db2.gz CROKPGWFZDSZGQ-QRNKSROTSA-N 2 1 267.461 2.227 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1(C)C ZINC000423503736 394938501 /nfs/dbraw/zinc/93/85/01/394938501.db2.gz NDCOYHRVMZLTNP-MELADBBJSA-N 2 1 254.418 2.297 20 0 CEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423505613 394939219 /nfs/dbraw/zinc/93/92/19/394939219.db2.gz HFWZQSLVOVCMCQ-GQGLESIBSA-N 2 1 279.472 2.227 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000339073313 394940633 /nfs/dbraw/zinc/94/06/33/394940633.db2.gz BQCHMGPGJBDLEX-OAGGEKHMSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccs1 ZINC000423511208 394942617 /nfs/dbraw/zinc/94/26/17/394942617.db2.gz KAWXIFWXRGNBNW-RYUDHWBXSA-N 2 1 254.399 2.167 20 0 CEADMP CC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340397262 394985080 /nfs/dbraw/zinc/98/50/80/394985080.db2.gz YSAQHRPZQHVSEO-JYJNAYRXSA-N 2 1 262.397 2.182 20 0 CEADMP CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340397262 394985082 /nfs/dbraw/zinc/98/50/82/394985082.db2.gz YSAQHRPZQHVSEO-JYJNAYRXSA-N 2 1 262.397 2.182 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981835 394991019 /nfs/dbraw/zinc/99/10/19/394991019.db2.gz WMEGWKXQVBYSSH-ZDUSSCGKSA-N 2 1 290.411 2.141 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cn2c(n1)CCCC2 ZINC000152772441 394998146 /nfs/dbraw/zinc/99/81/46/394998146.db2.gz YSNGMEPISQQVDD-YCPHGPKFSA-N 2 1 290.455 2.080 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cn2c(n1)CCCC2 ZINC000152772550 394998170 /nfs/dbraw/zinc/99/81/70/394998170.db2.gz YSNGMEPISQQVDD-IIAWOOMASA-N 2 1 290.455 2.080 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000341379171 395000577 /nfs/dbraw/zinc/00/05/77/395000577.db2.gz OZTKGOKIRDCNCO-GVDBMIGSSA-N 2 1 278.440 2.433 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000342688553 395018787 /nfs/dbraw/zinc/01/87/87/395018787.db2.gz CYCCEAKPMPPAQA-BZUAXINKSA-N 2 1 295.471 2.003 20 0 CEADMP CCCCOCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158499053 395046381 /nfs/dbraw/zinc/04/63/81/395046381.db2.gz DNXKVWGOADLOOC-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCCCOCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158499053 395046384 /nfs/dbraw/zinc/04/63/84/395046384.db2.gz DNXKVWGOADLOOC-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCCCOCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158499053 395046387 /nfs/dbraw/zinc/04/63/87/395046387.db2.gz DNXKVWGOADLOOC-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000158829376 395054841 /nfs/dbraw/zinc/05/48/41/395054841.db2.gz BGWWZSAYQINKQF-LSDHHAIUSA-N 2 1 276.428 2.268 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000158829376 395054844 /nfs/dbraw/zinc/05/48/44/395054844.db2.gz BGWWZSAYQINKQF-LSDHHAIUSA-N 2 1 276.428 2.268 20 0 CEADMP CCOC[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000161874570 395066500 /nfs/dbraw/zinc/06/65/00/395066500.db2.gz VDVWRFWEKKSBHW-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCOC[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000161874570 395066507 /nfs/dbraw/zinc/06/65/07/395066507.db2.gz VDVWRFWEKKSBHW-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCOC[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000161874570 395066514 /nfs/dbraw/zinc/06/65/14/395066514.db2.gz VDVWRFWEKKSBHW-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP Cc1nccn1CCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000162292204 395072482 /nfs/dbraw/zinc/07/24/82/395072482.db2.gz BDWMUNPFKXWICF-SJORKVTESA-N 2 1 290.455 2.388 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000162292204 395072486 /nfs/dbraw/zinc/07/24/86/395072486.db2.gz BDWMUNPFKXWICF-SJORKVTESA-N 3 1 290.455 2.388 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000162292204 395072490 /nfs/dbraw/zinc/07/24/90/395072490.db2.gz BDWMUNPFKXWICF-SJORKVTESA-N 3 1 290.455 2.388 20 0 CEADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[NH+](C)C ZINC000289302675 395073547 /nfs/dbraw/zinc/07/35/47/395073547.db2.gz SIHUJTCXUOEFEV-ZDUSSCGKSA-N 2 1 266.360 2.363 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Cn2cccn2)CC1 ZINC000163096335 395080054 /nfs/dbraw/zinc/08/00/54/395080054.db2.gz BVYFMFPQCMHGAC-MRXNPFEDSA-N 2 1 276.428 2.079 20 0 CEADMP Cn1cc(C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000163086945 395080874 /nfs/dbraw/zinc/08/08/74/395080874.db2.gz GXYMQYRJAUPNBB-INIZCTEOSA-N 2 1 276.428 2.084 20 0 CEADMP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427127776 395093284 /nfs/dbraw/zinc/09/32/84/395093284.db2.gz HIIWYDHVGUHZSK-RDJZCZTQSA-N 2 1 274.408 2.441 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427127776 395093286 /nfs/dbraw/zinc/09/32/86/395093286.db2.gz HIIWYDHVGUHZSK-RDJZCZTQSA-N 2 1 274.408 2.441 20 0 CEADMP Cc1ccc2c(C)cc(N3CC[N@@H+]4CCOC[C@H]4C3)nc2c1 ZINC000372052841 395034146 /nfs/dbraw/zinc/03/41/46/395034146.db2.gz ICYDJLHCXYNNQR-OAHLLOKOSA-N 2 1 297.402 2.372 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@H]1NCc1ccnc(OC2CCCC2)c1 ZINC000343285997 395036545 /nfs/dbraw/zinc/03/65/45/395036545.db2.gz YCFIHAMNRQZFGD-XJKSGUPXSA-N 2 1 289.423 2.443 20 0 CEADMP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cn1 ZINC000158094353 395037571 /nfs/dbraw/zinc/03/75/71/395037571.db2.gz VXHAJVBRLHDKCO-AWEZNQCLSA-N 2 1 277.412 2.302 20 0 CEADMP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000158177132 395039462 /nfs/dbraw/zinc/03/94/62/395039462.db2.gz GNEMWVDAQPOSID-DLBZAZTESA-N 3 1 281.488 2.428 20 0 CEADMP CC1CC[NH+](CCCC[NH2+][C@@H]2CCN(C)C[C@@H]2C)CC1 ZINC000158177132 395039464 /nfs/dbraw/zinc/03/94/64/395039464.db2.gz GNEMWVDAQPOSID-DLBZAZTESA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494656577 395132547 /nfs/dbraw/zinc/13/25/47/395132547.db2.gz VZPRMHGWQIJEQJ-XHSDSOJGSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H](C[NH2+]Cc1cncc(F)c1)C[NH+]1CCCCC1 ZINC000494614614 395127234 /nfs/dbraw/zinc/12/72/34/395127234.db2.gz MRZJYIYOCULWHD-ZDUSSCGKSA-N 2 1 265.376 2.432 20 0 CEADMP CC1=CCCN(CC2(C[N@H+]3CCC=C(C)C3)COC2)C1 ZINC000436270207 395104099 /nfs/dbraw/zinc/10/40/99/395104099.db2.gz NWYWXLDAWJWQLS-UHFFFAOYSA-N 2 1 276.424 2.307 20 0 CEADMP CC1=CCC[NH+](CC2(C[N@H+]3CCC=C(C)C3)COC2)C1 ZINC000436270207 395104101 /nfs/dbraw/zinc/10/41/01/395104101.db2.gz NWYWXLDAWJWQLS-UHFFFAOYSA-N 2 1 276.424 2.307 20 0 CEADMP CC1=CCC[NH+](CC2(C[N@@H+]3CCC=C(C)C3)COC2)C1 ZINC000436270207 395104103 /nfs/dbraw/zinc/10/41/03/395104103.db2.gz NWYWXLDAWJWQLS-UHFFFAOYSA-N 2 1 276.424 2.307 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4c3OCCCO4)C[C@H]12 ZINC000346840859 395109608 /nfs/dbraw/zinc/10/96/08/395109608.db2.gz GRLFOBGUTLNYMZ-AEGPPILISA-N 2 1 288.391 2.017 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCSCC[C@@H]2C)CC1 ZINC000348153853 395136364 /nfs/dbraw/zinc/13/63/64/395136364.db2.gz UTCSXQYKFBNKNM-INIZCTEOSA-N 2 1 299.528 2.230 20 0 CEADMP c1cc(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)o2)n[nH]1 ZINC000433338439 395225531 /nfs/dbraw/zinc/22/55/31/395225531.db2.gz WBOHNANGNFUNEJ-GFCCVEGCSA-N 2 1 286.379 2.244 20 0 CEADMP c1cc(-c2ccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)o2)n[nH]1 ZINC000433338439 395225536 /nfs/dbraw/zinc/22/55/36/395225536.db2.gz WBOHNANGNFUNEJ-GFCCVEGCSA-N 2 1 286.379 2.244 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)C1 ZINC000383774610 395187381 /nfs/dbraw/zinc/18/73/81/395187381.db2.gz RQYBNGNXROEFHH-SJORKVTESA-N 2 1 276.424 2.177 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)C1 ZINC000383774610 395187386 /nfs/dbraw/zinc/18/73/86/395187386.db2.gz RQYBNGNXROEFHH-SJORKVTESA-N 2 1 276.424 2.177 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000383774610 395187395 /nfs/dbraw/zinc/18/73/95/395187395.db2.gz RQYBNGNXROEFHH-SJORKVTESA-N 2 1 276.424 2.177 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000383774610 395187402 /nfs/dbraw/zinc/18/74/02/395187402.db2.gz RQYBNGNXROEFHH-SJORKVTESA-N 2 1 276.424 2.177 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)[C@H](C)C1 ZINC000433060647 395194929 /nfs/dbraw/zinc/19/49/29/395194929.db2.gz ZQECQYVBYCYQEV-CABCVRRESA-N 2 1 280.456 2.249 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000397288449 395220737 /nfs/dbraw/zinc/22/07/37/395220737.db2.gz VSGYVNANXNHEDZ-ZENOOKHLSA-N 2 1 290.407 2.278 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397317311 395222301 /nfs/dbraw/zinc/22/23/01/395222301.db2.gz RMWXLJQSKYIBDP-YHUYYLMFSA-N 2 1 295.471 2.083 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397317311 395222305 /nfs/dbraw/zinc/22/23/05/395222305.db2.gz RMWXLJQSKYIBDP-YHUYYLMFSA-N 2 1 295.471 2.083 20 0 CEADMP Cc1ccc2[nH+]ccc(N3CCC[N@@H+](CCO)CC3)c2c1 ZINC000185635334 395280769 /nfs/dbraw/zinc/28/07/69/395280769.db2.gz DQNYBSVIEPRYOE-UHFFFAOYSA-N 2 1 285.391 2.048 20 0 CEADMP CCc1nc(N2CCC[C@H](C)[C@H]2CC[NH3+])cc(C)[nH+]1 ZINC000404391867 395282267 /nfs/dbraw/zinc/28/22/67/395282267.db2.gz YJWIYFNXLVVGSA-WCQYABFASA-N 2 1 262.401 2.301 20 0 CEADMP Cc1ccccc1[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420323370 395325600 /nfs/dbraw/zinc/32/56/00/395325600.db2.gz TUFQTFOUIJWRKF-QGZVFWFLSA-N 2 1 273.424 2.037 20 0 CEADMP Cc1cnc([C@H](C)[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000420325536 395327712 /nfs/dbraw/zinc/32/77/12/395327712.db2.gz ISSHEKXFFWXDNS-IHRRRGAJSA-N 2 1 263.385 2.366 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353464215 395298109 /nfs/dbraw/zinc/29/81/09/395298109.db2.gz PVJOEUJUDTVDJR-VQHPVUNQSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353464215 395298114 /nfs/dbraw/zinc/29/81/14/395298114.db2.gz PVJOEUJUDTVDJR-VQHPVUNQSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353464215 395298118 /nfs/dbraw/zinc/29/81/18/395298118.db2.gz PVJOEUJUDTVDJR-VQHPVUNQSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1CCCN(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353464215 395298128 /nfs/dbraw/zinc/29/81/28/395298128.db2.gz PVJOEUJUDTVDJR-VQHPVUNQSA-N 2 1 279.472 2.181 20 0 CEADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353531146 395300459 /nfs/dbraw/zinc/30/04/59/395300459.db2.gz VCZCCLXYURSEGW-XUWVNRHRSA-N 2 1 268.445 2.246 20 0 CEADMP CCC1CCC([N@@H+](CCN2CC[NH2+]CC2)C2CC2)CC1 ZINC000420295492 395302544 /nfs/dbraw/zinc/30/25/44/395302544.db2.gz AROBBRNNMDABGT-UHFFFAOYSA-N 2 1 279.472 2.325 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000420324120 395327760 /nfs/dbraw/zinc/32/77/60/395327760.db2.gz ZENLJKJYJMUSRY-JQHSSLGASA-N 3 1 287.451 2.050 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420300618 395306460 /nfs/dbraw/zinc/30/64/60/395306460.db2.gz CULWBILLJFRFAZ-UWVGGRQHSA-N 2 1 273.302 2.270 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420300618 395306465 /nfs/dbraw/zinc/30/64/65/395306465.db2.gz CULWBILLJFRFAZ-UWVGGRQHSA-N 2 1 273.302 2.270 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CC(C)C)cc1 ZINC000420302318 395307159 /nfs/dbraw/zinc/30/71/59/395307159.db2.gz JPNMHPAMYSLKKN-AWEZNQCLSA-N 2 1 250.386 2.325 20 0 CEADMP OCC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000420303429 395307622 /nfs/dbraw/zinc/30/76/22/395307622.db2.gz NITVSVNIVYWVPL-CRAIPNDOSA-N 2 1 288.435 2.358 20 0 CEADMP C[C@H]1CCCN(C(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)C1 ZINC000420307710 395313145 /nfs/dbraw/zinc/31/31/45/395313145.db2.gz CDSDWJWDJCHBCP-HNNXBMFYSA-N 2 1 295.471 2.086 20 0 CEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1cccc(Cl)c1 ZINC000420317707 395319480 /nfs/dbraw/zinc/31/94/80/395319480.db2.gz NUEKGWRPMCXTDU-LBPRGKRZSA-N 2 1 295.814 2.210 20 0 CEADMP CCC[N@H+](CC(=O)N(CC(C)C)C(C)C)C1CC[NH2+]CC1 ZINC000420316241 395319811 /nfs/dbraw/zinc/31/98/11/395319811.db2.gz LYBQMYJRRXARHY-UHFFFAOYSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[N@@H+](CC(=O)N(CC(C)C)C(C)C)C1CC[NH2+]CC1 ZINC000420316241 395319815 /nfs/dbraw/zinc/31/98/15/395319815.db2.gz LYBQMYJRRXARHY-UHFFFAOYSA-N 2 1 297.487 2.343 20 0 CEADMP CCc1ccccc1NC(=O)C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420318731 395322454 /nfs/dbraw/zinc/32/24/54/395322454.db2.gz OQNYTBDOUIIISO-CQSZACIVSA-N 2 1 289.423 2.119 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000434688687 395323249 /nfs/dbraw/zinc/32/32/49/395323249.db2.gz ORUAFOOENJHQKP-SQWLQELKSA-N 2 1 289.423 2.066 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000401892938 395265341 /nfs/dbraw/zinc/26/53/41/395265341.db2.gz YVZFJNCXBWBFLK-ZDUSSCGKSA-N 2 1 273.380 2.192 20 0 CEADMP CC(C)[N@@H+](C)CCCNCc1cc(C(F)(F)F)n[nH]1 ZINC000440804977 395358882 /nfs/dbraw/zinc/35/88/82/395358882.db2.gz PAQLKXJHGNRXJQ-UHFFFAOYSA-N 2 1 278.322 2.248 20 0 CEADMP COCC[C@@H]1CCCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420376675 395362665 /nfs/dbraw/zinc/36/26/65/395362665.db2.gz QYIJAUAHPQUMJW-GJZGRUSLSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccccc1F ZINC000420379726 395363465 /nfs/dbraw/zinc/36/34/65/395363465.db2.gz YAMMLADDWZDTMQ-XHBSWPGZSA-N 2 1 293.386 2.130 20 0 CEADMP CC[N@H+](Cc1cc(O)cc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435370066 395365879 /nfs/dbraw/zinc/36/58/79/395365879.db2.gz HHYCMVUSUFVACZ-CQSZACIVSA-N 2 1 266.360 2.495 20 0 CEADMP CC[N@@H+](Cc1cc(O)cc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435370066 395365885 /nfs/dbraw/zinc/36/58/85/395365885.db2.gz HHYCMVUSUFVACZ-CQSZACIVSA-N 2 1 266.360 2.495 20 0 CEADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000420381980 395366263 /nfs/dbraw/zinc/36/62/63/395366263.db2.gz DAPJYEIRJIHZEB-QLFBSQMISA-N 2 1 254.418 2.252 20 0 CEADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000420416215 395375071 /nfs/dbraw/zinc/37/50/71/395375071.db2.gz VKMFKLQSYMQQPD-QWHCGFSZSA-N 2 1 293.386 2.071 20 0 CEADMP CC[N@H+](CC(=O)N(C)C1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435626858 395379808 /nfs/dbraw/zinc/37/98/08/395379808.db2.gz PSOFVRQYGAZNBS-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@@H+](CC(=O)N(C)C1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435626858 395379812 /nfs/dbraw/zinc/37/98/12/395379812.db2.gz PSOFVRQYGAZNBS-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H](c1cccnc1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330913 395331338 /nfs/dbraw/zinc/33/13/38/395331338.db2.gz QGPVMBJWGUNEJT-BMFZPTHFSA-N 2 1 259.397 2.464 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345293 395338334 /nfs/dbraw/zinc/33/83/34/395338334.db2.gz VSUFFNYIORPJAK-XHSDSOJGSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420353758 395340461 /nfs/dbraw/zinc/34/04/61/395340461.db2.gz BZWWJDJRKPTGRP-CYBMUJFWSA-N 2 1 260.385 2.106 20 0 CEADMP c1nn([C@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)c2ccccc12 ZINC000420359300 395346402 /nfs/dbraw/zinc/34/64/02/395346402.db2.gz KGYUTGYGDLPVQB-HOCLYGCPSA-N 2 1 284.407 2.283 20 0 CEADMP C[C@@H](C[N@@H+](C)CC[C@H]1CC[NH2+]C1)c1nccs1 ZINC000420359443 395346470 /nfs/dbraw/zinc/34/64/70/395346470.db2.gz KONUWBUYQXDZBZ-NWDGAFQWSA-N 2 1 253.415 2.178 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435130058 395351311 /nfs/dbraw/zinc/35/13/11/395351311.db2.gz PRULDTLKBLUOJO-ZDUSSCGKSA-N 2 1 288.395 2.443 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435130058 395351312 /nfs/dbraw/zinc/35/13/12/395351312.db2.gz PRULDTLKBLUOJO-ZDUSSCGKSA-N 2 1 288.395 2.443 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435130058 395351314 /nfs/dbraw/zinc/35/13/14/395351314.db2.gz PRULDTLKBLUOJO-ZDUSSCGKSA-N 2 1 288.395 2.443 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435130058 395351317 /nfs/dbraw/zinc/35/13/17/395351317.db2.gz PRULDTLKBLUOJO-ZDUSSCGKSA-N 2 1 288.395 2.443 20 0 CEADMP Cc1nc2sccn2c1C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420365570 395351614 /nfs/dbraw/zinc/35/16/14/395351614.db2.gz SHFQHVXSTORQOM-LBPRGKRZSA-N 2 1 278.425 2.136 20 0 CEADMP CCC[C@@]1(COC)CCC[N@H+]1CCn1ccnc1 ZINC000194945014 395454917 /nfs/dbraw/zinc/45/49/17/395454917.db2.gz DGONNXFHFJJXLN-AWEZNQCLSA-N 2 1 251.374 2.164 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000355319316 395409619 /nfs/dbraw/zinc/40/96/19/395409619.db2.gz GAGWOEBTEZNCSV-ZNMIVQPWSA-N 2 1 277.412 2.375 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000448022134 395506961 /nfs/dbraw/zinc/50/69/61/395506961.db2.gz MRSIDWVPLKXVGS-OAGGEKHMSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000448022134 395506964 /nfs/dbraw/zinc/50/69/64/395506964.db2.gz MRSIDWVPLKXVGS-OAGGEKHMSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000448022134 395506966 /nfs/dbraw/zinc/50/69/66/395506966.db2.gz MRSIDWVPLKXVGS-OAGGEKHMSA-N 2 1 279.472 2.323 20 0 CEADMP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000448022134 395506968 /nfs/dbraw/zinc/50/69/68/395506968.db2.gz MRSIDWVPLKXVGS-OAGGEKHMSA-N 2 1 279.472 2.323 20 0 CEADMP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000448022134 395506971 /nfs/dbraw/zinc/50/69/71/395506971.db2.gz MRSIDWVPLKXVGS-OAGGEKHMSA-N 2 1 279.472 2.323 20 0 CEADMP CS[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000448545864 395512848 /nfs/dbraw/zinc/51/28/48/395512848.db2.gz NULDASXOHSQRSX-CYBMUJFWSA-N 2 1 253.415 2.409 20 0 CEADMP CS[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000448545864 395512849 /nfs/dbraw/zinc/51/28/49/395512849.db2.gz NULDASXOHSQRSX-CYBMUJFWSA-N 2 1 253.415 2.409 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000567864279 395537320 /nfs/dbraw/zinc/53/73/20/395537320.db2.gz VXSNTTAQSVUGAV-CYBMUJFWSA-N 2 1 270.380 2.247 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000567864279 395537321 /nfs/dbraw/zinc/53/73/21/395537321.db2.gz VXSNTTAQSVUGAV-CYBMUJFWSA-N 2 1 270.380 2.247 20 0 CEADMP c1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCC[NH2+]C3)OCCO2 ZINC000567871066 395538035 /nfs/dbraw/zinc/53/80/35/395538035.db2.gz MZAIMMXKOBVROL-KRWDZBQOSA-N 2 1 288.391 2.033 20 0 CEADMP c1cc2c(cc1C[N@H+]1CC[C@@]3(C1)CCC[NH2+]C3)OCCO2 ZINC000567871066 395538037 /nfs/dbraw/zinc/53/80/37/395538037.db2.gz MZAIMMXKOBVROL-KRWDZBQOSA-N 2 1 288.391 2.033 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOCC1CCC1 ZINC000565710405 395481542 /nfs/dbraw/zinc/48/15/42/395481542.db2.gz MXNPNYIRZOZFLB-RHSMWYFYSA-N 2 1 276.424 2.351 20 0 CEADMP C[C@@H]1CN(CCCc2cncn2C)CC[N@H+](C2CCC2)C1 ZINC000565842388 395486695 /nfs/dbraw/zinc/48/66/95/395486695.db2.gz QYTSBFDJWXKEQM-OAHLLOKOSA-N 2 1 290.455 2.159 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC2(CCCC2)[C@@H]1C(C)C ZINC000569000646 395571643 /nfs/dbraw/zinc/57/16/43/395571643.db2.gz LZTTWYIXYSXURJ-GJZGRUSLSA-N 2 1 268.445 2.200 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC2(CCCC2)[C@@H]1C(C)C ZINC000569000646 395571644 /nfs/dbraw/zinc/57/16/44/395571644.db2.gz LZTTWYIXYSXURJ-GJZGRUSLSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC2(CCCC2)[C@@H]1C(C)C ZINC000569000646 395571647 /nfs/dbraw/zinc/57/16/47/395571647.db2.gz LZTTWYIXYSXURJ-GJZGRUSLSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC2(CCCC2)[C@@H]1C(C)C ZINC000569000646 395571648 /nfs/dbraw/zinc/57/16/48/395571648.db2.gz LZTTWYIXYSXURJ-GJZGRUSLSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)Oc1ccccc1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000569474813 395578949 /nfs/dbraw/zinc/57/89/49/395578949.db2.gz RLFJXHFDJFMRGG-MRXNPFEDSA-N 2 1 292.423 2.019 20 0 CEADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000451126787 395584085 /nfs/dbraw/zinc/58/40/85/395584085.db2.gz SEAKKUFDRUUFDI-ILXRZTDVSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000574327386 395628104 /nfs/dbraw/zinc/62/81/04/395628104.db2.gz KSPPFFWFCTUONU-JKSUJKDBSA-N 2 1 295.471 2.289 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000574509983 395631222 /nfs/dbraw/zinc/63/12/22/395631222.db2.gz OPGTVLDJBYAOSN-HNNXBMFYSA-N 2 1 287.411 2.051 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000574509983 395631223 /nfs/dbraw/zinc/63/12/23/395631223.db2.gz OPGTVLDJBYAOSN-HNNXBMFYSA-N 2 1 287.411 2.051 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cnc(-c3ccccc3)nc2)CC[NH2+]1 ZINC000574619870 395633396 /nfs/dbraw/zinc/63/33/96/395633396.db2.gz MNEIJNFSNJPBHF-CZUORRHYSA-N 2 1 282.391 2.374 20 0 CEADMP C[C@H](CC[NH2+]CC1(O)CCC1)[N@@H+](C)Cc1ccccc1 ZINC000574982852 395642694 /nfs/dbraw/zinc/64/26/94/395642694.db2.gz NZNHUONODRZYAF-OAHLLOKOSA-N 2 1 276.424 2.402 20 0 CEADMP c1cncc([C@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000575046827 395644881 /nfs/dbraw/zinc/64/48/81/395644881.db2.gz JCUSUNVFCDMXSH-ZBFHGGJFSA-N 2 1 259.397 2.261 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nccc2ccccc21 ZINC000647509221 395723672 /nfs/dbraw/zinc/72/36/72/395723672.db2.gz WGBAPZWQALSAKM-OLZOCXBDSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCCO1 ZINC000647344227 395706953 /nfs/dbraw/zinc/70/69/53/395706953.db2.gz MFVJTOFIMFZUJX-RANZSIQMSA-N 2 1 288.435 2.489 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000647509957 395724171 /nfs/dbraw/zinc/72/41/71/395724171.db2.gz KHKAXTAMIWJWAR-WBMJQRKESA-N 2 1 255.365 2.404 20 0 CEADMP COc1ccccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482997 395720265 /nfs/dbraw/zinc/72/02/65/395720265.db2.gz QHCWBIVZKWSPDV-UHFFFAOYSA-N 2 1 260.381 2.412 20 0 CEADMP COc1ccccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482997 395720267 /nfs/dbraw/zinc/72/02/67/395720267.db2.gz QHCWBIVZKWSPDV-UHFFFAOYSA-N 2 1 260.381 2.412 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000647493351 395721267 /nfs/dbraw/zinc/72/12/67/395721267.db2.gz HHXDIBZGUMMIAV-CQSZACIVSA-N 2 1 255.365 2.276 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccnn2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000647497299 395721812 /nfs/dbraw/zinc/72/18/12/395721812.db2.gz CCIHIXIEFCROFX-PBHICJAKSA-N 2 1 284.407 2.432 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccnn2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000647497299 395721814 /nfs/dbraw/zinc/72/18/14/395721814.db2.gz CCIHIXIEFCROFX-PBHICJAKSA-N 2 1 284.407 2.432 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000647496361 395721849 /nfs/dbraw/zinc/72/18/49/395721849.db2.gz YUWNXTZYDCAKCA-FZMZJTMJSA-N 2 1 288.395 2.158 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000647496361 395721851 /nfs/dbraw/zinc/72/18/51/395721851.db2.gz YUWNXTZYDCAKCA-FZMZJTMJSA-N 2 1 288.395 2.158 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3cnccc3c2)CC[C@@H]1[NH3+] ZINC000647496342 395721948 /nfs/dbraw/zinc/72/19/48/395721948.db2.gz VIXFLVPDCHPLEA-LRDDRELGSA-N 2 1 255.365 2.404 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c1C ZINC000647498745 395722119 /nfs/dbraw/zinc/72/21/19/395722119.db2.gz PHBBCXKIYLEKPG-GOEBONIOSA-N 2 1 278.444 2.469 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c1C ZINC000647498745 395722121 /nfs/dbraw/zinc/72/21/21/395722121.db2.gz PHBBCXKIYLEKPG-GOEBONIOSA-N 2 1 278.444 2.469 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cnc3c(C)cccn23)CC[C@H]1[NH3+] ZINC000647498295 395722124 /nfs/dbraw/zinc/72/21/24/395722124.db2.gz DPAYJKLNWWVOTP-DZGCQCFKSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cnc3c(C)cccn23)CC[C@H]1[NH3+] ZINC000647498295 395722125 /nfs/dbraw/zinc/72/21/25/395722125.db2.gz DPAYJKLNWWVOTP-DZGCQCFKSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc3c(c2)ncn3C)CC[C@@H]1[NH3+] ZINC000647498196 395722308 /nfs/dbraw/zinc/72/23/08/395722308.db2.gz CMVAHEGIHWXDSV-KGLIPLIRSA-N 2 1 272.396 2.133 20 0 CEADMP CC(C)([NH3+])C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000647513830 395724959 /nfs/dbraw/zinc/72/49/59/395724959.db2.gz IEEQXUAIFSEJGP-UHFFFAOYSA-N 3 1 267.461 2.312 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000647535660 395728699 /nfs/dbraw/zinc/72/86/99/395728699.db2.gz RSGZWBCUGANBEF-GFCCVEGCSA-N 2 1 276.359 2.034 20 0 CEADMP C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000647538130 395729282 /nfs/dbraw/zinc/72/92/82/395729282.db2.gz GTJWEJYWEHAQNR-CQSZACIVSA-N 2 1 291.414 2.336 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000647536699 395729350 /nfs/dbraw/zinc/72/93/50/395729350.db2.gz XNUNBLVOTJFTBC-MRXNPFEDSA-N 2 1 255.365 2.406 20 0 CEADMP CCc1nn(C)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543211 395730888 /nfs/dbraw/zinc/73/08/88/395730888.db2.gz JMGHHRIEILXAQH-HUUCEWRRSA-N 2 1 290.455 2.194 20 0 CEADMP c1ncc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647544144 395731274 /nfs/dbraw/zinc/73/12/74/395731274.db2.gz XILAFMJLGYZKKT-STQMWFEESA-N 2 1 265.426 2.355 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC([C@@H]4CC[NH2+]C4)CC3)c2c1C ZINC000647708567 395747266 /nfs/dbraw/zinc/74/72/66/395747266.db2.gz QFPKMXCAUJKCED-CQSZACIVSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647786509 395754250 /nfs/dbraw/zinc/75/42/50/395754250.db2.gz QXVOKFATPOAXAX-ZHCJQAHYSA-N 3 1 279.472 2.085 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647786509 395754251 /nfs/dbraw/zinc/75/42/51/395754251.db2.gz QXVOKFATPOAXAX-ZHCJQAHYSA-N 3 1 279.472 2.085 20 0 CEADMP c1n[nH]c2cc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc12 ZINC000647796495 395756717 /nfs/dbraw/zinc/75/67/17/395756717.db2.gz AZTNIYXSSOCYAR-VNQPRFMTSA-N 2 1 284.407 2.083 20 0 CEADMP FC(F)C(F)(F)COCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815016 395759839 /nfs/dbraw/zinc/75/98/39/395759839.db2.gz LERDHGTZBBOREX-UHFFFAOYSA-N 2 1 298.324 2.120 20 0 CEADMP C[N@@H+](CCC[NH3+])CCOc1ccc(Cl)c(F)c1 ZINC000647847385 395762809 /nfs/dbraw/zinc/76/28/09/395762809.db2.gz NOSGACHHTYCZHH-UHFFFAOYSA-N 2 1 260.740 2.139 20 0 CEADMP Cc1noc([C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000647881633 395768179 /nfs/dbraw/zinc/76/81/79/395768179.db2.gz WAEBRLZHXXTHBF-OAHLLOKOSA-N 2 1 292.427 2.337 20 0 CEADMP CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647882044 395768213 /nfs/dbraw/zinc/76/82/13/395768213.db2.gz FTGJIUYVTDXCEI-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)(C)C[N@@H+](CCO)CCCC1CC[NH2+]CC1 ZINC000647884390 395768531 /nfs/dbraw/zinc/76/85/31/395768531.db2.gz KEYKESBKNASPOQ-UHFFFAOYSA-N 2 1 256.434 2.107 20 0 CEADMP c1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc2c1OCO2 ZINC000647884454 395769466 /nfs/dbraw/zinc/76/94/66/395769466.db2.gz RNZZIUYKNYKCQZ-OCCSQVGLSA-N 2 1 274.364 2.162 20 0 CEADMP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@H](C(F)(F)F)O1 ZINC000647889506 395769715 /nfs/dbraw/zinc/76/97/15/395769715.db2.gz ZCSQBNHAKNQGGN-WCQYABFASA-N 2 1 294.361 2.418 20 0 CEADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H](C(F)(F)F)O1 ZINC000647889506 395769717 /nfs/dbraw/zinc/76/97/17/395769717.db2.gz ZCSQBNHAKNQGGN-WCQYABFASA-N 2 1 294.361 2.418 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3noc4c3CCCC4)C[C@H]21 ZINC000647907792 395771315 /nfs/dbraw/zinc/77/13/15/395771315.db2.gz VQNKUZDTNPVYDJ-IACUBPJLSA-N 2 1 275.396 2.113 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3noc4c3CCCC4)C[C@H]21 ZINC000647907792 395771318 /nfs/dbraw/zinc/77/13/18/395771318.db2.gz VQNKUZDTNPVYDJ-IACUBPJLSA-N 2 1 275.396 2.113 20 0 CEADMP CC[N@H+]1CC[C@@H](CNCc2nc3ccccc3nc2C)C1 ZINC000647925072 395775657 /nfs/dbraw/zinc/77/56/57/395775657.db2.gz JUJDOZMFZDGVSG-AWEZNQCLSA-N 2 1 284.407 2.370 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3ccccc3nc2C)C1 ZINC000647925072 395775659 /nfs/dbraw/zinc/77/56/59/395775659.db2.gz JUJDOZMFZDGVSG-AWEZNQCLSA-N 2 1 284.407 2.370 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2nc3ccccc3nc2C)C1 ZINC000647925072 395775664 /nfs/dbraw/zinc/77/56/64/395775664.db2.gz JUJDOZMFZDGVSG-AWEZNQCLSA-N 2 1 284.407 2.370 20 0 CEADMP CCc1noc([C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647976068 395793508 /nfs/dbraw/zinc/79/35/08/395793508.db2.gz JSMOVIONZUHCLO-MELADBBJSA-N 2 1 292.427 2.405 20 0 CEADMP COCC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978856 395794496 /nfs/dbraw/zinc/79/44/96/395794496.db2.gz ZLEMCBKWWSIVAJ-KKUMJFAQSA-N 2 1 254.418 2.123 20 0 CEADMP CCN1C[C@@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]1C ZINC000647989084 395796869 /nfs/dbraw/zinc/79/68/69/395796869.db2.gz GVKWJFANUDKGHY-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@@H+]1C[C@@H](C)N(CCCC2CC[NH2+]CC2)C[C@H]1C ZINC000647989084 395796870 /nfs/dbraw/zinc/79/68/70/395796870.db2.gz GVKWJFANUDKGHY-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(CCCC2CC[NH2+]CC2)C[C@H]1C ZINC000647989084 395796872 /nfs/dbraw/zinc/79/68/72/395796872.db2.gz GVKWJFANUDKGHY-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CCCC1CC[NH2+]CC1)CC[NH2+]CC2 ZINC000647995425 395798335 /nfs/dbraw/zinc/79/83/35/395798335.db2.gz WZXZQEGJELSWHV-HNNXBMFYSA-N 3 1 279.472 2.230 20 0 CEADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnns2)CC1 ZINC000649283990 396112745 /nfs/dbraw/zinc/11/27/45/396112745.db2.gz WQFPIXVDYRKHMD-UHFFFAOYSA-N 2 1 268.430 2.090 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnns2)CC1 ZINC000649283990 396112749 /nfs/dbraw/zinc/11/27/49/396112749.db2.gz WQFPIXVDYRKHMD-UHFFFAOYSA-N 2 1 268.430 2.090 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000649411889 396146465 /nfs/dbraw/zinc/14/64/65/396146465.db2.gz PJWSPZCSBUZREO-KRWDZBQOSA-N 2 1 279.472 2.326 20 0 CEADMP C(CC1CC[NH2+]CC1)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000649411889 396146467 /nfs/dbraw/zinc/14/64/67/396146467.db2.gz PJWSPZCSBUZREO-KRWDZBQOSA-N 2 1 279.472 2.326 20 0 CEADMP Cn1cc(C[C@@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)cn1 ZINC000649414169 396148430 /nfs/dbraw/zinc/14/84/30/396148430.db2.gz KHFTZFKCAYNWCV-INIZCTEOSA-N 2 1 290.455 2.064 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000649537876 396182047 /nfs/dbraw/zinc/18/20/47/396182047.db2.gz SOJUCDKOXHHPLJ-HZPDHXFCSA-N 2 1 265.445 2.031 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C[C@H]2CCC[NH+]2C)C1 ZINC000649549263 396185771 /nfs/dbraw/zinc/18/57/71/396185771.db2.gz ZZOYYITTWDFXCM-QZTJIDSGSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C[C@H]2CCC[N@@H+]2C)C1 ZINC000649549263 396185773 /nfs/dbraw/zinc/18/57/73/396185773.db2.gz ZZOYYITTWDFXCM-QZTJIDSGSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C[C@H]2CCC[N@H+]2C)C1 ZINC000649549263 396185777 /nfs/dbraw/zinc/18/57/77/396185777.db2.gz ZZOYYITTWDFXCM-QZTJIDSGSA-N 2 1 287.451 2.287 20 0 CEADMP Cc1cccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1F ZINC000649696253 396230412 /nfs/dbraw/zinc/23/04/12/396230412.db2.gz ICRPZUUZWWBDIL-UHFFFAOYSA-N 2 1 293.430 2.251 20 0 CEADMP C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1CCn1ccnc1 ZINC000646063846 396280971 /nfs/dbraw/zinc/28/09/71/396280971.db2.gz GRSWNHNAGZZIBM-CJNGLKHVSA-N 2 1 289.354 2.484 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CO1 ZINC000647171537 396428175 /nfs/dbraw/zinc/42/81/75/396428175.db2.gz MZJFJZZWHLUAMN-LXTVHRRPSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647180147 396431554 /nfs/dbraw/zinc/43/15/54/396431554.db2.gz IEMJGDUNGXYBMO-UHFFFAOYSA-N 2 1 289.414 2.182 20 0 CEADMP C[C@H]1OCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249139 396449654 /nfs/dbraw/zinc/44/96/54/396449654.db2.gz DPJLNEDXVZUPFQ-SIXLDLHFSA-N 2 1 274.408 2.099 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]C(C2CC2)C2CC2)CC1 ZINC000154466251 289145912 /nfs/dbraw/zinc/14/59/12/289145912.db2.gz YETBIMFKALALDZ-UHFFFAOYSA-N 2 1 279.472 2.182 20 0 CEADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917801 400121387 /nfs/dbraw/zinc/12/13/87/400121387.db2.gz PEZVXYYPXVKWOP-ZNMIVQPWSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCCCCC1 ZINC000386289172 400525697 /nfs/dbraw/zinc/52/56/97/400525697.db2.gz CJLMYBKKGIBIDF-OAHLLOKOSA-N 2 1 256.434 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CCCCCC1 ZINC000386289172 400525701 /nfs/dbraw/zinc/52/57/01/400525701.db2.gz CJLMYBKKGIBIDF-OAHLLOKOSA-N 2 1 256.434 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCCCCC1 ZINC000386289172 400525704 /nfs/dbraw/zinc/52/57/04/400525704.db2.gz CJLMYBKKGIBIDF-OAHLLOKOSA-N 2 1 256.434 2.342 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCCC[C@H]2O)CC1 ZINC000574360042 400606036 /nfs/dbraw/zinc/60/60/36/400606036.db2.gz VVSGTBXCZQGCPT-GDBMZVCRSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H](C)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707393 400998161 /nfs/dbraw/zinc/99/81/61/400998161.db2.gz FBNUWMXKMXROOE-ZQDZILKHSA-N 2 1 254.418 2.251 20 0 CEADMP Cc1ccc2ncc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)n2c1 ZINC000650709323 400999713 /nfs/dbraw/zinc/99/97/13/400999713.db2.gz RJSKALREQDFVNV-YOEHRIQHSA-N 2 1 284.407 2.204 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)n2c1 ZINC000650709323 400999716 /nfs/dbraw/zinc/99/97/16/400999716.db2.gz RJSKALREQDFVNV-YOEHRIQHSA-N 2 1 284.407 2.204 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650711622 401001469 /nfs/dbraw/zinc/00/14/69/401001469.db2.gz ZOENPCBAEDIZBN-GUYCJALGSA-N 2 1 292.471 2.494 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cn1 ZINC000650711697 401001485 /nfs/dbraw/zinc/00/14/85/401001485.db2.gz AJHHKHKDHSNSQS-GDBMZVCRSA-N 2 1 290.455 2.487 20 0 CEADMP [NH3+]CC1(CC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000650712559 401003028 /nfs/dbraw/zinc/00/30/28/401003028.db2.gz KIQVXSHLVHCVNF-UHFFFAOYSA-N 2 1 270.380 2.295 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2ccc(C[NH3+])cc2F)[C@@H](C)C1 ZINC000650717982 401008566 /nfs/dbraw/zinc/00/85/66/401008566.db2.gz SVYSZNNRWZLRDU-BLLLJJGKSA-N 2 1 279.403 2.104 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCCC[N@H+](C)CC(C)C ZINC000650740780 401015644 /nfs/dbraw/zinc/01/56/44/401015644.db2.gz QZMNBDVPAIVTGV-AWEZNQCLSA-N 2 1 292.471 2.477 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000650740780 401015653 /nfs/dbraw/zinc/01/56/53/401015653.db2.gz QZMNBDVPAIVTGV-AWEZNQCLSA-N 3 1 292.471 2.477 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000650740780 401015657 /nfs/dbraw/zinc/01/56/57/401015657.db2.gz QZMNBDVPAIVTGV-AWEZNQCLSA-N 3 1 292.471 2.477 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1c[nH+]ccc1N ZINC000650747601 401024811 /nfs/dbraw/zinc/02/48/11/401024811.db2.gz DCXSSFHZBGTUNI-YPMHNXCESA-N 2 1 268.364 2.182 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000650756021 401033031 /nfs/dbraw/zinc/03/30/31/401033031.db2.gz RSVYGNJAZNSIHS-KXBFYZLASA-N 3 1 297.446 2.454 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000650756021 401033038 /nfs/dbraw/zinc/03/30/38/401033038.db2.gz RSVYGNJAZNSIHS-KXBFYZLASA-N 2 1 297.446 2.454 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2(OC)CCCC2)C1 ZINC000359977654 155184747 /nfs/dbraw/zinc/18/47/47/155184747.db2.gz TYGLEXIEMCRYSQ-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)C1CC1 ZINC000360034593 155198189 /nfs/dbraw/zinc/19/81/89/155198189.db2.gz DQKLTOQJMWRLAK-AWEZNQCLSA-N 2 1 273.424 2.477 20 0 CEADMP C[C@@H]1CCCCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000651707126 401375061 /nfs/dbraw/zinc/37/50/61/401375061.db2.gz ZVRAFFXTEBDSBT-OAGGEKHMSA-N 2 1 295.471 2.132 20 0 CEADMP CNC(=O)c1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)cc1 ZINC000651866982 401407091 /nfs/dbraw/zinc/40/70/91/401407091.db2.gz XSIBTFODMGTJFJ-UHFFFAOYSA-N 2 1 291.439 2.114 20 0 CEADMP CNC(=O)c1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)cc1 ZINC000651866982 401407092 /nfs/dbraw/zinc/40/70/92/401407092.db2.gz XSIBTFODMGTJFJ-UHFFFAOYSA-N 2 1 291.439 2.114 20 0 CEADMP CC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)[C@H]1CCOC1 ZINC000652222460 401466596 /nfs/dbraw/zinc/46/65/96/401466596.db2.gz PCNOBUUGCAEXIV-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)oc1C ZINC000652348409 401491258 /nfs/dbraw/zinc/49/12/58/401491258.db2.gz CRNCDNZZKYSUKT-RRFJBIMHSA-N 2 1 293.411 2.010 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCc2ccc(F)cc21 ZINC000652363851 401495107 /nfs/dbraw/zinc/49/51/07/401495107.db2.gz PPAURPQLLFNYBO-QWHCGFSZSA-N 2 1 262.372 2.397 20 0 CEADMP CCc1cnc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)o1 ZINC000652364061 401495272 /nfs/dbraw/zinc/49/52/72/401495272.db2.gz WHAMCMWOOUFVSX-YUELXQCFSA-N 2 1 293.411 2.098 20 0 CEADMP CCc1cnc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)o1 ZINC000652364061 401495276 /nfs/dbraw/zinc/49/52/76/401495276.db2.gz WHAMCMWOOUFVSX-YUELXQCFSA-N 2 1 293.411 2.098 20 0 CEADMP CC(C)c1cc(N2CCC([NH+](C)C)CC2)nc(N(C)C)[nH+]1 ZINC000360225613 155245808 /nfs/dbraw/zinc/24/58/08/155245808.db2.gz RHLHHIHFBHWXJS-UHFFFAOYSA-N 2 1 291.443 2.196 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)C1CCOCC1 ZINC000360241089 155251635 /nfs/dbraw/zinc/25/16/35/155251635.db2.gz YMKLDMACBJYPJL-HNNXBMFYSA-N 2 1 254.418 2.266 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1(C)C ZINC000361806409 286172337 /nfs/dbraw/zinc/17/23/37/286172337.db2.gz HUBJBGWGNSLSLY-SFDCQRBFSA-N 2 1 254.418 2.120 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1(C)C ZINC000361806409 286172338 /nfs/dbraw/zinc/17/23/38/286172338.db2.gz HUBJBGWGNSLSLY-SFDCQRBFSA-N 2 1 254.418 2.120 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1(C)C ZINC000361806410 286172722 /nfs/dbraw/zinc/17/27/22/286172722.db2.gz HUBJBGWGNSLSLY-UKTARXLSSA-N 2 1 254.418 2.120 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1(C)C ZINC000361806410 286172723 /nfs/dbraw/zinc/17/27/23/286172723.db2.gz HUBJBGWGNSLSLY-UKTARXLSSA-N 2 1 254.418 2.120 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C1(C)C ZINC000178974716 286246125 /nfs/dbraw/zinc/24/61/25/286246125.db2.gz MVMDRQQCDNFEET-ZIAGYGMSSA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC2CCCC2)C1 ZINC000190639303 153136185 /nfs/dbraw/zinc/13/61/85/153136185.db2.gz JXXCJFQHXULHSS-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000190639303 153136189 /nfs/dbraw/zinc/13/61/89/153136189.db2.gz JXXCJFQHXULHSS-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000190639303 153136194 /nfs/dbraw/zinc/13/61/94/153136194.db2.gz JXXCJFQHXULHSS-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP COCCC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000230896904 292281987 /nfs/dbraw/zinc/28/19/87/292281987.db2.gz YPTJZYKNJGRINP-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH+](C)CCCC1CC[NH+](Cc2ncccn2)CC1 ZINC000192140727 153202352 /nfs/dbraw/zinc/20/23/52/153202352.db2.gz GIJZSYLCVIEDTN-UHFFFAOYSA-N 2 1 262.401 2.030 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000223216861 153317067 /nfs/dbraw/zinc/31/70/67/153317067.db2.gz FQVSULQDBLFSKT-KBRIMQKVSA-N 2 1 292.398 2.210 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000223216861 153317069 /nfs/dbraw/zinc/31/70/69/153317069.db2.gz FQVSULQDBLFSKT-KBRIMQKVSA-N 2 1 292.398 2.210 20 0 CEADMP Clc1cnc(CNCCCn2ccnc2)s1 ZINC000225294352 153327262 /nfs/dbraw/zinc/32/72/62/153327262.db2.gz SOJMPQYPHHXYDM-UHFFFAOYSA-N 2 1 256.762 2.173 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226329063 153330023 /nfs/dbraw/zinc/33/00/23/153330023.db2.gz REVIZLMOZRBYKK-HOTGVXAUSA-N 2 1 297.487 2.378 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261924886 153873255 /nfs/dbraw/zinc/87/32/55/153873255.db2.gz ZAWSDQYXBPYKQV-MRXNPFEDSA-N 2 1 278.444 2.426 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261924886 153873262 /nfs/dbraw/zinc/87/32/62/153873262.db2.gz ZAWSDQYXBPYKQV-MRXNPFEDSA-N 2 1 278.444 2.426 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC000346814491 154298068 /nfs/dbraw/zinc/29/80/68/154298068.db2.gz BYUFCDUHXOISJV-AWEZNQCLSA-N 2 1 293.459 2.320 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC000346814491 154298070 /nfs/dbraw/zinc/29/80/70/154298070.db2.gz BYUFCDUHXOISJV-AWEZNQCLSA-N 2 1 293.459 2.320 20 0 CEADMP c1ccc(CCOCCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357083901 154376436 /nfs/dbraw/zinc/37/64/36/154376436.db2.gz IWDJBAFUXLTEPJ-ZWKOTPCHSA-N 2 1 288.435 2.177 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000357083407 154377012 /nfs/dbraw/zinc/37/70/12/154377012.db2.gz YQYPAWXMKAQVBJ-CQSZACIVSA-N 2 1 268.788 2.452 20 0 CEADMP [NH3+]CCOCC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000357080744 154377299 /nfs/dbraw/zinc/37/72/99/154377299.db2.gz VADAYFYOHSIDKV-AWEZNQCLSA-N 2 1 280.437 2.076 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357080462 154379360 /nfs/dbraw/zinc/37/93/60/154379360.db2.gz MUFZVDFIZIPDQE-LSDHHAIUSA-N 2 1 290.407 2.005 20 0 CEADMP CC(C)COc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359456468 155020030 /nfs/dbraw/zinc/02/00/30/155020030.db2.gz GOCLOUVSAZJYSS-IYBDPMFKSA-N 2 1 274.408 2.373 20 0 CEADMP CC(C)COc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359456468 155020034 /nfs/dbraw/zinc/02/00/34/155020034.db2.gz GOCLOUVSAZJYSS-IYBDPMFKSA-N 2 1 274.408 2.373 20 0 CEADMP CCCCOC(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363559556 156028933 /nfs/dbraw/zinc/02/89/33/156028933.db2.gz FOPAGQXNZOZZKP-OAGGEKHMSA-N 2 1 294.439 2.136 20 0 CEADMP CCCCOC(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363559556 156028936 /nfs/dbraw/zinc/02/89/36/156028936.db2.gz FOPAGQXNZOZZKP-OAGGEKHMSA-N 2 1 294.439 2.136 20 0 CEADMP CCCCOC(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363559556 156028938 /nfs/dbraw/zinc/02/89/38/156028938.db2.gz FOPAGQXNZOZZKP-OAGGEKHMSA-N 2 1 294.439 2.136 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCO[C@H]3CCCCO3)C2)CC1 ZINC000366867793 156096917 /nfs/dbraw/zinc/09/69/17/156096917.db2.gz VXVAZVZBLRUTQE-INIZCTEOSA-N 2 1 296.455 2.337 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367599567 156213976 /nfs/dbraw/zinc/21/39/76/156213976.db2.gz WLWBFTIHVPSWLG-BDXSIMOUSA-N 2 1 288.435 2.491 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccsc2)[C@@H]2CCC[C@@H]21 ZINC000367611622 156214447 /nfs/dbraw/zinc/21/44/47/156214447.db2.gz CIVSJMYXVHIPJF-AJNGGQMLSA-N 2 1 280.437 2.244 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368313526 156317832 /nfs/dbraw/zinc/31/78/32/156317832.db2.gz DDTIHCIPIILSRN-DLBZAZTESA-N 2 1 292.398 2.195 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368313526 156317835 /nfs/dbraw/zinc/31/78/35/156317835.db2.gz DDTIHCIPIILSRN-DLBZAZTESA-N 2 1 292.398 2.195 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368313526 156317839 /nfs/dbraw/zinc/31/78/39/156317839.db2.gz DDTIHCIPIILSRN-DLBZAZTESA-N 2 1 292.398 2.195 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368313526 156317842 /nfs/dbraw/zinc/31/78/42/156317842.db2.gz DDTIHCIPIILSRN-DLBZAZTESA-N 2 1 292.398 2.195 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368313528 156318896 /nfs/dbraw/zinc/31/88/96/156318896.db2.gz DDTIHCIPIILSRN-IRXDYDNUSA-N 2 1 292.398 2.195 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368313528 156318901 /nfs/dbraw/zinc/31/89/01/156318901.db2.gz DDTIHCIPIILSRN-IRXDYDNUSA-N 2 1 292.398 2.195 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368313528 156318905 /nfs/dbraw/zinc/31/89/05/156318905.db2.gz DDTIHCIPIILSRN-IRXDYDNUSA-N 2 1 292.398 2.195 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368313528 156318913 /nfs/dbraw/zinc/31/89/13/156318913.db2.gz DDTIHCIPIILSRN-IRXDYDNUSA-N 2 1 292.398 2.195 20 0 CEADMP CC(C)SCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000368485611 156353681 /nfs/dbraw/zinc/35/36/81/156353681.db2.gz WUTSCLLRTSILHB-RBSFLKMASA-N 2 1 286.485 2.312 20 0 CEADMP CCC[C@@]1(CO)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000368586369 156367444 /nfs/dbraw/zinc/36/74/44/156367444.db2.gz XSJIXJZPZXJRTA-MRXNPFEDSA-N 2 1 268.445 2.347 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000370746625 156608689 /nfs/dbraw/zinc/60/86/89/156608689.db2.gz FUUSIMZTKRPCHA-LSDHHAIUSA-N 2 1 299.422 2.282 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1(C)C ZINC000530222206 298056511 /nfs/dbraw/zinc/05/65/11/298056511.db2.gz QXXVGORTEGNJKU-RWMBFGLXSA-N 2 1 252.402 2.064 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163809704 162334543 /nfs/dbraw/zinc/33/45/43/162334543.db2.gz XJVKNXVIQSOVIW-JYJNAYRXSA-N 2 1 297.487 2.234 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163809704 162334548 /nfs/dbraw/zinc/33/45/48/162334548.db2.gz XJVKNXVIQSOVIW-JYJNAYRXSA-N 2 1 297.487 2.234 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccnn1C ZINC000192250371 287034617 /nfs/dbraw/zinc/03/46/17/287034617.db2.gz WIVLNHSTNLEVTR-UONOGXRCSA-N 2 1 264.417 2.193 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CC1 ZINC000177233309 165188072 /nfs/dbraw/zinc/18/80/72/165188072.db2.gz KHPCYRLTUBSPDN-OAHLLOKOSA-N 2 1 287.451 2.322 20 0 CEADMP CC(C)[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)[NH+]1CCCC1 ZINC000020200879 171064778 /nfs/dbraw/zinc/06/47/78/171064778.db2.gz KBWATVDDBLJESO-MRXNPFEDSA-N 2 1 296.455 2.382 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000235242667 287267642 /nfs/dbraw/zinc/26/76/42/287267642.db2.gz RVCQEPKFDOTORH-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC)c1 ZINC000040746539 174391287 /nfs/dbraw/zinc/39/12/87/174391287.db2.gz GEYBLESDWMDETH-YIONKMFJSA-N 2 1 290.407 2.419 20 0 CEADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC)c1 ZINC000040746539 174391288 /nfs/dbraw/zinc/39/12/88/174391288.db2.gz GEYBLESDWMDETH-YIONKMFJSA-N 2 1 290.407 2.419 20 0 CEADMP COc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000040746543 174391436 /nfs/dbraw/zinc/39/14/36/174391436.db2.gz AMVRADLEZZOPAQ-YIONKMFJSA-N 2 1 260.381 2.410 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@@H](CC)CO1 ZINC000403788016 414766855 /nfs/dbraw/zinc/76/68/55/414766855.db2.gz HTSIDPSVJPZVEV-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CCO1 ZINC000070359414 414771381 /nfs/dbraw/zinc/77/13/81/414771381.db2.gz SFASATPXHGOJJT-RRFJBIMHSA-N 2 1 254.418 2.264 20 0 CEADMP CCO[C@@H]1C[N@@H+](C[C@H]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000405297196 414792372 /nfs/dbraw/zinc/79/23/72/414792372.db2.gz LLLXBZFLDPPTAH-GBJTYRQASA-N 2 1 254.418 2.108 20 0 CEADMP CCO[C@@H]1C[N@H+]([C@H](C)c2cccc(OC)c2)C[C@H]1C[NH3+] ZINC000405415996 414792922 /nfs/dbraw/zinc/79/29/22/414792922.db2.gz BWOZVUOCLZWYQG-XNRPHZJLSA-N 2 1 278.396 2.052 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cc(C)ccc2C)C[C@H]1C[NH3+] ZINC000405724782 414795612 /nfs/dbraw/zinc/79/56/12/414795612.db2.gz VGFKFIDIHAOLGL-HZPDHXFCSA-N 2 1 262.397 2.099 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000660415154 414809676 /nfs/dbraw/zinc/80/96/76/414809676.db2.gz ALCWWSPWIQUJSC-BBWFWOEESA-N 2 1 281.488 2.380 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C[NH2+]C)cc1)C(C)C ZINC000662966584 414813638 /nfs/dbraw/zinc/81/36/38/414813638.db2.gz SMOZNSLAXBSWTC-CQSZACIVSA-N 2 1 291.439 2.255 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657311431 414850663 /nfs/dbraw/zinc/85/06/63/414850663.db2.gz KETZHHUOZVBHII-OAHLLOKOSA-N 2 1 290.455 2.431 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CNCc2cnc3n2CCC3)C1 ZINC000657414018 414920213 /nfs/dbraw/zinc/92/02/13/414920213.db2.gz SQCXNCHOMFLQGK-HNNXBMFYSA-N 2 1 290.455 2.287 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657414018 414920219 /nfs/dbraw/zinc/92/02/19/414920219.db2.gz SQCXNCHOMFLQGK-HNNXBMFYSA-N 3 1 290.455 2.287 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657414018 414920223 /nfs/dbraw/zinc/92/02/23/414920223.db2.gz SQCXNCHOMFLQGK-HNNXBMFYSA-N 3 1 290.455 2.287 20 0 CEADMP CCC(C)(C)NC(=O)[C@@H](C)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655392 414920330 /nfs/dbraw/zinc/92/03/30/414920330.db2.gz LYIWUIPGABKZPU-PBHICJAKSA-N 2 1 295.471 2.097 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660659938 414920666 /nfs/dbraw/zinc/92/06/66/414920666.db2.gz TWWCYTOHHLBLAY-KRWDZBQOSA-N 2 1 289.423 2.316 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660659938 414920670 /nfs/dbraw/zinc/92/06/70/414920670.db2.gz TWWCYTOHHLBLAY-KRWDZBQOSA-N 2 1 289.423 2.316 20 0 CEADMP c1ncc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663346201 414923701 /nfs/dbraw/zinc/92/37/01/414923701.db2.gz QJDCJOHWFJBATO-CYBMUJFWSA-N 2 1 265.426 2.355 20 0 CEADMP c1ncc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663346201 414923703 /nfs/dbraw/zinc/92/37/03/414923703.db2.gz QJDCJOHWFJBATO-CYBMUJFWSA-N 2 1 265.426 2.355 20 0 CEADMP Cc1cnc([C@H](C)N2CCC[C@]3(CC[N@@H+](C)C3)C2)o1 ZINC000660662646 414925692 /nfs/dbraw/zinc/92/56/92/414925692.db2.gz KILQZQMMBQYVFJ-DZGCQCFKSA-N 2 1 263.385 2.462 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC[C@@H]1CCOC1)C2 ZINC000660664158 414926350 /nfs/dbraw/zinc/92/63/50/414926350.db2.gz QGPXWFDWVTUZFQ-CVEARBPZSA-N 2 1 266.429 2.221 20 0 CEADMP COc1ccncc1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665892 414927692 /nfs/dbraw/zinc/92/76/92/414927692.db2.gz YWJGRYHIXUFGCN-MRXNPFEDSA-N 2 1 275.396 2.008 20 0 CEADMP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000663371243 414931695 /nfs/dbraw/zinc/93/16/95/414931695.db2.gz ZRPYODFGJMGQQH-CJNGLKHVSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CCCCC1 ZINC000663371243 414931700 /nfs/dbraw/zinc/93/17/00/414931700.db2.gz ZRPYODFGJMGQQH-CJNGLKHVSA-N 2 1 268.445 2.248 20 0 CEADMP CCN1CC[NH+](CCNc2cc(C)[nH+]c3ccccc23)CC1 ZINC000663385777 414936859 /nfs/dbraw/zinc/93/68/59/414936859.db2.gz LZZMEWOFOBIEMD-UHFFFAOYSA-N 2 1 298.434 2.015 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC000660690853 414936844 /nfs/dbraw/zinc/93/68/44/414936844.db2.gz CWNUUJZFUCHQOL-ZIAGYGMSSA-N 2 1 258.450 2.492 20 0 CEADMP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000660695553 414936867 /nfs/dbraw/zinc/93/68/67/414936867.db2.gz RLEXGQVKTASEGT-HNNXBMFYSA-N 2 1 266.429 2.168 20 0 CEADMP CCN1CC[NH+]([C@H](C)CNc2[nH+]ccc3[nH]ccc32)CC1 ZINC000663389465 414939535 /nfs/dbraw/zinc/93/95/35/414939535.db2.gz PXXUVXMVLCHXQI-CYBMUJFWSA-N 2 1 287.411 2.001 20 0 CEADMP COCc1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000657376565 414897694 /nfs/dbraw/zinc/89/76/94/414897694.db2.gz SEPRPHPDSHNBRQ-DGCLKSJQSA-N 2 1 268.426 2.467 20 0 CEADMP COCc1csc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000657376565 414897697 /nfs/dbraw/zinc/89/76/97/414897697.db2.gz SEPRPHPDSHNBRQ-DGCLKSJQSA-N 2 1 268.426 2.467 20 0 CEADMP CCC[N@@H+](CC)CCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657385198 414902168 /nfs/dbraw/zinc/90/21/68/414902168.db2.gz ZOLZWLFUWFMYPJ-UHFFFAOYSA-N 2 1 287.411 2.089 20 0 CEADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000663512126 414979202 /nfs/dbraw/zinc/97/92/02/414979202.db2.gz FMIWFPXBCNHWNQ-QWHCGFSZSA-N 2 1 250.386 2.214 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000660829270 414993925 /nfs/dbraw/zinc/99/39/25/414993925.db2.gz CHFJSBUBPGTTFE-QWHCGFSZSA-N 2 1 296.377 2.352 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C2CCCC2)C1 ZINC000660833446 414995660 /nfs/dbraw/zinc/99/56/60/414995660.db2.gz RQTAIRMIOYLWIO-HOTGVXAUSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000657563992 415002273 /nfs/dbraw/zinc/00/22/73/415002273.db2.gz RILGVIVXSSTDAP-ILXRZTDVSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000657563992 415002277 /nfs/dbraw/zinc/00/22/77/415002277.db2.gz RILGVIVXSSTDAP-ILXRZTDVSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000657563992 415002281 /nfs/dbraw/zinc/00/22/81/415002281.db2.gz RILGVIVXSSTDAP-ILXRZTDVSA-N 2 1 265.445 2.076 20 0 CEADMP Cc1cc(CO)cc(N[C@H](C)C(C)(C)C[NH+](C)C)[nH+]1 ZINC000663660472 415007838 /nfs/dbraw/zinc/00/78/38/415007838.db2.gz HLNCXDXBTPIABY-GFCCVEGCSA-N 2 1 265.401 2.271 20 0 CEADMP CC[C@@H](C)C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657595269 415016412 /nfs/dbraw/zinc/01/64/12/415016412.db2.gz GCCWSWXRGONZRZ-PBHICJAKSA-N 2 1 276.424 2.389 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000660755356 414959664 /nfs/dbraw/zinc/95/96/64/414959664.db2.gz KBUCWJQAUCTBDE-BPKGMFCQSA-N 2 1 280.456 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000660755356 414959667 /nfs/dbraw/zinc/95/96/67/414959667.db2.gz KBUCWJQAUCTBDE-BPKGMFCQSA-N 2 1 280.456 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000660755356 414959670 /nfs/dbraw/zinc/95/96/70/414959670.db2.gz KBUCWJQAUCTBDE-BPKGMFCQSA-N 2 1 280.456 2.056 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCCO1 ZINC000663466896 414961808 /nfs/dbraw/zinc/96/18/08/414961808.db2.gz YGBWGBIRMFNVKY-BPUTZDHNSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000660757634 414961980 /nfs/dbraw/zinc/96/19/80/414961980.db2.gz IHEPIVMHEXZJTG-QKPAOTATSA-N 2 1 270.461 2.492 20 0 CEADMP OCC1([N@@H+](CCC[NH+]2CCCCC2)C2CC2)CCC1 ZINC000660771006 414967173 /nfs/dbraw/zinc/96/71/73/414967173.db2.gz MREJARHDWPOCCE-UHFFFAOYSA-N 2 1 266.429 2.242 20 0 CEADMP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657789811 415079191 /nfs/dbraw/zinc/07/91/91/415079191.db2.gz KMPFXLAIXHHRPY-MSOLQXFVSA-N 2 1 288.435 2.461 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)CC1 ZINC000657791614 415080992 /nfs/dbraw/zinc/08/09/92/415080992.db2.gz UCVXSYRZPZTXCT-ARFHVFGLSA-N 2 1 260.356 2.148 20 0 CEADMP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000657795633 415084099 /nfs/dbraw/zinc/08/40/99/415084099.db2.gz MHYGFUHOQABPMO-KBXCAEBGSA-N 2 1 299.418 2.402 20 0 CEADMP CCO[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@@H]1C ZINC000653747883 415091837 /nfs/dbraw/zinc/09/18/37/415091837.db2.gz NZOSTIDRUHYCJR-ZFWWWQNUSA-N 2 1 265.401 2.100 20 0 CEADMP CCO[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C[C@@H]1C ZINC000653747883 415091840 /nfs/dbraw/zinc/09/18/40/415091840.db2.gz NZOSTIDRUHYCJR-ZFWWWQNUSA-N 2 1 265.401 2.100 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCC1CCC1)CCO2 ZINC000660902786 415027638 /nfs/dbraw/zinc/02/76/38/415027638.db2.gz GWSABFPUSIXJLV-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](COC)CC2CCOCC2)C1 ZINC000657845332 415103765 /nfs/dbraw/zinc/10/37/65/415103765.db2.gz NEOXLNITLPSNIC-DLBZAZTESA-N 2 1 298.471 2.140 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](COC)CC2CCOCC2)C1 ZINC000657861734 415106774 /nfs/dbraw/zinc/10/67/74/415106774.db2.gz KULVIJBQQLTWMI-SJORKVTESA-N 2 1 298.471 2.140 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCn2nccc21 ZINC000657869730 415108959 /nfs/dbraw/zinc/10/89/59/415108959.db2.gz LFHJXTKQYNRANI-TZMCWYRMSA-N 2 1 273.384 2.149 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCn2nccc21 ZINC000657892230 415117099 /nfs/dbraw/zinc/11/70/99/415117099.db2.gz XAQBEHDAOPAEGM-CQSZACIVSA-N 2 1 273.384 2.293 20 0 CEADMP COC1CC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000658062105 415181608 /nfs/dbraw/zinc/18/16/08/415181608.db2.gz XZJVSBUACRWSLS-KDQUWOQTSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)cc1Cl ZINC000044513574 175188645 /nfs/dbraw/zinc/18/86/45/175188645.db2.gz MZBLCKGSXAFKON-UHFFFAOYSA-N 2 1 295.814 2.258 20 0 CEADMP CC[C@@H](COCC1CC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658089617 415203006 /nfs/dbraw/zinc/20/30/06/415203006.db2.gz AITILNXKBSUFID-AWEZNQCLSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H](CCNc1cc[nH+]c(N2CCCCC2)n1)[NH+](C)C ZINC000664243328 415240394 /nfs/dbraw/zinc/24/03/94/415240394.db2.gz KRUSAQZUWUYLMM-CYBMUJFWSA-N 2 1 277.416 2.219 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(F)F)[C@H]2CCC[C@H]21 ZINC000658222490 415262786 /nfs/dbraw/zinc/26/27/86/415262786.db2.gz OTFLVRAPHIVOEE-XQHKEYJVSA-N 2 1 258.356 2.494 20 0 CEADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000658229737 415265168 /nfs/dbraw/zinc/26/51/68/415265168.db2.gz TZGRFZHEXFAULL-RVKKMQEKSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000658229737 415265173 /nfs/dbraw/zinc/26/51/73/415265173.db2.gz TZGRFZHEXFAULL-RVKKMQEKSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229737 415265176 /nfs/dbraw/zinc/26/51/76/415265176.db2.gz TZGRFZHEXFAULL-RVKKMQEKSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229737 415265180 /nfs/dbraw/zinc/26/51/80/415265180.db2.gz TZGRFZHEXFAULL-RVKKMQEKSA-N 2 1 291.483 2.466 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000661498968 415293577 /nfs/dbraw/zinc/29/35/77/415293577.db2.gz NONKPXKDPLBGIB-GOEBONIOSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C)[C@H]1CCO ZINC000661498968 415293584 /nfs/dbraw/zinc/29/35/84/415293584.db2.gz NONKPXKDPLBGIB-GOEBONIOSA-N 2 1 279.428 2.455 20 0 CEADMP C1=C(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000658291452 415299773 /nfs/dbraw/zinc/29/97/73/415299773.db2.gz PHWCSXOYYMEVIO-MRXNPFEDSA-N 2 1 264.413 2.330 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)CS1 ZINC000655717151 415409435 /nfs/dbraw/zinc/40/94/35/415409435.db2.gz VTVYGEABKUOCPD-GDBMZVCRSA-N 2 1 299.528 2.134 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCCS1 ZINC000655723551 415410434 /nfs/dbraw/zinc/41/04/34/415410434.db2.gz POZWNTOETKIGJZ-CABCVRRESA-N 2 1 284.469 2.115 20 0 CEADMP FC(F)(F)CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655722203 415412144 /nfs/dbraw/zinc/41/21/44/415412144.db2.gz ZHNPCZTYAQMOJL-GFCCVEGCSA-N 2 1 280.334 2.172 20 0 CEADMP C(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC1CC1 ZINC000655730438 415419018 /nfs/dbraw/zinc/41/90/18/415419018.db2.gz SJIPWKBUSXNAGY-OAHLLOKOSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1[nH+]ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1Cl ZINC000664600666 415420929 /nfs/dbraw/zinc/42/09/29/415420929.db2.gz WKLUVPQCKDMWCM-ZDUSSCGKSA-N 2 1 295.814 2.079 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@](O)(C2CC2)C1 ZINC000661630885 415368489 /nfs/dbraw/zinc/36/84/89/415368489.db2.gz DDTWVWPZEFXHKQ-CVEARBPZSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661630885 415368499 /nfs/dbraw/zinc/36/84/99/415368499.db2.gz DDTWVWPZEFXHKQ-CVEARBPZSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661630885 415368506 /nfs/dbraw/zinc/36/85/06/415368506.db2.gz DDTWVWPZEFXHKQ-CVEARBPZSA-N 2 1 266.429 2.098 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CS1 ZINC000655691586 415390278 /nfs/dbraw/zinc/39/02/78/415390278.db2.gz VXILKHUULBIXCH-RFGFWPKPSA-N 2 1 254.443 2.487 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CS1 ZINC000655691586 415390281 /nfs/dbraw/zinc/39/02/81/415390281.db2.gz VXILKHUULBIXCH-RFGFWPKPSA-N 2 1 254.443 2.487 20 0 CEADMP C[C@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000659291248 415493144 /nfs/dbraw/zinc/49/31/44/415493144.db2.gz FKKPWJUSHPWFDS-ZIAGYGMSSA-N 2 1 293.455 2.027 20 0 CEADMP C(COCC1CCC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655754545 415437799 /nfs/dbraw/zinc/43/77/99/415437799.db2.gz CPWLRNFAQMRWBP-KRWDZBQOSA-N 2 1 296.455 2.036 20 0 CEADMP Cc1csc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655772702 415450863 /nfs/dbraw/zinc/45/08/63/415450863.db2.gz JSPULQIXBGVOOQ-CQSZACIVSA-N 2 1 280.437 2.399 20 0 CEADMP CCC[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)OC ZINC000655771852 415451220 /nfs/dbraw/zinc/45/12/20/415451220.db2.gz PMNRHJVHXMVQIG-HOTGVXAUSA-N 2 1 284.444 2.035 20 0 CEADMP FC1(F)CCC[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655771722 415453148 /nfs/dbraw/zinc/45/31/48/415453148.db2.gz CWRQVZJLVKPTOW-GXTWGEPZSA-N 2 1 288.382 2.265 20 0 CEADMP CC[C@H](C)C[C@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655779583 415459991 /nfs/dbraw/zinc/45/99/91/415459991.db2.gz OJCBPMYYZQTBMR-UAGQMJEPSA-N 2 1 298.471 2.017 20 0 CEADMP Cn1ncc2c1CC(C)(C)C[N@H+](CC[C@H]1CCC[NH+]1C)C2 ZINC000664877716 415508364 /nfs/dbraw/zinc/50/83/64/415508364.db2.gz QVJWSLNWTMXRJJ-OAHLLOKOSA-N 2 1 290.455 2.289 20 0 CEADMP Cn1ncc2c1CC(C)(C)C[N@@H+](CC[C@H]1CCC[NH+]1C)C2 ZINC000664877716 415508365 /nfs/dbraw/zinc/50/83/65/415508365.db2.gz QVJWSLNWTMXRJJ-OAHLLOKOSA-N 2 1 290.455 2.289 20 0 CEADMP Cn1ncc2c1CC(C)(C)C[NH+](CC[C@H]1CCC[N@@H+]1C)C2 ZINC000664877716 415508368 /nfs/dbraw/zinc/50/83/68/415508368.db2.gz QVJWSLNWTMXRJJ-OAHLLOKOSA-N 2 1 290.455 2.289 20 0 CEADMP Cn1ncc2c1CC(C)(C)C[NH+](CC[C@H]1CCC[N@H+]1C)C2 ZINC000664877716 415508370 /nfs/dbraw/zinc/50/83/70/415508370.db2.gz QVJWSLNWTMXRJJ-OAHLLOKOSA-N 2 1 290.455 2.289 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)CC[N@@H+]1C ZINC000655838339 415511658 /nfs/dbraw/zinc/51/16/58/415511658.db2.gz AIGJBDPJCDLSGJ-AAVRWANBSA-N 2 1 254.418 2.405 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)CC[N@H+]1C ZINC000655838339 415511664 /nfs/dbraw/zinc/51/16/64/415511664.db2.gz AIGJBDPJCDLSGJ-AAVRWANBSA-N 2 1 254.418 2.405 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655848457 415517761 /nfs/dbraw/zinc/51/77/61/415517761.db2.gz JAIWNYUJPWCUIN-SJORKVTESA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1noc2ccccc21 ZINC000655942363 415558298 /nfs/dbraw/zinc/55/82/98/415558298.db2.gz OVLLHTLLDVQJCW-NWDGAFQWSA-N 2 1 259.353 2.182 20 0 CEADMP C[C@H]1CC[N@@H+](CCc2noc3ccccc32)C[C@@H]1C[NH3+] ZINC000655940091 415560003 /nfs/dbraw/zinc/56/00/03/415560003.db2.gz PBCWIRQYSDWPRL-STQMWFEESA-N 2 1 273.380 2.287 20 0 CEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000655945944 415560441 /nfs/dbraw/zinc/56/04/41/415560441.db2.gz IERMPBXOHCSLIS-ZFWWWQNUSA-N 2 1 252.402 2.020 20 0 CEADMP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656212080 415644820 /nfs/dbraw/zinc/64/48/20/415644820.db2.gz YSYBVZQUYZETKO-KLPPZKSPSA-N 2 1 276.359 2.465 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc2c(c1)OCO2 ZINC000665249324 415647595 /nfs/dbraw/zinc/64/75/95/415647595.db2.gz NMHFNJOUEVUXDP-LLVKDONJSA-N 2 1 262.353 2.337 20 0 CEADMP C[C@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000665251095 415649873 /nfs/dbraw/zinc/64/98/73/415649873.db2.gz HEKNACLTSCUGHS-DZOHQFGASA-N 2 1 287.451 2.204 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000665274679 415665330 /nfs/dbraw/zinc/66/53/30/415665330.db2.gz VTZDYWUYFPCDBU-GJZGRUSLSA-N 2 1 276.428 2.437 20 0 CEADMP CCCCO[C@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1(C)C ZINC000665278364 415670829 /nfs/dbraw/zinc/67/08/29/415670829.db2.gz CBOCPQLHKSNNAH-IQXANGCESA-N 2 1 266.429 2.312 20 0 CEADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)C1CC[NH+](C)CC1 ZINC000071376851 176142347 /nfs/dbraw/zinc/14/23/47/176142347.db2.gz KUZWLQHOVLVBAV-AWEZNQCLSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)C1CC[NH+](C)CC1 ZINC000071376851 176142349 /nfs/dbraw/zinc/14/23/49/176142349.db2.gz KUZWLQHOVLVBAV-AWEZNQCLSA-N 3 1 267.461 2.181 20 0 CEADMP C[N@H+](Cc1cc2ccccc2o1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256791 415724426 /nfs/dbraw/zinc/72/44/26/415724426.db2.gz KNXCDMHOCMFTOM-CQSZACIVSA-N 2 1 286.375 2.386 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(CC)C2=O)CC1 ZINC000659846849 415727690 /nfs/dbraw/zinc/72/76/90/415727690.db2.gz JNGBTPAUYCUAOX-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CCN1C ZINC000662261851 415729990 /nfs/dbraw/zinc/72/99/90/415729990.db2.gz BKXKXKTYZOWMRV-PBHICJAKSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@@H](N(C)Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1C ZINC000662261851 415729996 /nfs/dbraw/zinc/72/99/96/415729996.db2.gz BKXKXKTYZOWMRV-PBHICJAKSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@@H](N(C)Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1C ZINC000662261851 415730001 /nfs/dbraw/zinc/73/00/01/415730001.db2.gz BKXKXKTYZOWMRV-PBHICJAKSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1C ZINC000662261851 415730006 /nfs/dbraw/zinc/73/00/06/415730006.db2.gz BKXKXKTYZOWMRV-PBHICJAKSA-N 3 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1C ZINC000662261851 415730009 /nfs/dbraw/zinc/73/00/09/415730009.db2.gz BKXKXKTYZOWMRV-PBHICJAKSA-N 3 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CC[NH+]1C ZINC000662261851 415730011 /nfs/dbraw/zinc/73/00/11/415730011.db2.gz BKXKXKTYZOWMRV-PBHICJAKSA-N 3 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CC[NH+]1C ZINC000662261851 415730017 /nfs/dbraw/zinc/73/00/17/415730017.db2.gz BKXKXKTYZOWMRV-PBHICJAKSA-N 3 1 287.451 2.247 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)C1CCCCC1 ZINC000662264804 415730354 /nfs/dbraw/zinc/73/03/54/415730354.db2.gz MIXWATZDZJBXFE-UMVBOHGHSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)C1CCC1 ZINC000662234839 415699548 /nfs/dbraw/zinc/69/95/48/415699548.db2.gz NWYRLNNEQDBYNS-OAHLLOKOSA-N 2 1 252.402 2.018 20 0 CEADMP COc1cccc(SCC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000662245568 415706898 /nfs/dbraw/zinc/70/68/98/415706898.db2.gz SFCSZZSJSXPJQB-WFASDCNBSA-N 2 1 280.437 2.456 20 0 CEADMP c1ccc(C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662249095 415709699 /nfs/dbraw/zinc/70/96/99/415709699.db2.gz ORKZHMGFHGZMDL-MRXNPFEDSA-N 2 1 272.392 2.172 20 0 CEADMP Clc1cccc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000656451879 415710146 /nfs/dbraw/zinc/71/01/46/415710146.db2.gz CIJRWUVYGHSFCC-CHWSQXEVSA-N 2 1 250.773 2.034 20 0 CEADMP CCc1nnc([C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000662273561 415740778 /nfs/dbraw/zinc/74/07/78/415740778.db2.gz OIVRFUKUWPTIRF-IHRRRGAJSA-N 2 1 291.443 2.140 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C1CCCC1 ZINC000662278527 415744659 /nfs/dbraw/zinc/74/46/59/415744659.db2.gz ZCTLQASJCNXYSV-QHSBEEBCSA-N 2 1 254.418 2.168 20 0 CEADMP Fc1cccc([C@H]2COCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000662309725 415770101 /nfs/dbraw/zinc/77/01/01/415770101.db2.gz CUWSCWLUMRMHIB-CZUORRHYSA-N 2 1 278.371 2.199 20 0 CEADMP Fc1cccc([C@H]2COCC[N@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000662309725 415770105 /nfs/dbraw/zinc/77/01/05/415770105.db2.gz CUWSCWLUMRMHIB-CZUORRHYSA-N 2 1 278.371 2.199 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCOCC(F)(F)F)[C@@H]1CCC[NH3+] ZINC000662313009 415772807 /nfs/dbraw/zinc/77/28/07/415772807.db2.gz JJIJZDIVYKAISB-VXGBXAGGSA-N 2 1 282.350 2.405 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)nn2C)[C@@H]1CCC[NH3+] ZINC000662316789 415773528 /nfs/dbraw/zinc/77/35/28/415773528.db2.gz NWRRTBAQMZYDDW-TZMCWYRMSA-N 2 1 291.443 2.032 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)c1ccccc1 ZINC000659874478 415753533 /nfs/dbraw/zinc/75/35/33/415753533.db2.gz OUXPXILTGAPLDO-WBVHZDCISA-N 2 1 278.440 2.423 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)c1ccccc1 ZINC000659874478 415753536 /nfs/dbraw/zinc/75/35/36/415753536.db2.gz OUXPXILTGAPLDO-WBVHZDCISA-N 2 1 278.440 2.423 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000659874478 415753539 /nfs/dbraw/zinc/75/35/39/415753539.db2.gz OUXPXILTGAPLDO-WBVHZDCISA-N 2 1 278.440 2.423 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000659874478 415753542 /nfs/dbraw/zinc/75/35/42/415753542.db2.gz OUXPXILTGAPLDO-WBVHZDCISA-N 2 1 278.440 2.423 20 0 CEADMP CC(C)c1noc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662290854 415755693 /nfs/dbraw/zinc/75/56/93/415755693.db2.gz MBRYWLIABQLNLC-AWEZNQCLSA-N 2 1 292.427 2.405 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)C1CCCC1 ZINC000662287083 415757357 /nfs/dbraw/zinc/75/73/57/415757357.db2.gz VRVHGWDQTTWZHH-XHSDSOJGSA-N 2 1 266.429 2.252 20 0 CEADMP O[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](n3ccnc3)C2)C1 ZINC000659882250 415758749 /nfs/dbraw/zinc/75/87/49/415758749.db2.gz FRUPOEFSEVKWIQ-RBSFLKMASA-N 2 1 263.385 2.071 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)co1 ZINC000662293547 415759859 /nfs/dbraw/zinc/75/98/59/415759859.db2.gz LVZYEUZUVBLPNQ-CQSZACIVSA-N 2 1 263.385 2.195 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662439028 415844129 /nfs/dbraw/zinc/84/41/29/415844129.db2.gz GZKKEFYOUVJWQU-XJKSGUPXSA-N 2 1 289.423 2.068 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662318490 415778966 /nfs/dbraw/zinc/77/89/66/415778966.db2.gz AKYLMUIPPWLCQL-MJBXVCDLSA-N 2 1 252.402 2.160 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC2CC1(c1ccccc1)C2 ZINC000662331361 415783912 /nfs/dbraw/zinc/78/39/12/415783912.db2.gz GVVIERRGSWYIMK-IIIMJFFVSA-N 2 1 288.435 2.309 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC2CC1(c1ccccc1)C2 ZINC000662331361 415783916 /nfs/dbraw/zinc/78/39/16/415783916.db2.gz GVVIERRGSWYIMK-IIIMJFFVSA-N 2 1 288.435 2.309 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662331361 415783920 /nfs/dbraw/zinc/78/39/20/415783920.db2.gz GVVIERRGSWYIMK-IIIMJFFVSA-N 2 1 288.435 2.309 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662331361 415783923 /nfs/dbraw/zinc/78/39/23/415783923.db2.gz GVVIERRGSWYIMK-IIIMJFFVSA-N 2 1 288.435 2.309 20 0 CEADMP C(C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3)C1CC[NH2+]CC1 ZINC000662326824 415785695 /nfs/dbraw/zinc/78/56/95/415785695.db2.gz DAFVIZSQESPSDZ-CALCHBBNSA-N 2 1 278.440 2.269 20 0 CEADMP CO[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C1CCC1 ZINC000659946142 415801817 /nfs/dbraw/zinc/80/18/17/415801817.db2.gz DJRABGXISSLYNX-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C1CCC1 ZINC000659946142 415801822 /nfs/dbraw/zinc/80/18/22/415801822.db2.gz DJRABGXISSLYNX-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000659946142 415801825 /nfs/dbraw/zinc/80/18/25/415801825.db2.gz DJRABGXISSLYNX-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1COC(C)(C)C1 ZINC000659959402 415810393 /nfs/dbraw/zinc/81/03/93/415810393.db2.gz DQPDBJMIPDSUSY-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1COC(C)(C)C1 ZINC000659959402 415810399 /nfs/dbraw/zinc/81/03/99/415810399.db2.gz DQPDBJMIPDSUSY-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1COC(C)(C)C1 ZINC000659959402 415810405 /nfs/dbraw/zinc/81/04/05/415810405.db2.gz DQPDBJMIPDSUSY-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1COC(C)(C)C1 ZINC000659959402 415810411 /nfs/dbraw/zinc/81/04/11/415810411.db2.gz DQPDBJMIPDSUSY-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)CNC(=O)CCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000659959856 415810757 /nfs/dbraw/zinc/81/07/57/415810757.db2.gz FUNADZOGRRMTAA-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)CNC(=O)CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000659959856 415810764 /nfs/dbraw/zinc/81/07/64/415810764.db2.gz FUNADZOGRRMTAA-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)CNC(=O)CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000659959856 415810772 /nfs/dbraw/zinc/81/07/72/415810772.db2.gz FUNADZOGRRMTAA-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000659983388 415825049 /nfs/dbraw/zinc/82/50/49/415825049.db2.gz KUFDNLCBCLZPKI-YVSFHVDLSA-N 2 1 281.488 2.379 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000659983388 415825053 /nfs/dbraw/zinc/82/50/53/415825053.db2.gz KUFDNLCBCLZPKI-YVSFHVDLSA-N 2 1 281.488 2.379 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000659983388 415825060 /nfs/dbraw/zinc/82/50/60/415825060.db2.gz KUFDNLCBCLZPKI-YVSFHVDLSA-N 2 1 281.488 2.379 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCO[C@H]2CC2(F)F)CC1 ZINC000659983820 415826958 /nfs/dbraw/zinc/82/69/58/415826958.db2.gz WODMMAUBFXNXLV-ZDUSSCGKSA-N 2 1 276.371 2.217 20 0 CEADMP C[C@@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[N@H+]1CCCC[C@H]1C ZINC000662678867 415928760 /nfs/dbraw/zinc/92/87/60/415928760.db2.gz JDSUNKNNDMDCJQ-KGLIPLIRSA-N 2 1 293.455 2.040 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)CCO1 ZINC000660112631 415884661 /nfs/dbraw/zinc/88/46/61/415884661.db2.gz KCBMFQKIVLMZEL-GBJTYRQASA-N 2 1 263.385 2.334 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCC(=O)NCC(C)C ZINC000660116680 415888403 /nfs/dbraw/zinc/88/84/03/415888403.db2.gz JNPOLNHRGKNWHI-UHFFFAOYSA-N 2 1 294.443 2.066 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCC(=O)NCC(C)C ZINC000660116680 415888405 /nfs/dbraw/zinc/88/84/05/415888405.db2.gz JNPOLNHRGKNWHI-UHFFFAOYSA-N 2 1 294.443 2.066 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccccc2)CCC1 ZINC000660024430 415856367 /nfs/dbraw/zinc/85/63/67/415856367.db2.gz AMOWSNLBAHQQTO-MRXNPFEDSA-N 2 1 276.424 2.357 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccccc2)CCC1 ZINC000660024430 415856375 /nfs/dbraw/zinc/85/63/75/415856375.db2.gz AMOWSNLBAHQQTO-MRXNPFEDSA-N 2 1 276.424 2.357 20 0 CEADMP C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)[C@H]1CCOC1 ZINC000656782365 415858617 /nfs/dbraw/zinc/85/86/17/415858617.db2.gz FMFZCHSUQJLBJT-HOCLYGCPSA-N 2 1 266.429 2.125 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2cccs2)CCCC1 ZINC000656788410 415862017 /nfs/dbraw/zinc/86/20/17/415862017.db2.gz OBWXEGRBOMXNCD-UHFFFAOYSA-N 2 1 276.409 2.499 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000656785588 415862471 /nfs/dbraw/zinc/86/24/71/415862471.db2.gz MJTBIBCRQZNSMQ-OAHLLOKOSA-N 2 1 289.423 2.307 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC1([NH3+])CCCC1 ZINC000656789491 415863726 /nfs/dbraw/zinc/86/37/26/415863726.db2.gz OXDKEVUIWYJBPS-RDJZCZTQSA-N 2 1 287.451 2.368 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000656789491 415863732 /nfs/dbraw/zinc/86/37/32/415863732.db2.gz OXDKEVUIWYJBPS-RDJZCZTQSA-N 2 1 287.451 2.368 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656789580 415864722 /nfs/dbraw/zinc/86/47/22/415864722.db2.gz RPVUOPUMCDDCFW-UHFFFAOYSA-N 2 1 250.390 2.134 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CC(C)(C)C1 ZINC000660247000 415938597 /nfs/dbraw/zinc/93/85/97/415938597.db2.gz BPYAYBLWLYIHSQ-KGLIPLIRSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000660247000 415938602 /nfs/dbraw/zinc/93/86/02/415938602.db2.gz BPYAYBLWLYIHSQ-KGLIPLIRSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000660247000 415938607 /nfs/dbraw/zinc/93/86/07/415938607.db2.gz BPYAYBLWLYIHSQ-KGLIPLIRSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000566542892 299000229 /nfs/dbraw/zinc/00/02/29/299000229.db2.gz HIBQEYVIYKQDKF-AIEDFZFUSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000566542892 299000231 /nfs/dbraw/zinc/00/02/31/299000231.db2.gz HIBQEYVIYKQDKF-AIEDFZFUSA-N 2 1 252.402 2.159 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(OC)c1 ZINC000666998246 419509257 /nfs/dbraw/zinc/50/92/57/419509257.db2.gz JLNXZSMYZOBJHW-AWEZNQCLSA-N 2 1 290.407 2.468 20 0 CEADMP c1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000667498548 419699216 /nfs/dbraw/zinc/69/92/16/419699216.db2.gz MUOOIDDWBVEZNZ-CQSZACIVSA-N 2 1 298.390 2.268 20 0 CEADMP Cc1ncc(CN2CCC[N@H+](C(C)(C)C)CC2)n1C ZINC000667563791 419712288 /nfs/dbraw/zinc/71/22/88/419712288.db2.gz QWCLDRUHXZCLKP-UHFFFAOYSA-N 2 1 264.417 2.035 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000521371890 260089321 /nfs/dbraw/zinc/08/93/21/260089321.db2.gz OXEBRAXGDWVNSU-HRCADAONSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000521371890 260089322 /nfs/dbraw/zinc/08/93/22/260089322.db2.gz OXEBRAXGDWVNSU-HRCADAONSA-N 2 1 279.472 2.322 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[NH2+]CC2)C[C@H]1C ZINC000427317593 260587267 /nfs/dbraw/zinc/58/72/67/260587267.db2.gz XLYGXAVUEQKQJJ-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+]C[C@H]([NH2+]C/C=C/c1ccc(F)cc1F)C1CC1 ZINC000414791579 263048791 /nfs/dbraw/zinc/04/87/91/263048791.db2.gz BNPNHIJUDRUXBZ-YUKKFKLSSA-N 2 1 252.308 2.305 20 0 CEADMP CC(C)[NH+](CCN(C)Cc1c[nH+]c(N(C)C)n1C)C(C)C ZINC000425337632 264006961 /nfs/dbraw/zinc/00/69/61/264006961.db2.gz AGOBXWXFOLKZNK-UHFFFAOYSA-N 2 1 295.475 2.037 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000425419744 264296197 /nfs/dbraw/zinc/29/61/97/264296197.db2.gz NTXLDWGMLVALDJ-HOTGVXAUSA-N 2 1 266.429 2.362 20 0 CEADMP COc1nc2ccccc2cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000519155288 265341170 /nfs/dbraw/zinc/34/11/70/265341170.db2.gz BWZVKUFKJQCXDU-QWHCGFSZSA-N 2 1 285.391 2.413 20 0 CEADMP COc1nc2ccccc2cc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000519155288 265341172 /nfs/dbraw/zinc/34/11/72/265341172.db2.gz BWZVKUFKJQCXDU-QWHCGFSZSA-N 2 1 285.391 2.413 20 0 CEADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC(C)C ZINC000192720974 270279462 /nfs/dbraw/zinc/27/94/62/270279462.db2.gz ZBMJMKLNFXTSSU-UHFFFAOYSA-N 2 1 269.477 2.380 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000189714309 270263215 /nfs/dbraw/zinc/26/32/15/270263215.db2.gz KJUMEXLFFFYLPC-ZDUSSCGKSA-N 2 1 263.385 2.195 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CC)c1ccccc1 ZINC000310784130 270333159 /nfs/dbraw/zinc/33/31/59/270333159.db2.gz GCIMMOHWGOHDPK-LSDHHAIUSA-N 2 1 250.386 2.040 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000310784130 270333160 /nfs/dbraw/zinc/33/31/60/270333160.db2.gz GCIMMOHWGOHDPK-LSDHHAIUSA-N 2 1 250.386 2.040 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000393262166 270341225 /nfs/dbraw/zinc/34/12/25/270341225.db2.gz LVMXNCPJJOREQA-ZACQAIPSSA-N 2 1 274.408 2.230 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@H]1CCCC[NH2+]1 ZINC000395109557 270344221 /nfs/dbraw/zinc/34/42/21/270344221.db2.gz ZAGDOVMUTZPMJF-UKRRQHHQSA-N 2 1 290.407 2.121 20 0 CEADMP Cc1csc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)n1 ZINC000397245514 270352400 /nfs/dbraw/zinc/35/24/00/270352400.db2.gz AQSHNVXEGRLRND-DLOVCJGASA-N 2 1 253.415 2.257 20 0 CEADMP Cc1csc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)n1 ZINC000397245514 270352402 /nfs/dbraw/zinc/35/24/02/270352402.db2.gz AQSHNVXEGRLRND-DLOVCJGASA-N 2 1 253.415 2.257 20 0 CEADMP Cc1ncsc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397257293 270352467 /nfs/dbraw/zinc/35/24/67/270352467.db2.gz FWEIRQMUZUBSDT-SCVCMEIPSA-N 2 1 253.415 2.257 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1ccc(Br)s1)C1CC1 ZINC000399238713 270367367 /nfs/dbraw/zinc/36/73/67/270367367.db2.gz FXHONRRDWRGBBS-SECBINFHSA-N 2 1 275.215 2.338 20 0 CEADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420327827 270519041 /nfs/dbraw/zinc/51/90/41/270519041.db2.gz YXSCMUFQJYUVAK-FVQBIDKESA-N 2 1 292.423 2.237 20 0 CEADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420327827 270519043 /nfs/dbraw/zinc/51/90/43/270519043.db2.gz YXSCMUFQJYUVAK-FVQBIDKESA-N 2 1 292.423 2.237 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422772037 270761249 /nfs/dbraw/zinc/76/12/49/270761249.db2.gz XZRHMTLZVGAABU-KGLIPLIRSA-N 3 1 255.450 2.214 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000422772037 270761250 /nfs/dbraw/zinc/76/12/50/270761250.db2.gz XZRHMTLZVGAABU-KGLIPLIRSA-N 3 1 255.450 2.214 20 0 CEADMP C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1c[nH+]ccc1N ZINC000423019946 270821778 /nfs/dbraw/zinc/82/17/78/270821778.db2.gz XYPQWSPYNXEQRC-QWHCGFSZSA-N 2 1 277.412 2.334 20 0 CEADMP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423023573 270821821 /nfs/dbraw/zinc/82/18/21/270821821.db2.gz KANSWBVTJKBCSO-RBSFLKMASA-N 2 1 292.423 2.298 20 0 CEADMP CC[C@H]([NH2+]C[C@](C)(CO)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423105345 270837034 /nfs/dbraw/zinc/83/70/34/270837034.db2.gz IEVYSYOVPPVESE-YESZJQIVSA-N 2 1 276.424 2.057 20 0 CEADMP COC[C@]1(C[NH2+][C@H]2c3ccccc3C[C@H]2C)CCC[NH2+]1 ZINC000423427817 270911746 /nfs/dbraw/zinc/91/17/46/270911746.db2.gz NVCSBEXQPYMDTD-KBRIMQKVSA-N 2 1 274.408 2.278 20 0 CEADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1nccs1 ZINC000423499031 270918315 /nfs/dbraw/zinc/91/83/15/270918315.db2.gz ACYLWQRPCPAIKL-IYXRBSQSSA-N 2 1 294.468 2.010 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423509528 270920207 /nfs/dbraw/zinc/92/02/07/270920207.db2.gz RMZLGHHUKZVQAP-RRFJBIMHSA-N 2 1 254.418 2.299 20 0 CEADMP COC(=O)CC1CC([NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000424269826 271037006 /nfs/dbraw/zinc/03/70/06/271037006.db2.gz PTOASGAUKSLSNX-DNDYEEKYSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)CC1CC([NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000424269826 271037011 /nfs/dbraw/zinc/03/70/11/271037011.db2.gz PTOASGAUKSLSNX-DNDYEEKYSA-N 2 1 282.428 2.038 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424278635 271038619 /nfs/dbraw/zinc/03/86/19/271038619.db2.gz DQQPOHTWENSOFG-DOTOQJQBSA-N 2 1 293.430 2.284 20 0 CEADMP CCCCN(CC)C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424293764 271041248 /nfs/dbraw/zinc/04/12/48/271041248.db2.gz PZNWGFXEHIAKRV-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C([NH2+][C@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)[C@@H]1C[C@H]1C1CCC1 ZINC000424375253 271051158 /nfs/dbraw/zinc/05/11/58/271051158.db2.gz KBLQQMMFLYWCBI-BQJWPVKWSA-N 2 1 278.440 2.169 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000424367759 271051731 /nfs/dbraw/zinc/05/17/31/271051731.db2.gz NRORPJSBIQKEJA-HUUCEWRRSA-N 2 1 276.428 2.286 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCC[C@H]1C ZINC000426761701 271233306 /nfs/dbraw/zinc/23/33/06/271233306.db2.gz COVSATNXEPLWLX-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000426761701 271233308 /nfs/dbraw/zinc/23/33/08/271233308.db2.gz COVSATNXEPLWLX-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000426761701 271233311 /nfs/dbraw/zinc/23/33/11/271233311.db2.gz COVSATNXEPLWLX-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](C)OC ZINC000429228946 271314261 /nfs/dbraw/zinc/31/42/61/271314261.db2.gz UWXXXVKLAGBWIY-ZDUSSCGKSA-N 2 1 253.390 2.192 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](C)OC ZINC000429228946 271314262 /nfs/dbraw/zinc/31/42/62/271314262.db2.gz UWXXXVKLAGBWIY-ZDUSSCGKSA-N 2 1 253.390 2.192 20 0 CEADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000429522159 271336664 /nfs/dbraw/zinc/33/66/64/271336664.db2.gz SPIVSKDMTCQFML-MELADBBJSA-N 2 1 254.418 2.406 20 0 CEADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000429522159 271336666 /nfs/dbraw/zinc/33/66/66/271336666.db2.gz SPIVSKDMTCQFML-MELADBBJSA-N 2 1 254.418 2.406 20 0 CEADMP CCC([NH3+])(CC)CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000429666912 271339900 /nfs/dbraw/zinc/33/99/00/271339900.db2.gz UFLYFRITWSMRHK-AWEZNQCLSA-N 2 1 291.439 2.141 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOCCOc2ccccc2)C1 ZINC000430579474 271394257 /nfs/dbraw/zinc/39/42/57/271394257.db2.gz QILFMCQBTVTHOR-HZPDHXFCSA-N 2 1 292.423 2.141 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)C1 ZINC000441357817 271801248 /nfs/dbraw/zinc/80/12/48/271801248.db2.gz UJSZHFMTUIHVRG-ZSHCYNCHSA-N 2 1 281.488 2.427 20 0 CEADMP Cn1c(N[C@H]2CCC[C@H]([NH+](C)C)C2)[nH+]c2cccc(F)c21 ZINC000443511629 271862602 /nfs/dbraw/zinc/86/26/02/271862602.db2.gz QOGLJWHNUVJKDL-RYUDHWBXSA-N 2 1 290.386 2.419 20 0 CEADMP COc1cc2c(c(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)c1)O[C@@H](C)C2 ZINC000346650632 274100602 /nfs/dbraw/zinc/10/06/02/274100602.db2.gz PTXIBCJHWIWPJN-AVGNSLFASA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(c(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)c1)O[C@@H](C)C2 ZINC000346650632 274100604 /nfs/dbraw/zinc/10/06/04/274100604.db2.gz PTXIBCJHWIWPJN-AVGNSLFASA-N 2 1 290.407 2.188 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C2 ZINC000414183225 274154381 /nfs/dbraw/zinc/15/43/81/274154381.db2.gz NCNNHPHHRGRZOU-BJJXKVORSA-N 2 1 274.408 2.092 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C2 ZINC000414183225 274154382 /nfs/dbraw/zinc/15/43/82/274154382.db2.gz NCNNHPHHRGRZOU-BJJXKVORSA-N 2 1 274.408 2.092 20 0 CEADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178956047 274275637 /nfs/dbraw/zinc/27/56/37/274275637.db2.gz XWQISSJGJRKTFX-AWEZNQCLSA-N 2 1 299.422 2.260 20 0 CEADMP Clc1c[nH+]ccc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334996348 274885112 /nfs/dbraw/zinc/88/51/12/274885112.db2.gz RTIREAVVPDFUQS-ZDUSSCGKSA-N 2 1 251.761 2.315 20 0 CEADMP O[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCc2ccccc21 ZINC000297361143 275056184 /nfs/dbraw/zinc/05/61/84/275056184.db2.gz FVMKKYXIUVMCQY-GOSISDBHSA-N 2 1 286.419 2.037 20 0 CEADMP c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000335032367 275069410 /nfs/dbraw/zinc/06/94/10/275069410.db2.gz WFQMAHOXRGWYDR-GDBMZVCRSA-N 2 1 260.381 2.032 20 0 CEADMP CC(C)O[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1(C)C ZINC000185204657 275662037 /nfs/dbraw/zinc/66/20/37/275662037.db2.gz PVNCACOHBJBSRJ-HOTGVXAUSA-N 2 1 298.471 2.015 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)CS1 ZINC000372848287 276003238 /nfs/dbraw/zinc/00/32/38/276003238.db2.gz QMZJCPGYPPZSMV-AVGNSLFASA-N 2 1 265.426 2.318 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000353139879 276009309 /nfs/dbraw/zinc/00/93/09/276009309.db2.gz OTLGHPIFUPKDSC-SQWLQELKSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000353139879 276009310 /nfs/dbraw/zinc/00/93/10/276009310.db2.gz OTLGHPIFUPKDSC-SQWLQELKSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000353139879 276009311 /nfs/dbraw/zinc/00/93/11/276009311.db2.gz OTLGHPIFUPKDSC-SQWLQELKSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000353139879 276009312 /nfs/dbraw/zinc/00/93/12/276009312.db2.gz OTLGHPIFUPKDSC-SQWLQELKSA-N 2 1 265.445 2.076 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000353522388 276216611 /nfs/dbraw/zinc/21/66/11/276216611.db2.gz UJSQVCBUHJSGDZ-PRLABOORSA-N 3 1 267.461 2.179 20 0 CEADMP CCN1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000353522388 276216613 /nfs/dbraw/zinc/21/66/13/276216613.db2.gz UJSQVCBUHJSGDZ-PRLABOORSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000339710352 276324584 /nfs/dbraw/zinc/32/45/84/276324584.db2.gz MPIMDWDAUNEGOA-INIZCTEOSA-N 2 1 270.461 2.449 20 0 CEADMP CCO[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000193436077 276335996 /nfs/dbraw/zinc/33/59/96/276335996.db2.gz CHHLNQBLRSQGHS-INIZCTEOSA-N 2 1 262.397 2.448 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC(C)(C)C2)CC1 ZINC000361468095 276358957 /nfs/dbraw/zinc/35/89/57/276358957.db2.gz FJYHKSRQAIWLRD-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCOCC1 ZINC000359666106 276583462 /nfs/dbraw/zinc/58/34/62/276583462.db2.gz VNOSMORQFODICR-INIZCTEOSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2C[C@H]2CCC=CO2)CC1 ZINC000377267675 277038261 /nfs/dbraw/zinc/03/82/61/277038261.db2.gz QMHIDMUTKPNPMB-CQSZACIVSA-N 2 1 250.386 2.239 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000253198674 277074384 /nfs/dbraw/zinc/07/43/84/277074384.db2.gz VVEAONBYKUTSDZ-IUODEOHRSA-N 2 1 275.396 2.062 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000338322863 277079098 /nfs/dbraw/zinc/07/90/98/277079098.db2.gz KULDFMBRMWIPSP-CVEARBPZSA-N 2 1 274.408 2.454 20 0 CEADMP CC(C)(C)OC(=O)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000365552962 277176719 /nfs/dbraw/zinc/17/67/19/277176719.db2.gz PRIZIIYDNGPRGH-ILXRZTDVSA-N 2 1 294.439 2.134 20 0 CEADMP CC(C)(C)OC(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000365552962 277176720 /nfs/dbraw/zinc/17/67/20/277176720.db2.gz PRIZIIYDNGPRGH-ILXRZTDVSA-N 2 1 294.439 2.134 20 0 CEADMP CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365552962 277176721 /nfs/dbraw/zinc/17/67/21/277176721.db2.gz PRIZIIYDNGPRGH-ILXRZTDVSA-N 2 1 294.439 2.134 20 0 CEADMP CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365552962 277176723 /nfs/dbraw/zinc/17/67/23/277176723.db2.gz PRIZIIYDNGPRGH-ILXRZTDVSA-N 2 1 294.439 2.134 20 0 CEADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000122952527 277203449 /nfs/dbraw/zinc/20/34/49/277203449.db2.gz AKRUNFNVNSGUGD-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(N1CC[NH+]([C@H]3C=CCCC3)CC1)C2 ZINC000182598959 277214749 /nfs/dbraw/zinc/21/47/49/277214749.db2.gz MLEAXBIEYQLMHU-XNHLSEOASA-N 2 1 289.467 2.338 20 0 CEADMP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000360031193 277259703 /nfs/dbraw/zinc/25/97/03/277259703.db2.gz ZKRZNKLOJXAGQN-KBPBESRZSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H](O)C(F)F)CC1 ZINC000358646732 277685967 /nfs/dbraw/zinc/68/59/67/277685967.db2.gz DKXCMWCULQOCRC-BNOWGMLFSA-N 2 1 290.398 2.245 20 0 CEADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000279748357 277733343 /nfs/dbraw/zinc/73/33/43/277733343.db2.gz PTZXEYTWNCKVCD-CJNGLKHVSA-N 2 1 262.397 2.446 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2cccn2)CC[N@@H+]1C ZINC000246926828 278028247 /nfs/dbraw/zinc/02/82/47/278028247.db2.gz GHLOKCRZMXGSRB-KLHDSHLOSA-N 2 1 276.428 2.439 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2cccn2)CC[N@H+]1C ZINC000246926828 278028249 /nfs/dbraw/zinc/02/82/49/278028249.db2.gz GHLOKCRZMXGSRB-KLHDSHLOSA-N 2 1 276.428 2.439 20 0 CEADMP C[C@@](O)(C[NH2+]C1CC[NH+](C2CCCC2)CC1)C(F)(F)F ZINC000360060953 278116758 /nfs/dbraw/zinc/11/67/58/278116758.db2.gz RLNXJEJYUFBYFN-CYBMUJFWSA-N 2 1 294.361 2.296 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000245976336 278237278 /nfs/dbraw/zinc/23/72/78/278237278.db2.gz OUISGZFXRAQZHS-PMPSAXMXSA-N 2 1 278.444 2.372 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000245976336 278237279 /nfs/dbraw/zinc/23/72/79/278237279.db2.gz OUISGZFXRAQZHS-PMPSAXMXSA-N 2 1 278.444 2.372 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000252729471 288080088 /nfs/dbraw/zinc/08/00/88/288080088.db2.gz GVOJGQXSTAWZMC-QLFBSQMISA-N 2 1 298.496 2.361 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000252729471 288080090 /nfs/dbraw/zinc/08/00/90/288080090.db2.gz GVOJGQXSTAWZMC-QLFBSQMISA-N 2 1 298.496 2.361 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000125359609 288105467 /nfs/dbraw/zinc/10/54/67/288105467.db2.gz MQNOWWLXRHYZCV-IIAWOOMASA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000125359609 288105470 /nfs/dbraw/zinc/10/54/70/288105470.db2.gz MQNOWWLXRHYZCV-IIAWOOMASA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CCSCC1 ZINC000131167064 288105855 /nfs/dbraw/zinc/10/58/55/288105855.db2.gz QDHBQWNFCPMANV-YRGRVCCFSA-N 2 1 256.459 2.448 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC1([NH+](C)C)CCCC1 ZINC000125528784 288101671 /nfs/dbraw/zinc/10/16/71/288101671.db2.gz PBXRSTNWGDBXRL-ILXRZTDVSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000359034485 279161183 /nfs/dbraw/zinc/16/11/83/279161183.db2.gz ZPDKXEOGMMMHCW-KBUPBQIOSA-N 2 1 255.450 2.035 20 0 CEADMP C[C@@H]1C[N@H+](C2CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000336390345 288133158 /nfs/dbraw/zinc/13/31/58/288133158.db2.gz CFVBJTXJFLJZJT-CQSZACIVSA-N 2 1 265.445 2.029 20 0 CEADMP CC(C)c1noc(C[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000056524330 279642453 /nfs/dbraw/zinc/64/24/53/279642453.db2.gz CCRXKKFWHKPIDH-UHFFFAOYSA-N 2 1 280.416 2.357 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2(O)CCCCCC2)CC[N@H+]1C ZINC000129796351 280009483 /nfs/dbraw/zinc/00/94/83/280009483.db2.gz GMHBSZJLPRPOCL-UONOGXRCSA-N 2 1 254.418 2.144 20 0 CEADMP CC[C@@H](C(=O)NCC[N@@H+](C)C1CCCC1)[NH+](CC)CC ZINC000353771294 280076434 /nfs/dbraw/zinc/07/64/34/280076434.db2.gz JECGNRJJUXNYAD-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000261667076 280153986 /nfs/dbraw/zinc/15/39/86/280153986.db2.gz FZKXERCRDNWSIS-MRXNPFEDSA-N 2 1 276.380 2.019 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000261667076 280153990 /nfs/dbraw/zinc/15/39/90/280153990.db2.gz FZKXERCRDNWSIS-MRXNPFEDSA-N 2 1 276.380 2.019 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000191807972 280175962 /nfs/dbraw/zinc/17/59/62/280175962.db2.gz HROZMWSFORIMTA-OAHLLOKOSA-N 2 1 256.434 2.465 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000191807972 280175963 /nfs/dbraw/zinc/17/59/63/280175963.db2.gz HROZMWSFORIMTA-OAHLLOKOSA-N 2 1 256.434 2.465 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCOCC2)[C@@H](C)C1 ZINC000245432852 280239711 /nfs/dbraw/zinc/23/97/11/280239711.db2.gz OUEIKHHWGVMISB-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCOCC2)[C@@H](C)C1 ZINC000245432852 280239714 /nfs/dbraw/zinc/23/97/14/280239714.db2.gz OUEIKHHWGVMISB-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCOCC2)[C@@H](C)C1 ZINC000245432852 280239718 /nfs/dbraw/zinc/23/97/18/280239718.db2.gz OUEIKHHWGVMISB-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CC[N@@H+](CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)C1CC1 ZINC000246471956 280295960 /nfs/dbraw/zinc/29/59/60/280295960.db2.gz FZFKBAOYVBHYAX-PBHICJAKSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)[NH+]1CCCC1 ZINC000246963281 280316010 /nfs/dbraw/zinc/31/60/10/280316010.db2.gz ISGOHRILDAQVSB-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246981284 280316700 /nfs/dbraw/zinc/31/67/00/280316700.db2.gz JRSPRPWVJGJLRH-OWCLPIDISA-N 2 1 297.487 2.343 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000246981284 280316701 /nfs/dbraw/zinc/31/67/01/280316701.db2.gz JRSPRPWVJGJLRH-OWCLPIDISA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247885442 280340871 /nfs/dbraw/zinc/34/08/71/280340871.db2.gz CZRUJOLZYBWPKA-LSDHHAIUSA-N 2 1 255.450 2.038 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247885442 280340874 /nfs/dbraw/zinc/34/08/74/280340874.db2.gz CZRUJOLZYBWPKA-LSDHHAIUSA-N 3 1 255.450 2.038 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247885442 280340875 /nfs/dbraw/zinc/34/08/75/280340875.db2.gz CZRUJOLZYBWPKA-LSDHHAIUSA-N 3 1 255.450 2.038 20 0 CEADMP CC[N@H+]1CC[C@@H](NCCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000248056048 280341980 /nfs/dbraw/zinc/34/19/80/280341980.db2.gz XLKYGTVTIBYLSR-JKSUJKDBSA-N 2 1 267.461 2.182 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000248056048 280341981 /nfs/dbraw/zinc/34/19/81/280341981.db2.gz XLKYGTVTIBYLSR-JKSUJKDBSA-N 3 1 267.461 2.182 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000248056048 280341983 /nfs/dbraw/zinc/34/19/83/280341983.db2.gz XLKYGTVTIBYLSR-JKSUJKDBSA-N 3 1 267.461 2.182 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000248441451 280346958 /nfs/dbraw/zinc/34/69/58/280346958.db2.gz ABBGBJBYBKZLCF-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2cnccn2)C1 ZINC000248629570 280356099 /nfs/dbraw/zinc/35/60/99/280356099.db2.gz RCXOXLOOIHZULX-KGLIPLIRSA-N 2 1 262.401 2.201 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000248828457 280366369 /nfs/dbraw/zinc/36/63/69/280366369.db2.gz DQMLVWWIHXOTHG-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@H](C)[C@@H]3CCOC3)CC2)[nH+]c1 ZINC000163465729 280864224 /nfs/dbraw/zinc/86/42/24/280864224.db2.gz RLMRMCVKLVLLEA-HUUCEWRRSA-N 2 1 289.423 2.373 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CC23CCSCC3)CC1 ZINC000421393620 280875445 /nfs/dbraw/zinc/87/54/45/280875445.db2.gz YRTMBWOWNVUVAP-AWEZNQCLSA-N 2 1 298.496 2.220 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422829811 280928826 /nfs/dbraw/zinc/92/88/26/280928826.db2.gz CBBHSGJVKFIHSA-QWHCGFSZSA-N 3 1 253.434 2.109 20 0 CEADMP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)[C@H]1CCCCS1 ZINC000423037981 281005056 /nfs/dbraw/zinc/00/50/56/281005056.db2.gz XHEGFCRLRKHBSS-BARDWOONSA-N 2 1 284.469 2.019 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000423049420 281010072 /nfs/dbraw/zinc/01/00/72/281010072.db2.gz XLVCNHFKXXUHMQ-ZQDZILKHSA-N 2 1 267.461 2.355 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423049420 281010076 /nfs/dbraw/zinc/01/00/76/281010076.db2.gz XLVCNHFKXXUHMQ-ZQDZILKHSA-N 3 1 267.461 2.355 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000423049420 281010077 /nfs/dbraw/zinc/01/00/77/281010077.db2.gz XLVCNHFKXXUHMQ-ZQDZILKHSA-N 3 1 267.461 2.355 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423050181 281010348 /nfs/dbraw/zinc/01/03/48/281010348.db2.gz LCULBORQFCOZHV-MLGOLLRUSA-N 2 1 289.398 2.448 20 0 CEADMP C[C@@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423050796 281010834 /nfs/dbraw/zinc/01/08/34/281010834.db2.gz ZJFSSYCTTPVPNN-IVSAIRAKSA-N 2 1 279.472 2.370 20 0 CEADMP CC[C@H]([NH2+]CCc1nn(C)c2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000423051444 281011515 /nfs/dbraw/zinc/01/15/15/281011515.db2.gz NHKOUHOENZFPEX-HOCLYGCPSA-N 2 1 286.423 2.236 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2N(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423061295 281015493 /nfs/dbraw/zinc/01/54/93/281015493.db2.gz QLZZXEBRFIYGCT-VYDXJSESSA-N 2 1 287.451 2.415 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2ccc3c(c2)C[NH2+]C3)[C@@H](C)C1 ZINC000423406184 281031118 /nfs/dbraw/zinc/03/11/18/281031118.db2.gz YRJHTBSUBHZTIP-SUMWQHHRSA-N 2 1 273.424 2.110 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@@H](C)C1 ZINC000423406184 281031121 /nfs/dbraw/zinc/03/11/21/281031121.db2.gz YRJHTBSUBHZTIP-SUMWQHHRSA-N 3 1 273.424 2.110 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@@H](C)C1 ZINC000423406184 281031122 /nfs/dbraw/zinc/03/11/22/281031122.db2.gz YRJHTBSUBHZTIP-SUMWQHHRSA-N 3 1 273.424 2.110 20 0 CEADMP N[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000423465277 281048733 /nfs/dbraw/zinc/04/87/33/281048733.db2.gz HMXGTQQMGHQSJY-SHUKQUCYSA-N 2 1 259.397 2.238 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC23CC3)[C@H](C)C1 ZINC000424314283 281148111 /nfs/dbraw/zinc/14/81/11/281148111.db2.gz CEGWYXUINLXPEP-ILXRZTDVSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@]1(c2nc(C3([NH3+])CCCCC3)no2)CCCC[NH2+]1 ZINC000424350563 281152195 /nfs/dbraw/zinc/15/21/95/281152195.db2.gz XNFAVHMUKHZJRV-CYBMUJFWSA-N 2 1 264.373 2.176 20 0 CEADMP C[C@@H]1CC[C@H]([N@@H+](CCO)CCC[NH+]2CCCCC2)C1 ZINC000429763084 281253005 /nfs/dbraw/zinc/25/30/05/281253005.db2.gz FDEMCVBKPYXRBT-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430931182 281281970 /nfs/dbraw/zinc/28/19/70/281281970.db2.gz VMTODWBQCYNDRI-KBPBESRZSA-N 2 1 297.402 2.447 20 0 CEADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430931182 281281975 /nfs/dbraw/zinc/28/19/75/281281975.db2.gz VMTODWBQCYNDRI-KBPBESRZSA-N 2 1 297.402 2.447 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000430941036 281284307 /nfs/dbraw/zinc/28/43/07/281284307.db2.gz TWIBIORSKJUINA-BBRMVZONSA-N 2 1 262.397 2.297 20 0 CEADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000364044044 281308551 /nfs/dbraw/zinc/30/85/51/281308551.db2.gz IKQXWGDFBFSJCX-OAHLLOKOSA-N 2 1 297.402 2.372 20 0 CEADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@H+]2CCOC[C@H]2C1 ZINC000364044044 281308552 /nfs/dbraw/zinc/30/85/52/281308552.db2.gz IKQXWGDFBFSJCX-OAHLLOKOSA-N 2 1 297.402 2.372 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000432356863 281324868 /nfs/dbraw/zinc/32/48/68/281324868.db2.gz KIWOUENPKDRLCT-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000432356863 281324869 /nfs/dbraw/zinc/32/48/69/281324869.db2.gz KIWOUENPKDRLCT-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC2(C)CCC2)CC1 ZINC000432816390 281342784 /nfs/dbraw/zinc/34/27/84/281342784.db2.gz PNGBUZKSNTTXAE-INIZCTEOSA-N 2 1 279.472 2.279 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000435373569 281386062 /nfs/dbraw/zinc/38/60/62/281386062.db2.gz FCXBVXZWDVXYNY-VXGBXAGGSA-N 2 1 274.368 2.147 20 0 CEADMP CC[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435381803 281386667 /nfs/dbraw/zinc/38/66/67/281386667.db2.gz VTEMYJHALPZESI-OAHLLOKOSA-N 2 1 264.417 2.428 20 0 CEADMP CC[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435381803 281386669 /nfs/dbraw/zinc/38/66/69/281386669.db2.gz VTEMYJHALPZESI-OAHLLOKOSA-N 2 1 264.417 2.428 20 0 CEADMP COCCOc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435430985 281389616 /nfs/dbraw/zinc/38/96/16/281389616.db2.gz GLEMGUKYEVBIFX-MRXNPFEDSA-N 2 1 292.423 2.286 20 0 CEADMP Cc1ccccc1[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000289695709 281392684 /nfs/dbraw/zinc/39/26/84/281392684.db2.gz FERVDWFUUFPGJH-DOTOQJQBSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccccc1[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000289695709 281392685 /nfs/dbraw/zinc/39/26/85/281392685.db2.gz FERVDWFUUFPGJH-DOTOQJQBSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccccc1[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000289695709 281392686 /nfs/dbraw/zinc/39/26/86/281392686.db2.gz FERVDWFUUFPGJH-DOTOQJQBSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccccc1[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000289695709 281392687 /nfs/dbraw/zinc/39/26/87/281392687.db2.gz FERVDWFUUFPGJH-DOTOQJQBSA-N 2 1 288.435 2.239 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000435874310 281399967 /nfs/dbraw/zinc/39/99/67/281399967.db2.gz JAWUSCKGLFCHRA-QZTJIDSGSA-N 3 1 289.467 2.268 20 0 CEADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000435874310 281399970 /nfs/dbraw/zinc/39/99/70/281399970.db2.gz JAWUSCKGLFCHRA-QZTJIDSGSA-N 3 1 289.467 2.268 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)C(C)(C)C)[C@H](C)C1 ZINC000154924939 289159716 /nfs/dbraw/zinc/15/97/16/289159716.db2.gz NNNKWCCKZWJBBD-RDBSUJKOSA-N 2 1 256.434 2.367 20 0 CEADMP C[C@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1C ZINC000156578285 289198631 /nfs/dbraw/zinc/19/86/31/289198631.db2.gz GLUFWAWWZJRJKK-DZGCQCFKSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000157723955 289220077 /nfs/dbraw/zinc/22/00/77/289220077.db2.gz IBAOWGQNCDIQNR-IWMBGFJWSA-N 2 1 297.443 2.114 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000157723955 289220079 /nfs/dbraw/zinc/22/00/79/289220079.db2.gz IBAOWGQNCDIQNR-IWMBGFJWSA-N 2 1 297.443 2.114 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000400519008 289287122 /nfs/dbraw/zinc/28/71/22/289287122.db2.gz GWKGPXCXZSKTQU-RWMBFGLXSA-N 2 1 278.396 2.352 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+]CCc1c[nH+]cn1C)CC2 ZINC000401889391 289288952 /nfs/dbraw/zinc/28/89/52/289288952.db2.gz WJQVIIYRLHVVIN-MRXNPFEDSA-N 2 1 271.364 2.248 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000161658210 290019670 /nfs/dbraw/zinc/01/96/70/290019670.db2.gz CZHUWMJQQCJOAI-NWANDNLSSA-N 2 1 252.402 2.018 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)[C@@H]1SC ZINC000459388407 290134170 /nfs/dbraw/zinc/13/41/70/290134170.db2.gz LKPZQIFZMRLUOC-MHEUCROKSA-N 2 1 297.468 2.326 20 0 CEADMP C[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC[C@H]1O ZINC000459432608 290147404 /nfs/dbraw/zinc/14/74/04/290147404.db2.gz SIGMFUCDMHXDRR-CVEARBPZSA-N 2 1 266.429 2.144 20 0 CEADMP OC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000459471869 290158034 /nfs/dbraw/zinc/15/80/34/290158034.db2.gz NTKWZHUBNSTGES-INIZCTEOSA-N 2 1 288.435 2.054 20 0 CEADMP CC1(C)CCC[N@@H+](CCNC2CC[NH+](C3CC3)CC2)C1 ZINC000459500880 290165859 /nfs/dbraw/zinc/16/58/59/290165859.db2.gz BBGLUFUNQSFHKU-UHFFFAOYSA-N 2 1 279.472 2.325 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000459550227 290176702 /nfs/dbraw/zinc/17/67/02/290176702.db2.gz PKHUZCLTFCYMEX-INIZCTEOSA-N 2 1 265.445 2.077 20 0 CEADMP CC(C)C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cnn(C)c1 ZINC000459601765 290192559 /nfs/dbraw/zinc/19/25/59/290192559.db2.gz ZFJYLFCMKHREIB-MRXNPFEDSA-N 2 1 278.444 2.362 20 0 CEADMP CC(C)C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cnn(C)c1 ZINC000459601765 290192563 /nfs/dbraw/zinc/19/25/63/290192563.db2.gz ZFJYLFCMKHREIB-MRXNPFEDSA-N 2 1 278.444 2.362 20 0 CEADMP CC(C)C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cnn(C)c1 ZINC000459601765 290192566 /nfs/dbraw/zinc/19/25/66/290192566.db2.gz ZFJYLFCMKHREIB-MRXNPFEDSA-N 2 1 278.444 2.362 20 0 CEADMP CC(C)C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cnn(C)c1 ZINC000459601765 290192568 /nfs/dbraw/zinc/19/25/68/290192568.db2.gz ZFJYLFCMKHREIB-MRXNPFEDSA-N 2 1 278.444 2.362 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+]CC2(C)COC2)[C@@H]1c1cccs1 ZINC000375750809 290196086 /nfs/dbraw/zinc/19/60/86/290196086.db2.gz ONUOWYGVIPUTFI-TZMCWYRMSA-N 2 1 280.437 2.367 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2Cc3cccc(OC)c3C2)CC1 ZINC000459696758 290211809 /nfs/dbraw/zinc/21/18/09/290211809.db2.gz JXXJVWPRLQBECI-OAHLLOKOSA-N 2 1 274.408 2.236 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3cccc(OC)c3C2)[C@H](C)C1 ZINC000459700134 290213186 /nfs/dbraw/zinc/21/31/86/290213186.db2.gz MMSXKLBRQWPVTA-UNEWFSDZSA-N 2 1 288.435 2.482 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000459732103 290219638 /nfs/dbraw/zinc/21/96/38/290219638.db2.gz MEJBRUDUENSERT-CYBMUJFWSA-N 2 1 272.396 2.384 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459738404 290222270 /nfs/dbraw/zinc/22/22/70/290222270.db2.gz RRYHJJIGTXLQDL-INIZCTEOSA-N 2 1 289.423 2.467 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459787368 290240133 /nfs/dbraw/zinc/24/01/33/290240133.db2.gz BYPCOENWQOARSO-LBPRGKRZSA-N 2 1 281.400 2.101 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459787368 290240134 /nfs/dbraw/zinc/24/01/34/290240134.db2.gz BYPCOENWQOARSO-LBPRGKRZSA-N 2 1 281.400 2.101 20 0 CEADMP Cc1cnc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000459797364 290243967 /nfs/dbraw/zinc/24/39/67/290243967.db2.gz WPFACEGYYDLINP-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000178740628 290390141 /nfs/dbraw/zinc/39/01/41/290390141.db2.gz IQPHITDTJJJJIS-GJZGRUSLSA-N 2 1 295.471 2.227 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000347064742 295234829 /nfs/dbraw/zinc/23/48/29/295234829.db2.gz DCMCHNAWPDAMNK-ZIAGYGMSSA-N 2 1 262.397 2.469 20 0 CEADMP O[C@@H](C[NH2+]Cc1ccc(C(F)F)cc1)C[NH+]1CCCC1 ZINC000527519714 297724557 /nfs/dbraw/zinc/72/45/57/297724557.db2.gz HUQJWEAURPRLJL-AWEZNQCLSA-N 2 1 284.350 2.171 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cccn3)c2)CC[N@H+]1C ZINC000531611972 298112364 /nfs/dbraw/zinc/11/23/64/298112364.db2.gz GVKIWLGWYHDSOH-GDBMZVCRSA-N 2 1 284.407 2.445 20 0 CEADMP CC[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000532469308 298144857 /nfs/dbraw/zinc/14/48/57/298144857.db2.gz VATMPLFDJSXQJD-DZGCQCFKSA-N 2 1 254.418 2.002 20 0 CEADMP CC1CC([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000546645687 298354979 /nfs/dbraw/zinc/35/49/79/298354979.db2.gz HANOZBKZEUFDPO-NRXISQOPSA-N 2 1 293.480 2.425 20 0 CEADMP CCC[N@@H+](C)CC(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000566554557 299002142 /nfs/dbraw/zinc/00/21/42/299002142.db2.gz IUCHUPPVWQWNCS-UHFFFAOYSA-N 2 1 293.411 2.037 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CSC[C@H]1CN(C)CCO1 ZINC000566560824 299002844 /nfs/dbraw/zinc/00/28/44/299002844.db2.gz KLBIPYPYNOSCSV-HUUCEWRRSA-N 2 1 286.485 2.313 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@@H]1CSC[C@H]1C[NH+](C)CCO1 ZINC000566560824 299002847 /nfs/dbraw/zinc/00/28/47/299002847.db2.gz KLBIPYPYNOSCSV-HUUCEWRRSA-N 2 1 286.485 2.313 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CSC[C@H]1C[NH+](C)CCO1 ZINC000566560824 299002851 /nfs/dbraw/zinc/00/28/51/299002851.db2.gz KLBIPYPYNOSCSV-HUUCEWRRSA-N 2 1 286.485 2.313 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CSC[C@H]1C[N@H+](C)CCO1 ZINC000566560824 299002854 /nfs/dbraw/zinc/00/28/54/299002854.db2.gz KLBIPYPYNOSCSV-HUUCEWRRSA-N 2 1 286.485 2.313 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CSC[C@H]1C[N@@H+](C)CCO1 ZINC000566560824 299002859 /nfs/dbraw/zinc/00/28/59/299002859.db2.gz KLBIPYPYNOSCSV-HUUCEWRRSA-N 2 1 286.485 2.313 20 0 CEADMP COC(=O)c1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000566679510 299014265 /nfs/dbraw/zinc/01/42/65/299014265.db2.gz WOSAKYTZIKRFSZ-KRWDZBQOSA-N 2 1 288.391 2.049 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000566679510 299014269 /nfs/dbraw/zinc/01/42/69/299014269.db2.gz WOSAKYTZIKRFSZ-KRWDZBQOSA-N 2 1 288.391 2.049 20 0 CEADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000566954286 299030223 /nfs/dbraw/zinc/03/02/23/299030223.db2.gz GMJBUZARQOCXJR-OWCLPIDISA-N 2 1 290.455 2.378 20 0 CEADMP CC(C)[C@@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000500069596 313032584 /nfs/dbraw/zinc/03/25/84/313032584.db2.gz IJHCZJRCHHDMEW-QGZVFWFLSA-N 2 1 281.488 2.380 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000515305872 313067192 /nfs/dbraw/zinc/06/71/92/313067192.db2.gz KCVBDQQGGJUYCK-UKRRQHHQSA-N 2 1 256.434 2.105 20 0 CEADMP CCN(C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000520833350 313122837 /nfs/dbraw/zinc/12/28/37/313122837.db2.gz WWETXGHUTXVIKD-HOCLYGCPSA-N 2 1 294.439 2.437 20 0 CEADMP C(C[C@H]1CCCOC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000527928966 313216170 /nfs/dbraw/zinc/21/61/70/313216170.db2.gz VIAHXAARMKUFES-NVXWUHKLSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2CC[NH+]2C2CCCCC2)CC[N@H+]1C ZINC000527949851 313219134 /nfs/dbraw/zinc/21/91/34/313219134.db2.gz OGIJUKDXSLUUSF-HLLBOEOZSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+]2C2CCCCC2)CC[NH+]1C ZINC000527949851 313219136 /nfs/dbraw/zinc/21/91/36/313219136.db2.gz OGIJUKDXSLUUSF-HLLBOEOZSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2CC[N@H+]2C2CCCCC2)CC[NH+]1C ZINC000527949851 313219140 /nfs/dbraw/zinc/21/91/40/313219140.db2.gz OGIJUKDXSLUUSF-HLLBOEOZSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]([NH2+]CC1COC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528024865 313227593 /nfs/dbraw/zinc/22/75/93/313227593.db2.gz KYZWOKDUGGVKFE-RHSMWYFYSA-N 2 1 274.408 2.133 20 0 CEADMP COc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1OC ZINC000532475035 313349611 /nfs/dbraw/zinc/34/96/11/313349611.db2.gz SZALGHLKCZNJAA-HIFRSBDPSA-N 2 1 292.423 2.319 20 0 CEADMP CCc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)s1 ZINC000569857026 314018474 /nfs/dbraw/zinc/01/84/74/314018474.db2.gz QYFDTAWQKOTQMT-UHFFFAOYSA-N 2 1 295.496 2.380 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000570320932 314032971 /nfs/dbraw/zinc/03/29/71/314032971.db2.gz OXSPJSSIRDFYEI-UONOGXRCSA-N 2 1 276.380 2.207 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CCCC[C@H]1O)CC[NH2+]CC2 ZINC000571453716 314091389 /nfs/dbraw/zinc/09/13/89/314091389.db2.gz ZOEDEGSXZMYTLE-RBSFLKMASA-N 2 1 266.429 2.002 20 0 CEADMP CCC[N@H+](CC)Cc1ccc(-c2nc(C[NH3+])no2)cc1 ZINC000575123056 314207490 /nfs/dbraw/zinc/20/74/90/314207490.db2.gz RLGSHCVXDQFLKQ-UHFFFAOYSA-N 2 1 274.368 2.427 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(-c2nc(C[NH3+])no2)cc1 ZINC000575123056 314207492 /nfs/dbraw/zinc/20/74/92/314207492.db2.gz RLGSHCVXDQFLKQ-UHFFFAOYSA-N 2 1 274.368 2.427 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1C ZINC000575135065 314208938 /nfs/dbraw/zinc/20/89/38/314208938.db2.gz QYAPKUHTAGSMEG-QZTJIDSGSA-N 2 1 290.451 2.315 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000575135065 314208942 /nfs/dbraw/zinc/20/89/42/314208942.db2.gz QYAPKUHTAGSMEG-QZTJIDSGSA-N 2 1 290.451 2.315 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000575135065 314208944 /nfs/dbraw/zinc/20/89/44/314208944.db2.gz QYAPKUHTAGSMEG-QZTJIDSGSA-N 2 1 290.451 2.315 20 0 CEADMP C[C@H](O)C[N@H+](CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000576170008 314249442 /nfs/dbraw/zinc/24/94/42/314249442.db2.gz ZPBMOWXVOXCWIQ-AWEZNQCLSA-N 2 1 279.428 2.368 20 0 CEADMP C[C@H](O)C[N@@H+](CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000576170008 314249445 /nfs/dbraw/zinc/24/94/45/314249445.db2.gz ZPBMOWXVOXCWIQ-AWEZNQCLSA-N 2 1 279.428 2.368 20 0 CEADMP Cc1ccccc1CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000576466074 314278487 /nfs/dbraw/zinc/27/84/87/314278487.db2.gz NDIGMOPHFNNOED-IRXDYDNUSA-N 2 1 258.409 2.469 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OC ZINC000576526981 314284451 /nfs/dbraw/zinc/28/44/51/314284451.db2.gz MFWXQURDMLFUDU-GXTWGEPZSA-N 2 1 278.396 2.406 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OC ZINC000576526981 314284455 /nfs/dbraw/zinc/28/44/55/314284455.db2.gz MFWXQURDMLFUDU-GXTWGEPZSA-N 2 1 278.396 2.406 20 0 CEADMP C[C@@H](C[NH+](C)C)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000576887298 314320447 /nfs/dbraw/zinc/32/04/47/314320447.db2.gz ZLACTAJKMNYFCH-FZMZJTMJSA-N 2 1 297.830 2.009 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000576988275 314329985 /nfs/dbraw/zinc/32/99/85/314329985.db2.gz QDSBZLYLEBRMKD-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000577295486 314362122 /nfs/dbraw/zinc/36/21/22/314362122.db2.gz WWECWPDGSDNCSN-XUWVNRHRSA-N 2 1 279.472 2.499 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000577295486 314362124 /nfs/dbraw/zinc/36/21/24/314362124.db2.gz WWECWPDGSDNCSN-XUWVNRHRSA-N 3 1 279.472 2.499 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000577295486 314362128 /nfs/dbraw/zinc/36/21/28/314362128.db2.gz WWECWPDGSDNCSN-XUWVNRHRSA-N 3 1 279.472 2.499 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC000580516941 322322445 /nfs/dbraw/zinc/32/24/45/322322445.db2.gz ROCIVBGTVRVLTR-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000580564300 322327216 /nfs/dbraw/zinc/32/72/16/322327216.db2.gz RPOJIRXTIQRZRG-CYBMUJFWSA-N 2 1 251.399 2.191 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000580564300 322327218 /nfs/dbraw/zinc/32/72/18/322327218.db2.gz RPOJIRXTIQRZRG-CYBMUJFWSA-N 2 1 251.399 2.191 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)c1ccccc1 ZINC000581437417 322396711 /nfs/dbraw/zinc/39/67/11/322396711.db2.gz LFYNYLVGWDDODR-HOCLYGCPSA-N 2 1 264.413 2.035 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)c1ccccc1 ZINC000581437417 322396713 /nfs/dbraw/zinc/39/67/13/322396713.db2.gz LFYNYLVGWDDODR-HOCLYGCPSA-N 2 1 264.413 2.035 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H](C)c1ccccc1 ZINC000581437417 322396715 /nfs/dbraw/zinc/39/67/15/322396715.db2.gz LFYNYLVGWDDODR-HOCLYGCPSA-N 2 1 264.413 2.035 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000581437417 322396717 /nfs/dbraw/zinc/39/67/17/322396717.db2.gz LFYNYLVGWDDODR-HOCLYGCPSA-N 2 1 264.413 2.035 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cncnc1C ZINC000583214935 322532424 /nfs/dbraw/zinc/53/24/24/322532424.db2.gz WBXTZTAOXVUQDE-VXGBXAGGSA-N 2 1 273.384 2.277 20 0 CEADMP CO[C@]1(C)C[C@@H]([N@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000584239607 327106573 /nfs/dbraw/zinc/10/65/73/327106573.db2.gz GWMMODLUJRSUJK-GDBMZVCRSA-N 2 1 279.428 2.488 20 0 CEADMP CO[C@]1(C)C[C@@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000584239607 327106574 /nfs/dbraw/zinc/10/65/74/327106574.db2.gz GWMMODLUJRSUJK-GDBMZVCRSA-N 2 1 279.428 2.488 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN(CCc1ccc(F)cc1)C1CC1 ZINC000584239849 327111893 /nfs/dbraw/zinc/11/18/93/327111893.db2.gz OGOAWUWHMHIGKP-QGZVFWFLSA-N 2 1 294.414 2.145 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000584239849 327111895 /nfs/dbraw/zinc/11/18/95/327111895.db2.gz OGOAWUWHMHIGKP-QGZVFWFLSA-N 2 1 294.414 2.145 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000584239849 327111896 /nfs/dbraw/zinc/11/18/96/327111896.db2.gz OGOAWUWHMHIGKP-QGZVFWFLSA-N 2 1 294.414 2.145 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](CCc1ccc(F)cc1)C1CC1 ZINC000584239849 327111898 /nfs/dbraw/zinc/11/18/98/327111898.db2.gz OGOAWUWHMHIGKP-QGZVFWFLSA-N 2 1 294.414 2.145 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CCc1ccc(F)cc1)C1CC1 ZINC000584239849 327111900 /nfs/dbraw/zinc/11/19/00/327111900.db2.gz OGOAWUWHMHIGKP-QGZVFWFLSA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000584239849 327111901 /nfs/dbraw/zinc/11/19/01/327111901.db2.gz OGOAWUWHMHIGKP-QGZVFWFLSA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000584239849 327111903 /nfs/dbraw/zinc/11/19/03/327111903.db2.gz OGOAWUWHMHIGKP-QGZVFWFLSA-N 2 1 294.414 2.145 20 0 CEADMP CC1=CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000560478517 327313005 /nfs/dbraw/zinc/31/30/05/327313005.db2.gz TVYQCJINOVUDHB-HOTGVXAUSA-N 2 1 266.429 2.312 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000067574560 519608823 /nfs/dbraw/zinc/60/88/23/519608823.db2.gz DCTHIPLPKRGRRD-IYBDPMFKSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)[NH+](C)CC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000067574560 519608831 /nfs/dbraw/zinc/60/88/31/519608831.db2.gz DCTHIPLPKRGRRD-IYBDPMFKSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)[NH+](C)CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000067574560 519608836 /nfs/dbraw/zinc/60/88/36/519608836.db2.gz DCTHIPLPKRGRRD-IYBDPMFKSA-N 2 1 297.487 2.201 20 0 CEADMP Cc1cn[nH]c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000356127570 533991986 /nfs/dbraw/zinc/99/19/86/533991986.db2.gz WQYNSHBVMLVZNL-UHFFFAOYSA-N 2 1 264.417 2.272 20 0 CEADMP CC(C)(C)OCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150831949 518874441 /nfs/dbraw/zinc/87/44/41/518874441.db2.gz VUBHYRSVJNTPIM-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000354875790 519855873 /nfs/dbraw/zinc/85/58/73/519855873.db2.gz AYRJAJLRYXCHEO-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000365189092 520605385 /nfs/dbraw/zinc/60/53/85/520605385.db2.gz JHHWCAIRMILPCD-INIZCTEOSA-N 2 1 278.444 2.470 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000365189092 520605392 /nfs/dbraw/zinc/60/53/92/520605392.db2.gz JHHWCAIRMILPCD-INIZCTEOSA-N 2 1 278.444 2.470 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN(c2cccc(-n3cc[nH+]c3C)n2)C1 ZINC000363721016 520848417 /nfs/dbraw/zinc/84/84/17/520848417.db2.gz IYVLORDBIVHOLZ-OAHLLOKOSA-N 2 1 299.422 2.496 20 0 CEADMP CC[C@H]1CO[C@@H](C)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000050953197 523343999 /nfs/dbraw/zinc/34/39/99/523343999.db2.gz DEQONMJTEIQETF-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP COc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000158036702 524069286 /nfs/dbraw/zinc/06/92/86/524069286.db2.gz RUCATVLEQHEQLP-UHFFFAOYSA-N 2 1 277.412 2.489 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000417916753 534768799 /nfs/dbraw/zinc/76/87/99/534768799.db2.gz AFTCRESEDSPZHX-ZDUSSCGKSA-N 2 1 251.374 2.129 20 0 CEADMP Cc1ccccc1-c1cccc(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000415061082 534791304 /nfs/dbraw/zinc/79/13/04/534791304.db2.gz VPOWDZSRMAPHFB-QGZVFWFLSA-N 2 1 284.403 2.413 20 0 CEADMP Cc1cc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc[nH+]1 ZINC000364910969 526111264 /nfs/dbraw/zinc/11/12/64/526111264.db2.gz WQIVBJINCFLKSX-PBHICJAKSA-N 2 1 299.422 2.040 20 0 CEADMP O[C@H](C[NH2+][C@H]1CCCc2sccc21)C[NH+]1CCCC1 ZINC000061362273 526280828 /nfs/dbraw/zinc/28/08/28/526280828.db2.gz UEHIGXFKZHUPLB-OCCSQVGLSA-N 2 1 280.437 2.172 20 0 CEADMP [NH3+]CCCCCC[NH+]1CCN(C2CCCC2)CC1 ZINC000052063763 527173903 /nfs/dbraw/zinc/17/39/03/527173903.db2.gz OTZPPLKTLWQLKY-UHFFFAOYSA-N 2 1 253.434 2.066 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000363459905 527409490 /nfs/dbraw/zinc/40/94/90/527409490.db2.gz TXCGDNIHCIROBU-UHFFFAOYSA-N 2 1 273.384 2.184 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC[NH+]1CC=C(C(C)(C)C)CC1 ZINC000354881563 527817530 /nfs/dbraw/zinc/81/75/30/527817530.db2.gz KBELXJMPWIPQNI-UHFFFAOYSA-N 2 1 295.471 2.123 20 0 CEADMP CCC[NH+](C)CC(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000354881563 527817535 /nfs/dbraw/zinc/81/75/35/527817535.db2.gz KBELXJMPWIPQNI-UHFFFAOYSA-N 2 1 295.471 2.123 20 0 CEADMP CCC[NH+](C)CC(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000354881563 527817543 /nfs/dbraw/zinc/81/75/43/527817543.db2.gz KBELXJMPWIPQNI-UHFFFAOYSA-N 2 1 295.471 2.123 20 0 CEADMP CC(C)C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C(C)C ZINC000043402276 527953932 /nfs/dbraw/zinc/95/39/32/527953932.db2.gz MYVIMYLEQLMSPO-UHFFFAOYSA-N 2 1 254.378 2.130 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357108418 528436128 /nfs/dbraw/zinc/43/61/28/528436128.db2.gz ULRHSVCVBFHLOI-HUUCEWRRSA-N 2 1 290.407 2.135 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357108418 528436131 /nfs/dbraw/zinc/43/61/31/528436131.db2.gz ULRHSVCVBFHLOI-HUUCEWRRSA-N 2 1 290.407 2.135 20 0 CEADMP CC(C)[NH+]1CCC([N@H+](C)Cc2c[nH]c3nccnc23)CC1 ZINC000356050574 528990309 /nfs/dbraw/zinc/99/03/09/528990309.db2.gz FXXVECJOZFSJAC-UHFFFAOYSA-N 2 1 287.411 2.214 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2c[nH]c3nccnc23)CC1 ZINC000356050574 528990314 /nfs/dbraw/zinc/99/03/14/528990314.db2.gz FXXVECJOZFSJAC-UHFFFAOYSA-N 2 1 287.411 2.214 20 0 CEADMP CC[C@@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000412391874 529352057 /nfs/dbraw/zinc/35/20/57/529352057.db2.gz MKCOIEBMVBSGFP-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000731869455 574604957 /nfs/dbraw/zinc/60/49/57/574604957.db2.gz IDHOEHJBMGFMTM-MRXNPFEDSA-N 2 1 297.487 2.347 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000731869455 574604958 /nfs/dbraw/zinc/60/49/58/574604958.db2.gz IDHOEHJBMGFMTM-MRXNPFEDSA-N 2 1 297.487 2.347 20 0 CEADMP CC(C)(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000753723664 575337677 /nfs/dbraw/zinc/33/76/77/575337677.db2.gz OTZARUOYMCINNQ-AWEZNQCLSA-N 2 1 266.429 2.409 20 0 CEADMP CC(C)(C)C(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000753723664 575337680 /nfs/dbraw/zinc/33/76/80/575337680.db2.gz OTZARUOYMCINNQ-AWEZNQCLSA-N 2 1 266.429 2.409 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCOC(F)(F)F)C2 ZINC000878662890 651157026 /nfs/dbraw/zinc/15/70/26/651157026.db2.gz SSHNIEBPAOXSKH-LBPRGKRZSA-N 2 1 280.334 2.331 20 0 CEADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCOC(F)(F)F)C2 ZINC000878662888 651157478 /nfs/dbraw/zinc/15/74/78/651157478.db2.gz SSHNIEBPAOXSKH-GFCCVEGCSA-N 2 1 280.334 2.331 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCOC(F)(F)F)C2 ZINC000878662888 651157479 /nfs/dbraw/zinc/15/74/79/651157479.db2.gz SSHNIEBPAOXSKH-GFCCVEGCSA-N 2 1 280.334 2.331 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCOC(F)(F)F)C2 ZINC000878662888 651157480 /nfs/dbraw/zinc/15/74/80/651157480.db2.gz SSHNIEBPAOXSKH-GFCCVEGCSA-N 2 1 280.334 2.331 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCOC(F)(F)F)C2 ZINC000878662888 651157481 /nfs/dbraw/zinc/15/74/81/651157481.db2.gz SSHNIEBPAOXSKH-GFCCVEGCSA-N 2 1 280.334 2.331 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC000960789822 614264451 /nfs/dbraw/zinc/26/44/51/614264451.db2.gz YKHNHOFMGMLCGG-OAHLLOKOSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980491471 614547704 /nfs/dbraw/zinc/54/77/04/614547704.db2.gz VNABBMISCJAREO-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948553634 614656993 /nfs/dbraw/zinc/65/69/93/614656993.db2.gz JIGDMKQKTOZVSH-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000948553634 614656996 /nfs/dbraw/zinc/65/69/96/614656996.db2.gz JIGDMKQKTOZVSH-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000948553634 614656999 /nfs/dbraw/zinc/65/69/99/614656999.db2.gz JIGDMKQKTOZVSH-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CC)CC1 ZINC000948424454 614659373 /nfs/dbraw/zinc/65/93/73/614659373.db2.gz IRNZSLXGNPHVLT-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC)CC1 ZINC000948424454 614659374 /nfs/dbraw/zinc/65/93/74/614659374.db2.gz IRNZSLXGNPHVLT-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC)CC1 ZINC000948424454 614659375 /nfs/dbraw/zinc/65/93/75/614659375.db2.gz IRNZSLXGNPHVLT-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1C[NH+](C(C)C)C1 ZINC000952402501 614668649 /nfs/dbraw/zinc/66/86/49/614668649.db2.gz XMVBROMILJUOHZ-MRXNPFEDSA-N 2 1 295.471 2.190 20 0 CEADMP CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C1C[NH+](C(C)C)C1 ZINC000952402501 614668651 /nfs/dbraw/zinc/66/86/51/614668651.db2.gz XMVBROMILJUOHZ-MRXNPFEDSA-N 2 1 295.471 2.190 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)C(C)C ZINC000960662589 614677356 /nfs/dbraw/zinc/67/73/56/614677356.db2.gz CFTUVZWQYPZJGP-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)C(C)C ZINC000960662589 614677360 /nfs/dbraw/zinc/67/73/60/614677360.db2.gz CFTUVZWQYPZJGP-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)C(C)C ZINC000960662589 614677363 /nfs/dbraw/zinc/67/73/63/614677363.db2.gz CFTUVZWQYPZJGP-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC)C1 ZINC000970450738 614980596 /nfs/dbraw/zinc/98/05/96/614980596.db2.gz HIATWKQUULDVEE-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000981363254 615115781 /nfs/dbraw/zinc/11/57/81/615115781.db2.gz GAPIPJNUFIYDKR-KGLIPLIRSA-N 2 1 292.427 2.043 20 0 CEADMP CC[C@@H](C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000950628325 615434486 /nfs/dbraw/zinc/43/44/86/615434486.db2.gz UNTGQBIANKQIFK-ZBFHGGJFSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)C(C)C)CC[N@H+]1C ZINC000960645280 615584166 /nfs/dbraw/zinc/58/41/66/615584166.db2.gz TXRVSXCGQVBLPP-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@H+](C)C(C)C)CC[NH+]1C ZINC000960645280 615584167 /nfs/dbraw/zinc/58/41/67/615584167.db2.gz TXRVSXCGQVBLPP-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@@H+](C)C(C)C)CC[NH+]1C ZINC000960645280 615584168 /nfs/dbraw/zinc/58/41/68/615584168.db2.gz TXRVSXCGQVBLPP-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(NC[C@@H]3CCC[N@H+](C)C3)c12 ZINC000892421477 625341585 /nfs/dbraw/zinc/34/15/85/625341585.db2.gz KXFRZPLJMXWTSR-NSHDSACASA-N 2 1 273.384 2.226 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(NC[C@@H]3CCC[N@@H+](C)C3)c12 ZINC000892421477 625341592 /nfs/dbraw/zinc/34/15/92/625341592.db2.gz KXFRZPLJMXWTSR-NSHDSACASA-N 2 1 273.384 2.226 20 0 CEADMP C[C@H]1[C@H](C)OC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000926637128 625590379 /nfs/dbraw/zinc/59/03/79/625590379.db2.gz ZLLCWOYEVPTVCZ-VGAPYMQISA-N 2 1 288.435 2.345 20 0 CEADMP CC[NH+](CC)CCCN1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000933252078 623557802 /nfs/dbraw/zinc/55/78/02/623557802.db2.gz PQELIRFDFYIXBW-INIZCTEOSA-N 2 1 269.477 2.380 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308361141 623674008 /nfs/dbraw/zinc/67/40/08/623674008.db2.gz GQXAVUKQRDRLJD-MJBXVCDLSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308361141 623674011 /nfs/dbraw/zinc/67/40/11/623674011.db2.gz GQXAVUKQRDRLJD-MJBXVCDLSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cc1cccnc1 ZINC000934234760 624349166 /nfs/dbraw/zinc/34/91/66/624349166.db2.gz QMDVQPVRAFISSF-ZDUSSCGKSA-N 2 1 258.369 2.197 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2c(F)cc(F)cc2F)C1 ZINC000848719626 624406758 /nfs/dbraw/zinc/40/67/58/624406758.db2.gz AHEXZWGFICRDRX-UWVGGRQHSA-N 2 1 258.287 2.463 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCOC12CCCC2 ZINC000934386769 624460144 /nfs/dbraw/zinc/46/01/44/624460144.db2.gz QNVLXNITJWGWNC-ZIAGYGMSSA-N 2 1 252.402 2.162 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C2CC2)C1 ZINC000782191627 625053277 /nfs/dbraw/zinc/05/32/77/625053277.db2.gz XXUXENFAUAXHEH-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023761991 625202150 /nfs/dbraw/zinc/20/21/50/625202150.db2.gz OOHAEPKWONRQDB-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001023761991 625202154 /nfs/dbraw/zinc/20/21/54/625202154.db2.gz OOHAEPKWONRQDB-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023761991 625202159 /nfs/dbraw/zinc/20/21/59/625202159.db2.gz OOHAEPKWONRQDB-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820804910 634532993 /nfs/dbraw/zinc/53/29/93/634532993.db2.gz BXXNUVHNSUYZBB-VHRNVKJDSA-N 2 1 265.445 2.076 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(NC1CC[NH+](C3CC3)CC1)C2 ZINC000820806728 634533645 /nfs/dbraw/zinc/53/36/45/634533645.db2.gz POZNTHPQFVGXHD-DODVFSASSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000820806728 634533650 /nfs/dbraw/zinc/53/36/50/634533650.db2.gz POZNTHPQFVGXHD-DODVFSASSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000820806728 634533655 /nfs/dbraw/zinc/53/36/55/634533655.db2.gz POZNTHPQFVGXHD-DODVFSASSA-N 2 1 289.467 2.361 20 0 CEADMP CCn1cnnc1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820807760 634533821 /nfs/dbraw/zinc/53/38/21/634533821.db2.gz QLMPQCRQURGSAN-CYBMUJFWSA-N 2 1 287.411 2.210 20 0 CEADMP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000892569470 627278201 /nfs/dbraw/zinc/27/82/01/627278201.db2.gz AAKSAICYQCGINQ-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)[N@H+]1CCCC[C@H]1C ZINC000892569470 627278205 /nfs/dbraw/zinc/27/82/05/627278205.db2.gz AAKSAICYQCGINQ-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000892592241 627296595 /nfs/dbraw/zinc/29/65/95/627296595.db2.gz PPRLUPPVRYERMS-ZNMIVQPWSA-N 2 1 284.444 2.096 20 0 CEADMP c1cn2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)sc2n1 ZINC000892606365 627305515 /nfs/dbraw/zinc/30/55/15/627305515.db2.gz AGLOHCYZJAHZAJ-NWDGAFQWSA-N 2 1 276.409 2.112 20 0 CEADMP c1cn2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)sc2n1 ZINC000892606365 627305517 /nfs/dbraw/zinc/30/55/17/627305517.db2.gz AGLOHCYZJAHZAJ-NWDGAFQWSA-N 2 1 276.409 2.112 20 0 CEADMP C(CN[C@H]1CCC[N@H+]2CCCC[C@@H]12)C[NH+]1CCCCC1 ZINC000924578981 627313462 /nfs/dbraw/zinc/31/34/62/627313462.db2.gz SITNLVARXJMESK-IRXDYDNUSA-N 2 1 279.472 2.469 20 0 CEADMP C(C[NH2+][C@H]1CCCN2CCCC[C@@H]12)C[NH+]1CCCCC1 ZINC000924578981 627313464 /nfs/dbraw/zinc/31/34/64/627313464.db2.gz SITNLVARXJMESK-IRXDYDNUSA-N 2 1 279.472 2.469 20 0 CEADMP C[C@H](C[NH2+]Cc1cn2ccnc2s1)C[NH+]1CCCC1 ZINC000892624100 627321172 /nfs/dbraw/zinc/32/11/72/627321172.db2.gz ZFPJFRRUACRFKC-GFCCVEGCSA-N 2 1 278.425 2.217 20 0 CEADMP C[C@@H](C[NH2+]Cc1cn2ccnc2s1)C[NH+]1CCCC1 ZINC000892624101 627321454 /nfs/dbraw/zinc/32/14/54/627321454.db2.gz ZFPJFRRUACRFKC-LBPRGKRZSA-N 2 1 278.425 2.217 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(C)c2C2CC2)C1 ZINC000892668501 627377089 /nfs/dbraw/zinc/37/70/89/627377089.db2.gz NARFAMIJNWCWAZ-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(C)c2C2CC2)C1 ZINC000892668501 627377092 /nfs/dbraw/zinc/37/70/92/627377092.db2.gz NARFAMIJNWCWAZ-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(CC)nc2C)C1 ZINC000892668916 627378631 /nfs/dbraw/zinc/37/86/31/627378631.db2.gz UHGOKXMPDUSHBP-AWEZNQCLSA-N 2 1 264.417 2.033 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(CC)nc2C)C1 ZINC000892668916 627378639 /nfs/dbraw/zinc/37/86/39/627378639.db2.gz UHGOKXMPDUSHBP-AWEZNQCLSA-N 2 1 264.417 2.033 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cn3ccsc3n2)C1 ZINC000902316281 634580014 /nfs/dbraw/zinc/58/00/14/634580014.db2.gz BOOIYVISNCTXCW-LLVKDONJSA-N 2 1 278.425 2.264 20 0 CEADMP Cc1noc(C)c1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166811069 627647098 /nfs/dbraw/zinc/64/70/98/627647098.db2.gz VTNXLCQUUKLTLX-LSDHHAIUSA-N 2 1 277.412 2.440 20 0 CEADMP [NH3+]CCCCCCCN1CC[NH+](C2CCC2)CC1 ZINC000328390052 627881111 /nfs/dbraw/zinc/88/11/11/627881111.db2.gz JWHRZOYHKWMHFA-UHFFFAOYSA-N 2 1 253.434 2.066 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC2SCCS2)C1 ZINC000853023146 627923178 /nfs/dbraw/zinc/92/31/78/627923178.db2.gz OIEBFQXRQONZPP-QWRGUYRKSA-N 2 1 260.472 2.242 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC(C)(O)CC1 ZINC000893031411 627956448 /nfs/dbraw/zinc/95/64/48/627956448.db2.gz YJIVWXMZOWJCSR-UHFFFAOYSA-N 2 1 265.401 2.255 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925503390 627996007 /nfs/dbraw/zinc/99/60/07/627996007.db2.gz NBDJZDPPZKNMKY-RBSFLKMASA-N 2 1 267.461 2.227 20 0 CEADMP CC[S@](=O)[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000893099211 628003948 /nfs/dbraw/zinc/00/39/48/628003948.db2.gz XWMIPRHBBDIXEM-ZXTMUDNASA-N 2 1 298.496 2.281 20 0 CEADMP CC[S@](=O)[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000893099211 628003953 /nfs/dbraw/zinc/00/39/53/628003953.db2.gz XWMIPRHBBDIXEM-ZXTMUDNASA-N 2 1 298.496 2.281 20 0 CEADMP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925517376 628062867 /nfs/dbraw/zinc/06/28/67/628062867.db2.gz GHKJAZXEFNFJIZ-MRXNPFEDSA-N 2 1 274.408 2.420 20 0 CEADMP CN(C[C@H]([NH3+])CC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309901150 628118529 /nfs/dbraw/zinc/11/85/29/628118529.db2.gz IIANKZCTQJHMSA-HUUCEWRRSA-N 2 1 297.393 2.175 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394117 634633837 /nfs/dbraw/zinc/63/38/37/634633837.db2.gz WHFQTRDGAVGPMO-HNNXBMFYSA-N 3 1 269.477 2.332 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394117 634633840 /nfs/dbraw/zinc/63/38/40/634633840.db2.gz WHFQTRDGAVGPMO-HNNXBMFYSA-N 3 1 269.477 2.332 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902394117 634633843 /nfs/dbraw/zinc/63/38/43/634633843.db2.gz WHFQTRDGAVGPMO-HNNXBMFYSA-N 3 1 269.477 2.332 20 0 CEADMP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)N1CCCCCC1 ZINC000925544631 628182190 /nfs/dbraw/zinc/18/21/90/628182190.db2.gz TYDNDEZIVUAPJJ-OAHLLOKOSA-N 2 1 293.455 2.043 20 0 CEADMP COc1ccc2[nH+]ccc(N[C@H]3CCn4cc[nH+]c4C3)c2c1 ZINC000893265053 628209376 /nfs/dbraw/zinc/20/93/76/628209376.db2.gz KQNHMBPWFCTRDI-LBPRGKRZSA-N 2 1 294.358 2.289 20 0 CEADMP CC(C)c1nc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cs1 ZINC000925565107 628235791 /nfs/dbraw/zinc/23/57/91/628235791.db2.gz OXYITOYIMPBGHS-RCZQDCHWSA-N 2 1 291.464 2.395 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)C3CC3)CC2)CC1 ZINC000930752068 628261153 /nfs/dbraw/zinc/26/11/53/628261153.db2.gz RMHGXJUGHIOVOX-OAHLLOKOSA-N 2 1 279.472 2.277 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC000925586808 628265810 /nfs/dbraw/zinc/26/58/10/628265810.db2.gz FQWKPOKXASKNJT-LSDHHAIUSA-N 2 1 270.461 2.351 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000925616977 628303439 /nfs/dbraw/zinc/30/34/39/628303439.db2.gz OWDMRECHTUAKMG-XHSDSOJGSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@@H]([NH3+])[C@H]([NH2+]CCCC(C)(C)CO)c1ccccc1 ZINC000925624112 628317497 /nfs/dbraw/zinc/31/74/97/628317497.db2.gz VGHPGVSFVRFZBT-HIFRSBDPSA-N 2 1 264.413 2.463 20 0 CEADMP CN(C)C1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCC1 ZINC000925643643 628341327 /nfs/dbraw/zinc/34/13/27/628341327.db2.gz GQOCESSLYICMOQ-HZPDHXFCSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)C1CCOCC1 ZINC000902428856 634650397 /nfs/dbraw/zinc/65/03/97/634650397.db2.gz BKRXEKXEPRNMQW-JSGCOSHPSA-N 2 1 254.418 2.027 20 0 CEADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192043454 628370567 /nfs/dbraw/zinc/37/05/67/628370567.db2.gz DNPFHJIYIQKDGT-CABCVRRESA-N 2 1 294.439 2.278 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192043454 628370571 /nfs/dbraw/zinc/37/05/71/628370571.db2.gz DNPFHJIYIQKDGT-CABCVRRESA-N 2 1 294.439 2.278 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192043454 628370575 /nfs/dbraw/zinc/37/05/75/628370575.db2.gz DNPFHJIYIQKDGT-CABCVRRESA-N 2 1 294.439 2.278 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192043454 628370577 /nfs/dbraw/zinc/37/05/77/628370577.db2.gz DNPFHJIYIQKDGT-CABCVRRESA-N 2 1 294.439 2.278 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925676655 628464960 /nfs/dbraw/zinc/46/49/60/628464960.db2.gz OOYKDKPFVMNHOQ-LSDHHAIUSA-N 2 1 267.461 2.371 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925676654 628465312 /nfs/dbraw/zinc/46/53/12/628465312.db2.gz OOYKDKPFVMNHOQ-HUUCEWRRSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000925696856 628531306 /nfs/dbraw/zinc/53/13/06/628531306.db2.gz BOPQCBGWYJTQAT-ZFWWWQNUSA-N 3 1 261.413 2.054 20 0 CEADMP C[C@H]([NH3+])[C@H](NCC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000925696856 628531307 /nfs/dbraw/zinc/53/13/07/628531307.db2.gz BOPQCBGWYJTQAT-ZFWWWQNUSA-N 2 1 261.413 2.054 20 0 CEADMP [NH3+]C1(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000902413482 634662992 /nfs/dbraw/zinc/66/29/92/634662992.db2.gz MRJLNUAVZXDYHV-OKZBNKHCSA-N 2 1 299.462 2.368 20 0 CEADMP CCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC000893386411 628545029 /nfs/dbraw/zinc/54/50/29/628545029.db2.gz CAXICTKFUMDSPU-AGUYFDCRSA-N 2 1 252.402 2.160 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccccc1 ZINC000931438951 628580371 /nfs/dbraw/zinc/58/03/71/628580371.db2.gz RAMNUUYKOITQDA-GVDBMIGSSA-N 2 1 274.408 2.258 20 0 CEADMP CO[C@H](C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccccc1 ZINC000931438951 628580374 /nfs/dbraw/zinc/58/03/74/628580374.db2.gz RAMNUUYKOITQDA-GVDBMIGSSA-N 2 1 274.408 2.258 20 0 CEADMP CO[C@H](C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)c1ccccc1 ZINC000931438951 628580376 /nfs/dbraw/zinc/58/03/76/628580376.db2.gz RAMNUUYKOITQDA-GVDBMIGSSA-N 2 1 274.408 2.258 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(CC)CC ZINC000902475342 634666798 /nfs/dbraw/zinc/66/67/98/634666798.db2.gz IWNUZJNMEZAXAU-SEBNEYGDSA-N 2 1 266.429 2.453 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[NH2+][C@H]3C)C2)cc1 ZINC000925723499 628607039 /nfs/dbraw/zinc/60/70/39/628607039.db2.gz WOIMZTCTJLENGN-RYQLBKOJSA-N 2 1 287.451 2.299 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)[C@@H]1CCCC[NH2+]1 ZINC000925734328 628692461 /nfs/dbraw/zinc/69/24/61/628692461.db2.gz QPTDWUVYMTVANC-OAGGEKHMSA-N 2 1 296.455 2.082 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)c1c[nH+]ccc1N ZINC000902462111 634681577 /nfs/dbraw/zinc/68/15/77/634681577.db2.gz SVTJNIOZGMUEAB-NEPJUHHUSA-N 2 1 263.385 2.492 20 0 CEADMP CCOc1ccc(CC[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000258997979 628787569 /nfs/dbraw/zinc/78/75/69/628787569.db2.gz WKFFEDDTNSVKHH-OAHLLOKOSA-N 2 1 262.397 2.169 20 0 CEADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925798646 628845373 /nfs/dbraw/zinc/84/53/73/628845373.db2.gz RLCKJQKZJZNZOC-KFWWJZLASA-N 2 1 266.429 2.313 20 0 CEADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1c[nH+]ccc1N ZINC000925831231 628925013 /nfs/dbraw/zinc/92/50/13/628925013.db2.gz IXVXKCWTSUJJTN-NILFDRSVSA-N 2 1 261.369 2.104 20 0 CEADMP Cc1nc2c(cccc2CCN[C@@H]2C[NH2+]CC[C@@H]2C)o1 ZINC000925840788 628944187 /nfs/dbraw/zinc/94/41/87/628944187.db2.gz XEMAOVQMOGPIGW-SMDDNHRTSA-N 2 1 273.380 2.266 20 0 CEADMP Cc1nc2c(cccc2CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)o1 ZINC000925840788 628944191 /nfs/dbraw/zinc/94/41/91/628944191.db2.gz XEMAOVQMOGPIGW-SMDDNHRTSA-N 2 1 273.380 2.266 20 0 CEADMP C[C@H]([NH2+]CCc1cccc2c1OCCO2)[C@@H]1CCCC[NH2+]1 ZINC000925874032 628973444 /nfs/dbraw/zinc/97/34/44/628973444.db2.gz GSCUJUHHVXAIOO-ZFWWWQNUSA-N 2 1 290.407 2.121 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000902514536 634709135 /nfs/dbraw/zinc/70/91/35/634709135.db2.gz PGMBDGFKNCXINZ-KBPBESRZSA-N 2 1 272.396 2.392 20 0 CEADMP CCN1CCC([N@H+](C)Cc2cnc3onc(C)c3c2)CC1 ZINC000893918122 629045727 /nfs/dbraw/zinc/04/57/27/629045727.db2.gz HCWDNZQUECJJHF-UHFFFAOYSA-N 2 1 288.395 2.447 20 0 CEADMP CCN1CCC([N@@H+](C)Cc2cnc3onc(C)c3c2)CC1 ZINC000893918122 629045729 /nfs/dbraw/zinc/04/57/29/629045729.db2.gz HCWDNZQUECJJHF-UHFFFAOYSA-N 2 1 288.395 2.447 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC000927770644 629188236 /nfs/dbraw/zinc/18/82/36/629188236.db2.gz AITSFSDIRIBDNA-HNNXBMFYSA-N 2 1 275.396 2.265 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2COCC2(C)C)C1 ZINC000894183492 629196295 /nfs/dbraw/zinc/19/62/95/629196295.db2.gz UPPRZVAMUMLUAL-QLFBSQMISA-N 2 1 268.445 2.369 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc3onc(C)c3c2)C1 ZINC000894200246 629203446 /nfs/dbraw/zinc/20/34/46/629203446.db2.gz KLUHTJLUDCNQBM-ZDUSSCGKSA-N 2 1 288.395 2.353 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc3onc(C)c3c2)C1 ZINC000894200246 629203448 /nfs/dbraw/zinc/20/34/48/629203448.db2.gz KLUHTJLUDCNQBM-ZDUSSCGKSA-N 2 1 288.395 2.353 20 0 CEADMP C[NH+](C)C1CCC(Nc2nccn3c[nH+]cc23)CC1 ZINC000894247465 629253766 /nfs/dbraw/zinc/25/37/66/629253766.db2.gz XPTBHMWLNCUVRG-UHFFFAOYSA-N 2 1 259.357 2.014 20 0 CEADMP CC(C)n1nccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261835870 629265875 /nfs/dbraw/zinc/26/58/75/629265875.db2.gz JKVHNBHKMISALZ-NWANDNLSSA-N 2 1 262.401 2.023 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000924954014 629291339 /nfs/dbraw/zinc/29/13/39/629291339.db2.gz SNXALWBPAFBFCX-PVAVHDDUSA-N 3 1 290.455 2.434 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC000924954960 629292826 /nfs/dbraw/zinc/29/28/26/629292826.db2.gz YQPMPIYCRWJSAU-CHWSQXEVSA-N 2 1 290.415 2.351 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC000924959986 629297984 /nfs/dbraw/zinc/29/79/84/629297984.db2.gz NDBJHTJAPYTQEX-ZIAGYGMSSA-N 2 1 256.434 2.103 20 0 CEADMP Cc1noc2ncc(C[NH2+][C@@H]3CCC[C@@H]([NH+](C)C)C3)cc12 ZINC000894318098 629349328 /nfs/dbraw/zinc/34/93/28/629349328.db2.gz YMPYILDSAGTNFP-ZIAGYGMSSA-N 2 1 288.395 2.494 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000925009870 629350355 /nfs/dbraw/zinc/35/03/55/629350355.db2.gz IQJOYPQGEGYYFK-VQCLRJIVSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000925023096 629369682 /nfs/dbraw/zinc/36/96/82/629369682.db2.gz KSXRSWWXVJJEJF-QXSJWSMHSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000795087240 629431272 /nfs/dbraw/zinc/43/12/72/629431272.db2.gz SJSQYBWGCMIRFI-MAUKXSAKSA-N 2 1 297.402 2.326 20 0 CEADMP CO[C@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C12CCC2 ZINC000894753084 629621950 /nfs/dbraw/zinc/62/19/50/629621950.db2.gz ITJANQLPVOLEHL-GJZGRUSLSA-N 2 1 266.429 2.218 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894777861 629633155 /nfs/dbraw/zinc/63/31/55/629633155.db2.gz UFNKQOMXTKGSKR-UHFFFAOYSA-N 2 1 299.378 2.296 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894777861 629633160 /nfs/dbraw/zinc/63/31/60/629633160.db2.gz UFNKQOMXTKGSKR-UHFFFAOYSA-N 2 1 299.378 2.296 20 0 CEADMP COC(=O)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CC(C)C ZINC000894790703 629637329 /nfs/dbraw/zinc/63/73/29/629637329.db2.gz LKJCYPGESACLAG-SOUVJXGZSA-N 2 1 282.428 2.038 20 0 CEADMP CCOc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000894860983 629698519 /nfs/dbraw/zinc/69/85/19/629698519.db2.gz MLUXRXRGWQEEDM-CYBMUJFWSA-N 2 1 266.385 2.500 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CC1CC[NH+](C)CC1)CCOCC2 ZINC000895124515 629927351 /nfs/dbraw/zinc/92/73/51/629927351.db2.gz ZJYOBJHWTFWUPH-CQSZACIVSA-N 2 1 266.429 2.219 20 0 CEADMP CCC[NH+]1CCC([N@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192055814 629952301 /nfs/dbraw/zinc/95/23/01/629952301.db2.gz PQXLIQZUPWHSBB-OAHLLOKOSA-N 2 1 294.439 2.278 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192055814 629952303 /nfs/dbraw/zinc/95/23/03/629952303.db2.gz PQXLIQZUPWHSBB-OAHLLOKOSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnn(CCF)c1 ZINC000895508070 630222113 /nfs/dbraw/zinc/22/21/13/630222113.db2.gz DTDCJPPLVDETPJ-GDBMZVCRSA-N 2 1 296.434 2.405 20 0 CEADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnn(CCF)c1 ZINC000895508070 630222121 /nfs/dbraw/zinc/22/21/21/630222121.db2.gz DTDCJPPLVDETPJ-GDBMZVCRSA-N 2 1 296.434 2.405 20 0 CEADMP CCc1nn(C)cc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895555753 630247207 /nfs/dbraw/zinc/24/72/07/630247207.db2.gz CFLCBNYVQAHUOO-CQSZACIVSA-N 2 1 299.422 2.088 20 0 CEADMP CCc1nn(C)cc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895555753 630247210 /nfs/dbraw/zinc/24/72/10/630247210.db2.gz CFLCBNYVQAHUOO-CQSZACIVSA-N 2 1 299.422 2.088 20 0 CEADMP Cc1n[nH]c(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1C ZINC000895557629 630248592 /nfs/dbraw/zinc/24/85/92/630248592.db2.gz PRDMERNJGMMMHF-GFCCVEGCSA-N 2 1 285.395 2.132 20 0 CEADMP Cc1n[nH]c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1C ZINC000895557629 630248600 /nfs/dbraw/zinc/24/86/00/630248600.db2.gz PRDMERNJGMMMHF-GFCCVEGCSA-N 2 1 285.395 2.132 20 0 CEADMP C[N@H+]1CCCC[C@H](CNCc2cn3ccnc3s2)C1 ZINC000895587496 630262228 /nfs/dbraw/zinc/26/22/28/630262228.db2.gz WYHIGHXYARECBI-GFCCVEGCSA-N 2 1 278.425 2.217 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000895587496 630262231 /nfs/dbraw/zinc/26/22/31/630262231.db2.gz WYHIGHXYARECBI-GFCCVEGCSA-N 2 1 278.425 2.217 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000895587496 630262234 /nfs/dbraw/zinc/26/22/34/630262234.db2.gz WYHIGHXYARECBI-GFCCVEGCSA-N 2 1 278.425 2.217 20 0 CEADMP COc1cccc2c1C[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC000895635258 630277488 /nfs/dbraw/zinc/27/74/88/630277488.db2.gz SMIHXWKMVFPMKQ-UHFFFAOYSA-N 2 1 260.381 2.353 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCc3c(O)cccc3C2)CC1 ZINC000895637640 630285777 /nfs/dbraw/zinc/28/57/77/630285777.db2.gz XCRUDQDHGFSWIW-UHFFFAOYSA-N 2 1 260.381 2.092 20 0 CEADMP CN(C)Cc1cnc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)s1 ZINC000895848794 630375628 /nfs/dbraw/zinc/37/56/28/630375628.db2.gz ULXVKGNLSGBSJZ-JSGCOSHPSA-N 2 1 295.452 2.206 20 0 CEADMP CCC[NH+](CCC)CCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000896140435 630481032 /nfs/dbraw/zinc/48/10/32/630481032.db2.gz RYQBQBGRGVFGAS-KRWDZBQOSA-N 2 1 295.471 2.101 20 0 CEADMP CC(C)[NH+](CC[NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000054239537 630696726 /nfs/dbraw/zinc/69/67/26/630696726.db2.gz BJUOWZUKVFNYKT-UHFFFAOYSA-N 3 1 255.450 2.037 20 0 CEADMP Cc1cccc2ncc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)n21 ZINC000903977055 635395094 /nfs/dbraw/zinc/39/50/94/635395094.db2.gz HWIPFAGTXRQUFI-TZMCWYRMSA-N 2 1 272.396 2.059 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)s1 ZINC000903977523 635395160 /nfs/dbraw/zinc/39/51/60/635395160.db2.gz RVMKKAIZYVOJQS-CHWSQXEVSA-N 2 1 296.484 2.406 20 0 CEADMP CCO[C@H](C[NH2+]C[C@@H](OC)C1CCCCC1)C[NH+](C)C ZINC000896878636 630698720 /nfs/dbraw/zinc/69/87/20/630698720.db2.gz SCXCOESVGFSONF-HZPDHXFCSA-N 2 1 286.460 2.138 20 0 CEADMP CCO[C@H](C[NH2+]C[C@H]1CCc2ccccc21)C[NH+](C)C ZINC000896880559 630699653 /nfs/dbraw/zinc/69/96/53/630699653.db2.gz XBSPVJQQCWHODF-HZPDHXFCSA-N 2 1 276.424 2.273 20 0 CEADMP C[N@H+]1C[C@@H]2CN(c3nccc4c(N)cccc43)C[C@]2(C)C1 ZINC000896913245 630797612 /nfs/dbraw/zinc/79/76/12/630797612.db2.gz OXUCJYBADHJSKT-PXAZEXFGSA-N 2 1 282.391 2.205 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)C1 ZINC000904321813 635567517 /nfs/dbraw/zinc/56/75/17/635567517.db2.gz HECBINSBVSYNMT-FMKPAKJESA-N 2 1 262.372 2.427 20 0 CEADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000904322343 635569641 /nfs/dbraw/zinc/56/96/41/635569641.db2.gz ARVOBIFMLKUWMK-ZQNQSHIBSA-N 2 1 266.429 2.249 20 0 CEADMP CC[C@@]1(CO)CCC[N@H+]1C[C@H]([NH3+])CCC(C)(C)C ZINC000904340118 635579030 /nfs/dbraw/zinc/57/90/30/635579030.db2.gz DAAYXIWLHKIIBS-HIFRSBDPSA-N 2 1 256.434 2.377 20 0 CEADMP CSC(C)(C)CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897620872 631833121 /nfs/dbraw/zinc/83/31/21/631833121.db2.gz ZKHQDKJKXGDQAM-GXTWGEPZSA-N 2 1 256.459 2.402 20 0 CEADMP CSC(C)(C)CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000897620872 631833124 /nfs/dbraw/zinc/83/31/24/631833124.db2.gz ZKHQDKJKXGDQAM-GXTWGEPZSA-N 2 1 256.459 2.402 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C(=O)CCC2(C)C)CC1 ZINC000808160017 631925601 /nfs/dbraw/zinc/92/56/01/631925601.db2.gz LSRHVYLGQXYFGU-UHFFFAOYSA-N 2 1 295.471 2.397 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](CN3C(=O)CCC3(C)C)C2)CC1 ZINC000808173695 631930364 /nfs/dbraw/zinc/93/03/64/631930364.db2.gz LMPWZWKLLWNHFI-HNNXBMFYSA-N 2 1 293.455 2.009 20 0 CEADMP C[C@H]1CCCC[N@H+]1CC(N)=NOCCC[NH+]1CCCCC1 ZINC000808257402 631942485 /nfs/dbraw/zinc/94/24/85/631942485.db2.gz OUTJJUAIQLVTFV-HNNXBMFYSA-N 2 1 296.459 2.235 20 0 CEADMP C[N@H+]1CC[C@H](NCC[NH+]2CCC(C)(C)C2)CC1(C)C ZINC000898034845 632027433 /nfs/dbraw/zinc/02/74/33/632027433.db2.gz YVOULYSSVGLIGF-AWEZNQCLSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@H](NCC[N@@H+]2CCC(C)(C)C2)CC1(C)C ZINC000898034845 632027434 /nfs/dbraw/zinc/02/74/34/632027434.db2.gz YVOULYSSVGLIGF-AWEZNQCLSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@H](NCC[N@H+]2CCC(C)(C)C2)CC1(C)C ZINC000898034845 632027436 /nfs/dbraw/zinc/02/74/36/632027436.db2.gz YVOULYSSVGLIGF-AWEZNQCLSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCCCCCC1 ZINC000809939819 632159670 /nfs/dbraw/zinc/15/96/70/632159670.db2.gz WFXRYSZPZXVGOP-INIZCTEOSA-N 2 1 268.445 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCCCCCC1 ZINC000809939819 632159673 /nfs/dbraw/zinc/15/96/73/632159673.db2.gz WFXRYSZPZXVGOP-INIZCTEOSA-N 2 1 268.445 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CCCCCCC1)C1CC1 ZINC000809939819 632159677 /nfs/dbraw/zinc/15/96/77/632159677.db2.gz WFXRYSZPZXVGOP-INIZCTEOSA-N 2 1 268.445 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CCCCCCC1)C1CC1 ZINC000809939819 632159680 /nfs/dbraw/zinc/15/96/80/632159680.db2.gz WFXRYSZPZXVGOP-INIZCTEOSA-N 2 1 268.445 2.486 20 0 CEADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000810125032 632183203 /nfs/dbraw/zinc/18/32/03/632183203.db2.gz MNDNLRHUYZYKBY-UGUYLWEFSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000810125032 632183207 /nfs/dbraw/zinc/18/32/07/632183207.db2.gz MNDNLRHUYZYKBY-UGUYLWEFSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000810125032 632183212 /nfs/dbraw/zinc/18/32/12/632183212.db2.gz MNDNLRHUYZYKBY-UGUYLWEFSA-N 2 1 295.471 2.096 20 0 CEADMP COC(=O)CC1(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000866709712 632342383 /nfs/dbraw/zinc/34/23/83/632342383.db2.gz ZGVAYRLGSUAUJI-MRXNPFEDSA-N 2 1 282.428 2.027 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CC2CCC1CC2)C[NH+](C)C ZINC000926958251 632385139 /nfs/dbraw/zinc/38/51/39/632385139.db2.gz FIQLBLRHNZGZIL-NEXFUWMNSA-N 2 1 254.418 2.121 20 0 CEADMP CCO[C@@H](C[NH2+][C@H](C)Cc1ccc(OC)cc1)C[NH+](C)C ZINC000926960679 632387557 /nfs/dbraw/zinc/38/75/57/632387557.db2.gz GMEHYNUKENDTLZ-PBHICJAKSA-N 2 1 294.439 2.183 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1C[C@H](OCC)C12CCCC2)C[NH+](C)C ZINC000926961042 632388258 /nfs/dbraw/zinc/38/82/58/632388258.db2.gz OAQLBFYZVWSIJE-OAGGEKHMSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000811515860 632394769 /nfs/dbraw/zinc/39/47/69/632394769.db2.gz KQVZPAOOQITJMW-CQSZACIVSA-N 2 1 284.444 2.238 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000811515860 632394771 /nfs/dbraw/zinc/39/47/71/632394771.db2.gz KQVZPAOOQITJMW-CQSZACIVSA-N 2 1 284.444 2.238 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)[C@H]1CCOC1 ZINC000873237153 632412799 /nfs/dbraw/zinc/41/27/99/632412799.db2.gz MTEAHZFGKYKQDY-MJBXVCDLSA-N 2 1 254.418 2.169 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC23CCCCC3)C1 ZINC000924706137 632441364 /nfs/dbraw/zinc/44/13/64/632441364.db2.gz OJWJIXUSOPAOMX-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924708321 632443354 /nfs/dbraw/zinc/44/33/54/632443354.db2.gz XQLLVUXETQGJOE-VQCLRJIVSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C1(Br)CC1 ZINC000924712259 632451129 /nfs/dbraw/zinc/45/11/29/632451129.db2.gz HAHSROBVDPOWIV-JTQLQIEISA-N 2 1 286.217 2.487 20 0 CEADMP COC[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC000927093206 632457691 /nfs/dbraw/zinc/45/76/91/632457691.db2.gz CVWPNKZKCOVFOI-WBVHZDCISA-N 2 1 298.471 2.138 20 0 CEADMP C[N@@H+](CC(=O)N1CCC(C)([NH+]2CCC2)CC1)CC(C)(C)C ZINC000899223572 632749952 /nfs/dbraw/zinc/74/99/52/632749952.db2.gz GYNGXOUSAZNPOO-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(-n3ccnc3)nc2)C[C@H]1C[NH3+] ZINC000817865629 633747660 /nfs/dbraw/zinc/74/76/60/633747660.db2.gz MEJSYVVCBKSDKS-IJEWVQPXSA-N 2 1 299.422 2.073 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)c1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000817892861 633755369 /nfs/dbraw/zinc/75/53/69/633755369.db2.gz QDDPOZWYRQYUDW-JYJNAYRXSA-N 2 1 262.397 2.149 20 0 CEADMP CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C1 ZINC000817900344 633760881 /nfs/dbraw/zinc/76/08/81/633760881.db2.gz OEAZMMREMUBKCB-OUAUKWLOSA-N 2 1 251.399 2.429 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000817905621 633766452 /nfs/dbraw/zinc/76/64/52/633766452.db2.gz QLMDQFSBKQVXIP-ZACQAIPSSA-N 2 1 270.376 2.343 20 0 CEADMP C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1c[nH+]ccc1N ZINC000817912372 633769643 /nfs/dbraw/zinc/76/96/43/633769643.db2.gz GNTLTCBKJFUADR-QMTHXVAHSA-N 2 1 277.393 2.114 20 0 CEADMP C[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000817917556 633775689 /nfs/dbraw/zinc/77/56/89/633775689.db2.gz OJCOMWVZOCYUJI-BMFZPTHFSA-N 2 1 274.408 2.230 20 0 CEADMP C[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1c[nH+]ccc1N ZINC000817918587 633776682 /nfs/dbraw/zinc/77/66/82/633776682.db2.gz WGKQLQGALPDATF-ZBEGNZNMSA-N 2 1 289.354 2.192 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(N2CCCOC2=O)cc1 ZINC000817970205 633813553 /nfs/dbraw/zinc/81/35/53/633813553.db2.gz OFFZEXKHBJIMAU-NWDGAFQWSA-N 2 1 277.368 2.031 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000817978507 633821618 /nfs/dbraw/zinc/82/16/18/633821618.db2.gz BXFVPLHOTFGEMD-OCCSQVGLSA-N 2 1 275.396 2.201 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000817977929 633821714 /nfs/dbraw/zinc/82/17/14/633821714.db2.gz RRPQNINTYNBKDV-WOPDTQHZSA-N 2 1 277.368 2.030 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000817979064 633821789 /nfs/dbraw/zinc/82/17/89/633821789.db2.gz HVAWMDSBTHHECS-DGCLKSJQSA-N 2 1 277.368 2.031 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)c1ccccc1C ZINC000818965481 634019961 /nfs/dbraw/zinc/01/99/61/634019961.db2.gz IMQSJGANXJVRHO-CXAGYDPISA-N 2 1 287.407 2.459 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C2CC2)[C@H]1c1cccs1 ZINC000819101019 634068686 /nfs/dbraw/zinc/06/86/86/634068686.db2.gz KZETVEVDLJIGES-FMKPAKJESA-N 2 1 294.464 2.492 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C2CC2)[C@H]1c1cccs1 ZINC000819101019 634068693 /nfs/dbraw/zinc/06/86/93/634068693.db2.gz KZETVEVDLJIGES-FMKPAKJESA-N 2 1 294.464 2.492 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000819152459 634086885 /nfs/dbraw/zinc/08/68/85/634086885.db2.gz UOYYJANBKLUOLF-RDJZCZTQSA-N 2 1 276.424 2.288 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@H](O)c1cccc(F)c1)C1CC1 ZINC000819360174 634154212 /nfs/dbraw/zinc/15/42/12/634154212.db2.gz ALJQGFHSQGFTJW-INIZCTEOSA-N 2 1 280.387 2.323 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000819365791 634157394 /nfs/dbraw/zinc/15/73/94/634157394.db2.gz ANDIUOMFDQJVSE-ZBFHGGJFSA-N 2 1 262.397 2.042 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902791044 634834968 /nfs/dbraw/zinc/83/49/68/634834968.db2.gz SJZRHCFEYCFXND-HIFUNWJGSA-N 2 1 266.429 2.120 20 0 CEADMP Cc1cc(C)c(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cn1 ZINC000822016853 634837001 /nfs/dbraw/zinc/83/70/01/634837001.db2.gz FIMNTLICTBEVJX-HNNXBMFYSA-N 2 1 275.396 2.187 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902818027 634840209 /nfs/dbraw/zinc/84/02/09/634840209.db2.gz ICLMISDTFORMTH-SMLCLMEVSA-N 2 1 289.423 2.375 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCOC1 ZINC000903104570 634971946 /nfs/dbraw/zinc/97/19/46/634971946.db2.gz WBRYPQYPNANHQQ-WYIYSYCWSA-N 2 1 264.413 2.159 20 0 CEADMP CC[C@@H](O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903122207 634980529 /nfs/dbraw/zinc/98/05/29/634980529.db2.gz XGXNVGTYTWCIED-YPAMNDHTSA-N 2 1 266.429 2.285 20 0 CEADMP O=C1OCC[C@H]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903216859 635019876 /nfs/dbraw/zinc/01/98/76/635019876.db2.gz JRIQLMKNEGPVFB-WPXLMEDKSA-N 2 1 292.423 2.077 20 0 CEADMP Cc1cc(CO)cc(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000903306725 635058167 /nfs/dbraw/zinc/05/81/67/635058167.db2.gz AXOPYCPJBLAKDQ-GDBMZVCRSA-N 2 1 276.424 2.368 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2cccc(F)c2)[C@H](C)C1 ZINC000903311721 635060871 /nfs/dbraw/zinc/06/08/71/635060871.db2.gz VWBGDPBMYYKOAW-XOKHGSTOSA-N 2 1 294.414 2.353 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903434538 635116053 /nfs/dbraw/zinc/11/60/53/635116053.db2.gz HORWLOBGEZYKSH-WCVJEAGWSA-N 2 1 295.471 2.131 20 0 CEADMP COc1ccc([C@@H]2CC[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)cc1 ZINC000903435683 635116839 /nfs/dbraw/zinc/11/68/39/635116839.db2.gz VRBJBIRSQCJJAU-BMFZPTHFSA-N 2 1 274.408 2.340 20 0 CEADMP C[N@H+](Cc1nccn1Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903444017 635130880 /nfs/dbraw/zinc/13/08/80/635130880.db2.gz MWMGTFMFUHBREF-SJORKVTESA-N 2 1 298.434 2.491 20 0 CEADMP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)C[C@@H]21 ZINC000903453064 635137076 /nfs/dbraw/zinc/13/70/76/635137076.db2.gz XUBGSXDPYKGVCO-YIYPIFLZSA-N 2 1 270.367 2.353 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000903456732 635139574 /nfs/dbraw/zinc/13/95/74/635139574.db2.gz KDMZGDARDRNQDK-HWMZRRJGSA-N 3 1 277.456 2.063 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000903456732 635139577 /nfs/dbraw/zinc/13/95/77/635139577.db2.gz KDMZGDARDRNQDK-HWMZRRJGSA-N 2 1 277.456 2.063 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000903456732 635139578 /nfs/dbraw/zinc/13/95/78/635139578.db2.gz KDMZGDARDRNQDK-HWMZRRJGSA-N 2 1 277.456 2.063 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)C1 ZINC000903456732 635139582 /nfs/dbraw/zinc/13/95/82/635139582.db2.gz KDMZGDARDRNQDK-HWMZRRJGSA-N 2 1 277.456 2.063 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)C1 ZINC000903456732 635139585 /nfs/dbraw/zinc/13/95/85/635139585.db2.gz KDMZGDARDRNQDK-HWMZRRJGSA-N 2 1 277.456 2.063 20 0 CEADMP CC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000903457054 635140659 /nfs/dbraw/zinc/14/06/59/635140659.db2.gz LTKYCKRTKDNAHU-ACJLOTCBSA-N 2 1 286.419 2.145 20 0 CEADMP CC1(C)CO[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000903482097 635149676 /nfs/dbraw/zinc/14/96/76/635149676.db2.gz XHVYIWLGWFOUFP-CHWSQXEVSA-N 2 1 252.402 2.066 20 0 CEADMP C(CN[C@H]1CC[NH2+]C12CCCC2)CC1CC[NH2+]CC1 ZINC000903483692 635150703 /nfs/dbraw/zinc/15/07/03/635150703.db2.gz KCSQFVWSJGDTPR-HNNXBMFYSA-N 2 1 265.445 2.031 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)on2)C[C@H]1CC[NH3+] ZINC000903499451 635154404 /nfs/dbraw/zinc/15/44/04/635154404.db2.gz VZEGJHGGXDXBAD-VXGBXAGGSA-N 2 1 265.401 2.389 20 0 CEADMP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506081 635155098 /nfs/dbraw/zinc/15/50/98/635155098.db2.gz NWPRRDNTRAWCFS-CALCHBBNSA-N 2 1 279.472 2.323 20 0 CEADMP CCC(CC)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903506081 635155102 /nfs/dbraw/zinc/15/51/02/635155102.db2.gz NWPRRDNTRAWCFS-CALCHBBNSA-N 2 1 279.472 2.323 20 0 CEADMP CCC(CC)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506081 635155105 /nfs/dbraw/zinc/15/51/05/635155105.db2.gz NWPRRDNTRAWCFS-CALCHBBNSA-N 2 1 279.472 2.323 20 0 CEADMP C=C/C=C/CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506434 635155518 /nfs/dbraw/zinc/15/55/18/635155518.db2.gz ULEMKWDIXCYFPD-KSQPQJEDSA-N 2 1 275.440 2.019 20 0 CEADMP C=C/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506434 635155520 /nfs/dbraw/zinc/15/55/20/635155520.db2.gz ULEMKWDIXCYFPD-KSQPQJEDSA-N 2 1 275.440 2.019 20 0 CEADMP C=C/C=C/CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506434 635155523 /nfs/dbraw/zinc/15/55/23/635155523.db2.gz ULEMKWDIXCYFPD-KSQPQJEDSA-N 2 1 275.440 2.019 20 0 CEADMP c1csc(C[C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000903565013 635164592 /nfs/dbraw/zinc/16/45/92/635164592.db2.gz CCUVNNDYZBDVEN-KGLIPLIRSA-N 2 1 279.453 2.397 20 0 CEADMP Cn1nccc1[C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000903566330 635164861 /nfs/dbraw/zinc/16/48/61/635164861.db2.gz PUICJFIPPIGBON-MRXNPFEDSA-N 2 1 276.428 2.337 20 0 CEADMP CCn1nc(C)c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000823413469 635169144 /nfs/dbraw/zinc/16/91/44/635169144.db2.gz GPRPJOMVSYSARV-UHFFFAOYSA-N 2 1 293.459 2.159 20 0 CEADMP CCn1nc(C)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000823413469 635169145 /nfs/dbraw/zinc/16/91/45/635169145.db2.gz GPRPJOMVSYSARV-UHFFFAOYSA-N 2 1 293.459 2.159 20 0 CEADMP C[N@H+]1CCC[C@H]2CN(Cc3cc(F)ncc3F)CC[C@@H]21 ZINC000823489246 635197202 /nfs/dbraw/zinc/19/72/02/635197202.db2.gz CLJAEEHBOIHACA-FZMZJTMJSA-N 2 1 281.350 2.276 20 0 CEADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@](C)(O)c1ccccc1 ZINC000823605939 635227156 /nfs/dbraw/zinc/22/71/56/635227156.db2.gz OOWIKONDUQARCR-IRXDYDNUSA-N 2 1 276.424 2.310 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@](C)(O)c1ccccc1 ZINC000823605939 635227161 /nfs/dbraw/zinc/22/71/61/635227161.db2.gz OOWIKONDUQARCR-IRXDYDNUSA-N 2 1 276.424 2.310 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@](C)(O)c1ccccc1 ZINC000823605939 635227167 /nfs/dbraw/zinc/22/71/67/635227167.db2.gz OOWIKONDUQARCR-IRXDYDNUSA-N 2 1 276.424 2.310 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@](C)(O)c1ccccc1 ZINC000823605939 635227173 /nfs/dbraw/zinc/22/71/73/635227173.db2.gz OOWIKONDUQARCR-IRXDYDNUSA-N 2 1 276.424 2.310 20 0 CEADMP c1csc(C[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000903708489 635229924 /nfs/dbraw/zinc/22/99/24/635229924.db2.gz XBAHNTCPFMAALB-ZDUSSCGKSA-N 2 1 265.426 2.007 20 0 CEADMP C[C@H]([N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C(C)(C)C ZINC000903723624 635237399 /nfs/dbraw/zinc/23/73/99/635237399.db2.gz XCAKDGRORCJVKL-GUTXKFCHSA-N 2 1 254.418 2.121 20 0 CEADMP COc1ccc([C@@H](CO)[N@@H+](C)C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903728707 635241069 /nfs/dbraw/zinc/24/10/69/635241069.db2.gz FFKALSZYMHPHPV-WMLDXEAASA-N 2 1 292.423 2.050 20 0 CEADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC2(CCC2)C1 ZINC000903730359 635242178 /nfs/dbraw/zinc/24/21/78/635242178.db2.gz VXIYMACTLBJEFV-AWEZNQCLSA-N 2 1 264.413 2.021 20 0 CEADMP CCC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C[C@@H]1CCCCO1 ZINC000903729718 635242264 /nfs/dbraw/zinc/24/22/64/635242264.db2.gz RFNZZIJZJUBLRU-YESZJQIVSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732514 635243556 /nfs/dbraw/zinc/24/35/56/635243556.db2.gz FOMUEUWEMHKFRY-HZSPNIEDSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903734156 635250365 /nfs/dbraw/zinc/25/03/65/635250365.db2.gz PFHNGDPZVPYUOD-CABCVRRESA-N 2 1 252.402 2.018 20 0 CEADMP CCSCC[C@H](C)[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903733963 635250390 /nfs/dbraw/zinc/25/03/90/635250390.db2.gz NLIAJHKUBVTTAX-KKUMJFAQSA-N 2 1 286.485 2.219 20 0 CEADMP CC1CC(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000903763270 635257468 /nfs/dbraw/zinc/25/74/68/635257468.db2.gz JNUBJEDTVZFKNS-UIEKQHFFSA-N 2 1 266.429 2.251 20 0 CEADMP CC(C)O[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903762822 635257605 /nfs/dbraw/zinc/25/76/05/635257605.db2.gz DUZYQWFNLQEEBS-JKSUJKDBSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903766895 635258423 /nfs/dbraw/zinc/25/84/23/635258423.db2.gz CMVFAJTVWGTIMA-WISYIIOYSA-N 2 1 280.334 2.298 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903766895 635258427 /nfs/dbraw/zinc/25/84/27/635258427.db2.gz CMVFAJTVWGTIMA-WISYIIOYSA-N 2 1 280.334 2.298 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000903781258 635266759 /nfs/dbraw/zinc/26/67/59/635266759.db2.gz OYQJVMHHVMTEFV-JHJVBQTASA-N 2 1 294.361 2.418 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000903781258 635266763 /nfs/dbraw/zinc/26/67/63/635266763.db2.gz OYQJVMHHVMTEFV-JHJVBQTASA-N 2 1 294.361 2.418 20 0 CEADMP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000903781156 635267035 /nfs/dbraw/zinc/26/70/35/635267035.db2.gz OYQJVMHHVMTEFV-AGIUHOORSA-N 2 1 294.361 2.418 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000903781156 635267038 /nfs/dbraw/zinc/26/70/38/635267038.db2.gz OYQJVMHHVMTEFV-AGIUHOORSA-N 2 1 294.361 2.418 20 0 CEADMP Fc1cccc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903815687 635272156 /nfs/dbraw/zinc/27/21/56/635272156.db2.gz PLRFEECXTHRNGS-UHFFFAOYSA-N 2 1 278.371 2.170 20 0 CEADMP Fc1cccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903815687 635272157 /nfs/dbraw/zinc/27/21/57/635272157.db2.gz PLRFEECXTHRNGS-UHFFFAOYSA-N 2 1 278.371 2.170 20 0 CEADMP CC(C)OCC[C@H](O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810343 635284670 /nfs/dbraw/zinc/28/46/70/635284670.db2.gz BGSAAMGIAYRPCT-HOTGVXAUSA-N 2 1 298.471 2.146 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@H](O)CC(F)(F)F)CCC1 ZINC000903810535 635284792 /nfs/dbraw/zinc/28/47/92/635284792.db2.gz DINWZPWNMQUTTC-NEPJUHHUSA-N 2 1 294.361 2.283 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCOC2CC2)CCC1 ZINC000903810548 635284815 /nfs/dbraw/zinc/28/48/15/635284815.db2.gz DNDROPUFHPKRDM-CQSZACIVSA-N 2 1 252.402 2.149 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)C2 ZINC000903840468 635299364 /nfs/dbraw/zinc/29/93/64/635299364.db2.gz QVUNKGNAJRVGJE-PPCPHDFISA-N 2 1 292.345 2.298 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000903843090 635302510 /nfs/dbraw/zinc/30/25/10/635302510.db2.gz BUCCJVJOCGMEOT-GLQYFDAESA-N 2 1 283.375 2.252 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1nc(-c3ccccc3)no1)C2 ZINC000903843951 635302553 /nfs/dbraw/zinc/30/25/53/635302553.db2.gz XRDHTPSWWOZFEQ-CFVMTHIKSA-N 2 1 298.390 2.091 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903854773 635306747 /nfs/dbraw/zinc/30/67/47/635306747.db2.gz KHUVRWHGIDGRFK-GDBMZVCRSA-N 2 1 259.397 2.066 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903854773 635306751 /nfs/dbraw/zinc/30/67/51/635306751.db2.gz KHUVRWHGIDGRFK-GDBMZVCRSA-N 2 1 259.397 2.066 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+])C1CCCC1 ZINC000903857026 635307608 /nfs/dbraw/zinc/30/76/08/635307608.db2.gz CEZNDCLRZNRYIV-ZNMIVQPWSA-N 2 1 252.402 2.005 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+])C1CCCC1 ZINC000903857026 635307611 /nfs/dbraw/zinc/30/76/11/635307611.db2.gz CEZNDCLRZNRYIV-ZNMIVQPWSA-N 2 1 252.402 2.005 20 0 CEADMP CO[C@H](C[N@@H+]1CCC[C@]12CC[NH2+]C2)C1CCCCC1 ZINC000903871356 635319986 /nfs/dbraw/zinc/31/99/86/635319986.db2.gz SNJHEATXBJLZJQ-HZPDHXFCSA-N 2 1 266.429 2.410 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@]12CC[NH2+]C2)C1CCCCC1 ZINC000903871356 635319987 /nfs/dbraw/zinc/31/99/87/635319987.db2.gz SNJHEATXBJLZJQ-HZPDHXFCSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903894962 635330323 /nfs/dbraw/zinc/33/03/23/635330323.db2.gz IUBUFHDRNRZQSI-RBSFLKMASA-N 2 1 291.443 2.213 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000903909400 635343224 /nfs/dbraw/zinc/34/32/24/635343224.db2.gz UMQJKHBDGFKAAG-KGLIPLIRSA-N 2 1 291.443 2.071 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000903912497 635345749 /nfs/dbraw/zinc/34/57/49/635345749.db2.gz FVNGDKZSLZAOKL-USNXZVQNSA-N 2 1 264.413 2.018 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903937474 635362345 /nfs/dbraw/zinc/36/23/45/635362345.db2.gz LXELAVWWUADMBQ-HNSVSWJLSA-N 2 1 294.439 2.182 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC3(CCC3)C[C@@H]2C)cnn1C ZINC000903916982 635364875 /nfs/dbraw/zinc/36/48/75/635364875.db2.gz IZYSKXHLUUBFDM-ZFWWWQNUSA-N 2 1 290.455 2.110 20 0 CEADMP Cc1cccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955348 635389796 /nfs/dbraw/zinc/38/97/96/635389796.db2.gz PMXZEIGRVZNOTB-CYBMUJFWSA-N 2 1 254.324 2.329 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)CCO1 ZINC000903977528 635394822 /nfs/dbraw/zinc/39/48/22/635394822.db2.gz SBCKBEUJTABFGX-KBUPBQIOSA-N 2 1 254.418 2.108 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)cc1Cl ZINC000903964768 635399258 /nfs/dbraw/zinc/39/92/58/635399258.db2.gz QRJXFPPBRKPFHO-KOLCDFICSA-N 2 1 256.752 2.424 20 0 CEADMP C[C@]1(CN2CC[NH+](Cc3ccsc3)CC2)CCC[NH2+]C1 ZINC000904305993 635556628 /nfs/dbraw/zinc/55/66/28/635556628.db2.gz XNKCLTOWZDIGQJ-INIZCTEOSA-N 2 1 293.480 2.255 20 0 CEADMP CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904315972 635558386 /nfs/dbraw/zinc/55/83/86/635558386.db2.gz HQHWZPZWMWAHSF-DOTOQJQBSA-N 2 1 295.471 2.004 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)C1 ZINC000904315393 635562042 /nfs/dbraw/zinc/56/20/42/635562042.db2.gz BDBDQZLGYLGIPG-GASCZTMLSA-N 2 1 270.380 2.149 20 0 CEADMP CCOC[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904326462 635571795 /nfs/dbraw/zinc/57/17/95/635571795.db2.gz KEIOIJLPCFKUET-KGLIPLIRSA-N 2 1 256.434 2.498 20 0 CEADMP CCOC[C@@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904326462 635571791 /nfs/dbraw/zinc/57/17/91/635571791.db2.gz KEIOIJLPCFKUET-KGLIPLIRSA-N 2 1 256.434 2.498 20 0 CEADMP C[C@H](O)[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904329707 635574906 /nfs/dbraw/zinc/57/49/06/635574906.db2.gz RKNNKCXDRHKUIS-MJBXVCDLSA-N 2 1 256.434 2.233 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C[C@H]1n1ccnc1 ZINC000904327308 635573645 /nfs/dbraw/zinc/57/36/45/635573645.db2.gz CRANYKNXGOOKPD-BZUAXINKSA-N 2 1 276.428 2.156 20 0 CEADMP C[C@H](O)[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904329707 635574902 /nfs/dbraw/zinc/57/49/02/635574902.db2.gz RKNNKCXDRHKUIS-MJBXVCDLSA-N 2 1 256.434 2.233 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCC[NH2+]C1 ZINC000904350308 635584407 /nfs/dbraw/zinc/58/44/07/635584407.db2.gz KRBYMYLSYQASSB-IKGGRYGDSA-N 3 1 279.472 2.088 20 0 CEADMP NCC[N@H+](CCc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC000904351630 635585504 /nfs/dbraw/zinc/58/55/04/635585504.db2.gz ZWKLGIUACHUFLT-UHFFFAOYSA-N 2 1 283.419 2.149 20 0 CEADMP NCC[N@@H+](CCc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC000904351630 635585506 /nfs/dbraw/zinc/58/55/06/635585506.db2.gz ZWKLGIUACHUFLT-UHFFFAOYSA-N 2 1 283.419 2.149 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1C ZINC000904355408 635586785 /nfs/dbraw/zinc/58/67/85/635586785.db2.gz NIZWRRSFITYBEU-GXTWGEPZSA-N 2 1 276.380 2.012 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000904359053 635587957 /nfs/dbraw/zinc/58/79/57/635587957.db2.gz WXPNHLVPSFSMHE-IRXDYDNUSA-N 3 1 273.424 2.109 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@@H](c3cccnc3)C2)CCC[NH2+]C1 ZINC000904373094 635594348 /nfs/dbraw/zinc/59/43/48/635594348.db2.gz ATOQKACGKAFFPO-HZPDHXFCSA-N 2 1 259.397 2.261 20 0 CEADMP c1cn(C2CC2)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000904377353 635603483 /nfs/dbraw/zinc/60/34/83/635603483.db2.gz OIMYSXKXCZPKIX-HNNXBMFYSA-N 2 1 288.439 2.430 20 0 CEADMP CC(C)c1ncc(C[N@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000904406348 635614012 /nfs/dbraw/zinc/61/40/12/635614012.db2.gz QMRZFWLJUKAPDQ-LLVKDONJSA-N 2 1 253.415 2.437 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000904405603 635612304 /nfs/dbraw/zinc/61/23/04/635612304.db2.gz KKUVKPJLJPTIEY-ZDUSSCGKSA-N 2 1 270.380 2.247 20 0 CEADMP [NH3+]CC[C@H]1CC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000904405603 635612306 /nfs/dbraw/zinc/61/23/06/635612306.db2.gz KKUVKPJLJPTIEY-ZDUSSCGKSA-N 2 1 270.380 2.247 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000904405603 635612309 /nfs/dbraw/zinc/61/23/09/635612309.db2.gz KKUVKPJLJPTIEY-ZDUSSCGKSA-N 2 1 270.380 2.247 20 0 CEADMP CCn1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c2ccccc21 ZINC000904409408 635614679 /nfs/dbraw/zinc/61/46/79/635614679.db2.gz BIJYMPHDJUIJSX-KBPBESRZSA-N 2 1 286.423 2.473 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)CC[C@@H]1C[NH3+] ZINC000904409877 635615062 /nfs/dbraw/zinc/61/50/62/635615062.db2.gz ALIICUASUAEWKI-DZGCQCFKSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@H]1C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000904409877 635615066 /nfs/dbraw/zinc/61/50/66/635615066.db2.gz ALIICUASUAEWKI-DZGCQCFKSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000904409877 635615070 /nfs/dbraw/zinc/61/50/70/635615070.db2.gz ALIICUASUAEWKI-DZGCQCFKSA-N 2 1 284.407 2.493 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000904410672 635616222 /nfs/dbraw/zinc/61/62/22/635616222.db2.gz FCDMVBICIIPCJJ-OLZOCXBDSA-N 2 1 296.484 2.406 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(F)c1 ZINC000904410226 635616290 /nfs/dbraw/zinc/61/62/90/635616290.db2.gz MQHYUDCGFBCLLZ-RYUDHWBXSA-N 2 1 266.360 2.251 20 0 CEADMP CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904410990 635619523 /nfs/dbraw/zinc/61/95/23/635619523.db2.gz IKWXURIHULGKPN-WDEREUQCSA-N 2 1 284.835 2.053 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000825332518 635619546 /nfs/dbraw/zinc/61/95/46/635619546.db2.gz ZKUABHPCVNCFRO-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000825332518 635619548 /nfs/dbraw/zinc/61/95/48/635619548.db2.gz ZKUABHPCVNCFRO-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CC[C@@H]1C[NH3+] ZINC000904412709 635619861 /nfs/dbraw/zinc/61/98/61/635619861.db2.gz YCMVPRYWCBUNJR-QWHCGFSZSA-N 2 1 290.436 2.351 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cncc(O)c1 ZINC000904433663 635627175 /nfs/dbraw/zinc/62/71/75/635627175.db2.gz PDKOYPOCPJSIKW-OCCSQVGLSA-N 2 1 263.385 2.188 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)O[C@@H](C)C2 ZINC000904417671 635631440 /nfs/dbraw/zinc/63/14/40/635631440.db2.gz MNLWVEVPXHTILC-TYNCELHUSA-N 2 1 290.407 2.045 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)o1 ZINC000904420103 635631756 /nfs/dbraw/zinc/63/17/56/635631756.db2.gz BBLUTYRTOPBVIZ-QWHCGFSZSA-N 2 1 286.379 2.019 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)o1 ZINC000904420103 635631761 /nfs/dbraw/zinc/63/17/61/635631761.db2.gz BBLUTYRTOPBVIZ-QWHCGFSZSA-N 2 1 286.379 2.019 20 0 CEADMP c1cc2c(c(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c1)CCC2 ZINC000904420199 635632058 /nfs/dbraw/zinc/63/20/58/635632058.db2.gz GKMVYQXWNQFCJC-GOEBONIOSA-N 2 1 256.393 2.217 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@H](Cc3nccs3)C2)CCC[NH2+]C1 ZINC000904470442 635646949 /nfs/dbraw/zinc/64/69/49/635646949.db2.gz WZHXEMWOEMETFH-HIFRSBDPSA-N 2 1 279.453 2.397 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccccc2C[NH3+])C[C@H]1C ZINC000904647064 635695285 /nfs/dbraw/zinc/69/52/85/635695285.db2.gz QYCYIXWVEGFULX-CHWSQXEVSA-N 2 1 290.411 2.092 20 0 CEADMP CC[C@@](O)(C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C(F)(F)F ZINC000905056359 635803099 /nfs/dbraw/zinc/80/30/99/635803099.db2.gz YKCIQZOXFGARLZ-ZYHUDNBSSA-N 2 1 293.333 2.121 20 0 CEADMP CC[C@](O)(C[NH2+]C1CC[NH+](CC(C)C)CC1)C(F)(F)F ZINC000905066496 635809384 /nfs/dbraw/zinc/80/93/84/635809384.db2.gz SFJVEFDGOILGAT-ZDUSSCGKSA-N 2 1 296.377 2.400 20 0 CEADMP CCSc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000905410001 636261732 /nfs/dbraw/zinc/26/17/32/636261732.db2.gz MZNLGIPOQZFYJG-OAHLLOKOSA-N 2 1 294.464 2.345 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000827318775 636292780 /nfs/dbraw/zinc/29/27/80/636292780.db2.gz JCCULIRWFPINKX-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827318775 636292787 /nfs/dbraw/zinc/29/27/87/636292787.db2.gz JCCULIRWFPINKX-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827318775 636292790 /nfs/dbraw/zinc/29/27/90/636292790.db2.gz JCCULIRWFPINKX-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)CCO1 ZINC000827856419 636443143 /nfs/dbraw/zinc/44/31/43/636443143.db2.gz ORKNMVXIHJRBOW-BRWVUGGUSA-N 2 1 298.471 2.234 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)CC(C)C)C1 ZINC000827976072 636477270 /nfs/dbraw/zinc/47/72/70/636477270.db2.gz OKNHPIXZEFCZPV-CQSZACIVSA-N 2 1 254.418 2.265 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)CC(C)C)C1 ZINC000827976072 636477275 /nfs/dbraw/zinc/47/72/75/636477275.db2.gz OKNHPIXZEFCZPV-CQSZACIVSA-N 2 1 254.418 2.265 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)CC(C)C)C1 ZINC000827976072 636477280 /nfs/dbraw/zinc/47/72/80/636477280.db2.gz OKNHPIXZEFCZPV-CQSZACIVSA-N 2 1 254.418 2.265 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)CC(C)C)C1 ZINC000827976072 636477285 /nfs/dbraw/zinc/47/72/85/636477285.db2.gz OKNHPIXZEFCZPV-CQSZACIVSA-N 2 1 254.418 2.265 20 0 CEADMP C[C@@](O)(C[NH2+]CCC[N@@H+]1CCc2ccccc2C1)C(F)F ZINC000905906139 636519213 /nfs/dbraw/zinc/51/92/13/636519213.db2.gz RWVPJNZUSNFNOQ-MRXNPFEDSA-N 2 1 298.377 2.041 20 0 CEADMP C[C@@](O)(C[NH2+]CCC[N@H+]1CCc2ccccc2C1)C(F)F ZINC000905906139 636519215 /nfs/dbraw/zinc/51/92/15/636519215.db2.gz RWVPJNZUSNFNOQ-MRXNPFEDSA-N 2 1 298.377 2.041 20 0 CEADMP CCCOc1c(C[NH2+][C@H]2C[C@H]([NH3+])C2)cccc1OCC ZINC000906508296 636758745 /nfs/dbraw/zinc/75/87/45/636758745.db2.gz LOUNKPNSGXGSSL-HDJSIYSDSA-N 2 1 278.396 2.453 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000906507821 636758887 /nfs/dbraw/zinc/75/88/87/636758887.db2.gz DSNMQYNHSJAZKW-MGCOHNPYSA-N 2 1 273.149 2.168 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000906509561 636760059 /nfs/dbraw/zinc/76/00/59/636760059.db2.gz JMZXIOPWNMFAFA-UHFFFAOYSA-N 2 1 260.259 2.006 20 0 CEADMP COc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1OC(C)C ZINC000906508790 636761030 /nfs/dbraw/zinc/76/10/30/636761030.db2.gz ZTNQHSUVVWSPIG-JOCQHMNTSA-N 2 1 264.369 2.062 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnc(C3CCCC3)s2)C1 ZINC000906517344 636765142 /nfs/dbraw/zinc/76/51/42/636765142.db2.gz NEYSBSRIURDBPQ-XYPYZODXSA-N 2 1 251.399 2.380 20 0 CEADMP CC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)[C@H](C)C1 ZINC000910289575 637980724 /nfs/dbraw/zinc/98/07/24/637980724.db2.gz SCOGOQYLJWTJKB-QXSJWSMHSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CCCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)[C@H](C)C1 ZINC000910289575 637980727 /nfs/dbraw/zinc/98/07/27/637980727.db2.gz SCOGOQYLJWTJKB-QXSJWSMHSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CCCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)[C@H](C)C1 ZINC000910289575 637980732 /nfs/dbraw/zinc/98/07/32/637980732.db2.gz SCOGOQYLJWTJKB-QXSJWSMHSA-N 2 1 295.471 2.190 20 0 CEADMP Fc1cccc2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cnc12 ZINC000876818124 650444809 /nfs/dbraw/zinc/44/48/09/650444809.db2.gz PYQFFHHOYXXBDV-OKILXGFUSA-N 2 1 271.339 2.025 20 0 CEADMP Fc1cccc2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cnc12 ZINC000876818124 650444814 /nfs/dbraw/zinc/44/48/14/650444814.db2.gz PYQFFHHOYXXBDV-OKILXGFUSA-N 2 1 271.339 2.025 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876876928 650468891 /nfs/dbraw/zinc/46/88/91/650468891.db2.gz MBKDBKBATZVPCZ-GASCZTMLSA-N 2 1 295.471 2.227 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1 ZINC000837186268 639103454 /nfs/dbraw/zinc/10/34/54/639103454.db2.gz OUXKHUOSQVMPJT-MRXNPFEDSA-N 2 1 297.487 2.440 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000837186268 639103472 /nfs/dbraw/zinc/10/34/72/639103472.db2.gz OUXKHUOSQVMPJT-MRXNPFEDSA-N 2 1 297.487 2.440 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000837186268 639103484 /nfs/dbraw/zinc/10/34/84/639103484.db2.gz OUXKHUOSQVMPJT-MRXNPFEDSA-N 2 1 297.487 2.440 20 0 CEADMP Cc1noc(C)c1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166810959 639488307 /nfs/dbraw/zinc/48/83/07/639488307.db2.gz VTNXLCQUUKLTLX-HUUCEWRRSA-N 2 1 277.412 2.440 20 0 CEADMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1F ZINC000226434933 639544131 /nfs/dbraw/zinc/54/41/31/639544131.db2.gz ORKAWNHHPKLVNH-CYBMUJFWSA-N 2 1 266.360 2.266 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1F ZINC000226434933 639544137 /nfs/dbraw/zinc/54/41/37/639544137.db2.gz ORKAWNHHPKLVNH-CYBMUJFWSA-N 2 1 266.360 2.266 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000841031460 639623824 /nfs/dbraw/zinc/62/38/24/639623824.db2.gz USAAYSITKFHOLG-UHFFFAOYSA-N 2 1 289.423 2.203 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cnc1Cl ZINC000841033384 639625002 /nfs/dbraw/zinc/62/50/02/639625002.db2.gz SKIIRFSEZYERFN-NSHDSACASA-N 2 1 253.777 2.133 20 0 CEADMP CC1(C)Cc2cc(C[NH2+]CC3([NH3+])CCC3)ccc2O1 ZINC000841049227 639632640 /nfs/dbraw/zinc/63/26/40/639632640.db2.gz OORCNDDGZGVULZ-UHFFFAOYSA-N 2 1 260.381 2.371 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cnc3ccccc3c2)CC[NH2+]1 ZINC000841062970 639638590 /nfs/dbraw/zinc/63/85/90/639638590.db2.gz ZYKYUUSFPBBXQO-IUODEOHRSA-N 2 1 255.365 2.465 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cnc1Cl ZINC000841065232 639641122 /nfs/dbraw/zinc/64/11/22/639641122.db2.gz ZHNHLBAGQASRKC-CMPLNLGQSA-N 2 1 253.777 2.131 20 0 CEADMP FC(F)Sc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000841077499 639647127 /nfs/dbraw/zinc/64/71/27/639647127.db2.gz NARWMYNIPXWOOG-GDNZZTSVSA-N 2 1 270.348 2.309 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1C[NH3+] ZINC000841101162 639667899 /nfs/dbraw/zinc/66/78/99/639667899.db2.gz QFQVEFPQRZXWSH-MLGOLLRUSA-N 2 1 260.381 2.134 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1nccc1-c1cccnc1 ZINC000171604348 639724042 /nfs/dbraw/zinc/72/40/42/639724042.db2.gz BHLCLECDKJQNKO-UHFFFAOYSA-N 2 1 299.422 2.176 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)nc3)C[C@@H]21 ZINC000230047513 639730128 /nfs/dbraw/zinc/73/01/28/639730128.db2.gz TVFHNCYFTLKEEP-RWMBFGLXSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)nc3)C[C@@H]21 ZINC000230047513 639730129 /nfs/dbraw/zinc/73/01/29/639730129.db2.gz TVFHNCYFTLKEEP-RWMBFGLXSA-N 2 1 265.788 2.294 20 0 CEADMP O[C@H](CC1CCCC1)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000232148773 639903516 /nfs/dbraw/zinc/90/35/16/639903516.db2.gz RVQUOAGXJUFQFS-QGZVFWFLSA-N 2 1 280.456 2.392 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000842476648 639978090 /nfs/dbraw/zinc/97/80/90/639978090.db2.gz DHADPMPBDJMMCJ-UHFFFAOYSA-N 2 1 288.391 2.451 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000842476648 639978093 /nfs/dbraw/zinc/97/80/93/639978093.db2.gz DHADPMPBDJMMCJ-UHFFFAOYSA-N 2 1 288.391 2.451 20 0 CEADMP Cc1nnc([C@@H]2CCC[N@@H+](CCCCCCC[NH3+])C2)[nH]1 ZINC000842476417 640077072 /nfs/dbraw/zinc/07/70/72/640077072.db2.gz NXRHDAPSCBSWDW-CQSZACIVSA-N 2 1 279.432 2.202 20 0 CEADMP Cc1n[nH]c([C@@H]2CCC[N@H+](CCCCCCC[NH3+])C2)n1 ZINC000842476417 640077075 /nfs/dbraw/zinc/07/70/75/640077075.db2.gz NXRHDAPSCBSWDW-CQSZACIVSA-N 2 1 279.432 2.202 20 0 CEADMP Cc1n[nH]c([C@@H]2CCC[N@@H+](CCCCCCC[NH3+])C2)n1 ZINC000842476417 640077078 /nfs/dbraw/zinc/07/70/78/640077078.db2.gz NXRHDAPSCBSWDW-CQSZACIVSA-N 2 1 279.432 2.202 20 0 CEADMP Cc1nc([C@@H]2CCC[N@H+](CCCCCCC[NH3+])C2)n[nH]1 ZINC000842476417 640077082 /nfs/dbraw/zinc/07/70/82/640077082.db2.gz NXRHDAPSCBSWDW-CQSZACIVSA-N 2 1 279.432 2.202 20 0 CEADMP Cc1nc([C@@H]2CCC[N@@H+](CCCCCCC[NH3+])C2)n[nH]1 ZINC000842476417 640077086 /nfs/dbraw/zinc/07/70/86/640077086.db2.gz NXRHDAPSCBSWDW-CQSZACIVSA-N 2 1 279.432 2.202 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)OCCO2 ZINC000843054183 640257134 /nfs/dbraw/zinc/25/71/34/640257134.db2.gz QZTOMCGUJSKMHS-GOOCMWNKSA-N 2 1 288.391 2.302 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)OCCO2 ZINC000843054183 640257142 /nfs/dbraw/zinc/25/71/42/640257142.db2.gz QZTOMCGUJSKMHS-GOOCMWNKSA-N 2 1 288.391 2.302 20 0 CEADMP CCc1nn(C)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000843059898 640262925 /nfs/dbraw/zinc/26/29/25/640262925.db2.gz UDCLNDMZKDWMIN-GMXVVIOVSA-N 2 1 296.846 2.195 20 0 CEADMP CCc1nn(C)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000843059898 640262928 /nfs/dbraw/zinc/26/29/28/640262928.db2.gz UDCLNDMZKDWMIN-GMXVVIOVSA-N 2 1 296.846 2.195 20 0 CEADMP Fc1ccc(C[N@H+]2CCCN(C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000843060381 640263150 /nfs/dbraw/zinc/26/31/50/640263150.db2.gz GJKMSEZWIPDDLY-KRWDZBQOSA-N 2 1 291.414 2.085 20 0 CEADMP Cc1ccc2c(C[N@H+]3CC[C@@H](C[NH3+])C3)cc(=O)oc2c1C ZINC000843348457 640397952 /nfs/dbraw/zinc/39/79/52/640397952.db2.gz ORXKEXLBNMHTKK-ZDUSSCGKSA-N 2 1 286.375 2.190 20 0 CEADMP CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843388586 640413707 /nfs/dbraw/zinc/41/37/07/640413707.db2.gz SSKGNDGGHBURES-RRFJBIMHSA-N 2 1 282.428 2.040 20 0 CEADMP C[C@@H](CNC(=O)c1cccc(C[NH3+])c1)[N@H+]1CCCC[C@H]1C ZINC000844171466 640622837 /nfs/dbraw/zinc/62/28/37/640622837.db2.gz JAADYJPOUQVREL-KGLIPLIRSA-N 2 1 289.423 2.138 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)NCCCCCC[NH3+])c1ccccc1 ZINC000844200976 640630044 /nfs/dbraw/zinc/63/00/44/640630044.db2.gz JGHFVPJKHXPSRQ-MRXNPFEDSA-N 2 1 291.439 2.315 20 0 CEADMP C[C@@H]1[C@H](COC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000845822111 641105960 /nfs/dbraw/zinc/10/59/60/641105960.db2.gz XVGDUTWVRBDNSY-CJNGLKHVSA-N 2 1 290.407 2.245 20 0 CEADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000920094850 641113997 /nfs/dbraw/zinc/11/39/97/641113997.db2.gz ILERIAISUJKOIW-WBVHZDCISA-N 2 1 274.408 2.029 20 0 CEADMP Cc1cnc(CC[N@@H+](C)CCCCCC[NH3+])s1 ZINC000846220158 641228621 /nfs/dbraw/zinc/22/86/21/641228621.db2.gz FBEUBTYMCHDXSS-UHFFFAOYSA-N 2 1 255.431 2.445 20 0 CEADMP CCCCCCNC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000846226821 641234343 /nfs/dbraw/zinc/23/43/43/641234343.db2.gz URWDREAIKFSYFM-GJZGRUSLSA-N 2 1 283.460 2.132 20 0 CEADMP CCCCCCNC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000846226821 641234346 /nfs/dbraw/zinc/23/43/46/641234346.db2.gz URWDREAIKFSYFM-GJZGRUSLSA-N 2 1 283.460 2.132 20 0 CEADMP Cc1nnc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)s1 ZINC000879249927 651269950 /nfs/dbraw/zinc/26/99/50/651269950.db2.gz GEPPQQJDHNCLKD-UHFFFAOYSA-N 2 1 280.441 2.154 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000068997181 641491581 /nfs/dbraw/zinc/49/15/81/641491581.db2.gz YKKNJDQCOIKEGB-UHFFFAOYSA-N 2 1 294.443 2.207 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000070074686 641629237 /nfs/dbraw/zinc/62/92/37/641629237.db2.gz CNUWHGTVDWWXTE-GOEBONIOSA-N 2 1 284.407 2.432 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000070074686 641629239 /nfs/dbraw/zinc/62/92/39/641629239.db2.gz CNUWHGTVDWWXTE-GOEBONIOSA-N 2 1 284.407 2.432 20 0 CEADMP Cc1ccc(OCC[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070170444 641639470 /nfs/dbraw/zinc/63/94/70/641639470.db2.gz OODDYLWSDAKAQM-HNNXBMFYSA-N 2 1 262.397 2.435 20 0 CEADMP CCc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070170859 641640588 /nfs/dbraw/zinc/64/05/88/641640588.db2.gz MXBGHHKVJMPQPE-HNNXBMFYSA-N 2 1 289.423 2.248 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC2OCCO2)CC1 ZINC000182468244 641665034 /nfs/dbraw/zinc/66/50/34/641665034.db2.gz WVIOJZRSLGJPQA-HNNXBMFYSA-N 2 1 296.455 2.336 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCOC1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185726273 642021148 /nfs/dbraw/zinc/02/11/48/642021148.db2.gz GWGGLOREUNLEAY-ZNMIVQPWSA-N 2 1 294.439 2.182 20 0 CEADMP C[C@H](Cc1ccco1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848521469 642028928 /nfs/dbraw/zinc/02/89/28/642028928.db2.gz SLZTZZIHSNPLNU-PBHICJAKSA-N 2 1 292.423 2.444 20 0 CEADMP CN(C)C(=[NH+]C[C@H](c1ccc(Cl)cc1)[NH+](C)C)N(C)C ZINC000083052878 642041499 /nfs/dbraw/zinc/04/14/99/642041499.db2.gz SQIWTLROXZMJSE-CQSZACIVSA-N 2 1 296.846 2.422 20 0 CEADMP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995791362 642076180 /nfs/dbraw/zinc/07/61/80/642076180.db2.gz GKOZXCAHMWAXTM-LSDHHAIUSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+]Cc2cnn(CCF)c2)CC1 ZINC000921519031 642188552 /nfs/dbraw/zinc/18/85/52/642188552.db2.gz NEOVJOUKVCCOLK-UHFFFAOYSA-N 2 1 282.407 2.063 20 0 CEADMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCC1)c1ccccc1 ZINC000848981567 642204416 /nfs/dbraw/zinc/20/44/16/642204416.db2.gz VDDVSROWIMHKJL-HNNXBMFYSA-N 2 1 274.412 2.300 20 0 CEADMP CCCCCCNC(=[NH2+])NCCC[N@@H+](C)C(C)C ZINC000848987755 642210325 /nfs/dbraw/zinc/21/03/25/642210325.db2.gz YIMAQRMLWDUFJA-UHFFFAOYSA-N 2 1 256.438 2.411 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=[NH2+])NC1CCC1 ZINC000848989243 642210892 /nfs/dbraw/zinc/21/08/92/642210892.db2.gz IRLKYXROBNVLSV-ZDUSSCGKSA-N 2 1 266.433 2.307 20 0 CEADMP CCOCCCNC(=[NH2+])NCCCC[N@H+]1CCCC[C@@H]1C ZINC000848989283 642211272 /nfs/dbraw/zinc/21/12/72/642211272.db2.gz LHDHZJNMOAQTOY-HNNXBMFYSA-N 2 1 298.475 2.182 20 0 CEADMP CCCC[N@@H+](C)CCNC(=[NH2+])NCCc1cccs1 ZINC000849005407 642221635 /nfs/dbraw/zinc/22/16/35/642221635.db2.gz CQBKSPXIQTUNJN-UHFFFAOYSA-N 2 1 282.457 2.136 20 0 CEADMP CCCC[N@@H+](C)CCNC(=[NH2+])NCc1ccccc1OC ZINC000849005452 642221914 /nfs/dbraw/zinc/22/19/14/642221914.db2.gz FPVNRSIIOPPDLH-UHFFFAOYSA-N 2 1 292.427 2.041 20 0 CEADMP CC[C@@H](C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000771837025 642227852 /nfs/dbraw/zinc/22/78/52/642227852.db2.gz QKNCIOSFQUJXHT-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1 ZINC000849027683 642241268 /nfs/dbraw/zinc/24/12/68/642241268.db2.gz DWNNPAMMXLIVSM-INIZCTEOSA-N 2 1 288.439 2.217 20 0 CEADMP Cc1ccc(CNC(=[NH2+])NCC[N@H+]2CCCC2(C)C)cc1 ZINC000849039248 642250503 /nfs/dbraw/zinc/25/05/03/642250503.db2.gz PILPSGLIPFMHQO-UHFFFAOYSA-N 2 1 288.439 2.483 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921625011 642286510 /nfs/dbraw/zinc/28/65/10/642286510.db2.gz OCNIHAPWWLRSQD-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921625011 642286513 /nfs/dbraw/zinc/28/65/13/642286513.db2.gz OCNIHAPWWLRSQD-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP CCc1[nH]nc(Cl)c1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000921717760 642559597 /nfs/dbraw/zinc/55/95/97/642559597.db2.gz MWZCMWMSJAAKQG-JTQLQIEISA-N 2 1 270.808 2.057 20 0 CEADMP Cc1nn(C)c(C[NH2+]CCCCn2cc[nH+]c2C)c1Cl ZINC000921774293 642603558 /nfs/dbraw/zinc/60/35/58/642603558.db2.gz DECWTNPMKCMJCW-UHFFFAOYSA-N 2 1 295.818 2.457 20 0 CEADMP CC[C@@H]1C[C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000850396157 642699624 /nfs/dbraw/zinc/69/96/24/642699624.db2.gz HJETWUJJRURFLQ-HYVNUMGLSA-N 2 1 296.455 2.035 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)[C@H]2CCC[C@H]21 ZINC000850523140 642740332 /nfs/dbraw/zinc/74/03/32/642740332.db2.gz ARBPNIMEHLSLRV-LJISPDSOSA-N 2 1 264.413 2.160 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2SCCS2)[C@H](C)C1 ZINC000850560404 642752518 /nfs/dbraw/zinc/75/25/18/642752518.db2.gz DRVHGRNFGJQMHR-MNOVXSKESA-N 2 1 260.472 2.112 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC001002159338 642756966 /nfs/dbraw/zinc/75/69/66/642756966.db2.gz QWLQJZWEBPWRNN-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[C@H](C)C[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922385751 643057384 /nfs/dbraw/zinc/05/73/84/643057384.db2.gz AJIXCRJKCZNHPZ-UTSKFRMZSA-N 2 1 282.472 2.492 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccs1)C2 ZINC000922385411 643057646 /nfs/dbraw/zinc/05/76/46/643057646.db2.gz BGXISFZKGQTZAF-LVQVYYBASA-N 2 1 294.464 2.317 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)C[NH+](C)C ZINC000922753303 643243806 /nfs/dbraw/zinc/24/38/06/643243806.db2.gz NYUVDYDCLMUXHZ-HZPDHXFCSA-N 2 1 298.471 2.425 20 0 CEADMP Cc1ccccc1[C@@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000852109150 643311799 /nfs/dbraw/zinc/31/17/99/643311799.db2.gz WPICGCPNKRWLIS-ZWKOTPCHSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccccc1[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852109150 643311803 /nfs/dbraw/zinc/31/18/03/643311803.db2.gz WPICGCPNKRWLIS-ZWKOTPCHSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccccc1[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852109150 643311807 /nfs/dbraw/zinc/31/18/07/643311807.db2.gz WPICGCPNKRWLIS-ZWKOTPCHSA-N 2 1 288.435 2.446 20 0 CEADMP C[N@@H+](CCC[NH2+]C[C@H](O)C1CC1)C1CCCCC1 ZINC000840742682 643436430 /nfs/dbraw/zinc/43/64/30/643436430.db2.gz LWRZXQFPGYIEKP-HNNXBMFYSA-N 2 1 254.418 2.002 20 0 CEADMP COCC[N@H+](Cc1cccnc1C)CC1CC[NH+](C)CC1 ZINC000877665525 650840577 /nfs/dbraw/zinc/84/05/77/650840577.db2.gz YFCGWSUVYOMZAH-UHFFFAOYSA-N 2 1 291.439 2.180 20 0 CEADMP Cc1ccc(NCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000922927344 643455549 /nfs/dbraw/zinc/45/55/49/643455549.db2.gz GZNCOYQQPSJVBA-GJZGRUSLSA-N 2 1 274.412 2.018 20 0 CEADMP C1CC1([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCCO1 ZINC000923028554 643523388 /nfs/dbraw/zinc/52/33/88/643523388.db2.gz RGGOHNCPSVUNIW-RRFJBIMHSA-N 2 1 264.413 2.305 20 0 CEADMP C1CC1([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCCO1 ZINC000923028556 643523650 /nfs/dbraw/zinc/52/36/50/643523650.db2.gz RGGOHNCPSVUNIW-SOUVJXGZSA-N 2 1 264.413 2.305 20 0 CEADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCCC2(CCCC2)C1 ZINC000852750206 643534364 /nfs/dbraw/zinc/53/43/64/643534364.db2.gz NVESOAIZLDGUQY-AWEZNQCLSA-N 2 1 264.413 2.164 20 0 CEADMP CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852754369 643538402 /nfs/dbraw/zinc/53/84/02/643538402.db2.gz UKQMTSLSKIJFSA-HOCLYGCPSA-N 2 1 296.455 2.430 20 0 CEADMP [NH3+]CCCCCCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000852899952 643594093 /nfs/dbraw/zinc/59/40/93/643594093.db2.gz PFBZHJRGRKHJQB-GJZGRUSLSA-N 2 1 281.444 2.029 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H](O)CCc1ccccc1 ZINC000923279071 643636415 /nfs/dbraw/zinc/63/64/15/643636415.db2.gz CKNOVERGCDGLEF-USXIJHARSA-N 2 1 276.424 2.182 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@H](O)CCc1ccccc1 ZINC000923279071 643636419 /nfs/dbraw/zinc/63/64/19/643636419.db2.gz CKNOVERGCDGLEF-USXIJHARSA-N 2 1 276.424 2.182 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923289676 643643493 /nfs/dbraw/zinc/64/34/93/643643493.db2.gz RUXOKJATAKTUDE-KFWWJZLASA-N 2 1 256.434 2.377 20 0 CEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000923300301 643645288 /nfs/dbraw/zinc/64/52/88/643645288.db2.gz QOUDTSRNYXGZEC-ZIAGYGMSSA-N 2 1 288.794 2.476 20 0 CEADMP CC[N@H+](CCC[NH2+]C1CC1)Cc1ccc2c(c1)OCO2 ZINC000923300875 643649259 /nfs/dbraw/zinc/64/92/59/643649259.db2.gz BGOMQYGZYZSVLV-UHFFFAOYSA-N 2 1 276.380 2.379 20 0 CEADMP CC[N@@H+](CCC[NH2+]C1CC1)Cc1ccc2c(c1)OCO2 ZINC000923300875 643649261 /nfs/dbraw/zinc/64/92/61/643649261.db2.gz BGOMQYGZYZSVLV-UHFFFAOYSA-N 2 1 276.380 2.379 20 0 CEADMP C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923304293 643651981 /nfs/dbraw/zinc/65/19/81/643651981.db2.gz QPWPUGKGXCUEOC-PNRVRQOCSA-N 2 1 278.440 2.408 20 0 CEADMP CC[C@H]1c2ccsc2CC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923305951 643652069 /nfs/dbraw/zinc/65/20/69/643652069.db2.gz NAXLATBRTXVBLA-OCCSQVGLSA-N 2 1 292.448 2.436 20 0 CEADMP C[N@@H+](CCC[NH2+]C1CC1)[C@@H](CCO)c1ccccc1 ZINC000923316072 643654795 /nfs/dbraw/zinc/65/47/95/643654795.db2.gz QANJUGWDDPOMAQ-INIZCTEOSA-N 2 1 262.397 2.184 20 0 CEADMP C[N@@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923310880 643658186 /nfs/dbraw/zinc/65/81/86/643658186.db2.gz DHOHSSUCVMILQR-ZDUSSCGKSA-N 2 1 298.789 2.289 20 0 CEADMP C[N@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923310880 643658192 /nfs/dbraw/zinc/65/81/92/643658192.db2.gz DHOHSSUCVMILQR-ZDUSSCGKSA-N 2 1 298.789 2.289 20 0 CEADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923311825 643658506 /nfs/dbraw/zinc/65/85/06/643658506.db2.gz YEOSPAZFNKLNEN-YDHLFZDLSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CN(C)c2ccccc2C[N@H+]1CCC[NH2+]C1CC1 ZINC000923323844 643663436 /nfs/dbraw/zinc/66/34/36/643663436.db2.gz ALOGSXBLCPOKFH-CQSZACIVSA-N 2 1 273.424 2.469 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)CC(F)(F)F ZINC000923357899 643677383 /nfs/dbraw/zinc/67/73/83/643677383.db2.gz AMJQFLQLQZELRA-AGIUHOORSA-N 2 1 294.361 2.011 20 0 CEADMP C[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C1CC([NH3+])C1 ZINC000923363375 643679928 /nfs/dbraw/zinc/67/99/28/643679928.db2.gz VCGKQKWPJBKZHO-SRHKJQAYSA-N 2 1 289.206 2.448 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C1CC([NH3+])C1 ZINC000923363375 643679930 /nfs/dbraw/zinc/67/99/30/643679930.db2.gz VCGKQKWPJBKZHO-SRHKJQAYSA-N 2 1 289.206 2.448 20 0 CEADMP Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c(C)c1 ZINC000923368203 643681945 /nfs/dbraw/zinc/68/19/45/643681945.db2.gz NOWCXQSUELEOON-GOEBONIOSA-N 2 1 294.439 2.006 20 0 CEADMP CC(=O)c1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1CC1)CC2 ZINC000923373394 643684479 /nfs/dbraw/zinc/68/44/79/643684479.db2.gz NWJLTSXJVNGIGW-UHFFFAOYSA-N 2 1 286.419 2.432 20 0 CEADMP CC(=O)c1ccc2c(c1)CC[N@H+](CCC[NH2+]C1CC1)CC2 ZINC000923373394 643684482 /nfs/dbraw/zinc/68/44/82/643684482.db2.gz NWJLTSXJVNGIGW-UHFFFAOYSA-N 2 1 286.419 2.432 20 0 CEADMP Cc1cc(C2CC[NH+](CCC[NH2+]C3CC3)CC2)n[nH]1 ZINC000923376764 643686452 /nfs/dbraw/zinc/68/64/52/643686452.db2.gz OKZALYFFWJDOSE-UHFFFAOYSA-N 2 1 262.401 2.040 20 0 CEADMP Cc1cc(C2CC[NH+](CCC[NH2+]C3CC3)CC2)[nH]n1 ZINC000923376764 643686455 /nfs/dbraw/zinc/68/64/55/643686455.db2.gz OKZALYFFWJDOSE-UHFFFAOYSA-N 2 1 262.401 2.040 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000923382032 643688343 /nfs/dbraw/zinc/68/83/43/643688343.db2.gz IQRGLCJMFWJWLS-FAXLKDOZSA-N 2 1 280.387 2.164 20 0 CEADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923384974 643689854 /nfs/dbraw/zinc/68/98/54/643689854.db2.gz RFQCGFCZTVIKCF-CABCVRRESA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)c1ccc2c(c1)C[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)CC2 ZINC000923385379 643691542 /nfs/dbraw/zinc/69/15/42/643691542.db2.gz BPSVKUIRLMESLX-ULQDDVLXSA-N 2 1 274.408 2.019 20 0 CEADMP CN(c1ccccc1)[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923394511 643694783 /nfs/dbraw/zinc/69/47/83/643694783.db2.gz BPHJATBVAUEAKA-KRWDZBQOSA-N 2 1 273.424 2.339 20 0 CEADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923413288 643702085 /nfs/dbraw/zinc/70/20/85/643702085.db2.gz VSNMEWHETQANRT-VIOGHGGCSA-N 2 1 264.413 2.043 20 0 CEADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479808 643730934 /nfs/dbraw/zinc/73/09/34/643730934.db2.gz STDXNQPQRSTPIV-HOCLYGCPSA-N 2 1 289.423 2.383 20 0 CEADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923482327 643732077 /nfs/dbraw/zinc/73/20/77/643732077.db2.gz DMZTUKPNUMVMAR-NSHDSACASA-N 2 1 292.814 2.397 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923480966 643732281 /nfs/dbraw/zinc/73/22/81/643732281.db2.gz NEVVGLPDJCFKEW-IUODEOHRSA-N 2 1 266.360 2.184 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)CC[C@@H]1C[NH3+] ZINC000923496375 643733713 /nfs/dbraw/zinc/73/37/13/643733713.db2.gz BPGKMEAHAYXVCU-CMPLNLGQSA-N 2 1 296.798 2.485 20 0 CEADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923492101 643736103 /nfs/dbraw/zinc/73/61/03/643736103.db2.gz NKPLOYPVQKRXMG-NWDGAFQWSA-N 2 1 295.814 2.338 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccc(Br)cn2)CC[C@@H]1C[NH3+] ZINC000923493556 643736922 /nfs/dbraw/zinc/73/69/22/643736922.db2.gz IMZDDKRXIUYRTL-GHMZBOCLSA-N 2 1 298.228 2.261 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cn2)CC[C@@H]1C[NH3+] ZINC000923493556 643736924 /nfs/dbraw/zinc/73/69/24/643736924.db2.gz IMZDDKRXIUYRTL-GHMZBOCLSA-N 2 1 298.228 2.261 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499656 643741001 /nfs/dbraw/zinc/74/10/01/643741001.db2.gz MQLOYVMRIAAPBT-OWCLPIDISA-N 2 1 297.487 2.378 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)CC[C@H]1C[NH3+] ZINC000923500392 643742389 /nfs/dbraw/zinc/74/23/89/643742389.db2.gz OFXKXAKXOJCHHV-KGLIPLIRSA-N 2 1 261.413 2.169 20 0 CEADMP CO[C@@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000923516148 643746854 /nfs/dbraw/zinc/74/68/54/643746854.db2.gz XWCIVOXFDNRTSN-KYOSRNDESA-N 2 1 266.360 2.040 20 0 CEADMP c1ccc([C@@H]2CC[C@H](C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)O2)cc1 ZINC000923515713 643747384 /nfs/dbraw/zinc/74/73/84/643747384.db2.gz KXOKFIQBWIYRIH-MLHJIOFPSA-N 2 1 286.419 2.448 20 0 CEADMP Cc1cc(N[C@H]2CC[N@H+](C3CCCCC3)C2)nc(N)[nH+]1 ZINC000853849528 643921246 /nfs/dbraw/zinc/92/12/46/643921246.db2.gz CEPKZIHCUXFVCL-LBPRGKRZSA-N 2 1 275.400 2.186 20 0 CEADMP Cc1ccncc1CCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877740190 650882214 /nfs/dbraw/zinc/88/22/14/650882214.db2.gz IXSFULMSWDTHAK-SJORKVTESA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccncc1CCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877740190 650882216 /nfs/dbraw/zinc/88/22/16/650882216.db2.gz IXSFULMSWDTHAK-SJORKVTESA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccncc1CCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877740190 650882219 /nfs/dbraw/zinc/88/22/19/650882219.db2.gz IXSFULMSWDTHAK-SJORKVTESA-N 2 1 273.424 2.349 20 0 CEADMP c1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000112120199 644029299 /nfs/dbraw/zinc/02/92/99/644029299.db2.gz XPUMPVHJSIXRLM-UHFFFAOYSA-N 2 1 259.378 2.465 20 0 CEADMP Cn1cncc1CC[N@@H+](C)CCc1ccccc1F ZINC000838840562 644041217 /nfs/dbraw/zinc/04/12/17/644041217.db2.gz BAZNERREFULQBF-UHFFFAOYSA-N 2 1 261.344 2.276 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000838903790 644062518 /nfs/dbraw/zinc/06/25/18/644062518.db2.gz BZCOJZTXCGHRCE-KGLIPLIRSA-N 2 1 282.428 2.182 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]CC1([NH+](C)C)CCCC1 ZINC000838895225 644072533 /nfs/dbraw/zinc/07/25/33/644072533.db2.gz OUWFVVWOSDEUDG-UHFFFAOYSA-N 2 1 284.444 2.430 20 0 CEADMP C[C@H](Cc1cccc(F)c1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000839195373 644189241 /nfs/dbraw/zinc/18/92/41/644189241.db2.gz HZEPJXKQJLKDAN-RHSMWYFYSA-N 2 1 294.414 2.145 20 0 CEADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000839195373 644189244 /nfs/dbraw/zinc/18/92/44/644189244.db2.gz HZEPJXKQJLKDAN-RHSMWYFYSA-N 2 1 294.414 2.145 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC000855288479 644295093 /nfs/dbraw/zinc/29/50/93/644295093.db2.gz JOCFYNZRPPRVTF-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CC/C(C)=C(/C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346776 644311437 /nfs/dbraw/zinc/31/14/37/644311437.db2.gz MAQLSWQLXKWGEL-RHIYTYFCSA-N 2 1 283.460 2.121 20 0 CEADMP CC/C(C)=C(/C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346776 644311445 /nfs/dbraw/zinc/31/14/45/644311445.db2.gz MAQLSWQLXKWGEL-RHIYTYFCSA-N 2 1 283.460 2.121 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](C)C1 ZINC000855360125 644315724 /nfs/dbraw/zinc/31/57/24/644315724.db2.gz CCCAJMIRSLEPLS-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000855360125 644315731 /nfs/dbraw/zinc/31/57/31/644315731.db2.gz CCCAJMIRSLEPLS-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1 ZINC000855360125 644315734 /nfs/dbraw/zinc/31/57/34/644315734.db2.gz CCCAJMIRSLEPLS-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CO[C@H](C)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877794243 650912292 /nfs/dbraw/zinc/91/22/92/650912292.db2.gz HZWHOWBSAAMGBD-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP COC(=O)/C(C)=C\C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754465511 644376976 /nfs/dbraw/zinc/37/69/76/644376976.db2.gz OZZPOBZDZAILNK-MJBYGXEJSA-N 2 1 294.439 2.348 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000754795940 644431914 /nfs/dbraw/zinc/43/19/14/644431914.db2.gz RWUGUZXWIZLMQZ-YQQAZPJKSA-N 2 1 274.408 2.245 20 0 CEADMP C([C@@H]1CCC[NH2+]1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000843060723 644803659 /nfs/dbraw/zinc/80/36/59/644803659.db2.gz MYYXWYMADYEGGU-KRWDZBQOSA-N 2 1 279.472 2.326 20 0 CEADMP CCOC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000858093383 645058984 /nfs/dbraw/zinc/05/89/84/645058984.db2.gz ZWIVBPIQBCQJAY-AWEZNQCLSA-N 2 1 297.443 2.070 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc(Cl)cs1 ZINC000858621959 645222238 /nfs/dbraw/zinc/22/22/38/645222238.db2.gz HPFGKNJJKVNKKN-JTQLQIEISA-N 2 1 290.864 2.480 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc(Cl)cs1 ZINC000858621959 645222242 /nfs/dbraw/zinc/22/22/42/645222242.db2.gz HPFGKNJJKVNKKN-JTQLQIEISA-N 2 1 290.864 2.480 20 0 CEADMP Cc1nccn1CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212140 645420566 /nfs/dbraw/zinc/42/05/66/645420566.db2.gz GQLALMUCHCKDOA-UHFFFAOYSA-N 2 1 286.423 2.385 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212140 645420570 /nfs/dbraw/zinc/42/05/70/645420570.db2.gz GQLALMUCHCKDOA-UHFFFAOYSA-N 3 1 286.423 2.385 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212140 645420574 /nfs/dbraw/zinc/42/05/74/645420574.db2.gz GQLALMUCHCKDOA-UHFFFAOYSA-N 3 1 286.423 2.385 20 0 CEADMP CCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215027 645423553 /nfs/dbraw/zinc/42/35/53/645423553.db2.gz XHOFMMMDOBLWNW-CQSZACIVSA-N 2 1 291.439 2.095 20 0 CEADMP CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215027 645423556 /nfs/dbraw/zinc/42/35/56/645423556.db2.gz XHOFMMMDOBLWNW-CQSZACIVSA-N 2 1 291.439 2.095 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000878235467 651042307 /nfs/dbraw/zinc/04/23/07/651042307.db2.gz HFYDBDKCAPDUNZ-BPUTZDHNSA-N 2 1 266.429 2.406 20 0 CEADMP COC[C@H](CC(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765975877 645829609 /nfs/dbraw/zinc/82/96/09/645829609.db2.gz MEUIOZNGZJCWOG-IRXDYDNUSA-N 2 1 298.471 2.281 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](CC3CC3)CC2)o1 ZINC000766135264 645851986 /nfs/dbraw/zinc/85/19/86/645851986.db2.gz AFTAQWDCJHMOQZ-OAHLLOKOSA-N 2 1 278.396 2.085 20 0 CEADMP C[N@H+]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000766410031 645882001 /nfs/dbraw/zinc/88/20/01/645882001.db2.gz XFZXHDUWJKHLGF-OAHLLOKOSA-N 2 1 265.445 2.077 20 0 CEADMP CN1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000766410031 645882003 /nfs/dbraw/zinc/88/20/03/645882003.db2.gz XFZXHDUWJKHLGF-OAHLLOKOSA-N 2 1 265.445 2.077 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000878287287 651053232 /nfs/dbraw/zinc/05/32/32/651053232.db2.gz YJFUJDSUVUKQTR-JHNDHUHGSA-N 2 1 278.440 2.360 20 0 CEADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000878287287 651053235 /nfs/dbraw/zinc/05/32/35/651053235.db2.gz YJFUJDSUVUKQTR-JHNDHUHGSA-N 2 1 278.440 2.360 20 0 CEADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000878287287 651053238 /nfs/dbraw/zinc/05/32/38/651053238.db2.gz YJFUJDSUVUKQTR-JHNDHUHGSA-N 2 1 278.440 2.360 20 0 CEADMP CCCCC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000768159631 646092213 /nfs/dbraw/zinc/09/22/13/646092213.db2.gz PDZRPSYNMXFXAK-HOTGVXAUSA-N 2 1 268.445 2.488 20 0 CEADMP CCCCC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000768159631 646092219 /nfs/dbraw/zinc/09/22/19/646092219.db2.gz PDZRPSYNMXFXAK-HOTGVXAUSA-N 2 1 268.445 2.488 20 0 CEADMP C[C@H]1CCC[C@@H](C[NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000768595153 646141918 /nfs/dbraw/zinc/14/19/18/646141918.db2.gz OVPYYUXFQDPHRO-DLBZAZTESA-N 2 1 281.488 2.430 20 0 CEADMP Cc1c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccnc1F ZINC000862254446 646382954 /nfs/dbraw/zinc/38/29/54/646382954.db2.gz ZPMVIPJVZFVNAE-HUUCEWRRSA-N 2 1 277.387 2.445 20 0 CEADMP Cc1c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccnc1F ZINC000862268298 646386134 /nfs/dbraw/zinc/38/61/34/646386134.db2.gz DCGZOCXEPSZUJG-LBPRGKRZSA-N 2 1 263.360 2.103 20 0 CEADMP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CO2 ZINC000863543493 646751897 /nfs/dbraw/zinc/75/18/97/646751897.db2.gz ZYJNFGQNDLTBQG-GOEBONIOSA-N 2 1 272.392 2.254 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCC[C@H]1C ZINC000774124791 646807025 /nfs/dbraw/zinc/80/70/25/646807025.db2.gz XSFUTMSNJYPQPI-DQIHPLBOSA-N 2 1 279.472 2.464 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+]1CCCC[C@H]1C ZINC000774124791 646807028 /nfs/dbraw/zinc/80/70/28/646807028.db2.gz XSFUTMSNJYPQPI-DQIHPLBOSA-N 2 1 279.472 2.464 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+]1CCCC[C@H]1C ZINC000774124791 646807032 /nfs/dbraw/zinc/80/70/32/646807032.db2.gz XSFUTMSNJYPQPI-DQIHPLBOSA-N 2 1 279.472 2.464 20 0 CEADMP CCc1noc(C)c1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000776168536 647030394 /nfs/dbraw/zinc/03/03/94/647030394.db2.gz PKCFTNQGMARWHY-LLVKDONJSA-N 2 1 263.385 2.458 20 0 CEADMP CN(C)c1ccc(F)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000865412414 647282202 /nfs/dbraw/zinc/28/22/02/647282202.db2.gz NQFMLTGFCSQGHG-ZDUSSCGKSA-N 2 1 291.414 2.466 20 0 CEADMP CN(C)c1ccc(F)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000865412414 647282206 /nfs/dbraw/zinc/28/22/06/647282206.db2.gz NQFMLTGFCSQGHG-ZDUSSCGKSA-N 2 1 291.414 2.466 20 0 CEADMP COc1cncc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000865483208 647319118 /nfs/dbraw/zinc/31/91/18/647319118.db2.gz GMRDBVKXDFANCO-LSDHHAIUSA-N 2 1 277.412 2.361 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@@H]1CCSC1 ZINC000865652137 647407293 /nfs/dbraw/zinc/40/72/93/647407293.db2.gz QJDDTCNPSKUJCB-GFCCVEGCSA-N 2 1 265.426 2.380 20 0 CEADMP Cn1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccnc21 ZINC000865812824 647475278 /nfs/dbraw/zinc/47/52/78/647475278.db2.gz VQHGNWPXVRZOLK-HZPDHXFCSA-N 2 1 298.434 2.332 20 0 CEADMP Cc1ccc(CNc2cc(C)[nH+]c(N)n2)c(N2CCCC2)[nH+]1 ZINC000781387281 647522897 /nfs/dbraw/zinc/52/28/97/647522897.db2.gz IIJHYTPJCATDIY-UHFFFAOYSA-N 2 1 298.394 2.283 20 0 CEADMP C[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000783291487 647706284 /nfs/dbraw/zinc/70/62/84/647706284.db2.gz PIEXSIDZXRMFTB-XOKHGSTOSA-N 2 1 274.408 2.141 20 0 CEADMP CCOCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000783470500 647719427 /nfs/dbraw/zinc/71/94/27/647719427.db2.gz IZXPQGNICGMQDW-MRXNPFEDSA-N 2 1 292.423 2.443 20 0 CEADMP CCOCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000783470500 647719433 /nfs/dbraw/zinc/71/94/33/647719433.db2.gz IZXPQGNICGMQDW-MRXNPFEDSA-N 2 1 292.423 2.443 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)CC1(C)OCCO1 ZINC000866427135 647783580 /nfs/dbraw/zinc/78/35/80/647783580.db2.gz IVGCOTAUUGXBRH-JJXSEGSLSA-N 2 1 296.455 2.238 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC[N@H+]1C ZINC000866538309 647819918 /nfs/dbraw/zinc/81/99/18/647819918.db2.gz QOPCLQWYBUDWRD-HNKHHVNMSA-N 2 1 266.429 2.121 20 0 CEADMP CC1(C)CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)OC1 ZINC000866668342 647862474 /nfs/dbraw/zinc/86/24/74/647862474.db2.gz DFVLYDPRYJYORE-GZBFAFLISA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)OC1 ZINC000866668342 647862478 /nfs/dbraw/zinc/86/24/78/647862478.db2.gz DFVLYDPRYJYORE-GZBFAFLISA-N 2 1 252.402 2.005 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000866707418 647878503 /nfs/dbraw/zinc/87/85/03/647878503.db2.gz OCQSSBSOGGHHDL-GDBMZVCRSA-N 3 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@@]1(CN)CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000866707418 647878507 /nfs/dbraw/zinc/87/85/07/647878507.db2.gz OCQSSBSOGGHHDL-GDBMZVCRSA-N 2 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@@]1(CN)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000866707418 647878513 /nfs/dbraw/zinc/87/85/13/647878513.db2.gz OCQSSBSOGGHHDL-GDBMZVCRSA-N 2 1 267.461 2.073 20 0 CEADMP C[C@H](CNc1nc(N2CCCC2)cc[nH+]1)C[NH+]1CCCC1 ZINC000785761065 647954901 /nfs/dbraw/zinc/95/49/01/647954901.db2.gz WCADNXNDDDVZFK-CQSZACIVSA-N 2 1 289.427 2.221 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc[nH]c(=O)c1 ZINC000791133489 648483504 /nfs/dbraw/zinc/48/35/04/648483504.db2.gz BRBBXAATCDIKOR-IACUBPJLSA-N 2 1 261.369 2.065 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc[nH]c(=O)c1 ZINC000791133489 648483505 /nfs/dbraw/zinc/48/35/05/648483505.db2.gz BRBBXAATCDIKOR-IACUBPJLSA-N 2 1 261.369 2.065 20 0 CEADMP CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000792220231 648625850 /nfs/dbraw/zinc/62/58/50/648625850.db2.gz AFTFMIKVPIJCBC-CQSZACIVSA-N 2 1 284.444 2.380 20 0 CEADMP COC(C)(C)CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784702 649184276 /nfs/dbraw/zinc/18/42/76/649184276.db2.gz ISPDLTCLDHQLGF-YHWZYXNKSA-N 2 1 283.416 2.173 20 0 CEADMP COC(C)(C)CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784702 649184281 /nfs/dbraw/zinc/18/42/81/649184281.db2.gz ISPDLTCLDHQLGF-YHWZYXNKSA-N 2 1 283.416 2.173 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)[C@@H](C)C1 ZINC000872109858 649280333 /nfs/dbraw/zinc/28/03/33/649280333.db2.gz SRRSJUCUKFPOPJ-QXKUPLGCSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000872142509 649291172 /nfs/dbraw/zinc/29/11/72/649291172.db2.gz YZLKWUZWUPROEZ-BFHYXJOUSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000872142509 649291174 /nfs/dbraw/zinc/29/11/74/649291174.db2.gz YZLKWUZWUPROEZ-BFHYXJOUSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@H]1CCCC[C@H]1OCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154338 649298782 /nfs/dbraw/zinc/29/87/82/649298782.db2.gz XNPOKWWVPHFXQU-CAOSSQGBSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H]1CCCC[C@H]1OCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154338 649298785 /nfs/dbraw/zinc/29/87/85/649298785.db2.gz XNPOKWWVPHFXQU-CAOSSQGBSA-N 2 1 266.429 2.123 20 0 CEADMP CN(C)C(=O)CC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158649 649300413 /nfs/dbraw/zinc/30/04/13/649300413.db2.gz WRIXPKDVRDYVOI-GDBMZVCRSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872279905 649341578 /nfs/dbraw/zinc/34/15/78/649341578.db2.gz MJLQJVFBTVWGLT-QXSJWSMHSA-N 2 1 295.471 2.131 20 0 CEADMP C[N@H+]1CC[C@H]2CN(c3cc[nH+]cc3C3CC3)CC[C@H]21 ZINC000872626060 649444155 /nfs/dbraw/zinc/44/41/55/649444155.db2.gz MCFSXYQYADJKNQ-DZGCQCFKSA-N 2 1 257.381 2.489 20 0 CEADMP O=C1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CCN1 ZINC000873148930 649570769 /nfs/dbraw/zinc/57/07/69/649570769.db2.gz JTJCAJPSCLSKSS-GDBMZVCRSA-N 2 1 293.455 2.042 20 0 CEADMP O=C1CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CCN1 ZINC000873148930 649570772 /nfs/dbraw/zinc/57/07/72/649570772.db2.gz JTJCAJPSCLSKSS-GDBMZVCRSA-N 2 1 293.455 2.042 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873156994 649574318 /nfs/dbraw/zinc/57/43/18/649574318.db2.gz PPLYAJYZDDNEFK-NOLJZWGESA-N 2 1 275.396 2.195 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)CCCCC1 ZINC000873211440 649591838 /nfs/dbraw/zinc/59/18/38/649591838.db2.gz ZZLGJFAHULLJGX-UHFFFAOYSA-N 3 1 279.453 2.145 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@@H]1CC[NH3+] ZINC000873213710 649592188 /nfs/dbraw/zinc/59/21/88/649592188.db2.gz NLWAMZMXWGGIPN-SWLSCSKDSA-N 3 1 293.480 2.343 20 0 CEADMP C[C@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)[C@@H]1CC[NH3+] ZINC000873213710 649592192 /nfs/dbraw/zinc/59/21/92/649592192.db2.gz NLWAMZMXWGGIPN-SWLSCSKDSA-N 2 1 293.480 2.343 20 0 CEADMP CCn1nccc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000873223034 649597167 /nfs/dbraw/zinc/59/71/67/649597167.db2.gz HFJYYDLCDHQLQZ-HNNXBMFYSA-N 2 1 264.417 2.100 20 0 CEADMP CCn1nccc1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000873223034 649597169 /nfs/dbraw/zinc/59/71/69/649597169.db2.gz HFJYYDLCDHQLQZ-HNNXBMFYSA-N 2 1 264.417 2.100 20 0 CEADMP Cc1csc([C@@H]2CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000873227108 649598543 /nfs/dbraw/zinc/59/85/43/649598543.db2.gz HDSCVORKURPHRJ-TZMCWYRMSA-N 2 1 265.426 2.240 20 0 CEADMP COc1cc(C[N@@H+](C)CCCCCC[NH3+])cc2c1OCO2 ZINC000873231490 649602793 /nfs/dbraw/zinc/60/27/93/649602793.db2.gz KQWNITQGNILTMX-UHFFFAOYSA-N 2 1 294.395 2.375 20 0 CEADMP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ncc[nH]1 ZINC000873233932 649603532 /nfs/dbraw/zinc/60/35/32/649603532.db2.gz BPMCYJMTWPZWFA-OCCSQVGLSA-N 2 1 258.369 2.020 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC(C)(C)CN1 ZINC000873236194 649603982 /nfs/dbraw/zinc/60/39/82/649603982.db2.gz YIXBOYYLLMETPJ-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)n1 ZINC000873237495 649605005 /nfs/dbraw/zinc/60/50/05/649605005.db2.gz PZZPTYGNARMMAK-HIFRSBDPSA-N 2 1 291.439 2.389 20 0 CEADMP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000873243363 649606873 /nfs/dbraw/zinc/60/68/73/649606873.db2.gz XHLBNPXHZRFDNU-GOEBONIOSA-N 3 1 267.461 2.085 20 0 CEADMP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1c[nH+]ccc1N ZINC000873249133 649608714 /nfs/dbraw/zinc/60/87/14/649608714.db2.gz KXQCUGUOBVMFBR-FUJMWEONSA-N 3 1 276.428 2.408 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1noc2ccc(F)cc21 ZINC000873250190 649609206 /nfs/dbraw/zinc/60/92/06/649609206.db2.gz QDHFSKBEUPRLRZ-IUCAKERBSA-N 2 1 251.305 2.182 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)C1CC[NH2+]CC1 ZINC000873271706 649620144 /nfs/dbraw/zinc/62/01/44/649620144.db2.gz LMXKRBDGXZQXOW-KNXALSJPSA-N 2 1 259.397 2.109 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1c[nH+]ccc1N ZINC000873282187 649625007 /nfs/dbraw/zinc/62/50/07/649625007.db2.gz RKUNJPPHAONQFI-JUFZMCDQSA-N 2 1 261.369 2.102 20 0 CEADMP C[N@@H+](CCCOC(F)(F)F)CCC[NH+]1CCCC1 ZINC000878550311 651128145 /nfs/dbraw/zinc/12/81/45/651128145.db2.gz SOKUQEAUEISQMD-UHFFFAOYSA-N 2 1 268.323 2.331 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCOC(F)(F)F)C2 ZINC000878662890 651157023 /nfs/dbraw/zinc/15/70/23/651157023.db2.gz SSHNIEBPAOXSKH-LBPRGKRZSA-N 2 1 280.334 2.331 20 0 CEADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCOC(F)(F)F)C2 ZINC000878662890 651157018 /nfs/dbraw/zinc/15/70/18/651157018.db2.gz SSHNIEBPAOXSKH-LBPRGKRZSA-N 2 1 280.334 2.331 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCOC(F)(F)F)C2 ZINC000878662890 651157020 /nfs/dbraw/zinc/15/70/20/651157020.db2.gz SSHNIEBPAOXSKH-LBPRGKRZSA-N 2 1 280.334 2.331 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)c3ccccc3F)C2)CC1 ZINC000878865167 651200361 /nfs/dbraw/zinc/20/03/61/651200361.db2.gz UCJWFWLOTTZJNQ-MRXNPFEDSA-N 2 1 292.398 2.277 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H]2CCC3(CCC3)O2)CCO1 ZINC000879000255 651225609 /nfs/dbraw/zinc/22/56/09/651225609.db2.gz AHCZUMJPNLYVNO-JKSUJKDBSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H]2CCC3(CCC3)O2)CCO1 ZINC000879000255 651225611 /nfs/dbraw/zinc/22/56/11/651225611.db2.gz AHCZUMJPNLYVNO-JKSUJKDBSA-N 2 1 296.455 2.131 20 0 CEADMP COCC[N@@H+](C[C@H](OC)C1CCC1)CC1CC[NH+](C)CC1 ZINC000879126591 651247519 /nfs/dbraw/zinc/24/75/19/651247519.db2.gz KMOSDTNQALJMIF-KRWDZBQOSA-N 2 1 298.471 2.092 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879564191 651322404 /nfs/dbraw/zinc/32/24/04/651322404.db2.gz XNAHPFAQFFKYPI-MELADBBJSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879564191 651322405 /nfs/dbraw/zinc/32/24/05/651322405.db2.gz XNAHPFAQFFKYPI-MELADBBJSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879564191 651322406 /nfs/dbraw/zinc/32/24/06/651322406.db2.gz XNAHPFAQFFKYPI-MELADBBJSA-N 2 1 254.443 2.156 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3)CC[C@H]21 ZINC000879572732 651324227 /nfs/dbraw/zinc/32/42/27/651324227.db2.gz QOMXUEWLSZHOLU-GOEBONIOSA-N 2 1 287.407 2.041 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3)CC[C@H]21 ZINC000879572732 651324229 /nfs/dbraw/zinc/32/42/29/651324229.db2.gz QOMXUEWLSZHOLU-GOEBONIOSA-N 2 1 287.407 2.041 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3)CC[C@H]21 ZINC000879572732 651324230 /nfs/dbraw/zinc/32/42/30/651324230.db2.gz QOMXUEWLSZHOLU-GOEBONIOSA-N 2 1 287.407 2.041 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3)CC[C@H]21 ZINC000879572732 651324233 /nfs/dbraw/zinc/32/42/33/651324233.db2.gz QOMXUEWLSZHOLU-GOEBONIOSA-N 2 1 287.407 2.041 20 0 CEADMP CC1([NH+]2CCCCC2)CC[NH+](CCc2cn[nH]c2)CC1 ZINC000879951802 651364174 /nfs/dbraw/zinc/36/41/74/651364174.db2.gz RLBHIEVSVYPXJS-UHFFFAOYSA-N 2 1 276.428 2.293 20 0 CEADMP CCC1([NH+]2CCCCC2)CC[NH+](CCCO)CC1 ZINC000880256166 651410870 /nfs/dbraw/zinc/41/08/70/651410870.db2.gz FYXMLICTHQADTD-UHFFFAOYSA-N 2 1 254.418 2.099 20 0 CEADMP CO[C@@H]1CC[C@H]([N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC000880259082 651411687 /nfs/dbraw/zinc/41/16/87/651411687.db2.gz MIXGTTVHRBAONJ-CWRNSKLLSA-N 2 1 275.396 2.160 20 0 CEADMP C[C@H]1CN(CC[C@H]2CCC[N@H+]2C)CCN1c1cc[nH+]cc1 ZINC000880259730 651411801 /nfs/dbraw/zinc/41/18/01/651411801.db2.gz HCLJUOANROOWGC-JKSUJKDBSA-N 2 1 288.439 2.076 20 0 CEADMP C[C@@H]1C[N@@H+](CCC2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000880259293 651411823 /nfs/dbraw/zinc/41/18/23/651411823.db2.gz PEEYMKKMNVMVFZ-OAHLLOKOSA-N 2 1 289.423 2.409 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)O1 ZINC000880260209 651412095 /nfs/dbraw/zinc/41/20/95/651412095.db2.gz NZWXFCWTBRHNNV-IIAWOOMASA-N 2 1 275.396 2.160 20 0 CEADMP COCC[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880263500 651412519 /nfs/dbraw/zinc/41/25/19/651412519.db2.gz YNQWHQYNHUDIFA-KGLIPLIRSA-N 2 1 263.385 2.017 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@]1(C)c1ccccc1)C1CC1 ZINC000880371819 651431348 /nfs/dbraw/zinc/43/13/48/651431348.db2.gz OBBBWZLZQHEDFU-QZTJIDSGSA-N 2 1 288.435 2.453 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@]1(C)c1ccccc1)C1CC1 ZINC000880371819 651431350 /nfs/dbraw/zinc/43/13/50/651431350.db2.gz OBBBWZLZQHEDFU-QZTJIDSGSA-N 2 1 288.435 2.453 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@]1(C)c1ccccc1)C1CC1 ZINC000880371819 651431352 /nfs/dbraw/zinc/43/13/52/651431352.db2.gz OBBBWZLZQHEDFU-QZTJIDSGSA-N 2 1 288.435 2.453 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@]1(C)c1ccccc1)C1CC1 ZINC000880371819 651431355 /nfs/dbraw/zinc/43/13/55/651431355.db2.gz OBBBWZLZQHEDFU-QZTJIDSGSA-N 2 1 288.435 2.453 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC[C@H]1CCOC1=O ZINC000880517381 651454331 /nfs/dbraw/zinc/45/43/31/651454331.db2.gz PMTDCNRLEGREBA-HNNXBMFYSA-N 2 1 282.428 2.138 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000882942846 652280848 /nfs/dbraw/zinc/28/08/48/652280848.db2.gz RYJWWCFHXKDXJG-CYBMUJFWSA-N 2 1 290.363 2.208 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000882942846 652280853 /nfs/dbraw/zinc/28/08/53/652280853.db2.gz RYJWWCFHXKDXJG-CYBMUJFWSA-N 2 1 290.363 2.208 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000882942847 652281194 /nfs/dbraw/zinc/28/11/94/652281194.db2.gz RYJWWCFHXKDXJG-ZDUSSCGKSA-N 2 1 290.363 2.208 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000882942847 652281200 /nfs/dbraw/zinc/28/12/00/652281200.db2.gz RYJWWCFHXKDXJG-ZDUSSCGKSA-N 2 1 290.363 2.208 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1(C)C ZINC000883111807 652366549 /nfs/dbraw/zinc/36/65/49/652366549.db2.gz QFAIVHWXHOLBQC-ZSHCYNCHSA-N 2 1 279.472 2.181 20 0 CEADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1(CC2CC2)CC1 ZINC000883254251 652415831 /nfs/dbraw/zinc/41/58/31/652415831.db2.gz OBGBWRDUIPXDQB-INIZCTEOSA-N 2 1 278.440 2.410 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C2CCC3(COC3)CC2)[C@H]2CCC[C@H]21 ZINC000883382883 652451210 /nfs/dbraw/zinc/45/12/10/652451210.db2.gz OUVISCCSNBJWKI-OWCLPIDISA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000883417446 652462331 /nfs/dbraw/zinc/46/23/31/652462331.db2.gz ADRDWSNCFKSGEW-XHSDSOJGSA-N 2 1 296.455 2.021 20 0 CEADMP C[C@](C[NH3+])([NH2+]C[C@H]1CC(C)(C)OC1(C)C)C1CC1 ZINC000883418922 652462547 /nfs/dbraw/zinc/46/25/47/652462547.db2.gz WABLYHLGJKHDKM-IUODEOHRSA-N 2 1 254.418 2.297 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883423750 652465163 /nfs/dbraw/zinc/46/51/63/652465163.db2.gz UMWSPZNFUBWGKE-YVSFHVDLSA-N 2 1 297.462 2.273 20 0 CEADMP FC1(F)CCC[C@@H]1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000883427981 652466503 /nfs/dbraw/zinc/46/65/03/652466503.db2.gz IJFIBCIWYRJEKX-JHJVBQTASA-N 2 1 258.356 2.496 20 0 CEADMP FC1(F)CCC[C@@H]1CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000883427981 652466505 /nfs/dbraw/zinc/46/65/05/652466505.db2.gz IJFIBCIWYRJEKX-JHJVBQTASA-N 2 1 258.356 2.496 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000883430457 652467325 /nfs/dbraw/zinc/46/73/25/652467325.db2.gz VPVRJBVAWZERCK-ZIAGYGMSSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000883430457 652467326 /nfs/dbraw/zinc/46/73/26/652467326.db2.gz VPVRJBVAWZERCK-ZIAGYGMSSA-N 2 1 263.385 2.255 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)[C@H]1CC[NH3+] ZINC000883435062 652468770 /nfs/dbraw/zinc/46/87/70/652468770.db2.gz JQEVDWSSDSEBJH-OAGGEKHMSA-N 2 1 296.455 2.164 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)o1 ZINC000883434256 652469073 /nfs/dbraw/zinc/46/90/73/652469073.db2.gz LDSXHFUBOOYMCH-LLVKDONJSA-N 2 1 263.385 2.255 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000883438320 652470095 /nfs/dbraw/zinc/47/00/95/652470095.db2.gz QKIDBYXTNLUQOS-HZPDHXFCSA-N 2 1 296.455 2.166 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000883438320 652470096 /nfs/dbraw/zinc/47/00/96/652470096.db2.gz QKIDBYXTNLUQOS-HZPDHXFCSA-N 2 1 296.455 2.166 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884219210 652755913 /nfs/dbraw/zinc/75/59/13/652755913.db2.gz KDYMBSLXBKXQRU-DZGCQCFKSA-N 2 1 295.471 2.131 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884221020 652756607 /nfs/dbraw/zinc/75/66/07/652756607.db2.gz HRXVFKLUBFSGAM-CABCVRRESA-N 2 1 283.460 2.001 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CCC(C)C ZINC001087522986 805666506 /nfs/dbraw/zinc/66/65/06/805666506.db2.gz FCVXHFVYAWIIQH-ARFHVFGLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CCC(C)C ZINC001087522986 805666513 /nfs/dbraw/zinc/66/65/13/805666513.db2.gz FCVXHFVYAWIIQH-ARFHVFGLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CCC(C)C ZINC001087522986 805666517 /nfs/dbraw/zinc/66/65/17/805666517.db2.gz FCVXHFVYAWIIQH-ARFHVFGLSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001271253499 805901974 /nfs/dbraw/zinc/90/19/74/805901974.db2.gz GPBDUBURVUSAPQ-LSDHHAIUSA-N 2 1 283.460 2.001 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001029755637 806064049 /nfs/dbraw/zinc/06/40/49/806064049.db2.gz NKJGYKATQFKTLD-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001029755637 806064058 /nfs/dbraw/zinc/06/40/58/806064058.db2.gz NKJGYKATQFKTLD-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001029755637 806064066 /nfs/dbraw/zinc/06/40/66/806064066.db2.gz NKJGYKATQFKTLD-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CCC ZINC001271750919 806077557 /nfs/dbraw/zinc/07/75/57/806077557.db2.gz LSRZNLXKRBBRDE-CVEARBPZSA-N 2 1 297.487 2.345 20 0 CEADMP CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001088380439 806169267 /nfs/dbraw/zinc/16/92/67/806169267.db2.gz ICFATVMTVWKXDK-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1 ZINC001168130989 806255908 /nfs/dbraw/zinc/25/59/08/806255908.db2.gz KIYZBTUCTHTQTI-DJIMGWMZSA-N 2 1 296.455 2.129 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001029910700 806286837 /nfs/dbraw/zinc/28/68/37/806286837.db2.gz WEOHVVMDSKHSOU-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC1(Nc2cc(N)cc(C(F)(F)F)[nH+]2)CC[NH2+]CC1 ZINC001168183644 806381233 /nfs/dbraw/zinc/38/12/33/806381233.db2.gz KGGJHKJCPLXGEE-UHFFFAOYSA-N 2 1 274.290 2.237 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C2 ZINC001168230588 806424550 /nfs/dbraw/zinc/42/45/50/806424550.db2.gz LRJDMFDFTKIVBR-PBHICJAKSA-N 2 1 288.435 2.484 20 0 CEADMP COc1ccc2c(c1)C[C@@H](n1c(C)c[nH+]c1CC[NH3+])C2 ZINC001168230098 806424601 /nfs/dbraw/zinc/42/46/01/806424601.db2.gz HOPRUGKLESJUHO-AWEZNQCLSA-N 2 1 271.364 2.041 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001168247525 806439902 /nfs/dbraw/zinc/43/99/02/806439902.db2.gz JQDDHZFMTXHOGQ-MRXNPFEDSA-N 2 1 286.419 2.379 20 0 CEADMP CSCC[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093509410 806513482 /nfs/dbraw/zinc/51/34/82/806513482.db2.gz ZVEMZJXEUCLUSM-UHFFFAOYSA-N 2 1 282.453 2.422 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H]3CCCO[C@H]3C2)CC1 ZINC001168313442 806645558 /nfs/dbraw/zinc/64/55/58/806645558.db2.gz CZLGYUWFZFDVRB-LBDPXKHJSA-N 2 1 266.429 2.360 20 0 CEADMP C[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)CC[C@]1(C)O ZINC001168315255 806648387 /nfs/dbraw/zinc/64/83/87/806648387.db2.gz SXZNVHVUBINDLC-LBDPXKHJSA-N 2 1 268.445 2.342 20 0 CEADMP Cc1cc(C[N@@H+](C)C2CCC([NH+](C)C)CC2)n(C)n1 ZINC001168322400 806652582 /nfs/dbraw/zinc/65/25/82/806652582.db2.gz AQCXDBQVYODMES-UHFFFAOYSA-N 2 1 264.417 2.033 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCc3ncccc3C2)CC1 ZINC001168324589 806653160 /nfs/dbraw/zinc/65/31/60/806653160.db2.gz QNKLKXBXEZIAPH-UHFFFAOYSA-N 2 1 259.397 2.313 20 0 CEADMP C[NH+](C)C1CCC([NH+]2CCN(C3CCCC3)CC2)CC1 ZINC001168323409 806654828 /nfs/dbraw/zinc/65/48/28/806654828.db2.gz YJCHXZJJUSCMAK-UHFFFAOYSA-N 2 1 279.472 2.419 20 0 CEADMP CC(C)[C@@H]1COCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168327915 806657351 /nfs/dbraw/zinc/65/73/51/806657351.db2.gz SWVWLYXOEFDFFL-NRXISQOPSA-N 2 1 254.418 2.216 20 0 CEADMP CCN(CC)[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168328214 806658896 /nfs/dbraw/zinc/65/88/96/806658896.db2.gz ZUWIPVNPXCCJQO-GPANFISMSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+](CC)[C@H]1CCN(C2CCC([NH+](C)C)CC2)C1 ZINC001168328214 806658902 /nfs/dbraw/zinc/65/89/02/806658902.db2.gz ZUWIPVNPXCCJQO-GPANFISMSA-N 2 1 267.461 2.275 20 0 CEADMP OCc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168356732 806685688 /nfs/dbraw/zinc/68/56/88/806685688.db2.gz VHELFZRXUGPHDA-UHFFFAOYSA-N 2 1 274.408 2.143 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000387586850 806844013 /nfs/dbraw/zinc/84/40/13/806844013.db2.gz ORRUILCAYSYPMK-XHSDSOJGSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000387586850 806844017 /nfs/dbraw/zinc/84/40/17/806844017.db2.gz ORRUILCAYSYPMK-XHSDSOJGSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000348391328 806964516 /nfs/dbraw/zinc/96/45/16/806964516.db2.gz IEHRJUHGXSLWAY-GJZGRUSLSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)CCC[C@H]1O ZINC001208184546 802376414 /nfs/dbraw/zinc/37/64/14/802376414.db2.gz NBURNGLFHYEMAO-HUUCEWRRSA-N 2 1 268.445 2.201 20 0 CEADMP CCCCCC[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266293046 802393795 /nfs/dbraw/zinc/39/37/95/802393795.db2.gz GGGDJJZFPIKXAJ-UHFFFAOYSA-N 2 1 295.471 2.243 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)[C@@H](C)O)CC1 ZINC001167078936 802401683 /nfs/dbraw/zinc/40/16/83/802401683.db2.gz YLAQTNOIAWMPNP-ZIAGYGMSSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](CC(C)(C)OCC)C[C@@H]2C1 ZINC001209076100 802466801 /nfs/dbraw/zinc/46/68/01/802466801.db2.gz HGRCVFSTAALFQA-OKILXGFUSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](CC(C)(C)OCC)C[C@@H]2C1 ZINC001209076100 802466804 /nfs/dbraw/zinc/46/68/04/802466804.db2.gz HGRCVFSTAALFQA-OKILXGFUSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](CC(C)(C)OCC)C[C@@H]2C1 ZINC001209076100 802466807 /nfs/dbraw/zinc/46/68/07/802466807.db2.gz HGRCVFSTAALFQA-OKILXGFUSA-N 2 1 254.418 2.075 20 0 CEADMP Cc1cc2[nH]ccc2c(N2CCc3[nH+]ccn3CC2)[nH+]1 ZINC001167182558 802562891 /nfs/dbraw/zinc/56/28/91/802562891.db2.gz MVYMWHFHVAJUIB-UHFFFAOYSA-N 2 1 267.336 2.131 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)CC[C@@H]1[NH3+] ZINC000721420817 802589166 /nfs/dbraw/zinc/58/91/66/802589166.db2.gz BQBVHTHBPLTDIR-NOOOWODRSA-N 2 1 280.334 2.156 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)CC[C@@H]1[NH3+] ZINC000721420817 802589167 /nfs/dbraw/zinc/58/91/67/802589167.db2.gz BQBVHTHBPLTDIR-NOOOWODRSA-N 2 1 280.334 2.156 20 0 CEADMP CC(C)C[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001167223826 802589921 /nfs/dbraw/zinc/58/99/21/802589921.db2.gz AVRDXPWLKDLIIV-OAHLLOKOSA-N 2 1 295.471 2.003 20 0 CEADMP CCCC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001167232906 802592938 /nfs/dbraw/zinc/59/29/38/802592938.db2.gz UHQLCDHJEUPTCB-HNNXBMFYSA-N 2 1 295.471 2.004 20 0 CEADMP c1ccc(CN2C[C@H]3C[NH+](CC4CC[NH2+]CC4)C[C@@H]3C2)cc1 ZINC000705955888 802596042 /nfs/dbraw/zinc/59/60/42/802596042.db2.gz RKUZJMFFWVEUCP-OALUTQOASA-N 2 1 299.462 2.050 20 0 CEADMP CC(C)[N@@H+](C)CCCNCc1cccc2c1OCC2 ZINC000693149382 802678559 /nfs/dbraw/zinc/67/85/59/802678559.db2.gz CSMHWQWMYONCGH-UHFFFAOYSA-N 2 1 262.397 2.441 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc2c(c1)OCO2 ZINC000710805856 809994566 /nfs/dbraw/zinc/99/45/66/809994566.db2.gz WPGMVXSZQYLRAR-UHFFFAOYSA-N 2 1 264.369 2.366 20 0 CEADMP C[C@H]1C[C@H](n2cncc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398166399 802806836 /nfs/dbraw/zinc/80/68/36/802806836.db2.gz DNABWYZOKBCPQN-ZFWWWQNUSA-N 2 1 270.380 2.177 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001211278287 802807422 /nfs/dbraw/zinc/80/74/22/802807422.db2.gz RELBSJSXDYRFRD-HNNXBMFYSA-N 2 1 297.487 2.343 20 0 CEADMP FC(F)(F)[C@@H]1CC[C@@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)O1 ZINC000721457129 802815074 /nfs/dbraw/zinc/81/50/74/802815074.db2.gz GZHHOLOCWGVFHH-RYUDHWBXSA-N 2 1 292.345 2.172 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000723609300 802902939 /nfs/dbraw/zinc/90/29/39/802902939.db2.gz LSDSYZPOIWBDKI-LVQVYYBASA-N 2 1 266.429 2.123 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)CCO1 ZINC001170195889 812343066 /nfs/dbraw/zinc/34/30/66/812343066.db2.gz LIGQMHWWNNFVGQ-GVDBMIGSSA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)CCO1 ZINC001170195889 812343077 /nfs/dbraw/zinc/34/30/77/812343077.db2.gz LIGQMHWWNNFVGQ-GVDBMIGSSA-N 2 1 296.455 2.035 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000723677178 802923987 /nfs/dbraw/zinc/92/39/87/802923987.db2.gz RTHWHSACAFDAOI-LLVKDONJSA-N 2 1 261.325 2.105 20 0 CEADMP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723695114 802925976 /nfs/dbraw/zinc/92/59/76/802925976.db2.gz JZJAUZXLMDOUKN-GFCCVEGCSA-N 2 1 295.814 2.258 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1Cl ZINC000723696340 802926095 /nfs/dbraw/zinc/92/60/95/802926095.db2.gz UKKJQTAISPMHAJ-GFCCVEGCSA-N 2 1 295.814 2.258 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCCOCc2ccccc2)C[NH2+]1 ZINC000399025125 802935505 /nfs/dbraw/zinc/93/55/05/802935505.db2.gz GXTGMSABNMWVRY-GDBMZVCRSA-N 2 1 262.397 2.323 20 0 CEADMP Cc1cc(C)nc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000723846208 802947798 /nfs/dbraw/zinc/94/77/98/802947798.db2.gz QCJTYXVHNWEPTK-HOCLYGCPSA-N 2 1 259.397 2.259 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CC[C@H](C(F)(F)F)O2)C[C@H]1CC[NH3+] ZINC000723886238 802963712 /nfs/dbraw/zinc/96/37/12/802963712.db2.gz IKQSJVNKSRAGLD-DDHJBXDOSA-N 2 1 280.334 2.013 20 0 CEADMP COCc1cccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000723919080 802967412 /nfs/dbraw/zinc/96/74/12/802967412.db2.gz JUBHXQZDJIEBEF-CZUORRHYSA-N 2 1 262.397 2.250 20 0 CEADMP CC(C)=CC[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001266976095 803033112 /nfs/dbraw/zinc/03/31/12/803033112.db2.gz SOKXTHYFPLCJRO-CQSZACIVSA-N 2 1 292.427 2.067 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@@](C)(C[NH3+])C3)c2c1C ZINC001158678051 812909820 /nfs/dbraw/zinc/90/98/20/812909820.db2.gz AONUQMCCUOSJTA-HNNXBMFYSA-N 2 1 273.384 2.140 20 0 CEADMP CCc1noc([C@H]2CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)n1 ZINC001207283501 803128148 /nfs/dbraw/zinc/12/81/48/803128148.db2.gz ZOKVREFSRGDCLI-ZDUSSCGKSA-N 2 1 294.443 2.399 20 0 CEADMP CCc1noc([C@H]2CCC[N@@H+](CC(C)(C)C[NH+](C)C)C2)n1 ZINC001207283501 803128154 /nfs/dbraw/zinc/12/81/54/803128154.db2.gz ZOKVREFSRGDCLI-ZDUSSCGKSA-N 2 1 294.443 2.399 20 0 CEADMP CCCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267142827 803160036 /nfs/dbraw/zinc/16/00/36/803160036.db2.gz XCVLXDQWYXQUPB-JYJNAYRXSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H](O)CC2CCCC2)[C@H]1CC[NH3+] ZINC000404285961 803240335 /nfs/dbraw/zinc/24/03/35/803240335.db2.gz HVADJHFNXWFVSX-BMFZPTHFSA-N 2 1 268.445 2.377 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCC(O)CC2)C1 ZINC001117738263 814941667 /nfs/dbraw/zinc/94/16/67/814941667.db2.gz DTVFVYNIUABAPY-PCKAHOCUSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2CCC(O)CC2)C1 ZINC001117738263 814941672 /nfs/dbraw/zinc/94/16/72/814941672.db2.gz DTVFVYNIUABAPY-PCKAHOCUSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2CCC(O)CC2)C1 ZINC001117738263 814941677 /nfs/dbraw/zinc/94/16/77/814941677.db2.gz DTVFVYNIUABAPY-PCKAHOCUSA-N 2 1 268.445 2.201 20 0 CEADMP CCCC[NH+]1CCN(Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140803757 803557807 /nfs/dbraw/zinc/55/78/07/803557807.db2.gz VMWQPLYGDGTDDG-UHFFFAOYSA-N 2 1 272.396 2.481 20 0 CEADMP C[C@@H]1[NH2+]C[C@@H]1Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001218385771 803595400 /nfs/dbraw/zinc/59/54/00/803595400.db2.gz LLGMBBXNHQIABN-ZANVPECISA-N 2 1 299.212 2.250 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715397174 814952798 /nfs/dbraw/zinc/95/27/98/814952798.db2.gz WJNUVTOWLLKQFJ-XHXGSEDSSA-N 2 1 266.429 2.249 20 0 CEADMP Clc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000709293655 803809421 /nfs/dbraw/zinc/80/94/21/803809421.db2.gz UKXMVAVDJSADMM-FUNVUKJBSA-N 2 1 251.761 2.108 20 0 CEADMP FC(F)(F)c1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709304538 803814469 /nfs/dbraw/zinc/81/44/69/803814469.db2.gz NNFZVPAURQLHMM-FOSCPWQOSA-N 2 1 285.313 2.473 20 0 CEADMP C[NH+]1CCC(CC[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)CC1 ZINC001207488179 803815692 /nfs/dbraw/zinc/81/56/92/803815692.db2.gz HMDYBKAEGFRWPW-HUUCEWRRSA-N 2 1 264.413 2.019 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000709358546 803827760 /nfs/dbraw/zinc/82/77/60/803827760.db2.gz XUUWBXYVZLJZMZ-BPQIPLTHSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000709358546 803827767 /nfs/dbraw/zinc/82/77/67/803827767.db2.gz XUUWBXYVZLJZMZ-BPQIPLTHSA-N 3 1 287.451 2.239 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000709358546 803827777 /nfs/dbraw/zinc/82/77/77/803827777.db2.gz XUUWBXYVZLJZMZ-BPQIPLTHSA-N 3 1 287.451 2.239 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccccc1N1CCCC1 ZINC001117953723 814968928 /nfs/dbraw/zinc/96/89/28/814968928.db2.gz NPESNTKGXIFCJI-OAHLLOKOSA-N 2 1 261.413 2.360 20 0 CEADMP CCCn1nccc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715530410 814972863 /nfs/dbraw/zinc/97/28/63/814972863.db2.gz XXVZFNYMRKONHO-KBPBESRZSA-N 2 1 264.417 2.256 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027103874 803957251 /nfs/dbraw/zinc/95/72/51/803957251.db2.gz HNRWVFDKDXDKGF-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)[C@H]1CCC[NH2+]1 ZINC000423104483 804111877 /nfs/dbraw/zinc/11/18/77/804111877.db2.gz BODQHSFDGQQYBB-BPLDGKMQSA-N 2 1 260.381 2.110 20 0 CEADMP Cc1[nH+]c(N)ccc1CNc1cc[nH+]c2c1ccn2C ZINC001167787367 804199064 /nfs/dbraw/zinc/19/90/64/804199064.db2.gz WWRQHDYWKWYRFS-UHFFFAOYSA-N 2 1 267.336 2.471 20 0 CEADMP COc1ccc(CCC[N@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001207586103 804397082 /nfs/dbraw/zinc/39/70/82/804397082.db2.gz UVFQGTVHYWVPMJ-UHFFFAOYSA-N 2 1 285.391 2.383 20 0 CEADMP COc1ccc(CCC[N@@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001207586103 804397089 /nfs/dbraw/zinc/39/70/89/804397089.db2.gz UVFQGTVHYWVPMJ-UHFFFAOYSA-N 2 1 285.391 2.383 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](C(=O)OC)C2(CC2)C1 ZINC001167836170 804428669 /nfs/dbraw/zinc/42/86/69/804428669.db2.gz WTRJTEPEKDSPBJ-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC001167836742 804430285 /nfs/dbraw/zinc/43/02/85/804430285.db2.gz GNCYHHUGBIMWIO-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCOC2(CCOCC2)C1 ZINC001167837167 804430866 /nfs/dbraw/zinc/43/08/66/804430866.db2.gz IVPNEXUKOLRADD-INIZCTEOSA-N 2 1 298.471 2.378 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2cnn(C)c2C1 ZINC001167840980 804443403 /nfs/dbraw/zinc/44/34/03/804443403.db2.gz IWMLFEJSJNXOND-CQSZACIVSA-N 2 1 278.444 2.289 20 0 CEADMP CO[C@H](C[N@H+]1CCCC2(CC[NH2+]CC2)C1)C1CCC1 ZINC001118505240 815021565 /nfs/dbraw/zinc/02/15/65/815021565.db2.gz ADBDRISFTJESPK-OAHLLOKOSA-N 2 1 266.429 2.267 20 0 CEADMP Cn1c(Cl)cnc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692913948 804499508 /nfs/dbraw/zinc/49/95/08/804499508.db2.gz ZAQLDHVHMCAJAS-ZDUSSCGKSA-N 2 1 296.846 2.285 20 0 CEADMP Cn1c(Cl)cnc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692913948 804499512 /nfs/dbraw/zinc/49/95/12/804499512.db2.gz ZAQLDHVHMCAJAS-ZDUSSCGKSA-N 2 1 296.846 2.285 20 0 CEADMP [NH2+]=C(NCCCC[NH3+])Nc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001167883238 804564882 /nfs/dbraw/zinc/56/48/82/804564882.db2.gz FMBNCWPTNDDZGM-UHFFFAOYSA-N 2 1 296.378 2.391 20 0 CEADMP CCCCCC[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001268327627 804611477 /nfs/dbraw/zinc/61/14/77/804611477.db2.gz MBWTXHHXLKRSAN-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001268327627 804611482 /nfs/dbraw/zinc/61/14/82/804611482.db2.gz MBWTXHHXLKRSAN-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(C)C ZINC001268372480 804638515 /nfs/dbraw/zinc/63/85/15/804638515.db2.gz ZFJGJBJIZNIWJA-GJZGRUSLSA-N 2 1 283.460 2.001 20 0 CEADMP Cc1noc(-c2ccc(NC(=[NH2+])SCC[NH3+])cc2)c1N ZINC001167912040 804694967 /nfs/dbraw/zinc/69/49/67/804694967.db2.gz JWRZQKDZUNWBFM-UHFFFAOYSA-N 2 1 291.380 2.271 20 0 CEADMP N=C(Nc1ccc([C@@H]2CCC[NH2+]2)cc1)SCC[NH3+] ZINC001167915313 804708858 /nfs/dbraw/zinc/70/88/58/804708858.db2.gz SSAIYKZABQWCAT-LBPRGKRZSA-N 2 1 264.398 2.150 20 0 CEADMP O[C@@]1(CF)CCCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168374293 806981422 /nfs/dbraw/zinc/98/14/22/806981422.db2.gz YLTBRDBDBRZGHQ-MRXNPFEDSA-N 2 1 284.419 2.047 20 0 CEADMP CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001028537936 804835366 /nfs/dbraw/zinc/83/53/66/804835366.db2.gz VPJHGVWKNVDDIA-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028537936 804835372 /nfs/dbraw/zinc/83/53/72/804835372.db2.gz VPJHGVWKNVDDIA-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537936 804835379 /nfs/dbraw/zinc/83/53/79/804835379.db2.gz VPJHGVWKNVDDIA-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC1=CC[N@@H+](CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001118742036 815039653 /nfs/dbraw/zinc/03/96/53/815039653.db2.gz ITEWURMBQMMHJE-UHFFFAOYSA-N 2 1 298.390 2.025 20 0 CEADMP C[N@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CCCC(C)(C)C)C1 ZINC001268625713 804894956 /nfs/dbraw/zinc/89/49/56/804894956.db2.gz JYLHKBXVBFHFAH-YVACAVLKSA-N 2 1 295.471 2.026 20 0 CEADMP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268664594 804918441 /nfs/dbraw/zinc/91/84/41/804918441.db2.gz NONWXMJVERTVHY-HZPDHXFCSA-N 2 1 295.471 2.310 20 0 CEADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)[NH2+]CC=C(C)C ZINC001269401697 805154506 /nfs/dbraw/zinc/15/45/06/805154506.db2.gz DXBAFOZSTCHTBQ-JKSUJKDBSA-N 2 1 295.471 2.310 20 0 CEADMP CC/C=C\CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001269407398 805155328 /nfs/dbraw/zinc/15/53/28/805155328.db2.gz DGOQTHRDZUSLRA-IPKJDTEVSA-N 2 1 295.471 2.167 20 0 CEADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167952257 805183534 /nfs/dbraw/zinc/18/35/34/805183534.db2.gz NCYSPEWBFKOBAJ-HDEZJCGLSA-N 2 1 278.440 2.360 20 0 CEADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCOCC1)C2 ZINC001167958177 805285371 /nfs/dbraw/zinc/28/53/71/805285371.db2.gz DBBYOFHIIWFQNA-MQVJKMGUSA-N 2 1 264.413 2.160 20 0 CEADMP CCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001270227990 805376233 /nfs/dbraw/zinc/37/62/33/805376233.db2.gz DEEZANUFDZFBFZ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@H+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167964038 805443095 /nfs/dbraw/zinc/44/30/95/805443095.db2.gz LSYNXKCAHLRGPD-HMQMGEFJSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964038 805443100 /nfs/dbraw/zinc/44/31/00/805443100.db2.gz LSYNXKCAHLRGPD-HMQMGEFJSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964038 805443106 /nfs/dbraw/zinc/44/31/06/805443106.db2.gz LSYNXKCAHLRGPD-HMQMGEFJSA-N 2 1 277.456 2.076 20 0 CEADMP CN1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964038 805443111 /nfs/dbraw/zinc/44/31/11/805443111.db2.gz LSYNXKCAHLRGPD-HMQMGEFJSA-N 2 1 277.456 2.076 20 0 CEADMP CN1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964038 805443116 /nfs/dbraw/zinc/44/31/16/805443116.db2.gz LSYNXKCAHLRGPD-HMQMGEFJSA-N 2 1 277.456 2.076 20 0 CEADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@@H]1O ZINC001167982794 805517171 /nfs/dbraw/zinc/51/71/71/805517171.db2.gz AOQFZBHQLMKRTH-JDACHINLSA-N 2 1 278.440 2.095 20 0 CEADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@@H]1O ZINC001167982794 805517176 /nfs/dbraw/zinc/51/71/76/805517176.db2.gz AOQFZBHQLMKRTH-JDACHINLSA-N 2 1 278.440 2.095 20 0 CEADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@@H]1O ZINC001167982794 805517178 /nfs/dbraw/zinc/51/71/78/805517178.db2.gz AOQFZBHQLMKRTH-JDACHINLSA-N 2 1 278.440 2.095 20 0 CEADMP C[C@@H]1CC[C@@H](CO)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167985604 805542727 /nfs/dbraw/zinc/54/27/27/805542727.db2.gz YRQKTFCXEYQURS-KTALTATCSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1CC[C@@H](CO)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167985604 805542733 /nfs/dbraw/zinc/54/27/33/805542733.db2.gz YRQKTFCXEYQURS-KTALTATCSA-N 2 1 292.467 2.485 20 0 CEADMP Cc1[nH]c(CN2CCC(C)([NH+]3CCCC3)CC2)c[nH+]1 ZINC001232465393 807261109 /nfs/dbraw/zinc/26/11/09/807261109.db2.gz LEQABVFAWUJLJA-UHFFFAOYSA-N 2 1 262.401 2.168 20 0 CEADMP CC(C)(C)CC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127257015 807538260 /nfs/dbraw/zinc/53/82/60/807538260.db2.gz UWCIFGJHAZSLHP-CABCVRRESA-N 2 1 295.471 2.003 20 0 CEADMP CN1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716638441 815136925 /nfs/dbraw/zinc/13/69/25/815136925.db2.gz OXCUPKQUOLXWSS-VJANTYMQSA-N 2 1 299.462 2.333 20 0 CEADMP C[N@@H+]1CC[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)C1 ZINC000716638441 815136929 /nfs/dbraw/zinc/13/69/29/815136929.db2.gz OXCUPKQUOLXWSS-VJANTYMQSA-N 2 1 299.462 2.333 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)C1 ZINC000716638441 815136931 /nfs/dbraw/zinc/13/69/31/815136931.db2.gz OXCUPKQUOLXWSS-VJANTYMQSA-N 2 1 299.462 2.333 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716638441 815136934 /nfs/dbraw/zinc/13/69/34/815136934.db2.gz OXCUPKQUOLXWSS-VJANTYMQSA-N 2 1 299.462 2.333 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716638441 815136937 /nfs/dbraw/zinc/13/69/37/815136937.db2.gz OXCUPKQUOLXWSS-VJANTYMQSA-N 2 1 299.462 2.333 20 0 CEADMP c1ccc2c(c1)C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CCO2 ZINC000699313150 807679724 /nfs/dbraw/zinc/67/97/24/807679724.db2.gz VBWSBVRCSZBLCX-VHRNVKJDSA-N 2 1 272.392 2.412 20 0 CEADMP [NH3+][C@@H]1CCC[N@H+](Cc2cc(Cl)cn3ccnc23)CC1 ZINC001205124018 807716810 /nfs/dbraw/zinc/71/68/10/807716810.db2.gz IVTKRXOSIXNAEF-CYBMUJFWSA-N 2 1 278.787 2.301 20 0 CEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(Cl)cn3ccnc23)CC1 ZINC001205124018 807716815 /nfs/dbraw/zinc/71/68/15/807716815.db2.gz IVTKRXOSIXNAEF-CYBMUJFWSA-N 2 1 278.787 2.301 20 0 CEADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000699515934 807734322 /nfs/dbraw/zinc/73/43/22/807734322.db2.gz PROFSGORMAZMBE-ILXRZTDVSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716709645 815143358 /nfs/dbraw/zinc/14/33/58/815143358.db2.gz BYQDUUKUNUQGRM-HJWJTTGWSA-N 2 1 274.408 2.010 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@](C)(CO)C2)CC1(C)C ZINC001171630682 815201274 /nfs/dbraw/zinc/20/12/74/815201274.db2.gz APLHFEDWYJQQOE-MRXNPFEDSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC[C@@H](O)C2)CC1(C)C ZINC001171632062 815202054 /nfs/dbraw/zinc/20/20/54/815202054.db2.gz URNBQRSTSTUYML-CQSZACIVSA-N 2 1 268.445 2.485 20 0 CEADMP C[C@H]1C[C@H](n2cc(C[NH3+])cn2)C[N@H+]1Cc1ccccc1 ZINC001171730759 815219649 /nfs/dbraw/zinc/21/96/49/815219649.db2.gz YZMGVNOGCYENBG-BBRMVZONSA-N 2 1 270.380 2.177 20 0 CEADMP CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423620 815220585 /nfs/dbraw/zinc/22/05/85/815220585.db2.gz VRXPMOWPEHVMCM-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]1C[C@@H](N2CC[C@H]([NH+](C)C)C2)C[N@H+]1Cc1ccccc1 ZINC001171743546 815221764 /nfs/dbraw/zinc/22/17/64/815221764.db2.gz BMTQPCFCQREDQM-RYQLBKOJSA-N 2 1 287.451 2.285 20 0 CEADMP CCCCCC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001203459398 808667169 /nfs/dbraw/zinc/66/71/69/808667169.db2.gz DARNCUXBXYNSSF-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP C[C@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC001171760768 815226491 /nfs/dbraw/zinc/22/64/91/815226491.db2.gz ZYWYHHRUEHTLSB-GDAAHCPNSA-N 2 1 299.462 2.428 20 0 CEADMP C[C@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171760768 815226492 /nfs/dbraw/zinc/22/64/92/815226492.db2.gz ZYWYHHRUEHTLSB-GDAAHCPNSA-N 2 1 299.462 2.428 20 0 CEADMP CC[N@H+](CC[NH2+][C@H]1C[C@@H](OC)C12CCC2)C(C)C ZINC000453090371 809036622 /nfs/dbraw/zinc/03/66/22/809036622.db2.gz KKJQBAXKVRGSPC-UONOGXRCSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@@H+](CC[NH2+][C@H]1C[C@@H](OC)C12CCC2)C(C)C ZINC000453090371 809036627 /nfs/dbraw/zinc/03/66/27/809036627.db2.gz KKJQBAXKVRGSPC-UONOGXRCSA-N 2 1 254.418 2.264 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000453214279 809042669 /nfs/dbraw/zinc/04/26/69/809042669.db2.gz JMYMZOVHWRFRLH-RDBSUJKOSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1nc(C[NH+]2CCC(C[NH3+])CC2)ccc1Br ZINC001205046264 809063793 /nfs/dbraw/zinc/06/37/93/809063793.db2.gz ACBPOQIIADERGI-UHFFFAOYSA-N 2 1 298.228 2.323 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)o1 ZINC001206152826 815259746 /nfs/dbraw/zinc/25/97/46/815259746.db2.gz BEURYZUZXAVYAB-ZIAGYGMSSA-N 2 1 254.349 2.282 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)o1 ZINC001206152826 815259750 /nfs/dbraw/zinc/25/97/50/815259750.db2.gz BEURYZUZXAVYAB-ZIAGYGMSSA-N 2 1 254.349 2.282 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001033146540 809201086 /nfs/dbraw/zinc/20/10/86/809201086.db2.gz PWGHANYYGWZZTO-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033146540 809201087 /nfs/dbraw/zinc/20/10/87/809201087.db2.gz PWGHANYYGWZZTO-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033146540 809201091 /nfs/dbraw/zinc/20/10/91/809201091.db2.gz PWGHANYYGWZZTO-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000700830235 809359252 /nfs/dbraw/zinc/35/92/52/809359252.db2.gz GZEGCBHTIJBETC-ZFWWWQNUSA-N 2 1 259.397 2.390 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000700830235 809359256 /nfs/dbraw/zinc/35/92/56/809359256.db2.gz GZEGCBHTIJBETC-ZFWWWQNUSA-N 2 1 259.397 2.390 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172104400 815293725 /nfs/dbraw/zinc/29/37/25/815293725.db2.gz FIDZLPROSNKIAP-YHUYYLMFSA-N 2 1 265.445 2.074 20 0 CEADMP CC(C)[NH+]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172104400 815293729 /nfs/dbraw/zinc/29/37/29/815293729.db2.gz FIDZLPROSNKIAP-YHUYYLMFSA-N 2 1 265.445 2.074 20 0 CEADMP CC(C)[NH+]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172104400 815293734 /nfs/dbraw/zinc/29/37/34/815293734.db2.gz FIDZLPROSNKIAP-YHUYYLMFSA-N 2 1 265.445 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H]3[C@H](CF)[C@H]3C1)C2 ZINC001172128546 815289013 /nfs/dbraw/zinc/28/90/13/815289013.db2.gz SDWRRMWGESMYQC-YGOQEGJDSA-N 2 1 252.377 2.149 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@H]3[C@H](CF)[C@H]3C1)C2 ZINC001172128546 815289016 /nfs/dbraw/zinc/28/90/16/815289016.db2.gz SDWRRMWGESMYQC-YGOQEGJDSA-N 2 1 252.377 2.149 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@H]3[C@H](CF)[C@H]3C1)C2 ZINC001172128546 815289019 /nfs/dbraw/zinc/28/90/19/815289019.db2.gz SDWRRMWGESMYQC-YGOQEGJDSA-N 2 1 252.377 2.149 20 0 CEADMP CN1CCC[C@@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001172130407 815289075 /nfs/dbraw/zinc/28/90/75/815289075.db2.gz OYDZOCYLGDXLMS-NQNKBUKLSA-N 2 1 277.456 2.028 20 0 CEADMP CN1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@H]21 ZINC001172130407 815289077 /nfs/dbraw/zinc/28/90/77/815289077.db2.gz OYDZOCYLGDXLMS-NQNKBUKLSA-N 2 1 277.456 2.028 20 0 CEADMP CN1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@H]21 ZINC001172130407 815289080 /nfs/dbraw/zinc/28/90/80/815289080.db2.gz OYDZOCYLGDXLMS-NQNKBUKLSA-N 2 1 277.456 2.028 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCC(C)C ZINC001128784487 809463495 /nfs/dbraw/zinc/46/34/95/809463495.db2.gz NMZSIDZADFTHPB-HNNXBMFYSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000701856113 809471998 /nfs/dbraw/zinc/47/19/98/809471998.db2.gz NIHFFCCIZCLGDH-RDBSUJKOSA-N 2 1 299.459 2.314 20 0 CEADMP C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000701856113 809471999 /nfs/dbraw/zinc/47/19/99/809471999.db2.gz NIHFFCCIZCLGDH-RDBSUJKOSA-N 2 1 299.459 2.314 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)C2 ZINC001172105137 815295290 /nfs/dbraw/zinc/29/52/90/815295290.db2.gz HHKLBCMAGQNWDN-UMPJEAMMSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(CCF)CC1)C2 ZINC001172104959 815296925 /nfs/dbraw/zinc/29/69/25/815296925.db2.gz FKTOAOYLRRQRFG-PHZGNYQRSA-N 2 1 283.435 2.025 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(CCF)CC1)C2 ZINC001172104959 815296929 /nfs/dbraw/zinc/29/69/29/815296929.db2.gz FKTOAOYLRRQRFG-PHZGNYQRSA-N 2 1 283.435 2.025 20 0 CEADMP COC(=O)CC1CC(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172108628 815297489 /nfs/dbraw/zinc/29/74/89/815297489.db2.gz CHOBGPITIWGSAG-VXSNREPFSA-N 2 1 294.439 2.181 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1COc3cnccc31)C2 ZINC001172108533 815298008 /nfs/dbraw/zinc/29/80/08/815298008.db2.gz BBDAZJHSTCHKJO-TUVASFSCSA-N 2 1 287.407 2.163 20 0 CEADMP CCC1(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)OCCO1 ZINC001172114330 815303309 /nfs/dbraw/zinc/30/33/09/815303309.db2.gz QPBNIJIPLSVDCJ-QDMKHBRRSA-N 2 1 282.428 2.135 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCOC[C@@H]1C1CC1)C2 ZINC001172122382 815312773 /nfs/dbraw/zinc/31/27/73/815312773.db2.gz AJPLNWRKDCQODL-FXUDXRNXSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCOC[C@@H]1C1CC1)C2 ZINC001172122382 815312780 /nfs/dbraw/zinc/31/27/80/815312780.db2.gz AJPLNWRKDCQODL-FXUDXRNXSA-N 2 1 264.413 2.113 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000703545992 809661027 /nfs/dbraw/zinc/66/10/27/809661027.db2.gz AFPNGRJFXLVDQC-FGTMMUONSA-N 2 1 287.451 2.320 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cncc3ccccc31)C2 ZINC000703581436 809666782 /nfs/dbraw/zinc/66/67/82/809666782.db2.gz CCMJMKHDEMIPLF-DOTOQJQBSA-N 2 1 267.376 2.276 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cncc3ccccc31)C2 ZINC000703581436 809666786 /nfs/dbraw/zinc/66/67/86/809666786.db2.gz CCMJMKHDEMIPLF-DOTOQJQBSA-N 2 1 267.376 2.276 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCOC[C@@H]1C1CC1)C2 ZINC001172122382 815312787 /nfs/dbraw/zinc/31/27/87/815312787.db2.gz AJPLNWRKDCQODL-FXUDXRNXSA-N 2 1 264.413 2.113 20 0 CEADMP COC(=O)[C@]1(C)CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001172121237 815308839 /nfs/dbraw/zinc/30/88/39/815308839.db2.gz CWGULZBTIWWYFI-JYYAWHABSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@]1(C)CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121237 815308848 /nfs/dbraw/zinc/30/88/48/815308848.db2.gz CWGULZBTIWWYFI-JYYAWHABSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@]1(C)CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121237 815308853 /nfs/dbraw/zinc/30/88/53/815308853.db2.gz CWGULZBTIWWYFI-JYYAWHABSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@]1(C)CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172121237 815308858 /nfs/dbraw/zinc/30/88/58/815308858.db2.gz CWGULZBTIWWYFI-JYYAWHABSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@]1(C)CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121237 815308863 /nfs/dbraw/zinc/30/88/63/815308863.db2.gz CWGULZBTIWWYFI-JYYAWHABSA-N 2 1 294.439 2.277 20 0 CEADMP C[C@@H]1CC[C@H](CO)C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172120790 815309038 /nfs/dbraw/zinc/30/90/38/815309038.db2.gz MYZGTIGWKLJQNG-LEOABGAYSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[C@H](CO)C[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120790 815309043 /nfs/dbraw/zinc/30/90/43/815309043.db2.gz MYZGTIGWKLJQNG-LEOABGAYSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[C@H](CO)C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120790 815309049 /nfs/dbraw/zinc/30/90/49/815309049.db2.gz MYZGTIGWKLJQNG-LEOABGAYSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120790 815309055 /nfs/dbraw/zinc/30/90/55/815309055.db2.gz MYZGTIGWKLJQNG-LEOABGAYSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120790 815309061 /nfs/dbraw/zinc/30/90/61/815309061.db2.gz MYZGTIGWKLJQNG-LEOABGAYSA-N 2 1 266.429 2.095 20 0 CEADMP COC1CC(C[N@@H+](CCC[NH3+])Cc2ccccc2)C1 ZINC000703844663 809697951 /nfs/dbraw/zinc/69/79/51/809697951.db2.gz SJQHGYKFVHFMMI-UHFFFAOYSA-N 2 1 262.397 2.262 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@]3(CCOC3)C1)C2 ZINC001172122239 815311230 /nfs/dbraw/zinc/31/12/30/815311230.db2.gz YCGWPVMTLKOUFC-QKPAOTATSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@]3(CCOC3)C1)C2 ZINC001172122239 815311235 /nfs/dbraw/zinc/31/12/35/815311235.db2.gz YCGWPVMTLKOUFC-QKPAOTATSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@]3(CCOC3)C1)C2 ZINC001172122239 815311239 /nfs/dbraw/zinc/31/12/39/815311239.db2.gz YCGWPVMTLKOUFC-QKPAOTATSA-N 2 1 264.413 2.114 20 0 CEADMP c1cc(C[N@H+]2CCOCC23CCC3)c2c(c1)C[NH2+]CC2 ZINC000707447491 809904752 /nfs/dbraw/zinc/90/47/52/809904752.db2.gz KZDPKEFAXJQFNP-UHFFFAOYSA-N 2 1 272.392 2.087 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](C)O1 ZINC000708391916 809929120 /nfs/dbraw/zinc/92/91/20/809929120.db2.gz YWIRYRLUTQSRLJ-WCQYABFASA-N 2 1 280.437 2.393 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](C)O1 ZINC000708391916 809929125 /nfs/dbraw/zinc/92/91/25/809929125.db2.gz YWIRYRLUTQSRLJ-WCQYABFASA-N 2 1 280.437 2.393 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC[C@@](C)(C[NH3+])C2)C(C)(C)O1 ZINC000709702963 809954421 /nfs/dbraw/zinc/95/44/21/809954421.db2.gz QINRFFUTLWJGNA-DOMZBBRYSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000709549649 809963254 /nfs/dbraw/zinc/96/32/54/809963254.db2.gz BUNUWVVAUSPDSW-WDEREUQCSA-N 2 1 250.308 2.260 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)cc(F)c1)C2 ZINC000709853935 809972788 /nfs/dbraw/zinc/97/27/88/809972788.db2.gz MJRWQDVFAABMGR-BPNCWPANSA-N 2 1 252.308 2.276 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)cc(F)c1)C2 ZINC000709853935 809972793 /nfs/dbraw/zinc/97/27/93/809972793.db2.gz MJRWQDVFAABMGR-BPNCWPANSA-N 2 1 252.308 2.276 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc3c(c1)CCC3)C2 ZINC000709859305 809973186 /nfs/dbraw/zinc/97/31/86/809973186.db2.gz IBLUUBNBBBSWOZ-JQFCIGGWSA-N 2 1 256.393 2.487 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)CC[C@H]1F ZINC001206163133 815333784 /nfs/dbraw/zinc/33/37/84/815333784.db2.gz AEXRUSVEAOSUGJ-CABCVRRESA-N 2 1 278.371 2.273 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCC2(CCC2)O1 ZINC000711405901 810067610 /nfs/dbraw/zinc/06/76/10/810067610.db2.gz DYMILQZIPOFQPF-HNNXBMFYSA-N 2 1 264.413 2.305 20 0 CEADMP CCC[N@H+](Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923298598 810084766 /nfs/dbraw/zinc/08/47/66/810084766.db2.gz XDNXVWNFGXRTJV-INIZCTEOSA-N 2 1 274.408 2.277 20 0 CEADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000923383724 810090326 /nfs/dbraw/zinc/09/03/26/810090326.db2.gz LZZJFRFZRANBHL-DZGCQCFKSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCCCCC2)CC[C@H]1C[NH3+] ZINC000923506541 810104445 /nfs/dbraw/zinc/10/44/45/810104445.db2.gz FZKVJKLQOFCXSW-CABCVRRESA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923503615 810105811 /nfs/dbraw/zinc/10/58/11/810105811.db2.gz JPRWUFNYVRZFNT-HOTGVXAUSA-N 2 1 297.487 2.044 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]C[C@@H](C)CC)C1 ZINC001164449787 810371552 /nfs/dbraw/zinc/37/15/52/810371552.db2.gz RHSCPMLXOJKMTE-JKSUJKDBSA-N 2 1 297.487 2.250 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC)C1 ZINC001082851974 810404772 /nfs/dbraw/zinc/40/47/72/810404772.db2.gz MTHYCQYKEBJHGZ-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCCCC1CC[NH2+]CC1 ZINC001121974910 815373629 /nfs/dbraw/zinc/37/36/29/815373629.db2.gz MOLXHGWLGZTBFO-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CN(C)c1nc(NCC2C[NH+](Cc3ccccc3)C2)cc[nH+]1 ZINC000716220293 810689768 /nfs/dbraw/zinc/68/97/68/810689768.db2.gz GIITZDKGWBGVHJ-UHFFFAOYSA-N 2 1 297.406 2.087 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1F ZINC001206163939 815391118 /nfs/dbraw/zinc/39/11/18/815391118.db2.gz HZOYNBCSTXLCPN-ZIAGYGMSSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1F ZINC001206163939 815391124 /nfs/dbraw/zinc/39/11/24/815391124.db2.gz HZOYNBCSTXLCPN-ZIAGYGMSSA-N 2 1 254.324 2.395 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172347221 815398559 /nfs/dbraw/zinc/39/85/59/815398559.db2.gz LNOLLBCVRYJVTP-QKPAOTATSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CCC[NH2+]C1CC1 ZINC000381721793 810824978 /nfs/dbraw/zinc/82/49/78/810824978.db2.gz LHWWCBBZQBEDDT-MRXNPFEDSA-N 2 1 287.451 2.335 20 0 CEADMP COc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001204088490 815406048 /nfs/dbraw/zinc/40/60/48/815406048.db2.gz FWDIQRGIBXIUHX-RRFJBIMHSA-N 2 1 260.381 2.125 20 0 CEADMP COc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001204088490 815406052 /nfs/dbraw/zinc/40/60/52/815406052.db2.gz FWDIQRGIBXIUHX-RRFJBIMHSA-N 2 1 260.381 2.125 20 0 CEADMP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)CC[N@H+]2C1 ZINC000723661383 811027450 /nfs/dbraw/zinc/02/74/50/811027450.db2.gz FLIVOTIIYIMRRX-WRQOLXDDSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1CC[NH3+] ZINC000723912770 811032797 /nfs/dbraw/zinc/03/27/97/811032797.db2.gz VPUSGBUUMWTJGX-CRAIPNDOSA-N 2 1 298.434 2.348 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC)C1 ZINC001086250616 811074857 /nfs/dbraw/zinc/07/48/57/811074857.db2.gz FFIQGACTILBGCS-OWCLPIDISA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2)[NH+](C)C ZINC001040260980 811100790 /nfs/dbraw/zinc/10/07/90/811100790.db2.gz JXYUNIPLIATZJW-NVXWUHKLSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c(F)cncc2F)CCC[C@@H]1C[NH3+] ZINC001205992009 811235471 /nfs/dbraw/zinc/23/54/71/811235471.db2.gz CVARLRXGLROJGI-GHMZBOCLSA-N 2 1 269.339 2.167 20 0 CEADMP CC(C)COCC[C@H](C)[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001172479313 815432051 /nfs/dbraw/zinc/43/20/51/815432051.db2.gz CEOGTVUDXDYHEH-JYJNAYRXSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC001168801334 811249355 /nfs/dbraw/zinc/24/93/55/811249355.db2.gz OWGNIBPLIMQKJM-JSGCOSHPSA-N 2 1 297.443 2.068 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2CCC(C)([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001168822101 811256717 /nfs/dbraw/zinc/25/67/17/811256717.db2.gz HNOGRXXGMOACKI-CHWSQXEVSA-N 2 1 297.443 2.198 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c3ccccc3nn2C)CCC[C@@H]1C[NH3+] ZINC001205996197 811308048 /nfs/dbraw/zinc/30/80/48/811308048.db2.gz VZSJEWPEAUPGCJ-UONOGXRCSA-N 2 1 286.423 2.380 20 0 CEADMP CCC[NH+](CCC)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169095364 811367756 /nfs/dbraw/zinc/36/77/56/811367756.db2.gz QBJIZAUORLZZNE-PHZGNYQRSA-N 2 1 267.461 2.323 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC(=O)c1ccccc1)C2 ZINC001169100973 811374708 /nfs/dbraw/zinc/37/47/08/811374708.db2.gz NHIKUSFKLBUCOA-MUJYYYPQSA-N 2 1 272.392 2.474 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC(=O)c1ccccc1)C2 ZINC001169100973 811374720 /nfs/dbraw/zinc/37/47/20/811374720.db2.gz NHIKUSFKLBUCOA-MUJYYYPQSA-N 2 1 272.392 2.474 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)C2 ZINC001169100108 811374922 /nfs/dbraw/zinc/37/49/22/811374922.db2.gz GKYVLTQDKDSCBU-NFFDBFGFSA-N 2 1 278.371 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)C2 ZINC001169100108 811374929 /nfs/dbraw/zinc/37/49/29/811374929.db2.gz GKYVLTQDKDSCBU-NFFDBFGFSA-N 2 1 278.371 2.074 20 0 CEADMP COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(OC)c1 ZINC001169081773 811379784 /nfs/dbraw/zinc/37/97/84/811379784.db2.gz WGEZDZOQVKKJQT-QDMKHBRRSA-N 2 1 290.407 2.419 20 0 CEADMP COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(OC)c1 ZINC001169081773 811379789 /nfs/dbraw/zinc/37/97/89/811379789.db2.gz WGEZDZOQVKKJQT-QDMKHBRRSA-N 2 1 290.407 2.419 20 0 CEADMP COc1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169082051 811381060 /nfs/dbraw/zinc/38/10/60/811381060.db2.gz XMVSUADAMVQDIY-QDMKHBRRSA-N 2 1 260.381 2.410 20 0 CEADMP COc1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169082051 811381070 /nfs/dbraw/zinc/38/10/70/811381070.db2.gz XMVSUADAMVQDIY-QDMKHBRRSA-N 2 1 260.381 2.410 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169092131 811382708 /nfs/dbraw/zinc/38/27/08/811382708.db2.gz YCODIFXITHVYJT-NXOAAHMSSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H]1CCCC[NH+]1CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169092131 811382718 /nfs/dbraw/zinc/38/27/18/811382718.db2.gz YCODIFXITHVYJT-NXOAAHMSSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H]1CCCC[NH+]1CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169092131 811382729 /nfs/dbraw/zinc/38/27/29/811382729.db2.gz YCODIFXITHVYJT-NXOAAHMSSA-N 2 1 279.472 2.466 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(C3CCOCC3)CC1)C2 ZINC001169090215 811385371 /nfs/dbraw/zinc/38/53/71/811385371.db2.gz IUBFGEAYFYIBNT-QDMKHBRRSA-N 2 1 264.413 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)C2 ZINC001169108908 811404144 /nfs/dbraw/zinc/40/41/44/811404144.db2.gz VXWYYUOXXBJIQA-RDGPPVDQSA-N 2 1 299.462 2.476 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc3ccc(C[NH3+])cc3n1)C2 ZINC001169108335 811404281 /nfs/dbraw/zinc/40/42/81/811404281.db2.gz RLGHEBPVTYAOOT-FICVDOATSA-N 2 1 270.380 2.293 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC1CC[NH+](CC3CC3)CC1)C2 ZINC001169114726 811405783 /nfs/dbraw/zinc/40/57/83/811405783.db2.gz XQYXKGCHGBCUOF-OSYLJGHBSA-N 2 1 277.456 2.076 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCOCC(C)C ZINC001172457988 815445570 /nfs/dbraw/zinc/44/55/70/815445570.db2.gz URVYAHNKXPEUKG-ZDUSSCGKSA-N 2 1 253.390 2.232 20 0 CEADMP CCCC[NH+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169141696 811408936 /nfs/dbraw/zinc/40/89/36/811408936.db2.gz RYLVOEYJWCPHQB-ZSHCYNCHSA-N 2 1 265.445 2.029 20 0 CEADMP CC(C)O[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169156428 811416177 /nfs/dbraw/zinc/41/61/77/811416177.db2.gz YEPHCIVBXDRJIS-LXTVHRRPSA-N 2 1 252.402 2.111 20 0 CEADMP CC(C)O[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169156428 811416184 /nfs/dbraw/zinc/41/61/84/811416184.db2.gz YEPHCIVBXDRJIS-LXTVHRRPSA-N 2 1 252.402 2.111 20 0 CEADMP CC(C)O[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169156428 811416192 /nfs/dbraw/zinc/41/61/92/811416192.db2.gz YEPHCIVBXDRJIS-LXTVHRRPSA-N 2 1 252.402 2.111 20 0 CEADMP CCCCOC(=O)[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169160333 811420828 /nfs/dbraw/zinc/42/08/28/811420828.db2.gz COSDRHKMDCHZES-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP CCCCOC(=O)[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169160333 811420832 /nfs/dbraw/zinc/42/08/32/811420832.db2.gz COSDRHKMDCHZES-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP CCCCOC(=O)[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169160333 811420837 /nfs/dbraw/zinc/42/08/37/811420837.db2.gz COSDRHKMDCHZES-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)s1 ZINC001206003581 811421844 /nfs/dbraw/zinc/42/18/44/811421844.db2.gz JWPWFXGKDBQPEA-VXGBXAGGSA-N 2 1 296.436 2.342 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(O)cc3C2)CC1 ZINC001169233949 811449931 /nfs/dbraw/zinc/44/99/31/811449931.db2.gz YQWONNBAVCPETO-MRXNPFEDSA-N 2 1 274.408 2.323 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCC)C1 ZINC001044170121 811450146 /nfs/dbraw/zinc/45/01/46/811450146.db2.gz LJDNQQUAZCQRQA-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCC)C1 ZINC001044170121 811450151 /nfs/dbraw/zinc/45/01/51/811450151.db2.gz LJDNQQUAZCQRQA-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCOC(=O)[C@@H]1CC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC001169264175 811454176 /nfs/dbraw/zinc/45/41/76/811454176.db2.gz ISSNGVXKUWYGAR-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP CCCCOC(=O)[C@@H]1CC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC001169264175 811454184 /nfs/dbraw/zinc/45/41/84/811454184.db2.gz ISSNGVXKUWYGAR-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP CCN1CCC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240440 811458974 /nfs/dbraw/zinc/45/89/74/811458974.db2.gz ILHUMZLDWCBIGY-WKILWMFISA-N 2 1 279.472 2.453 20 0 CEADMP CC[NH+]1CCC([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240440 811458983 /nfs/dbraw/zinc/45/89/83/811458983.db2.gz ILHUMZLDWCBIGY-WKILWMFISA-N 3 1 279.472 2.453 20 0 CEADMP CC[NH+]1CCC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169240440 811458989 /nfs/dbraw/zinc/45/89/89/811458989.db2.gz ILHUMZLDWCBIGY-WKILWMFISA-N 3 1 279.472 2.453 20 0 CEADMP CCN1CCC([N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)CC1 ZINC001169245694 811460793 /nfs/dbraw/zinc/46/07/93/811460793.db2.gz HHKRNDPJLRNVEW-ZDUSSCGKSA-N 2 1 294.361 2.250 20 0 CEADMP CCN1CCC([N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)CC1 ZINC001169245694 811460796 /nfs/dbraw/zinc/46/07/96/811460796.db2.gz HHKRNDPJLRNVEW-ZDUSSCGKSA-N 2 1 294.361 2.250 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)CC1 ZINC001169254189 811465564 /nfs/dbraw/zinc/46/55/64/811465564.db2.gz SCWNIGOXGSLZPM-GOSISDBHSA-N 2 1 299.418 2.067 20 0 CEADMP CC[NH+]1CCC([N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)CC1 ZINC001169254189 811465566 /nfs/dbraw/zinc/46/55/66/811465566.db2.gz SCWNIGOXGSLZPM-GOSISDBHSA-N 2 1 299.418 2.067 20 0 CEADMP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCC(C)C)C1 ZINC001044337111 811472364 /nfs/dbraw/zinc/47/23/64/811472364.db2.gz HNMVJUOOQUPFTK-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCC(C)C)C1 ZINC001044337111 811472368 /nfs/dbraw/zinc/47/23/68/811472368.db2.gz HNMVJUOOQUPFTK-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[N@@H+](C)C1CCN(CC)CC1 ZINC001169477751 811524466 /nfs/dbraw/zinc/52/44/66/811524466.db2.gz GFDCGZWYKAYNCK-CQSZACIVSA-N 2 1 283.460 2.050 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[N@H+](C)C1CC[NH+](CC)CC1 ZINC001169477751 811524473 /nfs/dbraw/zinc/52/44/73/811524473.db2.gz GFDCGZWYKAYNCK-CQSZACIVSA-N 2 1 283.460 2.050 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001169477751 811524478 /nfs/dbraw/zinc/52/44/78/811524478.db2.gz GFDCGZWYKAYNCK-CQSZACIVSA-N 2 1 283.460 2.050 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(OC)c1C ZINC001206165896 815459929 /nfs/dbraw/zinc/45/99/29/815459929.db2.gz PREXUGJTESUUCX-UONOGXRCSA-N 2 1 296.386 2.273 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(OC)c1C ZINC001206165896 815459931 /nfs/dbraw/zinc/45/99/31/815459931.db2.gz PREXUGJTESUUCX-UONOGXRCSA-N 2 1 296.386 2.273 20 0 CEADMP CC(C)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001045535959 811622865 /nfs/dbraw/zinc/62/28/65/811622865.db2.gz HESNQGRRXHUUPC-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172593642 815466464 /nfs/dbraw/zinc/46/64/64/815466464.db2.gz YMAJAORWLHYXAA-HUUCEWRRSA-N 2 1 284.444 2.430 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(N)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001206022848 811687161 /nfs/dbraw/zinc/68/71/61/811687161.db2.gz DCEBWGZMVJYLIW-WCQYABFASA-N 2 1 265.376 2.215 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC3(C2)OCCO3)[C@H](C)C1 ZINC001169934729 811715927 /nfs/dbraw/zinc/71/59/27/811715927.db2.gz FIKCCKXQWFRRHY-BZUAXINKSA-N 2 1 296.455 2.381 20 0 CEADMP c1[nH+]cn([C@@H]2CCCC3(C2)OCCO3)c1C1CC[NH2+]CC1 ZINC001169958157 811726501 /nfs/dbraw/zinc/72/65/01/811726501.db2.gz FNVNJOUDBBIJGD-CQSZACIVSA-N 2 1 291.395 2.208 20 0 CEADMP CC(C)[N@@H+](C1CCN(C)CC1)[C@H]1CCCC2(C1)OCCO2 ZINC001169962339 811726512 /nfs/dbraw/zinc/72/65/12/811726512.db2.gz PZTSDPJHWLBNIS-INIZCTEOSA-N 2 1 296.455 2.477 20 0 CEADMP C[NH+]1CCC([NH2+]C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001169966874 811728215 /nfs/dbraw/zinc/72/82/15/811728215.db2.gz CWPGMCQARKODFT-UHFFFAOYSA-N 2 1 269.433 2.081 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C)CCC[NH+]2CCCC2)C1 ZINC001172616527 815475175 /nfs/dbraw/zinc/47/51/75/815475175.db2.gz MSANLVMEPPSQML-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)[C@H]1CCC[C@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC001172635363 815480420 /nfs/dbraw/zinc/48/04/20/815480420.db2.gz XDIMIBOKIZQWFP-GJZGRUSLSA-N 2 1 294.439 2.136 20 0 CEADMP C[C@]1(C[NH3+])CCCCN(Cc2[nH+]cn3ccccc23)C1 ZINC001206563313 811888813 /nfs/dbraw/zinc/88/88/13/811888813.db2.gz BVAYZAODWHGXMR-MRXNPFEDSA-N 2 1 272.396 2.285 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001109868139 811963923 /nfs/dbraw/zinc/96/39/23/811963923.db2.gz CRPJMBPEXQVGNJ-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001048610294 811994364 /nfs/dbraw/zinc/99/43/64/811994364.db2.gz FQNHHGLCYNQAJX-JYJNAYRXSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)CCC[C@@H](C)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001170063515 812023614 /nfs/dbraw/zinc/02/36/14/812023614.db2.gz DGJIFJFZTCZQSC-GDBMZVCRSA-N 2 1 267.461 2.214 20 0 CEADMP CC(C)CCC[C@@H](C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001170067818 812039961 /nfs/dbraw/zinc/03/99/61/812039961.db2.gz DIALFKQELZRFGI-CHWSQXEVSA-N 2 1 253.390 2.133 20 0 CEADMP Clc1ccncc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001243045043 812088728 /nfs/dbraw/zinc/08/87/28/812088728.db2.gz ZIANDINLFXXQHD-UHFFFAOYSA-N 2 1 274.755 2.207 20 0 CEADMP C[C@H]1CC[C@H]([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)C1 ZINC001170134302 812210641 /nfs/dbraw/zinc/21/06/41/812210641.db2.gz AFUFSPXWPHDWPR-STQMWFEESA-N 2 1 265.401 2.305 20 0 CEADMP C[NH+]1CC(CNc2ccc([C@@H]3CCCC[N@H+]3C)cn2)C1 ZINC001170254207 812373279 /nfs/dbraw/zinc/37/32/79/812373279.db2.gz XIWPRKVRHPJSTB-HNNXBMFYSA-N 2 1 274.412 2.212 20 0 CEADMP C[N@H+]1CCC[C@@H](NC(=[NH2+])c2ccc(F)c(F)c2)CC1 ZINC001254500173 812412666 /nfs/dbraw/zinc/41/26/66/812412666.db2.gz GTYZRXZWJLCHER-LLVKDONJSA-N 2 1 267.323 2.364 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052715402 812450788 /nfs/dbraw/zinc/45/07/88/812450788.db2.gz CJFUQFWSDQKTHP-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001052715402 812450791 /nfs/dbraw/zinc/45/07/91/812450791.db2.gz CJFUQFWSDQKTHP-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001052715402 812450794 /nfs/dbraw/zinc/45/07/94/812450794.db2.gz CJFUQFWSDQKTHP-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129839553 812515502 /nfs/dbraw/zinc/51/55/02/812515502.db2.gz BJDJJSSDBPGAFC-JKSUJKDBSA-N 2 1 297.487 2.249 20 0 CEADMP CC(C)(C)CC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130190429 812542934 /nfs/dbraw/zinc/54/29/34/812542934.db2.gz ZGEYTEAVIWOAAC-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001172948204 815558918 /nfs/dbraw/zinc/55/89/18/815558918.db2.gz BVWWOSJLFAGOBZ-CABCVRRESA-N 2 1 252.402 2.114 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132377438 812837723 /nfs/dbraw/zinc/83/77/23/812837723.db2.gz XNKMLPNPQNWVND-CVEARBPZSA-N 2 1 295.471 2.264 20 0 CEADMP CCCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409945 812843344 /nfs/dbraw/zinc/84/33/44/812843344.db2.gz HGSYDQGUAIXRIY-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132409945 812843351 /nfs/dbraw/zinc/84/33/51/812843351.db2.gz HGSYDQGUAIXRIY-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132409945 812843365 /nfs/dbraw/zinc/84/33/65/812843365.db2.gz HGSYDQGUAIXRIY-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC=C(C)C)C1 ZINC001132411454 812845270 /nfs/dbraw/zinc/84/52/70/812845270.db2.gz ZTOKOJWSCXTNQF-HZPDHXFCSA-N 2 1 295.471 2.264 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC=C(C)C)C1 ZINC001132411454 812845278 /nfs/dbraw/zinc/84/52/78/812845278.db2.gz ZTOKOJWSCXTNQF-HZPDHXFCSA-N 2 1 295.471 2.264 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132411454 812845287 /nfs/dbraw/zinc/84/52/87/812845287.db2.gz ZTOKOJWSCXTNQF-HZPDHXFCSA-N 2 1 295.471 2.264 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132435373 812850144 /nfs/dbraw/zinc/85/01/44/812850144.db2.gz CFVPGHWHMFFMGN-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132435373 812850152 /nfs/dbraw/zinc/85/01/52/812850152.db2.gz CFVPGHWHMFFMGN-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132435373 812850159 /nfs/dbraw/zinc/85/01/59/812850159.db2.gz CFVPGHWHMFFMGN-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CCC2CC2)C1 ZINC001132441901 812856634 /nfs/dbraw/zinc/85/66/34/812856634.db2.gz VBJSJFAGVMTSIF-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132441901 812856641 /nfs/dbraw/zinc/85/66/41/812856641.db2.gz VBJSJFAGVMTSIF-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2CC2)C1 ZINC001132441901 812856648 /nfs/dbraw/zinc/85/66/48/812856648.db2.gz VBJSJFAGVMTSIF-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CO[C@@H]1CCC[C@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC001172946848 815557547 /nfs/dbraw/zinc/55/75/47/815557547.db2.gz VUMZHXKXZJGUJR-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170660242 812999922 /nfs/dbraw/zinc/99/99/22/812999922.db2.gz VNESMKJFUZPWPX-FZMZJTMJSA-N 2 1 280.362 2.363 20 0 CEADMP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001086701409 813000859 /nfs/dbraw/zinc/00/08/59/813000859.db2.gz UHGADRZGNZHGDM-XUWVNRHRSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]CC1 ZINC001206581469 813022938 /nfs/dbraw/zinc/02/29/38/813022938.db2.gz JENPHMZJYNXQOJ-HZPDHXFCSA-N 3 1 267.461 2.229 20 0 CEADMP CC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000384810064 813075639 /nfs/dbraw/zinc/07/56/39/813075639.db2.gz PVKIZHFDNMBVIT-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP CC[C@@H]1CCCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000384810064 813075648 /nfs/dbraw/zinc/07/56/48/813075648.db2.gz PVKIZHFDNMBVIT-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP CC[NH+](CC)C1CCC([NH2+][C@H](C(=O)OC)C(C)C)CC1 ZINC001173101293 815579219 /nfs/dbraw/zinc/57/92/19/815579219.db2.gz FSFXWOOLHRHELK-NRXISQOPSA-N 2 1 284.444 2.427 20 0 CEADMP C[N@@H+](CC(=O)NCC[NH2+]CC1CCCCC1)CC(C)(C)C ZINC001133907834 813174610 /nfs/dbraw/zinc/17/46/10/813174610.db2.gz AAJOBDDOLDZEMM-UHFFFAOYSA-N 2 1 297.487 2.250 20 0 CEADMP O[C@@H](CN1CCCC1)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000388582299 813239509 /nfs/dbraw/zinc/23/95/09/813239509.db2.gz JSVVUUALWKUAPG-JKSUJKDBSA-N 2 1 266.429 2.098 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000388582299 813239512 /nfs/dbraw/zinc/23/95/12/813239512.db2.gz JSVVUUALWKUAPG-JKSUJKDBSA-N 2 1 266.429 2.098 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000388582299 813239518 /nfs/dbraw/zinc/23/95/18/813239518.db2.gz JSVVUUALWKUAPG-JKSUJKDBSA-N 2 1 266.429 2.098 20 0 CEADMP CCOc1cccc(C[N@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)c1 ZINC001138103908 813260881 /nfs/dbraw/zinc/26/08/81/813260881.db2.gz JUHIHQSXHSHWBT-IYBDPMFKSA-N 2 1 274.408 2.469 20 0 CEADMP CCOc1cccc(C[N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)c1 ZINC001138103908 813260884 /nfs/dbraw/zinc/26/08/84/813260884.db2.gz JUHIHQSXHSHWBT-IYBDPMFKSA-N 2 1 274.408 2.469 20 0 CEADMP CCOc1cccc(C[NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)c1 ZINC001138103908 813260887 /nfs/dbraw/zinc/26/08/87/813260887.db2.gz JUHIHQSXHSHWBT-IYBDPMFKSA-N 2 1 274.408 2.469 20 0 CEADMP CCOc1cccc(C[NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)c1 ZINC001138103908 813260891 /nfs/dbraw/zinc/26/08/91/813260891.db2.gz JUHIHQSXHSHWBT-IYBDPMFKSA-N 2 1 274.408 2.469 20 0 CEADMP C[N@H+]1CCC[C@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC001255472857 813262410 /nfs/dbraw/zinc/26/24/10/813262410.db2.gz JFRUTUGJTKKMQO-HNNXBMFYSA-N 2 1 265.445 2.077 20 0 CEADMP CN1CCC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC001255472857 813262416 /nfs/dbraw/zinc/26/24/16/813262416.db2.gz JFRUTUGJTKKMQO-HNNXBMFYSA-N 2 1 265.445 2.077 20 0 CEADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170751562 813272347 /nfs/dbraw/zinc/27/23/47/813272347.db2.gz RARXMGFWSZVWPG-ZOFXXKQRSA-N 2 1 291.483 2.131 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134570237 813290241 /nfs/dbraw/zinc/29/02/41/813290241.db2.gz LTXKVQGUQQLFSK-UHFFFAOYSA-N 2 1 294.443 2.149 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC1CC(C)C1 ZINC001134767026 813322492 /nfs/dbraw/zinc/32/24/92/813322492.db2.gz PYHPMTIMBARPMR-GPANFISMSA-N 2 1 295.471 2.001 20 0 CEADMP CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135679296 813499338 /nfs/dbraw/zinc/49/93/38/813499338.db2.gz MADWSIKODZWGDR-KBPBESRZSA-N 2 1 294.443 2.255 20 0 CEADMP CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071953862 813519521 /nfs/dbraw/zinc/51/95/21/813519521.db2.gz GPKDXWQFDYQPRO-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC1 ZINC001135861448 813550139 /nfs/dbraw/zinc/55/01/39/813550139.db2.gz RCJPTHBDOXDQHG-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170869779 813567531 /nfs/dbraw/zinc/56/75/31/813567531.db2.gz AQBMDPKYTFCNAD-HRCADAONSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000396689750 813580167 /nfs/dbraw/zinc/58/01/67/813580167.db2.gz BQILEKXQMXKXOE-UONOGXRCSA-N 2 1 272.396 2.157 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001246100081 813690430 /nfs/dbraw/zinc/69/04/30/813690430.db2.gz NPHCWAVVKZPJHC-UONOGXRCSA-N 3 1 267.461 2.085 20 0 CEADMP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001246100074 813690643 /nfs/dbraw/zinc/69/06/43/813690643.db2.gz NPHCWAVVKZPJHC-KBPBESRZSA-N 3 1 267.461 2.085 20 0 CEADMP CC(C)(C)C(=O)N1CCC(CC[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246254388 813753273 /nfs/dbraw/zinc/75/32/73/813753273.db2.gz HJIBTTLMTLFTLF-HNNXBMFYSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@@H+](CCO)CCC[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171033623 813761524 /nfs/dbraw/zinc/76/15/24/813761524.db2.gz OSQHHFVQUQBTIO-AWEZNQCLSA-N 2 1 296.842 2.101 20 0 CEADMP CCCCCC[C@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246496980 813866703 /nfs/dbraw/zinc/86/67/03/813866703.db2.gz NOPCMDIPJDVNRC-GJZGRUSLSA-N 2 1 255.450 2.277 20 0 CEADMP C[NH2+]CC[C@H](C)[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC001246528435 813905416 /nfs/dbraw/zinc/90/54/16/813905416.db2.gz HMBUYULFKSAJMO-HNNXBMFYSA-N 2 1 261.413 2.115 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](C2CCC3(CCOCC3)CC2)CC[C@@H]1F ZINC001246568376 814070675 /nfs/dbraw/zinc/07/06/75/814070675.db2.gz LNOABIRJQZHOBC-LSDHHAIUSA-N 2 1 284.419 2.487 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](C2CCC3(CCOCC3)CC2)CC[C@@H]1F ZINC001246568376 814070683 /nfs/dbraw/zinc/07/06/83/814070683.db2.gz LNOABIRJQZHOBC-LSDHHAIUSA-N 2 1 284.419 2.487 20 0 CEADMP CCOC(=O)C[C@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256075562 814105857 /nfs/dbraw/zinc/10/58/57/814105857.db2.gz NMILUDBWYFEGAI-CQSZACIVSA-N 2 1 294.439 2.278 20 0 CEADMP CCOC(=O)C[C@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256075562 814105860 /nfs/dbraw/zinc/10/58/60/814105860.db2.gz NMILUDBWYFEGAI-CQSZACIVSA-N 2 1 294.439 2.278 20 0 CEADMP CCCC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001100459912 814131344 /nfs/dbraw/zinc/13/13/44/814131344.db2.gz FBUSNRZMGZSYPV-UHFFFAOYSA-N 2 1 283.460 2.001 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246583792 814166601 /nfs/dbraw/zinc/16/66/01/814166601.db2.gz RZOOMWHECXIEMM-UONOGXRCSA-N 2 1 270.417 2.169 20 0 CEADMP CCCCC[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001100678685 814170473 /nfs/dbraw/zinc/17/04/73/814170473.db2.gz TVCWDQYVXKWZJI-FHERZECASA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246589403 814179205 /nfs/dbraw/zinc/17/92/05/814179205.db2.gz DGWQTOZHBAPGJN-KBXIAJHMSA-N 3 1 267.461 2.212 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246589403 814179208 /nfs/dbraw/zinc/17/92/08/814179208.db2.gz DGWQTOZHBAPGJN-KBXIAJHMSA-N 3 1 267.461 2.212 20 0 CEADMP CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001101036536 814215512 /nfs/dbraw/zinc/21/55/12/814215512.db2.gz SNFAJOHNMLQPSU-GPANFISMSA-N 2 1 295.471 2.145 20 0 CEADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101035915 814216055 /nfs/dbraw/zinc/21/60/55/814216055.db2.gz DVIASUWEEDHPIZ-SREVYHEPSA-N 2 1 295.471 2.167 20 0 CEADMP CC[C@@H](C)C[C@@H](CC)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246628410 814226342 /nfs/dbraw/zinc/22/63/42/814226342.db2.gz ZEDYOVCNQTZEAO-KBUPBQIOSA-N 2 1 254.418 2.121 20 0 CEADMP C1C[C@@]2(CC[N@@H+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)C[NH2+]1 ZINC001246630727 814230639 /nfs/dbraw/zinc/23/06/39/814230639.db2.gz KZTWLGDBZLCXCP-HZPDHXFCSA-N 3 1 277.456 2.127 20 0 CEADMP C1C[C@@]2(CC[N@H+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)C[NH2+]1 ZINC001246630727 814230641 /nfs/dbraw/zinc/23/06/41/814230641.db2.gz KZTWLGDBZLCXCP-HZPDHXFCSA-N 3 1 277.456 2.127 20 0 CEADMP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146603003 814299764 /nfs/dbraw/zinc/29/97/64/814299764.db2.gz VGTLOMUGGUCDPU-HUUCEWRRSA-N 2 1 285.476 2.246 20 0 CEADMP CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706487 814310622 /nfs/dbraw/zinc/31/06/22/814310622.db2.gz FQIWBYGISVPCHT-HUUCEWRRSA-N 2 1 291.439 2.011 20 0 CEADMP CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706487 814310627 /nfs/dbraw/zinc/31/06/27/814310627.db2.gz FQIWBYGISVPCHT-HUUCEWRRSA-N 2 1 291.439 2.011 20 0 CEADMP CN(C[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246889416 814342069 /nfs/dbraw/zinc/34/20/69/814342069.db2.gz PVZWGDVRMCEKAA-HOCLYGCPSA-N 2 1 265.445 2.077 20 0 CEADMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](C(C)C)C[C@H]1C)[NH+](C)C ZINC001103408707 814498977 /nfs/dbraw/zinc/49/89/77/814498977.db2.gz PPFTUFVLJCIRBH-BZUAXINKSA-N 2 1 297.487 2.055 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])sn1 ZINC000693483510 814622658 /nfs/dbraw/zinc/62/26/58/814622658.db2.gz AUDOWBOKTRBTLC-DGCLKSJQSA-N 2 1 283.441 2.491 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](CO)[C@H]2C)CC1 ZINC001173108288 815582534 /nfs/dbraw/zinc/58/25/34/815582534.db2.gz AOGXDAMEUCGTNR-QVOMUQBLSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC001173109304 815582585 /nfs/dbraw/zinc/58/25/85/815582585.db2.gz GLFXJXANXRQAAE-WLYUNCDWSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCc3c(cnn3C)C2)CC1 ZINC001173113103 815584198 /nfs/dbraw/zinc/58/41/98/815584198.db2.gz IWHJYKASYMDDPD-UHFFFAOYSA-N 2 1 290.455 2.431 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713242512 814847869 /nfs/dbraw/zinc/84/78/69/814847869.db2.gz LHOHAWRQTVEMFS-OAHLLOKOSA-N 2 1 266.429 2.146 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCOC(F)(F)F)[C@H]1CC[NH3+] ZINC000713418875 814852254 /nfs/dbraw/zinc/85/22/54/814852254.db2.gz BYMMDMFAMYONJJ-QWRGUYRKSA-N 2 1 268.323 2.362 20 0 CEADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](CC(C)(C)C)CC2)C1 ZINC001173352046 815687389 /nfs/dbraw/zinc/68/73/89/815687389.db2.gz DRTMJPQPTUBMMI-OAHLLOKOSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CSCC)C[C@@H]2C1 ZINC001173315821 815690119 /nfs/dbraw/zinc/69/01/19/815690119.db2.gz SSQFPYWMWBUELL-MCIONIFRSA-N 2 1 256.459 2.402 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CSCC)C[C@@H]2C1 ZINC001173315821 815690125 /nfs/dbraw/zinc/69/01/25/815690125.db2.gz SSQFPYWMWBUELL-MCIONIFRSA-N 2 1 256.459 2.402 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CSCC)C[C@@H]2C1 ZINC001173315821 815690130 /nfs/dbraw/zinc/69/01/30/815690130.db2.gz SSQFPYWMWBUELL-MCIONIFRSA-N 2 1 256.459 2.402 20 0 CEADMP CC[N@H+]1CC[C@@H](n2c3ccccc3c3c2C[C@@H]([NH3+])C3)C1 ZINC001173354682 815696070 /nfs/dbraw/zinc/69/60/70/815696070.db2.gz IXKPAHRCYOSUBK-QWHCGFSZSA-N 2 1 269.392 2.334 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CCC([NH3+])(c3ccccc3F)CC2)C1 ZINC001173355285 815696382 /nfs/dbraw/zinc/69/63/82/815696382.db2.gz ZOHFWLRUIYWMCO-CQSZACIVSA-N 2 1 291.414 2.170 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173479741 815726134 /nfs/dbraw/zinc/72/61/34/815726134.db2.gz MGFDGEIRKWMUQH-QFYYESIMSA-N 2 1 280.362 2.362 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173479741 815726140 /nfs/dbraw/zinc/72/61/40/815726140.db2.gz MGFDGEIRKWMUQH-QFYYESIMSA-N 2 1 280.362 2.362 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001173619986 815764609 /nfs/dbraw/zinc/76/46/09/815764609.db2.gz DKIMFVXGGCXDFQ-KFWWJZLASA-N 2 1 282.428 2.040 20 0 CEADMP COc1ccc(F)cc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001138370101 815779409 /nfs/dbraw/zinc/77/94/09/815779409.db2.gz BYJPDPOWEJWBOD-OCCSQVGLSA-N 2 1 278.371 2.218 20 0 CEADMP COc1ccc(F)cc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001138370101 815779412 /nfs/dbraw/zinc/77/94/12/815779412.db2.gz BYJPDPOWEJWBOD-OCCSQVGLSA-N 2 1 278.371 2.218 20 0 CEADMP COc1ccc(F)cc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001138370101 815779414 /nfs/dbraw/zinc/77/94/14/815779414.db2.gz BYJPDPOWEJWBOD-OCCSQVGLSA-N 2 1 278.371 2.218 20 0 CEADMP COc1ccc(F)cc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001138370101 815779416 /nfs/dbraw/zinc/77/94/16/815779416.db2.gz BYJPDPOWEJWBOD-OCCSQVGLSA-N 2 1 278.371 2.218 20 0 CEADMP Cn1c2ccccc2nc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001138380718 815782254 /nfs/dbraw/zinc/78/22/54/815782254.db2.gz VSFRDZSPIRNRQI-UHFFFAOYSA-N 2 1 284.407 2.101 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC001173650517 815791669 /nfs/dbraw/zinc/79/16/69/815791669.db2.gz LSVJEFSCOWGXMY-APIJFGDWSA-N 2 1 282.428 2.038 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC001173650517 815791671 /nfs/dbraw/zinc/79/16/71/815791671.db2.gz LSVJEFSCOWGXMY-APIJFGDWSA-N 2 1 282.428 2.038 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC001173650524 815791699 /nfs/dbraw/zinc/79/16/99/815791699.db2.gz LSVJEFSCOWGXMY-LJISPDSOSA-N 2 1 282.428 2.038 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC001173650524 815791702 /nfs/dbraw/zinc/79/17/02/815791702.db2.gz LSVJEFSCOWGXMY-LJISPDSOSA-N 2 1 282.428 2.038 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](CC)CCC[NH+](C)C)C1 ZINC001173650626 815792673 /nfs/dbraw/zinc/79/26/73/815792673.db2.gz BEWAZSZLSXYKFZ-LSDHHAIUSA-N 2 1 284.444 2.382 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CC3(CC(O)C3)C2)cc1 ZINC001138542703 815821500 /nfs/dbraw/zinc/82/15/00/815821500.db2.gz FPMIFYVEQGGXSH-UHFFFAOYSA-N 2 1 283.375 2.137 20 0 CEADMP Cc1nccn1-c1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)cc1 ZINC001138542720 815822395 /nfs/dbraw/zinc/82/23/95/815822395.db2.gz GVNNLGIXLPKOGI-HOCLYGCPSA-N 2 1 289.354 2.085 20 0 CEADMP CCO[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001138772136 815891668 /nfs/dbraw/zinc/89/16/68/815891668.db2.gz QMYFLUDDFMMGQD-QGZVFWFLSA-N 2 1 292.423 2.238 20 0 CEADMP Cn1ccc2c1cccc2C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001139162668 815974426 /nfs/dbraw/zinc/97/44/26/815974426.db2.gz XINOROPBOYUZBP-GASCZTMLSA-N 2 1 269.392 2.172 20 0 CEADMP Cn1ccc2c1cccc2C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001139162668 815974430 /nfs/dbraw/zinc/97/44/30/815974430.db2.gz XINOROPBOYUZBP-GASCZTMLSA-N 2 1 269.392 2.172 20 0 CEADMP Cn1ccc2c1cccc2C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001139162668 815974434 /nfs/dbraw/zinc/97/44/34/815974434.db2.gz XINOROPBOYUZBP-GASCZTMLSA-N 2 1 269.392 2.172 20 0 CEADMP O[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@@H]1F ZINC001139356478 816011639 /nfs/dbraw/zinc/01/16/39/816011639.db2.gz MLJYMRZFBKDFJF-JKSUJKDBSA-N 2 1 289.354 2.167 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC000691576242 816127124 /nfs/dbraw/zinc/12/71/24/816127124.db2.gz GSEPDCCNMLYILF-CQSZACIVSA-N 2 1 282.428 2.134 20 0 CEADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175255155 816163540 /nfs/dbraw/zinc/16/35/40/816163540.db2.gz DCOJPPZXQOFWAC-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccnn3-c3ccccc3)C[C@@H]2C1 ZINC001140525728 816276418 /nfs/dbraw/zinc/27/64/18/816276418.db2.gz QIFCAPSWFPAYKD-CVEARBPZSA-N 2 1 296.418 2.256 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccnn3-c3ccccc3)C[C@@H]2C1 ZINC001140525728 816276423 /nfs/dbraw/zinc/27/64/23/816276423.db2.gz QIFCAPSWFPAYKD-CVEARBPZSA-N 2 1 296.418 2.256 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccnn3-c3ccccc3)C[C@@H]2C1 ZINC001140525728 816276427 /nfs/dbraw/zinc/27/64/27/816276427.db2.gz QIFCAPSWFPAYKD-CVEARBPZSA-N 2 1 296.418 2.256 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccnn3-c3ccccc3)C[C@@H]2C1 ZINC001140525728 816276435 /nfs/dbraw/zinc/27/64/35/816276435.db2.gz QIFCAPSWFPAYKD-CVEARBPZSA-N 2 1 296.418 2.256 20 0 CEADMP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)c(O)c(C)c3)C[C@@H]2C1 ZINC001140662433 816316680 /nfs/dbraw/zinc/31/66/80/816316680.db2.gz UFOGPUJEBCFBKT-HOTGVXAUSA-N 2 1 274.408 2.393 20 0 CEADMP CC[N@@H+]1C[C@H]2CN(Cc3ccc(OC)cc3C)C[C@H]2C1 ZINC001140680800 816319519 /nfs/dbraw/zinc/31/95/19/816319519.db2.gz WVJPTBXSRKFNKH-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)cc3C)C[C@@H]2C1 ZINC001140680800 816319528 /nfs/dbraw/zinc/31/95/28/816319528.db2.gz WVJPTBXSRKFNKH-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)cc3C)C[C@@H]2C1 ZINC001140680800 816319535 /nfs/dbraw/zinc/31/95/35/816319535.db2.gz WVJPTBXSRKFNKH-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC)cc3C)C[C@@H]2C1 ZINC001140680800 816319542 /nfs/dbraw/zinc/31/95/42/816319542.db2.gz WVJPTBXSRKFNKH-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC)cc3C)C[C@@H]2C1 ZINC001140680800 816319547 /nfs/dbraw/zinc/31/95/47/816319547.db2.gz WVJPTBXSRKFNKH-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176033541 816331363 /nfs/dbraw/zinc/33/13/63/816331363.db2.gz RMZOMXLJBAGVTH-CQSZACIVSA-N 2 1 271.449 2.003 20 0 CEADMP C1=C(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)CCC1 ZINC001176106151 816349964 /nfs/dbraw/zinc/34/99/64/816349964.db2.gz YKZUMNFJQRYBBP-UHFFFAOYSA-N 2 1 264.413 2.330 20 0 CEADMP CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801153 816359572 /nfs/dbraw/zinc/35/95/72/816359572.db2.gz HYCPZBJGRYJXDJ-QGZVFWFLSA-N 2 1 298.390 2.150 20 0 CEADMP CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801153 816359578 /nfs/dbraw/zinc/35/95/78/816359578.db2.gz HYCPZBJGRYJXDJ-QGZVFWFLSA-N 2 1 298.390 2.150 20 0 CEADMP CN1C(=O)CCC12CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140806920 816369503 /nfs/dbraw/zinc/36/95/03/816369503.db2.gz XLXWJNKAYIEOFN-UHFFFAOYSA-N 2 1 298.390 2.150 20 0 CEADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(C)cc1 ZINC001204171513 816370176 /nfs/dbraw/zinc/37/01/76/816370176.db2.gz JVOHXGDENJWPTM-UHFFFAOYSA-N 2 1 292.423 2.312 20 0 CEADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)cc1 ZINC001204171513 816370182 /nfs/dbraw/zinc/37/01/82/816370182.db2.gz JVOHXGDENJWPTM-UHFFFAOYSA-N 2 1 292.423 2.312 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC1 ZINC001176283900 816377297 /nfs/dbraw/zinc/37/72/97/816377297.db2.gz ANNJDXXETALMNJ-AWEZNQCLSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnc3ccccn23)CC1 ZINC001206292489 816516514 /nfs/dbraw/zinc/51/65/14/816516514.db2.gz BYOCNECXIZUUHO-MRXNPFEDSA-N 2 1 272.396 2.285 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ncc3ccccn32)CC1 ZINC001206304692 816568707 /nfs/dbraw/zinc/56/87/07/816568707.db2.gz OBNTUAOAXKTBTH-MRXNPFEDSA-N 2 1 272.396 2.285 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccn1 ZINC001206305196 816578202 /nfs/dbraw/zinc/57/82/02/816578202.db2.gz VUSLXLCPGIXJGX-OAHLLOKOSA-N 2 1 263.385 2.041 20 0 CEADMP Cc1cnc(F)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206325247 816721834 /nfs/dbraw/zinc/72/18/34/816721834.db2.gz GPYONDYMYMBJLC-HNNXBMFYSA-N 2 1 265.376 2.480 20 0 CEADMP CC(C)[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580297 816885455 /nfs/dbraw/zinc/88/54/55/816885455.db2.gz CZKRFJLJIAAVAJ-OAHLLOKOSA-N 2 1 283.460 2.145 20 0 CEADMP CC[C@@H](C)[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124337332 187133064 /nfs/dbraw/zinc/13/30/64/187133064.db2.gz VKOXWYJKAJQTRQ-CABCVRRESA-N 2 1 269.477 2.284 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449089634 282095527 /nfs/dbraw/zinc/09/55/27/282095527.db2.gz DMEUGNDNLTWUMH-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000621157311 349516264 /nfs/dbraw/zinc/51/62/64/349516264.db2.gz SXHFYSSPEJHRJO-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H]2CC2(C)C)CC1 ZINC000337463545 214097899 /nfs/dbraw/zinc/09/78/99/214097899.db2.gz LLFLGVWIHOWOPR-HNNXBMFYSA-N 2 1 267.461 2.133 20 0 CEADMP COCC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000449093474 282097916 /nfs/dbraw/zinc/09/79/16/282097916.db2.gz XMDQVENBGMTRRJ-QDIHITRGSA-N 2 1 266.429 2.408 20 0 CEADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc2c(c1)C[NH2+]C2 ZINC000336330219 365557283 /nfs/dbraw/zinc/55/72/83/365557283.db2.gz LPYGEWXBISBUTK-INIZCTEOSA-N 2 1 299.418 2.037 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)C1CCC1 ZINC000449107151 282102643 /nfs/dbraw/zinc/10/26/43/282102643.db2.gz ORHRPASGJFPGPM-HNNXBMFYSA-N 2 1 254.418 2.266 20 0 CEADMP COC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1ccccc1 ZINC000567639496 299069942 /nfs/dbraw/zinc/06/99/42/299069942.db2.gz UUHBEVVVOGXUEB-OAHLLOKOSA-N 2 1 250.386 2.352 20 0 CEADMP CC(C)COCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127778287 187332496 /nfs/dbraw/zinc/33/24/96/187332496.db2.gz HJZVCZWQNWJMEN-LSDHHAIUSA-N 2 1 254.418 2.266 20 0 CEADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)COCC1CC1 ZINC000127785976 187332764 /nfs/dbraw/zinc/33/27/64/187332764.db2.gz FROBHRUQZPTBIO-CABCVRRESA-N 2 1 252.402 2.020 20 0 CEADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000567654298 299071151 /nfs/dbraw/zinc/07/11/51/299071151.db2.gz VHFTXSFRCZOVJF-CABCVRRESA-N 2 1 260.381 2.400 20 0 CEADMP CCn1nnc(C)c1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000449144925 282117982 /nfs/dbraw/zinc/11/79/82/282117982.db2.gz VKAQZSILZAXFNU-AWEZNQCLSA-N 2 1 281.448 2.062 20 0 CEADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449148955 282120022 /nfs/dbraw/zinc/12/00/22/282120022.db2.gz LTXLBRBWZBCHCB-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCN(c2ccc(F)cc2)CC1 ZINC000124644065 365657572 /nfs/dbraw/zinc/65/75/72/365657572.db2.gz KKXJSFJWZWHQGP-INIZCTEOSA-N 2 1 291.414 2.432 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000621331629 349563415 /nfs/dbraw/zinc/56/34/15/349563415.db2.gz IEPFIGQENBRTNG-CQSZACIVSA-N 2 1 277.412 2.300 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000621331629 349563417 /nfs/dbraw/zinc/56/34/17/349563417.db2.gz IEPFIGQENBRTNG-CQSZACIVSA-N 2 1 277.412 2.300 20 0 CEADMP CCCc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)s1 ZINC000621343023 349567791 /nfs/dbraw/zinc/56/77/91/349567791.db2.gz RVKDGPXZSWHSRL-AWEZNQCLSA-N 2 1 270.442 2.103 20 0 CEADMP CCOc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000621359593 349576258 /nfs/dbraw/zinc/57/62/58/349576258.db2.gz OQCKCOFKTAFTMK-GOOCMWNKSA-N 2 1 275.396 2.195 20 0 CEADMP CCOc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000621359593 349576260 /nfs/dbraw/zinc/57/62/60/349576260.db2.gz OQCKCOFKTAFTMK-GOOCMWNKSA-N 2 1 275.396 2.195 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@@H]1CO ZINC000621369232 349581992 /nfs/dbraw/zinc/58/19/92/349581992.db2.gz KDEXFOHCTYBCES-GOEBONIOSA-N 2 1 285.391 2.323 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337763410 214251013 /nfs/dbraw/zinc/25/10/13/214251013.db2.gz QPWHAWRLPUTGLT-UKRRQHHQSA-N 2 1 254.418 2.110 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037141085 361899486 /nfs/dbraw/zinc/89/94/86/361899486.db2.gz HETUHVDKZYUTJJ-OAHLLOKOSA-N 2 1 274.412 2.014 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOCC[NH3+])CC[C@H]1c1ccccc1 ZINC000357089883 529394166 /nfs/dbraw/zinc/39/41/66/529394166.db2.gz ZRAMORJDOUAGSD-NVXWUHKLSA-N 2 1 276.424 2.477 20 0 CEADMP CCOCc1ccccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000037762180 361930089 /nfs/dbraw/zinc/93/00/89/361930089.db2.gz NDXHSOSDJYAOPX-UHFFFAOYSA-N 2 1 262.397 2.407 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000037825993 361951448 /nfs/dbraw/zinc/95/14/48/361951448.db2.gz UCOFBKBJNODJIX-INIZCTEOSA-N 2 1 297.487 2.474 20 0 CEADMP CCOC[C@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000338012912 214361038 /nfs/dbraw/zinc/36/10/38/214361038.db2.gz PFZARVQWRJIARA-CABCVRRESA-N 2 1 265.401 2.376 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000338018829 214363793 /nfs/dbraw/zinc/36/37/93/214363793.db2.gz MGIZKJLGDKZGMO-UHFFFAOYSA-N 3 1 264.417 2.044 20 0 CEADMP OC[C@H](CC1CCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000338020742 214365000 /nfs/dbraw/zinc/36/50/00/214365000.db2.gz NTDIMFGAFLTCHD-OWCLPIDISA-N 2 1 266.429 2.144 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621671428 349657523 /nfs/dbraw/zinc/65/75/23/349657523.db2.gz SCASYVLGEJRJTC-AWEZNQCLSA-N 2 1 283.460 2.003 20 0 CEADMP CCOc1cncc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000621714967 349672903 /nfs/dbraw/zinc/67/29/03/349672903.db2.gz GFIPSDIFYSEKNG-UHFFFAOYSA-N 2 1 277.412 2.254 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000261595804 539185459 /nfs/dbraw/zinc/18/54/59/539185459.db2.gz OJAHOOPITYZBKN-CABCVRRESA-N 2 1 260.381 2.045 20 0 CEADMP CC(C)CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000394099107 539195264 /nfs/dbraw/zinc/19/52/64/539195264.db2.gz QVEOMPUAXICQLQ-HNNXBMFYSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000394099107 539195265 /nfs/dbraw/zinc/19/52/65/539195265.db2.gz QVEOMPUAXICQLQ-HNNXBMFYSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000394099107 539195266 /nfs/dbraw/zinc/19/52/66/539195266.db2.gz QVEOMPUAXICQLQ-HNNXBMFYSA-N 2 1 256.434 2.198 20 0 CEADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cn1 ZINC000621776393 349698417 /nfs/dbraw/zinc/69/84/17/349698417.db2.gz KHVAPFMCQPUAKB-CQSZACIVSA-N 2 1 263.385 2.087 20 0 CEADMP COc1ccc(CC[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621777670 349699653 /nfs/dbraw/zinc/69/96/53/349699653.db2.gz DYEUZWDNGYHAHD-GDBMZVCRSA-N 2 1 260.381 2.051 20 0 CEADMP COc1ccc(CC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621777670 349699656 /nfs/dbraw/zinc/69/96/56/349699656.db2.gz DYEUZWDNGYHAHD-GDBMZVCRSA-N 2 1 260.381 2.051 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)[C@@H]2CCC[C@H]21 ZINC000621768547 349696238 /nfs/dbraw/zinc/69/62/38/349696238.db2.gz RBJCFDVAIXWXGP-MROQNXINSA-N 2 1 258.356 2.494 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000270904616 282206981 /nfs/dbraw/zinc/20/69/81/282206981.db2.gz RVLJMJVJRFMLJA-KRWDZBQOSA-N 2 1 285.391 2.173 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000270904616 282206982 /nfs/dbraw/zinc/20/69/82/282206982.db2.gz RVLJMJVJRFMLJA-KRWDZBQOSA-N 2 1 285.391 2.173 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000042341507 362085520 /nfs/dbraw/zinc/08/55/20/362085520.db2.gz VSWKRQAMFVXCDG-SWLSCSKDSA-N 2 1 282.815 2.447 20 0 CEADMP COCC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126473051 187242574 /nfs/dbraw/zinc/24/25/74/187242574.db2.gz QDRPEHTUWAWPFU-LBPRGKRZSA-N 2 1 274.368 2.090 20 0 CEADMP CC1CCC([N@H+](C)Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000043402170 362143805 /nfs/dbraw/zinc/14/38/05/362143805.db2.gz LLOLSSBEEOVNOR-UHFFFAOYSA-N 2 1 266.389 2.274 20 0 CEADMP CC1CCC([N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000043402170 362143809 /nfs/dbraw/zinc/14/38/09/362143809.db2.gz LLOLSSBEEOVNOR-UHFFFAOYSA-N 2 1 266.389 2.274 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+](C)CCCN(C)CC[NH+](C)C)CCO1 ZINC000567794993 299092541 /nfs/dbraw/zinc/09/25/41/299092541.db2.gz SNOSQRIFCMERIJ-IAGOWNOFSA-N 2 1 299.503 2.007 20 0 CEADMP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](CO)C(C)C ZINC000449511570 282265747 /nfs/dbraw/zinc/26/57/47/282265747.db2.gz NWKXKYXAUQWAJR-LTIDMASMSA-N 2 1 282.472 2.492 20 0 CEADMP Cc1cccc(N2CCC(OCC[NH+]3CCCC3)CC2)[nH+]1 ZINC000157808681 136396211 /nfs/dbraw/zinc/39/62/11/136396211.db2.gz QUCILJVGTANYPC-UHFFFAOYSA-N 2 1 289.423 2.471 20 0 CEADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000070351536 539321223 /nfs/dbraw/zinc/32/12/23/539321223.db2.gz RWWCLPINVWTSKG-MGPQQGTHSA-N 2 1 252.402 2.160 20 0 CEADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000070351536 539321224 /nfs/dbraw/zinc/32/12/24/539321224.db2.gz RWWCLPINVWTSKG-MGPQQGTHSA-N 2 1 252.402 2.160 20 0 CEADMP CCc1ncc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000414443547 529754274 /nfs/dbraw/zinc/75/42/74/529754274.db2.gz NPJSNVNENUKVMC-MRXNPFEDSA-N 2 1 288.439 2.203 20 0 CEADMP C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000127995667 365771211 /nfs/dbraw/zinc/77/12/11/365771211.db2.gz OCYAPWHDWOBFOY-IXDOHACOSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000127995667 365771216 /nfs/dbraw/zinc/77/12/16/365771216.db2.gz OCYAPWHDWOBFOY-IXDOHACOSA-N 3 1 279.472 2.325 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000127995667 365771219 /nfs/dbraw/zinc/77/12/19/365771219.db2.gz OCYAPWHDWOBFOY-IXDOHACOSA-N 3 1 279.472 2.325 20 0 CEADMP CC[N@H+](CCCn1cc[nH+]c1C)C[C@H]1CCCO1 ZINC000336706318 365771582 /nfs/dbraw/zinc/77/15/82/365771582.db2.gz JPTRUTHNXIZCSS-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CC[N@@H+](CCCn1cc[nH+]c1C)C[C@H]1CCCO1 ZINC000336706318 365771584 /nfs/dbraw/zinc/77/15/84/365771584.db2.gz JPTRUTHNXIZCSS-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCOC2)[C@H](C)C1 ZINC000336721017 365784638 /nfs/dbraw/zinc/78/46/38/365784638.db2.gz XCNSDSKRFRWSIL-ILXRZTDVSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCOC2)[C@H](C)C1 ZINC000336721017 365784645 /nfs/dbraw/zinc/78/46/45/365784645.db2.gz XCNSDSKRFRWSIL-ILXRZTDVSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCOC2)[C@H](C)C1 ZINC000336721017 365784652 /nfs/dbraw/zinc/78/46/52/365784652.db2.gz XCNSDSKRFRWSIL-ILXRZTDVSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000058399710 343643698 /nfs/dbraw/zinc/64/36/98/343643698.db2.gz JETQXCSKKZQCOX-CQSZACIVSA-N 2 1 295.427 2.121 20 0 CEADMP Cc1cc(CO)cc(N2CCC(C[NH+]3CCCC3)CC2)[nH+]1 ZINC000228449399 539342594 /nfs/dbraw/zinc/34/25/94/539342594.db2.gz QYJLTDWOZKQGLM-UHFFFAOYSA-N 2 1 289.423 2.195 20 0 CEADMP CC(C)[C@@H](C(=O)N1CC[NH+](C(C)C)CC1)[NH+]1CCCCC1 ZINC000067291170 343733183 /nfs/dbraw/zinc/73/31/83/343733183.db2.gz JAVVXGDBUNGMKL-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1cncc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000228618558 539350869 /nfs/dbraw/zinc/35/08/69/539350869.db2.gz NWWLAZWELUASKA-HOTGVXAUSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cncc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000228618558 539350871 /nfs/dbraw/zinc/35/08/71/539350871.db2.gz NWWLAZWELUASKA-HOTGVXAUSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1F ZINC000067121538 343729878 /nfs/dbraw/zinc/72/98/78/343729878.db2.gz AJGOKSMTRDXVMM-UHFFFAOYSA-N 2 1 293.430 2.251 20 0 CEADMP COc1ccccc1C[NH2+]CCCn1cc[nH+]c1C ZINC000069754037 343790904 /nfs/dbraw/zinc/79/09/04/343790904.db2.gz PRJOVBBZBPNYRX-UHFFFAOYSA-N 2 1 259.353 2.380 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1)C1CC1 ZINC000449603972 282301319 /nfs/dbraw/zinc/30/13/19/282301319.db2.gz RZODYZPLMGTTKY-STQMWFEESA-N 2 1 289.423 2.136 20 0 CEADMP CC(C)COCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000336783625 365799704 /nfs/dbraw/zinc/79/97/04/365799704.db2.gz CQNMKKSCHJVBGZ-HNNXBMFYSA-N 2 1 256.434 2.465 20 0 CEADMP CC(C)COCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000336783625 365799711 /nfs/dbraw/zinc/79/97/11/365799711.db2.gz CQNMKKSCHJVBGZ-HNNXBMFYSA-N 2 1 256.434 2.465 20 0 CEADMP CC(C)COCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000336783625 365799717 /nfs/dbraw/zinc/79/97/17/365799717.db2.gz CQNMKKSCHJVBGZ-HNNXBMFYSA-N 2 1 256.434 2.465 20 0 CEADMP CC(C)COCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000336783625 365799727 /nfs/dbraw/zinc/79/97/27/365799727.db2.gz CQNMKKSCHJVBGZ-HNNXBMFYSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)N2CCC[C@@H]2C)C1 ZINC000081516286 344055384 /nfs/dbraw/zinc/05/53/84/344055384.db2.gz VNGWBFKRMWPVKA-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)N2CCC[C@@H]2C)C1 ZINC000081516286 344055387 /nfs/dbraw/zinc/05/53/87/344055387.db2.gz VNGWBFKRMWPVKA-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)N2CCC[C@@H]2C)C1 ZINC000081516286 344055391 /nfs/dbraw/zinc/05/53/91/344055391.db2.gz VNGWBFKRMWPVKA-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](C)O2)C[C@@H]1C ZINC000336783592 365800724 /nfs/dbraw/zinc/80/07/24/365800724.db2.gz BYDOKTHEDPRBKU-AJNGGQMLSA-N 2 1 254.418 2.359 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[C@H](C)O2)C[C@@H]1C ZINC000336783592 365800731 /nfs/dbraw/zinc/80/07/31/365800731.db2.gz BYDOKTHEDPRBKU-AJNGGQMLSA-N 2 1 254.418 2.359 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[C@H](C)O2)C[C@@H]1C ZINC000336783592 365800737 /nfs/dbraw/zinc/80/07/37/365800737.db2.gz BYDOKTHEDPRBKU-AJNGGQMLSA-N 2 1 254.418 2.359 20 0 CEADMP C[S@@](=O)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000085299046 344093612 /nfs/dbraw/zinc/09/36/12/344093612.db2.gz PJGLVKVTWFTSRI-FQEVSTJZSA-N 2 1 292.448 2.140 20 0 CEADMP Cc1ncccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093537702 344227562 /nfs/dbraw/zinc/22/75/62/344227562.db2.gz PEDXHSFXGPJKIY-BRWVUGGUSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ncccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093537702 344227564 /nfs/dbraw/zinc/22/75/64/344227564.db2.gz PEDXHSFXGPJKIY-BRWVUGGUSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ncccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093537702 344227566 /nfs/dbraw/zinc/22/75/66/344227566.db2.gz PEDXHSFXGPJKIY-BRWVUGGUSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ncccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093537702 344227567 /nfs/dbraw/zinc/22/75/67/344227567.db2.gz PEDXHSFXGPJKIY-BRWVUGGUSA-N 2 1 271.408 2.306 20 0 CEADMP CCCNC(=O)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351597274 219139185 /nfs/dbraw/zinc/13/91/85/219139185.db2.gz KHFKQOCPXXQOLW-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP Cn1cc(CCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000157217846 344446088 /nfs/dbraw/zinc/44/60/88/344446088.db2.gz UFHBAEVIAMFWTJ-KRWDZBQOSA-N 2 1 290.455 2.303 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1)O[C@H](C)C2 ZINC000228118255 344559182 /nfs/dbraw/zinc/55/91/82/344559182.db2.gz DGIZNXAFPNGUDH-OLZOCXBDSA-N 2 1 290.407 2.189 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CCC[C@@H](C[NH3+])C1)O[C@H](C)C2 ZINC000228118255 344559185 /nfs/dbraw/zinc/55/91/85/344559185.db2.gz DGIZNXAFPNGUDH-OLZOCXBDSA-N 2 1 290.407 2.189 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(F)c1 ZINC000228597221 344561760 /nfs/dbraw/zinc/56/17/60/344561760.db2.gz OVNLVZHARSPFMQ-GFCCVEGCSA-N 2 1 266.360 2.266 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(F)c1 ZINC000228597221 344561762 /nfs/dbraw/zinc/56/17/62/344561762.db2.gz OVNLVZHARSPFMQ-GFCCVEGCSA-N 2 1 266.360 2.266 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245644388 344611849 /nfs/dbraw/zinc/61/18/49/344611849.db2.gz FGZBAEQQATXSPJ-GUIRCDHDSA-N 2 1 265.401 2.373 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)s1 ZINC000449743142 282349591 /nfs/dbraw/zinc/34/95/91/282349591.db2.gz VDXSPDFMKLPXLQ-AAEUAGOBSA-N 2 1 265.426 2.340 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251788703 344637845 /nfs/dbraw/zinc/63/78/45/344637845.db2.gz NKVQSZOWGRHKSS-ZIAGYGMSSA-N 2 1 270.417 2.169 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@@H]1CCCC[C@@H]1O ZINC000328226340 344755218 /nfs/dbraw/zinc/75/52/18/344755218.db2.gz APPZCCXHKOILSE-IRXDYDNUSA-N 2 1 276.424 2.389 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(C)(C)OC)C1 ZINC000336784260 365802372 /nfs/dbraw/zinc/80/23/72/365802372.db2.gz NMYNKUUTPWUVFH-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP C[C@@H](Nc1cc[nH+]cc1Cl)C1CC[NH+](C)CC1 ZINC000396449707 344847003 /nfs/dbraw/zinc/84/70/03/344847003.db2.gz HYOFONVCHCUELP-SNVBAGLBSA-N 2 1 253.777 2.299 20 0 CEADMP CCC1CCC([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000399203740 344857004 /nfs/dbraw/zinc/85/70/04/344857004.db2.gz UYZLAUJLDPWUME-UHFFFAOYSA-N 2 1 254.418 2.002 20 0 CEADMP CCOc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1OC ZINC000401781672 344869882 /nfs/dbraw/zinc/86/98/82/344869882.db2.gz WRKACQZOJMWNSA-UHFFFAOYSA-N 2 1 289.379 2.160 20 0 CEADMP CCCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CCC1 ZINC000351609671 219146717 /nfs/dbraw/zinc/14/67/17/219146717.db2.gz MBTPRTFUPYNPKS-JKSUJKDBSA-N 2 1 268.445 2.390 20 0 CEADMP CCCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CCC1 ZINC000351609671 219146720 /nfs/dbraw/zinc/14/67/20/219146720.db2.gz MBTPRTFUPYNPKS-JKSUJKDBSA-N 2 1 268.445 2.390 20 0 CEADMP CC[NH2+]CCCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584834062 344991210 /nfs/dbraw/zinc/99/12/10/344991210.db2.gz RGKRLVMTYBWLTJ-AEFFLSMTSA-N 2 1 289.467 2.486 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584834062 344991213 /nfs/dbraw/zinc/99/12/13/344991213.db2.gz RGKRLVMTYBWLTJ-AEFFLSMTSA-N 3 1 289.467 2.486 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584834062 344991214 /nfs/dbraw/zinc/99/12/14/344991214.db2.gz RGKRLVMTYBWLTJ-AEFFLSMTSA-N 3 1 289.467 2.486 20 0 CEADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000351621629 219149460 /nfs/dbraw/zinc/14/94/60/219149460.db2.gz QMIOAZSQPYUYTR-RYUDHWBXSA-N 2 1 282.350 2.008 20 0 CEADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351621629 219149464 /nfs/dbraw/zinc/14/94/64/219149464.db2.gz QMIOAZSQPYUYTR-RYUDHWBXSA-N 2 1 282.350 2.008 20 0 CEADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+](C)C(C)C)o1 ZINC000586840181 345026435 /nfs/dbraw/zinc/02/64/35/345026435.db2.gz ALGRIMCWGKILNH-UHFFFAOYSA-N 2 1 295.427 2.191 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(Cc2noc(C3CC3)n2)CC1 ZINC000590786876 345180623 /nfs/dbraw/zinc/18/06/23/345180623.db2.gz GJDXSZWZCMOCDO-UHFFFAOYSA-N 2 1 292.427 2.499 20 0 CEADMP CCn1ccnc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786412 345180867 /nfs/dbraw/zinc/18/08/67/345180867.db2.gz WJNUYEQFNHYKMT-UHFFFAOYSA-N 2 1 278.444 2.455 20 0 CEADMP CCn1ccnc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786412 345180872 /nfs/dbraw/zinc/18/08/72/345180872.db2.gz WJNUYEQFNHYKMT-UHFFFAOYSA-N 2 1 278.444 2.455 20 0 CEADMP CCn1ccnc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786412 345180880 /nfs/dbraw/zinc/18/08/80/345180880.db2.gz WJNUYEQFNHYKMT-UHFFFAOYSA-N 2 1 278.444 2.455 20 0 CEADMP CC[C@@H](CSC)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000591758239 345278000 /nfs/dbraw/zinc/27/80/00/345278000.db2.gz JDYHBDUHSYXBBR-JKSUJKDBSA-N 2 1 296.480 2.211 20 0 CEADMP CC[C@@H](CSC)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000591758239 345278005 /nfs/dbraw/zinc/27/80/05/345278005.db2.gz JDYHBDUHSYXBBR-JKSUJKDBSA-N 2 1 296.480 2.211 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000592494343 345360207 /nfs/dbraw/zinc/36/02/07/345360207.db2.gz QZQWHOOGOAARHR-OAHLLOKOSA-N 2 1 282.428 2.041 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592491703 345360294 /nfs/dbraw/zinc/36/02/94/345360294.db2.gz IKLDNWMZGWWEHH-HOTGVXAUSA-N 2 1 296.455 2.431 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ncccc2C)[C@@H](C)C1 ZINC000295110846 199350402 /nfs/dbraw/zinc/35/04/02/199350402.db2.gz WBRMJGPENQDYEL-GOEBONIOSA-N 2 1 261.413 2.252 20 0 CEADMP CCO[C@@H]1C[N@@H+](CCSCc2ccccc2)C[C@H]1C[NH3+] ZINC000593317767 345465964 /nfs/dbraw/zinc/46/59/64/345465964.db2.gz WYBIEWVYWKJXFE-HZPDHXFCSA-N 2 1 294.464 2.215 20 0 CEADMP CC(C)CSCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594502757 345639685 /nfs/dbraw/zinc/63/96/85/345639685.db2.gz QVUYSHRWTWXATA-HNNXBMFYSA-N 2 1 286.485 2.219 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000623086221 349933740 /nfs/dbraw/zinc/93/37/40/349933740.db2.gz CVNLAXSTTPIXNS-ZDUSSCGKSA-N 2 1 292.408 2.060 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)CC1 ZINC000595332405 345763274 /nfs/dbraw/zinc/76/32/74/345763274.db2.gz GKFFMUXZZVFWPD-MHORFTMASA-N 2 1 291.483 2.133 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)s1 ZINC000172805695 232273264 /nfs/dbraw/zinc/27/32/64/232273264.db2.gz GTRZMAWQIRLJHF-GFCCVEGCSA-N 2 1 253.415 2.143 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)s1 ZINC000172805695 232273266 /nfs/dbraw/zinc/27/32/66/232273266.db2.gz GTRZMAWQIRLJHF-GFCCVEGCSA-N 2 1 253.415 2.143 20 0 CEADMP CCC[N@H+](Cc1csc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC000595885523 345906233 /nfs/dbraw/zinc/90/62/33/345906233.db2.gz OJNDIKNFURHVAP-UHFFFAOYSA-N 2 1 296.436 2.499 20 0 CEADMP CCC[N@@H+](Cc1csc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC000595885523 345906236 /nfs/dbraw/zinc/90/62/36/345906236.db2.gz OJNDIKNFURHVAP-UHFFFAOYSA-N 2 1 296.436 2.499 20 0 CEADMP COC(=O)C(C)(C)CCN[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597179519 346143083 /nfs/dbraw/zinc/14/30/83/346143083.db2.gz IZVKSOGKLIRJAG-GFCCVEGCSA-N 2 1 270.417 2.038 20 0 CEADMP COC(=O)C(C)(C)CCN[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597179519 346143084 /nfs/dbraw/zinc/14/30/84/346143084.db2.gz IZVKSOGKLIRJAG-GFCCVEGCSA-N 2 1 270.417 2.038 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)n1C ZINC000597088962 346127578 /nfs/dbraw/zinc/12/75/78/346127578.db2.gz PIUNYNLIPMAEFC-AWEZNQCLSA-N 2 1 293.411 2.282 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCNC2=O)cc1 ZINC000295137254 199365809 /nfs/dbraw/zinc/36/58/09/199365809.db2.gz YZYYLKCKAPFCAO-LRDDRELGSA-N 2 1 298.390 2.110 20 0 CEADMP CCC[N@H+](Cc1cnc(C)s1)C1CC[NH2+]CC1 ZINC000062337134 362717528 /nfs/dbraw/zinc/71/75/28/362717528.db2.gz KFYLUQOFEXUWKC-UHFFFAOYSA-N 2 1 253.415 2.416 20 0 CEADMP CCC[N@@H+](Cc1cnc(C)s1)C1CC[NH2+]CC1 ZINC000062337134 362717531 /nfs/dbraw/zinc/71/75/31/362717531.db2.gz KFYLUQOFEXUWKC-UHFFFAOYSA-N 2 1 253.415 2.416 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccccc1F ZINC000128416527 187368767 /nfs/dbraw/zinc/36/87/67/187368767.db2.gz FZGDCGCSWNNANE-AWEZNQCLSA-N 2 1 295.402 2.460 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)oc1C ZINC000063200085 362760388 /nfs/dbraw/zinc/76/03/88/362760388.db2.gz RZWIQNMUCPUMHP-CQSZACIVSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000063197875 362760515 /nfs/dbraw/zinc/76/05/15/362760515.db2.gz FURMLVQZNSZQFS-AWEZNQCLSA-N 2 1 265.426 2.416 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCC[C@@H]21 ZINC000599653653 346556021 /nfs/dbraw/zinc/55/60/21/346556021.db2.gz LCBIKNXLWCZUFA-PMPSAXMXSA-N 2 1 296.455 2.382 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCC[C@@H]21 ZINC000599653653 346556024 /nfs/dbraw/zinc/55/60/24/346556024.db2.gz LCBIKNXLWCZUFA-PMPSAXMXSA-N 2 1 296.455 2.382 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC(F)(F)F)C[C@@H]1C ZINC000336799851 365829536 /nfs/dbraw/zinc/82/95/36/365829536.db2.gz KFKKYBJRHKHRHD-NWDGAFQWSA-N 2 1 282.350 2.370 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC(F)(F)F)C[C@@H]1C ZINC000336799851 365829540 /nfs/dbraw/zinc/82/95/40/365829540.db2.gz KFKKYBJRHKHRHD-NWDGAFQWSA-N 2 1 282.350 2.370 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC(F)(F)F)C[C@@H]1C ZINC000336799851 365829542 /nfs/dbraw/zinc/82/95/42/365829542.db2.gz KFKKYBJRHKHRHD-NWDGAFQWSA-N 2 1 282.350 2.370 20 0 CEADMP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336811918 365852060 /nfs/dbraw/zinc/85/20/60/365852060.db2.gz PDWJKMLIHPQZAE-RRFJBIMHSA-N 2 1 286.485 2.048 20 0 CEADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336811918 365852064 /nfs/dbraw/zinc/85/20/64/365852064.db2.gz PDWJKMLIHPQZAE-RRFJBIMHSA-N 2 1 286.485 2.048 20 0 CEADMP CCS[C@@H]1CC[C@H]([NH+](C)C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336811918 365852066 /nfs/dbraw/zinc/85/20/66/365852066.db2.gz PDWJKMLIHPQZAE-RRFJBIMHSA-N 2 1 286.485 2.048 20 0 CEADMP CCS[C@@H]1CC[C@H]([NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336811918 365852070 /nfs/dbraw/zinc/85/20/70/365852070.db2.gz PDWJKMLIHPQZAE-RRFJBIMHSA-N 2 1 286.485 2.048 20 0 CEADMP CCC[C@H](C(=O)N(CC)C[C@@H]1CCC[N@H+]1CC)[NH+](C)C ZINC000568344535 299138509 /nfs/dbraw/zinc/13/85/09/299138509.db2.gz UGOAMOBMHLEBOL-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCC(=O)OC(C)(C)C)C2)CC1 ZINC000602876138 347235205 /nfs/dbraw/zinc/23/52/05/347235205.db2.gz FCWCMDPQIBMMMY-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP Cc1nccn1CC[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000336824111 365879488 /nfs/dbraw/zinc/87/94/88/365879488.db2.gz STFYOCAIWKXVQZ-LSDHHAIUSA-N 2 1 295.452 2.178 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000336824111 365879504 /nfs/dbraw/zinc/87/95/04/365879504.db2.gz STFYOCAIWKXVQZ-LSDHHAIUSA-N 2 1 295.452 2.178 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc2nccn2c1 ZINC000606583926 347482349 /nfs/dbraw/zinc/48/23/49/347482349.db2.gz TUNFYMFIKZJVHG-LBPRGKRZSA-N 2 1 289.383 2.186 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH3+])C1c2ccccc2-c2ccccc21 ZINC000336834146 365902467 /nfs/dbraw/zinc/90/24/67/365902467.db2.gz QGOLSDDXPUWPBZ-LBPRGKRZSA-N 2 1 268.360 2.008 20 0 CEADMP COC1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000129913603 365906849 /nfs/dbraw/zinc/90/68/49/365906849.db2.gz IBIJHIRTKAQVJN-PFSRBDOWSA-N 2 1 252.402 2.160 20 0 CEADMP COC1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000129913603 365906856 /nfs/dbraw/zinc/90/68/56/365906856.db2.gz IBIJHIRTKAQVJN-PFSRBDOWSA-N 2 1 252.402 2.160 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCOc3ccc(F)cc3)C[C@@H]12 ZINC000336834432 365901184 /nfs/dbraw/zinc/90/11/84/365901184.db2.gz RHXZYADWPPXTKG-DAXOMENPSA-N 2 1 278.371 2.264 20 0 CEADMP CCOC1CC(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000351893339 219239055 /nfs/dbraw/zinc/23/90/55/219239055.db2.gz UWLDFTJSNAZTNS-SLTXQBBLSA-N 2 1 268.445 2.464 20 0 CEADMP CCOC1CC(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000351893339 219239058 /nfs/dbraw/zinc/23/90/58/219239058.db2.gz UWLDFTJSNAZTNS-SLTXQBBLSA-N 2 1 268.445 2.464 20 0 CEADMP CCOC1CC(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000351893339 219239059 /nfs/dbraw/zinc/23/90/59/219239059.db2.gz UWLDFTJSNAZTNS-SLTXQBBLSA-N 2 1 268.445 2.464 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(F)c(F)cc2F)C1 ZINC000334847933 539610316 /nfs/dbraw/zinc/61/03/16/539610316.db2.gz YGQUNRGYKOUJMV-ZJUUUORDSA-N 2 1 258.287 2.463 20 0 CEADMP C[C@@H]1C[C@@H](CN2CC[NH+](CCC(C)(C)C)CC2)CC[NH2+]1 ZINC000414692479 297252340 /nfs/dbraw/zinc/25/23/40/297252340.db2.gz QHUJHRZBXIZANL-CVEARBPZSA-N 2 1 281.488 2.428 20 0 CEADMP CCc1noc([C@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000357094726 233005583 /nfs/dbraw/zinc/00/55/83/233005583.db2.gz ZZVCNKRPOFILTD-AAEUAGOBSA-N 2 1 278.400 2.015 20 0 CEADMP C[N@H+]1CC[C@H](NCCC[NH+]2CCCCC2)CC1(C)C ZINC000623342859 349993531 /nfs/dbraw/zinc/99/35/31/349993531.db2.gz RXIOMRBXJGASQV-HNNXBMFYSA-N 2 1 267.461 2.325 20 0 CEADMP CNC(=O)c1cccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623347216 349995059 /nfs/dbraw/zinc/99/50/59/349995059.db2.gz SHMJRJMHAUIPBH-HNNXBMFYSA-N 2 1 289.423 2.009 20 0 CEADMP CNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623347216 349995062 /nfs/dbraw/zinc/99/50/62/349995062.db2.gz SHMJRJMHAUIPBH-HNNXBMFYSA-N 2 1 289.423 2.009 20 0 CEADMP CNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623347216 349995067 /nfs/dbraw/zinc/99/50/67/349995067.db2.gz SHMJRJMHAUIPBH-HNNXBMFYSA-N 2 1 289.423 2.009 20 0 CEADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623354312 349996579 /nfs/dbraw/zinc/99/65/79/349996579.db2.gz NQCXPGWKDHWYCX-OAHLLOKOSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC000623363301 349999800 /nfs/dbraw/zinc/99/98/00/349999800.db2.gz LWQCNUQZTPZGQY-INIZCTEOSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457084392 539656498 /nfs/dbraw/zinc/65/64/98/539656498.db2.gz NZVUCHPHRLIITG-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339072107 539657873 /nfs/dbraw/zinc/65/78/73/539657873.db2.gz TULBXZOALZOVNK-IXDOHACOSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339072107 539657877 /nfs/dbraw/zinc/65/78/77/539657877.db2.gz TULBXZOALZOVNK-IXDOHACOSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339072107 539657881 /nfs/dbraw/zinc/65/78/81/539657881.db2.gz TULBXZOALZOVNK-IXDOHACOSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339072107 539657883 /nfs/dbraw/zinc/65/78/83/539657883.db2.gz TULBXZOALZOVNK-IXDOHACOSA-N 3 1 279.472 2.323 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339072107 539657889 /nfs/dbraw/zinc/65/78/89/539657889.db2.gz TULBXZOALZOVNK-IXDOHACOSA-N 3 1 279.472 2.323 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339072107 539657893 /nfs/dbraw/zinc/65/78/93/539657893.db2.gz TULBXZOALZOVNK-IXDOHACOSA-N 3 1 279.472 2.323 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339072107 539657898 /nfs/dbraw/zinc/65/78/98/539657898.db2.gz TULBXZOALZOVNK-IXDOHACOSA-N 3 1 279.472 2.323 20 0 CEADMP CCCC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617502374 348717269 /nfs/dbraw/zinc/71/72/69/348717269.db2.gz NBNWQZLAGMTGRU-AWEZNQCLSA-N 2 1 285.476 2.201 20 0 CEADMP CCCC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617502374 348717273 /nfs/dbraw/zinc/71/72/73/348717273.db2.gz NBNWQZLAGMTGRU-AWEZNQCLSA-N 2 1 285.476 2.201 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1=CCCCCC1 ZINC000617507320 348717938 /nfs/dbraw/zinc/71/79/38/348717938.db2.gz ROCXBQUKGCCMHK-HNNXBMFYSA-N 2 1 295.471 2.265 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1=CCCCCC1 ZINC000617507320 348717939 /nfs/dbraw/zinc/71/79/39/348717939.db2.gz ROCXBQUKGCCMHK-HNNXBMFYSA-N 2 1 295.471 2.265 20 0 CEADMP CC[C@H]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507580 348718856 /nfs/dbraw/zinc/71/88/56/348718856.db2.gz AXYIIYQDNLLEHF-HRCADAONSA-N 2 1 297.487 2.201 20 0 CEADMP CC[C@H]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507580 348718858 /nfs/dbraw/zinc/71/88/58/348718858.db2.gz AXYIIYQDNLLEHF-HRCADAONSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000617351812 348687459 /nfs/dbraw/zinc/68/74/59/348687459.db2.gz PWNZVHQIXXMJIJ-XGUBFFRZSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000617351812 348687460 /nfs/dbraw/zinc/68/74/60/348687460.db2.gz PWNZVHQIXXMJIJ-XGUBFFRZSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000617351812 348687462 /nfs/dbraw/zinc/68/74/62/348687462.db2.gz PWNZVHQIXXMJIJ-XGUBFFRZSA-N 2 1 295.471 2.237 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccncc3F)C2)CC1 ZINC000336216013 539663002 /nfs/dbraw/zinc/66/30/02/539663002.db2.gz VBXXPYGTFJPBNX-AWEZNQCLSA-N 2 1 277.387 2.384 20 0 CEADMP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)C ZINC000617753693 348780175 /nfs/dbraw/zinc/78/01/75/348780175.db2.gz IKCGBKKVWQQROE-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCCC[C@H]2C)C1 ZINC000339281431 539687937 /nfs/dbraw/zinc/68/79/37/539687937.db2.gz JEDLBWVQQJNCDJ-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2C)C1 ZINC000339281431 539687941 /nfs/dbraw/zinc/68/79/41/539687941.db2.gz JEDLBWVQQJNCDJ-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2C)C1 ZINC000339281431 539687946 /nfs/dbraw/zinc/68/79/46/539687946.db2.gz JEDLBWVQQJNCDJ-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC[NH+]1CCCC[C@@H]1C ZINC000339286047 539690718 /nfs/dbraw/zinc/69/07/18/539690718.db2.gz WTNGRFBTJZLVII-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000339286047 539690722 /nfs/dbraw/zinc/69/07/22/539690722.db2.gz WTNGRFBTJZLVII-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000339286047 539690726 /nfs/dbraw/zinc/69/07/26/539690726.db2.gz WTNGRFBTJZLVII-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N(C)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000362752963 233174574 /nfs/dbraw/zinc/17/45/74/233174574.db2.gz LBZWAHJDPSBCEN-HNNXBMFYSA-N 2 1 299.422 2.354 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N(C)C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000362752963 233174576 /nfs/dbraw/zinc/17/45/76/233174576.db2.gz LBZWAHJDPSBCEN-HNNXBMFYSA-N 2 1 299.422 2.354 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](C)C(C)(C)C)C2)CC1 ZINC000619844308 349239649 /nfs/dbraw/zinc/23/96/49/349239649.db2.gz QXUOBPNTTWWXTI-JKSUJKDBSA-N 2 1 281.488 2.380 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623483788 350031535 /nfs/dbraw/zinc/03/15/35/350031535.db2.gz RIDFVTJYSCUKRY-MGPQQGTHSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COc3ccccc3C2)CC1(C)C ZINC000623382365 350005517 /nfs/dbraw/zinc/00/55/17/350005517.db2.gz DEMNXZBSTHIQJD-GJZGRUSLSA-N 2 1 274.408 2.453 20 0 CEADMP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000623402979 350011067 /nfs/dbraw/zinc/01/10/67/350011067.db2.gz FGXUDJKFJZEQRZ-NSHDSACASA-N 2 1 253.415 2.414 20 0 CEADMP Cc1ncc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)s1 ZINC000623402979 350011070 /nfs/dbraw/zinc/01/10/70/350011070.db2.gz FGXUDJKFJZEQRZ-NSHDSACASA-N 2 1 253.415 2.414 20 0 CEADMP CN(C)c1c(CNC[C@H]2CCC[N@@H+](C)C2)ccc(F)c1F ZINC000623411145 350012002 /nfs/dbraw/zinc/01/20/02/350012002.db2.gz UQHYHZLOQNOBEZ-GFCCVEGCSA-N 2 1 297.393 2.462 20 0 CEADMP CN(C)c1c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)ccc(F)c1F ZINC000623411145 350012007 /nfs/dbraw/zinc/01/20/07/350012007.db2.gz UQHYHZLOQNOBEZ-GFCCVEGCSA-N 2 1 297.393 2.462 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@H]2O)CC1(C)C ZINC000623443489 350022257 /nfs/dbraw/zinc/02/22/57/350022257.db2.gz BGMRJYXPVIYTMT-NUEKZKHPSA-N 2 1 274.408 2.107 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@H]2O)CC1(C)C ZINC000623443489 350022258 /nfs/dbraw/zinc/02/22/58/350022258.db2.gz BGMRJYXPVIYTMT-NUEKZKHPSA-N 2 1 274.408 2.107 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000623656976 350075759 /nfs/dbraw/zinc/07/57/59/350075759.db2.gz HCSBAUYRCYMHGJ-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000623657711 350076963 /nfs/dbraw/zinc/07/69/63/350076963.db2.gz XEPDXJXHDPPATO-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000623657711 350076968 /nfs/dbraw/zinc/07/69/68/350076968.db2.gz XEPDXJXHDPPATO-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H](CO)c2ccsc2)CC1(C)C ZINC000623494996 350033750 /nfs/dbraw/zinc/03/37/50/350033750.db2.gz MFGVFWBAAMUEIG-STQMWFEESA-N 2 1 268.426 2.244 20 0 CEADMP COC1(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623533137 350042991 /nfs/dbraw/zinc/04/29/91/350042991.db2.gz UMNVKRBJFQSQQW-ZDUSSCGKSA-N 2 1 254.418 2.408 20 0 CEADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623543562 350045775 /nfs/dbraw/zinc/04/57/75/350045775.db2.gz ZGEYMIHHVFSOJB-MGPQQGTHSA-N 2 1 254.418 2.406 20 0 CEADMP CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623558993 350050345 /nfs/dbraw/zinc/05/03/45/350050345.db2.gz PIIVUHZXZFRMLN-IHRRRGAJSA-N 2 1 256.434 2.246 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCOC2(C)C)CC1(C)C ZINC000623574347 350055194 /nfs/dbraw/zinc/05/51/94/350055194.db2.gz LLTHCEQLWLMCML-QWHCGFSZSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)CC1(C)C ZINC000623745506 350099953 /nfs/dbraw/zinc/09/99/53/350099953.db2.gz YWKLIPKMBRSUFM-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)CC[N@H+]1C ZINC000090721827 180031955 /nfs/dbraw/zinc/03/19/55/180031955.db2.gz LILCMNVDZVHDKZ-DOMZBBRYSA-N 2 1 285.395 2.044 20 0 CEADMP O[C@@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCc2ccccc21 ZINC000090779777 180038286 /nfs/dbraw/zinc/03/82/86/180038286.db2.gz MNKHRZAQQQQLIC-JFIYKMOQSA-N 2 1 286.419 2.037 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCCO1 ZINC000623915642 350142036 /nfs/dbraw/zinc/14/20/36/350142036.db2.gz MEDNRYGOXQJNTQ-YYIAUSFCSA-N 2 1 298.471 2.423 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccccn2)C1 ZINC000271310233 191066241 /nfs/dbraw/zinc/06/62/41/191066241.db2.gz QXGUWAXIXQFQGW-LSDHHAIUSA-N 2 1 275.396 2.019 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccccn2)C1 ZINC000271310233 191066243 /nfs/dbraw/zinc/06/62/43/191066243.db2.gz QXGUWAXIXQFQGW-LSDHHAIUSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000271310233 191066246 /nfs/dbraw/zinc/06/62/46/191066246.db2.gz QXGUWAXIXQFQGW-LSDHHAIUSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000271310233 191066247 /nfs/dbraw/zinc/06/62/47/191066247.db2.gz QXGUWAXIXQFQGW-LSDHHAIUSA-N 2 1 275.396 2.019 20 0 CEADMP COC1CCC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624121985 350200214 /nfs/dbraw/zinc/20/02/14/350200214.db2.gz HGSSILSDJBECND-WLYUNCDWSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000624123702 350201526 /nfs/dbraw/zinc/20/15/26/350201526.db2.gz RCPKOBHAPJYWJF-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)Nc1cc(CC)[nH+]c(C)n1 ZINC000341136565 539774025 /nfs/dbraw/zinc/77/40/25/539774025.db2.gz ZQEGTEUFHHYYKO-GFCCVEGCSA-N 2 1 264.417 2.302 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)Nc1cc(CC)[nH+]c(C)n1 ZINC000341136565 539774028 /nfs/dbraw/zinc/77/40/28/539774028.db2.gz ZQEGTEUFHHYYKO-GFCCVEGCSA-N 2 1 264.417 2.302 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)C1CCC([NH3+])CC1 ZINC000091844088 180269295 /nfs/dbraw/zinc/26/92/95/180269295.db2.gz ZPSSBZUUVNKRQX-UHFFFAOYSA-N 2 1 276.380 2.160 20 0 CEADMP C[N@@H+](Cc1nc(C(C)(C)C)no1)C1CCC([NH3+])CC1 ZINC000091846370 180269968 /nfs/dbraw/zinc/26/99/68/180269968.db2.gz BCBMUDFWPIIVQL-UHFFFAOYSA-N 2 1 266.389 2.069 20 0 CEADMP C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC1CCOCC1 ZINC000625179640 350422324 /nfs/dbraw/zinc/42/23/24/350422324.db2.gz SJHXTXVEOJHQQM-MRXNPFEDSA-N 2 1 296.455 2.132 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC1CCOCC1 ZINC000625179640 350422327 /nfs/dbraw/zinc/42/23/27/350422327.db2.gz SJHXTXVEOJHQQM-MRXNPFEDSA-N 2 1 296.455 2.132 20 0 CEADMP CCO[C@@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C1CC1 ZINC000625209303 350429739 /nfs/dbraw/zinc/42/97/39/350429739.db2.gz HILYPHIALCAXJW-WBVHZDCISA-N 2 1 280.456 2.465 20 0 CEADMP CCO[C@@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CC1 ZINC000625209303 350429743 /nfs/dbraw/zinc/42/97/43/350429743.db2.gz HILYPHIALCAXJW-WBVHZDCISA-N 2 1 280.456 2.465 20 0 CEADMP CCO[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CC1 ZINC000625209303 350429746 /nfs/dbraw/zinc/42/97/46/350429746.db2.gz HILYPHIALCAXJW-WBVHZDCISA-N 2 1 280.456 2.465 20 0 CEADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000105862161 186079858 /nfs/dbraw/zinc/07/98/58/186079858.db2.gz FWUIFIPVYRQGJP-OAHLLOKOSA-N 2 1 276.424 2.211 20 0 CEADMP Cc1csc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000335633534 212349244 /nfs/dbraw/zinc/34/92/44/212349244.db2.gz JGBPMCXDVOJQSH-OLZOCXBDSA-N 2 1 265.426 2.273 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC000107368987 186171724 /nfs/dbraw/zinc/17/17/24/186171724.db2.gz VMTYNXCNHKBMGO-MRXNPFEDSA-N 2 1 291.414 2.038 20 0 CEADMP CCCn1cc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cn1 ZINC000130488862 365962195 /nfs/dbraw/zinc/96/21/95/365962195.db2.gz NPHGAJCGOIGIJA-GOEBONIOSA-N 2 1 278.444 2.455 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C1CC1 ZINC000625448610 350501986 /nfs/dbraw/zinc/50/19/86/350501986.db2.gz PAEBXLOHTABHNK-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CCO[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C1CC1 ZINC000625448610 350501988 /nfs/dbraw/zinc/50/19/88/350501988.db2.gz PAEBXLOHTABHNK-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CCO[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C1CC1 ZINC000625448610 350501990 /nfs/dbraw/zinc/50/19/90/350501990.db2.gz PAEBXLOHTABHNK-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130549407 365966316 /nfs/dbraw/zinc/96/63/16/365966316.db2.gz XYWLTBVWPXHFSV-ZIAGYGMSSA-N 2 1 294.443 2.207 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130549407 365966320 /nfs/dbraw/zinc/96/63/20/365966320.db2.gz XYWLTBVWPXHFSV-ZIAGYGMSSA-N 2 1 294.443 2.207 20 0 CEADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(OC)c1 ZINC000130552542 365967296 /nfs/dbraw/zinc/96/72/96/365967296.db2.gz BVEACBZUTNMWKH-XKQJLSEDSA-N 2 1 290.407 2.263 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)C1CCCCC1 ZINC000625988105 350621899 /nfs/dbraw/zinc/62/18/99/350621899.db2.gz VORXRPQYCAUPOI-GDBMZVCRSA-N 2 1 270.461 2.447 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)C1CCCCC1 ZINC000625988105 350621902 /nfs/dbraw/zinc/62/19/02/350621902.db2.gz VORXRPQYCAUPOI-GDBMZVCRSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H](C)C1CCCCC1 ZINC000625988105 350621904 /nfs/dbraw/zinc/62/19/04/350621904.db2.gz VORXRPQYCAUPOI-GDBMZVCRSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC000625988105 350621906 /nfs/dbraw/zinc/62/19/06/350621906.db2.gz VORXRPQYCAUPOI-GDBMZVCRSA-N 2 1 270.461 2.447 20 0 CEADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCCOC3)CC2)cc1 ZINC000109545840 186262326 /nfs/dbraw/zinc/26/23/26/186262326.db2.gz SSUXTEWYUXDRJP-SFHVURJKSA-N 2 1 288.435 2.462 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000094367423 282712364 /nfs/dbraw/zinc/71/23/64/282712364.db2.gz HNWQYNCFOFYMSC-AWEZNQCLSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000110649627 186309856 /nfs/dbraw/zinc/30/98/56/186309856.db2.gz YMWDVPZLVXPGNC-JTQLQIEISA-N 2 1 292.408 2.357 20 0 CEADMP C[N@H+](Cc1cnc(C2CC2)o1)CC1CC[NH+](C)CC1 ZINC000628163590 350986376 /nfs/dbraw/zinc/98/63/76/350986376.db2.gz JSKDOASUXBHUMJ-UHFFFAOYSA-N 2 1 263.385 2.326 20 0 CEADMP C[C@]1(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CCCS1 ZINC000628217415 351009545 /nfs/dbraw/zinc/00/95/45/351009545.db2.gz VSZZPRSEFFQZJD-LSDHHAIUSA-N 2 1 286.485 2.099 20 0 CEADMP C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)[NH+]1CCCCCC1 ZINC000628753369 351184284 /nfs/dbraw/zinc/18/42/84/351184284.db2.gz XRAKAYLRLQFCEY-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[NH+](CC)CC ZINC000628966134 351229042 /nfs/dbraw/zinc/22/90/42/351229042.db2.gz ULOJEAKFKGHKAE-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C12CCCCC2 ZINC000629543520 351404906 /nfs/dbraw/zinc/40/49/06/351404906.db2.gz AWAVGYIRRLBXAP-YJNKXOJESA-N 2 1 266.429 2.454 20 0 CEADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000629543765 351405267 /nfs/dbraw/zinc/40/52/67/351405267.db2.gz AYRARHUTYCYGIL-SJXGUFTOSA-N 2 1 259.397 2.448 20 0 CEADMP Cc1cc(C[NH2+]CC2([NH3+])CCOCC2)ccc1Cl ZINC000629387830 351346156 /nfs/dbraw/zinc/34/61/56/351346156.db2.gz LCWJDGWLXYHFKD-UHFFFAOYSA-N 2 1 268.788 2.246 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000629389250 351347191 /nfs/dbraw/zinc/34/71/91/351347191.db2.gz TUPLHYCMPNEBAS-VHDGCEQUSA-N 2 1 264.417 2.125 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[C@@H](C)[NH2+]C3)CC2)n1 ZINC000629542405 351404312 /nfs/dbraw/zinc/40/43/12/351404312.db2.gz YYLIWQDJQRHBDB-WKIYYKSKSA-N 2 1 278.400 2.134 20 0 CEADMP CC1(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629652919 351451002 /nfs/dbraw/zinc/45/10/02/351451002.db2.gz CKMKMILAJIWVKH-VHSXEESVSA-N 2 1 250.308 2.246 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)CC[NH2+]1 ZINC000629652979 351451355 /nfs/dbraw/zinc/45/13/55/351451355.db2.gz CYHRYLSKRRJIRH-FQUUOJAGSA-N 2 1 254.443 2.344 20 0 CEADMP Cc1ccc2cc(C[NH2+]CC3([NH3+])CCOCC3)ccc2n1 ZINC000629655159 351451769 /nfs/dbraw/zinc/45/17/69/351451769.db2.gz SVBMNDUAICUNCO-UHFFFAOYSA-N 2 1 285.391 2.141 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCc3c(O)cccc3C2)CC[NH2+]1 ZINC000629663628 351455926 /nfs/dbraw/zinc/45/59/26/351455926.db2.gz IOVQAHWKTGAZNM-CHWSQXEVSA-N 2 1 260.381 2.138 20 0 CEADMP CCOc1c(Cl)cccc1C[N@@H+](C)CCOCC[NH3+] ZINC000629662460 351456203 /nfs/dbraw/zinc/45/62/03/351456203.db2.gz FRSLIQGEQFPXKI-UHFFFAOYSA-N 2 1 286.803 2.146 20 0 CEADMP C[C@@H](CCc1ccccc1)C[N@@H+](C)CCOCC[NH3+] ZINC000629662911 351456416 /nfs/dbraw/zinc/45/64/16/351456416.db2.gz IDZYKMJCROXSDZ-HNNXBMFYSA-N 2 1 264.413 2.162 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000629547694 351407226 /nfs/dbraw/zinc/40/72/26/351407226.db2.gz FUZHIRIKWUHFSU-CJNGLKHVSA-N 2 1 298.377 2.115 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000629547694 351407231 /nfs/dbraw/zinc/40/72/31/351407231.db2.gz FUZHIRIKWUHFSU-CJNGLKHVSA-N 2 1 298.377 2.115 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CCC1 ZINC000629565034 351416348 /nfs/dbraw/zinc/41/63/48/351416348.db2.gz UPVKGVGBKRWROY-FRRDWIJNSA-N 2 1 294.361 2.261 20 0 CEADMP CC(C)CC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629567071 351417601 /nfs/dbraw/zinc/41/76/01/351417601.db2.gz VEAWRABJFNVPFN-QWRGUYRKSA-N 2 1 252.324 2.492 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC000629569819 351418104 /nfs/dbraw/zinc/41/81/04/351418104.db2.gz RYLMNMZRBZSSRR-UHFFFAOYSA-N 2 1 264.413 2.280 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)CC[C@H]1CCC[C@H](C)C1 ZINC000629571451 351418495 /nfs/dbraw/zinc/41/84/95/351418495.db2.gz MDSCLSDXUVUVAR-LSDHHAIUSA-N 2 1 256.434 2.371 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000070149582 363036831 /nfs/dbraw/zinc/03/68/31/363036831.db2.gz QJLYKWRRKPCMGB-HNNXBMFYSA-N 2 1 275.396 2.219 20 0 CEADMP COc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1O ZINC000070148818 363036847 /nfs/dbraw/zinc/03/68/47/363036847.db2.gz JYSAWFHTXLZCIH-ZDUSSCGKSA-N 2 1 264.369 2.104 20 0 CEADMP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1O ZINC000070148818 363036851 /nfs/dbraw/zinc/03/68/51/363036851.db2.gz JYSAWFHTXLZCIH-ZDUSSCGKSA-N 2 1 264.369 2.104 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000070169730 363042020 /nfs/dbraw/zinc/04/20/20/363042020.db2.gz MQKZIPKTFJPLNR-CYBMUJFWSA-N 2 1 276.380 2.019 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(OC)c1 ZINC000070169697 363042085 /nfs/dbraw/zinc/04/20/85/363042085.db2.gz APAWDIATQDXSAB-ZDUSSCGKSA-N 2 1 278.396 2.265 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[NH+](C)C2CCC2)C1 ZINC000629948572 351548342 /nfs/dbraw/zinc/54/83/42/351548342.db2.gz FSZWYGPCSADQDJ-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC000629948572 351548350 /nfs/dbraw/zinc/54/83/50/351548350.db2.gz FSZWYGPCSADQDJ-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC000629948572 351548356 /nfs/dbraw/zinc/54/83/56/351548356.db2.gz FSZWYGPCSADQDJ-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCCN(CC[NH+]1CCCCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC000629992581 351574602 /nfs/dbraw/zinc/57/46/02/351574602.db2.gz UGOWLJDCTQEIIS-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c[nH]c4nccnc34)C2)CC1 ZINC000291492290 198036011 /nfs/dbraw/zinc/03/60/11/198036011.db2.gz GRENOGPUUGBOEL-CQSZACIVSA-N 2 1 299.422 2.122 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cccn1 ZINC000271443386 191141656 /nfs/dbraw/zinc/14/16/56/191141656.db2.gz GYSBIKZISCTQOE-AEFFLSMTSA-N 2 1 298.434 2.383 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1OC(F)F ZINC000131573391 366066691 /nfs/dbraw/zinc/06/66/91/366066691.db2.gz IUNJUQKBWLROPP-QWRGUYRKSA-N 2 1 270.323 2.457 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1OC(F)F ZINC000131573391 366066698 /nfs/dbraw/zinc/06/66/98/366066698.db2.gz IUNJUQKBWLROPP-QWRGUYRKSA-N 2 1 270.323 2.457 20 0 CEADMP COCc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000122058982 187012322 /nfs/dbraw/zinc/01/23/22/187012322.db2.gz FZEIWCZPUZLDDO-CJNGLKHVSA-N 2 1 262.397 2.263 20 0 CEADMP COCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000124100178 187122318 /nfs/dbraw/zinc/12/23/18/187122318.db2.gz UWBWBTIIHCKPND-HNNXBMFYSA-N 2 1 292.423 2.033 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000123592888 187099868 /nfs/dbraw/zinc/09/98/68/187099868.db2.gz VQXNIZSHTSPEED-PBHICJAKSA-N 3 1 275.440 2.321 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CCN1C ZINC000123592888 187099869 /nfs/dbraw/zinc/09/98/69/187099869.db2.gz VQXNIZSHTSPEED-PBHICJAKSA-N 2 1 275.440 2.321 20 0 CEADMP C[C@@H]1C[C@@H](NCc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000123592888 187099870 /nfs/dbraw/zinc/09/98/70/187099870.db2.gz VQXNIZSHTSPEED-PBHICJAKSA-N 2 1 275.440 2.321 20 0 CEADMP C[C@@H]1C[C@@H](NCc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000123592888 187099871 /nfs/dbraw/zinc/09/98/71/187099871.db2.gz VQXNIZSHTSPEED-PBHICJAKSA-N 2 1 275.440 2.321 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)Cc2ccccc2)CC[N@@H+]1C ZINC000123733873 187106571 /nfs/dbraw/zinc/10/65/71/187106571.db2.gz NNDYUVWDXSRMSR-USXIJHARSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)Cc2ccccc2)CC[N@H+]1C ZINC000123733873 187106572 /nfs/dbraw/zinc/10/65/72/187106572.db2.gz NNDYUVWDXSRMSR-USXIJHARSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)C[C@H](O)Cc2ccccc2)CC[NH+]1C ZINC000123733873 187106573 /nfs/dbraw/zinc/10/65/73/187106573.db2.gz NNDYUVWDXSRMSR-USXIJHARSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)C[C@H](O)Cc2ccccc2)CC[NH+]1C ZINC000123733873 187106574 /nfs/dbraw/zinc/10/65/74/187106574.db2.gz NNDYUVWDXSRMSR-USXIJHARSA-N 2 1 276.424 2.005 20 0 CEADMP O=c1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c[nH]1 ZINC000631037432 351931664 /nfs/dbraw/zinc/93/16/64/351931664.db2.gz JTYJOIOYIUECTJ-UHFFFAOYSA-N 2 1 297.402 2.325 20 0 CEADMP O=c1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c[nH]1 ZINC000631037432 351931667 /nfs/dbraw/zinc/93/16/67/351931667.db2.gz JTYJOIOYIUECTJ-UHFFFAOYSA-N 2 1 297.402 2.325 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cncc(OC)c2C)C1 ZINC000631056991 351942248 /nfs/dbraw/zinc/94/22/48/351942248.db2.gz QAKAPIBQCGEIER-AWEZNQCLSA-N 2 1 277.412 2.220 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cncc(OC)c2C)C1 ZINC000631056991 351942254 /nfs/dbraw/zinc/94/22/54/351942254.db2.gz QAKAPIBQCGEIER-AWEZNQCLSA-N 2 1 277.412 2.220 20 0 CEADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H](O)C(F)(F)F ZINC000631232780 352029287 /nfs/dbraw/zinc/02/92/87/352029287.db2.gz VOJDNQDITRKOFR-CYDGBPFRSA-N 2 1 294.361 2.151 20 0 CEADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](O)C(F)(F)F ZINC000631232780 352029290 /nfs/dbraw/zinc/02/92/90/352029290.db2.gz VOJDNQDITRKOFR-CYDGBPFRSA-N 2 1 294.361 2.151 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)cc1C ZINC000261964586 539853761 /nfs/dbraw/zinc/85/37/61/539853761.db2.gz HQQUPIJBNCTYEK-MRXNPFEDSA-N 2 1 262.397 2.435 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CO)CCCCC2)[C@@H](C)C1 ZINC000678595509 539893279 /nfs/dbraw/zinc/89/32/79/539893279.db2.gz BACUBGLVBPOWMD-GJZGRUSLSA-N 2 1 268.445 2.249 20 0 CEADMP Cc1ccncc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000271595186 191231534 /nfs/dbraw/zinc/23/15/34/191231534.db2.gz UKHVGPYLEYCBAA-MRXNPFEDSA-N 2 1 290.455 2.068 20 0 CEADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1nccn1C ZINC000271649611 191258634 /nfs/dbraw/zinc/25/86/34/191258634.db2.gz AVWIMBFJJKFORR-CYBMUJFWSA-N 2 1 261.373 2.056 20 0 CEADMP COc1ccccc1C[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000250986479 539971041 /nfs/dbraw/zinc/97/10/41/539971041.db2.gz KJIXZPGROWGYJJ-KBPBESRZSA-N 2 1 262.397 2.168 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCc2ccccc21 ZINC000153743207 188101168 /nfs/dbraw/zinc/10/11/68/188101168.db2.gz SDLKBNHGMNVPER-INIZCTEOSA-N 2 1 262.397 2.232 20 0 CEADMP CC[C@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)CC[C@H]1[NH3+] ZINC000251717321 539990362 /nfs/dbraw/zinc/99/03/62/539990362.db2.gz JTVPXLVHANOGAO-GOEBONIOSA-N 2 1 274.408 2.223 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1cccc(Cl)c1 ZINC000131765630 366087697 /nfs/dbraw/zinc/08/76/97/366087697.db2.gz JVHXXYPSIKTJSD-RYUDHWBXSA-N 2 1 268.788 2.388 20 0 CEADMP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416588 540003181 /nfs/dbraw/zinc/00/31/81/540003181.db2.gz OHVFAAQIRIRTBF-GDBMZVCRSA-N 2 1 276.428 2.001 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416588 540003186 /nfs/dbraw/zinc/00/31/86/540003186.db2.gz OHVFAAQIRIRTBF-GDBMZVCRSA-N 2 1 276.428 2.001 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000494889224 291003469 /nfs/dbraw/zinc/00/34/69/291003469.db2.gz KGBHMIMFVWNKNV-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc([S@@](C)=O)cc2)C1 ZINC000459721787 540015120 /nfs/dbraw/zinc/01/51/20/540015120.db2.gz AXQRTPBYHPFRPY-FOIQADDNSA-N 2 1 294.464 2.246 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000358569634 283056183 /nfs/dbraw/zinc/05/61/83/283056183.db2.gz WPRITAJXEFBWSW-INIZCTEOSA-N 2 1 291.439 2.056 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000679346194 540045322 /nfs/dbraw/zinc/04/53/22/540045322.db2.gz AOQCVGADRRHVJH-BFYDXBDKSA-N 2 1 296.455 2.035 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnn(C(C)C)c1 ZINC000171841526 188763480 /nfs/dbraw/zinc/76/34/80/188763480.db2.gz BVVUIVFKQYUDII-CYBMUJFWSA-N 2 1 275.400 2.395 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c(C)n1 ZINC000271895510 191394606 /nfs/dbraw/zinc/39/46/06/191394606.db2.gz UAJGBRUQIWHZIX-LLVKDONJSA-N 2 1 260.385 2.006 20 0 CEADMP CN(C)C(=O)OC[C@H]1CCCCN1CC[C@@H]1CCC[N@H+]1C ZINC000495689621 291065878 /nfs/dbraw/zinc/06/58/78/291065878.db2.gz UPUMLVFMWLAEHF-LSDHHAIUSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000495689621 291065881 /nfs/dbraw/zinc/06/58/81/291065881.db2.gz UPUMLVFMWLAEHF-LSDHHAIUSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000495689621 291065883 /nfs/dbraw/zinc/06/58/83/291065883.db2.gz UPUMLVFMWLAEHF-LSDHHAIUSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)OC[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000495689621 291065886 /nfs/dbraw/zinc/06/58/86/291065886.db2.gz UPUMLVFMWLAEHF-LSDHHAIUSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)OC[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000495689621 291065889 /nfs/dbraw/zinc/06/58/89/291065889.db2.gz UPUMLVFMWLAEHF-LSDHHAIUSA-N 2 1 297.443 2.023 20 0 CEADMP Cc1ccnc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000683013323 540172261 /nfs/dbraw/zinc/17/22/61/540172261.db2.gz GWLWBRHIBJOFCP-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccnc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000683013323 540172264 /nfs/dbraw/zinc/17/22/64/540172264.db2.gz GWLWBRHIBJOFCP-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccnc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000683013323 540172266 /nfs/dbraw/zinc/17/22/66/540172266.db2.gz GWLWBRHIBJOFCP-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccnc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000683013323 540172268 /nfs/dbraw/zinc/17/22/68/540172268.db2.gz GWLWBRHIBJOFCP-HOCLYGCPSA-N 2 1 259.397 2.306 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000451882533 283133968 /nfs/dbraw/zinc/13/39/68/283133968.db2.gz ADKYVFXLDLBBAT-HIFRSBDPSA-N 2 1 264.417 2.428 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000451882533 283133970 /nfs/dbraw/zinc/13/39/70/283133970.db2.gz ADKYVFXLDLBBAT-HIFRSBDPSA-N 2 1 264.417 2.428 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCS2)[C@H]2CCC[C@@H]21 ZINC000353395980 283137708 /nfs/dbraw/zinc/13/77/08/283137708.db2.gz SFSYEDGQOJXVGD-CRWXNKLISA-N 2 1 254.443 2.344 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451906237 283139413 /nfs/dbraw/zinc/13/94/13/283139413.db2.gz LCYCOISYUPPUAF-JHJVBQTASA-N 2 1 294.361 2.106 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451906237 283139416 /nfs/dbraw/zinc/13/94/16/283139416.db2.gz LCYCOISYUPPUAF-JHJVBQTASA-N 2 1 294.361 2.106 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451906237 283139418 /nfs/dbraw/zinc/13/94/18/283139418.db2.gz LCYCOISYUPPUAF-JHJVBQTASA-N 2 1 294.361 2.106 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451906237 283139421 /nfs/dbraw/zinc/13/94/21/283139421.db2.gz LCYCOISYUPPUAF-JHJVBQTASA-N 2 1 294.361 2.106 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000273659373 192250260 /nfs/dbraw/zinc/25/02/60/192250260.db2.gz XTQJZUMLZCPBOT-HOCLYGCPSA-N 2 1 277.412 2.441 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000496003692 291099356 /nfs/dbraw/zinc/09/93/56/291099356.db2.gz CIBYGMJMUFRWKI-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000496003692 291099359 /nfs/dbraw/zinc/09/93/59/291099359.db2.gz CIBYGMJMUFRWKI-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000367599148 283172483 /nfs/dbraw/zinc/17/24/83/283172483.db2.gz GPYUQBBNYSKLGE-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367599148 283172486 /nfs/dbraw/zinc/17/24/86/283172486.db2.gz GPYUQBBNYSKLGE-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367599148 283172488 /nfs/dbraw/zinc/17/24/88/283172488.db2.gz GPYUQBBNYSKLGE-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC000359773048 283186124 /nfs/dbraw/zinc/18/61/24/283186124.db2.gz HQTIPQUKCUOMDI-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000359773048 283186126 /nfs/dbraw/zinc/18/61/26/283186126.db2.gz HQTIPQUKCUOMDI-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000359773048 283186128 /nfs/dbraw/zinc/18/61/28/283186128.db2.gz HQTIPQUKCUOMDI-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000076000643 363506185 /nfs/dbraw/zinc/50/61/85/363506185.db2.gz YNTAYZGOEYGDHG-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000452151897 283205374 /nfs/dbraw/zinc/20/53/74/283205374.db2.gz OGQOMYFHUAABGL-RDJZCZTQSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000338361275 366317305 /nfs/dbraw/zinc/31/73/05/366317305.db2.gz QUNFLMCEFVSRSB-SOUVJXGZSA-N 2 1 256.434 2.200 20 0 CEADMP CCCn1nc(C)c(C[NH2+]C[C@H](C)C[NH+](C)C)c1C ZINC000491588050 290526838 /nfs/dbraw/zinc/52/68/38/290526838.db2.gz DSZGACZPOHJEOQ-LBPRGKRZSA-N 2 1 266.433 2.197 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1C ZINC000257652712 538872491 /nfs/dbraw/zinc/87/24/91/538872491.db2.gz DQKPZQRGYICQQG-INIZCTEOSA-N 2 1 260.381 2.189 20 0 CEADMP CCOc1ccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)nc1 ZINC000088521934 538878807 /nfs/dbraw/zinc/87/88/07/538878807.db2.gz IFNBBYTUIYDIAY-CQSZACIVSA-N 2 1 277.412 2.254 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000336267339 213103853 /nfs/dbraw/zinc/10/38/53/213103853.db2.gz JZXMKYDVZQMRTH-OAHLLOKOSA-N 2 1 280.456 2.488 20 0 CEADMP CCC[N@H+](Cc1c(C)noc1C)C1CC[NH2+]CC1 ZINC000037539281 283291755 /nfs/dbraw/zinc/29/17/55/283291755.db2.gz IUFHZRPJHNWNLW-UHFFFAOYSA-N 2 1 251.374 2.255 20 0 CEADMP CCC[N@@H+](Cc1c(C)noc1C)C1CC[NH2+]CC1 ZINC000037539281 283291759 /nfs/dbraw/zinc/29/17/59/283291759.db2.gz IUFHZRPJHNWNLW-UHFFFAOYSA-N 2 1 251.374 2.255 20 0 CEADMP Cc1csc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000156094749 540320523 /nfs/dbraw/zinc/32/05/23/540320523.db2.gz XJLGSFSNQXNPSL-QWHCGFSZSA-N 2 1 265.426 2.210 20 0 CEADMP COc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1F ZINC000166060793 540330185 /nfs/dbraw/zinc/33/01/85/540330185.db2.gz LTISLTRJKQTODH-WDEREUQCSA-N 2 1 252.333 2.003 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1F ZINC000166060793 540330188 /nfs/dbraw/zinc/33/01/88/540330188.db2.gz LTISLTRJKQTODH-WDEREUQCSA-N 2 1 252.333 2.003 20 0 CEADMP CC(C)n1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000388775105 540330991 /nfs/dbraw/zinc/33/09/91/540330991.db2.gz PQRFQQOPECFEBS-GJZGRUSLSA-N 2 1 262.401 2.025 20 0 CEADMP CC(C)n1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000388775105 540330994 /nfs/dbraw/zinc/33/09/94/540330994.db2.gz PQRFQQOPECFEBS-GJZGRUSLSA-N 2 1 262.401 2.025 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H](C)C(=O)N2CCCC[C@H]2C)CC1 ZINC000156204980 540322562 /nfs/dbraw/zinc/32/25/62/540322562.db2.gz XGQVQYXVNAKAAA-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353455477 283320537 /nfs/dbraw/zinc/32/05/37/283320537.db2.gz REAROPHUENOMFH-BBWFWOEESA-N 2 1 279.472 2.323 20 0 CEADMP COc1ccccc1OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157994109 540376596 /nfs/dbraw/zinc/37/65/96/540376596.db2.gz AZJGGXAUCHFAOY-HUUCEWRRSA-N 2 1 290.407 2.290 20 0 CEADMP Cc1occc1CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000414442601 236365751 /nfs/dbraw/zinc/36/57/51/236365751.db2.gz YLASAPXNJKRQLP-ZDUSSCGKSA-N 2 1 266.385 2.179 20 0 CEADMP Cc1occc1C[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000414442601 236365753 /nfs/dbraw/zinc/36/57/53/236365753.db2.gz YLASAPXNJKRQLP-ZDUSSCGKSA-N 2 1 266.385 2.179 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4cccnc4o3)C2)C1 ZINC000336212181 213035107 /nfs/dbraw/zinc/03/51/07/213035107.db2.gz IBLOVWVNYCIPBV-INIZCTEOSA-N 2 1 271.364 2.355 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4cccnc4o3)C2)C1 ZINC000336212181 213035112 /nfs/dbraw/zinc/03/51/12/213035112.db2.gz IBLOVWVNYCIPBV-INIZCTEOSA-N 2 1 271.364 2.355 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4cccnc4o3)C2)C1 ZINC000336212181 213035114 /nfs/dbraw/zinc/03/51/14/213035114.db2.gz IBLOVWVNYCIPBV-INIZCTEOSA-N 2 1 271.364 2.355 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4cccnc4o3)C2)C1 ZINC000336212181 213035119 /nfs/dbraw/zinc/03/51/19/213035119.db2.gz IBLOVWVNYCIPBV-INIZCTEOSA-N 2 1 271.364 2.355 20 0 CEADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000158942168 540394998 /nfs/dbraw/zinc/39/49/98/540394998.db2.gz NEEZACXBOBNXMR-UKRRQHHQSA-N 2 1 262.397 2.310 20 0 CEADMP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000135105187 366396443 /nfs/dbraw/zinc/39/64/43/366396443.db2.gz PCQWRFMOOPBOBS-SNVBAGLBSA-N 2 1 284.201 2.375 20 0 CEADMP Cn1ccnc1[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000577814001 366400075 /nfs/dbraw/zinc/40/00/75/366400075.db2.gz CCYSWCGPNDJOBL-HNNXBMFYSA-N 2 1 276.428 2.085 20 0 CEADMP C[C@@H]([NH2+]CCc1ccnn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338570895 366418206 /nfs/dbraw/zinc/41/82/06/366418206.db2.gz JIQPHECNMSDYJK-HUUCEWRRSA-N 2 1 290.455 2.205 20 0 CEADMP Cc1ccc(CCC[NH2+][C@H](C[NH3+])C2CCCC2)cn1 ZINC000415064130 236614873 /nfs/dbraw/zinc/61/48/73/236614873.db2.gz JWUXECSXUBNZFE-MRXNPFEDSA-N 2 1 261.413 2.430 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000294901979 199239459 /nfs/dbraw/zinc/23/94/59/199239459.db2.gz RQDJKKSVKMKBJT-PQEBFOHHSA-N 2 1 274.408 2.152 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000294901979 199239461 /nfs/dbraw/zinc/23/94/61/199239461.db2.gz RQDJKKSVKMKBJT-PQEBFOHHSA-N 2 1 274.408 2.152 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000570889955 299283296 /nfs/dbraw/zinc/28/32/96/299283296.db2.gz ZLQZLYXCVMDFHO-KFWWJZLASA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000570889955 299283299 /nfs/dbraw/zinc/28/32/99/299283299.db2.gz ZLQZLYXCVMDFHO-KFWWJZLASA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000570889955 299283302 /nfs/dbraw/zinc/28/33/02/299283302.db2.gz ZLQZLYXCVMDFHO-KFWWJZLASA-N 2 1 255.450 2.179 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000135881053 366479558 /nfs/dbraw/zinc/47/95/58/366479558.db2.gz JJINGBUPBBEKEF-GHMZBOCLSA-N 2 1 261.394 2.465 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000135881053 366479559 /nfs/dbraw/zinc/47/95/59/366479559.db2.gz JJINGBUPBBEKEF-GHMZBOCLSA-N 2 1 261.394 2.465 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000578634976 366525020 /nfs/dbraw/zinc/52/50/20/366525020.db2.gz QHEUFAKJLOFKMS-VXGBXAGGSA-N 2 1 294.361 2.011 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000578634976 366525027 /nfs/dbraw/zinc/52/50/27/366525027.db2.gz QHEUFAKJLOFKMS-VXGBXAGGSA-N 2 1 294.361 2.011 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2C2CC2)CCCO1 ZINC000313349908 540465718 /nfs/dbraw/zinc/46/57/18/540465718.db2.gz VWOBFTUFMXSYPX-HNNXBMFYSA-N 2 1 260.381 2.114 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](CO)CC2CCCCC2)CC1 ZINC000417365350 237096306 /nfs/dbraw/zinc/09/63/06/237096306.db2.gz MHEYAXSLVCKKAD-KRWDZBQOSA-N 2 1 298.471 2.018 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671739648 540496760 /nfs/dbraw/zinc/49/67/60/540496760.db2.gz GUTZIQHTNDOJKB-SNVBAGLBSA-N 2 1 275.352 2.278 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667868587 540525543 /nfs/dbraw/zinc/52/55/43/540525543.db2.gz AUGXMDWYYRHOCM-FXUDXRNXSA-N 2 1 266.429 2.002 20 0 CEADMP C[C@H]1CSCC[N@@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000668058268 540561528 /nfs/dbraw/zinc/56/15/28/540561528.db2.gz LNYOMHWCHUXKEV-CYBMUJFWSA-N 2 1 288.420 2.452 20 0 CEADMP C[C@H]1CSCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668058268 540561532 /nfs/dbraw/zinc/56/15/32/540561532.db2.gz LNYOMHWCHUXKEV-CYBMUJFWSA-N 2 1 288.420 2.452 20 0 CEADMP Cc1ccc2cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)[nH]c2c1 ZINC000668077279 540564135 /nfs/dbraw/zinc/56/41/35/540564135.db2.gz KBOMJCRLOVXFGH-GASCZTMLSA-N 2 1 269.392 2.470 20 0 CEADMP Cc1ccc2cc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)[nH]c2c1 ZINC000668077279 540564137 /nfs/dbraw/zinc/56/41/37/540564137.db2.gz KBOMJCRLOVXFGH-GASCZTMLSA-N 2 1 269.392 2.470 20 0 CEADMP Cc1ccc2cc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)[nH]c2c1 ZINC000668077279 540564139 /nfs/dbraw/zinc/56/41/39/540564139.db2.gz KBOMJCRLOVXFGH-GASCZTMLSA-N 2 1 269.392 2.470 20 0 CEADMP Cc1ccc2cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)[nH]c2c1 ZINC000668077279 540564140 /nfs/dbraw/zinc/56/41/40/540564140.db2.gz KBOMJCRLOVXFGH-GASCZTMLSA-N 2 1 269.392 2.470 20 0 CEADMP COCc1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)o1 ZINC000297387669 200172415 /nfs/dbraw/zinc/17/24/15/200172415.db2.gz BDBUQYRKXYGYJO-UHFFFAOYSA-N 2 1 271.320 2.364 20 0 CEADMP CCCC[NH+]1CCC(Nc2cc(C)[nH+]c(CC)n2)CC1 ZINC000341722073 216078629 /nfs/dbraw/zinc/07/86/29/216078629.db2.gz NKUAVRVSCRJTOP-UHFFFAOYSA-N 2 1 276.428 2.446 20 0 CEADMP CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)c1ccccc1 ZINC000578783623 366549034 /nfs/dbraw/zinc/54/90/34/366549034.db2.gz CJCPKTYLOUJCNM-CVEARBPZSA-N 2 1 264.413 2.430 20 0 CEADMP CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000578783623 366549040 /nfs/dbraw/zinc/54/90/40/366549040.db2.gz CJCPKTYLOUJCNM-CVEARBPZSA-N 2 1 264.413 2.430 20 0 CEADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000578995977 366577178 /nfs/dbraw/zinc/57/71/78/366577178.db2.gz FFKVVKHSPGKFQX-DAWZGUTISA-N 2 1 288.435 2.197 20 0 CEADMP CC[N@@H+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC000341774895 216099637 /nfs/dbraw/zinc/09/96/37/216099637.db2.gz RWZBXPYGKNHXDH-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC000341774895 216099639 /nfs/dbraw/zinc/09/96/39/216099639.db2.gz RWZBXPYGKNHXDH-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](O)c1cccc(F)c1 ZINC000297822595 200286217 /nfs/dbraw/zinc/28/62/17/200286217.db2.gz YZZOMBDQAXDLQS-SJCJKPOMSA-N 2 1 292.398 2.464 20 0 CEADMP COC1(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CCC1 ZINC000339023959 366618372 /nfs/dbraw/zinc/61/83/72/366618372.db2.gz VKNQLPFTIOQSAZ-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnc(C)nc2C)C1 ZINC000151110132 366620783 /nfs/dbraw/zinc/62/07/83/366620783.db2.gz LLIMTFIDLUULCM-SWLSCSKDSA-N 2 1 276.428 2.476 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnc(C)nc2C)C1 ZINC000151110132 366620789 /nfs/dbraw/zinc/62/07/89/366620789.db2.gz LLIMTFIDLUULCM-SWLSCSKDSA-N 2 1 276.428 2.476 20 0 CEADMP COc1cccc2c1CCC[C@H]2[NH2+][C@@H](C[NH3+])C1CC1 ZINC000579341906 366628768 /nfs/dbraw/zinc/62/87/68/366628768.db2.gz DUUXFUZQKSBUSC-CABCVRRESA-N 2 1 260.381 2.400 20 0 CEADMP CC[C@@H](C[NH2+][C@H](C)C1CCOCC1)[NH+]1CCCC1 ZINC000151719737 366660648 /nfs/dbraw/zinc/66/06/48/366660648.db2.gz JONSIWHEIDDOQL-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)OC(C)(C)C)C1 ZINC000081569944 363730050 /nfs/dbraw/zinc/73/00/50/363730050.db2.gz LNNRREQQPXXOFY-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)OC(C)(C)C)C1 ZINC000081569944 363730051 /nfs/dbraw/zinc/73/00/51/363730051.db2.gz LNNRREQQPXXOFY-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)OC(C)(C)C)C1 ZINC000081569944 363730053 /nfs/dbraw/zinc/73/00/53/363730053.db2.gz LNNRREQQPXXOFY-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)OC(C)(C)C)C1 ZINC000081569944 363730055 /nfs/dbraw/zinc/73/00/55/363730055.db2.gz LNNRREQQPXXOFY-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000674300212 540741066 /nfs/dbraw/zinc/74/10/66/540741066.db2.gz AIRBJTKZPXMTAH-OAHLLOKOSA-N 2 1 254.418 2.218 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)c(C)c1OC ZINC000342030614 216192652 /nfs/dbraw/zinc/19/26/52/216192652.db2.gz BUSQMCKFOYGDFX-LBPRGKRZSA-N 2 1 280.412 2.442 20 0 CEADMP C[C@@H](O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000178543646 189125542 /nfs/dbraw/zinc/12/55/42/189125542.db2.gz DWJMFCIQRDHRAH-XJKCOSOUSA-N 2 1 262.397 2.312 20 0 CEADMP Cc1cc[nH+]c(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000675285493 540822478 /nfs/dbraw/zinc/82/24/78/540822478.db2.gz VQUXSKSMNVEGTJ-OAHLLOKOSA-N 2 1 275.396 2.445 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC000037874327 299314757 /nfs/dbraw/zinc/31/47/57/299314757.db2.gz CPUYXCKQJJZASO-QMCVRULOSA-N 2 1 280.456 2.103 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000179596276 189205864 /nfs/dbraw/zinc/20/58/64/189205864.db2.gz COVVDLRZNBJWGK-FZMZJTMJSA-N 2 1 266.360 2.407 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000179596276 189205865 /nfs/dbraw/zinc/20/58/65/189205865.db2.gz COVVDLRZNBJWGK-FZMZJTMJSA-N 2 1 266.360 2.407 20 0 CEADMP C[N@H+](Cc1cnnn1-c1ccccc1)CC1CC[NH+](C)CC1 ZINC000676137621 540900654 /nfs/dbraw/zinc/90/06/54/540900654.db2.gz ITJRYJRZZAZUCU-UHFFFAOYSA-N 2 1 299.422 2.041 20 0 CEADMP c1ccc2c(c1)CN(CC[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000677237597 540995832 /nfs/dbraw/zinc/99/58/32/540995832.db2.gz KCUMEBKXZKGQGR-MSOLQXFVSA-N 2 1 285.435 2.219 20 0 CEADMP C[NH+](C)[C@H](C(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000152108113 366688482 /nfs/dbraw/zinc/68/84/82/366688482.db2.gz LSMDISADOGNOGK-SJORKVTESA-N 2 1 297.402 2.106 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000579721739 366691770 /nfs/dbraw/zinc/69/17/70/366691770.db2.gz BSZIGLGFDFNNAU-KRWDZBQOSA-N 2 1 278.440 2.386 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000579721739 366691772 /nfs/dbraw/zinc/69/17/72/366691772.db2.gz BSZIGLGFDFNNAU-KRWDZBQOSA-N 2 1 278.440 2.386 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000677819230 541046106 /nfs/dbraw/zinc/04/61/06/541046106.db2.gz UYEFYPSCDNXQMN-UHFFFAOYSA-N 2 1 285.391 2.388 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000677819230 541046108 /nfs/dbraw/zinc/04/61/08/541046108.db2.gz UYEFYPSCDNXQMN-UHFFFAOYSA-N 2 1 285.391 2.388 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000677818298 541046461 /nfs/dbraw/zinc/04/64/61/541046461.db2.gz YMMRTONWMXDVFK-OAHLLOKOSA-N 2 1 273.384 2.115 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000677818298 541046462 /nfs/dbraw/zinc/04/64/62/541046462.db2.gz YMMRTONWMXDVFK-OAHLLOKOSA-N 2 1 273.384 2.115 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCC(C)(C)CC2)C1 ZINC000579734191 366695750 /nfs/dbraw/zinc/69/57/50/366695750.db2.gz UIUPALCFQIEKPY-DZGCQCFKSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCC(C)(C)CC2)C1 ZINC000579734191 366695757 /nfs/dbraw/zinc/69/57/57/366695757.db2.gz UIUPALCFQIEKPY-DZGCQCFKSA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@](C)(C[NH2+]CCCCn1cc[nH+]c1C)OC ZINC000638673844 370676851 /nfs/dbraw/zinc/67/68/51/370676851.db2.gz ADWMMYNZQZQBDT-CQSZACIVSA-N 2 1 253.390 2.376 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000571697266 299324267 /nfs/dbraw/zinc/32/42/67/299324267.db2.gz FVGSPMMXGVDHHA-JQHSSLGASA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000571697266 299324270 /nfs/dbraw/zinc/32/42/70/299324270.db2.gz FVGSPMMXGVDHHA-JQHSSLGASA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000571697266 299324275 /nfs/dbraw/zinc/32/42/75/299324275.db2.gz FVGSPMMXGVDHHA-JQHSSLGASA-N 2 1 290.451 2.252 20 0 CEADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000237021374 370679411 /nfs/dbraw/zinc/67/94/11/370679411.db2.gz FKMJHZTVHKVRJN-ZNMIVQPWSA-N 2 1 297.487 2.377 20 0 CEADMP CO[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCOCC1 ZINC000638699421 370695109 /nfs/dbraw/zinc/69/51/09/370695109.db2.gz AIMVGQMCCRJVHQ-NPYXIHBLSA-N 2 1 296.455 2.033 20 0 CEADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000182259659 189318268 /nfs/dbraw/zinc/31/82/68/189318268.db2.gz GLNRUXOJMHGCTM-DYVFJYSZSA-N 2 1 274.408 2.141 20 0 CEADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154254932 366763577 /nfs/dbraw/zinc/76/35/77/366763577.db2.gz PDGWCRZAIHRRTB-WDEREUQCSA-N 2 1 290.860 2.235 20 0 CEADMP C[N@@H+](CCCn1ccnc1)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000580205186 366765440 /nfs/dbraw/zinc/76/54/40/366765440.db2.gz VKLUPECSXQDTGF-HNNXBMFYSA-N 2 1 290.386 2.087 20 0 CEADMP CC1(C)CC[N@@H+](CC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000581557065 366795125 /nfs/dbraw/zinc/79/51/25/366795125.db2.gz ABZBSLYXBILRRX-UHFFFAOYSA-N 2 1 295.471 2.101 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000340227507 366808059 /nfs/dbraw/zinc/80/80/59/366808059.db2.gz ABIUNWNREQBNAX-IPYPFGDCSA-N 2 1 265.401 2.375 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)NCc1ncc(C[NH+](C)C)s1 ZINC000342424210 216348595 /nfs/dbraw/zinc/34/85/95/216348595.db2.gz FVHBSKFNTRKWHH-CYBMUJFWSA-N 2 1 298.500 2.415 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NCc1ncc(C[NH+](C)C)s1 ZINC000342424210 216348596 /nfs/dbraw/zinc/34/85/96/216348596.db2.gz FVHBSKFNTRKWHH-CYBMUJFWSA-N 2 1 298.500 2.415 20 0 CEADMP COc1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1O ZINC000678588367 541154056 /nfs/dbraw/zinc/15/40/56/541154056.db2.gz YERLILUYDXHVLA-CABCVRRESA-N 2 1 290.407 2.160 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc[nH+]cc1C(N)=O ZINC000302155064 201370605 /nfs/dbraw/zinc/37/06/05/201370605.db2.gz NBFWSAHHXNRNQJ-CYBMUJFWSA-N 2 1 298.390 2.113 20 0 CEADMP C[C@@H](CCCCO)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000679338079 541259443 /nfs/dbraw/zinc/25/94/43/541259443.db2.gz BPMWCGGOYKWPOB-ILXRZTDVSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@@H](CCCCO)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000679338079 541259446 /nfs/dbraw/zinc/25/94/46/541259446.db2.gz BPMWCGGOYKWPOB-ILXRZTDVSA-N 2 1 256.434 2.248 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC000085166791 363832418 /nfs/dbraw/zinc/83/24/18/363832418.db2.gz IWOSFGHOAUGWFK-UHFFFAOYSA-N 2 1 264.417 2.286 20 0 CEADMP C[C@H](CCCCO)[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000679341545 541260380 /nfs/dbraw/zinc/26/03/80/541260380.db2.gz MSUAFHPIGNXNCE-KFWWJZLASA-N 2 1 256.434 2.390 20 0 CEADMP C[C@H](CCCCO)[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000679341545 541260384 /nfs/dbraw/zinc/26/03/84/541260384.db2.gz MSUAFHPIGNXNCE-KFWWJZLASA-N 2 1 256.434 2.390 20 0 CEADMP C[C@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCOC1 ZINC000679573661 541292386 /nfs/dbraw/zinc/29/23/86/541292386.db2.gz BOCNUPMPGULIEW-FZKCQIBNSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCOC1 ZINC000679573661 541292390 /nfs/dbraw/zinc/29/23/90/541292390.db2.gz BOCNUPMPGULIEW-FZKCQIBNSA-N 2 1 268.445 2.369 20 0 CEADMP C[N@@H+](CCCN[C@@H]1CCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000089147422 363936568 /nfs/dbraw/zinc/93/65/68/363936568.db2.gz BJUOGDZHHRHJCY-IAGOWNOFSA-N 2 1 275.440 2.226 20 0 CEADMP C[N@H+](CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000089147422 363936572 /nfs/dbraw/zinc/93/65/72/363936572.db2.gz BJUOGDZHHRHJCY-IAGOWNOFSA-N 3 1 275.440 2.226 20 0 CEADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000089147422 363936579 /nfs/dbraw/zinc/93/65/79/363936579.db2.gz BJUOGDZHHRHJCY-IAGOWNOFSA-N 3 1 275.440 2.226 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](OC(F)F)C1 ZINC000679678384 541307406 /nfs/dbraw/zinc/30/74/06/541307406.db2.gz AKWSXHCAHNYOTR-VXGBXAGGSA-N 2 1 262.344 2.174 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](OC(F)F)C1 ZINC000679678384 541307409 /nfs/dbraw/zinc/30/74/09/541307409.db2.gz AKWSXHCAHNYOTR-VXGBXAGGSA-N 2 1 262.344 2.174 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679678384 541307412 /nfs/dbraw/zinc/30/74/12/541307412.db2.gz AKWSXHCAHNYOTR-VXGBXAGGSA-N 2 1 262.344 2.174 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679678384 541307417 /nfs/dbraw/zinc/30/74/17/541307417.db2.gz AKWSXHCAHNYOTR-VXGBXAGGSA-N 2 1 262.344 2.174 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000089427698 363965180 /nfs/dbraw/zinc/96/51/80/363965180.db2.gz WKJHJDRCPAEWLE-KGLIPLIRSA-N 2 1 297.443 2.070 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000089427698 363965183 /nfs/dbraw/zinc/96/51/83/363965183.db2.gz WKJHJDRCPAEWLE-KGLIPLIRSA-N 2 1 297.443 2.070 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000089427698 363965185 /nfs/dbraw/zinc/96/51/85/363965185.db2.gz WKJHJDRCPAEWLE-KGLIPLIRSA-N 2 1 297.443 2.070 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000089427698 363965187 /nfs/dbraw/zinc/96/51/87/363965187.db2.gz WKJHJDRCPAEWLE-KGLIPLIRSA-N 2 1 297.443 2.070 20 0 CEADMP CCn1cncc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000090169754 364044668 /nfs/dbraw/zinc/04/46/68/364044668.db2.gz CIKNBOWJJVNENH-AWEZNQCLSA-N 2 1 264.417 2.257 20 0 CEADMP CCn1cncc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000090169754 364044672 /nfs/dbraw/zinc/04/46/72/364044672.db2.gz CIKNBOWJJVNENH-AWEZNQCLSA-N 2 1 264.417 2.257 20 0 CEADMP CC(C)n1cncc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000090208503 364048711 /nfs/dbraw/zinc/04/87/11/364048711.db2.gz SIYCMTSBSZKDON-ZDUSSCGKSA-N 2 1 262.401 2.038 20 0 CEADMP CC(C)n1cncc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000090208503 364048716 /nfs/dbraw/zinc/04/87/16/364048716.db2.gz SIYCMTSBSZKDON-ZDUSSCGKSA-N 2 1 262.401 2.038 20 0 CEADMP Cc1nccn1CC[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000334656162 364140507 /nfs/dbraw/zinc/14/05/07/364140507.db2.gz VSWOHTXHWMZXSP-AWEZNQCLSA-N 2 1 265.426 2.411 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(O)c1 ZINC000237550177 370732480 /nfs/dbraw/zinc/73/24/80/370732480.db2.gz XNOTXLHNHXSPPR-GFCCVEGCSA-N 2 1 259.353 2.323 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(F)(F)F)CC[C@H]21 ZINC000334694496 364192475 /nfs/dbraw/zinc/19/24/75/364192475.db2.gz IXOBWPUODZPEPA-GHMZBOCLSA-N 2 1 250.308 2.355 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(F)(F)F)CC[C@H]21 ZINC000334694496 364192480 /nfs/dbraw/zinc/19/24/80/364192480.db2.gz IXOBWPUODZPEPA-GHMZBOCLSA-N 2 1 250.308 2.355 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(F)(F)F)CC[C@H]21 ZINC000334694496 364192483 /nfs/dbraw/zinc/19/24/83/364192483.db2.gz IXOBWPUODZPEPA-GHMZBOCLSA-N 2 1 250.308 2.355 20 0 CEADMP C[C@H](CC(=O)NCC[N@H+]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000237627521 370740142 /nfs/dbraw/zinc/74/01/42/370740142.db2.gz SCVFSPLDKXLPNZ-CABCVRRESA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)CC[N@@H+]1C ZINC000093644836 364207101 /nfs/dbraw/zinc/20/71/01/364207101.db2.gz WVAWWXBXGHANPJ-WMLDXEAASA-N 2 1 299.422 2.182 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)CC[N@H+]1C ZINC000093644836 364207103 /nfs/dbraw/zinc/20/71/03/364207103.db2.gz WVAWWXBXGHANPJ-WMLDXEAASA-N 2 1 299.422 2.182 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cncn3)cc2)CC[NH+]1C ZINC000093644836 364207105 /nfs/dbraw/zinc/20/71/05/364207105.db2.gz WVAWWXBXGHANPJ-WMLDXEAASA-N 2 1 299.422 2.182 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cncn3)cc2)CC[NH+]1C ZINC000093644836 364207106 /nfs/dbraw/zinc/20/71/06/364207106.db2.gz WVAWWXBXGHANPJ-WMLDXEAASA-N 2 1 299.422 2.182 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C2([NH3+])CCCCC2)C1 ZINC000237720896 370747739 /nfs/dbraw/zinc/74/77/39/370747739.db2.gz XIUNDPLWVBFBHL-HNNXBMFYSA-N 2 1 295.471 2.276 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000094423804 364274198 /nfs/dbraw/zinc/27/41/98/364274198.db2.gz QVNVLKKSRWPERT-QWHCGFSZSA-N 2 1 254.418 2.264 20 0 CEADMP CO[C@@H](C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)C1CC1 ZINC000572030665 299341641 /nfs/dbraw/zinc/34/16/41/299341641.db2.gz KLPALXSLTPGVBG-INIZCTEOSA-N 2 1 268.445 2.464 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000094342156 364269465 /nfs/dbraw/zinc/26/94/65/364269465.db2.gz AITPULRQOCBYIW-OCCSQVGLSA-N 2 1 278.396 2.181 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000094342156 364269472 /nfs/dbraw/zinc/26/94/72/364269472.db2.gz AITPULRQOCBYIW-OCCSQVGLSA-N 2 1 278.396 2.181 20 0 CEADMP Cc1[nH+]ccc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)c1Cl ZINC000334799224 364269728 /nfs/dbraw/zinc/26/97/28/364269728.db2.gz LOPHZXPHYKNRAN-PWSUYJOCSA-N 2 1 251.761 2.184 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000356592834 370766781 /nfs/dbraw/zinc/76/67/81/370766781.db2.gz FNBLIBQYPTUMGL-HNNXBMFYSA-N 2 1 297.487 2.343 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)n1 ZINC000334995001 364324696 /nfs/dbraw/zinc/32/46/96/364324696.db2.gz CCXZCQXPNFPYGK-GASCZTMLSA-N 2 1 259.397 2.130 20 0 CEADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000679997807 541351575 /nfs/dbraw/zinc/35/15/75/541351575.db2.gz WONDOJLHSCAOHN-LSDHHAIUSA-N 2 1 284.469 2.115 20 0 CEADMP [NH3+]C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCCC1 ZINC000335056150 364409632 /nfs/dbraw/zinc/40/96/32/364409632.db2.gz CDYICOKGMWSNNV-CABCVRRESA-N 2 1 265.445 2.255 20 0 CEADMP C[C@H]1C[C@@H](NCC2([NH3+])CCCCCC2)CC[N@H+]1C ZINC000335056200 364411273 /nfs/dbraw/zinc/41/12/73/364411273.db2.gz DFYKWQGKOSUCKO-KBPBESRZSA-N 2 1 253.434 2.110 20 0 CEADMP [NH3+]C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCCC1 ZINC000335056153 364411336 /nfs/dbraw/zinc/41/13/36/364411336.db2.gz CDYICOKGMWSNNV-LSDHHAIUSA-N 2 1 265.445 2.255 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000582058378 366854918 /nfs/dbraw/zinc/85/49/18/366854918.db2.gz YSXBMJPZACLVJQ-NVXWUHKLSA-N 2 1 294.414 2.051 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cnc(N(C)C)n2C)[C@H]1C ZINC000335145514 364538441 /nfs/dbraw/zinc/53/84/41/364538441.db2.gz AGWWXINPARKCPF-NEPJUHHUSA-N 2 1 250.390 2.107 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccccn1 ZINC000680109828 541367725 /nfs/dbraw/zinc/36/77/25/541367725.db2.gz PBGQQUGOWPXGFS-UHFFFAOYSA-N 2 1 279.347 2.261 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000335641428 212358175 /nfs/dbraw/zinc/35/81/75/212358175.db2.gz DWTRSMVXMNPAPQ-KZYLPZIUSA-N 2 1 279.472 2.371 20 0 CEADMP Cc1cnccc1CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000335473791 364781602 /nfs/dbraw/zinc/78/16/02/364781602.db2.gz FIFYCWGJORJRCD-UHFFFAOYSA-N 2 1 273.424 2.493 20 0 CEADMP Cc1cnccc1CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000335473791 364781606 /nfs/dbraw/zinc/78/16/06/364781606.db2.gz FIFYCWGJORJRCD-UHFFFAOYSA-N 2 1 273.424 2.493 20 0 CEADMP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C)c(C[NH+](C)C)c1 ZINC000114076606 364925438 /nfs/dbraw/zinc/92/54/38/364925438.db2.gz DFSNXXFOUHVWPU-HNNXBMFYSA-N 2 1 275.396 2.089 20 0 CEADMP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C)c(C[NH+](C)C)c1 ZINC000114076606 364925448 /nfs/dbraw/zinc/92/54/48/364925448.db2.gz DFSNXXFOUHVWPU-HNNXBMFYSA-N 2 1 275.396 2.089 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000114478700 364946851 /nfs/dbraw/zinc/94/68/51/364946851.db2.gz ZDQKUOVEAHIGBI-CQSZACIVSA-N 2 1 260.381 2.005 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000114478700 364946855 /nfs/dbraw/zinc/94/68/55/364946855.db2.gz ZDQKUOVEAHIGBI-CQSZACIVSA-N 2 1 260.381 2.005 20 0 CEADMP COc1cccc2c1CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000336055031 365347369 /nfs/dbraw/zinc/34/73/69/365347369.db2.gz WHLGTNXFKLSILN-ZDUSSCGKSA-N 2 1 260.381 2.053 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000336055031 365347374 /nfs/dbraw/zinc/34/73/74/365347374.db2.gz WHLGTNXFKLSILN-ZDUSSCGKSA-N 2 1 260.381 2.053 20 0 CEADMP CC[NH+](CC)CCN1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119993324 365357665 /nfs/dbraw/zinc/35/76/65/365357665.db2.gz WBXAWRZPROESSV-OAHLLOKOSA-N 2 1 278.444 2.016 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(N(C)C)c2)CC[N@H+]1C ZINC000119844146 365333987 /nfs/dbraw/zinc/33/39/87/365333987.db2.gz WKNSAOGPPSNGSK-DZGCQCFKSA-N 2 1 261.413 2.325 20 0 CEADMP C[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C(F)(F)F ZINC000336125092 365444073 /nfs/dbraw/zinc/44/40/73/365444073.db2.gz ZYABRHVRDFYJFE-WDEREUQCSA-N 2 1 250.308 2.212 20 0 CEADMP C[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C(F)(F)F ZINC000336125092 365444077 /nfs/dbraw/zinc/44/40/77/365444077.db2.gz ZYABRHVRDFYJFE-WDEREUQCSA-N 2 1 250.308 2.212 20 0 CEADMP C[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)C(F)(F)F ZINC000336125092 365444082 /nfs/dbraw/zinc/44/40/82/365444082.db2.gz ZYABRHVRDFYJFE-WDEREUQCSA-N 2 1 250.308 2.212 20 0 CEADMP C[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)C(F)(F)F ZINC000336125092 365444088 /nfs/dbraw/zinc/44/40/88/365444088.db2.gz ZYABRHVRDFYJFE-WDEREUQCSA-N 2 1 250.308 2.212 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)o1 ZINC000336155949 365487512 /nfs/dbraw/zinc/48/75/12/365487512.db2.gz QSMWOFABJFVPTR-MFKMUULPSA-N 2 1 274.368 2.147 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)o1 ZINC000336155949 365487518 /nfs/dbraw/zinc/48/75/18/365487518.db2.gz QSMWOFABJFVPTR-MFKMUULPSA-N 2 1 274.368 2.147 20 0 CEADMP c1cc([C@@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)ccn1 ZINC000582554480 366927387 /nfs/dbraw/zinc/92/73/87/366927387.db2.gz OADFBQPTOCWTLA-MRXNPFEDSA-N 2 1 259.397 2.357 20 0 CEADMP CC(=O)N1CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c2ccccc21 ZINC000681090743 541502896 /nfs/dbraw/zinc/50/28/96/541502896.db2.gz QDNVXBNLMJMVLA-CJNGLKHVSA-N 2 1 289.423 2.414 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cncc(Br)c1 ZINC000160568506 367017761 /nfs/dbraw/zinc/01/77/61/367017761.db2.gz YPILCDDLMWIWLA-JTQLQIEISA-N 2 1 286.217 2.274 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1ccnc1 ZINC000583386244 367040766 /nfs/dbraw/zinc/04/07/66/367040766.db2.gz NESFBLLPKLWPEN-UONOGXRCSA-N 2 1 280.416 2.071 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000583740431 367089514 /nfs/dbraw/zinc/08/95/14/367089514.db2.gz GQSPGDOTPABJBS-NVXWUHKLSA-N 3 1 281.488 2.427 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cn1 ZINC000161579704 367098596 /nfs/dbraw/zinc/09/85/96/367098596.db2.gz WTBIPVIWRVZNLS-DUVNUKRYSA-N 2 1 261.413 2.251 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccncc2)[C@@H](C)C1 ZINC000245440580 370819817 /nfs/dbraw/zinc/81/98/17/370819817.db2.gz USMNFUAPRKSVCX-HOCLYGCPSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccncc2)[C@@H](C)C1 ZINC000245440580 370819823 /nfs/dbraw/zinc/81/98/23/370819823.db2.gz USMNFUAPRKSVCX-HOCLYGCPSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccncc2)[C@@H](C)C1 ZINC000245440580 370819827 /nfs/dbraw/zinc/81/98/27/370819827.db2.gz USMNFUAPRKSVCX-HOCLYGCPSA-N 2 1 261.413 2.286 20 0 CEADMP C[C@@H](CC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)n1ccnc1 ZINC000584355064 367149425 /nfs/dbraw/zinc/14/94/25/367149425.db2.gz JLLRRMNNSGLECU-ZNMIVQPWSA-N 2 1 292.427 2.213 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C[C@H]1C ZINC000357578956 370823088 /nfs/dbraw/zinc/82/30/88/370823088.db2.gz GFBILZGQQFYOMV-HZSPNIEDSA-N 2 1 283.460 2.094 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000245705657 370860008 /nfs/dbraw/zinc/86/00/08/370860008.db2.gz YMWYIPFWUNAURR-DZGCQCFKSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000245705657 370860011 /nfs/dbraw/zinc/86/00/11/370860011.db2.gz YMWYIPFWUNAURR-DZGCQCFKSA-N 2 1 265.401 2.207 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245590566 370844489 /nfs/dbraw/zinc/84/44/89/370844489.db2.gz KOSNQGQRDRJEQZ-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245590566 370844491 /nfs/dbraw/zinc/84/44/91/370844491.db2.gz KOSNQGQRDRJEQZ-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245590566 370844494 /nfs/dbraw/zinc/84/44/94/370844494.db2.gz KOSNQGQRDRJEQZ-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000164074939 367275982 /nfs/dbraw/zinc/27/59/82/367275982.db2.gz QKQHFGPJUVMHQL-STQMWFEESA-N 2 1 299.459 2.362 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000163240045 367225397 /nfs/dbraw/zinc/22/53/97/367225397.db2.gz ZNCLJZMACRLNEU-RYUDHWBXSA-N 2 1 268.788 2.388 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000163278209 367228455 /nfs/dbraw/zinc/22/84/55/367228455.db2.gz PWIHGGBSARBLTP-LRDNONRASA-N 2 1 294.464 2.416 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC000163380602 367236471 /nfs/dbraw/zinc/23/64/71/367236471.db2.gz LUWYOJPCMONBQX-SWLSCSKDSA-N 2 1 262.397 2.420 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000164708648 367294154 /nfs/dbraw/zinc/29/41/54/367294154.db2.gz JYXQLOCJMIQZLI-HNNXBMFYSA-N 2 1 287.411 2.372 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2ncccc21 ZINC000631578191 367414326 /nfs/dbraw/zinc/41/43/26/367414326.db2.gz XFBKEHYFUXDCJF-HNNXBMFYSA-N 2 1 256.353 2.254 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000631756033 367525701 /nfs/dbraw/zinc/52/57/01/367525701.db2.gz IBBMDKJPVNPVAP-GHMZBOCLSA-N 2 1 250.308 2.401 20 0 CEADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@@H]1CCCCO1 ZINC000631826881 367566214 /nfs/dbraw/zinc/56/62/14/367566214.db2.gz YZFMKSNLLLGWLQ-HNNXBMFYSA-N 2 1 254.418 2.397 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000631829025 367567200 /nfs/dbraw/zinc/56/72/00/367567200.db2.gz DQZCGWKMEDRFPV-NUEKZKHPSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H]1OCC[C@H]1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000631825280 367562779 /nfs/dbraw/zinc/56/27/79/367562779.db2.gz DOIQXYNKLAGPOG-ZBFHGGJFSA-N 2 1 262.397 2.262 20 0 CEADMP CSc1ccccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837349 367577476 /nfs/dbraw/zinc/57/74/76/367577476.db2.gz AQPBPKZPXIUHOJ-WCQYABFASA-N 2 1 250.411 2.435 20 0 CEADMP CCC[NH+](CCC)CCCN[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000342862989 367578326 /nfs/dbraw/zinc/57/83/26/367578326.db2.gz VCBVTBQGECDQLL-HUUCEWRRSA-N 2 1 255.450 2.038 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631842902 367582823 /nfs/dbraw/zinc/58/28/23/367582823.db2.gz HEUCPXNIENTIGG-HUUCEWRRSA-N 2 1 262.397 2.209 20 0 CEADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844601 367586083 /nfs/dbraw/zinc/58/60/83/367586083.db2.gz YUNJFYVPIIPUQZ-GRYCIOLGSA-N 2 1 295.814 2.194 20 0 CEADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844601 367586087 /nfs/dbraw/zinc/58/60/87/367586087.db2.gz YUNJFYVPIIPUQZ-GRYCIOLGSA-N 2 1 295.814 2.194 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)C1CCCC1 ZINC000631891221 367612144 /nfs/dbraw/zinc/61/21/44/367612144.db2.gz XBLJQEJXNHSAGE-ARFHVFGLSA-N 2 1 266.429 2.266 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890309 367612776 /nfs/dbraw/zinc/61/27/76/367612776.db2.gz OPYSBQYCOPZJMP-GOEBONIOSA-N 2 1 260.381 2.269 20 0 CEADMP CCO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C(C)C ZINC000343249831 367724870 /nfs/dbraw/zinc/72/48/70/367724870.db2.gz FNUYBNNBSHDCIN-VVLHAWIVSA-N 2 1 298.471 2.184 20 0 CEADMP COc1cc2c(cc1CN[C@@H]1C[N@@H+](C)C[C@H]1C)O[C@H](C)C2 ZINC000343265910 367733329 /nfs/dbraw/zinc/73/33/29/367733329.db2.gz PCLMDAFPOBECPD-LALPHHSUSA-N 2 1 290.407 2.058 20 0 CEADMP CC[NH+](CC)[C@H](CN[C@@H]1C[N@@H+](C)C[C@@H]1C)CC(C)C ZINC000343267901 367734335 /nfs/dbraw/zinc/73/43/35/367734335.db2.gz HLKXFSZVGWTAGG-HRCADAONSA-N 2 1 269.477 2.283 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1nccs1 ZINC000358032915 370876821 /nfs/dbraw/zinc/87/68/21/370876821.db2.gz DECBDTDYYRBYSS-FRRDWIJNSA-N 2 1 267.442 2.394 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000343511047 367852776 /nfs/dbraw/zinc/85/27/76/367852776.db2.gz WCPGQOYSJVKIFY-FXUDXRNXSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000343511047 367852784 /nfs/dbraw/zinc/85/27/84/367852784.db2.gz WCPGQOYSJVKIFY-FXUDXRNXSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000343511047 367852792 /nfs/dbraw/zinc/85/27/92/367852792.db2.gz WCPGQOYSJVKIFY-FXUDXRNXSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000343511047 367852799 /nfs/dbraw/zinc/85/27/99/367852799.db2.gz WCPGQOYSJVKIFY-FXUDXRNXSA-N 2 1 267.461 2.037 20 0 CEADMP CCCC[C@H](C)[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000343504926 367849893 /nfs/dbraw/zinc/84/98/93/367849893.db2.gz CXFODYZONZOXCI-ARFHVFGLSA-N 2 1 297.487 2.378 20 0 CEADMP COC1(C[N@@H+](C)CCC[NH+]2CCCC2)CCCC1 ZINC000343626999 367926497 /nfs/dbraw/zinc/92/64/97/367926497.db2.gz UNKWBRCWZODUTO-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000343556283 367881997 /nfs/dbraw/zinc/88/19/97/367881997.db2.gz SBAQWUCIUPRWPE-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+](C)C[C@H]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000173907110 367956843 /nfs/dbraw/zinc/95/68/43/367956843.db2.gz RRTLRAFLYGPWRA-OAHLLOKOSA-N 2 1 291.439 2.481 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000173907110 367956849 /nfs/dbraw/zinc/95/68/49/367956849.db2.gz RRTLRAFLYGPWRA-OAHLLOKOSA-N 2 1 291.439 2.481 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000343942952 368083684 /nfs/dbraw/zinc/08/36/84/368083684.db2.gz VEBXGZHAFQYZSA-ARFHVFGLSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343942952 368083689 /nfs/dbraw/zinc/08/36/89/368083689.db2.gz VEBXGZHAFQYZSA-ARFHVFGLSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000343942952 368083692 /nfs/dbraw/zinc/08/36/92/368083692.db2.gz VEBXGZHAFQYZSA-ARFHVFGLSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1SCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000682160254 541639504 /nfs/dbraw/zinc/63/95/04/541639504.db2.gz VCHQKLDHNHAIES-AEGPPILISA-N 2 1 284.469 2.113 20 0 CEADMP CO[C@]1(C)C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C1(C)C ZINC000178976822 368318232 /nfs/dbraw/zinc/31/82/32/368318232.db2.gz DCGNTYCKRJBEGY-UKRRQHHQSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CCSC[C@H]1C ZINC000179249746 368329329 /nfs/dbraw/zinc/32/93/29/368329329.db2.gz OSSVPYKTGVYXMT-GFCCVEGCSA-N 2 1 253.415 2.409 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCSC[C@H]1C ZINC000179249746 368329335 /nfs/dbraw/zinc/32/93/35/368329335.db2.gz OSSVPYKTGVYXMT-GFCCVEGCSA-N 2 1 253.415 2.409 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCSC[C@H]1C ZINC000179249746 368329339 /nfs/dbraw/zinc/32/93/39/368329339.db2.gz OSSVPYKTGVYXMT-GFCCVEGCSA-N 2 1 253.415 2.409 20 0 CEADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000345700352 368377799 /nfs/dbraw/zinc/37/77/99/368377799.db2.gz XETKAPGEDPPLBN-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)CCOC)C12CCCC2 ZINC000181488414 368461509 /nfs/dbraw/zinc/46/15/09/368461509.db2.gz ACGNERSKKCKBTA-JKSUJKDBSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000358087089 370898971 /nfs/dbraw/zinc/89/89/71/370898971.db2.gz PLLMIVAEBVQARK-SMDDNHRTSA-N 2 1 284.350 2.273 20 0 CEADMP C[C@H]1C[C@@H](N(CCC[NH3+])c2cccc(F)c2)CC[N@H+]1C ZINC000639037217 370916514 /nfs/dbraw/zinc/91/65/14/370916514.db2.gz GUADMAKWEHVZKG-BBRMVZONSA-N 2 1 279.403 2.464 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](O)Cc1ccccc1 ZINC000246280361 370941086 /nfs/dbraw/zinc/94/10/86/370941086.db2.gz BMSBAXUWGUOEEY-DIECFANBSA-N 2 1 276.424 2.051 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](O)Cc1ccccc1 ZINC000246280361 370941090 /nfs/dbraw/zinc/94/10/90/370941090.db2.gz BMSBAXUWGUOEEY-DIECFANBSA-N 2 1 276.424 2.051 20 0 CEADMP Cc1cccn2c(C[N@@H+](C)CC(C)(C)C[NH3+])cnc12 ZINC000346685488 368769120 /nfs/dbraw/zinc/76/91/20/368769120.db2.gz SLMHKBKELRVBDP-UHFFFAOYSA-N 2 1 260.385 2.059 20 0 CEADMP Cc1cccn2c(C[N@H+](C)CC(C)(C)C[NH3+])cnc12 ZINC000346685488 368769122 /nfs/dbraw/zinc/76/91/22/368769122.db2.gz SLMHKBKELRVBDP-UHFFFAOYSA-N 2 1 260.385 2.059 20 0 CEADMP Cn1cncc1CNC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000185221448 368770449 /nfs/dbraw/zinc/77/04/49/368770449.db2.gz WONVDJYNAYZPRP-SFHVURJKSA-N 2 1 298.434 2.420 20 0 CEADMP Cn1cncc1CNC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000185221448 368770454 /nfs/dbraw/zinc/77/04/54/368770454.db2.gz WONVDJYNAYZPRP-SFHVURJKSA-N 2 1 298.434 2.420 20 0 CEADMP Cc1cc(C)n2c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cnc2n1 ZINC000346693175 368776316 /nfs/dbraw/zinc/77/63/16/368776316.db2.gz LEIAXOCXFITAHJ-OAHLLOKOSA-N 2 1 289.427 2.151 20 0 CEADMP Cc1cc(C)n2c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cnc2n1 ZINC000346693175 368776321 /nfs/dbraw/zinc/77/63/21/368776321.db2.gz LEIAXOCXFITAHJ-OAHLLOKOSA-N 2 1 289.427 2.151 20 0 CEADMP Cc1ccc2ncc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)n2c1 ZINC000346650463 368751627 /nfs/dbraw/zinc/75/16/27/368751627.db2.gz CIRLOBOEIMTZFY-HNNXBMFYSA-N 2 1 274.412 2.448 20 0 CEADMP Cc1ccc2ncc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)n2c1 ZINC000346650463 368751636 /nfs/dbraw/zinc/75/16/36/368751636.db2.gz CIRLOBOEIMTZFY-HNNXBMFYSA-N 2 1 274.412 2.448 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000185424145 368805777 /nfs/dbraw/zinc/80/57/77/368805777.db2.gz FWVGYFFSUFUEOQ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000185565894 368824750 /nfs/dbraw/zinc/82/47/50/368824750.db2.gz YAUNLAYFALBARE-KGLIPLIRSA-N 2 1 266.360 2.494 20 0 CEADMP CC[C@H](C(=O)N[C@H]1CCC[N@H+](C(C)C)C1)[NH+](CC)CC ZINC000347928826 368827419 /nfs/dbraw/zinc/82/74/19/368827419.db2.gz JDDMLRJCIIZFAA-LSDHHAIUSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000346694472 368778043 /nfs/dbraw/zinc/77/80/43/368778043.db2.gz UMFJKQPVUWGXQE-RYUDHWBXSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000346694472 368778046 /nfs/dbraw/zinc/77/80/46/368778046.db2.gz UMFJKQPVUWGXQE-RYUDHWBXSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC[N@@H+]1C ZINC000185320988 368786755 /nfs/dbraw/zinc/78/67/55/368786755.db2.gz LGMKNCINQMMLSM-BEAPCOKYSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC[N@H+]1C ZINC000185320988 368786763 /nfs/dbraw/zinc/78/67/63/368786763.db2.gz LGMKNCINQMMLSM-BEAPCOKYSA-N 2 1 252.402 2.016 20 0 CEADMP CCC1(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCOCC1 ZINC000346830928 368790968 /nfs/dbraw/zinc/79/09/68/368790968.db2.gz PSNLVLJAQBUHBV-KKUMJFAQSA-N 2 1 266.429 2.252 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346845100 368792267 /nfs/dbraw/zinc/79/22/67/368792267.db2.gz ZDVLHONYRZKNFM-SYAUCNOPSA-N 2 1 266.429 2.108 20 0 CEADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634644424 368792981 /nfs/dbraw/zinc/79/29/81/368792981.db2.gz VCRJTGSNSOFNEP-YJBOKZPZSA-N 2 1 288.435 2.259 20 0 CEADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634644424 368792985 /nfs/dbraw/zinc/79/29/85/368792985.db2.gz VCRJTGSNSOFNEP-YJBOKZPZSA-N 2 1 288.435 2.259 20 0 CEADMP CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC)[NH+](CC)CC ZINC000346965913 368795206 /nfs/dbraw/zinc/79/52/06/368795206.db2.gz CCRZQJYGSQUONM-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000347058437 368797886 /nfs/dbraw/zinc/79/78/86/368797886.db2.gz WNUQCFFQVAWBPB-RYUDHWBXSA-N 2 1 264.417 2.266 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@]1(C)C1CCCCC1 ZINC000634652620 368798663 /nfs/dbraw/zinc/79/86/63/368798663.db2.gz VWOGCOBOBZERLJ-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@]1(C)C1CCCCC1 ZINC000634652620 368798666 /nfs/dbraw/zinc/79/86/66/368798666.db2.gz VWOGCOBOBZERLJ-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@]1(C)C1CCCCC1 ZINC000634652620 368798667 /nfs/dbraw/zinc/79/86/67/368798667.db2.gz VWOGCOBOBZERLJ-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348061782 368881226 /nfs/dbraw/zinc/88/12/26/368881226.db2.gz WUAXWMVPRGGBGH-UPJWGTAASA-N 2 1 294.361 2.418 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000348109548 368902100 /nfs/dbraw/zinc/90/21/00/368902100.db2.gz LXFRFQFACIPZBP-CVEARBPZSA-N 2 1 281.488 2.428 20 0 CEADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)CC(C)(C)O ZINC000348308609 368995180 /nfs/dbraw/zinc/99/51/80/368995180.db2.gz DSKGHBBGFLRNMW-UHFFFAOYSA-N 2 1 277.412 2.001 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC000348321028 369002248 /nfs/dbraw/zinc/00/22/48/369002248.db2.gz RCJBEBDNWNCPAA-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000635010563 369046724 /nfs/dbraw/zinc/04/67/24/369046724.db2.gz AJZYJRUVDBHEFY-RBSFLKMASA-N 2 1 266.429 2.313 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)CC[N@H+]1C ZINC000186612718 369006903 /nfs/dbraw/zinc/00/69/03/369006903.db2.gz LUPFOZOWAORGQO-XJKSGUPXSA-N 2 1 276.424 2.486 20 0 CEADMP Cn1ccnc1[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000635010157 369047271 /nfs/dbraw/zinc/04/72/71/369047271.db2.gz YXOAFJJVMWFKDM-SJORKVTESA-N 2 1 298.434 2.421 20 0 CEADMP CC[C@H]1CN(CC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000634994703 369023778 /nfs/dbraw/zinc/02/37/78/369023778.db2.gz KVPSBJWGSGSAEC-XBMUEBEBSA-N 2 1 299.462 2.335 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H](C)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000635010940 369047970 /nfs/dbraw/zinc/04/79/70/369047970.db2.gz BWEXRPWHCLZYEW-RYQLBKOJSA-N 2 1 287.451 2.299 20 0 CEADMP [NH3+][C@H]1CCCCC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000634997446 369027820 /nfs/dbraw/zinc/02/78/20/369027820.db2.gz LJFDXRDOZKGLIV-HNNXBMFYSA-N 2 1 259.397 2.358 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000634997446 369027824 /nfs/dbraw/zinc/02/78/24/369027824.db2.gz LJFDXRDOZKGLIV-HNNXBMFYSA-N 2 1 259.397 2.358 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccnn2-c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000634999079 369031603 /nfs/dbraw/zinc/03/16/03/369031603.db2.gz PTWBFWHBXDFCJC-CHWSQXEVSA-N 2 1 288.370 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000634999079 369031611 /nfs/dbraw/zinc/03/16/11/369031611.db2.gz PTWBFWHBXDFCJC-CHWSQXEVSA-N 2 1 288.370 2.038 20 0 CEADMP COc1nc2ccccc2cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999101 369031902 /nfs/dbraw/zinc/03/19/02/369031902.db2.gz PWLZKBPWARAGEY-SWLSCSKDSA-N 2 1 285.391 2.270 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1C[NH3+] ZINC000635000368 369035051 /nfs/dbraw/zinc/03/50/51/369035051.db2.gz MWSRWJXJTXQOBH-IUODEOHRSA-N 2 1 255.365 2.261 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000635003178 369038179 /nfs/dbraw/zinc/03/81/79/369038179.db2.gz GXIJQDCGRVWZOV-LAVFITLUSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635008271 369044222 /nfs/dbraw/zinc/04/42/22/369044222.db2.gz RHNINPJHRYHYLR-HFTRVMKXSA-N 2 1 287.451 2.019 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635008271 369044226 /nfs/dbraw/zinc/04/42/26/369044226.db2.gz RHNINPJHRYHYLR-HFTRVMKXSA-N 2 1 287.451 2.019 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(CO)c2ccccc2)[C@@H](C)C1 ZINC000348288786 368986771 /nfs/dbraw/zinc/98/67/71/368986771.db2.gz KAOUCIWUWBINOH-RYQLBKOJSA-N 2 1 290.451 2.257 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000635013219 369051204 /nfs/dbraw/zinc/05/12/04/369051204.db2.gz DLRHQNKEWFSQPF-KYOSRNDESA-N 2 1 282.815 2.004 20 0 CEADMP C[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000635013202 369051952 /nfs/dbraw/zinc/05/19/52/369051952.db2.gz DDXCSTCHLONMRC-LNSITVRQSA-N 2 1 282.815 2.146 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3C[NH2+]CC[C@@H]3C)C2)cc1 ZINC000635014243 369053348 /nfs/dbraw/zinc/05/33/48/369053348.db2.gz ZLKCMOJBAVLCEC-RYQLBKOJSA-N 2 1 287.451 2.157 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](CC[C@H]3CCOC3)C2)CC1 ZINC000349128880 369247659 /nfs/dbraw/zinc/24/76/59/369247659.db2.gz LJFUHNQALLWVJQ-HOCLYGCPSA-N 2 1 266.429 2.077 20 0 CEADMP CCSCCN(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000349073185 369237037 /nfs/dbraw/zinc/23/70/37/369237037.db2.gz JPVCXSGEZXTJNE-OAHLLOKOSA-N 2 1 287.517 2.087 20 0 CEADMP C[C@H](C(=O)N(CC[NH+]1CCCC1)c1ccccc1)[NH+](C)C ZINC000635596862 369238530 /nfs/dbraw/zinc/23/85/30/369238530.db2.gz VVYQPUBLUAQTOU-OAHLLOKOSA-N 2 1 289.423 2.066 20 0 CEADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C1CCOCC1 ZINC000187964611 369264519 /nfs/dbraw/zinc/26/45/19/369264519.db2.gz UJMBKOMBJVBVCU-RDJZCZTQSA-N 2 1 298.471 2.138 20 0 CEADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000349401561 369318841 /nfs/dbraw/zinc/31/88/41/369318841.db2.gz DVYJNUQXGUPCQM-WMZOPIPTSA-N 2 1 288.435 2.337 20 0 CEADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000349401561 369318842 /nfs/dbraw/zinc/31/88/42/369318842.db2.gz DVYJNUQXGUPCQM-WMZOPIPTSA-N 2 1 288.435 2.337 20 0 CEADMP CCC[N@H+](CCC[NH+](C)C)Cc1cnc2n[nH]c(C)c2c1 ZINC000349411746 369322091 /nfs/dbraw/zinc/32/20/91/369322091.db2.gz APNSDIJKBNTOOR-UHFFFAOYSA-N 2 1 289.427 2.430 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc2n[nH]c(C)c2c1 ZINC000349411746 369322095 /nfs/dbraw/zinc/32/20/95/369322095.db2.gz APNSDIJKBNTOOR-UHFFFAOYSA-N 2 1 289.427 2.430 20 0 CEADMP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000635850744 369376504 /nfs/dbraw/zinc/37/65/04/369376504.db2.gz BAGILSYFGLFBES-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358225231 370959302 /nfs/dbraw/zinc/95/93/02/370959302.db2.gz CEMCOHNVJUZFQB-JKSUJKDBSA-N 2 1 262.397 2.184 20 0 CEADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358225231 370959308 /nfs/dbraw/zinc/95/93/08/370959308.db2.gz CEMCOHNVJUZFQB-JKSUJKDBSA-N 2 1 262.397 2.184 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000358248323 370969821 /nfs/dbraw/zinc/96/98/21/370969821.db2.gz GOIHQEAYUOCQMU-KURKYZTESA-N 2 1 288.435 2.054 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000358248323 370969827 /nfs/dbraw/zinc/96/98/27/370969827.db2.gz GOIHQEAYUOCQMU-KURKYZTESA-N 2 1 288.435 2.054 20 0 CEADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000358229286 370962526 /nfs/dbraw/zinc/96/25/26/370962526.db2.gz GITGSVKOHGGICO-IAGOWNOFSA-N 2 1 292.423 2.193 20 0 CEADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000358229286 370962534 /nfs/dbraw/zinc/96/25/34/370962534.db2.gz GITGSVKOHGGICO-IAGOWNOFSA-N 2 1 292.423 2.193 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(O)ccc3C2)CC[N@@H+]1C ZINC000639104354 370981996 /nfs/dbraw/zinc/98/19/96/370981996.db2.gz BNYFEHXRYDKCOT-DAXOMENPSA-N 2 1 274.408 2.322 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(O)ccc3C2)CC[N@H+]1C ZINC000639104354 370982002 /nfs/dbraw/zinc/98/20/02/370982002.db2.gz BNYFEHXRYDKCOT-DAXOMENPSA-N 2 1 274.408 2.322 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H](C)C1CCCCC1 ZINC000358261807 370980383 /nfs/dbraw/zinc/98/03/83/370980383.db2.gz WNORDOLUIBDIRG-YCPHGPKFSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H](C)C1CCCCC1 ZINC000358261807 370980385 /nfs/dbraw/zinc/98/03/85/370980385.db2.gz WNORDOLUIBDIRG-YCPHGPKFSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ncccc1Cl ZINC000358279994 370989397 /nfs/dbraw/zinc/98/93/97/370989397.db2.gz AQLHWWXMXKKBDK-DGCLKSJQSA-N 2 1 283.803 2.044 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](CC(C)(C)O)C1CC1 ZINC000189878252 369575493 /nfs/dbraw/zinc/57/54/93/369575493.db2.gz KTNLNLCZAMBZJZ-UHFFFAOYSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](CC(C)(C)O)C1CC1 ZINC000189878252 369575497 /nfs/dbraw/zinc/57/54/97/369575497.db2.gz KTNLNLCZAMBZJZ-UHFFFAOYSA-N 2 1 265.401 2.207 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352477647 369749113 /nfs/dbraw/zinc/74/91/13/369749113.db2.gz NRRGPXIQFUBEMO-GFCCVEGCSA-N 2 1 251.374 2.249 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCO[C@H](C)C1 ZINC000352618408 369809432 /nfs/dbraw/zinc/80/94/32/369809432.db2.gz QAFCGVLUUOUWAG-QXSJWSMHSA-N 2 1 266.429 2.360 20 0 CEADMP CCC[N@H+](CC)CC[NH2+]C1CCC(C(=O)OC)CC1 ZINC000192444038 369814689 /nfs/dbraw/zinc/81/46/89/369814689.db2.gz MQXQKEYDBLCGLK-UHFFFAOYSA-N 2 1 270.417 2.040 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+]C1CCC(C(=O)OC)CC1 ZINC000192444038 369814690 /nfs/dbraw/zinc/81/46/90/369814690.db2.gz MQXQKEYDBLCGLK-UHFFFAOYSA-N 2 1 270.417 2.040 20 0 CEADMP C[C@@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000192776166 369851962 /nfs/dbraw/zinc/85/19/62/369851962.db2.gz XIKIJCOOZFTTAY-CQSZACIVSA-N 2 1 277.412 2.001 20 0 CEADMP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(C)C ZINC000352737004 369860682 /nfs/dbraw/zinc/86/06/82/369860682.db2.gz IKIVUQMWQJCDIE-ZLKJLUDKSA-N 2 1 297.468 2.354 20 0 CEADMP CCC(CC)(CO)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352760652 369871617 /nfs/dbraw/zinc/87/16/17/369871617.db2.gz QUCDSJLEULSJJY-UHFFFAOYSA-N 2 1 285.457 2.093 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(CC)nc2)C1 ZINC000352780174 369877389 /nfs/dbraw/zinc/87/73/89/369877389.db2.gz OACFIHYKZMWMSO-OAHLLOKOSA-N 2 1 261.413 2.466 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(CC)nc2)C1 ZINC000352780174 369877393 /nfs/dbraw/zinc/87/73/93/369877393.db2.gz OACFIHYKZMWMSO-OAHLLOKOSA-N 2 1 261.413 2.466 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+]Cc1c(C)cnn1C ZINC000352809420 369886862 /nfs/dbraw/zinc/88/68/62/369886862.db2.gz BMWURSMONITDFX-UHFFFAOYSA-N 2 1 266.433 2.330 20 0 CEADMP C[N@@H+]1C[C@H]2CN(Cc3ccc(OCC4CC4)cc3)C[C@H]2C1 ZINC000194538992 370048929 /nfs/dbraw/zinc/04/89/29/370048929.db2.gz KUOCVASUHGTFNY-CALCHBBNSA-N 2 1 286.419 2.469 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC4CC4)cc3)C[C@@H]2C1 ZINC000194538992 370048930 /nfs/dbraw/zinc/04/89/30/370048930.db2.gz KUOCVASUHGTFNY-CALCHBBNSA-N 2 1 286.419 2.469 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCC4CC4)cc3)C[C@@H]2C1 ZINC000194538992 370048949 /nfs/dbraw/zinc/04/89/49/370048949.db2.gz KUOCVASUHGTFNY-CALCHBBNSA-N 2 1 286.419 2.469 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H]1C ZINC000353927398 370140196 /nfs/dbraw/zinc/14/01/96/370140196.db2.gz INFHUGJZERSCOX-GVRJEKJASA-N 2 1 294.439 2.181 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@H]1C ZINC000353927398 370140200 /nfs/dbraw/zinc/14/02/00/370140200.db2.gz INFHUGJZERSCOX-GVRJEKJASA-N 2 1 294.439 2.181 20 0 CEADMP CC[C@@H](C[NH2+]CCC(C)(C)C(=O)OC)[NH+]1CCCC1 ZINC000353931718 370142059 /nfs/dbraw/zinc/14/20/59/370142059.db2.gz JVDDATMPEXVUMV-ZDUSSCGKSA-N 2 1 270.417 2.040 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+](C(C)C)CC1 ZINC000353989175 370165072 /nfs/dbraw/zinc/16/50/72/370165072.db2.gz ZWGYMHGRGDFTLP-INIZCTEOSA-N 2 1 267.461 2.323 20 0 CEADMP Cc1cc(CN)oc1C(=O)Nc1ccc2c(c1)nc(C)n2C ZINC000638126211 370321735 /nfs/dbraw/zinc/32/17/35/370321735.db2.gz RTAQVBFLEOFYSB-UHFFFAOYSA-N 2 1 298.346 2.494 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000354433017 370361404 /nfs/dbraw/zinc/36/14/04/370361404.db2.gz METCXUBCFVUPLP-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC[C@@H]2CCO2)C1 ZINC000638133845 370326969 /nfs/dbraw/zinc/32/69/69/370326969.db2.gz KWABGEBGJMAHCX-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000638133845 370326974 /nfs/dbraw/zinc/32/69/74/370326974.db2.gz KWABGEBGJMAHCX-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC000638133845 370326977 /nfs/dbraw/zinc/32/69/77/370326977.db2.gz KWABGEBGJMAHCX-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1ccc2[nH+]ccc(NCC[N@H+]3CCOCC3(C)C)c2c1 ZINC000354592906 370425102 /nfs/dbraw/zinc/42/51/02/370425102.db2.gz JDLXCUKVLKBASJ-UHFFFAOYSA-N 2 1 299.418 2.488 20 0 CEADMP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000354517490 370395556 /nfs/dbraw/zinc/39/55/56/370395556.db2.gz XZOPAOBVEGSOBA-GOEBONIOSA-N 2 1 261.413 2.395 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638320841 370444213 /nfs/dbraw/zinc/44/42/13/370444213.db2.gz SKVYZSPTOQAEPB-UHFFFAOYSA-N 2 1 299.365 2.206 20 0 CEADMP CO[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)CC(C)C ZINC000638358809 370467862 /nfs/dbraw/zinc/46/78/62/370467862.db2.gz KLNCQSIQRKGJHM-UKRRQHHQSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC1(C[NH+](C)C)CCCC1 ZINC000355057682 370501507 /nfs/dbraw/zinc/50/15/07/370501507.db2.gz FIYQATLZPUSHQT-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000355057682 370501509 /nfs/dbraw/zinc/50/15/09/370501509.db2.gz FIYQATLZPUSHQT-LSDHHAIUSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000355057682 370501515 /nfs/dbraw/zinc/50/15/15/370501515.db2.gz FIYQATLZPUSHQT-LSDHHAIUSA-N 3 1 267.461 2.038 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC000638370524 370479478 /nfs/dbraw/zinc/47/94/78/370479478.db2.gz ZKKOSXBFQIKADU-RCCFBDPRSA-N 2 1 288.435 2.461 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC000638370524 370479483 /nfs/dbraw/zinc/47/94/83/370479483.db2.gz ZKKOSXBFQIKADU-RCCFBDPRSA-N 2 1 288.435 2.461 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CCCc2cnn(C)c2)C1 ZINC000638371239 370479687 /nfs/dbraw/zinc/47/96/87/370479687.db2.gz JYVCTUDFNXOFEM-IYBDPMFKSA-N 2 1 292.471 2.310 20 0 CEADMP Nc1c(F)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000638378579 370485052 /nfs/dbraw/zinc/48/50/52/370485052.db2.gz YUHOXQZUICCCAC-CHWSQXEVSA-N 2 1 263.360 2.124 20 0 CEADMP Nc1c(F)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000638378579 370485056 /nfs/dbraw/zinc/48/50/56/370485056.db2.gz YUHOXQZUICCCAC-CHWSQXEVSA-N 2 1 263.360 2.124 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638381322 370487124 /nfs/dbraw/zinc/48/71/24/370487124.db2.gz JYANBNFMUQJVOK-SJORKVTESA-N 2 1 287.451 2.444 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@](C)(OC)C2CC2)C1 ZINC000638450187 370538281 /nfs/dbraw/zinc/53/82/81/370538281.db2.gz AVUWRWSQELWHJX-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@@H+](CCC[NH2+]C1CCC(O)CC1)Cc1ccccc1 ZINC000234269479 370531712 /nfs/dbraw/zinc/53/17/12/370531712.db2.gz GALIIGOJZIXEFP-UHFFFAOYSA-N 2 1 276.424 2.402 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@]2(OC)CCOC2)c1 ZINC000638563901 370606749 /nfs/dbraw/zinc/60/67/49/370606749.db2.gz SYZDBSWOLKFTAY-KRWDZBQOSA-N 2 1 292.423 2.033 20 0 CEADMP C[NH+](C)CCCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000355471137 370563800 /nfs/dbraw/zinc/56/38/00/370563800.db2.gz IPOWROXJVKWZQO-CQSZACIVSA-N 2 1 297.830 2.011 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000236665387 370605249 /nfs/dbraw/zinc/60/52/49/370605249.db2.gz FNWADGUWLBUBBI-UHFFFAOYSA-N 2 1 283.460 2.132 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000236739521 370618101 /nfs/dbraw/zinc/61/81/01/370618101.db2.gz BXKKUCAQEQRMEC-HUUCEWRRSA-N 2 1 283.460 2.132 20 0 CEADMP COc1cccc(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000638588509 370622962 /nfs/dbraw/zinc/62/29/62/370622962.db2.gz MBYKARIGHVKWQI-AWEZNQCLSA-N 2 1 262.397 2.435 20 0 CEADMP COc1cccc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000638588509 370622968 /nfs/dbraw/zinc/62/29/68/370622968.db2.gz MBYKARIGHVKWQI-AWEZNQCLSA-N 2 1 262.397 2.435 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000638565752 370607794 /nfs/dbraw/zinc/60/77/94/370607794.db2.gz TTYOBPXMYGCSAB-KBPBESRZSA-N 2 1 279.428 2.341 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000358396843 371047800 /nfs/dbraw/zinc/04/78/00/371047800.db2.gz JWGFIAYDDOHLCR-QAPCUYQASA-N 2 1 287.451 2.191 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000358396843 371047804 /nfs/dbraw/zinc/04/78/04/371047804.db2.gz JWGFIAYDDOHLCR-QAPCUYQASA-N 2 1 287.451 2.191 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCSCC(F)(F)F)CC[N@H+]1C ZINC000358302082 371002102 /nfs/dbraw/zinc/00/21/02/371002102.db2.gz SGBRUSZJKNXYQR-ZJUUUORDSA-N 2 1 270.364 2.354 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)SC)[C@H](C)C1 ZINC000358329875 371017291 /nfs/dbraw/zinc/01/72/91/371017291.db2.gz PSJZMPRJNNILNF-ILXRZTDVSA-N 2 1 288.501 2.465 20 0 CEADMP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000246886878 371025032 /nfs/dbraw/zinc/02/50/32/371025032.db2.gz DRAXVEGLKLNXQP-ZNMIVQPWSA-N 2 1 264.417 2.334 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000639179101 371057586 /nfs/dbraw/zinc/05/75/86/371057586.db2.gz RQHAQZARWIDREE-ARFHVFGLSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000639179101 371057591 /nfs/dbraw/zinc/05/75/91/371057591.db2.gz RQHAQZARWIDREE-ARFHVFGLSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000639179101 371057595 /nfs/dbraw/zinc/05/75/95/371057595.db2.gz RQHAQZARWIDREE-ARFHVFGLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@](C)(C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21)OC ZINC000639180499 371059634 /nfs/dbraw/zinc/05/96/34/371059634.db2.gz XGSNZGZIKJUXBK-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CC[C@](C)(C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21)OC ZINC000639180499 371059638 /nfs/dbraw/zinc/05/96/38/371059638.db2.gz XGSNZGZIKJUXBK-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CC[C@](C)(C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)OC ZINC000639180499 371059642 /nfs/dbraw/zinc/05/96/42/371059642.db2.gz XGSNZGZIKJUXBK-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCOC1 ZINC000247087431 371063541 /nfs/dbraw/zinc/06/35/41/371063541.db2.gz NUMRBOZGXPDKPB-BPUTZDHNSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCOC1 ZINC000247087431 371063547 /nfs/dbraw/zinc/06/35/47/371063547.db2.gz NUMRBOZGXPDKPB-BPUTZDHNSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCCN(CC)c1ccccc1 ZINC000358552835 371112929 /nfs/dbraw/zinc/11/29/29/371112929.db2.gz CBHMTNFDXWINFE-UHFFFAOYSA-N 2 1 291.439 2.361 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000358567153 371121098 /nfs/dbraw/zinc/12/10/98/371121098.db2.gz OCDWDDHJBQDKPU-UHFFFAOYSA-N 2 1 291.439 2.096 20 0 CEADMP CCC[NH+](C)CC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000358567153 371121101 /nfs/dbraw/zinc/12/11/01/371121101.db2.gz OCDWDDHJBQDKPU-UHFFFAOYSA-N 2 1 291.439 2.096 20 0 CEADMP CCC[NH+](C)CC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000358567153 371121108 /nfs/dbraw/zinc/12/11/08/371121108.db2.gz OCDWDDHJBQDKPU-UHFFFAOYSA-N 2 1 291.439 2.096 20 0 CEADMP CO[C@](C)(C[NH2+]CCCC[N@@H+](C)C1CC1)C1CC1 ZINC000639246724 371144724 /nfs/dbraw/zinc/14/47/24/371144724.db2.gz JVGLGJOJAWYJOZ-OAHLLOKOSA-N 2 1 254.418 2.266 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@]12CCCO2 ZINC000639257545 371157869 /nfs/dbraw/zinc/15/78/69/371157869.db2.gz OUBOGKCXZRCIGE-YYIAUSFCSA-N 2 1 296.455 2.035 20 0 CEADMP COCC1(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000639258109 371157886 /nfs/dbraw/zinc/15/78/86/371157886.db2.gz ZRNGRNYXNZXMKX-CQSZACIVSA-N 2 1 254.418 2.125 20 0 CEADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000358661457 371161534 /nfs/dbraw/zinc/16/15/34/371161534.db2.gz MLPDUNHPJSWEJE-ZNMIVQPWSA-N 2 1 256.434 2.103 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)NC)CC1)CC(C)C ZINC000358734666 371197218 /nfs/dbraw/zinc/19/72/18/371197218.db2.gz FOWAOVGNHAHWFD-UHFFFAOYSA-N 2 1 297.487 2.203 20 0 CEADMP CC(C)[C@H](C(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000358743562 371201447 /nfs/dbraw/zinc/20/14/47/371201447.db2.gz VOBNWQLYPMYSEM-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358747498 371202766 /nfs/dbraw/zinc/20/27/66/371202766.db2.gz HPXAOVVPMYLBIK-IUODEOHRSA-N 2 1 287.411 2.228 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN[C@H](C[S@@](C)=O)c1ccccc1 ZINC000248541943 371208349 /nfs/dbraw/zinc/20/83/49/371208349.db2.gz BUDYQSDDEZADSL-JXXFODFXSA-N 2 1 294.464 2.180 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)OC ZINC000639347011 371259994 /nfs/dbraw/zinc/25/99/94/371259994.db2.gz KQMAFTNJDFNGQO-KKUMJFAQSA-N 2 1 256.434 2.369 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248728474 371239162 /nfs/dbraw/zinc/23/91/62/371239162.db2.gz KALAZFXLWJPOBA-LVQVYYBASA-N 2 1 278.440 2.266 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC2CCSCC2)CCO1 ZINC000639334273 371243664 /nfs/dbraw/zinc/24/36/64/371243664.db2.gz BSAZLJBYWKDZPG-HNNXBMFYSA-N 2 1 286.485 2.172 20 0 CEADMP CC(C)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358852767 371247209 /nfs/dbraw/zinc/24/72/09/371247209.db2.gz LRKOQORDDFFBMF-IYBDPMFKSA-N 2 1 298.471 2.233 20 0 CEADMP CC(C)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358852767 371247212 /nfs/dbraw/zinc/24/72/12/371247212.db2.gz LRKOQORDDFFBMF-IYBDPMFKSA-N 2 1 298.471 2.233 20 0 CEADMP c1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)sn1 ZINC000639337759 371247890 /nfs/dbraw/zinc/24/78/90/371247890.db2.gz PAKZIWMEWWKVBS-CYBMUJFWSA-N 2 1 265.426 2.355 20 0 CEADMP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)sn1 ZINC000639337759 371247894 /nfs/dbraw/zinc/24/78/94/371247894.db2.gz PAKZIWMEWWKVBS-CYBMUJFWSA-N 2 1 265.426 2.355 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@@H](C)O2)[C@H](C)C1 ZINC000248885285 371263032 /nfs/dbraw/zinc/26/30/32/371263032.db2.gz HBCXBFQEOJIXLX-KBXIAJHMSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[C@@H](C)O2)[C@H](C)C1 ZINC000248885285 371263034 /nfs/dbraw/zinc/26/30/34/371263034.db2.gz HBCXBFQEOJIXLX-KBXIAJHMSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[C@@H](C)O2)[C@H](C)C1 ZINC000248885285 371263036 /nfs/dbraw/zinc/26/30/36/371263036.db2.gz HBCXBFQEOJIXLX-KBXIAJHMSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)CC2CCCC2)CC[N@@H+]1C ZINC000249136844 371300423 /nfs/dbraw/zinc/30/04/23/371300423.db2.gz VOTIRIPTPOZUJX-KBMXLJTQSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)CC2CCCC2)CC[N@H+]1C ZINC000249136844 371300428 /nfs/dbraw/zinc/30/04/28/371300428.db2.gz VOTIRIPTPOZUJX-KBMXLJTQSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)CC2CCCC2)CC[NH+]1C ZINC000249136844 371300431 /nfs/dbraw/zinc/30/04/31/371300431.db2.gz VOTIRIPTPOZUJX-KBMXLJTQSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)CC2CCCC2)CC[NH+]1C ZINC000249136844 371300437 /nfs/dbraw/zinc/30/04/37/371300437.db2.gz VOTIRIPTPOZUJX-KBMXLJTQSA-N 2 1 268.445 2.342 20 0 CEADMP COc1ccc(C[N@H+](C)[C@H]2CN3CCC2CC3)cc1F ZINC000639395536 371307329 /nfs/dbraw/zinc/30/73/29/371307329.db2.gz BOEITWMTURMQCI-HNNXBMFYSA-N 2 1 278.371 2.360 20 0 CEADMP COc1ccc(C[N@@H+](C)[C@H]2CN3CCC2CC3)cc1F ZINC000639395536 371307333 /nfs/dbraw/zinc/30/73/33/371307333.db2.gz BOEITWMTURMQCI-HNNXBMFYSA-N 2 1 278.371 2.360 20 0 CEADMP Cc1ccc(CCC[N@H+](C)[C@H]2CN3CCC2CC3)cn1 ZINC000639396356 371308517 /nfs/dbraw/zinc/30/85/17/371308517.db2.gz KDAGJVRCIHYINB-KRWDZBQOSA-N 2 1 273.424 2.349 20 0 CEADMP COc1cc(C)nc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250963159 371395700 /nfs/dbraw/zinc/39/57/00/371395700.db2.gz UXCZWGSZCAAEJQ-ZFWWWQNUSA-N 2 1 275.396 2.115 20 0 CEADMP CC[C@H](C)C[N@H+](CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000251748133 371415679 /nfs/dbraw/zinc/41/56/79/371415679.db2.gz GSTVHHSERSMJEO-XIRDDKMYSA-N 2 1 278.440 2.285 20 0 CEADMP CC[C@H](C)C[N@@H+](CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000251748133 371415683 /nfs/dbraw/zinc/41/56/83/371415683.db2.gz GSTVHHSERSMJEO-XIRDDKMYSA-N 2 1 278.440 2.285 20 0 CEADMP CC1(C)CC[N@@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639505748 371369491 /nfs/dbraw/zinc/36/94/91/371369491.db2.gz UFVKQXVNRPVJRO-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP CC1(C)CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639505748 371369495 /nfs/dbraw/zinc/36/94/95/371369495.db2.gz UFVKQXVNRPVJRO-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP CC1(C)CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639505748 371369498 /nfs/dbraw/zinc/36/94/98/371369498.db2.gz UFVKQXVNRPVJRO-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP CC1(C)CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639505748 371369504 /nfs/dbraw/zinc/36/95/04/371369504.db2.gz UFVKQXVNRPVJRO-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP CC1(C)CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639505748 371369508 /nfs/dbraw/zinc/36/95/08/371369508.db2.gz UFVKQXVNRPVJRO-GOSISDBHSA-N 2 1 288.435 2.355 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000250007317 371374744 /nfs/dbraw/zinc/37/47/44/371374744.db2.gz UFAKDVXLZDMKDX-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1C ZINC000252200441 371434287 /nfs/dbraw/zinc/43/42/87/371434287.db2.gz TXUYOYPNDOGORF-JHNDHUHGSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1C ZINC000252200441 371434292 /nfs/dbraw/zinc/43/42/92/371434292.db2.gz TXUYOYPNDOGORF-JHNDHUHGSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[C@H]1C ZINC000252562018 371457213 /nfs/dbraw/zinc/45/72/13/371457213.db2.gz WRHBTFYYLKGSBE-JKJDWNRSSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[C@H]1C ZINC000252562018 371457219 /nfs/dbraw/zinc/45/72/19/371457219.db2.gz WRHBTFYYLKGSBE-JKJDWNRSSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)on1 ZINC000639682441 371491648 /nfs/dbraw/zinc/49/16/48/371491648.db2.gz XPJHLIVUEBKFFC-UHFFFAOYSA-N 2 1 272.352 2.090 20 0 CEADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C(C)(C)C)n1 ZINC000252837829 371481039 /nfs/dbraw/zinc/48/10/39/371481039.db2.gz ABUBOTNOLOJLMO-AEGPPILISA-N 2 1 290.455 2.277 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639702886 371507419 /nfs/dbraw/zinc/50/74/19/371507419.db2.gz FUEZVCBHBHXNFR-MRXNPFEDSA-N 3 1 288.439 2.078 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639702886 371507423 /nfs/dbraw/zinc/50/74/23/371507423.db2.gz FUEZVCBHBHXNFR-MRXNPFEDSA-N 3 1 288.439 2.078 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639702886 371507429 /nfs/dbraw/zinc/50/74/29/371507429.db2.gz FUEZVCBHBHXNFR-MRXNPFEDSA-N 3 1 288.439 2.078 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639702886 371507433 /nfs/dbraw/zinc/50/74/33/371507433.db2.gz FUEZVCBHBHXNFR-MRXNPFEDSA-N 3 1 288.439 2.078 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639702886 371507437 /nfs/dbraw/zinc/50/74/37/371507437.db2.gz FUEZVCBHBHXNFR-MRXNPFEDSA-N 3 1 288.439 2.078 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000360588775 371519544 /nfs/dbraw/zinc/51/95/44/371519544.db2.gz MANPOHXWXAVOJA-NQNKBUKLSA-N 2 1 281.488 2.283 20 0 CEADMP CC(C)OCCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757864 371549128 /nfs/dbraw/zinc/54/91/28/371549128.db2.gz MGHAWJJUOIBQBI-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000639684204 371492575 /nfs/dbraw/zinc/49/25/75/371492575.db2.gz GHKQXUYQWRAKBJ-INIZCTEOSA-N 2 1 289.423 2.409 20 0 CEADMP C[C@H]1OCC[C@@H]1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684211 371493149 /nfs/dbraw/zinc/49/31/49/371493149.db2.gz GMTXWIGEJAOUFL-HUUCEWRRSA-N 2 1 275.396 2.019 20 0 CEADMP FC1(F)C[C@@H]1OCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684089 371493531 /nfs/dbraw/zinc/49/35/31/371493531.db2.gz QNZKMWXIINOSLR-AWEZNQCLSA-N 2 1 297.349 2.018 20 0 CEADMP C[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000359931923 371494481 /nfs/dbraw/zinc/49/44/81/371494481.db2.gz CRACGZCHTPFRNC-XUWVNRHRSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000359931923 371494482 /nfs/dbraw/zinc/49/44/82/371494482.db2.gz CRACGZCHTPFRNC-XUWVNRHRSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000359931923 371494484 /nfs/dbraw/zinc/49/44/84/371494484.db2.gz CRACGZCHTPFRNC-XUWVNRHRSA-N 2 1 267.461 2.322 20 0 CEADMP COc1ccccc1CC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000259132423 371623048 /nfs/dbraw/zinc/62/30/48/371623048.db2.gz WQEJNJZTPLBVPG-CQSZACIVSA-N 2 1 262.397 2.169 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000261559877 371647701 /nfs/dbraw/zinc/64/77/01/371647701.db2.gz XSWLNVIPJJNORA-WFASDCNBSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000261559877 371647706 /nfs/dbraw/zinc/64/77/06/371647706.db2.gz XSWLNVIPJJNORA-WFASDCNBSA-N 2 1 255.365 2.404 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000261559114 371648146 /nfs/dbraw/zinc/64/81/46/371648146.db2.gz NWAFMGFUJKCBMB-CYBMUJFWSA-N 2 1 255.365 2.276 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000261559114 371648152 /nfs/dbraw/zinc/64/81/52/371648152.db2.gz NWAFMGFUJKCBMB-CYBMUJFWSA-N 2 1 255.365 2.276 20 0 CEADMP CC(C)([NH3+])CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000261708332 371708346 /nfs/dbraw/zinc/70/83/46/371708346.db2.gz IPURRPQVJYLCJM-UHFFFAOYSA-N 2 1 276.428 2.136 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983342 371710844 /nfs/dbraw/zinc/71/08/44/371710844.db2.gz DYTCNGBBHPZNEM-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000261758906 371721735 /nfs/dbraw/zinc/72/17/35/371721735.db2.gz CVUZEGIEIWZTST-NWDGAFQWSA-N 2 1 290.436 2.318 20 0 CEADMP CCC[N@@H+](C[C@@H]1CCCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000261776782 371728309 /nfs/dbraw/zinc/72/83/09/371728309.db2.gz NMTXXDUJWJUFJI-GJZGRUSLSA-N 2 1 254.418 2.267 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1F ZINC000361156799 371687155 /nfs/dbraw/zinc/68/71/55/371687155.db2.gz TZPPTYNQFDEHIE-DOMZBBRYSA-N 2 1 280.387 2.307 20 0 CEADMP CC(C)([NH3+])C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000261654256 371694607 /nfs/dbraw/zinc/69/46/07/371694607.db2.gz BGSUGLYSKDQFTI-UHFFFAOYSA-N 2 1 299.422 2.388 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261667609 371698222 /nfs/dbraw/zinc/69/82/22/371698222.db2.gz ZQTIPYYUJQXGFS-MRXNPFEDSA-N 2 1 260.381 2.018 20 0 CEADMP COCC[N@H+]1CC[C@H](Nc2cc3c(cn2)CCCC3)C1 ZINC000361174697 371698696 /nfs/dbraw/zinc/69/86/96/371698696.db2.gz ABXYIKQKBPLJLB-HNNXBMFYSA-N 2 1 275.396 2.093 20 0 CEADMP CC(C)CC[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000361263567 371747324 /nfs/dbraw/zinc/74/73/24/371747324.db2.gz XCUBCOHNAREILC-CABCVRRESA-N 2 1 256.434 2.057 20 0 CEADMP CC(C)CC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000361263567 371747328 /nfs/dbraw/zinc/74/73/28/371747328.db2.gz XCUBCOHNAREILC-CABCVRRESA-N 2 1 256.434 2.057 20 0 CEADMP CC(C)CC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000361263567 371747332 /nfs/dbraw/zinc/74/73/32/371747332.db2.gz XCUBCOHNAREILC-CABCVRRESA-N 2 1 256.434 2.057 20 0 CEADMP C[N@@H+](CCc1ccc(F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261867794 371755229 /nfs/dbraw/zinc/75/52/29/371755229.db2.gz OCTJRXVWKLRJKW-HNNXBMFYSA-N 2 1 250.361 2.300 20 0 CEADMP C[N@H+](Cc1ccc(F)c(F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261884163 371760904 /nfs/dbraw/zinc/76/09/04/371760904.db2.gz ROXGHHWKFPHTKH-CQSZACIVSA-N 2 1 254.324 2.396 20 0 CEADMP C[N@@H+](Cc1ccc(F)c(F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261884163 371760912 /nfs/dbraw/zinc/76/09/12/371760912.db2.gz ROXGHHWKFPHTKH-CQSZACIVSA-N 2 1 254.324 2.396 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000361301727 371768936 /nfs/dbraw/zinc/76/89/36/371768936.db2.gz QTWRSLVTZOIZHH-ILXRZTDVSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)CC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000361301727 371768939 /nfs/dbraw/zinc/76/89/39/371768939.db2.gz QTWRSLVTZOIZHH-ILXRZTDVSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)CC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361301727 371768940 /nfs/dbraw/zinc/76/89/40/371768940.db2.gz QTWRSLVTZOIZHH-ILXRZTDVSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)CC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361301727 371768944 /nfs/dbraw/zinc/76/89/44/371768944.db2.gz QTWRSLVTZOIZHH-ILXRZTDVSA-N 2 1 256.434 2.198 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccnn3-c3ccccc3)C[C@H]21 ZINC000261975191 371788430 /nfs/dbraw/zinc/78/84/30/371788430.db2.gz QSICHJJMMNMXIE-ZTFGCOKTSA-N 2 1 296.418 2.432 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000262156181 371830203 /nfs/dbraw/zinc/83/02/03/371830203.db2.gz SRIBZPFXSPXZPS-XJKSGUPXSA-N 2 1 283.460 2.131 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000262156177 371830709 /nfs/dbraw/zinc/83/07/09/371830709.db2.gz SRIBZPFXSPXZPS-CZUORRHYSA-N 2 1 283.460 2.131 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000262033437 371806118 /nfs/dbraw/zinc/80/61/18/371806118.db2.gz XKUQMDJAKHXDMJ-XHSDSOJGSA-N 2 1 288.439 2.097 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1)c1nccs1 ZINC000262041079 371807448 /nfs/dbraw/zinc/80/74/48/371807448.db2.gz PCUPPYBPFOOWOM-YPMHNXCESA-N 2 1 253.415 2.178 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000640099664 371813374 /nfs/dbraw/zinc/81/33/74/371813374.db2.gz IJCPKULRWKZETN-OAGGEKHMSA-N 2 1 277.412 2.207 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000640099664 371813383 /nfs/dbraw/zinc/81/33/83/371813383.db2.gz IJCPKULRWKZETN-OAGGEKHMSA-N 2 1 277.412 2.207 20 0 CEADMP O[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@H]2CCCC[C@@H]12 ZINC000640102839 371814874 /nfs/dbraw/zinc/81/48/74/371814874.db2.gz VDFLKQGGXWGAEU-IXDOHACOSA-N 2 1 280.456 2.488 20 0 CEADMP COc1ccccc1[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262071294 371817188 /nfs/dbraw/zinc/81/71/88/371817188.db2.gz SDNUHMLXHUMCPL-PBHICJAKSA-N 2 1 274.408 2.484 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000262068711 371818058 /nfs/dbraw/zinc/81/80/58/371818058.db2.gz BTHCFMYVEZXQNX-CABCVRRESA-N 2 1 262.397 2.351 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1(C(=O)OC)CCC1 ZINC000353347731 220038033 /nfs/dbraw/zinc/03/80/33/220038033.db2.gz LHYCPOCQOVTBNZ-HNNXBMFYSA-N 2 1 294.439 2.325 20 0 CEADMP CCc1nc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000262201715 371837510 /nfs/dbraw/zinc/83/75/10/371837510.db2.gz KMAOQCWTVSKDQD-ZYHUDNBSSA-N 2 1 253.415 2.313 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H](C)C(C)(C)C)CC1 ZINC000640351932 371921042 /nfs/dbraw/zinc/92/10/42/371921042.db2.gz ZAKJWNOMKMPKJT-CQSZACIVSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)[C@H](C)NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532857 372021188 /nfs/dbraw/zinc/02/11/88/372021188.db2.gz XKTKLHMQPKJGMF-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP CCCNC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532024 372021844 /nfs/dbraw/zinc/02/18/44/372021844.db2.gz SWOGAVCCKVMSSW-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)C(F)(F)F ZINC000640533420 372023687 /nfs/dbraw/zinc/02/36/87/372023687.db2.gz QSJDAYSAWGGVBK-GFCCVEGCSA-N 2 1 282.350 2.108 20 0 CEADMP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000361729887 372042694 /nfs/dbraw/zinc/04/26/94/372042694.db2.gz VKMOVGFUHBFRPD-JJRVBVJISA-N 2 1 292.423 2.392 20 0 CEADMP CCN1CCC([N@@H+](CCCCOC)C2CC2)CC1 ZINC000361954854 372142740 /nfs/dbraw/zinc/14/27/40/372142740.db2.gz HSZGJNUUZKZWNS-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+]1CCC([N@H+](CCCCOC)C2CC2)CC1 ZINC000361954854 372142746 /nfs/dbraw/zinc/14/27/46/372142746.db2.gz HSZGJNUUZKZWNS-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+]1CCC([N@@H+](CCCCOC)C2CC2)CC1 ZINC000361954854 372142751 /nfs/dbraw/zinc/14/27/51/372142751.db2.gz HSZGJNUUZKZWNS-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(F)c1 ZINC000268803314 372230121 /nfs/dbraw/zinc/23/01/21/372230121.db2.gz BTQAPGABTLBFAV-ZDUSSCGKSA-N 2 1 280.387 2.323 20 0 CEADMP CC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268730512 372197631 /nfs/dbraw/zinc/19/76/31/372197631.db2.gz STRJSNHBWLWQBK-OIISXLGYSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268730512 372197636 /nfs/dbraw/zinc/19/76/36/372197636.db2.gz STRJSNHBWLWQBK-OIISXLGYSA-N 2 1 276.424 2.400 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2cn3ccc(C)cc3n2)[C@H](C)C1 ZINC000268824453 372241206 /nfs/dbraw/zinc/24/12/06/372241206.db2.gz AWBBCIAZKCSIJL-GDBMZVCRSA-N 2 1 286.423 2.463 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC000344301215 217141732 /nfs/dbraw/zinc/14/17/32/217141732.db2.gz RMKSRQOBSNTKFQ-ZDUSSCGKSA-N 2 1 262.401 2.377 20 0 CEADMP CC(C)c1cc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000362558717 372425237 /nfs/dbraw/zinc/42/52/37/372425237.db2.gz AJFYNTDVAFUHHZ-JSGCOSHPSA-N 2 1 291.443 2.052 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC12CCOCC2 ZINC000363108768 372629594 /nfs/dbraw/zinc/62/95/94/372629594.db2.gz VIMPTMRARDVABE-UHFFFAOYSA-N 2 1 263.385 2.227 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC12CCOCC2 ZINC000363108768 372629604 /nfs/dbraw/zinc/62/96/04/372629604.db2.gz VIMPTMRARDVABE-UHFFFAOYSA-N 2 1 263.385 2.227 20 0 CEADMP C[NH+](C)[C@H]1C[C@H](Nc2[nH+]cnc3[nH]ccc32)C1(C)C ZINC000641648538 372605343 /nfs/dbraw/zinc/60/53/43/372605343.db2.gz LPWSHWQNZYWIGF-QWRGUYRKSA-N 2 1 259.357 2.099 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000641798296 372740669 /nfs/dbraw/zinc/74/06/69/372740669.db2.gz FBRNCPZJNDPEAE-KBUPBQIOSA-N 2 1 266.429 2.454 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)o1 ZINC000641800015 372741952 /nfs/dbraw/zinc/74/19/52/372741952.db2.gz VTRCLEDFOCELAO-QWHCGFSZSA-N 2 1 265.401 2.495 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)o1 ZINC000641800015 372741957 /nfs/dbraw/zinc/74/19/57/372741957.db2.gz VTRCLEDFOCELAO-QWHCGFSZSA-N 2 1 265.401 2.495 20 0 CEADMP C([C@H]1CCC2(CCCC2)O1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000641799757 372742352 /nfs/dbraw/zinc/74/23/52/372742352.db2.gz QTMAGCMBFJEZLK-CQSZACIVSA-N 2 1 264.413 2.306 20 0 CEADMP COCC[NH2+]C1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000641799738 372742580 /nfs/dbraw/zinc/74/25/80/372742580.db2.gz QOSDGHXKONHQKE-INIZCTEOSA-N 2 1 296.455 2.179 20 0 CEADMP Cc1cccc2ncc(C[N@@H+](C)CC3CC[NH+](C)CC3)n21 ZINC000353403410 220065846 /nfs/dbraw/zinc/06/58/46/220065846.db2.gz MMALDPNNBBUWOR-UHFFFAOYSA-N 2 1 286.423 2.416 20 0 CEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000641801905 372744060 /nfs/dbraw/zinc/74/40/60/372744060.db2.gz GPXGCCJMANCRPO-KBPBESRZSA-N 2 1 271.364 2.156 20 0 CEADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(F)cc2Cl)C[C@@H]1[NH3+] ZINC000641803695 372747580 /nfs/dbraw/zinc/74/75/80/372747580.db2.gz DMXPGQMDUBQRRW-NWDGAFQWSA-N 2 1 299.777 2.133 20 0 CEADMP CSc1cccc(NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641806884 372751489 /nfs/dbraw/zinc/75/14/89/372751489.db2.gz RXEOAQHWRXBTHS-QWHCGFSZSA-N 2 1 293.436 2.062 20 0 CEADMP CCCCN(CCCC)C(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641809324 372756159 /nfs/dbraw/zinc/75/61/59/372756159.db2.gz WCXSFULIVNTUSD-KGLIPLIRSA-N 2 1 283.460 2.131 20 0 CEADMP Cc1nc(-c2ccccc2)oc1C[N@@H+](C)CCOCC[NH3+] ZINC000641819944 372765459 /nfs/dbraw/zinc/76/54/59/372765459.db2.gz JFWDFUMDPRKDND-UHFFFAOYSA-N 2 1 289.379 2.057 20 0 CEADMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000353435810 220079374 /nfs/dbraw/zinc/07/93/74/220079374.db2.gz GMCIOFSTSCBELM-BPUTZDHNSA-N 2 1 289.423 2.066 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CCC(C)C)C1 ZINC000361275898 284348315 /nfs/dbraw/zinc/34/83/15/284348315.db2.gz CGXQIEMUKQBVGQ-LSDHHAIUSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CCC(C)C)C1 ZINC000361275898 284348316 /nfs/dbraw/zinc/34/83/16/284348316.db2.gz CGXQIEMUKQBVGQ-LSDHHAIUSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CCC(C)C)C1 ZINC000361275898 284348317 /nfs/dbraw/zinc/34/83/17/284348317.db2.gz CGXQIEMUKQBVGQ-LSDHHAIUSA-N 2 1 256.434 2.057 20 0 CEADMP COCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000344628272 217254932 /nfs/dbraw/zinc/25/49/32/217254932.db2.gz MOMZDKQHLFEWNL-HOCLYGCPSA-N 2 1 292.423 2.284 20 0 CEADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000333243074 205147131 /nfs/dbraw/zinc/14/71/31/205147131.db2.gz FGHZQFUMLFHGLE-YIDVYQOGSA-N 2 1 265.445 2.157 20 0 CEADMP CCOC(=O)C[N@H+](CCCn1cc[nH+]c1C)CC(C)C ZINC000270659513 372888120 /nfs/dbraw/zinc/88/81/20/372888120.db2.gz QFRZAZCZASLNOS-UHFFFAOYSA-N 2 1 281.400 2.103 20 0 CEADMP CCOC(=O)C[N@@H+](CCCn1cc[nH+]c1C)CC(C)C ZINC000270659513 372888129 /nfs/dbraw/zinc/88/81/29/372888129.db2.gz QFRZAZCZASLNOS-UHFFFAOYSA-N 2 1 281.400 2.103 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC1CC[NH+](CC)CC1 ZINC000353479174 220105148 /nfs/dbraw/zinc/10/51/48/220105148.db2.gz HAGVNOBSFGOBRB-CQSZACIVSA-N 2 1 255.450 2.181 20 0 CEADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21)C(C)C ZINC000353499551 220120808 /nfs/dbraw/zinc/12/08/08/220120808.db2.gz VHSAAKLPHWCZLJ-OAGGEKHMSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+](CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C(C)C ZINC000353499551 220120809 /nfs/dbraw/zinc/12/08/09/220120809.db2.gz VHSAAKLPHWCZLJ-OAGGEKHMSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C(C)C ZINC000353499551 220120810 /nfs/dbraw/zinc/12/08/10/220120810.db2.gz VHSAAKLPHWCZLJ-OAGGEKHMSA-N 2 1 267.461 2.179 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnccc1C ZINC000271034705 373082683 /nfs/dbraw/zinc/08/26/83/373082683.db2.gz RFLCRSUXLDXDLU-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnccc1C ZINC000271034705 373082693 /nfs/dbraw/zinc/08/26/93/373082693.db2.gz RFLCRSUXLDXDLU-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC000366493188 373070609 /nfs/dbraw/zinc/07/06/09/373070609.db2.gz XJCCLDUQDLYMGF-QGZVFWFLSA-N 2 1 290.455 2.438 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC000366493188 373070617 /nfs/dbraw/zinc/07/06/17/373070617.db2.gz XJCCLDUQDLYMGF-QGZVFWFLSA-N 2 1 290.455 2.438 20 0 CEADMP CCCn1nc(C)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC000366493188 373070626 /nfs/dbraw/zinc/07/06/26/373070626.db2.gz XJCCLDUQDLYMGF-QGZVFWFLSA-N 2 1 290.455 2.438 20 0 CEADMP CCCn1nc(C)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC000366493188 373070630 /nfs/dbraw/zinc/07/06/30/373070630.db2.gz XJCCLDUQDLYMGF-QGZVFWFLSA-N 2 1 290.455 2.438 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000366769703 373122977 /nfs/dbraw/zinc/12/29/77/373122977.db2.gz HRYRRSBHHABWEV-WCVJEAGWSA-N 2 1 298.496 2.219 20 0 CEADMP COc1ccc2[nH]cc(CC[NH2+][C@H]3C[NH2+]CC[C@@H]3C)c2c1 ZINC000643453936 373123594 /nfs/dbraw/zinc/12/35/94/373123594.db2.gz MSEAPYXTABEMEP-SJCJKPOMSA-N 2 1 287.407 2.307 20 0 CEADMP CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201811 373141572 /nfs/dbraw/zinc/14/15/72/373141572.db2.gz VWUIAPNLGFUAKD-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000643478076 373147222 /nfs/dbraw/zinc/14/72/22/373147222.db2.gz WAZUGUOGYSODFO-CKEIUWERSA-N 2 1 258.409 2.379 20 0 CEADMP CC(C)[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000643529333 373187441 /nfs/dbraw/zinc/18/74/41/373187441.db2.gz YTEYEGFRKXUJGJ-TVQRCGJNSA-N 2 1 263.341 2.167 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1OC ZINC000643528707 373187896 /nfs/dbraw/zinc/18/78/96/373187896.db2.gz NIMOYFDKXSPFSH-QWRGUYRKSA-N 2 1 252.358 2.010 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccnn1C ZINC000643544939 373203321 /nfs/dbraw/zinc/20/33/21/373203321.db2.gz VDXKYBXPPCIWEE-PQJKGVAHSA-N 2 1 288.439 2.224 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545997 373203344 /nfs/dbraw/zinc/20/33/44/373203344.db2.gz GXDLCVSNRIHVAD-JSGCOSHPSA-N 2 1 274.412 2.062 20 0 CEADMP Cn1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(C(C)(C)C)n1 ZINC000271801345 373204838 /nfs/dbraw/zinc/20/48/38/373204838.db2.gz AJHAHAGKBGPIAA-UHFFFAOYSA-N 2 1 276.428 2.069 20 0 CEADMP C[C@H]1[N@@H+](CCC[NH+]2CCCC2)CCC12CCOCC2 ZINC000368813440 373266885 /nfs/dbraw/zinc/26/68/85/373266885.db2.gz GNTSQQYTOUHVNG-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@](C)(O)CC1 ZINC000369130266 373339293 /nfs/dbraw/zinc/33/92/93/373339293.db2.gz MGRPNPIIFOXQFL-HNNXBMFYSA-N 2 1 265.401 2.209 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@](C)(O)CC1 ZINC000369130266 373339298 /nfs/dbraw/zinc/33/92/98/373339298.db2.gz MGRPNPIIFOXQFL-HNNXBMFYSA-N 2 1 265.401 2.209 20 0 CEADMP Cc1cc(CC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)ccc1Cl ZINC000644651604 373582420 /nfs/dbraw/zinc/58/24/20/373582420.db2.gz DDIKIOVUULYESO-OAHLLOKOSA-N 2 1 296.842 2.236 20 0 CEADMP Cc1cc(CC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)ccc1Cl ZINC000644651604 373582426 /nfs/dbraw/zinc/58/24/26/373582426.db2.gz DDIKIOVUULYESO-OAHLLOKOSA-N 2 1 296.842 2.236 20 0 CEADMP CC[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644658824 373588718 /nfs/dbraw/zinc/58/87/18/373588718.db2.gz BCOUQBVSZRZXOR-IXDOHACOSA-N 2 1 276.424 2.115 20 0 CEADMP CC[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644658824 373588726 /nfs/dbraw/zinc/58/87/26/373588726.db2.gz BCOUQBVSZRZXOR-IXDOHACOSA-N 2 1 276.424 2.115 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000644600413 373552850 /nfs/dbraw/zinc/55/28/50/373552850.db2.gz PRUFWFABEPIREN-CABCVRRESA-N 2 1 298.377 2.257 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000644600413 373552855 /nfs/dbraw/zinc/55/28/55/373552855.db2.gz PRUFWFABEPIREN-CABCVRRESA-N 2 1 298.377 2.257 20 0 CEADMP CCc1cc(N2CCC([NH2+]C3CC3)CC2)nc(C)[nH+]1 ZINC000272894458 373698082 /nfs/dbraw/zinc/69/80/82/373698082.db2.gz OKCVGXJPQQHCBP-UHFFFAOYSA-N 2 1 260.385 2.068 20 0 CEADMP CCc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(C)n1 ZINC000272899332 373700970 /nfs/dbraw/zinc/70/09/70/373700970.db2.gz PFPNNKNBOONDHS-MFKMUULPSA-N 2 1 260.385 2.385 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(OCC2CC2)CC1 ZINC000371196063 373808339 /nfs/dbraw/zinc/80/83/39/373808339.db2.gz BPPPTJKDSDCJIB-HNNXBMFYSA-N 2 1 266.429 2.362 20 0 CEADMP CCCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371295975 373834107 /nfs/dbraw/zinc/83/41/07/373834107.db2.gz WBEDCUUSKAOUAP-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(C)c1 ZINC000353669791 220240064 /nfs/dbraw/zinc/24/00/64/220240064.db2.gz FGYMIOVNXPVRDG-CVEARBPZSA-N 2 1 262.397 2.102 20 0 CEADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(C)c1 ZINC000353669791 220240067 /nfs/dbraw/zinc/24/00/67/220240067.db2.gz FGYMIOVNXPVRDG-CVEARBPZSA-N 2 1 262.397 2.102 20 0 CEADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(C)c1 ZINC000353669792 220241015 /nfs/dbraw/zinc/24/10/15/220241015.db2.gz FGYMIOVNXPVRDG-HOTGVXAUSA-N 2 1 262.397 2.102 20 0 CEADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(C)c1 ZINC000353669792 220241019 /nfs/dbraw/zinc/24/10/19/220241019.db2.gz FGYMIOVNXPVRDG-HOTGVXAUSA-N 2 1 262.397 2.102 20 0 CEADMP CC[N@@H+](C)CCN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274972276 374109679 /nfs/dbraw/zinc/10/96/79/374109679.db2.gz YDTQWIHBBOXLHV-FUHWJXTLSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+](C)CCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972276 374109687 /nfs/dbraw/zinc/10/96/87/374109687.db2.gz YDTQWIHBBOXLHV-FUHWJXTLSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+](C)CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972276 374109691 /nfs/dbraw/zinc/10/96/91/374109691.db2.gz YDTQWIHBBOXLHV-FUHWJXTLSA-N 2 1 289.467 2.438 20 0 CEADMP CCN(C)CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972276 374109699 /nfs/dbraw/zinc/10/96/99/374109699.db2.gz YDTQWIHBBOXLHV-FUHWJXTLSA-N 2 1 289.467 2.438 20 0 CEADMP CCN(C)CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972276 374109705 /nfs/dbraw/zinc/10/97/05/374109705.db2.gz YDTQWIHBBOXLHV-FUHWJXTLSA-N 2 1 289.467 2.438 20 0 CEADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](C)Cc1ccsc1 ZINC000289492105 197373558 /nfs/dbraw/zinc/37/35/58/197373558.db2.gz JMCQKUATQZNJKK-CZUORRHYSA-N 2 1 296.480 2.456 20 0 CEADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](C)Cc1ccsc1 ZINC000289492105 197373559 /nfs/dbraw/zinc/37/35/59/197373559.db2.gz JMCQKUATQZNJKK-CZUORRHYSA-N 2 1 296.480 2.456 20 0 CEADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H](C)Cc1ccsc1 ZINC000289492105 197373561 /nfs/dbraw/zinc/37/35/61/197373561.db2.gz JMCQKUATQZNJKK-CZUORRHYSA-N 2 1 296.480 2.456 20 0 CEADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H](C)Cc1ccsc1 ZINC000289492105 197373563 /nfs/dbraw/zinc/37/35/63/197373563.db2.gz JMCQKUATQZNJKK-CZUORRHYSA-N 2 1 296.480 2.456 20 0 CEADMP C[N@H+]1CCC[C@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000645685072 374136827 /nfs/dbraw/zinc/13/68/27/374136827.db2.gz SMOUPZJMUWWSPR-HOTGVXAUSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000645693053 374140529 /nfs/dbraw/zinc/14/05/29/374140529.db2.gz BUUWVWPBYPYZMY-HIFRSBDPSA-N 2 1 289.423 2.066 20 0 CEADMP COc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1OC ZINC000275253776 374196842 /nfs/dbraw/zinc/19/68/42/374196842.db2.gz IXJPRVLXHJMPGW-UKRRQHHQSA-N 2 1 292.423 2.476 20 0 CEADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000275253776 374196860 /nfs/dbraw/zinc/19/68/60/374196860.db2.gz IXJPRVLXHJMPGW-UKRRQHHQSA-N 2 1 292.423 2.476 20 0 CEADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000275253776 374196868 /nfs/dbraw/zinc/19/68/68/374196868.db2.gz IXJPRVLXHJMPGW-UKRRQHHQSA-N 2 1 292.423 2.476 20 0 CEADMP CC[NH+](CC)CCCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000372810025 374203952 /nfs/dbraw/zinc/20/39/52/374203952.db2.gz MJSOECXKBYMOIR-ZACQAIPSSA-N 3 1 279.472 2.134 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CCC[C@@H]1CCOC1)CC2 ZINC000645845217 374218960 /nfs/dbraw/zinc/21/89/60/374218960.db2.gz WLGQEMQESVBFPR-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CCC[C@@H]1CCOC1)CC2 ZINC000645845217 374218962 /nfs/dbraw/zinc/21/89/62/374218962.db2.gz WLGQEMQESVBFPR-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000373106522 374267815 /nfs/dbraw/zinc/26/78/15/374267815.db2.gz JYFNRICPNMNYOU-CQSZACIVSA-N 2 1 256.353 2.195 20 0 CEADMP CC[NH+]1CCC([N@H+](CCO[C@H]2CCCCO2)C2CC2)CC1 ZINC000373116554 374269848 /nfs/dbraw/zinc/26/98/48/374269848.db2.gz XLLUAKBQRTXVSF-KRWDZBQOSA-N 2 1 296.455 2.478 20 0 CEADMP CC[NH+]1CCC([N@@H+](CCO[C@H]2CCCCO2)C2CC2)CC1 ZINC000373116554 374269855 /nfs/dbraw/zinc/26/98/55/374269855.db2.gz XLLUAKBQRTXVSF-KRWDZBQOSA-N 2 1 296.455 2.478 20 0 CEADMP CN1CC[C@H]2CC[N@H+](CCOc3ccc(F)cc3)[C@@H]2C1 ZINC000373140344 374276041 /nfs/dbraw/zinc/27/60/41/374276041.db2.gz OJQBCVADZONRHZ-XJKSGUPXSA-N 2 1 278.371 2.231 20 0 CEADMP CN1CC[C@H]2CC[N@@H+](CCOc3ccc(F)cc3)[C@@H]2C1 ZINC000373140344 374276047 /nfs/dbraw/zinc/27/60/47/374276047.db2.gz OJQBCVADZONRHZ-XJKSGUPXSA-N 2 1 278.371 2.231 20 0 CEADMP COc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1O ZINC000373024219 374244803 /nfs/dbraw/zinc/24/48/03/374244803.db2.gz MMGGDFGLNQUPPM-CQSZACIVSA-N 2 1 278.396 2.317 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1O ZINC000373024219 374244809 /nfs/dbraw/zinc/24/48/09/374244809.db2.gz MMGGDFGLNQUPPM-CQSZACIVSA-N 2 1 278.396 2.317 20 0 CEADMP CC[N@H+]1CC[C@@H](NC2CC([NH+]3CCCCC3)C2)[C@H](C)C1 ZINC000373465761 374358886 /nfs/dbraw/zinc/35/88/86/374358886.db2.gz MGHYLLNCPOMEQB-RDHHWEPZSA-N 2 1 279.472 2.323 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4CCCOC4)C[C@@H]3C2)cc1 ZINC000684211621 541947493 /nfs/dbraw/zinc/94/74/93/541947493.db2.gz FLVVNPINBRTUKH-FGTMMUONSA-N 2 1 286.419 2.229 20 0 CEADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@@H]4CCCOC4)C[C@@H]3C2)cc1 ZINC000684211621 541947497 /nfs/dbraw/zinc/94/74/97/541947497.db2.gz FLVVNPINBRTUKH-FGTMMUONSA-N 2 1 286.419 2.229 20 0 CEADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4CCCOC4)C[C@@H]3C2)cc1 ZINC000684211621 541947501 /nfs/dbraw/zinc/94/75/01/541947501.db2.gz FLVVNPINBRTUKH-FGTMMUONSA-N 2 1 286.419 2.229 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CC[C@@H]([C@H]4CCOC4)C3)cn2)cn1 ZINC000374409077 374565364 /nfs/dbraw/zinc/56/53/64/374565364.db2.gz BHZQHQBSNMOICU-CVEARBPZSA-N 2 1 298.390 2.126 20 0 CEADMP CO[C@H](C)[C@H](C)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000374578781 374604799 /nfs/dbraw/zinc/60/47/99/374604799.db2.gz WBIGFIKZJHWMEJ-UONOGXRCSA-N 2 1 277.412 2.372 20 0 CEADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000374614307 374614513 /nfs/dbraw/zinc/61/45/13/374614513.db2.gz VFNBUKUUZATQTF-JONQDZQNSA-N 2 1 284.419 2.358 20 0 CEADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000374614307 374614521 /nfs/dbraw/zinc/61/45/21/374614521.db2.gz VFNBUKUUZATQTF-JONQDZQNSA-N 2 1 284.419 2.358 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000278322154 374780156 /nfs/dbraw/zinc/78/01/56/374780156.db2.gz FPKUBNAUDQSCIC-UHFFFAOYSA-N 2 1 277.387 2.493 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(F)nc1C ZINC000278337994 374783940 /nfs/dbraw/zinc/78/39/40/374783940.db2.gz GNBCYNAIGQRRPS-LLVKDONJSA-N 2 1 276.359 2.460 20 0 CEADMP CCC[N@@H+]1CC[C@@H](CNc2cccc(-n3cc[nH+]c3C)n2)C1 ZINC000378436553 375098408 /nfs/dbraw/zinc/09/84/08/375098408.db2.gz QCADVNBFNCKNEY-HNNXBMFYSA-N 2 1 299.422 2.141 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNc2cccc(-n3cc[nH+]c3C)n2)C1 ZINC000378436553 375098418 /nfs/dbraw/zinc/09/84/18/375098418.db2.gz QCADVNBFNCKNEY-HNNXBMFYSA-N 2 1 299.422 2.141 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1NCC(C)(C)[NH+](C)C ZINC000279965996 375047077 /nfs/dbraw/zinc/04/70/77/375047077.db2.gz CSWXRUOWNQBDPL-UHFFFAOYSA-N 2 1 265.357 2.010 20 0 CEADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379655667 375156230 /nfs/dbraw/zinc/15/62/30/375156230.db2.gz MLPTUJVYEPQJBP-WBTNSWJXSA-N 2 1 275.440 2.365 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)c1cccs1)C1CC1 ZINC000382487814 375187011 /nfs/dbraw/zinc/18/70/11/375187011.db2.gz JMRSUHJRYPRAMG-CYBMUJFWSA-N 2 1 282.453 2.070 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)c1cccs1)C1CC1 ZINC000382487814 375187018 /nfs/dbraw/zinc/18/70/18/375187018.db2.gz JMRSUHJRYPRAMG-CYBMUJFWSA-N 2 1 282.453 2.070 20 0 CEADMP C[C@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000282420074 375480468 /nfs/dbraw/zinc/48/04/68/375480468.db2.gz SPXXKWBRPHEDDX-MRXNPFEDSA-N 2 1 289.467 2.406 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000282488058 375497446 /nfs/dbraw/zinc/49/74/46/375497446.db2.gz QVHQWZOCTMLLQZ-USXIJHARSA-N 2 1 276.424 2.409 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C=Cc1c[nH]cn1 ZINC000283122660 375658794 /nfs/dbraw/zinc/65/87/94/375658794.db2.gz NAFXZHRULHCFQU-MYSGNRETSA-N 2 1 298.390 2.060 20 0 CEADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414204093 375802020 /nfs/dbraw/zinc/80/20/20/375802020.db2.gz ZYJBOVCBJORVPQ-UONOGXRCSA-N 2 1 284.444 2.428 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc4c3OC(F)(F)O4)C[C@H]12 ZINC000414667196 375907710 /nfs/dbraw/zinc/90/77/10/375907710.db2.gz HCTDSDZDUPZGGK-ZMLRMANQSA-N 2 1 296.317 2.177 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4c3OC(F)(F)O4)C[C@H]12 ZINC000414667196 375907716 /nfs/dbraw/zinc/90/77/16/375907716.db2.gz HCTDSDZDUPZGGK-ZMLRMANQSA-N 2 1 296.317 2.177 20 0 CEADMP C[N@H+](C/C=C/c1ccc(F)cc1F)C1CC([NH3+])C1 ZINC000414765749 375956863 /nfs/dbraw/zinc/95/68/63/375956863.db2.gz CHGRFVYFKWPVJQ-NSCUHMNNSA-N 2 1 252.308 2.400 20 0 CEADMP C[N@@H+](C/C=C/c1ccc(F)cc1F)C1CC([NH3+])C1 ZINC000414765749 375956866 /nfs/dbraw/zinc/95/68/66/375956866.db2.gz CHGRFVYFKWPVJQ-NSCUHMNNSA-N 2 1 252.308 2.400 20 0 CEADMP Cc1ncc(C[NH2+]C2CC[NH2+]CC2)n1-c1ccccc1 ZINC000414779805 375965209 /nfs/dbraw/zinc/96/52/09/375965209.db2.gz ATBSTHBDTGCVFW-UHFFFAOYSA-N 2 1 270.380 2.022 20 0 CEADMP CCC[C@H](C)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414783712 375967597 /nfs/dbraw/zinc/96/75/97/375967597.db2.gz QLCXCPZAZJHBRW-UONOGXRCSA-N 2 1 254.418 2.110 20 0 CEADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1nccn1CC(F)(F)F ZINC000414794503 375976959 /nfs/dbraw/zinc/97/69/59/375976959.db2.gz FVIPLUNPGSLIQM-MNOVXSKESA-N 2 1 290.333 2.053 20 0 CEADMP Cn1c2ccc(Cl)cc2nc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000414794922 375978339 /nfs/dbraw/zinc/97/83/39/375978339.db2.gz GFYVAQDYERDCEH-ZYHUDNBSSA-N 2 1 292.814 2.444 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](CCCO)CC(C)(C)C)CC[NH2+]1 ZINC000414704484 375930124 /nfs/dbraw/zinc/93/01/24/375930124.db2.gz WBZONSCVRYYDGF-UONOGXRCSA-N 2 1 256.434 2.105 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC[NH2+]1 ZINC000414710040 375935384 /nfs/dbraw/zinc/93/53/84/375935384.db2.gz PKTYYIZGJUFUGD-KONPQCLYSA-N 3 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]1 ZINC000414710040 375935387 /nfs/dbraw/zinc/93/53/87/375935387.db2.gz PKTYYIZGJUFUGD-KONPQCLYSA-N 3 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]1 ZINC000414710040 375935392 /nfs/dbraw/zinc/93/53/92/375935392.db2.gz PKTYYIZGJUFUGD-KONPQCLYSA-N 3 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CC[NH2+]1 ZINC000414710040 375935395 /nfs/dbraw/zinc/93/53/95/375935395.db2.gz PKTYYIZGJUFUGD-KONPQCLYSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CC[NH2+]1 ZINC000414710040 375935399 /nfs/dbraw/zinc/93/53/99/375935399.db2.gz PKTYYIZGJUFUGD-KONPQCLYSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]1 ZINC000414710040 375935403 /nfs/dbraw/zinc/93/54/03/375935403.db2.gz PKTYYIZGJUFUGD-KONPQCLYSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[NH2+]1 ZINC000414710040 375935408 /nfs/dbraw/zinc/93/54/08/375935408.db2.gz PKTYYIZGJUFUGD-KONPQCLYSA-N 2 1 291.483 2.323 20 0 CEADMP COCC[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414745145 375947811 /nfs/dbraw/zinc/94/78/11/375947811.db2.gz PCKBRZDJNMRUCL-TZMCWYRMSA-N 2 1 297.468 2.288 20 0 CEADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000414807442 375993780 /nfs/dbraw/zinc/99/37/80/375993780.db2.gz CTXWMWHHWOZLKT-FUNVUKJBSA-N 2 1 264.344 2.207 20 0 CEADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414812510 375997167 /nfs/dbraw/zinc/99/71/67/375997167.db2.gz PKNJJRRAAYSXQB-ABAIWWIYSA-N 2 1 250.361 2.474 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000414817142 376001327 /nfs/dbraw/zinc/00/13/27/376001327.db2.gz RNLUKBAJSNYZKI-JSGCOSHPSA-N 2 1 265.401 2.128 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1O ZINC000414801320 375987174 /nfs/dbraw/zinc/98/71/74/375987174.db2.gz GUSWCBRBSHDDNH-BXUZGUMPSA-N 2 1 278.396 2.049 20 0 CEADMP Cc1ccnc(C)c1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000287385885 376220327 /nfs/dbraw/zinc/22/03/27/376220327.db2.gz CLRNBVCJYISOFB-ZIAGYGMSSA-N 2 1 288.395 2.256 20 0 CEADMP CCc1nc(C)cc(NCCC[N@H+]2CCCO[C@H](C)C2)n1 ZINC000287792235 376317034 /nfs/dbraw/zinc/31/70/34/376317034.db2.gz OWKLGDIWEZDXFV-CQSZACIVSA-N 2 1 292.427 2.260 20 0 CEADMP CCc1nc(NCCC[N@H+]2CCCO[C@H](C)C2)cc(C)[nH+]1 ZINC000287792235 376317048 /nfs/dbraw/zinc/31/70/48/376317048.db2.gz OWKLGDIWEZDXFV-CQSZACIVSA-N 2 1 292.427 2.260 20 0 CEADMP CC[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)OC ZINC000419246783 376412882 /nfs/dbraw/zinc/41/28/82/376412882.db2.gz WNQLKVWFDMWQRV-BMFZPTHFSA-N 2 1 266.429 2.360 20 0 CEADMP CC[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OC ZINC000419246783 376412884 /nfs/dbraw/zinc/41/28/84/376412884.db2.gz WNQLKVWFDMWQRV-BMFZPTHFSA-N 2 1 266.429 2.360 20 0 CEADMP CC[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)OC ZINC000419246783 376412889 /nfs/dbraw/zinc/41/28/89/376412889.db2.gz WNQLKVWFDMWQRV-BMFZPTHFSA-N 2 1 266.429 2.360 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOCC2CCC2)C1 ZINC000419214813 376397877 /nfs/dbraw/zinc/39/78/77/376397877.db2.gz KTELPQHXEFAIDR-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOCC2CCC2)C1 ZINC000419214813 376397880 /nfs/dbraw/zinc/39/78/80/376397880.db2.gz KTELPQHXEFAIDR-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC000419214813 376397883 /nfs/dbraw/zinc/39/78/83/376397883.db2.gz KTELPQHXEFAIDR-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOCC2CCC2)C1 ZINC000419214813 376397886 /nfs/dbraw/zinc/39/78/86/376397886.db2.gz KTELPQHXEFAIDR-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](CC(C)C)OC)C1 ZINC000419215416 376397946 /nfs/dbraw/zinc/39/79/46/376397946.db2.gz LWQUVQJLIQCQME-GJZGRUSLSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](CC(C)C)OC)C1 ZINC000419215416 376397951 /nfs/dbraw/zinc/39/79/51/376397951.db2.gz LWQUVQJLIQCQME-GJZGRUSLSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](CC(C)C)OC)C1 ZINC000419215416 376397956 /nfs/dbraw/zinc/39/79/56/376397956.db2.gz LWQUVQJLIQCQME-GJZGRUSLSA-N 2 1 256.434 2.321 20 0 CEADMP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000556822598 376498460 /nfs/dbraw/zinc/49/84/60/376498460.db2.gz IKINIYWLMWAYGQ-XUWVNRHRSA-N 2 1 295.471 2.190 20 0 CEADMP C[C@H]([NH2+]Cc1cnc(C2CC2)s1)[C@@H]1CCC[NH2+]C1 ZINC000556934215 376519452 /nfs/dbraw/zinc/51/94/52/376519452.db2.gz RAGSYDBTEUYNLK-CMPLNLGQSA-N 2 1 265.426 2.498 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000556923983 376519936 /nfs/dbraw/zinc/51/99/36/376519936.db2.gz OTOLRDUTPUGZSU-NXOAAHMSSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000556923983 376519941 /nfs/dbraw/zinc/51/99/41/376519941.db2.gz OTOLRDUTPUGZSU-NXOAAHMSSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000556923983 376519947 /nfs/dbraw/zinc/51/99/47/376519947.db2.gz OTOLRDUTPUGZSU-NXOAAHMSSA-N 2 1 279.472 2.323 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)[C@@H]1SC ZINC000556787341 376489270 /nfs/dbraw/zinc/48/92/70/376489270.db2.gz KCBFOENLCHKQGU-XQLPTFJDSA-N 2 1 286.485 2.215 20 0 CEADMP FC(F)(F)CO[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000557333448 376551062 /nfs/dbraw/zinc/55/10/62/376551062.db2.gz AYSCEJDPHQYJOB-STQMWFEESA-N 2 1 294.361 2.419 20 0 CEADMP CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309750262 376602555 /nfs/dbraw/zinc/60/25/55/376602555.db2.gz VSLXGTNYJKIYNJ-INIZCTEOSA-N 2 1 288.439 2.423 20 0 CEADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000557655579 376574252 /nfs/dbraw/zinc/57/42/52/376574252.db2.gz BAYOFTFEALGCHU-INIZCTEOSA-N 2 1 297.487 2.155 20 0 CEADMP C(CC1CCOCC1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000310751477 376634890 /nfs/dbraw/zinc/63/48/90/376634890.db2.gz VNDPMGHKNMDDFM-HUUCEWRRSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@@H+](CCC(=O)NCC[NH+]1CC=CCC1)C1CCCCC1 ZINC000558717785 376639349 /nfs/dbraw/zinc/63/93/49/376639349.db2.gz GGMOBARIHSBLRQ-UHFFFAOYSA-N 2 1 293.455 2.019 20 0 CEADMP C[NH+](CCC(=O)NCC[N@H+]1CC=CCC1)C1CCCCC1 ZINC000558717785 376639365 /nfs/dbraw/zinc/63/93/65/376639365.db2.gz GGMOBARIHSBLRQ-UHFFFAOYSA-N 2 1 293.455 2.019 20 0 CEADMP C[NH+](CCC(=O)NCC[N@@H+]1CC=CCC1)C1CCCCC1 ZINC000558717785 376639374 /nfs/dbraw/zinc/63/93/74/376639374.db2.gz GGMOBARIHSBLRQ-UHFFFAOYSA-N 2 1 293.455 2.019 20 0 CEADMP CCCN(Cc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290131131 376651884 /nfs/dbraw/zinc/65/18/84/376651884.db2.gz ZNDGSPQORCWPSF-QGZVFWFLSA-N 2 1 276.424 2.354 20 0 CEADMP CCCN(Cc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290131131 376651891 /nfs/dbraw/zinc/65/18/91/376651891.db2.gz ZNDGSPQORCWPSF-QGZVFWFLSA-N 2 1 276.424 2.354 20 0 CEADMP CCC[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000290131131 376651898 /nfs/dbraw/zinc/65/18/98/376651898.db2.gz ZNDGSPQORCWPSF-QGZVFWFLSA-N 2 1 276.424 2.354 20 0 CEADMP CCC[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000290131131 376651902 /nfs/dbraw/zinc/65/19/02/376651902.db2.gz ZNDGSPQORCWPSF-QGZVFWFLSA-N 2 1 276.424 2.354 20 0 CEADMP CCC[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290131131 376651909 /nfs/dbraw/zinc/65/19/09/376651909.db2.gz ZNDGSPQORCWPSF-QGZVFWFLSA-N 2 1 276.424 2.354 20 0 CEADMP CCC[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290131131 376651917 /nfs/dbraw/zinc/65/19/17/376651917.db2.gz ZNDGSPQORCWPSF-QGZVFWFLSA-N 2 1 276.424 2.354 20 0 CEADMP CC(C)c1cc(N2CC[C@H](C)C[C@@H]2C[NH3+])nc(N(C)C)[nH+]1 ZINC000420263524 376673817 /nfs/dbraw/zinc/67/38/17/376673817.db2.gz TWGXKMCAAPFKNH-QWHCGFSZSA-N 2 1 291.443 2.230 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCCC3CCOCC3)C[C@H]12 ZINC000311861860 376691573 /nfs/dbraw/zinc/69/15/73/376691573.db2.gz VGHSOZCOLSYCBY-OWCLPIDISA-N 2 1 266.429 2.252 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCCC3CCOCC3)C[C@H]12 ZINC000311861859 376691598 /nfs/dbraw/zinc/69/15/98/376691598.db2.gz VGHSOZCOLSYCBY-HRCADAONSA-N 2 1 266.429 2.252 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2C)C12CCC2 ZINC000311943448 376695954 /nfs/dbraw/zinc/69/59/54/376695954.db2.gz IFFKVNDYIFPJAD-KBPBESRZSA-N 2 1 263.385 2.129 20 0 CEADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(O)cc(F)c2)C1 ZINC000290452385 376785255 /nfs/dbraw/zinc/78/52/55/376785255.db2.gz MKDDKDMPZHFYHL-BBRMVZONSA-N 2 1 278.371 2.447 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(O)cc(F)c2)C1 ZINC000290452385 376785259 /nfs/dbraw/zinc/78/52/59/376785259.db2.gz MKDDKDMPZHFYHL-BBRMVZONSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(O)cc(F)c2)C1 ZINC000290452385 376785267 /nfs/dbraw/zinc/78/52/67/376785267.db2.gz MKDDKDMPZHFYHL-BBRMVZONSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(O)cc(F)c2)C1 ZINC000290452385 376785272 /nfs/dbraw/zinc/78/52/72/376785272.db2.gz MKDDKDMPZHFYHL-BBRMVZONSA-N 2 1 278.371 2.447 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000685452110 542140714 /nfs/dbraw/zinc/14/07/14/542140714.db2.gz YLLOSXKFJHJCHE-UHFFFAOYSA-N 2 1 263.385 2.029 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000685452110 542140719 /nfs/dbraw/zinc/14/07/19/542140719.db2.gz YLLOSXKFJHJCHE-UHFFFAOYSA-N 2 1 263.385 2.029 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000322393787 376829140 /nfs/dbraw/zinc/82/91/40/376829140.db2.gz RGVQXONGDDMABO-SDKNFDLMSA-N 2 1 266.429 2.405 20 0 CEADMP C[C@@H](C[N@@H+](C)CCCN(C)CC[NH+](C)C)C(C)(C)C ZINC000685475784 542149756 /nfs/dbraw/zinc/14/97/56/542149756.db2.gz BVXDSZDZNWYSGL-HNNXBMFYSA-N 2 1 271.493 2.484 20 0 CEADMP COc1ccc(OCCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422901311 376857714 /nfs/dbraw/zinc/85/77/14/376857714.db2.gz RXOXHHGSLATYNB-BBRMVZONSA-N 2 1 278.396 2.052 20 0 CEADMP CCNC(=O)c1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422949618 376872861 /nfs/dbraw/zinc/87/28/61/376872861.db2.gz UOZDRIMBTRNZTL-HOTGVXAUSA-N 2 1 289.423 2.186 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422958788 376884705 /nfs/dbraw/zinc/88/47/05/376884705.db2.gz PYKGGHWMYMQEPZ-XLNGHYISSA-N 3 1 290.455 2.338 20 0 CEADMP C[C@H](NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000423082264 376974470 /nfs/dbraw/zinc/97/44/70/376974470.db2.gz CURPALAVNFZWDL-KKUMJFAQSA-N 2 1 267.461 2.227 20 0 CEADMP CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423079699 376974692 /nfs/dbraw/zinc/97/46/92/376974692.db2.gz YQBRYFLZENJTGI-MJBXVCDLSA-N 2 1 254.418 2.169 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422996515 376913117 /nfs/dbraw/zinc/91/31/17/376913117.db2.gz MJUFXDPOEAQQBU-PMPSAXMXSA-N 2 1 267.461 2.071 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422996515 376913127 /nfs/dbraw/zinc/91/31/27/376913127.db2.gz MJUFXDPOEAQQBU-PMPSAXMXSA-N 3 1 267.461 2.071 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422996515 376913135 /nfs/dbraw/zinc/91/31/35/376913135.db2.gz MJUFXDPOEAQQBU-PMPSAXMXSA-N 3 1 267.461 2.071 20 0 CEADMP Cc1ccccc1[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000562519601 376916558 /nfs/dbraw/zinc/91/65/58/376916558.db2.gz XXGQSIBDKMKVSK-KRWDZBQOSA-N 2 1 274.408 2.368 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422998894 376917082 /nfs/dbraw/zinc/91/70/82/376917082.db2.gz ROMLDXCOMIPYAC-BRWVUGGUSA-N 3 1 281.488 2.332 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422998894 376917090 /nfs/dbraw/zinc/91/70/90/376917090.db2.gz ROMLDXCOMIPYAC-BRWVUGGUSA-N 2 1 281.488 2.332 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422998894 376917100 /nfs/dbraw/zinc/91/71/00/376917100.db2.gz ROMLDXCOMIPYAC-BRWVUGGUSA-N 2 1 281.488 2.332 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422998854 376917426 /nfs/dbraw/zinc/91/74/26/376917426.db2.gz RFASBHNJVRXEFF-HZPDHXFCSA-N 3 1 269.477 2.462 20 0 CEADMP CCc1ccc([C@H](CO)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423004670 376924661 /nfs/dbraw/zinc/92/46/61/376924661.db2.gz PPEXSNKAIPESEB-WFVVYAPDSA-N 2 1 274.408 2.155 20 0 CEADMP Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423014615 376928259 /nfs/dbraw/zinc/92/82/59/376928259.db2.gz JCATYVNJRHZMDX-LLVKDONJSA-N 2 1 287.411 2.128 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC[C@H]2O)C[C@H]1C ZINC000562554670 376931592 /nfs/dbraw/zinc/93/15/92/376931592.db2.gz SKZFGPOXBRRCHH-FXUDXRNXSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC[C@H]2O)C[C@H]1C ZINC000562554670 376931600 /nfs/dbraw/zinc/93/16/00/376931600.db2.gz SKZFGPOXBRRCHH-FXUDXRNXSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC[C@H]2O)C[C@H]1C ZINC000562554670 376931611 /nfs/dbraw/zinc/93/16/11/376931611.db2.gz SKZFGPOXBRRCHH-FXUDXRNXSA-N 2 1 268.445 2.342 20 0 CEADMP C([NH2+][C@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C12CCC(CC1)C2 ZINC000423017771 376933270 /nfs/dbraw/zinc/93/32/70/376933270.db2.gz XBTXKGHIMKQNFG-ILZRDFNYSA-N 2 1 278.440 2.313 20 0 CEADMP CO[C@@H](CC[NH2+][C@H](C)c1c[nH+]ccc1N)C(F)(F)F ZINC000423066667 376957278 /nfs/dbraw/zinc/95/72/78/376957278.db2.gz FDYOHVQUONTPNK-KCJUWKMLSA-N 2 1 277.290 2.112 20 0 CEADMP CC(C)c1nnc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)s1 ZINC000423121306 377017148 /nfs/dbraw/zinc/01/71/48/377017148.db2.gz ARUYNKKKZJLNQB-SNVBAGLBSA-N 2 1 291.424 2.362 20 0 CEADMP C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000423121751 377018037 /nfs/dbraw/zinc/01/80/37/377018037.db2.gz IUMDXRZTNQRQMB-VEABSNGSSA-N 2 1 264.344 2.235 20 0 CEADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000423122246 377020867 /nfs/dbraw/zinc/02/08/67/377020867.db2.gz BYHUADDHOROEET-YDHLFZDLSA-N 2 1 277.387 2.135 20 0 CEADMP Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423133787 377033540 /nfs/dbraw/zinc/03/35/40/377033540.db2.gz CXEXNDWUQCLVDX-KBPBESRZSA-N 2 1 261.413 2.398 20 0 CEADMP COC[C@H](CCC[NH3+])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423092992 376987454 /nfs/dbraw/zinc/98/74/54/376987454.db2.gz FDCBJHJWRPIODV-DOTOQJQBSA-N 2 1 297.487 2.127 20 0 CEADMP COC[C@H](CCC[NH3+])NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423092992 376987457 /nfs/dbraw/zinc/98/74/57/376987457.db2.gz FDCBJHJWRPIODV-DOTOQJQBSA-N 2 1 297.487 2.127 20 0 CEADMP FC(F)Oc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000423105448 376998171 /nfs/dbraw/zinc/99/81/71/376998171.db2.gz NIVQIIPJBAMHSI-FOSCPWQOSA-N 2 1 283.322 2.056 20 0 CEADMP C[C@H]([NH2+]C[C@](C)(CO)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423109573 377003123 /nfs/dbraw/zinc/00/31/23/377003123.db2.gz NTJXNNZWEWMULO-USXIJHARSA-N 2 1 276.424 2.057 20 0 CEADMP Cc1ccncc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423152515 377054304 /nfs/dbraw/zinc/05/43/04/377054304.db2.gz LRFGTABPUAATNE-WMLDXEAASA-N 2 1 269.392 2.438 20 0 CEADMP CC(C)OC(=O)[C@@H]([NH2+]C1CCC(C[NH3+])CC1)C(C)C ZINC000423152528 377054431 /nfs/dbraw/zinc/05/44/31/377054431.db2.gz LSWNPSAKYJFFTH-RUXDESIVSA-N 2 1 270.417 2.070 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](C)c1cc(-c2ccccc2)nn1C ZINC000423208084 377124189 /nfs/dbraw/zinc/12/41/89/377124189.db2.gz YSROMKXGGWFCEU-CYBMUJFWSA-N 2 1 272.396 2.347 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000423270052 377189714 /nfs/dbraw/zinc/18/97/14/377189714.db2.gz WKBPVNWXDHNBHF-XJKSGUPXSA-N 2 1 291.439 2.412 20 0 CEADMP COC(=O)c1coc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000423212947 377128493 /nfs/dbraw/zinc/12/84/93/377128493.db2.gz JHPLZAUVMFSXNH-WOPDTQHZSA-N 2 1 280.368 2.105 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(F)cn1 ZINC000423212971 377129442 /nfs/dbraw/zinc/12/94/42/377129442.db2.gz JKYKDROSQUJEKJ-GRYCIOLGSA-N 2 1 281.375 2.268 20 0 CEADMP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423221083 377136045 /nfs/dbraw/zinc/13/60/45/377136045.db2.gz ZEZUXZJYUMPTRW-QWRGUYRKSA-N 2 1 254.399 2.407 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000423274272 377196820 /nfs/dbraw/zinc/19/68/20/377196820.db2.gz LRLGAOFLEKDJBA-NEPJUHHUSA-N 2 1 266.385 2.210 20 0 CEADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423280702 377207683 /nfs/dbraw/zinc/20/76/83/377207683.db2.gz UJNNPYIPGJPQLG-CZUORRHYSA-N 2 1 280.412 2.346 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1OCCc2sccc21 ZINC000292000154 377220161 /nfs/dbraw/zinc/22/01/61/377220161.db2.gz XOCLCRJOMMDDKH-NHYWBVRUSA-N 2 1 280.437 2.434 20 0 CEADMP CC(C)[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](C)[NH3+] ZINC000423336507 377268035 /nfs/dbraw/zinc/26/80/35/377268035.db2.gz SWRKLNQJTOFVKI-FZKCQIBNSA-N 2 1 297.487 2.090 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2oc(C)nc2C)C1 ZINC000685566009 542158502 /nfs/dbraw/zinc/15/85/02/542158502.db2.gz FDYXDUJFCOOPFN-OAHLLOKOSA-N 2 1 295.427 2.224 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000423302925 377232774 /nfs/dbraw/zinc/23/27/74/377232774.db2.gz WKZNCARTWAYGFF-REWJHTLYSA-N 2 1 270.417 2.071 20 0 CEADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423310708 377239331 /nfs/dbraw/zinc/23/93/31/377239331.db2.gz AUXPZVHWUUMQOG-KBPBESRZSA-N 2 1 264.344 2.149 20 0 CEADMP C[C@H](C[NH3+])CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423311171 377241224 /nfs/dbraw/zinc/24/12/24/377241224.db2.gz SUBQTSUEHGNNQT-NRSFXHEJSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423311171 377241229 /nfs/dbraw/zinc/24/12/29/377241229.db2.gz SUBQTSUEHGNNQT-NRSFXHEJSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423311171 377241234 /nfs/dbraw/zinc/24/12/34/377241234.db2.gz SUBQTSUEHGNNQT-NRSFXHEJSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@H](CN)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423323577 377254898 /nfs/dbraw/zinc/25/48/98/377254898.db2.gz JTQHRTNQRCQTQM-ODIFPOPNSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H](C[NH3+])[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423323577 377254903 /nfs/dbraw/zinc/25/49/03/377254903.db2.gz JTQHRTNQRCQTQM-ODIFPOPNSA-N 3 1 275.440 2.366 20 0 CEADMP C[C@H](C[NH3+])[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423323577 377254907 /nfs/dbraw/zinc/25/49/07/377254907.db2.gz JTQHRTNQRCQTQM-ODIFPOPNSA-N 3 1 275.440 2.366 20 0 CEADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(C)c1OC ZINC000423275629 377199541 /nfs/dbraw/zinc/19/95/41/377199541.db2.gz MAEFWDDQSSCTRP-BXUZGUMPSA-N 2 1 278.396 2.400 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000423279728 377205905 /nfs/dbraw/zinc/20/59/05/377205905.db2.gz SXOVZMNCZBBGIB-VXGBXAGGSA-N 2 1 293.411 2.160 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(CO)cc3)C2)C1 ZINC000292868043 377322858 /nfs/dbraw/zinc/32/28/58/377322858.db2.gz CWPSZIZLDOLGJZ-QGZVFWFLSA-N 2 1 274.408 2.097 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(CO)cc3)C2)C1 ZINC000292868043 377322867 /nfs/dbraw/zinc/32/28/67/377322867.db2.gz CWPSZIZLDOLGJZ-QGZVFWFLSA-N 2 1 274.408 2.097 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(CO)cc3)C2)C1 ZINC000292868043 377322875 /nfs/dbraw/zinc/32/28/75/377322875.db2.gz CWPSZIZLDOLGJZ-QGZVFWFLSA-N 2 1 274.408 2.097 20 0 CEADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC000292801332 377287882 /nfs/dbraw/zinc/28/78/82/377287882.db2.gz BNPYINCGVIIOMA-OAHLLOKOSA-N 2 1 278.396 2.250 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)ccn1 ZINC000564099188 377346918 /nfs/dbraw/zinc/34/69/18/377346918.db2.gz HCBDOFUISVLMPN-QWHCGFSZSA-N 2 1 263.385 2.083 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccn1 ZINC000564099188 377346932 /nfs/dbraw/zinc/34/69/32/377346932.db2.gz HCBDOFUISVLMPN-QWHCGFSZSA-N 2 1 263.385 2.083 20 0 CEADMP C[NH2+]CC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000430922250 377565449 /nfs/dbraw/zinc/56/54/49/377565449.db2.gz YQLGCZBDITXKJO-LLVKDONJSA-N 2 1 266.389 2.185 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c(OC)c1 ZINC000265284215 190172066 /nfs/dbraw/zinc/17/20/66/190172066.db2.gz XZROLOWODZCWJJ-UHFFFAOYSA-N 2 1 280.412 2.477 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(OC)c1 ZINC000265284215 190172067 /nfs/dbraw/zinc/17/20/67/190172067.db2.gz XZROLOWODZCWJJ-UHFFFAOYSA-N 2 1 280.412 2.477 20 0 CEADMP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430957044 377573575 /nfs/dbraw/zinc/57/35/75/377573575.db2.gz NMQPAKMECKZMGF-MRXNPFEDSA-N 2 1 297.487 2.188 20 0 CEADMP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430957044 377573583 /nfs/dbraw/zinc/57/35/83/377573583.db2.gz NMQPAKMECKZMGF-MRXNPFEDSA-N 2 1 297.487 2.188 20 0 CEADMP CN(CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CC(F)(F)F ZINC000166164506 542199676 /nfs/dbraw/zinc/19/96/76/542199676.db2.gz YRWDRAGVSKZLLE-QWHCGFSZSA-N 2 1 293.377 2.087 20 0 CEADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+](CC1CC1)CC1CC1 ZINC000088397737 249305858 /nfs/dbraw/zinc/30/58/58/249305858.db2.gz QEKULYOBFOLDFS-ROUUACIJSA-N 2 1 288.435 2.039 20 0 CEADMP COc1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1 ZINC000288802006 249361027 /nfs/dbraw/zinc/36/10/27/249361027.db2.gz DBQMPUMYPPLWGO-UHFFFAOYSA-N 2 1 293.455 2.011 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CCCO1 ZINC000313341075 249393138 /nfs/dbraw/zinc/39/31/38/249393138.db2.gz MZSIOJMVPPEAQU-MRXNPFEDSA-N 2 1 260.381 2.114 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CCCO1 ZINC000313341075 249393145 /nfs/dbraw/zinc/39/31/45/249393145.db2.gz MZSIOJMVPPEAQU-MRXNPFEDSA-N 2 1 260.381 2.114 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C(F)F)cc2)CCCO1 ZINC000313349821 249394945 /nfs/dbraw/zinc/39/49/45/249394945.db2.gz JDNFUPRYEJHDRG-ZDUSSCGKSA-N 2 1 270.323 2.174 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CCCO1 ZINC000313349821 249394947 /nfs/dbraw/zinc/39/49/47/249394947.db2.gz JDNFUPRYEJHDRG-ZDUSSCGKSA-N 2 1 270.323 2.174 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCCC[NH+]1CCCCC1 ZINC000431640014 377659999 /nfs/dbraw/zinc/65/99/99/377659999.db2.gz ZTJKTTQOCHLEEY-INIZCTEOSA-N 2 1 295.471 2.243 20 0 CEADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)C2CCCCC2)C1 ZINC000567177519 377810590 /nfs/dbraw/zinc/81/05/90/377810590.db2.gz KAHKOJVMBMMXDK-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000435878436 377812781 /nfs/dbraw/zinc/81/27/81/377812781.db2.gz BSKUAFGRGGCSSN-CYBMUJFWSA-N 2 1 262.353 2.162 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000435878436 377812784 /nfs/dbraw/zinc/81/27/84/377812784.db2.gz BSKUAFGRGGCSSN-CYBMUJFWSA-N 2 1 262.353 2.162 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000435874575 377813272 /nfs/dbraw/zinc/81/32/72/377813272.db2.gz LODARLSNVVTPJX-CQSZACIVSA-N 2 1 250.411 2.386 20 0 CEADMP C[NH2+]CCC[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000435874575 377813275 /nfs/dbraw/zinc/81/32/75/377813275.db2.gz LODARLSNVVTPJX-CQSZACIVSA-N 2 1 250.411 2.386 20 0 CEADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)CC(C)C ZINC000567486027 377828828 /nfs/dbraw/zinc/82/88/28/377828828.db2.gz XXLDAWZSELPUFA-JKSUJKDBSA-N 2 1 297.487 2.199 20 0 CEADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442875200 378011394 /nfs/dbraw/zinc/01/13/94/378011394.db2.gz ONQAZSKJERKIEZ-ZSHCYNCHSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]([NH3+])C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000442665099 377978512 /nfs/dbraw/zinc/97/85/12/377978512.db2.gz NZKOFOLTYGBHCF-CJNGLKHVSA-N 2 1 262.397 2.096 20 0 CEADMP C[C@@H]([NH3+])C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000442665099 377978515 /nfs/dbraw/zinc/97/85/15/377978515.db2.gz NZKOFOLTYGBHCF-CJNGLKHVSA-N 2 1 262.397 2.096 20 0 CEADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442756088 377990922 /nfs/dbraw/zinc/99/09/22/377990922.db2.gz DNISPYRAJWUPEK-GRYCIOLGSA-N 2 1 295.814 2.336 20 0 CEADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442756088 377990927 /nfs/dbraw/zinc/99/09/27/377990927.db2.gz DNISPYRAJWUPEK-GRYCIOLGSA-N 2 1 295.814 2.336 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOC1CCCCCC1 ZINC000442759429 377991471 /nfs/dbraw/zinc/99/14/71/377991471.db2.gz QVRHWMDHFVCSBQ-UONOGXRCSA-N 2 1 254.418 2.395 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC000447570840 378118790 /nfs/dbraw/zinc/11/87/90/378118790.db2.gz HTMUQOHIIWTDPI-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000447570840 378118797 /nfs/dbraw/zinc/11/87/97/378118797.db2.gz HTMUQOHIIWTDPI-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000447570840 378118799 /nfs/dbraw/zinc/11/87/99/378118799.db2.gz HTMUQOHIIWTDPI-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000447570840 378118807 /nfs/dbraw/zinc/11/88/07/378118807.db2.gz HTMUQOHIIWTDPI-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000447570840 378118813 /nfs/dbraw/zinc/11/88/13/378118813.db2.gz HTMUQOHIIWTDPI-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCC2(C)C)C[N@H+]1C1CC1 ZINC000449783583 378232883 /nfs/dbraw/zinc/23/28/83/378232883.db2.gz QCPITFCVRFVDSX-ZIAGYGMSSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H](NCC[N@@H+]2CCCC2(C)C)C[NH+]1C1CC1 ZINC000449783583 378232886 /nfs/dbraw/zinc/23/28/86/378232886.db2.gz QCPITFCVRFVDSX-ZIAGYGMSSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H](NCC[N@H+]2CCCC2(C)C)C[NH+]1C1CC1 ZINC000449783583 378232890 /nfs/dbraw/zinc/23/28/90/378232890.db2.gz QCPITFCVRFVDSX-ZIAGYGMSSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000450605470 378496560 /nfs/dbraw/zinc/49/65/60/378496560.db2.gz ZUYHXNDNUOKOMM-CWRNSKLLSA-N 2 1 266.429 2.096 20 0 CEADMP CCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000450605470 378496563 /nfs/dbraw/zinc/49/65/63/378496563.db2.gz ZUYHXNDNUOKOMM-CWRNSKLLSA-N 2 1 266.429 2.096 20 0 CEADMP CCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000450605470 378496567 /nfs/dbraw/zinc/49/65/67/378496567.db2.gz ZUYHXNDNUOKOMM-CWRNSKLLSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](O)c1ccccc1 ZINC000297363765 378683293 /nfs/dbraw/zinc/68/32/93/378683293.db2.gz GYMKTGOZMXMJHE-GUYCJALGSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@@H](Cc1cnccn1)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000453055119 378787102 /nfs/dbraw/zinc/78/71/02/378787102.db2.gz DGHLWSYVCSMFRZ-XHSDSOJGSA-N 2 1 290.455 2.365 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453055085 378788098 /nfs/dbraw/zinc/78/80/98/378788098.db2.gz IUPHUCXNNWWLHK-OWLYRPNTSA-N 2 1 288.435 2.400 20 0 CEADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000453117042 378809357 /nfs/dbraw/zinc/80/93/57/378809357.db2.gz ULDWCYAGRJIAMV-DLBZAZTESA-N 2 1 291.439 2.359 20 0 CEADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346831386 218028785 /nfs/dbraw/zinc/02/87/85/218028785.db2.gz KYSSIYZDMHDWGV-SOUVJXGZSA-N 2 1 290.407 2.263 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346849894 218036583 /nfs/dbraw/zinc/03/65/83/218036583.db2.gz UHMYOEWONWEMQY-BMGDILEWSA-N 2 1 296.418 2.350 20 0 CEADMP C[C@@H](CCN[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000346864244 218041240 /nfs/dbraw/zinc/04/12/40/218041240.db2.gz FSAODYLIVGLADF-OWCLPIDISA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H](CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000346864244 218041242 /nfs/dbraw/zinc/04/12/42/218041242.db2.gz FSAODYLIVGLADF-OWCLPIDISA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H](CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000346864244 218041244 /nfs/dbraw/zinc/04/12/44/218041244.db2.gz FSAODYLIVGLADF-OWCLPIDISA-N 3 1 267.461 2.181 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)n1 ZINC000453394805 378884683 /nfs/dbraw/zinc/88/46/83/378884683.db2.gz HDZJBHBLWIAEBY-CQSZACIVSA-N 2 1 291.439 2.485 20 0 CEADMP C[N@@H+](CCCC[NH2+]C1CCN(CC(F)F)CC1)C1CC1 ZINC000453393734 378885477 /nfs/dbraw/zinc/88/54/77/378885477.db2.gz GBETWTWEXIBUDS-UHFFFAOYSA-N 2 1 289.414 2.180 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453398173 378886973 /nfs/dbraw/zinc/88/69/73/378886973.db2.gz KGZVFMXKUJFWCC-HNNXBMFYSA-N 2 1 276.428 2.262 20 0 CEADMP CC1(C)C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000453449151 378907222 /nfs/dbraw/zinc/90/72/22/378907222.db2.gz ZQJXRFLWOJPCCS-RBSFLKMASA-N 2 1 266.429 2.408 20 0 CEADMP COC(=O)c1coc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000453593563 378916439 /nfs/dbraw/zinc/91/64/39/378916439.db2.gz GSMMDXZYKLQXDA-UHFFFAOYSA-N 2 1 280.368 2.030 20 0 CEADMP CNC(=O)c1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453597112 378916622 /nfs/dbraw/zinc/91/66/22/378916622.db2.gz NDEDEDDEAVLYCV-UHFFFAOYSA-N 2 1 289.423 2.010 20 0 CEADMP COCc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)o1 ZINC000453599400 378917739 /nfs/dbraw/zinc/91/77/39/378917739.db2.gz RAJNQCRSSZKZIZ-UHFFFAOYSA-N 2 1 266.385 2.390 20 0 CEADMP C[C@@H](c1ccsc1)[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346996895 218085494 /nfs/dbraw/zinc/08/54/94/218085494.db2.gz XNZDBGMUCKMIJD-LBPRGKRZSA-N 2 1 267.442 2.164 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000347047921 218104568 /nfs/dbraw/zinc/10/45/68/218104568.db2.gz PBEFGRMOVODBEB-HOCLYGCPSA-N 2 1 284.407 2.432 20 0 CEADMP COCCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000347088498 218117513 /nfs/dbraw/zinc/11/75/13/218117513.db2.gz FEPWTOHRSPKVJC-GOEBONIOSA-N 2 1 292.423 2.271 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000278602137 194064429 /nfs/dbraw/zinc/06/44/29/194064429.db2.gz HXAYAXNYYROONH-UHFFFAOYSA-N 2 1 285.351 2.355 20 0 CEADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347180590 218147290 /nfs/dbraw/zinc/14/72/90/218147290.db2.gz UZGFIQCZESDMOA-KRWDZBQOSA-N 2 1 298.434 2.329 20 0 CEADMP CCC[N@H+](Cc1cccc(O)c1OC)C1CC[NH2+]CC1 ZINC000347183384 218147628 /nfs/dbraw/zinc/14/76/28/218147628.db2.gz WVDHANSOTMELPH-UHFFFAOYSA-N 2 1 278.396 2.365 20 0 CEADMP CCC[N@@H+](Cc1cccc(O)c1OC)C1CC[NH2+]CC1 ZINC000347183384 218147631 /nfs/dbraw/zinc/14/76/31/218147631.db2.gz WVDHANSOTMELPH-UHFFFAOYSA-N 2 1 278.396 2.365 20 0 CEADMP COc1ccsc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347211545 218156183 /nfs/dbraw/zinc/15/61/83/218156183.db2.gz OWXITMPVLOLLFX-MNOVXSKESA-N 2 1 254.399 2.316 20 0 CEADMP COC(=O)N1CCC([NH2+]CC[NH2+]C2CCCCCC2)CC1 ZINC000497056091 379039272 /nfs/dbraw/zinc/03/92/72/379039272.db2.gz JSQHLVHQDKEGSJ-UHFFFAOYSA-N 2 1 297.443 2.119 20 0 CEADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC[C@H]1CCC[N@H+]1C ZINC000347338816 218194538 /nfs/dbraw/zinc/19/45/38/218194538.db2.gz BVLDSRFKLDHCSW-BZUAXINKSA-N 2 1 265.445 2.029 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC2CCOCC2)[C@@H](C)C1 ZINC000347434742 218233761 /nfs/dbraw/zinc/23/37/61/218233761.db2.gz UHLIHEWHPKMLJZ-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCCC2)[C@@H](C)C1 ZINC000347414051 218226864 /nfs/dbraw/zinc/22/68/64/218226864.db2.gz OCZCYDJKFBITQF-GJZGRUSLSA-N 2 1 268.445 2.249 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000514612778 379132892 /nfs/dbraw/zinc/13/28/92/379132892.db2.gz YAJXNBBYJFFFSE-GJZGRUSLSA-N 2 1 277.412 2.101 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000514612778 379132897 /nfs/dbraw/zinc/13/28/97/379132897.db2.gz YAJXNBBYJFFFSE-GJZGRUSLSA-N 2 1 277.412 2.101 20 0 CEADMP CN(C)[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000514930787 379165603 /nfs/dbraw/zinc/16/56/03/379165603.db2.gz SELHVZGQUFHNAN-QLFBSQMISA-N 2 1 281.831 2.412 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@@H]1CCCCO1 ZINC000347477514 218249919 /nfs/dbraw/zinc/24/99/19/218249919.db2.gz CPNFPYNGXMEJQQ-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@@H]1CCCCO1 ZINC000347477514 218249922 /nfs/dbraw/zinc/24/99/22/218249922.db2.gz CPNFPYNGXMEJQQ-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP COC1CC([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000347481545 218250718 /nfs/dbraw/zinc/25/07/18/218250718.db2.gz JHRZZMFJERBEAQ-NOZYUVCASA-N 2 1 266.429 2.406 20 0 CEADMP COC1CC([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000347481547 218251183 /nfs/dbraw/zinc/25/11/83/218251183.db2.gz JHRZZMFJERBEAQ-RNDNHVFHSA-N 2 1 266.429 2.406 20 0 CEADMP CCC[N@@H+](CC1CCCCC1)C[C@@](C)(O)C[NH2+]C ZINC000516479819 379285040 /nfs/dbraw/zinc/28/50/40/379285040.db2.gz YRBAEIGMGYPHGH-HNNXBMFYSA-N 2 1 256.434 2.249 20 0 CEADMP CC(C)CCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000516207823 379264387 /nfs/dbraw/zinc/26/43/87/379264387.db2.gz PMKBJNFTIFZFQZ-UHFFFAOYSA-N 2 1 290.411 2.208 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000518607729 379396511 /nfs/dbraw/zinc/39/65/11/379396511.db2.gz MBBYKFGORWTHHO-WMZOPIPTSA-N 2 1 299.418 2.202 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000518607729 379396518 /nfs/dbraw/zinc/39/65/18/379396518.db2.gz MBBYKFGORWTHHO-WMZOPIPTSA-N 2 1 299.418 2.202 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)CC2 ZINC000521225650 379519956 /nfs/dbraw/zinc/51/99/56/379519956.db2.gz QEDKPUYCVXTWBS-GXTWGEPZSA-N 2 1 299.422 2.480 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1nnc2ccccn21)C(C)C ZINC000347673879 218317303 /nfs/dbraw/zinc/31/73/03/218317303.db2.gz MLOBWQAFJRBSBF-HNNXBMFYSA-N 2 1 298.394 2.221 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000305158683 379666375 /nfs/dbraw/zinc/66/63/75/379666375.db2.gz WNGUCQSDIKTKLX-DJIMGWMZSA-N 2 1 276.424 2.082 20 0 CEADMP COc1cc(C)nc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000347692810 218324413 /nfs/dbraw/zinc/32/44/13/218324413.db2.gz VZPQHEIAWONFAK-GFCCVEGCSA-N 2 1 288.395 2.329 20 0 CEADMP CC(C)c1ncc2c(n1)CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC000527617307 379778621 /nfs/dbraw/zinc/77/86/21/379778621.db2.gz FFLCTWIVRSRHQH-ZIAGYGMSSA-N 2 1 288.439 2.346 20 0 CEADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000527983635 379866190 /nfs/dbraw/zinc/86/61/90/379866190.db2.gz BBGMQWUMMALUSP-XHSDSOJGSA-N 2 1 259.397 2.352 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000347779624 218353948 /nfs/dbraw/zinc/35/39/48/218353948.db2.gz FOLOFBUYKAGKSX-HUUCEWRRSA-N 2 1 279.428 2.311 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000347779624 218353950 /nfs/dbraw/zinc/35/39/50/218353950.db2.gz FOLOFBUYKAGKSX-HUUCEWRRSA-N 2 1 279.428 2.311 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCC2)[C@@H]2CCC[C@H]21 ZINC000527999821 379871028 /nfs/dbraw/zinc/87/10/28/379871028.db2.gz HROSAXFDWONWLO-XLAORIBOSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C2CCCC2)[C@@H]2CCC[C@H]21 ZINC000527999821 379871032 /nfs/dbraw/zinc/87/10/32/379871032.db2.gz HROSAXFDWONWLO-XLAORIBOSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C2CCCC2)[C@@H]2CCC[C@H]21 ZINC000527999821 379871041 /nfs/dbraw/zinc/87/10/41/379871041.db2.gz HROSAXFDWONWLO-XLAORIBOSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)[C@@H]2CCC[C@H]21 ZINC000527999821 379871046 /nfs/dbraw/zinc/87/10/46/379871046.db2.gz HROSAXFDWONWLO-XLAORIBOSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)[C@@H]2CCC[C@H]21 ZINC000527999821 379871052 /nfs/dbraw/zinc/87/10/52/379871052.db2.gz HROSAXFDWONWLO-XLAORIBOSA-N 2 1 291.483 2.466 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348090066 284810395 /nfs/dbraw/zinc/81/03/95/284810395.db2.gz VBQWEIVEQCRVIZ-WOPDTQHZSA-N 2 1 282.350 2.416 20 0 CEADMP C[NH+](C)Cc1ccsc1C(=O)NCC[NH+]1CCCCC1 ZINC000268052496 190372804 /nfs/dbraw/zinc/37/28/04/190372804.db2.gz WHOZKLOEZPVBNT-UHFFFAOYSA-N 2 1 295.452 2.025 20 0 CEADMP Cc1nc2c(c(N[C@@H]3CC[N@H+](C4CC4)C3)n1)CCCC2 ZINC000542948817 380325351 /nfs/dbraw/zinc/32/53/51/380325351.db2.gz CBQLSZLUONBWNQ-GFCCVEGCSA-N 2 1 272.396 2.312 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccs2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000334430477 380401295 /nfs/dbraw/zinc/40/12/95/380401295.db2.gz JPYYUPPGUCSFBK-ZBFHGGJFSA-N 2 1 293.480 2.206 20 0 CEADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000492441300 380557561 /nfs/dbraw/zinc/55/75/61/380557561.db2.gz ZPKCDKGBNXAIGM-HZSPNIEDSA-N 2 1 299.459 2.314 20 0 CEADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000492441300 380557566 /nfs/dbraw/zinc/55/75/66/380557566.db2.gz ZPKCDKGBNXAIGM-HZSPNIEDSA-N 2 1 299.459 2.314 20 0 CEADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000492441300 380557568 /nfs/dbraw/zinc/55/75/68/380557568.db2.gz ZPKCDKGBNXAIGM-HZSPNIEDSA-N 2 1 299.459 2.314 20 0 CEADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000492441300 380557572 /nfs/dbraw/zinc/55/75/72/380557572.db2.gz ZPKCDKGBNXAIGM-HZSPNIEDSA-N 2 1 299.459 2.314 20 0 CEADMP C[C@@H]1C[C@H](Nc2nc3cccc(F)c3n2C)CC[N@H+]1C ZINC000334553973 380580686 /nfs/dbraw/zinc/58/06/86/380580686.db2.gz GLPNTGUKXMCGJT-GHMZBOCLSA-N 2 1 276.359 2.029 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000552098983 380684177 /nfs/dbraw/zinc/68/41/77/380684177.db2.gz VIUMSCBLBYLEKZ-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000552098983 380684180 /nfs/dbraw/zinc/68/41/80/380684180.db2.gz VIUMSCBLBYLEKZ-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183956114 542296843 /nfs/dbraw/zinc/29/68/43/542296843.db2.gz MZVPNHXUYWGYDW-GFCCVEGCSA-N 2 1 264.417 2.491 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000045692347 542342984 /nfs/dbraw/zinc/34/29/84/542342984.db2.gz FQSIBNHUDQODKB-HNNXBMFYSA-N 2 1 290.455 2.370 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000346452733 285013518 /nfs/dbraw/zinc/01/35/18/285013518.db2.gz GSALXGOSPPQJAO-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP Fc1ccc(/C=C/C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000335319683 208184560 /nfs/dbraw/zinc/18/45/60/208184560.db2.gz HJWYJUPDAPJXJJ-VAMSJOSJSA-N 2 1 260.356 2.380 20 0 CEADMP Fc1ccc(/C=C/C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000335319683 208184565 /nfs/dbraw/zinc/18/45/65/208184565.db2.gz HJWYJUPDAPJXJJ-VAMSJOSJSA-N 2 1 260.356 2.380 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1cccnc1 ZINC000281158187 195127822 /nfs/dbraw/zinc/12/78/22/195127822.db2.gz FYROMSJPYDUYTJ-UHFFFAOYSA-N 2 1 299.422 2.389 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1cccnc1 ZINC000281158187 195127823 /nfs/dbraw/zinc/12/78/23/195127823.db2.gz FYROMSJPYDUYTJ-UHFFFAOYSA-N 2 1 299.422 2.389 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000289294040 197287438 /nfs/dbraw/zinc/28/74/38/197287438.db2.gz RJQKYSGDGDVTEN-CPUCHLNUSA-N 2 1 274.408 2.281 20 0 CEADMP OC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000336605168 285237640 /nfs/dbraw/zinc/23/76/40/285237640.db2.gz ZDLCNYGLYGFNGG-HOCLYGCPSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCC1 ZINC000336605168 285237642 /nfs/dbraw/zinc/23/76/42/285237642.db2.gz ZDLCNYGLYGFNGG-HOCLYGCPSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCC1 ZINC000336605168 285237644 /nfs/dbraw/zinc/23/76/44/285237644.db2.gz ZDLCNYGLYGFNGG-HOCLYGCPSA-N 2 1 278.440 2.240 20 0 CEADMP C[C@@H]([NH2+]C1(CO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357238625 533328711 /nfs/dbraw/zinc/32/87/11/533328711.db2.gz QNYHWLVUASQXFJ-ZBFHGGJFSA-N 2 1 274.408 2.012 20 0 CEADMP c1c[nH+]c(N2CCN(c3cc[nH+]c4ccccc43)CC2)[nH]1 ZINC000290944657 285425586 /nfs/dbraw/zinc/42/55/86/285425586.db2.gz LXXXGGCWMNBIHQ-UHFFFAOYSA-N 2 1 279.347 2.285 20 0 CEADMP Cc1ccc(C(C)(C)C[N@@H+](C)CCOCC[NH3+])cc1 ZINC000357065277 533625413 /nfs/dbraw/zinc/62/54/13/533625413.db2.gz ACENZTJUFBXPAG-UHFFFAOYSA-N 2 1 264.413 2.180 20 0 CEADMP Cc1cc(N2CCC([NH2+]Cc3cc[nH]c3)CC2)nc(C)[nH+]1 ZINC000086256566 135039830 /nfs/dbraw/zinc/03/98/30/135039830.db2.gz DZACKLNCZQGXMQ-UHFFFAOYSA-N 2 1 285.395 2.180 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)[C@@H](C)C1 ZINC000246280497 394513400 /nfs/dbraw/zinc/51/34/00/394513400.db2.gz BMTLEBXZJPLIHJ-XUWVNRHRSA-N 2 1 298.496 2.361 20 0 CEADMP Cc1nn(C)c2ncc(C[NH2+]CCC[N@@H+](C)C(C)C)cc12 ZINC000225794937 394470815 /nfs/dbraw/zinc/47/08/15/394470815.db2.gz MDAFBDLQDBXSPC-UHFFFAOYSA-N 2 1 289.427 2.097 20 0 CEADMP Cc1nn(C)c2ncc(C[NH2+]CCC[N@H+](C)C(C)C)cc12 ZINC000225794937 394470819 /nfs/dbraw/zinc/47/08/19/394470819.db2.gz MDAFBDLQDBXSPC-UHFFFAOYSA-N 2 1 289.427 2.097 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000246332369 394513997 /nfs/dbraw/zinc/51/39/97/394513997.db2.gz GEBRWVNBWPAXJM-SUJAAXHWSA-N 2 1 298.496 2.359 20 0 CEADMP C[C@]1(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]C1 ZINC000227823120 394474652 /nfs/dbraw/zinc/47/46/52/394474652.db2.gz GMUVHHSWFREJIP-MNOVXSKESA-N 2 1 250.308 2.260 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]C1 ZINC000227823120 394474654 /nfs/dbraw/zinc/47/46/54/394474654.db2.gz GMUVHHSWFREJIP-MNOVXSKESA-N 2 1 250.308 2.260 20 0 CEADMP CSCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246429670 394515597 /nfs/dbraw/zinc/51/55/97/394515597.db2.gz CNDAMIBQQKHLKZ-JSGCOSHPSA-N 2 1 254.443 2.298 20 0 CEADMP CSCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246429670 394515602 /nfs/dbraw/zinc/51/56/02/394515602.db2.gz CNDAMIBQQKHLKZ-JSGCOSHPSA-N 2 1 254.443 2.298 20 0 CEADMP CSCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246429670 394515605 /nfs/dbraw/zinc/51/56/05/394515605.db2.gz CNDAMIBQQKHLKZ-JSGCOSHPSA-N 2 1 254.443 2.298 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCOCC(F)(F)F ZINC000308629680 394529009 /nfs/dbraw/zinc/52/90/09/394529009.db2.gz CMVBCSYIAIBNSX-UHFFFAOYSA-N 2 1 282.350 2.419 20 0 CEADMP CC[C@H](C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+](C)C ZINC000248402989 394539630 /nfs/dbraw/zinc/53/96/30/394539630.db2.gz NYYJQFJBGGWNQY-IJEWVQPXSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCSC3)C2)C1 ZINC000334204117 394663614 /nfs/dbraw/zinc/66/36/14/394663614.db2.gz RVJYWVJNYLGRDR-KGLIPLIRSA-N 2 1 254.443 2.157 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CCSC3)C2)C1 ZINC000334204117 394663617 /nfs/dbraw/zinc/66/36/17/394663617.db2.gz RVJYWVJNYLGRDR-KGLIPLIRSA-N 2 1 254.443 2.157 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CCSC3)C2)C1 ZINC000334204117 394663623 /nfs/dbraw/zinc/66/36/23/394663623.db2.gz RVJYWVJNYLGRDR-KGLIPLIRSA-N 2 1 254.443 2.157 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCSC3)C2)C1 ZINC000334204116 394663769 /nfs/dbraw/zinc/66/37/69/394663769.db2.gz RVJYWVJNYLGRDR-KBPBESRZSA-N 2 1 254.443 2.157 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CCSC3)C2)C1 ZINC000334204116 394663773 /nfs/dbraw/zinc/66/37/73/394663773.db2.gz RVJYWVJNYLGRDR-KBPBESRZSA-N 2 1 254.443 2.157 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CCSC3)C2)C1 ZINC000334204116 394663778 /nfs/dbraw/zinc/66/37/78/394663778.db2.gz RVJYWVJNYLGRDR-KBPBESRZSA-N 2 1 254.443 2.157 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261546689 394601930 /nfs/dbraw/zinc/60/19/30/394601930.db2.gz LFPZLQJKFIOPBX-MAUKXSAKSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]([NH2+]Cc1cc(Br)cs1)[C@H](C)[NH3+] ZINC000261529111 394602128 /nfs/dbraw/zinc/60/21/28/394602128.db2.gz PEYGLBNTGPBYKM-NKWVEPMBSA-N 2 1 263.204 2.336 20 0 CEADMP COC1([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CCCC1 ZINC000421838232 394611582 /nfs/dbraw/zinc/61/15/82/394611582.db2.gz UYUQZJKZDPXBGC-HZPDHXFCSA-N 2 1 298.471 2.161 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000356782655 394612606 /nfs/dbraw/zinc/61/26/06/394612606.db2.gz TWMVQSOCMBAXIT-HUUCEWRRSA-N 2 1 283.460 2.096 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000356802062 394618521 /nfs/dbraw/zinc/61/85/21/394618521.db2.gz GHKOUGVGGYMHNL-CABCVRRESA-N 2 1 297.487 2.486 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@H](C)C1 ZINC000356822934 394623515 /nfs/dbraw/zinc/62/35/15/394623515.db2.gz OMSLEBYIHPHSFI-ILXRZTDVSA-N 2 1 297.487 2.342 20 0 CEADMP [NH3+]CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000263044351 394626411 /nfs/dbraw/zinc/62/64/11/394626411.db2.gz TUYIUXSNNYQSQW-UHFFFAOYSA-N 2 1 299.212 2.003 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263089803 394626640 /nfs/dbraw/zinc/62/66/40/394626640.db2.gz YGTZKCOQSBJJPA-DLTWYDFYSA-N 2 1 295.471 2.273 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1cc(C)nc(C)c1 ZINC000421926830 394641134 /nfs/dbraw/zinc/64/11/34/394641134.db2.gz YJYDDOIRJYIYRT-HNNXBMFYSA-N 2 1 275.396 2.189 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C12CCCC2 ZINC000085679043 394643894 /nfs/dbraw/zinc/64/38/94/394643894.db2.gz MSHWIXAXYDGPKP-CABCVRRESA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422708145 394731112 /nfs/dbraw/zinc/73/11/12/394731112.db2.gz XCAACSDHUPVOKX-QLFBSQMISA-N 2 1 254.418 2.048 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422712353 394734114 /nfs/dbraw/zinc/73/41/14/394734114.db2.gz OAKSMUHQJIXSAX-JKSUJKDBSA-N 3 1 269.477 2.476 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)C[NH+]1CCCCC1 ZINC000422712479 394734146 /nfs/dbraw/zinc/73/41/46/394734146.db2.gz OHAAUAMVBSLJMR-BZUAXINKSA-N 2 1 267.461 2.086 20 0 CEADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000422716260 394737148 /nfs/dbraw/zinc/73/71/48/394737148.db2.gz UBBYNNPDXWRLLO-FCLJQHQZSA-N 2 1 291.414 2.301 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422723253 394741247 /nfs/dbraw/zinc/74/12/47/394741247.db2.gz QQDNPDBGDJDYJM-HOCLYGCPSA-N 3 1 278.444 2.482 20 0 CEADMP CC1CCN(C(=[NH2+])NCC[N@H+]2CCCC2(C)C)CC1 ZINC000414364396 394742219 /nfs/dbraw/zinc/74/22/19/394742219.db2.gz YFNDPMIGIMRQQE-UHFFFAOYSA-N 2 1 266.433 2.117 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414706480 394749283 /nfs/dbraw/zinc/74/92/83/394749283.db2.gz MTGAUMWAKDNJAV-HRCADAONSA-N 2 1 295.471 2.084 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000414070419 394693912 /nfs/dbraw/zinc/69/39/12/394693912.db2.gz JWNHCUQXPULBAG-KBPBESRZSA-N 2 1 279.428 2.341 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000414070419 394693916 /nfs/dbraw/zinc/69/39/16/394693916.db2.gz JWNHCUQXPULBAG-KBPBESRZSA-N 2 1 279.428 2.341 20 0 CEADMP CC[N@H+](CC[NH2+][C@H](C)Cc1ccc(OC)nc1)C(C)C ZINC000414074056 394695384 /nfs/dbraw/zinc/69/53/84/394695384.db2.gz MOJPOMWMDWVIJD-CQSZACIVSA-N 2 1 279.428 2.341 20 0 CEADMP CC[N@@H+](CC[NH2+][C@H](C)Cc1ccc(OC)nc1)C(C)C ZINC000414074056 394695387 /nfs/dbraw/zinc/69/53/87/394695387.db2.gz MOJPOMWMDWVIJD-CQSZACIVSA-N 2 1 279.428 2.341 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cn1 ZINC000414074451 394695647 /nfs/dbraw/zinc/69/56/47/394695647.db2.gz WUULYSFYZUSGMG-CYBMUJFWSA-N 2 1 289.423 2.238 20 0 CEADMP CC(C)N1CCCC[C@H]1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000334522072 394695717 /nfs/dbraw/zinc/69/57/17/394695717.db2.gz IGMSPAUZYISRCL-JKSUJKDBSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@@]2(CCOC2)C1 ZINC000334522072 394695720 /nfs/dbraw/zinc/69/57/20/394695720.db2.gz IGMSPAUZYISRCL-JKSUJKDBSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@@]2(CCOC2)C1 ZINC000334522072 394695723 /nfs/dbraw/zinc/69/57/23/394695723.db2.gz IGMSPAUZYISRCL-JKSUJKDBSA-N 2 1 266.429 2.362 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000357364426 394698534 /nfs/dbraw/zinc/69/85/34/394698534.db2.gz MNEXFMUKWJEWMF-HNNXBMFYSA-N 2 1 297.487 2.391 20 0 CEADMP C(C[N@H+]1CCCC2(CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000334783726 394710300 /nfs/dbraw/zinc/71/03/00/394710300.db2.gz ALTIXDBDCZWWQT-OAHLLOKOSA-N 2 1 266.429 2.269 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)cn1 ZINC000414133203 394712169 /nfs/dbraw/zinc/71/21/69/394712169.db2.gz AURCEDSNAPRFLH-CQSZACIVSA-N 2 1 291.439 2.485 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)cn1 ZINC000414133203 394712172 /nfs/dbraw/zinc/71/21/72/394712172.db2.gz AURCEDSNAPRFLH-CQSZACIVSA-N 2 1 291.439 2.485 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cn1 ZINC000422563821 394713001 /nfs/dbraw/zinc/71/30/01/394713001.db2.gz UNBHKKBDLCEQAG-FMKPAKJESA-N 2 1 278.444 2.344 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000422735098 394747587 /nfs/dbraw/zinc/74/75/87/394747587.db2.gz VISUZFGZZFJRQQ-FZMZJTMJSA-N 2 1 252.789 2.470 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC[NH+]3CCC3)CC2)C1 ZINC000358339692 394718771 /nfs/dbraw/zinc/71/87/71/394718771.db2.gz JUKMCCUROGYOCJ-NVXWUHKLSA-N 2 1 279.472 2.325 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000358349375 394719232 /nfs/dbraw/zinc/71/92/32/394719232.db2.gz XSQZNWKUYRYGFC-SOUVJXGZSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000358349375 394719234 /nfs/dbraw/zinc/71/92/34/394719234.db2.gz XSQZNWKUYRYGFC-SOUVJXGZSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000358396841 394720614 /nfs/dbraw/zinc/72/06/14/394720614.db2.gz JWGFIAYDDOHLCR-MAUKXSAKSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000358396841 394720616 /nfs/dbraw/zinc/72/06/16/394720616.db2.gz JWGFIAYDDOHLCR-MAUKXSAKSA-N 2 1 287.451 2.191 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414690741 394748074 /nfs/dbraw/zinc/74/80/74/394748074.db2.gz IGKIWGJBOIMQQX-XHSDSOJGSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)[C@@H]2CCC[C@H]21 ZINC000414189052 394725486 /nfs/dbraw/zinc/72/54/86/394725486.db2.gz QWYDWRUWKBJNIC-YESZJQIVSA-N 3 1 284.407 2.297 20 0 CEADMP O=C1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1c1ccccc1 ZINC000422740847 394752023 /nfs/dbraw/zinc/75/20/23/394752023.db2.gz NLAMEOMUDSITMS-KJFZJZGVSA-N 2 1 299.418 2.055 20 0 CEADMP C[C@H]([NH3+])CCN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414818754 394752148 /nfs/dbraw/zinc/75/21/48/394752148.db2.gz FVJFVEQBRUBGOO-DZKIICNBSA-N 2 1 261.413 2.149 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414818754 394752153 /nfs/dbraw/zinc/75/21/53/394752153.db2.gz FVJFVEQBRUBGOO-DZKIICNBSA-N 2 1 261.413 2.149 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H]2CCCCC[C@H]2N)CC1 ZINC000422741555 394752246 /nfs/dbraw/zinc/75/22/46/394752246.db2.gz OVYRBCARCYSENU-CVEARBPZSA-N 2 1 267.461 2.358 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC[C@H](C)[NH3+])C1 ZINC000414818756 394752407 /nfs/dbraw/zinc/75/24/07/394752407.db2.gz FVJFVEQBRUBGOO-LZWOXQAQSA-N 2 1 261.413 2.149 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC000414818756 394752413 /nfs/dbraw/zinc/75/24/13/394752413.db2.gz FVJFVEQBRUBGOO-LZWOXQAQSA-N 2 1 261.413 2.149 20 0 CEADMP C[C@H]([NH2+]Cc1cc(F)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000414822565 394753141 /nfs/dbraw/zinc/75/31/41/394753141.db2.gz AMIKSNVPPXSKPP-WDEREUQCSA-N 2 1 254.324 2.443 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422750490 394758640 /nfs/dbraw/zinc/75/86/40/394758640.db2.gz BBVFVEWPRRQWDE-XGUBFFRZSA-N 2 1 267.461 2.212 20 0 CEADMP COc1cc2c(c(C[NH2+]C[C@@H]3CCC[NH2+]C3)c1)O[C@H](C)C2 ZINC000414830551 394758840 /nfs/dbraw/zinc/75/88/40/394758840.db2.gz OTIYHDMZQLHLKB-CHWSQXEVSA-N 2 1 290.407 2.108 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(N(C)C)CCCCC1 ZINC000422751667 394760046 /nfs/dbraw/zinc/76/00/46/394760046.db2.gz GJCWKJMALUMGED-LSDHHAIUSA-N 2 1 267.461 2.229 20 0 CEADMP CCn1nc(C[NH2+]C[C@H](C)C[NH2+]C)c2ccccc21 ZINC000414832229 394760409 /nfs/dbraw/zinc/76/04/09/394760409.db2.gz FEGFPQGNOXZJDF-GFCCVEGCSA-N 2 1 260.385 2.001 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422755313 394761848 /nfs/dbraw/zinc/76/18/48/394761848.db2.gz BBZDFXKICBDULP-IUODEOHRSA-N 2 1 262.372 2.445 20 0 CEADMP Cc1nn(C)c2ncc(C[NH2+]CC3([NH3+])CCCCC3)cc12 ZINC000414843751 394766834 /nfs/dbraw/zinc/76/68/34/394766834.db2.gz OKIZJGLECXYAEI-UHFFFAOYSA-N 2 1 287.411 2.028 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414856416 394774063 /nfs/dbraw/zinc/77/40/63/394774063.db2.gz YZVYCQMPLPONLB-CYBMUJFWSA-N 2 1 260.385 2.036 20 0 CEADMP COc1ccc(C)cc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414858833 394774590 /nfs/dbraw/zinc/77/45/90/394774590.db2.gz SNDGOTHUXUMXMU-KGLIPLIRSA-N 2 1 262.397 2.481 20 0 CEADMP COc1ccc(C)cc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414858834 394775211 /nfs/dbraw/zinc/77/52/11/394775211.db2.gz SNDGOTHUXUMXMU-UONOGXRCSA-N 2 1 262.397 2.481 20 0 CEADMP C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1c[nH+]ccc1N ZINC000422775753 394775494 /nfs/dbraw/zinc/77/54/94/394775494.db2.gz CFLBFADLHSIEHH-HIFRSBDPSA-N 2 1 285.391 2.311 20 0 CEADMP CCc1ncc(C[NH2+]CCC[NH2+]Cc2cccnc2)s1 ZINC000414878488 394784275 /nfs/dbraw/zinc/78/42/75/394784275.db2.gz NTPCAPYZYFIINN-UHFFFAOYSA-N 2 1 290.436 2.370 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C12CCC2 ZINC000422786532 394785044 /nfs/dbraw/zinc/78/50/44/394785044.db2.gz SKFVWFMPMLHRRP-ZQDZILKHSA-N 2 1 266.429 2.454 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CCC1 ZINC000414883234 394786490 /nfs/dbraw/zinc/78/64/90/394786490.db2.gz NAIUZPYXJLUJTA-UHFFFAOYSA-N 2 1 274.343 2.187 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC2([NH3+])CCC2)C1 ZINC000414884038 394787867 /nfs/dbraw/zinc/78/78/67/394787867.db2.gz VKLOJISFRAHVKQ-GOEBONIOSA-N 2 1 273.424 2.293 20 0 CEADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000414884038 394787872 /nfs/dbraw/zinc/78/78/72/394787872.db2.gz VKLOJISFRAHVKQ-GOEBONIOSA-N 2 1 273.424 2.293 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000422791963 394789715 /nfs/dbraw/zinc/78/97/15/394789715.db2.gz YWWDSCAKGSTYPM-IUODEOHRSA-N 2 1 266.360 2.182 20 0 CEADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422794355 394791327 /nfs/dbraw/zinc/79/13/27/394791327.db2.gz UFFBJBWQBLOXID-IAGOWNOFSA-N 3 1 275.440 2.498 20 0 CEADMP COc1ccc(O[C@@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422795784 394792729 /nfs/dbraw/zinc/79/27/29/394792729.db2.gz WPWSSJABVNMDAB-WOSRLPQWSA-N 2 1 278.396 2.193 20 0 CEADMP COc1cc2c(cc1C[NH2+][C@@H]1CCC[NH2+]CC1)O[C@@H](C)C2 ZINC000414911358 394801185 /nfs/dbraw/zinc/80/11/85/394801185.db2.gz GOVWHBDDWUMSLF-SWLSCSKDSA-N 2 1 290.407 2.250 20 0 CEADMP CN(C)c1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c2ccccc2n1 ZINC000422810031 394803258 /nfs/dbraw/zinc/80/32/58/394803258.db2.gz QVVOJBGQJLEGAP-GOEBONIOSA-N 2 1 284.407 2.270 20 0 CEADMP C[C@@]1(C[NH2+]Cc2cc(O)cc(F)c2)CCC[NH2+]C1 ZINC000414919814 394803945 /nfs/dbraw/zinc/80/39/45/394803945.db2.gz XUZALOSUEQMGSE-CQSZACIVSA-N 2 1 252.333 2.011 20 0 CEADMP COc1cc(OC)c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000414925800 394805889 /nfs/dbraw/zinc/80/58/89/394805889.db2.gz MGJAQRFRADVUSK-VXGBXAGGSA-N 2 1 294.395 2.072 20 0 CEADMP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000414927829 394806928 /nfs/dbraw/zinc/80/69/28/394806928.db2.gz ACEPJZGOSXHNCF-DGCLKSJQSA-N 2 1 266.360 2.455 20 0 CEADMP C[C@H](NCCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422815288 394807062 /nfs/dbraw/zinc/80/70/62/394807062.db2.gz BGXNJXUCMAVXLK-RDJZCZTQSA-N 2 1 298.434 2.204 20 0 CEADMP C[C@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422815288 394807065 /nfs/dbraw/zinc/80/70/65/394807065.db2.gz BGXNJXUCMAVXLK-RDJZCZTQSA-N 2 1 298.434 2.204 20 0 CEADMP C[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000422820783 394811436 /nfs/dbraw/zinc/81/14/36/394811436.db2.gz SFHOKWOCMJKVQN-YOEHRIQHSA-N 2 1 284.407 2.145 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000422823759 394812897 /nfs/dbraw/zinc/81/28/97/394812897.db2.gz FDVHKMJOXKZJAO-CVEARBPZSA-N 2 1 288.439 2.431 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414940309 394812937 /nfs/dbraw/zinc/81/29/37/394812937.db2.gz XOBKZKWMAJNZIP-CZUORRHYSA-N 2 1 274.408 2.142 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000414944884 394815314 /nfs/dbraw/zinc/81/53/14/394815314.db2.gz QQEFNJOQGZULPZ-MLGOLLRUSA-N 2 1 288.370 2.099 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422829809 394816572 /nfs/dbraw/zinc/81/65/72/394816572.db2.gz CBBHSGJVKFIHSA-OLZOCXBDSA-N 3 1 253.434 2.109 20 0 CEADMP COc1cc2c(c(C[NH2+]C3(C)CC[NH2+]CC3)c1)O[C@@H](C)C2 ZINC000414949345 394819159 /nfs/dbraw/zinc/81/91/59/394819159.db2.gz ZYHZXLUKYNYOSL-LBPRGKRZSA-N 2 1 290.407 2.250 20 0 CEADMP COC[C@]1(C[NH2+][C@H](C)Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000414952590 394821443 /nfs/dbraw/zinc/82/14/43/394821443.db2.gz IPOKVRFABVILCE-CZUORRHYSA-N 2 1 280.387 2.115 20 0 CEADMP COCC1(CN2CCC[C@@H]2C[NH+]2CCCC2)CCC1 ZINC000361299936 394821947 /nfs/dbraw/zinc/82/19/47/394821947.db2.gz OYKHXDGPLNQLIB-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP CC[C@H]1C[C@@H](C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)CCO1 ZINC000415055619 394867549 /nfs/dbraw/zinc/86/75/49/394867549.db2.gz OMLMPLBHUQEKDK-CBBWQLFWSA-N 2 1 254.418 2.108 20 0 CEADMP COC[C@H](CCC[NH3+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000422967549 394868884 /nfs/dbraw/zinc/86/88/84/394868884.db2.gz TWIGUCJCYLDIJF-IRXDYDNUSA-N 2 1 299.503 2.231 20 0 CEADMP c1nc(-c2ccccn2)sc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415068259 394873130 /nfs/dbraw/zinc/87/31/30/394873130.db2.gz MDEPHNWEGOPZCQ-UHFFFAOYSA-N 2 1 288.420 2.437 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000422985420 394873783 /nfs/dbraw/zinc/87/37/83/394873783.db2.gz DRLKMWXSLILIAG-ZDUSSCGKSA-N 2 1 290.455 2.372 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)n1 ZINC000415070397 394874187 /nfs/dbraw/zinc/87/41/87/394874187.db2.gz UWOIISDWOASSAS-WFASDCNBSA-N 2 1 277.412 2.128 20 0 CEADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415073899 394876165 /nfs/dbraw/zinc/87/61/65/394876165.db2.gz ZCRNTSIEBGZSJZ-WMLDXEAASA-N 2 1 292.467 2.414 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccn(-c2ccccc2)n1 ZINC000129951590 394877009 /nfs/dbraw/zinc/87/70/09/394877009.db2.gz DDPNTMWPRWXIRL-YOEHRIQHSA-N 2 1 284.407 2.302 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000415075496 394877116 /nfs/dbraw/zinc/87/71/16/394877116.db2.gz BLNMYQJCLMLLLQ-UHFFFAOYSA-N 2 1 276.428 2.289 20 0 CEADMP COc1ccc(OC)c(CCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423008593 394878520 /nfs/dbraw/zinc/87/85/20/394878520.db2.gz AMTQJPLDPARXRD-BBRMVZONSA-N 2 1 292.423 2.224 20 0 CEADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000336815984 394879102 /nfs/dbraw/zinc/87/91/02/394879102.db2.gz JZJFCSQHJZIDAD-JYJNAYRXSA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336815984 394879105 /nfs/dbraw/zinc/87/91/05/394879105.db2.gz JZJFCSQHJZIDAD-JYJNAYRXSA-N 2 1 268.445 2.246 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCOCC(F)(F)F)CC[N@H+]1C ZINC000130018401 394879729 /nfs/dbraw/zinc/87/97/29/394879729.db2.gz HQJVMAIRSLBXML-QWRGUYRKSA-N 2 1 268.323 2.028 20 0 CEADMP Cc1ccc2nc(C[NH2+]C3CCC(C[NH3+])CC3)[nH]c2c1 ZINC000415081957 394880259 /nfs/dbraw/zinc/88/02/59/394880259.db2.gz LMHICOKTKAQDHN-UHFFFAOYSA-N 2 1 272.396 2.478 20 0 CEADMP Cn1nccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415084585 394881518 /nfs/dbraw/zinc/88/15/18/394881518.db2.gz OWUTXDLXCZUCAY-GDBMZVCRSA-N 2 1 270.380 2.003 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414961336 394827248 /nfs/dbraw/zinc/82/72/48/394827248.db2.gz YWEPVVQUBFTWSU-CRAIPNDOSA-N 2 1 287.451 2.381 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC000414978975 394834443 /nfs/dbraw/zinc/83/44/43/394834443.db2.gz MYASUPOHKFPUAB-SNVBAGLBSA-N 2 1 274.311 2.124 20 0 CEADMP CCOc1ccc(C[NH2+]C[C@@H]([NH3+])CC)cc1OCC ZINC000414978502 394834978 /nfs/dbraw/zinc/83/49/78/394834978.db2.gz MBLDFXZQKQKUFH-ZDUSSCGKSA-N 2 1 266.385 2.311 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000414982248 394835629 /nfs/dbraw/zinc/83/56/29/394835629.db2.gz SBPGRIUIXWAPBX-LLVKDONJSA-N 2 1 276.302 2.455 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422875290 394843293 /nfs/dbraw/zinc/84/32/93/394843293.db2.gz DQYDGYFSMPEHBB-YVSFHVDLSA-N 2 1 281.488 2.462 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422875290 394843296 /nfs/dbraw/zinc/84/32/96/394843296.db2.gz DQYDGYFSMPEHBB-YVSFHVDLSA-N 3 1 281.488 2.462 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422875290 394843300 /nfs/dbraw/zinc/84/33/00/394843300.db2.gz DQYDGYFSMPEHBB-YVSFHVDLSA-N 3 1 281.488 2.462 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CNCC[C@H]2C)C1 ZINC000422875998 394843360 /nfs/dbraw/zinc/84/33/60/394843360.db2.gz FRRFVSTZMCHSLR-TWMKSMIVSA-N 2 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422875998 394843366 /nfs/dbraw/zinc/84/33/66/394843366.db2.gz FRRFVSTZMCHSLR-TWMKSMIVSA-N 2 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422875998 394843370 /nfs/dbraw/zinc/84/33/70/394843370.db2.gz FRRFVSTZMCHSLR-TWMKSMIVSA-N 2 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422875998 394843374 /nfs/dbraw/zinc/84/33/74/394843374.db2.gz FRRFVSTZMCHSLR-TWMKSMIVSA-N 3 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422875998 394843380 /nfs/dbraw/zinc/84/33/80/394843380.db2.gz FRRFVSTZMCHSLR-TWMKSMIVSA-N 3 1 281.488 2.332 20 0 CEADMP CC[C@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000126422636 394845999 /nfs/dbraw/zinc/84/59/99/394845999.db2.gz YIKYSKFDRJUNDK-OWCLPIDISA-N 2 1 297.487 2.201 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000415007611 394846372 /nfs/dbraw/zinc/84/63/72/394846372.db2.gz LTSIIJLBNAMLMA-UWVGGRQHSA-N 2 1 276.302 2.453 20 0 CEADMP CC[N@@H+](CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)C(C)C ZINC000422880537 394847020 /nfs/dbraw/zinc/84/70/20/394847020.db2.gz OHAXJCKTZIWGPF-HZPDHXFCSA-N 2 1 261.413 2.451 20 0 CEADMP COc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1Br ZINC000415008108 394847614 /nfs/dbraw/zinc/84/76/14/394847614.db2.gz MKJPTCPFAXTVFE-RKDXNWHRSA-N 2 1 287.201 2.283 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422882633 394848353 /nfs/dbraw/zinc/84/83/53/394848353.db2.gz PIAWPPIMUCMPGP-VVLHAWIVSA-N 3 1 281.488 2.462 20 0 CEADMP CCCOc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1OC ZINC000415013408 394849575 /nfs/dbraw/zinc/84/95/75/394849575.db2.gz UYNDQAQNBZKXQJ-VXGBXAGGSA-N 2 1 266.385 2.309 20 0 CEADMP Cc1nc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)sc1C ZINC000422888242 394851097 /nfs/dbraw/zinc/85/10/97/394851097.db2.gz CGXZECJOCVACCG-JQWIXIFHSA-N 2 1 253.415 2.033 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)c(Cl)c1 ZINC000422892145 394852964 /nfs/dbraw/zinc/85/29/64/394852964.db2.gz XOIVNAAHNNXLBO-ABAIWWIYSA-N 2 1 282.815 2.479 20 0 CEADMP c1cncc(-c2cccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)c1 ZINC000415031251 394854884 /nfs/dbraw/zinc/85/48/84/394854884.db2.gz GBNSKBIPJVUUON-FVQHAEBGSA-N 2 1 265.360 2.056 20 0 CEADMP CCc1nc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)cs1 ZINC000422905457 394856955 /nfs/dbraw/zinc/85/69/55/394856955.db2.gz SEHZYMMWLLKAPG-SNVBAGLBSA-N 2 1 276.409 2.406 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000422906137 394857472 /nfs/dbraw/zinc/85/74/72/394857472.db2.gz JFQQJUVEBPQEPL-ZNMIVQPWSA-N 2 1 263.429 2.222 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422906137 394857475 /nfs/dbraw/zinc/85/74/75/394857475.db2.gz JFQQJUVEBPQEPL-ZNMIVQPWSA-N 2 1 263.429 2.222 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422913058 394860562 /nfs/dbraw/zinc/86/05/62/394860562.db2.gz XOHUPDYHJYBQMZ-KBAYOESNSA-N 2 1 289.467 2.409 20 0 CEADMP C[C@H]1C[C@H](CN2CC[N@@H+](C)Cc3ccccc32)CC[NH2+]1 ZINC000415092446 394886577 /nfs/dbraw/zinc/88/65/77/394886577.db2.gz ANBZUMGWXLUIAJ-LSDHHAIUSA-N 2 1 273.424 2.327 20 0 CEADMP Cc1cccc(C)c1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415118656 394895544 /nfs/dbraw/zinc/89/55/44/394895544.db2.gz DUSVGYDOJSRTDK-INIZCTEOSA-N 2 1 299.422 2.191 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2OC(F)F)CC[N@@H+]1C ZINC000337531642 394896718 /nfs/dbraw/zinc/89/67/18/394896718.db2.gz DKHFVLNTMUAFPG-WYUUTHIRSA-N 2 1 262.344 2.219 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2OC(F)F)CC[N@H+]1C ZINC000337531642 394896723 /nfs/dbraw/zinc/89/67/23/394896723.db2.gz DKHFVLNTMUAFPG-WYUUTHIRSA-N 2 1 262.344 2.219 20 0 CEADMP C[C@@H](N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423352768 394898420 /nfs/dbraw/zinc/89/84/20/394898420.db2.gz BPYNFRVXFBANBL-KBAYOESNSA-N 2 1 287.451 2.239 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000423355166 394898826 /nfs/dbraw/zinc/89/88/26/394898826.db2.gz HPEQIJKGSRUPDF-ILXRZTDVSA-N 2 1 266.429 2.456 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000415128232 394899460 /nfs/dbraw/zinc/89/94/60/394899460.db2.gz SPGFJNJJOQURJK-TXCZRRACSA-N 2 1 274.408 2.182 20 0 CEADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415137194 394901320 /nfs/dbraw/zinc/90/13/20/394901320.db2.gz XXRYIGWVKJECJV-ZFWWWQNUSA-N 2 1 279.432 2.056 20 0 CEADMP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423364564 394902524 /nfs/dbraw/zinc/90/25/24/394902524.db2.gz CJUHEAODAYHMRX-GUYCJALGSA-N 2 1 285.391 2.311 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000423367007 394902654 /nfs/dbraw/zinc/90/26/54/394902654.db2.gz YCDUPLQEERNFAS-HUUCEWRRSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H](C)[NH3+] ZINC000423377633 394907426 /nfs/dbraw/zinc/90/74/26/394907426.db2.gz VVUVFRYVDHMPCZ-ZBFHGGJFSA-N 2 1 295.471 2.083 20 0 CEADMP N[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c2ccccc21 ZINC000423421266 394917946 /nfs/dbraw/zinc/91/79/46/394917946.db2.gz JYLUNGYMJURWCT-MGBSGCIJSA-N 2 1 273.424 2.486 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@H]2CCC[C@@H]21 ZINC000423430351 394920596 /nfs/dbraw/zinc/92/05/96/394920596.db2.gz UHFHDBJJGSMTGJ-MTSZKFMLSA-N 3 1 279.472 2.214 20 0 CEADMP CN1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@H]2CCC[C@@H]21 ZINC000423430351 394920599 /nfs/dbraw/zinc/92/05/99/394920599.db2.gz UHFHDBJJGSMTGJ-MTSZKFMLSA-N 2 1 279.472 2.214 20 0 CEADMP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccc(C(=O)OC)cc1 ZINC000423455773 394924690 /nfs/dbraw/zinc/92/46/90/394924690.db2.gz CUOZIMOUVTZNDJ-WDMOLILDSA-N 2 1 264.369 2.250 20 0 CEADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423498733 394936087 /nfs/dbraw/zinc/93/60/87/394936087.db2.gz BXGSABKWQHTMJF-WBVHZDCISA-N 2 1 287.451 2.174 20 0 CEADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C1 ZINC000423498750 394936095 /nfs/dbraw/zinc/93/60/95/394936095.db2.gz BYKBVASZNBPYIO-XHSDSOJGSA-N 2 1 267.461 2.085 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1(C)C ZINC000423503733 394938252 /nfs/dbraw/zinc/93/82/52/394938252.db2.gz NDCOYHRVMZLTNP-HZSPNIEDSA-N 2 1 254.418 2.297 20 0 CEADMP CC(C)CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C(C)(C)C ZINC000423502741 394938316 /nfs/dbraw/zinc/93/83/16/394938316.db2.gz FHYVJCJVEDACAI-HUUCEWRRSA-N 2 1 269.477 2.331 20 0 CEADMP C[C@]12C[C@H]1CCC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423505714 394938969 /nfs/dbraw/zinc/93/89/69/394938969.db2.gz HNVVJGZXYSUDMI-BNGPMPHDSA-N 2 1 291.483 2.371 20 0 CEADMP Cc1ccsc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423506584 394940645 /nfs/dbraw/zinc/94/06/45/394940645.db2.gz HFHPPDJQEPXRIM-NWDGAFQWSA-N 2 1 254.399 2.086 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC[NH+](C)C2CCCC2)[C@H](C)C1 ZINC000133221352 394946954 /nfs/dbraw/zinc/94/69/54/394946954.db2.gz GWUOEMBAHLZICQ-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@H+](C)C2CCCC2)[C@H](C)C1 ZINC000133221352 394946955 /nfs/dbraw/zinc/94/69/55/394946955.db2.gz GWUOEMBAHLZICQ-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@@H+](C)C2CCCC2)[C@H](C)C1 ZINC000133221352 394946957 /nfs/dbraw/zinc/94/69/57/394946957.db2.gz GWUOEMBAHLZICQ-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H]1CCCOC1 ZINC000423533644 394946982 /nfs/dbraw/zinc/94/69/82/394946982.db2.gz UDWUGSMOFCKWDU-QSPRXWTASA-N 2 1 274.408 2.147 20 0 CEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(-n2cncn2)cc1 ZINC000423535763 394947877 /nfs/dbraw/zinc/94/78/77/394947877.db2.gz YEYJKJGJLHVYNA-CXAGYDPISA-N 2 1 299.422 2.435 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000415929132 394981373 /nfs/dbraw/zinc/98/13/73/394981373.db2.gz ILFVYCXEPOHJLB-IUODEOHRSA-N 2 1 290.411 2.010 20 0 CEADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340246851 394982279 /nfs/dbraw/zinc/98/22/79/394982279.db2.gz XZZCBNHSTDDBOV-BRWVUGGUSA-N 2 1 276.424 2.428 20 0 CEADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340246851 394982280 /nfs/dbraw/zinc/98/22/80/394982280.db2.gz XZZCBNHSTDDBOV-BRWVUGGUSA-N 2 1 276.424 2.428 20 0 CEADMP CCOC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCCC1 ZINC000340467181 394985955 /nfs/dbraw/zinc/98/59/55/394985955.db2.gz VBUDOKVRGJAARJ-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccccc1-n1ccnc1 ZINC000152239044 394990812 /nfs/dbraw/zinc/99/08/12/394990812.db2.gz OLFDHYBENVTTGC-HOCLYGCPSA-N 3 1 284.407 2.302 20 0 CEADMP CC[C@H](C)C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000339409911 394958361 /nfs/dbraw/zinc/95/83/61/394958361.db2.gz ODBLDDQPUFOTFN-LSDHHAIUSA-N 2 1 290.455 2.410 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCCC2)[C@H]2CCC[C@@H]21 ZINC000367539006 394964529 /nfs/dbraw/zinc/96/45/29/394964529.db2.gz VLEIBZPAQKHGKX-PMPSAXMXSA-N 2 1 280.456 2.392 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158565995 395048959 /nfs/dbraw/zinc/04/89/59/395048959.db2.gz AAQLMPNDHXHGCZ-KLHDSHLOSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158565995 395048964 /nfs/dbraw/zinc/04/89/64/395048964.db2.gz AAQLMPNDHXHGCZ-KLHDSHLOSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158565995 395048967 /nfs/dbraw/zinc/04/89/67/395048967.db2.gz AAQLMPNDHXHGCZ-KLHDSHLOSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158565995 395048972 /nfs/dbraw/zinc/04/89/72/395048972.db2.gz AAQLMPNDHXHGCZ-KLHDSHLOSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000344248932 395052073 /nfs/dbraw/zinc/05/20/73/395052073.db2.gz GYXYAJORXOTYLK-IAGOWNOFSA-N 2 1 289.423 2.374 20 0 CEADMP CN(C)c1ncc(C[N@@H+]2CC[C@@H]2c2ccccc2)n1C ZINC000425329768 395058541 /nfs/dbraw/zinc/05/85/41/395058541.db2.gz WRZYLJINXKMQQW-OAHLLOKOSA-N 2 1 270.380 2.433 20 0 CEADMP CC(C)[NH2+]CC[N@@H+]1CCC[C@@H]1[C@H]1C[C@H](C)CC[C@@H]1O ZINC000374068702 395071475 /nfs/dbraw/zinc/07/14/75/395071475.db2.gz NCVTUJBDNYNVPL-FPCVCCKLSA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)[NH2+]CC[N@H+]1CCC[C@@H]1[C@H]1C[C@H](C)CC[C@@H]1O ZINC000374068702 395071479 /nfs/dbraw/zinc/07/14/79/395071479.db2.gz NCVTUJBDNYNVPL-FPCVCCKLSA-N 2 1 268.445 2.246 20 0 CEADMP CC[C@H](COC)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162310097 395072629 /nfs/dbraw/zinc/07/26/29/395072629.db2.gz SSJMJPYOZDJSOO-CQSZACIVSA-N 2 1 292.427 2.077 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCSC1 ZINC000162670888 395078485 /nfs/dbraw/zinc/07/84/85/395078485.db2.gz MLINMNFPPVCCLL-ZDUSSCGKSA-N 2 1 253.415 2.409 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCSC1 ZINC000162670888 395078488 /nfs/dbraw/zinc/07/84/88/395078488.db2.gz MLINMNFPPVCCLL-ZDUSSCGKSA-N 2 1 253.415 2.409 20 0 CEADMP Cn1cc(C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000163087057 395080295 /nfs/dbraw/zinc/08/02/95/395080295.db2.gz GXYMQYRJAUPNBB-MRXNPFEDSA-N 2 1 276.428 2.084 20 0 CEADMP CO[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000374682386 395085605 /nfs/dbraw/zinc/08/56/05/395085605.db2.gz ZIBXFOXWNPUQST-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000374682386 395085608 /nfs/dbraw/zinc/08/56/08/395085608.db2.gz ZIBXFOXWNPUQST-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000374682386 395085612 /nfs/dbraw/zinc/08/56/12/395085612.db2.gz ZIBXFOXWNPUQST-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000376957468 395132216 /nfs/dbraw/zinc/13/22/16/395132216.db2.gz KHRBVVAYHOUHTQ-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP c1ccc(CCOCCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428039565 395133498 /nfs/dbraw/zinc/13/34/98/395133498.db2.gz RYNIDLIXRKSWGB-QZTJIDSGSA-N 2 1 288.435 2.320 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000436309854 395107859 /nfs/dbraw/zinc/10/78/59/395107859.db2.gz QBLGXDBELFMKDM-XGUBFFRZSA-N 2 1 282.428 2.038 20 0 CEADMP c1ccc(CCOCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428039566 395133968 /nfs/dbraw/zinc/13/39/68/395133968.db2.gz RYNIDLIXRKSWGB-ROUUACIJSA-N 2 1 288.435 2.320 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000348292928 395141897 /nfs/dbraw/zinc/14/18/97/395141897.db2.gz NQKWBRWHYZKBHL-FRRDWIJNSA-N 2 1 294.361 2.248 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000348292928 395141901 /nfs/dbraw/zinc/14/19/01/395141901.db2.gz NQKWBRWHYZKBHL-FRRDWIJNSA-N 2 1 294.361 2.248 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000348292928 395141908 /nfs/dbraw/zinc/14/19/08/395141908.db2.gz NQKWBRWHYZKBHL-FRRDWIJNSA-N 2 1 294.361 2.248 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000348292928 395141911 /nfs/dbraw/zinc/14/19/11/395141911.db2.gz NQKWBRWHYZKBHL-FRRDWIJNSA-N 2 1 294.361 2.248 20 0 CEADMP C[C@@H](C[NH2+]Cc1cc2ccccc2[nH]c1=O)C[NH+](C)C ZINC000291687752 395153768 /nfs/dbraw/zinc/15/37/68/395153768.db2.gz IRWIJGFAFGEJGH-LBPRGKRZSA-N 2 1 273.380 2.228 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@]2(CC=CCC2)C1)C1CC1 ZINC000351519224 395226636 /nfs/dbraw/zinc/22/66/36/395226636.db2.gz OEDOJZZIAFEFHV-IRXDYDNUSA-N 2 1 278.440 2.264 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@]2(CC=CCC2)C1)C1CC1 ZINC000351519224 395226640 /nfs/dbraw/zinc/22/66/40/395226640.db2.gz OEDOJZZIAFEFHV-IRXDYDNUSA-N 2 1 278.440 2.264 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1)C1CC1 ZINC000351519224 395226644 /nfs/dbraw/zinc/22/66/44/395226644.db2.gz OEDOJZZIAFEFHV-IRXDYDNUSA-N 2 1 278.440 2.264 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1)C1CC1 ZINC000351519224 395226647 /nfs/dbraw/zinc/22/66/47/395226647.db2.gz OEDOJZZIAFEFHV-IRXDYDNUSA-N 2 1 278.440 2.264 20 0 CEADMP C[C@H](CCCC[NH3+])NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000418717075 395235808 /nfs/dbraw/zinc/23/58/08/395235808.db2.gz ZEKUWCILJKEWHL-CABCVRRESA-N 2 1 298.475 2.020 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccccc2)C1 ZINC000383774595 395187978 /nfs/dbraw/zinc/18/79/78/395187978.db2.gz RQYBNGNXROEFHH-IAGOWNOFSA-N 2 1 276.424 2.177 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccccc2)C1 ZINC000383774595 395187983 /nfs/dbraw/zinc/18/79/83/395187983.db2.gz RQYBNGNXROEFHH-IAGOWNOFSA-N 2 1 276.424 2.177 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000383774595 395187987 /nfs/dbraw/zinc/18/79/87/395187987.db2.gz RQYBNGNXROEFHH-IAGOWNOFSA-N 2 1 276.424 2.177 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000383774595 395187992 /nfs/dbraw/zinc/18/79/92/395187992.db2.gz RQYBNGNXROEFHH-IAGOWNOFSA-N 2 1 276.424 2.177 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000519710326 395212792 /nfs/dbraw/zinc/21/27/92/395212792.db2.gz XYNCGTJXJVWSGJ-SJLPKXTDSA-N 2 1 290.451 2.405 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000519710326 395212796 /nfs/dbraw/zinc/21/27/96/395212796.db2.gz XYNCGTJXJVWSGJ-SJLPKXTDSA-N 2 1 290.451 2.405 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000519710326 395212800 /nfs/dbraw/zinc/21/28/00/395212800.db2.gz XYNCGTJXJVWSGJ-SJLPKXTDSA-N 2 1 290.451 2.405 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000519710326 395212804 /nfs/dbraw/zinc/21/28/04/395212804.db2.gz XYNCGTJXJVWSGJ-SJLPKXTDSA-N 2 1 290.451 2.405 20 0 CEADMP CC[N@H+]1CCC[C@@H](CNCc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433305336 395219439 /nfs/dbraw/zinc/21/94/39/395219439.db2.gz NEPUJMWCWPPSOJ-ZDUSSCGKSA-N 2 1 288.395 2.491 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433305336 395219445 /nfs/dbraw/zinc/21/94/45/395219445.db2.gz NEPUJMWCWPPSOJ-ZDUSSCGKSA-N 2 1 288.395 2.491 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433305336 395219451 /nfs/dbraw/zinc/21/94/51/395219451.db2.gz NEPUJMWCWPPSOJ-ZDUSSCGKSA-N 2 1 288.395 2.491 20 0 CEADMP Cc1ccc2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cn2c1 ZINC000397286723 395220657 /nfs/dbraw/zinc/22/06/57/395220657.db2.gz UXRJNUWXLYEMSN-ZNMIVQPWSA-N 2 1 286.423 2.448 20 0 CEADMP Cc1ccc2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cn2c1 ZINC000397286723 395220661 /nfs/dbraw/zinc/22/06/61/395220661.db2.gz UXRJNUWXLYEMSN-ZNMIVQPWSA-N 2 1 286.423 2.448 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1C[NH3+] ZINC000397304084 395220785 /nfs/dbraw/zinc/22/07/85/395220785.db2.gz LUUOYMGJHVDRTH-ILXRZTDVSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1C[NH3+] ZINC000397304084 395220789 /nfs/dbraw/zinc/22/07/89/395220789.db2.gz LUUOYMGJHVDRTH-ILXRZTDVSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000397321233 395223273 /nfs/dbraw/zinc/22/32/73/395223273.db2.gz BFHOTGSRNZFTCG-IOASZLSFSA-N 2 1 274.408 2.427 20 0 CEADMP Cc1cnc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000420325538 395327724 /nfs/dbraw/zinc/32/77/24/395327724.db2.gz ISSHEKXFFWXDNS-MJBXVCDLSA-N 2 1 263.385 2.366 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)C1CCSCC1 ZINC000186997673 395296499 /nfs/dbraw/zinc/29/64/99/395296499.db2.gz UWFAQWNPCJONND-CYBMUJFWSA-N 2 1 274.474 2.076 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000420291427 395299674 /nfs/dbraw/zinc/29/96/74/395299674.db2.gz KOUAKUZSIHINNE-ZDUSSCGKSA-N 2 1 299.422 2.041 20 0 CEADMP CC[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(Cl)s1 ZINC000420295436 395302172 /nfs/dbraw/zinc/30/21/72/395302172.db2.gz AIJDGHYGPXYKES-UHFFFAOYSA-N 2 1 287.860 2.129 20 0 CEADMP COc1ccc(OCC[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420298691 395304304 /nfs/dbraw/zinc/30/43/04/395304304.db2.gz FTSPCVNBIXQYKZ-HNNXBMFYSA-N 2 1 292.423 2.396 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3ccsc3)C[C@H]12 ZINC000420300597 395305449 /nfs/dbraw/zinc/30/54/49/395305449.db2.gz CRPRCIGBAYTJLD-MELADBBJSA-N 2 1 250.411 2.350 20 0 CEADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000420302468 395307317 /nfs/dbraw/zinc/30/73/17/395307317.db2.gz MIFQUGKHMUZDTJ-KSZLIROESA-N 2 1 288.435 2.182 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420306872 395310859 /nfs/dbraw/zinc/31/08/59/395310859.db2.gz LGJCASNCFOBJKF-HIFRSBDPSA-N 2 1 262.397 2.297 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000354089329 395313810 /nfs/dbraw/zinc/31/38/10/395313810.db2.gz CQPXJRKIQXMFQD-OAGGEKHMSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000354089329 395313814 /nfs/dbraw/zinc/31/38/14/395313814.db2.gz CQPXJRKIQXMFQD-OAGGEKHMSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000354089329 395313817 /nfs/dbraw/zinc/31/38/17/395313817.db2.gz CQPXJRKIQXMFQD-OAGGEKHMSA-N 2 1 295.471 2.050 20 0 CEADMP Fc1cccc([C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)c1 ZINC000420312705 395316176 /nfs/dbraw/zinc/31/61/76/395316176.db2.gz XBDWGJSBFQIKOZ-CZUORRHYSA-N 2 1 278.371 2.199 20 0 CEADMP Fc1cccc([C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)c1 ZINC000420312705 395316177 /nfs/dbraw/zinc/31/61/77/395316177.db2.gz XBDWGJSBFQIKOZ-CZUORRHYSA-N 2 1 278.371 2.199 20 0 CEADMP CC(C)CO[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420313334 395317002 /nfs/dbraw/zinc/31/70/02/395317002.db2.gz XYTZCJCTPVWXQH-HUUCEWRRSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)C[C@@H]1CCCO1 ZINC000420324546 395327383 /nfs/dbraw/zinc/32/73/83/395327383.db2.gz VPTXMNMKFFIVIB-WBVHZDCISA-N 2 1 292.423 2.238 20 0 CEADMP c1cc(C[N@H+](CC[C@@H]2CC[NH2+]C2)Cc2ccccc2)n[nH]1 ZINC000420314962 395318137 /nfs/dbraw/zinc/31/81/37/395318137.db2.gz KROIALSHGXPLQH-HNNXBMFYSA-N 2 1 284.407 2.412 20 0 CEADMP C(C[N@H+]1CCC[C@H]1CN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000420317210 395320451 /nfs/dbraw/zinc/32/04/51/395320451.db2.gz MRBFLNIJYMTEBE-IRXDYDNUSA-N 2 1 279.472 2.326 20 0 CEADMP C(CN1CCC[C@H]1C[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000420317210 395320454 /nfs/dbraw/zinc/32/04/54/395320454.db2.gz MRBFLNIJYMTEBE-IRXDYDNUSA-N 2 1 279.472 2.326 20 0 CEADMP CCC[N@@H+](CCCc1ccncc1)C1CC[NH2+]CC1 ZINC000420318059 395322051 /nfs/dbraw/zinc/32/20/51/395322051.db2.gz NRNOERUZGICEEA-UHFFFAOYSA-N 2 1 261.413 2.478 20 0 CEADMP Cc1cccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000522005906 395258263 /nfs/dbraw/zinc/25/82/63/395258263.db2.gz HZVDEFIPBIIXAJ-UHFFFAOYSA-N 2 1 288.435 2.322 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCO[C@@H](C)C2)C1 ZINC000352632120 395264207 /nfs/dbraw/zinc/26/42/07/395264207.db2.gz YLGIYAOYQJYFGD-XHSDSOJGSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCO[C@@H](C)C2)C1 ZINC000352632120 395264211 /nfs/dbraw/zinc/26/42/11/395264211.db2.gz YLGIYAOYQJYFGD-XHSDSOJGSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@@H](C)C2)C1 ZINC000352632120 395264213 /nfs/dbraw/zinc/26/42/13/395264213.db2.gz YLGIYAOYQJYFGD-XHSDSOJGSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420321762 395323815 /nfs/dbraw/zinc/32/38/15/395323815.db2.gz RQCVOJCRHPMZPP-CQSZACIVSA-N 2 1 250.386 2.469 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000352749182 395268815 /nfs/dbraw/zinc/26/88/15/395268815.db2.gz PZMAZFMHXBVLMP-WBTNSWJXSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000352749182 395268820 /nfs/dbraw/zinc/26/88/20/395268820.db2.gz PZMAZFMHXBVLMP-WBTNSWJXSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352749182 395268822 /nfs/dbraw/zinc/26/88/22/395268822.db2.gz PZMAZFMHXBVLMP-WBTNSWJXSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352749182 395268825 /nfs/dbraw/zinc/26/88/25/395268825.db2.gz PZMAZFMHXBVLMP-WBTNSWJXSA-N 2 1 279.472 2.179 20 0 CEADMP COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCC1CC[NH2+]CC1 ZINC000420365822 395354136 /nfs/dbraw/zinc/35/41/36/395354136.db2.gz SSVHYUPZPHPEMO-PMPSAXMXSA-N 2 1 294.439 2.182 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1cccc(F)c1 ZINC000420368700 395355507 /nfs/dbraw/zinc/35/55/07/395355507.db2.gz UMUBLXJIUQALSK-ZDUSSCGKSA-N 2 1 254.349 2.168 20 0 CEADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420377929 395364118 /nfs/dbraw/zinc/36/41/18/395364118.db2.gz SXBOLMGKGADTTQ-UONOGXRCSA-N 2 1 262.401 2.163 20 0 CEADMP c1ccc([C@H]2CNCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420401900 395370955 /nfs/dbraw/zinc/37/09/55/395370955.db2.gz JRUNPCDGAFKLJZ-DOTOQJQBSA-N 2 1 273.424 2.023 20 0 CEADMP c1ccc([C@H]2C[NH2+]CCN2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420401900 395370959 /nfs/dbraw/zinc/37/09/59/395370959.db2.gz JRUNPCDGAFKLJZ-DOTOQJQBSA-N 2 1 273.424 2.023 20 0 CEADMP FC(F)(F)CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420406970 395372261 /nfs/dbraw/zinc/37/22/61/395372261.db2.gz UZHWYCVAIHUHMI-WDEREUQCSA-N 2 1 250.308 2.403 20 0 CEADMP C[C@@H]1CC[N@@H+](CCN(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000420404580 395372847 /nfs/dbraw/zinc/37/28/47/395372847.db2.gz MFMJUWJMRSAVTJ-HUUCEWRRSA-N 2 1 261.413 2.040 20 0 CEADMP C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)[C@H]1CCCCO1 ZINC000420406881 395373023 /nfs/dbraw/zinc/37/30/23/395373023.db2.gz USTUHVLTTNYOLZ-XHSDSOJGSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C(C)C ZINC000420408304 395374403 /nfs/dbraw/zinc/37/44/03/395374403.db2.gz WBNHGUZNTGQNSR-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C(C)C ZINC000420408304 395374411 /nfs/dbraw/zinc/37/44/11/395374411.db2.gz WBNHGUZNTGQNSR-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435623084 395378751 /nfs/dbraw/zinc/37/87/51/395378751.db2.gz TWJVSYCLXYMSKZ-CQSZACIVSA-N 2 1 272.396 2.217 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435623084 395378754 /nfs/dbraw/zinc/37/87/54/395378754.db2.gz TWJVSYCLXYMSKZ-CQSZACIVSA-N 2 1 272.396 2.217 20 0 CEADMP CC[N@H+](CC(=O)NC1CCCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435626640 395379024 /nfs/dbraw/zinc/37/90/24/395379024.db2.gz LIKLWJLMWNXIDU-MRXNPFEDSA-N 2 1 295.471 2.289 20 0 CEADMP CC[N@@H+](CC(=O)NC1CCCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435626640 395379028 /nfs/dbraw/zinc/37/90/28/395379028.db2.gz LIKLWJLMWNXIDU-MRXNPFEDSA-N 2 1 295.471 2.289 20 0 CEADMP CC[C@H](C[NH2+]C1CCC(C(=O)OC)CC1)[NH+]1CCCC1 ZINC000192438968 395382886 /nfs/dbraw/zinc/38/28/86/395382886.db2.gz MIGPSYPFDYBWQS-YMAMQOFZSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000435727840 395383795 /nfs/dbraw/zinc/38/37/95/395383795.db2.gz GLBOTLUNAHPUGB-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435727840 395383797 /nfs/dbraw/zinc/38/37/97/395383797.db2.gz GLBOTLUNAHPUGB-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435727840 395383800 /nfs/dbraw/zinc/38/38/00/395383800.db2.gz GLBOTLUNAHPUGB-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435727840 395383803 /nfs/dbraw/zinc/38/38/03/395383803.db2.gz GLBOTLUNAHPUGB-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435727840 395383806 /nfs/dbraw/zinc/38/38/06/395383806.db2.gz GLBOTLUNAHPUGB-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP CCN(C(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000442781329 395394976 /nfs/dbraw/zinc/39/49/76/395394976.db2.gz PDAOMUSIEPJLJL-ILXRZTDVSA-N 2 1 289.423 2.097 20 0 CEADMP CCN(C(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000442781329 395394977 /nfs/dbraw/zinc/39/49/77/395394977.db2.gz PDAOMUSIEPJLJL-ILXRZTDVSA-N 2 1 289.423 2.097 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335398 395332921 /nfs/dbraw/zinc/33/29/21/395332921.db2.gz UVCUQDWHSSWFMN-IAGOWNOFSA-N 3 1 279.472 2.184 20 0 CEADMP C(CN1CCCCC1)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335398 395332922 /nfs/dbraw/zinc/33/29/22/395332922.db2.gz UVCUQDWHSSWFMN-IAGOWNOFSA-N 2 1 279.472 2.184 20 0 CEADMP C(CN1CCCCC1)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335398 395332925 /nfs/dbraw/zinc/33/29/25/395332925.db2.gz UVCUQDWHSSWFMN-IAGOWNOFSA-N 2 1 279.472 2.184 20 0 CEADMP FC(F)(F)CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332509 395333437 /nfs/dbraw/zinc/33/34/37/395333437.db2.gz DCEZRKDUDCOYCB-MNOVXSKESA-N 2 1 250.308 2.260 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000354509958 395335504 /nfs/dbraw/zinc/33/55/04/395335504.db2.gz LPRZZANQNMFILY-XQLPTFJDSA-N 2 1 254.418 2.264 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000354509958 395335507 /nfs/dbraw/zinc/33/55/07/395335507.db2.gz LPRZZANQNMFILY-XQLPTFJDSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)c1noc([C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000420340460 395336663 /nfs/dbraw/zinc/33/66/63/395336663.db2.gz PIVMNLMWCOFPNU-UPJWGTAASA-N 2 1 278.400 2.185 20 0 CEADMP CCOC(=O)CCCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420356144 395342364 /nfs/dbraw/zinc/34/23/64/395342364.db2.gz CPASKMIAWDFMQU-CQSZACIVSA-N 2 1 270.417 2.217 20 0 CEADMP CCOC(=O)CCCCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420360700 395346152 /nfs/dbraw/zinc/34/61/52/395346152.db2.gz HIZWIJJHKAIPMT-KCQAQPDRSA-N 2 1 270.417 2.086 20 0 CEADMP C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362648 395349608 /nfs/dbraw/zinc/34/96/08/395349608.db2.gz BAAXVBBNXLOWTA-JZXOWHBKSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362648 395349615 /nfs/dbraw/zinc/34/96/15/395349615.db2.gz BAAXVBBNXLOWTA-JZXOWHBKSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362648 395349619 /nfs/dbraw/zinc/34/96/19/395349619.db2.gz BAAXVBBNXLOWTA-JZXOWHBKSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362648 395349625 /nfs/dbraw/zinc/34/96/25/395349625.db2.gz BAAXVBBNXLOWTA-JZXOWHBKSA-N 2 1 291.483 2.325 20 0 CEADMP C(C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362648 395349629 /nfs/dbraw/zinc/34/96/29/395349629.db2.gz BAAXVBBNXLOWTA-JZXOWHBKSA-N 2 1 291.483 2.325 20 0 CEADMP C(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362648 395349634 /nfs/dbraw/zinc/34/96/34/395349634.db2.gz BAAXVBBNXLOWTA-JZXOWHBKSA-N 2 1 291.483 2.325 20 0 CEADMP C(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362648 395349640 /nfs/dbraw/zinc/34/96/40/395349640.db2.gz BAAXVBBNXLOWTA-JZXOWHBKSA-N 2 1 291.483 2.325 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000193123472 395403342 /nfs/dbraw/zinc/40/33/42/395403342.db2.gz DGWTXCIZYYVYLH-UONOGXRCSA-N 2 1 256.434 2.369 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000355363626 395422968 /nfs/dbraw/zinc/42/29/68/395422968.db2.gz ICOOGGLHZSQOBQ-BYCMXARLSA-N 2 1 266.429 2.262 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)CCO1 ZINC000355364955 395423408 /nfs/dbraw/zinc/42/34/08/395423408.db2.gz FFEWDWGRQCWJIP-PMPSAXMXSA-N 2 1 291.439 2.490 20 0 CEADMP c1coc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000444569531 395437491 /nfs/dbraw/zinc/43/74/91/395437491.db2.gz FKLFBDAAVONRIT-UHFFFAOYSA-N 2 1 291.439 2.273 20 0 CEADMP CC[C@@H](C(=O)NCC[N@H+]1CCCC(C)(C)C1)[NH+](CC)CC ZINC000444620543 395440617 /nfs/dbraw/zinc/44/06/17/395440617.db2.gz VFZGWPRSVXMCRN-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1C ZINC000448025337 395507929 /nfs/dbraw/zinc/50/79/29/395507929.db2.gz CSNHCWCYDLLMIZ-ILXRZTDVSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1C ZINC000448025337 395507931 /nfs/dbraw/zinc/50/79/31/395507931.db2.gz CSNHCWCYDLLMIZ-ILXRZTDVSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1C ZINC000448025337 395507933 /nfs/dbraw/zinc/50/79/33/395507933.db2.gz CSNHCWCYDLLMIZ-ILXRZTDVSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2N(C)CCCC2(C)C)CC[N@@H+]1C ZINC000448025337 395507935 /nfs/dbraw/zinc/50/79/35/395507935.db2.gz CSNHCWCYDLLMIZ-ILXRZTDVSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2N(C)CCCC2(C)C)CC[N@H+]1C ZINC000448025337 395507937 /nfs/dbraw/zinc/50/79/37/395507937.db2.gz CSNHCWCYDLLMIZ-ILXRZTDVSA-N 2 1 267.461 2.179 20 0 CEADMP COC[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000448556775 395516670 /nfs/dbraw/zinc/51/66/70/395516670.db2.gz REYYYEMKISTAQI-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP COC[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000448556775 395516674 /nfs/dbraw/zinc/51/66/74/395516674.db2.gz REYYYEMKISTAQI-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H](NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000566483790 395530033 /nfs/dbraw/zinc/53/00/33/395530033.db2.gz YCXLJIWFEIAAJB-QZTJIDSGSA-N 2 1 287.451 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)C1 ZINC000566483790 395530036 /nfs/dbraw/zinc/53/00/36/395530036.db2.gz YCXLJIWFEIAAJB-QZTJIDSGSA-N 2 1 287.451 2.294 20 0 CEADMP C[C@H](C[NH+]1CCC(C)CC1)NCc1c[nH+]ccc1N(C)C ZINC000566500701 395532202 /nfs/dbraw/zinc/53/22/02/395532202.db2.gz PXEMXGURNVOQQI-OAHLLOKOSA-N 2 1 290.455 2.358 20 0 CEADMP C[C@H]1[N@H+](CCCc2c[nH+]cn2C)CCC12CCOCC2 ZINC000567911619 395542039 /nfs/dbraw/zinc/54/20/39/395542039.db2.gz VTXQYRGQDYIKJC-CQSZACIVSA-N 2 1 277.412 2.244 20 0 CEADMP C[C@H]1[N@@H+](CCCc2c[nH+]cn2C)CCC12CCOCC2 ZINC000567911619 395542040 /nfs/dbraw/zinc/54/20/40/395542040.db2.gz VTXQYRGQDYIKJC-CQSZACIVSA-N 2 1 277.412 2.244 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cncnc2C)C1 ZINC000565549840 395476485 /nfs/dbraw/zinc/47/64/85/395476485.db2.gz UQEOKUSPFPJTLE-TZMCWYRMSA-N 2 1 262.401 2.168 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cncnc2C)C1 ZINC000565549840 395476487 /nfs/dbraw/zinc/47/64/87/395476487.db2.gz UQEOKUSPFPJTLE-TZMCWYRMSA-N 2 1 262.401 2.168 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000569093393 395573360 /nfs/dbraw/zinc/57/33/60/395573360.db2.gz PDKMCCVRNJGSCU-CABCVRRESA-N 3 1 267.461 2.086 20 0 CEADMP CCC1(CC)CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)CC1 ZINC000572888140 395592547 /nfs/dbraw/zinc/59/25/47/395592547.db2.gz KEXKCLKRCNYRBK-AWEZNQCLSA-N 2 1 256.434 2.249 20 0 CEADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C1 ZINC000574005642 395623820 /nfs/dbraw/zinc/62/38/20/395623820.db2.gz WPVWWRVMMDBAJY-MCIONIFRSA-N 2 1 299.422 2.317 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000574544216 395632261 /nfs/dbraw/zinc/63/22/61/395632261.db2.gz AQYOEBDSCOFUDF-CZUORRHYSA-N 2 1 282.391 2.231 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc2cnccc2c1 ZINC000647508671 395723785 /nfs/dbraw/zinc/72/37/85/395723785.db2.gz XLXZQHSEJXQYTG-JSGCOSHPSA-N 2 1 255.365 2.404 20 0 CEADMP Cc1cccc2nc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cn21 ZINC000647364694 395709424 /nfs/dbraw/zinc/70/94/24/395709424.db2.gz JGIBFVXDTMXXIB-HUUCEWRRSA-N 2 1 286.423 2.258 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nccc3ccccc32)CC[C@H]1[NH3+] ZINC000647496537 395721586 /nfs/dbraw/zinc/72/15/86/395721586.db2.gz ROBKNEYZUBSXNX-SWLSCSKDSA-N 2 1 255.365 2.404 20 0 CEADMP CC[C@H]1C[N@H+](Cc2c(C)cc(OC)nc2C)CC[C@@H]1[NH3+] ZINC000647498799 395722294 /nfs/dbraw/zinc/72/22/94/395722294.db2.gz RDCAHXYQUYISLQ-ZFWWWQNUSA-N 2 1 277.412 2.266 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2c(C)cc(OC)nc2C)CC[C@@H]1[NH3+] ZINC000647498799 395722297 /nfs/dbraw/zinc/72/22/97/395722297.db2.gz RDCAHXYQUYISLQ-ZFWWWQNUSA-N 2 1 277.412 2.266 20 0 CEADMP CC(C)C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccncc1 ZINC000647284671 395697558 /nfs/dbraw/zinc/69/75/58/395697558.db2.gz ZFOLWYAZQCFYDU-DLBZAZTESA-N 2 1 291.439 2.215 20 0 CEADMP COCC(C)(C)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543034 395730900 /nfs/dbraw/zinc/73/09/00/395730900.db2.gz GWLAIJSJNAMHSM-GJZGRUSLSA-N 2 1 268.445 2.371 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccn1 ZINC000647544102 395731361 /nfs/dbraw/zinc/73/13/61/395731361.db2.gz WTTXXJOXHWGOJG-HOTGVXAUSA-N 2 1 259.397 2.293 20 0 CEADMP C(C1CCOCC1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543856 395731429 /nfs/dbraw/zinc/73/14/29/395731429.db2.gz SXQVXVVFIFUWRN-JKSUJKDBSA-N 2 1 266.429 2.125 20 0 CEADMP CCOc1ccccc1CC[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000647548942 395733070 /nfs/dbraw/zinc/73/30/70/395733070.db2.gz BJWYDXPOEJNUEF-UKRRQHHQSA-N 2 1 262.397 2.215 20 0 CEADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000647549480 395733308 /nfs/dbraw/zinc/73/33/08/395733308.db2.gz CRDUAFDOBAVBGN-JYJNAYRXSA-N 2 1 273.424 2.101 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](c3cccnc3)C2)CC[NH2+]1 ZINC000647552733 395734499 /nfs/dbraw/zinc/73/44/99/395734499.db2.gz UICJERJUFPDXSZ-IIAWOOMASA-N 2 1 259.397 2.259 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@@H]([C@@H](C)[NH3+])C3)c2c1C ZINC000647704949 395746864 /nfs/dbraw/zinc/74/68/64/395746864.db2.gz PPKSXMIQDUGNHT-ZYHUDNBSSA-N 2 1 273.384 2.138 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000647788005 395754481 /nfs/dbraw/zinc/75/44/81/395754481.db2.gz BONDOGTUGUHFPH-NQNKBUKLSA-N 3 1 279.472 2.085 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000647788005 395754483 /nfs/dbraw/zinc/75/44/83/395754483.db2.gz BONDOGTUGUHFPH-NQNKBUKLSA-N 3 1 279.472 2.085 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC[C@@H]1[NH3+] ZINC000647938668 395780299 /nfs/dbraw/zinc/78/02/99/395780299.db2.gz RIKMOJNRRLENRC-KFWWJZLASA-N 2 1 283.460 2.080 20 0 CEADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC[C@@H]1[NH3+] ZINC000647938668 395780301 /nfs/dbraw/zinc/78/03/01/395780301.db2.gz RIKMOJNRRLENRC-KFWWJZLASA-N 2 1 283.460 2.080 20 0 CEADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+](C)CCC[NH3+])cc1 ZINC000647848999 395763496 /nfs/dbraw/zinc/76/34/96/395763496.db2.gz DARGCCUHPWCDHI-KBPBESRZSA-N 2 1 291.439 2.095 20 0 CEADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+])cc1 ZINC000647848999 395763498 /nfs/dbraw/zinc/76/34/98/395763498.db2.gz DARGCCUHPWCDHI-KBPBESRZSA-N 2 1 291.439 2.095 20 0 CEADMP C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000647870910 395766321 /nfs/dbraw/zinc/76/63/21/395766321.db2.gz MFIGZTJCQRWOPT-LBPRGKRZSA-N 2 1 270.323 2.329 20 0 CEADMP CO[C@](C)(C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000647911015 395772471 /nfs/dbraw/zinc/77/24/71/395772471.db2.gz NSUTUDPNSCVFQT-BPLDGKMQSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@](C)(C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C1CC1 ZINC000647911015 395772472 /nfs/dbraw/zinc/77/24/72/395772472.db2.gz NSUTUDPNSCVFQT-BPLDGKMQSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@](C)(C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000647911015 395772473 /nfs/dbraw/zinc/77/24/73/395772473.db2.gz NSUTUDPNSCVFQT-BPLDGKMQSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@](C)(C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000647911015 395772475 /nfs/dbraw/zinc/77/24/75/395772475.db2.gz NSUTUDPNSCVFQT-BPLDGKMQSA-N 2 1 254.418 2.216 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000648177003 395854281 /nfs/dbraw/zinc/85/42/81/395854281.db2.gz XEFCDTYNAAUACV-TZMCWYRMSA-N 2 1 292.427 2.030 20 0 CEADMP CCOCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978440 395794213 /nfs/dbraw/zinc/79/42/13/395794213.db2.gz RUWBVSZSHLKTBM-CABCVRRESA-N 2 1 254.418 2.125 20 0 CEADMP c1nc2ccccc2n1C[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647989941 395796691 /nfs/dbraw/zinc/79/66/91/395796691.db2.gz GOVRZNJEGJJJPY-LSDHHAIUSA-N 2 1 284.407 2.110 20 0 CEADMP COc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc2ccccc21 ZINC000648385199 395899133 /nfs/dbraw/zinc/89/91/33/395899133.db2.gz KFSOGDPPQDJFGP-HOTGVXAUSA-N 2 1 282.387 2.500 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1 ZINC000648721345 395966728 /nfs/dbraw/zinc/96/67/28/395966728.db2.gz CCQXWJBTWWRBPH-CQSZACIVSA-N 2 1 266.360 2.171 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](F)C2)cc1 ZINC000648721345 395966732 /nfs/dbraw/zinc/96/67/32/395966732.db2.gz CCQXWJBTWWRBPH-CQSZACIVSA-N 2 1 266.360 2.171 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CCC([NH+]2CCCCC2)CC1 ZINC000649489146 396167324 /nfs/dbraw/zinc/16/73/24/396167324.db2.gz NDAJOYWKDOEXJK-MRXNPFEDSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@H+](C/C=C\c1ccccc1)CCO2 ZINC000646103139 396293928 /nfs/dbraw/zinc/29/39/28/396293928.db2.gz DHNJWGBNBBURPT-YVMONPNESA-N 2 1 286.419 2.496 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](C/C=C\c1ccccc1)CCO2 ZINC000646103139 396293929 /nfs/dbraw/zinc/29/39/29/396293929.db2.gz DHNJWGBNBBURPT-YVMONPNESA-N 2 1 286.419 2.496 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000646188249 396310158 /nfs/dbraw/zinc/31/01/58/396310158.db2.gz QEKIEAJGLIZAPW-SOUVJXGZSA-N 2 1 298.475 2.066 20 0 CEADMP C[C@H](c1nc([C@H]2CCC[NH2+]2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000647145852 396418607 /nfs/dbraw/zinc/41/86/07/396418607.db2.gz GLSCSGCDNJMIIO-WRWGMCAJSA-N 2 1 264.373 2.428 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CCC(F)(F)CC1 ZINC000647182180 396432145 /nfs/dbraw/zinc/43/21/45/396432145.db2.gz MDAPHPYTGFLAIF-AWEZNQCLSA-N 2 1 290.398 2.391 20 0 CEADMP C=Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647249177 396449960 /nfs/dbraw/zinc/44/99/60/396449960.db2.gz HGAGKJKCVNCXLX-MSOLQXFVSA-N 2 1 296.418 2.419 20 0 CEADMP C=Cn1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647249177 396449963 /nfs/dbraw/zinc/44/99/63/396449963.db2.gz HGAGKJKCVNCXLX-MSOLQXFVSA-N 2 1 296.418 2.419 20 0 CEADMP C[C@H]1CC[C@@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)O1 ZINC000366903308 300037222 /nfs/dbraw/zinc/03/72/22/300037222.db2.gz OJJQYLCZXAHTOO-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C(C)C ZINC000037917773 400121516 /nfs/dbraw/zinc/12/15/16/400121516.db2.gz FOWOKUFWWYVFFF-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C(C)C ZINC000037917773 400121518 /nfs/dbraw/zinc/12/15/18/400121518.db2.gz FOWOKUFWWYVFFF-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CO[C@@]1(C)C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000162418665 285928322 /nfs/dbraw/zinc/92/83/22/285928322.db2.gz GOPNHFZQPWSINS-HOCLYGCPSA-N 2 1 266.429 2.406 20 0 CEADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2CCCOC2)cc1 ZINC000399637061 400564989 /nfs/dbraw/zinc/56/49/89/400564989.db2.gz XNPAUUDZLQIHJB-KTGAGVNESA-N 2 1 286.419 2.276 20 0 CEADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2CCCOC2)cc1 ZINC000399637061 400564993 /nfs/dbraw/zinc/56/49/93/400564993.db2.gz XNPAUUDZLQIHJB-KTGAGVNESA-N 2 1 286.419 2.276 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907159 400754032 /nfs/dbraw/zinc/75/40/32/400754032.db2.gz KFFDCBRRDYIADN-GFCCVEGCSA-N 2 1 255.312 2.313 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907159 400754035 /nfs/dbraw/zinc/75/40/35/400754035.db2.gz KFFDCBRRDYIADN-GFCCVEGCSA-N 2 1 255.312 2.313 20 0 CEADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000156786090 289203005 /nfs/dbraw/zinc/20/30/05/289203005.db2.gz ZYFBNNZUMCCLGE-GJZGRUSLSA-N 2 1 255.450 2.038 20 0 CEADMP CCC[NH+](CC)CCN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000156786090 289203006 /nfs/dbraw/zinc/20/30/06/289203006.db2.gz ZYFBNNZUMCCLGE-GJZGRUSLSA-N 2 1 255.450 2.038 20 0 CEADMP Cc1cccnc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707574 400997989 /nfs/dbraw/zinc/99/79/89/400997989.db2.gz IVWUFLZVFAQZPE-ZMSDIMECSA-N 2 1 289.423 2.108 20 0 CEADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000650716665 401006508 /nfs/dbraw/zinc/00/65/08/401006508.db2.gz GIIRDEDMEUIYPY-BHYGNILZSA-N 3 1 291.414 2.295 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)nc1 ZINC000650722898 401010940 /nfs/dbraw/zinc/01/09/40/401010940.db2.gz DHFXVKUOLVXFNL-OIISXLGYSA-N 2 1 289.423 2.251 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cncs2)C1 ZINC000650723954 401011157 /nfs/dbraw/zinc/01/11/57/401011157.db2.gz WDJKHNKPGNBLSH-XBFCOCLRSA-N 2 1 281.425 2.004 20 0 CEADMP [NH3+]CCC1CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000650721393 401012326 /nfs/dbraw/zinc/01/23/26/401012326.db2.gz CZZOAMIVGFVVHZ-UHFFFAOYSA-N 2 1 298.434 2.492 20 0 CEADMP c1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CN2 ZINC000650747585 401023954 /nfs/dbraw/zinc/02/39/54/401023954.db2.gz CVRVHHWGLXUYQM-OAHLLOKOSA-N 2 1 271.408 2.240 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000650755844 401032530 /nfs/dbraw/zinc/03/25/30/401032530.db2.gz OCNKCLVLSXSJRJ-CYBMUJFWSA-N 2 1 284.407 2.400 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000650755233 401032563 /nfs/dbraw/zinc/03/25/63/401032563.db2.gz AGLLTUQYULPZMF-UHFFFAOYSA-N 3 1 273.424 2.122 20 0 CEADMP C[NH2+]Cc1ccccc1CNC1CC[NH+](C2CC2)CC1 ZINC000650755233 401032566 /nfs/dbraw/zinc/03/25/66/401032566.db2.gz AGLLTUQYULPZMF-UHFFFAOYSA-N 2 1 273.424 2.122 20 0 CEADMP C[C@@H]([NH2+]C1(CO)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000360013614 155190944 /nfs/dbraw/zinc/19/09/44/155190944.db2.gz HAHFJBRNAONJGX-WBVHZDCISA-N 2 1 288.435 2.402 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000651491443 401349497 /nfs/dbraw/zinc/34/94/97/401349497.db2.gz YKQRBSCKQBUHRY-DZGCQCFKSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000651482234 401347650 /nfs/dbraw/zinc/34/76/50/401347650.db2.gz IJFSZCQXMGZTRG-AWEZNQCLSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000651482234 401347653 /nfs/dbraw/zinc/34/76/53/401347653.db2.gz IJFSZCQXMGZTRG-AWEZNQCLSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000651865680 401405663 /nfs/dbraw/zinc/40/56/63/401405663.db2.gz DJPVIUHPEONEJR-CVEARBPZSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000651865680 401405664 /nfs/dbraw/zinc/40/56/64/401405664.db2.gz DJPVIUHPEONEJR-CVEARBPZSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651865680 401405665 /nfs/dbraw/zinc/40/56/65/401405665.db2.gz DJPVIUHPEONEJR-CVEARBPZSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000651865680 401405666 /nfs/dbraw/zinc/40/56/66/401405666.db2.gz DJPVIUHPEONEJR-CVEARBPZSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000651865680 401405667 /nfs/dbraw/zinc/40/56/67/401405667.db2.gz DJPVIUHPEONEJR-CVEARBPZSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000651865680 401405668 /nfs/dbraw/zinc/40/56/68/401405668.db2.gz DJPVIUHPEONEJR-CVEARBPZSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651865680 401405669 /nfs/dbraw/zinc/40/56/69/401405669.db2.gz DJPVIUHPEONEJR-CVEARBPZSA-N 3 1 267.461 2.181 20 0 CEADMP c1cc([C@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n[nH]1 ZINC000652337161 401490071 /nfs/dbraw/zinc/49/00/71/401490071.db2.gz ONDNDXNJEMCQSK-INIZCTEOSA-N 2 1 296.418 2.435 20 0 CEADMP c1cc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)[nH]n1 ZINC000652337161 401490074 /nfs/dbraw/zinc/49/00/74/401490074.db2.gz ONDNDXNJEMCQSK-INIZCTEOSA-N 2 1 296.418 2.435 20 0 CEADMP c1cc([C@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)[nH]n1 ZINC000652337161 401490078 /nfs/dbraw/zinc/49/00/78/401490078.db2.gz ONDNDXNJEMCQSK-INIZCTEOSA-N 2 1 296.418 2.435 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC000652348088 401490422 /nfs/dbraw/zinc/49/04/22/401490422.db2.gz UIMOHAQINWYMLV-RBSFLKMASA-N 2 1 252.402 2.005 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)oc1C ZINC000652348410 401491248 /nfs/dbraw/zinc/49/12/48/401491248.db2.gz CRNCDNZZKYSUKT-SOUVJXGZSA-N 2 1 293.411 2.010 20 0 CEADMP C[C@H](c1ccncc1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349444 401491831 /nfs/dbraw/zinc/49/18/31/401491831.db2.gz OXUJQDVZFSVHSN-BSWAZPDLSA-N 2 1 289.423 2.361 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)[C@H](C)CO1 ZINC000652353629 401491943 /nfs/dbraw/zinc/49/19/43/401491943.db2.gz WLUKQXMEJHUMCN-FVQBIDKESA-N 2 1 292.423 2.237 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)[C@H](C)CO1 ZINC000652353629 401491945 /nfs/dbraw/zinc/49/19/45/401491945.db2.gz WLUKQXMEJHUMCN-FVQBIDKESA-N 2 1 292.423 2.237 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC2CCC2)C1 ZINC000652361911 401494237 /nfs/dbraw/zinc/49/42/37/401494237.db2.gz SHMJNVSJALDDRM-QLFBSQMISA-N 2 1 252.402 2.147 20 0 CEADMP CC(C)CCOCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652362826 401494474 /nfs/dbraw/zinc/49/44/74/401494474.db2.gz QZBBXDQKRDUXBH-ZACQAIPSSA-N 2 1 298.471 2.410 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCCCCF)C1 ZINC000652363515 401494876 /nfs/dbraw/zinc/49/48/76/401494876.db2.gz GXJSLFRIPWDMBC-ILXRZTDVSA-N 2 1 272.408 2.487 20 0 CEADMP CO[C@]1(C)CCC[NH+](CCC[N@@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348222831 286160224 /nfs/dbraw/zinc/16/02/24/286160224.db2.gz ANYBHWJSXIAVGE-IAGOWNOFSA-N 2 1 298.471 2.378 20 0 CEADMP CC(C)n1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cn1 ZINC000360791391 155373756 /nfs/dbraw/zinc/37/37/56/155373756.db2.gz MXQFTTXRNCPUAX-BRWVUGGUSA-N 2 1 288.439 2.380 20 0 CEADMP C[N@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC000188323457 153050668 /nfs/dbraw/zinc/05/06/68/153050668.db2.gz ZBCQHIMIUORAPM-GOSISDBHSA-N 2 1 288.435 2.498 20 0 CEADMP C[N@@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC000188323457 153050672 /nfs/dbraw/zinc/05/06/72/153050672.db2.gz ZBCQHIMIUORAPM-GOSISDBHSA-N 2 1 288.435 2.498 20 0 CEADMP C[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000188323457 153050676 /nfs/dbraw/zinc/05/06/76/153050676.db2.gz ZBCQHIMIUORAPM-GOSISDBHSA-N 2 1 288.435 2.498 20 0 CEADMP C[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000188323457 153050679 /nfs/dbraw/zinc/05/06/79/153050679.db2.gz ZBCQHIMIUORAPM-GOSISDBHSA-N 2 1 288.435 2.498 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)O1 ZINC000188556868 153057971 /nfs/dbraw/zinc/05/79/71/153057971.db2.gz SZWPRSCKBXFFES-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1CC[C@H](C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)O1 ZINC000188556868 153057976 /nfs/dbraw/zinc/05/79/76/153057976.db2.gz SZWPRSCKBXFFES-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1CC[C@H](C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)O1 ZINC000188556868 153057983 /nfs/dbraw/zinc/05/79/83/153057983.db2.gz SZWPRSCKBXFFES-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1CC[C@H](C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)O1 ZINC000188556868 153057987 /nfs/dbraw/zinc/05/79/87/153057987.db2.gz SZWPRSCKBXFFES-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP FC(F)COCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000189368659 153091000 /nfs/dbraw/zinc/09/10/00/153091000.db2.gz IHQWDBMAWFDAHC-ZDUSSCGKSA-N 2 1 276.371 2.218 20 0 CEADMP FC(F)COCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000189368659 153091005 /nfs/dbraw/zinc/09/10/05/153091005.db2.gz IHQWDBMAWFDAHC-ZDUSSCGKSA-N 2 1 276.371 2.218 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CC2CCCC2)CC[N@@H+]1C ZINC000190633237 153139430 /nfs/dbraw/zinc/13/94/30/153139430.db2.gz VOTIRIPTPOZUJX-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CC2CCCC2)CC[N@H+]1C ZINC000190633237 153139433 /nfs/dbraw/zinc/13/94/33/153139433.db2.gz VOTIRIPTPOZUJX-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CC2CCCC2)CC[NH+]1C ZINC000190633237 153139435 /nfs/dbraw/zinc/13/94/35/153139435.db2.gz VOTIRIPTPOZUJX-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CC2CCCC2)CC[NH+]1C ZINC000190633237 153139438 /nfs/dbraw/zinc/13/94/38/153139438.db2.gz VOTIRIPTPOZUJX-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000191471557 153178021 /nfs/dbraw/zinc/17/80/21/153178021.db2.gz MKVITEMMIPHHBA-INIZCTEOSA-N 2 1 297.487 2.203 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000191471557 153178026 /nfs/dbraw/zinc/17/80/26/153178026.db2.gz MKVITEMMIPHHBA-INIZCTEOSA-N 2 1 297.487 2.203 20 0 CEADMP C[NH+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192634941 153216046 /nfs/dbraw/zinc/21/60/46/153216046.db2.gz SQWFLCDZLOSXBV-AYHJJNSGSA-N 3 1 287.451 2.463 20 0 CEADMP C[NH+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192634941 153216048 /nfs/dbraw/zinc/21/60/48/153216048.db2.gz SQWFLCDZLOSXBV-AYHJJNSGSA-N 2 1 287.451 2.463 20 0 CEADMP C[NH+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192634941 153216049 /nfs/dbraw/zinc/21/60/49/153216049.db2.gz SQWFLCDZLOSXBV-AYHJJNSGSA-N 2 1 287.451 2.463 20 0 CEADMP Cc1nccn1C[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192823972 153219133 /nfs/dbraw/zinc/21/91/33/153219133.db2.gz IYJIYTHECNOSHR-OHRKKDJYSA-N 2 1 276.428 2.042 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192823972 153219135 /nfs/dbraw/zinc/21/91/35/153219135.db2.gz IYJIYTHECNOSHR-OHRKKDJYSA-N 3 1 276.428 2.042 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192823972 153219138 /nfs/dbraw/zinc/21/91/38/153219138.db2.gz IYJIYTHECNOSHR-OHRKKDJYSA-N 3 1 276.428 2.042 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000192932579 153225626 /nfs/dbraw/zinc/22/56/26/153225626.db2.gz DVVIEKCCAXGKPX-LMINUHAASA-N 2 1 265.445 2.074 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000192932579 153225629 /nfs/dbraw/zinc/22/56/29/153225629.db2.gz DVVIEKCCAXGKPX-LMINUHAASA-N 3 1 265.445 2.074 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000192932579 153225635 /nfs/dbraw/zinc/22/56/35/153225635.db2.gz DVVIEKCCAXGKPX-LMINUHAASA-N 3 1 265.445 2.074 20 0 CEADMP CC(C)OCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193279360 153230468 /nfs/dbraw/zinc/23/04/68/153230468.db2.gz RFXCHADDJVOBRY-GOOCMWNKSA-N 2 1 254.418 2.406 20 0 CEADMP Cc1noc([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000193476994 153234811 /nfs/dbraw/zinc/23/48/11/153234811.db2.gz UICNCXWSYDVHFA-HNNXBMFYSA-N 2 1 292.427 2.433 20 0 CEADMP Cc1noc([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000193476994 153234816 /nfs/dbraw/zinc/23/48/16/153234816.db2.gz UICNCXWSYDVHFA-HNNXBMFYSA-N 2 1 292.427 2.433 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000194881137 153264667 /nfs/dbraw/zinc/26/46/67/153264667.db2.gz SLEANMBCUPEELB-QGZVFWFLSA-N 2 1 296.455 2.384 20 0 CEADMP C[C@H](CC[NH3+])[NH2+]Cc1cc(Br)ccc1F ZINC000220521232 153305170 /nfs/dbraw/zinc/30/51/70/153305170.db2.gz MJWDMSACEBMOMP-MRVPVSSYSA-N 2 1 275.165 2.415 20 0 CEADMP COC1CC([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000220828122 153305306 /nfs/dbraw/zinc/30/53/06/153305306.db2.gz BJYOZNADOAOLRD-UHFFFAOYSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@](C)(O)CC1 ZINC000230375960 153395667 /nfs/dbraw/zinc/39/56/67/153395667.db2.gz YCQHHJLNQZDLNX-HUUCEWRRSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000230375960 153395670 /nfs/dbraw/zinc/39/56/70/153395670.db2.gz YCQHHJLNQZDLNX-HUUCEWRRSA-N 2 1 254.418 2.098 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000262967533 154002369 /nfs/dbraw/zinc/00/23/69/154002369.db2.gz LKQVZVCQBIMMKH-ZOBUZTSGSA-N 2 1 295.471 2.084 20 0 CEADMP CC[NH+](CC)[C@H](CN[C@H]1C[N@@H+](C)C[C@@H]1C)CC(C)C ZINC000343267905 154262944 /nfs/dbraw/zinc/26/29/44/154262944.db2.gz HLKXFSZVGWTAGG-JYJNAYRXSA-N 2 1 269.477 2.283 20 0 CEADMP C[N@@H+](Cc1cccc2c1NCC2)C[C@H]1CCC[NH+](C)C1 ZINC000346813968 154296377 /nfs/dbraw/zinc/29/63/77/154296377.db2.gz BHRNDVHNMXMXIE-AWEZNQCLSA-N 2 1 273.424 2.428 20 0 CEADMP C[N@H+](Cc1cccc2c1NCC2)C[C@H]1CCC[NH+](C)C1 ZINC000346813968 154296382 /nfs/dbraw/zinc/29/63/82/154296382.db2.gz BHRNDVHNMXMXIE-AWEZNQCLSA-N 2 1 273.424 2.428 20 0 CEADMP C[NH+](Cc1cccc2c1NCC2)C[C@H]1CCC[N@H+](C)C1 ZINC000346813968 154296385 /nfs/dbraw/zinc/29/63/85/154296385.db2.gz BHRNDVHNMXMXIE-AWEZNQCLSA-N 2 1 273.424 2.428 20 0 CEADMP C[NH+](Cc1cccc2c1NCC2)C[C@H]1CCC[N@@H+](C)C1 ZINC000346813968 154296391 /nfs/dbraw/zinc/29/63/91/154296391.db2.gz BHRNDVHNMXMXIE-AWEZNQCLSA-N 2 1 273.424 2.428 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000349115471 154312097 /nfs/dbraw/zinc/31/20/97/154312097.db2.gz CZBCTRLMRHLLGG-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000349115471 154312102 /nfs/dbraw/zinc/31/21/02/154312102.db2.gz CZBCTRLMRHLLGG-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000349115471 154312108 /nfs/dbraw/zinc/31/21/08/154312108.db2.gz CZBCTRLMRHLLGG-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(O)CCCCCC2)s1 ZINC000352751021 154330271 /nfs/dbraw/zinc/33/02/71/154330271.db2.gz SNGRYGHTBQWJHP-UHFFFAOYSA-N 2 1 297.468 2.380 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(C)C ZINC000352779571 154339056 /nfs/dbraw/zinc/33/90/56/154339056.db2.gz WUUYEPJITIQWDR-SWLSCSKDSA-N 2 1 297.468 2.498 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000357071593 154374592 /nfs/dbraw/zinc/37/45/92/154374592.db2.gz JVKOHTWOCARJMI-INIZCTEOSA-N 2 1 262.397 2.059 20 0 CEADMP C[C@@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000357860177 154391955 /nfs/dbraw/zinc/39/19/55/154391955.db2.gz WMRBCWZFBMMZKF-HUUCEWRRSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CN1C1CC1 ZINC000357860177 154391960 /nfs/dbraw/zinc/39/19/60/154391960.db2.gz WMRBCWZFBMMZKF-HUUCEWRRSA-N 2 1 279.472 2.323 20 0 CEADMP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000359412443 155005125 /nfs/dbraw/zinc/00/51/25/155005125.db2.gz DYMPJZGOGCUBCR-GJZGRUSLSA-N 2 1 292.423 2.032 20 0 CEADMP CCCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000359459221 155019274 /nfs/dbraw/zinc/01/92/74/155019274.db2.gz NOAIGWZVUDOZIM-GASCZTMLSA-N 2 1 290.407 2.135 20 0 CEADMP CCCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000359459221 155019278 /nfs/dbraw/zinc/01/92/78/155019278.db2.gz NOAIGWZVUDOZIM-GASCZTMLSA-N 2 1 290.407 2.135 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000359472110 155024032 /nfs/dbraw/zinc/02/40/32/155024032.db2.gz KMPSVSDXSNGVKH-YUELXQCFSA-N 2 1 292.398 2.164 20 0 CEADMP CCc1ccc([C@@H](CO)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000359628524 155085760 /nfs/dbraw/zinc/08/57/60/155085760.db2.gz VPWCYOYTKJAGRA-DLBZAZTESA-N 2 1 276.424 2.356 20 0 CEADMP CCc1ccc([C@@H](CO)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000359628524 155085764 /nfs/dbraw/zinc/08/57/64/155085764.db2.gz VPWCYOYTKJAGRA-DLBZAZTESA-N 2 1 276.424 2.356 20 0 CEADMP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)[NH+](CC)CC ZINC000359803078 155130225 /nfs/dbraw/zinc/13/02/25/155130225.db2.gz USFCWEHUXLYFCX-ARFHVFGLSA-N 2 1 297.487 2.438 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOCC2(CCC2)C1 ZINC000363885235 156047462 /nfs/dbraw/zinc/04/74/62/156047462.db2.gz IEEWORQPMCYNPY-UHFFFAOYSA-N 2 1 263.385 2.084 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCOCC2(CCC2)C1 ZINC000363885235 156047465 /nfs/dbraw/zinc/04/74/65/156047465.db2.gz IEEWORQPMCYNPY-UHFFFAOYSA-N 2 1 263.385 2.084 20 0 CEADMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c2)[C@@H]1c1cccnc1 ZINC000364674273 156067611 /nfs/dbraw/zinc/06/76/11/156067611.db2.gz PAABZJNEZXEFLV-HOTGVXAUSA-N 2 1 270.380 2.192 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c2)[C@@H]1c1cccnc1 ZINC000364674273 156067617 /nfs/dbraw/zinc/06/76/17/156067617.db2.gz PAABZJNEZXEFLV-HOTGVXAUSA-N 2 1 270.380 2.192 20 0 CEADMP C(C[N@H+]1CCC[C@@]12CCOC2)C[NH+]1CCCCC1 ZINC000367457177 156188991 /nfs/dbraw/zinc/18/89/91/156188991.db2.gz FJAFOTAZZGDAJF-HNNXBMFYSA-N 2 1 252.402 2.117 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000367467971 156194370 /nfs/dbraw/zinc/19/43/70/156194370.db2.gz ZSZHEOODNXCTDA-FMKPAKJESA-N 2 1 287.407 2.012 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000367467971 156194374 /nfs/dbraw/zinc/19/43/74/156194374.db2.gz ZSZHEOODNXCTDA-FMKPAKJESA-N 2 1 287.407 2.012 20 0 CEADMP Cc1ccc(O)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000367467971 156194378 /nfs/dbraw/zinc/19/43/78/156194378.db2.gz ZSZHEOODNXCTDA-FMKPAKJESA-N 2 1 287.407 2.012 20 0 CEADMP Cc1ccc(O)c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000367467971 156194381 /nfs/dbraw/zinc/19/43/81/156194381.db2.gz ZSZHEOODNXCTDA-FMKPAKJESA-N 2 1 287.407 2.012 20 0 CEADMP Cc1n[nH]cc1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367547812 156202249 /nfs/dbraw/zinc/20/22/49/156202249.db2.gz AOTJCUCREWWCHO-XHSDSOJGSA-N 2 1 276.428 2.113 20 0 CEADMP COc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367612657 156212516 /nfs/dbraw/zinc/21/25/16/156212516.db2.gz DSOAPSCQYMIXNX-ZNMIVQPWSA-N 2 1 275.396 2.053 20 0 CEADMP COc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367612657 156212521 /nfs/dbraw/zinc/21/25/21/156212521.db2.gz DSOAPSCQYMIXNX-ZNMIVQPWSA-N 2 1 275.396 2.053 20 0 CEADMP COc1ccc(F)cc1C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000368272185 156316116 /nfs/dbraw/zinc/31/61/16/156316116.db2.gz FTNIRMCJFDNDCS-LBPRGKRZSA-N 2 1 275.327 2.205 20 0 CEADMP CC(C)CCOCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368351801 156327037 /nfs/dbraw/zinc/32/70/37/156327037.db2.gz KWJRULOTMCYULE-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368351801 156327041 /nfs/dbraw/zinc/32/70/41/156327041.db2.gz KWJRULOTMCYULE-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368351801 156327044 /nfs/dbraw/zinc/32/70/44/156327044.db2.gz KWJRULOTMCYULE-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP Cc1n[nH]cc1C1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000375337273 157079614 /nfs/dbraw/zinc/07/96/14/157079614.db2.gz RGCVZNCCIFFJBN-UHFFFAOYSA-N 2 1 287.411 2.493 20 0 CEADMP COC(=O)c1coc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000375474459 157100676 /nfs/dbraw/zinc/10/06/76/157100676.db2.gz QXOZTBGVFNGMMD-UHFFFAOYSA-N 2 1 292.379 2.126 20 0 CEADMP COC(=O)c1coc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000375474459 157100678 /nfs/dbraw/zinc/10/06/78/157100678.db2.gz QXOZTBGVFNGMMD-UHFFFAOYSA-N 2 1 292.379 2.126 20 0 CEADMP C(C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375469391 157101352 /nfs/dbraw/zinc/10/13/52/157101352.db2.gz MAEZVDFFPQRRJX-CQSZACIVSA-N 2 1 290.411 2.222 20 0 CEADMP C(C[NH+]1CCCC1)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375469391 157101354 /nfs/dbraw/zinc/10/13/54/157101354.db2.gz MAEZVDFFPQRRJX-CQSZACIVSA-N 2 1 290.411 2.222 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+]CC2(C)COC2)[C@H]1c1cccs1 ZINC000375750806 157137012 /nfs/dbraw/zinc/13/70/12/157137012.db2.gz ONUOWYGVIPUTFI-OCCSQVGLSA-N 2 1 280.437 2.367 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nccn2C(F)F)[C@@H]2CCC[C@H]21 ZINC000375897185 157159921 /nfs/dbraw/zinc/15/99/21/157159921.db2.gz DZNHODYSOIWPGX-SDDRHHMPSA-N 2 1 284.354 2.241 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2nccn2C(F)F)[C@@H]2CCC[C@H]21 ZINC000375897185 157159926 /nfs/dbraw/zinc/15/99/26/157159926.db2.gz DZNHODYSOIWPGX-SDDRHHMPSA-N 2 1 284.354 2.241 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnn3ccccc23)[C@@H]2CCC[C@H]21 ZINC000376110912 157186484 /nfs/dbraw/zinc/18/64/84/157186484.db2.gz CANOHXXGWAPFRA-YQQAZPJKSA-N 2 1 284.407 2.297 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCC[NH+](C)C1 ZINC000531616780 298113058 /nfs/dbraw/zinc/11/30/58/298113058.db2.gz UKQPANVRYJRURS-JKSUJKDBSA-N 2 1 267.461 2.134 20 0 CEADMP CN(CC[C@H]1CCCC[NH+]1C)C[C@H]1CCC[N@H+](C)C1 ZINC000531616780 298113061 /nfs/dbraw/zinc/11/30/61/298113061.db2.gz UKQPANVRYJRURS-JKSUJKDBSA-N 2 1 267.461 2.134 20 0 CEADMP CN(CC[C@H]1CCCC[NH+]1C)C[C@H]1CCC[N@@H+](C)C1 ZINC000531616780 298113062 /nfs/dbraw/zinc/11/30/62/298113062.db2.gz UKQPANVRYJRURS-JKSUJKDBSA-N 2 1 267.461 2.134 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000164719081 162337204 /nfs/dbraw/zinc/33/72/04/162337204.db2.gz PAHZEUBVOQHXBF-ABAIWWIYSA-N 2 1 268.351 2.437 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000164858694 162338793 /nfs/dbraw/zinc/33/87/93/162338793.db2.gz VYGKNUDGAZKUFY-BZUAXINKSA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000164858694 162338802 /nfs/dbraw/zinc/33/88/02/162338802.db2.gz VYGKNUDGAZKUFY-BZUAXINKSA-N 2 1 267.461 2.323 20 0 CEADMP CCn1cc([C@H](C)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cn1 ZINC000166290933 162347170 /nfs/dbraw/zinc/34/71/70/162347170.db2.gz HQCRYBBBJOXMNO-OBJOEFQTSA-N 2 1 262.401 2.179 20 0 CEADMP C[C@H]1C[C@@H](NCc2cncc(Br)c2)CC[N@H+]1C ZINC000166916077 162354553 /nfs/dbraw/zinc/35/45/53/162354553.db2.gz CJJXGFSBHGVYOP-GWCFXTLKSA-N 2 1 298.228 2.416 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cncc(Br)c2)CCN1C ZINC000166916077 162354557 /nfs/dbraw/zinc/35/45/57/162354557.db2.gz CJJXGFSBHGVYOP-GWCFXTLKSA-N 2 1 298.228 2.416 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000305759262 287022994 /nfs/dbraw/zinc/02/29/94/287022994.db2.gz IEHJZDASWCKFTC-HIFRSBDPSA-N 2 1 295.402 2.108 20 0 CEADMP CC(=O)NCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000171502381 165047144 /nfs/dbraw/zinc/04/71/44/165047144.db2.gz LNUQQKMQTGWGLB-QGZVFWFLSA-N 2 1 295.471 2.101 20 0 CEADMP CC(C)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000172245949 165053082 /nfs/dbraw/zinc/05/30/82/165053082.db2.gz ZZILETFULBBYEZ-UHFFFAOYSA-N 2 1 297.487 2.342 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cnn(C)c1 ZINC000178253649 165228520 /nfs/dbraw/zinc/22/85/20/165228520.db2.gz FDTPNSZXQYLWRY-MRXNPFEDSA-N 2 1 276.428 2.335 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000178522465 165243476 /nfs/dbraw/zinc/24/34/76/165243476.db2.gz YSYMHRXVUPSRGL-AWEZNQCLSA-N 2 1 292.423 2.193 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnn(CC(C)C)c1 ZINC000181789606 165356080 /nfs/dbraw/zinc/35/60/80/165356080.db2.gz ZZDVVJKCEBODLC-CQSZACIVSA-N 2 1 289.427 2.470 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CC[C@@H]1CCCO1)CC[NH2+]CC2 ZINC000335281800 287237372 /nfs/dbraw/zinc/23/73/72/287237372.db2.gz YLHCYVIXFKTDPN-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP [NH3+]C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000020521658 171235021 /nfs/dbraw/zinc/23/50/21/171235021.db2.gz QIXTXHJKQMEABL-UHFFFAOYSA-N 2 1 256.296 2.211 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)C1 ZINC000285663372 196358367 /nfs/dbraw/zinc/35/83/67/196358367.db2.gz MXAPGNDSSMATRD-LSDHHAIUSA-N 2 1 299.422 2.260 20 0 CEADMP FC(F)Oc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000038040690 174041236 /nfs/dbraw/zinc/04/12/36/174041236.db2.gz LKXLSHQUJAMHAW-UHFFFAOYSA-N 2 1 256.296 2.130 20 0 CEADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1 ZINC000040746589 174392026 /nfs/dbraw/zinc/39/20/26/174392026.db2.gz SSHAFSGHPZEYIM-YIONKMFJSA-N 2 1 290.407 2.419 20 0 CEADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1 ZINC000040746589 174392027 /nfs/dbraw/zinc/39/20/27/174392027.db2.gz SSHAFSGHPZEYIM-YIONKMFJSA-N 2 1 290.407 2.419 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662834396 414765654 /nfs/dbraw/zinc/76/56/54/414765654.db2.gz GLKWRZRWBLGTGH-RBSFLKMASA-N 2 1 295.471 2.144 20 0 CEADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1CC1 ZINC000121338051 414786276 /nfs/dbraw/zinc/78/62/76/414786276.db2.gz JPGYKWRTLSHCFJ-JONQDZQNSA-N 2 1 278.440 2.264 20 0 CEADMP COc1ccc(C)cc1CNCc1cnc2n1CCC2 ZINC000657296634 414839922 /nfs/dbraw/zinc/83/99/22/414839922.db2.gz CQCMEMXUBMGORQ-UHFFFAOYSA-N 2 1 271.364 2.436 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C(=O)OC)cc1 ZINC000230721521 414846942 /nfs/dbraw/zinc/84/69/42/414846942.db2.gz JLMJFWMVGHRMTB-UHFFFAOYSA-N 2 1 278.396 2.247 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(=O)OC)cc1 ZINC000230721521 414846945 /nfs/dbraw/zinc/84/69/45/414846945.db2.gz JLMJFWMVGHRMTB-UHFFFAOYSA-N 2 1 278.396 2.247 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C3CCC3)cnn2C)C1 ZINC000657316143 414855964 /nfs/dbraw/zinc/85/59/64/414855964.db2.gz ZGJMLPSTLCUVMP-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C3CCC3)cnn2C)C1 ZINC000657316143 414855969 /nfs/dbraw/zinc/85/59/69/414855969.db2.gz ZGJMLPSTLCUVMP-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CC1(C)C[N@@H+](CCCC2CC[NH2+]CC2)CCCO1 ZINC000311103648 414858064 /nfs/dbraw/zinc/85/80/64/414858064.db2.gz QHTPJWAVELVQEM-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663344012 414920613 /nfs/dbraw/zinc/92/06/13/414920613.db2.gz MCMMSCZTQWBIQZ-FGTMMUONSA-N 2 1 291.483 2.325 20 0 CEADMP C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344012 414920620 /nfs/dbraw/zinc/92/06/20/414920620.db2.gz MCMMSCZTQWBIQZ-FGTMMUONSA-N 2 1 291.483 2.325 20 0 CEADMP C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344012 414920623 /nfs/dbraw/zinc/92/06/23/414920623.db2.gz MCMMSCZTQWBIQZ-FGTMMUONSA-N 2 1 291.483 2.325 20 0 CEADMP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663344012 414920625 /nfs/dbraw/zinc/92/06/25/414920625.db2.gz MCMMSCZTQWBIQZ-FGTMMUONSA-N 3 1 291.483 2.325 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663344012 414920628 /nfs/dbraw/zinc/92/06/28/414920628.db2.gz MCMMSCZTQWBIQZ-FGTMMUONSA-N 3 1 291.483 2.325 20 0 CEADMP C([NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344012 414920632 /nfs/dbraw/zinc/92/06/32/414920632.db2.gz MCMMSCZTQWBIQZ-FGTMMUONSA-N 3 1 291.483 2.325 20 0 CEADMP C([NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344012 414920636 /nfs/dbraw/zinc/92/06/36/414920636.db2.gz MCMMSCZTQWBIQZ-FGTMMUONSA-N 3 1 291.483 2.325 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)C[N@H+]1C1CC1 ZINC000663345616 414923344 /nfs/dbraw/zinc/92/33/44/414923344.db2.gz LYJHLRVYAVUMLU-HYVNUMGLSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C[NH+]1C1CC1 ZINC000663345616 414923350 /nfs/dbraw/zinc/92/33/50/414923350.db2.gz LYJHLRVYAVUMLU-HYVNUMGLSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C[NH+]1C1CC1 ZINC000663345616 414923353 /nfs/dbraw/zinc/92/33/53/414923353.db2.gz LYJHLRVYAVUMLU-HYVNUMGLSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CN1C1CC1 ZINC000663345616 414923358 /nfs/dbraw/zinc/92/33/58/414923358.db2.gz LYJHLRVYAVUMLU-HYVNUMGLSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CN1C1CC1 ZINC000663345616 414923364 /nfs/dbraw/zinc/92/33/64/414923364.db2.gz LYJHLRVYAVUMLU-HYVNUMGLSA-N 2 1 291.483 2.323 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)CC1CCCC1)C2 ZINC000660661759 414925585 /nfs/dbraw/zinc/92/55/85/414925585.db2.gz GDRYIBRACVAKPB-IRXDYDNUSA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)CC1CCCC1)C2 ZINC000660661759 414925588 /nfs/dbraw/zinc/92/55/88/414925588.db2.gz GDRYIBRACVAKPB-IRXDYDNUSA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)CC1CCCC1)C2 ZINC000660661759 414925593 /nfs/dbraw/zinc/92/55/93/414925593.db2.gz GDRYIBRACVAKPB-IRXDYDNUSA-N 2 1 280.456 2.345 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)C1CCCCC1)C2 ZINC000660665486 414927537 /nfs/dbraw/zinc/92/75/37/414927537.db2.gz WLRKNFJPBXELCN-IAGOWNOFSA-N 2 1 280.456 2.345 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000653176366 414937309 /nfs/dbraw/zinc/93/73/09/414937309.db2.gz RNJDTUIAGBOBTN-MRXNPFEDSA-N 2 1 291.439 2.171 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000653176311 414937602 /nfs/dbraw/zinc/93/76/02/414937602.db2.gz PVKPZVQSLIZIGK-HOTGVXAUSA-N 2 1 297.487 2.378 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000663186782 414881755 /nfs/dbraw/zinc/88/17/55/414881755.db2.gz AAMHVRLZTCYUBP-OLZOCXBDSA-N 2 1 276.428 2.040 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CO1 ZINC000657500975 414978761 /nfs/dbraw/zinc/97/87/61/414978761.db2.gz SUFXIFXXJVQFCF-XDNAFOTISA-N 2 1 288.435 2.489 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000660757636 414962395 /nfs/dbraw/zinc/96/23/95/414962395.db2.gz IHEPIVMHEXZJTG-UGUYLWEFSA-N 2 1 270.461 2.492 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cnn(C)c1 ZINC000663467523 414964010 /nfs/dbraw/zinc/96/40/10/414964010.db2.gz GMKWAKVNEJSYTN-UKRRQHHQSA-N 2 1 276.428 2.193 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(C)c1 ZINC000663467523 414964016 /nfs/dbraw/zinc/96/40/16/414964016.db2.gz GMKWAKVNEJSYTN-UKRRQHHQSA-N 2 1 276.428 2.193 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCOC1 ZINC000663470619 414966639 /nfs/dbraw/zinc/96/66/39/414966639.db2.gz VMTWUGREVYHWMG-CWRNSKLLSA-N 2 1 266.429 2.123 20 0 CEADMP CCOC1CCC([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000657826105 415096693 /nfs/dbraw/zinc/09/66/93/415096693.db2.gz RNWCLMCOLHDVKJ-UHFFFAOYSA-N 2 1 254.418 2.408 20 0 CEADMP O[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657808511 415087098 /nfs/dbraw/zinc/08/70/98/415087098.db2.gz JHEBWTJBIFUNDV-ULQDDVLXSA-N 2 1 286.419 2.297 20 0 CEADMP O[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657808511 415087101 /nfs/dbraw/zinc/08/71/01/415087101.db2.gz JHEBWTJBIFUNDV-ULQDDVLXSA-N 2 1 286.419 2.297 20 0 CEADMP Cc1cc(CO)cc(NC[C@H]2CC[N@@H+](CC(C)C)C2)[nH+]1 ZINC000663709343 415023390 /nfs/dbraw/zinc/02/33/90/415023390.db2.gz NQLUSYGIECOKDT-CQSZACIVSA-N 2 1 277.412 2.272 20 0 CEADMP Cc1cc(CO)cc(NC[C@H]2CC[N@H+](CC(C)C)C2)[nH+]1 ZINC000663709343 415023395 /nfs/dbraw/zinc/02/33/95/415023395.db2.gz NQLUSYGIECOKDT-CQSZACIVSA-N 2 1 277.412 2.272 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN1CC(C)(C)[C@@H]1c1ccccc1 ZINC000653583617 415042097 /nfs/dbraw/zinc/04/20/97/415042097.db2.gz MBQOIASMTUVOHA-HOTGVXAUSA-N 2 1 276.424 2.382 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN1CC(C)(C)[C@H]1c1ccccc1 ZINC000653583619 415042742 /nfs/dbraw/zinc/04/27/42/415042742.db2.gz MBQOIASMTUVOHA-JKSUJKDBSA-N 2 1 276.424 2.382 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657840062 415101265 /nfs/dbraw/zinc/10/12/65/415101265.db2.gz LLSLSEQFHJAFPG-YESZJQIVSA-N 2 1 296.455 2.035 20 0 CEADMP OC[C@@H]1CCCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000653783260 415104696 /nfs/dbraw/zinc/10/46/96/415104696.db2.gz GWKQEBCDFFVPTM-HNNXBMFYSA-N 2 1 254.418 2.099 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657861286 415106973 /nfs/dbraw/zinc/10/69/73/415106973.db2.gz ICMZPGJRJAUHQA-LBPRGKRZSA-N 2 1 260.372 2.396 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](COC)CC2CCOCC2)C1 ZINC000657861732 415107203 /nfs/dbraw/zinc/10/72/03/415107203.db2.gz KULVIJBQQLTWMI-IRXDYDNUSA-N 2 1 298.471 2.140 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCn2nccc21 ZINC000657869727 415109485 /nfs/dbraw/zinc/10/94/85/415109485.db2.gz LFHJXTKQYNRANI-GXTWGEPZSA-N 2 1 273.384 2.149 20 0 CEADMP COC1CC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000658062107 415181676 /nfs/dbraw/zinc/18/16/76/415181676.db2.gz XZJVSBUACRWSLS-PEHJNBARSA-N 2 1 266.429 2.264 20 0 CEADMP CCn1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000044498885 175184480 /nfs/dbraw/zinc/18/44/80/175184480.db2.gz AOIAWVQKCKZGOL-QWHCGFSZSA-N 2 1 262.401 2.038 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000044530544 175195446 /nfs/dbraw/zinc/19/54/46/175195446.db2.gz ICCCTWSIYQQNLB-HNNXBMFYSA-N 2 1 270.380 2.043 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000658095454 415207535 /nfs/dbraw/zinc/20/75/35/415207535.db2.gz HHYHZIHWRXUFBN-CQSZACIVSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@]1(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1(F)F ZINC000658218149 415258966 /nfs/dbraw/zinc/25/89/66/415258966.db2.gz COPCTXQSEVRTDV-UONOGXRCSA-N 2 1 288.382 2.265 20 0 CEADMP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)O1 ZINC000658215225 415258989 /nfs/dbraw/zinc/25/89/89/415258989.db2.gz GDGYMXDECDOVPE-PVAVHDDUSA-N 2 1 296.455 2.177 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000661443232 415270851 /nfs/dbraw/zinc/27/08/51/415270851.db2.gz MYZIIOIMUAKXJY-GOEBONIOSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000661443232 415270855 /nfs/dbraw/zinc/27/08/55/415270855.db2.gz MYZIIOIMUAKXJY-GOEBONIOSA-N 2 1 279.428 2.455 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(O)cc32)CC[N@@H+]1C ZINC000658239958 415274278 /nfs/dbraw/zinc/27/42/78/415274278.db2.gz WYAGXZVWJNAJRR-KFNAQCHYSA-N 2 1 260.381 2.452 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(O)cc32)CC[N@H+]1C ZINC000658239958 415274281 /nfs/dbraw/zinc/27/42/81/415274281.db2.gz WYAGXZVWJNAJRR-KFNAQCHYSA-N 2 1 260.381 2.452 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661498970 415292862 /nfs/dbraw/zinc/29/28/62/415292862.db2.gz NONKPXKDPLBGIB-HOCLYGCPSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661498970 415292869 /nfs/dbraw/zinc/29/28/69/415292869.db2.gz NONKPXKDPLBGIB-HOCLYGCPSA-N 2 1 279.428 2.455 20 0 CEADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000658313168 415312207 /nfs/dbraw/zinc/31/22/07/415312207.db2.gz CGJWTTJCSYFDMV-UYTSQGDYSA-N 2 1 266.429 2.406 20 0 CEADMP CC1(C)OCC[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658326515 415319336 /nfs/dbraw/zinc/31/93/36/415319336.db2.gz CWQKLICQPYCAKR-GOEBONIOSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658348557 415330014 /nfs/dbraw/zinc/33/00/14/415330014.db2.gz BYRCGVITTICSKM-DZUCGIPZSA-N 2 1 274.408 2.010 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658348557 415330020 /nfs/dbraw/zinc/33/00/20/415330020.db2.gz BYRCGVITTICSKM-DZUCGIPZSA-N 2 1 274.408 2.010 20 0 CEADMP c1ccc(CN2CC[C@@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000658347448 415330819 /nfs/dbraw/zinc/33/08/19/415330819.db2.gz JLEFZDOLEVKYEO-LJQANCHMSA-N 2 1 299.462 2.477 20 0 CEADMP C1=CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655729924 415417401 /nfs/dbraw/zinc/41/74/01/415417401.db2.gz PXGFMQFZSBJJHB-HOCLYGCPSA-N 2 1 264.413 2.328 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH2+]C)c2)C1 ZINC000659017746 415387966 /nfs/dbraw/zinc/38/79/66/415387966.db2.gz BEMUCNHNZBLUNY-OAHLLOKOSA-N 2 1 290.411 2.012 20 0 CEADMP Cc1cnc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000655807263 415484443 /nfs/dbraw/zinc/48/44/43/415484443.db2.gz JLEHFSBEUBZKOT-UHFFFAOYSA-N 2 1 273.424 2.457 20 0 CEADMP C[C@@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)[N@H+]1CCCC[C@@H]1C ZINC000659291242 415491647 /nfs/dbraw/zinc/49/16/47/415491647.db2.gz FKKPWJUSHPWFDS-KBPBESRZSA-N 2 1 293.455 2.027 20 0 CEADMP COCC1(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000655770335 415448326 /nfs/dbraw/zinc/44/83/26/415448326.db2.gz HYLAWDKIKAUXPH-MRXNPFEDSA-N 2 1 296.455 2.036 20 0 CEADMP CC(C)C1([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655770289 415448361 /nfs/dbraw/zinc/44/83/61/415448361.db2.gz FTSGLRZBESZYDH-OAHLLOKOSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1cc(CO)cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)[nH+]1 ZINC000664679633 415451258 /nfs/dbraw/zinc/45/12/58/415451258.db2.gz XVEZMNWCOHWTOP-OAHLLOKOSA-N 2 1 289.423 2.416 20 0 CEADMP Cc1cc(CO)cc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)[nH+]1 ZINC000664679633 415451266 /nfs/dbraw/zinc/45/12/66/415451266.db2.gz XVEZMNWCOHWTOP-OAHLLOKOSA-N 2 1 289.423 2.416 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CS1 ZINC000655776661 415455492 /nfs/dbraw/zinc/45/54/92/415455492.db2.gz KQOBZOYFJHSFNJ-BPLDGKMQSA-N 2 1 284.469 2.113 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CS1 ZINC000655776663 415455864 /nfs/dbraw/zinc/45/58/64/415455864.db2.gz KQOBZOYFJHSFNJ-VHDGCEQUSA-N 2 1 284.469 2.113 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC(F)(F)F ZINC000655775772 415456633 /nfs/dbraw/zinc/45/66/33/415456633.db2.gz DMIHWRVKVAVHMZ-DGCLKSJQSA-N 2 1 294.361 2.418 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000655931942 415553094 /nfs/dbraw/zinc/55/30/94/415553094.db2.gz RBIUFBMJKACTSN-HNNXBMFYSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174050 175878964 /nfs/dbraw/zinc/87/89/64/175878964.db2.gz HWWWXODEVCWJQX-HZPDHXFCSA-N 2 1 297.487 2.186 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174050 175878965 /nfs/dbraw/zinc/87/89/65/175878965.db2.gz HWWWXODEVCWJQX-HZPDHXFCSA-N 2 1 297.487 2.186 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](OC3CCC3)C2)CC[NH2+]1 ZINC000656193713 415628899 /nfs/dbraw/zinc/62/88/99/415628899.db2.gz PZOUWLWZZRNULF-IIAWOOMASA-N 2 1 266.429 2.408 20 0 CEADMP c1ccc([C@H]2CC[NH2+]C[C@H]2N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000665251313 415651309 /nfs/dbraw/zinc/65/13/09/415651309.db2.gz MOBUTQISPKWEAE-WJFTUGDTSA-N 2 1 299.462 2.349 20 0 CEADMP CCc1nc(C)cc(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000656210156 415644335 /nfs/dbraw/zinc/64/43/35/415644335.db2.gz AWDWLINPSLBQGD-MCIONIFRSA-N 2 1 292.427 2.257 20 0 CEADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000665252624 415650084 /nfs/dbraw/zinc/65/00/84/415650084.db2.gz UUEVOBFZXAPAMQ-UURKPOQGSA-N 3 1 299.462 2.110 20 0 CEADMP O[C@H]1CC[N@H+](C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000662150093 415655957 /nfs/dbraw/zinc/65/59/57/415655957.db2.gz TXJCQLBSYBZNPL-HNNXBMFYSA-N 2 1 294.826 2.371 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000665265511 415657896 /nfs/dbraw/zinc/65/78/96/415657896.db2.gz XDSMLIKYHMSLFX-KGLIPLIRSA-N 2 1 262.401 2.047 20 0 CEADMP C[C@@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)c1c[nH+]ccc1N ZINC000665266674 415658055 /nfs/dbraw/zinc/65/80/55/415658055.db2.gz HHJYPNANRBQLGE-MFKMUULPSA-N 2 1 287.338 2.288 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000662159674 415663216 /nfs/dbraw/zinc/66/32/16/415663216.db2.gz CADPFRYMFJKKQF-GZBFAFLISA-N 2 1 254.418 2.095 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000662159674 415663220 /nfs/dbraw/zinc/66/32/20/415663220.db2.gz CADPFRYMFJKKQF-GZBFAFLISA-N 2 1 254.418 2.095 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000662159674 415663225 /nfs/dbraw/zinc/66/32/25/415663225.db2.gz CADPFRYMFJKKQF-GZBFAFLISA-N 2 1 254.418 2.095 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000662159674 415663231 /nfs/dbraw/zinc/66/32/31/415663231.db2.gz CADPFRYMFJKKQF-GZBFAFLISA-N 2 1 254.418 2.095 20 0 CEADMP CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(C)cc1 ZINC000665290622 415680410 /nfs/dbraw/zinc/68/04/10/415680410.db2.gz FTLHBSDSRACMQL-AWEZNQCLSA-N 2 1 286.379 2.190 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@H]1CCc2ccccc21)C1CC1 ZINC000662197951 415680865 /nfs/dbraw/zinc/68/08/65/415680865.db2.gz XNQCMANVRYJZPQ-WBVHZDCISA-N 2 1 288.435 2.103 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)C[C@H]1CCc2ccccc21)C1CC1 ZINC000662197951 415680869 /nfs/dbraw/zinc/68/08/69/415680869.db2.gz XNQCMANVRYJZPQ-WBVHZDCISA-N 2 1 288.435 2.103 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@H]1CCc2ccccc21 ZINC000662197951 415680875 /nfs/dbraw/zinc/68/08/75/415680875.db2.gz XNQCMANVRYJZPQ-WBVHZDCISA-N 2 1 288.435 2.103 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@H]1CCc2ccccc21 ZINC000662197951 415680881 /nfs/dbraw/zinc/68/08/81/415680881.db2.gz XNQCMANVRYJZPQ-WBVHZDCISA-N 2 1 288.435 2.103 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000665297273 415682983 /nfs/dbraw/zinc/68/29/83/415682983.db2.gz CGWJYUMNMBDWIO-NEPJUHHUSA-N 2 1 280.412 2.141 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000071147376 176043294 /nfs/dbraw/zinc/04/32/94/176043294.db2.gz BTSCARMUXUSRCW-LBPRGKRZSA-N 2 1 268.788 2.260 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000071147376 176043295 /nfs/dbraw/zinc/04/32/95/176043295.db2.gz BTSCARMUXUSRCW-LBPRGKRZSA-N 2 1 268.788 2.260 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255677 415721740 /nfs/dbraw/zinc/72/17/40/415721740.db2.gz DCIPUKONFQJXQF-SOUVJXGZSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(C[NH+](C)C)CC2)C1 ZINC000659843502 415726491 /nfs/dbraw/zinc/72/64/91/415726491.db2.gz AGKHJAPVKHINAJ-IYBDPMFKSA-N 2 1 281.488 2.238 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662263804 415729495 /nfs/dbraw/zinc/72/94/95/415729495.db2.gz NTHZXXVSAWWVAR-HNNXBMFYSA-N 3 1 287.451 2.106 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662263804 415729501 /nfs/dbraw/zinc/72/95/01/415729501.db2.gz NTHZXXVSAWWVAR-HNNXBMFYSA-N 3 1 287.451 2.106 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662263804 415729505 /nfs/dbraw/zinc/72/95/05/415729505.db2.gz NTHZXXVSAWWVAR-HNNXBMFYSA-N 3 1 287.451 2.106 20 0 CEADMP CC[N@H+](C)C[C@@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662263804 415729511 /nfs/dbraw/zinc/72/95/11/415729511.db2.gz NTHZXXVSAWWVAR-HNNXBMFYSA-N 2 1 287.451 2.106 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662263804 415729514 /nfs/dbraw/zinc/72/95/14/415729514.db2.gz NTHZXXVSAWWVAR-HNNXBMFYSA-N 2 1 287.451 2.106 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C1CCCC1 ZINC000662266332 415732603 /nfs/dbraw/zinc/73/26/03/415732603.db2.gz LZSVSVKUWOSCSF-ZJIFWQFVSA-N 2 1 266.429 2.251 20 0 CEADMP CO[C@H](C[N@@H+]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000662244362 415707397 /nfs/dbraw/zinc/70/73/97/415707397.db2.gz PQFSJADGPPFKBP-HUUCEWRRSA-N 2 1 254.418 2.395 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000662244362 415707404 /nfs/dbraw/zinc/70/74/04/415707404.db2.gz PQFSJADGPPFKBP-HUUCEWRRSA-N 2 1 254.418 2.395 20 0 CEADMP CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662249899 415710445 /nfs/dbraw/zinc/71/04/45/415710445.db2.gz URESZYZLJJIQGD-AWEZNQCLSA-N 2 1 252.402 2.162 20 0 CEADMP CO[C@@H](C[N@H+](C)[C@@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000662274031 415740153 /nfs/dbraw/zinc/74/01/53/415740153.db2.gz SGPHWMQVVLBMKQ-GJZGRUSLSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@@H](C[N@@H+](C)[C@@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000662274031 415740159 /nfs/dbraw/zinc/74/01/59/415740159.db2.gz SGPHWMQVVLBMKQ-GJZGRUSLSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@H](C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)C1CCC1 ZINC000662275160 415743752 /nfs/dbraw/zinc/74/37/52/415743752.db2.gz TUUNZWLMBJKTJL-OWCLPIDISA-N 2 1 266.429 2.408 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)C1CCC1 ZINC000662275160 415743755 /nfs/dbraw/zinc/74/37/55/415743755.db2.gz TUUNZWLMBJKTJL-OWCLPIDISA-N 2 1 266.429 2.408 20 0 CEADMP CCc1nocc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000662283444 415748049 /nfs/dbraw/zinc/74/80/49/415748049.db2.gz OHGTZYIZKWGJCX-UTUOFQBUSA-N 2 1 251.374 2.042 20 0 CEADMP CCc1nocc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000662283444 415748056 /nfs/dbraw/zinc/74/80/56/415748056.db2.gz OHGTZYIZKWGJCX-UTUOFQBUSA-N 2 1 251.374 2.042 20 0 CEADMP CC(C)c1noc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662297571 415762181 /nfs/dbraw/zinc/76/21/81/415762181.db2.gz RIAYAJAYJJYDIB-CQSZACIVSA-N 2 1 292.427 2.405 20 0 CEADMP CC(C)OCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297536 415762599 /nfs/dbraw/zinc/76/25/99/415762599.db2.gz RECDVBPWSGYDAA-OAHLLOKOSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)NCCC(C)(C)C)[C@@H]1CCC[NH3+] ZINC000662314055 415774218 /nfs/dbraw/zinc/77/42/18/415774218.db2.gz LVZXHDXEKAWTFZ-HUUCEWRRSA-N 2 1 297.487 2.378 20 0 CEADMP CO[C@H](C)c1noc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662315621 415774665 /nfs/dbraw/zinc/77/46/65/415774665.db2.gz UJVBLHYTEWKGOW-JHJVBQTASA-N 2 1 296.415 2.116 20 0 CEADMP CC(C)N1CCC[C@H]([N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])C1=O ZINC000662317064 415775312 /nfs/dbraw/zinc/77/53/12/415775312.db2.gz ZJFLVQZEAMRMKK-OAGGEKHMSA-N 2 1 295.471 2.225 20 0 CEADMP Cc1nccn1CCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662317093 415775466 /nfs/dbraw/zinc/77/54/66/415775466.db2.gz OBJJTUDGKHHINO-GDBMZVCRSA-N 2 1 278.444 2.421 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662317093 415775471 /nfs/dbraw/zinc/77/54/71/415775471.db2.gz OBJJTUDGKHHINO-GDBMZVCRSA-N 3 1 278.444 2.421 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662317093 415775474 /nfs/dbraw/zinc/77/54/74/415775474.db2.gz OBJJTUDGKHHINO-GDBMZVCRSA-N 3 1 278.444 2.421 20 0 CEADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H](CC(F)(F)F)O1 ZINC000662326108 415780561 /nfs/dbraw/zinc/78/05/61/415780561.db2.gz NWXLNXFWFFUDKX-DGCLKSJQSA-N 2 1 294.361 2.418 20 0 CEADMP CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326747 415785524 /nfs/dbraw/zinc/78/55/24/415785524.db2.gz BDLADTXNBLXZAK-UHFFFAOYSA-N 2 1 262.401 2.076 20 0 CEADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000662336207 415786619 /nfs/dbraw/zinc/78/66/19/415786619.db2.gz XNUQTJNWEVDCBS-KKUMJFAQSA-N 2 1 264.413 2.162 20 0 CEADMP C[C@@]1(C(F)F)C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662334907 415787136 /nfs/dbraw/zinc/78/71/36/415787136.db2.gz DAGJPQPETPJWGU-INIZCTEOSA-N 2 1 296.361 2.188 20 0 CEADMP C[C@@]1(C(F)F)C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662334907 415787139 /nfs/dbraw/zinc/78/71/39/415787139.db2.gz DAGJPQPETPJWGU-INIZCTEOSA-N 2 1 296.361 2.188 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)CCC[C@H]1C ZINC000659953110 415803201 /nfs/dbraw/zinc/80/32/01/415803201.db2.gz SISLKFSGVNASCT-RBSFLKMASA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000659953110 415803203 /nfs/dbraw/zinc/80/32/03/415803203.db2.gz SISLKFSGVNASCT-RBSFLKMASA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000659953110 415803209 /nfs/dbraw/zinc/80/32/09/415803209.db2.gz SISLKFSGVNASCT-RBSFLKMASA-N 2 1 256.434 2.198 20 0 CEADMP FC1(F)C[C@H]1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659955872 415806630 /nfs/dbraw/zinc/80/66/30/415806630.db2.gz FIBLNUOZYDSPTM-UONOGXRCSA-N 2 1 288.382 2.218 20 0 CEADMP FC1(F)C[C@H]1OCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659955872 415806635 /nfs/dbraw/zinc/80/66/35/415806635.db2.gz FIBLNUOZYDSPTM-UONOGXRCSA-N 2 1 288.382 2.218 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000659974857 415819607 /nfs/dbraw/zinc/81/96/07/415819607.db2.gz KJKKRZOOVAQTFF-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000659983386 415824188 /nfs/dbraw/zinc/82/41/88/415824188.db2.gz KUFDNLCBCLZPKI-TWMKSMIVSA-N 2 1 281.488 2.379 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000659983386 415824193 /nfs/dbraw/zinc/82/41/93/415824193.db2.gz KUFDNLCBCLZPKI-TWMKSMIVSA-N 2 1 281.488 2.379 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000659983386 415824197 /nfs/dbraw/zinc/82/41/97/415824197.db2.gz KUFDNLCBCLZPKI-TWMKSMIVSA-N 2 1 281.488 2.379 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000662403150 415825072 /nfs/dbraw/zinc/82/50/72/415825072.db2.gz JLBURUXTOXGJSH-XHSDSOJGSA-N 2 1 297.487 2.234 20 0 CEADMP c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc(C[NH+]2CCCCC2)c1 ZINC000662517885 415871749 /nfs/dbraw/zinc/87/17/49/415871749.db2.gz SJZIHHHZGRLIRF-OALUTQOASA-N 3 1 299.462 2.324 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000662619866 415906541 /nfs/dbraw/zinc/90/65/41/415906541.db2.gz PYCJDKWKKZCQEW-HUUCEWRRSA-N 2 1 295.471 2.273 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]2CCN(C)C[C@H]21)C1CCCC1 ZINC000660223032 415929743 /nfs/dbraw/zinc/92/97/43/415929743.db2.gz BGZCGYLXEKEIFE-NUEKZKHPSA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000662621996 415907831 /nfs/dbraw/zinc/90/78/31/415907831.db2.gz OAYFFWSVTPDEKX-KKUMJFAQSA-N 2 1 295.471 2.273 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000662622102 415908270 /nfs/dbraw/zinc/90/82/70/415908270.db2.gz OMURRCHOQNPGJT-IUODEOHRSA-N 2 1 289.423 2.309 20 0 CEADMP C[C@@H](CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)C1CC[NH2+]CC1 ZINC000662623628 415908285 /nfs/dbraw/zinc/90/82/85/415908285.db2.gz ZLQFSRNRSRMRKA-DZGCQCFKSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C2(CCC2)C1 ZINC000660167795 415913603 /nfs/dbraw/zinc/91/36/03/415913603.db2.gz OHCMXNIGLGKSFN-HUUCEWRRSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000660167795 415913605 /nfs/dbraw/zinc/91/36/05/415913605.db2.gz OHCMXNIGLGKSFN-HUUCEWRRSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000660167795 415913608 /nfs/dbraw/zinc/91/36/08/415913608.db2.gz OHCMXNIGLGKSFN-HUUCEWRRSA-N 2 1 268.445 2.200 20 0 CEADMP COc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1F ZINC000656788302 415862730 /nfs/dbraw/zinc/86/27/30/415862730.db2.gz IKDIVVQNHUUNHO-UHFFFAOYSA-N 2 1 252.333 2.195 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)CCCC1 ZINC000656789754 415863364 /nfs/dbraw/zinc/86/33/64/415863364.db2.gz XERXYHGRFCCYCH-UHFFFAOYSA-N 2 1 288.370 2.373 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)CC[NH2+]C1 ZINC000656791870 415863457 /nfs/dbraw/zinc/86/34/57/415863457.db2.gz LNKFOHLFJHTAQT-XHSDSOJGSA-N 2 1 266.429 2.267 20 0 CEADMP c1cn([C@H]2CCC[N@H+](CCc3cncs3)C2)cn1 ZINC000662751141 415951192 /nfs/dbraw/zinc/95/11/92/415951192.db2.gz FDBMKEKVEYXVIQ-LBPRGKRZSA-N 2 1 262.382 2.219 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@H]([NH+](C)C)C2)c1C ZINC000078599456 177358359 /nfs/dbraw/zinc/35/83/59/177358359.db2.gz ZTRRHRHOJABFGL-AWEZNQCLSA-N 2 1 277.412 2.233 20 0 CEADMP CCCCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000078775184 177385723 /nfs/dbraw/zinc/38/57/23/177385723.db2.gz ZHZHLDHYZIDDDW-MRXNPFEDSA-N 2 1 267.461 2.279 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000360234346 287345233 /nfs/dbraw/zinc/34/52/33/287345233.db2.gz MYHIRZVMZCJNIZ-OAGGEKHMSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000360234346 287345234 /nfs/dbraw/zinc/34/52/34/287345234.db2.gz MYHIRZVMZCJNIZ-OAGGEKHMSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000360234346 287345235 /nfs/dbraw/zinc/34/52/35/287345235.db2.gz MYHIRZVMZCJNIZ-OAGGEKHMSA-N 2 1 281.488 2.427 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCCOC(C)(C)C)C1 ZINC000354910284 227225000 /nfs/dbraw/zinc/22/50/00/227225000.db2.gz FZPPOLDLNCWITJ-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@H]1CCc3ccccc3NC1=O)C2 ZINC000319556811 419483548 /nfs/dbraw/zinc/48/35/48/419483548.db2.gz FZVQMRDGOIAIQH-ZVZYQTTQSA-N 2 1 299.418 2.001 20 0 CEADMP C([NH2+]C1CCC2(CCOCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000666770427 419423852 /nfs/dbraw/zinc/42/38/52/419423852.db2.gz ZRAGKHLNSGWYTN-HNNXBMFYSA-N 2 1 266.429 2.458 20 0 CEADMP c1ccc(N2CCC([NH2+]C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000666769896 419425872 /nfs/dbraw/zinc/42/58/72/419425872.db2.gz GPHMBEIESVVALJ-MRXNPFEDSA-N 2 1 273.424 2.387 20 0 CEADMP CC(C)C[C@@H](CN)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000666798842 419433392 /nfs/dbraw/zinc/43/33/92/419433392.db2.gz GHXLLKRNTYOOQO-INIZCTEOSA-N 2 1 293.455 2.090 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000666798842 419433399 /nfs/dbraw/zinc/43/33/99/419433399.db2.gz GHXLLKRNTYOOQO-INIZCTEOSA-N 3 1 293.455 2.090 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000666172081 419564713 /nfs/dbraw/zinc/56/47/13/419564713.db2.gz AAZNHNOAVUORGF-YPMHNXCESA-N 2 1 250.390 2.101 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000666981179 419501227 /nfs/dbraw/zinc/50/12/27/419501227.db2.gz YFCGILJUZGQOPX-OAHLLOKOSA-N 2 1 289.423 2.042 20 0 CEADMP Cc1ncc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C ZINC000667618564 419730693 /nfs/dbraw/zinc/73/06/93/419730693.db2.gz APMWKUSGGMHUNG-OAHLLOKOSA-N 2 1 298.434 2.435 20 0 CEADMP C1CC1[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CO1 ZINC000667806614 419813848 /nfs/dbraw/zinc/81/38/48/419813848.db2.gz NSNPKGBQJOMUMY-ZBFHGGJFSA-N 2 1 264.413 2.160 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667853884 419827497 /nfs/dbraw/zinc/82/74/97/419827497.db2.gz RWDUOOZNIAVEMJ-IKGGRYGDSA-N 2 1 279.472 2.038 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CO1 ZINC000402233090 260264715 /nfs/dbraw/zinc/26/47/15/260264715.db2.gz VNBJZYLXPXOFPZ-MAUKXSAKSA-N 2 1 288.435 2.461 20 0 CEADMP C[C@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)NC(=O)OC(C)(C)C ZINC000497252864 262124401 /nfs/dbraw/zinc/12/44/01/262124401.db2.gz LVUBLPBOMQRSKT-CYBMUJFWSA-N 2 1 299.459 2.364 20 0 CEADMP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430551519 263263809 /nfs/dbraw/zinc/26/38/09/263263809.db2.gz IKCMLNZSWFEZLA-SQWLQELKSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430551519 263263811 /nfs/dbraw/zinc/26/38/11/263263811.db2.gz IKCMLNZSWFEZLA-SQWLQELKSA-N 2 1 295.471 2.131 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000430568430 263296406 /nfs/dbraw/zinc/29/64/06/263296406.db2.gz CEPMXRWUUQDUSC-WFASDCNBSA-N 2 1 275.396 2.204 20 0 CEADMP Cc1occc1C[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192725023 270279602 /nfs/dbraw/zinc/27/96/02/270279602.db2.gz MEMLQLDLDSQBHX-UHFFFAOYSA-N 2 1 293.455 2.436 20 0 CEADMP COc1ccc(OCCC[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000420373052 270530593 /nfs/dbraw/zinc/53/05/93/270530593.db2.gz YXWURTGVOHBPCA-HNNXBMFYSA-N 2 1 280.412 2.427 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422794158 270771958 /nfs/dbraw/zinc/77/19/58/270771958.db2.gz YIIYBHQATIDRBN-DLBZAZTESA-N 3 1 273.424 2.252 20 0 CEADMP C[C@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000422868098 270796318 /nfs/dbraw/zinc/79/63/18/270796318.db2.gz UKUIMDXTHXARAG-FPCVCCKLSA-N 2 1 267.461 2.227 20 0 CEADMP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423056911 270824733 /nfs/dbraw/zinc/82/47/33/270824733.db2.gz ZARSKBBTWPDODU-LLVKDONJSA-N 2 1 264.417 2.349 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423106695 270838011 /nfs/dbraw/zinc/83/80/11/270838011.db2.gz OTIOEPMOLYWAJA-NWDGAFQWSA-N 2 1 285.338 2.433 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)[C@@H]1CCC[NH2+]1 ZINC000423114900 270839933 /nfs/dbraw/zinc/83/99/33/270839933.db2.gz MLWYBSPKJDGRBG-WRWGMCAJSA-N 2 1 262.344 2.267 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000423129942 270845592 /nfs/dbraw/zinc/84/55/92/270845592.db2.gz RKRWMTBEZIVCFD-LFNDISMMSA-N 2 1 252.333 2.363 20 0 CEADMP CC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423142645 270848799 /nfs/dbraw/zinc/84/87/99/270848799.db2.gz AXVRCBSJRKSHGP-JHJVBQTASA-N 2 1 276.371 2.169 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423184300 270863809 /nfs/dbraw/zinc/86/38/09/270863809.db2.gz IGEAYLQIGGXZNN-IUODEOHRSA-N 2 1 292.423 2.285 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423208980 270871268 /nfs/dbraw/zinc/87/12/68/270871268.db2.gz FVINMWLORLWHOE-YDZRNGNQSA-N 2 1 299.462 2.381 20 0 CEADMP COCCOc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423280852 270888419 /nfs/dbraw/zinc/88/84/19/270888419.db2.gz SXOZAZLVRYMJAV-BLLLJJGKSA-N 2 1 278.396 2.100 20 0 CEADMP COc1ccc(OC)c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000423356722 270903314 /nfs/dbraw/zinc/90/33/14/270903314.db2.gz HGOZUCOVZSICSN-CHWSQXEVSA-N 2 1 278.396 2.497 20 0 CEADMP CC(C)COCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424282794 271039117 /nfs/dbraw/zinc/03/91/17/271039117.db2.gz ANUUSEXNANOAKG-AWEZNQCLSA-N 2 1 254.418 2.123 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3=CC[N@@H+](C)CC3)C[C@H]2C1 ZINC000424288926 271040471 /nfs/dbraw/zinc/04/04/71/271040471.db2.gz SQXSKMFHUVEIHX-GEEKYZPCSA-N 2 1 264.413 2.042 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000424293476 271041259 /nfs/dbraw/zinc/04/12/59/271041259.db2.gz NWPVHQFLKGHCST-HOCLYGCPSA-N 2 1 266.429 2.123 20 0 CEADMP CC[C@H](C)[C@@H]([NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424342100 271049820 /nfs/dbraw/zinc/04/98/20/271049820.db2.gz XBQDFSRMGBXDKT-VHSXEESVSA-N 2 1 252.362 2.234 20 0 CEADMP CS[C@@H]1CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000425342419 271158405 /nfs/dbraw/zinc/15/84/05/271158405.db2.gz HFCAWZANHBZZRB-ZLMOABSSSA-N 2 1 254.443 2.485 20 0 CEADMP CS[C@@H]1CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000425342419 271158410 /nfs/dbraw/zinc/15/84/10/271158410.db2.gz HFCAWZANHBZZRB-ZLMOABSSSA-N 2 1 254.443 2.485 20 0 CEADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000426333593 271212339 /nfs/dbraw/zinc/21/23/39/271212339.db2.gz UTISWRVCQIESDW-BFHYXJOUSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@]1(C)CCCO1 ZINC000428244125 271249842 /nfs/dbraw/zinc/24/98/42/271249842.db2.gz VDMZJRMVIVFOLE-WFASDCNBSA-N 2 1 252.402 2.160 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)NC(C)(C)C[NH3+])cc1)C1CC1 ZINC000428892273 271298575 /nfs/dbraw/zinc/29/85/75/271298575.db2.gz LQWDHFXWGHADCJ-UHFFFAOYSA-N 2 1 289.423 2.138 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCN(C)c1ccccc1 ZINC000430549619 271388784 /nfs/dbraw/zinc/38/87/84/271388784.db2.gz FBHXMKMCGQBPIZ-MRXNPFEDSA-N 2 1 263.429 2.428 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430599677 271398572 /nfs/dbraw/zinc/39/85/72/271398572.db2.gz GHVNLHHEBYTDIS-RBSFLKMASA-N 2 1 254.418 2.252 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443069747 271850438 /nfs/dbraw/zinc/85/04/38/271850438.db2.gz KKFAOKZXJZYMQO-AWEZNQCLSA-N 2 1 275.396 2.206 20 0 CEADMP CO[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)CC(C)C ZINC000418102540 274061192 /nfs/dbraw/zinc/06/11/92/274061192.db2.gz RUILLDPXZRYEHH-CQSZACIVSA-N 2 1 265.401 2.298 20 0 CEADMP COc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC000164513816 274154668 /nfs/dbraw/zinc/15/46/68/274154668.db2.gz ISEZQDWJIZAYAW-AEGPPILISA-N 2 1 290.407 2.071 20 0 CEADMP COc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC000164513816 274154669 /nfs/dbraw/zinc/15/46/69/274154669.db2.gz ISEZQDWJIZAYAW-AEGPPILISA-N 2 1 290.407 2.071 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000192100283 274236873 /nfs/dbraw/zinc/23/68/73/274236873.db2.gz OPTXGMZJDFKDHP-HUUCEWRRSA-N 2 1 295.471 2.084 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCC(C(=O)OCC)CC1 ZINC000414809353 275981561 /nfs/dbraw/zinc/98/15/61/275981561.db2.gz GJODIJCPFIDXCN-RUXDESIVSA-N 2 1 270.417 2.215 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000336718090 276106328 /nfs/dbraw/zinc/10/63/28/276106328.db2.gz UNONCYZYILIFMX-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1C ZINC000414743224 276225000 /nfs/dbraw/zinc/22/50/00/276225000.db2.gz OMANBLHTPSRAKI-JJXSEGSLSA-N 3 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1C ZINC000414743224 276225001 /nfs/dbraw/zinc/22/50/01/276225001.db2.gz OMANBLHTPSRAKI-JJXSEGSLSA-N 3 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1C ZINC000414743224 276225002 /nfs/dbraw/zinc/22/50/02/276225002.db2.gz OMANBLHTPSRAKI-JJXSEGSLSA-N 3 1 267.461 2.179 20 0 CEADMP CCN1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1C ZINC000414743224 276225003 /nfs/dbraw/zinc/22/50/03/276225003.db2.gz OMANBLHTPSRAKI-JJXSEGSLSA-N 2 1 267.461 2.179 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1C ZINC000414743224 276225004 /nfs/dbraw/zinc/22/50/04/276225004.db2.gz OMANBLHTPSRAKI-JJXSEGSLSA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000414818624 276243025 /nfs/dbraw/zinc/24/30/25/276243025.db2.gz WGOMALIILIBQOT-HUUCEWRRSA-N 2 1 283.460 2.275 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000336723465 276332409 /nfs/dbraw/zinc/33/24/09/276332409.db2.gz ZJQDIUWNVFOPQA-LSDHHAIUSA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000193060298 276334461 /nfs/dbraw/zinc/33/44/61/276334461.db2.gz NHAGRVCYHDXZDJ-HZPDHXFCSA-N 2 1 284.444 2.193 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000193060298 276334463 /nfs/dbraw/zinc/33/44/63/276334463.db2.gz NHAGRVCYHDXZDJ-HZPDHXFCSA-N 2 1 284.444 2.193 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCO[C@H](C)C2)CC1 ZINC000352693475 276358536 /nfs/dbraw/zinc/35/85/36/276358536.db2.gz LRYYSXVZNOVJJO-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCO[C@H](C)C2)CC1 ZINC000352693475 276358537 /nfs/dbraw/zinc/35/85/37/276358537.db2.gz LRYYSXVZNOVJJO-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353532347 276363906 /nfs/dbraw/zinc/36/39/06/276363906.db2.gz WKAKBOWJWCSYFL-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353532347 276363907 /nfs/dbraw/zinc/36/39/07/276363907.db2.gz WKAKBOWJWCSYFL-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353532347 276363910 /nfs/dbraw/zinc/36/39/10/276363910.db2.gz WKAKBOWJWCSYFL-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353532347 276363913 /nfs/dbraw/zinc/36/39/13/276363913.db2.gz WKAKBOWJWCSYFL-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353532347 276363917 /nfs/dbraw/zinc/36/39/17/276363917.db2.gz WKAKBOWJWCSYFL-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@H+]1CC[C@H](CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000250395276 276397883 /nfs/dbraw/zinc/39/78/83/276397883.db2.gz YLTKOVUNFGCOLQ-OAGGEKHMSA-N 2 1 267.461 2.229 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000250395276 276397885 /nfs/dbraw/zinc/39/78/85/276397885.db2.gz YLTKOVUNFGCOLQ-OAGGEKHMSA-N 3 1 267.461 2.229 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000250395276 276397886 /nfs/dbraw/zinc/39/78/86/276397886.db2.gz YLTKOVUNFGCOLQ-OAGGEKHMSA-N 3 1 267.461 2.229 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCO[C@H](C)C2)[C@H](C)C1 ZINC000352608121 276399569 /nfs/dbraw/zinc/39/95/69/276399569.db2.gz FUDOTPMVEKKCSZ-FPCVCCKLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCO[C@H](C)C2)[C@H](C)C1 ZINC000352608121 276399570 /nfs/dbraw/zinc/39/95/70/276399570.db2.gz FUDOTPMVEKKCSZ-FPCVCCKLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCO[C@H](C)C2)[C@H](C)C1 ZINC000352608121 276399571 /nfs/dbraw/zinc/39/95/71/276399571.db2.gz FUDOTPMVEKKCSZ-FPCVCCKLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)C1(C(=O)OC)CCC1 ZINC000353534934 276434640 /nfs/dbraw/zinc/43/46/40/276434640.db2.gz JINWEUNZGMRNIT-CQSZACIVSA-N 2 1 282.428 2.182 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C12CCCC2 ZINC000085679037 276478956 /nfs/dbraw/zinc/47/89/56/276478956.db2.gz MSHWIXAXYDGPKP-LSDHHAIUSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000132065559 277026628 /nfs/dbraw/zinc/02/66/28/277026628.db2.gz VCMCYAHNEXQUKC-HZPDHXFCSA-N 2 1 259.397 2.063 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](C)CC2CCOCC2)C1 ZINC000347067487 277026689 /nfs/dbraw/zinc/02/66/89/277026689.db2.gz MUXVIUUKGYDQAG-ZBFHGGJFSA-N 2 1 268.445 2.371 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000191638232 277031547 /nfs/dbraw/zinc/03/15/47/277031547.db2.gz XQYHNMCSIVSWPR-HNNXBMFYSA-N 2 1 260.381 2.453 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2C[C@@H]2CCC=CO2)CC1 ZINC000377267674 277038272 /nfs/dbraw/zinc/03/82/72/277038272.db2.gz QMHIDMUTKPNPMB-AWEZNQCLSA-N 2 1 250.386 2.239 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)C3CCCCC3)CC[C@@H]21 ZINC000158491641 277069054 /nfs/dbraw/zinc/06/90/54/277069054.db2.gz RKSYIIVEDIZRDE-IKGGRYGDSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)C3CCCCC3)CC[C@@H]21 ZINC000158491641 277069055 /nfs/dbraw/zinc/06/90/55/277069055.db2.gz RKSYIIVEDIZRDE-IKGGRYGDSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)C3CCCCC3)CC[C@@H]21 ZINC000158491641 277069056 /nfs/dbraw/zinc/06/90/56/277069056.db2.gz RKSYIIVEDIZRDE-IKGGRYGDSA-N 2 1 280.456 2.344 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000130521243 277074874 /nfs/dbraw/zinc/07/48/74/277074874.db2.gz IEHCLMNEKHNWBD-UAGQMJEPSA-N 2 1 287.407 2.204 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000120190935 277075802 /nfs/dbraw/zinc/07/58/02/277075802.db2.gz MILNOMSTHVDATP-PBFPGSCMSA-N 2 1 289.423 2.463 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2ccccc2[C@@H]1CO ZINC000271215414 277078994 /nfs/dbraw/zinc/07/89/94/277078994.db2.gz IMVJALCOYQSXDW-RDJZCZTQSA-N 2 1 274.408 2.062 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2ccccc2[C@@H]1CO ZINC000271215414 277078996 /nfs/dbraw/zinc/07/89/96/277078996.db2.gz IMVJALCOYQSXDW-RDJZCZTQSA-N 2 1 274.408 2.062 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000271215414 277078998 /nfs/dbraw/zinc/07/89/98/277078998.db2.gz IMVJALCOYQSXDW-RDJZCZTQSA-N 2 1 274.408 2.062 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000271215414 277078999 /nfs/dbraw/zinc/07/89/99/277078999.db2.gz IMVJALCOYQSXDW-RDJZCZTQSA-N 2 1 274.408 2.062 20 0 CEADMP COC(=O)[C@@]12C[N@@H+](CC[C@H]3CCC[NH+]3C)C[C@H]1CCCC2 ZINC000342184307 277115266 /nfs/dbraw/zinc/11/52/66/277115266.db2.gz ZGTDBDPSFBVONN-INMHGKMJSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@]12C[NH+](CC[C@H]3CCC[N@@H+]3C)C[C@H]1CCCC2 ZINC000342184307 277115267 /nfs/dbraw/zinc/11/52/67/277115267.db2.gz ZGTDBDPSFBVONN-INMHGKMJSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@]12C[NH+](CC[C@H]3CCC[N@H+]3C)C[C@H]1CCCC2 ZINC000342184307 277115268 /nfs/dbraw/zinc/11/52/68/277115268.db2.gz ZGTDBDPSFBVONN-INMHGKMJSA-N 2 1 294.439 2.136 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)[C@H]2CCC[C@@H]21 ZINC000353445814 277171807 /nfs/dbraw/zinc/17/18/07/277171807.db2.gz IRZORUQIYWECHA-YVSFHVDLSA-N 2 1 286.419 2.453 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353670269 277173525 /nfs/dbraw/zinc/17/35/25/277173525.db2.gz KUHAMNHIOGGYHE-MHORFTMASA-N 2 1 288.435 2.052 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc2c(cc1SC)OCCO2 ZINC000414846728 277282555 /nfs/dbraw/zinc/28/25/55/277282555.db2.gz VACNTOYKOUQQIN-NSHDSACASA-N 2 1 296.436 2.125 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000347043482 277286184 /nfs/dbraw/zinc/28/61/84/277286184.db2.gz MWKPPEBBIHPWKV-CQSZACIVSA-N 2 1 278.444 2.296 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000347043482 277286186 /nfs/dbraw/zinc/28/61/86/277286186.db2.gz MWKPPEBBIHPWKV-CQSZACIVSA-N 2 1 278.444 2.296 20 0 CEADMP CO[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000374682385 277337218 /nfs/dbraw/zinc/33/72/18/277337218.db2.gz ZIBXFOXWNPUQST-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000374682385 277337220 /nfs/dbraw/zinc/33/72/20/277337220.db2.gz ZIBXFOXWNPUQST-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000374682385 277337221 /nfs/dbraw/zinc/33/72/21/277337221.db2.gz ZIBXFOXWNPUQST-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000343652932 277346768 /nfs/dbraw/zinc/34/67/68/277346768.db2.gz HFCNWCPSLBMRIR-OFQRWUPVSA-N 2 1 282.428 2.182 20 0 CEADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414705684 277361670 /nfs/dbraw/zinc/36/16/70/277361670.db2.gz LUMHCEFJRCHAOD-CVEARBPZSA-N 2 1 295.471 2.084 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000376738585 277548337 /nfs/dbraw/zinc/54/83/37/277548337.db2.gz FUKZWBRDLRSULL-QLFBSQMISA-N 2 1 277.412 2.240 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCO1)[NH+]1CCCC1 ZINC000311009680 277897852 /nfs/dbraw/zinc/89/78/52/277897852.db2.gz JSFGKHXTUGMNEX-KKUMJFAQSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCC(O)CC2)C1 ZINC000353465670 278003010 /nfs/dbraw/zinc/00/30/10/278003010.db2.gz VAFKPSPINDWOOJ-PJPHBNEVSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@@H+]1C ZINC000245854725 278029510 /nfs/dbraw/zinc/02/95/10/278029510.db2.gz GWECLKRUULOXGW-KJWHEZOQSA-N 2 1 264.413 2.016 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@H+]1C ZINC000245854725 278029511 /nfs/dbraw/zinc/02/95/11/278029511.db2.gz GWECLKRUULOXGW-KJWHEZOQSA-N 2 1 264.413 2.016 20 0 CEADMP CSC1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000310266598 278125243 /nfs/dbraw/zinc/12/52/43/278125243.db2.gz FPVWJCGITRQNBE-LBPRGKRZSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@H](Nc1cc[nH+]c(N(C)C)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000357663894 278232966 /nfs/dbraw/zinc/23/29/66/278232966.db2.gz SKQHNLYAGCSZBJ-BBRMVZONSA-N 2 1 299.422 2.068 20 0 CEADMP C[C@H](c1ccccc1Cl)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000062014462 278312133 /nfs/dbraw/zinc/31/21/33/278312133.db2.gz OCGOFPVPVHBAQL-CYBMUJFWSA-N 2 1 281.831 2.238 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCC1 ZINC000178070071 278343694 /nfs/dbraw/zinc/34/36/94/278343694.db2.gz GJIHYYFXVWBOEQ-UKRRQHHQSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@]1(C)CCCO1 ZINC000340509028 278344541 /nfs/dbraw/zinc/34/45/41/278344541.db2.gz JQYFVJAZLGMSSX-OAGGEKHMSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@]1(C)CCCO1 ZINC000340509028 278344542 /nfs/dbraw/zinc/34/45/42/278344542.db2.gz JQYFVJAZLGMSSX-OAGGEKHMSA-N 2 1 284.444 2.035 20 0 CEADMP CC(C)(C)OC(=O)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365552971 278373903 /nfs/dbraw/zinc/37/39/03/278373903.db2.gz PRIZIIYDNGPRGH-RBSFLKMASA-N 2 1 294.439 2.134 20 0 CEADMP CC(C)(C)OC(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365552971 278373904 /nfs/dbraw/zinc/37/39/04/278373904.db2.gz PRIZIIYDNGPRGH-RBSFLKMASA-N 2 1 294.439 2.134 20 0 CEADMP CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365552971 278373906 /nfs/dbraw/zinc/37/39/06/278373906.db2.gz PRIZIIYDNGPRGH-RBSFLKMASA-N 2 1 294.439 2.134 20 0 CEADMP CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365552971 278373909 /nfs/dbraw/zinc/37/39/09/278373909.db2.gz PRIZIIYDNGPRGH-RBSFLKMASA-N 2 1 294.439 2.134 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCCC[NH+](C)C1CCCCC1 ZINC000343050176 288097442 /nfs/dbraw/zinc/09/74/42/288097442.db2.gz CBNNNYSIJVLERL-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@H]1NCCC[N@H+](C)C1CCCCC1 ZINC000343050176 288097445 /nfs/dbraw/zinc/09/74/45/288097445.db2.gz CBNNNYSIJVLERL-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000343050176 288097448 /nfs/dbraw/zinc/09/74/48/288097448.db2.gz CBNNNYSIJVLERL-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000338361277 279095938 /nfs/dbraw/zinc/09/59/38/279095938.db2.gz QUNFLMCEFVSRSB-ZNMIVQPWSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000348379604 279120947 /nfs/dbraw/zinc/12/09/47/279120947.db2.gz KFFJUQPWZBGRPG-RWMBFGLXSA-N 2 1 296.377 2.400 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC[NH+](C)C1CCCC1 ZINC000071376904 288106434 /nfs/dbraw/zinc/10/64/34/288106434.db2.gz DBESVJLBQBXBIV-IIAWOOMASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCC[N@H+](C)C1CCCC1 ZINC000071376904 288106436 /nfs/dbraw/zinc/10/64/36/288106436.db2.gz DBESVJLBQBXBIV-IIAWOOMASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCC[N@@H+](C)C1CCCC1 ZINC000071376904 288106437 /nfs/dbraw/zinc/10/64/37/288106437.db2.gz DBESVJLBQBXBIV-IIAWOOMASA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[C@]1(CO)CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000248964810 279239005 /nfs/dbraw/zinc/23/90/05/279239005.db2.gz BNOLJTVQWUFQKD-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)C[C@]1(CO)CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000248964810 279239008 /nfs/dbraw/zinc/23/90/08/279239008.db2.gz BNOLJTVQWUFQKD-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)C[C@]1(CO)CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000248964810 279239009 /nfs/dbraw/zinc/23/90/09/279239009.db2.gz BNOLJTVQWUFQKD-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)CC1 ZINC000357641231 279262647 /nfs/dbraw/zinc/26/26/47/279262647.db2.gz HKYWEHRTXGOSCI-MRXNPFEDSA-N 2 1 290.455 2.395 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000300413135 279355271 /nfs/dbraw/zinc/35/52/71/279355271.db2.gz YQJVUOGVHDUNJD-QLFBSQMISA-N 2 1 255.450 2.035 20 0 CEADMP CC(C)[NH+](C)CCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000300413135 279355272 /nfs/dbraw/zinc/35/52/72/279355272.db2.gz YQJVUOGVHDUNJD-QLFBSQMISA-N 2 1 255.450 2.035 20 0 CEADMP CC(C)[NH+](C)CCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000300413135 279355274 /nfs/dbraw/zinc/35/52/74/279355274.db2.gz YQJVUOGVHDUNJD-QLFBSQMISA-N 2 1 255.450 2.035 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000300413135 279355276 /nfs/dbraw/zinc/35/52/76/279355276.db2.gz YQJVUOGVHDUNJD-QLFBSQMISA-N 3 1 255.450 2.035 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000300413135 279355277 /nfs/dbraw/zinc/35/52/77/279355277.db2.gz YQJVUOGVHDUNJD-QLFBSQMISA-N 3 1 255.450 2.035 20 0 CEADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000300413135 279355278 /nfs/dbraw/zinc/35/52/78/279355278.db2.gz YQJVUOGVHDUNJD-QLFBSQMISA-N 3 1 255.450 2.035 20 0 CEADMP CC(C)[NH+](C)CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000300413135 279355279 /nfs/dbraw/zinc/35/52/79/279355279.db2.gz YQJVUOGVHDUNJD-QLFBSQMISA-N 3 1 255.450 2.035 20 0 CEADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCF)CC2)C[C@H](C)O1 ZINC000126480945 288152733 /nfs/dbraw/zinc/15/27/33/288152733.db2.gz FDQCBEXKHFDESH-OKILXGFUSA-N 2 1 272.408 2.167 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000151107593 280088555 /nfs/dbraw/zinc/08/85/55/280088555.db2.gz MJCDEQZWFGCEDG-ARFHVFGLSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000151107593 280088558 /nfs/dbraw/zinc/08/85/58/280088558.db2.gz MJCDEQZWFGCEDG-ARFHVFGLSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000151107593 280088560 /nfs/dbraw/zinc/08/85/60/280088560.db2.gz MJCDEQZWFGCEDG-ARFHVFGLSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000151107593 280088564 /nfs/dbraw/zinc/08/85/64/280088564.db2.gz MJCDEQZWFGCEDG-ARFHVFGLSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000151107593 280088566 /nfs/dbraw/zinc/08/85/66/280088566.db2.gz MJCDEQZWFGCEDG-ARFHVFGLSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000151107593 280088568 /nfs/dbraw/zinc/08/85/68/280088568.db2.gz MJCDEQZWFGCEDG-ARFHVFGLSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000151107593 280088570 /nfs/dbraw/zinc/08/85/70/280088570.db2.gz MJCDEQZWFGCEDG-ARFHVFGLSA-N 3 1 267.461 2.038 20 0 CEADMP CC[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367675495 280094392 /nfs/dbraw/zinc/09/43/92/280094392.db2.gz ZQQTTYBBKWQENJ-GDBMZVCRSA-N 2 1 267.461 2.133 20 0 CEADMP C[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCS1 ZINC000250779040 280159744 /nfs/dbraw/zinc/15/97/44/280159744.db2.gz BOPYRIMCXMKTKZ-MELADBBJSA-N 2 1 254.443 2.489 20 0 CEADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C[Si](C)(C)C ZINC000363705569 288206251 /nfs/dbraw/zinc/20/62/51/288206251.db2.gz JSJAQWSRHXNAFZ-RBSFLKMASA-N 2 1 284.520 2.343 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C[Si](C)(C)C ZINC000363705569 288206253 /nfs/dbraw/zinc/20/62/53/288206253.db2.gz JSJAQWSRHXNAFZ-RBSFLKMASA-N 2 1 284.520 2.343 20 0 CEADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1(C(=O)OC)CCC1 ZINC000414200636 280187919 /nfs/dbraw/zinc/18/79/19/280187919.db2.gz XNCFTOJGAJNUKI-HUUCEWRRSA-N 2 1 296.455 2.430 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000360233636 280188433 /nfs/dbraw/zinc/18/84/33/280188433.db2.gz IVCYMSJGBOTTGH-HZPDHXFCSA-N 2 1 280.387 2.323 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCOCC2)[C@@H](C)C1 ZINC000245432851 280239757 /nfs/dbraw/zinc/23/97/57/280239757.db2.gz OUEIKHHWGVMISB-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCOCC2)[C@@H](C)C1 ZINC000245432851 280239760 /nfs/dbraw/zinc/23/97/60/280239760.db2.gz OUEIKHHWGVMISB-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCOCC2)[C@@H](C)C1 ZINC000245432851 280239762 /nfs/dbraw/zinc/23/97/62/280239762.db2.gz OUEIKHHWGVMISB-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)[C@H](CN[C@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCCCCC1 ZINC000343268878 280255845 /nfs/dbraw/zinc/25/58/45/280255845.db2.gz HBJQTRGEXNQMAK-IKGGRYGDSA-N 2 1 281.488 2.427 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCOC)[C@@H](C)C1 ZINC000246881034 280313075 /nfs/dbraw/zinc/31/30/75/280313075.db2.gz DAEAZBNFFHBGLH-JYJNAYRXSA-N 2 1 286.460 2.138 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)CCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247001351 280317450 /nfs/dbraw/zinc/31/74/50/280317450.db2.gz WXKNLLLXWGBCRO-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247001351 280317451 /nfs/dbraw/zinc/31/74/51/280317451.db2.gz WXKNLLLXWGBCRO-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247001351 280317453 /nfs/dbraw/zinc/31/74/53/280317453.db2.gz WXKNLLLXWGBCRO-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247001351 280317454 /nfs/dbraw/zinc/31/74/54/280317454.db2.gz WXKNLLLXWGBCRO-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247049845 280318990 /nfs/dbraw/zinc/31/89/90/280318990.db2.gz NFBGVWBILGMEQR-QKPAOTATSA-N 2 1 267.461 2.037 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247049845 280318994 /nfs/dbraw/zinc/31/89/94/280318994.db2.gz NFBGVWBILGMEQR-QKPAOTATSA-N 2 1 267.461 2.037 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247049845 280318997 /nfs/dbraw/zinc/31/89/97/280318997.db2.gz NFBGVWBILGMEQR-QKPAOTATSA-N 2 1 267.461 2.037 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247049845 280319000 /nfs/dbraw/zinc/31/90/00/280319000.db2.gz NFBGVWBILGMEQR-QKPAOTATSA-N 3 1 267.461 2.037 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247049845 280319003 /nfs/dbraw/zinc/31/90/03/280319003.db2.gz NFBGVWBILGMEQR-QKPAOTATSA-N 3 1 267.461 2.037 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247049845 280319005 /nfs/dbraw/zinc/31/90/05/280319005.db2.gz NFBGVWBILGMEQR-QKPAOTATSA-N 3 1 267.461 2.037 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247049845 280319009 /nfs/dbraw/zinc/31/90/09/280319009.db2.gz NFBGVWBILGMEQR-QKPAOTATSA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000247085508 280320273 /nfs/dbraw/zinc/32/02/73/280320273.db2.gz RFHAMXGHYVFBSC-RRCSTGOVSA-N 2 1 268.445 2.246 20 0 CEADMP CC[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000247129295 280321088 /nfs/dbraw/zinc/32/10/88/280321088.db2.gz RPOVZHMSCGOYDK-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN2CCCCCC2=O)[C@@H](C)C1 ZINC000247968239 280341199 /nfs/dbraw/zinc/34/11/99/280341199.db2.gz IQKDGGBHADVMRA-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[C@@H](NCCC[N@@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000247978784 280341589 /nfs/dbraw/zinc/34/15/89/280341589.db2.gz LUXLAPRAZLSFKN-XHSDSOJGSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1C[C@@H](NCCC[NH+]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000247978784 280341590 /nfs/dbraw/zinc/34/15/90/280341590.db2.gz LUXLAPRAZLSFKN-XHSDSOJGSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1C[C@@H](NCCC[NH+]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000247978784 280341591 /nfs/dbraw/zinc/34/15/91/280341591.db2.gz LUXLAPRAZLSFKN-XHSDSOJGSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000248140164 280342795 /nfs/dbraw/zinc/34/27/95/280342795.db2.gz PNLVHJUASYOIHS-MCIONIFRSA-N 2 1 297.443 2.068 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000248140164 280342796 /nfs/dbraw/zinc/34/27/96/280342796.db2.gz PNLVHJUASYOIHS-MCIONIFRSA-N 2 1 297.443 2.068 20 0 CEADMP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422635146 280925415 /nfs/dbraw/zinc/92/54/15/280925415.db2.gz LAHBMLZXTGLEMG-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422635147 280925493 /nfs/dbraw/zinc/92/54/93/280925493.db2.gz LAHBMLZXTGLEMG-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000423029894 281001135 /nfs/dbraw/zinc/00/11/35/281001135.db2.gz IXVQGLHMUALNIO-RDGPPVDQSA-N 2 1 299.462 2.239 20 0 CEADMP CC1(C)[C@H]([NH2+][C@H]2CC[NH2+]C2)C[C@H]1OCc1ccccc1 ZINC000423050664 281010408 /nfs/dbraw/zinc/01/04/08/281010408.db2.gz LQYTXCYDQYZDHT-ARFHVFGLSA-N 2 1 274.408 2.322 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423051739 281011580 /nfs/dbraw/zinc/01/15/80/281011580.db2.gz OYSPJPHMGOVSHE-ZOBORPQBSA-N 2 1 254.418 2.309 20 0 CEADMP CC(C)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423061070 281015620 /nfs/dbraw/zinc/01/56/20/281015620.db2.gz PYBMSKUEEQRUCY-ZNMIVQPWSA-N 2 1 268.445 2.415 20 0 CEADMP COCCC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(F)cc1 ZINC000423383879 281027600 /nfs/dbraw/zinc/02/76/00/281027600.db2.gz FNVKRZVCPMGAJX-SMDDNHRTSA-N 2 1 254.349 2.230 20 0 CEADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)C[NH3+])CC3 ZINC000334873927 281036010 /nfs/dbraw/zinc/03/60/10/281036010.db2.gz LATQYOIQOKFFBA-VXGBXAGGSA-N 2 1 257.381 2.270 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000423496454 281056229 /nfs/dbraw/zinc/05/62/29/281056229.db2.gz DWVWXYVFORNIQO-IAOVAPTHSA-N 2 1 275.440 2.179 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c(C)s1 ZINC000423512775 281057896 /nfs/dbraw/zinc/05/78/96/281057896.db2.gz KZQPJACFMUYHPL-WCQYABFASA-N 2 1 268.426 2.394 20 0 CEADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000423529267 281062899 /nfs/dbraw/zinc/06/28/99/281062899.db2.gz XPWAOSAVXLVSAA-ROUUACIJSA-N 2 1 287.451 2.411 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]([NH3+])c1ccccc1C ZINC000423770800 281088784 /nfs/dbraw/zinc/08/87/84/281088784.db2.gz IJTHFRMLPLOWMA-GOEBONIOSA-N 2 1 291.439 2.231 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000423805125 281098896 /nfs/dbraw/zinc/09/88/96/281098896.db2.gz SGDRHJYWUYLHDF-JKSUJKDBSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1ccc2[nH+]ccc(N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)c2c1 ZINC000248676243 281169615 /nfs/dbraw/zinc/16/96/15/281169615.db2.gz YTZJSYYNDFHABS-GJZGRUSLSA-N 2 1 299.418 2.435 20 0 CEADMP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCOCC1 ZINC000428875491 281204977 /nfs/dbraw/zinc/20/49/77/281204977.db2.gz URBCBMYZTMUXNA-INIZCTEOSA-N 2 1 298.471 2.140 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC(C)(C)C[NH3+])cc1 ZINC000428926799 281207791 /nfs/dbraw/zinc/20/77/91/281207791.db2.gz ULYIOMFSJCZEMZ-UHFFFAOYSA-N 2 1 291.439 2.386 20 0 CEADMP Cc1noc(C)c1CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429531708 281240521 /nfs/dbraw/zinc/24/05/21/281240521.db2.gz WIRAYISOHCXODJ-AWEZNQCLSA-N 2 1 265.401 2.250 20 0 CEADMP Cc1noc(C)c1CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429531708 281240522 /nfs/dbraw/zinc/24/05/22/281240522.db2.gz WIRAYISOHCXODJ-AWEZNQCLSA-N 2 1 265.401 2.250 20 0 CEADMP Cc1noc(C)c1CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429531711 281240608 /nfs/dbraw/zinc/24/06/08/281240608.db2.gz WIRAYISOHCXODJ-CQSZACIVSA-N 2 1 265.401 2.250 20 0 CEADMP Cc1noc(C)c1CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429531711 281240609 /nfs/dbraw/zinc/24/06/09/281240609.db2.gz WIRAYISOHCXODJ-CQSZACIVSA-N 2 1 265.401 2.250 20 0 CEADMP Cc1ccc(CCC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cn1 ZINC000430145384 281267194 /nfs/dbraw/zinc/26/71/94/281267194.db2.gz GETDGFFGMIOYTG-QGZVFWFLSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC000430145384 281267199 /nfs/dbraw/zinc/26/71/99/281267199.db2.gz GETDGFFGMIOYTG-QGZVFWFLSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC000430145384 281267204 /nfs/dbraw/zinc/26/72/04/281267204.db2.gz GETDGFFGMIOYTG-QGZVFWFLSA-N 2 1 273.424 2.350 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000435375528 281385748 /nfs/dbraw/zinc/38/57/48/281385748.db2.gz MZAQRABNZRLQEE-GFCCVEGCSA-N 2 1 274.364 2.483 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000435375528 281385752 /nfs/dbraw/zinc/38/57/52/281385752.db2.gz MZAQRABNZRLQEE-GFCCVEGCSA-N 2 1 274.364 2.483 20 0 CEADMP CC[N@H+](Cc1cnc(C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435383593 281386950 /nfs/dbraw/zinc/38/69/50/281386950.db2.gz JCXWIYUULQNLMO-GFCCVEGCSA-N 2 1 253.415 2.416 20 0 CEADMP CC[N@@H+](Cc1cnc(C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435383593 281386954 /nfs/dbraw/zinc/38/69/54/281386954.db2.gz JCXWIYUULQNLMO-GFCCVEGCSA-N 2 1 253.415 2.416 20 0 CEADMP CC[N@H+](CCC[NH2+]C)Cc1ccc(OC)c(OC)c1 ZINC000435869181 281399493 /nfs/dbraw/zinc/39/94/93/281399493.db2.gz INLKTZCLLLOYRD-UHFFFAOYSA-N 2 1 266.385 2.135 20 0 CEADMP CC[N@@H+](CCC[NH2+]C)Cc1ccc(OC)c(OC)c1 ZINC000435869181 281399495 /nfs/dbraw/zinc/39/94/95/281399495.db2.gz INLKTZCLLLOYRD-UHFFFAOYSA-N 2 1 266.385 2.135 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000347511842 282014611 /nfs/dbraw/zinc/01/46/11/282014611.db2.gz CKDIHCWCWCKCDH-MCIONIFRSA-N 2 1 283.460 2.094 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000347526238 282024252 /nfs/dbraw/zinc/02/42/52/282024252.db2.gz NVHHRYIMOGVNBG-UONOGXRCSA-N 2 1 283.460 2.144 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+](C(C)C)C(C)C)[C@H](C)C1 ZINC000156240595 289192413 /nfs/dbraw/zinc/19/24/13/289192413.db2.gz LZUUUHDUUWLYAI-CVEARBPZSA-N 2 1 269.477 2.425 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCN(C)CC(F)(F)F)[C@H](C)C1 ZINC000156370090 289194812 /nfs/dbraw/zinc/19/48/12/289194812.db2.gz JHMHKFGPJRKUKO-OLZOCXBDSA-N 2 1 295.393 2.191 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccn(C)c2)[C@H](C)C1 ZINC000158498644 289234985 /nfs/dbraw/zinc/23/49/85/289234985.db2.gz MCLXDJUKEDZLFM-WBVHZDCISA-N 2 1 293.455 2.252 20 0 CEADMP C[C@H](C(=O)NCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCCCCC1 ZINC000118772794 289353503 /nfs/dbraw/zinc/35/35/03/289353503.db2.gz CTRSJLNVNYWHBI-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](C)[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])c1cccs1 ZINC000250367995 289365912 /nfs/dbraw/zinc/36/59/12/289365912.db2.gz ZLMGBTZAIXPGEQ-MELADBBJSA-N 2 1 281.469 2.458 20 0 CEADMP C[NH+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000357199151 289369344 /nfs/dbraw/zinc/36/93/44/289369344.db2.gz PHKDRSFLBJHFEV-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000249635273 290083431 /nfs/dbraw/zinc/08/34/31/290083431.db2.gz WIQWQMLIPNXLHV-CABCVRRESA-N 2 1 268.445 2.344 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC1CC[NH+](C2CC2)CC1 ZINC000459377721 290130889 /nfs/dbraw/zinc/13/08/89/290130889.db2.gz QBBBQANYFZTYDJ-CQSZACIVSA-N 2 1 265.445 2.077 20 0 CEADMP COc1ccc(OCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459382343 290132701 /nfs/dbraw/zinc/13/27/01/290132701.db2.gz SVYWPAGBUBFZDS-UHFFFAOYSA-N 2 1 290.407 2.290 20 0 CEADMP CC(C)OC1CC([N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000459428402 290146254 /nfs/dbraw/zinc/14/62/54/290146254.db2.gz PLUKDTSMYBNIJM-WLYUNCDWSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@H](O)[C@](C)(C[NH2+]C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000188900665 290169980 /nfs/dbraw/zinc/16/99/80/290169980.db2.gz ATRYWYDGRCFFLY-YJBOKZPZSA-N 2 1 290.451 2.300 20 0 CEADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC(CCO)C1 ZINC000459596260 290190234 /nfs/dbraw/zinc/19/02/34/290190234.db2.gz STSSMAFCMDRVQZ-UHFFFAOYSA-N 2 1 290.451 2.459 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC(CCO)C1 ZINC000459596260 290190238 /nfs/dbraw/zinc/19/02/38/290190238.db2.gz STSSMAFCMDRVQZ-UHFFFAOYSA-N 2 1 290.451 2.459 20 0 CEADMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC2CC2)[C@@H]1c1cccs1 ZINC000361943295 290193779 /nfs/dbraw/zinc/19/37/79/290193779.db2.gz KRCZTXAVWGWRET-ZWNOBZJWSA-N 2 1 278.425 2.017 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459684144 290210721 /nfs/dbraw/zinc/21/07/21/290210721.db2.gz UAVHCQRJFAQUFG-LSDHHAIUSA-N 2 1 275.396 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459684144 290210723 /nfs/dbraw/zinc/21/07/23/290210723.db2.gz UAVHCQRJFAQUFG-LSDHHAIUSA-N 2 1 275.396 2.083 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000459716004 290216134 /nfs/dbraw/zinc/21/61/34/290216134.db2.gz ZBKLOAGZQJDXRO-BZUAXINKSA-N 2 1 286.419 2.379 20 0 CEADMP c1cn2c(cccc2C[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)n1 ZINC000459717208 290216503 /nfs/dbraw/zinc/21/65/03/290216503.db2.gz MITUOTTXZCTLJI-GJZGRUSLSA-N 2 1 283.375 2.335 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000459732104 290220035 /nfs/dbraw/zinc/22/00/35/290220035.db2.gz MEJBRUDUENSERT-ZDUSSCGKSA-N 2 1 272.396 2.384 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000459741275 290223471 /nfs/dbraw/zinc/22/34/71/290223471.db2.gz VFYFWFLOFJCMGR-ZDUSSCGKSA-N 2 1 294.395 2.278 20 0 CEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC000459776004 290235663 /nfs/dbraw/zinc/23/56/63/290235663.db2.gz JUXVZGVJWDRKTI-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CCC(F)(F)F)CC[NH2+]CC2 ZINC000335280545 290363611 /nfs/dbraw/zinc/36/36/11/290363611.db2.gz VGFNSUINCDGTGL-JTQLQIEISA-N 2 1 250.308 2.403 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000488157365 290380709 /nfs/dbraw/zinc/38/07/09/290380709.db2.gz CLBFTHFQRGPOLH-LBPRGKRZSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000488157365 290380713 /nfs/dbraw/zinc/38/07/13/290380713.db2.gz CLBFTHFQRGPOLH-LBPRGKRZSA-N 2 1 251.374 2.081 20 0 CEADMP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359942357 293093622 /nfs/dbraw/zinc/09/36/22/293093622.db2.gz MZZXXBKECQHDHA-ZNMIVQPWSA-N 2 1 254.418 2.264 20 0 CEADMP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000359942357 293093625 /nfs/dbraw/zinc/09/36/25/293093625.db2.gz MZZXXBKECQHDHA-ZNMIVQPWSA-N 2 1 254.418 2.264 20 0 CEADMP COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000347064730 295205241 /nfs/dbraw/zinc/20/52/41/295205241.db2.gz DCMCHNAWPDAMNK-KBPBESRZSA-N 2 1 262.397 2.469 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000335058897 295313674 /nfs/dbraw/zinc/31/36/74/295313674.db2.gz JWPHQOZBWJNWDB-HIFRSBDPSA-N 3 1 265.445 2.253 20 0 CEADMP COc1ccccc1C[N@H+](CCC[NH3+])C[C@H]1CCCO1 ZINC000414695269 295360430 /nfs/dbraw/zinc/36/04/30/295360430.db2.gz FDDQAXDSOMICCM-OAHLLOKOSA-N 2 1 278.396 2.025 20 0 CEADMP COc1ccccc1C[N@@H+](CCC[NH3+])C[C@H]1CCCO1 ZINC000414695269 295360431 /nfs/dbraw/zinc/36/04/31/295360431.db2.gz FDDQAXDSOMICCM-OAHLLOKOSA-N 2 1 278.396 2.025 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCOCC23CCCC3)CC[NH2+]1 ZINC000335649027 297252869 /nfs/dbraw/zinc/25/28/69/297252869.db2.gz BFJFMGBNAZXILH-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H]1CCN(C2CCCCC2)C1=O ZINC000530214963 298051828 /nfs/dbraw/zinc/05/18/28/298051828.db2.gz ZNTGQXJJBNICJK-CVEARBPZSA-N 2 1 295.471 2.225 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H]1CCN(C2CCCCC2)C1=O ZINC000530214963 298051832 /nfs/dbraw/zinc/05/18/32/298051832.db2.gz ZNTGQXJJBNICJK-CVEARBPZSA-N 2 1 295.471 2.225 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1(C)C ZINC000530216503 298052773 /nfs/dbraw/zinc/05/27/73/298052773.db2.gz PUVWRSJULBDLBR-HZSPNIEDSA-N 2 1 266.429 2.453 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2OC)[C@H](C)C1 ZINC000532203713 298135592 /nfs/dbraw/zinc/13/55/92/298135592.db2.gz ATOLKFTXKJIRDW-HUUCEWRRSA-N 2 1 292.423 2.394 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC000532227406 298136598 /nfs/dbraw/zinc/13/65/98/298136598.db2.gz NCFJKXLSPJVOPT-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)[C@@H]1C ZINC000567284880 299049325 /nfs/dbraw/zinc/04/93/25/299049325.db2.gz HAHPCLGGWLMHLY-APIJFGDWSA-N 2 1 284.444 2.283 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)[C@@H]1C ZINC000567284880 299049328 /nfs/dbraw/zinc/04/93/28/299049328.db2.gz HAHPCLGGWLMHLY-APIJFGDWSA-N 2 1 284.444 2.283 20 0 CEADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH2+]CC1)CCCO2 ZINC000335022071 303133255 /nfs/dbraw/zinc/13/32/55/303133255.db2.gz CZUCKJWQYISXMI-AWEZNQCLSA-N 2 1 264.344 2.381 20 0 CEADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000519827579 313120689 /nfs/dbraw/zinc/12/06/89/313120689.db2.gz ZEPIXLRUUHWFSJ-SJLPKXTDSA-N 2 1 290.451 2.443 20 0 CEADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000519827579 313120693 /nfs/dbraw/zinc/12/06/93/313120693.db2.gz ZEPIXLRUUHWFSJ-SJLPKXTDSA-N 2 1 290.451 2.443 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000521949516 313136335 /nfs/dbraw/zinc/13/63/35/313136335.db2.gz BTGCYTVYUKZYOT-GDBMZVCRSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@@H]([NH2+]CC2CC[NH+](CC)CC2)[C@H](C)C1 ZINC000521949516 313136339 /nfs/dbraw/zinc/13/63/39/313136339.db2.gz BTGCYTVYUKZYOT-GDBMZVCRSA-N 2 1 267.461 2.038 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccn1 ZINC000527536439 313181516 /nfs/dbraw/zinc/18/15/16/313181516.db2.gz YJPDWOKSUYYNHP-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccn1 ZINC000527536439 313181519 /nfs/dbraw/zinc/18/15/19/313181519.db2.gz YJPDWOKSUYYNHP-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H]1CC12CC2 ZINC000527858867 313211083 /nfs/dbraw/zinc/21/10/83/313211083.db2.gz MKHBCCPYZQOOGT-HOCLYGCPSA-N 2 1 279.472 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527960504 313220905 /nfs/dbraw/zinc/22/09/05/313220905.db2.gz CVPPQOQTVDNGEM-DVOMOZLQSA-N 2 1 286.423 2.392 20 0 CEADMP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1CCOCC[NH3+] ZINC000530230897 313286796 /nfs/dbraw/zinc/28/67/96/313286796.db2.gz DGWJZDOVQHKMMV-OAHLLOKOSA-N 2 1 280.387 2.369 20 0 CEADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)CC(=O)NC)N1CCCC1 ZINC000531946573 313334328 /nfs/dbraw/zinc/33/43/28/313334328.db2.gz NCPRZWPPYHZFLK-DZGCQCFKSA-N 2 1 283.460 2.001 20 0 CEADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1OC ZINC000532475034 313349505 /nfs/dbraw/zinc/34/95/05/313349505.db2.gz SZALGHLKCZNJAA-DZGCQCFKSA-N 2 1 292.423 2.319 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2=CCCOC2)CC1 ZINC000535082795 313387662 /nfs/dbraw/zinc/38/76/62/313387662.db2.gz APBHWPKYXPMZIR-UHFFFAOYSA-N 2 1 266.429 2.385 20 0 CEADMP C[C@H](C[NH2+]Cc1cnc(-c2ccccc2)nc1)C[NH+](C)C ZINC000563929293 313754641 /nfs/dbraw/zinc/75/46/41/313754641.db2.gz PABDWHAWOMZUKQ-CQSZACIVSA-N 2 1 284.407 2.431 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000564822786 313777456 /nfs/dbraw/zinc/77/74/56/313777456.db2.gz YJASYXMNUSLFNC-LBPRGKRZSA-N 2 1 296.411 2.363 20 0 CEADMP c1ccc(-c2ncc(C[NH2+]CCC[NH2+]C3CC3)cn2)cc1 ZINC000573426121 314156781 /nfs/dbraw/zinc/15/67/81/314156781.db2.gz HQNBBFIPUKEYRA-UHFFFAOYSA-N 2 1 282.391 2.375 20 0 CEADMP Cc1[nH+]cc(CNC2CC[NH+](C3CCCC3)CC2)n1C ZINC000573459524 314159105 /nfs/dbraw/zinc/15/91/05/314159105.db2.gz IFIIYQGKXGMARI-UHFFFAOYSA-N 2 1 276.428 2.225 20 0 CEADMP Cc1cc(C)cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c1 ZINC000576003490 314232854 /nfs/dbraw/zinc/23/28/54/314232854.db2.gz ZQUPGHFMMWVMNE-UHFFFAOYSA-N 2 1 276.424 2.240 20 0 CEADMP COC(=O)CCC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000576118329 314243943 /nfs/dbraw/zinc/24/39/43/314243943.db2.gz GIDFSXVTHQUCNM-UHFFFAOYSA-N 2 1 293.411 2.018 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ncccc2F)c2ccccc21 ZINC000576576161 314289665 /nfs/dbraw/zinc/28/96/65/314289665.db2.gz MUUSWDBXTXIVQN-HUUCEWRRSA-N 2 1 287.338 2.334 20 0 CEADMP CCCN(CC[NH+](CC)CC)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000576715345 314304705 /nfs/dbraw/zinc/30/47/05/314304705.db2.gz KQZJVMLNCAUDFS-CQSZACIVSA-N 2 1 294.443 2.169 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000577151732 314345977 /nfs/dbraw/zinc/34/59/77/314345977.db2.gz OCVPYDNHWXKFQC-ZJIFWQFVSA-N 2 1 269.477 2.425 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000577151732 314345971 /nfs/dbraw/zinc/34/59/71/314345971.db2.gz OCVPYDNHWXKFQC-ZJIFWQFVSA-N 2 1 269.477 2.425 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000577151732 314345975 /nfs/dbraw/zinc/34/59/75/314345975.db2.gz OCVPYDNHWXKFQC-ZJIFWQFVSA-N 2 1 269.477 2.425 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000577363292 314368214 /nfs/dbraw/zinc/36/82/14/314368214.db2.gz SVBPFIBPZDRZKS-RHSMWYFYSA-N 2 1 299.422 2.183 20 0 CEADMP CO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000578357827 314472806 /nfs/dbraw/zinc/47/28/06/314472806.db2.gz KKDDRLVEIIZUJN-XLNGHYISSA-N 2 1 296.455 2.033 20 0 CEADMP COc1cc2c(cc1C[NH2+]C[C@@H](C)C[NH+](C)C)O[C@@H](C)C2 ZINC000386744478 321873507 /nfs/dbraw/zinc/87/35/07/321873507.db2.gz YHIKQYRSFZXKQO-OLZOCXBDSA-N 2 1 292.423 2.306 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000580910248 322353968 /nfs/dbraw/zinc/35/39/68/322353968.db2.gz IQJSWOQBWOMAEV-QXSJWSMHSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000580910248 322353971 /nfs/dbraw/zinc/35/39/71/322353971.db2.gz IQJSWOQBWOMAEV-QXSJWSMHSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000580910248 322353972 /nfs/dbraw/zinc/35/39/72/322353972.db2.gz IQJSWOQBWOMAEV-QXSJWSMHSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000580910252 322354355 /nfs/dbraw/zinc/35/43/55/322354355.db2.gz IQJSWOQBWOMAEV-WCVJEAGWSA-N 2 1 295.471 2.238 20 0 CEADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000580962017 322358793 /nfs/dbraw/zinc/35/87/93/322358793.db2.gz KJWZVQNIQGNTGL-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN(C)Cc1ccccc1SC ZINC000581080169 322367864 /nfs/dbraw/zinc/36/78/64/322367864.db2.gz NOCHJGAFAVBDCA-AWEZNQCLSA-N 2 1 282.453 2.153 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000151142568 519863935 /nfs/dbraw/zinc/86/39/35/519863935.db2.gz MADBHIRPBLSINN-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP CCOc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)ccc1O ZINC000049551776 520726442 /nfs/dbraw/zinc/72/64/42/520726442.db2.gz YQCKFMCJSSFBQS-LBPRGKRZSA-N 2 1 266.385 2.221 20 0 CEADMP Cc1occc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000414392695 534572111 /nfs/dbraw/zinc/57/21/11/534572111.db2.gz CHOCWLKUCLTCKG-HRCADAONSA-N 2 1 278.396 2.272 20 0 CEADMP Cc1occc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000414392695 534572115 /nfs/dbraw/zinc/57/21/15/534572115.db2.gz CHOCWLKUCLTCKG-HRCADAONSA-N 2 1 278.396 2.272 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000366074299 521717880 /nfs/dbraw/zinc/71/78/80/521717880.db2.gz RFVIGROZBCKSEN-PMPSAXMXSA-N 2 1 290.455 2.378 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000163326413 521998297 /nfs/dbraw/zinc/99/82/97/521998297.db2.gz HBZDECSBSVMJEL-UHFFFAOYSA-N 2 1 275.165 2.287 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000363443867 522937968 /nfs/dbraw/zinc/93/79/68/522937968.db2.gz ZWJVGJQBFFGXID-LXTVHRRPSA-N 2 1 266.429 2.216 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000363443867 522937977 /nfs/dbraw/zinc/93/79/77/522937977.db2.gz ZWJVGJQBFFGXID-LXTVHRRPSA-N 2 1 266.429 2.216 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000363443867 522937986 /nfs/dbraw/zinc/93/79/86/522937986.db2.gz ZWJVGJQBFFGXID-LXTVHRRPSA-N 2 1 266.429 2.216 20 0 CEADMP CO[C@@H](C)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000363708387 523409815 /nfs/dbraw/zinc/40/98/15/523409815.db2.gz DKOSQYXRPKEWRG-KBPBESRZSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@H](CC)CN1C(C)=O ZINC000359219175 523432996 /nfs/dbraw/zinc/43/29/96/523432996.db2.gz NJCRXKYANQTUEN-IAGOWNOFSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](CCC1CCCCC1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154289751 524134851 /nfs/dbraw/zinc/13/48/51/524134851.db2.gz RWIZILFSZYVCAD-UKRRQHHQSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000158829531 524269628 /nfs/dbraw/zinc/26/96/28/524269628.db2.gz BGWWZSAYQINKQF-HUUCEWRRSA-N 2 1 276.428 2.268 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000158829531 524269636 /nfs/dbraw/zinc/26/96/36/524269636.db2.gz BGWWZSAYQINKQF-HUUCEWRRSA-N 2 1 276.428 2.268 20 0 CEADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000163828663 524288724 /nfs/dbraw/zinc/28/87/24/524288724.db2.gz PDRBPSUWKRRSKD-STQMWFEESA-N 2 1 293.386 2.071 20 0 CEADMP C[C@H]1CC[N@H+](CCOc2ccccc2F)C[C@@H]1C[NH3+] ZINC000163824256 524291775 /nfs/dbraw/zinc/29/17/75/524291775.db2.gz GAMYYYQQRRXIKM-STQMWFEESA-N 2 1 266.360 2.121 20 0 CEADMP C[C@H]1CC[N@@H+](CCOc2ccccc2F)C[C@@H]1C[NH3+] ZINC000163824256 524291786 /nfs/dbraw/zinc/29/17/86/524291786.db2.gz GAMYYYQQRRXIKM-STQMWFEESA-N 2 1 266.360 2.121 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000049553187 524479130 /nfs/dbraw/zinc/47/91/30/524479130.db2.gz LPSKIXBBDJOKLI-RYUDHWBXSA-N 2 1 264.369 2.406 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=[NH2+])NC(C)(C)C ZINC000052041124 526246105 /nfs/dbraw/zinc/24/61/05/526246105.db2.gz YHHLEPPCBCWZHV-LBPRGKRZSA-N 2 1 254.422 2.163 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)n1 ZINC000050599389 527262653 /nfs/dbraw/zinc/26/26/53/527262653.db2.gz LYDHEIYJOBAZMT-CYBMUJFWSA-N 2 1 286.379 2.253 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@@H](c3ccccc3)C2)n1 ZINC000050599389 527262659 /nfs/dbraw/zinc/26/26/59/527262659.db2.gz LYDHEIYJOBAZMT-CYBMUJFWSA-N 2 1 286.379 2.253 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(CCOC2=O)CC1 ZINC000363458798 527397285 /nfs/dbraw/zinc/39/72/85/527397285.db2.gz BLEPVFJUOCJLRE-UHFFFAOYSA-N 2 1 291.395 2.001 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCN(C)c2ccccc2)[C@H](C)C1 ZINC000125873179 527879634 /nfs/dbraw/zinc/87/96/34/527879634.db2.gz AQTPVVUUHIWRBR-WBVHZDCISA-N 2 1 275.440 2.443 20 0 CEADMP CC(C)CN(CC[NH+](C)C)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000355047562 527939536 /nfs/dbraw/zinc/93/95/36/527939536.db2.gz JUAWSXJNKCKDFZ-MRXNPFEDSA-N 2 1 297.487 2.297 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000355881507 528146629 /nfs/dbraw/zinc/14/66/29/528146629.db2.gz QQBPZMDNISZOBT-GFCCVEGCSA-N 2 1 282.350 2.372 20 0 CEADMP CCOc1c(OC)cc(C[N@H+](C)CCC[NH2+]C)cc1OC ZINC000415126835 528184691 /nfs/dbraw/zinc/18/46/91/528184691.db2.gz HALFJERYBNQBJU-UHFFFAOYSA-N 2 1 296.411 2.144 20 0 CEADMP CCOc1c(OC)cc(C[N@@H+](C)CCC[NH2+]C)cc1OC ZINC000415126835 528184695 /nfs/dbraw/zinc/18/46/95/528184695.db2.gz HALFJERYBNQBJU-UHFFFAOYSA-N 2 1 296.411 2.144 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000418204578 528354618 /nfs/dbraw/zinc/35/46/18/528354618.db2.gz XRZLRKUHUXZUJH-ZNMIVQPWSA-N 2 1 298.475 2.018 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2COC(C)(C)C2)[C@@H](C)C1 ZINC000417922455 528667549 /nfs/dbraw/zinc/66/75/49/528667549.db2.gz TVZMGDRYNAMPGI-JYJNAYRXSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cn1 ZINC000414971024 528843756 /nfs/dbraw/zinc/84/37/56/528843756.db2.gz LBJCYDLKRWSGIN-HNNXBMFYSA-N 2 1 290.455 2.404 20 0 CEADMP Cc1[nH+]cc(CN(CC[NH+](C)C)Cc2ccsc2)n1C ZINC000668236258 538764722 /nfs/dbraw/zinc/76/47/22/538764722.db2.gz FQVVYFWECCZKNQ-UHFFFAOYSA-N 2 1 292.452 2.354 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCc1cccs1 ZINC000749535757 574444345 /nfs/dbraw/zinc/44/43/45/574444345.db2.gz UAGIIHCLAROAJC-KBMXLJTQSA-N 2 1 294.464 2.474 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CCCC[NH+]1CCCC1 ZINC000729365250 574486093 /nfs/dbraw/zinc/48/60/93/574486093.db2.gz KWMDTPQVHNOSBS-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CC[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000729348496 574485731 /nfs/dbraw/zinc/48/57/31/574485731.db2.gz OGUJUDACADVIRN-INIZCTEOSA-N 2 1 295.471 2.101 20 0 CEADMP CC[C@H](C(=O)NCCn1cc[nH+]c1C(C)C)[NH+](CC)CC ZINC000746254579 574505122 /nfs/dbraw/zinc/50/51/22/574505122.db2.gz AECPPJXAIZYNAT-CQSZACIVSA-N 2 1 294.443 2.243 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000762925895 574581162 /nfs/dbraw/zinc/58/11/62/574581162.db2.gz IPOQDLMNWKIZSV-LLVKDONJSA-N 2 1 261.291 2.466 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000762925895 574581163 /nfs/dbraw/zinc/58/11/63/574581163.db2.gz IPOQDLMNWKIZSV-LLVKDONJSA-N 2 1 261.291 2.466 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC1([NH+](C)C)CCCC1 ZINC000732271492 574616767 /nfs/dbraw/zinc/61/67/67/574616767.db2.gz ZFYPWTUDXHAFLL-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)CN1CCCC1 ZINC000734636774 574725206 /nfs/dbraw/zinc/72/52/06/574725206.db2.gz BELWQGVSCOAXKI-NXHRZFHOSA-N 2 1 288.435 2.321 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000734636774 574725213 /nfs/dbraw/zinc/72/52/13/574725213.db2.gz BELWQGVSCOAXKI-NXHRZFHOSA-N 2 1 288.435 2.321 20 0 CEADMP C[N@H+](C[C@H]1CC1(Cl)Cl)C[C@H]1CCC[NH+](C)C1 ZINC000741386962 574984084 /nfs/dbraw/zinc/98/40/84/574984084.db2.gz NUBGPTLWFQAOBL-WDEREUQCSA-N 2 1 265.228 2.454 20 0 CEADMP C[N@@H+](C[C@H]1CC1(Cl)Cl)C[C@H]1CCC[NH+](C)C1 ZINC000741386962 574984085 /nfs/dbraw/zinc/98/40/85/574984085.db2.gz NUBGPTLWFQAOBL-WDEREUQCSA-N 2 1 265.228 2.454 20 0 CEADMP C[NH+](C[C@H]1CC1(Cl)Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000741386962 574984086 /nfs/dbraw/zinc/98/40/86/574984086.db2.gz NUBGPTLWFQAOBL-WDEREUQCSA-N 2 1 265.228 2.454 20 0 CEADMP C[NH+](C[C@H]1CC1(Cl)Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000741386962 574984087 /nfs/dbraw/zinc/98/40/87/574984087.db2.gz NUBGPTLWFQAOBL-WDEREUQCSA-N 2 1 265.228 2.454 20 0 CEADMP Cc1cc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000742423748 575021235 /nfs/dbraw/zinc/02/12/35/575021235.db2.gz ZKATYVMESWXUGN-OAHLLOKOSA-N 2 1 297.406 2.078 20 0 CEADMP CC[N@H+](CCc1cccs1)C[C@@H](O)C[NH+]1CCCC1 ZINC000746657082 575161841 /nfs/dbraw/zinc/16/18/41/575161841.db2.gz DKFXMHDLBWEOSF-CQSZACIVSA-N 2 1 282.453 2.069 20 0 CEADMP CC[N@@H+](CCc1cccs1)C[C@@H](O)C[NH+]1CCCC1 ZINC000746657082 575161843 /nfs/dbraw/zinc/16/18/43/575161843.db2.gz DKFXMHDLBWEOSF-CQSZACIVSA-N 2 1 282.453 2.069 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751054619 575282493 /nfs/dbraw/zinc/28/24/93/575282493.db2.gz OOFSPOWVWBMLOV-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC000753028601 575318005 /nfs/dbraw/zinc/31/80/05/575318005.db2.gz JVFCKOYIAIPXSE-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC000971683686 614281430 /nfs/dbraw/zinc/28/14/30/614281430.db2.gz XYHKJLZMPCZKAA-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971683686 614281431 /nfs/dbraw/zinc/28/14/31/614281431.db2.gz XYHKJLZMPCZKAA-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971683686 614281433 /nfs/dbraw/zinc/28/14/33/614281433.db2.gz XYHKJLZMPCZKAA-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948040307 614303292 /nfs/dbraw/zinc/30/32/92/614303292.db2.gz OOECVBRYRYZWOA-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[NH+](C(C)C)CC1 ZINC000981330267 614332565 /nfs/dbraw/zinc/33/25/65/614332565.db2.gz BNIWTFVGOUULNS-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000981330267 614332566 /nfs/dbraw/zinc/33/25/66/614332566.db2.gz BNIWTFVGOUULNS-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000981330267 614332567 /nfs/dbraw/zinc/33/25/67/614332567.db2.gz BNIWTFVGOUULNS-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948767497 614335732 /nfs/dbraw/zinc/33/57/32/614335732.db2.gz XSTFEQDJKJLBIC-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000948767497 614335735 /nfs/dbraw/zinc/33/57/35/614335735.db2.gz XSTFEQDJKJLBIC-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000948767497 614335738 /nfs/dbraw/zinc/33/57/38/614335738.db2.gz XSTFEQDJKJLBIC-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000957279116 614593118 /nfs/dbraw/zinc/59/31/18/614593118.db2.gz RQGHTFJMVZEFGP-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919665 614629629 /nfs/dbraw/zinc/62/96/29/614629629.db2.gz HYAQRNKOHBOLSK-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919665 614629630 /nfs/dbraw/zinc/62/96/30/614629630.db2.gz HYAQRNKOHBOLSK-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000968919665 614629632 /nfs/dbraw/zinc/62/96/32/614629632.db2.gz HYAQRNKOHBOLSK-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000968919665 614629633 /nfs/dbraw/zinc/62/96/33/614629633.db2.gz HYAQRNKOHBOLSK-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC000971829884 614903767 /nfs/dbraw/zinc/90/37/67/614903767.db2.gz VKEMTUKDIMLWHZ-HNNXBMFYSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000971829884 614903772 /nfs/dbraw/zinc/90/37/72/614903772.db2.gz VKEMTUKDIMLWHZ-HNNXBMFYSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000971829884 614903774 /nfs/dbraw/zinc/90/37/74/614903774.db2.gz VKEMTUKDIMLWHZ-HNNXBMFYSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000970927377 614973654 /nfs/dbraw/zinc/97/36/54/614973654.db2.gz CXNKORJVOQOWMB-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CC)C1 ZINC000972704151 614980961 /nfs/dbraw/zinc/98/09/61/614980961.db2.gz OBTBWLUAQVSRDY-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC000972704151 614980963 /nfs/dbraw/zinc/98/09/63/614980963.db2.gz OBTBWLUAQVSRDY-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC000972704151 614980965 /nfs/dbraw/zinc/98/09/65/614980965.db2.gz OBTBWLUAQVSRDY-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000949045756 614994365 /nfs/dbraw/zinc/99/43/65/614994365.db2.gz FKYFROQIIMXNML-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000949045756 614994369 /nfs/dbraw/zinc/99/43/69/614994369.db2.gz FKYFROQIIMXNML-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC ZINC000969156635 615108895 /nfs/dbraw/zinc/10/88/95/615108895.db2.gz YONCZAHLVFJPIM-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC ZINC000969156635 615108897 /nfs/dbraw/zinc/10/88/97/615108897.db2.gz YONCZAHLVFJPIM-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC ZINC000969156635 615108898 /nfs/dbraw/zinc/10/88/98/615108898.db2.gz YONCZAHLVFJPIM-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CC(C)C)C1 ZINC000980485456 615110854 /nfs/dbraw/zinc/11/08/54/615110854.db2.gz KBGGXGJOSAKXQV-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(C)C)C1 ZINC000980485456 615110856 /nfs/dbraw/zinc/11/08/56/615110856.db2.gz KBGGXGJOSAKXQV-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737037 615218424 /nfs/dbraw/zinc/21/84/24/615218424.db2.gz MDGDDJMCYHNHNM-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940737037 615218427 /nfs/dbraw/zinc/21/84/27/615218427.db2.gz MDGDDJMCYHNHNM-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940737037 615218429 /nfs/dbraw/zinc/21/84/29/615218429.db2.gz MDGDDJMCYHNHNM-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H](C(=O)N1CCC[N@@H+](CC2CCCC2)CC1)[NH+](C)C ZINC000981973755 615369664 /nfs/dbraw/zinc/36/96/64/615369664.db2.gz ORPATLUYXSMAPL-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000935359698 625371428 /nfs/dbraw/zinc/37/14/28/625371428.db2.gz KSCUSDHDGQZYDX-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2(O)CCCCC2)C1 ZINC000177034807 625386709 /nfs/dbraw/zinc/38/67/09/625386709.db2.gz RLUTZEHIDMHVDT-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2(O)CCCCC2)C1 ZINC000177034807 625386713 /nfs/dbraw/zinc/38/67/13/625386713.db2.gz RLUTZEHIDMHVDT-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]C(C)C)C1 ZINC001024278966 625495800 /nfs/dbraw/zinc/49/58/00/625495800.db2.gz WGYOFADJAHXNND-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000892461368 625523523 /nfs/dbraw/zinc/52/35/23/625523523.db2.gz BSNDDPGKLMRMDA-UHFFFAOYSA-N 2 1 299.422 2.184 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000050245234 623372678 /nfs/dbraw/zinc/37/26/78/623372678.db2.gz XCJXUFXEQVJBKC-NSHDSACASA-N 2 1 256.296 2.069 20 0 CEADMP Cc1noc(C[C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000933568414 623845960 /nfs/dbraw/zinc/84/59/60/623845960.db2.gz HFNVZEJQCBJRDO-LSDHHAIUSA-N 2 1 292.427 2.117 20 0 CEADMP Cc1noc(C[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000933568414 623845973 /nfs/dbraw/zinc/84/59/73/623845973.db2.gz HFNVZEJQCBJRDO-LSDHHAIUSA-N 2 1 292.427 2.117 20 0 CEADMP Cc1noc(C[C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000933568414 623845985 /nfs/dbraw/zinc/84/59/85/623845985.db2.gz HFNVZEJQCBJRDO-LSDHHAIUSA-N 2 1 292.427 2.117 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000891699026 623909219 /nfs/dbraw/zinc/90/92/19/623909219.db2.gz LARCLSMXVIYLIV-ZDUSSCGKSA-N 2 1 294.361 2.372 20 0 CEADMP Cc1cc(N)nc(NCCC[N@H+]2CCc3ccccc3C2)[nH+]1 ZINC000891749516 623942091 /nfs/dbraw/zinc/94/20/91/623942091.db2.gz ZKRCAESLLOLRFP-UHFFFAOYSA-N 2 1 297.406 2.228 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](CCc3cccs3)C[C@]2(C)C1 ZINC000933741058 623988976 /nfs/dbraw/zinc/98/89/76/623988976.db2.gz QPCRLWPFJCYELX-OCCSQVGLSA-N 2 1 250.411 2.174 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCc3cccs3)C[C@]2(C)C1 ZINC000933741058 623988981 /nfs/dbraw/zinc/98/89/81/623988981.db2.gz QPCRLWPFJCYELX-OCCSQVGLSA-N 2 1 250.411 2.174 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCc3cccs3)C[C@]2(C)C1 ZINC000933741058 623988986 /nfs/dbraw/zinc/98/89/86/623988986.db2.gz QPCRLWPFJCYELX-OCCSQVGLSA-N 2 1 250.411 2.174 20 0 CEADMP Cc1cc(N)nc(NCCCC[N@@H+]2CCCC[C@H]2C)[nH+]1 ZINC000891845928 624017131 /nfs/dbraw/zinc/01/71/31/624017131.db2.gz FURYPOVARCXHGS-CYBMUJFWSA-N 2 1 277.416 2.434 20 0 CEADMP C[C@@H](Cc1ccccn1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000926289080 624084603 /nfs/dbraw/zinc/08/46/03/624084603.db2.gz YYVXPNAIMGBWCI-JKSUJKDBSA-N 2 1 291.439 2.103 20 0 CEADMP C[C@@H](Cc1ccccn1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000926289080 624084604 /nfs/dbraw/zinc/08/46/04/624084604.db2.gz YYVXPNAIMGBWCI-JKSUJKDBSA-N 2 1 291.439 2.103 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@@]2(C)Br)C1 ZINC000892142023 624349959 /nfs/dbraw/zinc/34/99/59/624349959.db2.gz BVJTULCJCOSACA-YNEHKIRRSA-N 2 1 289.261 2.434 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@]2(C)Br)C1 ZINC000892142023 624349963 /nfs/dbraw/zinc/34/99/63/624349963.db2.gz BVJTULCJCOSACA-YNEHKIRRSA-N 2 1 289.261 2.434 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@]2(C)Br)C1 ZINC000892142023 624349968 /nfs/dbraw/zinc/34/99/68/624349968.db2.gz BVJTULCJCOSACA-YNEHKIRRSA-N 2 1 289.261 2.434 20 0 CEADMP c1csc(C[C@@H]2CC[N@H+](CCCn3ccnc3)C2)n1 ZINC000934331578 624421017 /nfs/dbraw/zinc/42/10/17/624421017.db2.gz DVTQXRWHTVCFTD-ZDUSSCGKSA-N 2 1 276.409 2.294 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nccn1C1CC1 ZINC000892510906 625746563 /nfs/dbraw/zinc/74/65/63/625746563.db2.gz YAQYYKQRORXAOS-GFCCVEGCSA-N 2 1 273.384 2.149 20 0 CEADMP CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024814452 625829211 /nfs/dbraw/zinc/82/92/11/625829211.db2.gz SZQLENQATGVQKU-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001024814452 625829269 /nfs/dbraw/zinc/82/92/69/625829269.db2.gz SZQLENQATGVQKU-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001024814452 625829275 /nfs/dbraw/zinc/82/92/75/625829275.db2.gz SZQLENQATGVQKU-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000926755762 627288058 /nfs/dbraw/zinc/28/80/58/627288058.db2.gz ZPIKOBHLXDHMQT-JYJNAYRXSA-N 2 1 268.445 2.369 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2C2CC2)C1 ZINC000892667933 627375302 /nfs/dbraw/zinc/37/53/02/627375302.db2.gz DRACWHQVWZRYGA-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2C2CC2)C1 ZINC000892667933 627375306 /nfs/dbraw/zinc/37/53/06/627375306.db2.gz DRACWHQVWZRYGA-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CC1CC[NH+](C)CC1 ZINC000892668232 627376093 /nfs/dbraw/zinc/37/60/93/627376093.db2.gz DLSUGEXDAXFKHC-GJZGRUSLSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CC1CC[NH+](C)CC1 ZINC000892668232 627376097 /nfs/dbraw/zinc/37/60/97/627376097.db2.gz DLSUGEXDAXFKHC-GJZGRUSLSA-N 3 1 267.461 2.038 20 0 CEADMP C[N@H+](CCN[C@@H]1CC[NH2+]CC(C)(C)C1)Cc1ccccc1 ZINC000902327580 634590033 /nfs/dbraw/zinc/59/00/33/634590033.db2.gz FEDUVMDJNRCTJJ-QGZVFWFLSA-N 2 1 289.467 2.486 20 0 CEADMP C[N@@H+](CCN[C@@H]1CC[NH2+]CC(C)(C)C1)Cc1ccccc1 ZINC000902327580 634590039 /nfs/dbraw/zinc/59/00/39/634590039.db2.gz FEDUVMDJNRCTJJ-QGZVFWFLSA-N 2 1 289.467 2.486 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166782628 627645681 /nfs/dbraw/zinc/64/56/81/627645681.db2.gz AKQMOGJZCVRDRL-ZJIFWQFVSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166782628 627645685 /nfs/dbraw/zinc/64/56/85/627645685.db2.gz AKQMOGJZCVRDRL-ZJIFWQFVSA-N 3 1 265.445 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166782628 627645688 /nfs/dbraw/zinc/64/56/88/627645688.db2.gz AKQMOGJZCVRDRL-ZJIFWQFVSA-N 3 1 265.445 2.076 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000936026170 627722999 /nfs/dbraw/zinc/72/29/99/627722999.db2.gz FLGQUVZIATULPW-HUUCEWRRSA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000936026170 627723000 /nfs/dbraw/zinc/72/30/00/627723000.db2.gz FLGQUVZIATULPW-HUUCEWRRSA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000936026170 627723003 /nfs/dbraw/zinc/72/30/03/627723003.db2.gz FLGQUVZIATULPW-HUUCEWRRSA-N 2 1 283.460 2.096 20 0 CEADMP COCCCC1(C[NH2+]C2CC[NH+](CCOC)CC2)CCC1 ZINC000892723791 627726554 /nfs/dbraw/zinc/72/65/54/627726554.db2.gz MHLHTGPCTJOPEE-UHFFFAOYSA-N 2 1 298.471 2.284 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000236633277 627736067 /nfs/dbraw/zinc/73/60/67/627736067.db2.gz MNOPIBNHNMSYHW-CQSZACIVSA-N 2 1 283.460 2.084 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000902375680 634605698 /nfs/dbraw/zinc/60/56/98/634605698.db2.gz JSDBOGUPFWIUAL-GDBMZVCRSA-N 2 1 279.472 2.371 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000902375680 634605703 /nfs/dbraw/zinc/60/57/03/634605703.db2.gz JSDBOGUPFWIUAL-GDBMZVCRSA-N 2 1 279.472 2.371 20 0 CEADMP C[N@@H+](CCCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCCCC1 ZINC000328423921 627881879 /nfs/dbraw/zinc/88/18/79/627881879.db2.gz KXDDDNJRIRQBJT-XWJBARJFSA-N 2 1 291.483 2.227 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](C(C)C)C1 ZINC001007749975 627971139 /nfs/dbraw/zinc/97/11/39/627971139.db2.gz VIFPSIAOVLTFDU-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001007749975 627971140 /nfs/dbraw/zinc/97/11/40/627971140.db2.gz VIFPSIAOVLTFDU-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC001007749975 627971141 /nfs/dbraw/zinc/97/11/41/627971141.db2.gz VIFPSIAOVLTFDU-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000930451354 627979364 /nfs/dbraw/zinc/97/93/64/627979364.db2.gz OYLTYHAJYUDNGI-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)N1CCCCC1 ZINC000902365028 634619775 /nfs/dbraw/zinc/61/97/75/634619775.db2.gz WMCLMPDGHKXMCD-LSDHHAIUSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CC[NH2+]C12CCC2 ZINC000925512148 628044300 /nfs/dbraw/zinc/04/43/00/628044300.db2.gz ABNPABXTTZKYNN-CABCVRRESA-N 2 1 265.445 2.125 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC[N@H+]1C ZINC000925513968 628050089 /nfs/dbraw/zinc/05/00/89/628050089.db2.gz CJFNTMVISFLQQK-SIXLDLHFSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCN1C ZINC000925513968 628050091 /nfs/dbraw/zinc/05/00/91/628050091.db2.gz CJFNTMVISFLQQK-SIXLDLHFSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC[N@@H+]1C ZINC000925513968 628050095 /nfs/dbraw/zinc/05/00/95/628050095.db2.gz CJFNTMVISFLQQK-SIXLDLHFSA-N 3 1 279.472 2.227 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC[N@H+]1C ZINC000925513968 628050098 /nfs/dbraw/zinc/05/00/98/628050098.db2.gz CJFNTMVISFLQQK-SIXLDLHFSA-N 3 1 279.472 2.227 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000312054026 628087244 /nfs/dbraw/zinc/08/72/44/628087244.db2.gz YDNBKIYFXFZQAI-HOCLYGCPSA-N 2 1 260.381 2.058 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000312054026 628087249 /nfs/dbraw/zinc/08/72/49/628087249.db2.gz YDNBKIYFXFZQAI-HOCLYGCPSA-N 2 1 260.381 2.058 20 0 CEADMP C([C@H]1CCC2(CCCC2)O1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000312089139 628112064 /nfs/dbraw/zinc/11/20/64/628112064.db2.gz YGAKHHIGUWGKRS-RRFJBIMHSA-N 2 1 264.413 2.020 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902389939 634630996 /nfs/dbraw/zinc/63/09/96/634630996.db2.gz COESZVSJEHFZME-CQSZACIVSA-N 2 1 267.461 2.229 20 0 CEADMP O=C(CC[NH2+][C@H]1CC[NH2+]C12CCCC2)N1CCCCCC1 ZINC000925544628 628182237 /nfs/dbraw/zinc/18/22/37/628182237.db2.gz TYDNDEZIVUAPJJ-HNNXBMFYSA-N 2 1 293.455 2.043 20 0 CEADMP CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925547371 628187126 /nfs/dbraw/zinc/18/71/26/628187126.db2.gz BXBWLLNXJVQTQR-UPJWGTAASA-N 2 1 291.443 2.171 20 0 CEADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCO1 ZINC000893256002 628191540 /nfs/dbraw/zinc/19/15/40/628191540.db2.gz PBIKFJDFTBGVKB-ZKXZWOTCSA-N 2 1 252.402 2.159 20 0 CEADMP CC(C)c1nc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cs1 ZINC000925565109 628237002 /nfs/dbraw/zinc/23/70/02/628237002.db2.gz OXYITOYIMPBGHS-WPTOEGHWSA-N 2 1 291.464 2.395 20 0 CEADMP COc1cccc(OCCC[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000925581703 628260313 /nfs/dbraw/zinc/26/03/13/628260313.db2.gz TVASRSJVNGDRQQ-HNNXBMFYSA-N 2 1 278.396 2.194 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC000893305218 628281376 /nfs/dbraw/zinc/28/13/76/628281376.db2.gz TUAXSQFSNGYOQM-UHFFFAOYSA-N 2 1 266.335 2.359 20 0 CEADMP CCc1onc(C)c1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902402140 634637922 /nfs/dbraw/zinc/63/79/22/634637922.db2.gz BPUJYJFDJKQETK-LBPRGKRZSA-N 2 1 265.401 2.413 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H](c2ccccc2)[C@@H](C)[NH3+])C1 ZINC000925612944 628296014 /nfs/dbraw/zinc/29/60/14/628296014.db2.gz ONIKDRZTGFMCHK-BFYDXBDKSA-N 2 1 275.440 2.396 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000925617133 628304014 /nfs/dbraw/zinc/30/40/14/628304014.db2.gz VANMECIEXDGPKY-PBHICJAKSA-N 3 1 288.439 2.028 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)ncn1 ZINC000925626635 628320353 /nfs/dbraw/zinc/32/03/53/628320353.db2.gz RYAJSWGJOBMCNB-CVEARBPZSA-N 2 1 274.412 2.043 20 0 CEADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCC[C@H](C)CO)c1ccccc1 ZINC000925627492 628321629 /nfs/dbraw/zinc/32/16/29/628321629.db2.gz AWZBCMUBLDTIII-GZBFAFLISA-N 2 1 250.386 2.073 20 0 CEADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925628656 628324184 /nfs/dbraw/zinc/32/41/84/628324184.db2.gz FUZMUEQLLTWZGO-MRXNPFEDSA-N 2 1 290.455 2.234 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000925630457 628325763 /nfs/dbraw/zinc/32/57/63/628325763.db2.gz BTAHHLSSGIZCCB-HOCLYGCPSA-N 3 1 275.440 2.396 20 0 CEADMP C[C@H]([NH3+])[C@H](NCC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000925630457 628325766 /nfs/dbraw/zinc/32/57/66/628325766.db2.gz BTAHHLSSGIZCCB-HOCLYGCPSA-N 2 1 275.440 2.396 20 0 CEADMP CC(C)[C@@H](O)C1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925634146 628330546 /nfs/dbraw/zinc/33/05/46/628330546.db2.gz HEAIOHSXSKRVRN-UONOGXRCSA-N 2 1 266.429 2.048 20 0 CEADMP COc1ccc(F)cc1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925646410 628348014 /nfs/dbraw/zinc/34/80/14/628348014.db2.gz UYSXJHIZAGROPR-ZIAGYGMSSA-N 2 1 264.344 2.194 20 0 CEADMP Cc1cc(Cl)nc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925659600 628371027 /nfs/dbraw/zinc/37/10/27/628371027.db2.gz FBEIGGDXKUNOBF-VXGBXAGGSA-N 2 1 265.788 2.403 20 0 CEADMP c1ccc2c(c1)OC[C@@H]2C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925667214 628384788 /nfs/dbraw/zinc/38/47/88/628384788.db2.gz APHZXRNYUCFEPJ-WFASDCNBSA-N 2 1 258.365 2.037 20 0 CEADMP c1ccc2c(c1)OC[C@@H]2C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925667212 628385096 /nfs/dbraw/zinc/38/50/96/628385096.db2.gz APHZXRNYUCFEPJ-SWLSCSKDSA-N 2 1 258.365 2.037 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925672603 628456201 /nfs/dbraw/zinc/45/62/01/628456201.db2.gz WFQGWDUXKZGMGL-FZKCQIBNSA-N 2 1 279.472 2.227 20 0 CEADMP CC(C)[NH2+]CCCN[C@H](CCC[NH3+])c1ccccc1 ZINC000925691634 628509343 /nfs/dbraw/zinc/50/93/43/628509343.db2.gz JCJQYSOOWDGKTG-MRXNPFEDSA-N 2 1 263.429 2.444 20 0 CEADMP C[NH+]1C[C@]2(C)CN(C[C@H]3CC4(CCC4)CO3)C[C@@]2(C)C1 ZINC000931316014 628516352 /nfs/dbraw/zinc/51/63/52/628516352.db2.gz FUZDPSZRLPGVQE-BZUAXINKSA-N 2 1 278.440 2.219 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000925720005 628584763 /nfs/dbraw/zinc/58/47/63/628584763.db2.gz CMXLGVZJWZMOEO-GUBZILKMSA-N 2 1 251.201 2.300 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)C12CCC2 ZINC000925723511 628608245 /nfs/dbraw/zinc/60/82/45/628608245.db2.gz WZIWFSALLAQSRA-NEPJUHHUSA-N 2 1 252.308 2.324 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)CC2 ZINC000902448176 634671494 /nfs/dbraw/zinc/67/14/94/634671494.db2.gz DHHAAFAQCCQHLO-HOCLYGCPSA-N 2 1 274.408 2.140 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH+]2CCN(c3cccc(F)c3)CC2)C12CCC2 ZINC000925727402 628646586 /nfs/dbraw/zinc/64/65/86/628646586.db2.gz OZOYBICRYCMRAZ-CVEARBPZSA-N 2 1 289.398 2.218 20 0 CEADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902449438 634672174 /nfs/dbraw/zinc/67/21/74/634672174.db2.gz OJCNZOZVGVZEEX-HOTGVXAUSA-N 2 1 294.414 2.361 20 0 CEADMP COC(=O)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC000893535084 628690520 /nfs/dbraw/zinc/69/05/20/628690520.db2.gz KHKBDKZTRDHXBU-GOOCMWNKSA-N 2 1 294.439 2.325 20 0 CEADMP CCOc1ccc(CC[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000258967048 628785556 /nfs/dbraw/zinc/78/55/56/628785556.db2.gz YNCJJPKBNVRGER-UHFFFAOYSA-N 2 1 250.386 2.297 20 0 CEADMP CCOc1ccc(CC[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000258967048 628785560 /nfs/dbraw/zinc/78/55/60/628785560.db2.gz YNCJJPKBNVRGER-UHFFFAOYSA-N 2 1 250.386 2.297 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)cc1 ZINC000925786850 628828013 /nfs/dbraw/zinc/82/80/13/628828013.db2.gz WAPPZJUORARSGE-OSAQELSMSA-N 2 1 282.815 2.473 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4c3CC[NH2+]C4)CC[C@@H]21 ZINC000317472548 628833919 /nfs/dbraw/zinc/83/39/19/628833919.db2.gz CPLCVXJUXPHUBA-MJGOQNOKSA-N 3 1 299.462 2.248 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CC[C@@H]21 ZINC000317472548 628833923 /nfs/dbraw/zinc/83/39/23/628833923.db2.gz CPLCVXJUXPHUBA-MJGOQNOKSA-N 3 1 299.462 2.248 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CC[C@@H]21 ZINC000317472548 628833926 /nfs/dbraw/zinc/83/39/26/628833926.db2.gz CPLCVXJUXPHUBA-MJGOQNOKSA-N 3 1 299.462 2.248 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C1(Br)CC1 ZINC000925806019 628856972 /nfs/dbraw/zinc/85/69/72/628856972.db2.gz NTMULVWJEDHROK-VHSXEESVSA-N 2 1 284.201 2.104 20 0 CEADMP CCN(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000925810867 628862522 /nfs/dbraw/zinc/86/25/22/628862522.db2.gz BCTUEXXTXXHGFA-HUUCEWRRSA-N 2 1 289.423 2.017 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000893651606 628893878 /nfs/dbraw/zinc/89/38/78/628893878.db2.gz KNROVZDDTRBMQC-GOSISDBHSA-N 2 1 286.419 2.460 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCOCC3(CCCC3)C2)CC1 ZINC000893684017 628915535 /nfs/dbraw/zinc/91/55/35/628915535.db2.gz NNAZSBZZHKCTFN-UHFFFAOYSA-N 2 1 266.429 2.221 20 0 CEADMP C[C@H](NCC(C)(C)[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261540236 628936715 /nfs/dbraw/zinc/93/67/15/628936715.db2.gz DVQQMKOPUROWRW-HOCLYGCPSA-N 2 1 275.440 2.224 20 0 CEADMP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925848088 628951996 /nfs/dbraw/zinc/95/19/96/628951996.db2.gz ZVTCGBDJQOLLBT-JKSUJKDBSA-N 2 1 281.488 2.476 20 0 CEADMP CC[N@@H+](CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1CC1 ZINC000261630275 628952943 /nfs/dbraw/zinc/95/29/43/628952943.db2.gz ATERHPCJEFUPDP-BRWVUGGUSA-N 2 1 279.472 2.371 20 0 CEADMP CCN(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1CC1 ZINC000261630275 628952946 /nfs/dbraw/zinc/95/29/46/628952946.db2.gz ATERHPCJEFUPDP-BRWVUGGUSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H](NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925861173 628961687 /nfs/dbraw/zinc/96/16/87/628961687.db2.gz OAFRWSWIZFNWLA-CIDNJEQPSA-N 2 1 265.445 2.124 20 0 CEADMP COC[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)C(C)C ZINC000925873408 628972695 /nfs/dbraw/zinc/97/26/95/628972695.db2.gz JKFLZOSXQLOFIF-NEPJUHHUSA-N 2 1 251.374 2.063 20 0 CEADMP Cc1cc(F)c(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c(F)c1 ZINC000925874024 628973505 /nfs/dbraw/zinc/97/35/05/628973505.db2.gz GRICXQUTUYTGRC-ITDIGPHOSA-N 2 1 284.350 2.115 20 0 CEADMP CC[C@H](N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000925882899 628981894 /nfs/dbraw/zinc/98/18/94/628981894.db2.gz ADMBMKRTNOBNDO-XLAORIBOSA-N 2 1 287.451 2.166 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902521411 634713382 /nfs/dbraw/zinc/71/33/82/634713382.db2.gz SJYRNYAVIQHBEL-JGNHQEBTSA-N 2 1 296.414 2.193 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261835692 629265408 /nfs/dbraw/zinc/26/54/08/629265408.db2.gz JJNKELWNOFDZKY-CQSZACIVSA-N 2 1 276.409 2.309 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261835692 629265411 /nfs/dbraw/zinc/26/54/11/629265411.db2.gz JJNKELWNOFDZKY-CQSZACIVSA-N 2 1 276.409 2.309 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1cccc(C[NH+](C)C)c1 ZINC000924944768 629283475 /nfs/dbraw/zinc/28/34/75/629283475.db2.gz DDCCZCAFGFDJQD-OLZOCXBDSA-N 2 1 287.411 2.289 20 0 CEADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1(Cl)CC1 ZINC000924959891 629297120 /nfs/dbraw/zinc/29/71/20/629297120.db2.gz QCVSUHSHXAXTSV-ZDUSSCGKSA-N 2 1 287.879 2.010 20 0 CEADMP C[N@@H+](CCN[C@@H]1CCC[NH+]2CCCC[C@@H]12)C1CCCC1 ZINC000924969295 629309259 /nfs/dbraw/zinc/30/92/59/629309259.db2.gz ILZDZXVHJRJXMD-SJORKVTESA-N 2 1 279.472 2.467 20 0 CEADMP C[NH+](CCN[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000924969295 629309262 /nfs/dbraw/zinc/30/92/62/629309262.db2.gz ILZDZXVHJRJXMD-SJORKVTESA-N 2 1 279.472 2.467 20 0 CEADMP C[NH+](CCN[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000924969295 629309266 /nfs/dbraw/zinc/30/92/66/629309266.db2.gz ILZDZXVHJRJXMD-SJORKVTESA-N 2 1 279.472 2.467 20 0 CEADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000924994843 629332931 /nfs/dbraw/zinc/33/29/31/629332931.db2.gz SIDFVJJNBMUOPW-RRFJBIMHSA-N 2 1 254.418 2.024 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000894358454 629389625 /nfs/dbraw/zinc/38/96/25/629389625.db2.gz GEOGBASJZASIQW-LSDHHAIUSA-N 2 1 268.445 2.369 20 0 CEADMP Cc1ccnc(N)c1CNC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000894358690 629390130 /nfs/dbraw/zinc/39/01/30/629390130.db2.gz IXMMOZWYLQYTME-OAHLLOKOSA-N 2 1 290.455 2.430 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000894358690 629390136 /nfs/dbraw/zinc/39/01/36/629390136.db2.gz IXMMOZWYLQYTME-OAHLLOKOSA-N 2 1 290.455 2.430 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000894358690 629390138 /nfs/dbraw/zinc/39/01/38/629390138.db2.gz IXMMOZWYLQYTME-OAHLLOKOSA-N 2 1 290.455 2.430 20 0 CEADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2CC[C@@H]1CCCCO1 ZINC000880136220 629489830 /nfs/dbraw/zinc/48/98/30/629489830.db2.gz ICQUEEFQLQPJIY-RRFJBIMHSA-N 2 1 252.402 2.114 20 0 CEADMP CC(C)CCOCC[N@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000880134708 629489995 /nfs/dbraw/zinc/48/99/95/629489995.db2.gz UVGRRRXOLUMYJX-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)CCOCCN1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880134708 629489997 /nfs/dbraw/zinc/48/99/97/629489997.db2.gz UVGRRRXOLUMYJX-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP C[N@@H+]1C[C@H]2CN(C/C=C\c3cccc(F)c3)C[C@H]2C1 ZINC000894579631 629543539 /nfs/dbraw/zinc/54/35/39/629543539.db2.gz GPMLGYVYEDSVRL-JZIPVBLRSA-N 2 1 260.356 2.332 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C/C=C\c3cccc(F)c3)C[C@@H]2C1 ZINC000894579631 629543541 /nfs/dbraw/zinc/54/35/41/629543541.db2.gz GPMLGYVYEDSVRL-JZIPVBLRSA-N 2 1 260.356 2.332 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C/C=C\c3cccc(F)c3)C[C@@H]2C1 ZINC000894579631 629543544 /nfs/dbraw/zinc/54/35/44/629543544.db2.gz GPMLGYVYEDSVRL-JZIPVBLRSA-N 2 1 260.356 2.332 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C/C=C\c3cccc(F)c3)C[C@@H]2C1 ZINC000894579631 629543546 /nfs/dbraw/zinc/54/35/46/629543546.db2.gz GPMLGYVYEDSVRL-JZIPVBLRSA-N 2 1 260.356 2.332 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C/C=C\c3cccc(F)c3)C[C@@H]2C1 ZINC000894579631 629543549 /nfs/dbraw/zinc/54/35/49/629543549.db2.gz GPMLGYVYEDSVRL-JZIPVBLRSA-N 2 1 260.356 2.332 20 0 CEADMP Cn1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1C1CC1 ZINC000894623725 629562737 /nfs/dbraw/zinc/56/27/37/629562737.db2.gz QNSPUEDHNZODTE-KRWDZBQOSA-N 2 1 288.439 2.215 20 0 CEADMP Cn1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1C1CC1 ZINC000894623725 629562740 /nfs/dbraw/zinc/56/27/40/629562740.db2.gz QNSPUEDHNZODTE-KRWDZBQOSA-N 2 1 288.439 2.215 20 0 CEADMP Cn1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1C1CC1 ZINC000894623725 629562744 /nfs/dbraw/zinc/56/27/44/629562744.db2.gz QNSPUEDHNZODTE-KRWDZBQOSA-N 2 1 288.439 2.215 20 0 CEADMP Cn1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1C1CC1 ZINC000894623725 629562747 /nfs/dbraw/zinc/56/27/47/629562747.db2.gz QNSPUEDHNZODTE-KRWDZBQOSA-N 2 1 288.439 2.215 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]CC1CC[NH+](C)CC1 ZINC000894666667 629579678 /nfs/dbraw/zinc/57/96/78/629579678.db2.gz DABOBUQGAJFLBX-KRWDZBQOSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894783580 629640565 /nfs/dbraw/zinc/64/05/65/629640565.db2.gz VZPQPMSYZPMHPK-IAQYHMDHSA-N 2 1 288.395 2.041 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894783580 629640568 /nfs/dbraw/zinc/64/05/68/629640568.db2.gz VZPQPMSYZPMHPK-IAQYHMDHSA-N 2 1 288.395 2.041 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894783580 629640570 /nfs/dbraw/zinc/64/05/70/629640570.db2.gz VZPQPMSYZPMHPK-IAQYHMDHSA-N 2 1 288.395 2.041 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894783580 629640574 /nfs/dbraw/zinc/64/05/74/629640574.db2.gz VZPQPMSYZPMHPK-IAQYHMDHSA-N 2 1 288.395 2.041 20 0 CEADMP Cn1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(C2CC2)n1 ZINC000894807781 629652263 /nfs/dbraw/zinc/65/22/63/629652263.db2.gz XPIKZERKFWBOMX-UHFFFAOYSA-N 2 1 276.428 2.262 20 0 CEADMP CCOC[C@@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000894857048 629694779 /nfs/dbraw/zinc/69/47/79/629694779.db2.gz VYAPTXGYQXVMCB-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP Cn1ncc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1C1CC1 ZINC000894860347 629698155 /nfs/dbraw/zinc/69/81/55/629698155.db2.gz BBMVQJOWYQSCIV-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795926876 629715841 /nfs/dbraw/zinc/71/58/41/629715841.db2.gz JBKSNBLLEKTJNX-CQSZACIVSA-N 2 1 284.444 2.240 20 0 CEADMP CC[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@H](CC)O1 ZINC000894972719 629773413 /nfs/dbraw/zinc/77/34/13/629773413.db2.gz DUDDDSVUOUUXCX-GASCZTMLSA-N 2 1 254.418 2.218 20 0 CEADMP COC(=O)c1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cs1 ZINC000894984896 629784533 /nfs/dbraw/zinc/78/45/33/629784533.db2.gz NEGYCQOMTYNSGL-LBPRGKRZSA-N 2 1 296.436 2.356 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000262101699 629845419 /nfs/dbraw/zinc/84/54/19/629845419.db2.gz VPBXGFURHMFAQH-UHFFFAOYSA-N 2 1 275.396 2.056 20 0 CEADMP C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1OCCCO1 ZINC000749512584 629913794 /nfs/dbraw/zinc/91/37/94/629913794.db2.gz AVLRKKNHDUSGRA-ZBFHGGJFSA-N 2 1 294.439 2.088 20 0 CEADMP C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1OCCCO1 ZINC000749512584 629913797 /nfs/dbraw/zinc/91/37/97/629913797.db2.gz AVLRKKNHDUSGRA-ZBFHGGJFSA-N 2 1 294.439 2.088 20 0 CEADMP C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1OCCCO1 ZINC000749512584 629913801 /nfs/dbraw/zinc/91/38/01/629913801.db2.gz AVLRKKNHDUSGRA-ZBFHGGJFSA-N 2 1 294.439 2.088 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)n2)[C@H]2CCC[C@@H]21 ZINC000796837103 630028836 /nfs/dbraw/zinc/02/88/36/630028836.db2.gz NLTFLBPBVZWGMA-RDBSUJKOSA-N 2 1 263.360 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)n2)[C@H]2CCC[C@@H]21 ZINC000796837103 630028843 /nfs/dbraw/zinc/02/88/43/630028843.db2.gz NLTFLBPBVZWGMA-RDBSUJKOSA-N 2 1 263.360 2.183 20 0 CEADMP Cc1cccc2ncc(C[NH2+]CC[C@@H](C)[NH+](C)C)n21 ZINC000895298171 630086114 /nfs/dbraw/zinc/08/61/14/630086114.db2.gz STGNUWPOQRRMJU-GFCCVEGCSA-N 2 1 260.385 2.073 20 0 CEADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895377555 630149365 /nfs/dbraw/zinc/14/93/65/630149365.db2.gz MCXXBYJUQOYPRT-IUODEOHRSA-N 2 1 264.417 2.270 20 0 CEADMP Cc1n[nH]cc1C[N@@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895377555 630149371 /nfs/dbraw/zinc/14/93/71/630149371.db2.gz MCXXBYJUQOYPRT-IUODEOHRSA-N 2 1 264.417 2.270 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1CCCc1cnn(C)c1 ZINC000895378174 630150128 /nfs/dbraw/zinc/15/01/28/630150128.db2.gz HSEVWKWKDUAKJR-RDJZCZTQSA-N 2 1 292.471 2.405 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C)[C@H]1CCOC1 ZINC000895381673 630152494 /nfs/dbraw/zinc/15/24/94/630152494.db2.gz VFXVMQFFZUWLFA-YYIAUSFCSA-N 2 1 298.471 2.090 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1C ZINC000895428504 630178884 /nfs/dbraw/zinc/17/88/84/630178884.db2.gz HOJTULNQQWFNJX-ZDUSSCGKSA-N 2 1 278.396 2.211 20 0 CEADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@H](CC(F)(F)F)O1 ZINC000895470523 630209238 /nfs/dbraw/zinc/20/92/38/630209238.db2.gz WIWIZWKIYRKJRQ-AAEUAGOBSA-N 2 1 294.361 2.370 20 0 CEADMP CO[C@@](C)(C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)C1CC1 ZINC000895556371 630247511 /nfs/dbraw/zinc/24/75/11/630247511.db2.gz JAADTCOGUFQQNS-PBHICJAKSA-N 2 1 289.423 2.407 20 0 CEADMP CN(C)Cc1cnc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)s1 ZINC000895848792 630375172 /nfs/dbraw/zinc/37/51/72/630375172.db2.gz ULXVKGNLSGBSJZ-GXTWGEPZSA-N 2 1 295.452 2.206 20 0 CEADMP CCn1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(C)n1 ZINC000896001772 630432176 /nfs/dbraw/zinc/43/21/76/630432176.db2.gz GXNQAHOROWFDMU-AWEZNQCLSA-N 2 1 299.422 2.317 20 0 CEADMP CCn1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(C)n1 ZINC000896001772 630432179 /nfs/dbraw/zinc/43/21/79/630432179.db2.gz GXNQAHOROWFDMU-AWEZNQCLSA-N 2 1 299.422 2.317 20 0 CEADMP CN(C)c1cc[nH+]c(NC2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000896256654 630511025 /nfs/dbraw/zinc/51/10/25/630511025.db2.gz WUGRGHLGUJIMNF-UHFFFAOYSA-N 2 1 289.427 2.362 20 0 CEADMP CCc1ncc(CON=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000902775620 634822685 /nfs/dbraw/zinc/82/26/85/634822685.db2.gz ZSVSEZMIULIMIW-YOGCLGLASA-N 2 1 292.383 2.108 20 0 CEADMP CCc1ncc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000902775620 634822689 /nfs/dbraw/zinc/82/26/89/634822689.db2.gz ZSVSEZMIULIMIW-YOGCLGLASA-N 2 1 292.383 2.108 20 0 CEADMP CCc1ncc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000902775620 634822691 /nfs/dbraw/zinc/82/26/91/634822691.db2.gz ZSVSEZMIULIMIW-YOGCLGLASA-N 2 1 292.383 2.108 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC000902783054 634827513 /nfs/dbraw/zinc/82/75/13/634827513.db2.gz VBIJJRDYCZYGBR-XJKSGUPXSA-N 2 1 285.391 2.421 20 0 CEADMP CCc1ncc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)s1 ZINC000903977485 635395198 /nfs/dbraw/zinc/39/51/98/635395198.db2.gz QDGWHANZDJLABM-GHMZBOCLSA-N 2 1 253.415 2.122 20 0 CEADMP CCO[C@H](C[NH2+]CCc1cccc(Cl)c1)C[NH+](C)C ZINC000896879468 630699136 /nfs/dbraw/zinc/69/91/36/630699136.db2.gz BCAYHSQKPOCTPW-OAHLLOKOSA-N 2 1 284.831 2.439 20 0 CEADMP CCCNC(=O)[C@@H]1CCC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904317042 635564660 /nfs/dbraw/zinc/56/46/60/635564660.db2.gz UKRVXWIINJRYTG-HUUCEWRRSA-N 2 1 297.487 2.378 20 0 CEADMP CCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904317042 635564667 /nfs/dbraw/zinc/56/46/67/635564667.db2.gz UKRVXWIINJRYTG-HUUCEWRRSA-N 2 1 297.487 2.378 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(CCC(N)=O)CC1 ZINC000904322589 635569422 /nfs/dbraw/zinc/56/94/22/635569422.db2.gz DUIBTEQDRSKQQJ-AWEZNQCLSA-N 2 1 283.460 2.118 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904333473 635577394 /nfs/dbraw/zinc/57/73/94/635577394.db2.gz AKRSKKGQMKNFBI-INIZCTEOSA-N 2 1 260.381 2.182 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000904333833 635577481 /nfs/dbraw/zinc/57/74/81/635577481.db2.gz HMCXYTYHJUFBEF-AWEZNQCLSA-N 2 1 290.407 2.342 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](C[C@]3(C)CCC[NH2+]C3)C2)CC1 ZINC000904341500 635579228 /nfs/dbraw/zinc/57/92/28/635579228.db2.gz SSLFVKBMTNVLJC-MRXNPFEDSA-N 3 1 279.472 2.184 20 0 CEADMP CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000985441174 631080217 /nfs/dbraw/zinc/08/02/17/631080217.db2.gz WFIPDPXEKYZADQ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000985441174 631080220 /nfs/dbraw/zinc/08/02/20/631080220.db2.gz WFIPDPXEKYZADQ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000985441174 631080224 /nfs/dbraw/zinc/08/02/24/631080224.db2.gz WFIPDPXEKYZADQ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000985487295 631103853 /nfs/dbraw/zinc/10/38/53/631103853.db2.gz LHVAJPOETLXLSN-INIZCTEOSA-N 2 1 297.487 2.151 20 0 CEADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC000909611996 631131976 /nfs/dbraw/zinc/13/19/76/631131976.db2.gz CUNATJPUNYZWRW-UHFFFAOYSA-N 2 1 277.412 2.337 20 0 CEADMP CC(C)[N@@H+](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000985802938 631184094 /nfs/dbraw/zinc/18/40/94/631184094.db2.gz YNKSTWQXOMLODH-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCCCC[NH3+])C1 ZINC000237399737 631662708 /nfs/dbraw/zinc/66/27/08/631662708.db2.gz SMWMAAVMOQIPKK-OAHLLOKOSA-N 2 1 283.460 2.134 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C3(O)CCC3)CC2)[C@@H](C)C1 ZINC000897528644 631665961 /nfs/dbraw/zinc/66/59/61/631665961.db2.gz NIYFLJACHILIQI-UONOGXRCSA-N 2 1 266.429 2.002 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ncc[nH]2)C1 ZINC000067691549 631667547 /nfs/dbraw/zinc/66/75/47/631667547.db2.gz SESRGBRAGOSHPZ-ZDUSSCGKSA-N 2 1 250.390 2.011 20 0 CEADMP CC[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806139716 631719554 /nfs/dbraw/zinc/71/95/54/631719554.db2.gz QTOWMVQTHSFSJQ-VNQPRFMTSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCN(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897620510 631831142 /nfs/dbraw/zinc/83/11/42/631831142.db2.gz QZLJIWLDQJBDCM-SCTDSRPQSA-N 2 1 299.462 2.396 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCN(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897620510 631831143 /nfs/dbraw/zinc/83/11/43/631831143.db2.gz QZLJIWLDQJBDCM-SCTDSRPQSA-N 2 1 299.462 2.396 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)C[C@]2(C)C1 ZINC000897620510 631831144 /nfs/dbraw/zinc/83/11/44/631831144.db2.gz QZLJIWLDQJBDCM-SCTDSRPQSA-N 2 1 299.462 2.396 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@@]3(C)Br)C[C@]2(C)C1 ZINC000897620479 631831256 /nfs/dbraw/zinc/83/12/56/631831256.db2.gz PREGFZBJDAYMQC-FVCCEPFGSA-N 2 1 287.245 2.043 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@@]3(C)Br)C[C@]2(C)C1 ZINC000897620479 631831261 /nfs/dbraw/zinc/83/12/61/631831261.db2.gz PREGFZBJDAYMQC-FVCCEPFGSA-N 2 1 287.245 2.043 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3C[C@@]3(C)Br)C[C@]2(C)C1 ZINC000897620479 631831264 /nfs/dbraw/zinc/83/12/64/631831264.db2.gz PREGFZBJDAYMQC-FVCCEPFGSA-N 2 1 287.245 2.043 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3C[C@@]3(C)Br)C[C@]2(C)C1 ZINC000897620479 631831270 /nfs/dbraw/zinc/83/12/70/631831270.db2.gz PREGFZBJDAYMQC-FVCCEPFGSA-N 2 1 287.245 2.043 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000898110539 632054575 /nfs/dbraw/zinc/05/45/75/632054575.db2.gz FWQCXUCPXDMYOW-AWEZNQCLSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@H](C[NH2+]Cc1cnc([C@H](C)O)s1)C[NH+]1CCCCC1 ZINC000809607541 632109825 /nfs/dbraw/zinc/10/98/25/632109825.db2.gz CSTDONAUTTXUGO-OLZOCXBDSA-N 2 1 297.468 2.408 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc([C@H](C)O)s2)C1 ZINC000809610387 632110167 /nfs/dbraw/zinc/11/01/67/632110167.db2.gz ZBPDMGRZFXNUKE-NWDGAFQWSA-N 2 1 283.441 2.018 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc([C@H](C)O)s2)C1 ZINC000809610387 632110171 /nfs/dbraw/zinc/11/01/71/632110171.db2.gz ZBPDMGRZFXNUKE-NWDGAFQWSA-N 2 1 283.441 2.018 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC1CCC2(CC1)OCCO2 ZINC000809764789 632142987 /nfs/dbraw/zinc/14/29/87/632142987.db2.gz ISZGLAUTPREBGJ-GDBMZVCRSA-N 2 1 296.455 2.192 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC1CCC2(CC1)OCCO2 ZINC000809764789 632142991 /nfs/dbraw/zinc/14/29/91/632142991.db2.gz ISZGLAUTPREBGJ-GDBMZVCRSA-N 2 1 296.455 2.192 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC1CCC2(CC1)OCCO2 ZINC000809764789 632142996 /nfs/dbraw/zinc/14/29/96/632142996.db2.gz ISZGLAUTPREBGJ-GDBMZVCRSA-N 2 1 296.455 2.192 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC1CCC2(CC1)OCCO2 ZINC000809764789 632142999 /nfs/dbraw/zinc/14/29/99/632142999.db2.gz ISZGLAUTPREBGJ-GDBMZVCRSA-N 2 1 296.455 2.192 20 0 CEADMP CCO[C@@H](C[NH2+][C@H]1CCCc2ccccc2C1)C[NH+](C)C ZINC000926959866 632386540 /nfs/dbraw/zinc/38/65/40/632386540.db2.gz KVRYHFPHOXWSOJ-ROUUACIJSA-N 2 1 290.451 2.490 20 0 CEADMP CCO[C@@H](C[NH2+][C@H](C)Cc1ccccc1OC)C[NH+](C)C ZINC000926961967 632388899 /nfs/dbraw/zinc/38/88/99/632388899.db2.gz KXPYPUHRFYTAQV-ZBFHGGJFSA-N 2 1 294.439 2.183 20 0 CEADMP CCO[C@@H](C[NH2+]C1CC(c2ccccc2)C1)C[NH+](C)C ZINC000926961955 632388936 /nfs/dbraw/zinc/38/89/36/632388936.db2.gz KWFRFARUYMJRFI-JCYILVPMSA-N 2 1 276.424 2.489 20 0 CEADMP CCO[C@H](C[NH2+]C1CC(c2ccccc2)C1)C[NH+](C)C ZINC000926961959 632389322 /nfs/dbraw/zinc/38/93/22/632389322.db2.gz KWFRFARUYMJRFI-OFLPRAFFSA-N 2 1 276.424 2.489 20 0 CEADMP CCO[C@@H](C[NH2+][C@H]1CCCC2(CC2)C1)C[NH+](C)C ZINC000926964023 632392987 /nfs/dbraw/zinc/39/29/87/632392987.db2.gz PENKIOHZLQVVFJ-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP COC[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000927093203 632458277 /nfs/dbraw/zinc/45/82/77/632458277.db2.gz CVWPNKZKCOVFOI-DOTOQJQBSA-N 2 1 298.471 2.138 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)cn1 ZINC000924725839 632469369 /nfs/dbraw/zinc/46/93/69/632469369.db2.gz ZMMXEKYSWPRJDJ-TYNCELHUSA-N 2 1 286.379 2.089 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOC1CCSCC1 ZINC000898439300 632491769 /nfs/dbraw/zinc/49/17/69/632491769.db2.gz IQVYOGPMTVFKIB-UHFFFAOYSA-N 2 1 295.452 2.149 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000898479424 632512678 /nfs/dbraw/zinc/51/26/78/632512678.db2.gz VNLJAFGNUBKGNA-RDBSUJKOSA-N 2 1 282.428 2.181 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC000899506536 632883578 /nfs/dbraw/zinc/88/35/78/632883578.db2.gz PBSSRDKMJYIDSF-UHFFFAOYSA-N 2 1 292.427 2.074 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000111273204 632902091 /nfs/dbraw/zinc/90/20/91/632902091.db2.gz NKDPNUYZFDNFSP-KGLIPLIRSA-N 2 1 293.842 2.318 20 0 CEADMP CC(C)C(=O)CC[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000815144081 632970715 /nfs/dbraw/zinc/97/07/15/632970715.db2.gz UAOHGUVHTXNDAN-OAHLLOKOSA-N 2 1 252.402 2.019 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCCCCCO)C2)C1 ZINC000815144463 632970750 /nfs/dbraw/zinc/97/07/50/632970750.db2.gz ZYPFOTOPKLJVHU-MRXNPFEDSA-N 2 1 268.445 2.347 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCCCCCO)C2)C1 ZINC000815144463 632970752 /nfs/dbraw/zinc/97/07/52/632970752.db2.gz ZYPFOTOPKLJVHU-MRXNPFEDSA-N 2 1 268.445 2.347 20 0 CEADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000815564033 633031139 /nfs/dbraw/zinc/03/11/39/633031139.db2.gz VGSFFMNSZNIIFM-HIFRSBDPSA-N 2 1 280.387 2.241 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000842695262 633395357 /nfs/dbraw/zinc/39/53/57/633395357.db2.gz ZCRHMFWJJVQNPP-RBSFLKMASA-N 2 1 254.418 2.121 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccoc3)CC2)CC1 ZINC000817414355 633653562 /nfs/dbraw/zinc/65/35/62/633653562.db2.gz XCSPEPSBDNKBFC-UHFFFAOYSA-N 2 1 291.439 2.272 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC000817578892 633700889 /nfs/dbraw/zinc/70/08/89/633700889.db2.gz ZHWDHWRWBFIZRY-ARFHVFGLSA-N 2 1 296.455 2.177 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC000817578892 633700892 /nfs/dbraw/zinc/70/08/92/633700892.db2.gz ZHWDHWRWBFIZRY-ARFHVFGLSA-N 2 1 296.455 2.177 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000817676422 633718149 /nfs/dbraw/zinc/71/81/49/633718149.db2.gz GYYCCTDQLVWLKJ-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817676422 633718153 /nfs/dbraw/zinc/71/81/53/633718153.db2.gz GYYCCTDQLVWLKJ-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000817676422 633718155 /nfs/dbraw/zinc/71/81/55/633718155.db2.gz GYYCCTDQLVWLKJ-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCOC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000817880362 633750935 /nfs/dbraw/zinc/75/09/35/633750935.db2.gz QIKJQFCIODQBEN-MJBXVCDLSA-N 2 1 270.417 2.025 20 0 CEADMP CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000817900341 633760067 /nfs/dbraw/zinc/76/00/67/633760067.db2.gz OEAZMMREMUBKCB-HBNTYKKESA-N 2 1 251.399 2.429 20 0 CEADMP Cc1cccc(OCCC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000817906855 633765965 /nfs/dbraw/zinc/76/59/65/633765965.db2.gz FJDUKIPLTPTFHY-GDBMZVCRSA-N 2 1 262.397 2.494 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@H+]1CCC[C@@H]1C ZINC000817914397 633773473 /nfs/dbraw/zinc/77/34/73/633773473.db2.gz WALCVAHSNDWSDE-ZOBUZTSGSA-N 2 1 275.440 2.019 20 0 CEADMP CC[C@H]([NH2+]CCc1cnc(C)s1)[C@@H]1CCC[NH2+]1 ZINC000817915238 633774492 /nfs/dbraw/zinc/77/44/92/633774492.db2.gz JJCPTWAKNQLGQY-STQMWFEESA-N 2 1 253.415 2.114 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccnc1Cl ZINC000817946551 633793761 /nfs/dbraw/zinc/79/37/61/633793761.db2.gz ZAUWAUPKZSPHOE-WDEREUQCSA-N 2 1 253.777 2.385 20 0 CEADMP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000817953618 633797709 /nfs/dbraw/zinc/79/77/09/633797709.db2.gz PNNFPNZRJSHELC-ONGXEEELSA-N 2 1 250.308 2.449 20 0 CEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000817959605 633802091 /nfs/dbraw/zinc/80/20/91/633802091.db2.gz HQLZTVVAQDWJHO-LRDDRELGSA-N 2 1 287.407 2.201 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000817978506 633822038 /nfs/dbraw/zinc/82/20/38/633822038.db2.gz BXFVPLHOTFGEMD-JSGCOSHPSA-N 2 1 275.396 2.201 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)C1CC1 ZINC000818960932 634017394 /nfs/dbraw/zinc/01/73/94/634017394.db2.gz KWFVXSBCDCWOAZ-KRWDZBQOSA-N 2 1 276.424 2.387 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)C1CC1 ZINC000818960935 634017765 /nfs/dbraw/zinc/01/77/65/634017765.db2.gz KWFVXSBCDCWOAZ-QGZVFWFLSA-N 2 1 276.424 2.387 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cc(F)ccc2F)C1 ZINC000818979923 634026402 /nfs/dbraw/zinc/02/64/02/634026402.db2.gz DPPDBBWTXFUUMQ-LRDDRELGSA-N 2 1 298.377 2.320 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)C1=CC[N@@H+](C)CC1 ZINC000819219436 634107939 /nfs/dbraw/zinc/10/79/39/634107939.db2.gz DOVKWYBPNUPHLV-MLGOLLRUSA-N 2 1 278.371 2.099 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000819250084 634117676 /nfs/dbraw/zinc/11/76/76/634117676.db2.gz ULHKVQICUWMGEH-PVAVHDDUSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000819250084 634117677 /nfs/dbraw/zinc/11/76/77/634117677.db2.gz ULHKVQICUWMGEH-PVAVHDDUSA-N 2 1 276.424 2.258 20 0 CEADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000819278547 634125610 /nfs/dbraw/zinc/12/56/10/634125610.db2.gz QDASHNUYKNZSNC-OFLPRAFFSA-N 2 1 274.408 2.327 20 0 CEADMP CCC[N@H+]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903076403 634957792 /nfs/dbraw/zinc/95/77/92/634957792.db2.gz PHUHQAQRIJMQSI-DUZACMNTSA-N 2 1 291.483 2.466 20 0 CEADMP CCC[NH+]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903076403 634957795 /nfs/dbraw/zinc/95/77/95/634957795.db2.gz PHUHQAQRIJMQSI-DUZACMNTSA-N 2 1 291.483 2.466 20 0 CEADMP CCC[NH+]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903076403 634957799 /nfs/dbraw/zinc/95/77/99/634957799.db2.gz PHUHQAQRIJMQSI-DUZACMNTSA-N 2 1 291.483 2.466 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903076403 634957800 /nfs/dbraw/zinc/95/78/00/634957800.db2.gz PHUHQAQRIJMQSI-DUZACMNTSA-N 3 1 291.483 2.466 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903076403 634957804 /nfs/dbraw/zinc/95/78/04/634957804.db2.gz PHUHQAQRIJMQSI-DUZACMNTSA-N 3 1 291.483 2.466 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903076403 634957808 /nfs/dbraw/zinc/95/78/08/634957808.db2.gz PHUHQAQRIJMQSI-DUZACMNTSA-N 3 1 291.483 2.466 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903076403 634957810 /nfs/dbraw/zinc/95/78/10/634957810.db2.gz PHUHQAQRIJMQSI-DUZACMNTSA-N 3 1 291.483 2.466 20 0 CEADMP c1csc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)n1 ZINC000903088504 634963308 /nfs/dbraw/zinc/96/33/08/634963308.db2.gz ZJOJGFPBILUZDJ-QXMXGUDHSA-N 2 1 277.437 2.433 20 0 CEADMP COCCOCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903087433 634963516 /nfs/dbraw/zinc/96/35/16/634963516.db2.gz UOYXMAJYOVVPOO-ZXFUBFMLSA-N 2 1 296.455 2.177 20 0 CEADMP CC1CC[NH+](CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903068590 634964972 /nfs/dbraw/zinc/96/49/72/634964972.db2.gz IEJYGOGBQLUPTK-ZNXRZULTSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000903069648 634965023 /nfs/dbraw/zinc/96/50/23/634965023.db2.gz IURIYDVDQCDESD-NQLMQOPMSA-N 2 1 278.440 2.121 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000903069651 634966240 /nfs/dbraw/zinc/96/62/40/634966240.db2.gz IURIYDVDQCDESD-VCCANDMLSA-N 2 1 278.440 2.121 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCOC1 ZINC000903104569 634971910 /nfs/dbraw/zinc/97/19/10/634971910.db2.gz WBRYPQYPNANHQQ-RRYDCEEVSA-N 2 1 264.413 2.159 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903092001 634974059 /nfs/dbraw/zinc/97/40/59/634974059.db2.gz FEOATMRXOJRAAH-XJKSGUPXSA-N 2 1 259.397 2.464 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903092001 634974061 /nfs/dbraw/zinc/97/40/61/634974061.db2.gz FEOATMRXOJRAAH-XJKSGUPXSA-N 2 1 259.397 2.464 20 0 CEADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000903091734 634974394 /nfs/dbraw/zinc/97/43/94/634974394.db2.gz ZMNPVTJIMRSVSB-SOUVJXGZSA-N 2 1 254.418 2.264 20 0 CEADMP c1[nH]nc2c1CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)C2 ZINC000903113176 634977621 /nfs/dbraw/zinc/97/76/21/634977621.db2.gz SLOOVCKOAKCMII-WYQXTGKHSA-N 2 1 286.423 2.014 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000903132656 634984945 /nfs/dbraw/zinc/98/49/45/634984945.db2.gz VHIKEMXDMLPAOC-MRXNPFEDSA-N 2 1 257.381 2.384 20 0 CEADMP O[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C12CCC2 ZINC000903200520 635010382 /nfs/dbraw/zinc/01/03/82/635010382.db2.gz QJRSFMDETOMDEL-SXPAGVDESA-N 2 1 276.424 2.037 20 0 CEADMP C[C@@H](Cc1cnn(C)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903187167 635012834 /nfs/dbraw/zinc/01/28/34/635012834.db2.gz REJLVIJONAMUOJ-IICXIOTHSA-N 2 1 288.439 2.099 20 0 CEADMP CCn1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903206110 635015076 /nfs/dbraw/zinc/01/50/76/635015076.db2.gz PBZBFKIKOWDSFN-LQDVMPOASA-N 2 1 274.412 2.150 20 0 CEADMP CCn1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903206110 635015078 /nfs/dbraw/zinc/01/50/78/635015078.db2.gz PBZBFKIKOWDSFN-LQDVMPOASA-N 2 1 274.412 2.150 20 0 CEADMP CCC[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903210208 635016991 /nfs/dbraw/zinc/01/69/91/635016991.db2.gz VDLDOQIZKASWJV-WPXLMEDKSA-N 2 1 266.429 2.285 20 0 CEADMP OC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903293487 635043420 /nfs/dbraw/zinc/04/34/20/635043420.db2.gz SXDBHLIQPACMAA-KZNAEPCWSA-N 2 1 288.435 2.197 20 0 CEADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000903322391 635056510 /nfs/dbraw/zinc/05/65/10/635056510.db2.gz MWPUOOVEVNSTFL-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CC[N@H+]2C)CC1 ZINC000903322391 635056515 /nfs/dbraw/zinc/05/65/15/635056515.db2.gz MWPUOOVEVNSTFL-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)(C)OC[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000903418788 635108011 /nfs/dbraw/zinc/10/80/11/635108011.db2.gz ULIWUSPFWGFSBA-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP CCc1nc([C@H]2CCCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000903432425 635114702 /nfs/dbraw/zinc/11/47/02/635114702.db2.gz BHCSMZHZQZAKAV-FRRDWIJNSA-N 2 1 278.400 2.286 20 0 CEADMP CCc1nc([C@H]2CCCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000903432425 635114706 /nfs/dbraw/zinc/11/47/06/635114706.db2.gz BHCSMZHZQZAKAV-FRRDWIJNSA-N 2 1 278.400 2.286 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000903460385 635126403 /nfs/dbraw/zinc/12/64/03/635126403.db2.gz ABTQPALYSWRXJC-LYYZXLFJSA-N 2 1 266.429 2.393 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC[C@H]1[NH3+] ZINC000903450107 635134667 /nfs/dbraw/zinc/13/46/67/635134667.db2.gz MDFJIKCMQSQPME-UJPOAAIJSA-N 2 1 258.356 2.337 20 0 CEADMP c1cc(CC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)sn1 ZINC000903453570 635137012 /nfs/dbraw/zinc/13/70/12/635137012.db2.gz CESRGJFYDVITRF-JSGCOSHPSA-N 2 1 265.426 2.150 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C)c1nccs1 ZINC000903455485 635139184 /nfs/dbraw/zinc/13/91/84/635139184.db2.gz WRSVNIVMSAHBAV-UTUOFQBUSA-N 2 1 253.415 2.034 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CCCCC1 ZINC000903470432 635141264 /nfs/dbraw/zinc/14/12/64/635141264.db2.gz BPUTUAGGOZWAPI-CABCVRRESA-N 2 1 266.429 2.456 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471890 635142978 /nfs/dbraw/zinc/14/29/78/635142978.db2.gz VYGAEJYTATXVOS-INIZCTEOSA-N 2 1 284.407 2.219 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000903474964 635143657 /nfs/dbraw/zinc/14/36/57/635143657.db2.gz WNUXMOCOKMXVEH-WXYCVUISSA-N 2 1 294.826 2.303 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000903474964 635143660 /nfs/dbraw/zinc/14/36/60/635143660.db2.gz WNUXMOCOKMXVEH-WXYCVUISSA-N 2 1 294.826 2.303 20 0 CEADMP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CC[NH2+]CCC34CCC4)C[C@@H]21 ZINC000903482308 635149977 /nfs/dbraw/zinc/14/99/77/635149977.db2.gz BEGHTOPUCPOYMB-XYYAHUGASA-N 2 1 270.367 2.496 20 0 CEADMP c1ccc(COCC[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903483138 635150668 /nfs/dbraw/zinc/15/06/68/635150668.db2.gz DZAMOSDSEUPNQD-INIZCTEOSA-N 2 1 274.408 2.468 20 0 CEADMP c1ccc2c(c1)C[C@@H](C[NH2+][C@@H]1CC[NH2+]C13CCCC3)O2 ZINC000903483699 635150990 /nfs/dbraw/zinc/15/09/90/635150990.db2.gz KJEXJUKLRSXGEM-GOEBONIOSA-N 2 1 272.392 2.254 20 0 CEADMP CCOc1ccc(OCC[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903494970 635157744 /nfs/dbraw/zinc/15/77/44/635157744.db2.gz SWUGPHBSHYCROH-HUUCEWRRSA-N 2 1 292.423 2.381 20 0 CEADMP C[C@]1([C@H]2CCC[N@@H+](CCCCCCC[NH3+])C2)COC(=O)N1 ZINC000903560891 635163264 /nfs/dbraw/zinc/16/32/64/635163264.db2.gz CXEUNJWSQBDVSO-GOEBONIOSA-N 2 1 297.443 2.106 20 0 CEADMP Fc1cccc(C[N@@H+](CCN2CC[NH2+]CC2)C2CCC2)c1 ZINC000903569894 635168818 /nfs/dbraw/zinc/16/88/18/635168818.db2.gz NMPNOBMIUFZIIV-UHFFFAOYSA-N 2 1 291.414 2.085 20 0 CEADMP CC[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCCCC1 ZINC000903717369 635232597 /nfs/dbraw/zinc/23/25/97/635232597.db2.gz PEMPFLOGDSJIMI-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718281 635233206 /nfs/dbraw/zinc/23/32/06/635233206.db2.gz JYHRJVYNWATNJL-INIZCTEOSA-N 2 1 292.398 2.416 20 0 CEADMP C[N@H+](Cc1cccc(F)c1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717995 635233913 /nfs/dbraw/zinc/23/39/13/635233913.db2.gz GYMHDEQAIYSJIW-HOTGVXAUSA-N 2 1 278.371 2.026 20 0 CEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722421 635236063 /nfs/dbraw/zinc/23/60/63/635236063.db2.gz AOCNRHGKAGNJPA-ARFHVFGLSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@@H+](CCC(F)(F)F)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903726957 635239891 /nfs/dbraw/zinc/23/98/91/635239891.db2.gz PNXVXZHDRUZDDB-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP C[C@@H](O)C[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CCCCC1 ZINC000903726519 635239987 /nfs/dbraw/zinc/23/99/87/635239987.db2.gz MLUSKLYFHLYESY-CABCVRRESA-N 2 1 268.445 2.392 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903747079 635246677 /nfs/dbraw/zinc/24/66/77/635246677.db2.gz OZKMGXHAYZXIGP-QJPTWQEYSA-N 2 1 280.334 2.157 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903747079 635246678 /nfs/dbraw/zinc/24/66/78/635246678.db2.gz OZKMGXHAYZXIGP-QJPTWQEYSA-N 2 1 280.334 2.157 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903753303 635249113 /nfs/dbraw/zinc/24/91/13/635249113.db2.gz SWCFABBKSILZSL-UGUYLWEFSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]([N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1(C)CC1 ZINC000903734231 635250412 /nfs/dbraw/zinc/25/04/12/635250412.db2.gz WHFILPJFLDRFRS-KBPBESRZSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1ncsc1C[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903737713 635251429 /nfs/dbraw/zinc/25/14/29/635251429.db2.gz VJVZNZHWTPHGLB-CYBMUJFWSA-N 2 1 295.452 2.042 20 0 CEADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903760254 635255775 /nfs/dbraw/zinc/25/57/75/635255775.db2.gz WLRZEEZBJIPHNH-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP c1cncc([C@H]2CC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)c1 ZINC000903763203 635257518 /nfs/dbraw/zinc/25/75/18/635257518.db2.gz IHHXBVSLDVNTOG-HOCLYGCPSA-N 2 1 259.397 2.261 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903779808 635266144 /nfs/dbraw/zinc/26/61/44/635266144.db2.gz BIQPKFUQHJXHFM-GJZGRUSLSA-N 2 1 282.428 2.041 20 0 CEADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782530 635266712 /nfs/dbraw/zinc/26/67/12/635266712.db2.gz OIQCCOVRLPAVRD-UMVBOHGHSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@H+](CCOC1CCSCC1)C1(C[NH3+])CCCCC1 ZINC000903782187 635266896 /nfs/dbraw/zinc/26/68/96/635266896.db2.gz GNCUYADABCHFEN-UHFFFAOYSA-N 2 1 286.485 2.492 20 0 CEADMP C[N@@H+](CCOC1CCSCC1)C1(C[NH3+])CCCCC1 ZINC000903782187 635266903 /nfs/dbraw/zinc/26/69/03/635266903.db2.gz GNCUYADABCHFEN-UHFFFAOYSA-N 2 1 286.485 2.492 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CC2CCOCC2)CCC1 ZINC000903816264 635273800 /nfs/dbraw/zinc/27/38/00/635273800.db2.gz XIKPUVPSEIHYOR-OAHLLOKOSA-N 2 1 266.429 2.397 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2C[C@H]1CC2(CCC2)CO1 ZINC000903801090 635278628 /nfs/dbraw/zinc/27/86/28/635278628.db2.gz KWBNUBXQXCFAKN-IIAWOOMASA-N 2 1 264.413 2.149 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2C[C@H]1CC2(CCC2)CO1 ZINC000903801090 635278631 /nfs/dbraw/zinc/27/86/31/635278631.db2.gz KWBNUBXQXCFAKN-IIAWOOMASA-N 2 1 264.413 2.149 20 0 CEADMP Cc1noc(C[C@@H]2CCC[N@@H+](CCCCCC[NH3+])C2)n1 ZINC000903824892 635292492 /nfs/dbraw/zinc/29/24/92/635292492.db2.gz UMQMFRGYBBSYTK-AWEZNQCLSA-N 2 1 280.416 2.152 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1ccc(F)cc1)C2 ZINC000903850689 635304089 /nfs/dbraw/zinc/30/40/89/635304089.db2.gz XKMAVFRJVTWKEZ-UBHSHLNASA-N 2 1 264.344 2.016 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+])C1CCCCC1 ZINC000903861811 635312600 /nfs/dbraw/zinc/31/26/00/635312600.db2.gz YHRLAFIGFFICFV-BZUAXINKSA-N 2 1 266.429 2.395 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+])C1CCCCC1 ZINC000903861811 635312608 /nfs/dbraw/zinc/31/26/08/635312608.db2.gz YHRLAFIGFFICFV-BZUAXINKSA-N 2 1 266.429 2.395 20 0 CEADMP C[C@]1(C2CC2)COCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903883079 635326642 /nfs/dbraw/zinc/32/66/42/635326642.db2.gz ULFQCWKGDMDMJS-CVGRLMLNSA-N 2 1 278.440 2.408 20 0 CEADMP FC(F)O[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903902897 635339352 /nfs/dbraw/zinc/33/93/52/635339352.db2.gz PFPZGNCCJGPXAI-WVMKXHBISA-N 2 1 274.355 2.221 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000903909251 635343578 /nfs/dbraw/zinc/34/35/78/635343578.db2.gz SHZMNAMMVREZNW-UCHQMPSGSA-N 3 1 279.472 2.322 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000903909251 635343581 /nfs/dbraw/zinc/34/35/81/635343581.db2.gz SHZMNAMMVREZNW-UCHQMPSGSA-N 3 1 279.472 2.322 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000903909251 635343584 /nfs/dbraw/zinc/34/35/84/635343584.db2.gz SHZMNAMMVREZNW-UCHQMPSGSA-N 3 1 279.472 2.322 20 0 CEADMP CCN1CC[C@@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000903909251 635343585 /nfs/dbraw/zinc/34/35/85/635343585.db2.gz SHZMNAMMVREZNW-UCHQMPSGSA-N 2 1 279.472 2.322 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000903909251 635343589 /nfs/dbraw/zinc/34/35/89/635343589.db2.gz SHZMNAMMVREZNW-UCHQMPSGSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@H](O)C[C@@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903909973 635345019 /nfs/dbraw/zinc/34/50/19/635345019.db2.gz YTDZHKLXWBTLRP-IXIBIKRGSA-N 2 1 266.429 2.142 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1ccc2c(c1)CCCN2)CC(F)F ZINC000903918832 635346934 /nfs/dbraw/zinc/34/69/34/635346934.db2.gz JCGUOQDTWPZYCG-GFCCVEGCSA-N 2 1 269.339 2.117 20 0 CEADMP C([C@@H]1CCSC1)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959757 635369253 /nfs/dbraw/zinc/36/92/53/635369253.db2.gz NSFNMOLMBCXKFU-KBPBESRZSA-N 2 1 254.443 2.205 20 0 CEADMP CC[N@H+](CCC(=O)OC)C[C@H]([NH3+])CCC(C)(C)C ZINC000904312051 635560185 /nfs/dbraw/zinc/56/01/85/635560185.db2.gz FFOFCPGRHJHPIZ-GFCCVEGCSA-N 2 1 258.406 2.025 20 0 CEADMP CC[N@@H+](CCC(=O)OC)C[C@H]([NH3+])CCC(C)(C)C ZINC000904312051 635560193 /nfs/dbraw/zinc/56/01/93/635560193.db2.gz FFOFCPGRHJHPIZ-GFCCVEGCSA-N 2 1 258.406 2.025 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@@]2(C)CCC[NH2+]C2)[C@@H](C)C1 ZINC000904322615 635568672 /nfs/dbraw/zinc/56/86/72/635568672.db2.gz FMPZYUPZJPGGIE-JYJNAYRXSA-N 3 1 267.461 2.038 20 0 CEADMP COc1ccccc1[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904323135 635568750 /nfs/dbraw/zinc/56/87/50/635568750.db2.gz NEMPTHOPKNIPFY-MCIONIFRSA-N 2 1 260.381 2.222 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cn1 ZINC000825130962 635575982 /nfs/dbraw/zinc/57/59/82/635575982.db2.gz HPIQCKQCZYOYMS-JKSUJKDBSA-N 2 1 298.390 2.233 20 0 CEADMP C[C@@]1(C[N@H+]2CCc3ccc(O)cc3CC2)CCC[NH2+]C1 ZINC000904335603 635577353 /nfs/dbraw/zinc/57/73/53/635577353.db2.gz GVKBKOUSZULJBL-QGZVFWFLSA-N 2 1 274.408 2.183 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000904350026 635583850 /nfs/dbraw/zinc/58/38/50/635583850.db2.gz GDACTPHLEQKITN-CVEARBPZSA-N 3 1 281.488 2.462 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCC[NH2+]C1 ZINC000904350310 635583906 /nfs/dbraw/zinc/58/39/06/635583906.db2.gz KRBYMYLSYQASSB-ZACQAIPSSA-N 3 1 279.472 2.088 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)CCC[NH2+]C1 ZINC000904374354 635595424 /nfs/dbraw/zinc/59/54/24/635595424.db2.gz QOZPHDGWZFATEI-JYJNAYRXSA-N 2 1 266.429 2.267 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000904364829 635596573 /nfs/dbraw/zinc/59/65/73/635596573.db2.gz RKJQZIQFVKFPGB-MRXNPFEDSA-N 2 1 275.396 2.124 20 0 CEADMP Cc1ccc2nc(CNC[C@]3(C)CCC[NH2+]C3)[nH]c2c1 ZINC000904364787 635596604 /nfs/dbraw/zinc/59/66/04/635596604.db2.gz QVNPQICVXTUKBM-MRXNPFEDSA-N 2 1 272.396 2.351 20 0 CEADMP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000904385234 635607113 /nfs/dbraw/zinc/60/71/13/635607113.db2.gz TVGGXGWATGLZTM-JHJVBQTASA-N 2 1 294.361 2.418 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000904385234 635607118 /nfs/dbraw/zinc/60/71/18/635607118.db2.gz TVGGXGWATGLZTM-JHJVBQTASA-N 2 1 294.361 2.418 20 0 CEADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405978 635612180 /nfs/dbraw/zinc/61/21/80/635612180.db2.gz NDNYAJYSHOUIGT-CYBMUJFWSA-N 2 1 285.391 2.414 20 0 CEADMP CCn1c2ccccc2nc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405136 635612685 /nfs/dbraw/zinc/61/26/85/635612685.db2.gz FIVFAOHEESZSOV-CYBMUJFWSA-N 2 1 272.396 2.227 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406489 635613608 /nfs/dbraw/zinc/61/36/08/635613608.db2.gz WZEZLXZVSUAEPW-HNNXBMFYSA-N 2 1 284.407 2.351 20 0 CEADMP CCn1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c2ccccc21 ZINC000904409409 635615402 /nfs/dbraw/zinc/61/54/02/635615402.db2.gz BIJYMPHDJUIJSX-KGLIPLIRSA-N 2 1 286.423 2.473 20 0 CEADMP CCn1c2ccccc2nc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904410731 635617119 /nfs/dbraw/zinc/61/71/19/635617119.db2.gz GGWFNEBVCCLIMS-UONOGXRCSA-N 2 1 286.423 2.473 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)n21 ZINC000904411658 635619285 /nfs/dbraw/zinc/61/92/85/635619285.db2.gz OZMAJMLNZHOGCS-GXTWGEPZSA-N 2 1 272.396 2.059 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000904411733 635619514 /nfs/dbraw/zinc/61/95/14/635619514.db2.gz XHTHUFOOGBRWTN-ZBFHGGJFSA-N 2 1 290.455 2.343 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1C ZINC000904412266 635620228 /nfs/dbraw/zinc/62/02/28/635620228.db2.gz RCSHOKYUCCCJPQ-ZFWWWQNUSA-N 2 1 262.397 2.420 20 0 CEADMP Cc1csc(C[C@H]2CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000904434048 635628673 /nfs/dbraw/zinc/62/86/73/635628673.db2.gz SWDAQFZIYDUZQM-UKRRQHHQSA-N 2 1 279.453 2.316 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](Cc3nccs3)C2)CC[NH2+]1 ZINC000904469015 635647266 /nfs/dbraw/zinc/64/72/66/635647266.db2.gz HYMNDDOAUHXNDA-MGPQQGTHSA-N 2 1 279.453 2.396 20 0 CEADMP CC[C@@](O)(C[NH2+]C[C@H](C)C[NH+]1CCCCC1)C(F)(F)F ZINC000905054995 635780146 /nfs/dbraw/zinc/78/01/46/635780146.db2.gz MIKFRADNTCZRRT-QWHCGFSZSA-N 2 1 296.377 2.401 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905041319 635783518 /nfs/dbraw/zinc/78/35/18/635783518.db2.gz HMTRIDABKPGYPE-KBPBESRZSA-N 2 1 298.500 2.260 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])NC[C@H]2CCCS2)C1 ZINC000905043865 635784706 /nfs/dbraw/zinc/78/47/06/635784706.db2.gz ZWDAMOAKGSHLPE-UONOGXRCSA-N 2 1 298.500 2.116 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000826592479 635790577 /nfs/dbraw/zinc/79/05/77/635790577.db2.gz FTBVBEFJJXPWBS-AWEZNQCLSA-N 2 1 283.460 2.096 20 0 CEADMP C[N@H+](CCC[NH2+]C[C@](C)(O)C(F)F)Cc1ccccc1 ZINC000905024070 635791947 /nfs/dbraw/zinc/79/19/47/635791947.db2.gz IGTJGQIWXRVHHT-HNNXBMFYSA-N 2 1 286.366 2.114 20 0 CEADMP C[N@@H+](CCC[NH2+]C[C@](C)(O)C(F)F)Cc1ccccc1 ZINC000905024070 635791952 /nfs/dbraw/zinc/79/19/52/635791952.db2.gz IGTJGQIWXRVHHT-HNNXBMFYSA-N 2 1 286.366 2.114 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000905056360 635803308 /nfs/dbraw/zinc/80/33/08/635803308.db2.gz YKCKQWMEJPNBDU-PBHICJAKSA-N 2 1 287.407 2.459 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827813642 636431307 /nfs/dbraw/zinc/43/13/07/636431307.db2.gz XFAZHMZGCNQCMR-MNOVXSKESA-N 2 1 265.228 2.454 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000827813642 636431314 /nfs/dbraw/zinc/43/13/14/636431314.db2.gz XFAZHMZGCNQCMR-MNOVXSKESA-N 2 1 265.228 2.454 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000906509202 636760629 /nfs/dbraw/zinc/76/06/29/636760629.db2.gz AHFBCUPCFWQADQ-UHFFFAOYSA-N 2 1 262.250 2.424 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC1CC([NH3+])C1 ZINC000906511211 636761800 /nfs/dbraw/zinc/76/18/00/636761800.db2.gz YRDABZFTNWJHSP-UHFFFAOYSA-N 2 1 275.440 2.224 20 0 CEADMP Cn1cc(C[NH2+]C2CC([NH3+])C2)c(C2CCCCC2)n1 ZINC000906511197 636761978 /nfs/dbraw/zinc/76/19/78/636761978.db2.gz XPTCHZUMPHIFJV-UHFFFAOYSA-N 2 1 262.401 2.047 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000829226857 636806706 /nfs/dbraw/zinc/80/67/06/636806706.db2.gz XCIOMNPGOXBDRJ-DZGCQCFKSA-N 2 1 295.471 2.131 20 0 CEADMP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000907657197 637082231 /nfs/dbraw/zinc/08/22/31/637082231.db2.gz DTAFJQKNNZAYBB-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H](C(=O)N1CCC[N@@H+](CC)C[C@@H]1C)[NH+](CC)CC ZINC000910281700 637975483 /nfs/dbraw/zinc/97/54/83/637975483.db2.gz LMPCEYNYMCAKDL-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000911511867 638310238 /nfs/dbraw/zinc/31/02/38/638310238.db2.gz LVNPPQLJJVLANU-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)[C@@H]1CC[NH+](C)C1 ZINC000911511867 638310246 /nfs/dbraw/zinc/31/02/46/638310246.db2.gz LVNPPQLJJVLANU-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)[C@@H]1CC[NH+](C)C1 ZINC000911511867 638310259 /nfs/dbraw/zinc/31/02/59/638310259.db2.gz LVNPPQLJJVLANU-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000912651150 638754784 /nfs/dbraw/zinc/75/47/84/638754784.db2.gz SIOGNFXUQRQYMD-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000912804809 639021401 /nfs/dbraw/zinc/02/14/01/639021401.db2.gz FCPAYQDBKZGWOY-GOEBONIOSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(CN3C(=O)C(C)(C)C3(C)C)CC[C@H]21 ZINC000164776030 639394900 /nfs/dbraw/zinc/39/49/00/639394900.db2.gz KTOUDDSQSINFKR-ZIAGYGMSSA-N 2 1 293.455 2.007 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1COc2ccccc2O1 ZINC000226313973 639535508 /nfs/dbraw/zinc/53/55/08/639535508.db2.gz BZUIRKXQCXNMSN-UONOGXRCSA-N 2 1 276.380 2.030 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)n(C)n1 ZINC000840810039 639548991 /nfs/dbraw/zinc/54/89/91/639548991.db2.gz NSFYUESVHHRLDB-UONOGXRCSA-N 2 1 264.417 2.111 20 0 CEADMP c1cnc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000226813367 639565290 /nfs/dbraw/zinc/56/52/90/639565290.db2.gz NERKHOCKICJXHT-IUODEOHRSA-N 2 1 257.381 2.143 20 0 CEADMP c1cnc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000226813367 639565293 /nfs/dbraw/zinc/56/52/93/639565293.db2.gz NERKHOCKICJXHT-IUODEOHRSA-N 2 1 257.381 2.143 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2Cl)CC[N@@H+]1C ZINC000226876570 639567767 /nfs/dbraw/zinc/56/77/67/639567767.db2.gz IPGUOBBHRRVKNE-TYNCELHUSA-N 2 1 282.815 2.446 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2Cl)CC[N@H+]1C ZINC000226876570 639567773 /nfs/dbraw/zinc/56/77/73/639567773.db2.gz IPGUOBBHRRVKNE-TYNCELHUSA-N 2 1 282.815 2.446 20 0 CEADMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)nn1 ZINC000840912062 639582437 /nfs/dbraw/zinc/58/24/37/639582437.db2.gz ZZOBEODXGQFEOG-UHFFFAOYSA-N 2 1 276.428 2.337 20 0 CEADMP CC(C)[NH+]1CCC(NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841031884 639624206 /nfs/dbraw/zinc/62/42/06/639624206.db2.gz AEJSBCLXAJFCFC-UHFFFAOYSA-N 2 1 275.440 2.150 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cnc1Cl ZINC000841061428 639637754 /nfs/dbraw/zinc/63/77/54/639637754.db2.gz IWJJWAFPKPXQQL-JQWIXIFHSA-N 2 1 253.777 2.274 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000841089195 639652973 /nfs/dbraw/zinc/65/29/73/639652973.db2.gz IRGACMDPPMXUTQ-LLVKDONJSA-N 2 1 251.399 2.216 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229261599 639688475 /nfs/dbraw/zinc/68/84/75/639688475.db2.gz HKNGQKLCNYULMF-KBPBESRZSA-N 2 1 252.402 2.149 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)C1CCC([NH3+])CC1 ZINC000841913756 639905477 /nfs/dbraw/zinc/90/54/77/639905477.db2.gz PWLJFOMBOYYFPX-WLYUNCDWSA-N 2 1 298.475 2.018 20 0 CEADMP COC[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(C)C ZINC000929695985 640020761 /nfs/dbraw/zinc/02/07/61/640020761.db2.gz JFYJVCGCXLCUTH-HOTGVXAUSA-N 2 1 268.445 2.323 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000842474864 640067975 /nfs/dbraw/zinc/06/79/75/640067975.db2.gz ZQOILIDRSQQYAX-JKSUJKDBSA-N 3 1 267.461 2.360 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000842471826 640071312 /nfs/dbraw/zinc/07/13/12/640071312.db2.gz BSYZUPNTRZWJKL-RYUDHWBXSA-N 2 1 282.350 2.283 20 0 CEADMP Cc1ccc(OCC[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000842475545 640075947 /nfs/dbraw/zinc/07/59/47/640075947.db2.gz SQVVMPASFJALQG-AWEZNQCLSA-N 2 1 250.386 2.337 20 0 CEADMP CCc1ncc(C[N@@H+](C)C2CCC([NH3+])CC2)s1 ZINC000843055703 640258238 /nfs/dbraw/zinc/25/82/38/640258238.db2.gz LFLADSBKQTUKSH-UHFFFAOYSA-N 2 1 253.415 2.407 20 0 CEADMP CCCCOC(=O)[C@@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843385875 640412838 /nfs/dbraw/zinc/41/28/38/640412838.db2.gz ZIHSQOUNJAVLRR-HIFRSBDPSA-N 2 1 282.428 2.040 20 0 CEADMP CCCCOC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843387020 640413899 /nfs/dbraw/zinc/41/38/99/640413899.db2.gz PUUNTWCTCYWANM-LSDHHAIUSA-N 2 1 282.428 2.041 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000844203020 640631258 /nfs/dbraw/zinc/63/12/58/640631258.db2.gz YRDYKMBTCUNANF-PMPSAXMXSA-N 2 1 297.487 2.330 20 0 CEADMP CC[N@H+](CCc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000917008144 640837050 /nfs/dbraw/zinc/83/70/50/640837050.db2.gz MYOJFNIHKDZNJM-KRWDZBQOSA-N 2 1 276.424 2.008 20 0 CEADMP CC[N@@H+](CCc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000917008144 640837052 /nfs/dbraw/zinc/83/70/52/640837052.db2.gz MYOJFNIHKDZNJM-KRWDZBQOSA-N 2 1 276.424 2.008 20 0 CEADMP C[C@@H]1CCCN(Cc2ncc(C[NH+](C)C)s2)[C@@H]1CC[NH3+] ZINC000844902389 640860272 /nfs/dbraw/zinc/86/02/72/640860272.db2.gz QKZAZCXDBWJCFS-TZMCWYRMSA-N 2 1 296.484 2.154 20 0 CEADMP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925474936 641100100 /nfs/dbraw/zinc/10/01/00/641100100.db2.gz SMRFHVGQMRPHLA-CJNGLKHVSA-N 2 1 295.471 2.144 20 0 CEADMP COc1cccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)c1OC ZINC000925481614 641185574 /nfs/dbraw/zinc/18/55/74/641185574.db2.gz RCUUZRSTSKTEII-HNNXBMFYSA-N 2 1 290.407 2.121 20 0 CEADMP CC(C)[C@@H](C(=O)OCC[C@H]1CC[N@@H+](C)C1)[NH+]1CCCCC1 ZINC000847821439 641790450 /nfs/dbraw/zinc/79/04/50/641790450.db2.gz GIXXSIUGDODPFQ-CVEARBPZSA-N 2 1 296.455 2.382 20 0 CEADMP O=c1[nH]c2cccc(C[NH2+]CCC[NH+]3CCCCC3)c2o1 ZINC000921509054 642040483 /nfs/dbraw/zinc/04/04/83/642040483.db2.gz PTHMAMYQJPDXNF-UHFFFAOYSA-N 2 1 289.379 2.499 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CCCCCC[NH3+] ZINC000877437592 650721764 /nfs/dbraw/zinc/72/17/64/650721764.db2.gz MUYCDOLGZXGPDY-CQSZACIVSA-N 2 1 294.443 2.374 20 0 CEADMP CNC(=[NH2+])NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989181 642211052 /nfs/dbraw/zinc/21/10/52/642211052.db2.gz CZSZYNSVOAMXBG-DZGCQCFKSA-N 2 1 274.412 2.031 20 0 CEADMP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H](C)[NH+](C)C ZINC000848996679 642216809 /nfs/dbraw/zinc/21/68/09/642216809.db2.gz PKNQYYYKZZMCAS-QWHCGFSZSA-N 2 1 256.438 2.265 20 0 CEADMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000848997578 642216861 /nfs/dbraw/zinc/21/68/61/642216861.db2.gz RGFQARXTJGYZKK-CYBMUJFWSA-N 2 1 268.449 2.409 20 0 CEADMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000848997578 642216862 /nfs/dbraw/zinc/21/68/62/642216862.db2.gz RGFQARXTJGYZKK-CYBMUJFWSA-N 2 1 268.449 2.409 20 0 CEADMP C[C@H](C[NH2+]Cc1cnn(C2CCC2)c1)C[NH+]1CCCC1 ZINC000921551529 642231897 /nfs/dbraw/zinc/23/18/97/642231897.db2.gz DQYZGNCELLSFLR-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C1CC1 ZINC000921557450 642240286 /nfs/dbraw/zinc/24/02/86/642240286.db2.gz KOOUDEJBZYKHKU-QKPAOTATSA-N 2 1 266.429 2.121 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921583596 642250888 /nfs/dbraw/zinc/25/08/88/642250888.db2.gz XVKUWXKTNWFUKZ-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921583596 642250891 /nfs/dbraw/zinc/25/08/91/642250891.db2.gz XVKUWXKTNWFUKZ-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP CC(C)[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997771371 642322504 /nfs/dbraw/zinc/32/25/04/642322504.db2.gz GUMOSQMNDPRWHK-INIZCTEOSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997822906 642325436 /nfs/dbraw/zinc/32/54/36/642325436.db2.gz HMVHMSLNWRAVCE-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997951503 642346368 /nfs/dbraw/zinc/34/63/68/642346368.db2.gz YFLDXEZQKCHLEF-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997951503 642346376 /nfs/dbraw/zinc/34/63/76/642346376.db2.gz YFLDXEZQKCHLEF-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000998198912 642373019 /nfs/dbraw/zinc/37/30/19/642373019.db2.gz OLWDELHJLQYDIO-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000998198912 642373025 /nfs/dbraw/zinc/37/30/25/642373025.db2.gz OLWDELHJLQYDIO-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000998198912 642373029 /nfs/dbraw/zinc/37/30/29/642373029.db2.gz OLWDELHJLQYDIO-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999290271 642477381 /nfs/dbraw/zinc/47/73/81/642477381.db2.gz KLLBTYOMRUUBSF-QQFBHYJXSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999580744 642499557 /nfs/dbraw/zinc/49/95/57/642499557.db2.gz OGVFHDTTZBQDHA-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP COc1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000850118841 642585543 /nfs/dbraw/zinc/58/55/43/642585543.db2.gz KMSCQXJOLZAZLU-AWEZNQCLSA-N 2 1 277.412 2.300 20 0 CEADMP COc1cncc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000850118841 642585548 /nfs/dbraw/zinc/58/55/48/642585548.db2.gz KMSCQXJOLZAZLU-AWEZNQCLSA-N 2 1 277.412 2.300 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925486834 642619062 /nfs/dbraw/zinc/61/90/62/642619062.db2.gz KGGBVTGWOOCXAG-ILXRZTDVSA-N 2 1 265.445 2.110 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccoc2)s1 ZINC000850376768 642689404 /nfs/dbraw/zinc/68/94/04/642689404.db2.gz LWCOUYQKIKOVJC-UHFFFAOYSA-N 2 1 265.382 2.130 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2COC3(CCC3)C2)[C@@H](C)C1 ZINC000850439636 642713837 /nfs/dbraw/zinc/71/38/37/642713837.db2.gz QHIPZIKXYPUOAN-MJBXVCDLSA-N 2 1 252.402 2.018 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](O)c3ccccc32)CC1 ZINC000850529393 642743061 /nfs/dbraw/zinc/74/30/61/642743061.db2.gz PZWOEFCYMUFOEH-CVEARBPZSA-N 2 1 260.381 2.239 20 0 CEADMP c1cn2c([nH+]1)C[C@H](C[NH2+]Cc1cnn(C3CCC3)c1)CC2 ZINC000922063411 642861383 /nfs/dbraw/zinc/86/13/83/642861383.db2.gz JEDGADNRIOXGMS-CYBMUJFWSA-N 2 1 285.395 2.157 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000922180697 642941129 /nfs/dbraw/zinc/94/11/29/642941129.db2.gz GANJGMIEAHDVSG-LBPRGKRZSA-N 2 1 289.379 2.355 20 0 CEADMP CS[C@@H]1CCC[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000922214909 642960992 /nfs/dbraw/zinc/96/09/92/642960992.db2.gz WAGJKHACVXREMY-ZIAGYGMSSA-N 2 1 286.485 2.097 20 0 CEADMP O=C1CC[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)O1 ZINC000851750978 643146186 /nfs/dbraw/zinc/14/61/86/643146186.db2.gz NMARVQZNNUKOKO-CVEARBPZSA-N 2 1 294.439 2.280 20 0 CEADMP O=C1CC[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)O1 ZINC000851750978 643146189 /nfs/dbraw/zinc/14/61/89/643146189.db2.gz NMARVQZNNUKOKO-CVEARBPZSA-N 2 1 294.439 2.280 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCc2ccccc2C1 ZINC000851774658 643155271 /nfs/dbraw/zinc/15/52/71/643155271.db2.gz ZGQFKTZELOREDR-MSOLQXFVSA-N 2 1 290.451 2.177 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000851774658 643155274 /nfs/dbraw/zinc/15/52/74/643155274.db2.gz ZGQFKTZELOREDR-MSOLQXFVSA-N 2 1 290.451 2.177 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000851774658 643155279 /nfs/dbraw/zinc/15/52/79/643155279.db2.gz ZGQFKTZELOREDR-MSOLQXFVSA-N 2 1 290.451 2.177 20 0 CEADMP CC1(C)OC[C@@H](CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)O1 ZINC000851783418 643160519 /nfs/dbraw/zinc/16/05/19/643160519.db2.gz BKDKCDNTDJQMQQ-JKSUJKDBSA-N 2 1 296.455 2.336 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2COC(C)(C)O2)[C@H](C)C1 ZINC000851846553 643189749 /nfs/dbraw/zinc/18/97/49/643189749.db2.gz AZHGKFKDSPTDGA-KFWWJZLASA-N 2 1 284.444 2.190 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2COC(C)(C)O2)[C@H](C)C1 ZINC000851846553 643189755 /nfs/dbraw/zinc/18/97/55/643189755.db2.gz AZHGKFKDSPTDGA-KFWWJZLASA-N 2 1 284.444 2.190 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2COC(C)(C)O2)[C@H](C)C1 ZINC000851846553 643189779 /nfs/dbraw/zinc/18/97/79/643189779.db2.gz AZHGKFKDSPTDGA-KFWWJZLASA-N 2 1 284.444 2.190 20 0 CEADMP CCOc1cccc(C[NH2+]C[C@H](CN(C)C)OCC)c1 ZINC000922755881 643247021 /nfs/dbraw/zinc/24/70/21/643247021.db2.gz BODBAMTVTJMQIT-MRXNPFEDSA-N 2 1 280.412 2.142 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)C[NH+](C)C ZINC000922758137 643247512 /nfs/dbraw/zinc/24/75/12/643247512.db2.gz RMMYOWVROOMZGP-GBJTYRQASA-N 2 1 256.434 2.367 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1(O)CCCCC1)C2 ZINC000852108971 643311123 /nfs/dbraw/zinc/31/11/23/643311123.db2.gz RJJXXADFLSXPKM-OAHLLOKOSA-N 2 1 266.429 2.099 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1(O)CCCCC1)C2 ZINC000852108971 643311128 /nfs/dbraw/zinc/31/11/28/643311128.db2.gz RJJXXADFLSXPKM-OAHLLOKOSA-N 2 1 266.429 2.099 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1(O)CCCCC1)C2 ZINC000852108971 643311133 /nfs/dbraw/zinc/31/11/33/643311133.db2.gz RJJXXADFLSXPKM-OAHLLOKOSA-N 2 1 266.429 2.099 20 0 CEADMP CC(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001005586987 643422030 /nfs/dbraw/zinc/42/20/30/643422030.db2.gz BEMHDTHEWKBVKH-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP COCC[N@H+](Cc1ccoc1)CC1CC[NH+](C)CC1 ZINC000877665452 650840428 /nfs/dbraw/zinc/84/04/28/650840428.db2.gz WIXSUCZVCRNTTH-UHFFFAOYSA-N 2 1 266.385 2.070 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCO[C@@H](C)C1 ZINC000877664812 650840626 /nfs/dbraw/zinc/84/06/26/650840626.db2.gz XVTWLYHBBOZVMN-DOTOQJQBSA-N 2 1 298.471 2.092 20 0 CEADMP COCC[N@H+](Cc1oc(C)nc1C)CC1CC[NH+](C)CC1 ZINC000877664451 650840645 /nfs/dbraw/zinc/84/06/45/650840645.db2.gz PCXOIEMXERZXLB-UHFFFAOYSA-N 2 1 295.427 2.082 20 0 CEADMP C[NH+]1CCC([NH2+]CC[C@@H]2OCCc3ccccc32)CC1 ZINC000922964269 643483984 /nfs/dbraw/zinc/48/39/84/643483984.db2.gz RBVQYYMPCGZUHG-KRWDZBQOSA-N 2 1 274.408 2.374 20 0 CEADMP COC(=O)[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C[C@@H]1C ZINC000852760915 643541750 /nfs/dbraw/zinc/54/17/50/643541750.db2.gz OJQLZJCJHAOXJX-UONOGXRCSA-N 2 1 270.417 2.027 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC1SCCS1 ZINC000853023199 643624549 /nfs/dbraw/zinc/62/45/49/643624549.db2.gz PMEGTKJQGGNRPJ-WDEREUQCSA-N 2 1 260.472 2.384 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC1SCCS1 ZINC000853023199 643624552 /nfs/dbraw/zinc/62/45/52/643624552.db2.gz PMEGTKJQGGNRPJ-WDEREUQCSA-N 2 1 260.472 2.384 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923282648 643638414 /nfs/dbraw/zinc/63/84/14/643638414.db2.gz XRQUDCHGZIYCFF-RNCFNFMXSA-N 2 1 289.206 2.307 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923282648 643638416 /nfs/dbraw/zinc/63/84/16/643638416.db2.gz XRQUDCHGZIYCFF-RNCFNFMXSA-N 2 1 289.206 2.307 20 0 CEADMP c1ccc(C[C@H]2CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923300109 643645479 /nfs/dbraw/zinc/64/54/79/643645479.db2.gz ACDMIUSRVAOHFO-IAGOWNOFSA-N 2 1 286.419 2.072 20 0 CEADMP c1ccc(C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C2CC2)cc1 ZINC000923301467 643649219 /nfs/dbraw/zinc/64/92/19/643649219.db2.gz TYFMMDXYGINUOI-INIZCTEOSA-N 2 1 272.392 2.030 20 0 CEADMP CC(C)[N@H+](Cc1cccc(F)c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303308 643650174 /nfs/dbraw/zinc/65/01/74/643650174.db2.gz KPCYMKHOVWLVOV-INIZCTEOSA-N 2 1 292.398 2.415 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@H]2CCCC[C@H]12 ZINC000923304962 643651712 /nfs/dbraw/zinc/65/17/12/643651712.db2.gz DHGZINPQOZBWQJ-QKPAOTATSA-N 2 1 278.440 2.266 20 0 CEADMP CC[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1c1ccccc1 ZINC000923314439 643653489 /nfs/dbraw/zinc/65/34/89/643653489.db2.gz HNIQWIZKFHKKPW-JFMONLCZSA-N 2 1 288.435 2.353 20 0 CEADMP C(C[NH2+]C1CC1)C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000923318307 643656241 /nfs/dbraw/zinc/65/62/41/643656241.db2.gz ZBXYZXLQJXKFJR-KGLIPLIRSA-N 2 1 254.443 2.489 20 0 CEADMP C(C[NH2+]C1CC1)C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000923318307 643656244 /nfs/dbraw/zinc/65/62/44/643656244.db2.gz ZBXYZXLQJXKFJR-KGLIPLIRSA-N 2 1 254.443 2.489 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccccc1 ZINC000923329438 643660783 /nfs/dbraw/zinc/66/07/83/643660783.db2.gz IXSKCXNBBHEZOR-WTXIUTQJSA-N 2 1 260.381 2.064 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](O)c1ccc(F)cc1F ZINC000923329983 643661487 /nfs/dbraw/zinc/66/14/87/643661487.db2.gz UAGGUMBJLQBQLZ-IAYQEVDDSA-N 2 1 296.361 2.342 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc(F)cc1F ZINC000923329983 643661489 /nfs/dbraw/zinc/66/14/89/643661489.db2.gz UAGGUMBJLQBQLZ-IAYQEVDDSA-N 2 1 296.361 2.342 20 0 CEADMP CCCCCC[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853114931 643664097 /nfs/dbraw/zinc/66/40/97/643664097.db2.gz BBCAGJVXENDMQJ-SJORKVTESA-N 2 1 298.471 2.161 20 0 CEADMP C[N@H+](C[C@@H](O)c1ccc(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000923333574 643665418 /nfs/dbraw/zinc/66/54/18/643665418.db2.gz AZYCENMPEGUFSX-IUODEOHRSA-N 2 1 284.350 2.072 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000923333574 643665422 /nfs/dbraw/zinc/66/54/22/643665422.db2.gz AZYCENMPEGUFSX-IUODEOHRSA-N 2 1 284.350 2.072 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000923333115 643665493 /nfs/dbraw/zinc/66/54/93/643665493.db2.gz UGAQYKAVKUWBSM-BHDSKKPTSA-N 2 1 286.778 2.182 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000923333115 643665497 /nfs/dbraw/zinc/66/54/97/643665497.db2.gz UGAQYKAVKUWBSM-BHDSKKPTSA-N 2 1 286.778 2.182 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3F)C[C@H]21 ZINC000923334574 643666735 /nfs/dbraw/zinc/66/67/35/643666735.db2.gz WOHYMWIUPNVMEB-YEHMFOAPSA-N 2 1 296.361 2.057 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000923332011 643671803 /nfs/dbraw/zinc/67/18/03/643671803.db2.gz KPRIGWJSYCSLEB-LUKYLMHMSA-N 2 1 274.408 2.088 20 0 CEADMP O[C@H](CCc1ccccc1)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923365545 643680642 /nfs/dbraw/zinc/68/06/42/643680642.db2.gz FVGGREKDFXGPHV-QZTJIDSGSA-N 2 1 288.435 2.056 20 0 CEADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923373580 643683986 /nfs/dbraw/zinc/68/39/86/643683986.db2.gz PSPLEOATWLZMDP-FFHGMXDLSA-N 2 1 295.471 2.142 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@H](O)Cc1ccccc1)CC[NH2+]CC2 ZINC000923382586 643688218 /nfs/dbraw/zinc/68/82/18/643688218.db2.gz DEVDOLOSOGONNV-DOTOQJQBSA-N 2 1 288.435 2.054 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000923386130 643691661 /nfs/dbraw/zinc/69/16/61/643691661.db2.gz FFYHNLBAAZDFDG-ZWKOTPCHSA-N 2 1 288.435 2.432 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000923392526 643691694 /nfs/dbraw/zinc/69/16/94/643691694.db2.gz JSUDTJCQUCEZAD-NXOAAHMSSA-N 2 1 298.471 2.144 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H](O)CCc1ccccc1 ZINC000923415049 643701776 /nfs/dbraw/zinc/70/17/76/643701776.db2.gz OJOLLOBMLGYGFW-INIZCTEOSA-N 2 1 276.424 2.054 20 0 CEADMP C[C@@H]1CC[C@@H](CN)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000923424119 643704165 /nfs/dbraw/zinc/70/41/65/643704165.db2.gz OCRCQSHQQPKAQJ-HJQPHTCJSA-N 2 1 279.472 2.355 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH3+])N(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000923424119 643704169 /nfs/dbraw/zinc/70/41/69/643704169.db2.gz OCRCQSHQQPKAQJ-HJQPHTCJSA-N 2 1 279.472 2.355 20 0 CEADMP CC(C)(C)c1cc2n(n1)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000923439215 643716474 /nfs/dbraw/zinc/71/64/74/643716474.db2.gz GYSODTLJHWRZMQ-AWEZNQCLSA-N 2 1 290.455 2.386 20 0 CEADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487706 643730690 /nfs/dbraw/zinc/73/06/90/643730690.db2.gz GYRCPGBNLPDZTN-NWDGAFQWSA-N 2 1 286.379 2.067 20 0 CEADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495620 643734297 /nfs/dbraw/zinc/73/42/97/643734297.db2.gz CZTVLBCCLWVBJB-KFWWJZLASA-N 2 1 295.471 2.083 20 0 CEADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)cc1F ZINC000923488140 643735481 /nfs/dbraw/zinc/73/54/81/643735481.db2.gz QFZZVBYTUBOBAG-OLZOCXBDSA-N 2 1 293.386 2.132 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)ccc1C ZINC000923488130 643735491 /nfs/dbraw/zinc/73/54/91/643735491.db2.gz DNZHKUGJIHMFTA-ZFWWWQNUSA-N 2 1 290.407 2.198 20 0 CEADMP CSc1cccc(NC(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000923491352 643736481 /nfs/dbraw/zinc/73/64/81/643736481.db2.gz INIHJVLMGAJXAG-GFCCVEGCSA-N 2 1 293.436 2.018 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)CC[C@H]1C[NH3+] ZINC000923495043 643738239 /nfs/dbraw/zinc/73/82/39/643738239.db2.gz SKGGTNWTSDAQQS-VWYCJHECSA-N 2 1 265.228 2.487 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccncc2Cl)CC[C@H]1C[NH3+] ZINC000923502732 643739536 /nfs/dbraw/zinc/73/95/36/643739536.db2.gz YVSGEKDEQZJULE-MNOVXSKESA-N 2 1 253.777 2.152 20 0 CEADMP Cc1ccc2nc(C[N@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cn2c1 ZINC000923498918 643741327 /nfs/dbraw/zinc/74/13/27/643741327.db2.gz JBSZLLSVEQXRIN-UONOGXRCSA-N 2 1 272.396 2.059 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2ccccc2F)CC[C@@H]1C[NH3+] ZINC000923503496 643745960 /nfs/dbraw/zinc/74/59/60/643745960.db2.gz JJTGCHNHTJXWSH-CHWSQXEVSA-N 2 1 266.360 2.121 20 0 CEADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)O2)cc1 ZINC000923515712 643746930 /nfs/dbraw/zinc/74/69/30/643746930.db2.gz KXOKFIQBWIYRIH-MHORFTMASA-N 2 1 286.419 2.448 20 0 CEADMP OC[C@@H]1CCCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000923529921 643752005 /nfs/dbraw/zinc/75/20/05/643752005.db2.gz DULZCYMNZFBJDS-INIZCTEOSA-N 2 1 274.408 2.069 20 0 CEADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000838889410 644071562 /nfs/dbraw/zinc/07/15/62/644071562.db2.gz FBBCXYTZQXNNQF-INIZCTEOSA-N 2 1 296.361 2.215 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@]3(C)CCCS3)CC[C@@H]21 ZINC000877743158 650889123 /nfs/dbraw/zinc/88/91/23/650889123.db2.gz UIBHOFQTZAUJTI-HZSPNIEDSA-N 2 1 254.443 2.298 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@]3(C)CCCS3)CC[C@@H]21 ZINC000877743158 650889126 /nfs/dbraw/zinc/88/91/26/650889126.db2.gz UIBHOFQTZAUJTI-HZSPNIEDSA-N 2 1 254.443 2.298 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@]3(C)CCCS3)CC[C@@H]21 ZINC000877743158 650889129 /nfs/dbraw/zinc/88/91/29/650889129.db2.gz UIBHOFQTZAUJTI-HZSPNIEDSA-N 2 1 254.443 2.298 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@]3(C)CCCS3)CC[C@@H]21 ZINC000877743158 650889131 /nfs/dbraw/zinc/88/91/31/650889131.db2.gz UIBHOFQTZAUJTI-HZSPNIEDSA-N 2 1 254.443 2.298 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@]3(C)CCCS3)CC[C@H]21 ZINC000877743160 650889180 /nfs/dbraw/zinc/88/91/80/650889180.db2.gz UIBHOFQTZAUJTI-MCIONIFRSA-N 2 1 254.443 2.298 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@]3(C)CCCS3)CC[C@H]21 ZINC000877743160 650889181 /nfs/dbraw/zinc/88/91/81/650889181.db2.gz UIBHOFQTZAUJTI-MCIONIFRSA-N 2 1 254.443 2.298 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@]3(C)CCCS3)CC[C@H]21 ZINC000877743160 650889185 /nfs/dbraw/zinc/88/91/85/650889185.db2.gz UIBHOFQTZAUJTI-MCIONIFRSA-N 2 1 254.443 2.298 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@]3(C)CCCS3)CC[C@H]21 ZINC000877743160 650889187 /nfs/dbraw/zinc/88/91/87/650889187.db2.gz UIBHOFQTZAUJTI-MCIONIFRSA-N 2 1 254.443 2.298 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000886612026 644263758 /nfs/dbraw/zinc/26/37/58/644263758.db2.gz AACPEPPXCSGICY-BFHYXJOUSA-N 2 1 270.417 2.038 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000886612026 644263764 /nfs/dbraw/zinc/26/37/64/644263764.db2.gz AACPEPPXCSGICY-BFHYXJOUSA-N 2 1 270.417 2.038 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C=C1CCCCC1 ZINC000855346043 644312086 /nfs/dbraw/zinc/31/20/86/644312086.db2.gz MKIWULJPXTUHBJ-HNNXBMFYSA-N 2 1 295.471 2.265 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C=C1CCCCC1 ZINC000855346043 644312090 /nfs/dbraw/zinc/31/20/90/644312090.db2.gz MKIWULJPXTUHBJ-HNNXBMFYSA-N 2 1 295.471 2.265 20 0 CEADMP C/C(=C\C(C)(C)C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346748 644312113 /nfs/dbraw/zinc/31/21/13/644312113.db2.gz KYRQIXCXJWXXLX-ZQHYZAEZSA-N 2 1 297.487 2.367 20 0 CEADMP C/C(=C\C(C)(C)C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346748 644312114 /nfs/dbraw/zinc/31/21/14/644312114.db2.gz KYRQIXCXJWXXLX-ZQHYZAEZSA-N 2 1 297.487 2.367 20 0 CEADMP Cc1nccnc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000857041153 644797982 /nfs/dbraw/zinc/79/79/82/644797982.db2.gz IJVGCQJDVUNXLW-UHFFFAOYSA-N 2 1 274.412 2.093 20 0 CEADMP C[C@H](CNc1cc[nH+]c(CO)c1)[N@H+]1CCc2ccccc2C1 ZINC000858342212 645125795 /nfs/dbraw/zinc/12/57/95/645125795.db2.gz RLQYKKMPWHUPDR-CQSZACIVSA-N 2 1 297.402 2.433 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000858490063 645179689 /nfs/dbraw/zinc/17/96/89/645179689.db2.gz AEUDTZMKKHSWJJ-CABCVRRESA-N 2 1 266.429 2.267 20 0 CEADMP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000858507715 645185412 /nfs/dbraw/zinc/18/54/12/645185412.db2.gz KRSZFUBKYWENQC-JJXSEGSLSA-N 2 1 292.423 2.101 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)nc2)CCCO1 ZINC000762482802 645417650 /nfs/dbraw/zinc/41/76/50/645417650.db2.gz MFCJZLLINZJHQG-ZDUSSCGKSA-N 2 1 297.830 2.326 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)nc2)CCCO1 ZINC000762482802 645417652 /nfs/dbraw/zinc/41/76/52/645417652.db2.gz MFCJZLLINZJHQG-ZDUSSCGKSA-N 2 1 297.830 2.326 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccnc(N)c2)cc1 ZINC000859212127 645420388 /nfs/dbraw/zinc/42/03/88/645420388.db2.gz GIJQULSDNBHFND-UHFFFAOYSA-N 2 1 284.407 2.357 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC000763033326 645493056 /nfs/dbraw/zinc/49/30/56/645493056.db2.gz QMVNIEVBWGKKLZ-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878166713 651021920 /nfs/dbraw/zinc/02/19/20/651021920.db2.gz CZZVHBDGRKUMJF-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878166713 651021922 /nfs/dbraw/zinc/02/19/22/651021922.db2.gz CZZVHBDGRKUMJF-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878166713 651021923 /nfs/dbraw/zinc/02/19/23/651021923.db2.gz CZZVHBDGRKUMJF-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP CC[N@@H+](CCC1OCCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997370 645672330 /nfs/dbraw/zinc/67/23/30/645672330.db2.gz RKBLPPHQOYFPAW-UHFFFAOYSA-N 2 1 292.423 2.333 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCN2CCc3ccccc32)CC[N@H+]1C ZINC000765415546 645765913 /nfs/dbraw/zinc/76/59/13/645765913.db2.gz FUSGGAYDXFVVHI-GOEBONIOSA-N 2 1 273.424 2.121 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2OC)[C@H](C)C1 ZINC000765428827 645768072 /nfs/dbraw/zinc/76/80/72/645768072.db2.gz WOFUHAOJMKUBKA-YYIAUSFCSA-N 2 1 298.471 2.281 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1cnc(-c2ccccc2)n1 ZINC000117863738 645960635 /nfs/dbraw/zinc/96/06/35/645960635.db2.gz UYYZAPGNRXMAJY-UHFFFAOYSA-N 2 1 299.422 2.176 20 0 CEADMP CC[N@@H+](CCCNC(=O)N(C)C[C@H](C)[NH3+])C1CCCCC1 ZINC000861648835 646238520 /nfs/dbraw/zinc/23/85/20/646238520.db2.gz XSSLHSMMKMBLJS-AWEZNQCLSA-N 2 1 298.475 2.020 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccc(F)cc2F)CC[N@H+]1C ZINC000772986199 646692970 /nfs/dbraw/zinc/69/29/70/646692970.db2.gz BMSJUDDXAUZVCC-KFNAQCHYSA-N 2 1 298.377 2.245 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000863553137 646754602 /nfs/dbraw/zinc/75/46/02/646754602.db2.gz VNPLCYFOINYZGJ-STQMWFEESA-N 3 1 295.393 2.355 20 0 CEADMP [NH3+]CCCCCCCN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000863553137 646754605 /nfs/dbraw/zinc/75/46/05/646754605.db2.gz VNPLCYFOINYZGJ-STQMWFEESA-N 2 1 295.393 2.355 20 0 CEADMP COCc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000863641992 646775398 /nfs/dbraw/zinc/77/53/98/646775398.db2.gz OIKQZFZDTZLDGI-UHFFFAOYSA-N 2 1 264.369 2.002 20 0 CEADMP Cc1cc([C@](C)(O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)o1 ZINC000774206748 646818824 /nfs/dbraw/zinc/81/88/24/646818824.db2.gz SIRMZIUTVOSHRP-UCMJJCQDSA-N 2 1 292.423 2.319 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](NCc2cccc3c2CC[NH2+]C3)C1 ZINC000864054753 646873345 /nfs/dbraw/zinc/87/33/45/646873345.db2.gz AGYUBLKHECWDQP-INIZCTEOSA-N 2 1 287.451 2.200 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000864054940 646874883 /nfs/dbraw/zinc/87/48/83/646874883.db2.gz DXAKANCCOCBNML-LSDHHAIUSA-N 2 1 273.380 2.005 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000775389404 646948851 /nfs/dbraw/zinc/94/88/51/646948851.db2.gz YFZNJCYPEVXFAD-AAVRWANBSA-N 2 1 286.510 2.297 20 0 CEADMP CCC(CC)NC(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000864451478 647007549 /nfs/dbraw/zinc/00/75/49/647007549.db2.gz HWTFPOWPIWVAGV-LBPRGKRZSA-N 2 1 254.422 2.021 20 0 CEADMP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000864465182 647019687 /nfs/dbraw/zinc/01/96/87/647019687.db2.gz QWSUTLDDQLISIC-VNQPRFMTSA-N 2 1 286.423 2.031 20 0 CEADMP CN(C)c1ccc(F)cc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000865456137 647302143 /nfs/dbraw/zinc/30/21/43/647302143.db2.gz KPHMBZFTBGLIKA-CYBMUJFWSA-N 2 1 279.403 2.323 20 0 CEADMP CN(C)c1ccc(F)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000865456137 647302144 /nfs/dbraw/zinc/30/21/44/647302144.db2.gz KPHMBZFTBGLIKA-CYBMUJFWSA-N 2 1 279.403 2.323 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865522113 647338017 /nfs/dbraw/zinc/33/80/17/647338017.db2.gz KNCCIVCGPOGXFK-UHFFFAOYSA-N 2 1 269.751 2.226 20 0 CEADMP C[C@@H](C[NH2+]Cc1cc(F)ccc1N(C)C)C[NH+](C)C ZINC000865578266 647368580 /nfs/dbraw/zinc/36/85/80/647368580.db2.gz XVQWBLRBTAITFQ-LBPRGKRZSA-N 2 1 267.392 2.179 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000865688350 647423196 /nfs/dbraw/zinc/42/31/96/647423196.db2.gz ANDPUVXKLIOCJG-VIFPVBQESA-N 2 1 282.269 2.146 20 0 CEADMP CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000865775064 647459387 /nfs/dbraw/zinc/45/93/87/647459387.db2.gz PYUGDEBXHSVPTK-BYNSBNAKSA-N 2 1 294.439 2.323 20 0 CEADMP CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000865775066 647459935 /nfs/dbraw/zinc/45/99/35/647459935.db2.gz PYUGDEBXHSVPTK-XQLPTFJDSA-N 2 1 294.439 2.323 20 0 CEADMP FCC[N@@H+]1CCC[C@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865928075 647540244 /nfs/dbraw/zinc/54/02/44/647540244.db2.gz PTCRRBSXXNODLQ-JTQLQIEISA-N 2 1 291.292 2.368 20 0 CEADMP FCC[N@H+]1CCC[C@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865928075 647540252 /nfs/dbraw/zinc/54/02/52/647540252.db2.gz PTCRRBSXXNODLQ-JTQLQIEISA-N 2 1 291.292 2.368 20 0 CEADMP COCCN(CC1CC[NH+](C)CC1)c1cc(C)cc[nH+]1 ZINC000865996698 647567050 /nfs/dbraw/zinc/56/70/50/647567050.db2.gz RIDBEZOBVNWRPU-UHFFFAOYSA-N 2 1 277.412 2.185 20 0 CEADMP C[C@@H]1CC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000783250261 647700889 /nfs/dbraw/zinc/70/08/89/647700889.db2.gz GJAFVAJEJJJQLZ-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC[C@@H]2CCOC2)cn1 ZINC000783598332 647735278 /nfs/dbraw/zinc/73/52/78/647735278.db2.gz YSRBJZKKPFWEQV-CQSZACIVSA-N 2 1 286.379 2.092 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000866524622 647814728 /nfs/dbraw/zinc/81/47/28/647814728.db2.gz IDTZUJGLENGLIV-XBXGTLAGSA-N 2 1 282.428 2.181 20 0 CEADMP CC(C)[C@H]1C[N@@H+](CCCCCCC[NH3+])CCN1C ZINC000866702511 647875020 /nfs/dbraw/zinc/87/50/20/647875020.db2.gz CIRQFNRWLCSAGY-OAHLLOKOSA-N 2 1 255.450 2.168 20 0 CEADMP CC(C)[C@H]1CN(CCCCCCC[NH3+])CC[N@@H+]1C ZINC000866702511 647875025 /nfs/dbraw/zinc/87/50/25/647875025.db2.gz CIRQFNRWLCSAGY-OAHLLOKOSA-N 2 1 255.450 2.168 20 0 CEADMP CC(C)[C@H]1CN(CCCCCCC[NH3+])CC[N@H+]1C ZINC000866702511 647875030 /nfs/dbraw/zinc/87/50/30/647875030.db2.gz CIRQFNRWLCSAGY-OAHLLOKOSA-N 2 1 255.450 2.168 20 0 CEADMP COCCCCC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706047 647877181 /nfs/dbraw/zinc/87/71/81/647877181.db2.gz KPZJQMBHWHXPSO-HNNXBMFYSA-N 2 1 256.434 2.500 20 0 CEADMP COc1ccccc1[C@@H]1CCC[N@@H+](CCOCC[NH3+])CC1 ZINC000866717583 647880386 /nfs/dbraw/zinc/88/03/86/647880386.db2.gz JIWPNNPUZQBYHG-OAHLLOKOSA-N 2 1 292.423 2.240 20 0 CEADMP C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000866717292 647880524 /nfs/dbraw/zinc/88/05/24/647880524.db2.gz AKGLEOSCIGQVEG-OAHLLOKOSA-N 2 1 285.391 2.121 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)C1CCOCC1 ZINC000786157648 647989516 /nfs/dbraw/zinc/98/95/16/647989516.db2.gz SPBCVBNYJNFOQJ-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccnc(Cl)c1 ZINC000788254022 648165962 /nfs/dbraw/zinc/16/59/62/648165962.db2.gz DOFXOYMOQGQDOS-JTQLQIEISA-N 2 1 264.760 2.362 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCCCO)cc1 ZINC000789761194 648339024 /nfs/dbraw/zinc/33/90/24/648339024.db2.gz CEIQPAQXGWLRNN-UHFFFAOYSA-N 2 1 264.413 2.343 20 0 CEADMP C[C@H](C(=O)N1CC[NH+](C)C(C)(C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000871153681 649015457 /nfs/dbraw/zinc/01/54/57/649015457.db2.gz QUUNSBLQKWMWOB-QLFBSQMISA-N 2 1 295.471 2.190 20 0 CEADMP C[C@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000871153681 649015458 /nfs/dbraw/zinc/01/54/58/649015458.db2.gz QUUNSBLQKWMWOB-QLFBSQMISA-N 2 1 295.471 2.190 20 0 CEADMP C[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000871153681 649015461 /nfs/dbraw/zinc/01/54/61/649015461.db2.gz QUUNSBLQKWMWOB-QLFBSQMISA-N 2 1 295.471 2.190 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCOC1 ZINC000872021439 649243489 /nfs/dbraw/zinc/24/34/89/649243489.db2.gz PLFYEVHOHBYARK-DZKIICNBSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(O)ccc1F ZINC000872053456 649256083 /nfs/dbraw/zinc/25/60/83/649256083.db2.gz KOSZPFHTJCRGEA-LLVKDONJSA-N 2 1 264.344 2.444 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC[N@@H+]1C ZINC000872123072 649284143 /nfs/dbraw/zinc/28/41/43/649284143.db2.gz LWSCFCCWHXRAQL-JQWIXIFHSA-N 2 1 275.352 2.106 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC[N@H+]1C ZINC000872123072 649284147 /nfs/dbraw/zinc/28/41/47/649284147.db2.gz LWSCFCCWHXRAQL-JQWIXIFHSA-N 2 1 275.352 2.106 20 0 CEADMP CCC[N@@H+](C[C@H]1CC2(CCC2)CO1)C1CC[NH2+]CC1 ZINC000872141788 649291571 /nfs/dbraw/zinc/29/15/71/649291571.db2.gz SZLVPFOXHLOOOE-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP C([C@@H]1CC2(CCC2)CO1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000872143572 649293062 /nfs/dbraw/zinc/29/30/62/649293062.db2.gz SWOVFEQPCNMBKD-GOEBONIOSA-N 2 1 264.413 2.021 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872144083 649294021 /nfs/dbraw/zinc/29/40/21/649294021.db2.gz BRWGNAXKUYOEPF-JJCQNKCGSA-N 2 1 264.413 2.147 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872144083 649294026 /nfs/dbraw/zinc/29/40/26/649294026.db2.gz BRWGNAXKUYOEPF-JJCQNKCGSA-N 2 1 264.413 2.147 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3CSC[C@@H]3C2)CC[NH2+]1 ZINC000873221408 649596126 /nfs/dbraw/zinc/59/61/26/649596126.db2.gz JLZSNSUCMWNXNE-MQYQWHSLSA-N 2 1 254.443 2.059 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000873229254 649600202 /nfs/dbraw/zinc/60/02/02/649600202.db2.gz QOWXZHJQKXUICT-ILXRZTDVSA-N 2 1 282.428 2.040 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC000873229446 649600338 /nfs/dbraw/zinc/60/03/38/649600338.db2.gz ZAXXQDOYVFJARQ-FUHWJXTLSA-N 2 1 286.419 2.095 20 0 CEADMP CC(C)[NH+]1CCC(CCN[C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000873242487 649605994 /nfs/dbraw/zinc/60/59/94/649605994.db2.gz QGVNBLRJYVDUBK-GOEBONIOSA-N 2 1 267.461 2.227 20 0 CEADMP CC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(OC)c1OC ZINC000873248124 649607927 /nfs/dbraw/zinc/60/79/27/649607927.db2.gz AABDONOUWQDVSU-FZMZJTMJSA-N 2 1 278.396 2.352 20 0 CEADMP C[C@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1c[nH+]ccc1N ZINC000873265027 649617273 /nfs/dbraw/zinc/61/72/73/649617273.db2.gz GFXGGYRREXDZMM-SJCJKPOMSA-N 2 1 282.391 2.331 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)[C@@H]1CCC[NH2+]1 ZINC000873281707 649623877 /nfs/dbraw/zinc/62/38/77/649623877.db2.gz PCXOHHOFVHRWQX-QTVXIADOSA-N 2 1 252.402 2.064 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000878746665 651178361 /nfs/dbraw/zinc/17/83/61/651178361.db2.gz BQMVAWWJXZNRDM-FZNQNYSPSA-N 2 1 275.396 2.019 20 0 CEADMP COCC[N@H+](CC1=CCCC1)CC1CC[NH+](C)CC1 ZINC000879125362 651247340 /nfs/dbraw/zinc/24/73/40/651247340.db2.gz AEQNUYZJOZZKDS-UHFFFAOYSA-N 2 1 266.429 2.387 20 0 CEADMP Cc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879568099 651323596 /nfs/dbraw/zinc/32/35/96/651323596.db2.gz YJNPZTFCOXEEEV-JKSUJKDBSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879568099 651323601 /nfs/dbraw/zinc/32/36/01/651323601.db2.gz YJNPZTFCOXEEEV-JKSUJKDBSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879568099 651323602 /nfs/dbraw/zinc/32/36/02/651323602.db2.gz YJNPZTFCOXEEEV-JKSUJKDBSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879568099 651323604 /nfs/dbraw/zinc/32/36/04/651323604.db2.gz YJNPZTFCOXEEEV-JKSUJKDBSA-N 2 1 274.408 2.400 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578587 651325117 /nfs/dbraw/zinc/32/51/17/651325117.db2.gz FOLOYNMSNFQDDI-BZZMCLGOSA-N 2 1 288.435 2.177 20 0 CEADMP C[N@H+]1CC[C@H]2CN(Cc3cccc4nsnc43)CC[C@@H]21 ZINC000879577582 651325145 /nfs/dbraw/zinc/32/51/45/651325145.db2.gz YQRAMUDEMOZYBF-FZMZJTMJSA-N 2 1 288.420 2.217 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000879579581 651325771 /nfs/dbraw/zinc/32/57/71/651325771.db2.gz ADHPXMMIDNRKTF-FVQBIDKESA-N 2 1 294.826 2.399 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000879579581 651325773 /nfs/dbraw/zinc/32/57/73/651325773.db2.gz ADHPXMMIDNRKTF-FVQBIDKESA-N 2 1 294.826 2.399 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000879579581 651325775 /nfs/dbraw/zinc/32/57/75/651325775.db2.gz ADHPXMMIDNRKTF-FVQBIDKESA-N 2 1 294.826 2.399 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000879579581 651325777 /nfs/dbraw/zinc/32/57/77/651325777.db2.gz ADHPXMMIDNRKTF-FVQBIDKESA-N 2 1 294.826 2.399 20 0 CEADMP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579301 651326132 /nfs/dbraw/zinc/32/61/32/651326132.db2.gz ZDYDPCZZUQMNRR-GDBMZVCRSA-N 2 1 298.434 2.142 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579301 651326134 /nfs/dbraw/zinc/32/61/34/651326134.db2.gz ZDYDPCZZUQMNRR-GDBMZVCRSA-N 2 1 298.434 2.142 20 0 CEADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579301 651326135 /nfs/dbraw/zinc/32/61/35/651326135.db2.gz ZDYDPCZZUQMNRR-GDBMZVCRSA-N 2 1 298.434 2.142 20 0 CEADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579301 651326137 /nfs/dbraw/zinc/32/61/37/651326137.db2.gz ZDYDPCZZUQMNRR-GDBMZVCRSA-N 2 1 298.434 2.142 20 0 CEADMP CC(C)C[N@@H+](CCCCCO)CC1CC[NH+](C)CC1 ZINC000879702508 651341463 /nfs/dbraw/zinc/34/14/63/651341463.db2.gz NNIPQXHZZZAFKW-UHFFFAOYSA-N 2 1 270.461 2.449 20 0 CEADMP CCOCC[C@H](O)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879951745 651364226 /nfs/dbraw/zinc/36/42/26/651364226.db2.gz PICUNBLXKCWHTK-INIZCTEOSA-N 2 1 298.471 2.114 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000880042573 651378322 /nfs/dbraw/zinc/37/83/22/651378322.db2.gz DOLIPZJTZCJFSX-CQSZACIVSA-N 2 1 293.411 2.018 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000880042573 651378324 /nfs/dbraw/zinc/37/83/24/651378324.db2.gz DOLIPZJTZCJFSX-CQSZACIVSA-N 2 1 293.411 2.018 20 0 CEADMP C(C1CCCC1)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880205951 651401154 /nfs/dbraw/zinc/40/11/54/651401154.db2.gz WQZIJRDNNRMZIM-INIZCTEOSA-N 2 1 266.429 2.410 20 0 CEADMP C(C1CCCC1)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880205951 651401156 /nfs/dbraw/zinc/40/11/56/651401156.db2.gz WQZIJRDNNRMZIM-INIZCTEOSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258103 651411167 /nfs/dbraw/zinc/41/11/67/651411167.db2.gz CFEVDSNQOHVMRU-SOUVJXGZSA-N 2 1 275.396 2.017 20 0 CEADMP CO[C@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)C1CCC1 ZINC000880259071 651411525 /nfs/dbraw/zinc/41/15/25/651411525.db2.gz MFXOALFNPSORJL-RHSMWYFYSA-N 2 1 289.423 2.407 20 0 CEADMP CC(C)CC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473793 651447183 /nfs/dbraw/zinc/44/71/83/651447183.db2.gz ONPZFMVYAKLUPR-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC[C@@H]1CCOC1=O ZINC000880517382 651454211 /nfs/dbraw/zinc/45/42/11/651454211.db2.gz PMTDCNRLEGREBA-OAHLLOKOSA-N 2 1 282.428 2.138 20 0 CEADMP CON(C)CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000883172154 652388173 /nfs/dbraw/zinc/38/81/73/652388173.db2.gz XTDKZKGXRMKDCP-UHFFFAOYSA-N 2 1 293.455 2.227 20 0 CEADMP C=C/C=C\CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000883268151 652418555 /nfs/dbraw/zinc/41/85/55/652418555.db2.gz DELWNAFZOOZARA-QGZUEGPWSA-N 2 1 264.413 2.352 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C2CCC3(COC3)CC2)CC1(C)C ZINC000883382598 652451105 /nfs/dbraw/zinc/45/11/05/652451105.db2.gz JVGWXYWYVASOFA-AWEZNQCLSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CCCOC(F)(F)F)CC[NH2+]CC2 ZINC000883433952 652468443 /nfs/dbraw/zinc/46/84/43/652468443.db2.gz CILAQKXSVWXFOK-NSHDSACASA-N 2 1 280.334 2.377 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)o1 ZINC000883435644 652468991 /nfs/dbraw/zinc/46/89/91/652468991.db2.gz YMJCSVCRKAMBSC-RBSFLKMASA-N 2 1 293.411 2.152 20 0 CEADMP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(C)cc1 ZINC000883440841 652471420 /nfs/dbraw/zinc/47/14/20/652471420.db2.gz AXANNXPSISWWAS-RRFJBIMHSA-N 2 1 289.423 2.428 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000883447867 652473500 /nfs/dbraw/zinc/47/35/00/652473500.db2.gz NTSYLOWEOFWXKQ-GFCCVEGCSA-N 2 1 280.334 2.029 20 0 CEADMP Cc1cnc(=S)n(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000132421761 652520056 /nfs/dbraw/zinc/52/00/56/652520056.db2.gz ITEYQCFFPKXLGJ-UHFFFAOYSA-N 2 1 280.441 2.152 20 0 CEADMP Cc1cnc(=S)n(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000132421761 652520060 /nfs/dbraw/zinc/52/00/60/652520060.db2.gz ITEYQCFFPKXLGJ-UHFFFAOYSA-N 2 1 280.441 2.152 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCSC(F)(F)F)CC[N@H+]1C ZINC000132462737 652522512 /nfs/dbraw/zinc/52/25/12/652522512.db2.gz FASPBWUSEVUQQV-BDAKNGLRSA-N 2 1 256.337 2.312 20 0 CEADMP CC[NH+](CC)CCCOC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000800171438 652671219 /nfs/dbraw/zinc/67/12/19/652671219.db2.gz JWGMMINZBYFINQ-CQSZACIVSA-N 2 1 270.417 2.136 20 0 CEADMP CC[NH+](CC)CCCOC(=O)[C@H]1CCCC[N@H+]1CC ZINC000800171438 652671223 /nfs/dbraw/zinc/67/12/23/652671223.db2.gz JWGMMINZBYFINQ-CQSZACIVSA-N 2 1 270.417 2.136 20 0 CEADMP Cc1[nH+]ccn1CCCCNC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884225737 652758956 /nfs/dbraw/zinc/75/89/56/652758956.db2.gz BNFCXGVGROACRI-CQSZACIVSA-N 2 1 294.443 2.097 20 0 CEADMP CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135313328 652964796 /nfs/dbraw/zinc/96/47/96/652964796.db2.gz UVYUGVBOSWXPAS-ZIAGYGMSSA-N 2 1 297.443 2.118 20 0 CEADMP CN(C)c1cc[nH+]c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001164773101 721288474 /nfs/dbraw/zinc/28/84/74/721288474.db2.gz NDHJZYQGRNYAQX-UHFFFAOYSA-N 2 1 286.423 2.070 20 0 CEADMP C[C@H]1C[C@@H](O)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994530 805598351 /nfs/dbraw/zinc/59/83/51/805598351.db2.gz HSPQUZHWMYJYEB-JDACHINLSA-N 2 1 278.440 2.237 20 0 CEADMP C[C@H]1C[C@@H](O)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994530 805598358 /nfs/dbraw/zinc/59/83/58/805598358.db2.gz HSPQUZHWMYJYEB-JDACHINLSA-N 2 1 278.440 2.237 20 0 CEADMP C[C@H]1C[C@@H](O)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994530 805598366 /nfs/dbraw/zinc/59/83/66/805598366.db2.gz HSPQUZHWMYJYEB-JDACHINLSA-N 2 1 278.440 2.237 20 0 CEADMP C[C@H]1C[C@H](O)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994531 805598553 /nfs/dbraw/zinc/59/85/53/805598553.db2.gz HSPQUZHWMYJYEB-SNGNKRRRSA-N 2 1 278.440 2.237 20 0 CEADMP C[C@H]1C[C@H](O)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994531 805598559 /nfs/dbraw/zinc/59/85/59/805598559.db2.gz HSPQUZHWMYJYEB-SNGNKRRRSA-N 2 1 278.440 2.237 20 0 CEADMP C[C@H]1C[C@H](O)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994531 805598564 /nfs/dbraw/zinc/59/85/64/805598564.db2.gz HSPQUZHWMYJYEB-SNGNKRRRSA-N 2 1 278.440 2.237 20 0 CEADMP COC[C@H]1CCCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000696560465 805644231 /nfs/dbraw/zinc/64/42/31/805644231.db2.gz PEWCCTHSLRCMDZ-GJZGRUSLSA-N 2 1 254.418 2.125 20 0 CEADMP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001271102728 805740878 /nfs/dbraw/zinc/74/08/78/805740878.db2.gz RVQGGNBELTYHLV-HNNXBMFYSA-N 2 1 297.487 2.367 20 0 CEADMP C[C@]1([NH3+])CC[N@H+](CCc2ccc(Br)cc2)C1 ZINC001204764392 805753416 /nfs/dbraw/zinc/75/34/16/805753416.db2.gz YWLVFHISXOJJII-ZDUSSCGKSA-N 2 1 283.213 2.415 20 0 CEADMP C[C@]1([NH3+])CC[N@@H+](CCc2ccc(Br)cc2)C1 ZINC001204764392 805753423 /nfs/dbraw/zinc/75/34/23/805753423.db2.gz YWLVFHISXOJJII-ZDUSSCGKSA-N 2 1 283.213 2.415 20 0 CEADMP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001271169159 805873075 /nfs/dbraw/zinc/87/30/75/805873075.db2.gz CFJVOXPJYRSRNX-MIVXPEEVSA-N 2 1 295.471 2.121 20 0 CEADMP CC(C)=CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001271904281 806136937 /nfs/dbraw/zinc/13/69/37/806136937.db2.gz ZLOGWCVTTHBMBB-CVEARBPZSA-N 2 1 295.471 2.025 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001168093172 806148484 /nfs/dbraw/zinc/14/84/84/806148484.db2.gz UOPKQQQVZOVUEJ-KHMAMNHCSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001168093172 806148490 /nfs/dbraw/zinc/14/84/90/806148490.db2.gz UOPKQQQVZOVUEJ-KHMAMNHCSA-N 2 1 252.402 2.159 20 0 CEADMP CC(C)[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001088413297 806194263 /nfs/dbraw/zinc/19/42/63/806194263.db2.gz CHWIGSQATZHOEM-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000382737893 806264636 /nfs/dbraw/zinc/26/46/36/806264636.db2.gz KBWLEDBQCRCKNW-NUJGCVRESA-N 2 1 287.451 2.048 20 0 CEADMP C[N@H+]1CCCC[C@@H]1c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)nc1 ZINC001168226569 806422083 /nfs/dbraw/zinc/42/20/83/806422083.db2.gz DWJLWDISFGVWEP-QLFBSQMISA-N 2 1 292.402 2.350 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001168230591 806425064 /nfs/dbraw/zinc/42/50/64/806425064.db2.gz LRJDMFDFTKIVBR-YOEHRIQHSA-N 2 1 288.435 2.484 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088622316 806571076 /nfs/dbraw/zinc/57/10/76/806571076.db2.gz QCILNIZBJQFCKV-OAGGEKHMSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088622316 806571085 /nfs/dbraw/zinc/57/10/85/806571085.db2.gz QCILNIZBJQFCKV-OAGGEKHMSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088622316 806571092 /nfs/dbraw/zinc/57/10/92/806571092.db2.gz QCILNIZBJQFCKV-OAGGEKHMSA-N 2 1 295.471 2.238 20 0 CEADMP CC[N@@H+](CCN1CCCC1)C1CCC([NH+](C)C)CC1 ZINC001168324191 806653572 /nfs/dbraw/zinc/65/35/72/806653572.db2.gz JHSHXXKYWCPCPW-UHFFFAOYSA-N 2 1 267.461 2.277 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H]2c2cnccn2)CC1 ZINC001168324865 806653654 /nfs/dbraw/zinc/65/36/54/806653654.db2.gz YQRAHUOBTUGFSP-ZBCRRDGASA-N 2 1 274.412 2.486 20 0 CEADMP CC(=O)[C@H]1CCCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168327391 806656877 /nfs/dbraw/zinc/65/68/77/806656877.db2.gz MBSKXJLNKHJBRE-YMAMQOFZSA-N 2 1 252.402 2.303 20 0 CEADMP CN(C1CC1)[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168328270 806658304 /nfs/dbraw/zinc/65/83/04/806658304.db2.gz CECGGLRXJOHPMF-BCLQGDPASA-N 2 1 265.445 2.028 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC[C@H]1CCCC[NH+]1C)C2 ZINC001224702952 806905352 /nfs/dbraw/zinc/90/53/52/806905352.db2.gz PPALXGYBWGBCKX-BARDWOONSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](OC[C@H]1CCCC[N@@H+]1C)C2 ZINC001224702952 806905354 /nfs/dbraw/zinc/90/53/54/806905354.db2.gz PPALXGYBWGBCKX-BARDWOONSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](OC[C@H]1CCCC[N@H+]1C)C2 ZINC001224702952 806905356 /nfs/dbraw/zinc/90/53/56/806905356.db2.gz PPALXGYBWGBCKX-BARDWOONSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001208130415 802350679 /nfs/dbraw/zinc/35/06/79/802350679.db2.gz DRRTYFVVIRXZDL-CQSZACIVSA-N 2 1 279.403 2.066 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccccc2F)C1 ZINC000692958232 802385730 /nfs/dbraw/zinc/38/57/30/802385730.db2.gz GGESETDRGYCLBO-CJNGLKHVSA-N 2 1 280.387 2.181 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC001208606269 802388228 /nfs/dbraw/zinc/38/82/28/802388228.db2.gz DRGJVCAJYMLHSV-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC001208606269 802388239 /nfs/dbraw/zinc/38/82/39/802388239.db2.gz DRGJVCAJYMLHSV-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC001208606269 802388247 /nfs/dbraw/zinc/38/82/47/802388247.db2.gz DRGJVCAJYMLHSV-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP CCC(CC)N(CC)c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001167111355 802495953 /nfs/dbraw/zinc/49/59/53/802495953.db2.gz LFKOGOWNBXFRQX-UHFFFAOYSA-N 2 1 291.443 2.419 20 0 CEADMP CC(C)[NH2+]CC1(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001167240102 802598110 /nfs/dbraw/zinc/59/81/10/802598110.db2.gz ADAGUJGIRDPSEM-UHFFFAOYSA-N 2 1 295.471 2.003 20 0 CEADMP CCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001266488537 802627040 /nfs/dbraw/zinc/62/70/40/802627040.db2.gz KZIBRNMPINBXGF-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H]1C[C@H](NCc2cccc3c2OCC3)CC[N@H+]1C ZINC000693128304 802658760 /nfs/dbraw/zinc/65/87/60/802658760.db2.gz SDFNXJRUPVPVRT-SWLSCSKDSA-N 2 1 260.381 2.194 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cccc3c2OCC3)CCN1C ZINC000693128304 802658766 /nfs/dbraw/zinc/65/87/66/802658766.db2.gz SDFNXJRUPVPVRT-SWLSCSKDSA-N 2 1 260.381 2.194 20 0 CEADMP C[C@@H]1CC[N@H+]1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397545682 802662702 /nfs/dbraw/zinc/66/27/02/802662702.db2.gz YFLJZKQUQOBXMR-OAHLLOKOSA-N 2 1 274.408 2.108 20 0 CEADMP Cn1ccc2c1[nH+]ccc2-n1ccc2cc(C[NH3+])cnc21 ZINC001167316121 802678952 /nfs/dbraw/zinc/67/89/52/802678952.db2.gz GCVZUZRTJUWZSL-UHFFFAOYSA-N 2 1 277.331 2.371 20 0 CEADMP C[N@@H+](C[C@@H]1CC[C@H](C(F)(F)F)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000721446165 802782299 /nfs/dbraw/zinc/78/22/99/802782299.db2.gz GESXQDUOMHMCHN-GJHMDTBVSA-N 2 1 292.345 2.311 20 0 CEADMP Clc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccn1 ZINC000386249361 802829385 /nfs/dbraw/zinc/82/93/85/802829385.db2.gz SIKNDSUSOLUPGC-BETUJISGSA-N 2 1 265.788 2.166 20 0 CEADMP CC/C=C\CC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266761264 802885668 /nfs/dbraw/zinc/88/56/68/802885668.db2.gz WWIADTQPGSPIMH-KJPDOMRESA-N 2 1 295.471 2.123 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000723616841 802905381 /nfs/dbraw/zinc/90/53/81/802905381.db2.gz XELULQHXJCFQJW-OWCLPIDISA-N 2 1 264.413 2.043 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000723687665 802925166 /nfs/dbraw/zinc/92/51/66/802925166.db2.gz XQYSPIJICYOEPH-HNNXBMFYSA-N 2 1 270.380 2.043 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000723703639 802927148 /nfs/dbraw/zinc/92/71/48/802927148.db2.gz SFDJFLTUBAVEKE-UWVGGRQHSA-N 2 1 251.201 2.241 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)C[C@H]1CC[NH3+] ZINC000723883237 802962613 /nfs/dbraw/zinc/96/26/13/802962613.db2.gz NMDVIVLFOFLTRR-MXWKQRLJSA-N 2 1 265.228 2.487 20 0 CEADMP COc1ccc(C)cc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723891464 802964640 /nfs/dbraw/zinc/96/46/40/802964640.db2.gz NICMNFMLZQLQMP-ZIAGYGMSSA-N 2 1 262.397 2.420 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H](O)CC(F)(F)F)[C@@H]1CCC[NH3+] ZINC000693488653 802978538 /nfs/dbraw/zinc/97/85/38/802978538.db2.gz RAWLIYZERCNMBH-IJLUTSLNSA-N 2 1 282.350 2.139 20 0 CEADMP CC(C)=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001266973868 803031832 /nfs/dbraw/zinc/03/18/32/803031832.db2.gz APZKZZMGJNWTMO-HOTGVXAUSA-N 2 1 295.471 2.310 20 0 CEADMP [NH3+]CCCCCCC[N@@H+]1CCC[C@H](N2CCCC2)C1 ZINC000382672304 803044904 /nfs/dbraw/zinc/04/49/04/803044904.db2.gz XKIFQOFHCQKOJW-INIZCTEOSA-N 2 1 267.461 2.456 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](N2CCCC2)C1 ZINC000382672304 803044906 /nfs/dbraw/zinc/04/49/06/803044906.db2.gz XKIFQOFHCQKOJW-INIZCTEOSA-N 2 1 267.461 2.456 20 0 CEADMP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001087202181 803115198 /nfs/dbraw/zinc/11/51/98/803115198.db2.gz SKXWLJDYQJVNDU-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@@H+](CCCOCc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693592864 803143010 /nfs/dbraw/zinc/14/30/10/803143010.db2.gz SPFCDJVGBJCPGW-IYBDPMFKSA-N 2 1 262.397 2.262 20 0 CEADMP [NH3+]Cc1cccn1-c1c[nH+]c2cccc(Br)n21 ZINC001167593285 803174487 /nfs/dbraw/zinc/17/44/87/803174487.db2.gz PDXALMYFWDVTBK-UHFFFAOYSA-N 2 1 291.152 2.346 20 0 CEADMP CCCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167636701 803225140 /nfs/dbraw/zinc/22/51/40/803225140.db2.gz YLMPCAWQEOWSDO-OAHLLOKOSA-N 2 1 283.460 2.145 20 0 CEADMP CC(C)=CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001267220909 803246016 /nfs/dbraw/zinc/24/60/16/803246016.db2.gz LTXKZGAEIQNFOY-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[NH+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001267220909 803246020 /nfs/dbraw/zinc/24/60/20/803246020.db2.gz LTXKZGAEIQNFOY-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[NH+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267220909 803246024 /nfs/dbraw/zinc/24/60/24/803246024.db2.gz LTXKZGAEIQNFOY-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)[NH2+]CC[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001246452629 813830197 /nfs/dbraw/zinc/83/01/97/813830197.db2.gz KTVYXRZIFQTPPU-ZDUSSCGKSA-N 2 1 268.351 2.410 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721555396 803332988 /nfs/dbraw/zinc/33/29/88/803332988.db2.gz MLIHLIZBTKHQHI-GXTWGEPZSA-N 2 1 265.401 2.146 20 0 CEADMP C[N@H+](CCOc1ccc(Cl)cc1)C1(C[NH3+])CCOCC1 ZINC000725046271 803412063 /nfs/dbraw/zinc/41/20/63/803412063.db2.gz GONYSEWYFMFMCO-UHFFFAOYSA-N 2 1 298.814 2.159 20 0 CEADMP C[N@@H+](CCOc1ccc(Cl)cc1)C1(C[NH3+])CCOCC1 ZINC000725046271 803412066 /nfs/dbraw/zinc/41/20/66/803412066.db2.gz GONYSEWYFMFMCO-UHFFFAOYSA-N 2 1 298.814 2.159 20 0 CEADMP COc1ccc2[nH+]c(C)cc(-n3ccc(C[NH3+])cc3=N)c2c1 ZINC001167692994 803541760 /nfs/dbraw/zinc/54/17/60/803541760.db2.gz ZVMFZDQFSNUPID-UHFFFAOYSA-N 2 1 294.358 2.281 20 0 CEADMP CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207441157 803618291 /nfs/dbraw/zinc/61/82/91/803618291.db2.gz UPSDGDJEILJRQM-AWEZNQCLSA-N 2 1 282.428 2.040 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)[C@H]1CC[NH3+] ZINC000715396599 814952956 /nfs/dbraw/zinc/95/29/56/814952956.db2.gz VJSRGKWBPPLCNQ-SYAUCNOPSA-N 2 1 266.429 2.393 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C[C@@H]1C[NH3+] ZINC000715397175 814953081 /nfs/dbraw/zinc/95/30/81/814953081.db2.gz WJNUVTOWLLKQFJ-ZLTXHLNPSA-N 2 1 266.429 2.249 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000125560545 803648827 /nfs/dbraw/zinc/64/88/27/803648827.db2.gz UHXURFGGKLLKGA-LLVKDONJSA-N 2 1 280.799 2.446 20 0 CEADMP CCCCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001267700848 803665208 /nfs/dbraw/zinc/66/52/08/803665208.db2.gz HZDZVIUHOXIQSN-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267732246 803681889 /nfs/dbraw/zinc/68/18/89/803681889.db2.gz KIDWIXOQVMFXJX-OFTJQPPSSA-N 2 1 295.471 2.264 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001267735225 803683462 /nfs/dbraw/zinc/68/34/62/803683462.db2.gz PFESAINJKQBHHC-INIZCTEOSA-N 2 1 293.455 2.019 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715385571 814963265 /nfs/dbraw/zinc/96/32/65/814963265.db2.gz KQGDIIZBFVVEPN-CABCVRRESA-N 2 1 254.418 2.395 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc(C[NH3+])ccn1 ZINC001167749032 803829736 /nfs/dbraw/zinc/82/97/36/803829736.db2.gz WGPZLLLOWPFLCB-CYBMUJFWSA-N 2 1 262.401 2.217 20 0 CEADMP CNc1cc[nH+]c(NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC001167752683 803837985 /nfs/dbraw/zinc/83/79/85/803837985.db2.gz WYDAHETYHQJOOY-GFCCVEGCSA-N 2 1 263.389 2.195 20 0 CEADMP CNc1cc[nH+]c(NCCC[N@H+]2CCCC[C@H]2C)n1 ZINC001167752683 803837994 /nfs/dbraw/zinc/83/79/94/803837994.db2.gz WYDAHETYHQJOOY-GFCCVEGCSA-N 2 1 263.389 2.195 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNc1cnc2c(c1)C[NH2+]CC2 ZINC001167754333 803840543 /nfs/dbraw/zinc/84/05/43/803840543.db2.gz WFHCBSSPPZIDMA-CQSZACIVSA-N 2 1 288.439 2.404 20 0 CEADMP Fc1ccccc1CC[N@@H+]1CCc2nccn2CC1 ZINC001207505281 803860349 /nfs/dbraw/zinc/86/03/49/803860349.db2.gz XCHPNZVBVSIYOK-UHFFFAOYSA-N 2 1 259.328 2.123 20 0 CEADMP Fc1ccccc1CC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001207505281 803860358 /nfs/dbraw/zinc/86/03/58/803860358.db2.gz XCHPNZVBVSIYOK-UHFFFAOYSA-N 2 1 259.328 2.123 20 0 CEADMP Fc1ccccc1CC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001207505281 803860368 /nfs/dbraw/zinc/86/03/68/803860368.db2.gz XCHPNZVBVSIYOK-UHFFFAOYSA-N 2 1 259.328 2.123 20 0 CEADMP C[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)(C)C ZINC000385456590 803951725 /nfs/dbraw/zinc/95/17/25/803951725.db2.gz CCHLQRTVYUSAGY-RDBSUJKOSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C(C)(C)C ZINC000385456590 803951731 /nfs/dbraw/zinc/95/17/31/803951731.db2.gz CCHLQRTVYUSAGY-RDBSUJKOSA-N 2 1 254.418 2.121 20 0 CEADMP Fc1cccc2c1SCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551577 804040837 /nfs/dbraw/zinc/04/08/37/804040837.db2.gz JTMCWGIHZRUQFK-LBPRGKRZSA-N 2 1 252.358 2.172 20 0 CEADMP CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001027410884 804064440 /nfs/dbraw/zinc/06/44/40/804064440.db2.gz HZVUWMWHIHIJOK-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694090 804198313 /nfs/dbraw/zinc/19/83/13/804198313.db2.gz RIBWAEGCFOQZRY-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CC(=O)N1CCCc2ccc(NC(=[NH2+])SCC[NH3+])cc21 ZINC001167913905 804354087 /nfs/dbraw/zinc/35/40/87/804354087.db2.gz GTRHJTXPNHJEFY-UHFFFAOYSA-N 2 1 292.408 2.024 20 0 CEADMP C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccns1 ZINC000716017559 815013905 /nfs/dbraw/zinc/01/39/05/815013905.db2.gz BANZITNKJYWHKX-JTQLQIEISA-N 2 1 251.399 2.421 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001167834574 804419470 /nfs/dbraw/zinc/41/94/70/804419470.db2.gz KVQTUYZHYWGDLY-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001167840728 804442004 /nfs/dbraw/zinc/44/20/04/804442004.db2.gz IAGGGMXVFOBQFQ-WBVHZDCISA-N 2 1 297.487 2.440 20 0 CEADMP Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692913945 804499281 /nfs/dbraw/zinc/49/92/81/804499281.db2.gz ZAQLDHVHMCAJAS-CYBMUJFWSA-N 2 1 296.846 2.285 20 0 CEADMP Cn1c(Cl)cnc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692913945 804499284 /nfs/dbraw/zinc/49/92/84/804499284.db2.gz ZAQLDHVHMCAJAS-CYBMUJFWSA-N 2 1 296.846 2.285 20 0 CEADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CC[NH2+]CCC(C)(C)C ZINC001268424013 804664468 /nfs/dbraw/zinc/66/44/68/804664468.db2.gz QXXRCFAWQPLYFK-ZDUSSCGKSA-N 2 1 294.443 2.112 20 0 CEADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917633 804773256 /nfs/dbraw/zinc/77/32/56/804773256.db2.gz NWENRLIFKRDADI-NHAGDIPZSA-N 2 1 257.381 2.130 20 0 CEADMP C[C@H](C[NH2+]CCCC1CCCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268639682 804901696 /nfs/dbraw/zinc/90/16/96/804901696.db2.gz MEIVEXNHWXZPRZ-GDBMZVCRSA-N 2 1 295.471 2.145 20 0 CEADMP CCCC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001268799723 804976696 /nfs/dbraw/zinc/97/66/96/804976696.db2.gz FYEUGRIEZWVQQA-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000710421123 804999850 /nfs/dbraw/zinc/99/98/50/804999850.db2.gz MLGQWIGKMKUSDP-CYBMUJFWSA-N 2 1 258.369 2.124 20 0 CEADMP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167953177 805214292 /nfs/dbraw/zinc/21/42/92/805214292.db2.gz SFGORJUHWKGNLG-XOIINTDNSA-N 2 1 278.440 2.360 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(O)c(F)c3)CC[C@H]21 ZINC000300435222 805325359 /nfs/dbraw/zinc/32/53/59/805325359.db2.gz VFZGYCWIEWSRCW-DZGCQCFKSA-N 2 1 278.371 2.447 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(O)c(F)c3)CC[C@H]21 ZINC000300435222 805325366 /nfs/dbraw/zinc/32/53/66/805325366.db2.gz VFZGYCWIEWSRCW-DZGCQCFKSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(O)c(F)c3)CC[C@H]21 ZINC000300435222 805325375 /nfs/dbraw/zinc/32/53/75/805325375.db2.gz VFZGYCWIEWSRCW-DZGCQCFKSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(O)c(F)c3)CC[C@H]21 ZINC000300435222 805325382 /nfs/dbraw/zinc/32/53/82/805325382.db2.gz VFZGYCWIEWSRCW-DZGCQCFKSA-N 2 1 278.371 2.447 20 0 CEADMP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001270083686 805333613 /nfs/dbraw/zinc/33/36/13/805333613.db2.gz QMFINSKVIYXLAZ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CCCC1CCC1 ZINC001270477981 805447489 /nfs/dbraw/zinc/44/74/89/805447489.db2.gz JRYMDKOITPUWCH-GDBMZVCRSA-N 2 1 295.471 2.003 20 0 CEADMP F[C@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967534 805488663 /nfs/dbraw/zinc/48/86/63/805488663.db2.gz GVVJGTQSGANNDS-GWONACJQSA-N 2 1 282.403 2.108 20 0 CEADMP F[C@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967534 805488671 /nfs/dbraw/zinc/48/86/71/805488671.db2.gz GVVJGTQSGANNDS-GWONACJQSA-N 2 1 282.403 2.108 20 0 CEADMP Cc1cnc(C[NH3+])n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967896 805490799 /nfs/dbraw/zinc/49/07/99/805490799.db2.gz KKEVOUFOULYSIF-YIONKMFJSA-N 2 1 274.412 2.228 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262042196 805504376 /nfs/dbraw/zinc/50/43/76/805504376.db2.gz PHSKNWNQIXXREF-UHFFFAOYSA-N 2 1 287.407 2.221 20 0 CEADMP Cc1ccc(-n2cc(CC[NH3+])c3cc(O)ccc32)[nH+]c1N ZINC001167982656 805518450 /nfs/dbraw/zinc/51/84/50/805518450.db2.gz HZWSUMGTWOXHLZ-UHFFFAOYSA-N 2 1 282.347 2.123 20 0 CEADMP C([NH2+]C1CCC2(CC2)CC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000696002212 807115319 /nfs/dbraw/zinc/11/53/19/807115319.db2.gz VORWIQGZAJZGRE-LSDHHAIUSA-N 2 1 264.413 2.162 20 0 CEADMP C([NH2+]C1CCC2(CC2)CC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000696002212 807115322 /nfs/dbraw/zinc/11/53/22/807115322.db2.gz VORWIQGZAJZGRE-LSDHHAIUSA-N 2 1 264.413 2.162 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)CO2)CC[C@H]1[NH3+] ZINC000716276207 815108535 /nfs/dbraw/zinc/10/85/35/815108535.db2.gz COMRSLDCQYGOLI-MGPQQGTHSA-N 2 1 252.402 2.005 20 0 CEADMP COC[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000721961216 807373981 /nfs/dbraw/zinc/37/39/81/807373981.db2.gz MAXLRYABVMPZHB-JKXDFHQYSA-N 2 1 254.418 2.120 20 0 CEADMP C[C@]1(C(F)F)C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000698844264 807436581 /nfs/dbraw/zinc/43/65/81/807436581.db2.gz QHLCMXFMLFCOCV-VYHDIPPYSA-N 2 1 288.382 2.263 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001089226306 807441829 /nfs/dbraw/zinc/44/18/29/807441829.db2.gz DNVMVTXGWMVGPX-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001089226306 807441835 /nfs/dbraw/zinc/44/18/35/807441835.db2.gz DNVMVTXGWMVGPX-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001089226306 807441841 /nfs/dbraw/zinc/44/18/41/807441841.db2.gz DNVMVTXGWMVGPX-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046308187 807542398 /nfs/dbraw/zinc/54/23/98/807542398.db2.gz GUIIWLXOMJFSFG-RDJZCZTQSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046308187 807542404 /nfs/dbraw/zinc/54/24/04/807542404.db2.gz GUIIWLXOMJFSFG-RDJZCZTQSA-N 2 1 295.471 2.096 20 0 CEADMP [NH3+][C@@H]1CCC[N@H+](CCC[NH2+]C2CCCCC2)CC1 ZINC001205095536 807596152 /nfs/dbraw/zinc/59/61/52/807596152.db2.gz YLTFHFGQEFYJED-CQSZACIVSA-N 3 1 253.434 2.112 20 0 CEADMP [NH3+][C@@H]1CCC[N@@H+](CCC[NH2+]C2CCCCC2)CC1 ZINC001205095536 807596158 /nfs/dbraw/zinc/59/61/58/807596158.db2.gz YLTFHFGQEFYJED-CQSZACIVSA-N 3 1 253.434 2.112 20 0 CEADMP Cn1ccc2cc(C[N@H+]3CCC[C@@H]([NH3+])CC3)ccc21 ZINC001205101256 807631574 /nfs/dbraw/zinc/63/15/74/807631574.db2.gz CGXGZSMPCXOJTG-OAHLLOKOSA-N 2 1 257.381 2.492 20 0 CEADMP CO[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000699281747 807670421 /nfs/dbraw/zinc/67/04/21/807670421.db2.gz JVRQINCOIRAXOK-VAQLIOGMSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716711423 815142902 /nfs/dbraw/zinc/14/29/02/815142902.db2.gz GESNYAZRJMSMIY-HJWJTTGWSA-N 2 1 274.408 2.010 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000716604186 815143435 /nfs/dbraw/zinc/14/34/35/815143435.db2.gz XBIBOZXDRSCIHC-IHRRRGAJSA-N 2 1 252.402 2.066 20 0 CEADMP COCCCOc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205146178 807821653 /nfs/dbraw/zinc/82/16/53/807821653.db2.gz RSOBTVBNHYRIPN-GOEBONIOSA-N 2 1 292.423 2.129 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1)OCc1ccccc1 ZINC001235981006 807904442 /nfs/dbraw/zinc/90/44/42/807904442.db2.gz TXSYTLXNSAEZTN-IMJJTQAJSA-N 2 1 260.381 2.015 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1)OCc1ccccc1 ZINC001235981006 807904446 /nfs/dbraw/zinc/90/44/46/807904446.db2.gz TXSYTLXNSAEZTN-IMJJTQAJSA-N 2 1 260.381 2.015 20 0 CEADMP C[C@@H]1C[C@@H](O)C[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171632181 815202149 /nfs/dbraw/zinc/20/21/49/815202149.db2.gz WGCKOHLMLUKYEM-DGCLKSJQSA-N 2 1 254.418 2.093 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@](C)(O)C2)CC1(C)C ZINC001171631520 815202370 /nfs/dbraw/zinc/20/23/70/815202370.db2.gz KQDJRQHHJKZDPC-HNNXBMFYSA-N 2 1 254.418 2.095 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001171645725 815207588 /nfs/dbraw/zinc/20/75/88/815207588.db2.gz AEJLIRAWCFLSGT-JKSUJKDBSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2ccc(F)cc2F)CC[C@H]1C[NH3+] ZINC001120268718 815209057 /nfs/dbraw/zinc/20/90/57/815209057.db2.gz IBLSPKMTXSWCHT-YPMHNXCESA-N 2 1 268.351 2.424 20 0 CEADMP CC(=O)N1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC001171642768 815214984 /nfs/dbraw/zinc/21/49/84/815214984.db2.gz MRMNQNIMOBEFCV-ZDUSSCGKSA-N 2 1 295.471 2.190 20 0 CEADMP CC(=O)N1CC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC001171642768 815214987 /nfs/dbraw/zinc/21/49/87/815214987.db2.gz MRMNQNIMOBEFCV-ZDUSSCGKSA-N 2 1 295.471 2.190 20 0 CEADMP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@](O)(C[NH3+])CC2)o1 ZINC001205212347 808575011 /nfs/dbraw/zinc/57/50/11/808575011.db2.gz ZFOCXZRNXDZEOZ-CZUORRHYSA-N 2 1 280.412 2.257 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@@H+](CCCc2ccc(Cl)cc2)CC1 ZINC001205212418 808576474 /nfs/dbraw/zinc/57/64/74/808576474.db2.gz ZSBSQZTZZNZJGP-MRXNPFEDSA-N 2 1 296.842 2.448 20 0 CEADMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430004 815221772 /nfs/dbraw/zinc/22/17/72/815221772.db2.gz GEMNWCQZUUCGDJ-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205221732 808627355 /nfs/dbraw/zinc/62/73/55/808627355.db2.gz XIJKTIFVCFARNZ-QGZVFWFLSA-N 2 1 287.407 2.152 20 0 CEADMP C[C@H]1C[C@@H](n2ncc3c2CC[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC001171753890 815225471 /nfs/dbraw/zinc/22/54/71/815225471.db2.gz YJANLDXVMLTUBH-WMLDXEAASA-N 2 1 296.418 2.364 20 0 CEADMP C[C@@H]1C[C@H](N2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC001171760771 815227377 /nfs/dbraw/zinc/22/73/77/815227377.db2.gz ZYWYHHRUEHTLSB-YSHGAJCASA-N 2 1 299.462 2.428 20 0 CEADMP C[C@@H]1C[C@H](N2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171760771 815227381 /nfs/dbraw/zinc/22/73/81/815227381.db2.gz ZYWYHHRUEHTLSB-YSHGAJCASA-N 2 1 299.462 2.428 20 0 CEADMP CCN(C1C[NH+](C)C1)[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171768835 815228742 /nfs/dbraw/zinc/22/87/42/815228742.db2.gz XFDSHCZWOQPUOA-WBVHZDCISA-N 2 1 287.451 2.285 20 0 CEADMP CCN(C1C[NH+](C)C1)[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171768835 815228744 /nfs/dbraw/zinc/22/87/44/815228744.db2.gz XFDSHCZWOQPUOA-WBVHZDCISA-N 2 1 287.451 2.285 20 0 CEADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1Cc2cccc(F)c2C1 ZINC001171773398 815230286 /nfs/dbraw/zinc/23/02/86/815230286.db2.gz KNNGYZIXZYUFQO-LBPRGKRZSA-N 2 1 259.328 2.172 20 0 CEADMP C[NH+](C)C1CCC(N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC000715521014 808747674 /nfs/dbraw/zinc/74/76/74/808747674.db2.gz FRSCJQBFCBVRPT-GPANFISMSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1Cc3cccc(F)c3C1)C2 ZINC001171808965 815242176 /nfs/dbraw/zinc/24/21/76/815242176.db2.gz GQGIBFFMWKBIEK-JKIFEVAISA-N 2 1 274.383 2.176 20 0 CEADMP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2)C1(C)C ZINC001120607739 815245384 /nfs/dbraw/zinc/24/53/84/815245384.db2.gz HHIBDIWUMXPYCK-RRFJBIMHSA-N 2 1 262.397 2.038 20 0 CEADMP CC[C@H](C)C[C@@H](C)Nc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001168693930 808983137 /nfs/dbraw/zinc/98/31/37/808983137.db2.gz LDLYOGMNGWOKNO-QWHCGFSZSA-N 2 1 277.416 2.123 20 0 CEADMP Cc1c(Br)cncc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205046266 809064635 /nfs/dbraw/zinc/06/46/35/809064635.db2.gz AFXKJVDGQHIXGH-UHFFFAOYSA-N 2 1 298.228 2.323 20 0 CEADMP c1c[nH+]c(NC(C2CC2)C2CC2)c(N2CC[NH2+]CC2)c1 ZINC001168742529 809219126 /nfs/dbraw/zinc/21/91/26/809219126.db2.gz MYFYZTBVLZPTFJ-UHFFFAOYSA-N 2 1 272.396 2.092 20 0 CEADMP C[C@@H](CNc1cc[nH+]cc1)[N@H+]1CCc2sccc2C1 ZINC001120779883 815272929 /nfs/dbraw/zinc/27/29/29/815272929.db2.gz QSTZPEVCHDYLOU-LBPRGKRZSA-N 2 1 273.405 2.424 20 0 CEADMP CCCC[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476993 809314292 /nfs/dbraw/zinc/31/42/92/809314292.db2.gz ZLMDBGHMZONRMH-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1 ZINC000700546200 809321808 /nfs/dbraw/zinc/32/18/08/809321808.db2.gz WFPHRDZMXKZALH-GFCCVEGCSA-N 2 1 263.385 2.075 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)C2 ZINC001172101044 815280106 /nfs/dbraw/zinc/28/01/06/815280106.db2.gz VMRJWCHRPMSZNX-XMTFNYHQSA-N 2 1 288.435 2.499 20 0 CEADMP N[C@@H]1CC[N@@H+](CCc2ccc(F)cc2)CC[C@H]1F ZINC001206155972 815280408 /nfs/dbraw/zinc/28/04/08/815280408.db2.gz NMPRVSOPBYZRKV-ZIAGYGMSSA-N 2 1 254.324 2.129 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](CCc2ccc(F)cc2)CC[C@H]1F ZINC001206155972 815280416 /nfs/dbraw/zinc/28/04/16/815280416.db2.gz NMPRVSOPBYZRKV-ZIAGYGMSSA-N 2 1 254.324 2.129 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000700791257 809348873 /nfs/dbraw/zinc/34/88/73/809348873.db2.gz IOZMXUFQVXXCEN-TZMCWYRMSA-N 2 1 262.401 2.109 20 0 CEADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nc1 ZINC001172098187 815282125 /nfs/dbraw/zinc/28/21/25/815282125.db2.gz BLHGEXRLAYWECJ-PHZGNYQRSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC001172098187 815282130 /nfs/dbraw/zinc/28/21/30/815282130.db2.gz BLHGEXRLAYWECJ-PHZGNYQRSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000700815294 809357547 /nfs/dbraw/zinc/35/75/47/809357547.db2.gz FDOSQRLPSWZXRL-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)s1 ZINC000700815294 809357553 /nfs/dbraw/zinc/35/75/53/809357553.db2.gz FDOSQRLPSWZXRL-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP COc1ccccc1CCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156385 815282888 /nfs/dbraw/zinc/28/28/88/815282888.db2.gz QJBHCAMANQFZIF-GJZGRUSLSA-N 2 1 280.387 2.389 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156385 815282891 /nfs/dbraw/zinc/28/28/91/815282891.db2.gz QJBHCAMANQFZIF-GJZGRUSLSA-N 2 1 280.387 2.389 20 0 CEADMP CCOC(=O)CCCCCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156376 815283127 /nfs/dbraw/zinc/28/31/27/815283127.db2.gz QIXDYULJOTXQHL-KGLIPLIRSA-N 2 1 288.407 2.261 20 0 CEADMP CCOC(=O)CCCCCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156376 815283129 /nfs/dbraw/zinc/28/31/29/815283129.db2.gz QIXDYULJOTXQHL-KGLIPLIRSA-N 2 1 288.407 2.261 20 0 CEADMP Cc1ncccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100939 815283801 /nfs/dbraw/zinc/28/38/01/815283801.db2.gz USTPYEKEOPJJBG-MUJYYYPQSA-N 2 1 259.397 2.495 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172125916 815285369 /nfs/dbraw/zinc/28/53/69/815285369.db2.gz RTFCGDYDSFTAER-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172125916 815285373 /nfs/dbraw/zinc/28/53/73/815285373.db2.gz RTFCGDYDSFTAER-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172125916 815285377 /nfs/dbraw/zinc/28/53/77/815285377.db2.gz RTFCGDYDSFTAER-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172125916 815285379 /nfs/dbraw/zinc/28/53/79/815285379.db2.gz RTFCGDYDSFTAER-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP Cc1noc([C@H]2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172127397 815286571 /nfs/dbraw/zinc/28/65/71/815286571.db2.gz JBGAVCRDOSUOBJ-XQLPTFJDSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1noc([C@H]2CC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172127397 815286574 /nfs/dbraw/zinc/28/65/74/815286574.db2.gz JBGAVCRDOSUOBJ-XQLPTFJDSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1noc([C@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172127397 815286577 /nfs/dbraw/zinc/28/65/77/815286577.db2.gz JBGAVCRDOSUOBJ-XQLPTFJDSA-N 2 1 290.411 2.183 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH+]3CCC3)CC1)C2 ZINC001172133641 815290951 /nfs/dbraw/zinc/29/09/51/815290951.db2.gz UCMMIJGYCFQZGC-FVQHAEBGSA-N 2 1 277.456 2.172 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172131107 815291036 /nfs/dbraw/zinc/29/10/36/815291036.db2.gz VBTWVEWXBGUBLB-VVLHAWIVSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172131107 815291039 /nfs/dbraw/zinc/29/10/39/815291039.db2.gz VBTWVEWXBGUBLB-VVLHAWIVSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172131107 815291044 /nfs/dbraw/zinc/29/10/44/815291044.db2.gz VBTWVEWXBGUBLB-VVLHAWIVSA-N 2 1 279.472 2.416 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1cncs1)C2 ZINC001172104262 815294075 /nfs/dbraw/zinc/29/40/75/815294075.db2.gz AWZMKYUIYDTUOM-CLLJXQQHSA-N 2 1 265.426 2.291 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CO)c1cccs1)C2 ZINC001172105465 815295414 /nfs/dbraw/zinc/29/54/14/815295414.db2.gz IHWXTRBVJPETAP-FQUUOJAGSA-N 2 1 280.437 2.386 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CC[C@H](O)CC1)C2 ZINC001172108887 815298181 /nfs/dbraw/zinc/29/81/81/815298181.db2.gz FEYWKHFSEMQAKS-JHJNDJDLSA-N 2 1 266.429 2.142 20 0 CEADMP O[C@]1(C[NH2+]CCC2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000702563150 809566323 /nfs/dbraw/zinc/56/63/23/809566323.db2.gz OZQFNENSZZKXMV-SFHVURJKSA-N 2 1 288.435 2.403 20 0 CEADMP O[C@]1(C[NH2+]CCC2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000702563150 809566328 /nfs/dbraw/zinc/56/63/28/809566328.db2.gz OZQFNENSZZKXMV-SFHVURJKSA-N 2 1 288.435 2.403 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCOC(C)(C)C1)C2 ZINC001172114387 815302801 /nfs/dbraw/zinc/30/28/01/815302801.db2.gz RDUINECOJLMYMM-BTTYYORXSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCOC(C)(C)C1)C2 ZINC001172114387 815302807 /nfs/dbraw/zinc/30/28/07/815302807.db2.gz RDUINECOJLMYMM-BTTYYORXSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCOC(C)(C)C1)C2 ZINC001172114387 815302813 /nfs/dbraw/zinc/30/28/13/815302813.db2.gz RDUINECOJLMYMM-BTTYYORXSA-N 2 1 252.402 2.113 20 0 CEADMP CCCC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034486655 809619791 /nfs/dbraw/zinc/61/97/91/809619791.db2.gz CENCCROLYAKRCA-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034486655 809619795 /nfs/dbraw/zinc/61/97/95/809619795.db2.gz CENCCROLYAKRCA-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034486655 809619797 /nfs/dbraw/zinc/61/97/97/809619797.db2.gz CENCCROLYAKRCA-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034486657 809620348 /nfs/dbraw/zinc/62/03/48/809620348.db2.gz CENCCROLYAKRCA-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034486657 809620351 /nfs/dbraw/zinc/62/03/51/809620351.db2.gz CENCCROLYAKRCA-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034486657 809620354 /nfs/dbraw/zinc/62/03/54/809620354.db2.gz CENCCROLYAKRCA-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCC(C)(C)O)C2 ZINC001172112976 815304077 /nfs/dbraw/zinc/30/40/77/815304077.db2.gz BERJEGUHPTUFPL-ZSOGYDGISA-N 2 1 254.418 2.142 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172114071 815304561 /nfs/dbraw/zinc/30/45/61/815304561.db2.gz OTCDGLPVUKRPMC-JKJDWNRSSA-N 2 1 294.439 2.323 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172114071 815304568 /nfs/dbraw/zinc/30/45/68/815304568.db2.gz OTCDGLPVUKRPMC-JKJDWNRSSA-N 2 1 294.439 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCC[C@H](O)C1)C2 ZINC001172116394 815305052 /nfs/dbraw/zinc/30/50/52/815305052.db2.gz HDLOWTDEVUZRLA-QMHWVQJVSA-N 2 1 266.429 2.142 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]C(C)C)CC2)CC[N@H+]1C ZINC001034649746 809650780 /nfs/dbraw/zinc/65/07/80/809650780.db2.gz SDZKQNNZERPCJT-YHUYYLMFSA-N 2 1 295.471 2.142 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C(C)C)CC1 ZINC001034795400 809695751 /nfs/dbraw/zinc/69/57/51/809695751.db2.gz BSEFCCAOUOVJTO-BZUAXINKSA-N 2 1 295.471 2.286 20 0 CEADMP COC1CC(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000703875316 809699075 /nfs/dbraw/zinc/69/90/75/809699075.db2.gz LFBOCRIIBFTMOK-SIWZUTFBSA-N 2 1 266.429 2.123 20 0 CEADMP COc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001172119239 815310289 /nfs/dbraw/zinc/31/02/89/815310289.db2.gz WSOOWTMXSKZHKM-QKDCVEJESA-N 2 1 275.396 2.195 20 0 CEADMP COc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172119239 815310295 /nfs/dbraw/zinc/31/02/95/815310295.db2.gz WSOOWTMXSKZHKM-QKDCVEJESA-N 2 1 275.396 2.195 20 0 CEADMP C[C@H](O)C[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705924377 809792942 /nfs/dbraw/zinc/79/29/42/809792942.db2.gz UWNDWERYLADUED-CGTJXYLNSA-N 2 1 288.435 2.211 20 0 CEADMP COc1ccc(C)nc1NCC[C@@H]1CC[NH2+]CC1(F)F ZINC001162811242 809858513 /nfs/dbraw/zinc/85/85/13/809858513.db2.gz UDPPJPTVIVTGBF-NSHDSACASA-N 2 1 285.338 2.445 20 0 CEADMP C[C@@H]1COC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708536628 809945823 /nfs/dbraw/zinc/94/58/23/809945823.db2.gz FBAHICOFDYYSMX-LMSBXDPUSA-N 2 1 288.435 2.379 20 0 CEADMP CC1(C)CC[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)OC1 ZINC000709848574 809972748 /nfs/dbraw/zinc/97/27/48/809972748.db2.gz JIYWPPZQKVBEFU-HOCLYGCPSA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)cc(F)c1)C2 ZINC000709853941 809972834 /nfs/dbraw/zinc/97/28/34/809972834.db2.gz MJRWQDVFAABMGR-GDLCADMTSA-N 2 1 252.308 2.276 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)cc(F)c1)C2 ZINC000709853941 809972841 /nfs/dbraw/zinc/97/28/41/809972841.db2.gz MJRWQDVFAABMGR-GDLCADMTSA-N 2 1 252.308 2.276 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1C(F)(F)F ZINC000709865728 809974409 /nfs/dbraw/zinc/97/44/09/809974409.db2.gz CNNGSZHQHPBHOH-IYKVGLELSA-N 2 1 262.319 2.102 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)C1CCCCC1 ZINC000695131078 810023896 /nfs/dbraw/zinc/02/38/96/810023896.db2.gz GSWGYJGTOATACQ-AEGPPILISA-N 2 1 254.418 2.312 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC3CC2(C[NH3+])C3)C(C)(C)O1 ZINC000711335815 810059196 /nfs/dbraw/zinc/05/91/96/810059196.db2.gz WUTZGRMFYLSRDZ-MQYJIDSJSA-N 2 1 252.402 2.003 20 0 CEADMP C[N@@H+](CCCCc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923307100 810084446 /nfs/dbraw/zinc/08/44/46/810084446.db2.gz UMVJUJPOFKLCHE-QGZVFWFLSA-N 2 1 288.435 2.320 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@@H](O)c1ccccc1)C1CCCCC1 ZINC000923371355 810088695 /nfs/dbraw/zinc/08/86/95/810088695.db2.gz AFBIITFCEWQPTM-JKSUJKDBSA-N 2 1 262.397 2.217 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000923359161 810089121 /nfs/dbraw/zinc/08/91/21/810089121.db2.gz OFGIGHSOUSYKTO-FGTMMUONSA-N 2 1 288.435 2.432 20 0 CEADMP CCc1onc(C)c1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000923383957 810090209 /nfs/dbraw/zinc/09/02/09/810090209.db2.gz YYLHTVMPVMPIDW-WZRBSPASSA-N 2 1 265.401 2.351 20 0 CEADMP Clc1cc2c(s1)CC[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923384572 810090632 /nfs/dbraw/zinc/09/06/32/810090632.db2.gz HVWFNGGRFFYOCD-LLVKDONJSA-N 2 1 298.839 2.138 20 0 CEADMP Clc1cc2c(s1)CC[N@@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923384572 810090636 /nfs/dbraw/zinc/09/06/36/810090636.db2.gz HVWFNGGRFFYOCD-LLVKDONJSA-N 2 1 298.839 2.138 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000711849994 810100417 /nfs/dbraw/zinc/10/04/17/810100417.db2.gz YYHFVEBZQQVONM-BMFZPTHFSA-N 2 1 266.429 2.123 20 0 CEADMP [NH3+]CCC[C@@H]1CCCC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172235373 815340741 /nfs/dbraw/zinc/34/07/41/815340741.db2.gz ABLYIWKXVAMFLD-HNSVSWJLSA-N 2 1 264.413 2.313 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015291002 810277013 /nfs/dbraw/zinc/27/70/13/810277013.db2.gz OXWXJIGMABVTPJ-HNNXBMFYSA-N 2 1 298.390 2.105 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001015421655 810287237 /nfs/dbraw/zinc/28/72/37/810287237.db2.gz FVUBPEGFALXSAE-OAHLLOKOSA-N 2 1 298.390 2.085 20 0 CEADMP COCCC[NH+]1CCC([NH+]2CCC(C(F)F)CC2)CC1 ZINC001172256480 815361273 /nfs/dbraw/zinc/36/12/73/815361273.db2.gz YKHGWMRVNJMGQH-UHFFFAOYSA-N 2 1 290.398 2.464 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](CF)C2)CC1 ZINC001172255024 815361416 /nfs/dbraw/zinc/36/14/16/815361416.db2.gz FXENMASUQRJQSA-AWEZNQCLSA-N 2 1 272.408 2.169 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](CF)C2)CC1 ZINC001172255024 815361421 /nfs/dbraw/zinc/36/14/21/815361421.db2.gz FXENMASUQRJQSA-AWEZNQCLSA-N 2 1 272.408 2.169 20 0 CEADMP Cn1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c2ccccc21 ZINC001206163340 815362083 /nfs/dbraw/zinc/36/20/83/815362083.db2.gz BPYGVYJRFMXILM-LSDHHAIUSA-N 2 1 275.371 2.440 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c2ccccc21 ZINC001206163340 815362086 /nfs/dbraw/zinc/36/20/86/815362086.db2.gz BPYGVYJRFMXILM-LSDHHAIUSA-N 2 1 275.371 2.440 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015795427 810357813 /nfs/dbraw/zinc/35/78/13/810357813.db2.gz PPHVESRDSVXJLG-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001082783176 810398600 /nfs/dbraw/zinc/39/86/00/810398600.db2.gz FUMYECPVDITNPM-OAGGEKHMSA-N 2 1 295.471 2.096 20 0 CEADMP C1C[N@@H+]2CCCC[C@H]2[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723663031 811027850 /nfs/dbraw/zinc/02/78/50/811027850.db2.gz KOJIZNMHWNTTSR-MTSZKFMLSA-N 2 1 278.440 2.408 20 0 CEADMP C1C[N@H+]2CCCC[C@H]2[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723663031 811027856 /nfs/dbraw/zinc/02/78/56/811027856.db2.gz KOJIZNMHWNTTSR-MTSZKFMLSA-N 2 1 278.440 2.408 20 0 CEADMP CC/C=C/CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129326958 811048813 /nfs/dbraw/zinc/04/88/13/811048813.db2.gz DBXQDYUPWNOTBC-JFDDCEBESA-N 2 1 295.471 2.026 20 0 CEADMP CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086217000 811065007 /nfs/dbraw/zinc/06/50/07/811065007.db2.gz JVDASGMAQAPHLL-OWCLPIDISA-N 2 1 295.471 2.144 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CCOCC)C[C@@H]2C1 ZINC001172427557 815419505 /nfs/dbraw/zinc/41/95/05/815419505.db2.gz QBSSEEHTYAOCNF-SOUVJXGZSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CCOCC)C[C@@H]2C1 ZINC001172427557 815419509 /nfs/dbraw/zinc/41/95/09/815419509.db2.gz QBSSEEHTYAOCNF-SOUVJXGZSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CCOCC)C[C@@H]2C1 ZINC001172427557 815419514 /nfs/dbraw/zinc/41/95/14/815419514.db2.gz QBSSEEHTYAOCNF-SOUVJXGZSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)COCC[C@@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001172470219 815428759 /nfs/dbraw/zinc/42/87/59/815428759.db2.gz XRVRDGUPOWCCGA-CYBMUJFWSA-N 2 1 253.390 2.398 20 0 CEADMP CCC(CC)[N@@H+](CCOC)C[C@H]([NH3+])CC(F)F ZINC000379759191 811202891 /nfs/dbraw/zinc/20/28/91/811202891.db2.gz BQPOTGIPMIWZSH-SNVBAGLBSA-N 2 1 252.349 2.106 20 0 CEADMP Cc1[nH]c2ccc(N(CC[NH3+])c3cccnc3)cc2[nH+]1 ZINC001168834699 811263735 /nfs/dbraw/zinc/26/37/35/811263735.db2.gz QTNVKVWPZJQJMB-UHFFFAOYSA-N 2 1 267.336 2.363 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c3ccccc3nn2C)CCC[C@H]1C[NH3+] ZINC001205996195 811308535 /nfs/dbraw/zinc/30/85/35/811308535.db2.gz VZSJEWPEAUPGCJ-KBPBESRZSA-N 2 1 286.423 2.380 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccccc3nc1CC[NH3+])C2 ZINC001169094543 811367332 /nfs/dbraw/zinc/36/73/32/811367332.db2.gz MIIHMURHNIUXIR-BTTYYORXSA-N 2 1 284.407 2.335 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCc1ccccn1)C2 ZINC001169099430 811368103 /nfs/dbraw/zinc/36/81/03/811368103.db2.gz RMJZMVLXQIONRO-PHZGNYQRSA-N 2 1 259.397 2.229 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3ccccc3NC1=O)C2 ZINC001169099533 811370954 /nfs/dbraw/zinc/37/09/54/811370954.db2.gz APJXBIMKQYQRGG-MPTYRVRUSA-N 2 1 299.418 2.155 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCc3ccccc3NC1=O)C2 ZINC001169099533 811370960 /nfs/dbraw/zinc/37/09/60/811370960.db2.gz APJXBIMKQYQRGG-MPTYRVRUSA-N 2 1 299.418 2.155 20 0 CEADMP Cc1ncn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1CSCC[NH3+] ZINC001169100018 811374589 /nfs/dbraw/zinc/37/45/89/811374589.db2.gz ZKFKWYOYVBIQLX-BTTYYORXSA-N 2 1 294.468 2.181 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3c(c1)OCO3)C2 ZINC001169081712 811377905 /nfs/dbraw/zinc/37/79/05/811377905.db2.gz VCJUJKYWXPBYKX-ZSOGYDGISA-N 2 1 274.364 2.130 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3c(c1)OCO3)C2 ZINC001169081712 811377914 /nfs/dbraw/zinc/37/79/14/811377914.db2.gz VCJUJKYWXPBYKX-ZSOGYDGISA-N 2 1 274.364 2.130 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C2 ZINC001169077938 811378248 /nfs/dbraw/zinc/37/82/48/811378248.db2.gz BXOJOVXHZIGRIS-QKPAOTATSA-N 2 1 278.371 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(CC3CC3)CC1)C2 ZINC001169116954 811387605 /nfs/dbraw/zinc/38/76/05/811387605.db2.gz UVVBOVTWUUDQRI-ZSHCYNCHSA-N 2 1 277.456 2.205 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169123019 811388684 /nfs/dbraw/zinc/38/86/84/811388684.db2.gz HKLGBOKQAFPFSR-ZSAUSMIDSA-N 2 1 252.402 2.159 20 0 CEADMP CC(C)N([C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C[NH3+] ZINC001169122566 811389150 /nfs/dbraw/zinc/38/91/50/811389150.db2.gz AMFVNRKXOOBMEA-BTTYYORXSA-N 2 1 253.434 2.059 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@]3(C1)CCCCO3)C2 ZINC001169130330 811399658 /nfs/dbraw/zinc/39/96/58/811399658.db2.gz MQNLNUYXPYMKGO-FZKCQIBNSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@]3(C1)CCCCO3)C2 ZINC001169130330 811399667 /nfs/dbraw/zinc/39/96/67/811399667.db2.gz MQNLNUYXPYMKGO-FZKCQIBNSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@]3(C1)CCCCO3)C2 ZINC001169130330 811399672 /nfs/dbraw/zinc/39/96/72/811399672.db2.gz MQNLNUYXPYMKGO-FZKCQIBNSA-N 2 1 264.413 2.257 20 0 CEADMP CO[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169143342 811408339 /nfs/dbraw/zinc/40/83/39/811408339.db2.gz FHPBFPLUILLHTL-YJNKXOJESA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169143342 811408344 /nfs/dbraw/zinc/40/83/44/811408344.db2.gz FHPBFPLUILLHTL-YJNKXOJESA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169143342 811408349 /nfs/dbraw/zinc/40/83/49/811408349.db2.gz FHPBFPLUILLHTL-YJNKXOJESA-N 2 1 252.402 2.113 20 0 CEADMP CC[N@@H+](C)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169155067 811413685 /nfs/dbraw/zinc/41/36/85/811413685.db2.gz WZSHSAKTXODUFX-ZSHCYNCHSA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+](C)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169155067 811413692 /nfs/dbraw/zinc/41/36/92/811413692.db2.gz WZSHSAKTXODUFX-ZSHCYNCHSA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+](C)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169155067 811413696 /nfs/dbraw/zinc/41/36/96/811413696.db2.gz WZSHSAKTXODUFX-ZSHCYNCHSA-N 2 1 265.445 2.028 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](Oc3ccccn3)C1)C2 ZINC001169155657 811416613 /nfs/dbraw/zinc/41/66/13/811416613.db2.gz UJFPJIFHHOQIOA-JJXSEGSLSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](Oc3ccccn3)C1)C2 ZINC001169155657 811416619 /nfs/dbraw/zinc/41/66/19/811416619.db2.gz UJFPJIFHHOQIOA-JJXSEGSLSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](Oc3ccccn3)C1)C2 ZINC001169155657 811416626 /nfs/dbraw/zinc/41/66/26/811416626.db2.gz UJFPJIFHHOQIOA-JJXSEGSLSA-N 2 1 287.407 2.160 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001169224281 811437813 /nfs/dbraw/zinc/43/78/13/811437813.db2.gz HKSOJPQKARBBKI-HDJSIYSDSA-N 2 1 297.443 2.116 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001045228839 811586313 /nfs/dbraw/zinc/58/63/13/811586313.db2.gz CDFKSTVANWKNSV-HOTGVXAUSA-N 2 1 295.471 2.238 20 0 CEADMP Cn1ccnc1[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000365650291 811592140 /nfs/dbraw/zinc/59/21/40/811592140.db2.gz QWBIYKASBWGVHU-LSDHHAIUSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1ccnc1[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000365650291 811592142 /nfs/dbraw/zinc/59/21/42/811592142.db2.gz QWBIYKASBWGVHU-LSDHHAIUSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1ccnc1[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000365650291 811592146 /nfs/dbraw/zinc/59/21/46/811592146.db2.gz QWBIYKASBWGVHU-LSDHHAIUSA-N 2 1 276.428 2.084 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(CCO)cc2)CCC[C@@H]1C[NH3+] ZINC001206015001 811608984 /nfs/dbraw/zinc/60/89/84/811608984.db2.gz ZFCOOIXZKUVVCB-RHSMWYFYSA-N 2 1 276.424 2.028 20 0 CEADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169797289 811664193 /nfs/dbraw/zinc/66/41/93/811664193.db2.gz CWDWXMLFGMTIHH-LSDHHAIUSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169798920 811664862 /nfs/dbraw/zinc/66/48/62/811664862.db2.gz SSUNCDUINRJZJS-HZPDHXFCSA-N 2 1 297.487 2.391 20 0 CEADMP c1ccc([C@@H]2C[C@H]2Nc2[nH+]cccc2N2CC[NH2+]CC2)cc1 ZINC001169811112 811677094 /nfs/dbraw/zinc/67/70/94/811677094.db2.gz PZXZXJDPMZSSKA-JKSUJKDBSA-N 2 1 294.402 2.459 20 0 CEADMP CN(C)c1cc[nH+]c(NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001156380355 811678759 /nfs/dbraw/zinc/67/87/59/811678759.db2.gz ZOFJUJHMUMBORF-ZDUSSCGKSA-N 2 1 262.401 2.291 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CCN3)CCC[C@@H]1C[NH3+] ZINC001206025109 811710225 /nfs/dbraw/zinc/71/02/25/811710225.db2.gz MGUPFZOCWQOBEZ-ZIAGYGMSSA-N 2 1 273.424 2.461 20 0 CEADMP C1CCC([N@@H+]2CC[C@@H]([NH2+][C@@H]3CCCC4(C3)OCCO4)C2)C1 ZINC001169922743 811719511 /nfs/dbraw/zinc/71/95/11/811719511.db2.gz FOJIILNMSYPJOT-HUUCEWRRSA-N 2 1 294.439 2.279 20 0 CEADMP C1CCC([N@H+]2CC[C@@H]([NH2+][C@@H]3CCCC4(C3)OCCO4)C2)C1 ZINC001169922743 811719518 /nfs/dbraw/zinc/71/95/18/811719518.db2.gz FOJIILNMSYPJOT-HUUCEWRRSA-N 2 1 294.439 2.279 20 0 CEADMP CCC[NH+]1C[C@@H]2CN(Cc3[nH]c(CC)[nH+]c3C)C[C@H]2C1 ZINC001203251053 815487388 /nfs/dbraw/zinc/48/73/88/815487388.db2.gz KZWUNKHRPPWAJI-ZIAGYGMSSA-N 2 1 276.428 2.054 20 0 CEADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C)[NH+](C)C ZINC001109733561 811934528 /nfs/dbraw/zinc/93/45/28/811934528.db2.gz VOIVVAJXQPUTPV-UGUYLWEFSA-N 2 1 293.455 2.014 20 0 CEADMP Cn1ccc2cc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)ccc21 ZINC001206174771 815492646 /nfs/dbraw/zinc/49/26/46/815492646.db2.gz PJRZLGCOEMJDFK-CABCVRRESA-N 2 1 275.371 2.440 20 0 CEADMP Cn1ccc2cc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)ccc21 ZINC001206174771 815492652 /nfs/dbraw/zinc/49/26/52/815492652.db2.gz PJRZLGCOEMJDFK-CABCVRRESA-N 2 1 275.371 2.440 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC(C)C ZINC001109928039 811970712 /nfs/dbraw/zinc/97/07/12/811970712.db2.gz DIGCINLWIHLHJG-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC(C)C ZINC001109928039 811970714 /nfs/dbraw/zinc/97/07/14/811970714.db2.gz DIGCINLWIHLHJG-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001109928039 811970718 /nfs/dbraw/zinc/97/07/18/811970718.db2.gz DIGCINLWIHLHJG-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110019166 811985113 /nfs/dbraw/zinc/98/51/13/811985113.db2.gz IXWCSTVIRWLXOS-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001110019166 811985116 /nfs/dbraw/zinc/98/51/16/811985116.db2.gz IXWCSTVIRWLXOS-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001110019166 811985120 /nfs/dbraw/zinc/98/51/20/811985120.db2.gz IXWCSTVIRWLXOS-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP COC(=O)[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172765467 815512315 /nfs/dbraw/zinc/51/23/15/815512315.db2.gz GFVYICQJQWIYAE-GVRJEKJASA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001172768367 815513264 /nfs/dbraw/zinc/51/32/64/815513264.db2.gz RZFOLOGFLBCPLJ-ARFHVFGLSA-N 2 1 296.455 2.430 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001172760838 815510101 /nfs/dbraw/zinc/51/01/01/815510101.db2.gz CCMLLJKXKJGYSR-CQSZACIVSA-N 2 1 284.444 2.380 20 0 CEADMP CCCCCN1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001113682845 812298395 /nfs/dbraw/zinc/29/83/95/812298395.db2.gz UTFNGJSOMSZWIH-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001113682845 812298406 /nfs/dbraw/zinc/29/84/06/812298406.db2.gz UTFNGJSOMSZWIH-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC001172778022 815518613 /nfs/dbraw/zinc/51/86/13/815518613.db2.gz DTYRUIWXFBHCTE-LJISPDSOSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC001172778022 815518614 /nfs/dbraw/zinc/51/86/14/815518614.db2.gz DTYRUIWXFBHCTE-LJISPDSOSA-N 2 1 282.428 2.038 20 0 CEADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCOC1)c1ccccc1 ZINC001254367876 812367829 /nfs/dbraw/zinc/36/78/29/812367829.db2.gz NZJHXJMQIIZZDJ-CVEARBPZSA-N 2 1 262.397 2.448 20 0 CEADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C(C)(C)C[NH3+] ZINC001170414036 812409563 /nfs/dbraw/zinc/40/95/63/812409563.db2.gz XZNIJGVLWRJJLC-LBPRGKRZSA-N 2 1 264.369 2.063 20 0 CEADMP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254508267 812426840 /nfs/dbraw/zinc/42/68/40/812426840.db2.gz QDWXAAVQDGAVIT-UONOGXRCSA-N 2 1 299.459 2.364 20 0 CEADMP C[N@H+]1CCC[C@H](N2CCCC[C@H]2C[NH+]2CCCC2)CC1 ZINC001254524517 812437519 /nfs/dbraw/zinc/43/75/19/812437519.db2.gz XFWFMSLATSEBCU-IRXDYDNUSA-N 2 1 279.472 2.421 20 0 CEADMP Cc1nc(C2CC[NH+]([C@@H]3CCC[N@H+](C)CC3)CC2)no1 ZINC001254523955 812437702 /nfs/dbraw/zinc/43/77/02/812437702.db2.gz SNIFZHFKUWZJIV-CQSZACIVSA-N 2 1 278.400 2.042 20 0 CEADMP CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938310 812476375 /nfs/dbraw/zinc/47/63/75/812476375.db2.gz VHDZNGBXLWZUHT-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@@H](C)C[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129422341 812492632 /nfs/dbraw/zinc/49/26/32/812492632.db2.gz HNFJWMUIUTUGQE-HUUCEWRRSA-N 2 1 283.460 2.001 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CCCC1CCC1 ZINC001130427082 812566856 /nfs/dbraw/zinc/56/68/56/812566856.db2.gz IHSFUBDBDFECGM-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC1CCC(C)CC1 ZINC001130424963 812567119 /nfs/dbraw/zinc/56/71/19/812567119.db2.gz JACXUUMCQJKBEA-UHFFFAOYSA-N 2 1 297.487 2.249 20 0 CEADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170503975 812584476 /nfs/dbraw/zinc/58/44/76/812584476.db2.gz YTUHYQVRRPVTHU-ZIAGYGMSSA-N 2 1 270.417 2.040 20 0 CEADMP CC[C@@H](C)C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622675 812591683 /nfs/dbraw/zinc/59/16/83/812591683.db2.gz UVMNTDRYHUKNDE-CQSZACIVSA-N 2 1 297.487 2.391 20 0 CEADMP CC[N@@H+](C1CCN(C)CC1)[C@@H]1CCC[C@H](OC)C1 ZINC001172941932 815553057 /nfs/dbraw/zinc/55/30/57/815553057.db2.gz MBIGVORRIYLUQL-CABCVRRESA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001050393368 812813360 /nfs/dbraw/zinc/81/33/60/812813360.db2.gz UAMPGAWEPCKYST-LDKKBFSKSA-N 2 1 295.471 2.144 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132269417 812816321 /nfs/dbraw/zinc/81/63/21/812816321.db2.gz JTNGVYYYIQGIIK-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CC/C=C/CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277028 812818203 /nfs/dbraw/zinc/81/82/03/812818203.db2.gz AFWMWOSMFJUAFP-BUWFCSEKSA-N 2 1 295.471 2.264 20 0 CEADMP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001052244058 812953832 /nfs/dbraw/zinc/95/38/32/812953832.db2.gz FQUDWHQCNALMJT-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052244058 812953839 /nfs/dbraw/zinc/95/38/39/812953839.db2.gz FQUDWHQCNALMJT-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052244058 812953843 /nfs/dbraw/zinc/95/38/43/812953843.db2.gz FQUDWHQCNALMJT-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001052244066 812954869 /nfs/dbraw/zinc/95/48/69/812954869.db2.gz FQUDWHQCNALMJT-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052244066 812954872 /nfs/dbraw/zinc/95/48/72/812954872.db2.gz FQUDWHQCNALMJT-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052244066 812954874 /nfs/dbraw/zinc/95/48/74/812954874.db2.gz FQUDWHQCNALMJT-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CCC/C=C/CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886135 812957124 /nfs/dbraw/zinc/95/71/24/812957124.db2.gz DFRGZFVSEDFHNZ-MIVXPEEVSA-N 2 1 295.471 2.169 20 0 CEADMP CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132938506 812960169 /nfs/dbraw/zinc/96/01/69/812960169.db2.gz UZYNWKOQDUXJCK-HUUCEWRRSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052619413 813014036 /nfs/dbraw/zinc/01/40/36/813014036.db2.gz GPGVTSORRRIXTI-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+](Cc1c[nH]c2ncccc12)C1CC[NH+](C)CC1 ZINC001137396199 813027872 /nfs/dbraw/zinc/02/78/72/813027872.db2.gz CPCLAFKASBVRNO-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP C[N@@H+](Cc1c[nH]c2ncccc12)C1CC[NH+](C)CC1 ZINC001137396199 813027880 /nfs/dbraw/zinc/02/78/80/813027880.db2.gz CPCLAFKASBVRNO-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP C[N@H+]1CC[C@@H](Nc2ccc(Br)cc2C[NH3+])C1 ZINC001255419749 813106692 /nfs/dbraw/zinc/10/66/92/813106692.db2.gz BILFCXBQTKOQFK-LLVKDONJSA-N 2 1 284.201 2.024 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206188787 815578359 /nfs/dbraw/zinc/57/83/59/815578359.db2.gz VWYXVHGOKWZZGC-HUUCEWRRSA-N 2 1 266.360 2.094 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206188795 815578704 /nfs/dbraw/zinc/57/87/04/815578704.db2.gz VWYXVHGOKWZZGC-LSDHHAIUSA-N 2 1 266.360 2.094 20 0 CEADMP CC/C=C\CC[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133905453 813175135 /nfs/dbraw/zinc/17/51/35/813175135.db2.gz ALTBAHJPBYPAAS-FPLPWBNLSA-N 2 1 283.460 2.026 20 0 CEADMP CC1(C)[C@@H]2C[C@@H]([N@@H+](C3COC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170736888 813230630 /nfs/dbraw/zinc/23/06/30/813230630.db2.gz DXCCGEBWPFIKBX-DBHUPMKQSA-N 2 1 278.440 2.392 20 0 CEADMP CC/C=C/CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135095732 813364586 /nfs/dbraw/zinc/36/45/86/813364586.db2.gz OYEQNPBBMJMURI-WNEUIUNWSA-N 2 1 293.455 2.065 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071796643 813485713 /nfs/dbraw/zinc/48/57/13/813485713.db2.gz VGLCKXLQTZFPPB-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC=C(C)C ZINC001135860359 813548070 /nfs/dbraw/zinc/54/80/70/813548070.db2.gz ASGDVPXZNCVAJX-GJZGRUSLSA-N 2 1 283.460 2.167 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000396686948 813580842 /nfs/dbraw/zinc/58/08/42/813580842.db2.gz YRZUUPKKQDGLNN-CGTJXYLNSA-N 2 1 287.451 2.381 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CC1 ZINC001135996553 813583527 /nfs/dbraw/zinc/58/35/27/813583527.db2.gz SYTBWCHULZUDAD-LSDHHAIUSA-N 2 1 297.487 2.391 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170951292 813677033 /nfs/dbraw/zinc/67/70/33/813677033.db2.gz YDKGJGLIKUQAAJ-AWEZNQCLSA-N 2 1 273.355 2.478 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246091184 813680168 /nfs/dbraw/zinc/68/01/68/813680168.db2.gz GZBSTTHTSIMPEQ-ILXRZTDVSA-N 3 1 255.450 2.085 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2cccc(F)c2C1 ZINC001170970137 813709021 /nfs/dbraw/zinc/70/90/21/813709021.db2.gz KPIBTXUBDGUHHE-DGCLKSJQSA-N 2 1 250.361 2.210 20 0 CEADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCC[NH2+]3)CCO2)cc1 ZINC001246186108 813723685 /nfs/dbraw/zinc/72/36/85/813723685.db2.gz FAMRODQHVJQQSE-XHSDSOJGSA-N 2 1 260.381 2.248 20 0 CEADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Cl)cn1)CC2 ZINC001136931520 813796517 /nfs/dbraw/zinc/79/65/17/813796517.db2.gz DUPQEWKXOWOCSI-UHFFFAOYSA-N 2 1 265.788 2.263 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1ccnc1 ZINC001074073395 813800423 /nfs/dbraw/zinc/80/04/23/813800423.db2.gz WEMAHQSEIWNLHM-LSDHHAIUSA-N 2 1 292.427 2.167 20 0 CEADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001246550186 814000398 /nfs/dbraw/zinc/00/03/98/814000398.db2.gz JHPFBUPQVACIJG-CJNGLKHVSA-N 2 1 262.372 2.496 20 0 CEADMP C[C@H](Cc1ccncc1)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246552852 814016739 /nfs/dbraw/zinc/01/67/39/814016739.db2.gz WAKRFVMQFWFPAZ-UKRRQHHQSA-N 2 1 265.376 2.166 20 0 CEADMP CC(C)OC(=O)CC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246557306 814033338 /nfs/dbraw/zinc/03/33/38/814033338.db2.gz KNWCFACNGVBEMU-QLFBSQMISA-N 2 1 284.444 2.414 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001255955815 814060304 /nfs/dbraw/zinc/06/03/04/814060304.db2.gz FCVIVPPQROCCNR-GJZGRUSLSA-N 2 1 274.424 2.293 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CCO1 ZINC001246569066 814075417 /nfs/dbraw/zinc/07/54/17/814075417.db2.gz PNKXVVNVQMPDIV-KBUPBQIOSA-N 2 1 254.418 2.251 20 0 CEADMP CC[C@@H]1C[C@H]([N@@H+]2CC[C@@](N)(C(F)(F)F)C2)C[C@H](CC)[NH2+]1 ZINC001246570310 814080728 /nfs/dbraw/zinc/08/07/28/814080728.db2.gz PARVJUKLMBYSBZ-LOWDOPEQSA-N 2 1 293.377 2.261 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@](N)(C(F)(F)F)C2)C[C@H](CC)[NH2+]1 ZINC001246570310 814080734 /nfs/dbraw/zinc/08/07/34/814080734.db2.gz PARVJUKLMBYSBZ-LOWDOPEQSA-N 2 1 293.377 2.261 20 0 CEADMP c1[nH+]c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c2ccccn12 ZINC001144621881 814130858 /nfs/dbraw/zinc/13/08/58/814130858.db2.gz AXXMUEYRKCKHDL-CQSZACIVSA-N 2 1 270.380 2.004 20 0 CEADMP c1[nH+]c(CN2CC[N@H+]3CCCC[C@@H]3C2)c2ccccn12 ZINC001144621881 814130863 /nfs/dbraw/zinc/13/08/63/814130863.db2.gz AXXMUEYRKCKHDL-CQSZACIVSA-N 2 1 270.380 2.004 20 0 CEADMP c1[nH+]c(CN2CC[C@@H]([NH+]3CCCC3)C2)c2ccccn12 ZINC001144622247 814132922 /nfs/dbraw/zinc/13/29/22/814132922.db2.gz HKJFIGCMTOVWMS-CQSZACIVSA-N 2 1 270.380 2.004 20 0 CEADMP COC(=O)C1(C)CCC([N@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC001246580523 814149499 /nfs/dbraw/zinc/14/94/99/814149499.db2.gz GXRYOVZVFGGKBW-HLIUYOAVSA-N 2 1 282.428 2.169 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246580124 814150702 /nfs/dbraw/zinc/15/07/02/814150702.db2.gz VZABQMFDLKLFIG-JYJNAYRXSA-N 3 1 267.461 2.214 20 0 CEADMP CC1(C)C[C@@H]([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CCO1 ZINC001246584564 814164685 /nfs/dbraw/zinc/16/46/85/814164685.db2.gz XMPYHXXOXYJMIY-GXTWGEPZSA-N 2 1 258.381 2.097 20 0 CEADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@@](F)(C[NH3+])C2)CCO1 ZINC001246584564 814164690 /nfs/dbraw/zinc/16/46/90/814164690.db2.gz XMPYHXXOXYJMIY-GXTWGEPZSA-N 2 1 258.381 2.097 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(F)(F)[C@H](N)C1 ZINC001246585510 814166157 /nfs/dbraw/zinc/16/61/57/814166157.db2.gz XQVJRMJTBJJHEN-QWHCGFSZSA-N 2 1 277.403 2.165 20 0 CEADMP CC(C)CC[C@@H](C)N1CC[NH+](CCCC[NH3+])CC1 ZINC001256360451 814238189 /nfs/dbraw/zinc/23/81/89/814238189.db2.gz GXLJRGNBXARHNU-OAHLLOKOSA-N 2 1 255.450 2.168 20 0 CEADMP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146331877 814275383 /nfs/dbraw/zinc/27/53/83/814275383.db2.gz DRBMPKCUXRVYAU-KBPBESRZSA-N 2 1 294.443 2.255 20 0 CEADMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCC(C)C)C[C@H]1C ZINC001102497463 814390456 /nfs/dbraw/zinc/39/04/56/814390456.db2.gz ULWSDNYIIMXVTL-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C ZINC001102497463 814390463 /nfs/dbraw/zinc/39/04/63/814390463.db2.gz ULWSDNYIIMXVTL-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001102497463 814390471 /nfs/dbraw/zinc/39/04/71/814390471.db2.gz ULWSDNYIIMXVTL-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP C[C@@H]1C[C@@H](NC(C)(C)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256522010 814467942 /nfs/dbraw/zinc/46/79/42/814467942.db2.gz GSXNTQGBWGFHDH-ZBFHGGJFSA-N 2 1 275.440 2.366 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([N@H+](C2CCC2)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246972568 814475942 /nfs/dbraw/zinc/47/59/42/814475942.db2.gz CPVMRHWGFSPYFO-IRXDYDNUSA-N 3 1 279.472 2.370 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([N@@H+](C2CCC2)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246972568 814475947 /nfs/dbraw/zinc/47/59/47/814475947.db2.gz CPVMRHWGFSPYFO-IRXDYDNUSA-N 3 1 279.472 2.370 20 0 CEADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCC1CCCC1 ZINC001161052925 814483724 /nfs/dbraw/zinc/48/37/24/814483724.db2.gz PHIIZGYNJGJUHZ-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCCC1CCCC1 ZINC001148639011 814599453 /nfs/dbraw/zinc/59/94/53/814599453.db2.gz XLKKZGJYXBOSBX-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP C[NH+]1CCC2(CC1)CC[NH+](CC(=O)OC(C)(C)C)CC2 ZINC000691909300 814601220 /nfs/dbraw/zinc/60/12/20/814601220.db2.gz BOLUHBOONVGPEV-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CCC)C2 ZINC001111951028 814634695 /nfs/dbraw/zinc/63/46/95/814634695.db2.gz PEDIZPGFMKVYSO-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC)C2 ZINC001111951028 814634697 /nfs/dbraw/zinc/63/46/97/814634697.db2.gz PEDIZPGFMKVYSO-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC)C2 ZINC001111951028 814634699 /nfs/dbraw/zinc/63/46/99/814634699.db2.gz PEDIZPGFMKVYSO-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC)C1CCC([NH2+]Cc2noc(C)n2)CC1 ZINC001173105248 815581618 /nfs/dbraw/zinc/58/16/18/815581618.db2.gz JBHIAYILPMAQTM-UHFFFAOYSA-N 2 1 266.389 2.121 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC001173110238 815582760 /nfs/dbraw/zinc/58/27/60/815582760.db2.gz QIDXFXKQLLUHHB-PFSRBDOWSA-N 2 1 272.408 2.044 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001173113424 815584700 /nfs/dbraw/zinc/58/47/00/815584700.db2.gz PXTGVWDVOXWMGF-SLTXQBBLSA-N 2 1 266.429 2.360 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3ncsc3C2)C1 ZINC001173123538 815588538 /nfs/dbraw/zinc/58/85/38/815588538.db2.gz FDKAGCQBJCCIIR-CHWSQXEVSA-N 2 1 279.453 2.322 20 0 CEADMP [NH3+]C[C@@H]1COc2ccccc2N1c1ccc2[nH]c[nH+]c2c1 ZINC001171395268 814867278 /nfs/dbraw/zinc/86/72/78/814867278.db2.gz DZBRDIPQOPJYLD-GFCCVEGCSA-N 2 1 280.331 2.421 20 0 CEADMP C[N@@H+](Cc1ccccc1)C1(CNC(N)=[NH2+])CCCCC1 ZINC000714220151 814889231 /nfs/dbraw/zinc/88/92/31/814889231.db2.gz FNTNRPSHQQCZNR-UHFFFAOYSA-N 2 1 274.412 2.304 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)O2)[C@H](C[NH3+])C1 ZINC000714330055 814894908 /nfs/dbraw/zinc/89/49/08/814894908.db2.gz IUDSBZAZTTUCFX-RDBSUJKOSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)O2)[C@H](C[NH3+])C1 ZINC000714330055 814894911 /nfs/dbraw/zinc/89/49/11/814894911.db2.gz IUDSBZAZTTUCFX-RDBSUJKOSA-N 2 1 254.418 2.393 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000714381679 814898216 /nfs/dbraw/zinc/89/82/16/814898216.db2.gz XFOOKSIBMYRXEP-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)O1 ZINC000714382123 814900160 /nfs/dbraw/zinc/90/01/60/814900160.db2.gz ZWLBBBZOIGVRIP-MGPQQGTHSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC(C)(C)O2)CC[N@H+]1C ZINC000714369534 814900425 /nfs/dbraw/zinc/90/04/25/814900425.db2.gz WEJZIQQLCVSNHU-HZSPNIEDSA-N 2 1 254.418 2.406 20 0 CEADMP CC[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C1 ZINC001173280440 815668921 /nfs/dbraw/zinc/66/89/21/815668921.db2.gz PAKYJUNQJVHZOX-LTIDMASMSA-N 2 1 279.472 2.275 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CCC([NH3+])(Cc3ccccc3)CC2)C1 ZINC001173353494 815694660 /nfs/dbraw/zinc/69/46/60/815694660.db2.gz DXDVSRYJWIYFQI-QGZVFWFLSA-N 2 1 287.451 2.117 20 0 CEADMP CC[N@H+]1CC[C@H](Nc2ccc(Br)cc2C[NH3+])C1 ZINC001173354505 815694719 /nfs/dbraw/zinc/69/47/19/815694719.db2.gz OBRCIENNZHHKCR-LBPRGKRZSA-N 2 1 298.228 2.414 20 0 CEADMP CC[N@H+]1CC[C@@H](n2ccc3cc(CC[NH3+])ccc32)C1 ZINC001173357146 815698409 /nfs/dbraw/zinc/69/84/09/815698409.db2.gz IKSDOVQDDLKKIO-OAHLLOKOSA-N 2 1 257.381 2.409 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[NH+](C3CCCCC3)[C@@H](C)C2)C1 ZINC001173367392 815705465 /nfs/dbraw/zinc/70/54/65/815705465.db2.gz HYQMUHSYFCYUNT-RDJZCZTQSA-N 2 1 279.472 2.419 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[N@@H+](C3CCCCC3)[C@@H](C)C2)C1 ZINC001173367392 815705469 /nfs/dbraw/zinc/70/54/69/815705469.db2.gz HYQMUHSYFCYUNT-RDJZCZTQSA-N 2 1 279.472 2.419 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[N@H+](C3CCCCC3)[C@@H](C)C2)C1 ZINC001173367392 815705475 /nfs/dbraw/zinc/70/54/75/815705475.db2.gz HYQMUHSYFCYUNT-RDJZCZTQSA-N 2 1 279.472 2.419 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001173453778 815735880 /nfs/dbraw/zinc/73/58/80/815735880.db2.gz NIFFGCBRSCEYBH-ZDUSSCGKSA-N 2 1 282.428 2.325 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001173619989 815764170 /nfs/dbraw/zinc/76/41/70/815764170.db2.gz DKIMFVXGGCXDFQ-RBSFLKMASA-N 2 1 282.428 2.040 20 0 CEADMP COc1ccc(F)cc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001138375912 815780811 /nfs/dbraw/zinc/78/08/11/815780811.db2.gz IWCROZNTQMMASE-UHFFFAOYSA-N 2 1 278.371 2.362 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001173665427 815782592 /nfs/dbraw/zinc/78/25/92/815782592.db2.gz SZMPCTKRUAPMAA-ZBFHGGJFSA-N 2 1 294.439 2.278 20 0 CEADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3OC)C[C@H]2C1 ZINC001138488727 815810750 /nfs/dbraw/zinc/81/07/50/815810750.db2.gz ILGSPBJNKODCQP-HZPDHXFCSA-N 2 1 274.408 2.387 20 0 CEADMP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138544067 815823060 /nfs/dbraw/zinc/82/30/60/815823060.db2.gz BLURZFRNPSMLEL-OAHLLOKOSA-N 2 1 299.374 2.176 20 0 CEADMP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138544067 815823066 /nfs/dbraw/zinc/82/30/66/815823066.db2.gz BLURZFRNPSMLEL-OAHLLOKOSA-N 2 1 299.374 2.176 20 0 CEADMP COc1[nH+]ccc(N)c1Nc1ccccc1C[NH+](C)C ZINC001173930284 815863458 /nfs/dbraw/zinc/86/34/58/815863458.db2.gz SPBOYLNYMIMTAI-UHFFFAOYSA-N 2 1 272.352 2.478 20 0 CEADMP CNc1ncccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001138695871 815872377 /nfs/dbraw/zinc/87/23/77/815872377.db2.gz HTEOGBZGIJATSM-UHFFFAOYSA-N 2 1 274.412 2.041 20 0 CEADMP Cc1cc(F)ncc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276395410 815879437 /nfs/dbraw/zinc/87/94/37/815879437.db2.gz ILGGZTVYOFOBFV-OKILXGFUSA-N 2 1 277.387 2.303 20 0 CEADMP Cc1cc(F)ncc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276395410 815879443 /nfs/dbraw/zinc/87/94/43/815879443.db2.gz ILGGZTVYOFOBFV-OKILXGFUSA-N 2 1 277.387 2.303 20 0 CEADMP Cc1cc(F)ncc1C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276395410 815879451 /nfs/dbraw/zinc/87/94/51/815879451.db2.gz ILGGZTVYOFOBFV-OKILXGFUSA-N 2 1 277.387 2.303 20 0 CEADMP CC1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)s2)CC1 ZINC001139319685 816002935 /nfs/dbraw/zinc/00/29/35/816002935.db2.gz LQXYAXQKMOOOCX-UHFFFAOYSA-N 2 1 294.468 2.127 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC)CC1 ZINC001202973389 816115880 /nfs/dbraw/zinc/11/58/80/816115880.db2.gz GILWLURBBAAGQP-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175271410 816166169 /nfs/dbraw/zinc/16/61/69/816166169.db2.gz BDDJSECOQYKYTN-OAHLLOKOSA-N 2 1 297.487 2.393 20 0 CEADMP C[NH+]1CCC2(C[NH+](Cc3cc(Cl)ccc3N)C2)CC1 ZINC001140718331 816334238 /nfs/dbraw/zinc/33/42/38/816334238.db2.gz VVSBTCHZLUEUFU-UHFFFAOYSA-N 2 1 279.815 2.450 20 0 CEADMP CC(C)[NH+]1CCN(Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140799620 816359471 /nfs/dbraw/zinc/35/94/71/816359471.db2.gz JBHLOFWDFJLMBW-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001140805047 816364331 /nfs/dbraw/zinc/36/43/31/816364331.db2.gz PSGPUZVUIJTVJX-HNNXBMFYSA-N 2 1 257.337 2.318 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@@]12CCOC2 ZINC001140805047 816364341 /nfs/dbraw/zinc/36/43/41/816364341.db2.gz PSGPUZVUIJTVJX-HNNXBMFYSA-N 2 1 257.337 2.318 20 0 CEADMP C[N@@H+](Cc1c[nH]c2ccncc12)[C@H]1CCC2(C1)OCCO2 ZINC001140806042 816368275 /nfs/dbraw/zinc/36/82/75/816368275.db2.gz UZQYQWDEVBXRHV-ZDUSSCGKSA-N 2 1 287.363 2.290 20 0 CEADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)[C@H]1CCC2(C1)OCCO2 ZINC001140806042 816368290 /nfs/dbraw/zinc/36/82/90/816368290.db2.gz UZQYQWDEVBXRHV-ZDUSSCGKSA-N 2 1 287.363 2.290 20 0 CEADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)[C@H]1CCC2(C1)OCCO2 ZINC001140806042 816368297 /nfs/dbraw/zinc/36/82/97/816368297.db2.gz UZQYQWDEVBXRHV-ZDUSSCGKSA-N 2 1 287.363 2.290 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176971885 816503043 /nfs/dbraw/zinc/50/30/43/816503043.db2.gz KJGHGVJFDXQULR-OAHLLOKOSA-N 2 1 285.476 2.105 20 0 CEADMP COc1ccsc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001141323057 816522348 /nfs/dbraw/zinc/52/23/48/816522348.db2.gz LTAAQYACMKHSDI-NEPJUHHUSA-N 2 1 266.410 2.140 20 0 CEADMP COc1ccsc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001141323057 816522352 /nfs/dbraw/zinc/52/23/52/816522352.db2.gz LTAAQYACMKHSDI-NEPJUHHUSA-N 2 1 266.410 2.140 20 0 CEADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001177266863 816542294 /nfs/dbraw/zinc/54/22/94/816542294.db2.gz LMXRCSRHPGWIGS-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP c1ccc2c(c1)C[C@@H](C[NH2+]C1CC[NH+](C3CC3)CC1)CO2 ZINC000838893034 816556153 /nfs/dbraw/zinc/55/61/53/816556153.db2.gz YTMRLFLSZUQISA-AWEZNQCLSA-N 2 1 286.419 2.454 20 0 CEADMP CNc1ncccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304350 816565841 /nfs/dbraw/zinc/56/58/41/816565841.db2.gz JBTNPDLXIGYBJE-OAHLLOKOSA-N 2 1 262.401 2.074 20 0 CEADMP Cc1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)c(C)s1 ZINC001177479109 816573406 /nfs/dbraw/zinc/57/34/06/816573406.db2.gz FOKJUICVKNZJRT-UHFFFAOYSA-N 2 1 282.453 2.301 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC001141958641 816603945 /nfs/dbraw/zinc/60/39/45/816603945.db2.gz QNEIOWPSDGHBBS-UHFFFAOYSA-N 2 1 288.391 2.333 20 0 CEADMP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178361219 816732307 /nfs/dbraw/zinc/73/23/07/816732307.db2.gz VXRKPLRXQFAUKT-HKAJFOIISA-N 2 1 293.455 2.016 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178527424 816758527 /nfs/dbraw/zinc/75/85/27/816758527.db2.gz LOEXWCMVFXPDEW-LSDHHAIUSA-N 2 1 283.460 2.003 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCN2CCCC2=O)CC1 ZINC000350628594 219041484 /nfs/dbraw/zinc/04/14/84/219041484.db2.gz JNHLYKZLHYYNRW-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CC1=C(C)C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000337462874 214097746 /nfs/dbraw/zinc/09/77/46/214097746.db2.gz LFFVXFIMXJDNLZ-UHFFFAOYSA-N 2 1 279.472 2.445 20 0 CEADMP COc1cc(C)ccc1C[NH2+]CCn1cc[nH+]c1C ZINC000449108746 282103202 /nfs/dbraw/zinc/10/32/02/282103202.db2.gz SPQTZHAMHPSGLB-UHFFFAOYSA-N 2 1 259.353 2.298 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)o1 ZINC000567639965 299069763 /nfs/dbraw/zinc/06/97/63/299069763.db2.gz NJWNYKKXNQMWQJ-MGPQQGTHSA-N 2 1 263.385 2.247 20 0 CEADMP C[NH2+]CCC[N@H+](C)CCOc1ccccc1Cl ZINC000124933668 187162210 /nfs/dbraw/zinc/16/22/10/187162210.db2.gz OAWFGFSZOHFUJD-UHFFFAOYSA-N 2 1 256.777 2.260 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCOc1ccccc1Cl ZINC000124933668 187162211 /nfs/dbraw/zinc/16/22/11/187162211.db2.gz OAWFGFSZOHFUJD-UHFFFAOYSA-N 2 1 256.777 2.260 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCC2(CCCCC2)CC1 ZINC000342094827 282117868 /nfs/dbraw/zinc/11/78/68/282117868.db2.gz GJBLWECYHFZDDA-HNNXBMFYSA-N 2 1 268.445 2.392 20 0 CEADMP Cc1noc(C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000124981399 187164078 /nfs/dbraw/zinc/16/40/78/187164078.db2.gz BQTDMHWFMAKDPM-AWEZNQCLSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1noc(C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000124981399 187164079 /nfs/dbraw/zinc/16/40/79/187164079.db2.gz BQTDMHWFMAKDPM-AWEZNQCLSA-N 2 1 278.400 2.042 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000124992107 187164251 /nfs/dbraw/zinc/16/42/51/187164251.db2.gz MSCPUUSYOMQMOU-UHFFFAOYSA-N 2 1 284.787 2.153 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000124992107 187164252 /nfs/dbraw/zinc/16/42/52/187164252.db2.gz MSCPUUSYOMQMOU-UHFFFAOYSA-N 2 1 284.787 2.153 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)no1 ZINC000336574848 365664518 /nfs/dbraw/zinc/66/45/18/365664518.db2.gz PTSSLPPCPMWFJM-CQSZACIVSA-N 2 1 263.385 2.147 20 0 CEADMP CCOc1cncc(C[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000621326075 349561647 /nfs/dbraw/zinc/56/16/47/349561647.db2.gz WYEBJVNSVIXKMS-UHFFFAOYSA-N 2 1 265.401 2.158 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCOCC1CC1 ZINC000036908347 361870158 /nfs/dbraw/zinc/87/01/58/361870158.db2.gz WMLBMJCYDJTXSS-UMVBOHGHSA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000037644607 361917143 /nfs/dbraw/zinc/91/71/43/361917143.db2.gz MVPPBSRTUCNLPH-MRXNPFEDSA-N 2 1 284.407 2.304 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621651582 349649994 /nfs/dbraw/zinc/64/99/94/349649994.db2.gz MPQUETPXPIDIHH-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1nccnc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000621719796 349676732 /nfs/dbraw/zinc/67/67/32/349676732.db2.gz WSSXSKZXRBPYDU-RHSMWYFYSA-N 2 1 286.423 2.234 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)s1 ZINC000090408397 539186371 /nfs/dbraw/zinc/18/63/71/539186371.db2.gz XVMOYYKOZYUOSV-ZDUSSCGKSA-N 2 1 296.484 2.130 20 0 CEADMP CC(=O)N1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)c2ccccc21 ZINC000621760039 349694451 /nfs/dbraw/zinc/69/44/51/349694451.db2.gz DJBIDCOTPJIVAD-MRXNPFEDSA-N 2 1 298.390 2.050 20 0 CEADMP CC1CC(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000621738369 349689318 /nfs/dbraw/zinc/68/93/18/349689318.db2.gz DKYVNAAQGYIXIF-ZBCRRDGASA-N 2 1 266.429 2.266 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1)C1CCCCC1 ZINC000621784251 349702348 /nfs/dbraw/zinc/70/23/48/349702348.db2.gz LWEBNTUBHYXWKQ-OAGGEKHMSA-N 2 1 266.429 2.395 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccn1 ZINC000621776227 349697877 /nfs/dbraw/zinc/69/78/77/349697877.db2.gz GMLYQFLNTGABCD-GVDBMIGSSA-N 2 1 289.423 2.251 20 0 CEADMP C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000092017218 539229393 /nfs/dbraw/zinc/22/93/93/539229393.db2.gz IAJXVAPNCFPZNH-CABCVRRESA-N 2 1 292.423 2.236 20 0 CEADMP C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000092017218 539229394 /nfs/dbraw/zinc/22/93/94/539229394.db2.gz IAJXVAPNCFPZNH-CABCVRRESA-N 2 1 292.423 2.236 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)(C)C)[NH2+]C)C[C@H]1C ZINC000449365982 282202346 /nfs/dbraw/zinc/20/23/46/282202346.db2.gz QOALTJALZVAQMX-ILXRZTDVSA-N 2 1 297.487 2.342 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000122584516 282204583 /nfs/dbraw/zinc/20/45/83/282204583.db2.gz ICEDJUPEMZVGMM-UHFFFAOYSA-N 3 1 290.455 2.389 20 0 CEADMP C[C@@H](CO)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000309803357 539273135 /nfs/dbraw/zinc/27/31/35/539273135.db2.gz YNYNEGOWCQJUGZ-NVXWUHKLSA-N 2 1 276.424 2.069 20 0 CEADMP C[C@@H](CO)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309803357 539273136 /nfs/dbraw/zinc/27/31/36/539273136.db2.gz YNYNEGOWCQJUGZ-NVXWUHKLSA-N 2 1 276.424 2.069 20 0 CEADMP C[C@@H](CO)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309803357 539273137 /nfs/dbraw/zinc/27/31/37/539273137.db2.gz YNYNEGOWCQJUGZ-NVXWUHKLSA-N 2 1 276.424 2.069 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](CC(=O)c2cccn2C)CC1 ZINC000350943975 219071876 /nfs/dbraw/zinc/07/18/76/219071876.db2.gz SQGLHPBBTJXLKZ-UHFFFAOYSA-N 2 1 291.439 2.262 20 0 CEADMP CC[C@@H](C)C[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350948501 219072021 /nfs/dbraw/zinc/07/20/21/219072021.db2.gz ILNIQIWDUBZGJP-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000335526313 212217395 /nfs/dbraw/zinc/21/73/95/212217395.db2.gz FRAGPECSSGRYKP-CHWSQXEVSA-N 2 1 290.411 2.010 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000336625629 365737714 /nfs/dbraw/zinc/73/77/14/365737714.db2.gz FFBFIPVSFJLTDU-NHYWBVRUSA-N 2 1 278.444 2.424 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000336625629 365737719 /nfs/dbraw/zinc/73/77/19/365737719.db2.gz FFBFIPVSFJLTDU-NHYWBVRUSA-N 2 1 278.444 2.424 20 0 CEADMP CC(C)CCO[C@@H]1CCN(Cc2cnc3n2CCC3)C1 ZINC000668873668 539291094 /nfs/dbraw/zinc/29/10/94/539291094.db2.gz VWOGYBXADZOJAC-OAHLLOKOSA-N 2 1 277.412 2.466 20 0 CEADMP FC(F)(F)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000043497730 362145605 /nfs/dbraw/zinc/14/56/05/362145605.db2.gz CDLFQIIOFPJFIR-LLVKDONJSA-N 2 1 250.308 2.260 20 0 CEADMP CC[C@H]1C[C@H](C[N@@H+](C)CCCN(C)CC[NH+](C)C)CCO1 ZINC000567794995 299092035 /nfs/dbraw/zinc/09/20/35/299092035.db2.gz SNOSQRIFCMERIJ-SJORKVTESA-N 2 1 299.503 2.007 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000262035666 282249016 /nfs/dbraw/zinc/24/90/16/282249016.db2.gz XQCZZIGWTHTAHL-LRDDRELGSA-N 2 1 299.422 2.053 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000262035666 282249021 /nfs/dbraw/zinc/24/90/21/282249021.db2.gz XQCZZIGWTHTAHL-LRDDRELGSA-N 2 1 299.422 2.053 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000346166966 282250695 /nfs/dbraw/zinc/25/06/95/282250695.db2.gz JKABWKSNWCRCCA-MRXNPFEDSA-N 2 1 286.379 2.187 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CF)CCOCC2)[C@@H](C)C1 ZINC000449489369 282256210 /nfs/dbraw/zinc/25/62/10/282256210.db2.gz RBPYCHRVZZKTHK-KBPBESRZSA-N 2 1 272.408 2.073 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000040622244 343437818 /nfs/dbraw/zinc/43/78/18/343437818.db2.gz VHKFFKRXEUFPEE-OAHLLOKOSA-N 2 1 290.407 2.278 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCCO ZINC000081013288 344033366 /nfs/dbraw/zinc/03/33/66/344033366.db2.gz DHVMKLDGJSVQNS-WBVHZDCISA-N 2 1 276.424 2.211 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCCO ZINC000081013288 344033368 /nfs/dbraw/zinc/03/33/68/344033368.db2.gz DHVMKLDGJSVQNS-WBVHZDCISA-N 2 1 276.424 2.211 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCCO ZINC000081013288 344033371 /nfs/dbraw/zinc/03/33/71/344033371.db2.gz DHVMKLDGJSVQNS-WBVHZDCISA-N 2 1 276.424 2.211 20 0 CEADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCCO ZINC000081013288 344033374 /nfs/dbraw/zinc/03/33/74/344033374.db2.gz DHVMKLDGJSVQNS-WBVHZDCISA-N 2 1 276.424 2.211 20 0 CEADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCCO ZINC000081013288 344033376 /nfs/dbraw/zinc/03/33/76/344033376.db2.gz DHVMKLDGJSVQNS-WBVHZDCISA-N 2 1 276.424 2.211 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000044535447 343474027 /nfs/dbraw/zinc/47/40/27/343474027.db2.gz BNWFFTDJYJMMOH-CYBMUJFWSA-N 2 1 266.360 2.266 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000044535447 343474030 /nfs/dbraw/zinc/47/40/30/343474030.db2.gz BNWFFTDJYJMMOH-CYBMUJFWSA-N 2 1 266.360 2.266 20 0 CEADMP CCC[N@H+](CC)CC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000156801059 136386933 /nfs/dbraw/zinc/38/69/33/136386933.db2.gz DCIIXYYWMYHKBH-UHFFFAOYSA-N 2 1 290.455 2.372 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000156801059 136386934 /nfs/dbraw/zinc/38/69/34/136386934.db2.gz DCIIXYYWMYHKBH-UHFFFAOYSA-N 2 1 290.455 2.372 20 0 CEADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(C)COC1 ZINC000336703042 365767041 /nfs/dbraw/zinc/76/70/41/365767041.db2.gz FTNOVUXNRBJQRY-KRWDZBQOSA-N 2 1 288.435 2.477 20 0 CEADMP CCc1ncc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000414432694 529753379 /nfs/dbraw/zinc/75/33/79/529753379.db2.gz JOVAICKLWNBFJP-UHFFFAOYSA-N 2 1 274.412 2.099 20 0 CEADMP CCc1ncc(C[N@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000414432694 529753380 /nfs/dbraw/zinc/75/33/80/529753380.db2.gz JOVAICKLWNBFJP-UHFFFAOYSA-N 2 1 274.412 2.099 20 0 CEADMP CS[C@H](C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336716352 365779937 /nfs/dbraw/zinc/77/99/37/365779937.db2.gz WDXBOJFWWLBYBU-SECBINFHSA-N 2 1 259.444 2.046 20 0 CEADMP CCc1nocc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000351483586 219102249 /nfs/dbraw/zinc/10/22/49/219102249.db2.gz ONOSXDNVNNIUFA-UHFFFAOYSA-N 2 1 288.395 2.425 20 0 CEADMP CCC(CC)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000567968574 299102140 /nfs/dbraw/zinc/10/21/40/299102140.db2.gz POCINJRYSCYCIN-HNNXBMFYSA-N 2 1 254.418 2.095 20 0 CEADMP CCC(CC)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000567968574 299102144 /nfs/dbraw/zinc/10/21/44/299102144.db2.gz POCINJRYSCYCIN-HNNXBMFYSA-N 2 1 254.418 2.095 20 0 CEADMP CCC(CC)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000567968574 299102146 /nfs/dbraw/zinc/10/21/46/299102146.db2.gz POCINJRYSCYCIN-HNNXBMFYSA-N 2 1 254.418 2.095 20 0 CEADMP CCC(CC)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000567968574 299102149 /nfs/dbraw/zinc/10/21/49/299102149.db2.gz POCINJRYSCYCIN-HNNXBMFYSA-N 2 1 254.418 2.095 20 0 CEADMP CCC(CC)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000567968575 299102428 /nfs/dbraw/zinc/10/24/28/299102428.db2.gz POCINJRYSCYCIN-OAHLLOKOSA-N 2 1 254.418 2.095 20 0 CEADMP CCC(CC)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000567968575 299102432 /nfs/dbraw/zinc/10/24/32/299102432.db2.gz POCINJRYSCYCIN-OAHLLOKOSA-N 2 1 254.418 2.095 20 0 CEADMP CCC(CC)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000567968575 299102434 /nfs/dbraw/zinc/10/24/34/299102434.db2.gz POCINJRYSCYCIN-OAHLLOKOSA-N 2 1 254.418 2.095 20 0 CEADMP CCC(CC)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000567968575 299102436 /nfs/dbraw/zinc/10/24/36/299102436.db2.gz POCINJRYSCYCIN-OAHLLOKOSA-N 2 1 254.418 2.095 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccncc2)C[C@@H]1C ZINC000351518187 219112318 /nfs/dbraw/zinc/11/23/18/219112318.db2.gz LRTWZRWLZXQLFX-GOEBONIOSA-N 2 1 261.413 2.429 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccncc2)C[C@@H]1C ZINC000351518187 219112320 /nfs/dbraw/zinc/11/23/20/219112320.db2.gz LRTWZRWLZXQLFX-GOEBONIOSA-N 2 1 261.413 2.429 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccncc2)C[C@@H]1C ZINC000351518187 219112321 /nfs/dbraw/zinc/11/23/21/219112321.db2.gz LRTWZRWLZXQLFX-GOEBONIOSA-N 2 1 261.413 2.429 20 0 CEADMP CCC[C@@H](C)[C@@H](CC)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128112068 187352167 /nfs/dbraw/zinc/35/21/67/187352167.db2.gz ULEAVDPORSYUTP-OWCLPIDISA-N 2 1 297.487 2.378 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000128127640 187353162 /nfs/dbraw/zinc/35/31/62/187353162.db2.gz MXUUPZOFCZZWIY-BZUAXINKSA-N 2 1 278.371 2.076 20 0 CEADMP Cc1nn2c(C[NH2+]C3CC[NH2+]CC3)c(C(C)C)nc2s1 ZINC000333117939 282306511 /nfs/dbraw/zinc/30/65/11/282306511.db2.gz HSWKVEIRKBPLGM-UHFFFAOYSA-N 2 1 293.440 2.064 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CCC1(O)CCC1 ZINC000411116170 529931702 /nfs/dbraw/zinc/93/17/02/529931702.db2.gz PRRXUUXUEGGQQP-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CCC1(O)CCC1 ZINC000411116170 529931703 /nfs/dbraw/zinc/93/17/03/529931703.db2.gz PRRXUUXUEGGQQP-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CCC1(O)CCC1 ZINC000411116170 529931704 /nfs/dbraw/zinc/93/17/04/529931704.db2.gz PRRXUUXUEGGQQP-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP Cc1cccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]1 ZINC000077316552 343916610 /nfs/dbraw/zinc/91/66/10/343916610.db2.gz LRZKKCMJGDTBBB-CQSZACIVSA-N 2 1 275.396 2.303 20 0 CEADMP CCOCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632297 344060220 /nfs/dbraw/zinc/06/02/20/344060220.db2.gz UJCPINOONOLOCL-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CCOCCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081632297 344060221 /nfs/dbraw/zinc/06/02/21/344060221.db2.gz UJCPINOONOLOCL-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CCOCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081632297 344060222 /nfs/dbraw/zinc/06/02/22/344060222.db2.gz UJCPINOONOLOCL-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[N@@H+](CCCOCC(F)(F)F)C1CC[NH2+]CC1 ZINC000049313064 362353071 /nfs/dbraw/zinc/35/30/71/362353071.db2.gz KRKHTICZKMAJBE-UHFFFAOYSA-N 2 1 282.350 2.419 20 0 CEADMP CCOC(=O)C1(C)CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000092837250 344205131 /nfs/dbraw/zinc/20/51/31/344205131.db2.gz QFEXYNQVPIUDRW-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)C1(C)CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000092837250 344205133 /nfs/dbraw/zinc/20/51/33/344205133.db2.gz QFEXYNQVPIUDRW-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP Cc1noc(C)c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000112144980 344273050 /nfs/dbraw/zinc/27/30/50/344273050.db2.gz ALIKBXMSAHDSET-UHFFFAOYSA-N 2 1 272.352 2.009 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000126907727 344327070 /nfs/dbraw/zinc/32/70/70/344327070.db2.gz RLBKVUAWJGBIQB-STQMWFEESA-N 2 1 255.365 2.404 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@H+]1C ZINC000164947852 344473297 /nfs/dbraw/zinc/47/32/97/344473297.db2.gz ZBDLOIGMBZSCAS-UKRRQHHQSA-N 2 1 275.396 2.088 20 0 CEADMP CCC1(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCCC1 ZINC000311188824 344733310 /nfs/dbraw/zinc/73/33/10/344733310.db2.gz CTJOXXUAJXLJFV-CQSZACIVSA-N 2 1 254.418 2.002 20 0 CEADMP CCC1(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCCC1 ZINC000311188824 344733313 /nfs/dbraw/zinc/73/33/13/344733313.db2.gz CTJOXXUAJXLJFV-CQSZACIVSA-N 2 1 254.418 2.002 20 0 CEADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449759581 282357686 /nfs/dbraw/zinc/35/76/86/282357686.db2.gz YQPUWTYZZZPMSD-BYNSBNAKSA-N 2 1 252.402 2.160 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000568050834 299113608 /nfs/dbraw/zinc/11/36/08/299113608.db2.gz IDIPSDSVKSJEKT-SUMWQHHRSA-N 2 1 274.408 2.332 20 0 CEADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000584767781 344984322 /nfs/dbraw/zinc/98/43/22/344984322.db2.gz IKHIFQLKJBDIAS-DOMZBBRYSA-N 2 1 293.386 2.275 20 0 CEADMP CCN(CCC[NH+](CC)CC)Cc1c[nH+]c(C)n1C ZINC000668165331 539431237 /nfs/dbraw/zinc/43/12/37/539431237.db2.gz UMOHNFWLQOYGGA-UHFFFAOYSA-N 2 1 266.433 2.282 20 0 CEADMP CC[C@@H](O)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000127371605 187300107 /nfs/dbraw/zinc/30/01/07/187300107.db2.gz XYUAXUIMVUEMKM-QGZVFWFLSA-N 2 1 276.424 2.402 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589647113 345092188 /nfs/dbraw/zinc/09/21/88/345092188.db2.gz JUBQWAVAJITORH-CYBMUJFWSA-N 2 1 272.396 2.384 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589647113 345092192 /nfs/dbraw/zinc/09/21/92/345092192.db2.gz JUBQWAVAJITORH-CYBMUJFWSA-N 2 1 272.396 2.384 20 0 CEADMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591866980 345289428 /nfs/dbraw/zinc/28/94/28/345289428.db2.gz LHPBHTONORIDPF-HIFRSBDPSA-N 2 1 292.427 2.213 20 0 CEADMP CCC(CC)NC(=O)[C@@H](C)N1CCC[C@H](n2ccnc2)C1 ZINC000591866980 345289433 /nfs/dbraw/zinc/28/94/33/345289433.db2.gz LHPBHTONORIDPF-HIFRSBDPSA-N 2 1 292.427 2.213 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1SC ZINC000592377486 345348243 /nfs/dbraw/zinc/34/82/43/345348243.db2.gz YLAAKKNDCUGLHG-RYPNDVFKSA-N 2 1 284.469 2.112 20 0 CEADMP CCOC(=O)CC[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000592430641 345352615 /nfs/dbraw/zinc/35/26/15/345352615.db2.gz ZSTKVJGPHCNORF-CQSZACIVSA-N 2 1 282.428 2.041 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000229271480 539461261 /nfs/dbraw/zinc/46/12/61/539461261.db2.gz MFRXYULLSWVVKE-AWEZNQCLSA-N 2 1 252.402 2.162 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ncccc2C)[C@@H](C)C1 ZINC000295110847 199351084 /nfs/dbraw/zinc/35/10/84/199351084.db2.gz WBRMJGPENQDYEL-HOCLYGCPSA-N 2 1 261.413 2.252 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000593316742 345465391 /nfs/dbraw/zinc/46/53/91/345465391.db2.gz HNLMRZKWPHVGTN-UHFFFAOYSA-N 2 1 288.347 2.075 20 0 CEADMP COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCCc1c[nH+]cn1C ZINC000593968848 345558175 /nfs/dbraw/zinc/55/81/75/345558175.db2.gz SEQNTTCVFZIHPB-HOCLYGCPSA-N 2 1 293.411 2.064 20 0 CEADMP CSCCCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594501858 345639080 /nfs/dbraw/zinc/63/90/80/345639080.db2.gz UTSLCXSTHCJPNQ-HNNXBMFYSA-N 2 1 286.485 2.363 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ncccc1C(F)(F)F ZINC000623086277 349933812 /nfs/dbraw/zinc/93/38/12/349933812.db2.gz HDGQWUUVRNETSD-UHFFFAOYSA-N 2 1 284.285 2.166 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]CC1=Cc2ccccc2OC1 ZINC000623086201 349933884 /nfs/dbraw/zinc/93/38/84/349933884.db2.gz BNVCATBHNLOCKY-UHFFFAOYSA-N 2 1 269.348 2.028 20 0 CEADMP Cc1nc(C[N@H+](C)CC2CC[NH+](C)CC2)cs1 ZINC000154748228 232230969 /nfs/dbraw/zinc/23/09/69/232230969.db2.gz NIAAVQRAOLIUDD-UHFFFAOYSA-N 2 1 253.415 2.225 20 0 CEADMP Cc1nc(C[N@@H+](C)CC2CC[NH+](C)CC2)cs1 ZINC000154748228 232230971 /nfs/dbraw/zinc/23/09/71/232230971.db2.gz NIAAVQRAOLIUDD-UHFFFAOYSA-N 2 1 253.415 2.225 20 0 CEADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000595886301 345906133 /nfs/dbraw/zinc/90/61/33/345906133.db2.gz UESKTCWWRJWVQJ-MELADBBJSA-N 2 1 284.469 2.113 20 0 CEADMP CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900246 345909942 /nfs/dbraw/zinc/90/99/42/345909942.db2.gz CEXCKYCMMTUHOJ-CVEARBPZSA-N 2 1 296.455 2.430 20 0 CEADMP CC(C)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCCCC1 ZINC000351715284 219184190 /nfs/dbraw/zinc/18/41/90/219184190.db2.gz ILSIWCNJOAMFCF-INIZCTEOSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCCCC1 ZINC000351715284 219184193 /nfs/dbraw/zinc/18/41/93/219184193.db2.gz ILSIWCNJOAMFCF-INIZCTEOSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000351715284 219184194 /nfs/dbraw/zinc/18/41/94/219184194.db2.gz ILSIWCNJOAMFCF-INIZCTEOSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCCC1 ZINC000351715284 219184197 /nfs/dbraw/zinc/18/41/97/219184197.db2.gz ILSIWCNJOAMFCF-INIZCTEOSA-N 2 1 268.445 2.485 20 0 CEADMP CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H](C)CC[NH+](C)C)c1C ZINC000598959142 346437757 /nfs/dbraw/zinc/43/77/57/346437757.db2.gz DRNORLIPGQVNRR-NSHDSACASA-N 2 1 295.427 2.238 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@@H]1C ZINC000598994327 346443631 /nfs/dbraw/zinc/44/36/31/346443631.db2.gz KBCBHNGVYWQKDK-WCVJEAGWSA-N 2 1 296.455 2.286 20 0 CEADMP C(C[C@@H]1CCCCO1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336791423 365813162 /nfs/dbraw/zinc/81/31/62/365813162.db2.gz NLIMKZQBTXQZPE-HNNXBMFYSA-N 2 1 252.402 2.162 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000062999044 362739628 /nfs/dbraw/zinc/73/96/28/362739628.db2.gz CAOCXMGVMDDWMG-INIZCTEOSA-N 2 1 262.397 2.184 20 0 CEADMP COC(=O)CCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000599299378 346494014 /nfs/dbraw/zinc/49/40/14/346494014.db2.gz FEUXTCGZCNYTOR-HNNXBMFYSA-N 2 1 282.428 2.138 20 0 CEADMP c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cs1 ZINC000063200166 362759927 /nfs/dbraw/zinc/75/99/27/362759927.db2.gz JTYPKZLBMOTCTM-CYBMUJFWSA-N 2 1 251.399 2.107 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cncs1 ZINC000129109001 365825540 /nfs/dbraw/zinc/82/55/40/365825540.db2.gz VVCTUZHJVVGTKW-QJPTWQEYSA-N 2 1 251.399 2.421 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cncs1 ZINC000129109001 365825544 /nfs/dbraw/zinc/82/55/44/365825544.db2.gz VVCTUZHJVVGTKW-QJPTWQEYSA-N 2 1 251.399 2.421 20 0 CEADMP COC(=O)C1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000602610505 347100995 /nfs/dbraw/zinc/10/09/95/347100995.db2.gz YSSXCFRJMSRIJI-KBPBESRZSA-N 2 1 282.428 2.182 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCCCO2)C1 ZINC000336800331 365829390 /nfs/dbraw/zinc/82/93/90/365829390.db2.gz LUKIGAUSRRTOQI-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000336800331 365829396 /nfs/dbraw/zinc/82/93/96/365829396.db2.gz LUKIGAUSRRTOQI-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000336800331 365829401 /nfs/dbraw/zinc/82/94/01/365829401.db2.gz LUKIGAUSRRTOQI-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1CCC[C@@](CNC(=O)[C@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000600965671 346721251 /nfs/dbraw/zinc/72/12/51/346721251.db2.gz TYWJCHBJNDMNIH-BFYDXBDKSA-N 2 1 295.471 2.097 20 0 CEADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CCOCC1 ZINC000336818981 365864311 /nfs/dbraw/zinc/86/43/11/365864311.db2.gz XSAYRTCKYZZFNC-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000602678656 347139891 /nfs/dbraw/zinc/13/98/91/347139891.db2.gz MYHFKBKKBIVTGG-BARDWOONSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602678656 347139895 /nfs/dbraw/zinc/13/98/95/347139895.db2.gz MYHFKBKKBIVTGG-BARDWOONSA-N 2 1 282.428 2.181 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](CCC(C)(C)C(=O)OC)CC1 ZINC000602739601 347181032 /nfs/dbraw/zinc/18/10/32/347181032.db2.gz REMLYVWYKUXIHM-UHFFFAOYSA-N 2 1 284.444 2.382 20 0 CEADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000528009725 313224396 /nfs/dbraw/zinc/22/43/96/313224396.db2.gz WWFNWVVYDSSLBD-GCSSGZNBSA-N 2 1 266.429 2.405 20 0 CEADMP CCOCCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000607729349 347533421 /nfs/dbraw/zinc/53/34/21/347533421.db2.gz SIWRPUUWHCMXGQ-UHFFFAOYSA-N 2 1 256.434 2.465 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCn2cnc3ccccc32)CC[N@H+]1C ZINC000129791066 365895076 /nfs/dbraw/zinc/89/50/76/365895076.db2.gz IEJJZGQUDXLIMX-LSDHHAIUSA-N 2 1 286.423 2.499 20 0 CEADMP C/C(Cl)=C\C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000528389019 313248995 /nfs/dbraw/zinc/24/89/95/313248995.db2.gz KOKLRHUCOCIDKM-DOCFVWFQSA-N 2 1 285.863 2.229 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000336836160 365906093 /nfs/dbraw/zinc/90/60/93/365906093.db2.gz BPCJAEWSBKVSKL-HNNXBMFYSA-N 2 1 289.423 2.409 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000336836160 365906097 /nfs/dbraw/zinc/90/60/97/365906097.db2.gz BPCJAEWSBKVSKL-HNNXBMFYSA-N 2 1 289.423 2.409 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000308714428 539578341 /nfs/dbraw/zinc/57/83/41/539578341.db2.gz SWLATJMQGWNQHZ-ZNMIVQPWSA-N 2 1 256.434 2.246 20 0 CEADMP OC1(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000568620537 299150407 /nfs/dbraw/zinc/15/04/07/299150407.db2.gz GFGBMRUAGQJNKV-KRWDZBQOSA-N 2 1 288.435 2.056 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339409407 215152193 /nfs/dbraw/zinc/15/21/93/215152193.db2.gz IRZGEHCJMAWOMS-QGZVFWFLSA-N 2 1 274.408 2.225 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCc1ccc2c(c1)CCO2 ZINC000339411201 215154627 /nfs/dbraw/zinc/15/46/27/215154627.db2.gz VEQAGTQXLBGCAF-UKRRQHHQSA-N 2 1 274.408 2.223 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCc1ccc2c(c1)CCO2 ZINC000339410314 215155503 /nfs/dbraw/zinc/15/55/03/215155503.db2.gz QWNAZGYHVJGBKZ-MRXNPFEDSA-N 2 1 274.408 2.238 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCc1ccc2c(c1)CCO2 ZINC000339410314 215155505 /nfs/dbraw/zinc/15/55/05/215155505.db2.gz QWNAZGYHVJGBKZ-MRXNPFEDSA-N 2 1 274.408 2.238 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000532021733 313337733 /nfs/dbraw/zinc/33/77/33/313337733.db2.gz QPIJELOTHUMCBR-INIZCTEOSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H](Cc2ccccc2)C[NH+](C)C)CC[N@H+]1C ZINC000128835334 187393705 /nfs/dbraw/zinc/39/37/05/187393705.db2.gz JIDQMWCCGXOLMF-NJAFHUGGSA-N 2 1 289.467 2.232 20 0 CEADMP CC(C)COCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000232686022 539633350 /nfs/dbraw/zinc/63/33/50/539633350.db2.gz NIHHQLBIMBYRHK-GJZGRUSLSA-N 2 1 254.418 2.123 20 0 CEADMP CCN(CC)C(=O)CCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623358221 349997336 /nfs/dbraw/zinc/99/73/36/349997336.db2.gz UHLICJHAGOMHHL-AWEZNQCLSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000623362827 349999205 /nfs/dbraw/zinc/99/92/05/349999205.db2.gz METXYSMHDIYRBP-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000623362827 349999206 /nfs/dbraw/zinc/99/92/06/349999206.db2.gz METXYSMHDIYRBP-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000623362827 349999208 /nfs/dbraw/zinc/99/92/08/349999208.db2.gz METXYSMHDIYRBP-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP c1ccc(NCCCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000339067999 539658914 /nfs/dbraw/zinc/65/89/14/539658914.db2.gz IWKQUJYJLDTSMB-HOTGVXAUSA-N 2 1 288.439 2.490 20 0 CEADMP CCc1cnc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000339069098 539658989 /nfs/dbraw/zinc/65/89/89/539658989.db2.gz QWRFLWDYXNCHGF-STQMWFEESA-N 2 1 279.453 2.464 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(C)CCC[C@H]1C ZINC000617508066 348718128 /nfs/dbraw/zinc/71/81/28/348718128.db2.gz UAOKGPKLALADKG-HLLBOEOZSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(C)CCC[C@H]1C ZINC000617508066 348718130 /nfs/dbraw/zinc/71/81/30/348718130.db2.gz UAOKGPKLALADKG-HLLBOEOZSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507026 348718653 /nfs/dbraw/zinc/71/86/53/348718653.db2.gz FUDFIHAABZJNDT-AWEZNQCLSA-N 2 1 285.476 2.057 20 0 CEADMP CC(C)C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507026 348718656 /nfs/dbraw/zinc/71/86/56/348718656.db2.gz FUDFIHAABZJNDT-AWEZNQCLSA-N 2 1 285.476 2.057 20 0 CEADMP Cc1nccn1CC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000357792836 233146170 /nfs/dbraw/zinc/14/61/70/233146170.db2.gz BQQBWRZCWGUSLV-INIZCTEOSA-N 2 1 295.390 2.488 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000357792836 233146179 /nfs/dbraw/zinc/14/61/79/233146179.db2.gz BQQBWRZCWGUSLV-INIZCTEOSA-N 2 1 295.390 2.488 20 0 CEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCOC1 ZINC000459794312 290242784 /nfs/dbraw/zinc/24/27/84/290242784.db2.gz UIQWGYNKXWSGCC-RRFJBIMHSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c(N(C)C)n1 ZINC000068690064 362944740 /nfs/dbraw/zinc/94/47/40/362944740.db2.gz JLVBMWQTQFJSBE-CYBMUJFWSA-N 2 1 277.416 2.219 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc[nH+]c(N(C)C)n1 ZINC000068690064 362944744 /nfs/dbraw/zinc/94/47/44/362944744.db2.gz JLVBMWQTQFJSBE-CYBMUJFWSA-N 2 1 277.416 2.219 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCn2cnc3ccccc32)CC1(C)C ZINC000623379163 350004615 /nfs/dbraw/zinc/00/46/15/350004615.db2.gz AKWFEHGHVYMZIF-AWEZNQCLSA-N 2 1 286.423 2.499 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623383869 350005050 /nfs/dbraw/zinc/00/50/50/350005050.db2.gz DVYGHSCCYDYNOZ-HUUCEWRRSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623383869 350005054 /nfs/dbraw/zinc/00/50/54/350005054.db2.gz DVYGHSCCYDYNOZ-HUUCEWRRSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623383869 350005057 /nfs/dbraw/zinc/00/50/57/350005057.db2.gz DVYGHSCCYDYNOZ-HUUCEWRRSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623383869 350005063 /nfs/dbraw/zinc/00/50/63/350005063.db2.gz DVYGHSCCYDYNOZ-HUUCEWRRSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623383869 350005068 /nfs/dbraw/zinc/00/50/68/350005068.db2.gz DVYGHSCCYDYNOZ-HUUCEWRRSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623383869 350005073 /nfs/dbraw/zinc/00/50/73/350005073.db2.gz DVYGHSCCYDYNOZ-HUUCEWRRSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623383869 350005076 /nfs/dbraw/zinc/00/50/76/350005076.db2.gz DVYGHSCCYDYNOZ-HUUCEWRRSA-N 3 1 267.461 2.179 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623403276 350011175 /nfs/dbraw/zinc/01/11/75/350011175.db2.gz QAAYYSLJMAUCPP-HNNXBMFYSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623403276 350011178 /nfs/dbraw/zinc/01/11/78/350011178.db2.gz QAAYYSLJMAUCPP-HNNXBMFYSA-N 2 1 267.461 2.181 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccncc1Cl ZINC000623412617 350012755 /nfs/dbraw/zinc/01/27/55/350012755.db2.gz SRSPIBYMNNHYLL-CQSZACIVSA-N 2 1 297.830 2.062 20 0 CEADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623413698 350013704 /nfs/dbraw/zinc/01/37/04/350013704.db2.gz DMNPMZQGMMYHEP-UONOGXRCSA-N 2 1 256.434 2.246 20 0 CEADMP CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416349 350015038 /nfs/dbraw/zinc/01/50/38/350015038.db2.gz RWVHGRCRBYATNA-GUTXKFCHSA-N 2 1 256.434 2.246 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1(C)C ZINC000623429256 350018702 /nfs/dbraw/zinc/01/87/02/350018702.db2.gz UVUNJPHVUXRDMB-REWJHTLYSA-N 2 1 266.429 2.262 20 0 CEADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C(F)F)n1 ZINC000623657072 350075872 /nfs/dbraw/zinc/07/58/72/350075872.db2.gz JCZSWVZICYPVFG-NSHDSACASA-N 2 1 286.370 2.179 20 0 CEADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C(F)F)n1 ZINC000623657072 350075873 /nfs/dbraw/zinc/07/58/73/350075873.db2.gz JCZSWVZICYPVFG-NSHDSACASA-N 2 1 286.370 2.179 20 0 CEADMP C[N@H+]1CCCC[C@@H](CNCc2cnn(C(C)(C)C)c2)C1 ZINC000623656332 350076138 /nfs/dbraw/zinc/07/61/38/350076138.db2.gz SBSTYIFIRHLAHF-AWEZNQCLSA-N 2 1 278.444 2.460 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000623656332 350076139 /nfs/dbraw/zinc/07/61/39/350076139.db2.gz SBSTYIFIRHLAHF-AWEZNQCLSA-N 2 1 278.444 2.460 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000623656332 350076141 /nfs/dbraw/zinc/07/61/41/350076141.db2.gz SBSTYIFIRHLAHF-AWEZNQCLSA-N 2 1 278.444 2.460 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2C2CC2)CC1(C)C ZINC000623508136 350037485 /nfs/dbraw/zinc/03/74/85/350037485.db2.gz KPZIWRBFTQQTOK-HOCLYGCPSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1(C)C ZINC000623508136 350037489 /nfs/dbraw/zinc/03/74/89/350037489.db2.gz KPZIWRBFTQQTOK-HOCLYGCPSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+]2C2CC2)CC1(C)C ZINC000623508136 350037493 /nfs/dbraw/zinc/03/74/93/350037493.db2.gz KPZIWRBFTQQTOK-HOCLYGCPSA-N 2 1 279.472 2.466 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)CC1(C)C ZINC000623508136 350037495 /nfs/dbraw/zinc/03/74/95/350037495.db2.gz KPZIWRBFTQQTOK-HOCLYGCPSA-N 2 1 279.472 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)CC1(C)C ZINC000623508136 350037497 /nfs/dbraw/zinc/03/74/97/350037497.db2.gz KPZIWRBFTQQTOK-HOCLYGCPSA-N 2 1 279.472 2.466 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)CC1(C)C ZINC000623550421 350047641 /nfs/dbraw/zinc/04/76/41/350047641.db2.gz NPJFVVHCUPQCBF-GOEBONIOSA-N 2 1 294.414 2.364 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCC2)CC1(C)C ZINC000623729287 350095401 /nfs/dbraw/zinc/09/54/01/350095401.db2.gz XGFAJYNYMFHSGQ-HOCLYGCPSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1(C)C ZINC000623729287 350095403 /nfs/dbraw/zinc/09/54/03/350095403.db2.gz XGFAJYNYMFHSGQ-HOCLYGCPSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C2CCCC2)CC1(C)C ZINC000623729287 350095406 /nfs/dbraw/zinc/09/54/06/350095406.db2.gz XGFAJYNYMFHSGQ-HOCLYGCPSA-N 2 1 279.472 2.466 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000090720270 180029974 /nfs/dbraw/zinc/02/99/74/180029974.db2.gz LBYYFSGYRJSQML-YPMHNXCESA-N 2 1 266.360 2.407 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000090720270 180029976 /nfs/dbraw/zinc/02/99/76/180029976.db2.gz LBYYFSGYRJSQML-YPMHNXCESA-N 2 1 266.360 2.407 20 0 CEADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000624033294 350175413 /nfs/dbraw/zinc/17/54/13/350175413.db2.gz AQDDZEQSQJYZRR-DLTWYDFYSA-N 2 1 278.440 2.266 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccccn2)C1 ZINC000271310230 191065624 /nfs/dbraw/zinc/06/56/24/191065624.db2.gz QXGUWAXIXQFQGW-CABCVRRESA-N 2 1 275.396 2.019 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccccn2)C1 ZINC000271310230 191065626 /nfs/dbraw/zinc/06/56/26/191065626.db2.gz QXGUWAXIXQFQGW-CABCVRRESA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000271310230 191065628 /nfs/dbraw/zinc/06/56/28/191065628.db2.gz QXGUWAXIXQFQGW-CABCVRRESA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000271310230 191065631 /nfs/dbraw/zinc/06/56/31/191065631.db2.gz QXGUWAXIXQFQGW-CABCVRRESA-N 2 1 275.396 2.019 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000091661415 180219856 /nfs/dbraw/zinc/21/98/56/180219856.db2.gz VYTVMAYTDIEPOM-DZGCQCFKSA-N 2 1 259.397 2.390 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000091661415 180219858 /nfs/dbraw/zinc/21/98/58/180219858.db2.gz VYTVMAYTDIEPOM-DZGCQCFKSA-N 2 1 259.397 2.390 20 0 CEADMP C[NH+](C)C1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000091670084 180224726 /nfs/dbraw/zinc/22/47/26/180224726.db2.gz XRSXKJGLQSILCL-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000105480705 186060751 /nfs/dbraw/zinc/06/07/51/186060751.db2.gz NMSHNUJKYCKDSS-OCCSQVGLSA-N 2 1 278.396 2.134 20 0 CEADMP Cc1cccc(C[NH2+]CCC[NH3+])c1Br ZINC000235779344 539791410 /nfs/dbraw/zinc/79/14/10/539791410.db2.gz FLOBZYVUSAXUDT-UHFFFAOYSA-N 2 1 257.175 2.196 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000091843836 180269077 /nfs/dbraw/zinc/26/90/77/180269077.db2.gz IUXVFQVSGJRINF-UHFFFAOYSA-N 2 1 276.380 2.175 20 0 CEADMP C[N@@H+](Cc1c[nH]nc1-c1cccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253848 180353354 /nfs/dbraw/zinc/35/33/54/180353354.db2.gz NYIMIJQYQZWROB-CQSZACIVSA-N 2 1 299.422 2.245 20 0 CEADMP C[N@H+](Cc1c[nH]nc1-c1cccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253848 180353357 /nfs/dbraw/zinc/35/33/57/180353357.db2.gz NYIMIJQYQZWROB-CQSZACIVSA-N 2 1 299.422 2.245 20 0 CEADMP C[NH+](Cc1c[nH]nc1-c1cccnc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253848 180353359 /nfs/dbraw/zinc/35/33/59/180353359.db2.gz NYIMIJQYQZWROB-CQSZACIVSA-N 2 1 299.422 2.245 20 0 CEADMP C[NH+](Cc1c[nH]nc1-c1cccnc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253848 180353362 /nfs/dbraw/zinc/35/33/62/180353362.db2.gz NYIMIJQYQZWROB-CQSZACIVSA-N 2 1 299.422 2.245 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](OCC)C2CC2)C1 ZINC000625212870 350430662 /nfs/dbraw/zinc/43/06/62/350430662.db2.gz ZTAVDNCWQSDWSY-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](OCC)C2CC2)C1 ZINC000625212866 350430779 /nfs/dbraw/zinc/43/07/79/350430779.db2.gz ZTAVDNCWQSDWSY-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP CCO[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000625425025 350494664 /nfs/dbraw/zinc/49/46/64/350494664.db2.gz ZSBGTDQELJQZQC-QXULXFAOSA-N 2 1 266.429 2.359 20 0 CEADMP CCO[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000625425025 350494667 /nfs/dbraw/zinc/49/46/67/350494667.db2.gz ZSBGTDQELJQZQC-QXULXFAOSA-N 2 1 266.429 2.359 20 0 CEADMP CCO[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000625425025 350494669 /nfs/dbraw/zinc/49/46/69/350494669.db2.gz ZSBGTDQELJQZQC-QXULXFAOSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCF)CC1 ZINC000626070643 350648324 /nfs/dbraw/zinc/64/83/24/350648324.db2.gz WQSPIUHNFFTRMF-INIZCTEOSA-N 2 1 285.451 2.227 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000110649014 186309685 /nfs/dbraw/zinc/30/96/85/186309685.db2.gz JSFIFWVXRXQPBB-LLVKDONJSA-N 2 1 295.814 2.338 20 0 CEADMP CCCCOCC[N@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337078317 366010277 /nfs/dbraw/zinc/01/02/77/366010277.db2.gz SOHIANLDHSDXSX-IAGOWNOFSA-N 2 1 276.424 2.477 20 0 CEADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC000629525569 351389938 /nfs/dbraw/zinc/38/99/38/351389938.db2.gz WPPBYBNRIYTIHN-HNNXBMFYSA-N 2 1 290.407 2.306 20 0 CEADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000629531738 351395945 /nfs/dbraw/zinc/39/59/45/351395945.db2.gz WHSWQEVTMACSRR-NWDGAFQWSA-N 2 1 278.387 2.415 20 0 CEADMP Cc1cncc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000629534409 351397531 /nfs/dbraw/zinc/39/75/31/351397531.db2.gz YKKRHRZZZFYCRT-HZPDHXFCSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cncc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000629537776 351400629 /nfs/dbraw/zinc/40/06/29/351400629.db2.gz LRCCIUDKODNHAV-YESZJQIVSA-N 2 1 289.423 2.108 20 0 CEADMP Cc1cnccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000629540510 351401888 /nfs/dbraw/zinc/40/18/88/351401888.db2.gz VEBHYASHXUZYJS-ULQDDVLXSA-N 2 1 289.423 2.108 20 0 CEADMP CC(C)Oc1cccc(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000629388165 351345959 /nfs/dbraw/zinc/34/59/59/351345959.db2.gz NWZJYUJXMLECDX-UHFFFAOYSA-N 2 1 278.396 2.071 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000629391075 351348465 /nfs/dbraw/zinc/34/84/65/351348465.db2.gz UJUAOAMQZIVODD-HYVNUMGLSA-N 2 1 274.408 2.283 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C[NH2+]1 ZINC000629397113 351350600 /nfs/dbraw/zinc/35/06/00/351350600.db2.gz SRIVWRUCVIYUMT-HOCLYGCPSA-N 2 1 273.424 2.386 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070074597 363026897 /nfs/dbraw/zinc/02/68/97/363026897.db2.gz BVMUFBKLGMWRGD-IUODEOHRSA-N 2 1 276.380 2.032 20 0 CEADMP Fc1ccc2c(c1)OCC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000629595707 351426571 /nfs/dbraw/zinc/42/65/71/351426571.db2.gz VIKPIKCHQHPFTI-CYBMUJFWSA-N 2 1 278.371 2.410 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000629649076 351447257 /nfs/dbraw/zinc/44/72/57/351447257.db2.gz HBBNZXXCFBNNEF-MRXNPFEDSA-N 2 1 272.392 2.440 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000629655539 351451831 /nfs/dbraw/zinc/45/18/31/351451831.db2.gz ZBOSASZBEIERFK-UHFFFAOYSA-N 2 1 297.399 2.103 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000629655539 351451836 /nfs/dbraw/zinc/45/18/36/351451836.db2.gz ZBOSASZBEIERFK-UHFFFAOYSA-N 2 1 297.399 2.103 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000629567425 351417718 /nfs/dbraw/zinc/41/77/18/351417718.db2.gz OBJQDCWVSZGRHK-LBPRGKRZSA-N 2 1 254.349 2.055 20 0 CEADMP CCc1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000070171129 363045154 /nfs/dbraw/zinc/04/51/54/363045154.db2.gz HIOQAKRWLOJHAQ-NSHDSACASA-N 2 1 253.415 2.266 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000070174622 363048779 /nfs/dbraw/zinc/04/87/79/363048779.db2.gz ZQQHDKWLHRKAGS-OLZOCXBDSA-N 2 1 293.386 2.214 20 0 CEADMP COc1cccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1OC ZINC000070148494 363036451 /nfs/dbraw/zinc/03/64/51/363036451.db2.gz TYTPZPPJSRBRPJ-AWEZNQCLSA-N 2 1 278.396 2.407 20 0 CEADMP COc1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1OC ZINC000070148494 363036455 /nfs/dbraw/zinc/03/64/55/363036455.db2.gz TYTPZPPJSRBRPJ-AWEZNQCLSA-N 2 1 278.396 2.407 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CC(C)(C)[NH3+] ZINC000236654379 539817375 /nfs/dbraw/zinc/81/73/75/539817375.db2.gz SKDGSEHSSZYIKG-UHFFFAOYSA-N 2 1 291.439 2.270 20 0 CEADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000070190012 363051959 /nfs/dbraw/zinc/05/19/59/363051959.db2.gz BWLZKAAHLSWANI-UHFFFAOYSA-N 2 1 293.386 2.086 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C[C@H]1C[NH3+] ZINC000630075867 351605136 /nfs/dbraw/zinc/60/51/36/351605136.db2.gz HFNQQDCBJIIUCB-GXSJLCMTSA-N 2 1 284.306 2.035 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000236748454 539821212 /nfs/dbraw/zinc/82/12/12/539821212.db2.gz CVBXEZIIAXPFHM-CQSZACIVSA-N 2 1 281.444 2.029 20 0 CEADMP C[C@@H](CCO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000122816288 187053110 /nfs/dbraw/zinc/05/31/10/187053110.db2.gz LRTNFWRHYKWEOQ-HNNXBMFYSA-N 2 1 276.424 2.054 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC2OCCO2)C1 ZINC000124307329 187131246 /nfs/dbraw/zinc/13/12/46/187131246.db2.gz YEXZKOROLXFGCF-HZPDHXFCSA-N 2 1 296.455 2.336 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC2OCCO2)C1 ZINC000124307329 187131247 /nfs/dbraw/zinc/13/12/47/187131247.db2.gz YEXZKOROLXFGCF-HZPDHXFCSA-N 2 1 296.455 2.336 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC2OCCO2)C1 ZINC000124307329 187131248 /nfs/dbraw/zinc/13/12/48/187131248.db2.gz YEXZKOROLXFGCF-HZPDHXFCSA-N 2 1 296.455 2.336 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCCCCn2cccn2)CC[N@@H+]1C ZINC000123403274 187090123 /nfs/dbraw/zinc/09/01/23/187090123.db2.gz GLYQIVRVECUMKD-JKSUJKDBSA-N 2 1 278.444 2.468 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCCCCn2cccn2)CC[N@H+]1C ZINC000123403274 187090124 /nfs/dbraw/zinc/09/01/24/187090124.db2.gz GLYQIVRVECUMKD-JKSUJKDBSA-N 2 1 278.444 2.468 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CCCCCn2cccn2)CC[NH+]1C ZINC000123403274 187090125 /nfs/dbraw/zinc/09/01/25/187090125.db2.gz GLYQIVRVECUMKD-JKSUJKDBSA-N 2 1 278.444 2.468 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCCCCn2cccn2)CC[NH+]1C ZINC000123403274 187090126 /nfs/dbraw/zinc/09/01/26/187090126.db2.gz GLYQIVRVECUMKD-JKSUJKDBSA-N 2 1 278.444 2.468 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000123592440 187099695 /nfs/dbraw/zinc/09/96/95/187099695.db2.gz VQXNIZSHTSPEED-RHSMWYFYSA-N 3 1 275.440 2.321 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CCN1C ZINC000123592440 187099696 /nfs/dbraw/zinc/09/96/96/187099696.db2.gz VQXNIZSHTSPEED-RHSMWYFYSA-N 2 1 275.440 2.321 20 0 CEADMP C[C@@H]1C[C@H](NCc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000123592440 187099697 /nfs/dbraw/zinc/09/96/97/187099697.db2.gz VQXNIZSHTSPEED-RHSMWYFYSA-N 2 1 275.440 2.321 20 0 CEADMP C[C@@H]1C[C@H](NCc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000123592440 187099698 /nfs/dbraw/zinc/09/96/98/187099698.db2.gz VQXNIZSHTSPEED-RHSMWYFYSA-N 2 1 275.440 2.321 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCCCCC2)[C@H](C)C1 ZINC000123966024 187116212 /nfs/dbraw/zinc/11/62/12/187116212.db2.gz IGUDNHZGGTZKSL-CVEARBPZSA-N 2 1 267.461 2.182 20 0 CEADMP COc1cncc(C[NH2+]CCCn2cc[nH+]c2C)c1C ZINC000631048275 351937514 /nfs/dbraw/zinc/93/75/14/351937514.db2.gz ZWDFYTXFBRGNLW-UHFFFAOYSA-N 2 1 274.368 2.083 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCOC1 ZINC000631196762 352011740 /nfs/dbraw/zinc/01/17/40/352011740.db2.gz VBKZDQAPKJLHTF-DJIMGWMZSA-N 2 1 274.408 2.133 20 0 CEADMP C[C@@H](CO)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000131724944 366082201 /nfs/dbraw/zinc/08/22/01/366082201.db2.gz IRPKBHXDGAGGQH-JKSUJKDBSA-N 2 1 290.451 2.300 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000252546536 539877743 /nfs/dbraw/zinc/87/77/43/539877743.db2.gz KPQULXGEEHZGFK-ZFWWWQNUSA-N 2 1 259.397 2.390 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000252546536 539877747 /nfs/dbraw/zinc/87/77/47/539877747.db2.gz KPQULXGEEHZGFK-ZFWWWQNUSA-N 2 1 259.397 2.390 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCn2cccn2)C1 ZINC000072974824 363186604 /nfs/dbraw/zinc/18/66/04/363186604.db2.gz NKJHXPVHJJJZHQ-IAGOWNOFSA-N 2 1 290.455 2.470 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCn2cccn2)C1 ZINC000072974824 363186608 /nfs/dbraw/zinc/18/66/08/363186608.db2.gz NKJHXPVHJJJZHQ-IAGOWNOFSA-N 2 1 290.455 2.470 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000072974824 363186609 /nfs/dbraw/zinc/18/66/09/363186609.db2.gz NKJHXPVHJJJZHQ-IAGOWNOFSA-N 2 1 290.455 2.470 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000072974824 363186612 /nfs/dbraw/zinc/18/66/12/363186612.db2.gz NKJHXPVHJJJZHQ-IAGOWNOFSA-N 2 1 290.455 2.470 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC000292088258 198157870 /nfs/dbraw/zinc/15/78/70/198157870.db2.gz GKXXZRJVBVCINY-SFHVURJKSA-N 2 1 286.419 2.192 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC000292088258 198157871 /nfs/dbraw/zinc/15/78/71/198157871.db2.gz GKXXZRJVBVCINY-SFHVURJKSA-N 2 1 286.419 2.192 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC000292088258 198157872 /nfs/dbraw/zinc/15/78/72/198157872.db2.gz GKXXZRJVBVCINY-SFHVURJKSA-N 2 1 286.419 2.192 20 0 CEADMP COC(=O)c1cccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292169454 198189337 /nfs/dbraw/zinc/18/93/37/198189337.db2.gz PNILOTMORBVZSF-QGZVFWFLSA-N 2 1 288.391 2.001 20 0 CEADMP COc1ccccc1C[C@@H](C)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000250986482 539970945 /nfs/dbraw/zinc/97/09/45/539970945.db2.gz KJIXZPGROWGYJJ-KGLIPLIRSA-N 2 1 262.397 2.168 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250951747 539970462 /nfs/dbraw/zinc/97/04/62/539970462.db2.gz GTYPPPXUGNCNTL-QWHCGFSZSA-N 2 1 265.426 2.416 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250951747 539970466 /nfs/dbraw/zinc/97/04/66/539970466.db2.gz GTYPPPXUGNCNTL-QWHCGFSZSA-N 2 1 265.426 2.416 20 0 CEADMP C[C@@H]1C[C@H](Nc2cnn(-c3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000679128563 539978066 /nfs/dbraw/zinc/97/80/66/539978066.db2.gz WGTXVACTQZHMMM-CHWSQXEVSA-N 2 1 271.368 2.162 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)c2ccsc2)CC1 ZINC000154588247 188151774 /nfs/dbraw/zinc/15/17/74/188151774.db2.gz DQCDXYOVKICWBS-CQSZACIVSA-N 2 1 268.426 2.244 20 0 CEADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccco2)CC1 ZINC000154528708 188148325 /nfs/dbraw/zinc/14/83/25/188148325.db2.gz AJNQLNMJFYZVOB-OAHLLOKOSA-N 2 1 279.428 2.348 20 0 CEADMP C[N@@H+](CCOCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309891128 539989771 /nfs/dbraw/zinc/98/97/71/539989771.db2.gz MKDZVIMMOVOVRZ-SJPCQFCGSA-N 2 1 274.408 2.418 20 0 CEADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)C1CCCCC1 ZINC000494897237 291003805 /nfs/dbraw/zinc/00/38/05/291003805.db2.gz YBQLPAIYUAREBT-GJZGRUSLSA-N 2 1 295.471 2.144 20 0 CEADMP Fc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CO2 ZINC000290456718 283000257 /nfs/dbraw/zinc/00/02/57/283000257.db2.gz WGWFERTYNGHKGN-HRCADAONSA-N 2 1 290.382 2.346 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000337378183 366146036 /nfs/dbraw/zinc/14/60/36/366146036.db2.gz BXWIDFLHCHFANQ-BARDWOONSA-N 2 1 254.418 2.264 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000337378183 366146041 /nfs/dbraw/zinc/14/60/41/366146041.db2.gz BXWIDFLHCHFANQ-BARDWOONSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000495240348 291027253 /nfs/dbraw/zinc/02/72/53/291027253.db2.gz MNHACNWXJDAPDS-HOCLYGCPSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000495240348 291027255 /nfs/dbraw/zinc/02/72/55/291027255.db2.gz MNHACNWXJDAPDS-HOCLYGCPSA-N 2 1 279.428 2.455 20 0 CEADMP FC1(F)Oc2cccc(C[NH2+][C@@H]3CCC[NH2+]CC3)c2O1 ZINC000666857586 540024377 /nfs/dbraw/zinc/02/43/77/540024377.db2.gz ABJOORRZHXTUGQ-LLVKDONJSA-N 2 1 284.306 2.240 20 0 CEADMP NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336373750 213228232 /nfs/dbraw/zinc/22/82/32/213228232.db2.gz JJUSVRUPOUIUKD-AWEZNQCLSA-N 2 1 291.370 2.478 20 0 CEADMP CCc1nnc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)o1 ZINC000328704966 202021561 /nfs/dbraw/zinc/02/15/61/202021561.db2.gz KVWSFBXAGWPPDH-FRRDWIJNSA-N 2 1 289.383 2.473 20 0 CEADMP CCc1nnc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)o1 ZINC000328704966 202021563 /nfs/dbraw/zinc/02/15/63/202021563.db2.gz KVWSFBXAGWPPDH-FRRDWIJNSA-N 2 1 289.383 2.473 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](C)C2Cc3ccccc3C2)CC[NH2+]1 ZINC000334873956 291054893 /nfs/dbraw/zinc/05/48/93/291054893.db2.gz LSBIKQRGVXLENI-KBPBESRZSA-N 2 1 258.409 2.474 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000495601083 291053361 /nfs/dbraw/zinc/05/33/61/291053361.db2.gz CFFVVMKBIXUSHB-CYBMUJFWSA-N 2 1 299.459 2.364 20 0 CEADMP CC[C@H]1C[N@@H+](CC)CCN1CCC[NH+](CC)CC ZINC000451741041 283088898 /nfs/dbraw/zinc/08/88/98/283088898.db2.gz NPFHLFLWIBIIQK-HNNXBMFYSA-N 2 1 255.450 2.134 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)ncn3C)CC[N@@H+]1C ZINC000271815424 191344230 /nfs/dbraw/zinc/34/42/30/191344230.db2.gz MQNKQKSMIOMALY-DZGCQCFKSA-N 2 1 286.423 2.488 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)ncn3C)CC[N@H+]1C ZINC000271815424 191344231 /nfs/dbraw/zinc/34/42/31/191344231.db2.gz MQNKQKSMIOMALY-DZGCQCFKSA-N 2 1 286.423 2.488 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)ncn3C)CC[NH+]1C ZINC000271815424 191344233 /nfs/dbraw/zinc/34/42/33/191344233.db2.gz MQNKQKSMIOMALY-DZGCQCFKSA-N 2 1 286.423 2.488 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)ncn3C)CC[NH+]1C ZINC000271815424 191344236 /nfs/dbraw/zinc/34/42/36/191344236.db2.gz MQNKQKSMIOMALY-DZGCQCFKSA-N 2 1 286.423 2.488 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2c(c1)OCO2 ZINC000271894473 191394690 /nfs/dbraw/zinc/39/46/90/191394690.db2.gz SZRPUNOVQGOXBO-GFCCVEGCSA-N 2 1 274.364 2.328 20 0 CEADMP COc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc(OC)c1 ZINC000271872587 191380659 /nfs/dbraw/zinc/38/06/59/191380659.db2.gz KQZNOWFRRKEUMO-UHFFFAOYSA-N 2 1 276.380 2.055 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCc2ccccc2C1 ZINC000380830073 540136038 /nfs/dbraw/zinc/13/60/38/540136038.db2.gz SJUNQDKSAODMBH-QGZVFWFLSA-N 2 1 276.424 2.136 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCc2ccccc2C1 ZINC000380830073 540136041 /nfs/dbraw/zinc/13/60/41/540136041.db2.gz SJUNQDKSAODMBH-QGZVFWFLSA-N 2 1 276.424 2.136 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCc2ccccc2C1 ZINC000380830073 540136044 /nfs/dbraw/zinc/13/60/44/540136044.db2.gz SJUNQDKSAODMBH-QGZVFWFLSA-N 2 1 276.424 2.136 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCc2ccccc2C1 ZINC000380830073 540136046 /nfs/dbraw/zinc/13/60/46/540136046.db2.gz SJUNQDKSAODMBH-QGZVFWFLSA-N 2 1 276.424 2.136 20 0 CEADMP C[N@@H+](C[C@H]1CCOc2ccccc21)CC(C)(C)C[NH3+] ZINC000162076533 540147294 /nfs/dbraw/zinc/14/72/94/540147294.db2.gz QRFHFJLTCIMREQ-CYBMUJFWSA-N 2 1 262.397 2.469 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)[C@@H]2CCC[C@@H]21 ZINC000353616087 283140755 /nfs/dbraw/zinc/14/07/55/283140755.db2.gz YPTKPTIZKBURIR-QPSCCSFWSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353671644 283141657 /nfs/dbraw/zinc/14/16/57/283141657.db2.gz LHBDXSSFCOCYFV-XAJHFOFHSA-N 2 1 278.440 2.406 20 0 CEADMP C[C@H](CCO)C1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CCC1 ZINC000273549514 192197171 /nfs/dbraw/zinc/19/71/71/192197171.db2.gz CLGYTGRPDXXRKW-CQSZACIVSA-N 2 1 291.439 2.426 20 0 CEADMP c1cc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCC2)cs1 ZINC000570106826 299239657 /nfs/dbraw/zinc/23/96/57/299239657.db2.gz MUQJKLAYIPOODT-UHFFFAOYSA-N 2 1 276.409 2.324 20 0 CEADMP CCCC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000338290376 366276684 /nfs/dbraw/zinc/27/66/84/366276684.db2.gz RWLZJXFPOHAEMT-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+](CCc1ccncc1)CC[C@@H]1CCCC[NH+]1C ZINC000075861128 363494901 /nfs/dbraw/zinc/49/49/01/363494901.db2.gz MGDDUFBYFZJEJA-INIZCTEOSA-N 2 1 261.413 2.430 20 0 CEADMP C[NH+](CCc1ccncc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861128 363494903 /nfs/dbraw/zinc/49/49/03/363494903.db2.gz MGDDUFBYFZJEJA-INIZCTEOSA-N 2 1 261.413 2.430 20 0 CEADMP C[NH+](CCc1ccncc1)CC[C@@H]1CCCC[N@H+]1C ZINC000075861128 363494906 /nfs/dbraw/zinc/49/49/06/363494906.db2.gz MGDDUFBYFZJEJA-INIZCTEOSA-N 2 1 261.413 2.430 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccncc1F ZINC000338358751 366315222 /nfs/dbraw/zinc/31/52/22/366315222.db2.gz TYEMXRQNFRJKMT-LLVKDONJSA-N 2 1 262.332 2.467 20 0 CEADMP Cc1cnc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000134869492 366367281 /nfs/dbraw/zinc/36/72/81/366367281.db2.gz MLTFYNYDRYJSMY-HIFRSBDPSA-N 2 1 275.396 2.432 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(F)cc1F ZINC000577653217 366378506 /nfs/dbraw/zinc/37/85/06/366378506.db2.gz NTLQFWBEVPBSBG-IAQYHMDHSA-N 2 1 268.351 2.437 20 0 CEADMP Cc1ncsc1CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000394119741 538763073 /nfs/dbraw/zinc/76/30/73/538763073.db2.gz AAFLGDVDPLBJQS-JSGCOSHPSA-N 2 1 265.426 2.055 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000348001275 538773709 /nfs/dbraw/zinc/77/37/09/538773709.db2.gz KIGJZKBAFXJHGI-OAHLLOKOSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@H](CN[C@@H](C)c1ncc[nH]1)[N@H+]1CCCC[C@H]1C ZINC000353460735 540315566 /nfs/dbraw/zinc/31/55/66/540315566.db2.gz LGPIJGFKYWVNGE-UPJWGTAASA-N 2 1 250.390 2.323 20 0 CEADMP CC(C)[C@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000353528654 540316648 /nfs/dbraw/zinc/31/66/48/540316648.db2.gz OLFOFWFUNAJSAZ-ZIAGYGMSSA-N 2 1 254.418 2.121 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH3+])o1 ZINC000166370391 540339009 /nfs/dbraw/zinc/33/90/09/540339009.db2.gz ZQBRDYDFBRESDU-CYBMUJFWSA-N 2 1 293.411 2.123 20 0 CEADMP CCC[NH+]1CCC(NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000156655062 540342019 /nfs/dbraw/zinc/34/20/19/540342019.db2.gz GUMIGLCEADGFID-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000389303643 540350588 /nfs/dbraw/zinc/35/05/88/540350588.db2.gz CZGYYYRIUSIFTO-RCBQFDQVSA-N 2 1 259.397 2.205 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414318573 236334954 /nfs/dbraw/zinc/33/49/54/236334954.db2.gz XZCQRIPNYZDNCZ-LGWLGOQQSA-N 2 1 294.414 2.220 20 0 CEADMP CC/C=C\CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000588475973 540380404 /nfs/dbraw/zinc/38/04/04/540380404.db2.gz PQTURXNRNOOTBO-VGOKWCNXSA-N 2 1 279.472 2.445 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2(CCO)CCCCC2)CC[N@H+]1C ZINC000165604088 291145750 /nfs/dbraw/zinc/14/57/50/291145750.db2.gz MJYXUMWSBAFDRA-LSDHHAIUSA-N 2 1 268.445 2.392 20 0 CEADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000414849936 236517547 /nfs/dbraw/zinc/51/75/47/236517547.db2.gz RRUJFNKFUKALIC-GJZGRUSLSA-N 2 1 289.423 2.362 20 0 CEADMP COC(=O)C(C)(C)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000338546186 366406251 /nfs/dbraw/zinc/40/62/51/366406251.db2.gz KRCIWYXDVUNLLQ-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP COC(=O)C(C)(C)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000338546186 366406255 /nfs/dbraw/zinc/40/62/55/366406255.db2.gz KRCIWYXDVUNLLQ-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP COC(=O)C(C)(C)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000338546186 366406257 /nfs/dbraw/zinc/40/62/57/366406257.db2.gz KRCIWYXDVUNLLQ-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c(Cl)c1 ZINC000414953788 236572771 /nfs/dbraw/zinc/57/27/71/236572771.db2.gz KCXBESKGTDWESF-IINYFYTJSA-N 2 1 268.788 2.436 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cn(-c2ccccc2)nn1 ZINC000570827076 299279745 /nfs/dbraw/zinc/27/97/45/299279745.db2.gz OKJTVTVHGCSPMD-BFHYXJOUSA-N 2 1 285.395 2.188 20 0 CEADMP c1cc(C[NH2+]CCC[NH2+]C2CC2)c2c(c1)OCCCO2 ZINC000415068016 236615341 /nfs/dbraw/zinc/61/53/41/236615341.db2.gz LXYCMAQPILRTSH-UHFFFAOYSA-N 2 1 276.380 2.080 20 0 CEADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000570859028 299281744 /nfs/dbraw/zinc/28/17/44/299281744.db2.gz SUZGWFMXIOZCRO-BMFZPTHFSA-N 2 1 268.445 2.390 20 0 CEADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000570859028 299281745 /nfs/dbraw/zinc/28/17/45/299281745.db2.gz SUZGWFMXIOZCRO-BMFZPTHFSA-N 2 1 268.445 2.390 20 0 CEADMP CC[C@H]1CCC[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000578271792 366470368 /nfs/dbraw/zinc/47/03/68/366470368.db2.gz GTXMGPCEOKWTRC-HOTGVXAUSA-N 2 1 267.461 2.182 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000578649880 366527531 /nfs/dbraw/zinc/52/75/31/366527531.db2.gz QANWIKVJLKHOEX-OAHLLOKOSA-N 2 1 275.396 2.347 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417355600 237093492 /nfs/dbraw/zinc/09/34/92/237093492.db2.gz OFINWCLOSYRCBX-DDBAPUKQSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417355600 237093498 /nfs/dbraw/zinc/09/34/98/237093498.db2.gz OFINWCLOSYRCBX-DDBAPUKQSA-N 2 1 288.435 2.400 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCC(C)C)C2CC2)CC1 ZINC000078536659 540575957 /nfs/dbraw/zinc/57/59/57/540575957.db2.gz XUOYLUXMDMDZLD-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP c1cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)n(-c2cc[nH+]cc2)n1 ZINC000668114731 540569714 /nfs/dbraw/zinc/56/97/14/540569714.db2.gz BNKAGUZZOHOZCP-KRWDZBQOSA-N 2 1 298.390 2.270 20 0 CEADMP c1cc(C[N@H+]2CC[C@]3(C2)CCCOC3)n(-c2cc[nH+]cc2)n1 ZINC000668114731 540569716 /nfs/dbraw/zinc/56/97/16/540569716.db2.gz BNKAGUZZOHOZCP-KRWDZBQOSA-N 2 1 298.390 2.270 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000297467382 200200990 /nfs/dbraw/zinc/20/09/90/200200990.db2.gz YJJMDCLCJIJIKH-OMNBBPDLSA-N 2 1 294.414 2.047 20 0 CEADMP Cc1nc(C)c(C[NH2+]CCC[NH+]2CCCC2)s1 ZINC000080692992 363678776 /nfs/dbraw/zinc/67/87/76/363678776.db2.gz DJULSUVQUOVHTQ-UHFFFAOYSA-N 2 1 253.415 2.335 20 0 CEADMP Cn1cncc1CCC[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000579254437 366618769 /nfs/dbraw/zinc/61/87/69/366618769.db2.gz JMNPNJIDHDNKAD-UHFFFAOYSA-N 2 1 287.411 2.018 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000579254437 366618775 /nfs/dbraw/zinc/61/87/75/366618775.db2.gz JMNPNJIDHDNKAD-UHFFFAOYSA-N 2 1 287.411 2.018 20 0 CEADMP c1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150755940 366594984 /nfs/dbraw/zinc/59/49/84/366594984.db2.gz QXUXVZLDWQFNON-INIZCTEOSA-N 2 1 274.408 2.483 20 0 CEADMP c1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150755940 366594991 /nfs/dbraw/zinc/59/49/91/366594991.db2.gz QXUXVZLDWQFNON-INIZCTEOSA-N 2 1 274.408 2.483 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000579229379 366612875 /nfs/dbraw/zinc/61/28/75/366612875.db2.gz VFWKJOVTCXGVDD-RLFYNMQTSA-N 2 1 288.435 2.391 20 0 CEADMP OCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000339071551 366640132 /nfs/dbraw/zinc/64/01/32/366640132.db2.gz SRZULIXEGKTANW-BBWFWOEESA-N 2 1 274.408 2.327 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000151953287 366678684 /nfs/dbraw/zinc/67/86/84/366678684.db2.gz IEYFMTABWVFUMO-APIJFGDWSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000151953287 366678693 /nfs/dbraw/zinc/67/86/93/366678693.db2.gz IEYFMTABWVFUMO-APIJFGDWSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H](CCO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000151944496 366677083 /nfs/dbraw/zinc/67/70/83/366677083.db2.gz XWANYJQEOKUPRC-AWEZNQCLSA-N 2 1 294.414 2.193 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCCCOC)C1 ZINC000081568359 363729358 /nfs/dbraw/zinc/72/93/58/363729358.db2.gz IRGOBILLUHEXRI-OAHLLOKOSA-N 2 1 256.434 2.467 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCCCOC)C1 ZINC000081568359 363729364 /nfs/dbraw/zinc/72/93/64/363729364.db2.gz IRGOBILLUHEXRI-OAHLLOKOSA-N 2 1 256.434 2.467 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCCCOC)C1 ZINC000081568359 363729368 /nfs/dbraw/zinc/72/93/68/363729368.db2.gz IRGOBILLUHEXRI-OAHLLOKOSA-N 2 1 256.434 2.467 20 0 CEADMP CN(CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000342101504 216219544 /nfs/dbraw/zinc/21/95/44/216219544.db2.gz LBIYGOKRQWWHSX-UAGQMJEPSA-N 2 1 273.424 2.182 20 0 CEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cncs2)[C@@H](C)C1 ZINC000676044934 540892569 /nfs/dbraw/zinc/89/25/69/540892569.db2.gz KPUJNUMFMIIIMH-ZFWWWQNUSA-N 2 1 297.468 2.370 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cncs2)[C@@H](C)C1 ZINC000676044934 540892570 /nfs/dbraw/zinc/89/25/70/540892570.db2.gz KPUJNUMFMIIIMH-ZFWWWQNUSA-N 2 1 297.468 2.370 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000179634616 189208903 /nfs/dbraw/zinc/20/89/03/189208903.db2.gz XGSVPCDNRRYPME-CQSZACIVSA-N 2 1 272.392 2.346 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000179634616 189208904 /nfs/dbraw/zinc/20/89/04/189208904.db2.gz XGSVPCDNRRYPME-CQSZACIVSA-N 2 1 272.392 2.346 20 0 CEADMP CCCN(CC[NH+]1CCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000342191384 216253700 /nfs/dbraw/zinc/25/37/00/216253700.db2.gz DVFFNUYQFAQFLL-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@@H]1C ZINC000677189664 540991693 /nfs/dbraw/zinc/99/16/93/540991693.db2.gz AEMMXVHXBRVHLQ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@@H]1C ZINC000677189664 540991695 /nfs/dbraw/zinc/99/16/95/540991695.db2.gz AEMMXVHXBRVHLQ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP c1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1OCO2 ZINC000677236003 540995083 /nfs/dbraw/zinc/99/50/83/540995083.db2.gz LEZGFSOUBHEXMZ-CABCVRRESA-N 2 1 288.391 2.174 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn2cccc(F)c2n1 ZINC000677318421 541003470 /nfs/dbraw/zinc/00/34/70/541003470.db2.gz DWZZIHIFYOPSKT-UHFFFAOYSA-N 2 1 287.342 2.158 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000579825059 366708507 /nfs/dbraw/zinc/70/85/07/366708507.db2.gz DSWBVLLGWLVRMD-YESZJQIVSA-N 2 1 281.488 2.475 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000579898047 366718436 /nfs/dbraw/zinc/71/84/36/366718436.db2.gz XFJXSLAOACQBFC-IIAWOOMASA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000579898047 366718438 /nfs/dbraw/zinc/71/84/38/366718438.db2.gz XFJXSLAOACQBFC-IIAWOOMASA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000579898047 366718441 /nfs/dbraw/zinc/71/84/41/366718441.db2.gz XFJXSLAOACQBFC-IIAWOOMASA-N 2 1 267.461 2.179 20 0 CEADMP COc1ccc(OCCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000152494683 366698136 /nfs/dbraw/zinc/69/81/36/366698136.db2.gz QSRFSNVXTULOKS-PBHICJAKSA-N 2 1 292.423 2.394 20 0 CEADMP C[NH+](C)C1(CNc2cc[nH+]cc2Cl)CCOCC1 ZINC000301548094 201063700 /nfs/dbraw/zinc/06/37/00/201063700.db2.gz XJRXWWBPUFFRLG-UHFFFAOYSA-N 2 1 269.776 2.258 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2cccc(C)c2)C1 ZINC000011888942 361367551 /nfs/dbraw/zinc/36/75/51/361367551.db2.gz GLWWLWISRBLTHM-OAHLLOKOSA-N 2 1 262.397 2.305 20 0 CEADMP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1C ZINC000154381208 366770614 /nfs/dbraw/zinc/77/06/14/366770614.db2.gz UJSDQCRVXCBXQW-LSDHHAIUSA-N 2 1 264.413 2.185 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)C(C)C)CC1 ZINC000154469152 366775104 /nfs/dbraw/zinc/77/51/04/366775104.db2.gz VLYSLGQHSNWQTQ-OAHLLOKOSA-N 2 1 255.450 2.038 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000340124866 366778760 /nfs/dbraw/zinc/77/87/60/366778760.db2.gz HHRMQKDOVPHOIG-PMPSAXMXSA-N 2 1 295.471 2.132 20 0 CEADMP CO[C@]1(C)C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1(C)C ZINC000155131326 366808126 /nfs/dbraw/zinc/80/81/26/366808126.db2.gz SNVIFBMYIJZYKX-RGCMKSIDSA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@]1(C)C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1(C)C ZINC000155131326 366808131 /nfs/dbraw/zinc/80/81/31/366808131.db2.gz SNVIFBMYIJZYKX-RGCMKSIDSA-N 2 1 254.418 2.262 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cncc(C)c1 ZINC000184276902 189381685 /nfs/dbraw/zinc/38/16/85/189381685.db2.gz OIGDRWVDEOEYNP-CQSZACIVSA-N 2 1 265.401 2.009 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cncc(C)c1 ZINC000184276902 189381686 /nfs/dbraw/zinc/38/16/86/189381686.db2.gz OIGDRWVDEOEYNP-CQSZACIVSA-N 2 1 265.401 2.009 20 0 CEADMP C[C@H]1COCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678274530 541106985 /nfs/dbraw/zinc/10/69/85/541106985.db2.gz POYHIVDEJJOPBX-HNNXBMFYSA-N 2 1 292.423 2.238 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCCC(C)(C)CC2)n1 ZINC000087657954 363866523 /nfs/dbraw/zinc/86/65/23/363866523.db2.gz JZSPBQHREYXBLK-UHFFFAOYSA-N 2 1 266.389 2.276 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2CCCC(C)(C)CC2)n1 ZINC000087657954 363866529 /nfs/dbraw/zinc/86/65/29/363866529.db2.gz JZSPBQHREYXBLK-UHFFFAOYSA-N 2 1 266.389 2.276 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)[C@H](C)C1 ZINC000090084849 364038892 /nfs/dbraw/zinc/03/88/92/364038892.db2.gz RGXZATNPTFAIFH-MCIONIFRSA-N 2 1 256.434 2.103 20 0 CEADMP C[NH+]1CCC([N@@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000334670062 364159341 /nfs/dbraw/zinc/15/93/41/364159341.db2.gz KFYCWOPAAXPYAH-CQSZACIVSA-N 2 1 254.443 2.300 20 0 CEADMP C[NH+]1CCC([N@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000334670062 364159349 /nfs/dbraw/zinc/15/93/49/364159349.db2.gz KFYCWOPAAXPYAH-CQSZACIVSA-N 2 1 254.443 2.300 20 0 CEADMP Cc1ncccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604511 364201983 /nfs/dbraw/zinc/20/19/83/364201983.db2.gz XURIVHRDZQKJIU-OAHLLOKOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ncccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604511 364201985 /nfs/dbraw/zinc/20/19/85/364201985.db2.gz XURIVHRDZQKJIU-OAHLLOKOSA-N 2 1 259.397 2.308 20 0 CEADMP C[N@@H+](CCOc1ccccc1F)CC(C)(C)C[NH3+] ZINC000093874315 364239396 /nfs/dbraw/zinc/23/93/96/364239396.db2.gz AZQPPKUXDPONHM-UHFFFAOYSA-N 2 1 254.349 2.121 20 0 CEADMP CO[C@H](C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)C1CC1 ZINC000572030666 299341664 /nfs/dbraw/zinc/34/16/64/299341664.db2.gz KLPALXSLTPGVBG-MRXNPFEDSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH2+]Cc3ccccc32)cc1 ZINC000335025494 364368260 /nfs/dbraw/zinc/36/82/60/364368260.db2.gz UMTQHQLYJNROTD-ZDUSSCGKSA-N 2 1 295.386 2.456 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000581951718 366841481 /nfs/dbraw/zinc/84/14/81/366841481.db2.gz LFCVLNULNGOREI-IRXDYDNUSA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000581951718 366841484 /nfs/dbraw/zinc/84/14/84/366841484.db2.gz LFCVLNULNGOREI-IRXDYDNUSA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000581951718 366841487 /nfs/dbraw/zinc/84/14/87/366841487.db2.gz LFCVLNULNGOREI-IRXDYDNUSA-N 2 1 294.414 2.145 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000335670174 212389912 /nfs/dbraw/zinc/38/99/12/212389912.db2.gz MKQIRYQTGPFFGW-BLLLJJGKSA-N 2 1 260.381 2.147 20 0 CEADMP C[C@H](CCO)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000097439599 364500800 /nfs/dbraw/zinc/50/08/00/364500800.db2.gz IVGHUSORCWWGAN-OAHLLOKOSA-N 2 1 276.424 2.259 20 0 CEADMP Cc1cnc(C)nc1N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000582072821 366859762 /nfs/dbraw/zinc/85/97/62/366859762.db2.gz KNEJWRFULSPVDK-AAEUAGOBSA-N 2 1 262.401 2.048 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000582094363 366861226 /nfs/dbraw/zinc/86/12/26/366861226.db2.gz JIZQPLXYLGAJGP-UHFFFAOYSA-N 2 1 287.411 2.120 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C)n1 ZINC000335193822 364605492 /nfs/dbraw/zinc/60/54/92/364605492.db2.gz QVLMWTPRAXNNRW-CVEARBPZSA-N 2 1 259.397 2.415 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(C)n1 ZINC000335193822 364605498 /nfs/dbraw/zinc/60/54/98/364605498.db2.gz QVLMWTPRAXNNRW-CVEARBPZSA-N 2 1 259.397 2.415 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]CC2(O)CCC(C)CC2)C1 ZINC000572112503 299346731 /nfs/dbraw/zinc/34/67/31/299346731.db2.gz MMVVIFGWVPDIPY-CGZBRXJRSA-N 2 1 282.472 2.495 20 0 CEADMP C[N@H+](Cc1cccc2c1OCCO2)CC1CC[NH+](C)CC1 ZINC000104086724 364675966 /nfs/dbraw/zinc/67/59/66/364675966.db2.gz CPSOWNCYCAOJCY-UHFFFAOYSA-N 2 1 290.407 2.231 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCCOCC(F)(F)F ZINC000111380868 364732974 /nfs/dbraw/zinc/73/29/74/364732974.db2.gz YJYVGXQLKDNZJM-NSHDSACASA-N 2 1 268.323 2.159 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cnc3ccc(Cl)cn23)CC[NH2+]1 ZINC000335639733 212354954 /nfs/dbraw/zinc/35/49/54/212354954.db2.gz LIXSPMQCAHLVDE-JQWIXIFHSA-N 2 1 278.787 2.218 20 0 CEADMP Cc1cccn2c(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cnc12 ZINC000335637936 212353743 /nfs/dbraw/zinc/35/37/43/212353743.db2.gz YUJLUUFCESHEMB-HOTGVXAUSA-N 2 1 298.434 2.464 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000335638018 212353716 /nfs/dbraw/zinc/35/37/16/212353716.db2.gz ZQTZWOZNLMDYQV-STQMWFEESA-N 2 1 265.426 2.273 20 0 CEADMP Cc1cccnc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335631911 212345974 /nfs/dbraw/zinc/34/59/74/212345974.db2.gz CLEVBBGBAVAYNV-CABCVRRESA-N 2 1 259.397 2.212 20 0 CEADMP Cc1ccoc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000335739228 364911311 /nfs/dbraw/zinc/91/13/11/364911311.db2.gz BNNSOQMQTJAIGF-HNNXBMFYSA-N 2 1 291.439 2.188 20 0 CEADMP Cc1ccoc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000335739228 364911313 /nfs/dbraw/zinc/91/13/13/364911313.db2.gz BNNSOQMQTJAIGF-HNNXBMFYSA-N 2 1 291.439 2.188 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000572189008 299351458 /nfs/dbraw/zinc/35/14/58/299351458.db2.gz ACAYMRDVEYUTEA-NSHDSACASA-N 2 1 265.426 2.452 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000572189008 299351463 /nfs/dbraw/zinc/35/14/63/299351463.db2.gz ACAYMRDVEYUTEA-NSHDSACASA-N 2 1 265.426 2.452 20 0 CEADMP CCc1cc(NC[C@@]2([NH+](C)C)CCSC2)nc(C)[nH+]1 ZINC000272910632 541426504 /nfs/dbraw/zinc/42/65/04/541426504.db2.gz RGTDLZRPAJHHSC-AWEZNQCLSA-N 2 1 280.441 2.197 20 0 CEADMP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000335780413 364973102 /nfs/dbraw/zinc/97/31/02/364973102.db2.gz MGBFDSXANFMQHN-IAQYHMDHSA-N 2 1 288.370 2.385 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000335780413 364973108 /nfs/dbraw/zinc/97/31/08/364973108.db2.gz MGBFDSXANFMQHN-IAQYHMDHSA-N 2 1 288.370 2.385 20 0 CEADMP C1CC([NH+]2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000335928723 365174108 /nfs/dbraw/zinc/17/41/08/365174108.db2.gz QXYLGOVLCJLNBO-DOTOQJQBSA-N 2 1 277.456 2.220 20 0 CEADMP CCc1nocc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000335940939 365191765 /nfs/dbraw/zinc/19/17/65/365191765.db2.gz BZYUFKBLCRBIOF-DOMZBBRYSA-N 2 1 263.385 2.153 20 0 CEADMP CCc1nocc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000335940939 365191768 /nfs/dbraw/zinc/19/17/68/365191768.db2.gz BZYUFKBLCRBIOF-DOMZBBRYSA-N 2 1 263.385 2.153 20 0 CEADMP CCc1nocc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000335940939 365191773 /nfs/dbraw/zinc/19/17/73/365191773.db2.gz BZYUFKBLCRBIOF-DOMZBBRYSA-N 2 1 263.385 2.153 20 0 CEADMP CCc1nocc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000335940939 365191775 /nfs/dbraw/zinc/19/17/75/365191775.db2.gz BZYUFKBLCRBIOF-DOMZBBRYSA-N 2 1 263.385 2.153 20 0 CEADMP COC(=O)[C@]12CCC[C@@H]1C[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000118976834 365194741 /nfs/dbraw/zinc/19/47/41/365194741.db2.gz ZDSNERWPTIVUHO-WBVHZDCISA-N 2 1 294.439 2.138 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000357149766 370806460 /nfs/dbraw/zinc/80/64/60/370806460.db2.gz BCRSMPIVDUHSSM-HZPDHXFCSA-N 2 1 295.471 2.286 20 0 CEADMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)nc1 ZINC000335997937 365270570 /nfs/dbraw/zinc/27/05/70/365270570.db2.gz WMQQQCHZCACJCA-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)nc1 ZINC000335997937 365270574 /nfs/dbraw/zinc/27/05/74/365270574.db2.gz WMQQQCHZCACJCA-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)nc1 ZINC000335997937 365270579 /nfs/dbraw/zinc/27/05/79/365270579.db2.gz WMQQQCHZCACJCA-GOEBONIOSA-N 2 1 259.397 2.306 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2(OC)CCC2)[C@@H](C)C1 ZINC000340440746 366887044 /nfs/dbraw/zinc/88/70/44/366887044.db2.gz JTAGLYHRZRWWGM-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cncs2)CC1 ZINC000336069294 365365188 /nfs/dbraw/zinc/36/51/88/365365188.db2.gz LHJKFHYSZSDQER-UHFFFAOYSA-N 2 1 251.399 2.203 20 0 CEADMP CC[C@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120193679 365387075 /nfs/dbraw/zinc/38/70/75/365387075.db2.gz AVZBIKQNTFHFHA-YOEHRIQHSA-N 2 1 276.424 2.389 20 0 CEADMP CC(C)CC[C@@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000159348599 366903604 /nfs/dbraw/zinc/90/36/04/366903604.db2.gz RJBFJXZHENTSPG-SOUVJXGZSA-N 2 1 256.434 2.246 20 0 CEADMP COCC1(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000340445724 366888856 /nfs/dbraw/zinc/88/88/56/366888856.db2.gz ZAILIWZKYYQJAI-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP c1cncc(C[NH2+]CCC[NH2+][C@H]2CCC23CCOCC3)c1 ZINC000582295211 366891129 /nfs/dbraw/zinc/89/11/29/366891129.db2.gz DSYFGIIHNBZOMZ-INIZCTEOSA-N 2 1 289.423 2.110 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000340474638 366899300 /nfs/dbraw/zinc/89/93/00/366899300.db2.gz LMOLAJOPTDXKLO-CHWSQXEVSA-N 2 1 250.390 2.181 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000340474638 366899306 /nfs/dbraw/zinc/89/93/06/366899306.db2.gz LMOLAJOPTDXKLO-CHWSQXEVSA-N 2 1 250.390 2.181 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000340474639 366899588 /nfs/dbraw/zinc/89/95/88/366899588.db2.gz LMOLAJOPTDXKLO-OLZOCXBDSA-N 2 1 250.390 2.181 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cn[nH]c2)C1 ZINC000340474639 366899595 /nfs/dbraw/zinc/89/95/95/366899595.db2.gz LMOLAJOPTDXKLO-OLZOCXBDSA-N 2 1 250.390 2.181 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CC2=CCCOC2)C1 ZINC000120809338 365478733 /nfs/dbraw/zinc/47/87/33/365478733.db2.gz YTWFDIPYSQGKCT-HNNXBMFYSA-N 2 1 266.429 2.291 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000340501137 366910475 /nfs/dbraw/zinc/91/04/75/366910475.db2.gz HSWRQFNEPMUNGE-HNNXBMFYSA-N 2 1 271.364 2.335 20 0 CEADMP COC(C)(C)[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000340524589 366921066 /nfs/dbraw/zinc/92/10/66/366921066.db2.gz XTDALEXORVUCDT-IYXRBSQSSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000680989896 541484381 /nfs/dbraw/zinc/48/43/81/541484381.db2.gz GVJMUINHNUTXJW-HYVNUMGLSA-N 2 1 276.424 2.225 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CO)[C@@H]2CCC[C@@H]21 ZINC000582956023 366980630 /nfs/dbraw/zinc/98/06/30/366980630.db2.gz MYXSTEHZVYOACA-ULQDDVLXSA-N 2 1 274.408 2.141 20 0 CEADMP CC(C)(C)NC(=O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000572394306 299364632 /nfs/dbraw/zinc/36/46/32/299364632.db2.gz VVFKANCBBVXNDX-UHFFFAOYSA-N 2 1 295.471 2.288 20 0 CEADMP Cc1ccc(F)c(C[N@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000584081041 367139627 /nfs/dbraw/zinc/13/96/27/367139627.db2.gz FJYJZUUNCKZDOR-UHFFFAOYSA-N 2 1 295.446 2.449 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNCc2ncc(C)n2C)c1 ZINC000341039937 367143592 /nfs/dbraw/zinc/14/35/92/367143592.db2.gz DYKHKZMRQRLRHY-UHFFFAOYSA-N 2 1 286.423 2.470 20 0 CEADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ncc(C)n2C)c1 ZINC000341039937 367143594 /nfs/dbraw/zinc/14/35/94/367143594.db2.gz DYKHKZMRQRLRHY-UHFFFAOYSA-N 2 1 286.423 2.470 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ncc(C)n2C)c1 ZINC000341039937 367143597 /nfs/dbraw/zinc/14/35/97/367143597.db2.gz DYKHKZMRQRLRHY-UHFFFAOYSA-N 2 1 286.423 2.470 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000357791212 370829753 /nfs/dbraw/zinc/82/97/53/370829753.db2.gz LCPVWJYGOVQOKQ-RDJZCZTQSA-N 2 1 295.471 2.289 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000162744825 367185663 /nfs/dbraw/zinc/18/56/63/367185663.db2.gz KFJFNZIQXLESFR-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NCCC[N@H+](C)Cc1ccccc1 ZINC000162744825 367185669 /nfs/dbraw/zinc/18/56/69/367185669.db2.gz KFJFNZIQXLESFR-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000162744825 367185673 /nfs/dbraw/zinc/18/56/73/367185673.db2.gz KFJFNZIQXLESFR-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccccc3F)CC[C@@H]21 ZINC000162812919 367192108 /nfs/dbraw/zinc/19/21/08/367192108.db2.gz AFWFRFVOXFQUIS-JQFCIGGWSA-N 2 1 292.398 2.275 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccccc3F)CC[C@@H]21 ZINC000162812919 367192114 /nfs/dbraw/zinc/19/21/14/367192114.db2.gz AFWFRFVOXFQUIS-JQFCIGGWSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)c3ccccc3F)CC[C@@H]21 ZINC000162812919 367192118 /nfs/dbraw/zinc/19/21/18/367192118.db2.gz AFWFRFVOXFQUIS-JQFCIGGWSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)c3ccccc3F)CC[C@@H]21 ZINC000162812919 367192120 /nfs/dbraw/zinc/19/21/20/367192120.db2.gz AFWFRFVOXFQUIS-JQFCIGGWSA-N 2 1 292.398 2.275 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)Nc1cc[nH+]cc1C(=O)OCC ZINC000341140974 367192414 /nfs/dbraw/zinc/19/24/14/367192414.db2.gz OQDZWBDWOPEUPF-CYBMUJFWSA-N 2 1 293.411 2.213 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)Nc1cc[nH+]cc1C(=O)OCC ZINC000341140974 367192416 /nfs/dbraw/zinc/19/24/16/367192416.db2.gz OQDZWBDWOPEUPF-CYBMUJFWSA-N 2 1 293.411 2.213 20 0 CEADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245680487 370857040 /nfs/dbraw/zinc/85/70/40/370857040.db2.gz PBWKOSMYASNGLL-KKUMJFAQSA-N 2 1 292.427 2.071 20 0 CEADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1n1ccnc1 ZINC000245574015 370843372 /nfs/dbraw/zinc/84/33/72/370843372.db2.gz AKXPWNODMFHLED-OWCLPIDISA-N 2 1 276.428 2.250 20 0 CEADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H]1n1ccnc1 ZINC000245574015 370843377 /nfs/dbraw/zinc/84/33/77/370843377.db2.gz AKXPWNODMFHLED-OWCLPIDISA-N 2 1 276.428 2.250 20 0 CEADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H]1n1ccnc1 ZINC000245574015 370843382 /nfs/dbraw/zinc/84/33/82/370843382.db2.gz AKXPWNODMFHLED-OWCLPIDISA-N 2 1 276.428 2.250 20 0 CEADMP CCC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C)[NH+](C)C ZINC000164179381 367278387 /nfs/dbraw/zinc/27/83/87/367278387.db2.gz SZGDHPAFILCCDN-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000163237451 367226023 /nfs/dbraw/zinc/22/60/23/367226023.db2.gz ASSWSSMUFHKQKP-JSGCOSHPSA-N 2 1 255.365 2.404 20 0 CEADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000163328808 367231743 /nfs/dbraw/zinc/23/17/43/367231743.db2.gz RQRCDLVBIVYQNW-HOTGVXAUSA-N 2 1 290.455 2.159 20 0 CEADMP Cn1ccnc1C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000163328808 367231746 /nfs/dbraw/zinc/23/17/46/367231746.db2.gz RQRCDLVBIVYQNW-HOTGVXAUSA-N 2 1 290.455 2.159 20 0 CEADMP Cn1ccnc1C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000163328808 367231750 /nfs/dbraw/zinc/23/17/50/367231750.db2.gz RQRCDLVBIVYQNW-HOTGVXAUSA-N 2 1 290.455 2.159 20 0 CEADMP C[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000163477180 367244165 /nfs/dbraw/zinc/24/41/65/367244165.db2.gz XCBYRGYFCHWSQD-HOCLYGCPSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000163477180 367244167 /nfs/dbraw/zinc/24/41/67/367244167.db2.gz XCBYRGYFCHWSQD-HOCLYGCPSA-N 2 1 284.407 2.289 20 0 CEADMP Cc1cc(NCC[N@@H+]2CCC[C@@H](C)C2)nc(C2CC2)n1 ZINC000341485428 367352331 /nfs/dbraw/zinc/35/23/31/367352331.db2.gz PERNUCSPKKVURB-GFCCVEGCSA-N 2 1 274.412 2.228 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)CC[N@H+]1C ZINC000631440992 367319414 /nfs/dbraw/zinc/31/94/14/367319414.db2.gz FJYRJLSVSKEGPW-XUWVNRHRSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC[NH+]1C ZINC000631440992 367319419 /nfs/dbraw/zinc/31/94/19/367319419.db2.gz FJYRJLSVSKEGPW-XUWVNRHRSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)CC[NH+]1C ZINC000631440992 367319422 /nfs/dbraw/zinc/31/94/22/367319422.db2.gz FJYRJLSVSKEGPW-XUWVNRHRSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[NH2+]CC3CC3)c2C1 ZINC000166720401 367327137 /nfs/dbraw/zinc/32/71/37/367327137.db2.gz GBUQEBOYKRHPQS-UHFFFAOYSA-N 2 1 287.407 2.350 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)C[NH2+]CC3CC3)c2C1 ZINC000166720401 367327139 /nfs/dbraw/zinc/32/71/39/367327139.db2.gz GBUQEBOYKRHPQS-UHFFFAOYSA-N 2 1 287.407 2.350 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000631526447 367380824 /nfs/dbraw/zinc/38/08/24/367380824.db2.gz LRHXWWFPLRKGBG-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000631526447 367380829 /nfs/dbraw/zinc/38/08/29/367380829.db2.gz LRHXWWFPLRKGBG-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000631526447 367380834 /nfs/dbraw/zinc/38/08/34/367380834.db2.gz LRHXWWFPLRKGBG-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCNC(=O)C[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000342046847 367383002 /nfs/dbraw/zinc/38/30/02/367383002.db2.gz KUMWHYKMZLSDLN-INIZCTEOSA-N 2 1 295.471 2.243 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631569359 367407163 /nfs/dbraw/zinc/40/71/63/367407163.db2.gz INLOKUUZLMHSDQ-CZUORRHYSA-N 2 1 259.397 2.390 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631583065 367417822 /nfs/dbraw/zinc/41/78/22/367417822.db2.gz VROGEERRXJBLRO-CZUORRHYSA-N 2 1 259.397 2.390 20 0 CEADMP CCC1CC([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000342692528 367485400 /nfs/dbraw/zinc/48/54/00/367485400.db2.gz ZQPHBOMDZWTLRQ-UHFFFAOYSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)[C@H](C)C1 ZINC000342815434 367552848 /nfs/dbraw/zinc/55/28/48/367552848.db2.gz ZUDHBHWOQJNMBX-CZUORRHYSA-N 2 1 286.423 2.425 20 0 CEADMP CN(Cc1cccc2nccn21)[C@H]1CC[N@H+](C2CC2)C1 ZINC000342724640 367501588 /nfs/dbraw/zinc/50/15/88/367501588.db2.gz LFMVKAXUAABGKN-AWEZNQCLSA-N 2 1 270.380 2.003 20 0 CEADMP C(c1nc(C2CCC2)no1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000631826455 367563735 /nfs/dbraw/zinc/56/37/35/367563735.db2.gz NMTZCKDIVHGWND-AWEZNQCLSA-N 2 1 290.411 2.159 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1cccc2c1OC(F)(F)O2 ZINC000631829693 367567317 /nfs/dbraw/zinc/56/73/17/367567317.db2.gz XPKLUKGNQNTOEI-ZYHUDNBSSA-N 2 1 298.333 2.362 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1cccc2c1OC(F)(F)O2 ZINC000631829693 367567321 /nfs/dbraw/zinc/56/73/21/367567321.db2.gz XPKLUKGNQNTOEI-ZYHUDNBSSA-N 2 1 298.333 2.362 20 0 CEADMP CCC[NH+](CCC)CCCN[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000342847791 367568059 /nfs/dbraw/zinc/56/80/59/367568059.db2.gz HFAKUWKSHSLYFZ-JKSUJKDBSA-N 2 1 269.477 2.428 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631844361 367585734 /nfs/dbraw/zinc/58/57/34/367585734.db2.gz WXCIWGYRSCTDLI-VNHYZAJKSA-N 2 1 289.423 2.103 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631844361 367585739 /nfs/dbraw/zinc/58/57/39/367585739.db2.gz WXCIWGYRSCTDLI-VNHYZAJKSA-N 2 1 289.423 2.103 20 0 CEADMP CCCC[N@H+](CCCn1cc[nH+]c1C)CCOC ZINC000342858652 367574506 /nfs/dbraw/zinc/57/45/06/367574506.db2.gz FHIGMZFOUMXPFA-UHFFFAOYSA-N 2 1 253.390 2.330 20 0 CEADMP CCCC[N@@H+](CCCn1cc[nH+]c1C)CCOC ZINC000342858652 367574510 /nfs/dbraw/zinc/57/45/10/367574510.db2.gz FHIGMZFOUMXPFA-UHFFFAOYSA-N 2 1 253.390 2.330 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO[C@H]1C1CC1 ZINC000344093753 291390516 /nfs/dbraw/zinc/39/05/16/291390516.db2.gz CQOOAENPXSPAGA-WCXIOVBPSA-N 2 1 278.440 2.408 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889290 367611340 /nfs/dbraw/zinc/61/13/40/367611340.db2.gz HUPUYLRLPLRBPQ-OLZOCXBDSA-N 2 1 265.426 2.068 20 0 CEADMP CC[NH+](CC)[C@H](CN[C@@H]1C[N@@H+](C)C[C@H]1C)CC(C)C ZINC000343267906 367734592 /nfs/dbraw/zinc/73/45/92/367734592.db2.gz HLKXFSZVGWTAGG-OWCLPIDISA-N 2 1 269.477 2.283 20 0 CEADMP c1cn(CCC[N@H+]2CCC[C@]3(CCCOC3)C2)cn1 ZINC000343312308 367749095 /nfs/dbraw/zinc/74/90/95/367749095.db2.gz ACAREDCDAQZDGK-HNNXBMFYSA-N 2 1 263.385 2.166 20 0 CEADMP Cc1[nH+]c2ccccc2c(NCC[N@H+]2CCOC[C@@H]2C)c1C ZINC000343431608 367811223 /nfs/dbraw/zinc/81/12/23/367811223.db2.gz GJGPLRUMONKFJT-ZDUSSCGKSA-N 2 1 299.418 2.406 20 0 CEADMP Cc1[nH+]c2ccccc2c(NCC[N@@H+]2CCOC[C@@H]2C)c1C ZINC000343431608 367811226 /nfs/dbraw/zinc/81/12/26/367811226.db2.gz GJGPLRUMONKFJT-ZDUSSCGKSA-N 2 1 299.418 2.406 20 0 CEADMP CCC[C@@H](C)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245870423 370882542 /nfs/dbraw/zinc/88/25/42/370882542.db2.gz RMFGXQIKSIYMMH-HZPDHXFCSA-N 2 1 267.461 2.134 20 0 CEADMP C[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358030638 370877418 /nfs/dbraw/zinc/87/74/18/370877418.db2.gz YBJMUJOJFJETAA-MXWKQRLJSA-N 2 1 268.323 2.026 20 0 CEADMP C[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358030638 370877421 /nfs/dbraw/zinc/87/74/21/370877421.db2.gz YBJMUJOJFJETAA-MXWKQRLJSA-N 2 1 268.323 2.026 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2C)CC1 ZINC000343609435 367914483 /nfs/dbraw/zinc/91/44/83/367914483.db2.gz OZVBDYKHGJXHSU-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[N@H+](CC)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000174648029 368052120 /nfs/dbraw/zinc/05/21/20/368052120.db2.gz HGUIWLYRJPLROS-INIZCTEOSA-N 2 1 291.439 2.137 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000174648029 368052127 /nfs/dbraw/zinc/05/21/27/368052127.db2.gz HGUIWLYRJPLROS-INIZCTEOSA-N 2 1 291.439 2.137 20 0 CEADMP CC[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+](CC)CC ZINC000344213096 368114806 /nfs/dbraw/zinc/11/48/06/368114806.db2.gz DKSRCMYMNRUUEJ-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CC[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)[NH+](CC)CC ZINC000344213101 368115302 /nfs/dbraw/zinc/11/53/02/368115302.db2.gz DKSRCMYMNRUUEJ-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000344546016 368127373 /nfs/dbraw/zinc/12/73/73/368127373.db2.gz YJLZQVIWYQWSOO-WCVJEAGWSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000344546016 368127378 /nfs/dbraw/zinc/12/73/78/368127378.db2.gz YJLZQVIWYQWSOO-WCVJEAGWSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000344546016 368127383 /nfs/dbraw/zinc/12/73/83/368127383.db2.gz YJLZQVIWYQWSOO-WCVJEAGWSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000345162797 368176253 /nfs/dbraw/zinc/17/62/53/368176253.db2.gz KXYCNYCNNXHYPO-HUUCEWRRSA-N 2 1 255.450 2.038 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000345162797 368176264 /nfs/dbraw/zinc/17/62/64/368176264.db2.gz KXYCNYCNNXHYPO-HUUCEWRRSA-N 2 1 255.450 2.038 20 0 CEADMP C[C@@H]1SCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000682160261 541639671 /nfs/dbraw/zinc/63/96/71/541639671.db2.gz VCHQKLDHNHAIES-NWANDNLSSA-N 2 1 284.469 2.113 20 0 CEADMP CN(CC[N@@H+](C)CCC(C)(C)C)C1CC[NH+](C)CC1 ZINC000180954262 368406623 /nfs/dbraw/zinc/40/66/23/368406623.db2.gz HXPICIYGGMFSLT-UHFFFAOYSA-N 2 1 269.477 2.380 20 0 CEADMP CN(CC[N@@H+](C)[C@H]1C=CCCC1)C1CC[NH+](C)CC1 ZINC000180962691 368407157 /nfs/dbraw/zinc/40/71/57/368407157.db2.gz BQWZHFGNZXRGQN-HNNXBMFYSA-N 2 1 265.445 2.053 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)CCOC)C12CCCC2 ZINC000181488433 368462023 /nfs/dbraw/zinc/46/20/23/368462023.db2.gz ACGNERSKKCKBTA-HOTGVXAUSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(=O)[nH]n1 ZINC000353459082 296121775 /nfs/dbraw/zinc/12/17/75/296121775.db2.gz GLSIUKFVRKYYST-UONOGXRCSA-N 2 1 292.427 2.345 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccncc1F ZINC000340240723 296122013 /nfs/dbraw/zinc/12/20/13/296122013.db2.gz WWQKKGQALMHLHQ-ZIAGYGMSSA-N 2 1 295.402 2.108 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCO[C@H](C)C1 ZINC000346148376 368562537 /nfs/dbraw/zinc/56/25/37/368562537.db2.gz KLLWRAWIPZZXIY-CYBMUJFWSA-N 2 1 286.379 2.187 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)s1 ZINC000682648663 541693881 /nfs/dbraw/zinc/69/38/81/541693881.db2.gz XNRXMWLTQWEDGL-SECBINFHSA-N 2 1 250.371 2.078 20 0 CEADMP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000346237360 368602768 /nfs/dbraw/zinc/60/27/68/368602768.db2.gz MFJGSQKXQPZCBP-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(N)=O ZINC000183031563 368606434 /nfs/dbraw/zinc/60/64/34/368606434.db2.gz JYWPTOFVNBDHNC-KBPBESRZSA-N 2 1 289.423 2.024 20 0 CEADMP CCN(CCn1ccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183757882 368647688 /nfs/dbraw/zinc/64/76/88/368647688.db2.gz KWXXJUMVHRYJMH-GOSISDBHSA-N 2 1 298.434 2.480 20 0 CEADMP CCN(CCn1ccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183757882 368647693 /nfs/dbraw/zinc/64/76/93/368647693.db2.gz KWXXJUMVHRYJMH-GOSISDBHSA-N 2 1 298.434 2.480 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(C)(C)OC)C1 ZINC000346416489 368668198 /nfs/dbraw/zinc/66/81/98/368668198.db2.gz SISYJPQIRPVYGZ-HNNXBMFYSA-N 2 1 286.460 2.234 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000346670634 368761681 /nfs/dbraw/zinc/76/16/81/368761681.db2.gz GRQADPNJTXLONW-GOEBONIOSA-N 2 1 284.407 2.101 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000346680600 368766000 /nfs/dbraw/zinc/76/60/00/368766000.db2.gz CBYXHJRKKYLYKT-UHFFFAOYSA-N 2 1 284.407 2.102 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000346686769 368769544 /nfs/dbraw/zinc/76/95/44/368769544.db2.gz UGIRJJRVJGSGPM-OCCSQVGLSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346642418 368748962 /nfs/dbraw/zinc/74/89/62/368748962.db2.gz MBXAUWKBUIRDRI-VXGBXAGGSA-N 2 1 276.409 2.103 20 0 CEADMP CCOCc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000346646453 368749623 /nfs/dbraw/zinc/74/96/23/368749623.db2.gz NZZNHQXEMMTESH-UKRRQHHQSA-N 2 1 292.423 2.401 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC)C2(C)C)[C@H](C)C1 ZINC000347424394 368808873 /nfs/dbraw/zinc/80/88/73/368808873.db2.gz UMMFQORRQAUYJU-RQJABVFESA-N 2 1 254.418 2.120 20 0 CEADMP C[C@H]1CC[C@H](C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])O1 ZINC000634688357 368817404 /nfs/dbraw/zinc/81/74/04/368817404.db2.gz PTFMQGJHHLDJHK-LXTVHRRPSA-N 2 1 254.418 2.393 20 0 CEADMP O[C@@]1(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC[N@H+](Cc2ccccc2)C1 ZINC000634712929 368835061 /nfs/dbraw/zinc/83/50/61/368835061.db2.gz OJRLPSMKNLTGDW-XMTFNYHQSA-N 2 1 286.419 2.012 20 0 CEADMP O[C@@]1(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712929 368835065 /nfs/dbraw/zinc/83/50/65/368835065.db2.gz OJRLPSMKNLTGDW-XMTFNYHQSA-N 2 1 286.419 2.012 20 0 CEADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732729 368845134 /nfs/dbraw/zinc/84/51/34/368845134.db2.gz NEKVEAONQNUBOK-GFCCVEGCSA-N 2 1 251.374 2.159 20 0 CEADMP O[C@@]1(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC[N@H+](Cc2ccccc2)C1 ZINC000634712928 368835250 /nfs/dbraw/zinc/83/52/50/368835250.db2.gz OJRLPSMKNLTGDW-VSZNYVQBSA-N 2 1 286.419 2.012 20 0 CEADMP O[C@@]1(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712928 368835255 /nfs/dbraw/zinc/83/52/55/368835255.db2.gz OJRLPSMKNLTGDW-VSZNYVQBSA-N 2 1 286.419 2.012 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCCC12CC2 ZINC000634724043 368840950 /nfs/dbraw/zinc/84/09/50/368840950.db2.gz IQSHOMHIOBXNJP-IAGOWNOFSA-N 2 1 288.435 2.402 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCCC12CC2 ZINC000634724043 368840952 /nfs/dbraw/zinc/84/09/52/368840952.db2.gz IQSHOMHIOBXNJP-IAGOWNOFSA-N 2 1 288.435 2.402 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4c3OCCCO4)C[C@@H]12 ZINC000346840860 368790784 /nfs/dbraw/zinc/79/07/84/368790784.db2.gz GRLFOBGUTLNYMZ-BPLDGKMQSA-N 2 1 288.391 2.017 20 0 CEADMP Cc1ccncc1CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000348055245 368876516 /nfs/dbraw/zinc/87/65/16/368876516.db2.gz ZAICFXBUVAJDGC-HOCLYGCPSA-N 2 1 261.413 2.395 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@H]4C[NH2+]CC[C@@H]43)c2c1C ZINC000634812209 368901536 /nfs/dbraw/zinc/90/15/36/368901536.db2.gz CHCPDHGLWPQNQR-STQMWFEESA-N 2 1 285.395 2.153 20 0 CEADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)[C@H]1CCCO1 ZINC000348278369 368981796 /nfs/dbraw/zinc/98/17/96/368981796.db2.gz KRPVLZTWGIDYCN-ZIAGYGMSSA-N 2 1 251.374 2.129 20 0 CEADMP CC[C@H]1CC[C@@H]1Nc1ccc(N2CCN(C)CC2)cn1 ZINC000348388220 369027108 /nfs/dbraw/zinc/02/71/08/369027108.db2.gz ZOQWXRRPKIOJFR-ZFWWWQNUSA-N 2 1 274.412 2.434 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000634997447 369028241 /nfs/dbraw/zinc/02/82/41/369028241.db2.gz LJFDXRDOZKGLIV-OAHLLOKOSA-N 2 1 259.397 2.358 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000634997447 369028245 /nfs/dbraw/zinc/02/82/45/369028245.db2.gz LJFDXRDOZKGLIV-OAHLLOKOSA-N 2 1 259.397 2.358 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000634998242 369029433 /nfs/dbraw/zinc/02/94/33/369029433.db2.gz CLXNHPMXIMWRPW-GXTWGEPZSA-N 2 1 278.396 2.039 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000634998435 369029564 /nfs/dbraw/zinc/02/95/64/369029564.db2.gz FQYGEYXLJTWPOI-GXSJLCMTSA-N 2 1 288.313 2.454 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000634998435 369029567 /nfs/dbraw/zinc/02/95/67/369029567.db2.gz FQYGEYXLJTWPOI-GXSJLCMTSA-N 2 1 288.313 2.454 20 0 CEADMP C[C@H]1C[C@H](CN2CCC(C)([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000634999252 369033701 /nfs/dbraw/zinc/03/37/01/369033701.db2.gz ROGOQQMWNIQTBN-JKSUJKDBSA-N 2 1 279.472 2.325 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnc3ccccn23)CC1 ZINC000682782736 541715115 /nfs/dbraw/zinc/71/51/15/541715115.db2.gz WSJSKYMYLRGQLN-UHFFFAOYSA-N 2 1 284.407 2.395 20 0 CEADMP CC[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccn(C)n1 ZINC000635004066 369040188 /nfs/dbraw/zinc/04/01/88/369040188.db2.gz CYQBOCVDFDGTNY-HZPDHXFCSA-N 2 1 286.423 2.421 20 0 CEADMP CC[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1nccn1C ZINC000635003551 369040239 /nfs/dbraw/zinc/04/02/39/369040239.db2.gz AJJKBCVJYVECAQ-HZPDHXFCSA-N 2 1 286.423 2.421 20 0 CEADMP c1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c2c(c1)C[NH2+]CC2 ZINC000635005682 369041711 /nfs/dbraw/zinc/04/17/11/369041711.db2.gz WGHISTLGTSALMN-GBESFXJTSA-N 2 1 299.462 2.343 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005422 369041946 /nfs/dbraw/zinc/04/19/46/369041946.db2.gz NKVNDQVCOQPCEU-HJWJTTGWSA-N 2 1 275.440 2.052 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008204 369044331 /nfs/dbraw/zinc/04/43/31/369044331.db2.gz RWWFVZUIHYNZDJ-JSGCOSHPSA-N 2 1 290.455 2.278 20 0 CEADMP C[C@@H]1C[C@H](NCC[C@H]([NH3+])Cc2ccccc2)C[N@H+]1C1CC1 ZINC000635009074 369045186 /nfs/dbraw/zinc/04/51/86/369045186.db2.gz SSNZIIPGLNWXQD-PVAVHDDUSA-N 2 1 287.451 2.161 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)CN1C1CC1 ZINC000635009074 369045194 /nfs/dbraw/zinc/04/51/94/369045194.db2.gz SSNZIIPGLNWXQD-PVAVHDDUSA-N 2 1 287.451 2.161 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@@H](C)C1 ZINC000635011951 369050261 /nfs/dbraw/zinc/05/02/61/369050261.db2.gz RNXNMOXUXDVPAU-KSSFIOAISA-N 3 1 287.451 2.152 20 0 CEADMP CC[N@@H+]1CC[C@H](NCc2cccc3c2CC[NH2+]C3)[C@@H](C)C1 ZINC000635011951 369050266 /nfs/dbraw/zinc/05/02/66/369050266.db2.gz RNXNMOXUXDVPAU-KSSFIOAISA-N 2 1 287.451 2.152 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2cccc3c2CC[NH2+]C3)[C@@H](C)C1 ZINC000635011951 369050272 /nfs/dbraw/zinc/05/02/72/369050272.db2.gz RNXNMOXUXDVPAU-KSSFIOAISA-N 2 1 287.451 2.152 20 0 CEADMP CCN1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@@H](C)C1 ZINC000635011951 369050276 /nfs/dbraw/zinc/05/02/76/369050276.db2.gz RNXNMOXUXDVPAU-KSSFIOAISA-N 2 1 287.451 2.152 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000348641912 369109344 /nfs/dbraw/zinc/10/93/44/369109344.db2.gz MMUAEQZWLWKSGX-AEGPPILISA-N 2 1 275.396 2.368 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000348641912 369109350 /nfs/dbraw/zinc/10/93/50/369109350.db2.gz MMUAEQZWLWKSGX-AEGPPILISA-N 2 1 275.396 2.368 20 0 CEADMP COC[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000187474374 369166455 /nfs/dbraw/zinc/16/64/55/369166455.db2.gz SIDCLVQAMPGJLW-IIAWOOMASA-N 2 1 266.429 2.218 20 0 CEADMP COC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000187474374 369166461 /nfs/dbraw/zinc/16/64/61/369166461.db2.gz SIDCLVQAMPGJLW-IIAWOOMASA-N 2 1 266.429 2.218 20 0 CEADMP COC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000187474374 369166467 /nfs/dbraw/zinc/16/64/67/369166467.db2.gz SIDCLVQAMPGJLW-IIAWOOMASA-N 2 1 266.429 2.218 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000348951936 369207037 /nfs/dbraw/zinc/20/70/37/369207037.db2.gz SZIIVHAFLPYCNZ-MRXNPFEDSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000348951936 369207045 /nfs/dbraw/zinc/20/70/45/369207045.db2.gz SZIIVHAFLPYCNZ-MRXNPFEDSA-N 2 1 277.412 2.473 20 0 CEADMP COC[C@H](C)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000187816808 369230040 /nfs/dbraw/zinc/23/00/40/369230040.db2.gz BCRSCJNWQYYBCR-SJLPKXTDSA-N 2 1 290.451 2.423 20 0 CEADMP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635841865 369371558 /nfs/dbraw/zinc/37/15/58/369371558.db2.gz BXPYBQAZEZFWGU-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)OCC[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000349887420 369438330 /nfs/dbraw/zinc/43/83/30/369438330.db2.gz ZFKKOEROADWKDW-SJORKVTESA-N 2 1 298.471 2.113 20 0 CEADMP CC(C)OCC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000349887418 369438670 /nfs/dbraw/zinc/43/86/70/369438670.db2.gz ZFKKOEROADWKDW-IAGOWNOFSA-N 2 1 298.471 2.113 20 0 CEADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000358228374 370960992 /nfs/dbraw/zinc/96/09/92/370960992.db2.gz FQBZSOITQSWROT-CABCVRRESA-N 2 1 282.815 2.447 20 0 CEADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000358228374 370960999 /nfs/dbraw/zinc/96/09/99/370960999.db2.gz FQBZSOITQSWROT-CABCVRRESA-N 2 1 282.815 2.447 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189085196 369455438 /nfs/dbraw/zinc/45/54/38/369455438.db2.gz NCSWTCGMZPFEGH-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)c(F)c1 ZINC000636024128 369467639 /nfs/dbraw/zinc/46/76/39/369467639.db2.gz IALLKXWBCQZCRD-ZDUSSCGKSA-N 2 1 293.386 2.168 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000246356573 370951184 /nfs/dbraw/zinc/95/11/84/370951184.db2.gz WVPROAVUIIKBAY-OLZOCXBDSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000246356573 370951192 /nfs/dbraw/zinc/95/11/92/370951192.db2.gz WVPROAVUIIKBAY-OLZOCXBDSA-N 2 1 251.374 2.081 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000358227132 370960906 /nfs/dbraw/zinc/96/09/06/370960906.db2.gz NSOZSICOSXEPFF-PVAVHDDUSA-N 2 1 274.408 2.418 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000358227132 370960911 /nfs/dbraw/zinc/96/09/11/370960911.db2.gz NSOZSICOSXEPFF-PVAVHDDUSA-N 2 1 274.408 2.418 20 0 CEADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358253170 370974750 /nfs/dbraw/zinc/97/47/50/370974750.db2.gz NPHKFXGSFOATRU-KFWWJZLASA-N 2 1 254.418 2.002 20 0 CEADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358253170 370974754 /nfs/dbraw/zinc/97/47/54/370974754.db2.gz NPHKFXGSFOATRU-KFWWJZLASA-N 2 1 254.418 2.002 20 0 CEADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC000358255917 370976353 /nfs/dbraw/zinc/97/63/53/370976353.db2.gz QYYDGCLEIMUYPP-HZPDHXFCSA-N 2 1 268.445 2.392 20 0 CEADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC000358255917 370976355 /nfs/dbraw/zinc/97/63/55/370976355.db2.gz QYYDGCLEIMUYPP-HZPDHXFCSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358265621 370982409 /nfs/dbraw/zinc/98/24/09/370982409.db2.gz ZZWNSCPFBWSSNT-YJBOKZPZSA-N 2 1 290.451 2.399 20 0 CEADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358265621 370982414 /nfs/dbraw/zinc/98/24/14/370982414.db2.gz ZZWNSCPFBWSSNT-YJBOKZPZSA-N 2 1 290.451 2.399 20 0 CEADMP Cc1ccc(C[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C(C)C)cc1 ZINC000358261891 370979951 /nfs/dbraw/zinc/97/99/51/370979951.db2.gz ZWAFOXGBXGEMJS-ZWKOTPCHSA-N 2 1 290.451 2.218 20 0 CEADMP Cc1ccc(C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C(C)C)cc1 ZINC000358261891 370979954 /nfs/dbraw/zinc/97/99/54/370979954.db2.gz ZWAFOXGBXGEMJS-ZWKOTPCHSA-N 2 1 290.451 2.218 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](COC)CC(C)C)C1 ZINC000358261492 370980069 /nfs/dbraw/zinc/98/00/69/370980069.db2.gz YJJINDSCVRMSPX-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP CC[C@H](C)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000350990940 369592492 /nfs/dbraw/zinc/59/24/92/369592492.db2.gz NYJZHJOCSXTWGT-LJISPDSOSA-N 2 1 254.418 2.216 20 0 CEADMP C[N@@H+](C[C@H](O)CNC1(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000351572240 369640591 /nfs/dbraw/zinc/64/05/91/369640591.db2.gz CZPDMXWTGGFNPK-OAHLLOKOSA-N 2 1 294.826 2.374 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000351684047 369649606 /nfs/dbraw/zinc/64/96/06/369649606.db2.gz HMRGCMUQKSPBAN-SJORKVTESA-N 2 1 279.472 2.421 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NC(C)(C)C ZINC000191511982 369719821 /nfs/dbraw/zinc/71/98/21/369719821.db2.gz PASSUTOHWNSYND-UHFFFAOYSA-N 2 1 294.443 2.072 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NC(C)(C)C ZINC000191511982 369719825 /nfs/dbraw/zinc/71/98/25/369719825.db2.gz PASSUTOHWNSYND-UHFFFAOYSA-N 2 1 294.443 2.072 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)C1)C1CC1 ZINC000352351432 369685009 /nfs/dbraw/zinc/68/50/09/369685009.db2.gz XWHWUZMRMUUIFF-HIFRSBDPSA-N 2 1 268.445 2.200 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)C1)C1CC1 ZINC000352351432 369685015 /nfs/dbraw/zinc/68/50/15/369685015.db2.gz XWHWUZMRMUUIFF-HIFRSBDPSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)C)C1)C1CC1 ZINC000352351432 369685020 /nfs/dbraw/zinc/68/50/20/369685020.db2.gz XWHWUZMRMUUIFF-HIFRSBDPSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](C(C)(C)C)C1)C1CC1 ZINC000352351432 369685024 /nfs/dbraw/zinc/68/50/24/369685024.db2.gz XWHWUZMRMUUIFF-HIFRSBDPSA-N 2 1 268.445 2.200 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000352378526 369698888 /nfs/dbraw/zinc/69/88/88/369698888.db2.gz NRSLOFQHCIDQNJ-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@H]1C[C@H](C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000352485212 369753293 /nfs/dbraw/zinc/75/32/93/369753293.db2.gz ARMTTYBJILFVFM-DZGCQCFKSA-N 2 1 289.423 2.417 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CCO1 ZINC000352611424 369806420 /nfs/dbraw/zinc/80/64/20/369806420.db2.gz HNGUFLKKRSDFKU-KLHDSHLOSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCO1 ZINC000352611424 369806425 /nfs/dbraw/zinc/80/64/25/369806425.db2.gz HNGUFLKKRSDFKU-KLHDSHLOSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCO1 ZINC000352611424 369806431 /nfs/dbraw/zinc/80/64/31/369806431.db2.gz HNGUFLKKRSDFKU-KLHDSHLOSA-N 2 1 266.429 2.218 20 0 CEADMP Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])n2c1 ZINC000352535430 369776077 /nfs/dbraw/zinc/77/60/77/369776077.db2.gz QKJNQGQKQOKJCZ-CQSZACIVSA-N 2 1 272.396 2.346 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3CC[NH3+])n2c1 ZINC000352535430 369776079 /nfs/dbraw/zinc/77/60/79/369776079.db2.gz QKJNQGQKQOKJCZ-CQSZACIVSA-N 2 1 272.396 2.346 20 0 CEADMP COCCOc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000352540579 369779046 /nfs/dbraw/zinc/77/90/46/369779046.db2.gz MZCPPOBFVLWJDI-INIZCTEOSA-N 2 1 292.423 2.415 20 0 CEADMP CCOC1CC(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352708383 369848197 /nfs/dbraw/zinc/84/81/97/369848197.db2.gz WFIUFPMQOPIBMS-UHFFFAOYSA-N 2 1 297.468 2.500 20 0 CEADMP C[NH+](C)CCOC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000352829345 369901078 /nfs/dbraw/zinc/90/10/78/369901078.db2.gz QIXHTKWCBZGYOU-UHFFFAOYSA-N 2 1 283.803 2.282 20 0 CEADMP CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)[NH+]1CCCC1 ZINC000353434499 370112457 /nfs/dbraw/zinc/11/24/57/370112457.db2.gz JLGIJVQMVIJSEK-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC([NH2+]CC3CC3)CC2)c1 ZINC000213583940 370169477 /nfs/dbraw/zinc/16/94/77/370169477.db2.gz VKYQOQUDVUEXFA-UHFFFAOYSA-N 2 1 289.423 2.363 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCO1 ZINC000353628282 370119266 /nfs/dbraw/zinc/11/92/66/370119266.db2.gz AYWOYMTZLORPEM-RYPNDVFKSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1CCC(O)CC1 ZINC000353673689 370122586 /nfs/dbraw/zinc/12/25/86/370122586.db2.gz RUVAHTICLPZJOA-NFOMZHRRSA-N 2 1 254.418 2.144 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000353911894 370132911 /nfs/dbraw/zinc/13/29/11/370132911.db2.gz HAYPBUXOCGCMSI-ZIAGYGMSSA-N 2 1 284.444 2.428 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000353911894 370132914 /nfs/dbraw/zinc/13/29/14/370132914.db2.gz HAYPBUXOCGCMSI-ZIAGYGMSSA-N 2 1 284.444 2.428 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H]1C ZINC000353927401 370140697 /nfs/dbraw/zinc/14/06/97/370140697.db2.gz INFHUGJZERSCOX-RFBLXINOSA-N 2 1 294.439 2.181 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H]1C ZINC000353927401 370140703 /nfs/dbraw/zinc/14/07/03/370140703.db2.gz INFHUGJZERSCOX-RFBLXINOSA-N 2 1 294.439 2.181 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CC2)CC[N@H+]1C ZINC000353974839 370160301 /nfs/dbraw/zinc/16/03/01/370160301.db2.gz SQNJWFOVSOVGQQ-UWVGGRQHSA-N 2 1 250.308 2.401 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](OC)C2CCOCC2)CC1 ZINC000637955017 370196455 /nfs/dbraw/zinc/19/64/55/370196455.db2.gz CBIUOAGUUVLENQ-KRWDZBQOSA-N 2 1 298.471 2.234 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](OC)C2CCOCC2)C1 ZINC000638122158 370318499 /nfs/dbraw/zinc/31/84/99/370318499.db2.gz IZNBTKFSSFMEHI-NVXWUHKLSA-N 2 1 298.471 2.092 20 0 CEADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1C(C)(C)C1(C)C ZINC000354217023 370263957 /nfs/dbraw/zinc/26/39/57/370263957.db2.gz PEUDVRXZJLNDQF-ZDUSSCGKSA-N 2 1 282.472 2.494 20 0 CEADMP CC(C)CC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000638068126 370278420 /nfs/dbraw/zinc/27/84/20/370278420.db2.gz BCCOWJAVIDXZGC-OAHLLOKOSA-N 2 1 283.460 2.131 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)C3=CC[C@@H]([NH3+])C3)c2C1 ZINC000638089129 370291362 /nfs/dbraw/zinc/29/13/62/370291362.db2.gz NVATVDBTGMWXPK-CQSZACIVSA-N 2 1 285.391 2.398 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638110519 370307445 /nfs/dbraw/zinc/30/74/45/370307445.db2.gz GCERFTVHVLATKX-DZGCQCFKSA-N 2 1 293.455 2.051 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc(OC)s2)C[C@H]1C ZINC000638112589 370308651 /nfs/dbraw/zinc/30/86/51/370308651.db2.gz YZGZKBNTUCAOHZ-VXGBXAGGSA-N 2 1 283.441 2.456 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@](C)(CC)OC)[C@@H](C)C1 ZINC000638114233 370311006 /nfs/dbraw/zinc/31/10/06/370311006.db2.gz TZCFBIWZVRGGHJ-KKUMJFAQSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@](C)(CC)OC)[C@@H](C)C1 ZINC000638114233 370311015 /nfs/dbraw/zinc/31/10/15/370311015.db2.gz TZCFBIWZVRGGHJ-KKUMJFAQSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@](C)(CC)OC)[C@@H](C)C1 ZINC000638114233 370311020 /nfs/dbraw/zinc/31/10/20/370311020.db2.gz TZCFBIWZVRGGHJ-KKUMJFAQSA-N 2 1 256.434 2.464 20 0 CEADMP COc1ccc(OCC[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000226434892 370342124 /nfs/dbraw/zinc/34/21/24/370342124.db2.gz DPTQRXOZTGWPCL-AWEZNQCLSA-N 2 1 278.396 2.005 20 0 CEADMP Cc1ccccc1OCC[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226435257 370342211 /nfs/dbraw/zinc/34/22/11/370342211.db2.gz QNLOBDZPPQQTMH-OAHLLOKOSA-N 2 1 262.397 2.305 20 0 CEADMP COc1ccc(CC[NH2+]CC[NH2+]C(C)(C)C)cc1OC ZINC000228726719 370413330 /nfs/dbraw/zinc/41/33/30/370413330.db2.gz NUMSOXOMBAMEOA-UHFFFAOYSA-N 2 1 280.412 2.224 20 0 CEADMP C[NH+](C)C1(C[NH2+]CCC[C@H]2CCO2)CCCCC1 ZINC000638282045 370419189 /nfs/dbraw/zinc/41/91/89/370419189.db2.gz XJFMSUZQYXAJHV-AWEZNQCLSA-N 2 1 254.418 2.410 20 0 CEADMP CO[C@](C)(C[NH2+]C[C@H](C)Cn1cc[nH+]c1C)C1CC1 ZINC000638336089 370453237 /nfs/dbraw/zinc/45/32/37/370453237.db2.gz XZLPAKFRSWFJJZ-SWLSCSKDSA-N 2 1 265.401 2.232 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)ccn1 ZINC000638369111 370478301 /nfs/dbraw/zinc/47/83/01/370478301.db2.gz PNVJLHKSECJDGI-BPUTZDHNSA-N 2 1 289.423 2.238 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)ccn1 ZINC000638369111 370478305 /nfs/dbraw/zinc/47/83/05/370478305.db2.gz PNVJLHKSECJDGI-BPUTZDHNSA-N 2 1 289.423 2.238 20 0 CEADMP CC[C@H](C[NH2+]CC1(COC)CCC1)[NH+]1CCCC1 ZINC000638354112 370464009 /nfs/dbraw/zinc/46/40/09/370464009.db2.gz GRZFBYAMDNEUME-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP CO[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)CC(C)C ZINC000638358811 370467607 /nfs/dbraw/zinc/46/76/07/370467607.db2.gz KLNCQSIQRKGJHM-ZFWWWQNUSA-N 2 1 254.418 2.121 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNCc2cc(C3CC3)no2)C1 ZINC000638409683 370509824 /nfs/dbraw/zinc/50/98/24/370509824.db2.gz OLHXFSUEXAIPSX-LBPRGKRZSA-N 2 1 263.385 2.374 20 0 CEADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)nc1 ZINC000355218445 370548939 /nfs/dbraw/zinc/54/89/39/370548939.db2.gz IQSMYNMZGIUYGX-GVDBMIGSSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)nc1 ZINC000355218445 370548940 /nfs/dbraw/zinc/54/89/40/370548940.db2.gz IQSMYNMZGIUYGX-GVDBMIGSSA-N 2 1 289.423 2.074 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1F ZINC000234929328 370550054 /nfs/dbraw/zinc/55/00/54/370550054.db2.gz IUSRJWCUEDGOGG-AWEZNQCLSA-N 2 1 252.333 2.005 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1F ZINC000234929328 370550058 /nfs/dbraw/zinc/55/00/58/370550058.db2.gz IUSRJWCUEDGOGG-AWEZNQCLSA-N 2 1 252.333 2.005 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CS1 ZINC000638558654 370605067 /nfs/dbraw/zinc/60/50/67/370605067.db2.gz ZTSJFKCKGXSXSG-KBPBESRZSA-N 2 1 284.469 2.115 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC1(F)F ZINC000638557742 370605111 /nfs/dbraw/zinc/60/51/11/370605111.db2.gz KSWALOHEXPOWRY-STQMWFEESA-N 2 1 288.382 2.265 20 0 CEADMP CO[C@@H](C[NH2+][C@@H]1CCc2[nH+]ccn2C1)Cc1ccccc1 ZINC000638495047 370571704 /nfs/dbraw/zinc/57/17/04/370571704.db2.gz DWBMQVGDWGYFQA-HZPDHXFCSA-N 2 1 285.391 2.045 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(CC)CC[NH3+])cc1 ZINC000638517277 370585235 /nfs/dbraw/zinc/58/52/35/370585235.db2.gz QGUPWUPUCSDNMQ-UHFFFAOYSA-N 2 1 291.439 2.339 20 0 CEADMP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[NH+](CC)CC ZINC000356211088 370627428 /nfs/dbraw/zinc/62/74/28/370627428.db2.gz FUQZYTUZKAWXSL-DOTOQJQBSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C1(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000638619747 370638338 /nfs/dbraw/zinc/63/83/38/370638338.db2.gz NNLAMOZNTVZPCQ-OAHLLOKOSA-N 2 1 268.445 2.249 20 0 CEADMP CO[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCC1 ZINC000639120000 370997124 /nfs/dbraw/zinc/99/71/24/370997124.db2.gz KFENRZMKGZWDCE-WBVHZDCISA-N 2 1 298.471 2.282 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000358294127 370998956 /nfs/dbraw/zinc/99/89/56/370998956.db2.gz YMVDKGMJOMFMNE-ILXRZTDVSA-N 2 1 290.407 2.146 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCCc2cnn(C)c2)C1 ZINC000638566428 370609076 /nfs/dbraw/zinc/60/90/76/370609076.db2.gz IKWYCVMJHXXTST-HNNXBMFYSA-N 2 1 278.444 2.063 20 0 CEADMP OCc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000639125312 371003608 /nfs/dbraw/zinc/00/36/08/371003608.db2.gz RHQFUMVLFFNIGD-UHFFFAOYSA-N 2 1 274.408 2.285 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)CC[N@@H+]1C ZINC000639175858 371051041 /nfs/dbraw/zinc/05/10/41/371051041.db2.gz AMSNDZCZNFQBRC-GBVHOQHVSA-N 2 1 256.393 2.397 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)CC[N@H+]1C ZINC000639175858 371051043 /nfs/dbraw/zinc/05/10/43/371051043.db2.gz AMSNDZCZNFQBRC-GBVHOQHVSA-N 2 1 256.393 2.397 20 0 CEADMP COc1ncc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000639176170 371051315 /nfs/dbraw/zinc/05/13/15/371051315.db2.gz CUVSPDZBYZKPMW-CYBMUJFWSA-N 2 1 295.452 2.315 20 0 CEADMP c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358348687 371028803 /nfs/dbraw/zinc/02/88/03/371028803.db2.gz VZRWCPOEKDIOPE-CABCVRRESA-N 2 1 284.407 2.322 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cn(C)nc2C)C1 ZINC000246943809 371034348 /nfs/dbraw/zinc/03/43/48/371034348.db2.gz HTFLZWLOHUGRTR-TZMCWYRMSA-N 2 1 264.417 2.111 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cn(C)nc2C)C1 ZINC000246943809 371034351 /nfs/dbraw/zinc/03/43/51/371034351.db2.gz HTFLZWLOHUGRTR-TZMCWYRMSA-N 2 1 264.417 2.111 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000247038712 371052294 /nfs/dbraw/zinc/05/22/94/371052294.db2.gz OBGRWLSBNFBBIK-BZUAXINKSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000247038712 371052299 /nfs/dbraw/zinc/05/22/99/371052299.db2.gz OBGRWLSBNFBBIK-BZUAXINKSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000247038712 371052303 /nfs/dbraw/zinc/05/23/03/371052303.db2.gz OBGRWLSBNFBBIK-BZUAXINKSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000247038712 371052308 /nfs/dbraw/zinc/05/23/08/371052308.db2.gz OBGRWLSBNFBBIK-BZUAXINKSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000247038712 371052317 /nfs/dbraw/zinc/05/23/17/371052317.db2.gz OBGRWLSBNFBBIK-BZUAXINKSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000247038712 371052320 /nfs/dbraw/zinc/05/23/20/371052320.db2.gz OBGRWLSBNFBBIK-BZUAXINKSA-N 3 1 267.461 2.179 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)[C@]12CCCO2 ZINC000639169743 371042776 /nfs/dbraw/zinc/04/27/76/371042776.db2.gz JJGJHUNXXCYQMP-QBPKDAKJSA-N 2 1 296.455 2.033 20 0 CEADMP CC(=O)Nc1cccc([C@H](C)N[C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000358411499 371055307 /nfs/dbraw/zinc/05/53/07/371055307.db2.gz ZASFKYCWUIYPMC-WQGACYEGSA-N 2 1 275.396 2.246 20 0 CEADMP CC(=O)Nc1cccc([C@H](C)N[C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000358411499 371055312 /nfs/dbraw/zinc/05/53/12/371055312.db2.gz ZASFKYCWUIYPMC-WQGACYEGSA-N 2 1 275.396 2.246 20 0 CEADMP Cn1cccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247223571 371078065 /nfs/dbraw/zinc/07/80/65/371078065.db2.gz WADQTIFGMQASAN-YOEHRIQHSA-N 2 1 273.424 2.474 20 0 CEADMP CCc1cc(N2CCC[C@H]([NH+](C)C)CC2)nc(C)[nH+]1 ZINC000276949825 541829515 /nfs/dbraw/zinc/82/95/15/541829515.db2.gz BNXFVPVKOJJZSB-AWEZNQCLSA-N 2 1 262.401 2.268 20 0 CEADMP CC[C@H](C)[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)OC ZINC000639208521 371097058 /nfs/dbraw/zinc/09/70/58/371097058.db2.gz XDCLFAIVCKQFHN-ARFHVFGLSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@H](C)[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)OC ZINC000639208521 371097064 /nfs/dbraw/zinc/09/70/64/371097064.db2.gz XDCLFAIVCKQFHN-ARFHVFGLSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@H](C)[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)OC ZINC000639208521 371097068 /nfs/dbraw/zinc/09/70/68/371097068.db2.gz XDCLFAIVCKQFHN-ARFHVFGLSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000358552748 371113019 /nfs/dbraw/zinc/11/30/19/371113019.db2.gz APICMQUPHVCOCW-MRXNPFEDSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247966236 371150471 /nfs/dbraw/zinc/15/04/71/371150471.db2.gz GVAQMGBIUNBPLR-BNOWGMLFSA-N 2 1 290.411 2.424 20 0 CEADMP CO[C@@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)CC(C)C ZINC000639256784 371156334 /nfs/dbraw/zinc/15/63/34/371156334.db2.gz FUJOPLYWDZTURB-HUUCEWRRSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)CC[N@@H+]1C ZINC000639247903 371145979 /nfs/dbraw/zinc/14/59/79/371145979.db2.gz AGLCIVAESYKCES-JYYAWHABSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)CC[N@H+]1C ZINC000639247903 371145986 /nfs/dbraw/zinc/14/59/86/371145986.db2.gz AGLCIVAESYKCES-JYYAWHABSA-N 2 1 289.423 2.374 20 0 CEADMP FC(F)C(F)(F)COCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000683693679 541844552 /nfs/dbraw/zinc/84/45/52/541844552.db2.gz AZHPQVMZABNIBH-GHMZBOCLSA-N 2 1 298.324 2.120 20 0 CEADMP Oc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000683722346 541848679 /nfs/dbraw/zinc/84/86/79/541848679.db2.gz FSTVGUGCURIENL-BBWFWOEESA-N 2 1 286.419 2.466 20 0 CEADMP CC[N@@H+](CCC[NH2+][C@@H]1CCCNC(=O)C1)C1CCCCC1 ZINC000639292062 371195280 /nfs/dbraw/zinc/19/52/80/371195280.db2.gz ZTJBVVIEFNQEFV-OAHLLOKOSA-N 2 1 295.471 2.289 20 0 CEADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000358762602 371209685 /nfs/dbraw/zinc/20/96/85/371209685.db2.gz YOWVSKIYUQBYIE-SLEUVZQESA-N 2 1 284.831 2.344 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000248727655 371239814 /nfs/dbraw/zinc/23/98/14/371239814.db2.gz JAMUAGLGEJVVJA-NVXWUHKLSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000248727655 371239816 /nfs/dbraw/zinc/23/98/16/371239816.db2.gz JAMUAGLGEJVVJA-NVXWUHKLSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000248727655 371239818 /nfs/dbraw/zinc/23/98/18/371239818.db2.gz JAMUAGLGEJVVJA-NVXWUHKLSA-N 2 1 296.455 2.382 20 0 CEADMP OCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000639336837 371246883 /nfs/dbraw/zinc/24/68/83/371246883.db2.gz GASFSIGZOJPETD-SFHVURJKSA-N 2 1 288.435 2.391 20 0 CEADMP c1cnn(C2CC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)C2)c1 ZINC000639339172 371250629 /nfs/dbraw/zinc/25/06/29/371250629.db2.gz ZLEUXHYZRSASNM-KLAILNCOSA-N 2 1 288.439 2.298 20 0 CEADMP CO[C@@]1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000249031910 371285376 /nfs/dbraw/zinc/28/53/76/371285376.db2.gz RJPFULMSWUPXFU-RULBPXPUSA-N 2 1 266.429 2.405 20 0 CEADMP O[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC000249266017 371307990 /nfs/dbraw/zinc/30/79/90/371307990.db2.gz IMEQVUPJQAOOPM-OLZOCXBDSA-N 2 1 294.361 2.250 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC000249266017 371307994 /nfs/dbraw/zinc/30/79/94/371307994.db2.gz IMEQVUPJQAOOPM-OLZOCXBDSA-N 2 1 294.361 2.250 20 0 CEADMP C[N@@H+](Cc1ccc(-n2cccn2)cc1)[C@@H]1CN2CCC1CC2 ZINC000639396247 371309296 /nfs/dbraw/zinc/30/92/96/371309296.db2.gz IMCCVQHVADVEBR-GOSISDBHSA-N 2 1 296.418 2.398 20 0 CEADMP CN(Cc1ccc(-n2cccn2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639396247 371309301 /nfs/dbraw/zinc/30/93/01/371309301.db2.gz IMCCVQHVADVEBR-GOSISDBHSA-N 2 1 296.418 2.398 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C[C@H]1CCCOC1 ZINC000359152662 371355671 /nfs/dbraw/zinc/35/56/71/371355671.db2.gz JVOAYYCLYRIWLV-HUUCEWRRSA-N 2 1 254.418 2.267 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCCC[C@H]2[C@H](C)[NH3+])c1C ZINC000250879361 371393458 /nfs/dbraw/zinc/39/34/58/371393458.db2.gz SPLJELOLEOIDES-ZFWWWQNUSA-N 2 1 277.412 2.409 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCCC[C@@H]2[C@H](C)[NH3+])c1C ZINC000250879358 371393603 /nfs/dbraw/zinc/39/36/03/371393603.db2.gz SPLJELOLEOIDES-DZGCQCFKSA-N 2 1 277.412 2.409 20 0 CEADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000251065656 371396397 /nfs/dbraw/zinc/39/63/97/371396397.db2.gz DDMWCFCDHVSDDM-ULQDDVLXSA-N 2 1 274.408 2.111 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251389842 371400626 /nfs/dbraw/zinc/40/06/26/371400626.db2.gz JOLHLNPUWZBUID-JYJNAYRXSA-N 2 1 297.487 2.377 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251389842 371400629 /nfs/dbraw/zinc/40/06/29/371400629.db2.gz JOLHLNPUWZBUID-JYJNAYRXSA-N 2 1 297.487 2.377 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639509184 371371324 /nfs/dbraw/zinc/37/13/24/371371324.db2.gz YSXVAUXOESVQAH-HZPDHXFCSA-N 2 1 298.471 2.234 20 0 CEADMP Cc1nc(C[C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)no1 ZINC000359196925 371372994 /nfs/dbraw/zinc/37/29/94/371372994.db2.gz AFJJRMLCNJDQMH-HNNXBMFYSA-N 2 1 292.427 2.022 20 0 CEADMP Cc1nccn1C[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359230950 371385704 /nfs/dbraw/zinc/38/57/04/371385704.db2.gz ZPKHLHIFDQKQGP-INIZCTEOSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359230950 371385713 /nfs/dbraw/zinc/38/57/13/371385713.db2.gz ZPKHLHIFDQKQGP-INIZCTEOSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359230950 371385718 /nfs/dbraw/zinc/38/57/18/371385718.db2.gz ZPKHLHIFDQKQGP-INIZCTEOSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1nc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)co1 ZINC000639682872 371492045 /nfs/dbraw/zinc/49/20/45/371492045.db2.gz BUADWFYUQARGNX-UHFFFAOYSA-N 2 1 272.352 2.090 20 0 CEADMP Cc1nc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)co1 ZINC000639682872 371492048 /nfs/dbraw/zinc/49/20/48/371492048.db2.gz BUADWFYUQARGNX-UHFFFAOYSA-N 2 1 272.352 2.090 20 0 CEADMP [NH3+]CC1(CC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCCCC1 ZINC000252881129 371486645 /nfs/dbraw/zinc/48/66/45/371486645.db2.gz ZQFGSSLSSDZWGE-LSDHHAIUSA-N 2 1 293.455 2.029 20 0 CEADMP CO[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)CC[C@@H]1C ZINC000252004886 371429275 /nfs/dbraw/zinc/42/92/75/371429275.db2.gz WYMGTBJDCMHNMG-ZFWWWQNUSA-N 2 1 265.401 2.329 20 0 CEADMP CO[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CC[C@@H]1C ZINC000252004886 371429281 /nfs/dbraw/zinc/42/92/81/371429281.db2.gz WYMGTBJDCMHNMG-ZFWWWQNUSA-N 2 1 265.401 2.329 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000252104913 371431612 /nfs/dbraw/zinc/43/16/12/371431612.db2.gz GVVYKNUMTBIBRF-HZPDHXFCSA-N 2 1 295.471 2.147 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000252656872 371462488 /nfs/dbraw/zinc/46/24/88/371462488.db2.gz WJEFYUMERUMFPB-DLBZAZTESA-N 2 1 279.472 2.279 20 0 CEADMP Cc1cc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1F ZINC000252667928 371464153 /nfs/dbraw/zinc/46/41/53/371464153.db2.gz PYWYFFUCWOETOD-LSDHHAIUSA-N 2 1 278.371 2.087 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)ccc1F ZINC000252667928 371464157 /nfs/dbraw/zinc/46/41/57/371464157.db2.gz PYWYFFUCWOETOD-LSDHHAIUSA-N 2 1 278.371 2.087 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252710083 371470759 /nfs/dbraw/zinc/47/07/59/371470759.db2.gz FQVSULQDBLFSKT-COXVUDFISA-N 2 1 292.398 2.210 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252710083 371470761 /nfs/dbraw/zinc/47/07/61/371470761.db2.gz FQVSULQDBLFSKT-COXVUDFISA-N 2 1 292.398 2.210 20 0 CEADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cncs1 ZINC000252715509 371472418 /nfs/dbraw/zinc/47/24/18/371472418.db2.gz VVCTUZHJVVGTKW-TUAOUCFPSA-N 2 1 251.399 2.421 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cncs1 ZINC000252715509 371472422 /nfs/dbraw/zinc/47/24/22/371472422.db2.gz VVCTUZHJVVGTKW-TUAOUCFPSA-N 2 1 251.399 2.421 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cncs1 ZINC000252715509 371472425 /nfs/dbraw/zinc/47/24/25/371472425.db2.gz VVCTUZHJVVGTKW-TUAOUCFPSA-N 2 1 251.399 2.421 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC000639657112 371472792 /nfs/dbraw/zinc/47/27/92/371472792.db2.gz VRLVXKNRWGIGFM-GOEBONIOSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC000639657112 371472798 /nfs/dbraw/zinc/47/27/98/371472798.db2.gz VRLVXKNRWGIGFM-GOEBONIOSA-N 2 1 266.429 2.219 20 0 CEADMP c1cc(N2CCC[N@H+](CC[C@H]3CCCO3)CC2)cc[nH+]1 ZINC000639682837 371491564 /nfs/dbraw/zinc/49/15/64/371491564.db2.gz AWIHPQGMXADWFE-MRXNPFEDSA-N 2 1 275.396 2.163 20 0 CEADMP COCC[C@@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681939 371491598 /nfs/dbraw/zinc/49/15/98/371491598.db2.gz ANYKFSYSKNBSDI-CQSZACIVSA-N 2 1 263.385 2.019 20 0 CEADMP Cc1noc([C@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639681892 371491778 /nfs/dbraw/zinc/49/17/78/371491778.db2.gz HGRQAQSYMRZBPG-LBPRGKRZSA-N 2 1 287.367 2.046 20 0 CEADMP Cc1noc([C@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639681892 371491782 /nfs/dbraw/zinc/49/17/82/371491782.db2.gz HGRQAQSYMRZBPG-LBPRGKRZSA-N 2 1 287.367 2.046 20 0 CEADMP CC1CC[NH+](CCN2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)CC1 ZINC000639747045 371538725 /nfs/dbraw/zinc/53/87/25/371538725.db2.gz POVGPTZOLBDGMR-MRXNPFEDSA-N 2 1 281.488 2.380 20 0 CEADMP COc1ncccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755219 371546171 /nfs/dbraw/zinc/54/61/71/371546171.db2.gz ILFGDJKDOVTPHL-UHFFFAOYSA-N 2 1 275.396 2.008 20 0 CEADMP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639760590 371547729 /nfs/dbraw/zinc/54/77/29/371547729.db2.gz GWGGIOUGLJCSON-NVXWUHKLSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639760590 371547739 /nfs/dbraw/zinc/54/77/39/371547739.db2.gz GWGGIOUGLJCSON-NVXWUHKLSA-N 2 1 276.424 2.445 20 0 CEADMP C[NH+]1CCC2(CC[N@H+](Cc3nc(C4CCC4)no3)C2)CC1 ZINC000639758845 371549232 /nfs/dbraw/zinc/54/92/32/371549232.db2.gz XXVXFXPUUOLYLS-UHFFFAOYSA-N 2 1 290.411 2.255 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3nc(C4CCC4)no3)C2)CC1 ZINC000639758845 371549237 /nfs/dbraw/zinc/54/92/37/371549237.db2.gz XXVXFXPUUOLYLS-UHFFFAOYSA-N 2 1 290.411 2.255 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC2=CCCCC2)C1 ZINC000639764748 371552672 /nfs/dbraw/zinc/55/26/72/371552672.db2.gz XAWQHMQAMSZXMA-MRXNPFEDSA-N 2 1 266.429 2.265 20 0 CEADMP COc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cn1 ZINC000639683295 371493450 /nfs/dbraw/zinc/49/34/50/371493450.db2.gz VYMOFZQYIXSXRZ-UHFFFAOYSA-N 2 1 298.390 2.198 20 0 CEADMP Cc1ccccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000360963376 371564808 /nfs/dbraw/zinc/56/48/08/371564808.db2.gz XFWHSPZYQFOXNE-GOSISDBHSA-N 2 1 287.451 2.207 20 0 CEADMP Cc1nc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cs1 ZINC000361003203 371592880 /nfs/dbraw/zinc/59/28/80/371592880.db2.gz NPSMGOFRCMXVCW-OCCSQVGLSA-N 2 1 297.468 2.339 20 0 CEADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000361008572 371596077 /nfs/dbraw/zinc/59/60/77/371596077.db2.gz FXSUPCFXKYDNGR-KLHDSHLOSA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN[C@](C)(CC)c1ccc(F)cc1 ZINC000639930197 371680325 /nfs/dbraw/zinc/68/03/25/371680325.db2.gz ZTTJREDXOGHYCY-JKSUJKDBSA-N 2 1 282.403 2.353 20 0 CEADMP CCN(C)C[C@@H](O)C[NH2+][C@](C)(CC)c1ccc(F)cc1 ZINC000639930197 371680326 /nfs/dbraw/zinc/68/03/26/371680326.db2.gz ZTTJREDXOGHYCY-JKSUJKDBSA-N 2 1 282.403 2.353 20 0 CEADMP Clc1cccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261591915 371666593 /nfs/dbraw/zinc/66/65/93/371666593.db2.gz MEGPLLWIGORGHE-STQMWFEESA-N 2 1 280.799 2.260 20 0 CEADMP Clc1cccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261591915 371666601 /nfs/dbraw/zinc/66/66/01/371666601.db2.gz MEGPLLWIGORGHE-STQMWFEESA-N 2 1 280.799 2.260 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@](C)(CC)c1ccc(F)cc1 ZINC000639930197 371680331 /nfs/dbraw/zinc/68/03/31/371680331.db2.gz ZTTJREDXOGHYCY-JKSUJKDBSA-N 2 1 282.403 2.353 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(CC)c1ccc(F)cc1 ZINC000639930197 371680335 /nfs/dbraw/zinc/68/03/35/371680335.db2.gz ZTTJREDXOGHYCY-JKSUJKDBSA-N 2 1 282.403 2.353 20 0 CEADMP C[C@@H](N[C@@H](C)[C@H](C)[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261551074 371643227 /nfs/dbraw/zinc/64/32/27/371643227.db2.gz QAOHFOWIGPWLPM-LJIGWXMPSA-N 2 1 275.440 2.222 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261712971 371708872 /nfs/dbraw/zinc/70/88/72/371708872.db2.gz PGQMTLBSTXNQNV-GJZGRUSLSA-N 2 1 290.407 2.005 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261712971 371708876 /nfs/dbraw/zinc/70/88/76/371708876.db2.gz PGQMTLBSTXNQNV-GJZGRUSLSA-N 2 1 290.407 2.005 20 0 CEADMP CCN(C)C(=O)CC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639985596 371714551 /nfs/dbraw/zinc/71/45/51/371714551.db2.gz BJLRHZPPAACIHO-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000261753913 371720223 /nfs/dbraw/zinc/72/02/23/371720223.db2.gz LHFSKBDMZMQHBS-MRXNPFEDSA-N 2 1 288.370 2.387 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000261809513 371740329 /nfs/dbraw/zinc/74/03/29/371740329.db2.gz HPLFGXSUZZWMDW-OAHLLOKOSA-N 2 1 284.407 2.433 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000261809313 371737527 /nfs/dbraw/zinc/73/75/27/371737527.db2.gz HNVHAVQETUKVNN-HNNXBMFYSA-N 2 1 290.455 2.487 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000640018444 371738182 /nfs/dbraw/zinc/73/81/82/371738182.db2.gz WJBYWLYBSLLRBE-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP COCCC[C@@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361175165 371699147 /nfs/dbraw/zinc/69/91/47/371699147.db2.gz LROFVHFUBCCVOB-OAHLLOKOSA-N 2 1 284.444 2.036 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261823111 371743663 /nfs/dbraw/zinc/74/36/63/371743663.db2.gz UEMQIHVMLMASKQ-JKSUJKDBSA-N 2 1 274.408 2.224 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261823102 371743880 /nfs/dbraw/zinc/74/38/80/371743880.db2.gz UEMQIHVMLMASKQ-CVEARBPZSA-N 2 1 274.408 2.224 20 0 CEADMP C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261930564 371775546 /nfs/dbraw/zinc/77/55/46/371775546.db2.gz LMMPYUFIUUZWSJ-CZUORRHYSA-N 2 1 259.397 2.464 20 0 CEADMP CC1=CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000337323276 214005737 /nfs/dbraw/zinc/00/57/37/214005737.db2.gz SFPVREULZYTQNK-UHFFFAOYSA-N 2 1 265.445 2.055 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000262159414 371832760 /nfs/dbraw/zinc/83/27/60/371832760.db2.gz UNGIHNKWYZPDSY-VBQJREDUSA-N 2 1 297.487 2.377 20 0 CEADMP CCOC(=O)C1CCC([N@@H+](CC)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262020810 371801419 /nfs/dbraw/zinc/80/14/19/371801419.db2.gz NFDWBAXBKTVXDQ-VMBOVVBDSA-N 2 1 296.455 2.430 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000640099666 371812617 /nfs/dbraw/zinc/81/26/17/371812617.db2.gz IJCPKULRWKZETN-XHSDSOJGSA-N 2 1 277.412 2.207 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000640099666 371812625 /nfs/dbraw/zinc/81/26/25/371812625.db2.gz IJCPKULRWKZETN-XHSDSOJGSA-N 2 1 277.412 2.207 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000262051573 371814092 /nfs/dbraw/zinc/81/40/92/371814092.db2.gz ZOYYGUGHCRJIKW-UHFFFAOYSA-N 2 1 284.407 2.304 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)C[C@@H]21 ZINC000262095465 371823903 /nfs/dbraw/zinc/82/39/03/371823903.db2.gz IHFUUEICQIYZRH-RYQLBKOJSA-N 2 1 296.418 2.432 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000262105700 371825597 /nfs/dbraw/zinc/82/55/97/371825597.db2.gz FJRJWHRCULQDIX-GOEBONIOSA-N 2 1 283.460 2.132 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+](C)C[C@H]1C ZINC000361398921 371828646 /nfs/dbraw/zinc/82/86/46/371828646.db2.gz XESWFYPHWDYBPT-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000361398921 371828653 /nfs/dbraw/zinc/82/86/53/371828653.db2.gz XESWFYPHWDYBPT-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000361398921 371828661 /nfs/dbraw/zinc/82/86/61/371828661.db2.gz XESWFYPHWDYBPT-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)C3C[NH2+]C3)c2C1 ZINC000262365698 371856110 /nfs/dbraw/zinc/85/61/10/371856110.db2.gz LBCVYVKXEMVOMG-LBPRGKRZSA-N 2 1 287.407 2.206 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)C3C[NH2+]C3)c2C1 ZINC000262365698 371856112 /nfs/dbraw/zinc/85/61/12/371856112.db2.gz LBCVYVKXEMVOMG-LBPRGKRZSA-N 2 1 287.407 2.206 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCN(c2cccc(F)c2)CC1 ZINC000640136691 371837096 /nfs/dbraw/zinc/83/70/96/371837096.db2.gz YKFFSQRABJIRDC-MRXNPFEDSA-N 2 1 291.414 2.432 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000361528012 371898962 /nfs/dbraw/zinc/89/89/62/371898962.db2.gz UMGDAPWPNZXRSD-ZNMIVQPWSA-N 2 1 269.477 2.283 20 0 CEADMP CCN1C[C@H](C)[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000361528012 371898970 /nfs/dbraw/zinc/89/89/70/371898970.db2.gz UMGDAPWPNZXRSD-ZNMIVQPWSA-N 2 1 269.477 2.283 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CCNC(=O)CC1 ZINC000640533412 372024140 /nfs/dbraw/zinc/02/41/40/372024140.db2.gz ICYJKEXHPFNWAE-INIZCTEOSA-N 2 1 295.471 2.101 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000361955504 372143937 /nfs/dbraw/zinc/14/39/37/372143937.db2.gz QRGGHZKEMIXYGR-INIZCTEOSA-N 2 1 287.411 2.333 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000361955504 372143942 /nfs/dbraw/zinc/14/39/42/372143942.db2.gz QRGGHZKEMIXYGR-INIZCTEOSA-N 2 1 287.411 2.333 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000361955504 372143949 /nfs/dbraw/zinc/14/39/49/372143949.db2.gz QRGGHZKEMIXYGR-INIZCTEOSA-N 2 1 287.411 2.333 20 0 CEADMP CO[C@@H](C)[C@@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000268761709 372211374 /nfs/dbraw/zinc/21/13/74/372211374.db2.gz OIWWKFGCTHNRIF-CABCVRRESA-N 2 1 276.424 2.448 20 0 CEADMP CO[C@@H](C)[C@@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000268761709 372211378 /nfs/dbraw/zinc/21/13/78/372211378.db2.gz OIWWKFGCTHNRIF-CABCVRRESA-N 2 1 276.424 2.448 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)c1ccccc1F ZINC000268789991 372223998 /nfs/dbraw/zinc/22/39/98/372223998.db2.gz LSCLBOIMLSDFDE-CZPYZCIJSA-N 2 1 280.387 2.177 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C)CO)cc1 ZINC000268836377 372247919 /nfs/dbraw/zinc/24/79/19/372247919.db2.gz LWZGVHRKEATFMZ-QWHCGFSZSA-N 2 1 273.380 2.460 20 0 CEADMP C[C@H](O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268916402 372285718 /nfs/dbraw/zinc/28/57/18/372285718.db2.gz VBBSBODXCNYQFY-VYDXJSESSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268916402 372285723 /nfs/dbraw/zinc/28/57/23/372285723.db2.gz VBBSBODXCNYQFY-VYDXJSESSA-N 2 1 276.424 2.400 20 0 CEADMP C[NH2+]C(C)(C)c1cn(Cc2c(C)cc(C)[nH+]c2C)nn1 ZINC000641187454 372379447 /nfs/dbraw/zinc/37/94/47/372379447.db2.gz KYTRFQDVAPPJCI-UHFFFAOYSA-N 2 1 273.384 2.101 20 0 CEADMP CN(C)c1cc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc[nH+]1 ZINC000269276475 372403140 /nfs/dbraw/zinc/40/31/40/372403140.db2.gz XILNZFWQYBYLMJ-YHWZYXNKSA-N 2 1 288.395 2.007 20 0 CEADMP CC(C)OCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000363499357 372640351 /nfs/dbraw/zinc/64/03/51/372640351.db2.gz NVRIQYBMCPRYLX-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000641717400 372653842 /nfs/dbraw/zinc/65/38/42/372653842.db2.gz JJILUJRNLLMOPC-OAGGEKHMSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]([NH2+]Cc1ccncc1N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000641747565 372681163 /nfs/dbraw/zinc/68/11/63/372681163.db2.gz LGUJASZUXHFCDL-UKRRQHHQSA-N 2 1 288.439 2.406 20 0 CEADMP C[C@@H]([NH2+]Cc1ccncc1N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000641747565 372681166 /nfs/dbraw/zinc/68/11/66/372681166.db2.gz LGUJASZUXHFCDL-UKRRQHHQSA-N 2 1 288.439 2.406 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C/C=C/c1ccccc1 ZINC000641771418 372713266 /nfs/dbraw/zinc/71/32/66/372713266.db2.gz HUEQNECPYXPHRV-YRYLYKBFSA-N 2 1 276.424 2.382 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000641799354 372740303 /nfs/dbraw/zinc/74/03/03/372740303.db2.gz VJIYKYQGPAGBSS-BFHYXJOUSA-N 2 1 277.412 2.495 20 0 CEADMP CC[NH+](CC)[C@H]1CCN(Cc2cc(OC)cc(C)[nH+]2)C1 ZINC000270323017 372741181 /nfs/dbraw/zinc/74/11/81/372741181.db2.gz RKCYNKXKCDZAKD-HNNXBMFYSA-N 2 1 277.412 2.315 20 0 CEADMP C([NH2+][C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1CCC2(CCCC2)O1 ZINC000641801423 372743389 /nfs/dbraw/zinc/74/33/89/372743389.db2.gz QRNHAHMHOIMINI-YCPHGPKFSA-N 2 1 264.413 2.210 20 0 CEADMP C([NH2+][C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1CCC2(CCCC2)O1 ZINC000641801422 372744423 /nfs/dbraw/zinc/74/44/23/372744423.db2.gz QRNHAHMHOIMINI-FMKPAKJESA-N 2 1 264.413 2.210 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(F)c(F)c1 ZINC000641803124 372747904 /nfs/dbraw/zinc/74/79/04/372747904.db2.gz FGKKSPDXVRNRPG-AQUOVQTQSA-N 2 1 297.349 2.007 20 0 CEADMP CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+]1CCCCC1 ZINC000364592177 372762940 /nfs/dbraw/zinc/76/29/40/372762940.db2.gz QSQSNYUCPDDXOB-XYPWUTKMSA-N 2 1 266.429 2.240 20 0 CEADMP C([C@H]1CCOC1)N1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000364626464 372775868 /nfs/dbraw/zinc/77/58/68/372775868.db2.gz XAYDATYRXPLTCB-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(CC[C@H]2CCCC[NH+]2C)C1 ZINC000351229193 284353838 /nfs/dbraw/zinc/35/38/38/284353838.db2.gz QVHAGIKKRHDBFS-HZPDHXFCSA-N 2 1 267.461 2.134 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351229193 284353839 /nfs/dbraw/zinc/35/38/39/284353839.db2.gz QVHAGIKKRHDBFS-HZPDHXFCSA-N 2 1 267.461 2.134 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351229193 284353840 /nfs/dbraw/zinc/35/38/40/284353840.db2.gz QVHAGIKKRHDBFS-HZPDHXFCSA-N 2 1 267.461 2.134 20 0 CEADMP CC[C@H](C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)OC ZINC000642684814 372860150 /nfs/dbraw/zinc/86/01/50/372860150.db2.gz VQGKINZJBGZDKO-OAHLLOKOSA-N 2 1 256.434 2.464 20 0 CEADMP c1cc2[nH+]ccc(N3CC[C@@H]4CC[NH2+][C@H]4C3)c2s1 ZINC000643031369 372923838 /nfs/dbraw/zinc/92/38/38/372923838.db2.gz NYKPCKUPZQSVMK-JQWIXIFHSA-N 2 1 259.378 2.485 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCCCC2)[C@H]2CCC[C@H]21 ZINC000353496094 220118633 /nfs/dbraw/zinc/11/86/33/220118633.db2.gz KLKJVDZORBVLIU-TWMKSMIVSA-N 2 1 280.456 2.390 20 0 CEADMP c1cc2c(nc[nH+]c2N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000643044191 372933560 /nfs/dbraw/zinc/93/35/60/372933560.db2.gz OTYNUDOEHQQERT-OLZOCXBDSA-N 2 1 285.395 2.174 20 0 CEADMP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)C[C@@H]1CCOC1 ZINC000643056770 372937037 /nfs/dbraw/zinc/93/70/37/372937037.db2.gz BEQYOACDDHCMPQ-HOCLYGCPSA-N 2 1 292.423 2.096 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353517345 220132415 /nfs/dbraw/zinc/13/24/15/220132415.db2.gz KIXNJNVAOWUITL-OWSLCNJRSA-N 2 1 288.435 2.225 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1ccccc1F ZINC000270975585 373043415 /nfs/dbraw/zinc/04/34/15/373043415.db2.gz DVKILPCOTZBPGN-MRXNPFEDSA-N 2 1 291.370 2.386 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1ccccc1F ZINC000270975585 373043423 /nfs/dbraw/zinc/04/34/23/373043423.db2.gz DVKILPCOTZBPGN-MRXNPFEDSA-N 2 1 291.370 2.386 20 0 CEADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000366732399 373115538 /nfs/dbraw/zinc/11/55/38/373115538.db2.gz WUTFLIIJQPZURL-STQMWFEESA-N 2 1 293.411 2.155 20 0 CEADMP CCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000344849672 217331802 /nfs/dbraw/zinc/33/18/02/217331802.db2.gz DXYGUCFICGEZAU-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C12CCCC2 ZINC000643502092 373161685 /nfs/dbraw/zinc/16/16/85/373161685.db2.gz XLOVWPLDWCLSPL-RBSFLKMASA-N 2 1 266.429 2.456 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C12CCCC2 ZINC000643502093 373162092 /nfs/dbraw/zinc/16/20/92/373162092.db2.gz XLOVWPLDWCLSPL-RRFJBIMHSA-N 2 1 266.429 2.456 20 0 CEADMP C([NH2+][C@@H]1CCCC12CCOCC2)[C@H]1CCCC[NH2+]1 ZINC000643502829 373162505 /nfs/dbraw/zinc/16/25/05/373162505.db2.gz SPPYRNYSUFOWJY-ZIAGYGMSSA-N 2 1 252.402 2.067 20 0 CEADMP C[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367602710 373165249 /nfs/dbraw/zinc/16/52/49/373165249.db2.gz VSKHGJLZLSJPII-BBWFWOEESA-N 3 1 279.472 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)[C@@H]2CCC[C@@H]21 ZINC000367602710 373165251 /nfs/dbraw/zinc/16/52/51/373165251.db2.gz VSKHGJLZLSJPII-BBWFWOEESA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+]1CCC(CC[NH2+][C@@H]2CCCc3[nH]ncc32)CC1 ZINC000367601660 373165872 /nfs/dbraw/zinc/16/58/72/373165872.db2.gz OUABHAGAIIURIQ-CQSZACIVSA-N 2 1 262.401 2.109 20 0 CEADMP COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1c[nH+]ccc1N)C2 ZINC000643451932 373122163 /nfs/dbraw/zinc/12/21/63/373122163.db2.gz APGVBWNPYSFITK-YPMHNXCESA-N 2 1 299.374 2.157 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457554 373126779 /nfs/dbraw/zinc/12/67/79/373126779.db2.gz MFBFCQHIWZJYBR-KZNAEPCWSA-N 2 1 287.451 2.368 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000353563982 220159681 /nfs/dbraw/zinc/15/96/81/220159681.db2.gz GVIALNIUPNVSRZ-CQSZACIVSA-N 2 1 297.487 2.342 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000353563982 220159682 /nfs/dbraw/zinc/15/96/82/220159682.db2.gz GVIALNIUPNVSRZ-CQSZACIVSA-N 2 1 297.487 2.342 20 0 CEADMP C1C[C@@H]([C@H]2CCCC[NH2+]2)[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000643523089 373178128 /nfs/dbraw/zinc/17/81/28/373178128.db2.gz WRAQPZMQZGMSRF-JONQDZQNSA-N 2 1 265.445 2.029 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000643528696 373184517 /nfs/dbraw/zinc/18/45/17/373184517.db2.gz NDCOFFSLKTULMU-UFBFGSQYSA-N 2 1 269.186 2.373 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000643527705 373185824 /nfs/dbraw/zinc/18/58/24/373185824.db2.gz RGFZGWRZKNMODB-ZOWXZIJZSA-N 2 1 266.360 2.230 20 0 CEADMP CC(C)[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000643529332 373187690 /nfs/dbraw/zinc/18/76/90/373187690.db2.gz YTEYEGFRKXUJGJ-RNCFNFMXSA-N 2 1 263.341 2.167 20 0 CEADMP COC[C@]1(C[NH2+][C@H](C)Cc2cccs2)CCC[NH2+]1 ZINC000643531764 373189982 /nfs/dbraw/zinc/18/99/82/373189982.db2.gz GWKONBRZDJOUQM-TZMCWYRMSA-N 2 1 268.426 2.037 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546742 373203836 /nfs/dbraw/zinc/20/38/36/373203836.db2.gz UHQFIPKLIYJLIS-DGCLKSJQSA-N 2 1 262.401 2.054 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000271908728 373208821 /nfs/dbraw/zinc/20/88/21/373208821.db2.gz RPYXMQWBNLWKSP-CQSZACIVSA-N 2 1 293.436 2.346 20 0 CEADMP CN(C)c1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000271963677 373236297 /nfs/dbraw/zinc/23/62/97/373236297.db2.gz VRMKDXGNHBUWOQ-UHFFFAOYSA-N 2 1 273.424 2.469 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353595369 220181108 /nfs/dbraw/zinc/18/11/08/220181108.db2.gz JSYVDDJEZFEFBX-JMSVASOKSA-N 2 1 272.396 2.381 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353595369 220181109 /nfs/dbraw/zinc/18/11/09/220181109.db2.gz JSYVDDJEZFEFBX-JMSVASOKSA-N 2 1 272.396 2.381 20 0 CEADMP CCOc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)nc1 ZINC000643973751 373316150 /nfs/dbraw/zinc/31/61/50/373316150.db2.gz CSTDVBWSKXPMFG-CQSZACIVSA-N 2 1 289.423 2.444 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000369130267 373339450 /nfs/dbraw/zinc/33/94/50/373339450.db2.gz MGRPNPIIFOXQFL-OAHLLOKOSA-N 2 1 265.401 2.209 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@](C)(O)CC1 ZINC000369130267 373339458 /nfs/dbraw/zinc/33/94/58/373339458.db2.gz MGRPNPIIFOXQFL-OAHLLOKOSA-N 2 1 265.401 2.209 20 0 CEADMP C[C@H]1OCC[C@]12C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](C)O2 ZINC000369406985 373409890 /nfs/dbraw/zinc/40/98/90/373409890.db2.gz DPKWLEVWOGAOJX-NCOADZHNSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@H]1OCC[C@]12C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](C)O2 ZINC000369406985 373409897 /nfs/dbraw/zinc/40/98/97/373409897.db2.gz DPKWLEVWOGAOJX-NCOADZHNSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@H]1OCC[C@]12C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](C)O2 ZINC000369406985 373409905 /nfs/dbraw/zinc/40/99/05/373409905.db2.gz DPKWLEVWOGAOJX-NCOADZHNSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@H]1OCC[C@]12C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](C)O2 ZINC000369406985 373409912 /nfs/dbraw/zinc/40/99/12/373409912.db2.gz DPKWLEVWOGAOJX-NCOADZHNSA-N 2 1 296.455 2.129 20 0 CEADMP CC(C)SCC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000369505720 373438134 /nfs/dbraw/zinc/43/81/34/373438134.db2.gz ZWLXKTPXYUHPMC-INIZCTEOSA-N 2 1 299.528 2.230 20 0 CEADMP CC(C)SCC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000369505720 373438144 /nfs/dbraw/zinc/43/81/44/373438144.db2.gz ZWLXKTPXYUHPMC-INIZCTEOSA-N 2 1 299.528 2.230 20 0 CEADMP CC(C)COCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000369518250 373442576 /nfs/dbraw/zinc/44/25/76/373442576.db2.gz OFIWFHIJAJJVLN-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CC(C)COCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000369518250 373442586 /nfs/dbraw/zinc/44/25/86/373442586.db2.gz OFIWFHIJAJJVLN-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CC1(C)C ZINC000644565847 373536227 /nfs/dbraw/zinc/53/62/27/373536227.db2.gz HOGYKQFPUZNQAX-HZPDHXFCSA-N 2 1 276.424 2.115 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CC1(C)C ZINC000644565847 373536234 /nfs/dbraw/zinc/53/62/34/373536234.db2.gz HOGYKQFPUZNQAX-HZPDHXFCSA-N 2 1 276.424 2.115 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CC1(C)C ZINC000644565848 373536328 /nfs/dbraw/zinc/53/63/28/373536328.db2.gz HOGYKQFPUZNQAX-JKSUJKDBSA-N 2 1 276.424 2.115 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CC1(C)C ZINC000644565848 373536336 /nfs/dbraw/zinc/53/63/36/373536336.db2.gz HOGYKQFPUZNQAX-JKSUJKDBSA-N 2 1 276.424 2.115 20 0 CEADMP COC(=O)[C@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000370160460 373593782 /nfs/dbraw/zinc/59/37/82/373593782.db2.gz GWTGVAOFJJABIG-CVEARBPZSA-N 2 1 296.455 2.384 20 0 CEADMP C[C@@H](CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)CC(C)(C)C ZINC000644629539 373572262 /nfs/dbraw/zinc/57/22/62/373572262.db2.gz ILHVNWVKAIEANJ-DZGCQCFKSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@@H](CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)CC(C)(C)C ZINC000644629539 373572268 /nfs/dbraw/zinc/57/22/68/373572268.db2.gz ILHVNWVKAIEANJ-DZGCQCFKSA-N 2 1 270.461 2.494 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(C(F)F)CC1 ZINC000644635852 373575140 /nfs/dbraw/zinc/57/51/40/373575140.db2.gz DDGDOLUMSVWBBU-CQSZACIVSA-N 2 1 298.377 2.114 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(C(F)F)CC1 ZINC000644635852 373575151 /nfs/dbraw/zinc/57/51/51/373575151.db2.gz DDGDOLUMSVWBBU-CQSZACIVSA-N 2 1 298.377 2.114 20 0 CEADMP FC(F)C1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000683927059 541889555 /nfs/dbraw/zinc/88/95/55/541889555.db2.gz KOABJNCXBBBHTR-CYBMUJFWSA-N 2 1 288.382 2.265 20 0 CEADMP CC(C)[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644669325 373597850 /nfs/dbraw/zinc/59/78/50/373597850.db2.gz YSTBCKGWHMTLRR-IXDOHACOSA-N 2 1 276.424 2.113 20 0 CEADMP CC(C)[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644669325 373597853 /nfs/dbraw/zinc/59/78/53/373597853.db2.gz YSTBCKGWHMTLRR-IXDOHACOSA-N 2 1 276.424 2.113 20 0 CEADMP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000370670508 373711243 /nfs/dbraw/zinc/71/12/43/373711243.db2.gz CSEJXNIRYZCAEC-AEGPPILISA-N 2 1 274.412 2.371 20 0 CEADMP Cc1ncc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000370670508 373711254 /nfs/dbraw/zinc/71/12/54/373711254.db2.gz CSEJXNIRYZCAEC-AEGPPILISA-N 2 1 274.412 2.371 20 0 CEADMP CC(C)Cn1cc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC000370642274 373704794 /nfs/dbraw/zinc/70/47/94/373704794.db2.gz LOKMGYFDKWGNSR-CQSZACIVSA-N 2 1 287.411 2.088 20 0 CEADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1C ZINC000289548539 197397858 /nfs/dbraw/zinc/39/78/58/197397858.db2.gz OQXCECHMKQKPCO-GDBMZVCRSA-N 2 1 276.424 2.409 20 0 CEADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1C ZINC000289548539 197397860 /nfs/dbraw/zinc/39/78/60/197397860.db2.gz OQXCECHMKQKPCO-GDBMZVCRSA-N 2 1 276.424 2.409 20 0 CEADMP c1ccc2c(NC[C@H]3C[N@H+]4CCCC[C@@H]4CO3)cc[nH+]c2c1 ZINC000371283645 373831111 /nfs/dbraw/zinc/83/11/11/373831111.db2.gz LDLKPDVBWVANKB-CABCVRRESA-N 2 1 297.402 2.322 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCc1ccccc1 ZINC000371300364 373834440 /nfs/dbraw/zinc/83/44/40/373834440.db2.gz ORCRHZRRBJRRDG-KURKYZTESA-N 2 1 288.435 2.413 20 0 CEADMP Cc1[nH]c2nc[nH+]c(NC[C@H](C)C[NH+](C)C)c2c1C ZINC000645246915 373944656 /nfs/dbraw/zinc/94/46/56/373944656.db2.gz MNVWTNBKJSDHCD-VIFPVBQESA-N 2 1 261.373 2.184 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000372256102 374078482 /nfs/dbraw/zinc/07/84/82/374078482.db2.gz QCWFTGZPIIDSOR-UHFFFAOYSA-N 2 1 273.384 2.184 20 0 CEADMP C[C@@H]([NH2+]Cc1ncn(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000645504468 374084599 /nfs/dbraw/zinc/08/45/99/374084599.db2.gz PLKBRPUBAUVHDC-CQSZACIVSA-N 2 1 299.422 2.087 20 0 CEADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC2=CCCC2)CC1 ZINC000645800651 374193474 /nfs/dbraw/zinc/19/34/74/374193474.db2.gz CYRVIZDGMIBFGD-KRWDZBQOSA-N 2 1 277.456 2.199 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645811349 374198991 /nfs/dbraw/zinc/19/89/91/374198991.db2.gz NAGWNTLMQSBXKI-IAGOWNOFSA-N 2 1 298.471 2.236 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000372957769 374230383 /nfs/dbraw/zinc/23/03/83/374230383.db2.gz RSZSLADRSROSQY-WZYMTQMTSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000372957769 374230385 /nfs/dbraw/zinc/23/03/85/374230385.db2.gz RSZSLADRSROSQY-WZYMTQMTSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000372957769 374230390 /nfs/dbraw/zinc/23/03/90/374230390.db2.gz RSZSLADRSROSQY-WZYMTQMTSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc([S@](C)=O)cc1 ZINC000276627427 374240987 /nfs/dbraw/zinc/24/09/87/374240987.db2.gz IVEJVIRRRBFYFV-ODXCJYRJSA-N 2 1 291.420 2.051 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000373172458 374281869 /nfs/dbraw/zinc/28/18/69/374281869.db2.gz CXOJMXKUZGYEOU-AWEZNQCLSA-N 2 1 299.422 2.245 20 0 CEADMP COC(=O)[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC12CCC2 ZINC000373178140 374284983 /nfs/dbraw/zinc/28/49/83/374284983.db2.gz GKURFJZFMLCUMG-HNNXBMFYSA-N 2 1 294.439 2.138 20 0 CEADMP CCCC[C@H](COC)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000373555109 374378448 /nfs/dbraw/zinc/37/84/48/374378448.db2.gz OMVQWPZVEKANNZ-ZIAGYGMSSA-N 2 1 265.401 2.240 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000277114503 374407789 /nfs/dbraw/zinc/40/77/89/374407789.db2.gz HIQOZLLKTAMNMO-HOTGVXAUSA-N 2 1 280.387 2.275 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000277114503 374407795 /nfs/dbraw/zinc/40/77/95/374407795.db2.gz HIQOZLLKTAMNMO-HOTGVXAUSA-N 2 1 280.387 2.275 20 0 CEADMP Oc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250235894 189966113 /nfs/dbraw/zinc/96/61/13/189966113.db2.gz DOPDTAFOXIATRT-CABCVRRESA-N 2 1 260.381 2.151 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCC(C)(C)O)CC2)C1CC1 ZINC000374318383 374540100 /nfs/dbraw/zinc/54/01/00/374540100.db2.gz QQHPSBNCLZPUJD-AWEZNQCLSA-N 2 1 280.456 2.344 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000374324874 374541001 /nfs/dbraw/zinc/54/10/01/374541001.db2.gz AWBHZYNWSUZXGG-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP C[N@@H+](Cc1ccsc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377620502 374901945 /nfs/dbraw/zinc/90/19/45/374901945.db2.gz DTNVHDKYZOCYBX-INIZCTEOSA-N 2 1 293.480 2.348 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccsc1 ZINC000378371273 375084203 /nfs/dbraw/zinc/08/42/03/375084203.db2.gz OHYMOLGFZRHPTI-KFWWJZLASA-N 2 1 280.437 2.432 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccsc1 ZINC000378371273 375084207 /nfs/dbraw/zinc/08/42/07/375084207.db2.gz OHYMOLGFZRHPTI-KFWWJZLASA-N 2 1 280.437 2.432 20 0 CEADMP C[NH+](C)C/C=C/C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000280319636 375168792 /nfs/dbraw/zinc/16/87/92/375168792.db2.gz UTKFVDRDEQZTMR-AATRIKPKSA-N 2 1 295.814 2.458 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000378517814 375121315 /nfs/dbraw/zinc/12/13/15/375121315.db2.gz KAQOOJDUXJJAAP-DLBZAZTESA-N 2 1 292.398 2.203 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000378517814 375121322 /nfs/dbraw/zinc/12/13/22/375121322.db2.gz KAQOOJDUXJJAAP-DLBZAZTESA-N 2 1 292.398 2.203 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000378517814 375121323 /nfs/dbraw/zinc/12/13/23/375121323.db2.gz KAQOOJDUXJJAAP-DLBZAZTESA-N 2 1 292.398 2.203 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000378517814 375121328 /nfs/dbraw/zinc/12/13/28/375121328.db2.gz KAQOOJDUXJJAAP-DLBZAZTESA-N 2 1 292.398 2.203 20 0 CEADMP CC[C@@H](C)[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000387362809 375276401 /nfs/dbraw/zinc/27/64/01/375276401.db2.gz KNFUNDNOVYPTQH-MRXNPFEDSA-N 2 1 275.440 2.192 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000389866494 375307496 /nfs/dbraw/zinc/30/74/96/375307496.db2.gz LXOUIFKLKIEYEG-NXHRZFHOSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000389866494 375307501 /nfs/dbraw/zinc/30/75/01/375307501.db2.gz LXOUIFKLKIEYEG-NXHRZFHOSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000389870991 375308675 /nfs/dbraw/zinc/30/86/75/375308675.db2.gz PWRKLCZAQPVXMH-LMSBXDPUSA-N 2 1 287.451 2.095 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000389870991 375308681 /nfs/dbraw/zinc/30/86/81/375308681.db2.gz PWRKLCZAQPVXMH-LMSBXDPUSA-N 2 1 287.451 2.095 20 0 CEADMP COCc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)o1 ZINC000397442277 375341136 /nfs/dbraw/zinc/34/11/36/375341136.db2.gz GIIROENRNHIUQT-XQQFMLRXSA-N 2 1 266.385 2.231 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414185142 375801164 /nfs/dbraw/zinc/80/11/64/375801164.db2.gz OGWYNHNHVWOGAE-UKRRQHHQSA-N 2 1 276.428 2.119 20 0 CEADMP [NH3+]C1(c2noc(-c3cnn(-c4cc[nH+]cc4)c3)n2)CCCC1 ZINC000414630957 375890587 /nfs/dbraw/zinc/89/05/87/375890587.db2.gz VMSSPJKGYXGSTM-UHFFFAOYSA-N 2 1 296.334 2.045 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C[C@H]12 ZINC000414663576 375907991 /nfs/dbraw/zinc/90/79/91/375907991.db2.gz BKWIQJOJGQRZRG-JSRQGNBESA-N 2 1 256.393 2.459 20 0 CEADMP CCOC(=O)CC(C)(C)[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414763961 375954474 /nfs/dbraw/zinc/95/44/74/375954474.db2.gz YIOYNDSEZKPOKX-STQMWFEESA-N 2 1 270.417 2.038 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](C(C)(C)C)C2)CC[NH2+]1 ZINC000414769456 375958657 /nfs/dbraw/zinc/95/86/57/375958657.db2.gz WOTCAUYKLZCTNT-MCIONIFRSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](C(C)(C)C)C2)CC[NH2+]1 ZINC000414769453 375958666 /nfs/dbraw/zinc/95/86/66/375958666.db2.gz WOTCAUYKLZCTNT-HZSPNIEDSA-N 2 1 254.418 2.121 20 0 CEADMP Cn1cc(C[NH2+]C2CC[NH2+]CC2)c(C2CCCCC2)n1 ZINC000414781275 375965193 /nfs/dbraw/zinc/96/51/93/375965193.db2.gz CALBNVINKQHWMI-UHFFFAOYSA-N 2 1 276.428 2.309 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414789101 375970567 /nfs/dbraw/zinc/97/05/67/375970567.db2.gz DZFMRHAAELHMJH-LBPRGKRZSA-N 2 1 258.312 2.361 20 0 CEADMP CCCOc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OC ZINC000414789474 375971866 /nfs/dbraw/zinc/97/18/66/375971866.db2.gz NZRWCTBCRTXUML-UHFFFAOYSA-N 2 1 278.396 2.326 20 0 CEADMP CCCCCNC(=O)C1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414679903 375915052 /nfs/dbraw/zinc/91/50/52/375915052.db2.gz SLSQNPWLXKUJRC-INIZCTEOSA-N 2 1 297.487 2.378 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414690784 375920043 /nfs/dbraw/zinc/92/00/43/375920043.db2.gz ILSUPVRDFJSQJL-JYJNAYRXSA-N 2 1 297.487 2.377 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414690784 375920047 /nfs/dbraw/zinc/92/00/47/375920047.db2.gz ILSUPVRDFJSQJL-JYJNAYRXSA-N 2 1 297.487 2.377 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414690785 375921242 /nfs/dbraw/zinc/92/12/42/375921242.db2.gz ILSUPVRDFJSQJL-XHSDSOJGSA-N 2 1 297.487 2.377 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414690785 375921247 /nfs/dbraw/zinc/92/12/47/375921247.db2.gz ILSUPVRDFJSQJL-XHSDSOJGSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)CC[NH2+]1 ZINC000414694801 375922859 /nfs/dbraw/zinc/92/28/59/375922859.db2.gz FZFZRRWBKIQWEP-BZUAXINKSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H](C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000414694801 375922867 /nfs/dbraw/zinc/92/28/67/375922867.db2.gz FZFZRRWBKIQWEP-BZUAXINKSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H](C[NH+](C)CC[C@H]2CCCC[N@H+]2C)CC[NH2+]1 ZINC000414694801 375922873 /nfs/dbraw/zinc/92/28/73/375922873.db2.gz FZFZRRWBKIQWEP-BZUAXINKSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+](C)CC[C@H]2CCCCN2C)CC[NH2+]1 ZINC000414694801 375922881 /nfs/dbraw/zinc/92/28/81/375922881.db2.gz FZFZRRWBKIQWEP-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)CC[C@H]2CCCCN2C)CC[NH2+]1 ZINC000414694801 375922888 /nfs/dbraw/zinc/92/28/88/375922888.db2.gz FZFZRRWBKIQWEP-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414697888 375925801 /nfs/dbraw/zinc/92/58/01/375925801.db2.gz COMYRMFPDSVMMP-ARFHVFGLSA-N 2 1 295.471 2.084 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414701206 375929003 /nfs/dbraw/zinc/92/90/03/375929003.db2.gz UHLPHCXVPLDTJP-ZNMIVQPWSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](CCCO)CC(C)(C)C)CC[NH2+]1 ZINC000414704482 375930799 /nfs/dbraw/zinc/93/07/99/375930799.db2.gz WBZONSCVRYYDGF-KGLIPLIRSA-N 2 1 256.434 2.105 20 0 CEADMP CC(C)CO[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414707152 375932965 /nfs/dbraw/zinc/93/29/65/375932965.db2.gz MOJFSELVMMXWJS-SOUVJXGZSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)CC[NH2+]1 ZINC000414715472 375936839 /nfs/dbraw/zinc/93/68/39/375936839.db2.gz WYMOIWFYMWSULT-KLHDSHLOSA-N 2 1 276.428 2.154 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCS1 ZINC000414714077 375937354 /nfs/dbraw/zinc/93/73/54/375937354.db2.gz WZBSENFVSGDMLT-MCIONIFRSA-N 2 1 256.459 2.448 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](CCN(C)C)C2CCCC2)CC[NH2+]1 ZINC000414735771 375942969 /nfs/dbraw/zinc/94/29/69/375942969.db2.gz MOLLXJHIJLBWBA-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP [NH3+]CCC[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000414741780 375948152 /nfs/dbraw/zinc/94/81/52/375948152.db2.gz FRQDRBDGPXVFGW-AWEZNQCLSA-N 2 1 266.360 2.156 20 0 CEADMP COCC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@@H]1CCCSC1 ZINC000414758110 375951246 /nfs/dbraw/zinc/95/12/46/375951246.db2.gz BXPNCLJSIZUMRX-UONOGXRCSA-N 2 1 274.474 2.204 20 0 CEADMP COCC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@@H]1CCCSC1 ZINC000414758110 375951252 /nfs/dbraw/zinc/95/12/52/375951252.db2.gz BXPNCLJSIZUMRX-UONOGXRCSA-N 2 1 274.474 2.204 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000414808183 375994153 /nfs/dbraw/zinc/99/41/53/375994153.db2.gz DPLKJJUCZQRYMB-CQSZACIVSA-N 2 1 264.369 2.080 20 0 CEADMP C[C@H]([NH2+]Cc1cc(O)cc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000414820524 376006151 /nfs/dbraw/zinc/00/61/51/376006151.db2.gz JWSLXKSPSMVWOQ-JQWIXIFHSA-N 2 1 252.333 2.009 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414802231 375987458 /nfs/dbraw/zinc/98/74/58/375987458.db2.gz VFIUTNQPUFMNKU-IRXDYDNUSA-N 2 1 292.423 2.317 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3Cc4ccccc43)C2)CC1 ZINC000287195825 376170300 /nfs/dbraw/zinc/17/03/00/376170300.db2.gz HZQDNQGVOCROFH-ZWKOTPCHSA-N 2 1 299.462 2.038 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287801998 376318670 /nfs/dbraw/zinc/31/86/70/376318670.db2.gz ONWCQQJTXAMYMS-QGZVFWFLSA-N 2 1 291.439 2.404 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287801998 376318675 /nfs/dbraw/zinc/31/86/75/376318675.db2.gz ONWCQQJTXAMYMS-QGZVFWFLSA-N 2 1 291.439 2.404 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc4occc4c3)C[C@@H]2C1 ZINC000289707570 376455358 /nfs/dbraw/zinc/45/53/58/376455358.db2.gz NVKXCGBKINMXQV-GASCZTMLSA-N 2 1 256.349 2.426 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4occc4c3)C[C@@H]2C1 ZINC000289707570 376455373 /nfs/dbraw/zinc/45/53/73/376455373.db2.gz NVKXCGBKINMXQV-GASCZTMLSA-N 2 1 256.349 2.426 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4occc4c3)C[C@@H]2C1 ZINC000289707570 376455384 /nfs/dbraw/zinc/45/53/84/376455384.db2.gz NVKXCGBKINMXQV-GASCZTMLSA-N 2 1 256.349 2.426 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc4occc4c3)C[C@@H]2C1 ZINC000289707570 376455397 /nfs/dbraw/zinc/45/53/97/376455397.db2.gz NVKXCGBKINMXQV-GASCZTMLSA-N 2 1 256.349 2.426 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000289741187 376475298 /nfs/dbraw/zinc/47/52/98/376475298.db2.gz IEMLVRNUDALWNP-AEFFLSMTSA-N 2 1 288.435 2.006 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000289741187 376475309 /nfs/dbraw/zinc/47/53/09/376475309.db2.gz IEMLVRNUDALWNP-AEFFLSMTSA-N 2 1 288.435 2.006 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000289741187 376475320 /nfs/dbraw/zinc/47/53/20/376475320.db2.gz IEMLVRNUDALWNP-AEFFLSMTSA-N 2 1 288.435 2.006 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000289741187 376475327 /nfs/dbraw/zinc/47/53/27/376475327.db2.gz IEMLVRNUDALWNP-AEFFLSMTSA-N 2 1 288.435 2.006 20 0 CEADMP C[C@@H]([NH2+]CCc1cn[nH]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289804819 376510124 /nfs/dbraw/zinc/51/01/24/376510124.db2.gz ODLJPKHVFOGBLV-QAPCUYQASA-N 2 1 298.434 2.452 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOC(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000556887574 376514034 /nfs/dbraw/zinc/51/40/34/376514034.db2.gz ZIGPMMFUWRCALI-MELADBBJSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOC(C)(C)C)[C@H]2CCC[C@H]21 ZINC000556887570 376515325 /nfs/dbraw/zinc/51/53/25/376515325.db2.gz ZIGPMMFUWRCALI-HZSPNIEDSA-N 2 1 254.418 2.264 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000307758783 376571602 /nfs/dbraw/zinc/57/16/02/376571602.db2.gz PSCZPZGCYPZVAH-SQNIBIBYSA-N 2 1 286.419 2.229 20 0 CEADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000307758783 376571606 /nfs/dbraw/zinc/57/16/06/376571606.db2.gz PSCZPZGCYPZVAH-SQNIBIBYSA-N 2 1 286.419 2.229 20 0 CEADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000307758783 376571609 /nfs/dbraw/zinc/57/16/09/376571609.db2.gz PSCZPZGCYPZVAH-SQNIBIBYSA-N 2 1 286.419 2.229 20 0 CEADMP C[NH2+]C[C@H]1CCCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000420112417 376572140 /nfs/dbraw/zinc/57/21/40/376572140.db2.gz AYIZKHAZWRQOPG-CYBMUJFWSA-N 2 1 291.443 2.102 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000558009076 376589531 /nfs/dbraw/zinc/58/95/31/376589531.db2.gz CNSTWPQMYPNWPP-ZDUSSCGKSA-N 2 1 294.468 2.043 20 0 CEADMP C(COC1CCCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310797609 376636565 /nfs/dbraw/zinc/63/65/65/376636565.db2.gz WMNLWVVKUOXSFX-UHFFFAOYSA-N 2 1 252.402 2.162 20 0 CEADMP CN(C[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1)C1CC1 ZINC000290129481 376651813 /nfs/dbraw/zinc/65/18/13/376651813.db2.gz ZLPWFGHGJSUBOL-SJORKVTESA-N 2 1 292.398 2.418 20 0 CEADMP CN(C[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(F)c1)C1CC1 ZINC000290129481 376651819 /nfs/dbraw/zinc/65/18/19/376651819.db2.gz ZLPWFGHGJSUBOL-SJORKVTESA-N 2 1 292.398 2.418 20 0 CEADMP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000312039110 376700300 /nfs/dbraw/zinc/70/03/00/376700300.db2.gz QFGWGSBASNHUOZ-KFWWJZLASA-N 2 1 264.413 2.162 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)ncn2C ZINC000290544451 376827065 /nfs/dbraw/zinc/82/70/65/376827065.db2.gz RKSVTOSUMASTFR-CZUORRHYSA-N 2 1 286.423 2.345 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)ncn2C ZINC000290544451 376827071 /nfs/dbraw/zinc/82/70/71/376827071.db2.gz RKSVTOSUMASTFR-CZUORRHYSA-N 2 1 286.423 2.345 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c(c1)ncn2C ZINC000290544451 376827075 /nfs/dbraw/zinc/82/70/75/376827075.db2.gz RKSVTOSUMASTFR-CZUORRHYSA-N 2 1 286.423 2.345 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2c(c1)ncn2C ZINC000290544451 376827078 /nfs/dbraw/zinc/82/70/78/376827078.db2.gz RKSVTOSUMASTFR-CZUORRHYSA-N 2 1 286.423 2.345 20 0 CEADMP CC(C)[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000322393785 376828468 /nfs/dbraw/zinc/82/84/68/376828468.db2.gz RGVQXONGDDMABO-MOTUXRJWSA-N 2 1 266.429 2.405 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422975322 376899002 /nfs/dbraw/zinc/89/90/02/376899002.db2.gz SKXHMQFXTPGODT-XOKHGSTOSA-N 3 1 273.424 2.453 20 0 CEADMP C1=CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000422976912 376900323 /nfs/dbraw/zinc/90/03/23/376900323.db2.gz WADYKFVGKCTYKF-JJXSEGSLSA-N 2 1 264.413 2.089 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(C2CCC2)CC1 ZINC000422976262 376900371 /nfs/dbraw/zinc/90/03/71/376900371.db2.gz UTYORUTTXVGMOX-ZDUSSCGKSA-N 2 1 253.434 2.110 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3c[nH]nc3c2)C1 ZINC000290600935 376848784 /nfs/dbraw/zinc/84/87/84/376848784.db2.gz VWPOQPKEYMGMNC-WBVHZDCISA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3c[nH]nc3c2)C1 ZINC000290600935 376848798 /nfs/dbraw/zinc/84/87/98/376848798.db2.gz VWPOQPKEYMGMNC-WBVHZDCISA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3c[nH]nc3c2)C1 ZINC000290600935 376848811 /nfs/dbraw/zinc/84/88/11/376848811.db2.gz VWPOQPKEYMGMNC-WBVHZDCISA-N 2 1 284.407 2.479 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000290616976 376852568 /nfs/dbraw/zinc/85/25/68/376852568.db2.gz WZLFJCCKMWCQLC-DZGCQCFKSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000290616976 376852573 /nfs/dbraw/zinc/85/25/73/376852573.db2.gz WZLFJCCKMWCQLC-DZGCQCFKSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000290616976 376852579 /nfs/dbraw/zinc/85/25/79/376852579.db2.gz WZLFJCCKMWCQLC-DZGCQCFKSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000290616976 376852580 /nfs/dbraw/zinc/85/25/80/376852580.db2.gz WZLFJCCKMWCQLC-DZGCQCFKSA-N 2 1 290.407 2.317 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)CCO2 ZINC000290635412 376862881 /nfs/dbraw/zinc/86/28/81/376862881.db2.gz YFSDLPKLLCELKD-CJNGLKHVSA-N 2 1 274.408 2.394 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)CCO2 ZINC000290635412 376862889 /nfs/dbraw/zinc/86/28/89/376862889.db2.gz YFSDLPKLLCELKD-CJNGLKHVSA-N 2 1 274.408 2.394 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000290635412 376862893 /nfs/dbraw/zinc/86/28/93/376862893.db2.gz YFSDLPKLLCELKD-CJNGLKHVSA-N 2 1 274.408 2.394 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000290635412 376862896 /nfs/dbraw/zinc/86/28/96/376862896.db2.gz YFSDLPKLLCELKD-CJNGLKHVSA-N 2 1 274.408 2.394 20 0 CEADMP O=C(Nc1ccn2ccnc2c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000290713939 376891868 /nfs/dbraw/zinc/89/18/68/376891868.db2.gz OBPBQJBXVJJVAZ-ZIAGYGMSSA-N 2 1 299.378 2.083 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000422995888 376911831 /nfs/dbraw/zinc/91/18/31/376911831.db2.gz ZSKFVEIRMBFICW-RYUDHWBXSA-N 2 1 250.390 2.214 20 0 CEADMP CC[C@H](NC[C@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000423001394 376918827 /nfs/dbraw/zinc/91/88/27/376918827.db2.gz WWSZWZFXNUEEAW-IKGGRYGDSA-N 2 1 281.488 2.475 20 0 CEADMP C[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccccc1 ZINC000423018409 376933296 /nfs/dbraw/zinc/93/32/96/376933296.db2.gz YVRHIIJUJOLLLD-CIQAELJKSA-N 2 1 285.435 2.304 20 0 CEADMP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccccc1 ZINC000423018409 376933300 /nfs/dbraw/zinc/93/33/00/376933300.db2.gz YVRHIIJUJOLLLD-CIQAELJKSA-N 2 1 285.435 2.304 20 0 CEADMP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C12CCC(CC1)C2 ZINC000423017770 376934543 /nfs/dbraw/zinc/93/45/43/376934543.db2.gz XBTXKGHIMKQNFG-IEKCDTDMSA-N 2 1 278.440 2.313 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000423039813 376943620 /nfs/dbraw/zinc/94/36/20/376943620.db2.gz GALXLOIUJXSUTG-RDJZCZTQSA-N 2 1 289.467 2.266 20 0 CEADMP CC(C)(C[NH2+][C@H]1CCCC[C@H]1C[NH3+])C[NH+]1CCCC1 ZINC000423069912 376962054 /nfs/dbraw/zinc/96/20/54/376962054.db2.gz FKJXYGOOFJTSSP-GJZGRUSLSA-N 3 1 267.461 2.216 20 0 CEADMP CC(C)=CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423073161 376963974 /nfs/dbraw/zinc/96/39/74/376963974.db2.gz QUFSPZYQJBTQFD-ZNMIVQPWSA-N 2 1 252.402 2.089 20 0 CEADMP C[C@@H]1CC(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C[C@@H](C)O1 ZINC000423117848 377013203 /nfs/dbraw/zinc/01/32/03/377013203.db2.gz XORSUEYGFUXGAY-KYEXWDHISA-N 2 1 254.418 2.168 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000423129945 377028120 /nfs/dbraw/zinc/02/81/20/377028120.db2.gz RKRWMTBEZIVCFD-RZGXBDKHSA-N 2 1 252.333 2.363 20 0 CEADMP C1=C(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCC1 ZINC000423143903 377042816 /nfs/dbraw/zinc/04/28/16/377042816.db2.gz FLRVNKQYFDYKGC-ARFHVFGLSA-N 2 1 264.413 2.234 20 0 CEADMP CSC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCC1 ZINC000423091441 376984192 /nfs/dbraw/zinc/98/41/92/376984192.db2.gz XCUXRGHPKLBQQI-MCIONIFRSA-N 2 1 284.469 2.019 20 0 CEADMP C[C@H]([NH2+]CC1(C(F)(F)F)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423101189 376994033 /nfs/dbraw/zinc/99/40/33/376994033.db2.gz CQWJDEZMAXHMRV-UWVGGRQHSA-N 2 1 250.308 2.449 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000423101973 376996221 /nfs/dbraw/zinc/99/62/21/376996221.db2.gz WSESMBPOTJQXOO-HYVNUMGLSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423101678 376996424 /nfs/dbraw/zinc/99/64/24/376996424.db2.gz WGSQIRMOSZJOBT-LYYZXLFJSA-N 2 1 266.429 2.169 20 0 CEADMP C[C@H]([NH2+]C[C@](C)(CO)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423109565 377002021 /nfs/dbraw/zinc/00/20/21/377002021.db2.gz NTJXNNZWEWMULO-BHYGNILZSA-N 2 1 276.424 2.057 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CCC1CC(OC(C)(C)C)C1)C1CC1 ZINC000563002627 377055381 /nfs/dbraw/zinc/05/53/81/377055381.db2.gz INUURTUDUDLZNH-OGVSOVDVSA-N 2 1 298.471 2.015 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CCC1CC(OC(C)(C)C)C1)C1CC1 ZINC000563002627 377055388 /nfs/dbraw/zinc/05/53/88/377055388.db2.gz INUURTUDUDLZNH-OGVSOVDVSA-N 2 1 298.471 2.015 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000423164122 377066518 /nfs/dbraw/zinc/06/65/18/377066518.db2.gz NZPPNGRCSRNGQV-GJZGRUSLSA-N 3 1 253.434 2.110 20 0 CEADMP C[N@H+](CCCC[NH2+][C@H]1CCCCC[C@@H]1N)C1CC1 ZINC000423164122 377066523 /nfs/dbraw/zinc/06/65/23/377066523.db2.gz NZPPNGRCSRNGQV-GJZGRUSLSA-N 2 1 253.434 2.110 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1CCCCC[C@@H]1N)C1CC1 ZINC000423164122 377066529 /nfs/dbraw/zinc/06/65/29/377066529.db2.gz NZPPNGRCSRNGQV-GJZGRUSLSA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423169868 377076815 /nfs/dbraw/zinc/07/68/15/377076815.db2.gz WSMHEJZJQJAXKJ-CRAIPNDOSA-N 3 1 289.467 2.409 20 0 CEADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423169868 377076822 /nfs/dbraw/zinc/07/68/22/377076822.db2.gz WSMHEJZJQJAXKJ-CRAIPNDOSA-N 2 1 289.467 2.409 20 0 CEADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423169868 377076833 /nfs/dbraw/zinc/07/68/33/377076833.db2.gz WSMHEJZJQJAXKJ-CRAIPNDOSA-N 2 1 289.467 2.409 20 0 CEADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423175693 377084849 /nfs/dbraw/zinc/08/48/49/377084849.db2.gz ASXGUNQXLCBCKE-LLVKDONJSA-N 2 1 291.395 2.056 20 0 CEADMP C[C@H]1C[C@H](NCC2([NH3+])CCCCCC2)C[N@H+]1C1CC1 ZINC000423207682 377124484 /nfs/dbraw/zinc/12/44/84/377124484.db2.gz YDFPGMWDOLMBIK-KBPBESRZSA-N 2 1 265.445 2.253 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCCCC2)CN1C1CC1 ZINC000423207682 377124490 /nfs/dbraw/zinc/12/44/90/377124490.db2.gz YDFPGMWDOLMBIK-KBPBESRZSA-N 2 1 265.445 2.253 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)c1cccnc1)[C@@H]1CCCC[NH2+]1 ZINC000423182345 377095259 /nfs/dbraw/zinc/09/52/59/377095259.db2.gz LPJXPDLPIQUBCM-ZFWWWQNUSA-N 2 1 261.413 2.479 20 0 CEADMP C[NH2+]CCC1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000563109052 377097549 /nfs/dbraw/zinc/09/75/49/377097549.db2.gz ZLHJGZNAXHRACZ-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000423193423 377107621 /nfs/dbraw/zinc/10/76/21/377107621.db2.gz QQZUMSGYXUPRDE-ZNMIVQPWSA-N 2 1 282.428 2.230 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C12CCCC2 ZINC000423269305 377189854 /nfs/dbraw/zinc/18/98/54/377189854.db2.gz FHOXKDRROMSYJQ-MGPQQGTHSA-N 2 1 252.402 2.051 20 0 CEADMP C[C@H]([NH3+])CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423222811 377138497 /nfs/dbraw/zinc/13/84/97/377138497.db2.gz CSWOSWQBYABIFK-ZOBUZTSGSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423222811 377138500 /nfs/dbraw/zinc/13/85/00/377138500.db2.gz CSWOSWQBYABIFK-ZOBUZTSGSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423222811 377138503 /nfs/dbraw/zinc/13/85/03/377138503.db2.gz CSWOSWQBYABIFK-ZOBUZTSGSA-N 3 1 275.440 2.224 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC(C2CCCC2)CC1)C1CC1 ZINC000685565440 542158091 /nfs/dbraw/zinc/15/80/91/542158091.db2.gz HFMVGCNTRUJLAK-KRWDZBQOSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC(C2CCCC2)CC1)C1CC1 ZINC000685565440 542158094 /nfs/dbraw/zinc/15/80/94/542158094.db2.gz HFMVGCNTRUJLAK-KRWDZBQOSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH2+]CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423226841 377142701 /nfs/dbraw/zinc/14/27/01/377142701.db2.gz SMZWWMKDLLSVHD-RCCFBDPRSA-N 2 1 287.451 2.096 20 0 CEADMP CC[NH2+]CC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000423247408 377166665 /nfs/dbraw/zinc/16/66/65/377166665.db2.gz PDXHPZILTGOLID-CHWSQXEVSA-N 2 1 250.386 2.386 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000423260215 377179025 /nfs/dbraw/zinc/17/90/25/377179025.db2.gz GYQUYVRVLMIKKD-TZMCWYRMSA-N 2 1 278.396 2.482 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1c(C)cccc1C ZINC000563352248 377180301 /nfs/dbraw/zinc/18/03/01/377180301.db2.gz HHRVSZZXOUIACD-HUUCEWRRSA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1c(C)cccc1C ZINC000563352248 377180312 /nfs/dbraw/zinc/18/03/12/377180312.db2.gz HHRVSZZXOUIACD-HUUCEWRRSA-N 2 1 264.413 2.267 20 0 CEADMP COCCOc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423280853 377208037 /nfs/dbraw/zinc/20/80/37/377208037.db2.gz SXOZAZLVRYMJAV-LRDDRELGSA-N 2 1 278.396 2.100 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000423293609 377222739 /nfs/dbraw/zinc/22/27/39/377222739.db2.gz AHEBMIFWJPSHAR-OCCSQVGLSA-N 2 1 265.401 2.128 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCC[NH2+]C1 ZINC000423335651 377267627 /nfs/dbraw/zinc/26/76/27/377267627.db2.gz JEGGDXKEGPAGPR-TWMKSMIVSA-N 3 1 279.472 2.277 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)[C@@H](C)C1 ZINC000563443455 377227930 /nfs/dbraw/zinc/22/79/30/377227930.db2.gz GOQNVFCUCDQLJG-RCBQFDQVSA-N 2 1 292.398 2.449 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000423300681 377230457 /nfs/dbraw/zinc/23/04/57/377230457.db2.gz DWAMMLKMMJBVMI-MLGOLLRUSA-N 2 1 273.355 2.495 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000423299645 377230549 /nfs/dbraw/zinc/23/05/49/377230549.db2.gz QHYDBDWEHMVQIF-STQMWFEESA-N 3 1 272.396 2.426 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(CCc3ccccc3F)C2)C1 ZINC000292225708 377232092 /nfs/dbraw/zinc/23/20/92/377232092.db2.gz VIWUHDNDWXHQEK-INIZCTEOSA-N 2 1 262.372 2.396 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](CCc3ccccc3F)C2)C1 ZINC000292225708 377232103 /nfs/dbraw/zinc/23/21/03/377232103.db2.gz VIWUHDNDWXHQEK-INIZCTEOSA-N 2 1 262.372 2.396 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CCc3ccccc3F)C2)C1 ZINC000292225708 377232110 /nfs/dbraw/zinc/23/21/10/377232110.db2.gz VIWUHDNDWXHQEK-INIZCTEOSA-N 2 1 262.372 2.396 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CCc3ccccc3F)C2)C1 ZINC000292225708 377232117 /nfs/dbraw/zinc/23/21/17/377232117.db2.gz VIWUHDNDWXHQEK-INIZCTEOSA-N 2 1 262.372 2.396 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCC[NH2+]C1 ZINC000423335649 377268423 /nfs/dbraw/zinc/26/84/23/377268423.db2.gz JEGGDXKEGPAGPR-HZMVEIRTSA-N 3 1 279.472 2.277 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH3+])CCC1 ZINC000423315846 377246289 /nfs/dbraw/zinc/24/62/89/377246289.db2.gz BCAXDNUPIVXYIY-RDJZCZTQSA-N 2 1 287.451 2.368 20 0 CEADMP CCC[NH2+]CC[NH2+][C@@H]1C[C@H](OCC)C12CCCC2 ZINC000423317821 377247871 /nfs/dbraw/zinc/24/78/71/377247871.db2.gz YURGTJHIDRUYBX-KGLIPLIRSA-N 2 1 254.418 2.313 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC[NH3+] ZINC000423320705 377250310 /nfs/dbraw/zinc/25/03/10/377250310.db2.gz DQZRMHSLQGZGHD-DOTOQJQBSA-N 3 1 275.440 2.226 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC[NH3+] ZINC000423320705 377250321 /nfs/dbraw/zinc/25/03/21/377250321.db2.gz DQZRMHSLQGZGHD-DOTOQJQBSA-N 3 1 275.440 2.226 20 0 CEADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423321648 377251687 /nfs/dbraw/zinc/25/16/87/377251687.db2.gz NHWSZCMBFOAZRC-ZUZCIYMTSA-N 2 1 261.369 2.033 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(C)c1OC ZINC000423277232 377202095 /nfs/dbraw/zinc/20/20/95/377202095.db2.gz OAHMWUNDBINNRR-IAQYHMDHSA-N 2 1 292.423 2.270 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)CCO1 ZINC000423276939 377203382 /nfs/dbraw/zinc/20/33/82/377203382.db2.gz NPTGBEZJUOGESY-HIFRSBDPSA-N 2 1 254.418 2.456 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000423277294 377203403 /nfs/dbraw/zinc/20/34/03/377203403.db2.gz PRRAWFJTBPREHF-RNCFNFMXSA-N 2 1 254.324 2.397 20 0 CEADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1OC ZINC000423279282 377204406 /nfs/dbraw/zinc/20/44/06/377204406.db2.gz RCCQZPIXXNOHRV-SWLSCSKDSA-N 2 1 292.423 2.270 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](N3CC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000563980704 377334338 /nfs/dbraw/zinc/33/43/38/377334338.db2.gz PFJUBGRWCPMMNK-OALUTQOASA-N 2 1 299.462 2.431 20 0 CEADMP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccn(C)n1 ZINC000564329360 377376342 /nfs/dbraw/zinc/37/63/42/377376342.db2.gz DGQJEHJVNMZAIN-AWEZNQCLSA-N 2 1 258.369 2.120 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccn1 ZINC000564099189 377347011 /nfs/dbraw/zinc/34/70/11/377347011.db2.gz HCBDOFUISVLMPN-STQMWFEESA-N 2 1 263.385 2.083 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccn1 ZINC000564099189 377347018 /nfs/dbraw/zinc/34/70/18/377347018.db2.gz HCBDOFUISVLMPN-STQMWFEESA-N 2 1 263.385 2.083 20 0 CEADMP Cc1cccnc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292930672 377356833 /nfs/dbraw/zinc/35/68/33/377356833.db2.gz IZOZNLSYWFVHMS-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cccnc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292930672 377356840 /nfs/dbraw/zinc/35/68/40/377356840.db2.gz IZOZNLSYWFVHMS-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cccnc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292930672 377356844 /nfs/dbraw/zinc/35/68/44/377356844.db2.gz IZOZNLSYWFVHMS-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cccnc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292930672 377356849 /nfs/dbraw/zinc/35/68/49/377356849.db2.gz IZOZNLSYWFVHMS-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000293275781 377502078 /nfs/dbraw/zinc/50/20/78/377502078.db2.gz NUBCQJUBEWJNKR-KRWDZBQOSA-N 2 1 276.424 2.356 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293424259 377561957 /nfs/dbraw/zinc/56/19/57/377561957.db2.gz NWTUAUYDCULADL-ZDUSSCGKSA-N 2 1 289.423 2.133 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000565172520 377587468 /nfs/dbraw/zinc/58/74/68/377587468.db2.gz OOJCXWYCTUGSEU-QWHCGFSZSA-N 2 1 269.339 2.330 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000565172520 377587476 /nfs/dbraw/zinc/58/74/76/377587476.db2.gz OOJCXWYCTUGSEU-QWHCGFSZSA-N 2 1 269.339 2.330 20 0 CEADMP C[C@H]1CCC[C@H](C)[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431098173 377599950 /nfs/dbraw/zinc/59/99/50/377599950.db2.gz FRWFUWQWWPCHNR-QWRGUYRKSA-N 2 1 266.389 2.274 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000166749378 542211927 /nfs/dbraw/zinc/21/19/27/542211927.db2.gz FPOTWJZJVYVDBP-MGPQQGTHSA-N 2 1 254.418 2.264 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCC[NH+]1CCC1)CC2 ZINC000565212885 377609102 /nfs/dbraw/zinc/60/91/02/377609102.db2.gz BESAOSZRPWSHHW-INIZCTEOSA-N 2 1 274.408 2.238 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CCCO1 ZINC000313341071 249393385 /nfs/dbraw/zinc/39/33/85/249393385.db2.gz MZSIOJMVPPEAQU-INIZCTEOSA-N 2 1 260.381 2.114 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CCCO1 ZINC000313341071 249393387 /nfs/dbraw/zinc/39/33/87/249393387.db2.gz MZSIOJMVPPEAQU-INIZCTEOSA-N 2 1 260.381 2.114 20 0 CEADMP Cc1ccc(C)c(OCCC[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000313346348 249393523 /nfs/dbraw/zinc/39/35/23/249393523.db2.gz RJXPUIYLLXOFPM-INIZCTEOSA-N 2 1 292.423 2.122 20 0 CEADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313348401 249393682 /nfs/dbraw/zinc/39/36/82/249393682.db2.gz UDIYDQVFUIGULK-HUUCEWRRSA-N 2 1 266.360 2.326 20 0 CEADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313348401 249393685 /nfs/dbraw/zinc/39/36/85/249393685.db2.gz UDIYDQVFUIGULK-HUUCEWRRSA-N 2 1 266.360 2.326 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CCO1 ZINC000432350911 377751032 /nfs/dbraw/zinc/75/10/32/377751032.db2.gz GNEFGGCUSMVUJN-YESZJQIVSA-N 2 1 298.471 2.282 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000435877566 377812309 /nfs/dbraw/zinc/81/23/09/377812309.db2.gz SCYRXXZFSNECPQ-CQSZACIVSA-N 2 1 276.380 2.204 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000435877566 377812311 /nfs/dbraw/zinc/81/23/11/377812311.db2.gz SCYRXXZFSNECPQ-CQSZACIVSA-N 2 1 276.380 2.204 20 0 CEADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@H]1CCOC1 ZINC000438124925 377890610 /nfs/dbraw/zinc/89/06/10/377890610.db2.gz HBJLPUWTYSGOAC-CVEARBPZSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+](C)CC1CCC(Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000441949464 377960201 /nfs/dbraw/zinc/96/02/01/377960201.db2.gz RQPAMDPXHYQKCA-UHFFFAOYSA-N 2 1 273.384 2.490 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c(C)c1 ZINC000442764480 377993771 /nfs/dbraw/zinc/99/37/71/377993771.db2.gz KUIGKFQODFAYON-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c(C)c1 ZINC000442764480 377993780 /nfs/dbraw/zinc/99/37/80/377993780.db2.gz KUIGKFQODFAYON-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442792848 377996042 /nfs/dbraw/zinc/99/60/42/377996042.db2.gz REFUTHLQJMESDJ-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442792848 377996049 /nfs/dbraw/zinc/99/60/49/377996049.db2.gz REFUTHLQJMESDJ-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(F)c1 ZINC000443059081 378032222 /nfs/dbraw/zinc/03/22/22/378032222.db2.gz LYKXWZPNVOIZJW-CYBMUJFWSA-N 2 1 293.386 2.133 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c(F)c1 ZINC000443059081 378032225 /nfs/dbraw/zinc/03/22/25/378032225.db2.gz LYKXWZPNVOIZJW-CYBMUJFWSA-N 2 1 293.386 2.133 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000443345906 378048540 /nfs/dbraw/zinc/04/85/40/378048540.db2.gz SVXYFYNXDIPQGF-GZBFAFLISA-N 2 1 265.401 2.063 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000443345906 378048547 /nfs/dbraw/zinc/04/85/47/378048547.db2.gz SVXYFYNXDIPQGF-GZBFAFLISA-N 2 1 265.401 2.063 20 0 CEADMP CC(C)[NH+]1CCC([N@H+](C)CCc2cscn2)CC1 ZINC000450340561 378362456 /nfs/dbraw/zinc/36/24/56/378362456.db2.gz WKFZWLGQFTXBBR-UHFFFAOYSA-N 2 1 267.442 2.490 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2cscn2)CC1 ZINC000450340561 378362460 /nfs/dbraw/zinc/36/24/60/378362460.db2.gz WKFZWLGQFTXBBR-UHFFFAOYSA-N 2 1 267.442 2.490 20 0 CEADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000450251845 378327733 /nfs/dbraw/zinc/32/77/33/378327733.db2.gz DRHNNYHGIQSVKQ-YOEHRIQHSA-N 2 1 276.424 2.177 20 0 CEADMP CN(CC[N@@H+](C)Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000450429926 378412707 /nfs/dbraw/zinc/41/27/07/378412707.db2.gz ODDWABAQACUNCR-GOSISDBHSA-N 2 1 289.467 2.392 20 0 CEADMP CN(CC[NH+](C)Cc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000450429926 378412709 /nfs/dbraw/zinc/41/27/09/378412709.db2.gz ODDWABAQACUNCR-GOSISDBHSA-N 2 1 289.467 2.392 20 0 CEADMP CN(CC[NH+](C)Cc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000450429926 378412711 /nfs/dbraw/zinc/41/27/11/378412711.db2.gz ODDWABAQACUNCR-GOSISDBHSA-N 2 1 289.467 2.392 20 0 CEADMP Cc1cccnc1CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000296254783 378467124 /nfs/dbraw/zinc/46/71/24/378467124.db2.gz DAYXFNSLBPJEST-CABCVRRESA-N 2 1 261.413 2.395 20 0 CEADMP c1nc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cs1 ZINC000450440606 378418237 /nfs/dbraw/zinc/41/82/37/378418237.db2.gz PLJYPBLFSAZMCF-AWEZNQCLSA-N 2 1 279.453 2.493 20 0 CEADMP c1nc(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cs1 ZINC000450440606 378418242 /nfs/dbraw/zinc/41/82/42/378418242.db2.gz PLJYPBLFSAZMCF-AWEZNQCLSA-N 2 1 279.453 2.493 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2ccccc2)[C@H](C)C1 ZINC000266117931 190231716 /nfs/dbraw/zinc/23/17/16/190231716.db2.gz OKUAUJVUEYPOKX-HYVNUMGLSA-N 2 1 276.424 2.214 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000450859641 378619029 /nfs/dbraw/zinc/61/90/29/378619029.db2.gz MHYVQPLVCINMKY-QKPAOTATSA-N 2 1 278.440 2.408 20 0 CEADMP OCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000298484428 378741209 /nfs/dbraw/zinc/74/12/09/378741209.db2.gz POIKMBXPILOYCI-QGZVFWFLSA-N 2 1 274.408 2.327 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453055084 378787451 /nfs/dbraw/zinc/78/74/51/378787451.db2.gz IUPHUCXNNWWLHK-HPBDAGMYSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCn3ccnc32)C1 ZINC000453059326 378790095 /nfs/dbraw/zinc/79/00/95/378790095.db2.gz MMSPAVGCQDZGTG-HUUCEWRRSA-N 2 1 276.428 2.430 20 0 CEADMP CCC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCC1 ZINC000453104627 378804821 /nfs/dbraw/zinc/80/48/21/378804821.db2.gz ZYDBTLVDJOVFIT-INIZCTEOSA-N 2 1 268.445 2.392 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC)C23CCC3)[C@@H](C)C1 ZINC000453121224 378811513 /nfs/dbraw/zinc/81/15/13/378811513.db2.gz ODJKJZUWJKKYDE-XQLPTFJDSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)c1nc([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)no1 ZINC000346835532 218030659 /nfs/dbraw/zinc/03/06/59/218030659.db2.gz TUXJKOLZBLNYFL-UONOGXRCSA-N 2 1 292.427 2.372 20 0 CEADMP CC(C)c1nc([C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)no1 ZINC000346835532 218030662 /nfs/dbraw/zinc/03/06/62/218030662.db2.gz TUXJKOLZBLNYFL-UONOGXRCSA-N 2 1 292.427 2.372 20 0 CEADMP CCc1nccn1[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346848577 218036921 /nfs/dbraw/zinc/03/69/21/218036921.db2.gz FGNHIJJKVLVMHU-LSDHHAIUSA-N 2 1 276.428 2.082 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2nccn21 ZINC000453390710 378883661 /nfs/dbraw/zinc/88/36/61/378883661.db2.gz DFYILWBZRLVKMY-JSGCOSHPSA-N 2 1 262.401 2.353 20 0 CEADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000453401497 378887840 /nfs/dbraw/zinc/88/78/40/378887840.db2.gz LNZCQMXCWOYRQH-BYNSBNAKSA-N 2 1 254.418 2.406 20 0 CEADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000453401497 378887848 /nfs/dbraw/zinc/88/78/48/378887848.db2.gz LNZCQMXCWOYRQH-BYNSBNAKSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)CC[N@H+]1C ZINC000453362592 378874158 /nfs/dbraw/zinc/87/41/58/378874158.db2.gz BJQHOUXPVXXZCZ-UONOGXRCSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)CC[N@H+]1C ZINC000453362594 378874539 /nfs/dbraw/zinc/87/45/39/378874539.db2.gz BJQHOUXPVXXZCZ-ZIAGYGMSSA-N 2 1 268.445 2.390 20 0 CEADMP CCn1ccnc1[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000453375513 378878296 /nfs/dbraw/zinc/87/82/96/378878296.db2.gz XUWDIRCUNXSDAD-XDQVBPFNSA-N 2 1 264.417 2.282 20 0 CEADMP CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000347017354 218092050 /nfs/dbraw/zinc/09/20/50/218092050.db2.gz DMIGEEQCXHDXMP-AWEZNQCLSA-N 2 1 278.396 2.265 20 0 CEADMP CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000347017354 218092053 /nfs/dbraw/zinc/09/20/53/218092053.db2.gz DMIGEEQCXHDXMP-AWEZNQCLSA-N 2 1 278.396 2.265 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCOC(C)(C)C2)s1 ZINC000453583740 378912495 /nfs/dbraw/zinc/91/24/95/378912495.db2.gz PLPYKRPQNKGSOE-LBPRGKRZSA-N 2 1 297.468 2.500 20 0 CEADMP COc1ccccc1/C=C/C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347058360 218107803 /nfs/dbraw/zinc/10/78/03/218107803.db2.gz WJTNPDSELQIPQZ-HSRYQADGSA-N 2 1 260.381 2.378 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347058360 218107804 /nfs/dbraw/zinc/10/78/04/218107804.db2.gz WJTNPDSELQIPQZ-HSRYQADGSA-N 2 1 260.381 2.378 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])ccc1-n1cncn1 ZINC000347024319 218095834 /nfs/dbraw/zinc/09/58/34/218095834.db2.gz QTNTZAPXHXNTTA-GUYCJALGSA-N 2 1 299.422 2.135 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])ccc1-n1cncn1 ZINC000347024319 218095836 /nfs/dbraw/zinc/09/58/36/218095836.db2.gz QTNTZAPXHXNTTA-GUYCJALGSA-N 2 1 299.422 2.135 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347115833 218126750 /nfs/dbraw/zinc/12/67/50/218126750.db2.gz VOFCFAXXXKBRGX-HNNXBMFYSA-N 2 1 284.407 2.351 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347115833 218126752 /nfs/dbraw/zinc/12/67/52/218126752.db2.gz VOFCFAXXXKBRGX-HNNXBMFYSA-N 2 1 284.407 2.351 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCCC2)[C@H](C)C1 ZINC000347414050 218227076 /nfs/dbraw/zinc/22/70/76/218227076.db2.gz OCZCYDJKFBITQF-CABCVRRESA-N 2 1 268.445 2.249 20 0 CEADMP C[C@@H](F)CC[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000510616709 379118892 /nfs/dbraw/zinc/11/88/92/379118892.db2.gz FXUHGCLLJNCZDF-IJEWVQPXSA-N 2 1 296.434 2.483 20 0 CEADMP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000300409423 379167579 /nfs/dbraw/zinc/16/75/79/379167579.db2.gz ADCOCJBLIBMWAD-SJORKVTESA-N 2 1 279.472 2.323 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cs1 ZINC000300412773 379168783 /nfs/dbraw/zinc/16/87/83/379168783.db2.gz VTSHJRVUXKTHSV-ZYHUDNBSSA-N 2 1 253.415 2.066 20 0 CEADMP COC1CC([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000347481541 218251514 /nfs/dbraw/zinc/25/15/14/218251514.db2.gz JHRZZMFJERBEAQ-ILGZHXLLSA-N 2 1 266.429 2.406 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000347526241 218262575 /nfs/dbraw/zinc/26/25/75/218262575.db2.gz NVHHRYIMOGVNBG-ZIAGYGMSSA-N 2 1 283.460 2.144 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000516089761 379257066 /nfs/dbraw/zinc/25/70/66/379257066.db2.gz WIHIZHXMBQFAPZ-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP COC[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266618204 190271719 /nfs/dbraw/zinc/27/17/19/190271719.db2.gz KFKNABNNGBITKS-DOTOQJQBSA-N 2 1 276.424 2.475 20 0 CEADMP COC[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266618204 190271720 /nfs/dbraw/zinc/27/17/20/190271720.db2.gz KFKNABNNGBITKS-DOTOQJQBSA-N 2 1 276.424 2.475 20 0 CEADMP COC[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266618204 190271721 /nfs/dbraw/zinc/27/17/21/190271721.db2.gz KFKNABNNGBITKS-DOTOQJQBSA-N 2 1 276.424 2.475 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cn1 ZINC000278993517 194243769 /nfs/dbraw/zinc/24/37/69/194243769.db2.gz QHOBXYMBEBUBHR-RYUDHWBXSA-N 2 1 274.343 2.330 20 0 CEADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000303047184 379484724 /nfs/dbraw/zinc/48/47/24/379484724.db2.gz WPVMTOILVHGIQN-CVEARBPZSA-N 2 1 276.424 2.411 20 0 CEADMP C[C@H](CNC(=O)C[N@H+]1CCC(C)(C)C1)[NH+]1CCCC[C@@H]1C ZINC000521641853 379538869 /nfs/dbraw/zinc/53/88/69/379538869.db2.gz WRDRLKYKKLRYSC-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](CNC(=O)C[NH+]1CCC(C)(C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000521641853 379538877 /nfs/dbraw/zinc/53/88/77/379538877.db2.gz WRDRLKYKKLRYSC-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](CNC(=O)C[NH+]1CCC(C)(C)C1)[N@H+]1CCCC[C@@H]1C ZINC000521641853 379538886 /nfs/dbraw/zinc/53/88/86/379538886.db2.gz WRDRLKYKKLRYSC-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000521855980 379546814 /nfs/dbraw/zinc/54/68/14/379546814.db2.gz FQKFHMBKFOERLP-LBPRGKRZSA-N 2 1 283.379 2.494 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000521855980 379546824 /nfs/dbraw/zinc/54/68/24/379546824.db2.gz FQKFHMBKFOERLP-LBPRGKRZSA-N 2 1 283.379 2.494 20 0 CEADMP CCc1nnc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000524156111 379612009 /nfs/dbraw/zinc/61/20/09/379612009.db2.gz KESHXSSAZCHADJ-UHFFFAOYSA-N 2 1 280.416 2.184 20 0 CEADMP CCc1nnc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000524156111 379612010 /nfs/dbraw/zinc/61/20/10/379612010.db2.gz KESHXSSAZCHADJ-UHFFFAOYSA-N 2 1 280.416 2.184 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000305148406 379659721 /nfs/dbraw/zinc/65/97/21/379659721.db2.gz SQHBXGYTDIMFFO-KBPBESRZSA-N 2 1 256.434 2.248 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@]1(CO)CCc2ccccc21 ZINC000305707439 379736685 /nfs/dbraw/zinc/73/66/85/379736685.db2.gz DGAUBONXJABXLA-KRWDZBQOSA-N 2 1 285.391 2.005 20 0 CEADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000526106460 379701986 /nfs/dbraw/zinc/70/19/86/379701986.db2.gz ZIHRGSDOHHHDBX-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(CO)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305355291 379709546 /nfs/dbraw/zinc/70/95/46/379709546.db2.gz RUSHSDJCUWLPJB-ZIAGYGMSSA-N 2 1 254.418 2.002 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@]2(C)OCC)[C@@H](C)C1 ZINC000527974700 379862536 /nfs/dbraw/zinc/86/25/36/379862536.db2.gz OEJWZONITYBURT-HZMVEIRTSA-N 2 1 298.471 2.281 20 0 CEADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527805331 379820324 /nfs/dbraw/zinc/82/03/24/379820324.db2.gz CTDIARVUZOOHNV-VBQJREDUSA-N 2 1 299.418 2.030 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CC[NH+]1C1CCCC1 ZINC000528013547 379876033 /nfs/dbraw/zinc/87/60/33/379876033.db2.gz SIUWOSHEPJGUEE-SRABZTEZSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528013547 379876037 /nfs/dbraw/zinc/87/60/37/379876037.db2.gz SIUWOSHEPJGUEE-SRABZTEZSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528013547 379876041 /nfs/dbraw/zinc/87/60/41/379876041.db2.gz SIUWOSHEPJGUEE-SRABZTEZSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000528013547 379876044 /nfs/dbraw/zinc/87/60/44/379876044.db2.gz SIUWOSHEPJGUEE-SRABZTEZSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000528013547 379876046 /nfs/dbraw/zinc/87/60/46/379876046.db2.gz SIUWOSHEPJGUEE-SRABZTEZSA-N 2 1 279.472 2.322 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458225832 380050050 /nfs/dbraw/zinc/05/00/50/380050050.db2.gz SFPQHSVIDGJMQD-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333837667 380161500 /nfs/dbraw/zinc/16/15/00/380161500.db2.gz KMTKNTUJPPXIOB-BXUZGUMPSA-N 2 1 290.411 2.472 20 0 CEADMP Cn1cncc1CC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000334555872 380583891 /nfs/dbraw/zinc/58/38/91/380583891.db2.gz ZTVHLYAWEBWTCL-SFHVURJKSA-N 2 1 297.402 2.484 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCCn2ccnc2)[C@H]2CCC[C@H]21 ZINC000552034093 380677374 /nfs/dbraw/zinc/67/73/74/380677374.db2.gz DKBSFBLOQYFLLR-OWCLPIDISA-N 3 1 276.428 2.126 20 0 CEADMP CN1CC[C@H]([NH2+]CCCCn2ccnc2)[C@H]2CCC[C@H]21 ZINC000552034093 380677379 /nfs/dbraw/zinc/67/73/79/380677379.db2.gz DKBSFBLOQYFLLR-OWCLPIDISA-N 3 1 276.428 2.126 20 0 CEADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C(C)C)CC2)CC1 ZINC000552905213 380717374 /nfs/dbraw/zinc/71/73/74/380717374.db2.gz TYEZXDOZPFCAQT-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP C[NH+](C)CCC[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000554877649 380800615 /nfs/dbraw/zinc/80/06/15/380800615.db2.gz OPQWQUSPELGDAP-UHFFFAOYSA-N 2 1 272.396 2.256 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000554877649 380800621 /nfs/dbraw/zinc/80/06/21/380800621.db2.gz OPQWQUSPELGDAP-UHFFFAOYSA-N 2 1 272.396 2.256 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000555880362 380853943 /nfs/dbraw/zinc/85/39/43/380853943.db2.gz LEAYZULKNAOGSY-LSDHHAIUSA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000555880362 380853948 /nfs/dbraw/zinc/85/39/48/380853948.db2.gz LEAYZULKNAOGSY-LSDHHAIUSA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000555880361 380854975 /nfs/dbraw/zinc/85/49/75/380854975.db2.gz LEAYZULKNAOGSY-HUUCEWRRSA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000555880361 380854982 /nfs/dbraw/zinc/85/49/82/380854982.db2.gz LEAYZULKNAOGSY-HUUCEWRRSA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000335249982 208024748 /nfs/dbraw/zinc/02/47/48/208024748.db2.gz OWFHGGOCPQMTDO-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000335249982 208024753 /nfs/dbraw/zinc/02/47/53/208024753.db2.gz OWFHGGOCPQMTDO-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000335249982 208024759 /nfs/dbraw/zinc/02/47/59/208024759.db2.gz OWFHGGOCPQMTDO-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CC[C@@H]1[NH3+] ZINC000335265078 208056977 /nfs/dbraw/zinc/05/69/77/208056977.db2.gz FLVXJQYVPUNGGZ-RISCZKNCSA-N 2 1 276.409 2.103 20 0 CEADMP CCC[C@H](C)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000349061775 218802253 /nfs/dbraw/zinc/80/22/53/218802253.db2.gz KACRDPMWCJNYLV-HNNXBMFYSA-N 2 1 269.477 2.380 20 0 CEADMP Cc1ccn2c(C[N@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cnc2c1 ZINC000335348059 208247126 /nfs/dbraw/zinc/24/71/26/208247126.db2.gz CSQLQVMLCHHSSW-CZUORRHYSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1ccn2c(C[N@@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cnc2c1 ZINC000335348059 208247128 /nfs/dbraw/zinc/24/71/28/208247128.db2.gz CSQLQVMLCHHSSW-CZUORRHYSA-N 2 1 272.396 2.059 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)n[nH]c2C)[C@@H](C)C1 ZINC000353750250 220301971 /nfs/dbraw/zinc/30/19/71/220301971.db2.gz NLAZHIMOCHBTAW-NHYWBVRUSA-N 2 1 264.417 2.189 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)n[nH]c2C)[C@@H](C)C1 ZINC000353750250 220301975 /nfs/dbraw/zinc/30/19/75/220301975.db2.gz NLAZHIMOCHBTAW-NHYWBVRUSA-N 2 1 264.417 2.189 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)n[nH]c2C)[C@@H](C)C1 ZINC000353750250 220301978 /nfs/dbraw/zinc/30/19/78/220301978.db2.gz NLAZHIMOCHBTAW-NHYWBVRUSA-N 2 1 264.417 2.189 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)n[nH]c2C)[C@@H](C)C1 ZINC000353750250 220301982 /nfs/dbraw/zinc/30/19/82/220301982.db2.gz NLAZHIMOCHBTAW-NHYWBVRUSA-N 2 1 264.417 2.189 20 0 CEADMP Cc1cccc([C@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)c1 ZINC000289309200 197292299 /nfs/dbraw/zinc/29/22/99/197292299.db2.gz CLABHGQOHCZPJY-WMZOPIPTSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1cccc([C@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)c1 ZINC000289309200 197292300 /nfs/dbraw/zinc/29/23/00/197292300.db2.gz CLABHGQOHCZPJY-WMZOPIPTSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1cccc([C@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000289309200 197292301 /nfs/dbraw/zinc/29/23/01/197292301.db2.gz CLABHGQOHCZPJY-WMZOPIPTSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1cccc([C@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000289309200 197292302 /nfs/dbraw/zinc/29/23/02/197292302.db2.gz CLABHGQOHCZPJY-WMZOPIPTSA-N 2 1 288.435 2.239 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000337378181 285147872 /nfs/dbraw/zinc/14/78/72/285147872.db2.gz BXWIDFLHCHFANQ-AJNGGQMLSA-N 2 1 254.418 2.264 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000337378181 285147873 /nfs/dbraw/zinc/14/78/73/285147873.db2.gz BXWIDFLHCHFANQ-AJNGGQMLSA-N 2 1 254.418 2.264 20 0 CEADMP OC1(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCC1 ZINC000336805165 285237667 /nfs/dbraw/zinc/23/76/67/285237667.db2.gz UGCCIFMMSYUKRU-HNNXBMFYSA-N 2 1 266.429 2.099 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)C(C)C ZINC000353727646 285247831 /nfs/dbraw/zinc/24/78/31/285247831.db2.gz JLKITCVLJQKAFX-HZPDHXFCSA-N 2 1 297.487 2.153 20 0 CEADMP COC[C@@H]1CCCC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414756314 285260152 /nfs/dbraw/zinc/26/01/52/285260152.db2.gz JNDVCGPWPFVGTH-RRFJBIMHSA-N 2 1 254.418 2.123 20 0 CEADMP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000190595234 285303722 /nfs/dbraw/zinc/30/37/22/285303722.db2.gz XMIIZYHQLMTYPA-WBVHZDCISA-N 2 1 280.456 2.345 20 0 CEADMP O[C@H](C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000363256873 285354355 /nfs/dbraw/zinc/35/43/55/285354355.db2.gz PZHGOLOHCWPENR-VSZNYVQBSA-N 2 1 286.419 2.136 20 0 CEADMP O[C@H](C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000363256873 285354359 /nfs/dbraw/zinc/35/43/59/285354359.db2.gz PZHGOLOHCWPENR-VSZNYVQBSA-N 2 1 286.419 2.136 20 0 CEADMP O[C@H](C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000363256873 285354363 /nfs/dbraw/zinc/35/43/63/285354363.db2.gz PZHGOLOHCWPENR-VSZNYVQBSA-N 2 1 286.419 2.136 20 0 CEADMP COc1cccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1OC ZINC000414909393 533513454 /nfs/dbraw/zinc/51/34/54/533513454.db2.gz RRFTZVQJNZCARS-MRXNPFEDSA-N 2 1 278.396 2.183 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421025329 394471247 /nfs/dbraw/zinc/47/12/47/394471247.db2.gz YKESPQONJGYARX-HNNXBMFYSA-N 2 1 265.401 2.066 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](CCO)CC1 ZINC000421025329 394471251 /nfs/dbraw/zinc/47/12/51/394471251.db2.gz YKESPQONJGYARX-HNNXBMFYSA-N 2 1 265.401 2.066 20 0 CEADMP CC[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000355677880 394498675 /nfs/dbraw/zinc/49/86/75/394498675.db2.gz YBAWUVNISABOJC-FXUDXRNXSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCC2(O)CCC2)[C@@H](C)C1 ZINC000421373295 394515920 /nfs/dbraw/zinc/51/59/20/394515920.db2.gz DWTZNTROTACRBB-KBPBESRZSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCO2 ZINC000044534519 394506702 /nfs/dbraw/zinc/50/67/02/394506702.db2.gz CGOKNTHULIMJIV-QWHCGFSZSA-N 2 1 276.380 2.408 20 0 CEADMP C(C[NH+]1CCCCCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250849534 394565384 /nfs/dbraw/zinc/56/53/84/394565384.db2.gz NUYYMSCLEYAISS-CVEARBPZSA-N 2 1 265.445 2.079 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NC1CCCCC1 ZINC000251382404 394567601 /nfs/dbraw/zinc/56/76/01/394567601.db2.gz ZLCLTCAVOUIBEB-HIFRSBDPSA-N 2 1 283.460 2.129 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NC1CCCCC1 ZINC000251382404 394567605 /nfs/dbraw/zinc/56/76/05/394567605.db2.gz ZLCLTCAVOUIBEB-HIFRSBDPSA-N 2 1 283.460 2.129 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000248178033 394537923 /nfs/dbraw/zinc/53/79/23/394537923.db2.gz VYGKNUDGAZKUFY-OWCLPIDISA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248178033 394537926 /nfs/dbraw/zinc/53/79/26/394537926.db2.gz VYGKNUDGAZKUFY-OWCLPIDISA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248178033 394537927 /nfs/dbraw/zinc/53/79/27/394537927.db2.gz VYGKNUDGAZKUFY-OWCLPIDISA-N 2 1 267.461 2.323 20 0 CEADMP Cc1ccc2[nH+]ccc(N3CC[N@H+](C[C@@H](C)O)C[C@H]3C)c2c1 ZINC000248676245 394545398 /nfs/dbraw/zinc/54/53/98/394545398.db2.gz YTZJSYYNDFHABS-HUUCEWRRSA-N 2 1 299.418 2.435 20 0 CEADMP CN(CC1([NH+](C)C)CCC1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000356934031 394655376 /nfs/dbraw/zinc/65/53/76/394655376.db2.gz XZLOXQUTWSJQGG-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000094279916 394670628 /nfs/dbraw/zinc/67/06/28/394670628.db2.gz SMLBBQILPUDEAF-KFWWJZLASA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000094279916 394670631 /nfs/dbraw/zinc/67/06/31/394670631.db2.gz SMLBBQILPUDEAF-KFWWJZLASA-N 2 1 266.429 2.408 20 0 CEADMP c1cc(CCC[N@H+]2CCC3(C2)CC[NH2+]CC3)ccn1 ZINC000257686301 394596221 /nfs/dbraw/zinc/59/62/21/394596221.db2.gz MJSKGGKKKYHTBV-UHFFFAOYSA-N 2 1 259.397 2.090 20 0 CEADMP COC1([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)CCCCC1 ZINC000421826734 394606815 /nfs/dbraw/zinc/60/68/15/394606815.db2.gz UNIPKPVSFIVGGC-OAHLLOKOSA-N 2 1 298.471 2.161 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccnc3CC2)CC[N@@H+]1C ZINC000421828000 394607895 /nfs/dbraw/zinc/60/78/95/394607895.db2.gz AMIHNRJOXPGDTN-VNQPRFMTSA-N 2 1 273.424 2.401 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccnc3CC2)CC[N@H+]1C ZINC000421828000 394607897 /nfs/dbraw/zinc/60/78/97/394607897.db2.gz AMIHNRJOXPGDTN-VNQPRFMTSA-N 2 1 273.424 2.401 20 0 CEADMP COC1([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CCCC1 ZINC000421838231 394611323 /nfs/dbraw/zinc/61/13/23/394611323.db2.gz UYUQZJKZDPXBGC-HOTGVXAUSA-N 2 1 298.471 2.161 20 0 CEADMP COC1([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CCCC1 ZINC000421838233 394611487 /nfs/dbraw/zinc/61/14/87/394611487.db2.gz UYUQZJKZDPXBGC-JKSUJKDBSA-N 2 1 298.471 2.161 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCC2(O)CCC2)[C@@H]2CCC[C@@H]21 ZINC000421854443 394617409 /nfs/dbraw/zinc/61/74/09/394617409.db2.gz KOIDMXULPYCISI-KKUMJFAQSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3c[nH]nc32)CC[N@@H+]1C ZINC000093644187 394668543 /nfs/dbraw/zinc/66/85/43/394668543.db2.gz YBWGDLRKCKPMGO-IUODEOHRSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3c[nH]nc32)CC[N@H+]1C ZINC000093644187 394668546 /nfs/dbraw/zinc/66/85/46/394668546.db2.gz YBWGDLRKCKPMGO-IUODEOHRSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc3c[nH]nc32)CC[NH+]1C ZINC000093644187 394668548 /nfs/dbraw/zinc/66/85/48/394668548.db2.gz YBWGDLRKCKPMGO-IUODEOHRSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3c[nH]nc32)CC[NH+]1C ZINC000093644187 394668550 /nfs/dbraw/zinc/66/85/50/394668550.db2.gz YBWGDLRKCKPMGO-IUODEOHRSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@H]1CCCOC1 ZINC000356867738 394636646 /nfs/dbraw/zinc/63/66/46/394636646.db2.gz MYJHXFAJZLQRKA-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCCOC1 ZINC000356898536 394646418 /nfs/dbraw/zinc/64/64/18/394646418.db2.gz NEEWZBPONJPRPR-BLNMRFBMSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCOC1 ZINC000356898536 394646421 /nfs/dbraw/zinc/64/64/21/394646421.db2.gz NEEWZBPONJPRPR-BLNMRFBMSA-N 2 1 266.429 2.406 20 0 CEADMP [NH3+]C1(C[NH2+][C@H]2CSCCc3ccccc32)CCC1 ZINC000335050307 394731415 /nfs/dbraw/zinc/73/14/15/394731415.db2.gz BMODVTSBNRAYFS-AWEZNQCLSA-N 2 1 262.422 2.488 20 0 CEADMP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(F)c1 ZINC000422737075 394748621 /nfs/dbraw/zinc/74/86/21/394748621.db2.gz XCVLJGZPHFEPBW-WFVVYAPDSA-N 2 1 291.414 2.301 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714563 394734880 /nfs/dbraw/zinc/73/48/80/394734880.db2.gz LAUUIIUMJZUBKL-XYJFISCASA-N 2 1 289.467 2.266 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714563 394734882 /nfs/dbraw/zinc/73/48/82/394734882.db2.gz LAUUIIUMJZUBKL-XYJFISCASA-N 3 1 289.467 2.266 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714563 394734884 /nfs/dbraw/zinc/73/48/84/394734884.db2.gz LAUUIIUMJZUBKL-XYJFISCASA-N 3 1 289.467 2.266 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422738463 394749650 /nfs/dbraw/zinc/74/96/50/394749650.db2.gz YVLIHFMSXAAFTH-JYJNAYRXSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000422715487 394736055 /nfs/dbraw/zinc/73/60/55/394736055.db2.gz MINBFQNMILDKFL-UKRRQHHQSA-N 2 1 279.403 2.240 20 0 CEADMP CCc1ccc([C@@H](C[NH2+][C@@H](C)C2C[NH2+]C2)N(C)C)cc1 ZINC000422727521 394743015 /nfs/dbraw/zinc/74/30/15/394743015.db2.gz CUSXZJRKCXMMIU-SUMWQHHRSA-N 2 1 275.440 2.049 20 0 CEADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422738069 394749341 /nfs/dbraw/zinc/74/93/41/394749341.db2.gz JCQWRKHRXPXFFR-CABCVRRESA-N 3 1 255.450 2.358 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422738069 394749344 /nfs/dbraw/zinc/74/93/44/394749344.db2.gz JCQWRKHRXPXFFR-CABCVRRESA-N 3 1 255.450 2.358 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+]([C@@H]3CCOC3)C2)CC1 ZINC000334443002 394685766 /nfs/dbraw/zinc/68/57/66/394685766.db2.gz AOMIHFUOKGYJSY-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@H+]([C@@H]3CCOC3)C2)CC1 ZINC000334443002 394685771 /nfs/dbraw/zinc/68/57/71/394685771.db2.gz AOMIHFUOKGYJSY-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@@H]2C[C@H]2C)CC1 ZINC000414060646 394689147 /nfs/dbraw/zinc/68/91/47/394689147.db2.gz JUOHHMKZRLOBJZ-BZUAXINKSA-N 2 1 267.461 2.038 20 0 CEADMP COCc1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cs1 ZINC000357039821 394690535 /nfs/dbraw/zinc/69/05/35/394690535.db2.gz AVSRKDHFWURXIW-ZDUSSCGKSA-N 2 1 295.452 2.111 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCN[C@@H](C)c1c[nH+]ccc1N ZINC000422733338 394746086 /nfs/dbraw/zinc/74/60/86/394746086.db2.gz QUQCVBIDYCYISZ-KBPBESRZSA-N 2 1 276.428 2.409 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1C ZINC000414127663 394710615 /nfs/dbraw/zinc/71/06/15/394710615.db2.gz SIUPUADPAULUBD-FPCVCCKLSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)n21 ZINC000422563853 394712512 /nfs/dbraw/zinc/71/25/12/394712512.db2.gz UPPTURHHOYJNMS-CFVMTHIKSA-N 2 1 286.423 2.448 20 0 CEADMP C[C@H]1CCC[C@@H]([NH+]2CCC(NCC[NH+]3CCC3)CC2)C1 ZINC000358339691 394718835 /nfs/dbraw/zinc/71/88/35/394718835.db2.gz JUKMCCUROGYOCJ-DOTOQJQBSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1C[C@@H]1C ZINC000414156917 394719305 /nfs/dbraw/zinc/71/93/05/394719305.db2.gz VPKWBPPMCUTWBN-YJNKXOJESA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H]1C[C@@H]1C ZINC000414156917 394719307 /nfs/dbraw/zinc/71/93/07/394719307.db2.gz VPKWBPPMCUTWBN-YJNKXOJESA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](CCC2CCCCC2)CC(N)=O)CC[NH2+]1 ZINC000414695064 394747912 /nfs/dbraw/zinc/74/79/12/394747912.db2.gz ORZGBFYSVATCFF-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]([NH2+]CCc1c(F)cccc1F)[C@H]1CCC[NH2+]1 ZINC000422696804 394724689 /nfs/dbraw/zinc/72/46/89/394724689.db2.gz SLNHWVGRDLDHLP-QMTHXVAHSA-N 2 1 254.324 2.237 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1c[nH+]ccc1N ZINC000422701008 394726847 /nfs/dbraw/zinc/72/68/47/394726847.db2.gz HUIILCJZWBDWFY-XHDPSFHLSA-N 2 1 263.385 2.086 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C2 ZINC000414189955 394726956 /nfs/dbraw/zinc/72/69/56/394726956.db2.gz RDCFRGWBLIHQBX-VHDGCEQUSA-N 2 1 274.408 2.235 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C2 ZINC000414189955 394726960 /nfs/dbraw/zinc/72/69/60/394726960.db2.gz RDCFRGWBLIHQBX-VHDGCEQUSA-N 2 1 274.408 2.235 20 0 CEADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cnn(C)c1 ZINC000414199489 394729164 /nfs/dbraw/zinc/72/91/64/394729164.db2.gz XGXRIIVCJFPTPL-UKRRQHHQSA-N 2 1 264.417 2.193 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414952722 394821998 /nfs/dbraw/zinc/82/19/98/394821998.db2.gz ITOZMGWCZFMPHH-ABAIWWIYSA-N 2 1 278.444 2.343 20 0 CEADMP c1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000414824837 394754886 /nfs/dbraw/zinc/75/48/86/394754886.db2.gz BGNANSITXINLFM-MRXNPFEDSA-N 3 1 287.451 2.240 20 0 CEADMP Cc1ccccc1OCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422746896 394756658 /nfs/dbraw/zinc/75/66/58/394756658.db2.gz XLYPBUFGTKDZJH-HUUCEWRRSA-N 2 1 262.397 2.494 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCc3ccccc32)[C@@H](C)C1 ZINC000271425961 394756758 /nfs/dbraw/zinc/75/67/58/394756758.db2.gz AEGOYMLHGFLZKV-JCGIZDLHSA-N 2 1 288.435 2.140 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(N3CCCC3)nc2)CCCCC1 ZINC000414838619 394763488 /nfs/dbraw/zinc/76/34/88/394763488.db2.gz IKAATEIVRPIHOP-UHFFFAOYSA-N 2 1 288.439 2.433 20 0 CEADMP CCOC(=O)C[C@H](C)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000119060821 394763657 /nfs/dbraw/zinc/76/36/57/394763657.db2.gz XLOCQVLWDOCZOI-AWEZNQCLSA-N 2 1 270.417 2.136 20 0 CEADMP C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414845566 394766936 /nfs/dbraw/zinc/76/69/36/394766936.db2.gz DQBMMQFYQMHFBQ-MAUKXSAKSA-N 2 1 298.434 2.409 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000414844080 394766960 /nfs/dbraw/zinc/76/69/60/394766960.db2.gz QZAFJIOEAISCLQ-LLVKDONJSA-N 2 1 262.353 2.387 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000414846289 394767941 /nfs/dbraw/zinc/76/79/41/394767941.db2.gz UOPWYBQBHUAUGP-ZMSDIMECSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@@H](NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422771258 394773149 /nfs/dbraw/zinc/77/31/49/394773149.db2.gz XHEFWJPNZMQPQJ-RRFJBIMHSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000422771773 394773452 /nfs/dbraw/zinc/77/34/52/394773452.db2.gz YOZSRXLJYBETCK-QPSCCSFWSA-N 2 1 268.445 2.415 20 0 CEADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)[C@@H]1CCC[NH2+]1 ZINC000422779331 394778447 /nfs/dbraw/zinc/77/84/47/394778447.db2.gz IGGLDEQXPMJCTB-CABCVRRESA-N 3 1 264.417 2.092 20 0 CEADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422779118 394778463 /nfs/dbraw/zinc/77/84/63/394778463.db2.gz BLEWJRDNIJFPNW-HZSPNIEDSA-N 2 1 278.396 2.193 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000414866921 394778540 /nfs/dbraw/zinc/77/85/40/394778540.db2.gz NLADPKVWPRRMTO-OIISXLGYSA-N 2 1 273.424 2.164 20 0 CEADMP CCOc1c(OC)cc(C[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000414874028 394781707 /nfs/dbraw/zinc/78/17/07/394781707.db2.gz ANOBBWVHWUVOFQ-UHFFFAOYSA-N 2 1 294.395 2.074 20 0 CEADMP [NH3+][C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000414887875 394789717 /nfs/dbraw/zinc/78/97/17/394789717.db2.gz JEYXNOSOSQDGSD-INDMIFKZSA-N 2 1 299.462 2.224 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)NCCC[N@@H+](C)Cc1ccccc1 ZINC000422792777 394790513 /nfs/dbraw/zinc/79/05/13/394790513.db2.gz WKXFNUJLRVSTSB-HUUCEWRRSA-N 2 1 263.429 2.224 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000422792777 394790516 /nfs/dbraw/zinc/79/05/16/394790516.db2.gz WKXFNUJLRVSTSB-HUUCEWRRSA-N 3 1 263.429 2.224 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000422792777 394790518 /nfs/dbraw/zinc/79/05/18/394790518.db2.gz WKXFNUJLRVSTSB-HUUCEWRRSA-N 3 1 263.429 2.224 20 0 CEADMP C[C@H](NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422800896 394795550 /nfs/dbraw/zinc/79/55/50/394795550.db2.gz DFGIUUMZDDERIQ-AEGPPILISA-N 2 1 281.469 2.471 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414933296 394809408 /nfs/dbraw/zinc/80/94/08/394809408.db2.gz DNSAREZNXPKAPX-ZBFHGGJFSA-N 2 1 284.407 2.268 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nccn2Cc2ccccc2)C1 ZINC000414932361 394809788 /nfs/dbraw/zinc/80/97/88/394809788.db2.gz VOQQSOVPJNRQGV-JKSUJKDBSA-N 2 1 284.407 2.291 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000422821886 394811866 /nfs/dbraw/zinc/81/18/66/394811866.db2.gz ZCBPZXODVCGIFZ-CVEARBPZSA-N 2 1 288.439 2.431 20 0 CEADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000414938221 394811934 /nfs/dbraw/zinc/81/19/34/394811934.db2.gz DUZXLDKJZNFOKJ-UWVGGRQHSA-N 2 1 299.802 2.003 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000422825455 394813564 /nfs/dbraw/zinc/81/35/64/394813564.db2.gz AKGDJGFBFYHUCZ-YXJHDRRASA-N 2 1 287.451 2.019 20 0 CEADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1Cl ZINC000414943191 394814308 /nfs/dbraw/zinc/81/43/08/394814308.db2.gz LRIPJWDLLHXKLR-MNOVXSKESA-N 2 1 283.803 2.302 20 0 CEADMP CC1([NH2+]Cc2cnc(-c3ccncc3)s2)CC[NH2+]CC1 ZINC000414944233 394815249 /nfs/dbraw/zinc/81/52/49/394815249.db2.gz PINRJNCSNIPODQ-UHFFFAOYSA-N 2 1 288.420 2.437 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000414944880 394815365 /nfs/dbraw/zinc/81/53/65/394815365.db2.gz QQEFNJOQGZULPZ-BLLLJJGKSA-N 2 1 288.370 2.099 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CC[NH2+]1 ZINC000414944651 394815377 /nfs/dbraw/zinc/81/53/77/394815377.db2.gz HGMGTSVDZHEJTE-HIFRSBDPSA-N 2 1 270.380 2.102 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414945796 394816538 /nfs/dbraw/zinc/81/65/38/394816538.db2.gz SDYQQIHEFGXLIH-KOLCDFICSA-N 2 1 284.306 2.096 20 0 CEADMP C[C@@H](C[NH3+])NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414948480 394817993 /nfs/dbraw/zinc/81/79/93/394817993.db2.gz XIKSZEWLQBEINK-AWEZNQCLSA-N 2 1 263.429 2.081 20 0 CEADMP COc1cc(C)c(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1OC ZINC000415052098 394865860 /nfs/dbraw/zinc/86/58/60/394865860.db2.gz HJAKKSYHSGLWQI-HNNXBMFYSA-N 2 1 280.412 2.475 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415088652 394885005 /nfs/dbraw/zinc/88/50/05/394885005.db2.gz WMXUWFQTJSUROU-STQMWFEESA-N 2 1 278.444 2.165 20 0 CEADMP Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422969962 394870142 /nfs/dbraw/zinc/87/01/42/394870142.db2.gz VKNFRPDCOVATPT-KWBADKCTSA-N 2 1 251.374 2.125 20 0 CEADMP CC[C@@H]1C[C@H](C[NH2+][C@H](C[NH3+])C2CCCC2)CCO1 ZINC000415064577 394871208 /nfs/dbraw/zinc/87/12/08/394871208.db2.gz LBJQMBGALNNRAB-BPLDGKMQSA-N 2 1 254.418 2.299 20 0 CEADMP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])c1ccco1 ZINC000422972195 394871629 /nfs/dbraw/zinc/87/16/29/394871629.db2.gz KTWDZBZIKVEWAO-SOUVJXGZSA-N 2 1 279.428 2.380 20 0 CEADMP CC(C)[NH+](CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000129677980 394871675 /nfs/dbraw/zinc/87/16/75/394871675.db2.gz OBNPVMBZZSQGRV-GJZGRUSLSA-N 2 1 255.450 2.178 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCCO1 ZINC000336789558 394872080 /nfs/dbraw/zinc/87/20/80/394872080.db2.gz JLMLLUGJWWHKGJ-KKUMJFAQSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]2[NH3+])n1 ZINC000422991623 394876419 /nfs/dbraw/zinc/87/64/19/394876419.db2.gz PWOWPOHZZNTJDS-HUUCEWRRSA-N 2 1 270.380 2.150 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422992742 394877453 /nfs/dbraw/zinc/87/74/53/394877453.db2.gz DJJYZYNLZVVDHY-JYJNAYRXSA-N 2 1 267.461 2.085 20 0 CEADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000336815983 394879476 /nfs/dbraw/zinc/87/94/76/394879476.db2.gz JZJFCSQHJZIDAD-HRCADAONSA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336815983 394879479 /nfs/dbraw/zinc/87/94/79/394879479.db2.gz JZJFCSQHJZIDAD-HRCADAONSA-N 2 1 268.445 2.246 20 0 CEADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361501638 394831117 /nfs/dbraw/zinc/83/11/17/394831117.db2.gz SFEGLATZWFFIJU-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C[N@H+]1C1CC1 ZINC000422858914 394833401 /nfs/dbraw/zinc/83/34/01/394833401.db2.gz GRDLWLSRWQZCCC-FCLUMBPUSA-N 2 1 271.408 2.346 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000414976613 394833695 /nfs/dbraw/zinc/83/36/95/394833695.db2.gz IMHDWMOJDVZCQX-SNVBAGLBSA-N 2 1 262.275 2.412 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414986115 394837624 /nfs/dbraw/zinc/83/76/24/394837624.db2.gz XFGHSBXXDHSCMK-HNNXBMFYSA-N 2 1 285.391 2.488 20 0 CEADMP CC(C)[C@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000124265682 394837785 /nfs/dbraw/zinc/83/77/85/394837785.db2.gz VGWHHTCEPKHDKP-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000422866651 394837847 /nfs/dbraw/zinc/83/78/47/394837847.db2.gz QPAJHGOHHDJBSQ-QXSJWSMHSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)N1CCC[C@@H](C)C1 ZINC000422866651 394837850 /nfs/dbraw/zinc/83/78/50/394837850.db2.gz QPAJHGOHHDJBSQ-QXSJWSMHSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000422868765 394840726 /nfs/dbraw/zinc/84/07/26/394840726.db2.gz VXIFWBLIPQXXCZ-RYRKJORJSA-N 2 1 289.467 2.266 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422875686 394843790 /nfs/dbraw/zinc/84/37/90/394843790.db2.gz FQNJAFZTDYJICV-CABCVRRESA-N 3 1 255.450 2.216 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000125741112 394844017 /nfs/dbraw/zinc/84/40/17/394844017.db2.gz OBGRWLSBNFBBIK-HRCADAONSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000125741112 394844019 /nfs/dbraw/zinc/84/40/19/394844019.db2.gz OBGRWLSBNFBBIK-HRCADAONSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000125741112 394844021 /nfs/dbraw/zinc/84/40/21/394844021.db2.gz OBGRWLSBNFBBIK-HRCADAONSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000125741112 394844023 /nfs/dbraw/zinc/84/40/23/394844023.db2.gz OBGRWLSBNFBBIK-HRCADAONSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000125741112 394844025 /nfs/dbraw/zinc/84/40/25/394844025.db2.gz OBGRWLSBNFBBIK-HRCADAONSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000125741112 394844028 /nfs/dbraw/zinc/84/40/28/394844028.db2.gz OBGRWLSBNFBBIK-HRCADAONSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000125741112 394844030 /nfs/dbraw/zinc/84/40/30/394844030.db2.gz OBGRWLSBNFBBIK-HRCADAONSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000125838831 394845304 /nfs/dbraw/zinc/84/53/04/394845304.db2.gz VFEWRSHMQKUZFW-JYJNAYRXSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000125838831 394845309 /nfs/dbraw/zinc/84/53/09/394845309.db2.gz VFEWRSHMQKUZFW-JYJNAYRXSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000125838831 394845312 /nfs/dbraw/zinc/84/53/12/394845312.db2.gz VFEWRSHMQKUZFW-JYJNAYRXSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000125838831 394845317 /nfs/dbraw/zinc/84/53/17/394845317.db2.gz VFEWRSHMQKUZFW-JYJNAYRXSA-N 3 1 267.461 2.037 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000125838831 394845318 /nfs/dbraw/zinc/84/53/18/394845318.db2.gz VFEWRSHMQKUZFW-JYJNAYRXSA-N 3 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000125838831 394845324 /nfs/dbraw/zinc/84/53/24/394845324.db2.gz VFEWRSHMQKUZFW-JYJNAYRXSA-N 3 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000125838831 394845325 /nfs/dbraw/zinc/84/53/25/394845325.db2.gz VFEWRSHMQKUZFW-JYJNAYRXSA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422879701 394846239 /nfs/dbraw/zinc/84/62/39/394846239.db2.gz KTLVQRAYDSJQBI-BZUAXINKSA-N 3 1 267.461 2.358 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000415007610 394846462 /nfs/dbraw/zinc/84/64/62/394846462.db2.gz LTSIIJLBNAMLMA-NXEZZACHSA-N 2 1 276.302 2.453 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000415008945 394847656 /nfs/dbraw/zinc/84/76/56/394847656.db2.gz NLQSTJGGIYHUOJ-UWVGGRQHSA-N 2 1 258.312 2.156 20 0 CEADMP CC[N@@H+](CCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])C(C)C ZINC000422882784 394848059 /nfs/dbraw/zinc/84/80/59/394848059.db2.gz TYPMHJCHDSADHV-WBVHZDCISA-N 2 1 277.456 2.265 20 0 CEADMP COc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1OC(F)F ZINC000415016107 394850238 /nfs/dbraw/zinc/85/02/38/394850238.db2.gz ZNTXHGKUGDZZIM-BDAKNGLRSA-N 2 1 274.311 2.122 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422897130 394854818 /nfs/dbraw/zinc/85/48/18/394854818.db2.gz JCDZIOKTEJKNCF-SWLSCSKDSA-N 2 1 262.372 2.445 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422913422 394860936 /nfs/dbraw/zinc/86/09/36/394860936.db2.gz QBOJABQYSLCBJJ-DLBZAZTESA-N 2 1 275.440 2.496 20 0 CEADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422913422 394860937 /nfs/dbraw/zinc/86/09/37/394860937.db2.gz QBOJABQYSLCBJJ-DLBZAZTESA-N 3 1 275.440 2.496 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422913422 394860939 /nfs/dbraw/zinc/86/09/39/394860939.db2.gz QBOJABQYSLCBJJ-DLBZAZTESA-N 3 1 275.440 2.496 20 0 CEADMP c1ccc(-c2cccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)c2)nc1 ZINC000415045168 394861899 /nfs/dbraw/zinc/86/18/99/394861899.db2.gz SSMCJXIPOXTUNL-QGZVFWFLSA-N 2 1 297.402 2.217 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423177973 394887254 /nfs/dbraw/zinc/88/72/54/394887254.db2.gz BJRZBWIYQUNPTL-YESZJQIVSA-N 2 1 273.424 2.164 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000423270301 394888966 /nfs/dbraw/zinc/88/89/66/394888966.db2.gz HQZBYZXAKMKXMK-KGLIPLIRSA-N 2 1 272.396 2.378 20 0 CEADMP C[C@@H]1C[C@@H](N(C)Cc2nc3ccccc3[nH]2)CC[N@H+]1C ZINC000130663665 394893466 /nfs/dbraw/zinc/89/34/66/394893466.db2.gz QKCMOUSNHALERF-OLZOCXBDSA-N 2 1 272.396 2.477 20 0 CEADMP CN(C)Cc1cc(C[NH2+]C2CCC(C[NH3+])CC2)ccc1F ZINC000415115753 394894692 /nfs/dbraw/zinc/89/46/92/394894692.db2.gz UQCZVZDEZRMKQD-UHFFFAOYSA-N 2 1 293.430 2.494 20 0 CEADMP CCc1ncc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)s1 ZINC000415125514 394898090 /nfs/dbraw/zinc/89/80/90/394898090.db2.gz LJBCBJFDWCKHMT-GHMZBOCLSA-N 2 1 253.415 2.122 20 0 CEADMP CCc1ncc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)s1 ZINC000415125514 394898094 /nfs/dbraw/zinc/89/80/94/394898094.db2.gz LJBCBJFDWCKHMT-GHMZBOCLSA-N 2 1 253.415 2.122 20 0 CEADMP COCCOc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000415131011 394899850 /nfs/dbraw/zinc/89/98/50/394899850.db2.gz RRNXOGLKSOIYPA-GDBMZVCRSA-N 2 1 292.423 2.129 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCSCc1ccccc1 ZINC000415131286 394900088 /nfs/dbraw/zinc/90/00/88/394900088.db2.gz YWSAMFUNRUTABS-UHFFFAOYSA-N 2 1 252.427 2.461 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000415133152 394900268 /nfs/dbraw/zinc/90/02/68/394900268.db2.gz MORFJAHNHVIPIO-UHFFFAOYSA-N 2 1 294.349 2.396 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000415133152 394900272 /nfs/dbraw/zinc/90/02/72/394900272.db2.gz MORFJAHNHVIPIO-UHFFFAOYSA-N 2 1 294.349 2.396 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1C[NH3+] ZINC000415138926 394902450 /nfs/dbraw/zinc/90/24/50/394902450.db2.gz ZJBIXRYSQCNXQQ-GOEBONIOSA-N 2 1 284.407 2.289 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423367654 394903885 /nfs/dbraw/zinc/90/38/85/394903885.db2.gz DNGHPERFIXZZAN-HOTGVXAUSA-N 2 1 295.471 2.275 20 0 CEADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(OC)c(OC)c1 ZINC000423369282 394904789 /nfs/dbraw/zinc/90/47/89/394904789.db2.gz OBDOUFAORZPGIO-CMPLNLGQSA-N 2 1 252.358 2.092 20 0 CEADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423373597 394906077 /nfs/dbraw/zinc/90/60/77/394906077.db2.gz HKUJQGXCRKUHEB-JFIYKMOQSA-N 2 1 289.467 2.485 20 0 CEADMP CC[NH2+][C@H](C)CN[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423391972 394911538 /nfs/dbraw/zinc/91/15/38/394911538.db2.gz XDOGZDPTLHKWNM-INMHGKMJSA-N 2 1 275.440 2.237 20 0 CEADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423393437 394912272 /nfs/dbraw/zinc/91/22/72/394912272.db2.gz REFZDKPXWLAMQI-HUUCEWRRSA-N 2 1 278.444 2.276 20 0 CEADMP Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)nc(C)[nH+]1 ZINC000364887106 394915447 /nfs/dbraw/zinc/91/54/47/394915447.db2.gz ZLQRUKMORJCZGO-ZNMIVQPWSA-N 2 1 272.396 2.014 20 0 CEADMP Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)nc(C)[nH+]1 ZINC000364887106 394915451 /nfs/dbraw/zinc/91/54/51/394915451.db2.gz ZLQRUKMORJCZGO-ZNMIVQPWSA-N 2 1 272.396 2.014 20 0 CEADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@]2(COC)CCC[NH2+]2)C1(C)C ZINC000423422859 394919296 /nfs/dbraw/zinc/91/92/96/394919296.db2.gz ZIERLIZYOVZLJE-UXLLHSPISA-N 2 1 298.471 2.328 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCCO2 ZINC000423431201 394920472 /nfs/dbraw/zinc/92/04/72/394920472.db2.gz LPBFWSHOGOVWAG-CTASWTNQSA-N 2 1 258.365 2.016 20 0 CEADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])CC2 ZINC000423456130 394924986 /nfs/dbraw/zinc/92/49/86/394924986.db2.gz DFRYKAQHKJHOCF-GIPNMCIBSA-N 2 1 264.369 2.016 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCCN1 ZINC000423461769 394926535 /nfs/dbraw/zinc/92/65/35/394926535.db2.gz CRILOCORIPEUNK-CBBWQLFWSA-N 2 1 253.434 2.014 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000423472318 394928028 /nfs/dbraw/zinc/92/80/28/394928028.db2.gz QCGHMVNUJKQLHB-YPMHNXCESA-N 2 1 264.369 2.236 20 0 CEADMP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000423484641 394931205 /nfs/dbraw/zinc/93/12/05/394931205.db2.gz AFAZRBSIIDHEBJ-HZPDHXFCSA-N 2 1 262.397 2.496 20 0 CEADMP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423486670 394932717 /nfs/dbraw/zinc/93/27/17/394932717.db2.gz BUZYHPFKMNMANG-GDBMZVCRSA-N 2 1 278.371 2.171 20 0 CEADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423492535 394934222 /nfs/dbraw/zinc/93/42/22/394934222.db2.gz NLSQKHWIMRASGM-DJSGYFEHSA-N 2 1 278.371 2.027 20 0 CEADMP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC000423499541 394936402 /nfs/dbraw/zinc/93/64/02/394936402.db2.gz BXUCAYYRFVDFIK-MWDXBVQZSA-N 2 1 274.408 2.147 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(OC)cc1 ZINC000423505966 394939674 /nfs/dbraw/zinc/93/96/74/394939674.db2.gz GVHUVBPYPLACDM-HZPDHXFCSA-N 2 1 278.396 2.114 20 0 CEADMP COC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C1CC1 ZINC000366430636 394945651 /nfs/dbraw/zinc/94/56/51/394945651.db2.gz JBKLKTNPCMJZOW-NRXISQOPSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@@H+]1CC[C@H](N[C@H]2C[NH+](C)Cc3ccccc32)[C@@H](C)C1 ZINC000366694971 394951886 /nfs/dbraw/zinc/95/18/86/394951886.db2.gz LMEJHWFGUFMIKF-WBAXXEDZSA-N 2 1 287.451 2.493 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@H]2C[NH+](C)Cc3ccccc32)[C@@H](C)C1 ZINC000366694971 394951890 /nfs/dbraw/zinc/95/18/90/394951890.db2.gz LMEJHWFGUFMIKF-WBAXXEDZSA-N 2 1 287.451 2.493 20 0 CEADMP CC[NH+]1CC[C@H](N[C@H]2C[N@H+](C)Cc3ccccc32)[C@@H](C)C1 ZINC000366694971 394951893 /nfs/dbraw/zinc/95/18/93/394951893.db2.gz LMEJHWFGUFMIKF-WBAXXEDZSA-N 2 1 287.451 2.493 20 0 CEADMP CC[NH+]1CC[C@H](N[C@H]2C[N@@H+](C)Cc3ccccc32)[C@@H](C)C1 ZINC000366694971 394951896 /nfs/dbraw/zinc/95/18/96/394951896.db2.gz LMEJHWFGUFMIKF-WBAXXEDZSA-N 2 1 287.451 2.493 20 0 CEADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371266795 395027047 /nfs/dbraw/zinc/02/70/47/395027047.db2.gz QSJXUPQPMCMGFP-GOSISDBHSA-N 2 1 287.451 2.146 20 0 CEADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000415957398 394986821 /nfs/dbraw/zinc/98/68/21/394986821.db2.gz PGYWCTLSDSWTSV-AWEZNQCLSA-N 2 1 290.411 2.012 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1coc(C[NH3+])c1 ZINC000423737342 394972364 /nfs/dbraw/zinc/97/23/64/394972364.db2.gz AFSOGOGZJFVQMZ-UHFFFAOYSA-N 2 1 293.411 2.075 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)CC1CC[NH2+]CC1 ZINC000423760571 394978498 /nfs/dbraw/zinc/97/84/98/394978498.db2.gz NOBWTDLTOOQDFA-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP C(CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)C[NH+]1CCCCC1 ZINC000372900380 395048403 /nfs/dbraw/zinc/04/84/03/395048403.db2.gz BXWBHLBTBQCYOX-SQNIBIBYSA-N 2 1 291.483 2.279 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158566158 395048680 /nfs/dbraw/zinc/04/86/80/395048680.db2.gz AAQLMPNDHXHGCZ-ZJIFWQFVSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158566158 395048685 /nfs/dbraw/zinc/04/86/85/395048685.db2.gz AAQLMPNDHXHGCZ-ZJIFWQFVSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158566158 395048691 /nfs/dbraw/zinc/04/86/91/395048691.db2.gz AAQLMPNDHXHGCZ-ZJIFWQFVSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158566158 395048694 /nfs/dbraw/zinc/04/86/94/395048694.db2.gz AAQLMPNDHXHGCZ-ZJIFWQFVSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1c[nH+]ccc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000373028944 395052597 /nfs/dbraw/zinc/05/25/97/395052597.db2.gz LKOVDJNDPBGYAQ-SQWLQELKSA-N 2 1 257.381 2.311 20 0 CEADMP CC1CC[NH+](CCCN[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000161775663 395065046 /nfs/dbraw/zinc/06/50/46/395065046.db2.gz ZBPJZLPCHKLACW-HOTGVXAUSA-N 2 1 267.461 2.038 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCOC[C@H]1CC(C)C ZINC000161878184 395066166 /nfs/dbraw/zinc/06/61/66/395066166.db2.gz MONCPPSYWCIPBO-OAHLLOKOSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOC[C@H]1CC(C)C ZINC000161878184 395066169 /nfs/dbraw/zinc/06/61/69/395066169.db2.gz MONCPPSYWCIPBO-OAHLLOKOSA-N 2 1 265.401 2.329 20 0 CEADMP CCC[C@@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1)[NH+](C)C ZINC000161820930 395066542 /nfs/dbraw/zinc/06/65/42/395066542.db2.gz ISKAIDZPUZXLFD-HOCLYGCPSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C(=O)OC)CC2)C1 ZINC000425945822 395071458 /nfs/dbraw/zinc/07/14/58/395071458.db2.gz SKXIRVGLCNLSBE-NFOMZHRRSA-N 2 1 282.428 2.040 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000345723482 395074173 /nfs/dbraw/zinc/07/41/73/395074173.db2.gz QJZVCBQKXBYUOL-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CC[C@@]1(CO)CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000426461706 395076637 /nfs/dbraw/zinc/07/66/37/395076637.db2.gz QYHKVFLAGVGPFP-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP CC[C@@]1(CO)CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000426461706 395076638 /nfs/dbraw/zinc/07/66/38/395076638.db2.gz QYHKVFLAGVGPFP-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP CC[C@@]1(CO)CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000426461706 395076639 /nfs/dbraw/zinc/07/66/39/395076639.db2.gz QYHKVFLAGVGPFP-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2C2CC2)CC1 ZINC000374290350 395079394 /nfs/dbraw/zinc/07/93/94/395079394.db2.gz BEGASMFHUFTLLK-KRWDZBQOSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@@H]1CC[N@@H+](CCN2CCCCC2)C[C@@H]1n1ccnc1 ZINC000163287258 395083368 /nfs/dbraw/zinc/08/33/68/395083368.db2.gz MDRGWTSTEIPBHF-CVEARBPZSA-N 2 1 276.428 2.252 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000165116504 395085986 /nfs/dbraw/zinc/08/59/86/395085986.db2.gz LWWLRMNPRIKAKI-OAHLLOKOSA-N 2 1 295.471 2.134 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000289791534 395087421 /nfs/dbraw/zinc/08/74/21/395087421.db2.gz NGNZEWYKBCOUOU-DDBAPUKQSA-N 2 1 288.435 2.225 20 0 CEADMP C([C@@H]1CCCO1)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000346992370 395116458 /nfs/dbraw/zinc/11/64/58/395116458.db2.gz AWBWSHHYCLICFL-ZBFHGGJFSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000347058442 395117777 /nfs/dbraw/zinc/11/77/77/395117777.db2.gz WNUQCFFQVAWBPB-VXGBXAGGSA-N 2 1 264.417 2.266 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000494565205 395122338 /nfs/dbraw/zinc/12/23/38/395122338.db2.gz MNLQVBIJPQQSLV-UONOGXRCSA-N 2 1 251.349 2.183 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428034313 395133400 /nfs/dbraw/zinc/13/34/00/395133400.db2.gz NYSPJGPQPHJLIF-RDJZCZTQSA-N 2 1 274.408 2.312 20 0 CEADMP CCc1nccn1[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346848576 395110903 /nfs/dbraw/zinc/11/09/03/395110903.db2.gz FGNHIJJKVLVMHU-HUUCEWRRSA-N 2 1 276.428 2.082 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417915758 395160000 /nfs/dbraw/zinc/16/00/00/395160000.db2.gz VAVCYMXIPZVDCR-KGLIPLIRSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]1COCC[NH+](CCCCC[N@@H+]2CCOC[C@H](C)C2)C1 ZINC000378284132 395153722 /nfs/dbraw/zinc/15/37/22/395153722.db2.gz FDBHYEDQKHAFMC-IAGOWNOFSA-N 2 1 298.471 2.093 20 0 CEADMP CCOC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000378356995 395154913 /nfs/dbraw/zinc/15/49/13/395154913.db2.gz UYHODPQPPUEMEO-KBPBESRZSA-N 2 1 294.439 2.134 20 0 CEADMP CSCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179167704 395181220 /nfs/dbraw/zinc/18/12/20/395181220.db2.gz CNDAMIBQQKHLKZ-TZMCWYRMSA-N 2 1 254.443 2.298 20 0 CEADMP CO[C@H](C)c1nc(C[NH+]2CCC(C[NH3+])CC2)cs1 ZINC000430650085 395166749 /nfs/dbraw/zinc/16/67/49/395166749.db2.gz JUFRUYIQXWMWEJ-SNVBAGLBSA-N 2 1 269.414 2.021 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000381017653 395171560 /nfs/dbraw/zinc/17/15/60/395171560.db2.gz LDLSVVLYASOBIY-NUEKZKHPSA-N 2 1 262.397 2.433 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C1CC1)C1CCC(C)CC1 ZINC000519832370 395226695 /nfs/dbraw/zinc/22/66/95/395226695.db2.gz JZGBHRKMSBAPJY-ZBCRRDGASA-N 2 1 268.445 2.342 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C1CC1)C1CCC(C)CC1 ZINC000519832370 395226699 /nfs/dbraw/zinc/22/66/99/395226699.db2.gz JZGBHRKMSBAPJY-ZBCRRDGASA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000519832370 395226704 /nfs/dbraw/zinc/22/67/04/395226704.db2.gz JZGBHRKMSBAPJY-ZBCRRDGASA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000519832370 395226705 /nfs/dbraw/zinc/22/67/05/395226705.db2.gz JZGBHRKMSBAPJY-ZBCRRDGASA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cocn2)CC1 ZINC000520321559 395245866 /nfs/dbraw/zinc/24/58/66/395245866.db2.gz AGVMENAVXCWTEV-UHFFFAOYSA-N 2 1 251.374 2.227 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cocn2)CC1 ZINC000520321559 395245867 /nfs/dbraw/zinc/24/58/67/395245867.db2.gz AGVMENAVXCWTEV-UHFFFAOYSA-N 2 1 251.374 2.227 20 0 CEADMP Cc1ccc(CC[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000182966754 395249470 /nfs/dbraw/zinc/24/94/70/395249470.db2.gz RJOLERCJLDVNIL-UHFFFAOYSA-N 2 1 289.467 2.107 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@H]1CC[NH2+]C1 ZINC000382766726 395183684 /nfs/dbraw/zinc/18/36/84/395183684.db2.gz WATQYHJYBJGIEI-AEFFLSMTSA-N 2 1 287.451 2.192 20 0 CEADMP CC(C)[NH2+]C1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000182890833 395250405 /nfs/dbraw/zinc/25/04/05/395250405.db2.gz AOQGWDDAJFFQOC-DLBZAZTESA-N 2 1 274.408 2.107 20 0 CEADMP CO[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)CC(C)C ZINC000418102538 395192739 /nfs/dbraw/zinc/19/27/39/395192739.db2.gz RUILLDPXZRYEHH-AWEZNQCLSA-N 2 1 265.401 2.298 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000418204576 395193770 /nfs/dbraw/zinc/19/37/70/395193770.db2.gz XRZLRKUHUXZUJH-SOUVJXGZSA-N 2 1 298.475 2.018 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)[C@@H](C)C1 ZINC000433060648 395195049 /nfs/dbraw/zinc/19/50/49/395195049.db2.gz ZQECQYVBYCYQEV-GJZGRUSLSA-N 2 1 280.456 2.249 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000434193314 395280954 /nfs/dbraw/zinc/28/09/54/395280954.db2.gz IOFUQMDOYPUXIE-GDBMZVCRSA-N 2 1 268.445 2.323 20 0 CEADMP C[C@H](CC1CCOCC1)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000434193314 395280957 /nfs/dbraw/zinc/28/09/57/395280957.db2.gz IOFUQMDOYPUXIE-GDBMZVCRSA-N 2 1 268.445 2.323 20 0 CEADMP C[C@H](CC1CCOCC1)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000434193314 395280961 /nfs/dbraw/zinc/28/09/61/395280961.db2.gz IOFUQMDOYPUXIE-GDBMZVCRSA-N 2 1 268.445 2.323 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323593 395326113 /nfs/dbraw/zinc/32/61/13/395326113.db2.gz GFQZCFPQGSHUMM-CVEARBPZSA-N 3 1 267.461 2.040 20 0 CEADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353613855 395303148 /nfs/dbraw/zinc/30/31/48/395303148.db2.gz QFGQHSXQBJTFTJ-FPCVCCKLSA-N 2 1 280.456 2.246 20 0 CEADMP C[C@@H]1CCC[C@@H]([N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420298442 395304537 /nfs/dbraw/zinc/30/45/37/395304537.db2.gz FHKXNAWKLAKIFJ-BGTYHANMSA-N 2 1 290.451 2.428 20 0 CEADMP C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420298442 395304541 /nfs/dbraw/zinc/30/45/41/395304541.db2.gz FHKXNAWKLAKIFJ-BGTYHANMSA-N 2 1 290.451 2.428 20 0 CEADMP COc1ccccc1[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420299632 395305338 /nfs/dbraw/zinc/30/53/38/395305338.db2.gz JCQTVHOFGHDQJJ-LSDHHAIUSA-N 2 1 274.408 2.484 20 0 CEADMP c1cc([C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cs1 ZINC000420299827 395305867 /nfs/dbraw/zinc/30/58/67/395305867.db2.gz JMCSCCHTHYKIAU-JSGCOSHPSA-N 2 1 266.410 2.121 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2COc3ccc(OC)cc3C2)CC1 ZINC000296086713 395307334 /nfs/dbraw/zinc/30/73/34/395307334.db2.gz SXGUNMFJAOFYQB-OAHLLOKOSA-N 2 1 290.407 2.073 20 0 CEADMP C[C@@H]([NH3+])C[N@@H+](C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000420303053 395308241 /nfs/dbraw/zinc/30/82/41/395308241.db2.gz MZMFQGHKOUNFHZ-JYVUQVBGSA-N 2 1 254.418 2.393 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC000353906259 395311126 /nfs/dbraw/zinc/31/11/26/395311126.db2.gz FFGLUAGLNHYSTC-MRXNPFEDSA-N 2 1 297.487 2.343 20 0 CEADMP c1ccc(CC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H]2CCOC2)cc1 ZINC000420305922 395311111 /nfs/dbraw/zinc/31/11/11/395311111.db2.gz QDPJQVPZJGTXNK-ROUUACIJSA-N 2 1 288.435 2.320 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000354006557 395312680 /nfs/dbraw/zinc/31/26/80/395312680.db2.gz TWVLMVKVUKXWNB-MRXNPFEDSA-N 2 1 297.487 2.441 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H](CC)CN1C(C)=O ZINC000420310556 395315407 /nfs/dbraw/zinc/31/54/07/395315407.db2.gz VDUYWBLVKXKLKK-BRWVUGGUSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000420325503 395327630 /nfs/dbraw/zinc/32/76/30/395327630.db2.gz WQFONBIUUGESTP-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000420325503 395327632 /nfs/dbraw/zinc/32/76/32/395327632.db2.gz WQFONBIUUGESTP-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000352526375 395261272 /nfs/dbraw/zinc/26/12/72/395261272.db2.gz MZUORRBFPGRITO-OAGGEKHMSA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+]C[C@@H]([NH2+]CC[C@H]1CCCCO1)C1CCCCC1 ZINC000420371371 395357197 /nfs/dbraw/zinc/35/71/97/395357197.db2.gz PJKYRXLKPIAFIN-HUUCEWRRSA-N 2 1 254.418 2.443 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000412418336 395358786 /nfs/dbraw/zinc/35/87/86/395358786.db2.gz LWNLRCFPQUVDKT-CABCVRRESA-N 2 1 283.460 2.001 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420379282 395363931 /nfs/dbraw/zinc/36/39/31/395363931.db2.gz MZEQKTMPEGOLAV-YHUYYLMFSA-N 2 1 295.471 2.083 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420379282 395363933 /nfs/dbraw/zinc/36/39/33/395363933.db2.gz MZEQKTMPEGOLAV-YHUYYLMFSA-N 2 1 295.471 2.083 20 0 CEADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)nn1 ZINC000420380821 395365275 /nfs/dbraw/zinc/36/52/75/395365275.db2.gz OHXZUVCUBYRTSA-KRWDZBQOSA-N 2 1 299.422 2.007 20 0 CEADMP CCCCN(CC)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420379965 395365343 /nfs/dbraw/zinc/36/53/43/395365343.db2.gz BXEPKUPLMKKCMW-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCN(CC)C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420379965 395365350 /nfs/dbraw/zinc/36/53/50/395365350.db2.gz BXEPKUPLMKKCMW-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420381208 395365819 /nfs/dbraw/zinc/36/58/19/395365819.db2.gz CKLFPUDIQIQWTD-ZIAGYGMSSA-N 2 1 279.453 2.458 20 0 CEADMP CCCCN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420379967 395365840 /nfs/dbraw/zinc/36/58/40/395365840.db2.gz BXEPKUPLMKKCMW-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCN(CC)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420379967 395365845 /nfs/dbraw/zinc/36/58/45/395365845.db2.gz BXEPKUPLMKKCMW-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420382527 395366459 /nfs/dbraw/zinc/36/64/59/395366459.db2.gz PXMHJLCMTWPWEW-GJZGRUSLSA-N 2 1 292.423 2.381 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)o1 ZINC000435373103 395367341 /nfs/dbraw/zinc/36/73/41/395367341.db2.gz LXZWXJKIMDBXRR-CMPLNLGQSA-N 2 1 274.368 2.147 20 0 CEADMP C[NH2+]CCCN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000420383363 395367531 /nfs/dbraw/zinc/36/75/31/395367531.db2.gz ZKKYBHSHVTVENP-CYBMUJFWSA-N 2 1 267.442 2.036 20 0 CEADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420395480 395369860 /nfs/dbraw/zinc/36/98/60/395369860.db2.gz DKSSUAXYVBZZJD-RBSFLKMASA-N 2 1 295.471 2.083 20 0 CEADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420395480 395369869 /nfs/dbraw/zinc/36/98/69/395369869.db2.gz DKSSUAXYVBZZJD-RBSFLKMASA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1CC[N@@H+](CCN(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420404578 395372108 /nfs/dbraw/zinc/37/21/08/395372108.db2.gz MFMJUWJMRSAVTJ-CABCVRRESA-N 2 1 261.413 2.040 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C(C)C ZINC000420408306 395373902 /nfs/dbraw/zinc/37/39/02/395373902.db2.gz WBNHGUZNTGQNSR-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C(C)C ZINC000420408306 395373905 /nfs/dbraw/zinc/37/39/05/395373905.db2.gz WBNHGUZNTGQNSR-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000420416213 395375712 /nfs/dbraw/zinc/37/57/12/395375712.db2.gz VKMFKLQSYMQQPD-CHWSQXEVSA-N 2 1 293.386 2.071 20 0 CEADMP Cc1[nH]nc2ncc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc12 ZINC000355233082 395376425 /nfs/dbraw/zinc/37/64/25/395376425.db2.gz DKLPGIXPGXYBTA-ZBFHGGJFSA-N 2 1 299.422 2.182 20 0 CEADMP Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)n1 ZINC000441261615 395383175 /nfs/dbraw/zinc/38/31/75/395383175.db2.gz UTDVMKIWWYNGBJ-YESZJQIVSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)n1 ZINC000441261615 395383181 /nfs/dbraw/zinc/38/31/81/395383181.db2.gz UTDVMKIWWYNGBJ-YESZJQIVSA-N 2 1 289.423 2.074 20 0 CEADMP C[NH2+]CCC[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000435886451 395393882 /nfs/dbraw/zinc/39/38/82/395393882.db2.gz XKICSJOFZXFFID-KRWDZBQOSA-N 2 1 292.423 2.286 20 0 CEADMP C[NH2+]CCC[N@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000435886451 395393886 /nfs/dbraw/zinc/39/38/86/395393886.db2.gz XKICSJOFZXFFID-KRWDZBQOSA-N 2 1 292.423 2.286 20 0 CEADMP C[NH2+]CCCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000435883751 395393983 /nfs/dbraw/zinc/39/39/83/395393983.db2.gz MSJJOJOWIBIONL-HOTGVXAUSA-N 2 1 267.461 2.182 20 0 CEADMP CC[N@@H+](CCN1CC[NH2+]CC1)[C@H](C)c1ccc(F)cc1 ZINC000420328396 395329063 /nfs/dbraw/zinc/32/90/63/395329063.db2.gz ZHYPSBQJZYZGCB-CQSZACIVSA-N 2 1 279.403 2.114 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420330322 395330711 /nfs/dbraw/zinc/33/07/11/395330711.db2.gz AYZGSDLUECEVKQ-MRXNPFEDSA-N 3 1 276.428 2.046 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccsc2)CC12CCOCC2 ZINC000420334411 395333476 /nfs/dbraw/zinc/33/34/76/395333476.db2.gz UKJOWKIWBQGFPW-OAHLLOKOSA-N 2 1 294.464 2.368 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440613949 395336108 /nfs/dbraw/zinc/33/61/08/395336108.db2.gz PGRMTYNVVLPHSQ-JTQLQIEISA-N 2 1 290.333 2.250 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440613949 395336113 /nfs/dbraw/zinc/33/61/13/395336113.db2.gz PGRMTYNVVLPHSQ-JTQLQIEISA-N 2 1 290.333 2.250 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1 ZINC000420362813 395349470 /nfs/dbraw/zinc/34/94/70/395349470.db2.gz IWDKMPVUDXKNRL-WOSRLPQWSA-N 2 1 262.397 2.214 20 0 CEADMP CCC[C@@]1(CO)CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000444766812 395453793 /nfs/dbraw/zinc/45/37/93/395453793.db2.gz NJPNNABXGQTSFB-HNNXBMFYSA-N 2 1 265.401 2.209 20 0 CEADMP CCC[C@@]1(CO)CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000444766812 395453794 /nfs/dbraw/zinc/45/37/94/395453794.db2.gz NJPNNABXGQTSFB-HNNXBMFYSA-N 2 1 265.401 2.209 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000420919901 395435030 /nfs/dbraw/zinc/43/50/30/395435030.db2.gz IULKOVZRMDHNSM-OWLYRPNTSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000420919901 395435032 /nfs/dbraw/zinc/43/50/32/395435032.db2.gz IULKOVZRMDHNSM-OWLYRPNTSA-N 2 1 288.435 2.258 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000444624699 395441894 /nfs/dbraw/zinc/44/18/94/395441894.db2.gz XQILPEGDTUFKNC-AWEZNQCLSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000448021634 395507006 /nfs/dbraw/zinc/50/70/06/395507006.db2.gz JSJATGCUEBGWLB-KFWWJZLASA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448021634 395507008 /nfs/dbraw/zinc/50/70/08/395507008.db2.gz JSJATGCUEBGWLB-KFWWJZLASA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448021634 395507010 /nfs/dbraw/zinc/50/70/10/395507010.db2.gz JSJATGCUEBGWLB-KFWWJZLASA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000448021634 395507013 /nfs/dbraw/zinc/50/70/13/395507013.db2.gz JSJATGCUEBGWLB-KFWWJZLASA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000448021634 395507014 /nfs/dbraw/zinc/50/70/14/395507014.db2.gz JSJATGCUEBGWLB-KFWWJZLASA-N 2 1 267.461 2.037 20 0 CEADMP CC[C@@H]1[C@H](CO)CC[N@H+]1CCCCn1ccnc1C ZINC000448549452 395514637 /nfs/dbraw/zinc/51/46/37/395514637.db2.gz WLBWVJYVERODNQ-LSDHHAIUSA-N 2 1 265.401 2.065 20 0 CEADMP CC[C@@H]1[C@H](CO)CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000448549452 395514638 /nfs/dbraw/zinc/51/46/38/395514638.db2.gz WLBWVJYVERODNQ-LSDHHAIUSA-N 2 1 265.401 2.065 20 0 CEADMP CC[C@@H]1[C@H](CO)CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000448549452 395514640 /nfs/dbraw/zinc/51/46/40/395514640.db2.gz WLBWVJYVERODNQ-LSDHHAIUSA-N 2 1 265.401 2.065 20 0 CEADMP COCC[NH2+]C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000566351223 395515025 /nfs/dbraw/zinc/51/50/25/395515025.db2.gz SHCOQZUBAKGEGT-UHFFFAOYSA-N 2 1 292.423 2.156 20 0 CEADMP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)CCCC1 ZINC000565533834 395475203 /nfs/dbraw/zinc/47/52/03/395475203.db2.gz KCCPXLUSAOSTMS-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000565870947 395488076 /nfs/dbraw/zinc/48/80/76/395488076.db2.gz RHHDNMKWVQPSHB-BZUAXINKSA-N 2 1 289.423 2.367 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC[NH+]2CCCC(C)(C)C2)[C@H](C)C1 ZINC000446849601 395500766 /nfs/dbraw/zinc/50/07/66/395500766.db2.gz ZSLQFUFENVJIAN-HZPDHXFCSA-N 2 1 281.488 2.428 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@@H+]2CCCC(C)(C)C2)[C@H](C)C1 ZINC000446849601 395500767 /nfs/dbraw/zinc/50/07/67/395500767.db2.gz ZSLQFUFENVJIAN-HZPDHXFCSA-N 2 1 281.488 2.428 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@H+]2CCCC(C)(C)C2)[C@H](C)C1 ZINC000446849601 395500768 /nfs/dbraw/zinc/50/07/68/395500768.db2.gz ZSLQFUFENVJIAN-HZPDHXFCSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CCN2CCCC(C)(C)C2)[C@H](C)C1 ZINC000446849601 395500769 /nfs/dbraw/zinc/50/07/69/395500769.db2.gz ZSLQFUFENVJIAN-HZPDHXFCSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCN2CCCC(C)(C)C2)[C@H](C)C1 ZINC000446849601 395500770 /nfs/dbraw/zinc/50/07/70/395500770.db2.gz ZSLQFUFENVJIAN-HZPDHXFCSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000446849600 395500794 /nfs/dbraw/zinc/50/07/94/395500794.db2.gz ZSLQFUFENVJIAN-HOTGVXAUSA-N 2 1 281.488 2.428 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@@H+]2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000446849600 395500795 /nfs/dbraw/zinc/50/07/95/395500795.db2.gz ZSLQFUFENVJIAN-HOTGVXAUSA-N 2 1 281.488 2.428 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@H+]2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000446849600 395500796 /nfs/dbraw/zinc/50/07/96/395500796.db2.gz ZSLQFUFENVJIAN-HOTGVXAUSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CCN2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000446849600 395500797 /nfs/dbraw/zinc/50/07/97/395500797.db2.gz ZSLQFUFENVJIAN-HOTGVXAUSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCN2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000446849600 395500798 /nfs/dbraw/zinc/50/07/98/395500798.db2.gz ZSLQFUFENVJIAN-HOTGVXAUSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000446890773 395501274 /nfs/dbraw/zinc/50/12/74/395501274.db2.gz PDKUTGNORBIUFW-RHSMWYFYSA-N 3 1 279.472 2.181 20 0 CEADMP CCN1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000446890773 395501275 /nfs/dbraw/zinc/50/12/75/395501275.db2.gz PDKUTGNORBIUFW-RHSMWYFYSA-N 2 1 279.472 2.181 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1sccc1C[NH+](C)C ZINC000446963920 395503313 /nfs/dbraw/zinc/50/33/13/395503313.db2.gz DSGAARRKERVTPD-GFCCVEGCSA-N 2 1 297.468 2.270 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451220349 395595213 /nfs/dbraw/zinc/59/52/13/395595213.db2.gz VLOUYDRYAGWBLS-OAHLLOKOSA-N 2 1 297.487 2.332 20 0 CEADMP C[C@@H]([NH2+]CCCC(=O)N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000572971323 395596762 /nfs/dbraw/zinc/59/67/62/395596762.db2.gz ASQIWIUJHAFPCJ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccc2c(C)cc(N3CCCO[C@H](C[NH3+])C3)[nH+]c2c1 ZINC000569095830 395573341 /nfs/dbraw/zinc/57/33/41/395573341.db2.gz ADHCHGHQPIMETA-CQSZACIVSA-N 2 1 285.391 2.406 20 0 CEADMP CO[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)CC1(C)C ZINC000451564699 395623166 /nfs/dbraw/zinc/62/31/66/395623166.db2.gz MGUZZURMHFNTSE-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000451564699 395623168 /nfs/dbraw/zinc/62/31/68/395623168.db2.gz MGUZZURMHFNTSE-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000451564699 395623169 /nfs/dbraw/zinc/62/31/69/395623169.db2.gz MGUZZURMHFNTSE-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C1 ZINC000574005644 395623806 /nfs/dbraw/zinc/62/38/06/395623806.db2.gz WPVWWRVMMDBAJY-RDBSUJKOSA-N 2 1 299.422 2.317 20 0 CEADMP C(C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1)[C@@H]1CCC[NH2+]C1 ZINC000574790996 395637631 /nfs/dbraw/zinc/63/76/31/395637631.db2.gz NWXJFDLBUOTCLL-JSGCOSHPSA-N 2 1 290.411 2.126 20 0 CEADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458267082 395640525 /nfs/dbraw/zinc/64/05/25/395640525.db2.gz DZHATLIFNDHINX-UHFFFAOYSA-N 2 1 277.412 2.337 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000574981276 395642711 /nfs/dbraw/zinc/64/27/11/395642711.db2.gz PFGVTMAUUBAUHW-LHUBUQBQSA-N 2 1 274.408 2.322 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000574981278 395642782 /nfs/dbraw/zinc/64/27/82/395642782.db2.gz PFGVTMAUUBAUHW-MFNRNEDNSA-N 2 1 274.408 2.322 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCC[NH3+])C1 ZINC000574986276 395642995 /nfs/dbraw/zinc/64/29/95/395642995.db2.gz ALMPCVUKGZXLIY-CQSZACIVSA-N 2 1 283.460 2.132 20 0 CEADMP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CO2 ZINC000493907883 395677852 /nfs/dbraw/zinc/67/78/52/395677852.db2.gz PXUSFJPQQVHDNP-GDBMZVCRSA-N 2 1 286.419 2.454 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC[N@@H+]1C ZINC000493917184 395678000 /nfs/dbraw/zinc/67/80/00/395678000.db2.gz PNGSZUSZRGFESI-DGXTUMSLSA-N 2 1 278.440 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC[N@H+]1C ZINC000493917184 395678001 /nfs/dbraw/zinc/67/80/01/395678001.db2.gz PNGSZUSZRGFESI-DGXTUMSLSA-N 2 1 278.440 2.406 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000647509896 395723971 /nfs/dbraw/zinc/72/39/71/395723971.db2.gz ORPCXDBVCGFYDJ-TZMCWYRMSA-N 2 1 255.365 2.404 20 0 CEADMP CC[C@H](C[N@@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000647492815 395721115 /nfs/dbraw/zinc/72/11/15/395721115.db2.gz BEFMRZVNCOVFDR-MRXNPFEDSA-N 2 1 275.440 2.017 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc3c(c2)ncn3C)CC[C@H]1[NH3+] ZINC000647498198 395722399 /nfs/dbraw/zinc/72/23/99/395722399.db2.gz CMVAHEGIHWXDSV-ZIAGYGMSSA-N 2 1 272.396 2.133 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cn(C)nc2-c2cccnc2)CC[C@@H]1[NH3+] ZINC000647498988 395722795 /nfs/dbraw/zinc/72/27/95/395722795.db2.gz WJLVSAPHXOSGFA-BBRMVZONSA-N 2 1 299.422 2.041 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc2cnccc2c1 ZINC000647508672 395723527 /nfs/dbraw/zinc/72/35/27/395723527.db2.gz XLXZQHSEJXQYTG-OCCSQVGLSA-N 2 1 255.365 2.404 20 0 CEADMP COC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000336783916 292055968 /nfs/dbraw/zinc/05/59/68/292055968.db2.gz JGEJKTKMQHIIRK-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP COC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000336783916 292055969 /nfs/dbraw/zinc/05/59/69/292055969.db2.gz JGEJKTKMQHIIRK-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP COC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000336783916 292055970 /nfs/dbraw/zinc/05/59/70/292055970.db2.gz JGEJKTKMQHIIRK-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC[NH2+]1 ZINC000647542705 395730791 /nfs/dbraw/zinc/73/07/91/395730791.db2.gz AFNDCXANAMNEDL-NCOADZHNSA-N 3 1 279.472 2.086 20 0 CEADMP c1cc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)ccc2cn1 ZINC000647542281 395730858 /nfs/dbraw/zinc/73/08/58/395730858.db2.gz CWGVWMBXRRZXFE-SJORKVTESA-N 2 1 267.376 2.419 20 0 CEADMP c1cc2cc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)ccc2cn1 ZINC000647542281 395730859 /nfs/dbraw/zinc/73/08/59/395730859.db2.gz CWGVWMBXRRZXFE-SJORKVTESA-N 2 1 267.376 2.419 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC[NH2+]1 ZINC000647542707 395730999 /nfs/dbraw/zinc/73/09/99/395730999.db2.gz AFNDCXANAMNEDL-VQHPVUNQSA-N 3 1 279.472 2.086 20 0 CEADMP c1cc2cnccc2c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000647542427 395731023 /nfs/dbraw/zinc/73/10/23/395731023.db2.gz HKFVMUQWDBILTL-NVXWUHKLSA-N 2 1 267.376 2.419 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542838 395731157 /nfs/dbraw/zinc/73/11/57/395731157.db2.gz CPGAJKZTPFOYCF-HOTGVXAUSA-N 2 1 290.455 2.249 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C(C)(C)C ZINC000647545493 395731609 /nfs/dbraw/zinc/73/16/09/395731609.db2.gz YAUVFHOAWTTXDZ-KBPBESRZSA-N 2 1 268.445 2.356 20 0 CEADMP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647551810 395733958 /nfs/dbraw/zinc/73/39/58/395733958.db2.gz NRWXGBPGIUMABF-DZKIICNBSA-N 2 1 261.413 2.380 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC[C@H]1[NH3+] ZINC000647938669 395780410 /nfs/dbraw/zinc/78/04/10/395780410.db2.gz RIKMOJNRRLENRC-RBSFLKMASA-N 2 1 283.460 2.080 20 0 CEADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC[C@H]1[NH3+] ZINC000647938669 395780412 /nfs/dbraw/zinc/78/04/12/395780412.db2.gz RIKMOJNRRLENRC-RBSFLKMASA-N 2 1 283.460 2.080 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000647965981 395788898 /nfs/dbraw/zinc/78/88/98/395788898.db2.gz ZGOBJDHGRQMPRB-JYJNAYRXSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000647965981 395788900 /nfs/dbraw/zinc/78/89/00/395788900.db2.gz ZGOBJDHGRQMPRB-JYJNAYRXSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000647965981 395788903 /nfs/dbraw/zinc/78/89/03/395788903.db2.gz ZGOBJDHGRQMPRB-JYJNAYRXSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[C@H](NC(=O)[C@H](C)[N@H+](C)CCC[NH3+])c1ccccc1 ZINC000647849225 395763603 /nfs/dbraw/zinc/76/36/03/395763603.db2.gz LYFRSBSYCUKQMM-HOCLYGCPSA-N 2 1 291.439 2.313 20 0 CEADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+])c1ccccc1 ZINC000647849225 395763606 /nfs/dbraw/zinc/76/36/06/395763606.db2.gz LYFRSBSYCUKQMM-HOCLYGCPSA-N 2 1 291.439 2.313 20 0 CEADMP CCC[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+])c1ccccc1 ZINC000647849223 395763631 /nfs/dbraw/zinc/76/36/31/395763631.db2.gz LYFRSBSYCUKQMM-GDBMZVCRSA-N 2 1 291.439 2.313 20 0 CEADMP CCC[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+])c1ccccc1 ZINC000647849223 395763632 /nfs/dbraw/zinc/76/36/32/395763632.db2.gz LYFRSBSYCUKQMM-GDBMZVCRSA-N 2 1 291.439 2.313 20 0 CEADMP C(CC1CC[NH2+]CC1)CN1CCC([NH2+]CC2CC2)CC1 ZINC000647851295 395763969 /nfs/dbraw/zinc/76/39/69/395763969.db2.gz YDJLTXNQMZUPJV-UHFFFAOYSA-N 2 1 279.472 2.230 20 0 CEADMP COc1ccc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1OC ZINC000647874361 395766822 /nfs/dbraw/zinc/76/68/22/395766822.db2.gz NKYBJSGLOKEHCI-DZGCQCFKSA-N 2 1 290.407 2.450 20 0 CEADMP CCCNC(=O)C[N@@H+](CCC)CCCC1CC[NH2+]CC1 ZINC000647881123 395768051 /nfs/dbraw/zinc/76/80/51/395768051.db2.gz CMNVMEYRPHPOFL-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP CCC[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000647883523 395768931 /nfs/dbraw/zinc/76/89/31/395768931.db2.gz ZLSUIJCZTGTYSF-CABCVRRESA-N 2 1 289.423 2.335 20 0 CEADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000647883523 395768932 /nfs/dbraw/zinc/76/89/32/395768932.db2.gz ZLSUIJCZTGTYSF-CABCVRRESA-N 2 1 289.423 2.335 20 0 CEADMP COc1ccccc1[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647886648 395769449 /nfs/dbraw/zinc/76/94/49/395769449.db2.gz FPNRBIZPXMKMIZ-KBPBESRZSA-N 2 1 260.381 2.094 20 0 CEADMP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H](C(F)(F)F)O1 ZINC000647889389 395769821 /nfs/dbraw/zinc/76/98/21/395769821.db2.gz MAAWQCVPABIUND-CMPLNLGQSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H](C(F)(F)F)O1 ZINC000647889389 395769823 /nfs/dbraw/zinc/76/98/23/395769823.db2.gz MAAWQCVPABIUND-CMPLNLGQSA-N 2 1 280.334 2.028 20 0 CEADMP CC[N@H+]1CC[C@H](CNCc2nc3ccccc3nc2C)C1 ZINC000647925073 395775937 /nfs/dbraw/zinc/77/59/37/395775937.db2.gz JUJDOZMFZDGVSG-CQSZACIVSA-N 2 1 284.407 2.370 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2nc3ccccc3nc2C)C1 ZINC000647925073 395775939 /nfs/dbraw/zinc/77/59/39/395775939.db2.gz JUJDOZMFZDGVSG-CQSZACIVSA-N 2 1 284.407 2.370 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2nc3ccccc3nc2C)C1 ZINC000647925073 395775942 /nfs/dbraw/zinc/77/59/42/395775942.db2.gz JUJDOZMFZDGVSG-CQSZACIVSA-N 2 1 284.407 2.370 20 0 CEADMP Cc1nc(C)c(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000647925895 395776492 /nfs/dbraw/zinc/77/64/92/395776492.db2.gz DFPCZCVGYQTTPO-BETUJISGSA-N 2 1 295.427 2.270 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)CCCC[NH3+] ZINC000648139951 395844143 /nfs/dbraw/zinc/84/41/43/395844143.db2.gz TXOAOHAZMONBLP-CHWSQXEVSA-N 2 1 280.416 2.030 20 0 CEADMP CCCCCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977363 395793302 /nfs/dbraw/zinc/79/33/02/395793302.db2.gz ADTQHWNQZFCRMO-HZPDHXFCSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@H](c1cnccn1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977817 395794058 /nfs/dbraw/zinc/79/40/58/395794058.db2.gz ICGBLLDCVIZXON-RBSFLKMASA-N 2 1 274.412 2.249 20 0 CEADMP CCOCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978442 395794086 /nfs/dbraw/zinc/79/40/86/395794086.db2.gz RUWBVSZSHLKTBM-HUUCEWRRSA-N 2 1 254.418 2.125 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978021 395794229 /nfs/dbraw/zinc/79/42/29/395794229.db2.gz LATRUEMNOCGVTO-ZWKOTPCHSA-N 3 1 293.499 2.478 20 0 CEADMP CCCCNC(=O)CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978347 395794243 /nfs/dbraw/zinc/79/42/43/395794243.db2.gz QFNJRYITEWCAPD-HOTGVXAUSA-N 2 1 295.471 2.004 20 0 CEADMP CCN1C[C@@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H]1C ZINC000647989085 395796911 /nfs/dbraw/zinc/79/69/11/395796911.db2.gz GVKWJFANUDKGHY-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@@H+]1C[C@@H](C)N(CCCC2CC[NH2+]CC2)C[C@@H]1C ZINC000647989085 395796913 /nfs/dbraw/zinc/79/69/13/395796913.db2.gz GVKWJFANUDKGHY-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(CCCC2CC[NH2+]CC2)C[C@@H]1C ZINC000647989085 395796916 /nfs/dbraw/zinc/79/69/16/395796916.db2.gz GVKWJFANUDKGHY-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000647995212 395798302 /nfs/dbraw/zinc/79/83/02/395798302.db2.gz FYAJDEFGSGZQCN-KBPBESRZSA-N 2 1 254.418 2.110 20 0 CEADMP CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000647995213 395798491 /nfs/dbraw/zinc/79/84/91/395798491.db2.gz FYAJDEFGSGZQCN-KGLIPLIRSA-N 2 1 254.418 2.110 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CCO1 ZINC000648560100 395929515 /nfs/dbraw/zinc/92/95/15/395929515.db2.gz NIIAOMVQQXTDEX-HRCADAONSA-N 2 1 284.444 2.035 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CCO1 ZINC000648560100 395929518 /nfs/dbraw/zinc/92/95/18/395929518.db2.gz NIIAOMVQQXTDEX-HRCADAONSA-N 2 1 284.444 2.035 20 0 CEADMP Clc1cnc2oc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000648385223 395898895 /nfs/dbraw/zinc/89/88/95/395898895.db2.gz NZHCOXZAJBIQRK-GHMZBOCLSA-N 2 1 277.755 2.132 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)C[NH+](CC)CC ZINC000648782689 395983040 /nfs/dbraw/zinc/98/30/40/395983040.db2.gz YRLGQWNFJIOANX-KGLIPLIRSA-N 2 1 294.443 2.243 20 0 CEADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000649299018 396116111 /nfs/dbraw/zinc/11/61/11/396116111.db2.gz TWHGKOKNAPHRJY-ARFHVFGLSA-N 2 1 295.471 2.084 20 0 CEADMP CC[C@@H]1C[N@@H+](CCN(C)c2ccccc2)CC[C@H]1[NH3+] ZINC000649416631 396149222 /nfs/dbraw/zinc/14/92/22/396149222.db2.gz GYERFTYBSKLLBC-GDBMZVCRSA-N 2 1 261.413 2.182 20 0 CEADMP C[NH+](C)CCCC1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649572426 396193978 /nfs/dbraw/zinc/19/39/78/396193978.db2.gz VUOABKMHYIKBRE-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP C[NH+](C)CCCC1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649572426 396193981 /nfs/dbraw/zinc/19/39/81/396193981.db2.gz VUOABKMHYIKBRE-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP CC[C@@H]1COC(C)(C)C[N@@H+]1CCCn1cc[nH+]c1C ZINC000649716964 396237828 /nfs/dbraw/zinc/23/78/28/396237828.db2.gz RMKZJNGSVXKJJQ-CQSZACIVSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@@H]1COC(C)(C)C[N@H+]1CCCn1cc[nH+]c1C ZINC000649716964 396237829 /nfs/dbraw/zinc/23/78/29/396237829.db2.gz RMKZJNGSVXKJJQ-CQSZACIVSA-N 2 1 265.401 2.471 20 0 CEADMP C[C@H](CO)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000649803759 396261815 /nfs/dbraw/zinc/26/18/15/396261815.db2.gz PJYADLFHBOKNQE-ZBFHGGJFSA-N 2 1 268.445 2.201 20 0 CEADMP C[C@@H]1CN(C[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649629330 396215467 /nfs/dbraw/zinc/21/54/67/396215467.db2.gz BTTINLNRGAQNGM-SJLPKXTDSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000649629330 396215470 /nfs/dbraw/zinc/21/54/70/396215470.db2.gz BTTINLNRGAQNGM-SJLPKXTDSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000649629330 396215471 /nfs/dbraw/zinc/21/54/71/396215471.db2.gz BTTINLNRGAQNGM-SJLPKXTDSA-N 2 1 287.451 2.287 20 0 CEADMP Cc1ccc(C2([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)CCC2)cc1 ZINC000646129998 396299033 /nfs/dbraw/zinc/29/90/33/396299033.db2.gz IROXCGJOFXYZEU-QGZVFWFLSA-N 2 1 288.435 2.419 20 0 CEADMP Cc1ccc(C2([NH2+]C[C@@H](O)C[N@H+](C)C3CC3)CCC2)cc1 ZINC000646129998 396299037 /nfs/dbraw/zinc/29/90/37/396299037.db2.gz IROXCGJOFXYZEU-QGZVFWFLSA-N 2 1 288.435 2.419 20 0 CEADMP COCC1(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000647227081 396445421 /nfs/dbraw/zinc/44/54/21/396445421.db2.gz RGEZNSHUJYXXTH-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)Cn1nccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000647168837 396427207 /nfs/dbraw/zinc/42/72/07/396427207.db2.gz NLJIZXMXTXSQME-UHFFFAOYSA-N 2 1 264.417 2.115 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000647200269 396438164 /nfs/dbraw/zinc/43/81/64/396438164.db2.gz VJKNGBOUPFKTCG-KBXIAJHMSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048563404 400199990 /nfs/dbraw/zinc/19/99/90/400199990.db2.gz YPBFUJBOWGQUHV-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH2+]CCC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000196811692 400296350 /nfs/dbraw/zinc/29/63/50/400296350.db2.gz AHRZJLNLYBQLKS-UHFFFAOYSA-N 2 1 267.461 2.184 20 0 CEADMP C[NH2+]CCC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000196811692 400296352 /nfs/dbraw/zinc/29/63/52/400296352.db2.gz AHRZJLNLYBQLKS-UHFFFAOYSA-N 2 1 267.461 2.184 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCOC1 ZINC000224265770 400311855 /nfs/dbraw/zinc/31/18/55/400311855.db2.gz SHUODCFBZVMZSF-FIBILERRSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCOC1 ZINC000224265770 400311860 /nfs/dbraw/zinc/31/18/60/400311860.db2.gz SHUODCFBZVMZSF-FIBILERRSA-N 2 1 252.402 2.016 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cnn(C(C)C)c2)CC[C@H]1[NH3+] ZINC000300417706 400328589 /nfs/dbraw/zinc/32/85/89/400328589.db2.gz ZHDGUIGXEFCQIH-ZIAGYGMSSA-N 2 1 250.390 2.023 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cnn(C(C)C)c2)CC[C@H]1[NH3+] ZINC000300417706 400328593 /nfs/dbraw/zinc/32/85/93/400328593.db2.gz ZHDGUIGXEFCQIH-ZIAGYGMSSA-N 2 1 250.390 2.023 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1nc(-c2ccccc2)no1 ZINC000574410347 400606749 /nfs/dbraw/zinc/60/67/49/400606749.db2.gz HMDSANGRDLVEPX-GXTWGEPZSA-N 2 1 286.379 2.091 20 0 CEADMP c1cc2c(c(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)c1)CCC2 ZINC000650703046 400996671 /nfs/dbraw/zinc/99/66/71/400996671.db2.gz HUFGYOZXOOAYEQ-KRWDZBQOSA-N 2 1 256.393 2.361 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706227 400997925 /nfs/dbraw/zinc/99/79/25/400997925.db2.gz GROWDQMSHBOFIB-MELADBBJSA-N 2 1 295.452 2.170 20 0 CEADMP Cc1csc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000650706662 400998802 /nfs/dbraw/zinc/99/88/02/400998802.db2.gz POKIPCJDHDUPNT-MJBXVCDLSA-N 2 1 295.452 2.170 20 0 CEADMP Cc1ccc(CCC[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000650709549 400999510 /nfs/dbraw/zinc/99/95/10/400999510.db2.gz FFQVUMGXMOKBMR-IRXDYDNUSA-N 2 1 273.424 2.383 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC3CCCC3)C2)C1 ZINC000650708448 400999887 /nfs/dbraw/zinc/99/98/87/400999887.db2.gz ZSULTGXHCXTTLK-ARFHVFGLSA-N 2 1 266.429 2.395 20 0 CEADMP CCO[C@@H]1C[N@@H+](C[C@H](C)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000650714586 401004770 /nfs/dbraw/zinc/00/47/70/401004770.db2.gz PVMPAAAQBUPIDD-JGGQBBKZSA-N 2 1 280.387 2.225 20 0 CEADMP CCCn1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cn1 ZINC000650718360 401008061 /nfs/dbraw/zinc/00/80/61/401008061.db2.gz IKLWNMLKXSSYDL-UHFFFAOYSA-N 2 1 276.359 2.181 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)nc1 ZINC000650722900 401011577 /nfs/dbraw/zinc/01/15/77/401011577.db2.gz DHFXVKUOLVXFNL-USXIJHARSA-N 2 1 289.423 2.251 20 0 CEADMP c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CN2 ZINC000650749959 401025628 /nfs/dbraw/zinc/02/56/28/401025628.db2.gz XXDZDJXGFCIKHG-HRCADAONSA-N 2 1 271.408 2.240 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1c[nH+]ccc1N ZINC000650752251 401029451 /nfs/dbraw/zinc/02/94/51/401029451.db2.gz MVHUEHWWYHCEKH-QEORTHHSSA-N 2 1 298.390 2.460 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(CCCO)CC1 ZINC000360088205 155213128 /nfs/dbraw/zinc/21/31/28/155213128.db2.gz KHOUYGFZZOKDJE-MRXNPFEDSA-N 2 1 268.445 2.345 20 0 CEADMP CCOCCC[N@H+]1CC[C@H](NCC(C)(C)[NH+](C)C)[C@@H](C)C1 ZINC000359368436 286061999 /nfs/dbraw/zinc/06/19/99/286061999.db2.gz GFCRREVSVJKVMX-HOTGVXAUSA-N 2 1 299.503 2.053 20 0 CEADMP CCOCCC[N@H+]1CC[C@H](NCC[NH+](C)C(C)C)[C@H](C)C1 ZINC000155753264 286062540 /nfs/dbraw/zinc/06/25/40/286062540.db2.gz LAAIHQOGWCVRCS-SJORKVTESA-N 2 1 299.503 2.053 20 0 CEADMP CCOCCC[NH+]1CC[C@H](NCC[N@H+](C)C(C)C)[C@H](C)C1 ZINC000155753264 286062542 /nfs/dbraw/zinc/06/25/42/286062542.db2.gz LAAIHQOGWCVRCS-SJORKVTESA-N 2 1 299.503 2.053 20 0 CEADMP CCOCCC[NH+]1CC[C@H](NCC[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000155753264 286062547 /nfs/dbraw/zinc/06/25/47/286062547.db2.gz LAAIHQOGWCVRCS-SJORKVTESA-N 2 1 299.503 2.053 20 0 CEADMP COc1cccc(OCC[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652352601 401492467 /nfs/dbraw/zinc/49/24/67/401492467.db2.gz DDPOABNDDAFOTI-YOEHRIQHSA-N 2 1 290.407 2.135 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652355383 401492628 /nfs/dbraw/zinc/49/26/28/401492628.db2.gz WVDUDMRNDFHTDR-NHYWBVRUSA-N 2 1 265.401 2.495 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC000652355615 401493093 /nfs/dbraw/zinc/49/30/93/401493093.db2.gz BCDLGGFZFOLHNO-HOCLYGCPSA-N 3 1 267.461 2.216 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652360399 401493990 /nfs/dbraw/zinc/49/39/90/401493990.db2.gz GRMTZRGQOHUSMP-FVQBIDKESA-N 2 1 293.411 2.152 20 0 CEADMP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@@H]1CCCOC1 ZINC000652358586 401494325 /nfs/dbraw/zinc/49/43/25/401494325.db2.gz UVOMTRWLOUVAJK-HZPDHXFCSA-N 2 1 292.423 2.238 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363506 401495452 /nfs/dbraw/zinc/49/54/52/401495452.db2.gz GPFJQUIOSOQRCF-BRWVUGGUSA-N 3 1 297.487 2.079 20 0 CEADMP CC[NH+](CC)CCCN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363506 401495454 /nfs/dbraw/zinc/49/54/54/401495454.db2.gz GPFJQUIOSOQRCF-BRWVUGGUSA-N 2 1 297.487 2.079 20 0 CEADMP CCn1nccc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000360155232 155231186 /nfs/dbraw/zinc/23/11/86/155231186.db2.gz YAXGOGMEJWYWJH-UHFFFAOYSA-N 2 1 264.417 2.115 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000360428730 155298641 /nfs/dbraw/zinc/29/86/41/155298641.db2.gz PAHZEUBVOQHXBF-IAQYHMDHSA-N 2 1 268.351 2.437 20 0 CEADMP c1ccc(CCOCCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360553101 155327364 /nfs/dbraw/zinc/32/73/64/155327364.db2.gz QQZGEYKDWQWAIC-SFHVURJKSA-N 2 1 288.435 2.321 20 0 CEADMP Cc1cc([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)[nH]n1 ZINC000360605455 155334181 /nfs/dbraw/zinc/33/41/81/155334181.db2.gz WSMHUVDQYIHZSF-CABCVRRESA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)[nH]n1 ZINC000360605455 155334182 /nfs/dbraw/zinc/33/41/82/155334182.db2.gz WSMHUVDQYIHZSF-CABCVRRESA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)[nH]n1 ZINC000360605455 155334183 /nfs/dbraw/zinc/33/41/83/155334183.db2.gz WSMHUVDQYIHZSF-CABCVRRESA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)n[nH]1 ZINC000360605455 155334184 /nfs/dbraw/zinc/33/41/84/155334184.db2.gz WSMHUVDQYIHZSF-CABCVRRESA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)n[nH]1 ZINC000360605455 155334185 /nfs/dbraw/zinc/33/41/85/155334185.db2.gz WSMHUVDQYIHZSF-CABCVRRESA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n[nH]1 ZINC000360605455 155334186 /nfs/dbraw/zinc/33/41/86/155334186.db2.gz WSMHUVDQYIHZSF-CABCVRRESA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n[nH]1 ZINC000360605455 155334187 /nfs/dbraw/zinc/33/41/87/155334187.db2.gz WSMHUVDQYIHZSF-CABCVRRESA-N 2 1 276.428 2.382 20 0 CEADMP Cc1n[nH]cc1CN1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000360790138 155372442 /nfs/dbraw/zinc/37/24/42/155372442.db2.gz AXXIZQIEXZJXEU-OKZBNKHCSA-N 2 1 296.418 2.453 20 0 CEADMP Cc1n[nH]cc1C[NH+]1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000360790138 155372448 /nfs/dbraw/zinc/37/24/48/155372448.db2.gz AXXIZQIEXZJXEU-OKZBNKHCSA-N 2 1 296.418 2.453 20 0 CEADMP Cc1n[nH]cc1C[NH+]1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000360790138 155372453 /nfs/dbraw/zinc/37/24/53/155372453.db2.gz AXXIZQIEXZJXEU-OKZBNKHCSA-N 2 1 296.418 2.453 20 0 CEADMP Cc1n[nH]cc1C[N@H+]1C[C@@H]2C[NH+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000360790138 155372454 /nfs/dbraw/zinc/37/24/54/155372454.db2.gz AXXIZQIEXZJXEU-OKZBNKHCSA-N 2 1 296.418 2.453 20 0 CEADMP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2C[NH+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000360790138 155372459 /nfs/dbraw/zinc/37/24/59/155372459.db2.gz AXXIZQIEXZJXEU-OKZBNKHCSA-N 2 1 296.418 2.453 20 0 CEADMP Cc1nccn1CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192898089 153221940 /nfs/dbraw/zinc/22/19/40/153221940.db2.gz CTWJFAGFRRKMLT-MQVJKMGUSA-N 2 1 276.428 2.187 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192898089 153221943 /nfs/dbraw/zinc/22/19/43/153221943.db2.gz CTWJFAGFRRKMLT-MQVJKMGUSA-N 3 1 276.428 2.187 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192898089 153221946 /nfs/dbraw/zinc/22/19/46/153221946.db2.gz CTWJFAGFRRKMLT-MQVJKMGUSA-N 3 1 276.428 2.187 20 0 CEADMP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000192919678 153224146 /nfs/dbraw/zinc/22/41/46/153224146.db2.gz FRPPXZMLYVVBFI-MRXNPFEDSA-N 2 1 284.407 2.032 20 0 CEADMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000192919678 153224152 /nfs/dbraw/zinc/22/41/52/153224152.db2.gz FRPPXZMLYVVBFI-MRXNPFEDSA-N 2 1 284.407 2.032 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000192950111 153225767 /nfs/dbraw/zinc/22/57/67/153225767.db2.gz VWKPOZXRGDPJAG-OAHLLOKOSA-N 2 1 264.413 2.348 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(F)F)c3)C[C@@H]2C1 ZINC000193624238 153233740 /nfs/dbraw/zinc/23/37/40/153233740.db2.gz BOLAUAWPVABHMK-BETUJISGSA-N 2 1 282.334 2.281 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(F)F)c3)C[C@@H]2C1 ZINC000193624238 153233743 /nfs/dbraw/zinc/23/37/43/153233743.db2.gz BOLAUAWPVABHMK-BETUJISGSA-N 2 1 282.334 2.281 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)C[C@@H]2C1 ZINC000193624238 153233746 /nfs/dbraw/zinc/23/37/46/153233746.db2.gz BOLAUAWPVABHMK-BETUJISGSA-N 2 1 282.334 2.281 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OC(F)F)c3)C[C@@H]2C1 ZINC000193624238 153233749 /nfs/dbraw/zinc/23/37/49/153233749.db2.gz BOLAUAWPVABHMK-BETUJISGSA-N 2 1 282.334 2.281 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCOC[C@@H]3C)CC2)[nH+]1 ZINC000195038196 153273660 /nfs/dbraw/zinc/27/36/60/153273660.db2.gz FZYJPLVCZDYDFL-XJKSGUPXSA-N 2 1 289.423 2.373 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@H]1[NH3+] ZINC000261559876 153759554 /nfs/dbraw/zinc/75/95/54/153759554.db2.gz XSWLNVIPJJNORA-SWLSCSKDSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)CC[C@H]1[NH3+] ZINC000261559876 153759558 /nfs/dbraw/zinc/75/95/58/153759558.db2.gz XSWLNVIPJJNORA-SWLSCSKDSA-N 2 1 255.365 2.404 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000359524569 155043175 /nfs/dbraw/zinc/04/31/75/155043175.db2.gz DXHVFRGESAQCPW-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@@H+]1C[C@H](N[C@H](C[NH+](C)C)c2ccccc2)[C@@H](C)C1 ZINC000359799789 155130844 /nfs/dbraw/zinc/13/08/44/155130844.db2.gz NHGVEHNJUGNMLH-BHYGNILZSA-N 2 1 275.440 2.219 20 0 CEADMP Cn1cccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000363243000 156015688 /nfs/dbraw/zinc/01/56/88/156015688.db2.gz PZCJFWCSHHLKCT-QGZVFWFLSA-N 2 1 298.434 2.422 20 0 CEADMP Cn1cccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000363243000 156015690 /nfs/dbraw/zinc/01/56/90/156015690.db2.gz PZCJFWCSHHLKCT-QGZVFWFLSA-N 2 1 298.434 2.422 20 0 CEADMP COCC[NH+]1CCC([NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000365001530 156072047 /nfs/dbraw/zinc/07/20/47/156072047.db2.gz MUXBVYVMSBJDNN-UHFFFAOYSA-N 2 1 296.455 2.179 20 0 CEADMP Cc1nc(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cs1 ZINC000367303856 156161610 /nfs/dbraw/zinc/16/16/10/156161610.db2.gz YVDKXWROKPVEAU-FVQBIDKESA-N 2 1 291.464 2.410 20 0 CEADMP Cc1nc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cs1 ZINC000367303856 156161614 /nfs/dbraw/zinc/16/16/14/156161614.db2.gz YVDKXWROKPVEAU-FVQBIDKESA-N 2 1 291.464 2.410 20 0 CEADMP Cc1nc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cs1 ZINC000367303856 156161617 /nfs/dbraw/zinc/16/16/17/156161617.db2.gz YVDKXWROKPVEAU-FVQBIDKESA-N 2 1 291.464 2.410 20 0 CEADMP Cc1nc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cs1 ZINC000367303856 156161621 /nfs/dbraw/zinc/16/16/21/156161621.db2.gz YVDKXWROKPVEAU-FVQBIDKESA-N 2 1 291.464 2.410 20 0 CEADMP Cn1cncc1C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367310145 156166239 /nfs/dbraw/zinc/16/62/39/156166239.db2.gz NDRODNWNBZXJDH-AWEZNQCLSA-N 3 1 288.439 2.116 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccsc2)[C@@H]2CCC[C@H]21 ZINC000367611625 156212258 /nfs/dbraw/zinc/21/22/58/156212258.db2.gz CIVSJMYXVHIPJF-XQLPTFJDSA-N 2 1 280.437 2.244 20 0 CEADMP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000367611136 156213473 /nfs/dbraw/zinc/21/34/73/156213473.db2.gz AHOQDQYNSUVPPU-XHSDSOJGSA-N 2 1 288.439 2.110 20 0 CEADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C(=O)OC ZINC000367740845 156232098 /nfs/dbraw/zinc/23/20/98/156232098.db2.gz QNZRQAVKWGCTIG-RRFJBIMHSA-N 2 1 296.455 2.428 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC000368054766 156274691 /nfs/dbraw/zinc/27/46/91/156274691.db2.gz FHTAYMBJUHUSDZ-HNNXBMFYSA-N 2 1 256.434 2.059 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368313529 156317877 /nfs/dbraw/zinc/31/78/77/156317877.db2.gz DDTIHCIPIILSRN-SJORKVTESA-N 2 1 292.398 2.195 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368313529 156317882 /nfs/dbraw/zinc/31/78/82/156317882.db2.gz DDTIHCIPIILSRN-SJORKVTESA-N 2 1 292.398 2.195 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368313529 156317886 /nfs/dbraw/zinc/31/78/86/156317886.db2.gz DDTIHCIPIILSRN-SJORKVTESA-N 2 1 292.398 2.195 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368313529 156317890 /nfs/dbraw/zinc/31/78/90/156317890.db2.gz DDTIHCIPIILSRN-SJORKVTESA-N 2 1 292.398 2.195 20 0 CEADMP O[C@@]1(c2ccc(F)cc2)CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000374889083 157023575 /nfs/dbraw/zinc/02/35/75/157023575.db2.gz AMPORDIRJCKUMH-KRWDZBQOSA-N 2 1 292.398 2.205 20 0 CEADMP O[C@@]1(c2ccc(F)cc2)CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000374889083 157023579 /nfs/dbraw/zinc/02/35/79/157023579.db2.gz AMPORDIRJCKUMH-KRWDZBQOSA-N 2 1 292.398 2.205 20 0 CEADMP CC(C)OC1CC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000375088153 157049992 /nfs/dbraw/zinc/04/99/92/157049992.db2.gz PZKLLYKBZCFTLF-FGZQJIAISA-N 2 1 252.402 2.159 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnc3n2CCCC3)[C@@H](C)C1 ZINC000375272694 157068145 /nfs/dbraw/zinc/06/81/45/157068145.db2.gz RPMMVPHAMBLDEF-ZFWWWQNUSA-N 2 1 276.428 2.039 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnc3n2CCCC3)[C@@H](C)C1 ZINC000375272694 157068147 /nfs/dbraw/zinc/06/81/47/157068147.db2.gz RPMMVPHAMBLDEF-ZFWWWQNUSA-N 2 1 276.428 2.039 20 0 CEADMP C[C@@H](O)C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375608735 157117949 /nfs/dbraw/zinc/11/79/49/157117949.db2.gz SOKQMHJFIVAGIB-WBVHZDCISA-N 2 1 276.424 2.354 20 0 CEADMP C[C@@H](O)C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000375608735 157117951 /nfs/dbraw/zinc/11/79/51/157117951.db2.gz SOKQMHJFIVAGIB-WBVHZDCISA-N 2 1 276.424 2.354 20 0 CEADMP C[C@@H](O)C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000375608735 157117954 /nfs/dbraw/zinc/11/79/54/157117954.db2.gz SOKQMHJFIVAGIB-WBVHZDCISA-N 2 1 276.424 2.354 20 0 CEADMP CCSCC[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000375982523 157171215 /nfs/dbraw/zinc/17/12/15/157171215.db2.gz ZWCMPEYGPCGSCO-GJZGRUSLSA-N 2 1 279.453 2.417 20 0 CEADMP CCSCC[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000375982523 157171217 /nfs/dbraw/zinc/17/12/17/157171217.db2.gz ZWCMPEYGPCGSCO-GJZGRUSLSA-N 2 1 279.453 2.417 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCOC1 ZINC000151126681 162302007 /nfs/dbraw/zinc/30/20/07/162302007.db2.gz NUMRBOZGXPDKPB-CWRNSKLLSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCOC1 ZINC000151126681 162302014 /nfs/dbraw/zinc/30/20/14/162302014.db2.gz NUMRBOZGXPDKPB-CWRNSKLLSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+]1CCC[C@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000154513133 162305653 /nfs/dbraw/zinc/30/56/53/162305653.db2.gz BDDODSSUILGDFK-KRWDZBQOSA-N 2 1 279.472 2.467 20 0 CEADMP CN1CCC[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000154513133 162305656 /nfs/dbraw/zinc/30/56/56/162305656.db2.gz BDDODSSUILGDFK-KRWDZBQOSA-N 2 1 279.472 2.467 20 0 CEADMP CO[C@]1(C)C[C@@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1(C)C ZINC000155147584 162306901 /nfs/dbraw/zinc/30/69/01/162306901.db2.gz HUBJBGWGNSLSLY-QVHKTLOISA-N 2 1 254.418 2.120 20 0 CEADMP CO[C@]1(C)C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1(C)C ZINC000155147584 162306906 /nfs/dbraw/zinc/30/69/06/162306906.db2.gz HUBJBGWGNSLSLY-QVHKTLOISA-N 2 1 254.418 2.120 20 0 CEADMP CC(C)CCOCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177056863 165187099 /nfs/dbraw/zinc/18/70/99/165187099.db2.gz YEMGVLUNWCISCC-LSDHHAIUSA-N 2 1 256.434 2.464 20 0 CEADMP CC(C)CCOCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177056863 165187105 /nfs/dbraw/zinc/18/71/05/165187105.db2.gz YEMGVLUNWCISCC-LSDHHAIUSA-N 2 1 256.434 2.464 20 0 CEADMP CC(C)CCOCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177056863 165187106 /nfs/dbraw/zinc/18/71/06/165187106.db2.gz YEMGVLUNWCISCC-LSDHHAIUSA-N 2 1 256.434 2.464 20 0 CEADMP CC(C)CCOCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177056863 165187109 /nfs/dbraw/zinc/18/71/09/165187109.db2.gz YEMGVLUNWCISCC-LSDHHAIUSA-N 2 1 256.434 2.464 20 0 CEADMP COc1ccc(COCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000179463577 165279522 /nfs/dbraw/zinc/27/95/22/165279522.db2.gz JUUCIWBNZLHJEL-GDBMZVCRSA-N 2 1 292.423 2.284 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000284231689 196009788 /nfs/dbraw/zinc/00/97/88/196009788.db2.gz UPPFHLDCRPWFHY-MRXNPFEDSA-N 2 1 292.423 2.328 20 0 CEADMP CC(C)C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000020524052 171236401 /nfs/dbraw/zinc/23/64/01/171236401.db2.gz RKHJEDIQCUJSDP-WTXIUTQJSA-N 2 1 267.461 2.178 20 0 CEADMP CC(C)[NH+](CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000020523807 171237110 /nfs/dbraw/zinc/23/71/10/171237110.db2.gz ZWQLSFIEEDKOEZ-MQVJKMGUSA-N 2 1 267.461 2.320 20 0 CEADMP C[N@H+](C[C@H](O)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285379769 196266265 /nfs/dbraw/zinc/26/62/65/196266265.db2.gz CTILGAULORSALN-WFVVYAPDSA-N 2 1 292.398 2.416 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285379769 196266268 /nfs/dbraw/zinc/26/62/68/196266268.db2.gz CTILGAULORSALN-WFVVYAPDSA-N 2 1 292.398 2.416 20 0 CEADMP C[NH+](C[C@H](O)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285379769 196266270 /nfs/dbraw/zinc/26/62/70/196266270.db2.gz CTILGAULORSALN-WFVVYAPDSA-N 2 1 292.398 2.416 20 0 CEADMP C[NH+](C[C@H](O)c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285379769 196266272 /nfs/dbraw/zinc/26/62/72/196266272.db2.gz CTILGAULORSALN-WFVVYAPDSA-N 2 1 292.398 2.416 20 0 CEADMP C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414859482 533679782 /nfs/dbraw/zinc/67/97/82/533679782.db2.gz AYGKKYLMUVMGAS-GXTWGEPZSA-N 2 1 250.361 2.488 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2(C)COC2)cc1F ZINC000285609529 196342449 /nfs/dbraw/zinc/34/24/49/196342449.db2.gz YSUBEZFMLBPXIG-UHFFFAOYSA-N 2 1 289.354 2.446 20 0 CEADMP CC(C)[NH+](CC[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000037208902 173030727 /nfs/dbraw/zinc/03/07/27/173030727.db2.gz ZCOZIUQJFIYOTF-HNNXBMFYSA-N 3 1 269.477 2.425 20 0 CEADMP CCOc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000037248602 173061459 /nfs/dbraw/zinc/06/14/59/173061459.db2.gz AKVSZZFGKZXDFT-UHFFFAOYSA-N 2 1 278.396 2.278 20 0 CEADMP Cc1ncc(C[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000037505464 173241038 /nfs/dbraw/zinc/24/10/38/173241038.db2.gz UXBHPBQPCHDVIN-UHFFFAOYSA-N 2 1 253.415 2.417 20 0 CEADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000262061937 287283051 /nfs/dbraw/zinc/28/30/51/287283051.db2.gz RHDPQDIREODKCZ-BZUAXINKSA-N 2 1 295.471 2.132 20 0 CEADMP CCOc1ccc(OCC[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cc1 ZINC000040600158 174350097 /nfs/dbraw/zinc/35/00/97/174350097.db2.gz XRFMMPQOUDAEHV-HNNXBMFYSA-N 2 1 292.423 2.396 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1 ZINC000040600158 174350099 /nfs/dbraw/zinc/35/00/99/174350099.db2.gz XRFMMPQOUDAEHV-HNNXBMFYSA-N 2 1 292.423 2.396 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@@H]([NH3+])C(C)C)C1CCCCC1 ZINC000652560190 414749972 /nfs/dbraw/zinc/74/99/72/414749972.db2.gz DTFVWFFHLSOLQI-HNNXBMFYSA-N 2 1 283.460 2.131 20 0 CEADMP CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCCOC1 ZINC000402714005 414757683 /nfs/dbraw/zinc/75/76/83/414757683.db2.gz UBXNJZZLIWMQQI-KRWDZBQOSA-N 2 1 274.408 2.333 20 0 CEADMP c1cncc(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000063223636 414764007 /nfs/dbraw/zinc/76/40/07/414764007.db2.gz JMBXNNVRTREXRY-CVEARBPZSA-N 2 1 259.397 2.088 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@H](C)CO1 ZINC000403743469 414767612 /nfs/dbraw/zinc/76/76/12/414767612.db2.gz KFWIQEDFMVXNQS-CXAGYDPISA-N 2 1 274.408 2.332 20 0 CEADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662839981 414768705 /nfs/dbraw/zinc/76/87/05/414768705.db2.gz WBNMHWXGAWZTOT-AIANPOQGSA-N 2 1 293.455 2.027 20 0 CEADMP Cc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404365956 414780457 /nfs/dbraw/zinc/78/04/57/414780457.db2.gz HHRWWZCPKXMIOS-ZBFHGGJFSA-N 2 1 289.423 2.383 20 0 CEADMP Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404365956 414780461 /nfs/dbraw/zinc/78/04/61/414780461.db2.gz HHRWWZCPKXMIOS-ZBFHGGJFSA-N 2 1 289.423 2.383 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])n1 ZINC000404525107 414786589 /nfs/dbraw/zinc/78/65/89/414786589.db2.gz ZEMRXOCWIZNGKZ-BXUZGUMPSA-N 2 1 263.385 2.045 20 0 CEADMP C[N@H+](CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CCCC1 ZINC000121711417 414787659 /nfs/dbraw/zinc/78/76/59/414787659.db2.gz QOOAAWKMHNXDIV-JYJNAYRXSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@@H+](CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CCCC1 ZINC000121711417 414787664 /nfs/dbraw/zinc/78/76/64/414787664.db2.gz QOOAAWKMHNXDIV-JYJNAYRXSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650725106 414747823 /nfs/dbraw/zinc/74/78/23/414747823.db2.gz TUHFKNNUXJIMPB-UXXRCYHCSA-N 2 1 252.402 2.003 20 0 CEADMP CCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1 ZINC000405623124 414795435 /nfs/dbraw/zinc/79/54/35/414795435.db2.gz WNIYRRNAGJZPCU-NVXWUHKLSA-N 2 1 292.423 2.271 20 0 CEADMP CCO[C@@H]1C[N@@H+]([C@@H](C)c2cccc(F)c2)C[C@H]1C[NH3+] ZINC000405549017 414795472 /nfs/dbraw/zinc/79/54/72/414795472.db2.gz YEICPXPXSJRJFR-NJZAAPMLSA-N 2 1 266.360 2.182 20 0 CEADMP CCO[C@@H]1C[N@H+]([C@@H](C)c2cccc(F)c2)C[C@H]1C[NH3+] ZINC000405549017 414795476 /nfs/dbraw/zinc/79/54/76/414795476.db2.gz YEICPXPXSJRJFR-NJZAAPMLSA-N 2 1 266.360 2.182 20 0 CEADMP CCO[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000405540518 414796249 /nfs/dbraw/zinc/79/62/49/414796249.db2.gz RPFHNGJLLYYECG-NJZAAPMLSA-N 2 1 266.360 2.182 20 0 CEADMP CCO[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000405540518 414796254 /nfs/dbraw/zinc/79/62/54/414796254.db2.gz RPFHNGJLLYYECG-NJZAAPMLSA-N 2 1 266.360 2.182 20 0 CEADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2c[nH+]cn2c1 ZINC000654314424 414904873 /nfs/dbraw/zinc/90/48/73/414904873.db2.gz IKVSLOZETXTELS-HOTGVXAUSA-N 2 1 298.390 2.081 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000653110399 414908602 /nfs/dbraw/zinc/90/86/02/414908602.db2.gz HKQIDMSBRSVJJQ-HRCADAONSA-N 2 1 295.471 2.132 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](c1cccnc1)C(C)(C)CO ZINC000660637780 414908638 /nfs/dbraw/zinc/90/86/38/414908638.db2.gz IVSVLQVOWUOBOD-HZPDHXFCSA-N 2 1 291.439 2.215 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](c1cccnc1)C(C)(C)CO ZINC000660637780 414908645 /nfs/dbraw/zinc/90/86/45/414908645.db2.gz IVSVLQVOWUOBOD-HZPDHXFCSA-N 2 1 291.439 2.215 20 0 CEADMP COc1ccnc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660658591 414920376 /nfs/dbraw/zinc/92/03/76/414920376.db2.gz HQQNCLKQSYTSEU-MRXNPFEDSA-N 2 1 275.396 2.008 20 0 CEADMP CCC(C)(C)NC(=O)[C@@H](C)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655394 414920680 /nfs/dbraw/zinc/92/06/80/414920680.db2.gz LYIWUIPGABKZPU-RHSMWYFYSA-N 2 1 295.471 2.097 20 0 CEADMP CCCOc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c(C)c1 ZINC000657414852 414921072 /nfs/dbraw/zinc/92/10/72/414921072.db2.gz DUNRPNYGTHPCJF-QGZVFWFLSA-N 2 1 294.439 2.186 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC[C@H]1CCOC1)C2 ZINC000660664164 414923086 /nfs/dbraw/zinc/92/30/86/414923086.db2.gz QGPXWFDWVTUZFQ-JKSUJKDBSA-N 2 1 266.429 2.221 20 0 CEADMP Cc1ccc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)cn1 ZINC000660663480 414924382 /nfs/dbraw/zinc/92/43/82/414924382.db2.gz OBUVIUKWGHBIRU-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP CN(C)c1ccc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000660665682 414927182 /nfs/dbraw/zinc/92/71/82/414927182.db2.gz XEKMIUJZBGHKHA-QGZVFWFLSA-N 2 1 288.439 2.065 20 0 CEADMP C[C@@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000663497754 414970979 /nfs/dbraw/zinc/97/09/79/414970979.db2.gz JTJHBUCBUQSSMO-IZIZEDOESA-N 2 1 299.462 2.381 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@H](F)[C@H](N)C2)cc2cccnc12 ZINC000663506004 414975301 /nfs/dbraw/zinc/97/53/01/414975301.db2.gz RUFHPNGZAJSRBK-HUUCEWRRSA-N 2 1 273.355 2.414 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H](F)[C@H](N)C2)cc2cccnc12 ZINC000663506004 414975303 /nfs/dbraw/zinc/97/53/03/414975303.db2.gz RUFHPNGZAJSRBK-HUUCEWRRSA-N 2 1 273.355 2.414 20 0 CEADMP C[NH2+]C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000663508821 414977690 /nfs/dbraw/zinc/97/76/90/414977690.db2.gz FPIAFRLDAPVIEF-YQQAZPJKSA-N 2 1 275.440 2.237 20 0 CEADMP C[NH2+]C[C@@H](C)[NH2+]CCCCCOc1ccccc1 ZINC000663514843 414978987 /nfs/dbraw/zinc/97/89/87/414978987.db2.gz UQYYWFUNHMOXMN-CQSZACIVSA-N 2 1 250.386 2.433 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000663514958 414979908 /nfs/dbraw/zinc/97/99/08/414979908.db2.gz XGPUMJLSLIEXRX-RYUDHWBXSA-N 2 1 268.376 2.210 20 0 CEADMP CC[C@H](C)C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657595275 415015537 /nfs/dbraw/zinc/01/55/37/415015537.db2.gz GCCWSWXRGONZRZ-YOEHRIQHSA-N 2 1 276.424 2.389 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000663469541 414966130 /nfs/dbraw/zinc/96/61/30/414966130.db2.gz QEGQGXXKUILXAA-UWWQBHOKSA-N 2 1 291.483 2.181 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469541 414966135 /nfs/dbraw/zinc/96/61/35/414966135.db2.gz QEGQGXXKUILXAA-UWWQBHOKSA-N 2 1 291.483 2.181 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469541 414966141 /nfs/dbraw/zinc/96/61/41/414966141.db2.gz QEGQGXXKUILXAA-UWWQBHOKSA-N 2 1 291.483 2.181 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469541 414966148 /nfs/dbraw/zinc/96/61/48/414966148.db2.gz QEGQGXXKUILXAA-UWWQBHOKSA-N 2 1 291.483 2.181 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469541 414966152 /nfs/dbraw/zinc/96/61/52/414966152.db2.gz QEGQGXXKUILXAA-UWWQBHOKSA-N 2 1 291.483 2.181 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657834384 415099602 /nfs/dbraw/zinc/09/96/02/415099602.db2.gz OAXLQHRNSNMEEM-QLFBSQMISA-N 2 1 268.445 2.369 20 0 CEADMP COC1([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000657836932 415100721 /nfs/dbraw/zinc/10/07/21/415100721.db2.gz YHPVWZDESKVEFT-OLZOCXBDSA-N 2 1 252.402 2.018 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657844767 415102849 /nfs/dbraw/zinc/10/28/49/415102849.db2.gz JWHJYIFAAYKHJD-GFCCVEGCSA-N 2 1 260.372 2.396 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCn2nccc21)C[NH+]1CCCC1 ZINC000657844096 415103484 /nfs/dbraw/zinc/10/34/84/415103484.db2.gz GHNQUACUHBNQIQ-ZIAGYGMSSA-N 2 1 262.401 2.040 20 0 CEADMP COC[C@@H](CC1CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658029522 415163211 /nfs/dbraw/zinc/16/32/11/415163211.db2.gz QRSXCKYEFLKTQX-IFFAKLHKSA-N 2 1 296.455 2.033 20 0 CEADMP Cc1nc(NCC[N@@H+](C)CCC[NH+](C)C)sc1C ZINC000664247943 415241213 /nfs/dbraw/zinc/24/12/13/415241213.db2.gz KSWAKSYWHLSRMR-UHFFFAOYSA-N 2 1 270.446 2.055 20 0 CEADMP Cc1nc(NCC[N@H+](C)CCC[NH+](C)C)sc1C ZINC000664247943 415241219 /nfs/dbraw/zinc/24/12/19/415241219.db2.gz KSWAKSYWHLSRMR-UHFFFAOYSA-N 2 1 270.446 2.055 20 0 CEADMP CC(C)(C)OCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658189205 415254017 /nfs/dbraw/zinc/25/40/17/415254017.db2.gz XPDWTKLGTPYKEF-HNNXBMFYSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)O1 ZINC000658216287 415257874 /nfs/dbraw/zinc/25/78/74/415257874.db2.gz QDQSKOWLZDPZKL-IUODEOHRSA-N 2 1 252.402 2.160 20 0 CEADMP COCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229212 415265777 /nfs/dbraw/zinc/26/57/77/415265777.db2.gz PMEORWCTJJCCGC-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP COCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229212 415265783 /nfs/dbraw/zinc/26/57/83/415265783.db2.gz PMEORWCTJJCCGC-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661498975 415291486 /nfs/dbraw/zinc/29/14/86/415291486.db2.gz NONKPXKDPLBGIB-ZBFHGGJFSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661498975 415291491 /nfs/dbraw/zinc/29/14/91/415291491.db2.gz NONKPXKDPLBGIB-ZBFHGGJFSA-N 2 1 279.428 2.455 20 0 CEADMP c1coc(CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000658325146 415318693 /nfs/dbraw/zinc/31/86/93/415318693.db2.gz KMARJNVVGHELHV-QGZVFWFLSA-N 2 1 292.423 2.445 20 0 CEADMP C1=CC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655700542 415397348 /nfs/dbraw/zinc/39/73/48/415397348.db2.gz MIYUOPIRFIASCY-HOCLYGCPSA-N 2 1 264.413 2.186 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655716420 415409419 /nfs/dbraw/zinc/40/94/19/415409419.db2.gz XCKBPQYFMLGMOE-IRXDYDNUSA-N 2 1 298.471 2.017 20 0 CEADMP C[C@@]1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCS1 ZINC000655722508 415413231 /nfs/dbraw/zinc/41/32/31/415413231.db2.gz CINGBNLXIKYLKB-GJZGRUSLSA-N 2 1 284.469 2.115 20 0 CEADMP Cc1ccsc1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655735517 415422107 /nfs/dbraw/zinc/42/21/07/415422107.db2.gz IXDODWKNCTWEKV-HNNXBMFYSA-N 2 1 294.464 2.442 20 0 CEADMP COCCC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655734263 415422681 /nfs/dbraw/zinc/42/26/81/415422681.db2.gz DCXMCOGDQSEAHU-INIZCTEOSA-N 2 1 296.455 2.036 20 0 CEADMP c1coc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655692370 415388670 /nfs/dbraw/zinc/38/86/70/415388670.db2.gz VBOTWDCHDWFPQA-INIZCTEOSA-N 2 1 278.396 2.055 20 0 CEADMP CCOC(C)(C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655757565 415438185 /nfs/dbraw/zinc/43/81/85/415438185.db2.gz IXLBDSBEZDLGBY-OAHLLOKOSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000655754974 415438625 /nfs/dbraw/zinc/43/86/25/415438625.db2.gz ZLLPGPNPIKZBBS-INMHGKMJSA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@@](C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)OC ZINC000655773304 415452971 /nfs/dbraw/zinc/45/29/71/415452971.db2.gz VHESFOZPRAQWEF-HOTGVXAUSA-N 2 1 284.444 2.035 20 0 CEADMP CCC(C)(C)OCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655775410 415456380 /nfs/dbraw/zinc/45/63/80/415456380.db2.gz WROYYAWGSHSTMS-OAHLLOKOSA-N 2 1 284.444 2.035 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000655785256 415465006 /nfs/dbraw/zinc/46/50/06/415465006.db2.gz IUFHYGPGGXBGBF-CVEARBPZSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)CC[N@@H+]1C ZINC000655788279 415469540 /nfs/dbraw/zinc/46/95/40/415469540.db2.gz GDOCLPIKRFZZGD-OJLVUWQFSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)CC[N@H+]1C ZINC000655788279 415469544 /nfs/dbraw/zinc/46/95/44/415469544.db2.gz GDOCLPIKRFZZGD-OJLVUWQFSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000655834638 415508414 /nfs/dbraw/zinc/50/84/14/415508414.db2.gz QJJXFLQLDOOXKI-XBVQOTNRSA-N 2 1 273.424 2.475 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH+]3CCCC[C@H]23)CC[N@H+]1C ZINC000655848985 415515022 /nfs/dbraw/zinc/51/50/22/415515022.db2.gz NGGAUTIGQJGOBQ-LVQVYYBASA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH+]1C ZINC000655848985 415515033 /nfs/dbraw/zinc/51/50/33/415515033.db2.gz NGGAUTIGQJGOBQ-LVQVYYBASA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN3CCCC[C@H]23)CCN1C ZINC000655848985 415515039 /nfs/dbraw/zinc/51/50/39/415515039.db2.gz NGGAUTIGQJGOBQ-LVQVYYBASA-N 2 1 265.445 2.076 20 0 CEADMP COc1cccc(OC)c1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000665237916 415639599 /nfs/dbraw/zinc/63/95/99/415639599.db2.gz MBDPWZNCRZBDDD-TZMCWYRMSA-N 2 1 278.396 2.182 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]CCO[C@@H]2CC2(F)F)c2ccccc21 ZINC000665244588 415646119 /nfs/dbraw/zinc/64/61/19/415646119.db2.gz RGQMEMWIQMBQEO-FRRDWIJNSA-N 2 1 268.307 2.145 20 0 CEADMP CCc1ccc2[nH+]ccc(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)c2c1 ZINC000656219018 415649272 /nfs/dbraw/zinc/64/92/72/415649272.db2.gz JSPCBBVWZZVKFM-LSDHHAIUSA-N 2 1 297.402 2.052 20 0 CEADMP Cc1cccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662161079 415665469 /nfs/dbraw/zinc/66/54/69/415665469.db2.gz REKSGGGUSRRPSI-KRWDZBQOSA-N 2 1 274.408 2.026 20 0 CEADMP Cc1cccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662161079 415665471 /nfs/dbraw/zinc/66/54/71/415665471.db2.gz REKSGGGUSRRPSI-KRWDZBQOSA-N 2 1 274.408 2.026 20 0 CEADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000665281977 415671622 /nfs/dbraw/zinc/67/16/22/415671622.db2.gz NVPNNKFSNHXVCX-LVQVYYBASA-N 3 1 267.461 2.260 20 0 CEADMP C[NH2+]C[C@@H](C)[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000665295514 415683687 /nfs/dbraw/zinc/68/36/87/415683687.db2.gz FLGJACRZTVZRJA-LLVKDONJSA-N 2 1 283.366 2.131 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000665297815 415684856 /nfs/dbraw/zinc/68/48/56/415684856.db2.gz MCWCDTJPOJRUPW-OPFPJEHXSA-N 2 1 254.418 2.454 20 0 CEADMP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1c[nH+]ccc1N ZINC000665299527 415687448 /nfs/dbraw/zinc/68/74/48/415687448.db2.gz OSBDQLLPGNMGGH-CYBMUJFWSA-N 3 1 288.439 2.267 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnccn2)CC1 ZINC000656420836 415692155 /nfs/dbraw/zinc/69/21/55/415692155.db2.gz RZACROXIZXBCJU-UHFFFAOYSA-N 2 1 262.401 2.029 20 0 CEADMP CC[C@@H]1CCCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254772 415719427 /nfs/dbraw/zinc/71/94/27/415719427.db2.gz LIWQWPWQWHMCML-ZIAGYGMSSA-N 2 1 252.402 2.162 20 0 CEADMP CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)c1cccc(O)c1 ZINC000662253963 415721393 /nfs/dbraw/zinc/72/13/93/415721393.db2.gz ZUZFTFHEQDRVAF-BBRMVZONSA-N 2 1 290.407 2.296 20 0 CEADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC2(C1)CCCCC2 ZINC000662257879 415723727 /nfs/dbraw/zinc/72/37/27/415723727.db2.gz STQRNUMORBXNAP-AWEZNQCLSA-N 2 1 264.413 2.164 20 0 CEADMP C[C@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258468 415725889 /nfs/dbraw/zinc/72/58/89/415725889.db2.gz VAETZBLVVSWRHA-ZFWWWQNUSA-N 2 1 272.392 2.127 20 0 CEADMP CC(C)C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662257504 415726554 /nfs/dbraw/zinc/72/65/54/415726554.db2.gz PGFMCBXHUGZPTO-CABCVRRESA-N 2 1 266.429 2.266 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(C4CC4)no3)C[C@@H]21 ZINC000662265243 415731007 /nfs/dbraw/zinc/73/10/07/415731007.db2.gz GREVYYYWPHLCDH-KWCYVHTRSA-N 2 1 261.369 2.111 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(C4CC4)no3)C[C@@H]21 ZINC000662265243 415731011 /nfs/dbraw/zinc/73/10/11/415731011.db2.gz GREVYYYWPHLCDH-KWCYVHTRSA-N 2 1 261.369 2.111 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)C1CCCCC1 ZINC000662265821 415733318 /nfs/dbraw/zinc/73/33/18/415733318.db2.gz JBADSXUKPIMFQA-BPLDGKMQSA-N 2 1 254.418 2.251 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662244151 415707603 /nfs/dbraw/zinc/70/76/03/415707603.db2.gz DNEHJLSDWWEDDV-GFCCVEGCSA-N 2 1 298.333 2.092 20 0 CEADMP CO[C@H](C[N@@H+](C)CC(C)(C)C[NH3+])C1CCCCC1 ZINC000662247954 415709590 /nfs/dbraw/zinc/70/95/90/415709590.db2.gz PNDTYNOJGOSTLS-CQSZACIVSA-N 2 1 256.434 2.498 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCSc2cccc(OC)c2)C1 ZINC000662247696 415712695 /nfs/dbraw/zinc/71/26/95/415712695.db2.gz YNPQFABYMWWYID-CYBMUJFWSA-N 2 1 280.437 2.329 20 0 CEADMP CC[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCOC1 ZINC000662251472 415713942 /nfs/dbraw/zinc/71/39/42/415713942.db2.gz FCZBAICVPLGKKE-CQSZACIVSA-N 2 1 274.408 2.191 20 0 CEADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000656499973 415743353 /nfs/dbraw/zinc/74/33/53/415743353.db2.gz LUTLWGRGYOMQFE-KDOFPFPSSA-N 2 1 288.435 2.367 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nc(C)n1 ZINC000662277499 415745937 /nfs/dbraw/zinc/74/59/37/415745937.db2.gz VJKLELQSNIHLJC-ZBFHGGJFSA-N 2 1 274.412 2.057 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nc(C)n1 ZINC000662277499 415745945 /nfs/dbraw/zinc/74/59/45/415745945.db2.gz VJKLELQSNIHLJC-ZBFHGGJFSA-N 2 1 274.412 2.057 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C1CCC1 ZINC000662277165 415747083 /nfs/dbraw/zinc/74/70/83/415747083.db2.gz RYKSJGIQXFVAHU-ARFHVFGLSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCC2CCC2)CC1 ZINC000659911211 415777863 /nfs/dbraw/zinc/77/78/63/415777863.db2.gz WCLFOIZLMRNACQ-KRWDZBQOSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000662305939 415766936 /nfs/dbraw/zinc/76/69/36/415766936.db2.gz LGZSEBLREIDXDY-OAHLLOKOSA-N 2 1 256.434 2.105 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2)[C@@H]1CCC[NH3+] ZINC000662316442 415773640 /nfs/dbraw/zinc/77/36/40/415773640.db2.gz WNPRKSBTDSSKJB-CZUORRHYSA-N 2 1 289.423 2.125 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCOC[C@H]2CCCO2)[C@@H]1CCC[NH3+] ZINC000662316483 415774246 /nfs/dbraw/zinc/77/42/46/415774246.db2.gz WXKWGASICITGDZ-BZUAXINKSA-N 2 1 284.444 2.021 20 0 CEADMP CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C(C)(C)[NH3+])no1 ZINC000662316176 415774589 /nfs/dbraw/zinc/77/45/89/415774589.db2.gz JBSHNRSZHXHJMR-FGWVZKOKSA-N 2 1 264.373 2.026 20 0 CEADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C(C)(C)[NH3+])no1 ZINC000662316176 415774594 /nfs/dbraw/zinc/77/45/94/415774594.db2.gz JBSHNRSZHXHJMR-FGWVZKOKSA-N 2 1 264.373 2.026 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cccc(C(N)=O)c2)[C@@H]1CCC[NH3+] ZINC000662315567 415775153 /nfs/dbraw/zinc/77/51/53/415775153.db2.gz SJSURASJPCDIPS-CZUORRHYSA-N 2 1 289.423 2.125 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(C3CC3)no2)C[C@@H]1C[NH3+] ZINC000662284074 415753368 /nfs/dbraw/zinc/75/33/68/415753368.db2.gz SRQJSHHEQAISEQ-MDZLAQPJSA-N 2 1 263.385 2.357 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(C3CC3)no2)C[C@@H]1C[NH3+] ZINC000662284074 415753372 /nfs/dbraw/zinc/75/33/72/415753372.db2.gz SRQJSHHEQAISEQ-MDZLAQPJSA-N 2 1 263.385 2.357 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H]1CC[NH3+] ZINC000662287140 415755463 /nfs/dbraw/zinc/75/54/63/415755463.db2.gz WTVMQHXEZOZUEM-KDOFPFPSSA-N 3 1 287.451 2.282 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCc2ccccc2F)CCO1 ZINC000662321333 415778505 /nfs/dbraw/zinc/77/85/05/415778505.db2.gz BLOFCHWHBBDHOT-MRXNPFEDSA-N 2 1 294.414 2.411 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCc2ccccc2F)CCO1 ZINC000662321333 415778510 /nfs/dbraw/zinc/77/85/10/415778510.db2.gz BLOFCHWHBBDHOT-MRXNPFEDSA-N 2 1 294.414 2.411 20 0 CEADMP CCCCC[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000662319228 415778706 /nfs/dbraw/zinc/77/87/06/415778706.db2.gz KWLVXEBUCAPCMB-MRXNPFEDSA-N 2 1 267.461 2.326 20 0 CEADMP Cc1noc(CCC[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662317855 415779144 /nfs/dbraw/zinc/77/91/44/415779144.db2.gz UAZGMKNERBHLKJ-TZMCWYRMSA-N 2 1 280.416 2.150 20 0 CEADMP c1cc2c(nc[nH+]c2N2CCC([C@H]3CCC[NH2+]C3)CC2)[nH]1 ZINC000656608559 415784448 /nfs/dbraw/zinc/78/44/48/415784448.db2.gz LBPQKYMMTNHYML-ZDUSSCGKSA-N 2 1 285.395 2.174 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Cc2ccccc2)C1 ZINC000659950655 415803706 /nfs/dbraw/zinc/80/37/06/415803706.db2.gz QFWVJYXFOSYJHF-QZTJIDSGSA-N 2 1 290.451 2.252 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000659950655 415803710 /nfs/dbraw/zinc/80/37/10/415803710.db2.gz QFWVJYXFOSYJHF-QZTJIDSGSA-N 2 1 290.451 2.252 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000659950655 415803719 /nfs/dbraw/zinc/80/37/19/415803719.db2.gz QFWVJYXFOSYJHF-QZTJIDSGSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000659968964 415816371 /nfs/dbraw/zinc/81/63/71/415816371.db2.gz MJQCHKKQDYIDQJ-IXDOHACOSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000659983387 415824437 /nfs/dbraw/zinc/82/44/37/415824437.db2.gz KUFDNLCBCLZPKI-VVLHAWIVSA-N 2 1 281.488 2.379 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000659983387 415824440 /nfs/dbraw/zinc/82/44/40/415824440.db2.gz KUFDNLCBCLZPKI-VVLHAWIVSA-N 2 1 281.488 2.379 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000659983387 415824445 /nfs/dbraw/zinc/82/44/45/415824445.db2.gz KUFDNLCBCLZPKI-VVLHAWIVSA-N 2 1 281.488 2.379 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](OC)C2CCC2)C1 ZINC000659982127 415826650 /nfs/dbraw/zinc/82/66/50/415826650.db2.gz GBTDYUZVZLBSIN-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](OC)C2CCC2)C1 ZINC000659982127 415826656 /nfs/dbraw/zinc/82/66/56/415826656.db2.gz GBTDYUZVZLBSIN-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC000659982127 415826660 /nfs/dbraw/zinc/82/66/60/415826660.db2.gz GBTDYUZVZLBSIN-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCCC(=O)NCC(C)C)CC1 ZINC000659983226 415827416 /nfs/dbraw/zinc/82/74/16/415827416.db2.gz HJFWECJXZBMCGP-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000662622104 415908538 /nfs/dbraw/zinc/90/85/38/415908538.db2.gz OMURRCHOQNPGJT-WFASDCNBSA-N 2 1 289.423 2.309 20 0 CEADMP FC(F)n1ccnc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785115 415860449 /nfs/dbraw/zinc/86/04/49/415860449.db2.gz ITUTUGUIWZRUOR-ZDUSSCGKSA-N 2 1 298.381 2.490 20 0 CEADMP FC(F)n1ccnc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785115 415860451 /nfs/dbraw/zinc/86/04/51/415860451.db2.gz ITUTUGUIWZRUOR-ZDUSSCGKSA-N 2 1 298.381 2.490 20 0 CEADMP COC[C@@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000656789994 415863761 /nfs/dbraw/zinc/86/37/61/415863761.db2.gz HIWILRDATHICIR-APHBMKBZSA-N 2 1 280.387 2.143 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CC1([NH3+])CCCC1 ZINC000656789787 415864486 /nfs/dbraw/zinc/86/44/86/415864486.db2.gz YJICSCSNYPASOB-UHFFFAOYSA-N 2 1 299.422 2.245 20 0 CEADMP C[N@H+]1CC[C@@H]2CCN(Cc3cnc4ccccc4n3)[C@@H]2C1 ZINC000660225357 415931027 /nfs/dbraw/zinc/93/10/27/415931027.db2.gz OUMOAJASBDUMRY-CXAGYDPISA-N 2 1 282.391 2.156 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H]2CCCC[C@@H]21 ZINC000660238599 415933828 /nfs/dbraw/zinc/93/38/28/415933828.db2.gz KWGPRWDRNBVFAZ-FPCVCCKLSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H]2CCCC[C@@H]21 ZINC000660238599 415933832 /nfs/dbraw/zinc/93/38/32/415933832.db2.gz KWGPRWDRNBVFAZ-FPCVCCKLSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H]2CCCC[C@@H]21 ZINC000660238599 415933836 /nfs/dbraw/zinc/93/38/36/415933836.db2.gz KWGPRWDRNBVFAZ-FPCVCCKLSA-N 2 1 268.445 2.198 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cn2cccc(F)c2n1 ZINC000666743475 419414029 /nfs/dbraw/zinc/41/40/29/419414029.db2.gz RGIOXZJGELDDPN-SMDDNHRTSA-N 2 1 276.359 2.081 20 0 CEADMP CCC(=O)N1CCC([NH2+]CC[NH2+]C2CCCCCC2)CC1 ZINC000666749173 419416898 /nfs/dbraw/zinc/41/68/98/419416898.db2.gz AEWLWAKNHUPFGZ-UHFFFAOYSA-N 2 1 295.471 2.289 20 0 CEADMP C1CC2(C1)C[C@H]([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC[NH2+]2 ZINC000666993898 419506268 /nfs/dbraw/zinc/50/62/68/419506268.db2.gz RXCAXZPOWFQRGJ-UGUYLWEFSA-N 3 1 277.456 2.171 20 0 CEADMP Cc1ncsc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996946 419507217 /nfs/dbraw/zinc/50/72/17/419507217.db2.gz NJGMPNMGGBWSIM-LLVKDONJSA-N 2 1 251.399 2.216 20 0 CEADMP COc1cc(C)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(C)n1 ZINC000666997016 419507326 /nfs/dbraw/zinc/50/73/26/419507326.db2.gz RFJVHHLOSCQYEM-AWEZNQCLSA-N 2 1 289.423 2.471 20 0 CEADMP Cc1occc1CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000666373233 419642982 /nfs/dbraw/zinc/64/29/82/419642982.db2.gz JMOARFJLPOKKPQ-KRWDZBQOSA-N 2 1 291.439 2.188 20 0 CEADMP Cc1occc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000666373233 419642988 /nfs/dbraw/zinc/64/29/88/419642988.db2.gz JMOARFJLPOKKPQ-KRWDZBQOSA-N 2 1 291.439 2.188 20 0 CEADMP Cc1occc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000666373233 419642996 /nfs/dbraw/zinc/64/29/96/419642996.db2.gz JMOARFJLPOKKPQ-KRWDZBQOSA-N 2 1 291.439 2.188 20 0 CEADMP CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1CC1 ZINC000667631051 419740201 /nfs/dbraw/zinc/74/02/01/419740201.db2.gz YGKVKPQXSVUINL-UHFFFAOYSA-N 2 1 256.353 2.499 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667665039 419765580 /nfs/dbraw/zinc/76/55/80/419765580.db2.gz XBQPIIORBOFUMS-OLZOCXBDSA-N 2 1 256.353 2.498 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667665039 419765582 /nfs/dbraw/zinc/76/55/82/419765582.db2.gz XBQPIIORBOFUMS-OLZOCXBDSA-N 2 1 256.353 2.498 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000449307492 260387874 /nfs/dbraw/zinc/38/78/74/260387874.db2.gz ZWOQWLYNBJIJLM-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)[NH+](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CC1)C(C)C ZINC000427470764 260744627 /nfs/dbraw/zinc/74/46/27/260744627.db2.gz IHNUNPXCLMJZOZ-INIZCTEOSA-N 2 1 295.471 2.190 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390430818 262191994 /nfs/dbraw/zinc/19/19/94/262191994.db2.gz PLFMDRRCENLNAR-YOEHRIQHSA-N 2 1 284.407 2.019 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cn1 ZINC000414774112 263043661 /nfs/dbraw/zinc/04/36/61/263043661.db2.gz YFXPEONDGCHTBZ-CZUORRHYSA-N 2 1 261.413 2.382 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cn1 ZINC000414774112 263043662 /nfs/dbraw/zinc/04/36/62/263043662.db2.gz YFXPEONDGCHTBZ-CZUORRHYSA-N 2 1 261.413 2.382 20 0 CEADMP FC(F)n1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000414775329 263043857 /nfs/dbraw/zinc/04/38/57/263043857.db2.gz GLROHYCWGIGXRC-NWDGAFQWSA-N 2 1 284.354 2.100 20 0 CEADMP FC(F)n1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000414775329 263043858 /nfs/dbraw/zinc/04/38/58/263043858.db2.gz GLROHYCWGIGXRC-NWDGAFQWSA-N 2 1 284.354 2.100 20 0 CEADMP C[N@@H+](Cc1ccc(OCC2CC2)cc1)C1CC([NH3+])C1 ZINC000414775599 263044333 /nfs/dbraw/zinc/04/43/33/263044333.db2.gz MEVJDGLZZSPVRR-UHFFFAOYSA-N 2 1 260.381 2.397 20 0 CEADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453312068 263228108 /nfs/dbraw/zinc/22/81/08/263228108.db2.gz UCOLCGRSNOFFMW-MGPQQGTHSA-N 2 1 279.453 2.456 20 0 CEADMP CC(C)OCCOC1CC[NH+]([C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000453361043 263249269 /nfs/dbraw/zinc/24/92/69/263249269.db2.gz NFEAINITOGDDIM-JKSUJKDBSA-N 2 1 298.471 2.375 20 0 CEADMP CC(C)OCCOC1CC[NH+]([C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000453361043 263249270 /nfs/dbraw/zinc/24/92/70/263249270.db2.gz NFEAINITOGDDIM-JKSUJKDBSA-N 2 1 298.471 2.375 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@H]3c3ccccc3)C[C@@H]2C1 ZINC000425991213 264279356 /nfs/dbraw/zinc/27/93/56/264279356.db2.gz SPNJLMHIIHVWCE-NCOADZHNSA-N 2 1 256.393 2.284 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3C[C@H]3c3ccccc3)C[C@@H]2C1 ZINC000425991213 264279358 /nfs/dbraw/zinc/27/93/58/264279358.db2.gz SPNJLMHIIHVWCE-NCOADZHNSA-N 2 1 256.393 2.284 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3C[C@H]3c3ccccc3)C[C@@H]2C1 ZINC000425991213 264279360 /nfs/dbraw/zinc/27/93/60/264279360.db2.gz SPNJLMHIIHVWCE-NCOADZHNSA-N 2 1 256.393 2.284 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]([NH3+])CC(C)C)cc1OC ZINC000107760039 270233152 /nfs/dbraw/zinc/23/31/52/270233152.db2.gz UTYNGIFTDQUVEY-ZDUSSCGKSA-N 2 1 266.385 2.167 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC1CC[NH+](C(C)C)CC1 ZINC000160144492 270238382 /nfs/dbraw/zinc/23/83/82/270238382.db2.gz OWJQVTSUKSEVDE-AWEZNQCLSA-N 2 1 255.450 2.179 20 0 CEADMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000191463776 270273001 /nfs/dbraw/zinc/27/30/01/270273001.db2.gz NPAWONHSNSFYEQ-UHFFFAOYSA-N 2 1 267.461 2.275 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000193953993 270290846 /nfs/dbraw/zinc/29/08/46/270290846.db2.gz XSDDVJGCTHCRRV-OWCLPIDISA-N 2 1 276.424 2.160 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000226396475 270309845 /nfs/dbraw/zinc/30/98/45/270309845.db2.gz BCMZSWFSYNHXEY-GDBMZVCRSA-N 2 1 291.439 2.313 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)c1ccccc1 ZINC000310784128 270333029 /nfs/dbraw/zinc/33/30/29/270333029.db2.gz GCIMMOHWGOHDPK-HUUCEWRRSA-N 2 1 250.386 2.040 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000310784128 270333030 /nfs/dbraw/zinc/33/30/30/270333030.db2.gz GCIMMOHWGOHDPK-HUUCEWRRSA-N 2 1 250.386 2.040 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000314959003 270333494 /nfs/dbraw/zinc/33/34/94/270333494.db2.gz UMQXFRRGFDMTNH-CQSZACIVSA-N 2 1 299.422 2.292 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[N@H+]1CC=CCC1 ZINC000392190580 270340858 /nfs/dbraw/zinc/34/08/58/270340858.db2.gz ACFDXQQUZUKIII-CVEARBPZSA-N 2 1 265.445 2.149 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[N@@H+]1CC=CCC1 ZINC000392190580 270340860 /nfs/dbraw/zinc/34/08/60/270340860.db2.gz ACFDXQQUZUKIII-CVEARBPZSA-N 2 1 265.445 2.149 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000393683605 270344138 /nfs/dbraw/zinc/34/41/38/270344138.db2.gz SUIACBLMAHVERH-UPJWGTAASA-N 2 1 256.434 2.102 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC([NH3+])(CC)CC)C[C@H]1C ZINC000418427774 270372991 /nfs/dbraw/zinc/37/29/91/270372991.db2.gz OVNOQKRGRKYIIZ-KGLIPLIRSA-N 2 1 298.475 2.018 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326068 270519244 /nfs/dbraw/zinc/51/92/44/270519244.db2.gz JDMYXUVFAWGGTE-HZPDHXFCSA-N 2 1 268.445 2.371 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420374137 270531029 /nfs/dbraw/zinc/53/10/29/270531029.db2.gz NIYAONQHFXCSMZ-WBVHZDCISA-N 2 1 296.455 2.287 20 0 CEADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000420419324 270537598 /nfs/dbraw/zinc/53/75/98/270537598.db2.gz XQCLFPNYIBDIDH-OLZOCXBDSA-N 2 1 298.390 2.332 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@@H]2CCCCN2)CC1 ZINC000422779287 270764633 /nfs/dbraw/zinc/76/46/33/270764633.db2.gz FSMSAEZPMAHZOW-ZBFHGGJFSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000422820884 270784315 /nfs/dbraw/zinc/78/43/15/270784315.db2.gz SUJSPGGXIFALSO-NXEZZACHSA-N 2 1 266.776 2.203 20 0 CEADMP Cc1nc(C)c(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000422889677 270798784 /nfs/dbraw/zinc/79/87/84/270798784.db2.gz QDGIHGDNQUONQZ-SKDRFNHKSA-N 2 1 253.415 2.033 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000422949060 270804699 /nfs/dbraw/zinc/80/46/99/270804699.db2.gz SONNCOLIVOJYPW-STQMWFEESA-N 2 1 254.761 2.188 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)nc21)[C@@H]1CCC[NH2+]1 ZINC000423003328 270817734 /nfs/dbraw/zinc/81/77/34/270817734.db2.gz HKETUTVACDNNKP-KFWWJZLASA-N 2 1 276.428 2.189 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423189314 270864982 /nfs/dbraw/zinc/86/49/82/270864982.db2.gz PCCCRGMMYAGKRN-IRXDYDNUSA-N 2 1 291.439 2.356 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000423269157 270884697 /nfs/dbraw/zinc/88/46/97/270884697.db2.gz GUOCFKPKHHFQIY-PBHICJAKSA-N 2 1 284.407 2.206 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CC2C[NH2+]C2)ccc1OC(F)F ZINC000423299527 270892278 /nfs/dbraw/zinc/89/22/78/270892278.db2.gz CCRUVQHCWIDTPZ-SECBINFHSA-N 2 1 286.322 2.167 20 0 CEADMP CSc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)cc1F ZINC000423303680 270892538 /nfs/dbraw/zinc/89/25/38/270892538.db2.gz MLGFRZQCIOKFSS-SECBINFHSA-N 2 1 254.374 2.418 20 0 CEADMP C[C@@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000423364642 270904452 /nfs/dbraw/zinc/90/44/52/270904452.db2.gz OWOWAQBIKIQQEQ-KBAYOESNSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423487411 270916983 /nfs/dbraw/zinc/91/69/83/270916983.db2.gz UHBCSBMMJKTIRC-BHYGNILZSA-N 2 1 275.440 2.067 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(F)cc1 ZINC000423498770 270918306 /nfs/dbraw/zinc/91/83/06/270918306.db2.gz CBEUIRCZTPGZBT-LSDHHAIUSA-N 2 1 266.360 2.245 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000424136292 271021413 /nfs/dbraw/zinc/02/14/13/271021413.db2.gz QQXXNJKRNQUETM-UHFFFAOYSA-N 2 1 284.306 2.192 20 0 CEADMP COC(=O)CC1CC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000424267387 271036716 /nfs/dbraw/zinc/03/67/16/271036716.db2.gz YFKOXCROVIBGKB-NFOMZHRRSA-N 2 1 282.428 2.182 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000424270486 271037066 /nfs/dbraw/zinc/03/70/66/271037066.db2.gz QOVKTRMXHPZFKF-AVVWSFFYSA-N 2 1 296.455 2.428 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C[C@H]2C1 ZINC000424270817 271037512 /nfs/dbraw/zinc/03/75/12/271037512.db2.gz QZPWLKPZTULZLR-RHJCGQNESA-N 2 1 278.440 2.406 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426210254 271204788 /nfs/dbraw/zinc/20/47/88/271204788.db2.gz LRVRVYQNPMMPPJ-HUUCEWRRSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426210254 271204790 /nfs/dbraw/zinc/20/47/90/271204790.db2.gz LRVRVYQNPMMPPJ-HUUCEWRRSA-N 2 1 265.401 2.207 20 0 CEADMP COCC(C)(C)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000426409848 271220398 /nfs/dbraw/zinc/22/03/98/271220398.db2.gz GTQDXORTRUNEPW-KGLIPLIRSA-N 2 1 254.418 2.075 20 0 CEADMP COCC(C)(C)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000426409848 271220401 /nfs/dbraw/zinc/22/04/01/271220401.db2.gz GTQDXORTRUNEPW-KGLIPLIRSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000428896463 271297647 /nfs/dbraw/zinc/29/76/47/271297647.db2.gz TWYGDOGAZNZVMM-MRXNPFEDSA-N 2 1 291.439 2.268 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)NCC(C)(C)[NH3+])cc1)C1CC1 ZINC000429649305 271338734 /nfs/dbraw/zinc/33/87/34/271338734.db2.gz CASBTXRXHFBABG-UHFFFAOYSA-N 2 1 289.423 2.138 20 0 CEADMP C[N@@H+](CCc1nc(-c2ccccc2)no1)CC(C)(C)C[NH3+] ZINC000430577772 271394298 /nfs/dbraw/zinc/39/42/98/271394298.db2.gz VFOKVVJYRAZMII-UHFFFAOYSA-N 2 1 288.395 2.196 20 0 CEADMP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065693 271850198 /nfs/dbraw/zinc/85/01/98/271850198.db2.gz CMOJSLLNLPUJOL-LVDPKSTMSA-N 2 1 295.471 2.131 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)CC2 ZINC000271896485 274124588 /nfs/dbraw/zinc/12/45/88/274124588.db2.gz UHRCZJQOBYOZPH-KRWDZBQOSA-N 2 1 286.419 2.404 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000335636640 274307437 /nfs/dbraw/zinc/30/74/37/274307437.db2.gz NKUXPRBPYVWHGU-RHSMWYFYSA-N 2 1 273.424 2.243 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2C[NH2+]C2)c2ccsc2S1 ZINC000335553492 274624052 /nfs/dbraw/zinc/62/40/52/274624052.db2.gz YDPYTMLFNOHZGK-KWQFWETISA-N 2 1 254.424 2.483 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCSC1 ZINC000336707160 275396066 /nfs/dbraw/zinc/39/60/66/275396066.db2.gz NFVOSPKMCXDZLW-MELADBBJSA-N 2 1 254.443 2.346 20 0 CEADMP CCCOC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367198442 276018941 /nfs/dbraw/zinc/01/89/41/276018941.db2.gz BWPWZJHBMVAVBW-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2(OC)CCCC2)C1 ZINC000361572451 276074912 /nfs/dbraw/zinc/07/49/12/276074912.db2.gz SRPKBLVPNZXWQN-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2(OC)CCCC2)C1 ZINC000361572451 276074913 /nfs/dbraw/zinc/07/49/13/276074913.db2.gz SRPKBLVPNZXWQN-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2(OC)CCCC2)C1 ZINC000361572451 276074914 /nfs/dbraw/zinc/07/49/14/276074914.db2.gz SRPKBLVPNZXWQN-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)[C@H]2CCCO[C@@H]21 ZINC000366733001 276163490 /nfs/dbraw/zinc/16/34/90/276163490.db2.gz YYCHCNWBKKULCP-XNISGKROSA-N 2 1 289.423 2.239 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCC[C@@H]2O)[C@H](C)C1 ZINC000305197445 276229905 /nfs/dbraw/zinc/22/99/05/276229905.db2.gz ZOSWJQLBBSAGGR-UGUYLWEFSA-N 2 1 268.445 2.248 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000359524570 276258699 /nfs/dbraw/zinc/25/86/99/276258699.db2.gz DXHVFRGESAQCPW-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000359524570 276258701 /nfs/dbraw/zinc/25/87/01/276258701.db2.gz DXHVFRGESAQCPW-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000359524570 276258704 /nfs/dbraw/zinc/25/87/04/276258704.db2.gz DXHVFRGESAQCPW-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCOC(=O)C1CCC([NH2+]C[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000414929644 276274212 /nfs/dbraw/zinc/27/42/12/276274212.db2.gz OWFZXFMIRUQOAY-YMAMQOFZSA-N 2 1 296.455 2.476 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]C[C@H]2CCOc3ccccc32)CC1 ZINC000378450708 277023170 /nfs/dbraw/zinc/02/31/70/277023170.db2.gz COLXMVAZYBBUKP-OAHLLOKOSA-N 2 1 272.392 2.404 20 0 CEADMP C[NH+]1CCC(C[NH2+][C@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000132065768 277026825 /nfs/dbraw/zinc/02/68/25/277026825.db2.gz VCMCYAHNEXQUKC-CVEARBPZSA-N 2 1 259.397 2.063 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCO)C1CCCCC1 ZINC000305648511 277059865 /nfs/dbraw/zinc/05/98/65/277059865.db2.gz SUMYNECOJNFXOD-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCO)C1CCCCC1 ZINC000305648511 277059866 /nfs/dbraw/zinc/05/98/66/277059866.db2.gz SUMYNECOJNFXOD-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCO)C1CCCCC1 ZINC000305648511 277059867 /nfs/dbraw/zinc/05/98/67/277059867.db2.gz SUMYNECOJNFXOD-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)C3CCCCC3)C2)C1 ZINC000334385628 277072368 /nfs/dbraw/zinc/07/23/68/277072368.db2.gz NIMMJGVICYIGHP-DLBZAZTESA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)C3CCCCC3)C2)C1 ZINC000334385628 277072369 /nfs/dbraw/zinc/07/23/69/277072369.db2.gz NIMMJGVICYIGHP-DLBZAZTESA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)C3CCCCC3)C2)C1 ZINC000334385628 277072370 /nfs/dbraw/zinc/07/23/70/277072370.db2.gz NIMMJGVICYIGHP-DLBZAZTESA-N 2 1 280.456 2.345 20 0 CEADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000361110718 277073354 /nfs/dbraw/zinc/07/33/54/277073354.db2.gz HOTXJWOAQUZCIE-SUMWQHHRSA-N 2 1 289.423 2.117 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000070148697 277073880 /nfs/dbraw/zinc/07/38/80/277073880.db2.gz QZEVGRVEMUSOQJ-MRXNPFEDSA-N 2 1 275.396 2.348 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)CC(F)(F)F)CC1 ZINC000358355996 277151866 /nfs/dbraw/zinc/15/18/66/277151866.db2.gz TYAARPUBJGZQMN-LLVKDONJSA-N 2 1 282.350 2.152 20 0 CEADMP COC1(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCC1 ZINC000336795331 277183451 /nfs/dbraw/zinc/18/34/51/277183451.db2.gz JSOXADZLOIEPDT-MELADBBJSA-N 2 1 254.418 2.264 20 0 CEADMP COC1([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000414305740 277189517 /nfs/dbraw/zinc/18/95/17/277189517.db2.gz NQHYFVQKZYDTKC-GFCCVEGCSA-N 2 1 252.402 2.160 20 0 CEADMP COCCC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000183945546 277202527 /nfs/dbraw/zinc/20/25/27/277202527.db2.gz DSXIJLKLMZVRNQ-HZSPNIEDSA-N 2 1 256.434 2.367 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1cccc(OC)c1OC(C)C ZINC000414864140 277268426 /nfs/dbraw/zinc/26/84/26/277268426.db2.gz YYXIDTFRODUJMB-UHFFFAOYSA-N 2 1 266.385 2.182 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000414846291 277282471 /nfs/dbraw/zinc/28/24/71/277282471.db2.gz UOPWYBQBHUAUGP-ZOBUZTSGSA-N 3 1 281.488 2.475 20 0 CEADMP CC(C)(O)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000370162071 277312936 /nfs/dbraw/zinc/31/29/36/277312936.db2.gz NESYEQMSOOUMAB-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000247123653 277332187 /nfs/dbraw/zinc/33/21/87/277332187.db2.gz RGQJKTOYRVWJMT-FVQBIDKESA-N 2 1 262.397 2.446 20 0 CEADMP COC1(C[C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000373023543 277471188 /nfs/dbraw/zinc/47/11/88/277471188.db2.gz WOCQZFNBBCNTDY-UONOGXRCSA-N 2 1 277.412 2.383 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246834998 278003425 /nfs/dbraw/zinc/00/34/25/278003425.db2.gz BVILFBOSGJHSLU-TWMKSMIVSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246834998 278003427 /nfs/dbraw/zinc/00/34/27/278003427.db2.gz BVILFBOSGJHSLU-TWMKSMIVSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246834998 278003428 /nfs/dbraw/zinc/00/34/28/278003428.db2.gz BVILFBOSGJHSLU-TWMKSMIVSA-N 2 1 281.488 2.427 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000368607106 278125849 /nfs/dbraw/zinc/12/58/49/278125849.db2.gz GSCOHTYVJABBDE-YNEHKIRRSA-N 2 1 254.443 2.344 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414782841 278127570 /nfs/dbraw/zinc/12/75/70/278127570.db2.gz PCZFPEKUXYNWKQ-HOTGVXAUSA-N 2 1 276.428 2.286 20 0 CEADMP C[C@@H]([NH3+])CC[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC000414818538 278308261 /nfs/dbraw/zinc/30/82/61/278308261.db2.gz FJQXMCRVBOIIDT-NXEZZACHSA-N 2 1 253.415 2.095 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000158481035 278313403 /nfs/dbraw/zinc/31/34/03/278313403.db2.gz KDCQOSJYMCKZRY-CHWSQXEVSA-N 2 1 278.444 2.277 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000158945092 278331514 /nfs/dbraw/zinc/33/15/14/278331514.db2.gz LDHJEQNSINVHRM-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]1CCC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000174354542 278348381 /nfs/dbraw/zinc/34/83/81/278348381.db2.gz CGYXELVYRSKEPH-JKSUJKDBSA-N 2 1 267.461 2.182 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2(SC)CC2)C1 ZINC000347860672 279110596 /nfs/dbraw/zinc/11/05/96/279110596.db2.gz JNWIUQAYBGJLJV-AWEZNQCLSA-N 2 1 286.485 2.315 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000336811665 279119775 /nfs/dbraw/zinc/11/97/75/279119775.db2.gz NZJQCIVPKUGHTE-IYXRBSQSSA-N 2 1 270.417 2.038 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N(C)CC2([NH+](C)C)CCC2)n1 ZINC000376971726 279169490 /nfs/dbraw/zinc/16/94/90/279169490.db2.gz MYNIEYACKLPZDN-UHFFFAOYSA-N 2 1 299.422 2.496 20 0 CEADMP CC(C)C[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351717740 279207253 /nfs/dbraw/zinc/20/72/53/279207253.db2.gz OWLOIVZBOMJGOK-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351717740 279207254 /nfs/dbraw/zinc/20/72/54/279207254.db2.gz OWLOIVZBOMJGOK-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351717740 279207255 /nfs/dbraw/zinc/20/72/55/279207255.db2.gz OWLOIVZBOMJGOK-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351717740 279207256 /nfs/dbraw/zinc/20/72/56/279207256.db2.gz OWLOIVZBOMJGOK-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+]1CCC(N(C)C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000413334386 279257590 /nfs/dbraw/zinc/25/75/90/279257590.db2.gz VXNMSTLKZAMYLM-ZNMIVQPWSA-N 2 1 295.471 2.190 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000171453504 279266473 /nfs/dbraw/zinc/26/64/73/279266473.db2.gz QTBDZNCHYOOZNA-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000157750214 279275340 /nfs/dbraw/zinc/27/53/40/279275340.db2.gz OLWLSGRPYRWHJI-CQSZACIVSA-N 2 1 264.417 2.126 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000157750214 279275342 /nfs/dbraw/zinc/27/53/42/279275342.db2.gz OLWLSGRPYRWHJI-CQSZACIVSA-N 2 1 264.417 2.126 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000183175647 280112417 /nfs/dbraw/zinc/11/24/17/280112417.db2.gz CVQNHBFXMQBQMN-KBPBESRZSA-N 2 1 299.459 2.364 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000361398922 280254845 /nfs/dbraw/zinc/25/48/45/280254845.db2.gz XESWFYPHWDYBPT-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000361398922 280254847 /nfs/dbraw/zinc/25/48/47/280254847.db2.gz XESWFYPHWDYBPT-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000361398922 280254848 /nfs/dbraw/zinc/25/48/48/280254848.db2.gz XESWFYPHWDYBPT-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)[C@H](CN[C@@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCCCCC1 ZINC000343268881 280255092 /nfs/dbraw/zinc/25/50/92/280255092.db2.gz HBJQTRGEXNQMAK-ZACQAIPSSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)NC2CCCC2)[C@@H](C)C1 ZINC000246433934 280293109 /nfs/dbraw/zinc/29/31/09/280293109.db2.gz CVZLVGZJFURRCJ-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)NC2CCCC2)[C@@H](C)C1 ZINC000246433934 280293112 /nfs/dbraw/zinc/29/31/12/280293112.db2.gz CVZLVGZJFURRCJ-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)NC2CCCC2)[C@@H](C)C1 ZINC000246433934 280293118 /nfs/dbraw/zinc/29/31/18/280293118.db2.gz CVZLVGZJFURRCJ-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246534754 280299906 /nfs/dbraw/zinc/29/99/06/280299906.db2.gz VMSFSHXIGPLEET-UHIISALHSA-N 2 1 265.401 2.467 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247133797 280321448 /nfs/dbraw/zinc/32/14/48/280321448.db2.gz RVDWUEXOYXXZID-KLHDSHLOSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247133797 280321449 /nfs/dbraw/zinc/32/14/49/280321449.db2.gz RVDWUEXOYXXZID-KLHDSHLOSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247133797 280321450 /nfs/dbraw/zinc/32/14/50/280321450.db2.gz RVDWUEXOYXXZID-KLHDSHLOSA-N 2 1 267.461 2.037 20 0 CEADMP CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000247583632 280334368 /nfs/dbraw/zinc/33/43/68/280334368.db2.gz ZBYUCBNJPOBKOO-BFHYXJOUSA-N 2 1 285.476 2.246 20 0 CEADMP Cc1nccn1CCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000248005354 280341611 /nfs/dbraw/zinc/34/16/11/280341611.db2.gz KTRYEUFYFVFJLC-IIAWOOMASA-N 2 1 278.444 2.290 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000248005354 280341613 /nfs/dbraw/zinc/34/16/13/280341613.db2.gz KTRYEUFYFVFJLC-IIAWOOMASA-N 3 1 278.444 2.290 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000248005354 280341614 /nfs/dbraw/zinc/34/16/14/280341614.db2.gz KTRYEUFYFVFJLC-IIAWOOMASA-N 3 1 278.444 2.290 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnn2C)C1 ZINC000249052806 280381443 /nfs/dbraw/zinc/38/14/43/280381443.db2.gz XXRIORHUVXRVJV-ZIAGYGMSSA-N 2 1 264.417 2.191 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnn2C)C1 ZINC000249052806 280381446 /nfs/dbraw/zinc/38/14/46/280381446.db2.gz XXRIORHUVXRVJV-ZIAGYGMSSA-N 2 1 264.417 2.191 20 0 CEADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C1CCOCC1 ZINC000249202726 280388699 /nfs/dbraw/zinc/38/86/99/280388699.db2.gz UJMBKOMBJVBVCU-NVXWUHKLSA-N 2 1 298.471 2.138 20 0 CEADMP CC[C@@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249300361 280392301 /nfs/dbraw/zinc/39/23/01/280392301.db2.gz RWXZQQXOYVQFEX-WBVHZDCISA-N 2 1 276.424 2.354 20 0 CEADMP CC[C@@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249300361 280392302 /nfs/dbraw/zinc/39/23/02/280392302.db2.gz RWXZQQXOYVQFEX-WBVHZDCISA-N 2 1 276.424 2.354 20 0 CEADMP CC[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249300361 280392304 /nfs/dbraw/zinc/39/23/04/280392304.db2.gz RWXZQQXOYVQFEX-WBVHZDCISA-N 2 1 276.424 2.354 20 0 CEADMP CC[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249300361 280392305 /nfs/dbraw/zinc/39/23/05/280392305.db2.gz RWXZQQXOYVQFEX-WBVHZDCISA-N 2 1 276.424 2.354 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2CCO[C@@H](C(F)(F)F)C2)C[C@@]1(C)C[NH3+] ZINC000311359296 288250147 /nfs/dbraw/zinc/25/01/47/288250147.db2.gz GFMQLRAACLRNKS-DDHJBXDOSA-N 2 1 280.334 2.013 20 0 CEADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422871305 280941856 /nfs/dbraw/zinc/94/18/56/280941856.db2.gz YPDAKYSUZTTYHV-AWEZNQCLSA-N 2 1 292.423 2.108 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000422926829 280968561 /nfs/dbraw/zinc/96/85/61/280968561.db2.gz XPPMTOGEDVRPKU-GZBFAFLISA-N 2 1 292.423 2.365 20 0 CEADMP C[C@@H]([NH2+]CCOc1ncccc1Cl)c1c[nH+]ccc1N ZINC000422930877 280971543 /nfs/dbraw/zinc/97/15/43/280971543.db2.gz WJCDNNYGQGZUGY-SNVBAGLBSA-N 2 1 292.770 2.272 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)OC ZINC000423162148 281020851 /nfs/dbraw/zinc/02/08/51/281020851.db2.gz SUOAPRLKYYLPPE-MJVIPROJSA-N 2 1 251.374 2.206 20 0 CEADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(Br)cs1 ZINC000423330196 281023618 /nfs/dbraw/zinc/02/36/18/281023618.db2.gz UBKFQTKWMUXPFR-SSDOTTSWSA-N 2 1 275.215 2.381 20 0 CEADMP C[NH2+][C@@H](C)C[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000423402423 281028895 /nfs/dbraw/zinc/02/88/95/281028895.db2.gz WWQPHLDPFCLELP-QWRGUYRKSA-N 2 1 256.340 2.483 20 0 CEADMP CC[N@@H+](CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1)C(C)C ZINC000423407641 281032254 /nfs/dbraw/zinc/03/22/54/281032254.db2.gz WERWLYWBXPWFTI-CYBMUJFWSA-N 2 1 277.412 2.166 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423417587 281035671 /nfs/dbraw/zinc/03/56/71/281035671.db2.gz HAPXPZWLAJXHGP-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000423496640 281056107 /nfs/dbraw/zinc/05/61/07/281056107.db2.gz FDTSSLWXDZXWRS-UKPHBRMFSA-N 2 1 275.440 2.321 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000423496639 281056173 /nfs/dbraw/zinc/05/61/73/281056173.db2.gz FDTSSLWXDZXWRS-JLJPHGGASA-N 2 1 275.440 2.321 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000423496638 281056257 /nfs/dbraw/zinc/05/62/57/281056257.db2.gz FDTSSLWXDZXWRS-FRFSOERESA-N 2 1 275.440 2.321 20 0 CEADMP CC[C@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000337262271 281080998 /nfs/dbraw/zinc/08/09/98/281080998.db2.gz YPZITPLMOXEDAJ-INIZCTEOSA-N 2 1 267.461 2.277 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)C[C@H]2C1 ZINC000424267158 281141061 /nfs/dbraw/zinc/14/10/61/281141061.db2.gz MBHDVAWSQHJDAB-NEXGVSGLSA-N 2 1 278.440 2.406 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)C[C@H]2C1 ZINC000424267158 281141064 /nfs/dbraw/zinc/14/10/64/281141064.db2.gz MBHDVAWSQHJDAB-NEXGVSGLSA-N 2 1 278.440 2.406 20 0 CEADMP COC1(C[NH2+]CCC[N@@H+](C)C2CCCCC2)CCOCC1 ZINC000428875777 281204858 /nfs/dbraw/zinc/20/48/58/281204858.db2.gz HDFYOXGRQURUBE-UHFFFAOYSA-N 2 1 298.471 2.426 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(C)(C)O ZINC000429247562 281230600 /nfs/dbraw/zinc/23/06/00/281230600.db2.gz WQDYNZPPDRDDEK-UHFFFAOYSA-N 2 1 267.417 2.319 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(C)(C)O ZINC000429247562 281230602 /nfs/dbraw/zinc/23/06/02/281230602.db2.gz WQDYNZPPDRDDEK-UHFFFAOYSA-N 2 1 267.417 2.319 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000435869167 281399467 /nfs/dbraw/zinc/39/94/67/281399467.db2.gz INHDCKROIJYJBR-HNNXBMFYSA-N 2 1 278.396 2.450 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000435869167 281399469 /nfs/dbraw/zinc/39/94/69/281399469.db2.gz INHDCKROIJYJBR-HNNXBMFYSA-N 2 1 278.396 2.450 20 0 CEADMP C[NH+](C)CC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000355069231 289094371 /nfs/dbraw/zinc/09/43/71/289094371.db2.gz RKOMOMYEYHZVIW-HZPDHXFCSA-N 2 1 279.472 2.325 20 0 CEADMP C[NH+](C)CC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000355069231 289094373 /nfs/dbraw/zinc/09/43/73/289094373.db2.gz RKOMOMYEYHZVIW-HZPDHXFCSA-N 3 1 279.472 2.325 20 0 CEADMP C[NH+](C)CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000355069231 289094374 /nfs/dbraw/zinc/09/43/74/289094374.db2.gz RKOMOMYEYHZVIW-HZPDHXFCSA-N 3 1 279.472 2.325 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCOCC1CCOCC1 ZINC000157482900 289215257 /nfs/dbraw/zinc/21/52/57/289215257.db2.gz RQTZKIJWNZBNKL-INMHGKMJSA-N 2 1 298.471 2.138 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000158156469 289229274 /nfs/dbraw/zinc/22/92/74/289229274.db2.gz LXXYQESBLNARBO-BXUZGUMPSA-N 2 1 262.401 2.086 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000158156469 289229276 /nfs/dbraw/zinc/22/92/76/289229276.db2.gz LXXYQESBLNARBO-BXUZGUMPSA-N 2 1 262.401 2.086 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+]CCc1c[nH+]cn1C)CC2 ZINC000401781269 289288420 /nfs/dbraw/zinc/28/84/20/289288420.db2.gz WIDCHRMXUBRWRZ-OAHLLOKOSA-N 2 1 285.391 2.118 20 0 CEADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])c1cccs1 ZINC000089147897 289364839 /nfs/dbraw/zinc/36/48/39/289364839.db2.gz NBEKRVNITJUZIP-JHJVBQTASA-N 2 1 267.442 2.068 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2C)[C@H]1SC ZINC000459394247 290136098 /nfs/dbraw/zinc/13/60/98/290136098.db2.gz RSEBPQXBAKORNU-BFHYXJOUSA-N 2 1 283.441 2.080 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1SC ZINC000459565135 290180951 /nfs/dbraw/zinc/18/09/51/290180951.db2.gz FZUIVTPOHPTAQW-IOMHNCRASA-N 2 1 284.469 2.110 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H]2c2ccccc2F)CC1 ZINC000459660568 290205832 /nfs/dbraw/zinc/20/58/32/290205832.db2.gz UPWZHTQDAXYFRX-DOTOQJQBSA-N 2 1 292.398 2.382 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000459716007 290215728 /nfs/dbraw/zinc/21/57/28/290215728.db2.gz ZBKLOAGZQJDXRO-OAGGEKHMSA-N 2 1 286.419 2.379 20 0 CEADMP Cc1ccn2c(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)cnc2c1 ZINC000459721107 290216782 /nfs/dbraw/zinc/21/67/82/290216782.db2.gz AQPBEXIVYAAPHQ-OAHLLOKOSA-N 2 1 286.423 2.464 20 0 CEADMP Cc1noc(C)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459724401 290218570 /nfs/dbraw/zinc/21/85/70/290218570.db2.gz DJNHRFPOISFCPB-ZDUSSCGKSA-N 2 1 251.374 2.113 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccn(C(F)F)n2)C1 ZINC000459740493 290222774 /nfs/dbraw/zinc/22/27/74/290222774.db2.gz UKNPXCMMPFSIOZ-NSHDSACASA-N 2 1 272.343 2.100 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C2Cc3ccccc3C2)C1 ZINC000459741110 290223328 /nfs/dbraw/zinc/22/33/28/290223328.db2.gz VBKJOMMWXDJUTE-CQSZACIVSA-N 2 1 258.409 2.475 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)s1 ZINC000459776561 290236144 /nfs/dbraw/zinc/23/61/44/290236144.db2.gz VSCOBWVTMMXOBS-KGYLQXTDSA-N 2 1 265.426 2.483 20 0 CEADMP C(=C/c1ccncc1)\C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000486955061 290322999 /nfs/dbraw/zinc/32/29/99/290322999.db2.gz JXFXUKOQICEOHY-WNEUIUNWSA-N 2 1 257.381 2.311 20 0 CEADMP C(=C/c1ccncc1)\C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000486955061 290323004 /nfs/dbraw/zinc/32/30/04/290323004.db2.gz JXFXUKOQICEOHY-WNEUIUNWSA-N 2 1 257.381 2.311 20 0 CEADMP Cc1c[nH+]cn1CC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000528781341 297868145 /nfs/dbraw/zinc/86/81/45/297868145.db2.gz FVUVDCLYWXELFX-UHFFFAOYSA-N 2 1 286.379 2.200 20 0 CEADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178432 298045618 /nfs/dbraw/zinc/04/56/18/298045618.db2.gz LCZFBUWKLSVPGK-CJNGLKHVSA-N 2 1 272.392 2.427 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000530212989 298051279 /nfs/dbraw/zinc/05/12/79/298051279.db2.gz SWDYSFODBKEZJX-GOEBONIOSA-N 2 1 280.387 2.054 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000530222222 298056393 /nfs/dbraw/zinc/05/63/93/298056393.db2.gz RAUQGJZMRPPFDX-XNRPHZJLSA-N 2 1 280.387 2.052 20 0 CEADMP C[C@H](C(=O)NC(C)(C)CCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000293614075 298131385 /nfs/dbraw/zinc/13/13/85/298131385.db2.gz HHRBIGKXWXKPDN-CQSZACIVSA-N 2 1 291.439 2.141 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000539803438 298254862 /nfs/dbraw/zinc/25/48/62/298254862.db2.gz UHSRZYPHYCWYTP-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CNCC[N@@H+]1CC[C@@H](C)C1 ZINC000541375713 298278829 /nfs/dbraw/zinc/27/88/29/298278829.db2.gz WUDOTXKPBUTCPQ-CQSZACIVSA-N 2 1 299.422 2.007 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCN1CC[C@@H](C)C1 ZINC000541375713 298278832 /nfs/dbraw/zinc/27/88/32/298278832.db2.gz WUDOTXKPBUTCPQ-CQSZACIVSA-N 2 1 299.422 2.007 20 0 CEADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000566555966 299002222 /nfs/dbraw/zinc/00/22/22/299002222.db2.gz CGIGJIPSPUPLPP-IIAWOOMASA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000566555966 299002226 /nfs/dbraw/zinc/00/22/26/299002226.db2.gz CGIGJIPSPUPLPP-IIAWOOMASA-N 2 1 268.445 2.246 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2ccccc2)C1 ZINC000566687560 299015787 /nfs/dbraw/zinc/01/57/87/299015787.db2.gz NOXSNOJHGXVCBC-SJORKVTESA-N 2 1 276.424 2.179 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000566687560 299015789 /nfs/dbraw/zinc/01/57/89/299015789.db2.gz NOXSNOJHGXVCBC-SJORKVTESA-N 2 1 276.424 2.179 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000566687560 299015791 /nfs/dbraw/zinc/01/57/91/299015791.db2.gz NOXSNOJHGXVCBC-SJORKVTESA-N 2 1 276.424 2.179 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000070074294 303386870 /nfs/dbraw/zinc/38/68/70/303386870.db2.gz DZOAKTDVPWKHRJ-NSHDSACASA-N 2 1 268.323 2.016 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)C1CC1 ZINC000414791088 303393206 /nfs/dbraw/zinc/39/32/06/303393206.db2.gz AWSXZJJJJHLYLZ-CQSZACIVSA-N 2 1 252.402 2.053 20 0 CEADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)[C@@H]1CCOC1 ZINC000164680247 312661133 /nfs/dbraw/zinc/66/11/33/312661133.db2.gz YUYVAVZNJAMDLL-HUUCEWRRSA-N 2 1 265.401 2.376 20 0 CEADMP CCC1(CC)[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C[C@@H]1OC ZINC000181752050 312797010 /nfs/dbraw/zinc/79/70/10/312797010.db2.gz NJYFMDMLMYCZCA-CABCVRRESA-N 2 1 298.471 2.281 20 0 CEADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)CC[NH+](C)C1CCCCC1 ZINC000514667157 313052878 /nfs/dbraw/zinc/05/28/78/313052878.db2.gz CFQAHBLGJMUKTC-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000514667157 313052881 /nfs/dbraw/zinc/05/28/81/313052881.db2.gz CFQAHBLGJMUKTC-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000514667157 313052883 /nfs/dbraw/zinc/05/28/83/313052883.db2.gz CFQAHBLGJMUKTC-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)CCC1 ZINC000516422815 313088987 /nfs/dbraw/zinc/08/89/87/313088987.db2.gz GZUFKMYGDPYWJH-UHFFFAOYSA-N 2 1 284.363 2.240 20 0 CEADMP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCCc2c[nH+]cn2C)C1(C)C ZINC000516580498 313092370 /nfs/dbraw/zinc/09/23/70/313092370.db2.gz JKSVRDGNRFWKIB-FPMFFAJLSA-N 2 1 265.401 2.002 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC12CC2 ZINC000527858310 313210782 /nfs/dbraw/zinc/21/07/82/313210782.db2.gz JSODMZPOJALJNP-GJZGRUSLSA-N 2 1 278.440 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527960654 313220859 /nfs/dbraw/zinc/22/08/59/313220859.db2.gz CVPPQOQTVDNGEM-XJKCOSOUSA-N 2 1 286.423 2.392 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)C1CCCCC1 ZINC000569700106 314010994 /nfs/dbraw/zinc/01/09/94/314010994.db2.gz GGBRNNBZBZGHEZ-QLFBSQMISA-N 2 1 254.418 2.035 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000570838788 314061466 /nfs/dbraw/zinc/06/14/66/314061466.db2.gz CCXBWSYCGJXPNH-UONOGXRCSA-N 2 1 289.423 2.120 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCCCC(F)(F)C1)C1CC1 ZINC000571198895 314077609 /nfs/dbraw/zinc/07/76/09/314077609.db2.gz DYPKKVNHRKGKOA-OCCSQVGLSA-N 2 1 290.398 2.247 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCCCC(F)(F)C1)C1CC1 ZINC000571198895 314077612 /nfs/dbraw/zinc/07/76/12/314077612.db2.gz DYPKKVNHRKGKOA-OCCSQVGLSA-N 2 1 290.398 2.247 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CCCc1cccc(Cl)c1)C1CC1 ZINC000571315273 314085117 /nfs/dbraw/zinc/08/51/17/314085117.db2.gz DXWYRUCOXMTBBN-INIZCTEOSA-N 2 1 296.842 2.317 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCc1cccc(Cl)c1)C1CC1 ZINC000571315273 314085120 /nfs/dbraw/zinc/08/51/20/314085120.db2.gz DXWYRUCOXMTBBN-INIZCTEOSA-N 2 1 296.842 2.317 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1C ZINC000572140509 314121313 /nfs/dbraw/zinc/12/13/13/314121313.db2.gz MXDPYQMNOQKHIB-OIISXLGYSA-N 2 1 290.455 2.482 20 0 CEADMP CCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000573099807 314140775 /nfs/dbraw/zinc/14/07/75/314140775.db2.gz XPZVRKMAJXTMMX-OAHLLOKOSA-N 2 1 261.413 2.464 20 0 CEADMP CCc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000573099807 314140777 /nfs/dbraw/zinc/14/07/77/314140777.db2.gz XPZVRKMAJXTMMX-OAHLLOKOSA-N 2 1 261.413 2.464 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000574151973 314191330 /nfs/dbraw/zinc/19/13/30/314191330.db2.gz YWKGWSYQFWKPAB-OLZOCXBDSA-N 2 1 296.377 2.401 20 0 CEADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000576594164 314292253 /nfs/dbraw/zinc/29/22/53/314292253.db2.gz LURATPHKFMKNKR-CABCVRRESA-N 2 1 276.428 2.084 20 0 CEADMP Cn1ccnc1[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000576594164 314292255 /nfs/dbraw/zinc/29/22/55/314292255.db2.gz LURATPHKFMKNKR-CABCVRRESA-N 2 1 276.428 2.084 20 0 CEADMP Cn1ccnc1[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000576594164 314292259 /nfs/dbraw/zinc/29/22/59/314292259.db2.gz LURATPHKFMKNKR-CABCVRRESA-N 2 1 276.428 2.084 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000576866644 314318017 /nfs/dbraw/zinc/31/80/17/314318017.db2.gz FMWQVXGKELGKAP-SDDRHHMPSA-N 2 1 282.350 2.415 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000576866644 314318021 /nfs/dbraw/zinc/31/80/21/314318021.db2.gz FMWQVXGKELGKAP-SDDRHHMPSA-N 2 1 282.350 2.415 20 0 CEADMP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CCCC2(F)F)CC1 ZINC000576885852 314320323 /nfs/dbraw/zinc/32/03/23/314320323.db2.gz RBFLEEWJPDKRBL-ZDUSSCGKSA-N 2 1 290.398 2.247 20 0 CEADMP CC(C)[NH2+]CCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000577363061 314367841 /nfs/dbraw/zinc/36/78/41/314367841.db2.gz KYYUZGWNDQCHHZ-CABCVRRESA-N 3 1 255.450 2.275 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000577608554 314395318 /nfs/dbraw/zinc/39/53/18/314395318.db2.gz KNYFXUCNAPMYII-ZIAGYGMSSA-N 2 1 289.427 2.031 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H](C)O ZINC000386821224 321873836 /nfs/dbraw/zinc/87/38/36/321873836.db2.gz UEMLHXPPJGAATE-MAUKXSAKSA-N 2 1 290.451 2.443 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000580342027 322312924 /nfs/dbraw/zinc/31/29/24/322312924.db2.gz OZMGFOBILNCPKW-WCQYABFASA-N 2 1 270.380 2.250 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000580342027 322312925 /nfs/dbraw/zinc/31/29/25/322312925.db2.gz OZMGFOBILNCPKW-WCQYABFASA-N 2 1 270.380 2.250 20 0 CEADMP C[C@H]([NH2+]CCCOCC(F)(F)F)c1c[nH+]ccc1N ZINC000580421356 322316257 /nfs/dbraw/zinc/31/62/57/322316257.db2.gz QIWPKYAWWVCOCR-VIFPVBQESA-N 2 1 277.290 2.114 20 0 CEADMP c1ccc(-c2ncc(C[NH2+]C[C@H]3CCC[NH2+]C3)cn2)cc1 ZINC000580529167 322323441 /nfs/dbraw/zinc/32/34/41/322323441.db2.gz PDPLZONESYWGGO-AWEZNQCLSA-N 2 1 282.391 2.233 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cccc(OCC(F)(F)F)c1 ZINC000580647050 322332889 /nfs/dbraw/zinc/33/28/89/322332889.db2.gz MXKYFTIYSAFFBQ-UHFFFAOYSA-N 2 1 276.302 2.408 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]CCC(=O)Nc1ccccc1 ZINC000580769461 322342071 /nfs/dbraw/zinc/34/20/71/322342071.db2.gz QSQGUWGJWJQQSP-UHFFFAOYSA-N 2 1 286.379 2.200 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)c1ccccc1 ZINC000581437415 322396580 /nfs/dbraw/zinc/39/65/80/322396580.db2.gz LFYNYLVGWDDODR-GDBMZVCRSA-N 2 1 264.413 2.035 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)c1ccccc1 ZINC000581437415 322396582 /nfs/dbraw/zinc/39/65/82/322396582.db2.gz LFYNYLVGWDDODR-GDBMZVCRSA-N 2 1 264.413 2.035 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000581437415 322396586 /nfs/dbraw/zinc/39/65/86/322396586.db2.gz LFYNYLVGWDDODR-GDBMZVCRSA-N 2 1 264.413 2.035 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000581437415 322396589 /nfs/dbraw/zinc/39/65/89/322396589.db2.gz LFYNYLVGWDDODR-GDBMZVCRSA-N 2 1 264.413 2.035 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCCC[NH+](C)C)C1 ZINC000560597276 327328774 /nfs/dbraw/zinc/32/87/74/327328774.db2.gz CSYUJBOFHVZSHX-IYBDPMFKSA-N 2 1 297.487 2.203 20 0 CEADMP CCc1cnc(C[NH+]2CCC(CC[NH3+])CC2)s1 ZINC000394743824 329131283 /nfs/dbraw/zinc/13/12/83/329131283.db2.gz JMRLMJXCVWKTFK-UHFFFAOYSA-N 2 1 253.415 2.266 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCCOCC(F)(F)F)CC1 ZINC000157495116 521562487 /nfs/dbraw/zinc/56/24/87/521562487.db2.gz XPHHMNPYWQTBEH-UHFFFAOYSA-N 2 1 282.350 2.372 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCCOCC(F)(F)F)CC1 ZINC000157495116 521562492 /nfs/dbraw/zinc/56/24/92/521562492.db2.gz XPHHMNPYWQTBEH-UHFFFAOYSA-N 2 1 282.350 2.372 20 0 CEADMP COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000414331126 533753072 /nfs/dbraw/zinc/75/30/72/533753072.db2.gz CKEOSFRQOBHGAR-YOEHRIQHSA-N 2 1 274.408 2.483 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)[C@@H](C)O1 ZINC000414509678 533875079 /nfs/dbraw/zinc/87/50/79/533875079.db2.gz CMOWRVSHYHVDEM-JHJVBQTASA-N 2 1 263.385 2.051 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000157764271 519751194 /nfs/dbraw/zinc/75/11/94/519751194.db2.gz TWAORBYZRQWSNU-WFASDCNBSA-N 2 1 275.396 2.217 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000157764271 519751195 /nfs/dbraw/zinc/75/11/95/519751195.db2.gz TWAORBYZRQWSNU-WFASDCNBSA-N 2 1 275.396 2.217 20 0 CEADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000366349001 521953334 /nfs/dbraw/zinc/95/33/34/521953334.db2.gz UDLBMSICECZKST-LZWOXQAQSA-N 2 1 295.471 2.273 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000357091705 534636872 /nfs/dbraw/zinc/63/68/72/534636872.db2.gz WHLBKKOWGOTRBL-ZDUSSCGKSA-N 2 1 291.420 2.409 20 0 CEADMP CC[C@H](C)[NH+](C)CC1(C[N@H+](C)[C@@H](C)CC)COC1 ZINC000157935452 523915809 /nfs/dbraw/zinc/91/58/09/523915809.db2.gz VUJPOESNLZZFGF-KBPBESRZSA-N 2 1 256.434 2.464 20 0 CEADMP COc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000158023514 524070395 /nfs/dbraw/zinc/07/03/95/524070395.db2.gz NZUJACBCWFDZCX-CQSZACIVSA-N 2 1 277.412 2.444 20 0 CEADMP COc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000158023514 524070396 /nfs/dbraw/zinc/07/03/96/524070396.db2.gz NZUJACBCWFDZCX-CQSZACIVSA-N 2 1 277.412 2.444 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)O1 ZINC000365099320 524588329 /nfs/dbraw/zinc/58/83/29/524588329.db2.gz XRZBMGZLUDTXSE-PBHICJAKSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000157325040 524992431 /nfs/dbraw/zinc/99/24/31/524992431.db2.gz ZSFHAXKSIARBHG-SNVBAGLBSA-N 2 1 298.228 2.403 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCOCC[NH3+])C1 ZINC000357070987 525293327 /nfs/dbraw/zinc/29/33/27/525293327.db2.gz BJVHPPQFKXTIGA-DOMZBBRYSA-N 2 1 266.360 2.184 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(NC[C@H](C)C[NH+]2CCCC2)n1 ZINC000364918754 527381763 /nfs/dbraw/zinc/38/17/63/527381763.db2.gz WGMDMACJXFEMEL-AWEZNQCLSA-N 2 1 299.422 2.141 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000163362936 527398376 /nfs/dbraw/zinc/39/83/76/527398376.db2.gz MCQCSCWNBSPINK-GJZGRUSLSA-N 2 1 295.452 2.178 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000163362936 527398379 /nfs/dbraw/zinc/39/83/79/527398379.db2.gz MCQCSCWNBSPINK-GJZGRUSLSA-N 2 1 295.452 2.178 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)[C@]12CCCO2 ZINC000354982975 527951439 /nfs/dbraw/zinc/95/14/39/527951439.db2.gz NATRLVWBJIAMES-PHPOFCCKSA-N 2 1 296.455 2.031 20 0 CEADMP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116396137 528058764 /nfs/dbraw/zinc/05/87/64/528058764.db2.gz XRAMXKSZIGNSKB-KBPBESRZSA-N 2 1 285.476 2.199 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000417969957 528112064 /nfs/dbraw/zinc/11/20/64/528112064.db2.gz QNLDNFTVMGPBJN-UHFFFAOYSA-N 2 1 291.439 2.210 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)o1 ZINC000442917230 528212649 /nfs/dbraw/zinc/21/26/49/528212649.db2.gz CTPUAWWSPMHTCH-LBPRGKRZSA-N 2 1 280.368 2.017 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1([NH3+])CCCCC1 ZINC000418195540 528356233 /nfs/dbraw/zinc/35/62/33/528356233.db2.gz GHDVGUZEMAGRJT-AWEZNQCLSA-N 2 1 298.475 2.068 20 0 CEADMP CCCNC(=O)CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000411316408 528360142 /nfs/dbraw/zinc/36/01/42/528360142.db2.gz WOVHYYLUZLWBIZ-INIZCTEOSA-N 2 1 295.471 2.101 20 0 CEADMP CCCCOCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159896879 528587557 /nfs/dbraw/zinc/58/75/57/528587557.db2.gz ZOIPMKAWNFRJGP-HUUCEWRRSA-N 2 1 254.418 2.410 20 0 CEADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000412115877 528742846 /nfs/dbraw/zinc/74/28/46/528742846.db2.gz BHDUWQWNOQCTGH-VGWMRTNUSA-N 2 1 295.471 2.046 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000412115877 528742854 /nfs/dbraw/zinc/74/28/54/528742854.db2.gz BHDUWQWNOQCTGH-VGWMRTNUSA-N 2 1 295.471 2.046 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccoc1C ZINC000414434222 529099468 /nfs/dbraw/zinc/09/94/68/529099468.db2.gz CUPAMRCYJZIRIC-KRWDZBQOSA-N 2 1 293.455 2.436 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CC[C@H]2C2CC2)CCCO1 ZINC000348301629 538858561 /nfs/dbraw/zinc/85/85/61/538858561.db2.gz LQJFMKVSNXCWJY-KBMXLJTQSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CC[C@H]2C2CC2)CCCO1 ZINC000348301629 538858564 /nfs/dbraw/zinc/85/85/64/538858564.db2.gz LQJFMKVSNXCWJY-KBMXLJTQSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000571531324 574464312 /nfs/dbraw/zinc/46/43/12/574464312.db2.gz JGGKUPCSCGBDDX-XIRDDKMYSA-N 2 1 275.440 2.362 20 0 CEADMP CCC/C=C/C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000729357783 574486136 /nfs/dbraw/zinc/48/61/36/574486136.db2.gz QCGPYMOYDFWCNK-YCABEKBOSA-N 2 1 295.471 2.217 20 0 CEADMP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000729931961 574496168 /nfs/dbraw/zinc/49/61/68/574496168.db2.gz LZHLMGWLRMDSJM-LBPRGKRZSA-N 2 1 293.802 2.416 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000729932008 574496208 /nfs/dbraw/zinc/49/62/08/574496208.db2.gz RABSLRFTTXGCQK-AWEZNQCLSA-N 2 1 279.384 2.253 20 0 CEADMP CC[C@H]1CC(=O)N(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC000755920066 574788094 /nfs/dbraw/zinc/78/80/94/574788094.db2.gz CMRZEHVPSRKOBE-HNNXBMFYSA-N 2 1 295.471 2.255 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1COc2ccccc2O1 ZINC000738877005 574883067 /nfs/dbraw/zinc/88/30/67/574883067.db2.gz NNNMXDVRHRATMW-HNNXBMFYSA-N 2 1 290.407 2.100 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000743273459 575045925 /nfs/dbraw/zinc/04/59/25/575045925.db2.gz RAYXDWBBHXBKMM-HRCADAONSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000743273459 575045926 /nfs/dbraw/zinc/04/59/26/575045926.db2.gz RAYXDWBBHXBKMM-HRCADAONSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)[C@H](C)C1 ZINC000753371089 575324680 /nfs/dbraw/zinc/32/46/80/575324680.db2.gz KLFGWGTVADJNPU-ZBFHGGJFSA-N 2 1 299.422 2.087 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)[C@H](C)C1 ZINC000753371089 575324681 /nfs/dbraw/zinc/32/46/81/575324681.db2.gz KLFGWGTVADJNPU-ZBFHGGJFSA-N 2 1 299.422 2.087 20 0 CEADMP CC(C)[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000962385085 613945828 /nfs/dbraw/zinc/94/58/28/613945828.db2.gz NECXFFVBODXYQW-GPANFISMSA-N 2 1 295.471 2.142 20 0 CEADMP CC(C)[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000962385086 613946771 /nfs/dbraw/zinc/94/67/71/613946771.db2.gz NECXFFVBODXYQW-UYSNPLJNSA-N 2 1 295.471 2.142 20 0 CEADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948040263 614042281 /nfs/dbraw/zinc/04/22/81/614042281.db2.gz OHZNQFRZUOJDAB-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948755777 614094597 /nfs/dbraw/zinc/09/45/97/614094597.db2.gz LANIEBWHSKEPKG-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970529141 614321669 /nfs/dbraw/zinc/32/16/69/614321669.db2.gz MTNLIXPEPVXJOB-HOCLYGCPSA-N 2 1 295.471 2.094 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000983492961 614635587 /nfs/dbraw/zinc/63/55/87/614635587.db2.gz TXNFDWWVKRWDAU-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942558663 614746241 /nfs/dbraw/zinc/74/62/41/614746241.db2.gz ZNAXWGUMMYUWQI-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000949801124 614994020 /nfs/dbraw/zinc/99/40/20/614994020.db2.gz NYQFLNPEPNXFHB-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CC(C)C)C1 ZINC000980485457 615110951 /nfs/dbraw/zinc/11/09/51/615110951.db2.gz KBGGXGJOSAKXQV-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC(C)C)C1 ZINC000980485457 615110952 /nfs/dbraw/zinc/11/09/52/615110952.db2.gz KBGGXGJOSAKXQV-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674056 615135383 /nfs/dbraw/zinc/13/53/83/615135383.db2.gz OEWLVJQPUOKGAJ-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000935359697 625370701 /nfs/dbraw/zinc/37/07/01/625370701.db2.gz KSCUSDHDGQZYDX-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC001024278969 625496937 /nfs/dbraw/zinc/49/69/37/625496937.db2.gz WGYOFADJAHXNND-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNc2cc(C)[nH+]c(N)n2)c1 ZINC000063247966 622549756 /nfs/dbraw/zinc/54/97/56/622549756.db2.gz CWOFPRFGUJTWCW-UHFFFAOYSA-N 2 1 285.395 2.431 20 0 CEADMP Cc1nccc(N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000306620437 622708778 /nfs/dbraw/zinc/70/87/78/622708778.db2.gz UTRPDHSVHGANHH-QLPKVWCKSA-N 2 1 280.375 2.327 20 0 CEADMP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000890879116 623034798 /nfs/dbraw/zinc/03/47/98/623034798.db2.gz OZOUWRHOYZBJNP-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000050245236 623373558 /nfs/dbraw/zinc/37/35/58/623373558.db2.gz XOQVHXJQOPXMPH-JTQLQIEISA-N 2 1 258.287 2.486 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000050245236 623373566 /nfs/dbraw/zinc/37/35/66/623373566.db2.gz XOQVHXJQOPXMPH-JTQLQIEISA-N 2 1 258.287 2.486 20 0 CEADMP CCCCOC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247295992 623421606 /nfs/dbraw/zinc/42/16/06/623421606.db2.gz HQUZDQBUOCYSHH-UONOGXRCSA-N 2 1 270.417 2.134 20 0 CEADMP CCCCOC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247295992 623421610 /nfs/dbraw/zinc/42/16/10/623421610.db2.gz HQUZDQBUOCYSHH-UONOGXRCSA-N 2 1 270.417 2.134 20 0 CEADMP CCCCOC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247295992 623421613 /nfs/dbraw/zinc/42/16/13/623421613.db2.gz HQUZDQBUOCYSHH-UONOGXRCSA-N 2 1 270.417 2.134 20 0 CEADMP CCCCOC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247295992 623421616 /nfs/dbraw/zinc/42/16/16/623421616.db2.gz HQUZDQBUOCYSHH-UONOGXRCSA-N 2 1 270.417 2.134 20 0 CEADMP CCn1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000050539395 623440269 /nfs/dbraw/zinc/44/02/69/623440269.db2.gz OFXSBWSQCFIDLO-AWEZNQCLSA-N 2 1 264.417 2.257 20 0 CEADMP CCn1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000050539395 623440273 /nfs/dbraw/zinc/44/02/73/623440273.db2.gz OFXSBWSQCFIDLO-AWEZNQCLSA-N 2 1 264.417 2.257 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308362891 623674250 /nfs/dbraw/zinc/67/42/50/623674250.db2.gz IDERPVXDOATZLA-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308362891 623674254 /nfs/dbraw/zinc/67/42/54/623674254.db2.gz IDERPVXDOATZLA-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1C[C@@H]2CN(C[C@@H]3CCC4(CCCC4)O3)C[C@]2(C)C1 ZINC000933732539 623981683 /nfs/dbraw/zinc/98/16/83/623981683.db2.gz RCURQZPEYAVTMF-PMPSAXMXSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCC4(CCCC4)O3)C[C@]2(C)C1 ZINC000933732539 623981692 /nfs/dbraw/zinc/98/16/92/623981692.db2.gz RCURQZPEYAVTMF-PMPSAXMXSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C[C@]2(C)C1 ZINC000933732539 623981693 /nfs/dbraw/zinc/98/16/93/623981693.db2.gz RCURQZPEYAVTMF-PMPSAXMXSA-N 2 1 278.440 2.362 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C3CC(OC(C)(C)C)C3)C[C@]2(C)C1 ZINC000933734173 623982865 /nfs/dbraw/zinc/98/28/65/623982865.db2.gz PPQMOMJQPPHKTF-WOICTCIZSA-N 2 1 266.429 2.216 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C3CC(OC(C)(C)C)C3)C[C@]2(C)C1 ZINC000933734173 623982869 /nfs/dbraw/zinc/98/28/69/623982869.db2.gz PPQMOMJQPPHKTF-WOICTCIZSA-N 2 1 266.429 2.216 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C3CC(OC(C)(C)C)C3)C[C@]2(C)C1 ZINC000933734173 623982874 /nfs/dbraw/zinc/98/28/74/623982874.db2.gz PPQMOMJQPPHKTF-WOICTCIZSA-N 2 1 266.429 2.216 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C3CC(OC(C)(C)C)C3)C[C@]2(C)C1 ZINC000933734173 623982875 /nfs/dbraw/zinc/98/28/75/623982875.db2.gz PPQMOMJQPPHKTF-WOICTCIZSA-N 2 1 266.429 2.216 20 0 CEADMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C(C)(C)C)n1 ZINC000261984174 624073410 /nfs/dbraw/zinc/07/34/10/624073410.db2.gz JNOBEVXCRWQNDO-UHFFFAOYSA-N 2 1 290.455 2.293 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2CO)CC1 ZINC000891912332 624091183 /nfs/dbraw/zinc/09/11/83/624091183.db2.gz AHVFCUBLCSHRST-UHFFFAOYSA-N 2 1 277.412 2.131 20 0 CEADMP COC(=O)C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC000934030233 624174806 /nfs/dbraw/zinc/17/48/06/624174806.db2.gz BSTXPGJQIJLZBU-STQMWFEESA-N 2 1 270.417 2.038 20 0 CEADMP CC[NH+](CC)[C@@H](CNc1nc(N)cc(C)[nH+]1)c1ccco1 ZINC000892074785 624296756 /nfs/dbraw/zinc/29/67/56/624296756.db2.gz JWSHFDUVSSFZFO-LBPRGKRZSA-N 2 1 289.383 2.455 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@@]2(C)Br)C1 ZINC000892142020 624349485 /nfs/dbraw/zinc/34/94/85/624349485.db2.gz BVJTULCJCOSACA-RWMBFGLXSA-N 2 1 289.261 2.434 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@@]2(C)Br)C1 ZINC000892142020 624349489 /nfs/dbraw/zinc/34/94/89/624349489.db2.gz BVJTULCJCOSACA-RWMBFGLXSA-N 2 1 289.261 2.434 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]2(C)Br)C1 ZINC000892142020 624349495 /nfs/dbraw/zinc/34/94/95/624349495.db2.gz BVJTULCJCOSACA-RWMBFGLXSA-N 2 1 289.261 2.434 20 0 CEADMP CC1(C)CCC[N@H+]1CCNC(=[NH2+])N1CCCCCC1 ZINC000849038135 624717162 /nfs/dbraw/zinc/71/71/62/624717162.db2.gz IXBYMSLWUPMAGR-UHFFFAOYSA-N 2 1 266.433 2.261 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCC)C1 ZINC001023402673 625005015 /nfs/dbraw/zinc/00/50/15/625005015.db2.gz QMYUJOLEPRPBOK-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC)C1 ZINC001023402673 625005022 /nfs/dbraw/zinc/00/50/22/625005022.db2.gz QMYUJOLEPRPBOK-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC)C1 ZINC001023402673 625005023 /nfs/dbraw/zinc/00/50/23/625005023.db2.gz QMYUJOLEPRPBOK-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP COc1ccnc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000926573542 625138774 /nfs/dbraw/zinc/13/87/74/625138774.db2.gz NJZQSRXTELHVAJ-KBPBESRZSA-N 2 1 277.412 2.473 20 0 CEADMP CNc1ccccc1CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000902067624 634461545 /nfs/dbraw/zinc/46/15/45/634461545.db2.gz ZHHWNQBCILAQAZ-JKSUJKDBSA-N 2 1 259.397 2.445 20 0 CEADMP CNc1ccccc1C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000902167516 634511637 /nfs/dbraw/zinc/51/16/37/634511637.db2.gz ULAAWCPQLWGZQS-UHFFFAOYSA-N 2 1 291.439 2.319 20 0 CEADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001007457506 627371571 /nfs/dbraw/zinc/37/15/71/627371571.db2.gz OWQGMGPWVMFIKB-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001007457506 627371574 /nfs/dbraw/zinc/37/15/74/627371574.db2.gz OWQGMGPWVMFIKB-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001007457506 627371579 /nfs/dbraw/zinc/37/15/79/627371579.db2.gz OWQGMGPWVMFIKB-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]CC1CC[NH+](C)CC1 ZINC000892675019 627392624 /nfs/dbraw/zinc/39/26/24/627392624.db2.gz NFUIVOIZYYTZHA-BZUAXINKSA-N 3 1 281.488 2.284 20 0 CEADMP CC(C)[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000924592808 627662638 /nfs/dbraw/zinc/66/26/38/627662638.db2.gz SGKWDKIRHSLALB-CVEARBPZSA-N 2 1 266.429 2.264 20 0 CEADMP CCCSC[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000892724783 627726243 /nfs/dbraw/zinc/72/62/43/627726243.db2.gz WPORUMGANBGLLE-ZDUSSCGKSA-N 2 1 274.474 2.219 20 0 CEADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000892947430 627879999 /nfs/dbraw/zinc/87/99/99/627879999.db2.gz CHGOHPXNAFUHEY-INIZCTEOSA-N 3 1 267.461 2.182 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000892947430 627880002 /nfs/dbraw/zinc/88/00/02/627880002.db2.gz CHGOHPXNAFUHEY-INIZCTEOSA-N 3 1 267.461 2.182 20 0 CEADMP Cc1cc(N)nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000893008993 627940364 /nfs/dbraw/zinc/94/03/64/627940364.db2.gz NNVZIIFXLGNMTR-DZGCQCFKSA-N 2 1 283.379 2.225 20 0 CEADMP Cc1cc(N)nc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[nH+]1 ZINC000893008993 627940365 /nfs/dbraw/zinc/94/03/65/627940365.db2.gz NNVZIIFXLGNMTR-DZGCQCFKSA-N 2 1 283.379 2.225 20 0 CEADMP Cc1cc(N)nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[nH+]1 ZINC000893008993 627940367 /nfs/dbraw/zinc/94/03/67/627940367.db2.gz NNVZIIFXLGNMTR-DZGCQCFKSA-N 2 1 283.379 2.225 20 0 CEADMP Cc1[nH+]ccn1CCCCN[C@@H](C)C(=O)OC(C)(C)C ZINC000893029526 627954859 /nfs/dbraw/zinc/95/48/59/627954859.db2.gz MQRDTXUYILQKNZ-LBPRGKRZSA-N 2 1 281.400 2.292 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)N1CCCCC1 ZINC000902365025 634619678 /nfs/dbraw/zinc/61/96/78/634619678.db2.gz WMCLMPDGHKXMCD-CABCVRRESA-N 2 1 267.461 2.229 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000925531044 628131660 /nfs/dbraw/zinc/13/16/60/628131660.db2.gz WBZDRTYTFBTVND-ZDUSSCGKSA-N 2 1 254.324 2.237 20 0 CEADMP C(N[C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000925536851 628147326 /nfs/dbraw/zinc/14/73/26/628147326.db2.gz HPIIXCQWEASJME-WBAXXEDZSA-N 2 1 291.483 2.229 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000925536851 628147328 /nfs/dbraw/zinc/14/73/28/628147328.db2.gz HPIIXCQWEASJME-WBAXXEDZSA-N 3 1 291.483 2.229 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000925536851 628147331 /nfs/dbraw/zinc/14/73/31/628147331.db2.gz HPIIXCQWEASJME-WBAXXEDZSA-N 3 1 291.483 2.229 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000902394795 634634386 /nfs/dbraw/zinc/63/43/86/634634386.db2.gz BVGSEQMTKAHORR-SJORKVTESA-N 3 1 293.499 2.476 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000902394795 634634390 /nfs/dbraw/zinc/63/43/90/634634390.db2.gz BVGSEQMTKAHORR-SJORKVTESA-N 2 1 293.499 2.476 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000902394795 634634393 /nfs/dbraw/zinc/63/43/93/634634393.db2.gz BVGSEQMTKAHORR-SJORKVTESA-N 2 1 293.499 2.476 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000925543682 628178334 /nfs/dbraw/zinc/17/83/34/628178334.db2.gz NQENSDVAOCOFRD-RDJZCZTQSA-N 2 1 288.435 2.465 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000902397006 634635550 /nfs/dbraw/zinc/63/55/50/634635550.db2.gz LQZSENNPHIVQOH-IRXDYDNUSA-N 3 1 289.467 2.314 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902391903 634631826 /nfs/dbraw/zinc/63/18/26/634631826.db2.gz IRVMCNHWDFSDJI-ZIAGYGMSSA-N 2 1 267.461 2.227 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925576671 628253733 /nfs/dbraw/zinc/25/37/33/628253733.db2.gz YHGDYZWMDPDMKH-RRFJBIMHSA-N 2 1 267.461 2.356 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925576671 628253737 /nfs/dbraw/zinc/25/37/37/628253737.db2.gz YHGDYZWMDPDMKH-RRFJBIMHSA-N 2 1 267.461 2.356 20 0 CEADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000925609420 628291580 /nfs/dbraw/zinc/29/15/80/628291580.db2.gz UAJKVTDFYCNAIY-ZIAGYGMSSA-N 2 1 275.396 2.230 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925613434 628296928 /nfs/dbraw/zinc/29/69/28/628296928.db2.gz DAICVPPVGVSSEM-IPYPFGDCSA-N 2 1 278.396 2.356 20 0 CEADMP CSc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)ccn1 ZINC000925617504 628305520 /nfs/dbraw/zinc/30/55/20/628305520.db2.gz WJGXCCUBGCYFHF-NEPJUHHUSA-N 2 1 263.410 2.163 20 0 CEADMP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925620121 628309822 /nfs/dbraw/zinc/30/98/22/628309822.db2.gz UIUBXAUAFDMAMW-CVEARBPZSA-N 2 1 299.422 2.491 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]C(C)C)CC1 ZINC001026503454 628340143 /nfs/dbraw/zinc/34/01/43/628340143.db2.gz VPEUUELEAQLFEG-UYSNPLJNSA-N 2 1 295.471 2.286 20 0 CEADMP CN(C)C1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCC1 ZINC000925643640 628341084 /nfs/dbraw/zinc/34/10/84/628341084.db2.gz GQOCESSLYICMOQ-HOTGVXAUSA-N 2 1 279.472 2.229 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925644700 628342788 /nfs/dbraw/zinc/34/27/88/628342788.db2.gz LDHVVKACLXUZMU-SJORKVTESA-N 2 1 288.435 2.163 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000120322418 628363337 /nfs/dbraw/zinc/36/33/37/628363337.db2.gz VYPXURNRGMILLR-KKUMJFAQSA-N 2 1 255.450 2.035 20 0 CEADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000120322418 628363341 /nfs/dbraw/zinc/36/33/41/628363341.db2.gz VYPXURNRGMILLR-KKUMJFAQSA-N 2 1 255.450 2.035 20 0 CEADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ncnn2-c2ccccc2)C1 ZINC000925655764 628364017 /nfs/dbraw/zinc/36/40/17/628364017.db2.gz HPZOFEQMFPVVAR-KBPBESRZSA-N 2 1 299.422 2.263 20 0 CEADMP OC[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccc(F)cc1 ZINC000925690466 628505434 /nfs/dbraw/zinc/50/54/34/628505434.db2.gz LRGZEWDFTWNLOC-ZBFHGGJFSA-N 2 1 292.398 2.166 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2NCCc3ccccc32)C[C@@H]([NH3+])C1 ZINC000925699998 628536504 /nfs/dbraw/zinc/53/65/04/628536504.db2.gz MPHYNLPTEAZYIU-VYDXJSESSA-N 2 1 287.451 2.369 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(O)cc(F)c1 ZINC000925706789 628553223 /nfs/dbraw/zinc/55/32/23/628553223.db2.gz KMZASRYKNYPIMI-NSHDSACASA-N 2 1 264.344 2.444 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473427 634665393 /nfs/dbraw/zinc/66/53/93/634665393.db2.gz YBISOMJAZHGNPJ-SXXASDTRSA-N 2 1 299.462 2.380 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473428 634665846 /nfs/dbraw/zinc/66/58/46/634665846.db2.gz YBISOMJAZHGNPJ-YCVVXREPSA-N 2 1 299.462 2.380 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC4(CCCC4)O3)C[C@@H]2C1 ZINC000931435194 628578938 /nfs/dbraw/zinc/57/89/38/628578938.db2.gz AAOONOHDUSJMDY-PMPSAXMXSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC4(CCCC4)O3)C[C@@H]2C1 ZINC000931435194 628578941 /nfs/dbraw/zinc/57/89/41/628578941.db2.gz AAOONOHDUSJMDY-PMPSAXMXSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C[C@@H]2C1 ZINC000931435194 628578945 /nfs/dbraw/zinc/57/89/45/628578945.db2.gz AAOONOHDUSJMDY-PMPSAXMXSA-N 2 1 278.440 2.362 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCCC[NH2+]2)cn1 ZINC000902479413 634669704 /nfs/dbraw/zinc/66/97/04/634669704.db2.gz XMFPICOMXIDUGK-UKRRQHHQSA-N 2 1 277.412 2.143 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893486468 628649236 /nfs/dbraw/zinc/64/92/36/628649236.db2.gz AEFAZKSPRVKZAI-YCPHGPKFSA-N 2 1 296.455 2.381 20 0 CEADMP Cn1cc[nH+]c1[C@@H]1CCCN(c2cc(N)[nH+]cc2Cl)C1 ZINC000893532716 628686715 /nfs/dbraw/zinc/68/67/15/628686715.db2.gz WVZLDDCHSBNBJF-SNVBAGLBSA-N 2 1 291.786 2.435 20 0 CEADMP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC(F)(F)C1 ZINC000925733053 628688058 /nfs/dbraw/zinc/68/80/58/628688058.db2.gz FMRCMKXSGSTTDT-XQQFMLRXSA-N 2 1 288.382 2.169 20 0 CEADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000902454195 634676167 /nfs/dbraw/zinc/67/61/67/634676167.db2.gz QZAISOXAGWLLJW-UPJWGTAASA-N 2 1 272.458 2.017 20 0 CEADMP Cc1cc(N)nc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000893589494 628764361 /nfs/dbraw/zinc/76/43/61/628764361.db2.gz JOTBDNWDSRHINM-OAHLLOKOSA-N 2 1 297.406 2.301 20 0 CEADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cscc1Cl ZINC000925772632 628778281 /nfs/dbraw/zinc/77/82/81/628778281.db2.gz TUZPIQQPJGENJQ-MKPLZMMCSA-N 2 1 274.817 2.243 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)[C@H]1CCCC[NH2+]1 ZINC000925773216 628782264 /nfs/dbraw/zinc/78/22/64/628782264.db2.gz MNKBKUONPAPRSQ-MELADBBJSA-N 2 1 252.402 2.066 20 0 CEADMP COc1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000258929545 628783889 /nfs/dbraw/zinc/78/38/89/628783889.db2.gz GZBUIMJMEFNEOP-NSHDSACASA-N 2 1 268.788 2.438 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1c[nH+]ccc1N ZINC000925775636 628795728 /nfs/dbraw/zinc/79/57/28/628795728.db2.gz REUJBCAVOKKOSD-OLZOCXBDSA-N 2 1 275.396 2.494 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000925783102 628814430 /nfs/dbraw/zinc/81/44/30/628814430.db2.gz CMZGVFRZTRNOQJ-BFVZDQMLSA-N 2 1 266.335 2.397 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000094371398 628814645 /nfs/dbraw/zinc/81/46/45/628814645.db2.gz VGFYCTPFBNVJFQ-HUUCEWRRSA-N 2 1 284.444 2.035 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C12CCCCC2 ZINC000925783364 628816180 /nfs/dbraw/zinc/81/61/80/628816180.db2.gz NKWJWUJFOQWGCM-KBXIAJHMSA-N 2 1 266.429 2.312 20 0 CEADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000925785770 628824368 /nfs/dbraw/zinc/82/43/68/628824368.db2.gz QYWNUZBQVVFTPU-RGCMKSIDSA-N 2 1 292.423 2.393 20 0 CEADMP C[C@@H](Cc1cccs1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925792358 628839245 /nfs/dbraw/zinc/83/92/45/628839245.db2.gz GDJYBVCDHODKPI-UONOGXRCSA-N 2 1 294.464 2.427 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1NCCCCCC1CC[NH2+]CC1 ZINC000925806382 628856792 /nfs/dbraw/zinc/85/67/92/628856792.db2.gz CNSUNHVLQHBRPC-OAHLLOKOSA-N 2 1 267.461 2.277 20 0 CEADMP CC[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cccc(OC)n1 ZINC000925814418 628869395 /nfs/dbraw/zinc/86/93/95/628869395.db2.gz LEFZCRFDYRQYAK-QWHCGFSZSA-N 2 1 286.379 2.342 20 0 CEADMP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000925829059 628921156 /nfs/dbraw/zinc/92/11/56/628921156.db2.gz AKMDQZSLSPFOIJ-HUUCEWRRSA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261573642 628939582 /nfs/dbraw/zinc/93/95/82/628939582.db2.gz VYFBKFHVRMWKCU-ZJIFWQFVSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000261590567 628942908 /nfs/dbraw/zinc/94/29/08/628942908.db2.gz LJFBBMNENUYMGO-JQWIXIFHSA-N 2 1 270.323 2.376 20 0 CEADMP Cn1nc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925874873 628974231 /nfs/dbraw/zinc/97/42/31/628974231.db2.gz WBNFKLPCUZANKE-BZUAXINKSA-N 2 1 288.439 2.308 20 0 CEADMP c1cn(-c2ccccc2)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000261688549 628989703 /nfs/dbraw/zinc/98/97/03/628989703.db2.gz AUHUJWJNTMDSQG-UHFFFAOYSA-N 2 1 296.418 2.448 20 0 CEADMP CN(CCC[N@@H+](C)Cc1ccco1)c1cc[nH+]cc1CO ZINC000893848970 629017666 /nfs/dbraw/zinc/01/76/66/629017666.db2.gz SLVRBUBJJXCYPG-UHFFFAOYSA-N 2 1 289.379 2.125 20 0 CEADMP COC[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)C1CCCC1 ZINC000902485308 634701685 /nfs/dbraw/zinc/70/16/85/634701685.db2.gz ZOIINACQYVVFBE-HUUCEWRRSA-N 2 1 254.418 2.313 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)Nc1cc(NC)ncn1 ZINC000893897743 629032610 /nfs/dbraw/zinc/03/26/10/629032610.db2.gz XCPPLKJAAXTXJD-NSHDSACASA-N 2 1 251.378 2.051 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)Nc1cc(NC)[nH+]cn1 ZINC000893897743 629032612 /nfs/dbraw/zinc/03/26/12/629032612.db2.gz XCPPLKJAAXTXJD-NSHDSACASA-N 2 1 251.378 2.051 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)Nc1cc(NC)[nH+]cn1 ZINC000893897743 629032613 /nfs/dbraw/zinc/03/26/13/629032613.db2.gz XCPPLKJAAXTXJD-NSHDSACASA-N 2 1 251.378 2.051 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000902514540 634708575 /nfs/dbraw/zinc/70/85/75/634708575.db2.gz PGVKJLSHQJDNAZ-ILXRZTDVSA-N 2 1 269.477 2.458 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC000927768212 629186999 /nfs/dbraw/zinc/18/69/99/629186999.db2.gz IGGIIMXFXUVCAT-HNNXBMFYSA-N 2 1 275.396 2.217 20 0 CEADMP C[NH+]1CCC(C[NH2+]CCc2ccc3cn[nH]c3c2)CC1 ZINC000894294172 629313015 /nfs/dbraw/zinc/31/30/15/629313015.db2.gz LGLBSYAUNOFVOX-UHFFFAOYSA-N 2 1 272.396 2.037 20 0 CEADMP CCSc1ccccc1C[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000924993712 629331358 /nfs/dbraw/zinc/33/13/58/629331358.db2.gz QMUGQXDCSVHKPC-ZFWWWQNUSA-N 2 1 296.480 2.242 20 0 CEADMP C[C@H](C[NH2+]CCCN1CCC[N@@H+](C)CC1)C(C)(C)C ZINC000894378971 629409903 /nfs/dbraw/zinc/40/99/03/629409903.db2.gz ZTHNNRXWQUSVQD-OAHLLOKOSA-N 2 1 269.477 2.286 20 0 CEADMP Cc1ccc(C[N@H+](CCN(C)C)CC2CC[NH+](C)CC2)o1 ZINC000894456403 629470425 /nfs/dbraw/zinc/47/04/25/629470425.db2.gz QBIVIKPVCMTTNM-UHFFFAOYSA-N 2 1 293.455 2.293 20 0 CEADMP Cc1ccc(C[N@@H+](CCN(C)C)CC2CC[NH+](C)CC2)o1 ZINC000894456403 629470427 /nfs/dbraw/zinc/47/04/27/629470427.db2.gz QBIVIKPVCMTTNM-UHFFFAOYSA-N 2 1 293.455 2.293 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC3(C2)CO[C@H](C)C3)C1 ZINC000894455862 629472658 /nfs/dbraw/zinc/47/26/58/629472658.db2.gz MGQQWLBUOJDNPH-QVOMUQBLSA-N 2 1 266.429 2.264 20 0 CEADMP CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)o1 ZINC000894496340 629497472 /nfs/dbraw/zinc/49/74/72/629497472.db2.gz OYVOPJBBZBMWAN-OCCSQVGLSA-N 2 1 266.385 2.450 20 0 CEADMP Cc1ccc(OCC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000795331443 629518562 /nfs/dbraw/zinc/51/85/62/629518562.db2.gz DTDVLZQRLWOTIG-KRWDZBQOSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1ccc(OCC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000795331443 629518564 /nfs/dbraw/zinc/51/85/64/629518564.db2.gz DTDVLZQRLWOTIG-KRWDZBQOSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000795331443 629518567 /nfs/dbraw/zinc/51/85/67/629518567.db2.gz DTDVLZQRLWOTIG-KRWDZBQOSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000795331443 629518572 /nfs/dbraw/zinc/51/85/72/629518572.db2.gz DTDVLZQRLWOTIG-KRWDZBQOSA-N 2 1 274.408 2.401 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000894566735 629536522 /nfs/dbraw/zinc/53/65/22/629536522.db2.gz NRMOISZPYZJAGF-ZDUSSCGKSA-N 2 1 288.395 2.185 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000894566735 629536526 /nfs/dbraw/zinc/53/65/26/629536526.db2.gz NRMOISZPYZJAGF-ZDUSSCGKSA-N 2 1 288.395 2.185 20 0 CEADMP Cc1cc(N)nc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000894638481 629568261 /nfs/dbraw/zinc/56/82/61/629568261.db2.gz BTULNSNUUGBIKB-AWEZNQCLSA-N 2 1 283.379 2.054 20 0 CEADMP Cc1cc(N)nc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)[nH+]1 ZINC000894638481 629568266 /nfs/dbraw/zinc/56/82/66/629568266.db2.gz BTULNSNUUGBIKB-AWEZNQCLSA-N 2 1 283.379 2.054 20 0 CEADMP Cn1ccnc1[C@H]1[N@H+](CC2CC[NH+](C)CC2)CC1(C)C ZINC000894682558 629588029 /nfs/dbraw/zinc/58/80/29/629588029.db2.gz AMHSQLVPYAPVIV-CQSZACIVSA-N 2 1 276.428 2.145 20 0 CEADMP Cn1ccnc1[C@H]1[N@@H+](CC2CC[NH+](C)CC2)CC1(C)C ZINC000894682558 629588031 /nfs/dbraw/zinc/58/80/31/629588031.db2.gz AMHSQLVPYAPVIV-CQSZACIVSA-N 2 1 276.428 2.145 20 0 CEADMP CCn1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(C)n1 ZINC000894807033 629652041 /nfs/dbraw/zinc/65/20/41/629652041.db2.gz NTNYVSFHPDUBHC-UHFFFAOYSA-N 2 1 264.417 2.175 20 0 CEADMP COCCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000894861277 629698622 /nfs/dbraw/zinc/69/86/22/629698622.db2.gz RGOKVIAITNYRLC-AWEZNQCLSA-N 2 1 296.411 2.126 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795901649 629705008 /nfs/dbraw/zinc/70/50/08/629705008.db2.gz LTGQULWSFDTEAD-UHFFFAOYSA-N 2 1 293.411 2.105 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796325476 629848709 /nfs/dbraw/zinc/84/87/09/629848709.db2.gz VIILTVWCQBGXIR-NEPJUHHUSA-N 2 1 283.441 2.109 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC2(CCCC2)O1 ZINC000895122293 629925220 /nfs/dbraw/zinc/92/52/20/629925220.db2.gz CFQHTMAXBNIGEF-CQSZACIVSA-N 2 1 266.429 2.362 20 0 CEADMP O=c1cc[nH]c2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccc12 ZINC000895205279 630033009 /nfs/dbraw/zinc/03/30/09/630033009.db2.gz POOUWKJMNFVSLT-CABCVRRESA-N 2 1 297.402 2.245 20 0 CEADMP O=c1cc[nH]c2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc12 ZINC000895205279 630033012 /nfs/dbraw/zinc/03/30/12/630033012.db2.gz POOUWKJMNFVSLT-CABCVRRESA-N 2 1 297.402 2.245 20 0 CEADMP CCC(C)(C)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000895212500 630036188 /nfs/dbraw/zinc/03/61/88/630036188.db2.gz YYNOIVXAJRLVMH-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C(F)(F)F ZINC000796875984 630051115 /nfs/dbraw/zinc/05/11/15/630051115.db2.gz UVMARRROJPTMPV-IRCOFANPSA-N 2 1 280.334 2.026 20 0 CEADMP C[C@H](CC[NH2+]Cc1c(C2CCC2)cnn1C)[NH+](C)C ZINC000895291657 630081627 /nfs/dbraw/zinc/08/16/27/630081627.db2.gz HYKCEPKBUGRRFB-GFCCVEGCSA-N 2 1 264.417 2.117 20 0 CEADMP C[C@@H](CC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)[NH+](C)C ZINC000895292648 630084470 /nfs/dbraw/zinc/08/44/70/630084470.db2.gz SVMGFILNLNYVJB-WMLDXEAASA-N 2 1 292.423 2.284 20 0 CEADMP C[C@H](CC[NH2+]CC1=Cc2ccccc2OC1)[NH+](C)C ZINC000895297772 630086132 /nfs/dbraw/zinc/08/61/32/630086132.db2.gz OQYMYXXRYXYJGF-CYBMUJFWSA-N 2 1 260.381 2.392 20 0 CEADMP CCn1cc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)n1 ZINC000895479924 630213929 /nfs/dbraw/zinc/21/39/29/630213929.db2.gz XPOGAPQUZNKXKA-MRXNPFEDSA-N 2 1 290.455 2.423 20 0 CEADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C)n1 ZINC000895479924 630213931 /nfs/dbraw/zinc/21/39/31/630213931.db2.gz XPOGAPQUZNKXKA-MRXNPFEDSA-N 2 1 290.455 2.423 20 0 CEADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)n1 ZINC000895479924 630213933 /nfs/dbraw/zinc/21/39/33/630213933.db2.gz XPOGAPQUZNKXKA-MRXNPFEDSA-N 2 1 290.455 2.423 20 0 CEADMP COc1ncncc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000895683517 630305410 /nfs/dbraw/zinc/30/54/10/630305410.db2.gz MZIBPVBJNWDVAR-UHFFFAOYSA-N 2 1 292.427 2.183 20 0 CEADMP COc1ncncc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895683517 630305412 /nfs/dbraw/zinc/30/54/12/630305412.db2.gz MZIBPVBJNWDVAR-UHFFFAOYSA-N 2 1 292.427 2.183 20 0 CEADMP OC1CC[NH+](CCC[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902762236 634816106 /nfs/dbraw/zinc/81/61/06/634816106.db2.gz JDCDBLJTDFSVOC-KBPBESRZSA-N 2 1 266.429 2.002 20 0 CEADMP COCC[NH+]1CCC([NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902766927 634818380 /nfs/dbraw/zinc/81/83/80/634818380.db2.gz URZRLSMXDCDTEH-KBPBESRZSA-N 2 1 266.429 2.266 20 0 CEADMP c1ccc2c(NC[C@H]3CC[N@H+]3C3CCOCC3)cc[nH+]c2c1 ZINC000896517414 630587232 /nfs/dbraw/zinc/58/72/32/630587232.db2.gz FLMRUIAGQHJYFF-OAHLLOKOSA-N 2 1 297.402 2.322 20 0 CEADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000904316681 635563397 /nfs/dbraw/zinc/56/33/97/635563397.db2.gz PRLQNAZEEZZKNI-KFWWJZLASA-N 2 1 289.423 2.463 20 0 CEADMP COC(=O)C[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904337049 635563406 /nfs/dbraw/zinc/56/34/06/635563406.db2.gz ZEUIFSFMKVWSQE-XBXGTLAGSA-N 2 1 296.798 2.052 20 0 CEADMP COC(=O)C[N@H+](Cc1ccc(Cl)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904337049 635563411 /nfs/dbraw/zinc/56/34/11/635563411.db2.gz ZEUIFSFMKVWSQE-XBXGTLAGSA-N 2 1 296.798 2.052 20 0 CEADMP COc1ccc([C@@H]2CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)cc1 ZINC000904317706 635564681 /nfs/dbraw/zinc/56/46/81/635564681.db2.gz WOEGKZXISVKFJF-YUELXQCFSA-N 2 1 260.381 2.222 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)C1 ZINC000904316966 635565266 /nfs/dbraw/zinc/56/52/66/635565266.db2.gz SOUZJOYOUMRFRD-GUTXKFCHSA-N 2 1 288.391 2.332 20 0 CEADMP C[N@@H+](CCC1CCOCC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904323067 635569239 /nfs/dbraw/zinc/56/92/39/635569239.db2.gz LLZPFRAXHSTVIU-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000904322340 635569511 /nfs/dbraw/zinc/56/95/11/635569511.db2.gz ARVOBIFMLKUWMK-KHMAMNHCSA-N 2 1 266.429 2.249 20 0 CEADMP C[C@@H](CSC(C)(C)C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305125839 631109034 /nfs/dbraw/zinc/10/90/34/631109034.db2.gz LBKMAQUMPRRITK-ZDUSSCGKSA-N 2 1 288.501 2.343 20 0 CEADMP CC(C)[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000985598327 631157081 /nfs/dbraw/zinc/15/70/81/631157081.db2.gz IQBBIDCTFLBBKO-GJZGRUSLSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000985598327 631157083 /nfs/dbraw/zinc/15/70/83/631157083.db2.gz IQBBIDCTFLBBKO-GJZGRUSLSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000985598327 631157085 /nfs/dbraw/zinc/15/70/85/631157085.db2.gz IQBBIDCTFLBBKO-GJZGRUSLSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000925201646 631171568 /nfs/dbraw/zinc/17/15/68/631171568.db2.gz CQUNDGMXUWRCRZ-HUUCEWRRSA-N 2 1 256.434 2.369 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000925201646 631171569 /nfs/dbraw/zinc/17/15/69/631171569.db2.gz CQUNDGMXUWRCRZ-HUUCEWRRSA-N 2 1 256.434 2.369 20 0 CEADMP C[NH+](C)CC1(CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CCCC1 ZINC000897388812 631272200 /nfs/dbraw/zinc/27/22/00/631272200.db2.gz BHBNXYGKDJJXGQ-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000897508995 631599488 /nfs/dbraw/zinc/59/94/88/631599488.db2.gz TWKIMUIRYDWNBO-HOCLYGCPSA-N 2 1 275.396 2.195 20 0 CEADMP CC[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806139715 631719362 /nfs/dbraw/zinc/71/93/62/631719362.db2.gz QTOWMVQTHSFSJQ-KBMXLJTQSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865439159 631775863 /nfs/dbraw/zinc/77/58/63/631775863.db2.gz QBAVFKJCUBDTTO-UHFFFAOYSA-N 2 1 268.723 2.169 20 0 CEADMP CC(C)c1cnc(CN(C)CCC[N@@H+](C)CCN(C)C)o1 ZINC000808781420 632016004 /nfs/dbraw/zinc/01/60/04/632016004.db2.gz FLBHPMLRDNUEFF-UHFFFAOYSA-N 2 1 296.459 2.113 20 0 CEADMP CC(C)c1cnc(CN(C)CCCN(C)CC[NH+](C)C)o1 ZINC000808781420 632016009 /nfs/dbraw/zinc/01/60/09/632016009.db2.gz FLBHPMLRDNUEFF-UHFFFAOYSA-N 2 1 296.459 2.113 20 0 CEADMP CC1(C)CC[N@@H+](CCNC2CC[NH+](CC3CC3)CC2)C1 ZINC000898035497 632029364 /nfs/dbraw/zinc/02/93/64/632029364.db2.gz RYDPUIQDBSMJTC-UHFFFAOYSA-N 2 1 279.472 2.182 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000898035761 632030690 /nfs/dbraw/zinc/03/06/90/632030690.db2.gz ZXJNFCWOISRBNH-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000898035761 632030698 /nfs/dbraw/zinc/03/06/98/632030698.db2.gz ZXJNFCWOISRBNH-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000898035761 632030706 /nfs/dbraw/zinc/03/07/06/632030706.db2.gz ZXJNFCWOISRBNH-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCC1 ZINC000322460827 632209480 /nfs/dbraw/zinc/20/94/80/632209480.db2.gz LIBCHAQIILQNIC-XHSDSOJGSA-N 2 1 266.429 2.408 20 0 CEADMP CCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CCC1 ZINC000322460827 632209482 /nfs/dbraw/zinc/20/94/82/632209482.db2.gz LIBCHAQIILQNIC-XHSDSOJGSA-N 2 1 266.429 2.408 20 0 CEADMP CON1CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000323054760 632273042 /nfs/dbraw/zinc/27/30/42/632273042.db2.gz ISUWWOQOXOHJAX-GDBMZVCRSA-N 2 1 283.460 2.112 20 0 CEADMP CCO[C@H](C[NH2+]C1CCc2ccccc2CC1)C[NH+](C)C ZINC000926963943 632392907 /nfs/dbraw/zinc/39/29/07/632392907.db2.gz WDMOIRFDCMDMCO-GOSISDBHSA-N 2 1 290.451 2.490 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000813335646 632673874 /nfs/dbraw/zinc/67/38/74/632673874.db2.gz FWOCWZBPOAFBDV-UONOGXRCSA-N 2 1 284.444 2.380 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000813335646 632673875 /nfs/dbraw/zinc/67/38/75/632673875.db2.gz FWOCWZBPOAFBDV-UONOGXRCSA-N 2 1 284.444 2.380 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000813335646 632673876 /nfs/dbraw/zinc/67/38/76/632673876.db2.gz FWOCWZBPOAFBDV-UONOGXRCSA-N 2 1 284.444 2.380 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000813335646 632673877 /nfs/dbraw/zinc/67/38/77/632673877.db2.gz FWOCWZBPOAFBDV-UONOGXRCSA-N 2 1 284.444 2.380 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924752654 632740850 /nfs/dbraw/zinc/74/08/50/632740850.db2.gz OIYAMOSBCYIQLY-CHWSQXEVSA-N 2 1 263.385 2.170 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814642864 632873753 /nfs/dbraw/zinc/87/37/53/632873753.db2.gz UGVBEJSGEUWNCC-MSOLQXFVSA-N 2 1 288.435 2.323 20 0 CEADMP CN(C)c1cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccn1 ZINC000815147163 632972229 /nfs/dbraw/zinc/97/22/29/632972229.db2.gz YDETYTFKBFQFQO-KRWDZBQOSA-N 2 1 288.439 2.065 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000900005217 633168093 /nfs/dbraw/zinc/16/80/93/633168093.db2.gz BXKQPAVICGRRMY-LLVKDONJSA-N 2 1 264.373 2.343 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCC=CO3)C2)C1 ZINC000816641906 633455377 /nfs/dbraw/zinc/45/53/77/633455377.db2.gz JTPNDCRBWXQGQT-CABCVRRESA-N 2 1 250.386 2.097 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CCC=CO3)C2)C1 ZINC000816641906 633455381 /nfs/dbraw/zinc/45/53/81/633455381.db2.gz JTPNDCRBWXQGQT-CABCVRRESA-N 2 1 250.386 2.097 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CCC=CO3)C2)C1 ZINC000816641906 633455385 /nfs/dbraw/zinc/45/53/85/633455385.db2.gz JTPNDCRBWXQGQT-CABCVRRESA-N 2 1 250.386 2.097 20 0 CEADMP C[C@H]([NH2+]CCSC(F)(F)F)c1c[nH+]ccc1N ZINC000817889576 633752905 /nfs/dbraw/zinc/75/29/05/633752905.db2.gz PPHRXJQHVMPASO-ZETCQYMHSA-N 2 1 265.304 2.398 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H](O)c1ccsc1 ZINC000817894098 633756954 /nfs/dbraw/zinc/75/69/54/633756954.db2.gz AGJPEGQADIBNFC-UPJWGTAASA-N 2 1 254.399 2.031 20 0 CEADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000817904650 633765311 /nfs/dbraw/zinc/76/53/11/633765311.db2.gz FSMQSBNLNHIGML-BHTHQVBYSA-N 2 1 280.387 2.368 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000817914364 633774018 /nfs/dbraw/zinc/77/40/18/633774018.db2.gz YZJLCRHSABBUOC-MQYQWHSLSA-N 2 1 266.385 2.212 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000817916475 633774330 /nfs/dbraw/zinc/77/43/30/633774330.db2.gz FHNXPUBDWOJFKU-FVQBIDKESA-N 2 1 274.408 2.088 20 0 CEADMP C[N@@H+](CCC[NH2+]C1CCS(=O)CC1)C1CCCCC1 ZINC000042353977 633777012 /nfs/dbraw/zinc/77/70/12/633777012.db2.gz QVGVPPNPSDZREP-UHFFFAOYSA-N 2 1 286.485 2.142 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817922752 633779650 /nfs/dbraw/zinc/77/96/50/633779650.db2.gz LIIDHXHVJDXNBP-YKWDICOMSA-N 2 1 288.435 2.404 20 0 CEADMP CC[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817927540 633782453 /nfs/dbraw/zinc/78/24/53/633782453.db2.gz GSMSWIYDMLCRHA-ULQDDVLXSA-N 2 1 276.424 2.100 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)[C@H]1CCC[NH2+]1 ZINC000817936367 633787766 /nfs/dbraw/zinc/78/77/66/633787766.db2.gz JWVPHRKXUHHQHB-BBBLOLIVSA-N 2 1 251.201 2.300 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccnc1Cl ZINC000817946550 633793157 /nfs/dbraw/zinc/79/31/57/633793157.db2.gz ZAUWAUPKZSPHOE-QWRGUYRKSA-N 2 1 253.777 2.385 20 0 CEADMP CC(C)C[C@H](CNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)[NH+](C)C ZINC000900684283 633807581 /nfs/dbraw/zinc/80/75/81/633807581.db2.gz LZGPBWNZYCTESA-BZUAXINKSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](CC)CCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900688369 633808630 /nfs/dbraw/zinc/80/86/30/633808630.db2.gz HNJFQMGEIJVUQW-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000817977346 633820695 /nfs/dbraw/zinc/82/06/95/633820695.db2.gz IECZPJXZLZISEW-UYHMYPTGSA-N 2 1 260.381 2.180 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000818341131 633913140 /nfs/dbraw/zinc/91/31/40/633913140.db2.gz WFEYZVZBEYSAIK-CQSZACIVSA-N 2 1 282.428 2.184 20 0 CEADMP C[C@@H]1CC2(C[N@@H+]1Cc1ncc(Cl)n1C)CC[NH2+]CC2 ZINC000818431799 633921100 /nfs/dbraw/zinc/92/11/00/633921100.db2.gz TYSYXDQYLJHQAL-LLVKDONJSA-N 2 1 282.819 2.038 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1ncc(Cl)n1C)CC[NH2+]CC2 ZINC000818431799 633921105 /nfs/dbraw/zinc/92/11/05/633921105.db2.gz TYSYXDQYLJHQAL-LLVKDONJSA-N 2 1 282.819 2.038 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)c1ccccc1C ZINC000818968220 634022019 /nfs/dbraw/zinc/02/20/19/634022019.db2.gz NWIZTBPYAONZBY-MRXNPFEDSA-N 2 1 273.380 2.213 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000818972533 634022730 /nfs/dbraw/zinc/02/27/30/634022730.db2.gz JXZDARNYWRFGDJ-WMLDXEAASA-N 2 1 274.408 2.102 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000818973133 634024205 /nfs/dbraw/zinc/02/42/05/634024205.db2.gz RWNUYATUUJTORH-SUMWQHHRSA-N 2 1 292.398 2.241 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C2CC2)[C@@H]1c1cccs1 ZINC000819101020 634067969 /nfs/dbraw/zinc/06/79/69/634067969.db2.gz KZETVEVDLJIGES-IIAWOOMASA-N 2 1 294.464 2.492 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C2CC2)[C@@H]1c1cccs1 ZINC000819101020 634067973 /nfs/dbraw/zinc/06/79/73/634067973.db2.gz KZETVEVDLJIGES-IIAWOOMASA-N 2 1 294.464 2.492 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000819100358 634068432 /nfs/dbraw/zinc/06/84/32/634068432.db2.gz GFOSTLOUCCVOKC-INIZCTEOSA-N 2 1 291.370 2.434 20 0 CEADMP CCCCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000819105402 634070151 /nfs/dbraw/zinc/07/01/51/634070151.db2.gz LDCYDJZLKKHBOR-KKUMJFAQSA-N 2 1 256.434 2.390 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)C1=CC[N@@H+](C)CC1 ZINC000819219433 634108206 /nfs/dbraw/zinc/10/82/06/634108206.db2.gz DNVFOYGEHKLUNS-WBMJQRKESA-N 2 1 278.371 2.099 20 0 CEADMP C([NH2+]C1C[C@H]2CCC[C@@H]2C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902793930 634836860 /nfs/dbraw/zinc/83/68/60/634836860.db2.gz OXRAEDUAQMCLDO-LUYZLQTOSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+]C1C[C@H]2CCC[C@@H]2C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902793930 634836864 /nfs/dbraw/zinc/83/68/64/634836864.db2.gz OXRAEDUAQMCLDO-LUYZLQTOSA-N 2 1 264.413 2.018 20 0 CEADMP CCCn1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)nn1 ZINC000903018160 634927249 /nfs/dbraw/zinc/92/72/49/634927249.db2.gz YCOGPPQCWBNEIK-KBPBESRZSA-N 2 1 279.432 2.071 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903077118 634958807 /nfs/dbraw/zinc/95/88/07/634958807.db2.gz YCRPQKPWTGTCQI-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903068671 634965197 /nfs/dbraw/zinc/96/51/97/634965197.db2.gz KARCLFJGBDFEIN-BRWVUGGUSA-N 2 1 296.455 2.179 20 0 CEADMP c1nc2c([nH]1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CC2 ZINC000903173130 634998125 /nfs/dbraw/zinc/99/81/25/634998125.db2.gz XMHWJMMXTFGWHZ-IKKMQULASA-N 2 1 286.423 2.014 20 0 CEADMP c1nc2c([nH]1)CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)C2 ZINC000903173130 634998128 /nfs/dbraw/zinc/99/81/28/634998128.db2.gz XMHWJMMXTFGWHZ-IKKMQULASA-N 2 1 286.423 2.014 20 0 CEADMP c1nc2c([nH]1)CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)C2 ZINC000903173130 634998130 /nfs/dbraw/zinc/99/81/30/634998130.db2.gz XMHWJMMXTFGWHZ-IKKMQULASA-N 2 1 286.423 2.014 20 0 CEADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H](O)C(F)F ZINC000903178389 634999632 /nfs/dbraw/zinc/99/96/32/634999632.db2.gz HRNVDCFWHHWJGS-IBYNPJLGSA-N 2 1 288.382 2.138 20 0 CEADMP C[C@H]1COCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903171036 635004900 /nfs/dbraw/zinc/00/49/00/635004900.db2.gz MCOODXFBOGENPS-VUZHLFFPSA-N 2 1 278.440 2.406 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903207881 635016148 /nfs/dbraw/zinc/01/61/48/635016148.db2.gz WBURCDZOUAIEIK-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@H](C[C@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903214788 635019013 /nfs/dbraw/zinc/01/90/13/635019013.db2.gz XRAHNLALJJKQDI-RRYDCEEVSA-N 2 1 266.429 2.283 20 0 CEADMP OC1(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)CCC1 ZINC000903258185 635031969 /nfs/dbraw/zinc/03/19/69/635031969.db2.gz RRDNGKDAMCJLLR-VHRNVKJDSA-N 2 1 290.451 2.429 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000822952941 635033802 /nfs/dbraw/zinc/03/38/02/635033802.db2.gz PADLHMSWASHVAP-OAHLLOKOSA-N 2 1 295.471 2.192 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]23C[C@H]2COC32CCC2)[C@@H]2CCC[C@H]21 ZINC000903364200 635086123 /nfs/dbraw/zinc/08/61/23/635086123.db2.gz VUCKEJXVNCSFTI-SMLCLMEVSA-N 2 1 290.451 2.408 20 0 CEADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903426972 635112416 /nfs/dbraw/zinc/11/24/16/635112416.db2.gz ONGKEJIFBGTUOM-YCPHGPKFSA-N 2 1 299.422 2.116 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)C1 ZINC000903460997 635126015 /nfs/dbraw/zinc/12/60/15/635126015.db2.gz LJOAVQLQYMBJSF-GBJTYRQASA-N 2 1 252.402 2.005 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](Oc3ccccc3)C2)C1 ZINC000903464209 635127918 /nfs/dbraw/zinc/12/79/18/635127918.db2.gz DFJRNQDVFYPACW-SQWLQELKSA-N 2 1 260.381 2.267 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)nn1 ZINC000903453505 635137023 /nfs/dbraw/zinc/13/70/23/635137023.db2.gz AGCOJLUUACRRDX-CVEARBPZSA-N 2 1 288.439 2.305 20 0 CEADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457094 635140305 /nfs/dbraw/zinc/14/03/05/635140305.db2.gz NFXRAWAFMXERCB-IXDOHACOSA-N 2 1 276.424 2.303 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000903457033 635140540 /nfs/dbraw/zinc/14/05/40/635140540.db2.gz LCLUCHSHCICXKO-OWCLPIDISA-N 2 1 298.434 2.356 20 0 CEADMP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1C ZINC000903494743 635158033 /nfs/dbraw/zinc/15/80/33/635158033.db2.gz MTXQOSIAJXYHIC-HUUCEWRRSA-N 2 1 289.423 2.159 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000903564986 635164733 /nfs/dbraw/zinc/16/47/33/635164733.db2.gz BGBIIYVYRNFNOP-GFCCVEGCSA-N 2 1 279.453 2.421 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000903564986 635164736 /nfs/dbraw/zinc/16/47/36/635164736.db2.gz BGBIIYVYRNFNOP-GFCCVEGCSA-N 2 1 279.453 2.421 20 0 CEADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000903566603 635164776 /nfs/dbraw/zinc/16/47/76/635164776.db2.gz WFQPGUCGSPFQPW-AEFFLSMTSA-N 2 1 287.451 2.160 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000903565417 635164876 /nfs/dbraw/zinc/16/48/76/635164876.db2.gz KAVDQWYMBPCXSA-RDBSUJKOSA-N 2 1 279.453 2.253 20 0 CEADMP CC(C)c1nnc2n1CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]2C ZINC000903577552 635170014 /nfs/dbraw/zinc/17/00/14/635170014.db2.gz NYDSELMPQDMELW-KGLIPLIRSA-N 2 1 291.443 2.168 20 0 CEADMP CC(C)c1nnc2n1CC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]2C ZINC000903577552 635170021 /nfs/dbraw/zinc/17/00/21/635170021.db2.gz NYDSELMPQDMELW-KGLIPLIRSA-N 2 1 291.443 2.168 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCOC1CCSCC1 ZINC000903716614 635231214 /nfs/dbraw/zinc/23/12/14/635231214.db2.gz AEMBQEGAYDUZLQ-AWEZNQCLSA-N 2 1 274.474 2.204 20 0 CEADMP CC[C@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722601 635236277 /nfs/dbraw/zinc/23/62/77/635236277.db2.gz NSWKKHRLMBNKSU-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)C[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C(C)C ZINC000903723128 635236580 /nfs/dbraw/zinc/23/65/80/635236580.db2.gz UOQDUHUYMRAIIL-CABCVRRESA-N 2 1 254.418 2.121 20 0 CEADMP C[N@@H+](CCc1ccccc1F)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723881 635237744 /nfs/dbraw/zinc/23/77/44/635237744.db2.gz YXCYSKYSOUGLKR-WBVHZDCISA-N 2 1 292.398 2.069 20 0 CEADMP COCC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCCC1 ZINC000903725852 635238388 /nfs/dbraw/zinc/23/83/88/635238388.db2.gz ILRHLDKEADABRO-MRXNPFEDSA-N 2 1 296.455 2.036 20 0 CEADMP Cc1cn(C)nc1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000903750267 635247728 /nfs/dbraw/zinc/24/77/28/635247728.db2.gz WGRUNBUPJKBASS-UHFFFAOYSA-N 2 1 264.417 2.070 20 0 CEADMP Cc1cn(C)nc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000903750267 635247733 /nfs/dbraw/zinc/24/77/33/635247733.db2.gz WGRUNBUPJKBASS-UHFFFAOYSA-N 2 1 264.417 2.070 20 0 CEADMP CCSCC[C@H](C)[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903733964 635250218 /nfs/dbraw/zinc/25/02/18/635250218.db2.gz NLIAJHKUBVTTAX-RRFJBIMHSA-N 2 1 286.485 2.219 20 0 CEADMP CC[N@@H+](CCc1ccccn1)C[C@@H]1CCCC[NH2+]C1 ZINC000903736992 635251285 /nfs/dbraw/zinc/25/12/85/635251285.db2.gz OIRDTJUCMVXXLX-OAHLLOKOSA-N 2 1 261.413 2.336 20 0 CEADMP C[N@H+]1CCN(C[C@H]2CCCC[NH2+]C2)C2(CCCCC2)C1 ZINC000903740284 635253287 /nfs/dbraw/zinc/25/32/87/635253287.db2.gz FVAFTDLVCCGPPA-INIZCTEOSA-N 2 1 279.472 2.326 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOC1CCSCC1 ZINC000903742198 635254284 /nfs/dbraw/zinc/25/42/84/635254284.db2.gz VOLMIAYKYNNTKQ-AGUYFDCRSA-N 2 1 284.469 2.243 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](CC)CO1 ZINC000903762626 635257081 /nfs/dbraw/zinc/25/70/81/635257081.db2.gz BORUSZPDIINPDL-ARFHVFGLSA-N 2 1 296.455 2.035 20 0 CEADMP C[N@@H+](CCC(C)(C)C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903764280 635257500 /nfs/dbraw/zinc/25/75/00/635257500.db2.gz QVCSEOBMIPYWOZ-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP CC1CC(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000903768687 635259363 /nfs/dbraw/zinc/25/93/63/635259363.db2.gz PEPZURKLOVETHP-KDQUWOQTSA-N 2 1 266.429 2.393 20 0 CEADMP C[N@@H+](CCc1ccc2c(c1)OCO2)C[C@H]1CCCC[NH2+]C1 ZINC000903784004 635268694 /nfs/dbraw/zinc/26/86/94/635268694.db2.gz ISFNRAASQMTOSL-HNNXBMFYSA-N 2 1 290.407 2.279 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2CCCc1ccncc1 ZINC000903802567 635279746 /nfs/dbraw/zinc/27/97/46/635279746.db2.gz SKURJFDDGGNKTM-CVEARBPZSA-N 2 1 259.397 2.218 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CCCc1ccncc1 ZINC000903802567 635279753 /nfs/dbraw/zinc/27/97/53/635279753.db2.gz SKURJFDDGGNKTM-CVEARBPZSA-N 2 1 259.397 2.218 20 0 CEADMP C[N@H+](Cc1ccccc1CF)C1(C[NH3+])CCOCC1 ZINC000903809854 635283595 /nfs/dbraw/zinc/28/35/95/635283595.db2.gz NWZXCWWYDWMOGL-UHFFFAOYSA-N 2 1 266.360 2.096 20 0 CEADMP C[N@@H+](Cc1ccccc1CF)C1(C[NH3+])CCOCC1 ZINC000903809854 635283598 /nfs/dbraw/zinc/28/35/98/635283598.db2.gz NWZXCWWYDWMOGL-UHFFFAOYSA-N 2 1 266.360 2.096 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903811009 635285202 /nfs/dbraw/zinc/28/52/02/635285202.db2.gz IUYIFKOCNPQCHX-AWEZNQCLSA-N 2 1 282.428 2.312 20 0 CEADMP CCCCCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903814050 635287456 /nfs/dbraw/zinc/28/74/56/635287456.db2.gz JKDQKZVNBZGJME-UHFFFAOYSA-N 2 1 254.418 2.411 20 0 CEADMP FCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903832912 635296448 /nfs/dbraw/zinc/29/64/48/635296448.db2.gz STNGZWNCXABHMD-JALIKCBVSA-N 2 1 282.403 2.110 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccnc(Cl)c1)C2 ZINC000903843580 635302178 /nfs/dbraw/zinc/30/21/78/635302178.db2.gz NSFVEZMJFOYWTP-TUAOUCFPSA-N 2 1 251.761 2.047 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccnc(Cl)c1)C2 ZINC000903843580 635302183 /nfs/dbraw/zinc/30/21/83/635302183.db2.gz NSFVEZMJFOYWTP-TUAOUCFPSA-N 2 1 251.761 2.047 20 0 CEADMP CC1(C)CCC[C@H](C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])O1 ZINC000903860424 635312095 /nfs/dbraw/zinc/31/20/95/635312095.db2.gz RNVHUSCHKBMANJ-GZBFAFLISA-N 2 1 252.402 2.147 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])O1 ZINC000903860424 635312104 /nfs/dbraw/zinc/31/21/04/635312104.db2.gz RNVHUSCHKBMANJ-GZBFAFLISA-N 2 1 252.402 2.147 20 0 CEADMP CC[N@@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)[C@H](C)C(C)C ZINC000903889406 635316056 /nfs/dbraw/zinc/31/60/56/635316056.db2.gz RQTHPNQWLGNQSJ-HIFRSBDPSA-N 2 1 280.460 2.212 20 0 CEADMP C(CC[N@@H+]1CCC[C@]12CC[NH2+]C2)CC1CCOCC1 ZINC000903870982 635320120 /nfs/dbraw/zinc/32/01/20/635320120.db2.gz QLNKERHOLHOFJX-MRXNPFEDSA-N 2 1 266.429 2.411 20 0 CEADMP C(CC[N@H+]1CCC[C@]12CC[NH2+]C2)CC1CCOCC1 ZINC000903870982 635320122 /nfs/dbraw/zinc/32/01/22/635320122.db2.gz QLNKERHOLHOFJX-MRXNPFEDSA-N 2 1 266.429 2.411 20 0 CEADMP C[C@@]1(C2CC2)COCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903883080 635326310 /nfs/dbraw/zinc/32/63/10/635326310.db2.gz ULFQCWKGDMDMJS-YQAQFAQXSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H](CO)C(C)(C)C ZINC000903896353 635332452 /nfs/dbraw/zinc/33/24/52/635332452.db2.gz BSDTXUUDOJBLKY-MRXNPFEDSA-N 2 1 276.424 2.171 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H](C)[C@@H](C)O1 ZINC000903912189 635346309 /nfs/dbraw/zinc/34/63/09/635346309.db2.gz AWTXTGBLYPXSIZ-HZSPNIEDSA-N 2 1 274.408 2.330 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@H](C)C(C)(C)C2)cnn1C ZINC000903913913 635347957 /nfs/dbraw/zinc/34/79/57/635347957.db2.gz FOBRDHDEEINVLL-HIFRSBDPSA-N 2 1 292.471 2.214 20 0 CEADMP Cc1cccc(OC[C@@H](C)[NH2+]C[C@@H]([NH3+])CC(F)F)c1 ZINC000903919516 635348989 /nfs/dbraw/zinc/34/89/89/635348989.db2.gz DHHGEQMRSABCFK-NEPJUHHUSA-N 2 1 272.339 2.334 20 0 CEADMP C[N@@H+](CCC(C)(C)C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903932618 635358286 /nfs/dbraw/zinc/35/82/86/635358286.db2.gz TZPHTWOPCJHCDF-CYBMUJFWSA-N 2 1 279.432 2.071 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903937513 635362757 /nfs/dbraw/zinc/36/27/57/635362757.db2.gz MJVOMCKVAVIERO-BTFYYFJDSA-N 3 1 279.472 2.214 20 0 CEADMP CC(C)(C)[C@]1(CN)CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903937513 635362761 /nfs/dbraw/zinc/36/27/61/635362761.db2.gz MJVOMCKVAVIERO-BTFYYFJDSA-N 2 1 279.472 2.214 20 0 CEADMP CC(C)(C)[C@]1(CN)CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903937513 635362766 /nfs/dbraw/zinc/36/27/66/635362766.db2.gz MJVOMCKVAVIERO-BTFYYFJDSA-N 2 1 279.472 2.214 20 0 CEADMP Cn1nc(C(F)(F)F)c(C[NH2+]CCC(C)(C)[NH3+])c1Cl ZINC000903938452 635363421 /nfs/dbraw/zinc/36/34/21/635363421.db2.gz BGNACAQEZDOVPT-UHFFFAOYSA-N 2 1 298.740 2.309 20 0 CEADMP CC(C)[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC1CCC1 ZINC000903916984 635365310 /nfs/dbraw/zinc/36/53/10/635365310.db2.gz JEBWQRDIQIJSJQ-HNNXBMFYSA-N 2 1 291.443 2.213 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2ccccc2OCCOC)CC1 ZINC000903945940 635378241 /nfs/dbraw/zinc/37/82/41/635378241.db2.gz ADAPQZALNZTCII-UHFFFAOYSA-N 2 1 292.423 2.415 20 0 CEADMP CN(C)c1ccccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955442 635388999 /nfs/dbraw/zinc/38/89/99/635388999.db2.gz RSLXCNXHIGNPAM-CYBMUJFWSA-N 2 1 283.366 2.087 20 0 CEADMP CCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974003 635392101 /nfs/dbraw/zinc/39/21/01/635392101.db2.gz SBRLSAPOEWFNRP-KGLIPLIRSA-N 2 1 254.418 2.313 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903963689 635397807 /nfs/dbraw/zinc/39/78/07/635397807.db2.gz FYDWYBFMVWQDHD-TXCZRRACSA-N 2 1 273.424 2.019 20 0 CEADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964781 635399318 /nfs/dbraw/zinc/39/93/18/635399318.db2.gz VPPCQULLSULVTC-LALPHHSUSA-N 2 1 250.361 2.344 20 0 CEADMP COc1ccc(C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000904305407 635557254 /nfs/dbraw/zinc/55/72/54/635557254.db2.gz NBHLOSIYQVBBKE-OKILXGFUSA-N 2 1 260.381 2.397 20 0 CEADMP C[C@@]1(C[N@@H+]2CCCN(c3nccs3)CC2)CCC[NH2+]C1 ZINC000904313715 635561905 /nfs/dbraw/zinc/56/19/05/635561905.db2.gz YLBPUDZUTYGICE-OAHLLOKOSA-N 2 1 294.468 2.045 20 0 CEADMP C[C@@]1(C[N@H+]2CCCN(c3nccs3)CC2)CCC[NH2+]C1 ZINC000904313715 635561911 /nfs/dbraw/zinc/56/19/11/635561911.db2.gz YLBPUDZUTYGICE-OAHLLOKOSA-N 2 1 294.468 2.045 20 0 CEADMP CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904337287 635562704 /nfs/dbraw/zinc/56/27/04/635562704.db2.gz TVVBBWAMLKSWQQ-TXEJJXNPSA-N 2 1 293.436 2.016 20 0 CEADMP CC1([NH3+])CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC000904333808 635577280 /nfs/dbraw/zinc/57/72/80/635577280.db2.gz GYEDGSVTPHEYPH-UHFFFAOYSA-N 2 1 260.381 2.325 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000904350970 635584165 /nfs/dbraw/zinc/58/41/65/635584165.db2.gz SMSLUAFEQVEGAC-CQSZACIVSA-N 3 1 267.461 2.216 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])CN1CCC2(C1)CC[NH2+]CC2 ZINC000904350970 635584168 /nfs/dbraw/zinc/58/41/68/635584168.db2.gz SMSLUAFEQVEGAC-CQSZACIVSA-N 2 1 267.461 2.216 20 0 CEADMP CC(C)(C)CC[C@@H](N)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000904350970 635584174 /nfs/dbraw/zinc/58/41/74/635584174.db2.gz SMSLUAFEQVEGAC-CQSZACIVSA-N 2 1 267.461 2.216 20 0 CEADMP CC(C)(C)CC[C@@H](N)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000904350970 635584178 /nfs/dbraw/zinc/58/41/78/635584178.db2.gz SMSLUAFEQVEGAC-CQSZACIVSA-N 2 1 267.461 2.216 20 0 CEADMP [NH3+]CCc1ccc(C[NH2+]Cc2nccn2C2CC2)cc1 ZINC000904353652 635585630 /nfs/dbraw/zinc/58/56/30/635585630.db2.gz QDZMZGKRNCEQTP-UHFFFAOYSA-N 2 1 270.380 2.009 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(C(=O)OC)c(C)c1 ZINC000904351249 635585721 /nfs/dbraw/zinc/58/57/21/635585721.db2.gz VYNCADJWCIPLIO-UHFFFAOYSA-N 2 1 278.396 2.389 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000904359054 635587911 /nfs/dbraw/zinc/58/79/11/635587911.db2.gz WXPNHLVPSFSMHE-SJORKVTESA-N 3 1 273.424 2.109 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCn3nc(C(C)(C)C)cc3C2)CC[NH2+]1 ZINC000904389506 635599300 /nfs/dbraw/zinc/59/93/00/635599300.db2.gz LOZRQSZHZKZLNT-ZIAGYGMSSA-N 2 1 290.455 2.384 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC[C@H](C3CCOCC3)C2)C1 ZINC000904385920 635608286 /nfs/dbraw/zinc/60/82/86/635608286.db2.gz JUVLBZZHEKWPKW-CWRNSKLLSA-N 2 1 266.429 2.252 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904385723 635608606 /nfs/dbraw/zinc/60/86/06/635608606.db2.gz CRYOKMNMFGRXKW-NWDGAFQWSA-N 2 1 280.334 2.029 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904385723 635608609 /nfs/dbraw/zinc/60/86/09/635608609.db2.gz CRYOKMNMFGRXKW-NWDGAFQWSA-N 2 1 280.334 2.029 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc(O)c2Br)C1 ZINC000904404721 635611574 /nfs/dbraw/zinc/61/15/74/635611574.db2.gz DNOJQPDNCFLLCW-SNVBAGLBSA-N 2 1 299.212 2.325 20 0 CEADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405979 635612430 /nfs/dbraw/zinc/61/24/30/635612430.db2.gz NDNYAJYSHOUIGT-ZDUSSCGKSA-N 2 1 285.391 2.414 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406129 635613577 /nfs/dbraw/zinc/61/35/77/635613577.db2.gz PXCAQZVQKXICQR-YVARQFDVSA-N 2 1 260.381 2.379 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1F ZINC000904409649 635614729 /nfs/dbraw/zinc/61/47/29/635614729.db2.gz FHVKYKYXRJCDLV-VXGBXAGGSA-N 2 1 266.360 2.251 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000904409771 635614966 /nfs/dbraw/zinc/61/49/66/635614966.db2.gz IAKXFAAQCJFRDS-LLVKDONJSA-N 2 1 276.409 2.309 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)s1 ZINC000904410671 635616575 /nfs/dbraw/zinc/61/65/75/635616575.db2.gz FCDMVBICIIPCJJ-CHWSQXEVSA-N 2 1 296.484 2.406 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@H]1C[NH3+] ZINC000904412239 635620003 /nfs/dbraw/zinc/62/00/03/635620003.db2.gz QQMKNSOCBCPLDY-YJBOKZPZSA-N 2 1 298.434 2.348 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416075 635621266 /nfs/dbraw/zinc/62/12/66/635621266.db2.gz GEPWJTOPTDXVLY-WBVHZDCISA-N 2 1 281.488 2.462 20 0 CEADMP CCCCOc1cc(C[NH2+]CC2([NH3+])CC2)ccc1OC ZINC000904451098 635642006 /nfs/dbraw/zinc/64/20/06/635642006.db2.gz WKKHARYPOOPVST-UHFFFAOYSA-N 2 1 278.396 2.455 20 0 CEADMP CCOc1ccc(CC[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904473796 635648230 /nfs/dbraw/zinc/64/82/30/635648230.db2.gz DGKGTMGMRYMVRW-GASCZTMLSA-N 2 1 262.397 2.297 20 0 CEADMP COc1cncc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000825928403 635733963 /nfs/dbraw/zinc/73/39/63/635733963.db2.gz UBPLOKREGLOATR-MRXNPFEDSA-N 2 1 289.423 2.254 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC000826674930 635810288 /nfs/dbraw/zinc/81/02/88/635810288.db2.gz XKNWDPACACYBFN-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000826674930 635810290 /nfs/dbraw/zinc/81/02/90/635810290.db2.gz XKNWDPACACYBFN-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000826674930 635810292 /nfs/dbraw/zinc/81/02/92/635810292.db2.gz XKNWDPACACYBFN-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1cccc([C@@H](O)C[NH2+][C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000905205554 635879945 /nfs/dbraw/zinc/87/99/45/635879945.db2.gz WNDIOTYHFZUPOC-YOEHRIQHSA-N 2 1 274.408 2.268 20 0 CEADMP CC[C@@](O)(C[NH2+]CCCC[N@@H+](C)C1CC1)C(F)(F)F ZINC000905279985 636205809 /nfs/dbraw/zinc/20/58/09/636205809.db2.gz LOBBWRWGOGHUCG-GFCCVEGCSA-N 2 1 282.350 2.154 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1C=CCC1 ZINC000905417425 636266374 /nfs/dbraw/zinc/26/63/74/636266374.db2.gz LWLZYDYYQULWDE-WBVHZDCISA-N 2 1 274.408 2.035 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1C=CCC1 ZINC000905417425 636266377 /nfs/dbraw/zinc/26/63/77/636266377.db2.gz LWLZYDYYQULWDE-WBVHZDCISA-N 2 1 274.408 2.035 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@]12C[C@H]1CCC2 ZINC000905621199 636348336 /nfs/dbraw/zinc/34/83/36/636348336.db2.gz LFTBYHRTHJAYGH-KURKYZTESA-N 2 1 288.435 2.259 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@]12C[C@H]1CCC2 ZINC000905621199 636348339 /nfs/dbraw/zinc/34/83/39/636348339.db2.gz LFTBYHRTHJAYGH-KURKYZTESA-N 2 1 288.435 2.259 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000905666363 636374814 /nfs/dbraw/zinc/37/48/14/636374814.db2.gz JPYNSQBWFIERNV-ZJPYXAASSA-N 2 1 288.435 2.258 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000905666363 636374819 /nfs/dbraw/zinc/37/48/19/636374819.db2.gz JPYNSQBWFIERNV-ZJPYXAASSA-N 2 1 288.435 2.258 20 0 CEADMP CC[C@@](O)(C[NH2+]CCC[NH+]1CCCCC1)C(F)(F)F ZINC000905883477 636510515 /nfs/dbraw/zinc/51/05/15/636510515.db2.gz YRVSXIUSPFFHOK-GFCCVEGCSA-N 2 1 282.350 2.155 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@@](O)(CC)C(F)(F)F)C[C@@H]1C ZINC000905936901 636534159 /nfs/dbraw/zinc/53/41/59/636534159.db2.gz ZGJFACFZNVFZNQ-AVGNSLFASA-N 2 1 296.377 2.494 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000906507997 636758592 /nfs/dbraw/zinc/75/85/92/636758592.db2.gz GOTGDRFWUKITQS-KYZUINATSA-N 2 1 273.149 2.168 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2cnc(C3CCCC3)s2)C1 ZINC000906510137 636760327 /nfs/dbraw/zinc/76/03/27/636760327.db2.gz NEYSBSRIURDBPQ-UHFFFAOYSA-N 2 1 251.399 2.380 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000834475236 637842127 /nfs/dbraw/zinc/84/21/27/637842127.db2.gz OFILHUSESNEVAY-ARFHVFGLSA-N 2 1 295.471 2.084 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](OC)C23CCC3)C1 ZINC000834548280 637860320 /nfs/dbraw/zinc/86/03/20/637860320.db2.gz MPHMYRCXSOCRGC-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+]1CCCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000913006006 639177130 /nfs/dbraw/zinc/17/71/30/639177130.db2.gz KKNLFGAKUFTONS-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000166760921 639485960 /nfs/dbraw/zinc/48/59/60/639485960.db2.gz CLGQFDLQOOSFJD-KBAYOESNSA-N 2 1 288.435 2.445 20 0 CEADMP Cc1ccccc1[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000166760921 639485963 /nfs/dbraw/zinc/48/59/63/639485963.db2.gz CLGQFDLQOOSFJD-KBAYOESNSA-N 2 1 288.435 2.445 20 0 CEADMP Cc1ccc2c(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)cc(=O)oc2c1 ZINC000227073731 639572982 /nfs/dbraw/zinc/57/29/82/639572982.db2.gz UTBUAYLNVNYRKJ-WFASDCNBSA-N 2 1 286.375 2.271 20 0 CEADMP Cc1ccc2c(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)cc(=O)oc2c1 ZINC000227073731 639572984 /nfs/dbraw/zinc/57/29/84/639572984.db2.gz UTBUAYLNVNYRKJ-WFASDCNBSA-N 2 1 286.375 2.271 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cc(F)ccc2F)CC[N@@H+]1C ZINC000158234765 639582582 /nfs/dbraw/zinc/58/25/82/639582582.db2.gz MUCDDVOODCJABN-GMXABZIVSA-N 2 1 284.350 2.071 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cc(F)ccc2F)CC[N@H+]1C ZINC000158234765 639582589 /nfs/dbraw/zinc/58/25/89/639582589.db2.gz MUCDDVOODCJABN-GMXABZIVSA-N 2 1 284.350 2.071 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000841007323 639615926 /nfs/dbraw/zinc/61/59/26/639615926.db2.gz OZZDSTLKMWLUCE-GOEBONIOSA-N 2 1 284.444 2.020 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2ccc(Br)s2)C1 ZINC000087651689 639700429 /nfs/dbraw/zinc/70/04/29/639700429.db2.gz YBQHUHIOQHAANS-UHFFFAOYSA-N 2 1 261.188 2.090 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@H](C)C[NH+]2CCCC2)CC1 ZINC000062077981 639734875 /nfs/dbraw/zinc/73/48/75/639734875.db2.gz JEHOEXRBSQCDME-HNNXBMFYSA-N 3 1 267.461 2.182 20 0 CEADMP Cc1cc(C)cc(CC[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000877021789 650534690 /nfs/dbraw/zinc/53/46/90/650534690.db2.gz KOZFWNJBMIVZQI-ROUUACIJSA-N 2 1 288.435 2.299 20 0 CEADMP Cc1cc(C)cc(CC[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000877021789 650534692 /nfs/dbraw/zinc/53/46/92/650534692.db2.gz KOZFWNJBMIVZQI-ROUUACIJSA-N 2 1 288.435 2.299 20 0 CEADMP COC[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C(C)C ZINC000929704666 640025112 /nfs/dbraw/zinc/02/51/12/640025112.db2.gz ZKWZKDMTLUYRHF-CABCVRRESA-N 2 1 256.434 2.179 20 0 CEADMP COC[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000929704666 640025113 /nfs/dbraw/zinc/02/51/13/640025113.db2.gz ZKWZKDMTLUYRHF-CABCVRRESA-N 2 1 256.434 2.179 20 0 CEADMP COC[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000929704666 640025115 /nfs/dbraw/zinc/02/51/15/640025115.db2.gz ZKWZKDMTLUYRHF-CABCVRRESA-N 2 1 256.434 2.179 20 0 CEADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCCCCCC[NH3+] ZINC000842475687 640075375 /nfs/dbraw/zinc/07/53/75/640075375.db2.gz AHSAAUIVDXLKDW-ZDUSSCGKSA-N 2 1 271.449 2.131 20 0 CEADMP Nc1nccc([C@@H]2CCC[N@@H+](CCCCCCC[NH3+])C2)n1 ZINC000842476908 640076972 /nfs/dbraw/zinc/07/69/72/640076972.db2.gz WJHRSKYROCRTEN-CQSZACIVSA-N 2 1 291.443 2.147 20 0 CEADMP CC(C)Cn1nccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000842667949 640142563 /nfs/dbraw/zinc/14/25/63/640142563.db2.gz JUUZSRCOIAOBBV-CQSZACIVSA-N 2 1 276.428 2.113 20 0 CEADMP CC(C)Cn1nccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000842667949 640142571 /nfs/dbraw/zinc/14/25/71/640142571.db2.gz JUUZSRCOIAOBBV-CQSZACIVSA-N 2 1 276.428 2.113 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(CCc2ccns2)C1 ZINC000929779012 640184854 /nfs/dbraw/zinc/18/48/54/640184854.db2.gz MIPWXHADOUGZBT-CYBMUJFWSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2ccns2)C1 ZINC000929779012 640184857 /nfs/dbraw/zinc/18/48/57/640184857.db2.gz MIPWXHADOUGZBT-CYBMUJFWSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccns2)C1 ZINC000929779012 640184860 /nfs/dbraw/zinc/18/48/60/640184860.db2.gz MIPWXHADOUGZBT-CYBMUJFWSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC000929779012 640184864 /nfs/dbraw/zinc/18/48/64/640184864.db2.gz MIPWXHADOUGZBT-CYBMUJFWSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC000929779012 640184877 /nfs/dbraw/zinc/18/48/77/640184877.db2.gz MIPWXHADOUGZBT-CYBMUJFWSA-N 2 1 267.442 2.349 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2N)CC[N@@H+]1C ZINC000877070531 650558895 /nfs/dbraw/zinc/55/88/95/650558895.db2.gz PFLRLYRLIAVFEZ-ZYHUDNBSSA-N 2 1 267.804 2.495 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2N)CC[N@H+]1C ZINC000877070531 650558897 /nfs/dbraw/zinc/55/88/97/650558897.db2.gz PFLRLYRLIAVFEZ-ZYHUDNBSSA-N 2 1 267.804 2.495 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](COC)C(C)C)C1 ZINC000929789759 640211731 /nfs/dbraw/zinc/21/17/31/640211731.db2.gz YVSAVTMECIPFHE-CABCVRRESA-N 2 1 256.434 2.179 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](COC)C(C)C)C1 ZINC000929789759 640211733 /nfs/dbraw/zinc/21/17/33/640211733.db2.gz YVSAVTMECIPFHE-CABCVRRESA-N 2 1 256.434 2.179 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](COC)C(C)C)C1 ZINC000929789759 640211734 /nfs/dbraw/zinc/21/17/34/640211734.db2.gz YVSAVTMECIPFHE-CABCVRRESA-N 2 1 256.434 2.179 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](COC)C(C)C)C1 ZINC000929789767 640212630 /nfs/dbraw/zinc/21/26/30/640212630.db2.gz YVSAVTMECIPFHE-HUUCEWRRSA-N 2 1 256.434 2.179 20 0 CEADMP Cn1cc(C[N@@H+](C)C2CCC([NH3+])CC2)c(-c2ccncc2)n1 ZINC000843056087 640258839 /nfs/dbraw/zinc/25/88/39/640258839.db2.gz YMUDBLXEZVLLOJ-UHFFFAOYSA-N 2 1 299.422 2.184 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@H]21 ZINC000843059177 640261997 /nfs/dbraw/zinc/26/19/97/640261997.db2.gz FLSOLRLSYYTTCG-IAOVAPTHSA-N 2 1 272.392 2.276 20 0 CEADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1cnn(-c2ccccc2)n1 ZINC000843357244 640401654 /nfs/dbraw/zinc/40/16/54/640401654.db2.gz FDJKCISBMULSLR-UHFFFAOYSA-N 2 1 299.422 2.089 20 0 CEADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cnn(-c2ccccc2)n1 ZINC000843357244 640401658 /nfs/dbraw/zinc/40/16/58/640401658.db2.gz FDJKCISBMULSLR-UHFFFAOYSA-N 2 1 299.422 2.089 20 0 CEADMP C[N@@H+](CCOCC(F)(F)C(F)F)C1CCC([NH3+])CC1 ZINC000843355240 640401808 /nfs/dbraw/zinc/40/18/08/640401808.db2.gz OCEJTFVDZRRLNP-UHFFFAOYSA-N 2 1 286.313 2.105 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843364992 640405261 /nfs/dbraw/zinc/40/52/61/640405261.db2.gz ZNKLYCWEKJDTKN-ZNMIVQPWSA-N 2 1 283.460 2.131 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843364992 640405266 /nfs/dbraw/zinc/40/52/66/640405266.db2.gz ZNKLYCWEKJDTKN-ZNMIVQPWSA-N 2 1 283.460 2.131 20 0 CEADMP Cc1[nH+]ccn1CCCNc1ccc(OCC[NH3+])cc1 ZINC000843366307 640406385 /nfs/dbraw/zinc/40/63/85/640406385.db2.gz PKRKFTVFBYHROJ-UHFFFAOYSA-N 2 1 274.368 2.031 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2)[C@@H]2CCCC[C@H]12 ZINC000915225898 640531813 /nfs/dbraw/zinc/53/18/13/640531813.db2.gz FMRMQGSMGKAVRS-QBPKDAKJSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]2CCCC[C@H]12 ZINC000915225898 640531815 /nfs/dbraw/zinc/53/18/15/640531815.db2.gz FMRMQGSMGKAVRS-QBPKDAKJSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]2CCCC[C@H]12 ZINC000915225898 640531819 /nfs/dbraw/zinc/53/18/19/640531819.db2.gz FMRMQGSMGKAVRS-QBPKDAKJSA-N 2 1 280.456 2.344 20 0 CEADMP CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000993316742 640596131 /nfs/dbraw/zinc/59/61/31/640596131.db2.gz RTHGQVCBBIZVCI-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCCCCC[NH3+])C[C@H]1C ZINC000844185691 640626626 /nfs/dbraw/zinc/62/66/26/640626626.db2.gz PATCXRRXVPQNNB-CABCVRRESA-N 2 1 283.460 2.227 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000844203630 640630840 /nfs/dbraw/zinc/63/08/40/640630840.db2.gz HDOQHGQDOFMZSK-HNNXBMFYSA-N 2 1 295.471 2.289 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000844202311 640631358 /nfs/dbraw/zinc/63/13/58/640631358.db2.gz YJRWCRUDJANLHM-OAHLLOKOSA-N 2 1 295.471 2.289 20 0 CEADMP CC[N@H+](CCc1ccccn1)CCC1CC[NH2+]CC1 ZINC000844221572 640635990 /nfs/dbraw/zinc/63/59/90/640635990.db2.gz GOWHYSLOMXUBPP-UHFFFAOYSA-N 2 1 261.413 2.336 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000844222024 640636010 /nfs/dbraw/zinc/63/60/10/640636010.db2.gz QUCCYYBFYKYZHR-AWEZNQCLSA-N 2 1 264.417 2.498 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)NCCC[N@@H+](C)CC(C)C ZINC000844653870 640795895 /nfs/dbraw/zinc/79/58/95/640795895.db2.gz NLRYXRYLLMFXIR-UHFFFAOYSA-N 2 1 294.443 2.066 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)NCCC[N@H+](C)CC(C)C ZINC000844653870 640795932 /nfs/dbraw/zinc/79/59/32/640795932.db2.gz NLRYXRYLLMFXIR-UHFFFAOYSA-N 2 1 294.443 2.066 20 0 CEADMP C[C@@H]1CCCN(Cc2ncc(C[NH+](C)C)s2)[C@H]1CC[NH3+] ZINC000844902387 640860543 /nfs/dbraw/zinc/86/05/43/640860543.db2.gz QKZAZCXDBWJCFS-OCCSQVGLSA-N 2 1 296.484 2.154 20 0 CEADMP Cc1ncc(C[NH2+]Cc2ccc(C[NH3+])cc2F)s1 ZINC000844904733 640861319 /nfs/dbraw/zinc/86/13/19/640861319.db2.gz PDJSXGKVWGLVQT-UHFFFAOYSA-N 2 1 265.357 2.339 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000930059840 641013599 /nfs/dbraw/zinc/01/35/99/641013599.db2.gz HBIJNXCJBLJSAJ-LYYZXLFJSA-N 2 1 266.429 2.216 20 0 CEADMP Fc1cccc(F)c1CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925480443 641159471 /nfs/dbraw/zinc/15/94/71/641159471.db2.gz MDNJAMJQLJJDRK-JHGYYSDHSA-N 2 1 278.346 2.093 20 0 CEADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CCN1CC(F)(F)F ZINC000846223109 641232696 /nfs/dbraw/zinc/23/26/96/641232696.db2.gz GREIKTMMINQXGK-LBPRGKRZSA-N 2 1 281.366 2.074 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000252551129 641579401 /nfs/dbraw/zinc/57/94/01/641579401.db2.gz PKCZRYMVHKEYQN-QXSJWSMHSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000252551129 641579410 /nfs/dbraw/zinc/57/94/10/641579410.db2.gz PKCZRYMVHKEYQN-QXSJWSMHSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000995107219 641687351 /nfs/dbraw/zinc/68/73/51/641687351.db2.gz PNZFWAXVCUGQDT-GJZGRUSLSA-N 2 1 295.471 2.001 20 0 CEADMP FC(F)(F)SCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848519382 642026843 /nfs/dbraw/zinc/02/68/43/642026843.db2.gz BHEKOCBQOIYQBU-LLVKDONJSA-N 2 1 298.374 2.082 20 0 CEADMP CC(C)C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000996690130 642127326 /nfs/dbraw/zinc/12/73/26/642127326.db2.gz PECQXECSCONSAA-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP c1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)n(C2CCC2)n1 ZINC000921545834 642219526 /nfs/dbraw/zinc/21/95/26/642219526.db2.gz ATZHGZHFRMKDFM-HIFRSBDPSA-N 2 1 274.412 2.325 20 0 CEADMP Cc1cccc(NC(=[NH2+])NCC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000849004139 642221046 /nfs/dbraw/zinc/22/10/46/642221046.db2.gz AWCXXBHHSAWEPM-CYBMUJFWSA-N 2 1 260.385 2.273 20 0 CEADMP Cc1ccc(CNC(=[NH2+])NCC[N@H+](C)C2CCCC2)cc1 ZINC000849006327 642223065 /nfs/dbraw/zinc/22/30/65/642223065.db2.gz XCTKKCFHWZGWLX-UHFFFAOYSA-N 2 1 288.439 2.483 20 0 CEADMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCC2)[C@@H]1c1cccs1 ZINC000849009995 642227094 /nfs/dbraw/zinc/22/70/94/642227094.db2.gz SCMQKEIFTUBCAA-GXTWGEPZSA-N 2 1 292.452 2.361 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=[NH2+])NCC1CCC1 ZINC000849024041 642237350 /nfs/dbraw/zinc/23/73/50/642237350.db2.gz OYZPICFDYUOOCC-ZDUSSCGKSA-N 2 1 266.433 2.021 20 0 CEADMP CC[N@@H+](CCCNC(=[NH2+])N(C)C)C1CCCCC1 ZINC000849047259 642256535 /nfs/dbraw/zinc/25/65/35/642256535.db2.gz SDAWTWRPCLKCKB-UHFFFAOYSA-N 2 1 254.422 2.117 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925486840 642618055 /nfs/dbraw/zinc/61/80/55/642618055.db2.gz KGGBVTGWOOCXAG-QLFBSQMISA-N 2 1 265.445 2.110 20 0 CEADMP O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000850372964 642687638 /nfs/dbraw/zinc/68/76/38/642687638.db2.gz BRNCQQOQWDWURP-MGBSGCIJSA-N 2 1 272.392 2.381 20 0 CEADMP O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000850372964 642687644 /nfs/dbraw/zinc/68/76/44/642687644.db2.gz BRNCQQOQWDWURP-MGBSGCIJSA-N 2 1 272.392 2.381 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(Cc3cc4c(cc[nH]c4=O)o3)C2)C1 ZINC000877546453 650780270 /nfs/dbraw/zinc/78/02/70/650780270.db2.gz SLYYTIHHWJYQGZ-MRXNPFEDSA-N 2 1 287.363 2.061 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC001002159341 642757027 /nfs/dbraw/zinc/75/70/27/642757027.db2.gz QWLQJZWEBPWRNN-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cnc(Cl)c(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000921969476 642817821 /nfs/dbraw/zinc/81/78/21/642817821.db2.gz XBAXOVNGJQPXFM-UHFFFAOYSA-N 2 1 265.788 2.395 20 0 CEADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CC[C@H]3COCC[C@@H]3C1)C2 ZINC000922025827 642847272 /nfs/dbraw/zinc/84/72/72/642847272.db2.gz ORPGIOUSVKWXRV-LVQVYYBASA-N 2 1 289.423 2.240 20 0 CEADMP C[C@H](C[NH2+]Cc1cn(C)nc1C1CCCC1)C[NH+](C)C ZINC000922140938 642902081 /nfs/dbraw/zinc/90/20/81/642902081.db2.gz VJYMYTQMIXCEJE-CYBMUJFWSA-N 2 1 278.444 2.365 20 0 CEADMP Cc1coc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1 ZINC000922390469 643058696 /nfs/dbraw/zinc/05/86/96/643058696.db2.gz NBLSOJZUHXONDK-VQHPVUNQSA-N 2 1 292.423 2.157 20 0 CEADMP FC(F)OCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000851860230 643195077 /nfs/dbraw/zinc/19/50/77/643195077.db2.gz HZNCJLOWLVITBF-AAEUAGOBSA-N 2 1 274.355 2.174 20 0 CEADMP FC(F)OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000851860230 643195079 /nfs/dbraw/zinc/19/50/79/643195079.db2.gz HZNCJLOWLVITBF-AAEUAGOBSA-N 2 1 274.355 2.174 20 0 CEADMP FC(F)OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000851860230 643195085 /nfs/dbraw/zinc/19/50/85/643195085.db2.gz HZNCJLOWLVITBF-AAEUAGOBSA-N 2 1 274.355 2.174 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000922694575 643212668 /nfs/dbraw/zinc/21/26/68/643212668.db2.gz KYFQTWTUWGDHRZ-VXGBXAGGSA-N 2 1 280.334 2.170 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)C[NH+](C)C ZINC000922756281 643247103 /nfs/dbraw/zinc/24/71/03/643247103.db2.gz NPJYMFQHGJRXPR-ZNMIVQPWSA-N 2 1 286.460 2.136 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCO1 ZINC000922818768 643281894 /nfs/dbraw/zinc/28/18/94/643281894.db2.gz YTGICJBZEYXJAK-RBSFLKMASA-N 2 1 252.402 2.162 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCS1 ZINC000922839280 643291196 /nfs/dbraw/zinc/29/11/96/643291196.db2.gz RPIAJKCLOHPHIY-XJFOESAGSA-N 2 1 254.443 2.487 20 0 CEADMP CCOC1CC(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)C1 ZINC000877664220 650839563 /nfs/dbraw/zinc/83/95/63/650839563.db2.gz KHDNIZGGDNTFRQ-UHFFFAOYSA-N 2 1 298.471 2.092 20 0 CEADMP COCC[N@H+](Cc1ccnc(F)c1)CC1CC[NH+](C)CC1 ZINC000877664039 650839726 /nfs/dbraw/zinc/83/97/26/650839726.db2.gz FPEPUUTVISWYPQ-UHFFFAOYSA-N 2 1 295.402 2.011 20 0 CEADMP COCC[N@H+](Cc1cncc(F)c1)CC1CC[NH+](C)CC1 ZINC000877664231 650840094 /nfs/dbraw/zinc/84/00/94/650840094.db2.gz KQAODDHDJWSAKK-UHFFFAOYSA-N 2 1 295.402 2.011 20 0 CEADMP COCC[N@H+](Cc1cccc(O)c1)CC1CC[NH+](C)CC1 ZINC000877665158 650840897 /nfs/dbraw/zinc/84/08/97/650840897.db2.gz JTJZMTNZIXLNOO-UHFFFAOYSA-N 2 1 292.423 2.182 20 0 CEADMP Cc1ccc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000852762180 643542083 /nfs/dbraw/zinc/54/20/83/643542083.db2.gz IKIZXXJBDNXJPG-MRXNPFEDSA-N 2 1 273.424 2.035 20 0 CEADMP [NH3+]CCCCCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000852856241 643579435 /nfs/dbraw/zinc/57/94/35/643579435.db2.gz WNHIRDZLRYKJJV-CQSZACIVSA-N 2 1 281.444 2.029 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC2SCCS2)C1 ZINC000853022882 643623910 /nfs/dbraw/zinc/62/39/10/643623910.db2.gz GQPKUDHXOBPDOC-LLVKDONJSA-N 2 1 260.472 2.114 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923281654 643636868 /nfs/dbraw/zinc/63/68/68/643636868.db2.gz QUVULAPWDUKRQE-LPHOPBHVSA-N 2 1 298.430 2.414 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000923289287 643641622 /nfs/dbraw/zinc/64/16/22/643641622.db2.gz ONBNKUMZJKTODP-JSGCOSHPSA-N 2 1 250.361 2.427 20 0 CEADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923305400 643651498 /nfs/dbraw/zinc/65/14/98/643651498.db2.gz YOSUHPBSTPVDBL-ZBFHGGJFSA-N 2 1 274.408 2.366 20 0 CEADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCC(C)(C)CC1 ZINC000923314556 643654900 /nfs/dbraw/zinc/65/49/00/643654900.db2.gz AZHVLJAXVPCHFI-CQSZACIVSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317080 643655931 /nfs/dbraw/zinc/65/59/31/643655931.db2.gz YLVBBMYJHWZDTE-RDJZCZTQSA-N 2 1 286.419 2.374 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316784 643656192 /nfs/dbraw/zinc/65/61/92/643656192.db2.gz WTBYFFFXPZUGPZ-QPSCCSFWSA-N 2 1 264.413 2.018 20 0 CEADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923316445 643656361 /nfs/dbraw/zinc/65/63/61/643656361.db2.gz JNOYJTRQUWWSBR-GJZGRUSLSA-N 2 1 266.429 2.123 20 0 CEADMP O[C@@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(F)cc1F ZINC000923328792 643660246 /nfs/dbraw/zinc/66/02/46/643660246.db2.gz VNIBONIJUHKOCQ-HNNXBMFYSA-N 2 1 296.361 2.074 20 0 CEADMP Cc1cc(C)n([C@@H]2CCC[N@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923322263 643662620 /nfs/dbraw/zinc/66/26/20/643662620.db2.gz KHXRQGDGDQKXDI-MRXNPFEDSA-N 2 1 276.428 2.279 20 0 CEADMP Cc1cc(C)n([C@@H]2CCC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923322263 643662623 /nfs/dbraw/zinc/66/26/23/643662623.db2.gz KHXRQGDGDQKXDI-MRXNPFEDSA-N 2 1 276.428 2.279 20 0 CEADMP Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CCC[NH2+]C2CC2)n1 ZINC000923323797 643663418 /nfs/dbraw/zinc/66/34/18/643663418.db2.gz XCGHDDWFVHGYKB-KRWDZBQOSA-N 2 1 290.455 2.497 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000923335246 643667121 /nfs/dbraw/zinc/66/71/21/643667121.db2.gz OGKNTFTUONZQHG-SWLSCSKDSA-N 2 1 284.350 2.072 20 0 CEADMP CCc1ncc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)o1 ZINC000923335607 643667943 /nfs/dbraw/zinc/66/79/43/643667943.db2.gz NSVPRFNVWVEWRS-GFCCVEGCSA-N 2 1 251.374 2.201 20 0 CEADMP CCc1ncc(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)o1 ZINC000923335607 643667946 /nfs/dbraw/zinc/66/79/46/643667946.db2.gz NSVPRFNVWVEWRS-GFCCVEGCSA-N 2 1 251.374 2.201 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000923332012 643671661 /nfs/dbraw/zinc/67/16/61/643671661.db2.gz KPRIGWJSYCSLEB-MWDXBVQZSA-N 2 1 274.408 2.088 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923358528 643677182 /nfs/dbraw/zinc/67/71/82/643677182.db2.gz HXHQVIRGDFSDFC-SOUVJXGZSA-N 2 1 254.418 2.002 20 0 CEADMP CCCCCC[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366907 643681193 /nfs/dbraw/zinc/68/11/93/643681193.db2.gz PVRXDFKTSYEERW-CVEARBPZSA-N 2 1 268.445 2.393 20 0 CEADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCCC[C@H]1C1CCC1 ZINC000923385213 643685286 /nfs/dbraw/zinc/68/52/86/643685286.db2.gz XNAOSHOUTWNVCA-CABCVRRESA-N 2 1 264.413 2.020 20 0 CEADMP COC(=O)[C@H](C)[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1 ZINC000923375989 643685414 /nfs/dbraw/zinc/68/54/14/643685414.db2.gz GWLLUMCUMAAWBP-CZUORRHYSA-N 2 1 290.407 2.269 20 0 CEADMP Cc1cc(C)c2c(c1)C[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923376114 643686030 /nfs/dbraw/zinc/68/60/30/643686030.db2.gz IIMZLUKNEMKSJG-INIZCTEOSA-N 2 1 286.419 2.040 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923376788 643686222 /nfs/dbraw/zinc/68/62/22/643686222.db2.gz OXSFFRIGLLLKOO-INIZCTEOSA-N 2 1 282.428 2.040 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)CCc1ccccc1)C2 ZINC000923386216 643691755 /nfs/dbraw/zinc/69/17/55/643691755.db2.gz HYIJWBIPBAMLTP-KSZLIROESA-N 2 1 288.435 2.041 20 0 CEADMP CCc1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000923392195 643691872 /nfs/dbraw/zinc/69/18/72/643691872.db2.gz IFYDVWQAPUIOKD-CFVMTHIKSA-N 2 1 293.411 2.098 20 0 CEADMP Cc1ccc([C@@H](O)C[N@@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000923410469 643701115 /nfs/dbraw/zinc/70/11/15/643701115.db2.gz IEAMQCNQVXQLJE-HOTGVXAUSA-N 2 1 262.397 2.232 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000923410469 643701118 /nfs/dbraw/zinc/70/11/18/643701118.db2.gz IEAMQCNQVXQLJE-HOTGVXAUSA-N 2 1 262.397 2.232 20 0 CEADMP CCOC[C@H](O)C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000923423344 643703794 /nfs/dbraw/zinc/70/37/94/643703794.db2.gz AZIIZSDIYAMULA-USXIJHARSA-N 2 1 298.471 2.003 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@H](O)Cc1ccccc1 ZINC000923426219 643705566 /nfs/dbraw/zinc/70/55/66/643705566.db2.gz OEKGLHLXBIEGBV-MRXNPFEDSA-N 2 1 264.413 2.041 20 0 CEADMP C[N@@H+](CCC[NH2+]C1CC1)CCc1ccc2c(c1)OCO2 ZINC000923429247 643708395 /nfs/dbraw/zinc/70/83/95/643708395.db2.gz XXULTMUJNBVIFE-UHFFFAOYSA-N 2 1 276.380 2.032 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487100 643729734 /nfs/dbraw/zinc/72/97/34/643729734.db2.gz WXPBFFNFFUFRAO-ILXRZTDVSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487707 643731043 /nfs/dbraw/zinc/73/10/43/643731043.db2.gz GYRCPGBNLPDZTN-RYUDHWBXSA-N 2 1 286.379 2.067 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000923481252 643731705 /nfs/dbraw/zinc/73/17/05/643731705.db2.gz HVDZSCMWWSHUSO-GFCCVEGCSA-N 2 1 271.364 2.111 20 0 CEADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496497 643733871 /nfs/dbraw/zinc/73/38/71/643733871.db2.gz JANIPEFIJLMMMN-KFWWJZLASA-N 2 1 299.422 2.245 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923495486 643734562 /nfs/dbraw/zinc/73/45/62/643734562.db2.gz WFZZVJOKAJHBLF-XJKSGUPXSA-N 2 1 262.397 2.250 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ncccc2Cl)CC[C@@H]1C[NH3+] ZINC000923491077 643736328 /nfs/dbraw/zinc/73/63/28/643736328.db2.gz QQBNOKQSPOEKQL-GHMZBOCLSA-N 2 1 253.777 2.152 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502132 643738710 /nfs/dbraw/zinc/73/87/10/643738710.db2.gz YXJHOBCEZUAIKB-CVEARBPZSA-N 2 1 297.487 2.332 20 0 CEADMP CC(C)c1noc([C@H](C)[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923502533 643738817 /nfs/dbraw/zinc/73/88/17/643738817.db2.gz ZNSMIDRURXSKSV-WOPDTQHZSA-N 2 1 266.389 2.171 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923502996 643739361 /nfs/dbraw/zinc/73/93/61/643739361.db2.gz FWMBDQGNHPZRLI-KKUMJFAQSA-N 2 1 289.423 2.239 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nc(-c3ccsc3)no2)CC[C@@H]1C[NH3+] ZINC000923498245 643740780 /nfs/dbraw/zinc/74/07/80/643740780.db2.gz GRRHEMQEVDDQGX-WDEREUQCSA-N 2 1 292.408 2.215 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CC[C@@H]1C[NH3+] ZINC000923498280 643740901 /nfs/dbraw/zinc/74/09/01/643740901.db2.gz HHICUASFTHJWGB-GDBMZVCRSA-N 2 1 284.407 2.289 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923504144 643742418 /nfs/dbraw/zinc/74/24/18/643742418.db2.gz OMOQYVRTWJRPBI-CABCVRRESA-N 2 1 292.423 2.381 20 0 CEADMP FC(F)Oc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518767 643748335 /nfs/dbraw/zinc/74/83/35/643748335.db2.gz NKSKOMIGQPVDBO-WCQYABFASA-N 2 1 282.334 2.329 20 0 CEADMP FC(F)Oc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518767 643748337 /nfs/dbraw/zinc/74/83/37/643748337.db2.gz NKSKOMIGQPVDBO-WCQYABFASA-N 2 1 282.334 2.329 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Cl ZINC000923521659 643749274 /nfs/dbraw/zinc/74/92/74/643749274.db2.gz PNSYUTNYANTZOI-QWHCGFSZSA-N 2 1 280.799 2.390 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Cl ZINC000923521659 643749276 /nfs/dbraw/zinc/74/92/76/643749276.db2.gz PNSYUTNYANTZOI-QWHCGFSZSA-N 2 1 280.799 2.390 20 0 CEADMP C[C@@H]1C[N@@H+](CCO[C@H]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000923513900 643749364 /nfs/dbraw/zinc/74/93/64/643749364.db2.gz DDLJXWKASWUMGB-TUVASFSCSA-N 2 1 254.418 2.108 20 0 CEADMP CCO[C@H](C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C1CC1 ZINC000923533963 643754228 /nfs/dbraw/zinc/75/42/28/643754228.db2.gz PNUXEEZCWFHPHY-HUUCEWRRSA-N 2 1 252.402 2.020 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C1CC1 ZINC000923533963 643754230 /nfs/dbraw/zinc/75/42/30/643754230.db2.gz PNUXEEZCWFHPHY-HUUCEWRRSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1ccc(Cl)c(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000853799047 643904585 /nfs/dbraw/zinc/90/45/85/643904585.db2.gz NJJWZDRIYKYODT-UHFFFAOYSA-N 2 1 284.835 2.339 20 0 CEADMP Cc1ccc(Cl)c(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000853799047 643904589 /nfs/dbraw/zinc/90/45/89/643904589.db2.gz NJJWZDRIYKYODT-UHFFFAOYSA-N 2 1 284.835 2.339 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877738154 650879982 /nfs/dbraw/zinc/87/99/82/650879982.db2.gz AFPGCIUVGVFMEC-KFWWJZLASA-N 2 1 254.418 2.074 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877738154 650879985 /nfs/dbraw/zinc/87/99/85/650879985.db2.gz AFPGCIUVGVFMEC-KFWWJZLASA-N 2 1 254.418 2.074 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877738154 650879989 /nfs/dbraw/zinc/87/99/89/650879989.db2.gz AFPGCIUVGVFMEC-KFWWJZLASA-N 2 1 254.418 2.074 20 0 CEADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877742048 650885695 /nfs/dbraw/zinc/88/56/95/650885695.db2.gz OCCPYMAWMRIOBS-KURKYZTESA-N 2 1 288.435 2.270 20 0 CEADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877742048 650885707 /nfs/dbraw/zinc/88/57/07/650885707.db2.gz OCCPYMAWMRIOBS-KURKYZTESA-N 2 1 288.435 2.270 20 0 CEADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877742048 650885714 /nfs/dbraw/zinc/88/57/14/650885714.db2.gz OCCPYMAWMRIOBS-KURKYZTESA-N 2 1 288.435 2.270 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CCO1 ZINC000877743882 650890256 /nfs/dbraw/zinc/89/02/56/650890256.db2.gz YTOUHQHGKWRHNN-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CCO1 ZINC000877743882 650890262 /nfs/dbraw/zinc/89/02/62/650890262.db2.gz YTOUHQHGKWRHNN-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CCO1 ZINC000877743882 650890266 /nfs/dbraw/zinc/89/02/66/650890266.db2.gz YTOUHQHGKWRHNN-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CCO1 ZINC000877743882 650890267 /nfs/dbraw/zinc/89/02/67/650890267.db2.gz YTOUHQHGKWRHNN-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP Clc1cccc(CC[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000838938256 644093629 /nfs/dbraw/zinc/09/36/29/644093629.db2.gz AIBSJVSZHREGAQ-HOTGVXAUSA-N 2 1 294.826 2.335 20 0 CEADMP Clc1cccc(CC[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000838938256 644093632 /nfs/dbraw/zinc/09/36/32/644093632.db2.gz AIBSJVSZHREGAQ-HOTGVXAUSA-N 2 1 294.826 2.335 20 0 CEADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H](O)c1ccccc1 ZINC000838989489 644112932 /nfs/dbraw/zinc/11/29/32/644112932.db2.gz SAJVQZVOOCJTOR-IRXDYDNUSA-N 2 1 287.407 2.310 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000839095175 644145818 /nfs/dbraw/zinc/14/58/18/644145818.db2.gz DMAHSWYJBVNEKP-UHFFFAOYSA-N 2 1 295.427 2.493 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000839095175 644145820 /nfs/dbraw/zinc/14/58/20/644145820.db2.gz DMAHSWYJBVNEKP-UHFFFAOYSA-N 2 1 295.427 2.493 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCSC(F)(F)F ZINC000886839248 644267706 /nfs/dbraw/zinc/26/77/06/644267706.db2.gz AAXMTIYILFMTCZ-HLTSFMKQSA-N 2 1 256.337 2.216 20 0 CEADMP Cc1noc(C)c1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000754796359 644432039 /nfs/dbraw/zinc/43/20/39/644432039.db2.gz VTNXLCQUUKLTLX-GJZGRUSLSA-N 2 1 277.412 2.440 20 0 CEADMP Cc1c(Cl)cnn1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000755777577 644561744 /nfs/dbraw/zinc/56/17/44/644561744.db2.gz HRPRWKVSEAAVTQ-AWEZNQCLSA-N 2 1 296.846 2.466 20 0 CEADMP Cc1c(Cl)cnn1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000755777577 644561748 /nfs/dbraw/zinc/56/17/48/644561748.db2.gz HRPRWKVSEAAVTQ-AWEZNQCLSA-N 2 1 296.846 2.466 20 0 CEADMP CCOCOc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000857783037 644968104 /nfs/dbraw/zinc/96/81/04/644968104.db2.gz QACFOJUEFULVCB-UHFFFAOYSA-N 2 1 289.379 2.125 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857854313 644982385 /nfs/dbraw/zinc/98/23/85/644982385.db2.gz ZQJATJLWKWNSLM-BXUZGUMPSA-N 2 1 273.384 2.218 20 0 CEADMP CC1CC[NH+](CCC[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858090528 645058214 /nfs/dbraw/zinc/05/82/14/645058214.db2.gz QMYIJYSGCCVVKI-UHFFFAOYSA-N 2 1 265.376 2.432 20 0 CEADMP CO[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(F)(F)F ZINC000858136704 645071667 /nfs/dbraw/zinc/07/16/67/645071667.db2.gz YRDWYANOGSNEMM-ZJUUUORDSA-N 2 1 268.323 2.026 20 0 CEADMP CO[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(F)(F)F ZINC000858136704 645071672 /nfs/dbraw/zinc/07/16/72/645071672.db2.gz YRDWYANOGSNEMM-ZJUUUORDSA-N 2 1 268.323 2.026 20 0 CEADMP CO[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(F)(F)F ZINC000858136702 645072183 /nfs/dbraw/zinc/07/21/83/645072183.db2.gz YRDWYANOGSNEMM-UWVGGRQHSA-N 2 1 268.323 2.026 20 0 CEADMP CO[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(F)(F)F ZINC000858136702 645072187 /nfs/dbraw/zinc/07/21/87/645072187.db2.gz YRDWYANOGSNEMM-UWVGGRQHSA-N 2 1 268.323 2.026 20 0 CEADMP C[C@H](O)CCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212908 645422089 /nfs/dbraw/zinc/42/20/89/645422089.db2.gz PCHRAOGQNXLSSR-AWEZNQCLSA-N 2 1 264.413 2.341 20 0 CEADMP CC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215506 645423335 /nfs/dbraw/zinc/42/33/35/645423335.db2.gz IPLMUEQHJPMKOK-CQSZACIVSA-N 2 1 291.439 2.095 20 0 CEADMP CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215506 645423339 /nfs/dbraw/zinc/42/33/39/645423339.db2.gz IPLMUEQHJPMKOK-CQSZACIVSA-N 2 1 291.439 2.095 20 0 CEADMP CC(C)[C@H](O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000878135693 651011070 /nfs/dbraw/zinc/01/10/70/651011070.db2.gz XWXCSTHYAGZBOA-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP CO[C@H]1C[C@@H](C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000878136192 651011177 /nfs/dbraw/zinc/01/11/77/651011177.db2.gz TXTGVCHHYXGOLU-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)c2ccco2)CC1 ZINC000764770462 645687677 /nfs/dbraw/zinc/68/76/77/645687677.db2.gz TWBKMXPBJWUPKA-CYBMUJFWSA-N 2 1 266.385 2.166 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)CC[N@H+]1C ZINC000765262514 645750125 /nfs/dbraw/zinc/75/01/25/645750125.db2.gz XDNFRHQXOFRULT-KCPJHIHWSA-N 2 1 282.815 2.446 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H](OC)C2)[C@H](C)C1 ZINC000878257306 651047367 /nfs/dbraw/zinc/04/73/67/651047367.db2.gz GJGMXEBJRNYPBH-KBXIAJHMSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2C[C@@H](OC)C2)[C@H](C)C1 ZINC000878257306 651047370 /nfs/dbraw/zinc/04/73/70/651047370.db2.gz GJGMXEBJRNYPBH-KBXIAJHMSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H](OC)C2)[C@H](C)C1 ZINC000878257306 651047372 /nfs/dbraw/zinc/04/73/72/651047372.db2.gz GJGMXEBJRNYPBH-KBXIAJHMSA-N 2 1 254.418 2.074 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000765902873 645819315 /nfs/dbraw/zinc/81/93/15/645819315.db2.gz FSFNVAKFGOQRHM-MRXNPFEDSA-N 2 1 288.435 2.417 20 0 CEADMP COC[C@@H](CC(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765975879 645829648 /nfs/dbraw/zinc/82/96/48/645829648.db2.gz MEUIOZNGZJCWOG-SJORKVTESA-N 2 1 298.471 2.281 20 0 CEADMP O=C(OCC[NH+]1CCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000861392774 646173858 /nfs/dbraw/zinc/17/38/58/646173858.db2.gz ZHPODWVTSOQKGR-UHFFFAOYSA-N 2 1 288.391 2.145 20 0 CEADMP C[C@H]1COCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000769457230 646269957 /nfs/dbraw/zinc/26/99/57/646269957.db2.gz RUUYDFBBLZJRHE-OAHLLOKOSA-N 2 1 292.423 2.095 20 0 CEADMP c1ccc(N2CCCCC2)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000770394084 646387548 /nfs/dbraw/zinc/38/75/48/646387548.db2.gz FAUGNCOIADHQPD-IAGOWNOFSA-N 2 1 285.435 2.328 20 0 CEADMP Cc1c(C[NH2+]C[C@H](C)C[NH+]2CCCC2)ccnc1F ZINC000862273016 646387991 /nfs/dbraw/zinc/38/79/91/646387991.db2.gz XFWNVQPPHZYDOB-LBPRGKRZSA-N 2 1 265.376 2.351 20 0 CEADMP Cc1c(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)ccnc1F ZINC000862283185 646392966 /nfs/dbraw/zinc/39/29/66/646392966.db2.gz CDYYFHCQKVSWHD-UONOGXRCSA-N 2 1 265.376 2.492 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000864067089 646882126 /nfs/dbraw/zinc/88/21/26/646882126.db2.gz FVUWDCSCFPAAPH-KBPBESRZSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCC=CO2)CC1 ZINC000774828361 646900416 /nfs/dbraw/zinc/90/04/16/646900416.db2.gz YFJPDZYPZKLFRX-OAHLLOKOSA-N 2 1 252.402 2.484 20 0 CEADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000864450676 647006631 /nfs/dbraw/zinc/00/66/31/647006631.db2.gz BJYBFAGUSOWHSJ-LXTVHRRPSA-N 2 1 280.460 2.267 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864460949 647016006 /nfs/dbraw/zinc/01/60/06/647016006.db2.gz JLXGVTPUJQIYPT-HNNXBMFYSA-N 2 1 280.460 2.268 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1C ZINC000864945006 647138158 /nfs/dbraw/zinc/13/81/58/647138158.db2.gz FHWZNYACDLWANE-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C2OCCO2)CC1 ZINC000120473103 647222125 /nfs/dbraw/zinc/22/21/25/647222125.db2.gz BIEFQMQUGGKGTJ-UHFFFAOYSA-N 2 1 293.411 2.057 20 0 CEADMP CN(C)c1ccc(F)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000865412413 647282398 /nfs/dbraw/zinc/28/23/98/647282398.db2.gz NQFMLTGFCSQGHG-CYBMUJFWSA-N 2 1 291.414 2.466 20 0 CEADMP CN(C)c1ccc(F)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000865412413 647282403 /nfs/dbraw/zinc/28/24/03/647282403.db2.gz NQFMLTGFCSQGHG-CYBMUJFWSA-N 2 1 291.414 2.466 20 0 CEADMP CC[N@H+](CC[NH2+]C1CCC(CNC(C)=O)CC1)C(C)C ZINC000865443869 647296205 /nfs/dbraw/zinc/29/62/05/647296205.db2.gz DRSPPWJEYJPNSE-UHFFFAOYSA-N 2 1 283.460 2.001 20 0 CEADMP CC[N@@H+](CC[NH2+]C1CCC(CNC(C)=O)CC1)C(C)C ZINC000865443869 647296210 /nfs/dbraw/zinc/29/62/10/647296210.db2.gz DRSPPWJEYJPNSE-UHFFFAOYSA-N 2 1 283.460 2.001 20 0 CEADMP CC(=O)NCC1CCC([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000865600379 647379136 /nfs/dbraw/zinc/37/91/36/647379136.db2.gz LHGDUAOCFNBRDH-AQFXKWCLSA-N 2 1 295.471 2.003 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC2(CCCC2)C1 ZINC000782636243 647647796 /nfs/dbraw/zinc/64/77/96/647647796.db2.gz FWZQALDQYFGGCF-OAHLLOKOSA-N 2 1 266.429 2.099 20 0 CEADMP C[N@H+]1CC[C@H]2CN(c3cc[nH+]c4c(O)cccc34)CC[C@@H]21 ZINC000866208241 647671807 /nfs/dbraw/zinc/67/18/07/647671807.db2.gz LKFDRUHTAWTENZ-JSGCOSHPSA-N 2 1 283.375 2.471 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4c(O)cccc34)CC[C@@H]21 ZINC000866208242 647672030 /nfs/dbraw/zinc/67/20/30/647672030.db2.gz LKFDRUHTAWTENZ-OCCSQVGLSA-N 2 1 283.375 2.471 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCSC2)[C@@H](C)C1 ZINC000866401657 647775222 /nfs/dbraw/zinc/77/52/22/647775222.db2.gz CXLITAZXJQOWPB-MJBXVCDLSA-N 2 1 256.459 2.450 20 0 CEADMP CN1Cc2ccccc2[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000866562203 647825426 /nfs/dbraw/zinc/82/54/26/647825426.db2.gz CWXCNMUXYXAJCX-YCXXCVGLSA-N 2 1 285.435 2.388 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCc2cn(C)c3ncccc23)CC[N@H+]1C ZINC000866570412 647829297 /nfs/dbraw/zinc/82/92/97/647829297.db2.gz GUKAACWONMQIIM-UKRRQHHQSA-N 2 1 286.423 2.188 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000866659727 647858728 /nfs/dbraw/zinc/85/87/28/647858728.db2.gz SQUTWKDSWLTBID-GOEBONIOSA-N 2 1 289.423 2.383 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000866659727 647858733 /nfs/dbraw/zinc/85/87/33/647858733.db2.gz SQUTWKDSWLTBID-GOEBONIOSA-N 2 1 289.423 2.383 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000866666235 647861393 /nfs/dbraw/zinc/86/13/93/647861393.db2.gz NUYUVBFLAAVXHQ-AAVRWANBSA-N 2 1 254.418 2.168 20 0 CEADMP Fc1cccc(OCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000866715546 647880441 /nfs/dbraw/zinc/88/04/41/647880441.db2.gz CRIZEMVQVHBHPG-CZUORRHYSA-N 2 1 278.371 2.278 20 0 CEADMP Fc1cccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000866715546 647880445 /nfs/dbraw/zinc/88/04/45/647880445.db2.gz CRIZEMVQVHBHPG-CZUORRHYSA-N 2 1 278.371 2.278 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OCO2)CC1CC[NH+](C)CC1 ZINC000788472812 648191735 /nfs/dbraw/zinc/19/17/35/648191735.db2.gz BDRRXWWTSRVSIM-UHFFFAOYSA-N 2 1 276.380 2.189 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc[nH]c(=O)c1 ZINC000791133487 648483266 /nfs/dbraw/zinc/48/32/66/648483266.db2.gz BRBBXAATCDIKOR-FPMFFAJLSA-N 2 1 261.369 2.065 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cc[nH]c(=O)c1 ZINC000791133487 648483272 /nfs/dbraw/zinc/48/32/72/648483272.db2.gz BRBBXAATCDIKOR-FPMFFAJLSA-N 2 1 261.369 2.065 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870872698 648939278 /nfs/dbraw/zinc/93/92/78/648939278.db2.gz GYOOBYWCMOAKES-SOUVJXGZSA-N 2 1 295.471 2.131 20 0 CEADMP CCOC1CC(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000871784970 649184156 /nfs/dbraw/zinc/18/41/56/649184156.db2.gz MVZODIZDJJCAEC-QRFUTXMCSA-N 2 1 295.427 2.173 20 0 CEADMP CCOC1CC(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000871784970 649184159 /nfs/dbraw/zinc/18/41/59/649184159.db2.gz MVZODIZDJJCAEC-QRFUTXMCSA-N 2 1 295.427 2.173 20 0 CEADMP C[C@H]1CC[C@H](C)[NH+]1Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871794939 649188608 /nfs/dbraw/zinc/18/86/08/649188608.db2.gz HRCNONDKTSNXAV-WSOGJNRSSA-N 2 1 290.411 2.440 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872021598 649243506 /nfs/dbraw/zinc/24/35/06/649243506.db2.gz CVNSFGXJHHKZRU-CABCVRRESA-N 2 1 286.460 2.138 20 0 CEADMP COC[C@@H](C)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872101891 649275548 /nfs/dbraw/zinc/27/55/48/649275548.db2.gz OVOBLVPWKLSDFP-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)[C@H](C)C1 ZINC000872109857 649280451 /nfs/dbraw/zinc/28/04/51/649280451.db2.gz SRRSJUCUKFPOPJ-OLMNGRFOSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000872125712 649285105 /nfs/dbraw/zinc/28/51/05/649285105.db2.gz BRJDYYYCEGYKDY-NRSFXHEJSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000872125712 649285106 /nfs/dbraw/zinc/28/51/06/649285106.db2.gz BRJDYYYCEGYKDY-NRSFXHEJSA-N 2 1 288.435 2.400 20 0 CEADMP CC1(C)CO[C@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000872142105 649291291 /nfs/dbraw/zinc/29/12/91/649291291.db2.gz KXPDQTNEXIWJBT-AWEZNQCLSA-N 2 1 252.402 2.018 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000872143203 649292250 /nfs/dbraw/zinc/29/22/50/649292250.db2.gz ITIPJMKKCBSGFP-LBPRGKRZSA-N 2 1 263.385 2.114 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000872142512 649292401 /nfs/dbraw/zinc/29/24/01/649292401.db2.gz YZLKWUZWUPROEZ-MJBXVCDLSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000872142512 649292404 /nfs/dbraw/zinc/29/24/04/649292404.db2.gz YZLKWUZWUPROEZ-MJBXVCDLSA-N 2 1 252.402 2.147 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000872143618 649292975 /nfs/dbraw/zinc/29/29/75/649292975.db2.gz UXBBQPZDLZSLJB-HHARLNAUSA-N 2 1 278.440 2.408 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1C ZINC000872144014 649293940 /nfs/dbraw/zinc/29/39/40/649293940.db2.gz UZZKCNLTUVFCIT-AWEZNQCLSA-N 2 1 290.407 2.342 20 0 CEADMP COc1cccc(SCC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872153426 649297588 /nfs/dbraw/zinc/29/75/88/649297588.db2.gz BLWDQETVGOFCIS-XJKSGUPXSA-N 2 1 292.448 2.329 20 0 CEADMP COc1cccc(SCC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872153426 649297590 /nfs/dbraw/zinc/29/75/90/649297590.db2.gz BLWDQETVGOFCIS-XJKSGUPXSA-N 2 1 292.448 2.329 20 0 CEADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CC[C@@H](C(F)(F)F)O1 ZINC000872154007 649298610 /nfs/dbraw/zinc/29/86/10/649298610.db2.gz LPJSJYOHMABJAB-AAEUAGOBSA-N 2 1 294.361 2.418 20 0 CEADMP CCOC(=O)C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156478 649299388 /nfs/dbraw/zinc/29/93/88/649299388.db2.gz KBYWUWOULYORKY-ZFWWWQNUSA-N 2 1 282.428 2.169 20 0 CEADMP CCOC(=O)C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156478 649299390 /nfs/dbraw/zinc/29/93/90/649299390.db2.gz KBYWUWOULYORKY-ZFWWWQNUSA-N 2 1 282.428 2.169 20 0 CEADMP COC(=O)c1ccccc1C[N@@H+](C)CCCCCC[NH3+] ZINC000872155712 649299399 /nfs/dbraw/zinc/29/93/99/649299399.db2.gz TYYVKUDXOJTQOE-UHFFFAOYSA-N 2 1 278.396 2.424 20 0 CEADMP COCC1([N@@H+](C)CCCC2CC[NH2+]CC2)CCC1 ZINC000872156790 649299525 /nfs/dbraw/zinc/29/95/25/649299525.db2.gz DLWPAQAGJFNOMK-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cn3ccccc3n2)C1 ZINC000872251553 649328926 /nfs/dbraw/zinc/32/89/26/649328926.db2.gz MBPWVAXHYWJSCA-CYBMUJFWSA-N 2 1 272.396 2.202 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)CC[NH2+]C1 ZINC000872257090 649330808 /nfs/dbraw/zinc/33/08/08/649330808.db2.gz KYQKRXAKNCZBHU-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](C2CC2)O1 ZINC000873209721 649591066 /nfs/dbraw/zinc/59/10/66/649591066.db2.gz SSRZGTIAAHIUMP-XHDPSFHLSA-N 2 1 292.448 2.393 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](C2CC2)O1 ZINC000873209721 649591067 /nfs/dbraw/zinc/59/10/67/649591067.db2.gz SSRZGTIAAHIUMP-XHDPSFHLSA-N 2 1 292.448 2.393 20 0 CEADMP CCc1nn(C)cc1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000873223172 649596995 /nfs/dbraw/zinc/59/69/95/649596995.db2.gz ILWJPGFECKOLAG-MRXNPFEDSA-N 2 1 278.444 2.179 20 0 CEADMP C[C@@H](C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccc(F)cc1 ZINC000873229181 649600286 /nfs/dbraw/zinc/60/02/86/649600286.db2.gz OOSABDWEXYBOIO-DUVNUKRYSA-N 2 1 262.372 2.471 20 0 CEADMP CC(C)C[C@@H](N)C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232366 649603249 /nfs/dbraw/zinc/60/32/49/649603249.db2.gz XOHZSEQSZYDRIL-HUUCEWRRSA-N 2 1 267.461 2.262 20 0 CEADMP [NH3+]CC1(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000873232228 649603481 /nfs/dbraw/zinc/60/34/81/649603481.db2.gz NMJIBLSIDHKWPX-GOEBONIOSA-N 3 1 279.472 2.345 20 0 CEADMP [NH3+]CC1(CN2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000873232228 649603482 /nfs/dbraw/zinc/60/34/82/649603482.db2.gz NMJIBLSIDHKWPX-GOEBONIOSA-N 2 1 279.472 2.345 20 0 CEADMP C[C@@H]([NH2+]CC[C@H]1CCSC1)c1c[nH+]ccc1N ZINC000873236595 649604955 /nfs/dbraw/zinc/60/49/55/649604955.db2.gz YHPYCBRMACLVRA-MNOVXSKESA-N 2 1 251.399 2.288 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)[C@H]1C ZINC000873237716 649605048 /nfs/dbraw/zinc/60/50/48/649605048.db2.gz TXZZIMDVOVRUIS-AJNGGQMLSA-N 2 1 296.455 2.332 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1noc2ccc(F)cc12 ZINC000873250567 649609421 /nfs/dbraw/zinc/60/94/21/649609421.db2.gz ROCRSQAWJZJSMD-CABZTGNLSA-N 2 1 263.316 2.184 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873251795 649610095 /nfs/dbraw/zinc/61/00/95/649610095.db2.gz OGDRNSOZNMHZID-BGTYHANMSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000873251795 649610099 /nfs/dbraw/zinc/61/00/99/649610099.db2.gz OGDRNSOZNMHZID-BGTYHANMSA-N 2 1 287.451 2.224 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1noc2cc(F)ccc12 ZINC000873276022 649621443 /nfs/dbraw/zinc/62/14/43/649621443.db2.gz PVMITSQBLFMRPZ-CABZTGNLSA-N 2 1 263.316 2.184 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1noc2cc(F)ccc12 ZINC000873276023 649621620 /nfs/dbraw/zinc/62/16/20/649621620.db2.gz PVMITSQBLFMRPZ-JOYOIKCWSA-N 2 1 263.316 2.184 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878512094 651117022 /nfs/dbraw/zinc/11/70/22/651117022.db2.gz LAXXKZAGYKHORU-CVEARBPZSA-N 2 1 296.455 2.131 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000879406496 651298321 /nfs/dbraw/zinc/29/83/21/651298321.db2.gz OMKAZCWJYWGSML-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C1(CO)CCCCCCC1 ZINC000879497951 651312454 /nfs/dbraw/zinc/31/24/54/651312454.db2.gz KATHHKZAPFIJCQ-UHFFFAOYSA-N 2 1 265.401 2.028 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879562098 651321891 /nfs/dbraw/zinc/32/18/91/651321891.db2.gz AGBIBHPWLVVDNN-KGLIPLIRSA-N 2 1 265.426 2.267 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879562098 651321893 /nfs/dbraw/zinc/32/18/93/651321893.db2.gz AGBIBHPWLVVDNN-KGLIPLIRSA-N 2 1 265.426 2.267 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879582318 651327427 /nfs/dbraw/zinc/32/74/27/651327427.db2.gz RKYWLKGOMFBNKW-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879582318 651327428 /nfs/dbraw/zinc/32/74/28/651327428.db2.gz RKYWLKGOMFBNKW-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879582318 651327431 /nfs/dbraw/zinc/32/74/31/651327431.db2.gz RKYWLKGOMFBNKW-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879582318 651327432 /nfs/dbraw/zinc/32/74/32/651327432.db2.gz RKYWLKGOMFBNKW-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258101 651411304 /nfs/dbraw/zinc/41/13/04/651411304.db2.gz CFEVDSNQOHVMRU-KKUMJFAQSA-N 2 1 275.396 2.017 20 0 CEADMP Cc1cnc([C@@H](C)[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cn1 ZINC000880258587 651411328 /nfs/dbraw/zinc/41/13/28/651411328.db2.gz ISEBKQQNYKKVCX-LSDHHAIUSA-N 2 1 297.406 2.452 20 0 CEADMP Cc1cnc([C@@H](C)[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cn1 ZINC000880258587 651411329 /nfs/dbraw/zinc/41/13/29/651411329.db2.gz ISEBKQQNYKKVCX-LSDHHAIUSA-N 2 1 297.406 2.452 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)n1 ZINC000880259096 651411662 /nfs/dbraw/zinc/41/16/62/651411662.db2.gz MRSXRKLHYFFPMJ-INIZCTEOSA-N 2 1 299.422 2.106 20 0 CEADMP CO[C@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C1CC1 ZINC000880259692 651411756 /nfs/dbraw/zinc/41/17/56/651411756.db2.gz ZFBUDRXRMCAXFN-XJKSGUPXSA-N 2 1 275.396 2.017 20 0 CEADMP CCCCOCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260709 651412231 /nfs/dbraw/zinc/41/22/31/651412231.db2.gz FAWDTCINGGMLDD-OAHLLOKOSA-N 2 1 277.412 2.409 20 0 CEADMP CCC(=O)CCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259779 651412277 /nfs/dbraw/zinc/41/22/77/651412277.db2.gz IRJIEXBTZXKJQY-AWEZNQCLSA-N 2 1 275.396 2.351 20 0 CEADMP CCC(=O)CCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259779 651412278 /nfs/dbraw/zinc/41/22/78/651412278.db2.gz IRJIEXBTZXKJQY-AWEZNQCLSA-N 2 1 275.396 2.351 20 0 CEADMP FC[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](CF)C2)C1 ZINC000880296767 651418383 /nfs/dbraw/zinc/41/83/83/651418383.db2.gz GBTRZPDDHZFCIP-GFCAHOMWSA-N 2 1 258.356 2.125 20 0 CEADMP FC[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](CF)C2)C1 ZINC000880296765 651418516 /nfs/dbraw/zinc/41/85/16/651418516.db2.gz GBTRZPDDHZFCIP-CZMZKRSCSA-N 2 1 258.356 2.125 20 0 CEADMP FC[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](CF)C2)C1 ZINC000880296765 651418518 /nfs/dbraw/zinc/41/85/18/651418518.db2.gz GBTRZPDDHZFCIP-CZMZKRSCSA-N 2 1 258.356 2.125 20 0 CEADMP FC[C@@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](CF)C2)C1 ZINC000880296765 651418519 /nfs/dbraw/zinc/41/85/19/651418519.db2.gz GBTRZPDDHZFCIP-CZMZKRSCSA-N 2 1 258.356 2.125 20 0 CEADMP C1CC1[NH+]1CCC([NH2+]C2CCC3(COC3)CC2)CC1 ZINC000883382397 652451241 /nfs/dbraw/zinc/45/12/41/652451241.db2.gz GHSQDOHYJALLKQ-UHFFFAOYSA-N 2 1 264.413 2.162 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCC2(CCOCC2)O1 ZINC000883418941 652462634 /nfs/dbraw/zinc/46/26/34/652462634.db2.gz WICPDLLUFOIYGQ-HUUCEWRRSA-N 2 1 284.444 2.020 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1CC[C@H](c3ccccc3)O1)C2 ZINC000883441484 652471723 /nfs/dbraw/zinc/47/17/23/652471723.db2.gz PPPDHAGQWIHGFK-WNRNVDISSA-N 2 1 286.419 2.448 20 0 CEADMP COc1ccc([C@@H]2CNCC[N@@H+]2CCCCCC[NH3+])cc1 ZINC000883452200 652474526 /nfs/dbraw/zinc/47/45/26/652474526.db2.gz LFOHGHHTMCZOBB-KRWDZBQOSA-N 2 1 291.439 2.161 20 0 CEADMP COc1ccc([C@@H]2CNCC[N@H+]2CCCCCC[NH3+])cc1 ZINC000883452200 652474527 /nfs/dbraw/zinc/47/45/27/652474527.db2.gz LFOHGHHTMCZOBB-KRWDZBQOSA-N 2 1 291.439 2.161 20 0 CEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000883462149 652478106 /nfs/dbraw/zinc/47/81/06/652478106.db2.gz KWSWAOWERDIWBU-GDBMZVCRSA-N 2 1 266.429 2.125 20 0 CEADMP Cc1n[nH]c(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1C ZINC000885901637 653066100 /nfs/dbraw/zinc/06/61/00/653066100.db2.gz NONKVQLQDKMVCI-GFCCVEGCSA-N 2 1 264.417 2.381 20 0 CEADMP Cc1n[nH]c(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1C ZINC000885901637 653066103 /nfs/dbraw/zinc/06/61/03/653066103.db2.gz NONKVQLQDKMVCI-GFCCVEGCSA-N 2 1 264.417 2.381 20 0 CEADMP NC(=[NH2+])N(c1ccc(F)cc1)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001167992182 805591232 /nfs/dbraw/zinc/59/12/32/805591232.db2.gz PICVOGCLWCVGAF-UHFFFAOYSA-N 2 1 284.298 2.316 20 0 CEADMP Cc1cc(F)cc2c1C[N@H+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000262107564 805636891 /nfs/dbraw/zinc/63/68/91/805636891.db2.gz WCMRIDLWJJOORN-INIZCTEOSA-N 2 1 262.372 2.492 20 0 CEADMP Cc1cc(F)cc2c1C[N@@H+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000262107564 805636895 /nfs/dbraw/zinc/63/68/95/805636895.db2.gz WCMRIDLWJJOORN-INIZCTEOSA-N 2 1 262.372 2.492 20 0 CEADMP COC[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000300119801 805804741 /nfs/dbraw/zinc/80/47/41/805804741.db2.gz BMNCTTPOGRRXMY-VIYLOZMYSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2C[C@]2(O)C1 ZINC000895645242 805834961 /nfs/dbraw/zinc/83/49/61/805834961.db2.gz AQAPFFAJLUORJJ-WMZOPIPTSA-N 2 1 288.435 2.211 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2C[C@]2(O)C1 ZINC000895645242 805834971 /nfs/dbraw/zinc/83/49/71/805834971.db2.gz AQAPFFAJLUORJJ-WMZOPIPTSA-N 2 1 288.435 2.211 20 0 CEADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895645242 805834981 /nfs/dbraw/zinc/83/49/81/805834981.db2.gz AQAPFFAJLUORJJ-WMZOPIPTSA-N 2 1 288.435 2.211 20 0 CEADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895645242 805834990 /nfs/dbraw/zinc/83/49/90/805834990.db2.gz AQAPFFAJLUORJJ-WMZOPIPTSA-N 2 1 288.435 2.211 20 0 CEADMP CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001271836735 806111771 /nfs/dbraw/zinc/11/17/71/806111771.db2.gz CUWIQLSTSNASRZ-HOTGVXAUSA-N 2 1 297.487 2.390 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CCO1 ZINC001168093694 806150043 /nfs/dbraw/zinc/15/00/43/806150043.db2.gz WYQGBFGUMISRJX-KBPBESRZSA-N 3 1 285.476 2.029 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001088693389 806644171 /nfs/dbraw/zinc/64/41/71/806644171.db2.gz XSTJDEHAOIGUIK-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H]1C ZINC001088693389 806644172 /nfs/dbraw/zinc/64/41/72/806644172.db2.gz XSTJDEHAOIGUIK-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H]1C ZINC001088693389 806644176 /nfs/dbraw/zinc/64/41/76/806644176.db2.gz XSTJDEHAOIGUIK-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@@H+](CCn1cccn1)C1CCC([NH+](C)C)CC1 ZINC001168327862 806657311 /nfs/dbraw/zinc/65/73/11/806657311.db2.gz RLXJIQBFVWMKNQ-UHFFFAOYSA-N 2 1 264.417 2.078 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000387586847 806843770 /nfs/dbraw/zinc/84/37/70/806843770.db2.gz ORRUILCAYSYPMK-JYJNAYRXSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000387586847 806843777 /nfs/dbraw/zinc/84/37/77/806843777.db2.gz ORRUILCAYSYPMK-JYJNAYRXSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+](C1CC[NH+](CC2CC2)CC1)[C@H]1CC[C@H](O)CC1 ZINC001168371763 806958725 /nfs/dbraw/zinc/95/87/25/806958725.db2.gz HVQUQTYPHKTCDI-KOMQPUFPSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000348329728 806961275 /nfs/dbraw/zinc/96/12/75/806961275.db2.gz RGBAUYGVBVRAGC-QBYUYEEZSA-N 2 1 276.424 2.398 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000348329728 806961281 /nfs/dbraw/zinc/96/12/81/806961281.db2.gz RGBAUYGVBVRAGC-QBYUYEEZSA-N 2 1 276.424 2.398 20 0 CEADMP CO[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1C ZINC000300008923 802342884 /nfs/dbraw/zinc/34/28/84/802342884.db2.gz NRUHLTLUFCHTEL-MOTUXRJWSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC[NH+](C)C ZINC001208128298 802349016 /nfs/dbraw/zinc/34/90/16/802349016.db2.gz BFXLANWHKCFZJP-KRWDZBQOSA-N 2 1 275.440 2.144 20 0 CEADMP C[N@H+]1CCC[C@@H](CN2CCCC[C@H]2C[NH+]2CCCC2)C1 ZINC001208608330 802390371 /nfs/dbraw/zinc/39/03/71/802390371.db2.gz QGEYEQIGOBZJJC-SJORKVTESA-N 2 1 279.472 2.279 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@H](COCC3CC3)C2)C1 ZINC001208614996 802391897 /nfs/dbraw/zinc/39/18/97/802391897.db2.gz GSECQBWVONEOPX-HZPDHXFCSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@H](COCC3CC3)C2)C1 ZINC001208614996 802391903 /nfs/dbraw/zinc/39/19/03/802391903.db2.gz GSECQBWVONEOPX-HZPDHXFCSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@H](COCC3CC3)C2)C1 ZINC001208614996 802391912 /nfs/dbraw/zinc/39/19/12/802391912.db2.gz GSECQBWVONEOPX-HZPDHXFCSA-N 2 1 266.429 2.077 20 0 CEADMP COC(=O)[C@@H](C)C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001208721550 802404535 /nfs/dbraw/zinc/40/45/35/802404535.db2.gz ZJTLUZLXKSQULO-KKUMJFAQSA-N 2 1 282.428 2.134 20 0 CEADMP COC(=O)[C@@H](C)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001208721550 802404539 /nfs/dbraw/zinc/40/45/39/802404539.db2.gz ZJTLUZLXKSQULO-KKUMJFAQSA-N 2 1 282.428 2.134 20 0 CEADMP COC(=O)[C@@H](C)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001208721550 802404542 /nfs/dbraw/zinc/40/45/42/802404542.db2.gz ZJTLUZLXKSQULO-KKUMJFAQSA-N 2 1 282.428 2.134 20 0 CEADMP CC(C)=CC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001266332200 802450044 /nfs/dbraw/zinc/45/00/44/802450044.db2.gz GGLOJRJDGFXKOJ-INIZCTEOSA-N 2 1 295.471 2.264 20 0 CEADMP CC(C)=CC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001266332200 802450047 /nfs/dbraw/zinc/45/00/47/802450047.db2.gz GGLOJRJDGFXKOJ-INIZCTEOSA-N 2 1 295.471 2.264 20 0 CEADMP CC(C)=CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001266332200 802450050 /nfs/dbraw/zinc/45/00/50/802450050.db2.gz GGLOJRJDGFXKOJ-INIZCTEOSA-N 2 1 295.471 2.264 20 0 CEADMP CCCCCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266339215 802459645 /nfs/dbraw/zinc/45/96/45/802459645.db2.gz LSPBNXQRZGVOSX-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCCn1cncc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000090203960 802483407 /nfs/dbraw/zinc/48/34/07/802483407.db2.gz KPPBJYAPQZBZHF-UHFFFAOYSA-N 2 1 264.417 2.259 20 0 CEADMP CCOC(=O)c1ccccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206811943 802487669 /nfs/dbraw/zinc/48/76/69/802487669.db2.gz XBZTUFMFEVSZQI-KGLIPLIRSA-N 2 1 290.407 2.423 20 0 CEADMP CCOC(=O)c1ccccc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206811943 802487673 /nfs/dbraw/zinc/48/76/73/802487673.db2.gz XBZTUFMFEVSZQI-KGLIPLIRSA-N 2 1 290.407 2.423 20 0 CEADMP CC/C=C\CC[N@@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001266362819 802490882 /nfs/dbraw/zinc/49/08/82/802490882.db2.gz WHTLIAOGKPKNCT-HCWFLXIUSA-N 2 1 295.471 2.264 20 0 CEADMP CC/C=C\CC[NH+](C)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001266362819 802490885 /nfs/dbraw/zinc/49/08/85/802490885.db2.gz WHTLIAOGKPKNCT-HCWFLXIUSA-N 2 1 295.471 2.264 20 0 CEADMP CC/C=C\CC[NH+](C)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001266362819 802490891 /nfs/dbraw/zinc/49/08/91/802490891.db2.gz WHTLIAOGKPKNCT-HCWFLXIUSA-N 2 1 295.471 2.264 20 0 CEADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC001209421030 802518935 /nfs/dbraw/zinc/51/89/35/802518935.db2.gz HNHUFFKLBXFEMC-IJEWVQPXSA-N 2 1 266.429 2.218 20 0 CEADMP COc1ccccc1CC[N@H+](C)Cc1c[nH+]ccc1N ZINC001209730315 802563181 /nfs/dbraw/zinc/56/31/81/802563181.db2.gz GMRRLXVNUSFFDG-UHFFFAOYSA-N 2 1 271.364 2.177 20 0 CEADMP COc1ccccc1CC[N@@H+](C)Cc1c[nH+]ccc1N ZINC001209730315 802563185 /nfs/dbraw/zinc/56/31/85/802563185.db2.gz GMRRLXVNUSFFDG-UHFFFAOYSA-N 2 1 271.364 2.177 20 0 CEADMP CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001206952337 802623887 /nfs/dbraw/zinc/62/38/87/802623887.db2.gz LBQJAIZTEQWFFQ-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1CC[C@H](Nc2ccc(COC3CC[NH2+]CC3)cc2)C1 ZINC001167278907 802626462 /nfs/dbraw/zinc/62/64/62/802626462.db2.gz XPXJGYXJQOHSRP-INIZCTEOSA-N 2 1 289.423 2.071 20 0 CEADMP c1cc2c(c(C[NH2+]C3CC[NH+](C4CC4)CC3)c1)OCC2 ZINC000693111653 802654904 /nfs/dbraw/zinc/65/49/04/802654904.db2.gz GMNHQWYIZXFYNV-UHFFFAOYSA-N 2 1 272.392 2.338 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721443889 802776732 /nfs/dbraw/zinc/77/67/32/802776732.db2.gz JJXQUVDDIDTSCL-SRVKXCTJSA-N 2 1 280.334 2.300 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721443889 802776738 /nfs/dbraw/zinc/77/67/38/802776738.db2.gz JJXQUVDDIDTSCL-SRVKXCTJSA-N 2 1 280.334 2.300 20 0 CEADMP CO[C@@H](C[N@@H+](C)C1(C[NH3+])CCCCC1)C1CCC1 ZINC000692289826 802800674 /nfs/dbraw/zinc/80/06/74/802800674.db2.gz POTKYZFLEOWNNT-AWEZNQCLSA-N 2 1 254.418 2.395 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066637 807002434 /nfs/dbraw/zinc/00/24/34/807002434.db2.gz QYMBASAVAPULDX-JKSUJKDBSA-N 2 1 297.487 2.247 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000723678277 802923864 /nfs/dbraw/zinc/92/38/64/802923864.db2.gz FHONDZRXRKGAMU-ZDUSSCGKSA-N 2 1 266.360 2.265 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000723682441 802924642 /nfs/dbraw/zinc/92/46/42/802924642.db2.gz HMEHVCMZVHMVRE-JTQLQIEISA-N 2 1 282.771 2.239 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000723691301 802924967 /nfs/dbraw/zinc/92/49/67/802924967.db2.gz LNNGQFBCNTUEOP-VIFPVBQESA-N 2 1 258.287 2.275 20 0 CEADMP CCCCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266940055 803012529 /nfs/dbraw/zinc/01/25/29/803012529.db2.gz UPUQNAJIDZKLOC-RBSFLKMASA-N 2 1 283.460 2.001 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC001167575697 803145158 /nfs/dbraw/zinc/14/51/58/803145158.db2.gz HCJNBPGWPMWRRI-HNNXBMFYSA-N 2 1 284.444 2.384 20 0 CEADMP CCOC(=O)CCCCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC001167575697 803145161 /nfs/dbraw/zinc/14/51/61/803145161.db2.gz HCJNBPGWPMWRRI-HNNXBMFYSA-N 2 1 284.444 2.384 20 0 CEADMP CCOC(=O)CCCCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC001167575697 803145164 /nfs/dbraw/zinc/14/51/64/803145164.db2.gz HCJNBPGWPMWRRI-HNNXBMFYSA-N 2 1 284.444 2.384 20 0 CEADMP Cn1ccc2c[nH+]c(N3C(C)(C)CC([NH3+])CC3(C)C)nc21 ZINC001167624285 803211557 /nfs/dbraw/zinc/21/15/57/803211557.db2.gz RVNCOADWKCDONZ-UHFFFAOYSA-N 2 1 287.411 2.453 20 0 CEADMP CC[C@@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167626949 803216794 /nfs/dbraw/zinc/21/67/94/803216794.db2.gz IEUBREHCSHNWEI-CVEARBPZSA-N 2 1 297.487 2.391 20 0 CEADMP CC[N@@H+](CCn1ccnc1)C[C@@H]1CCOC(C)(C)C1 ZINC001207365402 803309506 /nfs/dbraw/zinc/30/95/06/803309506.db2.gz LBNBNGDJTKELPI-CQSZACIVSA-N 2 1 265.401 2.410 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000721572845 803418222 /nfs/dbraw/zinc/41/82/22/803418222.db2.gz CKCFHCCPPXVPJP-LSDHHAIUSA-N 2 1 266.429 2.432 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CC[NH2+]CCC2(C)C)c1 ZINC000712576648 814768048 /nfs/dbraw/zinc/76/80/48/814768048.db2.gz KQTWSMLXVQBQBM-UHFFFAOYSA-N 2 1 262.397 2.448 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[NH2+]CCC2(C)C)c1 ZINC000712576648 814768050 /nfs/dbraw/zinc/76/80/50/814768050.db2.gz KQTWSMLXVQBQBM-UHFFFAOYSA-N 2 1 262.397 2.448 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)CCO1 ZINC001117752043 814943355 /nfs/dbraw/zinc/94/33/55/814943355.db2.gz VHIBKKMWECZGQE-APIJFGDWSA-N 2 1 254.418 2.406 20 0 CEADMP Cc1ccccc1O[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207437255 803611226 /nfs/dbraw/zinc/61/12/26/803611226.db2.gz GLKJKNRGESGVRQ-MRXNPFEDSA-N 2 1 274.408 2.448 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](CCc3ccccc3OC)C[C@@H]2C1 ZINC001207458035 803655094 /nfs/dbraw/zinc/65/50/94/803655094.db2.gz NFGKKAXQGYKYFW-IYBDPMFKSA-N 2 1 274.408 2.121 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](CCc3ccccc3OC)C[C@@H]2C1 ZINC001207458035 803655097 /nfs/dbraw/zinc/65/50/97/803655097.db2.gz NFGKKAXQGYKYFW-IYBDPMFKSA-N 2 1 274.408 2.121 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](CCc3ccccc3OC)C[C@@H]2C1 ZINC001207458035 803655100 /nfs/dbraw/zinc/65/51/00/803655100.db2.gz NFGKKAXQGYKYFW-IYBDPMFKSA-N 2 1 274.408 2.121 20 0 CEADMP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267732244 803681810 /nfs/dbraw/zinc/68/18/10/803681810.db2.gz KIDWIXOQVMFXJX-FHQWLQQXSA-N 2 1 295.471 2.264 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)CC[C@@H]1[NH3+] ZINC000715483539 814959675 /nfs/dbraw/zinc/95/96/75/814959675.db2.gz RGJAVTGAQRHPKY-UQOMUDLDSA-N 2 1 252.402 2.003 20 0 CEADMP CC(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001267848133 803773747 /nfs/dbraw/zinc/77/37/47/803773747.db2.gz FJSULQTYMZHUSM-DOTOQJQBSA-N 2 1 295.471 2.001 20 0 CEADMP C[NH+]1CCC(CC[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)CC1 ZINC001207488178 803816265 /nfs/dbraw/zinc/81/62/65/803816265.db2.gz HMDYBKAEGFRWPW-GJZGRUSLSA-N 2 1 264.413 2.019 20 0 CEADMP CC[C@@H](CCC(=O)OC)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222232490 803816679 /nfs/dbraw/zinc/81/66/79/803816679.db2.gz VLVTYNXVICHFDM-HOCLYGCPSA-N 2 1 282.428 2.184 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000715541097 814973999 /nfs/dbraw/zinc/97/39/99/814973999.db2.gz FNCYNYUSVPTCER-CHWSQXEVSA-N 2 1 266.360 2.494 20 0 CEADMP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027440470 804076032 /nfs/dbraw/zinc/07/60/32/804076032.db2.gz HEEFCYAECSZVAM-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)[C@@H]1CCC[NH2+]1 ZINC000423104486 804111865 /nfs/dbraw/zinc/11/18/65/804111865.db2.gz BODQHSFDGQQYBB-QEJZJMRPSA-N 2 1 260.381 2.110 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577140 804133338 /nfs/dbraw/zinc/13/33/38/804133338.db2.gz FTGXRROTHKTBNV-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027577140 804133341 /nfs/dbraw/zinc/13/33/41/804133341.db2.gz FTGXRROTHKTBNV-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001027577140 804133344 /nfs/dbraw/zinc/13/33/44/804133344.db2.gz FTGXRROTHKTBNV-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027603953 804149304 /nfs/dbraw/zinc/14/93/04/804149304.db2.gz MLCMXYRZRGDSRI-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC001118287056 815000096 /nfs/dbraw/zinc/00/00/96/815000096.db2.gz QKQWPBDIIAIRMV-PMPSAXMXSA-N 2 1 295.471 2.132 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H]1CC[C@H](C2CC2)O1 ZINC000722327210 804293027 /nfs/dbraw/zinc/29/30/27/804293027.db2.gz ZGUJDGBMWCWGQZ-WFDRTZIDSA-N 2 1 264.413 2.288 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001027985498 804381234 /nfs/dbraw/zinc/38/12/34/804381234.db2.gz JGYPOMAFBVPBDJ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001027985498 804381241 /nfs/dbraw/zinc/38/12/41/804381241.db2.gz JGYPOMAFBVPBDJ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001027985498 804381247 /nfs/dbraw/zinc/38/12/47/804381247.db2.gz JGYPOMAFBVPBDJ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2COC[C@]2(COC)C1 ZINC001167827476 804391498 /nfs/dbraw/zinc/39/14/98/804391498.db2.gz SZYQVVCQEZZHOA-GVDBMIGSSA-N 2 1 298.471 2.092 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001167828411 804396047 /nfs/dbraw/zinc/39/60/47/804396047.db2.gz YGKPBRFMNFNKPP-ARFHVFGLSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001167833558 804411865 /nfs/dbraw/zinc/41/18/65/804411865.db2.gz CLASTUDYIQONDP-JYJNAYRXSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2ncn(C)c2C1 ZINC001167834904 804421696 /nfs/dbraw/zinc/42/16/96/804421696.db2.gz NSCIIOJGWFRPPJ-AWEZNQCLSA-N 2 1 278.444 2.289 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001167835907 804427979 /nfs/dbraw/zinc/42/79/79/804427979.db2.gz VVTYSNZOHWTXDL-HZPDHXFCSA-N 2 1 293.459 2.426 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC(=O)NC2(CCCC2)C1 ZINC001167836196 804430331 /nfs/dbraw/zinc/43/03/31/804430331.db2.gz XFLRLHKJNOCXEJ-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](O)C[C@H]1C ZINC001167839319 804434925 /nfs/dbraw/zinc/43/49/25/804434925.db2.gz XIWSNHXONUXLAL-ZNMIVQPWSA-N 2 1 256.434 2.342 20 0 CEADMP CCCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001268213159 804546691 /nfs/dbraw/zinc/54/66/91/804546691.db2.gz MUCOJLWIXUBDSX-BZUAXINKSA-N 2 1 297.487 2.247 20 0 CEADMP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001268215519 804548052 /nfs/dbraw/zinc/54/80/52/804548052.db2.gz LVKCEBLSGLLHJI-JFDDCEBESA-N 2 1 295.471 2.265 20 0 CEADMP CCCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001268799721 804976749 /nfs/dbraw/zinc/97/67/49/804976749.db2.gz FYEUGRIEZWVQQA-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001269049920 805033589 /nfs/dbraw/zinc/03/35/89/805033589.db2.gz BSYCQOXBJSQNCI-GJZGRUSLSA-N 2 1 295.471 2.001 20 0 CEADMP CCC[N@H+]1CC[C@H](N(CC)C(=O)CCCC[NH+](C)C)C1 ZINC001269354815 805138807 /nfs/dbraw/zinc/13/88/07/805138807.db2.gz BQZFHNUUGCYBBK-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP c1cnc2cccc(C[NH2+]CCC[NH+]3CCC3)c2c1 ZINC001119028602 815064532 /nfs/dbraw/zinc/06/45/32/815064532.db2.gz OWWCZPZIFWFZAK-UHFFFAOYSA-N 2 1 255.365 2.420 20 0 CEADMP CSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960719 805331643 /nfs/dbraw/zinc/33/16/43/805331643.db2.gz AIUHOLYSVJNYLB-AGUYFDCRSA-N 2 1 254.443 2.344 20 0 CEADMP CC(C)[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167964641 805452437 /nfs/dbraw/zinc/45/24/37/805452437.db2.gz VSHJHSSMYDYFCE-OOKSDGMUSA-N 2 1 291.483 2.464 20 0 CEADMP CC(C)[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167964641 805452443 /nfs/dbraw/zinc/45/24/43/805452443.db2.gz VSHJHSSMYDYFCE-OOKSDGMUSA-N 2 1 291.483 2.464 20 0 CEADMP CC(C)[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167964641 805452449 /nfs/dbraw/zinc/45/24/49/805452449.db2.gz VSHJHSSMYDYFCE-OOKSDGMUSA-N 2 1 291.483 2.464 20 0 CEADMP COCC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964840 805455221 /nfs/dbraw/zinc/45/52/21/805455221.db2.gz YRBVQBLKBPBJGE-GOOCMWNKSA-N 2 1 266.429 2.406 20 0 CEADMP CCC[C@@H](C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C)OC ZINC001119239861 815078230 /nfs/dbraw/zinc/07/82/30/815078230.db2.gz OGWUYDBUXUUFTP-OCCSQVGLSA-N 2 1 253.390 2.232 20 0 CEADMP CC(C)c1ncc(C[N@@H+](C)CC2CC[NH2+]CC2)cn1 ZINC000262009321 805486029 /nfs/dbraw/zinc/48/60/29/805486029.db2.gz UXMGDVPDGDKNDI-UHFFFAOYSA-N 2 1 262.401 2.031 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971576 805499206 /nfs/dbraw/zinc/49/92/06/805499206.db2.gz YZHUHKIHLXXNRD-NYFQHYJGSA-N 2 1 278.440 2.406 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC)CC1 ZINC001029105792 805535380 /nfs/dbraw/zinc/53/53/80/805535380.db2.gz CBAFHSAOCHUHAM-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001031044952 807617454 /nfs/dbraw/zinc/61/74/54/807617454.db2.gz HDPZZXKICLBOJS-INIZCTEOSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001031044952 807617458 /nfs/dbraw/zinc/61/74/58/807617458.db2.gz HDPZZXKICLBOJS-INIZCTEOSA-N 2 1 295.471 2.096 20 0 CEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC001205101352 807631801 /nfs/dbraw/zinc/63/18/01/807631801.db2.gz DEMAGOYBBJUHJR-OAHLLOKOSA-N 2 1 270.380 2.186 20 0 CEADMP COc1c(C)ccc(F)c1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205130414 807734387 /nfs/dbraw/zinc/73/43/87/807734387.db2.gz DWVMRUYTAAYJIA-LBPRGKRZSA-N 2 1 266.360 2.456 20 0 CEADMP COc1c(C)ccc(F)c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205130414 807734389 /nfs/dbraw/zinc/73/43/89/807734389.db2.gz DWVMRUYTAAYJIA-LBPRGKRZSA-N 2 1 266.360 2.456 20 0 CEADMP CC1=CC[C@@H](CC[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1(C)C ZINC001235051921 807763317 /nfs/dbraw/zinc/76/33/17/807763317.db2.gz CESAEFJFGPNZMQ-RDJZCZTQSA-N 2 1 277.456 2.006 20 0 CEADMP CCCC[C@H](CC)C[N@H+]1C[C@H](C(=O)OC)C[C@H]([NH3+])C1 ZINC001235769916 807855175 /nfs/dbraw/zinc/85/51/75/807855175.db2.gz IEGNVYARXCYRQV-MJBXVCDLSA-N 2 1 270.417 2.025 20 0 CEADMP CCCC[C@H](CC)C[N@@H+]1C[C@H](C(=O)OC)C[C@H]([NH3+])C1 ZINC001235769916 807855182 /nfs/dbraw/zinc/85/51/82/807855182.db2.gz IEGNVYARXCYRQV-MJBXVCDLSA-N 2 1 270.417 2.025 20 0 CEADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)C[C@@H]2CCCCN2)CC1 ZINC001236553661 808110452 /nfs/dbraw/zinc/11/04/52/808110452.db2.gz ZZZVBJMSFDWKQF-JYJNAYRXSA-N 2 1 265.445 2.110 20 0 CEADMP [NH3+][C@H]1CC[C@H](N(CC2CC2)C[C@@H]2CCCC[NH2+]2)CC1 ZINC001236553661 808110454 /nfs/dbraw/zinc/11/04/54/808110454.db2.gz ZZZVBJMSFDWKQF-JYJNAYRXSA-N 2 1 265.445 2.110 20 0 CEADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171545655 815187998 /nfs/dbraw/zinc/18/79/98/815187998.db2.gz FEDYSZUHGJPXOL-HUUCEWRRSA-N 2 1 283.460 2.145 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C(C)C)C1 ZINC001032119551 808293828 /nfs/dbraw/zinc/29/38/28/808293828.db2.gz UBCSZIHYEASRDS-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ncccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC000257680783 815198715 /nfs/dbraw/zinc/19/87/15/815198715.db2.gz GZMCQOFKQMPJLS-UHFFFAOYSA-N 2 1 259.397 2.356 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](O)C2)CC1(C)C ZINC001171628908 815200218 /nfs/dbraw/zinc/20/02/18/815200218.db2.gz MECXORYLHFSPSL-CYBMUJFWSA-N 2 1 254.418 2.095 20 0 CEADMP C[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@@H]1O ZINC001171631008 815201926 /nfs/dbraw/zinc/20/19/26/815201926.db2.gz CYQYWLKGYGBANO-OCCSQVGLSA-N 2 1 268.445 2.341 20 0 CEADMP CCC1([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)COC1 ZINC001171622252 815204747 /nfs/dbraw/zinc/20/47/47/815204747.db2.gz YIWQBZDHAUTGGZ-UHFFFAOYSA-N 2 1 254.418 2.406 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001171645723 815206943 /nfs/dbraw/zinc/20/69/43/815206943.db2.gz AEJLIRAWCFLSGT-HZPDHXFCSA-N 2 1 297.487 2.391 20 0 CEADMP CN([C@@H]1CC[N@@H+](C)C1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639524 815214390 /nfs/dbraw/zinc/21/43/90/815214390.db2.gz NONPHODBYVSIQU-CYBMUJFWSA-N 2 1 267.461 2.274 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC1=CCCCC1 ZINC001171725029 815217667 /nfs/dbraw/zinc/21/76/67/815217667.db2.gz DXMNOEXEPSNLPP-UHFFFAOYSA-N 2 1 295.471 2.315 20 0 CEADMP C[C@H]1C[C@@H](N2CCC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC001171743825 815221521 /nfs/dbraw/zinc/22/15/21/815221521.db2.gz CRVJQNKFSYRNOG-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@H]1C[C@@H](N2CCC[N@H+](C)CC2)C[NH+]1Cc1ccccc1 ZINC001171743825 815221528 /nfs/dbraw/zinc/22/15/28/815221528.db2.gz CRVJQNKFSYRNOG-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@H]1C[C@@H](N2CCC[N@@H+](C)CC2)C[NH+]1Cc1ccccc1 ZINC001171743825 815221533 /nfs/dbraw/zinc/22/15/33/815221533.db2.gz CRVJQNKFSYRNOG-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430006 815221739 /nfs/dbraw/zinc/22/17/39/815221739.db2.gz GEMNWCQZUUCGDJ-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001272769555 808640578 /nfs/dbraw/zinc/64/05/78/808640578.db2.gz FTPAKZWGKQXRTI-SHTZXODSSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@H]1C[C@H](N(C)[C@@H]2CC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC001171769001 815228064 /nfs/dbraw/zinc/22/80/64/815228064.db2.gz XWZGABOTEYRWSE-JQHSSLGASA-N 2 1 287.451 2.285 20 0 CEADMP C[C@H]1C[C@H](N(C)[C@@H]2CC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC001171769001 815228068 /nfs/dbraw/zinc/22/80/68/815228068.db2.gz XWZGABOTEYRWSE-JQHSSLGASA-N 2 1 287.451 2.285 20 0 CEADMP C[C@H]1C[C@H](N(C)[C@@H]2CC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC001171769001 815228074 /nfs/dbraw/zinc/22/80/74/815228074.db2.gz XWZGABOTEYRWSE-JQHSSLGASA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1C[C@@H](N(C)[C@@H]2CC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC001171765305 815228759 /nfs/dbraw/zinc/22/87/59/815228759.db2.gz XWZGABOTEYRWSE-KBAYOESNSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1C[C@@H](N(C)[C@@H]2CC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC001171765305 815228762 /nfs/dbraw/zinc/22/87/62/815228762.db2.gz XWZGABOTEYRWSE-KBAYOESNSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1C[C@@H](N(C)[C@@H]2CC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC001171765305 815228765 /nfs/dbraw/zinc/22/87/65/815228765.db2.gz XWZGABOTEYRWSE-KBAYOESNSA-N 2 1 287.451 2.285 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171776983 815231419 /nfs/dbraw/zinc/23/14/19/815231419.db2.gz FTEILCLIISBKTI-ZIAGYGMSSA-N 2 1 262.372 2.367 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171790448 815236801 /nfs/dbraw/zinc/23/68/01/815236801.db2.gz LGSTXKROIXEHFW-KFNAQCHYSA-N 2 1 262.372 2.223 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171790448 815236804 /nfs/dbraw/zinc/23/68/04/815236804.db2.gz LGSTXKROIXEHFW-KFNAQCHYSA-N 2 1 262.372 2.223 20 0 CEADMP Fc1cccc2c1C[C@@H]([N@H+]1CCc3[nH+]ccn3CC1)C2 ZINC001171807137 815241842 /nfs/dbraw/zinc/24/18/42/815241842.db2.gz QCKDEZCCGVGYEJ-ZDUSSCGKSA-N 2 1 271.339 2.048 20 0 CEADMP Fc1cccc2c1C[C@@H]([N@@H+]1CCc3[nH+]ccn3CC1)C2 ZINC001171807137 815241844 /nfs/dbraw/zinc/24/18/44/815241844.db2.gz QCKDEZCCGVGYEJ-ZDUSSCGKSA-N 2 1 271.339 2.048 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC001171948400 815258192 /nfs/dbraw/zinc/25/81/92/815258192.db2.gz IATUWLJUKGJIOI-BOLLXYOYSA-N 2 1 296.455 2.428 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC001171948400 815258195 /nfs/dbraw/zinc/25/81/95/815258195.db2.gz IATUWLJUKGJIOI-BOLLXYOYSA-N 2 1 296.455 2.428 20 0 CEADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172003669 815260769 /nfs/dbraw/zinc/26/07/69/815260769.db2.gz BXMZZXUQBOPVPS-BPUTZDHNSA-N 2 1 293.455 2.120 20 0 CEADMP Cc1cncc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172101288 815282014 /nfs/dbraw/zinc/28/20/14/815282014.db2.gz XVADFMGMXIYRME-MUJYYYPQSA-N 2 1 259.397 2.495 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000700771178 809351277 /nfs/dbraw/zinc/35/12/77/809351277.db2.gz NVDBLYWAHAVNFU-CQSZACIVSA-N 2 1 299.459 2.223 20 0 CEADMP CC[NH+](CC)CCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100639 815284641 /nfs/dbraw/zinc/28/46/41/815284641.db2.gz RDRRJUWYDODNJG-PHZGNYQRSA-N 3 1 267.461 2.323 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(N3CC(F)C3)CC1)C2 ZINC001172125405 815286024 /nfs/dbraw/zinc/28/60/24/815286024.db2.gz QQAHCBBOZFCNEW-BJWYYQGGSA-N 2 1 295.446 2.120 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(N3CC(F)C3)CC1)C2 ZINC001172125405 815286028 /nfs/dbraw/zinc/28/60/28/815286028.db2.gz QQAHCBBOZFCNEW-BJWYYQGGSA-N 2 1 295.446 2.120 20 0 CEADMP COC(=O)CC[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172124640 815286269 /nfs/dbraw/zinc/28/62/69/815286269.db2.gz MJUSNVOESUALBP-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)CC[C@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172124640 815286272 /nfs/dbraw/zinc/28/62/72/815286272.db2.gz MJUSNVOESUALBP-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)CC[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172124640 815286274 /nfs/dbraw/zinc/28/62/74/815286274.db2.gz MJUSNVOESUALBP-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)CC[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172124640 815286277 /nfs/dbraw/zinc/28/62/77/815286277.db2.gz MJUSNVOESUALBP-JONQDZQNSA-N 2 1 294.439 2.277 20 0 CEADMP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033765195 809409550 /nfs/dbraw/zinc/40/95/50/809409550.db2.gz ADVJKQNXXHEQLE-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001033765195 809409555 /nfs/dbraw/zinc/40/95/55/809409555.db2.gz ADVJKQNXXHEQLE-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+](C1CC1)[C@@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172126993 815286743 /nfs/dbraw/zinc/28/67/43/815286743.db2.gz FPMHQDUOIMNFEX-TWMKSMIVSA-N 2 1 277.456 2.170 20 0 CEADMP C[NH+](C1CC1)[C@@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172126993 815286746 /nfs/dbraw/zinc/28/67/46/815286746.db2.gz FPMHQDUOIMNFEX-TWMKSMIVSA-N 2 1 277.456 2.170 20 0 CEADMP C[NH+](C1CC1)[C@@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172126993 815286751 /nfs/dbraw/zinc/28/67/51/815286751.db2.gz FPMHQDUOIMNFEX-TWMKSMIVSA-N 2 1 277.456 2.170 20 0 CEADMP C[NH+]1CC2(C1)CCN([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172127969 815287457 /nfs/dbraw/zinc/28/74/57/815287457.db2.gz MJEDEFPGWDJPRO-ZSHCYNCHSA-N 2 1 277.456 2.029 20 0 CEADMP C[NH+]1CC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172127969 815287460 /nfs/dbraw/zinc/28/74/60/815287460.db2.gz MJEDEFPGWDJPRO-ZSHCYNCHSA-N 3 1 277.456 2.029 20 0 CEADMP C[NH+]1CC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172127969 815287464 /nfs/dbraw/zinc/28/74/64/815287464.db2.gz MJEDEFPGWDJPRO-ZSHCYNCHSA-N 3 1 277.456 2.029 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cn(CC3CC3)cn1)C2 ZINC001172110208 815300322 /nfs/dbraw/zinc/30/03/22/815300322.db2.gz IVHKVNLMEZQQSV-XGBSXSJOSA-N 2 1 288.439 2.398 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cn(CC3CC3)cn1)C2 ZINC001172110208 815300329 /nfs/dbraw/zinc/30/03/29/815300329.db2.gz IVHKVNLMEZQQSV-XGBSXSJOSA-N 2 1 288.439 2.398 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](C(C)C)C1 ZINC001034203640 809548786 /nfs/dbraw/zinc/54/87/86/809548786.db2.gz GKCGAIJNLJATCQ-JKSUJKDBSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034203640 809548790 /nfs/dbraw/zinc/54/87/90/809548790.db2.gz GKCGAIJNLJATCQ-JKSUJKDBSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](C(C)C)C1 ZINC001034203640 809548792 /nfs/dbraw/zinc/54/87/92/809548792.db2.gz GKCGAIJNLJATCQ-JKSUJKDBSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397778 809599443 /nfs/dbraw/zinc/59/94/43/809599443.db2.gz LLBJNQFIQOTWHX-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034397778 809599446 /nfs/dbraw/zinc/59/94/46/809599446.db2.gz LLBJNQFIQOTWHX-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034397778 809599448 /nfs/dbraw/zinc/59/94/48/809599448.db2.gz LLBJNQFIQOTWHX-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034396499 809599578 /nfs/dbraw/zinc/59/95/78/809599578.db2.gz GUWVKHWMAHRVRK-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034396499 809599585 /nfs/dbraw/zinc/59/95/85/809599585.db2.gz GUWVKHWMAHRVRK-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034396499 809599589 /nfs/dbraw/zinc/59/95/89/809599589.db2.gz GUWVKHWMAHRVRK-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCCO1 ZINC001172115714 815303666 /nfs/dbraw/zinc/30/36/66/815303666.db2.gz ZERUKLMCWPADIJ-KBXIAJHMSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCCO1 ZINC001172115714 815303670 /nfs/dbraw/zinc/30/36/70/815303670.db2.gz ZERUKLMCWPADIJ-KBXIAJHMSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCCO1 ZINC001172115714 815303675 /nfs/dbraw/zinc/30/36/75/815303675.db2.gz ZERUKLMCWPADIJ-KBXIAJHMSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC001172115714 815303681 /nfs/dbraw/zinc/30/36/81/815303681.db2.gz ZERUKLMCWPADIJ-KBXIAJHMSA-N 2 1 252.402 2.113 20 0 CEADMP CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001034658173 809655122 /nfs/dbraw/zinc/65/51/22/809655122.db2.gz APSNGZHNFVUNPS-JYJNAYRXSA-N 2 1 295.471 2.288 20 0 CEADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@@]1(C)O ZINC001172116065 815306584 /nfs/dbraw/zinc/30/65/84/815306584.db2.gz AUPMIVOWXIGGPQ-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@@]1(C)O ZINC001172116065 815306589 /nfs/dbraw/zinc/30/65/89/815306589.db2.gz AUPMIVOWXIGGPQ-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[C@@]1(C)O ZINC001172116065 815306594 /nfs/dbraw/zinc/30/65/94/815306594.db2.gz AUPMIVOWXIGGPQ-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[C@@]1(C)O ZINC001172116065 815306600 /nfs/dbraw/zinc/30/66/00/815306600.db2.gz AUPMIVOWXIGGPQ-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP CC(C)OC1CCC([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000703806394 809692606 /nfs/dbraw/zinc/69/26/06/809692606.db2.gz UUWDQTHWABTHKI-XSCHDIRWSA-N 2 1 254.418 2.453 20 0 CEADMP CCOC(=O)C1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172119680 815310592 /nfs/dbraw/zinc/31/05/92/815310592.db2.gz YWLGKRUYVZULPC-MUJYYYPQSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)C1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172119680 815310599 /nfs/dbraw/zinc/31/05/99/815310599.db2.gz YWLGKRUYVZULPC-MUJYYYPQSA-N 2 1 294.439 2.277 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C(C)C ZINC001034980385 809728451 /nfs/dbraw/zinc/72/84/51/809728451.db2.gz UFEHGRVHXRZYEY-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](O)C[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705924380 809793290 /nfs/dbraw/zinc/79/32/90/809793290.db2.gz UWNDWERYLADUED-SZMVWBNQSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000708347220 809926847 /nfs/dbraw/zinc/92/68/47/809926847.db2.gz IMFZCCJZMMIYMY-RFGFWPKPSA-N 2 1 254.418 2.107 20 0 CEADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CC[N@H+](Cc3ccccc3)C1)[NH2+]2 ZINC000709354745 809960590 /nfs/dbraw/zinc/96/05/90/809960590.db2.gz PGIABEVJSUOMLA-QFACEVIFSA-N 2 1 299.462 2.380 20 0 CEADMP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CC[N@@H+](Cc3ccccc3)C1)[NH2+]2 ZINC000709354745 809960598 /nfs/dbraw/zinc/96/05/98/809960598.db2.gz PGIABEVJSUOMLA-QFACEVIFSA-N 2 1 299.462 2.380 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)CC[NH2+]C1 ZINC000709557029 809964544 /nfs/dbraw/zinc/96/45/44/809964544.db2.gz OYOSWACXIILSMN-MNOVXSKESA-N 2 1 250.308 2.260 20 0 CEADMP C[C@]1(C(F)(F)F)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000709597775 809966699 /nfs/dbraw/zinc/96/66/99/809966699.db2.gz WVBJKLZSWQNZKT-QWRGUYRKSA-N 2 1 250.308 2.260 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)OC1 ZINC000709848578 809973024 /nfs/dbraw/zinc/97/30/24/809973024.db2.gz JIYWPPZQKVBEFU-ZBFHGGJFSA-N 2 1 266.429 2.267 20 0 CEADMP c1csc([C@@H]2CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000710466720 809989312 /nfs/dbraw/zinc/98/93/12/809989312.db2.gz LPTXLICJIIZTRZ-CPIKKWJDSA-N 2 1 277.437 2.463 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCCO1 ZINC000710906447 809999437 /nfs/dbraw/zinc/99/94/37/809999437.db2.gz JHCHFSGVEVFDOY-LLVKDONJSA-N 2 1 266.410 2.005 20 0 CEADMP C([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000711091439 810014563 /nfs/dbraw/zinc/01/45/63/810014563.db2.gz UPLWIVSOADJJHO-JKJDWNRSSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000711091439 810014568 /nfs/dbraw/zinc/01/45/68/810014568.db2.gz UPLWIVSOADJJHO-JKJDWNRSSA-N 2 1 264.413 2.018 20 0 CEADMP c1c(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC000711560105 810082780 /nfs/dbraw/zinc/08/27/80/810082780.db2.gz HJPPDCUVJJAUTC-TXEJJXNPSA-N 2 1 280.462 2.189 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000923360854 810089149 /nfs/dbraw/zinc/08/91/49/810089149.db2.gz BIOICYQVFPNKBR-BFYDXBDKSA-N 2 1 292.398 2.181 20 0 CEADMP COC(=O)C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000923372464 810089420 /nfs/dbraw/zinc/08/94/20/810089420.db2.gz HJEXWPOPPQDWKJ-GOOCMWNKSA-N 2 1 294.439 2.325 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000923360856 810089493 /nfs/dbraw/zinc/08/94/93/810089493.db2.gz BIOICYQVFPNKBR-YQQAZPJKSA-N 2 1 292.398 2.181 20 0 CEADMP CCc1onc(C)c1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000923383918 810090135 /nfs/dbraw/zinc/09/01/35/810090135.db2.gz YYLHTVMPVMPIDW-MDZLAQPJSA-N 2 1 265.401 2.351 20 0 CEADMP CCOc1cc(C[NH+]2CCC(C[NH3+])CC2)c(Cl)cn1 ZINC001205058929 810180886 /nfs/dbraw/zinc/18/08/86/810180886.db2.gz YQZWHQGCCBOHAX-UHFFFAOYSA-N 2 1 283.803 2.304 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1O ZINC001206163463 815350384 /nfs/dbraw/zinc/35/03/84/815350384.db2.gz CIKTZQLIXFZJAH-STQMWFEESA-N 2 1 282.359 2.052 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1O ZINC001206163463 815350391 /nfs/dbraw/zinc/35/03/91/815350391.db2.gz CIKTZQLIXFZJAH-STQMWFEESA-N 2 1 282.359 2.052 20 0 CEADMP CC[N@@H+](Cc1cccnc1)C1CCN(CCCOC)CC1 ZINC001172254370 815360949 /nfs/dbraw/zinc/36/09/49/815360949.db2.gz FEHSMGOITRNMNI-UHFFFAOYSA-N 2 1 291.439 2.404 20 0 CEADMP CC[N@H+](Cc1cccnc1)C1CC[NH+](CCCOC)CC1 ZINC001172254370 815360956 /nfs/dbraw/zinc/36/09/56/815360956.db2.gz FEHSMGOITRNMNI-UHFFFAOYSA-N 2 1 291.439 2.404 20 0 CEADMP CC[N@@H+](Cc1cccnc1)C1CC[NH+](CCCOC)CC1 ZINC001172254370 815360963 /nfs/dbraw/zinc/36/09/63/815360963.db2.gz FEHSMGOITRNMNI-UHFFFAOYSA-N 2 1 291.439 2.404 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001172256178 815361241 /nfs/dbraw/zinc/36/12/41/815361241.db2.gz RLEMJJXLMLTFIT-ZDUSSCGKSA-N 2 1 290.398 2.464 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001172256178 815361247 /nfs/dbraw/zinc/36/12/47/815361247.db2.gz RLEMJJXLMLTFIT-ZDUSSCGKSA-N 2 1 290.398 2.464 20 0 CEADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015795428 810356792 /nfs/dbraw/zinc/35/67/92/810356792.db2.gz PPHVESRDSVXJLG-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC)C1 ZINC001082851973 810403990 /nfs/dbraw/zinc/40/39/90/810403990.db2.gz MTHYCQYKEBJHGZ-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+](C1CCOCC1)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC001172289221 815380947 /nfs/dbraw/zinc/38/09/47/815380947.db2.gz UNMHPKVAXWYTHK-MRXNPFEDSA-N 2 1 296.455 2.129 20 0 CEADMP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC001172289221 815380953 /nfs/dbraw/zinc/38/09/53/815380953.db2.gz UNMHPKVAXWYTHK-MRXNPFEDSA-N 2 1 296.455 2.129 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001258907051 810668717 /nfs/dbraw/zinc/66/87/17/810668717.db2.gz DLDXEFDOPSYDQS-ZNMIVQPWSA-N 2 1 274.424 2.149 20 0 CEADMP CC[C@@H](C)OCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172352706 815399906 /nfs/dbraw/zinc/39/99/06/815399906.db2.gz ILQWOCCBIHEANM-LJISPDSOSA-N 2 1 254.418 2.074 20 0 CEADMP CC[C@@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001172352706 815399912 /nfs/dbraw/zinc/39/99/12/815399912.db2.gz ILQWOCCBIHEANM-LJISPDSOSA-N 2 1 254.418 2.074 20 0 CEADMP CC[C@@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001172352706 815399917 /nfs/dbraw/zinc/39/99/17/815399917.db2.gz ILQWOCCBIHEANM-LJISPDSOSA-N 2 1 254.418 2.074 20 0 CEADMP C[C@@H]1CC[C@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)C[C@H]1C ZINC001172363216 815403229 /nfs/dbraw/zinc/40/32/29/815403229.db2.gz DSMNUXMIAWFMRB-OAGGEKHMSA-N 3 1 269.477 2.414 20 0 CEADMP C[C@@H]1CC[C@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)C[C@H]1C ZINC001172363216 815403233 /nfs/dbraw/zinc/40/32/33/815403233.db2.gz DSMNUXMIAWFMRB-OAGGEKHMSA-N 3 1 269.477 2.414 20 0 CEADMP CC(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038780813 810914166 /nfs/dbraw/zinc/91/41/66/810914166.db2.gz NKXPEYBMTNVJNO-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001038780813 810914171 /nfs/dbraw/zinc/91/41/71/810914171.db2.gz NKXPEYBMTNVJNO-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001038780813 810914175 /nfs/dbraw/zinc/91/41/75/810914175.db2.gz NKXPEYBMTNVJNO-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085855722 810946171 /nfs/dbraw/zinc/94/61/71/810946171.db2.gz HUYNRJASYOPTAR-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC(C)C ZINC001039049266 810975667 /nfs/dbraw/zinc/97/56/67/810975667.db2.gz KLTVQGCBZYWKFY-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)C ZINC001039049266 810975673 /nfs/dbraw/zinc/97/56/73/810975673.db2.gz KLTVQGCBZYWKFY-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC(C)C ZINC001039049266 810975680 /nfs/dbraw/zinc/97/56/80/810975680.db2.gz KLTVQGCBZYWKFY-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC(C)C ZINC001085987980 810992386 /nfs/dbraw/zinc/99/23/86/810992386.db2.gz SYOUCAKGGSGCBU-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(C)C ZINC001085987980 810992392 /nfs/dbraw/zinc/99/23/92/810992392.db2.gz SYOUCAKGGSGCBU-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC(C)C ZINC001085987980 810992400 /nfs/dbraw/zinc/99/24/00/810992400.db2.gz SYOUCAKGGSGCBU-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC(C)C ZINC001085987979 810992536 /nfs/dbraw/zinc/99/25/36/810992536.db2.gz SYOUCAKGGSGCBU-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC(C)C ZINC001085987979 810992539 /nfs/dbraw/zinc/99/25/39/810992539.db2.gz SYOUCAKGGSGCBU-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC(C)C ZINC001085987979 810992542 /nfs/dbraw/zinc/99/25/42/810992542.db2.gz SYOUCAKGGSGCBU-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040260230 811100584 /nfs/dbraw/zinc/10/05/84/811100584.db2.gz CIIVORTUSQXELH-NVXWUHKLSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000245415285 811123043 /nfs/dbraw/zinc/12/30/43/811123043.db2.gz DCWYRIBOCMPJBC-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000245415285 811123045 /nfs/dbraw/zinc/12/30/45/811123045.db2.gz DCWYRIBOCMPJBC-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000245415285 811123049 /nfs/dbraw/zinc/12/30/49/811123049.db2.gz DCWYRIBOCMPJBC-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205994100 811260575 /nfs/dbraw/zinc/26/05/75/811260575.db2.gz JFIXXHAPPKLOQT-PWSUYJOCSA-N 2 1 253.415 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c3ccccc3nn2C)CCC[C@@H]1C[NH3+] ZINC001205996198 811308256 /nfs/dbraw/zinc/30/82/56/811308256.db2.gz VZSJEWPEAUPGCJ-ZIAGYGMSSA-N 2 1 286.423 2.380 20 0 CEADMP CCC[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169092637 811364789 /nfs/dbraw/zinc/36/47/89/811364789.db2.gz BWEWEANOJGXPBO-PHZGNYQRSA-N 2 1 265.445 2.076 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)C2 ZINC001169094045 811367703 /nfs/dbraw/zinc/36/77/03/811367703.db2.gz KGRHZHOXTGKUMQ-BTTYYORXSA-N 2 1 297.443 2.116 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099591 811370672 /nfs/dbraw/zinc/37/06/72/811370672.db2.gz CDXGVWDBYUQKRN-NXOAAHMSSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(CC[NH3+])c3ncccc31)C2 ZINC001169099682 811371465 /nfs/dbraw/zinc/37/14/65/811371465.db2.gz DUVDPOBIRLJYOV-FICVDOATSA-N 2 1 284.407 2.335 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ncc3c1cccc3C[NH3+])C2 ZINC001169102150 811372374 /nfs/dbraw/zinc/37/23/74/811372374.db2.gz XSWUZAPEBOWLTR-WDNDVIMCSA-N 2 1 270.380 2.293 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1nc(CC[NH3+])c3ccccc31)C2 ZINC001169101504 811372898 /nfs/dbraw/zinc/37/28/98/811372898.db2.gz SYLFXKCLBIGAIC-WDNDVIMCSA-N 2 1 284.407 2.335 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOc1cccc(F)c1)C2 ZINC001169101273 811375053 /nfs/dbraw/zinc/37/50/53/811375053.db2.gz QEOIFNXTQOYZQO-QDMKHBRRSA-N 2 1 278.371 2.419 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1c3ccccc3CC[C@H]1O)C2 ZINC001169100693 811375142 /nfs/dbraw/zinc/37/51/42/811375142.db2.gz LISWLRBJMBOQGT-SQDXWYPISA-N 2 1 286.419 2.250 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1c3ccccc3CC[C@H]1O)C2 ZINC001169100693 811375150 /nfs/dbraw/zinc/37/51/50/811375150.db2.gz LISWLRBJMBOQGT-SQDXWYPISA-N 2 1 286.419 2.250 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3c(c1)OCCO3)C2 ZINC001169081356 811379040 /nfs/dbraw/zinc/37/90/40/811379040.db2.gz RXZAZCPIMJJACB-QDMKHBRRSA-N 2 1 288.391 2.173 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3c(c1)OCCO3)C2 ZINC001169081356 811379052 /nfs/dbraw/zinc/37/90/52/811379052.db2.gz RXZAZCPIMJJACB-QDMKHBRRSA-N 2 1 288.391 2.173 20 0 CEADMP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169117922 811386164 /nfs/dbraw/zinc/38/61/64/811386164.db2.gz BONBYGYSCDLNRN-JGPUMOJJSA-N 2 1 265.445 2.074 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1)C2 ZINC001169117922 811386175 /nfs/dbraw/zinc/38/61/75/811386175.db2.gz BONBYGYSCDLNRN-JGPUMOJJSA-N 2 1 265.445 2.074 20 0 CEADMP CCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001169118303 811386741 /nfs/dbraw/zinc/38/67/41/811386741.db2.gz HBLASOXCTBBNOF-QDMKHBRRSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@](C)(CO)CC1)C2 ZINC001169125942 811395094 /nfs/dbraw/zinc/39/50/94/811395094.db2.gz NZKNOOFTMSPZQW-FZKCQIBNSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@](C)(CO)CC1)C2 ZINC001169125942 811395103 /nfs/dbraw/zinc/39/51/03/811395103.db2.gz NZKNOOFTMSPZQW-FZKCQIBNSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@](C)(CO)CC1)C2 ZINC001169125942 811395113 /nfs/dbraw/zinc/39/51/13/811395113.db2.gz NZKNOOFTMSPZQW-FZKCQIBNSA-N 2 1 266.429 2.096 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169142391 811408805 /nfs/dbraw/zinc/40/88/05/811408805.db2.gz CFTQCDMUMPFGFC-QXSJWSMHSA-N 2 1 265.445 2.028 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]3(C1)CCCOC3)C2 ZINC001169146412 811411618 /nfs/dbraw/zinc/41/16/18/811411618.db2.gz PFTOZKKDAYINIV-JJXSEGSLSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(C1)CCCOC3)C2 ZINC001169146412 811411620 /nfs/dbraw/zinc/41/16/20/811411620.db2.gz PFTOZKKDAYINIV-JJXSEGSLSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@]3(C1)CCCOC3)C2 ZINC001169146412 811411626 /nfs/dbraw/zinc/41/16/26/811411626.db2.gz PFTOZKKDAYINIV-JJXSEGSLSA-N 2 1 264.413 2.114 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](COCC3CC3)C1)C2 ZINC001169155428 811417748 /nfs/dbraw/zinc/41/77/48/811417748.db2.gz PEXFPIWOCVHJAS-MWDXBVQZSA-N 2 1 278.440 2.360 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](COCC3CC3)C1)C2 ZINC001169155428 811417752 /nfs/dbraw/zinc/41/77/52/811417752.db2.gz PEXFPIWOCVHJAS-MWDXBVQZSA-N 2 1 278.440 2.360 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](COCC3CC3)C1)C2 ZINC001169155428 811417756 /nfs/dbraw/zinc/41/77/56/811417756.db2.gz PEXFPIWOCVHJAS-MWDXBVQZSA-N 2 1 278.440 2.360 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc([O-])c(F)c2F)CCC[C@H]1C[NH3+] ZINC001206004092 811423035 /nfs/dbraw/zinc/42/30/35/811423035.db2.gz QAMPTPZMXMGZKI-QWRGUYRKSA-N 2 1 284.350 2.477 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccc(O)c(F)c2F)CCC[C@H]1C[NH3+] ZINC001206004092 811423038 /nfs/dbraw/zinc/42/30/38/811423038.db2.gz QAMPTPZMXMGZKI-QWRGUYRKSA-N 2 1 284.350 2.477 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(O)c(F)c2F)CCC[C@H]1C[NH3+] ZINC001206004092 811423044 /nfs/dbraw/zinc/42/30/44/811423044.db2.gz QAMPTPZMXMGZKI-QWRGUYRKSA-N 2 1 284.350 2.477 20 0 CEADMP CC[NH+]1CCC(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001169221991 811435139 /nfs/dbraw/zinc/43/51/39/811435139.db2.gz VCPQRBDZYHEQQE-IYBDPMFKSA-N 3 1 281.488 2.428 20 0 CEADMP CCC[N@H+](C1CCOCC1)C1CC[NH+](CC)CC1 ZINC001169262131 811451149 /nfs/dbraw/zinc/45/11/49/811451149.db2.gz SPGCBDYTAJKTNT-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP CCC[N@@H+](C1CCOCC1)C1CC[NH+](CC)CC1 ZINC001169262131 811451152 /nfs/dbraw/zinc/45/11/52/811451152.db2.gz SPGCBDYTAJKTNT-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+]1CCC([NH2+]C2(Cc3cccnc3)CC2)CC1 ZINC001169241482 811459021 /nfs/dbraw/zinc/45/90/21/811459021.db2.gz LQFWQUUBKILBMF-UHFFFAOYSA-N 2 1 259.397 2.231 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)CC1 ZINC001169254058 811465540 /nfs/dbraw/zinc/46/55/40/811465540.db2.gz PDAKVOSRFNZWPS-ZWKOTPCHSA-N 2 1 288.435 2.149 20 0 CEADMP CC[NH+]1CCC([N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)CC1 ZINC001169254058 811465543 /nfs/dbraw/zinc/46/55/43/811465543.db2.gz PDAKVOSRFNZWPS-ZWKOTPCHSA-N 2 1 288.435 2.149 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169276303 811470735 /nfs/dbraw/zinc/47/07/35/811470735.db2.gz ZWZWGGARXHQCPS-FHERZECASA-N 2 1 288.391 2.188 20 0 CEADMP [NH3+][C@H]1CC[N@H+](C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169276303 811470740 /nfs/dbraw/zinc/47/07/40/811470740.db2.gz ZWZWGGARXHQCPS-FHERZECASA-N 2 1 288.391 2.188 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC001206011496 811509015 /nfs/dbraw/zinc/50/90/15/811509015.db2.gz CQWCEKVOPXMPTL-ZFWWWQNUSA-N 2 1 277.412 2.287 20 0 CEADMP Cc1scnc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206011851 811513403 /nfs/dbraw/zinc/51/34/03/811513403.db2.gz GVWDEEYLRSHPAK-ZYHUDNBSSA-N 2 1 253.415 2.258 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(CCO)cc2)CCC[C@H]1C[NH3+] ZINC001206015003 811608441 /nfs/dbraw/zinc/60/84/41/811608441.db2.gz ZFCOOIXZKUVVCB-YOEHRIQHSA-N 2 1 276.424 2.028 20 0 CEADMP CCOc1ccnc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206014663 811614854 /nfs/dbraw/zinc/61/48/54/811614854.db2.gz XWBAJFRBFUJYFI-ZIAGYGMSSA-N 2 1 277.412 2.287 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2ccnc3ccccc23)CC[C@@H]1F ZINC001206166831 815471046 /nfs/dbraw/zinc/47/10/46/815471046.db2.gz VLRREOQWQNKJMT-LSDHHAIUSA-N 2 1 273.355 2.496 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)CC[C@@H]1F ZINC001206166831 815471050 /nfs/dbraw/zinc/47/10/50/815471050.db2.gz VLRREOQWQNKJMT-LSDHHAIUSA-N 2 1 273.355 2.496 20 0 CEADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109932398 811971844 /nfs/dbraw/zinc/97/18/44/811971844.db2.gz JOMDBWZPXGBHGZ-WCVJEAGWSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109932398 811971849 /nfs/dbraw/zinc/97/18/49/811971849.db2.gz JOMDBWZPXGBHGZ-WCVJEAGWSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109932398 811971853 /nfs/dbraw/zinc/97/18/53/811971853.db2.gz JOMDBWZPXGBHGZ-WCVJEAGWSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206173101 815489792 /nfs/dbraw/zinc/48/97/92/815489792.db2.gz DVMBJHAEEFHXQA-UONOGXRCSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206173101 815489796 /nfs/dbraw/zinc/48/97/96/815489796.db2.gz DVMBJHAEEFHXQA-UONOGXRCSA-N 2 1 254.324 2.395 20 0 CEADMP CC(C)CCC[C@@H](C)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001170068652 812040492 /nfs/dbraw/zinc/04/04/92/812040492.db2.gz HNUTTXXNRLZMBL-MRXNPFEDSA-N 2 1 269.477 2.428 20 0 CEADMP CC/C=C\CC[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001113034910 812148977 /nfs/dbraw/zinc/14/89/77/812148977.db2.gz AEGLRCJTTSVANN-HJWRWDBZSA-N 2 1 295.471 2.217 20 0 CEADMP CC/C=C\CC[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001113034910 812148981 /nfs/dbraw/zinc/14/89/81/812148981.db2.gz AEGLRCJTTSVANN-HJWRWDBZSA-N 2 1 295.471 2.217 20 0 CEADMP CCOc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(F)cn1 ZINC001206036772 812157550 /nfs/dbraw/zinc/15/75/50/812157550.db2.gz PVQMJXLVMQMYDC-QWHCGFSZSA-N 2 1 295.402 2.426 20 0 CEADMP CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049531960 812160323 /nfs/dbraw/zinc/16/03/23/812160323.db2.gz FPULUDIKHBSMAH-OAGGEKHMSA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001170210539 812337507 /nfs/dbraw/zinc/33/75/07/812337507.db2.gz CIESOQPAMXALTF-UHFFFAOYSA-N 2 1 297.487 2.250 20 0 CEADMP CC[C@H]1C[C@H]([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)CCO1 ZINC001170215335 812338733 /nfs/dbraw/zinc/33/87/33/812338733.db2.gz BBZWSBXXUHVSSQ-KGLIPLIRSA-N 2 1 295.427 2.074 20 0 CEADMP CC[C@@H]1C[C@H]([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)CCO1 ZINC001170215337 812339548 /nfs/dbraw/zinc/33/95/48/812339548.db2.gz BBZWSBXXUHVSSQ-ZIAGYGMSSA-N 2 1 295.427 2.074 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001170212423 812340116 /nfs/dbraw/zinc/34/01/16/812340116.db2.gz YFJAJASMAXJZDG-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001170222456 812356962 /nfs/dbraw/zinc/35/69/62/812356962.db2.gz JWMSGPSGMPHFDN-OAHLLOKOSA-N 2 1 291.439 2.185 20 0 CEADMP Nc1cccc(N2C[C@H](CC[NH3+])c3ccccc32)[nH+]1 ZINC001157739632 812420938 /nfs/dbraw/zinc/42/09/38/812420938.db2.gz MTJODHPFJRLYQA-NSHDSACASA-N 2 1 254.337 2.248 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052956042 812477927 /nfs/dbraw/zinc/47/79/27/812477927.db2.gz NZEJAXSMEVOBEL-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001052956042 812477930 /nfs/dbraw/zinc/47/79/30/812477930.db2.gz NZEJAXSMEVOBEL-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001052956042 812477936 /nfs/dbraw/zinc/47/79/36/812477936.db2.gz NZEJAXSMEVOBEL-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP COc1ccc2c(C)cc(N3CC[C@@](F)(C[NH3+])C3)[nH+]c2c1 ZINC001157818029 812479526 /nfs/dbraw/zinc/47/95/26/812479526.db2.gz OZVGZQDBYDAHSF-MRXNPFEDSA-N 2 1 289.354 2.429 20 0 CEADMP CC/C=C\CC[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129422722 812492595 /nfs/dbraw/zinc/49/25/95/812492595.db2.gz LGWJJPZPLSTHLR-OGZRUICASA-N 2 1 295.471 2.311 20 0 CEADMP CC[C@H](C)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129430489 812494760 /nfs/dbraw/zinc/49/47/60/812494760.db2.gz SWHIFRLUTGDTIG-GOEBONIOSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCCC1CCCC1 ZINC001130297329 812554937 /nfs/dbraw/zinc/55/49/37/812554937.db2.gz KZHGUXUUKJXBMT-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1cc(C(F)(F)F)cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)[nH+]1 ZINC001170557715 812663664 /nfs/dbraw/zinc/66/36/64/812663664.db2.gz GHMRUIOEOVPWAW-GXSJLCMTSA-N 2 1 289.301 2.198 20 0 CEADMP C[NH+]1CCC2(C[NH+](Cc3n[nH]c4ccccc43)C2)CC1 ZINC001137351304 812706334 /nfs/dbraw/zinc/70/63/34/812706334.db2.gz YUDNDWNRFDRWDO-UHFFFAOYSA-N 2 1 270.380 2.091 20 0 CEADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CCC1CC1 ZINC001132248226 812808580 /nfs/dbraw/zinc/80/85/80/812808580.db2.gz DJEPXTNEKCALGX-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC1CCCC1 ZINC001132266505 812814220 /nfs/dbraw/zinc/81/42/20/812814220.db2.gz XSQICKYIVIZPLS-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(F)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206182686 815555474 /nfs/dbraw/zinc/55/54/74/815555474.db2.gz DACLAHBHVWSFFO-UONOGXRCSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1cc(F)cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206182686 815555477 /nfs/dbraw/zinc/55/54/77/815555477.db2.gz DACLAHBHVWSFFO-UONOGXRCSA-N 2 1 254.324 2.395 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309954 812826460 /nfs/dbraw/zinc/82/64/60/812826460.db2.gz HBFMTMUKFHWEEE-HUUCEWRRSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309954 812826467 /nfs/dbraw/zinc/82/64/67/812826467.db2.gz HBFMTMUKFHWEEE-HUUCEWRRSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132309954 812826479 /nfs/dbraw/zinc/82/64/79/812826479.db2.gz HBFMTMUKFHWEEE-HUUCEWRRSA-N 2 1 297.487 2.343 20 0 CEADMP CCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132409942 812842818 /nfs/dbraw/zinc/84/28/18/812842818.db2.gz HGSYDQGUAIXRIY-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132409942 812842825 /nfs/dbraw/zinc/84/28/25/812842825.db2.gz HGSYDQGUAIXRIY-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132409942 812842833 /nfs/dbraw/zinc/84/28/33/812842833.db2.gz HGSYDQGUAIXRIY-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC(C)C)C1 ZINC001132435891 812850236 /nfs/dbraw/zinc/85/02/36/812850236.db2.gz HMVHNUJCMCVUCA-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(C)C)C1 ZINC001132435891 812850245 /nfs/dbraw/zinc/85/02/45/812850245.db2.gz HMVHNUJCMCVUCA-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(C)C)C1 ZINC001132435891 812850254 /nfs/dbraw/zinc/85/02/54/812850254.db2.gz HMVHNUJCMCVUCA-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052394637 812986834 /nfs/dbraw/zinc/98/68/34/812986834.db2.gz ZLTXKKYOEFQFKN-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052394637 812986837 /nfs/dbraw/zinc/98/68/37/812986837.db2.gz ZLTXKKYOEFQFKN-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001052394637 812986841 /nfs/dbraw/zinc/98/68/41/812986841.db2.gz ZLTXKKYOEFQFKN-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052444898 812993645 /nfs/dbraw/zinc/99/36/45/812993645.db2.gz JCSBXYFRSLARAS-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052444898 812993648 /nfs/dbraw/zinc/99/36/48/812993648.db2.gz JCSBXYFRSLARAS-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052444898 812993652 /nfs/dbraw/zinc/99/36/52/812993652.db2.gz JCSBXYFRSLARAS-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170670499 813011862 /nfs/dbraw/zinc/01/18/62/813011862.db2.gz RXAHUTHQGXHJRQ-MFKMUULPSA-N 2 1 268.351 2.349 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3c[nH]c4ncccc34)C2)C1 ZINC001137404088 813033222 /nfs/dbraw/zinc/03/32/22/813033222.db2.gz AUNZWSQJQICVEC-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3c[nH]c4ncccc34)C2)C1 ZINC001137404088 813033231 /nfs/dbraw/zinc/03/32/31/813033231.db2.gz AUNZWSQJQICVEC-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c[nH]c4ncccc34)C2)C1 ZINC001137404088 813033240 /nfs/dbraw/zinc/03/32/40/813033240.db2.gz AUNZWSQJQICVEC-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133345318 813034125 /nfs/dbraw/zinc/03/41/25/813034125.db2.gz AAHLYVYXNIXSIY-CVEARBPZSA-N 2 1 297.487 2.201 20 0 CEADMP COC1CC[NH+](C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC001255294668 813051919 /nfs/dbraw/zinc/05/19/19/813051919.db2.gz KYKRVJJPONNWED-CQSZACIVSA-N 2 1 284.469 2.067 20 0 CEADMP C[NH+](C)C1CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173135411 815594870 /nfs/dbraw/zinc/59/48/70/815594870.db2.gz NOBJBXGVBZHLEB-GFCCVEGCSA-N 2 1 265.426 2.026 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCOC1 ZINC000388873221 813244101 /nfs/dbraw/zinc/24/41/01/813244101.db2.gz LLPBBIFRRAIOAF-UUQIVFDPSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608657 813298613 /nfs/dbraw/zinc/29/86/13/813298613.db2.gz YWGSAPWMECENBG-UONOGXRCSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H](C[C@H](C)[NH2+]CC1CC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001135477093 813446389 /nfs/dbraw/zinc/44/63/89/813446389.db2.gz QQKWIOXEQQAAQF-UONOGXRCSA-N 2 1 297.487 2.247 20 0 CEADMP CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135679299 813499368 /nfs/dbraw/zinc/49/93/68/813499368.db2.gz MADWSIKODZWGDR-ZIAGYGMSSA-N 2 1 294.443 2.255 20 0 CEADMP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135981234 813577835 /nfs/dbraw/zinc/57/78/35/813577835.db2.gz ZZGJDWLSDLRZLR-KBPBESRZSA-N 2 1 271.449 2.001 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396691346 813580396 /nfs/dbraw/zinc/58/03/96/813580396.db2.gz ZEDBQOXRHRNKGG-IUODEOHRSA-N 2 1 250.361 2.407 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]1 ZINC001246110601 813703824 /nfs/dbraw/zinc/70/38/24/813703824.db2.gz NBIADFFHCHXSDG-RBSFLKMASA-N 3 1 265.445 2.171 20 0 CEADMP CCCC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2C)CC[NH2+]1 ZINC001246119376 813706828 /nfs/dbraw/zinc/70/68/28/813706828.db2.gz JZDHKVBRPKZLCB-CAOSSQGBSA-N 3 1 267.461 2.132 20 0 CEADMP CCc1cc(NC(=[NH2+])c2ccc(C(=O)OC)cc2)cc[nH+]1 ZINC001170989512 813725201 /nfs/dbraw/zinc/72/52/01/813725201.db2.gz ZDUFCUXIIBXCHW-UHFFFAOYSA-N 2 1 283.331 2.290 20 0 CEADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](C)CCCC(C)C ZINC001246199591 813728890 /nfs/dbraw/zinc/72/88/90/813728890.db2.gz KTVBUOVYPYQGQX-ZNMIVQPWSA-N 2 1 284.444 2.332 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc3c[nH]nc31)C2 ZINC001276390371 813854444 /nfs/dbraw/zinc/85/44/44/813854444.db2.gz IAPTUSGOWLNXBO-KRWDZBQOSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc3c[nH]nc31)C2 ZINC001276390371 813854453 /nfs/dbraw/zinc/85/44/53/813854453.db2.gz IAPTUSGOWLNXBO-KRWDZBQOSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc3c[nH]nc31)C2 ZINC001276390371 813854464 /nfs/dbraw/zinc/85/44/64/813854464.db2.gz IAPTUSGOWLNXBO-KRWDZBQOSA-N 2 1 284.407 2.481 20 0 CEADMP CCCCCC[C@H](CCC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246496987 813867117 /nfs/dbraw/zinc/86/71/17/813867117.db2.gz NOPCMDIPJDVNRC-LSDHHAIUSA-N 2 1 255.450 2.277 20 0 CEADMP C1CC1[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1)C1C[NH2+]C1 ZINC001246519278 813887702 /nfs/dbraw/zinc/88/77/02/813887702.db2.gz RKFDWZPNGILEHE-JKSUJKDBSA-N 3 1 277.456 2.029 20 0 CEADMP C[C@]1([NH3+])CCC[N@H+]([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001246550183 813999584 /nfs/dbraw/zinc/99/95/84/813999584.db2.gz JHPFBUPQVACIJG-BBRMVZONSA-N 2 1 262.372 2.496 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001255964352 814063347 /nfs/dbraw/zinc/06/33/47/814063347.db2.gz RDZORTKYDKWHKJ-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@]2(CCO2)C1 ZINC001255964352 814063354 /nfs/dbraw/zinc/06/33/54/814063354.db2.gz RDZORTKYDKWHKJ-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP C[C@@H](Cc1ccncc1)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246573871 814106252 /nfs/dbraw/zinc/10/62/52/814106252.db2.gz ZISMVBBBUXPYKU-IJEWVQPXSA-N 2 1 261.413 2.319 20 0 CEADMP C[C@H]1C[NH2+]CC[N@@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001246575207 814116765 /nfs/dbraw/zinc/11/67/65/814116765.db2.gz WFMKRESZXHQUFU-GXTWGEPZSA-N 2 1 262.372 2.224 20 0 CEADMP C[C@H]1C[NH2+]CC[N@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001246575207 814116768 /nfs/dbraw/zinc/11/67/68/814116768.db2.gz WFMKRESZXHQUFU-GXTWGEPZSA-N 2 1 262.372 2.224 20 0 CEADMP c1[nH+]c(CN2CCC[C@@H]2C[NH+]2CCCC2)c2ccccn12 ZINC001144624585 814125403 /nfs/dbraw/zinc/12/54/03/814125403.db2.gz LLDGAUZCDVJFII-OAHLLOKOSA-N 2 1 284.407 2.395 20 0 CEADMP CC1(C)CCC[C@@H]([N@H+]2CCO[C@]3(CCC[NH2+]C3)C2)C1 ZINC001246622791 814221113 /nfs/dbraw/zinc/22/11/13/814221113.db2.gz RYQSXDVYLRSYRP-ZBFHGGJFSA-N 2 1 266.429 2.410 20 0 CEADMP CCCC(CCC)[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246623365 814221501 /nfs/dbraw/zinc/22/15/01/814221501.db2.gz SIJGVRRBIAJMJF-HNNXBMFYSA-N 2 1 254.418 2.410 20 0 CEADMP COc1ccc2[nH+]c(NC/C=C/C[NH3+])cc(C)c2c1 ZINC001160982423 814308582 /nfs/dbraw/zinc/30/85/82/814308582.db2.gz BZZRAGLMJBSNPY-ONEGZZNKSA-N 2 1 257.337 2.479 20 0 CEADMP C[C@H]1[C@@H](N)CCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246939845 814455769 /nfs/dbraw/zinc/45/57/69/814455769.db2.gz SMWNTPBAHUCRSW-ZFWWWQNUSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@H]1[C@@H]([NH3+])CCCN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246939845 814455772 /nfs/dbraw/zinc/45/57/72/814455772.db2.gz SMWNTPBAHUCRSW-ZFWWWQNUSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@@H]1[C@H](N)CCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246939843 814456036 /nfs/dbraw/zinc/45/60/36/814456036.db2.gz SMWNTPBAHUCRSW-UKRRQHHQSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@@H]1[C@H]([NH3+])CCCN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246939843 814456044 /nfs/dbraw/zinc/45/60/44/814456044.db2.gz SMWNTPBAHUCRSW-UKRRQHHQSA-N 2 1 265.445 2.110 20 0 CEADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550431 814509163 /nfs/dbraw/zinc/50/91/63/814509163.db2.gz QCHKBMSGQKHMLP-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)C1CCCCC1 ZINC000695131080 814638843 /nfs/dbraw/zinc/63/88/43/814638843.db2.gz GSWGYJGTOATACQ-NWANDNLSSA-N 2 1 254.418 2.312 20 0 CEADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000697042262 814645398 /nfs/dbraw/zinc/64/53/98/814645398.db2.gz OINRYRNJAKERHL-ZBFHGGJFSA-N 2 1 266.429 2.410 20 0 CEADMP CCOC[C@@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699232675 814663376 /nfs/dbraw/zinc/66/33/76/814663376.db2.gz IYCKMXQJBOBWRF-UYTSQGDYSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1(CN)CCCCC1 ZINC000699588415 814664339 /nfs/dbraw/zinc/66/43/39/814664339.db2.gz QVYIETDMZVCWHU-UHFFFAOYSA-N 2 1 264.417 2.175 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C1(CN)CCCCC1 ZINC000699588415 814664346 /nfs/dbraw/zinc/66/43/46/814664346.db2.gz QVYIETDMZVCWHU-UHFFFAOYSA-N 2 1 264.417 2.175 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](C)C[C@@H](C)C[NH3+])CC1 ZINC001173107183 815581335 /nfs/dbraw/zinc/58/13/35/815581335.db2.gz KVUJKKNAMMFFRV-NFOMZHRRSA-N 3 1 255.450 2.166 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@H]2CO)CC1 ZINC001173108404 815582662 /nfs/dbraw/zinc/58/26/62/815582662.db2.gz JKCIRQDFLXPNIC-GPANFISMSA-N 2 1 268.445 2.486 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](O)[C@@H](C)C2)CC1 ZINC001173110797 815582823 /nfs/dbraw/zinc/58/28/23/815582823.db2.gz YFNJJIHUZUOBBB-LBDPXKHJSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCC3)O2)[C@H]1C[NH3+] ZINC000712450543 814748745 /nfs/dbraw/zinc/74/87/45/814748745.db2.gz HMSJSFSOTJLTQC-RDBSUJKOSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)O2)[C@H]1C[NH3+] ZINC000712450543 814748748 /nfs/dbraw/zinc/74/87/48/814748748.db2.gz HMSJSFSOTJLTQC-RDBSUJKOSA-N 2 1 252.402 2.147 20 0 CEADMP CCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729503 814751516 /nfs/dbraw/zinc/75/15/16/814751516.db2.gz INTZLLJZVIPYGX-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC001116293815 814844458 /nfs/dbraw/zinc/84/44/58/814844458.db2.gz YQYNVKYVRRANAL-HUUCEWRRSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CCC[C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC001116293815 814844463 /nfs/dbraw/zinc/84/44/63/814844463.db2.gz YQYNVKYVRRANAL-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP CC1(C)CO[C@@H](C[N@H+]2CC[NH2+]CCC23CCC3)C1 ZINC000713240768 814847666 /nfs/dbraw/zinc/84/76/66/814847666.db2.gz DLWHZLIAKYWARB-CYBMUJFWSA-N 2 1 252.402 2.020 20 0 CEADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)OC1 ZINC000713569249 814864485 /nfs/dbraw/zinc/86/44/85/814864485.db2.gz ZLRRMGHIXLLCAA-RBSFLKMASA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)OC1 ZINC000713569252 814864826 /nfs/dbraw/zinc/86/48/26/814864826.db2.gz ZLRRMGHIXLLCAA-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)O1 ZINC000714380598 814893633 /nfs/dbraw/zinc/89/36/33/814893633.db2.gz JDZIPQMHQRSBEC-LJISPDSOSA-N 2 1 266.429 2.393 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)O1 ZINC000714332973 814894243 /nfs/dbraw/zinc/89/42/43/814894243.db2.gz YYQUQDHPBZJUQY-ZBFHGGJFSA-N 2 1 266.429 2.410 20 0 CEADMP c1csc(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000714994159 814921517 /nfs/dbraw/zinc/92/15/17/814921517.db2.gz GODFUTJAEBZXHO-GXTWGEPZSA-N 2 1 250.411 2.365 20 0 CEADMP CC[N@H+]1CC[C@H](N2CCCC[C@H]2C[NH+]2CCCC2)C1 ZINC001173359830 815700433 /nfs/dbraw/zinc/70/04/33/815700433.db2.gz AXTQOCNFQFIXCC-HOTGVXAUSA-N 2 1 265.445 2.031 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CCCC[C@H]2C[NH+]2CCCC2)C1 ZINC001173359832 815700556 /nfs/dbraw/zinc/70/05/56/815700556.db2.gz AXTQOCNFQFIXCC-JKSUJKDBSA-N 2 1 265.445 2.031 20 0 CEADMP COc1ccc(C)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1 ZINC001206199058 815710885 /nfs/dbraw/zinc/71/08/85/815710885.db2.gz NOEWKPMGSKQOOR-CABCVRRESA-N 2 1 266.360 2.265 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc4nccnc34)C[C@@H]2C1 ZINC001138308099 815764518 /nfs/dbraw/zinc/76/45/18/815764518.db2.gz YYSMIKBDUFDXMQ-HOTGVXAUSA-N 2 1 296.418 2.403 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001173623892 815766839 /nfs/dbraw/zinc/76/68/39/815766839.db2.gz WHYPLJZCPYDIHJ-XHSDSOJGSA-N 2 1 296.455 2.430 20 0 CEADMP CCOc1cc(OC)ccc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206209032 815790537 /nfs/dbraw/zinc/79/05/37/815790537.db2.gz AFJPQPYAIQLJQQ-CABCVRRESA-N 2 1 296.386 2.355 20 0 CEADMP CCOc1cc(OC)ccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206209032 815790540 /nfs/dbraw/zinc/79/05/40/815790540.db2.gz AFJPQPYAIQLJQQ-CABCVRRESA-N 2 1 296.386 2.355 20 0 CEADMP Cn1ccc2ccc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc21 ZINC001139206590 815984372 /nfs/dbraw/zinc/98/43/72/815984372.db2.gz FFSYFHGYSDKMJY-IYBDPMFKSA-N 2 1 269.392 2.172 20 0 CEADMP Cn1ccc2ccc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)cc21 ZINC001139206590 815984373 /nfs/dbraw/zinc/98/43/73/815984373.db2.gz FFSYFHGYSDKMJY-IYBDPMFKSA-N 2 1 269.392 2.172 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@@]1(C)O ZINC001139356180 816011403 /nfs/dbraw/zinc/01/14/03/816011403.db2.gz HNNDBGGLCXMGQM-WMLDXEAASA-N 2 1 285.391 2.465 20 0 CEADMP Cn1ncc2cc(C[N@H+](C)CCC[NH+]3CCCC3)ccc21 ZINC001139950952 816149218 /nfs/dbraw/zinc/14/92/18/816149218.db2.gz PTVGVXMVGNGXQW-UHFFFAOYSA-N 2 1 286.423 2.491 20 0 CEADMP Cn1ncc2cc(C[N@@H+](C)CCC[NH+]3CCCC3)ccc21 ZINC001139950952 816149222 /nfs/dbraw/zinc/14/92/22/816149222.db2.gz PTVGVXMVGNGXQW-UHFFFAOYSA-N 2 1 286.423 2.491 20 0 CEADMP Cc1ccc2[nH]nc(C[NH+]3CCC4(C[NH+](C)C4)CC3)c2c1 ZINC001140333800 816235780 /nfs/dbraw/zinc/23/57/80/816235780.db2.gz QGRXFPUXTRWXMM-UHFFFAOYSA-N 2 1 284.407 2.399 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(O)c(C)c3)C[C@@H]2C1 ZINC001140576218 816287258 /nfs/dbraw/zinc/28/72/58/816287258.db2.gz LWLLMRBFBRRSAL-IYBDPMFKSA-N 2 1 274.408 2.474 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(O)c(C)c3)C[C@@H]2C1 ZINC001140576218 816287266 /nfs/dbraw/zinc/28/72/66/816287266.db2.gz LWLLMRBFBRRSAL-IYBDPMFKSA-N 2 1 274.408 2.474 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(O)c(C)c3)C[C@@H]2C1 ZINC001140576218 816287273 /nfs/dbraw/zinc/28/72/73/816287273.db2.gz LWLLMRBFBRRSAL-IYBDPMFKSA-N 2 1 274.408 2.474 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(O)c(C)c3)C[C@@H]2C1 ZINC001140576218 816287279 /nfs/dbraw/zinc/28/72/79/816287279.db2.gz LWLLMRBFBRRSAL-IYBDPMFKSA-N 2 1 274.408 2.474 20 0 CEADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)ccc1O ZINC001140577144 816287364 /nfs/dbraw/zinc/28/73/64/816287364.db2.gz KJHPRPDFECKOBY-CABCVRRESA-N 2 1 260.381 2.084 20 0 CEADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc1O ZINC001140577144 816287370 /nfs/dbraw/zinc/28/73/70/816287370.db2.gz KJHPRPDFECKOBY-CABCVRRESA-N 2 1 260.381 2.084 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc1O ZINC001140577144 816287373 /nfs/dbraw/zinc/28/73/73/816287373.db2.gz KJHPRPDFECKOBY-CABCVRRESA-N 2 1 260.381 2.084 20 0 CEADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OC)cc3C)C[C@H]2C1 ZINC001140680799 816320639 /nfs/dbraw/zinc/32/06/39/816320639.db2.gz WVJPTBXSRKFNKH-HZPDHXFCSA-N 2 1 274.408 2.387 20 0 CEADMP c1c[nH+]c(Nc2ccc(CC[NH+]3CCOCC3)cc2)[nH]1 ZINC001176084967 816338161 /nfs/dbraw/zinc/33/81/61/816338161.db2.gz ZBDCAQYATYKFMI-UHFFFAOYSA-N 2 1 272.352 2.028 20 0 CEADMP CC[N@@H+]1CCCN(Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140800204 816359776 /nfs/dbraw/zinc/35/97/76/816359776.db2.gz ZFMKKGCCRQDCTE-UHFFFAOYSA-N 2 1 258.369 2.091 20 0 CEADMP CC[N@H+]1CCCN(Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140800204 816359782 /nfs/dbraw/zinc/35/97/82/816359782.db2.gz ZFMKKGCCRQDCTE-UHFFFAOYSA-N 2 1 258.369 2.091 20 0 CEADMP CC(C)C[NH+]1CCN(Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140801582 816359917 /nfs/dbraw/zinc/35/99/17/816359917.db2.gz SKNJIKFBVOSVMM-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001140807458 816370231 /nfs/dbraw/zinc/37/02/31/816370231.db2.gz ZZMSOESFHTZWQB-CQSZACIVSA-N 2 1 270.380 2.233 20 0 CEADMP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563591 816441039 /nfs/dbraw/zinc/44/10/39/816441039.db2.gz FZSDRFSWHQDOEX-HOCLYGCPSA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]C(C)C)C12CCC2 ZINC001203102657 816503867 /nfs/dbraw/zinc/50/38/67/816503867.db2.gz IVLKBARJNFTXES-ZIAGYGMSSA-N 2 1 295.471 2.142 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1O ZINC001206293451 816521647 /nfs/dbraw/zinc/52/16/47/816521647.db2.gz HROJBPJTKRUHCA-MRXNPFEDSA-N 2 1 278.396 2.352 20 0 CEADMP Cc1cccn2c(C[NH2+]CCC[NH+]3CCCC3)cnc12 ZINC001177135998 816524401 /nfs/dbraw/zinc/52/44/01/816524401.db2.gz CTKLMBDMHCOMJA-UHFFFAOYSA-N 2 1 272.396 2.218 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCC2CCOCC2)CC1 ZINC001206295702 816527407 /nfs/dbraw/zinc/52/74/07/816527407.db2.gz NBIITJUCJQAKIA-OAHLLOKOSA-N 2 1 254.418 2.254 20 0 CEADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045682 816663447 /nfs/dbraw/zinc/66/34/47/816663447.db2.gz RVMAVZHPQIGBCE-HZPDHXFCSA-N 2 1 297.487 2.393 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@@H]1CCCCO1 ZINC001178295000 816717658 /nfs/dbraw/zinc/71/76/58/816717658.db2.gz IYMDXPKFGLPBFU-AWEZNQCLSA-N 2 1 263.385 2.196 20 0 CEADMP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178361223 816732271 /nfs/dbraw/zinc/73/22/71/816732271.db2.gz VXRKPLRXQFAUKT-YLGZPNTESA-N 2 1 293.455 2.016 20 0 CEADMP CC[N@@H+](Cc1ccnc2[nH]ccc21)C1CCN(C)CC1 ZINC001142880512 816748223 /nfs/dbraw/zinc/74/82/23/816748223.db2.gz DNLDRZSELNUGNQ-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccnc4[nH]ccc43)C[C@@H]2C1 ZINC001142884162 816750029 /nfs/dbraw/zinc/75/00/29/816750029.db2.gz WXNPABAPRVQTKF-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccnc4[nH]ccc43)C[C@@H]2C1 ZINC001142884162 816750034 /nfs/dbraw/zinc/75/00/34/816750034.db2.gz WXNPABAPRVQTKF-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccnc4[nH]ccc43)C[C@@H]2C1 ZINC001142884162 816750042 /nfs/dbraw/zinc/75/00/42/816750042.db2.gz WXNPABAPRVQTKF-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(Cc3cc4cccnc4[nH]3)C2)C1 ZINC001143221961 816814861 /nfs/dbraw/zinc/81/48/61/816814861.db2.gz SEBVOOOYEMFJIL-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP CCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001179590977 816881499 /nfs/dbraw/zinc/88/14/99/816881499.db2.gz NHHIVJUKYOTEHB-HOTGVXAUSA-N 2 1 297.487 2.250 20 0 CEADMP CCCC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179585077 816885760 /nfs/dbraw/zinc/88/57/60/816885760.db2.gz CBKIISVRYBZPFK-INIZCTEOSA-N 2 1 297.487 2.395 20 0 CEADMP C[C@H](Nc1[nH+]cnc2[nH]ccc21)C1=CC[N@H+](C)CC1 ZINC000273033207 192025720 /nfs/dbraw/zinc/02/57/20/192025720.db2.gz VETCIVYJEOPDGY-JTQLQIEISA-N 2 1 257.341 2.020 20 0 CEADMP C[C@H](Nc1[nH+]cnc2[nH]ccc21)C1=CC[N@@H+](C)CC1 ZINC000273033207 192025721 /nfs/dbraw/zinc/02/57/21/192025721.db2.gz VETCIVYJEOPDGY-JTQLQIEISA-N 2 1 257.341 2.020 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000449077110 282090902 /nfs/dbraw/zinc/09/09/02/282090902.db2.gz IXSCKJDXXBUBSL-QLFBSQMISA-N 2 1 256.434 2.369 20 0 CEADMP C[C@H](CC(C)(C)C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000449090546 282096245 /nfs/dbraw/zinc/09/62/45/282096245.db2.gz GWQNIJTXLPBQDI-CYBMUJFWSA-N 2 1 256.434 2.248 20 0 CEADMP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)sc1C ZINC000127681847 187325435 /nfs/dbraw/zinc/32/54/35/187325435.db2.gz PPHLBPCDMOOZPX-MFKMUULPSA-N 2 1 267.442 2.375 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCO[C@H]3C)CC2)[nH+]1 ZINC000121230522 365538772 /nfs/dbraw/zinc/53/87/72/365538772.db2.gz BPSLRQMBYIIPBM-DZGCQCFKSA-N 2 1 275.396 2.126 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000121519273 365578823 /nfs/dbraw/zinc/57/88/23/365578823.db2.gz MMRQKYNSCAPZIE-AWEZNQCLSA-N 3 1 278.444 2.290 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cnn(C)c1 ZINC000121419324 365565446 /nfs/dbraw/zinc/56/54/46/365565446.db2.gz RPVOOYUNYDXRSA-IUODEOHRSA-N 2 1 275.400 2.302 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000449109981 282103776 /nfs/dbraw/zinc/10/37/76/282103776.db2.gz ZXPAUARORHMKOA-HUUCEWRRSA-N 2 1 297.487 2.247 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449126071 282110470 /nfs/dbraw/zinc/11/04/70/282110470.db2.gz UKLFWKJBYHNFHL-GJZGRUSLSA-N 2 1 297.487 2.391 20 0 CEADMP CCc1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)cn1 ZINC000336558279 365643371 /nfs/dbraw/zinc/64/33/71/365643371.db2.gz UGFPJHXMBLTNQX-GDBMZVCRSA-N 2 1 259.397 2.170 20 0 CEADMP Cc1nc(C2CC[NH+](CCCn3cc[nH+]c3C)CC2)no1 ZINC000125115023 187170787 /nfs/dbraw/zinc/17/07/87/187170787.db2.gz JHZJHVOCGZEBSH-UHFFFAOYSA-N 2 1 289.383 2.153 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(n2ccnc2)CC1 ZINC000125158154 187172252 /nfs/dbraw/zinc/17/22/52/187172252.db2.gz UGNHBIOKWKLFHN-AWEZNQCLSA-N 2 1 262.401 2.004 20 0 CEADMP COC[C@H](CC(C)C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414928847 293092119 /nfs/dbraw/zinc/09/21/19/293092119.db2.gz NNLVJMXXMHKBTD-UONOGXRCSA-N 2 1 256.434 2.415 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996448 361879790 /nfs/dbraw/zinc/87/97/90/361879790.db2.gz KPJUCXOYCLFQQN-JKSUJKDBSA-N 2 1 260.381 2.412 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996448 361879796 /nfs/dbraw/zinc/87/97/96/361879796.db2.gz KPJUCXOYCLFQQN-JKSUJKDBSA-N 2 1 260.381 2.412 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnc(C)nc2C)C1 ZINC000121822687 539031170 /nfs/dbraw/zinc/03/11/70/539031170.db2.gz FFJVWOGKJFLUKU-WFASDCNBSA-N 2 1 276.428 2.476 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnc(C)nc2C)C1 ZINC000121822687 539031172 /nfs/dbraw/zinc/03/11/72/539031172.db2.gz FFJVWOGKJFLUKU-WFASDCNBSA-N 2 1 276.428 2.476 20 0 CEADMP CCC[NH+]1CCC([NH2+]CCCn2cc[nH+]c2C)CC1 ZINC000338009887 214359216 /nfs/dbraw/zinc/35/92/16/214359216.db2.gz CLCLZHLULTXRDY-UHFFFAOYSA-N 3 1 264.417 2.046 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000338016774 214363231 /nfs/dbraw/zinc/36/32/31/214363231.db2.gz XXQAKMZMFVWWDJ-UHFFFAOYSA-N 3 1 278.444 2.434 20 0 CEADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000338079300 214391000 /nfs/dbraw/zinc/39/10/00/214391000.db2.gz GABPMBXLMZFBDY-YHUYYLMFSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621648876 349650127 /nfs/dbraw/zinc/65/01/27/349650127.db2.gz AZZXSCDETFGNJW-HOTGVXAUSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)[N@H+]1CCCC[C@H]1C ZINC000621642554 349650257 /nfs/dbraw/zinc/65/02/57/349650257.db2.gz QGCRAVNWVBVSEV-OWCLPIDISA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)Oc1ccccc1CN(C)CC1C[NH+](C)C1 ZINC000668537237 539192221 /nfs/dbraw/zinc/19/22/21/539192221.db2.gz CJFNKICICBAJPA-UHFFFAOYSA-N 2 1 262.397 2.467 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCN(C)c2ccccc2)CC[N@H+]1C ZINC000125866597 187203231 /nfs/dbraw/zinc/20/32/31/187203231.db2.gz RNCYNAROVPVWBF-CABCVRRESA-N 2 1 261.413 2.195 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cncc(Cl)c1 ZINC000621776698 349699665 /nfs/dbraw/zinc/69/96/65/349699665.db2.gz SYOITBFBMYFCMO-GFCCVEGCSA-N 2 1 253.777 2.213 20 0 CEADMP COc1c(C)c[nH+]c(CN2C[C@@H]3CCC[C@]3([NH3+])C2)c1C ZINC000621783216 349701763 /nfs/dbraw/zinc/70/17/63/349701763.db2.gz YUQNETYGIRLERH-BBRMVZONSA-N 2 1 275.396 2.020 20 0 CEADMP COc1ccccc1CCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784418 349702407 /nfs/dbraw/zinc/70/24/07/349702407.db2.gz OORFNQKTJPOHLM-NVXWUHKLSA-N 2 1 274.408 2.441 20 0 CEADMP COc1ccccc1CCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784418 349702409 /nfs/dbraw/zinc/70/24/09/349702409.db2.gz OORFNQKTJPOHLM-NVXWUHKLSA-N 2 1 274.408 2.441 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000621775124 349697354 /nfs/dbraw/zinc/69/73/54/349697354.db2.gz GUSODTNHHFZAIN-LLVKDONJSA-N 2 1 253.777 2.296 20 0 CEADMP CC(C)C[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000396824689 539217676 /nfs/dbraw/zinc/21/76/76/539217676.db2.gz FBEKIWFKOKHWJB-CABCVRRESA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)C[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000396824689 539217677 /nfs/dbraw/zinc/21/76/77/539217677.db2.gz FBEKIWFKOKHWJB-CABCVRRESA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)C[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000396824689 539217678 /nfs/dbraw/zinc/21/76/78/539217678.db2.gz FBEKIWFKOKHWJB-CABCVRRESA-N 2 1 256.434 2.198 20 0 CEADMP CCn1cc(CC[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cn1 ZINC000621776279 349698272 /nfs/dbraw/zinc/69/82/72/349698272.db2.gz HUFMMUSTSYRKIJ-GDBMZVCRSA-N 2 1 278.444 2.285 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000668675675 539233608 /nfs/dbraw/zinc/23/36/08/539233608.db2.gz GAGRNDDDPKZHFQ-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)C(C)(C)C ZINC000668739027 539254844 /nfs/dbraw/zinc/25/48/44/539254844.db2.gz IPGFBBMJTSCIET-UKRRQHHQSA-N 2 1 268.445 2.200 20 0 CEADMP C[C@H](Cc1ccsc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668740579 539256185 /nfs/dbraw/zinc/25/61/85/539256185.db2.gz VWLDBOHDOPJNNF-CJNGLKHVSA-N 2 1 294.464 2.210 20 0 CEADMP C[C@H](Cc1ccsc1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668740579 539256186 /nfs/dbraw/zinc/25/61/86/539256186.db2.gz VWLDBOHDOPJNNF-CJNGLKHVSA-N 2 1 294.464 2.210 20 0 CEADMP C(C[C@H]1CCOC1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668820604 539278242 /nfs/dbraw/zinc/27/82/42/539278242.db2.gz WYJSDRNESRJOEH-HOTGVXAUSA-N 2 1 266.429 2.125 20 0 CEADMP CN(CC[N@@H+](C)CC1CCCC1)C1CC[NH+](C)CC1 ZINC000126444805 365711234 /nfs/dbraw/zinc/71/12/34/365711234.db2.gz WYDHPPWOCDKWMX-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cncs2)[C@H](C)C1 ZINC000136154396 539294235 /nfs/dbraw/zinc/29/42/35/539294235.db2.gz KPUJNUMFMIIIMH-HIFRSBDPSA-N 2 1 297.468 2.370 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cncs2)[C@H](C)C1 ZINC000136154396 539294236 /nfs/dbraw/zinc/29/42/36/539294236.db2.gz KPUJNUMFMIIIMH-HIFRSBDPSA-N 2 1 297.468 2.370 20 0 CEADMP CC[C@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000412391876 529697017 /nfs/dbraw/zinc/69/70/17/529697017.db2.gz MKCOIEBMVBSGFP-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP COCC[NH+]1CCC([NH2+]Cc2cc(C)cs2)CC1 ZINC000449477752 282252767 /nfs/dbraw/zinc/25/27/67/282252767.db2.gz IZGASPZQQWCYCC-UHFFFAOYSA-N 2 1 268.426 2.257 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CO)CC1 ZINC000675925641 539308215 /nfs/dbraw/zinc/30/82/15/539308215.db2.gz KWPIDRNGNYYROL-RDJZCZTQSA-N 2 1 288.435 2.259 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000044535833 343474288 /nfs/dbraw/zinc/47/42/88/343474288.db2.gz GTSYEDAWRRYBIL-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1)O[C@@H](C)C2 ZINC000227876625 539323370 /nfs/dbraw/zinc/32/33/70/539323370.db2.gz ZXBYRZCHIHXPAQ-HUBLWGQQSA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)O[C@@H](C)C2 ZINC000227876625 539323371 /nfs/dbraw/zinc/32/33/71/539323371.db2.gz ZXBYRZCHIHXPAQ-HUBLWGQQSA-N 2 1 290.407 2.188 20 0 CEADMP Cc1csc([C@@H]([NH2+]CCc2c[nH+]cn2C)C2CC2)n1 ZINC000298252507 539328385 /nfs/dbraw/zinc/32/83/85/539328385.db2.gz DNANAPXVMUHNCE-ZDUSSCGKSA-N 2 1 276.409 2.468 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC2CC2)C[C@@H]1C ZINC000336712533 365776359 /nfs/dbraw/zinc/77/63/59/365776359.db2.gz OPVUYYIYQAXGKE-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC2CC2)C[C@@H]1C ZINC000336712533 365776364 /nfs/dbraw/zinc/77/63/64/365776364.db2.gz OPVUYYIYQAXGKE-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC2CC2)C[C@@H]1C ZINC000336712533 365776367 /nfs/dbraw/zinc/77/63/67/365776367.db2.gz OPVUYYIYQAXGKE-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1cc(N2CCC([N@H+](C)CC3CC3)CC2)nc(C)[nH+]1 ZINC000128390956 365786424 /nfs/dbraw/zinc/78/64/24/365786424.db2.gz NCLVDBAMKCWDTO-UHFFFAOYSA-N 2 1 274.412 2.404 20 0 CEADMP Cc1cc(N2CCC([N@@H+](C)CC3CC3)CC2)nc(C)[nH+]1 ZINC000128390956 365786431 /nfs/dbraw/zinc/78/64/31/365786431.db2.gz NCLVDBAMKCWDTO-UHFFFAOYSA-N 2 1 274.412 2.404 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000062426947 343671677 /nfs/dbraw/zinc/67/16/77/343671677.db2.gz YEFWNGCXGRVEEO-MRXNPFEDSA-N 2 1 299.422 2.087 20 0 CEADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351473614 219099791 /nfs/dbraw/zinc/09/97/91/219099791.db2.gz DMSGNBPXZJLZQR-UNQGMJICSA-N 2 1 298.390 2.467 20 0 CEADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351473614 219099793 /nfs/dbraw/zinc/09/97/93/219099793.db2.gz DMSGNBPXZJLZQR-UNQGMJICSA-N 2 1 298.390 2.467 20 0 CEADMP C[C@H]1C[C@@H](NCCC[NH+]2CCCC[C@H]2C)C[N@H+]1C1CC1 ZINC000128554441 365795928 /nfs/dbraw/zinc/79/59/28/365795928.db2.gz OZJWDVAWEWQSPC-OWCLPIDISA-N 2 1 279.472 2.466 20 0 CEADMP CCCC[NH+]1CCC(Nc2cc[nH+]c(N(C)C)n2)CC1 ZINC000077191353 343909799 /nfs/dbraw/zinc/90/97/99/343909799.db2.gz GCIAMGCIHQRFMS-UHFFFAOYSA-N 2 1 277.416 2.219 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)N2CCCCC2)C1 ZINC000081516851 344055588 /nfs/dbraw/zinc/05/55/88/344055588.db2.gz BXRQCOQSNQGSFD-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)N2CCCCC2)C1 ZINC000081516851 344055589 /nfs/dbraw/zinc/05/55/89/344055589.db2.gz BXRQCOQSNQGSFD-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)N2CCCCC2)C1 ZINC000081516851 344055590 /nfs/dbraw/zinc/05/55/90/344055590.db2.gz BXRQCOQSNQGSFD-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccs1 ZINC000049530471 362371805 /nfs/dbraw/zinc/37/18/05/362371805.db2.gz WXRPNGMNTFZAOI-OLZOCXBDSA-N 2 1 268.426 2.246 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccccc1F ZINC000124509261 344314778 /nfs/dbraw/zinc/31/47/78/344314778.db2.gz IZNXBYXIGXUCHG-VXGBXAGGSA-N 2 1 252.333 2.016 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccccc1F ZINC000124509261 344314779 /nfs/dbraw/zinc/31/47/79/344314779.db2.gz IZNXBYXIGXUCHG-VXGBXAGGSA-N 2 1 252.333 2.016 20 0 CEADMP COc1cc2c(cc1C[N@H+](C)CC(C)(C)C[NH3+])O[C@@H](C)C2 ZINC000159095825 344453259 /nfs/dbraw/zinc/45/32/59/344453259.db2.gz RLJRPUXKLQFPMK-LBPRGKRZSA-N 2 1 292.423 2.435 20 0 CEADMP COc1cc2c(cc1C[N@@H+](C)CC(C)(C)C[NH3+])O[C@@H](C)C2 ZINC000159095825 344453263 /nfs/dbraw/zinc/45/32/63/344453263.db2.gz RLJRPUXKLQFPMK-LBPRGKRZSA-N 2 1 292.423 2.435 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(F)c1 ZINC000228591780 344561555 /nfs/dbraw/zinc/56/15/55/344561555.db2.gz ORQPITKRLVLVIS-NEPJUHHUSA-N 2 1 266.360 2.394 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(F)c1 ZINC000228591780 344561557 /nfs/dbraw/zinc/56/15/57/344561557.db2.gz ORQPITKRLVLVIS-NEPJUHHUSA-N 2 1 266.360 2.394 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000050247258 362412764 /nfs/dbraw/zinc/41/27/64/362412764.db2.gz CRXIWNUNBYJFIO-NSHDSACASA-N 2 1 299.212 2.109 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@H]1CCCC[C@@H]1O ZINC000328226341 344755198 /nfs/dbraw/zinc/75/51/98/344755198.db2.gz APPZCCXHKOILSE-SJORKVTESA-N 2 1 276.424 2.389 20 0 CEADMP C[NH+](C)Cc1cnc(CNC(C)(C)C[NH+]2CCCC2)s1 ZINC000449773145 282361956 /nfs/dbraw/zinc/36/19/56/282361956.db2.gz MMRNCLPBBLIAGJ-UHFFFAOYSA-N 2 1 296.484 2.169 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000584662679 344974999 /nfs/dbraw/zinc/97/49/99/344974999.db2.gz HJYWHJQJSDWVEG-BBRMVZONSA-N 2 1 284.407 2.492 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000584662679 344975000 /nfs/dbraw/zinc/97/50/00/344975000.db2.gz HJYWHJQJSDWVEG-BBRMVZONSA-N 2 1 284.407 2.492 20 0 CEADMP Cc1noc(C)c1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000155995897 282383093 /nfs/dbraw/zinc/38/30/93/282383093.db2.gz VZAGYQQXLCDOQQ-ZIBATOQPSA-N 2 1 265.401 2.152 20 0 CEADMP c1ccc2c(c1)n[nH]c2C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000589641815 345091374 /nfs/dbraw/zinc/09/13/74/345091374.db2.gz SCFZWAIDTKERAB-OLZOCXBDSA-N 2 1 270.380 2.279 20 0 CEADMP c1ccc2c(c1)n[nH]c2C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000589641815 345091376 /nfs/dbraw/zinc/09/13/76/345091376.db2.gz SCFZWAIDTKERAB-OLZOCXBDSA-N 2 1 270.380 2.279 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589644791 345091733 /nfs/dbraw/zinc/09/17/33/345091733.db2.gz TXIISGQPDWEUJX-ZDUSSCGKSA-N 2 1 272.396 2.384 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589644791 345091736 /nfs/dbraw/zinc/09/17/36/345091736.db2.gz TXIISGQPDWEUJX-ZDUSSCGKSA-N 2 1 272.396 2.384 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCC[NH+](C)C)C1 ZINC000591099003 345220531 /nfs/dbraw/zinc/22/05/31/345220531.db2.gz IBVOUQAWESDXDO-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)[C@@H]1SC ZINC000592395122 345349419 /nfs/dbraw/zinc/34/94/19/345349419.db2.gz PEMQOPZVFNKCKT-JARUQAPTSA-N 2 1 286.485 2.215 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492197 345360323 /nfs/dbraw/zinc/36/03/23/345360323.db2.gz VRRWAXXWBBQJDH-CABCVRRESA-N 2 1 282.428 2.040 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229367274 539466180 /nfs/dbraw/zinc/46/61/80/539466180.db2.gz BLKXXWYUBXDLAA-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP CCSC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000594986883 345721962 /nfs/dbraw/zinc/72/19/62/345721962.db2.gz LJRIGQQIWPYPFX-STQMWFEESA-N 2 1 254.443 2.489 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CSCCF ZINC000595020725 345728657 /nfs/dbraw/zinc/72/86/57/345728657.db2.gz ZPIQSCPOAAJHGL-NSHDSACASA-N 2 1 259.394 2.262 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CSCCF)C1 ZINC000595020679 345728802 /nfs/dbraw/zinc/72/88/02/345728802.db2.gz ZDUYHYGRYRZUDP-CHWSQXEVSA-N 2 1 262.438 2.399 20 0 CEADMP C[C@H](CSCCF)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000595052587 345735290 /nfs/dbraw/zinc/73/52/90/345735290.db2.gz SCCOVRHCZIDRRW-OLZOCXBDSA-N 2 1 262.438 2.399 20 0 CEADMP Cc1noc(C)c1CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000166005705 232264874 /nfs/dbraw/zinc/26/48/74/232264874.db2.gz QPPOGJCSDUYDRJ-OAHLLOKOSA-N 2 1 277.412 2.252 20 0 CEADMP Cc1noc(C)c1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000166005705 232264876 /nfs/dbraw/zinc/26/48/76/232264876.db2.gz QPPOGJCSDUYDRJ-OAHLLOKOSA-N 2 1 277.412 2.252 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595909214 345911358 /nfs/dbraw/zinc/91/13/58/345911358.db2.gz KRJYMJCCDZKOOF-ZIAGYGMSSA-N 2 1 270.417 2.168 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@@H+](CCC[NH3+])Cc2ccccc2)O1 ZINC000230004108 539501848 /nfs/dbraw/zinc/50/18/48/539501848.db2.gz YLCGXDKTKUTKME-ZBFHGGJFSA-N 2 1 262.397 2.405 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(CC(=O)OC)CC1 ZINC000599027314 346448821 /nfs/dbraw/zinc/44/88/21/346448821.db2.gz LMWKAWZNKPPJOM-NFOMZHRRSA-N 2 1 284.444 2.428 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(CC(=O)OC)CC1 ZINC000599027314 346448825 /nfs/dbraw/zinc/44/88/25/346448825.db2.gz LMWKAWZNKPPJOM-NFOMZHRRSA-N 2 1 284.444 2.428 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1(C(=O)OC)CCC1 ZINC000599071665 346455928 /nfs/dbraw/zinc/45/59/28/346455928.db2.gz SDUTUXPZWBVQAB-CABCVRRESA-N 2 1 296.455 2.430 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H](CO)c2ccccc2)CC1 ZINC000062999045 362739755 /nfs/dbraw/zinc/73/97/55/362739755.db2.gz CAOCXMGVMDDWMG-MRXNPFEDSA-N 2 1 262.397 2.184 20 0 CEADMP COC1(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000336795551 365817703 /nfs/dbraw/zinc/81/77/03/365817703.db2.gz LJCZMMWYJUTTON-UONOGXRCSA-N 2 1 252.402 2.162 20 0 CEADMP CC(C)OCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336799084 365826623 /nfs/dbraw/zinc/82/66/23/365826623.db2.gz HJPPGMADESTPOQ-INIZCTEOSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)OCCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336799084 365826624 /nfs/dbraw/zinc/82/66/24/365826624.db2.gz HJPPGMADESTPOQ-INIZCTEOSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)OCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336799084 365826626 /nfs/dbraw/zinc/82/66/26/365826626.db2.gz HJPPGMADESTPOQ-INIZCTEOSA-N 2 1 268.445 2.465 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@@H](C)CCC[C@H]1CO ZINC000336802066 365834358 /nfs/dbraw/zinc/83/43/58/365834358.db2.gz SLQKRDYVFOYLTD-ZFWWWQNUSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@@H](C)CCC[C@H]1CO ZINC000336802066 365834366 /nfs/dbraw/zinc/83/43/66/365834366.db2.gz SLQKRDYVFOYLTD-ZFWWWQNUSA-N 2 1 265.401 2.207 20 0 CEADMP C[C@H](O)CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000336804517 365837112 /nfs/dbraw/zinc/83/71/12/365837112.db2.gz DLTVJBJYFAVJQW-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP Cc1cccc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000019439554 136577390 /nfs/dbraw/zinc/57/73/90/136577390.db2.gz HJQSHZZNNUBJSY-MRXNPFEDSA-N 2 1 273.424 2.117 20 0 CEADMP C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)CC1CCOCC1 ZINC000336819078 365864270 /nfs/dbraw/zinc/86/42/70/365864270.db2.gz YDMQGTMMEKZFTO-HOTGVXAUSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000459489831 290162465 /nfs/dbraw/zinc/16/24/65/290162465.db2.gz VXZKOKIGZSQQRO-KGLIPLIRSA-N 2 1 266.429 2.408 20 0 CEADMP CCOC(=O)[C@@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110031 347288885 /nfs/dbraw/zinc/28/88/85/347288885.db2.gz KDKRTGZLJIKTNN-CQSZACIVSA-N 2 1 270.417 2.136 20 0 CEADMP CCOC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110031 347288886 /nfs/dbraw/zinc/28/88/86/347288886.db2.gz KDKRTGZLJIKTNN-CQSZACIVSA-N 2 1 270.417 2.136 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCCF)[C@@H](C)C1 ZINC000351823066 219216705 /nfs/dbraw/zinc/21/67/05/219216705.db2.gz KYZBSPIFFBOPJA-GJZGRUSLSA-N 2 1 274.424 2.463 20 0 CEADMP Cn1nccc1[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000336825398 365884783 /nfs/dbraw/zinc/88/47/83/365884783.db2.gz YKACZTIRWPHPPA-HUUCEWRRSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1nccc1[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000336825398 365884790 /nfs/dbraw/zinc/88/47/90/365884790.db2.gz YKACZTIRWPHPPA-HUUCEWRRSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1nccc1[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000336825398 365884794 /nfs/dbraw/zinc/88/47/94/365884794.db2.gz YKACZTIRWPHPPA-HUUCEWRRSA-N 2 1 276.428 2.084 20 0 CEADMP C[NH+](C)CCc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000606365071 347466882 /nfs/dbraw/zinc/46/68/82/347466882.db2.gz KUYCTEZUJVVLNL-MRXNPFEDSA-N 2 1 289.423 2.214 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129798527 365894829 /nfs/dbraw/zinc/89/48/29/365894829.db2.gz DKGLHNLLCRTLLC-UKRRQHHQSA-N 2 1 286.423 2.417 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351865649 219229997 /nfs/dbraw/zinc/22/99/97/219229997.db2.gz ODILZYIFAZCPLL-KGLIPLIRSA-N 2 1 278.396 2.133 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000351865648 219229795 /nfs/dbraw/zinc/22/97/95/219229795.db2.gz ODILZYIFAZCPLL-KBPBESRZSA-N 2 1 278.396 2.133 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)cn1 ZINC000334299624 539589297 /nfs/dbraw/zinc/58/92/97/539589297.db2.gz RIPYDMQUVNTSLR-SFHVURJKSA-N 2 1 296.418 2.448 20 0 CEADMP c1cnn(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)c1 ZINC000334413183 539591620 /nfs/dbraw/zinc/59/16/20/539591620.db2.gz LVBCNJXFBVELPT-SFHVURJKSA-N 2 1 296.418 2.448 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)CC[N@H+]1C ZINC000130361428 365948843 /nfs/dbraw/zinc/94/88/43/365948843.db2.gz AQSPMYAKBKOXGF-NVXWUHKLSA-N 2 1 298.434 2.487 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CCc2ccccc2)CC[N@H+]1C ZINC000273317312 192111296 /nfs/dbraw/zinc/11/12/96/192111296.db2.gz YHPWOYBCTVNAHU-DJIMGWMZSA-N 2 1 276.424 2.052 20 0 CEADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000614329037 348179653 /nfs/dbraw/zinc/17/96/53/348179653.db2.gz CSPMZQPDMSQFIU-KGLIPLIRSA-N 2 1 283.460 2.096 20 0 CEADMP CO[C@H]1CC[N@H+](CCCCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000339415027 215157938 /nfs/dbraw/zinc/15/79/38/215157938.db2.gz NQVKYGLGBSUIMN-RDJZCZTQSA-N 2 1 292.423 2.284 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000339415027 215157939 /nfs/dbraw/zinc/15/79/39/215157939.db2.gz NQVKYGLGBSUIMN-RDJZCZTQSA-N 2 1 292.423 2.284 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335327732 539627798 /nfs/dbraw/zinc/62/77/98/539627798.db2.gz ALGRZRYKDQUGAU-GOSISDBHSA-N 2 1 298.434 2.191 20 0 CEADMP Cc1cc(C)n(CCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623339414 349992334 /nfs/dbraw/zinc/99/23/34/349992334.db2.gz YUMFYSIJPFFUFL-HNNXBMFYSA-N 2 1 278.444 2.352 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cn3ccccc3n2)CC1(C)C ZINC000623352649 349995619 /nfs/dbraw/zinc/99/56/19/349995619.db2.gz JGWLBFDASSJJDI-AWEZNQCLSA-N 2 1 286.423 2.339 20 0 CEADMP C[NH+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000357199141 233020792 /nfs/dbraw/zinc/02/07/92/233020792.db2.gz PHKDRSFLBJHFEV-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2-n2cccn2)CC1(C)C ZINC000623354684 349996538 /nfs/dbraw/zinc/99/65/38/349996538.db2.gz ALLCPRAICRBQHB-HNNXBMFYSA-N 2 1 299.422 2.230 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2-n2cccn2)CC1(C)C ZINC000623354684 349996543 /nfs/dbraw/zinc/99/65/43/349996543.db2.gz ALLCPRAICRBQHB-HNNXBMFYSA-N 2 1 299.422 2.230 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000623356806 349997406 /nfs/dbraw/zinc/99/74/06/349997406.db2.gz IOKJOSRCYXJPSE-UHFFFAOYSA-N 2 1 275.396 2.226 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623357824 349997707 /nfs/dbraw/zinc/99/77/07/349997707.db2.gz BMHDISQODHUSHE-LSDHHAIUSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623357824 349997709 /nfs/dbraw/zinc/99/77/09/349997709.db2.gz BMHDISQODHUSHE-LSDHHAIUSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623357824 349997711 /nfs/dbraw/zinc/99/77/11/349997711.db2.gz BMHDISQODHUSHE-LSDHHAIUSA-N 2 1 267.461 2.323 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623356323 349997810 /nfs/dbraw/zinc/99/78/10/349997810.db2.gz JDODUGQPFIZLPV-GXTWGEPZSA-N 2 1 276.428 2.260 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623356323 349997812 /nfs/dbraw/zinc/99/78/12/349997812.db2.gz JDODUGQPFIZLPV-GXTWGEPZSA-N 2 1 276.428 2.260 20 0 CEADMP Cc1nccn1CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623363361 349999855 /nfs/dbraw/zinc/99/98/55/349999855.db2.gz PWRKQYFJXPJUBH-AWEZNQCLSA-N 2 1 264.417 2.044 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623363361 349999860 /nfs/dbraw/zinc/99/98/60/349999860.db2.gz PWRKQYFJXPJUBH-AWEZNQCLSA-N 3 1 264.417 2.044 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623363361 349999862 /nfs/dbraw/zinc/99/98/62/349999862.db2.gz PWRKQYFJXPJUBH-AWEZNQCLSA-N 3 1 264.417 2.044 20 0 CEADMP c1[nH]nc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c12 ZINC000623361159 349999014 /nfs/dbraw/zinc/99/90/14/349999014.db2.gz PJAHRPNECNOGJP-ZIAGYGMSSA-N 2 1 270.380 2.279 20 0 CEADMP C[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000623362826 349999033 /nfs/dbraw/zinc/99/90/33/349999033.db2.gz METXYSMHDIYRBP-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000623362826 349999036 /nfs/dbraw/zinc/99/90/36/349999036.db2.gz METXYSMHDIYRBP-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000623362826 349999039 /nfs/dbraw/zinc/99/90/39/349999039.db2.gz METXYSMHDIYRBP-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP c1[nH]nc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c12 ZINC000623361157 349999298 /nfs/dbraw/zinc/99/92/98/349999298.db2.gz PJAHRPNECNOGJP-KGLIPLIRSA-N 2 1 270.380 2.279 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000617009748 348610125 /nfs/dbraw/zinc/61/01/25/348610125.db2.gz FHAHZRTXCLBZNJ-CHWSQXEVSA-N 2 1 283.460 2.142 20 0 CEADMP C[C@H](C(=O)NC[C@H]1CC[NH+]1C(C)(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000617014391 348612775 /nfs/dbraw/zinc/61/27/75/348612775.db2.gz ISVGEHDJSWFMTA-LXTVHRRPSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000617014391 348612777 /nfs/dbraw/zinc/61/27/77/348612777.db2.gz ISVGEHDJSWFMTA-LXTVHRRPSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000617014391 348612779 /nfs/dbraw/zinc/61/27/79/348612779.db2.gz ISVGEHDJSWFMTA-LXTVHRRPSA-N 2 1 295.471 2.237 20 0 CEADMP CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@@H]1CC[N@@H+](CC)C1 ZINC000617925071 348825678 /nfs/dbraw/zinc/82/56/78/348825678.db2.gz DVUAAPDZOFQBCZ-UONOGXRCSA-N 2 1 283.460 2.096 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccncc2F)C1 ZINC000459779837 539705258 /nfs/dbraw/zinc/70/52/58/539705258.db2.gz LPQQDKQDEAVYKP-GFCCVEGCSA-N 2 1 251.349 2.042 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCCF)C1 ZINC000352015245 219290564 /nfs/dbraw/zinc/29/05/64/219290564.db2.gz PSIJOXKZDNGDFO-AWEZNQCLSA-N 2 1 260.397 2.169 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000618991089 349088756 /nfs/dbraw/zinc/08/87/56/349088756.db2.gz SCQHVBVNQNPFHW-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2c(c1)OCO2 ZINC000401869785 233186282 /nfs/dbraw/zinc/18/62/82/233186282.db2.gz KATJTXHKOFGWOO-NSHDSACASA-N 2 1 273.336 2.042 20 0 CEADMP CCC[N@H+]1CC[C@@H](CN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623373105 350002925 /nfs/dbraw/zinc/00/29/25/350002925.db2.gz RXZZYTHMNPJMNJ-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CC[C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623373105 350002929 /nfs/dbraw/zinc/00/29/29/350002929.db2.gz RXZZYTHMNPJMNJ-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CC[C@@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623373105 350002935 /nfs/dbraw/zinc/00/29/35/350002935.db2.gz RXZZYTHMNPJMNJ-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623373105 350002940 /nfs/dbraw/zinc/00/29/40/350002940.db2.gz RXZZYTHMNPJMNJ-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623373105 350002942 /nfs/dbraw/zinc/00/29/42/350002942.db2.gz RXZZYTHMNPJMNJ-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CC[C@@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623373105 350002947 /nfs/dbraw/zinc/00/29/47/350002947.db2.gz RXZZYTHMNPJMNJ-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623373105 350002949 /nfs/dbraw/zinc/00/29/49/350002949.db2.gz RXZZYTHMNPJMNJ-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP Cn1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C(F)F)n1 ZINC000459800351 290244526 /nfs/dbraw/zinc/24/45/26/290244526.db2.gz ZPWWQCSVLJSUMT-LLVKDONJSA-N 2 1 286.370 2.179 20 0 CEADMP c1nc2ccccn2c1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000620758028 349430734 /nfs/dbraw/zinc/43/07/34/349430734.db2.gz ULWYLMAZBJNRTE-UHFFFAOYSA-N 2 1 284.407 2.441 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2)CC1(C)C ZINC000623373981 350003712 /nfs/dbraw/zinc/00/37/12/350003712.db2.gz SHPRXSPLWJMNDZ-IRXDYDNUSA-N 2 1 290.451 2.300 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2O)CC1(C)C ZINC000623394860 350007630 /nfs/dbraw/zinc/00/76/30/350007630.db2.gz VMZMXFZODJQSNT-CQSZACIVSA-N 2 1 262.397 2.397 20 0 CEADMP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623431846 350019161 /nfs/dbraw/zinc/01/91/61/350019161.db2.gz UOXBBOIBLYETSS-DOMZBBRYSA-N 2 1 292.471 2.430 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000623655881 350075970 /nfs/dbraw/zinc/07/59/70/350075970.db2.gz HXMIXBLKGDJOMA-AWEZNQCLSA-N 2 1 272.396 2.384 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000623655881 350075973 /nfs/dbraw/zinc/07/59/73/350075973.db2.gz HXMIXBLKGDJOMA-AWEZNQCLSA-N 2 1 272.396 2.384 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000623655881 350075975 /nfs/dbraw/zinc/07/59/75/350075975.db2.gz HXMIXBLKGDJOMA-AWEZNQCLSA-N 2 1 272.396 2.384 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000623655948 350076166 /nfs/dbraw/zinc/07/61/66/350076166.db2.gz JHWBIPOATPHNGN-ZDUSSCGKSA-N 2 1 276.380 2.237 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000623655948 350076169 /nfs/dbraw/zinc/07/61/69/350076169.db2.gz JHWBIPOATPHNGN-ZDUSSCGKSA-N 2 1 276.380 2.237 20 0 CEADMP Cn1cnc2cc(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)ccc21 ZINC000623657575 350077421 /nfs/dbraw/zinc/07/74/21/350077421.db2.gz UTZBWZSXNMRPKA-HNNXBMFYSA-N 2 1 286.423 2.395 20 0 CEADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623543561 350045701 /nfs/dbraw/zinc/04/57/01/350045701.db2.gz ZGEYMIHHVFSOJB-BFHYXJOUSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H](COCC1CC1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623559944 350050655 /nfs/dbraw/zinc/05/06/55/350050655.db2.gz PUUGBPDQNSUXLV-GXTWGEPZSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC1(C)C ZINC000623561225 350051118 /nfs/dbraw/zinc/05/11/18/350051118.db2.gz GBXMSMFYAIDHPM-XHSDSOJGSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1(C)C ZINC000623561225 350051120 /nfs/dbraw/zinc/05/11/20/350051120.db2.gz GBXMSMFYAIDHPM-XHSDSOJGSA-N 3 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1(C)C ZINC000623561225 350051123 /nfs/dbraw/zinc/05/11/23/350051123.db2.gz GBXMSMFYAIDHPM-XHSDSOJGSA-N 3 1 279.472 2.466 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1(C)C ZINC000623561225 350051126 /nfs/dbraw/zinc/05/11/26/350051126.db2.gz GBXMSMFYAIDHPM-XHSDSOJGSA-N 3 1 279.472 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1(C)C ZINC000623561225 350051128 /nfs/dbraw/zinc/05/11/28/350051128.db2.gz GBXMSMFYAIDHPM-XHSDSOJGSA-N 3 1 279.472 2.466 20 0 CEADMP CN(C)c1c(F)c(F)ccc1C[NH2+]CCc1c[nH+]cn1C ZINC000623576201 350056072 /nfs/dbraw/zinc/05/60/72/350056072.db2.gz KPEZRILUWPMPAR-UHFFFAOYSA-N 2 1 294.349 2.097 20 0 CEADMP CCC[N@H+]1CC[C@H](CNC2CC[NH+](CCC)CC2)C1 ZINC000151094309 539751795 /nfs/dbraw/zinc/75/17/95/539751795.db2.gz LRFUPVRKBHXCBN-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](CCC)CC2)C1 ZINC000151094309 539751802 /nfs/dbraw/zinc/75/18/02/539751802.db2.gz LRFUPVRKBHXCBN-OAHLLOKOSA-N 3 1 267.461 2.182 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](CCC)CC2)C1 ZINC000151094309 539751808 /nfs/dbraw/zinc/75/18/08/539751808.db2.gz LRFUPVRKBHXCBN-OAHLLOKOSA-N 3 1 267.461 2.182 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000090962137 180076244 /nfs/dbraw/zinc/07/62/44/180076244.db2.gz SVODXMVNTIMIAC-CQSZACIVSA-N 2 1 287.407 2.219 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CCCCO2)C1 ZINC000623879666 350133106 /nfs/dbraw/zinc/13/31/06/350133106.db2.gz MCPLYZNKRPHTIA-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CCC[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)OCC ZINC000624051190 350179920 /nfs/dbraw/zinc/17/99/20/350179920.db2.gz VGJCNFSKJVLWKH-IRXDYDNUSA-N 2 1 298.471 2.425 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000091661061 180218388 /nfs/dbraw/zinc/21/83/88/180218388.db2.gz KPQULXGEEHZGFK-UKRRQHHQSA-N 2 1 259.397 2.390 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000091661061 180218391 /nfs/dbraw/zinc/21/83/91/180218391.db2.gz KPQULXGEEHZGFK-UKRRQHHQSA-N 2 1 259.397 2.390 20 0 CEADMP CCOC(=O)CCCCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091847949 180271362 /nfs/dbraw/zinc/27/13/62/180271362.db2.gz MPLOGRHZDXKAQZ-UHFFFAOYSA-N 2 1 270.417 2.312 20 0 CEADMP Cc1nocc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000568910901 299166883 /nfs/dbraw/zinc/16/68/83/299166883.db2.gz VWGWUHXQVOYOAX-CQSZACIVSA-N 2 1 259.309 2.031 20 0 CEADMP C[N@@H+](Cc1c[nH]nc1-c1cccnc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253847 180352718 /nfs/dbraw/zinc/35/27/18/180352718.db2.gz NYIMIJQYQZWROB-AWEZNQCLSA-N 2 1 299.422 2.245 20 0 CEADMP C[N@H+](Cc1c[nH]nc1-c1cccnc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253847 180352719 /nfs/dbraw/zinc/35/27/19/180352719.db2.gz NYIMIJQYQZWROB-AWEZNQCLSA-N 2 1 299.422 2.245 20 0 CEADMP C[NH+](Cc1c[nH]nc1-c1cccnc1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253847 180352721 /nfs/dbraw/zinc/35/27/21/180352721.db2.gz NYIMIJQYQZWROB-AWEZNQCLSA-N 2 1 299.422 2.245 20 0 CEADMP C[NH+](Cc1c[nH]nc1-c1cccnc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253847 180352722 /nfs/dbraw/zinc/35/27/22/180352722.db2.gz NYIMIJQYQZWROB-AWEZNQCLSA-N 2 1 299.422 2.245 20 0 CEADMP CCO[C@@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)C1CC1 ZINC000625371380 350482760 /nfs/dbraw/zinc/48/27/60/350482760.db2.gz NCRLMCGZKMBUPX-GJZGRUSLSA-N 2 1 254.418 2.218 20 0 CEADMP FC(F)(F)Oc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107577575 186179145 /nfs/dbraw/zinc/17/91/45/186179145.db2.gz PZCRDDROLGASHP-TXEJJXNPSA-N 2 1 286.297 2.236 20 0 CEADMP FC(F)(F)Oc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107577575 186179147 /nfs/dbraw/zinc/17/91/47/186179147.db2.gz PZCRDDROLGASHP-TXEJJXNPSA-N 2 1 286.297 2.236 20 0 CEADMP Fc1cc2cccnc2c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107580226 186181226 /nfs/dbraw/zinc/18/12/26/186181226.db2.gz UNKZPFLMQGTIOR-OKILXGFUSA-N 2 1 271.339 2.025 20 0 CEADMP Fc1cc2cccnc2c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107580226 186181227 /nfs/dbraw/zinc/18/12/27/186181227.db2.gz UNKZPFLMQGTIOR-OKILXGFUSA-N 2 1 271.339 2.025 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000108370221 186213969 /nfs/dbraw/zinc/21/39/69/186213969.db2.gz MOUKESLDKMIKIA-KRWDZBQOSA-N 2 1 276.424 2.052 20 0 CEADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C(C)(C)C)n1 ZINC000130637443 365975141 /nfs/dbraw/zinc/97/51/41/365975141.db2.gz ABUBOTNOLOJLMO-CFVMTHIKSA-N 2 1 290.455 2.277 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000625836346 350582645 /nfs/dbraw/zinc/58/26/45/350582645.db2.gz CYHADLSGQSUFKG-MRXNPFEDSA-N 2 1 279.428 2.274 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc3n[nH]cc32)CC1 ZINC000628252177 351028120 /nfs/dbraw/zinc/02/81/20/351028120.db2.gz KJGPIBODGORKTJ-CQSZACIVSA-N 2 1 272.396 2.479 20 0 CEADMP CC(C)CO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629546842 351406904 /nfs/dbraw/zinc/40/69/04/351406904.db2.gz XYTAGAARNMRDIR-DGAVXFQQSA-N 2 1 254.418 2.166 20 0 CEADMP COc1ccncc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000629533960 351397574 /nfs/dbraw/zinc/39/75/74/351397574.db2.gz FOZVUHKDGHUMTM-ZFWWWQNUSA-N 2 1 275.396 2.054 20 0 CEADMP COc1ccncc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000629533960 351397576 /nfs/dbraw/zinc/39/75/76/351397576.db2.gz FOZVUHKDGHUMTM-ZFWWWQNUSA-N 2 1 275.396 2.054 20 0 CEADMP Cc1cnccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000629540513 351401842 /nfs/dbraw/zinc/40/18/42/351401842.db2.gz VEBHYASHXUZYJS-YESZJQIVSA-N 2 1 289.423 2.108 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+])C1CC1 ZINC000629541555 351402630 /nfs/dbraw/zinc/40/26/30/351402630.db2.gz XMFVTGUYKUBIKF-NWANDNLSSA-N 2 1 254.418 2.251 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000629387935 351345922 /nfs/dbraw/zinc/34/59/22/351345922.db2.gz KFIXDVRHSYMBPG-XOYOTBSWSA-N 2 1 287.451 2.380 20 0 CEADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629408293 351354757 /nfs/dbraw/zinc/35/47/57/351354757.db2.gz SMCSPNTZVZIJLS-NWANDNLSSA-N 2 1 292.423 2.365 20 0 CEADMP Fc1ccc2c(c1)OCC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000629595708 351426443 /nfs/dbraw/zinc/42/64/43/351426443.db2.gz VIKPIKCHQHPFTI-ZDUSSCGKSA-N 2 1 278.371 2.410 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000629649075 351447289 /nfs/dbraw/zinc/44/72/89/351447289.db2.gz HBBNZXXCFBNNEF-INIZCTEOSA-N 2 1 272.392 2.440 20 0 CEADMP Cn1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000629650136 351448620 /nfs/dbraw/zinc/44/86/20/351448620.db2.gz OZMOLSVJHLMFLI-MRXNPFEDSA-N 2 1 261.413 2.237 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)C[C@H](C)Cc1ccccc1 ZINC000629653251 351451431 /nfs/dbraw/zinc/45/14/31/351451431.db2.gz JCQCBMBJKLDUKP-OAHLLOKOSA-N 2 1 264.413 2.033 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000629654440 351451916 /nfs/dbraw/zinc/45/19/16/351451916.db2.gz QZQXIZFNSKUSMD-UHFFFAOYSA-N 2 1 297.468 2.469 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000629654440 351451919 /nfs/dbraw/zinc/45/19/19/351451919.db2.gz QZQXIZFNSKUSMD-UHFFFAOYSA-N 2 1 297.468 2.469 20 0 CEADMP Cn1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000629655931 351452666 /nfs/dbraw/zinc/45/26/66/351452666.db2.gz YICYVNZKZOCHIC-HOTGVXAUSA-N 2 1 261.413 2.237 20 0 CEADMP C[N@H+](CCOCC[NH3+])Cc1nc(-c2ccccc2)cs1 ZINC000629664692 351457227 /nfs/dbraw/zinc/45/72/27/351457227.db2.gz PWMICCFGXATNRW-UHFFFAOYSA-N 2 1 291.420 2.217 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1nc(-c2ccccc2)cs1 ZINC000629664692 351457232 /nfs/dbraw/zinc/45/72/32/351457232.db2.gz PWMICCFGXATNRW-UHFFFAOYSA-N 2 1 291.420 2.217 20 0 CEADMP Cc1ccc(C[N@@H+](C)CCOCC[NH3+])cc1Cl ZINC000629667330 351458493 /nfs/dbraw/zinc/45/84/93/351458493.db2.gz WZNDFNQZWRNOLJ-UHFFFAOYSA-N 2 1 256.777 2.056 20 0 CEADMP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629550324 351409722 /nfs/dbraw/zinc/40/97/22/351409722.db2.gz LQQZNJNJNCWMCD-RYUDHWBXSA-N 2 1 294.361 2.466 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000629569373 351417262 /nfs/dbraw/zinc/41/72/62/351417262.db2.gz ZVNACTNHGKLEFE-UHFFFAOYSA-N 2 1 289.379 2.009 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000629569373 351417264 /nfs/dbraw/zinc/41/72/64/351417264.db2.gz ZVNACTNHGKLEFE-UHFFFAOYSA-N 2 1 289.379 2.009 20 0 CEADMP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc(OC)c1 ZINC000070148810 363037339 /nfs/dbraw/zinc/03/73/39/363037339.db2.gz TXPVBMXKTBEJSN-AWEZNQCLSA-N 2 1 278.396 2.407 20 0 CEADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1 ZINC000070149983 363037984 /nfs/dbraw/zinc/03/79/84/363037984.db2.gz ZETQWTABJLSBDO-GOEBONIOSA-N 2 1 289.423 2.067 20 0 CEADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1 ZINC000070149983 363037987 /nfs/dbraw/zinc/03/79/87/363037987.db2.gz ZETQWTABJLSBDO-GOEBONIOSA-N 2 1 289.423 2.067 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc(OC)c1 ZINC000070169345 363042352 /nfs/dbraw/zinc/04/23/52/363042352.db2.gz HVLKBIJKHZVRSZ-ZDUSSCGKSA-N 2 1 278.396 2.265 20 0 CEADMP COc1ccc(OCC[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070170861 363043983 /nfs/dbraw/zinc/04/39/83/363043983.db2.gz VXPCDTHTCRJFIP-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174162 363047057 /nfs/dbraw/zinc/04/70/57/363047057.db2.gz LXMABKKFWWJKOD-HIFRSBDPSA-N 2 1 290.407 2.327 20 0 CEADMP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174162 363047061 /nfs/dbraw/zinc/04/70/61/363047061.db2.gz LXMABKKFWWJKOD-HIFRSBDPSA-N 2 1 290.407 2.327 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000070173993 363047595 /nfs/dbraw/zinc/04/75/95/363047595.db2.gz NMEKIFSRDDBBPG-GDBMZVCRSA-N 2 1 284.407 2.432 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000070356250 363074141 /nfs/dbraw/zinc/07/41/41/363074141.db2.gz LTXIDLQFLPQOCR-UKRRQHHQSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc2ccccc2n1 ZINC000131483569 366058465 /nfs/dbraw/zinc/05/84/65/366058465.db2.gz JRYKECMKOSRQEC-OLZOCXBDSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1OC(F)F ZINC000131573153 366067455 /nfs/dbraw/zinc/06/74/55/366067455.db2.gz IUNJUQKBWLROPP-MNOVXSKESA-N 2 1 270.323 2.457 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1OC(F)F ZINC000131573153 366067457 /nfs/dbraw/zinc/06/74/57/366067457.db2.gz IUNJUQKBWLROPP-MNOVXSKESA-N 2 1 270.323 2.457 20 0 CEADMP COc1cccc2c(N3C[C@@H]([NH3+])C[C@H]3C)cc(C)[nH+]c12 ZINC000630559680 351786100 /nfs/dbraw/zinc/78/61/00/351786100.db2.gz XZRNHYHFOPWFCV-NEPJUHHUSA-N 2 1 271.364 2.478 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccccc1Cl ZINC000131703449 366079684 /nfs/dbraw/zinc/07/96/84/366079684.db2.gz MFFFNOQQPPFRHM-RYUDHWBXSA-N 2 1 268.788 2.388 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccccc1Cl ZINC000131703449 366079688 /nfs/dbraw/zinc/07/96/88/366079688.db2.gz MFFFNOQQPPFRHM-RYUDHWBXSA-N 2 1 268.788 2.388 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2)CC[N@@H+]1C ZINC000123201513 187077290 /nfs/dbraw/zinc/07/72/90/187077290.db2.gz GWHIMIKKYBEIMK-GDBMZVCRSA-N 2 1 289.423 2.430 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2)CC[N@H+]1C ZINC000123201513 187077291 /nfs/dbraw/zinc/07/72/91/187077291.db2.gz GWHIMIKKYBEIMK-GDBMZVCRSA-N 2 1 289.423 2.430 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2)CC[NH+]1C ZINC000123201513 187077292 /nfs/dbraw/zinc/07/72/92/187077292.db2.gz GWHIMIKKYBEIMK-GDBMZVCRSA-N 2 1 289.423 2.430 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2)CC[NH+]1C ZINC000123201513 187077293 /nfs/dbraw/zinc/07/72/93/187077293.db2.gz GWHIMIKKYBEIMK-GDBMZVCRSA-N 2 1 289.423 2.430 20 0 CEADMP COc1ccc(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123813228 187109416 /nfs/dbraw/zinc/10/94/16/187109416.db2.gz QENZBWDPFQIYJN-CABCVRRESA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123813228 187109417 /nfs/dbraw/zinc/10/94/17/187109417.db2.gz QENZBWDPFQIYJN-CABCVRRESA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123813228 187109418 /nfs/dbraw/zinc/10/94/18/187109418.db2.gz QENZBWDPFQIYJN-CABCVRRESA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123813228 187109419 /nfs/dbraw/zinc/10/94/19/187109419.db2.gz QENZBWDPFQIYJN-CABCVRRESA-N 2 1 292.423 2.489 20 0 CEADMP Cc1cc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)on1 ZINC000631044200 351935524 /nfs/dbraw/zinc/93/55/24/351935524.db2.gz GJEKHYNPXSYPOG-UHFFFAOYSA-N 2 1 289.379 2.213 20 0 CEADMP C[C@@H](C[NH2+]Cc1c2c(nn1C)CCCC2)C[NH+]1CCCC1 ZINC000631043805 351935795 /nfs/dbraw/zinc/93/57/95/351935795.db2.gz ATCJVUALDMAIHI-AWEZNQCLSA-N 2 1 290.455 2.120 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn[nH]c1 ZINC000631195310 352010488 /nfs/dbraw/zinc/01/04/88/352010488.db2.gz VTRALRXWUGSQNR-RHSMWYFYSA-N 2 1 284.407 2.267 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC000631195353 352010627 /nfs/dbraw/zinc/01/06/27/352010627.db2.gz FRWDTYWDPPCTKG-DOTOQJQBSA-N 2 1 298.434 2.278 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC000631195353 352010631 /nfs/dbraw/zinc/01/06/31/352010631.db2.gz FRWDTYWDPPCTKG-DOTOQJQBSA-N 2 1 298.434 2.278 20 0 CEADMP C[C@@H](CO)[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000131725343 366083143 /nfs/dbraw/zinc/08/31/43/366083143.db2.gz IRPKBHXDGAGGQH-HOTGVXAUSA-N 2 1 290.451 2.300 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3O)CC[N@@H+]1C ZINC000252148298 539840984 /nfs/dbraw/zinc/84/09/84/539840984.db2.gz OGLVRSYMRSQFKD-XUJVJEKNSA-N 2 1 260.381 2.452 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3O)CC[N@H+]1C ZINC000252148298 539840987 /nfs/dbraw/zinc/84/09/87/539840987.db2.gz OGLVRSYMRSQFKD-XUJVJEKNSA-N 2 1 260.381 2.452 20 0 CEADMP COCC(C)(C)C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000494137869 290958282 /nfs/dbraw/zinc/95/82/82/290958282.db2.gz UYGOEIAHVBMMJW-UHFFFAOYSA-N 2 1 286.460 2.138 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430928323 539933394 /nfs/dbraw/zinc/93/33/94/539933394.db2.gz SWQQCEQPXVUKRQ-SWLSCSKDSA-N 2 1 280.437 2.456 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(CCOc2cccc(OC)c2)C1 ZINC000155044144 188178235 /nfs/dbraw/zinc/17/82/35/188178235.db2.gz XCWOZILXXQKSCR-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(OC)c2)C1 ZINC000155044144 188178237 /nfs/dbraw/zinc/17/82/37/188178237.db2.gz XCWOZILXXQKSCR-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(OC)c2)C1 ZINC000155044144 188178238 /nfs/dbraw/zinc/17/82/38/188178238.db2.gz XCWOZILXXQKSCR-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc(OC)c2)C1 ZINC000155044144 188178240 /nfs/dbraw/zinc/17/82/40/188178240.db2.gz XCWOZILXXQKSCR-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc(OC)c2)C1 ZINC000155044144 188178241 /nfs/dbraw/zinc/17/82/41/188178241.db2.gz XCWOZILXXQKSCR-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000155457692 188207066 /nfs/dbraw/zinc/20/70/66/188207066.db2.gz LMEFTTRQSABJRR-IGCXYCKISA-N 2 1 289.423 2.463 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000155457692 188207068 /nfs/dbraw/zinc/20/70/68/188207068.db2.gz LMEFTTRQSABJRR-IGCXYCKISA-N 2 1 289.423 2.463 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cc(OC)cc(OC)c2)CC[C@H]1[NH3+] ZINC000251794392 539991243 /nfs/dbraw/zinc/99/12/43/539991243.db2.gz NTJBVMVZPMZQHP-CZUORRHYSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)CC[C@H]1[NH3+] ZINC000251794392 539991245 /nfs/dbraw/zinc/99/12/45/539991245.db2.gz NTJBVMVZPMZQHP-CZUORRHYSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)CC[N@H+]1C ZINC000156337834 188257058 /nfs/dbraw/zinc/25/70/58/188257058.db2.gz KCZANOJMNUUHKL-BBRMVZONSA-N 2 1 274.408 2.236 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccncc1 ZINC000156673469 188276030 /nfs/dbraw/zinc/27/60/30/188276030.db2.gz JBLDCXWIBBZUSZ-HUUCEWRRSA-N 2 1 289.423 2.233 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000494893349 291003413 /nfs/dbraw/zinc/00/34/13/291003413.db2.gz WFSIHOCRRQUOJR-LSDHHAIUSA-N 2 1 295.471 2.288 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494889227 291003502 /nfs/dbraw/zinc/00/35/02/291003502.db2.gz KGBHMIMFVWNKNV-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@H+](Cc1cccc2nccn21)CC1CC[NH+](C)CC1 ZINC000271709193 191285620 /nfs/dbraw/zinc/28/56/20/191285620.db2.gz GFNXDIJTJJTAFD-UHFFFAOYSA-N 2 1 272.396 2.108 20 0 CEADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000414999930 282949570 /nfs/dbraw/zinc/94/95/70/282949570.db2.gz KWHIPJOZKSXLTL-JHJVBQTASA-N 2 1 258.356 2.400 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000337390033 366145490 /nfs/dbraw/zinc/14/54/90/366145490.db2.gz KHYJJXJGMYFNRL-YHUYYLMFSA-N 2 1 266.429 2.408 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000337390033 366145494 /nfs/dbraw/zinc/14/54/94/366145494.db2.gz KHYJJXJGMYFNRL-YHUYYLMFSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000495240346 291027126 /nfs/dbraw/zinc/02/71/26/291027126.db2.gz MNHACNWXJDAPDS-GDBMZVCRSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000495240346 291027130 /nfs/dbraw/zinc/02/71/30/291027130.db2.gz MNHACNWXJDAPDS-GDBMZVCRSA-N 2 1 279.428 2.455 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337992752 366189144 /nfs/dbraw/zinc/18/91/44/366189144.db2.gz ZGHGJIFCXBIULI-SJORKVTESA-N 2 1 279.472 2.182 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000451600650 283047129 /nfs/dbraw/zinc/04/71/29/283047129.db2.gz RYWJRDZBOZZDJM-CABCVRRESA-N 2 1 293.411 2.293 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451615244 283051639 /nfs/dbraw/zinc/05/16/39/283051639.db2.gz TWKZLRGGMDVQHY-SJORKVTESA-N 2 1 291.439 2.358 20 0 CEADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCN2CCC2)C3)cc1 ZINC000569914336 299225308 /nfs/dbraw/zinc/22/53/08/299225308.db2.gz DNNOSRILZQSQPZ-LDLYASANSA-N 2 1 299.462 2.477 20 0 CEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000401715668 540130390 /nfs/dbraw/zinc/13/03/90/540130390.db2.gz KWFZVCDJGXWEFT-LBPRGKRZSA-N 2 1 261.344 2.323 20 0 CEADMP COc1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1OC ZINC000271848762 191365720 /nfs/dbraw/zinc/36/57/20/191365720.db2.gz HELFTRIKCJAREC-UHFFFAOYSA-N 2 1 276.380 2.055 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000381165977 540138711 /nfs/dbraw/zinc/13/87/11/540138711.db2.gz UIKXTDLZFNZRQE-CBBWQLFWSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000381165977 540138716 /nfs/dbraw/zinc/13/87/16/540138716.db2.gz UIKXTDLZFNZRQE-CBBWQLFWSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000381165977 540138720 /nfs/dbraw/zinc/13/87/20/540138720.db2.gz UIKXTDLZFNZRQE-CBBWQLFWSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000381165971 540138809 /nfs/dbraw/zinc/13/88/09/540138809.db2.gz UIKXTDLZFNZRQE-BARDWOONSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000381165971 540138810 /nfs/dbraw/zinc/13/88/10/540138810.db2.gz UIKXTDLZFNZRQE-BARDWOONSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000381165971 540138813 /nfs/dbraw/zinc/13/88/13/540138813.db2.gz UIKXTDLZFNZRQE-BARDWOONSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)C1CCC(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000569961748 299230035 /nfs/dbraw/zinc/23/00/35/299230035.db2.gz HNGVAITWXLSEBZ-VMBOVVBDSA-N 2 1 282.472 2.494 20 0 CEADMP CC(C)C1CCC(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000569961748 299230037 /nfs/dbraw/zinc/23/00/37/299230037.db2.gz HNGVAITWXLSEBZ-VMBOVVBDSA-N 2 1 282.472 2.494 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000162066133 540147147 /nfs/dbraw/zinc/14/71/47/540147147.db2.gz ZSBLTLZUBATBRR-KGLIPLIRSA-N 2 1 260.381 2.094 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000682916710 540167468 /nfs/dbraw/zinc/16/74/68/540167468.db2.gz RCRLYPBAWBLFRG-LBPRGKRZSA-N 2 1 264.417 2.491 20 0 CEADMP Cc1ccnc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000683013325 540172212 /nfs/dbraw/zinc/17/22/12/540172212.db2.gz GWLWBRHIBJOFCP-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccnc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000683013325 540172215 /nfs/dbraw/zinc/17/22/15/540172215.db2.gz GWLWBRHIBJOFCP-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccnc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000683013325 540172218 /nfs/dbraw/zinc/17/22/18/540172218.db2.gz GWLWBRHIBJOFCP-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccnc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000683013325 540172220 /nfs/dbraw/zinc/17/22/20/540172220.db2.gz GWLWBRHIBJOFCP-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451813117 283113658 /nfs/dbraw/zinc/11/36/58/283113658.db2.gz RWKGVEIBZXUCDE-AWEZNQCLSA-N 2 1 256.434 2.201 20 0 CEADMP C(C[NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C[NH+]1CCC1 ZINC000569988090 299232703 /nfs/dbraw/zinc/23/27/03/299232703.db2.gz JLJOCNWQBUXZHS-OAGGEKHMSA-N 2 1 266.429 2.267 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353436046 283133177 /nfs/dbraw/zinc/13/31/77/283133177.db2.gz AUOUSYNWYILYTN-ULQDDVLXSA-N 2 1 277.456 2.076 20 0 CEADMP C[N@H+]1CC[C@H](NCC[NH+]2CCCCCC2)[C@H]2CCC[C@@H]21 ZINC000367611193 283136458 /nfs/dbraw/zinc/13/64/58/283136458.db2.gz ATVFEFWPOLXRIN-IKGGRYGDSA-N 2 1 279.472 2.325 20 0 CEADMP CCO[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000452033112 283165609 /nfs/dbraw/zinc/16/56/09/283165609.db2.gz FXQAIIYYCYKBSQ-RBSFLKMASA-N 2 1 254.418 2.408 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H]3CCCOC3)C2)[nH+]1 ZINC000674301559 540237311 /nfs/dbraw/zinc/23/73/11/540237311.db2.gz STNHDZNGRFMKAL-GJZGRUSLSA-N 2 1 275.396 2.303 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H]3CCCOC3)C2)[nH+]1 ZINC000674301559 540237313 /nfs/dbraw/zinc/23/73/13/540237313.db2.gz STNHDZNGRFMKAL-GJZGRUSLSA-N 2 1 275.396 2.303 20 0 CEADMP C[N@H+](CCC[NH+]1CCCCC1)CCNC(=O)OC(C)(C)C ZINC000495985189 291097728 /nfs/dbraw/zinc/09/77/28/291097728.db2.gz WMIXNHHCJICDMB-UHFFFAOYSA-N 2 1 299.459 2.319 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)CCNC(=O)OC(C)(C)C ZINC000495985189 291097730 /nfs/dbraw/zinc/09/77/30/291097730.db2.gz WMIXNHHCJICDMB-UHFFFAOYSA-N 2 1 299.459 2.319 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1ccccc1OC(F)(F)F ZINC000133747670 366252799 /nfs/dbraw/zinc/25/27/99/366252799.db2.gz UGBQYPZFOUAZQF-UHFFFAOYSA-N 2 1 262.275 2.366 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1ccccc1OC(F)(F)F ZINC000133747670 366252803 /nfs/dbraw/zinc/25/28/03/366252803.db2.gz UGBQYPZFOUAZQF-UHFFFAOYSA-N 2 1 262.275 2.366 20 0 CEADMP [NH3+]CCC[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000414759505 540245692 /nfs/dbraw/zinc/24/56/92/540245692.db2.gz OMEVSONXOQHMGM-UHFFFAOYSA-N 2 1 292.423 2.285 20 0 CEADMP C[N@@H+](CCC[NH3+])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000414762396 540245797 /nfs/dbraw/zinc/24/57/97/540245797.db2.gz VYZQHSNIBKFXJX-GJZGRUSLSA-N 2 1 266.360 2.326 20 0 CEADMP [NH3+]CCC[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000414752186 540245828 /nfs/dbraw/zinc/24/58/28/540245828.db2.gz KIBNFUBABBVLSM-NSHDSACASA-N 2 1 277.343 2.495 20 0 CEADMP COc1cccc(Oc2ncccc2C[NH2+]CCC[NH3+])c1 ZINC000415086059 540249741 /nfs/dbraw/zinc/24/97/41/540249741.db2.gz REKWEUYUTXMHHY-UHFFFAOYSA-N 2 1 287.363 2.321 20 0 CEADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CCC[NH3+] ZINC000415118817 540250489 /nfs/dbraw/zinc/25/04/89/540250489.db2.gz JXDFIHGIFIFGJZ-HNNXBMFYSA-N 3 1 275.440 2.499 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2scnc2C2CC2)C[C@H]1C[NH3+] ZINC000415130343 540250650 /nfs/dbraw/zinc/25/06/50/540250650.db2.gz QOJMSMGHFYVRFE-CMPLNLGQSA-N 2 1 265.426 2.437 20 0 CEADMP COc1ccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)nc1 ZINC000338318811 366293110 /nfs/dbraw/zinc/29/31/10/366293110.db2.gz RYUMSTQZSYBSNV-OAHLLOKOSA-N 2 1 289.423 2.254 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496132639 291110618 /nfs/dbraw/zinc/11/06/18/291110618.db2.gz FXZLFTZJHAZPHD-WCQYABFASA-N 2 1 277.368 2.031 20 0 CEADMP C[N@@H+](CCCNC(=O)CC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000134526855 366333635 /nfs/dbraw/zinc/33/36/35/366333635.db2.gz BEXMENGVLFKGCS-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP C([C@@H]1CCCO1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134887542 366368846 /nfs/dbraw/zinc/36/88/46/366368846.db2.gz OHLLFVPWJUWFEV-KBMXLJTQSA-N 2 1 264.413 2.114 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134887542 366368848 /nfs/dbraw/zinc/36/88/48/366368848.db2.gz OHLLFVPWJUWFEV-KBMXLJTQSA-N 2 1 264.413 2.114 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134887542 366368853 /nfs/dbraw/zinc/36/88/53/366368853.db2.gz OHLLFVPWJUWFEV-KBMXLJTQSA-N 2 1 264.413 2.114 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000575755341 366357477 /nfs/dbraw/zinc/35/74/77/366357477.db2.gz KWALHMOWDUNNIP-KLHDSHLOSA-N 2 1 266.429 2.002 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CSC1(C)C ZINC000338477209 366374692 /nfs/dbraw/zinc/37/46/92/366374692.db2.gz JWLORHFKWNQEGQ-LBPRGKRZSA-N 2 1 251.399 2.131 20 0 CEADMP c1cn(-c2csc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)cn1 ZINC000336327964 213173699 /nfs/dbraw/zinc/17/36/99/213173699.db2.gz QZFHPOMQGCDELT-SWLSCSKDSA-N 2 1 288.420 2.118 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000309893948 538744622 /nfs/dbraw/zinc/74/46/22/538744622.db2.gz NIHBYLXSVIHOCD-QGZVFWFLSA-N 2 1 298.434 2.340 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000309893948 538744641 /nfs/dbraw/zinc/74/46/41/538744641.db2.gz NIHBYLXSVIHOCD-QGZVFWFLSA-N 2 1 298.434 2.340 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC[N@@H+]1C ZINC000155926982 297286254 /nfs/dbraw/zinc/28/62/54/297286254.db2.gz GHLOKCRZMXGSRB-QXSJWSMHSA-N 2 1 276.428 2.439 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC[N@H+]1C ZINC000155926982 297286258 /nfs/dbraw/zinc/28/62/58/297286258.db2.gz GHLOKCRZMXGSRB-QXSJWSMHSA-N 2 1 276.428 2.439 20 0 CEADMP CCOc1c(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(C)nn1CC(C)C ZINC000570332404 299254324 /nfs/dbraw/zinc/25/43/24/299254324.db2.gz POSSRTMFHMFWCE-QWHCGFSZSA-N 2 1 296.459 2.462 20 0 CEADMP CCc1cc(NCC2(C)CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000227867457 538768166 /nfs/dbraw/zinc/76/81/66/538768166.db2.gz GUDFYKKONAUGPQ-UHFFFAOYSA-N 2 1 262.401 2.491 20 0 CEADMP CCCN(CC[NH+]1CCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000342191383 283239989 /nfs/dbraw/zinc/23/99/89/283239989.db2.gz DVFFNUYQFAQFLL-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000570408157 299257757 /nfs/dbraw/zinc/25/77/57/299257757.db2.gz XNCGKZKOAQDRGB-MRXNPFEDSA-N 2 1 277.412 2.245 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000570408157 299257758 /nfs/dbraw/zinc/25/77/58/299257758.db2.gz XNCGKZKOAQDRGB-MRXNPFEDSA-N 2 1 277.412 2.245 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000570408157 299257762 /nfs/dbraw/zinc/25/77/62/299257762.db2.gz XNCGKZKOAQDRGB-MRXNPFEDSA-N 2 1 277.412 2.245 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC1(C)CCC1 ZINC000432777377 538895756 /nfs/dbraw/zinc/89/57/56/538895756.db2.gz UQEAXHFSXUZMIR-KFWWJZLASA-N 2 1 266.429 2.360 20 0 CEADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353512540 540315948 /nfs/dbraw/zinc/31/59/48/540315948.db2.gz DNSJCVUNTMXPII-CAOSSQGBSA-N 2 1 267.461 2.179 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1F ZINC000166061813 540330112 /nfs/dbraw/zinc/33/01/12/540330112.db2.gz ZBKUBEWSMXNZFR-MNOVXSKESA-N 2 1 252.333 2.003 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1F ZINC000166061813 540330115 /nfs/dbraw/zinc/33/01/15/540330115.db2.gz ZBKUBEWSMXNZFR-MNOVXSKESA-N 2 1 252.333 2.003 20 0 CEADMP Cn1cnc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000414122556 540341114 /nfs/dbraw/zinc/34/11/14/540341114.db2.gz IULNXOWATLIFBK-WMZOPIPTSA-N 3 1 298.434 2.388 20 0 CEADMP Cn1cnc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000414122556 540341117 /nfs/dbraw/zinc/34/11/17/540341117.db2.gz IULNXOWATLIFBK-WMZOPIPTSA-N 3 1 298.434 2.388 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)c1ccn2c(C)cnc2c1 ZINC000570647155 299268999 /nfs/dbraw/zinc/26/89/99/299268999.db2.gz HRMNIXBHNWYTCM-UHFFFAOYSA-N 2 1 288.395 2.104 20 0 CEADMP C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000390555589 540391782 /nfs/dbraw/zinc/39/17/82/540391782.db2.gz IFEMBALAZRZXKP-PVAVHDDUSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000390555589 540391784 /nfs/dbraw/zinc/39/17/84/540391784.db2.gz IFEMBALAZRZXKP-PVAVHDDUSA-N 2 1 275.440 2.366 20 0 CEADMP CO[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Cc1ccccc1 ZINC000294803763 199189945 /nfs/dbraw/zinc/18/99/45/199189945.db2.gz NCNRVRMULWYNLA-QGZVFWFLSA-N 2 1 299.418 2.495 20 0 CEADMP c1csc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000135114468 366397934 /nfs/dbraw/zinc/39/79/34/366397934.db2.gz SCBQYWSTTKTRBB-UHFFFAOYSA-N 2 1 295.452 2.220 20 0 CEADMP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000577898343 366413916 /nfs/dbraw/zinc/41/39/16/366413916.db2.gz LPSJLYHLNQNHHE-BZUAXINKSA-N 2 1 259.397 2.352 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)CC[NH2+]1 ZINC000414941915 236565513 /nfs/dbraw/zinc/56/55/13/236565513.db2.gz CVXQEBQTRZZLNA-SMDDNHRTSA-N 2 1 271.364 2.171 20 0 CEADMP CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000570859029 299281990 /nfs/dbraw/zinc/28/19/90/299281990.db2.gz SUZGWFMXIOZCRO-FVQBIDKESA-N 2 1 268.445 2.390 20 0 CEADMP CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000570859029 299281992 /nfs/dbraw/zinc/28/19/92/299281992.db2.gz SUZGWFMXIOZCRO-FVQBIDKESA-N 2 1 268.445 2.390 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C12CCCCC2 ZINC000578334191 366479083 /nfs/dbraw/zinc/47/90/83/366479083.db2.gz CHPOVMMRPWPXRC-OWCLPIDISA-N 2 1 298.471 2.017 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@H](c1ccccc1)N(C)C)C(C)C ZINC000338768784 366513501 /nfs/dbraw/zinc/51/35/01/366513501.db2.gz WYTWVEFVFVKQPA-INIZCTEOSA-N 2 1 291.439 2.136 20 0 CEADMP CC[N@H+](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000338768784 366513508 /nfs/dbraw/zinc/51/35/08/366513508.db2.gz WYTWVEFVFVKQPA-INIZCTEOSA-N 2 1 291.439 2.136 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000338768784 366513514 /nfs/dbraw/zinc/51/35/14/366513514.db2.gz WYTWVEFVFVKQPA-INIZCTEOSA-N 2 1 291.439 2.136 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000338771161 366515363 /nfs/dbraw/zinc/51/53/63/366515363.db2.gz FSTMUVANAGUGQD-MUJYYYPQSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+](C)C)cc2F)C1 ZINC000578521102 366505761 /nfs/dbraw/zinc/50/57/61/366505761.db2.gz LYCPMTBSVKWXSR-LBPRGKRZSA-N 2 1 293.386 2.168 20 0 CEADMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+](C)C)cc2F)C1 ZINC000578521102 366505771 /nfs/dbraw/zinc/50/57/71/366505771.db2.gz LYCPMTBSVKWXSR-LBPRGKRZSA-N 2 1 293.386 2.168 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000136301711 366507665 /nfs/dbraw/zinc/50/76/65/366507665.db2.gz JFTQBFPANXJGQI-ZDUSSCGKSA-N 2 1 294.443 2.207 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136301711 366507669 /nfs/dbraw/zinc/50/76/69/366507669.db2.gz JFTQBFPANXJGQI-ZDUSSCGKSA-N 2 1 294.443 2.207 20 0 CEADMP CC(C)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC000311465739 540456654 /nfs/dbraw/zinc/45/66/54/540456654.db2.gz NBXOUVXFWJSIRN-JKSUJKDBSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000311465739 540456658 /nfs/dbraw/zinc/45/66/58/540456658.db2.gz NBXOUVXFWJSIRN-JKSUJKDBSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000311465739 540456661 /nfs/dbraw/zinc/45/66/61/540456661.db2.gz NBXOUVXFWJSIRN-JKSUJKDBSA-N 2 1 270.461 2.446 20 0 CEADMP CC[C@@H]1CCCCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000311104690 540454375 /nfs/dbraw/zinc/45/43/75/540454375.db2.gz CZRMNCPVCAKPCG-HUUCEWRRSA-N 2 1 256.434 2.342 20 0 CEADMP CC[C@@H]1CCCCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000311104690 540454378 /nfs/dbraw/zinc/45/43/78/540454378.db2.gz CZRMNCPVCAKPCG-HUUCEWRRSA-N 2 1 256.434 2.342 20 0 CEADMP CC[C@@H]1CCCCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000311104690 540454382 /nfs/dbraw/zinc/45/43/82/540454382.db2.gz CZRMNCPVCAKPCG-HUUCEWRRSA-N 2 1 256.434 2.342 20 0 CEADMP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000311179951 540455209 /nfs/dbraw/zinc/45/52/09/540455209.db2.gz YBCTWYSYHPFACE-KFWWJZLASA-N 2 1 256.434 2.198 20 0 CEADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000496894851 291181320 /nfs/dbraw/zinc/18/13/20/291181320.db2.gz XFSPEGLIXRGIJO-XHDPSFHLSA-N 2 1 289.379 2.031 20 0 CEADMP Cc1csc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000671740871 540496767 /nfs/dbraw/zinc/49/67/67/540496767.db2.gz RPWCHENIHUDCFJ-BFHYXJOUSA-N 2 1 279.453 2.456 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000671770628 540508277 /nfs/dbraw/zinc/50/82/77/540508277.db2.gz HRWWMRPLKAQIFH-JYJNAYRXSA-N 2 1 265.445 2.077 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000671770628 540508282 /nfs/dbraw/zinc/50/82/82/540508282.db2.gz HRWWMRPLKAQIFH-JYJNAYRXSA-N 2 1 265.445 2.077 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671770628 540508284 /nfs/dbraw/zinc/50/82/84/540508284.db2.gz HRWWMRPLKAQIFH-JYJNAYRXSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1c(F)cncc1F ZINC000671770697 540508513 /nfs/dbraw/zinc/50/85/13/540508513.db2.gz BNXPUXNXIVWGCZ-VWYCJHECSA-N 2 1 269.339 2.493 20 0 CEADMP c1ccc(-c2ncc(C[NH2+][C@H]3CCC[NH2+]CC3)cn2)cc1 ZINC000666855557 540510025 /nfs/dbraw/zinc/51/00/25/540510025.db2.gz ZYSFJBILPNDMNL-INIZCTEOSA-N 2 1 282.391 2.375 20 0 CEADMP COCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC(C)C ZINC000667519896 540513120 /nfs/dbraw/zinc/51/31/20/540513120.db2.gz IQHUECMTFFPRSH-UHFFFAOYSA-N 2 1 288.395 2.372 20 0 CEADMP CO[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccncc2)CC1 ZINC000667967752 540543368 /nfs/dbraw/zinc/54/33/68/540543368.db2.gz YYCYAPILGOOKRS-INIZCTEOSA-N 2 1 286.379 2.268 20 0 CEADMP CO[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667967752 540543374 /nfs/dbraw/zinc/54/33/74/540543374.db2.gz YYCYAPILGOOKRS-INIZCTEOSA-N 2 1 286.379 2.268 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CCCO1 ZINC000668064756 540562025 /nfs/dbraw/zinc/56/20/25/540562025.db2.gz WHRNSXFLBNTPJK-FZKCQIBNSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CCCO1 ZINC000668064756 540562029 /nfs/dbraw/zinc/56/20/29/540562029.db2.gz WHRNSXFLBNTPJK-FZKCQIBNSA-N 2 1 266.429 2.266 20 0 CEADMP CCN(CCC[NH+]1CCCC1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000579023433 366583615 /nfs/dbraw/zinc/58/36/15/366583615.db2.gz PZIQFAXAEUWWIG-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1CC([NH+](C)C)C1 ZINC000579004547 366580364 /nfs/dbraw/zinc/58/03/64/366580364.db2.gz KNBYRMMHPVDPMY-IWCVFHTOSA-N 2 1 287.451 2.189 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2cnn(C)c2)C1 ZINC000151097973 366619983 /nfs/dbraw/zinc/61/99/83/366619983.db2.gz ZSRWKXVSZVZWFA-ZFWWWQNUSA-N 2 1 264.417 2.193 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2cnn(C)c2)C1 ZINC000151097973 366619985 /nfs/dbraw/zinc/61/99/85/366619985.db2.gz ZSRWKXVSZVZWFA-ZFWWWQNUSA-N 2 1 264.417 2.193 20 0 CEADMP CCS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000579110973 366594896 /nfs/dbraw/zinc/59/48/96/366594896.db2.gz NUYQVNFLFCZNIV-VHDGCEQUSA-N 2 1 286.485 2.095 20 0 CEADMP CCS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000579110973 366594901 /nfs/dbraw/zinc/59/49/01/366594901.db2.gz NUYQVNFLFCZNIV-VHDGCEQUSA-N 2 1 286.485 2.095 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000081257917 363707484 /nfs/dbraw/zinc/70/74/84/363707484.db2.gz ZELBWLJWYIHJQU-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CCc1oc2ccccc2c1C[N@H+](C)C[C@](C)(O)C[NH2+]C ZINC000579364044 366635453 /nfs/dbraw/zinc/63/54/53/366635453.db2.gz QOOPFIDSTCPEQK-QGZVFWFLSA-N 2 1 290.407 2.397 20 0 CEADMP CCc1oc2ccccc2c1C[N@@H+](C)C[C@](C)(O)C[NH2+]C ZINC000579364044 366635459 /nfs/dbraw/zinc/63/54/59/366635459.db2.gz QOOPFIDSTCPEQK-QGZVFWFLSA-N 2 1 290.407 2.397 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]CCCN2CCC(O)CC2)o1 ZINC000151378692 366642005 /nfs/dbraw/zinc/64/20/05/366642005.db2.gz YGOZMUWGTLENIX-CYBMUJFWSA-N 2 1 266.385 2.085 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000151452480 366645139 /nfs/dbraw/zinc/64/51/39/366645139.db2.gz IVWJMVGRNLFUKC-IJEWVQPXSA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000151452480 366645143 /nfs/dbraw/zinc/64/51/43/366645143.db2.gz IVWJMVGRNLFUKC-IJEWVQPXSA-N 2 1 299.422 2.086 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+](C)C)CCCO2 ZINC000151909880 366674167 /nfs/dbraw/zinc/67/41/67/366674167.db2.gz ITPZCRWBAJPCMT-HNNXBMFYSA-N 2 1 278.396 2.450 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(N2CCCC2=O)cc1 ZINC000151954019 366678994 /nfs/dbraw/zinc/67/89/94/366678994.db2.gz BHCSBPPNYWXSRG-AWEZNQCLSA-N 2 1 289.423 2.416 20 0 CEADMP N[C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000332367914 283521509 /nfs/dbraw/zinc/52/15/09/283521509.db2.gz VGFMLFCGOSJVJT-KBUPBQIOSA-N 2 1 253.434 2.001 20 0 CEADMP c1n[nH]cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000673812127 540697501 /nfs/dbraw/zinc/69/75/01/540697501.db2.gz RHUOEBSIEJZBCP-UHFFFAOYSA-N 2 1 262.401 2.296 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000571414155 299309014 /nfs/dbraw/zinc/30/90/14/299309014.db2.gz HCVCRPOEWABYFJ-OAGGEKHMSA-N 2 1 289.423 2.290 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(F)c2)CC[N@@H+]1C ZINC000178473288 189119282 /nfs/dbraw/zinc/11/92/82/189119282.db2.gz VTXHKKZPHDMYMS-OCCSQVGLSA-N 2 1 266.360 2.277 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(F)c2)CC[N@H+]1C ZINC000178473288 189119283 /nfs/dbraw/zinc/11/92/83/189119283.db2.gz VTXHKKZPHDMYMS-OCCSQVGLSA-N 2 1 266.360 2.277 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)NCC[C@@H](C)[NH3+])cc1)C(C)C ZINC000178655703 189135204 /nfs/dbraw/zinc/13/52/04/189135204.db2.gz WQJIWFLCFKAKTD-CQSZACIVSA-N 2 1 291.439 2.384 20 0 CEADMP C[N@@H+](CCCOC(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000674908013 540796159 /nfs/dbraw/zinc/79/61/59/540796159.db2.gz IGDPURABDDCHNM-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP C[NH+](CCCOC(C)(C)C)C[C@H]1CCC[N@H+](C)C1 ZINC000674908013 540796161 /nfs/dbraw/zinc/79/61/61/540796161.db2.gz IGDPURABDDCHNM-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP C[NH+](CCCOC(C)(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC000674908013 540796163 /nfs/dbraw/zinc/79/61/63/540796163.db2.gz IGDPURABDDCHNM-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP Fc1ccccc1[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000178971872 189158514 /nfs/dbraw/zinc/15/85/14/189158514.db2.gz IXWVKGIQYIOZAZ-MRXNPFEDSA-N 2 1 278.371 2.199 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCC[C@H](CO)C2)s1 ZINC000342250635 216279666 /nfs/dbraw/zinc/27/96/66/216279666.db2.gz PVEQYPBCRNQQAV-STQMWFEESA-N 2 1 297.468 2.093 20 0 CEADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc[nH]c1 ZINC000180984477 189285450 /nfs/dbraw/zinc/28/54/50/189285450.db2.gz ONCALMNFTRCLCF-SFHVURJKSA-N 2 1 299.418 2.261 20 0 CEADMP COC[C@@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000162155583 541040671 /nfs/dbraw/zinc/04/06/71/541040671.db2.gz UHDYCKVABIVFEX-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP COC[C@@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000162155583 541040672 /nfs/dbraw/zinc/04/06/72/541040672.db2.gz UHDYCKVABIVFEX-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP COc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cn1 ZINC000579777485 366698887 /nfs/dbraw/zinc/69/88/87/366698887.db2.gz QXDSIXCMUMTZGX-HUUCEWRRSA-N 2 1 275.396 2.006 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000153768518 366737870 /nfs/dbraw/zinc/73/78/70/366737870.db2.gz OUUSTGOBRKYLMN-KBPBESRZSA-N 2 1 256.434 2.369 20 0 CEADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237026192 370680689 /nfs/dbraw/zinc/68/06/89/370680689.db2.gz AVCIMOPCXCAWRB-FZKCQIBNSA-N 2 1 297.487 2.234 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)[C@@H]2CCC[C@H]21 ZINC000580075466 366745882 /nfs/dbraw/zinc/74/58/82/366745882.db2.gz OSNJBORKDFKRGO-YESZJQIVSA-N 3 1 273.424 2.108 20 0 CEADMP CN1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)[C@@H]2CCC[C@H]21 ZINC000580075466 366745889 /nfs/dbraw/zinc/74/58/89/366745889.db2.gz OSNJBORKDFKRGO-YESZJQIVSA-N 2 1 273.424 2.108 20 0 CEADMP C[N@@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2)[C@@H]2CCC[C@H]21 ZINC000580075466 366745895 /nfs/dbraw/zinc/74/58/95/366745895.db2.gz OSNJBORKDFKRGO-YESZJQIVSA-N 2 1 273.424 2.108 20 0 CEADMP C[N@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2)[C@@H]2CCC[C@H]21 ZINC000580075466 366745899 /nfs/dbraw/zinc/74/58/99/366745899.db2.gz OSNJBORKDFKRGO-YESZJQIVSA-N 2 1 273.424 2.108 20 0 CEADMP O[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580191503 366764078 /nfs/dbraw/zinc/76/40/78/366764078.db2.gz JBKUMFAHVZKKOI-BRWVUGGUSA-N 2 1 286.419 2.297 20 0 CEADMP O[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580191503 366764083 /nfs/dbraw/zinc/76/40/83/366764083.db2.gz JBKUMFAHVZKKOI-BRWVUGGUSA-N 2 1 286.419 2.297 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000154571790 366778891 /nfs/dbraw/zinc/77/88/91/366778891.db2.gz RASIDUWGBSLOQH-KGLIPLIRSA-N 2 1 292.427 2.127 20 0 CEADMP C[C@H](O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340244507 366817482 /nfs/dbraw/zinc/81/74/82/366817482.db2.gz JOEFKXJEZHBIMS-BPUTZDHNSA-N 2 1 262.397 2.182 20 0 CEADMP C[C@H](O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340244507 366817487 /nfs/dbraw/zinc/81/74/87/366817487.db2.gz JOEFKXJEZHBIMS-BPUTZDHNSA-N 2 1 262.397 2.182 20 0 CEADMP CCO[C@@H](CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000155716566 366820702 /nfs/dbraw/zinc/82/07/02/366820702.db2.gz ZJBVXEHYNNYGTH-ZNMIVQPWSA-N 2 1 256.434 2.367 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CCC[C@@H](CCO)C1 ZINC000678075586 541077808 /nfs/dbraw/zinc/07/78/08/541077808.db2.gz LLHXIKFNMLCSQO-HNNXBMFYSA-N 2 1 265.401 2.066 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000678075586 541077812 /nfs/dbraw/zinc/07/78/12/541077812.db2.gz LLHXIKFNMLCSQO-HNNXBMFYSA-N 2 1 265.401 2.066 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CCO)C1 ZINC000678075586 541077816 /nfs/dbraw/zinc/07/78/16/541077816.db2.gz LLHXIKFNMLCSQO-HNNXBMFYSA-N 2 1 265.401 2.066 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000678132649 541085879 /nfs/dbraw/zinc/08/58/79/541085879.db2.gz ZAAPKJUBLLLRNJ-MRXNPFEDSA-N 2 1 292.423 2.238 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000678132649 541085881 /nfs/dbraw/zinc/08/58/81/541085881.db2.gz ZAAPKJUBLLLRNJ-MRXNPFEDSA-N 2 1 292.423 2.238 20 0 CEADMP CC[NH+]1CCC(NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000019912917 361567906 /nfs/dbraw/zinc/56/79/06/361567906.db2.gz XZSDDCNFUBZPKT-OAHLLOKOSA-N 2 1 267.461 2.325 20 0 CEADMP c1cn(CCC[NH+]2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000342472743 216365273 /nfs/dbraw/zinc/36/52/73/216365273.db2.gz RBTASMFYNZUIKM-UHFFFAOYSA-N 2 1 276.428 2.224 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccnc1 ZINC000678429230 541133841 /nfs/dbraw/zinc/13/38/41/541133841.db2.gz UTGPKRRRZYHOSE-RHSMWYFYSA-N 2 1 289.423 2.376 20 0 CEADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000678343349 541119473 /nfs/dbraw/zinc/11/94/73/541119473.db2.gz RLRNBXZLOSGMOZ-HOTGVXAUSA-N 2 1 296.418 2.140 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)C12CCC2 ZINC000087710466 363867921 /nfs/dbraw/zinc/86/79/21/363867921.db2.gz ZITICZDGAPBRBE-LSDHHAIUSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000089615579 363983323 /nfs/dbraw/zinc/98/33/23/363983323.db2.gz SOOPSSSKBUBPFL-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000089615579 363983325 /nfs/dbraw/zinc/98/33/25/363983325.db2.gz SOOPSSSKBUBPFL-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000089615579 363983327 /nfs/dbraw/zinc/98/33/27/363983327.db2.gz SOOPSSSKBUBPFL-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000089615579 363983328 /nfs/dbraw/zinc/98/33/28/363983328.db2.gz SOOPSSSKBUBPFL-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090585250 364062780 /nfs/dbraw/zinc/06/27/80/364062780.db2.gz SUWXZDTYJAWSRB-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000093089109 364140109 /nfs/dbraw/zinc/14/01/09/364140109.db2.gz QEIXOCBGLNRJKV-UHFFFAOYSA-N 2 1 292.423 2.477 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093451019 364182480 /nfs/dbraw/zinc/18/24/80/364182480.db2.gz BMNJCEARGQGGQD-XHSDSOJGSA-N 3 1 267.461 2.229 20 0 CEADMP C[NH2+]CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000237293113 370706762 /nfs/dbraw/zinc/70/67/62/370706762.db2.gz SNHRNWODHKXGPQ-CYBMUJFWSA-N 2 1 275.396 2.076 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000638721512 370709283 /nfs/dbraw/zinc/70/92/83/370709283.db2.gz OXTVKBYICBRRKI-CQSZACIVSA-N 2 1 279.428 2.343 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000638721512 370709289 /nfs/dbraw/zinc/70/92/89/370709289.db2.gz OXTVKBYICBRRKI-CQSZACIVSA-N 2 1 279.428 2.343 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000237648948 370741315 /nfs/dbraw/zinc/74/13/15/370741315.db2.gz RXHNUVYNGOYEME-STQMWFEESA-N 2 1 299.378 2.032 20 0 CEADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC1=CCCOC1 ZINC000093660151 364211179 /nfs/dbraw/zinc/21/11/79/364211179.db2.gz VRZOOJGUUUXLPJ-OAHLLOKOSA-N 2 1 252.402 2.139 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1=CCCOC1 ZINC000093660151 364211187 /nfs/dbraw/zinc/21/11/87/364211187.db2.gz VRZOOJGUUUXLPJ-OAHLLOKOSA-N 2 1 252.402 2.139 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1=CCCOC1 ZINC000093660151 364211191 /nfs/dbraw/zinc/21/11/91/364211191.db2.gz VRZOOJGUUUXLPJ-OAHLLOKOSA-N 2 1 252.402 2.139 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1=CCCOC1 ZINC000093660151 364211197 /nfs/dbraw/zinc/21/11/97/364211197.db2.gz VRZOOJGUUUXLPJ-OAHLLOKOSA-N 2 1 252.402 2.139 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000334822859 364274207 /nfs/dbraw/zinc/27/42/07/364274207.db2.gz YAGBFPYATKNLMC-ZFWWWQNUSA-N 2 1 266.429 2.456 20 0 CEADMP C[C@H]([NH2+]Cc1cncnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272220683 541346121 /nfs/dbraw/zinc/34/61/21/541346121.db2.gz RZNHCXBXLIIDAM-MAUKXSAKSA-N 2 1 296.418 2.477 20 0 CEADMP C[C@H]([NH2+]Cc1cncnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272220683 541346124 /nfs/dbraw/zinc/34/61/24/541346124.db2.gz RZNHCXBXLIIDAM-MAUKXSAKSA-N 2 1 296.418 2.477 20 0 CEADMP CSc1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000334995933 364326465 /nfs/dbraw/zinc/32/64/65/364326465.db2.gz HEEMLRHUKCWCKY-TZMCWYRMSA-N 2 1 262.422 2.450 20 0 CEADMP C[C@@H]([NH2+]C1Cc2ccccc2C1)c1c[nH+]ccc1N ZINC000335039057 364387741 /nfs/dbraw/zinc/38/77/41/364387741.db2.gz LRHWJYLKGFPZJO-LLVKDONJSA-N 2 1 253.349 2.312 20 0 CEADMP COc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000158968865 366864199 /nfs/dbraw/zinc/86/41/99/366864199.db2.gz QBCVAMGYUYSRKD-CJNGLKHVSA-N 2 1 262.397 2.168 20 0 CEADMP COc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000158969019 366864321 /nfs/dbraw/zinc/86/43/21/366864321.db2.gz QBCVAMGYUYSRKD-BBRMVZONSA-N 2 1 262.397 2.168 20 0 CEADMP Cc1ccncc1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000335148337 364542570 /nfs/dbraw/zinc/54/25/70/364542570.db2.gz WGUVPSBZANPZQI-CYBMUJFWSA-N 2 1 256.353 2.113 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(N)c1)CC[NH2+]CC2 ZINC000335279561 364677839 /nfs/dbraw/zinc/67/78/39/364677839.db2.gz SKMISIPHGVRHSX-CYBMUJFWSA-N 2 1 259.397 2.233 20 0 CEADMP Cc1cccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000335464631 364768412 /nfs/dbraw/zinc/76/84/12/364768412.db2.gz XORWIALXNJBJGR-RDJZCZTQSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1cccc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000335464631 364768417 /nfs/dbraw/zinc/76/84/17/364768417.db2.gz XORWIALXNJBJGR-RDJZCZTQSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1cccc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000335464631 364768420 /nfs/dbraw/zinc/76/84/20/364768420.db2.gz XORWIALXNJBJGR-RDJZCZTQSA-N 2 1 273.424 2.349 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCc2c1cccc2Br ZINC000335468299 364774886 /nfs/dbraw/zinc/77/48/86/364774886.db2.gz PUJYNTCVQQRBIG-PRHODGIISA-N 2 1 269.186 2.373 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000112308658 364788568 /nfs/dbraw/zinc/78/85/68/364788568.db2.gz XURJDQIFULVREC-UHFFFAOYSA-N 2 1 291.439 2.210 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(C)c3ccccc3C2)CC[NH2+]1 ZINC000335628936 364816220 /nfs/dbraw/zinc/81/62/20/364816220.db2.gz RYJYAAROWOQUKK-CABCVRRESA-N 2 1 273.424 2.327 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335631977 212345438 /nfs/dbraw/zinc/34/54/38/212345438.db2.gz GCHDQIBINIUXBD-STQMWFEESA-N 2 1 265.426 2.273 20 0 CEADMP Cc1ncccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335631350 212345206 /nfs/dbraw/zinc/34/52/06/212345206.db2.gz BBHOWYBGSONEKY-HOCLYGCPSA-N 2 1 259.397 2.212 20 0 CEADMP COC1(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCCCC1 ZINC000335691597 364841425 /nfs/dbraw/zinc/84/14/25/364841425.db2.gz GPSIOHFJEXRHAT-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP COC1(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CCCCC1 ZINC000335691597 364841428 /nfs/dbraw/zinc/84/14/28/364841428.db2.gz GPSIOHFJEXRHAT-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP Cn1nccc1-c1ccccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000335745827 364920705 /nfs/dbraw/zinc/92/07/05/364920705.db2.gz XDCDGFXZFMGBDA-IYBDPMFKSA-N 2 1 296.418 2.081 20 0 CEADMP Cn1nccc1-c1ccccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000335745827 364920710 /nfs/dbraw/zinc/92/07/10/364920710.db2.gz XDCDGFXZFMGBDA-IYBDPMFKSA-N 2 1 296.418 2.081 20 0 CEADMP Cn1nccc1-c1ccccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000335745827 364920714 /nfs/dbraw/zinc/92/07/14/364920714.db2.gz XDCDGFXZFMGBDA-IYBDPMFKSA-N 2 1 296.418 2.081 20 0 CEADMP C[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccncc1 ZINC000680541736 541425710 /nfs/dbraw/zinc/42/57/10/541425710.db2.gz AONKQUNFKLTBJP-ZDUSSCGKSA-N 2 1 270.380 2.436 20 0 CEADMP CC1(C)Cc2cc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc2O1 ZINC000357056239 370803516 /nfs/dbraw/zinc/80/35/16/370803516.db2.gz SJWCAZWXPXIEMC-ZBFHGGJFSA-N 2 1 286.419 2.441 20 0 CEADMP CC1(C)Cc2cc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc2O1 ZINC000357056239 370803521 /nfs/dbraw/zinc/80/35/21/370803521.db2.gz SJWCAZWXPXIEMC-ZBFHGGJFSA-N 2 1 286.419 2.441 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1cccc(F)c1N ZINC000638862499 370803603 /nfs/dbraw/zinc/80/36/03/370803603.db2.gz GYWXMWTYEVLVOX-UHFFFAOYSA-N 2 1 253.365 2.229 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CCc1ccncc1)CC2 ZINC000336010098 365285603 /nfs/dbraw/zinc/28/56/03/365285603.db2.gz OMGASSFLTJUSDP-UHFFFAOYSA-N 2 1 259.397 2.184 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CCc1ccncc1)CC2 ZINC000336010098 365285611 /nfs/dbraw/zinc/28/56/11/365285611.db2.gz OMGASSFLTJUSDP-UHFFFAOYSA-N 2 1 259.397 2.184 20 0 CEADMP CCCC[C@H](COC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119698549 365312533 /nfs/dbraw/zinc/31/25/33/365312533.db2.gz JDMVLGWEGBTWFN-CQSZACIVSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCNC(=O)OC(C)(C)C ZINC000119765595 365322228 /nfs/dbraw/zinc/32/22/28/365322228.db2.gz GNFHDXIBLDKPSM-MCIONIFRSA-N 2 1 299.459 2.220 20 0 CEADMP C[C@@H]([NH3+])C1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000582231908 366882719 /nfs/dbraw/zinc/88/27/19/366882719.db2.gz PPDROIFBGIIKFU-CYBMUJFWSA-N 2 1 289.427 2.031 20 0 CEADMP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@H]1[NH3+] ZINC000336055515 365347526 /nfs/dbraw/zinc/34/75/26/365347526.db2.gz IESJHFYMSRMSJK-IAQYHMDHSA-N 2 1 288.370 2.385 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@H]1[NH3+] ZINC000336055515 365347534 /nfs/dbraw/zinc/34/75/34/365347534.db2.gz IESJHFYMSRMSJK-IAQYHMDHSA-N 2 1 288.370 2.385 20 0 CEADMP Cc1nccn1CCC[N@H+](C)CCOC(C)(C)C ZINC000120556152 365441849 /nfs/dbraw/zinc/44/18/49/365441849.db2.gz VZGVRYQFQXYNCG-UHFFFAOYSA-N 2 1 253.390 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOC(C)(C)C ZINC000120556152 365441852 /nfs/dbraw/zinc/44/18/52/365441852.db2.gz VZGVRYQFQXYNCG-UHFFFAOYSA-N 2 1 253.390 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOC(C)(C)C ZINC000120556152 365441855 /nfs/dbraw/zinc/44/18/55/365441855.db2.gz VZGVRYQFQXYNCG-UHFFFAOYSA-N 2 1 253.390 2.329 20 0 CEADMP CC(C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000120634709 365452610 /nfs/dbraw/zinc/45/26/10/365452610.db2.gz QXCLCGPGGJSBRS-MRXNPFEDSA-N 2 1 262.397 2.141 20 0 CEADMP CCN1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000340475680 366901471 /nfs/dbraw/zinc/90/14/71/366901471.db2.gz MWWORASCXDZJDE-UHFFFAOYSA-N 2 1 267.461 2.326 20 0 CEADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)CC1CCCC1 ZINC000582481903 366915932 /nfs/dbraw/zinc/91/59/32/366915932.db2.gz LHZFWSJADXKFLL-MRXNPFEDSA-N 2 1 266.429 2.144 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CCC1=CCCCCC1)C1CC1 ZINC000572395164 299364586 /nfs/dbraw/zinc/36/45/86/299364586.db2.gz XPDDZUFYMLXSBU-INIZCTEOSA-N 2 1 266.429 2.312 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC1=CCCCCC1)C1CC1 ZINC000572395164 299364589 /nfs/dbraw/zinc/36/45/89/299364589.db2.gz XPDDZUFYMLXSBU-INIZCTEOSA-N 2 1 266.429 2.312 20 0 CEADMP C[C@H](C[N@H+]1CC[C@@H](c2nccn2C)C1)C(F)(F)F ZINC000583330215 367034247 /nfs/dbraw/zinc/03/42/47/367034247.db2.gz QPEWNCWRHNKSJK-NXEZZACHSA-N 2 1 261.291 2.408 20 0 CEADMP Cc1[nH+]cc(CN[C@H](c2nnc3ccccn32)C(C)C)n1C ZINC000583946362 367120929 /nfs/dbraw/zinc/12/09/29/367120929.db2.gz YKOCHSXNJOGQRY-HNNXBMFYSA-N 2 1 298.394 2.258 20 0 CEADMP C[N@@H+]1CC[C@H]2CC[NH+](CC3CCSCC3)[C@H]2C1 ZINC000638918398 370840662 /nfs/dbraw/zinc/84/06/62/370840662.db2.gz PLSAFBBHLDSSAV-KBPBESRZSA-N 2 1 254.443 2.156 20 0 CEADMP C[N@H+]1CC[C@H]2CC[NH+](CC3CCSCC3)[C@H]2C1 ZINC000638918398 370840667 /nfs/dbraw/zinc/84/06/67/370840667.db2.gz PLSAFBBHLDSSAV-KBPBESRZSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@H]2CC[N@H+](CC3CCSCC3)[C@H]2C1 ZINC000638918398 370840672 /nfs/dbraw/zinc/84/06/72/370840672.db2.gz PLSAFBBHLDSSAV-KBPBESRZSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@H]2CC[N@@H+](CC3CCSCC3)[C@H]2C1 ZINC000638918398 370840674 /nfs/dbraw/zinc/84/06/74/370840674.db2.gz PLSAFBBHLDSSAV-KBPBESRZSA-N 2 1 254.443 2.156 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000245624028 370850229 /nfs/dbraw/zinc/85/02/29/370850229.db2.gz ONEGQEIJANJVOL-ZIAGYGMSSA-N 2 1 262.401 2.073 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000245624028 370850232 /nfs/dbraw/zinc/85/02/32/370850232.db2.gz ONEGQEIJANJVOL-ZIAGYGMSSA-N 2 1 262.401 2.073 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000245624028 370850234 /nfs/dbraw/zinc/85/02/34/370850234.db2.gz ONEGQEIJANJVOL-ZIAGYGMSSA-N 2 1 262.401 2.073 20 0 CEADMP CC[C@@H](C)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245641543 370852892 /nfs/dbraw/zinc/85/28/92/370852892.db2.gz ZAWPQFPWJBGWAN-HZPDHXFCSA-N 2 1 267.461 2.134 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245641543 370852896 /nfs/dbraw/zinc/85/28/96/370852896.db2.gz ZAWPQFPWJBGWAN-HZPDHXFCSA-N 2 1 267.461 2.134 20 0 CEADMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245680477 370856685 /nfs/dbraw/zinc/85/66/85/370856685.db2.gz PBWKOSMYASNGLL-ILXRZTDVSA-N 2 1 292.427 2.071 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)Nc1nc(C)[nH+]c(C)c1C ZINC000341153605 367198146 /nfs/dbraw/zinc/19/81/46/367198146.db2.gz XXTJDEDVGZPSKP-NSHDSACASA-N 2 1 264.417 2.356 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)Nc1nc(C)[nH+]c(C)c1C ZINC000341153605 367198148 /nfs/dbraw/zinc/19/81/48/367198148.db2.gz XXTJDEDVGZPSKP-NSHDSACASA-N 2 1 264.417 2.356 20 0 CEADMP Cc1nc(C[C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)no1 ZINC000245691016 370859169 /nfs/dbraw/zinc/85/91/69/370859169.db2.gz VXRNOHUMFLKTDJ-HUUCEWRRSA-N 2 1 292.427 2.117 20 0 CEADMP Cc1nc(C[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)no1 ZINC000245691016 370859171 /nfs/dbraw/zinc/85/91/71/370859171.db2.gz VXRNOHUMFLKTDJ-HUUCEWRRSA-N 2 1 292.427 2.117 20 0 CEADMP Cc1nc(C[C@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)no1 ZINC000245691016 370859175 /nfs/dbraw/zinc/85/91/75/370859175.db2.gz VXRNOHUMFLKTDJ-HUUCEWRRSA-N 2 1 292.427 2.117 20 0 CEADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2CC[C@H]1CCC[N@H+]1C ZINC000245580777 370844526 /nfs/dbraw/zinc/84/45/26/370844526.db2.gz CHURXNSHALXRCX-OAGGEKHMSA-N 2 1 265.445 2.029 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000163278333 367228873 /nfs/dbraw/zinc/22/88/73/367228873.db2.gz PWIHGGBSARBLTP-PJSUUKDQSA-N 2 1 294.464 2.416 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000163309669 367230103 /nfs/dbraw/zinc/23/01/03/367230103.db2.gz MNOMIXQTRMJZTK-INIZCTEOSA-N 2 1 286.379 2.130 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000163309669 367230115 /nfs/dbraw/zinc/23/01/15/367230115.db2.gz MNOMIXQTRMJZTK-INIZCTEOSA-N 2 1 286.379 2.130 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000163447942 367240753 /nfs/dbraw/zinc/24/07/53/367240753.db2.gz VLZPUJZZWOBAOQ-WFASDCNBSA-N 2 1 260.381 2.038 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000166886447 367331953 /nfs/dbraw/zinc/33/19/53/367331953.db2.gz WEFHIVANQPYOIY-NSHDSACASA-N 2 1 298.228 2.276 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000166886447 367331961 /nfs/dbraw/zinc/33/19/61/367331961.db2.gz WEFHIVANQPYOIY-NSHDSACASA-N 2 1 298.228 2.276 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000341915155 367380653 /nfs/dbraw/zinc/38/06/53/367380653.db2.gz XVHFLCMKFLKEBW-KJWHEZOQSA-N 2 1 254.418 2.120 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3CCOC4)C[C@@H]21 ZINC000631823345 367561486 /nfs/dbraw/zinc/56/14/86/367561486.db2.gz BZBCGTGBJOVPDS-FHLIZLRMSA-N 2 1 286.419 2.319 20 0 CEADMP CCC[NH+](CCC)CCCN[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000342847789 367569016 /nfs/dbraw/zinc/56/90/16/367569016.db2.gz HFAKUWKSHSLYFZ-HOTGVXAUSA-N 2 1 269.477 2.428 20 0 CEADMP COc1ccccc1CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839030 367579385 /nfs/dbraw/zinc/57/93/85/367579385.db2.gz YTRYEMCQSQNZGX-UKRRQHHQSA-N 2 1 262.397 2.154 20 0 CEADMP C[C@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000631838285 367579473 /nfs/dbraw/zinc/57/94/73/367579473.db2.gz LTVAUEWTIMZZGD-GXTWGEPZSA-N 2 1 250.361 2.285 20 0 CEADMP C[C@H]1C[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@H]1C[NH3+] ZINC000631841971 367582875 /nfs/dbraw/zinc/58/28/75/367582875.db2.gz SOZPYQQFFOWTKN-GXSJLCMTSA-N 2 1 282.771 2.095 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@H]1C[NH3+] ZINC000631841971 367582877 /nfs/dbraw/zinc/58/28/77/367582877.db2.gz SOZPYQQFFOWTKN-GXSJLCMTSA-N 2 1 282.771 2.095 20 0 CEADMP C[C@@H]1C[N@H+](CCOc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000631842940 367584387 /nfs/dbraw/zinc/58/43/87/367584387.db2.gz HPQOQYZEZWQSMZ-VXGBXAGGSA-N 2 1 268.788 2.245 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000631842940 367584390 /nfs/dbraw/zinc/58/43/90/367584390.db2.gz HPQOQYZEZWQSMZ-VXGBXAGGSA-N 2 1 268.788 2.245 20 0 CEADMP OCC[NH2+]C1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000631863854 367599753 /nfs/dbraw/zinc/59/97/53/367599753.db2.gz DKSAOVSKPJALCE-UHFFFAOYSA-N 2 1 290.432 2.448 20 0 CEADMP Cc1cccc([C@H](C)[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000631864843 367600097 /nfs/dbraw/zinc/60/00/97/367600097.db2.gz YQBJETNJYCRMGA-AWEZNQCLSA-N 2 1 262.397 2.102 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886700 367608807 /nfs/dbraw/zinc/60/88/07/367608807.db2.gz JJXFFPZWYUSIOW-RDJZCZTQSA-N 2 1 287.407 2.219 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886700 367608812 /nfs/dbraw/zinc/60/88/12/367608812.db2.gz JJXFFPZWYUSIOW-RDJZCZTQSA-N 2 1 287.407 2.219 20 0 CEADMP Cc1cccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886006 367609134 /nfs/dbraw/zinc/60/91/34/367609134.db2.gz GJDYFEZVETZHEI-RDJZCZTQSA-N 2 1 274.408 2.448 20 0 CEADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)c2)c1 ZINC000631891064 367612379 /nfs/dbraw/zinc/61/23/79/367612379.db2.gz VRMBGBOXFUXLER-SJLPKXTDSA-N 2 1 296.418 2.446 20 0 CEADMP CCOc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000172196912 367696820 /nfs/dbraw/zinc/69/68/20/367696820.db2.gz BPFWMGNDHNIWAK-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000172196912 367696825 /nfs/dbraw/zinc/69/68/25/367696825.db2.gz BPFWMGNDHNIWAK-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000358017025 370871968 /nfs/dbraw/zinc/87/19/68/370871968.db2.gz NWFSFZIVMHPMJA-BFYDXBDKSA-N 2 1 287.451 2.367 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000358021350 370873327 /nfs/dbraw/zinc/87/33/27/370873327.db2.gz NLHZTZCYXDQIGV-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)CCn1cccn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245947924 370892354 /nfs/dbraw/zinc/89/23/54/370892354.db2.gz KROXBVBANQYTTP-OWCLPIDISA-N 2 1 278.444 2.372 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)CCn1cccn1)[N@H+]1CCC[C@@H](C)C1 ZINC000245947924 370892356 /nfs/dbraw/zinc/89/23/56/370892356.db2.gz KROXBVBANQYTTP-OWCLPIDISA-N 2 1 278.444 2.372 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc2c[nH]nc21 ZINC000343595319 367907151 /nfs/dbraw/zinc/90/71/51/367907151.db2.gz AGIDAMWWYAGSKE-UHFFFAOYSA-N 2 1 272.396 2.481 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2c[nH]nc21 ZINC000343595319 367907155 /nfs/dbraw/zinc/90/71/55/367907155.db2.gz AGIDAMWWYAGSKE-UHFFFAOYSA-N 2 1 272.396 2.481 20 0 CEADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000173597569 367926644 /nfs/dbraw/zinc/92/66/44/367926644.db2.gz IMUJLIWJBZSHAG-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000173362183 367902255 /nfs/dbraw/zinc/90/22/55/367902255.db2.gz ROGBKIDWDOGGKE-HIFRSBDPSA-N 2 1 290.407 2.278 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000173362183 367902260 /nfs/dbraw/zinc/90/22/60/367902260.db2.gz ROGBKIDWDOGGKE-HIFRSBDPSA-N 2 1 290.407 2.278 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000343643600 367934555 /nfs/dbraw/zinc/93/45/55/367934555.db2.gz QSGWPRIUCLGMFL-NXOAAHMSSA-N 2 1 281.488 2.427 20 0 CEADMP COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000343652931 367939501 /nfs/dbraw/zinc/93/95/01/367939501.db2.gz HFCNWCPSLBMRIR-IJEWVQPXSA-N 2 1 282.428 2.182 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000174223365 367999945 /nfs/dbraw/zinc/99/99/45/367999945.db2.gz IAHARTXSBTVADT-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(CCOc2ccccc2)C1 ZINC000173881366 367954013 /nfs/dbraw/zinc/95/40/13/367954013.db2.gz WCZSQMCHPIQZDQ-OAHLLOKOSA-N 2 1 262.397 2.339 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2)C1 ZINC000173881366 367954019 /nfs/dbraw/zinc/95/40/19/367954019.db2.gz WCZSQMCHPIQZDQ-OAHLLOKOSA-N 2 1 262.397 2.339 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2)C1 ZINC000173881366 367954021 /nfs/dbraw/zinc/95/40/21/367954021.db2.gz WCZSQMCHPIQZDQ-OAHLLOKOSA-N 2 1 262.397 2.339 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000173881366 367954024 /nfs/dbraw/zinc/95/40/24/367954024.db2.gz WCZSQMCHPIQZDQ-OAHLLOKOSA-N 2 1 262.397 2.339 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000173881366 367954027 /nfs/dbraw/zinc/95/40/27/367954027.db2.gz WCZSQMCHPIQZDQ-OAHLLOKOSA-N 2 1 262.397 2.339 20 0 CEADMP COC[C@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000173897899 367955733 /nfs/dbraw/zinc/95/57/33/367955733.db2.gz KOKVVMSDBOQOQY-AWEZNQCLSA-N 2 1 262.397 2.059 20 0 CEADMP COC[C@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000173897899 367955736 /nfs/dbraw/zinc/95/57/36/367955736.db2.gz KOKVVMSDBOQOQY-AWEZNQCLSA-N 2 1 262.397 2.059 20 0 CEADMP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000245995629 370897213 /nfs/dbraw/zinc/89/72/13/370897213.db2.gz FEGLIYXTIZSKGX-JKSUJKDBSA-N 2 1 262.397 2.448 20 0 CEADMP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000245995629 370897218 /nfs/dbraw/zinc/89/72/18/370897218.db2.gz FEGLIYXTIZSKGX-JKSUJKDBSA-N 2 1 262.397 2.448 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCOCC2)[C@H](C)C1 ZINC000174775188 368066109 /nfs/dbraw/zinc/06/61/09/368066109.db2.gz OUEIKHHWGVMISB-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000335522774 212212530 /nfs/dbraw/zinc/21/25/30/212212530.db2.gz ZZJRTDDHANRHFD-JKSUJKDBSA-N 2 1 295.471 2.227 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000343942953 368083157 /nfs/dbraw/zinc/08/31/57/368083157.db2.gz VEBXGZHAFQYZSA-HRCADAONSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343942953 368083162 /nfs/dbraw/zinc/08/31/62/368083162.db2.gz VEBXGZHAFQYZSA-HRCADAONSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000343942953 368083164 /nfs/dbraw/zinc/08/31/64/368083164.db2.gz VEBXGZHAFQYZSA-HRCADAONSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000343969111 368096871 /nfs/dbraw/zinc/09/68/71/368096871.db2.gz BPOACQDEDLRSFX-HUUCEWRRSA-N 2 1 266.433 2.372 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000343969111 368096876 /nfs/dbraw/zinc/09/68/76/368096876.db2.gz BPOACQDEDLRSFX-HUUCEWRRSA-N 2 1 266.433 2.372 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2)[C@H](C)C1 ZINC000345160239 368174561 /nfs/dbraw/zinc/17/45/61/368174561.db2.gz PKVQNTANOSLJJD-NXHRZFHOSA-N 2 1 290.451 2.158 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)CC1 ZINC000178979505 368318850 /nfs/dbraw/zinc/31/88/50/368318850.db2.gz ZOYXZCBDOOTDOK-GOSISDBHSA-N 2 1 293.499 2.430 20 0 CEADMP CC[NH+](CC)CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000181407338 368451335 /nfs/dbraw/zinc/45/13/35/368451335.db2.gz ZSHLSSZQKCOZPE-WBVHZDCISA-N 2 1 279.472 2.277 20 0 CEADMP Cc1nn(-c2ccncc2)cc1CN1C[C@H](C)OC[C@H]1C ZINC000346150032 368562632 /nfs/dbraw/zinc/56/26/32/368562632.db2.gz MCHUBJCFDJXKLC-OLZOCXBDSA-N 2 1 286.379 2.185 20 0 CEADMP C[N@@H+](CCc1ccncc1)Cc1cccc2nccn21 ZINC000183758790 368647540 /nfs/dbraw/zinc/64/75/40/368647540.db2.gz JLOXNKYTEZVUKJ-UHFFFAOYSA-N 2 1 266.348 2.404 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@H]2CCCO2)C1 ZINC000346413725 368667760 /nfs/dbraw/zinc/66/77/60/368667760.db2.gz NWQFWGPOKRLZGJ-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000346413725 368667764 /nfs/dbraw/zinc/66/77/64/368667764.db2.gz NWQFWGPOKRLZGJ-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000346413725 368667769 /nfs/dbraw/zinc/66/77/69/368667769.db2.gz NWQFWGPOKRLZGJ-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358087661 370898689 /nfs/dbraw/zinc/89/86/89/370898689.db2.gz XNXAXOQHUTXICH-JHJVBQTASA-N 2 1 270.417 2.179 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358087661 370898692 /nfs/dbraw/zinc/89/86/92/370898692.db2.gz XNXAXOQHUTXICH-JHJVBQTASA-N 2 1 270.417 2.179 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000246014187 370899561 /nfs/dbraw/zinc/89/95/61/370899561.db2.gz LLWIJLGGWJYWAI-ZBFHGGJFSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000246014187 370899567 /nfs/dbraw/zinc/89/95/67/370899567.db2.gz LLWIJLGGWJYWAI-ZBFHGGJFSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000346670637 368761403 /nfs/dbraw/zinc/76/14/03/368761403.db2.gz GRQADPNJTXLONW-HOCLYGCPSA-N 2 1 284.407 2.101 20 0 CEADMP CC(C)Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358179301 370938197 /nfs/dbraw/zinc/93/81/97/370938197.db2.gz ZLACRLWCTFCRGP-QGZVFWFLSA-N 2 1 276.424 2.041 20 0 CEADMP CC(C)Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358179301 370938201 /nfs/dbraw/zinc/93/82/01/370938201.db2.gz ZLACRLWCTFCRGP-QGZVFWFLSA-N 2 1 276.424 2.041 20 0 CEADMP CC(C)c1ncc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000346681852 368767522 /nfs/dbraw/zinc/76/75/22/368767522.db2.gz NLIYLWQXBSGCFW-WDEREUQCSA-N 2 1 253.415 2.436 20 0 CEADMP CC(C)c1ncc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000346681852 368767525 /nfs/dbraw/zinc/76/75/25/368767525.db2.gz NLIYLWQXBSGCFW-WDEREUQCSA-N 2 1 253.415 2.436 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000346635395 368744191 /nfs/dbraw/zinc/74/41/91/368744191.db2.gz GXBNIPVZRLDYQK-JSGCOSHPSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000346660320 368757350 /nfs/dbraw/zinc/75/73/50/368757350.db2.gz ANGSVGWPYXOHBE-JSGCOSHPSA-N 2 1 288.370 2.181 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000346660320 368757354 /nfs/dbraw/zinc/75/73/54/368757354.db2.gz ANGSVGWPYXOHBE-JSGCOSHPSA-N 2 1 288.370 2.181 20 0 CEADMP CC[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)[NH+]1CCCC1 ZINC000634678108 368808563 /nfs/dbraw/zinc/80/85/63/368808563.db2.gz ITPGBWSONUBEGU-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCOC(C)(C)C2)CCCO1 ZINC000634683699 368812985 /nfs/dbraw/zinc/81/29/85/368812985.db2.gz XZFLMOHISFNQPH-GJZGRUSLSA-N 2 1 284.444 2.035 20 0 CEADMP CCOC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661300 368839098 /nfs/dbraw/zinc/83/90/98/368839098.db2.gz BSSIDIVCWDUSPP-KBPBESRZSA-N 2 1 282.428 2.182 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCCC12CC2 ZINC000634724044 368840317 /nfs/dbraw/zinc/84/03/17/368840317.db2.gz IQSHOMHIOBXNJP-IRXDYDNUSA-N 2 1 288.435 2.402 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCCC12CC2 ZINC000634724044 368840322 /nfs/dbraw/zinc/84/03/22/368840322.db2.gz IQSHOMHIOBXNJP-IRXDYDNUSA-N 2 1 288.435 2.402 20 0 CEADMP COC(=O)CCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185681746 368842372 /nfs/dbraw/zinc/84/23/72/368842372.db2.gz XQHXXMMXNDVWEL-KGLIPLIRSA-N 2 1 282.428 2.182 20 0 CEADMP OCCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000346964588 368795777 /nfs/dbraw/zinc/79/57/77/368795777.db2.gz BNMLZHONMIVQSR-QAPCUYQASA-N 2 1 288.435 2.358 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347003752 368797208 /nfs/dbraw/zinc/79/72/08/368797208.db2.gz MCBNXMBEMKHROP-IPYPFGDCSA-N 2 1 254.418 2.108 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](C)CC2CCOCC2)C1 ZINC000347067483 368797903 /nfs/dbraw/zinc/79/79/03/368797903.db2.gz MUXVIUUKGYDQAG-GOEBONIOSA-N 2 1 268.445 2.371 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348061778 368880882 /nfs/dbraw/zinc/88/08/82/368880882.db2.gz WUAXWMVPRGGBGH-FRRDWIJNSA-N 2 1 294.361 2.418 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348087165 368891430 /nfs/dbraw/zinc/89/14/30/368891430.db2.gz OTJLHMFKSKSWPI-FRRDWIJNSA-N 2 1 294.361 2.418 20 0 CEADMP CCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185758992 368854154 /nfs/dbraw/zinc/85/41/54/368854154.db2.gz HNGWWDUAGAUOHT-SOUVJXGZSA-N 2 1 295.471 2.144 20 0 CEADMP CCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185758992 368854162 /nfs/dbraw/zinc/85/41/62/368854162.db2.gz HNGWWDUAGAUOHT-SOUVJXGZSA-N 2 1 295.471 2.144 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCSC2)[C@@H](C)C1 ZINC000348246102 368967070 /nfs/dbraw/zinc/96/70/70/368967070.db2.gz RLWMWYVYVJEINB-IHRRRGAJSA-N 2 1 256.459 2.450 20 0 CEADMP CCCCN(CC)C(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000348264635 368976682 /nfs/dbraw/zinc/97/66/82/368976682.db2.gz OFSLTBPTBBLAIZ-UHFFFAOYSA-N 2 1 294.443 2.162 20 0 CEADMP CCCCN(CC)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000348264635 368976686 /nfs/dbraw/zinc/97/66/86/368976686.db2.gz OFSLTBPTBBLAIZ-UHFFFAOYSA-N 2 1 294.443 2.162 20 0 CEADMP CC[N@@H+]1C[C@H](N[C@@H](C[NH+](C)C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000348315823 368999374 /nfs/dbraw/zinc/99/93/74/368999374.db2.gz IGAPKMMAGDSQSC-JQFCIGGWSA-N 2 1 293.430 2.358 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000635010559 369046836 /nfs/dbraw/zinc/04/68/36/369046836.db2.gz AJZYJRUVDBHEFY-ILXRZTDVSA-N 2 1 266.429 2.313 20 0 CEADMP CC[C@H](C[NH2+]CC12CC(C1)C[NH2+]2)Oc1ccccc1C ZINC000634995601 369024870 /nfs/dbraw/zinc/02/48/70/369024870.db2.gz KCAWQJPGELWTIW-ISXOHVOVSA-N 2 1 274.408 2.494 20 0 CEADMP Clc1cccc(CC[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000634995833 369025241 /nfs/dbraw/zinc/02/52/41/369025241.db2.gz QBILOKYKWLXGHD-UHFFFAOYSA-N 2 1 250.773 2.224 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000634998532 369029744 /nfs/dbraw/zinc/02/97/44/369029744.db2.gz HAGGAOAETUUTTR-GXTWGEPZSA-N 2 1 270.380 2.103 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[C@@H]([NH3+])Cc2ccccc2)[C@@H](C)C1 ZINC000635009757 369044909 /nfs/dbraw/zinc/04/49/09/369044909.db2.gz WIAQAQNJKCHOCX-JQHSSLGASA-N 2 1 289.467 2.266 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)[C@@H](C)C1 ZINC000635009757 369044916 /nfs/dbraw/zinc/04/49/16/369044916.db2.gz WIAQAQNJKCHOCX-JQHSSLGASA-N 3 1 289.467 2.266 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)[C@@H](C)C1 ZINC000635009757 369044921 /nfs/dbraw/zinc/04/49/21/369044921.db2.gz WIAQAQNJKCHOCX-JQHSSLGASA-N 3 1 289.467 2.266 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000348304438 368993364 /nfs/dbraw/zinc/99/33/64/368993364.db2.gz GJAHZIKOVMOUNL-GFCCVEGCSA-N 2 1 261.373 2.320 20 0 CEADMP CC[N@H+]1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)[C@@H](C)C1 ZINC000348552005 369086211 /nfs/dbraw/zinc/08/62/11/369086211.db2.gz KAEGXHDXSQHNCC-AWEZNQCLSA-N 2 1 299.422 2.102 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CCC[NH2+]C(C)C)cc1O ZINC000572749338 299395819 /nfs/dbraw/zinc/39/58/19/299395819.db2.gz WWBKDWTZDHCJSU-LBPRGKRZSA-N 2 1 266.385 2.440 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@H](C)C1 ZINC000635011952 369049814 /nfs/dbraw/zinc/04/98/14/369049814.db2.gz RNXNMOXUXDVPAU-RDTXWAMCSA-N 3 1 287.451 2.152 20 0 CEADMP CC[N@@H+]1CC[C@@H](NCc2cccc3c2CC[NH2+]C3)[C@H](C)C1 ZINC000635011952 369049818 /nfs/dbraw/zinc/04/98/18/369049818.db2.gz RNXNMOXUXDVPAU-RDTXWAMCSA-N 2 1 287.451 2.152 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2cccc3c2CC[NH2+]C3)[C@H](C)C1 ZINC000635011952 369049825 /nfs/dbraw/zinc/04/98/25/369049825.db2.gz RNXNMOXUXDVPAU-RDTXWAMCSA-N 2 1 287.451 2.152 20 0 CEADMP CCN1CC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@H](C)C1 ZINC000635011952 369049830 /nfs/dbraw/zinc/04/98/30/369049830.db2.gz RNXNMOXUXDVPAU-RDTXWAMCSA-N 2 1 287.451 2.152 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000348754929 369142648 /nfs/dbraw/zinc/14/26/48/369142648.db2.gz DLVOXVMKQFASNS-OAHLLOKOSA-N 2 1 250.361 2.429 20 0 CEADMP Cc1nccn1CCC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000348757913 369144973 /nfs/dbraw/zinc/14/49/73/369144973.db2.gz ZDXLMRNOKXAKKH-MSOLQXFVSA-N 2 1 298.434 2.256 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000348757913 369144980 /nfs/dbraw/zinc/14/49/80/369144980.db2.gz ZDXLMRNOKXAKKH-MSOLQXFVSA-N 3 1 298.434 2.256 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000348757913 369144986 /nfs/dbraw/zinc/14/49/86/369144986.db2.gz ZDXLMRNOKXAKKH-MSOLQXFVSA-N 3 1 298.434 2.256 20 0 CEADMP COC[C@H](C)C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000187671088 369198340 /nfs/dbraw/zinc/19/83/40/369198340.db2.gz UPDOCEKUWXTZJV-HUUCEWRRSA-N 2 1 256.434 2.371 20 0 CEADMP COC[C@H](C)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000187643731 369194647 /nfs/dbraw/zinc/19/46/47/369194647.db2.gz RZQDERNEJKIVKC-OAHLLOKOSA-N 2 1 276.424 2.307 20 0 CEADMP COC[C@H](C)C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000187643731 369194651 /nfs/dbraw/zinc/19/46/51/369194651.db2.gz RZQDERNEJKIVKC-OAHLLOKOSA-N 2 1 276.424 2.307 20 0 CEADMP CC(C)CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000635560386 369220027 /nfs/dbraw/zinc/22/00/27/369220027.db2.gz ZYNVMICQTZJSNL-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000349151953 369254390 /nfs/dbraw/zinc/25/43/90/369254390.db2.gz PCUGDTUXYUEZEU-INIZCTEOSA-N 2 1 289.423 2.254 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccn(C(F)F)n3)C2)CC1 ZINC000349152159 369254533 /nfs/dbraw/zinc/25/45/33/369254533.db2.gz PHVCVUWOKPYRFU-CYBMUJFWSA-N 2 1 298.381 2.442 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccn(C(F)F)n3)C2)CC1 ZINC000349152159 369254534 /nfs/dbraw/zinc/25/45/34/369254534.db2.gz PHVCVUWOKPYRFU-CYBMUJFWSA-N 2 1 298.381 2.442 20 0 CEADMP CCCn1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000349183400 369259885 /nfs/dbraw/zinc/25/98/85/369259885.db2.gz HALKQMHPILHWSE-KRWDZBQOSA-N 2 1 290.455 2.457 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCC1)CC[C@H]1CCOC1 ZINC000349383297 369315935 /nfs/dbraw/zinc/31/59/35/369315935.db2.gz LGZUTLODBBICNY-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@H](O)C[NH+](C)C ZINC000349790017 369402146 /nfs/dbraw/zinc/40/21/46/369402146.db2.gz NBKKSDRKILTTEJ-GOEBONIOSA-N 2 1 276.424 2.193 20 0 CEADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@@H](O)C[NH+](C)C ZINC000349790016 369402504 /nfs/dbraw/zinc/40/25/04/369402504.db2.gz NBKKSDRKILTTEJ-GDBMZVCRSA-N 2 1 276.424 2.193 20 0 CEADMP COc1cccc(COCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000358225747 370959753 /nfs/dbraw/zinc/95/97/53/370959753.db2.gz MGCIWPKXBMDYSM-GDBMZVCRSA-N 2 1 292.423 2.284 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000349964927 369468368 /nfs/dbraw/zinc/46/83/68/369468368.db2.gz FATBYFZCDIFUKC-VNQPRFMTSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000349964927 369468377 /nfs/dbraw/zinc/46/83/77/369468377.db2.gz FATBYFZCDIFUKC-VNQPRFMTSA-N 2 1 266.429 2.123 20 0 CEADMP COCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000246505318 370971099 /nfs/dbraw/zinc/97/10/99/370971099.db2.gz SUWXZDTYJAWSRB-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP CCc1ccc([C@@H](CC)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358248844 370972062 /nfs/dbraw/zinc/97/20/62/370972062.db2.gz JJOQKKCSMRLNQY-IAGOWNOFSA-N 2 1 276.424 2.356 20 0 CEADMP CCc1ccc([C@@H](CC)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358248844 370972065 /nfs/dbraw/zinc/97/20/65/370972065.db2.gz JJOQKKCSMRLNQY-IAGOWNOFSA-N 2 1 276.424 2.356 20 0 CEADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358251430 370972379 /nfs/dbraw/zinc/97/23/79/370972379.db2.gz MFGUWPWISJQDRM-RHSMWYFYSA-N 2 1 292.423 2.193 20 0 CEADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358251430 370972384 /nfs/dbraw/zinc/97/23/84/370972384.db2.gz MFGUWPWISJQDRM-RHSMWYFYSA-N 2 1 292.423 2.193 20 0 CEADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000358251668 370973456 /nfs/dbraw/zinc/97/34/56/370973456.db2.gz MRVRMALHQOBYQH-HUUCEWRRSA-N 2 1 282.815 2.447 20 0 CEADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000358251668 370973458 /nfs/dbraw/zinc/97/34/58/370973458.db2.gz MRVRMALHQOBYQH-HUUCEWRRSA-N 2 1 282.815 2.447 20 0 CEADMP CCC(O)(CC)CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000276220546 193246357 /nfs/dbraw/zinc/24/63/57/193246357.db2.gz LUTVVONUVGLYHW-UHFFFAOYSA-N 2 1 265.401 2.178 20 0 CEADMP C[N@@H+](CC(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1)CC(C)(C)C ZINC000636156013 369538288 /nfs/dbraw/zinc/53/82/88/369538288.db2.gz HHRBCHIDOIFELR-CQSZACIVSA-N 2 1 297.487 2.201 20 0 CEADMP C[NH+](CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)CC(C)(C)C ZINC000636156013 369538290 /nfs/dbraw/zinc/53/82/90/369538290.db2.gz HHRBCHIDOIFELR-CQSZACIVSA-N 2 1 297.487 2.201 20 0 CEADMP C[NH+](CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)CC(C)(C)C ZINC000636156013 369538293 /nfs/dbraw/zinc/53/82/93/369538293.db2.gz HHRBCHIDOIFELR-CQSZACIVSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H]([C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC000358261804 370980412 /nfs/dbraw/zinc/98/04/12/370980412.db2.gz WNORDOLUIBDIRG-OFQRWUPVSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]([C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC000358261804 370980414 /nfs/dbraw/zinc/98/04/14/370980414.db2.gz WNORDOLUIBDIRG-OFQRWUPVSA-N 2 1 268.445 2.248 20 0 CEADMP CN(C[C@H](O)C[N@H+]1CCC[C@]2(CC=CCC2)C1)C1CC1 ZINC000351519222 369639336 /nfs/dbraw/zinc/63/93/36/369639336.db2.gz OEDOJZZIAFEFHV-DLBZAZTESA-N 2 1 278.440 2.264 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@]2(CC=CCC2)C1)C1CC1 ZINC000351519222 369639339 /nfs/dbraw/zinc/63/93/39/369639339.db2.gz OEDOJZZIAFEFHV-DLBZAZTESA-N 2 1 278.440 2.264 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@]2(CC=CCC2)C1)C1CC1 ZINC000351519222 369639347 /nfs/dbraw/zinc/63/93/47/369639347.db2.gz OEDOJZZIAFEFHV-DLBZAZTESA-N 2 1 278.440 2.264 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@]2(CC=CCC2)C1)C1CC1 ZINC000351519222 369639352 /nfs/dbraw/zinc/63/93/52/369639352.db2.gz OEDOJZZIAFEFHV-DLBZAZTESA-N 2 1 278.440 2.264 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@]2(CC=CCC2)C1)C1CC1 ZINC000351519222 369639359 /nfs/dbraw/zinc/63/93/59/369639359.db2.gz OEDOJZZIAFEFHV-DLBZAZTESA-N 2 1 278.440 2.264 20 0 CEADMP CC(C)C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351546730 369640203 /nfs/dbraw/zinc/64/02/03/369640203.db2.gz ZJZBHARFOIKMME-GOEBONIOSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351546730 369640205 /nfs/dbraw/zinc/64/02/05/369640205.db2.gz ZJZBHARFOIKMME-GOEBONIOSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)C[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351546730 369640209 /nfs/dbraw/zinc/64/02/09/369640209.db2.gz ZJZBHARFOIKMME-GOEBONIOSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351546730 369640210 /nfs/dbraw/zinc/64/02/10/369640210.db2.gz ZJZBHARFOIKMME-GOEBONIOSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC000352015900 369659454 /nfs/dbraw/zinc/65/94/54/369659454.db2.gz SXCKGUBTXJZUBW-UONOGXRCSA-N 2 1 260.397 2.167 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])ccc1-n1cncn1 ZINC000352526904 369774265 /nfs/dbraw/zinc/77/42/65/369774265.db2.gz TWGWQYAOQSAHOR-MRXNPFEDSA-N 2 1 299.422 2.279 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccnn1C ZINC000192245204 369784143 /nfs/dbraw/zinc/78/41/43/369784143.db2.gz BFALTZCBVIRZFJ-KBPBESRZSA-N 2 1 264.417 2.335 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccnn1C ZINC000192245204 369784147 /nfs/dbraw/zinc/78/41/47/369784147.db2.gz BFALTZCBVIRZFJ-KBPBESRZSA-N 2 1 264.417 2.335 20 0 CEADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccnn1C ZINC000192246778 369785192 /nfs/dbraw/zinc/78/51/92/369785192.db2.gz HZNCKHFSRCQSSB-LLVKDONJSA-N 2 1 264.417 2.380 20 0 CEADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352744182 369865311 /nfs/dbraw/zinc/86/53/11/369865311.db2.gz YYKOWXRJPMVRRG-GXTWGEPZSA-N 2 1 297.468 2.498 20 0 CEADMP COC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000287295027 376199232 /nfs/dbraw/zinc/19/92/32/376199232.db2.gz DJTXUTHHXUEFCR-OCCSQVGLSA-N 2 1 291.395 2.437 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1Cc3ccccc3C1)C2 ZINC000193288434 369918330 /nfs/dbraw/zinc/91/83/30/369918330.db2.gz JCRBXWFYNLZYOT-ALOPSCKCSA-N 2 1 256.393 2.369 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193293522 369919961 /nfs/dbraw/zinc/91/99/61/369919961.db2.gz VFTOPFGNDNKKFH-INIZCTEOSA-N 2 1 288.435 2.486 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC[C@@H](C)[NH3+])c2C1 ZINC000193307630 369922870 /nfs/dbraw/zinc/92/28/70/369922870.db2.gz IALVUOAGWXEBBH-GFCCVEGCSA-N 2 1 275.396 2.478 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)CC[C@@H](C)[NH3+])c2C1 ZINC000193307630 369922874 /nfs/dbraw/zinc/92/28/74/369922874.db2.gz IALVUOAGWXEBBH-GFCCVEGCSA-N 2 1 275.396 2.478 20 0 CEADMP C[N@H+](CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C1CCCC1 ZINC000194030446 369999625 /nfs/dbraw/zinc/99/96/25/369999625.db2.gz QOOAAWKMHNXDIV-BZUAXINKSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@@H+](CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C1CCCC1 ZINC000194030446 369999631 /nfs/dbraw/zinc/99/96/31/369999631.db2.gz QOOAAWKMHNXDIV-BZUAXINKSA-N 2 1 278.440 2.408 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000193807605 369982828 /nfs/dbraw/zinc/98/28/28/369982828.db2.gz GFVSUTXYHOJWQD-CHWSQXEVSA-N 2 1 254.443 2.489 20 0 CEADMP CCC1(C[NH2+][C@H]2CCc3[nH]cnc3C2)CCOCC1 ZINC000353213522 370075123 /nfs/dbraw/zinc/07/51/23/370075123.db2.gz APORTPMOWKTBRG-LBPRGKRZSA-N 2 1 263.385 2.063 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353497538 370114773 /nfs/dbraw/zinc/11/47/73/370114773.db2.gz PDBUXILPZJOPEK-JJXSEGSLSA-N 2 1 267.461 2.179 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353497538 370114776 /nfs/dbraw/zinc/11/47/76/370114776.db2.gz PDBUXILPZJOPEK-JJXSEGSLSA-N 2 1 267.461 2.179 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353497538 370114778 /nfs/dbraw/zinc/11/47/78/370114778.db2.gz PDBUXILPZJOPEK-JJXSEGSLSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccc(OCCN2CCOCC2)cc1 ZINC000637837154 370105344 /nfs/dbraw/zinc/10/53/44/370105344.db2.gz AILDOTYKCXGSMN-UHFFFAOYSA-N 2 1 292.423 2.238 20 0 CEADMP CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)[NH+]1CCCC1 ZINC000353434501 370112554 /nfs/dbraw/zinc/11/25/54/370112554.db2.gz JLGIJVQMVIJSEK-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000353164977 370049179 /nfs/dbraw/zinc/04/91/79/370049179.db2.gz RNMSOJMTNOKQRO-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[NH+]1CCCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000353164977 370049184 /nfs/dbraw/zinc/04/91/84/370049184.db2.gz RNMSOJMTNOKQRO-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[NH+]1CCCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000353164977 370049189 /nfs/dbraw/zinc/04/91/89/370049189.db2.gz RNMSOJMTNOKQRO-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000637857928 370126057 /nfs/dbraw/zinc/12/60/57/370126057.db2.gz VFVNJRNFHATSAH-FZMZJTMJSA-N 2 1 261.369 2.129 20 0 CEADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000637857928 370126062 /nfs/dbraw/zinc/12/60/62/370126062.db2.gz VFVNJRNFHATSAH-FZMZJTMJSA-N 2 1 261.369 2.129 20 0 CEADMP C[NH+](C)CC1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000354086833 370211216 /nfs/dbraw/zinc/21/12/16/370211216.db2.gz UOWWJLASNUIXHH-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP O[C@]12CCCC[C@@H]1C[N@@H+](CCC[NH+]1CCCC1)CC2 ZINC000220412403 370232250 /nfs/dbraw/zinc/23/22/50/370232250.db2.gz BCHKZDXJMJBMQX-CVEARBPZSA-N 2 1 266.429 2.099 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000354080607 370207986 /nfs/dbraw/zinc/20/79/86/370207986.db2.gz BIWBZNQRFUZRNP-HNNXBMFYSA-N 2 1 266.385 2.212 20 0 CEADMP Cc1cc(C[NH3+])oc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000638070716 370280245 /nfs/dbraw/zinc/28/02/45/370280245.db2.gz VNLUJIHTOXOISM-UHFFFAOYSA-N 2 1 293.411 2.041 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000227900336 370389442 /nfs/dbraw/zinc/38/94/42/370389442.db2.gz MSSHMEFQQGOSEH-FJBKBRRZSA-N 2 1 294.439 2.325 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000227900336 370389443 /nfs/dbraw/zinc/38/94/43/370389443.db2.gz MSSHMEFQQGOSEH-FJBKBRRZSA-N 2 1 294.439 2.325 20 0 CEADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000638303785 370434351 /nfs/dbraw/zinc/43/43/51/370434351.db2.gz VLCIJBORMHTEGP-BZUAXINKSA-N 2 1 295.471 2.288 20 0 CEADMP C[NH+](C)C1(C[NH2+]CCC[C@@H]2CCO2)CCCCC1 ZINC000638282046 370419287 /nfs/dbraw/zinc/41/92/87/370419287.db2.gz XJFMSUZQYXAJHV-CQSZACIVSA-N 2 1 254.418 2.410 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccns1 ZINC000638335045 370453085 /nfs/dbraw/zinc/45/30/85/370453085.db2.gz IUPHKXOXSOQPPS-SNVBAGLBSA-N 2 1 250.371 2.074 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(F)c1N ZINC000638336110 370453386 /nfs/dbraw/zinc/45/33/86/370453386.db2.gz YFNCESHTZQCUJG-NSHDSACASA-N 2 1 276.359 2.339 20 0 CEADMP C[C@@H](C[NH2+]C1CC(n2cccn2)C1)[N@@H+]1CCCC[C@H]1C ZINC000638360716 370470680 /nfs/dbraw/zinc/47/06/80/370470680.db2.gz KTMHRPNTTOOCBJ-QVOMUQBLSA-N 2 1 276.428 2.439 20 0 CEADMP C[C@@H](C[NH2+]C1CC(n2cccn2)C1)[N@H+]1CCCC[C@H]1C ZINC000638360716 370470684 /nfs/dbraw/zinc/47/06/84/370470684.db2.gz KTMHRPNTTOOCBJ-QVOMUQBLSA-N 2 1 276.428 2.439 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC000638365004 370475789 /nfs/dbraw/zinc/47/57/89/370475789.db2.gz VKGXIUOSZFPIHC-UHFFFAOYSA-N 2 1 286.379 2.412 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccnc(OC)c2)C1 ZINC000638451768 370540467 /nfs/dbraw/zinc/54/04/67/370540467.db2.gz QIRADCQIUOFEGA-GOEBONIOSA-N 2 1 291.439 2.343 20 0 CEADMP C([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCSCC1 ZINC000638557913 370604604 /nfs/dbraw/zinc/60/46/04/370604604.db2.gz LNVJAHPLPYXEQM-UHFFFAOYSA-N 2 1 298.496 2.364 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236754082 370620297 /nfs/dbraw/zinc/62/02/97/370620297.db2.gz FTUGSALJKWNIBS-GDBMZVCRSA-N 2 1 291.439 2.141 20 0 CEADMP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000236763559 370621523 /nfs/dbraw/zinc/62/15/23/370621523.db2.gz ZXUKWKRFYLGIGP-INIZCTEOSA-N 2 1 291.439 2.126 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000356279842 370639905 /nfs/dbraw/zinc/63/99/05/370639905.db2.gz JVXNGJCQLKSEPX-RHSMWYFYSA-N 2 1 291.439 2.136 20 0 CEADMP CCC[C@H]([NH3+])C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236859762 370641083 /nfs/dbraw/zinc/64/10/83/370641083.db2.gz CKJJYXTULVIQIN-HOCLYGCPSA-N 2 1 291.439 2.141 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](COC)Cc2ccccc2)C1 ZINC000247021391 371049096 /nfs/dbraw/zinc/04/90/96/371049096.db2.gz LTLQJPLDVGCIHV-DLBZAZTESA-N 2 1 276.424 2.176 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cscn2)[C@@H](C)C1 ZINC000246764288 371005563 /nfs/dbraw/zinc/00/55/63/371005563.db2.gz HUWVYQBSRHOCSV-WCQYABFASA-N 2 1 253.415 2.006 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000358349376 371028288 /nfs/dbraw/zinc/02/82/88/371028288.db2.gz XSQZNWKUYRYGFC-ZNMIVQPWSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000358349376 371028292 /nfs/dbraw/zinc/02/82/92/371028292.db2.gz XSQZNWKUYRYGFC-ZNMIVQPWSA-N 2 1 254.418 2.264 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC000358354241 371031240 /nfs/dbraw/zinc/03/12/40/371031240.db2.gz PJFBXTXTLUWGLR-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000358354241 371031242 /nfs/dbraw/zinc/03/12/42/371031242.db2.gz PJFBXTXTLUWGLR-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000358354241 371031246 /nfs/dbraw/zinc/03/12/46/371031246.db2.gz PJFBXTXTLUWGLR-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)[C@]12CCCO2 ZINC000639169745 371041886 /nfs/dbraw/zinc/04/18/86/371041886.db2.gz JJGJHUNXXCYQMP-YYIAUSFCSA-N 2 1 296.455 2.033 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000639169865 371042492 /nfs/dbraw/zinc/04/24/92/371042492.db2.gz LWLOACKXLGTVDW-KKUMJFAQSA-N 2 1 254.418 2.264 20 0 CEADMP CC(=O)Nc1cccc([C@H](C)N[C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000358411497 371054931 /nfs/dbraw/zinc/05/49/31/371054931.db2.gz ZASFKYCWUIYPMC-MKBNYLNASA-N 2 1 275.396 2.246 20 0 CEADMP CC(=O)Nc1cccc([C@H](C)N[C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000358411497 371054936 /nfs/dbraw/zinc/05/49/36/371054936.db2.gz ZASFKYCWUIYPMC-MKBNYLNASA-N 2 1 275.396 2.246 20 0 CEADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cs1 ZINC000247132468 371070088 /nfs/dbraw/zinc/07/00/88/371070088.db2.gz VPINECGXFGUJMJ-NWDGAFQWSA-N 2 1 267.442 2.320 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)C(C)C ZINC000358500145 371093184 /nfs/dbraw/zinc/09/31/84/371093184.db2.gz PCUCFVJQCZUVIU-HNNXBMFYSA-N 2 1 295.471 2.096 20 0 CEADMP CO[C@](C)(C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C1CC1 ZINC000639207321 371095383 /nfs/dbraw/zinc/09/53/83/371095383.db2.gz GYBHUALTTZHNOO-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@](C)(C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C1CC1 ZINC000639207321 371095389 /nfs/dbraw/zinc/09/53/89/371095389.db2.gz GYBHUALTTZHNOO-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@](C)(C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C1CC1 ZINC000639207321 371095393 /nfs/dbraw/zinc/09/53/93/371095393.db2.gz GYBHUALTTZHNOO-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000247520221 371119592 /nfs/dbraw/zinc/11/95/92/371119592.db2.gz WJCPUUNKIFPNGW-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248539392 371207855 /nfs/dbraw/zinc/20/78/55/371207855.db2.gz ARHMDJWVZVNECF-OAGGEKHMSA-N 2 1 267.461 2.323 20 0 CEADMP OCCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248655965 371231890 /nfs/dbraw/zinc/23/18/90/371231890.db2.gz CEVDKSRVUIVCOU-RCCFBDPRSA-N 2 1 288.435 2.259 20 0 CEADMP CCC1([NH+](C)C)CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000639379594 371290322 /nfs/dbraw/zinc/29/03/22/371290322.db2.gz ZBEQHOCLEPRYJT-UHFFFAOYSA-N 2 1 276.428 2.136 20 0 CEADMP CC[NH2+][C@H](C)CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000358911996 371263774 /nfs/dbraw/zinc/26/37/74/371263774.db2.gz FCMADAXAVQAEBJ-RISCZKNCSA-N 2 1 297.830 2.057 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000248959729 371275144 /nfs/dbraw/zinc/27/51/44/371275144.db2.gz PKDZEJDMFUZVEI-TZMCWYRMSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000248959729 371275152 /nfs/dbraw/zinc/27/51/52/371275152.db2.gz PKDZEJDMFUZVEI-TZMCWYRMSA-N 2 1 251.374 2.081 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000249135040 371300554 /nfs/dbraw/zinc/30/05/54/371300554.db2.gz YPDRCBBGPHMXFB-KGLIPLIRSA-N 2 1 291.439 2.126 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249270163 371307447 /nfs/dbraw/zinc/30/74/47/371307447.db2.gz ARFLBVBTCYCJQC-GDBMZVCRSA-N 2 1 291.439 2.136 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCO3)C1 ZINC000249373086 371316986 /nfs/dbraw/zinc/31/69/86/371316986.db2.gz FEAYZQUOHJWNJR-OLZOCXBDSA-N 2 1 276.380 2.408 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCc2ccccc2C)[C@@H](CN)C1 ZINC000359052924 371318845 /nfs/dbraw/zinc/31/88/45/371318845.db2.gz HFIZQRIEHNLCIA-IAGOWNOFSA-N 2 1 276.424 2.366 20 0 CEADMP CO[C@@H]1CC[N@H+](CCCc2ccccc2C)[C@@H](C[NH3+])C1 ZINC000359052924 371318851 /nfs/dbraw/zinc/31/88/51/371318851.db2.gz HFIZQRIEHNLCIA-IAGOWNOFSA-N 2 1 276.424 2.366 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCc2ccccc2C)[C@@H](C[NH3+])C1 ZINC000359052924 371318855 /nfs/dbraw/zinc/31/88/55/371318855.db2.gz HFIZQRIEHNLCIA-IAGOWNOFSA-N 2 1 276.424 2.366 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C[C@H]1CCCOC1 ZINC000359152663 371355433 /nfs/dbraw/zinc/35/54/33/371355433.db2.gz JVOAYYCLYRIWLV-LSDHHAIUSA-N 2 1 254.418 2.267 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639506235 371369060 /nfs/dbraw/zinc/36/90/60/371369060.db2.gz JGSVBXZACRBBTN-GJZGRUSLSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000639504997 371368833 /nfs/dbraw/zinc/36/88/33/371368833.db2.gz PGARCVCTLANILD-ILXRZTDVSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639506235 371369067 /nfs/dbraw/zinc/36/90/67/371369067.db2.gz JGSVBXZACRBBTN-GJZGRUSLSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639506235 371369073 /nfs/dbraw/zinc/36/90/73/371369073.db2.gz JGSVBXZACRBBTN-GJZGRUSLSA-N 2 1 268.445 2.465 20 0 CEADMP O=C(NCc1cnc[nH]1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000359123308 371346727 /nfs/dbraw/zinc/34/67/27/371346727.db2.gz HVYGGMLCETZJGF-UHFFFAOYSA-N 2 1 298.390 2.326 20 0 CEADMP CC(C)[NH+](CCN[C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000250529580 371386727 /nfs/dbraw/zinc/38/67/27/371386727.db2.gz WLYVDTKVYZIZHR-HOTGVXAUSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000251870272 371420211 /nfs/dbraw/zinc/42/02/11/371420211.db2.gz TZEXWRJGETZXRF-BXUZGUMPSA-N 2 1 295.814 2.338 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251202485 371398676 /nfs/dbraw/zinc/39/86/76/371398676.db2.gz KZGHOUWTTNFZGF-RBSFLKMASA-N 3 1 255.450 2.227 20 0 CEADMP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N(C)C ZINC000251376427 371400720 /nfs/dbraw/zinc/40/07/20/371400720.db2.gz GXEBZIXNJNTQMH-QBPKDAKJSA-N 2 1 281.488 2.473 20 0 CEADMP Cn1ccnc1[C@H]1CC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639564902 371409237 /nfs/dbraw/zinc/40/92/37/371409237.db2.gz GTRVAWOJNSBIDH-LBPRGKRZSA-N 2 1 287.367 2.060 20 0 CEADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639564902 371409243 /nfs/dbraw/zinc/40/92/43/371409243.db2.gz GTRVAWOJNSBIDH-LBPRGKRZSA-N 2 1 287.367 2.060 20 0 CEADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C[C@H]1CCO[C@H]1C)CC2 ZINC000639508819 371370752 /nfs/dbraw/zinc/37/07/52/371370752.db2.gz OOCZGIRFBDSALT-JJXSEGSLSA-N 2 1 266.429 2.359 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000639508248 371371373 /nfs/dbraw/zinc/37/13/73/371371373.db2.gz UTCVSYQQABTTHR-ILXRZTDVSA-N 2 1 254.418 2.075 20 0 CEADMP COC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249937035 371372113 /nfs/dbraw/zinc/37/21/13/371372113.db2.gz SIDCLVQAMPGJLW-IJEWVQPXSA-N 2 1 266.429 2.218 20 0 CEADMP COC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249937035 371372117 /nfs/dbraw/zinc/37/21/17/371372117.db2.gz SIDCLVQAMPGJLW-IJEWVQPXSA-N 2 1 266.429 2.218 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000252440154 371437610 /nfs/dbraw/zinc/43/76/10/371437610.db2.gz XPFQQSTUGPOIHR-YOEHRIQHSA-N 2 1 258.409 2.475 20 0 CEADMP CC1(C)Cc2cc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)ccc2O1 ZINC000359458063 371463189 /nfs/dbraw/zinc/46/31/89/371463189.db2.gz KQEGRQDGVGAYSS-GJZGRUSLSA-N 2 1 272.392 2.051 20 0 CEADMP Clc1cccc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252667247 371465535 /nfs/dbraw/zinc/46/55/35/371465535.db2.gz HKMWBXVDLPLTKR-LSDHHAIUSA-N 2 1 280.799 2.293 20 0 CEADMP Clc1cccc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000252667247 371465537 /nfs/dbraw/zinc/46/55/37/371465537.db2.gz HKMWBXVDLPLTKR-LSDHHAIUSA-N 2 1 280.799 2.293 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C12CCC2 ZINC000252714076 371472499 /nfs/dbraw/zinc/47/24/99/371472499.db2.gz QYRJQWGBMMERRN-APIJFGDWSA-N 2 1 266.429 2.264 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C12CCC2 ZINC000252714076 371472502 /nfs/dbraw/zinc/47/25/02/371472502.db2.gz QYRJQWGBMMERRN-APIJFGDWSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1cccnc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639702905 371506491 /nfs/dbraw/zinc/50/64/91/371506491.db2.gz GQAUNALBRJBQBX-UHFFFAOYSA-N 2 1 282.391 2.497 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C)[C@H](C(C)(C)C)C1 ZINC000639747184 371538744 /nfs/dbraw/zinc/53/87/44/371538744.db2.gz QYQRKNVJKOTGNV-CABCVRRESA-N 2 1 267.461 2.133 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000639747184 371538749 /nfs/dbraw/zinc/53/87/49/371538749.db2.gz QYQRKNVJKOTGNV-CABCVRRESA-N 2 1 267.461 2.133 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000639747184 371538756 /nfs/dbraw/zinc/53/87/56/371538756.db2.gz QYQRKNVJKOTGNV-CABCVRRESA-N 2 1 267.461 2.133 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C)[C@H](C(C)(C)C)C1 ZINC000639747185 371539067 /nfs/dbraw/zinc/53/90/67/371539067.db2.gz QYQRKNVJKOTGNV-GJZGRUSLSA-N 2 1 267.461 2.133 20 0 CEADMP C[NH+]1CCC[C@H]1CCN1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000639747185 371539070 /nfs/dbraw/zinc/53/90/70/371539070.db2.gz QYQRKNVJKOTGNV-GJZGRUSLSA-N 2 1 267.461 2.133 20 0 CEADMP C[NH+]1CCC[C@H]1CCN1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000639747185 371539072 /nfs/dbraw/zinc/53/90/72/371539072.db2.gz QYQRKNVJKOTGNV-GJZGRUSLSA-N 2 1 267.461 2.133 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)C3CCCCC3)C2)CC1 ZINC000639754478 371545279 /nfs/dbraw/zinc/54/52/79/371545279.db2.gz APNWDEBTCREHON-INIZCTEOSA-N 2 1 280.456 2.345 20 0 CEADMP Cc1cccnc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755873 371546847 /nfs/dbraw/zinc/54/68/47/371546847.db2.gz PVMITHGBJYSYDI-UHFFFAOYSA-N 2 1 259.397 2.308 20 0 CEADMP c1nc(CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000639684199 371493852 /nfs/dbraw/zinc/49/38/52/371493852.db2.gz TZNXXKMQIKQSHI-UHFFFAOYSA-N 2 1 288.420 2.293 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000360987471 371584002 /nfs/dbraw/zinc/58/40/02/371584002.db2.gz PZDIBTNHCUMQLB-GVDBMIGSSA-N 2 1 298.471 2.140 20 0 CEADMP Cc1nc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cs1 ZINC000360994224 371586389 /nfs/dbraw/zinc/58/63/89/371586389.db2.gz DKEZACOXORJXDJ-ZDUSSCGKSA-N 2 1 296.484 2.130 20 0 CEADMP c1ccc(SCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261589793 371666470 /nfs/dbraw/zinc/66/64/70/371666470.db2.gz WMZQLJPVFVMROZ-HNNXBMFYSA-N 2 1 262.422 2.464 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000261608326 371675435 /nfs/dbraw/zinc/67/54/35/371675435.db2.gz DJLIOBPXPIZABE-DZGCQCFKSA-N 2 1 290.407 2.054 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000261608326 371675445 /nfs/dbraw/zinc/67/54/45/371675445.db2.gz DJLIOBPXPIZABE-DZGCQCFKSA-N 2 1 290.407 2.054 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000261612636 371679546 /nfs/dbraw/zinc/67/95/46/371679546.db2.gz BJMYVPXFGMKLAR-INIZCTEOSA-N 2 1 270.380 2.247 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000261612636 371679558 /nfs/dbraw/zinc/67/95/58/371679558.db2.gz BJMYVPXFGMKLAR-INIZCTEOSA-N 2 1 270.380 2.247 20 0 CEADMP Clc1ccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261583958 371661980 /nfs/dbraw/zinc/66/19/80/371661980.db2.gz HOQJHUYNRREWAO-CHWSQXEVSA-N 2 1 280.799 2.260 20 0 CEADMP Clc1ccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261583958 371661987 /nfs/dbraw/zinc/66/19/87/371661987.db2.gz HOQJHUYNRREWAO-CHWSQXEVSA-N 2 1 280.799 2.260 20 0 CEADMP CC1([NH+]2CCCC2)CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639984361 371712951 /nfs/dbraw/zinc/71/29/51/371712951.db2.gz UECUYYRZOQGODX-UHFFFAOYSA-N 2 1 275.396 2.238 20 0 CEADMP FC(F)Oc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261734530 371714198 /nfs/dbraw/zinc/71/41/98/371714198.db2.gz LLKRRUVZAJDTKN-OLZOCXBDSA-N 2 1 282.334 2.329 20 0 CEADMP FC(F)Oc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261734530 371714201 /nfs/dbraw/zinc/71/42/01/371714201.db2.gz LLKRRUVZAJDTKN-OLZOCXBDSA-N 2 1 282.334 2.329 20 0 CEADMP Cc1cccc(OCC[N@H+](C)C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261749373 371719620 /nfs/dbraw/zinc/71/96/20/371719620.db2.gz JMXPZQMPNGILIS-INIZCTEOSA-N 2 1 262.397 2.305 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000361230006 371727831 /nfs/dbraw/zinc/72/78/31/371727831.db2.gz CXQODMCZGKNIHU-OAGGEKHMSA-N 2 1 296.842 2.488 20 0 CEADMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000261646529 371690621 /nfs/dbraw/zinc/69/06/21/371690621.db2.gz OYQKPRPRVUUDLC-MWQQHZPXSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N(C)C1CC1 ZINC000261646529 371690623 /nfs/dbraw/zinc/69/06/23/371690623.db2.gz OYQKPRPRVUUDLC-MWQQHZPXSA-N 2 1 279.472 2.370 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261648073 371691655 /nfs/dbraw/zinc/69/16/55/371691655.db2.gz CYRXQALBOMNRAQ-QGZVFWFLSA-N 2 1 274.408 2.368 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261648073 371691662 /nfs/dbraw/zinc/69/16/62/371691662.db2.gz CYRXQALBOMNRAQ-QGZVFWFLSA-N 2 1 274.408 2.368 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000361170222 371696368 /nfs/dbraw/zinc/69/63/68/371696368.db2.gz XXJMXEIJZJHJAZ-KGLIPLIRSA-N 2 1 299.422 2.100 20 0 CEADMP CCC[C@H](C)[C@H](CC)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361184618 371702755 /nfs/dbraw/zinc/70/27/55/371702755.db2.gz ULEAVDPORSYUTP-XHSDSOJGSA-N 2 1 297.487 2.378 20 0 CEADMP c1cnc2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2c1 ZINC000261870410 371754981 /nfs/dbraw/zinc/75/49/81/371754981.db2.gz YVTAKWKQWCJUIN-QGZVFWFLSA-N 2 1 267.376 2.420 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H](C)[NH3+])cc1 ZINC000261890445 371762808 /nfs/dbraw/zinc/76/28/08/371762808.db2.gz TUWLGWBEGYHDQM-RYUDHWBXSA-N 2 1 286.379 2.095 20 0 CEADMP C[C@]1(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]C1 ZINC000261897143 371764197 /nfs/dbraw/zinc/76/41/97/371764197.db2.gz VDSLOUUVSXFDDE-OTWHNJEPSA-N 2 1 299.462 2.050 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CCC(C)C)C1 ZINC000361300383 371768441 /nfs/dbraw/zinc/76/84/41/371768441.db2.gz KXIYSZGUGJBZOJ-CVEARBPZSA-N 2 1 270.461 2.447 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CCC(C)C)C1 ZINC000361300383 371768446 /nfs/dbraw/zinc/76/84/46/371768446.db2.gz KXIYSZGUGJBZOJ-CVEARBPZSA-N 2 1 270.461 2.447 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CCC(C)C)C1 ZINC000361300383 371768449 /nfs/dbraw/zinc/76/84/49/371768449.db2.gz KXIYSZGUGJBZOJ-CVEARBPZSA-N 2 1 270.461 2.447 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)CCC(C)C)[C@H](C)C1 ZINC000361321670 371780005 /nfs/dbraw/zinc/78/00/05/371780005.db2.gz PLCFCBQXXKTKDP-PMPSAXMXSA-N 2 1 270.461 2.446 20 0 CEADMP CC[C@H]1CN(CC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000261976550 371788332 /nfs/dbraw/zinc/78/83/32/371788332.db2.gz QWEJFTGIDCQBHM-INIZCTEOSA-N 2 1 275.440 2.320 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000261997020 371795588 /nfs/dbraw/zinc/79/55/88/371795588.db2.gz SYAZDZWUKORANZ-MWLCHTKSSA-N 2 1 251.399 2.190 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000262002247 371797544 /nfs/dbraw/zinc/79/75/44/371797544.db2.gz UEIVVECOCIKBGU-STQMWFEESA-N 2 1 288.370 2.181 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000262002247 371797550 /nfs/dbraw/zinc/79/75/50/371797550.db2.gz UEIVVECOCIKBGU-STQMWFEESA-N 2 1 288.370 2.181 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000361387536 371822947 /nfs/dbraw/zinc/82/29/47/371822947.db2.gz YOLSGTLHWIKNEB-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262384471 371857433 /nfs/dbraw/zinc/85/74/33/371857433.db2.gz LWLCSGHNQYMYQX-ILXRZTDVSA-N 2 1 295.471 2.001 20 0 CEADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000361478797 371867104 /nfs/dbraw/zinc/86/71/04/371867104.db2.gz OYNFUQBOKGISPB-KFWWJZLASA-N 2 1 291.464 2.410 20 0 CEADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361478797 371867108 /nfs/dbraw/zinc/86/71/08/371867108.db2.gz OYNFUQBOKGISPB-KFWWJZLASA-N 2 1 291.464 2.410 20 0 CEADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361478797 371867113 /nfs/dbraw/zinc/86/71/13/371867113.db2.gz OYNFUQBOKGISPB-KFWWJZLASA-N 2 1 291.464 2.410 20 0 CEADMP C[NH+]1CCC([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000361674173 372018216 /nfs/dbraw/zinc/01/82/16/372018216.db2.gz PAEHKRVNGMYQGF-UHFFFAOYSA-N 2 1 274.408 2.418 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCOC1 ZINC000640530740 372021436 /nfs/dbraw/zinc/02/14/36/372021436.db2.gz HPQAMNRZOARQQJ-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP Cn1cncc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533827 372024806 /nfs/dbraw/zinc/02/48/06/372024806.db2.gz WTFMXXGCQHMMMX-UHFFFAOYSA-N 2 1 264.417 2.118 20 0 CEADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)CCC2 ZINC000361663313 372013791 /nfs/dbraw/zinc/01/37/91/372013791.db2.gz TXISOJDNOUURSI-QCEMKRCNSA-N 2 1 290.455 2.387 20 0 CEADMP CC[NH+]1[C@H](C)CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1C ZINC000640608688 372063716 /nfs/dbraw/zinc/06/37/16/372063716.db2.gz ZTRRCMGNMGDLGP-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1[C@H](C)CN(C(=O)CC[C@H]2CCCC[N@H+]2C)C[C@@H]1C ZINC000640608688 372063724 /nfs/dbraw/zinc/06/37/24/372063724.db2.gz ZTRRCMGNMGDLGP-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000344197974 217094995 /nfs/dbraw/zinc/09/49/95/217094995.db2.gz HDNFZDBAIZJYAH-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344197974 217094996 /nfs/dbraw/zinc/09/49/96/217094996.db2.gz HDNFZDBAIZJYAH-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344197974 217094997 /nfs/dbraw/zinc/09/49/97/217094997.db2.gz HDNFZDBAIZJYAH-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000361804385 372079362 /nfs/dbraw/zinc/07/93/62/372079362.db2.gz MWRVACHUWIZKDJ-RBSFLKMASA-N 2 1 268.445 2.248 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CN(C)C[C@H]2C)c1 ZINC000344208304 217098136 /nfs/dbraw/zinc/09/81/36/217098136.db2.gz GMRCSOCFSDSNMY-RHSMWYFYSA-N 2 1 275.440 2.178 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCO2)[C@@H](C)C1 ZINC000362010773 372170477 /nfs/dbraw/zinc/17/04/77/372170477.db2.gz DFZDMDISXAQJFZ-ULQDDVLXSA-N 2 1 298.471 2.282 20 0 CEADMP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)s1 ZINC000268815853 372238663 /nfs/dbraw/zinc/23/86/63/372238663.db2.gz FYNPPQJELJPQOZ-OLZOCXBDSA-N 2 1 282.453 2.418 20 0 CEADMP C[N@H+](CC1(C)CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000683840027 541869390 /nfs/dbraw/zinc/86/93/90/541869390.db2.gz LPKLJGWPMRJNON-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP C[N@@H+](CC1(C)CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000683840027 541869395 /nfs/dbraw/zinc/86/93/95/541869395.db2.gz LPKLJGWPMRJNON-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP C[NH+](CC1(C)CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000683840027 541869400 /nfs/dbraw/zinc/86/94/00/541869400.db2.gz LPKLJGWPMRJNON-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP C[NH+](CC1(C)CC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000683840027 541869404 /nfs/dbraw/zinc/86/94/04/541869404.db2.gz LPKLJGWPMRJNON-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[C@H](C)[NH3+])cc1 ZINC000269158252 372361471 /nfs/dbraw/zinc/36/14/71/372361471.db2.gz JELFPOALLJUFJL-AWEZNQCLSA-N 2 1 291.439 2.386 20 0 CEADMP Cc1cc(C)c(Cn2cc([C@@H]([NH3+])C(C)C)nn2)c(C)[nH+]1 ZINC000641187813 372380007 /nfs/dbraw/zinc/38/00/07/372380007.db2.gz SJTXGAIJLBNSGY-HNNXBMFYSA-N 2 1 273.384 2.302 20 0 CEADMP C[N@@H+](Cc1cn(CC2CC[NH2+]CC2)nn1)C1CCCCC1 ZINC000641232934 372400857 /nfs/dbraw/zinc/40/08/57/372400857.db2.gz LGSVZYCNINJTBA-UHFFFAOYSA-N 2 1 291.443 2.042 20 0 CEADMP Cc1ncc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cn1 ZINC000344348232 217162624 /nfs/dbraw/zinc/16/26/24/217162624.db2.gz IJJFITGAXAMYCG-CYBMUJFWSA-N 2 1 262.401 2.139 20 0 CEADMP CC[C@@](C)([NH3+])c1cn(C[C@@H]2CCCC[N@H+]2C(C)C)nn1 ZINC000641169895 372364764 /nfs/dbraw/zinc/36/47/64/372364764.db2.gz SHAAZBUJGAQWNB-DZGCQCFKSA-N 2 1 279.432 2.125 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1C[NH+](CC)C[C@H]1C ZINC000344412966 217185490 /nfs/dbraw/zinc/18/54/90/217185490.db2.gz UOKZHBFIRVCAPS-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1C[NH+](CC)C[C@H]1C ZINC000344412966 217185491 /nfs/dbraw/zinc/18/54/91/217185491.db2.gz UOKZHBFIRVCAPS-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000344412966 217185494 /nfs/dbraw/zinc/18/54/94/217185494.db2.gz UOKZHBFIRVCAPS-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000344412966 217185496 /nfs/dbraw/zinc/18/54/96/217185496.db2.gz UOKZHBFIRVCAPS-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1ccncc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000269621785 372508396 /nfs/dbraw/zinc/50/83/96/372508396.db2.gz NSXIABZFDGQMSM-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC000362759259 372514129 /nfs/dbraw/zinc/51/41/29/372514129.db2.gz LUKDNFKRZCKIGI-GASCZTMLSA-N 2 1 295.471 2.097 20 0 CEADMP C([C@@H]1CCOC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000363459624 372639416 /nfs/dbraw/zinc/63/94/16/372639416.db2.gz PDTZETYOXNSUFW-HOTGVXAUSA-N 2 1 266.429 2.221 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccncc1N ZINC000641708001 372644321 /nfs/dbraw/zinc/64/43/21/372644321.db2.gz UHCWQPJDKMVBIF-CQSZACIVSA-N 2 1 276.428 2.408 20 0 CEADMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1CCC[NH+]1CCCC1 ZINC000364060628 372656516 /nfs/dbraw/zinc/65/65/16/372656516.db2.gz WREIHRDVLVEOOP-HZPDHXFCSA-N 2 1 265.445 2.031 20 0 CEADMP O[C@]1(C[NH2+]Cc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000344522718 217221088 /nfs/dbraw/zinc/22/10/88/217221088.db2.gz HXBWSDMTNPHPCE-IBGZPJMESA-N 2 1 296.414 2.413 20 0 CEADMP O[C@]1(C[NH2+]Cc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344522718 217221091 /nfs/dbraw/zinc/22/10/91/217221091.db2.gz HXBWSDMTNPHPCE-IBGZPJMESA-N 2 1 296.414 2.413 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000573315666 299433932 /nfs/dbraw/zinc/43/39/32/299433932.db2.gz OQPCQHJGFHQAPV-VXGBXAGGSA-N 2 1 290.333 2.195 20 0 CEADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(OC)cc(C)[nH+]1 ZINC000270246076 372714720 /nfs/dbraw/zinc/71/47/20/372714720.db2.gz IFURYTZYHXSPSC-CVEARBPZSA-N 2 1 289.423 2.457 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(OC)cc(C)[nH+]1 ZINC000270246076 372714725 /nfs/dbraw/zinc/71/47/25/372714725.db2.gz IFURYTZYHXSPSC-CVEARBPZSA-N 2 1 289.423 2.457 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc(C)cc(C)c1 ZINC000641772339 372715216 /nfs/dbraw/zinc/71/52/16/372715216.db2.gz PEFWTFRXRJRTMI-KRWDZBQOSA-N 2 1 278.440 2.486 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nsc2ccccc21 ZINC000641799618 372740472 /nfs/dbraw/zinc/74/04/72/372740472.db2.gz YLEJLSKZJJNXSM-MNOVXSKESA-N 2 1 261.394 2.465 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nsc2ccccc21 ZINC000641799618 372740476 /nfs/dbraw/zinc/74/04/76/372740476.db2.gz YLEJLSKZJJNXSM-MNOVXSKESA-N 2 1 261.394 2.465 20 0 CEADMP CC1(C)[C@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)C[C@@H]1[NH3+] ZINC000641801907 372744229 /nfs/dbraw/zinc/74/42/29/372744229.db2.gz GPXGCCJMANCRPO-UONOGXRCSA-N 2 1 271.364 2.156 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1C ZINC000641802266 372745169 /nfs/dbraw/zinc/74/51/69/372745169.db2.gz IPADDIJFBPLLFF-NWANDNLSSA-N 2 1 289.423 2.346 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cn1 ZINC000641802805 372745882 /nfs/dbraw/zinc/74/58/82/372745882.db2.gz PFCKSDNDIAVZCF-MNOVXSKESA-N 2 1 273.302 2.316 20 0 CEADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2cccc3ccccc32)C[C@@H]1[NH3+] ZINC000641804033 372750647 /nfs/dbraw/zinc/75/06/47/372750647.db2.gz HHLRJXXLWDRQNX-JKSUJKDBSA-N 2 1 297.402 2.494 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H](C)C(C)(C)n1cncn1)[NH+]1CCCC1 ZINC000353410345 220068065 /nfs/dbraw/zinc/06/80/65/220068065.db2.gz HKIXISAOEAIRMI-LSDHHAIUSA-N 2 1 293.459 2.112 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641808172 372754628 /nfs/dbraw/zinc/75/46/28/372754628.db2.gz XJFOWDWAYZRDSP-UBHSHLNASA-N 2 1 275.396 2.037 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1c(F)cccc1F ZINC000641808951 372756131 /nfs/dbraw/zinc/75/61/31/372756131.db2.gz VCWGSSPUTNQWAL-UWJYBYFXSA-N 2 1 297.349 2.007 20 0 CEADMP CCCC[C@H](COC)[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000364599595 372768420 /nfs/dbraw/zinc/76/84/20/372768420.db2.gz AJPBSLWWCLKEPS-ZIAGYGMSSA-N 2 1 265.401 2.240 20 0 CEADMP C([C@H]1CCCN1C[C@@H]1CCOC1)[NH+]1CCCCCC1 ZINC000364626467 372774955 /nfs/dbraw/zinc/77/49/55/372774955.db2.gz XAYDATYRXPLTCB-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000365066118 372801700 /nfs/dbraw/zinc/80/17/00/372801700.db2.gz GWTHTSYBULNZTR-IXDOHACOSA-N 2 1 278.440 2.433 20 0 CEADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cn1 ZINC000353444986 220089269 /nfs/dbraw/zinc/08/92/69/220089269.db2.gz VXAPBAIJRVIOJW-BZUAXINKSA-N 2 1 259.397 2.352 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000344676558 217272684 /nfs/dbraw/zinc/27/26/84/217272684.db2.gz ULTLBZMRYXRRMZ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344676558 217272686 /nfs/dbraw/zinc/27/26/86/217272686.db2.gz ULTLBZMRYXRRMZ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344676558 217272687 /nfs/dbraw/zinc/27/26/87/217272687.db2.gz ULTLBZMRYXRRMZ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC000365624515 372907783 /nfs/dbraw/zinc/90/77/83/372907783.db2.gz SXACZAMMIPRBDB-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000365624515 372907790 /nfs/dbraw/zinc/90/77/90/372907790.db2.gz SXACZAMMIPRBDB-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000365624515 372907795 /nfs/dbraw/zinc/90/77/95/372907795.db2.gz SXACZAMMIPRBDB-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP C(C[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1)[C@@H]1CC[NH2+]C1 ZINC000643057487 372938175 /nfs/dbraw/zinc/93/81/75/372938175.db2.gz ARDKBBXIAMVEAU-JSGCOSHPSA-N 2 1 290.411 2.474 20 0 CEADMP C(C[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1)[C@@H]1CC[NH2+]C1 ZINC000643057487 372938186 /nfs/dbraw/zinc/93/81/86/372938186.db2.gz ARDKBBXIAMVEAU-JSGCOSHPSA-N 2 1 290.411 2.474 20 0 CEADMP CCc1nocc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000353521566 220135216 /nfs/dbraw/zinc/13/52/16/220135216.db2.gz QDIDTUGNJWERNL-CQSZACIVSA-N 2 1 277.412 2.401 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000353531884 220141619 /nfs/dbraw/zinc/14/16/19/220141619.db2.gz PWSGQLKOCQHREN-JYJNAYRXSA-N 2 1 266.429 2.266 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000643498120 373157881 /nfs/dbraw/zinc/15/78/81/373157881.db2.gz DRVOSQRPBPKKHV-CVEARBPZSA-N 2 1 277.412 2.109 20 0 CEADMP Oc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000367472813 373158767 /nfs/dbraw/zinc/15/87/67/373158767.db2.gz WIKQISLVGRYJHX-OIISXLGYSA-N 2 1 272.392 2.308 20 0 CEADMP Oc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000367472813 373158775 /nfs/dbraw/zinc/15/87/75/373158775.db2.gz WIKQISLVGRYJHX-OIISXLGYSA-N 2 1 272.392 2.308 20 0 CEADMP Oc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000367472813 373158782 /nfs/dbraw/zinc/15/87/82/373158782.db2.gz WIKQISLVGRYJHX-OIISXLGYSA-N 2 1 272.392 2.308 20 0 CEADMP Oc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000367472813 373158789 /nfs/dbraw/zinc/15/87/89/373158789.db2.gz WIKQISLVGRYJHX-OIISXLGYSA-N 2 1 272.392 2.308 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC[NH2+]C2CC2)C1 ZINC000643506474 373167440 /nfs/dbraw/zinc/16/74/40/373167440.db2.gz YCYXANOVKBPIJO-WMLDXEAASA-N 2 1 273.424 2.164 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@H]1CCC12CCOCC2)C1CCCCC1 ZINC000643511475 373170977 /nfs/dbraw/zinc/17/09/77/373170977.db2.gz ZCKIEADEILZOMW-GJZGRUSLSA-N 2 1 266.429 2.443 20 0 CEADMP COc1nc(C)cc(C)c1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000643472503 373140454 /nfs/dbraw/zinc/14/04/54/373140454.db2.gz JBEKIYOPNKJZCZ-NHYWBVRUSA-N 2 1 277.412 2.185 20 0 CEADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643527591 373185318 /nfs/dbraw/zinc/18/53/18/373185318.db2.gz OXGIDZPNMNXMJL-GUYCJALGSA-N 2 1 285.391 2.311 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(C)n1 ZINC000643546420 373202463 /nfs/dbraw/zinc/20/24/63/373202463.db2.gz ONOHHQSEKHPZFP-TZMCWYRMSA-N 2 1 274.412 2.419 20 0 CEADMP OCc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000272371767 373451531 /nfs/dbraw/zinc/45/15/31/373451531.db2.gz USNAPFLITVVOOO-GOSISDBHSA-N 2 1 288.435 2.487 20 0 CEADMP OCc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000272371767 373451544 /nfs/dbraw/zinc/45/15/44/373451544.db2.gz USNAPFLITVVOOO-GOSISDBHSA-N 2 1 288.435 2.487 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CCC(C)C)C1 ZINC000644529894 373513118 /nfs/dbraw/zinc/51/31/18/373513118.db2.gz IYBSAZYHGXHSFX-HUUCEWRRSA-N 2 1 256.434 2.105 20 0 CEADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2COCCOC2)CC1 ZINC000644553494 373527578 /nfs/dbraw/zinc/52/75/78/373527578.db2.gz SHODMOCJNVVVEQ-WMLDXEAASA-N 2 1 296.455 2.035 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370698070 373718774 /nfs/dbraw/zinc/71/87/74/373718774.db2.gz IDZFGFMRHRDDRL-DOTOQJQBSA-N 2 1 281.488 2.380 20 0 CEADMP CCc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(C)n1 ZINC000272899328 373701879 /nfs/dbraw/zinc/70/18/79/373701879.db2.gz PFPNNKNBOONDHS-GXFFZTMASA-N 2 1 260.385 2.385 20 0 CEADMP Cc1cc(N2CC[NH+](Cc3cccc(O)c3)CC2)cc[nH+]1 ZINC000274350627 373890559 /nfs/dbraw/zinc/89/05/59/373890559.db2.gz KNPHHIIGVKFCAB-UHFFFAOYSA-N 2 1 283.375 2.418 20 0 CEADMP C[N@@H+]1CC[C@H](C[NH2+]Cc2cncnc2)[C@@H]1c1ccccc1 ZINC000371722110 373959345 /nfs/dbraw/zinc/95/93/45/373959345.db2.gz CQIVZXOGRGXRIX-SJORKVTESA-N 2 1 282.391 2.259 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+]Cc2cncnc2)[C@@H]1c1ccccc1 ZINC000371722110 373959351 /nfs/dbraw/zinc/95/93/51/373959351.db2.gz CQIVZXOGRGXRIX-SJORKVTESA-N 2 1 282.391 2.259 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC([NH2+]C4CC4)CC3)c2c1C ZINC000645194084 373909714 /nfs/dbraw/zinc/90/97/14/373909714.db2.gz NOVFLCTVGJTPOQ-UHFFFAOYSA-N 2 1 285.395 2.296 20 0 CEADMP C[N@H+]1CC[C@H](CNC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000371854372 373993322 /nfs/dbraw/zinc/99/33/22/373993322.db2.gz UUYVCZDZBLRRPJ-SJLPKXTDSA-N 2 1 287.451 2.363 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCCC[NH+]2CCC(C)CC2)C1 ZINC000343113859 220248514 /nfs/dbraw/zinc/24/85/14/220248514.db2.gz ZSMQOVHJXVUZIK-JKSUJKDBSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC[C@H]2CCOC2)C1 ZINC000645811932 374200146 /nfs/dbraw/zinc/20/01/46/374200146.db2.gz ZUCXTZJYCLUSHQ-HOTGVXAUSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000645811932 374200150 /nfs/dbraw/zinc/20/01/50/374200150.db2.gz ZUCXTZJYCLUSHQ-HOTGVXAUSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645811932 374200155 /nfs/dbraw/zinc/20/01/55/374200155.db2.gz ZUCXTZJYCLUSHQ-HOTGVXAUSA-N 2 1 268.445 2.467 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC[C@H]3CCOC3)CC[C@@H]21 ZINC000645815924 374203062 /nfs/dbraw/zinc/20/30/62/374203062.db2.gz CRAAYQUPNHQUNY-XHSDSOJGSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC[C@H]3CCOC3)CC[C@@H]21 ZINC000645815924 374203071 /nfs/dbraw/zinc/20/30/71/374203071.db2.gz CRAAYQUPNHQUNY-XHSDSOJGSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC[C@H]3CCOC3)CC[C@@H]21 ZINC000645815924 374203077 /nfs/dbraw/zinc/20/30/77/374203077.db2.gz CRAAYQUPNHQUNY-XHSDSOJGSA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+](CC)CCCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000372810022 374203254 /nfs/dbraw/zinc/20/32/54/374203254.db2.gz MJSOECXKBYMOIR-BRWVUGGUSA-N 3 1 279.472 2.134 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)CC1 ZINC000277235942 374449389 /nfs/dbraw/zinc/44/93/89/374449389.db2.gz PCDQLHTVZQPZJI-JKSUJKDBSA-N 2 1 262.397 2.136 20 0 CEADMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1ccno1)CC2)C1CC1 ZINC000374289979 374532836 /nfs/dbraw/zinc/53/28/36/374532836.db2.gz XOFXLXXDUMRPKS-CYBMUJFWSA-N 2 1 275.396 2.371 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000374324873 374541541 /nfs/dbraw/zinc/54/15/41/374541541.db2.gz AWBHZYNWSUZXGG-HUUCEWRRSA-N 2 1 266.429 2.267 20 0 CEADMP CCCCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374590551 374608832 /nfs/dbraw/zinc/60/88/32/374608832.db2.gz BUKSMARLULCCGC-HNNXBMFYSA-N 2 1 267.461 2.277 20 0 CEADMP C[N@@H+](C[C@H]1CC=CCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377635034 374905747 /nfs/dbraw/zinc/90/57/47/374905747.db2.gz ZLPYRYUFYGXKQH-WMZOPIPTSA-N 2 1 291.483 2.443 20 0 CEADMP Cc1ccncc1CCCN1CCC[N@H+]2CCC[C@H]2C1 ZINC000377653365 374910132 /nfs/dbraw/zinc/91/01/32/374910132.db2.gz RHAIQUCMUJCONR-KRWDZBQOSA-N 2 1 273.424 2.493 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(C)c1cccc(-n2ccnc2)n1 ZINC000378195585 375039842 /nfs/dbraw/zinc/03/98/42/375039842.db2.gz CNBZCAUXMIILIT-CQSZACIVSA-N 2 1 285.395 2.188 20 0 CEADMP Cc1nccn1-c1cccc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000377976195 374990930 /nfs/dbraw/zinc/99/09/30/374990930.db2.gz ILRFTWRCTOEHBG-GXTWGEPZSA-N 2 1 297.406 2.035 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000377976195 374990936 /nfs/dbraw/zinc/99/09/36/374990936.db2.gz ILRFTWRCTOEHBG-GXTWGEPZSA-N 2 1 297.406 2.035 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000377976195 374990946 /nfs/dbraw/zinc/99/09/46/374990946.db2.gz ILRFTWRCTOEHBG-GXTWGEPZSA-N 2 1 297.406 2.035 20 0 CEADMP COCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280270875 375151021 /nfs/dbraw/zinc/15/10/21/375151021.db2.gz CZPWJKKSDAJTHV-CALCHBBNSA-N 2 1 274.408 2.087 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000382343634 375185260 /nfs/dbraw/zinc/18/52/60/375185260.db2.gz CRKQDJYTNXQCSD-WOPDTQHZSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@]1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCCS1 ZINC000383021675 375197668 /nfs/dbraw/zinc/19/76/68/375197668.db2.gz RSFDFILJEBJOHV-TZMCWYRMSA-N 2 1 254.443 2.346 20 0 CEADMP COc1cc2c(cc1C[NH2+]C[C@@H](C)C[NH+](C)C)O[C@H](C)C2 ZINC000386744473 375265791 /nfs/dbraw/zinc/26/57/91/375265791.db2.gz YHIKQYRSFZXKQO-CHWSQXEVSA-N 2 1 292.423 2.306 20 0 CEADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412557826 375610705 /nfs/dbraw/zinc/61/07/05/375610705.db2.gz JTUXIKBQUGSKNS-UHFFFAOYSA-N 2 1 281.375 2.168 20 0 CEADMP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000684627929 542048880 /nfs/dbraw/zinc/04/88/80/542048880.db2.gz KIZOMNGYKXRYKS-AWEZNQCLSA-N 2 1 298.390 2.368 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000286150918 375857696 /nfs/dbraw/zinc/85/76/96/375857696.db2.gz PLAYSSSWZRTRNM-NWDGAFQWSA-N 2 1 291.395 2.008 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2c2ccnn2C)CC[NH2+]1 ZINC000414761324 375952195 /nfs/dbraw/zinc/95/21/95/375952195.db2.gz ITLNYPZGGBAHLJ-IJEWVQPXSA-N 2 1 276.428 2.335 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000414762250 375953733 /nfs/dbraw/zinc/95/37/33/375953733.db2.gz ADNAIEVYTIDJBQ-CALCHBBNSA-N 2 1 273.424 2.254 20 0 CEADMP C[N@H+](Cc1c[nH]nc1-c1cccs1)C1CC([NH3+])C1 ZINC000414766178 375957676 /nfs/dbraw/zinc/95/76/76/375957676.db2.gz DGNQRUUIVOVVDR-UHFFFAOYSA-N 2 1 262.382 2.060 20 0 CEADMP C[N@@H+](Cc1c[nH]nc1-c1cccs1)C1CC([NH3+])C1 ZINC000414766178 375957681 /nfs/dbraw/zinc/95/76/81/375957681.db2.gz DGNQRUUIVOVVDR-UHFFFAOYSA-N 2 1 262.382 2.060 20 0 CEADMP CCOC(=O)CC(C)(C)[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414765499 375957811 /nfs/dbraw/zinc/95/78/11/375957811.db2.gz ZYPCLCFPCPUVFJ-GFCCVEGCSA-N 2 1 258.406 2.023 20 0 CEADMP CCOC(=O)CC(C)(C)[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414765499 375957821 /nfs/dbraw/zinc/95/78/21/375957821.db2.gz ZYPCLCFPCPUVFJ-GFCCVEGCSA-N 2 1 258.406 2.023 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414782286 375966247 /nfs/dbraw/zinc/96/62/47/375966247.db2.gz OIBNRYOIPVETRX-RDJZCZTQSA-N 2 1 288.435 2.477 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC2CC[NH2+]CC2)C1 ZINC000414783126 375967892 /nfs/dbraw/zinc/96/78/92/375967892.db2.gz GIHAKIKTMOVGLM-YOEHRIQHSA-N 2 1 273.424 2.164 20 0 CEADMP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000414783126 375967897 /nfs/dbraw/zinc/96/78/97/375967897.db2.gz GIHAKIKTMOVGLM-YOEHRIQHSA-N 2 1 273.424 2.164 20 0 CEADMP CCCn1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414788590 375970903 /nfs/dbraw/zinc/97/09/03/375970903.db2.gz XEDPUMQEUWWHKI-HOTGVXAUSA-N 2 1 276.428 2.115 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788517 375971756 /nfs/dbraw/zinc/97/17/56/375971756.db2.gz WWCDOJQEPDDEOC-KBPBESRZSA-N 2 1 290.407 2.222 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)C1CC1 ZINC000414793695 375974746 /nfs/dbraw/zinc/97/47/46/375974746.db2.gz DUDWULZLQMRCST-GFCCVEGCSA-N 2 1 256.296 2.115 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](CCCO)Cc2ccccc2)CC[NH2+]1 ZINC000414695715 375924831 /nfs/dbraw/zinc/92/48/31/375924831.db2.gz OOCMZAAWXCWATD-WBVHZDCISA-N 2 1 276.424 2.259 20 0 CEADMP [NH3+]CCCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000414731361 375941916 /nfs/dbraw/zinc/94/19/16/375941916.db2.gz BLKHBWLRJYJKOI-SFHVURJKSA-N 2 1 287.451 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](OCC3CC3)C2)CC[NH2+]1 ZINC000414737055 375943287 /nfs/dbraw/zinc/94/32/87/375943287.db2.gz HECKLZXXFAUUBZ-BMFZPTHFSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[C@@H](CNCC[NH2+]C2CCCCCC2)CC[NH2+]1 ZINC000414805077 375991915 /nfs/dbraw/zinc/99/19/15/375991915.db2.gz LRDKNDBPWHGELJ-CABCVRRESA-N 2 1 267.461 2.277 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]CCNC2CCCCCC2)CC[NH2+]1 ZINC000414805077 375991916 /nfs/dbraw/zinc/99/19/16/375991916.db2.gz LRDKNDBPWHGELJ-CABCVRRESA-N 2 1 267.461 2.277 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000414810902 375996797 /nfs/dbraw/zinc/99/67/97/375996797.db2.gz YEMHWPNFIRFOIN-UHFFFAOYSA-N 2 1 262.275 2.412 20 0 CEADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(C)c1 ZINC000414810622 375998328 /nfs/dbraw/zinc/99/83/28/375998328.db2.gz VKEBWCFTJVTJJD-XJKSGUPXSA-N 2 1 289.423 2.347 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000414812826 376000672 /nfs/dbraw/zinc/00/06/72/376000672.db2.gz RZEXUQFWDAXNTQ-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000414800116 375984217 /nfs/dbraw/zinc/98/42/17/375984217.db2.gz RUCRKDSFTWIWAW-ZDUSSCGKSA-N 2 1 278.425 2.222 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000286878619 376090110 /nfs/dbraw/zinc/09/01/10/376090110.db2.gz CHUXRSWFQFWGKJ-YQQAZPJKSA-N 2 1 275.440 2.047 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000286878619 376090119 /nfs/dbraw/zinc/09/01/19/376090119.db2.gz CHUXRSWFQFWGKJ-YQQAZPJKSA-N 2 1 275.440 2.047 20 0 CEADMP Cc1ccnc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000287500489 376245631 /nfs/dbraw/zinc/24/56/31/376245631.db2.gz NSANZZVCEYKJDA-OAHLLOKOSA-N 2 1 290.455 2.067 20 0 CEADMP c1cc(CO[C@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)ccn1 ZINC000287771769 376311354 /nfs/dbraw/zinc/31/13/54/376311354.db2.gz MXMMYKHHBZUXFF-KRWDZBQOSA-N 2 1 289.423 2.158 20 0 CEADMP c1cc(CO[C@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)ccn1 ZINC000287771769 376311362 /nfs/dbraw/zinc/31/13/62/376311362.db2.gz MXMMYKHHBZUXFF-KRWDZBQOSA-N 2 1 289.423 2.158 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419257594 376416585 /nfs/dbraw/zinc/41/65/85/376416585.db2.gz ADTFFGBSXPPVNY-KGLIPLIRSA-N 2 1 295.471 2.286 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](CC(C)C)OC)C1 ZINC000419215417 376398175 /nfs/dbraw/zinc/39/81/75/376398175.db2.gz LWQUVQJLIQCQME-HUUCEWRRSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](CC(C)C)OC)C1 ZINC000419215417 376398178 /nfs/dbraw/zinc/39/81/78/376398178.db2.gz LWQUVQJLIQCQME-HUUCEWRRSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](CC(C)C)OC)C1 ZINC000419215417 376398180 /nfs/dbraw/zinc/39/81/80/376398180.db2.gz LWQUVQJLIQCQME-HUUCEWRRSA-N 2 1 256.434 2.321 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000262873268 190064382 /nfs/dbraw/zinc/06/43/82/190064382.db2.gz MNLMOFVUCLLPKH-HOTGVXAUSA-N 2 1 289.423 2.067 20 0 CEADMP CC[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)OC ZINC000419296256 376433579 /nfs/dbraw/zinc/43/35/79/376433579.db2.gz RSJFDSIFLRNURV-FGTMMUONSA-N 2 1 288.435 2.475 20 0 CEADMP CC[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC000419296256 376433583 /nfs/dbraw/zinc/43/35/83/376433583.db2.gz RSJFDSIFLRNURV-FGTMMUONSA-N 2 1 288.435 2.475 20 0 CEADMP CC[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC000419296256 376433587 /nfs/dbraw/zinc/43/35/87/376433587.db2.gz RSJFDSIFLRNURV-FGTMMUONSA-N 2 1 288.435 2.475 20 0 CEADMP CCCCCNC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419298450 376433693 /nfs/dbraw/zinc/43/36/93/376433693.db2.gz WDTHQEGBJWGGNO-AWEZNQCLSA-N 2 1 295.471 2.288 20 0 CEADMP COC[C@@H]1C[N@@H+](CCCc2cnccc2C)C[C@@H](C)O1 ZINC000289692331 376447628 /nfs/dbraw/zinc/44/76/28/376447628.db2.gz NEFIHHKNUXPTLQ-ZBFHGGJFSA-N 2 1 278.396 2.058 20 0 CEADMP COC[C@@H]1CN(CCCc2cnccc2C)C[C@@H](C)O1 ZINC000289692331 376447632 /nfs/dbraw/zinc/44/76/32/376447632.db2.gz NEFIHHKNUXPTLQ-ZBFHGGJFSA-N 2 1 278.396 2.058 20 0 CEADMP COC[C@H]1C[N@@H+](CCCc2cnccc2C)C[C@@H](C)O1 ZINC000289692281 376448139 /nfs/dbraw/zinc/44/81/39/376448139.db2.gz NEFIHHKNUXPTLQ-GDBMZVCRSA-N 2 1 278.396 2.058 20 0 CEADMP COC[C@H]1CN(CCCc2cnccc2C)C[C@@H](C)O1 ZINC000289692281 376448144 /nfs/dbraw/zinc/44/81/44/376448144.db2.gz NEFIHHKNUXPTLQ-GDBMZVCRSA-N 2 1 278.396 2.058 20 0 CEADMP COc1c(O)cccc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289765672 376488357 /nfs/dbraw/zinc/48/83/57/376488357.db2.gz RCQMJKNCQCGDSK-YIONKMFJSA-N 2 1 290.407 2.458 20 0 CEADMP C[C@@H](c1ccc(F)cc1)N(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289916772 376556933 /nfs/dbraw/zinc/55/69/33/376556933.db2.gz OIFZKHKBWGUVDZ-BLLLJJGKSA-N 2 1 280.387 2.274 20 0 CEADMP C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000289916772 376556940 /nfs/dbraw/zinc/55/69/40/376556940.db2.gz OIFZKHKBWGUVDZ-BLLLJJGKSA-N 2 1 280.387 2.274 20 0 CEADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000289916772 376556942 /nfs/dbraw/zinc/55/69/42/376556942.db2.gz OIFZKHKBWGUVDZ-BLLLJJGKSA-N 2 1 280.387 2.274 20 0 CEADMP CCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309750263 376603470 /nfs/dbraw/zinc/60/34/70/376603470.db2.gz VSLXGTNYJKIYNJ-MRXNPFEDSA-N 2 1 288.439 2.423 20 0 CEADMP C[C@H]([NH3+])C[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000310235804 376617940 /nfs/dbraw/zinc/61/79/40/376617940.db2.gz AUNRJKKUSXFXSR-NSHDSACASA-N 2 1 256.777 2.388 20 0 CEADMP C[C@H]([NH3+])C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000310235804 376617943 /nfs/dbraw/zinc/61/79/43/376617943.db2.gz AUNRJKKUSXFXSR-NSHDSACASA-N 2 1 256.777 2.388 20 0 CEADMP CN(C[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1)C1CC1 ZINC000290129479 376652824 /nfs/dbraw/zinc/65/28/24/376652824.db2.gz ZLPWFGHGJSUBOL-IRXDYDNUSA-N 2 1 292.398 2.418 20 0 CEADMP CN(C[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(F)c1)C1CC1 ZINC000290129479 376652832 /nfs/dbraw/zinc/65/28/32/376652832.db2.gz ZLPWFGHGJSUBOL-IRXDYDNUSA-N 2 1 292.398 2.418 20 0 CEADMP COC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000311148898 376654458 /nfs/dbraw/zinc/65/44/58/376654458.db2.gz IDYRHDLWOFQZAR-BFHYXJOUSA-N 2 1 254.418 2.264 20 0 CEADMP c1cc2[nH+]ccc(N3CC[C@H]4C[NH2+]C[C@H]4C3)c2s1 ZINC000420264811 376675607 /nfs/dbraw/zinc/67/56/07/376675607.db2.gz UUKXCEKUQCWAPO-QWRGUYRKSA-N 2 1 259.378 2.342 20 0 CEADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420383496 376684396 /nfs/dbraw/zinc/68/43/96/376684396.db2.gz QUGOZWKCSZIHEJ-WMLDXEAASA-N 2 1 299.422 2.443 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](CCCc2ccc(Cl)cc2)CCCO1 ZINC000420389163 376687364 /nfs/dbraw/zinc/68/73/64/376687364.db2.gz MAAJJESSROABIV-HNNXBMFYSA-N 2 1 282.815 2.322 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CCCO1 ZINC000420389163 376687366 /nfs/dbraw/zinc/68/73/66/376687366.db2.gz MAAJJESSROABIV-HNNXBMFYSA-N 2 1 282.815 2.322 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCCC3CCOCC3)C[C@@H]12 ZINC000311861858 376691212 /nfs/dbraw/zinc/69/12/12/376691212.db2.gz VGHSOZCOLSYCBY-BZUAXINKSA-N 2 1 266.429 2.252 20 0 CEADMP CN(C[C@H](O)C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C)C1CC1 ZINC000312842589 376731540 /nfs/dbraw/zinc/73/15/40/376731540.db2.gz FJFIAJLHLOPDFL-RYUDHWBXSA-N 2 1 294.361 2.104 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCSC)CC2)CC1 ZINC000420984726 376757546 /nfs/dbraw/zinc/75/75/46/376757546.db2.gz UOEOTXHIAJXLTJ-UHFFFAOYSA-N 2 1 299.528 2.232 20 0 CEADMP COc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1O ZINC000290394306 376759629 /nfs/dbraw/zinc/75/96/29/376759629.db2.gz JADOPTRSNAALOW-GJZGRUSLSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1O ZINC000290394306 376759638 /nfs/dbraw/zinc/75/96/38/376759638.db2.gz JADOPTRSNAALOW-GJZGRUSLSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1O ZINC000290394306 376759644 /nfs/dbraw/zinc/75/96/44/376759644.db2.gz JADOPTRSNAALOW-GJZGRUSLSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1O ZINC000290394306 376759649 /nfs/dbraw/zinc/75/96/49/376759649.db2.gz JADOPTRSNAALOW-GJZGRUSLSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1O ZINC000290394306 376759659 /nfs/dbraw/zinc/75/96/59/376759659.db2.gz JADOPTRSNAALOW-GJZGRUSLSA-N 2 1 290.407 2.317 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](O)CC12CCC2 ZINC000420991147 376763222 /nfs/dbraw/zinc/76/32/22/376763222.db2.gz HWAJNJNPDMYAEF-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP Cc1ccc(O)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000290512776 376814901 /nfs/dbraw/zinc/81/49/01/376814901.db2.gz PQGKQMKNAPBRNZ-HIFRSBDPSA-N 2 1 275.396 2.012 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000290512776 376814908 /nfs/dbraw/zinc/81/49/08/376814908.db2.gz PQGKQMKNAPBRNZ-HIFRSBDPSA-N 2 1 275.396 2.012 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000290512776 376814915 /nfs/dbraw/zinc/81/49/15/376814915.db2.gz PQGKQMKNAPBRNZ-HIFRSBDPSA-N 2 1 275.396 2.012 20 0 CEADMP CCCCOc1ncccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422974076 376898122 /nfs/dbraw/zinc/89/81/22/376898122.db2.gz QHTGERBVFVJQGD-OLZOCXBDSA-N 2 1 265.401 2.476 20 0 CEADMP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc2c1OCO2 ZINC000290559589 376833112 /nfs/dbraw/zinc/83/31/12/376833112.db2.gz SHUXXYKBEWGCLD-OCCSQVGLSA-N 2 1 276.380 2.187 20 0 CEADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cccc2c1OCO2 ZINC000290559589 376833121 /nfs/dbraw/zinc/83/31/21/376833121.db2.gz SHUXXYKBEWGCLD-OCCSQVGLSA-N 2 1 276.380 2.187 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000328656012 376873231 /nfs/dbraw/zinc/87/32/31/376873231.db2.gz YYMBUEWSWVLRFB-GFCCVEGCSA-N 2 1 287.411 2.256 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422957439 376882615 /nfs/dbraw/zinc/88/26/15/376882615.db2.gz UCJXLLJRUIXIJO-WCQYABFASA-N 2 1 279.453 2.152 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)N(C)C ZINC000422961628 376887134 /nfs/dbraw/zinc/88/71/34/376887134.db2.gz COXFIDFEUQGDQS-BMFZPTHFSA-N 2 1 269.477 2.331 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000422963483 376892685 /nfs/dbraw/zinc/89/26/85/376892685.db2.gz FZDMHFLASOVQPQ-DJIMGWMZSA-N 2 1 290.451 2.376 20 0 CEADMP CCCCOc1ncccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422974078 376897136 /nfs/dbraw/zinc/89/71/36/376897136.db2.gz QHTGERBVFVJQGD-STQMWFEESA-N 2 1 265.401 2.476 20 0 CEADMP C[C@@H](NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000423082262 376973740 /nfs/dbraw/zinc/97/37/40/376973740.db2.gz CURPALAVNFZWDL-ILXRZTDVSA-N 2 1 267.461 2.227 20 0 CEADMP FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000422987918 376909211 /nfs/dbraw/zinc/90/92/11/376909211.db2.gz HULISTBJKNWKQM-FQUUOJAGSA-N 2 1 288.382 2.311 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422997032 376915147 /nfs/dbraw/zinc/91/51/47/376915147.db2.gz NDJKQNCOPFTVIG-ARFHVFGLSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423085154 376978665 /nfs/dbraw/zinc/97/86/65/376978665.db2.gz JTSUGGKJZGZRIU-BPQIPLTHSA-N 2 1 287.451 2.096 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000423064893 376954715 /nfs/dbraw/zinc/95/47/15/376954715.db2.gz SJHAYUGGIODUAL-RCCFBDPRSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423069274 376960098 /nfs/dbraw/zinc/96/00/98/376960098.db2.gz DMRHBZLBBNIQFS-AEGPPILISA-N 2 1 254.418 2.048 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000423077497 376969320 /nfs/dbraw/zinc/96/93/20/376969320.db2.gz UBQSGGHGHBSDMB-LSDHHAIUSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000423077497 376969321 /nfs/dbraw/zinc/96/93/21/376969321.db2.gz UBQSGGHGHBSDMB-LSDHHAIUSA-N 2 1 267.461 2.086 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)CC2 ZINC000423079425 376970887 /nfs/dbraw/zinc/97/08/87/376970887.db2.gz QTRYBUOFAXRJMN-IMJJTQAJSA-N 2 1 290.455 2.442 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000423122056 377018065 /nfs/dbraw/zinc/01/80/65/377018065.db2.gz JZYHQZKLDKRASN-RBSFLKMASA-N 2 1 263.429 2.222 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000423122056 377018073 /nfs/dbraw/zinc/01/80/73/377018073.db2.gz JZYHQZKLDKRASN-RBSFLKMASA-N 2 1 263.429 2.222 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1c[nH+]ccc1N ZINC000423123069 377019303 /nfs/dbraw/zinc/01/93/03/377019303.db2.gz LYBDNBRIOUEZJA-VXGBXAGGSA-N 2 1 269.348 2.321 20 0 CEADMP CC[C@@H]([NH2+][C@H]1COc2c(C)cccc2C1)[C@@H]1CCC[NH2+]1 ZINC000423140006 377040201 /nfs/dbraw/zinc/04/02/01/377040201.db2.gz LXANSOHTOOSIAS-OAGGEKHMSA-N 2 1 274.408 2.419 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CSC1(C)C ZINC000423098504 376991552 /nfs/dbraw/zinc/99/15/52/376991552.db2.gz CYDTWCIAVJBSAN-YUTCNCBUSA-N 2 1 264.438 2.429 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CC(F)(F)F ZINC000423195069 377110170 /nfs/dbraw/zinc/11/01/70/377110170.db2.gz XLHKOEQNLQARPV-LOWDOPEQSA-N 2 1 294.361 2.322 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000423197656 377113859 /nfs/dbraw/zinc/11/38/59/377113859.db2.gz AJCMRXPJVUJHQR-CYBMUJFWSA-N 2 1 275.396 2.074 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423160212 377064793 /nfs/dbraw/zinc/06/47/93/377064793.db2.gz ZFTPPKJTNCKUCS-STQMWFEESA-N 2 1 272.751 2.327 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423165443 377069115 /nfs/dbraw/zinc/06/91/15/377069115.db2.gz QATBGDYAHDFSPQ-ZIAGYGMSSA-N 2 1 253.434 2.110 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423171372 377079245 /nfs/dbraw/zinc/07/92/45/377079245.db2.gz ZYNMBFZPAJAAAX-CYBMUJFWSA-N 3 1 290.455 2.374 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000423176962 377086683 /nfs/dbraw/zinc/08/66/83/377086683.db2.gz GUWULECEULXSGK-IMJJTQAJSA-N 2 1 280.387 2.022 20 0 CEADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCC23CCC3)c1 ZINC000423184755 377096111 /nfs/dbraw/zinc/09/61/11/377096111.db2.gz IPNSTHQKGNMKCS-OAHLLOKOSA-N 2 1 259.397 2.484 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423269538 377189981 /nfs/dbraw/zinc/18/99/81/377189981.db2.gz HDPPOYDEYWHPGW-ZMSDIMECSA-N 2 1 275.440 2.095 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000423269538 377189984 /nfs/dbraw/zinc/18/99/84/377189984.db2.gz HDPPOYDEYWHPGW-ZMSDIMECSA-N 2 1 275.440 2.095 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cn1 ZINC000423218186 377133632 /nfs/dbraw/zinc/13/36/32/377133632.db2.gz VHXWXJSGSRZQMK-GHMZBOCLSA-N 2 1 253.777 2.385 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000423273149 377195595 /nfs/dbraw/zinc/19/55/95/377195595.db2.gz ZYJPEBDNJAWXGF-HUUCEWRRSA-N 2 1 291.439 2.391 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000423273148 377195756 /nfs/dbraw/zinc/19/57/56/377195756.db2.gz ZYJPEBDNJAWXGF-GJZGRUSLSA-N 2 1 291.439 2.391 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423255973 377176317 /nfs/dbraw/zinc/17/63/17/377176317.db2.gz BDOSTFXSTFRIDH-BQFCYCMXSA-N 2 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423255973 377176322 /nfs/dbraw/zinc/17/63/22/377176322.db2.gz BDOSTFXSTFRIDH-BQFCYCMXSA-N 3 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423255973 377176325 /nfs/dbraw/zinc/17/63/25/377176325.db2.gz BDOSTFXSTFRIDH-BQFCYCMXSA-N 3 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000423255973 377176328 /nfs/dbraw/zinc/17/63/28/377176328.db2.gz BDOSTFXSTFRIDH-BQFCYCMXSA-N 2 1 289.467 2.342 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423261143 377180279 /nfs/dbraw/zinc/18/02/79/377180279.db2.gz JFUQDRQTNRRXEQ-GJZGRUSLSA-N 2 1 276.428 2.295 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)[C@@H]1C ZINC000423265285 377184196 /nfs/dbraw/zinc/18/41/96/377184196.db2.gz QSEJSCIUFUGLHU-SYAUCNOPSA-N 2 1 296.455 2.461 20 0 CEADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423268176 377186531 /nfs/dbraw/zinc/18/65/31/377186531.db2.gz GHUCFZVNYOGRRW-CHWSQXEVSA-N 2 1 266.360 2.395 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C12CCCCC2 ZINC000423280533 377207593 /nfs/dbraw/zinc/20/75/93/377207593.db2.gz SVZJLGDGSLWOGJ-SOUVJXGZSA-N 2 1 266.429 2.441 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423280069 377207650 /nfs/dbraw/zinc/20/76/50/377207650.db2.gz STKVXGOSNGDKCW-WMLDXEAASA-N 3 1 293.455 2.261 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423280067 377207836 /nfs/dbraw/zinc/20/78/36/377207836.db2.gz STKVXGOSNGDKCW-PBHICJAKSA-N 3 1 293.455 2.261 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](COC)c1ccc(F)c(F)c1 ZINC000423283643 377211842 /nfs/dbraw/zinc/21/18/42/377211842.db2.gz XRJFBOHGEHECGV-YGRLFVJLSA-N 2 1 272.339 2.097 20 0 CEADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(OC)c(OC)c1 ZINC000423284224 377212791 /nfs/dbraw/zinc/21/27/91/377212791.db2.gz WRNGPXBXFPENKP-UONOGXRCSA-N 2 1 278.396 2.482 20 0 CEADMP c1nc(-c2ccccc2)[nH]c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000563422092 377218608 /nfs/dbraw/zinc/21/86/08/377218608.db2.gz CAWGHYXPIQTANW-CYBMUJFWSA-N 2 1 270.380 2.166 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000423295630 377225394 /nfs/dbraw/zinc/22/53/94/377225394.db2.gz XDEPVKRAZYIJHN-DVOMOZLQSA-N 3 1 261.413 2.136 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000423295630 377225404 /nfs/dbraw/zinc/22/54/04/377225404.db2.gz XDEPVKRAZYIJHN-DVOMOZLQSA-N 2 1 261.413 2.136 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000423301147 377230746 /nfs/dbraw/zinc/23/07/46/377230746.db2.gz SOPOKEZURHTUBP-MCIONIFRSA-N 2 1 254.418 2.441 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)oc1C ZINC000564457791 377394475 /nfs/dbraw/zinc/39/44/75/377394475.db2.gz XZGMNAXAYFRLAY-GOEBONIOSA-N 2 1 293.411 2.010 20 0 CEADMP C[N@H+]1CCC[C@]2(CCN(Cc3ccc(F)cn3)C2)C1 ZINC000293112818 377433521 /nfs/dbraw/zinc/43/35/21/377433521.db2.gz YPAYAMDTZZFUMC-HNNXBMFYSA-N 2 1 263.360 2.138 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@H](C[NH3+])C2)n1-c1ccccc1 ZINC000564968678 377516955 /nfs/dbraw/zinc/51/69/55/377516955.db2.gz CEBFHIIBZGDUMZ-OAHLLOKOSA-N 2 1 284.407 2.351 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@H](C[NH3+])C2)n1-c1ccccc1 ZINC000564968678 377516961 /nfs/dbraw/zinc/51/69/61/377516961.db2.gz CEBFHIIBZGDUMZ-OAHLLOKOSA-N 2 1 284.407 2.351 20 0 CEADMP CC[NH+](CC)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000265331190 190175018 /nfs/dbraw/zinc/17/50/18/190175018.db2.gz UAJVVKURQXQOBI-INIZCTEOSA-N 2 1 291.439 2.137 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCO[C@@H]1c1ccccc1 ZINC000565164814 377580946 /nfs/dbraw/zinc/58/09/46/377580946.db2.gz OCBVHJWFYJVKPT-DLBZAZTESA-N 2 1 285.391 2.473 20 0 CEADMP Cc1cnc([C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cn1 ZINC000332427539 377599381 /nfs/dbraw/zinc/59/93/81/377599381.db2.gz CRVUDFQWWNABER-GFCCVEGCSA-N 2 1 271.368 2.449 20 0 CEADMP Cc1ccc2cc(C[N@@H+]3CCCO[C@H](C[NH3+])C3)ccc2n1 ZINC000313353173 249394766 /nfs/dbraw/zinc/39/47/66/249394766.db2.gz OUEYJNAWQXFJII-MRXNPFEDSA-N 2 1 285.391 2.093 20 0 CEADMP Cc1ccc2cc(C[N@H+]3CCCO[C@H](C[NH3+])C3)ccc2n1 ZINC000313353173 249394769 /nfs/dbraw/zinc/39/47/69/249394769.db2.gz OUEYJNAWQXFJII-MRXNPFEDSA-N 2 1 285.391 2.093 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000431555275 377652179 /nfs/dbraw/zinc/65/21/79/377652179.db2.gz FBWMCDWBQLQERH-JKSUJKDBSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000566106044 377725845 /nfs/dbraw/zinc/72/58/45/377725845.db2.gz FHADADOJABDEEO-RVKKMQEKSA-N 2 1 288.435 2.225 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H]2CC=CCC2)CCCO1 ZINC000432370841 377754758 /nfs/dbraw/zinc/75/47/58/377754758.db2.gz WBWZXRGFIAKMEV-JKSUJKDBSA-N 2 1 266.429 2.433 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(F)c2)CC[N@H+]1C ZINC000567161292 377805730 /nfs/dbraw/zinc/80/57/30/377805730.db2.gz SBTFCGXYZGMXPP-JSGCOSHPSA-N 2 1 293.386 2.227 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000438113326 377888725 /nfs/dbraw/zinc/88/87/25/377888725.db2.gz JYCSZGHVJRZEDP-LSDHHAIUSA-N 2 1 254.418 2.077 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000442919376 378017468 /nfs/dbraw/zinc/01/74/68/378017468.db2.gz IVPAWHBNQMRUGF-ZDUSSCGKSA-N 2 1 263.385 2.041 20 0 CEADMP CCc1cccc(OCC[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000442756820 377990585 /nfs/dbraw/zinc/99/05/85/377990585.db2.gz KUPHZALGSSNKBQ-HIFRSBDPSA-N 2 1 262.397 2.297 20 0 CEADMP CN(Cc1cc(C(F)(F)F)n[nH]1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000442798526 377997654 /nfs/dbraw/zinc/99/76/54/377997654.db2.gz IZTUIJIAQXYXPE-SNVBAGLBSA-N 2 1 290.333 2.202 20 0 CEADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000442812940 378001769 /nfs/dbraw/zinc/00/17/69/378001769.db2.gz SCMFAVILFIBSEB-XGUBFFRZSA-N 2 1 252.402 2.160 20 0 CEADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443060977 378031694 /nfs/dbraw/zinc/03/16/94/378031694.db2.gz QKDJZYVTTOBWJD-HUUCEWRRSA-N 2 1 289.423 2.383 20 0 CEADMP CC(C)c1noc([C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000443062709 378031866 /nfs/dbraw/zinc/03/18/66/378031866.db2.gz VDJUQKGOYWENIS-RYUDHWBXSA-N 2 1 266.389 2.315 20 0 CEADMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000443314521 378044191 /nfs/dbraw/zinc/04/41/91/378044191.db2.gz ZOJZIOQUMSGJRB-BZUAXINKSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000443345909 378048086 /nfs/dbraw/zinc/04/80/86/378048086.db2.gz SVXYFYNXDIPQGF-YDHLFZDLSA-N 2 1 265.401 2.063 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000443345909 378048088 /nfs/dbraw/zinc/04/80/88/378048088.db2.gz SVXYFYNXDIPQGF-YDHLFZDLSA-N 2 1 265.401 2.063 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000450428114 378411785 /nfs/dbraw/zinc/41/17/85/378411785.db2.gz GXMUCUKIRVJLHH-NUJGCVRESA-N 2 1 290.451 2.425 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000450428114 378411789 /nfs/dbraw/zinc/41/17/89/378411789.db2.gz GXMUCUKIRVJLHH-NUJGCVRESA-N 2 1 290.451 2.425 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000450428114 378411794 /nfs/dbraw/zinc/41/17/94/378411794.db2.gz GXMUCUKIRVJLHH-NUJGCVRESA-N 2 1 290.451 2.425 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000450651854 378520112 /nfs/dbraw/zinc/52/01/12/378520112.db2.gz MCQIVBZMXARTJA-OWCLPIDISA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000450651854 378520115 /nfs/dbraw/zinc/52/01/15/378520115.db2.gz MCQIVBZMXARTJA-OWCLPIDISA-N 2 1 267.461 2.274 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000450651854 378520116 /nfs/dbraw/zinc/52/01/16/378520116.db2.gz MCQIVBZMXARTJA-OWCLPIDISA-N 2 1 267.461 2.274 20 0 CEADMP C[C@@H]([NH2+]CCC[C@H](C)O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450730757 378551307 /nfs/dbraw/zinc/55/13/07/378551307.db2.gz XNCIJEVTEAOMSZ-ZNMIVQPWSA-N 2 1 268.445 2.390 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000450859640 378618841 /nfs/dbraw/zinc/61/88/41/378618841.db2.gz MHYVQPLVCINMKY-KLHDSHLOSA-N 2 1 278.440 2.408 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298132135 378693059 /nfs/dbraw/zinc/69/30/59/378693059.db2.gz QCJXPJLIJGVMGH-OAHLLOKOSA-N 3 1 290.455 2.370 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000451065354 378696488 /nfs/dbraw/zinc/69/64/88/378696488.db2.gz VBWBKHADQBMBEC-NJAFHUGGSA-N 2 1 288.435 2.179 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000451065354 378696493 /nfs/dbraw/zinc/69/64/93/378696493.db2.gz VBWBKHADQBMBEC-NJAFHUGGSA-N 2 1 288.435 2.179 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000451065354 378696495 /nfs/dbraw/zinc/69/64/95/378696495.db2.gz VBWBKHADQBMBEC-NJAFHUGGSA-N 2 1 288.435 2.179 20 0 CEADMP C[C@H](Cc1cnccn1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000453096608 378800494 /nfs/dbraw/zinc/80/04/94/378800494.db2.gz UFQPAPVZQAPCEM-HUUCEWRRSA-N 2 1 276.428 2.262 20 0 CEADMP CN(CC(C)(C)[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000346853535 218037573 /nfs/dbraw/zinc/03/75/73/218037573.db2.gz SZFBLQFGMHTZQU-INIZCTEOSA-N 2 1 275.440 2.320 20 0 CEADMP CC(C)([NH3+])CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000346853959 218038569 /nfs/dbraw/zinc/03/85/69/218038569.db2.gz YIECSWLERVDLJZ-UHFFFAOYSA-N 2 1 279.403 2.071 20 0 CEADMP Cc1nccnc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453405377 378890118 /nfs/dbraw/zinc/89/01/18/378890118.db2.gz QLHVMMKNHFADCS-GFCCVEGCSA-N 2 1 262.401 2.310 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453428785 378902489 /nfs/dbraw/zinc/90/24/89/378902489.db2.gz QBRFHHQXZWZSJM-MCIONIFRSA-N 2 1 254.418 2.121 20 0 CEADMP COc1cccnc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000453382995 378879660 /nfs/dbraw/zinc/87/96/60/378879660.db2.gz ZTDLUWMHEFJMCO-GZBFAFLISA-N 2 1 275.396 2.053 20 0 CEADMP COc1cccnc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000453382995 378879663 /nfs/dbraw/zinc/87/96/63/378879663.db2.gz ZTDLUWMHEFJMCO-GZBFAFLISA-N 2 1 275.396 2.053 20 0 CEADMP Cn1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(C(F)F)n1 ZINC000453591593 378914605 /nfs/dbraw/zinc/91/46/05/378914605.db2.gz CVJMPAPRMPMVLO-UHFFFAOYSA-N 2 1 286.370 2.322 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1)C1CC1 ZINC000453600255 378917886 /nfs/dbraw/zinc/91/78/86/378917886.db2.gz SCJFJKYNMYSZQP-UHFFFAOYSA-N 2 1 290.333 2.393 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1-n1cncn1 ZINC000347050516 218104964 /nfs/dbraw/zinc/10/49/64/218104964.db2.gz QVNNVSQFFDEVDD-GDBMZVCRSA-N 2 1 299.422 2.135 20 0 CEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000193131253 296284976 /nfs/dbraw/zinc/28/49/76/296284976.db2.gz JRHNBOHGNQPKQE-CVEARBPZSA-N 2 1 281.488 2.428 20 0 CEADMP CCC[N@@H+](Cc1cnc2n[nH]c(C)c2c1)C1CC[NH2+]CC1 ZINC000347091856 218119232 /nfs/dbraw/zinc/11/92/32/218119232.db2.gz GMZGZBDUMZQMMQ-UHFFFAOYSA-N 2 1 287.411 2.230 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(SC)cc1OC ZINC000347091551 218119886 /nfs/dbraw/zinc/11/98/86/218119886.db2.gz FZGKZDBSCKTTAU-LLVKDONJSA-N 2 1 296.436 2.206 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c(SC)cc1OC ZINC000347091551 218119888 /nfs/dbraw/zinc/11/98/88/218119888.db2.gz FZGKZDBSCKTTAU-LLVKDONJSA-N 2 1 296.436 2.206 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000347113292 218126731 /nfs/dbraw/zinc/12/67/31/218126731.db2.gz RSKXYTRDVXISOR-LBPRGKRZSA-N 2 1 270.323 2.111 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000347140073 218134842 /nfs/dbraw/zinc/13/48/42/218134842.db2.gz WCTPHVUCOYEQQX-GXTWGEPZSA-N 2 1 278.396 2.263 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000347140073 218134843 /nfs/dbraw/zinc/13/48/43/218134843.db2.gz WCTPHVUCOYEQQX-GXTWGEPZSA-N 2 1 278.396 2.263 20 0 CEADMP CCc1ncc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000347151252 218139530 /nfs/dbraw/zinc/13/95/30/218139530.db2.gz ZSNZDJPPLZLFAS-QWRGUYRKSA-N 2 1 253.415 2.265 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000347151252 218139533 /nfs/dbraw/zinc/13/95/33/218139533.db2.gz ZSNZDJPPLZLFAS-QWRGUYRKSA-N 2 1 253.415 2.265 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cn1 ZINC000347311238 218187154 /nfs/dbraw/zinc/18/71/54/218187154.db2.gz LZTNGFOZHHDDSS-OLZOCXBDSA-N 2 1 252.406 2.455 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000513076381 379124774 /nfs/dbraw/zinc/12/47/74/379124774.db2.gz OTLGHPIFUPKDSC-FMKPAKJESA-N 2 1 265.445 2.076 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000513076381 379124782 /nfs/dbraw/zinc/12/47/82/379124782.db2.gz OTLGHPIFUPKDSC-FMKPAKJESA-N 2 1 265.445 2.076 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000513076381 379124792 /nfs/dbraw/zinc/12/47/92/379124792.db2.gz OTLGHPIFUPKDSC-FMKPAKJESA-N 2 1 265.445 2.076 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000513076381 379124800 /nfs/dbraw/zinc/12/48/00/379124800.db2.gz OTLGHPIFUPKDSC-FMKPAKJESA-N 2 1 265.445 2.076 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCn3cccn3)C1)CCCC2 ZINC000299742755 379124971 /nfs/dbraw/zinc/12/49/71/379124971.db2.gz KCZNFQXTQBVMIG-HNNXBMFYSA-N 2 1 299.422 2.214 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCn3cccn3)C1)CCCC2 ZINC000299742755 379124980 /nfs/dbraw/zinc/12/49/80/379124980.db2.gz KCZNFQXTQBVMIG-HNNXBMFYSA-N 2 1 299.422 2.214 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000300408924 379166854 /nfs/dbraw/zinc/16/68/54/379166854.db2.gz RYWPMKUWNYMUOP-XDQVBPFNSA-N 2 1 252.402 2.016 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000347518491 218261724 /nfs/dbraw/zinc/26/17/24/218261724.db2.gz IGANCEGQVAJLIM-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP Cc1[nH]nc2ncc(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)cc12 ZINC000515430211 379215684 /nfs/dbraw/zinc/21/56/84/379215684.db2.gz QMFPHWMDHNWZGK-ZDUSSCGKSA-N 2 1 287.411 2.088 20 0 CEADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000515668990 379236019 /nfs/dbraw/zinc/23/60/19/379236019.db2.gz SUJHVTRQBUXCBP-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000515668990 379236029 /nfs/dbraw/zinc/23/60/29/379236029.db2.gz SUJHVTRQBUXCBP-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP COCC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(C)o1 ZINC000516487907 379284721 /nfs/dbraw/zinc/28/47/21/379284721.db2.gz CRQGMQOEDYTVAB-UHFFFAOYSA-N 2 1 291.395 2.403 20 0 CEADMP COCC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(C)o1 ZINC000516487907 379284728 /nfs/dbraw/zinc/28/47/28/379284728.db2.gz CRQGMQOEDYTVAB-UHFFFAOYSA-N 2 1 291.395 2.403 20 0 CEADMP Cc1cc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc[nH+]1 ZINC000302218035 379333130 /nfs/dbraw/zinc/33/31/30/379333130.db2.gz KNLACXJQOGCCJR-CQSZACIVSA-N 2 1 275.396 2.080 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc(C(=O)OC)c(C)o2)C1 ZINC000266600702 190270096 /nfs/dbraw/zinc/27/00/96/190270096.db2.gz CXJFOGGFJGQGKY-CYBMUJFWSA-N 2 1 294.395 2.148 20 0 CEADMP C[C@H]1CCC[N@H+](CCCCNc2nc(N(C)C)cc[nH+]2)C1 ZINC000301717619 379297820 /nfs/dbraw/zinc/29/78/20/379297820.db2.gz HQQXRSAZGYIHLC-AWEZNQCLSA-N 2 1 291.443 2.467 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNc2nc(N(C)C)cc[nH+]2)C1 ZINC000301717619 379297831 /nfs/dbraw/zinc/29/78/31/379297831.db2.gz HQQXRSAZGYIHLC-AWEZNQCLSA-N 2 1 291.443 2.467 20 0 CEADMP [NH3+]C[C@H]1CCCC[N@@H+]1CCCCC1CCOCC1 ZINC000302259775 379346546 /nfs/dbraw/zinc/34/65/46/379346546.db2.gz OBHHNTFPNFKUDQ-OAHLLOKOSA-N 2 1 254.418 2.397 20 0 CEADMP [NH3+]C[C@H]1CCCC[N@H+]1CCCCC1CCOCC1 ZINC000302259775 379346550 /nfs/dbraw/zinc/34/65/50/379346550.db2.gz OBHHNTFPNFKUDQ-OAHLLOKOSA-N 2 1 254.418 2.397 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cn1 ZINC000278993514 194243472 /nfs/dbraw/zinc/24/34/72/194243472.db2.gz QHOBXYMBEBUBHR-NEPJUHHUSA-N 2 1 274.343 2.330 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cn1 ZINC000278993516 194243826 /nfs/dbraw/zinc/24/38/26/194243826.db2.gz QHOBXYMBEBUBHR-NWDGAFQWSA-N 2 1 274.343 2.330 20 0 CEADMP COC[C@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000525999018 379692967 /nfs/dbraw/zinc/69/29/67/379692967.db2.gz CCYZEFNVJDLWAF-NXHRZFHOSA-N 2 1 288.435 2.333 20 0 CEADMP COC[C@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000525999018 379692976 /nfs/dbraw/zinc/69/29/76/379692976.db2.gz CCYZEFNVJDLWAF-NXHRZFHOSA-N 2 1 288.435 2.333 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000267303603 190319810 /nfs/dbraw/zinc/31/98/10/190319810.db2.gz VFTCJEPDQKUAKO-WDEREUQCSA-N 2 1 259.357 2.243 20 0 CEADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]CC3(F)CC3)c2)CCO1 ZINC000527520499 379763832 /nfs/dbraw/zinc/76/38/32/379763832.db2.gz GNXHYACHLDYNNA-AWEZNQCLSA-N 2 1 292.398 2.499 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]CC3(F)CC3)c2)CCO1 ZINC000527520499 379763840 /nfs/dbraw/zinc/76/38/40/379763840.db2.gz GNXHYACHLDYNNA-AWEZNQCLSA-N 2 1 292.398 2.499 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3cn(C)nc3c2)[C@H](C)C1 ZINC000527963780 379860139 /nfs/dbraw/zinc/86/01/39/379860139.db2.gz PBRPRGPARRKMEL-CJNGLKHVSA-N 2 1 286.423 2.393 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000527999822 379871137 /nfs/dbraw/zinc/87/11/37/379871137.db2.gz HROSAXFDWONWLO-XSLAGTTESA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000527999822 379871142 /nfs/dbraw/zinc/87/11/42/379871142.db2.gz HROSAXFDWONWLO-XSLAGTTESA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000527999822 379871153 /nfs/dbraw/zinc/87/11/53/379871153.db2.gz HROSAXFDWONWLO-XSLAGTTESA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000527999822 379871156 /nfs/dbraw/zinc/87/11/56/379871156.db2.gz HROSAXFDWONWLO-XSLAGTTESA-N 2 1 291.483 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000527999822 379871164 /nfs/dbraw/zinc/87/11/64/379871164.db2.gz HROSAXFDWONWLO-XSLAGTTESA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000488506024 380104565 /nfs/dbraw/zinc/10/45/65/380104565.db2.gz NZOISMBUORVPIE-JLSDUUJJSA-N 2 1 288.435 2.389 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CCCCOc3ccccc3)C[C@@H]2C1 ZINC000488770767 380134211 /nfs/dbraw/zinc/13/42/11/380134211.db2.gz VTBGBRREOPIMEJ-IYBDPMFKSA-N 2 1 274.408 2.339 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCCCOc3ccccc3)C[C@@H]2C1 ZINC000488770767 380134219 /nfs/dbraw/zinc/13/42/19/380134219.db2.gz VTBGBRREOPIMEJ-IYBDPMFKSA-N 2 1 274.408 2.339 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCCCOc3ccccc3)C[C@@H]2C1 ZINC000488770767 380134221 /nfs/dbraw/zinc/13/42/21/380134221.db2.gz VTBGBRREOPIMEJ-IYBDPMFKSA-N 2 1 274.408 2.339 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CCO1 ZINC000488977221 380150456 /nfs/dbraw/zinc/15/04/56/380150456.db2.gz INZDKFFOVMZOJQ-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000545867639 380391522 /nfs/dbraw/zinc/39/15/22/380391522.db2.gz ZHNWDYZADSRRIJ-JKSUJKDBSA-N 2 1 294.826 2.374 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000548448533 380519486 /nfs/dbraw/zinc/51/94/86/380519486.db2.gz SPSRVSMUXIHFKZ-AWEZNQCLSA-N 2 1 297.487 2.486 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1-n1ccnn1 ZINC000552043992 380679413 /nfs/dbraw/zinc/67/94/13/380679413.db2.gz JUUFKDJGWSRIKV-GJZGRUSLSA-N 2 1 299.422 2.260 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000554424507 380769411 /nfs/dbraw/zinc/76/94/11/380769411.db2.gz VPZTVTOURNTBGL-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CC[C@@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000554424507 380769418 /nfs/dbraw/zinc/76/94/18/380769418.db2.gz VPZTVTOURNTBGL-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CC[C@@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000554424507 380769425 /nfs/dbraw/zinc/76/94/25/380769425.db2.gz VPZTVTOURNTBGL-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)CC12CCOCC2 ZINC000335252639 208030502 /nfs/dbraw/zinc/03/05/02/208030502.db2.gz MARUUVMWRORYAQ-ZDUSSCGKSA-N 2 1 296.361 2.152 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)CC12CCOCC2 ZINC000335252639 208030507 /nfs/dbraw/zinc/03/05/07/208030507.db2.gz MARUUVMWRORYAQ-ZDUSSCGKSA-N 2 1 296.361 2.152 20 0 CEADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000335282133 208096569 /nfs/dbraw/zinc/09/65/69/208096569.db2.gz RUDBCURELINBTM-UKRRQHHQSA-N 2 1 271.364 2.300 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000335352734 208257157 /nfs/dbraw/zinc/25/71/57/208257157.db2.gz ZQWOPZSGYVPEPG-CYBMUJFWSA-N 2 1 265.426 2.273 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(NC2CC[NH+](C(C)C)CC2)n1 ZINC000363725694 220286872 /nfs/dbraw/zinc/28/68/72/220286872.db2.gz WEUBGNPIIRBWQR-UHFFFAOYSA-N 2 1 299.422 2.282 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]c(C(=O)OC)c2)C[C@H]1C ZINC000353746597 220296497 /nfs/dbraw/zinc/29/64/97/220296497.db2.gz MDYKVAGOTZFPHW-OCCSQVGLSA-N 2 1 293.411 2.106 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]c(C(=O)OC)c2)C[C@H]1C ZINC000353746597 220296498 /nfs/dbraw/zinc/29/64/98/220296498.db2.gz MDYKVAGOTZFPHW-OCCSQVGLSA-N 2 1 293.411 2.106 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]c(C(=O)OC)c2)C[C@H]1C ZINC000353746597 220296502 /nfs/dbraw/zinc/29/65/02/220296502.db2.gz MDYKVAGOTZFPHW-OCCSQVGLSA-N 2 1 293.411 2.106 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]c(C(=O)OC)c2)C[C@H]1C ZINC000353746597 220296505 /nfs/dbraw/zinc/29/65/05/220296505.db2.gz MDYKVAGOTZFPHW-OCCSQVGLSA-N 2 1 293.411 2.106 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261710479 296384644 /nfs/dbraw/zinc/38/46/44/296384644.db2.gz JDIXTWYLRQHWOR-QLFBSQMISA-N 2 1 295.471 2.131 20 0 CEADMP OC1(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000411402050 285233518 /nfs/dbraw/zinc/23/35/18/285233518.db2.gz RRNPKBHKEOSCQU-GOEBONIOSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000411402050 285233519 /nfs/dbraw/zinc/23/35/19/285233519.db2.gz RRNPKBHKEOSCQU-GOEBONIOSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000411402050 285233520 /nfs/dbraw/zinc/23/35/20/285233520.db2.gz RRNPKBHKEOSCQU-GOEBONIOSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000411402050 285233522 /nfs/dbraw/zinc/23/35/22/285233522.db2.gz RRNPKBHKEOSCQU-GOEBONIOSA-N 2 1 278.440 2.240 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)OC)[C@H](C)C1 ZINC000336783894 285369493 /nfs/dbraw/zinc/36/94/93/285369493.db2.gz IAGRLJWQHNALEZ-ZIAGYGMSSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(C)(C)OC)[C@H](C)C1 ZINC000336783894 285369494 /nfs/dbraw/zinc/36/94/94/285369494.db2.gz IAGRLJWQHNALEZ-ZIAGYGMSSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(C)(C)OC)[C@H](C)C1 ZINC000336783894 285369495 /nfs/dbraw/zinc/36/94/95/285369495.db2.gz IAGRLJWQHNALEZ-ZIAGYGMSSA-N 2 1 256.434 2.464 20 0 CEADMP O[C@H]1c2ccccc2C[C@H]1[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000305729004 285373341 /nfs/dbraw/zinc/37/33/41/285373341.db2.gz SUEKFKTXCXTLDW-MSOLQXFVSA-N 2 1 286.419 2.205 20 0 CEADMP COCc1cnc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000357371604 533263932 /nfs/dbraw/zinc/26/39/32/533263932.db2.gz RCRMFCOYXMORPJ-NSHDSACASA-N 2 1 294.424 2.220 20 0 CEADMP CO[C@](C)([C@H](C)[NH2+]CCCn1cc[nH+]c1C)C1CC1 ZINC000411968726 533355333 /nfs/dbraw/zinc/35/53/33/533355333.db2.gz KGMLAVKFKGIKAG-SWLSCSKDSA-N 2 1 265.401 2.375 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342091729 130305788 /nfs/dbraw/zinc/30/57/88/130305788.db2.gz CMGVMYKBHGRMGD-USXIJHARSA-N 2 1 287.407 2.204 20 0 CEADMP COCC[N@@H+]1[C@H](C)CN(c2nc3ccccc3[nH]2)C[C@@H]1C ZINC000301900242 394467433 /nfs/dbraw/zinc/46/74/33/394467433.db2.gz YXYYECBEGWJLAC-BETUJISGSA-N 2 1 288.395 2.108 20 0 CEADMP [NH3+]CCC[N@@H+](CC[C@H]1CCCO1)Cc1ccccc1 ZINC000230026709 394478023 /nfs/dbraw/zinc/47/80/23/394478023.db2.gz WVMDFXRQWQWHCJ-MRXNPFEDSA-N 2 1 262.397 2.407 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000246193884 394511266 /nfs/dbraw/zinc/51/12/66/394511266.db2.gz UMJSRGRMICMLKS-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252548213 394572046 /nfs/dbraw/zinc/57/20/46/394572046.db2.gz MIEXJTZITCVDFG-BARDWOONSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252548213 394572048 /nfs/dbraw/zinc/57/20/48/394572048.db2.gz MIEXJTZITCVDFG-BARDWOONSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)Nc1cc(NC2CC2)ncn1 ZINC000413311323 394523663 /nfs/dbraw/zinc/52/36/63/394523663.db2.gz OKGYBLOIQMRLHW-NSHDSACASA-N 2 1 263.389 2.192 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000355790435 394532707 /nfs/dbraw/zinc/53/27/07/394532707.db2.gz ZCCVINPGIVCHJC-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532498 394602047 /nfs/dbraw/zinc/60/20/47/394602047.db2.gz AKFJMZZUUUMALO-FGTMMUONSA-N 2 1 287.451 2.226 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261532498 394602051 /nfs/dbraw/zinc/60/20/51/394602051.db2.gz AKFJMZZUUUMALO-FGTMMUONSA-N 3 1 287.451 2.226 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532498 394602056 /nfs/dbraw/zinc/60/20/56/394602056.db2.gz AKFJMZZUUUMALO-FGTMMUONSA-N 3 1 287.451 2.226 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000356802064 394618303 /nfs/dbraw/zinc/61/83/03/394618303.db2.gz GHKOUGVGGYMHNL-HUUCEWRRSA-N 2 1 297.487 2.486 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000421873215 394623816 /nfs/dbraw/zinc/62/38/16/394623816.db2.gz HORMIWKWHDKULD-YWWDTZIBSA-N 2 1 279.472 2.322 20 0 CEADMP CN1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000421873215 394623817 /nfs/dbraw/zinc/62/38/17/394623817.db2.gz HORMIWKWHDKULD-YWWDTZIBSA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)(CN[C@@H]1CCC[C@H]1[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422709085 394732134 /nfs/dbraw/zinc/73/21/34/394732134.db2.gz YQOVYSRCTMQMCK-IAGOWNOFSA-N 2 1 287.451 2.293 20 0 CEADMP CC(C)(CN[C@@H]1CCC[C@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422709085 394732138 /nfs/dbraw/zinc/73/21/38/394732138.db2.gz YQOVYSRCTMQMCK-IAGOWNOFSA-N 2 1 287.451 2.293 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422713336 394734120 /nfs/dbraw/zinc/73/41/20/394734120.db2.gz JKTPVZWEGQUDIS-CVEARBPZSA-N 3 1 267.461 2.230 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@@H](C)O1 ZINC000414257443 394740081 /nfs/dbraw/zinc/74/00/81/394740081.db2.gz LEAGLHCUPQMJCG-JHJVBQTASA-N 2 1 252.402 2.016 20 0 CEADMP CC[C@@H](NCC[N@H+]1CCCC[C@H]1CC)[C@@H]1CCC[NH2+]1 ZINC000422725141 394741328 /nfs/dbraw/zinc/74/13/28/394741328.db2.gz AQUBEINXRMEZBP-OAGGEKHMSA-N 2 1 267.461 2.371 20 0 CEADMP CCc1ccc([C@H](C[NH2+][C@@H](C)C2C[NH2+]C2)N(C)C)cc1 ZINC000422727520 394743308 /nfs/dbraw/zinc/74/33/08/394743308.db2.gz CUSXZJRKCXMMIU-GUYCJALGSA-N 2 1 275.440 2.049 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc2c1OCC2 ZINC000357040583 394689953 /nfs/dbraw/zinc/68/99/53/394689953.db2.gz BWAIDPTYKYTAOO-SJORKVTESA-N 2 1 286.419 2.095 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414066519 394692381 /nfs/dbraw/zinc/69/23/81/394692381.db2.gz HCGMQTFUGYOCMQ-CHWSQXEVSA-N 2 1 287.411 2.321 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422734003 394746566 /nfs/dbraw/zinc/74/65/66/394746566.db2.gz BWVOEUTUIQDMAS-YQQAZPJKSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000422734003 394746570 /nfs/dbraw/zinc/74/65/70/394746570.db2.gz BWVOEUTUIQDMAS-YQQAZPJKSA-N 2 1 275.440 2.366 20 0 CEADMP CNC(=O)C[C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000269015470 394707754 /nfs/dbraw/zinc/70/77/54/394707754.db2.gz YEZICHXBAXGHKN-LSDHHAIUSA-N 2 1 291.439 2.011 20 0 CEADMP Fc1ccc(F)c2c1CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000334786578 394711104 /nfs/dbraw/zinc/71/11/04/394711104.db2.gz WBEAXYQMMHDZAO-LLVKDONJSA-N 2 1 266.335 2.323 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc3c2OCO3)C[C@H]1C[NH3+] ZINC000422561751 394711975 /nfs/dbraw/zinc/71/19/75/394711975.db2.gz NEEKOTGSXZFQEK-YRGRVCCFSA-N 2 1 276.380 2.221 20 0 CEADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000358344537 394718913 /nfs/dbraw/zinc/71/89/13/394718913.db2.gz KGEWIVOEWUFWSU-RBSFLKMASA-N 2 1 256.434 2.367 20 0 CEADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422698420 394725399 /nfs/dbraw/zinc/72/53/99/394725399.db2.gz ZFHNGVASIUSIRS-IRXDYDNUSA-N 3 1 275.440 2.498 20 0 CEADMP COc1ccc2c(c1)OCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC000414760171 394750952 /nfs/dbraw/zinc/75/09/52/394750952.db2.gz GMIVBPWLTVFXKT-ZIAGYGMSSA-N 2 1 290.407 2.278 20 0 CEADMP C[NH2+]CC[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414823729 394753554 /nfs/dbraw/zinc/75/35/54/394753554.db2.gz IXMUZCHMSBDYMX-JTQLQIEISA-N 2 1 260.303 2.445 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422746403 394755522 /nfs/dbraw/zinc/75/55/22/394755522.db2.gz WJIKOVHZIQRYEK-OWCLPIDISA-N 3 1 267.461 2.214 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422746403 394755523 /nfs/dbraw/zinc/75/55/23/394755523.db2.gz WJIKOVHZIQRYEK-OWCLPIDISA-N 2 1 267.461 2.214 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422746403 394755524 /nfs/dbraw/zinc/75/55/24/394755524.db2.gz WJIKOVHZIQRYEK-OWCLPIDISA-N 2 1 267.461 2.214 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000422748848 394757593 /nfs/dbraw/zinc/75/75/93/394757593.db2.gz WNMYYSGVWSXZLU-RYUDHWBXSA-N 2 1 267.392 2.103 20 0 CEADMP CC[C@@H]([NH2+]CCOc1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422750532 394758389 /nfs/dbraw/zinc/75/83/89/394758389.db2.gz DFOZEPHAQRCLFR-CVEARBPZSA-N 2 1 262.397 2.494 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1cccs1)[NH+](C)C ZINC000422750823 394758657 /nfs/dbraw/zinc/75/86/57/394758657.db2.gz BUUBREZOTLQZPE-HZSPNIEDSA-N 2 1 281.469 2.329 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422750489 394758875 /nfs/dbraw/zinc/75/88/75/394758875.db2.gz BBVFVEWPRRQWDE-LXTVHRRPSA-N 2 1 267.461 2.212 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000414837692 394762394 /nfs/dbraw/zinc/76/23/94/394762394.db2.gz UXPOFDNFDUVPJY-BPUTZDHNSA-N 2 1 261.413 2.006 20 0 CEADMP COc1ccc(C[NH2+][C@H](C[NH3+])CC(C)C)cc1OC ZINC000414841478 394765392 /nfs/dbraw/zinc/76/53/92/394765392.db2.gz NEPIEUKSYRVLNJ-ZDUSSCGKSA-N 2 1 266.385 2.167 20 0 CEADMP CC[C@H]([NH2+]CCc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000422767760 394770157 /nfs/dbraw/zinc/77/01/57/394770157.db2.gz RMCZFQFCXNICCO-GJZGRUSLSA-N 2 1 250.361 2.488 20 0 CEADMP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000422840772 394823190 /nfs/dbraw/zinc/82/31/90/394823190.db2.gz UPTLJRRWLOSLDD-UHFFFAOYSA-N 2 1 296.374 2.046 20 0 CEADMP CCc1cccc(F)c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414860469 394774514 /nfs/dbraw/zinc/77/45/14/394774514.db2.gz VOTHTLIJUXRADU-LBPRGKRZSA-N 2 1 250.361 2.477 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000414863331 394776712 /nfs/dbraw/zinc/77/67/12/394776712.db2.gz IKONGGTZBIAXRB-ZFWWWQNUSA-N 2 1 262.397 2.358 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1cnc(-c2ccc(C)o2)s1 ZINC000414863977 394776845 /nfs/dbraw/zinc/77/68/45/394776845.db2.gz YIWYHJPDOVRPNL-UHFFFAOYSA-N 2 1 265.382 2.411 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000422777997 394777589 /nfs/dbraw/zinc/77/75/89/394777589.db2.gz DHMHIAVUGZYFCR-AEFFLSMTSA-N 2 1 289.467 2.486 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000422777997 394777591 /nfs/dbraw/zinc/77/75/91/394777591.db2.gz DHMHIAVUGZYFCR-AEFFLSMTSA-N 3 1 289.467 2.486 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000422777997 394777594 /nfs/dbraw/zinc/77/75/94/394777594.db2.gz DHMHIAVUGZYFCR-AEFFLSMTSA-N 3 1 289.467 2.486 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@H]2CCCCN2)CC1 ZINC000422779282 394778326 /nfs/dbraw/zinc/77/83/26/394778326.db2.gz FSMSAEZPMAHZOW-GDBMZVCRSA-N 2 1 267.461 2.229 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)n1-c1ccccc1 ZINC000414955849 394823704 /nfs/dbraw/zinc/82/37/04/394823704.db2.gz UUMCDAUGIBKZHN-DZGCQCFKSA-N 2 1 284.407 2.411 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414872091 394781046 /nfs/dbraw/zinc/78/10/46/394781046.db2.gz FFCSFHDQIMAWEQ-AWEZNQCLSA-N 2 1 293.430 2.017 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCN(C)c3ccccc3C2)CC[NH2+]1 ZINC000335628938 394783604 /nfs/dbraw/zinc/78/36/04/394783604.db2.gz RYJYAAROWOQUKK-HUUCEWRRSA-N 2 1 273.424 2.327 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422785965 394784055 /nfs/dbraw/zinc/78/40/55/394784055.db2.gz PWNKAXBJZNPSKH-DJIMGWMZSA-N 2 1 276.424 2.273 20 0 CEADMP C[C@H](C[NH3+])CNCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414880986 394785631 /nfs/dbraw/zinc/78/56/31/394785631.db2.gz RMCUJQUWOUIIBO-OAHLLOKOSA-N 2 1 277.456 2.329 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414880986 394785634 /nfs/dbraw/zinc/78/56/34/394785634.db2.gz RMCUJQUWOUIIBO-OAHLLOKOSA-N 3 1 277.456 2.329 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414880986 394785637 /nfs/dbraw/zinc/78/56/37/394785637.db2.gz RMCUJQUWOUIIBO-OAHLLOKOSA-N 3 1 277.456 2.329 20 0 CEADMP COc1ccc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c(OC)c1 ZINC000422790283 394787719 /nfs/dbraw/zinc/78/77/19/394787719.db2.gz XNIAXFKKFJOONE-CZUORRHYSA-N 2 1 292.423 2.367 20 0 CEADMP [NH3+]C1(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000414886434 394789673 /nfs/dbraw/zinc/78/96/73/394789673.db2.gz YDSYRVYPRPFNKP-OKZBNKHCSA-N 2 1 299.462 2.368 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1ccc(F)c(Br)c1)C1CC1 ZINC000414894381 394792467 /nfs/dbraw/zinc/79/24/67/394792467.db2.gz LGSCTADCKWKMBF-GFCCVEGCSA-N 2 1 287.176 2.415 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)C1CC1 ZINC000414895332 394793609 /nfs/dbraw/zinc/79/36/09/394793609.db2.gz NCWWMNSXKKLFKP-DLBZAZTESA-N 2 1 290.407 2.071 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422797242 394793953 /nfs/dbraw/zinc/79/39/53/394793953.db2.gz LRHDLNPDRGEASV-DJIMGWMZSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@]1(C[NH2+]Cc2cc(F)cc(F)c2)CCC[NH2+]C1 ZINC000414900284 394795540 /nfs/dbraw/zinc/79/55/40/394795540.db2.gz IJIWKYZFMFZXTK-AWEZNQCLSA-N 2 1 254.324 2.444 20 0 CEADMP C[C@@H](NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422800714 394795955 /nfs/dbraw/zinc/79/59/55/394795955.db2.gz CREHYVRIEKNHON-XBFCOCLRSA-N 2 1 267.442 2.081 20 0 CEADMP COc1cc2c(cc1C[NH2+][C@@H]1CCC[NH2+]CC1)O[C@H](C)C2 ZINC000414911356 394801177 /nfs/dbraw/zinc/80/11/77/394801177.db2.gz GOVWHBDDWUMSLF-IUODEOHRSA-N 2 1 290.407 2.250 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414916811 394802732 /nfs/dbraw/zinc/80/27/32/394802732.db2.gz QLMAOCNHOXXICI-OAHLLOKOSA-N 2 1 264.417 2.252 20 0 CEADMP COCC1(C[NH+]2CCC3(CCC[N@H+]3C)CC2)CCC1 ZINC000361348184 394825156 /nfs/dbraw/zinc/82/51/56/394825156.db2.gz IGFJWFDWAWNPSH-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP C[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1c[nH+]ccc1N ZINC000422811474 394803932 /nfs/dbraw/zinc/80/39/32/394803932.db2.gz WDDBLEFPXVVKRH-CQSZACIVSA-N 2 1 296.418 2.203 20 0 CEADMP CN(C)C(=O)c1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422812870 394805247 /nfs/dbraw/zinc/80/52/47/394805247.db2.gz XCZOBVZTWAFLKZ-CVEARBPZSA-N 2 1 289.423 2.138 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1OC(F)F ZINC000422814543 394806313 /nfs/dbraw/zinc/80/63/13/394806313.db2.gz VIMJSEHWIWXNME-GHMZBOCLSA-N 2 1 286.322 2.266 20 0 CEADMP Cc1c([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)cnn1C ZINC000360776902 394807290 /nfs/dbraw/zinc/80/72/90/394807290.db2.gz HXAPZUNZPANSSI-GDBMZVCRSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1c([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cnn1C ZINC000360776902 394807296 /nfs/dbraw/zinc/80/72/96/394807296.db2.gz HXAPZUNZPANSSI-GDBMZVCRSA-N 2 1 276.428 2.350 20 0 CEADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000414926801 394807167 /nfs/dbraw/zinc/80/71/67/394807167.db2.gz KZBNGKOGFAARHE-QWHCGFSZSA-N 2 1 277.412 2.464 20 0 CEADMP Cc1c([C@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)cnn1C ZINC000360776902 394807301 /nfs/dbraw/zinc/80/73/01/394807301.db2.gz HXAPZUNZPANSSI-GDBMZVCRSA-N 2 1 276.428 2.350 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nccn2Cc2ccccc2)C1 ZINC000414932349 394809688 /nfs/dbraw/zinc/80/96/88/394809688.db2.gz VOQQSOVPJNRQGV-CVEARBPZSA-N 2 1 284.407 2.291 20 0 CEADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000414938222 394812100 /nfs/dbraw/zinc/81/21/00/394812100.db2.gz DUZXLDKJZNFOKJ-ZJUUUORDSA-N 2 1 299.802 2.003 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000422825438 394814198 /nfs/dbraw/zinc/81/41/98/394814198.db2.gz AIMOCZJPBNHPTC-YOEHRIQHSA-N 2 1 298.434 2.196 20 0 CEADMP C[C@@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422830151 394816902 /nfs/dbraw/zinc/81/69/02/394816902.db2.gz IFFKYGFMHOLTSH-NJAFHUGGSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC=CCC2)CCN1C1CC[NH+](C)CC1 ZINC000335998296 394817087 /nfs/dbraw/zinc/81/70/87/394817087.db2.gz WCPOVXFGUBOWKP-IAGOWNOFSA-N 2 1 291.483 2.443 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1nccn1-c1ccccc1 ZINC000276997041 394817605 /nfs/dbraw/zinc/81/76/05/394817605.db2.gz XYXJISDAVKPZIS-UHFFFAOYSA-N 2 1 281.363 2.167 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccccn3)s2)CC[NH2+]1 ZINC000414949438 394819055 /nfs/dbraw/zinc/81/90/55/394819055.db2.gz NLCLDAAEGPRQSU-NEPJUHHUSA-N 2 1 288.420 2.435 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422738071 394749781 /nfs/dbraw/zinc/74/97/81/394749781.db2.gz JCQWRKHRXPXFFR-HUUCEWRRSA-N 3 1 255.450 2.358 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422738071 394749783 /nfs/dbraw/zinc/74/97/83/394749783.db2.gz JCQWRKHRXPXFFR-HUUCEWRRSA-N 3 1 255.450 2.358 20 0 CEADMP COc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc(OC)c1 ZINC000415046655 394862946 /nfs/dbraw/zinc/86/29/46/394862946.db2.gz CYXMBJWAYBASQZ-AWEZNQCLSA-N 2 1 266.385 2.167 20 0 CEADMP COCCOc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000415054917 394866922 /nfs/dbraw/zinc/86/69/22/394866922.db2.gz OBRLYOBLRWSIHH-HNNXBMFYSA-N 2 1 280.412 2.175 20 0 CEADMP C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)[C@H]1CCC[NH2+]1 ZINC000422985466 394873898 /nfs/dbraw/zinc/87/38/98/394873898.db2.gz DYJNOXCOETZXLY-LLLHUVSDSA-N 2 1 274.408 2.494 20 0 CEADMP C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)[C@H]1CCC[NH2+]1 ZINC000422985472 394874060 /nfs/dbraw/zinc/87/40/60/394874060.db2.gz DYJNOXCOETZXLY-SVGFKBNWSA-N 2 1 274.408 2.494 20 0 CEADMP CC(C)C[C@H](C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000415072071 394875588 /nfs/dbraw/zinc/87/55/88/394875588.db2.gz VGSWVNAKBWZUPX-CVEARBPZSA-N 2 1 264.413 2.068 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422992130 394876002 /nfs/dbraw/zinc/87/60/02/394876002.db2.gz BYSWQJLQRFAFJQ-BZUAXINKSA-N 3 1 267.461 2.214 20 0 CEADMP CC[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCCO1 ZINC000336804249 394877185 /nfs/dbraw/zinc/87/71/85/394877185.db2.gz SYSRZGDQQUVYOQ-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCCO1 ZINC000336804249 394877189 /nfs/dbraw/zinc/87/71/89/394877189.db2.gz SYSRZGDQQUVYOQ-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000415081883 394880076 /nfs/dbraw/zinc/88/00/76/394880076.db2.gz COLNYDBNLYTKTD-VXGBXAGGSA-N 2 1 296.386 2.493 20 0 CEADMP Cc1ccsc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423012485 394880977 /nfs/dbraw/zinc/88/09/77/394880977.db2.gz DEMARLLJYQWDIP-KFWWJZLASA-N 2 1 294.464 2.346 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422860504 394834853 /nfs/dbraw/zinc/83/48/53/394834853.db2.gz MOZCOUXBJIXSOH-XYPHTWIQSA-N 2 1 273.424 2.453 20 0 CEADMP COCCOc1cc(C)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415085392 394883016 /nfs/dbraw/zinc/88/30/16/394883016.db2.gz QCSRQYJKAAYJOW-INIZCTEOSA-N 2 1 292.423 2.252 20 0 CEADMP CC[N@@H+](CCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])C1CC1 ZINC000422876286 394843940 /nfs/dbraw/zinc/84/39/40/394843940.db2.gz FLMKBQZIOPKHGD-PBHICJAKSA-N 2 1 275.440 2.019 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000415012273 394848501 /nfs/dbraw/zinc/84/85/01/394848501.db2.gz SDARRAQJXLPPRG-BDAKNGLRSA-N 2 1 262.275 2.411 20 0 CEADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)CCC[NH3+])sc2C1 ZINC000415019762 394851426 /nfs/dbraw/zinc/85/14/26/394851426.db2.gz ITENBVMJZCZPSG-GFCCVEGCSA-N 3 1 296.484 2.127 20 0 CEADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)CCC[NH3+])sc2C1 ZINC000415019762 394851428 /nfs/dbraw/zinc/85/14/28/394851428.db2.gz ITENBVMJZCZPSG-GFCCVEGCSA-N 3 1 296.484 2.127 20 0 CEADMP COCCC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCCC1 ZINC000422889637 394851995 /nfs/dbraw/zinc/85/19/95/394851995.db2.gz QAHCOUUZQLOQRL-KBPBESRZSA-N 2 1 254.418 2.171 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000422889697 394852082 /nfs/dbraw/zinc/85/20/82/394852082.db2.gz QFBCSHUCGQUBJC-RBSFLKMASA-N 3 1 255.450 2.356 20 0 CEADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000422895488 394853961 /nfs/dbraw/zinc/85/39/61/394853961.db2.gz WEOGJHSTTWBKMG-RBSFLKMASA-N 2 1 263.360 2.231 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000336432206 394855519 /nfs/dbraw/zinc/85/55/19/394855519.db2.gz ZDBQJIDSPXVUEF-RDJZCZTQSA-N 2 1 274.408 2.065 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000336432206 394855522 /nfs/dbraw/zinc/85/55/22/394855522.db2.gz ZDBQJIDSPXVUEF-RDJZCZTQSA-N 2 1 274.408 2.065 20 0 CEADMP CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422903143 394856039 /nfs/dbraw/zinc/85/60/39/394856039.db2.gz FCIOCFGQRLWPDG-CZUORRHYSA-N 2 1 290.455 2.374 20 0 CEADMP Cc1oc2ccccc2c1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415042483 394860581 /nfs/dbraw/zinc/86/05/81/394860581.db2.gz QNTLBRUTTJZQHZ-CYBMUJFWSA-N 2 1 274.364 2.209 20 0 CEADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415044909 394861879 /nfs/dbraw/zinc/86/18/79/394861879.db2.gz CCQVSRUQSXUMNB-ZBFHGGJFSA-N 2 1 295.471 2.275 20 0 CEADMP CC[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423237235 394888049 /nfs/dbraw/zinc/88/80/49/394888049.db2.gz PSQUNOHBYWXYFV-HZPDHXFCSA-N 2 1 261.413 2.021 20 0 CEADMP CC(C)[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000130532899 394889825 /nfs/dbraw/zinc/88/98/25/394889825.db2.gz VGWHHTCEPKHDKP-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH2+]CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423311102 394889961 /nfs/dbraw/zinc/88/99/61/394889961.db2.gz PEHTZOQDVJKFAC-IAGOWNOFSA-N 2 1 275.440 2.411 20 0 CEADMP COc1cc2c(cc1OC)[C@H]([NH2+]CC1([NH3+])CCC1)CC2 ZINC000423317123 394890086 /nfs/dbraw/zinc/89/00/86/394890086.db2.gz CHKOHXOFOBZEBY-CYBMUJFWSA-N 2 1 276.380 2.162 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCC23CCC3)CC1 ZINC000337387202 394890173 /nfs/dbraw/zinc/89/01/73/394890173.db2.gz INVDQGYYHQYTTH-INIZCTEOSA-N 2 1 279.472 2.182 20 0 CEADMP CCCCOc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415103612 394891407 /nfs/dbraw/zinc/89/14/07/394891407.db2.gz CODNPQZZWMMEDY-KRWDZBQOSA-N 2 1 292.423 2.415 20 0 CEADMP CCCCOc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415103612 394891410 /nfs/dbraw/zinc/89/14/10/394891410.db2.gz CODNPQZZWMMEDY-KRWDZBQOSA-N 2 1 292.423 2.415 20 0 CEADMP Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc[nH+]1 ZINC000364360759 394893771 /nfs/dbraw/zinc/89/37/71/394893771.db2.gz LXCWZLBSAYCUNZ-CWRNSKLLSA-N 2 1 257.381 2.311 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1O ZINC000423348112 394895565 /nfs/dbraw/zinc/89/55/65/394895565.db2.gz SMSMCPWTOKBWQL-WBMJQRKESA-N 2 1 278.396 2.441 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1O ZINC000423348110 394895671 /nfs/dbraw/zinc/89/56/71/394895671.db2.gz SMSMCPWTOKBWQL-LRDDRELGSA-N 2 1 278.396 2.441 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423359188 394900114 /nfs/dbraw/zinc/90/01/14/394900114.db2.gz CVBGAIOOWVOPRT-NWANDNLSSA-N 2 1 262.397 2.307 20 0 CEADMP COCC1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CCC1 ZINC000282080378 394907477 /nfs/dbraw/zinc/90/74/77/394907477.db2.gz RCUAPJJMXFMIEB-UHFFFAOYSA-N 2 1 263.385 2.054 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)C1CCOCC1 ZINC000423385895 394909474 /nfs/dbraw/zinc/90/94/74/394909474.db2.gz KYZDFGSUTHRGHK-TZMCWYRMSA-N 2 1 254.418 2.169 20 0 CEADMP CC(C)OCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000364721533 394915021 /nfs/dbraw/zinc/91/50/21/394915021.db2.gz KRQNYXOJQFHBRR-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)OCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000364721533 394915027 /nfs/dbraw/zinc/91/50/27/394915027.db2.gz KRQNYXOJQFHBRR-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP C[C@@H](CCO)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000365221455 394921225 /nfs/dbraw/zinc/92/12/25/394921225.db2.gz PISZSRVIDHJIBT-HNSVSWJLSA-N 2 1 280.456 2.390 20 0 CEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000423443248 394922212 /nfs/dbraw/zinc/92/22/12/394922212.db2.gz VOYMJDGPKGIXEJ-HWNAMQAFSA-N 2 1 286.297 2.454 20 0 CEADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]([NH3+])CC)CCC2 ZINC000423460047 394926365 /nfs/dbraw/zinc/92/63/65/394926365.db2.gz IMLHLBMHYUUYNJ-UWVGGRQHSA-N 2 1 253.415 2.410 20 0 CEADMP Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000423472226 394927201 /nfs/dbraw/zinc/92/72/01/394927201.db2.gz HWGHEHLKYODWBM-NEPJUHHUSA-N 2 1 269.339 2.285 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000423510890 394941135 /nfs/dbraw/zinc/94/11/35/394941135.db2.gz SQNDCKFRMXTNOW-QIIPPGSGSA-N 2 1 287.451 2.464 20 0 CEADMP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423519562 394942764 /nfs/dbraw/zinc/94/27/64/394942764.db2.gz PZQCWHZAXLBCJG-VNQPRFMTSA-N 3 1 261.413 2.197 20 0 CEADMP CC(C)(C)c1ncc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC000284410920 394943985 /nfs/dbraw/zinc/94/39/85/394943985.db2.gz QMXFCSBVSLIEOJ-CYBMUJFWSA-N 2 1 299.422 2.323 20 0 CEADMP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CCCCC1 ZINC000423527245 394946189 /nfs/dbraw/zinc/94/61/89/394946189.db2.gz VNUHWKINKLPXRR-HOTGVXAUSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423568594 394952882 /nfs/dbraw/zinc/95/28/82/394952882.db2.gz VQRGUPMVPIGYJI-GJZGRUSLSA-N 2 1 289.423 2.160 20 0 CEADMP Cn1cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340190823 394980743 /nfs/dbraw/zinc/98/07/43/394980743.db2.gz MCKKVPXQULBYNE-MSOLQXFVSA-N 2 1 298.434 2.388 20 0 CEADMP Cn1cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340190823 394980747 /nfs/dbraw/zinc/98/07/47/394980747.db2.gz MCKKVPXQULBYNE-MSOLQXFVSA-N 2 1 298.434 2.388 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C)COC2)C[C@H]1c1ccccc1 ZINC000340232854 394981760 /nfs/dbraw/zinc/98/17/60/394981760.db2.gz BCBYWYKBDNQGDM-CVEARBPZSA-N 2 1 274.408 2.448 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)COC2)C[C@H]1c1ccccc1 ZINC000340232854 394981763 /nfs/dbraw/zinc/98/17/63/394981763.db2.gz BCBYWYKBDNQGDM-CVEARBPZSA-N 2 1 274.408 2.448 20 0 CEADMP CO[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340366631 394984244 /nfs/dbraw/zinc/98/42/44/394984244.db2.gz TYLWHBXRLLZMGY-KBMXLJTQSA-N 2 1 262.397 2.446 20 0 CEADMP CO[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340366631 394984248 /nfs/dbraw/zinc/98/42/48/394984248.db2.gz TYLWHBXRLLZMGY-KBMXLJTQSA-N 2 1 262.397 2.446 20 0 CEADMP CC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340397260 394984951 /nfs/dbraw/zinc/98/49/51/394984951.db2.gz YSAQHRPZQHVSEO-HRCADAONSA-N 2 1 262.397 2.182 20 0 CEADMP CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340397260 394984952 /nfs/dbraw/zinc/98/49/52/394984952.db2.gz YSAQHRPZQHVSEO-HRCADAONSA-N 2 1 262.397 2.182 20 0 CEADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCCC2)C1)[NH+](C)C ZINC000371211622 395026299 /nfs/dbraw/zinc/02/62/99/395026299.db2.gz BILNZWOCHRPLAZ-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415917891 394977800 /nfs/dbraw/zinc/97/78/00/394977800.db2.gz JVOJYJFPVDMMLY-UHFFFAOYSA-N 2 1 292.427 2.259 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2C=CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343978696 395047404 /nfs/dbraw/zinc/04/74/04/395047404.db2.gz KUBBBINRWSNUNY-IXDOHACOSA-N 2 1 277.456 2.053 20 0 CEADMP COc1ccc(CNC[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000436229571 395100115 /nfs/dbraw/zinc/10/01/15/395100115.db2.gz FCWRSMHAEQQDLA-OAHLLOKOSA-N 2 1 277.412 2.300 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000436229571 395100120 /nfs/dbraw/zinc/10/01/20/395100120.db2.gz FCWRSMHAEQQDLA-OAHLLOKOSA-N 2 1 277.412 2.300 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000436229571 395100122 /nfs/dbraw/zinc/10/01/22/395100122.db2.gz FCWRSMHAEQQDLA-OAHLLOKOSA-N 2 1 277.412 2.300 20 0 CEADMP COCC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000161827862 395066611 /nfs/dbraw/zinc/06/66/11/395066611.db2.gz SSYKQMXIWWDLLY-UHFFFAOYSA-N 2 1 265.401 2.330 20 0 CEADMP CO[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C(F)(F)F ZINC000345475023 395067615 /nfs/dbraw/zinc/06/76/15/395067615.db2.gz BMADGRZVFCNUBN-IRCOFANPSA-N 2 1 282.350 2.272 20 0 CEADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)s1 ZINC000425932580 395070603 /nfs/dbraw/zinc/07/06/03/395070603.db2.gz QQMKKUHYXPOYCA-VXGBXAGGSA-N 2 1 299.484 2.489 20 0 CEADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)CCC(F)(F)F ZINC000426041700 395072881 /nfs/dbraw/zinc/07/28/81/395072881.db2.gz GYJMNBHEMBHHEI-CHWSQXEVSA-N 2 1 295.393 2.191 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CC[C@H](Oc2ccncc2)C1 ZINC000163275357 395083328 /nfs/dbraw/zinc/08/33/28/395083328.db2.gz QHKFBCQAYFIMTJ-HOCLYGCPSA-N 2 1 275.396 2.019 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Oc2ccncc2)C1 ZINC000163275357 395083332 /nfs/dbraw/zinc/08/33/32/395083332.db2.gz QHKFBCQAYFIMTJ-HOCLYGCPSA-N 2 1 275.396 2.019 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Oc2ccncc2)C1 ZINC000163275357 395083334 /nfs/dbraw/zinc/08/33/34/395083334.db2.gz QHKFBCQAYFIMTJ-HOCLYGCPSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000163275357 395083337 /nfs/dbraw/zinc/08/33/37/395083337.db2.gz QHKFBCQAYFIMTJ-HOCLYGCPSA-N 3 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000163275357 395083340 /nfs/dbraw/zinc/08/33/40/395083340.db2.gz QHKFBCQAYFIMTJ-HOCLYGCPSA-N 3 1 275.396 2.019 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000427122203 395093139 /nfs/dbraw/zinc/09/31/39/395093139.db2.gz AQWNFFKEDHIVJM-HZPDHXFCSA-N 2 1 259.397 2.006 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCO1 ZINC000157701617 395035740 /nfs/dbraw/zinc/03/57/40/395035740.db2.gz KGGVGQLGEIZUEG-TUVASFSCSA-N 2 1 254.418 2.262 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000157701617 395035741 /nfs/dbraw/zinc/03/57/41/395035741.db2.gz KGGVGQLGEIZUEG-TUVASFSCSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@@H]1C[C@@H](NCc2cn(C)nc2C(C)(C)C)CC[N@H+]1C ZINC000158146931 395039508 /nfs/dbraw/zinc/03/95/08/395039508.db2.gz MIZXHAXOESJDIZ-OCCSQVGLSA-N 2 1 278.444 2.290 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C(C)(C)C)CCN1C ZINC000158146931 395039511 /nfs/dbraw/zinc/03/95/11/395039511.db2.gz MIZXHAXOESJDIZ-OCCSQVGLSA-N 2 1 278.444 2.290 20 0 CEADMP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCC[N@H+]1C ZINC000427469342 395114910 /nfs/dbraw/zinc/11/49/10/395114910.db2.gz LMWMGWYNNIIAAV-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000494565207 395122709 /nfs/dbraw/zinc/12/27/09/395122709.db2.gz MNLQVBIJPQQSLV-ZIAGYGMSSA-N 2 1 251.349 2.183 20 0 CEADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)OC1CCCCCC1 ZINC000428034744 395133653 /nfs/dbraw/zinc/13/36/53/395133653.db2.gz OLFRHPNCXVMPRW-HOCLYGCPSA-N 2 1 266.429 2.410 20 0 CEADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)OC1CCCCCC1 ZINC000428034744 395133658 /nfs/dbraw/zinc/13/36/58/395133658.db2.gz OLFRHPNCXVMPRW-HOCLYGCPSA-N 2 1 266.429 2.410 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCn3cc(C)nc32)[C@@H](C)C1 ZINC000347416449 395123642 /nfs/dbraw/zinc/12/36/42/395123642.db2.gz IOKYDIRFYXVNKO-IMJJTQAJSA-N 2 1 290.455 2.389 20 0 CEADMP CC[C@H](C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)[NH+](CC)CC ZINC000346780884 395107483 /nfs/dbraw/zinc/10/74/83/395107483.db2.gz XACKKHAVUZQYJE-QLFBSQMISA-N 2 1 283.460 2.048 20 0 CEADMP CCn1cncc1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000417863681 395151200 /nfs/dbraw/zinc/15/12/00/395151200.db2.gz GGXNGDYIKUPHBO-GJZGRUSLSA-N 2 1 278.444 2.361 20 0 CEADMP CC(C)C[NH+]1CCC(N[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000177836168 395157688 /nfs/dbraw/zinc/15/76/88/395157688.db2.gz PLMOQQYNAHRGDI-INMHGKMJSA-N 2 1 281.488 2.425 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000380895734 395170010 /nfs/dbraw/zinc/17/00/10/395170010.db2.gz MJKRFCJVIPFXAS-LUKYLMHMSA-N 2 1 274.408 2.433 20 0 CEADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000438999351 395243764 /nfs/dbraw/zinc/24/37/64/395243764.db2.gz KIDNXIOFTJZVGO-DLBZAZTESA-N 2 1 281.488 2.428 20 0 CEADMP CC1(C)CN(C[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000382760740 395183811 /nfs/dbraw/zinc/18/38/11/395183811.db2.gz JHMNTFOLBJQPIB-QGZVFWFLSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000519639128 395201017 /nfs/dbraw/zinc/20/10/17/395201017.db2.gz FOGJGQLYJIJMLH-HZMBPMFUSA-N 2 1 287.407 2.304 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000394272202 395204834 /nfs/dbraw/zinc/20/48/34/395204834.db2.gz ACFSVNISFVPAQX-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000519702756 395211006 /nfs/dbraw/zinc/21/10/06/395211006.db2.gz DHMDTNNUDLFZQL-KOLCDFICSA-N 2 1 251.399 2.190 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000519702756 395211009 /nfs/dbraw/zinc/21/10/09/395211009.db2.gz DHMDTNNUDLFZQL-KOLCDFICSA-N 2 1 251.399 2.190 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CC[C@@H]1CCOC1 ZINC000438200060 395211696 /nfs/dbraw/zinc/21/16/96/395211696.db2.gz HISJZCJPSQBDDM-QLFBSQMISA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CC[C@@H]1CCOC1 ZINC000438200060 395211702 /nfs/dbraw/zinc/21/17/02/395211702.db2.gz HISJZCJPSQBDDM-QLFBSQMISA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000397282876 395221203 /nfs/dbraw/zinc/22/12/03/395221203.db2.gz SHXDGPXMIPDLFJ-JKIFEVAISA-N 2 1 288.435 2.469 20 0 CEADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420323884 395325540 /nfs/dbraw/zinc/32/55/40/395325540.db2.gz UNYASBCQZOPSIB-HUUCEWRRSA-N 2 1 299.422 2.260 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000420282709 395293674 /nfs/dbraw/zinc/29/36/74/395293674.db2.gz BFSGSYZFFYJNHJ-UHFFFAOYSA-N 2 1 299.422 2.089 20 0 CEADMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[NH+](CC)CC ZINC000434418778 395297593 /nfs/dbraw/zinc/29/75/93/395297593.db2.gz FJRNPKIKTYJLKK-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000420295776 395301974 /nfs/dbraw/zinc/30/19/74/395301974.db2.gz CRXAWKNQQZVNOP-WMLDXEAASA-N 2 1 258.409 2.475 20 0 CEADMP CCCO[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420297170 395302470 /nfs/dbraw/zinc/30/24/70/395302470.db2.gz FRFVGTUAUXBGIB-HUUCEWRRSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420300619 395305668 /nfs/dbraw/zinc/30/56/68/395305668.db2.gz CULWBILLJFRFAZ-VHSXEESVSA-N 2 1 273.302 2.270 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420300619 395305670 /nfs/dbraw/zinc/30/56/70/395305670.db2.gz CULWBILLJFRFAZ-VHSXEESVSA-N 2 1 273.302 2.270 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000353800214 395308913 /nfs/dbraw/zinc/30/89/13/395308913.db2.gz QMSFQKIVKUBKAY-JYJNAYRXSA-N 2 1 295.471 2.238 20 0 CEADMP CC[N@H+](Cc1ccc(C(=O)OC)s1)[C@@H]1CCC[NH2+]CC1 ZINC000420304190 395309348 /nfs/dbraw/zinc/30/93/48/395309348.db2.gz DOAJSUBIQFPRCF-GFCCVEGCSA-N 2 1 296.436 2.499 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)OC)s1)[C@@H]1CCC[NH2+]CC1 ZINC000420304190 395309353 /nfs/dbraw/zinc/30/93/53/395309353.db2.gz DOAJSUBIQFPRCF-GFCCVEGCSA-N 2 1 296.436 2.499 20 0 CEADMP c1nn(-c2ccccc2)c2c1C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420305938 395311049 /nfs/dbraw/zinc/31/10/49/395311049.db2.gz QEAUZFCNYDWECW-HNNXBMFYSA-N 2 1 296.418 2.230 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353929503 395311416 /nfs/dbraw/zinc/31/14/16/395311416.db2.gz MUUXWYFOHCUNQG-VGWMRTNUSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420311527 395315212 /nfs/dbraw/zinc/31/52/12/395315212.db2.gz HDMKXJVQHUYXFP-NVXWUHKLSA-N 3 1 279.472 2.040 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420311527 395315216 /nfs/dbraw/zinc/31/52/16/395315216.db2.gz HDMKXJVQHUYXFP-NVXWUHKLSA-N 3 1 279.472 2.040 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420311527 395315218 /nfs/dbraw/zinc/31/52/18/395315218.db2.gz HDMKXJVQHUYXFP-NVXWUHKLSA-N 2 1 279.472 2.040 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000420312028 395317030 /nfs/dbraw/zinc/31/70/30/395317030.db2.gz HPIWIOBYSOCBFY-IAGOWNOFSA-N 3 1 279.472 2.326 20 0 CEADMP C[N@H+](Cc1cccc(-n2cccn2)c1)[C@H](C[NH3+])C1CC1 ZINC000420320074 395321653 /nfs/dbraw/zinc/32/16/53/395321653.db2.gz SPCNEHSTSLXZOC-MRXNPFEDSA-N 2 1 270.380 2.041 20 0 CEADMP C[N@@H+](Cc1cccc(-n2cccn2)c1)[C@H](C[NH3+])C1CC1 ZINC000420320074 395321655 /nfs/dbraw/zinc/32/16/55/395321655.db2.gz SPCNEHSTSLXZOC-MRXNPFEDSA-N 2 1 270.380 2.041 20 0 CEADMP CC(C)OC(=O)CC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000420321309 395323878 /nfs/dbraw/zinc/32/38/78/395323878.db2.gz ZWPOTUIIZCLEPR-UHFFFAOYSA-N 2 1 278.396 2.179 20 0 CEADMP c1csc([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420320897 395323996 /nfs/dbraw/zinc/32/39/96/395323996.db2.gz QSQIMIGSOYTJNH-CHWSQXEVSA-N 2 1 265.426 2.322 20 0 CEADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000352905185 395275736 /nfs/dbraw/zinc/27/57/36/395275736.db2.gz TWCCBKCHIWTZTD-BMFZPTHFSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000352905185 395275738 /nfs/dbraw/zinc/27/57/38/395275738.db2.gz TWCCBKCHIWTZTD-BMFZPTHFSA-N 2 1 281.488 2.425 20 0 CEADMP COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1CCOCC[NH3+] ZINC000420366466 395354012 /nfs/dbraw/zinc/35/40/12/395354012.db2.gz FWLPQWAHTFWTFU-GOEBONIOSA-N 2 1 292.423 2.444 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)o1 ZINC000435373106 395367279 /nfs/dbraw/zinc/36/72/79/395367279.db2.gz LXZWXJKIMDBXRR-PWSUYJOCSA-N 2 1 274.368 2.147 20 0 CEADMP COCCCCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420393938 395369206 /nfs/dbraw/zinc/36/92/06/395369206.db2.gz KFGFAGMFNKCDMO-LSDHHAIUSA-N 2 1 254.418 2.267 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(C)s1 ZINC000420405842 395372753 /nfs/dbraw/zinc/37/27/53/395372753.db2.gz MZOAURSWXNJJIP-GXFFZTMASA-N 2 1 296.436 2.260 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(C)s1 ZINC000420405842 395372755 /nfs/dbraw/zinc/37/27/55/395372755.db2.gz MZOAURSWXNJJIP-GXFFZTMASA-N 2 1 296.436 2.260 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](C)[C@H]2C)CC1 ZINC000192752911 395391603 /nfs/dbraw/zinc/39/16/03/395391603.db2.gz YZSYBOMIQHKRPF-JKSUJKDBSA-N 2 1 267.461 2.133 20 0 CEADMP C[NH2+]CCC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000435882211 395394495 /nfs/dbraw/zinc/39/44/95/395394495.db2.gz SHCHUQHRKJIQNK-QGZVFWFLSA-N 2 1 276.424 2.358 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442782826 395395094 /nfs/dbraw/zinc/39/50/94/395395094.db2.gz SDBGDSHZJHYIQX-WCQYABFASA-N 2 1 293.386 2.132 20 0 CEADMP CC(C)N(C)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514814 395330216 /nfs/dbraw/zinc/33/02/16/395330216.db2.gz GVJSTYJKSYQZSL-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514814 395330219 /nfs/dbraw/zinc/33/02/19/395330219.db2.gz GVJSTYJKSYQZSL-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@@H+](CCc1c(F)cccc1Cl)C1CC([NH3+])C1 ZINC000420329995 395330875 /nfs/dbraw/zinc/33/08/75/395330875.db2.gz KSFUGHKEHUODCS-UHFFFAOYSA-N 2 1 256.752 2.443 20 0 CEADMP c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)oc1C1CC1 ZINC000420338372 395334754 /nfs/dbraw/zinc/33/47/54/395334754.db2.gz XVYVVKIQCJREDS-ZIAGYGMSSA-N 2 1 275.396 2.374 20 0 CEADMP Cc1cccc(C)c1OCCC[N@H+](C)C1CC([NH3+])C1 ZINC000420339351 395335989 /nfs/dbraw/zinc/33/59/89/395335989.db2.gz SMUIBUGQCLCDEM-UHFFFAOYSA-N 2 1 262.397 2.494 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420343305 395337492 /nfs/dbraw/zinc/33/74/92/395337492.db2.gz QMYZAIBZXFLKOR-ZNMIVQPWSA-N 2 1 295.471 2.001 20 0 CEADMP Cc1cnc(CC[N@@H+](C)CCC2CC[NH2+]CC2)s1 ZINC000420354234 395343189 /nfs/dbraw/zinc/34/31/89/395343189.db2.gz COSDGZDNSMPGQS-UHFFFAOYSA-N 2 1 267.442 2.316 20 0 CEADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420358372 395344979 /nfs/dbraw/zinc/34/49/79/395344979.db2.gz IMQVKMAADJCQON-RBSFLKMASA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H]1CCCC[C@H]1[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420363855 395350117 /nfs/dbraw/zinc/35/01/17/395350117.db2.gz PUTHFWMJHPAEPH-OWLYRPNTSA-N 2 1 290.451 2.428 20 0 CEADMP C[C@H]1CCCC[C@H]1[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420363855 395350119 /nfs/dbraw/zinc/35/01/19/395350119.db2.gz PUTHFWMJHPAEPH-OWLYRPNTSA-N 2 1 290.451 2.428 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000420362979 395350765 /nfs/dbraw/zinc/35/07/65/395350765.db2.gz NNVYXWJNIWGDSO-ZDUSSCGKSA-N 2 1 281.375 2.117 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)CC1 ZINC000529568669 395407622 /nfs/dbraw/zinc/40/76/22/395407622.db2.gz VSAVNBCTBWOENS-AWEZNQCLSA-N 2 1 277.387 2.384 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1C ZINC000448025338 395507943 /nfs/dbraw/zinc/50/79/43/395507943.db2.gz CSNHCWCYDLLMIZ-KFWWJZLASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1C ZINC000448025338 395507945 /nfs/dbraw/zinc/50/79/45/395507945.db2.gz CSNHCWCYDLLMIZ-KFWWJZLASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1C ZINC000448025338 395507947 /nfs/dbraw/zinc/50/79/47/395507947.db2.gz CSNHCWCYDLLMIZ-KFWWJZLASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2N(C)CCCC2(C)C)CC[N@@H+]1C ZINC000448025338 395507949 /nfs/dbraw/zinc/50/79/49/395507949.db2.gz CSNHCWCYDLLMIZ-KFWWJZLASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2N(C)CCCC2(C)C)CC[N@H+]1C ZINC000448025338 395507951 /nfs/dbraw/zinc/50/79/51/395507951.db2.gz CSNHCWCYDLLMIZ-KFWWJZLASA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1C[C@H](C)N(Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000565541875 395475148 /nfs/dbraw/zinc/47/51/48/395475148.db2.gz BGSLIDOVKNYWKH-CABCVRRESA-N 2 1 287.451 2.247 20 0 CEADMP CCN1C[C@H](C)[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000565541875 395475150 /nfs/dbraw/zinc/47/51/50/395475150.db2.gz BGSLIDOVKNYWKH-CABCVRRESA-N 2 1 287.451 2.247 20 0 CEADMP CCN1C[C@H](C)[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000565541875 395475152 /nfs/dbraw/zinc/47/51/52/395475152.db2.gz BGSLIDOVKNYWKH-CABCVRRESA-N 2 1 287.451 2.247 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cncnc2C)C1 ZINC000565549836 395476571 /nfs/dbraw/zinc/47/65/71/395476571.db2.gz UQEOKUSPFPJTLE-OCCSQVGLSA-N 2 1 262.401 2.168 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cncnc2C)C1 ZINC000565549836 395476574 /nfs/dbraw/zinc/47/65/74/395476574.db2.gz UQEOKUSPFPJTLE-OCCSQVGLSA-N 2 1 262.401 2.168 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000446817648 395499287 /nfs/dbraw/zinc/49/92/87/395499287.db2.gz JGOMKORLLHWDKB-GVDBMIGSSA-N 2 1 276.424 2.009 20 0 CEADMP CC[C@@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000449560488 395554849 /nfs/dbraw/zinc/55/48/49/395554849.db2.gz LTXXTFVFMOHLPR-MOTUXRJWSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)CC2CCCC2)CCCO1 ZINC000569214952 395575006 /nfs/dbraw/zinc/57/50/06/395575006.db2.gz ZSOGNIJGZYEIIB-DOTOQJQBSA-N 2 1 298.471 2.018 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000569217894 395575375 /nfs/dbraw/zinc/57/53/75/395575375.db2.gz OCEAHLYCTINKJT-RRFJBIMHSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H]1CN(CC[C@H]2CCCC[N@H+]2C)CC[NH+](C2CC2)C1 ZINC000451080621 395583199 /nfs/dbraw/zinc/58/31/99/395583199.db2.gz KSCMZZOERRLQIJ-JKSUJKDBSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@@H+](C2CC2)C1 ZINC000451080621 395583201 /nfs/dbraw/zinc/58/32/01/395583201.db2.gz KSCMZZOERRLQIJ-JKSUJKDBSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@H+](C2CC2)C1 ZINC000451080621 395583203 /nfs/dbraw/zinc/58/32/03/395583203.db2.gz KSCMZZOERRLQIJ-JKSUJKDBSA-N 2 1 279.472 2.277 20 0 CEADMP CO[C@@H]1CC[N@H+](CCCn2cc[nH+]c2C)CC1(C)C ZINC000451570112 395623120 /nfs/dbraw/zinc/62/31/20/395623120.db2.gz UGYAWBVGDROEPP-CQSZACIVSA-N 2 1 265.401 2.329 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2C)CC1(C)C ZINC000451570112 395623121 /nfs/dbraw/zinc/62/31/21/395623121.db2.gz UGYAWBVGDROEPP-CQSZACIVSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000647509945 395724237 /nfs/dbraw/zinc/72/42/37/395724237.db2.gz GZEBLNVWDRGUDP-OLZOCXBDSA-N 2 1 288.395 2.158 20 0 CEADMP Cc1cc(Cl)cc(C)c1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647493211 395721221 /nfs/dbraw/zinc/72/12/21/395721221.db2.gz UYEVUFYMJXSTGK-UHFFFAOYSA-N 2 1 295.858 2.294 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(-n3cncn3)c(C)c2)CC[C@H]1[NH3+] ZINC000647498491 395722055 /nfs/dbraw/zinc/72/20/55/395722055.db2.gz IQUNYWBZYKKKRS-JKSUJKDBSA-N 2 1 299.422 2.135 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)CC[C@H]1[NH3+] ZINC000647498336 395722351 /nfs/dbraw/zinc/72/23/51/395722351.db2.gz FNSWQSFQYOHFLD-IUODEOHRSA-N 2 1 259.397 2.214 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccncc2)CC[C@@H]1[NH3+] ZINC000647498633 395722394 /nfs/dbraw/zinc/72/23/94/395722394.db2.gz LLWURYRTRFMRBQ-CJNGLKHVSA-N 2 1 299.422 2.041 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cnc3cccc(C)n23)CC[C@H]1[NH3+] ZINC000647498463 395722476 /nfs/dbraw/zinc/72/24/76/395722476.db2.gz IAKVEXWTQYOMDL-DZGCQCFKSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cnc3cccc(C)n23)CC[C@H]1[NH3+] ZINC000647498463 395722477 /nfs/dbraw/zinc/72/24/77/395722477.db2.gz IAKVEXWTQYOMDL-DZGCQCFKSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccncc2)CC[C@H]1[NH3+] ZINC000647498635 395722518 /nfs/dbraw/zinc/72/25/18/395722518.db2.gz LLWURYRTRFMRBQ-XJKSGUPXSA-N 2 1 299.422 2.041 20 0 CEADMP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CC(C)(C)[NH3+] ZINC000647518135 395725215 /nfs/dbraw/zinc/72/52/15/395725215.db2.gz HGBWRIDXMDJMMF-CQSZACIVSA-N 2 1 261.413 2.454 20 0 CEADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC(C)(C)[NH3+] ZINC000647518135 395725218 /nfs/dbraw/zinc/72/52/18/395725218.db2.gz HGBWRIDXMDJMMF-CQSZACIVSA-N 2 1 261.413 2.454 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000647535775 395728796 /nfs/dbraw/zinc/72/87/96/395728796.db2.gz LGMJOUDRTRTYOF-LLVKDONJSA-N 2 1 265.426 2.193 20 0 CEADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647551811 395733881 /nfs/dbraw/zinc/73/38/81/395733881.db2.gz NRWXGBPGIUMABF-LZWOXQAQSA-N 2 1 261.413 2.380 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1)CCOCC2 ZINC000647553172 395734203 /nfs/dbraw/zinc/73/42/03/395734203.db2.gz FUTAAKYWNNLTKQ-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000647553263 395734372 /nfs/dbraw/zinc/73/43/72/395734372.db2.gz NNSMYVZYSKLZGD-UONOGXRCSA-N 2 1 254.418 2.251 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c2c1C ZINC000647707401 395747275 /nfs/dbraw/zinc/74/72/75/395747275.db2.gz KEELGMPDQPXRQS-XQQFMLRXSA-N 2 1 285.395 2.138 20 0 CEADMP CC[C@@H]([NH2+]CCc1cn2c(cccc2C)n1)[C@@H]1CCC[NH2+]1 ZINC000647803949 395758226 /nfs/dbraw/zinc/75/82/26/395758226.db2.gz FGAKSVPUFRNTCZ-CVEARBPZSA-N 2 1 286.423 2.305 20 0 CEADMP c1cc([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc2c1NCC2 ZINC000647800068 395757430 /nfs/dbraw/zinc/75/74/30/395757430.db2.gz ZENYAUXGTONYPX-BFHYXJOUSA-N 2 1 257.381 2.455 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCCOc1ccccc1C ZINC000647959957 395786227 /nfs/dbraw/zinc/78/62/27/395786227.db2.gz WHGZHDIRVFLVOM-INIZCTEOSA-N 2 1 294.439 2.008 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCCOc1ccccc1C ZINC000647959957 395786232 /nfs/dbraw/zinc/78/62/32/395786232.db2.gz WHGZHDIRVFLVOM-INIZCTEOSA-N 2 1 294.439 2.008 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCCOc1ccccc1C ZINC000647959957 395786237 /nfs/dbraw/zinc/78/62/37/395786237.db2.gz WHGZHDIRVFLVOM-INIZCTEOSA-N 2 1 294.439 2.008 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCCOc1ccccc1C ZINC000647959957 395786240 /nfs/dbraw/zinc/78/62/40/395786240.db2.gz WHGZHDIRVFLVOM-INIZCTEOSA-N 2 1 294.439 2.008 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1cc(-c2ccc(F)cc2)no1 ZINC000647848193 395763621 /nfs/dbraw/zinc/76/36/21/395763621.db2.gz KHKBTJWMDPWIKD-UHFFFAOYSA-N 2 1 263.316 2.261 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cc(-c2ccc(F)cc2)no1 ZINC000647848193 395763623 /nfs/dbraw/zinc/76/36/23/395763623.db2.gz KHKBTJWMDPWIKD-UHFFFAOYSA-N 2 1 263.316 2.261 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000647870870 395766252 /nfs/dbraw/zinc/76/62/52/395766252.db2.gz HYUMBOQNACYUBC-KGLIPLIRSA-N 2 1 294.443 2.228 20 0 CEADMP C[N@@H+](CCOc1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647872198 395766404 /nfs/dbraw/zinc/76/64/04/395766404.db2.gz GEBMFCITLVIDQC-GFCCVEGCSA-N 2 1 268.788 2.260 20 0 CEADMP COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647873496 395766849 /nfs/dbraw/zinc/76/68/49/395766849.db2.gz PZOWMOCOEMIVEM-XJKSGUPXSA-N 2 1 290.407 2.450 20 0 CEADMP COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647873496 395766851 /nfs/dbraw/zinc/76/68/51/395766851.db2.gz PZOWMOCOEMIVEM-XJKSGUPXSA-N 2 1 290.407 2.450 20 0 CEADMP COCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000647879523 395767935 /nfs/dbraw/zinc/76/79/35/395767935.db2.gz HURJLVBLQVWSJI-LSDHHAIUSA-N 2 1 262.397 2.306 20 0 CEADMP CC[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000647882107 395768117 /nfs/dbraw/zinc/76/81/17/395768117.db2.gz KUTVZZCFPJGHFL-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)(C)C[N@@H+](CCCO)CCCC1CC[NH2+]CC1 ZINC000647884424 395768591 /nfs/dbraw/zinc/76/85/91/395768591.db2.gz OSQLGRAQGDKIML-UHFFFAOYSA-N 2 1 270.461 2.497 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000647885689 395769127 /nfs/dbraw/zinc/76/91/27/395769127.db2.gz GJNSMKZWRUFHLB-CQSZACIVSA-N 2 1 250.411 2.386 20 0 CEADMP C[NH2+]CCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000647885689 395769129 /nfs/dbraw/zinc/76/91/29/395769129.db2.gz GJNSMKZWRUFHLB-CQSZACIVSA-N 2 1 250.411 2.386 20 0 CEADMP C([C@H]1CC[NH2+]C1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000647890158 395769914 /nfs/dbraw/zinc/76/99/14/395769914.db2.gz VRZMKHJERRSJKB-ZDUSSCGKSA-N 2 1 254.443 2.348 20 0 CEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000647890158 395769916 /nfs/dbraw/zinc/76/99/16/395769916.db2.gz VRZMKHJERRSJKB-ZDUSSCGKSA-N 2 1 254.443 2.348 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904110 395770750 /nfs/dbraw/zinc/77/07/50/395770750.db2.gz WYIBANSHLOEGOO-IAGOWNOFSA-N 3 1 279.472 2.230 20 0 CEADMP Cc1cccc(C)c1OCC[NH+]1CCC(C)([NH3+])CC1 ZINC000647924732 395775919 /nfs/dbraw/zinc/77/59/19/395775919.db2.gz GMHRFCJFAKFKQV-UHFFFAOYSA-N 2 1 262.397 2.495 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000648068114 395825210 /nfs/dbraw/zinc/82/52/10/395825210.db2.gz BSZIIFODCZYZNI-IKGGRYGDSA-N 2 1 288.435 2.489 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)CCCC[NH3+] ZINC000648139952 395844239 /nfs/dbraw/zinc/84/42/39/395844239.db2.gz TXOAOHAZMONBLP-OLZOCXBDSA-N 2 1 280.416 2.030 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977387 395793594 /nfs/dbraw/zinc/79/35/94/395793594.db2.gz AOASLHXUPYKKAU-IAGOWNOFSA-N 2 1 290.455 2.293 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977387 395793596 /nfs/dbraw/zinc/79/35/96/395793596.db2.gz AOASLHXUPYKKAU-IAGOWNOFSA-N 3 1 290.455 2.293 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977387 395793598 /nfs/dbraw/zinc/79/35/98/395793598.db2.gz AOASLHXUPYKKAU-IAGOWNOFSA-N 3 1 290.455 2.293 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC000647978101 395794271 /nfs/dbraw/zinc/79/42/71/395794271.db2.gz MSGUMKXUZORKPE-ULQDDVLXSA-N 3 1 279.472 2.088 20 0 CEADMP CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000647995253 395798137 /nfs/dbraw/zinc/79/81/37/395798137.db2.gz JFILIDXNYLIICI-HZPDHXFCSA-N 2 1 279.472 2.040 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CCO1 ZINC000648560101 395929456 /nfs/dbraw/zinc/92/94/56/395929456.db2.gz NIIAOMVQQXTDEX-OWCLPIDISA-N 2 1 284.444 2.035 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC000648560101 395929460 /nfs/dbraw/zinc/92/94/60/395929460.db2.gz NIIAOMVQQXTDEX-OWCLPIDISA-N 2 1 284.444 2.035 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CCO1 ZINC000648871188 396006687 /nfs/dbraw/zinc/00/66/87/396006687.db2.gz YXRCDNMVKWYSKC-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)CCO1 ZINC000648871188 396006689 /nfs/dbraw/zinc/00/66/89/396006689.db2.gz YXRCDNMVKWYSKC-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648901626 396013324 /nfs/dbraw/zinc/01/33/24/396013324.db2.gz PLHOXEXJPFZFFC-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649343979 396125135 /nfs/dbraw/zinc/12/51/35/396125135.db2.gz LHLZHHYAEXDHMH-CQSZACIVSA-N 2 1 297.830 2.188 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000649413799 396147418 /nfs/dbraw/zinc/14/74/18/396147418.db2.gz GIBDYUHZNJOZNE-QGZVFWFLSA-N 3 1 279.472 2.184 20 0 CEADMP Cc1cncc(CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000649540742 396182968 /nfs/dbraw/zinc/18/29/68/396182968.db2.gz CZDXIKDFFYCAHN-MRXNPFEDSA-N 2 1 288.439 2.135 20 0 CEADMP Cc1cncc(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000649540742 396182970 /nfs/dbraw/zinc/18/29/70/396182970.db2.gz CZDXIKDFFYCAHN-MRXNPFEDSA-N 2 1 288.439 2.135 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](CCC1CCCC1)CCO2 ZINC000646104289 396294067 /nfs/dbraw/zinc/29/40/67/396294067.db2.gz IHCPAXXXNUJATO-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP CC(C)C[C@@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106731 396294951 /nfs/dbraw/zinc/29/49/51/396294951.db2.gz OJHDYFDBXLELGJ-CQSZACIVSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH2+]CCCNC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000646624747 396363817 /nfs/dbraw/zinc/36/38/17/396363817.db2.gz LYOCXEKTLOOFTE-INIZCTEOSA-N 2 1 291.439 2.013 20 0 CEADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000646789433 396381977 /nfs/dbraw/zinc/38/19/77/396381977.db2.gz VFVNJRNFHATSAH-SMDDNHRTSA-N 2 1 261.369 2.129 20 0 CEADMP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000646789433 396381979 /nfs/dbraw/zinc/38/19/79/396381979.db2.gz VFVNJRNFHATSAH-SMDDNHRTSA-N 2 1 261.369 2.129 20 0 CEADMP CC(C)Cn1nccc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000647173240 396429089 /nfs/dbraw/zinc/42/90/89/396429089.db2.gz ZMQGYZXEWQZKGV-OAHLLOKOSA-N 2 1 278.444 2.361 20 0 CEADMP Oc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916519 400121809 /nfs/dbraw/zinc/12/18/09/400121809.db2.gz VEXXPPBUNGGMCR-HOCLYGCPSA-N 2 1 260.381 2.356 20 0 CEADMP Oc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916519 400121815 /nfs/dbraw/zinc/12/18/15/400121815.db2.gz VEXXPPBUNGGMCR-HOCLYGCPSA-N 2 1 260.381 2.356 20 0 CEADMP CN(C[C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388612697 400532677 /nfs/dbraw/zinc/53/26/77/400532677.db2.gz YGBHWVSDLFRLMQ-QZTJIDSGSA-N 2 1 287.451 2.192 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccccc1 ZINC000389137384 400537154 /nfs/dbraw/zinc/53/71/54/400537154.db2.gz UQOUSEWNWQLXPZ-ZBFHGGJFSA-N 2 1 264.413 2.381 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccccc1 ZINC000389137384 400537156 /nfs/dbraw/zinc/53/71/56/400537156.db2.gz UQOUSEWNWQLXPZ-ZBFHGGJFSA-N 2 1 264.413 2.381 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1ccccc1 ZINC000389137384 400537157 /nfs/dbraw/zinc/53/71/57/400537157.db2.gz UQOUSEWNWQLXPZ-ZBFHGGJFSA-N 2 1 264.413 2.381 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000389137384 400537159 /nfs/dbraw/zinc/53/71/59/400537159.db2.gz UQOUSEWNWQLXPZ-ZBFHGGJFSA-N 2 1 264.413 2.381 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000636119903 400687873 /nfs/dbraw/zinc/68/78/73/400687873.db2.gz TVNXJVRKFCJYTB-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636119903 400687874 /nfs/dbraw/zinc/68/78/74/400687874.db2.gz TVNXJVRKFCJYTB-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000636119903 400687877 /nfs/dbraw/zinc/68/78/77/400687877.db2.gz TVNXJVRKFCJYTB-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639514691 400695874 /nfs/dbraw/zinc/69/58/74/400695874.db2.gz RPNCDODYUBBXKX-WMZOPIPTSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639514691 400695878 /nfs/dbraw/zinc/69/58/78/400695878.db2.gz RPNCDODYUBBXKX-WMZOPIPTSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@H]1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639514691 400695884 /nfs/dbraw/zinc/69/58/84/400695884.db2.gz RPNCDODYUBBXKX-WMZOPIPTSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639514691 400695888 /nfs/dbraw/zinc/69/58/88/400695888.db2.gz RPNCDODYUBBXKX-WMZOPIPTSA-N 2 1 288.435 2.355 20 0 CEADMP COCC[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000650705520 400997592 /nfs/dbraw/zinc/99/75/92/400997592.db2.gz KEWPKHRBPMHNOL-UHFFFAOYSA-N 2 1 262.397 2.195 20 0 CEADMP COCC[NH2+]C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000650704704 400998536 /nfs/dbraw/zinc/99/85/36/400998536.db2.gz TYQLCBKAVYDGBB-UHFFFAOYSA-N 2 1 299.418 2.435 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)nc1 ZINC000650708214 401000473 /nfs/dbraw/zinc/00/04/73/401000473.db2.gz VKQJPAVTEDVLPR-ZMSDIMECSA-N 2 1 289.423 2.108 20 0 CEADMP c1ccc2c(c1)CC[C@@H](CCN[C@H]1CCC[NH2+]C1)N2 ZINC000650720974 401010173 /nfs/dbraw/zinc/01/01/73/401010173.db2.gz KDUTURLODYFVGE-GJZGRUSLSA-N 2 1 259.397 2.145 20 0 CEADMP c1ccc2c(c1)CC[C@@H](CC[NH2+][C@H]1CCC[NH2+]C1)N2 ZINC000650720974 401010178 /nfs/dbraw/zinc/01/01/78/401010178.db2.gz KDUTURLODYFVGE-GJZGRUSLSA-N 2 1 259.397 2.145 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)[C@@H]1CCC[NH2+]1 ZINC000650752427 401029805 /nfs/dbraw/zinc/02/98/05/401029805.db2.gz QTWGYQGCWJKLCO-UKMLZYKCSA-N 2 1 275.396 2.032 20 0 CEADMP [NH3+]Cc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000650754108 401031270 /nfs/dbraw/zinc/03/12/70/401031270.db2.gz BIPZQTUJMZEIHS-GJZGRUSLSA-N 2 1 277.387 2.001 20 0 CEADMP N[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)c2ccccc21 ZINC000650762177 401035623 /nfs/dbraw/zinc/03/56/23/401035623.db2.gz VZSZZMAFTPSGFF-CVEARBPZSA-N 2 1 259.397 2.111 20 0 CEADMP c1ccc([C@H]2C[C@@H]([NH2+]CCC3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC000650762053 401036681 /nfs/dbraw/zinc/03/66/81/401036681.db2.gz RJSXEWKEVJYJTE-ZWKOTPCHSA-N 3 1 287.451 2.459 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000360011615 155187699 /nfs/dbraw/zinc/18/76/99/155187699.db2.gz PCHRUPMEBGWGCB-HYVNUMGLSA-N 2 1 281.488 2.427 20 0 CEADMP COc1cc(OC)c(C[NH2+]CCn2cc[nH+]c2C)cc1F ZINC000651693434 401372505 /nfs/dbraw/zinc/37/25/05/401372505.db2.gz NTHABHJMLDKLTR-UHFFFAOYSA-N 2 1 293.342 2.138 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc2c1CCC2 ZINC000651693084 401372686 /nfs/dbraw/zinc/37/26/86/401372686.db2.gz AODOPGAZAXQQKF-UHFFFAOYSA-N 2 1 255.365 2.470 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)C1CCOCC1 ZINC000651865391 401405794 /nfs/dbraw/zinc/40/57/94/401405794.db2.gz WPWGXSIMYZHRKL-AWEZNQCLSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](C2CC2)C2CCOCC2)CC[N@@H+]1C ZINC000652247818 401473057 /nfs/dbraw/zinc/47/30/57/401473057.db2.gz RZIXOTUWVPNUEV-KCXAZCMYSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](C2CC2)C2CCOCC2)CC[N@H+]1C ZINC000652247818 401473060 /nfs/dbraw/zinc/47/30/60/401473060.db2.gz RZIXOTUWVPNUEV-KCXAZCMYSA-N 2 1 266.429 2.264 20 0 CEADMP c1cc2c(cc1C[N@@H+](C1CC1)C1CC[NH2+]CC1)C[NH2+]CC2 ZINC000652335515 401489220 /nfs/dbraw/zinc/48/92/20/401489220.db2.gz NKYIPAGUXVJHGE-UHFFFAOYSA-N 3 1 285.435 2.049 20 0 CEADMP c1cc2c(cc1CN(C1CC1)C1CC[NH2+]CC1)C[NH2+]CC2 ZINC000652335515 401489224 /nfs/dbraw/zinc/48/92/24/401489224.db2.gz NKYIPAGUXVJHGE-UHFFFAOYSA-N 2 1 285.435 2.049 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000652336921 401490226 /nfs/dbraw/zinc/49/02/26/401490226.db2.gz OPPXNUOANNHZMB-ZDUSSCGKSA-N 2 1 290.329 2.108 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000652336921 401490228 /nfs/dbraw/zinc/49/02/28/401490228.db2.gz OPPXNUOANNHZMB-ZDUSSCGKSA-N 2 1 290.329 2.108 20 0 CEADMP CC(C)OCCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363004 401494826 /nfs/dbraw/zinc/49/48/26/401494826.db2.gz VHYUOVBATONJEA-XHSDSOJGSA-N 2 1 284.444 2.162 20 0 CEADMP COc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cn1 ZINC000360167548 155232542 /nfs/dbraw/zinc/23/25/42/155232542.db2.gz ZQCGCJZVHGSZKC-UHFFFAOYSA-N 2 1 277.412 2.302 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](CCCc2ccncc2)CC1 ZINC000360449089 155301286 /nfs/dbraw/zinc/30/12/86/155301286.db2.gz QUZSFZHYVHAAQT-UHFFFAOYSA-N 2 1 261.413 2.477 20 0 CEADMP Cc1cccc(NC2CC[NH+](CCCCCO)CC2)[nH+]1 ZINC000360521897 155319560 /nfs/dbraw/zinc/31/95/60/155319560.db2.gz XXGPRGABZRXVKK-UHFFFAOYSA-N 2 1 277.412 2.429 20 0 CEADMP C[N@H+]1C[C@@H]2CN(Cc3cncnc3)C[C@@H]2[C@H]1c1ccccc1 ZINC000360777813 155369238 /nfs/dbraw/zinc/36/92/38/155369238.db2.gz PSWYZPKGMRHBBM-FGTMMUONSA-N 2 1 294.402 2.211 20 0 CEADMP C[N@H+]1C[C@@H]2CN(Cc3cc[nH]n3)C[C@H]2[C@H]1c1ccccc1 ZINC000360792218 155372260 /nfs/dbraw/zinc/37/22/60/155372260.db2.gz UIMRPXHKNKFPJR-DJIMGWMZSA-N 2 1 282.391 2.144 20 0 CEADMP CCCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188280689 153051351 /nfs/dbraw/zinc/05/13/51/153051351.db2.gz OTTZEXRSZVMNBC-KRWDZBQOSA-N 2 1 276.424 2.355 20 0 CEADMP CCCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188280689 153051358 /nfs/dbraw/zinc/05/13/58/153051358.db2.gz OTTZEXRSZVMNBC-KRWDZBQOSA-N 2 1 276.424 2.355 20 0 CEADMP CCCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188280689 153051472 /nfs/dbraw/zinc/05/14/72/153051472.db2.gz OTTZEXRSZVMNBC-KRWDZBQOSA-N 2 1 276.424 2.355 20 0 CEADMP CCCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188280689 153051473 /nfs/dbraw/zinc/05/14/73/153051473.db2.gz OTTZEXRSZVMNBC-KRWDZBQOSA-N 2 1 276.424 2.355 20 0 CEADMP C[C@H]1CC[C@@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)O1 ZINC000188586748 153060597 /nfs/dbraw/zinc/06/05/97/153060597.db2.gz BGLQLWMHBJFXSG-ZFWWWQNUSA-N 2 1 277.412 2.242 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000191808795 153187922 /nfs/dbraw/zinc/18/79/22/153187922.db2.gz VDAOPPBAIYQRJH-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP Cc1c[nH+]ccc1NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000192728740 153214329 /nfs/dbraw/zinc/21/43/29/153214329.db2.gz DYSKVEYNBFGDAC-IAGOWNOFSA-N 2 1 297.402 2.437 20 0 CEADMP CN(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(F)(F)F ZINC000192672912 153216166 /nfs/dbraw/zinc/21/61/66/153216166.db2.gz IAVJBKQZOMSNBB-YHWZYXNKSA-N 2 1 293.377 2.085 20 0 CEADMP CCC(CC)(CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192922177 153224929 /nfs/dbraw/zinc/22/49/29/153224929.db2.gz MSVVLZNGINMUJR-GOOCMWNKSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc2ncccc2c1 ZINC000216053739 153290224 /nfs/dbraw/zinc/29/02/24/153290224.db2.gz LWOGHNNPBCSDRX-TZMCWYRMSA-N 2 1 255.365 2.404 20 0 CEADMP COc1ccc(CNCCC[N@@H+](C)C(C)C)cc1O ZINC000221783777 153313273 /nfs/dbraw/zinc/31/32/73/153313273.db2.gz IPWCQFSWKBNCDX-UHFFFAOYSA-N 2 1 266.385 2.221 20 0 CEADMP COc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1O ZINC000221783777 153313278 /nfs/dbraw/zinc/31/32/78/153313278.db2.gz IPWCQFSWKBNCDX-UHFFFAOYSA-N 2 1 266.385 2.221 20 0 CEADMP COc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1O ZINC000221783777 153313282 /nfs/dbraw/zinc/31/32/82/153313282.db2.gz IPWCQFSWKBNCDX-UHFFFAOYSA-N 2 1 266.385 2.221 20 0 CEADMP C[C@@H](Cn1ccnc1)[NH2+]Cc1ncc(Cl)s1 ZINC000225312871 153328675 /nfs/dbraw/zinc/32/86/75/153328675.db2.gz MDVKFXMUKFGTAC-QMMMGPOBSA-N 2 1 256.762 2.171 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNCc1cc(OC)cc(C)n1 ZINC000225909130 153331585 /nfs/dbraw/zinc/33/15/85/153331585.db2.gz OHGGMCYDHSHOMU-ZDUSSCGKSA-N 2 1 265.401 2.219 20 0 CEADMP CCC[N@@H+](CC)CCNCc1c(C)nc2ccccn21 ZINC000228043475 153355618 /nfs/dbraw/zinc/35/56/18/153355618.db2.gz ZTCMJZMFJIIQPA-UHFFFAOYSA-N 2 1 274.412 2.464 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263121160 154021489 /nfs/dbraw/zinc/02/14/89/154021489.db2.gz AWOZIKDAEBZPTR-INMHGKMJSA-N 2 1 295.471 2.131 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC(F)F)C[C@H]1C ZINC000346448494 154289137 /nfs/dbraw/zinc/28/91/37/154289137.db2.gz SWLCOHPMQUEZAL-NEPJUHHUSA-N 2 1 264.360 2.073 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC(F)F)C[C@H]1C ZINC000346448494 154289145 /nfs/dbraw/zinc/28/91/45/154289145.db2.gz SWLCOHPMQUEZAL-NEPJUHHUSA-N 2 1 264.360 2.073 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC(F)F)C[C@H]1C ZINC000346448494 154289149 /nfs/dbraw/zinc/28/91/49/154289149.db2.gz SWLCOHPMQUEZAL-NEPJUHHUSA-N 2 1 264.360 2.073 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCC(C)CC1 ZINC000348974469 154308389 /nfs/dbraw/zinc/30/83/89/154308389.db2.gz LQTCDTHWKQGQGA-CQSZACIVSA-N 2 1 266.433 2.117 20 0 CEADMP C[C@@H](O)CC(C)(C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352752794 154333746 /nfs/dbraw/zinc/33/37/46/154333746.db2.gz YWYJOVPMJHHYBF-LLVKDONJSA-N 2 1 285.457 2.091 20 0 CEADMP CC[C@@H](C(N)=O)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357074081 154370487 /nfs/dbraw/zinc/37/04/87/154370487.db2.gz FGRQVLLNDLVDJX-INIZCTEOSA-N 2 1 295.471 2.084 20 0 CEADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000357083317 154378180 /nfs/dbraw/zinc/37/81/80/154378180.db2.gz YMESHWGARREZHR-MRXNPFEDSA-N 2 1 264.413 2.223 20 0 CEADMP CCCC[N@@H+](CCOCC[NH3+])Cc1ccccc1F ZINC000357081657 154379505 /nfs/dbraw/zinc/37/95/05/154379505.db2.gz WFCSBXLJRDNEFQ-UHFFFAOYSA-N 2 1 268.376 2.403 20 0 CEADMP CCSc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359472914 155027779 /nfs/dbraw/zinc/02/77/79/155027779.db2.gz MYVZDDYOKKJWIH-OKILXGFUSA-N 2 1 262.422 2.450 20 0 CEADMP CCSc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359472914 155027781 /nfs/dbraw/zinc/02/77/81/155027781.db2.gz MYVZDDYOKKJWIH-OKILXGFUSA-N 2 1 262.422 2.450 20 0 CEADMP CC(C)N(C)c1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000359719194 155120699 /nfs/dbraw/zinc/12/06/99/155120699.db2.gz LEDQAZHSLNCBKV-ZBFHGGJFSA-N 2 1 290.455 2.499 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)cn1 ZINC000359719194 155120701 /nfs/dbraw/zinc/12/07/01/155120701.db2.gz LEDQAZHSLNCBKV-ZBFHGGJFSA-N 2 1 290.455 2.499 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000359719194 155120703 /nfs/dbraw/zinc/12/07/03/155120703.db2.gz LEDQAZHSLNCBKV-ZBFHGGJFSA-N 2 1 290.455 2.499 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000359719194 155120705 /nfs/dbraw/zinc/12/07/05/155120705.db2.gz LEDQAZHSLNCBKV-ZBFHGGJFSA-N 2 1 290.455 2.499 20 0 CEADMP c1cc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)ccn1 ZINC000363260436 156016948 /nfs/dbraw/zinc/01/69/48/156016948.db2.gz WGACAYNAYHCVCY-BRWVUGGUSA-N 2 1 271.408 2.040 20 0 CEADMP c1cc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)ccn1 ZINC000363260436 156016951 /nfs/dbraw/zinc/01/69/51/156016951.db2.gz WGACAYNAYHCVCY-BRWVUGGUSA-N 2 1 271.408 2.040 20 0 CEADMP c1cc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)ccn1 ZINC000363260436 156016952 /nfs/dbraw/zinc/01/69/52/156016952.db2.gz WGACAYNAYHCVCY-BRWVUGGUSA-N 2 1 271.408 2.040 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000367623306 156217659 /nfs/dbraw/zinc/21/76/59/156217659.db2.gz VPJUOJBXLVOPJW-OWSLCNJRSA-N 2 1 288.435 2.357 20 0 CEADMP CCC[C@@]1(CO)CC[N@@H+](CCCCn2ccnc2C)C1 ZINC000367983022 156267910 /nfs/dbraw/zinc/26/79/10/156267910.db2.gz MLWOPGVCSNXUGR-MRXNPFEDSA-N 2 1 279.428 2.456 20 0 CEADMP CCC[C@@]1(CO)CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000367983022 156267912 /nfs/dbraw/zinc/26/79/12/156267912.db2.gz MLWOPGVCSNXUGR-MRXNPFEDSA-N 2 1 279.428 2.456 20 0 CEADMP CCC[C@@]1(CO)CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000367983022 156267917 /nfs/dbraw/zinc/26/79/17/156267917.db2.gz MLWOPGVCSNXUGR-MRXNPFEDSA-N 2 1 279.428 2.456 20 0 CEADMP c1nc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)c[nH]1 ZINC000368735590 156394442 /nfs/dbraw/zinc/39/44/42/156394442.db2.gz DTPWRLMHMRVFFM-UHFFFAOYSA-N 2 1 276.428 2.465 20 0 CEADMP CN(CCC[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375740330 157135699 /nfs/dbraw/zinc/13/56/99/157135699.db2.gz AZHNJIRFBGPIKL-XYPWUTKMSA-N 2 1 265.445 2.029 20 0 CEADMP Cc1[nH+]ccn1CCCN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000376537714 157242182 /nfs/dbraw/zinc/24/21/82/157242182.db2.gz YSLQUUZLQKKIKX-GOEBONIOSA-N 2 1 276.428 2.140 20 0 CEADMP C[C@@H]1COC[C@@H](C)[NH+]1CCCCC[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000120759016 297148784 /nfs/dbraw/zinc/14/87/84/297148784.db2.gz FHTKJBHZKBGNGE-VQHPVUNQSA-N 2 1 298.471 2.375 20 0 CEADMP CC(C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000539498808 298248490 /nfs/dbraw/zinc/24/84/90/298248490.db2.gz ZHTNOQAFYDIINK-ZDUSSCGKSA-N 2 1 267.442 2.035 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1C ZINC000151120504 162301885 /nfs/dbraw/zinc/30/18/85/162301885.db2.gz DCXKPWTWKYFJIY-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1C ZINC000151120504 162301889 /nfs/dbraw/zinc/30/18/89/162301889.db2.gz DCXKPWTWKYFJIY-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1C ZINC000151120504 162301893 /nfs/dbraw/zinc/30/18/93/162301893.db2.gz DCXKPWTWKYFJIY-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(CC)c2)C1 ZINC000151121925 162302348 /nfs/dbraw/zinc/30/23/48/162302348.db2.gz YBMCQDBTXUHLHD-UONOGXRCSA-N 2 1 264.417 2.286 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(CC)c2)C1 ZINC000151121925 162302349 /nfs/dbraw/zinc/30/23/49/162302349.db2.gz YBMCQDBTXUHLHD-UONOGXRCSA-N 2 1 264.417 2.286 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cncc(Br)c2)C1 ZINC000167439506 162360583 /nfs/dbraw/zinc/36/05/83/162360583.db2.gz VZTBLYUQWLYRKH-NSHDSACASA-N 2 1 298.228 2.405 20 0 CEADMP COc1ccc(CC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000175086481 165126077 /nfs/dbraw/zinc/12/60/77/165126077.db2.gz GGYMMTBJFGNREJ-UHFFFAOYSA-N 2 1 262.397 2.264 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000178975597 165268072 /nfs/dbraw/zinc/26/80/72/165268072.db2.gz VHUYHYFCHYTWBS-KGLIPLIRSA-N 2 1 254.443 2.346 20 0 CEADMP COc1ccc(COCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000179463596 165278254 /nfs/dbraw/zinc/27/82/54/165278254.db2.gz JUUCIWBNZLHJEL-ZBFHGGJFSA-N 2 1 292.423 2.284 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H](C)OC)CC1 ZINC000182384133 165369710 /nfs/dbraw/zinc/36/97/10/165369710.db2.gz JVUKZQCAEOGMRH-HNNXBMFYSA-N 2 1 286.460 2.092 20 0 CEADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCOC3)CC2)cc1 ZINC000019914618 170924206 /nfs/dbraw/zinc/92/42/06/170924206.db2.gz XQQUHCVGDDNAJA-INIZCTEOSA-N 2 1 274.408 2.277 20 0 CEADMP OC1CC[NH+](CCC[NH2+]Cc2ccc3occc3c2)CC1 ZINC000285416959 196278287 /nfs/dbraw/zinc/27/82/87/196278287.db2.gz JLQXHPDPZZYJGM-UHFFFAOYSA-N 2 1 288.391 2.369 20 0 CEADMP Cn1nccc1C1=CC[N@H+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000285646457 196353816 /nfs/dbraw/zinc/35/38/16/196353816.db2.gz OSTTZGVABPTHCD-INIZCTEOSA-N 2 1 288.439 2.384 20 0 CEADMP Cn1nccc1C1=CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000285646457 196353817 /nfs/dbraw/zinc/35/38/17/196353817.db2.gz OSTTZGVABPTHCD-INIZCTEOSA-N 2 1 288.439 2.384 20 0 CEADMP Cn1nccc1C1=CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000285646457 196353819 /nfs/dbraw/zinc/35/38/19/196353819.db2.gz OSTTZGVABPTHCD-INIZCTEOSA-N 2 1 288.439 2.384 20 0 CEADMP Cn1nccc1C1=CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000285646457 196353821 /nfs/dbraw/zinc/35/38/21/196353821.db2.gz OSTTZGVABPTHCD-INIZCTEOSA-N 2 1 288.439 2.384 20 0 CEADMP CC(C)N1CCC([NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000037221484 173041110 /nfs/dbraw/zinc/04/11/10/173041110.db2.gz MJYHBOJBVVPTDX-CQSZACIVSA-N 2 1 267.461 2.179 20 0 CEADMP O[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000037489982 173231315 /nfs/dbraw/zinc/23/13/15/173231315.db2.gz ZBJNMKMJXVIUJY-DLBZAZTESA-N 2 1 274.408 2.154 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000040600347 174351232 /nfs/dbraw/zinc/35/12/32/174351232.db2.gz TZIDZRSFCGQIDR-ZDUSSCGKSA-N 2 1 293.386 2.086 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000040667159 174366960 /nfs/dbraw/zinc/36/69/60/174366960.db2.gz UJKFATNYZFCCBG-BZPMIXESSA-N 2 1 276.380 2.234 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000040667159 174366961 /nfs/dbraw/zinc/36/69/61/174366961.db2.gz UJKFATNYZFCCBG-BZPMIXESSA-N 2 1 276.380 2.234 20 0 CEADMP C[N@@H+]1CCC[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000040671735 174369239 /nfs/dbraw/zinc/36/92/39/174369239.db2.gz KYRSYYSYZKTKFH-GOSISDBHSA-N 2 1 287.451 2.335 20 0 CEADMP C[N@H+]1CCC[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000040671735 174369240 /nfs/dbraw/zinc/36/92/40/174369240.db2.gz KYRSYYSYZKTKFH-GOSISDBHSA-N 2 1 287.451 2.335 20 0 CEADMP Cc1cc(NCCC[NH2+]Cc2cccnc2)nc(C)[nH+]1 ZINC000063197229 414761643 /nfs/dbraw/zinc/76/16/43/414761643.db2.gz MNEZYPHQFFEAIZ-UHFFFAOYSA-N 2 1 271.368 2.080 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404279823 414778058 /nfs/dbraw/zinc/77/80/58/414778058.db2.gz AAAHVZTUXAROOF-WCQYABFASA-N 2 1 267.442 2.443 20 0 CEADMP C[C@H]([NH3+])CN1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000404306363 414779719 /nfs/dbraw/zinc/77/97/19/414779719.db2.gz FRFARHKHNHOIQA-JONQDZQNSA-N 2 1 275.440 2.317 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000662871829 414780426 /nfs/dbraw/zinc/78/04/26/414780426.db2.gz DYBXWWYVHRBIMX-GVZPALNKSA-N 2 1 287.407 2.061 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH+]1CCCC1 ZINC000401012106 414748542 /nfs/dbraw/zinc/74/85/42/414748542.db2.gz HHTZGJGEEFGUGL-VQHPVUNQSA-N 3 1 279.472 2.085 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000405212546 414794026 /nfs/dbraw/zinc/79/40/26/414794026.db2.gz LWUXJENATJJTKG-JKSUJKDBSA-N 2 1 295.471 2.083 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000657179370 414797623 /nfs/dbraw/zinc/79/76/23/414797623.db2.gz XJKNLEGUXXNHTF-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CN(C)c2ccccc2C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420322159 414806176 /nfs/dbraw/zinc/80/61/76/414806176.db2.gz SGRYCWTZOZQOPE-HUUCEWRRSA-N 2 1 273.424 2.327 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657335898 414865782 /nfs/dbraw/zinc/86/57/82/414865782.db2.gz UOHACADPVFTGGI-CYBMUJFWSA-N 2 1 276.428 2.117 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657335898 414865786 /nfs/dbraw/zinc/86/57/86/414865786.db2.gz UOHACADPVFTGGI-CYBMUJFWSA-N 2 1 276.428 2.117 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000657260430 414821499 /nfs/dbraw/zinc/82/14/99/414821499.db2.gz HTVVDPYOUNRZEG-HOCLYGCPSA-N 2 1 292.448 2.317 20 0 CEADMP COCc1csc(C[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000657334799 414867463 /nfs/dbraw/zinc/86/74/63/414867463.db2.gz HPNLVEITSMFLKF-LLVKDONJSA-N 2 1 256.415 2.324 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCC(C)(C)O1)C2 ZINC000660660728 414922187 /nfs/dbraw/zinc/92/21/87/414922187.db2.gz AMWCQQHGNODFNP-GDBMZVCRSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CCC(C)(C)O1)C2 ZINC000660660728 414922194 /nfs/dbraw/zinc/92/21/94/414922194.db2.gz AMWCQQHGNODFNP-GDBMZVCRSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CCC(C)(C)O1)C2 ZINC000660660728 414922197 /nfs/dbraw/zinc/92/21/97/414922197.db2.gz AMWCQQHGNODFNP-GDBMZVCRSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)C1CCCCC1)C2 ZINC000660665443 414926761 /nfs/dbraw/zinc/92/67/61/414926761.db2.gz WLRKNFJPBXELCN-DLBZAZTESA-N 2 1 280.456 2.345 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337992751 414874610 /nfs/dbraw/zinc/87/46/10/414874610.db2.gz ZGHGJIFCXBIULI-IRXDYDNUSA-N 2 1 279.472 2.182 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C2CC2)CC1 ZINC000660575701 414883626 /nfs/dbraw/zinc/88/36/26/414883626.db2.gz ZDTGYDPMJGLBSK-OAHLLOKOSA-N 2 1 268.445 2.200 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)C1CCCC1 ZINC000660616126 414900181 /nfs/dbraw/zinc/90/01/81/414900181.db2.gz GZJUIGCXJPPIJN-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)C1CCCC1 ZINC000660616126 414900184 /nfs/dbraw/zinc/90/01/84/414900184.db2.gz GZJUIGCXJPPIJN-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)C1CCCC1 ZINC000660616126 414900188 /nfs/dbraw/zinc/90/01/88/414900188.db2.gz GZJUIGCXJPPIJN-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000663504303 414974615 /nfs/dbraw/zinc/97/46/15/414974615.db2.gz YRWSBUPBPINCLP-SOUVJXGZSA-N 3 1 255.450 2.260 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCSC2(CCC2)CC1 ZINC000660797376 414977839 /nfs/dbraw/zinc/97/78/39/414977839.db2.gz OQIBYVMUIHLRRB-AWEZNQCLSA-N 2 1 286.485 2.049 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCSC2(CCC2)CC1 ZINC000660797376 414977844 /nfs/dbraw/zinc/97/78/44/414977844.db2.gz OQIBYVMUIHLRRB-AWEZNQCLSA-N 2 1 286.485 2.049 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCSC2(CCC2)CC1 ZINC000660797376 414977849 /nfs/dbraw/zinc/97/78/49/414977849.db2.gz OQIBYVMUIHLRRB-AWEZNQCLSA-N 2 1 286.485 2.049 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCSC2(CCC2)CC1 ZINC000660797376 414977852 /nfs/dbraw/zinc/97/78/52/414977852.db2.gz OQIBYVMUIHLRRB-AWEZNQCLSA-N 2 1 286.485 2.049 20 0 CEADMP CC[C@H](COCC1CC1)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000657563466 415001696 /nfs/dbraw/zinc/00/16/96/415001696.db2.gz UWNUXLDVLWNEQM-OAHLLOKOSA-N 2 1 277.412 2.442 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C1CC1)C1CCCCC1 ZINC000653496354 415014549 /nfs/dbraw/zinc/01/45/49/415014549.db2.gz OIXXVSBDXRFMPR-OAHLLOKOSA-N 2 1 254.418 2.096 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C1CC1)C1CCCCC1 ZINC000653496354 415014553 /nfs/dbraw/zinc/01/45/53/415014553.db2.gz OIXXVSBDXRFMPR-OAHLLOKOSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C1CC1)C1CCCCC1 ZINC000653496354 415014555 /nfs/dbraw/zinc/01/45/55/415014555.db2.gz OIXXVSBDXRFMPR-OAHLLOKOSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C1CC1)C1CCCCC1 ZINC000653496354 415014559 /nfs/dbraw/zinc/01/45/59/415014559.db2.gz OIXXVSBDXRFMPR-OAHLLOKOSA-N 2 1 254.418 2.096 20 0 CEADMP COc1ccc(C(C)C)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000653501783 415018043 /nfs/dbraw/zinc/01/80/43/415018043.db2.gz IHKRXZIOJBJMAM-HZPDHXFCSA-N 2 1 274.408 2.470 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@@H](C)[C@H](C)[NH3+])C1CCCCC1 ZINC000653200582 414944845 /nfs/dbraw/zinc/94/48/45/414944845.db2.gz JMIYHPMRUFJXEG-KBPBESRZSA-N 2 1 283.460 2.131 20 0 CEADMP CC[N@@H+](CCCNC(=O)CC[C@@H](C)[NH3+])C1CCCCC1 ZINC000653200596 414945222 /nfs/dbraw/zinc/94/52/22/414945222.db2.gz KBWUAYJLFQQXQN-CQSZACIVSA-N 2 1 283.460 2.275 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCc2ccccc2CC1 ZINC000660735415 414950509 /nfs/dbraw/zinc/95/05/09/414950509.db2.gz QUBDEOAPKLDPCY-SFHVURJKSA-N 2 1 290.451 2.178 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCc2ccccc2CC1 ZINC000660735415 414950514 /nfs/dbraw/zinc/95/05/14/414950514.db2.gz QUBDEOAPKLDPCY-SFHVURJKSA-N 2 1 290.451 2.178 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCc2ccccc2CC1 ZINC000660735415 414950520 /nfs/dbraw/zinc/95/05/20/414950520.db2.gz QUBDEOAPKLDPCY-SFHVURJKSA-N 2 1 290.451 2.178 20 0 CEADMP CC[C@@H]1C[N@@H+](CC)CCN1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660734989 414951391 /nfs/dbraw/zinc/95/13/91/414951391.db2.gz GLBQRFUBBHVYOI-BRWVUGGUSA-N 2 1 281.488 2.380 20 0 CEADMP C([NH2+][C@@H]1CCSC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467491 414963002 /nfs/dbraw/zinc/96/30/02/414963002.db2.gz GABVKUALNKYHOT-ZIAGYGMSSA-N 2 1 254.443 2.204 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000653608873 415050938 /nfs/dbraw/zinc/05/09/38/415050938.db2.gz LHILXGZYNDMQTE-GJZGRUSLSA-N 2 1 279.428 2.082 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000653608873 415050943 /nfs/dbraw/zinc/05/09/43/415050943.db2.gz LHILXGZYNDMQTE-GJZGRUSLSA-N 2 1 279.428 2.082 20 0 CEADMP CCc1ccc([C@H](CO)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000653612049 415053669 /nfs/dbraw/zinc/05/36/69/415053669.db2.gz ZDPDOAVKCIAVRU-KRWDZBQOSA-N 2 1 287.407 2.238 20 0 CEADMP CCC[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750999 415068411 /nfs/dbraw/zinc/06/84/11/415068411.db2.gz MPOATFUPTBOCPV-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](c1ccncc1)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000653688259 415074865 /nfs/dbraw/zinc/07/48/65/415074865.db2.gz QGDYSJZJQGXXLT-CABCVRRESA-N 2 1 289.423 2.328 20 0 CEADMP CO[C@@H](C[NH2+]C1CC[NH+](C)CC1)C1CCCCC1 ZINC000657782118 415076955 /nfs/dbraw/zinc/07/69/55/415076955.db2.gz JAKKRYYLMIXSAX-HNNXBMFYSA-N 2 1 254.418 2.266 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000657830160 415097618 /nfs/dbraw/zinc/09/76/18/415097618.db2.gz MIBOSSVLXINHGF-LBPRGKRZSA-N 2 1 254.443 2.489 20 0 CEADMP CC[NH+](CC)CCC[N@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661092994 415093053 /nfs/dbraw/zinc/09/30/53/415093053.db2.gz LFASINRRRDDGHC-KRWDZBQOSA-N 2 1 278.440 2.254 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661092994 415093060 /nfs/dbraw/zinc/09/30/60/415093060.db2.gz LFASINRRRDDGHC-KRWDZBQOSA-N 2 1 278.440 2.254 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CCC(C)C ZINC000653571047 415040444 /nfs/dbraw/zinc/04/04/44/415040444.db2.gz RQVIPFXRDDBLEJ-CABCVRRESA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H](C)[N@@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000661109858 415100085 /nfs/dbraw/zinc/10/00/85/415100085.db2.gz UKBQKIBFEJFAHV-CQSZACIVSA-N 2 1 283.460 2.096 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657840059 415101192 /nfs/dbraw/zinc/10/11/92/415101192.db2.gz LLSLSEQFHJAFPG-IXDOHACOSA-N 2 1 296.455 2.035 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657873003 415110518 /nfs/dbraw/zinc/11/05/18/415110518.db2.gz QSAZXGMKZJTNJH-IKGGRYGDSA-N 2 1 293.499 2.428 20 0 CEADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C(C)(C)C(F)F ZINC000657883379 415112741 /nfs/dbraw/zinc/11/27/41/415112741.db2.gz RKWSAIZEWWDJOF-NSHDSACASA-N 2 1 278.387 2.367 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657890076 415113760 /nfs/dbraw/zinc/11/37/60/415113760.db2.gz QQKMLJQHMWXYMZ-AWEZNQCLSA-N 2 1 263.385 2.273 20 0 CEADMP CCOC1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000657937694 415133164 /nfs/dbraw/zinc/13/31/64/415133164.db2.gz KSEDPUWZLSTRAQ-UHFFFAOYSA-N 2 1 252.402 2.186 20 0 CEADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cnn(C)c2)CC1 ZINC000044498509 175184427 /nfs/dbraw/zinc/18/44/27/175184427.db2.gz HJLSLDHDKWKFCZ-CYBMUJFWSA-N 2 1 264.417 2.335 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000044529570 175194340 /nfs/dbraw/zinc/19/43/40/175194340.db2.gz RECYMSGGLDUOHO-LBPRGKRZSA-N 2 1 268.788 2.390 20 0 CEADMP C[C@@H]1C[N@H+](CCNc2nc3ccccc3n2C)[C@@H](C)CO1 ZINC000664244216 415237732 /nfs/dbraw/zinc/23/77/32/415237732.db2.gz QUZGNGAIZBLOCY-QWHCGFSZSA-N 2 1 288.395 2.094 20 0 CEADMP C[C@@H]1C[N@@H+](CCNc2nc3ccccc3n2C)[C@@H](C)CO1 ZINC000664244216 415237739 /nfs/dbraw/zinc/23/77/39/415237739.db2.gz QUZGNGAIZBLOCY-QWHCGFSZSA-N 2 1 288.395 2.094 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc(Cl)s1 ZINC000664196976 415222089 /nfs/dbraw/zinc/22/20/89/415222089.db2.gz PSRXXMWAMKCZCR-JTQLQIEISA-N 2 1 290.864 2.480 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc(Cl)s1 ZINC000664196976 415222091 /nfs/dbraw/zinc/22/20/91/415222091.db2.gz PSRXXMWAMKCZCR-JTQLQIEISA-N 2 1 290.864 2.480 20 0 CEADMP CC1CC([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000658134788 415224119 /nfs/dbraw/zinc/22/41/19/415224119.db2.gz BZIBNGQLRCNHNP-QWFMPGPPSA-N 2 1 274.408 2.141 20 0 CEADMP CC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658146963 415231627 /nfs/dbraw/zinc/23/16/27/415231627.db2.gz WTPXIAUJOLEDSJ-BBRMVZONSA-N 2 1 262.397 2.141 20 0 CEADMP CNC(=O)CC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000658304047 415307060 /nfs/dbraw/zinc/30/70/60/415307060.db2.gz DOUHBNOZCGRCKA-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP OC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC(F)(F)CC1 ZINC000658321369 415314929 /nfs/dbraw/zinc/31/49/29/415314929.db2.gz PBMKVRMUDNJVHB-UHFFFAOYSA-N 2 1 288.382 2.143 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658348559 415330059 /nfs/dbraw/zinc/33/00/59/415330059.db2.gz BYRCGVITTICSKM-HJWJTTGWSA-N 2 1 274.408 2.010 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658348559 415330066 /nfs/dbraw/zinc/33/00/66/415330066.db2.gz BYRCGVITTICSKM-HJWJTTGWSA-N 2 1 274.408 2.010 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000655695293 415394710 /nfs/dbraw/zinc/39/47/10/415394710.db2.gz WJZATRSABPUVHT-MELADBBJSA-N 2 1 260.385 2.062 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655695293 415394715 /nfs/dbraw/zinc/39/47/15/415394715.db2.gz WJZATRSABPUVHT-MELADBBJSA-N 2 1 260.385 2.062 20 0 CEADMP CCCC(O)(CCC)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655728618 415415876 /nfs/dbraw/zinc/41/58/76/415415876.db2.gz WSWNARAXXLGKTI-MRXNPFEDSA-N 2 1 298.471 2.161 20 0 CEADMP CC(C)[C@@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655726829 415415908 /nfs/dbraw/zinc/41/59/08/415415908.db2.gz QCVUYJVLJAVLFD-DZGCQCFKSA-N 2 1 254.418 2.121 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1(C2CC2)CC1 ZINC000655738719 415424941 /nfs/dbraw/zinc/42/49/41/415424941.db2.gz WMCRGSDXSMNQFU-INIZCTEOSA-N 2 1 278.440 2.410 20 0 CEADMP FC1(F)CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655745599 415431771 /nfs/dbraw/zinc/43/17/71/415431771.db2.gz ABSWEKRJBJROTJ-KBPBESRZSA-N 2 1 288.382 2.407 20 0 CEADMP CCOC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC000655760380 415440840 /nfs/dbraw/zinc/44/08/40/415440840.db2.gz OOJDNUKAADUZJU-IRXDYDNUSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655762182 415440996 /nfs/dbraw/zinc/44/09/96/415440996.db2.gz BVEBJGWYTHCOJD-FMKPAKJESA-N 2 1 266.429 2.266 20 0 CEADMP FC1(F)CC[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655764723 415444137 /nfs/dbraw/zinc/44/41/37/415444137.db2.gz PYYFSFQKCLSQJN-OCCSQVGLSA-N 2 1 288.382 2.265 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)OC ZINC000655773278 415450045 /nfs/dbraw/zinc/45/00/45/415450045.db2.gz UHXNLFSGMVAOAG-XIRDDKMYSA-N 2 1 298.471 2.281 20 0 CEADMP CCC(C)(C)OCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655775409 415456078 /nfs/dbraw/zinc/45/60/78/415456078.db2.gz WROYYAWGSHSTMS-HNNXBMFYSA-N 2 1 284.444 2.035 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000655787313 415467789 /nfs/dbraw/zinc/46/77/89/415467789.db2.gz VDUWKLQDRCIPSZ-GJZGRUSLSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccn2)[C@H](C)C1 ZINC000655838215 415511777 /nfs/dbraw/zinc/51/17/77/415511777.db2.gz KXAAGZKBZFMLJY-FMKPAKJESA-N 2 1 261.413 2.333 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661874523 415515199 /nfs/dbraw/zinc/51/51/99/415515199.db2.gz JVZFZFXZJWFDNR-HOTGVXAUSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661874523 415515207 /nfs/dbraw/zinc/51/52/07/415515207.db2.gz JVZFZFXZJWFDNR-HOTGVXAUSA-N 2 1 277.412 2.473 20 0 CEADMP C[C@H]1CC[N@@H+](CCc2noc3ccccc32)C[C@H]1C[NH3+] ZINC000655940090 415560154 /nfs/dbraw/zinc/56/01/54/415560154.db2.gz PBCWIRQYSDWPRL-QWHCGFSZSA-N 2 1 273.380 2.287 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCOC(C2CC2)(C2CC2)C1 ZINC000661995839 415566842 /nfs/dbraw/zinc/56/68/42/415566842.db2.gz MIZMKBPUWNSMBZ-INIZCTEOSA-N 2 1 278.440 2.362 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995839 415566848 /nfs/dbraw/zinc/56/68/48/415566848.db2.gz MIZMKBPUWNSMBZ-INIZCTEOSA-N 2 1 278.440 2.362 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995839 415566855 /nfs/dbraw/zinc/56/68/55/415566855.db2.gz MIZMKBPUWNSMBZ-INIZCTEOSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995839 415566858 /nfs/dbraw/zinc/56/68/58/415566858.db2.gz MIZMKBPUWNSMBZ-INIZCTEOSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661995839 415566866 /nfs/dbraw/zinc/56/68/66/415566866.db2.gz MIZMKBPUWNSMBZ-INIZCTEOSA-N 2 1 278.440 2.362 20 0 CEADMP COc1cccc(OC)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000665238403 415642715 /nfs/dbraw/zinc/64/27/15/415642715.db2.gz XTUBXDBPSFWKBF-NEPJUHHUSA-N 2 1 264.369 2.063 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1O ZINC000665246397 415647414 /nfs/dbraw/zinc/64/74/14/415647414.db2.gz DPNWYLXQRGAOSH-LLVKDONJSA-N 2 1 264.369 2.323 20 0 CEADMP C[C@@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000665268127 415662356 /nfs/dbraw/zinc/66/23/56/415662356.db2.gz IDDVEWVHJAJTMQ-IJEWVQPXSA-N 2 1 265.445 2.124 20 0 CEADMP C1C[N@@H+](C2CCCCC2)C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000665268640 415662424 /nfs/dbraw/zinc/66/24/24/415662424.db2.gz SFWZSDFHTHCLIM-VQHPVUNQSA-N 3 1 291.483 2.371 20 0 CEADMP C1C[N@H+](C2CCCCC2)C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000665268640 415662430 /nfs/dbraw/zinc/66/24/30/415662430.db2.gz SFWZSDFHTHCLIM-VQHPVUNQSA-N 3 1 291.483 2.371 20 0 CEADMP O[C@@H]1CC[N@H+](C2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC000662159302 415663178 /nfs/dbraw/zinc/66/31/78/415663178.db2.gz XDNGZMQIVNVLHF-QGZVFWFLSA-N 2 1 280.456 2.488 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665273833 415665304 /nfs/dbraw/zinc/66/53/04/415665304.db2.gz FBOFXBIUFRYMQR-PBWFPOADSA-N 2 1 274.412 2.060 20 0 CEADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000665276788 415666556 /nfs/dbraw/zinc/66/65/56/415666556.db2.gz MTVNWPSJVDQUCW-TUBUQKNSSA-N 2 1 287.407 2.054 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000665297275 415684434 /nfs/dbraw/zinc/68/44/34/415684434.db2.gz CGWJYUMNMBDWIO-RYUDHWBXSA-N 2 1 280.412 2.141 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299169 415686336 /nfs/dbraw/zinc/68/63/36/415686336.db2.gz HWXLKLUTDBHZNR-HYVNUMGLSA-N 2 1 279.472 2.086 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299169 415686341 /nfs/dbraw/zinc/68/63/41/415686341.db2.gz HWXLKLUTDBHZNR-HYVNUMGLSA-N 2 1 279.472 2.086 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299169 415686348 /nfs/dbraw/zinc/68/63/48/415686348.db2.gz HWXLKLUTDBHZNR-HYVNUMGLSA-N 2 1 279.472 2.086 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000071142368 176040282 /nfs/dbraw/zinc/04/02/82/176040282.db2.gz ZOVHAILXUTYFHK-CYBMUJFWSA-N 2 1 250.411 2.450 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(SC)cc2)C1 ZINC000071142368 176040283 /nfs/dbraw/zinc/04/02/83/176040283.db2.gz ZOVHAILXUTYFHK-CYBMUJFWSA-N 2 1 250.411 2.450 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255563 415718612 /nfs/dbraw/zinc/71/86/12/415718612.db2.gz DCIPUKONFQJXQF-QLFBSQMISA-N 2 1 266.429 2.408 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)C1CCCCC1 ZINC000662264805 415730057 /nfs/dbraw/zinc/73/00/57/415730057.db2.gz MIXWATZDZJBXFE-VNHYZAJKSA-N 2 1 254.418 2.251 20 0 CEADMP Fc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248455 415712775 /nfs/dbraw/zinc/71/27/75/415712775.db2.gz CADOTQSPBJKAPI-HOTGVXAUSA-N 2 1 290.382 2.484 20 0 CEADMP C[C@@H]1CCC[C@H]([N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662250829 415714434 /nfs/dbraw/zinc/71/44/34/415714434.db2.gz OZDAUQMVCPVIGY-HZSPNIEDSA-N 2 1 252.402 2.018 20 0 CEADMP c1ccc(C[C@@H]2CC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662251165 415714467 /nfs/dbraw/zinc/71/44/67/415714467.db2.gz AIUBHNQHNHUMKY-DLBZAZTESA-N 2 1 286.419 2.072 20 0 CEADMP CCc1nocc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000662274529 415743625 /nfs/dbraw/zinc/74/36/25/415743625.db2.gz VEDKGTMILGIHSC-QWHCGFSZSA-N 2 1 263.385 2.059 20 0 CEADMP CC(C)CNC(=O)CCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000659866753 415747410 /nfs/dbraw/zinc/74/74/10/415747410.db2.gz INIFERWWSHWCQT-UHFFFAOYSA-N 2 1 297.487 2.343 20 0 CEADMP [NH3+]CCOCC[N@H+](Cc1ccccc1F)CC1CC1 ZINC000662311241 415771794 /nfs/dbraw/zinc/77/17/94/415771794.db2.gz RELQJFRYFJSBPD-UHFFFAOYSA-N 2 1 266.360 2.013 20 0 CEADMP CO[C@@H](C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000662315541 415774049 /nfs/dbraw/zinc/77/40/49/415774049.db2.gz QOMKXZZLDJQRFR-SNPRPXQTSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000662315541 415774054 /nfs/dbraw/zinc/77/40/54/415774054.db2.gz QOMKXZZLDJQRFR-SNPRPXQTSA-N 2 1 254.418 2.251 20 0 CEADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000662317458 415776600 /nfs/dbraw/zinc/77/66/00/415776600.db2.gz PTTAFGIRIIXQIV-NVXWUHKLSA-N 2 1 273.424 2.197 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)c1ccccc1 ZINC000659874474 415754139 /nfs/dbraw/zinc/75/41/39/415754139.db2.gz OUXPXILTGAPLDO-RDJZCZTQSA-N 2 1 278.440 2.423 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)c1ccccc1 ZINC000659874474 415754141 /nfs/dbraw/zinc/75/41/41/415754141.db2.gz OUXPXILTGAPLDO-RDJZCZTQSA-N 2 1 278.440 2.423 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](C)c1ccccc1 ZINC000659874474 415754142 /nfs/dbraw/zinc/75/41/42/415754142.db2.gz OUXPXILTGAPLDO-RDJZCZTQSA-N 2 1 278.440 2.423 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000659874474 415754143 /nfs/dbraw/zinc/75/41/43/415754143.db2.gz OUXPXILTGAPLDO-RDJZCZTQSA-N 2 1 278.440 2.423 20 0 CEADMP CO[C@@H](C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)[C@@H]1CCOC1 ZINC000659876677 415754932 /nfs/dbraw/zinc/75/49/32/415754932.db2.gz LCYVJJVOZQQQFV-SJORKVTESA-N 2 1 298.471 2.090 20 0 CEADMP CCCCNC(=O)CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293166 415756288 /nfs/dbraw/zinc/75/62/88/415756288.db2.gz KEXWHWPXLDTMBA-MRXNPFEDSA-N 2 1 295.471 2.004 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)no1 ZINC000662295586 415758689 /nfs/dbraw/zinc/75/86/89/415758689.db2.gz VLHGUJDKOPZYON-AWEZNQCLSA-N 2 1 263.385 2.195 20 0 CEADMP C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)[C@@H]1CCCO1 ZINC000662296415 415758827 /nfs/dbraw/zinc/75/88/27/415758827.db2.gz ZQXXGLALMIBWAF-HOTGVXAUSA-N 2 1 266.429 2.267 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000662325209 415781829 /nfs/dbraw/zinc/78/18/29/415781829.db2.gz CTSGPVGVHAKUMH-AWEZNQCLSA-N 2 1 268.426 2.291 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000662325209 415781832 /nfs/dbraw/zinc/78/18/32/415781832.db2.gz CTSGPVGVHAKUMH-AWEZNQCLSA-N 2 1 268.426 2.291 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCCCF)CCO1 ZINC000662322901 415782657 /nfs/dbraw/zinc/78/26/57/415782657.db2.gz JKSZCFYWHXMFOK-CQSZACIVSA-N 2 1 260.397 2.169 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)[C@H](C[NH3+])C(F)(F)F)c1C ZINC000662329408 415785411 /nfs/dbraw/zinc/78/54/11/415785411.db2.gz LNIPUDGLHOCUTQ-LLVKDONJSA-N 2 1 291.317 2.028 20 0 CEADMP c1ccc(C23CC(C2)C[N@@H+]3C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662328068 415785535 /nfs/dbraw/zinc/78/55/35/415785535.db2.gz OESSYJQTIGAEOB-BFHRDPOASA-N 2 1 284.403 2.129 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN[C@@]1(c2ccccc2)CC1(C)C ZINC000662341169 415791424 /nfs/dbraw/zinc/79/14/24/415791424.db2.gz QKYMOXFYRRNVOC-NVXWUHKLSA-N 2 1 276.424 2.214 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000659982333 415824920 /nfs/dbraw/zinc/82/49/20/415824920.db2.gz KDMXYJZNOCLCSC-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000659982333 415824926 /nfs/dbraw/zinc/82/49/26/415824926.db2.gz KDMXYJZNOCLCSC-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000659982333 415824931 /nfs/dbraw/zinc/82/49/31/415824931.db2.gz KDMXYJZNOCLCSC-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@]1(C)CC1(F)F ZINC000656710306 415828158 /nfs/dbraw/zinc/82/81/58/415828158.db2.gz IEGQHTQUOUCXTC-CABCVRRESA-N 2 1 298.377 2.114 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@]1(C)CC1(F)F ZINC000656710306 415828160 /nfs/dbraw/zinc/82/81/60/415828160.db2.gz IEGQHTQUOUCXTC-CABCVRRESA-N 2 1 298.377 2.114 20 0 CEADMP CC(C)[NH2+][C@H]1CCCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660068661 415869426 /nfs/dbraw/zinc/86/94/26/415869426.db2.gz ONFOCUHCMUCLLC-BBWFWOEESA-N 2 1 281.488 2.427 20 0 CEADMP C[C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)[N@H+]1CCCC[C@H]1C ZINC000662678869 415928874 /nfs/dbraw/zinc/92/88/74/415928874.db2.gz JDSUNKNNDMDCJQ-ZIAGYGMSSA-N 2 1 293.455 2.040 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(N)c1 ZINC000660115915 415888367 /nfs/dbraw/zinc/88/83/67/415888367.db2.gz CXIGBOIKVGIOES-UHFFFAOYSA-N 2 1 258.369 2.296 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(N)c1 ZINC000660115915 415888370 /nfs/dbraw/zinc/88/83/70/415888370.db2.gz CXIGBOIKVGIOES-UHFFFAOYSA-N 2 1 258.369 2.296 20 0 CEADMP Cc1[nH+]ccn1CCCN(C)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660117960 415890993 /nfs/dbraw/zinc/89/09/93/415890993.db2.gz QKGYUGHLMDACLK-IYBDPMFKSA-N 2 1 292.471 2.491 20 0 CEADMP Cc1[nH+]ccn1CCCN(C)CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660117960 415890997 /nfs/dbraw/zinc/89/09/97/415890997.db2.gz QKGYUGHLMDACLK-IYBDPMFKSA-N 2 1 292.471 2.491 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+]([C@@H]1COC(C)(C)C1)CC2 ZINC000660167272 415912717 /nfs/dbraw/zinc/91/27/17/415912717.db2.gz NUZUMOPYXAWECG-ZDUSSCGKSA-N 2 1 252.402 2.114 20 0 CEADMP C[N@H+]1CCCC12CC[NH+]([C@@H]1COC(C)(C)C1)CC2 ZINC000660167272 415912721 /nfs/dbraw/zinc/91/27/21/415912721.db2.gz NUZUMOPYXAWECG-ZDUSSCGKSA-N 2 1 252.402 2.114 20 0 CEADMP C[N@H+](Cc1cccc(-n2cccn2)c1)CC(C)(C)[NH3+] ZINC000656783057 415859874 /nfs/dbraw/zinc/85/98/74/415859874.db2.gz NBQXHUORZLPORE-UHFFFAOYSA-N 2 1 258.369 2.041 20 0 CEADMP C[N@@H+](Cc1cccc(-n2cccn2)c1)CC(C)(C)[NH3+] ZINC000656783057 415859879 /nfs/dbraw/zinc/85/98/79/415859879.db2.gz NBQXHUORZLPORE-UHFFFAOYSA-N 2 1 258.369 2.041 20 0 CEADMP C(C1CCOCC1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785551 415860209 /nfs/dbraw/zinc/86/02/09/415860209.db2.gz LWIYFDBXJFFYBC-MRXNPFEDSA-N 2 1 266.429 2.125 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CCCC1 ZINC000656788750 415863497 /nfs/dbraw/zinc/86/34/97/415863497.db2.gz YNFMFPNCLMQVHI-UHFFFAOYSA-N 2 1 270.380 2.438 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C[NH3+])CC(C)C)C[C@@H]1C ZINC000662743287 415951232 /nfs/dbraw/zinc/95/12/32/415951232.db2.gz NHQXSCQIMIFEPG-HRCADAONSA-N 2 1 297.487 2.329 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662695305 415931836 /nfs/dbraw/zinc/93/18/36/415931836.db2.gz JMKUZLBQTCEDMZ-ZIAGYGMSSA-N 2 1 295.471 2.001 20 0 CEADMP O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000318399861 419480697 /nfs/dbraw/zinc/48/06/97/419480697.db2.gz TWHYSJROTMNHHF-VYDXJSESSA-N 2 1 299.418 2.156 20 0 CEADMP O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000318399861 419480708 /nfs/dbraw/zinc/48/07/08/419480708.db2.gz TWHYSJROTMNHHF-VYDXJSESSA-N 2 1 299.418 2.156 20 0 CEADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770613 419423817 /nfs/dbraw/zinc/42/38/17/419423817.db2.gz MXRHZVQGSITIDQ-UKRRQHHQSA-N 2 1 290.407 2.468 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC000666770390 419424958 /nfs/dbraw/zinc/42/49/58/419424958.db2.gz XVFHTHUFTMYFEJ-JKSUJKDBSA-N 2 1 274.408 2.284 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1OC ZINC000666770712 419425651 /nfs/dbraw/zinc/42/56/51/419425651.db2.gz SRHRBMDXYSICJH-DZGCQCFKSA-N 2 1 292.423 2.367 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc12 ZINC000666968810 419497809 /nfs/dbraw/zinc/49/78/09/419497809.db2.gz HFZVTJLNOWOYHJ-ZBFHGGJFSA-N 2 1 299.422 2.230 20 0 CEADMP C[C@H]1C[N@H+](C)C[C@@H]1NCc1cccc2c1OC(F)(F)O2 ZINC000666285418 419612833 /nfs/dbraw/zinc/61/28/33/419612833.db2.gz HXKQSJFPHBUZQL-ONGXEEELSA-N 2 1 284.306 2.048 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCc1cccc2c1OC(F)(F)O2 ZINC000666285418 419612844 /nfs/dbraw/zinc/61/28/44/419612844.db2.gz HXKQSJFPHBUZQL-ONGXEEELSA-N 2 1 284.306 2.048 20 0 CEADMP C[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667471993 419688063 /nfs/dbraw/zinc/68/80/63/419688063.db2.gz SUKYVMLDZMSFMK-ZDUSSCGKSA-N 2 1 256.353 2.499 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667471993 419688070 /nfs/dbraw/zinc/68/80/70/419688070.db2.gz SUKYVMLDZMSFMK-ZDUSSCGKSA-N 2 1 256.353 2.499 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000449191335 260288171 /nfs/dbraw/zinc/28/81/71/260288171.db2.gz XGGAWOJTQYSEHJ-IIAWOOMASA-N 2 1 284.444 2.031 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)CSC)CC1 ZINC000187749879 260624496 /nfs/dbraw/zinc/62/44/96/260624496.db2.gz NTXWUAJHJAIHMM-HNNXBMFYSA-N 2 1 288.501 2.154 20 0 CEADMP C[N@H+](Cc1cccc2c1OCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435439964 262740071 /nfs/dbraw/zinc/74/00/71/262740071.db2.gz XYXFLLXCRHGJMP-CQSZACIVSA-N 2 1 276.380 2.032 20 0 CEADMP C[N@@H+](Cc1cccc2c1OCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435439964 262740072 /nfs/dbraw/zinc/74/00/72/262740072.db2.gz XYXFLLXCRHGJMP-CQSZACIVSA-N 2 1 276.380 2.032 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H]1CCOC1 ZINC000438099179 263042874 /nfs/dbraw/zinc/04/28/74/263042874.db2.gz SRDCWBFKNKVINO-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1F)C1CC1 ZINC000414791575 263048754 /nfs/dbraw/zinc/04/87/54/263048754.db2.gz BNPNHIJUDRUXBZ-VSZDKKFSSA-N 2 1 252.308 2.305 20 0 CEADMP CC[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000453261418 263214427 /nfs/dbraw/zinc/21/44/27/263214427.db2.gz RMZJNWFQUTVSRU-TUAOUCFPSA-N 2 1 282.350 2.416 20 0 CEADMP CC[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000453261418 263214429 /nfs/dbraw/zinc/21/44/29/263214429.db2.gz RMZJNWFQUTVSRU-TUAOUCFPSA-N 2 1 282.350 2.416 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CF)CCOCC2)[C@@H]2CCC[C@H]21 ZINC000453308972 263227055 /nfs/dbraw/zinc/22/70/55/263227055.db2.gz MUGHMEIYXYSANA-SOUVJXGZSA-N 2 1 284.419 2.215 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000423313227 270894981 /nfs/dbraw/zinc/89/49/81/270894981.db2.gz WMMVQQCCYBUKQX-HTQZYQBOSA-N 2 1 290.180 2.229 20 0 CEADMP COCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC(C)C ZINC000192721814 270279520 /nfs/dbraw/zinc/27/95/20/270279520.db2.gz GVOGBSRBTPJREC-UHFFFAOYSA-N 2 1 299.503 2.007 20 0 CEADMP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC000268878327 270330733 /nfs/dbraw/zinc/33/07/33/270330733.db2.gz VWRPARZOMBFNIP-UONOGXRCSA-N 2 1 260.385 2.014 20 0 CEADMP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000268878327 270330736 /nfs/dbraw/zinc/33/07/36/270330736.db2.gz VWRPARZOMBFNIP-UONOGXRCSA-N 2 1 260.385 2.014 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000314959001 270333568 /nfs/dbraw/zinc/33/35/68/270333568.db2.gz UMQXFRRGFDMTNH-AWEZNQCLSA-N 2 1 299.422 2.292 20 0 CEADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392212424 270340496 /nfs/dbraw/zinc/34/04/96/270340496.db2.gz KBUOKCRVXLYHDH-GOEBONIOSA-N 3 1 265.445 2.149 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)oc1C ZINC000397249398 270352130 /nfs/dbraw/zinc/35/21/30/270352130.db2.gz BZQCVVCWCZJNQG-LOWVWBTDSA-N 2 1 294.395 2.180 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)oc1C ZINC000397249398 270352133 /nfs/dbraw/zinc/35/21/33/270352133.db2.gz BZQCVVCWCZJNQG-LOWVWBTDSA-N 2 1 294.395 2.180 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(O)cc(F)c2)C[C@H]1C[NH3+] ZINC000397340729 270353458 /nfs/dbraw/zinc/35/34/58/270353458.db2.gz VNAKTCULKNRSLP-NQBHXWOUSA-N 2 1 266.360 2.337 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(O)cc(F)c2)C[C@H]1C[NH3+] ZINC000397340729 270353461 /nfs/dbraw/zinc/35/34/61/270353461.db2.gz VNAKTCULKNRSLP-NQBHXWOUSA-N 2 1 266.360 2.337 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000398952910 270365308 /nfs/dbraw/zinc/36/53/08/270365308.db2.gz FLPLFDRDOHCJGN-MRXNPFEDSA-N 2 1 295.471 2.084 20 0 CEADMP Cc1ccc([C@@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)cc1C ZINC000420302252 270509913 /nfs/dbraw/zinc/50/99/13/270509913.db2.gz JJEWJVDUNDYZPC-SFHVURJKSA-N 2 1 287.451 2.346 20 0 CEADMP COCCCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330169 270519049 /nfs/dbraw/zinc/51/90/49/270519049.db2.gz POBLQQRLLKXPCC-LSDHHAIUSA-N 2 1 254.418 2.125 20 0 CEADMP CC(C)CCC[C@@H](C)NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420355918 270525023 /nfs/dbraw/zinc/52/50/23/270525023.db2.gz FPYMETPHDWIQNA-CABCVRRESA-N 2 1 297.487 2.295 20 0 CEADMP CCC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1nnc2ccccn21 ZINC000422734355 270745347 /nfs/dbraw/zinc/74/53/47/270745347.db2.gz COYATARXFSZAPG-MCIONIFRSA-N 2 1 287.411 2.158 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCN[C@H](C)c1c[nH+]ccc1N ZINC000422733339 270745681 /nfs/dbraw/zinc/74/56/81/270745681.db2.gz QUQCVBIDYCYISZ-KGLIPLIRSA-N 2 1 276.428 2.409 20 0 CEADMP CC(C)COc1ccccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422739708 270748566 /nfs/dbraw/zinc/74/85/66/270748566.db2.gz MASQLPDEGHRZLU-CYBMUJFWSA-N 2 1 262.397 2.419 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422797980 270773139 /nfs/dbraw/zinc/77/31/39/270773139.db2.gz PHBQWZITGPMOJK-ZBFHGGJFSA-N 3 1 267.461 2.358 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422797980 270773141 /nfs/dbraw/zinc/77/31/41/270773141.db2.gz PHBQWZITGPMOJK-ZBFHGGJFSA-N 3 1 267.461 2.358 20 0 CEADMP CCOC1CC(CC[NH2+][C@H](C)c2c[nH+]ccc2N)C1 ZINC000423067722 270827007 /nfs/dbraw/zinc/82/70/07/270827007.db2.gz ICCLGUUYKSXCQD-PNESKVBLSA-N 2 1 263.385 2.350 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)CC2 ZINC000423079419 270830182 /nfs/dbraw/zinc/83/01/82/270830182.db2.gz QTRYBUOFAXRJMN-BPUTZDHNSA-N 2 1 290.455 2.442 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423245080 270881415 /nfs/dbraw/zinc/88/14/15/270881415.db2.gz YCDJESDQKQSDTB-ULQDDVLXSA-N 2 1 273.424 2.164 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424239120 271033588 /nfs/dbraw/zinc/03/35/88/271033588.db2.gz LMKYHZXFQGQRLL-OAHLLOKOSA-N 2 1 275.396 2.267 20 0 CEADMP CCC(CC)[C@H](C[NH2+]C1CC(CC(=O)OC)C1)[NH+](C)C ZINC000424271552 271037863 /nfs/dbraw/zinc/03/78/63/271037863.db2.gz SEZZQHWISJJEJZ-ZALBZXLWSA-N 2 1 284.444 2.284 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)CC1(O)CCCCCC1 ZINC000426257127 271207059 /nfs/dbraw/zinc/20/70/59/271207059.db2.gz ONSQWUTVXYDUCU-UHFFFAOYSA-N 2 1 265.401 2.209 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)CC1(O)CCCCCC1 ZINC000426257127 271207063 /nfs/dbraw/zinc/20/70/63/271207063.db2.gz ONSQWUTVXYDUCU-UHFFFAOYSA-N 2 1 265.401 2.209 20 0 CEADMP CCc1ccc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428040429 271241100 /nfs/dbraw/zinc/24/11/00/271241100.db2.gz WGUFVZTXVQFUIL-DLBZAZTESA-N 2 1 258.409 2.475 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@]1(C)CCCO1 ZINC000428215342 271246484 /nfs/dbraw/zinc/24/64/84/271246484.db2.gz AXYRLKKUVKNCAM-GUTXKFCHSA-N 2 1 252.402 2.018 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCOC1 ZINC000429231639 271315823 /nfs/dbraw/zinc/31/58/23/271315823.db2.gz PVXKKNVHEFRIKV-AWEZNQCLSA-N 2 1 265.401 2.194 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCOC1 ZINC000429231639 271315825 /nfs/dbraw/zinc/31/58/25/271315825.db2.gz PVXKKNVHEFRIKV-AWEZNQCLSA-N 2 1 265.401 2.194 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C)CC2(OC)CCC2)CC1 ZINC000429515567 271334430 /nfs/dbraw/zinc/33/44/30/271334430.db2.gz NTJMPHUPRLVSPR-CQSZACIVSA-N 2 1 284.444 2.035 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCC[C@H]2C)[C@H](C)C1 ZINC000429804710 271345376 /nfs/dbraw/zinc/34/53/76/271345376.db2.gz PRFAXLRFEXPPDF-OAGGEKHMSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N2CCC[C@H]2C)[C@H](C)C1 ZINC000429804710 271345378 /nfs/dbraw/zinc/34/53/78/271345378.db2.gz PRFAXLRFEXPPDF-OAGGEKHMSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N2CCC[C@H]2C)[C@H](C)C1 ZINC000429804710 271345381 /nfs/dbraw/zinc/34/53/81/271345381.db2.gz PRFAXLRFEXPPDF-OAGGEKHMSA-N 2 1 295.471 2.050 20 0 CEADMP COc1cccc(CCC[NH2+][C@@](C)(C[NH3+])C2CC2)c1 ZINC000430558358 271390222 /nfs/dbraw/zinc/39/02/22/271390222.db2.gz ABNIKXKTTYETKD-INIZCTEOSA-N 2 1 262.397 2.345 20 0 CEADMP CC[NH2+]CC1CC[NH+]([C@@H](C)c2nc(CC)no2)CC1 ZINC000430579908 271394958 /nfs/dbraw/zinc/39/49/58/271394958.db2.gz GSFFMTORFODWPW-NSHDSACASA-N 2 1 266.389 2.015 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000430577474 271395178 /nfs/dbraw/zinc/39/51/78/271395178.db2.gz NSRRRQGKHZMRIS-LSDHHAIUSA-N 2 1 285.476 2.326 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000430577474 271395180 /nfs/dbraw/zinc/39/51/80/271395180.db2.gz NSRRRQGKHZMRIS-LSDHHAIUSA-N 2 1 285.476 2.326 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000430585286 271396240 /nfs/dbraw/zinc/39/62/40/271396240.db2.gz QIKJWONNKAOFSQ-FZKCQIBNSA-N 2 1 297.487 2.185 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000430585286 271396242 /nfs/dbraw/zinc/39/62/42/271396242.db2.gz QIKJWONNKAOFSQ-FZKCQIBNSA-N 2 1 297.487 2.185 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC(OC(C)(C)C)C2)CCCO1 ZINC000432413428 271490457 /nfs/dbraw/zinc/49/04/57/271490457.db2.gz MKKHCLKUHGAHDT-QQFBHYJXSA-N 2 1 298.471 2.423 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC(OC(C)(C)C)C2)CCCO1 ZINC000432413428 271490460 /nfs/dbraw/zinc/49/04/60/271490460.db2.gz MKKHCLKUHGAHDT-QQFBHYJXSA-N 2 1 298.471 2.423 20 0 CEADMP COc1c(C)cnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1C ZINC000252839776 274088815 /nfs/dbraw/zinc/08/88/15/274088815.db2.gz BEGNSVXNGYRLGX-KKUMJFAQSA-N 2 1 289.423 2.266 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@@H]3CCO[C@@H]3C)CC2)[nH+]c1 ZINC000121336153 274747147 /nfs/dbraw/zinc/74/71/47/274747147.db2.gz LFBOPLISEVDCOX-UKRRQHHQSA-N 2 1 275.396 2.126 20 0 CEADMP FC(F)(F)c1ccccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415037230 274907435 /nfs/dbraw/zinc/90/74/35/274907435.db2.gz MQVHWUANHNOXQH-IAZYJMLFSA-N 2 1 256.271 2.013 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCSCC1 ZINC000159905129 275396231 /nfs/dbraw/zinc/39/62/31/275396231.db2.gz XLDQOSNJJOBWTA-KBPBESRZSA-N 2 1 254.443 2.346 20 0 CEADMP C([C@@H]1CCSC1)[N@H+]1C[C@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000365880975 275397178 /nfs/dbraw/zinc/39/71/78/275397178.db2.gz YTUPLLAXCSOQML-XQLPTFJDSA-N 2 1 266.454 2.156 20 0 CEADMP C([C@@H]1CCSC1)[NH+]1C[C@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365880975 275397180 /nfs/dbraw/zinc/39/71/80/275397180.db2.gz YTUPLLAXCSOQML-XQLPTFJDSA-N 2 1 266.454 2.156 20 0 CEADMP C([C@@H]1CCSC1)[NH+]1C[C@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365880975 275397182 /nfs/dbraw/zinc/39/71/82/275397182.db2.gz YTUPLLAXCSOQML-XQLPTFJDSA-N 2 1 266.454 2.156 20 0 CEADMP CC(C)COC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000414686181 275897083 /nfs/dbraw/zinc/89/70/83/275897083.db2.gz FNXBKSGAWSLIRU-CQSZACIVSA-N 2 1 256.434 2.497 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000037051615 276097770 /nfs/dbraw/zinc/09/77/70/276097770.db2.gz GBOZFCJCRCIJBB-CQSZACIVSA-N 2 1 264.417 2.119 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2c(C)noc2C)C1 ZINC000166185063 276106373 /nfs/dbraw/zinc/10/63/73/276106373.db2.gz CDJVZMIXVNVWLL-HNNXBMFYSA-N 2 1 279.428 2.498 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2c(C)noc2C)C1 ZINC000166185063 276106374 /nfs/dbraw/zinc/10/63/74/276106374.db2.gz CDJVZMIXVNVWLL-HNNXBMFYSA-N 2 1 279.428 2.498 20 0 CEADMP CC1(C)CC[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000335643617 276115554 /nfs/dbraw/zinc/11/55/54/276115554.db2.gz QVWFPQLINNSAES-HWOWSKLDSA-N 2 1 279.472 2.371 20 0 CEADMP CC1(C[NH2+][C@@H]2C[C@H](N)c3ccccc32)CC[NH2+]CC1 ZINC000335568842 276168565 /nfs/dbraw/zinc/16/85/65/276168565.db2.gz MKGHRZUSGJVBRD-LSDHHAIUSA-N 2 1 259.397 2.111 20 0 CEADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369020635 276180493 /nfs/dbraw/zinc/18/04/93/276180493.db2.gz ZOHHPBHDIWSFCA-LUKYLMHMSA-N 2 1 278.440 2.432 20 0 CEADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369020635 276180495 /nfs/dbraw/zinc/18/04/95/276180495.db2.gz ZOHHPBHDIWSFCA-LUKYLMHMSA-N 2 1 278.440 2.432 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000359252246 276245922 /nfs/dbraw/zinc/24/59/22/276245922.db2.gz OOPPAAYQUQWQDL-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000359252246 276245925 /nfs/dbraw/zinc/24/59/25/276245925.db2.gz OOPPAAYQUQWQDL-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000359252246 276245927 /nfs/dbraw/zinc/24/59/27/276245927.db2.gz OOPPAAYQUQWQDL-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000348379603 276331662 /nfs/dbraw/zinc/33/16/62/276331662.db2.gz KFFJUQPWZBGRPG-AVGNSLFASA-N 2 1 296.377 2.400 20 0 CEADMP CC(=O)NC1CCC([NH2+][C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000187570130 277024837 /nfs/dbraw/zinc/02/48/37/277024837.db2.gz XQXZNFXHOQZVFK-OOHWJJMZSA-N 2 1 295.471 2.288 20 0 CEADMP C[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000229937337 277026309 /nfs/dbraw/zinc/02/63/09/277026309.db2.gz NPBLZYCKIMACGZ-IAGOWNOFSA-N 2 1 273.424 2.453 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000234342054 277031480 /nfs/dbraw/zinc/03/14/80/277031480.db2.gz KEHQAQJRPISOKW-INIZCTEOSA-N 2 1 260.381 2.453 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCc3occc32)CC1 ZINC000249021500 277051666 /nfs/dbraw/zinc/05/16/66/277051666.db2.gz KGUCPTMWOJROMC-INIZCTEOSA-N 2 1 291.439 2.274 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3Cc4ccccc4[C@@H]3O)C2)C1 ZINC000293010657 277086966 /nfs/dbraw/zinc/08/69/66/277086966.db2.gz PRDIMNOVGPPOLL-SQNIBIBYSA-N 2 1 286.419 2.062 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3Cc4ccccc4[C@@H]3O)C2)C1 ZINC000293010657 277086967 /nfs/dbraw/zinc/08/69/67/277086967.db2.gz PRDIMNOVGPPOLL-SQNIBIBYSA-N 2 1 286.419 2.062 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3Cc4ccccc4[C@@H]3O)C2)C1 ZINC000293010657 277086968 /nfs/dbraw/zinc/08/69/68/277086968.db2.gz PRDIMNOVGPPOLL-SQNIBIBYSA-N 2 1 286.419 2.062 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOC2)[C@H]1c1ccccc1 ZINC000371519944 277163173 /nfs/dbraw/zinc/16/31/73/277163173.db2.gz OUGVFTGZVQMHIS-IXDOHACOSA-N 2 1 274.408 2.448 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000353531883 277170627 /nfs/dbraw/zinc/17/06/27/277170627.db2.gz PWSGQLKOCQHREN-HRCADAONSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)CC[C@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000154274582 277367610 /nfs/dbraw/zinc/36/76/10/277367610.db2.gz BSVGUSPXXAUPHW-QLFBSQMISA-N 2 1 256.434 2.103 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000341184715 278013996 /nfs/dbraw/zinc/01/39/96/278013996.db2.gz JWTLKKXWUUBSOY-BPUTZDHNSA-N 2 1 289.423 2.238 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC(C(F)(F)F)C2)CC[N@@H+]1C ZINC000336323242 278024917 /nfs/dbraw/zinc/02/49/17/278024917.db2.gz LPLUOVPLHRGHIX-BZCXBAJXSA-N 2 1 250.308 2.400 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC(C(F)(F)F)C2)CC[N@H+]1C ZINC000336323242 278024918 /nfs/dbraw/zinc/02/49/18/278024918.db2.gz LPLUOVPLHRGHIX-BZCXBAJXSA-N 2 1 250.308 2.400 20 0 CEADMP COc1cccc2c1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000336054443 278027442 /nfs/dbraw/zinc/02/74/42/278027442.db2.gz AUEKNBSVONPHEK-UHFFFAOYSA-N 2 1 260.381 2.053 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261958724 278028617 /nfs/dbraw/zinc/02/86/17/278028617.db2.gz OZUUJIMAOFLRHD-CQSZACIVSA-N 2 1 274.408 2.095 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000364811012 278125862 /nfs/dbraw/zinc/12/58/62/278125862.db2.gz ZGLFCJWLFQCOMV-RRFJBIMHSA-N 2 1 298.496 2.361 20 0 CEADMP C[C@H](CCO)C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCC1 ZINC000344295561 278174648 /nfs/dbraw/zinc/17/46/48/278174648.db2.gz UINWOESLCSIUSV-KLHDSHLOSA-N 2 1 282.472 2.494 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000229638377 278216490 /nfs/dbraw/zinc/21/64/90/278216490.db2.gz FUUQVGKRHVOUDE-DYEKYZERSA-N 2 1 250.390 2.371 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000252795293 278216892 /nfs/dbraw/zinc/21/68/92/278216892.db2.gz AMLFFELSKNVVNW-MCIONIFRSA-N 2 1 283.460 2.190 20 0 CEADMP C[C@@H](C[N@H+](C)C[C@@H](O)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000415065135 278240456 /nfs/dbraw/zinc/24/04/56/278240456.db2.gz FLJNKWHQNBTLOB-GWCFXTLKSA-N 2 1 290.329 2.060 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000415065135 278240458 /nfs/dbraw/zinc/24/04/58/278240458.db2.gz FLJNKWHQNBTLOB-GWCFXTLKSA-N 2 1 290.329 2.060 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000352745381 278267515 /nfs/dbraw/zinc/26/75/15/278267515.db2.gz JEFIDPBPCHHNGT-RIUYPTKQSA-N 2 1 293.499 2.425 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000352745381 278267517 /nfs/dbraw/zinc/26/75/17/278267517.db2.gz JEFIDPBPCHHNGT-RIUYPTKQSA-N 2 1 293.499 2.425 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352745381 278267518 /nfs/dbraw/zinc/26/75/18/278267518.db2.gz JEFIDPBPCHHNGT-RIUYPTKQSA-N 2 1 293.499 2.425 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352745381 278267519 /nfs/dbraw/zinc/26/75/19/278267519.db2.gz JEFIDPBPCHHNGT-RIUYPTKQSA-N 2 1 293.499 2.425 20 0 CEADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000305772074 278286837 /nfs/dbraw/zinc/28/68/37/278286837.db2.gz SLZRJQIIRFIWKA-XDQVBPFNSA-N 2 1 256.434 2.102 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000334649571 278313571 /nfs/dbraw/zinc/31/35/71/278313571.db2.gz JAZBDHKKAHYUED-TZMCWYRMSA-N 2 1 259.397 2.214 20 0 CEADMP CC(C)(C)NC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000228335568 278356931 /nfs/dbraw/zinc/35/69/31/278356931.db2.gz BSOBFTVESJMHLS-KBPBESRZSA-N 2 1 275.396 2.026 20 0 CEADMP C[C@H]1CC[C@H](C[NH+]2CCC3(CCC[N@@H+]3C)CC2)O1 ZINC000335866202 278382271 /nfs/dbraw/zinc/38/22/71/278382271.db2.gz SFCQZIDJIJABEM-UONOGXRCSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@H]1CC[C@H](C[NH+]2CCC3(CCC[N@H+]3C)CC2)O1 ZINC000335866202 278382272 /nfs/dbraw/zinc/38/22/72/278382272.db2.gz SFCQZIDJIJABEM-UONOGXRCSA-N 2 1 252.402 2.114 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(CC[C@H]2CCCC[NH+]2C)C1 ZINC000351229195 279036907 /nfs/dbraw/zinc/03/69/07/279036907.db2.gz QVHAGIKKRHDBFS-JKSUJKDBSA-N 2 1 267.461 2.134 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351229195 279036908 /nfs/dbraw/zinc/03/69/08/279036908.db2.gz QVHAGIKKRHDBFS-JKSUJKDBSA-N 2 1 267.461 2.134 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351229195 279036909 /nfs/dbraw/zinc/03/69/09/279036909.db2.gz QVHAGIKKRHDBFS-JKSUJKDBSA-N 2 1 267.461 2.134 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000340434518 279055014 /nfs/dbraw/zinc/05/50/14/279055014.db2.gz PYKHYNRSRPLGKO-BETUJISGSA-N 2 1 294.443 2.006 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000340206916 279093990 /nfs/dbraw/zinc/09/39/90/279093990.db2.gz RKLODKXMHUXYPZ-HUUCEWRRSA-N 2 1 256.434 2.201 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000157786591 288107324 /nfs/dbraw/zinc/10/73/24/288107324.db2.gz WGWJLPJVGAUPTC-JLHFOLKXSA-N 2 1 266.429 2.262 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](C[C@H](C)O)CC1)CC(C)C ZINC000337188778 279176964 /nfs/dbraw/zinc/17/69/64/279176964.db2.gz QZTOCVZGHFXDKW-HNNXBMFYSA-N 2 1 270.461 2.447 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000361350037 279350094 /nfs/dbraw/zinc/35/00/94/279350094.db2.gz BEGRWMVXLOKARU-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000361350037 279350096 /nfs/dbraw/zinc/35/00/96/279350096.db2.gz BEGRWMVXLOKARU-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000361350037 279350098 /nfs/dbraw/zinc/35/00/98/279350098.db2.gz BEGRWMVXLOKARU-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000361350037 279350100 /nfs/dbraw/zinc/35/01/00/279350100.db2.gz BEGRWMVXLOKARU-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000361350037 279350102 /nfs/dbraw/zinc/35/01/02/279350102.db2.gz BEGRWMVXLOKARU-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCSCC2)C[C@H](C)O1 ZINC000126820638 288160325 /nfs/dbraw/zinc/16/03/25/288160325.db2.gz OTWMKGNYHOMUDH-OKILXGFUSA-N 2 1 286.485 2.361 20 0 CEADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412115875 280011112 /nfs/dbraw/zinc/01/11/12/280011112.db2.gz BHDUWQWNOQCTGH-QXSJWSMHSA-N 2 1 295.471 2.046 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412115875 280011113 /nfs/dbraw/zinc/01/11/13/280011113.db2.gz BHDUWQWNOQCTGH-QXSJWSMHSA-N 2 1 295.471 2.046 20 0 CEADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412115875 280011114 /nfs/dbraw/zinc/01/11/14/280011114.db2.gz BHDUWQWNOQCTGH-QXSJWSMHSA-N 2 1 295.471 2.046 20 0 CEADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412115875 280011115 /nfs/dbraw/zinc/01/11/15/280011115.db2.gz BHDUWQWNOQCTGH-QXSJWSMHSA-N 2 1 295.471 2.046 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2COc3ccccc3C2)CC[N@@H+]1C ZINC000164301646 280013782 /nfs/dbraw/zinc/01/37/82/280013782.db2.gz FTNALHBGAQRCPZ-NWANDNLSSA-N 2 1 260.381 2.062 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2COc3ccccc3C2)CC[N@H+]1C ZINC000164301646 280013784 /nfs/dbraw/zinc/01/37/84/280013784.db2.gz FTNALHBGAQRCPZ-NWANDNLSSA-N 2 1 260.381 2.062 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869548 280031745 /nfs/dbraw/zinc/03/17/45/280031745.db2.gz TZGVQPAIKIVYKO-ZBFHGGJFSA-N 2 1 266.429 2.362 20 0 CEADMP CCOCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134869548 280031750 /nfs/dbraw/zinc/03/17/50/280031750.db2.gz TZGVQPAIKIVYKO-ZBFHGGJFSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H](NCC[C@H]1CCC[N@H+]1C)c1cn(-c2ccccc2)nn1 ZINC000185457240 280124468 /nfs/dbraw/zinc/12/44/68/280124468.db2.gz GDBXCYCDSNWNME-HUUCEWRRSA-N 2 1 299.422 2.402 20 0 CEADMP O=C1NCCCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000334554441 280285176 /nfs/dbraw/zinc/28/51/76/280285176.db2.gz SIPCAYJYJIDHES-INIZCTEOSA-N 2 1 293.455 2.042 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCOCC(F)(F)F)[C@@H](C)C1 ZINC000246805297 280310425 /nfs/dbraw/zinc/31/04/25/280310425.db2.gz AHMQZFQQWPQSFY-RYUDHWBXSA-N 2 1 282.350 2.275 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C12CCC2 ZINC000246836729 280311494 /nfs/dbraw/zinc/31/14/94/280311494.db2.gz JUKOYODTFSLZMB-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000246854982 280312188 /nfs/dbraw/zinc/31/21/88/280312188.db2.gz CFTFLMROLAZXHF-FZKCQIBNSA-N 3 1 267.461 2.179 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000246854982 280312189 /nfs/dbraw/zinc/31/21/89/280312189.db2.gz CFTFLMROLAZXHF-FZKCQIBNSA-N 3 1 267.461 2.179 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247034815 280318592 /nfs/dbraw/zinc/31/85/92/280318592.db2.gz LMBIQOXJFPVMPU-NFAWXSAZSA-N 2 1 276.428 2.260 20 0 CEADMP COC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000247063249 280319449 /nfs/dbraw/zinc/31/94/49/280319449.db2.gz NXJSNMHYUFBOOF-IHRRRGAJSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000247133833 280321413 /nfs/dbraw/zinc/32/14/13/280321413.db2.gz RVDWUEXOYXXZID-QKPAOTATSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000247133833 280321414 /nfs/dbraw/zinc/32/14/14/280321414.db2.gz RVDWUEXOYXXZID-QKPAOTATSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000247133833 280321415 /nfs/dbraw/zinc/32/14/15/280321415.db2.gz RVDWUEXOYXXZID-QKPAOTATSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247133813 280321500 /nfs/dbraw/zinc/32/15/00/280321500.db2.gz RVDWUEXOYXXZID-LVQVYYBASA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247133813 280321501 /nfs/dbraw/zinc/32/15/01/280321501.db2.gz RVDWUEXOYXXZID-LVQVYYBASA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CCC[NH+](CCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247133813 280321502 /nfs/dbraw/zinc/32/15/02/280321502.db2.gz RVDWUEXOYXXZID-LVQVYYBASA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)CC[N@@H+]1C ZINC000248184774 280343129 /nfs/dbraw/zinc/34/31/29/280343129.db2.gz XCBRBQVYMSTAAU-UPJWGTAASA-N 2 1 254.418 2.405 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)CC[N@H+]1C ZINC000248184774 280343130 /nfs/dbraw/zinc/34/31/30/280343130.db2.gz XCBRBQVYMSTAAU-UPJWGTAASA-N 2 1 254.418 2.405 20 0 CEADMP CO[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248539568 280351758 /nfs/dbraw/zinc/35/17/58/280351758.db2.gz AVXBSADRSPNDNQ-MCIONIFRSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@@H+](CC[C@H]1CCCO1)CC[C@@H]1CCCC[NH+]1C ZINC000248885073 280371541 /nfs/dbraw/zinc/37/15/41/280371541.db2.gz XQUHCBUAZWDPAH-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP C[NH+](CC[C@H]1CCCO1)CC[C@@H]1CCCC[N@@H+]1C ZINC000248885073 280371542 /nfs/dbraw/zinc/37/15/42/280371542.db2.gz XQUHCBUAZWDPAH-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP C[NH+](CC[C@H]1CCCO1)CC[C@@H]1CCCC[N@H+]1C ZINC000248885073 280371543 /nfs/dbraw/zinc/37/15/43/280371543.db2.gz XQUHCBUAZWDPAH-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422839618 280933050 /nfs/dbraw/zinc/93/30/50/280933050.db2.gz QWSUZCRFWQYOFP-DUVNUKRYSA-N 3 1 290.455 2.372 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000423052652 281012034 /nfs/dbraw/zinc/01/20/34/281012034.db2.gz QFWLWIJZOJQTBO-RZLSGREXSA-N 2 1 263.429 2.393 20 0 CEADMP COc1cc(Br)ccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423060570 281015096 /nfs/dbraw/zinc/01/50/96/281015096.db2.gz IMGRYGYFXRESOP-VIFPVBQESA-N 2 1 299.212 2.155 20 0 CEADMP COCC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CCCC1 ZINC000423162360 281020604 /nfs/dbraw/zinc/02/06/04/281020604.db2.gz KTNXRLFREQWGKI-GFCCVEGCSA-N 2 1 263.385 2.352 20 0 CEADMP C[C@H]([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000423162801 281021218 /nfs/dbraw/zinc/02/12/18/281021218.db2.gz QFWLWZRVFOOLLQ-MCIONIFRSA-N 2 1 254.443 2.204 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000423330554 281023660 /nfs/dbraw/zinc/02/36/60/281023660.db2.gz CDDQGBIUITXARK-RCBQFDQVSA-N 2 1 287.407 2.063 20 0 CEADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000423380248 281026523 /nfs/dbraw/zinc/02/65/23/281026523.db2.gz NMIGSQUKDROCQF-AVGNSLFASA-N 2 1 278.396 2.495 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000423401545 281028147 /nfs/dbraw/zinc/02/81/47/281028147.db2.gz QZSXVSPPBIUELL-NHCYSSNCSA-N 2 1 282.409 2.183 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000423402473 281028697 /nfs/dbraw/zinc/02/86/97/281028697.db2.gz XRWSASZYMHISKW-ILTLLKDXSA-N 2 1 282.428 2.229 20 0 CEADMP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423434738 281040637 /nfs/dbraw/zinc/04/06/37/281040637.db2.gz QKXNULWUJNOTQQ-LQKXBSAESA-N 2 1 267.376 2.353 20 0 CEADMP COCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1OC ZINC000423437591 281041840 /nfs/dbraw/zinc/04/18/40/281041840.db2.gz GIHNNZKIUVFRJZ-UPJWGTAASA-N 2 1 296.411 2.107 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000423439587 281043125 /nfs/dbraw/zinc/04/31/25/281043125.db2.gz AFFKTQJYVKQMFW-TZMCWYRMSA-N 2 1 296.411 2.108 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2cc[nH+]c(N(C)C)c2)cc1 ZINC000423440451 281043658 /nfs/dbraw/zinc/04/36/58/281043658.db2.gz SZEBSTJHZVWKLB-LLVKDONJSA-N 2 1 284.363 2.420 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2CCc3ccccc3OC2)C[C@@]1(C)C[NH3+] ZINC000423513779 281058812 /nfs/dbraw/zinc/05/88/12/281058812.db2.gz SFAWKIKQIMPVKB-UKPHBRMFSA-N 2 1 274.408 2.297 20 0 CEADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)C1CCCC1 ZINC000423514380 281059315 /nfs/dbraw/zinc/05/93/15/281059315.db2.gz WJQDYTWMKXLCQV-HZPDHXFCSA-N 2 1 274.408 2.487 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000423770051 281088166 /nfs/dbraw/zinc/08/81/66/281088166.db2.gz GZYJLOCTFQWKIV-LSDHHAIUSA-N 2 1 283.460 2.003 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000423796006 281096386 /nfs/dbraw/zinc/09/63/86/281096386.db2.gz GTWYNDGAKRQOQJ-OAGGEKHMSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424379511 281154312 /nfs/dbraw/zinc/15/43/12/281154312.db2.gz VNJSDYPZUPCART-DDBAPUKQSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424379511 281154313 /nfs/dbraw/zinc/15/43/13/281154313.db2.gz VNJSDYPZUPCART-DDBAPUKQSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1([NH3+])CCCCCC1 ZINC000428573008 281198058 /nfs/dbraw/zinc/19/80/58/281198058.db2.gz LNNWFJVPQZEUNS-OKILXGFUSA-N 2 1 281.444 2.027 20 0 CEADMP COC1(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCOCC1 ZINC000428876597 281205013 /nfs/dbraw/zinc/20/50/13/281205013.db2.gz NBUMOAGIGZTYAV-MRXNPFEDSA-N 2 1 298.471 2.426 20 0 CEADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C[C@@H](C)C1 ZINC000429003997 281214636 /nfs/dbraw/zinc/21/46/36/281214636.db2.gz ZCBYVRJINSTOJU-NCOADZHNSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@@H]1C[C@@H]1[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H](C)C1 ZINC000429003997 281214638 /nfs/dbraw/zinc/21/46/38/281214638.db2.gz ZCBYVRJINSTOJU-NCOADZHNSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@@H]1C[C@@H]1[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@@H](C)C1 ZINC000429003997 281214640 /nfs/dbraw/zinc/21/46/40/281214640.db2.gz ZCBYVRJINSTOJU-NCOADZHNSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@@H]1C[C@H]1[N@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C[C@@H](C)C1 ZINC000429004001 281214737 /nfs/dbraw/zinc/21/47/37/281214737.db2.gz ZCBYVRJINSTOJU-WCXIOVBPSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@@H]1C[C@H]1[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H](C)C1 ZINC000429004001 281214741 /nfs/dbraw/zinc/21/47/41/281214741.db2.gz ZCBYVRJINSTOJU-WCXIOVBPSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@@H]1C[C@H]1[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@@H](C)C1 ZINC000429004001 281214744 /nfs/dbraw/zinc/21/47/44/281214744.db2.gz ZCBYVRJINSTOJU-WCXIOVBPSA-N 2 1 279.472 2.133 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCOc3cccc(F)c3)C2)C1 ZINC000429015984 281217244 /nfs/dbraw/zinc/21/72/44/281217244.db2.gz AFIOLYAQQGDXKU-MRXNPFEDSA-N 2 1 278.371 2.232 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCOc3cccc(F)c3)C2)C1 ZINC000429015984 281217249 /nfs/dbraw/zinc/21/72/49/281217249.db2.gz AFIOLYAQQGDXKU-MRXNPFEDSA-N 2 1 278.371 2.232 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCOc3cccc(F)c3)C2)C1 ZINC000429015984 281217252 /nfs/dbraw/zinc/21/72/52/281217252.db2.gz AFIOLYAQQGDXKU-MRXNPFEDSA-N 2 1 278.371 2.232 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCOc3cccc(F)c3)C2)C1 ZINC000429015984 281217255 /nfs/dbraw/zinc/21/72/55/281217255.db2.gz AFIOLYAQQGDXKU-MRXNPFEDSA-N 2 1 278.371 2.232 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2nc3ccccc3n2C)C1 ZINC000430634986 281271974 /nfs/dbraw/zinc/27/19/74/281271974.db2.gz UDQNVMGSYVPGQR-AWEZNQCLSA-N 2 1 286.423 2.047 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000430810987 281278049 /nfs/dbraw/zinc/27/80/49/281278049.db2.gz XLMNXASWVXYGTL-LSDHHAIUSA-N 2 1 283.460 2.132 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430937900 281283497 /nfs/dbraw/zinc/28/34/97/281283497.db2.gz GCDXOYDTFDOTTE-XJKSGUPXSA-N 2 1 278.396 2.133 20 0 CEADMP CC(C)[C@H]([NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000432725637 281336677 /nfs/dbraw/zinc/33/66/77/281336677.db2.gz AQVKPYJOUDRXRB-ZDUSSCGKSA-N 2 1 274.368 2.454 20 0 CEADMP COCC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCCSC1 ZINC000433178862 281373629 /nfs/dbraw/zinc/37/36/29/281373629.db2.gz CRSVINNNCLTCSP-CQSZACIVSA-N 2 1 283.441 2.036 20 0 CEADMP COCC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCCSC1 ZINC000433178862 281373631 /nfs/dbraw/zinc/37/36/31/281373631.db2.gz CRSVINNNCLTCSP-CQSZACIVSA-N 2 1 283.441 2.036 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000435396327 281388172 /nfs/dbraw/zinc/38/81/72/281388172.db2.gz YBTXPWXPJARCNE-ZDUSSCGKSA-N 2 1 288.395 2.410 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000435396327 281388175 /nfs/dbraw/zinc/38/81/75/281388175.db2.gz YBTXPWXPJARCNE-ZDUSSCGKSA-N 2 1 288.395 2.410 20 0 CEADMP C[C@@H]1COCC[NH+](CCCCC[N@@H+]2CCOC[C@@H](C)C2)C1 ZINC000378284133 288334158 /nfs/dbraw/zinc/33/41/58/288334158.db2.gz FDBHYEDQKHAFMC-IRXDYDNUSA-N 2 1 298.471 2.093 20 0 CEADMP CCC(C)(C)C1CCC([NH2+]C[C@H]2C[NH2+]CCN2C)CC1 ZINC000414976842 281980544 /nfs/dbraw/zinc/98/05/44/281980544.db2.gz OSRMORWWDRDUCS-UYSNPLJNSA-N 2 1 281.488 2.475 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000356319618 282019272 /nfs/dbraw/zinc/01/92/72/282019272.db2.gz ZPVDYPDKSGLECZ-PBHICJAKSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](Cc2nccnc2OC)CC1 ZINC000449011668 282067449 /nfs/dbraw/zinc/06/74/49/282067449.db2.gz SLOOTJBAAOLWIT-UHFFFAOYSA-N 2 1 292.427 2.039 20 0 CEADMP C[NH+](C)CC1(C[NH2+][C@H]2CCCc3n[nH]cc32)CCCC1 ZINC000367725514 282075359 /nfs/dbraw/zinc/07/53/59/282075359.db2.gz KVLXLDVSOZREHN-AWEZNQCLSA-N 2 1 276.428 2.499 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc3cccnc3o2)C1 ZINC000449033167 282076786 /nfs/dbraw/zinc/07/67/86/282076786.db2.gz CKSUSQZLBHKESN-GFCCVEGCSA-N 2 1 259.353 2.211 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3cccnc3o2)C1 ZINC000449033167 282076787 /nfs/dbraw/zinc/07/67/87/282076787.db2.gz CKSUSQZLBHKESN-GFCCVEGCSA-N 2 1 259.353 2.211 20 0 CEADMP CC[C@H](CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C)[NH+]1CCCC1 ZINC000151672232 289064157 /nfs/dbraw/zinc/06/41/57/289064157.db2.gz ISGOHRILDAQVSB-ARFHVFGLSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+](C)CC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000355069228 289094479 /nfs/dbraw/zinc/09/44/79/289094479.db2.gz RKOMOMYEYHZVIW-CVEARBPZSA-N 2 1 279.472 2.325 20 0 CEADMP C[NH+](C)CC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000355069228 289094481 /nfs/dbraw/zinc/09/44/81/289094481.db2.gz RKOMOMYEYHZVIW-CVEARBPZSA-N 3 1 279.472 2.325 20 0 CEADMP C[NH+](C)CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000355069228 289094485 /nfs/dbraw/zinc/09/44/85/289094485.db2.gz RKOMOMYEYHZVIW-CVEARBPZSA-N 3 1 279.472 2.325 20 0 CEADMP C(C[NH+]1C[C@H]2CCC[C@@H]2C1)OCC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153018082 289103162 /nfs/dbraw/zinc/10/31/62/289103162.db2.gz KLRZCYBZZVMNBT-TVFCKZIOSA-N 2 1 292.467 2.467 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000401770994 289288511 /nfs/dbraw/zinc/28/85/11/289288511.db2.gz OICCDNFVTIILAQ-OAHLLOKOSA-N 2 1 255.365 2.110 20 0 CEADMP C[N@H+]1CCN(C(=O)CCCCCC[NH3+])C2(CCCCC2)C1 ZINC000237133887 290010785 /nfs/dbraw/zinc/01/07/85/290010785.db2.gz BLGHJUPSKQZXBP-UHFFFAOYSA-N 2 1 295.471 2.373 20 0 CEADMP C[C@@H](CNC1CC[NH+](C2CC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000459380788 290132178 /nfs/dbraw/zinc/13/21/78/290132178.db2.gz UIPXTGHPXJAVFV-CABCVRRESA-N 2 1 279.472 2.323 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)[C@@H]1SC ZINC000459388587 290133745 /nfs/dbraw/zinc/13/37/45/290133745.db2.gz LXWNIWNOMRWRSL-XQLPTFJDSA-N 2 1 286.485 2.217 20 0 CEADMP OC[C@H](CC1CCCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459450755 290152259 /nfs/dbraw/zinc/15/22/59/290152259.db2.gz KMHIAZCVKUWDJV-HNNXBMFYSA-N 2 1 266.429 2.144 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCOCC3CCCC3)C2)C1 ZINC000459486162 290162101 /nfs/dbraw/zinc/16/21/01/290162101.db2.gz FNCOQBVRQALFDI-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCOCC3CCCC3)C2)C1 ZINC000459486162 290162104 /nfs/dbraw/zinc/16/21/04/290162104.db2.gz FNCOQBVRQALFDI-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCOCC3CCCC3)C2)C1 ZINC000459486162 290162107 /nfs/dbraw/zinc/16/21/07/290162107.db2.gz FNCOQBVRQALFDI-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCOCC3CCCC3)C2)C1 ZINC000459486162 290162111 /nfs/dbraw/zinc/16/21/11/290162111.db2.gz FNCOQBVRQALFDI-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP FC(F)O[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459528467 290171429 /nfs/dbraw/zinc/17/14/29/290171429.db2.gz CHOCATKUZAKEGM-CHWSQXEVSA-N 2 1 274.355 2.363 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1SC ZINC000459565136 290180914 /nfs/dbraw/zinc/18/09/14/290180914.db2.gz FZUIVTPOHPTAQW-JKMBVOABSA-N 2 1 284.469 2.110 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCCO)[C@@H]2CCC[C@H]21 ZINC000375802788 290215937 /nfs/dbraw/zinc/21/59/37/290215937.db2.gz WORXUGZRISKBRG-SOUVJXGZSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)[C@@H]2CCC[C@H]21 ZINC000353523168 290223306 /nfs/dbraw/zinc/22/33/06/290223306.db2.gz WYAIQPCHCPKPRG-ZOBORPQBSA-N 2 1 254.443 2.344 20 0 CEADMP CCn1nc(C)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000459744745 290224305 /nfs/dbraw/zinc/22/43/05/290224305.db2.gz XTYQHNMBDDLVFS-HNNXBMFYSA-N 2 1 278.444 2.341 20 0 CEADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1c(C)nn(C)c1C ZINC000471779591 290282427 /nfs/dbraw/zinc/28/24/27/290282427.db2.gz JJOQLCYRGCKHJT-AWEZNQCLSA-N 2 1 275.400 2.054 20 0 CEADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1c(C)nn(C)c1C ZINC000471779592 290282857 /nfs/dbraw/zinc/28/28/57/290282857.db2.gz JJOQLCYRGCKHJT-CQSZACIVSA-N 2 1 275.400 2.054 20 0 CEADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@H]1CC1(C)C ZINC000487319112 290342243 /nfs/dbraw/zinc/34/22/43/290342243.db2.gz IOYFHKGHPWPTEG-GOEBONIOSA-N 2 1 281.488 2.284 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C)C1 ZINC000488351780 290392052 /nfs/dbraw/zinc/39/20/52/290392052.db2.gz MVIQFTQSPJKTKB-QLFBSQMISA-N 2 1 254.418 2.075 20 0 CEADMP COCCSCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000488435317 290399212 /nfs/dbraw/zinc/39/92/12/290399212.db2.gz VGIAQEYSRJNCCN-KBPBESRZSA-N 2 1 274.474 2.171 20 0 CEADMP COCCSCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000488435317 290399205 /nfs/dbraw/zinc/39/92/05/290399205.db2.gz VGIAQEYSRJNCCN-KBPBESRZSA-N 2 1 274.474 2.171 20 0 CEADMP COCCSCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000488435317 290399208 /nfs/dbraw/zinc/39/92/08/290399208.db2.gz VGIAQEYSRJNCCN-KBPBESRZSA-N 2 1 274.474 2.171 20 0 CEADMP COCCSCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000488435317 290399210 /nfs/dbraw/zinc/39/92/10/290399210.db2.gz VGIAQEYSRJNCCN-KBPBESRZSA-N 2 1 274.474 2.171 20 0 CEADMP C[C@@H](C[NH2+]Cc1scnc1C1CC1)C[NH+](C)C ZINC000491560480 290524699 /nfs/dbraw/zinc/52/46/99/290524699.db2.gz PJJHNDWGFHRBEM-JTQLQIEISA-N 2 1 253.415 2.308 20 0 CEADMP C[NH+](C)C/C=C\C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000492010294 290564402 /nfs/dbraw/zinc/56/44/02/290564402.db2.gz UTKFVDRDEQZTMR-WAYWQWQTSA-N 2 1 295.814 2.458 20 0 CEADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000250634884 294674750 /nfs/dbraw/zinc/67/47/50/294674750.db2.gz FGQXDNCMOPSETP-VWYCJHECSA-N 2 1 250.308 2.449 20 0 CEADMP [NH3+]C1CCC([N@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000335008209 295210714 /nfs/dbraw/zinc/21/07/14/295210714.db2.gz IPBFZQSLOPZDDD-RUXDESIVSA-N 2 1 254.443 2.475 20 0 CEADMP [NH3+]CC1(CC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCCCC1 ZINC000252881128 295222813 /nfs/dbraw/zinc/22/28/13/295222813.db2.gz ZQFGSSLSSDZWGE-HUUCEWRRSA-N 2 1 293.455 2.029 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000371264680 295314259 /nfs/dbraw/zinc/31/42/59/295314259.db2.gz PVUHGTPQZDYERJ-NUEKZKHPSA-N 2 1 293.455 2.027 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncccc3Cl)C[C@H]21 ZINC000530216450 298052755 /nfs/dbraw/zinc/05/27/55/298052755.db2.gz BOCNTPNWNIACHZ-DMDPSCGWSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncccc3Cl)C[C@H]21 ZINC000530216450 298052758 /nfs/dbraw/zinc/05/27/58/298052758.db2.gz BOCNTPNWNIACHZ-DMDPSCGWSA-N 2 1 265.788 2.294 20 0 CEADMP Cn1cc2ccc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])cc2n1 ZINC000530218732 298054445 /nfs/dbraw/zinc/05/44/45/298054445.db2.gz NDGHRFVUDAVDNT-HUUCEWRRSA-N 2 1 272.396 2.323 20 0 CEADMP Cc1ccccc1C[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000530513348 298075597 /nfs/dbraw/zinc/07/55/97/298075597.db2.gz LBVHKFLYQJYMPV-CQSZACIVSA-N 2 1 257.381 2.492 20 0 CEADMP COc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1OC ZINC000531699732 298116080 /nfs/dbraw/zinc/11/60/80/298116080.db2.gz DXTYKXYACHGPRL-ZFWWWQNUSA-N 2 1 292.423 2.176 20 0 CEADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCOCC1 ZINC000531970054 298127270 /nfs/dbraw/zinc/12/72/70/298127270.db2.gz FHOSNSQWTMLVOO-IAGOWNOFSA-N 2 1 298.471 2.018 20 0 CEADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000539062572 298244393 /nfs/dbraw/zinc/24/43/93/298244393.db2.gz ZKBFLBABBHRUSI-BFYDXBDKSA-N 2 1 276.424 2.258 20 0 CEADMP Cc1ccoc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000539863073 298258039 /nfs/dbraw/zinc/25/80/39/298258039.db2.gz GVLSTJYUCFXYSK-INIZCTEOSA-N 2 1 291.439 2.188 20 0 CEADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000566954284 299030584 /nfs/dbraw/zinc/03/05/84/299030584.db2.gz GMJBUZARQOCXJR-BZUAXINKSA-N 2 1 290.455 2.378 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nccn2CCc2ccccc2)C1 ZINC000567291235 299049788 /nfs/dbraw/zinc/04/97/88/299049788.db2.gz VBAFUOHNFAFQQE-IRXDYDNUSA-N 2 1 298.434 2.485 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000567314936 299051770 /nfs/dbraw/zinc/05/17/70/299051770.db2.gz DXORYKNOOBIYGK-XHSDSOJGSA-N 2 1 270.461 2.494 20 0 CEADMP COCC[NH+]1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527644954 313190608 /nfs/dbraw/zinc/19/06/08/313190608.db2.gz KBPUZYWYXSLHQT-UHFFFAOYSA-N 2 1 287.407 2.368 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CC12CC2 ZINC000527858312 313210890 /nfs/dbraw/zinc/21/08/90/313210890.db2.gz JSODMZPOJALJNP-LSDHHAIUSA-N 2 1 278.440 2.410 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000530225371 313285158 /nfs/dbraw/zinc/28/51/58/313285158.db2.gz YUXNOSDAYRBKKR-OIISXLGYSA-N 2 1 292.398 2.067 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000535747775 313395566 /nfs/dbraw/zinc/39/55/66/313395566.db2.gz ZZHCDYVMAZMIPZ-CQSZACIVSA-N 2 1 273.380 2.075 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC000535747775 313395569 /nfs/dbraw/zinc/39/55/69/313395569.db2.gz ZZHCDYVMAZMIPZ-CQSZACIVSA-N 2 1 273.380 2.075 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+]CCc1c[nH+]cn1C)C2 ZINC000564515997 313766344 /nfs/dbraw/zinc/76/63/44/313766344.db2.gz MSHWPHDRCKBSCB-AWEZNQCLSA-N 2 1 285.391 2.118 20 0 CEADMP Cn1ccnc1[C@@H]1CC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000570461179 314042690 /nfs/dbraw/zinc/04/26/90/314042690.db2.gz NFPGYRWUGSGXKK-CHWSQXEVSA-N 2 1 263.385 2.167 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000570838787 314061567 /nfs/dbraw/zinc/06/15/67/314061567.db2.gz CCXBWSYCGJXPNH-KGLIPLIRSA-N 2 1 289.423 2.120 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000571058267 314070815 /nfs/dbraw/zinc/07/08/15/314070815.db2.gz RTOJFBSYYUIMNR-KRWDZBQOSA-N 2 1 287.407 2.456 20 0 CEADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000571276217 314081189 /nfs/dbraw/zinc/08/11/89/314081189.db2.gz VDDRCOLZYYBRDI-BBWFWOEESA-N 2 1 286.419 2.291 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccncc1)C1CC1 ZINC000574218342 314198591 /nfs/dbraw/zinc/19/85/91/314198591.db2.gz ZHVFIBCMQYKXMR-UHFFFAOYSA-N 2 1 270.380 2.412 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccncc1)C1CC1 ZINC000574218342 314198593 /nfs/dbraw/zinc/19/85/93/314198593.db2.gz ZHVFIBCMQYKXMR-UHFFFAOYSA-N 2 1 270.380 2.412 20 0 CEADMP COc1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1C ZINC000575164107 314210983 /nfs/dbraw/zinc/21/09/83/314210983.db2.gz VQPKSVWKOOGYLT-UHFFFAOYSA-N 2 1 250.386 2.387 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CCN1C ZINC000576166470 314249306 /nfs/dbraw/zinc/24/93/06/314249306.db2.gz QBFFQYLQBYFVIM-KDOFPFPSSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@@H](N(C)Cc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1C ZINC000576166470 314249309 /nfs/dbraw/zinc/24/93/09/314249309.db2.gz QBFFQYLQBYFVIM-KDOFPFPSSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@@H](N(C)Cc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1C ZINC000576166470 314249311 /nfs/dbraw/zinc/24/93/11/314249311.db2.gz QBFFQYLQBYFVIM-KDOFPFPSSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1C ZINC000576166470 314249313 /nfs/dbraw/zinc/24/93/13/314249313.db2.gz QBFFQYLQBYFVIM-KDOFPFPSSA-N 3 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1C ZINC000576166470 314249315 /nfs/dbraw/zinc/24/93/15/314249315.db2.gz QBFFQYLQBYFVIM-KDOFPFPSSA-N 3 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC[NH+]1C ZINC000576166470 314249317 /nfs/dbraw/zinc/24/93/17/314249317.db2.gz QBFFQYLQBYFVIM-KDOFPFPSSA-N 3 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC[NH+]1C ZINC000576166470 314249318 /nfs/dbraw/zinc/24/93/18/314249318.db2.gz QBFFQYLQBYFVIM-KDOFPFPSSA-N 3 1 287.451 2.247 20 0 CEADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000576271823 314258431 /nfs/dbraw/zinc/25/84/31/314258431.db2.gz KNMFXORNZYJTLK-PBHICJAKSA-N 2 1 274.408 2.027 20 0 CEADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000576271823 314258433 /nfs/dbraw/zinc/25/84/33/314258433.db2.gz KNMFXORNZYJTLK-PBHICJAKSA-N 2 1 274.408 2.027 20 0 CEADMP COCC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCC[C@@H]1C ZINC000576594171 314292292 /nfs/dbraw/zinc/29/22/92/314292292.db2.gz MEBZEOJUKAGRPM-GOEBONIOSA-N 2 1 279.428 2.490 20 0 CEADMP COCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCC[C@@H]1C ZINC000576594171 314292295 /nfs/dbraw/zinc/29/22/95/314292295.db2.gz MEBZEOJUKAGRPM-GOEBONIOSA-N 2 1 279.428 2.490 20 0 CEADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000576685089 314300611 /nfs/dbraw/zinc/30/06/11/314300611.db2.gz UXNOYDQCLUEKKS-XLNGHYISSA-N 3 1 273.424 2.197 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1CO ZINC000576814689 314312908 /nfs/dbraw/zinc/31/29/08/314312908.db2.gz NQXPEWFKOCHOEO-KBXCAEBGSA-N 2 1 284.403 2.227 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000576924269 314323437 /nfs/dbraw/zinc/32/34/37/314323437.db2.gz NNCYMBNHABJOTP-STQMWFEESA-N 2 1 275.396 2.225 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OC ZINC000577228765 314354987 /nfs/dbraw/zinc/35/49/87/314354987.db2.gz LFGASKWHEYAZJH-GXTWGEPZSA-N 2 1 278.396 2.406 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OC ZINC000577228765 314354992 /nfs/dbraw/zinc/35/49/92/314354992.db2.gz LFGASKWHEYAZJH-GXTWGEPZSA-N 2 1 278.396 2.406 20 0 CEADMP C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000577295488 314362246 /nfs/dbraw/zinc/36/22/46/314362246.db2.gz WWECWPDGSDNCSN-YHUYYLMFSA-N 2 1 279.472 2.499 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000577295488 314362249 /nfs/dbraw/zinc/36/22/49/314362249.db2.gz WWECWPDGSDNCSN-YHUYYLMFSA-N 3 1 279.472 2.499 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000577295488 314362251 /nfs/dbraw/zinc/36/22/51/314362251.db2.gz WWECWPDGSDNCSN-YHUYYLMFSA-N 3 1 279.472 2.499 20 0 CEADMP OC[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000388826496 321887766 /nfs/dbraw/zinc/88/77/66/321887766.db2.gz WTDSFLHLCMXMMR-UONOGXRCSA-N 2 1 266.429 2.002 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000580910245 322354231 /nfs/dbraw/zinc/35/42/31/322354231.db2.gz IQJSWOQBWOMAEV-FZKCQIBNSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000580910245 322354233 /nfs/dbraw/zinc/35/42/33/322354233.db2.gz IQJSWOQBWOMAEV-FZKCQIBNSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000580910245 322354235 /nfs/dbraw/zinc/35/42/35/322354235.db2.gz IQJSWOQBWOMAEV-FZKCQIBNSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)C(C)C ZINC000581251342 322381360 /nfs/dbraw/zinc/38/13/60/322381360.db2.gz OFRCKMQZDKPNGN-NVXWUHKLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)C(C)C ZINC000581251342 322381361 /nfs/dbraw/zinc/38/13/61/322381361.db2.gz OFRCKMQZDKPNGN-NVXWUHKLSA-N 2 1 295.471 2.096 20 0 CEADMP C(C[NH+]1CCCC1)C[N@H+]1CCCC2(CCOCC2)C1 ZINC000363451377 518385707 /nfs/dbraw/zinc/38/57/07/518385707.db2.gz UMTGVAWJMQSSHI-UHFFFAOYSA-N 2 1 266.429 2.365 20 0 CEADMP CC(C)[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[NH+]1CCCCC1 ZINC000357392596 519808993 /nfs/dbraw/zinc/80/89/93/519808993.db2.gz NVTTVLBKKYAEJQ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000052208850 520399768 /nfs/dbraw/zinc/39/97/68/520399768.db2.gz GDJLDEHPESEDFJ-UHFFFAOYSA-N 2 1 297.487 2.299 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(CO)cc2)CC1 ZINC000163441513 521565382 /nfs/dbraw/zinc/56/53/82/521565382.db2.gz JEQMKWKYPFFADG-UHFFFAOYSA-N 2 1 262.397 2.095 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(CO)cc2)CC1 ZINC000163441513 521565389 /nfs/dbraw/zinc/56/53/89/521565389.db2.gz JEQMKWKYPFFADG-UHFFFAOYSA-N 2 1 262.397 2.095 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000366074296 521717721 /nfs/dbraw/zinc/71/77/21/521717721.db2.gz RFVIGROZBCKSEN-BZUAXINKSA-N 2 1 290.455 2.378 20 0 CEADMP CC[N@H+]1CCc2c(cccc2NC(=O)/C=C/C[NH+](C)C)C1 ZINC000370737487 521723635 /nfs/dbraw/zinc/72/36/35/521723635.db2.gz JYBHFMAYFKMEBG-RMKNXTFCSA-N 2 1 287.407 2.121 20 0 CEADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000366349002 521837177 /nfs/dbraw/zinc/83/71/77/521837177.db2.gz UDLBMSICECZKST-OFQRWUPVSA-N 2 1 295.471 2.273 20 0 CEADMP C[N@@H+](CCn1ccnc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367901283 523007032 /nfs/dbraw/zinc/00/70/32/523007032.db2.gz GLKDUTDNRGOGEK-UHFFFAOYSA-N 2 1 299.422 2.127 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000157229515 524557315 /nfs/dbraw/zinc/55/73/15/524557315.db2.gz OXQKDXFPYCVOAZ-NHYWBVRUSA-N 2 1 268.351 2.437 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000049553189 525595421 /nfs/dbraw/zinc/59/54/21/525595421.db2.gz LPSKIXBBDJOKLI-NWDGAFQWSA-N 2 1 264.369 2.406 20 0 CEADMP Cc1noc(C)c1CC[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000155996002 526498906 /nfs/dbraw/zinc/49/89/06/526498906.db2.gz VZAGYQQXLCDOQQ-PGUXBMHVSA-N 2 1 265.401 2.152 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccccc1 ZINC000411868992 527080940 /nfs/dbraw/zinc/08/09/40/527080940.db2.gz JMQHOJBBDHDINC-UHFFFAOYSA-N 2 1 289.423 2.479 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000365875092 527428012 /nfs/dbraw/zinc/42/80/12/527428012.db2.gz FRNMNEKGYJNYAK-AWEZNQCLSA-N 2 1 279.453 2.428 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OC(F)(F)O3)C1 ZINC000414315711 527744074 /nfs/dbraw/zinc/74/40/74/527744074.db2.gz SKGAXJWFJTUDPO-NSHDSACASA-N 2 1 298.333 2.440 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OC(F)(F)O3)C1 ZINC000414315711 527744082 /nfs/dbraw/zinc/74/40/82/527744082.db2.gz SKGAXJWFJTUDPO-NSHDSACASA-N 2 1 298.333 2.440 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2cncs2)C[C@H]1C ZINC000411302577 527754114 /nfs/dbraw/zinc/75/41/14/527754114.db2.gz GADMAYMOJLCNBL-CHWSQXEVSA-N 2 1 267.442 2.490 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cncs2)C[C@H]1C ZINC000411302577 527754120 /nfs/dbraw/zinc/75/41/20/527754120.db2.gz GADMAYMOJLCNBL-CHWSQXEVSA-N 2 1 267.442 2.490 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cncs2)C[C@H]1C ZINC000411302577 527754123 /nfs/dbraw/zinc/75/41/23/527754123.db2.gz GADMAYMOJLCNBL-CHWSQXEVSA-N 2 1 267.442 2.490 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cncs2)C[C@H]1C ZINC000411302577 527754126 /nfs/dbraw/zinc/75/41/26/527754126.db2.gz GADMAYMOJLCNBL-CHWSQXEVSA-N 2 1 267.442 2.490 20 0 CEADMP CC(C)OC(=O)CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000357675782 527779763 /nfs/dbraw/zinc/77/97/63/527779763.db2.gz QBNGRMFAZKXOHR-UHFFFAOYSA-N 2 1 270.417 2.133 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc(C)oc2C)[C@@H](C)C1 ZINC000357800606 527799616 /nfs/dbraw/zinc/79/96/16/527799616.db2.gz WSFKGCUOQCOXPJ-SMDDNHRTSA-N 2 1 265.401 2.154 20 0 CEADMP CC(C)CNC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116397054 528056882 /nfs/dbraw/zinc/05/68/82/528056882.db2.gz CAFCZJNMXMKDMC-UONOGXRCSA-N 2 1 285.476 2.103 20 0 CEADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCOCC[NH3+])C12CCCCC2 ZINC000357065962 528072856 /nfs/dbraw/zinc/07/28/56/528072856.db2.gz AWFSNRWUMGGVEO-CABCVRRESA-N 2 1 284.444 2.021 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cncn2C)CC1 ZINC000177072969 528339226 /nfs/dbraw/zinc/33/92/26/528339226.db2.gz CJQYFSBPNDRKJL-UHFFFAOYSA-N 2 1 278.444 2.364 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)CCC[NH3+] ZINC000417557757 528470910 /nfs/dbraw/zinc/47/09/10/528470910.db2.gz SJVRHSOUVQTBFL-GJZGRUSLSA-N 2 1 298.475 2.068 20 0 CEADMP CCCc1csc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)n1 ZINC000415007535 528670048 /nfs/dbraw/zinc/67/00/48/528670048.db2.gz UYMZLMUNNWUSER-JTQLQIEISA-N 2 1 289.395 2.430 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)nc2)[C@@H](C)C1 ZINC000678277909 538806966 /nfs/dbraw/zinc/80/69/66/538806966.db2.gz QRIGHFVRMSLVEL-HOCLYGCPSA-N 2 1 290.455 2.310 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)nc2)[C@@H](C)C1 ZINC000678277909 538806979 /nfs/dbraw/zinc/80/69/79/538806979.db2.gz QRIGHFVRMSLVEL-HOCLYGCPSA-N 2 1 290.455 2.310 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)nc2)[C@@H](C)C1 ZINC000678277909 538806982 /nfs/dbraw/zinc/80/69/82/538806982.db2.gz QRIGHFVRMSLVEL-HOCLYGCPSA-N 2 1 290.455 2.310 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)nc2)[C@@H](C)C1 ZINC000678277909 538806989 /nfs/dbraw/zinc/80/69/89/538806989.db2.gz QRIGHFVRMSLVEL-HOCLYGCPSA-N 2 1 290.455 2.310 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](C)C1 ZINC000483145138 538879794 /nfs/dbraw/zinc/87/97/94/538879794.db2.gz ODNOQZXLDFVVIG-NNXHMXCWSA-N 2 1 296.455 2.033 20 0 CEADMP Cc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000125357711 649896274 /nfs/dbraw/zinc/89/62/74/649896274.db2.gz YMFGUIRUNYETKV-UAGQMJEPSA-N 2 1 274.408 2.433 20 0 CEADMP CCC(CC)[N@@H+](C[C@H](O)CN1CCCC1)C1CC1 ZINC000729542683 574489569 /nfs/dbraw/zinc/48/95/69/574489569.db2.gz MXLFBIHFENYJNO-OAHLLOKOSA-N 2 1 254.418 2.096 20 0 CEADMP CCC(CC)[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729542683 574489570 /nfs/dbraw/zinc/48/95/70/574489570.db2.gz MXLFBIHFENYJNO-OAHLLOKOSA-N 2 1 254.418 2.096 20 0 CEADMP CCC(CC)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729542683 574489571 /nfs/dbraw/zinc/48/95/71/574489571.db2.gz MXLFBIHFENYJNO-OAHLLOKOSA-N 2 1 254.418 2.096 20 0 CEADMP C[N@H+](C[C@H](O)c1ccc(F)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000741249275 574524836 /nfs/dbraw/zinc/52/48/36/574524836.db2.gz FRPUCMNFBQLTAO-LRDDRELGSA-N 2 1 298.377 2.272 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000741249275 574524837 /nfs/dbraw/zinc/52/48/37/574524837.db2.gz FRPUCMNFBQLTAO-LRDDRELGSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@H](O)c1ccc(F)c(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000741249275 574524838 /nfs/dbraw/zinc/52/48/38/574524838.db2.gz FRPUCMNFBQLTAO-LRDDRELGSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@H](O)c1ccc(F)c(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000741249275 574524839 /nfs/dbraw/zinc/52/48/39/574524839.db2.gz FRPUCMNFBQLTAO-LRDDRELGSA-N 2 1 298.377 2.272 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCCC[NH+]1CCCC1 ZINC000741705730 574994658 /nfs/dbraw/zinc/99/46/58/574994658.db2.gz SZGDDSFFVYDIBQ-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000746116942 575148663 /nfs/dbraw/zinc/14/86/63/575148663.db2.gz XCMCIJXYCJNDTJ-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000746674912 575162749 /nfs/dbraw/zinc/16/27/49/575162749.db2.gz YNHDQUBOFKPHCL-CZUORRHYSA-N 2 1 280.387 2.051 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000746674912 575162750 /nfs/dbraw/zinc/16/27/50/575162750.db2.gz YNHDQUBOFKPHCL-CZUORRHYSA-N 2 1 280.387 2.051 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749948929 575241395 /nfs/dbraw/zinc/24/13/95/575241395.db2.gz CEAGHZINBKSONR-HZPDHXFCSA-N 2 1 293.455 2.009 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000971541184 614272107 /nfs/dbraw/zinc/27/21/07/614272107.db2.gz WCROUZIZXPYTBF-OAHLLOKOSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000972480295 614533346 /nfs/dbraw/zinc/53/33/46/614533346.db2.gz ZDJLYNZHUCBQDS-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH+](C)C(C)C)C2)C1 ZINC000972155909 614649574 /nfs/dbraw/zinc/64/95/74/614649574.db2.gz IFJPMUCKRVMQOA-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]([N@H+](C)C(C)C)C2)C1 ZINC000972155909 614649578 /nfs/dbraw/zinc/64/95/78/614649578.db2.gz IFJPMUCKRVMQOA-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@H]([N@@H+](C)C(C)C)C2)C1 ZINC000972155909 614649580 /nfs/dbraw/zinc/64/95/80/614649580.db2.gz IFJPMUCKRVMQOA-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000960642805 614853095 /nfs/dbraw/zinc/85/30/95/614853095.db2.gz QFAUVQOCMNVAPQ-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000963908822 614881770 /nfs/dbraw/zinc/88/17/70/614881770.db2.gz WLDUJGXBZIXPDK-QQFBHYJXSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000969653817 614970242 /nfs/dbraw/zinc/97/02/42/614970242.db2.gz MOXQRKVKFVOTJZ-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000951192916 614995136 /nfs/dbraw/zinc/99/51/36/614995136.db2.gz XZCGDZIBGUDLFM-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CC[C@@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000957779746 615442755 /nfs/dbraw/zinc/44/27/55/615442755.db2.gz WVPNXNUNPNISDI-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]([NH2+][C@H]1CCN(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309723738 625294835 /nfs/dbraw/zinc/29/48/35/625294835.db2.gz OUQNWXCDRARZNQ-JQHSSLGASA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H](N[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000309723738 625294839 /nfs/dbraw/zinc/29/48/39/625294839.db2.gz OUQNWXCDRARZNQ-JQHSSLGASA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000309723738 625294850 /nfs/dbraw/zinc/29/48/50/625294850.db2.gz OUQNWXCDRARZNQ-JQHSSLGASA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H](N[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309723738 625294855 /nfs/dbraw/zinc/29/48/55/625294855.db2.gz OUQNWXCDRARZNQ-JQHSSLGASA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H](N[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309723738 625294857 /nfs/dbraw/zinc/29/48/57/625294857.db2.gz OUQNWXCDRARZNQ-JQHSSLGASA-N 2 1 287.451 2.191 20 0 CEADMP COCCCC1(C[NH2+]C2CC[NH+](C)CC2)CCC1 ZINC000892454107 625499486 /nfs/dbraw/zinc/49/94/86/625499486.db2.gz LXILGTZADYHXPJ-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP CCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000310560385 625598604 /nfs/dbraw/zinc/59/86/04/625598604.db2.gz JPLVZVFOWDTELW-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP CCC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000310560385 625598612 /nfs/dbraw/zinc/59/86/12/625598612.db2.gz JPLVZVFOWDTELW-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCCS1 ZINC000926130515 623458875 /nfs/dbraw/zinc/45/88/75/623458875.db2.gz NWSJWVMSBXYHJK-WJLOJVBCSA-N 2 1 254.443 2.202 20 0 CEADMP CC[NH+](CC)CCCN1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000933252079 623557236 /nfs/dbraw/zinc/55/72/36/623557236.db2.gz PQELIRFDFYIXBW-MRXNPFEDSA-N 2 1 269.477 2.380 20 0 CEADMP CN(C[C@H]1CCC[NH2+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000234336987 623795310 /nfs/dbraw/zinc/79/53/10/623795310.db2.gz VHWHWFIGXMCRLP-QZTJIDSGSA-N 2 1 287.451 2.335 20 0 CEADMP C[N@H+]1C[C@@H]2CN(C[C@H]3CC3(Cl)Cl)C[C@]2(C)C1 ZINC000933748872 623991001 /nfs/dbraw/zinc/99/10/01/623991001.db2.gz VWPNFYRPEJXHHU-MXWKQRLJSA-N 2 1 263.212 2.064 20 0 CEADMP COCCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000891933130 624115074 /nfs/dbraw/zinc/11/50/74/624115074.db2.gz BTSULSGPAMJMRS-UHFFFAOYSA-N 2 1 296.411 2.078 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNc2cc(N)[nH+]cc2Cl)C1 ZINC000891968006 624205974 /nfs/dbraw/zinc/20/59/74/624205974.db2.gz SOIFAFJSPLCWLR-JTQLQIEISA-N 2 1 268.792 2.461 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(N3CCC[C@@H](C[NH+](C)C)C3)c12 ZINC000892172200 624376276 /nfs/dbraw/zinc/37/62/76/624376276.db2.gz KLVCZTGQPRJBED-LBPRGKRZSA-N 2 1 287.411 2.298 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(N3CCC[C@H](C[NH+](C)C)C3)c12 ZINC000892172199 624376559 /nfs/dbraw/zinc/37/65/59/624376559.db2.gz KLVCZTGQPRJBED-GFCCVEGCSA-N 2 1 287.411 2.298 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(NCC3CC[NH+](C)CC3)c12 ZINC000892257620 624464264 /nfs/dbraw/zinc/46/42/64/624464264.db2.gz KMGLVVMOBNFWFI-UHFFFAOYSA-N 2 1 273.384 2.226 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934438550 624493770 /nfs/dbraw/zinc/49/37/70/624493770.db2.gz MQOZMCNUWBLVIH-KZNAEPCWSA-N 2 1 288.435 2.006 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934438550 624493772 /nfs/dbraw/zinc/49/37/72/624493772.db2.gz MQOZMCNUWBLVIH-KZNAEPCWSA-N 2 1 288.435 2.006 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934438550 624493774 /nfs/dbraw/zinc/49/37/74/624493774.db2.gz MQOZMCNUWBLVIH-KZNAEPCWSA-N 2 1 288.435 2.006 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C(C)C)C1 ZINC001022958605 624794757 /nfs/dbraw/zinc/79/47/57/624794757.db2.gz QEXYUMJZPFXJIY-OWCLPIDISA-N 2 1 295.471 2.286 20 0 CEADMP CC[C@@H](C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)OC ZINC000926502274 624946945 /nfs/dbraw/zinc/94/69/45/624946945.db2.gz DXJXMMUEQAWVQZ-AKBNIOSXSA-N 2 1 298.471 2.279 20 0 CEADMP COc1ccnc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000926573543 625139161 /nfs/dbraw/zinc/13/91/61/625139161.db2.gz NJZQSRXTELHVAJ-KGLIPLIRSA-N 2 1 277.412 2.473 20 0 CEADMP C[C@]1(Br)C[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000892608991 627307429 /nfs/dbraw/zinc/30/74/29/627307429.db2.gz SZOWAGYHUSXCAV-XQHKEYJVSA-N 2 1 287.245 2.376 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2CCC(OC)CC2)C1 ZINC000892614805 627312419 /nfs/dbraw/zinc/31/24/19/627312419.db2.gz UYXXFNFANMOCBA-SLTAFYQDSA-N 2 1 254.418 2.123 20 0 CEADMP FC1(F)CC[C@@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000311056473 627359206 /nfs/dbraw/zinc/35/92/06/627359206.db2.gz YFGIKQIDWNUNRP-GFCCVEGCSA-N 2 1 258.356 2.497 20 0 CEADMP CN1Cc2ccccc2[C@@H]1C[NH2+]C1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000926803776 627394240 /nfs/dbraw/zinc/39/42/40/627394240.db2.gz FLIUDZRRDUWDKM-HZSIZEEPSA-N 2 1 285.435 2.103 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000936026168 627723307 /nfs/dbraw/zinc/72/33/07/627723307.db2.gz FLGQUVZIATULPW-CABCVRRESA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000936026168 627723309 /nfs/dbraw/zinc/72/33/09/627723309.db2.gz FLGQUVZIATULPW-CABCVRRESA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000936026168 627723312 /nfs/dbraw/zinc/72/33/12/627723312.db2.gz FLGQUVZIATULPW-CABCVRRESA-N 2 1 283.460 2.096 20 0 CEADMP CC[C@@H]1COC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000924601490 627728547 /nfs/dbraw/zinc/72/85/47/627728547.db2.gz GDPPVCHIRCJFBB-QAPCUYQASA-N 2 1 288.435 2.449 20 0 CEADMP CC[C@@H]1COC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000924601490 627728549 /nfs/dbraw/zinc/72/85/49/627728549.db2.gz GDPPVCHIRCJFBB-QAPCUYQASA-N 2 1 288.435 2.449 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1C ZINC000892763929 627756657 /nfs/dbraw/zinc/75/66/57/627756657.db2.gz QVCDBHZHGIOJHU-CYBMUJFWSA-N 2 1 278.396 2.211 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](CCO)c2ccco2)C1 ZINC000902373307 634604655 /nfs/dbraw/zinc/60/46/55/634604655.db2.gz CEWWIDBQTIDSQM-QWHCGFSZSA-N 2 1 266.385 2.071 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1CC(F)(F)C1)C2 ZINC000852108262 627828697 /nfs/dbraw/zinc/82/86/97/627828697.db2.gz YPOIAPUYJCOLDP-ZDUSSCGKSA-N 2 1 258.356 2.449 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1CC(F)(F)C1)C2 ZINC000852108262 627828701 /nfs/dbraw/zinc/82/87/01/627828701.db2.gz YPOIAPUYJCOLDP-ZDUSSCGKSA-N 2 1 258.356 2.449 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1CC(F)(F)C1)C2 ZINC000852108262 627828706 /nfs/dbraw/zinc/82/87/06/627828706.db2.gz YPOIAPUYJCOLDP-ZDUSSCGKSA-N 2 1 258.356 2.449 20 0 CEADMP CC(C)(C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C[NH+]1CCCC1 ZINC000902377176 634607256 /nfs/dbraw/zinc/60/72/56/634607256.db2.gz RXMBSFMVBCKJOA-HNNXBMFYSA-N 3 1 281.488 2.476 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC000892946661 627878819 /nfs/dbraw/zinc/87/88/19/627878819.db2.gz JPLHJSZUPCFIIW-LLVKDONJSA-N 2 1 268.788 2.477 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC000892946661 627878821 /nfs/dbraw/zinc/87/88/21/627878821.db2.gz JPLHJSZUPCFIIW-LLVKDONJSA-N 2 1 268.788 2.477 20 0 CEADMP Cc1cc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)nc(N)[nH+]1 ZINC000309832747 627955635 /nfs/dbraw/zinc/95/56/35/627955635.db2.gz SRQQGUPDOZEKJS-CYBMUJFWSA-N 2 1 285.395 2.300 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](CO)c2ccc(F)cc2)C1 ZINC000902361896 634616556 /nfs/dbraw/zinc/61/65/56/634616556.db2.gz NSVYQXGCEVBYSX-HUUCEWRRSA-N 2 1 280.387 2.227 20 0 CEADMP Fc1ccc(F)c(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000925529363 628124097 /nfs/dbraw/zinc/12/40/97/628124097.db2.gz IQJVGEWOHXFHEQ-BOOVAVIHSA-N 2 1 278.346 2.093 20 0 CEADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903761674 635256793 /nfs/dbraw/zinc/25/67/93/635256793.db2.gz ZIIWBGGCDBZPIB-WDEREUQCSA-N 2 1 268.323 2.028 20 0 CEADMP CN(C[C@@H]([NH3+])CC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309901147 628227350 /nfs/dbraw/zinc/22/73/50/628227350.db2.gz IIANKZCTQJHMSA-GJZGRUSLSA-N 2 1 297.393 2.175 20 0 CEADMP COCCC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(F)cc1 ZINC000902404940 634639754 /nfs/dbraw/zinc/63/97/54/634639754.db2.gz HEEJAMWMZGLBJN-CQSZACIVSA-N 2 1 266.360 2.374 20 0 CEADMP COC1CCC(C[NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000893305906 628283147 /nfs/dbraw/zinc/28/31/47/628283147.db2.gz ZCVFCJXLLDWGAR-UHFFFAOYSA-N 2 1 252.402 2.043 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925607583 628287297 /nfs/dbraw/zinc/28/72/97/628287297.db2.gz WAIIRHMJDSLMNI-JKSUJKDBSA-N 2 1 289.423 2.348 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925611029 628292727 /nfs/dbraw/zinc/29/27/27/628292727.db2.gz JSGXXTHXNSKQKN-ZDUSSCGKSA-N 2 1 254.418 2.192 20 0 CEADMP Clc1ccccc1OCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925620600 628312561 /nfs/dbraw/zinc/31/25/61/628312561.db2.gz BZYNLKRDCQJZEX-SCYJSFNGSA-N 2 1 292.810 2.305 20 0 CEADMP Cc1ccc(C[C@@H](CO)[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925644697 628342663 /nfs/dbraw/zinc/34/26/63/628342663.db2.gz LDHVVKACLXUZMU-DLBZAZTESA-N 2 1 288.435 2.163 20 0 CEADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000931044655 628343977 /nfs/dbraw/zinc/34/39/77/628343977.db2.gz VIZJRKGDHWCBKE-NXHRZFHOSA-N 2 1 287.451 2.285 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC2(C)C)C1(C)C ZINC000902440819 634658103 /nfs/dbraw/zinc/65/81/03/634658103.db2.gz AMCINMRRUFJEQF-JHJVBQTASA-N 2 1 254.418 2.166 20 0 CEADMP Cc1cc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)ccn1 ZINC000925677975 628470918 /nfs/dbraw/zinc/47/09/18/628470918.db2.gz BCQLEGIZFIEEDP-ILXRZTDVSA-N 2 1 259.397 2.256 20 0 CEADMP C[C@@H]([NH3+])[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000925688610 628497901 /nfs/dbraw/zinc/49/79/01/628497901.db2.gz FHDBVAXLYNOOSD-NYFQHYJGSA-N 2 1 273.424 2.290 20 0 CEADMP OC[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccc(F)cc1 ZINC000925690465 628505618 /nfs/dbraw/zinc/50/56/18/628505618.db2.gz LRGZEWDFTWNLOC-HOCLYGCPSA-N 2 1 292.398 2.166 20 0 CEADMP OC[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccc(F)cc1 ZINC000925690462 628505625 /nfs/dbraw/zinc/50/56/25/628505625.db2.gz LRGZEWDFTWNLOC-GDBMZVCRSA-N 2 1 292.398 2.166 20 0 CEADMP CC(C)[C@H]([NH2+]CC1([NH3+])CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000902413085 634662408 /nfs/dbraw/zinc/66/24/08/634662408.db2.gz IBKVGJHKWTZLQL-ZDUSSCGKSA-N 2 1 275.352 2.311 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000925720006 628584745 /nfs/dbraw/zinc/58/47/45/628584745.db2.gz CMXLGVZJWZMOEO-IVZWLZJFSA-N 2 1 251.201 2.300 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CCC[NH2+][C@@H]3C)C2)cc1 ZINC000925723498 628607577 /nfs/dbraw/zinc/60/75/77/628607577.db2.gz WOIMZTCTJLENGN-NJAFHUGGSA-N 2 1 287.451 2.299 20 0 CEADMP C[C@H]([NH3+])[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000925724843 628627017 /nfs/dbraw/zinc/62/70/17/628627017.db2.gz DZAHCMOIWIMNOU-DARAHFNDSA-N 3 1 261.413 2.182 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCSCCC(F)(F)F ZINC000925733663 628690075 /nfs/dbraw/zinc/69/00/75/628690075.db2.gz KZONGYPLVVEMHR-VIFPVBQESA-N 2 1 270.364 2.402 20 0 CEADMP CO[C@H]1C[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000925734555 628692143 /nfs/dbraw/zinc/69/21/43/628692143.db2.gz AOSFUFWRBHXIPJ-QSPRXWTASA-N 2 1 274.408 2.494 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H]1c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000258192288 628696358 /nfs/dbraw/zinc/69/63/58/628696358.db2.gz YRUONIWBVIQOLS-NWDGAFQWSA-N 2 1 264.373 2.082 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000258192288 628696359 /nfs/dbraw/zinc/69/63/59/628696359.db2.gz YRUONIWBVIQOLS-NWDGAFQWSA-N 2 1 264.373 2.082 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(C)C ZINC000902466963 634684890 /nfs/dbraw/zinc/68/48/90/634684890.db2.gz JUCBUNCZMBHHOZ-RYMFRWLXSA-N 2 1 252.402 2.061 20 0 CEADMP C[C@@H]([NH2+]CCc1ccnn1-c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000925805928 628856943 /nfs/dbraw/zinc/85/69/43/628856943.db2.gz XARCKLCKFLEINT-RHSMWYFYSA-N 2 1 284.407 2.145 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(O)c(F)c1 ZINC000226329811 628903081 /nfs/dbraw/zinc/90/30/81/628903081.db2.gz SFYRPEXXWPJCNW-UHFFFAOYSA-N 2 1 254.349 2.351 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(O)c(F)c1 ZINC000226329811 628903083 /nfs/dbraw/zinc/90/30/83/628903083.db2.gz SFYRPEXXWPJCNW-UHFFFAOYSA-N 2 1 254.349 2.351 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000893700359 628938011 /nfs/dbraw/zinc/93/80/11/628938011.db2.gz LGFLWWUGNLXJBT-MRXNPFEDSA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925848086 628951962 /nfs/dbraw/zinc/95/19/62/628951962.db2.gz ZVTCGBDJQOLLBT-HOTGVXAUSA-N 2 1 281.488 2.476 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000925874198 628973631 /nfs/dbraw/zinc/97/36/31/628973631.db2.gz PEBUQOXDUVAEPU-NSHDSACASA-N 2 1 299.422 2.310 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000894087293 629118416 /nfs/dbraw/zinc/11/84/16/629118416.db2.gz XLRVROTXFRHDOQ-ZDUSSCGKSA-N 2 1 288.395 2.042 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000894087293 629118421 /nfs/dbraw/zinc/11/84/21/629118421.db2.gz XLRVROTXFRHDOQ-ZDUSSCGKSA-N 2 1 288.395 2.042 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000894087293 629118422 /nfs/dbraw/zinc/11/84/22/629118422.db2.gz XLRVROTXFRHDOQ-ZDUSSCGKSA-N 2 1 288.395 2.042 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000894087293 629118423 /nfs/dbraw/zinc/11/84/23/629118423.db2.gz XLRVROTXFRHDOQ-ZDUSSCGKSA-N 2 1 288.395 2.042 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000894124788 629151914 /nfs/dbraw/zinc/15/19/14/629151914.db2.gz OTLNAKAPDTWKHS-AWEZNQCLSA-N 2 1 254.418 2.075 20 0 CEADMP CC[N@H+]1CCC[C@@H](CNCc2cnc3onc(C)c3c2)C1 ZINC000894210821 629228783 /nfs/dbraw/zinc/22/87/83/629228783.db2.gz KAWFPGIXAUOPRL-ZDUSSCGKSA-N 2 1 288.395 2.353 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3onc(C)c3c2)C1 ZINC000894210821 629228787 /nfs/dbraw/zinc/22/87/87/629228787.db2.gz KAWFPGIXAUOPRL-ZDUSSCGKSA-N 2 1 288.395 2.353 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3onc(C)c3c2)C1 ZINC000894210821 629228789 /nfs/dbraw/zinc/22/87/89/629228789.db2.gz KAWFPGIXAUOPRL-ZDUSSCGKSA-N 2 1 288.395 2.353 20 0 CEADMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])CC1CCCCC1)C1CCCC1 ZINC000261800887 629246115 /nfs/dbraw/zinc/24/61/15/629246115.db2.gz YPVOUZOZVXPALE-INIZCTEOSA-N 2 1 295.471 2.275 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCOc3cccc(F)c3C2)CC1 ZINC000894267907 629285281 /nfs/dbraw/zinc/28/52/81/629285281.db2.gz FFVXCIYYSIERMA-UHFFFAOYSA-N 2 1 278.371 2.362 20 0 CEADMP C[C@@H]1COC[C@@H](C)C1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000924968805 629308726 /nfs/dbraw/zinc/30/87/26/629308726.db2.gz FIKKSXQQAVMCSJ-CHWSQXEVSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1COC[C@@H](C)C1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000924968805 629308730 /nfs/dbraw/zinc/30/87/30/629308730.db2.gz FIKKSXQQAVMCSJ-CHWSQXEVSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000902571755 634730470 /nfs/dbraw/zinc/73/04/70/634730470.db2.gz NRQCASDCVLYJTP-LBPRGKRZSA-N 2 1 266.433 2.368 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CCOC23CCCCC3)CCOCC1 ZINC000925062225 629423790 /nfs/dbraw/zinc/42/37/90/629423790.db2.gz NKSRXCJJIFICBK-OAHLLOKOSA-N 2 1 296.455 2.179 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CCOCC1 ZINC000925063896 629425911 /nfs/dbraw/zinc/42/59/11/629425911.db2.gz VWDBBBDVZDQFTG-RRFJBIMHSA-N 2 1 264.413 2.042 20 0 CEADMP CN(Cc1cn(C)nc1C1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894416842 629448373 /nfs/dbraw/zinc/44/83/73/629448373.db2.gz GKPOGUPYQBEYMR-XYPWUTKMSA-N 2 1 288.439 2.355 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000894450638 629468602 /nfs/dbraw/zinc/46/86/02/629468602.db2.gz YALARRRSRQOFAK-OKILXGFUSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H]1Cc2cc(C[N@H+](C)CCC[NH+](C)C)ccc2O1 ZINC000894450473 629468644 /nfs/dbraw/zinc/46/86/44/629468644.db2.gz VUAFVEISUOZPKY-CYBMUJFWSA-N 2 1 262.397 2.394 20 0 CEADMP C[C@@H]1Cc2cc(C[N@@H+](C)CCC[NH+](C)C)ccc2O1 ZINC000894450473 629468649 /nfs/dbraw/zinc/46/86/49/629468649.db2.gz VUAFVEISUOZPKY-CYBMUJFWSA-N 2 1 262.397 2.394 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3nccn3C3CC3)C2)CC1 ZINC000894480426 629485823 /nfs/dbraw/zinc/48/58/23/629485823.db2.gz ZWXDKRKVAMCESH-HNNXBMFYSA-N 2 1 288.439 2.382 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000894559040 629526657 /nfs/dbraw/zinc/52/66/57/629526657.db2.gz UXDUENNAXPYOLR-CQSZACIVSA-N 3 1 255.450 2.038 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000894559040 629526653 /nfs/dbraw/zinc/52/66/53/629526653.db2.gz UXDUENNAXPYOLR-CQSZACIVSA-N 3 1 255.450 2.038 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CC1 ZINC000894553473 629531132 /nfs/dbraw/zinc/53/11/32/629531132.db2.gz QPUCCBDLZZXRTP-CVEARBPZSA-N 2 1 278.440 2.362 20 0 CEADMP Cc1n[nH]c(C[N@H+](C)CCCn2cc[nH+]c2C)c1C ZINC000894777460 629633263 /nfs/dbraw/zinc/63/32/63/629633263.db2.gz PJBWDAZGHJCPLZ-UHFFFAOYSA-N 2 1 261.373 2.054 20 0 CEADMP Cc1n[nH]c(C[N@@H+](C)CCCn2cc[nH+]c2C)c1C ZINC000894777460 629633270 /nfs/dbraw/zinc/63/32/70/629633270.db2.gz PJBWDAZGHJCPLZ-UHFFFAOYSA-N 2 1 261.373 2.054 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000894777084 629633612 /nfs/dbraw/zinc/63/36/12/629633612.db2.gz LZVKFIWLJOXFFZ-UHFFFAOYSA-N 2 1 299.459 2.127 20 0 CEADMP Cc1ccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)o1 ZINC000796264622 629825247 /nfs/dbraw/zinc/82/52/47/629825247.db2.gz ZJSQLGPPWQLOAU-UHFFFAOYSA-N 2 1 279.409 2.438 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)n(C)n1 ZINC000793527252 629898283 /nfs/dbraw/zinc/89/82/83/629898283.db2.gz PJFSLUGSTDLBOD-CABCVRRESA-N 2 1 278.444 2.500 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)n(C)n1 ZINC000793527252 629898294 /nfs/dbraw/zinc/89/82/94/629898294.db2.gz PJFSLUGSTDLBOD-CABCVRRESA-N 2 1 278.444 2.500 20 0 CEADMP CN(C)c1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccn1 ZINC000796454750 629910026 /nfs/dbraw/zinc/91/00/26/629910026.db2.gz RDTBPRPIWSIITH-XYPWUTKMSA-N 2 1 288.439 2.205 20 0 CEADMP CN(C)c1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccn1 ZINC000796454750 629910029 /nfs/dbraw/zinc/91/00/29/629910029.db2.gz RDTBPRPIWSIITH-XYPWUTKMSA-N 2 1 288.439 2.205 20 0 CEADMP CN(C)c1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccn1 ZINC000796454750 629910035 /nfs/dbraw/zinc/91/00/35/629910035.db2.gz RDTBPRPIWSIITH-XYPWUTKMSA-N 2 1 288.439 2.205 20 0 CEADMP CN(C)c1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccn1 ZINC000796454750 629910039 /nfs/dbraw/zinc/91/00/39/629910039.db2.gz RDTBPRPIWSIITH-XYPWUTKMSA-N 2 1 288.439 2.205 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cn1 ZINC000895292076 630082769 /nfs/dbraw/zinc/08/27/69/630082769.db2.gz DLBGBCTWSHTKEZ-AWEZNQCLSA-N 2 1 278.444 2.356 20 0 CEADMP C[C@H](CC[NH2+]Cc1scnc1C1CC1)[NH+](C)C ZINC000895294526 630083278 /nfs/dbraw/zinc/08/32/78/630083278.db2.gz XFGAPBZSKLAMJG-SNVBAGLBSA-N 2 1 253.415 2.450 20 0 CEADMP C[C@@H](CCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000895296322 630088766 /nfs/dbraw/zinc/08/87/66/630088766.db2.gz GCEWIMMGQFPZAW-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000895296322 630088770 /nfs/dbraw/zinc/08/87/70/630088770.db2.gz GCEWIMMGQFPZAW-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP Cc1ccc2ncc(C[NH2+]CC[C@@H](C)[NH+](C)C)n2c1 ZINC000895297390 630089483 /nfs/dbraw/zinc/08/94/83/630089483.db2.gz VNPQHBQYWKHECR-CYBMUJFWSA-N 2 1 260.385 2.073 20 0 CEADMP CCc1cc(N2CC[C@@H](CC[NH+](C)C)C2)nc(C)[nH+]1 ZINC000895328614 630114071 /nfs/dbraw/zinc/11/40/71/630114071.db2.gz GSETVRBNBLVIKQ-CYBMUJFWSA-N 2 1 262.401 2.125 20 0 CEADMP COC(=O)c1ccc([C@H](C)[NH2+]CCC[NH+](C)C)c(C)c1 ZINC000902721403 634792980 /nfs/dbraw/zinc/79/29/80/634792980.db2.gz ZZIZYSSFGIRQFV-ZDUSSCGKSA-N 2 1 278.396 2.384 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)n1 ZINC000895557855 630248958 /nfs/dbraw/zinc/24/89/58/630248958.db2.gz RPIAKUVOJLSKHQ-AWEZNQCLSA-N 2 1 298.390 2.201 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902735242 634801732 /nfs/dbraw/zinc/80/17/32/634801732.db2.gz AGGSRYBXQFXRRZ-FOLNQXHWSA-N 2 1 266.429 2.120 20 0 CEADMP COc1cc2c(NC[C@@H]3CC[N@H+]3C)cc[nH+]c2cc1F ZINC000895771210 630339964 /nfs/dbraw/zinc/33/99/64/630339964.db2.gz VDNQASSYEYDXPU-JTQLQIEISA-N 2 1 275.327 2.499 20 0 CEADMP c1cc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000895776228 630341133 /nfs/dbraw/zinc/34/11/33/630341133.db2.gz AKDYPTKSRBRMRU-BETUJISGSA-N 2 1 286.404 2.062 20 0 CEADMP c1cc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000895776228 630341137 /nfs/dbraw/zinc/34/11/37/630341137.db2.gz AKDYPTKSRBRMRU-BETUJISGSA-N 2 1 286.404 2.062 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@@]3(C)Br)CC[C@H]21 ZINC000895843214 630366479 /nfs/dbraw/zinc/36/64/79/630366479.db2.gz NXPFFDBCHVMGPF-YVECIDJPSA-N 2 1 287.245 2.186 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@@]3(C)Br)CC[C@H]21 ZINC000895843214 630366482 /nfs/dbraw/zinc/36/64/82/630366482.db2.gz NXPFFDBCHVMGPF-YVECIDJPSA-N 2 1 287.245 2.186 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3C[C@@]3(C)Br)CC[C@H]21 ZINC000895843214 630366483 /nfs/dbraw/zinc/36/64/83/630366483.db2.gz NXPFFDBCHVMGPF-YVECIDJPSA-N 2 1 287.245 2.186 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3C[C@@]3(C)Br)CC[C@H]21 ZINC000895843214 630366485 /nfs/dbraw/zinc/36/64/85/630366485.db2.gz NXPFFDBCHVMGPF-YVECIDJPSA-N 2 1 287.245 2.186 20 0 CEADMP COC1CCC(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CC1 ZINC000895843233 630366957 /nfs/dbraw/zinc/36/69/57/630366957.db2.gz OGAUMJKCPZBCQY-GRAKBVBRSA-N 2 1 266.429 2.218 20 0 CEADMP COC1CCC(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CC1 ZINC000895843233 630366960 /nfs/dbraw/zinc/36/69/60/630366960.db2.gz OGAUMJKCPZBCQY-GRAKBVBRSA-N 2 1 266.429 2.218 20 0 CEADMP COC1CCC(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000895843233 630366965 /nfs/dbraw/zinc/36/69/65/630366965.db2.gz OGAUMJKCPZBCQY-GRAKBVBRSA-N 2 1 266.429 2.218 20 0 CEADMP COC1CCC(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000895843233 630366971 /nfs/dbraw/zinc/36/69/71/630366971.db2.gz OGAUMJKCPZBCQY-GRAKBVBRSA-N 2 1 266.429 2.218 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000896694076 630640722 /nfs/dbraw/zinc/64/07/22/630640722.db2.gz SGQKXYSFBJLMCH-CABCVRRESA-N 2 1 295.471 2.192 20 0 CEADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000896694076 630640724 /nfs/dbraw/zinc/64/07/24/630640724.db2.gz SGQKXYSFBJLMCH-CABCVRRESA-N 2 1 295.471 2.192 20 0 CEADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000896694076 630640726 /nfs/dbraw/zinc/64/07/26/630640726.db2.gz SGQKXYSFBJLMCH-CABCVRRESA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000896747012 630657787 /nfs/dbraw/zinc/65/77/87/630657787.db2.gz YDBJZHYFICDHDU-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000904317374 635564605 /nfs/dbraw/zinc/56/46/05/635564605.db2.gz VJIZDPLZPAQUPD-ZIAGYGMSSA-N 2 1 284.444 2.225 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000904317374 635564609 /nfs/dbraw/zinc/56/46/09/635564609.db2.gz VJIZDPLZPAQUPD-ZIAGYGMSSA-N 2 1 284.444 2.225 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@]3(C)CCC[NH2+]C3)C2)CC1 ZINC000904341499 635579130 /nfs/dbraw/zinc/57/91/30/635579130.db2.gz SSLFVKBMTNVLJC-INIZCTEOSA-N 3 1 279.472 2.184 20 0 CEADMP CC(C)OC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000800239030 631100992 /nfs/dbraw/zinc/10/09/92/631100992.db2.gz COIAYFXPFWQEDJ-GDBMZVCRSA-N 2 1 284.444 2.033 20 0 CEADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000262577805 631159109 /nfs/dbraw/zinc/15/91/09/631159109.db2.gz YMTOMSYFLOIHEX-ZDUSSCGKSA-N 2 1 299.378 2.046 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)[C@@H](C)C1 ZINC000897536945 631688339 /nfs/dbraw/zinc/68/83/39/631688339.db2.gz YXBYLCSFWRXSIP-JONQDZQNSA-N 2 1 268.445 2.248 20 0 CEADMP C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897909509 631974024 /nfs/dbraw/zinc/97/40/24/631974024.db2.gz VLRSENLLWLPLTQ-ZDUSSCGKSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000808733522 632009795 /nfs/dbraw/zinc/00/97/95/632009795.db2.gz UAEPFFBJANKKFM-HNNXBMFYSA-N 2 1 266.429 2.265 20 0 CEADMP CC(C)C(=O)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000808733522 632009800 /nfs/dbraw/zinc/00/98/00/632009800.db2.gz UAEPFFBJANKKFM-HNNXBMFYSA-N 2 1 266.429 2.265 20 0 CEADMP CC(C)C(=O)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000808733522 632009803 /nfs/dbraw/zinc/00/98/03/632009803.db2.gz UAEPFFBJANKKFM-HNNXBMFYSA-N 2 1 266.429 2.265 20 0 CEADMP CC(C)C(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000808733522 632009809 /nfs/dbraw/zinc/00/98/09/632009809.db2.gz UAEPFFBJANKKFM-HNNXBMFYSA-N 2 1 266.429 2.265 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc([C@@H](C)O)s2)C1 ZINC000809610390 632110215 /nfs/dbraw/zinc/11/02/15/632110215.db2.gz ZBPDMGRZFXNUKE-VXGBXAGGSA-N 2 1 283.441 2.018 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc([C@@H](C)O)s2)C1 ZINC000809610390 632110219 /nfs/dbraw/zinc/11/02/19/632110219.db2.gz ZBPDMGRZFXNUKE-VXGBXAGGSA-N 2 1 283.441 2.018 20 0 CEADMP CON1CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000323054762 632272740 /nfs/dbraw/zinc/27/27/40/632272740.db2.gz ISUWWOQOXOHJAX-HOCLYGCPSA-N 2 1 283.460 2.112 20 0 CEADMP C(C[N@H+]1CC[C@@H]2CSC[C@H]2C1)C1CC[NH2+]CC1 ZINC000866703711 632341604 /nfs/dbraw/zinc/34/16/04/632341604.db2.gz KOCONRIQSZDLIB-ZIAGYGMSSA-N 2 1 254.443 2.061 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CCC12CCCC2)C[NH+](C)C ZINC000926962652 632390659 /nfs/dbraw/zinc/39/06/59/632390659.db2.gz RKZPSBORKHQHAZ-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)C[NH+](C)C ZINC000926964474 632392797 /nfs/dbraw/zinc/39/27/97/632392797.db2.gz XFNKBZDRKZFKIV-TUVASFSCSA-N 2 1 254.418 2.121 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(OC)c(F)c1)CN(C)C ZINC000926966938 632397463 /nfs/dbraw/zinc/39/74/63/632397463.db2.gz YXSMEYHBHIDPKO-JSGCOSHPSA-N 2 1 298.402 2.452 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814642867 632873464 /nfs/dbraw/zinc/87/34/64/632873464.db2.gz UGVBEJSGEUWNCC-ZWKOTPCHSA-N 2 1 288.435 2.323 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CCC23CC[NH+](C)CC3)cc1 ZINC000899909391 633083654 /nfs/dbraw/zinc/08/36/54/633083654.db2.gz BAYUFQYAGZAHNA-MRXNPFEDSA-N 2 1 274.408 2.199 20 0 CEADMP CCC1(CC)CCN(C[N@@H+](C)CC2CC[NH+](C)CC2)C1=O ZINC000817360967 633639325 /nfs/dbraw/zinc/63/93/25/633639325.db2.gz XLZLPFDIDFYFHI-UHFFFAOYSA-N 2 1 295.471 2.256 20 0 CEADMP CC[C@H]([NH2+]CCSC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000817888930 633751830 /nfs/dbraw/zinc/75/18/30/633751830.db2.gz LTVSFLDACQZBQB-IUCAKERBSA-N 2 1 256.337 2.360 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000817895661 633758592 /nfs/dbraw/zinc/75/85/92/633758592.db2.gz WRQCEJVKWUKBGK-AGIUHOORSA-N 2 1 289.206 2.496 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nc2cc(F)ccc2n1C ZINC000817903782 633763607 /nfs/dbraw/zinc/76/36/07/633763607.db2.gz JZUDNDDOIURCGU-WCQYABFASA-N 2 1 290.386 2.190 20 0 CEADMP Cc1cccc(OCCC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000817906857 633766631 /nfs/dbraw/zinc/76/66/31/633766631.db2.gz FJDUKIPLTPTFHY-HOCLYGCPSA-N 2 1 262.397 2.494 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)c1cccc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000817910013 633768686 /nfs/dbraw/zinc/76/86/86/633768686.db2.gz HHARSJZWERJLGH-PMPSAXMXSA-N 2 1 262.397 2.149 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccco2)c2ccccc21 ZINC000817913861 633772152 /nfs/dbraw/zinc/77/21/52/633772152.db2.gz NRWPLUKVROVHGY-HZSPNIEDSA-N 2 1 258.321 2.047 20 0 CEADMP C[C@@H]1CCC[N@H+]1CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817914208 633773035 /nfs/dbraw/zinc/77/30/35/633773035.db2.gz UZQJXGWXHMJLRY-UHOFOFEASA-N 2 1 259.397 2.205 20 0 CEADMP CC[C@@H]([NH2+]C[C@]1(O)CCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000817914140 633773162 /nfs/dbraw/zinc/77/31/62/633773162.db2.gz RLMORVPIJGSRTD-FGTMMUONSA-N 2 1 288.435 2.331 20 0 CEADMP Cc1ncc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)s1 ZINC000817916091 633775160 /nfs/dbraw/zinc/77/51/60/633775160.db2.gz UQFLLQRERMYKFU-VIFPVBQESA-N 2 1 262.382 2.152 20 0 CEADMP C[C@]1(CN[C@H]2CCC[C@@H]2[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000817927575 633782493 /nfs/dbraw/zinc/78/24/93/633782493.db2.gz HZMCQNOXWBOGRC-OKZBNKHCSA-N 2 1 287.451 2.368 20 0 CEADMP Fc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817926809 633782505 /nfs/dbraw/zinc/78/25/05/633782505.db2.gz AIBNMOMQRIUTGE-BFHYXJOUSA-N 2 1 263.360 2.231 20 0 CEADMP Cc1cc(C)cc([C@@H](O)C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000817933196 633787105 /nfs/dbraw/zinc/78/71/05/633787105.db2.gz ZWRVRPVONHFNTK-DYVFJYSZSA-N 2 1 285.391 2.495 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000817960083 633802859 /nfs/dbraw/zinc/80/28/59/633802859.db2.gz WXOLKHGXLUBXMI-IUODEOHRSA-N 2 1 291.395 2.277 20 0 CEADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000900688232 633808685 /nfs/dbraw/zinc/80/86/85/633808685.db2.gz FEUNOFGBQQNHJV-AWEZNQCLSA-N 2 1 283.460 2.097 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000817979066 633821652 /nfs/dbraw/zinc/82/16/52/633821652.db2.gz HVAWMDSBTHHECS-YPMHNXCESA-N 2 1 277.368 2.031 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+]2C(C)(C)C)C[C@H]1C ZINC000900797887 633855006 /nfs/dbraw/zinc/85/50/06/633855006.db2.gz BPGUIJACVBKXIA-QLFBSQMISA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C[C@H]1C ZINC000900797887 633855007 /nfs/dbraw/zinc/85/50/07/633855007.db2.gz BPGUIJACVBKXIA-QLFBSQMISA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C[C@H]1C ZINC000900797887 633855010 /nfs/dbraw/zinc/85/50/10/633855010.db2.gz BPGUIJACVBKXIA-QLFBSQMISA-N 2 1 295.471 2.190 20 0 CEADMP C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C(C)(C)C[NH+](C)C ZINC000900832858 633862167 /nfs/dbraw/zinc/86/21/67/633862167.db2.gz PTFLCFMQAYQRAB-ZNMIVQPWSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[C@@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000819058943 634054655 /nfs/dbraw/zinc/05/46/55/634054655.db2.gz AFCZDGVEISPTTL-IAGOWNOFSA-N 2 1 298.471 2.017 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000819309106 634134934 /nfs/dbraw/zinc/13/49/34/634134934.db2.gz KXASILSQJCHNFI-JKSUJKDBSA-N 2 1 276.424 2.258 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000819309106 634134938 /nfs/dbraw/zinc/13/49/38/634134938.db2.gz KXASILSQJCHNFI-JKSUJKDBSA-N 2 1 276.424 2.258 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000819363142 634155172 /nfs/dbraw/zinc/15/51/72/634155172.db2.gz UOKNELZEKPFCOO-QGZVFWFLSA-N 2 1 276.424 2.492 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924785894 634849838 /nfs/dbraw/zinc/84/98/38/634849838.db2.gz AEIRBUWQXVZSJB-SQWLQELKSA-N 2 1 264.413 2.042 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCOC12CCCC2 ZINC000903067421 634953130 /nfs/dbraw/zinc/95/31/30/634953130.db2.gz PSLKSDDTBHWVIJ-AWEZNQCLSA-N 2 1 254.418 2.408 20 0 CEADMP CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000903075364 634958216 /nfs/dbraw/zinc/95/82/16/634958216.db2.gz UPDOSVZAHNXHCM-GJZGRUSLSA-N 2 1 286.379 2.233 20 0 CEADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000903207724 635015796 /nfs/dbraw/zinc/01/57/96/635015796.db2.gz ZQXCTCDOOWZVSE-ARFHVFGLSA-N 2 1 266.429 2.266 20 0 CEADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000903207728 635016249 /nfs/dbraw/zinc/01/62/49/635016249.db2.gz ZQXCTCDOOWZVSE-OWCLPIDISA-N 2 1 266.429 2.266 20 0 CEADMP CO[C@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903216407 635019732 /nfs/dbraw/zinc/01/97/32/635019732.db2.gz ACQFZRYPZYXOMO-RCOPVIMASA-N 2 1 264.413 2.159 20 0 CEADMP CC[NH+](CC)Cc1nc(-c2ccc(C[NH3+])cc2F)no1 ZINC000822901165 635023802 /nfs/dbraw/zinc/02/38/02/635023802.db2.gz OWYSQHGLVJSOEU-UHFFFAOYSA-N 2 1 278.331 2.176 20 0 CEADMP CC(C)O[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCOC1 ZINC000903357190 635084414 /nfs/dbraw/zinc/08/44/14/635084414.db2.gz KNWZFJSKTBZUEB-VQHPVUNQSA-N 2 1 296.455 2.033 20 0 CEADMP Fc1ccc(C[C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]3)C2)cc1 ZINC000903437792 635117825 /nfs/dbraw/zinc/11/78/25/635117825.db2.gz MBZSWSICECDPKU-GOEBONIOSA-N 2 1 262.372 2.442 20 0 CEADMP Fc1ccc(C[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]3)C2)cc1 ZINC000903437792 635117827 /nfs/dbraw/zinc/11/78/27/635117827.db2.gz MBZSWSICECDPKU-GOEBONIOSA-N 2 1 262.372 2.442 20 0 CEADMP CCO[C@H]1C[C@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000903439970 635118628 /nfs/dbraw/zinc/11/86/28/635118628.db2.gz RVWBEBJXPJPSQL-RFGFWPKPSA-N 2 1 254.418 2.249 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000903461478 635127374 /nfs/dbraw/zinc/12/73/74/635127374.db2.gz VBHRSAYYQYUTST-CWVYHPPDSA-N 2 1 266.429 2.251 20 0 CEADMP CC(C)(C)CC[NH+]1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903442703 635129266 /nfs/dbraw/zinc/12/92/66/635129266.db2.gz ZCIURUDUZNQJLW-CABCVRRESA-N 2 1 267.461 2.168 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000903442396 635129473 /nfs/dbraw/zinc/12/94/73/635129473.db2.gz OGAHKLQZQMSBCJ-CVEARBPZSA-N 2 1 273.424 2.054 20 0 CEADMP c1cc(CC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)sn1 ZINC000903453554 635137100 /nfs/dbraw/zinc/13/71/00/635137100.db2.gz BMITWEQNOKEEAK-CHWSQXEVSA-N 2 1 265.426 2.007 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C3CCCCC3)CC2)C1 ZINC000903455349 635137455 /nfs/dbraw/zinc/13/74/55/635137455.db2.gz VEQKNBFMSZVHQD-LSDHHAIUSA-N 2 1 265.445 2.064 20 0 CEADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457237 635140545 /nfs/dbraw/zinc/14/05/45/635140545.db2.gz OSWGVYOCPKKGNU-RDBSUJKOSA-N 2 1 262.401 2.291 20 0 CEADMP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)C[C@@H]21 ZINC000903476279 635144841 /nfs/dbraw/zinc/14/48/41/635144841.db2.gz SUKVUXIDBLGUGZ-POQQGIQPSA-N 2 1 270.367 2.352 20 0 CEADMP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)C[C@@H]21 ZINC000903476279 635144843 /nfs/dbraw/zinc/14/48/43/635144843.db2.gz SUKVUXIDBLGUGZ-POQQGIQPSA-N 2 1 270.367 2.352 20 0 CEADMP COc1ccc([C@H]2COCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903475683 635145295 /nfs/dbraw/zinc/14/52/95/635145295.db2.gz ACSIGFBMVBIDAG-UKPHBRMFSA-N 2 1 290.407 2.196 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000903481665 635148343 /nfs/dbraw/zinc/14/83/43/635148343.db2.gz JCFMMUUNYVSHFT-HYVNUMGLSA-N 2 1 285.435 2.327 20 0 CEADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903565567 635164874 /nfs/dbraw/zinc/16/48/74/635164874.db2.gz MKAQSXBLXHYRHT-RDBSUJKOSA-N 2 1 254.418 2.393 20 0 CEADMP CC(C)c1nnc2n1CC[N@@H+](CCCCCC[NH3+])[C@H]2C ZINC000903576965 635169811 /nfs/dbraw/zinc/16/98/11/635169811.db2.gz AZBKZPMWSQPHJU-ZDUSSCGKSA-N 2 1 279.432 2.297 20 0 CEADMP CC(C)c1nnc2n1CC[N@H+](CCCCCC[NH3+])[C@H]2C ZINC000903576965 635169814 /nfs/dbraw/zinc/16/98/14/635169814.db2.gz AZBKZPMWSQPHJU-ZDUSSCGKSA-N 2 1 279.432 2.297 20 0 CEADMP CC1CCC([N@@H+](C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903718364 635233842 /nfs/dbraw/zinc/23/38/42/635233842.db2.gz LEWFYGBZCOXXPK-SSHXOBKSSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903722165 635234927 /nfs/dbraw/zinc/23/49/27/635234927.db2.gz IBRJXLONIQOJSZ-DOTOQJQBSA-N 2 1 276.424 2.259 20 0 CEADMP CC[N@@H+](CCc1cccs1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722714 635235777 /nfs/dbraw/zinc/23/57/77/635235777.db2.gz NZSYZQGYDJCNGF-ZBFHGGJFSA-N 2 1 294.464 2.381 20 0 CEADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H]1C1CCCC1 ZINC000903722516 635236211 /nfs/dbraw/zinc/23/62/11/635236211.db2.gz LYOAQEHFKMDCNP-IXDOHACOSA-N 2 1 278.440 2.410 20 0 CEADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H]1C1CCCC1 ZINC000903722518 635236467 /nfs/dbraw/zinc/23/64/67/635236467.db2.gz LYOAQEHFKMDCNP-YESZJQIVSA-N 2 1 278.440 2.410 20 0 CEADMP CC[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903723685 635237438 /nfs/dbraw/zinc/23/74/38/635237438.db2.gz XZSRMJTUYNWOAM-GJZGRUSLSA-N 2 1 266.429 2.267 20 0 CEADMP CC1(C)CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903727171 635239653 /nfs/dbraw/zinc/23/96/53/635239653.db2.gz RROBLCWFOXZOBK-CYBMUJFWSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903728454 635240604 /nfs/dbraw/zinc/24/06/04/635240604.db2.gz BVOBTJYSKLEHNR-KYJSFNMBSA-N 2 1 286.419 2.374 20 0 CEADMP C[C@H]([N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2)C1(C)CC1 ZINC000903734233 635250516 /nfs/dbraw/zinc/25/05/16/635250516.db2.gz WHFILPJFLDRFRS-UONOGXRCSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCC1 ZINC000903734157 635250743 /nfs/dbraw/zinc/25/07/43/635250743.db2.gz PFHNGDPZVPYUOD-GJZGRUSLSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH2+]CCC[N@H+](C)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903761674 635256777 /nfs/dbraw/zinc/25/67/77/635256777.db2.gz ZIIWBGGCDBZPIB-WDEREUQCSA-N 2 1 268.323 2.028 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000903762838 635257237 /nfs/dbraw/zinc/25/72/37/635257237.db2.gz FBVSNQCJFWOWKZ-XHSDSOJGSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@H]1CCC[N@@H+](CCOC2CCSCC2)[C@@H]1CC[NH3+] ZINC000903762863 635257396 /nfs/dbraw/zinc/25/73/96/635257396.db2.gz FTOIJQRAHPDQKY-DZGCQCFKSA-N 2 1 286.485 2.348 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCOC2CCSCC2)[C@@H]1C ZINC000903781786 635266953 /nfs/dbraw/zinc/26/69/53/635266953.db2.gz AJJDASKPVPZLKA-MCIONIFRSA-N 2 1 286.485 2.346 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCOC2CCSCC2)[C@@H]1C ZINC000903781786 635266959 /nfs/dbraw/zinc/26/69/59/635266959.db2.gz AJJDASKPVPZLKA-MCIONIFRSA-N 2 1 286.485 2.346 20 0 CEADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903781975 635267327 /nfs/dbraw/zinc/26/73/27/635267327.db2.gz CIBWXFQSFRZVOA-ZIAGYGMSSA-N 2 1 266.429 2.408 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@H]3CC[C@]32C[NH3+])c1C ZINC000903800532 635277459 /nfs/dbraw/zinc/27/74/59/635277459.db2.gz WHXLHMLRHARCBO-YOEHRIQHSA-N 2 1 289.423 2.410 20 0 CEADMP CCn1cc(CC[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)cn1 ZINC000903811079 635285500 /nfs/dbraw/zinc/28/55/00/635285500.db2.gz JJMFVSDNABSHOD-INIZCTEOSA-N 2 1 290.455 2.429 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)n1 ZINC000903812613 635286924 /nfs/dbraw/zinc/28/69/24/635286924.db2.gz UTJREWHJWPHPFX-MRXNPFEDSA-N 2 1 290.455 2.483 20 0 CEADMP Fc1ccc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903813631 635287392 /nfs/dbraw/zinc/28/73/92/635287392.db2.gz HPNOXXBCGKRLAZ-UHFFFAOYSA-N 2 1 278.371 2.170 20 0 CEADMP Fc1ccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903813631 635287394 /nfs/dbraw/zinc/28/73/94/635287394.db2.gz HPNOXXBCGKRLAZ-UHFFFAOYSA-N 2 1 278.371 2.170 20 0 CEADMP c1csc(C[C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000903831441 635295855 /nfs/dbraw/zinc/29/58/55/635295855.db2.gz JUOQNTZJGRCZGQ-STQMWFEESA-N 2 1 265.426 2.007 20 0 CEADMP c1csc(C[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903831150 635296007 /nfs/dbraw/zinc/29/60/07/635296007.db2.gz FNOFLBINGGPDEQ-QWHCGFSZSA-N 2 1 265.426 2.007 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C2 ZINC000903839034 635298542 /nfs/dbraw/zinc/29/85/42/635298542.db2.gz HLCSCWXHRXKZGE-LIBKGXAOSA-N 2 1 298.789 2.324 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C2 ZINC000903839034 635298545 /nfs/dbraw/zinc/29/85/45/635298545.db2.gz HLCSCWXHRXKZGE-LIBKGXAOSA-N 2 1 298.789 2.324 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NC1CCCCCCC1)C2 ZINC000903849207 635302969 /nfs/dbraw/zinc/30/29/69/635302969.db2.gz ASXKBUURSYHEMV-DZKIICNBSA-N 2 1 293.455 2.027 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NC1CCCCCCC1)C2 ZINC000903849207 635302977 /nfs/dbraw/zinc/30/29/77/635302977.db2.gz ASXKBUURSYHEMV-DZKIICNBSA-N 2 1 293.455 2.027 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1cccc(F)c1)C2 ZINC000903847042 635303452 /nfs/dbraw/zinc/30/34/52/635303452.db2.gz SDQLMVLRHPQFIF-UBHSHLNASA-N 2 1 264.344 2.016 20 0 CEADMP c1c[nH]c([C@H]2CCCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000903888912 635316536 /nfs/dbraw/zinc/31/65/36/635316536.db2.gz MXZHWGDZXDIPMJ-JALIKCBVSA-N 2 1 274.412 2.467 20 0 CEADMP Cc1ccccc1C[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903873393 635321292 /nfs/dbraw/zinc/32/12/92/635321292.db2.gz PWZDNLZIGJRTLR-INIZCTEOSA-N 2 1 299.422 2.143 20 0 CEADMP Cc1ccccc1C[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903873393 635321300 /nfs/dbraw/zinc/32/13/00/635321300.db2.gz PWZDNLZIGJRTLR-INIZCTEOSA-N 2 1 299.422 2.143 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+](C)[C@H](C)C(C)(C)C)cnn1C ZINC000903882738 635325822 /nfs/dbraw/zinc/32/58/22/635325822.db2.gz AZMYCXBIRZNGLC-ZIAGYGMSSA-N 2 1 280.460 2.212 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@H](CC(C)C)C2)cnn1C ZINC000903893095 635329099 /nfs/dbraw/zinc/32/90/99/635329099.db2.gz QGWIUXNDHNGVIL-CVEARBPZSA-N 2 1 292.471 2.214 20 0 CEADMP Cc1noc(C)c1C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903887086 635329154 /nfs/dbraw/zinc/32/91/54/635329154.db2.gz YOGSXVDIMNIJRT-AGUYFDCRSA-N 2 1 263.385 2.254 20 0 CEADMP CCOC[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903893617 635330182 /nfs/dbraw/zinc/33/01/82/635330182.db2.gz XJQZDAXXKIYINC-HNSVSWJLSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000903897227 635332225 /nfs/dbraw/zinc/33/22/25/635332225.db2.gz GFMUMDUVTDFZKU-LSDHHAIUSA-N 2 1 297.393 2.175 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@H](C)C(C)(C)C2)cnn1C ZINC000903913915 635347451 /nfs/dbraw/zinc/34/74/51/635347451.db2.gz FOBRDHDEEINVLL-ZFWWWQNUSA-N 2 1 292.471 2.214 20 0 CEADMP CC[C@]1(CO)CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903913454 635347674 /nfs/dbraw/zinc/34/76/74/635347674.db2.gz CGPKSWOKRVYBPL-SFHVURJKSA-N 2 1 288.435 2.317 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCSC2(CCOCC2)C1 ZINC000903916606 635365113 /nfs/dbraw/zinc/36/51/13/635365113.db2.gz UIZWANDNWBWAHM-GOOCMWNKSA-N 2 1 296.480 2.115 20 0 CEADMP CC(C)(C)[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1O ZINC000903916588 635365275 /nfs/dbraw/zinc/36/52/75/635365275.db2.gz TYLBIYCMAXSKAK-AQBKWJQSSA-N 2 1 280.456 2.246 20 0 CEADMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)ccc1C ZINC000903957012 635365996 /nfs/dbraw/zinc/36/59/96/635365996.db2.gz OWNPYQWYNGJSKW-ZDUSSCGKSA-N 2 1 284.350 2.338 20 0 CEADMP CC(C)n1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000903959887 635369526 /nfs/dbraw/zinc/36/95/26/635369526.db2.gz RAPSVDRGGAVTKL-INIZCTEOSA-N 2 1 276.428 2.430 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000903959887 635369530 /nfs/dbraw/zinc/36/95/30/635369530.db2.gz RAPSVDRGGAVTKL-INIZCTEOSA-N 2 1 276.428 2.430 20 0 CEADMP Oc1cccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000903959621 635369858 /nfs/dbraw/zinc/36/98/58/635369858.db2.gz LBFLNRXCZCBQOC-MRXNPFEDSA-N 2 1 260.381 2.358 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2cccc(OCCOC)c2)CC1 ZINC000903946829 635379207 /nfs/dbraw/zinc/37/92/07/635379207.db2.gz CEPBGEUIAJVLNZ-UHFFFAOYSA-N 2 1 292.423 2.415 20 0 CEADMP C[N@H+](Cc1ccc(Br)o1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308013 635558581 /nfs/dbraw/zinc/55/85/81/635558581.db2.gz JBWHAFFPGUQZII-DTORHVGOSA-N 2 1 273.174 2.211 20 0 CEADMP CCOC(=O)CC[N@@H+](CC1CC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904313976 635561563 /nfs/dbraw/zinc/56/15/63/635561563.db2.gz PECQUINDTZCRKQ-MRXNPFEDSA-N 2 1 282.428 2.041 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3c(F)ccc(F)c3C2)C1 ZINC000904326085 635572186 /nfs/dbraw/zinc/57/21/86/635572186.db2.gz DLWBQZBWHZWILM-AOOOYVTPSA-N 2 1 252.308 2.060 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000904328277 635573891 /nfs/dbraw/zinc/57/38/91/635573891.db2.gz NBYMTOZYXFLGKN-HUUCEWRRSA-N 2 1 293.459 2.144 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000904328277 635573893 /nfs/dbraw/zinc/57/38/93/635573893.db2.gz NBYMTOZYXFLGKN-HUUCEWRRSA-N 2 1 293.459 2.144 20 0 CEADMP Cc1ccc(C[N@@H+](CCO)C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904330842 635575737 /nfs/dbraw/zinc/57/57/37/635575737.db2.gz CVQBZTKYCCMMCP-QGZVFWFLSA-N 2 1 276.424 2.179 20 0 CEADMP C[C@]1(C[N@@H+]2CCC[C@H](OC(F)F)C2)CCC[NH2+]C1 ZINC000904332516 635576172 /nfs/dbraw/zinc/57/61/72/635576172.db2.gz QOHBKIVGUDTKPE-AAEUAGOBSA-N 2 1 262.344 2.080 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@H](OC(F)F)C2)CCC[NH2+]C1 ZINC000904332516 635576175 /nfs/dbraw/zinc/57/61/75/635576175.db2.gz QOHBKIVGUDTKPE-AAEUAGOBSA-N 2 1 262.344 2.080 20 0 CEADMP C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904331181 635576457 /nfs/dbraw/zinc/57/64/57/635576457.db2.gz DQLYEFKFSZZFPE-ZNSHCXBVSA-N 2 1 250.308 2.387 20 0 CEADMP Cc1ccc(C[N@@H+](CCO)C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904330840 635576536 /nfs/dbraw/zinc/57/65/36/635576536.db2.gz CVQBZTKYCCMMCP-KRWDZBQOSA-N 2 1 276.424 2.179 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@@H](OCC3CC3)C2)CCC[NH2+]C1 ZINC000904340761 635578694 /nfs/dbraw/zinc/57/86/94/635578694.db2.gz CIHMEBWBXDKIOF-HZPDHXFCSA-N 2 1 266.429 2.267 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346190 635581509 /nfs/dbraw/zinc/58/15/09/635581509.db2.gz QEZHUJYFZXBTMO-UKMLZYKCSA-N 2 1 288.391 2.102 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1C ZINC000904350054 635584585 /nfs/dbraw/zinc/58/45/85/635584585.db2.gz GMXAAEYRBPJIBP-OAHLLOKOSA-N 2 1 290.407 2.485 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1C ZINC000904350053 635584636 /nfs/dbraw/zinc/58/46/36/635584636.db2.gz GMXAAEYRBPJIBP-HNNXBMFYSA-N 2 1 290.407 2.485 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1C ZINC000904355409 635587051 /nfs/dbraw/zinc/58/70/51/635587051.db2.gz NIZWRRSFITYBEU-JSGCOSHPSA-N 2 1 276.380 2.012 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1C ZINC000904358468 635590260 /nfs/dbraw/zinc/59/02/60/635590260.db2.gz MQGXSGMIYXRXFL-CQSZACIVSA-N 2 1 278.396 2.245 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1C ZINC000904388534 635597893 /nfs/dbraw/zinc/59/78/93/635597893.db2.gz JRIXTYPMWCIDRJ-UKRRQHHQSA-N 2 1 290.407 2.198 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]1CO ZINC000904380413 635604802 /nfs/dbraw/zinc/60/48/02/635604802.db2.gz LXTYAAVSTIUDOV-RDBSUJKOSA-N 2 1 256.434 2.090 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]1CO ZINC000904380413 635604799 /nfs/dbraw/zinc/60/47/99/635604799.db2.gz LXTYAAVSTIUDOV-RDBSUJKOSA-N 2 1 256.434 2.090 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(C(F)F)c(F)c1 ZINC000904381752 635605806 /nfs/dbraw/zinc/60/58/06/635605806.db2.gz TYBDQNPDEOKFIF-UHFFFAOYSA-N 2 1 276.302 2.170 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000904386399 635609658 /nfs/dbraw/zinc/60/96/58/635609658.db2.gz YORQKFMPMDHRDT-QGZVFWFLSA-N 3 1 273.424 2.111 20 0 CEADMP [NH3+]Cc1ccc(CN2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000904386399 635609663 /nfs/dbraw/zinc/60/96/63/635609663.db2.gz YORQKFMPMDHRDT-QGZVFWFLSA-N 2 1 273.424 2.111 20 0 CEADMP COc1cc2c(c(C[N@H+]3CC[C@@H](CC[NH3+])C3)c1)O[C@@H](C)C2 ZINC000904405187 635612488 /nfs/dbraw/zinc/61/24/88/635612488.db2.gz GTUKPICBKZZQMF-QWHCGFSZSA-N 2 1 290.407 2.189 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904406860 635614304 /nfs/dbraw/zinc/61/43/04/635614304.db2.gz JVILFAIQMVCBSA-CYBMUJFWSA-N 2 1 260.381 2.182 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1C ZINC000904409759 635615111 /nfs/dbraw/zinc/61/51/11/635615111.db2.gz HRYIALDGIMUROX-UKRRQHHQSA-N 2 1 290.407 2.198 20 0 CEADMP CCc1cnc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)s1 ZINC000904411422 635619428 /nfs/dbraw/zinc/61/94/28/635619428.db2.gz MKWAOIJWZGRVCE-QWRGUYRKSA-N 2 1 253.415 2.122 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CC[C@H](C[NH3+])[C@H](C)C3)n21 ZINC000904411661 635619479 /nfs/dbraw/zinc/61/94/79/635619479.db2.gz OZMAJMLNZHOGCS-TZMCWYRMSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1csc(C[C@@H]2CC[N@@H+](CC(C)(C)[NH3+])C2)n1 ZINC000904433993 635628597 /nfs/dbraw/zinc/62/85/97/635628597.db2.gz RXCOOBTYDKPTOM-NSHDSACASA-N 2 1 253.415 2.053 20 0 CEADMP Cc1csc(C[C@@H]2CC[N@H+](CC(C)(C)[NH3+])C2)n1 ZINC000904433993 635628594 /nfs/dbraw/zinc/62/85/94/635628594.db2.gz RXCOOBTYDKPTOM-NSHDSACASA-N 2 1 253.415 2.053 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)cc1O ZINC000904462749 635635094 /nfs/dbraw/zinc/63/50/94/635635094.db2.gz RVQJWQUUDAMAFG-LRDDRELGSA-N 2 1 292.423 2.310 20 0 CEADMP C[N@H+]1CCN(C(=O)Nc2ccccc2C[NH3+])CCC1(C)C ZINC000904623826 635681443 /nfs/dbraw/zinc/68/14/43/635681443.db2.gz DWRADLQKDVKVNB-UHFFFAOYSA-N 2 1 290.411 2.093 20 0 CEADMP C[NH+](C)CCCCC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826718728 635828019 /nfs/dbraw/zinc/82/80/19/635828019.db2.gz ZYZQHZLKGOXBPR-INIZCTEOSA-N 2 1 289.423 2.021 20 0 CEADMP C[NH+](C)CCCCC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826718728 635828024 /nfs/dbraw/zinc/82/80/24/635828024.db2.gz ZYZQHZLKGOXBPR-INIZCTEOSA-N 2 1 289.423 2.021 20 0 CEADMP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000828111020 636510644 /nfs/dbraw/zinc/51/06/44/636510644.db2.gz DHJCFDHSHCMNIA-HNNXBMFYSA-N 2 1 295.471 2.192 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnc(-c3ccccc3)s2)C1 ZINC000906508660 636759045 /nfs/dbraw/zinc/75/90/45/636759045.db2.gz TUAJPHOPDNYKNY-HAQNSBGRSA-N 2 1 259.378 2.389 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000906517096 636763908 /nfs/dbraw/zinc/76/39/08/636763908.db2.gz FCIJOGDELIAXQJ-LJGSYFOKSA-N 2 1 250.289 2.346 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906545521 636782375 /nfs/dbraw/zinc/78/23/75/636782375.db2.gz LOCXSAONLCIYBE-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000906969504 636904411 /nfs/dbraw/zinc/90/44/11/636904411.db2.gz KIIARBOYGRIOCE-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[NH+](C)C[C@@H]2CC)C1 ZINC000907923741 637168549 /nfs/dbraw/zinc/16/85/49/637168549.db2.gz CKBBTRYZURBSJN-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@H+](C)C[C@@H]2CC)C1 ZINC000907923741 637168552 /nfs/dbraw/zinc/16/85/52/637168552.db2.gz CKBBTRYZURBSJN-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@@H+](C)C[C@@H]2CC)C1 ZINC000907923741 637168556 /nfs/dbraw/zinc/16/85/56/637168556.db2.gz CKBBTRYZURBSJN-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908503173 637387206 /nfs/dbraw/zinc/38/72/06/637387206.db2.gz ZSBPLSSJJUXSHM-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cn(-c2ccccc2)nn1)C1CC1 ZINC000835061598 638044958 /nfs/dbraw/zinc/04/49/58/638044958.db2.gz IFSGWPCGWRELGX-UHFFFAOYSA-N 2 1 299.422 2.231 20 0 CEADMP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000912648960 638753366 /nfs/dbraw/zinc/75/33/66/638753366.db2.gz MHQINOJISSZZLW-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)C[N@@H+](C)C1CCC1 ZINC000912649472 638754572 /nfs/dbraw/zinc/75/45/72/638754572.db2.gz VBPMYTIMKZKWMP-ZBFHGGJFSA-N 2 1 295.471 2.192 20 0 CEADMP Cc1cc([C@](C)(O)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)o1 ZINC000164081438 639344326 /nfs/dbraw/zinc/34/43/26/639344326.db2.gz YHCJUTZVAMAKPK-DIOULYMOSA-N 2 1 280.412 2.176 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000226816150 639565471 /nfs/dbraw/zinc/56/54/71/639565471.db2.gz JXCXTJGJXWFDKT-UKRRQHHQSA-N 2 1 259.397 2.389 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cccnc32)C1 ZINC000226816150 639565475 /nfs/dbraw/zinc/56/54/75/639565475.db2.gz JXCXTJGJXWFDKT-UKRRQHHQSA-N 2 1 259.397 2.389 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cc(F)ccc2F)CC[N@@H+]1C ZINC000226876538 639567797 /nfs/dbraw/zinc/56/77/97/639567797.db2.gz MUCDDVOODCJABN-IFUGULHKSA-N 2 1 284.350 2.071 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cc(F)ccc2F)CC[N@H+]1C ZINC000226876538 639567801 /nfs/dbraw/zinc/56/78/01/639567801.db2.gz MUCDDVOODCJABN-IFUGULHKSA-N 2 1 284.350 2.071 20 0 CEADMP COc1c(C)cc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1C ZINC000841029407 639621209 /nfs/dbraw/zinc/62/12/09/639621209.db2.gz OOBZHYPPDIHBTG-CQSZACIVSA-N 2 1 250.386 2.385 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cnc3ccccc3c2)CC[NH2+]1 ZINC000841062971 639638087 /nfs/dbraw/zinc/63/80/87/639638087.db2.gz ZYKYUUSFPBBXQO-SWLSCSKDSA-N 2 1 255.365 2.465 20 0 CEADMP Clc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000841089218 639653492 /nfs/dbraw/zinc/65/34/92/639653492.db2.gz JBCQXELKZUDEGQ-LBPRGKRZSA-N 2 1 265.788 2.499 20 0 CEADMP CC[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991860246 639681034 /nfs/dbraw/zinc/68/10/34/639681034.db2.gz KEPWDPALDXSFQW-NVXWUHKLSA-N 2 1 298.390 2.081 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000232121649 639899351 /nfs/dbraw/zinc/89/93/51/639899351.db2.gz XPIRBQITTMJVKU-QEJZJMRPSA-N 2 1 254.418 2.129 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000232148518 639902968 /nfs/dbraw/zinc/90/29/68/639902968.db2.gz YGPDNOBIWXYHGF-CABCVRRESA-N 2 1 254.418 2.131 20 0 CEADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CC1([NH3+])CC1 ZINC000877031069 650537909 /nfs/dbraw/zinc/53/79/09/650537909.db2.gz QICYXTZFQZAUMZ-GDBMZVCRSA-N 2 1 299.418 2.011 20 0 CEADMP CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000842471979 640071714 /nfs/dbraw/zinc/07/17/14/640071714.db2.gz KICDULZRFLJIKT-INIZCTEOSA-N 2 1 297.487 2.380 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000842474862 640073808 /nfs/dbraw/zinc/07/38/08/640073808.db2.gz ZQOILIDRSQQYAX-HOTGVXAUSA-N 3 1 267.461 2.360 20 0 CEADMP CCCCCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000842474025 640074231 /nfs/dbraw/zinc/07/42/31/640074231.db2.gz AUCPKLCCMCQVPW-HZPDHXFCSA-N 2 1 295.471 2.147 20 0 CEADMP CCCCCCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000842474025 640074233 /nfs/dbraw/zinc/07/42/33/640074233.db2.gz AUCPKLCCMCQVPW-HZPDHXFCSA-N 2 1 295.471 2.147 20 0 CEADMP C[NH+](C)C1(C[NH2+]C2CCC(F)(F)CC2)CCOCC1 ZINC000842680456 640148042 /nfs/dbraw/zinc/14/80/42/640148042.db2.gz IKXHMTKFZDBBCV-UHFFFAOYSA-N 2 1 276.371 2.265 20 0 CEADMP COC(=O)c1[nH]c(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC000877073756 650559693 /nfs/dbraw/zinc/55/96/93/650559693.db2.gz RVDKDLOZUJSZCJ-GXTWGEPZSA-N 2 1 293.411 2.072 20 0 CEADMP C[N@@H+](Cc1cccc2c1NCC2)C1CCC([NH3+])CC1 ZINC000843055529 640257458 /nfs/dbraw/zinc/25/74/58/640257458.db2.gz FUOGZAAKRLRFEZ-UHFFFAOYSA-N 2 1 259.397 2.356 20 0 CEADMP Cc1c(Cl)c(C[N@H+](C)C2CCC([NH3+])CC2)nn1C ZINC000843054839 640257607 /nfs/dbraw/zinc/25/76/07/640257607.db2.gz KASVXBLKFNVJGP-UHFFFAOYSA-N 2 1 270.808 2.084 20 0 CEADMP Cc1c(Cl)c(C[N@@H+](C)C2CCC([NH3+])CC2)nn1C ZINC000843054839 640257613 /nfs/dbraw/zinc/25/76/13/640257613.db2.gz KASVXBLKFNVJGP-UHFFFAOYSA-N 2 1 270.808 2.084 20 0 CEADMP Cn1c(Cl)cnc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843127968 640294345 /nfs/dbraw/zinc/29/43/45/640294345.db2.gz USSRLBFZMVGKOE-STQMWFEESA-N 2 1 296.846 2.285 20 0 CEADMP Cn1c(Cl)cnc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843127968 640294350 /nfs/dbraw/zinc/29/43/50/640294350.db2.gz USSRLBFZMVGKOE-STQMWFEESA-N 2 1 296.846 2.285 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843362834 640405469 /nfs/dbraw/zinc/40/54/69/640405469.db2.gz SAQBRDITTIYGBP-SOUVJXGZSA-N 2 1 283.460 2.131 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843362834 640405473 /nfs/dbraw/zinc/40/54/73/640405473.db2.gz SAQBRDITTIYGBP-SOUVJXGZSA-N 2 1 283.460 2.131 20 0 CEADMP NC[C@H]1c2ccccc2CC[N@H+]1CCCCCCC[NH3+] ZINC000843392513 640414632 /nfs/dbraw/zinc/41/46/32/640414632.db2.gz STCCAMMYRVUKEV-KRWDZBQOSA-N 2 1 275.440 2.454 20 0 CEADMP NC[C@H]1c2ccccc2CC[N@@H+]1CCCCCCC[NH3+] ZINC000843392513 640414638 /nfs/dbraw/zinc/41/46/38/640414638.db2.gz STCCAMMYRVUKEV-KRWDZBQOSA-N 2 1 275.440 2.454 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2)[C@H]2CCCC[C@H]12 ZINC000915225899 640531559 /nfs/dbraw/zinc/53/15/59/640531559.db2.gz FMRMQGSMGKAVRS-VQHPVUNQSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]2CCCC[C@H]12 ZINC000915225899 640531565 /nfs/dbraw/zinc/53/15/65/640531565.db2.gz FMRMQGSMGKAVRS-VQHPVUNQSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]2CCCC[C@H]12 ZINC000915225899 640531567 /nfs/dbraw/zinc/53/15/67/640531567.db2.gz FMRMQGSMGKAVRS-VQHPVUNQSA-N 2 1 280.456 2.344 20 0 CEADMP Cc1ccc([C@H](C)[N@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000915688948 640601849 /nfs/dbraw/zinc/60/18/49/640601849.db2.gz AFGCRINVOIACBN-DOTOQJQBSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000915688948 640601853 /nfs/dbraw/zinc/60/18/53/640601853.db2.gz AFGCRINVOIACBN-DOTOQJQBSA-N 2 1 276.424 2.445 20 0 CEADMP C[C@H](CNC(=O)c1cccc(C[NH3+])c1)[N@H+]1CCCC[C@H]1C ZINC000844171468 640623339 /nfs/dbraw/zinc/62/33/39/640623339.db2.gz JAADYJPOUQVREL-ZIAGYGMSSA-N 2 1 289.423 2.138 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCCCC[NH3+])C1 ZINC000844221899 640635646 /nfs/dbraw/zinc/63/56/46/640635646.db2.gz XYSHOMBNQKIBGY-OAHLLOKOSA-N 3 1 255.450 2.169 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000844221899 640635648 /nfs/dbraw/zinc/63/56/48/640635648.db2.gz XYSHOMBNQKIBGY-OAHLLOKOSA-N 3 1 255.450 2.169 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000844221899 640635651 /nfs/dbraw/zinc/63/56/51/640635651.db2.gz XYSHOMBNQKIBGY-OAHLLOKOSA-N 3 1 255.450 2.169 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925471916 641079413 /nfs/dbraw/zinc/07/94/13/641079413.db2.gz DNBQFWFYUCNVKP-SJORKVTESA-N 3 1 290.455 2.340 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000845997196 641147143 /nfs/dbraw/zinc/14/71/43/641147143.db2.gz WYPNNSRQFNBOKY-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@](C)(O)c1ccccc1 ZINC000846190206 641218141 /nfs/dbraw/zinc/21/81/41/641218141.db2.gz TYAAXAZBQDSYCG-MUIFIZLQSA-N 2 1 276.424 2.355 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@](C)(O)c1ccccc1 ZINC000846190206 641218150 /nfs/dbraw/zinc/21/81/50/641218150.db2.gz TYAAXAZBQDSYCG-MUIFIZLQSA-N 2 1 276.424 2.355 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CC(=O)Nc1cc(F)cc(F)c1 ZINC000846218355 641227226 /nfs/dbraw/zinc/22/72/26/641227226.db2.gz RREMMUAAPGLPOA-UHFFFAOYSA-N 2 1 299.365 2.354 20 0 CEADMP N[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@H]1c1ccccc1F ZINC000846222467 641230783 /nfs/dbraw/zinc/23/07/83/641230783.db2.gz CZQPJVMTJFLICX-GOEBONIOSA-N 2 1 279.403 2.071 20 0 CEADMP N[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@H]1c1ccccc1F ZINC000846222467 641230787 /nfs/dbraw/zinc/23/07/87/641230787.db2.gz CZQPJVMTJFLICX-GOEBONIOSA-N 2 1 279.403 2.071 20 0 CEADMP [NH3+]CCCCCCN1CC[NH+](CCc2ccccc2)CC1 ZINC000846221165 641230903 /nfs/dbraw/zinc/23/09/03/641230903.db2.gz HPAHCAUWIZVRBX-UHFFFAOYSA-N 2 1 289.467 2.366 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4nonc4c3)CC[C@H]21 ZINC000846818814 641438723 /nfs/dbraw/zinc/43/87/23/641438723.db2.gz SMKQJNAMDSDJCL-XJKSGUPXSA-N 2 1 286.379 2.139 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4nonc4c3)CC[C@H]21 ZINC000846818814 641438726 /nfs/dbraw/zinc/43/87/26/641438726.db2.gz SMKQJNAMDSDJCL-XJKSGUPXSA-N 2 1 286.379 2.139 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4nonc4c3)CC[C@H]21 ZINC000846818814 641438730 /nfs/dbraw/zinc/43/87/30/641438730.db2.gz SMKQJNAMDSDJCL-XJKSGUPXSA-N 2 1 286.379 2.139 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000070074687 641629910 /nfs/dbraw/zinc/62/99/10/641629910.db2.gz CNUWHGTVDWWXTE-GDBMZVCRSA-N 2 1 284.407 2.432 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000070074687 641629920 /nfs/dbraw/zinc/62/99/20/641629920.db2.gz CNUWHGTVDWWXTE-GDBMZVCRSA-N 2 1 284.407 2.432 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])oc1C ZINC000070149870 641637030 /nfs/dbraw/zinc/63/70/30/641637030.db2.gz FYKICJCMUFNFSX-LBPRGKRZSA-N 2 1 280.368 2.078 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])oc1C ZINC000070149870 641637034 /nfs/dbraw/zinc/63/70/34/641637034.db2.gz FYKICJCMUFNFSX-LBPRGKRZSA-N 2 1 280.368 2.078 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc[nH]1 ZINC000848536035 642040445 /nfs/dbraw/zinc/04/04/45/642040445.db2.gz JLTACNPTAUNUKA-HIFRSBDPSA-N 2 1 277.412 2.309 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC1(F)F ZINC000848552998 642049383 /nfs/dbraw/zinc/04/93/83/642049383.db2.gz HFGNLKXEWZVYDL-UBHSHLNASA-N 2 1 288.382 2.263 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CCCCCC[NH3+] ZINC000877437591 650721673 /nfs/dbraw/zinc/72/16/73/650721673.db2.gz MUYCDOLGZXGPDY-AWEZNQCLSA-N 2 1 294.443 2.374 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]C(C)C)C(C)(C)C1 ZINC000995875778 642080348 /nfs/dbraw/zinc/08/03/48/642080348.db2.gz WZZNAMXSSGPKSX-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(C)C)CC1 ZINC000996643646 642123658 /nfs/dbraw/zinc/12/36/58/642123658.db2.gz DNPZNQCGBYABTM-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921536920 642213788 /nfs/dbraw/zinc/21/37/88/642213788.db2.gz LLDNYQFEEJVUDY-GJZGRUSLSA-N 2 1 296.434 2.310 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1sccc1C ZINC000849016038 642232110 /nfs/dbraw/zinc/23/21/10/642232110.db2.gz NUEMAFATGXSXLJ-CYBMUJFWSA-N 2 1 294.468 2.197 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(C)C ZINC000849027988 642241411 /nfs/dbraw/zinc/24/14/11/642241411.db2.gz UHUPFCCNVBGWOO-ZDUSSCGKSA-N 2 1 254.422 2.021 20 0 CEADMP CC1(C)CCC[N@H+]1CCNC(=[NH2+])Nc1ccccc1 ZINC000849039439 642250537 /nfs/dbraw/zinc/25/05/37/642250537.db2.gz YPZPHDJMNSUTSR-UHFFFAOYSA-N 2 1 260.385 2.497 20 0 CEADMP CC[N@@H+](CCCNC(=[NH2+])NC1CC1)C1CCCCC1 ZINC000849047097 642256656 /nfs/dbraw/zinc/25/66/56/642256656.db2.gz QEAOVICSZSWIMI-UHFFFAOYSA-N 2 1 266.433 2.307 20 0 CEADMP C[C@H]1Cc2cc(C[NH2+][C@@H]3CCc4[nH+]ccn4C3)ccc2O1 ZINC000921633766 642290366 /nfs/dbraw/zinc/29/03/66/642290366.db2.gz RGGWQOIKKWEQLS-SWLSCSKDSA-N 2 1 283.375 2.311 20 0 CEADMP CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998200020 642373055 /nfs/dbraw/zinc/37/30/55/642373055.db2.gz SLQDSZYGKBFZBC-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998200020 642373057 /nfs/dbraw/zinc/37/30/57/642373057.db2.gz SLQDSZYGKBFZBC-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998200020 642373060 /nfs/dbraw/zinc/37/30/60/642373060.db2.gz SLQDSZYGKBFZBC-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(=O)[nH]c3)C2)CC1 ZINC000877497161 650751541 /nfs/dbraw/zinc/75/15/41/650751541.db2.gz HVYOWFNYLRRRGG-UHFFFAOYSA-N 2 1 275.396 2.095 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001016334387 642837525 /nfs/dbraw/zinc/83/75/25/642837525.db2.gz RMAPUNODBMLDSQ-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CCc1[nH]nc(Cl)c1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000922023288 642845217 /nfs/dbraw/zinc/84/52/17/642845217.db2.gz BTPDPAXMPTVMEH-SNVBAGLBSA-N 2 1 293.802 2.174 20 0 CEADMP c1cc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)n(C2CCC2)n1 ZINC000922026265 642847253 /nfs/dbraw/zinc/84/72/53/642847253.db2.gz SRRIJIMYVJJYFU-CYBMUJFWSA-N 2 1 285.395 2.157 20 0 CEADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]Cc1cnn(CC3CCC3)c1)CC2 ZINC000922064054 642861713 /nfs/dbraw/zinc/86/17/13/642861713.db2.gz RVNKKWGBHDERSI-HNNXBMFYSA-N 2 1 299.422 2.232 20 0 CEADMP Cc1ccoc1C[NH2+][C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922388275 643056342 /nfs/dbraw/zinc/05/63/42/643056342.db2.gz OKRQKTHBOFYZNN-TXCZRRACSA-N 2 1 292.423 2.157 20 0 CEADMP Cc1occc1C[NH2+][C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922390426 643058664 /nfs/dbraw/zinc/05/86/64/643058664.db2.gz MJHSHYAZZAMKTK-WCXIOVBPSA-N 2 1 292.423 2.157 20 0 CEADMP COC(CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC000851743114 643140991 /nfs/dbraw/zinc/14/09/91/643140991.db2.gz ZETGEFUHOHAALD-INIZCTEOSA-N 2 1 298.471 2.439 20 0 CEADMP COC(CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC000851743115 643141219 /nfs/dbraw/zinc/14/12/19/643141219.db2.gz ZETGEFUHOHAALD-MRXNPFEDSA-N 2 1 298.471 2.439 20 0 CEADMP CCO[C@H](C[NH2+]Cc1cccc2[nH]ccc21)C[NH+](C)C ZINC000922756189 643246611 /nfs/dbraw/zinc/24/66/11/643246611.db2.gz GQWFXMLCIQFULR-CQSZACIVSA-N 2 1 275.396 2.224 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCc2ccccc2C1)C[NH+](C)C ZINC000922762124 643250186 /nfs/dbraw/zinc/25/01/86/643250186.db2.gz UHKXOUJQBGCVTF-IAGOWNOFSA-N 2 1 276.424 2.100 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)CC1(C)C ZINC000922868654 643304555 /nfs/dbraw/zinc/30/45/55/643304555.db2.gz ALNJTEZXYRCULN-XDQVBPFNSA-N 2 1 282.428 2.131 20 0 CEADMP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001005180475 643393435 /nfs/dbraw/zinc/39/34/35/643393435.db2.gz SKCRCNPNTDPDQV-GOEBONIOSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2c3ccccc3CC[C@H]2O)CC1(C)C ZINC000922989303 643498264 /nfs/dbraw/zinc/49/82/64/643498264.db2.gz IJPJPMXPHOCMQE-UAGQMJEPSA-N 2 1 288.435 2.497 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2c3ccccc3CC[C@H]2O)CC1(C)C ZINC000922989303 643498266 /nfs/dbraw/zinc/49/82/66/643498266.db2.gz IJPJPMXPHOCMQE-UAGQMJEPSA-N 2 1 288.435 2.497 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000923004186 643508524 /nfs/dbraw/zinc/50/85/24/643508524.db2.gz AQOMZRISXVPILC-VDHUWJSZSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000923004186 643508526 /nfs/dbraw/zinc/50/85/26/643508526.db2.gz AQOMZRISXVPILC-VDHUWJSZSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC1SCCS1 ZINC000853022968 643624150 /nfs/dbraw/zinc/62/41/50/643624150.db2.gz JDPRNBLEFWMMJO-JFGNBEQYSA-N 2 1 260.472 2.159 20 0 CEADMP C[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC000923279051 643636147 /nfs/dbraw/zinc/63/61/47/643636147.db2.gz BRINEGKDSKICKY-CQSZACIVSA-N 2 1 286.778 2.196 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC000923279051 643636150 /nfs/dbraw/zinc/63/61/50/643636150.db2.gz BRINEGKDSKICKY-CQSZACIVSA-N 2 1 286.778 2.196 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000923283176 643638260 /nfs/dbraw/zinc/63/82/60/643638260.db2.gz STPPJVTWDYNHLW-AWEZNQCLSA-N 2 1 250.361 2.300 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000923283176 643638267 /nfs/dbraw/zinc/63/82/67/643638267.db2.gz STPPJVTWDYNHLW-AWEZNQCLSA-N 2 1 250.361 2.300 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000923289849 643642653 /nfs/dbraw/zinc/64/26/53/643642653.db2.gz UABGALPRUKTKBB-ZMYBRWDISA-N 2 1 298.430 2.412 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000923294136 643646134 /nfs/dbraw/zinc/64/61/34/643646134.db2.gz HLHRGRUWXSPWQI-LSDHHAIUSA-N 2 1 286.366 2.303 20 0 CEADMP CC(C)C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCCC1 ZINC000923304036 643651943 /nfs/dbraw/zinc/65/19/43/643651943.db2.gz BPQHDNWOBABOQT-HNNXBMFYSA-N 2 1 266.429 2.266 20 0 CEADMP Fc1cccc([C@H]2CCC[N@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923303910 643652104 /nfs/dbraw/zinc/65/21/04/643652104.db2.gz LYBSCUUIJFLVHH-HZPDHXFCSA-N 2 1 290.382 2.341 20 0 CEADMP Clc1cccc2c1CC[N@@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923312956 643653173 /nfs/dbraw/zinc/65/31/73/643653173.db2.gz NYNYCOFXFQPMSI-CYBMUJFWSA-N 2 1 292.810 2.077 20 0 CEADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923313921 643653328 /nfs/dbraw/zinc/65/33/28/643653328.db2.gz MRBGGRGLOBMLJY-LSDHHAIUSA-N 2 1 266.429 2.266 20 0 CEADMP FC(F)(F)CC[N@@H+](CC1CC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923318504 643655975 /nfs/dbraw/zinc/65/59/75/643655975.db2.gz LNVHMPWIXPSQNO-LBPRGKRZSA-N 2 1 292.345 2.029 20 0 CEADMP C[N@H+](Cc1cc2ccccc2o1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316676 643656095 /nfs/dbraw/zinc/65/60/95/643656095.db2.gz MLACPIFFAHCNSJ-HNNXBMFYSA-N 2 1 286.375 2.243 20 0 CEADMP Cc1ccc(C[C@H]2CCC[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)cc1 ZINC000923311391 643658800 /nfs/dbraw/zinc/65/88/00/643658800.db2.gz XGZFVPDKRFMDRC-OWSLCNJRSA-N 2 1 288.435 2.100 20 0 CEADMP Cc1nc2n(c1C)CC[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923324008 643663204 /nfs/dbraw/zinc/66/32/04/643663204.db2.gz ONRDNEHSOFHRQB-MQVJKMGUSA-N 2 1 288.439 2.236 20 0 CEADMP Cc1nc2n(c1C)CC[N@@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923324008 643663208 /nfs/dbraw/zinc/66/32/08/643663208.db2.gz ONRDNEHSOFHRQB-MQVJKMGUSA-N 2 1 288.439 2.236 20 0 CEADMP CC[N@@H+](C[C@@H](O)c1ccc(F)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000923334333 643667014 /nfs/dbraw/zinc/66/70/14/643667014.db2.gz CBVNDNTZENIGRK-XJKSGUPXSA-N 2 1 298.377 2.462 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(F)cc1F ZINC000923353245 643677973 /nfs/dbraw/zinc/67/79/73/643677973.db2.gz JBSZKVJGHCHQKM-WFASDCNBSA-N 2 1 284.350 2.202 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(F)cc1F ZINC000923353245 643677976 /nfs/dbraw/zinc/67/79/76/643677976.db2.gz JBSZKVJGHCHQKM-WFASDCNBSA-N 2 1 284.350 2.202 20 0 CEADMP O[C@@H](CC1CCCC1)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923365233 643680622 /nfs/dbraw/zinc/68/06/22/643680622.db2.gz DCQPHOXKQCXWRC-HOTGVXAUSA-N 2 1 266.429 2.003 20 0 CEADMP CC[C@H]1Cc2ccccc2C[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923370130 643682917 /nfs/dbraw/zinc/68/29/17/643682917.db2.gz BYEZUUCCRBGZBA-DLBZAZTESA-N 2 1 286.419 2.202 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)C1CCCCC1 ZINC000923374509 643685540 /nfs/dbraw/zinc/68/55/40/643685540.db2.gz UCJFFHXOARGTMF-CVEARBPZSA-N 2 1 298.377 2.495 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2F)[C@H]1CC[NH3+] ZINC000923386278 643691791 /nfs/dbraw/zinc/69/17/91/643691791.db2.gz JBLFZPFONBWUCY-RLCCDNCMSA-N 2 1 298.377 2.448 20 0 CEADMP C(C[N@H+]1CCS[C@H]2COCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923387664 643692959 /nfs/dbraw/zinc/69/29/59/643692959.db2.gz JLWFWOFVEQEBGN-AQBKWJQSSA-N 2 1 296.480 2.113 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCc2ccccc21 ZINC000923388553 643693794 /nfs/dbraw/zinc/69/37/94/643693794.db2.gz SBBORYXPVIWBII-HOCLYGCPSA-N 2 1 286.419 2.027 20 0 CEADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000923389408 643694677 /nfs/dbraw/zinc/69/46/77/643694677.db2.gz AANWFPHQNHOEMO-CVEARBPZSA-N 2 1 278.440 2.267 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923395587 643695652 /nfs/dbraw/zinc/69/56/52/643695652.db2.gz NZCHSGJJRYCZJW-BFHYXJOUSA-N 2 1 252.402 2.018 20 0 CEADMP CCc1onc(C)c1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923414708 643702352 /nfs/dbraw/zinc/70/23/52/643702352.db2.gz NVZIPHNXYJFALU-OCCSQVGLSA-N 2 1 263.385 2.119 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923414708 643702356 /nfs/dbraw/zinc/70/23/56/643702356.db2.gz NVZIPHNXYJFALU-OCCSQVGLSA-N 2 1 263.385 2.119 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H](O)Cc2ccccc2)[C@H]1C ZINC000923421882 643703279 /nfs/dbraw/zinc/70/32/79/643703279.db2.gz FNBPXMWQSMIRJD-WTTBNOFXSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H](O)Cc2ccccc2)[C@H]1C ZINC000923421882 643703280 /nfs/dbraw/zinc/70/32/80/643703280.db2.gz FNBPXMWQSMIRJD-WTTBNOFXSA-N 2 1 276.424 2.038 20 0 CEADMP O[C@@H](CCc1ccccc1)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000923426818 643706285 /nfs/dbraw/zinc/70/62/85/643706285.db2.gz GWNUCGFHIRUJTN-IRXDYDNUSA-N 2 1 288.435 2.244 20 0 CEADMP CC(C)c1cnc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)o1 ZINC000923452708 643721670 /nfs/dbraw/zinc/72/16/70/643721670.db2.gz WBYCDIWTWBEOHD-CYBMUJFWSA-N 2 1 293.411 2.128 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487101 643729940 /nfs/dbraw/zinc/72/99/40/643729940.db2.gz WXPBFFNFFUFRAO-KFWWJZLASA-N 2 1 254.418 2.252 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000923482698 643731732 /nfs/dbraw/zinc/73/17/32/643731732.db2.gz IIXAOMHKXLMVES-INIZCTEOSA-N 2 1 284.407 2.102 20 0 CEADMP CO[C@H](C)c1nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cs1 ZINC000923482937 643732254 /nfs/dbraw/zinc/73/22/54/643732254.db2.gz JMFMWPRWLNALTK-GHMZBOCLSA-N 2 1 269.414 2.021 20 0 CEADMP CO[C@H](C)c1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cs1 ZINC000923482937 643732258 /nfs/dbraw/zinc/73/22/58/643732258.db2.gz JMFMWPRWLNALTK-GHMZBOCLSA-N 2 1 269.414 2.021 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CC[C@@H]1C[NH3+] ZINC000923495764 643733840 /nfs/dbraw/zinc/73/38/40/643733840.db2.gz XOINQXJGEPMWGK-TZMCWYRMSA-N 2 1 260.381 2.134 20 0 CEADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923489615 643734905 /nfs/dbraw/zinc/73/49/05/643734905.db2.gz FLKLESBYIQQWGT-AWEZNQCLSA-N 2 1 290.407 2.459 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)C1CCCC1 ZINC000923488083 643735164 /nfs/dbraw/zinc/73/51/64/643735164.db2.gz DAIKQYLSFUMBHK-VHDGCEQUSA-N 2 1 254.418 2.108 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)ccc1C ZINC000923488125 643735187 /nfs/dbraw/zinc/73/51/87/643735187.db2.gz DNZHKUGJIHMFTA-DZGCQCFKSA-N 2 1 290.407 2.198 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(Cl)n1 ZINC000923494809 643738542 /nfs/dbraw/zinc/73/85/42/643738542.db2.gz OXUCQTLGLBASRJ-CMPLNLGQSA-N 2 1 267.804 2.460 20 0 CEADMP COc1ccc(C)cc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497238 643739835 /nfs/dbraw/zinc/73/98/35/643739835.db2.gz ATLWDPWXOARFSY-ZIAGYGMSSA-N 2 1 262.397 2.420 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516448 643747530 /nfs/dbraw/zinc/74/75/30/643747530.db2.gz FVHVDZRDIGRIPQ-JKSUJKDBSA-N 2 1 274.408 2.224 20 0 CEADMP COc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517984 643748128 /nfs/dbraw/zinc/74/81/28/643748128.db2.gz CVLZMXUJRMMLCL-DZGCQCFKSA-N 2 1 260.381 2.045 20 0 CEADMP CSc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518920 643748288 /nfs/dbraw/zinc/74/82/88/643748288.db2.gz GIJVDXCCPRPJNF-GXTWGEPZSA-N 2 1 262.422 2.450 20 0 CEADMP CC1(C)C[C@@H](c2ccccc2)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000923526044 643751350 /nfs/dbraw/zinc/75/13/50/643751350.db2.gz NLCLJFHTCNZWFM-QGZVFWFLSA-N 2 1 287.451 2.160 20 0 CEADMP C[N@H+](CC(=O)NCCC1=CCCCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923554588 643760087 /nfs/dbraw/zinc/76/00/87/643760087.db2.gz OSIXPIQLULFLGJ-CVEARBPZSA-N 2 1 293.455 2.052 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCC=CO2)C1 ZINC000774908227 643811640 /nfs/dbraw/zinc/81/16/40/643811640.db2.gz HPWQYVDGBDWGFC-CVEARBPZSA-N 2 1 264.413 2.343 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC000774908227 643811644 /nfs/dbraw/zinc/81/16/44/643811644.db2.gz HPWQYVDGBDWGFC-CVEARBPZSA-N 2 1 264.413 2.343 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000774908227 643811648 /nfs/dbraw/zinc/81/16/48/643811648.db2.gz HPWQYVDGBDWGFC-CVEARBPZSA-N 2 1 264.413 2.343 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@H]1CO[NH+]=C(N)[C@@H]1C[C@H]1C ZINC000853730327 643880394 /nfs/dbraw/zinc/88/03/94/643880394.db2.gz FBHZGFGSAVGZGE-FRRDWIJNSA-N 2 1 253.390 2.404 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CO[NH+]=C(N)[C@@H]1C[C@H]1C ZINC000853730327 643880403 /nfs/dbraw/zinc/88/04/03/643880403.db2.gz FBHZGFGSAVGZGE-FRRDWIJNSA-N 2 1 253.390 2.404 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CC ZINC000111547730 643881911 /nfs/dbraw/zinc/88/19/11/643881911.db2.gz NFRRBRGHQKARKL-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000111547730 643881918 /nfs/dbraw/zinc/88/19/18/643881918.db2.gz NFRRBRGHQKARKL-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000111547730 643881924 /nfs/dbraw/zinc/88/19/24/643881924.db2.gz NFRRBRGHQKARKL-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP COC1(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CCCCC1 ZINC000877740223 650883306 /nfs/dbraw/zinc/88/33/06/650883306.db2.gz JCTRZBKVJYDSSX-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP COC1(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CCCCC1 ZINC000877740223 650883310 /nfs/dbraw/zinc/88/33/10/650883310.db2.gz JCTRZBKVJYDSSX-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP COC1(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CCCCC1 ZINC000877740223 650883311 /nfs/dbraw/zinc/88/33/11/650883311.db2.gz JCTRZBKVJYDSSX-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP Cc1ccc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c(C)c1 ZINC000111824607 643965849 /nfs/dbraw/zinc/96/58/49/643965849.db2.gz DXZPOQGHNCEBMW-KRWDZBQOSA-N 2 1 287.451 2.425 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000838793552 644013572 /nfs/dbraw/zinc/01/35/72/644013572.db2.gz NVFCXYLKSNFHCN-INIZCTEOSA-N 2 1 268.445 2.201 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCC3CCOCC3)CC[C@H]21 ZINC000877742223 650886328 /nfs/dbraw/zinc/88/63/28/650886328.db2.gz OMUKANAHWRYJGW-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCC3CCOCC3)CC[C@H]21 ZINC000877742223 650886336 /nfs/dbraw/zinc/88/63/36/650886336.db2.gz OMUKANAHWRYJGW-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCC3CCOCC3)CC[C@H]21 ZINC000877742223 650886342 /nfs/dbraw/zinc/88/63/42/650886342.db2.gz OMUKANAHWRYJGW-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC3CCOCC3)CC[C@H]21 ZINC000877742223 650886356 /nfs/dbraw/zinc/88/63/56/650886356.db2.gz OMUKANAHWRYJGW-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](C)C1CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000877959437 650958920 /nfs/dbraw/zinc/95/89/20/650958920.db2.gz MCSNJMUYGWDMTL-CQSZACIVSA-N 2 1 252.402 2.114 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCC12CCCCC2 ZINC000759387010 645020563 /nfs/dbraw/zinc/02/05/63/645020563.db2.gz MODFGUVMZHDUAK-HNNXBMFYSA-N 2 1 266.429 2.242 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCC12CCCCC2 ZINC000759387010 645020568 /nfs/dbraw/zinc/02/05/68/645020568.db2.gz MODFGUVMZHDUAK-HNNXBMFYSA-N 2 1 266.429 2.242 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@](C)(O)c2ccccc2)CC1(C)C ZINC000858137251 645072158 /nfs/dbraw/zinc/07/21/58/645072158.db2.gz KPTGZMGMGMKBTK-NVXWUHKLSA-N 2 1 276.424 2.357 20 0 CEADMP OCc1cc(N2CCC[N@H+](C3CCCC3)CC2)cc[nH+]1 ZINC000858417939 645151033 /nfs/dbraw/zinc/15/10/33/645151033.db2.gz KHBLCEMEIZEBQF-UHFFFAOYSA-N 2 1 275.396 2.029 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccnc(F)c2)C1 ZINC000859152465 645390232 /nfs/dbraw/zinc/39/02/32/645390232.db2.gz AVTRJZUSPRHVDC-OAHLLOKOSA-N 2 1 295.402 2.153 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccnc(F)c2)C1 ZINC000859152465 645390238 /nfs/dbraw/zinc/39/02/38/645390238.db2.gz AVTRJZUSPRHVDC-OAHLLOKOSA-N 2 1 295.402 2.153 20 0 CEADMP C[N@@H+](C[C@@H]1CC2(CCC2)CO1)C[C@H]1CCC[NH+](C)C1 ZINC000878126201 651007542 /nfs/dbraw/zinc/00/75/42/651007542.db2.gz UORHFFHOCNZPMX-GJZGRUSLSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](C[C@@H]1CC2(CCC2)CO1)C[C@H]1CCC[N@H+](C)C1 ZINC000878126201 651007545 /nfs/dbraw/zinc/00/75/45/651007545.db2.gz UORHFFHOCNZPMX-GJZGRUSLSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](C[C@@H]1CC2(CCC2)CO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000878126201 651007547 /nfs/dbraw/zinc/00/75/47/651007547.db2.gz UORHFFHOCNZPMX-GJZGRUSLSA-N 2 1 266.429 2.219 20 0 CEADMP CN(C)C(=O)CCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213249 645422381 /nfs/dbraw/zinc/42/23/81/645422381.db2.gz UMYVNZVHTOCMEV-UHFFFAOYSA-N 2 1 291.439 2.048 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878159830 651017856 /nfs/dbraw/zinc/01/78/56/651017856.db2.gz XFSFOCJEQFZAEQ-KFWWJZLASA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878159830 651017859 /nfs/dbraw/zinc/01/78/59/651017859.db2.gz XFSFOCJEQFZAEQ-KFWWJZLASA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC[N@@H+]1C ZINC000878163576 651020187 /nfs/dbraw/zinc/02/01/87/651020187.db2.gz USJOJODHYWZSGQ-SUJAAXHWSA-N 2 1 266.429 2.359 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC[N@H+]1C ZINC000878163576 651020188 /nfs/dbraw/zinc/02/01/88/651020188.db2.gz USJOJODHYWZSGQ-SUJAAXHWSA-N 2 1 266.429 2.359 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC[NH+]1C ZINC000878163576 651020191 /nfs/dbraw/zinc/02/01/91/651020191.db2.gz USJOJODHYWZSGQ-SUJAAXHWSA-N 2 1 266.429 2.359 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC[NH+]1C ZINC000878163576 651020193 /nfs/dbraw/zinc/02/01/93/651020193.db2.gz USJOJODHYWZSGQ-SUJAAXHWSA-N 2 1 266.429 2.359 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H](O)C(C)C)C[C@H]1C ZINC000878163540 651020289 /nfs/dbraw/zinc/02/02/89/651020289.db2.gz SVYQCUUYYXFWNE-QLFBSQMISA-N 2 1 256.434 2.198 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H](O)C(C)C)C[C@H]1C ZINC000878163540 651020293 /nfs/dbraw/zinc/02/02/93/651020293.db2.gz SVYQCUUYYXFWNE-QLFBSQMISA-N 2 1 256.434 2.198 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCCOC(F)(F)F)CC1 ZINC000878164552 651020713 /nfs/dbraw/zinc/02/07/13/651020713.db2.gz JHBMBJLGHAJROO-UHFFFAOYSA-N 2 1 268.323 2.329 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCCOC(F)(F)F)CC1 ZINC000878164552 651020715 /nfs/dbraw/zinc/02/07/15/651020715.db2.gz JHBMBJLGHAJROO-UHFFFAOYSA-N 2 1 268.323 2.329 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878164825 651021135 /nfs/dbraw/zinc/02/11/35/651021135.db2.gz OXYSKCZAYQDYAY-INIZCTEOSA-N 2 1 296.455 2.131 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878164825 651021138 /nfs/dbraw/zinc/02/11/38/651021138.db2.gz OXYSKCZAYQDYAY-INIZCTEOSA-N 2 1 296.455 2.131 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC4(CCC4)CO3)CC[C@@H]21 ZINC000878197858 651033741 /nfs/dbraw/zinc/03/37/41/651033741.db2.gz QYKLLPLLQOXZAS-PMPSAXMXSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CC4(CCC4)CO3)CC[C@@H]21 ZINC000878197858 651033746 /nfs/dbraw/zinc/03/37/46/651033746.db2.gz QYKLLPLLQOXZAS-PMPSAXMXSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC4(CCC4)CO3)CC[C@@H]21 ZINC000878197858 651033750 /nfs/dbraw/zinc/03/37/50/651033750.db2.gz QYKLLPLLQOXZAS-PMPSAXMXSA-N 2 1 278.440 2.362 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000878236260 651042634 /nfs/dbraw/zinc/04/26/34/651042634.db2.gz VSBDKMXWDWMHHG-MRXNPFEDSA-N 2 1 296.455 2.177 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CC[N@@H+](C)C2)CC1 ZINC000765768792 645806140 /nfs/dbraw/zinc/80/61/40/645806140.db2.gz KFOQVWRUWAKBFZ-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCN(C)C2)CC1 ZINC000765768792 645806149 /nfs/dbraw/zinc/80/61/49/645806149.db2.gz KFOQVWRUWAKBFZ-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[S@@](C)=O)cc1 ZINC000766049972 645840485 /nfs/dbraw/zinc/84/04/85/645840485.db2.gz NRHHLTMINXERPV-MPBGBICISA-N 2 1 291.420 2.210 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000768163050 646091814 /nfs/dbraw/zinc/09/18/14/646091814.db2.gz RZACVLASLKDIJQ-ARFHVFGLSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000768163050 646091816 /nfs/dbraw/zinc/09/18/16/646091816.db2.gz RZACVLASLKDIJQ-ARFHVFGLSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)ccnc1F ZINC000862224283 646369328 /nfs/dbraw/zinc/36/93/28/646369328.db2.gz OZESKVIGUIFZMC-CYBMUJFWSA-N 2 1 265.376 2.303 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccnc(F)c1C ZINC000862272040 646386744 /nfs/dbraw/zinc/38/67/44/646386744.db2.gz HJCGGWYRZTXZLX-UHFFFAOYSA-N 2 1 262.332 2.214 20 0 CEADMP Cc1c(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)ccnc1F ZINC000862283187 646393094 /nfs/dbraw/zinc/39/30/94/646393094.db2.gz CDYYFHCQKVSWHD-ZIAGYGMSSA-N 2 1 265.376 2.492 20 0 CEADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)[C@@H](C)[C@H]1C ZINC000771392782 646516191 /nfs/dbraw/zinc/51/61/91/646516191.db2.gz AQDXDUYXIYCSQZ-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)[C@@H](C)[C@H]1C ZINC000771392782 646516194 /nfs/dbraw/zinc/51/61/94/646516194.db2.gz AQDXDUYXIYCSQZ-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000771392782 646516197 /nfs/dbraw/zinc/51/61/97/646516197.db2.gz AQDXDUYXIYCSQZ-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000771392782 646516201 /nfs/dbraw/zinc/51/62/01/646516201.db2.gz AQDXDUYXIYCSQZ-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cnc(C)s2)[C@@H](C)C1 ZINC000773079864 646704807 /nfs/dbraw/zinc/70/48/07/646704807.db2.gz DOCKVXRDOOBJQF-SMDDNHRTSA-N 2 1 267.442 2.314 20 0 CEADMP Cc1ncc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000773083673 646704828 /nfs/dbraw/zinc/70/48/28/646704828.db2.gz VDASYGSIRFZBPS-CHWSQXEVSA-N 2 1 265.426 2.210 20 0 CEADMP CCOc1cccc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000863541570 646750759 /nfs/dbraw/zinc/75/07/59/646750759.db2.gz OOFZNGHTAAYZKV-ZDUSSCGKSA-N 2 1 278.396 2.244 20 0 CEADMP C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000864050118 646869668 /nfs/dbraw/zinc/86/96/68/646869668.db2.gz VNAWLLSFUXLFCF-IYBDPMFKSA-N 2 1 292.448 2.252 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000774910816 646908568 /nfs/dbraw/zinc/90/85/68/646908568.db2.gz SKQLFELEFHWJJB-JKSUJKDBSA-N 2 1 282.428 2.112 20 0 CEADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCCC[N@H+]1CCCC[C@H]1C ZINC000864451394 647007490 /nfs/dbraw/zinc/00/74/90/647007490.db2.gz HQJPJXJVRCRTLB-MCIONIFRSA-N 2 1 266.433 2.163 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])N[C@@H]2C[C@@H]2C)c1 ZINC000864456981 647011749 /nfs/dbraw/zinc/01/17/49/647011749.db2.gz OLMKCSSXUGRMLZ-SWLSCSKDSA-N 2 1 274.412 2.161 20 0 CEADMP CC[C@@H]1CCN(C(=[NH2+])NCCCCn2cc[nH+]c2C)C1 ZINC000864459824 647014807 /nfs/dbraw/zinc/01/48/07/647014807.db2.gz DCAKHCNWFPEXFR-CQSZACIVSA-N 2 1 277.416 2.228 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865417329 647284386 /nfs/dbraw/zinc/28/43/86/647284386.db2.gz HFDPPRVUQHEBFN-JTQLQIEISA-N 2 1 271.767 2.306 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865417329 647284387 /nfs/dbraw/zinc/28/43/87/647284387.db2.gz HFDPPRVUQHEBFN-JTQLQIEISA-N 2 1 271.767 2.306 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)CCCC2 ZINC000865483269 647319263 /nfs/dbraw/zinc/31/92/63/647319263.db2.gz HGANNMWLWWAWSY-KGLIPLIRSA-N 2 1 290.455 2.261 20 0 CEADMP C[NH+](C)[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)c1cccc(F)c1 ZINC000925493828 647342953 /nfs/dbraw/zinc/34/29/53/647342953.db2.gz MBIAYXNGSYQPCP-OAGGEKHMSA-N 2 1 291.414 2.288 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CC1(C)OCCO1 ZINC000865673330 647417922 /nfs/dbraw/zinc/41/79/22/647417922.db2.gz YSGXVEHMTSMOCI-ZIAGYGMSSA-N 2 1 284.444 2.238 20 0 CEADMP C[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)CC1(C)OCCO1 ZINC000865674746 647418914 /nfs/dbraw/zinc/41/89/14/647418914.db2.gz ZCECJRHULCLCQO-ZDUSSCGKSA-N 2 1 293.411 2.026 20 0 CEADMP C[NH+]1CCC(NC[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000865804871 647469104 /nfs/dbraw/zinc/46/91/04/647469104.db2.gz KAMJUOHJDCLIQQ-QGZVFWFLSA-N 2 1 279.472 2.467 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCC2(CCCC2)C1 ZINC000782636240 647647658 /nfs/dbraw/zinc/64/76/58/647647658.db2.gz FWZQALDQYFGGCF-HNNXBMFYSA-N 2 1 266.429 2.099 20 0 CEADMP CCOCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000782959053 647665891 /nfs/dbraw/zinc/66/58/91/647665891.db2.gz KPKGQGODZICMIF-MRXNPFEDSA-N 2 1 292.423 2.491 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2cccnc2)C1 ZINC000866237765 647686676 /nfs/dbraw/zinc/68/66/76/647686676.db2.gz LJZIMHNFBBDJSH-GDBMZVCRSA-N 2 1 261.413 2.334 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)CCOCC1 ZINC000866267040 647706222 /nfs/dbraw/zinc/70/62/22/647706222.db2.gz YSEAQZIHGHNRLT-HZPDHXFCSA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)CCC[NH3+] ZINC000866660208 647859302 /nfs/dbraw/zinc/85/93/02/647859302.db2.gz DGMAUEJLOGRDEJ-OAHLLOKOSA-N 2 1 277.412 2.017 20 0 CEADMP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)CCC[NH3+] ZINC000866660208 647859306 /nfs/dbraw/zinc/85/93/06/647859306.db2.gz DGMAUEJLOGRDEJ-OAHLLOKOSA-N 2 1 277.412 2.017 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866689489 647870353 /nfs/dbraw/zinc/87/03/53/647870353.db2.gz JRCDMGZEZOKCBZ-UHFFFAOYSA-N 2 1 286.379 2.058 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866689489 647870358 /nfs/dbraw/zinc/87/03/58/647870358.db2.gz JRCDMGZEZOKCBZ-UHFFFAOYSA-N 2 1 286.379 2.058 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCCCCC[NH3+])C1 ZINC000866708552 647878301 /nfs/dbraw/zinc/87/83/01/647878301.db2.gz ROFSTODCWOTIFG-HNNXBMFYSA-N 3 1 255.450 2.202 20 0 CEADMP CC(C)(C)[C@]1(CN)CC[N@H+](CCCCCC[NH3+])C1 ZINC000866708552 647878302 /nfs/dbraw/zinc/87/83/02/647878302.db2.gz ROFSTODCWOTIFG-HNNXBMFYSA-N 2 1 255.450 2.202 20 0 CEADMP CC(C)(C)[C@]1(CN)CC[N@@H+](CCCCCC[NH3+])C1 ZINC000866708552 647878304 /nfs/dbraw/zinc/87/83/04/647878304.db2.gz ROFSTODCWOTIFG-HNNXBMFYSA-N 2 1 255.450 2.202 20 0 CEADMP CN1CC[N@@H+](CCCC2CC[NH2+]CC2)Cc2cccnc21 ZINC000866728140 647885131 /nfs/dbraw/zinc/88/51/31/647885131.db2.gz YCQWSRXOSSXHEF-UHFFFAOYSA-N 2 1 288.439 2.113 20 0 CEADMP C[NH+]1CCC(CN2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000788479073 648192678 /nfs/dbraw/zinc/19/26/78/648192678.db2.gz NFPDZMVVXSJDDR-UHFFFAOYSA-N 2 1 279.472 2.279 20 0 CEADMP CC[N@@H+](CC(=O)NCCC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000870957028 648961467 /nfs/dbraw/zinc/96/14/67/648961467.db2.gz UJONWNWHLAYVNR-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[C@@H]1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785106 649184351 /nfs/dbraw/zinc/18/43/51/649184351.db2.gz RJRDMOHLOIHJAE-AAGQIVHDSA-N 2 1 251.374 2.014 20 0 CEADMP C[C@H]1C[C@@H]1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785106 649184355 /nfs/dbraw/zinc/18/43/55/649184355.db2.gz RJRDMOHLOIHJAE-AAGQIVHDSA-N 2 1 251.374 2.014 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCOC1 ZINC000872021446 649243584 /nfs/dbraw/zinc/24/35/84/649243584.db2.gz PLFYEVHOHBYARK-YCPHGPKFSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)[C@H](C)C1 ZINC000872122109 649283337 /nfs/dbraw/zinc/28/33/37/649283337.db2.gz BQSCQCFEFAWURC-YPMHNXCESA-N 2 1 289.379 2.353 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)[C@H](C)C1 ZINC000872122109 649283339 /nfs/dbraw/zinc/28/33/39/649283339.db2.gz BQSCQCFEFAWURC-YPMHNXCESA-N 2 1 289.379 2.353 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)CO2)C[C@@H]1C(F)(F)F ZINC000872148828 649297913 /nfs/dbraw/zinc/29/79/13/649297913.db2.gz IBJWJMSMVHGWRH-UTUOFQBUSA-N 2 1 292.345 2.015 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)CO2)C[C@@H]1C(F)(F)F ZINC000872148828 649297916 /nfs/dbraw/zinc/29/79/16/649297916.db2.gz IBJWJMSMVHGWRH-UTUOFQBUSA-N 2 1 292.345 2.015 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CCCCC1 ZINC000872153918 649298255 /nfs/dbraw/zinc/29/82/55/649298255.db2.gz KALGTEGFCGUPNF-ARFHVFGLSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H](C(=O)NCc1ccccc1)[N@@H+](C)CCCCCC[NH3+] ZINC000872154906 649298399 /nfs/dbraw/zinc/29/83/99/649298399.db2.gz DVFDBYUVZSXSAF-OAHLLOKOSA-N 2 1 291.439 2.142 20 0 CEADMP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCCCCC[NH3+])[C@@H]1C ZINC000872155634 649299414 /nfs/dbraw/zinc/29/94/14/649299414.db2.gz XGLCYHDDGWWGTC-BZUAXINKSA-N 2 1 297.487 2.378 20 0 CEADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000872157840 649300457 /nfs/dbraw/zinc/30/04/57/649300457.db2.gz RSOMMRPMVMHFAC-ZWKOTPCHSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000872157840 649300459 /nfs/dbraw/zinc/30/04/59/649300459.db2.gz RSOMMRPMVMHFAC-ZWKOTPCHSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000872157840 649300460 /nfs/dbraw/zinc/30/04/60/649300460.db2.gz RSOMMRPMVMHFAC-ZWKOTPCHSA-N 2 1 285.435 2.001 20 0 CEADMP CC(C)NC(=O)C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157867 649300659 /nfs/dbraw/zinc/30/06/59/649300659.db2.gz SVAGEYXEDOGPPD-GOEBONIOSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000872276896 649339784 /nfs/dbraw/zinc/33/97/84/649339784.db2.gz TZCLSYFEHLQYCF-FPCVCCKLSA-N 2 1 295.471 2.131 20 0 CEADMP Cc1[nH+]ccn1CCCNc1cc[nH+]cc1C1CC1 ZINC000872464087 649396888 /nfs/dbraw/zinc/39/68/88/649396888.db2.gz RHNYWDQNWIYCTB-UHFFFAOYSA-N 2 1 256.353 2.388 20 0 CEADMP C[C@H]1CN(c2cc[nH+]cc2C2CC2)CC[N@H+]1CC(C)(C)O ZINC000872517850 649411711 /nfs/dbraw/zinc/41/17/11/649411711.db2.gz ZXWRTVAXNFETHN-ZDUSSCGKSA-N 2 1 289.423 2.240 20 0 CEADMP COCC(C)(C)CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000873153093 649572071 /nfs/dbraw/zinc/57/20/71/649572071.db2.gz YKGRZCVUTJHJCN-UHFFFAOYSA-N 2 1 285.457 2.357 20 0 CEADMP C[N@@H+](CCNCc1cc2c(s1)CC[NH2+]C2)C1CCCC1 ZINC000873212483 649591644 /nfs/dbraw/zinc/59/16/44/649591644.db2.gz LWMFCMCUSKNPCG-UHFFFAOYSA-N 2 1 293.480 2.358 20 0 CEADMP CN(CC[NH2+]Cc1cc2c(s1)CC[NH2+]C2)C1CCCC1 ZINC000873212483 649591647 /nfs/dbraw/zinc/59/16/47/649591647.db2.gz LWMFCMCUSKNPCG-UHFFFAOYSA-N 2 1 293.480 2.358 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)C1CC[NH+](C)CC1 ZINC000873235251 649604188 /nfs/dbraw/zinc/60/41/88/649604188.db2.gz MQUDSGDDBWIBPJ-UKRRQHHQSA-N 3 1 267.461 2.085 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC(C)(C)C[NH2+]2)[C@@H]2CCC[C@@H]21 ZINC000873236717 649604740 /nfs/dbraw/zinc/60/47/40/649604740.db2.gz IZBSFKRCFGWJJO-VGWMRTNUSA-N 2 1 279.472 2.227 20 0 CEADMP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000873243362 649606749 /nfs/dbraw/zinc/60/67/49/649606749.db2.gz XHLBNPXHZRFDNU-GDBMZVCRSA-N 3 1 267.461 2.085 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000873255595 649611649 /nfs/dbraw/zinc/61/16/49/649611649.db2.gz HZEWCERHQCQWDJ-CALCHBBNSA-N 3 1 287.451 2.020 20 0 CEADMP N[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000873262329 649616013 /nfs/dbraw/zinc/61/60/13/649616013.db2.gz WYECVHSIVMEISH-RAZVHJQOSA-N 2 1 271.408 2.251 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)C1C[NH2+]C1 ZINC000873281376 649624054 /nfs/dbraw/zinc/62/40/54/649624054.db2.gz HZLWGAQYKQSEFX-ZETCQYMHSA-N 2 1 264.316 2.464 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC000873282830 649624731 /nfs/dbraw/zinc/62/47/31/649624731.db2.gz HQNPOTLLALSZQN-RYUDHWBXSA-N 2 1 275.352 2.283 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1)C(C)(C)C ZINC000878865817 651200509 /nfs/dbraw/zinc/20/05/09/651200509.db2.gz NMYQCEXWJMXEFA-ZFWWWQNUSA-N 2 1 256.434 2.057 20 0 CEADMP COCC[N@@H+](C[C@@H]1CC(C)(C)CO1)CC1CC[NH+](C)CC1 ZINC000879126561 651247571 /nfs/dbraw/zinc/24/75/71/651247571.db2.gz JAAZSPUGEMVCNB-INIZCTEOSA-N 2 1 298.471 2.092 20 0 CEADMP COCC[N@@H+](C[C@@H](OC)C1CCC1)CC1CC[NH+](C)CC1 ZINC000879126592 651247642 /nfs/dbraw/zinc/24/76/42/651247642.db2.gz KMOSDTNQALJMIF-QGZVFWFLSA-N 2 1 298.471 2.092 20 0 CEADMP CCO[C@@H](C[N@@H+](CCOC)CC1CC[NH+](C)CC1)C1CC1 ZINC000879127046 651247674 /nfs/dbraw/zinc/24/76/74/651247674.db2.gz QGLSAONPAZELGV-KRWDZBQOSA-N 2 1 298.471 2.092 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879251460 651270700 /nfs/dbraw/zinc/27/07/00/651270700.db2.gz WTXLJYBJYQMDLT-UHFFFAOYSA-N 3 1 290.455 2.161 20 0 CEADMP CN(CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)c1ccccc1 ZINC000879577428 651325339 /nfs/dbraw/zinc/32/53/39/651325339.db2.gz XTPRWXGGVLFIPZ-WBVHZDCISA-N 2 1 273.424 2.149 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCOCC3CCCC3)CC[C@@H]21 ZINC000879579308 651326014 /nfs/dbraw/zinc/32/60/14/651326014.db2.gz KUZLJVNHZMFQBH-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCOCC3CCCC3)CC[C@@H]21 ZINC000879579308 651326016 /nfs/dbraw/zinc/32/60/16/651326016.db2.gz KUZLJVNHZMFQBH-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCOCC3CCCC3)CC[C@@H]21 ZINC000879579308 651326018 /nfs/dbraw/zinc/32/60/18/651326018.db2.gz KUZLJVNHZMFQBH-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCOCC3CCCC3)CC[C@@H]21 ZINC000879579308 651326022 /nfs/dbraw/zinc/32/60/22/651326022.db2.gz KUZLJVNHZMFQBH-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@H](O)CCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950907 651364572 /nfs/dbraw/zinc/36/45/72/651364572.db2.gz DCFUTHYXYSXPMT-HNNXBMFYSA-N 2 1 268.445 2.488 20 0 CEADMP COC(=O)[C@]12CCC[C@H]1[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC2 ZINC000880180187 651396046 /nfs/dbraw/zinc/39/60/46/651396046.db2.gz FPRGLRDCXGIMQA-UXLLHSPISA-N 2 1 294.439 2.278 20 0 CEADMP COC(=O)[C@]12CCC[C@H]1[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC2 ZINC000880180187 651396047 /nfs/dbraw/zinc/39/60/47/651396047.db2.gz FPRGLRDCXGIMQA-UXLLHSPISA-N 2 1 294.439 2.278 20 0 CEADMP COC(=O)[C@]12CCC[C@H]1[NH+](CC[C@@H]1CCCC[N@H+]1C)CC2 ZINC000880180187 651396048 /nfs/dbraw/zinc/39/60/48/651396048.db2.gz FPRGLRDCXGIMQA-UXLLHSPISA-N 2 1 294.439 2.278 20 0 CEADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H](C)O)CC1 ZINC000880253900 651410500 /nfs/dbraw/zinc/41/05/00/651410500.db2.gz DVQZGJHDPGDYGY-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP Cc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nc(C)n1 ZINC000880258909 651411090 /nfs/dbraw/zinc/41/10/90/651411090.db2.gz KKBVMWPBNXNRKR-AWEZNQCLSA-N 2 1 297.406 2.199 20 0 CEADMP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nc(C)n1 ZINC000880258909 651411092 /nfs/dbraw/zinc/41/10/92/651411092.db2.gz KKBVMWPBNXNRKR-AWEZNQCLSA-N 2 1 297.406 2.199 20 0 CEADMP C[C@H]1C[N@@H+](CC2CCC(=O)CC2)CCN1c1cc[nH+]cc1 ZINC000880258878 651411267 /nfs/dbraw/zinc/41/12/67/651411267.db2.gz DMIRQQOVNDDAKR-AWEZNQCLSA-N 2 1 287.407 2.351 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC2(CCCCO2)CC1 ZINC000880458149 651444544 /nfs/dbraw/zinc/44/45/44/651444544.db2.gz GATZECBNIDXLAN-UHFFFAOYSA-N 2 1 277.412 2.388 20 0 CEADMP Cc1cnc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000880517051 651454072 /nfs/dbraw/zinc/45/40/72/651454072.db2.gz IRZIZTFDYJUHHJ-UHFFFAOYSA-N 2 1 276.428 2.483 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000880517749 651454090 /nfs/dbraw/zinc/45/40/90/651454090.db2.gz VTAARDJWGGYPKJ-OAHLLOKOSA-N 2 1 294.439 2.280 20 0 CEADMP O=c1oc2ccc(C[NH2+]CCC[NH+]3CCCCC3)cc2o1 ZINC000882881077 652246774 /nfs/dbraw/zinc/24/67/74/652246774.db2.gz XBASCXOTUMELCU-UHFFFAOYSA-N 2 1 290.363 2.352 20 0 CEADMP FC1(F)CCC[C@@H]1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000883427983 652466545 /nfs/dbraw/zinc/46/65/45/652466545.db2.gz IJFIBCIWYRJEKX-XQQFMLRXSA-N 2 1 258.356 2.496 20 0 CEADMP FC1(F)CCC[C@@H]1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000883427983 652466547 /nfs/dbraw/zinc/46/65/47/652466547.db2.gz IJFIBCIWYRJEKX-XQQFMLRXSA-N 2 1 258.356 2.496 20 0 CEADMP CC1(C)CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)O1 ZINC000883437673 652469699 /nfs/dbraw/zinc/46/96/99/652469699.db2.gz XZEKFXCXSBGHFZ-GZBFAFLISA-N 2 1 252.402 2.147 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)O1 ZINC000883437673 652469701 /nfs/dbraw/zinc/46/97/01/652469701.db2.gz XZEKFXCXSBGHFZ-GZBFAFLISA-N 2 1 252.402 2.147 20 0 CEADMP [NH3+][C@@H](C[C@H]1CCC[N@H+](C[C@@H]2C[C@H](F)CN2)C1)C1CCCC1 ZINC000883441091 652471498 /nfs/dbraw/zinc/47/14/98/652471498.db2.gz HBZLLVKMFZGQGB-IWCQGFGOSA-N 2 1 297.462 2.306 20 0 CEADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](C[C@@H]2C[C@H](F)CN2)C1)C1CCCC1 ZINC000883441091 652471500 /nfs/dbraw/zinc/47/15/00/652471500.db2.gz HBZLLVKMFZGQGB-IWCQGFGOSA-N 2 1 297.462 2.306 20 0 CEADMP CO[C@@]1(C(F)(F)F)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000883447502 652472600 /nfs/dbraw/zinc/47/26/00/652472600.db2.gz DCZBFZFLLYDNCJ-NEPJUHHUSA-N 2 1 280.334 2.029 20 0 CEADMP COC(=O)C(C)(C)C[N@@H+](CC[C@H]1CC[NH2+]C1)CC(C)C ZINC000883460971 652477215 /nfs/dbraw/zinc/47/72/15/652477215.db2.gz LNZUGHWBVUICOQ-CQSZACIVSA-N 2 1 284.444 2.143 20 0 CEADMP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000883462708 652477982 /nfs/dbraw/zinc/47/79/82/652477982.db2.gz XWNLDZVLILIYLV-VBQJREDUSA-N 2 1 284.403 2.442 20 0 CEADMP CC[NH+](CC)CCCOC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000800218269 652690477 /nfs/dbraw/zinc/69/04/77/652690477.db2.gz NMWNCPYNBZXGQI-OKILXGFUSA-N 2 1 270.417 2.134 20 0 CEADMP Cc1n[nH]c(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1C ZINC000885901638 653066236 /nfs/dbraw/zinc/06/62/36/653066236.db2.gz NONKVQLQDKMVCI-LBPRGKRZSA-N 2 1 264.417 2.381 20 0 CEADMP Cc1n[nH]c(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC000885901638 653066238 /nfs/dbraw/zinc/06/62/38/653066238.db2.gz NONKVQLQDKMVCI-LBPRGKRZSA-N 2 1 264.417 2.381 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)CC1 ZINC000885927125 653070231 /nfs/dbraw/zinc/07/02/31/653070231.db2.gz NLJOREPORNGYDE-RBSFLKMASA-N 2 1 254.418 2.264 20 0 CEADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC[C@H]3OCC[C@H]31)C2 ZINC001167988590 805572183 /nfs/dbraw/zinc/57/21/83/805572183.db2.gz RIORANBMDVSTEX-PFUJJPPESA-N 2 1 276.424 2.255 20 0 CEADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CC[C@H]3OCC[C@H]31)C2 ZINC001167988590 805572188 /nfs/dbraw/zinc/57/21/88/805572188.db2.gz RIORANBMDVSTEX-PFUJJPPESA-N 2 1 276.424 2.255 20 0 CEADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CC[C@H]3OCC[C@H]31)C2 ZINC001167988590 805572194 /nfs/dbraw/zinc/57/21/94/805572194.db2.gz RIORANBMDVSTEX-PFUJJPPESA-N 2 1 276.424 2.255 20 0 CEADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N1CC[NH+]3CCC[C@@H]3C1)C2 ZINC001167993182 805594230 /nfs/dbraw/zinc/59/42/30/805594230.db2.gz MQEHHXNSDCBHRA-SOABOVLPSA-N 2 1 289.467 2.172 20 0 CEADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC(N1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC001167993182 805594232 /nfs/dbraw/zinc/59/42/32/805594232.db2.gz MQEHHXNSDCBHRA-SOABOVLPSA-N 2 1 289.467 2.172 20 0 CEADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC(N1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC001167993182 805594238 /nfs/dbraw/zinc/59/42/38/805594238.db2.gz MQEHHXNSDCBHRA-SOABOVLPSA-N 2 1 289.467 2.172 20 0 CEADMP COC[C@H]1CCCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000696560470 805644173 /nfs/dbraw/zinc/64/41/73/805644173.db2.gz PEWCCTHSLRCMDZ-LSDHHAIUSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168008583 805676850 /nfs/dbraw/zinc/67/68/50/805676850.db2.gz XMHLXCWECGUSFY-JYYAWHABSA-N 2 1 276.424 2.398 20 0 CEADMP C[C@@H]1C[C@@H](N(C)OCC[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020379 805771711 /nfs/dbraw/zinc/77/17/11/805771711.db2.gz MTVAHZTWTUVFHA-SCAQPMJSSA-N 2 1 291.439 2.250 20 0 CEADMP CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001271566874 805993645 /nfs/dbraw/zinc/99/36/45/805993645.db2.gz SUADKNVKBIVBPU-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001029755634 806064080 /nfs/dbraw/zinc/06/40/80/806064080.db2.gz NKJGYKATQFKTLD-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001029755634 806064087 /nfs/dbraw/zinc/06/40/87/806064087.db2.gz NKJGYKATQFKTLD-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001029755634 806064096 /nfs/dbraw/zinc/06/40/96/806064096.db2.gz NKJGYKATQFKTLD-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001271836737 806111690 /nfs/dbraw/zinc/11/16/90/806111690.db2.gz CUWIQLSTSNASRZ-JKSUJKDBSA-N 2 1 297.487 2.390 20 0 CEADMP CC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001088330239 806121526 /nfs/dbraw/zinc/12/15/26/806121526.db2.gz SUUFZUBJNOOKGW-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001271931120 806144126 /nfs/dbraw/zinc/14/41/26/806144126.db2.gz HVKJSZYZXABJJL-OIISXLGYSA-N 2 1 293.455 2.042 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H]3CCCO[C@@H]3C2)CC1 ZINC001168313445 806646414 /nfs/dbraw/zinc/64/64/14/806646414.db2.gz CZLGYUWFZFDVRB-SLTXQBBLSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCc3ncsc3C2)CC1 ZINC001168326609 806655793 /nfs/dbraw/zinc/65/57/93/806655793.db2.gz CJMPTOGXFCLVBI-UHFFFAOYSA-N 2 1 265.426 2.374 20 0 CEADMP COC(=O)C[C@@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168326630 806655921 /nfs/dbraw/zinc/65/59/21/806655921.db2.gz CREHPMHJJRFKGR-NFOMZHRRSA-N 2 1 282.428 2.134 20 0 CEADMP CC(C)CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168344924 806667501 /nfs/dbraw/zinc/66/75/01/806667501.db2.gz FVLYDVIHLPUJCO-UHFFFAOYSA-N 2 1 297.487 2.249 20 0 CEADMP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1nccs1 ZINC000387504472 806700018 /nfs/dbraw/zinc/70/00/18/806700018.db2.gz LGQKGOHCEUQJGN-YHWZYXNKSA-N 2 1 265.426 2.496 20 0 CEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1nccs1 ZINC000387504472 806700027 /nfs/dbraw/zinc/70/00/27/806700027.db2.gz LGQKGOHCEUQJGN-YHWZYXNKSA-N 2 1 265.426 2.496 20 0 CEADMP FC(F)(F)SCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000159901642 806842320 /nfs/dbraw/zinc/84/23/20/806842320.db2.gz COPHXZGNIPVRGN-UWVGGRQHSA-N 2 1 268.348 2.456 20 0 CEADMP CCCCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001266288165 802383164 /nfs/dbraw/zinc/38/31/64/802383164.db2.gz BBPSPZSAAZONLN-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266288165 802383172 /nfs/dbraw/zinc/38/31/72/802383172.db2.gz BBPSPZSAAZONLN-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266288165 802383179 /nfs/dbraw/zinc/38/31/79/802383179.db2.gz BBPSPZSAAZONLN-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC/C=C\CC[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001208728613 802405005 /nfs/dbraw/zinc/40/50/05/802405005.db2.gz VDAFPJAYIAVQFG-OKQSBHACSA-N 2 1 265.445 2.053 20 0 CEADMP CCCC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001100420593 802495844 /nfs/dbraw/zinc/49/58/44/802495844.db2.gz NXTDPIKLFIJBCP-UYSNPLJNSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)C[C@@H]1C[NH3+] ZINC000721440215 802650038 /nfs/dbraw/zinc/65/00/38/802650038.db2.gz BRKWAEGXZQNOMX-NOOOWODRSA-N 2 1 280.334 2.013 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)C[C@@H]1C[NH3+] ZINC000721440215 802650044 /nfs/dbraw/zinc/65/00/44/802650044.db2.gz BRKWAEGXZQNOMX-NOOOWODRSA-N 2 1 280.334 2.013 20 0 CEADMP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001283051817 802849323 /nfs/dbraw/zinc/84/93/23/802849323.db2.gz FDAARLDORRCDJM-JYJNAYRXSA-N 2 1 295.471 2.001 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000398966122 802928892 /nfs/dbraw/zinc/92/88/92/802928892.db2.gz RBMRDNVMUFLXFN-ILXRZTDVSA-N 3 1 255.450 2.227 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCc2c[nH]c3ccccc23)C[NH2+]1 ZINC000398994798 802932069 /nfs/dbraw/zinc/93/20/69/802932069.db2.gz OKRBVPZWRNFECM-OCCSQVGLSA-N 2 1 257.381 2.441 20 0 CEADMP C[NH+](C)CCCCC(=O)NC[C@H]1CCCC[N@H+]1CC1CC1 ZINC001266857788 802948700 /nfs/dbraw/zinc/94/87/00/802948700.db2.gz OXXSRAAUAIXHPK-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693557777 803080641 /nfs/dbraw/zinc/08/06/41/803080641.db2.gz UCOZAFTXGBADIU-AEJSXWLSSA-N 2 1 250.308 2.387 20 0 CEADMP CC[C@H]([NH3+])CC[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246303534 813766578 /nfs/dbraw/zinc/76/65/78/813766578.db2.gz ABBKNCPBMCCTAQ-KBPBESRZSA-N 3 1 253.434 2.158 20 0 CEADMP CCCCC[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001267296223 803341850 /nfs/dbraw/zinc/34/18/50/803341850.db2.gz JHAHSAKZKZBLNO-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001267296223 803341857 /nfs/dbraw/zinc/34/18/57/803341857.db2.gz JHAHSAKZKZBLNO-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267296223 803341863 /nfs/dbraw/zinc/34/18/63/803341863.db2.gz JHAHSAKZKZBLNO-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CS[C@@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000235219939 803419366 /nfs/dbraw/zinc/41/93/66/803419366.db2.gz WKEWMKBKFGHMJM-QWHCGFSZSA-N 2 1 253.415 2.455 20 0 CEADMP CN(CC[NH2+]CC1CC1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001267408760 803460706 /nfs/dbraw/zinc/46/07/06/803460706.db2.gz MGVOSUUCKLADOY-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCCC[NH3+] ZINC001217884569 803485217 /nfs/dbraw/zinc/48/52/17/803485217.db2.gz QONYDOPVHWXKKT-GDBMZVCRSA-N 2 1 262.397 2.262 20 0 CEADMP CCc1nc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cs1 ZINC000393314602 803555662 /nfs/dbraw/zinc/55/56/62/803555662.db2.gz HMARSFQDPZMMCN-UHFFFAOYSA-N 2 1 275.421 2.497 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC000724923604 803671367 /nfs/dbraw/zinc/67/13/67/803671367.db2.gz FUNZBQJNPMCXQW-KGLIPLIRSA-N 2 1 297.443 2.070 20 0 CEADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCCC(C)(C)C ZINC001267829396 803760674 /nfs/dbraw/zinc/76/06/74/803760674.db2.gz SLODBPLKDLNSAF-LSDHHAIUSA-N 2 1 297.487 2.249 20 0 CEADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCCC(C)(C)C ZINC001267829393 803761173 /nfs/dbraw/zinc/76/11/73/803761173.db2.gz SLODBPLKDLNSAF-CABCVRRESA-N 2 1 297.487 2.249 20 0 CEADMP CCCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267933967 803829166 /nfs/dbraw/zinc/82/91/66/803829166.db2.gz OORHGBRQUOZEIK-JYJNAYRXSA-N 2 1 295.471 2.145 20 0 CEADMP Nc1cccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001222297294 803829400 /nfs/dbraw/zinc/82/94/00/803829400.db2.gz CAWHNPFOHRFWPI-UHFFFAOYSA-N 2 1 259.397 2.377 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNc1cccc(C[NH3+])n1 ZINC001167753732 803840771 /nfs/dbraw/zinc/84/07/71/803840771.db2.gz MIUMGHWYBVDKGS-CYBMUJFWSA-N 2 1 262.401 2.217 20 0 CEADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC001118121997 814985811 /nfs/dbraw/zinc/98/58/11/814985811.db2.gz MORNWIILNTVGJV-QWRGUYRKSA-N 2 1 254.349 2.483 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027408693 804065535 /nfs/dbraw/zinc/06/55/35/804065535.db2.gz WCAVHELTZFOWGR-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027408693 804065545 /nfs/dbraw/zinc/06/55/45/804065545.db2.gz WCAVHELTZFOWGR-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)C(C)C)C1 ZINC001027695483 804199275 /nfs/dbraw/zinc/19/92/75/804199275.db2.gz WKYWLYGFXUSUEU-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)C(C)C)C1 ZINC001027695483 804199280 /nfs/dbraw/zinc/19/92/80/804199280.db2.gz WKYWLYGFXUSUEU-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)C(C)C)C1 ZINC001027695483 804199285 /nfs/dbraw/zinc/19/92/85/804199285.db2.gz WKYWLYGFXUSUEU-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc(OC)cc2)C1 ZINC001118351212 815005967 /nfs/dbraw/zinc/00/59/67/815005967.db2.gz YJSGYSKKXGBOMV-ZDUSSCGKSA-N 2 1 290.411 2.363 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000399271777 804358932 /nfs/dbraw/zinc/35/89/32/804358932.db2.gz UONIJMDBHNOJLZ-NXEZZACHSA-N 2 1 251.201 2.241 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028088539 804444710 /nfs/dbraw/zinc/44/47/10/804444710.db2.gz LADSDXAKRKOPTM-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001028088539 804444714 /nfs/dbraw/zinc/44/47/14/804444714.db2.gz LADSDXAKRKOPTM-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001028088539 804444717 /nfs/dbraw/zinc/44/47/17/804444717.db2.gz LADSDXAKRKOPTM-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001028097862 804454596 /nfs/dbraw/zinc/45/45/96/804454596.db2.gz HGIXANSCIKESDY-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028097862 804454597 /nfs/dbraw/zinc/45/45/97/804454597.db2.gz HGIXANSCIKESDY-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001028097862 804454601 /nfs/dbraw/zinc/45/46/01/804454601.db2.gz HGIXANSCIKESDY-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001268202595 804537537 /nfs/dbraw/zinc/53/75/37/804537537.db2.gz ZJQCUCPMMFWSBL-APPUJDCNSA-N 2 1 295.471 2.264 20 0 CEADMP CC(C)CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001268227845 804556325 /nfs/dbraw/zinc/55/63/25/804556325.db2.gz XTDLKTHMYYKGJS-JKSUJKDBSA-N 2 1 297.487 2.105 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC ZINC001028254011 804622378 /nfs/dbraw/zinc/62/23/78/804622378.db2.gz LDEGRSXFBGRMRR-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268377441 804638975 /nfs/dbraw/zinc/63/89/75/804638975.db2.gz ARDXRNDFODVRTO-GJZGRUSLSA-N 2 1 283.460 2.145 20 0 CEADMP Cc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)nc1 ZINC001139841289 804659859 /nfs/dbraw/zinc/65/98/59/804659859.db2.gz KUPXWIRJHBVKCL-UHFFFAOYSA-N 2 1 282.391 2.416 20 0 CEADMP CN(c1cc(N)[nH+]cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893834355 804683900 /nfs/dbraw/zinc/68/39/00/804683900.db2.gz XLHHEAFYCDUXAO-ZACCUICWSA-N 2 1 280.803 2.379 20 0 CEADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001028334641 804718238 /nfs/dbraw/zinc/71/82/38/804718238.db2.gz FIATWQABCDNNME-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001028334641 804718243 /nfs/dbraw/zinc/71/82/43/804718243.db2.gz FIATWQABCDNNME-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001028334640 804719041 /nfs/dbraw/zinc/71/90/41/804719041.db2.gz FIATWQABCDNNME-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001028334640 804719048 /nfs/dbraw/zinc/71/90/48/804719048.db2.gz FIATWQABCDNNME-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+]1CC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001268482939 804738985 /nfs/dbraw/zinc/73/89/85/804738985.db2.gz BQFZFILUHPCNRH-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CC/C=C/CC[NH+]1CC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001268483491 804740576 /nfs/dbraw/zinc/74/05/76/804740576.db2.gz MMGCLBJINMXFME-XEVLESSRSA-N 2 1 293.455 2.016 20 0 CEADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001284133725 804799714 /nfs/dbraw/zinc/79/97/14/804799714.db2.gz ZTBMSKIIXOTUPL-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+]1CCC(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001225245601 804806381 /nfs/dbraw/zinc/80/63/81/804806381.db2.gz SFSPOQLQEXUJDZ-UHFFFAOYSA-N 2 1 297.487 2.347 20 0 CEADMP CCCCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268699331 804933231 /nfs/dbraw/zinc/93/32/31/804933231.db2.gz KBMSZMOXQJNVFM-GJZGRUSLSA-N 2 1 283.460 2.145 20 0 CEADMP CCCCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001268833515 804983295 /nfs/dbraw/zinc/98/32/95/804983295.db2.gz RLWWSWODRHMZNO-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C(C1CC1)[NH+]1CCC([N@H+]2CCC[C@]3(CCO3)C2)CC1 ZINC001168387394 807041548 /nfs/dbraw/zinc/04/15/48/807041548.db2.gz GWPRUFCQIYMDLX-INIZCTEOSA-N 2 1 264.413 2.116 20 0 CEADMP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+]1CC1CCCC1 ZINC001269331380 805132697 /nfs/dbraw/zinc/13/26/97/805132697.db2.gz JURMXEYZFIQGJO-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@@H]1C ZINC001269675408 805227421 /nfs/dbraw/zinc/22/74/21/805227421.db2.gz AAAYDYWUITXGCL-RDJZCZTQSA-N 2 1 297.487 2.391 20 0 CEADMP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001270083684 805333945 /nfs/dbraw/zinc/33/39/45/805333945.db2.gz QMFINSKVIYXLAZ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)(O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963858 805443914 /nfs/dbraw/zinc/44/39/14/805443914.db2.gz GJXXNWURPURTDY-GOOCMWNKSA-N 2 1 266.429 2.142 20 0 CEADMP C[N@H+]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167964515 805451512 /nfs/dbraw/zinc/45/15/12/805451512.db2.gz RORAYSJYTBYWRM-CSNJMZFVSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167964515 805451518 /nfs/dbraw/zinc/45/15/18/805451518.db2.gz RORAYSJYTBYWRM-CSNJMZFVSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167964515 805451523 /nfs/dbraw/zinc/45/15/23/805451523.db2.gz RORAYSJYTBYWRM-CSNJMZFVSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167964515 805451529 /nfs/dbraw/zinc/45/15/29/805451529.db2.gz RORAYSJYTBYWRM-CSNJMZFVSA-N 3 1 291.483 2.466 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167964515 805451533 /nfs/dbraw/zinc/45/15/33/805451533.db2.gz RORAYSJYTBYWRM-CSNJMZFVSA-N 3 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167964515 805451537 /nfs/dbraw/zinc/45/15/37/805451537.db2.gz RORAYSJYTBYWRM-CSNJMZFVSA-N 3 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167964515 805451542 /nfs/dbraw/zinc/45/15/42/805451542.db2.gz RORAYSJYTBYWRM-CSNJMZFVSA-N 3 1 291.483 2.466 20 0 CEADMP CC(C)([NH3+])C(C)(C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973074 805503801 /nfs/dbraw/zinc/50/38/01/805503801.db2.gz FOZZUFANKJOIIZ-GOOCMWNKSA-N 2 1 279.472 2.497 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001119287555 815083158 /nfs/dbraw/zinc/08/31/58/815083158.db2.gz KEGDCAAYOSBFJL-QDMKHBRRSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCC1CCC1 ZINC001127078123 807008798 /nfs/dbraw/zinc/00/87/98/807008798.db2.gz MJAVXDJHRPRAQG-INIZCTEOSA-N 2 1 295.471 2.145 20 0 CEADMP COC[C@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232144928 807222941 /nfs/dbraw/zinc/22/29/41/807222941.db2.gz OKCLNQLVLPOIAT-ZDUSSCGKSA-N 2 1 280.387 2.356 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CC[C@@H]1O ZINC001232145026 807222997 /nfs/dbraw/zinc/22/29/97/807222997.db2.gz SACXAZALUCPMKJ-WBMJQRKESA-N 2 1 280.387 2.090 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716303901 815111956 /nfs/dbraw/zinc/11/19/56/815111956.db2.gz XHPBRHCXMRYKNL-MELADBBJSA-N 2 1 252.402 2.005 20 0 CEADMP C([C@@H]1CCC2(CCC2)CO1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000716302619 815110633 /nfs/dbraw/zinc/11/06/33/815110633.db2.gz PUWKTSDIKWHALA-HOCLYGCPSA-N 2 1 264.413 2.021 20 0 CEADMP CCC[C@H](C)C[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001272429455 807481295 /nfs/dbraw/zinc/48/12/95/807481295.db2.gz FMWWSKIGSZKTAN-DOTOQJQBSA-N 2 1 295.471 2.051 20 0 CEADMP [NH3+][C@@H]1CCC[N@@H+](CCOCCOCc2ccccc2)CC1 ZINC001205095589 807596986 /nfs/dbraw/zinc/59/69/86/807596986.db2.gz ZUVWSEIOXSUMQO-QGZVFWFLSA-N 2 1 292.423 2.033 20 0 CEADMP Cc1c[nH]nc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000716513126 815134855 /nfs/dbraw/zinc/13/48/55/815134855.db2.gz RWVBVVKCMVLMPS-UHFFFAOYSA-N 2 1 250.390 2.071 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000699187354 807633630 /nfs/dbraw/zinc/63/36/30/807633630.db2.gz JSIVXFAXUTVEOX-NSHDSACASA-N 2 1 268.323 2.159 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000699187354 807633638 /nfs/dbraw/zinc/63/36/38/807633638.db2.gz JSIVXFAXUTVEOX-NSHDSACASA-N 2 1 268.323 2.159 20 0 CEADMP [NH3+][C@H]1CCC[N@H+](Cc2ccnn2-c2ccccc2)CC1 ZINC001205109719 807672330 /nfs/dbraw/zinc/67/23/30/807672330.db2.gz KACCOZJCDDCGAX-AWEZNQCLSA-N 2 1 270.380 2.186 20 0 CEADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)CC1 ZINC001205109719 807672337 /nfs/dbraw/zinc/67/23/37/807672337.db2.gz KACCOZJCDDCGAX-AWEZNQCLSA-N 2 1 270.380 2.186 20 0 CEADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@](C)(C(F)F)O1 ZINC000699311112 807680229 /nfs/dbraw/zinc/68/02/29/807680229.db2.gz JCTCRTGWJWUYCK-ZWOWXGAWSA-N 2 1 288.382 2.262 20 0 CEADMP [NH3+][C@@H]1[C@H]2C[N@@H+](CCc3ccc(Cl)cc3Cl)C[C@H]21 ZINC001235211677 807796345 /nfs/dbraw/zinc/79/63/45/807796345.db2.gz ZOJFWSHLWDPUSR-PJXYFTJBSA-N 2 1 271.191 2.425 20 0 CEADMP [NH3+][C@@H]1[C@H]2C[N@H+](CCc3ccc(Cl)cc3Cl)C[C@H]21 ZINC001235211677 807796348 /nfs/dbraw/zinc/79/63/48/807796348.db2.gz ZOJFWSHLWDPUSR-PJXYFTJBSA-N 2 1 271.191 2.425 20 0 CEADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(C)c1F ZINC001235935761 807895634 /nfs/dbraw/zinc/89/56/34/807895634.db2.gz FBNSFQAEWPDSHX-LSDHHAIUSA-N 2 1 262.372 2.484 20 0 CEADMP CC[NH+]1CCC(CC2CC[NH+](C[C@@H](C)[NH3+])CC2)CC1 ZINC001236193315 808009920 /nfs/dbraw/zinc/00/99/20/808009920.db2.gz JRSZCVXIESKJIT-CQSZACIVSA-N 3 1 267.461 2.168 20 0 CEADMP C[N@H+](Cc1ccc(N)c(F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216027 808018678 /nfs/dbraw/zinc/01/86/78/808018678.db2.gz JPOVBUBMESMZBV-UONOGXRCSA-N 2 1 251.349 2.110 20 0 CEADMP C[N@@H+](Cc1ccc(N)c(F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216027 808018680 /nfs/dbraw/zinc/01/86/80/808018680.db2.gz JPOVBUBMESMZBV-UONOGXRCSA-N 2 1 251.349 2.110 20 0 CEADMP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089657970 808090857 /nfs/dbraw/zinc/09/08/57/808090857.db2.gz GPQUKOBXDGBZRG-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089657970 808090864 /nfs/dbraw/zinc/09/08/64/808090864.db2.gz GPQUKOBXDGBZRG-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089657970 808090871 /nfs/dbraw/zinc/09/08/71/808090871.db2.gz GPQUKOBXDGBZRG-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001089657970 808090878 /nfs/dbraw/zinc/09/08/78/808090878.db2.gz GPQUKOBXDGBZRG-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032027726 808252980 /nfs/dbraw/zinc/25/29/80/808252980.db2.gz YIHDOWFKBYDRBP-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@](F)(CO)C2)CC1(C)C ZINC001171631748 815201967 /nfs/dbraw/zinc/20/19/67/815201967.db2.gz NEBFRJRMPIVNNE-HNNXBMFYSA-N 2 1 272.408 2.044 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@](F)(CO)C2)CC1(C)C ZINC001171631748 815201970 /nfs/dbraw/zinc/20/19/70/815201970.db2.gz NEBFRJRMPIVNNE-HNNXBMFYSA-N 2 1 272.408 2.044 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3ccc(Cl)cc3C2)C1 ZINC001120263786 815209077 /nfs/dbraw/zinc/20/90/77/815209077.db2.gz VKMQJCCMDZXTBP-WJONMLJTSA-N 2 1 250.773 2.435 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@](C)(O)C2)CC1(C)C ZINC001171639821 815214193 /nfs/dbraw/zinc/21/41/93/815214193.db2.gz VHZDRTPZXHJEAC-MRXNPFEDSA-N 2 1 268.445 2.485 20 0 CEADMP COC(=O)CC[N@@H+](C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641421 815214743 /nfs/dbraw/zinc/21/47/43/815214743.db2.gz GWEOPIMWOQXQLH-UHFFFAOYSA-N 2 1 270.417 2.133 20 0 CEADMP CN1CC2(C1)CC[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171642255 815214942 /nfs/dbraw/zinc/21/49/42/815214942.db2.gz HZYZLWBMRBHEPS-UHFFFAOYSA-N 2 1 279.472 2.275 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccccc1 ZINC001171725209 815218111 /nfs/dbraw/zinc/21/81/11/815218111.db2.gz IVTYNSXNPCOBGO-UHFFFAOYSA-N 2 1 291.439 2.014 20 0 CEADMP C[C@@H]1C[C@H](n2ccc(C[NH3+])cc2=N)C[N@H+]1Cc1ccccc1 ZINC001171725857 815218427 /nfs/dbraw/zinc/21/84/27/815218427.db2.gz OHHVEXSCENBVKE-PBHICJAKSA-N 2 1 296.418 2.262 20 0 CEADMP C[C@@H]1C[C@@H](n2ccc(CC[NH3+])n2)C[N@H+]1Cc1ccccc1 ZINC001171724769 815218560 /nfs/dbraw/zinc/21/85/60/815218560.db2.gz AMDYAQVRVGNKPE-RHSMWYFYSA-N 2 1 284.407 2.220 20 0 CEADMP C[C@@H]1C[C@@H](n2ccnc2C(N)=[NH2+])C[N@H+]1Cc1ccccc1 ZINC001171729438 815219675 /nfs/dbraw/zinc/21/96/75/815219675.db2.gz UKABNYJJKCRXSP-TZMCWYRMSA-N 2 1 283.379 2.003 20 0 CEADMP C[C@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC001171758906 815224974 /nfs/dbraw/zinc/22/49/74/815224974.db2.gz CMCRBHXYKFZTBB-OWLYRPNTSA-N 2 1 285.435 2.038 20 0 CEADMP C[C@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171758906 815224979 /nfs/dbraw/zinc/22/49/79/815224979.db2.gz CMCRBHXYKFZTBB-OWLYRPNTSA-N 2 1 285.435 2.038 20 0 CEADMP C[C@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171758906 815224983 /nfs/dbraw/zinc/22/49/83/815224983.db2.gz CMCRBHXYKFZTBB-OWLYRPNTSA-N 2 1 285.435 2.038 20 0 CEADMP C[N@@H+]([C@@H]1Cc2cccc(F)c2C1)C1CCC([NH3+])CC1 ZINC001171777442 815232125 /nfs/dbraw/zinc/23/21/25/815232125.db2.gz PDEVIZYBXFVNAX-JXQTWKCFSA-N 2 1 262.372 2.495 20 0 CEADMP CO[C@H]1C[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C12CCC2 ZINC000453254752 809045423 /nfs/dbraw/zinc/04/54/23/809045423.db2.gz PREOFTVHJVCHMZ-MJBXVCDLSA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@H]1C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C12CCC2 ZINC000453254752 809045429 /nfs/dbraw/zinc/04/54/29/809045429.db2.gz PREOFTVHJVCHMZ-MJBXVCDLSA-N 2 1 254.418 2.262 20 0 CEADMP [NH3+]C1CCN(c2nc(NC(C3CC3)C3CC3)cc[nH+]2)CC1 ZINC001168742912 809219307 /nfs/dbraw/zinc/21/93/07/809219307.db2.gz RZZPCLMFULEZGH-UHFFFAOYSA-N 2 1 287.411 2.005 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCC[NH+]1CCCCC1)C2 ZINC001172101235 815281442 /nfs/dbraw/zinc/28/14/42/815281442.db2.gz XKMKRLGFNSTNSW-MUJYYYPQSA-N 2 1 265.445 2.077 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cncc(Br)c2)C1 ZINC000700638753 809335008 /nfs/dbraw/zinc/33/50/08/809335008.db2.gz DCUWXHQDZKTLDE-SNVBAGLBSA-N 2 1 284.201 2.015 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C12CCC2 ZINC000700790886 809348387 /nfs/dbraw/zinc/34/83/87/809348387.db2.gz HGZYLLYRENMPCY-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)c1cnc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)o1 ZINC000700796033 809350545 /nfs/dbraw/zinc/35/05/45/809350545.db2.gz XBBVOJAPHXTISX-LBPRGKRZSA-N 2 1 251.374 2.359 20 0 CEADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cs1 ZINC000700813373 809357860 /nfs/dbraw/zinc/35/78/60/809357860.db2.gz OINRTTADAXZZQE-GFCCVEGCSA-N 2 1 296.436 2.356 20 0 CEADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cs1 ZINC000700813373 809357865 /nfs/dbraw/zinc/35/78/65/809357865.db2.gz OINRTTADAXZZQE-GFCCVEGCSA-N 2 1 296.436 2.356 20 0 CEADMP [NH3+][C@H]1CC[N@H+](CCc2cc(F)cc(F)c2)CC[C@H]1F ZINC001206156344 815283108 /nfs/dbraw/zinc/28/31/08/815283108.db2.gz QGFREAQKCXYGJM-KGLIPLIRSA-N 2 1 272.314 2.269 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](CCc2cc(F)cc(F)c2)CC[C@H]1F ZINC001206156344 815283111 /nfs/dbraw/zinc/28/31/11/815283111.db2.gz QGFREAQKCXYGJM-KGLIPLIRSA-N 2 1 272.314 2.269 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H](O)c1ccccc1)C2 ZINC001172100908 815284891 /nfs/dbraw/zinc/28/48/91/815284891.db2.gz UXQJIYFHZUBSGT-NXOAAHMSSA-N 2 1 274.408 2.325 20 0 CEADMP COC(=O)C[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127339 815287068 /nfs/dbraw/zinc/28/70/68/815287068.db2.gz IHQBPSSQFLNSDZ-XGUBFFRZSA-N 2 1 280.412 2.029 20 0 CEADMP COC(=O)C[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127339 815287073 /nfs/dbraw/zinc/28/70/73/815287073.db2.gz IHQBPSSQFLNSDZ-XGUBFFRZSA-N 2 1 280.412 2.029 20 0 CEADMP COC(=O)C[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127339 815287078 /nfs/dbraw/zinc/28/70/78/815287078.db2.gz IHQBPSSQFLNSDZ-XGUBFFRZSA-N 2 1 280.412 2.029 20 0 CEADMP COC(=O)C[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127339 815287083 /nfs/dbraw/zinc/28/70/83/815287083.db2.gz IHQBPSSQFLNSDZ-XGUBFFRZSA-N 2 1 280.412 2.029 20 0 CEADMP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001005416187 809438927 /nfs/dbraw/zinc/43/89/27/809438927.db2.gz PCJRHCONLCCCPA-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000701856108 809471966 /nfs/dbraw/zinc/47/19/66/809471966.db2.gz NIHFFCCIZCLGDH-MCIONIFRSA-N 2 1 299.459 2.314 20 0 CEADMP C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000701856108 809471967 /nfs/dbraw/zinc/47/19/67/809471967.db2.gz NIHFFCCIZCLGDH-MCIONIFRSA-N 2 1 299.459 2.314 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H]1CCC3(CCCC3)O1)C2 ZINC000702049809 809490127 /nfs/dbraw/zinc/49/01/27/809490127.db2.gz SFMIXRMQLXJTHD-RRFJBIMHSA-N 2 1 264.413 2.020 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172104277 815294414 /nfs/dbraw/zinc/29/44/14/815294414.db2.gz BUIKMNTZRCADHS-LVQVYYBASA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104277 815294419 /nfs/dbraw/zinc/29/44/19/815294419.db2.gz BUIKMNTZRCADHS-LVQVYYBASA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104277 815294428 /nfs/dbraw/zinc/29/44/28/815294428.db2.gz BUIKMNTZRCADHS-LVQVYYBASA-N 2 1 265.445 2.076 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(CO)cc1)C2 ZINC001172101955 815294578 /nfs/dbraw/zinc/29/45/78/815294578.db2.gz IKXJAEVSQKQIEE-BJWYYQGGSA-N 2 1 274.408 2.284 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(O)(C(F)(F)F)C1)C2 ZINC001172108392 815297437 /nfs/dbraw/zinc/29/74/37/815297437.db2.gz WBRUFABGEIQULO-VGAXJBCESA-N 2 1 292.345 2.047 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC(O)(C(F)(F)F)C1)C2 ZINC001172108392 815297442 /nfs/dbraw/zinc/29/74/42/815297442.db2.gz WBRUFABGEIQULO-VGAXJBCESA-N 2 1 292.345 2.047 20 0 CEADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc(C)c1O ZINC000702415864 809551811 /nfs/dbraw/zinc/55/18/11/809551811.db2.gz KRZSTYQQJRLXQT-WBVHZDCISA-N 2 1 274.408 2.393 20 0 CEADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc(C)c1O ZINC000702415864 809551815 /nfs/dbraw/zinc/55/18/15/809551815.db2.gz KRZSTYQQJRLXQT-WBVHZDCISA-N 2 1 274.408 2.393 20 0 CEADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc(C)c1O ZINC000702415864 809551820 /nfs/dbraw/zinc/55/18/20/809551820.db2.gz KRZSTYQQJRLXQT-WBVHZDCISA-N 2 1 274.408 2.393 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc(C)c1O ZINC000702415864 809551825 /nfs/dbraw/zinc/55/18/25/809551825.db2.gz KRZSTYQQJRLXQT-WBVHZDCISA-N 2 1 274.408 2.393 20 0 CEADMP CCOC(=O)CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172108570 815299050 /nfs/dbraw/zinc/29/90/50/815299050.db2.gz BRLYYKDLXLROJG-BTTYYORXSA-N 2 1 280.412 2.077 20 0 CEADMP CCOC(=O)CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172108570 815299056 /nfs/dbraw/zinc/29/90/56/815299056.db2.gz BRLYYKDLXLROJG-BTTYYORXSA-N 2 1 280.412 2.077 20 0 CEADMP COC[C@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172109344 815299221 /nfs/dbraw/zinc/29/92/21/815299221.db2.gz CQMHNXNMUCXCQJ-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172109344 815299223 /nfs/dbraw/zinc/29/92/23/815299223.db2.gz CQMHNXNMUCXCQJ-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172109344 815299226 /nfs/dbraw/zinc/29/92/26/815299226.db2.gz CQMHNXNMUCXCQJ-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172109344 815299230 /nfs/dbraw/zinc/29/92/30/815299230.db2.gz CQMHNXNMUCXCQJ-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172109344 815299235 /nfs/dbraw/zinc/29/92/35/815299235.db2.gz CQMHNXNMUCXCQJ-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3c(c1)CC(=O)N3)C2 ZINC001172111555 815299857 /nfs/dbraw/zinc/29/98/57/815299857.db2.gz VIQOYMMKMAGIHM-PHZGNYQRSA-N 2 1 299.418 2.286 20 0 CEADMP CCC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034397833 809600249 /nfs/dbraw/zinc/60/02/49/809600249.db2.gz LUSZTSLEJCRMJK-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034397833 809600251 /nfs/dbraw/zinc/60/02/51/809600251.db2.gz LUSZTSLEJCRMJK-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034397833 809600254 /nfs/dbraw/zinc/60/02/54/809600254.db2.gz LUSZTSLEJCRMJK-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528512 809625379 /nfs/dbraw/zinc/62/53/79/809625379.db2.gz OLWDWWKWNOXVPR-MRXNPFEDSA-N 2 1 293.455 2.019 20 0 CEADMP COC(=O)CC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172117491 815305519 /nfs/dbraw/zinc/30/55/19/815305519.db2.gz JSHVYHHWZQZMOU-ZSHCYNCHSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)CC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172117491 815305526 /nfs/dbraw/zinc/30/55/26/815305526.db2.gz JSHVYHHWZQZMOU-ZSHCYNCHSA-N 2 1 294.439 2.277 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccnc(F)c1)C2 ZINC001172118802 815305604 /nfs/dbraw/zinc/30/56/04/815305604.db2.gz SXKHJCQPKVMVMM-BTTYYORXSA-N 2 1 263.360 2.326 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@](C)(CO)c1ccccc1)C2 ZINC001172119404 815308771 /nfs/dbraw/zinc/30/87/71/815308771.db2.gz ZNDPOHLMMQHGKY-MHORFTMASA-N 2 1 288.435 2.499 20 0 CEADMP CC(C)[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001034796829 809696751 /nfs/dbraw/zinc/69/67/51/809696751.db2.gz PDORKLQAULBJMI-LDKKBFSKSA-N 2 1 295.471 2.285 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]C(C)C)C1 ZINC001035022485 809735023 /nfs/dbraw/zinc/73/50/23/809735023.db2.gz FOTWIOCOOQNHCN-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H](C)[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121652 815312647 /nfs/dbraw/zinc/31/26/47/815312647.db2.gz RUVRXXCUVBSITM-SUJAAXHWSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H](C)[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121652 815312651 /nfs/dbraw/zinc/31/26/51/815312651.db2.gz RUVRXXCUVBSITM-SUJAAXHWSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H](C)[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172121652 815312656 /nfs/dbraw/zinc/31/26/56/815312656.db2.gz RUVRXXCUVBSITM-SUJAAXHWSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H](C)[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121652 815312663 /nfs/dbraw/zinc/31/26/63/815312663.db2.gz RUVRXXCUVBSITM-SUJAAXHWSA-N 2 1 294.439 2.275 20 0 CEADMP c1cc2c(nc[nH+]c2N[C@@H]2CC[NH2+]C3(CCC3)C2)[nH]1 ZINC000705212946 809773506 /nfs/dbraw/zinc/77/35/06/809773506.db2.gz QZGRGVWCLYNSSN-SNVBAGLBSA-N 2 1 257.341 2.045 20 0 CEADMP c1csc([C@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000710445231 809988416 /nfs/dbraw/zinc/98/84/16/809988416.db2.gz UJYMXOAPADNMIO-ZDUSSCGKSA-N 2 1 265.426 2.322 20 0 CEADMP COCC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)CC(C)C ZINC000710897641 809999398 /nfs/dbraw/zinc/99/93/98/809999398.db2.gz HGZRKUVADJKULL-UHFFFAOYSA-N 2 1 282.453 2.498 20 0 CEADMP C([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000711091440 810013943 /nfs/dbraw/zinc/01/39/43/810013943.db2.gz UPLWIVSOADJJHO-LYYZXLFJSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000711091440 810013947 /nfs/dbraw/zinc/01/39/47/810013947.db2.gz UPLWIVSOADJJHO-LYYZXLFJSA-N 2 1 264.413 2.018 20 0 CEADMP CCN1CCC([N@@H+](C)C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172230303 815343184 /nfs/dbraw/zinc/34/31/84/815343184.db2.gz UIXJKEQXZVSWBC-GOOCMWNKSA-N 2 1 252.402 2.113 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172230303 815343190 /nfs/dbraw/zinc/34/31/90/815343190.db2.gz UIXJKEQXZVSWBC-GOOCMWNKSA-N 2 1 252.402 2.113 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172230303 815343196 /nfs/dbraw/zinc/34/31/96/815343196.db2.gz UIXJKEQXZVSWBC-GOOCMWNKSA-N 2 1 252.402 2.113 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)C1CCCCC1 ZINC000923371651 810089378 /nfs/dbraw/zinc/08/93/78/810089378.db2.gz CVZUJXAQWSRSRI-MSOLQXFVSA-N 2 1 290.451 2.477 20 0 CEADMP NC[C@H]1Cc2ccccc2C[N@@H+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172221952 815339479 /nfs/dbraw/zinc/33/94/79/815339479.db2.gz CSWABXCAAFUMCF-IFFAKLHKSA-N 2 1 272.392 2.082 20 0 CEADMP NC[C@H]1Cc2ccccc2C[N@H+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172221952 815339486 /nfs/dbraw/zinc/33/94/86/815339486.db2.gz CSWABXCAAFUMCF-IFFAKLHKSA-N 2 1 272.392 2.082 20 0 CEADMP C1CCC([N@@H+]2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)O4)C2)C1 ZINC001172223602 815340502 /nfs/dbraw/zinc/34/05/02/815340502.db2.gz SCMRMPQGNASAKG-WPXLMEDKSA-N 2 1 264.413 2.303 20 0 CEADMP C1CCC([N@H+]2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)O4)C2)C1 ZINC001172223602 815340508 /nfs/dbraw/zinc/34/05/08/815340508.db2.gz SCMRMPQGNASAKG-WPXLMEDKSA-N 2 1 264.413 2.303 20 0 CEADMP CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001080557106 810292974 /nfs/dbraw/zinc/29/29/74/810292974.db2.gz FXZVSJZDTULCCP-BZUAXINKSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001080557106 810292980 /nfs/dbraw/zinc/29/29/80/810292980.db2.gz FXZVSJZDTULCCP-BZUAXINKSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001080557106 810292988 /nfs/dbraw/zinc/29/29/88/810292988.db2.gz FXZVSJZDTULCCP-BZUAXINKSA-N 2 1 295.471 2.096 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2C[C@@H](C)C[C@H]2CF)CC1 ZINC001172253005 815360773 /nfs/dbraw/zinc/36/07/73/815360773.db2.gz YQEZFWQAYTYNDN-ZFWWWQNUSA-N 2 1 272.408 2.167 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2C[C@@H](C)C[C@H]2CF)CC1 ZINC001172253005 815360779 /nfs/dbraw/zinc/36/07/79/815360779.db2.gz YQEZFWQAYTYNDN-ZFWWWQNUSA-N 2 1 272.408 2.167 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC)C1 ZINC001015976513 810380682 /nfs/dbraw/zinc/38/06/82/810380682.db2.gz NAUBDBPEFFTFIP-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC001015976513 810380684 /nfs/dbraw/zinc/38/06/84/810380684.db2.gz NAUBDBPEFFTFIP-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC001015976513 810380688 /nfs/dbraw/zinc/38/06/88/810380688.db2.gz NAUBDBPEFFTFIP-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001017736758 810547197 /nfs/dbraw/zinc/54/71/97/810547197.db2.gz ZQQFIRZHZQWEHA-IYBDPMFKSA-N 2 1 298.390 2.033 20 0 CEADMP COC[C@@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)C(C)C ZINC000721765619 810835528 /nfs/dbraw/zinc/83/55/28/810835528.db2.gz ADQUTGAVLPEUML-CQSZACIVSA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001085589607 810846561 /nfs/dbraw/zinc/84/65/61/810846561.db2.gz PMXNIUSIVKQWPP-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085589607 810846571 /nfs/dbraw/zinc/84/65/71/810846571.db2.gz PMXNIUSIVKQWPP-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085589607 810846581 /nfs/dbraw/zinc/84/65/81/810846581.db2.gz PMXNIUSIVKQWPP-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC(C)C ZINC001085628742 810856668 /nfs/dbraw/zinc/85/66/68/810856668.db2.gz DXNVUDXMYAKCBZ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(C)C ZINC001085628742 810856674 /nfs/dbraw/zinc/85/66/74/810856674.db2.gz DXNVUDXMYAKCBZ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC(C)C ZINC001085628742 810856680 /nfs/dbraw/zinc/85/66/80/810856680.db2.gz DXNVUDXMYAKCBZ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CC[C@H](C2CC2)O1 ZINC000722322178 810920142 /nfs/dbraw/zinc/92/01/42/810920142.db2.gz PWQLUBYOVKALFV-HZPDHXFCSA-N 2 1 264.413 2.160 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC ZINC001038901879 810941045 /nfs/dbraw/zinc/94/10/45/810941045.db2.gz AQZVUXBQHVLPEQ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC ZINC001038901879 810941050 /nfs/dbraw/zinc/94/10/50/810941050.db2.gz AQZVUXBQHVLPEQ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC ZINC001038901879 810941056 /nfs/dbraw/zinc/94/10/56/810941056.db2.gz AQZVUXBQHVLPEQ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC ZINC001085918575 810968288 /nfs/dbraw/zinc/96/82/88/810968288.db2.gz HYDTZVMGDFKVIH-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC ZINC001085918575 810968294 /nfs/dbraw/zinc/96/82/94/810968294.db2.gz HYDTZVMGDFKVIH-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC=C(C)C ZINC001039046678 810974775 /nfs/dbraw/zinc/97/47/75/810974775.db2.gz AVVWSIZJWUXOJH-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC=C(C)C ZINC001039046678 810974781 /nfs/dbraw/zinc/97/47/81/810974781.db2.gz AVVWSIZJWUXOJH-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC=C(C)C ZINC001039046678 810974787 /nfs/dbraw/zinc/97/47/87/810974787.db2.gz AVVWSIZJWUXOJH-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC=C(C)C ZINC001039046678 810974792 /nfs/dbraw/zinc/97/47/92/810974792.db2.gz AVVWSIZJWUXOJH-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP COC(=O)C1(C)CCC(n2cc[nH+]c2CCC[NH3+])CC1 ZINC001168772979 811023158 /nfs/dbraw/zinc/02/31/58/811023158.db2.gz RQHQNLBFJWKCFW-UHFFFAOYSA-N 2 1 279.384 2.069 20 0 CEADMP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226844 811023512 /nfs/dbraw/zinc/02/35/12/811023512.db2.gz OPSAVDDRCCDUNQ-JKSUJKDBSA-N 2 1 295.471 2.264 20 0 CEADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226844 811023517 /nfs/dbraw/zinc/02/35/17/811023517.db2.gz OPSAVDDRCCDUNQ-JKSUJKDBSA-N 2 1 295.471 2.264 20 0 CEADMP CC[NH+](CC=C(C)C)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226844 811023523 /nfs/dbraw/zinc/02/35/23/811023523.db2.gz OPSAVDDRCCDUNQ-JKSUJKDBSA-N 2 1 295.471 2.264 20 0 CEADMP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155237883 811024346 /nfs/dbraw/zinc/02/43/46/811024346.db2.gz OLCRHPJAIDZLCI-JKSUJKDBSA-N 2 1 297.487 2.201 20 0 CEADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155237883 811024352 /nfs/dbraw/zinc/02/43/52/811024352.db2.gz OLCRHPJAIDZLCI-JKSUJKDBSA-N 2 1 297.487 2.201 20 0 CEADMP CC[NH+](CCC(C)C)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155237883 811024356 /nfs/dbraw/zinc/02/43/56/811024356.db2.gz OLCRHPJAIDZLCI-JKSUJKDBSA-N 2 1 297.487 2.201 20 0 CEADMP CC/C=C/CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129326963 811049456 /nfs/dbraw/zinc/04/94/56/811049456.db2.gz DBXQDYUPWNOTBC-SQRWCISFSA-N 2 1 295.471 2.026 20 0 CEADMP CCOCC[C@@H](C)[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001172424826 815417798 /nfs/dbraw/zinc/41/77/98/815417798.db2.gz AZCJFFUDTVQMQX-NVXWUHKLSA-N 2 1 298.471 2.377 20 0 CEADMP CCOCC[C@@H](C)[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001172424826 815417803 /nfs/dbraw/zinc/41/78/03/815417803.db2.gz AZCJFFUDTVQMQX-NVXWUHKLSA-N 2 1 298.471 2.377 20 0 CEADMP CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2)[NH+](C)C ZINC001040260981 811099985 /nfs/dbraw/zinc/09/99/85/811099985.db2.gz JXYUNIPLIATZJW-WBVHZDCISA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000382038048 811179576 /nfs/dbraw/zinc/17/95/76/811179576.db2.gz HDEWWWMOXQILBE-OPIBAUODSA-N 2 1 299.462 2.093 20 0 CEADMP Cc1cccn2c(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)cnc12 ZINC001169094977 811365571 /nfs/dbraw/zinc/36/55/71/811365571.db2.gz OHLMWGFXVOMTET-QDMKHBRRSA-N 2 1 284.407 2.358 20 0 CEADMP Cc1cccn2c(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cnc12 ZINC001169094977 811365582 /nfs/dbraw/zinc/36/55/82/811365582.db2.gz OHLMWGFXVOMTET-QDMKHBRRSA-N 2 1 284.407 2.358 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169099561 811369532 /nfs/dbraw/zinc/36/95/32/811369532.db2.gz BONBYGYSCDLNRN-PXEOUSFJSA-N 3 1 265.445 2.074 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C2 ZINC001169099561 811369539 /nfs/dbraw/zinc/36/95/39/811369539.db2.gz BONBYGYSCDLNRN-PXEOUSFJSA-N 2 1 265.445 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC1CC[NH+](C3CCC3)CC1)C2 ZINC001169100716 811373955 /nfs/dbraw/zinc/37/39/55/811373955.db2.gz LQFFFQCGPJWZDQ-XGBSXSJOSA-N 2 1 277.456 2.218 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169092130 811382828 /nfs/dbraw/zinc/38/28/28/811382828.db2.gz YCODIFXITHVYJT-LUKYLMHMSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H]1CCCC[NH+]1CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169092130 811382838 /nfs/dbraw/zinc/38/28/38/811382838.db2.gz YCODIFXITHVYJT-LUKYLMHMSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H]1CCCC[NH+]1CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169092130 811382846 /nfs/dbraw/zinc/38/28/46/811382846.db2.gz YCODIFXITHVYJT-LUKYLMHMSA-N 2 1 279.472 2.466 20 0 CEADMP CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169119322 811387783 /nfs/dbraw/zinc/38/77/83/811387783.db2.gz REEDKIJXEKMREQ-WFLNUHJHSA-N 2 1 293.455 2.039 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc3nccnc13)C2 ZINC001169125218 811393163 /nfs/dbraw/zinc/39/31/63/811393163.db2.gz WLFDRPJWWAEXDV-QDMKHBRRSA-N 2 1 282.391 2.345 20 0 CEADMP Cc1ccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169123646 811393555 /nfs/dbraw/zinc/39/35/55/811393555.db2.gz LUQMVIWAAAQIQP-YYIAUSFCSA-N 2 1 274.408 2.243 20 0 CEADMP Cc1ccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169123646 811393564 /nfs/dbraw/zinc/39/35/64/811393564.db2.gz LUQMVIWAAAQIQP-YYIAUSFCSA-N 2 1 274.408 2.243 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc3ccc(C[NH3+])cc3n1)C2 ZINC001169108336 811403668 /nfs/dbraw/zinc/40/36/68/811403668.db2.gz RLGHEBPVTYAOOT-QDMKHBRRSA-N 2 1 270.380 2.293 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(CC[NH3+])CC1)C2 ZINC001169111929 811405431 /nfs/dbraw/zinc/40/54/31/811405431.db2.gz QZXUPBVUYJBEFO-VXSNREPFSA-N 3 1 265.445 2.109 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(CC[NH3+])CC1)C2 ZINC001169111929 811405434 /nfs/dbraw/zinc/40/54/34/811405434.db2.gz QZXUPBVUYJBEFO-VXSNREPFSA-N 2 1 265.445 2.109 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@](C)(CO)c1ccccc1)C2 ZINC001169114903 811405563 /nfs/dbraw/zinc/40/55/63/811405563.db2.gz ZMUNIUCAPPFHGK-WCXIOVBPSA-N 2 1 274.408 2.109 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@](C)(CO)c1ccccc1)C2 ZINC001169114903 811405566 /nfs/dbraw/zinc/40/55/66/811405566.db2.gz ZMUNIUCAPPFHGK-WCXIOVBPSA-N 2 1 274.408 2.109 20 0 CEADMP Cc1ccccc1C[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169114760 811406380 /nfs/dbraw/zinc/40/63/80/811406380.db2.gz YCXXIDPFXWYCTJ-FJIDUMEYSA-N 2 1 288.435 2.113 20 0 CEADMP CCC(CC)[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169111942 811406905 /nfs/dbraw/zinc/40/69/05/811406905.db2.gz REKLGXVALJTEOG-NXNVCVFFSA-N 2 1 279.472 2.464 20 0 CEADMP CCC(CC)[NH+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169111942 811406908 /nfs/dbraw/zinc/40/69/08/811406908.db2.gz REKLGXVALJTEOG-NXNVCVFFSA-N 2 1 279.472 2.464 20 0 CEADMP CCC(CC)[NH+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169111942 811406913 /nfs/dbraw/zinc/40/69/13/811406913.db2.gz REKLGXVALJTEOG-NXNVCVFFSA-N 2 1 279.472 2.464 20 0 CEADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169152747 811414592 /nfs/dbraw/zinc/41/45/92/811414592.db2.gz DVJZTFUAIDUZDJ-XMIILUCRSA-N 2 1 264.413 2.253 20 0 CEADMP COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169152747 811414597 /nfs/dbraw/zinc/41/45/97/811414597.db2.gz DVJZTFUAIDUZDJ-XMIILUCRSA-N 2 1 264.413 2.253 20 0 CEADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169152747 811414599 /nfs/dbraw/zinc/41/45/99/811414599.db2.gz DVJZTFUAIDUZDJ-XMIILUCRSA-N 2 1 264.413 2.253 20 0 CEADMP COC1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169152747 811414604 /nfs/dbraw/zinc/41/46/04/811414604.db2.gz DVJZTFUAIDUZDJ-XMIILUCRSA-N 2 1 264.413 2.253 20 0 CEADMP COC1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169152747 811414609 /nfs/dbraw/zinc/41/46/09/811414609.db2.gz DVJZTFUAIDUZDJ-XMIILUCRSA-N 2 1 264.413 2.253 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]([NH+]3CCCC3)[C@@H](F)C1)C2 ZINC001169161157 811420173 /nfs/dbraw/zinc/42/01/73/811420173.db2.gz OYUXTOWGXMTTKI-BIVLZKPYSA-N 2 1 295.446 2.120 20 0 CEADMP CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001044006063 811426820 /nfs/dbraw/zinc/42/68/20/811426820.db2.gz LGBCTRYVUWJPOA-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001044006063 811426825 /nfs/dbraw/zinc/42/68/25/811426825.db2.gz LGBCTRYVUWJPOA-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP Cc1ccc(-n2ccc(C[NH3+])c2)c(C[NH+]2CCOCC2)c1 ZINC001169725234 811627202 /nfs/dbraw/zinc/62/72/02/811627202.db2.gz ASKHSJNMMVOBKE-UHFFFAOYSA-N 2 1 285.391 2.077 20 0 CEADMP Cn1ccc2c[nH+]c(NC(C)(C)CC[NH+](C)C)nc21 ZINC001169711216 811637533 /nfs/dbraw/zinc/63/75/33/811637533.db2.gz GBEJEBSWSUMPMO-UHFFFAOYSA-N 2 1 261.373 2.111 20 0 CEADMP Cc1c(F)cccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206165546 815464800 /nfs/dbraw/zinc/46/48/00/815464800.db2.gz NZSMCFWJWUKUJW-KBPBESRZSA-N 2 1 254.324 2.395 20 0 CEADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169797288 811665369 /nfs/dbraw/zinc/66/53/69/811665369.db2.gz CWDWXMLFGMTIHH-HUUCEWRRSA-N 2 1 283.460 2.001 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046198049 811705688 /nfs/dbraw/zinc/70/56/88/811705688.db2.gz SOEMZIRBXGJLOA-NVXWUHKLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046198049 811705693 /nfs/dbraw/zinc/70/56/93/811705693.db2.gz SOEMZIRBXGJLOA-NVXWUHKLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046198049 811705696 /nfs/dbraw/zinc/70/56/96/811705696.db2.gz SOEMZIRBXGJLOA-NVXWUHKLSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046554365 811772755 /nfs/dbraw/zinc/77/27/55/811772755.db2.gz PECANYAIAXQVHT-RDJZCZTQSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046554365 811772761 /nfs/dbraw/zinc/77/27/61/811772761.db2.gz PECANYAIAXQVHT-RDJZCZTQSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046554365 811772765 /nfs/dbraw/zinc/77/27/65/811772765.db2.gz PECANYAIAXQVHT-RDJZCZTQSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046554365 811772770 /nfs/dbraw/zinc/77/27/70/811772770.db2.gz PECANYAIAXQVHT-RDJZCZTQSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[NH+](C(C)C)C2)C1 ZINC001046562378 811775411 /nfs/dbraw/zinc/77/54/11/811775411.db2.gz MWWLIHUKVIJMAW-WBVHZDCISA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](C(C)C)C2)C1 ZINC001046562378 811775418 /nfs/dbraw/zinc/77/54/18/811775418.db2.gz MWWLIHUKVIJMAW-WBVHZDCISA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[N@H+](C(C)C)C2)C1 ZINC001046562378 811775424 /nfs/dbraw/zinc/77/54/24/811775424.db2.gz MWWLIHUKVIJMAW-WBVHZDCISA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046569797 811778028 /nfs/dbraw/zinc/77/80/28/811778028.db2.gz OBLRAGOLBFDCFF-YQQAZPJKSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046569797 811778032 /nfs/dbraw/zinc/77/80/32/811778032.db2.gz OBLRAGOLBFDCFF-YQQAZPJKSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001046569797 811778034 /nfs/dbraw/zinc/77/80/34/811778034.db2.gz OBLRAGOLBFDCFF-YQQAZPJKSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3cncn32)CCC[C@@H]1C[NH3+] ZINC001206026489 811810297 /nfs/dbraw/zinc/81/02/97/811810297.db2.gz SIAAFHONFDFJNE-UONOGXRCSA-N 3 1 272.396 2.141 20 0 CEADMP C[C@H]1C[N@H+](Cc2cccc3c[nH+]cn32)CCC[C@@H]1C[NH3+] ZINC001206026489 811810305 /nfs/dbraw/zinc/81/03/05/811810305.db2.gz SIAAFHONFDFJNE-UONOGXRCSA-N 3 1 272.396 2.141 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3c[nH+]cn32)CCC[C@@H]1C[NH3+] ZINC001206026489 811810313 /nfs/dbraw/zinc/81/03/13/811810313.db2.gz SIAAFHONFDFJNE-UONOGXRCSA-N 3 1 272.396 2.141 20 0 CEADMP C[C@H](C(=O)OCC[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000770379540 811921605 /nfs/dbraw/zinc/92/16/05/811921605.db2.gz CPFSDOQOBVDFDK-QLFBSQMISA-N 2 1 282.428 2.277 20 0 CEADMP C[Si](C)(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206174768 815492713 /nfs/dbraw/zinc/49/27/13/815492713.db2.gz PICAHISAAUSDRF-HOTGVXAUSA-N 2 1 294.490 2.493 20 0 CEADMP C[Si](C)(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206174768 815492717 /nfs/dbraw/zinc/49/27/17/815492717.db2.gz PICAHISAAUSDRF-HOTGVXAUSA-N 2 1 294.490 2.493 20 0 CEADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206173554 815490039 /nfs/dbraw/zinc/49/00/39/815490039.db2.gz IERFEXKNYWTDJB-KGLIPLIRSA-N 2 1 254.324 2.395 20 0 CEADMP CC(C)OC(=O)CC[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001172746773 815501140 /nfs/dbraw/zinc/50/11/40/815501140.db2.gz REGAKNORUSYDKU-KBPBESRZSA-N 2 1 270.417 2.181 20 0 CEADMP CC(C)CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001170090193 812126871 /nfs/dbraw/zinc/12/68/71/812126871.db2.gz IQIANEWKIKSIDV-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001170090193 812126875 /nfs/dbraw/zinc/12/68/75/812126875.db2.gz IQIANEWKIKSIDV-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001113346324 812225020 /nfs/dbraw/zinc/22/50/20/812225020.db2.gz VOUYOSCYNNXFOI-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001113346324 812225031 /nfs/dbraw/zinc/22/50/31/812225031.db2.gz VOUYOSCYNNXFOI-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+]CC[C@H](O)c2ccccc2)CC1 ZINC001254505023 812419548 /nfs/dbraw/zinc/41/95/48/812419548.db2.gz YAXYQSBEYNNOPB-CVEARBPZSA-N 2 1 262.397 2.184 20 0 CEADMP CC(C)C[NH+]1CCC(C[NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254507321 812425309 /nfs/dbraw/zinc/42/53/09/812425309.db2.gz ARWCYLOHKONDCU-KRWDZBQOSA-N 3 1 281.488 2.428 20 0 CEADMP CC(C)C[NH+]1CCC(C[NH2+][C@H]2CCCN(C)CC2)CC1 ZINC001254507321 812425320 /nfs/dbraw/zinc/42/53/20/812425320.db2.gz ARWCYLOHKONDCU-KRWDZBQOSA-N 2 1 281.488 2.428 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254509880 812428126 /nfs/dbraw/zinc/42/81/26/812428126.db2.gz RXJHFCSYVCNLIH-CYBMUJFWSA-N 2 1 270.417 2.040 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052716236 812449247 /nfs/dbraw/zinc/44/92/47/812449247.db2.gz LAATVEZIBIFAHY-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001052716236 812449251 /nfs/dbraw/zinc/44/92/51/812449251.db2.gz LAATVEZIBIFAHY-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052716236 812449255 /nfs/dbraw/zinc/44/92/55/812449255.db2.gz LAATVEZIBIFAHY-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001052713239 812450591 /nfs/dbraw/zinc/45/05/91/812450591.db2.gz UIMYSUQSVSGVJD-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001052713239 812450595 /nfs/dbraw/zinc/45/05/95/812450595.db2.gz UIMYSUQSVSGVJD-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001052713239 812450597 /nfs/dbraw/zinc/45/05/97/812450597.db2.gz UIMYSUQSVSGVJD-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001130427277 812566524 /nfs/dbraw/zinc/56/65/24/812566524.db2.gz KWJYEXCPABZVGH-UHFFFAOYSA-N 2 1 295.471 2.313 20 0 CEADMP Cc1ccc2ncc(C[NH+]3CC4(C3)CC[NH+](C)CC4)n2c1 ZINC001137310954 812618757 /nfs/dbraw/zinc/61/87/57/812618757.db2.gz ZZTXQPLCCJYFTJ-UHFFFAOYSA-N 2 1 284.407 2.170 20 0 CEADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C1 ZINC001170549370 812653358 /nfs/dbraw/zinc/65/33/58/812653358.db2.gz JUPZGXKPERNCHI-CVEARBPZSA-N 2 1 296.455 2.380 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CCC)C1 ZINC001132435111 812850545 /nfs/dbraw/zinc/85/05/45/812850545.db2.gz BGBKFBBOHWOQPW-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC)C1 ZINC001132435111 812850556 /nfs/dbraw/zinc/85/05/56/812850556.db2.gz BGBKFBBOHWOQPW-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC)C1 ZINC001132435111 812850567 /nfs/dbraw/zinc/85/05/67/812850567.db2.gz BGBKFBBOHWOQPW-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132493155 812868187 /nfs/dbraw/zinc/86/81/87/812868187.db2.gz JQVBMPPKHKBBPK-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001052244063 812954933 /nfs/dbraw/zinc/95/49/33/812954933.db2.gz FQUDWHQCNALMJT-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052244063 812954936 /nfs/dbraw/zinc/95/49/36/812954936.db2.gz FQUDWHQCNALMJT-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052244063 812954939 /nfs/dbraw/zinc/95/49/39/812954939.db2.gz FQUDWHQCNALMJT-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170660244 812999216 /nfs/dbraw/zinc/99/92/16/812999216.db2.gz VNESMKJFUZPWPX-SMDDNHRTSA-N 2 1 280.362 2.363 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052658529 813022614 /nfs/dbraw/zinc/02/26/14/813022614.db2.gz QMZTYDHOKBPZRZ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052658529 813022620 /nfs/dbraw/zinc/02/26/20/813022620.db2.gz QMZTYDHOKBPZRZ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001052658529 813022629 /nfs/dbraw/zinc/02/26/29/813022629.db2.gz QMZTYDHOKBPZRZ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC001255342549 813073694 /nfs/dbraw/zinc/07/36/94/813073694.db2.gz FSLJSXRZFKJHEX-VXGQWTEUSA-N 2 1 282.428 2.310 20 0 CEADMP CC1(C)CN(C[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000382766324 813091546 /nfs/dbraw/zinc/09/15/46/813091546.db2.gz UWIHLTRFYWLFGH-QGZVFWFLSA-N 2 1 287.451 2.335 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC001173102167 815580808 /nfs/dbraw/zinc/58/08/08/815580808.db2.gz TXMRPPIUDSSHAB-WLYUNCDWSA-N 2 1 253.434 2.063 20 0 CEADMP CC[NH+](CC)C1CCC(N2CCC[C@@H]([NH3+])C2)CC1 ZINC001173102167 815580809 /nfs/dbraw/zinc/58/08/09/815580809.db2.gz TXMRPPIUDSSHAB-WLYUNCDWSA-N 2 1 253.434 2.063 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CCC[C@@H](N)C2)CC1 ZINC001173102167 815580811 /nfs/dbraw/zinc/58/08/11/815580811.db2.gz TXMRPPIUDSSHAB-WLYUNCDWSA-N 2 1 253.434 2.063 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](N)C2)CC1 ZINC001173102167 815580812 /nfs/dbraw/zinc/58/08/12/815580812.db2.gz TXMRPPIUDSSHAB-WLYUNCDWSA-N 2 1 253.434 2.063 20 0 CEADMP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001086711918 813155480 /nfs/dbraw/zinc/15/54/80/813155480.db2.gz HATXLKJKVCJREV-XHSDSOJGSA-N 2 1 295.471 2.145 20 0 CEADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCc4ncsc4C3)C2)CC1 ZINC001173140141 815599098 /nfs/dbraw/zinc/59/90/98/815599098.db2.gz BZFOHBJDYOODMA-ZDUSSCGKSA-N 2 1 291.464 2.418 20 0 CEADMP C[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[N@@H+](C)Cc1ccccc1 ZINC000390654183 813267093 /nfs/dbraw/zinc/26/70/93/813267093.db2.gz OISSAOSFFADCCQ-JUAVELKISA-N 2 1 299.462 2.093 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134570102 813290496 /nfs/dbraw/zinc/29/04/96/813290496.db2.gz IWBHWKSRBQNRAA-UHFFFAOYSA-N 2 1 294.443 2.149 20 0 CEADMP CC(C)CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134770193 813323528 /nfs/dbraw/zinc/32/35/28/813323528.db2.gz UFSKGZVHOVJPCO-HNNXBMFYSA-N 2 1 283.460 2.001 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CC1 ZINC001170784792 813353744 /nfs/dbraw/zinc/35/37/44/813353744.db2.gz LFUIKRSNELPYQE-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC1CCCC1 ZINC001135437160 813435193 /nfs/dbraw/zinc/43/51/93/813435193.db2.gz POVVBPNRUKRUHM-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071735622 813472992 /nfs/dbraw/zinc/47/29/92/813472992.db2.gz PBIUUIHBVWHXOU-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CC1 ZINC001135980876 813577058 /nfs/dbraw/zinc/57/70/58/813577058.db2.gz UJTBSZUHPMGNFX-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CC1 ZINC001135980874 813578163 /nfs/dbraw/zinc/57/81/63/813578163.db2.gz UJTBSZUHPMGNFX-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135996400 813583173 /nfs/dbraw/zinc/58/31/73/813583173.db2.gz SEGISXNITQTBHW-UONOGXRCSA-N 2 1 271.449 2.001 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccc(F)c3C2)C1 ZINC001170949780 813675284 /nfs/dbraw/zinc/67/52/84/813675284.db2.gz OTVASMCQIAAQRB-OCCSQVGLSA-N 2 1 262.372 2.224 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)CC[C@@H]1[NH3+] ZINC000399255502 813705307 /nfs/dbraw/zinc/70/53/07/813705307.db2.gz LUJKLKNFHMKLCG-BBBLOLIVSA-N 2 1 251.201 2.239 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCOc2cccc(Cl)c2)C[NH2+]1 ZINC001246174204 813721171 /nfs/dbraw/zinc/72/11/71/813721171.db2.gz JPSLSOHVJGBVEQ-DGCLKSJQSA-N 2 1 268.788 2.449 20 0 CEADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](CC)C[C@@H](C)CC ZINC001246202807 813727461 /nfs/dbraw/zinc/72/74/61/813727461.db2.gz TUWIOHRDOWGUKA-YJNKXOJESA-N 2 1 284.444 2.332 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1COc2ccc(Cl)cc2C1 ZINC001246331918 813783396 /nfs/dbraw/zinc/78/33/96/813783396.db2.gz KQZPPKNYZHIYIA-QWHCGFSZSA-N 2 1 268.788 2.216 20 0 CEADMP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246443405 813820442 /nfs/dbraw/zinc/82/04/42/813820442.db2.gz YBTRLEBJIRAWAC-UONOGXRCSA-N 2 1 261.413 2.398 20 0 CEADMP C([NH2+][C@H]1CCCC2(CCCCC2)C1)[C@H]1C[NH2+]CCN1 ZINC001246496327 813868225 /nfs/dbraw/zinc/86/82/25/813868225.db2.gz LYSOESPJXFWQOB-LSDHHAIUSA-N 2 1 265.445 2.031 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC ZINC001171122317 813902595 /nfs/dbraw/zinc/90/25/95/813902595.db2.gz YJNIZNBHHRINPS-GJZGRUSLSA-N 2 1 283.460 2.145 20 0 CEADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246549548 813998818 /nfs/dbraw/zinc/99/88/18/813998818.db2.gz MMXOGGHDUHWERY-JYJNAYRXSA-N 3 1 283.435 2.062 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-n4cccc4)cc3)C[C@@H]2C1 ZINC001144245877 814001859 /nfs/dbraw/zinc/00/18/59/814001859.db2.gz KCWPQSCWYVMIBS-CALCHBBNSA-N 2 1 281.403 2.471 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-n4cccc4)cc3)C[C@@H]2C1 ZINC001144245877 814001863 /nfs/dbraw/zinc/00/18/63/814001863.db2.gz KCWPQSCWYVMIBS-CALCHBBNSA-N 2 1 281.403 2.471 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-n4cccc4)cc3)C[C@@H]2C1 ZINC001144245877 814001874 /nfs/dbraw/zinc/00/18/74/814001874.db2.gz KCWPQSCWYVMIBS-CALCHBBNSA-N 2 1 281.403 2.471 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](N)[C@@H](F)CC2)CC1 ZINC001246568983 814072983 /nfs/dbraw/zinc/07/29/83/814072983.db2.gz MLVOYWCAJYBCHF-CKUJCDMFSA-N 2 1 285.451 2.401 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246568983 814072992 /nfs/dbraw/zinc/07/29/92/814072992.db2.gz MLVOYWCAJYBCHF-CKUJCDMFSA-N 3 1 285.451 2.401 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246568983 814073001 /nfs/dbraw/zinc/07/30/01/814073001.db2.gz MLVOYWCAJYBCHF-CKUJCDMFSA-N 3 1 285.451 2.401 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246579556 814140446 /nfs/dbraw/zinc/14/04/46/814140446.db2.gz FOKGFYLSXRJGAY-JKSUJKDBSA-N 3 1 279.472 2.360 20 0 CEADMP C[C@]1(CN)CCCC[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246579556 814140449 /nfs/dbraw/zinc/14/04/49/814140449.db2.gz FOKGFYLSXRJGAY-JKSUJKDBSA-N 2 1 279.472 2.360 20 0 CEADMP C[C@]1(CN)CCCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C1 ZINC001246579556 814140454 /nfs/dbraw/zinc/14/04/54/814140454.db2.gz FOKGFYLSXRJGAY-JKSUJKDBSA-N 2 1 279.472 2.360 20 0 CEADMP CC1(C)C[C@H]([N@H+]2CCCC[C@](C)(C[NH3+])C2)CCO1 ZINC001246588021 814176457 /nfs/dbraw/zinc/17/64/57/814176457.db2.gz XOLVHDZEFSYGRD-UKRRQHHQSA-N 2 1 254.418 2.395 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171247549 814222506 /nfs/dbraw/zinc/22/25/06/814222506.db2.gz MDMQMAGDLFTHTK-KGLIPLIRSA-N 2 1 292.427 2.045 20 0 CEADMP C1[NH2+]CC12CCC([N@H+]1CCCC[C@]13CCC[NH2+]C3)CC2 ZINC001246651483 814245288 /nfs/dbraw/zinc/24/52/88/814245288.db2.gz LRQYLNYDLQASTB-QGZVFWFLSA-N 3 1 277.456 2.127 20 0 CEADMP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CC[NH2+]1 ZINC001246651779 814245681 /nfs/dbraw/zinc/24/56/81/814245681.db2.gz ZSAHZCXOJNVKFG-GJZGRUSLSA-N 3 1 279.472 2.229 20 0 CEADMP CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001101597250 814285554 /nfs/dbraw/zinc/28/55/54/814285554.db2.gz BLDLGADHYPOOBG-UHFFFAOYSA-N 2 1 297.487 2.201 20 0 CEADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC)C[C@H]1C)C(C)C ZINC001102472318 814389089 /nfs/dbraw/zinc/38/90/89/814389089.db2.gz VTOQNIGCTZCNSH-BZUAXINKSA-N 2 1 297.487 2.057 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CCOC3(C)C)CC2)CC[NH2+]1 ZINC001246945730 814461969 /nfs/dbraw/zinc/46/19/69/814461969.db2.gz LTZYXVHMIVHYCZ-KGLIPLIRSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000694056121 814633370 /nfs/dbraw/zinc/63/33/70/814633370.db2.gz PTNQVNFEEYUGMO-VNQPRFMTSA-N 2 1 259.397 2.229 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](F)[C@H](O)C2)CC1 ZINC001173110464 815582735 /nfs/dbraw/zinc/58/27/35/815582735.db2.gz SSCQEXIQGYBAHB-PFSRBDOWSA-N 2 1 272.408 2.044 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC3(CN(C)C3)C2)CC1 ZINC001173112585 815583988 /nfs/dbraw/zinc/58/39/88/815583988.db2.gz COLWKFNHYIDSQE-UHFFFAOYSA-N 2 1 279.472 2.277 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001173113159 815584380 /nfs/dbraw/zinc/58/43/80/815584380.db2.gz JOUGREKRRUUMRL-OOHWJJMZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCc2ncsc2C1 ZINC001173122283 815586711 /nfs/dbraw/zinc/58/67/11/815586711.db2.gz WWWNRYKTWDCVIL-LLVKDONJSA-N 2 1 253.415 2.061 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713136633 814845171 /nfs/dbraw/zinc/84/51/71/814845171.db2.gz UPJDYIGONUFMBH-UHFFFAOYSA-N 2 1 282.428 2.328 20 0 CEADMP Cn1ccc2c1[nH+]ccc2N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001171397265 814870476 /nfs/dbraw/zinc/87/04/76/814870476.db2.gz NWNLUDDYIFXKML-LBPRGKRZSA-N 2 1 294.358 2.431 20 0 CEADMP CC[N@H+]1CC[C@@H](n2c3ccccc3nc2[C@@H](C)[NH3+])C1 ZINC001173347895 815684082 /nfs/dbraw/zinc/68/40/82/815684082.db2.gz ICJKCQBBQGAQSR-VXGBXAGGSA-N 2 1 258.369 2.323 20 0 CEADMP CC[N@H+]1CC[C@@H](n2c(-c3ccccc3)cnc2C[NH3+])C1 ZINC001173356540 815697305 /nfs/dbraw/zinc/69/73/05/815697305.db2.gz FJWKNPKYLYKVTJ-CQSZACIVSA-N 2 1 270.380 2.276 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C1 ZINC001173362991 815702494 /nfs/dbraw/zinc/70/24/94/815702494.db2.gz KOARTYQIKIMPSB-MRXNPFEDSA-N 2 1 267.461 2.133 20 0 CEADMP CC[N@@H+]1CC[C@H](N2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC001173363502 815703346 /nfs/dbraw/zinc/70/33/46/815703346.db2.gz OJBCEAZAJFDDJO-IRXDYDNUSA-N 2 1 273.424 2.069 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC001173363502 815703350 /nfs/dbraw/zinc/70/33/50/815703350.db2.gz OJBCEAZAJFDDJO-IRXDYDNUSA-N 2 1 273.424 2.069 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC001173363502 815703352 /nfs/dbraw/zinc/70/33/52/815703352.db2.gz OJBCEAZAJFDDJO-IRXDYDNUSA-N 2 1 273.424 2.069 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC001173363502 815703356 /nfs/dbraw/zinc/70/33/56/815703356.db2.gz OJBCEAZAJFDDJO-IRXDYDNUSA-N 2 1 273.424 2.069 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001173438173 815715493 /nfs/dbraw/zinc/71/54/93/815715493.db2.gz YEJIJFRECOQXRC-XQLPTFJDSA-N 2 1 282.428 2.323 20 0 CEADMP CC(=O)Oc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC001138045482 815722110 /nfs/dbraw/zinc/72/21/10/815722110.db2.gz PPKRFPJMEGIBHI-KRWDZBQOSA-N 2 1 288.391 2.140 20 0 CEADMP CC(=O)Oc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001138045482 815722117 /nfs/dbraw/zinc/72/21/17/815722117.db2.gz PPKRFPJMEGIBHI-KRWDZBQOSA-N 2 1 288.391 2.140 20 0 CEADMP CC(=O)Oc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001138045482 815722120 /nfs/dbraw/zinc/72/21/20/815722120.db2.gz PPKRFPJMEGIBHI-KRWDZBQOSA-N 2 1 288.391 2.140 20 0 CEADMP CC(=O)Oc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001138045482 815722127 /nfs/dbraw/zinc/72/21/27/815722127.db2.gz PPKRFPJMEGIBHI-KRWDZBQOSA-N 2 1 288.391 2.140 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001173623298 815766587 /nfs/dbraw/zinc/76/65/87/815766587.db2.gz RHEWCFFNISBDSN-NPJQDHAYSA-N 2 1 294.439 2.323 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC001173622966 815766652 /nfs/dbraw/zinc/76/66/52/815766652.db2.gz PDXQVDJITHHGTH-HIFRSBDPSA-N 2 1 282.428 2.182 20 0 CEADMP COc1cccc(F)c1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001138382863 815784261 /nfs/dbraw/zinc/78/42/61/815784261.db2.gz QZRNRLWRRIWXAF-OLZOCXBDSA-N 2 1 278.371 2.218 20 0 CEADMP COc1cccc(F)c1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001138382863 815784266 /nfs/dbraw/zinc/78/42/66/815784266.db2.gz QZRNRLWRRIWXAF-OLZOCXBDSA-N 2 1 278.371 2.218 20 0 CEADMP COc1cccc(F)c1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001138382863 815784273 /nfs/dbraw/zinc/78/42/73/815784273.db2.gz QZRNRLWRRIWXAF-OLZOCXBDSA-N 2 1 278.371 2.218 20 0 CEADMP COc1cccc(F)c1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001138382863 815784280 /nfs/dbraw/zinc/78/42/80/815784280.db2.gz QZRNRLWRRIWXAF-OLZOCXBDSA-N 2 1 278.371 2.218 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC001138543803 815824115 /nfs/dbraw/zinc/82/41/15/815824115.db2.gz VKJOXWJGWLUQFK-INIZCTEOSA-N 2 1 271.364 2.137 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H](O)C2)cc1 ZINC001138543803 815824123 /nfs/dbraw/zinc/82/41/23/815824123.db2.gz VKJOXWJGWLUQFK-INIZCTEOSA-N 2 1 271.364 2.137 20 0 CEADMP C[N@H+](Cc1cnc2[nH]ccc2c1)CC1CC[NH+](C)CC1 ZINC001138739379 815883439 /nfs/dbraw/zinc/88/34/39/815883439.db2.gz QAZXGSMLCVHOMT-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2ccno2)cc1 ZINC001138772198 815891915 /nfs/dbraw/zinc/89/19/15/815891915.db2.gz UEXHRAUSDWFGQK-UHFFFAOYSA-N 2 1 289.379 2.247 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)Cc2ccno2)cc1 ZINC001138772198 815891920 /nfs/dbraw/zinc/89/19/20/815891920.db2.gz UEXHRAUSDWFGQK-UHFFFAOYSA-N 2 1 289.379 2.247 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc4cccnc4c3)C[C@@H]2C1 ZINC001139167595 815976157 /nfs/dbraw/zinc/97/61/57/815976157.db2.gz AFMSARFKMRWEOM-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4cccnc4c3)C[C@@H]2C1 ZINC001139167595 815976162 /nfs/dbraw/zinc/97/61/62/815976162.db2.gz AFMSARFKMRWEOM-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4cccnc4c3)C[C@@H]2C1 ZINC001139167595 815976165 /nfs/dbraw/zinc/97/61/65/815976165.db2.gz AFMSARFKMRWEOM-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc4cccnc4c3)C[C@@H]2C1 ZINC001139167595 815976170 /nfs/dbraw/zinc/97/61/70/815976170.db2.gz AFMSARFKMRWEOM-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)c(C)cc1O ZINC001140195958 816207686 /nfs/dbraw/zinc/20/76/86/816207686.db2.gz ICVKFBJSOHKBBJ-UHFFFAOYSA-N 2 1 250.386 2.393 20 0 CEADMP Cc1cc(C[N@H+](C)CCC[NH+](C)C)c(C)cc1O ZINC001140195958 816207692 /nfs/dbraw/zinc/20/76/92/816207692.db2.gz ICVKFBJSOHKBBJ-UHFFFAOYSA-N 2 1 250.386 2.393 20 0 CEADMP C[NH+]1CCC2(C[NH+](Cc3ccnn3-c3ccccc3)C2)CC1 ZINC001140531548 816279301 /nfs/dbraw/zinc/27/93/01/816279301.db2.gz RLWRYZWSUDWKKT-UHFFFAOYSA-N 2 1 296.418 2.400 20 0 CEADMP CC1(C)C[N@H+](C[C@H]([NH3+])Cc2ccccc2)[C@](C)(CO)C1 ZINC001206744601 816301960 /nfs/dbraw/zinc/30/19/60/816301960.db2.gz KFUWPPNNFRACEU-WBVHZDCISA-N 2 1 276.424 2.039 20 0 CEADMP CC1(C)C[N@@H+](C[C@H]([NH3+])Cc2ccccc2)[C@](C)(CO)C1 ZINC001206744601 816301965 /nfs/dbraw/zinc/30/19/65/816301965.db2.gz KFUWPPNNFRACEU-WBVHZDCISA-N 2 1 276.424 2.039 20 0 CEADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176166680 816359167 /nfs/dbraw/zinc/35/91/67/816359167.db2.gz VDCJYFBOHMBKKA-HUUCEWRRSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176167341 816359339 /nfs/dbraw/zinc/35/93/39/816359339.db2.gz YDTVELRGRKSAOD-JKSUJKDBSA-N 2 1 297.487 2.249 20 0 CEADMP Cc1noc([C@@H]2CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140805167 816366766 /nfs/dbraw/zinc/36/67/66/816366766.db2.gz UVIRPNZZKBNCMC-LLVKDONJSA-N 2 1 283.335 2.244 20 0 CEADMP Cc1noc([C@@H]2CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140805167 816366776 /nfs/dbraw/zinc/36/67/76/816366776.db2.gz UVIRPNZZKBNCMC-LLVKDONJSA-N 2 1 283.335 2.244 20 0 CEADMP COC(=O)CC[N@@H+](Cc1c[nH]c2ccncc12)C1CC1 ZINC001140805447 816369301 /nfs/dbraw/zinc/36/93/01/816369301.db2.gz FYUJISACSOAJLC-UHFFFAOYSA-N 2 1 273.336 2.090 20 0 CEADMP COC(=O)CC[N@H+](Cc1c[nH]c2cc[nH+]cc12)C1CC1 ZINC001140805447 816369325 /nfs/dbraw/zinc/36/93/25/816369325.db2.gz FYUJISACSOAJLC-UHFFFAOYSA-N 2 1 273.336 2.090 20 0 CEADMP COC(=O)CC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)C1CC1 ZINC001140805447 816369330 /nfs/dbraw/zinc/36/93/30/816369330.db2.gz FYUJISACSOAJLC-UHFFFAOYSA-N 2 1 273.336 2.090 20 0 CEADMP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176564111 816442142 /nfs/dbraw/zinc/44/21/42/816442142.db2.gz LPEFDZHFXXGLRO-JKSUJKDBSA-N 2 1 295.471 2.169 20 0 CEADMP CC(C)CCC[NH2+]CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001176856794 816491625 /nfs/dbraw/zinc/49/16/25/816491625.db2.gz NYOWYHPIMTXIRZ-IYBDPMFKSA-N 2 1 297.487 2.391 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CCC1CCCC1 ZINC001176980830 816503179 /nfs/dbraw/zinc/50/31/79/816503179.db2.gz RRIVSZDXHSSQFL-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3nonc3c2)CC1 ZINC001206304801 816568455 /nfs/dbraw/zinc/56/84/55/816568455.db2.gz PSTLDMCCBSZZPZ-OAHLLOKOSA-N 2 1 274.368 2.174 20 0 CEADMP C[C@H](CC[NH+](C)C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC001141745919 816584110 /nfs/dbraw/zinc/58/41/10/816584110.db2.gz CFOUYMQXWZCWTN-CVEARBPZSA-N 2 1 297.487 2.345 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)CC(C)(C)C ZINC001177855382 816634310 /nfs/dbraw/zinc/63/43/10/816634310.db2.gz UKQJNRRCDZSCHD-CYBMUJFWSA-N 2 1 265.401 2.034 20 0 CEADMP C[N@H+](Cc1cccc2[nH]cnc21)CC1CC[NH+](C)CC1 ZINC001142687512 816709929 /nfs/dbraw/zinc/70/99/29/816709929.db2.gz VGOXNBUDEZIYRL-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP C[N@@H+](Cc1cccc2nc[nH]c21)CC1CC[NH+](C)CC1 ZINC001142687512 816709933 /nfs/dbraw/zinc/70/99/33/816709933.db2.gz VGOXNBUDEZIYRL-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP C[N@H+](Cc1cccc2nc[nH]c21)CC1CC[NH+](C)CC1 ZINC001142687512 816709940 /nfs/dbraw/zinc/70/99/40/816709940.db2.gz VGOXNBUDEZIYRL-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP c1cc2c(nccc2C[NH+]2CCC([NH+]3CCC3)CC2)[nH]1 ZINC001142887980 816749927 /nfs/dbraw/zinc/74/99/27/816749927.db2.gz SGMXLOUFKQMIJQ-UHFFFAOYSA-N 2 1 270.380 2.233 20 0 CEADMP CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178688446 816781467 /nfs/dbraw/zinc/78/14/67/816781467.db2.gz CXWJFHSJUBXDEH-HRCADAONSA-N 2 1 295.471 2.238 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001178920764 816815740 /nfs/dbraw/zinc/81/57/40/816815740.db2.gz IMYCQMKVPMWOJT-INIZCTEOSA-N 2 1 297.487 2.393 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc2nonc21 ZINC001203136185 816821047 /nfs/dbraw/zinc/82/10/47/816821047.db2.gz JYYLSRFVUUIWMR-UHFFFAOYSA-N 2 1 274.368 2.141 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2nonc21 ZINC001203136185 816821052 /nfs/dbraw/zinc/82/10/52/816821052.db2.gz JYYLSRFVUUIWMR-UHFFFAOYSA-N 2 1 274.368 2.141 20 0 CEADMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC001206363424 816826087 /nfs/dbraw/zinc/82/60/87/816826087.db2.gz WYJVBEUMIIIDMT-HNNXBMFYSA-N 2 1 276.359 2.216 20 0 CEADMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC001206363424 816826096 /nfs/dbraw/zinc/82/60/96/816826096.db2.gz WYJVBEUMIIIDMT-HNNXBMFYSA-N 2 1 276.359 2.216 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000601267977 346807049 /nfs/dbraw/zinc/80/70/49/346807049.db2.gz ZNVSRSABRVJTFU-HPUBIQBYSA-N 2 1 296.455 2.428 20 0 CEADMP CC1=C[C@H](C)C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000337452333 214089524 /nfs/dbraw/zinc/08/95/24/214089524.db2.gz FZBMYHUHOAAHOO-INIZCTEOSA-N 2 1 279.472 2.301 20 0 CEADMP COCC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000449093472 282097954 /nfs/dbraw/zinc/09/79/54/282097954.db2.gz XMDQVENBGMTRRJ-CKUJCDMFSA-N 2 1 266.429 2.408 20 0 CEADMP CCCC[C@H](C)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000337486767 214113729 /nfs/dbraw/zinc/11/37/29/214113729.db2.gz ADRWUPYUZZLYDK-HNNXBMFYSA-N 2 1 297.487 2.297 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH2+]C)cc1)C(C)C ZINC000121297591 365548385 /nfs/dbraw/zinc/54/83/85/365548385.db2.gz NLOHQDFEDFCBFZ-UHFFFAOYSA-N 2 1 291.439 2.256 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCO2 ZINC000127750539 187330993 /nfs/dbraw/zinc/33/09/93/187330993.db2.gz PGLXYMSTQVDNMK-ZIAGYGMSSA-N 2 1 274.364 2.132 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCO2 ZINC000127750539 187330995 /nfs/dbraw/zinc/33/09/95/187330995.db2.gz PGLXYMSTQVDNMK-ZIAGYGMSSA-N 2 1 274.364 2.132 20 0 CEADMP CC[N@H+](CC[NH2+][C@H]1CCOC2(CCC2)C1)C(C)C ZINC000449114103 282105066 /nfs/dbraw/zinc/10/50/66/282105066.db2.gz YDEXYCCNMTWALZ-AWEZNQCLSA-N 2 1 254.418 2.408 20 0 CEADMP CC[N@@H+](CC[NH2+][C@H]1CCOC2(CCC2)C1)C(C)C ZINC000449114103 282105069 /nfs/dbraw/zinc/10/50/69/282105069.db2.gz YDEXYCCNMTWALZ-AWEZNQCLSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)N2CCCCC2)CC1 ZINC000337681410 214213199 /nfs/dbraw/zinc/21/31/99/214213199.db2.gz NKXBDCAKQLBSFN-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CCOc1cncc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000621326651 349561607 /nfs/dbraw/zinc/56/16/07/349561607.db2.gz PQEURWFQGYWPSG-UHFFFAOYSA-N 2 1 263.385 2.056 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3c[nH]nc3c2)CC1 ZINC000125215320 187174624 /nfs/dbraw/zinc/17/46/24/187174624.db2.gz DWOCNCGOYNZEIV-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3c[nH]nc3c2)CC1 ZINC000125215320 187174625 /nfs/dbraw/zinc/17/46/25/187174625.db2.gz DWOCNCGOYNZEIV-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337760368 214249128 /nfs/dbraw/zinc/24/91/28/214249128.db2.gz OQTHNFSZERSWNF-MRXNPFEDSA-N 2 1 262.397 2.435 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000337949177 214327687 /nfs/dbraw/zinc/32/76/87/214327687.db2.gz FKZJEGMRGXPJGX-HUUCEWRRSA-N 2 1 265.401 2.375 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)Cc1ccccc1 ZINC000125502232 187188429 /nfs/dbraw/zinc/18/84/29/187188429.db2.gz FVGNWCBANJQNLS-UHFFFAOYSA-N 2 1 287.407 2.466 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)Cc1ccccc1 ZINC000125502232 187188430 /nfs/dbraw/zinc/18/84/30/187188430.db2.gz FVGNWCBANJQNLS-UHFFFAOYSA-N 2 1 287.407 2.466 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000037981979 361971419 /nfs/dbraw/zinc/97/14/19/361971419.db2.gz KOBZOELISSQLFE-IUODEOHRSA-N 2 1 282.815 2.447 20 0 CEADMP COC1CCC([NH2+]CCCn2cc[nH+]c2C)CC1 ZINC000338008140 214356214 /nfs/dbraw/zinc/35/62/14/214356214.db2.gz BYSIOBNDFAHZBW-UHFFFAOYSA-N 2 1 251.374 2.129 20 0 CEADMP COCC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)C(C)(C)C ZINC000338016394 214361769 /nfs/dbraw/zinc/36/17/69/214361769.db2.gz DWTGLBFQALFVOB-HNNXBMFYSA-N 2 1 286.460 2.138 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000125610656 187192633 /nfs/dbraw/zinc/19/26/33/187192633.db2.gz UPBPPVNPESKHTP-NSHDSACASA-N 2 1 254.324 2.396 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000125610656 187192634 /nfs/dbraw/zinc/19/26/34/187192634.db2.gz UPBPPVNPESKHTP-NSHDSACASA-N 2 1 254.324 2.396 20 0 CEADMP CCc1noc(C)c1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567723970 299082151 /nfs/dbraw/zinc/08/21/51/299082151.db2.gz KLBNUJVIRMHWGV-ZYHUDNBSSA-N 2 1 251.374 2.023 20 0 CEADMP CN1CC(C[N@@H+](C)Cc2cn(C)nc2-c2cccs2)C1 ZINC000668539899 539194083 /nfs/dbraw/zinc/19/40/83/539194083.db2.gz PKYUEIKPGLHZBQ-UHFFFAOYSA-N 2 1 290.436 2.142 20 0 CEADMP CCn1nccc1CC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000621776642 349699630 /nfs/dbraw/zinc/69/96/30/349699630.db2.gz QXKAHUIDGRUSPZ-GDBMZVCRSA-N 2 1 278.444 2.285 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCCc1ccsc1)C2 ZINC000621784373 349702245 /nfs/dbraw/zinc/70/22/45/349702245.db2.gz OCBGHRAJSHTGMK-KBPBESRZSA-N 2 1 250.411 2.494 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCCc1ccsc1)C2 ZINC000621784373 349702247 /nfs/dbraw/zinc/70/22/47/349702247.db2.gz OCBGHRAJSHTGMK-KBPBESRZSA-N 2 1 250.411 2.494 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)[C@@H]2CCC[C@@H]21 ZINC000621768549 349695884 /nfs/dbraw/zinc/69/58/84/349695884.db2.gz RBJCFDVAIXWXGP-VOAKCMCISA-N 2 1 258.356 2.494 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449343783 282194242 /nfs/dbraw/zinc/19/42/42/282194242.db2.gz NACAMTGBWRQYRH-FZKCQIBNSA-N 2 1 295.471 2.273 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCCC2)[C@@H](C)C1 ZINC000449345261 282194248 /nfs/dbraw/zinc/19/42/48/282194248.db2.gz HLPZCZFMXYEGGW-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](O)C1([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000668702845 539241122 /nfs/dbraw/zinc/24/11/22/539241122.db2.gz RASVGWKDKPHXGO-ZMSDIMECSA-N 2 1 288.435 2.400 20 0 CEADMP FC(F)(F)COCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128119366 539251805 /nfs/dbraw/zinc/25/18/05/539251805.db2.gz BTWPQYTUFWZYGO-NWDGAFQWSA-N 2 1 280.334 2.172 20 0 CEADMP FC(F)(F)COCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128118916 539251825 /nfs/dbraw/zinc/25/18/25/539251825.db2.gz BTWPQYTUFWZYGO-VXGBXAGGSA-N 2 1 280.334 2.172 20 0 CEADMP Cc1ccc(CCC[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000622003776 349763304 /nfs/dbraw/zinc/76/33/04/349763304.db2.gz FTAKHIYAIWNEQP-HOTGVXAUSA-N 2 1 259.397 2.136 20 0 CEADMP Cc1ccc(CCC[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000622003776 349763305 /nfs/dbraw/zinc/76/33/05/349763305.db2.gz FTAKHIYAIWNEQP-HOTGVXAUSA-N 2 1 259.397 2.136 20 0 CEADMP C[C@H](Cc1ccsc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668740580 539256092 /nfs/dbraw/zinc/25/60/92/539256092.db2.gz VWLDBOHDOPJNNF-CZUORRHYSA-N 2 1 294.464 2.210 20 0 CEADMP C[C@H](Cc1ccsc1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668740580 539256093 /nfs/dbraw/zinc/25/60/93/539256093.db2.gz VWLDBOHDOPJNNF-CZUORRHYSA-N 2 1 294.464 2.210 20 0 CEADMP C[N@@H+](CCC[NH2+]C1CSC1)Cc1ccccc1 ZINC000307283800 539263392 /nfs/dbraw/zinc/26/33/92/539263392.db2.gz MMVAKPYJGZSOKF-UHFFFAOYSA-N 2 1 250.411 2.214 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2cnn(C)c2)C1 ZINC000081516130 539265808 /nfs/dbraw/zinc/26/58/08/539265808.db2.gz WSAJBFIBRDMNKB-INIZCTEOSA-N 2 1 278.444 2.016 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCc2cnn(C)c2)C1 ZINC000081516130 539265809 /nfs/dbraw/zinc/26/58/09/539265809.db2.gz WSAJBFIBRDMNKB-INIZCTEOSA-N 2 1 278.444 2.016 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2cnn(C)c2)C1 ZINC000081516130 539265810 /nfs/dbraw/zinc/26/58/10/539265810.db2.gz WSAJBFIBRDMNKB-INIZCTEOSA-N 2 1 278.444 2.016 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cccc(Br)c1 ZINC000042440300 362095211 /nfs/dbraw/zinc/09/52/11/362095211.db2.gz LUIQKNJHDRWBHW-UHFFFAOYSA-N 2 1 257.175 2.230 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(Br)cc1 ZINC000042440101 362095500 /nfs/dbraw/zinc/09/55/00/362095500.db2.gz CIFUMEIWHVDFMP-UHFFFAOYSA-N 2 1 271.202 2.490 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(Br)cc1 ZINC000042440101 362095504 /nfs/dbraw/zinc/09/55/04/362095504.db2.gz CIFUMEIWHVDFMP-UHFFFAOYSA-N 2 1 271.202 2.490 20 0 CEADMP CCC[C@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)[NH+](C)C ZINC000351051815 219075724 /nfs/dbraw/zinc/07/57/24/219075724.db2.gz HNKLUXKOUYTDQQ-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000043326932 362143884 /nfs/dbraw/zinc/14/38/84/362143884.db2.gz FGQXDNCMOPSETP-GMTAPVOTSA-N 2 1 250.308 2.449 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000675736136 539300268 /nfs/dbraw/zinc/30/02/68/539300268.db2.gz NUJXEAQDZVSBGI-OLZOCXBDSA-N 2 1 252.402 2.018 20 0 CEADMP CN(C)[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128874353 282249588 /nfs/dbraw/zinc/24/95/88/282249588.db2.gz SOXSLFVRXJBFQV-JKSUJKDBSA-N 2 1 261.413 2.021 20 0 CEADMP CCc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(C)[nH+]1 ZINC000295902337 539318699 /nfs/dbraw/zinc/31/86/99/539318699.db2.gz FDZZIVLWCMYYMB-AGUYFDCRSA-N 2 1 260.385 2.385 20 0 CEADMP CCc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(C)[nH+]1 ZINC000295902337 539318701 /nfs/dbraw/zinc/31/87/01/539318701.db2.gz FDZZIVLWCMYYMB-AGUYFDCRSA-N 2 1 260.385 2.385 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000246493128 539322628 /nfs/dbraw/zinc/32/26/28/539322628.db2.gz RYSUUXIKDRXIMF-RZLSGREXSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(C)COC1 ZINC000336703043 365767705 /nfs/dbraw/zinc/76/77/05/365767705.db2.gz FTNOVUXNRBJQRY-QGZVFWFLSA-N 2 1 288.435 2.477 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000336710799 365773249 /nfs/dbraw/zinc/77/32/49/365773249.db2.gz NGNSMWVMLJGHMC-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000449560246 282283524 /nfs/dbraw/zinc/28/35/24/282283524.db2.gz IJKUCILEGSZVFD-HBSZEWBOSA-N 2 1 266.429 2.261 20 0 CEADMP c1ccc(COCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000336725133 365786832 /nfs/dbraw/zinc/78/68/32/365786832.db2.gz XUWAAPBDENUKKF-SJORKVTESA-N 2 1 274.408 2.135 20 0 CEADMP c1ccc(COCCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000336725131 365786971 /nfs/dbraw/zinc/78/69/71/365786971.db2.gz XUWAAPBDENUKKF-IRXDYDNUSA-N 2 1 274.408 2.135 20 0 CEADMP CC(C)[NH+](CCN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C(C)C ZINC000128384995 365787283 /nfs/dbraw/zinc/78/72/83/365787283.db2.gz NLFYMRSVZZBPFW-CABCVRRESA-N 2 1 267.461 2.320 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)CCC1CCCCC1)C1CC1 ZINC000351478936 219100691 /nfs/dbraw/zinc/10/06/91/219100691.db2.gz QAGQHVORKHDAMD-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)CCC1CCCCC1)C1CC1 ZINC000351478936 219100693 /nfs/dbraw/zinc/10/06/93/219100693.db2.gz QAGQHVORKHDAMD-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+](CCC1CCCCC1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351478936 219100694 /nfs/dbraw/zinc/10/06/94/219100694.db2.gz QAGQHVORKHDAMD-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+](CCC1CCCCC1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351478936 219100696 /nfs/dbraw/zinc/10/06/96/219100696.db2.gz QAGQHVORKHDAMD-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000128584974 365797836 /nfs/dbraw/zinc/79/78/36/365797836.db2.gz SVLHMQFNXJQYIH-UKRRQHHQSA-N 2 1 265.445 2.076 20 0 CEADMP Cc1ncsc1CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000295077522 199333167 /nfs/dbraw/zinc/33/31/67/199333167.db2.gz RRINTPRYOGNXBD-UHFFFAOYSA-N 2 1 276.409 2.245 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)CC1CCOCC1 ZINC000162192340 529886821 /nfs/dbraw/zinc/88/68/21/529886821.db2.gz LIKUSQFMIMZQFW-UHFFFAOYSA-N 2 1 254.418 2.221 20 0 CEADMP C[N@@H+](C[C@@H](O)CC1CCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000354858251 529941760 /nfs/dbraw/zinc/94/17/60/529941760.db2.gz SKFREKWDFBKHPJ-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+](C[C@@H](O)CC1CCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000354858251 529941761 /nfs/dbraw/zinc/94/17/61/529941761.db2.gz SKFREKWDFBKHPJ-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+](C[C@@H](O)CC1CCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000354858251 529941762 /nfs/dbraw/zinc/94/17/62/529941762.db2.gz SKFREKWDFBKHPJ-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)OC(C)(C)C)C1 ZINC000081632077 344060467 /nfs/dbraw/zinc/06/04/67/344060467.db2.gz XTPCMQKYWYCSBM-OAHLLOKOSA-N 2 1 296.455 2.382 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)OC(C)(C)C)C1 ZINC000081632077 344060470 /nfs/dbraw/zinc/06/04/70/344060470.db2.gz XTPCMQKYWYCSBM-OAHLLOKOSA-N 2 1 296.455 2.382 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)OC(C)(C)C)C1 ZINC000081632077 344060472 /nfs/dbraw/zinc/06/04/72/344060472.db2.gz XTPCMQKYWYCSBM-OAHLLOKOSA-N 2 1 296.455 2.382 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)OC(C)(C)C)C1 ZINC000081632077 344060476 /nfs/dbraw/zinc/06/04/76/344060476.db2.gz XTPCMQKYWYCSBM-OAHLLOKOSA-N 2 1 296.455 2.382 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCCn1cc[nH+]c1C ZINC000273187076 192068442 /nfs/dbraw/zinc/06/84/42/192068442.db2.gz IDLNNGYGBSTJJC-CYBMUJFWSA-N 2 1 294.443 2.255 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000351574602 219131624 /nfs/dbraw/zinc/13/16/24/219131624.db2.gz PMVDTMHEBXNOMG-PBHICJAKSA-N 2 1 290.451 2.397 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000351574602 219131625 /nfs/dbraw/zinc/13/16/25/219131625.db2.gz PMVDTMHEBXNOMG-PBHICJAKSA-N 2 1 290.451 2.397 20 0 CEADMP Clc1c[nH+]ccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000089602756 344126250 /nfs/dbraw/zinc/12/62/50/344126250.db2.gz JNLFCTSRSFGLHV-LBPRGKRZSA-N 2 1 281.787 2.400 20 0 CEADMP CCOCCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090722568 344142699 /nfs/dbraw/zinc/14/26/99/344142699.db2.gz NMSKJBILSYJDRL-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000090795719 344143632 /nfs/dbraw/zinc/14/36/32/344143632.db2.gz PVQQQKCSFHJPCF-KJWYOANISA-N 2 1 288.435 2.139 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)[C@H](C)CCO ZINC000093311146 344218966 /nfs/dbraw/zinc/21/89/66/344218966.db2.gz YYRBPXVVKVMAIT-OAHLLOKOSA-N 2 1 287.407 2.465 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)[C@H](C)CCO ZINC000093311146 344218967 /nfs/dbraw/zinc/21/89/67/344218967.db2.gz YYRBPXVVKVMAIT-OAHLLOKOSA-N 2 1 287.407 2.465 20 0 CEADMP C[NH+]1CCC([NH2+]CCNc2ccc3ccccc3n2)CC1 ZINC000092192057 344179553 /nfs/dbraw/zinc/17/95/53/344179553.db2.gz PANSNYUWLRFEDU-UHFFFAOYSA-N 2 1 284.407 2.331 20 0 CEADMP Cc1ccsc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000105476822 344256871 /nfs/dbraw/zinc/25/68/71/344256871.db2.gz ILLMHKDBYZDYKT-UHFFFAOYSA-N 2 1 281.469 2.174 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1(CC)CC ZINC000351605962 219143942 /nfs/dbraw/zinc/14/39/42/219143942.db2.gz SNMOAIJNTSVONT-HRCADAONSA-N 2 1 298.471 2.015 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1(CC)CC ZINC000351605962 219143945 /nfs/dbraw/zinc/14/39/45/219143945.db2.gz SNMOAIJNTSVONT-HRCADAONSA-N 2 1 298.471 2.015 20 0 CEADMP CSC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000589169346 345068634 /nfs/dbraw/zinc/06/86/34/345068634.db2.gz JRFSEOBNCNTLRH-AWEZNQCLSA-N 2 1 284.469 2.115 20 0 CEADMP CC(C)OCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590787270 345181141 /nfs/dbraw/zinc/18/11/41/345181141.db2.gz XXTXHEJEKOGYGK-UHFFFAOYSA-N 2 1 256.434 2.464 20 0 CEADMP CCOC(=O)CC[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000591272459 345236897 /nfs/dbraw/zinc/23/68/97/345236897.db2.gz ODEMGGVUIJPTDA-LSDHHAIUSA-N 2 1 284.444 2.415 20 0 CEADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000591272459 345236898 /nfs/dbraw/zinc/23/68/98/345236898.db2.gz ODEMGGVUIJPTDA-LSDHHAIUSA-N 2 1 284.444 2.415 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCC[NH+](C)C)C1 ZINC000591099004 345220783 /nfs/dbraw/zinc/22/07/83/345220783.db2.gz IBVOUQAWESDXDO-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)(C)OC(=O)C[N@@H+](CCCn1ccnc1)CC1CC1 ZINC000593075838 345434135 /nfs/dbraw/zinc/43/41/35/345434135.db2.gz WGXUUWMTJIOCHI-UHFFFAOYSA-N 2 1 293.411 2.327 20 0 CEADMP CC(C)(C)OC(=O)CN(CCCn1ccnc1)CC1CC1 ZINC000593075838 345434138 /nfs/dbraw/zinc/43/41/38/345434138.db2.gz WGXUUWMTJIOCHI-UHFFFAOYSA-N 2 1 293.411 2.327 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(F)c1OC(F)F ZINC000623086146 349933478 /nfs/dbraw/zinc/93/34/78/349933478.db2.gz ZZKBPFNPIUIVSL-UHFFFAOYSA-N 2 1 299.296 2.493 20 0 CEADMP CCOC(=O)CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000594583465 345651448 /nfs/dbraw/zinc/65/14/48/345651448.db2.gz NOXBRXYAXMBNMI-UONOGXRCSA-N 2 1 270.417 2.038 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000568180997 299121837 /nfs/dbraw/zinc/12/18/37/299121837.db2.gz IHMOUHMGNRVWTB-GOEBONIOSA-N 2 1 277.412 2.244 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000568180997 299121840 /nfs/dbraw/zinc/12/18/40/299121840.db2.gz IHMOUHMGNRVWTB-GOEBONIOSA-N 2 1 277.412 2.244 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000594923951 345703642 /nfs/dbraw/zinc/70/36/42/345703642.db2.gz HBBPRTZRNHZGRW-ZJIFWQFVSA-N 2 1 296.455 2.428 20 0 CEADMP C[C@H](CSCCF)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000595014754 345727514 /nfs/dbraw/zinc/72/75/14/345727514.db2.gz TTYHTSREQXVUOT-UPJWGTAASA-N 2 1 260.422 2.294 20 0 CEADMP C[C@H](CSCCF)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000595014754 345727516 /nfs/dbraw/zinc/72/75/16/345727516.db2.gz TTYHTSREQXVUOT-UPJWGTAASA-N 2 1 260.422 2.294 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)CC1 ZINC000595063345 345738289 /nfs/dbraw/zinc/73/82/89/345738289.db2.gz QLFMJBFONTTZON-VCBZYWHSSA-N 2 1 286.485 2.140 20 0 CEADMP COC(=O)C1([N@H+](CCCn2cc[nH+]c2C)C2CC2)CCC1 ZINC000595542564 345807782 /nfs/dbraw/zinc/80/77/82/345807782.db2.gz QRWFSBFFSWDDLK-UHFFFAOYSA-N 2 1 291.395 2.142 20 0 CEADMP COC(=O)C1([N@@H+](CCCn2cc[nH+]c2C)C2CC2)CCC1 ZINC000595542564 345807784 /nfs/dbraw/zinc/80/77/84/345807784.db2.gz QRWFSBFFSWDDLK-UHFFFAOYSA-N 2 1 291.395 2.142 20 0 CEADMP CC(C)SCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595907802 345910682 /nfs/dbraw/zinc/91/06/82/345910682.db2.gz YOIMKVWLDGQLQI-CQSZACIVSA-N 2 1 274.474 2.171 20 0 CEADMP Cc1cnc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000173956715 232286970 /nfs/dbraw/zinc/28/69/70/232286970.db2.gz CBTYDRJLASDWEC-UHFFFAOYSA-N 2 1 293.411 2.060 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2cc(Cl)cn2)[C@H](C)C1 ZINC000459373918 290129976 /nfs/dbraw/zinc/12/99/76/290129976.db2.gz IQOSLBBKCRPSQD-TZMCWYRMSA-N 2 1 284.835 2.199 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2cc(Cl)cn2)[C@H](C)C1 ZINC000459373918 290129979 /nfs/dbraw/zinc/12/99/79/290129979.db2.gz IQOSLBBKCRPSQD-TZMCWYRMSA-N 2 1 284.835 2.199 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2cc(Cl)cn2)[C@H](C)C1 ZINC000459373918 290129981 /nfs/dbraw/zinc/12/99/81/290129981.db2.gz IQOSLBBKCRPSQD-TZMCWYRMSA-N 2 1 284.835 2.199 20 0 CEADMP CC(C)[C@H](CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1CCCC1 ZINC000128908703 365809044 /nfs/dbraw/zinc/80/90/44/365809044.db2.gz VUOWTESUAWAEES-ZOBUZTSGSA-N 2 1 279.472 2.322 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(CC(=O)OC)CC1 ZINC000599027315 346449283 /nfs/dbraw/zinc/44/92/83/346449283.db2.gz LMWKAWZNKPPJOM-WLYUNCDWSA-N 2 1 284.444 2.428 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(CC(=O)OC)CC1 ZINC000599027315 346449285 /nfs/dbraw/zinc/44/92/85/346449285.db2.gz LMWKAWZNKPPJOM-WLYUNCDWSA-N 2 1 284.444 2.428 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000599036885 346450456 /nfs/dbraw/zinc/45/04/56/346450456.db2.gz YPJYZDBYNPWGEX-PPWQZUPISA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000599036885 346450459 /nfs/dbraw/zinc/45/04/59/346450459.db2.gz YPJYZDBYNPWGEX-PPWQZUPISA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)CCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000599266487 346487352 /nfs/dbraw/zinc/48/73/52/346487352.db2.gz YCQPSYYYYUBTPX-UHFFFAOYSA-N 2 1 282.428 2.280 20 0 CEADMP CCCC[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128422311 187369652 /nfs/dbraw/zinc/36/96/52/187369652.db2.gz IMSKOYQDLDGGNJ-OAHLLOKOSA-N 2 1 255.450 2.182 20 0 CEADMP CC[C@]1(C)COCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000336798197 365822562 /nfs/dbraw/zinc/82/25/62/365822562.db2.gz DBNXQHVGJZTQEU-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP CC[C@]1(C)COCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000336798197 365822570 /nfs/dbraw/zinc/82/25/70/365822570.db2.gz DBNXQHVGJZTQEU-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP CC[NH+](CC)CCC[NH+]1[C@H](C)CC(C(=O)OC)C[C@H]1C ZINC000599698059 346571215 /nfs/dbraw/zinc/57/12/15/346571215.db2.gz UQABGJKNPIZTBB-ZIAGYGMSSA-N 2 1 284.444 2.380 20 0 CEADMP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000129346658 365849597 /nfs/dbraw/zinc/84/95/97/365849597.db2.gz TVFUZENPRCVFGP-RRFJBIMHSA-N 2 1 293.411 2.498 20 0 CEADMP CCC[C@H](C(=O)OCC)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000129346658 365849604 /nfs/dbraw/zinc/84/96/04/365849604.db2.gz TVFUZENPRCVFGP-RRFJBIMHSA-N 2 1 293.411 2.498 20 0 CEADMP CC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000236928679 370657684 /nfs/dbraw/zinc/65/76/84/370657684.db2.gz ZWRKFMVXSKVJNS-NHYWBVRUSA-N 2 1 286.379 2.095 20 0 CEADMP COC(C)(C)CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000336828054 365890713 /nfs/dbraw/zinc/89/07/13/365890713.db2.gz RQWGMLSLZLNUIA-UHFFFAOYSA-N 2 1 279.428 2.490 20 0 CEADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000611323001 347766701 /nfs/dbraw/zinc/76/67/01/347766701.db2.gz IXBHIQSUDNXJEX-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP COC(=O)C(C)(C)[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000611323001 347766704 /nfs/dbraw/zinc/76/67/04/347766704.db2.gz IXBHIQSUDNXJEX-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP COC(=O)C(C)(C)[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000611323001 347766708 /nfs/dbraw/zinc/76/67/08/347766708.db2.gz IXBHIQSUDNXJEX-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC[N@@H+](CC[C@H]1CCC[NH+]1C)CC1CC1 ZINC000611243470 347758038 /nfs/dbraw/zinc/75/80/38/347758038.db2.gz AJRCCTFKMQZXCN-OAHLLOKOSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CC[NH+](CC[C@H]1CCC[N@@H+]1C)CC1CC1 ZINC000611243470 347758040 /nfs/dbraw/zinc/75/80/40/347758040.db2.gz AJRCCTFKMQZXCN-OAHLLOKOSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CC[NH+](CC[C@H]1CCC[N@H+]1C)CC1CC1 ZINC000611243470 347758043 /nfs/dbraw/zinc/75/80/43/347758043.db2.gz AJRCCTFKMQZXCN-OAHLLOKOSA-N 2 1 282.428 2.136 20 0 CEADMP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000130137075 365927024 /nfs/dbraw/zinc/92/70/24/365927024.db2.gz FJAOEUBQZWYACJ-NWANDNLSSA-N 2 1 262.401 2.180 20 0 CEADMP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000130137075 365927025 /nfs/dbraw/zinc/92/70/25/365927025.db2.gz FJAOEUBQZWYACJ-NWANDNLSSA-N 2 1 262.401 2.180 20 0 CEADMP COc1ccsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334391514 539591112 /nfs/dbraw/zinc/59/11/12/539591112.db2.gz VNUKCEXMLNCVNN-AWEZNQCLSA-N 2 1 266.410 2.332 20 0 CEADMP COc1ccsc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334391514 539591116 /nfs/dbraw/zinc/59/11/16/539591116.db2.gz VNUKCEXMLNCVNN-AWEZNQCLSA-N 2 1 266.410 2.332 20 0 CEADMP C[N@@H+](Cc1cnc(Cl)s1)C1CCC([NH3+])CC1 ZINC000086778010 179329709 /nfs/dbraw/zinc/32/97/09/179329709.db2.gz JVFFVTWSMYCNHQ-UHFFFAOYSA-N 2 1 259.806 2.498 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCC(F)(F)C3)C2)C1 ZINC000336268461 539605649 /nfs/dbraw/zinc/60/56/49/539605649.db2.gz RNIZGDUTXFTCMG-CHWSQXEVSA-N 2 1 258.356 2.449 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CCC(F)(F)C3)C2)C1 ZINC000336268461 539605652 /nfs/dbraw/zinc/60/56/52/539605652.db2.gz RNIZGDUTXFTCMG-CHWSQXEVSA-N 2 1 258.356 2.449 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CCC(F)(F)C3)C2)C1 ZINC000336268461 539605654 /nfs/dbraw/zinc/60/56/54/539605654.db2.gz RNIZGDUTXFTCMG-CHWSQXEVSA-N 2 1 258.356 2.449 20 0 CEADMP CC(C)([NH3+])C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000339427739 215161586 /nfs/dbraw/zinc/16/15/86/215161586.db2.gz ACVVJXSNDDJAIH-INIZCTEOSA-N 2 1 276.424 2.447 20 0 CEADMP CC(C)([NH3+])C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000339427739 215161587 /nfs/dbraw/zinc/16/15/87/215161587.db2.gz ACVVJXSNDDJAIH-INIZCTEOSA-N 2 1 276.424 2.447 20 0 CEADMP CC(C)C[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)C ZINC000623353231 349995970 /nfs/dbraw/zinc/99/59/70/349995970.db2.gz FJJFABZYLCMPTF-CABCVRRESA-N 2 1 269.477 2.425 20 0 CEADMP Cc1nc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000623363795 349999891 /nfs/dbraw/zinc/99/98/91/349999891.db2.gz GAYWJYZVCIWGKT-LLVKDONJSA-N 2 1 253.415 2.414 20 0 CEADMP c1cc2c(c(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c1)NCC2 ZINC000335866221 539649801 /nfs/dbraw/zinc/64/98/01/539649801.db2.gz AHYVCBWVFAAYES-KRWDZBQOSA-N 2 1 271.408 2.230 20 0 CEADMP C[C@@H](C(=O)NC[C@H]1CC[NH+]1C(C)(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000617014390 348612816 /nfs/dbraw/zinc/61/28/16/348612816.db2.gz ISVGEHDJSWFMTA-LJISPDSOSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000617014390 348612817 /nfs/dbraw/zinc/61/28/17/348612817.db2.gz ISVGEHDJSWFMTA-LJISPDSOSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000617014390 348612819 /nfs/dbraw/zinc/61/28/19/348612819.db2.gz ISVGEHDJSWFMTA-LJISPDSOSA-N 2 1 295.471 2.237 20 0 CEADMP CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCCC1 ZINC000339066360 539659556 /nfs/dbraw/zinc/65/95/56/539659556.db2.gz AJPCBNNAMCSCAM-CVEARBPZSA-N 2 1 279.472 2.467 20 0 CEADMP COCc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000088555266 179623428 /nfs/dbraw/zinc/62/34/28/179623428.db2.gz BXABEAVNTGLRPV-AWEZNQCLSA-N 2 1 262.397 2.394 20 0 CEADMP c1ccc2c(c1)CC[N@@H+](CCN[C@@H]1CC[NH+]3CCC[C@H]3C1)C2 ZINC000339066467 539660029 /nfs/dbraw/zinc/66/00/29/539660029.db2.gz DFGFCGFKLAMDNY-MOPGFXCFSA-N 2 1 299.462 2.261 20 0 CEADMP c1ccc2c(c1)CC[N@H+](CCN[C@@H]1CC[NH+]3CCC[C@H]3C1)C2 ZINC000339066467 539660034 /nfs/dbraw/zinc/66/00/34/539660034.db2.gz DFGFCGFKLAMDNY-MOPGFXCFSA-N 2 1 299.462 2.261 20 0 CEADMP c1ccc2c(c1)CC[NH+](CCN[C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000339066467 539660041 /nfs/dbraw/zinc/66/00/41/539660041.db2.gz DFGFCGFKLAMDNY-MOPGFXCFSA-N 2 1 299.462 2.261 20 0 CEADMP c1ccc2c(c1)CC[NH+](CCN[C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000339066467 539660046 /nfs/dbraw/zinc/66/00/46/539660046.db2.gz DFGFCGFKLAMDNY-MOPGFXCFSA-N 2 1 299.462 2.261 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@@H](C)C[N@H+](C)C(C)C)n1 ZINC000357564268 233097354 /nfs/dbraw/zinc/09/73/54/233097354.db2.gz JDFZFERQXKZZIY-LBPRGKRZSA-N 2 1 288.399 2.111 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@@H](C)C[N@@H+](C)C(C)C)n1 ZINC000357564268 233097356 /nfs/dbraw/zinc/09/73/56/233097356.db2.gz JDFZFERQXKZZIY-LBPRGKRZSA-N 2 1 288.399 2.111 20 0 CEADMP CC[NH+](CC)[C@H]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2C)C1 ZINC000339280299 539687685 /nfs/dbraw/zinc/68/76/85/539687685.db2.gz FSCBIZGILFFSGD-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](C)C(C)(C)C)C2)CC1 ZINC000619844305 349239786 /nfs/dbraw/zinc/23/97/86/349239786.db2.gz QXUOBPNTTWWXTI-CVEARBPZSA-N 2 1 281.488 2.380 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000620623934 349407423 /nfs/dbraw/zinc/40/74/23/349407423.db2.gz IWWSWOKWSVNSPZ-KBPBESRZSA-N 2 1 283.460 2.096 20 0 CEADMP C[N@@H+](CCN[C@H]1CC[NH+](C)C(C)(C)C1)C1CCCC1 ZINC000623406221 350011155 /nfs/dbraw/zinc/01/11/55/350011155.db2.gz PHCCVLHEBSCEKG-AWEZNQCLSA-N 2 1 267.461 2.323 20 0 CEADMP C[NH+](CCN[C@H]1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623406221 350011159 /nfs/dbraw/zinc/01/11/59/350011159.db2.gz PHCCVLHEBSCEKG-AWEZNQCLSA-N 2 1 267.461 2.323 20 0 CEADMP C[NH+](CCN[C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623406221 350011161 /nfs/dbraw/zinc/01/11/61/350011161.db2.gz PHCCVLHEBSCEKG-AWEZNQCLSA-N 2 1 267.461 2.323 20 0 CEADMP C[N@@H+](CCN[C@@H]1CC[NH+](C)C(C)(C)C1)C1CCCC1 ZINC000623406222 350011245 /nfs/dbraw/zinc/01/12/45/350011245.db2.gz PHCCVLHEBSCEKG-CQSZACIVSA-N 2 1 267.461 2.323 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623406222 350011246 /nfs/dbraw/zinc/01/12/46/350011246.db2.gz PHCCVLHEBSCEKG-CQSZACIVSA-N 2 1 267.461 2.323 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623406222 350011250 /nfs/dbraw/zinc/01/12/50/350011250.db2.gz PHCCVLHEBSCEKG-CQSZACIVSA-N 2 1 267.461 2.323 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)CC1(C)C ZINC000623423631 350016569 /nfs/dbraw/zinc/01/65/69/350016569.db2.gz MACNYOODHGHUBX-OLZOCXBDSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)C[N@H+]1C1CC1 ZINC000623443258 350021748 /nfs/dbraw/zinc/02/17/48/350021748.db2.gz WVKWCFMERQRVEQ-MCIONIFRSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C[NH+]1C1CC1 ZINC000623443258 350021756 /nfs/dbraw/zinc/02/17/56/350021756.db2.gz WVKWCFMERQRVEQ-MCIONIFRSA-N 2 1 265.445 2.074 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@H](O)C(F)(F)F ZINC000623478480 350029798 /nfs/dbraw/zinc/02/97/98/350029798.db2.gz MPLUREJZIJFACL-VWYCJHECSA-N 2 1 282.350 2.151 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](O)C(F)(F)F ZINC000623478480 350029799 /nfs/dbraw/zinc/02/97/99/350029799.db2.gz MPLUREJZIJFACL-VWYCJHECSA-N 2 1 282.350 2.151 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC2(CO)CCC2)CC1(C)C ZINC000623561005 350051460 /nfs/dbraw/zinc/05/14/60/350051460.db2.gz YYSCOEQAYQBIMW-ZDUSSCGKSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1(C)C ZINC000623572713 350054189 /nfs/dbraw/zinc/05/41/89/350054189.db2.gz KYAUBQHKBGUBBE-UONOGXRCSA-N 2 1 295.471 2.096 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000250499610 539748531 /nfs/dbraw/zinc/74/85/31/539748531.db2.gz KQYBZIQFCXEDKM-RBSFLKMASA-N 2 1 254.418 2.264 20 0 CEADMP Cc1ccc(O)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC000090736100 180034486 /nfs/dbraw/zinc/03/44/86/180034486.db2.gz AIIOBQBQAFOYSA-AGUYFDCRSA-N 2 1 275.396 2.201 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000090891603 180054291 /nfs/dbraw/zinc/05/42/91/180054291.db2.gz IBXPSRDJNLMIPN-OMNBBPDLSA-N 2 1 294.414 2.352 20 0 CEADMP C[N@H+]1CC[C@@H](NC[C@H]2CCCC[NH+](C)C2)[C@H]2CCC[C@@H]21 ZINC000624124192 350201266 /nfs/dbraw/zinc/20/12/66/350201266.db2.gz ZSMDJPDIIBNAAG-VQHPVUNQSA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@H]2CCCC[N@H+](C)C2)[C@H]2CCC[C@@H]21 ZINC000624124192 350201268 /nfs/dbraw/zinc/20/12/68/350201268.db2.gz ZSMDJPDIIBNAAG-VQHPVUNQSA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@H]2CCCC[N@@H+](C)C2)[C@H]2CCC[C@@H]21 ZINC000624124192 350201270 /nfs/dbraw/zinc/20/12/70/350201270.db2.gz ZSMDJPDIIBNAAG-VQHPVUNQSA-N 2 1 279.472 2.181 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)[C@H]2CCC[C@@H]21 ZINC000624124192 350201272 /nfs/dbraw/zinc/20/12/72/350201272.db2.gz ZSMDJPDIIBNAAG-VQHPVUNQSA-N 3 1 279.472 2.181 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)[C@H]2CCC[C@@H]21 ZINC000624124192 350201273 /nfs/dbraw/zinc/20/12/73/350201273.db2.gz ZSMDJPDIIBNAAG-VQHPVUNQSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)[C@H]2CCC[C@@H]21 ZINC000624124192 350201275 /nfs/dbraw/zinc/20/12/75/350201275.db2.gz ZSMDJPDIIBNAAG-VQHPVUNQSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@H]2CCC[C@@H]21 ZINC000624124192 350201278 /nfs/dbraw/zinc/20/12/78/350201278.db2.gz ZSMDJPDIIBNAAG-VQHPVUNQSA-N 3 1 279.472 2.181 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000105443124 186057189 /nfs/dbraw/zinc/05/71/89/186057189.db2.gz YSPJBLVSWKWFMF-SNVBAGLBSA-N 2 1 264.398 2.382 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc(C)ccc1O ZINC000105442719 186057218 /nfs/dbraw/zinc/05/72/18/186057218.db2.gz DKUQJPANDUODTL-LLVKDONJSA-N 2 1 274.368 2.026 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCCOC1 ZINC000352185185 219348658 /nfs/dbraw/zinc/34/86/58/219348658.db2.gz AHXFKFVCGDSMHK-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCCOC1 ZINC000352185185 219348661 /nfs/dbraw/zinc/34/86/61/219348661.db2.gz AHXFKFVCGDSMHK-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP COC[C@@H](C)C[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000568956225 299168024 /nfs/dbraw/zinc/16/80/24/299168024.db2.gz YERXZYHQNHYNOR-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1(CO)CCC1 ZINC000339736489 215319453 /nfs/dbraw/zinc/31/94/53/215319453.db2.gz FDPFMFTYAFHVEZ-CABCVRRESA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2)CC[C@@H]1[NH3+] ZINC000147469446 539799149 /nfs/dbraw/zinc/79/91/49/539799149.db2.gz PJGAHURPVGQVNG-CJNGLKHVSA-N 2 1 278.396 2.133 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000106868482 186144045 /nfs/dbraw/zinc/14/40/45/186144045.db2.gz CCRBKEXTTUJEOJ-VXGBXAGGSA-N 2 1 251.399 2.168 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000106868482 186144047 /nfs/dbraw/zinc/14/40/47/186144047.db2.gz CCRBKEXTTUJEOJ-VXGBXAGGSA-N 2 1 251.399 2.168 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130549816 365968441 /nfs/dbraw/zinc/96/84/41/365968441.db2.gz XYWLTBVWPXHFSV-KGLIPLIRSA-N 2 1 294.443 2.207 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130549816 365968447 /nfs/dbraw/zinc/96/84/47/365968447.db2.gz XYWLTBVWPXHFSV-KGLIPLIRSA-N 2 1 294.443 2.207 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000107619832 186181871 /nfs/dbraw/zinc/18/18/71/186181871.db2.gz CELQPJZELZHQHQ-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000130608918 365974088 /nfs/dbraw/zinc/97/40/88/365974088.db2.gz BTLCDMKOOYSKKX-ZNMIVQPWSA-N 2 1 290.407 2.263 20 0 CEADMP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cnn1C(C)(C)C ZINC000629523769 351388661 /nfs/dbraw/zinc/38/86/61/351388661.db2.gz IWLRCDRAWXNPQT-GFCCVEGCSA-N 2 1 294.443 2.105 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2CC)C12CCCC2 ZINC000629527417 351391809 /nfs/dbraw/zinc/39/18/09/351391809.db2.gz VIQHKQBNYKGYNG-XGUBFFRZSA-N 2 1 266.429 2.454 20 0 CEADMP CCC[C@H](C)CCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000629535099 351398385 /nfs/dbraw/zinc/39/83/85/351398385.db2.gz DNSHADYKKIEBMV-HOTGVXAUSA-N 2 1 267.461 2.182 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)c(F)c2)CCOCC1 ZINC000629386921 351345009 /nfs/dbraw/zinc/34/50/09/351345009.db2.gz ALWPWPHCVFZWMV-UHFFFAOYSA-N 2 1 272.751 2.077 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000629390226 351347299 /nfs/dbraw/zinc/34/72/99/351347299.db2.gz AYXPZEFJCWQINE-VHDGCEQUSA-N 2 1 292.423 2.365 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1F ZINC000070074226 363026980 /nfs/dbraw/zinc/02/69/80/363026980.db2.gz CCXPQUFJBWTQLF-LBPRGKRZSA-N 2 1 266.360 2.395 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](CCOCC2CC2)CC1 ZINC000119235417 186811910 /nfs/dbraw/zinc/81/19/10/186811910.db2.gz VNSFMGPTOBDFDJ-UHFFFAOYSA-N 2 1 277.412 2.101 20 0 CEADMP CC[N@H+](Cc1ccc(COC)o1)[C@H]1CCC[NH2+]CC1 ZINC000629647418 351445766 /nfs/dbraw/zinc/44/57/66/351445766.db2.gz UIPZRPNJOWNBOC-ZDUSSCGKSA-N 2 1 266.385 2.390 20 0 CEADMP CC[N@@H+](Cc1ccc(COC)o1)[C@H]1CCC[NH2+]CC1 ZINC000629647418 351445769 /nfs/dbraw/zinc/44/57/69/351445769.db2.gz UIPZRPNJOWNBOC-ZDUSSCGKSA-N 2 1 266.385 2.390 20 0 CEADMP Cc1cnccc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000629648683 351446953 /nfs/dbraw/zinc/44/69/53/351446953.db2.gz ZKLDGPZCTNQVRF-UHFFFAOYSA-N 2 1 270.380 2.055 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000629650521 351448716 /nfs/dbraw/zinc/44/87/16/351448716.db2.gz VHTJCBUXUKUKMZ-IUODEOHRSA-N 2 1 258.365 2.274 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000629650521 351448718 /nfs/dbraw/zinc/44/87/18/351448718.db2.gz VHTJCBUXUKUKMZ-IUODEOHRSA-N 2 1 258.365 2.274 20 0 CEADMP CC(C)[C@@H]1CN(CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000629651429 351449924 /nfs/dbraw/zinc/44/99/24/351449924.db2.gz QEJJTFWHOXUTFP-KRWDZBQOSA-N 2 1 275.440 2.178 20 0 CEADMP Cc1nc2ccc(C[NH2+]CC3([NH3+])CCOCC3)cc2s1 ZINC000629655268 351452141 /nfs/dbraw/zinc/45/21/41/351452141.db2.gz UXVMXJRMIKWPTL-UHFFFAOYSA-N 2 1 291.420 2.202 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1ccccc1Cl ZINC000629568234 351417355 /nfs/dbraw/zinc/41/73/55/351417355.db2.gz OVWASNPYANTWDE-UHFFFAOYSA-N 2 1 256.777 2.008 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccccc1Cl ZINC000629568234 351417358 /nfs/dbraw/zinc/41/73/58/351417358.db2.gz OVWASNPYANTWDE-UHFFFAOYSA-N 2 1 256.777 2.008 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(C)nc2ccccc12 ZINC000629570833 351419229 /nfs/dbraw/zinc/41/92/29/351419229.db2.gz NKOWLYLRFLCLOZ-UHFFFAOYSA-N 2 1 287.407 2.211 20 0 CEADMP C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000629579814 351420316 /nfs/dbraw/zinc/42/03/16/351420316.db2.gz IVDMBNCMYHBGOJ-DGCLKSJQSA-N 2 1 294.361 2.418 20 0 CEADMP C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000629579814 351420322 /nfs/dbraw/zinc/42/03/22/351420322.db2.gz IVDMBNCMYHBGOJ-DGCLKSJQSA-N 2 1 294.361 2.418 20 0 CEADMP Cc1ccc(-c2nc(C[N@H+](C)CCOCC[NH3+])co2)cc1 ZINC000629578769 351420521 /nfs/dbraw/zinc/42/05/21/351420521.db2.gz FTEZEFIMEODYAU-UHFFFAOYSA-N 2 1 289.379 2.057 20 0 CEADMP Cc1ccc(-c2nc(C[N@@H+](C)CCOCC[NH3+])co2)cc1 ZINC000629578769 351420522 /nfs/dbraw/zinc/42/05/22/351420522.db2.gz FTEZEFIMEODYAU-UHFFFAOYSA-N 2 1 289.379 2.057 20 0 CEADMP CCc1cccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000070170613 363044129 /nfs/dbraw/zinc/04/41/29/363044129.db2.gz PZCVFTDDMVTDMO-HNNXBMFYSA-N 2 1 289.423 2.248 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000070170791 363044132 /nfs/dbraw/zinc/04/41/32/363044132.db2.gz FXWDFMLKDWHBPA-HNNXBMFYSA-N 2 1 284.407 2.433 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1F ZINC000070171112 363044713 /nfs/dbraw/zinc/04/47/13/363044713.db2.gz XESLVESKMHENMF-CYBMUJFWSA-N 2 1 293.386 2.133 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000070173955 363047431 /nfs/dbraw/zinc/04/74/31/363047431.db2.gz LDYLTZBNVXENQG-STQMWFEESA-N 2 1 293.386 2.214 20 0 CEADMP COc1ccc(OCC[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070174750 363048349 /nfs/dbraw/zinc/04/83/49/363048349.db2.gz GOAISKBDONRDSE-ZIAGYGMSSA-N 2 1 278.396 2.133 20 0 CEADMP CC(C)[C@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCCO1 ZINC000339824306 215352808 /nfs/dbraw/zinc/35/28/08/215352808.db2.gz COBWBKITXBDOCU-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)[C@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC000339824306 215352810 /nfs/dbraw/zinc/35/28/10/215352810.db2.gz COBWBKITXBDOCU-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)[C@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCCO1 ZINC000339824306 215352813 /nfs/dbraw/zinc/35/28/13/215352813.db2.gz COBWBKITXBDOCU-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[NH+](C)C1CCC1 ZINC000629949289 351548854 /nfs/dbraw/zinc/54/88/54/351548854.db2.gz OVQPNNANLBOMLD-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)C[N@H+](C)C1CCC1 ZINC000629949289 351548858 /nfs/dbraw/zinc/54/88/58/351548858.db2.gz OVQPNNANLBOMLD-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC000629949289 351548862 /nfs/dbraw/zinc/54/88/62/351548862.db2.gz OVQPNNANLBOMLD-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP COc1ccc(CC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000131236864 366034026 /nfs/dbraw/zinc/03/40/26/366034026.db2.gz PLINKZJHJUODEP-UAGQMJEPSA-N 2 1 274.408 2.297 20 0 CEADMP CC(C)[NH+]1CCC(NCc2ncc(C[NH+](C)C)s2)CC1 ZINC000352255887 219383108 /nfs/dbraw/zinc/38/31/08/219383108.db2.gz CNKKQNKHYLQAHM-UHFFFAOYSA-N 2 1 296.484 2.167 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000131427239 366053156 /nfs/dbraw/zinc/05/31/56/366053156.db2.gz MDSRCCXUAMMGGT-ZBFHGGJFSA-N 2 1 288.439 2.112 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000630537639 351776648 /nfs/dbraw/zinc/77/66/48/351776648.db2.gz QGDRVLNURZZTPJ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000630537639 351776652 /nfs/dbraw/zinc/77/66/52/351776652.db2.gz QGDRVLNURZZTPJ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000630537639 351776654 /nfs/dbraw/zinc/77/66/54/351776654.db2.gz QGDRVLNURZZTPJ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCOc1ccccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291731773 198072692 /nfs/dbraw/zinc/07/26/92/198072692.db2.gz NWXWSEFHOCJQNH-ZDUSSCGKSA-N 2 1 250.386 2.373 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000631044178 351935858 /nfs/dbraw/zinc/93/58/58/351935858.db2.gz LXBKOZUZKODVKU-CQSZACIVSA-N 2 1 289.423 2.467 20 0 CEADMP COc1cncc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000631056808 351941343 /nfs/dbraw/zinc/94/13/43/351941343.db2.gz TZIVDMSRXZADJH-CQSZACIVSA-N 2 1 277.412 2.219 20 0 CEADMP COc1cncc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1C ZINC000631056808 351941345 /nfs/dbraw/zinc/94/13/45/351941345.db2.gz TZIVDMSRXZADJH-CQSZACIVSA-N 2 1 277.412 2.219 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631056783 351941379 /nfs/dbraw/zinc/94/13/79/351941379.db2.gz SFJJRZMFXNXVDV-SNVBAGLBSA-N 2 1 257.328 2.449 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccnn1C ZINC000631195358 352010832 /nfs/dbraw/zinc/01/08/32/352010832.db2.gz FRWDTYWDPPCTKG-WBVHZDCISA-N 2 1 298.434 2.278 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccnn1C ZINC000631195358 352010834 /nfs/dbraw/zinc/01/08/34/352010834.db2.gz FRWDTYWDPPCTKG-WBVHZDCISA-N 2 1 298.434 2.278 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCn3nccc32)CC1(C)C ZINC000631299237 352060310 /nfs/dbraw/zinc/06/03/10/352060310.db2.gz WSZVUENWSCEBJG-OLZOCXBDSA-N 2 1 262.401 2.180 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCn3nccc32)CC1(C)C ZINC000631299237 352060314 /nfs/dbraw/zinc/06/03/14/352060314.db2.gz WSZVUENWSCEBJG-OLZOCXBDSA-N 2 1 262.401 2.180 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000071297822 363108618 /nfs/dbraw/zinc/10/86/18/363108618.db2.gz AVQZCVYMDZUKEA-ZIAGYGMSSA-N 2 1 270.417 2.169 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1([NH3+])CCCC1 ZINC000237496273 539852836 /nfs/dbraw/zinc/85/28/36/539852836.db2.gz KNEQRUGQYTVIDM-AWEZNQCLSA-N 2 1 281.444 2.029 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000252560769 539878609 /nfs/dbraw/zinc/87/86/09/539878609.db2.gz VYTVMAYTDIEPOM-ZFWWWQNUSA-N 2 1 259.397 2.390 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000252560769 539878611 /nfs/dbraw/zinc/87/86/11/539878611.db2.gz VYTVMAYTDIEPOM-ZFWWWQNUSA-N 2 1 259.397 2.390 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-n2ccnc2)CC[N@H+]1C ZINC000152219784 188002825 /nfs/dbraw/zinc/00/28/25/188002825.db2.gz RQFRJZSODCIGKP-GOEBONIOSA-N 2 1 284.407 2.445 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)CCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000152448407 188019425 /nfs/dbraw/zinc/01/94/25/188019425.db2.gz GTFJILXZIKSXRT-OAHLLOKOSA-N 2 1 274.408 2.395 20 0 CEADMP C[NH+](Cc1ccc2c(c1)CCO2)C[C@@H]1CCC[N@H+](C)C1 ZINC000152448407 188019426 /nfs/dbraw/zinc/01/94/26/188019426.db2.gz GTFJILXZIKSXRT-OAHLLOKOSA-N 2 1 274.408 2.395 20 0 CEADMP C[NH+](Cc1ccc2c(c1)CCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152448407 188019427 /nfs/dbraw/zinc/01/94/27/188019427.db2.gz GTFJILXZIKSXRT-OAHLLOKOSA-N 2 1 274.408 2.395 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000494565204 290980029 /nfs/dbraw/zinc/98/00/29/290980029.db2.gz MNLQVBIJPQQSLV-KGLIPLIRSA-N 2 1 251.349 2.183 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cc(OC)ccc2OC)CC[C@H]1[NH3+] ZINC000251534921 539976469 /nfs/dbraw/zinc/97/64/69/539976469.db2.gz AMVFWVHQFPBHQY-SWLSCSKDSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cc(OC)ccc2OC)CC[C@H]1[NH3+] ZINC000251534921 539976474 /nfs/dbraw/zinc/97/64/74/539976474.db2.gz AMVFWVHQFPBHQY-SWLSCSKDSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@@H]1C[N@H+](CCOc2ccccc2F)CC[C@H]1[NH3+] ZINC000251541742 539976496 /nfs/dbraw/zinc/97/64/96/539976496.db2.gz ATRREGDGRDAUKU-TZMCWYRMSA-N 2 1 266.360 2.264 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOc2ccccc2F)CC[C@H]1[NH3+] ZINC000251541742 539976498 /nfs/dbraw/zinc/97/64/98/539976498.db2.gz ATRREGDGRDAUKU-TZMCWYRMSA-N 2 1 266.360 2.264 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000518381558 260391955 /nfs/dbraw/zinc/39/19/55/260391955.db2.gz WFSWFVFXMHUKDG-OAHLLOKOSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)[C@@H]1C ZINC000495000034 291010946 /nfs/dbraw/zinc/01/09/46/291010946.db2.gz SZELDDQXKGVTIE-KBUPBQIOSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)[C@@H]1C ZINC000495000034 291010949 /nfs/dbraw/zinc/01/09/49/291010949.db2.gz SZELDDQXKGVTIE-KBUPBQIOSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@H+](C/C=C/c1ccncc1)C[C@H]1CCC[NH+](C)C1 ZINC000495056197 291014019 /nfs/dbraw/zinc/01/40/19/291014019.db2.gz BXWFKZJTASSZEU-LLCTXKFZSA-N 2 1 259.397 2.368 20 0 CEADMP C[N@@H+](C/C=C/c1ccncc1)C[C@H]1CCC[NH+](C)C1 ZINC000495056197 291014021 /nfs/dbraw/zinc/01/40/21/291014021.db2.gz BXWFKZJTASSZEU-LLCTXKFZSA-N 2 1 259.397 2.368 20 0 CEADMP C[NH+](C/C=C/c1ccncc1)C[C@H]1CCC[N@H+](C)C1 ZINC000495056197 291014025 /nfs/dbraw/zinc/01/40/25/291014025.db2.gz BXWFKZJTASSZEU-LLCTXKFZSA-N 2 1 259.397 2.368 20 0 CEADMP C[NH+](C/C=C/c1ccncc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000495056197 291014029 /nfs/dbraw/zinc/01/40/29/291014029.db2.gz BXWFKZJTASSZEU-LLCTXKFZSA-N 2 1 259.397 2.368 20 0 CEADMP CC[C@H](C)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000337309300 366138431 /nfs/dbraw/zinc/13/84/31/366138431.db2.gz YZFASWXBSFTKFA-ARFHVFGLSA-N 2 1 298.471 2.375 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000337390030 366145521 /nfs/dbraw/zinc/14/55/21/366145521.db2.gz KHYJJXJGMYFNRL-CAOSSQGBSA-N 2 1 266.429 2.408 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000337390030 366145523 /nfs/dbraw/zinc/14/55/23/366145523.db2.gz KHYJJXJGMYFNRL-CAOSSQGBSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)[C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)C[C@@H]21 ZINC000379537754 540117798 /nfs/dbraw/zinc/11/77/98/540117798.db2.gz CSWCGBATHDPFJH-IYBDPMFKSA-N 2 1 256.393 2.420 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271819449 191347526 /nfs/dbraw/zinc/34/75/26/191347526.db2.gz NFORLUAYKRAWFG-HNNXBMFYSA-N 2 1 286.423 2.347 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271819449 191347529 /nfs/dbraw/zinc/34/75/29/191347529.db2.gz NFORLUAYKRAWFG-HNNXBMFYSA-N 2 1 286.423 2.347 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271819449 191347531 /nfs/dbraw/zinc/34/75/31/191347531.db2.gz NFORLUAYKRAWFG-HNNXBMFYSA-N 2 1 286.423 2.347 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271819449 191347534 /nfs/dbraw/zinc/34/75/34/191347534.db2.gz NFORLUAYKRAWFG-HNNXBMFYSA-N 2 1 286.423 2.347 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOc1ccccc1F)C2 ZINC000380715687 540136157 /nfs/dbraw/zinc/13/61/57/540136157.db2.gz ISJFXZRRZHLFBY-BBRMVZONSA-N 2 1 278.371 2.265 20 0 CEADMP CN(C)C(=O)OC[C@H]1CCCCN1CC[C@H]1CCC[N@H+]1C ZINC000495689620 291065827 /nfs/dbraw/zinc/06/58/27/291065827.db2.gz UPUMLVFMWLAEHF-HUUCEWRRSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000495689620 291065830 /nfs/dbraw/zinc/06/58/30/291065830.db2.gz UPUMLVFMWLAEHF-HUUCEWRRSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000495689620 291065833 /nfs/dbraw/zinc/06/58/33/291065833.db2.gz UPUMLVFMWLAEHF-HUUCEWRRSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)OC[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000495689620 291065836 /nfs/dbraw/zinc/06/58/36/291065836.db2.gz UPUMLVFMWLAEHF-HUUCEWRRSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)OC[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000495689620 291065839 /nfs/dbraw/zinc/06/58/39/291065839.db2.gz UPUMLVFMWLAEHF-HUUCEWRRSA-N 2 1 297.443 2.023 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000341379505 283101816 /nfs/dbraw/zinc/10/18/16/283101816.db2.gz UFWJOFMNIDEWOT-WXRRBKDZSA-N 2 1 294.361 2.011 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000341379505 283101817 /nfs/dbraw/zinc/10/18/17/283101817.db2.gz UFWJOFMNIDEWOT-WXRRBKDZSA-N 2 1 294.361 2.011 20 0 CEADMP Cc1ccnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000683013313 540172303 /nfs/dbraw/zinc/17/23/03/540172303.db2.gz GWLWBRHIBJOFCP-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000683013313 540172304 /nfs/dbraw/zinc/17/23/04/540172304.db2.gz GWLWBRHIBJOFCP-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccnc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000683013313 540172308 /nfs/dbraw/zinc/17/23/08/540172308.db2.gz GWLWBRHIBJOFCP-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccnc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000683013313 540172311 /nfs/dbraw/zinc/17/23/11/540172311.db2.gz GWLWBRHIBJOFCP-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@](C)(CO)c1ccccc1 ZINC000683140594 540175303 /nfs/dbraw/zinc/17/53/03/540175303.db2.gz BEXTUSIBSSYDGU-MRXNPFEDSA-N 2 1 264.413 2.216 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000353533353 283138672 /nfs/dbraw/zinc/13/86/72/283138672.db2.gz RFDTVAFENJPBFL-KBXIAJHMSA-N 2 1 268.445 2.246 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cnn(C)c1C ZINC000684108044 540225008 /nfs/dbraw/zinc/22/50/08/540225008.db2.gz ZTBWGZOWBJQYBS-UHFFFAOYSA-N 2 1 275.400 2.146 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cnn(C)c1C ZINC000684108044 540225011 /nfs/dbraw/zinc/22/50/11/540225011.db2.gz ZTBWGZOWBJQYBS-UHFFFAOYSA-N 2 1 275.400 2.146 20 0 CEADMP CC(C)[C@H](O)C1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000273554649 192201289 /nfs/dbraw/zinc/20/12/89/192201289.db2.gz CZCGRCHTOFEPHY-HNNXBMFYSA-N 2 1 277.412 2.034 20 0 CEADMP CCC1(CC)CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000338294723 366279485 /nfs/dbraw/zinc/27/94/85/366279485.db2.gz MVGJKQJWFOTLFI-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000338298150 366280261 /nfs/dbraw/zinc/28/02/61/366280261.db2.gz TWQYNRORMLBIBQ-MGPQQGTHSA-N 2 1 270.417 2.038 20 0 CEADMP CCOC1CC(C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000452097368 283185874 /nfs/dbraw/zinc/18/58/74/283185874.db2.gz QLCALVBFAIJVGT-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCO[C@H]1CCCCO1 ZINC000452100035 283187021 /nfs/dbraw/zinc/18/70/21/283187021.db2.gz YKUJZKWSDOPVRV-HNNXBMFYSA-N 2 1 284.444 2.384 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[NH+](CC)C[C@H]1C ZINC000353492201 283188487 /nfs/dbraw/zinc/18/84/87/283188487.db2.gz UBIFZOWRHXWDDI-PMPSAXMXSA-N 2 1 269.477 2.427 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000353492201 283188489 /nfs/dbraw/zinc/18/84/89/283188489.db2.gz UBIFZOWRHXWDDI-PMPSAXMXSA-N 2 1 269.477 2.427 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000353492201 283188491 /nfs/dbraw/zinc/18/84/91/283188491.db2.gz UBIFZOWRHXWDDI-PMPSAXMXSA-N 2 1 269.477 2.427 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452174449 283214006 /nfs/dbraw/zinc/21/40/06/283214006.db2.gz QCONRAZUVBZFKH-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)CCO1 ZINC000575907373 366373147 /nfs/dbraw/zinc/37/31/47/366373147.db2.gz CSJXOIIXJDTMAY-KLHDSHLOSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)CCO1 ZINC000575907373 366373152 /nfs/dbraw/zinc/37/31/52/366373152.db2.gz CSJXOIIXJDTMAY-KLHDSHLOSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)CCO1 ZINC000575907373 366373158 /nfs/dbraw/zinc/37/31/58/366373158.db2.gz CSJXOIIXJDTMAY-KLHDSHLOSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CCO1 ZINC000575907373 366373164 /nfs/dbraw/zinc/37/31/64/366373164.db2.gz CSJXOIIXJDTMAY-KLHDSHLOSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]1CC(CC[NH2+]C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000338480413 366376456 /nfs/dbraw/zinc/37/64/56/366376456.db2.gz IROHRINSFJTGJQ-CHWSQXEVSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ncc[nH]1 ZINC000353462363 540315192 /nfs/dbraw/zinc/31/51/92/540315192.db2.gz JBKBDKWUFFOVKZ-HZSPNIEDSA-N 2 1 264.417 2.428 20 0 CEADMP C[C@H](CN[C@H](C)c1ncc[nH]1)[N@H+]1CCC[C@@H](C)C1 ZINC000353460836 540315530 /nfs/dbraw/zinc/31/55/30/540315530.db2.gz LPVYNGRMZOUPOQ-JHJVBQTASA-N 2 1 250.390 2.181 20 0 CEADMP C[NH+](C)CCC1CC[NH+](Cc2nccs2)CC1 ZINC000135000859 366384572 /nfs/dbraw/zinc/38/45/72/366384572.db2.gz IXEKZSBPVASTED-UHFFFAOYSA-N 2 1 253.415 2.307 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000340715676 215698258 /nfs/dbraw/zinc/69/82/58/215698258.db2.gz XIJUTGBITUWFKX-YQQAZPJKSA-N 2 1 295.471 2.003 20 0 CEADMP CCOC(=O)N1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000496300537 291126234 /nfs/dbraw/zinc/12/62/34/291126234.db2.gz CAKVQNMIBAFNMX-UHFFFAOYSA-N 2 1 297.443 2.071 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nccc(N)n2)CC1 ZINC000134996477 366384969 /nfs/dbraw/zinc/38/49/69/366384969.db2.gz IPHQSJCBQKAOIE-UHFFFAOYSA-N 2 1 291.443 2.003 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nccc(N)n2)CC1 ZINC000134996477 366384977 /nfs/dbraw/zinc/38/49/77/366384977.db2.gz IPHQSJCBQKAOIE-UHFFFAOYSA-N 2 1 291.443 2.003 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000358708131 540375413 /nfs/dbraw/zinc/37/54/13/540375413.db2.gz ASGAHCNISIVWCL-ZDUSSCGKSA-N 2 1 296.484 2.432 20 0 CEADMP C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000390555587 540391615 /nfs/dbraw/zinc/39/16/15/540391615.db2.gz IFEMBALAZRZXKP-HYVNUMGLSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000390555587 540391617 /nfs/dbraw/zinc/39/16/17/540391617.db2.gz IFEMBALAZRZXKP-HYVNUMGLSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)CC[N@H+]1C ZINC000335384752 291145356 /nfs/dbraw/zinc/14/53/56/291145356.db2.gz ZNEJTCVRLSTBSY-QRNKSROTSA-N 2 1 265.445 2.076 20 0 CEADMP CCn1nc(C)c(C[NH2+]CC2([NH3+])CCCCC2)c1C ZINC000414841783 236513736 /nfs/dbraw/zinc/51/37/36/236513736.db2.gz MAMLBXFJAKJWPZ-UHFFFAOYSA-N 2 1 264.417 2.271 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc(C2CCC2)s1 ZINC000414952681 236572257 /nfs/dbraw/zinc/57/22/57/236572257.db2.gz IPFZXCBIQJMERH-GXFFZTMASA-N 2 1 265.426 2.498 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C)C(C)(C)C1 ZINC000578080031 366441440 /nfs/dbraw/zinc/44/14/40/366441440.db2.gz KIXXMKQHECEUEO-OAHLLOKOSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@H+](C)C(C)(C)C1 ZINC000578080031 366441445 /nfs/dbraw/zinc/44/14/45/366441445.db2.gz KIXXMKQHECEUEO-OAHLLOKOSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000578080031 366441447 /nfs/dbraw/zinc/44/14/47/366441447.db2.gz KIXXMKQHECEUEO-OAHLLOKOSA-N 2 1 267.461 2.275 20 0 CEADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000578185531 366455295 /nfs/dbraw/zinc/45/52/95/366455295.db2.gz RFJGUBOJJPFQGX-ZFWWWQNUSA-N 2 1 275.396 2.135 20 0 CEADMP CCOC(=O)N[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)CC(C)C ZINC000496707066 291162960 /nfs/dbraw/zinc/16/29/60/291162960.db2.gz FXUASDRGOIRKJS-RBSFLKMASA-N 2 1 299.459 2.267 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccc(C)cc1 ZINC000578334204 366478934 /nfs/dbraw/zinc/47/89/34/366478934.db2.gz CPTFUUOIEGTLRX-IRXDYDNUSA-N 2 1 276.424 2.445 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccc(C)cc1 ZINC000578334204 366478942 /nfs/dbraw/zinc/47/89/42/366478942.db2.gz CPTFUUOIEGTLRX-IRXDYDNUSA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000578334204 366478948 /nfs/dbraw/zinc/47/89/48/366478948.db2.gz CPTFUUOIEGTLRX-IRXDYDNUSA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000578334204 366478954 /nfs/dbraw/zinc/47/89/54/366478954.db2.gz CPTFUUOIEGTLRX-IRXDYDNUSA-N 2 1 276.424 2.445 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417355598 237095392 /nfs/dbraw/zinc/09/53/92/237095392.db2.gz OFINWCLOSYRCBX-BGTYHANMSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417355598 237095402 /nfs/dbraw/zinc/09/54/02/237095402.db2.gz OFINWCLOSYRCBX-BGTYHANMSA-N 2 1 288.435 2.400 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667681339 540518907 /nfs/dbraw/zinc/51/89/07/540518907.db2.gz GSOJVHLOPQGWAQ-HNNXBMFYSA-N 2 1 299.422 2.041 20 0 CEADMP CCOC[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667686459 540519442 /nfs/dbraw/zinc/51/94/42/540519442.db2.gz GJJWVYBOUKWSHR-AWEZNQCLSA-N 2 1 286.379 2.126 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000453091489 283469687 /nfs/dbraw/zinc/46/96/87/283469687.db2.gz DFGFVTRWIGIFNH-CWRNSKLLSA-N 2 1 296.842 2.488 20 0 CEADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000672901948 540644614 /nfs/dbraw/zinc/64/46/14/540644614.db2.gz FYGQEUKTOVJCEH-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1cn[nH]c1 ZINC000297557840 200226883 /nfs/dbraw/zinc/22/68/83/200226883.db2.gz GZBOHHYEOYAVFR-UHFFFAOYSA-N 2 1 275.400 2.123 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1cn[nH]c1 ZINC000297557840 200226885 /nfs/dbraw/zinc/22/68/85/200226885.db2.gz GZBOHHYEOYAVFR-UHFFFAOYSA-N 2 1 275.400 2.123 20 0 CEADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058068 296001539 /nfs/dbraw/zinc/00/15/39/296001539.db2.gz RETYEUIQMBQRFB-QKPAOTATSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058068 296001540 /nfs/dbraw/zinc/00/15/40/296001540.db2.gz RETYEUIQMBQRFB-QKPAOTATSA-N 3 1 267.461 2.214 20 0 CEADMP COC1(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CCC1 ZINC000339023957 366617319 /nfs/dbraw/zinc/61/73/19/366617319.db2.gz VKNQLPFTIOQSAZ-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCCc2c[nH+]cn2C)C12CCC2 ZINC000579124276 366597992 /nfs/dbraw/zinc/59/79/92/366597992.db2.gz HZNXMEPKOLZVIN-LSDHHAIUSA-N 2 1 277.412 2.290 20 0 CEADMP COC1(CC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CCC1 ZINC000339045607 366629285 /nfs/dbraw/zinc/62/92/85/366629285.db2.gz XEKDVBMUNBZGLQ-HRCADAONSA-N 2 1 296.455 2.129 20 0 CEADMP COCCOc1cccc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000579408234 366641684 /nfs/dbraw/zinc/64/16/84/366641684.db2.gz UMCGJKDXHVIQFN-UHFFFAOYSA-N 2 1 280.412 2.095 20 0 CEADMP COCCOc1cccc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000579408234 366641689 /nfs/dbraw/zinc/64/16/89/366641689.db2.gz UMCGJKDXHVIQFN-UHFFFAOYSA-N 2 1 280.412 2.095 20 0 CEADMP C(C1CC1)[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339077000 366642865 /nfs/dbraw/zinc/64/28/65/366642865.db2.gz XJTKHIDOUDCWIX-DLBZAZTESA-N 2 1 277.456 2.077 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000151905283 366674292 /nfs/dbraw/zinc/67/42/92/366674292.db2.gz WFBXOSZKUXAUTE-HNNXBMFYSA-N 3 1 293.455 2.229 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000298165999 200349990 /nfs/dbraw/zinc/34/99/90/200349990.db2.gz LWIVVIGFERHMFY-SFHVURJKSA-N 2 1 290.451 2.395 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)OC(C)(C)C)C1 ZINC000081569940 363729469 /nfs/dbraw/zinc/72/94/69/363729469.db2.gz LNNRREQQPXXOFY-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)OC(C)(C)C)C1 ZINC000081569940 363729481 /nfs/dbraw/zinc/72/94/81/363729481.db2.gz LNNRREQQPXXOFY-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)OC(C)(C)C)C1 ZINC000081569940 363729484 /nfs/dbraw/zinc/72/94/84/363729484.db2.gz LNNRREQQPXXOFY-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)OC(C)(C)C)C1 ZINC000081569940 363729488 /nfs/dbraw/zinc/72/94/88/363729488.db2.gz LNNRREQQPXXOFY-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000674067627 540721618 /nfs/dbraw/zinc/72/16/18/540721618.db2.gz LXXHJAQEJDERIK-WMLDXEAASA-N 2 1 284.407 2.410 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000674067627 540721620 /nfs/dbraw/zinc/72/16/20/540721620.db2.gz LXXHJAQEJDERIK-WMLDXEAASA-N 2 1 284.407 2.410 20 0 CEADMP C(CC[N@H+]1C[C@@H]2C[C@H]1CS2)C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000579682963 366682409 /nfs/dbraw/zinc/68/24/09/366682409.db2.gz GQOBINQEAHCXRC-XUXIUFHCSA-N 2 1 284.494 2.146 20 0 CEADMP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000353071438 219845412 /nfs/dbraw/zinc/84/54/12/219845412.db2.gz JPVUDKLSCSXLET-QGZVFWFLSA-N 2 1 288.435 2.259 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(CO)c(F)c1 ZINC000178563231 189126930 /nfs/dbraw/zinc/12/69/30/189126930.db2.gz FASULPLQVVUSBO-WQGACYEGSA-N 2 1 280.387 2.136 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(CO)c(F)c1 ZINC000178563231 189126931 /nfs/dbraw/zinc/12/69/31/189126931.db2.gz FASULPLQVVUSBO-WQGACYEGSA-N 2 1 280.387 2.136 20 0 CEADMP C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000674882688 540793771 /nfs/dbraw/zinc/79/37/71/540793771.db2.gz WMDFWUSVIBJFSP-FVQBIDKESA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000178662535 189135655 /nfs/dbraw/zinc/13/56/55/189135655.db2.gz LWGSWDZNGUOZOJ-KGLIPLIRSA-N 2 1 297.830 2.042 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](n2ccnc2)C1 ZINC000675496262 540847580 /nfs/dbraw/zinc/84/75/80/540847580.db2.gz RWBPUEIGGUUBQI-CVEARBPZSA-N 2 1 276.428 2.394 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000675496262 540847584 /nfs/dbraw/zinc/84/75/84/540847584.db2.gz RWBPUEIGGUUBQI-CVEARBPZSA-N 2 1 276.428 2.394 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000675496262 540847587 /nfs/dbraw/zinc/84/75/87/540847587.db2.gz RWBPUEIGGUUBQI-CVEARBPZSA-N 2 1 276.428 2.394 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnc(C)nc2C)C1 ZINC000675788482 540874280 /nfs/dbraw/zinc/87/42/80/540874280.db2.gz FFJVWOGKJFLUKU-IUODEOHRSA-N 2 1 276.428 2.476 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnc(C)nc2C)C1 ZINC000675788482 540874282 /nfs/dbraw/zinc/87/42/82/540874282.db2.gz FFJVWOGKJFLUKU-IUODEOHRSA-N 2 1 276.428 2.476 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000179634604 189208844 /nfs/dbraw/zinc/20/88/44/189208844.db2.gz XGSVPCDNRRYPME-AWEZNQCLSA-N 2 1 272.392 2.346 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000179634604 189208845 /nfs/dbraw/zinc/20/88/45/189208845.db2.gz XGSVPCDNRRYPME-AWEZNQCLSA-N 2 1 272.392 2.346 20 0 CEADMP CC(C)[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675883170 540878422 /nfs/dbraw/zinc/87/84/22/540878422.db2.gz XEKOYTKYMBWRMS-ZFWWWQNUSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@@H]1C ZINC000677189662 540990972 /nfs/dbraw/zinc/99/09/72/540990972.db2.gz AEMMXVHXBRVHLQ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@@H]1C ZINC000677189662 540990974 /nfs/dbraw/zinc/99/09/74/540990974.db2.gz AEMMXVHXBRVHLQ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc[nH]c1 ZINC000180984456 189285783 /nfs/dbraw/zinc/28/57/83/189285783.db2.gz ONCALMNFTRCLCF-GOSISDBHSA-N 2 1 299.418 2.261 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)s1 ZINC000677754969 541041854 /nfs/dbraw/zinc/04/18/54/541041854.db2.gz NXIWZZMWWRQICF-SECBINFHSA-N 2 1 250.371 2.307 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1OC ZINC000579837689 366712207 /nfs/dbraw/zinc/71/22/07/366712207.db2.gz MKHWQNRIKZDOMX-KRWDZBQOSA-N 2 1 290.407 2.279 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1OC ZINC000579837689 366712217 /nfs/dbraw/zinc/71/22/17/366712217.db2.gz MKHWQNRIKZDOMX-KRWDZBQOSA-N 2 1 290.407 2.279 20 0 CEADMP CCC[C@H](C[NH2+]CCCCn1cc[nH+]c1C)OC ZINC000638673880 370676733 /nfs/dbraw/zinc/67/67/33/370676733.db2.gz ARLTUEXNMNMGGV-CQSZACIVSA-N 2 1 253.390 2.376 20 0 CEADMP COc1cc(C[NH2+]CCCCn2cc[nH+]c2C)sn1 ZINC000638675725 370678714 /nfs/dbraw/zinc/67/87/14/370678714.db2.gz YRYLHJYMBLSVTQ-UHFFFAOYSA-N 2 1 280.397 2.227 20 0 CEADMP CCCC[N@@H+](CCCO)Cc1ccc(-n2ccnc2)nc1 ZINC000182146960 189315191 /nfs/dbraw/zinc/31/51/91/189315191.db2.gz CEYHMBVKGLQJCW-UHFFFAOYSA-N 2 1 288.395 2.252 20 0 CEADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340244509 366817793 /nfs/dbraw/zinc/81/77/93/366817793.db2.gz JOEFKXJEZHBIMS-IMJJTQAJSA-N 2 1 262.397 2.182 20 0 CEADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340244509 366817798 /nfs/dbraw/zinc/81/77/98/366817798.db2.gz JOEFKXJEZHBIMS-IMJJTQAJSA-N 2 1 262.397 2.182 20 0 CEADMP C1CC2(C1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)[C@@H]1CCO[C@H]12 ZINC000342542099 216391659 /nfs/dbraw/zinc/39/16/59/216391659.db2.gz NVRBYADXCMKRCT-IBEHDNSVSA-N 2 1 276.424 2.160 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ncccc2C(F)(F)F)CC1 ZINC000678941877 541194615 /nfs/dbraw/zinc/19/46/15/541194615.db2.gz UTIPFSUOUGSEMU-UHFFFAOYSA-N 2 1 285.313 2.452 20 0 CEADMP C[C@@H](CCCCO)[NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000679338954 541259681 /nfs/dbraw/zinc/25/96/81/541259681.db2.gz LAZFNOKSAMJDEE-FZKCQIBNSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@@H](CCCCO)[NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000679338954 541259685 /nfs/dbraw/zinc/25/96/85/541259685.db2.gz LAZFNOKSAMJDEE-FZKCQIBNSA-N 2 1 270.461 2.494 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cn(C)nc1C ZINC000087406676 363852893 /nfs/dbraw/zinc/85/28/93/363852893.db2.gz MRNSLJHWOBEICV-LBPRGKRZSA-N 2 1 252.406 2.111 20 0 CEADMP Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000679392083 541270224 /nfs/dbraw/zinc/27/02/24/541270224.db2.gz FRFSCUUIMXIYPL-HNNXBMFYSA-N 2 1 260.381 2.310 20 0 CEADMP Oc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000679392083 541270227 /nfs/dbraw/zinc/27/02/27/541270227.db2.gz FRFSCUUIMXIYPL-HNNXBMFYSA-N 2 1 260.381 2.310 20 0 CEADMP COCc1cccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000088555269 363907931 /nfs/dbraw/zinc/90/79/31/363907931.db2.gz ONSIFKQNDKZJOW-BBRMVZONSA-N 2 1 262.397 2.392 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)[nH]1 ZINC000093085153 364140093 /nfs/dbraw/zinc/14/00/93/364140093.db2.gz AKEDGZMRYMDYRZ-ZDUSSCGKSA-N 2 1 293.411 2.013 20 0 CEADMP CC[C@@H](C)C[N@@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000093251072 364155288 /nfs/dbraw/zinc/15/52/88/364155288.db2.gz NPAHLLGMUBRICH-SNVBAGLBSA-N 2 1 254.378 2.131 20 0 CEADMP C[C@@H](CC(=O)NCC[N@H+]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000237433011 370721484 /nfs/dbraw/zinc/72/14/84/370721484.db2.gz SCVFSPLDKXLPNZ-GJZGRUSLSA-N 2 1 295.471 2.003 20 0 CEADMP COc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000093513763 364194752 /nfs/dbraw/zinc/19/47/52/364194752.db2.gz YPTRDALAPXTVJJ-UKRRQHHQSA-N 2 1 277.412 2.491 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)CC[N@@H+]1C ZINC000093644835 364207213 /nfs/dbraw/zinc/20/72/13/364207213.db2.gz WVAWWXBXGHANPJ-RHSMWYFYSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)CC[N@H+]1C ZINC000093644835 364207214 /nfs/dbraw/zinc/20/72/14/364207214.db2.gz WVAWWXBXGHANPJ-RHSMWYFYSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cncn3)cc2)CC[NH+]1C ZINC000093644835 364207216 /nfs/dbraw/zinc/20/72/16/364207216.db2.gz WVAWWXBXGHANPJ-RHSMWYFYSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cncn3)cc2)CC[NH+]1C ZINC000093644835 364207218 /nfs/dbraw/zinc/20/72/18/364207218.db2.gz WVAWWXBXGHANPJ-RHSMWYFYSA-N 2 1 299.422 2.182 20 0 CEADMP CO[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC000638787829 370751158 /nfs/dbraw/zinc/75/11/58/370751158.db2.gz JJBYSODPRFVXKN-ZBFHGGJFSA-N 2 1 268.445 2.369 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2nc(C)ccc2O)C1 ZINC000093692972 364218750 /nfs/dbraw/zinc/21/87/50/364218750.db2.gz HEXVURKINXRXNX-CQSZACIVSA-N 2 1 277.412 2.259 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2nc(C)ccc2O)C1 ZINC000093692972 364218758 /nfs/dbraw/zinc/21/87/58/364218758.db2.gz HEXVURKINXRXNX-CQSZACIVSA-N 2 1 277.412 2.259 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000334819562 364274246 /nfs/dbraw/zinc/27/42/46/364274246.db2.gz IWLAAFSIBYRPET-WMLDXEAASA-N 2 1 273.424 2.386 20 0 CEADMP CCc1nc(C[N@@H+](C)CC2CC[NH2+]CC2)cs1 ZINC000094024327 364247490 /nfs/dbraw/zinc/24/74/90/364247490.db2.gz AAEFMTWKBOYCAH-UHFFFAOYSA-N 2 1 253.415 2.137 20 0 CEADMP Cc1ccccc1OCC[N@H+](C)CC1CC[NH2+]CC1 ZINC000094024424 364247717 /nfs/dbraw/zinc/24/77/17/364247717.db2.gz HKNKVFRCCIDWPT-UHFFFAOYSA-N 2 1 262.397 2.305 20 0 CEADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CC[N@@H+](C)C3)ccc21 ZINC000334746794 364259547 /nfs/dbraw/zinc/25/95/47/364259547.db2.gz CIKYSPBDHAKKFT-XJKSGUPXSA-N 2 1 287.407 2.126 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000094342157 364268863 /nfs/dbraw/zinc/26/88/63/364268863.db2.gz AITPULRQOCBYIW-TZMCWYRMSA-N 2 1 278.396 2.181 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000094342157 364268866 /nfs/dbraw/zinc/26/88/66/364268866.db2.gz AITPULRQOCBYIW-TZMCWYRMSA-N 2 1 278.396 2.181 20 0 CEADMP C[C@H]1C[N@@H+](CCSc2ccccc2)CC[C@@H]1[NH3+] ZINC000094341765 364269149 /nfs/dbraw/zinc/26/91/49/364269149.db2.gz ITZWWKWPJHBLOC-JSGCOSHPSA-N 2 1 250.411 2.448 20 0 CEADMP Nc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000237990543 370765957 /nfs/dbraw/zinc/76/59/57/370765957.db2.gz GTBMEUWVBBIJBY-HNNXBMFYSA-N 2 1 296.374 2.267 20 0 CEADMP Nc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000237990543 370765961 /nfs/dbraw/zinc/76/59/61/370765961.db2.gz GTBMEUWVBBIJBY-HNNXBMFYSA-N 2 1 296.374 2.267 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC3(CCOCC3)C2)CC[NH2+]1 ZINC000334882566 364284682 /nfs/dbraw/zinc/28/46/82/364284682.db2.gz PIKHKJIWYVKZQA-HUUCEWRRSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000335041307 364390231 /nfs/dbraw/zinc/39/02/31/364390231.db2.gz HAJCDDQFYICDHI-MFKMUULPSA-N 2 1 253.777 2.213 20 0 CEADMP Clc1ccccc1CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000680044878 541359225 /nfs/dbraw/zinc/35/92/25/541359225.db2.gz CNTBFBHXDFRLEG-OKILXGFUSA-N 2 1 264.800 2.424 20 0 CEADMP Clc1ccccc1CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000680044878 541359227 /nfs/dbraw/zinc/35/92/27/541359227.db2.gz CNTBFBHXDFRLEG-OKILXGFUSA-N 2 1 264.800 2.424 20 0 CEADMP CC[C@@H]1CCCCC[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000157320713 366842393 /nfs/dbraw/zinc/84/23/93/366842393.db2.gz XZTFAFBIWBDPPF-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP Fc1ccc(N2CCC([NH2+][C@@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000335180648 364586580 /nfs/dbraw/zinc/58/65/80/364586580.db2.gz NJEGPEQCMPFTBN-CQSZACIVSA-N 2 1 295.377 2.275 20 0 CEADMP CC[N@@H+](CCNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC000102479510 364597454 /nfs/dbraw/zinc/59/74/54/364597454.db2.gz PHVULCOCRKNXQL-UHFFFAOYSA-N 2 1 291.439 2.208 20 0 CEADMP Cc1ccc(NC(=O)CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000104097896 364677471 /nfs/dbraw/zinc/67/74/71/364677471.db2.gz GEJOKDWQNZNQHY-OAHLLOKOSA-N 2 1 289.423 2.207 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000104095342 364677972 /nfs/dbraw/zinc/67/79/72/364677972.db2.gz IGLUHFVXNSLTKF-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000104095342 364677978 /nfs/dbraw/zinc/67/79/78/364677978.db2.gz IGLUHFVXNSLTKF-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000104095342 364677983 /nfs/dbraw/zinc/67/79/83/364677983.db2.gz IGLUHFVXNSLTKF-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000104408342 364695496 /nfs/dbraw/zinc/69/54/96/364695496.db2.gz GEVZWHOFRFFFLL-INIZCTEOSA-N 2 1 297.487 2.489 20 0 CEADMP Cc1csc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000335633535 212348842 /nfs/dbraw/zinc/34/88/42/212348842.db2.gz JGBPMCXDVOJQSH-QWHCGFSZSA-N 2 1 265.426 2.273 20 0 CEADMP c1cc2c(c(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c1)NCC2 ZINC000335632533 212347121 /nfs/dbraw/zinc/34/71/21/212347121.db2.gz HCEBHEDYNQMWMS-CVEARBPZSA-N 2 1 285.435 2.476 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000335467746 364774371 /nfs/dbraw/zinc/77/43/71/364774371.db2.gz DNZZZAQGTIIPEH-PRHODGIISA-N 2 1 269.186 2.373 20 0 CEADMP Fc1cncc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335635997 212349777 /nfs/dbraw/zinc/34/97/77/212349777.db2.gz SOFAGOYTFYHHOB-KBPBESRZSA-N 2 1 263.360 2.042 20 0 CEADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000113656212 364907790 /nfs/dbraw/zinc/90/77/90/364907790.db2.gz SBHJASKWFZMKFJ-UHFFFAOYSA-N 2 1 293.386 2.086 20 0 CEADMP C[C@@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)CC[N@H+]1C ZINC000335754332 364933928 /nfs/dbraw/zinc/93/39/28/364933928.db2.gz DHLNZDXTDXFYNX-UKRRQHHQSA-N 3 1 265.445 2.076 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)n21 ZINC000335758631 364939924 /nfs/dbraw/zinc/93/99/24/364939924.db2.gz JHWVDYIYKNUCEC-KBPBESRZSA-N 2 1 272.396 2.202 20 0 CEADMP Cc1cccc2ncc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)n21 ZINC000335758631 364939929 /nfs/dbraw/zinc/93/99/29/364939929.db2.gz JHWVDYIYKNUCEC-KBPBESRZSA-N 2 1 272.396 2.202 20 0 CEADMP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000335780415 364973272 /nfs/dbraw/zinc/97/32/72/364973272.db2.gz MGBFDSXANFMQHN-XHDPSFHLSA-N 2 1 288.370 2.385 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000335780415 364973273 /nfs/dbraw/zinc/97/32/73/364973273.db2.gz MGBFDSXANFMQHN-XHDPSFHLSA-N 2 1 288.370 2.385 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000335786521 364982113 /nfs/dbraw/zinc/98/21/13/364982113.db2.gz VBKLMBHMMSXKAI-BBRMVZONSA-N 2 1 284.407 2.256 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000335866360 365090020 /nfs/dbraw/zinc/09/00/20/365090020.db2.gz XHBGXXHLORVDCI-DYVFJYSZSA-N 2 1 284.407 2.350 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000335866360 365090023 /nfs/dbraw/zinc/09/00/23/365090023.db2.gz XHBGXXHLORVDCI-DYVFJYSZSA-N 2 1 284.407 2.350 20 0 CEADMP CCc1nocc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335940941 365192018 /nfs/dbraw/zinc/19/20/18/365192018.db2.gz BZYUFKBLCRBIOF-SWLSCSKDSA-N 2 1 263.385 2.153 20 0 CEADMP CCc1nocc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335940941 365192025 /nfs/dbraw/zinc/19/20/25/365192025.db2.gz BZYUFKBLCRBIOF-SWLSCSKDSA-N 2 1 263.385 2.153 20 0 CEADMP CCc1nocc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000335940941 365192030 /nfs/dbraw/zinc/19/20/30/365192030.db2.gz BZYUFKBLCRBIOF-SWLSCSKDSA-N 2 1 263.385 2.153 20 0 CEADMP CCc1nocc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000335940941 365192037 /nfs/dbraw/zinc/19/20/37/365192037.db2.gz BZYUFKBLCRBIOF-SWLSCSKDSA-N 2 1 263.385 2.153 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000119984100 365355954 /nfs/dbraw/zinc/35/59/54/365355954.db2.gz CYRCGMBKNMICDV-ZNMIVQPWSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC000582221794 366879462 /nfs/dbraw/zinc/87/94/62/366879462.db2.gz MODYFQADHKMJAM-CBBWQLFWSA-N 2 1 254.418 2.406 20 0 CEADMP CC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120194074 365387746 /nfs/dbraw/zinc/38/77/46/365387746.db2.gz HFSFCBUBZOFNHS-INIZCTEOSA-N 2 1 266.429 2.409 20 0 CEADMP CC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120194074 365387749 /nfs/dbraw/zinc/38/77/49/365387749.db2.gz HFSFCBUBZOFNHS-INIZCTEOSA-N 2 1 266.429 2.409 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](CCC2CCCC2)CC1 ZINC000120746784 365469776 /nfs/dbraw/zinc/46/97/76/365469776.db2.gz KMTAEGMYTVPONB-UHFFFAOYSA-N 2 1 268.445 2.345 20 0 CEADMP COC(C)(C)[C@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000340479920 366902913 /nfs/dbraw/zinc/90/29/13/366902913.db2.gz VJIIYQJKIJVASA-AWEZNQCLSA-N 2 1 284.444 2.035 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000340482608 366903335 /nfs/dbraw/zinc/90/33/35/366903335.db2.gz CEILWOXBODOLFH-AEFFLSMTSA-N 2 1 288.435 2.491 20 0 CEADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000582752862 366952663 /nfs/dbraw/zinc/95/26/63/366952663.db2.gz GGXGGFDSXLVQTL-DOMZBBRYSA-N 2 1 288.395 2.442 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000582853460 366969036 /nfs/dbraw/zinc/96/90/36/366969036.db2.gz FJNUMGFOBMJLPD-WBVHZDCISA-N 2 1 276.424 2.140 20 0 CEADMP CC(C)n1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000582980629 366985792 /nfs/dbraw/zinc/98/57/92/366985792.db2.gz XBFNKYCKUWTLJM-XHSDSOJGSA-N 2 1 276.428 2.426 20 0 CEADMP CC(C)n1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000582980629 366985798 /nfs/dbraw/zinc/98/57/98/366985798.db2.gz XBFNKYCKUWTLJM-XHSDSOJGSA-N 2 1 276.428 2.426 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000583381600 367040390 /nfs/dbraw/zinc/04/03/90/367040390.db2.gz RPNJTACRAJVSOC-LLVKDONJSA-N 2 1 276.409 2.309 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000583381600 367040396 /nfs/dbraw/zinc/04/03/96/367040396.db2.gz RPNJTACRAJVSOC-LLVKDONJSA-N 2 1 276.409 2.309 20 0 CEADMP CO[C@@]1(C)C[C@@H]([NH2+]CCCc2c[nH+]cn2C)C1(C)C ZINC000583638997 367077264 /nfs/dbraw/zinc/07/72/64/367077264.db2.gz QQFNYTSQNIEOJA-HIFRSBDPSA-N 2 1 265.401 2.146 20 0 CEADMP CC(C)[C@@H]1N(C[C@@H](O)C[N@@H+](C)C(C)C)CC12CCC2 ZINC000583704584 367086870 /nfs/dbraw/zinc/08/68/70/367086870.db2.gz KYMLLUWYEPNYLU-GJZGRUSLSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[C@@H]1[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC12CCC2 ZINC000583704584 367086875 /nfs/dbraw/zinc/08/68/75/367086875.db2.gz KYMLLUWYEPNYLU-GJZGRUSLSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC12CCC2 ZINC000583704584 367086880 /nfs/dbraw/zinc/08/68/80/367086880.db2.gz KYMLLUWYEPNYLU-GJZGRUSLSA-N 2 1 268.445 2.198 20 0 CEADMP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000309861830 296092978 /nfs/dbraw/zinc/09/29/78/296092978.db2.gz DKVVFMFFXISORN-SYQHCUMBSA-N 2 1 299.459 2.218 20 0 CEADMP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000309861830 296092980 /nfs/dbraw/zinc/09/29/80/296092980.db2.gz DKVVFMFFXISORN-SYQHCUMBSA-N 2 1 299.459 2.218 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)nc2)[C@H](C)C1 ZINC000161567114 367097246 /nfs/dbraw/zinc/09/72/46/367097246.db2.gz IIKHIHNBJXFICO-CZUORRHYSA-N 2 1 261.413 2.252 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cccn2C)C1 ZINC000161666365 367104391 /nfs/dbraw/zinc/10/43/91/367104391.db2.gz LLQKPLYXHZKEDJ-HUUCEWRRSA-N 2 1 263.429 2.483 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000341060451 367153036 /nfs/dbraw/zinc/15/30/36/367153036.db2.gz NTVASELHUXACAR-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341060451 367153043 /nfs/dbraw/zinc/15/30/43/367153043.db2.gz NTVASELHUXACAR-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000341060451 367153049 /nfs/dbraw/zinc/15/30/49/367153049.db2.gz NTVASELHUXACAR-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP Cn1cncc1CCC[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000584478617 367164161 /nfs/dbraw/zinc/16/41/61/367164161.db2.gz XKFQTPLHLUGUBW-IAGOWNOFSA-N 2 1 285.391 2.161 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCCCC2)[C@H](C)C1 ZINC000163107779 367218981 /nfs/dbraw/zinc/21/89/81/367218981.db2.gz INZMBTMRXULOFJ-KBMXLJTQSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000163242010 367226434 /nfs/dbraw/zinc/22/64/34/367226434.db2.gz UBFFINZFZRJLAH-OLZOCXBDSA-N 2 1 250.411 2.448 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2nccn2CC(C)C)[C@H](C)C1 ZINC000164782595 367296067 /nfs/dbraw/zinc/29/60/67/367296067.db2.gz JHYUWMKTGSUGRJ-CABCVRRESA-N 2 1 278.444 2.359 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631569470 367407618 /nfs/dbraw/zinc/40/76/18/367407618.db2.gz HWUONCROOACTTA-KKUMJFAQSA-N 2 1 275.396 2.129 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC[N@@H+]1C ZINC000631587251 367422402 /nfs/dbraw/zinc/42/24/02/367422402.db2.gz GHYZCLIBRNKDLF-DTZQCDIJSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC[N@H+]1C ZINC000631587251 367422404 /nfs/dbraw/zinc/42/24/04/367422404.db2.gz GHYZCLIBRNKDLF-DTZQCDIJSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc2c1CCOC2 ZINC000631827617 367566053 /nfs/dbraw/zinc/56/60/53/367566053.db2.gz RPHPJWLCMOWDFX-HNNXBMFYSA-N 2 1 262.397 2.222 20 0 CEADMP C(c1nc(C2CCC2)no1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000631827637 367566276 /nfs/dbraw/zinc/56/62/76/367566276.db2.gz SCJOLKGVLJIADD-UONOGXRCSA-N 2 1 290.411 2.159 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342809413 367549021 /nfs/dbraw/zinc/54/90/21/367549021.db2.gz JQOVNGGNQJTTGX-WWGRRREGSA-N 2 1 286.423 2.424 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631826703 367564495 /nfs/dbraw/zinc/56/44/95/367564495.db2.gz VMSPXAPABMOTBL-JJXSEGSLSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc2c1CCOC2 ZINC000631829206 367567517 /nfs/dbraw/zinc/56/75/17/367567517.db2.gz KDXAYCGKEQTVLN-IUODEOHRSA-N 2 1 260.381 2.071 20 0 CEADMP C[C@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000631829373 367567670 /nfs/dbraw/zinc/56/76/70/367567670.db2.gz OXKRBHZAZMBVJI-KBUPBQIOSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1cncc(F)c1)CC[NH2+]CC2 ZINC000335543107 212242272 /nfs/dbraw/zinc/24/22/72/212242272.db2.gz JEVOKBXUSWRUMJ-LBPRGKRZSA-N 2 1 263.360 2.185 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCOCCc1ccccc1 ZINC000631858786 367595159 /nfs/dbraw/zinc/59/51/59/367595159.db2.gz DMHBKPJIARSTNJ-GOEBONIOSA-N 2 1 262.397 2.057 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCOCCc1ccccc1 ZINC000631858786 367595164 /nfs/dbraw/zinc/59/51/64/367595164.db2.gz DMHBKPJIARSTNJ-GOEBONIOSA-N 2 1 262.397 2.057 20 0 CEADMP COc1ccc(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631886773 367608874 /nfs/dbraw/zinc/60/88/74/367608874.db2.gz MDWOXZNOSAXVND-RDJZCZTQSA-N 2 1 274.408 2.312 20 0 CEADMP COc1cccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631889183 367610935 /nfs/dbraw/zinc/61/09/35/367610935.db2.gz CXWQPAWGWQUBRD-PBHICJAKSA-N 2 1 290.407 2.148 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c2c(c1)COCC2 ZINC000631891392 367611523 /nfs/dbraw/zinc/61/15/23/367611523.db2.gz YODXUSQSWXIYHH-KSSFIOAISA-N 2 1 286.419 2.333 20 0 CEADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000342964116 367616392 /nfs/dbraw/zinc/61/63/92/367616392.db2.gz WGKDHKKRHPNVKM-JKSUJKDBSA-N 2 1 297.487 2.011 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@H]3CCCOC3)C1)CCCC2 ZINC000681827343 541600974 /nfs/dbraw/zinc/60/09/74/541600974.db2.gz GONUAIQRBXNVNE-GJZGRUSLSA-N 2 1 289.423 2.496 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@H]3CCCOC3)C1)CCCC2 ZINC000681827343 541600975 /nfs/dbraw/zinc/60/09/75/541600975.db2.gz GONUAIQRBXNVNE-GJZGRUSLSA-N 2 1 289.423 2.496 20 0 CEADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000681994323 541616386 /nfs/dbraw/zinc/61/63/86/541616386.db2.gz FBZJUKDZNPODIN-XGUBFFRZSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[C@@H](CN[C@@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000343271416 367735851 /nfs/dbraw/zinc/73/58/51/367735851.db2.gz QTQWXOLRKXYQDJ-BRWVUGGUSA-N 2 1 281.488 2.283 20 0 CEADMP CC(C)[C@@H](CN[C@@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000343271416 367735857 /nfs/dbraw/zinc/73/58/57/367735857.db2.gz QTQWXOLRKXYQDJ-BRWVUGGUSA-N 2 1 281.488 2.283 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000245931845 370890257 /nfs/dbraw/zinc/89/02/57/370890257.db2.gz ZOQRLBYGSQCBKT-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccco1 ZINC000245906208 370885803 /nfs/dbraw/zinc/88/58/03/370885803.db2.gz BDCNTANGPNWSAO-SOUVJXGZSA-N 2 1 277.412 2.099 20 0 CEADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccco1 ZINC000245906208 370885808 /nfs/dbraw/zinc/88/58/08/370885808.db2.gz BDCNTANGPNWSAO-SOUVJXGZSA-N 2 1 277.412 2.099 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCc2nccs2)CC[N@H+]1C ZINC000358052645 370886701 /nfs/dbraw/zinc/88/67/01/370886701.db2.gz YAMPBUXBNLPECQ-RYUDHWBXSA-N 2 1 253.415 2.148 20 0 CEADMP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCO[C@]4(CCSC4)C3)CC[N@H+]2C1 ZINC000245920356 370888511 /nfs/dbraw/zinc/88/85/11/370888511.db2.gz GRZVGFPTSZYLDL-QKPAOTATSA-N 2 1 296.480 2.258 20 0 CEADMP COc1ccc(OC)c(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000358022348 370872579 /nfs/dbraw/zinc/87/25/79/370872579.db2.gz JFUNCWGQROLIKJ-BBRMVZONSA-N 2 1 292.423 2.176 20 0 CEADMP COCCC[N@@H+](C)CCNc1cc(C)nc(C2CC2)n1 ZINC000172771528 367815690 /nfs/dbraw/zinc/81/56/90/367815690.db2.gz BWFNABJCMFHCOP-UHFFFAOYSA-N 2 1 278.400 2.043 20 0 CEADMP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000173395382 367905806 /nfs/dbraw/zinc/90/58/06/367905806.db2.gz GPSSULHONWLXOW-HNNXBMFYSA-N 2 1 289.423 2.207 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC000343619686 367921788 /nfs/dbraw/zinc/92/17/88/367921788.db2.gz TUPDHEMUVHIETO-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC000343619688 367921867 /nfs/dbraw/zinc/92/18/67/367921867.db2.gz TUPDHEMUVHIETO-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(O)c2)[C@H](C)C1 ZINC000173363278 367901890 /nfs/dbraw/zinc/90/18/90/367901890.db2.gz DECWTFHYYHGIGD-OCCSQVGLSA-N 2 1 278.396 2.221 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(O)c2)[C@H](C)C1 ZINC000173363278 367901899 /nfs/dbraw/zinc/90/18/99/367901899.db2.gz DECWTFHYYHGIGD-OCCSQVGLSA-N 2 1 278.396 2.221 20 0 CEADMP Cc1csc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000343784520 368001378 /nfs/dbraw/zinc/00/13/78/368001378.db2.gz PKOIYPYXMUHQOT-OKILXGFUSA-N 2 1 297.468 2.431 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000343997984 368099831 /nfs/dbraw/zinc/09/98/31/368099831.db2.gz BPIJLIGDYJVSPS-SOUVJXGZSA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000343997984 368099835 /nfs/dbraw/zinc/09/98/35/368099835.db2.gz BPIJLIGDYJVSPS-SOUVJXGZSA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000343997984 368099839 /nfs/dbraw/zinc/09/98/39/368099839.db2.gz BPIJLIGDYJVSPS-SOUVJXGZSA-N 2 1 267.461 2.322 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000175403985 368133078 /nfs/dbraw/zinc/13/30/78/368133078.db2.gz XWTLQODDUJLEML-QKPAOTATSA-N 2 1 295.471 2.190 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000345255472 368210243 /nfs/dbraw/zinc/21/02/43/368210243.db2.gz VOMMNCFSHRKTGD-HUUCEWRRSA-N 2 1 264.417 2.126 20 0 CEADMP CO[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(F)(F)F ZINC000345478174 368292537 /nfs/dbraw/zinc/29/25/37/368292537.db2.gz GFTLGQDKEVPGRA-QJPTWQEYSA-N 2 1 280.334 2.170 20 0 CEADMP C(C1CCOCC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179169352 368326047 /nfs/dbraw/zinc/32/60/47/368326047.db2.gz POZFXIVOVZSDNB-WBVHZDCISA-N 2 1 278.440 2.362 20 0 CEADMP C(C1CCOCC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179169352 368326050 /nfs/dbraw/zinc/32/60/50/368326050.db2.gz POZFXIVOVZSDNB-WBVHZDCISA-N 2 1 278.440 2.362 20 0 CEADMP C(C1CCOCC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179169352 368326052 /nfs/dbraw/zinc/32/60/52/368326052.db2.gz POZFXIVOVZSDNB-WBVHZDCISA-N 2 1 278.440 2.362 20 0 CEADMP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[NH+](CC)CC ZINC000345792246 368423824 /nfs/dbraw/zinc/42/38/24/368423824.db2.gz CGMLRPNPRQYIEI-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP C[N@@H+](Cc1ccc(O)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000682406647 541659386 /nfs/dbraw/zinc/65/93/86/541659386.db2.gz HNWICDXCLZRTQV-AWEZNQCLSA-N 2 1 271.364 2.283 20 0 CEADMP C[N@H+](Cc1ccc(O)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000682406647 541659389 /nfs/dbraw/zinc/65/93/89/541659389.db2.gz HNWICDXCLZRTQV-AWEZNQCLSA-N 2 1 271.364 2.283 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000335490535 212167793 /nfs/dbraw/zinc/16/77/93/212167793.db2.gz FMUSYYZUAZBOCI-FZMZJTMJSA-N 2 1 292.814 2.465 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000345821560 368438741 /nfs/dbraw/zinc/43/87/41/368438741.db2.gz TVEOZSDSRYAWKU-HLLBOEOZSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@]1(C)CCCO1 ZINC000340185909 299387534 /nfs/dbraw/zinc/38/75/34/299387534.db2.gz FOPHAODUJCRVLF-XGUBFFRZSA-N 2 1 252.402 2.160 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CCOC)C12CCCC2 ZINC000181488468 368461671 /nfs/dbraw/zinc/46/16/71/368461671.db2.gz ACGNERSKKCKBTA-CVEARBPZSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(=O)[nH]n1 ZINC000285474509 296121654 /nfs/dbraw/zinc/12/16/54/296121654.db2.gz BCIIIRRLGRDPAF-UONOGXRCSA-N 2 1 292.427 2.075 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]1(C)CCCO ZINC000345952474 368493502 /nfs/dbraw/zinc/49/35/02/368493502.db2.gz NSBIPUOQXVNKHQ-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccnn1C ZINC000682647820 541692563 /nfs/dbraw/zinc/69/25/63/541692563.db2.gz VAKNSKYNBYGGOF-JYJNAYRXSA-N 2 1 290.455 2.376 20 0 CEADMP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CCCC[N@H+]1C ZINC000682685641 541698140 /nfs/dbraw/zinc/69/81/40/541698140.db2.gz BAGILSYFGLFBES-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212222 368594828 /nfs/dbraw/zinc/59/48/28/368594828.db2.gz PZIITIPDBPALAW-UONOGXRCSA-N 2 1 290.411 2.221 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212222 368594831 /nfs/dbraw/zinc/59/48/31/368594831.db2.gz PZIITIPDBPALAW-UONOGXRCSA-N 2 1 290.411 2.221 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212222 368594834 /nfs/dbraw/zinc/59/48/34/368594834.db2.gz PZIITIPDBPALAW-UONOGXRCSA-N 2 1 290.411 2.221 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212222 368594836 /nfs/dbraw/zinc/59/48/36/368594836.db2.gz PZIITIPDBPALAW-UONOGXRCSA-N 2 1 290.411 2.221 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000358088030 370899179 /nfs/dbraw/zinc/89/91/79/370899179.db2.gz ZDKNQOVTJSHZAL-CHWSQXEVSA-N 2 1 280.416 2.055 20 0 CEADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)[C@H]1CCOC1 ZINC000358087165 370899652 /nfs/dbraw/zinc/89/96/52/370899652.db2.gz QGJDLNLBSWCDPT-QEJZJMRPSA-N 2 1 265.401 2.232 20 0 CEADMP CC(C)CC[C@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000634555377 368714388 /nfs/dbraw/zinc/71/43/88/368714388.db2.gz IUBOAWCAPVYTRI-JTQLQIEISA-N 2 1 252.362 2.234 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[NH2+]CC1 ZINC000346632729 368742479 /nfs/dbraw/zinc/74/24/79/368742479.db2.gz DQTHHEMEYZRHQW-UHFFFAOYSA-N 2 1 289.467 2.440 20 0 CEADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)CC1CCCCC1 ZINC000358123547 370914637 /nfs/dbraw/zinc/91/46/37/370914637.db2.gz WHXQPXHAXVZLOF-HOCLYGCPSA-N 2 1 268.445 2.249 20 0 CEADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)CC1CCCCC1 ZINC000358123547 370914643 /nfs/dbraw/zinc/91/46/43/370914643.db2.gz WHXQPXHAXVZLOF-HOCLYGCPSA-N 2 1 268.445 2.249 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc(F)c1F ZINC000358137445 370919474 /nfs/dbraw/zinc/91/94/74/370919474.db2.gz GVZCAAKVDFFBBM-RISCZKNCSA-N 2 1 268.351 2.437 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)no1 ZINC000246332467 370948356 /nfs/dbraw/zinc/94/83/56/370948356.db2.gz SWJDNASWQPQBIO-FZMZJTMJSA-N 2 1 260.341 2.263 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)no1 ZINC000246332467 370948359 /nfs/dbraw/zinc/94/83/59/370948359.db2.gz SWJDNASWQPQBIO-FZMZJTMJSA-N 2 1 260.341 2.263 20 0 CEADMP Cc1ccn2c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cnc2c1 ZINC000346674817 368764497 /nfs/dbraw/zinc/76/44/97/368764497.db2.gz JIQHGKGAHKDIBF-HNNXBMFYSA-N 2 1 274.412 2.448 20 0 CEADMP Cc1ccn2c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cnc2c1 ZINC000346674817 368764501 /nfs/dbraw/zinc/76/45/01/368764501.db2.gz JIQHGKGAHKDIBF-HNNXBMFYSA-N 2 1 274.412 2.448 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358184231 370940864 /nfs/dbraw/zinc/94/08/64/370940864.db2.gz XEQUSDCWCOCSLK-NFAWXSAZSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358184231 370940869 /nfs/dbraw/zinc/94/08/69/370940869.db2.gz XEQUSDCWCOCSLK-NFAWXSAZSA-N 2 1 254.418 2.264 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000185201502 368766215 /nfs/dbraw/zinc/76/62/15/368766215.db2.gz ZEFYXWJYCINLRQ-QGZVFWFLSA-N 2 1 285.391 2.145 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@](C)(O)c1cccs1 ZINC000185205303 368767347 /nfs/dbraw/zinc/76/73/47/368767347.db2.gz JDHLSFQPMZXLHX-OAHLLOKOSA-N 2 1 291.420 2.206 20 0 CEADMP COc1cc2c(c(C[N@H+](C)CC(C)(C)C[NH3+])c1)O[C@H](C)C2 ZINC000346683421 368767505 /nfs/dbraw/zinc/76/75/05/368767505.db2.gz QZQBGNVJTVBSAJ-GFCCVEGCSA-N 2 1 292.423 2.435 20 0 CEADMP COc1cc2c(c(C[N@@H+](C)CC(C)(C)C[NH3+])c1)O[C@H](C)C2 ZINC000346683421 368767508 /nfs/dbraw/zinc/76/75/08/368767508.db2.gz QZQBGNVJTVBSAJ-GFCCVEGCSA-N 2 1 292.423 2.435 20 0 CEADMP C[N@@H+](Cc1cc2ccccc2[nH]c1=O)CC(C)(C)C[NH3+] ZINC000346661406 368757388 /nfs/dbraw/zinc/75/73/88/368757388.db2.gz VZPHJHCPPAPFFA-UHFFFAOYSA-N 2 1 273.380 2.357 20 0 CEADMP CC[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)N(C)C ZINC000634676530 368807511 /nfs/dbraw/zinc/80/75/11/368807511.db2.gz FOJZCEIOTPBWKV-PSEXLTFBSA-N 2 1 278.400 2.423 20 0 CEADMP CC[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)[NH+](C)C ZINC000634676530 368807520 /nfs/dbraw/zinc/80/75/20/368807520.db2.gz FOJZCEIOTPBWKV-PSEXLTFBSA-N 2 1 278.400 2.423 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCO2)[C@@H](C)C1 ZINC000347357305 368807590 /nfs/dbraw/zinc/80/75/90/368807590.db2.gz LIZIRBNMKXAHJK-XGUBFFRZSA-N 2 1 254.418 2.264 20 0 CEADMP CC1(C)C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CCO1 ZINC000634680740 368810426 /nfs/dbraw/zinc/81/04/26/368810426.db2.gz ZWISGLBXYPDZDS-OAHLLOKOSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)O1 ZINC000634688604 368816466 /nfs/dbraw/zinc/81/64/66/368816466.db2.gz XLXCYGHOIQAXCP-VNQPRFMTSA-N 2 1 266.429 2.266 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000634733295 368844998 /nfs/dbraw/zinc/84/49/98/368844998.db2.gz CAULXSVQZWXBFV-XUWVNRHRSA-N 2 1 279.472 2.275 20 0 CEADMP CN(C)c1cccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC000346987077 368795627 /nfs/dbraw/zinc/79/56/27/368795627.db2.gz QPVQYSGZHFEYBY-OAHLLOKOSA-N 2 1 261.413 2.184 20 0 CEADMP c1ccc(OC[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000347011330 368796463 /nfs/dbraw/zinc/79/64/63/368796463.db2.gz UPSYJTXMZFBVME-INIZCTEOSA-N 2 1 274.408 2.387 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000348103266 368898980 /nfs/dbraw/zinc/89/89/80/368898980.db2.gz OEMZQTRWOWRFMI-OFQRWUPVSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000348103266 368898982 /nfs/dbraw/zinc/89/89/82/368898982.db2.gz OEMZQTRWOWRFMI-OFQRWUPVSA-N 2 1 299.422 2.401 20 0 CEADMP CC[C@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000348114599 368904932 /nfs/dbraw/zinc/90/49/32/368904932.db2.gz SYZFHIJUHUTHGF-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP CCN(CC)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185718166 368848201 /nfs/dbraw/zinc/84/82/01/368848201.db2.gz SRXVCMGHYUDOEV-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCN(CC)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718166 368848203 /nfs/dbraw/zinc/84/82/03/368848203.db2.gz SRXVCMGHYUDOEV-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CCCC2CCCCC2)C1 ZINC000348263712 368975182 /nfs/dbraw/zinc/97/51/82/368975182.db2.gz UOBPNUPPIFSHKE-OAHLLOKOSA-N 2 1 254.418 2.003 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]CCCC2CCCCC2)C1 ZINC000348263712 368975188 /nfs/dbraw/zinc/97/51/88/368975188.db2.gz UOBPNUPPIFSHKE-OAHLLOKOSA-N 2 1 254.418 2.003 20 0 CEADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000348320611 369002153 /nfs/dbraw/zinc/00/21/53/369002153.db2.gz NUTCWMVEQKNEFD-OKZBNKHCSA-N 2 1 286.419 2.087 20 0 CEADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](C[C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000348320611 369002155 /nfs/dbraw/zinc/00/21/55/369002155.db2.gz NUTCWMVEQKNEFD-OKZBNKHCSA-N 2 1 286.419 2.087 20 0 CEADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](C[C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000348320611 369002157 /nfs/dbraw/zinc/00/21/57/369002157.db2.gz NUTCWMVEQKNEFD-OKZBNKHCSA-N 2 1 286.419 2.087 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000635010695 369046935 /nfs/dbraw/zinc/04/69/35/369046935.db2.gz UXKAVJGQYDCOQD-GWCFXTLKSA-N 2 1 254.324 2.443 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000348350163 369012201 /nfs/dbraw/zinc/01/22/01/369012201.db2.gz XJGHZLOZDAGUGP-HLLBOEOZSA-N 2 1 275.440 2.362 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000348350163 369012203 /nfs/dbraw/zinc/01/22/03/369012203.db2.gz XJGHZLOZDAGUGP-HLLBOEOZSA-N 2 1 275.440 2.362 20 0 CEADMP CCc1cccc(F)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999487 369033624 /nfs/dbraw/zinc/03/36/24/369033624.db2.gz VGVDNWVWJXMRSA-DGCLKSJQSA-N 2 1 250.361 2.415 20 0 CEADMP Cc1nccnc1[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635011271 369048500 /nfs/dbraw/zinc/04/85/00/369048500.db2.gz NAIHXMLKSYVESH-OLZOCXBDSA-N 2 1 262.401 2.214 20 0 CEADMP CCn1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c2ccccc21 ZINC000634999660 369035306 /nfs/dbraw/zinc/03/53/06/369035306.db2.gz XNKGFKYZGPMBMB-CHWSQXEVSA-N 2 1 272.396 2.083 20 0 CEADMP CCn1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c2ccccc21 ZINC000634999660 369035311 /nfs/dbraw/zinc/03/53/11/369035311.db2.gz XNKGFKYZGPMBMB-CHWSQXEVSA-N 2 1 272.396 2.083 20 0 CEADMP CC(C)(C)N1CCC([NH2+][C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000635005685 369041395 /nfs/dbraw/zinc/04/13/95/369041395.db2.gz JZAYDQVVJKACCK-HDJSIYSDSA-N 2 1 267.461 2.356 20 0 CEADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCNC(=O)CC1)CC(C)C ZINC000634951811 368986712 /nfs/dbraw/zinc/98/67/12/368986712.db2.gz GYNAAVXOVGLOOR-CABCVRRESA-N 2 1 283.460 2.001 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000348297764 368991214 /nfs/dbraw/zinc/99/12/14/368991214.db2.gz CHUXRSWFQFWGKJ-INMHGKMJSA-N 2 1 275.440 2.047 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000348297764 368991217 /nfs/dbraw/zinc/99/12/17/368991217.db2.gz CHUXRSWFQFWGKJ-INMHGKMJSA-N 2 1 275.440 2.047 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000635013409 369052918 /nfs/dbraw/zinc/05/29/18/369052918.db2.gz SGXQUWYGYGHRBB-QWHCGFSZSA-N 2 1 265.376 2.074 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000635016510 369056298 /nfs/dbraw/zinc/05/62/98/369056298.db2.gz CHHKGRSKYNWVMQ-UHFFFAOYSA-N 3 1 287.451 2.295 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635443362 369174029 /nfs/dbraw/zinc/17/40/29/369174029.db2.gz HCONUKQYHKYZRM-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CN(CC[NH+](C)C1CCCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635443362 369174034 /nfs/dbraw/zinc/17/40/34/369174034.db2.gz HCONUKQYHKYZRM-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CN(CC[NH+](C)C1CCCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635443362 369174039 /nfs/dbraw/zinc/17/40/39/369174039.db2.gz HCONUKQYHKYZRM-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000348926894 369201637 /nfs/dbraw/zinc/20/16/37/369201637.db2.gz KSGLXQQGLMFCDG-GFCCVEGCSA-N 2 1 261.373 2.008 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000348926894 369201643 /nfs/dbraw/zinc/20/16/43/369201643.db2.gz KSGLXQQGLMFCDG-GFCCVEGCSA-N 2 1 261.373 2.008 20 0 CEADMP C[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000635566437 369221959 /nfs/dbraw/zinc/22/19/59/369221959.db2.gz WMGRXDGDZWHTFR-XHSDSOJGSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC000635602022 369240748 /nfs/dbraw/zinc/24/07/48/369240748.db2.gz FHLZNBYZOKURHM-CABCVRRESA-N 2 1 297.487 2.153 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC000635602022 369240751 /nfs/dbraw/zinc/24/07/51/369240751.db2.gz FHLZNBYZOKURHM-CABCVRRESA-N 2 1 297.487 2.153 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC000635602022 369240757 /nfs/dbraw/zinc/24/07/57/369240757.db2.gz FHLZNBYZOKURHM-CABCVRRESA-N 2 1 297.487 2.153 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2c[nH]nc2c1 ZINC000349406372 369321055 /nfs/dbraw/zinc/32/10/55/369321055.db2.gz LCGVALALJRDFQK-UHFFFAOYSA-N 2 1 260.385 2.337 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2c[nH]nc2c1 ZINC000349406372 369321061 /nfs/dbraw/zinc/32/10/61/369321061.db2.gz LCGVALALJRDFQK-UHFFFAOYSA-N 2 1 260.385 2.337 20 0 CEADMP C[NH+](C)CCc1ccccc1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635834143 369365575 /nfs/dbraw/zinc/36/55/75/369365575.db2.gz CFECYJXXQNHVLD-CQSZACIVSA-N 2 1 289.423 2.071 20 0 CEADMP CC(C)OCC[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000349849295 369421752 /nfs/dbraw/zinc/42/17/52/369421752.db2.gz BXXSUGOWCMOBOC-QGZVFWFLSA-N 2 1 298.471 2.113 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000349958256 369465765 /nfs/dbraw/zinc/46/57/65/369465765.db2.gz ARGNVJLOHGGCAY-ZBFHGGJFSA-N 2 1 268.445 2.323 20 0 CEADMP CCCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358251437 370973370 /nfs/dbraw/zinc/97/33/70/370973370.db2.gz MFGUWPWISJQDRM-YOEHRIQHSA-N 2 1 292.423 2.193 20 0 CEADMP CCCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358251437 370973374 /nfs/dbraw/zinc/97/33/74/370973374.db2.gz MFGUWPWISJQDRM-YOEHRIQHSA-N 2 1 292.423 2.193 20 0 CEADMP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000189265307 369485267 /nfs/dbraw/zinc/48/52/67/369485267.db2.gz MCROCRNGEDASKV-LVDPKSTMSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1cccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1C ZINC000358265291 370982127 /nfs/dbraw/zinc/98/21/27/370982127.db2.gz ZLRDKKJWVSYJMY-ZBFHGGJFSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1cccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1C ZINC000358265291 370982134 /nfs/dbraw/zinc/98/21/34/370982134.db2.gz ZLRDKKJWVSYJMY-ZBFHGGJFSA-N 2 1 262.397 2.021 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC000350181288 369522663 /nfs/dbraw/zinc/52/26/63/369522663.db2.gz NEFNHZUPIURPPL-OAHLLOKOSA-N 2 1 256.434 2.465 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000276207638 193243425 /nfs/dbraw/zinc/24/34/25/193243425.db2.gz AJGZINVLJQFVQV-GFCCVEGCSA-N 2 1 289.379 2.331 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NCCC1CCCCC1 ZINC000352478162 369749150 /nfs/dbraw/zinc/74/91/50/369749150.db2.gz TUAZSVPBBIQRFG-MRXNPFEDSA-N 2 1 295.471 2.276 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NCCC1CCCCC1 ZINC000352478162 369749154 /nfs/dbraw/zinc/74/91/54/369749154.db2.gz TUAZSVPBBIQRFG-MRXNPFEDSA-N 2 1 295.471 2.276 20 0 CEADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352509009 369764819 /nfs/dbraw/zinc/76/48/19/369764819.db2.gz IZCPASLGUCPHQZ-CABCVRRESA-N 2 1 283.460 2.083 20 0 CEADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352509009 369764820 /nfs/dbraw/zinc/76/48/20/369764820.db2.gz IZCPASLGUCPHQZ-CABCVRRESA-N 2 1 283.460 2.083 20 0 CEADMP CN(CC[N@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000352517246 369768590 /nfs/dbraw/zinc/76/85/90/369768590.db2.gz CIOSCBKNRZFRNF-INIZCTEOSA-N 2 1 261.413 2.326 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352518124 369770175 /nfs/dbraw/zinc/77/01/75/369770175.db2.gz HAVUWOWYGWZNNV-AWEZNQCLSA-N 2 1 272.396 2.346 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000191638219 369728296 /nfs/dbraw/zinc/72/82/96/369728296.db2.gz XQYHNMCSIVSWPR-OAHLLOKOSA-N 2 1 260.381 2.453 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCc2occc21 ZINC000192663487 369839853 /nfs/dbraw/zinc/83/98/53/369839853.db2.gz VDAJKKLNWKNDJF-CQSZACIVSA-N 2 1 266.385 2.215 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2occc21 ZINC000192663487 369839856 /nfs/dbraw/zinc/83/98/56/369839856.db2.gz VDAJKKLNWKNDJF-CQSZACIVSA-N 2 1 266.385 2.215 20 0 CEADMP COC(=O)C1CCC([NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000192440122 369812147 /nfs/dbraw/zinc/81/21/47/369812147.db2.gz MZNJSMXQGGZVKG-WXLSXGNJSA-N 2 1 296.455 2.428 20 0 CEADMP COC(=O)C1CCC([NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000192440122 369812150 /nfs/dbraw/zinc/81/21/50/369812150.db2.gz MZNJSMXQGGZVKG-WXLSXGNJSA-N 2 1 296.455 2.428 20 0 CEADMP COC(=O)C1CCC([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000192442003 369813584 /nfs/dbraw/zinc/81/35/84/369813584.db2.gz QEAYXGLHLNZMCV-UHFFFAOYSA-N 2 1 282.428 2.182 20 0 CEADMP COC(=O)C1CCC([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000192442003 369813588 /nfs/dbraw/zinc/81/35/88/369813588.db2.gz QEAYXGLHLNZMCV-UHFFFAOYSA-N 2 1 282.428 2.182 20 0 CEADMP Cc1c(C[N@@H+](CCC[NH3+])CC2CCCC2)cnn1C ZINC000352539848 369777430 /nfs/dbraw/zinc/77/74/30/369777430.db2.gz DHAFWLOSZIXXEW-UHFFFAOYSA-N 2 1 264.417 2.070 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)[nH]1 ZINC000352546120 369782264 /nfs/dbraw/zinc/78/22/64/369782264.db2.gz PTHBSGUFIBWANV-UHFFFAOYSA-N 2 1 293.411 2.142 20 0 CEADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccnn2C)CC1 ZINC000192249542 369785117 /nfs/dbraw/zinc/78/51/17/369785117.db2.gz RFPDATHFXZOBLS-CYBMUJFWSA-N 2 1 264.417 2.335 20 0 CEADMP CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(C)C ZINC000352737003 369859952 /nfs/dbraw/zinc/85/99/52/369859952.db2.gz IKIVUQMWQJCDIE-LEWSCRJBSA-N 2 1 297.468 2.354 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352736139 369860877 /nfs/dbraw/zinc/86/08/77/369860877.db2.gz FODPHPOTIHMIGC-QWRGUYRKSA-N 2 1 253.415 2.483 20 0 CEADMP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H]1CCCOC1 ZINC000352738896 369861725 /nfs/dbraw/zinc/86/17/25/369861725.db2.gz VFYIQHHLVLMXCW-NEPJUHHUSA-N 2 1 283.441 2.109 20 0 CEADMP C[NH+](C)Cc1cnc(CN[C@@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000352750386 369868086 /nfs/dbraw/zinc/86/80/86/369868086.db2.gz QNABIAUJPQWKNR-CHWSQXEVSA-N 2 1 296.484 2.167 20 0 CEADMP CCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)cn1 ZINC000352759801 369871556 /nfs/dbraw/zinc/87/15/56/369871556.db2.gz LOHVZABCNUYQJH-OAHLLOKOSA-N 2 1 261.413 2.466 20 0 CEADMP CCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)cn1 ZINC000352759801 369871563 /nfs/dbraw/zinc/87/15/63/369871563.db2.gz LOHVZABCNUYQJH-OAHLLOKOSA-N 2 1 261.413 2.466 20 0 CEADMP CCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000352792329 369879436 /nfs/dbraw/zinc/87/94/36/369879436.db2.gz LVZOIZYSIJKWBR-AWEZNQCLSA-N 2 1 259.397 2.218 20 0 CEADMP COC1CCC(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352794102 369881867 /nfs/dbraw/zinc/88/18/67/369881867.db2.gz ULYBRNJWKONGMX-UHFFFAOYSA-N 2 1 297.468 2.500 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC[C@@H]1CCCC[N@H+]1C ZINC000352801748 369883730 /nfs/dbraw/zinc/88/37/30/369883730.db2.gz UBJPUHXFYQNBID-IXDOHACOSA-N 2 1 279.472 2.419 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC[C@H]1CCCC[N@H+]1C ZINC000352801745 369883939 /nfs/dbraw/zinc/88/39/39/369883939.db2.gz UBJPUHXFYQNBID-BRWVUGGUSA-N 2 1 279.472 2.419 20 0 CEADMP Cc1cnn(C)c1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000352814043 369891059 /nfs/dbraw/zinc/89/10/59/369891059.db2.gz KBVZTOWYYUWQQK-HNNXBMFYSA-N 2 1 278.444 2.473 20 0 CEADMP CC(C)Oc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193624303 369963319 /nfs/dbraw/zinc/96/33/19/369963319.db2.gz YVKCESTYRRTRLJ-IYBDPMFKSA-N 2 1 274.408 2.467 20 0 CEADMP CC(C)Oc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193624303 369963326 /nfs/dbraw/zinc/96/33/26/369963326.db2.gz YVKCESTYRRTRLJ-IYBDPMFKSA-N 2 1 274.408 2.467 20 0 CEADMP CC(C)Oc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193624303 369963330 /nfs/dbraw/zinc/96/33/30/369963330.db2.gz YVKCESTYRRTRLJ-IYBDPMFKSA-N 2 1 274.408 2.467 20 0 CEADMP CC(C)Oc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193624303 369963337 /nfs/dbraw/zinc/96/33/37/369963337.db2.gz YVKCESTYRRTRLJ-IYBDPMFKSA-N 2 1 274.408 2.467 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000193250049 369911809 /nfs/dbraw/zinc/91/18/09/369911809.db2.gz VJUUGUWGTJHDJC-INIZCTEOSA-N 2 1 288.435 2.438 20 0 CEADMP CN(CC1CC[NH+](C)CC1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000353071959 370007749 /nfs/dbraw/zinc/00/77/49/370007749.db2.gz BBZNXJWIGGWNHW-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000353152645 370041810 /nfs/dbraw/zinc/04/18/10/370041810.db2.gz LVUZIQZDUSJLOR-OLZOCXBDSA-N 2 1 263.385 2.052 20 0 CEADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)C1(CO)CC1 ZINC000353025160 369987708 /nfs/dbraw/zinc/98/77/08/369987708.db2.gz QOZBNIWTDDUPPM-UHFFFAOYSA-N 2 1 271.364 2.137 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000194848550 370080293 /nfs/dbraw/zinc/08/02/93/370080293.db2.gz XLGJQKBISNKRNO-ZDUSSCGKSA-N 2 1 266.385 2.011 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000194848550 370080298 /nfs/dbraw/zinc/08/02/98/370080298.db2.gz XLGJQKBISNKRNO-ZDUSSCGKSA-N 2 1 266.385 2.011 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(O)CC2)[C@@H](C)C1 ZINC000353533420 370116154 /nfs/dbraw/zinc/11/61/54/370116154.db2.gz RXCBXJHRZWRNEO-OTBWCIGPSA-N 2 1 298.471 2.017 20 0 CEADMP CC(C)c1[nH+]ccn1CC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000637843103 370110934 /nfs/dbraw/zinc/11/09/34/370110934.db2.gz VLQVUBILXZAJDA-UHFFFAOYSA-N 2 1 298.390 2.291 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](NCC2(C[NH+](C)C)CCCC2)C1 ZINC000353166298 370049648 /nfs/dbraw/zinc/04/96/48/370049648.db2.gz JJMMVKBFGLPBOP-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1C[C@@H](C)[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C1 ZINC000353166298 370049651 /nfs/dbraw/zinc/04/96/51/370049651.db2.gz JJMMVKBFGLPBOP-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194542585 370050513 /nfs/dbraw/zinc/05/05/13/370050513.db2.gz UUMVWHJIGSORPX-OIISXLGYSA-N 2 1 258.409 2.359 20 0 CEADMP C[C@H](Cc1ccccc1)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194542585 370050518 /nfs/dbraw/zinc/05/05/18/370050518.db2.gz UUMVWHJIGSORPX-OIISXLGYSA-N 2 1 258.409 2.359 20 0 CEADMP C[C@H](Cc1ccccc1)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194542585 370050523 /nfs/dbraw/zinc/05/05/23/370050523.db2.gz UUMVWHJIGSORPX-OIISXLGYSA-N 2 1 258.409 2.359 20 0 CEADMP CN(Cc1ccnn1CC1CCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000637930650 370178312 /nfs/dbraw/zinc/17/83/12/370178312.db2.gz QVLZSVIAKSOLOF-INIZCTEOSA-N 2 1 290.455 2.457 20 0 CEADMP C[C@@H](C(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1CCCCCC1 ZINC000353777869 370125325 /nfs/dbraw/zinc/12/53/25/370125325.db2.gz YBINOLCDHBQFSS-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2cccn(C(F)F)c2=O)CC1 ZINC000637886909 370147574 /nfs/dbraw/zinc/14/75/74/370147574.db2.gz NACVPVXBQHSIDG-UHFFFAOYSA-N 2 1 299.365 2.160 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2cccn(C(F)F)c2=O)CC1 ZINC000637886909 370147580 /nfs/dbraw/zinc/14/75/80/370147580.db2.gz NACVPVXBQHSIDG-UHFFFAOYSA-N 2 1 299.365 2.160 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000221857956 370246335 /nfs/dbraw/zinc/24/63/35/370246335.db2.gz UQEJMLABWKREAT-TUKIKUTGSA-N 2 1 282.815 2.446 20 0 CEADMP COc1cc(C[NH2+]CCC[N@H+](C)C(C)C)cc(OC)c1O ZINC000221784572 370246422 /nfs/dbraw/zinc/24/64/22/370246422.db2.gz KPSKSYIZJGAXQL-UHFFFAOYSA-N 2 1 296.411 2.229 20 0 CEADMP COc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)cc(OC)c1O ZINC000221784572 370246428 /nfs/dbraw/zinc/24/64/28/370246428.db2.gz KPSKSYIZJGAXQL-UHFFFAOYSA-N 2 1 296.411 2.229 20 0 CEADMP C[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CCSCC1 ZINC000354178915 370246784 /nfs/dbraw/zinc/24/67/84/370246784.db2.gz BDLHPBRVXLHBII-FZMZJTMJSA-N 2 1 256.459 2.448 20 0 CEADMP C[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)C(C)(C)C[NH+](C)C ZINC000354064946 370200760 /nfs/dbraw/zinc/20/07/60/370200760.db2.gz KJVJJXIJXDUGLJ-GJZGRUSLSA-N 2 1 297.487 2.343 20 0 CEADMP Cn1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000354077259 370206738 /nfs/dbraw/zinc/20/67/38/370206738.db2.gz CPVRAAUBNBCBQT-MRXNPFEDSA-N 2 1 261.413 2.189 20 0 CEADMP Cn1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000354077259 370206742 /nfs/dbraw/zinc/20/67/42/370206742.db2.gz CPVRAAUBNBCBQT-MRXNPFEDSA-N 2 1 261.413 2.189 20 0 CEADMP Cn1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000354077259 370206747 /nfs/dbraw/zinc/20/67/47/370206747.db2.gz CPVRAAUBNBCBQT-MRXNPFEDSA-N 2 1 261.413 2.189 20 0 CEADMP Cn1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000354077259 370206753 /nfs/dbraw/zinc/20/67/53/370206753.db2.gz CPVRAAUBNBCBQT-MRXNPFEDSA-N 2 1 261.413 2.189 20 0 CEADMP Cn1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000354077258 370207475 /nfs/dbraw/zinc/20/74/75/370207475.db2.gz CPVRAAUBNBCBQT-INIZCTEOSA-N 2 1 261.413 2.189 20 0 CEADMP Cn1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000354077258 370207479 /nfs/dbraw/zinc/20/74/79/370207479.db2.gz CPVRAAUBNBCBQT-INIZCTEOSA-N 2 1 261.413 2.189 20 0 CEADMP Cn1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000354077258 370207482 /nfs/dbraw/zinc/20/74/82/370207482.db2.gz CPVRAAUBNBCBQT-INIZCTEOSA-N 2 1 261.413 2.189 20 0 CEADMP Cn1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000354077258 370207484 /nfs/dbraw/zinc/20/74/84/370207484.db2.gz CPVRAAUBNBCBQT-INIZCTEOSA-N 2 1 261.413 2.189 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CCC(C)C)C[C@H]1C ZINC000638121582 370318025 /nfs/dbraw/zinc/31/80/25/370318025.db2.gz GXQHSHULGCWFPX-QLFBSQMISA-N 2 1 283.460 2.081 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC[C@H]2CCO2)C1 ZINC000638122558 370318064 /nfs/dbraw/zinc/31/80/64/370318064.db2.gz KPDUDHGSWNNJJI-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638066511 370276275 /nfs/dbraw/zinc/27/62/75/370276275.db2.gz INCVYNRFWCDFGL-INIZCTEOSA-N 2 1 293.455 2.004 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224291090 370278074 /nfs/dbraw/zinc/27/80/74/370278074.db2.gz XJDWUXUAMBUVMZ-KGLIPLIRSA-N 2 1 275.396 2.074 20 0 CEADMP CC[NH2+][C@H](C)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000638078786 370284601 /nfs/dbraw/zinc/28/46/01/370284601.db2.gz GLFIGOFZHBZYMJ-CQSZACIVSA-N 2 1 291.439 2.141 20 0 CEADMP COCCc1ncc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000638116580 370313451 /nfs/dbraw/zinc/31/34/51/370313451.db2.gz JMDRIICMZXJULO-CHWSQXEVSA-N 2 1 297.468 2.247 20 0 CEADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)sn1 ZINC000638176123 370357912 /nfs/dbraw/zinc/35/79/12/370357912.db2.gz CDRPMHXNRMRUHR-OCCSQVGLSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)sn1 ZINC000638176123 370357913 /nfs/dbraw/zinc/35/79/13/370357913.db2.gz CDRPMHXNRMRUHR-OCCSQVGLSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)sn1 ZINC000638176123 370357914 /nfs/dbraw/zinc/35/79/14/370357914.db2.gz CDRPMHXNRMRUHR-OCCSQVGLSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)sn1 ZINC000638176123 370357915 /nfs/dbraw/zinc/35/79/15/370357915.db2.gz CDRPMHXNRMRUHR-OCCSQVGLSA-N 2 1 265.426 2.368 20 0 CEADMP CCC[C@H](C[N@H+]1CC[C@H](C[NH+](C)CCC)C1)OC ZINC000638128227 370324144 /nfs/dbraw/zinc/32/41/44/370324144.db2.gz QSUCHTZORSQQFA-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@H](C[N@H+](C)CCC)C1)OC ZINC000638128227 370324150 /nfs/dbraw/zinc/32/41/50/370324150.db2.gz QSUCHTZORSQQFA-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@H](C[N@@H+](C)CCC)C1)OC ZINC000638128227 370324154 /nfs/dbraw/zinc/32/41/54/370324154.db2.gz QSUCHTZORSQQFA-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP CC[C@@](C)(C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)OC ZINC000638132750 370325470 /nfs/dbraw/zinc/32/54/70/370325470.db2.gz HQYBUCZOPYFSNE-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@](C)(C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)OC ZINC000638132750 370325472 /nfs/dbraw/zinc/32/54/72/370325472.db2.gz HQYBUCZOPYFSNE-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@](C)(C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)OC ZINC000638132750 370325474 /nfs/dbraw/zinc/32/54/74/370325474.db2.gz HQYBUCZOPYFSNE-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@](C)(CC)OC)C1 ZINC000638134263 370327486 /nfs/dbraw/zinc/32/74/86/370327486.db2.gz NPOFDNVSXBMWMQ-CVEARBPZSA-N 2 1 286.460 2.234 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228206286 370400824 /nfs/dbraw/zinc/40/08/24/370400824.db2.gz LCBIZNYXPKNTHB-LSDHHAIUSA-N 2 1 262.397 2.351 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@H]21 ZINC000228535487 370405573 /nfs/dbraw/zinc/40/55/73/370405573.db2.gz DMOYZABDFABXIF-RRFJBIMHSA-N 2 1 288.391 2.017 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(O)cc(F)c3)C[C@H]21 ZINC000228739258 370413450 /nfs/dbraw/zinc/41/34/50/370413450.db2.gz ULUFMUXYRHUOSZ-KCPJHIHWSA-N 2 1 264.344 2.091 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)C[C@@H]21 ZINC000230125792 370440058 /nfs/dbraw/zinc/44/00/58/370440058.db2.gz RKBPBXVAQCDNTA-HRCADAONSA-N 2 1 272.392 2.181 20 0 CEADMP CO[C@@H](C[NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000638336497 370453345 /nfs/dbraw/zinc/45/33/45/370453345.db2.gz VDYPNKDZNAJCNI-SFHVURJKSA-N 2 1 288.435 2.449 20 0 CEADMP CO[C@@H](C[NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000638336497 370453346 /nfs/dbraw/zinc/45/33/46/370453346.db2.gz VDYPNKDZNAJCNI-SFHVURJKSA-N 2 1 288.435 2.449 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000638337796 370454574 /nfs/dbraw/zinc/45/45/74/370454574.db2.gz KEZPYXCSBBJZNG-UONOGXRCSA-N 2 1 279.428 2.341 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)ccn1 ZINC000638369112 370478271 /nfs/dbraw/zinc/47/82/71/370478271.db2.gz PNVJLHKSECJDGI-CWRNSKLLSA-N 2 1 289.423 2.238 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccn1 ZINC000638369112 370478276 /nfs/dbraw/zinc/47/82/76/370478276.db2.gz PNVJLHKSECJDGI-CWRNSKLLSA-N 2 1 289.423 2.238 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000638358305 370467905 /nfs/dbraw/zinc/46/79/05/370467905.db2.gz BRSMGYWACYTMCW-UKRRQHHQSA-N 2 1 289.423 2.095 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@H]2CC2(F)F)CC1 ZINC000638360131 370469800 /nfs/dbraw/zinc/46/98/00/370469800.db2.gz PLKUWVHTZYQFCG-ZIAGYGMSSA-N 2 1 289.414 2.037 20 0 CEADMP C[C@H](C[NH2+]CCC[C@H]1CCO1)[N@@H+]1CCCC[C@H]1C ZINC000638362018 370470625 /nfs/dbraw/zinc/47/06/25/370470625.db2.gz XOJDNQJSOLQQET-KFWWJZLASA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H](C[NH2+]CCC[C@H]1CCO1)[N@H+]1CCCC[C@H]1C ZINC000638362018 370470630 /nfs/dbraw/zinc/47/06/30/370470630.db2.gz XOJDNQJSOLQQET-KFWWJZLASA-N 2 1 254.418 2.408 20 0 CEADMP Cc1nnsc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000638366575 370475741 /nfs/dbraw/zinc/47/57/41/370475741.db2.gz OQDYNVUZNHIDML-LBPRGKRZSA-N 2 1 282.457 2.448 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000354716325 370476901 /nfs/dbraw/zinc/47/69/01/370476901.db2.gz LGTQVCIGGOEGBN-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP Cc1ccc(CCC[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cn1 ZINC000354626234 370439167 /nfs/dbraw/zinc/43/91/67/370439167.db2.gz HGVCHANYKYTKMF-IAGOWNOFSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000354626234 370439171 /nfs/dbraw/zinc/43/91/71/370439171.db2.gz HGVCHANYKYTKMF-IAGOWNOFSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cn1 ZINC000354626234 370439174 /nfs/dbraw/zinc/43/91/74/370439174.db2.gz HGVCHANYKYTKMF-IAGOWNOFSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cn1 ZINC000354626234 370439178 /nfs/dbraw/zinc/43/91/78/370439178.db2.gz HGVCHANYKYTKMF-IAGOWNOFSA-N 2 1 273.424 2.349 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CCC[C@@H]1CCO1 ZINC000638413303 370512989 /nfs/dbraw/zinc/51/29/89/370512989.db2.gz SBKFGZJDNPMBNS-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CCC[C@@H]1CCO1 ZINC000638413303 370512993 /nfs/dbraw/zinc/51/29/93/370512993.db2.gz SBKFGZJDNPMBNS-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000231426330 370479317 /nfs/dbraw/zinc/47/93/17/370479317.db2.gz ZTVRTYWWJZPNPQ-CQSZACIVSA-N 2 1 295.858 2.108 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc2ccccc2n1C ZINC000638457295 370546300 /nfs/dbraw/zinc/54/63/00/370546300.db2.gz KPUAITVQTLDFLG-UHFFFAOYSA-N 2 1 268.364 2.473 20 0 CEADMP OCc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000638428260 370523359 /nfs/dbraw/zinc/52/33/59/370523359.db2.gz ZHDQWRYXQCMFFV-UHFFFAOYSA-N 2 1 274.408 2.285 20 0 CEADMP COCC1(C[NH2+]CC2([NH+]3CCCC3)CCOCC2)CCC1 ZINC000638556607 370605080 /nfs/dbraw/zinc/60/50/80/370605080.db2.gz DCLITXXZZPAFQW-UHFFFAOYSA-N 2 1 296.455 2.038 20 0 CEADMP CO[C@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CC(C)C ZINC000639117366 370992763 /nfs/dbraw/zinc/99/27/63/370992763.db2.gz HUELZLPMTQQRDR-CVEARBPZSA-N 2 1 286.460 2.138 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCO2)[C@H](C)C1 ZINC000638594258 370624956 /nfs/dbraw/zinc/62/49/56/370624956.db2.gz FCVPPRYBKCCPLV-ZACQAIPSSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCSCC(F)(F)F ZINC000358299001 371001100 /nfs/dbraw/zinc/00/11/00/371001100.db2.gz IVNAKHGEBYAICQ-VHSXEESVSA-N 2 1 270.364 2.212 20 0 CEADMP C[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](C)[C@H]2C)[C@@H]1C ZINC000246867714 371022609 /nfs/dbraw/zinc/02/26/09/371022609.db2.gz CVUDZSYKWGEAMN-QKPAOTATSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](C)[C@H]2C)[C@@H]1C ZINC000246867714 371022616 /nfs/dbraw/zinc/02/26/16/371022616.db2.gz CVUDZSYKWGEAMN-QKPAOTATSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](C)[C@H]2C)[C@@H]1C ZINC000246867714 371022623 /nfs/dbraw/zinc/02/26/23/371022623.db2.gz CVUDZSYKWGEAMN-QKPAOTATSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC[NH+]2CCC2)CC1 ZINC000358340970 371023099 /nfs/dbraw/zinc/02/30/99/371023099.db2.gz NEDYRGJMHQOJHH-RDJZCZTQSA-N 2 1 279.472 2.325 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ncccc23)[C@H](C)C1 ZINC000358344023 371025097 /nfs/dbraw/zinc/02/50/97/371025097.db2.gz IHUCWNOVEDHIRU-CZUORRHYSA-N 2 1 286.423 2.425 20 0 CEADMP CCC[C@@H](C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)OC ZINC000639176403 371052297 /nfs/dbraw/zinc/05/22/97/371052297.db2.gz FZVILFRGNFWEGS-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000639169655 371042887 /nfs/dbraw/zinc/04/28/87/371042887.db2.gz HXPRQUQFPMBBNT-LBPRGKRZSA-N 2 1 299.365 2.063 20 0 CEADMP COc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1O ZINC000247042096 371054307 /nfs/dbraw/zinc/05/43/07/371054307.db2.gz OHTXEEQTVAWQLI-OUCADQQQSA-N 2 1 278.396 2.219 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1O ZINC000247042096 371054315 /nfs/dbraw/zinc/05/43/15/371054315.db2.gz OHTXEEQTVAWQLI-OUCADQQQSA-N 2 1 278.396 2.219 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccn(C(F)F)c1=O ZINC000639177443 371054701 /nfs/dbraw/zinc/05/47/01/371054701.db2.gz DHSUZAPSQMHTHO-WCQYABFASA-N 2 1 299.365 2.015 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccn(C(F)F)c1=O ZINC000639177443 371054705 /nfs/dbraw/zinc/05/47/05/371054705.db2.gz DHSUZAPSQMHTHO-WCQYABFASA-N 2 1 299.365 2.015 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccn(C(F)F)c1=O ZINC000639177443 371054709 /nfs/dbraw/zinc/05/47/09/371054709.db2.gz DHSUZAPSQMHTHO-WCQYABFASA-N 2 1 299.365 2.015 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccn(C(F)F)c1=O ZINC000639177443 371054711 /nfs/dbraw/zinc/05/47/11/371054711.db2.gz DHSUZAPSQMHTHO-WCQYABFASA-N 2 1 299.365 2.015 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)OC ZINC000639178802 371058113 /nfs/dbraw/zinc/05/81/13/371058113.db2.gz OZFOMGULACINDW-XGUBFFRZSA-N 2 1 256.434 2.320 20 0 CEADMP CC[C@H](C)[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)OC ZINC000639178802 371058116 /nfs/dbraw/zinc/05/81/16/371058116.db2.gz OZFOMGULACINDW-XGUBFFRZSA-N 2 1 256.434 2.320 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C)OC ZINC000639178802 371058119 /nfs/dbraw/zinc/05/81/19/371058119.db2.gz OZFOMGULACINDW-XGUBFFRZSA-N 2 1 256.434 2.320 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C)OC ZINC000639178802 371058123 /nfs/dbraw/zinc/05/81/23/371058123.db2.gz OZFOMGULACINDW-XGUBFFRZSA-N 2 1 256.434 2.320 20 0 CEADMP CCOC(=O)CCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247086885 371061484 /nfs/dbraw/zinc/06/14/84/371061484.db2.gz XHZMPBYTJKYYFO-UONOGXRCSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247086885 371061488 /nfs/dbraw/zinc/06/14/88/371061488.db2.gz XHZMPBYTJKYYFO-UONOGXRCSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247086885 371061491 /nfs/dbraw/zinc/06/14/91/371061491.db2.gz XHZMPBYTJKYYFO-UONOGXRCSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247086885 371061495 /nfs/dbraw/zinc/06/14/95/371061495.db2.gz XHZMPBYTJKYYFO-UONOGXRCSA-N 2 1 270.417 2.134 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)ccn1 ZINC000639192398 371074955 /nfs/dbraw/zinc/07/49/55/371074955.db2.gz TZGFOIJNSDCPQI-ZIAGYGMSSA-N 2 1 279.428 2.340 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)ccn1 ZINC000639192398 371074959 /nfs/dbraw/zinc/07/49/59/371074959.db2.gz TZGFOIJNSDCPQI-ZIAGYGMSSA-N 2 1 279.428 2.340 20 0 CEADMP c1ccc(-c2noc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)n2)cc1 ZINC000358497058 371091803 /nfs/dbraw/zinc/09/18/03/371091803.db2.gz ABTMVEGJCUCZGA-UHFFFAOYSA-N 2 1 298.390 2.312 20 0 CEADMP CO[C@](C)(C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000639257151 371156445 /nfs/dbraw/zinc/15/64/45/371156445.db2.gz JQEAPXQOXMFSDW-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CCO)c2ccccc2)[C@@H](C)C1 ZINC000248138608 371163237 /nfs/dbraw/zinc/16/32/37/371163237.db2.gz PJNBKQHETNVZQZ-SZMVWBNQSA-N 2 1 290.451 2.473 20 0 CEADMP Oc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000683722347 541848696 /nfs/dbraw/zinc/84/86/96/541848696.db2.gz FSTVGUGCURIENL-GVDBMIGSSA-N 2 1 286.419 2.466 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000248556809 371212524 /nfs/dbraw/zinc/21/25/24/371212524.db2.gz LEXLYFZFKQPUPR-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP COCC1(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CCC1 ZINC000639348066 371261505 /nfs/dbraw/zinc/26/15/05/371261505.db2.gz SVPAGSMDPOVPHT-AWEZNQCLSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000248976025 371277416 /nfs/dbraw/zinc/27/74/16/371277416.db2.gz DXIHPINBDXHCTC-YHUYYLMFSA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc[nH]c(=O)c2)CC1 ZINC000639486585 371356634 /nfs/dbraw/zinc/35/66/34/371356634.db2.gz SSHDETLNVYUXBP-UHFFFAOYSA-N 2 1 263.385 2.092 20 0 CEADMP O=c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc[nH]1 ZINC000639498166 371363725 /nfs/dbraw/zinc/36/37/25/371363725.db2.gz XVWCRDNJQNGJPD-HNNXBMFYSA-N 2 1 275.396 2.238 20 0 CEADMP C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000251870274 371420245 /nfs/dbraw/zinc/42/02/45/371420245.db2.gz TZEXWRJGETZXRF-SMDDNHRTSA-N 2 1 295.814 2.338 20 0 CEADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000251065655 371396435 /nfs/dbraw/zinc/39/64/35/371396435.db2.gz DDMWCFCDHVSDDM-IKGGRYGDSA-N 2 1 274.408 2.111 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000251318126 371399695 /nfs/dbraw/zinc/39/96/95/371399695.db2.gz LRVUOIMUDJJWGP-FZKCQIBNSA-N 2 1 266.429 2.406 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC(C)(C)CO1 ZINC000639528199 371385794 /nfs/dbraw/zinc/38/57/94/371385794.db2.gz PMZSSGAXAZVPRT-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP COC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252845056 371482785 /nfs/dbraw/zinc/48/27/85/371482785.db2.gz DXZWCWYDIKDORZ-GQKFXUNGSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000359893195 371492174 /nfs/dbraw/zinc/49/21/74/371492174.db2.gz BUEPLHNXCNYXPI-RBSFLKMASA-N 2 1 264.413 2.042 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000359368752 371449133 /nfs/dbraw/zinc/44/91/33/371449133.db2.gz FJHRVCRPXWTJRM-DLBZAZTESA-N 2 1 279.472 2.182 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCC[NH+]1CCCC[C@@H]1C ZINC000359413284 371462110 /nfs/dbraw/zinc/46/21/10/371462110.db2.gz UHGKJMCWHDICEW-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000359413284 371462114 /nfs/dbraw/zinc/46/21/14/371462114.db2.gz UHGKJMCWHDICEW-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NCCC[N@H+]1CCCC[C@@H]1C ZINC000359413284 371462119 /nfs/dbraw/zinc/46/21/19/371462119.db2.gz UHGKJMCWHDICEW-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP CCc1nc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000252667329 371465050 /nfs/dbraw/zinc/46/50/50/371465050.db2.gz IUXMHGVWADJMQE-YPMHNXCESA-N 2 1 265.426 2.422 20 0 CEADMP C[C@H]1CC[C@H](C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)O1 ZINC000639682907 371491369 /nfs/dbraw/zinc/49/13/69/371491369.db2.gz DFKCALUFTIFTPG-GOEBONIOSA-N 2 1 275.396 2.161 20 0 CEADMP CC(C)OCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682020 371491539 /nfs/dbraw/zinc/49/15/39/371491539.db2.gz DXMIVZIVMGEHOH-UHFFFAOYSA-N 2 1 277.412 2.409 20 0 CEADMP CC[NH+](CC)CCCN1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000639747380 371539360 /nfs/dbraw/zinc/53/93/60/371539360.db2.gz SPHVMPLJOBITNN-HNNXBMFYSA-N 2 1 269.477 2.380 20 0 CEADMP COc1cncc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639755794 371546044 /nfs/dbraw/zinc/54/60/44/371546044.db2.gz NAUXUHKDQXWILP-UHFFFAOYSA-N 2 1 275.396 2.008 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755806 371546726 /nfs/dbraw/zinc/54/67/26/371546726.db2.gz NGIBPEAVKXIROT-UHFFFAOYSA-N 2 1 265.426 2.369 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760662 371548683 /nfs/dbraw/zinc/54/86/83/371548683.db2.gz ZDDKELVELIUJBC-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000639763380 371550801 /nfs/dbraw/zinc/55/08/01/371550801.db2.gz RGKOGQNECVDLQR-ROUUACIJSA-N 2 1 288.435 2.453 20 0 CEADMP Cc1nnc([C@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)o1 ZINC000639683428 371493886 /nfs/dbraw/zinc/49/38/86/371493886.db2.gz YUICNZNLLNRDHY-LBPRGKRZSA-N 2 1 287.367 2.046 20 0 CEADMP Cc1nnc([C@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)o1 ZINC000639683428 371493893 /nfs/dbraw/zinc/49/38/93/371493893.db2.gz YUICNZNLLNRDHY-LBPRGKRZSA-N 2 1 287.367 2.046 20 0 CEADMP c1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc2c1CCC2 ZINC000257650728 371614644 /nfs/dbraw/zinc/61/46/44/371614644.db2.gz DFIJEXXIPXOQAX-KRWDZBQOSA-N 2 1 256.393 2.361 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(C)C ZINC000360956410 371561582 /nfs/dbraw/zinc/56/15/82/371561582.db2.gz HIBJDQQNQXKGJY-GJZGRUSLSA-N 2 1 283.460 2.001 20 0 CEADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cn1 ZINC000360976845 371576566 /nfs/dbraw/zinc/57/65/66/371576566.db2.gz WRIUEJFFANIPOD-YESZJQIVSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cn1 ZINC000360976845 371576571 /nfs/dbraw/zinc/57/65/71/371576571.db2.gz WRIUEJFFANIPOD-YESZJQIVSA-N 2 1 289.423 2.074 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639816722 371592325 /nfs/dbraw/zinc/59/23/25/371592325.db2.gz LMKXFWIALUBVBM-HZPDHXFCSA-N 2 1 291.443 2.180 20 0 CEADMP CC(C)=CCC[C@H](C)CC[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000361007914 371596439 /nfs/dbraw/zinc/59/64/39/371596439.db2.gz IZRPLGPFRGCNGW-HOTGVXAUSA-N 2 1 268.445 2.415 20 0 CEADMP CC(C)=CCC[C@H](C)CC[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000361007914 371596440 /nfs/dbraw/zinc/59/64/40/371596440.db2.gz IZRPLGPFRGCNGW-HOTGVXAUSA-N 2 1 268.445 2.415 20 0 CEADMP C[C@H]([NH3+])[C@H](C)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261551072 371643882 /nfs/dbraw/zinc/64/38/82/371643882.db2.gz QAOHFOWIGPWLPM-JKQORVJESA-N 2 1 275.440 2.222 20 0 CEADMP c1ccc(SCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261566981 371652332 /nfs/dbraw/zinc/65/23/32/371652332.db2.gz ILMMDRHTHCPLQB-UKRRQHHQSA-N 2 1 262.422 2.463 20 0 CEADMP c1ccc(SCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261566981 371652335 /nfs/dbraw/zinc/65/23/35/371652335.db2.gz ILMMDRHTHCPLQB-UKRRQHHQSA-N 2 1 262.422 2.463 20 0 CEADMP COc1ccc(CC[NH2+][C@](C)(C[NH3+])C(C)C)cc1 ZINC000261569254 371653728 /nfs/dbraw/zinc/65/37/28/371653728.db2.gz JSUJVUWUOQLOMJ-OAHLLOKOSA-N 2 1 250.386 2.201 20 0 CEADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@]1(C)CC[NH2+]C1 ZINC000261720101 371711182 /nfs/dbraw/zinc/71/11/82/371711182.db2.gz FVCSUMWMWYYXKI-INIZCTEOSA-N 2 1 276.380 2.237 20 0 CEADMP CCn1nccc1CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984834 371712453 /nfs/dbraw/zinc/71/24/53/371712453.db2.gz ZRBIBQALZVWGOB-UHFFFAOYSA-N 2 1 290.455 2.396 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)s1 ZINC000639997362 371722602 /nfs/dbraw/zinc/72/26/02/371722602.db2.gz YSDOEPGFXUQEFS-SNVBAGLBSA-N 2 1 264.398 2.468 20 0 CEADMP C[C@@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]C[C@H](O)C[NH+](C)C ZINC000361231277 371727920 /nfs/dbraw/zinc/72/79/20/371727920.db2.gz HWVJDDRZARZIGT-OKUQKKEKSA-N 2 1 294.483 2.494 20 0 CEADMP [NH3+]C1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000261789527 371731968 /nfs/dbraw/zinc/73/19/68/371731968.db2.gz GATLMJFKCJMCRJ-UHFFFAOYSA-N 2 1 260.381 2.399 20 0 CEADMP C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000639940067 371689951 /nfs/dbraw/zinc/68/99/51/371689951.db2.gz WTCQOZNIIGTJIQ-CZUORRHYSA-N 2 1 271.364 2.218 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261823108 371744192 /nfs/dbraw/zinc/74/41/92/371744192.db2.gz UEMQIHVMLMASKQ-HZPDHXFCSA-N 2 1 274.408 2.224 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000261845165 371748071 /nfs/dbraw/zinc/74/80/71/371748071.db2.gz WEMKMSYBLWHVED-INIZCTEOSA-N 2 1 270.380 2.043 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000261845165 371748080 /nfs/dbraw/zinc/74/80/80/371748080.db2.gz WEMKMSYBLWHVED-INIZCTEOSA-N 2 1 270.380 2.043 20 0 CEADMP Nc1ncc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000261886375 371761312 /nfs/dbraw/zinc/76/13/12/371761312.db2.gz SCKLHHHELULJEF-BXUZGUMPSA-N 2 1 292.452 2.174 20 0 CEADMP Nc1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000261886375 371761321 /nfs/dbraw/zinc/76/13/21/371761321.db2.gz SCKLHHHELULJEF-BXUZGUMPSA-N 2 1 292.452 2.174 20 0 CEADMP Nc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000261886375 371761332 /nfs/dbraw/zinc/76/13/32/371761332.db2.gz SCKLHHHELULJEF-BXUZGUMPSA-N 2 1 292.452 2.174 20 0 CEADMP Nc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000261886375 371761339 /nfs/dbraw/zinc/76/13/39/371761339.db2.gz SCKLHHHELULJEF-BXUZGUMPSA-N 2 1 292.452 2.174 20 0 CEADMP C[C@]1(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)CC[NH2+]C1 ZINC000261894742 371764499 /nfs/dbraw/zinc/76/44/99/371764499.db2.gz UQWQDEFGRIOHDR-MJBXVCDLSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccsc1 ZINC000262026741 371802654 /nfs/dbraw/zinc/80/26/54/371802654.db2.gz WRZQIBFWRLIZCJ-WDEREUQCSA-N 2 1 276.409 2.307 20 0 CEADMP C(=C/c1ccncc1)\C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000344065343 217035475 /nfs/dbraw/zinc/03/54/75/217035475.db2.gz PAIAKVZSFOMOJM-BGTMTDRBSA-N 2 1 268.364 2.144 20 0 CEADMP CCc1ccc([C@H]2CNCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262208585 371837538 /nfs/dbraw/zinc/83/75/38/371837538.db2.gz LHUYVVFRKHIHFA-GOSISDBHSA-N 2 1 287.451 2.195 20 0 CEADMP CCc1ccc([C@H]2C[NH2+]CCN2CC2CC[NH2+]CC2)cc1 ZINC000262208585 371837540 /nfs/dbraw/zinc/83/75/40/371837540.db2.gz LHUYVVFRKHIHFA-GOSISDBHSA-N 2 1 287.451 2.195 20 0 CEADMP CC(C)CNC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530734 372022256 /nfs/dbraw/zinc/02/22/56/372022256.db2.gz HNFGWYBNOYHCIE-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@H]1CCCOC1 ZINC000640534008 372023834 /nfs/dbraw/zinc/02/38/34/372023834.db2.gz ZKVWZLBFHXACLM-HNNXBMFYSA-N 2 1 254.418 2.363 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCc1cnccn1 ZINC000640534809 372024745 /nfs/dbraw/zinc/02/47/45/372024745.db2.gz VUCSPBFNGQFSTK-UHFFFAOYSA-N 2 1 276.428 2.217 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1(C)C ZINC000344159813 217079247 /nfs/dbraw/zinc/07/92/47/217079247.db2.gz DBNWXVVGFYESRT-PEBLQZBPSA-N 2 1 254.418 2.118 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1(C)C ZINC000344159813 217079248 /nfs/dbraw/zinc/07/92/48/217079248.db2.gz DBNWXVVGFYESRT-PEBLQZBPSA-N 2 1 254.418 2.118 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccncc1 ZINC000361767284 372061072 /nfs/dbraw/zinc/06/10/72/372061072.db2.gz WNCPXNSKEAGVPG-INIZCTEOSA-N 2 1 277.412 2.233 20 0 CEADMP C[N@@H+](CCc1ccccc1O)CC[C@@H]1CCC[NH+]1C ZINC000344221067 217104639 /nfs/dbraw/zinc/10/46/39/217104639.db2.gz RXHAJRFXWOVVNB-HNNXBMFYSA-N 2 1 262.397 2.351 20 0 CEADMP C[N@H+](CCc1ccccc1O)CC[C@@H]1CCC[NH+]1C ZINC000344221067 217104642 /nfs/dbraw/zinc/10/46/42/217104642.db2.gz RXHAJRFXWOVVNB-HNNXBMFYSA-N 2 1 262.397 2.351 20 0 CEADMP C[NH+](CCc1ccccc1O)CC[C@@H]1CCC[N@@H+]1C ZINC000344221067 217104644 /nfs/dbraw/zinc/10/46/44/217104644.db2.gz RXHAJRFXWOVVNB-HNNXBMFYSA-N 2 1 262.397 2.351 20 0 CEADMP C[NH+](CCc1ccccc1O)CC[C@@H]1CCC[N@H+]1C ZINC000344221067 217104649 /nfs/dbraw/zinc/10/46/49/217104649.db2.gz RXHAJRFXWOVVNB-HNNXBMFYSA-N 2 1 262.397 2.351 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000361892013 372118090 /nfs/dbraw/zinc/11/80/90/372118090.db2.gz DMGHWQMQEUHJES-LBPRGKRZSA-N 2 1 252.406 2.202 20 0 CEADMP CC[N@@H+]1[C@H](C)CN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)C[C@@H]1C ZINC000640607787 372062746 /nfs/dbraw/zinc/06/27/46/372062746.db2.gz YPJYBDKHSWFJMF-MJBXVCDLSA-N 2 1 283.460 2.094 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000361807466 372081003 /nfs/dbraw/zinc/08/10/03/372081003.db2.gz YXQGVMYTZZXUAV-STQMWFEESA-N 2 1 270.417 2.181 20 0 CEADMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CC2)[C@@H]1c1cccs1 ZINC000361943292 372140118 /nfs/dbraw/zinc/14/01/18/372140118.db2.gz KRCZTXAVWGWRET-GXFFZTMASA-N 2 1 278.425 2.017 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2cn3cc(C)ccc3n2)[C@@H](C)C1 ZINC000268823480 372241890 /nfs/dbraw/zinc/24/18/90/372241890.db2.gz APRLBDFOMVUXLG-HOCLYGCPSA-N 2 1 286.423 2.463 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CO)cc1 ZINC000268802223 372227694 /nfs/dbraw/zinc/22/76/94/372227694.db2.gz BKDMJNGIPPQVPT-VXGBXAGGSA-N 2 1 259.353 2.212 20 0 CEADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000268800159 372227951 /nfs/dbraw/zinc/22/79/51/372227951.db2.gz AVYGBWKGSKREBT-OLZOCXBDSA-N 2 1 268.426 2.164 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)o1 ZINC000268911011 372283798 /nfs/dbraw/zinc/28/37/98/372283798.db2.gz MVORMSPMQITKOU-CABCVRRESA-N 2 1 280.412 2.476 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000269030429 372317530 /nfs/dbraw/zinc/31/75/30/372317530.db2.gz RQZMYRDINCRDLQ-QHRIQVFBSA-N 2 1 282.453 2.415 20 0 CEADMP OCc1ccnc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000641673017 372620013 /nfs/dbraw/zinc/62/00/13/372620013.db2.gz FFKUBHKCVUDZSV-OAHLLOKOSA-N 2 1 275.396 2.108 20 0 CEADMP C[C@H]1CCC[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)CC1 ZINC000641765388 372703355 /nfs/dbraw/zinc/70/33/55/372703355.db2.gz ZWUFNHXSYMHOIB-LSDHHAIUSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2ccccc2)C2CCC2)C1 ZINC000641780737 372722832 /nfs/dbraw/zinc/72/28/32/372722832.db2.gz MWAXQAYFXWCTIN-SJORKVTESA-N 2 1 274.408 2.184 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2ccccc2)C2CCC2)C1 ZINC000641780737 372722838 /nfs/dbraw/zinc/72/28/38/372722838.db2.gz MWAXQAYFXWCTIN-SJORKVTESA-N 2 1 274.408 2.184 20 0 CEADMP c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)sn1 ZINC000641800594 372742028 /nfs/dbraw/zinc/74/20/28/372742028.db2.gz ZJCLMSINTJGTSG-WCQYABFASA-N 2 1 251.399 2.107 20 0 CEADMP c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)sn1 ZINC000641800594 372742032 /nfs/dbraw/zinc/74/20/32/372742032.db2.gz ZJCLMSINTJGTSG-WCQYABFASA-N 2 1 251.399 2.107 20 0 CEADMP Cc1ncccc1O[C@H]1CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000364514971 372746634 /nfs/dbraw/zinc/74/66/34/372746634.db2.gz UOCYCWDRMWCIEB-INIZCTEOSA-N 2 1 289.423 2.329 20 0 CEADMP Cc1ncccc1O[C@H]1CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000364514971 372746641 /nfs/dbraw/zinc/74/66/41/372746641.db2.gz UOCYCWDRMWCIEB-INIZCTEOSA-N 2 1 289.423 2.329 20 0 CEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)O1 ZINC000364533353 372748056 /nfs/dbraw/zinc/74/80/56/372748056.db2.gz KQQVFBCFPYNFQU-JZAWBGDQSA-N 2 1 296.455 2.033 20 0 CEADMP CCN(C(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641803307 372748483 /nfs/dbraw/zinc/74/84/83/372748483.db2.gz BTTYFRCHVYMRKU-NWANDNLSSA-N 2 1 289.423 2.143 20 0 CEADMP CC(C)N(C(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641804420 372749519 /nfs/dbraw/zinc/74/95/19/372749519.db2.gz IOPYZRBVHONISC-HUUCEWRRSA-N 2 1 289.423 2.143 20 0 CEADMP CC(C)N(C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641804421 372750581 /nfs/dbraw/zinc/75/05/81/372750581.db2.gz IOPYZRBVHONISC-LSDHHAIUSA-N 2 1 289.423 2.143 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000641798063 372737867 /nfs/dbraw/zinc/73/78/67/372737867.db2.gz GXHOBDBZFTZGSD-KGLIPLIRSA-N 2 1 277.412 2.367 20 0 CEADMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000353435815 220079641 /nfs/dbraw/zinc/07/96/41/220079641.db2.gz GMCIOFSTSCBELM-KBMXLJTQSA-N 2 1 289.423 2.066 20 0 CEADMP COCCSCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365340999 372832775 /nfs/dbraw/zinc/83/27/75/372832775.db2.gz CLOMYBRCZALNML-CQSZACIVSA-N 2 1 274.474 2.172 20 0 CEADMP CCC1(C)CN(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000642924428 372889116 /nfs/dbraw/zinc/88/91/16/372889116.db2.gz PEYJBKBGGUGYEV-INIZCTEOSA-N 2 1 276.424 2.211 20 0 CEADMP CCC1(C)C[NH+](C[C@@H](O)CN(C)Cc2ccccc2)C1 ZINC000642924428 372889128 /nfs/dbraw/zinc/88/91/28/372889128.db2.gz PEYJBKBGGUGYEV-INIZCTEOSA-N 2 1 276.424 2.211 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CCO[C@H]1CCCCO1)CC2 ZINC000365619392 372906430 /nfs/dbraw/zinc/90/64/30/372906430.db2.gz FUETUVSFFTWORY-HNNXBMFYSA-N 2 1 282.428 2.090 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CCO[C@H]1CCCCO1)CC2 ZINC000365619392 372906432 /nfs/dbraw/zinc/90/64/32/372906432.db2.gz FUETUVSFFTWORY-HNNXBMFYSA-N 2 1 282.428 2.090 20 0 CEADMP COc1ccc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)cc1OC ZINC000643056226 372936555 /nfs/dbraw/zinc/93/65/55/372936555.db2.gz KKHNZPAWINLZTE-CYBMUJFWSA-N 2 1 278.396 2.135 20 0 CEADMP Cc1nccn1CC[N@@H+](CCCO)Cc1ccccc1 ZINC000270876187 372994883 /nfs/dbraw/zinc/99/48/83/372994883.db2.gz MPFXMMYSKRGUPR-UHFFFAOYSA-N 2 1 273.380 2.076 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](CCCO)Cc1ccccc1 ZINC000270876187 372994899 /nfs/dbraw/zinc/99/48/99/372994899.db2.gz MPFXMMYSKRGUPR-UHFFFAOYSA-N 2 1 273.380 2.076 20 0 CEADMP COc1ncccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353552119 220152594 /nfs/dbraw/zinc/15/25/94/220152594.db2.gz XERURUYUMOJOCB-BZUAXINKSA-N 2 1 289.423 2.095 20 0 CEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C1CC[NH+](C)CC1 ZINC000643511286 373172361 /nfs/dbraw/zinc/17/23/61/373172361.db2.gz PGVNBXDYEIMWQS-CZUORRHYSA-N 3 1 267.461 2.214 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCO[C@@H]3CCCCO3)C2)CC1 ZINC000366867794 373126508 /nfs/dbraw/zinc/12/65/08/373126508.db2.gz VXVAZVZBLRUTQE-MRXNPFEDSA-N 2 1 296.455 2.337 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1COc2c1cccc2Cl ZINC000643466899 373136661 /nfs/dbraw/zinc/13/66/61/373136661.db2.gz ZVCGPNHSGFRTDE-AUTRQRHGSA-N 2 1 254.761 2.489 20 0 CEADMP CC(C)OC1CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000643475885 373144143 /nfs/dbraw/zinc/14/41/43/373144143.db2.gz VZBLVPDBSVXMND-XSCHDIRWSA-N 2 1 254.418 2.310 20 0 CEADMP Fc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ncc[nH]2)cc1 ZINC000643520448 373175836 /nfs/dbraw/zinc/17/58/36/373175836.db2.gz JHYWJZWGMQESDO-OAHLLOKOSA-N 2 1 286.354 2.148 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1nc2ccccc2n1C ZINC000643521765 373178086 /nfs/dbraw/zinc/17/80/86/373178086.db2.gz BIEMAVALOMMONE-CHWSQXEVSA-N 2 1 272.396 2.366 20 0 CEADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1nc2ccccc2n1C ZINC000643521768 373178421 /nfs/dbraw/zinc/17/84/21/373178421.db2.gz BIEMAVALOMMONE-STQMWFEESA-N 2 1 272.396 2.366 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@@H+](C)C3)C[C@H]2C1 ZINC000643882867 373292232 /nfs/dbraw/zinc/29/22/32/373292232.db2.gz CKVLZQYDNHICPE-ARKGTOAJSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643910794 373302949 /nfs/dbraw/zinc/30/29/49/373302949.db2.gz CAOBBDFHMPUKBP-HYVNUMGLSA-N 2 1 274.408 2.276 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353630908 220205588 /nfs/dbraw/zinc/20/55/88/220205588.db2.gz JHVLHDAUYSVHNC-FPCVCCKLSA-N 2 1 282.472 2.492 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCC(F)(F)C1 ZINC000644600414 373551976 /nfs/dbraw/zinc/55/19/76/373551976.db2.gz PRUFWFABEPIREN-GJZGRUSLSA-N 2 1 298.377 2.257 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCC(F)(F)C1 ZINC000644600414 373551982 /nfs/dbraw/zinc/55/19/82/373551982.db2.gz PRUFWFABEPIREN-GJZGRUSLSA-N 2 1 298.377 2.257 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000370670239 373712393 /nfs/dbraw/zinc/71/23/93/373712393.db2.gz YODPKBJVPRSVLA-IIAWOOMASA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000370670239 373712397 /nfs/dbraw/zinc/71/23/97/373712397.db2.gz YODPKBJVPRSVLA-IIAWOOMASA-N 2 1 299.422 2.086 20 0 CEADMP CCc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)nc(C)n1 ZINC000272924473 373715272 /nfs/dbraw/zinc/71/52/72/373715272.db2.gz ULRIFYROSJLFPK-BXUZGUMPSA-N 2 1 262.401 2.124 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)O ZINC000370634565 373702563 /nfs/dbraw/zinc/70/25/63/373702563.db2.gz LUDTYCVEBNLKBX-HOCLYGCPSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)O ZINC000370634565 373702567 /nfs/dbraw/zinc/70/25/67/373702567.db2.gz LUDTYCVEBNLKBX-HOCLYGCPSA-N 2 1 276.424 2.258 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC000370746622 373737537 /nfs/dbraw/zinc/73/75/37/373737537.db2.gz FUUSIMZTKRPCHA-CABCVRRESA-N 2 1 299.422 2.282 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000370746624 373737662 /nfs/dbraw/zinc/73/76/62/373737662.db2.gz FUUSIMZTKRPCHA-HUUCEWRRSA-N 2 1 299.422 2.282 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000272970565 373739918 /nfs/dbraw/zinc/73/99/18/373739918.db2.gz OWRDINVMVZWGRW-CYBMUJFWSA-N 2 1 271.364 2.475 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000272970565 373739923 /nfs/dbraw/zinc/73/99/23/373739923.db2.gz OWRDINVMVZWGRW-CYBMUJFWSA-N 2 1 271.364 2.475 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)ccn1 ZINC000371199133 373811249 /nfs/dbraw/zinc/81/12/49/373811249.db2.gz ROGGKXMJTUHMTJ-OAHLLOKOSA-N 2 1 298.390 2.419 20 0 CEADMP C[N@@H+]1CCN(CC[NH2+]Cc2ccco2)[C@@H](c2ccccc2)C1 ZINC000371438283 373882596 /nfs/dbraw/zinc/88/25/96/373882596.db2.gz FGGKYPPURLCAIU-GOSISDBHSA-N 2 1 299.418 2.358 20 0 CEADMP c1c[nH]c([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000372498906 374143668 /nfs/dbraw/zinc/14/36/68/374143668.db2.gz YUWGDDMEBDDWPS-HNNXBMFYSA-N 2 1 276.428 2.465 20 0 CEADMP c1c[nH]c([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000372498906 374143676 /nfs/dbraw/zinc/14/36/76/374143676.db2.gz YUWGDDMEBDDWPS-HNNXBMFYSA-N 2 1 276.428 2.465 20 0 CEADMP C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2cnc[nH]2)C1 ZINC000372603482 374165876 /nfs/dbraw/zinc/16/58/76/374165876.db2.gz ZSTXLVYTIKZXGW-INIZCTEOSA-N 2 1 270.380 2.116 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2cnc[nH]2)C1 ZINC000372603482 374165878 /nfs/dbraw/zinc/16/58/78/374165878.db2.gz ZSTXLVYTIKZXGW-INIZCTEOSA-N 2 1 270.380 2.116 20 0 CEADMP C[N@@H+](CCC[C@@H]1CCOC1)C[C@H]1CCC[NH+](C)C1 ZINC000645807793 374197640 /nfs/dbraw/zinc/19/76/40/374197640.db2.gz HPUVZODYUHKXPA-HUUCEWRRSA-N 2 1 254.418 2.077 20 0 CEADMP C[NH+](CCC[C@@H]1CCOC1)C[C@H]1CCC[N@H+](C)C1 ZINC000645807793 374197644 /nfs/dbraw/zinc/19/76/44/374197644.db2.gz HPUVZODYUHKXPA-HUUCEWRRSA-N 2 1 254.418 2.077 20 0 CEADMP C[NH+](CCC[C@@H]1CCOC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000645807793 374197650 /nfs/dbraw/zinc/19/76/50/374197650.db2.gz HPUVZODYUHKXPA-HUUCEWRRSA-N 2 1 254.418 2.077 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000372788046 374199544 /nfs/dbraw/zinc/19/95/44/374199544.db2.gz ZMMLONNHLJKEDF-HOCLYGCPSA-N 2 1 274.408 2.264 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000372788046 374199551 /nfs/dbraw/zinc/19/95/51/374199551.db2.gz ZMMLONNHLJKEDF-HOCLYGCPSA-N 2 1 274.408 2.264 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000372788046 374199556 /nfs/dbraw/zinc/19/95/56/374199556.db2.gz ZMMLONNHLJKEDF-HOCLYGCPSA-N 2 1 274.408 2.264 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000372788046 374199562 /nfs/dbraw/zinc/19/95/62/374199562.db2.gz ZMMLONNHLJKEDF-HOCLYGCPSA-N 2 1 274.408 2.264 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000372788046 374199568 /nfs/dbraw/zinc/19/95/68/374199568.db2.gz ZMMLONNHLJKEDF-HOCLYGCPSA-N 2 1 274.408 2.264 20 0 CEADMP Cn1ccnc1[C@H]1CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000373107320 374268155 /nfs/dbraw/zinc/26/81/55/374268155.db2.gz RNVXXAVIICYJAO-LBPRGKRZSA-N 2 1 251.450 2.477 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645963907 374315279 /nfs/dbraw/zinc/31/52/79/374315279.db2.gz CWUWKDDZSANASC-UONOGXRCSA-N 2 1 295.471 2.001 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnn3ccccc23)CC1 ZINC000277394405 374502273 /nfs/dbraw/zinc/50/22/73/374502273.db2.gz HDYYINDHPSOQKM-HNNXBMFYSA-N 2 1 272.396 2.250 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnn3ccccc23)CC1 ZINC000277394405 374502282 /nfs/dbraw/zinc/50/22/82/374502282.db2.gz HDYYINDHPSOQKM-HNNXBMFYSA-N 2 1 272.396 2.250 20 0 CEADMP Cn1ccc(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000374285280 374531589 /nfs/dbraw/zinc/53/15/89/374531589.db2.gz YMKHBNAEJBYKCN-AWEZNQCLSA-N 2 1 288.439 2.116 20 0 CEADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc2nccn2c1 ZINC000277811040 374654070 /nfs/dbraw/zinc/65/40/70/374654070.db2.gz GZVSMOOWYROWIS-HNNXBMFYSA-N 2 1 298.390 2.081 20 0 CEADMP CC(C)C[C@@H](C)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000375593956 374663784 /nfs/dbraw/zinc/66/37/84/374663784.db2.gz BDSIPVWADFSCJS-IAGOWNOFSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccsc2)CCCO1 ZINC000277861776 374670009 /nfs/dbraw/zinc/67/00/09/374670009.db2.gz NDSXGAHIDAANIK-ZDUSSCGKSA-N 2 1 268.426 2.339 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccsc2)CCCO1 ZINC000277861776 374670015 /nfs/dbraw/zinc/67/00/15/374670015.db2.gz NDSXGAHIDAANIK-ZDUSSCGKSA-N 2 1 268.426 2.339 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCOCC1 ZINC000375785301 374676668 /nfs/dbraw/zinc/67/66/68/374676668.db2.gz ZIJBDNWCPKQERQ-KFWWJZLASA-N 2 1 298.496 2.361 20 0 CEADMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCCC3)C2 ZINC000375839103 374684206 /nfs/dbraw/zinc/68/42/06/374684206.db2.gz HRUMDIBOPURFKD-UGQVUOCMSA-N 2 1 287.407 2.135 20 0 CEADMP C[NH+](C)Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000278219640 374754022 /nfs/dbraw/zinc/75/40/22/374754022.db2.gz WVLQSZANMARTEY-UHFFFAOYSA-N 2 1 286.379 2.394 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000278165385 374738274 /nfs/dbraw/zinc/73/82/74/374738274.db2.gz ATGWBOKVZGWSNQ-IKGGRYGDSA-N 2 1 274.408 2.245 20 0 CEADMP CO[C@]1(C)CCC[N@H+](CCCn2cc[nH+]c2C)CC1 ZINC000377393872 374845014 /nfs/dbraw/zinc/84/50/14/374845014.db2.gz VALKHXZDRWGMAI-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP CO[C@]1(C)CCC[N@@H+](CCCn2cc[nH+]c2C)CC1 ZINC000377393872 374845020 /nfs/dbraw/zinc/84/50/20/374845020.db2.gz VALKHXZDRWGMAI-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000279555127 374915979 /nfs/dbraw/zinc/91/59/79/374915979.db2.gz RETVAMDLINWLLL-NVXWUHKLSA-N 2 1 276.424 2.402 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCCO)CC[N@H+]1Cc1ccccc1 ZINC000279555127 374915985 /nfs/dbraw/zinc/91/59/85/374915985.db2.gz RETVAMDLINWLLL-NVXWUHKLSA-N 2 1 276.424 2.402 20 0 CEADMP CC(C)[C@]1(CO)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000377732635 374936572 /nfs/dbraw/zinc/93/65/72/374936572.db2.gz NPDYYVNJQXWEPW-MRXNPFEDSA-N 2 1 268.445 2.203 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000377737101 374938974 /nfs/dbraw/zinc/93/89/74/374938974.db2.gz MOSOZGUBFCYLCS-HNNXBMFYSA-N 2 1 264.417 2.170 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000377737101 374938979 /nfs/dbraw/zinc/93/89/79/374938979.db2.gz MOSOZGUBFCYLCS-HNNXBMFYSA-N 2 1 264.417 2.170 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(NCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000378191459 375038134 /nfs/dbraw/zinc/03/81/34/375038134.db2.gz PVKDSGCGNMFZNB-AWEZNQCLSA-N 2 1 299.422 2.284 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(NCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000378191459 375038136 /nfs/dbraw/zinc/03/81/36/375038136.db2.gz PVKDSGCGNMFZNB-AWEZNQCLSA-N 2 1 299.422 2.284 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(NCC[N@H+]2CCCC[C@H]2C)n1 ZINC000378191460 375038154 /nfs/dbraw/zinc/03/81/54/375038154.db2.gz PVKDSGCGNMFZNB-CQSZACIVSA-N 2 1 299.422 2.284 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(NCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000378191460 375038155 /nfs/dbraw/zinc/03/81/55/375038155.db2.gz PVKDSGCGNMFZNB-CQSZACIVSA-N 2 1 299.422 2.284 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000378371620 375085720 /nfs/dbraw/zinc/08/57/20/375085720.db2.gz SHXOCRDTRGXUQW-KFWWJZLASA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@]1(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC[NH2+]C1 ZINC000378226048 375048606 /nfs/dbraw/zinc/04/86/06/375048606.db2.gz VHDZTCVJUCXXKQ-PBHICJAKSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1ccc(OCCC[N@@H+](C)[C@@H](C)CN)cc1C ZINC000383014008 375196726 /nfs/dbraw/zinc/19/67/26/375196726.db2.gz GHFXGTBGWQVSIT-AWEZNQCLSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1ccc(OCCC[N@H+](C)[C@@H](C)CN)cc1C ZINC000383014008 375196732 /nfs/dbraw/zinc/19/67/32/375196732.db2.gz GHFXGTBGWQVSIT-AWEZNQCLSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1ccc(OCCC[N@@H+](C)[C@@H](C)C[NH3+])cc1C ZINC000383014008 375196737 /nfs/dbraw/zinc/19/67/37/375196737.db2.gz GHFXGTBGWQVSIT-AWEZNQCLSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1ccc(OCCC[N@H+](C)[C@@H](C)C[NH3+])cc1C ZINC000383014008 375196742 /nfs/dbraw/zinc/19/67/42/375196742.db2.gz GHFXGTBGWQVSIT-AWEZNQCLSA-N 2 1 250.386 2.351 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000387695511 375278999 /nfs/dbraw/zinc/27/89/99/375278999.db2.gz WDUVILUBVYDBPE-RRFJBIMHSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000387695509 375279204 /nfs/dbraw/zinc/27/92/04/375279204.db2.gz WDUVILUBVYDBPE-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP COCc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)o1 ZINC000397442276 375341700 /nfs/dbraw/zinc/34/17/00/375341700.db2.gz GIIROENRNHIUQT-UPJWGTAASA-N 2 1 266.385 2.231 20 0 CEADMP Cc1cccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1C ZINC000282542869 375513649 /nfs/dbraw/zinc/51/36/49/375513649.db2.gz ZZCZHZJFOKMHIB-UHFFFAOYSA-N 2 1 289.467 2.419 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)no1 ZINC000282834052 375588905 /nfs/dbraw/zinc/58/89/05/375588905.db2.gz SKGICGHDRKEOAA-ZYHUDNBSSA-N 2 1 262.357 2.475 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000414171696 375800455 /nfs/dbraw/zinc/80/04/55/375800455.db2.gz DNXOBHAKCPDGQQ-IUODEOHRSA-N 2 1 276.428 2.476 20 0 CEADMP CCc1ncc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000414274009 375814315 /nfs/dbraw/zinc/81/43/15/375814315.db2.gz ZYAYQMYHEVGYEI-UHFFFAOYSA-N 2 1 276.428 2.438 20 0 CEADMP CC[NH+]1CCC([NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC1 ZINC000414543823 375844188 /nfs/dbraw/zinc/84/41/88/375844188.db2.gz DQBVMRFMHQSRSP-UHFFFAOYSA-N 2 1 292.467 2.248 20 0 CEADMP COCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCSC1 ZINC000414760217 375952772 /nfs/dbraw/zinc/95/27/72/375952772.db2.gz GRIWCEVPWBXPQO-KFWWJZLASA-N 2 1 286.485 2.219 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000414795593 375980751 /nfs/dbraw/zinc/98/07/51/375980751.db2.gz NCRIXMKMWBKRIV-JQWIXIFHSA-N 2 1 251.399 2.238 20 0 CEADMP COc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1SC ZINC000414788470 375971451 /nfs/dbraw/zinc/97/14/51/375971451.db2.gz MTLMJMZEEKBYEG-UHFFFAOYSA-N 2 1 266.410 2.259 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000414792027 375973253 /nfs/dbraw/zinc/97/32/53/375973253.db2.gz IIFDWLXPXOZNGK-ZDUSSCGKSA-N 2 1 294.349 2.428 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2nccn2C(F)F)CC[NH2+]1 ZINC000414678393 375913698 /nfs/dbraw/zinc/91/36/98/375913698.db2.gz QRBXAFBZGZGAEQ-MNOVXSKESA-N 2 1 272.343 2.098 20 0 CEADMP CC(C)C[C@H]([NH3+])CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000414691874 375921003 /nfs/dbraw/zinc/92/10/03/375921003.db2.gz BWDQGGKCOYPLHM-GJZGRUSLSA-N 2 1 255.450 2.166 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC[NH2+]C(C)(C)C)[C@H](C)C1 ZINC000414694845 375922764 /nfs/dbraw/zinc/92/27/64/375922764.db2.gz GFTOODMTKAVUOS-KGLIPLIRSA-N 2 1 255.450 2.037 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@H]2c2ncc[nH]2)CC[NH2+]1 ZINC000414702027 375929154 /nfs/dbraw/zinc/92/91/54/375929154.db2.gz WVYOSLGAMREYDR-MCIONIFRSA-N 2 1 262.401 2.325 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414704654 375929926 /nfs/dbraw/zinc/92/99/26/375929926.db2.gz KROYRHBQFZGVSL-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](C)CCC2CCOCC2)CC[NH2+]1 ZINC000414715323 375937294 /nfs/dbraw/zinc/93/72/94/375937294.db2.gz WHVNCDJNIRJQJG-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP COc1ccc(C[C@H](C)C[NH2+][C@@H](C[NH3+])C2CC2)cc1F ZINC000414806841 375993030 /nfs/dbraw/zinc/99/30/30/375993030.db2.gz NMQGSQBPXWZOHO-NHYWBVRUSA-N 2 1 280.387 2.340 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)C1CC1 ZINC000414811831 375997399 /nfs/dbraw/zinc/99/73/99/375997399.db2.gz WRBXLJBYPPKKHE-ZDUSSCGKSA-N 2 1 288.313 2.455 20 0 CEADMP C[C@H](C[N@H+](C)C[C@@H](O)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000415065137 376020068 /nfs/dbraw/zinc/02/00/68/376020068.db2.gz FLJNKWHQNBTLOB-MFKMUULPSA-N 2 1 290.329 2.060 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000415065137 376020072 /nfs/dbraw/zinc/02/00/72/376020072.db2.gz FLJNKWHQNBTLOB-MFKMUULPSA-N 2 1 290.329 2.060 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H](C[NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000414798930 375982090 /nfs/dbraw/zinc/98/20/90/375982090.db2.gz CQFNOBSATDRGNR-OLMNPRSZSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000286878608 376089479 /nfs/dbraw/zinc/08/94/79/376089479.db2.gz CHUXRSWFQFWGKJ-HLLBOEOZSA-N 2 1 275.440 2.047 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000286878608 376089486 /nfs/dbraw/zinc/08/94/86/376089486.db2.gz CHUXRSWFQFWGKJ-HLLBOEOZSA-N 2 1 275.440 2.047 20 0 CEADMP C[C@H](CCC[NH3+])NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000417049822 376181421 /nfs/dbraw/zinc/18/14/21/376181421.db2.gz VJTXXOSTYWCNPY-HUUCEWRRSA-N 2 1 298.475 2.068 20 0 CEADMP C[C@H](CCC[NH3+])NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000417017852 376181577 /nfs/dbraw/zinc/18/15/77/376181577.db2.gz PKVWTKITJAXNDH-CQSZACIVSA-N 2 1 298.475 2.068 20 0 CEADMP Cc1ccnc(C)c1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000287385868 376219853 /nfs/dbraw/zinc/21/98/53/376219853.db2.gz CLRNBVCJYISOFB-KBPBESRZSA-N 2 1 288.395 2.256 20 0 CEADMP CCCN1CCN(C(=O)Nc2c(C)ccnc2C)CC1 ZINC000287385858 376219972 /nfs/dbraw/zinc/21/99/72/376219972.db2.gz CLNSSSMKTWXYHC-UHFFFAOYSA-N 2 1 276.384 2.258 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC000419222524 376402835 /nfs/dbraw/zinc/40/28/35/376402835.db2.gz XIWKOWBLQVSOAB-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOCC2CCC2)C1 ZINC000419222524 376402841 /nfs/dbraw/zinc/40/28/41/376402841.db2.gz XIWKOWBLQVSOAB-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000419219423 376399467 /nfs/dbraw/zinc/39/94/67/376399467.db2.gz SQCXKSDDHGUISY-RRFJBIMHSA-N 2 1 256.434 2.462 20 0 CEADMP CO[C@H](CC(C)C)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000419219423 376399473 /nfs/dbraw/zinc/39/94/73/376399473.db2.gz SQCXKSDDHGUISY-RRFJBIMHSA-N 2 1 256.434 2.462 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000419219423 376399476 /nfs/dbraw/zinc/39/94/76/376399476.db2.gz SQCXKSDDHGUISY-RRFJBIMHSA-N 2 1 256.434 2.462 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000419219423 376399479 /nfs/dbraw/zinc/39/94/79/376399479.db2.gz SQCXKSDDHGUISY-RRFJBIMHSA-N 2 1 256.434 2.462 20 0 CEADMP Cc1ccncc1CCCN1CCC[C@@]12CCOC2=O ZINC000289651868 376432616 /nfs/dbraw/zinc/43/26/16/376432616.db2.gz LOUGZRBUKWKMLR-INIZCTEOSA-N 2 1 274.364 2.104 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](CCOCC2CCC2)CC1 ZINC000419304210 376438587 /nfs/dbraw/zinc/43/85/87/376438587.db2.gz JPNAEAHXXXGOJS-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOCC2CCC2)CC1 ZINC000419304210 376438590 /nfs/dbraw/zinc/43/85/90/376438590.db2.gz JPNAEAHXXXGOJS-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NCc1c[nH+]ccc1N(C)C ZINC000289778422 376496258 /nfs/dbraw/zinc/49/62/58/376496258.db2.gz XYTAJJZXFHTQOY-CQSZACIVSA-N 2 1 278.444 2.358 20 0 CEADMP C[C@H]([NH2+]CCc1cn[nH]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289804820 376510351 /nfs/dbraw/zinc/51/03/51/376510351.db2.gz ODLJPKHVFOGBLV-YJBOKZPZSA-N 2 1 298.434 2.452 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000263836515 190081409 /nfs/dbraw/zinc/08/14/09/190081409.db2.gz CGDAOIDIOUTIJK-UHFFFAOYSA-N 2 1 275.396 2.226 20 0 CEADMP C[N@@H+](Cc1ccccc1CNC(N)=[NH2+])C1CCCCC1 ZINC000263952796 190086363 /nfs/dbraw/zinc/08/63/63/190086363.db2.gz HFMGCYPLQLCUKZ-UHFFFAOYSA-N 2 1 274.412 2.434 20 0 CEADMP Cc1[nH+]ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1Cl ZINC000684889164 542083578 /nfs/dbraw/zinc/08/35/78/542083578.db2.gz CPIKEXZZNZUHKW-TZMCWYRMSA-N 2 1 295.814 2.079 20 0 CEADMP C[C@H](NCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309684563 376600057 /nfs/dbraw/zinc/60/00/57/376600057.db2.gz AMFLOPQNWQRCRW-RDJZCZTQSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@H]([NH2+]CCN(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309684563 376600065 /nfs/dbraw/zinc/60/00/65/376600065.db2.gz AMFLOPQNWQRCRW-RDJZCZTQSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@H]([NH2+]CCN(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309684563 376600072 /nfs/dbraw/zinc/60/00/72/376600072.db2.gz AMFLOPQNWQRCRW-RDJZCZTQSA-N 2 1 275.440 2.048 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420198464 376608607 /nfs/dbraw/zinc/60/86/07/376608607.db2.gz CKOOKIKZLOHIQN-LBPRGKRZSA-N 2 1 299.374 2.312 20 0 CEADMP c1ccc(COCCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000309727371 376602719 /nfs/dbraw/zinc/60/27/19/376602719.db2.gz QFTMQRRRCQLTDP-DLBZAZTESA-N 2 1 274.408 2.277 20 0 CEADMP Cc1c[nH]nc1C[NH2+]CCCCNc1ccccn1 ZINC000289980515 376586031 /nfs/dbraw/zinc/58/60/31/376586031.db2.gz RRGPDXPNEVNPEJ-UHFFFAOYSA-N 2 1 259.357 2.095 20 0 CEADMP CC(C)OCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310724006 376632440 /nfs/dbraw/zinc/63/24/40/376632440.db2.gz BKWSUGQMTWKPPR-UHFFFAOYSA-N 2 1 254.418 2.408 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCCCC1 ZINC000310901473 376642832 /nfs/dbraw/zinc/64/28/32/376642832.db2.gz CIIYZGUUZJTEHZ-OAHLLOKOSA-N 2 1 254.418 2.096 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCCCCC1 ZINC000310901473 376642840 /nfs/dbraw/zinc/64/28/40/376642840.db2.gz CIIYZGUUZJTEHZ-OAHLLOKOSA-N 2 1 254.418 2.096 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)C1CCCCCC1)C1CC1 ZINC000310901473 376642849 /nfs/dbraw/zinc/64/28/49/376642849.db2.gz CIIYZGUUZJTEHZ-OAHLLOKOSA-N 2 1 254.418 2.096 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CCCCCC1)C1CC1 ZINC000310901473 376642859 /nfs/dbraw/zinc/64/28/59/376642859.db2.gz CIIYZGUUZJTEHZ-OAHLLOKOSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCOCC1 ZINC000558769969 376644371 /nfs/dbraw/zinc/64/43/71/376644371.db2.gz ONQXHTHALFLWRC-XJKSGUPXSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@H+](CCc1cccs1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290119194 376648464 /nfs/dbraw/zinc/64/84/64/376648464.db2.gz YOCHSXSOVLIBJS-AWEZNQCLSA-N 2 1 282.453 2.068 20 0 CEADMP CC[N@@H+](CCc1cccs1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290119194 376648466 /nfs/dbraw/zinc/64/84/66/376648466.db2.gz YOCHSXSOVLIBJS-AWEZNQCLSA-N 2 1 282.453 2.068 20 0 CEADMP CC[NH+](CCc1cccs1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290119194 376648467 /nfs/dbraw/zinc/64/84/67/376648467.db2.gz YOCHSXSOVLIBJS-AWEZNQCLSA-N 2 1 282.453 2.068 20 0 CEADMP CC[NH+](CCc1cccs1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290119194 376648468 /nfs/dbraw/zinc/64/84/68/376648468.db2.gz YOCHSXSOVLIBJS-AWEZNQCLSA-N 2 1 282.453 2.068 20 0 CEADMP [NH3+]C1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000420267235 376677202 /nfs/dbraw/zinc/67/72/02/376677202.db2.gz FHDLQHBHDSWHCQ-UHFFFAOYSA-N 2 1 272.751 2.281 20 0 CEADMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211956994 542094115 /nfs/dbraw/zinc/09/41/15/542094115.db2.gz KNAGQWYJUOHSIK-CXAGYDPISA-N 2 1 274.408 2.332 20 0 CEADMP COC1(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CCCC1 ZINC000318923575 376813200 /nfs/dbraw/zinc/81/32/00/376813200.db2.gz DLECUEMQUAWJOD-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP Cc1ccc(O)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000290512781 376814385 /nfs/dbraw/zinc/81/43/85/376814385.db2.gz PQGKQMKNAPBRNZ-ZFWWWQNUSA-N 2 1 275.396 2.012 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000290512781 376814390 /nfs/dbraw/zinc/81/43/90/376814390.db2.gz PQGKQMKNAPBRNZ-ZFWWWQNUSA-N 2 1 275.396 2.012 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000290512781 376814394 /nfs/dbraw/zinc/81/43/94/376814394.db2.gz PQGKQMKNAPBRNZ-ZFWWWQNUSA-N 2 1 275.396 2.012 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]C1CCN(C2CCC2)CC1 ZINC000422976261 376900033 /nfs/dbraw/zinc/90/00/33/376900033.db2.gz UTYORUTTXVGMOX-CYBMUJFWSA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000562280615 376857589 /nfs/dbraw/zinc/85/75/89/376857589.db2.gz AKCSNTFFETVHQL-WWGRRREGSA-N 2 1 286.423 2.392 20 0 CEADMP CCCn1cc[nH+]c1CCCN(C)Cc1csnn1 ZINC000290649868 376867124 /nfs/dbraw/zinc/86/71/24/376867124.db2.gz ZAXTXUDFJSVLNM-UHFFFAOYSA-N 2 1 279.413 2.209 20 0 CEADMP CCOc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422966167 376894133 /nfs/dbraw/zinc/89/41/33/376894133.db2.gz QVJFASXZOFNNBA-ARFHVFGLSA-N 2 1 289.423 2.491 20 0 CEADMP CCOc1cccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422998052 376914924 /nfs/dbraw/zinc/91/49/24/376914924.db2.gz PJLPECDXZGZTRH-XJKSGUPXSA-N 2 1 262.397 2.358 20 0 CEADMP CCCCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1 ZINC000423015718 376929406 /nfs/dbraw/zinc/92/94/06/376929406.db2.gz LGENVXSHXFXINB-XYPWUTKMSA-N 2 1 276.428 2.364 20 0 CEADMP CCN(CC)[C@H](C)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423086792 376979019 /nfs/dbraw/zinc/97/90/19/376979019.db2.gz ODMTWCXGYLJVEZ-CHWSQXEVSA-N 2 1 278.444 2.230 20 0 CEADMP C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000423069277 376959939 /nfs/dbraw/zinc/95/99/39/376959939.db2.gz DMRHBZLBBNIQFS-NWANDNLSSA-N 2 1 254.418 2.048 20 0 CEADMP C[C@@H]([NH2+]C1CC(C(F)(F)F)C1)c1c[nH+]ccc1N ZINC000423119384 377015818 /nfs/dbraw/zinc/01/58/18/377015818.db2.gz DSAAMHHMUFDTPG-AFPNSQJFSA-N 2 1 259.275 2.486 20 0 CEADMP COc1ccncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423136623 377035703 /nfs/dbraw/zinc/03/57/03/377035703.db2.gz VJMMORUSWUWQDA-RRFJBIMHSA-N 2 1 275.396 2.101 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423141692 377038486 /nfs/dbraw/zinc/03/84/86/377038486.db2.gz RIQAZPZCTSBIQY-QLFBSQMISA-N 2 1 255.450 2.214 20 0 CEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423102689 376996069 /nfs/dbraw/zinc/99/60/69/376996069.db2.gz OMURSRNLWOZGMV-QCODTGAPSA-N 2 1 266.429 2.169 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423105406 376998388 /nfs/dbraw/zinc/99/83/88/376998388.db2.gz ILWZEMXOQZAWSE-VVLHAWIVSA-N 2 1 279.472 2.371 20 0 CEADMP CCCN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423105406 376998392 /nfs/dbraw/zinc/99/83/92/376998392.db2.gz ILWZEMXOQZAWSE-VVLHAWIVSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000423113019 377008473 /nfs/dbraw/zinc/00/84/73/377008473.db2.gz YBPDOWXSXNXQDK-MLGOLLRUSA-N 2 1 257.381 2.298 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423197875 377112602 /nfs/dbraw/zinc/11/26/02/377112602.db2.gz BRHUCKPOGIWUDK-CQSZACIVSA-N 2 1 272.396 2.192 20 0 CEADMP C[C@@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423205588 377122186 /nfs/dbraw/zinc/12/21/86/377122186.db2.gz CCRKFEHHSSLIFK-WDEREUQCSA-N 2 1 254.324 2.237 20 0 CEADMP CCC1(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCCCC1 ZINC000563011455 377057491 /nfs/dbraw/zinc/05/74/91/377057491.db2.gz KATYEJAYJXMURI-OAHLLOKOSA-N 2 1 268.445 2.392 20 0 CEADMP CCC1(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCCCC1 ZINC000563011455 377057495 /nfs/dbraw/zinc/05/74/95/377057495.db2.gz KATYEJAYJXMURI-OAHLLOKOSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423160422 377063217 /nfs/dbraw/zinc/06/32/17/377063217.db2.gz HFGGTTSXLQVFFA-BBWFWOEESA-N 3 1 279.472 2.371 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C12CCC2 ZINC000423165887 377069977 /nfs/dbraw/zinc/06/99/77/377069977.db2.gz BOQLYGOMKITQNY-DDTOSNHZSA-N 2 1 261.369 2.102 20 0 CEADMP COc1cc(F)cc(C[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000423168634 377074745 /nfs/dbraw/zinc/07/47/45/377074745.db2.gz UWXPCPDVSLDMFI-WQGACYEGSA-N 2 1 280.387 2.495 20 0 CEADMP C[N@H+]1CC[C@H](NCC2([NH3+])CCCCC2)[C@@H]2CCC[C@H]21 ZINC000423175337 377085465 /nfs/dbraw/zinc/08/54/65/377085465.db2.gz DRVPVISEIMZTQA-SOUVJXGZSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[NH2+]C1 ZINC000423207810 377124771 /nfs/dbraw/zinc/12/47/71/377124771.db2.gz DOSCTAIEHDKIRX-MFKMUULPSA-N 2 1 254.324 2.237 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000563117916 377096724 /nfs/dbraw/zinc/09/67/24/377096724.db2.gz UMISWPYRPKSQHR-ZDUSSCGKSA-N 2 1 274.412 2.174 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000563117916 377096729 /nfs/dbraw/zinc/09/67/29/377096729.db2.gz UMISWPYRPKSQHR-ZDUSSCGKSA-N 2 1 274.412 2.174 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000563130201 377102462 /nfs/dbraw/zinc/10/24/62/377102462.db2.gz UKLGTBSZFHSYNQ-GFCCVEGCSA-N 2 1 288.420 2.376 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000563130201 377102472 /nfs/dbraw/zinc/10/24/72/377102472.db2.gz UKLGTBSZFHSYNQ-GFCCVEGCSA-N 2 1 288.420 2.376 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000563129972 377102695 /nfs/dbraw/zinc/10/26/95/377102695.db2.gz GOMPZWSLWZDINS-OAHLLOKOSA-N 2 1 274.408 2.225 20 0 CEADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000563135971 377102920 /nfs/dbraw/zinc/10/29/20/377102920.db2.gz PVWZHADJMYRWBW-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423207013 377125364 /nfs/dbraw/zinc/12/53/64/377125364.db2.gz XOLFWQRARNZEQN-MRXNPFEDSA-N 2 1 284.407 2.449 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000423273147 377194494 /nfs/dbraw/zinc/19/44/94/377194494.db2.gz ZYJPEBDNJAWXGF-CABCVRRESA-N 2 1 291.439 2.391 20 0 CEADMP C[NH2+]CC[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423223576 377139199 /nfs/dbraw/zinc/13/91/99/377139199.db2.gz GQENTHCCOUFHJO-HUUCEWRRSA-N 2 1 262.397 2.179 20 0 CEADMP C[NH2+]CC[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423223575 377139639 /nfs/dbraw/zinc/13/96/39/377139639.db2.gz GQENTHCCOUFHJO-GJZGRUSLSA-N 2 1 262.397 2.179 20 0 CEADMP COCC[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000563271661 377150788 /nfs/dbraw/zinc/15/07/88/377150788.db2.gz XNILUGWPBTWJOS-AWEZNQCLSA-N 2 1 262.397 2.448 20 0 CEADMP CC[NH2+]CCN[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000423253453 377172506 /nfs/dbraw/zinc/17/25/06/377172506.db2.gz ZCYUKZJQLZVSAC-ZDUSSCGKSA-N 2 1 272.396 2.441 20 0 CEADMP C[NH2+]CC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423252198 377173295 /nfs/dbraw/zinc/17/32/95/377173295.db2.gz XJKIYWKVTVCSTE-JTQLQIEISA-N 2 1 260.303 2.445 20 0 CEADMP C[C@H]1C[C@@H](NCC[NH2+]C2CCCCCC2)CC[N@H+]1C ZINC000423274983 377198540 /nfs/dbraw/zinc/19/85/40/377198540.db2.gz LCWYYPHAQTWEEN-HOCLYGCPSA-N 2 1 267.461 2.371 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000423268154 377186303 /nfs/dbraw/zinc/18/63/03/377186303.db2.gz GFIIBVMBTQUOTQ-DOMZBBRYSA-N 2 1 277.412 2.022 20 0 CEADMP N[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423284964 377212712 /nfs/dbraw/zinc/21/27/12/377212712.db2.gz ZBFJQXDKPKZKBR-APHBMKBZSA-N 2 1 259.397 2.111 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](COC)c1ccc(F)c(F)c1 ZINC000423283641 377212739 /nfs/dbraw/zinc/21/27/39/377212739.db2.gz XRJFBOHGEHECGV-IINYFYTJSA-N 2 1 272.339 2.097 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000423294955 377221544 /nfs/dbraw/zinc/22/15/44/377221544.db2.gz VVIJWQZHVKAQKM-VBNZEHGJSA-N 3 1 261.413 2.456 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000423295632 377225185 /nfs/dbraw/zinc/22/51/85/377225185.db2.gz XDEPVKRAZYIJHN-WWGRRREGSA-N 3 1 261.413 2.136 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCN(C)C[C@H]2C)cc1 ZINC000423295632 377225196 /nfs/dbraw/zinc/22/51/96/377225196.db2.gz XDEPVKRAZYIJHN-WWGRRREGSA-N 2 1 261.413 2.136 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423297245 377227097 /nfs/dbraw/zinc/22/70/97/377227097.db2.gz JKKAKRJIYRDEOY-AAVRWANBSA-N 2 1 254.418 2.297 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000563445098 377228433 /nfs/dbraw/zinc/22/84/33/377228433.db2.gz WVVQOIYRJAZMLW-XHSDSOJGSA-N 2 1 267.461 2.179 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCC4C[NH2+]C4)[C@H]3C2)cc1 ZINC000423300523 377229408 /nfs/dbraw/zinc/22/94/08/377229408.db2.gz FDCXFLPEGJPUGV-FHWLQOOXSA-N 2 1 299.462 2.096 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4C[NH2+]C4)[C@H]3C2)cc1 ZINC000423300523 377229412 /nfs/dbraw/zinc/22/94/12/377229412.db2.gz FDCXFLPEGJPUGV-FHWLQOOXSA-N 3 1 299.462 2.096 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4C[NH2+]C4)[C@H]3C2)cc1 ZINC000423300523 377229420 /nfs/dbraw/zinc/22/94/20/377229420.db2.gz FDCXFLPEGJPUGV-FHWLQOOXSA-N 3 1 299.462 2.096 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCC4C[NH2+]C4)[C@@H]3C2)cc1 ZINC000423300525 377229452 /nfs/dbraw/zinc/22/94/52/377229452.db2.gz FDCXFLPEGJPUGV-IPMKNSEASA-N 2 1 299.462 2.096 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4C[NH2+]C4)[C@@H]3C2)cc1 ZINC000423300525 377229456 /nfs/dbraw/zinc/22/94/56/377229456.db2.gz FDCXFLPEGJPUGV-IPMKNSEASA-N 3 1 299.462 2.096 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4C[NH2+]C4)[C@@H]3C2)cc1 ZINC000423300525 377229462 /nfs/dbraw/zinc/22/94/62/377229462.db2.gz FDCXFLPEGJPUGV-IPMKNSEASA-N 3 1 299.462 2.096 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000423304944 377234490 /nfs/dbraw/zinc/23/44/90/377234490.db2.gz ZSKUAPQSWKJJPD-DZGCQCFKSA-N 2 1 287.411 2.435 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423304777 377235073 /nfs/dbraw/zinc/23/50/73/377235073.db2.gz ZLACTVAJURRACA-ZIAGYGMSSA-N 2 1 254.418 2.443 20 0 CEADMP CCC[NH2+]CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423312392 377240899 /nfs/dbraw/zinc/24/08/99/377240899.db2.gz RSVWEMXHEMAXLG-SJLPKXTDSA-N 3 1 289.467 2.486 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000423318847 377248427 /nfs/dbraw/zinc/24/84/27/377248427.db2.gz ZLXWJMJEOGFSQM-SZMVWBNQSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000423322388 377252363 /nfs/dbraw/zinc/25/23/63/377252363.db2.gz HBKLRFYMZNLVNM-ILXRZTDVSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423327327 377260765 /nfs/dbraw/zinc/26/07/65/377260765.db2.gz MVZBPQAVEUVSLN-AWEZNQCLSA-N 3 1 291.439 2.159 20 0 CEADMP C[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423337985 377269947 /nfs/dbraw/zinc/26/99/47/377269947.db2.gz HWXGDPWBZRLYRT-LPHOPBHVSA-N 3 1 299.462 2.406 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)ccc1F ZINC000423277756 377201959 /nfs/dbraw/zinc/20/19/59/377201959.db2.gz OOQMCKCJWMVNDJ-ZANVPECISA-N 2 1 252.333 2.222 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000423278175 377204131 /nfs/dbraw/zinc/20/41/31/377204131.db2.gz QRFJHANCIZRDMN-VXGBXAGGSA-N 2 1 293.411 2.160 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](CC3=Cc4ccccc4OC3)C2)C1 ZINC000292839256 377307580 /nfs/dbraw/zinc/30/75/80/377307580.db2.gz SAWGDUFFFGGLPR-GOSISDBHSA-N 2 1 284.403 2.490 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3=Cc4ccccc4OC3)C2)C1 ZINC000292839256 377307590 /nfs/dbraw/zinc/30/75/90/377307590.db2.gz SAWGDUFFFGGLPR-GOSISDBHSA-N 2 1 284.403 2.490 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CC3=Cc4ccccc4OC3)C2)C1 ZINC000292839256 377307594 /nfs/dbraw/zinc/30/75/94/377307594.db2.gz SAWGDUFFFGGLPR-GOSISDBHSA-N 2 1 284.403 2.490 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3=Cc4ccccc4OC3)C2)C1 ZINC000292839256 377307604 /nfs/dbraw/zinc/30/76/04/377307604.db2.gz SAWGDUFFFGGLPR-GOSISDBHSA-N 2 1 284.403 2.490 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](CO)C1CCCCC1 ZINC000292910552 377346117 /nfs/dbraw/zinc/34/61/17/377346117.db2.gz FJGZFVJXJSXEAV-MRXNPFEDSA-N 2 1 291.439 2.426 20 0 CEADMP COc1cccc2c1CC[C@@H]([NH2+]CCc1c[nH+]cn1C)C2 ZINC000564516007 377401048 /nfs/dbraw/zinc/40/10/48/377401048.db2.gz MSHWPHDRCKBSCB-CQSZACIVSA-N 2 1 285.391 2.118 20 0 CEADMP C[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[NH+]1CC(C)C1 ZINC000564585258 377413529 /nfs/dbraw/zinc/41/35/29/377413529.db2.gz KYKXCJFPXNCWMJ-AWEZNQCLSA-N 2 1 289.423 2.069 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)ncn1 ZINC000293073383 377417325 /nfs/dbraw/zinc/41/73/25/377417325.db2.gz HDWPOFLEYHIAKH-WFASDCNBSA-N 2 1 271.368 2.065 20 0 CEADMP Cc1cc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)ncn1 ZINC000293073383 377417339 /nfs/dbraw/zinc/41/73/39/377417339.db2.gz HDWPOFLEYHIAKH-WFASDCNBSA-N 2 1 271.368 2.065 20 0 CEADMP Cc1cnc([C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000428366166 377490605 /nfs/dbraw/zinc/49/06/05/377490605.db2.gz WVBOATBJFNEUQP-DZKIICNBSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1cnc([C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cn1 ZINC000428366166 377490612 /nfs/dbraw/zinc/49/06/12/377490612.db2.gz WVBOATBJFNEUQP-DZKIICNBSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1cnc([C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cn1 ZINC000428366166 377490621 /nfs/dbraw/zinc/49/06/21/377490621.db2.gz WVBOATBJFNEUQP-DZKIICNBSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1cnc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000428366166 377490628 /nfs/dbraw/zinc/49/06/28/377490628.db2.gz WVBOATBJFNEUQP-DZKIICNBSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1cnc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000428366166 377490635 /nfs/dbraw/zinc/49/06/35/377490635.db2.gz WVBOATBJFNEUQP-DZKIICNBSA-N 2 1 274.412 2.262 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])C(C)C ZINC000430903276 377560386 /nfs/dbraw/zinc/56/03/86/377560386.db2.gz HDBQKVAKBBZNHU-HUUCEWRRSA-N 2 1 283.460 2.131 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)C(C)C ZINC000430900257 377560900 /nfs/dbraw/zinc/56/09/00/377560900.db2.gz PCHXKTVKWGAYEA-ZBFHGGJFSA-N 2 1 291.439 2.169 20 0 CEADMP CC1(C)C[C@H]([NH2+]C2CC[NH2+]CC2)c2cc(N)ccc2O1 ZINC000332301238 377563090 /nfs/dbraw/zinc/56/30/90/377563090.db2.gz NHVHEMRYVYATRW-AWEZNQCLSA-N 2 1 275.396 2.213 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000430967783 377578848 /nfs/dbraw/zinc/57/88/48/377578848.db2.gz UYQFCKHTKJWUPV-NXEZZACHSA-N 2 1 264.373 2.067 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)C(C)C ZINC000430967053 377578000 /nfs/dbraw/zinc/57/80/00/377578000.db2.gz QIEQZAWEIRMVRW-ZNMIVQPWSA-N 2 1 283.460 2.080 20 0 CEADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313348400 249393079 /nfs/dbraw/zinc/39/30/79/249393079.db2.gz UDIYDQVFUIGULK-GJZGRUSLSA-N 2 1 266.360 2.326 20 0 CEADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313348400 249393086 /nfs/dbraw/zinc/39/30/86/249393086.db2.gz UDIYDQVFUIGULK-GJZGRUSLSA-N 2 1 266.360 2.326 20 0 CEADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000313363590 249394690 /nfs/dbraw/zinc/39/46/90/249394690.db2.gz ZCWGHPORSBIPQO-ILXRZTDVSA-N 2 1 254.418 2.252 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C[NH2+]CC2 ZINC000565369038 377652819 /nfs/dbraw/zinc/65/28/19/377652819.db2.gz VDXIDHJAWZYGLD-MJGOQNOKSA-N 3 1 299.462 2.296 20 0 CEADMP c1cc2c(cc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C[NH2+]CC2 ZINC000565369038 377652825 /nfs/dbraw/zinc/65/28/25/377652825.db2.gz VDXIDHJAWZYGLD-MJGOQNOKSA-N 2 1 299.462 2.296 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000431625580 377657972 /nfs/dbraw/zinc/65/79/72/377657972.db2.gz OXPIUTGVCSZYAJ-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)CCC(C)C ZINC000565829168 377701947 /nfs/dbraw/zinc/70/19/47/377701947.db2.gz XUGCCUWPKBDRLU-HNNXBMFYSA-N 2 1 267.417 2.358 20 0 CEADMP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(F)cc1F ZINC000566063419 377716545 /nfs/dbraw/zinc/71/65/45/377716545.db2.gz STCNPIUVGLSDQL-BXUZGUMPSA-N 2 1 298.377 2.113 20 0 CEADMP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(F)cc1F ZINC000566063419 377716554 /nfs/dbraw/zinc/71/65/54/377716554.db2.gz STCNPIUVGLSDQL-BXUZGUMPSA-N 2 1 298.377 2.113 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCOC2(C)C)cn1 ZINC000293720221 377719388 /nfs/dbraw/zinc/71/93/88/377719388.db2.gz MKDSXFDOJJHOBS-AWEZNQCLSA-N 2 1 286.379 2.233 20 0 CEADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000566104858 377724808 /nfs/dbraw/zinc/72/48/08/377724808.db2.gz OUOAIMKHQAXGOH-HNNXBMFYSA-N 2 1 290.411 2.012 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(SC)cc1 ZINC000566922481 377783785 /nfs/dbraw/zinc/78/37/85/377783785.db2.gz KSWYRAQHPIUBNI-GXTWGEPZSA-N 2 1 282.453 2.372 20 0 CEADMP CCN(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000566922481 377783788 /nfs/dbraw/zinc/78/37/88/377783788.db2.gz KSWYRAQHPIUBNI-GXTWGEPZSA-N 2 1 282.453 2.372 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000567160387 377805616 /nfs/dbraw/zinc/80/56/16/377805616.db2.gz FMNYWXYKFLAXRL-CJNGLKHVSA-N 2 1 279.428 2.358 20 0 CEADMP C[NH2+]CCCN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000435876085 377812670 /nfs/dbraw/zinc/81/26/70/377812670.db2.gz GZORSZGXUGHATM-UHFFFAOYSA-N 2 1 295.858 2.457 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000435876085 377812675 /nfs/dbraw/zinc/81/26/75/377812675.db2.gz GZORSZGXUGHATM-UHFFFAOYSA-N 2 1 295.858 2.457 20 0 CEADMP C[NH2+]CCC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000435876085 377812682 /nfs/dbraw/zinc/81/26/82/377812682.db2.gz GZORSZGXUGHATM-UHFFFAOYSA-N 2 1 295.858 2.457 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000435877996 377813253 /nfs/dbraw/zinc/81/32/53/377813253.db2.gz WZOLLYYXLJTUOP-INIZCTEOSA-N 2 1 261.413 2.499 20 0 CEADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)CC(C)C ZINC000567486026 377828276 /nfs/dbraw/zinc/82/82/76/377828276.db2.gz XXLDAWZSELPUFA-HZPDHXFCSA-N 2 1 297.487 2.199 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567049336 377796343 /nfs/dbraw/zinc/79/63/43/377796343.db2.gz OLJFGPXHNLIRHT-INIZCTEOSA-N 2 1 282.428 2.185 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H]2CCOC2)C1 ZINC000438110995 377886478 /nfs/dbraw/zinc/88/64/78/377886478.db2.gz WYDUSWSDYZFVCB-LSDHHAIUSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000438110995 377886485 /nfs/dbraw/zinc/88/64/85/377886485.db2.gz WYDUSWSDYZFVCB-LSDHHAIUSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000438110995 377886490 /nfs/dbraw/zinc/88/64/90/377886490.db2.gz WYDUSWSDYZFVCB-LSDHHAIUSA-N 2 1 254.418 2.077 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000441360818 377938286 /nfs/dbraw/zinc/93/82/86/377938286.db2.gz YIINCWDIPSEKDK-CVEARBPZSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000442875162 378010829 /nfs/dbraw/zinc/01/08/29/378010829.db2.gz OFEVBOSDPULEHI-ZDUSSCGKSA-N 2 1 255.450 2.037 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442923704 378019121 /nfs/dbraw/zinc/01/91/21/378019121.db2.gz NADXGWPBGUUFDT-CYBMUJFWSA-N 2 1 278.444 2.106 20 0 CEADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CCSCC1 ZINC000442878151 378012056 /nfs/dbraw/zinc/01/20/56/378012056.db2.gz SMFAGRYOZHYAQW-AWEZNQCLSA-N 2 1 299.528 2.134 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)[C@H]1C ZINC000442878074 378012079 /nfs/dbraw/zinc/01/20/79/378012079.db2.gz SEIZFOYYQWHMEA-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@H]([NH3+])CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000442650134 377975473 /nfs/dbraw/zinc/97/54/73/377975473.db2.gz OKFOXCXNMDUBJC-HNNXBMFYSA-N 2 1 275.440 2.178 20 0 CEADMP C[C@H]([NH3+])C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000442650134 377975478 /nfs/dbraw/zinc/97/54/78/377975478.db2.gz OKFOXCXNMDUBJC-HNNXBMFYSA-N 3 1 275.440 2.178 20 0 CEADMP C[C@H]([NH3+])C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000442650134 377975486 /nfs/dbraw/zinc/97/54/86/377975486.db2.gz OKFOXCXNMDUBJC-HNNXBMFYSA-N 3 1 275.440 2.178 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1F ZINC000442758698 377992196 /nfs/dbraw/zinc/99/21/96/377992196.db2.gz BJVFTBCKWJKHAX-FRRDWIJNSA-N 2 1 293.386 2.130 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1F ZINC000442758698 377992202 /nfs/dbraw/zinc/99/22/02/377992202.db2.gz BJVFTBCKWJKHAX-FRRDWIJNSA-N 2 1 293.386 2.130 20 0 CEADMP O=C1CCN1c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000442819111 378003451 /nfs/dbraw/zinc/00/34/51/378003451.db2.gz HRAFNPGJOFOKSV-HOTGVXAUSA-N 2 1 299.418 2.140 20 0 CEADMP O=C1CCN1c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000442819111 378003456 /nfs/dbraw/zinc/00/34/56/378003456.db2.gz HRAFNPGJOFOKSV-HOTGVXAUSA-N 2 1 299.418 2.140 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)n2c1 ZINC000442933099 378021281 /nfs/dbraw/zinc/02/12/81/378021281.db2.gz ZTHRUTFDLCNQPG-AWEZNQCLSA-N 2 1 272.396 2.204 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@H+]1C ZINC000447590511 378123179 /nfs/dbraw/zinc/12/31/79/378123179.db2.gz CYLHMMBZKUVRKA-YCPHGPKFSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1C ZINC000447590511 378123184 /nfs/dbraw/zinc/12/31/84/378123184.db2.gz CYLHMMBZKUVRKA-YCPHGPKFSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@H+]2C2CC2)CC[NH+]1C ZINC000447590511 378123192 /nfs/dbraw/zinc/12/31/92/378123192.db2.gz CYLHMMBZKUVRKA-YCPHGPKFSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2C2CC2)CC[N@@H+]1C ZINC000447590511 378123197 /nfs/dbraw/zinc/12/31/97/378123197.db2.gz CYLHMMBZKUVRKA-YCPHGPKFSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2C2CC2)CC[N@H+]1C ZINC000447590511 378123205 /nfs/dbraw/zinc/12/32/05/378123205.db2.gz CYLHMMBZKUVRKA-YCPHGPKFSA-N 2 1 265.445 2.076 20 0 CEADMP CC[N@H+]1CCCN(C[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000450342745 378365338 /nfs/dbraw/zinc/36/53/38/378365338.db2.gz UGNJLGVYTBDNTL-MRXNPFEDSA-N 2 1 267.461 2.277 20 0 CEADMP CC[NH+]1CCCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450342745 378365343 /nfs/dbraw/zinc/36/53/43/378365343.db2.gz UGNJLGVYTBDNTL-MRXNPFEDSA-N 2 1 267.461 2.277 20 0 CEADMP CC[NH+]1CCCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450342745 378365345 /nfs/dbraw/zinc/36/53/45/378365345.db2.gz UGNJLGVYTBDNTL-MRXNPFEDSA-N 2 1 267.461 2.277 20 0 CEADMP CCC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000295963473 378372318 /nfs/dbraw/zinc/37/23/18/378372318.db2.gz JSAZTUMJNQDORM-FGTMMUONSA-N 2 1 288.435 2.211 20 0 CEADMP CCC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000295963473 378372322 /nfs/dbraw/zinc/37/23/22/378372322.db2.gz JSAZTUMJNQDORM-FGTMMUONSA-N 2 1 288.435 2.211 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cs1 ZINC000296218166 378455925 /nfs/dbraw/zinc/45/59/25/378455925.db2.gz ZTASTMPZLNOFSW-TZMCWYRMSA-N 2 1 268.426 2.164 20 0 CEADMP CCc1ccc2[nH+]ccc(N3CC[N@@H+](CCO)[C@@H](C)C3)c2c1 ZINC000450455792 378427549 /nfs/dbraw/zinc/42/75/49/378427549.db2.gz WCSXAXYZHJAYMB-AWEZNQCLSA-N 2 1 299.418 2.300 20 0 CEADMP CCc1nc(C)cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000296158418 378436953 /nfs/dbraw/zinc/43/69/53/378436953.db2.gz YLKHEZKTBAVJTC-YHWZYXNKSA-N 2 1 260.385 2.385 20 0 CEADMP CCc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(C)[nH+]1 ZINC000296158418 378436957 /nfs/dbraw/zinc/43/69/57/378436957.db2.gz YLKHEZKTBAVJTC-YHWZYXNKSA-N 2 1 260.385 2.385 20 0 CEADMP CCc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C)[nH+]1 ZINC000296158418 378436961 /nfs/dbraw/zinc/43/69/61/378436961.db2.gz YLKHEZKTBAVJTC-YHWZYXNKSA-N 2 1 260.385 2.385 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC1CC(F)(F)C1 ZINC000450598248 378492418 /nfs/dbraw/zinc/49/24/18/378492418.db2.gz JIOLHMLYOAPCFG-MGPQQGTHSA-N 2 1 288.382 2.215 20 0 CEADMP CS[C@@H]1CN(C[C@H]2CCCC[N@H+]2C(C)C)C[C@@H]1[NH+](C)C ZINC000450637757 378512079 /nfs/dbraw/zinc/51/20/79/378512079.db2.gz RFSUHAXWPGGBLW-OWCLPIDISA-N 2 1 299.528 2.227 20 0 CEADMP COc1nccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)n1 ZINC000296391729 378515162 /nfs/dbraw/zinc/51/51/62/378515162.db2.gz LACQUMQWTPIGKQ-AWEZNQCLSA-N 2 1 292.427 2.087 20 0 CEADMP CCC[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450723128 378548972 /nfs/dbraw/zinc/54/89/72/378548972.db2.gz BYZQJYFEEQRUOT-YCPHGPKFSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@H](O)CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450730740 378551880 /nfs/dbraw/zinc/55/18/80/378551880.db2.gz XNCIJEVTEAOMSZ-KKUMJFAQSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000451065357 378696241 /nfs/dbraw/zinc/69/62/41/378696241.db2.gz VBWBKHADQBMBEC-NXHRZFHOSA-N 2 1 288.435 2.179 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000451065357 378696248 /nfs/dbraw/zinc/69/62/48/378696248.db2.gz VBWBKHADQBMBEC-NXHRZFHOSA-N 2 1 288.435 2.179 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000451065357 378696251 /nfs/dbraw/zinc/69/62/51/378696251.db2.gz VBWBKHADQBMBEC-NXHRZFHOSA-N 2 1 288.435 2.179 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cccc2c1OCCO2 ZINC000346655268 217977996 /nfs/dbraw/zinc/97/79/96/217977996.db2.gz FVIMLLNERORVFN-AWEZNQCLSA-N 2 1 278.396 2.263 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc2c1OCCO2 ZINC000346655268 217977997 /nfs/dbraw/zinc/97/79/97/217977997.db2.gz FVIMLLNERORVFN-AWEZNQCLSA-N 2 1 278.396 2.263 20 0 CEADMP CC[NH+](CC)CCCN1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000451091904 378707321 /nfs/dbraw/zinc/70/73/21/378707321.db2.gz KQQLOALXQKYOOX-OAHLLOKOSA-N 2 1 267.461 2.134 20 0 CEADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1nc(C)cs1 ZINC000298563208 378767969 /nfs/dbraw/zinc/76/79/69/378767969.db2.gz WERBMPSKQIDQAZ-LBPRGKRZSA-N 2 1 264.398 2.468 20 0 CEADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CCC1 ZINC000453092546 378800302 /nfs/dbraw/zinc/80/03/02/378800302.db2.gz DPZDCKXUPATDIV-INIZCTEOSA-N 2 1 267.461 2.182 20 0 CEADMP CCN1CC[NH+](CCCC[NH2+]Cc2occc2C)CC1 ZINC000266234658 190241995 /nfs/dbraw/zinc/24/19/95/190241995.db2.gz VJKYPAOMAVPZNL-UHFFFAOYSA-N 2 1 279.428 2.095 20 0 CEADMP c1ccc(N[C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000346856507 218037259 /nfs/dbraw/zinc/03/72/59/218037259.db2.gz PKLIXTQEXMEFFI-ZBFHGGJFSA-N 2 1 259.397 2.172 20 0 CEADMP C[C@H](CCN[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000346864242 218041637 /nfs/dbraw/zinc/04/16/37/218041637.db2.gz FSAODYLIVGLADF-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H](CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000346864242 218041638 /nfs/dbraw/zinc/04/16/38/218041638.db2.gz FSAODYLIVGLADF-BZUAXINKSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000346864242 218041639 /nfs/dbraw/zinc/04/16/39/218041639.db2.gz FSAODYLIVGLADF-BZUAXINKSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)CC[N@H+]1C ZINC000453329800 378864264 /nfs/dbraw/zinc/86/42/64/378864264.db2.gz YBFIBRAGOKYRNI-QLFBSQMISA-N 2 1 266.429 2.408 20 0 CEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)OC ZINC000453240923 378837641 /nfs/dbraw/zinc/83/76/41/378837641.db2.gz CPXOGYDXVYMVDQ-BARDWOONSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21)C1CC1 ZINC000453395288 378884988 /nfs/dbraw/zinc/88/49/88/378884988.db2.gz HOPSMLVPWGUGJP-GVDBMIGSSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C1CC1 ZINC000453395288 378884994 /nfs/dbraw/zinc/88/49/94/378884994.db2.gz HOPSMLVPWGUGJP-GVDBMIGSSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C1CC1 ZINC000453395288 378884999 /nfs/dbraw/zinc/88/49/99/378884999.db2.gz HOPSMLVPWGUGJP-GVDBMIGSSA-N 3 1 279.472 2.323 20 0 CEADMP CN1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)[C@@H]2CCC[C@H]21 ZINC000453395288 378885005 /nfs/dbraw/zinc/88/50/05/378885005.db2.gz HOPSMLVPWGUGJP-GVDBMIGSSA-N 2 1 279.472 2.323 20 0 CEADMP CN1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H]2CCC[C@H]21 ZINC000453395288 378885010 /nfs/dbraw/zinc/88/50/10/378885010.db2.gz HOPSMLVPWGUGJP-GVDBMIGSSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC[NH+](C)C2CC2)[C@@H](C)C1 ZINC000453413844 378894178 /nfs/dbraw/zinc/89/41/78/378894178.db2.gz WNHOYTODXIFBCS-GOEBONIOSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)[C@@H](C)C1 ZINC000453413844 378894185 /nfs/dbraw/zinc/89/41/85/378894185.db2.gz WNHOYTODXIFBCS-GOEBONIOSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H](C)C1 ZINC000453413844 378894193 /nfs/dbraw/zinc/89/41/93/378894193.db2.gz WNHOYTODXIFBCS-GOEBONIOSA-N 3 1 267.461 2.181 20 0 CEADMP CCN1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)[C@@H](C)C1 ZINC000453413844 378894197 /nfs/dbraw/zinc/89/41/97/378894197.db2.gz WNHOYTODXIFBCS-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP CCN1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H](C)C1 ZINC000453413844 378894202 /nfs/dbraw/zinc/89/42/02/378894202.db2.gz WNHOYTODXIFBCS-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCC[NH+](C)C1CC1 ZINC000453415229 378896497 /nfs/dbraw/zinc/89/64/97/378896497.db2.gz XGLXIUINXCTQFT-IJEWVQPXSA-N 3 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453415229 378896501 /nfs/dbraw/zinc/89/65/01/378896501.db2.gz XGLXIUINXCTQFT-IJEWVQPXSA-N 3 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453415229 378896506 /nfs/dbraw/zinc/89/65/06/378896506.db2.gz XGLXIUINXCTQFT-IJEWVQPXSA-N 3 1 267.461 2.179 20 0 CEADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453415229 378896510 /nfs/dbraw/zinc/89/65/10/378896510.db2.gz XGLXIUINXCTQFT-IJEWVQPXSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453415229 378896516 /nfs/dbraw/zinc/89/65/16/378896516.db2.gz XGLXIUINXCTQFT-IJEWVQPXSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCOCC1 ZINC000453419397 378897767 /nfs/dbraw/zinc/89/77/67/378897767.db2.gz ZBRYTHJDKKKPRY-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP c1ccc(CC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000347000309 218086046 /nfs/dbraw/zinc/08/60/46/218086046.db2.gz GCWPPRVVYCLWLM-GOSISDBHSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccccc1N(C)C ZINC000347053545 218105755 /nfs/dbraw/zinc/10/57/55/218105755.db2.gz SMNLHRGZNHQXFO-ZFWWWQNUSA-N 2 1 261.413 2.454 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccccc1N(C)C ZINC000347053545 218105757 /nfs/dbraw/zinc/10/57/57/218105757.db2.gz SMNLHRGZNHQXFO-ZFWWWQNUSA-N 2 1 261.413 2.454 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000347052131 218105787 /nfs/dbraw/zinc/10/57/87/218105787.db2.gz VFZJBBSWCUTVIH-GJZGRUSLSA-N 2 1 297.487 2.390 20 0 CEADMP C[N@H+](CCOC1CCC1)CC[C@@H]1CCCC[NH+]1C ZINC000347054006 218106730 /nfs/dbraw/zinc/10/67/30/218106730.db2.gz MEEOONNWYDPXPI-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP C[N@@H+](CCOC1CCC1)CC[C@@H]1CCCC[NH+]1C ZINC000347054006 218106732 /nfs/dbraw/zinc/10/67/32/218106732.db2.gz MEEOONNWYDPXPI-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP C[NH+](CCOC1CCC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000347054006 218106734 /nfs/dbraw/zinc/10/67/34/218106734.db2.gz MEEOONNWYDPXPI-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP C[NH+](CCOC1CCC1)CC[C@@H]1CCCC[N@H+]1C ZINC000347054006 218106737 /nfs/dbraw/zinc/10/67/37/218106737.db2.gz MEEOONNWYDPXPI-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000347056614 218107247 /nfs/dbraw/zinc/10/72/47/218107247.db2.gz VPBZDFRGSUYDMH-CYBMUJFWSA-N 2 1 270.380 2.166 20 0 CEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000235297913 296285011 /nfs/dbraw/zinc/28/50/11/296285011.db2.gz WNBHBGNDFGQGMC-TUVASFSCSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000235297913 296285014 /nfs/dbraw/zinc/28/50/14/296285014.db2.gz WNBHBGNDFGQGMC-TUVASFSCSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(CC(F)(F)F)c2)C1 ZINC000347073759 218113759 /nfs/dbraw/zinc/11/37/59/218113759.db2.gz SMCGLCXHVDQJLF-CMPLNLGQSA-N 2 1 290.333 2.005 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(CC(F)(F)F)c2)C1 ZINC000347073759 218113760 /nfs/dbraw/zinc/11/37/60/218113760.db2.gz SMCGLCXHVDQJLF-CMPLNLGQSA-N 2 1 290.333 2.005 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](C/C=C\c2ccccc2OC)C1 ZINC000347082544 218116398 /nfs/dbraw/zinc/11/63/98/218116398.db2.gz ZLWVFQUJVBLHLQ-BRLPQQTGSA-N 2 1 260.381 2.250 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](C/C=C\c2ccccc2OC)C1 ZINC000347082544 218116400 /nfs/dbraw/zinc/11/64/00/218116400.db2.gz ZLWVFQUJVBLHLQ-BRLPQQTGSA-N 2 1 260.381 2.250 20 0 CEADMP C[N@H+](Cc1c[nH]nc1-c1cccs1)C1CC[NH2+]CC1 ZINC000347091455 218120285 /nfs/dbraw/zinc/12/02/85/218120285.db2.gz FMRIGSPGAJUFPE-UHFFFAOYSA-N 2 1 276.409 2.322 20 0 CEADMP C[N@@H+](Cc1c[nH]nc1-c1cccs1)C1CC[NH2+]CC1 ZINC000347091455 218120287 /nfs/dbraw/zinc/12/02/87/218120287.db2.gz FMRIGSPGAJUFPE-UHFFFAOYSA-N 2 1 276.409 2.322 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000347074911 218112864 /nfs/dbraw/zinc/11/28/64/218112864.db2.gz UDYLPLAGRCIQIM-ZDUSSCGKSA-N 2 1 284.350 2.372 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000347074911 218112866 /nfs/dbraw/zinc/11/28/66/218112866.db2.gz UDYLPLAGRCIQIM-ZDUSSCGKSA-N 2 1 284.350 2.372 20 0 CEADMP CCC1(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)CCOCC1 ZINC000347136182 218134827 /nfs/dbraw/zinc/13/48/27/218134827.db2.gz UBPQHQGIBCOSLY-UONOGXRCSA-N 2 1 254.418 2.252 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347121110 218130228 /nfs/dbraw/zinc/13/02/28/218130228.db2.gz KSZMTLQXJIMXIZ-NVXWUHKLSA-N 2 1 289.423 2.409 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347121110 218130231 /nfs/dbraw/zinc/13/02/31/218130231.db2.gz KSZMTLQXJIMXIZ-NVXWUHKLSA-N 2 1 289.423 2.409 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347121110 218130234 /nfs/dbraw/zinc/13/02/34/218130234.db2.gz KSZMTLQXJIMXIZ-NVXWUHKLSA-N 2 1 289.423 2.409 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347121110 218130237 /nfs/dbraw/zinc/13/02/37/218130237.db2.gz KSZMTLQXJIMXIZ-NVXWUHKLSA-N 2 1 289.423 2.409 20 0 CEADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1)C1CC[NH2+]CC1 ZINC000347199113 218153464 /nfs/dbraw/zinc/15/34/64/218153464.db2.gz IOGDVYOAWZOFET-UHFFFAOYSA-N 2 1 270.380 2.261 20 0 CEADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C1CC[NH2+]CC1 ZINC000347199113 218153467 /nfs/dbraw/zinc/15/34/67/218153467.db2.gz IOGDVYOAWZOFET-UHFFFAOYSA-N 2 1 270.380 2.261 20 0 CEADMP CCOC1CC([N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000347410465 218225262 /nfs/dbraw/zinc/22/52/62/218225262.db2.gz IDZXLBPAQRWEJZ-UHFFFAOYSA-N 2 1 251.374 2.081 20 0 CEADMP CCOC1CC([N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000347410465 218225264 /nfs/dbraw/zinc/22/52/64/218225264.db2.gz IDZXLBPAQRWEJZ-UHFFFAOYSA-N 2 1 251.374 2.081 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c(F)c1 ZINC000299932461 379145423 /nfs/dbraw/zinc/14/54/23/379145423.db2.gz YUIKUGKJXKZBDA-MNOVXSKESA-N 2 1 252.333 2.003 20 0 CEADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c(F)c1 ZINC000299932461 379145433 /nfs/dbraw/zinc/14/54/33/379145433.db2.gz YUIKUGKJXKZBDA-MNOVXSKESA-N 2 1 252.333 2.003 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000180458812 542264523 /nfs/dbraw/zinc/26/45/23/542264523.db2.gz SNNXSRRTQLEEAC-OCCSQVGLSA-N 2 1 264.417 2.489 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000180458812 542264527 /nfs/dbraw/zinc/26/45/27/542264527.db2.gz SNNXSRRTQLEEAC-OCCSQVGLSA-N 2 1 264.417 2.489 20 0 CEADMP CCc1cc(N2CCC([NH2+]C(C)C)CC2)nc(C)[nH+]1 ZINC000180433593 542264616 /nfs/dbraw/zinc/26/46/16/542264616.db2.gz MCJUYYYVCGNNOV-UHFFFAOYSA-N 2 1 262.401 2.314 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000300458317 379173524 /nfs/dbraw/zinc/17/35/24/379173524.db2.gz XFCJUJQUSPZOGQ-VQHPVUNQSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000300458317 379173530 /nfs/dbraw/zinc/17/35/30/379173530.db2.gz XFCJUJQUSPZOGQ-VQHPVUNQSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000300458317 379173539 /nfs/dbraw/zinc/17/35/39/379173539.db2.gz XFCJUJQUSPZOGQ-VQHPVUNQSA-N 2 1 280.456 2.486 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000300668339 379179136 /nfs/dbraw/zinc/17/91/36/379179136.db2.gz NPJSXSMTYZCHSR-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000300668339 379179139 /nfs/dbraw/zinc/17/91/39/379179139.db2.gz NPJSXSMTYZCHSR-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000266606604 190270694 /nfs/dbraw/zinc/27/06/94/190270694.db2.gz GPPFOHARXYWYFF-NVXWUHKLSA-N 2 1 276.424 2.302 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000266606604 190270695 /nfs/dbraw/zinc/27/06/95/190270695.db2.gz GPPFOHARXYWYFF-NVXWUHKLSA-N 2 1 276.424 2.302 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000266606604 190270696 /nfs/dbraw/zinc/27/06/96/190270696.db2.gz GPPFOHARXYWYFF-NVXWUHKLSA-N 2 1 276.424 2.302 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000266606604 190270697 /nfs/dbraw/zinc/27/06/97/190270697.db2.gz GPPFOHARXYWYFF-NVXWUHKLSA-N 2 1 276.424 2.302 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cscn1 ZINC000278967139 194233696 /nfs/dbraw/zinc/23/36/96/194233696.db2.gz NBXKHOHLXYZFOL-WDEREUQCSA-N 2 1 262.382 2.253 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000267210725 190311864 /nfs/dbraw/zinc/31/18/64/190311864.db2.gz HJVAPDWXENJRSF-QGTPRVQTSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000267210725 190311865 /nfs/dbraw/zinc/31/18/65/190311865.db2.gz HJVAPDWXENJRSF-QGTPRVQTSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000305158685 379666038 /nfs/dbraw/zinc/66/60/38/379666038.db2.gz WNGUCQSDIKTKLX-OIISXLGYSA-N 2 1 276.424 2.082 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457176131 379700196 /nfs/dbraw/zinc/70/01/96/379700196.db2.gz ZCAMSXQXNODPFD-ZDUSSCGKSA-N 2 1 283.460 2.144 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000457102760 379671792 /nfs/dbraw/zinc/67/17/92/379671792.db2.gz AJZKRZJNCLQETO-QXSJWSMHSA-N 2 1 295.471 2.189 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000457102760 379671800 /nfs/dbraw/zinc/67/18/00/379671800.db2.gz AJZKRZJNCLQETO-QXSJWSMHSA-N 2 1 295.471 2.189 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000457102760 379671806 /nfs/dbraw/zinc/67/18/06/379671806.db2.gz AJZKRZJNCLQETO-QXSJWSMHSA-N 2 1 295.471 2.189 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC000347728004 218336899 /nfs/dbraw/zinc/33/68/99/218336899.db2.gz CSHNBSHCEGKINB-JKSUJKDBSA-N 2 1 297.487 2.297 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305296794 379704799 /nfs/dbraw/zinc/70/47/99/379704799.db2.gz GQAHKGPCLTZZPQ-OAGGEKHMSA-N 2 1 268.445 2.390 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cn1 ZINC000527991388 379869830 /nfs/dbraw/zinc/86/98/30/379869830.db2.gz VFUPNIKMCUAEHS-BZUAXINKSA-N 2 1 289.423 2.095 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(CO)ccc2F)[C@@H](C)C1 ZINC000528414794 379964307 /nfs/dbraw/zinc/96/43/07/379964307.db2.gz HGOOAKUVJBEHPR-GUYCJALGSA-N 2 1 294.414 2.480 20 0 CEADMP C/C(Cl)=C\C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000528421435 379967495 /nfs/dbraw/zinc/96/74/95/379967495.db2.gz ODVVDDCTTFAAAW-NZQFFHFTSA-N 2 1 272.820 2.313 20 0 CEADMP C/C(Cl)=C\C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000528421435 379967499 /nfs/dbraw/zinc/96/74/99/379967499.db2.gz ODVVDDCTTFAAAW-NZQFFHFTSA-N 2 1 272.820 2.313 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC([NH+](C)C)CC1 ZINC000528350039 379942282 /nfs/dbraw/zinc/94/22/82/379942282.db2.gz KIZTUULXTABCKK-QGZVFWFLSA-N 2 1 294.414 2.409 20 0 CEADMP CC(C)n1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)nn1 ZINC000347875738 218386874 /nfs/dbraw/zinc/38/68/74/218386874.db2.gz XIWWKILBDSNCKN-UHFFFAOYSA-N 2 1 293.459 2.413 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000359491516 220273624 /nfs/dbraw/zinc/27/36/24/220273624.db2.gz FLTIZOCXHKZMJZ-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)cc1Cl ZINC000545866596 380392490 /nfs/dbraw/zinc/39/24/90/380392490.db2.gz DPWDBAOTLBIUES-ABAIWWIYSA-N 2 1 298.814 2.066 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000543729304 380339686 /nfs/dbraw/zinc/33/96/86/380339686.db2.gz CVVZCOUBKXUOIV-UHFFFAOYSA-N 2 1 272.396 2.384 20 0 CEADMP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cnn1C ZINC000544480925 380355635 /nfs/dbraw/zinc/35/56/35/380355635.db2.gz BNOHEPPHWMLRBM-JSGCOSHPSA-N 2 1 264.417 2.254 20 0 CEADMP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cnn1C ZINC000544480925 380355637 /nfs/dbraw/zinc/35/56/37/380355637.db2.gz BNOHEPPHWMLRBM-JSGCOSHPSA-N 2 1 264.417 2.254 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000548388278 380509542 /nfs/dbraw/zinc/50/95/42/380509542.db2.gz DYVJTAGQNGPXNU-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP CCC[NH+](CC)CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548388278 380509545 /nfs/dbraw/zinc/50/95/45/380509545.db2.gz DYVJTAGQNGPXNU-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP CCC[NH+](CC)CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548388278 380509547 /nfs/dbraw/zinc/50/95/47/380509547.db2.gz DYVJTAGQNGPXNU-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCCn2ccnc2)[C@H]2CCC[C@@H]21 ZINC000552034094 380677422 /nfs/dbraw/zinc/67/74/22/380677422.db2.gz DKBSFBLOQYFLLR-PMPSAXMXSA-N 3 1 276.428 2.126 20 0 CEADMP CN1CC[C@H]([NH2+]CCCCn2ccnc2)[C@H]2CCC[C@@H]21 ZINC000552034094 380677424 /nfs/dbraw/zinc/67/74/24/380677424.db2.gz DKBSFBLOQYFLLR-PMPSAXMXSA-N 3 1 276.428 2.126 20 0 CEADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000554551977 380781927 /nfs/dbraw/zinc/78/19/27/380781927.db2.gz PYHBDXXAPUFZTM-UHFFFAOYSA-N 2 1 272.396 2.256 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000554551977 380781932 /nfs/dbraw/zinc/78/19/32/380781932.db2.gz PYHBDXXAPUFZTM-UHFFFAOYSA-N 2 1 272.396 2.256 20 0 CEADMP c1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000556088367 380871248 /nfs/dbraw/zinc/87/12/48/380871248.db2.gz NRARIGUMAGLPBA-KRWDZBQOSA-N 2 1 274.408 2.373 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1nn(C)c2ccccc12 ZINC000359989478 220277345 /nfs/dbraw/zinc/27/73/45/220277345.db2.gz YIVZFQHQVNDMFQ-UKRRQHHQSA-N 2 1 286.423 2.046 20 0 CEADMP COCC[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414745141 285002415 /nfs/dbraw/zinc/00/24/15/285002415.db2.gz PCKBRZDJNMRUCL-JSGCOSHPSA-N 2 1 297.468 2.288 20 0 CEADMP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCCCC1 ZINC000336787660 285020672 /nfs/dbraw/zinc/02/06/72/285020672.db2.gz FNJUYFHHCJOWGE-HNNXBMFYSA-N 2 1 254.418 2.096 20 0 CEADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CCCCC1 ZINC000336787660 285020673 /nfs/dbraw/zinc/02/06/73/285020673.db2.gz FNJUYFHHCJOWGE-HNNXBMFYSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000336787660 285020674 /nfs/dbraw/zinc/02/06/74/285020674.db2.gz FNJUYFHHCJOWGE-HNNXBMFYSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCCC1 ZINC000336787660 285020675 /nfs/dbraw/zinc/02/06/75/285020675.db2.gz FNJUYFHHCJOWGE-HNNXBMFYSA-N 2 1 254.418 2.096 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000335240949 208005253 /nfs/dbraw/zinc/00/52/53/208005253.db2.gz ZVXFOGBSJIQHGR-UHFFFAOYSA-N 2 1 263.385 2.121 20 0 CEADMP Fc1ccc(/C=C/C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000335319682 208184000 /nfs/dbraw/zinc/18/40/00/208184000.db2.gz HJWYJUPDAPJXJJ-RIVGAVQESA-N 2 1 260.356 2.380 20 0 CEADMP Fc1ccc(/C=C/C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000335319682 208184006 /nfs/dbraw/zinc/18/40/06/208184006.db2.gz HJWYJUPDAPJXJJ-RIVGAVQESA-N 2 1 260.356 2.380 20 0 CEADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCCC[C@H]1C ZINC000351637911 285081508 /nfs/dbraw/zinc/08/15/08/285081508.db2.gz WLFOXVWMMUINAY-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCCC[C@H]1C ZINC000351637911 285081509 /nfs/dbraw/zinc/08/15/09/285081509.db2.gz WLFOXVWMMUINAY-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCCC[C@H]1C ZINC000351637911 285081510 /nfs/dbraw/zinc/08/15/10/285081510.db2.gz WLFOXVWMMUINAY-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCCC[C@H]1C ZINC000351637911 285081511 /nfs/dbraw/zinc/08/15/11/285081511.db2.gz WLFOXVWMMUINAY-FVQBIDKESA-N 2 1 268.445 2.342 20 0 CEADMP Cc1cccn2c(C[N@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cnc12 ZINC000335349231 208249553 /nfs/dbraw/zinc/24/95/53/208249553.db2.gz PGGRHGGKVZCLEF-CZUORRHYSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1cccn2c(C[N@@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cnc12 ZINC000335349231 208249555 /nfs/dbraw/zinc/24/95/55/208249555.db2.gz PGGRHGGKVZCLEF-CZUORRHYSA-N 2 1 272.396 2.059 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000289356634 197310579 /nfs/dbraw/zinc/31/05/79/197310579.db2.gz MFOWSPCDASYEQZ-WBVHZDCISA-N 2 1 292.423 2.191 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000289356634 197310581 /nfs/dbraw/zinc/31/05/81/197310581.db2.gz MFOWSPCDASYEQZ-WBVHZDCISA-N 2 1 292.423 2.191 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCC(C)C ZINC000337571672 285243004 /nfs/dbraw/zinc/24/30/04/285243004.db2.gz DIXNCXYNLYHTRL-MRXNPFEDSA-N 2 1 297.487 2.297 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)C(C)C ZINC000353727647 285246006 /nfs/dbraw/zinc/24/60/06/285246006.db2.gz JLKITCVLJQKAFX-JKSUJKDBSA-N 2 1 297.487 2.153 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)CCc1ccccc1 ZINC000281222085 195156215 /nfs/dbraw/zinc/15/62/15/195156215.db2.gz DUAAWPJTTNJDHG-SFHVURJKSA-N 2 1 290.451 2.398 20 0 CEADMP Cn1c(Cl)cnc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000281449343 195245543 /nfs/dbraw/zinc/24/55/43/195245543.db2.gz AEUAUZCDAIHDFM-UHFFFAOYSA-N 2 1 292.814 2.425 20 0 CEADMP Oc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335637113 285391735 /nfs/dbraw/zinc/39/17/35/285391735.db2.gz WDVAZPNSKZRUHK-LSDHHAIUSA-N 2 1 260.381 2.214 20 0 CEADMP CO[C@H](C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000191203784 130202172 /nfs/dbraw/zinc/20/21/72/130202172.db2.gz AGZCGSAKHYSFKJ-OAHLLOKOSA-N 2 1 276.424 2.318 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)CC[C@@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000355429522 394451807 /nfs/dbraw/zinc/45/18/07/394451807.db2.gz IPUHVTCRZRMWEE-JYJNAYRXSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1C[C@H](C)N(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1C ZINC000355429522 394451812 /nfs/dbraw/zinc/45/18/12/394451812.db2.gz IPUHVTCRZRMWEE-JYJNAYRXSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1C[C@H](C)N(C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1C ZINC000355429522 394451816 /nfs/dbraw/zinc/45/18/16/394451816.db2.gz IPUHVTCRZRMWEE-JYJNAYRXSA-N 2 1 295.471 2.192 20 0 CEADMP C[NH+](C)C1(C[NH2+]C2CCC(O)CC2)CCCCC1 ZINC000234253390 394482287 /nfs/dbraw/zinc/48/22/87/394482287.db2.gz MSHACXOODOMDNF-UHFFFAOYSA-N 2 1 254.418 2.144 20 0 CEADMP Cc1nccn1CC[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000355685510 394501887 /nfs/dbraw/zinc/50/18/87/394501887.db2.gz WZJCVRFNTMIGIA-GOSISDBHSA-N 2 1 299.418 2.261 20 0 CEADMP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000355740246 394518503 /nfs/dbraw/zinc/51/85/03/394518503.db2.gz YRKZKZPEJAPBIB-RBSFLKMASA-N 2 1 268.445 2.390 20 0 CEADMP Cc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(C)n1 ZINC000421381678 394519027 /nfs/dbraw/zinc/51/90/27/394519027.db2.gz LWJBSUGJOHKJBS-UHFFFAOYSA-N 2 1 259.397 2.415 20 0 CEADMP Cn1c(NCCCC[N@H+](C)C2CC2)[nH+]c2cccc(F)c21 ZINC000413348548 394532173 /nfs/dbraw/zinc/53/21/73/394532173.db2.gz OLBDUEFHOGJDPO-UHFFFAOYSA-N 2 1 290.386 2.421 20 0 CEADMP Cn1c(NCCCC[N@@H+](C)C2CC2)[nH+]c2cccc(F)c21 ZINC000413348548 394532174 /nfs/dbraw/zinc/53/21/74/394532174.db2.gz OLBDUEFHOGJDPO-UHFFFAOYSA-N 2 1 290.386 2.421 20 0 CEADMP COCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309981189 394533925 /nfs/dbraw/zinc/53/39/25/394533925.db2.gz VAOKXDPERDZVLX-IAGOWNOFSA-N 2 1 274.408 2.087 20 0 CEADMP COCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309981189 394533931 /nfs/dbraw/zinc/53/39/31/394533931.db2.gz VAOKXDPERDZVLX-IAGOWNOFSA-N 2 1 274.408 2.087 20 0 CEADMP COCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309981189 394533934 /nfs/dbraw/zinc/53/39/34/394533934.db2.gz VAOKXDPERDZVLX-IAGOWNOFSA-N 2 1 274.408 2.087 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000309997667 394534267 /nfs/dbraw/zinc/53/42/67/394534267.db2.gz CFKAXIOEUZFVPL-GOEBONIOSA-N 2 1 262.397 2.262 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC(C(C)(C)C)CC1)C1CC1 ZINC000311472225 394537428 /nfs/dbraw/zinc/53/74/28/394537428.db2.gz YSANQOYLLZGQFT-OAHLLOKOSA-N 2 1 268.445 2.200 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C(C)(C)C)CC1)C1CC1 ZINC000311472225 394537431 /nfs/dbraw/zinc/53/74/31/394537431.db2.gz YSANQOYLLZGQFT-OAHLLOKOSA-N 2 1 268.445 2.200 20 0 CEADMP CCOC[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000313211552 394542537 /nfs/dbraw/zinc/54/25/37/394542537.db2.gz KCRPBOHSQSDQDJ-KKUMJFAQSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413936119 394661394 /nfs/dbraw/zinc/66/13/94/394661394.db2.gz FSJJFIXCXIIBCA-WCQYABFASA-N 2 1 293.386 2.024 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCSC3)C2)C1 ZINC000334204118 394664064 /nfs/dbraw/zinc/66/40/64/394664064.db2.gz RVJYWVJNYLGRDR-UONOGXRCSA-N 2 1 254.443 2.157 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CCSC3)C2)C1 ZINC000334204118 394664069 /nfs/dbraw/zinc/66/40/69/394664069.db2.gz RVJYWVJNYLGRDR-UONOGXRCSA-N 2 1 254.443 2.157 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3CCSC3)C2)C1 ZINC000334204118 394664071 /nfs/dbraw/zinc/66/40/71/394664071.db2.gz RVJYWVJNYLGRDR-UONOGXRCSA-N 2 1 254.443 2.157 20 0 CEADMP Cc1cnc([C@@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000356967934 394666120 /nfs/dbraw/zinc/66/61/20/394666120.db2.gz ABLLKRLOLSHOGB-CQSZACIVSA-N 2 1 293.411 2.088 20 0 CEADMP C[N@@H+](CCc1ccc(F)cc1)C[C@H]1CCC[NH2+]C1 ZINC000259037464 394600400 /nfs/dbraw/zinc/60/04/00/394600400.db2.gz PFJGYXPONTVHGF-AWEZNQCLSA-N 2 1 250.361 2.300 20 0 CEADMP c1cnc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000421818694 394605025 /nfs/dbraw/zinc/60/50/25/394605025.db2.gz CBLGWPZLOVHFBB-GDBMZVCRSA-N 2 1 285.435 2.403 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000356793261 394615509 /nfs/dbraw/zinc/61/55/09/394615509.db2.gz WFHOYHOWXUTREY-GOEBONIOSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000356793261 394615514 /nfs/dbraw/zinc/61/55/14/394615514.db2.gz WFHOYHOWXUTREY-GOEBONIOSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000356793261 394615519 /nfs/dbraw/zinc/61/55/19/394615519.db2.gz WFHOYHOWXUTREY-GOEBONIOSA-N 2 1 295.471 2.238 20 0 CEADMP CCc1ccccc1NC(=O)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000262295950 394615571 /nfs/dbraw/zinc/61/55/71/394615571.db2.gz WSTJOBCOFKMBQG-UHFFFAOYSA-N 2 1 289.423 2.119 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCO1 ZINC000421852803 394616462 /nfs/dbraw/zinc/61/64/62/394616462.db2.gz HWGAJKACFUMICF-VQJWOFKYSA-N 2 1 254.418 2.262 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCC2)[C@@H](C)C1 ZINC000356796919 394616702 /nfs/dbraw/zinc/61/67/02/394616702.db2.gz ZLIJKURZRHRYAS-HOTGVXAUSA-N 2 1 298.471 2.282 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1 ZINC000356814267 394620716 /nfs/dbraw/zinc/62/07/16/394620716.db2.gz QLTXDBHHYHFAKU-CABCVRRESA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000334273670 394671204 /nfs/dbraw/zinc/67/12/04/394671204.db2.gz LBJVPFCZJQZIES-MRXNPFEDSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCCOC1 ZINC000356829742 394625025 /nfs/dbraw/zinc/62/50/25/394625025.db2.gz ALQBAXOJQZATNL-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCOC1 ZINC000356829742 394625028 /nfs/dbraw/zinc/62/50/28/394625028.db2.gz ALQBAXOJQZATNL-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414690740 394748462 /nfs/dbraw/zinc/74/84/62/394748462.db2.gz IGKIWGJBOIMQQX-PMPSAXMXSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358919416 394732380 /nfs/dbraw/zinc/73/23/80/394732380.db2.gz YBNIZXLCVMMBTM-AWEZNQCLSA-N 2 1 264.417 2.117 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358919416 394732382 /nfs/dbraw/zinc/73/23/82/394732382.db2.gz YBNIZXLCVMMBTM-AWEZNQCLSA-N 2 1 264.417 2.117 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CN[C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422737173 394748713 /nfs/dbraw/zinc/74/87/13/394748713.db2.gz HTIUHXVPSJTMQA-PBHICJAKSA-N 2 1 275.440 2.368 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422713339 394734234 /nfs/dbraw/zinc/73/42/34/394734234.db2.gz JKTPVZWEGQUDIS-JKSUJKDBSA-N 3 1 267.461 2.230 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422713862 394735129 /nfs/dbraw/zinc/73/51/29/394735129.db2.gz KJMYCOWWYXAHOB-KURKYZTESA-N 2 1 287.451 2.020 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422716984 394737163 /nfs/dbraw/zinc/73/71/63/394737163.db2.gz VCJUBLKODLZCEB-GJZGRUSLSA-N 2 1 299.528 2.454 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1csc2ccccc12 ZINC000357025524 394685464 /nfs/dbraw/zinc/68/54/64/394685464.db2.gz HKTRCQKKYPXXAU-UHFFFAOYSA-N 2 1 264.394 2.308 20 0 CEADMP CC[N@@H+](CCOCC[NH3+])Cc1ccc(Cl)s1 ZINC000357033981 394688118 /nfs/dbraw/zinc/68/81/18/394688118.db2.gz UNGBDRGRBDIINT-UHFFFAOYSA-N 2 1 262.806 2.199 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000414064396 394691694 /nfs/dbraw/zinc/69/16/94/394691694.db2.gz FRMFNNVCEVSBPL-CWRNSKLLSA-N 2 1 289.423 2.238 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cn1 ZINC000414064396 394691696 /nfs/dbraw/zinc/69/16/96/394691696.db2.gz FRMFNNVCEVSBPL-CWRNSKLLSA-N 2 1 289.423 2.238 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cn1 ZINC000414067065 394692642 /nfs/dbraw/zinc/69/26/42/394692642.db2.gz PZRNJAWKWRATSZ-AWEZNQCLSA-N 2 1 279.428 2.341 20 0 CEADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)[C@H]1C[C@@H]1C ZINC000414067000 394692806 /nfs/dbraw/zinc/69/28/06/394692806.db2.gz PYASNVSCWIOADF-ULQDDVLXSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357053702 394694722 /nfs/dbraw/zinc/69/47/22/394694722.db2.gz PPGFYMHZDFGNIQ-HYVNUMGLSA-N 2 1 258.409 2.407 20 0 CEADMP CC(C)N1CCCC[C@@H]1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000334522069 394696265 /nfs/dbraw/zinc/69/62/65/394696265.db2.gz IGMSPAUZYISRCL-CVEARBPZSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@]2(CCOC2)C1 ZINC000334522069 394696268 /nfs/dbraw/zinc/69/62/68/394696268.db2.gz IGMSPAUZYISRCL-CVEARBPZSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@]2(CCOC2)C1 ZINC000334522069 394696273 /nfs/dbraw/zinc/69/62/73/394696273.db2.gz IGMSPAUZYISRCL-CVEARBPZSA-N 2 1 266.429 2.362 20 0 CEADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H]1CC1(C)C ZINC000414085937 394698770 /nfs/dbraw/zinc/69/87/70/394698770.db2.gz ZAJGOEKRTIMMQL-LSDHHAIUSA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@H]1C[C@H]1C ZINC000414114250 394706526 /nfs/dbraw/zinc/70/65/26/394706526.db2.gz LKMQWSIDQCAMHS-PVAVHDDUSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCOc3c(F)cccc3C2)CC[NH2+]1 ZINC000334817812 394712845 /nfs/dbraw/zinc/71/28/45/394712845.db2.gz KAWJUVXJMFYQKU-STQMWFEESA-N 2 1 278.371 2.408 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1C[NH3+] ZINC000422564953 394713045 /nfs/dbraw/zinc/71/30/45/394713045.db2.gz XCEGYNHZGGVEMO-IPYPFGDCSA-N 2 1 278.444 2.443 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1C[NH3+] ZINC000422564953 394713047 /nfs/dbraw/zinc/71/30/47/394713047.db2.gz XCEGYNHZGGVEMO-IPYPFGDCSA-N 2 1 278.444 2.443 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000358264008 394715242 /nfs/dbraw/zinc/71/52/42/394715242.db2.gz YACWPVAMVUKHCN-HOCLYGCPSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC000358264008 394715244 /nfs/dbraw/zinc/71/52/44/394715244.db2.gz YACWPVAMVUKHCN-HOCLYGCPSA-N 2 1 262.397 2.021 20 0 CEADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1C[C@H]1C ZINC000414145997 394716338 /nfs/dbraw/zinc/71/63/38/394716338.db2.gz MNMLWGUTUVWNSQ-KFWWJZLASA-N 2 1 267.461 2.037 20 0 CEADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1nccn1C ZINC000414168827 394721230 /nfs/dbraw/zinc/72/12/30/394721230.db2.gz ARYUAZZGPXWUGU-UONOGXRCSA-N 2 1 264.417 2.193 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C12CCC2 ZINC000414171528 394722695 /nfs/dbraw/zinc/72/26/95/394722695.db2.gz CZFGWXLQPIVYSC-RBGFHDKUSA-N 2 1 278.440 2.406 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000414189296 394725236 /nfs/dbraw/zinc/72/52/36/394725236.db2.gz QTZMUVVLPWDKMG-LSDHHAIUSA-N 2 1 291.439 2.343 20 0 CEADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCC[C@@H]3N)CC2)CC1 ZINC000335018345 394727026 /nfs/dbraw/zinc/72/70/26/394727026.db2.gz FSMJFCCABOERNY-SJJHQCBESA-N 2 1 279.472 2.499 20 0 CEADMP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1F ZINC000422702827 394727807 /nfs/dbraw/zinc/72/78/07/394727807.db2.gz GALJYCNXRWMTDW-DOMZBBRYSA-N 2 1 280.387 2.497 20 0 CEADMP COC[C@@H]1CCCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414756312 394751172 /nfs/dbraw/zinc/75/11/72/394751172.db2.gz JNDVCGPWPFVGTH-RBSFLKMASA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@@H]([NH2+]Cc1cccc(-n2ccnc2)c1)[C@@H]1CCC[NH2+]1 ZINC000422741909 394751714 /nfs/dbraw/zinc/75/17/14/394751714.db2.gz FOXQURYBJCBCKR-SJORKVTESA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc2c1OC(F)(F)O2)[C@H]1CCC[NH2+]C1 ZINC000414822172 394751787 /nfs/dbraw/zinc/75/17/87/394751787.db2.gz MSIDYMFMYLFRIC-MNOVXSKESA-N 2 1 298.333 2.486 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422742551 394753098 /nfs/dbraw/zinc/75/30/98/394753098.db2.gz QIEYGMRJLUJCFO-NJAFHUGGSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)[C@H]1CCC[NH2+]1 ZINC000422742641 394753560 /nfs/dbraw/zinc/75/35/60/394753560.db2.gz SEWYVMQWQXRAKW-YWPYICTPSA-N 2 1 250.361 2.487 20 0 CEADMP C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1C[NH2+]C1 ZINC000422839183 394822527 /nfs/dbraw/zinc/82/25/27/394822527.db2.gz PUCGISUSQFRBLK-IIDMSEBBSA-N 2 1 287.451 2.095 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C1C[NH2+]C1 ZINC000422839183 394822530 /nfs/dbraw/zinc/82/25/30/394822530.db2.gz PUCGISUSQFRBLK-IIDMSEBBSA-N 2 1 287.451 2.095 20 0 CEADMP CC[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414836873 394762652 /nfs/dbraw/zinc/76/26/52/394762652.db2.gz WRNIEANXVJAUPO-NVXWUHKLSA-N 2 1 275.440 2.239 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000414960359 394826234 /nfs/dbraw/zinc/82/62/34/394826234.db2.gz APSNLKYJJQWJGS-INIZCTEOSA-N 2 1 284.407 2.350 20 0 CEADMP CC(C)c1ncc(C[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000414838430 394763179 /nfs/dbraw/zinc/76/31/79/394763179.db2.gz WRCGEBIGDANGRN-LLVKDONJSA-N 2 1 253.415 2.356 20 0 CEADMP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414839080 394763637 /nfs/dbraw/zinc/76/36/37/394763637.db2.gz FRWAKMDOVCGKJA-CVEARBPZSA-N 2 1 280.387 2.115 20 0 CEADMP CN(C)CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)C(C)(C)C ZINC000422766571 394768918 /nfs/dbraw/zinc/76/89/18/394768918.db2.gz RXCGZXCJRNGUPI-YMAMQOFZSA-N 2 1 269.477 2.460 20 0 CEADMP C[C@H]([NH2+]Cc1cccc2c1OCCCO2)[C@H]1CCC[NH2+]C1 ZINC000414848260 394769667 /nfs/dbraw/zinc/76/96/67/394769667.db2.gz GFNMBISSWJVPOZ-KBPBESRZSA-N 2 1 290.407 2.326 20 0 CEADMP Cc1ccncc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414860130 394775107 /nfs/dbraw/zinc/77/51/07/394775107.db2.gz OHLVCUBDQNRORK-UHFFFAOYSA-N 2 1 270.380 2.055 20 0 CEADMP CCOc1cccc(C[NH2+]CCC[NH2+]C)c1OC(F)F ZINC000414862136 394775682 /nfs/dbraw/zinc/77/56/82/394775682.db2.gz UWLNDWVNFMXLDW-UHFFFAOYSA-N 2 1 288.338 2.386 20 0 CEADMP CCC[NH2+]CCN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000414862486 394775943 /nfs/dbraw/zinc/77/59/43/394775943.db2.gz AQWFGEGBNZRRSI-WBVHZDCISA-N 2 1 275.440 2.096 20 0 CEADMP CC(C)n1nccc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414861693 394775975 /nfs/dbraw/zinc/77/59/75/394775975.db2.gz SYINYOVGXVMJGF-UHFFFAOYSA-N 2 1 287.411 2.129 20 0 CEADMP Cc1ccc([C@H](CN[C@H](C)C[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000422778369 394777721 /nfs/dbraw/zinc/77/77/21/394777721.db2.gz HIJQTBIFPAUPQB-FMKPAKJESA-N 2 1 263.429 2.313 20 0 CEADMP Cc1ccc(O[C@@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422780401 394779434 /nfs/dbraw/zinc/77/94/34/394779434.db2.gz DFCPOZKGJWAWEK-LZWOXQAQSA-N 2 1 262.397 2.492 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C12CCC2 ZINC000422786526 394784995 /nfs/dbraw/zinc/78/49/95/394784995.db2.gz SKFVWFMPMLHRRP-BYNSBNAKSA-N 2 1 266.429 2.454 20 0 CEADMP COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422795786 394792343 /nfs/dbraw/zinc/79/23/43/394792343.db2.gz WPWSSJABVNMDAB-XEZPLFJOSA-N 2 1 278.396 2.193 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)C1CC1 ZINC000414895335 394793439 /nfs/dbraw/zinc/79/34/39/394793439.db2.gz NCWWMNSXKKLFKP-SJORKVTESA-N 2 1 290.407 2.071 20 0 CEADMP Cc1ccc2cc(C[NH2+]C[C@H]([NH3+])C3CC3)ccc2n1 ZINC000414895748 394793918 /nfs/dbraw/zinc/79/39/18/394793918.db2.gz ZHINDLJVLZAZKK-HNNXBMFYSA-N 2 1 255.365 2.370 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F)C1CC1 ZINC000414900145 394796004 /nfs/dbraw/zinc/79/60/04/394796004.db2.gz VRIYZVHUNSDYIC-ZDUSSCGKSA-N 2 1 292.333 2.182 20 0 CEADMP C[C@H](NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000422801225 394797083 /nfs/dbraw/zinc/79/70/83/394797083.db2.gz BKZOCBYIPMTQPC-MAUKXSAKSA-N 2 1 287.451 2.165 20 0 CEADMP Fc1cc(F)cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422808012 394800694 /nfs/dbraw/zinc/80/06/94/394800694.db2.gz PRFRAVGSVYJNFG-OWCLPIDISA-N 2 1 296.361 2.212 20 0 CEADMP C[N@@H+](CCCN[C@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000422809248 394801685 /nfs/dbraw/zinc/80/16/85/394801685.db2.gz ROGZALCXDOTTFQ-GJZGRUSLSA-N 2 1 253.434 2.110 20 0 CEADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422812874 394805735 /nfs/dbraw/zinc/80/57/35/394805735.db2.gz XCZOBVZTWAFLKZ-HZPDHXFCSA-N 2 1 289.423 2.138 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000414925921 394805861 /nfs/dbraw/zinc/80/58/61/394805861.db2.gz KKMDEUNLDMAEOU-YDHLFZDLSA-N 2 1 292.423 2.222 20 0 CEADMP CCOC(=O)CCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000360972500 394811801 /nfs/dbraw/zinc/81/18/01/394811801.db2.gz NGDGGCDXPMHILO-OAGGEKHMSA-N 2 1 294.439 2.136 20 0 CEADMP CCOC(=O)CCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360972500 394811805 /nfs/dbraw/zinc/81/18/05/394811805.db2.gz NGDGGCDXPMHILO-OAGGEKHMSA-N 2 1 294.439 2.136 20 0 CEADMP CCOC(=O)CCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360972500 394811809 /nfs/dbraw/zinc/81/18/09/394811809.db2.gz NGDGGCDXPMHILO-OAGGEKHMSA-N 2 1 294.439 2.136 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414940344 394813259 /nfs/dbraw/zinc/81/32/59/394813259.db2.gz XQGXFGSZZRENAF-IPYPFGDCSA-N 2 1 262.397 2.214 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)n1 ZINC000414939134 394813447 /nfs/dbraw/zinc/81/34/47/394813447.db2.gz ZBWJIPGVWLPWEV-HIFRSBDPSA-N 2 1 291.439 2.389 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000422825437 394814080 /nfs/dbraw/zinc/81/40/80/394814080.db2.gz AIMOCZJPBNHPTC-WMLDXEAASA-N 2 1 298.434 2.196 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000422825715 394814108 /nfs/dbraw/zinc/81/41/08/394814108.db2.gz AVIKGXZSLIULQX-BFYDXBDKSA-N 2 1 273.424 2.101 20 0 CEADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000414942082 394814445 /nfs/dbraw/zinc/81/44/45/394814445.db2.gz JQHXSRMZIUZMPV-MNOVXSKESA-N 2 1 283.803 2.302 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2ccccc2)CC[NH2+]1 ZINC000414947053 394816361 /nfs/dbraw/zinc/81/63/61/394816361.db2.gz KITSEARRPXJXFF-KGLIPLIRSA-N 2 1 270.380 2.102 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000414945795 394816464 /nfs/dbraw/zinc/81/64/64/394816464.db2.gz IWRWZQKWRNVMPW-CMPLNLGQSA-N 2 1 252.333 2.064 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(N)c2)[C@@H](C)C1 ZINC000414959987 394826054 /nfs/dbraw/zinc/82/60/54/394826054.db2.gz GMPRQQTYKSXFLK-XJKSGUPXSA-N 2 1 261.413 2.397 20 0 CEADMP COc1cc2c(c(C[NH2+]C3(C)CC[NH2+]CC3)c1)O[C@H](C)C2 ZINC000414949344 394819220 /nfs/dbraw/zinc/81/92/20/394819220.db2.gz ZYHZXLUKYNYOSL-GFCCVEGCSA-N 2 1 290.407 2.250 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H](NCC(C)(C)[NH+](C)C)[C@@H](C)C1 ZINC000359368443 394750330 /nfs/dbraw/zinc/75/03/30/394750330.db2.gz GFCRREVSVJKVMX-JKSUJKDBSA-N 3 1 299.503 2.053 20 0 CEADMP COCC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@@H]1CC[C@@H](C)C1 ZINC000414754187 394750449 /nfs/dbraw/zinc/75/04/49/394750449.db2.gz NNSTUXCIPSLCBO-RBSFLKMASA-N 2 1 256.434 2.497 20 0 CEADMP CCOc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000415053733 394866462 /nfs/dbraw/zinc/86/64/62/394866462.db2.gz PARPVKARQXZRPX-ZBFHGGJFSA-N 2 1 289.423 2.444 20 0 CEADMP CCOc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000415053733 394866467 /nfs/dbraw/zinc/86/64/67/394866467.db2.gz PARPVKARQXZRPX-ZBFHGGJFSA-N 2 1 289.423 2.444 20 0 CEADMP Cn1cnc2cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc21 ZINC000415052573 394866534 /nfs/dbraw/zinc/86/65/34/394866534.db2.gz IPWHHPHXBXBJHS-AWEZNQCLSA-N 2 1 260.385 2.036 20 0 CEADMP C[N@@H+](CCCc1c(Cl)cccc1Cl)C[C@@H](O)C[NH3+] ZINC000415064809 394871261 /nfs/dbraw/zinc/87/12/61/394871261.db2.gz DQRJMKPNEIRAGB-JTQLQIEISA-N 2 1 291.222 2.177 20 0 CEADMP CC(C)[NH+](CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000129677558 394871497 /nfs/dbraw/zinc/87/14/97/394871497.db2.gz OBNPVMBZZSQGRV-LSDHHAIUSA-N 2 1 255.450 2.178 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)OC ZINC000362975971 394871933 /nfs/dbraw/zinc/87/19/33/394871933.db2.gz IDPWXXVSCOJKEO-LXFSFDBISA-N 2 1 256.434 2.366 20 0 CEADMP CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000336803108 394873438 /nfs/dbraw/zinc/87/34/38/394873438.db2.gz XCKWYTMLUMWFFZ-GJZGRUSLSA-N 2 1 265.401 2.207 20 0 CEADMP CC[C@H](O)[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000336803108 394873440 /nfs/dbraw/zinc/87/34/40/394873440.db2.gz XCKWYTMLUMWFFZ-GJZGRUSLSA-N 2 1 265.401 2.207 20 0 CEADMP C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)[C@H]1CCC[NH2+]1 ZINC000422985471 394873827 /nfs/dbraw/zinc/87/38/27/394873827.db2.gz DYJNOXCOETZXLY-RKTXRCNFSA-N 2 1 274.408 2.494 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)[nH+]1 ZINC000415090422 394885692 /nfs/dbraw/zinc/88/56/92/394885692.db2.gz ORYNDNSNDTWDGS-HNNXBMFYSA-N 3 1 288.439 2.091 20 0 CEADMP Cc1ccsc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423012486 394882286 /nfs/dbraw/zinc/88/22/86/394882286.db2.gz DEMARLLJYQWDIP-RBSFLKMASA-N 2 1 294.464 2.346 20 0 CEADMP CC(C)Cc1ncc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)s1 ZINC000414966969 394829474 /nfs/dbraw/zinc/82/94/74/394829474.db2.gz XDKNGXMRTPAEFA-YPMHNXCESA-N 2 1 267.442 2.429 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000422852484 394829475 /nfs/dbraw/zinc/82/94/75/394829475.db2.gz AVPWCLLKMWGEGU-QLFBSQMISA-N 3 1 255.450 2.214 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000422852484 394829476 /nfs/dbraw/zinc/82/94/76/394829476.db2.gz AVPWCLLKMWGEGU-QLFBSQMISA-N 3 1 255.450 2.214 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000422859076 394833424 /nfs/dbraw/zinc/83/34/24/394833424.db2.gz JPMLOIGAZIDEKY-KFWWJZLASA-N 3 1 255.450 2.356 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000422859076 394833428 /nfs/dbraw/zinc/83/34/28/394833428.db2.gz JPMLOIGAZIDEKY-KFWWJZLASA-N 3 1 255.450 2.356 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cn1 ZINC000414976430 394833436 /nfs/dbraw/zinc/83/34/36/394833436.db2.gz QAKWKVSENSPOOJ-AWEZNQCLSA-N 2 1 276.428 2.015 20 0 CEADMP CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414978715 394835063 /nfs/dbraw/zinc/83/50/63/394835063.db2.gz SHLOPOZIOKJXFP-MSOLQXFVSA-N 2 1 289.467 2.281 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000422864340 394837140 /nfs/dbraw/zinc/83/71/40/394837140.db2.gz UULBQCLPLIULLY-BMFZPTHFSA-N 2 1 265.445 2.253 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000422866650 394837882 /nfs/dbraw/zinc/83/78/82/394837882.db2.gz QPAJHGOHHDJBSQ-QKPAOTATSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)N1CCC[C@@H](C)C1 ZINC000422866650 394837885 /nfs/dbraw/zinc/83/78/85/394837885.db2.gz QPAJHGOHHDJBSQ-QKPAOTATSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000422875216 394843926 /nfs/dbraw/zinc/84/39/26/394843926.db2.gz OOCUXAKIASVBOW-DFEHZGFQSA-N 2 1 287.451 2.017 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+]2CCC[C@H]2C1 ZINC000336323199 394844316 /nfs/dbraw/zinc/84/43/16/394844316.db2.gz LUVHWVQKUHJEFM-JKSUJKDBSA-N 2 1 265.445 2.029 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000336323199 394844319 /nfs/dbraw/zinc/84/43/19/394844319.db2.gz LUVHWVQKUHJEFM-JKSUJKDBSA-N 2 1 265.445 2.029 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000336323199 394844322 /nfs/dbraw/zinc/84/43/22/394844322.db2.gz LUVHWVQKUHJEFM-JKSUJKDBSA-N 2 1 265.445 2.029 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN(C)c1ccccc1 ZINC000125881875 394845000 /nfs/dbraw/zinc/84/50/00/394845000.db2.gz KLZZXOHISBVXLY-ZBFHGGJFSA-N 2 1 261.413 2.053 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422879704 394846112 /nfs/dbraw/zinc/84/61/12/394846112.db2.gz KTLVQRAYDSJQBI-OWCLPIDISA-N 3 1 267.461 2.358 20 0 CEADMP c1ccc([C@H]2C[C@@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC000415012010 394848510 /nfs/dbraw/zinc/84/85/10/394848510.db2.gz RTSMHZQTHIHWOD-INDMIFKZSA-N 3 1 299.462 2.457 20 0 CEADMP COc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1SC ZINC000415013026 394849621 /nfs/dbraw/zinc/84/96/21/394849621.db2.gz ULLPGIHEAAZNJP-UWVGGRQHSA-N 2 1 254.399 2.242 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000422887805 394850981 /nfs/dbraw/zinc/85/09/81/394850981.db2.gz ZNVGPORJAYKLNZ-XKQJLSEDSA-N 2 1 288.439 2.126 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000422887805 394850984 /nfs/dbraw/zinc/85/09/84/394850984.db2.gz ZNVGPORJAYKLNZ-XKQJLSEDSA-N 2 1 288.439 2.126 20 0 CEADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000422895489 394853612 /nfs/dbraw/zinc/85/36/12/394853612.db2.gz WEOGJHSTTWBKMG-RRFJBIMHSA-N 2 1 263.360 2.231 20 0 CEADMP CC[C@H](C)[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128254545 394854096 /nfs/dbraw/zinc/85/40/96/394854096.db2.gz GULLMXQMQYFVJD-LSDHHAIUSA-N 2 1 255.450 2.038 20 0 CEADMP CCCOc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OCC ZINC000415035886 394857655 /nfs/dbraw/zinc/85/76/55/394857655.db2.gz LIAXURQHOXYADL-HALDLXJZSA-N 2 1 290.407 2.182 20 0 CEADMP COCc1cccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000415045369 394861938 /nfs/dbraw/zinc/86/19/38/394861938.db2.gz BPEQZLDUNXZKQT-AWEZNQCLSA-N 2 1 250.386 2.296 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423216320 394888092 /nfs/dbraw/zinc/88/80/92/394888092.db2.gz RQCXFASQIYVUDJ-NJAFHUGGSA-N 2 1 287.451 2.411 20 0 CEADMP CN1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423216320 394888096 /nfs/dbraw/zinc/88/80/96/394888096.db2.gz RQCXFASQIYVUDJ-NJAFHUGGSA-N 2 1 287.451 2.411 20 0 CEADMP CC[C@H](C[N@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000415105132 394891030 /nfs/dbraw/zinc/89/10/30/394891030.db2.gz HXTNMIZJWGWGAD-ZBFHGGJFSA-N 2 1 262.397 2.230 20 0 CEADMP C[N@@H+]1CC[C@@H](NCC(F)(F)C[NH3+])C[C@@H]1c1ccccc1 ZINC000423344865 394893673 /nfs/dbraw/zinc/89/36/73/394893673.db2.gz NDPXYIGDXPGDHD-ZIAGYGMSSA-N 2 1 283.366 2.006 20 0 CEADMP C[N@H+]1CC[C@@H](NCC(F)(F)C[NH3+])C[C@@H]1c1ccccc1 ZINC000423344865 394893675 /nfs/dbraw/zinc/89/36/75/394893675.db2.gz NDPXYIGDXPGDHD-ZIAGYGMSSA-N 2 1 283.366 2.006 20 0 CEADMP Cc1cccc(C)c1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415118659 394895784 /nfs/dbraw/zinc/89/57/84/394895784.db2.gz DUSVGYDOJSRTDK-MRXNPFEDSA-N 2 1 299.422 2.191 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000364398928 394898207 /nfs/dbraw/zinc/89/82/07/394898207.db2.gz GXXYTKWSJALJCG-OAHLLOKOSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000364398928 394898211 /nfs/dbraw/zinc/89/82/11/394898211.db2.gz GXXYTKWSJALJCG-OAHLLOKOSA-N 2 1 263.385 2.083 20 0 CEADMP COCCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415123180 394898318 /nfs/dbraw/zinc/89/83/18/394898318.db2.gz JDFLMZMJBPYQRY-ZBFHGGJFSA-N 2 1 292.423 2.129 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415130038 394900281 /nfs/dbraw/zinc/90/02/81/394900281.db2.gz PZHYOHLQZLHVSF-WFASDCNBSA-N 2 1 275.396 2.062 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423366373 394902533 /nfs/dbraw/zinc/90/25/33/394902533.db2.gz CNTMBQPZQJWSID-CZUORRHYSA-N 2 1 289.423 2.311 20 0 CEADMP C[C@H]1C[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000423367766 394903256 /nfs/dbraw/zinc/90/32/56/394903256.db2.gz DQFPMMCBBMQYCK-ATLSCFEFSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CN1Cc1ccccc1 ZINC000423367766 394903262 /nfs/dbraw/zinc/90/32/62/394903262.db2.gz DQFPMMCBBMQYCK-ATLSCFEFSA-N 2 1 287.451 2.380 20 0 CEADMP CSC[C@@H](O)C[N@H+]1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000364484087 394909025 /nfs/dbraw/zinc/90/90/25/394909025.db2.gz FNLGXGMXEXUVDM-KBPBESRZSA-N 2 1 297.468 2.367 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2[NH2+]CCCC2(C)C)[C@H]1C ZINC000423385900 394909112 /nfs/dbraw/zinc/90/91/12/394909112.db2.gz KZGBUTPYYVVAKO-ZQDZILKHSA-N 2 1 296.455 2.332 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000423386979 394909471 /nfs/dbraw/zinc/90/94/71/394909471.db2.gz SFVQEMLUJFVUFK-BLLLJJGKSA-N 2 1 287.407 2.015 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cn1 ZINC000423391848 394911770 /nfs/dbraw/zinc/91/17/70/394911770.db2.gz LENHZQMTLXECFV-SGMGOOAPSA-N 2 1 250.390 2.113 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)c(F)c1 ZINC000423408150 394916126 /nfs/dbraw/zinc/91/61/26/394916126.db2.gz XDCKEEFSRBEPPD-ZETOZRRWSA-N 2 1 266.360 2.483 20 0 CEADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000366941076 394954939 /nfs/dbraw/zinc/95/49/39/394954939.db2.gz ORDOSNZHUBGHQP-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@@H]2CCC[C@@H]21 ZINC000423430354 394920752 /nfs/dbraw/zinc/92/07/52/394920752.db2.gz UHFHDBJJGSMTGJ-WOYTXXSLSA-N 3 1 279.472 2.214 20 0 CEADMP CN1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@@H]2CCC[C@@H]21 ZINC000423430354 394920756 /nfs/dbraw/zinc/92/07/56/394920756.db2.gz UHFHDBJJGSMTGJ-WOYTXXSLSA-N 2 1 279.472 2.214 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000423441210 394921293 /nfs/dbraw/zinc/92/12/93/394921293.db2.gz BBBKRWFBHYUFMM-GXTWGEPZSA-N 2 1 258.369 2.260 20 0 CEADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])CC2 ZINC000423456133 394924810 /nfs/dbraw/zinc/92/48/10/394924810.db2.gz DFRYKAQHKJHOCF-OUJBWJOFSA-N 2 1 264.369 2.016 20 0 CEADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCN2C)cc1 ZINC000423481403 394930220 /nfs/dbraw/zinc/93/02/20/394930220.db2.gz QKIXCMAVPBSFKZ-ZBFHGGJFSA-N 2 1 291.439 2.028 20 0 CEADMP N[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423487371 394931981 /nfs/dbraw/zinc/93/19/81/394931981.db2.gz UGJKULLERSJYCB-MAZHCROVSA-N 2 1 259.397 2.253 20 0 CEADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423498732 394936524 /nfs/dbraw/zinc/93/65/24/394936524.db2.gz BXGSABKWQHTMJF-RDJZCZTQSA-N 2 1 287.451 2.174 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC000371334139 395027767 /nfs/dbraw/zinc/02/77/67/395027767.db2.gz XMIHLTCAARGLMZ-OAHLLOKOSA-N 2 1 267.461 2.133 20 0 CEADMP COCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339434311 394959869 /nfs/dbraw/zinc/95/98/69/394959869.db2.gz YZKWYUSGGUURAU-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP COCCCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339434311 394959874 /nfs/dbraw/zinc/95/98/74/394959874.db2.gz YZKWYUSGGUURAU-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP COCCCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339434311 394959877 /nfs/dbraw/zinc/95/98/77/394959877.db2.gz YZKWYUSGGUURAU-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP COC(=O)[C@@H](CC(C)C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000285797610 394964667 /nfs/dbraw/zinc/96/46/67/394964667.db2.gz YLHZOLAKUIAHGI-CQSZACIVSA-N 2 1 281.400 2.101 20 0 CEADMP COC(=O)[C@@H](CC(C)C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000285797610 394964670 /nfs/dbraw/zinc/96/46/70/394964670.db2.gz YLHZOLAKUIAHGI-CQSZACIVSA-N 2 1 281.400 2.101 20 0 CEADMP C(C[NH+]1CCCC1)C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000371197441 395026353 /nfs/dbraw/zinc/02/63/53/395026353.db2.gz IORPJSUSOKKHOD-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP CC[C@]1(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC000423757621 394977616 /nfs/dbraw/zinc/97/76/16/394977616.db2.gz IMZVOVILIYQPKN-QGZVFWFLSA-N 2 1 295.471 2.242 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000344037605 395048592 /nfs/dbraw/zinc/04/85/92/395048592.db2.gz XSDDVJGCTHCRRV-XHSDSOJGSA-N 2 1 276.424 2.160 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000158656767 395049884 /nfs/dbraw/zinc/04/98/84/395049884.db2.gz SLMXIJNZHVRWST-VVLHAWIVSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000158656767 395049888 /nfs/dbraw/zinc/04/98/88/395049888.db2.gz SLMXIJNZHVRWST-VVLHAWIVSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000158656767 395049891 /nfs/dbraw/zinc/04/98/91/395049891.db2.gz SLMXIJNZHVRWST-VVLHAWIVSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000158656767 395049895 /nfs/dbraw/zinc/04/98/95/395049895.db2.gz SLMXIJNZHVRWST-VVLHAWIVSA-N 3 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000158656767 395049899 /nfs/dbraw/zinc/04/98/99/395049899.db2.gz SLMXIJNZHVRWST-VVLHAWIVSA-N 3 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000158656767 395049902 /nfs/dbraw/zinc/04/99/02/395049902.db2.gz SLMXIJNZHVRWST-VVLHAWIVSA-N 3 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000158656767 395049906 /nfs/dbraw/zinc/04/99/06/395049906.db2.gz SLMXIJNZHVRWST-VVLHAWIVSA-N 3 1 281.488 2.284 20 0 CEADMP C1CC2(C1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)[C@H]1CCO[C@H]12 ZINC000373293534 395058602 /nfs/dbraw/zinc/05/86/02/395058602.db2.gz NVRBYADXCMKRCT-UYJHQMFVSA-N 2 1 276.424 2.160 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCC[C@H]2c2cccn2C)n1C ZINC000425330250 395058669 /nfs/dbraw/zinc/05/86/69/395058669.db2.gz XOCPCPMZEFRADQ-HNNXBMFYSA-N 2 1 287.411 2.162 20 0 CEADMP CCC(CC)[C@H](CN[C@@H]1C[N@@H+](CC)C[C@H]1C)[NH+](C)C ZINC000343275176 395036343 /nfs/dbraw/zinc/03/63/43/395036343.db2.gz SRDNWQUFBPCRCH-BMFZPTHFSA-N 2 1 269.477 2.283 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423968485 395038522 /nfs/dbraw/zinc/03/85/22/395038522.db2.gz UVIWFPBMNUVCBI-CQSZACIVSA-N 2 1 292.427 2.030 20 0 CEADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C(C)(C)C)n1 ZINC000158136234 395038820 /nfs/dbraw/zinc/03/88/20/395038820.db2.gz MWWHCBNOWPUVJI-HUUCEWRRSA-N 2 1 290.455 2.434 20 0 CEADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C(C)(C)C)n1 ZINC000158136234 395038823 /nfs/dbraw/zinc/03/88/23/395038823.db2.gz MWWHCBNOWPUVJI-HUUCEWRRSA-N 2 1 290.455 2.434 20 0 CEADMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+]1CCCCC1 ZINC000427495239 395117014 /nfs/dbraw/zinc/11/70/14/395117014.db2.gz NHLOSXGVWHNJQY-HZPDHXFCSA-N 2 1 297.487 2.342 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494675273 395133381 /nfs/dbraw/zinc/13/33/81/395133381.db2.gz UEHJDSSTHLBQOP-HOTGVXAUSA-N 2 1 295.471 2.289 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCO1 ZINC000346835567 395109469 /nfs/dbraw/zinc/10/94/69/395109469.db2.gz UAAIRCPBUGJKIY-DGADGQDISA-N 2 1 266.429 2.251 20 0 CEADMP C[C@@H]([NH2+]CC1(O)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347918889 395131836 /nfs/dbraw/zinc/13/18/36/395131836.db2.gz BVCBQQINUJNQIA-ZIAGYGMSSA-N 2 1 266.429 2.144 20 0 CEADMP CC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)[C@H]1CCCO1 ZINC000348281197 395141819 /nfs/dbraw/zinc/14/18/19/395141819.db2.gz KJHJULYYXICKNL-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP C[N@@H+](C[C@@H]1CC=CCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377635033 395141418 /nfs/dbraw/zinc/14/14/18/395141418.db2.gz ZLPYRYUFYGXKQH-SJLPKXTDSA-N 2 1 291.483 2.443 20 0 CEADMP Cc1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)n(C)n1 ZINC000417862445 395151049 /nfs/dbraw/zinc/15/10/49/395151049.db2.gz CIEJZHFTJJXJPF-ZIAGYGMSSA-N 2 1 278.444 2.186 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H](OC)c2ccccc2)CC[C@H]1[NH3+] ZINC000379242465 395162585 /nfs/dbraw/zinc/16/25/85/395162585.db2.gz XMGVCIGLDZNTDU-BMFZPTHFSA-N 2 1 262.397 2.433 20 0 CEADMP CCOC(=O)CC(C)(C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000519832391 395226617 /nfs/dbraw/zinc/22/66/17/395226617.db2.gz RKLCZPXBHLVTTK-UHFFFAOYSA-N 2 1 281.400 2.016 20 0 CEADMP CCOC(=O)CC(C)(C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000519832391 395226623 /nfs/dbraw/zinc/22/66/23/395226623.db2.gz RKLCZPXBHLVTTK-UHFFFAOYSA-N 2 1 281.400 2.016 20 0 CEADMP CC[C@@H](C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)OC ZINC000419197141 395253256 /nfs/dbraw/zinc/25/32/56/395253256.db2.gz XPVFDPKLFWPIDJ-UXLLHSPISA-N 2 1 298.471 2.233 20 0 CEADMP C[C@H]([NH3+])[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398225760 395231268 /nfs/dbraw/zinc/23/12/68/395231268.db2.gz XUFIWFJEBHTLII-AESZEHBQSA-N 2 1 275.440 2.222 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000398237603 395231316 /nfs/dbraw/zinc/23/13/16/395231316.db2.gz ZLXWJMJEOGFSQM-NJAFHUGGSA-N 2 1 287.451 2.239 20 0 CEADMP Cc1cc(NCC2([NH+]3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000433793543 395248386 /nfs/dbraw/zinc/24/83/86/395248386.db2.gz SWZMBBQOLAMUPT-UHFFFAOYSA-N 2 1 297.402 2.242 20 0 CEADMP CO[C@@H](C[NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000400273992 395251856 /nfs/dbraw/zinc/25/18/56/395251856.db2.gz YDEDDWPBVVZEDS-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000397288440 395221653 /nfs/dbraw/zinc/22/16/53/395221653.db2.gz VSGYVNANXNHEDZ-IOASZLSFSA-N 2 1 290.407 2.278 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)C[C@H]2CCCCO2)cc1 ZINC000420323951 395325939 /nfs/dbraw/zinc/32/59/39/395325939.db2.gz USJBECPOZWVDGV-NVXWUHKLSA-N 2 1 292.423 2.238 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420295029 395300397 /nfs/dbraw/zinc/30/03/97/395300397.db2.gz BVAQMQMILKJPHL-HRCADAONSA-N 2 1 295.471 2.003 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000420323955 395326291 /nfs/dbraw/zinc/32/62/91/395326291.db2.gz USJBECPOZWVDGV-WBVHZDCISA-N 2 1 292.423 2.238 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420295028 395301201 /nfs/dbraw/zinc/30/12/01/395301201.db2.gz BVAQMQMILKJPHL-ARFHVFGLSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1ccc(OCC[N@H+](C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420296405 395302183 /nfs/dbraw/zinc/30/21/83/395302183.db2.gz BVGWALCCRWYODT-HNNXBMFYSA-N 2 1 262.397 2.305 20 0 CEADMP Cc1ccc([C@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)cc1C ZINC000420302249 395307697 /nfs/dbraw/zinc/30/76/97/395307697.db2.gz JJEWJVDUNDYZPC-GOSISDBHSA-N 2 1 287.451 2.346 20 0 CEADMP CC(C)[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCS1 ZINC000420305548 395309205 /nfs/dbraw/zinc/30/92/05/395309205.db2.gz POIUHRZUEAQULZ-UONOGXRCSA-N 2 1 256.459 2.450 20 0 CEADMP CC[N@H+](Cc1ccc(C(=O)OC)s1)[C@H]1CCC[NH2+]CC1 ZINC000420304191 395309396 /nfs/dbraw/zinc/30/93/96/395309396.db2.gz DOAJSUBIQFPRCF-LBPRGKRZSA-N 2 1 296.436 2.499 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)OC)s1)[C@H]1CCC[NH2+]CC1 ZINC000420304191 395309399 /nfs/dbraw/zinc/30/93/99/395309399.db2.gz DOAJSUBIQFPRCF-LBPRGKRZSA-N 2 1 296.436 2.499 20 0 CEADMP CC[C@@H]1CC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420306005 395310664 /nfs/dbraw/zinc/31/06/64/395310664.db2.gz QFTYVZNKAFHIDU-HIFRSBDPSA-N 2 1 262.397 2.469 20 0 CEADMP CC[N@@H+](CC[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000420306058 395310745 /nfs/dbraw/zinc/31/07/45/395310745.db2.gz HGSXCDBHLJOKIN-CABCVRRESA-N 2 1 254.418 2.410 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420306876 395310940 /nfs/dbraw/zinc/31/09/40/395310940.db2.gz LGJCASNCFOBJKF-ZFWWWQNUSA-N 2 1 262.397 2.297 20 0 CEADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC[C@@H]1c1ccccc1 ZINC000420312778 395316246 /nfs/dbraw/zinc/31/62/46/395316246.db2.gz XGRWEHXOTNJEQM-AEFFLSMTSA-N 2 1 287.451 2.017 20 0 CEADMP CO[C@]1(C)C[C@H]([N@@H+](C)CC[C@H]2CC[NH2+]C2)C1(C)C ZINC000420313141 395316991 /nfs/dbraw/zinc/31/69/91/395316991.db2.gz XOOZXEKRILDMPM-VNHYZAJKSA-N 2 1 254.418 2.121 20 0 CEADMP c1n[nH]cc1[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420314284 395317845 /nfs/dbraw/zinc/31/78/45/395317845.db2.gz JVJRVSZKPNTRIS-ZFWWWQNUSA-N 2 1 262.401 2.326 20 0 CEADMP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000434688684 395323386 /nfs/dbraw/zinc/32/33/86/395323386.db2.gz ORUAFOOENJHQKP-DZKIICNBSA-N 2 1 289.423 2.066 20 0 CEADMP C[C@@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)C[N@H+]1C1CC1 ZINC000352748179 395268741 /nfs/dbraw/zinc/26/87/41/395268741.db2.gz JCIDKAZXNSQXIL-UKRRQHHQSA-N 2 1 277.456 2.218 20 0 CEADMP CN1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000420320373 395324467 /nfs/dbraw/zinc/32/44/67/395324467.db2.gz QBDGPACCMINNCS-HNNXBMFYSA-N 2 1 273.424 2.328 20 0 CEADMP C[C@H]1CCCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420369875 395355528 /nfs/dbraw/zinc/35/55/28/395355528.db2.gz JDOXPEVFQZDCLN-XIRDDKMYSA-N 2 1 276.424 2.039 20 0 CEADMP CCn1ccnc1[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420374116 395359977 /nfs/dbraw/zinc/35/99/77/395359977.db2.gz NGNDIKHXTQCFCR-HUUCEWRRSA-N 2 1 276.428 2.430 20 0 CEADMP C[N@H+](Cc1cnn(C(C)(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435445767 395367237 /nfs/dbraw/zinc/36/72/37/395367237.db2.gz HJTLSMHJCRAUEI-CQSZACIVSA-N 2 1 264.417 2.212 20 0 CEADMP C[N@@H+](Cc1cnn(C(C)(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435445767 395367245 /nfs/dbraw/zinc/36/72/45/395367245.db2.gz HJTLSMHJCRAUEI-CQSZACIVSA-N 2 1 264.417 2.212 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355223214 395373745 /nfs/dbraw/zinc/37/37/45/395373745.db2.gz PYAJLKCSZZARKB-KBAYOESNSA-N 2 1 287.451 2.048 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355223214 395373749 /nfs/dbraw/zinc/37/37/49/395373749.db2.gz PYAJLKCSZZARKB-KBAYOESNSA-N 2 1 287.451 2.048 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355223214 395373751 /nfs/dbraw/zinc/37/37/51/395373751.db2.gz PYAJLKCSZZARKB-KBAYOESNSA-N 2 1 287.451 2.048 20 0 CEADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355223214 395373754 /nfs/dbraw/zinc/37/37/54/395373754.db2.gz PYAJLKCSZZARKB-KBAYOESNSA-N 2 1 287.451 2.048 20 0 CEADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355223214 395373756 /nfs/dbraw/zinc/37/37/56/395373756.db2.gz PYAJLKCSZZARKB-KBAYOESNSA-N 2 1 287.451 2.048 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000420419329 395375767 /nfs/dbraw/zinc/37/57/67/395375767.db2.gz XQCLFPNYIBDIDH-STQMWFEESA-N 2 1 298.390 2.332 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435616646 395378949 /nfs/dbraw/zinc/37/89/49/395378949.db2.gz TXCRRFWOJLRIQK-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435616646 395378950 /nfs/dbraw/zinc/37/89/50/395378950.db2.gz TXCRRFWOJLRIQK-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)[C@@H]1CCC[NH2+]CC1 ZINC000435628113 395380174 /nfs/dbraw/zinc/38/01/74/395380174.db2.gz PPYUEIZMMOWOEO-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)[C@@H]1CCC[NH2+]CC1 ZINC000435628113 395380177 /nfs/dbraw/zinc/38/01/77/395380177.db2.gz PPYUEIZMMOWOEO-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]CC1 ZINC000435627544 395380188 /nfs/dbraw/zinc/38/01/88/395380188.db2.gz NZLXCGAVKPOVER-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]CC1 ZINC000435627544 395380192 /nfs/dbraw/zinc/38/01/92/395380192.db2.gz NZLXCGAVKPOVER-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435628923 395380439 /nfs/dbraw/zinc/38/04/39/395380439.db2.gz WIRJVJJWSUKRFI-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435628923 395380442 /nfs/dbraw/zinc/38/04/42/395380442.db2.gz WIRJVJJWSUKRFI-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442782819 395394980 /nfs/dbraw/zinc/39/49/80/395394980.db2.gz SDBGDSHZJHYIQX-AAEUAGOBSA-N 2 1 293.386 2.132 20 0 CEADMP Cc1cccc(NC(=O)C[N@@H+](C)CC[C@H]2CC[NH2+]C2)c1C ZINC000420326506 395329428 /nfs/dbraw/zinc/32/94/28/395329428.db2.gz XNTVJVKYLPKEPH-OAHLLOKOSA-N 2 1 289.423 2.173 20 0 CEADMP CC(C)CCc1noc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000420330914 395331313 /nfs/dbraw/zinc/33/13/13/395331313.db2.gz ILMJZXYVWORWJF-OKILXGFUSA-N 2 1 292.427 2.090 20 0 CEADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420355069 395342061 /nfs/dbraw/zinc/34/20/61/395342061.db2.gz PPWZJKAJBVRNGB-WFASDCNBSA-N 2 1 264.413 2.297 20 0 CEADMP COc1cccc2c(N3CC[N@@H+](C)C[C@@H]3C)ccnc12 ZINC000440664238 395342240 /nfs/dbraw/zinc/34/22/40/395342240.db2.gz XPWLKKKFKDANOU-LBPRGKRZSA-N 2 1 271.364 2.384 20 0 CEADMP C[N@@H+](C[C@H](O)C1CCCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000354844383 395345944 /nfs/dbraw/zinc/34/59/44/395345944.db2.gz CGQUOXRZOBERNS-ZBFHGGJFSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+](C[C@H](O)C1CCCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000354844383 395345947 /nfs/dbraw/zinc/34/59/47/395345947.db2.gz CGQUOXRZOBERNS-ZBFHGGJFSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+](C[C@H](O)C1CCCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000354844383 395345953 /nfs/dbraw/zinc/34/59/53/395345953.db2.gz CGQUOXRZOBERNS-ZBFHGGJFSA-N 2 1 268.445 2.201 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420359559 395346520 /nfs/dbraw/zinc/34/65/20/395346520.db2.gz FWQDURKLMSHHTG-MRXNPFEDSA-N 2 1 282.428 2.185 20 0 CEADMP COc1ccc(OCCC[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420362846 395349372 /nfs/dbraw/zinc/34/93/72/395349372.db2.gz IZRVCUNFYQSHPJ-GRDNDAEWSA-N 2 1 292.423 2.440 20 0 CEADMP CN(CC1CCCCC1)C(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420364402 395351956 /nfs/dbraw/zinc/35/19/56/395351956.db2.gz OWELEEZHFBMGST-OAHLLOKOSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[C@]1(CO)CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000444768335 395453752 /nfs/dbraw/zinc/45/37/52/395453752.db2.gz DAGLAVZCZXUTJR-HUUCEWRRSA-N 2 1 254.418 2.098 20 0 CEADMP CCC[C@]1(CO)CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000444768335 395453754 /nfs/dbraw/zinc/45/37/54/395453754.db2.gz DAGLAVZCZXUTJR-HUUCEWRRSA-N 2 1 254.418 2.098 20 0 CEADMP CCC[C@]1(CO)CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000444768335 395453755 /nfs/dbraw/zinc/45/37/55/395453755.db2.gz DAGLAVZCZXUTJR-HUUCEWRRSA-N 2 1 254.418 2.098 20 0 CEADMP C[C@H](C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444091420 395414048 /nfs/dbraw/zinc/41/40/48/395414048.db2.gz XBWABRXVNDWHBP-YIDVYQOGSA-N 2 1 295.471 2.189 20 0 CEADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444091420 395414051 /nfs/dbraw/zinc/41/40/51/395414051.db2.gz XBWABRXVNDWHBP-YIDVYQOGSA-N 2 1 295.471 2.189 20 0 CEADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444091420 395414053 /nfs/dbraw/zinc/41/40/53/395414053.db2.gz XBWABRXVNDWHBP-YIDVYQOGSA-N 2 1 295.471 2.189 20 0 CEADMP C=Cn1cc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000194004077 395421526 /nfs/dbraw/zinc/42/15/26/395421526.db2.gz YPTVTBFUWSBHGK-HNNXBMFYSA-N 2 1 262.401 2.290 20 0 CEADMP COCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000566412529 395519410 /nfs/dbraw/zinc/51/94/10/395519410.db2.gz WGIAGXRKXCKPFC-HIFRSBDPSA-N 2 1 278.396 2.023 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCCC[NH+]1CCC1 ZINC000566475449 395528797 /nfs/dbraw/zinc/52/87/97/395528797.db2.gz ZSBYJUCSXGKMNE-SJLPKXTDSA-N 2 1 287.451 2.192 20 0 CEADMP [NH3+][C@H]1CCC[C@H](NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000566483791 395530058 /nfs/dbraw/zinc/53/00/58/395530058.db2.gz YCXLJIWFEIAAJB-ROUUACIJSA-N 2 1 287.451 2.294 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]CCCN2CCc3ccccc3C2)C1 ZINC000566483791 395530059 /nfs/dbraw/zinc/53/00/59/395530059.db2.gz YCXLJIWFEIAAJB-ROUUACIJSA-N 2 1 287.451 2.294 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000567870511 395537696 /nfs/dbraw/zinc/53/76/96/395537696.db2.gz FRNOKFDALGKWET-GHMZBOCLSA-N 2 1 276.409 2.421 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2cccnc2)C1 ZINC000567896079 395540233 /nfs/dbraw/zinc/54/02/33/395540233.db2.gz MMPJJWKGCWMJEC-HOTGVXAUSA-N 2 1 259.397 2.355 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000567896079 395540236 /nfs/dbraw/zinc/54/02/36/395540236.db2.gz MMPJJWKGCWMJEC-HOTGVXAUSA-N 2 1 259.397 2.355 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000567896079 395540238 /nfs/dbraw/zinc/54/02/38/395540238.db2.gz MMPJJWKGCWMJEC-HOTGVXAUSA-N 2 1 259.397 2.355 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCCC(C)(C)C2)[C@H](C)C1 ZINC000446849599 395500705 /nfs/dbraw/zinc/50/07/05/395500705.db2.gz ZSLQFUFENVJIAN-CVEARBPZSA-N 2 1 281.488 2.428 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@@H+]2CCCC(C)(C)C2)[C@H](C)C1 ZINC000446849599 395500708 /nfs/dbraw/zinc/50/07/08/395500708.db2.gz ZSLQFUFENVJIAN-CVEARBPZSA-N 2 1 281.488 2.428 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@H+]2CCCC(C)(C)C2)[C@H](C)C1 ZINC000446849599 395500710 /nfs/dbraw/zinc/50/07/10/395500710.db2.gz ZSLQFUFENVJIAN-CVEARBPZSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CCN2CCCC(C)(C)C2)[C@H](C)C1 ZINC000446849599 395500713 /nfs/dbraw/zinc/50/07/13/395500713.db2.gz ZSLQFUFENVJIAN-CVEARBPZSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCN2CCCC(C)(C)C2)[C@H](C)C1 ZINC000446849599 395500716 /nfs/dbraw/zinc/50/07/16/395500716.db2.gz ZSLQFUFENVJIAN-CVEARBPZSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@H]([NH2+]CCCC(=O)N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000572971324 395596738 /nfs/dbraw/zinc/59/67/38/395596738.db2.gz ASQIWIUJHAFPCJ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1nccn1CC[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451379167 395612716 /nfs/dbraw/zinc/61/27/16/395612716.db2.gz ZDYLBKONQCNBFF-UGUYLWEFSA-N 2 1 257.381 2.336 20 0 CEADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCC[NH+]1CCC1 ZINC000568236263 395552575 /nfs/dbraw/zinc/55/25/75/395552575.db2.gz GAWVGNOZTWMCNK-CQSZACIVSA-N 2 1 275.396 2.089 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000568447339 395560252 /nfs/dbraw/zinc/56/02/52/395560252.db2.gz OSPKVHYSDMQIER-JTQLQIEISA-N 2 1 290.333 2.248 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000568447339 395560255 /nfs/dbraw/zinc/56/02/55/395560255.db2.gz OSPKVHYSDMQIER-JTQLQIEISA-N 2 1 290.333 2.248 20 0 CEADMP O[C@@H]1CC[C@@H]2C[N@H+](CCC[NH+]3CCCCC3)CC[C@H]2C1 ZINC000451705788 395624472 /nfs/dbraw/zinc/62/44/72/395624472.db2.gz ZIIYAEAMLYAWLP-GVDBMIGSSA-N 2 1 280.456 2.345 20 0 CEADMP O[C@@H]1CC[C@@H]2C[N@@H+](CCC[NH+]3CCCCC3)CC[C@H]2C1 ZINC000451705788 395624475 /nfs/dbraw/zinc/62/44/75/395624475.db2.gz ZIIYAEAMLYAWLP-GVDBMIGSSA-N 2 1 280.456 2.345 20 0 CEADMP CC(C)CC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000574070895 395625992 /nfs/dbraw/zinc/62/59/92/395625992.db2.gz ANWFTQBLMQPWDL-HZPDHXFCSA-N 2 1 270.461 2.351 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC000494031585 395678719 /nfs/dbraw/zinc/67/87/19/395678719.db2.gz FBQKFGPGFVTVKK-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC000494031585 395678720 /nfs/dbraw/zinc/67/87/20/395678720.db2.gz FBQKFGPGFVTVKK-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC000494031585 395678721 /nfs/dbraw/zinc/67/87/21/395678721.db2.gz FBQKFGPGFVTVKK-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC000494031585 395678722 /nfs/dbraw/zinc/67/87/22/395678722.db2.gz FBQKFGPGFVTVKK-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP Cc1cccc2nc(CC[NH2+]C3CC[NH+](C4CC4)CC3)cn21 ZINC000647363856 395709463 /nfs/dbraw/zinc/70/94/63/395709463.db2.gz LVLMNKVOPQZMCN-UHFFFAOYSA-N 2 1 298.434 2.402 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cn(C(C)C)nc2C)CC[C@H]1[NH3+] ZINC000647497564 395721421 /nfs/dbraw/zinc/72/14/21/395721421.db2.gz MFUGXDDLUXHMOX-UKRRQHHQSA-N 2 1 264.417 2.332 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)CC[C@H]1[NH3+] ZINC000647497564 395721423 /nfs/dbraw/zinc/72/14/23/395721423.db2.gz MFUGXDDLUXHMOX-UKRRQHHQSA-N 2 1 264.417 2.332 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccc(N(C)C(C)C)nc2)CC[C@H]1[NH3+] ZINC000647497641 395721570 /nfs/dbraw/zinc/72/15/70/395721570.db2.gz OGWNBUNGLJFSFD-JKSUJKDBSA-N 2 1 290.455 2.485 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(N(C)C(C)C)nc2)CC[C@H]1[NH3+] ZINC000647497641 395721572 /nfs/dbraw/zinc/72/15/72/395721572.db2.gz OGWNBUNGLJFSFD-JKSUJKDBSA-N 2 1 290.455 2.485 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc(OCCOC)c2)CC[C@H]1[NH3+] ZINC000647498095 395721799 /nfs/dbraw/zinc/72/17/99/395721799.db2.gz ADDMADKJHJTEBC-DOTOQJQBSA-N 2 1 292.423 2.271 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccnc2)CC[C@H]1[NH3+] ZINC000647498397 395722422 /nfs/dbraw/zinc/72/24/22/395722422.db2.gz GLOQGGMPQMNXPK-SWLSCSKDSA-N 2 1 285.395 2.031 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc2n(n1)CCCC2 ZINC000647295252 395699305 /nfs/dbraw/zinc/69/93/05/395699305.db2.gz DYDTVKTVGNZQPN-ZDUSSCGKSA-N 2 1 274.412 2.132 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2n(n1)CCCC2 ZINC000647295252 395699307 /nfs/dbraw/zinc/69/93/07/395699307.db2.gz DYDTVKTVGNZQPN-ZDUSSCGKSA-N 2 1 274.412 2.132 20 0 CEADMP Cc1ccccc1OCCC[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549150 395732798 /nfs/dbraw/zinc/73/27/98/395732798.db2.gz KDPXIQANSLIUHT-ZFWWWQNUSA-N 2 1 262.397 2.352 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[nH]c2c1 ZINC000647550111 395733324 /nfs/dbraw/zinc/73/33/24/395733324.db2.gz ADHNSLXPHWVPMV-HZSPNIEDSA-N 2 1 284.407 2.349 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@@H]3CC[C@H](C[NH3+])C3)c2c1C ZINC000647709866 395747242 /nfs/dbraw/zinc/74/72/42/395747242.db2.gz WJTTXHPQKQVFMQ-WDEREUQCSA-N 2 1 259.357 2.114 20 0 CEADMP Cc1cccc2nc(CC[NH2+][C@@H](C)c3c[nH+]ccc3N)cn21 ZINC000647804446 395758278 /nfs/dbraw/zinc/75/82/78/395758278.db2.gz QSYLNKLHJFWGSU-ZDUSSCGKSA-N 2 1 295.390 2.344 20 0 CEADMP c1cc([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc2c1NCC2 ZINC000647800069 395757518 /nfs/dbraw/zinc/75/75/18/395757518.db2.gz ZENYAUXGTONYPX-HZSPNIEDSA-N 2 1 257.381 2.455 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000647829501 395760840 /nfs/dbraw/zinc/76/08/40/395760840.db2.gz QUXSQEYTLJOZPA-MGPQQGTHSA-N 2 1 292.427 2.030 20 0 CEADMP COc1ccc(OC)c(C[N@H+](C[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000647876429 395767144 /nfs/dbraw/zinc/76/71/44/395767144.db2.gz ZEVXVHRBGRNRMJ-ZDUSSCGKSA-N 2 1 290.407 2.278 20 0 CEADMP COc1ccc(OC)c(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000647876429 395767147 /nfs/dbraw/zinc/76/71/47/395767147.db2.gz ZEVXVHRBGRNRMJ-ZDUSSCGKSA-N 2 1 290.407 2.278 20 0 CEADMP C[N@@H+](CCCOc1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC000647880322 395767743 /nfs/dbraw/zinc/76/77/43/395767743.db2.gz HJTRHUFFPMDNLQ-ZDUSSCGKSA-N 2 1 266.360 2.136 20 0 CEADMP c1cc([C@@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n[nH]1 ZINC000647881006 395767843 /nfs/dbraw/zinc/76/78/43/395767843.db2.gz RSYGNQOLOYCEKP-OAHLLOKOSA-N 2 1 276.428 2.369 20 0 CEADMP c1cc([C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)[nH]n1 ZINC000647881006 395767844 /nfs/dbraw/zinc/76/78/44/395767844.db2.gz RSYGNQOLOYCEKP-OAHLLOKOSA-N 2 1 276.428 2.369 20 0 CEADMP c1cc([C@@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)[nH]n1 ZINC000647881006 395767846 /nfs/dbraw/zinc/76/78/46/395767846.db2.gz RSYGNQOLOYCEKP-OAHLLOKOSA-N 2 1 276.428 2.369 20 0 CEADMP CC(C)OCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903282 395770627 /nfs/dbraw/zinc/77/06/27/395770627.db2.gz IPNLAGLGDZQIHN-GJZGRUSLSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOc2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000647935027 395778617 /nfs/dbraw/zinc/77/86/17/395778617.db2.gz XGYZRNLQCGXGOH-CZUORRHYSA-N 2 1 278.396 2.133 20 0 CEADMP Cc1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cs1 ZINC000648072105 395825807 /nfs/dbraw/zinc/82/58/07/395825807.db2.gz LMGIEVVMQCECFA-UHFFFAOYSA-N 2 1 280.437 2.353 20 0 CEADMP Cc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cs1 ZINC000648072105 395825808 /nfs/dbraw/zinc/82/58/08/395825808.db2.gz LMGIEVVMQCECFA-UHFFFAOYSA-N 2 1 280.437 2.353 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC(C)(C)CCC[NH3+] ZINC000648141836 395845068 /nfs/dbraw/zinc/84/50/68/395845068.db2.gz BHQJIXHIZAUETM-GFCCVEGCSA-N 2 1 280.416 2.030 20 0 CEADMP COCC[N@@H+](CCCC1CC[NH2+]CC1)Cc1cccnc1 ZINC000647988509 395796517 /nfs/dbraw/zinc/79/65/17/395796517.db2.gz UKKHWVCRPIUQGZ-UHFFFAOYSA-N 2 1 291.439 2.310 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000649414068 396148745 /nfs/dbraw/zinc/14/87/45/396148745.db2.gz DMJNTYUEFDZTFE-INIZCTEOSA-N 2 1 276.428 2.255 20 0 CEADMP Cc1cnc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000649418281 396149393 /nfs/dbraw/zinc/14/93/93/396149393.db2.gz VTEBZEDFHRVBSV-KBPBESRZSA-N 2 1 263.385 2.195 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000649566108 396191741 /nfs/dbraw/zinc/19/17/41/396191741.db2.gz CGKOCKOATQAYPL-OIISXLGYSA-N 2 1 277.456 2.029 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000649566108 396191742 /nfs/dbraw/zinc/19/17/42/396191742.db2.gz CGKOCKOATQAYPL-OIISXLGYSA-N 2 1 277.456 2.029 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000649566108 396191744 /nfs/dbraw/zinc/19/17/44/396191744.db2.gz CGKOCKOATQAYPL-OIISXLGYSA-N 2 1 277.456 2.029 20 0 CEADMP CC(C)O[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000649702384 396232993 /nfs/dbraw/zinc/23/29/93/396232993.db2.gz COZMPBIRUMRSRU-CABCVRRESA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)O[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000649702384 396232997 /nfs/dbraw/zinc/23/29/97/396232997.db2.gz COZMPBIRUMRSRU-CABCVRRESA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)O[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000649702384 396232999 /nfs/dbraw/zinc/23/29/99/396232999.db2.gz COZMPBIRUMRSRU-CABCVRRESA-N 2 1 254.418 2.360 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000649703317 396233488 /nfs/dbraw/zinc/23/34/88/396233488.db2.gz ZZZFLXXSTRLRHK-HNNXBMFYSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000649703317 396233490 /nfs/dbraw/zinc/23/34/90/396233490.db2.gz ZZZFLXXSTRLRHK-HNNXBMFYSA-N 2 1 265.401 2.471 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2CC(C)C)C1 ZINC000647177129 396430445 /nfs/dbraw/zinc/43/04/45/396430445.db2.gz MJKQBQUOZMZMDW-OAHLLOKOSA-N 2 1 278.444 2.361 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2CC(C)C)C1 ZINC000647177129 396430448 /nfs/dbraw/zinc/43/04/48/396430448.db2.gz MJKQBQUOZMZMDW-OAHLLOKOSA-N 2 1 278.444 2.361 20 0 CEADMP Cc1cccc2nc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cn21 ZINC000647263164 396453624 /nfs/dbraw/zinc/45/36/24/396453624.db2.gz RFMSMGJCKLRWFX-RDJZCZTQSA-N 2 1 298.434 2.402 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC[NH+](C(C)C)C(C)C)[C@H](C)C1 ZINC000156240736 289192200 /nfs/dbraw/zinc/19/22/00/289192200.db2.gz LZUUUHDUUWLYAI-HZPDHXFCSA-N 2 1 269.477 2.425 20 0 CEADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000394542425 400549999 /nfs/dbraw/zinc/54/99/99/400549999.db2.gz UOTTZQHRXAPTQN-KBXIAJHMSA-N 2 1 254.418 2.251 20 0 CEADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000394542425 400550001 /nfs/dbraw/zinc/55/00/01/400550001.db2.gz UOTTZQHRXAPTQN-KBXIAJHMSA-N 2 1 254.418 2.251 20 0 CEADMP Cc1ncsc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650722982 401011033 /nfs/dbraw/zinc/01/10/33/401011033.db2.gz FRHFQSIEHICEBA-BFHYXJOUSA-N 2 1 295.452 2.312 20 0 CEADMP CC[C@@H](NCCC[N@@H+](C)CC(C)C)[C@@H]1CCC[NH2+]1 ZINC000650740915 401017000 /nfs/dbraw/zinc/01/70/00/401017000.db2.gz UHJKADQWRZXERY-CABCVRRESA-N 2 1 255.450 2.085 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000650756108 401032519 /nfs/dbraw/zinc/03/25/19/401032519.db2.gz USHOIGFZQWKLNM-JKSUJKDBSA-N 3 1 261.413 2.156 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651829724 401401401 /nfs/dbraw/zinc/40/14/01/401401401.db2.gz KJQKFFKMYYOONW-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP C1CC1[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCOCC1 ZINC000651930541 401416682 /nfs/dbraw/zinc/41/66/82/401416682.db2.gz WJYKIBNMFVSJRT-KRWDZBQOSA-N 2 1 278.440 2.408 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC[C@H]3CCCCO3)C2)C1 ZINC000652350391 401491671 /nfs/dbraw/zinc/49/16/71/401491671.db2.gz WVYFLPVYLZFLPI-VQHPVUNQSA-N 2 1 296.455 2.164 20 0 CEADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C)n1 ZINC000652352617 401492078 /nfs/dbraw/zinc/49/20/78/401492078.db2.gz FXVXVQDMSZHMDO-HOTGVXAUSA-N 2 1 259.397 2.259 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000652352625 401492178 /nfs/dbraw/zinc/49/21/78/401492178.db2.gz GEOZQBYWYYWPLK-UHFFFAOYSA-N 2 1 286.375 2.280 20 0 CEADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355166 401493055 /nfs/dbraw/zinc/49/30/55/401493055.db2.gz QHAYXQCTOUWGMX-OWCLPIDISA-N 2 1 297.487 2.329 20 0 CEADMP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)oc1C ZINC000652363009 401495164 /nfs/dbraw/zinc/49/51/64/401495164.db2.gz VKGDOWGXOYGKPV-KFWWJZLASA-N 2 1 293.411 2.152 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000360148803 155229087 /nfs/dbraw/zinc/22/90/87/155229087.db2.gz LMYBJDSIYXULIY-MAUKXSAKSA-N 2 1 298.434 2.361 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc2c(s1)CCC2 ZINC000360239109 155249554 /nfs/dbraw/zinc/24/95/54/155249554.db2.gz AOEFLQBQIDAKGN-JSGCOSHPSA-N 2 1 294.464 2.344 20 0 CEADMP CCOC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000189362469 286169979 /nfs/dbraw/zinc/16/99/79/286169979.db2.gz HYQGVPILJDARDD-ZNMIVQPWSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)s1 ZINC000312109651 289280340 /nfs/dbraw/zinc/28/03/40/289280340.db2.gz LTXMWWTWCSTZHP-BXUZGUMPSA-N 2 1 282.453 2.032 20 0 CEADMP Cc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)s1 ZINC000312109651 289280344 /nfs/dbraw/zinc/28/03/44/289280344.db2.gz LTXMWWTWCSTZHP-BXUZGUMPSA-N 2 1 282.453 2.032 20 0 CEADMP C[N@H+]1CCC[C@H](CNC(N)=[NH2+])[C@H]1c1cccc(Cl)c1 ZINC000360616158 155337918 /nfs/dbraw/zinc/33/79/18/155337918.db2.gz ASHIAASCEHRWSL-DGCLKSJQSA-N 2 1 280.803 2.206 20 0 CEADMP CCN(C)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000191323591 153170008 /nfs/dbraw/zinc/17/00/08/153170008.db2.gz DSFNSACPOFUKIY-UHFFFAOYSA-N 2 1 290.455 2.311 20 0 CEADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000192921143 153222057 /nfs/dbraw/zinc/22/20/57/153222057.db2.gz BZWALDTUWDXVOX-GSPSYOTPSA-N 2 1 254.418 2.262 20 0 CEADMP COCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000193030132 153224576 /nfs/dbraw/zinc/22/45/76/153224576.db2.gz JQRAJFQVJUSUJU-AGUYFDCRSA-N 2 1 252.402 2.018 20 0 CEADMP COc1ccc(Br)c(C[NH2+][C@H](C)CC[NH3+])c1 ZINC000220492870 153305428 /nfs/dbraw/zinc/30/54/28/153305428.db2.gz OUKKFUIAHNFWKG-SECBINFHSA-N 2 1 287.201 2.285 20 0 CEADMP CCCn1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cn1 ZINC000220326164 153308214 /nfs/dbraw/zinc/30/82/14/153308214.db2.gz YVTYUBGTWQTTNP-CQSZACIVSA-N 2 1 252.406 2.098 20 0 CEADMP CCCn1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cn1 ZINC000220326164 153308217 /nfs/dbraw/zinc/30/82/17/153308217.db2.gz YVTYUBGTWQTTNP-CQSZACIVSA-N 2 1 252.406 2.098 20 0 CEADMP CCCN(CC[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000263004012 154006210 /nfs/dbraw/zinc/00/62/10/154006210.db2.gz PABJTTJJWGEYST-QGZVFWFLSA-N 2 1 275.440 2.322 20 0 CEADMP C[N@@H+](Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)C[NH3+] ZINC000313347586 154209763 /nfs/dbraw/zinc/20/97/63/154209763.db2.gz NBNBTGIPQUNYSZ-KRWDZBQOSA-N 2 1 270.376 2.105 20 0 CEADMP C[N@H+](Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)C[NH3+] ZINC000313347586 154209767 /nfs/dbraw/zinc/20/97/67/154209767.db2.gz NBNBTGIPQUNYSZ-KRWDZBQOSA-N 2 1 270.376 2.105 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000346695228 154294233 /nfs/dbraw/zinc/29/42/33/154294233.db2.gz ZBOXXXDOOMRLLU-MRXNPFEDSA-N 2 1 290.455 2.487 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000346695228 154294238 /nfs/dbraw/zinc/29/42/38/154294238.db2.gz ZBOXXXDOOMRLLU-MRXNPFEDSA-N 2 1 290.455 2.487 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC000346814492 154296266 /nfs/dbraw/zinc/29/62/66/154296266.db2.gz BYUFCDUHXOISJV-CQSZACIVSA-N 2 1 293.459 2.320 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC000346814492 154296270 /nfs/dbraw/zinc/29/62/70/154296270.db2.gz BYUFCDUHXOISJV-CQSZACIVSA-N 2 1 293.459 2.320 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000351857322 154318114 /nfs/dbraw/zinc/31/81/14/154318114.db2.gz XFNXWTNNVZJFSK-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000351857322 154318117 /nfs/dbraw/zinc/31/81/17/154318117.db2.gz XFNXWTNNVZJFSK-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP C[C@H]1C[C@@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352732925 154331646 /nfs/dbraw/zinc/33/16/46/154331646.db2.gz ADUMAPVEVAYTBW-RYUDHWBXSA-N 2 1 283.441 2.109 20 0 CEADMP C[C@@H]1CCC[C@H](C[N@@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000352770093 154332539 /nfs/dbraw/zinc/33/25/39/154332539.db2.gz QJTXNZLHWGDCIH-SJORKVTESA-N 2 1 281.488 2.382 20 0 CEADMP c1ccc(CSCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357121888 154382794 /nfs/dbraw/zinc/38/27/94/154382794.db2.gz QFMCXGSUIMOXAU-HOTGVXAUSA-N 2 1 276.449 2.461 20 0 CEADMP c1ccc(CSCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357121888 154382799 /nfs/dbraw/zinc/38/27/99/154382799.db2.gz QFMCXGSUIMOXAU-HOTGVXAUSA-N 2 1 276.449 2.461 20 0 CEADMP CCO[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C(C)C ZINC000343249834 286446367 /nfs/dbraw/zinc/44/63/67/286446367.db2.gz FNUYBNNBSHDCIN-WCXIOVBPSA-N 2 1 298.471 2.184 20 0 CEADMP COC1(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)CCCC1 ZINC000359714863 155120812 /nfs/dbraw/zinc/12/08/12/155120812.db2.gz DJRWNUOBWNGFSC-ZDUSSCGKSA-N 2 1 265.401 2.376 20 0 CEADMP COC1(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CCCCC1 ZINC000359736125 155125204 /nfs/dbraw/zinc/12/52/04/155125204.db2.gz NNRAOLJAXJVQRI-INIZCTEOSA-N 2 1 298.471 2.162 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000359777221 155128113 /nfs/dbraw/zinc/12/81/13/155128113.db2.gz GCWHQXZEFFKXOE-JONQDZQNSA-N 2 1 297.487 2.484 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000359777221 155128115 /nfs/dbraw/zinc/12/81/15/155128115.db2.gz GCWHQXZEFFKXOE-JONQDZQNSA-N 2 1 297.487 2.484 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000359777221 155128117 /nfs/dbraw/zinc/12/81/17/155128117.db2.gz GCWHQXZEFFKXOE-JONQDZQNSA-N 2 1 297.487 2.484 20 0 CEADMP c1ccc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)nc1 ZINC000363259590 156019093 /nfs/dbraw/zinc/01/90/93/156019093.db2.gz PHFRAMKKZPAEJB-OIISXLGYSA-N 2 1 271.408 2.040 20 0 CEADMP c1ccc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)nc1 ZINC000363259590 156019095 /nfs/dbraw/zinc/01/90/95/156019095.db2.gz PHFRAMKKZPAEJB-OIISXLGYSA-N 2 1 271.408 2.040 20 0 CEADMP c1ccc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)nc1 ZINC000363259590 156019098 /nfs/dbraw/zinc/01/90/98/156019098.db2.gz PHFRAMKKZPAEJB-OIISXLGYSA-N 2 1 271.408 2.040 20 0 CEADMP CCOC1CC(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000367159122 156142168 /nfs/dbraw/zinc/14/21/68/156142168.db2.gz VKUAKJLNLDDWAG-GRAKBVBRSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000367159122 156142172 /nfs/dbraw/zinc/14/21/72/156142172.db2.gz VKUAKJLNLDDWAG-GRAKBVBRSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000367159122 156142174 /nfs/dbraw/zinc/14/21/74/156142174.db2.gz VKUAKJLNLDDWAG-GRAKBVBRSA-N 2 1 266.429 2.218 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2O)[C@@H]2CCC[C@@H]21 ZINC000367625748 156218381 /nfs/dbraw/zinc/21/83/81/156218381.db2.gz YRCOYGUKCBGPLP-JYJNAYRXSA-N 2 1 274.408 2.397 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccn2)[C@H]2CCC[C@H]21 ZINC000367618934 156219689 /nfs/dbraw/zinc/21/96/89/156219689.db2.gz ULOVLBOAPVPUCP-OWCLPIDISA-N 2 1 259.397 2.087 20 0 CEADMP COCC[NH+]1CCC([NH2+]C2CC(c3ccccn3)C2)CC1 ZINC000368025085 156273763 /nfs/dbraw/zinc/27/37/63/156273763.db2.gz VDHOLHWLUSQETH-UHFFFAOYSA-N 2 1 289.423 2.028 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C1(C)C ZINC000368451643 156346093 /nfs/dbraw/zinc/34/60/93/156346093.db2.gz XFKQALFDXDNOAX-HZSPNIEDSA-N 2 1 277.412 2.239 20 0 CEADMP CCn1nccc1CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000374772831 157012795 /nfs/dbraw/zinc/01/27/95/157012795.db2.gz BZAYQGZHCRHSOA-MRXNPFEDSA-N 2 1 290.455 2.396 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]CCCO)[C@H]1c1ccccc1 ZINC000375465199 157100302 /nfs/dbraw/zinc/10/03/02/157100302.db2.gz MPPGBBJZLWELAA-HZPDHXFCSA-N 2 1 262.397 2.042 20 0 CEADMP CCOC1CC(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000375673711 157123739 /nfs/dbraw/zinc/12/37/39/157123739.db2.gz QUKMHPVQNSMZKY-SHARSMKWSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CCC[NH+]1CCCCC1 ZINC000375746197 157137346 /nfs/dbraw/zinc/13/73/46/157137346.db2.gz XLXLCGLRLUTTIC-SMLCLMEVSA-N 2 1 278.440 2.218 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000375897053 157158119 /nfs/dbraw/zinc/15/81/19/157158119.db2.gz CUHXRRFMSBUMLR-QAETUUGQSA-N 2 1 274.408 2.182 20 0 CEADMP CSCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171305874 162382796 /nfs/dbraw/zinc/38/27/96/162382796.db2.gz BRAWEGQNUYUCLC-OKILXGFUSA-N 2 1 286.485 2.171 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2OC)C1 ZINC000173907953 165088544 /nfs/dbraw/zinc/08/85/44/165088544.db2.gz VYEFGZQLRAOWSM-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2OC)C1 ZINC000173907953 165088548 /nfs/dbraw/zinc/08/85/48/165088548.db2.gz VYEFGZQLRAOWSM-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2OC)C1 ZINC000173907953 165088549 /nfs/dbraw/zinc/08/85/49/165088549.db2.gz VYEFGZQLRAOWSM-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2OC)C1 ZINC000173907953 165088551 /nfs/dbraw/zinc/08/85/51/165088551.db2.gz VYEFGZQLRAOWSM-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP Cn1c2ccccc2nc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178981298 165267576 /nfs/dbraw/zinc/26/75/76/165267576.db2.gz HJGJTSRZJOISLW-UHFFFAOYSA-N 2 1 272.396 2.005 20 0 CEADMP c1cn(CCC[N@H+]2CC[C@H](Nc3ccccc3)C2)cn1 ZINC000183189117 165386076 /nfs/dbraw/zinc/38/60/76/165386076.db2.gz ZORZXUZCPIKZQH-INIZCTEOSA-N 2 1 270.380 2.460 20 0 CEADMP FC(F)Oc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000284313178 196026796 /nfs/dbraw/zinc/02/67/96/196026796.db2.gz JNAAORBDSQCXHR-OLZOCXBDSA-N 2 1 297.349 2.399 20 0 CEADMP FC(F)Oc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000284313178 196026797 /nfs/dbraw/zinc/02/67/97/196026797.db2.gz JNAAORBDSQCXHR-OLZOCXBDSA-N 2 1 297.349 2.399 20 0 CEADMP CCn1nccc1CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000284534498 196078709 /nfs/dbraw/zinc/07/87/09/196078709.db2.gz WZAUHPXZZKTDRW-CYBMUJFWSA-N 2 1 273.384 2.048 20 0 CEADMP COc1cc(C[NH2+]CCC[NH+]2CCCC2)cc(OC)c1 ZINC000020129161 171017137 /nfs/dbraw/zinc/01/71/37/171017137.db2.gz XWAHMQCFCRYJEE-UHFFFAOYSA-N 2 1 278.396 2.279 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000252223529 287267990 /nfs/dbraw/zinc/26/79/90/287267990.db2.gz ZRJZEIWMFOWBIR-ZACQAIPSSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252223529 287267993 /nfs/dbraw/zinc/26/79/93/287267993.db2.gz ZRJZEIWMFOWBIR-ZACQAIPSSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252223529 287267997 /nfs/dbraw/zinc/26/79/97/287267997.db2.gz ZRJZEIWMFOWBIR-ZACQAIPSSA-N 2 1 279.472 2.467 20 0 CEADMP C[N@H+](C[C@@H](O)c1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285573850 196332195 /nfs/dbraw/zinc/33/21/95/196332195.db2.gz SSAGZCZIIFPBKB-DVJFUJMWSA-N 2 1 292.398 2.416 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285573850 196332196 /nfs/dbraw/zinc/33/21/96/196332196.db2.gz SSAGZCZIIFPBKB-DVJFUJMWSA-N 2 1 292.398 2.416 20 0 CEADMP C[NH+](C[C@@H](O)c1ccccc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285573850 196332197 /nfs/dbraw/zinc/33/21/97/196332197.db2.gz SSAGZCZIIFPBKB-DVJFUJMWSA-N 2 1 292.398 2.416 20 0 CEADMP C[NH+](C[C@@H](O)c1ccccc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285573850 196332199 /nfs/dbraw/zinc/33/21/99/196332199.db2.gz SSAGZCZIIFPBKB-DVJFUJMWSA-N 2 1 292.398 2.416 20 0 CEADMP CCOc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OC ZINC000037248687 173061404 /nfs/dbraw/zinc/06/14/04/173061404.db2.gz CPHFSQDUWJJZFR-UHFFFAOYSA-N 2 1 278.396 2.278 20 0 CEADMP CCC1(CC)C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CCS1 ZINC000660290954 414758223 /nfs/dbraw/zinc/75/82/23/414758223.db2.gz SRPSAEMVTPOFML-AWEZNQCLSA-N 2 1 288.501 2.295 20 0 CEADMP CCC1(CC)C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CCS1 ZINC000660290954 414758225 /nfs/dbraw/zinc/75/82/25/414758225.db2.gz SRPSAEMVTPOFML-AWEZNQCLSA-N 2 1 288.501 2.295 20 0 CEADMP CCC1(CC)C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CCS1 ZINC000660290954 414758233 /nfs/dbraw/zinc/75/82/33/414758233.db2.gz SRPSAEMVTPOFML-AWEZNQCLSA-N 2 1 288.501 2.295 20 0 CEADMP CCC1(CC)C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CCS1 ZINC000660290954 414758236 /nfs/dbraw/zinc/75/82/36/414758236.db2.gz SRPSAEMVTPOFML-AWEZNQCLSA-N 2 1 288.501 2.295 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CCO1 ZINC000070359416 414772114 /nfs/dbraw/zinc/77/21/14/414772114.db2.gz SFASATPXHGOJJT-SOUVJXGZSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404370610 414781257 /nfs/dbraw/zinc/78/12/57/414781257.db2.gz QWIDXXHOQHIRPQ-UGUYLWEFSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404370610 414781262 /nfs/dbraw/zinc/78/12/62/414781262.db2.gz QWIDXXHOQHIRPQ-UGUYLWEFSA-N 2 1 295.471 2.131 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1CC1 ZINC000121338558 414785936 /nfs/dbraw/zinc/78/59/36/414785936.db2.gz JPGYKWRTLSHCFJ-FZKCQIBNSA-N 2 1 278.440 2.264 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121642051 414786016 /nfs/dbraw/zinc/78/60/16/414786016.db2.gz WHTKVHVADONZHR-BARDWOONSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121642051 414786020 /nfs/dbraw/zinc/78/60/20/414786020.db2.gz WHTKVHVADONZHR-BARDWOONSA-N 2 1 266.429 2.264 20 0 CEADMP CCO[C@@H]1C[N@@H+](C[C@H](C)c2ccccc2)C[C@H]1C[NH3+] ZINC000405302029 414793855 /nfs/dbraw/zinc/79/38/55/414793855.db2.gz OHIJBKJLLOBEIZ-NUEKZKHPSA-N 2 1 262.397 2.086 20 0 CEADMP CCCOc1ccc(OCC[N@@H+](C)CCC[NH3+])cc1 ZINC000123293844 414794332 /nfs/dbraw/zinc/79/43/32/414794332.db2.gz IVFAKPFZSNRWQG-UHFFFAOYSA-N 2 1 266.385 2.135 20 0 CEADMP CCO[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1C[NH3+] ZINC000405714710 414796212 /nfs/dbraw/zinc/79/62/12/414796212.db2.gz SEXUKEZNLHDGNC-HUUCEWRRSA-N 2 1 254.418 2.252 20 0 CEADMP CCO[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000405865469 414796783 /nfs/dbraw/zinc/79/67/83/414796783.db2.gz PFMAEBDBDGUTPV-TZMCWYRMSA-N 2 1 268.788 2.136 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000405865469 414796789 /nfs/dbraw/zinc/79/67/89/414796789.db2.gz PFMAEBDBDGUTPV-TZMCWYRMSA-N 2 1 268.788 2.136 20 0 CEADMP Cc1c[nH]c(C[NH2+]Cc2cccc(C[NH+](C)C)c2)n1 ZINC000657300344 414842358 /nfs/dbraw/zinc/84/23/58/414842358.db2.gz MKDFVCXJONBDMZ-UHFFFAOYSA-N 2 1 258.369 2.070 20 0 CEADMP Cc1c[nH]c(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC000657311657 414850747 /nfs/dbraw/zinc/85/07/47/414850747.db2.gz QNYFXLLJOIKHFC-ZDUSSCGKSA-N 2 1 264.417 2.320 20 0 CEADMP Cc1cccc2[nH]c(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc21 ZINC000657327899 414864091 /nfs/dbraw/zinc/86/40/91/414864091.db2.gz ZODBIZBVYKYVRT-HNNXBMFYSA-N 2 1 287.407 2.023 20 0 CEADMP Cc1ccncc1CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659595 414920526 /nfs/dbraw/zinc/92/05/26/414920526.db2.gz OTWLCIQSXKCUFV-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ccncc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659595 414920529 /nfs/dbraw/zinc/92/05/29/414920529.db2.gz OTWLCIQSXKCUFV-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ccncc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659595 414920530 /nfs/dbraw/zinc/92/05/30/414920530.db2.gz OTWLCIQSXKCUFV-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ccncc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659595 414920533 /nfs/dbraw/zinc/92/05/33/414920533.db2.gz OTWLCIQSXKCUFV-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ccncc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659595 414920535 /nfs/dbraw/zinc/92/05/35/414920535.db2.gz OTWLCIQSXKCUFV-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ncc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)s1 ZINC000660656990 414920540 /nfs/dbraw/zinc/92/05/40/414920540.db2.gz ZDZCNDWUWHJURN-AWEZNQCLSA-N 2 1 265.426 2.369 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C1CCC1 ZINC000660659953 414921418 /nfs/dbraw/zinc/92/14/18/414921418.db2.gz CPZSRVLELLENTE-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@@H](C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)C1CCC1 ZINC000660659953 414921423 /nfs/dbraw/zinc/92/14/23/414921423.db2.gz CPZSRVLELLENTE-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@@H](C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)C1CCC1 ZINC000660659953 414921428 /nfs/dbraw/zinc/92/14/28/414921428.db2.gz CPZSRVLELLENTE-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CCn1cncc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343813 414922319 /nfs/dbraw/zinc/92/23/19/414922319.db2.gz FQYPRXUTVRVTDU-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP CCn1cncc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343813 414922326 /nfs/dbraw/zinc/92/23/26/414922326.db2.gz FQYPRXUTVRVTDU-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000660661212 414922627 /nfs/dbraw/zinc/92/26/27/414922627.db2.gz BVYVGVXIBSBWRV-KSZLIROESA-N 2 1 293.499 2.382 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CCC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000660661212 414922633 /nfs/dbraw/zinc/92/26/33/414922633.db2.gz BVYVGVXIBSBWRV-KSZLIROESA-N 2 1 293.499 2.382 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CCC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000660661212 414922637 /nfs/dbraw/zinc/92/26/37/414922637.db2.gz BVYVGVXIBSBWRV-KSZLIROESA-N 2 1 293.499 2.382 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)C[N@H+]1C1CC1 ZINC000663345620 414923553 /nfs/dbraw/zinc/92/35/53/414923553.db2.gz LYJHLRVYAVUMLU-PVAVHDDUSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C[NH+]1C1CC1 ZINC000663345620 414923558 /nfs/dbraw/zinc/92/35/58/414923558.db2.gz LYJHLRVYAVUMLU-PVAVHDDUSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C[NH+]1C1CC1 ZINC000663345620 414923562 /nfs/dbraw/zinc/92/35/62/414923562.db2.gz LYJHLRVYAVUMLU-PVAVHDDUSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CN1C1CC1 ZINC000663345620 414923567 /nfs/dbraw/zinc/92/35/67/414923567.db2.gz LYJHLRVYAVUMLU-PVAVHDDUSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CN1C1CC1 ZINC000663345620 414923572 /nfs/dbraw/zinc/92/35/72/414923572.db2.gz LYJHLRVYAVUMLU-PVAVHDDUSA-N 2 1 291.483 2.323 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)CC1CCCC1)C2 ZINC000660661758 414923905 /nfs/dbraw/zinc/92/39/05/414923905.db2.gz GDRYIBRACVAKPB-IAGOWNOFSA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)CC1CCCC1)C2 ZINC000660661758 414923907 /nfs/dbraw/zinc/92/39/07/414923907.db2.gz GDRYIBRACVAKPB-IAGOWNOFSA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)CC1CCCC1)C2 ZINC000660661758 414923912 /nfs/dbraw/zinc/92/39/12/414923912.db2.gz GDRYIBRACVAKPB-IAGOWNOFSA-N 2 1 280.456 2.345 20 0 CEADMP CC(C)C[N@H+]1CCO[C@H](CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000663347181 414924487 /nfs/dbraw/zinc/92/44/87/414924487.db2.gz ULQSSADQLDNUQS-CYBMUJFWSA-N 2 1 288.395 2.332 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@H]1CC[NH2+][C@H]1C)C1CCCCC1 ZINC000653200343 414943526 /nfs/dbraw/zinc/94/35/26/414943526.db2.gz AXZODFASENJHGS-HOCLYGCPSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)CC(F)(F)F)C1CC1 ZINC000663378407 414935742 /nfs/dbraw/zinc/93/57/42/414935742.db2.gz FZWNKVFBWJDPHI-LLVKDONJSA-N 2 1 282.350 2.010 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)CC(F)(F)F)C1CC1 ZINC000663378407 414935745 /nfs/dbraw/zinc/93/57/45/414935745.db2.gz FZWNKVFBWJDPHI-LLVKDONJSA-N 2 1 282.350 2.010 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000653176254 414937291 /nfs/dbraw/zinc/93/72/91/414937291.db2.gz OBGLIWOYEKXXQP-PMPSAXMXSA-N 2 1 295.471 2.001 20 0 CEADMP CN(CCC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)CC[NH+](C)C ZINC000660560021 414876651 /nfs/dbraw/zinc/87/66/51/414876651.db2.gz JIQQSYBPLLQXQQ-IXDOHACOSA-N 2 1 281.488 2.238 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000663514956 414979678 /nfs/dbraw/zinc/97/96/78/414979678.db2.gz XGPUMJLSLIEXRX-NEPJUHHUSA-N 2 1 268.376 2.210 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1(CO)CC1 ZINC000657601672 415018591 /nfs/dbraw/zinc/01/85/91/415018591.db2.gz CLCZJWJSNCUGDZ-HNNXBMFYSA-N 2 1 288.435 2.402 20 0 CEADMP CC[N@@H+](CCCNC(=O)CC[C@H](C)[NH3+])C1CCCCC1 ZINC000653200595 414944539 /nfs/dbraw/zinc/94/45/39/414944539.db2.gz KBWUAYJLFQQXQN-AWEZNQCLSA-N 2 1 283.460 2.275 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccnn1C ZINC000663466095 414962061 /nfs/dbraw/zinc/96/20/61/414962061.db2.gz NZUCDEKZQMZPNE-ZFWWWQNUSA-N 2 1 276.428 2.193 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccnn1C ZINC000663466095 414962068 /nfs/dbraw/zinc/96/20/68/414962068.db2.gz NZUCDEKZQMZPNE-ZFWWWQNUSA-N 2 1 276.428 2.193 20 0 CEADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465841 414964064 /nfs/dbraw/zinc/96/40/64/414964064.db2.gz LSCPLUVWWLZPFJ-HZPDHXFCSA-N 2 1 288.439 2.430 20 0 CEADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465841 414964067 /nfs/dbraw/zinc/96/40/67/414964067.db2.gz LSCPLUVWWLZPFJ-HZPDHXFCSA-N 2 1 288.439 2.430 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000663469537 414966840 /nfs/dbraw/zinc/96/68/40/414966840.db2.gz QEGQGXXKUILXAA-HFTRVMKXSA-N 2 1 291.483 2.181 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469537 414966844 /nfs/dbraw/zinc/96/68/44/414966844.db2.gz QEGQGXXKUILXAA-HFTRVMKXSA-N 2 1 291.483 2.181 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469537 414966847 /nfs/dbraw/zinc/96/68/47/414966847.db2.gz QEGQGXXKUILXAA-HFTRVMKXSA-N 2 1 291.483 2.181 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469537 414966853 /nfs/dbraw/zinc/96/68/53/414966853.db2.gz QEGQGXXKUILXAA-HFTRVMKXSA-N 2 1 291.483 2.181 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469537 414966857 /nfs/dbraw/zinc/96/68/57/414966857.db2.gz QEGQGXXKUILXAA-HFTRVMKXSA-N 2 1 291.483 2.181 20 0 CEADMP COCC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccco1 ZINC000653613965 415053450 /nfs/dbraw/zinc/05/34/50/415053450.db2.gz HVDAKZPLSKXEBM-AWEZNQCLSA-N 2 1 277.368 2.313 20 0 CEADMP CCC(C)(C)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653645991 415062917 /nfs/dbraw/zinc/06/29/17/415062917.db2.gz HXQNUZGUGOGEKG-UHFFFAOYSA-N 2 1 250.390 2.358 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(CCc3noc4ccccc43)C2)C1 ZINC000653695265 415077016 /nfs/dbraw/zinc/07/70/16/415077016.db2.gz HPDHARDYNVLGSE-QGZVFWFLSA-N 2 1 285.391 2.398 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3noc4ccccc43)C2)C1 ZINC000653695265 415077024 /nfs/dbraw/zinc/07/70/24/415077024.db2.gz HPDHARDYNVLGSE-QGZVFWFLSA-N 2 1 285.391 2.398 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3noc4ccccc43)C2)C1 ZINC000653695265 415077032 /nfs/dbraw/zinc/07/70/32/415077032.db2.gz HPDHARDYNVLGSE-QGZVFWFLSA-N 2 1 285.391 2.398 20 0 CEADMP C[N@H+]1CCN(CCNc2[nH+]ccc3[nH]ccc32)CC1(C)C ZINC000663875318 415077818 /nfs/dbraw/zinc/07/78/18/415077818.db2.gz RQMHLFOPYCMRRU-UHFFFAOYSA-N 2 1 287.411 2.001 20 0 CEADMP CN1CC[N@H+](CCNc2[nH+]ccc3[nH]ccc32)CC1(C)C ZINC000663875318 415077824 /nfs/dbraw/zinc/07/78/24/415077824.db2.gz RQMHLFOPYCMRRU-UHFFFAOYSA-N 2 1 287.411 2.001 20 0 CEADMP CN1CC[N@@H+](CCNc2[nH+]ccc3[nH]ccc32)CC1(C)C ZINC000663875318 415077828 /nfs/dbraw/zinc/07/78/28/415077828.db2.gz RQMHLFOPYCMRRU-UHFFFAOYSA-N 2 1 287.411 2.001 20 0 CEADMP Cc1[nH+]ccn1CCN1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000653723192 415085697 /nfs/dbraw/zinc/08/56/97/415085697.db2.gz QQOKEVUYSIZXNV-UHFFFAOYSA-N 2 1 276.428 2.142 20 0 CEADMP Cc1[nH+]ccn1CCN1CC[N@H+](C)C2(CCCCC2)C1 ZINC000653723192 415085701 /nfs/dbraw/zinc/08/57/01/415085701.db2.gz QQOKEVUYSIZXNV-UHFFFAOYSA-N 2 1 276.428 2.142 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H](CO)Cc1ccccc1 ZINC000661091811 415091025 /nfs/dbraw/zinc/09/10/25/415091025.db2.gz PKUOXSXLZCNTBU-GOSISDBHSA-N 2 1 290.451 2.398 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C2CCCC2)CC1 ZINC000653560226 415035340 /nfs/dbraw/zinc/03/53/40/415035340.db2.gz JTXDGKPQOLUZGZ-MRXNPFEDSA-N 2 1 268.445 2.201 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1CC(C)(C)[C@H]1c1ccccc1 ZINC000653583618 415043035 /nfs/dbraw/zinc/04/30/35/415043035.db2.gz MBQOIASMTUVOHA-HZPDHXFCSA-N 2 1 276.424 2.382 20 0 CEADMP OC(C[NH+]1C[C@@H]2CCCC[C@@H]21)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933172 415043578 /nfs/dbraw/zinc/04/35/78/415043578.db2.gz KVDWXBKZMYLKQU-OTRWWLKZSA-N 2 1 278.440 2.096 20 0 CEADMP OC(C[NH+]1C[C@@H]2CCCC[C@@H]21)C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933172 415043583 /nfs/dbraw/zinc/04/35/83/415043583.db2.gz KVDWXBKZMYLKQU-OTRWWLKZSA-N 2 1 278.440 2.096 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](COC)CC2CCOCC2)C1 ZINC000657861731 415107496 /nfs/dbraw/zinc/10/74/96/415107496.db2.gz KULVIJBQQLTWMI-IAGOWNOFSA-N 2 1 298.471 2.140 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657869526 415109114 /nfs/dbraw/zinc/10/91/14/415109114.db2.gz JJPULFONQGPZGG-TZMCWYRMSA-N 2 1 263.385 2.129 20 0 CEADMP CCOC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000657876464 415110920 /nfs/dbraw/zinc/11/09/20/415110920.db2.gz MMDDKKGAMQXQBF-NFOMZHRRSA-N 2 1 254.418 2.266 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCC12CC2 ZINC000657882387 415112652 /nfs/dbraw/zinc/11/26/52/415112652.db2.gz YXVZEVIXIBVRMJ-GJZGRUSLSA-N 2 1 266.429 2.146 20 0 CEADMP CCOC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000657892779 415116710 /nfs/dbraw/zinc/11/67/10/415116710.db2.gz YLINZPLXKCLXQH-FGZQJIAISA-N 2 1 254.418 2.406 20 0 CEADMP CCOC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000657892779 415116714 /nfs/dbraw/zinc/11/67/14/415116714.db2.gz YLINZPLXKCLXQH-FGZQJIAISA-N 2 1 254.418 2.406 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000658034813 415167085 /nfs/dbraw/zinc/16/70/85/415167085.db2.gz JGKXQFZSXBSDJH-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000658059816 415182793 /nfs/dbraw/zinc/18/27/93/415182793.db2.gz XFRZHQGHZUDVPT-MRXNPFEDSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)(C)N1CC[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000658059816 415182810 /nfs/dbraw/zinc/18/28/10/415182810.db2.gz XFRZHQGHZUDVPT-MRXNPFEDSA-N 2 1 279.472 2.323 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000044531533 175196156 /nfs/dbraw/zinc/19/61/56/175196156.db2.gz NMZOLACSKJAJHO-CYBMUJFWSA-N 2 1 250.411 2.449 20 0 CEADMP C[C@@]1(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1(F)F ZINC000658218150 415259510 /nfs/dbraw/zinc/25/95/10/415259510.db2.gz COPCTXQSEVRTDV-ZIAGYGMSSA-N 2 1 288.382 2.265 20 0 CEADMP C[C@@]1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1(F)F ZINC000658222504 415262121 /nfs/dbraw/zinc/26/21/21/415262121.db2.gz OUIZTHWCMDDCLP-KGLIPLIRSA-N 2 1 288.382 2.265 20 0 CEADMP COC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(OC)c1 ZINC000661473735 415277896 /nfs/dbraw/zinc/27/78/96/415277896.db2.gz RIYIFQGOQXWFTR-NVXWUHKLSA-N 2 1 292.423 2.457 20 0 CEADMP COC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(OC)c1 ZINC000661473735 415277900 /nfs/dbraw/zinc/27/79/00/415277900.db2.gz RIYIFQGOQXWFTR-NVXWUHKLSA-N 2 1 292.423 2.457 20 0 CEADMP CCCc1nsc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000664196875 415222277 /nfs/dbraw/zinc/22/22/77/415222277.db2.gz WTKOBSBDUXYSDK-LBPRGKRZSA-N 2 1 299.488 2.175 20 0 CEADMP CCCc1nsc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000664196875 415222281 /nfs/dbraw/zinc/22/22/81/415222281.db2.gz WTKOBSBDUXYSDK-LBPRGKRZSA-N 2 1 299.488 2.175 20 0 CEADMP CC(C)[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658146001 415231783 /nfs/dbraw/zinc/23/17/83/415231783.db2.gz SVIKZQKEMRXZET-PBHICJAKSA-N 2 1 276.424 2.387 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000658339601 415327257 /nfs/dbraw/zinc/32/72/57/415327257.db2.gz KXNLGMJWCAVWQO-LAQRGFTBSA-N 2 1 290.451 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655695149 415392975 /nfs/dbraw/zinc/39/29/75/415392975.db2.gz RZZDRHLHFCECNE-YPMHNXCESA-N 2 1 253.415 2.455 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccncc1 ZINC000655721840 415410413 /nfs/dbraw/zinc/41/04/13/415410413.db2.gz RUTPGILFHYPOJJ-YOEHRIQHSA-N 2 1 289.423 2.028 20 0 CEADMP C1=CC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655729922 415418961 /nfs/dbraw/zinc/41/89/61/415418961.db2.gz PXGFMQFZSBJJHB-GDBMZVCRSA-N 2 1 264.413 2.328 20 0 CEADMP C1=C(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000655737352 415421498 /nfs/dbraw/zinc/42/14/98/415421498.db2.gz MBTKZABEDLAQGI-INIZCTEOSA-N 2 1 264.413 2.330 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@](O)(C2CC2)C1 ZINC000661630886 415367850 /nfs/dbraw/zinc/36/78/50/415367850.db2.gz DDTWVWPZEFXHKQ-HOTGVXAUSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661630886 415367860 /nfs/dbraw/zinc/36/78/60/415367860.db2.gz DDTWVWPZEFXHKQ-HOTGVXAUSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661630886 415367870 /nfs/dbraw/zinc/36/78/70/415367870.db2.gz DDTWVWPZEFXHKQ-HOTGVXAUSA-N 2 1 266.429 2.098 20 0 CEADMP CC(C)OCCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655752016 415433148 /nfs/dbraw/zinc/43/31/48/415433148.db2.gz VAFIRISADKROFA-QGZVFWFLSA-N 2 1 298.471 2.425 20 0 CEADMP CC1(C)CC[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)O1 ZINC000655756692 415438136 /nfs/dbraw/zinc/43/81/36/415438136.db2.gz WHNGNFXDRDLPLQ-CVEARBPZSA-N 2 1 296.455 2.177 20 0 CEADMP CCOC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000655770163 415446672 /nfs/dbraw/zinc/44/66/72/415446672.db2.gz AVCGUHCKFRRCFX-INIZCTEOSA-N 2 1 296.455 2.179 20 0 CEADMP FC(F)(F)C1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655767760 415448645 /nfs/dbraw/zinc/44/86/45/415448645.db2.gz YQJAKQPOZRLZQU-LBPRGKRZSA-N 2 1 292.345 2.172 20 0 CEADMP CC(C)(O)C(C)(C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655773931 415452507 /nfs/dbraw/zinc/45/25/07/415452507.db2.gz LIBWOMFQYPNIOF-HNNXBMFYSA-N 2 1 298.471 2.017 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CS1 ZINC000655776664 415455872 /nfs/dbraw/zinc/45/58/72/415455872.db2.gz KQOBZOYFJHSFNJ-YUELXQCFSA-N 2 1 284.469 2.113 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000664719139 415461908 /nfs/dbraw/zinc/46/19/08/415461908.db2.gz OHTCPENTMAPWAQ-UHFFFAOYSA-N 2 1 289.423 2.140 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccn2)[C@@H](C)C1 ZINC000655838216 415510818 /nfs/dbraw/zinc/51/08/18/415510818.db2.gz KXAAGZKBZFMLJY-LZWOXQAQSA-N 2 1 261.413 2.333 20 0 CEADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H](O)C(F)F)CC1 ZINC000358646735 287311380 /nfs/dbraw/zinc/31/13/80/287311380.db2.gz DKXCMWCULQOCRC-MRVWCRGKSA-N 2 1 290.398 2.245 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2noc3ccccc32)CC[C@H]1[NH3+] ZINC000655938559 415558549 /nfs/dbraw/zinc/55/85/49/415558549.db2.gz XXTAYBZKRAIGCR-DGCLKSJQSA-N 2 1 259.353 2.039 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCc1noc2ccccc12 ZINC000655941385 415559421 /nfs/dbraw/zinc/55/94/21/415559421.db2.gz SBWBHFZAUYTKAV-XHBSWPGZSA-N 2 1 273.380 2.346 20 0 CEADMP COc1ccc(CC[N@@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000655945379 415559525 /nfs/dbraw/zinc/55/95/25/415559525.db2.gz RKIKHXYBBCPQHP-UHFFFAOYSA-N 2 1 274.408 2.441 20 0 CEADMP COc1ccc(CC[N@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000655945379 415559531 /nfs/dbraw/zinc/55/95/31/415559531.db2.gz RKIKHXYBBCPQHP-UHFFFAOYSA-N 2 1 274.408 2.441 20 0 CEADMP c1ccc2c(CC[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)noc2c1 ZINC000655941449 415560663 /nfs/dbraw/zinc/56/06/63/415560663.db2.gz URCLUMLTAZTZRP-JSGCOSHPSA-N 2 1 271.364 2.054 20 0 CEADMP c1ccc2c(CC[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)noc2c1 ZINC000655941449 415560669 /nfs/dbraw/zinc/56/06/69/415560669.db2.gz URCLUMLTAZTZRP-JSGCOSHPSA-N 2 1 271.364 2.054 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1nnc2n1CCCCC2 ZINC000656197522 415633584 /nfs/dbraw/zinc/63/35/84/415633584.db2.gz PXGPZBWHJCQKLY-MCIONIFRSA-N 2 1 291.443 2.315 20 0 CEADMP C[C@@H]([NH2+]CCc1noc2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000665232570 415633780 /nfs/dbraw/zinc/63/37/80/415633780.db2.gz PHXIGKJVSCJDRY-YPMHNXCESA-N 2 1 259.353 2.100 20 0 CEADMP C[C@H](CCCCO)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257519 415653454 /nfs/dbraw/zinc/65/34/54/415653454.db2.gz LTJQKTOCFSZDSQ-KBRIMQKVSA-N 2 1 294.414 2.412 20 0 CEADMP Cc1cc(F)ccc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662151045 415656789 /nfs/dbraw/zinc/65/67/89/415656789.db2.gz DRLJIRUAVKOMLS-KRWDZBQOSA-N 2 1 292.398 2.165 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000665266818 415660643 /nfs/dbraw/zinc/66/06/43/415660643.db2.gz KGKGBIQVXPEJBY-RBSFLKMASA-N 2 1 265.445 2.253 20 0 CEADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283968 415673034 /nfs/dbraw/zinc/67/30/34/415673034.db2.gz XWUIIZQGUYXFKQ-VHDGCEQUSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(C2CC2)c1 ZINC000665292518 415678336 /nfs/dbraw/zinc/67/83/36/415678336.db2.gz BTEHSVNZFPMUCL-NSHDSACASA-N 2 1 298.390 2.369 20 0 CEADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291631 415679575 /nfs/dbraw/zinc/67/95/75/415679575.db2.gz GZLVVNNCIGSQKH-FZMZJTMJSA-N 2 1 298.390 2.287 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCc2ccccc21 ZINC000662197140 415681794 /nfs/dbraw/zinc/68/17/94/415681794.db2.gz RIJFXWRWPBHGSA-SJORKVTESA-N 2 1 290.451 2.349 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000662197140 415681797 /nfs/dbraw/zinc/68/17/97/415681797.db2.gz RIJFXWRWPBHGSA-SJORKVTESA-N 2 1 290.451 2.349 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000662197140 415681804 /nfs/dbraw/zinc/68/18/04/415681804.db2.gz RIJFXWRWPBHGSA-SJORKVTESA-N 2 1 290.451 2.349 20 0 CEADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000071145874 176042200 /nfs/dbraw/zinc/04/22/00/176042200.db2.gz CSVHMGHVRQXUAD-HNNXBMFYSA-N 2 1 292.423 2.396 20 0 CEADMP CC(C)CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662253046 415717410 /nfs/dbraw/zinc/71/74/10/415717410.db2.gz SXQIBWNCKXJPCU-CQSZACIVSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H](c1ccccc1F)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250740 415717673 /nfs/dbraw/zinc/71/76/73/415717673.db2.gz NCVGEEQJNVWCJK-QWHCGFSZSA-N 2 1 278.371 2.340 20 0 CEADMP CCC[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255681 415720714 /nfs/dbraw/zinc/72/07/14/415720714.db2.gz DDSMQMDVCIPKGS-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP Fc1cccc([C@@H]2CC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662255683 415721018 /nfs/dbraw/zinc/72/10/18/415721018.db2.gz DEKBBRAOPWCRHO-CABCVRRESA-N 2 1 276.355 2.094 20 0 CEADMP CC[C@@H]([NH3+])c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468301 415726343 /nfs/dbraw/zinc/72/63/43/415726343.db2.gz JMCDTRGJTTZUMX-JKSUJKDBSA-N 2 1 299.422 2.210 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)C1CCCCC1 ZINC000662264802 415729925 /nfs/dbraw/zinc/72/99/25/415729925.db2.gz MIXWATZDZJBXFE-GZBFAFLISA-N 2 1 254.418 2.251 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCc2ccccc21 ZINC000662248431 415709872 /nfs/dbraw/zinc/70/98/72/415709872.db2.gz BCGBAAKATNFWKY-ZBFHGGJFSA-N 2 1 272.392 2.127 20 0 CEADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248550 415710635 /nfs/dbraw/zinc/71/06/35/415710635.db2.gz FSVZTOZGRVDRBV-ZFWWWQNUSA-N 2 1 260.381 2.200 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCSc2cccc(OC)c2)C1 ZINC000662247697 415710732 /nfs/dbraw/zinc/71/07/32/415710732.db2.gz YNPQFABYMWWYID-ZDUSSCGKSA-N 2 1 280.437 2.329 20 0 CEADMP Fc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248457 415711866 /nfs/dbraw/zinc/71/18/66/415711866.db2.gz CADOTQSPBJKAPI-JKSUJKDBSA-N 2 1 290.382 2.484 20 0 CEADMP Fc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662250878 415714237 /nfs/dbraw/zinc/71/42/37/415714237.db2.gz QTISBYPQIARFQF-CVEARBPZSA-N 2 1 290.382 2.484 20 0 CEADMP CO[C@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1ccccc1 ZINC000662276864 415745242 /nfs/dbraw/zinc/74/52/42/415745242.db2.gz MEEWQCLKPIHNSJ-KGLIPLIRSA-N 2 1 250.386 2.337 20 0 CEADMP CCc1nnc([C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)[nH]1 ZINC000662296419 415760118 /nfs/dbraw/zinc/76/01/18/415760118.db2.gz ZRLRGXPNVAORGO-JSGCOSHPSA-N 2 1 291.443 2.140 20 0 CEADMP C[C@H](CO)[C@@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000662301283 415766450 /nfs/dbraw/zinc/76/64/50/415766450.db2.gz QOTNIRKDJWMQSF-ZBFHGGJFSA-N 2 1 268.445 2.249 20 0 CEADMP Fc1cccc([C@@H]2COCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000662309722 415769857 /nfs/dbraw/zinc/76/98/57/415769857.db2.gz CUWSCWLUMRMHIB-BBRMVZONSA-N 2 1 278.371 2.199 20 0 CEADMP Fc1cccc([C@@H]2COCC[N@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000662309722 415769860 /nfs/dbraw/zinc/76/98/60/415769860.db2.gz CUWSCWLUMRMHIB-BBRMVZONSA-N 2 1 278.371 2.199 20 0 CEADMP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662313568 415773814 /nfs/dbraw/zinc/77/38/14/415773814.db2.gz MCZXTMPWWBKACY-MCIONIFRSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@@H]1CCC[NH3+] ZINC000662314383 415774396 /nfs/dbraw/zinc/77/43/96/415774396.db2.gz CIMBUSHWXFSERX-BZUAXINKSA-N 3 1 267.461 2.216 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)C1CCCC1 ZINC000662284115 415753478 /nfs/dbraw/zinc/75/34/78/415753478.db2.gz TTWBLLAIEXGBQD-LQKXBSAESA-N 2 1 268.445 2.497 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)c1ccccc1 ZINC000659874470 415753564 /nfs/dbraw/zinc/75/35/64/415753564.db2.gz OUXPXILTGAPLDO-DOTOQJQBSA-N 2 1 278.440 2.423 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H](C)c1ccccc1 ZINC000659874470 415753566 /nfs/dbraw/zinc/75/35/66/415753566.db2.gz OUXPXILTGAPLDO-DOTOQJQBSA-N 2 1 278.440 2.423 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C[C@H](C)c1ccccc1 ZINC000659874470 415753571 /nfs/dbraw/zinc/75/35/71/415753571.db2.gz OUXPXILTGAPLDO-DOTOQJQBSA-N 2 1 278.440 2.423 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000659874470 415753574 /nfs/dbraw/zinc/75/35/74/415753574.db2.gz OUXPXILTGAPLDO-DOTOQJQBSA-N 2 1 278.440 2.423 20 0 CEADMP CC[NH+](CC)CCCN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293857 415758261 /nfs/dbraw/zinc/75/82/61/415758261.db2.gz UCWLHERTCLOSGB-QGZVFWFLSA-N 2 1 281.488 2.430 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccnc(N)c2)[C@@H]1CCC[NH3+] ZINC000662318332 415778422 /nfs/dbraw/zinc/77/84/22/415778422.db2.gz YFEBCDUOSOHULG-TZMCWYRMSA-N 2 1 262.401 2.003 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H](CC(F)(F)F)O1 ZINC000662325940 415780423 /nfs/dbraw/zinc/78/04/23/415780423.db2.gz LWSJMDOXLMOURC-GRYCIOLGSA-N 2 1 280.334 2.028 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)OC ZINC000659927733 415788603 /nfs/dbraw/zinc/78/86/03/415788603.db2.gz IKBANVRJAKJUGR-ULQDDVLXSA-N 2 1 298.471 2.234 20 0 CEADMP COC[C@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)OC ZINC000659927733 415788608 /nfs/dbraw/zinc/78/86/08/415788608.db2.gz IKBANVRJAKJUGR-ULQDDVLXSA-N 2 1 298.471 2.234 20 0 CEADMP COC[C@H](C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)OC ZINC000659927733 415788613 /nfs/dbraw/zinc/78/86/13/415788613.db2.gz IKBANVRJAKJUGR-ULQDDVLXSA-N 2 1 298.471 2.234 20 0 CEADMP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000662343039 415790792 /nfs/dbraw/zinc/79/07/92/415790792.db2.gz NXPBDWBQLSIXEA-KGLIPLIRSA-N 2 1 297.830 2.057 20 0 CEADMP C[C@H]1C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H](C)C1 ZINC000656707299 415826780 /nfs/dbraw/zinc/82/67/80/415826780.db2.gz XBXSPVPINLVAQG-ORIJERBGSA-N 2 1 268.445 2.103 20 0 CEADMP C[C@H]1C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H](C)C1 ZINC000656707299 415826785 /nfs/dbraw/zinc/82/67/85/415826785.db2.gz XBXSPVPINLVAQG-ORIJERBGSA-N 2 1 268.445 2.103 20 0 CEADMP CC(C)[NH2+]C1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660064135 415868538 /nfs/dbraw/zinc/86/85/38/415868538.db2.gz IRTDZIDRFCRLGM-IYBDPMFKSA-N 2 1 281.488 2.427 20 0 CEADMP c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(C[NH+]2CCCCC2)c1 ZINC000662517882 415872551 /nfs/dbraw/zinc/87/25/51/415872551.db2.gz SJZIHHHZGRLIRF-KDURUIRLSA-N 3 1 299.462 2.324 20 0 CEADMP c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(C[NH+]2CCCCC2)c1 ZINC000662517882 415872556 /nfs/dbraw/zinc/87/25/56/415872556.db2.gz SJZIHHHZGRLIRF-KDURUIRLSA-N 3 1 299.462 2.324 20 0 CEADMP C[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1n1ccnc1 ZINC000660111756 415884774 /nfs/dbraw/zinc/88/47/74/415884774.db2.gz HGRJBVXYZSBYKL-AGIUHOORSA-N 2 1 285.338 2.190 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCC1CCC1 ZINC000660117104 415887362 /nfs/dbraw/zinc/88/73/62/415887362.db2.gz MBOYSMCOUUMVSC-BZUAXINKSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)CNC(=O)CCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000660166711 415913496 /nfs/dbraw/zinc/91/34/96/415913496.db2.gz DIQRSASJRUDWTC-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786479 415860855 /nfs/dbraw/zinc/86/08/55/415860855.db2.gz SXCOLWGNKXQVPV-OAHLLOKOSA-N 2 1 276.428 2.238 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788149 415862275 /nfs/dbraw/zinc/86/22/75/415862275.db2.gz DZKCCJGRZYNLND-UHFFFAOYSA-N 2 1 258.369 2.004 20 0 CEADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]CC[C@H]2CCOC2)cc1 ZINC000656788550 415862681 /nfs/dbraw/zinc/86/26/81/415862681.db2.gz AJSRBAQQLZGTHS-USXIJHARSA-N 2 1 274.408 2.148 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+]CC2([NH3+])CCCC2)cn1 ZINC000656789087 415864997 /nfs/dbraw/zinc/86/49/97/415864997.db2.gz IQWAWUCEHPFGEX-UHFFFAOYSA-N 2 1 276.428 2.287 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662731833 415947500 /nfs/dbraw/zinc/94/75/00/415947500.db2.gz CKHCYROPWSHUDZ-CQSZACIVSA-N 2 1 293.455 2.029 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000662745230 415950811 /nfs/dbraw/zinc/95/08/11/415950811.db2.gz KKFWOUGEZSMUQA-HOTGVXAUSA-N 2 1 297.487 2.330 20 0 CEADMP Cc1cc(C)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000076521584 177032722 /nfs/dbraw/zinc/03/27/22/177032722.db2.gz LNWHZQBNHVWQGP-KRWDZBQOSA-N 2 1 287.451 2.091 20 0 CEADMP CCSc1cccc(C[NH2+]C[C@H](O)CN(C)C2CC2)c1 ZINC000566733388 299018283 /nfs/dbraw/zinc/01/82/83/299018283.db2.gz RXFMBHCIKAYZHR-HNNXBMFYSA-N 2 1 294.464 2.343 20 0 CEADMP CCn1cncc1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000417992011 227393707 /nfs/dbraw/zinc/39/37/07/227393707.db2.gz NWXZKHQCPWMNIB-UHFFFAOYSA-N 2 1 264.417 2.115 20 0 CEADMP c1[nH]c(-c2ccccc2)nc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952340 419491414 /nfs/dbraw/zinc/49/14/14/419491414.db2.gz RVCOWDVPWCZDAU-OAHLLOKOSA-N 2 1 282.391 2.308 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC000666770387 419424369 /nfs/dbraw/zinc/42/43/69/419424369.db2.gz XVFHTHUFTMYFEJ-CVEARBPZSA-N 2 1 274.408 2.284 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000666172080 419564627 /nfs/dbraw/zinc/56/46/27/419564627.db2.gz AAZNHNOAVUORGF-WCQYABFASA-N 2 1 250.390 2.101 20 0 CEADMP c1ccc(C2CC2)c(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000666965288 419495948 /nfs/dbraw/zinc/49/59/48/419495948.db2.gz LWKCQPPWKYKNRK-OAHLLOKOSA-N 2 1 260.381 2.032 20 0 CEADMP c1nc2ccccn2c1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000666968803 419498099 /nfs/dbraw/zinc/49/80/99/419498099.db2.gz DCOJFTRWCXBCMQ-HOCLYGCPSA-N 2 1 284.407 2.298 20 0 CEADMP c1nc2ccccn2c1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000666968803 419498105 /nfs/dbraw/zinc/49/81/05/419498105.db2.gz DCOJFTRWCXBCMQ-HOCLYGCPSA-N 2 1 284.407 2.298 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC23CC3)CCOCC1 ZINC000517964312 260327776 /nfs/dbraw/zinc/32/77/76/260327776.db2.gz AWKKIQCHENVNEZ-CYBMUJFWSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000393683603 270343759 /nfs/dbraw/zinc/34/37/59/270343759.db2.gz SUIACBLMAHVERH-FRRDWIJNSA-N 2 1 256.434 2.102 20 0 CEADMP CCC[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000187679087 270255451 /nfs/dbraw/zinc/25/54/51/270255451.db2.gz BRWJDVLZEAOOQB-HZPDHXFCSA-N 2 1 267.461 2.277 20 0 CEADMP COCc1cnc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414774658 263044054 /nfs/dbraw/zinc/04/40/54/263044054.db2.gz FQGWFHOBEOWIGT-STQMWFEESA-N 2 1 295.452 2.111 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000430573816 263300220 /nfs/dbraw/zinc/30/02/20/263300220.db2.gz MUQJSTNFLLUHLV-LSDHHAIUSA-N 2 1 261.413 2.182 20 0 CEADMP CN(C)c1ncc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)n1C ZINC000425372802 264202816 /nfs/dbraw/zinc/20/28/16/264202816.db2.gz UDVSHCIGVDNAHF-GJZGRUSLSA-N 2 1 274.412 2.107 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)Cc2ccccc2)[C@@H](C)C1 ZINC000425417542 264295584 /nfs/dbraw/zinc/29/55/84/264295584.db2.gz MTXDBWJFMDQPON-RYQLBKOJSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)Cc2ccccc2)[C@@H](C)C1 ZINC000425417542 264295586 /nfs/dbraw/zinc/29/55/86/264295586.db2.gz MTXDBWJFMDQPON-RYQLBKOJSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2)[C@@H](C)C1 ZINC000425417542 264295587 /nfs/dbraw/zinc/29/55/87/264295587.db2.gz MTXDBWJFMDQPON-RYQLBKOJSA-N 2 1 290.451 2.252 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CC2)C[C@H]1C ZINC000425420589 264311779 /nfs/dbraw/zinc/31/17/79/264311779.db2.gz LCAXREXVWUTPGW-SNPRPXQTSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)C2CC2)C[C@H]1C ZINC000425420589 264311781 /nfs/dbraw/zinc/31/17/81/264311781.db2.gz LCAXREXVWUTPGW-SNPRPXQTSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)C2CC2)C[C@H]1C ZINC000425420589 264311783 /nfs/dbraw/zinc/31/17/83/264311783.db2.gz LCAXREXVWUTPGW-SNPRPXQTSA-N 2 1 254.418 2.216 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000192781978 270279851 /nfs/dbraw/zinc/27/98/51/270279851.db2.gz GOXDOZVOWPDMEA-SJORKVTESA-N 2 1 281.488 2.380 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000392294818 270340661 /nfs/dbraw/zinc/34/06/61/270340661.db2.gz QCOKXKLNRQYERL-IXDOHACOSA-N 3 1 277.456 2.149 20 0 CEADMP Cc1cccc(OCC[N@H+](C)CC[C@@H]2CC[NH2+]C2)c1 ZINC000420302883 270509878 /nfs/dbraw/zinc/50/98/78/270509878.db2.gz JVNSQTXUSVTAIL-HNNXBMFYSA-N 2 1 262.397 2.305 20 0 CEADMP CN(CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420328744 270518608 /nfs/dbraw/zinc/51/86/08/270518608.db2.gz MXYBSIORWSNYBL-IAGOWNOFSA-N 2 1 287.451 2.444 20 0 CEADMP CO[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)C(C)(C)C ZINC000422803574 270776538 /nfs/dbraw/zinc/77/65/38/270776538.db2.gz CYFDUWWXLYDROH-GXFFZTMASA-N 2 1 251.374 2.206 20 0 CEADMP CCOCCC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000423002098 270817297 /nfs/dbraw/zinc/81/72/97/270817297.db2.gz IUOSQEZJZWDUOG-LBPRGKRZSA-N 2 1 263.385 2.352 20 0 CEADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000423168632 270857225 /nfs/dbraw/zinc/85/72/25/270857225.db2.gz UWXPCPDVSLDMFI-MQIPJXDCSA-N 2 1 280.387 2.495 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc(-c2ccccc2)nn1C ZINC000423185258 270863684 /nfs/dbraw/zinc/86/36/84/270863684.db2.gz NFWMIURGHGZCHR-CYBMUJFWSA-N 2 1 284.407 2.490 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000423200553 270868046 /nfs/dbraw/zinc/86/80/46/270868046.db2.gz MLPNLPGBTVHXGD-CYBMUJFWSA-N 2 1 256.777 2.227 20 0 CEADMP COCc1cnc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000424369797 271051242 /nfs/dbraw/zinc/05/12/42/271051242.db2.gz BOWAHHFFOYKLAV-LBPRGKRZSA-N 2 1 295.452 2.254 20 0 CEADMP CO[C@H](C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)C1CC1 ZINC000425397208 271161041 /nfs/dbraw/zinc/16/10/41/271161041.db2.gz QZBZBUNWESQZKU-OAHLLOKOSA-N 2 1 277.412 2.100 20 0 CEADMP CC(C)c1nnc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000426310008 271210863 /nfs/dbraw/zinc/21/08/63/271210863.db2.gz MBUAQCXHFNNRQO-STQMWFEESA-N 2 1 294.468 2.420 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000428508121 271277344 /nfs/dbraw/zinc/27/73/44/271277344.db2.gz HSYNXWHFNLOVQY-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000428508121 271277347 /nfs/dbraw/zinc/27/73/47/271277347.db2.gz HSYNXWHFNLOVQY-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000428508121 271277351 /nfs/dbraw/zinc/27/73/51/271277351.db2.gz HSYNXWHFNLOVQY-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOCCOc2ccccc2)C1 ZINC000430579473 271394871 /nfs/dbraw/zinc/39/48/71/271394871.db2.gz QILFMCQBTVTHOR-HOTGVXAUSA-N 2 1 292.423 2.141 20 0 CEADMP Cn1c2ccccc2nc1CC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430590173 271395887 /nfs/dbraw/zinc/39/58/87/271395887.db2.gz HBPWEZPXBNOTOL-UHFFFAOYSA-N 2 1 274.412 2.033 20 0 CEADMP Brc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C2 ZINC000335498471 273474125 /nfs/dbraw/zinc/47/41/25/273474125.db2.gz NLAZOGMASMSEEN-ZIAGYGMSSA-N 2 1 295.224 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000133640812 274339199 /nfs/dbraw/zinc/33/91/99/274339199.db2.gz DGNUPNDHXMIVDT-IGCXYCKISA-N 2 1 258.409 2.472 20 0 CEADMP C(CN1CCCCCC1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093452763 275391165 /nfs/dbraw/zinc/39/11/65/275391165.db2.gz ZTWSAFIXYBDPIY-ZACQAIPSSA-N 2 1 279.472 2.373 20 0 CEADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000261950809 275397507 /nfs/dbraw/zinc/39/75/07/275397507.db2.gz NYYFGKOEYLMPRT-GOEBONIOSA-N 2 1 266.429 2.267 20 0 CEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000261950809 275397508 /nfs/dbraw/zinc/39/75/08/275397508.db2.gz NYYFGKOEYLMPRT-GOEBONIOSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000344294495 276024001 /nfs/dbraw/zinc/02/40/01/276024001.db2.gz IVEUMUQMDKQMGM-TUVASFSCSA-N 2 1 268.445 2.102 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000336723458 276109518 /nfs/dbraw/zinc/10/95/18/276109518.db2.gz ZJQDIUWNVFOPQA-CABCVRRESA-N 2 1 254.418 2.077 20 0 CEADMP CC1(C)CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000129554155 276118083 /nfs/dbraw/zinc/11/80/83/276118083.db2.gz LMNBHWMLKYPZOU-MJBXVCDLSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000129554155 276118084 /nfs/dbraw/zinc/11/80/84/276118084.db2.gz LMNBHWMLKYPZOU-MJBXVCDLSA-N 2 1 252.402 2.018 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348090063 276118307 /nfs/dbraw/zinc/11/83/07/276118307.db2.gz VBQWEIVEQCRVIZ-GRYCIOLGSA-N 2 1 282.350 2.416 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCCCC2)[C@H](C)C1 ZINC000304317580 276216561 /nfs/dbraw/zinc/21/65/61/276216561.db2.gz OTSUISQOVGUWSX-ZIAGYGMSSA-N 2 1 254.418 2.002 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC000345525460 276232248 /nfs/dbraw/zinc/23/22/48/276232248.db2.gz HTHZQTVEKUTTDZ-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000345525460 276232249 /nfs/dbraw/zinc/23/22/49/276232249.db2.gz HTHZQTVEKUTTDZ-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000345525460 276232250 /nfs/dbraw/zinc/23/22/50/276232250.db2.gz HTHZQTVEKUTTDZ-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000353800221 276286506 /nfs/dbraw/zinc/28/65/06/276286506.db2.gz QMSFQKIVKUBKAY-XHSDSOJGSA-N 2 1 295.471 2.238 20 0 CEADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000364867040 276306396 /nfs/dbraw/zinc/30/63/96/276306396.db2.gz XNQIUZHYGXGSHE-BZUAXINKSA-N 2 1 298.471 2.281 20 0 CEADMP CCc1nc2c(s1)[C@@H]([NH2+]C1CC[NH2+]CC1)CCC2 ZINC000335569372 276691363 /nfs/dbraw/zinc/69/13/63/276691363.db2.gz WDEYXECWTZIJRE-NSHDSACASA-N 2 1 265.426 2.425 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCc3ccncc3)C2)CC1 ZINC000374179916 277036477 /nfs/dbraw/zinc/03/64/77/277036477.db2.gz XAEPPJFCTDNKMD-UHFFFAOYSA-N 2 1 273.424 2.432 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccccc3)CC[C@H]21 ZINC000227342733 277069012 /nfs/dbraw/zinc/06/90/12/277069012.db2.gz HGCIMHSMEKGDOC-BRWVUGGUSA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)CC[C@H]21 ZINC000227342733 277069013 /nfs/dbraw/zinc/06/90/13/277069013.db2.gz HGCIMHSMEKGDOC-BRWVUGGUSA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)CC[C@H]21 ZINC000227342733 277069014 /nfs/dbraw/zinc/06/90/14/277069014.db2.gz HGCIMHSMEKGDOC-BRWVUGGUSA-N 2 1 274.408 2.136 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)C3CCCCC3)C2)C1 ZINC000334385632 277086767 /nfs/dbraw/zinc/08/67/67/277086767.db2.gz NIMMJGVICYIGHP-SJORKVTESA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)C3CCCCC3)C2)C1 ZINC000334385632 277086769 /nfs/dbraw/zinc/08/67/69/277086769.db2.gz NIMMJGVICYIGHP-SJORKVTESA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)C3CCCCC3)C2)C1 ZINC000334385632 277086770 /nfs/dbraw/zinc/08/67/70/277086770.db2.gz NIMMJGVICYIGHP-SJORKVTESA-N 2 1 280.456 2.345 20 0 CEADMP COCCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCC1 ZINC000123034399 277203494 /nfs/dbraw/zinc/20/34/94/277203494.db2.gz QZCXBUNPNQKLNS-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000279641313 277211942 /nfs/dbraw/zinc/21/19/42/277211942.db2.gz ARNLGZIXJFCSBZ-NVXWUHKLSA-N 2 1 294.439 2.321 20 0 CEADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353673020 277296509 /nfs/dbraw/zinc/29/65/09/277296509.db2.gz QVCXSVJVSAXHSD-NJVJYBDUSA-N 2 1 252.402 2.016 20 0 CEADMP CO[C@@]1(C)CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000361410109 277318949 /nfs/dbraw/zinc/31/89/49/277318949.db2.gz KBMLTNIAYLBROR-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@@]1(C)CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000361410109 277318950 /nfs/dbraw/zinc/31/89/50/277318950.db2.gz KBMLTNIAYLBROR-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@@]1(C)CCC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000361410109 277318952 /nfs/dbraw/zinc/31/89/52/277318952.db2.gz KBMLTNIAYLBROR-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000358217382 277332316 /nfs/dbraw/zinc/33/23/16/277332316.db2.gz GUZAOEHREAXKMY-NUEKZKHPSA-N 2 1 262.397 2.304 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1C[NH+](C)C[C@H]1C ZINC000358340999 277387825 /nfs/dbraw/zinc/38/78/25/277387825.db2.gz NGKXNBNOLFDMCQ-OAGGEKHMSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1C[NH+](C)C[C@H]1C ZINC000358340999 277387827 /nfs/dbraw/zinc/38/78/27/277387827.db2.gz NGKXNBNOLFDMCQ-OAGGEKHMSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@H]1C[N@H+](C)C[C@H]1C ZINC000358340999 277387828 /nfs/dbraw/zinc/38/78/28/277387828.db2.gz NGKXNBNOLFDMCQ-OAGGEKHMSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@H]1C[N@@H+](C)C[C@H]1C ZINC000358340999 277387830 /nfs/dbraw/zinc/38/78/30/277387830.db2.gz NGKXNBNOLFDMCQ-OAGGEKHMSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000359926787 278003554 /nfs/dbraw/zinc/00/35/54/278003554.db2.gz SLMXIJNZHVRWST-YVSFHVDLSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000359926787 278003556 /nfs/dbraw/zinc/00/35/56/278003556.db2.gz SLMXIJNZHVRWST-YVSFHVDLSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000359926787 278003558 /nfs/dbraw/zinc/00/35/58/278003558.db2.gz SLMXIJNZHVRWST-YVSFHVDLSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000359926787 278003560 /nfs/dbraw/zinc/00/35/60/278003560.db2.gz SLMXIJNZHVRWST-YVSFHVDLSA-N 3 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000359926787 278003562 /nfs/dbraw/zinc/00/35/62/278003562.db2.gz SLMXIJNZHVRWST-YVSFHVDLSA-N 3 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000359926787 278003563 /nfs/dbraw/zinc/00/35/63/278003563.db2.gz SLMXIJNZHVRWST-YVSFHVDLSA-N 3 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000359926787 278003565 /nfs/dbraw/zinc/00/35/65/278003565.db2.gz SLMXIJNZHVRWST-YVSFHVDLSA-N 3 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2OC(F)F)CC[N@@H+]1C ZINC000337531641 278030016 /nfs/dbraw/zinc/03/00/16/278030016.db2.gz DKHFVLNTMUAFPG-WISYIIOYSA-N 2 1 262.344 2.219 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2OC(F)F)CC[N@H+]1C ZINC000337531641 278030018 /nfs/dbraw/zinc/03/00/18/278030018.db2.gz DKHFVLNTMUAFPG-WISYIIOYSA-N 2 1 262.344 2.219 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000364811013 278125872 /nfs/dbraw/zinc/12/58/72/278125872.db2.gz ZGLFCJWLFQCOMV-SOUVJXGZSA-N 2 1 298.496 2.361 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346825861 278167424 /nfs/dbraw/zinc/16/74/24/278167424.db2.gz GWVQQDBHHKQYJH-XBVQOTNRSA-N 2 1 280.456 2.498 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1CCC(O)CC1 ZINC000353673690 278188432 /nfs/dbraw/zinc/18/84/32/278188432.db2.gz RUVAHTICLPZJOA-WLYUNCDWSA-N 2 1 254.418 2.144 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCCO1 ZINC000336789560 278258018 /nfs/dbraw/zinc/25/80/18/278258018.db2.gz JLMLLUGJWWHKGJ-SOUVJXGZSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H](C[NH2+]C1CCN(C2CC2)CC1)C[NH+]1CCCCC1 ZINC000336833092 278282891 /nfs/dbraw/zinc/28/28/91/278282891.db2.gz NOJJTZIKPASUMT-HNNXBMFYSA-N 2 1 279.472 2.325 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089145257 278341419 /nfs/dbraw/zinc/34/14/19/278341419.db2.gz UCKZTYLNCKMQGH-UKRRQHHQSA-N 3 1 267.461 2.356 20 0 CEADMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)C(C)C ZINC000104948688 279054035 /nfs/dbraw/zinc/05/40/35/279054035.db2.gz TTZBCYKTMGGIBT-AWEZNQCLSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1SCC[N@@H+](CCOCC[NH3+])[C@@H]1c1ccccc1 ZINC000357078098 279072761 /nfs/dbraw/zinc/07/27/61/279072761.db2.gz AZIHZAIHSHGLHL-ZFWWWQNUSA-N 2 1 280.437 2.140 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348090064 279160891 /nfs/dbraw/zinc/16/08/91/279160891.db2.gz VBQWEIVEQCRVIZ-IJLUTSLNSA-N 2 1 282.350 2.416 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000414697677 279180214 /nfs/dbraw/zinc/18/02/14/279180214.db2.gz CQQFDLAOKCIKIE-YQQAZPJKSA-N 2 1 279.472 2.309 20 0 CEADMP C[C@@H]1C[N@@H+](CC2(C)CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000335737204 288148412 /nfs/dbraw/zinc/14/84/12/288148412.db2.gz IJLZVCHFKHXTRO-CVEARBPZSA-N 2 1 279.472 2.134 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC23CCOCC3)CCCO1 ZINC000367092660 288164140 /nfs/dbraw/zinc/16/41/40/288164140.db2.gz GUUDCSLHRMKNGI-CVEARBPZSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC23CCOCC3)CCCO1 ZINC000367092660 288164142 /nfs/dbraw/zinc/16/41/42/288164142.db2.gz GUUDCSLHRMKNGI-CVEARBPZSA-N 2 1 296.455 2.036 20 0 CEADMP C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)OCC1CC1 ZINC000134946872 280033210 /nfs/dbraw/zinc/03/32/10/280033210.db2.gz HSRCWEQOWQHITQ-WBVHZDCISA-N 2 1 278.440 2.362 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)NC2CCCC2)C1 ZINC000245418591 280238696 /nfs/dbraw/zinc/23/86/96/280238696.db2.gz GQCUCSCJPVETLK-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C[C@@H](C)C1 ZINC000245940333 280267737 /nfs/dbraw/zinc/26/77/37/280267737.db2.gz MHZDRLNAZPBATO-FVQHAEBGSA-N 2 1 281.488 2.428 20 0 CEADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000161994560 280280628 /nfs/dbraw/zinc/28/06/28/280280628.db2.gz WKURAWVEUVFEGS-HZPDHXFCSA-N 2 1 291.439 2.121 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCOCC(C)C)[C@@H](C)C1 ZINC000246383232 280290112 /nfs/dbraw/zinc/29/01/12/280290112.db2.gz ACBFUKYHKHIYSY-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)[NH+]1CCCC1 ZINC000246978385 280316476 /nfs/dbraw/zinc/31/64/76/280316476.db2.gz JOEDKWMPPPKOLH-KKUMJFAQSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1cc(C)n(CCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000248049456 280341992 /nfs/dbraw/zinc/34/19/92/280341992.db2.gz WBSCJTICRSGZJA-XNRPHZJLSA-N 2 1 278.444 2.208 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000248084991 280342388 /nfs/dbraw/zinc/34/23/88/280342388.db2.gz SOOPSSSKBUBPFL-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000248084991 280342390 /nfs/dbraw/zinc/34/23/90/280342390.db2.gz SOOPSSSKBUBPFL-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000248084991 280342391 /nfs/dbraw/zinc/34/23/91/280342391.db2.gz SOOPSSSKBUBPFL-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000248084991 280342392 /nfs/dbraw/zinc/34/23/92/280342392.db2.gz SOOPSSSKBUBPFL-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCSC2)C[C@H](C)O1 ZINC000248387718 280345319 /nfs/dbraw/zinc/34/53/19/280345319.db2.gz PRBWJJMZGCDLDS-ZNMIVQPWSA-N 2 1 286.485 2.361 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000248422938 280346527 /nfs/dbraw/zinc/34/65/27/280346527.db2.gz YUYREMHZYILQOX-KBUPBQIOSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422844146 280933691 /nfs/dbraw/zinc/93/36/91/280933691.db2.gz KYMZZAOYQWVBCJ-LLVKDONJSA-N 2 1 288.370 2.017 20 0 CEADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422880238 280946699 /nfs/dbraw/zinc/94/66/99/280946699.db2.gz WOGCIROAKJLWEP-SOUVJXGZSA-N 2 1 289.423 2.004 20 0 CEADMP COC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000422920037 280965793 /nfs/dbraw/zinc/96/57/93/280965793.db2.gz LJPJMDBQHKXYOT-LSDHHAIUSA-N 2 1 266.360 2.245 20 0 CEADMP CC[C@@H]([NH2+]CCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422934901 280973359 /nfs/dbraw/zinc/97/33/59/280973359.db2.gz GQWCPZZPDZRODS-CABCVRRESA-N 2 1 266.360 2.325 20 0 CEADMP C[C@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)C1C[NH2+]C1 ZINC000422970028 280978292 /nfs/dbraw/zinc/97/82/92/280978292.db2.gz DZQISCFYXVVALB-AWEZNQCLSA-N 2 1 297.402 2.358 20 0 CEADMP Cc1cnc([C@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000423032230 281003069 /nfs/dbraw/zinc/00/30/69/281003069.db2.gz FCDPHTFDFJPLEM-JLLWLGSASA-N 2 1 253.415 2.285 20 0 CEADMP C[C@H]([NH2+]CCSCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423032253 281003158 /nfs/dbraw/zinc/00/31/58/281003158.db2.gz XZGNKDFMVOPLCN-IUCAKERBSA-N 2 1 256.337 2.012 20 0 CEADMP Cn1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c(-c2ccccc2)n1 ZINC000423033299 281003757 /nfs/dbraw/zinc/00/37/57/281003757.db2.gz OCMVMMGQJNETSM-HUUCEWRRSA-N 2 1 270.380 2.057 20 0 CEADMP CCC(CC)(C[NH2+][C@H](C)c1c[nH+]ccc1N)C(=O)OC ZINC000423037262 281004342 /nfs/dbraw/zinc/00/43/42/281004342.db2.gz MMPGTHCANUMSDJ-LLVKDONJSA-N 2 1 279.384 2.124 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1NCC1(C[NH+](C)C)CCCC1 ZINC000423037861 281004368 /nfs/dbraw/zinc/00/43/68/281004368.db2.gz NHYHWLIIGCTXNK-GJZGRUSLSA-N 2 1 267.461 2.086 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C1(C)C ZINC000423405616 281031162 /nfs/dbraw/zinc/03/11/62/281031162.db2.gz ZVLIIJWPBBQRBT-XDQVBPFNSA-N 2 1 254.418 2.309 20 0 CEADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423446379 281044942 /nfs/dbraw/zinc/04/49/42/281044942.db2.gz YRMBBDIZSFJHPM-KNCOVGOOSA-N 2 1 258.365 2.016 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423447419 281045674 /nfs/dbraw/zinc/04/56/74/281045674.db2.gz OYJZXYNGHCSDIJ-UPJWGTAASA-N 2 1 258.369 2.259 20 0 CEADMP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423478102 281053092 /nfs/dbraw/zinc/05/30/92/281053092.db2.gz MRHQRXJRGDIBIR-PWSUYJOCSA-N 2 1 258.312 2.045 20 0 CEADMP CC(C)C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000423531247 281064190 /nfs/dbraw/zinc/06/41/90/281064190.db2.gz ZRETTYLZLIDDIA-IRXDYDNUSA-N 2 1 275.440 2.267 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000423767557 281086514 /nfs/dbraw/zinc/08/65/14/281086514.db2.gz WFAAVIOFAAVFBO-KRWDZBQOSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@@H+](CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)C1CC1 ZINC000424158669 281125147 /nfs/dbraw/zinc/12/51/47/281125147.db2.gz RRMJBQGEXQYGPR-OAHLLOKOSA-N 2 1 295.471 2.275 20 0 CEADMP COC(=O)CC1CC([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000424327691 281149888 /nfs/dbraw/zinc/14/98/88/281149888.db2.gz ZHFUHXJEDNYAJO-HWOWSKLDSA-N 2 1 294.439 2.182 20 0 CEADMP COC(=O)CC1CC([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000424327691 281149891 /nfs/dbraw/zinc/14/98/91/281149891.db2.gz ZHFUHXJEDNYAJO-HWOWSKLDSA-N 2 1 294.439 2.182 20 0 CEADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)C(C)(C)C ZINC000424533392 281161290 /nfs/dbraw/zinc/16/12/90/281161290.db2.gz LOMVFKXUXZOUAL-UONOGXRCSA-N 2 1 297.487 2.342 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)(C)COC)C[C@@H]1C ZINC000426418466 281192304 /nfs/dbraw/zinc/19/23/04/281192304.db2.gz XCLFPQINOPQOGE-UONOGXRCSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)(C)COC)C[C@@H]1C ZINC000426418466 281192306 /nfs/dbraw/zinc/19/23/06/281192306.db2.gz XCLFPQINOPQOGE-UONOGXRCSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)(C)COC)C[C@@H]1C ZINC000426418466 281192308 /nfs/dbraw/zinc/19/23/08/281192308.db2.gz XCLFPQINOPQOGE-UONOGXRCSA-N 2 1 256.434 2.464 20 0 CEADMP C[C@H]1CC[C@@H]([N@@H+](CCO)CCC[NH+]2CCCCC2)C1 ZINC000429763089 281253055 /nfs/dbraw/zinc/25/30/55/281253055.db2.gz FDEMCVBKPYXRBT-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430635273 281272005 /nfs/dbraw/zinc/27/20/05/281272005.db2.gz GMKOQUFUYUZWIN-CYBMUJFWSA-N 2 1 293.386 2.133 20 0 CEADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000430706439 281274292 /nfs/dbraw/zinc/27/42/92/281274292.db2.gz UYELDNXXZHTIPZ-FXUDXRNXSA-N 2 1 293.455 2.027 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000430810986 281277936 /nfs/dbraw/zinc/27/79/36/281277936.db2.gz XLMNXASWVXYGTL-HUUCEWRRSA-N 2 1 283.460 2.132 20 0 CEADMP Cc1ccc(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c(F)c1 ZINC000430937348 281283292 /nfs/dbraw/zinc/28/32/92/281283292.db2.gz BDNRMANMQPVZKA-LBPRGKRZSA-N 2 1 293.386 2.132 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000430937898 281283411 /nfs/dbraw/zinc/28/34/11/281283411.db2.gz GCDXOYDTFDOTTE-CJNGLKHVSA-N 2 1 278.396 2.133 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000431572130 281308696 /nfs/dbraw/zinc/30/86/96/281308696.db2.gz SKLGZBYXJRUODQ-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+](Cc1cc(C(=O)OC)c(C)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435383176 281386673 /nfs/dbraw/zinc/38/66/73/281386673.db2.gz GTCGKSFGOZGGQL-CYBMUJFWSA-N 2 1 294.395 2.339 20 0 CEADMP CC[N@@H+](Cc1cc(C(=O)OC)c(C)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435383176 281386676 /nfs/dbraw/zinc/38/66/76/281386676.db2.gz GTCGKSFGOZGGQL-CYBMUJFWSA-N 2 1 294.395 2.339 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000375805497 281386712 /nfs/dbraw/zinc/38/67/12/281386712.db2.gz MGJQWIDLPOBRJR-BSDSXHPESA-N 2 1 288.435 2.491 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000435870814 281399498 /nfs/dbraw/zinc/39/94/98/281399498.db2.gz HQNCHANLJKPVEK-UHFFFAOYSA-N 2 1 268.426 2.458 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000435870814 281399499 /nfs/dbraw/zinc/39/94/99/281399499.db2.gz HQNCHANLJKPVEK-UHFFFAOYSA-N 2 1 268.426 2.458 20 0 CEADMP [NH3+][C@H](Cc1ccccc1)c1nc(C2([NH3+])CCCC2)no1 ZINC000442776037 281545120 /nfs/dbraw/zinc/54/51/20/281545120.db2.gz XQXWRNVZFZLNLW-GFCCVEGCSA-N 2 1 272.352 2.040 20 0 CEADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CC[NH2+]2)c1 ZINC000444169373 281580579 /nfs/dbraw/zinc/58/05/79/281580579.db2.gz RFFXWJSPKBTIHR-OAHLLOKOSA-N 2 1 298.390 2.355 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccnn1C ZINC000447599724 281844678 /nfs/dbraw/zinc/84/46/78/281844678.db2.gz YJXHENZNOZQHJA-CYBMUJFWSA-N 2 1 264.417 2.193 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(C)c3)C2)CC1 ZINC000449023528 282072258 /nfs/dbraw/zinc/07/22/58/282072258.db2.gz RPDHPKYSEQVQIG-INIZCTEOSA-N 2 1 293.480 2.268 20 0 CEADMP C[NH+](C)C(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000120967635 289036569 /nfs/dbraw/zinc/03/65/69/289036569.db2.gz UHXQEKNSIFWPIR-MCIONIFRSA-N 2 1 266.429 2.264 20 0 CEADMP CC1CC[NH+](CCN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000154016099 289130713 /nfs/dbraw/zinc/13/07/13/289130713.db2.gz LRAFPQCOAUEEMU-CVEARBPZSA-N 2 1 267.461 2.133 20 0 CEADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000124293109 289254577 /nfs/dbraw/zinc/25/45/77/289254577.db2.gz WJCPUUNKIFPNGW-BZUAXINKSA-N 2 1 295.471 2.192 20 0 CEADMP Cc1ccc(C[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)s1 ZINC000312109655 289280389 /nfs/dbraw/zinc/28/03/89/289280389.db2.gz LTXMWWTWCSTZHP-SMDDNHRTSA-N 2 1 282.453 2.032 20 0 CEADMP Cc1ccc(C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)s1 ZINC000312109655 289280390 /nfs/dbraw/zinc/28/03/90/289280390.db2.gz LTXMWWTWCSTZHP-SMDDNHRTSA-N 2 1 282.453 2.032 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000311970645 289280445 /nfs/dbraw/zinc/28/04/45/289280445.db2.gz MRNGPDSTCMCDQZ-UHFFFAOYSA-N 2 1 254.337 2.463 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](Cc2cc(COC)on2)CC1 ZINC000459298661 290109033 /nfs/dbraw/zinc/10/90/33/290109033.db2.gz JYMVCTMSRGQBIJ-UHFFFAOYSA-N 2 1 295.427 2.375 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCc3cn[nH]c3)C2)CC1 ZINC000459318650 290116177 /nfs/dbraw/zinc/11/61/77/290116177.db2.gz BYWBEWWQUWUOCR-QGZVFWFLSA-N 2 1 290.455 2.396 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCc3cn[nH]c3)C2)CC1 ZINC000459318650 290116181 /nfs/dbraw/zinc/11/61/81/290116181.db2.gz BYWBEWWQUWUOCR-QGZVFWFLSA-N 2 1 290.455 2.396 20 0 CEADMP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCc2c[nH+]cn2C)C1 ZINC000459380711 290132668 /nfs/dbraw/zinc/13/26/68/290132668.db2.gz QSIXHJYCTGYOKG-CJNGLKHVSA-N 2 1 279.428 2.130 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1COc2ccccc21 ZINC000459396002 290136140 /nfs/dbraw/zinc/13/61/40/290136140.db2.gz DLBUTBXRTJWKEL-DOMZBBRYSA-N 2 1 271.364 2.117 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459395087 290136167 /nfs/dbraw/zinc/13/61/67/290136167.db2.gz TZHHHQFGAWZNME-UHFFFAOYSA-N 2 1 271.368 2.039 20 0 CEADMP CCn1nncc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459398034 290136819 /nfs/dbraw/zinc/13/68/19/290136819.db2.gz FESVIPOOEPMUHT-ZIAGYGMSSA-N 2 1 291.443 2.041 20 0 CEADMP CCn1nncc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459398034 290136820 /nfs/dbraw/zinc/13/68/20/290136820.db2.gz FESVIPOOEPMUHT-ZIAGYGMSSA-N 2 1 291.443 2.041 20 0 CEADMP Cc1cnc([C@H]([NH2+]CCc2c[nH+]cn2C)C2CC2)s1 ZINC000459408096 290139337 /nfs/dbraw/zinc/13/93/37/290139337.db2.gz QGPCLVKQRWWOQU-CYBMUJFWSA-N 2 1 276.409 2.468 20 0 CEADMP C[C@H]([NH2+]CCc1cncn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459411769 290140567 /nfs/dbraw/zinc/14/05/67/290140567.db2.gz UUKZEDXLCATCJC-GJZGRUSLSA-N 2 1 290.455 2.205 20 0 CEADMP CCc1cnc(CC[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000459432612 290147419 /nfs/dbraw/zinc/14/74/19/290147419.db2.gz SZYFNLBMKVSMFR-UHFFFAOYSA-N 2 1 279.453 2.464 20 0 CEADMP CCN(CCc1c[nH+]cn1C)CC[NH+]1CCCCCC1 ZINC000459483150 290161553 /nfs/dbraw/zinc/16/15/53/290161553.db2.gz RWGLSTUNZRISTE-UHFFFAOYSA-N 2 1 278.444 2.161 20 0 CEADMP CC(C)(C)CC[C@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459530776 290171442 /nfs/dbraw/zinc/17/14/42/290171442.db2.gz PZLNZSPEUADYBS-CQSZACIVSA-N 2 1 268.445 2.390 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(O)CCCCC2)[C@@H]2CCC[C@H]21 ZINC000367519763 290216275 /nfs/dbraw/zinc/21/62/75/290216275.db2.gz QPKMEVSABDQPTR-SOUVJXGZSA-N 2 1 266.429 2.144 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc([S@](C)=O)cc2)C1 ZINC000459721791 290217642 /nfs/dbraw/zinc/21/76/42/290217642.db2.gz AXQRTPBYHPFRPY-YWZLYKJASA-N 2 1 294.464 2.246 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOCC2CC2)[C@H]2CCC[C@H]21 ZINC000367619508 290217914 /nfs/dbraw/zinc/21/79/14/290217914.db2.gz WTFMNIZDLHFWMQ-OWCLPIDISA-N 2 1 266.429 2.266 20 0 CEADMP Cc1ccc2ncc(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)n2c1 ZINC000459731239 290219618 /nfs/dbraw/zinc/21/96/18/290219618.db2.gz KZOIXBPKYBQUSN-OAHLLOKOSA-N 2 1 286.423 2.464 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C2CC(C)(C)C2)CC1 ZINC000459740845 290223864 /nfs/dbraw/zinc/22/38/64/290223864.db2.gz MMGKRHRWZMPSTF-UHFFFAOYSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459744866 290224332 /nfs/dbraw/zinc/22/43/32/290224332.db2.gz XZKGCJJWGLYCRG-HNNXBMFYSA-N 2 1 286.423 2.464 20 0 CEADMP C(C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21)C[NH+]1CCCCC1 ZINC000459761377 290231227 /nfs/dbraw/zinc/23/12/27/290231227.db2.gz JVGFRSOGVMHPHP-HZPDHXFCSA-N 2 1 278.440 2.363 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000459794433 290243025 /nfs/dbraw/zinc/24/30/25/290243025.db2.gz UUFIBQSFMIOFAW-JTQLQIEISA-N 2 1 290.333 2.250 20 0 CEADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000468101313 290269561 /nfs/dbraw/zinc/26/95/61/290269561.db2.gz HDNFZDBAIZJYAH-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000468101313 290269565 /nfs/dbraw/zinc/26/95/65/290269565.db2.gz HDNFZDBAIZJYAH-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000488429687 290398632 /nfs/dbraw/zinc/39/86/32/290398632.db2.gz MPSLMWMUMNDXIS-PBHICJAKSA-N 2 1 274.408 2.264 20 0 CEADMP Cc1c[nH+]cn1CC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000529488647 297951829 /nfs/dbraw/zinc/95/18/29/297951829.db2.gz RYRJWKXJWWRAPO-UHFFFAOYSA-N 2 1 290.342 2.031 20 0 CEADMP Cc1cnccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000530217615 298053433 /nfs/dbraw/zinc/05/34/33/298053433.db2.gz AEPRGSAQFSNICD-GOEBONIOSA-N 2 1 259.397 2.212 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000530220616 298054939 /nfs/dbraw/zinc/05/49/39/298054939.db2.gz BFIXGQMKPMRYJL-DAXOMENPSA-N 2 1 280.387 2.195 20 0 CEADMP CC[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677746 298115748 /nfs/dbraw/zinc/11/57/48/298115748.db2.gz RGJGNSIOGRYBHH-KGLIPLIRSA-N 2 1 281.469 2.425 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)c1C ZINC000531965903 298126773 /nfs/dbraw/zinc/12/67/73/298126773.db2.gz SRAFLYMITKNONY-MLGOLLRUSA-N 2 1 278.444 2.340 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)c1C ZINC000531965903 298126775 /nfs/dbraw/zinc/12/67/75/298126775.db2.gz SRAFLYMITKNONY-MLGOLLRUSA-N 2 1 278.444 2.340 20 0 CEADMP CC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000531970911 298127551 /nfs/dbraw/zinc/12/75/51/298127551.db2.gz BPGSXGXJOMPLJC-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CCO)CC1 ZINC000534317251 298173138 /nfs/dbraw/zinc/17/31/38/298173138.db2.gz ZYVHXXMGEQMUOD-UHFFFAOYSA-N 2 1 265.401 2.066 20 0 CEADMP CCc1cc(NCCC[NH2+]C2CCCCC2)nc(C)[nH+]1 ZINC000543864476 298312287 /nfs/dbraw/zinc/31/22/87/298312287.db2.gz TWKBAUGDZNVPIB-UHFFFAOYSA-N 2 1 276.428 2.494 20 0 CEADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000566555968 299002034 /nfs/dbraw/zinc/00/20/34/299002034.db2.gz CGIGJIPSPUPLPP-YCPHGPKFSA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000566555968 299002037 /nfs/dbraw/zinc/00/20/37/299002037.db2.gz CGIGJIPSPUPLPP-YCPHGPKFSA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000566567800 299003935 /nfs/dbraw/zinc/00/39/35/299003935.db2.gz XRQSWLOTIRHOOJ-KRWDZBQOSA-N 2 1 274.408 2.189 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000566567800 299003938 /nfs/dbraw/zinc/00/39/38/299003938.db2.gz XRQSWLOTIRHOOJ-KRWDZBQOSA-N 2 1 274.408 2.189 20 0 CEADMP C[C@H]([NH2+]CCc1ccc(F)cc1F)[C@H]1CCC[NH2+]1 ZINC000566791097 299021502 /nfs/dbraw/zinc/02/15/02/299021502.db2.gz PUDFYXUQIOBBNW-IINYFYTJSA-N 2 1 254.324 2.237 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCCO)[C@H](C)C1 ZINC000357840655 527880558 /nfs/dbraw/zinc/88/05/58/527880558.db2.gz LYODYGIEVRXKII-KGLIPLIRSA-N 2 1 256.434 2.105 20 0 CEADMP Cc1cccnc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334870086 302235997 /nfs/dbraw/zinc/23/59/97/302235997.db2.gz SRWKDLAMCZGPCG-ZBFHGGJFSA-N 2 1 259.397 2.354 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)N(C1CC1)C1CCCC1 ZINC000352503267 303385955 /nfs/dbraw/zinc/38/59/55/303385955.db2.gz DHWAAALBZLZVSZ-AWEZNQCLSA-N 2 1 293.455 2.123 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)N(C1CC1)C1CCCC1 ZINC000352503267 303385957 /nfs/dbraw/zinc/38/59/57/303385957.db2.gz DHWAAALBZLZVSZ-AWEZNQCLSA-N 2 1 293.455 2.123 20 0 CEADMP C[N@@H+](CCCC[NH2+]CCC(=O)Nc1ccccc1)C1CC1 ZINC000517025292 313102019 /nfs/dbraw/zinc/10/20/19/313102019.db2.gz MSZLZPLASCJCHC-UHFFFAOYSA-N 2 1 289.423 2.479 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000530224990 313285223 /nfs/dbraw/zinc/28/52/23/313285223.db2.gz NOKGTSWTAGXJPZ-MRXNPFEDSA-N 2 1 292.398 2.211 20 0 CEADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000530227260 313285829 /nfs/dbraw/zinc/28/58/29/313285829.db2.gz WRVJCOUDPKGXIX-OAGGEKHMSA-N 2 1 287.407 2.063 20 0 CEADMP C[C@@]1(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)CC[NH2+]C1 ZINC000530247067 313289177 /nfs/dbraw/zinc/28/91/77/313289177.db2.gz OBDCMOSBQHJSRL-GOSISDBHSA-N 2 1 298.434 2.290 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CO2 ZINC000566091291 313849383 /nfs/dbraw/zinc/84/93/83/313849383.db2.gz SEVMMYYBOFGGIP-RLCAUIQDSA-N 2 1 258.365 2.301 20 0 CEADMP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](C)C2)ccc1C[NH+](C)C ZINC000571579092 314097097 /nfs/dbraw/zinc/09/70/97/314097097.db2.gz BAWRSQXXWMESHE-ZDUSSCGKSA-N 2 1 289.423 2.337 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000574168963 314194118 /nfs/dbraw/zinc/19/41/18/314194118.db2.gz SIDRZLSFYQKZAH-UHFFFAOYSA-N 2 1 287.363 2.213 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000574168963 314194120 /nfs/dbraw/zinc/19/41/20/314194120.db2.gz SIDRZLSFYQKZAH-UHFFFAOYSA-N 2 1 287.363 2.213 20 0 CEADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000574172477 314194369 /nfs/dbraw/zinc/19/43/69/314194369.db2.gz SRMXJIRLCPOWDX-KBPBESRZSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)[NH2+]CCCNC1CC[NH+](Cc2ccncc2)CC1 ZINC000576026970 314234737 /nfs/dbraw/zinc/23/47/37/314234737.db2.gz DIXRWKYJTJKXFD-UHFFFAOYSA-N 2 1 290.455 2.024 20 0 CEADMP C[C@H]([NH2+]CCc1ccc(F)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000576814727 314312891 /nfs/dbraw/zinc/31/28/91/314312891.db2.gz RUUKMQUOMBPZMR-IINYFYTJSA-N 2 1 254.324 2.237 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000576884777 314319685 /nfs/dbraw/zinc/31/96/85/314319685.db2.gz LMUCMPUCTQLEMK-QLFBSQMISA-N 2 1 270.461 2.494 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000577040914 314335194 /nfs/dbraw/zinc/33/51/94/314335194.db2.gz GWNXRSZBUJGRFA-CQSZACIVSA-N 2 1 273.424 2.392 20 0 CEADMP CC(C)n1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000577499417 314383427 /nfs/dbraw/zinc/38/34/27/314383427.db2.gz HNRZSIXWKRBXAK-JSGCOSHPSA-N 2 1 250.390 2.071 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+]CCCc2c[nH+]cn2C)C12CCC2 ZINC000579124273 314552702 /nfs/dbraw/zinc/55/27/02/314552702.db2.gz HZNXMEPKOLZVIN-CABCVRRESA-N 2 1 277.412 2.290 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)C1 ZINC000389952055 321892897 /nfs/dbraw/zinc/89/28/97/321892897.db2.gz XIWFMMUHJIVNRP-HZPDHXFCSA-N 2 1 284.407 2.291 20 0 CEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000580328747 322311492 /nfs/dbraw/zinc/31/14/92/322311492.db2.gz DAURTUHODOVNGL-INIZCTEOSA-N 2 1 290.411 2.095 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC000580516942 322322495 /nfs/dbraw/zinc/32/24/95/322322495.db2.gz ROCIVBGTVRVLTR-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000582667044 322492468 /nfs/dbraw/zinc/49/24/68/322492468.db2.gz VDBYYIRHZGQSFH-IAGOWNOFSA-N 3 1 267.376 2.380 20 0 CEADMP C[C@H]([NH2+][C@H]1COc2ccc(F)cc21)[C@@H]1CCC[NH2+]C1 ZINC000583806504 322569354 /nfs/dbraw/zinc/56/93/54/322569354.db2.gz MUNDWOHMBBFUSC-WDMOLILDSA-N 2 1 264.344 2.237 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000584242607 327126065 /nfs/dbraw/zinc/12/60/65/327126065.db2.gz ZYFNWRINBVDSTH-OWCLPIDISA-N 2 1 267.461 2.214 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000584242607 327126067 /nfs/dbraw/zinc/12/60/67/327126067.db2.gz ZYFNWRINBVDSTH-OWCLPIDISA-N 3 1 267.461 2.214 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000584242607 327126068 /nfs/dbraw/zinc/12/60/68/327126068.db2.gz ZYFNWRINBVDSTH-OWCLPIDISA-N 3 1 267.461 2.214 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000067592591 519609475 /nfs/dbraw/zinc/60/94/75/519609475.db2.gz JVKHIOQESZLXLQ-GASCZTMLSA-N 2 1 297.487 2.199 20 0 CEADMP CC(C)[NH+](C)CC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000067592591 519609479 /nfs/dbraw/zinc/60/94/79/519609479.db2.gz JVKHIOQESZLXLQ-GASCZTMLSA-N 2 1 297.487 2.199 20 0 CEADMP CC(C)[NH+](C)CC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000067592591 519609481 /nfs/dbraw/zinc/60/94/81/519609481.db2.gz JVKHIOQESZLXLQ-GASCZTMLSA-N 2 1 297.487 2.199 20 0 CEADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358264010 519825730 /nfs/dbraw/zinc/82/57/30/519825730.db2.gz YBIHEDOOSUXYPK-FPCVCCKLSA-N 2 1 268.445 2.103 20 0 CEADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358264010 519825731 /nfs/dbraw/zinc/82/57/31/519825731.db2.gz YBIHEDOOSUXYPK-FPCVCCKLSA-N 2 1 268.445 2.103 20 0 CEADMP C[C@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)CC[N@H+]1C ZINC000357881811 534112246 /nfs/dbraw/zinc/11/22/46/534112246.db2.gz RZGIDCQBCCGVQX-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000161605055 519847259 /nfs/dbraw/zinc/84/72/59/519847259.db2.gz GUEINGBPLVJIHG-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000365190316 520610736 /nfs/dbraw/zinc/61/07/36/520610736.db2.gz NRCWLXYCFNSFFU-LSDHHAIUSA-N 2 1 254.418 2.077 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)OC)[C@@H](C)C1 ZINC000358199562 521706972 /nfs/dbraw/zinc/70/69/72/521706972.db2.gz HXZFSHWUXLXCGR-LSDHHAIUSA-N 2 1 286.460 2.138 20 0 CEADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000063165954 521977094 /nfs/dbraw/zinc/97/70/94/521977094.db2.gz RXQLEWIOMXYQJW-UHFFFAOYSA-N 2 1 293.386 2.004 20 0 CEADMP C[N@H+](CCCC1CC[NH2+]CC1)Cc1cscn1 ZINC000050953890 522726714 /nfs/dbraw/zinc/72/67/14/522726714.db2.gz WWZJMOZNRNJHDH-UHFFFAOYSA-N 2 1 253.415 2.355 20 0 CEADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1cscn1 ZINC000050953890 522726721 /nfs/dbraw/zinc/72/67/21/522726721.db2.gz WWZJMOZNRNJHDH-UHFFFAOYSA-N 2 1 253.415 2.355 20 0 CEADMP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000049554475 524168588 /nfs/dbraw/zinc/16/85/88/524168588.db2.gz UBIAEJWPMFSSMB-SJLPKXTDSA-N 2 1 289.467 2.233 20 0 CEADMP C[C@H](CC[NH+](C)C)N[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000049554477 524170105 /nfs/dbraw/zinc/17/01/05/524170105.db2.gz UBIAEJWPMFSSMB-AEFFLSMTSA-N 2 1 289.467 2.233 20 0 CEADMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000358226229 524329870 /nfs/dbraw/zinc/32/98/70/524329870.db2.gz CVAXVVYFZBIRLC-WBVHZDCISA-N 2 1 276.424 2.329 20 0 CEADMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC000358226229 524329877 /nfs/dbraw/zinc/32/98/77/524329877.db2.gz CVAXVVYFZBIRLC-WBVHZDCISA-N 2 1 276.424 2.329 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000187821608 524740390 /nfs/dbraw/zinc/74/03/90/524740390.db2.gz LNFJKSHYCJOWCB-CQSZACIVSA-N 2 1 294.414 2.193 20 0 CEADMP Cc1cnc(CC[N@H+](C)CC[C@@H]2CCC[NH+]2C)s1 ZINC000163428437 525993655 /nfs/dbraw/zinc/99/36/55/525993655.db2.gz XMGQQKNXRDLCRB-ZDUSSCGKSA-N 2 1 267.442 2.410 20 0 CEADMP Cc1cnc(CC[N@@H+](C)CC[C@@H]2CCC[NH+]2C)s1 ZINC000163428437 525993664 /nfs/dbraw/zinc/99/36/64/525993664.db2.gz XMGQQKNXRDLCRB-ZDUSSCGKSA-N 2 1 267.442 2.410 20 0 CEADMP Cc1cnc(CC[NH+](C)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC000163428437 525993677 /nfs/dbraw/zinc/99/36/77/525993677.db2.gz XMGQQKNXRDLCRB-ZDUSSCGKSA-N 2 1 267.442 2.410 20 0 CEADMP Cc1cnc(CC[NH+](C)CC[C@@H]2CCC[N@H+]2C)s1 ZINC000163428437 525993682 /nfs/dbraw/zinc/99/36/82/525993682.db2.gz XMGQQKNXRDLCRB-ZDUSSCGKSA-N 2 1 267.442 2.410 20 0 CEADMP c1ccc(OCC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000363414019 526487095 /nfs/dbraw/zinc/48/70/95/526487095.db2.gz JGNIJEPUDNUOOY-BPQIPLTHSA-N 2 1 286.419 2.482 20 0 CEADMP c1ccc(OCC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000363414019 526487102 /nfs/dbraw/zinc/48/71/02/526487102.db2.gz JGNIJEPUDNUOOY-BPQIPLTHSA-N 2 1 286.419 2.482 20 0 CEADMP c1ccc(OCC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000363414019 526487107 /nfs/dbraw/zinc/48/71/07/526487107.db2.gz JGNIJEPUDNUOOY-BPQIPLTHSA-N 2 1 286.419 2.482 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000357072360 527189039 /nfs/dbraw/zinc/18/90/39/527189039.db2.gz KRFVUQYGWZBVPM-CQSZACIVSA-N 2 1 268.788 2.452 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000163363054 527399719 /nfs/dbraw/zinc/39/97/19/527399719.db2.gz MCQCSCWNBSPINK-LSDHHAIUSA-N 2 1 295.452 2.178 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000163363054 527399722 /nfs/dbraw/zinc/39/97/22/527399722.db2.gz MCQCSCWNBSPINK-LSDHHAIUSA-N 2 1 295.452 2.178 20 0 CEADMP Cc1nccn1CCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374170731 527410630 /nfs/dbraw/zinc/41/06/30/527410630.db2.gz HFIADDHCCNXRIK-UHFFFAOYSA-N 2 1 290.455 2.389 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374170731 527410635 /nfs/dbraw/zinc/41/06/35/527410635.db2.gz HFIADDHCCNXRIK-UHFFFAOYSA-N 3 1 290.455 2.389 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374170731 527410640 /nfs/dbraw/zinc/41/06/40/527410640.db2.gz HFIADDHCCNXRIK-UHFFFAOYSA-N 3 1 290.455 2.389 20 0 CEADMP OCCCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000051020630 527536920 /nfs/dbraw/zinc/53/69/20/527536920.db2.gz PLSYYZCZCCJDLF-UHFFFAOYSA-N 2 1 276.424 2.403 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC(C)(C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000357856768 527799279 /nfs/dbraw/zinc/79/92/79/527799279.db2.gz UKYQLBYDBFAULS-HZPDHXFCSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000357856768 527799283 /nfs/dbraw/zinc/79/92/83/527799283.db2.gz UKYQLBYDBFAULS-HZPDHXFCSA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000357856768 527799287 /nfs/dbraw/zinc/79/92/87/527799287.db2.gz UKYQLBYDBFAULS-HZPDHXFCSA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@@H](C)C1 ZINC000356822938 527827401 /nfs/dbraw/zinc/82/74/01/527827401.db2.gz OMSLEBYIHPHSFI-KKUMJFAQSA-N 2 1 297.487 2.342 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOCC2CC2)C1 ZINC000174961912 527838959 /nfs/dbraw/zinc/83/89/59/527838959.db2.gz SYTUXACHOTUZJQ-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOCC2CC2)C1 ZINC000174961912 527838962 /nfs/dbraw/zinc/83/89/62/527838962.db2.gz SYTUXACHOTUZJQ-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000174961912 527838968 /nfs/dbraw/zinc/83/89/68/527838968.db2.gz SYTUXACHOTUZJQ-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC000174961912 527838971 /nfs/dbraw/zinc/83/89/71/527838971.db2.gz SYTUXACHOTUZJQ-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CC(C)C)OC)[C@@H](C)C1 ZINC000417360809 527883309 /nfs/dbraw/zinc/88/33/09/527883309.db2.gz KGDGIARJPUDDTO-KKUMJFAQSA-N 2 1 256.434 2.367 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357377722 528368371 /nfs/dbraw/zinc/36/83/71/528368371.db2.gz PHKWSHPRNKSMRG-AWEZNQCLSA-N 2 1 292.427 2.127 20 0 CEADMP CC[N@H+](Cc1ccc(-c2nc(C[NH2+]C)no2)cc1)C1CC1 ZINC000414499959 528770769 /nfs/dbraw/zinc/77/07/69/528770769.db2.gz KQPOESXBIYROQK-UHFFFAOYSA-N 2 1 286.379 2.440 20 0 CEADMP CC[N@@H+](Cc1ccc(-c2nc(C[NH2+]C)no2)cc1)C1CC1 ZINC000414499959 528770772 /nfs/dbraw/zinc/77/07/72/528770772.db2.gz KQPOESXBIYROQK-UHFFFAOYSA-N 2 1 286.379 2.440 20 0 CEADMP CC(C)[NH+](CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000357572126 528888492 /nfs/dbraw/zinc/88/84/92/528888492.db2.gz FVFMLMJTZUGOQP-IYBDPMFKSA-N 2 1 297.487 2.436 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414789100 529069145 /nfs/dbraw/zinc/06/91/45/529069145.db2.gz DZFMRHAAELHMJH-GFCCVEGCSA-N 2 1 258.312 2.361 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](C)C1 ZINC000483145139 538879835 /nfs/dbraw/zinc/87/98/35/538879835.db2.gz ODNOQZXLDFVVIG-UTSKFRMZSA-N 2 1 296.455 2.033 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000732280745 574617605 /nfs/dbraw/zinc/61/76/05/574617605.db2.gz GQGBQSUMPVNVOZ-MRXNPFEDSA-N 2 1 297.487 2.488 20 0 CEADMP c1cc(N2CCCC2)nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000733187597 574656493 /nfs/dbraw/zinc/65/64/93/574656493.db2.gz TUNGSTDWABFZOT-KGLIPLIRSA-N 2 1 287.411 2.116 20 0 CEADMP c1cc(N2CCCC2)nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000733187597 574656495 /nfs/dbraw/zinc/65/64/95/574656495.db2.gz TUNGSTDWABFZOT-KGLIPLIRSA-N 2 1 287.411 2.116 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000735650237 574763647 /nfs/dbraw/zinc/76/36/47/574763647.db2.gz NOIIDTHZOXYQTC-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000735650237 574763649 /nfs/dbraw/zinc/76/36/49/574763649.db2.gz NOIIDTHZOXYQTC-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000735650237 574763650 /nfs/dbraw/zinc/76/36/50/574763650.db2.gz NOIIDTHZOXYQTC-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000735663175 574764297 /nfs/dbraw/zinc/76/42/97/574764297.db2.gz YZWLGKWEBSZULD-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCCCCCCO)CC1 ZINC000744385774 575120378 /nfs/dbraw/zinc/12/03/78/575120378.db2.gz OFYMOWWTTLXJRB-UHFFFAOYSA-N 2 1 256.434 2.345 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCCCCCCO)CC1 ZINC000744385774 575120379 /nfs/dbraw/zinc/12/03/79/575120379.db2.gz OFYMOWWTTLXJRB-UHFFFAOYSA-N 2 1 256.434 2.345 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccccc2C)C1 ZINC000744424389 575120910 /nfs/dbraw/zinc/12/09/10/575120910.db2.gz VYENRYYWMOPMKR-RDJZCZTQSA-N 2 1 276.424 2.302 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2C)C1 ZINC000744424389 575120911 /nfs/dbraw/zinc/12/09/11/575120911.db2.gz VYENRYYWMOPMKR-RDJZCZTQSA-N 2 1 276.424 2.302 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2C)C1 ZINC000744424389 575120912 /nfs/dbraw/zinc/12/09/12/575120912.db2.gz VYENRYYWMOPMKR-RDJZCZTQSA-N 2 1 276.424 2.302 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC2(Cl)Cl)C1 ZINC000749198879 575208912 /nfs/dbraw/zinc/20/89/12/575208912.db2.gz SQKBWNAGEJEPAL-WDEREUQCSA-N 2 1 265.228 2.454 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC2(Cl)Cl)C1 ZINC000749198879 575208913 /nfs/dbraw/zinc/20/89/13/575208913.db2.gz SQKBWNAGEJEPAL-WDEREUQCSA-N 2 1 265.228 2.454 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000749198879 575208915 /nfs/dbraw/zinc/20/89/15/575208915.db2.gz SQKBWNAGEJEPAL-WDEREUQCSA-N 2 1 265.228 2.454 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000749198879 575208916 /nfs/dbraw/zinc/20/89/16/575208916.db2.gz SQKBWNAGEJEPAL-WDEREUQCSA-N 2 1 265.228 2.454 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(C)=C(C)C ZINC000751367319 575287036 /nfs/dbraw/zinc/28/70/36/575287036.db2.gz NFVMTCUDYOGUPY-MRXNPFEDSA-N 2 1 295.471 2.217 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](C(C)C)CC1(C)C ZINC000974573339 613891360 /nfs/dbraw/zinc/89/13/60/613891360.db2.gz CNEMXQFPGUJLIM-GJZGRUSLSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974573339 613891362 /nfs/dbraw/zinc/89/13/62/613891362.db2.gz CNEMXQFPGUJLIM-GJZGRUSLSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC000960033368 613950029 /nfs/dbraw/zinc/95/00/29/613950029.db2.gz MWYSSOZFZZQRJT-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC000960682875 614259104 /nfs/dbraw/zinc/25/91/04/614259104.db2.gz MNEGOFQBDMSKEZ-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC000960682875 614259106 /nfs/dbraw/zinc/25/91/06/614259106.db2.gz MNEGOFQBDMSKEZ-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC000960682875 614259107 /nfs/dbraw/zinc/25/91/07/614259107.db2.gz MNEGOFQBDMSKEZ-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948040301 614308880 /nfs/dbraw/zinc/30/88/80/614308880.db2.gz OOECVBRYRYZWOA-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948389307 614347892 /nfs/dbraw/zinc/34/78/92/614347892.db2.gz QSSNOTBSCHIRHG-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948389307 614347894 /nfs/dbraw/zinc/34/78/94/614347894.db2.gz QSSNOTBSCHIRHG-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948389307 614347895 /nfs/dbraw/zinc/34/78/95/614347895.db2.gz QSSNOTBSCHIRHG-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000971842989 614534455 /nfs/dbraw/zinc/53/44/55/614534455.db2.gz FFDSOMUVVHBKLB-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000971842989 614534457 /nfs/dbraw/zinc/53/44/57/614534457.db2.gz FFDSOMUVVHBKLB-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971842989 614534460 /nfs/dbraw/zinc/53/44/60/614534460.db2.gz FFDSOMUVVHBKLB-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](C(C)C)C1 ZINC000957279658 614624135 /nfs/dbraw/zinc/62/41/35/614624135.db2.gz ZIGJBHHHZUDRMU-CABCVRRESA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000960716840 614872981 /nfs/dbraw/zinc/87/29/81/614872981.db2.gz HPXCLTSMCSYZKQ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000960716840 614872983 /nfs/dbraw/zinc/87/29/83/614872983.db2.gz HPXCLTSMCSYZKQ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC000960716840 614872987 /nfs/dbraw/zinc/87/29/87/614872987.db2.gz HPXCLTSMCSYZKQ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975045518 615031986 /nfs/dbraw/zinc/03/19/86/615031986.db2.gz AUEYATTTZJODKQ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975045518 615031989 /nfs/dbraw/zinc/03/19/89/615031989.db2.gz AUEYATTTZJODKQ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975045518 615031991 /nfs/dbraw/zinc/03/19/91/615031991.db2.gz AUEYATTTZJODKQ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000981363255 615132782 /nfs/dbraw/zinc/13/27/82/615132782.db2.gz GAPIPJNUFIYDKR-UONOGXRCSA-N 2 1 292.427 2.043 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000981456562 615440159 /nfs/dbraw/zinc/44/01/59/615440159.db2.gz CUWOOPUELSZDIA-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)C[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000981456562 615440161 /nfs/dbraw/zinc/44/01/61/615440161.db2.gz CUWOOPUELSZDIA-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)C[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000981456562 615440163 /nfs/dbraw/zinc/44/01/63/615440163.db2.gz CUWOOPUELSZDIA-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CC)CC[N@H+]1C ZINC000968866331 615584959 /nfs/dbraw/zinc/58/49/59/615584959.db2.gz DWKFCSWIXJEQKA-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC)CC[NH+]1C ZINC000968866331 615584960 /nfs/dbraw/zinc/58/49/60/615584960.db2.gz DWKFCSWIXJEQKA-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC)CC[NH+]1C ZINC000968866331 615584961 /nfs/dbraw/zinc/58/49/61/615584961.db2.gz DWKFCSWIXJEQKA-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C(=O)N1CCC(C[N@@H+](CC)C(C)C)CC1)[NH+](C)C ZINC000957726589 615600380 /nfs/dbraw/zinc/60/03/80/615600380.db2.gz VHXKWCYYLUDLDA-MRXNPFEDSA-N 2 1 297.487 2.296 20 0 CEADMP CC[C@H](C)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000981456560 615653120 /nfs/dbraw/zinc/65/31/20/615653120.db2.gz CUWOOPUELSZDIA-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)C[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000981456560 615653122 /nfs/dbraw/zinc/65/31/22/615653122.db2.gz CUWOOPUELSZDIA-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)C[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000981456560 615653124 /nfs/dbraw/zinc/65/31/24/615653124.db2.gz CUWOOPUELSZDIA-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](CCC(C)(C)C)CC1 ZINC000980834294 616191361 /nfs/dbraw/zinc/19/13/61/616191361.db2.gz QZIINXZQQKIRRM-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000980834294 616191362 /nfs/dbraw/zinc/19/13/62/616191362.db2.gz QZIINXZQQKIRRM-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000980834294 616191363 /nfs/dbraw/zinc/19/13/63/616191363.db2.gz QZIINXZQQKIRRM-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCOC(=O)CC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000177059714 625424581 /nfs/dbraw/zinc/42/45/81/625424581.db2.gz HQUZDQBUOCYSHH-KGLIPLIRSA-N 2 1 270.417 2.134 20 0 CEADMP CCCCOC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177059714 625424653 /nfs/dbraw/zinc/42/46/53/625424653.db2.gz HQUZDQBUOCYSHH-KGLIPLIRSA-N 2 1 270.417 2.134 20 0 CEADMP CCCCOC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177059714 625424659 /nfs/dbraw/zinc/42/46/59/625424659.db2.gz HQUZDQBUOCYSHH-KGLIPLIRSA-N 2 1 270.417 2.134 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)[C@H]1OC ZINC000892449080 625486972 /nfs/dbraw/zinc/48/69/72/625486972.db2.gz LNHBNWYMYNEKKF-ZJIFWQFVSA-N 2 1 284.444 2.033 20 0 CEADMP Cc1cc(N)nc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000892460516 625521190 /nfs/dbraw/zinc/52/11/90/625521190.db2.gz RIJADLYBCOXLMP-CYBMUJFWSA-N 2 1 285.395 2.300 20 0 CEADMP Cc1cc(N)nc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)[nH+]1 ZINC000892460516 625521196 /nfs/dbraw/zinc/52/11/96/625521196.db2.gz RIJADLYBCOXLMP-CYBMUJFWSA-N 2 1 285.395 2.300 20 0 CEADMP CCC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310560388 625598418 /nfs/dbraw/zinc/59/84/18/625598418.db2.gz JPLVZVFOWDTELW-HUUCEWRRSA-N 2 1 254.418 2.098 20 0 CEADMP CCC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310560388 625598424 /nfs/dbraw/zinc/59/84/24/625598424.db2.gz JPLVZVFOWDTELW-HUUCEWRRSA-N 2 1 254.418 2.098 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000050248738 623374803 /nfs/dbraw/zinc/37/48/03/623374803.db2.gz ACQUAQSGEGYFHU-LLVKDONJSA-N 2 1 286.322 2.077 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000050248738 623374810 /nfs/dbraw/zinc/37/48/10/623374810.db2.gz ACQUAQSGEGYFHU-LLVKDONJSA-N 2 1 286.322 2.077 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000261778356 623458390 /nfs/dbraw/zinc/45/83/90/623458390.db2.gz MUJOVPMDEZMCAY-KRWDZBQOSA-N 2 1 298.390 2.440 20 0 CEADMP CC(C)CCCC[N@@H+](CCO)C1CCN(C)CC1 ZINC000891400937 623595719 /nfs/dbraw/zinc/59/57/19/623595719.db2.gz DMVPTNCPLGCIFE-UHFFFAOYSA-N 2 1 256.434 2.201 20 0 CEADMP COC1CCC(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000891671551 623883117 /nfs/dbraw/zinc/88/31/17/623883117.db2.gz PPYYGOJWPLBOSD-PCKAHOCUSA-N 2 1 268.445 2.465 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(NC[C@H]3CC[N@@H+](C4CC4)C3)c12 ZINC000891780701 623964839 /nfs/dbraw/zinc/96/48/39/623964839.db2.gz BEAHSCIYTFAAHQ-LLVKDONJSA-N 2 1 285.395 2.368 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(NC[C@H]3CC[N@H+](C4CC4)C3)c12 ZINC000891780701 623964844 /nfs/dbraw/zinc/96/48/44/623964844.db2.gz BEAHSCIYTFAAHQ-LLVKDONJSA-N 2 1 285.395 2.368 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCc3ccc(O)cc3CC2)CC1 ZINC000891846699 624019249 /nfs/dbraw/zinc/01/92/49/624019249.db2.gz HOVIVWGTKYEBBM-UHFFFAOYSA-N 2 1 274.408 2.135 20 0 CEADMP OC[C@@H]1CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000934018135 624167218 /nfs/dbraw/zinc/16/72/18/624167218.db2.gz JNTASTIPVAYZFS-KRWDZBQOSA-N 2 1 274.408 2.239 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCC3(CC2)OCCO3)CC[N@@H+]1C ZINC000190204417 624549212 /nfs/dbraw/zinc/54/92/12/624549212.db2.gz ODPRDTCKMXDXBC-ZBFHGGJFSA-N 2 1 296.455 2.334 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CC2CCC3(CC2)OCCO3)CC[N@H+]1C ZINC000190204417 624549216 /nfs/dbraw/zinc/54/92/16/624549216.db2.gz ODPRDTCKMXDXBC-ZBFHGGJFSA-N 2 1 296.455 2.334 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CCC3(CC2)OCCO3)CC[NH+]1C ZINC000190204417 624549221 /nfs/dbraw/zinc/54/92/21/624549221.db2.gz ODPRDTCKMXDXBC-ZBFHGGJFSA-N 2 1 296.455 2.334 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CCC3(CC2)OCCO3)CC[NH+]1C ZINC000190204417 624549223 /nfs/dbraw/zinc/54/92/23/624549223.db2.gz ODPRDTCKMXDXBC-ZBFHGGJFSA-N 2 1 296.455 2.334 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)c1ccnn1C1CCC1)C[NH+](C)C ZINC000926468303 624831836 /nfs/dbraw/zinc/83/18/36/624831836.db2.gz AXAYJSMVUOUHEV-STQMWFEESA-N 2 1 264.417 2.456 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)OC ZINC000926502276 624946812 /nfs/dbraw/zinc/94/68/12/624946812.db2.gz DXJXMMUEQAWVQZ-MKXAEBJUSA-N 2 1 298.471 2.279 20 0 CEADMP CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001023445999 625015986 /nfs/dbraw/zinc/01/59/86/625015986.db2.gz GXXVJPOBNYNHMW-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001023445999 625015988 /nfs/dbraw/zinc/01/59/88/625015988.db2.gz GXXVJPOBNYNHMW-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001023445999 625015990 /nfs/dbraw/zinc/01/59/90/625015990.db2.gz GXXVJPOBNYNHMW-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@H]1C(C)C ZINC000737995709 625030122 /nfs/dbraw/zinc/03/01/22/625030122.db2.gz RIQCNQGXWOEGFX-INIZCTEOSA-N 2 1 297.487 2.297 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@H]1C(C)C ZINC000737995709 625030128 /nfs/dbraw/zinc/03/01/28/625030128.db2.gz RIQCNQGXWOEGFX-INIZCTEOSA-N 2 1 297.487 2.297 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000737995709 625030131 /nfs/dbraw/zinc/03/01/31/625030131.db2.gz RIQCNQGXWOEGFX-INIZCTEOSA-N 2 1 297.487 2.297 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000737995709 625030140 /nfs/dbraw/zinc/03/01/40/625030140.db2.gz RIQCNQGXWOEGFX-INIZCTEOSA-N 2 1 297.487 2.297 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 ZINC000782191628 625052757 /nfs/dbraw/zinc/05/27/57/625052757.db2.gz XXUXENFAUAXHEH-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(F)cc1C ZINC000892510814 625743798 /nfs/dbraw/zinc/74/37/98/625743798.db2.gz VIENSBMCJWCDOK-LLVKDONJSA-N 2 1 276.359 2.460 20 0 CEADMP CNc1ccccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000902065032 634460343 /nfs/dbraw/zinc/46/03/43/634460343.db2.gz YIYZXCPNLMERKU-CYBMUJFWSA-N 2 1 259.397 2.302 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CCCO)CC1 ZINC000924571789 625930050 /nfs/dbraw/zinc/93/00/50/625930050.db2.gz WFOPBYAWBYZAFD-HOCLYGCPSA-N 2 1 268.445 2.392 20 0 CEADMP CNc1ccccc1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000902227707 634533587 /nfs/dbraw/zinc/53/35/87/634533587.db2.gz ZJAWPRLKFFGEFY-MRXNPFEDSA-N 2 1 291.439 2.055 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000892589213 627294399 /nfs/dbraw/zinc/29/43/99/627294399.db2.gz MRJPKHZALOOLLK-XHSDSOJGSA-N 2 1 298.471 2.486 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC)C1 ZINC001025056218 627295612 /nfs/dbraw/zinc/29/56/12/627295612.db2.gz DQZXJMGVHMOVDN-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]CC2CCC(OC)CC2)C1 ZINC000892614803 627312778 /nfs/dbraw/zinc/31/27/78/627312778.db2.gz UYXXFNFANMOCBA-SHARSMKWSA-N 2 1 254.418 2.123 20 0 CEADMP CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001007457504 627370756 /nfs/dbraw/zinc/37/07/56/627370756.db2.gz OWQGMGPWVMFIKB-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001007457504 627370760 /nfs/dbraw/zinc/37/07/60/627370760.db2.gz OWQGMGPWVMFIKB-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001007457504 627370763 /nfs/dbraw/zinc/37/07/63/627370763.db2.gz OWQGMGPWVMFIKB-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP Clc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000166847701 627647854 /nfs/dbraw/zinc/64/78/54/627647854.db2.gz VDLMFXTWKKGDFJ-UONOGXRCSA-N 2 1 279.815 2.494 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000168929322 627689720 /nfs/dbraw/zinc/68/97/20/627689720.db2.gz NLPYRPKLLJMTSO-XHSDSOJGSA-N 2 1 295.471 2.275 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000892746337 627748266 /nfs/dbraw/zinc/74/82/66/627748266.db2.gz YCBQHTVNGAQQHO-GFCCVEGCSA-N 2 1 278.425 2.217 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000892746337 627748270 /nfs/dbraw/zinc/74/82/70/627748270.db2.gz YCBQHTVNGAQQHO-GFCCVEGCSA-N 2 1 278.425 2.217 20 0 CEADMP COC1CCC(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000892946668 627879047 /nfs/dbraw/zinc/87/90/47/627879047.db2.gz KAYZYOMUGLKACA-SLTAFYQDSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1noc(C)c1C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893006559 627941363 /nfs/dbraw/zinc/94/13/63/627941363.db2.gz COCWJOPWDXNBCQ-KQMXJJGSSA-N 2 1 277.412 2.437 20 0 CEADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC1([NH3+])CC1 ZINC000902405616 634620793 /nfs/dbraw/zinc/62/07/93/634620793.db2.gz JJEGKQFWJNUSOQ-SNVBAGLBSA-N 2 1 254.324 2.367 20 0 CEADMP C[C@@H]([NH3+])[C@@H](NC[C@@H](C)C[C@H](C)O)c1ccccc1 ZINC000925511081 628041174 /nfs/dbraw/zinc/04/11/74/628041174.db2.gz FUODXGXOWAQMLM-RMRHIDDWSA-N 2 1 250.386 2.072 20 0 CEADMP C1CC1N1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925512718 628046819 /nfs/dbraw/zinc/04/68/19/628046819.db2.gz BJIQTDVYUZXRAL-QZTJIDSGSA-N 2 1 291.483 2.371 20 0 CEADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1([NH3+])CC1 ZINC000902412798 634631721 /nfs/dbraw/zinc/63/17/21/634631721.db2.gz FIDOCDMIUDEHFZ-CYBMUJFWSA-N 2 1 278.396 2.106 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000925558945 628224695 /nfs/dbraw/zinc/22/46/95/628224695.db2.gz UGEKMQVVGDEPFR-CMPLNLGQSA-N 2 1 253.777 2.008 20 0 CEADMP CC(C)([NH3+])CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310021440 628255447 /nfs/dbraw/zinc/25/54/47/628255447.db2.gz RUJDNXCTZCNZGB-DLBZAZTESA-N 2 1 287.451 2.178 20 0 CEADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925617164 628303829 /nfs/dbraw/zinc/30/38/29/628303829.db2.gz VPHLYOYEQVOTRP-LPWJVIDDSA-N 2 1 268.426 2.290 20 0 CEADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925618304 628306728 /nfs/dbraw/zinc/30/67/28/628306728.db2.gz ZCQDISOJZXGLCF-DYEKYZERSA-N 2 1 280.437 2.434 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1cnc(F)c(C)c1 ZINC000893322715 628317340 /nfs/dbraw/zinc/31/73/40/628317340.db2.gz VNOCLPNAIGWANP-UHFFFAOYSA-N 2 1 253.365 2.351 20 0 CEADMP Cc1cc(Cl)nc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925659594 628371225 /nfs/dbraw/zinc/37/12/25/628371225.db2.gz FBEIGGDXKUNOBF-NEPJUHHUSA-N 2 1 265.788 2.403 20 0 CEADMP c1ccc2c(c1)OC[C@H]2C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925667208 628385008 /nfs/dbraw/zinc/38/50/08/628385008.db2.gz APHZXRNYUCFEPJ-DOMZBBRYSA-N 2 1 258.365 2.037 20 0 CEADMP COc1cccc(C2(CN[C@H]3CCC[NH2+][C@@H]3C)CC2)c1 ZINC000925667338 628387434 /nfs/dbraw/zinc/38/74/34/628387434.db2.gz BUXHYGYIBFHTCR-CJNGLKHVSA-N 2 1 274.408 2.457 20 0 CEADMP COc1cccc(C2(C[NH2+][C@H]3CCC[NH2+][C@@H]3C)CC2)c1 ZINC000925667338 628387436 /nfs/dbraw/zinc/38/74/36/628387436.db2.gz BUXHYGYIBFHTCR-CJNGLKHVSA-N 2 1 274.408 2.457 20 0 CEADMP COc1cccnc1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925688112 628497404 /nfs/dbraw/zinc/49/74/04/628497404.db2.gz BQGDHAITSYQYBC-VXGBXAGGSA-N 2 1 263.385 2.086 20 0 CEADMP CC1(C)[C@H](NCc2ccc(CC[NH3+])cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925689521 628500613 /nfs/dbraw/zinc/50/06/13/628500613.db2.gz BACYDZOLQDDIMT-IXDOHACOSA-N 2 1 287.451 2.054 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000308341188 628509234 /nfs/dbraw/zinc/50/92/34/628509234.db2.gz INXDUQNXTWOPJP-AEGPPILISA-N 2 1 264.413 2.018 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1 ZINC000925697915 628534811 /nfs/dbraw/zinc/53/48/11/628534811.db2.gz PRGYSPZIWCYIGR-RHBQXOTJSA-N 2 1 262.397 2.478 20 0 CEADMP COc1c(C)cccc1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925701785 628540651 /nfs/dbraw/zinc/54/06/51/628540651.db2.gz FMYSLJZNGRDOHY-KGLIPLIRSA-N 2 1 260.381 2.363 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cn2c(n1)CCCC2 ZINC000925702814 628542377 /nfs/dbraw/zinc/54/23/77/628542377.db2.gz AASWYEAZUCNKNI-CYBMUJFWSA-N 2 1 274.412 2.132 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cn2c(n1)CCCC2 ZINC000925702814 628542380 /nfs/dbraw/zinc/54/23/80/628542380.db2.gz AASWYEAZUCNKNI-CYBMUJFWSA-N 2 1 274.412 2.132 20 0 CEADMP [NH3+][C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)C12CCC2 ZINC000925704204 628547741 /nfs/dbraw/zinc/54/77/41/628547741.db2.gz CJTNJGLXEJMPDK-FVQBIDKESA-N 2 1 277.456 2.253 20 0 CEADMP [NH3+]CCC[C@H](NCC1([NH3+])CCCC1)c1ccccc1 ZINC000925713506 628565680 /nfs/dbraw/zinc/56/56/80/628565680.db2.gz WDJJYCJKSKBWJE-HNNXBMFYSA-N 2 1 261.413 2.328 20 0 CEADMP CCOC[C@H]1CCCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000313214348 628583927 /nfs/dbraw/zinc/58/39/27/628583927.db2.gz OINGKVXOPFPPEW-HUUCEWRRSA-N 2 1 254.418 2.267 20 0 CEADMP CC1(C)C[C@]1(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000925732493 628686279 /nfs/dbraw/zinc/68/62/79/628686279.db2.gz BYIYZDXAQGCMQK-IXYNUQLISA-N 2 1 266.429 2.169 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC[C@H]21 ZINC000931547883 628690492 /nfs/dbraw/zinc/69/04/92/628690492.db2.gz UWCPGVIXBGXMPH-RKQHYHRCSA-N 2 1 270.367 2.304 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC[C@H]21 ZINC000931547883 628690495 /nfs/dbraw/zinc/69/04/95/628690495.db2.gz UWCPGVIXBGXMPH-RKQHYHRCSA-N 2 1 270.367 2.304 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC[C@H]21 ZINC000931547883 628690497 /nfs/dbraw/zinc/69/04/97/628690497.db2.gz UWCPGVIXBGXMPH-RKQHYHRCSA-N 2 1 270.367 2.304 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC[C@H]21 ZINC000931547883 628690500 /nfs/dbraw/zinc/69/05/00/628690500.db2.gz UWCPGVIXBGXMPH-RKQHYHRCSA-N 2 1 270.367 2.304 20 0 CEADMP CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000248632497 628718414 /nfs/dbraw/zinc/71/84/14/628718414.db2.gz IONDCQSBWJQBSG-CVEARBPZSA-N 2 1 294.439 2.138 20 0 CEADMP CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000248632497 628718415 /nfs/dbraw/zinc/71/84/15/628718415.db2.gz IONDCQSBWJQBSG-CVEARBPZSA-N 2 1 294.439 2.138 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469589 634686766 /nfs/dbraw/zinc/68/67/66/634686766.db2.gz YBISOMJAZHGNPJ-RSRPTUBKSA-N 2 1 299.462 2.380 20 0 CEADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902471283 634687327 /nfs/dbraw/zinc/68/73/27/634687327.db2.gz LZNSEXUAZDQSPH-MQLXINIDSA-N 2 1 252.402 2.063 20 0 CEADMP C[C@H]([NH2+]CCc1ccnn1-c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000925805929 628856473 /nfs/dbraw/zinc/85/64/73/628856473.db2.gz XARCKLCKFLEINT-WMLDXEAASA-N 2 1 284.407 2.145 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cnn(C2CCC2)c1 ZINC000925811090 628862676 /nfs/dbraw/zinc/86/26/76/628862676.db2.gz CBXAEHLZRDQKRU-GXTWGEPZSA-N 2 1 285.395 2.470 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1OC ZINC000902465875 634684203 /nfs/dbraw/zinc/68/42/03/634684203.db2.gz GLWAMXIASZDSPN-SPWCGHHHSA-N 2 1 290.407 2.117 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccnn1C1CCC1 ZINC000925814773 628870420 /nfs/dbraw/zinc/87/04/20/628870420.db2.gz PSIWJFSIZIVDAI-OLZOCXBDSA-N 2 1 285.395 2.470 20 0 CEADMP c1cn2c([nH+]1)CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)S3)C2 ZINC000925815092 628870442 /nfs/dbraw/zinc/87/04/42/628870442.db2.gz SYQARUJGPKUCPN-WODVXLOZSA-N 2 1 263.410 2.214 20 0 CEADMP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925826564 628913197 /nfs/dbraw/zinc/91/31/97/628913197.db2.gz IBWFQZGCFISKBI-MIGQKNRLSA-N 2 1 260.381 2.104 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000261527702 628921606 /nfs/dbraw/zinc/92/16/06/628921606.db2.gz GDWZKUZEAWDONN-IUCAKERBSA-N 2 1 257.175 2.274 20 0 CEADMP C(Cc1nc2c(s1)CCC2)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925829645 628922225 /nfs/dbraw/zinc/92/22/25/628922225.db2.gz FQMOBYVIGLBNQB-ZDUSSCGKSA-N 2 1 277.437 2.049 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1OC ZINC000261559611 628939120 /nfs/dbraw/zinc/93/91/20/628939120.db2.gz DUKVBQXIIQOHDI-JTQLQIEISA-N 2 1 252.358 2.092 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261576533 628941021 /nfs/dbraw/zinc/94/10/21/628941021.db2.gz CFRORFGIBOUQLM-GOEBONIOSA-N 2 1 260.381 2.269 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261576533 628941022 /nfs/dbraw/zinc/94/10/22/628941022.db2.gz CFRORFGIBOUQLM-GOEBONIOSA-N 2 1 260.381 2.269 20 0 CEADMP CC[C@H]([NH2+]CCNc1ccc(C)cn1)[C@@H]1CCCC[NH2+]1 ZINC000925877061 628976640 /nfs/dbraw/zinc/97/66/40/628976640.db2.gz DUXVPTAUULHMHJ-GJZGRUSLSA-N 2 1 276.428 2.312 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000925879424 628979200 /nfs/dbraw/zinc/97/92/00/628979200.db2.gz DMEZZAVIESHQDP-SVGFKBNWSA-N 3 1 273.424 2.197 20 0 CEADMP CC(C)c1c[nH]c(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000893940173 629055250 /nfs/dbraw/zinc/05/52/50/629055250.db2.gz KNGAZLZCIBLASE-UHFFFAOYSA-N 2 1 264.417 2.307 20 0 CEADMP CC(C)c1c[nH]c(C[N@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000894002986 629083688 /nfs/dbraw/zinc/08/36/88/629083688.db2.gz ZPAHXBDGKALGHI-UHFFFAOYSA-N 2 1 264.417 2.307 20 0 CEADMP CC(C)c1c[nH]c(C[N@@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000894002986 629083691 /nfs/dbraw/zinc/08/36/91/629083691.db2.gz ZPAHXBDGKALGHI-UHFFFAOYSA-N 2 1 264.417 2.307 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1 ZINC000924874505 629148153 /nfs/dbraw/zinc/14/81/53/629148153.db2.gz SMBWMESXORKSKT-ZDUSSCGKSA-N 2 1 296.378 2.123 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000924875016 629149808 /nfs/dbraw/zinc/14/98/08/629149808.db2.gz YIBNFIBJXYNKKJ-GFCCVEGCSA-N 2 1 273.384 2.464 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)C(C)C ZINC000924908022 629243043 /nfs/dbraw/zinc/24/30/43/629243043.db2.gz FLKAEELLVWEZAS-IAGOWNOFSA-N 2 1 292.471 2.451 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1)C(C)C ZINC000924908022 629243049 /nfs/dbraw/zinc/24/30/49/629243049.db2.gz FLKAEELLVWEZAS-IAGOWNOFSA-N 2 1 292.471 2.451 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000924916936 629252662 /nfs/dbraw/zinc/25/26/62/629252662.db2.gz NNIALMCOMZXUKR-HRCADAONSA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924916936 629252664 /nfs/dbraw/zinc/25/26/64/629252664.db2.gz NNIALMCOMZXUKR-HRCADAONSA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924916936 629252665 /nfs/dbraw/zinc/25/26/65/629252665.db2.gz NNIALMCOMZXUKR-HRCADAONSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261816132 629255375 /nfs/dbraw/zinc/25/53/75/629255375.db2.gz STFVDRZAXIIPCP-CZUORRHYSA-N 2 1 293.842 2.381 20 0 CEADMP C[C@@H]1CC[C@@H](C)C1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000924956904 629294296 /nfs/dbraw/zinc/29/42/96/629294296.db2.gz BXLBJNFJIJMKSL-HUUCEWRRSA-N 2 1 281.488 2.284 20 0 CEADMP COc1ccccc1OCC[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261901709 629309454 /nfs/dbraw/zinc/30/94/54/629309454.db2.gz WDIHRKUODRSJHY-MRXNPFEDSA-N 2 1 278.396 2.005 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261901709 629309458 /nfs/dbraw/zinc/30/94/58/629309458.db2.gz WDIHRKUODRSJHY-MRXNPFEDSA-N 2 1 278.396 2.005 20 0 CEADMP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000924993706 629331208 /nfs/dbraw/zinc/33/12/08/629331208.db2.gz QMUGQXDCSVHKPC-HIFRSBDPSA-N 2 1 296.480 2.242 20 0 CEADMP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000924993708 629331430 /nfs/dbraw/zinc/33/14/30/629331430.db2.gz QMUGQXDCSVHKPC-UKRRQHHQSA-N 2 1 296.480 2.242 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCC3(C1)CC[NH2+]CC3)OCCO2 ZINC000261930259 629339427 /nfs/dbraw/zinc/33/94/27/629339427.db2.gz CSUYCPHNYADRSL-UHFFFAOYSA-N 2 1 288.391 2.033 20 0 CEADMP Cc1noc(C)c1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000925022247 629368400 /nfs/dbraw/zinc/36/84/00/629368400.db2.gz FCMUCJQTCVSCCQ-WFASDCNBSA-N 2 1 295.427 2.179 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000925023098 629369775 /nfs/dbraw/zinc/36/97/75/629369775.db2.gz KSXRSWWXVJJEJF-XUWVNRHRSA-N 2 1 268.445 2.248 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000262017291 629441413 /nfs/dbraw/zinc/44/14/13/629441413.db2.gz VTQMFRXIFQAGDH-OAHLLOKOSA-N 2 1 260.381 2.256 20 0 CEADMP CC(C)[C@H](CO)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000894723538 629613301 /nfs/dbraw/zinc/61/33/01/629613301.db2.gz IEZSEXRYMJDHJQ-QHEDDYRISA-N 2 1 282.472 2.490 20 0 CEADMP Cc1n[nH]c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1C ZINC000894780199 629637634 /nfs/dbraw/zinc/63/76/34/629637634.db2.gz ZLIXFJUIQHMKKB-HNNXBMFYSA-N 2 1 276.428 2.190 20 0 CEADMP CCO[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894783358 629639781 /nfs/dbraw/zinc/63/97/81/629639781.db2.gz XDNBLCXFGRXMSQ-ARQSVGKCSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cn2ccnc2s1)C1CC1 ZINC000894807756 629652635 /nfs/dbraw/zinc/65/26/35/629652635.db2.gz WXCAUESUDYKWCO-UHFFFAOYSA-N 2 1 278.425 2.360 20 0 CEADMP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1(C)CC1 ZINC000796283659 629822627 /nfs/dbraw/zinc/82/26/27/629822627.db2.gz UIKIQNPQQPGXLD-SNVBAGLBSA-N 2 1 253.415 2.483 20 0 CEADMP C[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000796280498 629832383 /nfs/dbraw/zinc/83/23/83/629832383.db2.gz NNULLXAEJQVJKQ-JTQLQIEISA-N 2 1 253.415 2.340 20 0 CEADMP CSCC[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796308370 629840718 /nfs/dbraw/zinc/84/07/18/629840718.db2.gz BLKQGBBYXMYBGA-SNVBAGLBSA-N 2 1 273.471 2.436 20 0 CEADMP C[C@@H](C[NH2+]C[C@@H]([NH3+])CC(F)F)Cc1cccs1 ZINC000903925994 635352209 /nfs/dbraw/zinc/35/22/09/635352209.db2.gz QNIVGAFRANAKFN-ZJUUUORDSA-N 2 1 262.369 2.499 20 0 CEADMP CCn1cc(C[N@@H+](CC2CC[NH+](C)CC2)C(C)C)cn1 ZINC000895162669 629982956 /nfs/dbraw/zinc/98/29/56/629982956.db2.gz YFJMWILTRVVQQI-UHFFFAOYSA-N 2 1 278.444 2.455 20 0 CEADMP Cc1ncc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000796840042 630031247 /nfs/dbraw/zinc/03/12/47/630031247.db2.gz VHJNUDQPWAGQCX-RRFJBIMHSA-N 2 1 279.453 2.456 20 0 CEADMP C[C@@H](CC[NH2+]Cc1ccc(C(F)F)nc1)[NH+](C)C ZINC000895290873 630079801 /nfs/dbraw/zinc/07/98/01/630079801.db2.gz VFKOBVNKNUCGCW-JTQLQIEISA-N 2 1 257.328 2.449 20 0 CEADMP COc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc(OC)c1OC ZINC000895298927 630087748 /nfs/dbraw/zinc/08/77/48/630087748.db2.gz BFTQELQNGISERA-GFCCVEGCSA-N 2 1 296.411 2.142 20 0 CEADMP C[C@H](CCN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000895296320 630088056 /nfs/dbraw/zinc/08/80/56/630088056.db2.gz GCEWIMMGQFPZAW-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CC[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000895296320 630088062 /nfs/dbraw/zinc/08/80/62/630088062.db2.gz GCEWIMMGQFPZAW-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2F)[C@@H]2CCC[C@H]21 ZINC000796979149 630090715 /nfs/dbraw/zinc/09/07/15/630090715.db2.gz CDUCUAJKCKZWPJ-MELADBBJSA-N 2 1 263.360 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2F)[C@@H]2CCC[C@H]21 ZINC000796979149 630090725 /nfs/dbraw/zinc/09/07/25/630090725.db2.gz CDUCUAJKCKZWPJ-MELADBBJSA-N 2 1 263.360 2.183 20 0 CEADMP CC(C)[NH+]1CCC(CC[NH2+]Cc2c[nH]cn2)CC1 ZINC000895447225 630195559 /nfs/dbraw/zinc/19/55/59/630195559.db2.gz WJKJSPLVNPEINY-UHFFFAOYSA-N 2 1 250.390 2.010 20 0 CEADMP COC1CCC(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000895472751 630210195 /nfs/dbraw/zinc/21/01/95/630210195.db2.gz KSMSBPXGWKECRP-JCYILVPMSA-N 2 1 298.471 2.234 20 0 CEADMP C[NH+]1CCC(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CC1 ZINC000895472222 630215551 /nfs/dbraw/zinc/21/55/51/630215551.db2.gz FWZDETWFQYEIHH-CALCHBBNSA-N 2 1 278.440 2.221 20 0 CEADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000895509923 630228241 /nfs/dbraw/zinc/22/82/41/630228241.db2.gz YCAYPQIYTUEUNI-WBVHZDCISA-N 2 1 281.488 2.380 20 0 CEADMP C[C@H](CN(C)C)[C@@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000895509923 630228242 /nfs/dbraw/zinc/22/82/42/630228242.db2.gz YCAYPQIYTUEUNI-WBVHZDCISA-N 2 1 281.488 2.380 20 0 CEADMP C[C@H](CN(C)C)[C@@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000895509923 630228243 /nfs/dbraw/zinc/22/82/43/630228243.db2.gz YCAYPQIYTUEUNI-WBVHZDCISA-N 2 1 281.488 2.380 20 0 CEADMP Nc1cc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c(Cl)c[nH+]1 ZINC000895565230 630257561 /nfs/dbraw/zinc/25/75/61/630257561.db2.gz PPNAWAIATHPABX-PWSUYJOCSA-N 2 1 298.843 2.309 20 0 CEADMP Nc1cc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c(Cl)c[nH+]1 ZINC000895565230 630257562 /nfs/dbraw/zinc/25/75/62/630257562.db2.gz PPNAWAIATHPABX-PWSUYJOCSA-N 2 1 298.843 2.309 20 0 CEADMP CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896679496 630636576 /nfs/dbraw/zinc/63/65/76/630636576.db2.gz KJGPYLJQMRSTCW-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCCCCCO)C2)CC1 ZINC000799176881 630991414 /nfs/dbraw/zinc/99/14/14/630991414.db2.gz DVUHEGMCHBEWHS-UHFFFAOYSA-N 2 1 268.445 2.347 20 0 CEADMP Cc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(C)o1 ZINC000799345869 631018001 /nfs/dbraw/zinc/01/80/01/631018001.db2.gz RIRMEUQJIKUGGH-UHFFFAOYSA-N 2 1 279.428 2.012 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+](CCO)C1CCCC1 ZINC000904301206 635554125 /nfs/dbraw/zinc/55/41/25/635554125.db2.gz BATHBAAPSFHBJF-CYBMUJFWSA-N 2 1 256.434 2.377 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)C1 ZINC000904340092 635578854 /nfs/dbraw/zinc/57/88/54/635578854.db2.gz CNKSDRSHGFULJX-DUVNUKRYSA-N 2 1 290.382 2.458 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@H](OCC3CC3)C2)CCC[NH2+]C1 ZINC000904340760 635579204 /nfs/dbraw/zinc/57/92/04/635579204.db2.gz CIHMEBWBXDKIOF-HOTGVXAUSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)[N@@H+](C)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC000985485899 631104152 /nfs/dbraw/zinc/10/41/52/631104152.db2.gz WDAXXIHAAUMQBA-OAHLLOKOSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000985485899 631104155 /nfs/dbraw/zinc/10/41/55/631104155.db2.gz WDAXXIHAAUMQBA-OAHLLOKOSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000985485899 631104157 /nfs/dbraw/zinc/10/41/57/631104157.db2.gz WDAXXIHAAUMQBA-OAHLLOKOSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000925204019 631173146 /nfs/dbraw/zinc/17/31/46/631173146.db2.gz JFTSNADAMTYVSI-IAGOWNOFSA-N 2 1 292.471 2.453 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000925204019 631173148 /nfs/dbraw/zinc/17/31/48/631173148.db2.gz JFTSNADAMTYVSI-IAGOWNOFSA-N 2 1 292.471 2.453 20 0 CEADMP CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000985751426 631179849 /nfs/dbraw/zinc/17/98/49/631179849.db2.gz LRIURAXPLSZHLQ-GDBMZVCRSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CCC[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000801722096 631310766 /nfs/dbraw/zinc/31/07/66/631310766.db2.gz BPMWTFCHOUUTOP-UHFFFAOYSA-N 2 1 255.450 2.040 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCOC(=O)C1CC[NH+](C2CC2)CC1 ZINC000801875610 631346431 /nfs/dbraw/zinc/34/64/31/631346431.db2.gz QYMWGBYOSRNFNP-OAHLLOKOSA-N 2 1 294.439 2.278 20 0 CEADMP c1ccc2c(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)ccnc2c1 ZINC000904420836 635632693 /nfs/dbraw/zinc/63/26/93/635632693.db2.gz HYAXBVHFYYHNQL-DZGCQCFKSA-N 2 1 267.376 2.276 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C3(O)CCC3)CC2)[C@H](C)C1 ZINC000897528645 631665635 /nfs/dbraw/zinc/66/56/35/631665635.db2.gz NIYFLJACHILIQI-ZIAGYGMSSA-N 2 1 266.429 2.002 20 0 CEADMP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897535542 631687411 /nfs/dbraw/zinc/68/74/11/631687411.db2.gz AGAYUINMAMKSOT-LVQVYYBASA-N 2 1 266.429 2.144 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCOc4ccccc43)C[C@]2(C)C1 ZINC000897621838 631828043 /nfs/dbraw/zinc/82/80/43/631828043.db2.gz WCIOVCGZXWWRHI-DAYGRLMNSA-N 2 1 286.419 2.436 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCOc4ccccc43)C[C@]2(C)C1 ZINC000897621838 631828044 /nfs/dbraw/zinc/82/80/44/631828044.db2.gz WCIOVCGZXWWRHI-DAYGRLMNSA-N 2 1 286.419 2.436 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCOc4ccccc43)C[C@]2(C)C1 ZINC000897621838 631828049 /nfs/dbraw/zinc/82/80/49/631828049.db2.gz WCIOVCGZXWWRHI-DAYGRLMNSA-N 2 1 286.419 2.436 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000897806432 631924045 /nfs/dbraw/zinc/92/40/45/631924045.db2.gz UNGMURWTENZBIL-KBPBESRZSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897806432 631924047 /nfs/dbraw/zinc/92/40/47/631924047.db2.gz UNGMURWTENZBIL-KBPBESRZSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897806432 631924049 /nfs/dbraw/zinc/92/40/49/631924049.db2.gz UNGMURWTENZBIL-KBPBESRZSA-N 2 1 283.460 2.096 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CCO)cc2)CC1(C)C ZINC000898169799 632079619 /nfs/dbraw/zinc/07/96/19/632079619.db2.gz OTULYTHCLNQHJC-INIZCTEOSA-N 2 1 276.424 2.184 20 0 CEADMP C[C@@H](O)c1ncc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)s1 ZINC000809606805 632109807 /nfs/dbraw/zinc/10/98/07/632109807.db2.gz FKAPHDUHOMYYMQ-NWDGAFQWSA-N 2 1 283.441 2.018 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000898310539 632167234 /nfs/dbraw/zinc/16/72/34/632167234.db2.gz XBFSPFZZJNTZDM-UHFFFAOYSA-N 2 1 292.423 2.477 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000898310539 632167235 /nfs/dbraw/zinc/16/72/35/632167235.db2.gz XBFSPFZZJNTZDM-UHFFFAOYSA-N 2 1 292.423 2.477 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989740669 632235237 /nfs/dbraw/zinc/23/52/37/632235237.db2.gz GDWUSOHGECKTRP-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)C[NH+](C)C ZINC000926964632 632394765 /nfs/dbraw/zinc/39/47/65/632394765.db2.gz YCXGDHZRLAAUME-HZSPNIEDSA-N 2 1 256.434 2.367 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cc(CO)on1 ZINC000924688210 632420057 /nfs/dbraw/zinc/42/00/57/632420057.db2.gz RQGHYBRKPLDHEH-UONOGXRCSA-N 2 1 295.427 2.330 20 0 CEADMP CCc1noc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+](CC)CC3)C2)n1 ZINC000927049424 632436152 /nfs/dbraw/zinc/43/61/52/632436152.db2.gz QBQQHRRKKUCQRV-TZMCWYRMSA-N 2 1 292.427 2.342 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)C1CC1 ZINC000924716234 632458350 /nfs/dbraw/zinc/45/83/50/632458350.db2.gz ITAIPTSIHSTNDK-XHSDSOJGSA-N 2 1 266.429 2.121 20 0 CEADMP C[NH2+][C@@H](C)Cc1noc([C@H]([NH3+])C2CCCCCC2)n1 ZINC000900008583 633172521 /nfs/dbraw/zinc/17/25/21/633172521.db2.gz MHMCNAOVVMYETE-GXFFZTMASA-N 2 1 266.389 2.190 20 0 CEADMP Cn1ncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1Cl ZINC000816486196 633399043 /nfs/dbraw/zinc/39/90/43/633399043.db2.gz SQQNDGHQJQFTAO-UHFFFAOYSA-N 2 1 296.846 2.381 20 0 CEADMP CC[C@@H]([NH2+]CCSC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000817888929 633751765 /nfs/dbraw/zinc/75/17/65/633751765.db2.gz LTVSFLDACQZBQB-BDAKNGLRSA-N 2 1 256.337 2.360 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000817888065 633751788 /nfs/dbraw/zinc/75/17/88/633751788.db2.gz ACRDRRCVZKYLTM-FRRDWIJNSA-N 2 1 288.313 2.208 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1cccnc1 ZINC000817891553 633754056 /nfs/dbraw/zinc/75/40/56/633754056.db2.gz CSUWRBHBLUWZAF-RHSMWYFYSA-N 2 1 285.391 2.009 20 0 CEADMP Cc1noc(C)c1CCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000817899865 633760603 /nfs/dbraw/zinc/76/06/03/633760603.db2.gz QOSYIKPFEMZQSE-SWLSCSKDSA-N 2 1 265.401 2.344 20 0 CEADMP Cc1[nH+]ccn1CCn1cc(C[NH+](C(C)C)C(C)C)nn1 ZINC000900539177 633761712 /nfs/dbraw/zinc/76/17/12/633761712.db2.gz WKHJXWDXXCKQRV-UHFFFAOYSA-N 2 1 290.415 2.102 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000817916477 633775136 /nfs/dbraw/zinc/77/51/36/633775136.db2.gz FHNXPUBDWOJFKU-VNQPRFMTSA-N 2 1 274.408 2.088 20 0 CEADMP C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000817924064 633780887 /nfs/dbraw/zinc/78/08/87/633780887.db2.gz LVGLAYOXFPLFJB-NUEKZKHPSA-N 2 1 262.397 2.014 20 0 CEADMP C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000817928367 633784015 /nfs/dbraw/zinc/78/40/15/633784015.db2.gz WCQRBZYAYOYOQA-XIRDDKMYSA-N 2 1 276.424 2.100 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000817960081 633803410 /nfs/dbraw/zinc/80/34/10/633803410.db2.gz WXOLKHGXLUBXMI-DOMZBBRYSA-N 2 1 291.395 2.277 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817966453 633808395 /nfs/dbraw/zinc/80/83/95/633808395.db2.gz OFFZEXKHBJIMAU-VXGBXAGGSA-N 2 1 277.368 2.031 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CCCCCCC[NH3+])CC[NH2+]CC2 ZINC000818339966 633911826 /nfs/dbraw/zinc/91/18/26/633911826.db2.gz GPWSNRIPSIWOIT-OAHLLOKOSA-N 3 1 267.461 2.360 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000818968297 634021259 /nfs/dbraw/zinc/02/12/59/634021259.db2.gz QEWUMPIXGGPHLM-HNNXBMFYSA-N 2 1 295.333 2.183 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000818968407 634022128 /nfs/dbraw/zinc/02/21/28/634022128.db2.gz SVDGRAYZOCTWNW-MRXNPFEDSA-N 2 1 273.380 2.213 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2C)C1 ZINC000818981652 634027334 /nfs/dbraw/zinc/02/73/34/634027334.db2.gz WMPZPQBPXZPSPE-RDJZCZTQSA-N 2 1 276.424 2.350 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000818984316 634028971 /nfs/dbraw/zinc/02/89/71/634028971.db2.gz DOHPSQZAXWVXMF-NVXWUHKLSA-N 2 1 276.424 2.430 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000819152460 634086513 /nfs/dbraw/zinc/08/65/13/634086513.db2.gz UOYYJANBKLUOLF-WBVHZDCISA-N 2 1 276.424 2.288 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902790845 634834556 /nfs/dbraw/zinc/83/45/56/634834556.db2.gz SDUOWFPTGVXXDS-YZXKGSGOSA-N 2 1 266.429 2.120 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902790845 634834560 /nfs/dbraw/zinc/83/45/60/634834560.db2.gz SDUOWFPTGVXXDS-YZXKGSGOSA-N 2 1 266.429 2.120 20 0 CEADMP CO[C@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000903099681 634968348 /nfs/dbraw/zinc/96/83/48/634968348.db2.gz LJIJQJMCPKZUHA-KBPBESRZSA-N 2 1 251.374 2.129 20 0 CEADMP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)C ZINC000903100111 634969308 /nfs/dbraw/zinc/96/93/08/634969308.db2.gz PRBBLEIHCSDWMF-YPAMNDHTSA-N 2 1 266.429 2.405 20 0 CEADMP Cc1noc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)n1 ZINC000903115275 634978914 /nfs/dbraw/zinc/97/89/14/634978914.db2.gz ALMSJJBVLOUINQ-LQDVMPOASA-N 2 1 290.411 2.058 20 0 CEADMP CO[C@@H]1CCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000903166166 634995996 /nfs/dbraw/zinc/99/59/96/634995996.db2.gz VTOWITDKRDXKBW-PFSRBDOWSA-N 2 1 252.402 2.160 20 0 CEADMP OC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)CC1CC1 ZINC000903200538 635010120 /nfs/dbraw/zinc/01/01/20/635010120.db2.gz QTMZXDRAVJXYQA-YTTRVJOFSA-N 2 1 278.440 2.142 20 0 CEADMP C[C@H](Cc1cnn(C)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903187168 635012695 /nfs/dbraw/zinc/01/26/95/635012695.db2.gz REJLVIJONAMUOJ-JATKITJMSA-N 2 1 288.439 2.099 20 0 CEADMP FC(F)CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903189665 635012771 /nfs/dbraw/zinc/01/27/71/635012771.db2.gz FWVVENCXDIVKPE-YPRXJGMQSA-N 2 1 299.409 2.073 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2cccc(F)c2)CC[N@H+]1C ZINC000903310274 635060517 /nfs/dbraw/zinc/06/05/17/635060517.db2.gz PITCTSXHFABKIS-UHOFOFEASA-N 2 1 280.387 2.106 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000903434583 635116112 /nfs/dbraw/zinc/11/61/12/635116112.db2.gz IBUAJYPPROAFDT-SPUZQDLCSA-N 2 1 288.435 2.430 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)[C@H]2CCC[C@H]21 ZINC000903438936 635117618 /nfs/dbraw/zinc/11/76/18/635117618.db2.gz AKVOUZBQTPFHGC-CWQOZTLDSA-N 2 1 286.419 2.107 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C(C)C ZINC000903460869 635125822 /nfs/dbraw/zinc/12/58/22/635125822.db2.gz KNASEASVFHQQNV-QAETUUGQSA-N 2 1 298.471 2.123 20 0 CEADMP Cc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)nn1 ZINC000903459992 635126278 /nfs/dbraw/zinc/12/62/78/635126278.db2.gz SWNDISTYPNUISD-CYBMUJFWSA-N 2 1 274.412 2.057 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000903442215 635128075 /nfs/dbraw/zinc/12/80/75/635128075.db2.gz KZPHHPYDOLSOLE-BDXSIMOUSA-N 2 1 293.499 2.428 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000903454605 635138196 /nfs/dbraw/zinc/13/81/96/635138196.db2.gz FCWPPMVTLNUBEL-KXUCPTDWSA-N 2 1 268.323 2.059 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903454841 635138334 /nfs/dbraw/zinc/13/83/34/635138334.db2.gz KJUCLHMQWIZURV-JOLBHGKHSA-N 2 1 258.356 2.254 20 0 CEADMP C[C@@H](c1ccsc1)[NH+]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903456052 635138701 /nfs/dbraw/zinc/13/87/01/635138701.db2.gz DITXUIURZZWOFG-YCPHGPKFSA-N 2 1 293.480 2.282 20 0 CEADMP CC1(C)CC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)OC1 ZINC000903472604 635142638 /nfs/dbraw/zinc/14/26/38/635142638.db2.gz SVVCKVRQRBHGOW-STQMWFEESA-N 2 1 252.402 2.066 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CCC2(CCC2)CO1 ZINC000903471796 635143075 /nfs/dbraw/zinc/14/30/75/635143075.db2.gz MSKHRKZQXLAXGM-KGLIPLIRSA-N 2 1 264.413 2.210 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000903476506 635146583 /nfs/dbraw/zinc/14/65/83/635146583.db2.gz ZAHVDMLLXPXXFS-WWGRRREGSA-N 2 1 278.371 2.134 20 0 CEADMP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CCC1 ZINC000903481759 635149470 /nfs/dbraw/zinc/14/94/70/635149470.db2.gz LZNAHNAXPRXHGF-UONOGXRCSA-N 2 1 252.402 2.066 20 0 CEADMP COC[C@@H](C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000903481905 635149939 /nfs/dbraw/zinc/14/99/39/635149939.db2.gz PZZSYVKXRVSXBS-CVEARBPZSA-N 2 1 268.445 2.371 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@H]1C[C@H]2CCC[C@@H]2O1 ZINC000903481868 635150104 /nfs/dbraw/zinc/15/01/04/635150104.db2.gz ORDIJYDAKSMQID-KBXIAJHMSA-N 2 1 264.413 2.208 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C1CCCCC1 ZINC000903498502 635153967 /nfs/dbraw/zinc/15/39/67/635153967.db2.gz IXDMHQCAQYOXSM-FVQBIDKESA-N 2 1 268.445 2.498 20 0 CEADMP C(CC1CCC1)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903505406 635154202 /nfs/dbraw/zinc/15/42/02/635154202.db2.gz AIPNMESIELXCPU-HDICACEKSA-N 2 1 291.483 2.467 20 0 CEADMP C(CC1CCC1)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505406 635154205 /nfs/dbraw/zinc/15/42/05/635154205.db2.gz AIPNMESIELXCPU-HDICACEKSA-N 2 1 291.483 2.467 20 0 CEADMP C(CC1CCC1)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505406 635154208 /nfs/dbraw/zinc/15/42/08/635154208.db2.gz AIPNMESIELXCPU-HDICACEKSA-N 2 1 291.483 2.467 20 0 CEADMP CCCCCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496421 635157239 /nfs/dbraw/zinc/15/72/39/635157239.db2.gz MZXLZIRLNLKETO-BZUAXINKSA-N 2 1 297.487 2.378 20 0 CEADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CCCC[C@@H]2C)C[C@H]1CC[NH3+] ZINC000903497495 635158795 /nfs/dbraw/zinc/15/87/95/635158795.db2.gz ZZRIEAXCCXSIMY-ZJIFWQFVSA-N 2 1 268.445 2.498 20 0 CEADMP c1csc(C[C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000903565012 635164897 /nfs/dbraw/zinc/16/48/97/635164897.db2.gz CCUVNNDYZBDVEN-KBPBESRZSA-N 2 1 279.453 2.397 20 0 CEADMP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCC1 ZINC000903717688 635232634 /nfs/dbraw/zinc/23/26/34/635232634.db2.gz DBGMEZGMKRCXLA-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@@H]1CCCC[NH2+]C1 ZINC000903718312 635233384 /nfs/dbraw/zinc/23/33/84/635233384.db2.gz KMMAKWONKKZPMC-OAHLLOKOSA-N 2 1 290.407 2.279 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@H]1CCCC[NH2+]C1 ZINC000903718312 635233388 /nfs/dbraw/zinc/23/33/88/635233388.db2.gz KMMAKWONKKZPMC-OAHLLOKOSA-N 2 1 290.407 2.279 20 0 CEADMP CCC[C@H](C)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903721485 635235145 /nfs/dbraw/zinc/23/51/45/635235145.db2.gz BEXYQAUKRHWHNF-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+](Cc1ccc(F)cc1F)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725171 635238813 /nfs/dbraw/zinc/23/88/13/635238813.db2.gz XOOYRKXWPYFOMX-GDBMZVCRSA-N 2 1 296.361 2.165 20 0 CEADMP C[N@H+](Cc1ccc(F)cc1F)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725171 635238814 /nfs/dbraw/zinc/23/88/14/635238814.db2.gz XOOYRKXWPYFOMX-GDBMZVCRSA-N 2 1 296.361 2.165 20 0 CEADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@@H]1C1CCC1 ZINC000903727756 635239731 /nfs/dbraw/zinc/23/97/31/635239731.db2.gz XDKVDSFZWCEHQE-HZPDHXFCSA-N 2 1 278.440 2.410 20 0 CEADMP CC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H](C)C(C)C ZINC000903726738 635239741 /nfs/dbraw/zinc/23/97/41/635239741.db2.gz NYOSATNKMOXXPO-KKUMJFAQSA-N 2 1 254.418 2.121 20 0 CEADMP OCC[N@@H+](C[C@@H]1CCCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000903729713 635241048 /nfs/dbraw/zinc/24/10/48/635241048.db2.gz REKBXEHWSLSRSY-QAPCUYQASA-N 2 1 288.435 2.358 20 0 CEADMP CCCO[C@@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903728972 635241144 /nfs/dbraw/zinc/24/11/44/635241144.db2.gz IMFZFMPJJFPHKL-ZACQAIPSSA-N 2 1 296.455 2.036 20 0 CEADMP CCC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903732870 635243187 /nfs/dbraw/zinc/24/31/87/635243187.db2.gz HGJXMQHVHFZBKP-BZUAXINKSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC[C@H]1[NH3+] ZINC000903715956 635245801 /nfs/dbraw/zinc/24/58/01/635245801.db2.gz CPZXBCQMMNVYFN-WRWGMCAJSA-N 2 1 280.334 2.156 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC[C@H]1[NH3+] ZINC000903715956 635245805 /nfs/dbraw/zinc/24/58/05/635245805.db2.gz CPZXBCQMMNVYFN-WRWGMCAJSA-N 2 1 280.334 2.156 20 0 CEADMP c1ccc([C@H]2CC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)nc1 ZINC000903751518 635248735 /nfs/dbraw/zinc/24/87/35/635248735.db2.gz GBKFQUAVGNGVEL-GJZGRUSLSA-N 2 1 259.397 2.261 20 0 CEADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCCC2(CCCC2)C1 ZINC000903751587 635249296 /nfs/dbraw/zinc/24/92/96/635249296.db2.gz GYLYDDUEICNMRP-RDJZCZTQSA-N 2 1 278.440 2.411 20 0 CEADMP CC[C@@H]1CCCCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903734416 635250339 /nfs/dbraw/zinc/25/03/39/635250339.db2.gz QKKUPBFHGWWRRG-BZUAXINKSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903734684 635251376 /nfs/dbraw/zinc/25/13/76/635251376.db2.gz UWLFCLNCSDULQQ-QXSJWSMHSA-N 2 1 266.429 2.266 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)OC1CCSCC1 ZINC000903740261 635252577 /nfs/dbraw/zinc/25/25/77/635252577.db2.gz FJBAAWWQYGWOAX-ZBFHGGJFSA-N 2 1 298.496 2.363 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903742584 635254400 /nfs/dbraw/zinc/25/44/00/635254400.db2.gz XQMZEQFLHWOXLR-GOEBONIOSA-N 2 1 276.428 2.255 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903741376 635254488 /nfs/dbraw/zinc/25/44/88/635254488.db2.gz OZDPXASCTHQYDG-IRXDYDNUSA-N 2 1 279.472 2.040 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C[C@H]1C[NH3+] ZINC000903760477 635255523 /nfs/dbraw/zinc/25/55/23/635255523.db2.gz XFQLXROCABHBFT-FVCCEPFGSA-N 2 1 294.361 2.403 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C[C@H]1C[NH3+] ZINC000903760477 635255527 /nfs/dbraw/zinc/25/55/27/635255527.db2.gz XFQLXROCABHBFT-FVCCEPFGSA-N 2 1 294.361 2.403 20 0 CEADMP C[C@H]1CCCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903759121 635256279 /nfs/dbraw/zinc/25/62/79/635256279.db2.gz OXZIYNFSYKLKDZ-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H](CC)CO1 ZINC000903762629 635257283 /nfs/dbraw/zinc/25/72/83/635257283.db2.gz BORUSZPDIINPDL-OAGGEKHMSA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903765926 635258690 /nfs/dbraw/zinc/25/86/90/635258690.db2.gz NACOWGHDKYLRDG-LVQVYYBASA-N 2 1 266.429 2.266 20 0 CEADMP COc1ccc(CC[N@@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903795485 635262519 /nfs/dbraw/zinc/26/25/19/635262519.db2.gz MNVJWKWHZYVBKW-NVXWUHKLSA-N 2 1 274.408 2.441 20 0 CEADMP COc1ccc(CC[N@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903795485 635262525 /nfs/dbraw/zinc/26/25/25/635262525.db2.gz MNVJWKWHZYVBKW-NVXWUHKLSA-N 2 1 274.408 2.441 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C(C)(C)C ZINC000903781311 635267339 /nfs/dbraw/zinc/26/73/39/635267339.db2.gz PRTYSGKSISCKOS-IJEWVQPXSA-N 2 1 268.445 2.369 20 0 CEADMP CCCCNC(=O)CC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903815067 635272755 /nfs/dbraw/zinc/27/27/55/635272755.db2.gz POTPKJIMTJGDTB-OAHLLOKOSA-N 2 1 295.471 2.276 20 0 CEADMP CC1(C)CO[C@H](C[N@@H+]2CCC[C@H]3CC[C@]32C[NH3+])C1 ZINC000903800810 635278451 /nfs/dbraw/zinc/27/84/51/635278451.db2.gz IDSOGTRFEGXFAG-YDHLFZDLSA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@H]3CC[C@]32C[NH3+])C1 ZINC000903800810 635278456 /nfs/dbraw/zinc/27/84/56/635278456.db2.gz IDSOGTRFEGXFAG-YDHLFZDLSA-N 2 1 252.402 2.005 20 0 CEADMP Cc1nocc1C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810503 635284213 /nfs/dbraw/zinc/28/42/13/635284213.db2.gz CPJGPVGTIFQEMC-AWEZNQCLSA-N 2 1 263.385 2.467 20 0 CEADMP COC(=O)CCCC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903811284 635285007 /nfs/dbraw/zinc/28/50/07/635285007.db2.gz KTXFAAYYIMIQKX-AWEZNQCLSA-N 2 1 282.428 2.313 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@@H]2C[C@]23CCOC3)CCC1 ZINC000903811235 635285271 /nfs/dbraw/zinc/28/52/71/635285271.db2.gz KFXBLSDDNIARKK-ZOBUZTSGSA-N 2 1 278.440 2.397 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)on1 ZINC000903813002 635286688 /nfs/dbraw/zinc/28/66/88/635286688.db2.gz WZVBAXAHBAQFRJ-AWEZNQCLSA-N 2 1 263.385 2.467 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)on1 ZINC000903813002 635286691 /nfs/dbraw/zinc/28/66/91/635286691.db2.gz WZVBAXAHBAQFRJ-AWEZNQCLSA-N 2 1 263.385 2.467 20 0 CEADMP CCCCCNC(=O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903813201 635287409 /nfs/dbraw/zinc/28/74/09/635287409.db2.gz YXINJMRVHFBBBU-HNNXBMFYSA-N 2 1 295.471 2.276 20 0 CEADMP CCCCCNC(=O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903813201 635287412 /nfs/dbraw/zinc/28/74/12/635287412.db2.gz YXINJMRVHFBBBU-HNNXBMFYSA-N 2 1 295.471 2.276 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903813208 635287741 /nfs/dbraw/zinc/28/77/41/635287741.db2.gz ZBYRIQLBLQRJNE-RRFJBIMHSA-N 2 1 266.429 2.395 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)c(C)n1 ZINC000903818391 635288205 /nfs/dbraw/zinc/28/82/05/635288205.db2.gz JPRUZPOGWUBCBW-UHFFFAOYSA-N 2 1 289.423 2.043 20 0 CEADMP Cc1ccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)c(C)n1 ZINC000903818391 635288209 /nfs/dbraw/zinc/28/82/09/635288209.db2.gz JPRUZPOGWUBCBW-UHFFFAOYSA-N 2 1 289.423 2.043 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903813210 635288333 /nfs/dbraw/zinc/28/83/33/635288333.db2.gz ZBYRIQLBLQRJNE-ZNMIVQPWSA-N 2 1 266.429 2.395 20 0 CEADMP CC1(C)CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1c1ccccc1 ZINC000903824260 635292252 /nfs/dbraw/zinc/29/22/52/635292252.db2.gz OTQDAARJWXVUNO-QAETUUGQSA-N 2 1 288.435 2.353 20 0 CEADMP c1csc(C[C@@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)n1 ZINC000903831589 635296633 /nfs/dbraw/zinc/29/66/33/635296633.db2.gz KGYURBLAZAZTHP-UONOGXRCSA-N 2 1 279.453 2.397 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCC[C@@H](C(F)(F)F)O1)C2 ZINC000903840466 635299471 /nfs/dbraw/zinc/29/94/71/635299471.db2.gz QVUNKGNAJRVGJE-OFTGVCEQSA-N 2 1 292.345 2.298 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@H]1CCC2(CCCC2)O1 ZINC000903857923 635309789 /nfs/dbraw/zinc/30/97/89/635309789.db2.gz GRLIWGKJIWJMIY-IIAWOOMASA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@H]1CCC2(CCCC2)O1 ZINC000903857923 635309795 /nfs/dbraw/zinc/30/97/95/635309795.db2.gz GRLIWGKJIWJMIY-IIAWOOMASA-N 2 1 264.413 2.291 20 0 CEADMP CO[C@@H](C[N@@H+]1CCC[C@]12CC[NH2+]C2)C1CCCC1 ZINC000903871897 635319741 /nfs/dbraw/zinc/31/97/41/635319741.db2.gz WTNBSTGYZTXWMD-LSDHHAIUSA-N 2 1 252.402 2.020 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@]12CC[NH2+]C2)C1CCCC1 ZINC000903871897 635319746 /nfs/dbraw/zinc/31/97/46/635319746.db2.gz WTNBSTGYZTXWMD-LSDHHAIUSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@]12CSC[C@H]1C[N@@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903871918 635320501 /nfs/dbraw/zinc/32/05/01/635320501.db2.gz SHUAKZKWPZACID-MJBXVCDLSA-N 2 1 254.443 2.061 20 0 CEADMP CC(C)(C)[C@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903914923 635329265 /nfs/dbraw/zinc/32/92/65/635329265.db2.gz MFECEZNKVLKFHZ-KBPBESRZSA-N 2 1 291.443 2.071 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000903895662 635332024 /nfs/dbraw/zinc/33/20/24/635332024.db2.gz PQACMRLPPWJYBS-AKBNIOSXSA-N 3 1 279.472 2.179 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000903895662 635332026 /nfs/dbraw/zinc/33/20/26/635332026.db2.gz PQACMRLPPWJYBS-AKBNIOSXSA-N 3 1 279.472 2.179 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000903895662 635332030 /nfs/dbraw/zinc/33/20/30/635332030.db2.gz PQACMRLPPWJYBS-AKBNIOSXSA-N 3 1 279.472 2.179 20 0 CEADMP CCN1CC[C@@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000903895662 635332041 /nfs/dbraw/zinc/33/20/41/635332041.db2.gz PQACMRLPPWJYBS-AKBNIOSXSA-N 2 1 279.472 2.179 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000903895662 635332050 /nfs/dbraw/zinc/33/20/50/635332050.db2.gz PQACMRLPPWJYBS-AKBNIOSXSA-N 2 1 279.472 2.179 20 0 CEADMP CC[C@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903895585 635332062 /nfs/dbraw/zinc/33/20/62/635332062.db2.gz OOXOWGIXZAJVAL-GJZGRUSLSA-N 2 1 291.443 2.215 20 0 CEADMP c1cc(O[C@@H]2CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)ccn1 ZINC000903909005 635342898 /nfs/dbraw/zinc/34/28/98/635342898.db2.gz QSHBCENXPVGQJJ-UCMJJCQDSA-N 2 1 287.407 2.065 20 0 CEADMP [NH3+]CCC[C@@H](NC[C@@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903919675 635349254 /nfs/dbraw/zinc/34/92/54/635349254.db2.gz PMDAPHMJUNVXIB-QWHCGFSZSA-N 2 1 271.355 2.039 20 0 CEADMP N[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)CC(F)F ZINC000903919675 635349260 /nfs/dbraw/zinc/34/92/60/635349260.db2.gz PMDAPHMJUNVXIB-QWHCGFSZSA-N 2 1 271.355 2.039 20 0 CEADMP C[C@H](COc1cccc(F)c1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903922326 635349724 /nfs/dbraw/zinc/34/97/24/635349724.db2.gz VHUOOSFOODBZTG-MWLCHTKSSA-N 2 1 276.302 2.165 20 0 CEADMP COc1cc(CC[NH2+]C[C@H]([NH3+])CC(F)F)ccc1C ZINC000903924659 635352353 /nfs/dbraw/zinc/35/23/53/635352353.db2.gz GKPPLOIPJZPAQB-GFCCVEGCSA-N 2 1 272.339 2.118 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)[C@H]2CCC(C)(C)C2)cnn1C ZINC000903917926 635366066 /nfs/dbraw/zinc/36/60/66/635366066.db2.gz OTLQMUYZPRIFAA-ZBFHGGJFSA-N 2 1 292.471 2.356 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959860 635369139 /nfs/dbraw/zinc/36/91/39/635369139.db2.gz QDUWGOWWBYZSHE-INIZCTEOSA-N 2 1 276.428 2.003 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959861 635369651 /nfs/dbraw/zinc/36/96/51/635369651.db2.gz QDUWGOWWBYZSHE-MRXNPFEDSA-N 2 1 276.428 2.003 20 0 CEADMP COc1ccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1O ZINC000903959656 635369846 /nfs/dbraw/zinc/36/98/46/635369846.db2.gz LLIGEGNDUCVJGM-QGZVFWFLSA-N 2 1 290.407 2.366 20 0 CEADMP COc1ccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1O ZINC000903959656 635369850 /nfs/dbraw/zinc/36/98/50/635369850.db2.gz LLIGEGNDUCVJGM-QGZVFWFLSA-N 2 1 290.407 2.366 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@]1(C)CC[NH2+]C1 ZINC000903948364 635380284 /nfs/dbraw/zinc/38/02/84/635380284.db2.gz OLNSYAVVWQEIJP-MRXNPFEDSA-N 3 1 267.461 2.184 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC1CC[NH2+]CC1 ZINC000903948335 635380379 /nfs/dbraw/zinc/38/03/79/635380379.db2.gz NVLKQZJYYOGKCM-UHFFFAOYSA-N 3 1 267.461 2.184 20 0 CEADMP c1c(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)sc2c1C[NH2+]CC2 ZINC000903954787 635388427 /nfs/dbraw/zinc/38/84/27/635388427.db2.gz VQOVBXKUWDBHCX-SWLSCSKDSA-N 2 1 292.448 2.395 20 0 CEADMP C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974008 635391523 /nfs/dbraw/zinc/39/15/23/635391523.db2.gz SBTVSVWDKRWTOI-RYUDHWBXSA-N 2 1 294.361 2.466 20 0 CEADMP CC1(C)CCC[C@@H]1[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973139 635391678 /nfs/dbraw/zinc/39/16/78/635391678.db2.gz OYOPLBZRJDZVMH-KGLIPLIRSA-N 2 1 266.429 2.313 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000903979010 635395614 /nfs/dbraw/zinc/39/56/14/635395614.db2.gz RWQBAIUXFDCQCF-KURKYZTESA-N 2 1 288.435 2.260 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000903979010 635395620 /nfs/dbraw/zinc/39/56/20/635395620.db2.gz RWQBAIUXFDCQCF-KURKYZTESA-N 2 1 288.435 2.260 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1OC(F)F ZINC000903964673 635398464 /nfs/dbraw/zinc/39/84/64/635398464.db2.gz OHFPWJFNTPJJNS-PWSUYJOCSA-N 2 1 270.323 2.233 20 0 CEADMP COCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)c1ccccc1 ZINC000904309173 635558437 /nfs/dbraw/zinc/55/84/37/635558437.db2.gz BNPHVAYTIOCCGJ-OFQRWUPVSA-N 2 1 262.397 2.433 20 0 CEADMP CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904323069 635568946 /nfs/dbraw/zinc/56/89/46/635568946.db2.gz LNGZAOFWFRJXAG-VNQPRFMTSA-N 2 1 262.397 2.088 20 0 CEADMP C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C1Cc2ccccc2C1 ZINC000904336439 635578619 /nfs/dbraw/zinc/57/86/19/635578619.db2.gz QBBQJZWCSVQBAQ-KRWDZBQOSA-N 2 1 258.409 2.475 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)C1 ZINC000904342599 635580098 /nfs/dbraw/zinc/58/00/98/635580098.db2.gz LHQBVWGWBVGHPE-UTUOFQBUSA-N 2 1 266.335 2.491 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)[C@@H](C)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341835 635580472 /nfs/dbraw/zinc/58/04/72/635580472.db2.gz WYVJGLJVBFEFEQ-CIRFHOKZSA-N 2 1 287.451 2.319 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)C1 ZINC000904346279 635581646 /nfs/dbraw/zinc/58/16/46/635581646.db2.gz SRADPCNPCPERHO-KSZLIROESA-N 2 1 288.435 2.447 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904347152 635582848 /nfs/dbraw/zinc/58/28/48/635582848.db2.gz CYABBEFCHHIKPO-SJORKVTESA-N 2 1 296.455 2.287 20 0 CEADMP CN(C)[C@H](C[NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000904369109 635592624 /nfs/dbraw/zinc/59/26/24/635592624.db2.gz YCFSKWAMFYAJFM-SJORKVTESA-N 2 1 275.440 2.269 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405088 635612230 /nfs/dbraw/zinc/61/22/30/635612230.db2.gz IWZJCFNKEMCZHM-HNNXBMFYSA-N 2 1 299.422 2.055 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000904406219 635613913 /nfs/dbraw/zinc/61/39/13/635613913.db2.gz UTHGLCHVCYLCJQ-OAHLLOKOSA-N 2 1 274.408 2.225 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000904406031 635614044 /nfs/dbraw/zinc/61/40/44/635614044.db2.gz OBFONRCDIFXBAF-HNNXBMFYSA-N 2 1 298.390 2.440 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904410549 635616273 /nfs/dbraw/zinc/61/62/73/635616273.db2.gz HICPUUAMZWZPGG-TZMCWYRMSA-N 2 1 275.396 2.062 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000904412802 635620240 /nfs/dbraw/zinc/62/02/40/635620240.db2.gz ZBZQKZSFSVCTRH-YPMHNXCESA-N 2 1 288.395 2.395 20 0 CEADMP CCc1onc(C)c1C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000904433313 635626491 /nfs/dbraw/zinc/62/64/91/635626491.db2.gz LEYCYMCWUQVILM-JQWIXIFHSA-N 2 1 251.374 2.166 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cncc(O)c1 ZINC000904433664 635627132 /nfs/dbraw/zinc/62/71/32/635627132.db2.gz PDKOYPOCPJSIKW-TZMCWYRMSA-N 2 1 263.385 2.188 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@H](C3CCOCC3)C2)CC[NH2+]C1 ZINC000904434829 635628275 /nfs/dbraw/zinc/62/82/75/635628275.db2.gz YUKZIGSBDDXBGX-JKSUJKDBSA-N 2 1 266.429 2.125 20 0 CEADMP Cc1cccc([C@@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000905060582 635807261 /nfs/dbraw/zinc/80/72/61/635807261.db2.gz VQBVHAWTPYSQNM-PBHICJAKSA-N 2 1 274.408 2.102 20 0 CEADMP Cc1nc(N2CCC[C@@H]([NH3+])C2)cc(Nc2ccccc2)[nH+]1 ZINC000905621765 636349249 /nfs/dbraw/zinc/34/92/49/636349249.db2.gz DLJDCJWAFVXPFU-CYBMUJFWSA-N 2 1 283.379 2.456 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000906105099 636603599 /nfs/dbraw/zinc/60/35/99/636603599.db2.gz WLNZOVYGMMXGGI-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](C)CCCC1CC[NH+](Cc2cn(C3CC3)nn2)CC1 ZINC000906279631 636677372 /nfs/dbraw/zinc/67/73/72/636677372.db2.gz FYTJYJLOIUTDMA-UHFFFAOYSA-N 2 1 291.443 2.167 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCn1cc[nH+]c1C(C)C ZINC000828966043 636739214 /nfs/dbraw/zinc/73/92/14/636739214.db2.gz VEONTEMEYVAVCO-CYBMUJFWSA-N 2 1 294.443 2.147 20 0 CEADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906507653 636757841 /nfs/dbraw/zinc/75/78/41/636757841.db2.gz BLYQKJWLBHXDSS-HDJSIYSDSA-N 2 1 290.798 2.413 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000906508351 636759870 /nfs/dbraw/zinc/75/98/70/636759870.db2.gz OFNRLVHWNXNIQN-KOMQPUFPSA-N 2 1 283.375 2.240 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000829226861 636806527 /nfs/dbraw/zinc/80/65/27/636806527.db2.gz XCIOMNPGOXBDRJ-HIFRSBDPSA-N 2 1 295.471 2.131 20 0 CEADMP CC[N@@H+](CCNC(=O)c1c(C)cc(C)nc1C)C(C)C ZINC000906681235 636819925 /nfs/dbraw/zinc/81/99/25/636819925.db2.gz CDDOSQYBMMPRRP-UHFFFAOYSA-N 2 1 277.412 2.467 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)c1c(C)cc(C)nc1C ZINC000906881464 636875771 /nfs/dbraw/zinc/87/57/71/636875771.db2.gz VWLIYFBTAJHWLQ-UHFFFAOYSA-N 2 1 277.412 2.469 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000907433236 637023472 /nfs/dbraw/zinc/02/34/72/637023472.db2.gz UGPYCCHIJMGDPP-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000907433236 637023475 /nfs/dbraw/zinc/02/34/75/637023475.db2.gz UGPYCCHIJMGDPP-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000907433236 637023479 /nfs/dbraw/zinc/02/34/79/637023479.db2.gz UGPYCCHIJMGDPP-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000830943814 637202389 /nfs/dbraw/zinc/20/23/89/637202389.db2.gz MFKSYUQEVVQPGJ-MRXNPFEDSA-N 2 1 295.471 2.086 20 0 CEADMP CC[C@@H](C(=O)N1CCC[N@@H+](CC)C[C@H]1C)[NH+](CC)CC ZINC000910281690 637975320 /nfs/dbraw/zinc/97/53/20/637975320.db2.gz LMPCEYNYMCAKDL-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000834867450 637975994 /nfs/dbraw/zinc/97/59/94/637975994.db2.gz MTQSERZOWURYQE-HNNXBMFYSA-N 2 1 283.460 2.132 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)c2csc([C@@H](C)[NH3+])n2)c1 ZINC000911691815 638360995 /nfs/dbraw/zinc/36/09/95/638360995.db2.gz CWYFPIOJSVKUJV-SECBINFHSA-N 2 1 290.392 2.135 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000911808866 638419476 /nfs/dbraw/zinc/41/94/76/638419476.db2.gz BRIHNAVBRRLCEG-INIZCTEOSA-N 2 1 287.407 2.144 20 0 CEADMP C/C(=C(\F)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1CC1 ZINC000912302665 638637015 /nfs/dbraw/zinc/63/70/15/638637015.db2.gz GFFNGECYXBJWFH-PRSJPOKTSA-N 2 1 299.434 2.028 20 0 CEADMP C/C(=C(\F)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1CC1 ZINC000912302665 638637019 /nfs/dbraw/zinc/63/70/19/638637019.db2.gz GFFNGECYXBJWFH-PRSJPOKTSA-N 2 1 299.434 2.028 20 0 CEADMP CN1CCCC[C@H]1C(=O)OCC[N@@H+](C)Cc1ccccc1 ZINC000837538691 639271649 /nfs/dbraw/zinc/27/16/49/639271649.db2.gz QKIIBNYVOCLLLS-INIZCTEOSA-N 2 1 290.407 2.146 20 0 CEADMP C[N@@H+](CCOC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccccc1 ZINC000837538691 639271665 /nfs/dbraw/zinc/27/16/65/639271665.db2.gz QKIIBNYVOCLLLS-INIZCTEOSA-N 2 1 290.407 2.146 20 0 CEADMP C[NH+](CCOC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000837538691 639271669 /nfs/dbraw/zinc/27/16/69/639271669.db2.gz QKIIBNYVOCLLLS-INIZCTEOSA-N 2 1 290.407 2.146 20 0 CEADMP C[NH+](CCOC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000837538691 639271677 /nfs/dbraw/zinc/27/16/77/639271677.db2.gz QKIIBNYVOCLLLS-INIZCTEOSA-N 2 1 290.407 2.146 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)N1CCc2ccccc21 ZINC000925485292 639441342 /nfs/dbraw/zinc/44/13/42/639441342.db2.gz AEBGYAUHGPQYKI-XJKSGUPXSA-N 2 1 273.424 2.168 20 0 CEADMP c1cnc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000226813345 639565065 /nfs/dbraw/zinc/56/50/65/639565065.db2.gz NERKHOCKICJXHT-WFASDCNBSA-N 2 1 257.381 2.143 20 0 CEADMP c1cnc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000226813345 639565068 /nfs/dbraw/zinc/56/50/68/639565068.db2.gz NERKHOCKICJXHT-WFASDCNBSA-N 2 1 257.381 2.143 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000227189955 639574775 /nfs/dbraw/zinc/57/47/75/639574775.db2.gz YMZKANBJGGBPTP-LSDHHAIUSA-N 2 1 262.397 2.433 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CC3(O)CCCCC3)CC[C@H]21 ZINC000227342858 639586373 /nfs/dbraw/zinc/58/63/73/639586373.db2.gz RJZDTOXOTVXQGV-LSDHHAIUSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CC3(O)CCCCC3)CC[C@H]21 ZINC000227342858 639586374 /nfs/dbraw/zinc/58/63/74/639586374.db2.gz RJZDTOXOTVXQGV-LSDHHAIUSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3(O)CCCCC3)CC[C@H]21 ZINC000227342858 639586375 /nfs/dbraw/zinc/58/63/75/639586375.db2.gz RJZDTOXOTVXQGV-LSDHHAIUSA-N 2 1 266.429 2.098 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ncc(Cl)n2C)cc1 ZINC000841028917 639621519 /nfs/dbraw/zinc/62/15/19/639621519.db2.gz IFOKASISEJPPLX-SNVBAGLBSA-N 2 1 278.787 2.383 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cnc1Cl ZINC000841065236 639641498 /nfs/dbraw/zinc/64/14/98/639641498.db2.gz ZHNHLBAGQASRKC-ZYHUDNBSSA-N 2 1 253.777 2.131 20 0 CEADMP Clc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000841089217 639653677 /nfs/dbraw/zinc/65/36/77/639653677.db2.gz JBCQXELKZUDEGQ-GFCCVEGCSA-N 2 1 265.788 2.499 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000063527287 639865957 /nfs/dbraw/zinc/86/59/57/639865957.db2.gz XMNCXAFXQUAHAH-UHFFFAOYSA-N 2 1 259.397 2.389 20 0 CEADMP Oc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1F ZINC000232421393 639920841 /nfs/dbraw/zinc/92/08/41/639920841.db2.gz MZXSPXAQVUFYPP-UHFFFAOYSA-N 2 1 266.360 2.497 20 0 CEADMP CC(C)([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000842207280 639977332 /nfs/dbraw/zinc/97/73/32/639977332.db2.gz NDICRJFMMHMEDS-CABCVRRESA-N 2 1 266.429 2.408 20 0 CEADMP c1cncc(CCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000929697814 640022231 /nfs/dbraw/zinc/02/22/31/640022231.db2.gz VKYXTAZQJSZKQV-QGZVFWFLSA-N 2 1 273.424 2.432 20 0 CEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccn(-c2ccccc2)n1 ZINC000842471952 640071656 /nfs/dbraw/zinc/07/16/56/640071656.db2.gz IVOHNBNYYMTUBN-OAHLLOKOSA-N 2 1 284.407 2.304 20 0 CEADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@@H](O)c1ccc(C)cc1 ZINC000842472520 640072983 /nfs/dbraw/zinc/07/29/83/640072983.db2.gz CTTVWCHRLXVLIJ-NVXWUHKLSA-N 2 1 276.424 2.350 20 0 CEADMP CO[C@@H]1CC[C@H]2OCC[N@@H+](CCCCCCC[NH3+])[C@@H]2C1 ZINC000842476375 640076954 /nfs/dbraw/zinc/07/69/54/640076954.db2.gz NDDGKZGRWZBCER-BZUAXINKSA-N 2 1 284.444 2.164 20 0 CEADMP CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCCCCCC[NH3+])[C@@H]2C1 ZINC000842476376 640077182 /nfs/dbraw/zinc/07/71/82/640077182.db2.gz NDDGKZGRWZBCER-OAGGEKHMSA-N 2 1 284.444 2.164 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000842478987 640078371 /nfs/dbraw/zinc/07/83/71/640078371.db2.gz MXESNQRDJKVJES-UHFFFAOYSA-N 2 1 288.391 2.451 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000842478987 640078377 /nfs/dbraw/zinc/07/83/77/640078377.db2.gz MXESNQRDJKVJES-UHFFFAOYSA-N 2 1 288.391 2.451 20 0 CEADMP CC[C@@H](CO)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929754106 640085691 /nfs/dbraw/zinc/08/56/91/640085691.db2.gz JASMBBCCRVPMBI-SJORKVTESA-N 2 1 276.424 2.211 20 0 CEADMP CC[C@@H](CO)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000929754106 640085696 /nfs/dbraw/zinc/08/56/96/640085696.db2.gz JASMBBCCRVPMBI-SJORKVTESA-N 2 1 276.424 2.211 20 0 CEADMP CC[C@@H](CO)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000929754106 640085699 /nfs/dbraw/zinc/08/56/99/640085699.db2.gz JASMBBCCRVPMBI-SJORKVTESA-N 2 1 276.424 2.211 20 0 CEADMP COC[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C(C)C ZINC000929783422 640196221 /nfs/dbraw/zinc/19/62/21/640196221.db2.gz RIJHGVZMSGZVAZ-ILXRZTDVSA-N 2 1 256.434 2.320 20 0 CEADMP COC[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C(C)C ZINC000929783422 640196225 /nfs/dbraw/zinc/19/62/25/640196225.db2.gz RIJHGVZMSGZVAZ-ILXRZTDVSA-N 2 1 256.434 2.320 20 0 CEADMP COC[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000929783422 640196228 /nfs/dbraw/zinc/19/62/28/640196228.db2.gz RIJHGVZMSGZVAZ-ILXRZTDVSA-N 2 1 256.434 2.320 20 0 CEADMP COC[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000929783422 640196231 /nfs/dbraw/zinc/19/62/31/640196231.db2.gz RIJHGVZMSGZVAZ-ILXRZTDVSA-N 2 1 256.434 2.320 20 0 CEADMP c1[nH]nc2cc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)ccc12 ZINC000843043930 640249276 /nfs/dbraw/zinc/24/92/76/640249276.db2.gz QOPJDICIKJWCAF-UHFFFAOYSA-N 2 1 270.380 2.279 20 0 CEADMP C[N@@H+](Cc1cnc2ccccn12)C1CCC([NH3+])CC1 ZINC000843055471 640257088 /nfs/dbraw/zinc/25/70/88/640257088.db2.gz COBJSWYKYVDXNK-UHFFFAOYSA-N 2 1 258.369 2.036 20 0 CEADMP CC(C)([NH3+])C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000843060415 640263714 /nfs/dbraw/zinc/26/37/14/640263714.db2.gz IABVLLSQZVTXGK-OAHLLOKOSA-N 2 1 262.397 2.169 20 0 CEADMP CCc1ccc(N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000843062685 640265197 /nfs/dbraw/zinc/26/51/97/640265197.db2.gz RBYCDPKXBSYOBM-SFHVURJKSA-N 2 1 287.451 2.371 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cnc1Cl ZINC000843125911 640292545 /nfs/dbraw/zinc/29/25/45/640292545.db2.gz CJRWFDUTZABRAQ-OKILXGFUSA-N 2 1 279.815 2.475 20 0 CEADMP COc1cccc(OCC[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843354561 640400466 /nfs/dbraw/zinc/40/04/66/640400466.db2.gz CLXNKQWMOCKLOP-UHFFFAOYSA-N 2 1 278.396 2.276 20 0 CEADMP CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843386096 640413765 /nfs/dbraw/zinc/41/37/65/640413765.db2.gz BXUNYCQDJYMSGQ-XHSDSOJGSA-N 2 1 296.455 2.430 20 0 CEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H]1CCCCO1 ZINC000250008491 640454447 /nfs/dbraw/zinc/45/44/47/640454447.db2.gz UGPVZLZXKDYEFR-WTXIUTQJSA-N 2 1 266.429 2.408 20 0 CEADMP CCCN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000843991086 640572050 /nfs/dbraw/zinc/57/20/50/640572050.db2.gz ICPBPKRVZVZJDG-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000877138761 650591618 /nfs/dbraw/zinc/59/16/18/650591618.db2.gz QEVBNFAQGKVYTF-UHFFFAOYSA-N 2 1 265.788 2.274 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993927313 640685093 /nfs/dbraw/zinc/68/50/93/640685093.db2.gz LJJPMSNGDDNGJP-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccc2c(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc(=O)oc2c1C ZINC000917199279 640863542 /nfs/dbraw/zinc/86/35/42/640863542.db2.gz YJULBNDCMBQZNN-GJZGRUSLSA-N 2 1 298.386 2.061 20 0 CEADMP C[N@H+](CCCCCC[NH3+])Cc1nc2ccccc2c(=O)[nH]1 ZINC000846217205 641225266 /nfs/dbraw/zinc/22/52/66/641225266.db2.gz CQFHSISXTQLFKA-UHFFFAOYSA-N 2 1 288.395 2.286 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1nc2ccccc2c(=O)[nH]1 ZINC000846217205 641225274 /nfs/dbraw/zinc/22/52/74/641225274.db2.gz CQFHSISXTQLFKA-UHFFFAOYSA-N 2 1 288.395 2.286 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000846221158 641231358 /nfs/dbraw/zinc/23/13/58/641231358.db2.gz UGSOKCUFJFGEPE-OAHLLOKOSA-N 2 1 254.418 2.254 20 0 CEADMP CC[N@@H+](CCCNC(=O)C[C@H]([NH3+])C1CC1)C1CCCCC1 ZINC000846689756 641395002 /nfs/dbraw/zinc/39/50/02/641395002.db2.gz SDCIINIIRXMSDU-INIZCTEOSA-N 2 1 295.471 2.275 20 0 CEADMP CCCOC(=O)[C@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248258 651270283 /nfs/dbraw/zinc/27/02/83/651270283.db2.gz PKGGXENFCAIQRJ-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000070170510 641640424 /nfs/dbraw/zinc/64/04/24/641640424.db2.gz QSZAIQQDRQDDPN-ZDUSSCGKSA-N 2 1 293.386 2.215 20 0 CEADMP CC(C)[C@H](C(=O)OCC[C@H]1CC[N@@H+](C)C1)[NH+]1CCCCC1 ZINC000847821441 641791113 /nfs/dbraw/zinc/79/11/13/641791113.db2.gz GIXXSIUGDODPFQ-HZPDHXFCSA-N 2 1 296.455 2.382 20 0 CEADMP CSCC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848529913 642036806 /nfs/dbraw/zinc/03/68/06/642036806.db2.gz ZZEHIRPWNADDCU-UKRRQHHQSA-N 2 1 286.485 2.361 20 0 CEADMP CC(C)[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995915591 642081996 /nfs/dbraw/zinc/08/19/96/642081996.db2.gz PESOLHXUPNFNJP-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995914792 642082061 /nfs/dbraw/zinc/08/20/61/642082061.db2.gz LADDYFGCJMJXCD-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1 ZINC000877452267 650725173 /nfs/dbraw/zinc/72/51/73/650725173.db2.gz VRSNAEOKKIAYII-VBNZEHGJSA-N 2 1 287.407 2.015 20 0 CEADMP CC(C)[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997059387 642177584 /nfs/dbraw/zinc/17/75/84/642177584.db2.gz CJALBXQKGQDIPZ-MRXNPFEDSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H](CNC(=[NH2+])NC1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000848986860 642209496 /nfs/dbraw/zinc/20/94/96/642209496.db2.gz IOIYURZZYOZAAZ-CHWSQXEVSA-N 2 1 266.433 2.306 20 0 CEADMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](C)[NH+](C)C)cc1 ZINC000848996539 642215851 /nfs/dbraw/zinc/21/58/51/642215851.db2.gz CPCDOUZOSXCTBI-LBPRGKRZSA-N 2 1 278.400 2.360 20 0 CEADMP CCCCCCNC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000848996072 642216136 /nfs/dbraw/zinc/21/61/36/642216136.db2.gz BNJSJZPNTQJIMQ-CQSZACIVSA-N 2 1 268.449 2.411 20 0 CEADMP CC[N@@H+](CCNC(=[NH2+])NCc1ccccc1OC)C(C)C ZINC000849000971 642219252 /nfs/dbraw/zinc/21/92/52/642219252.db2.gz JGCIRFBWCFNAQJ-UHFFFAOYSA-N 2 1 292.427 2.039 20 0 CEADMP c1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)n(C2CCC2)n1 ZINC000921545839 642219505 /nfs/dbraw/zinc/21/95/05/642219505.db2.gz ATZHGZHFRMKDFM-ZFWWWQNUSA-N 2 1 274.412 2.325 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC)CC1 ZINC000997170131 642224954 /nfs/dbraw/zinc/22/49/54/642224954.db2.gz LULUQXFJXOPMEF-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C1CC1)C1CC1 ZINC000849010978 642227518 /nfs/dbraw/zinc/22/75/18/642227518.db2.gz GKJLNMZBQLQZAH-CQSZACIVSA-N 2 1 278.444 2.021 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000849027896 642241494 /nfs/dbraw/zinc/24/14/94/642241494.db2.gz PJHDXNQMGJWBGC-AWEZNQCLSA-N 2 1 266.433 2.307 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921624590 642284937 /nfs/dbraw/zinc/28/49/37/642284937.db2.gz KHRUZXIBCXDRKP-GFCCVEGCSA-N 2 1 289.379 2.355 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921624590 642284941 /nfs/dbraw/zinc/28/49/41/642284941.db2.gz KHRUZXIBCXDRKP-GFCCVEGCSA-N 2 1 289.379 2.355 20 0 CEADMP CCC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999350890 642482254 /nfs/dbraw/zinc/48/22/54/642482254.db2.gz CIBPGIPXXYHRED-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921720215 642560075 /nfs/dbraw/zinc/56/00/75/642560075.db2.gz ZRKUWGHEMFXQBK-ZDUSSCGKSA-N 2 1 262.401 2.040 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921720215 642560081 /nfs/dbraw/zinc/56/00/81/642560081.db2.gz ZRKUWGHEMFXQBK-ZDUSSCGKSA-N 2 1 262.401 2.040 20 0 CEADMP COc1cncc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000850246703 642637800 /nfs/dbraw/zinc/63/78/00/642637800.db2.gz VZVICBOPKAFNLF-UHFFFAOYSA-N 2 1 277.412 2.302 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1=CC[NH+](CCC)CC1 ZINC001000758687 642648866 /nfs/dbraw/zinc/64/88/66/642648866.db2.gz YYDYHXFCOUVPKY-MRXNPFEDSA-N 2 1 293.455 2.019 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC1=CC[N@H+](CCC)CC1 ZINC001000758687 642648869 /nfs/dbraw/zinc/64/88/69/642648869.db2.gz YYDYHXFCOUVPKY-MRXNPFEDSA-N 2 1 293.455 2.019 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC1=CC[N@@H+](CCC)CC1 ZINC001000758687 642648873 /nfs/dbraw/zinc/64/88/73/642648873.db2.gz YYDYHXFCOUVPKY-MRXNPFEDSA-N 2 1 293.455 2.019 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2C[C@H](O)c3ccccc32)CC[N@H+]1C ZINC000850526370 642742530 /nfs/dbraw/zinc/74/25/30/642742530.db2.gz BOQDSSJSRTYCSK-MPTQWLOMSA-N 2 1 260.381 2.237 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)c3ccccc32)CCN1C ZINC000850526370 642742534 /nfs/dbraw/zinc/74/25/34/642742534.db2.gz BOQDSSJSRTYCSK-MPTQWLOMSA-N 2 1 260.381 2.237 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)c3ccccc32)CC[N@@H+]1C ZINC000850526370 642742538 /nfs/dbraw/zinc/74/25/38/642742538.db2.gz BOQDSSJSRTYCSK-MPTQWLOMSA-N 2 1 260.381 2.237 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)c3ccccc32)CC[N@H+]1C ZINC000850526370 642742541 /nfs/dbraw/zinc/74/25/41/642742541.db2.gz BOQDSSJSRTYCSK-MPTQWLOMSA-N 2 1 260.381 2.237 20 0 CEADMP Cc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)o1 ZINC000922385771 643057721 /nfs/dbraw/zinc/05/77/21/643057721.db2.gz DBPCZEBQWUSIDF-QBPKDAKJSA-N 2 1 292.423 2.157 20 0 CEADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccsc1)C2 ZINC000922390081 643058652 /nfs/dbraw/zinc/05/86/52/643058652.db2.gz XFURJJWYDHZCTD-FPCVCCKLSA-N 2 1 294.464 2.317 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@]12CCC[C@H]1OCC2 ZINC000922691857 643207979 /nfs/dbraw/zinc/20/79/79/643207979.db2.gz GXQPLWATLGRJOK-QKPAOTATSA-N 2 1 264.413 2.162 20 0 CEADMP C([C@@H]1CCC2(CCCCCC2)O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929312865 643209097 /nfs/dbraw/zinc/20/90/97/643209097.db2.gz NOEQNACDTJORNY-XHSDSOJGSA-N 2 1 278.440 2.410 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CC1(C)C ZINC000922716494 643222241 /nfs/dbraw/zinc/22/22/41/643222241.db2.gz AFRNXKSPTOQRGE-XGUBFFRZSA-N 2 1 264.413 2.040 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@]2(C)CCCCO2)CC1(C)C ZINC000922818415 643281744 /nfs/dbraw/zinc/28/17/44/643281744.db2.gz ROOKIVLSNCMRPJ-HIFRSBDPSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1ccc([C@H](O)C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000852108572 643312298 /nfs/dbraw/zinc/31/22/98/643312298.db2.gz HTNUGINYXKNDBL-QZTJIDSGSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000852108572 643312302 /nfs/dbraw/zinc/31/23/02/643312302.db2.gz HTNUGINYXKNDBL-QZTJIDSGSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000852108572 643312307 /nfs/dbraw/zinc/31/23/07/643312307.db2.gz HTNUGINYXKNDBL-QZTJIDSGSA-N 2 1 288.435 2.446 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@]23C[C@H]2CCC3)s1 ZINC000923023318 643517764 /nfs/dbraw/zinc/51/77/64/643517764.db2.gz XILDGFFUDZBMMP-ZWNOBZJWSA-N 2 1 251.399 2.237 20 0 CEADMP CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852754371 643537668 /nfs/dbraw/zinc/53/76/68/643537668.db2.gz UKQMTSLSKIJFSA-ZBFHGGJFSA-N 2 1 296.455 2.430 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCOC(F)F)[C@@H]1CCC[NH3+] ZINC000852760268 643540963 /nfs/dbraw/zinc/54/09/63/643540963.db2.gz XMXKHKLYKOSODT-GHMZBOCLSA-N 2 1 250.333 2.065 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC2SCCS2)CC[C@H]1[NH3+] ZINC000853022894 643624810 /nfs/dbraw/zinc/62/48/10/643624810.db2.gz GZQCQISEUBRRCD-GHMZBOCLSA-N 2 1 260.472 2.242 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000923290579 643643560 /nfs/dbraw/zinc/64/35/60/643643560.db2.gz ZNFTXUQTYBYBNS-PGUXBMHVSA-N 2 1 284.350 2.057 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000923290579 643643565 /nfs/dbraw/zinc/64/35/65/643643565.db2.gz ZNFTXUQTYBYBNS-PGUXBMHVSA-N 2 1 284.350 2.057 20 0 CEADMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923300465 643648294 /nfs/dbraw/zinc/64/82/94/643648294.db2.gz SSSZJCXVNJQHAG-MRXNPFEDSA-N 2 1 274.408 2.276 20 0 CEADMP COc1ccc([C@@H](C)[N@@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923300853 643649194 /nfs/dbraw/zinc/64/91/94/643649194.db2.gz LQPFQCLHIVQULG-CZUORRHYSA-N 2 1 290.407 2.067 20 0 CEADMP Fc1cccc(C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C2CC2)c1 ZINC000923303262 643650299 /nfs/dbraw/zinc/65/02/99/643650299.db2.gz AZLXTZYYFBVJNY-INIZCTEOSA-N 2 1 290.382 2.169 20 0 CEADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+](C1CC1)C1CCCCC1 ZINC000923304546 643651926 /nfs/dbraw/zinc/65/19/26/643651926.db2.gz YFSHEMCKYNSTKE-HNNXBMFYSA-N 2 1 264.413 2.162 20 0 CEADMP CC[N@@H+](Cc1c(F)cccc1F)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923313351 643653426 /nfs/dbraw/zinc/65/34/26/643653426.db2.gz WUBXKHVOADDHAD-GFCCVEGCSA-N 2 1 296.361 2.165 20 0 CEADMP CC[N@H+](Cc1c(F)cccc1F)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923313351 643653430 /nfs/dbraw/zinc/65/34/30/643653430.db2.gz WUBXKHVOADDHAD-GFCCVEGCSA-N 2 1 296.361 2.165 20 0 CEADMP CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923313557 643653452 /nfs/dbraw/zinc/65/34/52/643653452.db2.gz VRIZLVNYKPYPRI-AWEZNQCLSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316260 643654514 /nfs/dbraw/zinc/65/45/14/643654514.db2.gz GBNBDOBCZDIUOE-SOUVJXGZSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)C[C@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923316444 643655602 /nfs/dbraw/zinc/65/56/02/643655602.db2.gz JNOYJTRQUWWSBR-CABCVRRESA-N 2 1 266.429 2.123 20 0 CEADMP C[N@H+](CCC[NH2+]C1CC1)CCc1ccccc1F ZINC000923310379 643658393 /nfs/dbraw/zinc/65/83/93/643658393.db2.gz UVMBVSJFTIMXDL-UHFFFAOYSA-N 2 1 250.361 2.442 20 0 CEADMP C[N@@H+](CCC[NH2+]C1CC1)CCc1ccccc1F ZINC000923310379 643658398 /nfs/dbraw/zinc/65/83/98/643658398.db2.gz UVMBVSJFTIMXDL-UHFFFAOYSA-N 2 1 250.361 2.442 20 0 CEADMP CCc1nccn1[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923321003 643662662 /nfs/dbraw/zinc/66/26/62/643662662.db2.gz BEAQCPCASOGMPV-HNNXBMFYSA-N 2 1 276.428 2.225 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000923348514 643672335 /nfs/dbraw/zinc/67/23/35/643672335.db2.gz HBIWIHSPRLPMKW-LJQANCHMSA-N 2 1 298.430 2.441 20 0 CEADMP CC(C)CC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000923366048 643680996 /nfs/dbraw/zinc/68/09/96/643680996.db2.gz YUYGPGGKZPSMJF-JYJNAYRXSA-N 2 1 268.445 2.390 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000923366048 643681000 /nfs/dbraw/zinc/68/10/00/643681000.db2.gz YUYGPGGKZPSMJF-JYJNAYRXSA-N 2 1 268.445 2.390 20 0 CEADMP O[C@H](CCc1ccccc1)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923365543 643681167 /nfs/dbraw/zinc/68/11/67/643681167.db2.gz FVGGREKDFXGPHV-MSOLQXFVSA-N 2 1 288.435 2.056 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000923374824 643685530 /nfs/dbraw/zinc/68/55/30/643685530.db2.gz CXFTXAHJMAPWRK-KKUMJFAQSA-N 2 1 256.434 2.234 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C[C@@H]1O)c1ccc(Cl)cc1Cl ZINC000923376282 643686365 /nfs/dbraw/zinc/68/63/65/643686365.db2.gz KMJQZABGRORWGS-RUNRMZSQSA-N 2 1 289.206 2.495 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@@H](O)Cc1ccccc1)CC[NH2+]CC2 ZINC000923382590 643688780 /nfs/dbraw/zinc/68/87/80/643688780.db2.gz DEVDOLOSOGONNV-WBVHZDCISA-N 2 1 288.435 2.054 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000923389896 643689835 /nfs/dbraw/zinc/68/98/35/643689835.db2.gz ZZEMWJSCJPXAIE-KKUMJFAQSA-N 2 1 256.434 2.233 20 0 CEADMP c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)cc1 ZINC000923386524 643692526 /nfs/dbraw/zinc/69/25/26/643692526.db2.gz GVVGJCUDXJGHFS-SJORKVTESA-N 2 1 286.419 2.245 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)C2 ZINC000923387733 643692565 /nfs/dbraw/zinc/69/25/65/643692565.db2.gz KZBJVLJSAVEBGR-MAZHCROVSA-N 2 1 296.361 2.059 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)C2 ZINC000923387733 643692567 /nfs/dbraw/zinc/69/25/67/643692567.db2.gz KZBJVLJSAVEBGR-MAZHCROVSA-N 2 1 296.361 2.059 20 0 CEADMP O[C@@H](C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000923429181 643708345 /nfs/dbraw/zinc/70/83/45/643708345.db2.gz XFANHODHDIJMPB-IRXDYDNUSA-N 2 1 292.398 2.325 20 0 CEADMP CCc1ccc2ccccc2c1C[N@H+]1CCNCC[NH2+]CC1 ZINC000923459991 643722455 /nfs/dbraw/zinc/72/24/55/643722455.db2.gz JIAQPXPBUMUXAJ-UHFFFAOYSA-N 2 1 297.446 2.397 20 0 CEADMP CCCCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487483 643730046 /nfs/dbraw/zinc/73/00/46/643730046.db2.gz DKPJQPXPOPYAMJ-CABCVRRESA-N 2 1 283.460 2.132 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923487671 643730615 /nfs/dbraw/zinc/73/06/15/643730615.db2.gz GCYKNCAYFYUNGT-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP Cc1sc(NC(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)c(C)c1C ZINC000923483101 643732209 /nfs/dbraw/zinc/73/22/09/643732209.db2.gz XTTBADXXIZRMMN-CYBMUJFWSA-N 2 1 295.452 2.283 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@H]1C[NH3+] ZINC000923496157 643733777 /nfs/dbraw/zinc/73/37/77/643733777.db2.gz HGSFNUWEZPFEBX-ZBFHGGJFSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3c2CCOC3)CC[C@H]1C[NH3+] ZINC000923489304 643734823 /nfs/dbraw/zinc/73/48/23/643734823.db2.gz ILXRRAMONULMGT-KBPBESRZSA-N 2 1 274.408 2.176 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ncccc2Br)CC[C@H]1C[NH3+] ZINC000923488357 643735411 /nfs/dbraw/zinc/73/54/11/643735411.db2.gz DTVIELMJOKNYKG-QWRGUYRKSA-N 2 1 298.228 2.261 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923492050 643736143 /nfs/dbraw/zinc/73/61/43/643736143.db2.gz MVUYJLOYIOLKKA-ZFWWWQNUSA-N 2 1 289.423 2.247 20 0 CEADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(C)n1 ZINC000923492947 643737101 /nfs/dbraw/zinc/73/71/01/643737101.db2.gz ZQCYXNJICARIJP-WFASDCNBSA-N 2 1 261.413 2.424 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(Cl)n1 ZINC000923494810 643738614 /nfs/dbraw/zinc/73/86/14/643738614.db2.gz OXUCQTLGLBASRJ-JQWIXIFHSA-N 2 1 267.804 2.460 20 0 CEADMP CCc1ccccc1NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503414 643739066 /nfs/dbraw/zinc/73/90/66/643739066.db2.gz HZKCPHMASLNGEI-UKRRQHHQSA-N 2 1 289.423 2.104 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccnc(Cl)c2)CC[C@H]1C[NH3+] ZINC000923497802 643739374 /nfs/dbraw/zinc/73/93/74/643739374.db2.gz FSVCKTASYLKKBH-JQWIXIFHSA-N 2 1 253.777 2.152 20 0 CEADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497232 643739825 /nfs/dbraw/zinc/73/98/25/643739825.db2.gz ATLWDPWXOARFSY-KBPBESRZSA-N 2 1 262.397 2.420 20 0 CEADMP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)no1 ZINC000923503373 643741867 /nfs/dbraw/zinc/74/18/67/643741867.db2.gz KDOBOIUDMVAMHM-ZDUSSCGKSA-N 2 1 263.385 2.276 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)CC[C@H]1C[NH3+] ZINC000923501884 643741881 /nfs/dbraw/zinc/74/18/81/643741881.db2.gz WLSKDDGJIVFAJV-PWSUYJOCSA-N 2 1 254.324 2.382 20 0 CEADMP Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923509249 643744992 /nfs/dbraw/zinc/74/49/92/643744992.db2.gz OHKILXQXSKXCRA-LSDHHAIUSA-N 2 1 289.423 2.159 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1C ZINC000923510978 643746406 /nfs/dbraw/zinc/74/64/06/643746406.db2.gz YUFUZBAMOJGQKQ-HUUCEWRRSA-N 2 1 289.423 2.159 20 0 CEADMP Cc1ccccc1CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517605 643748303 /nfs/dbraw/zinc/74/83/03/643748303.db2.gz FQGUKVJTLWDXRM-DLBZAZTESA-N 2 1 258.409 2.469 20 0 CEADMP CC(C)C[C@@H]1CN(C)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000923553339 643758997 /nfs/dbraw/zinc/75/89/97/643758997.db2.gz HJWXGHIIKCMNPY-HZPDHXFCSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)c1nccc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000853773491 643898665 /nfs/dbraw/zinc/89/86/65/643898665.db2.gz FUYGOQSXHNWTCH-AWEZNQCLSA-N 2 1 293.459 2.284 20 0 CEADMP CC(C)c1nccc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000853773491 643898671 /nfs/dbraw/zinc/89/86/71/643898671.db2.gz FUYGOQSXHNWTCH-AWEZNQCLSA-N 2 1 293.459 2.284 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)OC ZINC000877738857 650881229 /nfs/dbraw/zinc/88/12/29/650881229.db2.gz DKOBYZCLIIKMBJ-AJNGGQMLSA-N 2 1 254.418 2.074 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)OC ZINC000877738857 650881235 /nfs/dbraw/zinc/88/12/35/650881235.db2.gz DKOBYZCLIIKMBJ-AJNGGQMLSA-N 2 1 254.418 2.074 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)OC ZINC000877738857 650881241 /nfs/dbraw/zinc/88/12/41/650881241.db2.gz DKOBYZCLIIKMBJ-AJNGGQMLSA-N 2 1 254.418 2.074 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877741299 650884108 /nfs/dbraw/zinc/88/41/08/650884108.db2.gz AKVGCAPFTBTUGI-ZBFHGGJFSA-N 2 1 260.381 2.221 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877741299 650884114 /nfs/dbraw/zinc/88/41/14/650884114.db2.gz AKVGCAPFTBTUGI-ZBFHGGJFSA-N 2 1 260.381 2.221 20 0 CEADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877741299 650884116 /nfs/dbraw/zinc/88/41/16/650884116.db2.gz AKVGCAPFTBTUGI-ZBFHGGJFSA-N 2 1 260.381 2.221 20 0 CEADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877741299 650884118 /nfs/dbraw/zinc/88/41/18/650884118.db2.gz AKVGCAPFTBTUGI-ZBFHGGJFSA-N 2 1 260.381 2.221 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000838818016 644029130 /nfs/dbraw/zinc/02/91/30/644029130.db2.gz UAWYBQPMSZKDGS-DOTOQJQBSA-N 2 1 280.456 2.345 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000838818021 644029378 /nfs/dbraw/zinc/02/93/78/644029378.db2.gz UAWYBQPMSZKDGS-NVXWUHKLSA-N 2 1 280.456 2.345 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCC3CCOCC3)CC[C@@H]21 ZINC000877742218 650886144 /nfs/dbraw/zinc/88/61/44/650886144.db2.gz OMUKANAHWRYJGW-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCC3CCOCC3)CC[C@@H]21 ZINC000877742218 650886146 /nfs/dbraw/zinc/88/61/46/650886146.db2.gz OMUKANAHWRYJGW-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCC3CCOCC3)CC[C@@H]21 ZINC000877742218 650886151 /nfs/dbraw/zinc/88/61/51/650886151.db2.gz OMUKANAHWRYJGW-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC3CCOCC3)CC[C@@H]21 ZINC000877742218 650886154 /nfs/dbraw/zinc/88/61/54/650886154.db2.gz OMUKANAHWRYJGW-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000839064874 644137113 /nfs/dbraw/zinc/13/71/13/644137113.db2.gz YAFPNEKVJXGIIT-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP CCc1nn(C)c(Cl)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839179890 644181203 /nfs/dbraw/zinc/18/12/03/644181203.db2.gz ANJFTPLIDZHZRQ-LBPRGKRZSA-N 2 1 298.862 2.457 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)ncc2F)C1 ZINC000839182808 644182059 /nfs/dbraw/zinc/18/20/59/644182059.db2.gz PNWSLKZWHUDKAE-NSHDSACASA-N 2 1 269.339 2.181 20 0 CEADMP CC(C)C[N@H+](Cc1cn[nH]c1)CC1CC[NH+](C)CC1 ZINC000877767552 650903460 /nfs/dbraw/zinc/90/34/60/650903460.db2.gz NEGADZKPPFLLAH-UHFFFAOYSA-N 2 1 264.417 2.210 20 0 CEADMP CC1CC(C[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000856809744 644732745 /nfs/dbraw/zinc/73/27/45/644732745.db2.gz FJHVKYNFNXZRCN-UHFFFAOYSA-N 2 1 253.415 2.340 20 0 CEADMP Cc1conc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000877969046 650961666 /nfs/dbraw/zinc/96/16/66/650961666.db2.gz VJADRMSCCKHSMT-UHFFFAOYSA-N 2 1 263.385 2.291 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000758204324 644898815 /nfs/dbraw/zinc/89/88/15/644898815.db2.gz WNGUAUVMMVYACL-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000758204324 644898817 /nfs/dbraw/zinc/89/88/17/644898817.db2.gz WNGUAUVMMVYACL-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000758204324 644898819 /nfs/dbraw/zinc/89/88/19/644898819.db2.gz WNGUAUVMMVYACL-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP C([C@H]1CC2(CCC2)CO1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000878126297 651008084 /nfs/dbraw/zinc/00/80/84/651008084.db2.gz WRMPTVTVEATNAN-JKSUJKDBSA-N 2 1 278.440 2.363 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000878121516 651005937 /nfs/dbraw/zinc/00/59/37/651005937.db2.gz SKEICMDAQGZURN-OAGGEKHMSA-N 2 1 266.429 2.362 20 0 CEADMP Cc1[nH+]ccn1CCCN(C)Cc1cc(Cl)n(C)n1 ZINC000859201327 645415830 /nfs/dbraw/zinc/41/58/30/645415830.db2.gz GCXTVLFVRMKBAD-UHFFFAOYSA-N 2 1 281.791 2.101 20 0 CEADMP CC(C)[C@@H](O)CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000878549808 651127387 /nfs/dbraw/zinc/12/73/87/651127387.db2.gz POHRMZHWNCIONQ-HNNXBMFYSA-N 2 1 268.445 2.201 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc(F)c3)CC[C@@H]21 ZINC000764683040 645674698 /nfs/dbraw/zinc/67/46/98/645674698.db2.gz KOOQVLZEJNCRAC-HYVNUMGLSA-N 2 1 292.398 2.275 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc(F)c3)CC[C@@H]21 ZINC000764683040 645674699 /nfs/dbraw/zinc/67/46/99/645674699.db2.gz KOOQVLZEJNCRAC-HYVNUMGLSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3cccc(F)c3)CC[C@@H]21 ZINC000764683040 645674700 /nfs/dbraw/zinc/67/47/00/645674700.db2.gz KOOQVLZEJNCRAC-HYVNUMGLSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc(F)c3)CC[C@@H]21 ZINC000764683040 645674701 /nfs/dbraw/zinc/67/47/01/645674701.db2.gz KOOQVLZEJNCRAC-HYVNUMGLSA-N 2 1 292.398 2.275 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H](C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000765255013 645748970 /nfs/dbraw/zinc/74/89/70/645748970.db2.gz NYXXQYOKRVDYOV-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CCCCC2)[C@H](C)C1 ZINC000765255013 645748972 /nfs/dbraw/zinc/74/89/72/645748972.db2.gz NYXXQYOKRVDYOV-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CCCCC2)[C@H](C)C1 ZINC000765255013 645748974 /nfs/dbraw/zinc/74/89/74/645748974.db2.gz NYXXQYOKRVDYOV-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1F ZINC000765293064 645753386 /nfs/dbraw/zinc/75/33/86/645753386.db2.gz ZGTTWGMWJHVPRC-DZGCQCFKSA-N 2 1 280.387 2.241 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1(C)CC1 ZINC000765975823 645829971 /nfs/dbraw/zinc/82/99/71/645829971.db2.gz LDDBNZRPCCTMRO-UKRRQHHQSA-N 2 1 266.429 2.408 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000768840187 646171856 /nfs/dbraw/zinc/17/18/56/646171856.db2.gz ARIFACXCUBJVEN-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000768840187 646171860 /nfs/dbraw/zinc/17/18/60/646171860.db2.gz ARIFACXCUBJVEN-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000768840187 646171863 /nfs/dbraw/zinc/17/18/63/646171863.db2.gz ARIFACXCUBJVEN-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000768840187 646171866 /nfs/dbraw/zinc/17/18/66/646171866.db2.gz ARIFACXCUBJVEN-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP COC1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000774212256 646819517 /nfs/dbraw/zinc/81/95/17/646819517.db2.gz HBAXERXOXPCFIK-OZEOOWDWSA-N 2 1 266.429 2.406 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[NH+](C)C1CCC1 ZINC000863859493 646837830 /nfs/dbraw/zinc/83/78/30/646837830.db2.gz FGOYIYIJBOFJTF-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CN(CC[NH+](C)C1CCCCC1)C(=O)C[N@H+](C)C1CCC1 ZINC000863859493 646837831 /nfs/dbraw/zinc/83/78/31/646837831.db2.gz FGOYIYIJBOFJTF-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CN(CC[NH+](C)C1CCCCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC000863859493 646837832 /nfs/dbraw/zinc/83/78/32/646837832.db2.gz FGOYIYIJBOFJTF-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000864054937 646874878 /nfs/dbraw/zinc/87/48/78/646874878.db2.gz DXAKANCCOCBNML-CABCVRRESA-N 2 1 273.380 2.005 20 0 CEADMP C[C@H]([NH2+][C@H](CO)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775523285 646962858 /nfs/dbraw/zinc/96/28/58/646962858.db2.gz HKWROLYMQLCJLJ-BMGDILEWSA-N 2 1 288.435 2.258 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865443807 647296161 /nfs/dbraw/zinc/29/61/61/647296161.db2.gz NHXPRCJRZHBDPA-JEYLPNPQSA-N 2 1 283.460 2.001 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865443807 647296164 /nfs/dbraw/zinc/29/61/64/647296164.db2.gz NHXPRCJRZHBDPA-JEYLPNPQSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@H](CCO)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000779400211 647318973 /nfs/dbraw/zinc/31/89/73/647318973.db2.gz QZLIMRPXRXFRHM-HUUCEWRRSA-N 2 1 264.413 2.258 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1N[C@@H]1CCc2c[nH+]cn2C1 ZINC000865794899 647466238 /nfs/dbraw/zinc/46/62/38/647466238.db2.gz YORBZOARKJRHLW-SECBINFHSA-N 2 1 282.269 2.146 20 0 CEADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000865875451 647517127 /nfs/dbraw/zinc/51/71/27/647517127.db2.gz PDPUDKHRQQTDOS-BZUAXINKSA-N 2 1 266.429 2.144 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1C ZINC000782194457 647599630 /nfs/dbraw/zinc/59/96/30/647599630.db2.gz YPWLDCDWPLOTLN-XJKSGUPXSA-N 2 1 291.439 2.479 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1C ZINC000782194457 647599632 /nfs/dbraw/zinc/59/96/32/647599632.db2.gz YPWLDCDWPLOTLN-XJKSGUPXSA-N 2 1 291.439 2.479 20 0 CEADMP Cc1c[nH+]ccc1NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000866195591 647660900 /nfs/dbraw/zinc/66/09/00/647660900.db2.gz YCRKZANKLBWAFL-INIZCTEOSA-N 2 1 253.349 2.411 20 0 CEADMP Cc1cccc(C[C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000866244611 647691390 /nfs/dbraw/zinc/69/13/90/647691390.db2.gz QWXUENSGZKFJOB-MRXNPFEDSA-N 2 1 290.451 2.362 20 0 CEADMP Cc1cccc(C[C@@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000866342006 647745770 /nfs/dbraw/zinc/74/57/70/647745770.db2.gz QXAOTQOKMUAFNA-CQSZACIVSA-N 2 1 257.381 2.492 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCSC2)[C@H](C)C1 ZINC000866401656 647774803 /nfs/dbraw/zinc/77/48/03/647774803.db2.gz CXLITAZXJQOWPB-MCIONIFRSA-N 2 1 256.459 2.450 20 0 CEADMP C(C[C@@H]1CCSC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000866403835 647775999 /nfs/dbraw/zinc/77/59/99/647775999.db2.gz RMPRWOVHFKGTFT-ZBFHGGJFSA-N 2 1 298.496 2.363 20 0 CEADMP Cc1ccc([C@H]2CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000784478381 647854285 /nfs/dbraw/zinc/85/42/85/647854285.db2.gz UPXZWUJZBNXKFG-ROUUACIJSA-N 2 1 288.435 2.241 20 0 CEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866697065 647872625 /nfs/dbraw/zinc/87/26/25/647872625.db2.gz FCARTXXMYAQQJC-HOCLYGCPSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)N1CCC[C@@H]([N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866706634 647878287 /nfs/dbraw/zinc/87/82/87/647878287.db2.gz PRTVTSHFJFSWLM-PBHICJAKSA-N 2 1 295.471 2.083 20 0 CEADMP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708580 647878611 /nfs/dbraw/zinc/87/86/11/647878611.db2.gz RUWNBRIMDBFVRZ-WFASDCNBSA-N 2 1 270.417 2.025 20 0 CEADMP CCOC(=O)[C@H](CC)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708580 647878614 /nfs/dbraw/zinc/87/86/14/647878614.db2.gz RUWNBRIMDBFVRZ-WFASDCNBSA-N 2 1 270.417 2.025 20 0 CEADMP CCc1nocc1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709699 647879167 /nfs/dbraw/zinc/87/91/67/647879167.db2.gz YZJDZXMNPVNDGS-OAHLLOKOSA-N 2 1 265.401 2.434 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000788504147 648195410 /nfs/dbraw/zinc/19/54/10/648195410.db2.gz BGSILSLJVCUSEN-GFCCVEGCSA-N 2 1 251.374 2.168 20 0 CEADMP Cc1[nH+]ccn1CCCCOC(=O)c1ccc2c[nH+]cn2c1 ZINC000792563040 648655172 /nfs/dbraw/zinc/65/51/72/648655172.db2.gz BAQWAJGVBQPDSA-UHFFFAOYSA-N 2 1 298.346 2.476 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870867601 648937809 /nfs/dbraw/zinc/93/78/09/648937809.db2.gz SHSGFNHBZAYGRZ-BZUAXINKSA-N 2 1 295.471 2.275 20 0 CEADMP Cc1cnc([C@@H](C)O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000871786008 649185364 /nfs/dbraw/zinc/18/53/64/649185364.db2.gz QAGLKAGZPKAFBE-ODWCKFRGSA-N 2 1 292.383 2.415 20 0 CEADMP Cc1cnc([C@@H](C)O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000871786008 649185366 /nfs/dbraw/zinc/18/53/66/649185366.db2.gz QAGLKAGZPKAFBE-ODWCKFRGSA-N 2 1 292.383 2.415 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(O)c1F ZINC000872053544 649255773 /nfs/dbraw/zinc/25/57/73/649255773.db2.gz LARKYDQMCVTBEA-LLVKDONJSA-N 2 1 264.344 2.444 20 0 CEADMP O[C@H]1C[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000872126952 649285516 /nfs/dbraw/zinc/28/55/16/649285516.db2.gz UGAKPPTUZSDJNJ-SAABIXHNSA-N 2 1 288.435 2.054 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC2(CCC2)CO1)C1CC[NH2+]CC1 ZINC000872141787 649291128 /nfs/dbraw/zinc/29/11/28/649291128.db2.gz SZLVPFOXHLOOOE-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP COC(=O)c1cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc1C ZINC000872141743 649291501 /nfs/dbraw/zinc/29/15/01/649291501.db2.gz RPBHPGFFUMELNK-UHFFFAOYSA-N 2 1 278.396 2.198 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000872142817 649292331 /nfs/dbraw/zinc/29/23/31/649292331.db2.gz FDTTUMBFBUUTNL-KGLIPLIRSA-N 2 1 252.402 2.149 20 0 CEADMP CC(=O)Nc1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000872153492 649297164 /nfs/dbraw/zinc/29/71/64/649297164.db2.gz DCOREXJJVDSFKB-UHFFFAOYSA-N 2 1 287.407 2.003 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCCOc1ccccc1)C2 ZINC000872153213 649297256 /nfs/dbraw/zinc/29/72/56/649297256.db2.gz CAQGBAULXSSDAF-DOTOQJQBSA-N 2 1 274.408 2.387 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)CO2)C[C@@H]1C(F)(F)F ZINC000872148830 649297407 /nfs/dbraw/zinc/29/74/07/649297407.db2.gz IBJWJMSMVHGWRH-WOPDTQHZSA-N 2 1 292.345 2.015 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC3(CCC3)CO2)C[C@@H]1C(F)(F)F ZINC000872148830 649297412 /nfs/dbraw/zinc/29/74/12/649297412.db2.gz IBJWJMSMVHGWRH-WOPDTQHZSA-N 2 1 292.345 2.015 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CC(=O)N1CCc2ccccc21 ZINC000872154890 649298632 /nfs/dbraw/zinc/29/86/32/649298632.db2.gz DPNLOKJSCYWCPR-UHFFFAOYSA-N 2 1 289.423 2.027 20 0 CEADMP COCC1([N@@H+](C)C[C@H](C[NH3+])c2ccc(OC)cc2)CCC1 ZINC000872157904 649300705 /nfs/dbraw/zinc/30/07/05/649300705.db2.gz URDWOKRNBUGZPV-HNNXBMFYSA-N 2 1 292.423 2.238 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc2c(s1)CC[NH2+]C2 ZINC000873201917 649586282 /nfs/dbraw/zinc/58/62/82/649586282.db2.gz PLBDFZONOWVTFH-AGUYFDCRSA-N 3 1 291.464 2.238 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cc2c(s1)CC[NH2+]C2 ZINC000873201917 649586283 /nfs/dbraw/zinc/58/62/83/649586283.db2.gz PLBDFZONOWVTFH-AGUYFDCRSA-N 2 1 291.464 2.238 20 0 CEADMP CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@H]1CCOC1 ZINC000873202783 649587326 /nfs/dbraw/zinc/58/73/26/649587326.db2.gz DAKKPICRXIXTCS-GFCCVEGCSA-N 2 1 280.437 2.252 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206954 649588571 /nfs/dbraw/zinc/58/85/71/649588571.db2.gz GVDWRZVRRQQSFK-CYBMUJFWSA-N 2 1 293.480 2.167 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206954 649588574 /nfs/dbraw/zinc/58/85/74/649588574.db2.gz GVDWRZVRRQQSFK-CYBMUJFWSA-N 3 1 293.480 2.167 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206954 649588578 /nfs/dbraw/zinc/58/85/78/649588578.db2.gz GVDWRZVRRQQSFK-CYBMUJFWSA-N 3 1 293.480 2.167 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206954 649588583 /nfs/dbraw/zinc/58/85/83/649588583.db2.gz GVDWRZVRRQQSFK-CYBMUJFWSA-N 3 1 293.480 2.167 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206954 649588586 /nfs/dbraw/zinc/58/85/86/649588586.db2.gz GVDWRZVRRQQSFK-CYBMUJFWSA-N 3 1 293.480 2.167 20 0 CEADMP C[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](C2CC2)O1 ZINC000873209720 649590879 /nfs/dbraw/zinc/59/08/79/649590879.db2.gz SSRZGTIAAHIUMP-NHYWBVRUSA-N 2 1 292.448 2.393 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](C2CC2)O1 ZINC000873209720 649590882 /nfs/dbraw/zinc/59/08/82/649590882.db2.gz SSRZGTIAAHIUMP-NHYWBVRUSA-N 2 1 292.448 2.393 20 0 CEADMP C[C@H](O)c1ncc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223662 649597989 /nfs/dbraw/zinc/59/79/89/649597989.db2.gz QSJZVKXHSAUXLB-XHDPSFHLSA-N 2 1 297.468 2.393 20 0 CEADMP C[C@H](O)c1ncc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223662 649597990 /nfs/dbraw/zinc/59/79/90/649597990.db2.gz QSJZVKXHSAUXLB-XHDPSFHLSA-N 2 1 297.468 2.393 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCC(C)(C)CN1 ZINC000873236195 649604303 /nfs/dbraw/zinc/60/43/03/649604303.db2.gz YIXBOYYLLMETPJ-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(N)cc(F)c1 ZINC000873290538 649629102 /nfs/dbraw/zinc/62/91/02/649629102.db2.gz REZVGXDGPINMER-YVEFUNNKSA-N 2 1 287.382 2.456 20 0 CEADMP CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1CCCC[C@@H]1C ZINC000878474671 651106145 /nfs/dbraw/zinc/10/61/45/651106145.db2.gz DDWFMERZPTVWDZ-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)CO2)CCO1 ZINC000879000269 651225690 /nfs/dbraw/zinc/22/56/90/651225690.db2.gz APTQQRWWUKMAHY-CVEARBPZSA-N 2 1 298.471 2.234 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)CO2)CCO1 ZINC000879000269 651225692 /nfs/dbraw/zinc/22/56/92/651225692.db2.gz APTQQRWWUKMAHY-CVEARBPZSA-N 2 1 298.471 2.234 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)CCO1 ZINC000879000746 651226360 /nfs/dbraw/zinc/22/63/60/651226360.db2.gz IVNMDSIVDXWKCP-CVEARBPZSA-N 2 1 298.471 2.377 20 0 CEADMP COCC[N@@H+](CC1CC(F)(F)C1)CC1CC[NH+](C)CC1 ZINC000879127165 651247262 /nfs/dbraw/zinc/24/72/62/651247262.db2.gz SNMWRPWPECMOIL-UHFFFAOYSA-N 2 1 290.398 2.322 20 0 CEADMP CC[C@@](C)([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000879127650 651247532 /nfs/dbraw/zinc/24/75/32/651247532.db2.gz APLHDZHWXUQYMJ-IAGOWNOFSA-N 2 1 294.414 2.497 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCOCC3CCCC3)CC[C@H]21 ZINC000879579310 651325603 /nfs/dbraw/zinc/32/56/03/651325603.db2.gz KUZLJVNHZMFQBH-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCOCC3CCCC3)CC[C@H]21 ZINC000879579310 651325601 /nfs/dbraw/zinc/32/56/01/651325601.db2.gz KUZLJVNHZMFQBH-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCOCC3CCCC3)CC[C@H]21 ZINC000879579310 651325605 /nfs/dbraw/zinc/32/56/05/651325605.db2.gz KUZLJVNHZMFQBH-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCOCC3CCCC3)CC[C@H]21 ZINC000879579310 651325607 /nfs/dbraw/zinc/32/56/07/651325607.db2.gz KUZLJVNHZMFQBH-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCN3CCc4ccccc43)CC[C@@H]21 ZINC000879579906 651326221 /nfs/dbraw/zinc/32/62/21/651326221.db2.gz QCELRZFJPOIRMU-IRXDYDNUSA-N 2 1 285.435 2.075 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCN3CCc4ccccc43)CC[C@@H]21 ZINC000879579906 651326222 /nfs/dbraw/zinc/32/62/22/651326222.db2.gz QCELRZFJPOIRMU-IRXDYDNUSA-N 2 1 285.435 2.075 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCN3CCc4ccccc43)CC[C@@H]21 ZINC000879579906 651326224 /nfs/dbraw/zinc/32/62/24/651326224.db2.gz QCELRZFJPOIRMU-IRXDYDNUSA-N 2 1 285.435 2.075 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(F)(F)C3)CC[C@H]21 ZINC000879580069 651326402 /nfs/dbraw/zinc/32/64/02/651326402.db2.gz FCAMMDVMCGIQKA-JHJVBQTASA-N 2 1 258.356 2.448 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCC(F)(F)C3)CC[C@H]21 ZINC000879580069 651326404 /nfs/dbraw/zinc/32/64/04/651326404.db2.gz FCAMMDVMCGIQKA-JHJVBQTASA-N 2 1 258.356 2.448 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)CC[C@H]21 ZINC000879580069 651326405 /nfs/dbraw/zinc/32/64/05/651326405.db2.gz FCAMMDVMCGIQKA-JHJVBQTASA-N 2 1 258.356 2.448 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)CC[C@H]21 ZINC000879580069 651326406 /nfs/dbraw/zinc/32/64/06/651326406.db2.gz FCAMMDVMCGIQKA-JHJVBQTASA-N 2 1 258.356 2.448 20 0 CEADMP CC(C)C[N@@H+](CCC(=O)NC(C)C)CC1CC[NH+](C)CC1 ZINC000879702670 651341595 /nfs/dbraw/zinc/34/15/95/651341595.db2.gz ULXZJZRIDHOFPK-UHFFFAOYSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)C[N@@H+](CC[C@H]1CCOC1=O)CC1CC[NH+](C)CC1 ZINC000879704085 651341612 /nfs/dbraw/zinc/34/16/12/651341612.db2.gz KQWMUJIWJYRYAH-INIZCTEOSA-N 2 1 296.455 2.239 20 0 CEADMP CCC[C@H](O)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950799 651364091 /nfs/dbraw/zinc/36/40/91/651364091.db2.gz CSRXTQNHBGSNNA-HNNXBMFYSA-N 2 1 268.445 2.488 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879962758 651367581 /nfs/dbraw/zinc/36/75/81/651367581.db2.gz AUWJBSMUKOVXJU-CQSZACIVSA-N 2 1 256.434 2.201 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000880136841 651389785 /nfs/dbraw/zinc/38/97/85/651389785.db2.gz SXUFKPQRJAXLIE-JKSUJKDBSA-N 2 1 275.396 2.067 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000880136841 651389786 /nfs/dbraw/zinc/38/97/86/651389786.db2.gz SXUFKPQRJAXLIE-JKSUJKDBSA-N 2 1 275.396 2.067 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880222712 651402952 /nfs/dbraw/zinc/40/29/52/651402952.db2.gz CSQFZXSZUYKBSY-CALCHBBNSA-N 2 1 285.391 2.221 20 0 CEADMP Cc1cnc([C@@H](C)[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cn1 ZINC000880258585 651411117 /nfs/dbraw/zinc/41/11/17/651411117.db2.gz ISEBKQQNYKKVCX-HUUCEWRRSA-N 2 1 297.406 2.452 20 0 CEADMP Cc1cnc([C@@H](C)[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cn1 ZINC000880258585 651411119 /nfs/dbraw/zinc/41/11/19/651411119.db2.gz ISEBKQQNYKKVCX-HUUCEWRRSA-N 2 1 297.406 2.452 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CCO1 ZINC000880259610 651411568 /nfs/dbraw/zinc/41/15/68/651411568.db2.gz XBTIJUITHYJFAV-IIAWOOMASA-N 2 1 275.396 2.160 20 0 CEADMP CO[C@@H]1CC[C@@H]([N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000880259083 651411783 /nfs/dbraw/zinc/41/17/83/651411783.db2.gz MIXGTTVHRBAONJ-FVQBIDKESA-N 2 1 275.396 2.160 20 0 CEADMP C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CCN1c1cc[nH+]cc1 ZINC000880259492 651411809 /nfs/dbraw/zinc/41/18/09/651411809.db2.gz UNMMSLCLYNGITI-TZMCWYRMSA-N 2 1 297.349 2.016 20 0 CEADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CCN1c1cc[nH+]cc1 ZINC000880259492 651411810 /nfs/dbraw/zinc/41/18/10/651411810.db2.gz UNMMSLCLYNGITI-TZMCWYRMSA-N 2 1 297.349 2.016 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)o1 ZINC000880261688 651412750 /nfs/dbraw/zinc/41/27/50/651412750.db2.gz YJOJJCYADAKOKA-GFCCVEGCSA-N 2 1 286.379 2.397 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)o1 ZINC000880261688 651412751 /nfs/dbraw/zinc/41/27/51/651412751.db2.gz YJOJJCYADAKOKA-GFCCVEGCSA-N 2 1 286.379 2.397 20 0 CEADMP C[C@]1(c2ccccc2)CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000880371350 651430881 /nfs/dbraw/zinc/43/08/81/651430881.db2.gz GCUOGWFINYFULO-ZWKOTPCHSA-N 2 1 288.435 2.454 20 0 CEADMP C[C@]1(c2ccccc2)CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000880371350 651430882 /nfs/dbraw/zinc/43/08/82/651430882.db2.gz GCUOGWFINYFULO-ZWKOTPCHSA-N 2 1 288.435 2.454 20 0 CEADMP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000880473620 651447040 /nfs/dbraw/zinc/44/70/40/651447040.db2.gz KKRLORPRGIOADS-QGZVFWFLSA-N 2 1 288.435 2.150 20 0 CEADMP C[NH+](C)CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882948914 652284701 /nfs/dbraw/zinc/28/47/01/652284701.db2.gz RKWAZGOBUZTQOX-UHFFFAOYSA-N 2 1 275.396 2.173 20 0 CEADMP C1=C[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000883245431 652413460 /nfs/dbraw/zinc/41/34/60/652413460.db2.gz LJXUQSFZXIWWSN-ZBFHGGJFSA-N 2 1 264.413 2.186 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H](OC)C2)[C@@H](C)C1 ZINC000883270236 652419750 /nfs/dbraw/zinc/41/97/50/652419750.db2.gz IZVRBMJYUAHBAA-QAETUUGQSA-N 2 1 298.471 2.138 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC3(COC3)CC2)[C@@H](C)C1 ZINC000883378475 652449836 /nfs/dbraw/zinc/44/98/36/652449836.db2.gz NAAQOYYTYMVRDU-ZFWWWQNUSA-N 2 1 266.429 2.266 20 0 CEADMP FC1(F)CCC[C@@H]1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000883427984 652466585 /nfs/dbraw/zinc/46/65/85/652466585.db2.gz IJFIBCIWYRJEKX-YNEHKIRRSA-N 2 1 258.356 2.496 20 0 CEADMP FC1(F)CCC[C@@H]1CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000883427984 652466588 /nfs/dbraw/zinc/46/65/88/652466588.db2.gz IJFIBCIWYRJEKX-YNEHKIRRSA-N 2 1 258.356 2.496 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000883447458 652473256 /nfs/dbraw/zinc/47/32/56/652473256.db2.gz CCMWJYTVLDPLQC-CYBMUJFWSA-N 2 1 294.361 2.419 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000883460665 652477575 /nfs/dbraw/zinc/47/75/75/652477575.db2.gz CRHMVAFLVDJBGK-OAHLLOKOSA-N 2 1 280.437 2.142 20 0 CEADMP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000884189582 652746631 /nfs/dbraw/zinc/74/66/31/652746631.db2.gz ISLWXWDTLICOIY-HNNXBMFYSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000884188687 652747030 /nfs/dbraw/zinc/74/70/30/652747030.db2.gz NMILPAGTWGBVCG-KFWWJZLASA-N 2 1 297.487 2.375 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000884225389 652757648 /nfs/dbraw/zinc/75/76/48/652757648.db2.gz QHFGSNMMQCSVJA-DKUMPPAJSA-N 2 1 295.471 2.127 20 0 CEADMP Cc1n[nH]c(C[NH2+]CCC[NH+]2CCC(C)CC2)c1C ZINC000885903259 653066805 /nfs/dbraw/zinc/06/68/05/653066805.db2.gz LJBGGNBFYQKBOW-UHFFFAOYSA-N 2 1 264.417 2.238 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ncccc1C[NH+]1CCCC1 ZINC001164635813 719254064 /nfs/dbraw/zinc/25/40/64/719254064.db2.gz QNWURWHLQNDCDG-LSDHHAIUSA-N 2 1 288.439 2.206 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCO)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008634 805678355 /nfs/dbraw/zinc/67/83/55/805678355.db2.gz XOIFVUMOENGCDY-SCAQPMJSSA-N 2 1 276.424 2.400 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]CCC2CC2)CC1 ZINC001203442825 805822338 /nfs/dbraw/zinc/82/23/38/805822338.db2.gz ONKCXXWSSBPLPB-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271311176 805911462 /nfs/dbraw/zinc/91/14/62/805911462.db2.gz KMARXNZYMYPKMO-HOTGVXAUSA-N 2 1 295.471 2.025 20 0 CEADMP CCCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001227986233 806102739 /nfs/dbraw/zinc/10/27/39/806102739.db2.gz BKTYAASERZSWHQ-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)=CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001271904283 806136591 /nfs/dbraw/zinc/13/65/91/806136591.db2.gz ZLOGWCVTTHBMBB-HZPDHXFCSA-N 2 1 295.471 2.025 20 0 CEADMP CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001088431353 806208628 /nfs/dbraw/zinc/20/86/28/806208628.db2.gz RFEBZASLMAOEBW-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203427481 806354674 /nfs/dbraw/zinc/35/46/74/806354674.db2.gz UJEREQWKQWVGGA-KBPBESRZSA-N 2 1 295.471 2.001 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2Cc3ccc(OC)cc3C2)CC1 ZINC001168231100 806426725 /nfs/dbraw/zinc/42/67/25/806426725.db2.gz NZHJOCMLBRDTJQ-INIZCTEOSA-N 2 1 274.408 2.236 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C2 ZINC001168242961 806435294 /nfs/dbraw/zinc/43/52/94/806435294.db2.gz FSCIUYKHZIQOQS-HZPDHXFCSA-N 2 1 274.408 2.236 20 0 CEADMP CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1C ZINC001088666257 806585157 /nfs/dbraw/zinc/58/51/57/806585157.db2.gz AQTHJIKWEHHVDY-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1C ZINC001088666257 806585163 /nfs/dbraw/zinc/58/51/63/806585163.db2.gz AQTHJIKWEHHVDY-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001088666257 806585167 /nfs/dbraw/zinc/58/51/67/806585167.db2.gz AQTHJIKWEHHVDY-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1C ZINC001088666257 806585171 /nfs/dbraw/zinc/58/51/71/806585171.db2.gz AQTHJIKWEHHVDY-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001168298263 806634331 /nfs/dbraw/zinc/63/43/31/806634331.db2.gz JEGSBXQQZUCJFD-CKUJCDMFSA-N 3 1 267.461 2.322 20 0 CEADMP COC[C@H]1CCCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168313798 806645720 /nfs/dbraw/zinc/64/57/20/806645720.db2.gz HPBOMYANIJEQLN-YMAMQOFZSA-N 2 1 254.418 2.360 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000697906405 806754954 /nfs/dbraw/zinc/75/49/54/806754954.db2.gz YTTOGFGKRFWUKV-LBPRGKRZSA-N 2 1 260.385 2.073 20 0 CEADMP FC(F)(F)SCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000159901434 806842229 /nfs/dbraw/zinc/84/22/29/806842229.db2.gz COPHXZGNIPVRGN-ZJUUUORDSA-N 2 1 268.348 2.456 20 0 CEADMP CCN(CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208126817 802346151 /nfs/dbraw/zinc/34/61/51/802346151.db2.gz KCJMRIMPJVPSSQ-QGZVFWFLSA-N 2 1 275.440 2.144 20 0 CEADMP CC[NH+]1CCC(C[N@H+]2CCN(C(C)C)[C@@H](C)C2)CC1 ZINC001208603585 802388939 /nfs/dbraw/zinc/38/89/39/802388939.db2.gz FDKMEBUOEVCLAB-HNNXBMFYSA-N 2 1 267.461 2.133 20 0 CEADMP CC[NH+]1CCC(CN2CC[N@H+](C(C)C)[C@@H](C)C2)CC1 ZINC001208603585 802388944 /nfs/dbraw/zinc/38/89/44/802388944.db2.gz FDKMEBUOEVCLAB-HNNXBMFYSA-N 2 1 267.461 2.133 20 0 CEADMP CC[NH+]1CCC(CN2CC[N@@H+](C(C)C)[C@@H](C)C2)CC1 ZINC001208603585 802388954 /nfs/dbraw/zinc/38/89/54/802388954.db2.gz FDKMEBUOEVCLAB-HNNXBMFYSA-N 2 1 267.461 2.133 20 0 CEADMP CC[N@@H+](Cc1ccccc1-n1ccnc1C)C1CN(C)C1 ZINC001140027324 802492099 /nfs/dbraw/zinc/49/20/99/802492099.db2.gz IKNYIRVPKZBOAD-UHFFFAOYSA-N 2 1 284.407 2.317 20 0 CEADMP CC[N@H+](Cc1ccccc1-n1cc[nH+]c1C)C1CN(C)C1 ZINC001140027324 802492102 /nfs/dbraw/zinc/49/21/02/802492102.db2.gz IKNYIRVPKZBOAD-UHFFFAOYSA-N 2 1 284.407 2.317 20 0 CEADMP CNc1nccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)n1 ZINC001140043475 802516629 /nfs/dbraw/zinc/51/66/29/802516629.db2.gz XTCIZJWFNKBFRD-UHFFFAOYSA-N 2 1 291.443 2.071 20 0 CEADMP C[C@H](Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1)C(C)(C)C ZINC001168683600 808959445 /nfs/dbraw/zinc/95/94/45/808959445.db2.gz PEDZVCZGCJLYEP-NSHDSACASA-N 2 1 277.416 2.251 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001210810758 802741037 /nfs/dbraw/zinc/74/10/37/802741037.db2.gz CPJYAKCKKZFFTH-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H]1C[C@H](n2cnc(C[NH3+])c2)C[N@H+]1Cc1ccccc1 ZINC000398203533 802809617 /nfs/dbraw/zinc/80/96/17/802809617.db2.gz NKDDSXRCKBPYHS-CJNGLKHVSA-N 2 1 270.380 2.177 20 0 CEADMP CCCCCC[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170221963 812336690 /nfs/dbraw/zinc/33/66/90/812336690.db2.gz GDSUANXUTBVNFJ-UHFFFAOYSA-N 2 1 271.449 2.004 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000723664488 802922184 /nfs/dbraw/zinc/92/21/84/802922184.db2.gz OPRXCGSABZIAOQ-IJEWVQPXSA-N 2 1 278.440 2.408 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000723676034 802923270 /nfs/dbraw/zinc/92/32/70/802923270.db2.gz KGTJCUHWSDXXDI-LBPRGKRZSA-N 2 1 268.788 2.390 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723696661 802925469 /nfs/dbraw/zinc/92/54/69/802925469.db2.gz XBVIPHQAWRDHMJ-OAHLLOKOSA-N 2 1 283.460 2.086 20 0 CEADMP CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001087166056 802926718 /nfs/dbraw/zinc/92/67/18/802926718.db2.gz XBOAXFLHHLZCFW-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001266855961 802946528 /nfs/dbraw/zinc/94/65/28/802946528.db2.gz IHYIKZMXKAHYOH-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C[C@H]1CC[NH3+] ZINC000723882626 802964423 /nfs/dbraw/zinc/96/44/23/802964423.db2.gz KMEQDCCOBODQAX-MCIONIFRSA-N 2 1 268.445 2.497 20 0 CEADMP Cc1cccc(OCC[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000723890881 802965088 /nfs/dbraw/zinc/96/50/88/802965088.db2.gz JFRXCFYYLROUJR-HUUCEWRRSA-N 2 1 262.397 2.291 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@H]1CCCOC1 ZINC000723985278 802985963 /nfs/dbraw/zinc/98/59/63/802985963.db2.gz DYKWSLYGGYSQKP-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@H]1CCCOC1 ZINC000723985273 802986099 /nfs/dbraw/zinc/98/60/99/802986099.db2.gz DYKWSLYGGYSQKP-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001038238134 803124068 /nfs/dbraw/zinc/12/40/68/803124068.db2.gz FSSBQEMVMHDDNF-HZPDHXFCSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001038238134 803124073 /nfs/dbraw/zinc/12/40/73/803124073.db2.gz FSSBQEMVMHDDNF-HZPDHXFCSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001038238134 803124075 /nfs/dbraw/zinc/12/40/75/803124075.db2.gz FSSBQEMVMHDDNF-HZPDHXFCSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001038238134 803124079 /nfs/dbraw/zinc/12/40/79/803124079.db2.gz FSSBQEMVMHDDNF-HZPDHXFCSA-N 2 1 293.455 2.016 20 0 CEADMP C[N@H+](CCSc1ccc(F)cc1)C1(C[NH3+])CCOCC1 ZINC000725048365 803411628 /nfs/dbraw/zinc/41/16/28/803411628.db2.gz NXGIPSWSPBDSAQ-UHFFFAOYSA-N 2 1 298.427 2.358 20 0 CEADMP C[N@@H+](CCSc1ccc(F)cc1)C1(C[NH3+])CCOCC1 ZINC000725048365 803411633 /nfs/dbraw/zinc/41/16/33/803411633.db2.gz NXGIPSWSPBDSAQ-UHFFFAOYSA-N 2 1 298.427 2.358 20 0 CEADMP C[NH+](C)CC[C@H](O[C@H]1C[NH2+]CC1(F)F)c1ccccc1 ZINC001217843810 803459751 /nfs/dbraw/zinc/45/97/51/803459751.db2.gz GVLKVNNMGPTKNC-KBPBESRZSA-N 2 1 284.350 2.303 20 0 CEADMP Cc1n[nH]cc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000036901477 814940457 /nfs/dbraw/zinc/94/04/57/814940457.db2.gz HGFYOUUIUYLTKP-LBPRGKRZSA-N 2 1 250.390 2.072 20 0 CEADMP Cc1n[nH]cc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000036901477 814940464 /nfs/dbraw/zinc/94/04/64/814940464.db2.gz HGFYOUUIUYLTKP-LBPRGKRZSA-N 2 1 250.390 2.072 20 0 CEADMP CC(C)(C)OC(=O)O[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207436826 803610263 /nfs/dbraw/zinc/61/02/63/803610263.db2.gz RIOGXODJBRMYFG-CYBMUJFWSA-N 2 1 284.400 2.012 20 0 CEADMP CCCCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267709188 803668120 /nfs/dbraw/zinc/66/81/20/803668120.db2.gz UOHHXKOYONHVOY-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP Cc1cnc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])nc1 ZINC000692562886 803708850 /nfs/dbraw/zinc/70/88/50/803708850.db2.gz SUXLWLKZUYPXQZ-ZIAGYGMSSA-N 2 1 262.401 2.124 20 0 CEADMP C([C@@H]1CC[C@H](C2CC2)O1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000715383059 814962444 /nfs/dbraw/zinc/96/24/44/814962444.db2.gz GFTIOHFGABCAGR-LSDHHAIUSA-N 2 1 264.413 2.020 20 0 CEADMP CC(C)CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001267848136 803773200 /nfs/dbraw/zinc/77/32/00/803773200.db2.gz FJSULQTYMZHUSM-WBVHZDCISA-N 2 1 295.471 2.001 20 0 CEADMP COC(=O)[C@@H](C)C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222154917 803809834 /nfs/dbraw/zinc/80/98/34/803809834.db2.gz SSGCZXGDCODTAO-HOCLYGCPSA-N 2 1 282.428 2.041 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cs1 ZINC000715577458 814979832 /nfs/dbraw/zinc/97/98/32/814979832.db2.gz BKNFXGHIMXIUJM-CHWSQXEVSA-N 2 1 296.436 2.497 20 0 CEADMP COc1cncc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000715561361 814980108 /nfs/dbraw/zinc/98/01/08/814980108.db2.gz JTFLWPOYCROJGX-UONOGXRCSA-N 2 1 263.385 2.053 20 0 CEADMP C[NH+](C)C1(C)CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000715573406 814980247 /nfs/dbraw/zinc/98/02/47/814980247.db2.gz VMSVISLHSKOYIG-UHFFFAOYSA-N 3 1 279.472 2.466 20 0 CEADMP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001027441267 804076548 /nfs/dbraw/zinc/07/65/48/804076548.db2.gz CGHYEPZCSFNSOF-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001027441267 804076556 /nfs/dbraw/zinc/07/65/56/804076556.db2.gz CGHYEPZCSFNSOF-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027441267 804076568 /nfs/dbraw/zinc/07/65/68/804076568.db2.gz CGHYEPZCSFNSOF-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001027475167 804082970 /nfs/dbraw/zinc/08/29/70/804082970.db2.gz NYWQTMIJDSWXQL-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001027475167 804082981 /nfs/dbraw/zinc/08/29/81/804082981.db2.gz NYWQTMIJDSWXQL-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001027475167 804082990 /nfs/dbraw/zinc/08/29/90/804082990.db2.gz NYWQTMIJDSWXQL-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001167824011 804379596 /nfs/dbraw/zinc/37/95/96/804379596.db2.gz ATNNTLVOBNMCLP-JKSUJKDBSA-N 2 1 297.487 2.297 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C(C)C ZINC001027985692 804383310 /nfs/dbraw/zinc/38/33/10/804383310.db2.gz NEDDYKOJPVPAEX-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268093486 804419371 /nfs/dbraw/zinc/41/93/71/804419371.db2.gz IXEHBLZVJMTGHB-CABCVRRESA-N 2 1 297.487 2.201 20 0 CEADMP FC(F)(F)[C@H]1CC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)O1 ZINC000722400226 804425273 /nfs/dbraw/zinc/42/52/73/804425273.db2.gz DFKSEUBPCNTHDX-CHWSQXEVSA-N 2 1 292.345 2.313 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC2(C1)OCCO2 ZINC001167838473 804431920 /nfs/dbraw/zinc/43/19/20/804431920.db2.gz VDEYRIQNCZZTRT-OAHLLOKOSA-N 2 1 284.444 2.336 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001167840383 804439349 /nfs/dbraw/zinc/43/93/49/804439349.db2.gz FZTUZWAHQUQKGM-ZBFHGGJFSA-N 2 1 283.460 2.050 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCOCC12CC2 ZINC001167841903 804446158 /nfs/dbraw/zinc/44/61/58/804446158.db2.gz UHBKSVBGSGNTLE-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP CCN(CC)C(=O)c1ccc(NC(=[NH2+])SCC[NH3+])cc1 ZINC001167915575 804713246 /nfs/dbraw/zinc/71/32/46/804713246.db2.gz URBRZLWPBQKJKJ-UHFFFAOYSA-N 2 1 294.424 2.207 20 0 CEADMP Cc1nc(OCC(C)C)ccc1NC(=[NH2+])SCC[NH3+] ZINC001167916900 804756548 /nfs/dbraw/zinc/75/65/48/804756548.db2.gz ZUVCUWDRPZFUSH-UHFFFAOYSA-N 2 1 282.413 2.463 20 0 CEADMP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030033220 807025195 /nfs/dbraw/zinc/02/51/95/807025195.db2.gz RFGAGSMIVWUYGO-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030033220 807025200 /nfs/dbraw/zinc/02/52/00/807025200.db2.gz RFGAGSMIVWUYGO-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030033220 807025208 /nfs/dbraw/zinc/02/52/08/807025208.db2.gz RFGAGSMIVWUYGO-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030033220 807025216 /nfs/dbraw/zinc/02/52/16/807025216.db2.gz RFGAGSMIVWUYGO-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000165068815 807035464 /nfs/dbraw/zinc/03/54/64/807035464.db2.gz BSAPJLZFANRMFK-CYBMUJFWSA-N 2 1 255.365 2.406 20 0 CEADMP CCCCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001269060950 805037999 /nfs/dbraw/zinc/03/79/99/805037999.db2.gz CPPKDLZPUCINSZ-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2C1CC[NH+](CC2CC2)CC1 ZINC001168387731 807045314 /nfs/dbraw/zinc/04/53/14/807045314.db2.gz RPZOQBAGGPJNIP-QEJZJMRPSA-N 2 1 252.377 2.293 20 0 CEADMP C[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167961402 805352997 /nfs/dbraw/zinc/35/29/97/805352997.db2.gz JVJQYULLWFIJCA-AYHJJNSGSA-N 3 1 291.483 2.323 20 0 CEADMP CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001270184739 805363628 /nfs/dbraw/zinc/36/36/28/805363628.db2.gz RVHOPIGHRQJKQD-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)N(CCC[NH3+])C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964209 805444624 /nfs/dbraw/zinc/44/46/24/805444624.db2.gz NTTZNXFUYJHUIF-SJPCQFCGSA-N 3 1 279.472 2.451 20 0 CEADMP CO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167965310 805463838 /nfs/dbraw/zinc/46/38/38/805463838.db2.gz AMNOJBOEOURQAD-OKAWUIAZSA-N 2 1 264.413 2.159 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCC(C)(C)C)C1 ZINC001030401004 807167773 /nfs/dbraw/zinc/16/77/73/807167773.db2.gz KYFOHNIXRBCEBT-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCC(C)(C)C)C1 ZINC001030401004 807167777 /nfs/dbraw/zinc/16/77/77/807167777.db2.gz KYFOHNIXRBCEBT-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C[C@H]1C[NH3+] ZINC000716300299 815110978 /nfs/dbraw/zinc/11/09/78/815110978.db2.gz DYZBQBCUEGEBHJ-RBSFLKMASA-N 2 1 266.429 2.252 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716301207 815111070 /nfs/dbraw/zinc/11/10/70/815111070.db2.gz JOTMBOUUJMPXOD-ZIAGYGMSSA-N 2 1 252.402 2.006 20 0 CEADMP C([C@@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000716320937 815114716 /nfs/dbraw/zinc/11/47/16/815114716.db2.gz UIMARXFDJIAMBJ-OWCLPIDISA-N 2 1 278.440 2.410 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(C)(C)O)CC1 ZINC000716366452 815119899 /nfs/dbraw/zinc/11/98/99/815119899.db2.gz KNQRENUODDVPSQ-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1n[nH]c(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1C ZINC001119513869 815123652 /nfs/dbraw/zinc/12/36/52/815123652.db2.gz VNXXCHFXSVMPNQ-UHFFFAOYSA-N 2 1 262.401 2.087 20 0 CEADMP CCCCCC[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272475400 807518603 /nfs/dbraw/zinc/51/86/03/807518603.db2.gz DNLOSZQWSTYFLE-QGZVFWFLSA-N 2 1 295.471 2.053 20 0 CEADMP COCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)s1 ZINC001205101929 807633534 /nfs/dbraw/zinc/63/35/34/807633534.db2.gz NTCGEVAOYFTBIX-LLVKDONJSA-N 2 1 254.399 2.208 20 0 CEADMP CC[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716628392 815137000 /nfs/dbraw/zinc/13/70/00/815137000.db2.gz WQLCWIKXFJLDQD-FJIDUMEYSA-N 2 1 288.435 2.400 20 0 CEADMP Cc1ccc2n[nH]c(C[N@@H+]3CCC[C@@H]([NH3+])CC3)c2c1 ZINC001205109715 807671637 /nfs/dbraw/zinc/67/16/37/807671637.db2.gz JWNWCTIVFXLPPN-GFCCVEGCSA-N 2 1 258.369 2.185 20 0 CEADMP Cc1ccc2n[nH]c(CN3CCC[C@@H]([NH3+])CC3)c2c1 ZINC001205109715 807671640 /nfs/dbraw/zinc/67/16/40/807671640.db2.gz JWNWCTIVFXLPPN-GFCCVEGCSA-N 2 1 258.369 2.185 20 0 CEADMP COCC[N@@H+](CC(C)C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699294539 807675524 /nfs/dbraw/zinc/67/55/24/807675524.db2.gz URHQLEJGRLOGHD-GOOCMWNKSA-N 2 1 254.418 2.121 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000699311980 807679955 /nfs/dbraw/zinc/67/99/55/807679955.db2.gz MJCJSDWNRZNGRA-HMQMGEFJSA-N 2 1 277.456 2.077 20 0 CEADMP CC[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235318359 807816125 /nfs/dbraw/zinc/81/61/25/807816125.db2.gz FHLMJOLSIDPJGO-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP CCOc1cc(OC)ccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205156209 807842002 /nfs/dbraw/zinc/84/20/02/807842002.db2.gz RZVIOIPSRMBNGN-GXTWGEPZSA-N 2 1 278.396 2.121 20 0 CEADMP C[N@H+]1CC[C@H](c2ccc(Nc3nccnc3C[NH3+])cc2)C1 ZINC001171449847 815163316 /nfs/dbraw/zinc/16/33/16/815163316.db2.gz YNFYBOTUXZTLAH-ZDUSSCGKSA-N 2 1 283.379 2.098 20 0 CEADMP COc1ccc(C[C@H]2CCC[N@H+](C[C@H](C)[NH3+])C2)cc1 ZINC001236092147 807972415 /nfs/dbraw/zinc/97/24/15/807972415.db2.gz HXFLLDBRGPIVHJ-DZGCQCFKSA-N 2 1 262.397 2.297 20 0 CEADMP COc1ccc(C[C@H]2CCC[N@@H+](C[C@H](C)[NH3+])C2)cc1 ZINC001236092147 807972419 /nfs/dbraw/zinc/97/24/19/807972419.db2.gz HXFLLDBRGPIVHJ-DZGCQCFKSA-N 2 1 262.397 2.297 20 0 CEADMP COC(=O)CCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001236170699 808003770 /nfs/dbraw/zinc/00/37/70/808003770.db2.gz YOOOIGVIKMRWMV-CQSZACIVSA-N 2 1 270.417 2.313 20 0 CEADMP COC(=O)CCCCCCCCC[N@H+]1CC[C@@H]([NH3+])C1 ZINC001236170699 808003775 /nfs/dbraw/zinc/00/37/75/808003775.db2.gz YOOOIGVIKMRWMV-CQSZACIVSA-N 2 1 270.417 2.313 20 0 CEADMP C[N@H+]1CCC[C@@H](CN([C@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001236648362 808141072 /nfs/dbraw/zinc/14/10/72/808141072.db2.gz QLDPULGAWLWFLW-WBVHZDCISA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC2CCCCCC2)CC[N@H+]1C ZINC001127638008 808166719 /nfs/dbraw/zinc/16/67/19/808166719.db2.gz DZIBSSIKCAHCMS-GDBMZVCRSA-N 2 1 295.471 2.003 20 0 CEADMP COCc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237391058 808215855 /nfs/dbraw/zinc/21/58/55/808215855.db2.gz JXKJWKLEIYHBAB-SWLSCSKDSA-N 2 1 280.437 2.468 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237391058 808215858 /nfs/dbraw/zinc/21/58/58/808215858.db2.gz JXKJWKLEIYHBAB-SWLSCSKDSA-N 2 1 280.437 2.468 20 0 CEADMP C[NH+]1C(C)(C)CC([N@@H+]2CCO[C@]3(CCOC3)C2)CC1(C)C ZINC001171632378 815201333 /nfs/dbraw/zinc/20/13/33/815201333.db2.gz YWBAJIXLOOYSCK-QGZVFWFLSA-N 2 1 296.455 2.129 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCO[C@]3(CCOC3)C2)CC1(C)C ZINC001171632378 815201335 /nfs/dbraw/zinc/20/13/35/815201335.db2.gz YWBAJIXLOOYSCK-QGZVFWFLSA-N 2 1 296.455 2.129 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@](C)(O)C2)CC1(C)C ZINC001171631521 815201849 /nfs/dbraw/zinc/20/18/49/815201849.db2.gz KQDJRQHHJKZDPC-OAHLLOKOSA-N 2 1 254.418 2.095 20 0 CEADMP Cc1ccc(CC[C@H](C)n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1 ZINC001171659991 815208983 /nfs/dbraw/zinc/20/89/83/815208983.db2.gz HXOSIUWBSNKIOJ-GOEBONIOSA-N 2 1 287.407 2.247 20 0 CEADMP Cc1ccc(CC[C@@H](C)[NH2+]CCC[N@@H+](C)CCO)cc1 ZINC001171664553 815210662 /nfs/dbraw/zinc/21/06/62/815210662.db2.gz CFXGTLYKXRJICY-MRXNPFEDSA-N 2 1 278.440 2.220 20 0 CEADMP C[C@H]1C[C@@H](N2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171746616 815223623 /nfs/dbraw/zinc/22/36/23/815223623.db2.gz QBCJJJHSNPOKJA-QFBILLFUSA-N 2 1 299.462 2.429 20 0 CEADMP C[C@H]1C[C@@H](N2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171746616 815223628 /nfs/dbraw/zinc/22/36/28/815223628.db2.gz QBCJJJHSNPOKJA-QFBILLFUSA-N 2 1 299.462 2.429 20 0 CEADMP C[C@H]1C[C@H](N2CCC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC001171743827 815221425 /nfs/dbraw/zinc/22/14/25/815221425.db2.gz CRVJQNKFSYRNOG-WMZOPIPTSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@H]1C[C@H](N2CCC[N@H+](C)CC2)C[NH+]1Cc1ccccc1 ZINC001171743827 815221427 /nfs/dbraw/zinc/22/14/27/815221427.db2.gz CRVJQNKFSYRNOG-WMZOPIPTSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@H]1C[C@H](N2CCC[N@@H+](C)CC2)C[NH+]1Cc1ccccc1 ZINC001171743827 815221431 /nfs/dbraw/zinc/22/14/31/815221431.db2.gz CRVJQNKFSYRNOG-WMZOPIPTSA-N 2 1 287.451 2.287 20 0 CEADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1Cc2cccc(F)c2C1 ZINC001171773397 815229800 /nfs/dbraw/zinc/22/98/00/815229800.db2.gz KNNGYZIXZYUFQO-GFCCVEGCSA-N 2 1 259.328 2.172 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CCC1CCCC1 ZINC001171769694 815230028 /nfs/dbraw/zinc/23/00/28/815230028.db2.gz DTJJGPLWVVVPFC-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP CC(C)OC1CC([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001116674509 808862833 /nfs/dbraw/zinc/86/28/33/808862833.db2.gz ABWBEVDPLQQPPG-PFSRBDOWSA-N 2 1 254.418 2.405 20 0 CEADMP CC1(C)C[C@H](N2CC([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001171962875 815253179 /nfs/dbraw/zinc/25/31/79/815253179.db2.gz DDJCMCLIFKJUAN-MRXNPFEDSA-N 2 1 273.424 2.073 20 0 CEADMP CCOC(=O)C1(C)CCC([N@@H+](C)C[C@@H](C)C[NH3+])CC1 ZINC001171944003 815257840 /nfs/dbraw/zinc/25/78/40/815257840.db2.gz JQWUGHRRRDLMDG-OPFPJEHXSA-N 2 1 270.417 2.025 20 0 CEADMP CCOc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206153698 815258848 /nfs/dbraw/zinc/25/88/48/815258848.db2.gz FANFGKPGTRBZAJ-UONOGXRCSA-N 2 1 266.360 2.347 20 0 CEADMP CCOc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206153698 815258854 /nfs/dbraw/zinc/25/88/54/815258854.db2.gz FANFGKPGTRBZAJ-UONOGXRCSA-N 2 1 266.360 2.347 20 0 CEADMP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001280496699 809227241 /nfs/dbraw/zinc/22/72/41/809227241.db2.gz BMSLHLYDWFBFKS-MBVDDHJVSA-N 2 1 293.455 2.065 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1cccnc1)C2 ZINC001172100850 815284203 /nfs/dbraw/zinc/28/42/03/815284203.db2.gz SVZWMAWWTDJHMA-MUJYYYPQSA-N 2 1 259.397 2.229 20 0 CEADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000701035732 809382226 /nfs/dbraw/zinc/38/22/26/809382226.db2.gz QOIPLNRTXXSIHC-CFIZJCQXSA-N 2 1 252.402 2.013 20 0 CEADMP CC(C)[N@H+](CCCO)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172126274 815285446 /nfs/dbraw/zinc/28/54/46/815285446.db2.gz VVCKLEINTAPDIB-FICVDOATSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[N@@H+](CCCO)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172126274 815285450 /nfs/dbraw/zinc/28/54/50/815285450.db2.gz VVCKLEINTAPDIB-FICVDOATSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[NH+](CCCO)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172126274 815285454 /nfs/dbraw/zinc/28/54/54/815285454.db2.gz VVCKLEINTAPDIB-FICVDOATSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[NH+](CCCO)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172126274 815285457 /nfs/dbraw/zinc/28/54/57/815285457.db2.gz VVCKLEINTAPDIB-FICVDOATSA-N 2 1 254.418 2.095 20 0 CEADMP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001033826178 809425804 /nfs/dbraw/zinc/42/58/04/809425804.db2.gz MNKLNVRJGSJGSW-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](C(C)C)C1 ZINC001033826178 809425806 /nfs/dbraw/zinc/42/58/06/809425806.db2.gz MNKLNVRJGSJGSW-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](C(C)C)C1 ZINC001033826178 809425810 /nfs/dbraw/zinc/42/58/10/809425810.db2.gz MNKLNVRJGSJGSW-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033826854 809428323 /nfs/dbraw/zinc/42/83/23/809428323.db2.gz VWCPLVXSTPVQQT-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033826854 809428329 /nfs/dbraw/zinc/42/83/29/809428329.db2.gz VWCPLVXSTPVQQT-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC/C=C/CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128778723 809448918 /nfs/dbraw/zinc/44/89/18/809448918.db2.gz KWMVOHPESOPJSR-MOEXGYKKSA-N 2 1 295.471 2.313 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCCOC1)C2 ZINC001172103904 815294182 /nfs/dbraw/zinc/29/41/82/815294182.db2.gz XWILDYOJYRSWPK-TUVASFSCSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(C(N)=[NH2+])c1ccccc1)C2 ZINC001172105997 815295691 /nfs/dbraw/zinc/29/56/91/815295691.db2.gz MDFLXXBWOUTPTD-FICVDOATSA-N 2 1 272.396 2.402 20 0 CEADMP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034131918 809527620 /nfs/dbraw/zinc/52/76/20/809527620.db2.gz OWJRRZCOZIRZKT-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034131918 809527624 /nfs/dbraw/zinc/52/76/24/809527624.db2.gz OWJRRZCOZIRZKT-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034131918 809527629 /nfs/dbraw/zinc/52/76/29/809527629.db2.gz OWJRRZCOZIRZKT-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)COC1 ZINC001172107876 815296809 /nfs/dbraw/zinc/29/68/09/815296809.db2.gz LCQVIEQGTLMHEE-ZSOGYDGISA-N 2 1 252.402 2.018 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC001172108861 815298303 /nfs/dbraw/zinc/29/83/03/815298303.db2.gz HADDAGWDRXKEOG-PHZGNYQRSA-N 2 1 289.423 2.238 20 0 CEADMP COC(=O)C1(C)CCC([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001168754059 809563413 /nfs/dbraw/zinc/56/34/13/809563413.db2.gz GQMBSIKIYJATEQ-VQCLRJIVSA-N 2 1 282.428 2.182 20 0 CEADMP CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113586 815303843 /nfs/dbraw/zinc/30/38/43/815303843.db2.gz DPRXHXGRRMLSFE-QRJUGERDSA-N 2 1 294.439 2.323 20 0 CEADMP CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113586 815303851 /nfs/dbraw/zinc/30/38/51/815303851.db2.gz DPRXHXGRRMLSFE-QRJUGERDSA-N 2 1 294.439 2.323 20 0 CEADMP C[N@H+](C1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115417 815303895 /nfs/dbraw/zinc/30/38/95/815303895.db2.gz XDQNCNVJRLYFPG-FICVDOATSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+](C1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172115417 815303900 /nfs/dbraw/zinc/30/39/00/815303900.db2.gz XDQNCNVJRLYFPG-FICVDOATSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](C1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115417 815303905 /nfs/dbraw/zinc/30/39/05/815303905.db2.gz XDQNCNVJRLYFPG-FICVDOATSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](C1CCOCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115417 815303912 /nfs/dbraw/zinc/30/39/12/815303912.db2.gz XDQNCNVJRLYFPG-FICVDOATSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCO[C@@H]1CCCCO1)C2 ZINC001172113745 815304142 /nfs/dbraw/zinc/30/41/42/815304142.db2.gz JZLIJGOJANAUMN-LVQVYYBASA-N 2 1 282.428 2.135 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCc3nccnc31)C2 ZINC001172115132 815304442 /nfs/dbraw/zinc/30/44/42/815304442.db2.gz QYQGWACDNKRAGT-HGTKMLMNSA-N 2 1 286.423 2.459 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCc3nccnc31)C2 ZINC001172115132 815304448 /nfs/dbraw/zinc/30/44/48/815304448.db2.gz QYQGWACDNKRAGT-HGTKMLMNSA-N 2 1 286.423 2.459 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC(=O)C1)C2 ZINC001172116356 815305679 /nfs/dbraw/zinc/30/56/79/815305679.db2.gz GZWXLEJEBYKDOL-YIYPIFLZSA-N 2 1 250.386 2.103 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC(=O)C1)C2 ZINC001172116356 815305684 /nfs/dbraw/zinc/30/56/84/815305684.db2.gz GZWXLEJEBYKDOL-YIYPIFLZSA-N 2 1 250.386 2.103 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)C2 ZINC001172116387 815306085 /nfs/dbraw/zinc/30/60/85/815306085.db2.gz HDLOWTDEVUZRLA-IBEHDNSVSA-N 2 1 266.429 2.142 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000703573989 809667002 /nfs/dbraw/zinc/66/70/02/809667002.db2.gz STYSFNMERUDDHH-DOTOQJQBSA-N 2 1 274.408 2.224 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000703573989 809667007 /nfs/dbraw/zinc/66/70/07/809667007.db2.gz STYSFNMERUDDHH-DOTOQJQBSA-N 2 1 274.408 2.224 20 0 CEADMP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001034734330 809676992 /nfs/dbraw/zinc/67/69/92/809676992.db2.gz OAMILWBPHXYOTD-BZUAXINKSA-N 2 1 295.471 2.001 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172119277 815309242 /nfs/dbraw/zinc/30/92/42/815309242.db2.gz XTNXSIGWVSJLBJ-ZOFXXKQRSA-N 2 1 279.472 2.464 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001172119277 815309249 /nfs/dbraw/zinc/30/92/49/815309249.db2.gz XTNXSIGWVSJLBJ-ZOFXXKQRSA-N 2 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172119277 815309258 /nfs/dbraw/zinc/30/92/58/815309258.db2.gz XTNXSIGWVSJLBJ-ZOFXXKQRSA-N 3 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172119277 815309263 /nfs/dbraw/zinc/30/92/63/815309263.db2.gz XTNXSIGWVSJLBJ-ZOFXXKQRSA-N 3 1 279.472 2.464 20 0 CEADMP CC[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](CC)CO1 ZINC000703884828 809702021 /nfs/dbraw/zinc/70/20/21/809702021.db2.gz LCCWOJOOAJHVGE-WFDRTZIDSA-N 2 1 266.429 2.406 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](C)O1 ZINC000708391920 809928419 /nfs/dbraw/zinc/92/84/19/809928419.db2.gz YWIRYRLUTQSRLJ-YPMHNXCESA-N 2 1 280.437 2.393 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](C)O1 ZINC000708391920 809928424 /nfs/dbraw/zinc/92/84/24/809928424.db2.gz YWIRYRLUTQSRLJ-YPMHNXCESA-N 2 1 280.437 2.393 20 0 CEADMP FC1(F)CC[C@H](C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000709809823 809970479 /nfs/dbraw/zinc/97/04/79/809970479.db2.gz UAHUPTRYYNTWBY-QWHCGFSZSA-N 2 1 258.356 2.497 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C(F)(F)F ZINC000709798794 809970679 /nfs/dbraw/zinc/97/06/79/809970679.db2.gz IHYJRZKHWXQWED-NXEZZACHSA-N 2 1 256.287 2.195 20 0 CEADMP C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000710692166 809989255 /nfs/dbraw/zinc/98/92/55/809989255.db2.gz BRCXDTVFCYMWGG-GJZGRUSLSA-N 2 1 283.460 2.132 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](c3nccs3)C2)CC[NH2+]1 ZINC000710480419 809989405 /nfs/dbraw/zinc/98/94/05/809989405.db2.gz FBDOOLSFURWPMD-JHJVBQTASA-N 2 1 265.426 2.321 20 0 CEADMP CCC[N@H+](CC)CC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710944052 810006943 /nfs/dbraw/zinc/00/69/43/810006943.db2.gz ZTYDCBAHTNJYMR-UHFFFAOYSA-N 2 1 299.459 2.175 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710944052 810006945 /nfs/dbraw/zinc/00/69/45/810006945.db2.gz ZTYDCBAHTNJYMR-UHFFFAOYSA-N 2 1 299.459 2.175 20 0 CEADMP C([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000711091441 810014352 /nfs/dbraw/zinc/01/43/52/810014352.db2.gz UPLWIVSOADJJHO-YIDVYQOGSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000711091441 810014355 /nfs/dbraw/zinc/01/43/55/810014355.db2.gz UPLWIVSOADJJHO-YIDVYQOGSA-N 2 1 264.413 2.018 20 0 CEADMP C1CC([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]2CCOC2)C1 ZINC000711838208 810097919 /nfs/dbraw/zinc/09/79/19/810097919.db2.gz ZPHLRHDCICYFPG-HZMVEIRTSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172226557 815341541 /nfs/dbraw/zinc/34/15/41/815341541.db2.gz ACVFXXSSUKZOEY-GOOCMWNKSA-N 2 1 252.402 2.114 20 0 CEADMP CC[NH+](CC)CCCC[NH2+]C1CCN(CCCOC)CC1 ZINC001172242527 815356175 /nfs/dbraw/zinc/35/61/75/815356175.db2.gz DUEBLUHCHODNHU-UHFFFAOYSA-N 2 1 299.503 2.199 20 0 CEADMP CC[C@@H]1CCC[N@H+]1C1CCN(CCCOC)CC1 ZINC001172254603 815360879 /nfs/dbraw/zinc/36/08/79/815360879.db2.gz SECBLGXUOSDPDI-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP CC[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCOC)CC1 ZINC001172254603 815360886 /nfs/dbraw/zinc/36/08/86/815360886.db2.gz SECBLGXUOSDPDI-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP CC[C@@H]1CCC[N@H+]1C1CC[NH+](CCCOC)CC1 ZINC001172254603 815360892 /nfs/dbraw/zinc/36/08/92/815360892.db2.gz SECBLGXUOSDPDI-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015706204 810338224 /nfs/dbraw/zinc/33/82/24/810338224.db2.gz OYQCDKWPECKBIA-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001015706204 810338227 /nfs/dbraw/zinc/33/82/27/810338227.db2.gz OYQCDKWPECKBIA-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015706204 810338234 /nfs/dbraw/zinc/33/82/34/810338234.db2.gz OYQCDKWPECKBIA-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015706203 810339263 /nfs/dbraw/zinc/33/92/63/810339263.db2.gz OYQCDKWPECKBIA-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001015706203 810339267 /nfs/dbraw/zinc/33/92/67/810339267.db2.gz OYQCDKWPECKBIA-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015706203 810339276 /nfs/dbraw/zinc/33/92/76/810339276.db2.gz OYQCDKWPECKBIA-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC1(C)C[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172279273 815374023 /nfs/dbraw/zinc/37/40/23/815374023.db2.gz BVZFUBVZDFHXBM-DZKIICNBSA-N 2 1 296.455 2.305 20 0 CEADMP CC1(C)C[C@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)CO1 ZINC001172279905 815375181 /nfs/dbraw/zinc/37/51/81/815375181.db2.gz MEXVCWSYGMJZMZ-KGLIPLIRSA-N 2 1 254.418 2.395 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000823765135 810627777 /nfs/dbraw/zinc/62/77/77/810627777.db2.gz XQPPMOLXWQCJKM-RHSMWYFYSA-N 2 1 273.424 2.477 20 0 CEADMP CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085255291 810707348 /nfs/dbraw/zinc/70/73/48/810707348.db2.gz XEOOLJSTECICEE-OAGGEKHMSA-N 2 1 295.471 2.144 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1F ZINC001206163938 815390998 /nfs/dbraw/zinc/39/09/98/815390998.db2.gz HZOYNBCSTXLCPN-UONOGXRCSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1F ZINC001206163938 815391004 /nfs/dbraw/zinc/39/10/04/815391004.db2.gz HZOYNBCSTXLCPN-UONOGXRCSA-N 2 1 254.324 2.395 20 0 CEADMP CC[C@@H](C)OCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172333978 815393102 /nfs/dbraw/zinc/39/31/02/815393102.db2.gz YWLZAVHJAJXURX-FPCVCCKLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001172333978 815393107 /nfs/dbraw/zinc/39/31/07/815393107.db2.gz YWLZAVHJAJXURX-FPCVCCKLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001172333978 815393114 /nfs/dbraw/zinc/39/31/14/815393114.db2.gz YWLZAVHJAJXURX-FPCVCCKLSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2COC3(CCCCC3)O2)CCC[C@@H]1C[NH3+] ZINC001205985704 810778174 /nfs/dbraw/zinc/77/81/74/810778174.db2.gz ZVXVEVGEZNDLCZ-XHSDSOJGSA-N 2 1 296.455 2.369 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)CC[C@@H]1F ZINC001206164052 815402335 /nfs/dbraw/zinc/40/23/35/815402335.db2.gz JDZSXQUKWORTEV-LSDHHAIUSA-N 2 1 273.355 2.496 20 0 CEADMP C[N@@H+](Cc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)nc1)C1CC1 ZINC001154987794 810884605 /nfs/dbraw/zinc/88/46/05/810884605.db2.gz OCHRBJMBFDHWCD-UONOGXRCSA-N 2 1 274.412 2.358 20 0 CEADMP CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001085779514 810911753 /nfs/dbraw/zinc/91/17/53/810911753.db2.gz XEMOLRDJOHGHPD-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001085779514 810911756 /nfs/dbraw/zinc/91/17/56/810911756.db2.gz XEMOLRDJOHGHPD-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001085779514 810911758 /nfs/dbraw/zinc/91/17/58/810911758.db2.gz XEMOLRDJOHGHPD-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2scnc2Cl)CC1 ZINC000713485372 810981321 /nfs/dbraw/zinc/98/13/21/810981321.db2.gz ZOLVESMJXJEVMA-UHFFFAOYSA-N 2 1 259.806 2.228 20 0 CEADMP CC(C)OCC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001172435595 815415856 /nfs/dbraw/zinc/41/58/56/815415856.db2.gz HTHOHYRZTBSVRZ-CYBMUJFWSA-N 2 1 254.418 2.406 20 0 CEADMP COC(=O)C1(C)CCC([N@@H+]2CCn3c(C)ncc3C2)CC1 ZINC001168779960 811204149 /nfs/dbraw/zinc/20/41/49/811204149.db2.gz LXUJPRJUUHIEMG-UHFFFAOYSA-N 2 1 291.395 2.129 20 0 CEADMP COC(=O)C1(C)CCC([N@H+]2CCn3c(C)ncc3C2)CC1 ZINC001168779960 811204175 /nfs/dbraw/zinc/20/41/75/811204175.db2.gz LXUJPRJUUHIEMG-UHFFFAOYSA-N 2 1 291.395 2.129 20 0 CEADMP CN(c1[nH+]ccc2c3c([nH]c21)CCC3)C1CC[NH2+]CC1 ZINC001156180878 811226947 /nfs/dbraw/zinc/22/69/47/811226947.db2.gz QUDZSTIGOHFLQM-UHFFFAOYSA-N 2 1 270.380 2.240 20 0 CEADMP CC(=O)Oc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001205994367 811285443 /nfs/dbraw/zinc/28/54/43/811285443.db2.gz LEBOALBTNUBQDK-BBRMVZONSA-N 2 1 290.407 2.419 20 0 CEADMP CC(C)OCC[C@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172440709 815437270 /nfs/dbraw/zinc/43/72/70/815437270.db2.gz JJOBIWFNHVACPV-KKUMJFAQSA-N 2 1 284.444 2.161 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1C[C@H]([NH3+])Cc3ccccc31)C2 ZINC001169093556 811365907 /nfs/dbraw/zinc/36/59/07/811365907.db2.gz ILNPZNJFLAUOAF-LVQVYYBASA-N 2 1 271.408 2.002 20 0 CEADMP Cc1nc(C)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC001169099147 811368994 /nfs/dbraw/zinc/36/89/94/811368994.db2.gz ODXGRHWGIHWEGQ-CLLJXQQHSA-N 2 1 265.426 2.475 20 0 CEADMP Cc1nc(C)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC001169099147 811369005 /nfs/dbraw/zinc/36/90/05/811369005.db2.gz ODXGRHWGIHWEGQ-CLLJXQQHSA-N 2 1 265.426 2.475 20 0 CEADMP Cc1nc(C)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC001169099148 811371021 /nfs/dbraw/zinc/37/10/21/811371021.db2.gz ODXGRHWGIHWEGQ-XYYAHUGASA-N 2 1 265.426 2.475 20 0 CEADMP Cc1nc(C)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC001169099148 811371031 /nfs/dbraw/zinc/37/10/31/811371031.db2.gz ODXGRHWGIHWEGQ-XYYAHUGASA-N 2 1 265.426 2.475 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)C2 ZINC001169101917 811374746 /nfs/dbraw/zinc/37/47/46/811374746.db2.gz WILVJNBFTCGLGN-FJIDUMEYSA-N 2 1 288.435 2.052 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@H](CCC[NH3+])C1)C2 ZINC001169122809 811389237 /nfs/dbraw/zinc/38/92/37/811389237.db2.gz DVTPDLFMOIYBAT-NCOADZHNSA-N 3 1 279.472 2.453 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@H](CCC[NH3+])C1)C2 ZINC001169122809 811389247 /nfs/dbraw/zinc/38/92/47/811389247.db2.gz DVTPDLFMOIYBAT-NCOADZHNSA-N 3 1 279.472 2.453 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@H](CCC[NH3+])C1)C2 ZINC001169122809 811389257 /nfs/dbraw/zinc/38/92/57/811389257.db2.gz DVTPDLFMOIYBAT-NCOADZHNSA-N 3 1 279.472 2.453 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@H](CCC[NH3+])C1)C2 ZINC001169122809 811389264 /nfs/dbraw/zinc/38/92/64/811389264.db2.gz DVTPDLFMOIYBAT-NCOADZHNSA-N 2 1 279.472 2.453 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@H](CCC[NH3+])C1)C2 ZINC001169122809 811389274 /nfs/dbraw/zinc/38/92/74/811389274.db2.gz DVTPDLFMOIYBAT-NCOADZHNSA-N 2 1 279.472 2.453 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001169122848 811389484 /nfs/dbraw/zinc/38/94/84/811389484.db2.gz FLGUSLHTDRXGMB-NQNKBUKLSA-N 2 1 279.472 2.320 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC001169122848 811389494 /nfs/dbraw/zinc/38/94/94/811389494.db2.gz FLGUSLHTDRXGMB-NQNKBUKLSA-N 2 1 279.472 2.320 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC001169122848 811389505 /nfs/dbraw/zinc/38/95/05/811389505.db2.gz FLGUSLHTDRXGMB-NQNKBUKLSA-N 2 1 279.472 2.320 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001169122848 811389510 /nfs/dbraw/zinc/38/95/10/811389510.db2.gz FLGUSLHTDRXGMB-NQNKBUKLSA-N 3 1 279.472 2.320 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001169122848 811389521 /nfs/dbraw/zinc/38/95/21/811389521.db2.gz FLGUSLHTDRXGMB-NQNKBUKLSA-N 3 1 279.472 2.320 20 0 CEADMP CC(C)[NH+]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC001169122848 811389532 /nfs/dbraw/zinc/38/95/32/811389532.db2.gz FLGUSLHTDRXGMB-NQNKBUKLSA-N 3 1 279.472 2.320 20 0 CEADMP CC(C)[NH+]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC001169122848 811389543 /nfs/dbraw/zinc/38/95/43/811389543.db2.gz FLGUSLHTDRXGMB-NQNKBUKLSA-N 3 1 279.472 2.320 20 0 CEADMP Cc1nc([C@@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)no1 ZINC001169125468 811391334 /nfs/dbraw/zinc/39/13/34/811391334.db2.gz IVCVCUVEHCVFGW-APIJFGDWSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nc([C@@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)no1 ZINC001169125468 811391343 /nfs/dbraw/zinc/39/13/43/811391343.db2.gz IVCVCUVEHCVFGW-APIJFGDWSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nc([C@@H]2CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)no1 ZINC001169125468 811391351 /nfs/dbraw/zinc/39/13/51/811391351.db2.gz IVCVCUVEHCVFGW-APIJFGDWSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nc([C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)no1 ZINC001169125468 811391361 /nfs/dbraw/zinc/39/13/61/811391361.db2.gz IVCVCUVEHCVFGW-APIJFGDWSA-N 2 1 290.411 2.183 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]3(C1)CCCCO3)C2 ZINC001169130329 811398030 /nfs/dbraw/zinc/39/80/30/811398030.db2.gz MQNLNUYXPYMKGO-FXUDXRNXSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(C1)CCCCO3)C2 ZINC001169130329 811398037 /nfs/dbraw/zinc/39/80/37/811398037.db2.gz MQNLNUYXPYMKGO-FXUDXRNXSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(C1)CCCCO3)C2 ZINC001169130329 811398045 /nfs/dbraw/zinc/39/80/45/811398045.db2.gz MQNLNUYXPYMKGO-FXUDXRNXSA-N 2 1 264.413 2.257 20 0 CEADMP CN(CCC[NH+]1CCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139299 811401579 /nfs/dbraw/zinc/40/15/79/811401579.db2.gz AZHNJIRFBGPIKL-MUJYYYPQSA-N 2 1 265.445 2.029 20 0 CEADMP CSC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169142864 811409094 /nfs/dbraw/zinc/40/90/94/811409094.db2.gz WYCCSVGQIWCBKL-ITGUQSILSA-N 2 1 254.443 2.439 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(N3CC(F)(F)C3)CC1)C2 ZINC001169146469 811411115 /nfs/dbraw/zinc/41/11/15/811411115.db2.gz PYCCZZQJUPARPF-FICVDOATSA-N 2 1 299.409 2.027 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@@H]3C[C@H]1[C@H](C(F)(F)F)O3)C2 ZINC001169152600 811415637 /nfs/dbraw/zinc/41/56/37/811415637.db2.gz CQFKSVJMCNRUTB-JQPUBBMISA-N 2 1 290.329 2.016 20 0 CEADMP CC(C)[N@H+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC001169160081 811420798 /nfs/dbraw/zinc/42/07/98/811420798.db2.gz ATSIJJKEOBGVBN-JONQDZQNSA-N 2 1 265.445 2.026 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC001169160081 811420806 /nfs/dbraw/zinc/42/08/06/811420806.db2.gz ATSIJJKEOBGVBN-JONQDZQNSA-N 2 1 265.445 2.026 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC001169160081 811420812 /nfs/dbraw/zinc/42/08/12/811420812.db2.gz ATSIJJKEOBGVBN-JONQDZQNSA-N 2 1 265.445 2.026 20 0 CEADMP CC[NH+]1CCC(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169230293 811444533 /nfs/dbraw/zinc/44/45/33/811444533.db2.gz WPAYCSOCASGIQU-MUJYYYPQSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001172466257 815448496 /nfs/dbraw/zinc/44/84/96/815448496.db2.gz HLHKLZJZNLYZSI-SOUVJXGZSA-N 2 1 256.434 2.367 20 0 CEADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001172466257 815448502 /nfs/dbraw/zinc/44/85/02/815448502.db2.gz HLHKLZJZNLYZSI-SOUVJXGZSA-N 2 1 256.434 2.367 20 0 CEADMP CC[NH+]1CCC([NH+]2CCC(N(C(C)=O)C(C)C)CC2)CC1 ZINC001169261702 811451959 /nfs/dbraw/zinc/45/19/59/811451959.db2.gz MGZDBQBWDZXGTQ-UHFFFAOYSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC001169254227 811465736 /nfs/dbraw/zinc/46/57/36/811465736.db2.gz ADACKFIIKQUFPS-HNNXBMFYSA-N 2 1 259.397 2.355 20 0 CEADMP CC[NH+]1CCC([N@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC001169254227 811465740 /nfs/dbraw/zinc/46/57/40/811465740.db2.gz ADACKFIIKQUFPS-HNNXBMFYSA-N 2 1 259.397 2.355 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(O)c2F)CCC[C@@H]1C[NH3+] ZINC001206012800 811572398 /nfs/dbraw/zinc/57/23/98/811572398.db2.gz NZDAWSBADDEMQU-VXGBXAGGSA-N 2 1 266.360 2.338 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]C(C)C ZINC001045104011 811575238 /nfs/dbraw/zinc/57/52/38/811575238.db2.gz UFEHGRVHXRZYEY-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c(F)ccc(O)c2F)CCC[C@@H]1C[NH3+] ZINC001206024884 811708315 /nfs/dbraw/zinc/70/83/15/811708315.db2.gz LOTXJAWWVIFMQI-WDEREUQCSA-N 2 1 284.350 2.477 20 0 CEADMP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108793832 811765800 /nfs/dbraw/zinc/76/58/00/811765800.db2.gz GEBMDGOURMZSIE-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046562400 811775806 /nfs/dbraw/zinc/77/58/06/811775806.db2.gz NCOOHHJIGLITSR-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001046562400 811775810 /nfs/dbraw/zinc/77/58/10/811775810.db2.gz NCOOHHJIGLITSR-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046562400 811775814 /nfs/dbraw/zinc/77/58/14/811775814.db2.gz NCOOHHJIGLITSR-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP COCOc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206028855 811901979 /nfs/dbraw/zinc/90/19/79/811901979.db2.gz ZOAFJYCNGFESFP-ZBFHGGJFSA-N 2 1 292.423 2.476 20 0 CEADMP COC(=O)[C@H]1CCC[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)C1 ZINC001172624946 815486256 /nfs/dbraw/zinc/48/62/56/815486256.db2.gz UCPGHZSBYGZISI-KBPBESRZSA-N 2 1 291.395 2.254 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)C1 ZINC001172624952 815486526 /nfs/dbraw/zinc/48/65/26/815486526.db2.gz UCPGHZSBYGZISI-ZIAGYGMSSA-N 2 1 291.395 2.254 20 0 CEADMP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001048600151 811993625 /nfs/dbraw/zinc/99/36/25/811993625.db2.gz HPQGQUONWJWENN-JYJNAYRXSA-N 2 1 295.471 2.001 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001112922724 812114849 /nfs/dbraw/zinc/11/48/49/812114849.db2.gz RXBAPSBNTFKCEH-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001112922724 812114855 /nfs/dbraw/zinc/11/48/55/812114855.db2.gz RXBAPSBNTFKCEH-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049548070 812164833 /nfs/dbraw/zinc/16/48/33/812164833.db2.gz BSFAUSAAJMZFLY-BZUAXINKSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(C)C)[NH+](C)C ZINC001049550105 812166960 /nfs/dbraw/zinc/16/69/60/812166960.db2.gz KCFMACZMOMWGCA-BZUAXINKSA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)CCC(=O)OC(C)C ZINC001172762820 815512032 /nfs/dbraw/zinc/51/20/32/815512032.db2.gz PFVFFSFDWFGWGE-AWEZNQCLSA-N 2 1 272.433 2.380 20 0 CEADMP COCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)s1 ZINC001206175290 815509605 /nfs/dbraw/zinc/50/96/05/815509605.db2.gz UCDQWHBGIJPLGS-QWHCGFSZSA-N 2 1 272.389 2.156 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)s1 ZINC001206175290 815509608 /nfs/dbraw/zinc/50/96/08/815509608.db2.gz UCDQWHBGIJPLGS-QWHCGFSZSA-N 2 1 272.389 2.156 20 0 CEADMP CC[C@@H](C)C[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113353321 812226088 /nfs/dbraw/zinc/22/60/88/812226088.db2.gz ZHJKZQGIYLHTQQ-OAHLLOKOSA-N 2 1 297.487 2.155 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001113571639 812279703 /nfs/dbraw/zinc/27/97/03/812279703.db2.gz YMROCKUSJUPRBH-UHFFFAOYSA-N 2 1 283.460 2.053 20 0 CEADMP COC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001172793714 815523959 /nfs/dbraw/zinc/52/39/59/815523959.db2.gz WEKPNJVFFGSGGS-KBPBESRZSA-N 2 1 294.439 2.325 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254529534 812443100 /nfs/dbraw/zinc/44/31/00/812443100.db2.gz NJMINUFDHVIXJH-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254529534 812443105 /nfs/dbraw/zinc/44/31/05/812443105.db2.gz NJMINUFDHVIXJH-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254529534 812443109 /nfs/dbraw/zinc/44/31/09/812443109.db2.gz NJMINUFDHVIXJH-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP CCCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001052713238 812450908 /nfs/dbraw/zinc/45/09/08/812450908.db2.gz UIMYSUQSVSGVJD-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001052713238 812450914 /nfs/dbraw/zinc/45/09/14/812450914.db2.gz UIMYSUQSVSGVJD-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001052713238 812450918 /nfs/dbraw/zinc/45/09/18/812450918.db2.gz UIMYSUQSVSGVJD-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130190013 812542314 /nfs/dbraw/zinc/54/23/14/812542314.db2.gz VFGSWEUAARNNQD-HOTGVXAUSA-N 2 1 295.471 2.145 20 0 CEADMP CCCC[N@H+](CC)CC[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170503518 812586950 /nfs/dbraw/zinc/58/69/50/812586950.db2.gz QRTGEVIUHIFFMU-KGLIPLIRSA-N 2 1 270.417 2.040 20 0 CEADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170503518 812586956 /nfs/dbraw/zinc/58/69/56/812586956.db2.gz QRTGEVIUHIFFMU-KGLIPLIRSA-N 2 1 270.417 2.040 20 0 CEADMP CC/C=C/CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130710786 812600381 /nfs/dbraw/zinc/60/03/81/812600381.db2.gz FBOYFTAFGVGXRK-SQRWCISFSA-N 2 1 295.471 2.169 20 0 CEADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001170523218 812619597 /nfs/dbraw/zinc/61/95/97/812619597.db2.gz BMZMBXCBFSXHFB-PMPSAXMXSA-N 2 1 294.439 2.182 20 0 CEADMP CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001050256580 812799033 /nfs/dbraw/zinc/79/90/33/812799033.db2.gz AAVKSLHGVPTSOL-BBRMVZONSA-N 2 1 289.423 2.068 20 0 CEADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132518777 812872017 /nfs/dbraw/zinc/87/20/17/812872017.db2.gz NXTOXSFOUFSIIM-HOTGVXAUSA-N 2 1 295.471 2.262 20 0 CEADMP CC(C)=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132518777 812872022 /nfs/dbraw/zinc/87/20/22/812872022.db2.gz NXTOXSFOUFSIIM-HOTGVXAUSA-N 2 1 295.471 2.262 20 0 CEADMP CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548835 812887118 /nfs/dbraw/zinc/88/71/18/812887118.db2.gz KENPDKJMOIATIP-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)(C[NH3+])[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170658974 812994968 /nfs/dbraw/zinc/99/49/68/812994968.db2.gz NNLLGMJFXRNMLA-NSHDSACASA-N 2 1 254.324 2.149 20 0 CEADMP CCCOC1CCC([NH2+]C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001173091776 815575241 /nfs/dbraw/zinc/57/52/41/815575241.db2.gz ZMTQLWHZTDEXQK-NFOMZHRRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+](C)C1CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173145293 815604541 /nfs/dbraw/zinc/60/45/41/815604541.db2.gz KEWDWMXWWCASAJ-CYBMUJFWSA-N 2 1 279.453 2.417 20 0 CEADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173145293 815604544 /nfs/dbraw/zinc/60/45/44/815604544.db2.gz KEWDWMXWWCASAJ-CYBMUJFWSA-N 2 1 279.453 2.417 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001255480086 813306096 /nfs/dbraw/zinc/30/60/96/813306096.db2.gz ADQHEOAUCPKTJV-MRXNPFEDSA-N 2 1 265.445 2.031 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000392834300 813308758 /nfs/dbraw/zinc/30/87/58/813308758.db2.gz RNEMNEIMJKUXLZ-OAHLLOKOSA-N 2 1 264.413 2.330 20 0 CEADMP CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476917 813446253 /nfs/dbraw/zinc/44/62/53/813446253.db2.gz NWEGHORXSIMSOP-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135586143 813469993 /nfs/dbraw/zinc/46/99/93/813469993.db2.gz XEXQNKPTOFBARB-KBPBESRZSA-N 2 1 294.443 2.288 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC ZINC001135691637 813504380 /nfs/dbraw/zinc/50/43/80/813504380.db2.gz XUHYLTMMMIEVMQ-LSDHHAIUSA-N 2 1 285.476 2.391 20 0 CEADMP C[C@H](CN[C@@H]1CCC[NH2+][C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000396575186 813574800 /nfs/dbraw/zinc/57/48/00/813574800.db2.gz CFKROILBVYRBEK-HLLBOEOZSA-N 2 1 275.440 2.237 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)CC2CCCC2)C[C@H]1C[NH3+] ZINC000397392962 813616111 /nfs/dbraw/zinc/61/61/11/813616111.db2.gz YYTDQQCEYIRABI-CLWVCHIJSA-N 2 1 268.445 2.233 20 0 CEADMP CC[NH+](CC)Cc1cccc(N[C@H](N)CCC[NH3+])c1F ZINC001170906871 813632736 /nfs/dbraw/zinc/63/27/36/813632736.db2.gz YJIOSIHFGSOZAO-AWEZNQCLSA-N 2 1 282.407 2.103 20 0 CEADMP C[N@@H+](CCO)CCC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170919348 813643754 /nfs/dbraw/zinc/64/37/54/813643754.db2.gz YRGRYIARUYLEPQ-CQSZACIVSA-N 2 1 296.842 2.101 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000399261747 813704839 /nfs/dbraw/zinc/70/48/39/813704839.db2.gz OYERMUNQSOXOMM-VHSXEESVSA-N 2 1 251.201 2.112 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000399261747 813704843 /nfs/dbraw/zinc/70/48/43/813704843.db2.gz OYERMUNQSOXOMM-VHSXEESVSA-N 2 1 251.201 2.112 20 0 CEADMP CCCC[NH+](CCCC)CC[NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246194740 813726194 /nfs/dbraw/zinc/72/61/94/813726194.db2.gz UBUCRXRENZXNHA-FVQHAEBGSA-N 3 1 281.488 2.476 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC001246198605 813727527 /nfs/dbraw/zinc/72/75/27/813727527.db2.gz QMRDRDTWDLRVGJ-GJZGRUSLSA-N 3 1 265.445 2.031 20 0 CEADMP [NH3+]CC1([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171032048 813760349 /nfs/dbraw/zinc/76/03/49/813760349.db2.gz AYRSWBHCBAXLRZ-LLVKDONJSA-N 2 1 250.773 2.278 20 0 CEADMP CC(C)[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1cnc[nH]1 ZINC001074022009 813797651 /nfs/dbraw/zinc/79/76/51/813797651.db2.gz LVSLRXBPRKORFF-OAHLLOKOSA-N 2 1 292.427 2.064 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1cnc[nH]1 ZINC001074022009 813797657 /nfs/dbraw/zinc/79/76/57/813797657.db2.gz LVSLRXBPRKORFF-OAHLLOKOSA-N 2 1 292.427 2.064 20 0 CEADMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC1)[NH+](C)C ZINC001074067075 813801196 /nfs/dbraw/zinc/80/11/96/813801196.db2.gz ZJVLKUFTZDNORM-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP COc1cccc(C2([NH2+][C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC001246364361 813802301 /nfs/dbraw/zinc/80/23/01/813802301.db2.gz VSZXWBAVWSLFQG-TZMCWYRMSA-N 2 1 260.381 2.414 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001171087127 813842690 /nfs/dbraw/zinc/84/26/90/813842690.db2.gz LNVNQLRVGLGPIK-LSDHHAIUSA-N 2 1 277.412 2.329 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001171087127 813842700 /nfs/dbraw/zinc/84/27/00/813842700.db2.gz LNVNQLRVGLGPIK-LSDHHAIUSA-N 2 1 277.412 2.329 20 0 CEADMP C([NH2+][C@@H]1CCCC2(CCCCC2)C1)[C@H]1C[NH2+]CCN1 ZINC001246496326 813868419 /nfs/dbraw/zinc/86/84/19/813868419.db2.gz LYSOESPJXFWQOB-HUUCEWRRSA-N 2 1 265.445 2.031 20 0 CEADMP NC[C@H]1CCCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246537048 813928230 /nfs/dbraw/zinc/92/82/30/813928230.db2.gz ASTUDDUCVWNNGU-OAHLLOKOSA-N 2 1 265.445 2.112 20 0 CEADMP [NH3+]C[C@H]1CCCCN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246537048 813928235 /nfs/dbraw/zinc/92/82/35/813928235.db2.gz ASTUDDUCVWNNGU-OAHLLOKOSA-N 2 1 265.445 2.112 20 0 CEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001246540350 813951571 /nfs/dbraw/zinc/95/15/71/813951571.db2.gz GNOHPMVUJBPQCR-UBHSHLNASA-N 2 1 262.372 2.495 20 0 CEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001246540350 813951578 /nfs/dbraw/zinc/95/15/78/813951578.db2.gz GNOHPMVUJBPQCR-UBHSHLNASA-N 2 1 262.372 2.495 20 0 CEADMP Cc1c(O)cccc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001144110763 813957587 /nfs/dbraw/zinc/95/75/87/813957587.db2.gz OYUAJBUTVKMCLZ-CABCVRRESA-N 2 1 260.381 2.084 20 0 CEADMP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246542489 813957706 /nfs/dbraw/zinc/95/77/06/813957706.db2.gz PPFCPPZMQCMYCM-KBXIAJHMSA-N 3 1 253.434 2.109 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([NH3+])CC2)C[C@H](CC)[NH2+]1 ZINC001246542489 813957711 /nfs/dbraw/zinc/95/77/11/813957711.db2.gz PPFCPPZMQCMYCM-KBXIAJHMSA-N 3 1 253.434 2.109 20 0 CEADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(O)c3C)C[C@H]2C1 ZINC001144120071 813961407 /nfs/dbraw/zinc/96/14/07/813961407.db2.gz BZKRZWUFPWDQKE-HUUCEWRRSA-N 2 1 260.381 2.084 20 0 CEADMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246547454 813989046 /nfs/dbraw/zinc/98/90/46/813989046.db2.gz IGRDPHLPZMCWDV-ZBFHGGJFSA-N 3 1 283.435 2.062 20 0 CEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001246550743 814005019 /nfs/dbraw/zinc/00/50/19/814005019.db2.gz YPJUWAVATLJIJX-UBHSHLNASA-N 2 1 262.372 2.495 20 0 CEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001246550743 814005028 /nfs/dbraw/zinc/00/50/28/814005028.db2.gz YPJUWAVATLJIJX-UBHSHLNASA-N 2 1 262.372 2.495 20 0 CEADMP CC(C)(C)[C@H]1C[C@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246551089 814008216 /nfs/dbraw/zinc/00/82/16/814008216.db2.gz KPOALJPHYNVSIL-FMKPAKJESA-N 3 1 267.461 2.356 20 0 CEADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246551089 814008225 /nfs/dbraw/zinc/00/82/25/814008225.db2.gz KPOALJPHYNVSIL-FMKPAKJESA-N 3 1 267.461 2.356 20 0 CEADMP CC(C)[NH+]1CCC([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)CC1 ZINC001246559239 814040944 /nfs/dbraw/zinc/04/09/44/814040944.db2.gz ORCNXLBCUCPLQY-LSDHHAIUSA-N 3 1 267.461 2.166 20 0 CEADMP CC(C)N1CCC([N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)CC1 ZINC001246559239 814040952 /nfs/dbraw/zinc/04/09/52/814040952.db2.gz ORCNXLBCUCPLQY-LSDHHAIUSA-N 2 1 267.461 2.166 20 0 CEADMP CC(C)N1CCC([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)CC1 ZINC001246559239 814040960 /nfs/dbraw/zinc/04/09/60/814040960.db2.gz ORCNXLBCUCPLQY-LSDHHAIUSA-N 2 1 267.461 2.166 20 0 CEADMP C[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)CC[C@H]1C[NH3+] ZINC001246562660 814050959 /nfs/dbraw/zinc/05/09/59/814050959.db2.gz VZNAXHZZRKECNQ-QVOMUQBLSA-N 3 1 267.461 2.166 20 0 CEADMP CCOC(=O)CC[C@@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246572077 814098026 /nfs/dbraw/zinc/09/80/26/814098026.db2.gz DEAJWHLWMILNRV-UKRRQHHQSA-N 2 1 270.417 2.169 20 0 CEADMP CCOC(=O)CC[C@H](C)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246572080 814098359 /nfs/dbraw/zinc/09/83/59/814098359.db2.gz DEAJWHLWMILNRV-ZFWWWQNUSA-N 2 1 270.417 2.169 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CCC(C)C)C1 ZINC001100456771 814130584 /nfs/dbraw/zinc/13/05/84/814130584.db2.gz BAGOLJUHQDYARV-UHFFFAOYSA-N 2 1 297.487 2.247 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@H+](C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001246579328 814144088 /nfs/dbraw/zinc/14/40/88/814144088.db2.gz UPJWSVNMDHLHGU-IOASZLSFSA-N 2 1 264.413 2.195 20 0 CEADMP CCCCC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001100676023 814170543 /nfs/dbraw/zinc/17/05/43/814170543.db2.gz HJNRNTQUELVMSW-FHERZECASA-N 2 1 295.471 2.145 20 0 CEADMP C1CC[C@@]2(CCCC[N@H+]([C@@H]3CCC[NH2+]CC3)C2)C[NH2+]C1 ZINC001246601014 814200400 /nfs/dbraw/zinc/20/04/00/814200400.db2.gz FTVURTITRJUMOB-IAGOWNOFSA-N 3 1 279.472 2.374 20 0 CEADMP C1CC[C@@]2(CCCCN([C@@H]3CCC[NH2+]CC3)C2)C[NH2+]C1 ZINC001246601014 814200407 /nfs/dbraw/zinc/20/04/07/814200407.db2.gz FTVURTITRJUMOB-IAGOWNOFSA-N 2 1 279.472 2.374 20 0 CEADMP CC(C)OCC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246613410 814213813 /nfs/dbraw/zinc/21/38/13/814213813.db2.gz ZGBACIBCMPGPSZ-GJZGRUSLSA-N 2 1 254.418 2.408 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171247550 814223213 /nfs/dbraw/zinc/22/32/13/814223213.db2.gz MDMQMAGDLFTHTK-UONOGXRCSA-N 2 1 292.427 2.045 20 0 CEADMP CCCC[C@@H](CC(C)C)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246631073 814230734 /nfs/dbraw/zinc/23/07/34/814230734.db2.gz RAZWJPGQAQJHRO-JKSUJKDBSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CCO[C@H]3C[NH2+]CC[C@@H]32)CC(C)(C)C1 ZINC001246666805 814250937 /nfs/dbraw/zinc/25/09/37/814250937.db2.gz RUXFTNJWRBEWPZ-QPSCCSFWSA-N 2 1 266.429 2.264 20 0 CEADMP CCC(CC)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161042372 814463076 /nfs/dbraw/zinc/46/30/76/814463076.db2.gz PIBLVKJFQJFOTM-OAHLLOKOSA-N 2 1 283.460 2.003 20 0 CEADMP CCC/C=C/CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161043130 814468357 /nfs/dbraw/zinc/46/83/57/814468357.db2.gz YBBLVUXNOVDEDQ-JFDDCEBESA-N 2 1 295.471 2.313 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+](C2CCC2)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246977725 814480150 /nfs/dbraw/zinc/48/01/50/814480150.db2.gz QPEKPMLEMMAWLX-CZUORRHYSA-N 3 1 265.445 2.124 20 0 CEADMP CC[C@@H]1C[C@H]([N@@H+](C2CCC2)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246977725 814480154 /nfs/dbraw/zinc/48/01/54/814480154.db2.gz QPEKPMLEMMAWLX-CZUORRHYSA-N 3 1 265.445 2.124 20 0 CEADMP CCN(CC[NH2+]CC(C)C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001273448567 814634804 /nfs/dbraw/zinc/63/48/04/814634804.db2.gz DJCUJHXOBVXVKV-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](O)CC2)CC1 ZINC001173110775 815582606 /nfs/dbraw/zinc/58/26/06/815582606.db2.gz XNMBDDMUWPSXPZ-GPANFISMSA-N 2 1 268.445 2.486 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2[C@@H](C)CC[C@H]2CO)CC1 ZINC001173110044 815582859 /nfs/dbraw/zinc/58/28/59/815582859.db2.gz NLYDLZAEKHWKDJ-LBDPXKHJSA-N 2 1 268.445 2.485 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCN(C)[C@H](C)C2)CC1 ZINC001173114508 815583949 /nfs/dbraw/zinc/58/39/49/815583949.db2.gz NCNBLJQAYKTZCQ-QQFBHYJXSA-N 2 1 267.461 2.275 20 0 CEADMP CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115596366 814726545 /nfs/dbraw/zinc/72/65/45/814726545.db2.gz DNGAEJYJKFSYAI-HNNXBMFYSA-N 2 1 295.471 2.289 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCC4(CCC4)O3)C[C@H]21 ZINC000712462559 814749535 /nfs/dbraw/zinc/74/95/35/814749535.db2.gz IVVHJYBMKANGJG-KBUPBQIOSA-N 2 1 264.413 2.147 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCC3(CCC3)O2)C[C@H]1C[NH3+] ZINC000712504945 814751715 /nfs/dbraw/zinc/75/17/15/814751715.db2.gz SZPCCBCOFBZQOT-BARDWOONSA-N 2 1 266.429 2.393 20 0 CEADMP C([C@H]1CCC2(CCC2)O1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713126641 814845213 /nfs/dbraw/zinc/84/52/13/814845213.db2.gz VVXPHDJGYAMKJT-CQSZACIVSA-N 2 1 264.413 2.306 20 0 CEADMP C([C@H]1CCC2(CCC2)O1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713126641 814845216 /nfs/dbraw/zinc/84/52/16/814845216.db2.gz VVXPHDJGYAMKJT-CQSZACIVSA-N 2 1 264.413 2.306 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCCOC(F)(F)F ZINC000713406595 814851559 /nfs/dbraw/zinc/85/15/59/814851559.db2.gz RMBRDZBFVMMMDV-SNVBAGLBSA-N 2 1 254.296 2.116 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)OC1 ZINC000713584964 814865397 /nfs/dbraw/zinc/86/53/97/814865397.db2.gz HOUPGUOSXIDGQX-YJNKXOJESA-N 2 1 266.429 2.251 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H]1CCC(C)(C)CO1)C2 ZINC000713590078 814866018 /nfs/dbraw/zinc/86/60/18/814866018.db2.gz AIWWAUHNNMURML-BMFZPTHFSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1CCC(C)(C)CO1)C2 ZINC000713590078 814866026 /nfs/dbraw/zinc/86/60/26/814866026.db2.gz AIWWAUHNNMURML-BMFZPTHFSA-N 2 1 266.429 2.123 20 0 CEADMP CCC[N@H+]1CCCC[C@H]1C(=O)OCCC[NH+]1CCCC1 ZINC001116918471 814891837 /nfs/dbraw/zinc/89/18/37/814891837.db2.gz AMTUMUAUGUDTQD-HNNXBMFYSA-N 2 1 282.428 2.280 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@@H](CC[NH3+])C2)O1 ZINC000714380729 814893474 /nfs/dbraw/zinc/89/34/74/814893474.db2.gz SFIBAZXRNWWVIK-UONOGXRCSA-N 2 1 254.418 2.395 20 0 CEADMP COc1ccnc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c1 ZINC001276391723 815655730 /nfs/dbraw/zinc/65/57/30/815655730.db2.gz UBPCKLNOSPOYQO-UHFFFAOYSA-N 2 1 275.396 2.008 20 0 CEADMP CCSC[C@H](C)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001173314043 815663648 /nfs/dbraw/zinc/66/36/48/815663648.db2.gz FTGDBCCUWHFWRI-HNNXBMFYSA-N 2 1 299.528 2.087 20 0 CEADMP C[N@H+](Cc1ccc(-n2cccn2)cc1)C1CC[NH+](C)CC1 ZINC001137754112 815677037 /nfs/dbraw/zinc/67/70/37/815677037.db2.gz MAJLULXWRDGDKR-UHFFFAOYSA-N 2 1 284.407 2.398 20 0 CEADMP C[N@@H+](Cc1ccc(-n2cccn2)cc1)C1CC[NH+](C)CC1 ZINC001137754112 815677038 /nfs/dbraw/zinc/67/70/38/815677038.db2.gz MAJLULXWRDGDKR-UHFFFAOYSA-N 2 1 284.407 2.398 20 0 CEADMP C[NH+]1CC2(C1)CC[NH+](Cc1scnc1Cl)CC2 ZINC001137823951 815689246 /nfs/dbraw/zinc/68/92/46/815689246.db2.gz UNGWUMOANVNRGM-UHFFFAOYSA-N 2 1 271.817 2.324 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001173356880 815697582 /nfs/dbraw/zinc/69/75/82/815697582.db2.gz LNNVMLHJSOMUAK-MRXNPFEDSA-N 2 1 265.445 2.031 20 0 CEADMP CC[N@@H+]1CC[C@@H](N2CC[NH+](C3(c4ccccc4)CC3)CC2)C1 ZINC001173367454 815705191 /nfs/dbraw/zinc/70/51/91/815705191.db2.gz GYZOJEFMNGPYCR-GOSISDBHSA-N 2 1 299.462 2.388 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C3(c4ccccc4)CC3)CC2)C1 ZINC001173367454 815705195 /nfs/dbraw/zinc/70/51/95/815705195.db2.gz GYZOJEFMNGPYCR-GOSISDBHSA-N 2 1 299.462 2.388 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001173370593 815707468 /nfs/dbraw/zinc/70/74/68/815707468.db2.gz ISGGZXKHRGCMRM-GVDBMIGSSA-N 2 1 279.472 2.419 20 0 CEADMP CC[NH+]1CC[C@@H](N2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001173370593 815707471 /nfs/dbraw/zinc/70/74/71/815707471.db2.gz ISGGZXKHRGCMRM-GVDBMIGSSA-N 2 1 279.472 2.419 20 0 CEADMP CC[NH+]1CC[C@@H](N2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001173370593 815707474 /nfs/dbraw/zinc/70/74/74/815707474.db2.gz ISGGZXKHRGCMRM-GVDBMIGSSA-N 2 1 279.472 2.419 20 0 CEADMP CCOC(=O)[C@@H]1CC12CCC([NH2+]C1CC[NH+](C)CC1)CC2 ZINC001173598551 815757152 /nfs/dbraw/zinc/75/71/52/815757152.db2.gz CKCAPNBUHBSZIX-GULBITTBSA-N 2 1 294.439 2.182 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001173619985 815764296 /nfs/dbraw/zinc/76/42/96/815764296.db2.gz DKIMFVXGGCXDFQ-ILXRZTDVSA-N 2 1 282.428 2.040 20 0 CEADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N(C)C)s3)C[C@@H]2C1 ZINC001138494979 815816111 /nfs/dbraw/zinc/81/61/11/815816111.db2.gz SEHNBZNDENQLRB-BETUJISGSA-N 2 1 279.453 2.198 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N(C)C)s3)C[C@@H]2C1 ZINC001138494979 815816118 /nfs/dbraw/zinc/81/61/18/815816118.db2.gz SEHNBZNDENQLRB-BETUJISGSA-N 2 1 279.453 2.198 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N(C)C)s3)C[C@@H]2C1 ZINC001138494979 815816124 /nfs/dbraw/zinc/81/61/24/815816124.db2.gz SEHNBZNDENQLRB-BETUJISGSA-N 2 1 279.453 2.198 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N(C)C)s3)C[C@@H]2C1 ZINC001138494979 815816132 /nfs/dbraw/zinc/81/61/32/815816132.db2.gz SEHNBZNDENQLRB-BETUJISGSA-N 2 1 279.453 2.198 20 0 CEADMP CNc1ncccc1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001138694988 815868789 /nfs/dbraw/zinc/86/87/89/815868789.db2.gz QNTPDMPOBZEETG-UHFFFAOYSA-N 2 1 297.406 2.149 20 0 CEADMP CCC[N@@H+]1C[C@H]2CN(Cc3cnc4ccccc4n3)C[C@H]2C1 ZINC001138868048 815919936 /nfs/dbraw/zinc/91/99/36/815919936.db2.gz PEJXPULBXDUODQ-GASCZTMLSA-N 2 1 296.418 2.403 20 0 CEADMP C[C@H]1CC[N@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC001139054692 815951039 /nfs/dbraw/zinc/95/10/39/815951039.db2.gz FLAJHYYDKYPQKM-AWEZNQCLSA-N 2 1 260.381 2.113 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2nonc2c1 ZINC001139223425 815991200 /nfs/dbraw/zinc/99/12/00/815991200.db2.gz NVOGKSJGEXZPHZ-UHFFFAOYSA-N 2 1 276.384 2.387 20 0 CEADMP O[C@H]1CCCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC001139356457 816010674 /nfs/dbraw/zinc/01/06/74/816010674.db2.gz MEZPCJBHMNREQZ-INIZCTEOSA-N 2 1 271.364 2.219 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC)C1 ZINC001174879972 816104948 /nfs/dbraw/zinc/10/49/48/816104948.db2.gz AUJQVBKOLPXZRI-HZPDHXFCSA-N 2 1 297.487 2.393 20 0 CEADMP Cn1ncc2cc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)ccc21 ZINC001139952289 816149086 /nfs/dbraw/zinc/14/90/86/816149086.db2.gz GFMDJHMEPVUXPK-KRWDZBQOSA-N 2 1 284.407 2.101 20 0 CEADMP Cn1ncc2cc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)ccc21 ZINC001139952289 816149090 /nfs/dbraw/zinc/14/90/90/816149090.db2.gz GFMDJHMEPVUXPK-KRWDZBQOSA-N 2 1 284.407 2.101 20 0 CEADMP Cn1ncc2cc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)ccc21 ZINC001139952289 816149093 /nfs/dbraw/zinc/14/90/93/816149093.db2.gz GFMDJHMEPVUXPK-KRWDZBQOSA-N 2 1 284.407 2.101 20 0 CEADMP Cn1ncc2cc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)ccc21 ZINC001139952289 816149098 /nfs/dbraw/zinc/14/90/98/816149098.db2.gz GFMDJHMEPVUXPK-KRWDZBQOSA-N 2 1 284.407 2.101 20 0 CEADMP Cc1cc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(C)cc1O ZINC001140202698 816210653 /nfs/dbraw/zinc/21/06/53/816210653.db2.gz VMNPCRXMHZQPBY-NVXWUHKLSA-N 2 1 274.408 2.393 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(C)cc1O ZINC001140202698 816210656 /nfs/dbraw/zinc/21/06/56/816210656.db2.gz VMNPCRXMHZQPBY-NVXWUHKLSA-N 2 1 274.408 2.393 20 0 CEADMP CSCC[N@@H+](C)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140975892 816428010 /nfs/dbraw/zinc/42/80/10/816428010.db2.gz YZVYPYRDXLDZTL-UHFFFAOYSA-N 2 1 293.480 2.233 20 0 CEADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176759224 816473183 /nfs/dbraw/zinc/47/31/83/816473183.db2.gz GURJPFWGWSVJLG-HNNXBMFYSA-N 2 1 285.476 2.391 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176760489 816474638 /nfs/dbraw/zinc/47/46/38/816474638.db2.gz YOIQMSZUUIYIKJ-AWEZNQCLSA-N 2 1 271.449 2.001 20 0 CEADMP C[NH+](C)CCO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001206288130 816497641 /nfs/dbraw/zinc/49/76/41/816497641.db2.gz WACLHFGETRDIPX-KZNAEPCWSA-N 2 1 288.435 2.475 20 0 CEADMP CCCC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001177021358 816508004 /nfs/dbraw/zinc/50/80/04/816508004.db2.gz SHLQUCLRIHSOIL-INIZCTEOSA-N 2 1 291.439 2.185 20 0 CEADMP C[C@H](CC[NH+](C)C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC001141745921 816584225 /nfs/dbraw/zinc/58/42/25/816584225.db2.gz CFOUYMQXWZCWTN-HZPDHXFCSA-N 2 1 297.487 2.345 20 0 CEADMP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045680 816663639 /nfs/dbraw/zinc/66/36/39/816663639.db2.gz RVMAVZHPQIGBCE-CVEARBPZSA-N 2 1 297.487 2.393 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1F ZINC001206326435 816732551 /nfs/dbraw/zinc/73/25/51/816732551.db2.gz NHHKTFZMXSNNMZ-OAHLLOKOSA-N 2 1 265.376 2.480 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(C[NH3+])c2)CC1 ZINC001206327412 816741407 /nfs/dbraw/zinc/74/14/07/816741407.db2.gz WDVCBSLUHSOEOA-MRXNPFEDSA-N 3 1 261.413 2.096 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc4cccnc4[nH]3)C2)CC1 ZINC001143224112 816816600 /nfs/dbraw/zinc/81/66/00/816816600.db2.gz PGMOKWTXVOYJRL-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580393 816885968 /nfs/dbraw/zinc/88/59/68/816885968.db2.gz FIPFFMJJKMDZCS-HNNXBMFYSA-N 2 1 283.460 2.147 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000601281532 346811995 /nfs/dbraw/zinc/81/19/95/346811995.db2.gz POJHXRLUVQPUMU-VQCLRJIVSA-N 2 1 282.428 2.040 20 0 CEADMP CCC[NH2+][C@@H](C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000449083077 282093497 /nfs/dbraw/zinc/09/34/97/282093497.db2.gz AKVBQKVOUQRYFC-CABCVRRESA-N 2 1 283.460 2.003 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000127691533 187326416 /nfs/dbraw/zinc/32/64/16/187326416.db2.gz ZRJZEIWMFOWBIR-BRWVUGGUSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127691533 187326417 /nfs/dbraw/zinc/32/64/17/187326417.db2.gz ZRJZEIWMFOWBIR-BRWVUGGUSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127691533 187326419 /nfs/dbraw/zinc/32/64/19/187326419.db2.gz ZRJZEIWMFOWBIR-BRWVUGGUSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000449094767 282098524 /nfs/dbraw/zinc/09/85/24/282098524.db2.gz UAHYTOFFDRBIFE-YCPHGPKFSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000336525834 365597351 /nfs/dbraw/zinc/59/73/51/365597351.db2.gz HPPQACUEYBBVCD-WBMJQRKESA-N 2 1 272.396 2.335 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c[nH]nc2c1 ZINC000336525834 365597356 /nfs/dbraw/zinc/59/73/56/365597356.db2.gz HPPQACUEYBBVCD-WBMJQRKESA-N 2 1 272.396 2.335 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c[nH]nc2c1 ZINC000336525834 365597361 /nfs/dbraw/zinc/59/73/61/365597361.db2.gz HPPQACUEYBBVCD-WBMJQRKESA-N 2 1 272.396 2.335 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000336525834 365597366 /nfs/dbraw/zinc/59/73/66/365597366.db2.gz HPPQACUEYBBVCD-WBMJQRKESA-N 2 1 272.396 2.335 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000127769495 187331652 /nfs/dbraw/zinc/33/16/52/187331652.db2.gz BXIZBZNONDRABL-HNNXBMFYSA-N 2 1 263.429 2.483 20 0 CEADMP CC1CC[NH+](CCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000127774421 187332151 /nfs/dbraw/zinc/33/21/51/187332151.db2.gz FSPAQPLLFYQYCY-DLBZAZTESA-N 2 1 279.472 2.325 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000449122547 282108903 /nfs/dbraw/zinc/10/89/03/282108903.db2.gz LQNRGAXUJYSMNL-ZNMIVQPWSA-N 2 1 297.487 2.390 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCCn1cc[nH+]c1C ZINC000449136745 282114471 /nfs/dbraw/zinc/11/44/71/282114471.db2.gz WDVUGQWDMWRTOV-AWEZNQCLSA-N 2 1 294.443 2.112 20 0 CEADMP CCC(CC)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000336790782 282121334 /nfs/dbraw/zinc/12/13/34/282121334.db2.gz MEWKGOFWCOYWJB-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC[NH+]1CCCCC1 ZINC000336561922 365647742 /nfs/dbraw/zinc/64/77/42/365647742.db2.gz RYJYDMQNXSNIGH-CVEARBPZSA-N 2 1 265.445 2.031 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601333893 346822701 /nfs/dbraw/zinc/82/27/01/346822701.db2.gz IBLSLWHIYVPYDT-CVEARBPZSA-N 2 1 288.391 2.047 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000621346254 349570053 /nfs/dbraw/zinc/57/00/53/349570053.db2.gz ILSVBDWUAVNHJX-ZDUSSCGKSA-N 2 1 286.379 2.029 20 0 CEADMP CC(C)CCOCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125263019 187176972 /nfs/dbraw/zinc/17/69/72/187176972.db2.gz IYXYEIAEJPPLBE-ZNMIVQPWSA-N 2 1 254.418 2.108 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000337738042 214240137 /nfs/dbraw/zinc/24/01/37/214240137.db2.gz BKJOAIRHTVDASP-INIZCTEOSA-N 2 1 278.396 2.135 20 0 CEADMP C[N@@H+](Cc1ccc2ncccc2c1)C1CC[NH2+]CC1 ZINC000036301500 361839832 /nfs/dbraw/zinc/83/98/32/361839832.db2.gz IOLFZPYQEXLEDF-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP COc1cc(C)c(C[N@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000036300720 361840227 /nfs/dbraw/zinc/84/02/27/361840227.db2.gz DZSHVJNGCFWSIR-UHFFFAOYSA-N 2 1 278.396 2.196 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000036300720 361840232 /nfs/dbraw/zinc/84/02/32/361840232.db2.gz DZSHVJNGCFWSIR-UHFFFAOYSA-N 2 1 278.396 2.196 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1F ZINC000036928414 361871895 /nfs/dbraw/zinc/87/18/95/361871895.db2.gz KVZGZTTZIBZJMU-GFCCVEGCSA-N 2 1 252.333 2.005 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1F ZINC000036928414 361871899 /nfs/dbraw/zinc/87/18/99/361871899.db2.gz KVZGZTTZIBZJMU-GFCCVEGCSA-N 2 1 252.333 2.005 20 0 CEADMP C[N@@H+](CCC[NH2+]C1CCOCC1)C1CCCCC1 ZINC000037901173 361961597 /nfs/dbraw/zinc/96/15/97/361961597.db2.gz JDBHJENDOZFVEI-UHFFFAOYSA-N 2 1 254.418 2.410 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2cccnc2)C1 ZINC000350761597 219058465 /nfs/dbraw/zinc/05/84/65/219058465.db2.gz FECQIRXZGVDKAJ-KRWDZBQOSA-N 2 1 273.424 2.288 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000350761597 219058468 /nfs/dbraw/zinc/05/84/68/219058468.db2.gz FECQIRXZGVDKAJ-KRWDZBQOSA-N 2 1 273.424 2.288 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000350761597 219058469 /nfs/dbraw/zinc/05/84/69/219058469.db2.gz FECQIRXZGVDKAJ-KRWDZBQOSA-N 2 1 273.424 2.288 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000125523215 187189428 /nfs/dbraw/zinc/18/94/28/187189428.db2.gz PEPSADBWWIXTPH-AWEZNQCLSA-N 2 1 292.423 2.396 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000125523215 187189429 /nfs/dbraw/zinc/18/94/29/187189429.db2.gz PEPSADBWWIXTPH-AWEZNQCLSA-N 2 1 292.423 2.396 20 0 CEADMP CCCC[C@@H](COC)[NH2+]CCCn1cc[nH+]c1C ZINC000338012846 214361282 /nfs/dbraw/zinc/36/12/82/214361282.db2.gz AIZLSYFSEVBXLP-AWEZNQCLSA-N 2 1 253.390 2.376 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+]CCCn2cc[nH+]c2C)n1 ZINC000338019590 214363757 /nfs/dbraw/zinc/36/37/57/214363757.db2.gz XOXIMIASOBQJSJ-CYBMUJFWSA-N 2 1 288.395 2.206 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000414975096 529452772 /nfs/dbraw/zinc/45/27/72/529452772.db2.gz FVVZRNYUBDYQMC-ZDUSSCGKSA-N 2 1 262.332 2.043 20 0 CEADMP Cc1cccc(CC[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000449301369 282178619 /nfs/dbraw/zinc/17/86/19/282178619.db2.gz HEQXEQFZYDWLCK-UHFFFAOYSA-N 2 1 289.467 2.153 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000166570763 539165410 /nfs/dbraw/zinc/16/54/10/539165410.db2.gz CUBAOEVZDBQWHK-HZPDHXFCSA-N 2 1 259.397 2.149 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000125741354 187198610 /nfs/dbraw/zinc/19/86/10/187198610.db2.gz OBGRWLSBNFBBIK-PMPSAXMXSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000125741354 187198611 /nfs/dbraw/zinc/19/86/11/187198611.db2.gz OBGRWLSBNFBBIK-PMPSAXMXSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000125741354 187198612 /nfs/dbraw/zinc/19/86/12/187198612.db2.gz OBGRWLSBNFBBIK-PMPSAXMXSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000125741354 187198613 /nfs/dbraw/zinc/19/86/13/187198613.db2.gz OBGRWLSBNFBBIK-PMPSAXMXSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000125741354 187198614 /nfs/dbraw/zinc/19/86/14/187198614.db2.gz OBGRWLSBNFBBIK-PMPSAXMXSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000125741354 187198615 /nfs/dbraw/zinc/19/86/15/187198615.db2.gz OBGRWLSBNFBBIK-PMPSAXMXSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000125741354 187198616 /nfs/dbraw/zinc/19/86/16/187198616.db2.gz OBGRWLSBNFBBIK-PMPSAXMXSA-N 3 1 267.461 2.179 20 0 CEADMP CN1CC(C[N@H+](C)Cc2cnc(C(C)(C)C)s2)C1 ZINC000668539927 539193844 /nfs/dbraw/zinc/19/38/44/539193844.db2.gz QDTUXYMFLZOJGS-UHFFFAOYSA-N 2 1 267.442 2.434 20 0 CEADMP CN1CC(C[N@@H+](C)Cc2cnc(C(C)(C)C)s2)C1 ZINC000668539927 539193845 /nfs/dbraw/zinc/19/38/45/539193845.db2.gz QDTUXYMFLZOJGS-UHFFFAOYSA-N 2 1 267.442 2.434 20 0 CEADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C(C)C ZINC000125929621 187205300 /nfs/dbraw/zinc/20/53/00/187205300.db2.gz XGRYMRPDIXBWKN-CABCVRRESA-N 2 1 256.434 2.367 20 0 CEADMP Cc1cccc(CC[N@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000449329666 282189587 /nfs/dbraw/zinc/18/95/87/282189587.db2.gz PFXSNVQJPUYEPP-UHFFFAOYSA-N 2 1 291.483 2.353 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cn1 ZINC000621776293 349698698 /nfs/dbraw/zinc/69/86/98/349698698.db2.gz ICYLDOMFDPAKFG-UKRRQHHQSA-N 2 1 277.412 2.430 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCCOc1ccc(F)cc1)C2 ZINC000621778915 349700450 /nfs/dbraw/zinc/70/04/50/349700450.db2.gz XCWBGPFNKNIWCF-BBRMVZONSA-N 2 1 278.371 2.408 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCCOc1ccc(F)cc1)C2 ZINC000621778915 349700452 /nfs/dbraw/zinc/70/04/52/349700452.db2.gz XCWBGPFNKNIWCF-BBRMVZONSA-N 2 1 278.371 2.408 20 0 CEADMP CO[C@H](C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1)c1ccccc1 ZINC000621784325 349702458 /nfs/dbraw/zinc/70/24/58/349702458.db2.gz NIXSDIYURUFBKE-BZUAXINKSA-N 2 1 260.381 2.187 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1)c1ccccc1 ZINC000621784325 349702459 /nfs/dbraw/zinc/70/24/59/349702459.db2.gz NIXSDIYURUFBKE-BZUAXINKSA-N 2 1 260.381 2.187 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(CO)cc2)[C@H](C)C1 ZINC000126271553 539228584 /nfs/dbraw/zinc/22/85/84/539228584.db2.gz KBPFDJJAFOIQAZ-PBHICJAKSA-N 2 1 276.424 2.041 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCO)CCc1ccccc1 ZINC000305750064 539233693 /nfs/dbraw/zinc/23/36/93/539233693.db2.gz YFNZXRZQCPOBKK-QGZVFWFLSA-N 2 1 276.424 2.008 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCO)CCc1ccccc1 ZINC000305750064 539233694 /nfs/dbraw/zinc/23/36/94/539233694.db2.gz YFNZXRZQCPOBKK-QGZVFWFLSA-N 2 1 276.424 2.008 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCO)CCc1ccccc1 ZINC000305750064 539233696 /nfs/dbraw/zinc/23/36/96/539233696.db2.gz YFNZXRZQCPOBKK-QGZVFWFLSA-N 2 1 276.424 2.008 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000449367419 282202894 /nfs/dbraw/zinc/20/28/94/282202894.db2.gz WDTCJBQOUAFFSI-LSDHHAIUSA-N 2 1 297.487 2.343 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000449374367 282204436 /nfs/dbraw/zinc/20/44/36/282204436.db2.gz AEQYSMQIMUQZGR-UHFFFAOYSA-N 2 1 252.402 2.187 20 0 CEADMP CC[NH+](CC)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000081396843 539264842 /nfs/dbraw/zinc/26/48/42/539264842.db2.gz QPIBLYDOOXVOCZ-CQSZACIVSA-N 2 1 294.443 2.243 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CCC(C)(C)O1 ZINC000360118063 282215634 /nfs/dbraw/zinc/21/56/34/282215634.db2.gz ZMMDFNJWOLRHAZ-QXSJWSMHSA-N 2 1 296.455 2.128 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000675748082 539301312 /nfs/dbraw/zinc/30/13/12/539301312.db2.gz ADJSKHVYXCSCHQ-HNNXBMFYSA-N 2 1 273.424 2.197 20 0 CEADMP CC[N@@H+](CCNc1cc(C(C)C)[nH+]c(N(C)C)n1)C(C)C ZINC000567803883 299093246 /nfs/dbraw/zinc/09/32/46/299093246.db2.gz AKOSPBDWDRJZRL-UHFFFAOYSA-N 2 1 293.459 2.230 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CF)CCOCC2)[C@H](C)C1 ZINC000449489370 282255981 /nfs/dbraw/zinc/25/59/81/282255981.db2.gz RBPYCHRVZZKTHK-KGLIPLIRSA-N 2 1 272.408 2.073 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000449515482 282267949 /nfs/dbraw/zinc/26/79/49/282267949.db2.gz ZOUWSGQWTNIMOJ-CABCVRRESA-N 2 1 282.428 2.182 20 0 CEADMP C[N@@H+](CCC1CCOCC1)C[C@H]1CCC[NH+](C)C1 ZINC000336702762 365767407 /nfs/dbraw/zinc/76/74/07/365767407.db2.gz IDYGTMBTALWIOE-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000228177610 539325638 /nfs/dbraw/zinc/32/56/38/539325638.db2.gz WUPAUJUJFWTOGL-CABCVRRESA-N 2 1 262.397 2.494 20 0 CEADMP C[C@@H](CN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000449556418 282281797 /nfs/dbraw/zinc/28/17/97/282281797.db2.gz MIVCSNGJMWWKPF-ZOBUZTSGSA-N 2 1 275.440 2.362 20 0 CEADMP C[C@@H](CN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000449556418 282281800 /nfs/dbraw/zinc/28/18/00/282281800.db2.gz MIVCSNGJMWWKPF-ZOBUZTSGSA-N 2 1 275.440 2.362 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCCO2)C[C@@H]1C ZINC000336721084 365783771 /nfs/dbraw/zinc/78/37/71/365783771.db2.gz XJGHFZSETUMPIH-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCCO2)C[C@@H]1C ZINC000336721084 365783772 /nfs/dbraw/zinc/78/37/72/365783772.db2.gz XJGHFZSETUMPIH-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCCO2)C[C@@H]1C ZINC000336721084 365783776 /nfs/dbraw/zinc/78/37/76/365783776.db2.gz XJGHFZSETUMPIH-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCOCC1 ZINC000336714162 365778583 /nfs/dbraw/zinc/77/85/83/365778583.db2.gz QITKZEXLWCVSLY-AWEZNQCLSA-N 2 1 254.418 2.360 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000449560119 282283537 /nfs/dbraw/zinc/28/35/37/282283537.db2.gz GILNUTDAOXDOBV-OHRKKDJYSA-N 2 1 289.423 2.236 20 0 CEADMP COCC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000449561498 282283717 /nfs/dbraw/zinc/28/37/17/282283717.db2.gz VUKPGTHJRCXKAY-SVFSVNPNSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1cncs1)CC[NH2+]CC2 ZINC000335545332 212246926 /nfs/dbraw/zinc/24/69/26/212246926.db2.gz ZQHMSBMKDQTVOU-NSHDSACASA-N 2 1 251.399 2.107 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)CCC1CCCCC1)C1CC1 ZINC000351478937 219101443 /nfs/dbraw/zinc/10/14/43/219101443.db2.gz QAGQHVORKHDAMD-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)CCC1CCCCC1)C1CC1 ZINC000351478937 219101446 /nfs/dbraw/zinc/10/14/46/219101446.db2.gz QAGQHVORKHDAMD-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+](CCC1CCCCC1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351478937 219101447 /nfs/dbraw/zinc/10/14/47/219101447.db2.gz QAGQHVORKHDAMD-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+](CCC1CCCCC1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351478937 219101451 /nfs/dbraw/zinc/10/14/51/219101451.db2.gz QAGQHVORKHDAMD-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@H]1C[C@H](NCCC[NH+]2CCC(C)CC2)C[N@H+]1C1CC1 ZINC000128593476 365797890 /nfs/dbraw/zinc/79/78/90/365797890.db2.gz MDGOXKQJPFCDFA-HOTGVXAUSA-N 2 1 279.472 2.323 20 0 CEADMP Cc1ccc(C[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000351516985 219112458 /nfs/dbraw/zinc/11/24/58/219112458.db2.gz HUASUEKJHLLIBK-QAPCUYQASA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000351516985 219112460 /nfs/dbraw/zinc/11/24/60/219112460.db2.gz HUASUEKJHLLIBK-QAPCUYQASA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccc(C[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351516985 219112461 /nfs/dbraw/zinc/11/24/61/219112461.db2.gz HUASUEKJHLLIBK-QAPCUYQASA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccc(C[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351516985 219112464 /nfs/dbraw/zinc/11/24/64/219112464.db2.gz HUASUEKJHLLIBK-QAPCUYQASA-N 2 1 290.451 2.313 20 0 CEADMP C[N@@H+](CCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411152582 529920640 /nfs/dbraw/zinc/92/06/40/529920640.db2.gz GIKHBTBETATQCD-UHFFFAOYSA-N 2 1 262.397 2.097 20 0 CEADMP C[NH2+]Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000449625719 282308157 /nfs/dbraw/zinc/30/81/57/282308157.db2.gz SYQHCLLMKPZQKJ-UHFFFAOYSA-N 2 1 297.402 2.477 20 0 CEADMP C[NH2+]Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000449625719 282308158 /nfs/dbraw/zinc/30/81/58/282308158.db2.gz SYQHCLLMKPZQKJ-UHFFFAOYSA-N 2 1 297.402 2.477 20 0 CEADMP Cc1nn(C)c(Cl)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000075819447 343868105 /nfs/dbraw/zinc/86/81/05/343868105.db2.gz BFDXMTGGLDZGDM-UHFFFAOYSA-N 2 1 281.791 2.067 20 0 CEADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449640213 282315412 /nfs/dbraw/zinc/31/54/12/282315412.db2.gz APXDPDCWOXXUDO-KGLIPLIRSA-N 2 1 292.427 2.030 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)N2CCCCC2)C1 ZINC000081516850 344055462 /nfs/dbraw/zinc/05/54/62/344055462.db2.gz BXRQCOQSNQGSFD-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)N2CCCCC2)C1 ZINC000081516850 344055467 /nfs/dbraw/zinc/05/54/67/344055467.db2.gz BXRQCOQSNQGSFD-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)N2CCCCC2)C1 ZINC000081516850 344055471 /nfs/dbraw/zinc/05/54/71/344055471.db2.gz BXRQCOQSNQGSFD-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC[NH+](C)CC1 ZINC000088670568 344112202 /nfs/dbraw/zinc/11/22/02/344112202.db2.gz CIHWMYFLMSZDIC-QAPCUYQASA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H](O)C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000305659283 290082128 /nfs/dbraw/zinc/08/21/28/290082128.db2.gz XJUJPJYKTFJXSW-GJZGRUSLSA-N 2 1 268.445 2.486 20 0 CEADMP C[C@H](O)C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000305659283 290082130 /nfs/dbraw/zinc/08/21/30/290082130.db2.gz XJUJPJYKTFJXSW-GJZGRUSLSA-N 2 1 268.445 2.486 20 0 CEADMP C[C@H](O)C[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000305659283 290082133 /nfs/dbraw/zinc/08/21/33/290082133.db2.gz XJUJPJYKTFJXSW-GJZGRUSLSA-N 2 1 268.445 2.486 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(F)cc2F)CC1 ZINC000105476909 344256790 /nfs/dbraw/zinc/25/67/90/344256790.db2.gz MLTCICZDYRMRDB-UHFFFAOYSA-N 2 1 297.393 2.082 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(C(=O)OC)cc2)CC[C@@H]1[NH3+] ZINC000122340906 344305870 /nfs/dbraw/zinc/30/58/70/344305870.db2.gz ZCDLOPOMXDKVBL-ZFWWWQNUSA-N 2 1 276.380 2.032 20 0 CEADMP C[NH+](C)CCC1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000138374501 344389930 /nfs/dbraw/zinc/38/99/30/344389930.db2.gz MTDBXCGHFFRDKA-UHFFFAOYSA-N 2 1 278.400 2.111 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000146574013 344410651 /nfs/dbraw/zinc/41/06/51/344410651.db2.gz LWYOACCRULPQJE-RYUDHWBXSA-N 2 1 258.287 2.256 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000146574013 344410652 /nfs/dbraw/zinc/41/06/52/344410652.db2.gz LWYOACCRULPQJE-RYUDHWBXSA-N 2 1 258.287 2.256 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCO[C@@H]3CCC[C@H]31)C[NH2+]CC2 ZINC000228244220 344559546 /nfs/dbraw/zinc/55/95/46/344559546.db2.gz PDFUATUPKBEPEP-IAGOWNOFSA-N 2 1 272.392 2.086 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000051631380 362432840 /nfs/dbraw/zinc/43/28/40/362432840.db2.gz PXTLRHYWEFFBKI-INIZCTEOSA-N 2 1 255.365 2.339 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000234581960 344585620 /nfs/dbraw/zinc/58/56/20/344585620.db2.gz QGXFMFSHUMRHFA-ZDUSSCGKSA-N 2 1 294.370 2.044 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000234581960 344585623 /nfs/dbraw/zinc/58/56/23/344585623.db2.gz QGXFMFSHUMRHFA-ZDUSSCGKSA-N 2 1 294.370 2.044 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000262625395 344655020 /nfs/dbraw/zinc/65/50/20/344655020.db2.gz BMWDWLIHGCBBEY-OWCLPIDISA-N 2 1 295.471 2.003 20 0 CEADMP CCc1noc(C)c1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000333852754 539401411 /nfs/dbraw/zinc/40/14/11/539401411.db2.gz QIEHUZGSRLFTRB-YGRLFVJLSA-N 2 1 251.374 2.023 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000249083476 344627944 /nfs/dbraw/zinc/62/79/44/344627944.db2.gz RZJVCNBSXWUWFH-LSDHHAIUSA-N 2 1 256.434 2.201 20 0 CEADMP c1ccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000257659735 344648374 /nfs/dbraw/zinc/64/83/74/344648374.db2.gz GCBOWGDWZOZRNM-MRXNPFEDSA-N 2 1 260.381 2.141 20 0 CEADMP CO[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC[C@H]1C ZINC000300022788 344698272 /nfs/dbraw/zinc/69/82/72/344698272.db2.gz VYPSUJJVJQAVHL-DYVFJYSZSA-N 2 1 274.408 2.189 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000417984039 530049075 /nfs/dbraw/zinc/04/90/75/530049075.db2.gz GFEZWYZWGQSLPW-IAGOWNOFSA-N 2 1 288.435 2.227 20 0 CEADMP O[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000449755090 282355296 /nfs/dbraw/zinc/35/52/96/282355296.db2.gz SEURJLDEOMNSRL-NHGGUHBCSA-N 2 1 286.419 2.295 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc2cnccc21 ZINC000401720460 344869633 /nfs/dbraw/zinc/86/96/33/344869633.db2.gz AQFWCXDAPGHWEA-UHFFFAOYSA-N 2 1 266.348 2.301 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](N(C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000449787412 282368333 /nfs/dbraw/zinc/36/83/33/282368333.db2.gz VJFHUANADJBMJI-ZDUSSCGKSA-N 2 1 296.484 2.119 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000449787412 282368335 /nfs/dbraw/zinc/36/83/35/282368335.db2.gz VJFHUANADJBMJI-ZDUSSCGKSA-N 2 1 296.484 2.119 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000584577422 344958938 /nfs/dbraw/zinc/95/89/38/344958938.db2.gz MFAUXFPWXGVMAS-OAHLLOKOSA-N 2 1 299.422 2.055 20 0 CEADMP COCC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CC[C@@H](C)C1 ZINC000584662537 344974834 /nfs/dbraw/zinc/97/48/34/344974834.db2.gz BMZFKRIXKIDTHR-HUUCEWRRSA-N 2 1 279.428 2.490 20 0 CEADMP COCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CC[C@@H](C)C1 ZINC000584662537 344974837 /nfs/dbraw/zinc/97/48/37/344974837.db2.gz BMZFKRIXKIDTHR-HUUCEWRRSA-N 2 1 279.428 2.490 20 0 CEADMP CC[N@@H+](C)CCNC1CC[NH+](Cc2ccccc2)CC1 ZINC000054109764 362512478 /nfs/dbraw/zinc/51/24/78/362512478.db2.gz JQFBPYXSMAPTIN-UHFFFAOYSA-N 2 1 275.440 2.192 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)C(C)(C)C ZINC000336785782 365804771 /nfs/dbraw/zinc/80/47/71/365804771.db2.gz GDCHQZRCJNGFBF-KGLIPLIRSA-N 2 1 256.434 2.200 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)C(C)(C)C ZINC000336785783 365804724 /nfs/dbraw/zinc/80/47/24/365804724.db2.gz GDCHQZRCJNGFBF-UONOGXRCSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH+](C)C3)c2C1 ZINC000591456569 345257702 /nfs/dbraw/zinc/25/77/02/345257702.db2.gz DPKSDICDTPWZSI-AWEZNQCLSA-N 2 1 287.407 2.302 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH+](C)C3)c2C1 ZINC000591456569 345257705 /nfs/dbraw/zinc/25/77/05/345257705.db2.gz DPKSDICDTPWZSI-AWEZNQCLSA-N 2 1 287.407 2.302 20 0 CEADMP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3CC[N@H+](C)C3)c2C1 ZINC000591456569 345257708 /nfs/dbraw/zinc/25/77/08/345257708.db2.gz DPKSDICDTPWZSI-AWEZNQCLSA-N 2 1 287.407 2.302 20 0 CEADMP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3CC[N@@H+](C)C3)c2C1 ZINC000591456569 345257710 /nfs/dbraw/zinc/25/77/10/345257710.db2.gz DPKSDICDTPWZSI-AWEZNQCLSA-N 2 1 287.407 2.302 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[NH3+])c2ccccc21 ZINC000591580652 345266730 /nfs/dbraw/zinc/26/67/30/345266730.db2.gz HTSNFOTYDYTICX-DFBGVHRSSA-N 2 1 276.380 2.105 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(CCCC2)O1)CC(C)(C)C[NH3+] ZINC000229369625 539465694 /nfs/dbraw/zinc/46/56/94/539465694.db2.gz OZHATGMRDSCVKP-CYBMUJFWSA-N 2 1 254.418 2.395 20 0 CEADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CCC[NH+](C)C)CCC2 ZINC000594492639 345637568 /nfs/dbraw/zinc/63/75/68/345637568.db2.gz VZIBDKMIMRVGQE-INIZCTEOSA-N 2 1 290.407 2.392 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000594514312 345641592 /nfs/dbraw/zinc/64/15/92/345641592.db2.gz NSXISRJMHGRAKN-RDBSUJKOSA-N 2 1 284.444 2.284 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1O ZINC000057994087 362603726 /nfs/dbraw/zinc/60/37/26/362603726.db2.gz LSJZDIVIOJCQPY-CYBMUJFWSA-N 2 1 278.396 2.222 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000594917863 345701371 /nfs/dbraw/zinc/70/13/71/345701371.db2.gz KZOIIOXJCPPJSF-KBUPBQIOSA-N 2 1 282.428 2.038 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC3CC=CC3)C2)CC1 ZINC000595337786 345763870 /nfs/dbraw/zinc/76/38/70/345763870.db2.gz KVCYKSQYHKHBNM-KRWDZBQOSA-N 2 1 277.456 2.053 20 0 CEADMP CC(C)=CCC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595341573 345765114 /nfs/dbraw/zinc/76/51/14/345765114.db2.gz WSBUVMYEXYWPIX-QGZVFWFLSA-N 2 1 279.472 2.443 20 0 CEADMP CC(C)C[C@H](CN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000128886486 365808327 /nfs/dbraw/zinc/80/83/27/365808327.db2.gz BCBQXFZBUJZFSY-OFQRWUPVSA-N 2 1 267.461 2.178 20 0 CEADMP CC(C)C[C@H](CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000128886486 365808333 /nfs/dbraw/zinc/80/83/33/365808333.db2.gz BCBQXFZBUJZFSY-OFQRWUPVSA-N 2 1 267.461 2.178 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CO)cc1 ZINC000127579350 187317396 /nfs/dbraw/zinc/31/73/96/187317396.db2.gz BKDMJNGIPPQVPT-RYUDHWBXSA-N 2 1 259.353 2.212 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCc2c1cnn2C)C[NH+]1CCCC1 ZINC000062078314 362704798 /nfs/dbraw/zinc/70/47/98/362704798.db2.gz OVQKMSQXFAKGGP-UKRRQHHQSA-N 2 1 276.428 2.119 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000062072110 362704882 /nfs/dbraw/zinc/70/48/82/362704882.db2.gz IXPYWLLPTRVQSG-AWEZNQCLSA-N 2 1 290.407 2.295 20 0 CEADMP CC(C)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000336790110 365810879 /nfs/dbraw/zinc/81/08/79/365810879.db2.gz KPEDJVFEGIQDOZ-OAHLLOKOSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCCC1 ZINC000336790110 365810882 /nfs/dbraw/zinc/81/08/82/365810882.db2.gz KPEDJVFEGIQDOZ-OAHLLOKOSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCCC1 ZINC000336790110 365810885 /nfs/dbraw/zinc/81/08/85/365810885.db2.gz KPEDJVFEGIQDOZ-OAHLLOKOSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCCC1 ZINC000336790110 365810889 /nfs/dbraw/zinc/81/08/89/365810889.db2.gz KPEDJVFEGIQDOZ-OAHLLOKOSA-N 2 1 254.418 2.095 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598981438 346441071 /nfs/dbraw/zinc/44/10/71/346441071.db2.gz PTKWKPSQLJRLML-OLZOCXBDSA-N 2 1 284.444 2.427 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)[C@H]1C ZINC000598994326 346443356 /nfs/dbraw/zinc/44/33/56/346443356.db2.gz KBCBHNGVYWQKDK-VGWMRTNUSA-N 2 1 296.455 2.286 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000599070056 346456124 /nfs/dbraw/zinc/45/61/24/346456124.db2.gz JSJOSZIYIKGYGH-KGLIPLIRSA-N 2 1 284.444 2.428 20 0 CEADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2cc(C)ccc2C)CC1 ZINC000063165982 362753970 /nfs/dbraw/zinc/75/39/70/362753970.db2.gz SUKYMWZNRSVGDO-UHFFFAOYSA-N 2 1 289.423 2.173 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600168203 346612712 /nfs/dbraw/zinc/61/27/12/346612712.db2.gz GYRMYHIIPMXCRP-MJBXVCDLSA-N 2 1 282.428 2.181 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CC[NH+]2CCCCC2)C[C@H]1C ZINC000336801557 365832286 /nfs/dbraw/zinc/83/22/86/365832286.db2.gz QNBOFGYKYOOOML-HZPDHXFCSA-N 2 1 267.461 2.277 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C[C@H]1C ZINC000600679317 346672827 /nfs/dbraw/zinc/67/28/27/346672827.db2.gz HUBZNFMCCBNJRV-UXXRCYHCSA-N 2 1 282.428 2.084 20 0 CEADMP CSCc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000600734929 346681055 /nfs/dbraw/zinc/68/10/55/346681055.db2.gz RINNTRIYMSVVKQ-MRXNPFEDSA-N 2 1 294.464 2.096 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CCOCC2)[C@@H](C)C1 ZINC000336815723 365858486 /nfs/dbraw/zinc/85/84/86/365858486.db2.gz ITJVIXAXEMJLIC-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2CCOCC2)[C@@H](C)C1 ZINC000336815723 365858492 /nfs/dbraw/zinc/85/84/92/365858492.db2.gz ITJVIXAXEMJLIC-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2CCOCC2)[C@@H](C)C1 ZINC000336815723 365858500 /nfs/dbraw/zinc/85/85/00/365858500.db2.gz ITJVIXAXEMJLIC-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)CC1CCOCC1 ZINC000336819079 365864484 /nfs/dbraw/zinc/86/44/84/365864484.db2.gz YDMQGTMMEKZFTO-HZPDHXFCSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000336821329 365870184 /nfs/dbraw/zinc/87/01/84/365870184.db2.gz HKLZMBNYRCJBOJ-JKSUJKDBSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000336821329 365870188 /nfs/dbraw/zinc/87/01/88/365870188.db2.gz HKLZMBNYRCJBOJ-JKSUJKDBSA-N 2 1 277.412 2.473 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](CCOCC3CCCC3)C2)C1 ZINC000459486161 290161900 /nfs/dbraw/zinc/16/19/00/290161900.db2.gz FNCOQBVRQALFDI-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CCOCC3CCCC3)C2)C1 ZINC000459486161 290161901 /nfs/dbraw/zinc/16/19/01/290161901.db2.gz FNCOQBVRQALFDI-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CCOCC3CCCC3)C2)C1 ZINC000459486161 290161902 /nfs/dbraw/zinc/16/19/02/290161902.db2.gz FNCOQBVRQALFDI-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](CCOCC3CCCC3)C2)C1 ZINC000459486161 290161903 /nfs/dbraw/zinc/16/19/03/290161903.db2.gz FNCOQBVRQALFDI-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCn2nc(C)cc2C)C[C@H]1C ZINC000336823861 365877674 /nfs/dbraw/zinc/87/76/74/365877674.db2.gz RPNMYMCMHLAYLZ-ZBFHGGJFSA-N 2 1 278.444 2.305 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000568320945 299138326 /nfs/dbraw/zinc/13/83/26/299138326.db2.gz SEPAXRLLCMFFFR-HNNXBMFYSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCn2nc(C)cc2C)C[C@H]1C ZINC000336823861 365877684 /nfs/dbraw/zinc/87/76/84/365877684.db2.gz RPNMYMCMHLAYLZ-ZBFHGGJFSA-N 2 1 278.444 2.305 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2nc(C)cc2C)C[C@H]1C ZINC000336823861 365877694 /nfs/dbraw/zinc/87/76/94/365877694.db2.gz RPNMYMCMHLAYLZ-ZBFHGGJFSA-N 2 1 278.444 2.305 20 0 CEADMP Cc1cccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604389228 347413135 /nfs/dbraw/zinc/41/31/35/347413135.db2.gz IORIFBQNJSGYEY-GOSISDBHSA-N 2 1 287.451 2.207 20 0 CEADMP Cc1cccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604389228 347413138 /nfs/dbraw/zinc/41/31/38/347413138.db2.gz IORIFBQNJSGYEY-GOSISDBHSA-N 2 1 287.451 2.207 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)CCn2c(C)csc2=O)C[C@H]1C ZINC000336823563 365878422 /nfs/dbraw/zinc/87/84/22/365878422.db2.gz QEFQAZGSUYPKBU-OCCSQVGLSA-N 2 1 297.468 2.023 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCn2c(C)csc2=O)C[C@H]1C ZINC000336823563 365878424 /nfs/dbraw/zinc/87/84/24/365878424.db2.gz QEFQAZGSUYPKBU-OCCSQVGLSA-N 2 1 297.468 2.023 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCn2c(C)csc2=O)C[C@H]1C ZINC000336823563 365878427 /nfs/dbraw/zinc/87/84/27/365878427.db2.gz QEFQAZGSUYPKBU-OCCSQVGLSA-N 2 1 297.468 2.023 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2c(C)csc2=O)C[C@H]1C ZINC000336823563 365878429 /nfs/dbraw/zinc/87/84/29/365878429.db2.gz QEFQAZGSUYPKBU-OCCSQVGLSA-N 2 1 297.468 2.023 20 0 CEADMP C[C@H]1C[C@H](Nc2cc(CSCCO)ccn2)CC[N@H+]1C ZINC000611477213 347783454 /nfs/dbraw/zinc/78/34/54/347783454.db2.gz HDTZNWBDLBWMAL-GXTWGEPZSA-N 2 1 295.452 2.202 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H](C)c1nccs1)N1CC[NH+](C)CC1 ZINC000086510231 179304164 /nfs/dbraw/zinc/30/41/64/179304164.db2.gz SJGNLUAXDIXYMS-UONOGXRCSA-N 2 1 296.484 2.066 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@@H]3CCc4[nH]cnc4C3)cn2c1 ZINC000568615674 299149167 /nfs/dbraw/zinc/14/91/67/299149167.db2.gz YOYXKHGUNFWDSC-GFCCVEGCSA-N 2 1 281.363 2.013 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CCC[NH+](CC)CC ZINC000351904370 219243713 /nfs/dbraw/zinc/24/37/13/219243713.db2.gz GOGDSODJOUUXAK-MRXNPFEDSA-N 2 1 297.487 2.441 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339409404 215151770 /nfs/dbraw/zinc/15/17/70/215151770.db2.gz IRZGEHCJMAWOMS-KRWDZBQOSA-N 2 1 274.408 2.225 20 0 CEADMP CC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCOC(C)(C)C1 ZINC000351949501 219260109 /nfs/dbraw/zinc/26/01/09/219260109.db2.gz PYEOZJATYHGMPT-AWEZNQCLSA-N 2 1 265.401 2.471 20 0 CEADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCOC(C)(C)C1 ZINC000351949501 219260111 /nfs/dbraw/zinc/26/01/11/219260111.db2.gz PYEOZJATYHGMPT-AWEZNQCLSA-N 2 1 265.401 2.471 20 0 CEADMP CCc1noc([C@@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000357094734 233005348 /nfs/dbraw/zinc/00/53/48/233005348.db2.gz ZZVCNKRPOFILTD-YPMHNXCESA-N 2 1 278.400 2.015 20 0 CEADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)CC[NH+]1CCCC[C@H]1C ZINC000456376976 539632869 /nfs/dbraw/zinc/63/28/69/539632869.db2.gz LHEOGAVXYDWZHH-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[NH+](CC)CCN1C(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000456376976 539632874 /nfs/dbraw/zinc/63/28/74/539632874.db2.gz LHEOGAVXYDWZHH-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[NH+](CC)CCN1C(=O)CC[N@H+]1CCCC[C@H]1C ZINC000456376976 539632878 /nfs/dbraw/zinc/63/28/78/539632878.db2.gz LHEOGAVXYDWZHH-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1OC1CC1 ZINC000623342426 349993370 /nfs/dbraw/zinc/99/33/70/349993370.db2.gz ZMFQTIYXPVNBKB-UHFFFAOYSA-N 2 1 290.407 2.420 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(C)CCC[C@@H]1C ZINC000617508069 348718006 /nfs/dbraw/zinc/71/80/06/348718006.db2.gz UAOKGPKLALADKG-ZOBUZTSGSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(C)CCC[C@@H]1C ZINC000617508069 348718009 /nfs/dbraw/zinc/71/80/09/348718009.db2.gz UAOKGPKLALADKG-ZOBUZTSGSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCC(C)(C)C ZINC000617505455 348718024 /nfs/dbraw/zinc/71/80/24/348718024.db2.gz CXDFWBFALNUFCH-AWEZNQCLSA-N 2 1 285.476 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCC(C)(C)C ZINC000617505455 348718025 /nfs/dbraw/zinc/71/80/25/348718025.db2.gz CXDFWBFALNUFCH-AWEZNQCLSA-N 2 1 285.476 2.201 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CCC[C@H]1C ZINC000617507269 348718083 /nfs/dbraw/zinc/71/80/83/348718083.db2.gz OUPCWWGQCSORPM-PMPSAXMXSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CCC[C@H]1C ZINC000617507269 348718087 /nfs/dbraw/zinc/71/80/87/348718087.db2.gz OUPCWWGQCSORPM-PMPSAXMXSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@H](C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000617351809 348687404 /nfs/dbraw/zinc/68/74/04/348687404.db2.gz PWNZVHQIXXMJIJ-BARDWOONSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000617351809 348687406 /nfs/dbraw/zinc/68/74/06/348687406.db2.gz PWNZVHQIXXMJIJ-BARDWOONSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000617351809 348687407 /nfs/dbraw/zinc/68/74/07/348687407.db2.gz PWNZVHQIXXMJIJ-BARDWOONSA-N 2 1 295.471 2.237 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C)o1 ZINC000357780191 233142180 /nfs/dbraw/zinc/14/21/80/233142180.db2.gz UUZUEEZEQNMTKW-ZIBATOQPSA-N 2 1 265.401 2.152 20 0 CEADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)C ZINC000618662396 349012086 /nfs/dbraw/zinc/01/20/86/349012086.db2.gz XUHXLGVTFCFUNK-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](CCc2cncs2)CC1 ZINC000411241057 233232043 /nfs/dbraw/zinc/23/20/43/233232043.db2.gz BKWHJQKZBAUTGD-UHFFFAOYSA-N 2 1 290.436 2.374 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623396394 350008761 /nfs/dbraw/zinc/00/87/61/350008761.db2.gz QUDBFVBAIWLYHV-KBPBESRZSA-N 2 1 255.450 2.179 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623396394 350008763 /nfs/dbraw/zinc/00/87/63/350008763.db2.gz QUDBFVBAIWLYHV-KBPBESRZSA-N 2 1 255.450 2.179 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623396394 350008764 /nfs/dbraw/zinc/00/87/64/350008764.db2.gz QUDBFVBAIWLYHV-KBPBESRZSA-N 2 1 255.450 2.179 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623402401 350010217 /nfs/dbraw/zinc/01/02/17/350010217.db2.gz JCXKJWRVIBGTLX-DGCLKSJQSA-N 2 1 264.417 2.252 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623402401 350010223 /nfs/dbraw/zinc/01/02/23/350010223.db2.gz JCXKJWRVIBGTLX-DGCLKSJQSA-N 2 1 264.417 2.252 20 0 CEADMP CN(C)C(=O)C1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCCC1 ZINC000623417575 350014884 /nfs/dbraw/zinc/01/48/84/350014884.db2.gz DRQSMCPHQKYOGM-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCCOC1 ZINC000623487643 350032306 /nfs/dbraw/zinc/03/23/06/350032306.db2.gz LAWMEGXXQUGLAR-MJBXVCDLSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCCCO2)CC1(C)C ZINC000623487622 350032467 /nfs/dbraw/zinc/03/24/67/350032467.db2.gz KMNTVYGEFPRWLD-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCC2)CC1(C)C ZINC000623436814 350019971 /nfs/dbraw/zinc/01/99/71/350019971.db2.gz GGUGJVQZKJHITH-CQSZACIVSA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623472247 350027847 /nfs/dbraw/zinc/02/78/47/350027847.db2.gz JIHAOMYAXOQOFU-KGLIPLIRSA-N 2 1 270.461 2.492 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ncccc2F)CC1(C)C ZINC000623469603 350028386 /nfs/dbraw/zinc/02/83/86/350028386.db2.gz HWARSSXFUDFTKC-LBPRGKRZSA-N 2 1 281.375 2.062 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cnc(C3CC3)nc2)CC1(C)C ZINC000623474049 350028861 /nfs/dbraw/zinc/02/88/61/350028861.db2.gz PWPMWWNMNPVIBB-HNNXBMFYSA-N 2 1 288.439 2.359 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@H](O)C(F)(F)F ZINC000623478477 350029921 /nfs/dbraw/zinc/02/99/21/350029921.db2.gz MPLUREJZIJFACL-DCAQKATOSA-N 2 1 282.350 2.151 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](O)C(F)(F)F ZINC000623478477 350029922 /nfs/dbraw/zinc/02/99/22/350029922.db2.gz MPLUREJZIJFACL-DCAQKATOSA-N 2 1 282.350 2.151 20 0 CEADMP C[N@H+]1CCCC[C@H](CNCc2cnc3ccccn23)C1 ZINC000623656337 350076462 /nfs/dbraw/zinc/07/64/62/350076462.db2.gz SELBGISCXXPSFK-CQSZACIVSA-N 2 1 272.396 2.156 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnc3ccccn23)C1 ZINC000623656337 350076465 /nfs/dbraw/zinc/07/64/65/350076465.db2.gz SELBGISCXXPSFK-CQSZACIVSA-N 2 1 272.396 2.156 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnc3ccccn23)C1 ZINC000623656337 350076469 /nfs/dbraw/zinc/07/64/69/350076469.db2.gz SELBGISCXXPSFK-CQSZACIVSA-N 2 1 272.396 2.156 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC1(C)C ZINC000623493554 350033850 /nfs/dbraw/zinc/03/38/50/350033850.db2.gz JFRPEPGAZOBZGV-ILXRZTDVSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)CC1(C)C ZINC000623493555 350033918 /nfs/dbraw/zinc/03/39/18/350033918.db2.gz JFRPEPGAZOBZGV-KKUMJFAQSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCCC2(C)C)CC1(C)C ZINC000623532977 350043253 /nfs/dbraw/zinc/04/32/53/350043253.db2.gz ODRCSOMUHKWXLU-BBRMVZONSA-N 2 1 268.445 2.390 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CC1(C)C ZINC000623539138 350044306 /nfs/dbraw/zinc/04/43/06/350044306.db2.gz BREPGGQMJMBJTD-ARFHVFGLSA-N 2 1 280.456 2.246 20 0 CEADMP CO[C@@H]([C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623541519 350045235 /nfs/dbraw/zinc/04/52/35/350045235.db2.gz NNTUEKMNMAZGOL-BNOWGMLFSA-N 2 1 254.418 2.262 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000090585484 180009411 /nfs/dbraw/zinc/00/94/11/180009411.db2.gz GFPXHVWURSTOSY-LSDHHAIUSA-N 2 1 278.444 2.439 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000090585484 180009412 /nfs/dbraw/zinc/00/94/12/180009412.db2.gz GFPXHVWURSTOSY-LSDHHAIUSA-N 2 1 278.444 2.439 20 0 CEADMP c1ccc2c(c1)CO[C@H](C[NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000624056720 350181366 /nfs/dbraw/zinc/18/13/66/350181366.db2.gz LDOWDWHSXROPSQ-SFHVURJKSA-N 2 1 286.419 2.344 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000271306169 191062959 /nfs/dbraw/zinc/06/29/59/191062959.db2.gz HQTSCJPQXFSBAU-NSHDSACASA-N 2 1 262.332 2.467 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624123980 350201361 /nfs/dbraw/zinc/20/13/61/350201361.db2.gz VEKJPCWQASVDBR-ZFWWWQNUSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123980 350201363 /nfs/dbraw/zinc/20/13/63/350201363.db2.gz VEKJPCWQASVDBR-ZFWWWQNUSA-N 2 1 276.428 2.119 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000624123307 350201422 /nfs/dbraw/zinc/20/14/22/350201422.db2.gz JKUSYNOYWZKOOV-GFCCVEGCSA-N 2 1 260.372 2.396 20 0 CEADMP C([NH2+]CC1CCCCCC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666364 180222328 /nfs/dbraw/zinc/22/23/28/180222328.db2.gz YICLFRDTLRWMTK-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP C([NH2+]CC1CCCCCC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666364 180222329 /nfs/dbraw/zinc/22/23/29/180222329.db2.gz YICLFRDTLRWMTK-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP COCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000105480411 186058513 /nfs/dbraw/zinc/05/85/13/186058513.db2.gz VQVYSHJBJPKUFO-PBHICJAKSA-N 2 1 292.423 2.142 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2)CC1 ZINC000106388523 186113342 /nfs/dbraw/zinc/11/33/42/186113342.db2.gz AOQNYKMQVPZIHD-UHFFFAOYSA-N 2 1 289.423 2.431 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2)CC1 ZINC000106388523 186113344 /nfs/dbraw/zinc/11/33/44/186113344.db2.gz AOQNYKMQVPZIHD-UHFFFAOYSA-N 2 1 289.423 2.431 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868721 186145046 /nfs/dbraw/zinc/14/50/46/186145046.db2.gz ASJHOEJQBVLEJE-LSDHHAIUSA-N 2 1 260.381 2.412 20 0 CEADMP CCO[C@@H](C[N@@H+](C)CCC[NH+]1CCCC1)C1CC1 ZINC000625388420 350487000 /nfs/dbraw/zinc/48/70/00/350487000.db2.gz PCRJOSFXBRVXSY-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)CCC1(C)C ZINC000625722730 350554624 /nfs/dbraw/zinc/55/46/24/350554624.db2.gz BFOPEDAJSJNWIO-CYBMUJFWSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)CCC1(C)C ZINC000625722730 350554629 /nfs/dbraw/zinc/55/46/29/350554629.db2.gz BFOPEDAJSJNWIO-CYBMUJFWSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)(C)CCC1(C)C ZINC000625722730 350554631 /nfs/dbraw/zinc/55/46/31/350554631.db2.gz BFOPEDAJSJNWIO-CYBMUJFWSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC(C)(C)CCC1(C)C ZINC000625722730 350554636 /nfs/dbraw/zinc/55/46/36/350554636.db2.gz BFOPEDAJSJNWIO-CYBMUJFWSA-N 2 1 256.434 2.200 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000625832586 350581502 /nfs/dbraw/zinc/58/15/02/350581502.db2.gz VQYXJKQXXUHFBY-GOEBONIOSA-N 2 1 268.445 2.392 20 0 CEADMP CCOCCC[N@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337044096 365998383 /nfs/dbraw/zinc/99/83/83/365998383.db2.gz DLQMWFREPQWGKQ-HZPDHXFCSA-N 2 1 262.397 2.087 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000130894657 366001615 /nfs/dbraw/zinc/00/16/15/366001615.db2.gz CLDYRHCQKVBEPV-XHSDSOJGSA-N 2 1 288.391 2.032 20 0 CEADMP CCCCOCC[N@H+]1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337078316 366010375 /nfs/dbraw/zinc/01/03/75/366010375.db2.gz SOHIANLDHSDXSX-DLBZAZTESA-N 2 1 276.424 2.477 20 0 CEADMP CN(CC[N@@H+](C)C[C@]1(C)CCCS1)C1CC[NH+](C)CC1 ZINC000628277701 351037550 /nfs/dbraw/zinc/03/75/50/351037550.db2.gz FFSSXANJYVAFHQ-INIZCTEOSA-N 2 1 299.528 2.230 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc4n[nH]cc43)C2)C1 ZINC000628296144 351046830 /nfs/dbraw/zinc/04/68/30/351046830.db2.gz XMWRXONCOMUHLG-KRWDZBQOSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc4n[nH]cc43)C2)C1 ZINC000628296144 351046834 /nfs/dbraw/zinc/04/68/34/351046834.db2.gz XMWRXONCOMUHLG-KRWDZBQOSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc4n[nH]cc43)C2)C1 ZINC000628296144 351046837 /nfs/dbraw/zinc/04/68/37/351046837.db2.gz XMWRXONCOMUHLG-KRWDZBQOSA-N 2 1 284.407 2.481 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339774145 215335259 /nfs/dbraw/zinc/33/52/59/215335259.db2.gz DQUROEPFKSGGOP-MRXNPFEDSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339774145 215335263 /nfs/dbraw/zinc/33/52/63/215335263.db2.gz DQUROEPFKSGGOP-MRXNPFEDSA-N 2 1 277.412 2.473 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000628425309 351097955 /nfs/dbraw/zinc/09/79/55/351097955.db2.gz HCKGJMZTTAMTGO-AWEZNQCLSA-N 2 1 273.424 2.392 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000628425309 351097959 /nfs/dbraw/zinc/09/79/59/351097959.db2.gz HCKGJMZTTAMTGO-AWEZNQCLSA-N 2 1 273.424 2.392 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C12CCCCC2 ZINC000629543519 351405207 /nfs/dbraw/zinc/40/52/07/351405207.db2.gz AWAVGYIRRLBXAP-XGUBFFRZSA-N 2 1 266.429 2.454 20 0 CEADMP [NH3+]C1(C[NH2+][C@H](c2cccnc2)C2CCC2)CCOCC1 ZINC000629522329 351388681 /nfs/dbraw/zinc/38/86/81/351388681.db2.gz ZWEDADJSOMKFCN-HNNXBMFYSA-N 2 1 275.396 2.020 20 0 CEADMP CCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629522383 351389208 /nfs/dbraw/zinc/38/92/08/351389208.db2.gz YUGXMFCRNICPSY-CYBMUJFWSA-N 2 1 278.396 2.244 20 0 CEADMP COc1ccncc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000629532357 351395985 /nfs/dbraw/zinc/39/59/85/351395985.db2.gz WRPJGOSMGSKQGU-CABCVRRESA-N 2 1 289.423 2.302 20 0 CEADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629394662 351348510 /nfs/dbraw/zinc/34/85/10/351348510.db2.gz KJFJLOZCWVOWPT-NFAWXSAZSA-N 2 1 290.407 2.467 20 0 CEADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000629647872 351446233 /nfs/dbraw/zinc/44/62/33/351446233.db2.gz COSXEZFXPHXYRF-HUUCEWRRSA-N 2 1 258.365 2.322 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000629653296 351450582 /nfs/dbraw/zinc/45/05/82/351450582.db2.gz KGAGWZCUWFNHHR-UHFFFAOYSA-N 2 1 280.343 2.240 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc2nc(C)ccc2c1 ZINC000629653804 351450807 /nfs/dbraw/zinc/45/08/07/351450807.db2.gz NWLHPWCGNGYZBQ-UHFFFAOYSA-N 2 1 287.407 2.211 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000629654374 351452021 /nfs/dbraw/zinc/45/20/21/351452021.db2.gz PYJOZXJQHBGOGG-UHFFFAOYSA-N 2 1 299.418 2.416 20 0 CEADMP CC(C)c1ccc(CC[N@@H+](C)CCOCC[NH3+])cc1 ZINC000629666577 351457826 /nfs/dbraw/zinc/45/78/26/351457826.db2.gz TUGMBPQARBRJJD-UHFFFAOYSA-N 2 1 264.413 2.260 20 0 CEADMP CC(C)COCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560992 351414932 /nfs/dbraw/zinc/41/49/32/351414932.db2.gz GJWZUMSSTNFNFX-NEPJUHHUSA-N 2 1 282.350 2.118 20 0 CEADMP CC(C)COCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560992 351414933 /nfs/dbraw/zinc/41/49/33/351414933.db2.gz GJWZUMSSTNFNFX-NEPJUHHUSA-N 2 1 282.350 2.118 20 0 CEADMP CC(C)OCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565375 351416912 /nfs/dbraw/zinc/41/69/12/351416912.db2.gz WKZVBTHFMYDMHH-NEPJUHHUSA-N 2 1 282.350 2.261 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)CCc1nsc2ccccc12 ZINC000629572121 351418658 /nfs/dbraw/zinc/41/86/58/351418658.db2.gz NKKCDCNKYPQKEQ-UHFFFAOYSA-N 2 1 293.436 2.007 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cnc2ccc(C)cc2c1 ZINC000629572389 351419587 /nfs/dbraw/zinc/41/95/87/351419587.db2.gz ROOUNUDJFZFBAJ-UHFFFAOYSA-N 2 1 287.407 2.211 20 0 CEADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000629579326 351420601 /nfs/dbraw/zinc/42/06/01/351420601.db2.gz RUFUOUGMLUBMMJ-LLVKDONJSA-N 2 1 288.338 2.256 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1C ZINC000070170738 363043190 /nfs/dbraw/zinc/04/31/90/363043190.db2.gz PEXQPIXAOIJYBR-OAHLLOKOSA-N 2 1 289.423 2.303 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000070170790 363043393 /nfs/dbraw/zinc/04/33/93/363043393.db2.gz FXWDFMLKDWHBPA-OAHLLOKOSA-N 2 1 284.407 2.433 20 0 CEADMP CC1CCC(N(C)C(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000070170930 363043915 /nfs/dbraw/zinc/04/39/15/363043915.db2.gz SPNQMTVWKOUNBR-HWOWSKLDSA-N 2 1 295.471 2.084 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc(OC)c1 ZINC000070171945 363045184 /nfs/dbraw/zinc/04/51/84/363045184.db2.gz IBAFVLQHKQBRFE-JSGCOSHPSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271434409 191136074 /nfs/dbraw/zinc/13/60/74/191136074.db2.gz DLUXAMQMPYLYHX-LZWOXQAQSA-N 2 1 262.397 2.010 20 0 CEADMP C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271434409 191136077 /nfs/dbraw/zinc/13/60/77/191136077.db2.gz DLUXAMQMPYLYHX-LZWOXQAQSA-N 2 1 262.397 2.010 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC2([NH+](C)C)CCCCC2)CC[N@H+]1C ZINC000630445995 351743683 /nfs/dbraw/zinc/74/36/83/351743683.db2.gz NGLIDWIVEONRRB-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000131552565 366066179 /nfs/dbraw/zinc/06/61/79/366066179.db2.gz WMNQNLXLTPGMIZ-ZFWWWQNUSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@H](CN[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000291710638 198066823 /nfs/dbraw/zinc/06/68/23/198066823.db2.gz LFQUPZXMCLOSAV-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](C[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1)C[NH+](C)C ZINC000291710638 198066824 /nfs/dbraw/zinc/06/68/24/198066824.db2.gz LFQUPZXMCLOSAV-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C[NH+](C)C ZINC000291737272 198075015 /nfs/dbraw/zinc/07/50/15/198075015.db2.gz OMOFYUPVKCZRJR-LLVKDONJSA-N 2 1 298.814 2.399 20 0 CEADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000291777074 198088604 /nfs/dbraw/zinc/08/86/04/198088604.db2.gz UMBLPJZWWQTQGH-UAGQMJEPSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000291777074 198088606 /nfs/dbraw/zinc/08/86/06/198088606.db2.gz UMBLPJZWWQTQGH-UAGQMJEPSA-N 2 1 276.424 2.400 20 0 CEADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1OCCO1 ZINC000124134103 187123133 /nfs/dbraw/zinc/12/31/33/187123133.db2.gz PSTJEVWMHHVGGU-INIZCTEOSA-N 2 1 296.455 2.337 20 0 CEADMP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cnccn1 ZINC000123645946 187102467 /nfs/dbraw/zinc/10/24/67/187102467.db2.gz VIVNIOQEBFKZBB-ZDUSSCGKSA-N 2 1 270.380 2.389 20 0 CEADMP C[N@H+]1CCC[C@H](CNCc2ccncc2Br)C1 ZINC000631068269 351947154 /nfs/dbraw/zinc/94/71/54/351947154.db2.gz GXOCPYWWVDELJJ-LLVKDONJSA-N 2 1 298.228 2.276 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn[nH]c1 ZINC000631195306 352010690 /nfs/dbraw/zinc/01/06/90/352010690.db2.gz VTRALRXWUGSQNR-PBHICJAKSA-N 2 1 284.407 2.267 20 0 CEADMP Cc1cc(C)c(/C=C\C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC000631111988 351969125 /nfs/dbraw/zinc/96/91/25/351969125.db2.gz NLGBKUAKYWBYGL-OOFWQKGWSA-N 2 1 288.435 2.281 20 0 CEADMP Cc1cc(C)c(/C=C\C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000631111988 351969128 /nfs/dbraw/zinc/96/91/28/351969128.db2.gz NLGBKUAKYWBYGL-OOFWQKGWSA-N 2 1 288.435 2.281 20 0 CEADMP Cc1cc(C)c(/C=C/C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(C)c1 ZINC000631112940 351970063 /nfs/dbraw/zinc/97/00/63/351970063.db2.gz SEBMQPOBOWHJGH-QWNKOJSDSA-N 2 1 288.435 2.281 20 0 CEADMP Cc1cc(C)c(/C=C/C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(C)c1 ZINC000631112940 351970068 /nfs/dbraw/zinc/97/00/68/351970068.db2.gz SEBMQPOBOWHJGH-QWNKOJSDSA-N 2 1 288.435 2.281 20 0 CEADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1nccn1C ZINC000271649612 191259436 /nfs/dbraw/zinc/25/94/36/191259436.db2.gz AVWIMBFJJKFORR-ZDUSSCGKSA-N 2 1 261.373 2.056 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000669698359 539948845 /nfs/dbraw/zinc/94/88/45/539948845.db2.gz DSHJXJXMJXELLL-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000131763555 366085728 /nfs/dbraw/zinc/08/57/28/366085728.db2.gz GBGSMKCVGPAMIL-KBPBESRZSA-N 2 1 270.380 2.041 20 0 CEADMP c1ccc2c(c1)OC[C@@H]2C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158037318 188354920 /nfs/dbraw/zinc/35/49/20/188354920.db2.gz ACGZMHOXLIMWCC-RRFJBIMHSA-N 2 1 272.392 2.379 20 0 CEADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000494464727 540007948 /nfs/dbraw/zinc/00/79/48/540007948.db2.gz SCMFAVILFIBSEB-LXTVHRRPSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000495044442 291012696 /nfs/dbraw/zinc/01/26/96/291012696.db2.gz JTPRSVNVRVCWEZ-FZCLSBEQSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000495044442 291012698 /nfs/dbraw/zinc/01/26/98/291012698.db2.gz JTPRSVNVRVCWEZ-FZCLSBEQSA-N 2 1 288.435 2.258 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCC12CCC2 ZINC000337510139 366157729 /nfs/dbraw/zinc/15/77/29/366157729.db2.gz IJOYLXMLEYROJC-GJZGRUSLSA-N 2 1 266.429 2.146 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2OC(F)F)CC1 ZINC000337559722 366162092 /nfs/dbraw/zinc/16/20/92/366162092.db2.gz ULYCQICTCTZJHW-NEPJUHHUSA-N 2 1 262.344 2.221 20 0 CEADMP CCCCCC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000132980752 366185940 /nfs/dbraw/zinc/18/59/40/366185940.db2.gz MWELBDCNTADLTI-MRXNPFEDSA-N 2 1 267.461 2.279 20 0 CEADMP CCc1ncc(C[N@@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000352534301 219496983 /nfs/dbraw/zinc/49/69/83/219496983.db2.gz FGCONBSYNGWDFC-NSHDSACASA-N 2 1 253.415 2.409 20 0 CEADMP CCc1ncc(C[N@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000352534301 219496985 /nfs/dbraw/zinc/49/69/85/219496985.db2.gz FGCONBSYNGWDFC-NSHDSACASA-N 2 1 253.415 2.409 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCC1([NH3+])CCCCC1 ZINC000569842948 299222186 /nfs/dbraw/zinc/22/21/86/299222186.db2.gz FEQCCNUHGNVVRP-CQSZACIVSA-N 2 1 281.444 2.029 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000359546956 283056640 /nfs/dbraw/zinc/05/66/40/283056640.db2.gz NAIDKGALMMKPMD-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000347729927 283058640 /nfs/dbraw/zinc/05/86/40/283058640.db2.gz XUFUTMNHMYWRAU-OAGGEKHMSA-N 2 1 295.471 2.050 20 0 CEADMP c1ccc(C[NH+]2CCC(N[C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000133543597 366235771 /nfs/dbraw/zinc/23/57/71/366235771.db2.gz VXCNHMUPIWNNQZ-QGZVFWFLSA-N 2 1 287.451 2.383 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCC1CCOCC1 ZINC000682070022 540066256 /nfs/dbraw/zinc/06/62/56/540066256.db2.gz BVHSPWQRLLJXAC-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCC1CCOCC1 ZINC000682070022 540066258 /nfs/dbraw/zinc/06/62/58/540066258.db2.gz BVHSPWQRLLJXAC-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCC1CCOCC1 ZINC000682070022 540066261 /nfs/dbraw/zinc/06/62/61/540066261.db2.gz BVHSPWQRLLJXAC-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCC1CCOCC1 ZINC000682070022 540066264 /nfs/dbraw/zinc/06/62/64/540066264.db2.gz BVHSPWQRLLJXAC-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)c1noc([C@H](C)[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000572295054 314129193 /nfs/dbraw/zinc/12/91/93/314129193.db2.gz RSKCGQQNSRSNML-NSHDSACASA-N 2 1 266.389 2.315 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000309756425 540160753 /nfs/dbraw/zinc/16/07/53/540160753.db2.gz XDKPNLFQXFLBOG-GDBMZVCRSA-N 2 1 262.397 2.133 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309813628 540161016 /nfs/dbraw/zinc/16/10/16/540161016.db2.gz XGEMFXOCRKUZJP-IHRRRGAJSA-N 2 1 299.459 2.220 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCC[C@@H]2O)[C@H]2CCC[C@@H]21 ZINC000353519582 283138408 /nfs/dbraw/zinc/13/84/08/283138408.db2.gz MTXBYYMOACLHRN-XAJHFOFHSA-N 2 1 280.456 2.390 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CSC2(C)C)[C@H]2CCC[C@@H]21 ZINC000353604165 283141650 /nfs/dbraw/zinc/14/16/50/283141650.db2.gz IQULRCWACODOEV-MROQNXINSA-N 2 1 254.443 2.343 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000273650510 192247232 /nfs/dbraw/zinc/24/72/32/192247232.db2.gz WNAQIUNOCSUTTB-QGZVFWFLSA-N 2 1 299.418 2.231 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000496003695 291099385 /nfs/dbraw/zinc/09/93/85/291099385.db2.gz CIBYGMJMUFRWKI-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000496003695 291099388 /nfs/dbraw/zinc/09/93/88/291099388.db2.gz CIBYGMJMUFRWKI-ZIAGYGMSSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC[NH3+])CC1 ZINC000414708021 540245275 /nfs/dbraw/zinc/24/52/75/540245275.db2.gz OLTFSMOJVABGAP-OAHLLOKOSA-N 3 1 267.461 2.312 20 0 CEADMP c1ccc(-c2cccc(CNC[C@H]3C[NH2+]CCO3)c2)cc1 ZINC000415091129 540250210 /nfs/dbraw/zinc/25/02/10/540250210.db2.gz BRFVARXBKKTCTO-GOSISDBHSA-N 2 1 282.387 2.432 20 0 CEADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338288655 366275496 /nfs/dbraw/zinc/27/54/96/366275496.db2.gz MERRHKVSJDXUOZ-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@H]1CCCC[C@@H]1[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338344933 366306967 /nfs/dbraw/zinc/30/69/67/366306967.db2.gz LSMMVKYKOQVIRP-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338344933 366306970 /nfs/dbraw/zinc/30/69/70/366306970.db2.gz LSMMVKYKOQVIRP-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]C2CCCCCC2)CC1 ZINC000578378836 314475149 /nfs/dbraw/zinc/47/51/49/314475149.db2.gz QMUNCHZGHDPGBH-UHFFFAOYSA-N 2 1 254.418 2.146 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000134409147 366317760 /nfs/dbraw/zinc/31/77/60/366317760.db2.gz BUGVVSATHAWUFA-PBHICJAKSA-N 2 1 284.407 2.302 20 0 CEADMP C[C@H]1CCC[N@@H+]1C1CC[NH+](CCC(C)(C)O)CC1 ZINC000134684531 366351546 /nfs/dbraw/zinc/35/15/46/366351546.db2.gz ATEADDPTGSOQRB-ZDUSSCGKSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H]1CCC[N@H+]1C1CC[NH+](CCC(C)(C)O)CC1 ZINC000134684531 366351552 /nfs/dbraw/zinc/35/15/52/366351552.db2.gz ATEADDPTGSOQRB-ZDUSSCGKSA-N 2 1 254.418 2.096 20 0 CEADMP CCc1ccc(CC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000575803444 366360129 /nfs/dbraw/zinc/36/01/29/366360129.db2.gz NKAGHWNXMDFLOD-DLBZAZTESA-N 2 1 258.409 2.333 20 0 CEADMP [NH3+]Cc1ccc(-c2noc([C@H]3CCc4[nH+]ccn4C3)n2)cc1 ZINC000575922327 366374285 /nfs/dbraw/zinc/37/42/85/366374285.db2.gz SGGWQNHQZKKXAO-ZDUSSCGKSA-N 2 1 295.346 2.122 20 0 CEADMP CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000376957469 283223503 /nfs/dbraw/zinc/22/35/03/283223503.db2.gz KHRBVVAYHOUHTQ-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C(C)(C)C ZINC000670264068 540258974 /nfs/dbraw/zinc/25/89/74/540258974.db2.gz RAOXFYVJIWIZGA-JKSUJKDBSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C(C)(C)C ZINC000670264066 540259204 /nfs/dbraw/zinc/25/92/04/540259204.db2.gz RAOXFYVJIWIZGA-HOTGVXAUSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@H](C[NH+]1CCC([N@@H+](C)CCCO)CC1)C(C)(C)C ZINC000670264539 540259689 /nfs/dbraw/zinc/25/96/89/540259689.db2.gz SVQHRJZIAXUSTR-CQSZACIVSA-N 2 1 270.461 2.447 20 0 CEADMP C[C@@H](CN[C@@H](C)c1ncc[nH]1)[N@H+]1CCC[C@@H](C)C1 ZINC000353460833 540315262 /nfs/dbraw/zinc/31/52/62/540315262.db2.gz LPVYNGRMZOUPOQ-AGIUHOORSA-N 2 1 250.390 2.181 20 0 CEADMP C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309984180 540334612 /nfs/dbraw/zinc/33/46/12/540334612.db2.gz WOUPNQMBFBZWSI-WBVHZDCISA-N 2 1 276.424 2.259 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414847559 299272161 /nfs/dbraw/zinc/27/21/61/299272161.db2.gz FUIDSRNZOZVCPB-UONOGXRCSA-N 3 1 267.461 2.227 20 0 CEADMP CCCC[C@@H](CC)CC[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358151484 540371445 /nfs/dbraw/zinc/37/14/45/540371445.db2.gz BBJBYRJIGDJXQR-HUUCEWRRSA-N 2 1 256.434 2.249 20 0 CEADMP CCCC[C@@H](CC)CC[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358151484 540371448 /nfs/dbraw/zinc/37/14/48/540371448.db2.gz BBJBYRJIGDJXQR-HUUCEWRRSA-N 2 1 256.434 2.249 20 0 CEADMP C[C@H]1C[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000335066460 291145773 /nfs/dbraw/zinc/14/57/73/291145773.db2.gz BCJOQOLRDNKYEZ-NGHVJFNESA-N 2 1 291.483 2.212 20 0 CEADMP CCn1nccc1CC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000338545673 366405773 /nfs/dbraw/zinc/40/57/73/366405773.db2.gz IMFJDGZPJMHYHA-GOEBONIOSA-N 2 1 278.444 2.250 20 0 CEADMP CCn1nccc1CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000338545673 366405778 /nfs/dbraw/zinc/40/57/78/366405778.db2.gz IMFJDGZPJMHYHA-GOEBONIOSA-N 2 1 278.444 2.250 20 0 CEADMP CCn1nccc1CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000338545673 366405781 /nfs/dbraw/zinc/40/57/81/366405781.db2.gz IMFJDGZPJMHYHA-GOEBONIOSA-N 2 1 278.444 2.250 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000338547528 366405993 /nfs/dbraw/zinc/40/59/93/366405993.db2.gz SMKUPMWMDOHCAG-OAHLLOKOSA-N 2 1 296.455 2.239 20 0 CEADMP COC(=O)C(C)(C)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000338547528 366405995 /nfs/dbraw/zinc/40/59/95/366405995.db2.gz SMKUPMWMDOHCAG-OAHLLOKOSA-N 2 1 296.455 2.239 20 0 CEADMP COC(=O)C(C)(C)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000338547528 366405998 /nfs/dbraw/zinc/40/59/98/366405998.db2.gz SMKUPMWMDOHCAG-OAHLLOKOSA-N 2 1 296.455 2.239 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC12CCOCC2 ZINC000577905386 366415497 /nfs/dbraw/zinc/41/54/97/366415497.db2.gz WOUOZUMLEWKHQA-UONOGXRCSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC12CCOCC2 ZINC000577905386 366415499 /nfs/dbraw/zinc/41/54/99/366415499.db2.gz WOUOZUMLEWKHQA-UONOGXRCSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414933998 236562180 /nfs/dbraw/zinc/56/21/80/236562180.db2.gz ACTVHCWMRZDJAL-SUMWQHHRSA-N 2 1 284.407 2.268 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000578024465 366433838 /nfs/dbraw/zinc/43/38/38/366433838.db2.gz YPPXOHOUVDMOTJ-CBBWQLFWSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc2ccccc2s1 ZINC000135424440 366437604 /nfs/dbraw/zinc/43/76/04/366437604.db2.gz AJCKMFKLWVRUCU-QWRGUYRKSA-N 2 1 261.394 2.465 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc2ccccc2s1 ZINC000135424440 366437606 /nfs/dbraw/zinc/43/76/06/366437606.db2.gz AJCKMFKLWVRUCU-QWRGUYRKSA-N 2 1 261.394 2.465 20 0 CEADMP CC[N@@H+](CCCO)Cc1ccc(-n2ccnc2)cc1 ZINC000135509888 366448825 /nfs/dbraw/zinc/44/88/25/366448825.db2.gz XEMPPKNMFPSSQZ-UHFFFAOYSA-N 2 1 259.353 2.077 20 0 CEADMP CC[C@H](c1ccccc1OC)N(C)C[C@@H](O)C[N@@H+](C)CC ZINC000578245132 366467561 /nfs/dbraw/zinc/46/75/61/366467561.db2.gz DHXLGRWJRWCXMD-GOEBONIOSA-N 2 1 294.439 2.391 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccncc2)C[C@@H]1n1ccnc1 ZINC000136094967 366493339 /nfs/dbraw/zinc/49/33/39/366493339.db2.gz KGWQJUYUIFCMFE-HIFRSBDPSA-N 2 1 256.353 2.361 20 0 CEADMP CC[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000311179955 540455238 /nfs/dbraw/zinc/45/52/38/540455238.db2.gz YBCTWYSYHPFACE-ZNMIVQPWSA-N 2 1 256.434 2.198 20 0 CEADMP CN(C)c1nc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cs1 ZINC000671749673 540499446 /nfs/dbraw/zinc/49/94/46/540499446.db2.gz GJOIIEDHAGVEQJ-MCIONIFRSA-N 2 1 294.468 2.172 20 0 CEADMP CN(C)c1nc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cs1 ZINC000671749673 540499449 /nfs/dbraw/zinc/49/94/49/540499449.db2.gz GJOIIEDHAGVEQJ-MCIONIFRSA-N 2 1 294.468 2.172 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667873884 540527331 /nfs/dbraw/zinc/52/73/31/540527331.db2.gz QHVIAMXQLAMVOS-GJZGRUSLSA-N 2 1 263.385 2.129 20 0 CEADMP C[C@@H]1CSCC[N@@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000668058269 540561646 /nfs/dbraw/zinc/56/16/46/540561646.db2.gz LNYOMHWCHUXKEV-ZDUSSCGKSA-N 2 1 288.420 2.452 20 0 CEADMP C[C@@H]1CSCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668058269 540561649 /nfs/dbraw/zinc/56/16/49/540561649.db2.gz LNYOMHWCHUXKEV-ZDUSSCGKSA-N 2 1 288.420 2.452 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1scnc1C1CC1 ZINC000486954020 540610747 /nfs/dbraw/zinc/61/07/47/540610747.db2.gz HMXZURQMDLZPQX-UHFFFAOYSA-N 2 1 262.382 2.315 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000486992192 540614105 /nfs/dbraw/zinc/61/41/05/540614105.db2.gz YWFWBXVLZMAHMN-NSHDSACASA-N 2 1 265.426 2.452 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000486992192 540614110 /nfs/dbraw/zinc/61/41/10/540614110.db2.gz YWFWBXVLZMAHMN-NSHDSACASA-N 2 1 265.426 2.452 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000486992191 540614340 /nfs/dbraw/zinc/61/43/40/540614340.db2.gz YWFWBXVLZMAHMN-LLVKDONJSA-N 2 1 265.426 2.452 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000486992191 540614343 /nfs/dbraw/zinc/61/43/43/540614343.db2.gz YWFWBXVLZMAHMN-LLVKDONJSA-N 2 1 265.426 2.452 20 0 CEADMP COC1(CC[N@H+](C)CCCn2cc[nH+]c2C)CCC1 ZINC000339045604 366628809 /nfs/dbraw/zinc/62/88/09/366628809.db2.gz XDIZLQGZGLHDFA-UHFFFAOYSA-N 2 1 265.401 2.473 20 0 CEADMP COC1(CC[N@@H+](C)CCCn2cc[nH+]c2C)CCC1 ZINC000339045604 366628814 /nfs/dbraw/zinc/62/88/14/366628814.db2.gz XDIZLQGZGLHDFA-UHFFFAOYSA-N 2 1 265.401 2.473 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1C=CCCCCC1 ZINC000339056830 366633433 /nfs/dbraw/zinc/63/34/33/366633433.db2.gz WWAQSZRZGCOUOW-KRWDZBQOSA-N 2 1 279.472 2.445 20 0 CEADMP OCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000339073640 366640487 /nfs/dbraw/zinc/64/04/87/366640487.db2.gz CGFWEAYZMPSNRT-GJZGRUSLSA-N 2 1 278.371 2.034 20 0 CEADMP OCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000339073640 366640492 /nfs/dbraw/zinc/64/04/92/366640492.db2.gz CGFWEAYZMPSNRT-GJZGRUSLSA-N 2 1 278.371 2.034 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000151452278 366645011 /nfs/dbraw/zinc/64/50/11/366645011.db2.gz IVWJMVGRNLFUKC-FMKPAKJESA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000151452278 366645015 /nfs/dbraw/zinc/64/50/15/366645015.db2.gz IVWJMVGRNLFUKC-FMKPAKJESA-N 2 1 299.422 2.086 20 0 CEADMP COc1ccc2[nH]cc(CC[NH2+]C3CC[NH+](C)CC3)c2c1 ZINC000674049618 540719628 /nfs/dbraw/zinc/71/96/28/540719628.db2.gz TVRWDKXQMZORLO-UHFFFAOYSA-N 2 1 287.407 2.403 20 0 CEADMP C[NH+]1CCN(C(=O)C[NH+](CC(C)(C)C)CC(C)(C)C)CC1 ZINC000342155210 216241799 /nfs/dbraw/zinc/24/17/99/216241799.db2.gz OOVQANJWOHGESR-UHFFFAOYSA-N 2 1 297.487 2.155 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC000676536393 540932305 /nfs/dbraw/zinc/93/23/05/540932305.db2.gz JCYUXJBXWNJFPB-INIZCTEOSA-N 2 1 297.487 2.203 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC000676536394 540932543 /nfs/dbraw/zinc/93/25/43/540932543.db2.gz JCYUXJBXWNJFPB-MRXNPFEDSA-N 2 1 297.487 2.203 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000677240004 540995700 /nfs/dbraw/zinc/99/57/00/540995700.db2.gz CUBAOEVZDBQWHK-CVEARBPZSA-N 2 1 259.397 2.149 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnc4ccccn34)C2)CC1 ZINC000677474924 541017660 /nfs/dbraw/zinc/01/76/60/541017660.db2.gz DHHDKVUEMTVKEC-MRXNPFEDSA-N 2 1 298.434 2.498 20 0 CEADMP COC[C@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000162155456 541040825 /nfs/dbraw/zinc/04/08/25/541040825.db2.gz UHDYCKVABIVFEX-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP COC[C@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000162155456 541040827 /nfs/dbraw/zinc/04/08/27/541040827.db2.gz UHDYCKVABIVFEX-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP Cn1cncc1CCC[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000579731213 366695018 /nfs/dbraw/zinc/69/50/18/366695018.db2.gz ZYKMKHWEDDVWMT-HZPDHXFCSA-N 2 1 289.423 2.386 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000011888605 361367157 /nfs/dbraw/zinc/36/71/57/361367157.db2.gz HDYBJHSXOVZIAK-GFCCVEGCSA-N 2 1 268.788 2.390 20 0 CEADMP COc1ccccc1CCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000011888539 361367376 /nfs/dbraw/zinc/36/73/76/361367376.db2.gz IWBCTQHTHNGOHO-AWEZNQCLSA-N 2 1 262.397 2.299 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000677986332 541065463 /nfs/dbraw/zinc/06/54/63/541065463.db2.gz MXAKCNKWTWVSOV-KRWDZBQOSA-N 2 1 295.390 2.419 20 0 CEADMP Cc1nc([C@H]2CCCCN2CCn2cc[nH+]c2C)no1 ZINC000677981010 541064480 /nfs/dbraw/zinc/06/44/80/541064480.db2.gz QQRPXHDCRUPOPB-CYBMUJFWSA-N 2 1 275.356 2.110 20 0 CEADMP Cc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(C)s1 ZINC000182969131 189341262 /nfs/dbraw/zinc/34/12/62/189341262.db2.gz IFTRSJBUCZRBJJ-UHFFFAOYSA-N 2 1 295.496 2.434 20 0 CEADMP Cc1cc(N[C@H](C)C(C)(C)C[NH+](C)C)nc(C)[nH+]1 ZINC000301623046 201102409 /nfs/dbraw/zinc/10/24/09/201102409.db2.gz FGCJJBKGZVCLNS-LLVKDONJSA-N 2 1 250.390 2.482 20 0 CEADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000571797145 299328725 /nfs/dbraw/zinc/32/87/25/299328725.db2.gz IWBPDWPVVKAVAU-GJZGRUSLSA-N 2 1 283.460 2.083 20 0 CEADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[NH+](C)C)c1 ZINC000020091809 361578576 /nfs/dbraw/zinc/57/85/76/361578576.db2.gz DSFPUZSCYCEXGC-LBPRGKRZSA-N 2 1 263.385 2.247 20 0 CEADMP Cc1ccc2[nH+]ccc(N(C)CC[NH+]3CCOCC3)c2c1 ZINC000302170448 201379210 /nfs/dbraw/zinc/37/92/10/201379210.db2.gz UGNCSPOLDUSTDD-UHFFFAOYSA-N 2 1 285.391 2.312 20 0 CEADMP Cc1cccnc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093453279 364183822 /nfs/dbraw/zinc/18/38/22/364183822.db2.gz PAXKMNMIZAEROC-QLFBSQMISA-N 2 1 259.397 2.400 20 0 CEADMP CC1(C)Cc2cc(C[N@H+]3CC[C@@H](C[NH3+])C3)ccc2O1 ZINC000334663201 364150020 /nfs/dbraw/zinc/15/00/20/364150020.db2.gz QIBAPMZAMPGPDS-ZDUSSCGKSA-N 2 1 260.381 2.181 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CS[C@@H](C)C2)CC1 ZINC000638726107 370713929 /nfs/dbraw/zinc/71/39/29/370713929.db2.gz OBGZITDKYJQFCI-DZGCQCFKSA-N 2 1 286.485 2.359 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+]CCC[C@H]2CCO2)CC1 ZINC000638727776 370714852 /nfs/dbraw/zinc/71/48/52/370714852.db2.gz GFEIDIYTSKZZNJ-INIZCTEOSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638754213 370725525 /nfs/dbraw/zinc/72/55/25/370725525.db2.gz VBTQGECWYSEEGF-LXZKKBNFSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638754213 370725527 /nfs/dbraw/zinc/72/55/27/370725527.db2.gz VBTQGECWYSEEGF-LXZKKBNFSA-N 2 1 274.408 2.325 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000093683458 364213838 /nfs/dbraw/zinc/21/38/38/364213838.db2.gz GTDBLVPYCYXRHQ-HNNXBMFYSA-N 2 1 289.423 2.403 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000093683458 364213840 /nfs/dbraw/zinc/21/38/40/364213840.db2.gz GTDBLVPYCYXRHQ-HNNXBMFYSA-N 2 1 289.423 2.403 20 0 CEADMP C[N@H+](Cc1ccc(F)c(F)c1)CC1CC[NH2+]CC1 ZINC000094010610 364246921 /nfs/dbraw/zinc/24/69/21/364246921.db2.gz CQWROEXOIJCFRA-UHFFFAOYSA-N 2 1 254.324 2.396 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000356604726 370770581 /nfs/dbraw/zinc/77/05/81/370770581.db2.gz SNSPFFAKBAHPFW-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000356604726 370770582 /nfs/dbraw/zinc/77/05/82/370770582.db2.gz SNSPFFAKBAHPFW-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000356604726 370770586 /nfs/dbraw/zinc/77/05/86/370770586.db2.gz SNSPFFAKBAHPFW-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000094370889 364271934 /nfs/dbraw/zinc/27/19/34/364271934.db2.gz VBZRLSRICHXCDS-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000094589982 364280107 /nfs/dbraw/zinc/28/01/07/364280107.db2.gz LCHKHSIAVPJOMA-VXGBXAGGSA-N 2 1 265.426 2.422 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000094589982 364280114 /nfs/dbraw/zinc/28/01/14/364280114.db2.gz LCHKHSIAVPJOMA-VXGBXAGGSA-N 2 1 265.426 2.422 20 0 CEADMP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000335022370 364365073 /nfs/dbraw/zinc/36/50/73/364365073.db2.gz LBGQEFXJQFMMLJ-KBPBESRZSA-N 2 1 257.381 2.456 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000335040085 364389161 /nfs/dbraw/zinc/38/91/61/364389161.db2.gz OLMWGCZUWKHHIC-IINYFYTJSA-N 2 1 254.324 2.443 20 0 CEADMP CC[N@H+](C)CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000582011853 366850777 /nfs/dbraw/zinc/85/07/77/366850777.db2.gz OVIVOAKJYYULIQ-CQSZACIVSA-N 2 1 297.830 2.011 20 0 CEADMP CC[N@@H+](C)CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000582011853 366850783 /nfs/dbraw/zinc/85/07/83/366850783.db2.gz OVIVOAKJYYULIQ-CQSZACIVSA-N 2 1 297.830 2.011 20 0 CEADMP COc1ccnc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158962721 366863410 /nfs/dbraw/zinc/86/34/10/366863410.db2.gz FQICVXBXJPSLIG-CJNGLKHVSA-N 2 1 275.396 2.006 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000112401292 364804718 /nfs/dbraw/zinc/80/47/18/364804718.db2.gz RFVDENMEXPINJF-QLFBSQMISA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[NH+](C)CCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000112401292 364804725 /nfs/dbraw/zinc/80/47/25/364804725.db2.gz RFVDENMEXPINJF-QLFBSQMISA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[NH+](C)CCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000112401292 364804733 /nfs/dbraw/zinc/80/47/33/364804733.db2.gz RFVDENMEXPINJF-QLFBSQMISA-N 2 1 283.460 2.096 20 0 CEADMP [NH3+]CC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000335565104 364805478 /nfs/dbraw/zinc/80/54/78/364805478.db2.gz NZIBENAGPJDXLV-LBPRGKRZSA-N 2 1 269.186 2.375 20 0 CEADMP Cc1cnccc1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000335464931 364770846 /nfs/dbraw/zinc/77/08/46/364770846.db2.gz XUUUGHJLMHFUOL-DLBZAZTESA-N 2 1 273.424 2.349 20 0 CEADMP Cc1cnccc1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335464931 364770854 /nfs/dbraw/zinc/77/08/54/364770854.db2.gz XUUUGHJLMHFUOL-DLBZAZTESA-N 2 1 273.424 2.349 20 0 CEADMP Cc1cnccc1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335464931 364770859 /nfs/dbraw/zinc/77/08/59/364770859.db2.gz XUUUGHJLMHFUOL-DLBZAZTESA-N 2 1 273.424 2.349 20 0 CEADMP CC1(C)CCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000335644946 364818558 /nfs/dbraw/zinc/81/85/58/364818558.db2.gz YRTOWWWDHNQSNR-GPANFISMSA-N 2 1 279.472 2.371 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C)CC2)CC1 ZINC000114455804 364945394 /nfs/dbraw/zinc/94/53/94/364945394.db2.gz OMMVAGPVBTZQTB-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP C=Cn1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000335801237 365001842 /nfs/dbraw/zinc/00/18/42/365001842.db2.gz VUERFFGOTMKABY-UHFFFAOYSA-N 2 1 260.385 2.044 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000335804985 365006913 /nfs/dbraw/zinc/00/69/13/365006913.db2.gz CWUISQUVGYUHTB-LSDHHAIUSA-N 2 1 284.469 2.115 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000335937514 365184352 /nfs/dbraw/zinc/18/43/52/365184352.db2.gz FQFYJPJIMCUXNU-LSDHHAIUSA-N 2 1 295.471 2.048 20 0 CEADMP CCc1nocc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335940942 365191640 /nfs/dbraw/zinc/19/16/40/365191640.db2.gz BZYUFKBLCRBIOF-WFASDCNBSA-N 2 1 263.385 2.153 20 0 CEADMP CCc1nocc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335940942 365191643 /nfs/dbraw/zinc/19/16/43/365191643.db2.gz BZYUFKBLCRBIOF-WFASDCNBSA-N 2 1 263.385 2.153 20 0 CEADMP CCc1nocc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000335940942 365191646 /nfs/dbraw/zinc/19/16/46/365191646.db2.gz BZYUFKBLCRBIOF-WFASDCNBSA-N 2 1 263.385 2.153 20 0 CEADMP CCc1nocc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000335940942 365191649 /nfs/dbraw/zinc/19/16/49/365191649.db2.gz BZYUFKBLCRBIOF-WFASDCNBSA-N 2 1 263.385 2.153 20 0 CEADMP CC(C)[C@@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000357261409 370811183 /nfs/dbraw/zinc/81/11/83/370811183.db2.gz QQJGSNJVGOFEMH-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000357261409 370811186 /nfs/dbraw/zinc/81/11/86/370811186.db2.gz QQJGSNJVGOFEMH-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000357261409 370811188 /nfs/dbraw/zinc/81/11/88/370811188.db2.gz QQJGSNJVGOFEMH-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(CO)cc1)CC2 ZINC000335990646 365261370 /nfs/dbraw/zinc/26/13/70/365261370.db2.gz UVBRTTXNBLOQMU-UHFFFAOYSA-N 2 1 274.408 2.239 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](Cc1ccc(CO)cc1)CC2 ZINC000335990646 365261378 /nfs/dbraw/zinc/26/13/78/365261378.db2.gz UVBRTTXNBLOQMU-UHFFFAOYSA-N 2 1 274.408 2.239 20 0 CEADMP CCCC[C@@H](COC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119698381 365311873 /nfs/dbraw/zinc/31/18/73/365311873.db2.gz JDMVLGWEGBTWFN-AWEZNQCLSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)O[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000582179100 366875234 /nfs/dbraw/zinc/87/52/34/366875234.db2.gz JRPRLVRACLTQHU-HUUCEWRRSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)O[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000582179100 366875238 /nfs/dbraw/zinc/87/52/38/366875238.db2.gz JRPRLVRACLTQHU-HUUCEWRRSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)O[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000582179100 366875245 /nfs/dbraw/zinc/87/52/45/366875245.db2.gz JRPRLVRACLTQHU-HUUCEWRRSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000275680946 193104382 /nfs/dbraw/zinc/10/43/82/193104382.db2.gz IEVTYMIHQICZNL-PVAVHDDUSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000275680946 193104383 /nfs/dbraw/zinc/10/43/83/193104383.db2.gz IEVTYMIHQICZNL-PVAVHDDUSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc[nH]c(=O)c1 ZINC000340450256 366890040 /nfs/dbraw/zinc/89/00/40/366890040.db2.gz QBPMGQJNELRZEH-YUTCNCBUSA-N 2 1 261.369 2.065 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CC2)[C@H](C)C1 ZINC000340487011 366903856 /nfs/dbraw/zinc/90/38/56/366903856.db2.gz JYYMNCSHXXRWBA-PVAVHDDUSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000340473004 366898931 /nfs/dbraw/zinc/89/89/31/366898931.db2.gz JIARVZXRJVWCLI-HOTGVXAUSA-N 3 1 267.461 2.325 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)CCN1C ZINC000340473004 366898939 /nfs/dbraw/zinc/89/89/39/366898939.db2.gz JIARVZXRJVWCLI-HOTGVXAUSA-N 2 1 267.461 2.325 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000582367868 366901563 /nfs/dbraw/zinc/90/15/63/366901563.db2.gz IVFLQXFRANSCLA-DZGCQCFKSA-N 2 1 270.380 2.184 20 0 CEADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000340483878 366902876 /nfs/dbraw/zinc/90/28/76/366902876.db2.gz LDBACFVCRBMDDM-GVDBMIGSSA-N 2 1 280.456 2.392 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000582677638 366943764 /nfs/dbraw/zinc/94/37/64/366943764.db2.gz SXKXTCLZOIJQMJ-XFIYOXNOSA-N 2 1 267.461 2.212 20 0 CEADMP CC(C)CCOCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582421084 366910166 /nfs/dbraw/zinc/91/01/66/366910166.db2.gz VLSPHRZOOAQFOX-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000160092991 366973872 /nfs/dbraw/zinc/97/38/72/366973872.db2.gz JVNQUKGSECCJOZ-ZQDZILKHSA-N 2 1 255.450 2.035 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000160092991 366973880 /nfs/dbraw/zinc/97/38/80/366973880.db2.gz JVNQUKGSECCJOZ-ZQDZILKHSA-N 2 1 255.450 2.035 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000160092991 366973885 /nfs/dbraw/zinc/97/38/85/366973885.db2.gz JVNQUKGSECCJOZ-ZQDZILKHSA-N 2 1 255.450 2.035 20 0 CEADMP CC(C)C[C@@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000340663343 366974643 /nfs/dbraw/zinc/97/46/43/366974643.db2.gz WCJZCOGEIAJXLC-GFCCVEGCSA-N 2 1 260.341 2.241 20 0 CEADMP C[C@@H](N[C@@H](C)C[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583066318 366995977 /nfs/dbraw/zinc/99/59/77/366995977.db2.gz GRPKCOJBBFUKDD-JZXOWHBKSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)CN(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583066318 366995982 /nfs/dbraw/zinc/99/59/82/366995982.db2.gz GRPKCOJBBFUKDD-JZXOWHBKSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)CN(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583066318 366995990 /nfs/dbraw/zinc/99/59/90/366995990.db2.gz GRPKCOJBBFUKDD-JZXOWHBKSA-N 2 1 289.467 2.437 20 0 CEADMP COc1ccc(C[N@@H+](C)CCn2ccnc2)c(OC)c1 ZINC000162227536 367146990 /nfs/dbraw/zinc/14/69/90/367146990.db2.gz DDRXTLRUJBHYMD-UHFFFAOYSA-N 2 1 275.352 2.032 20 0 CEADMP COc1ccc(CN(C)CCn2ccnc2)c(OC)c1 ZINC000162227536 367146995 /nfs/dbraw/zinc/14/69/95/367146995.db2.gz DDRXTLRUJBHYMD-UHFFFAOYSA-N 2 1 275.352 2.032 20 0 CEADMP Cc1cnn([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)c1 ZINC000162983577 367209752 /nfs/dbraw/zinc/20/97/52/367209752.db2.gz RSAIITLEWSLWRA-MRXNPFEDSA-N 2 1 287.411 2.424 20 0 CEADMP Cc1cnn([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)c1 ZINC000162983577 367209753 /nfs/dbraw/zinc/20/97/53/367209753.db2.gz RSAIITLEWSLWRA-MRXNPFEDSA-N 2 1 287.411 2.424 20 0 CEADMP O=C(N[C@@H]1CCC[N@H+](C2CCCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000168527323 367355489 /nfs/dbraw/zinc/35/54/89/367355489.db2.gz IBOAVVUSISVOEA-ZBFHGGJFSA-N 2 1 293.455 2.042 20 0 CEADMP COC1(C)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000342144855 367386248 /nfs/dbraw/zinc/38/62/48/367386248.db2.gz CJJFXJZMCQFBGJ-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP CC/C=C\CCN1CCC([N@@H+](C)CCCO)CC1 ZINC000342219343 367394561 /nfs/dbraw/zinc/39/45/61/367394561.db2.gz QYJGEJQNBJSUSX-PLNGDYQASA-N 2 1 254.418 2.121 20 0 CEADMP CC/C=C\CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000342219343 367394570 /nfs/dbraw/zinc/39/45/70/367394570.db2.gz QYJGEJQNBJSUSX-PLNGDYQASA-N 2 1 254.418 2.121 20 0 CEADMP CC1(C)CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000342663732 367474365 /nfs/dbraw/zinc/47/43/65/367474365.db2.gz BGKBZODLPBMZDY-WMZOPIPTSA-N 2 1 288.435 2.402 20 0 CEADMP CC1(C)CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000342663732 367474370 /nfs/dbraw/zinc/47/43/70/367474370.db2.gz BGKBZODLPBMZDY-WMZOPIPTSA-N 2 1 288.435 2.402 20 0 CEADMP CCC1CC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000342708706 367494076 /nfs/dbraw/zinc/49/40/76/367494076.db2.gz LQYNOELFMVKJRU-NRXISQOPSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631608908 367438914 /nfs/dbraw/zinc/43/89/14/367438914.db2.gz SVELCXTWUXABHH-INIZCTEOSA-N 2 1 257.381 2.311 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000332590498 299370639 /nfs/dbraw/zinc/37/06/39/299370639.db2.gz KHJFGRLJJFVELO-IACUBPJLSA-N 2 1 276.380 2.378 20 0 CEADMP Cc1nccnc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000631826839 367565906 /nfs/dbraw/zinc/56/59/06/367565906.db2.gz YDHURPOKWDWPDA-UHFFFAOYSA-N 2 1 262.401 2.126 20 0 CEADMP CCCN(CC[NH+]1CCCCC1)C(=O)C[N@@H+](C)CCC ZINC000342801770 367544967 /nfs/dbraw/zinc/54/49/67/367544967.db2.gz GDDJANUCKISTMA-UHFFFAOYSA-N 2 1 283.460 2.053 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342809412 367550102 /nfs/dbraw/zinc/55/01/02/367550102.db2.gz JQOVNGGNQJTTGX-IOASZLSFSA-N 2 1 286.423 2.424 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631838257 367577253 /nfs/dbraw/zinc/57/72/53/367577253.db2.gz LCXBFKFJDSCHSJ-QLFBSQMISA-N 2 1 289.423 2.157 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631838257 367577259 /nfs/dbraw/zinc/57/72/59/367577259.db2.gz LCXBFKFJDSCHSJ-QLFBSQMISA-N 2 1 289.423 2.157 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1C[NH3+] ZINC000631839230 367578244 /nfs/dbraw/zinc/57/82/44/367578244.db2.gz CCXJLSBKJLWIIE-TZMCWYRMSA-N 2 1 271.364 2.368 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1C[NH3+] ZINC000631839230 367578254 /nfs/dbraw/zinc/57/82/54/367578254.db2.gz CCXJLSBKJLWIIE-TZMCWYRMSA-N 2 1 271.364 2.368 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)C[C@H]1C[NH3+] ZINC000631840702 367580797 /nfs/dbraw/zinc/58/07/97/367580797.db2.gz UPSJCEZXDYSKPT-CMPLNLGQSA-N 2 1 270.323 2.315 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889291 367611099 /nfs/dbraw/zinc/61/10/99/367611099.db2.gz HUPUYLRLPLRBPQ-QWHCGFSZSA-N 2 1 265.426 2.068 20 0 CEADMP c1ccc2c(CC[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)noc2c1 ZINC000631888951 367611289 /nfs/dbraw/zinc/61/12/89/367611289.db2.gz AATFKSDOIRYANK-CZUORRHYSA-N 2 1 285.391 2.444 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)C1CCCC1 ZINC000631891225 367612745 /nfs/dbraw/zinc/61/27/45/367612745.db2.gz XBLJQEJXNHSAGE-OWCLPIDISA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCc2nccs2)CC[N@H+]1C ZINC000358052651 370886707 /nfs/dbraw/zinc/88/67/07/370886707.db2.gz YAMPBUXBNLPECQ-VXGBXAGGSA-N 2 1 253.415 2.148 20 0 CEADMP C(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C[NH+]1CCCC1 ZINC000245921072 370888601 /nfs/dbraw/zinc/88/86/01/370888601.db2.gz SRXYDBJEFRKJIL-FUHWJXTLSA-N 2 1 291.483 2.421 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358073112 370893677 /nfs/dbraw/zinc/89/36/77/370893677.db2.gz DKEZPOXESLNKBE-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358073112 370893679 /nfs/dbraw/zinc/89/36/79/370893679.db2.gz DKEZPOXESLNKBE-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358073112 370893680 /nfs/dbraw/zinc/89/36/80/370893680.db2.gz DKEZPOXESLNKBE-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343757989 367990914 /nfs/dbraw/zinc/99/09/14/367990914.db2.gz GWSKARPVJSROKO-CABCVRRESA-N 2 1 267.461 2.133 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCNC(=O)CC2CCCC2)[C@@H](C)C1 ZINC000345159593 368174993 /nfs/dbraw/zinc/17/49/93/368174993.db2.gz HUPKWISFPUZGHN-GOEBONIOSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCn2cccn2)C1 ZINC000245992215 370897526 /nfs/dbraw/zinc/89/75/26/370897526.db2.gz QWJKOHYVCCSHDG-CVEARBPZSA-N 2 1 278.444 2.372 20 0 CEADMP CC[C@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH+](CC)CC ZINC000345501215 368300808 /nfs/dbraw/zinc/30/08/08/368300808.db2.gz FLDMGBDGHAZBEJ-OWCLPIDISA-N 2 1 297.487 2.486 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000345731713 368393187 /nfs/dbraw/zinc/39/31/87/368393187.db2.gz TVEPXQSBADYKTB-OAHLLOKOSA-N 2 1 286.460 2.234 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCOc2ncccc2Cl)CC[N@@H+]1C ZINC000181321337 368444064 /nfs/dbraw/zinc/44/40/64/368444064.db2.gz JRAYHUTYSCBXLA-NWDGAFQWSA-N 2 1 283.803 2.186 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCOc2ncccc2Cl)CC[N@H+]1C ZINC000181321337 368444070 /nfs/dbraw/zinc/44/40/70/368444070.db2.gz JRAYHUTYSCBXLA-NWDGAFQWSA-N 2 1 283.803 2.186 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C12CCC2 ZINC000181751756 368492179 /nfs/dbraw/zinc/49/21/79/368492179.db2.gz IGNKWABRCDJHRW-CABCVRRESA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(-n2ccnn2)cc1 ZINC000182056089 368519300 /nfs/dbraw/zinc/51/93/00/368519300.db2.gz RSPZNPZAZYOEIB-ZBFHGGJFSA-N 2 1 299.422 2.402 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccnn1C ZINC000682647821 541692680 /nfs/dbraw/zinc/69/26/80/541692680.db2.gz VAKNSKYNBYGGOF-OAGGEKHMSA-N 2 1 290.455 2.376 20 0 CEADMP CO[C@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346169373 368572352 /nfs/dbraw/zinc/57/23/52/368572352.db2.gz JGEDTWSKLKBTCE-INIZCTEOSA-N 2 1 286.379 2.187 20 0 CEADMP CC/C=C/CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000184539607 368701722 /nfs/dbraw/zinc/70/17/22/368701722.db2.gz PQTURXNRNOOTBO-BDUNBXCCSA-N 2 1 279.472 2.445 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000346572768 368722533 /nfs/dbraw/zinc/72/25/33/368722533.db2.gz YHUMXXYKFMEKJB-KKUMJFAQSA-N 2 1 254.418 2.264 20 0 CEADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000639049481 370926803 /nfs/dbraw/zinc/92/68/03/370926803.db2.gz SLNSQRMBIGLHRL-BZUAXINKSA-N 2 1 266.429 2.168 20 0 CEADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000639049481 370926808 /nfs/dbraw/zinc/92/68/08/370926808.db2.gz SLNSQRMBIGLHRL-BZUAXINKSA-N 2 1 266.429 2.168 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc(-c2ccncc2)s1 ZINC000346673117 368763221 /nfs/dbraw/zinc/76/32/21/368763221.db2.gz HXLAKUKHWQVFKD-RYUDHWBXSA-N 2 1 288.420 2.374 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CCOC)CC2)[C@@H](C)C1 ZINC000246264541 370938382 /nfs/dbraw/zinc/93/83/82/370938382.db2.gz ABOJVHBSPFJDOF-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP COc1c(C)cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000346693774 368776063 /nfs/dbraw/zinc/77/60/63/368776063.db2.gz PQDSKWUMFKNORD-HIFRSBDPSA-N 2 1 262.397 2.481 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000346687072 368769524 /nfs/dbraw/zinc/76/95/24/368769524.db2.gz VANFDOFKLOHAAA-TZMCWYRMSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000346687072 368769529 /nfs/dbraw/zinc/76/95/29/368769529.db2.gz VANFDOFKLOHAAA-TZMCWYRMSA-N 2 1 270.380 2.246 20 0 CEADMP Cc1[nH]nc2ncc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc12 ZINC000346687079 368769773 /nfs/dbraw/zinc/76/97/73/368769773.db2.gz VFJZZQIRQXSACS-CQSZACIVSA-N 2 1 275.400 2.072 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc12 ZINC000346687079 368769780 /nfs/dbraw/zinc/76/97/80/368769780.db2.gz VFJZZQIRQXSACS-CQSZACIVSA-N 2 1 275.400 2.072 20 0 CEADMP C[N@H+](Cc1cccc2c1OCCCO2)CC(C)(C)C[NH3+] ZINC000346693167 368776410 /nfs/dbraw/zinc/77/64/10/368776410.db2.gz LBSFZJPGJGJJMV-UHFFFAOYSA-N 2 1 278.396 2.265 20 0 CEADMP C[N@@H+](Cc1cccc2c1OCCCO2)CC(C)(C)C[NH3+] ZINC000346693167 368776413 /nfs/dbraw/zinc/77/64/13/368776413.db2.gz LBSFZJPGJGJJMV-UHFFFAOYSA-N 2 1 278.396 2.265 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000346693260 368776474 /nfs/dbraw/zinc/77/64/74/368776474.db2.gz LTSCRTMLEHIHBK-QWHCGFSZSA-N 2 1 288.370 2.181 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346693112 368774588 /nfs/dbraw/zinc/77/45/88/368774588.db2.gz KVCWHGVOLXCFIU-NFAWXSAZSA-N 2 1 254.418 2.108 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346658277 368756219 /nfs/dbraw/zinc/75/62/19/368756219.db2.gz UGNXGDFUTLUINJ-FRGQNTEPSA-N 2 1 260.381 2.378 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000346660956 368757592 /nfs/dbraw/zinc/75/75/92/368757592.db2.gz AOQXQHDBHCYDTM-NFAWXSAZSA-N 2 1 262.397 2.468 20 0 CEADMP Cc1cc(N2CC[N@H+]3CCC[C@H]3C2)nc(C(C)C)n1 ZINC000347154378 368801474 /nfs/dbraw/zinc/80/14/74/368801474.db2.gz QSCOFCNRLFJYNE-ZDUSSCGKSA-N 2 1 260.385 2.193 20 0 CEADMP Cc1noc(C)c1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732730 368844524 /nfs/dbraw/zinc/84/45/24/368844524.db2.gz NEKVEAONQNUBOK-LBPRGKRZSA-N 2 1 251.374 2.159 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000634733296 368844576 /nfs/dbraw/zinc/84/45/76/368844576.db2.gz CAULXSVQZWXBFV-YHUYYLMFSA-N 2 1 279.472 2.275 20 0 CEADMP Cc1nccn1CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934178 368828726 /nfs/dbraw/zinc/82/87/26/368828726.db2.gz QXSKZWAQJVSLBI-GOEBONIOSA-N 2 1 290.455 2.434 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934178 368828730 /nfs/dbraw/zinc/82/87/30/368828730.db2.gz QXSKZWAQJVSLBI-GOEBONIOSA-N 3 1 290.455 2.434 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934178 368828735 /nfs/dbraw/zinc/82/87/35/368828735.db2.gz QXSKZWAQJVSLBI-GOEBONIOSA-N 3 1 290.455 2.434 20 0 CEADMP O[C@]1(C[NH2+]CC2CC=CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634722940 368839775 /nfs/dbraw/zinc/83/97/75/368839775.db2.gz XOVSYOIFYNCVBF-SFHVURJKSA-N 2 1 286.419 2.179 20 0 CEADMP O[C@]1(C[NH2+]CC2CC=CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634722940 368839778 /nfs/dbraw/zinc/83/97/78/368839778.db2.gz XOVSYOIFYNCVBF-SFHVURJKSA-N 2 1 286.419 2.179 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000634724884 368840399 /nfs/dbraw/zinc/84/03/99/368840399.db2.gz ZFNSORQJCUSKFP-PVAVHDDUSA-N 2 1 276.424 2.115 20 0 CEADMP C[C@H]([NH2+]CCn1cccn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185680725 368841591 /nfs/dbraw/zinc/84/15/91/368841591.db2.gz YRWQZTVKPKTAIR-GJZGRUSLSA-N 2 1 276.428 2.126 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634637537 368790478 /nfs/dbraw/zinc/79/04/78/368790478.db2.gz WWKUTUXZRQMFCH-AEFFLSMTSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634637537 368790481 /nfs/dbraw/zinc/79/04/81/368790481.db2.gz WWKUTUXZRQMFCH-AEFFLSMTSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634637537 368790486 /nfs/dbraw/zinc/79/04/86/368790486.db2.gz WWKUTUXZRQMFCH-AEFFLSMTSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634637537 368790491 /nfs/dbraw/zinc/79/04/91/368790491.db2.gz WWKUTUXZRQMFCH-AEFFLSMTSA-N 2 1 288.435 2.355 20 0 CEADMP C[N@H+](CC(C)(C)[NH3+])[C@H]1CCCN(c2ccccc2)C1 ZINC000346998919 368794551 /nfs/dbraw/zinc/79/45/51/368794551.db2.gz XNUVDIRLVOUGFD-HNNXBMFYSA-N 2 1 261.413 2.325 20 0 CEADMP C[N@@H+](CC(C)(C)[NH3+])[C@H]1CCCN(c2ccccc2)C1 ZINC000346998919 368794558 /nfs/dbraw/zinc/79/45/58/368794558.db2.gz XNUVDIRLVOUGFD-HNNXBMFYSA-N 2 1 261.413 2.325 20 0 CEADMP CC[C@H]1CC[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648380 368795865 /nfs/dbraw/zinc/79/58/65/368795865.db2.gz PUIRUHWOIBOWHH-DLBZAZTESA-N 2 1 274.408 2.108 20 0 CEADMP CC[C@H]1CC[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648380 368795869 /nfs/dbraw/zinc/79/58/69/368795869.db2.gz PUIRUHWOIBOWHH-DLBZAZTESA-N 2 1 274.408 2.108 20 0 CEADMP CC[C@H]1CC[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634648380 368795872 /nfs/dbraw/zinc/79/58/72/368795872.db2.gz PUIRUHWOIBOWHH-DLBZAZTESA-N 2 1 274.408 2.108 20 0 CEADMP CC[C@H]1CC[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634648380 368795877 /nfs/dbraw/zinc/79/58/77/368795877.db2.gz PUIRUHWOIBOWHH-DLBZAZTESA-N 2 1 274.408 2.108 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347007381 368796686 /nfs/dbraw/zinc/79/66/86/368796686.db2.gz QFVLOYLUQQENBE-YCPHGPKFSA-N 2 1 268.445 2.498 20 0 CEADMP CCN(CCC[NH+](C)C)C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000348162152 368928911 /nfs/dbraw/zinc/92/89/11/368928911.db2.gz ZFQDGGQQEIFKGB-QLFBSQMISA-N 2 1 283.460 2.048 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCSCC[C@H]1C ZINC000348182397 368937056 /nfs/dbraw/zinc/93/70/56/368937056.db2.gz KZAYAAKAOMNREK-GFCCVEGCSA-N 2 1 253.415 2.409 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCSCC[C@H]1C ZINC000348182397 368937062 /nfs/dbraw/zinc/93/70/62/368937062.db2.gz KZAYAAKAOMNREK-GFCCVEGCSA-N 2 1 253.415 2.409 20 0 CEADMP CCn1cc(CC[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cn1 ZINC000348313627 368997606 /nfs/dbraw/zinc/99/76/06/368997606.db2.gz AUNPAPDWTWHKBB-ZBFHGGJFSA-N 2 1 278.444 2.108 20 0 CEADMP CCn1cc(CC[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cn1 ZINC000348313627 368997611 /nfs/dbraw/zinc/99/76/11/368997611.db2.gz AUNPAPDWTWHKBB-ZBFHGGJFSA-N 2 1 278.444 2.108 20 0 CEADMP CCn1cc(CC[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cn1 ZINC000348313627 368997616 /nfs/dbraw/zinc/99/76/16/368997616.db2.gz AUNPAPDWTWHKBB-ZBFHGGJFSA-N 2 1 278.444 2.108 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCCC1 ZINC000348321026 369002182 /nfs/dbraw/zinc/00/21/82/369002182.db2.gz RCJBEBDNWNCPAA-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634991795 369019676 /nfs/dbraw/zinc/01/96/76/369019676.db2.gz RMIBYEQXSNKFOL-ZFWWWQNUSA-N 2 1 296.418 2.500 20 0 CEADMP CCn1cc(CC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000348363684 369020054 /nfs/dbraw/zinc/02/00/54/369020054.db2.gz SRTARPIYJKUIDG-KRWDZBQOSA-N 2 1 290.455 2.109 20 0 CEADMP CCn1cc(CC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000348363684 369020057 /nfs/dbraw/zinc/02/00/57/369020057.db2.gz SRTARPIYJKUIDG-KRWDZBQOSA-N 2 1 290.455 2.109 20 0 CEADMP CCn1cc(CC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000348363684 369020064 /nfs/dbraw/zinc/02/00/64/369020064.db2.gz SRTARPIYJKUIDG-KRWDZBQOSA-N 2 1 290.455 2.109 20 0 CEADMP CCn1cc(CC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000348363684 369020071 /nfs/dbraw/zinc/02/00/71/369020071.db2.gz SRTARPIYJKUIDG-KRWDZBQOSA-N 2 1 290.455 2.109 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3cnccc3c2)C[C@H]1C[NH3+] ZINC000634998135 369029536 /nfs/dbraw/zinc/02/95/36/369029536.db2.gz BFHFSWCTYKESTH-MLGOLLRUSA-N 2 1 255.365 2.261 20 0 CEADMP C[C@H]1C[N@H+](Cc2nc3c(s2)CCCC3)C[C@H]1C[NH3+] ZINC000634998962 369030954 /nfs/dbraw/zinc/03/09/54/369030954.db2.gz NNCYTCCBWSMFCU-WDEREUQCSA-N 2 1 265.426 2.049 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nc3c(s2)CCCC3)C[C@H]1C[NH3+] ZINC000634998962 369030959 /nfs/dbraw/zinc/03/09/59/369030959.db2.gz NNCYTCCBWSMFCU-WDEREUQCSA-N 2 1 265.426 2.049 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnc(C3CCC3)s2)C[C@H]1C[NH3+] ZINC000634999321 369034179 /nfs/dbraw/zinc/03/41/79/369034179.db2.gz SGTCOCTXOMFIRV-ZYHUDNBSSA-N 2 1 265.426 2.437 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(C3CCC3)s2)C[C@H]1C[NH3+] ZINC000634999321 369034183 /nfs/dbraw/zinc/03/41/83/369034183.db2.gz SGTCOCTXOMFIRV-ZYHUDNBSSA-N 2 1 265.426 2.437 20 0 CEADMP CC[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1nccn1C ZINC000635003550 369039734 /nfs/dbraw/zinc/03/97/34/369039734.db2.gz AJJKBCVJYVECAQ-HOTGVXAUSA-N 2 1 286.423 2.421 20 0 CEADMP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cnccc1N ZINC000635004888 369041619 /nfs/dbraw/zinc/04/16/19/369041619.db2.gz GCVKNASZKVUFJC-ZFWWWQNUSA-N 2 1 284.407 2.105 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000635011012 369048885 /nfs/dbraw/zinc/04/88/85/369048885.db2.gz CHYFGNSELQYVQX-KSZLIROESA-N 2 1 287.451 2.429 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000635011012 369048889 /nfs/dbraw/zinc/04/88/89/369048889.db2.gz CHYFGNSELQYVQX-KSZLIROESA-N 2 1 287.451 2.429 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635471628 369184309 /nfs/dbraw/zinc/18/43/09/369184309.db2.gz JYPMCSIGWHKJEF-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635471628 369184315 /nfs/dbraw/zinc/18/43/15/369184315.db2.gz JYPMCSIGWHKJEF-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635471628 369184323 /nfs/dbraw/zinc/18/43/23/369184323.db2.gz JYPMCSIGWHKJEF-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635471627 369184574 /nfs/dbraw/zinc/18/45/74/369184574.db2.gz JYPMCSIGWHKJEF-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635471627 369184580 /nfs/dbraw/zinc/18/45/80/369184580.db2.gz JYPMCSIGWHKJEF-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635471627 369184587 /nfs/dbraw/zinc/18/45/87/369184587.db2.gz JYPMCSIGWHKJEF-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000187723401 369211273 /nfs/dbraw/zinc/21/12/73/369211273.db2.gz MYUQDEZGABCTOG-INMHGKMJSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000187723401 369211278 /nfs/dbraw/zinc/21/12/78/369211278.db2.gz MYUQDEZGABCTOG-INMHGKMJSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000187723401 369211283 /nfs/dbraw/zinc/21/12/83/369211283.db2.gz MYUQDEZGABCTOG-INMHGKMJSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000187723401 369211286 /nfs/dbraw/zinc/21/12/86/369211286.db2.gz MYUQDEZGABCTOG-INMHGKMJSA-N 2 1 276.424 2.352 20 0 CEADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635555506 369217156 /nfs/dbraw/zinc/21/71/56/369217156.db2.gz DJBWITDOPLJRTQ-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)[C@@H](C)C1 ZINC000635602025 369240826 /nfs/dbraw/zinc/24/08/26/369240826.db2.gz FHLZNBYZOKURHM-LSDHHAIUSA-N 2 1 297.487 2.153 20 0 CEADMP CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC000635602025 369240835 /nfs/dbraw/zinc/24/08/35/369240835.db2.gz FHLZNBYZOKURHM-LSDHHAIUSA-N 2 1 297.487 2.153 20 0 CEADMP CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC000635602025 369240837 /nfs/dbraw/zinc/24/08/37/369240837.db2.gz FHLZNBYZOKURHM-LSDHHAIUSA-N 2 1 297.487 2.153 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1C ZINC000349148191 369253112 /nfs/dbraw/zinc/25/31/12/369253112.db2.gz JHKJJQYGANIZMB-CQSZACIVSA-N 2 1 287.411 2.243 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)nnn2C ZINC000349347777 369305968 /nfs/dbraw/zinc/30/59/68/369305968.db2.gz MEQGZSLAPCKXPT-UHFFFAOYSA-N 2 1 289.427 2.132 20 0 CEADMP C[N@@H+](CC(=O)N1CCC2(CCC[NH+]2C)CC1)CC(C)(C)C ZINC000635765064 369330884 /nfs/dbraw/zinc/33/08/84/369330884.db2.gz QOTAQLLPBAJKGE-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+](CC(=O)N1CCC2(CCC[N@@H+]2C)CC1)CC(C)(C)C ZINC000635765064 369330889 /nfs/dbraw/zinc/33/08/89/369330889.db2.gz QOTAQLLPBAJKGE-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+](CC(=O)N1CCC2(CCC[N@H+]2C)CC1)CC(C)(C)C ZINC000635765064 369330894 /nfs/dbraw/zinc/33/08/94/369330894.db2.gz QOTAQLLPBAJKGE-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C)nc1 ZINC000349413855 369323558 /nfs/dbraw/zinc/32/35/58/369323558.db2.gz FOSSJCJBSJWDBU-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C)nc1 ZINC000349413855 369323563 /nfs/dbraw/zinc/32/35/63/369323563.db2.gz FOSSJCJBSJWDBU-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000349561835 369345442 /nfs/dbraw/zinc/34/54/42/369345442.db2.gz CATWCYLDGHBWOE-GFCCVEGCSA-N 2 1 266.360 2.353 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000349561835 369345445 /nfs/dbraw/zinc/34/54/45/369345445.db2.gz CATWCYLDGHBWOE-GFCCVEGCSA-N 2 1 266.360 2.353 20 0 CEADMP C[C@@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+]1CCCCC1 ZINC000635796333 369349061 /nfs/dbraw/zinc/34/90/61/369349061.db2.gz YUDNEEDEZCZEQC-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000635941146 369414908 /nfs/dbraw/zinc/41/49/08/369414908.db2.gz SDSWPTLRMLKGCD-CQSZACIVSA-N 2 1 294.443 2.243 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000635941146 369414911 /nfs/dbraw/zinc/41/49/11/369414911.db2.gz SDSWPTLRMLKGCD-CQSZACIVSA-N 2 1 294.443 2.243 20 0 CEADMP COc1cccc(COCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000358225749 370959945 /nfs/dbraw/zinc/95/99/45/370959945.db2.gz MGCIWPKXBMDYSM-HOCLYGCPSA-N 2 1 292.423 2.284 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc(C)c1F ZINC000358254379 370975023 /nfs/dbraw/zinc/97/50/23/370975023.db2.gz PKSYXXXNFDCUPD-CJNGLKHVSA-N 2 1 280.387 2.160 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc(C)c1F ZINC000358254379 370975027 /nfs/dbraw/zinc/97/50/27/370975027.db2.gz PKSYXXXNFDCUPD-CJNGLKHVSA-N 2 1 280.387 2.160 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000639105683 370983518 /nfs/dbraw/zinc/98/35/18/370983518.db2.gz USLIHQYNOSVFCZ-ZNMIVQPWSA-N 2 1 256.434 2.464 20 0 CEADMP CC(C)OC1CC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000189517774 369529578 /nfs/dbraw/zinc/52/95/78/369529578.db2.gz CMYOKKBZQYEURG-OPFPJEHXSA-N 2 1 252.402 2.016 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000358264007 370981531 /nfs/dbraw/zinc/98/15/31/370981531.db2.gz YACWPVAMVUKHCN-GOEBONIOSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC000358264007 370981536 /nfs/dbraw/zinc/98/15/36/370981536.db2.gz YACWPVAMVUKHCN-GOEBONIOSA-N 2 1 262.397 2.021 20 0 CEADMP CCc1cccc(OCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000351497592 369638714 /nfs/dbraw/zinc/63/87/14/369638714.db2.gz UOVQNOOFHDCTML-USXIJHARSA-N 2 1 274.408 2.297 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352644948 369818320 /nfs/dbraw/zinc/81/83/20/369818320.db2.gz QWNHKONYXSPPQG-OLZOCXBDSA-N 2 1 286.370 2.111 20 0 CEADMP COC(=O)C(C)(C)CC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352536019 369777459 /nfs/dbraw/zinc/77/74/59/369777459.db2.gz YJBJMHRUKYBPFO-UHFFFAOYSA-N 2 1 284.444 2.417 20 0 CEADMP COCc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352541321 369778639 /nfs/dbraw/zinc/77/86/39/369778639.db2.gz WOQBTQZUVJFJDP-KRWDZBQOSA-N 2 1 274.408 2.409 20 0 CEADMP COCc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352541321 369778641 /nfs/dbraw/zinc/77/86/41/369778641.db2.gz WOQBTQZUVJFJDP-KRWDZBQOSA-N 2 1 274.408 2.409 20 0 CEADMP CC(C)(C)OC1CC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000352568059 369789130 /nfs/dbraw/zinc/78/91/30/369789130.db2.gz TWERWGPIBWFMNX-DNOWBOINSA-N 2 1 266.429 2.406 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@H]2CCCCO2)s1 ZINC000352741367 369863022 /nfs/dbraw/zinc/86/30/22/369863022.db2.gz DVOKBNCGEDJHRF-GFCCVEGCSA-N 2 1 283.441 2.254 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)CCCO)s1 ZINC000352743574 369863160 /nfs/dbraw/zinc/86/31/60/369863160.db2.gz VRFKOKPSNROFAJ-UHFFFAOYSA-N 2 1 285.457 2.093 20 0 CEADMP CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352749069 369866359 /nfs/dbraw/zinc/86/63/59/369866359.db2.gz LHTHDIVDTBOJMX-RISCZKNCSA-N 2 1 285.457 2.091 20 0 CEADMP COC[C@H](C)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918916 369871905 /nfs/dbraw/zinc/87/19/05/369871905.db2.gz IGJANPYEOWQLNG-NVXWUHKLSA-N 2 1 276.424 2.381 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C2(CCO)CCCCC2)s1 ZINC000352761662 369872496 /nfs/dbraw/zinc/87/24/96/369872496.db2.gz CYLFSHMWIGFIIQ-UHFFFAOYSA-N 2 1 297.468 2.380 20 0 CEADMP C[NH+](C)CCSCC[N@@H+](C)Cc1ccccc1 ZINC000193637092 369964782 /nfs/dbraw/zinc/96/47/82/369964782.db2.gz OPRYVGPIPXCZLS-UHFFFAOYSA-N 2 1 252.427 2.413 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000352913342 369946266 /nfs/dbraw/zinc/94/62/66/369946266.db2.gz HBIDSBYRNSCRMA-ZUEPYMLJSA-N 2 1 294.826 2.242 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000352913342 369946271 /nfs/dbraw/zinc/94/62/71/369946271.db2.gz HBIDSBYRNSCRMA-ZUEPYMLJSA-N 2 1 294.826 2.242 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000353124229 370028681 /nfs/dbraw/zinc/02/86/81/370028681.db2.gz YSAMWZDFBGCQLL-ZJIFWQFVSA-N 2 1 296.455 2.428 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000353124229 370028683 /nfs/dbraw/zinc/02/86/83/370028683.db2.gz YSAMWZDFBGCQLL-ZJIFWQFVSA-N 2 1 296.455 2.428 20 0 CEADMP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000637808966 370079756 /nfs/dbraw/zinc/07/97/56/370079756.db2.gz NULJYWRSULYPQR-HNNXBMFYSA-N 2 1 275.396 2.219 20 0 CEADMP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000637808966 370079761 /nfs/dbraw/zinc/07/97/61/370079761.db2.gz NULJYWRSULYPQR-HNNXBMFYSA-N 2 1 275.396 2.219 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000353994891 370170395 /nfs/dbraw/zinc/17/03/95/370170395.db2.gz DNMALISJSNPRDV-GDBMZVCRSA-N 2 1 291.439 2.485 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000353994891 370170402 /nfs/dbraw/zinc/17/04/02/370170402.db2.gz DNMALISJSNPRDV-GDBMZVCRSA-N 2 1 291.439 2.485 20 0 CEADMP COc1ncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000637906731 370162278 /nfs/dbraw/zinc/16/22/78/370162278.db2.gz XPWDHJHVRBCALE-UHFFFAOYSA-N 2 1 295.452 2.460 20 0 CEADMP CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@H]1CCCO1 ZINC000211934530 370164540 /nfs/dbraw/zinc/16/45/40/370164540.db2.gz HRAVDHJLMUDMPP-QGZVFWFLSA-N 2 1 274.408 2.333 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000221857894 370246595 /nfs/dbraw/zinc/24/65/95/370246595.db2.gz UQEJMLABWKREAT-BYCMXARLSA-N 2 1 282.815 2.446 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CCc2ccccn2)C[C@@H]1C ZINC000354221900 370266996 /nfs/dbraw/zinc/26/69/96/370266996.db2.gz HQIMOENURBCHOD-GOEBONIOSA-N 2 1 261.413 2.429 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccccn2)C[C@@H]1C ZINC000354221900 370267002 /nfs/dbraw/zinc/26/70/02/370267002.db2.gz HQIMOENURBCHOD-GOEBONIOSA-N 2 1 261.413 2.429 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccccn2)C[C@@H]1C ZINC000354221900 370267006 /nfs/dbraw/zinc/26/70/06/370267006.db2.gz HQIMOENURBCHOD-GOEBONIOSA-N 2 1 261.413 2.429 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)C3=CC[C@H]([NH3+])C3)c2C1 ZINC000638089128 370290828 /nfs/dbraw/zinc/29/08/28/370290828.db2.gz NVATVDBTGMWXPK-AWEZNQCLSA-N 2 1 285.391 2.398 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)CCC3C[NH2+]C3)c2C1 ZINC000638090498 370292133 /nfs/dbraw/zinc/29/21/33/370292133.db2.gz XMRISVPMSHDVOH-UHFFFAOYSA-N 2 1 287.407 2.350 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)CCC3C[NH2+]C3)c2C1 ZINC000638090498 370292138 /nfs/dbraw/zinc/29/21/38/370292138.db2.gz XMRISVPMSHDVOH-UHFFFAOYSA-N 2 1 287.407 2.350 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@](C)(OC)C2CC2)C1 ZINC000638128285 370323275 /nfs/dbraw/zinc/32/32/75/370323275.db2.gz SDJDASRIHUIFNW-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@](C)(OC)C2CC2)C1 ZINC000638128285 370323277 /nfs/dbraw/zinc/32/32/77/370323277.db2.gz SDJDASRIHUIFNW-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@](C)(OC)C2CC2)C1 ZINC000638128285 370323281 /nfs/dbraw/zinc/32/32/81/370323281.db2.gz SDJDASRIHUIFNW-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC1CCSCC1 ZINC000638184209 370362838 /nfs/dbraw/zinc/36/28/38/370362838.db2.gz XZCMOWSVMJXSTE-OWCLPIDISA-N 2 1 298.496 2.313 20 0 CEADMP C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000226435604 370342131 /nfs/dbraw/zinc/34/21/31/370342131.db2.gz WAKUHXPLXUYIAA-GFCCVEGCSA-N 2 1 254.324 2.396 20 0 CEADMP C[N@H+](Cc1ccc(F)c(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000226435604 370342133 /nfs/dbraw/zinc/34/21/33/370342133.db2.gz WAKUHXPLXUYIAA-GFCCVEGCSA-N 2 1 254.324 2.396 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(O)c3)CC[C@H]21 ZINC000228183563 370398584 /nfs/dbraw/zinc/39/85/84/370398584.db2.gz TVUBQAKTWMDRJZ-GOEBONIOSA-N 2 1 260.381 2.308 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(O)c3)CC[C@H]21 ZINC000228183563 370398590 /nfs/dbraw/zinc/39/85/90/370398590.db2.gz TVUBQAKTWMDRJZ-GOEBONIOSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(O)c3)CC[C@H]21 ZINC000228183563 370398596 /nfs/dbraw/zinc/39/85/96/370398596.db2.gz TVUBQAKTWMDRJZ-GOEBONIOSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(O)c3)CC[C@H]21 ZINC000228183563 370398601 /nfs/dbraw/zinc/39/86/01/370398601.db2.gz TVUBQAKTWMDRJZ-GOEBONIOSA-N 2 1 260.381 2.308 20 0 CEADMP Cc1ccc2[nH+]ccc(NCC[N@H+]3CCOC(C)(C)C3)c2c1 ZINC000354525942 370399635 /nfs/dbraw/zinc/39/96/35/370399635.db2.gz JJASQCPGEZKASV-UHFFFAOYSA-N 2 1 299.418 2.488 20 0 CEADMP Cn1c2ccccc2nc1NCCN1CCSCC1 ZINC000230467284 370460459 /nfs/dbraw/zinc/46/04/59/370460459.db2.gz RRWZMXFYRRTZNT-UHFFFAOYSA-N 2 1 276.409 2.034 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000638370520 370479197 /nfs/dbraw/zinc/47/91/97/370479197.db2.gz ZKKOSXBFQIKADU-BZSNNMDCSA-N 2 1 288.435 2.461 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC000638370520 370479203 /nfs/dbraw/zinc/47/92/03/370479203.db2.gz ZKKOSXBFQIKADU-BZSNNMDCSA-N 2 1 288.435 2.461 20 0 CEADMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)C(C)C)[NH+]1CCCCC1 ZINC000354701637 370471491 /nfs/dbraw/zinc/47/14/91/370471491.db2.gz XKRBSKZMHCLVIW-MRXNPFEDSA-N 2 1 297.487 2.343 20 0 CEADMP CO[C@@H](C[NH2+]CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000638384859 370489783 /nfs/dbraw/zinc/48/97/83/370489783.db2.gz CRENBRRWYDHXQR-QGZVFWFLSA-N 2 1 287.407 2.429 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)OC ZINC000638557808 370605090 /nfs/dbraw/zinc/60/50/90/370605090.db2.gz SIOLDBREVMZMRE-JKSUJKDBSA-N 2 1 298.471 2.282 20 0 CEADMP CO[C@@H](C[NH2+][C@H]1CCc2[nH+]ccn2C1)Cc1ccccc1 ZINC000638495048 370571115 /nfs/dbraw/zinc/57/11/15/370571115.db2.gz DWBMQVGDWGYFQA-JKSUJKDBSA-N 2 1 285.391 2.045 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC(C)(C)[NH3+])c2C1 ZINC000236788772 370626768 /nfs/dbraw/zinc/62/67/68/370626768.db2.gz IMESCCRPBYRSCL-UHFFFAOYSA-N 2 1 275.396 2.478 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)CC(C)(C)[NH3+])c2C1 ZINC000236788772 370626770 /nfs/dbraw/zinc/62/67/70/370626770.db2.gz IMESCCRPBYRSCL-UHFFFAOYSA-N 2 1 275.396 2.478 20 0 CEADMP Cc1ccc(CC[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000638618110 370638969 /nfs/dbraw/zinc/63/89/69/370638969.db2.gz DPPVANBPEWFIKA-SFHVURJKSA-N 2 1 290.451 2.364 20 0 CEADMP C[C@H](CC(=O)NCC[N@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000246731644 371001489 /nfs/dbraw/zinc/00/14/89/371001489.db2.gz YJJZFSIKSVPLPR-OAGGEKHMSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccnc1 ZINC000358301662 371002336 /nfs/dbraw/zinc/00/23/36/371002336.db2.gz OVUDCVSASLXNES-IAOVAPTHSA-N 2 1 289.423 2.110 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000246771903 371007081 /nfs/dbraw/zinc/00/70/81/371007081.db2.gz BHJDVDNRWWZANH-TUVASFSCSA-N 2 1 266.429 2.121 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(CO)cc1 ZINC000639175781 371050824 /nfs/dbraw/zinc/05/08/24/371050824.db2.gz SSAHUWORFQRXJC-UHFFFAOYSA-N 2 1 264.413 2.343 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000358344190 371025036 /nfs/dbraw/zinc/02/50/36/371025036.db2.gz VILMNTMWOJTQFZ-BRWVUGGUSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000358344190 371025039 /nfs/dbraw/zinc/02/50/39/371025039.db2.gz VILMNTMWOJTQFZ-BRWVUGGUSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000358344190 371025041 /nfs/dbraw/zinc/02/50/41/371025041.db2.gz VILMNTMWOJTQFZ-BRWVUGGUSA-N 2 1 281.488 2.427 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)OC ZINC000639170322 371042657 /nfs/dbraw/zinc/04/26/57/371042657.db2.gz SVDHYBJDZHICES-ZNMIVQPWSA-N 2 1 256.434 2.367 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC2CCSCC2)C1 ZINC000639170523 371043033 /nfs/dbraw/zinc/04/30/33/371043033.db2.gz UFIPLRWDHDXXIP-AWEZNQCLSA-N 2 1 256.459 2.450 20 0 CEADMP Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358405638 371052543 /nfs/dbraw/zinc/05/25/43/371052543.db2.gz RFYQAMXOZAASNB-MCIONIFRSA-N 2 1 280.437 2.306 20 0 CEADMP Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358405638 371052552 /nfs/dbraw/zinc/05/25/52/371052552.db2.gz RFYQAMXOZAASNB-MCIONIFRSA-N 2 1 280.437 2.306 20 0 CEADMP COCC1(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)CCC1 ZINC000639177807 371056180 /nfs/dbraw/zinc/05/61/80/371056180.db2.gz GYIZUAQHYUSCKC-CABCVRRESA-N 2 1 266.429 2.219 20 0 CEADMP CCC[C@H](C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21)OC ZINC000639177290 371056453 /nfs/dbraw/zinc/05/64/53/371056453.db2.gz CFOXIKUQOXMMMK-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@H](C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21)OC ZINC000639177290 371056459 /nfs/dbraw/zinc/05/64/59/371056459.db2.gz CFOXIKUQOXMMMK-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@H](C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21)OC ZINC000639177290 371056463 /nfs/dbraw/zinc/05/64/63/371056463.db2.gz CFOXIKUQOXMMMK-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000639180750 371059924 /nfs/dbraw/zinc/05/99/24/371059924.db2.gz XYENJCIEKWXJSZ-CXAGYDPISA-N 2 1 284.407 2.402 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2nccnc2c1 ZINC000639180750 371059937 /nfs/dbraw/zinc/05/99/37/371059937.db2.gz XYENJCIEKWXJSZ-CXAGYDPISA-N 2 1 284.407 2.402 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000639180750 371059940 /nfs/dbraw/zinc/05/99/40/371059940.db2.gz XYENJCIEKWXJSZ-CXAGYDPISA-N 2 1 284.407 2.402 20 0 CEADMP CO[C@H](C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)C1CCCC1 ZINC000639179409 371060771 /nfs/dbraw/zinc/06/07/71/371060771.db2.gz SRHQCGJVOFJGFO-VNQPRFMTSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)C1CCCC1 ZINC000639179409 371060772 /nfs/dbraw/zinc/06/07/72/371060772.db2.gz SRHQCGJVOFJGFO-VNQPRFMTSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C)C1CCCC1 ZINC000639179409 371060777 /nfs/dbraw/zinc/06/07/77/371060777.db2.gz SRHQCGJVOFJGFO-VNQPRFMTSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C)C1CCCC1 ZINC000639179409 371060783 /nfs/dbraw/zinc/06/07/83/371060783.db2.gz SRHQCGJVOFJGFO-VNQPRFMTSA-N 2 1 268.445 2.464 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2cccc(OC)n2)[C@@H](C)C1 ZINC000247243824 371082553 /nfs/dbraw/zinc/08/25/53/371082553.db2.gz TZJAAYVLRHVCKX-ZFWWWQNUSA-N 2 1 277.412 2.252 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247940354 371148141 /nfs/dbraw/zinc/14/81/41/371148141.db2.gz CYGSOQXVSSHILW-STQMWFEESA-N 2 1 270.417 2.038 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247966239 371150885 /nfs/dbraw/zinc/15/08/85/371150885.db2.gz GVAQMGBIUNBPLR-KWCYVHTRSA-N 2 1 290.411 2.424 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](COC)C2CC2)[C@@H](C)C1 ZINC000247986912 371154088 /nfs/dbraw/zinc/15/40/88/371154088.db2.gz IWVJMEWTAVLSQX-XIRDDKMYSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3nccs3)CC2)CC[N@@H+]1C ZINC000358648340 371155029 /nfs/dbraw/zinc/15/50/29/371155029.db2.gz IMSHFDABIWWQDA-TZMCWYRMSA-N 2 1 294.468 2.184 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3nccs3)CC2)CC[N@H+]1C ZINC000358648340 371155031 /nfs/dbraw/zinc/15/50/31/371155031.db2.gz IMSHFDABIWWQDA-TZMCWYRMSA-N 2 1 294.468 2.184 20 0 CEADMP CCOC1CC(C[NH2+]CCC[N@@H+](C)CC(C)C)C1 ZINC000639289923 371192228 /nfs/dbraw/zinc/19/22/28/371192228.db2.gz OQOSXHZTZKFWCG-UHFFFAOYSA-N 2 1 256.434 2.369 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358744460 371201409 /nfs/dbraw/zinc/20/14/09/371201409.db2.gz QTXMZGRLVOSVEJ-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000248878426 371260924 /nfs/dbraw/zinc/26/09/24/371260924.db2.gz KBEZUWIAHWNYGC-XYTVBORESA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248878426 371260929 /nfs/dbraw/zinc/26/09/29/371260929.db2.gz KBEZUWIAHWNYGC-XYTVBORESA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248878426 371260934 /nfs/dbraw/zinc/26/09/34/371260934.db2.gz KBEZUWIAHWNYGC-XYTVBORESA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000248878426 371260942 /nfs/dbraw/zinc/26/09/42/371260942.db2.gz KBEZUWIAHWNYGC-XYTVBORESA-N 3 1 279.472 2.322 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000248878426 371260946 /nfs/dbraw/zinc/26/09/46/371260946.db2.gz KBEZUWIAHWNYGC-XYTVBORESA-N 3 1 279.472 2.322 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248878426 371260951 /nfs/dbraw/zinc/26/09/51/371260951.db2.gz KBEZUWIAHWNYGC-XYTVBORESA-N 3 1 279.472 2.322 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248878426 371260958 /nfs/dbraw/zinc/26/09/58/371260958.db2.gz KBEZUWIAHWNYGC-XYTVBORESA-N 3 1 279.472 2.322 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCC[C@@H](C)C1 ZINC000248761819 371242528 /nfs/dbraw/zinc/24/25/28/371242528.db2.gz DSMSPIDSDTZODA-OZSLIKBDSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+]1CCC[C@@H](C)C1 ZINC000248761819 371242532 /nfs/dbraw/zinc/24/25/32/371242532.db2.gz DSMSPIDSDTZODA-OZSLIKBDSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+]1CCC[C@@H](C)C1 ZINC000248761819 371242533 /nfs/dbraw/zinc/24/25/33/371242533.db2.gz DSMSPIDSDTZODA-OZSLIKBDSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248763019 371243361 /nfs/dbraw/zinc/24/33/61/371243361.db2.gz DVVIEKCCAXGKPX-QUHHJHJSSA-N 2 1 265.445 2.074 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248763019 371243369 /nfs/dbraw/zinc/24/33/69/371243369.db2.gz DVVIEKCCAXGKPX-QUHHJHJSSA-N 3 1 265.445 2.074 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248763019 371243377 /nfs/dbraw/zinc/24/33/77/371243377.db2.gz DVVIEKCCAXGKPX-QUHHJHJSSA-N 3 1 265.445 2.074 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2cccc(C)c2)[C@H](C)C1 ZINC000248810866 371248492 /nfs/dbraw/zinc/24/84/92/371248492.db2.gz HPGXSPCUSJQPMS-NXHRZFHOSA-N 2 1 290.451 2.218 20 0 CEADMP CC[N@@H+](CCNc1cc[nH+]cc1C)CCC(F)(F)F ZINC000358913699 371264776 /nfs/dbraw/zinc/26/47/76/371264776.db2.gz FIFAUKKOOGIQMU-UHFFFAOYSA-N 2 1 275.318 2.498 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000248944333 371271288 /nfs/dbraw/zinc/27/12/88/371271288.db2.gz CBIVJUMGVOAYKJ-HOTGVXAUSA-N 2 1 278.444 2.498 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000248944333 371271291 /nfs/dbraw/zinc/27/12/91/371271291.db2.gz CBIVJUMGVOAYKJ-HOTGVXAUSA-N 2 1 278.444 2.498 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CC2CCCC2)CC[N@@H+]1C ZINC000249136843 371300736 /nfs/dbraw/zinc/30/07/36/371300736.db2.gz VOTIRIPTPOZUJX-BMFZPTHFSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CC2CCCC2)CC[N@H+]1C ZINC000249136843 371300740 /nfs/dbraw/zinc/30/07/40/371300740.db2.gz VOTIRIPTPOZUJX-BMFZPTHFSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CC2CCCC2)CC[NH+]1C ZINC000249136843 371300744 /nfs/dbraw/zinc/30/07/44/371300744.db2.gz VOTIRIPTPOZUJX-BMFZPTHFSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)CC2CCCC2)CC[NH+]1C ZINC000249136843 371300750 /nfs/dbraw/zinc/30/07/50/371300750.db2.gz VOTIRIPTPOZUJX-BMFZPTHFSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](C)[NH+](CC)CC)C1(C(=O)OC)CCC1 ZINC000359026752 371306574 /nfs/dbraw/zinc/30/65/74/371306574.db2.gz FELVTSRMIOFSIY-KGLIPLIRSA-N 2 1 284.444 2.428 20 0 CEADMP C[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000249279172 371309847 /nfs/dbraw/zinc/30/98/47/371309847.db2.gz MYUQDEZGABCTOG-VYDXJSESSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000249279172 371309850 /nfs/dbraw/zinc/30/98/50/371309850.db2.gz MYUQDEZGABCTOG-VYDXJSESSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000249279172 371309852 /nfs/dbraw/zinc/30/98/52/371309852.db2.gz MYUQDEZGABCTOG-VYDXJSESSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000249279172 371309855 /nfs/dbraw/zinc/30/98/55/371309855.db2.gz MYUQDEZGABCTOG-VYDXJSESSA-N 2 1 276.424 2.352 20 0 CEADMP CC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000639450940 371331661 /nfs/dbraw/zinc/33/16/61/371331661.db2.gz FMYSNNFBMNMSFD-UHFFFAOYSA-N 2 1 252.402 2.163 20 0 CEADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000639457515 371335312 /nfs/dbraw/zinc/33/53/12/371335312.db2.gz ULTHRFPCDXTUMJ-GASCZTMLSA-N 2 1 283.375 2.301 20 0 CEADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000639457515 371335314 /nfs/dbraw/zinc/33/53/14/371335314.db2.gz ULTHRFPCDXTUMJ-GASCZTMLSA-N 2 1 283.375 2.301 20 0 CEADMP C[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])C[NH+]1CCCCC1 ZINC000251155133 371397468 /nfs/dbraw/zinc/39/74/68/371397468.db2.gz YVDXLJCYAPMRMZ-PMPSAXMXSA-N 2 1 267.461 2.216 20 0 CEADMP CCC[C@H](C)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000251368596 371400611 /nfs/dbraw/zinc/40/06/11/371400611.db2.gz UDSVNLVZEQYMIJ-BPUTZDHNSA-N 2 1 264.413 2.038 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000639505001 371369588 /nfs/dbraw/zinc/36/95/88/371369588.db2.gz PGARCVCTLANILD-SOUVJXGZSA-N 2 1 254.418 2.075 20 0 CEADMP Cc1cnn([C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000359191938 371369707 /nfs/dbraw/zinc/36/97/07/371369707.db2.gz PBTSHHKORKYHQU-MRXNPFEDSA-N 2 1 276.428 2.218 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639511622 371374655 /nfs/dbraw/zinc/37/46/55/371374655.db2.gz QJOIRFLUELTQEI-KBPBESRZSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000359765760 371484003 /nfs/dbraw/zinc/48/40/03/371484003.db2.gz HPCNLGQFSLNMDA-MAUKXSAKSA-N 2 1 298.434 2.361 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000359333438 371433120 /nfs/dbraw/zinc/43/31/20/371433120.db2.gz QIRHHWPRFJQRME-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CC(C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000252433296 371436668 /nfs/dbraw/zinc/43/66/68/371436668.db2.gz KTUDBGONYQKORG-KRWDZBQOSA-N 2 1 275.440 2.363 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000359369391 371450397 /nfs/dbraw/zinc/45/03/97/371450397.db2.gz JDLUNNBBTVSCDO-BPQIPLTHSA-N 2 1 289.467 2.089 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](Cc1ccccc1)N(C)C ZINC000359369391 371450405 /nfs/dbraw/zinc/45/04/05/371450405.db2.gz JDLUNNBBTVSCDO-BPQIPLTHSA-N 2 1 289.467 2.089 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](Cc1ccccc1)N(C)C ZINC000359369391 371450416 /nfs/dbraw/zinc/45/04/16/371450416.db2.gz JDLUNNBBTVSCDO-BPQIPLTHSA-N 2 1 289.467 2.089 20 0 CEADMP Fc1cc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1Cl ZINC000252667492 371464671 /nfs/dbraw/zinc/46/46/71/371464671.db2.gz KNXCTNGDKFYDQV-STQMWFEESA-N 2 1 298.789 2.432 20 0 CEADMP Fc1cc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)ccc1Cl ZINC000252667492 371464678 /nfs/dbraw/zinc/46/46/78/371464678.db2.gz KNXCTNGDKFYDQV-STQMWFEESA-N 2 1 298.789 2.432 20 0 CEADMP c1cc(N2CCC[N@H+](CC[C@@H]3CCCO3)CC2)cc[nH+]1 ZINC000639682836 371491096 /nfs/dbraw/zinc/49/10/96/371491096.db2.gz AWIHPQGMXADWFE-INIZCTEOSA-N 2 1 275.396 2.163 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C12CCC2 ZINC000252714077 371472976 /nfs/dbraw/zinc/47/29/76/371472976.db2.gz QYRJQWGBMMERRN-CBBWQLFWSA-N 2 1 266.429 2.264 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C12CCC2 ZINC000252714077 371472984 /nfs/dbraw/zinc/47/29/84/371472984.db2.gz QYRJQWGBMMERRN-CBBWQLFWSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682375 371491412 /nfs/dbraw/zinc/49/14/12/371491412.db2.gz VGSVUGSZKCUBOZ-UHFFFAOYSA-N 2 1 286.379 2.399 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252842125 371482567 /nfs/dbraw/zinc/48/25/67/371482567.db2.gz CLDYRHCQKVBEPV-HRCADAONSA-N 2 1 288.391 2.032 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000253359195 371509693 /nfs/dbraw/zinc/50/96/93/371509693.db2.gz GRLCZBNEIZEAJV-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000360588774 371519730 /nfs/dbraw/zinc/51/97/30/371519730.db2.gz MANPOHXWXAVOJA-DMRKSPOLSA-N 2 1 281.488 2.283 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000360588774 371519736 /nfs/dbraw/zinc/51/97/36/371519736.db2.gz MANPOHXWXAVOJA-DMRKSPOLSA-N 2 1 281.488 2.283 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000360588774 371519739 /nfs/dbraw/zinc/51/97/39/371519739.db2.gz MANPOHXWXAVOJA-DMRKSPOLSA-N 2 1 281.488 2.283 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(N)c3)C2)CC1 ZINC000639756614 371546702 /nfs/dbraw/zinc/54/67/02/371546702.db2.gz YUJJIVNGGIJWDU-UHFFFAOYSA-N 2 1 259.397 2.187 20 0 CEADMP Cc1cccc(CC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639755853 371546767 /nfs/dbraw/zinc/54/67/67/371546767.db2.gz OUQPNMITUOVMQL-UHFFFAOYSA-N 2 1 273.424 2.350 20 0 CEADMP CCc1nnc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)s1 ZINC000639757545 371547114 /nfs/dbraw/zinc/54/71/14/371547114.db2.gz LUSNHUDGEXMROF-UHFFFAOYSA-N 2 1 280.441 2.018 20 0 CEADMP CCc1nnc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)s1 ZINC000639757545 371547117 /nfs/dbraw/zinc/54/71/17/371547117.db2.gz LUSNHUDGEXMROF-UHFFFAOYSA-N 2 1 280.441 2.018 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000639761333 371547891 /nfs/dbraw/zinc/54/78/91/371547891.db2.gz AMVKXHKHKYBHPX-SFHVURJKSA-N 2 1 290.451 2.316 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)CC1 ZINC000639757847 371548543 /nfs/dbraw/zinc/54/85/43/371548543.db2.gz PZVCDYAZIBQOMF-UHFFFAOYSA-N 3 1 279.472 2.280 20 0 CEADMP C[NH+]1CCC2(CC[N@H+](CCCN3CCCCC3)C2)CC1 ZINC000639757847 371548550 /nfs/dbraw/zinc/54/85/50/371548550.db2.gz PZVCDYAZIBQOMF-UHFFFAOYSA-N 2 1 279.472 2.280 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCCN3CCCCC3)C2)CC1 ZINC000639757847 371548558 /nfs/dbraw/zinc/54/85/58/371548558.db2.gz PZVCDYAZIBQOMF-UHFFFAOYSA-N 2 1 279.472 2.280 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000639763383 371551081 /nfs/dbraw/zinc/55/10/81/371551081.db2.gz RGKOGQNECVDLQR-ZWKOTPCHSA-N 2 1 288.435 2.453 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCc2ccccc2)C1 ZINC000639765283 371552930 /nfs/dbraw/zinc/55/29/30/371552930.db2.gz XYVFFYFQLQMOBG-KRWDZBQOSA-N 2 1 276.424 2.008 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(F)(F)F ZINC000359976663 371495976 /nfs/dbraw/zinc/49/59/76/371495976.db2.gz PEIWYXUWZFZPQJ-OUAUKWLOSA-N 2 1 250.308 2.401 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC(C)C ZINC000360958969 371563209 /nfs/dbraw/zinc/56/32/09/371563209.db2.gz UMVUETOOZIVHQI-CVEARBPZSA-N 2 1 297.487 2.249 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000258815660 371618801 /nfs/dbraw/zinc/61/88/01/371618801.db2.gz CSTJSVMRMFDWLJ-RYUDHWBXSA-N 2 1 269.186 2.419 20 0 CEADMP CCOc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261594381 371668858 /nfs/dbraw/zinc/66/88/58/371668858.db2.gz NNZIJGINPRHYKX-MRXNPFEDSA-N 2 1 260.381 2.271 20 0 CEADMP CCOc1ccccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261594381 371668867 /nfs/dbraw/zinc/66/88/67/371668867.db2.gz NNZIJGINPRHYKX-MRXNPFEDSA-N 2 1 260.381 2.271 20 0 CEADMP COc1cccc([C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261593695 371669361 /nfs/dbraw/zinc/66/93/61/371669361.db2.gz NBXIIFPMZLTQPN-AEGPPILISA-N 2 1 260.381 2.298 20 0 CEADMP CSc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261560725 371648119 /nfs/dbraw/zinc/64/81/19/371648119.db2.gz FMDKLJMEVBEGTR-UONOGXRCSA-N 2 1 262.422 2.450 20 0 CEADMP CSc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261560725 371648125 /nfs/dbraw/zinc/64/81/25/371648125.db2.gz FMDKLJMEVBEGTR-UONOGXRCSA-N 2 1 262.422 2.450 20 0 CEADMP COCc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261573960 371655503 /nfs/dbraw/zinc/65/55/03/371655503.db2.gz AXIREKMDAXELDB-HOTGVXAUSA-N 2 1 260.381 2.017 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261573960 371655508 /nfs/dbraw/zinc/65/55/08/371655508.db2.gz AXIREKMDAXELDB-HOTGVXAUSA-N 2 1 260.381 2.017 20 0 CEADMP COCc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261573957 371655956 /nfs/dbraw/zinc/65/59/56/371655956.db2.gz AXIREKMDAXELDB-CVEARBPZSA-N 2 1 260.381 2.017 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261573957 371655964 /nfs/dbraw/zinc/65/59/64/371655964.db2.gz AXIREKMDAXELDB-CVEARBPZSA-N 2 1 260.381 2.017 20 0 CEADMP Clc1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261583960 371662499 /nfs/dbraw/zinc/66/24/99/371662499.db2.gz HOQJHUYNRREWAO-QWHCGFSZSA-N 2 1 280.799 2.260 20 0 CEADMP Clc1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261583960 371662509 /nfs/dbraw/zinc/66/25/09/371662509.db2.gz HOQJHUYNRREWAO-QWHCGFSZSA-N 2 1 280.799 2.260 20 0 CEADMP CC[N@H+](C[C@H]1COc2ccccc2O1)C[C@]1(C)CC[NH2+]C1 ZINC000261703813 371707546 /nfs/dbraw/zinc/70/75/46/371707546.db2.gz CVZKKKXMVAVQHY-WMLDXEAASA-N 2 1 290.407 2.148 20 0 CEADMP CC[N@@H+](C[C@H]1COc2ccccc2O1)C[C@]1(C)CC[NH2+]C1 ZINC000261703813 371707549 /nfs/dbraw/zinc/70/75/49/371707549.db2.gz CVZKKKXMVAVQHY-WMLDXEAASA-N 2 1 290.407 2.148 20 0 CEADMP CC[C@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)OC ZINC000639983849 371712629 /nfs/dbraw/zinc/71/26/29/371712629.db2.gz MSLDLGSXYLAHAV-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP CCCNC(=O)CCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984174 371713162 /nfs/dbraw/zinc/71/31/62/371713162.db2.gz RIMQAUOGUYWBEX-UHFFFAOYSA-N 2 1 295.471 2.243 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](CCn2ccnc2)CC1 ZINC000639987044 371715458 /nfs/dbraw/zinc/71/54/58/371715458.db2.gz VFMOLLQPYZJTAI-UHFFFAOYSA-N 2 1 276.428 2.224 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1C ZINC000261739175 371715677 /nfs/dbraw/zinc/71/56/77/371715677.db2.gz KICAONPQADHRKZ-HNNXBMFYSA-N 2 1 264.417 2.081 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1C ZINC000261739175 371715684 /nfs/dbraw/zinc/71/56/84/371715684.db2.gz KICAONPQADHRKZ-HNNXBMFYSA-N 2 1 264.417 2.081 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](CC[C@H](C)O)CC1 ZINC000639987131 371716391 /nfs/dbraw/zinc/71/63/91/371716391.db2.gz XDMOZPODBLWVHV-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP COc1ccc2nc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)sc2c1 ZINC000261764351 371724700 /nfs/dbraw/zinc/72/47/00/371724700.db2.gz DEKBVWYUMNNQFT-GHMZBOCLSA-N 2 1 291.420 2.474 20 0 CEADMP COc1ccc2nc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)sc2c1 ZINC000261764351 371724707 /nfs/dbraw/zinc/72/47/07/371724707.db2.gz DEKBVWYUMNNQFT-GHMZBOCLSA-N 2 1 291.420 2.474 20 0 CEADMP FC(F)c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000261800968 371735905 /nfs/dbraw/zinc/73/59/05/371735905.db2.gz YSICKBSVGHKVOT-HNNXBMFYSA-N 2 1 295.377 2.104 20 0 CEADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H](C[NH3+])C3)s2)cn1 ZINC000261993925 371791594 /nfs/dbraw/zinc/79/15/94/371791594.db2.gz SPFYHEGSZWPLJG-GFCCVEGCSA-N 2 1 290.436 2.319 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000261860809 371753377 /nfs/dbraw/zinc/75/33/77/371753377.db2.gz SGHLACBTWXPKFC-CQSZACIVSA-N 2 1 276.409 2.309 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000261860809 371753384 /nfs/dbraw/zinc/75/33/84/371753384.db2.gz SGHLACBTWXPKFC-CQSZACIVSA-N 2 1 276.409 2.309 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000361299063 371767097 /nfs/dbraw/zinc/76/70/97/371767097.db2.gz GTZYFUKNLUFMGM-DLBZAZTESA-N 2 1 282.472 2.447 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000261949704 371781302 /nfs/dbraw/zinc/78/13/02/371781302.db2.gz NSHUBCFMJJPJDT-JTQLQIEISA-N 2 1 251.399 2.191 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000261949704 371781309 /nfs/dbraw/zinc/78/13/09/371781309.db2.gz NSHUBCFMJJPJDT-JTQLQIEISA-N 2 1 251.399 2.191 20 0 CEADMP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000261950810 371782611 /nfs/dbraw/zinc/78/26/11/371782611.db2.gz NYYFGKOEYLMPRT-HOCLYGCPSA-N 2 1 266.429 2.267 20 0 CEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000261950810 371782619 /nfs/dbraw/zinc/78/26/19/371782619.db2.gz NYYFGKOEYLMPRT-HOCLYGCPSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cn1 ZINC000261954992 371783420 /nfs/dbraw/zinc/78/34/20/371783420.db2.gz OMYYCMRVRNMPHK-HIFRSBDPSA-N 2 1 276.428 2.095 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cn1 ZINC000261954992 371783426 /nfs/dbraw/zinc/78/34/26/371783426.db2.gz OMYYCMRVRNMPHK-HIFRSBDPSA-N 2 1 276.428 2.095 20 0 CEADMP COc1cc2c(cc1F)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000261962604 371786351 /nfs/dbraw/zinc/78/63/51/371786351.db2.gz PKDSKGDBSOKKLA-UHFFFAOYSA-N 2 1 278.371 2.192 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000261962729 371786824 /nfs/dbraw/zinc/78/68/24/371786824.db2.gz PLQQQDJVFVNDHT-CQSZACIVSA-N 2 1 276.428 2.099 20 0 CEADMP CC[N@@H+](CCc1nccs1)C[C@]1(C)CC[NH2+]C1 ZINC000261970984 371786855 /nfs/dbraw/zinc/78/68/55/371786855.db2.gz IFJDWMFRJPPTTJ-CYBMUJFWSA-N 2 1 253.415 2.007 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)C2(C(=O)OC)CCC2)C1 ZINC000353338037 220033205 /nfs/dbraw/zinc/03/32/05/220033205.db2.gz REPCHSCJVRJOLX-HUUCEWRRSA-N 2 1 296.455 2.430 20 0 CEADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4CC[NH2+]CC4)C[C@H]3C2)cc1 ZINC000261981166 371788668 /nfs/dbraw/zinc/78/86/68/371788668.db2.gz RKUZJMFFWVEUCP-KDURUIRLSA-N 3 1 299.462 2.050 20 0 CEADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4CC[NH2+]CC4)C[C@H]3C2)cc1 ZINC000261981166 371788673 /nfs/dbraw/zinc/78/86/73/371788673.db2.gz RKUZJMFFWVEUCP-KDURUIRLSA-N 3 1 299.462 2.050 20 0 CEADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CC4CC[NH2+]CC4)C[C@H]3C2)cc1 ZINC000261981166 371788678 /nfs/dbraw/zinc/78/86/78/371788678.db2.gz RKUZJMFFWVEUCP-KDURUIRLSA-N 3 1 299.462 2.050 20 0 CEADMP c1ccc(CN2C[C@@H]3C[N@H+](CC4CC[NH2+]CC4)C[C@@H]3C2)cc1 ZINC000261981166 371788680 /nfs/dbraw/zinc/78/86/80/371788680.db2.gz RKUZJMFFWVEUCP-KDURUIRLSA-N 2 1 299.462 2.050 20 0 CEADMP c1ccc(CN2C[C@@H]3C[N@@H+](CC4CC[NH2+]CC4)C[C@@H]3C2)cc1 ZINC000261981166 371788685 /nfs/dbraw/zinc/78/86/85/371788685.db2.gz RKUZJMFFWVEUCP-KDURUIRLSA-N 2 1 299.462 2.050 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000361409637 371833177 /nfs/dbraw/zinc/83/31/77/371833177.db2.gz WYSFNZHIMCVSNK-AWEZNQCLSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C(C)C)[C@H]1CCOC1 ZINC000361409637 371833181 /nfs/dbraw/zinc/83/31/81/371833181.db2.gz WYSFNZHIMCVSNK-AWEZNQCLSA-N 2 1 251.374 2.081 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccn(-c4ccccc4)n3)C[C@@H]21 ZINC000262054449 371814070 /nfs/dbraw/zinc/81/40/70/371814070.db2.gz DGBJTUFRYGJGCE-JCGIZDLHSA-N 2 1 296.418 2.432 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccn(-c4ccccc4)n3)C[C@@H]21 ZINC000262054449 371814076 /nfs/dbraw/zinc/81/40/76/371814076.db2.gz DGBJTUFRYGJGCE-JCGIZDLHSA-N 2 1 296.418 2.432 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)C[C@H]21 ZINC000262095438 371823693 /nfs/dbraw/zinc/82/36/93/371823693.db2.gz IHFUUEICQIYZRH-CGTJXYLNSA-N 2 1 296.418 2.432 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262318749 371851000 /nfs/dbraw/zinc/85/10/00/371851000.db2.gz CJGJKICDLRAEIY-XHSDSOJGSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@@H+](CCCC1CCOCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000361457877 371854809 /nfs/dbraw/zinc/85/48/09/371854809.db2.gz CAESHWUBHMVKTL-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP C[NH+](CCCC1CCOCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000361457877 371854818 /nfs/dbraw/zinc/85/48/18/371854818.db2.gz CAESHWUBHMVKTL-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP C[NH+](CCCC1CCOCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000361457877 371854827 /nfs/dbraw/zinc/85/48/27/371854827.db2.gz CAESHWUBHMVKTL-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)C3C[NH2+]C3)c2C1 ZINC000262365697 371856045 /nfs/dbraw/zinc/85/60/45/371856045.db2.gz LBCVYVKXEMVOMG-GFCCVEGCSA-N 2 1 287.407 2.206 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)C3C[NH2+]C3)c2C1 ZINC000262365697 371856049 /nfs/dbraw/zinc/85/60/49/371856049.db2.gz LBCVYVKXEMVOMG-GFCCVEGCSA-N 2 1 287.407 2.206 20 0 CEADMP COC1(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCC1 ZINC000361554055 371917387 /nfs/dbraw/zinc/91/73/87/371917387.db2.gz RIGLOHVVLFMMQC-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP CCC1(CC)[C@H]([NH2+]CCn2cc[nH+]c2C)C[C@@H]1OC ZINC000344156534 217076640 /nfs/dbraw/zinc/07/66/40/217076640.db2.gz AFMYHTANUJNVLC-KGLIPLIRSA-N 2 1 265.401 2.375 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)N1CCCCC1 ZINC000640530709 372021476 /nfs/dbraw/zinc/02/14/76/372021476.db2.gz HDKPLWKYESDSFA-UHFFFAOYSA-N 2 1 295.471 2.197 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+](C)C ZINC000268729230 372197842 /nfs/dbraw/zinc/19/78/42/372197842.db2.gz SGBRMVQBKRFYSW-FUHWJXTLSA-N 2 1 289.467 2.438 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCO)cc1F ZINC000362288078 372299092 /nfs/dbraw/zinc/29/90/92/372299092.db2.gz PYFBAFWOUMJGKX-NSHDSACASA-N 2 1 277.343 2.353 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000268828295 372243164 /nfs/dbraw/zinc/24/31/64/372243164.db2.gz RISLJSFBLYUQFT-NSHDSACASA-N 2 1 273.336 2.271 20 0 CEADMP COCC[N@@H+](CCCn1ccnc1)[C@H]1CC[C@@H](C)C1 ZINC000362154491 372247706 /nfs/dbraw/zinc/24/77/06/372247706.db2.gz HQELPVMUBMNRJN-CABCVRRESA-N 2 1 265.401 2.410 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC000362230476 372277536 /nfs/dbraw/zinc/27/75/36/372277536.db2.gz NTICCNUEPJIJCN-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000362230476 372277542 /nfs/dbraw/zinc/27/75/42/372277542.db2.gz NTICCNUEPJIJCN-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000362230476 372277544 /nfs/dbraw/zinc/27/75/44/372277544.db2.gz NTICCNUEPJIJCN-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC000683863259 541874039 /nfs/dbraw/zinc/87/40/39/541874039.db2.gz NPJWTPNWBCRJGN-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(n2ccnc2)CC1 ZINC000269137110 372354231 /nfs/dbraw/zinc/35/42/31/372354231.db2.gz UMRPYRRMACISAL-UHFFFAOYSA-N 2 1 273.384 2.115 20 0 CEADMP CC[N@H+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC000683863259 541874043 /nfs/dbraw/zinc/87/40/43/541874043.db2.gz NPJWTPNWBCRJGN-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@](C)([NH3+])c1cn(C[C@@H]2CCCC[N@H+]2C(C)C)nn1 ZINC000641169898 372364417 /nfs/dbraw/zinc/36/44/17/372364417.db2.gz SHAAZBUJGAQWNB-ZFWWWQNUSA-N 2 1 279.432 2.125 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000362942689 372582895 /nfs/dbraw/zinc/58/28/95/372582895.db2.gz QVNNPCGXQIEMDB-KRWDZBQOSA-N 2 1 279.472 2.279 20 0 CEADMP c1c[nH]c([C@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000363478096 372638181 /nfs/dbraw/zinc/63/81/81/372638181.db2.gz GTMPIBXLZZVBQK-AWEZNQCLSA-N 2 1 262.401 2.075 20 0 CEADMP c1c[nH]c([C@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000363478096 372638186 /nfs/dbraw/zinc/63/81/86/372638186.db2.gz GTMPIBXLZZVBQK-AWEZNQCLSA-N 2 1 262.401 2.075 20 0 CEADMP COc1cc(C)nc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000270290331 372731519 /nfs/dbraw/zinc/73/15/19/372731519.db2.gz NHIPVLALCFINJM-HIFRSBDPSA-N 2 1 277.412 2.313 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc(C)ccc1C ZINC000641771887 372713398 /nfs/dbraw/zinc/71/33/98/372713398.db2.gz LXJITJSWAZOWMV-QGZVFWFLSA-N 2 1 278.440 2.486 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1C ZINC000641802264 372745582 /nfs/dbraw/zinc/74/55/82/372745582.db2.gz IPADDIJFBPLLFF-AEGPPILISA-N 2 1 289.423 2.346 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000641802017 372745830 /nfs/dbraw/zinc/74/58/30/372745830.db2.gz XQPFTBFPPWCVLJ-HUUCEWRRSA-N 2 1 282.391 2.359 20 0 CEADMP C[C@H]1CCC(C)(C)[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000641801975 372746171 /nfs/dbraw/zinc/74/61/71/372746171.db2.gz WYALRPNSSSWVHH-BPUTZDHNSA-N 2 1 276.424 2.180 20 0 CEADMP CCN(C(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641803306 372747319 /nfs/dbraw/zinc/74/73/19/372747319.db2.gz BTTYFRCHVYMRKU-CFVMTHIKSA-N 2 1 289.423 2.143 20 0 CEADMP CSc1cccc(NC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641806881 372751836 /nfs/dbraw/zinc/75/18/36/372751836.db2.gz RXEOAQHWRXBTHS-CHWSQXEVSA-N 2 1 293.436 2.062 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccccc1Cl ZINC000641808287 372756327 /nfs/dbraw/zinc/75/63/27/372756327.db2.gz UIPYOYCBSVGAKL-BIMULSAOSA-N 2 1 295.814 2.382 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000641818401 372764308 /nfs/dbraw/zinc/76/43/08/372764308.db2.gz DFIDIBWMRIRGKK-YCPHGPKFSA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000641818401 372764314 /nfs/dbraw/zinc/76/43/14/372764314.db2.gz DFIDIBWMRIRGKK-YCPHGPKFSA-N 2 1 264.413 2.291 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000641797390 372737794 /nfs/dbraw/zinc/73/77/94/372737794.db2.gz BTSDAYHBAPQUHK-CMPLNLGQSA-N 2 1 251.374 2.105 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000641797390 372737801 /nfs/dbraw/zinc/73/78/01/372737801.db2.gz BTSDAYHBAPQUHK-CMPLNLGQSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000641797682 372738316 /nfs/dbraw/zinc/73/83/16/372738316.db2.gz FSPSXOFTGHWIBS-GFCCVEGCSA-N 2 1 251.374 2.106 20 0 CEADMP CCCC[C@@H](COC)[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000364599593 372767316 /nfs/dbraw/zinc/76/73/16/372767316.db2.gz AJPBSLWWCLKEPS-KGLIPLIRSA-N 2 1 265.401 2.240 20 0 CEADMP CC[NH+](CC)CCCNc1cncc(-n2cc[nH+]c2C)n1 ZINC000365272724 372817045 /nfs/dbraw/zinc/81/70/45/372817045.db2.gz YDZCHTISFMTGFI-UHFFFAOYSA-N 2 1 288.399 2.115 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cn3ccccc3n2)[C@H]2CCC[C@@H]21 ZINC000353452472 220091813 /nfs/dbraw/zinc/09/18/13/220091813.db2.gz ZNAWKXMSYJXQLT-PMPSAXMXSA-N 2 1 284.407 2.297 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn3ccccc3n2)[C@H]2CCC[C@@H]21 ZINC000353452472 220091814 /nfs/dbraw/zinc/09/18/14/220091814.db2.gz ZNAWKXMSYJXQLT-PMPSAXMXSA-N 2 1 284.407 2.297 20 0 CEADMP CC[C@@H](C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)OC ZINC000642684813 372860584 /nfs/dbraw/zinc/86/05/84/372860584.db2.gz VQGKINZJBGZDKO-HNNXBMFYSA-N 2 1 256.434 2.464 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000353482280 220107847 /nfs/dbraw/zinc/10/78/47/220107847.db2.gz LTMSPSNKOVZBIH-GJZGRUSLSA-N 2 1 266.433 2.372 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000353482280 220107849 /nfs/dbraw/zinc/10/78/49/220107849.db2.gz LTMSPSNKOVZBIH-GJZGRUSLSA-N 2 1 266.433 2.372 20 0 CEADMP c1cc2[nH+]ccc(N3CC[C@H]4CC[NH2+][C@H]4C3)c2s1 ZINC000643031370 372923165 /nfs/dbraw/zinc/92/31/65/372923165.db2.gz NYKPCKUPZQSVMK-PWSUYJOCSA-N 2 1 259.378 2.485 20 0 CEADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000353526443 220137277 /nfs/dbraw/zinc/13/72/77/220137277.db2.gz AOVWOLHXLHDXAS-XHSDSOJGSA-N 2 1 289.423 2.095 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC2(COC)CCCCC2)CC1 ZINC000353536923 220143307 /nfs/dbraw/zinc/14/33/07/220143307.db2.gz CWTUUKOANUVRIR-UHFFFAOYSA-N 2 1 298.471 2.284 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C1(C(=O)OC)CCC1 ZINC000353543910 220148186 /nfs/dbraw/zinc/14/81/86/220148186.db2.gz QGLLYGCVTPZZDC-CQSZACIVSA-N 2 1 284.444 2.428 20 0 CEADMP c1cnc2c(c1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000643500637 373159839 /nfs/dbraw/zinc/15/98/39/373159839.db2.gz MQOTWXFQSSFRPE-IZGVIRRGSA-N 2 1 257.381 2.332 20 0 CEADMP C([NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000643502657 373161523 /nfs/dbraw/zinc/16/15/23/373161523.db2.gz MWSIUQQIZNBIOA-ZJIFWQFVSA-N 2 1 266.429 2.313 20 0 CEADMP C[C@H]1C[C@H](NCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000643506860 373167309 /nfs/dbraw/zinc/16/73/09/373167309.db2.gz KNKSXAWSZXRFLW-MAUKXSAKSA-N 2 1 287.451 2.381 20 0 CEADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[NH2+]C1CC1 ZINC000643507149 373167476 /nfs/dbraw/zinc/16/74/76/373167476.db2.gz URUMTBZJIASVOZ-AWEZNQCLSA-N 2 1 292.423 2.367 20 0 CEADMP C(C1CC1)[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000643462659 373129575 /nfs/dbraw/zinc/12/95/75/373129575.db2.gz ABCFZMPBIFDPFQ-WNRNVDISSA-N 2 1 291.483 2.371 20 0 CEADMP C(C1CC1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000643462659 373129582 /nfs/dbraw/zinc/12/95/82/373129582.db2.gz ABCFZMPBIFDPFQ-WNRNVDISSA-N 2 1 291.483 2.371 20 0 CEADMP CC[N@@H+](CC(=O)N(CC(C)C)C1CC[NH+](C)CC1)C1CC1 ZINC000362250322 284381903 /nfs/dbraw/zinc/38/19/03/284381903.db2.gz MLCJPFGUZVIVQI-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000643525978 373182653 /nfs/dbraw/zinc/18/26/53/373182653.db2.gz LHTCVERUZGWMBL-BDAKNGLRSA-N 2 1 257.175 2.447 20 0 CEADMP C[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000643529649 373187870 /nfs/dbraw/zinc/18/78/70/373187870.db2.gz JHBHUOJAPAECGJ-DZOHQFGASA-N 2 1 287.451 2.366 20 0 CEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(-n2ccnn2)c1 ZINC000643543501 373202406 /nfs/dbraw/zinc/20/24/06/373202406.db2.gz PERIZZUQHRERKA-GUYCJALGSA-N 2 1 299.422 2.435 20 0 CEADMP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(C)n1 ZINC000643546417 373203509 /nfs/dbraw/zinc/20/35/09/373203509.db2.gz ONOHHQSEKHPZFP-GXTWGEPZSA-N 2 1 274.412 2.419 20 0 CEADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)C2 ZINC000368846417 373275621 /nfs/dbraw/zinc/27/56/21/373275621.db2.gz QQKXIOZVZDOJOA-ZFWWWQNUSA-N 2 1 298.390 2.123 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000271944005 373227607 /nfs/dbraw/zinc/22/76/07/373227607.db2.gz ZHAQSJJZZMGFDU-UHFFFAOYSA-N 2 1 296.418 2.283 20 0 CEADMP CCOC(=O)[C@@H](CC)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000368533554 373243945 /nfs/dbraw/zinc/24/39/45/373243945.db2.gz DQWCGQMMQZTIPS-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP C[NH+]1CCC(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)CC1 ZINC000368827521 373268558 /nfs/dbraw/zinc/26/85/58/373268558.db2.gz XCGXZQCAAIMXTQ-UHFFFAOYSA-N 2 1 299.418 2.445 20 0 CEADMP Cc1cncc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353621719 220199240 /nfs/dbraw/zinc/19/92/40/220199240.db2.gz MPJPJABLVCILCR-BZUAXINKSA-N 2 1 259.397 2.352 20 0 CEADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000369616457 373470127 /nfs/dbraw/zinc/47/01/27/373470127.db2.gz SDRYVNYLMBNPAT-JKSUJKDBSA-N 2 1 288.439 2.298 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2F)CC[N@H+]1C ZINC000644574888 373538696 /nfs/dbraw/zinc/53/86/96/373538696.db2.gz HGJZRUYINDGCNO-STQMWFEESA-N 2 1 293.386 2.227 20 0 CEADMP C[C@H](CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1)CC(C)(C)C ZINC000644629540 373572058 /nfs/dbraw/zinc/57/20/58/373572058.db2.gz ILHVNWVKAIEANJ-HIFRSBDPSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@H](CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)CC(C)(C)C ZINC000644629540 373572062 /nfs/dbraw/zinc/57/20/62/373572062.db2.gz ILHVNWVKAIEANJ-HIFRSBDPSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247177361 220219752 /nfs/dbraw/zinc/21/97/52/220219752.db2.gz UZKWYAQSTOIALB-TUVASFSCSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)[N@H+]1CCC[C@@H](C)C1 ZINC000247177361 220219756 /nfs/dbraw/zinc/21/97/56/220219756.db2.gz UZKWYAQSTOIALB-TUVASFSCSA-N 2 1 254.418 2.121 20 0 CEADMP COc1cc(C)[nH+]c(CN(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000270369149 220228579 /nfs/dbraw/zinc/22/85/79/220228579.db2.gz YXZKWMNQQJJZCX-AWEZNQCLSA-N 2 1 277.412 2.172 20 0 CEADMP COc1cc(C)[nH+]c(CN(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000270369149 220228581 /nfs/dbraw/zinc/22/85/81/220228581.db2.gz YXZKWMNQQJJZCX-AWEZNQCLSA-N 2 1 277.412 2.172 20 0 CEADMP CCOC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371195262 373809508 /nfs/dbraw/zinc/80/95/08/373809508.db2.gz KJWABJUHQXJXMP-OAHLLOKOSA-N 2 1 282.428 2.138 20 0 CEADMP CCOC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371195262 373809514 /nfs/dbraw/zinc/80/95/14/373809514.db2.gz KJWABJUHQXJXMP-OAHLLOKOSA-N 2 1 282.428 2.138 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000371205403 373811582 /nfs/dbraw/zinc/81/15/82/373811582.db2.gz RMTLXXDDVHMLPE-ZBFHGGJFSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000371205403 373811588 /nfs/dbraw/zinc/81/15/88/373811588.db2.gz RMTLXXDDVHMLPE-ZBFHGGJFSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000371205403 373811594 /nfs/dbraw/zinc/81/15/94/373811594.db2.gz RMTLXXDDVHMLPE-ZBFHGGJFSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000371205403 373811600 /nfs/dbraw/zinc/81/16/00/373811600.db2.gz RMTLXXDDVHMLPE-ZBFHGGJFSA-N 2 1 276.428 2.350 20 0 CEADMP O[C@@H]1CCCC[C@@H]1[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371205697 373811753 /nfs/dbraw/zinc/81/17/53/373811753.db2.gz VADAYUFBJQCDDD-IXDOHACOSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@@H+](CCC1CCOCC1)CC1CC[NH+](C)CC1 ZINC000644994249 373817064 /nfs/dbraw/zinc/81/70/64/373817064.db2.gz UUFVPJNXCBQJJK-UHFFFAOYSA-N 2 1 254.418 2.077 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccsc3)C2)CC1 ZINC000371333673 373846281 /nfs/dbraw/zinc/84/62/81/373846281.db2.gz VRZQSCQWXHHIPF-MRXNPFEDSA-N 2 1 293.480 2.348 20 0 CEADMP Cc1nccn1CCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1C ZINC000371378983 373862172 /nfs/dbraw/zinc/86/21/72/373862172.db2.gz NCVKOGJMMCKIAP-MRXNPFEDSA-N 2 1 287.411 2.461 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1C ZINC000371378983 373862180 /nfs/dbraw/zinc/86/21/80/373862180.db2.gz NCVKOGJMMCKIAP-MRXNPFEDSA-N 2 1 287.411 2.461 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(NC2CC[NH+](C3CC3)CC2)n1 ZINC000372114920 374044872 /nfs/dbraw/zinc/04/48/72/374044872.db2.gz AROQOPGWEOVDQU-UHFFFAOYSA-N 2 1 297.406 2.036 20 0 CEADMP Cc1cccc(C(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000289503290 197379788 /nfs/dbraw/zinc/37/97/88/197379788.db2.gz KVZUIJFHQRRREC-INIZCTEOSA-N 2 1 276.424 2.275 20 0 CEADMP Cc1cccc(C(C)(C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000289503290 197379789 /nfs/dbraw/zinc/37/97/89/197379789.db2.gz KVZUIJFHQRRREC-INIZCTEOSA-N 2 1 276.424 2.275 20 0 CEADMP C[C@@H]([NH2+]CC[C@H](C)O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274922085 374096952 /nfs/dbraw/zinc/09/69/52/374096952.db2.gz PIXFZKNVGHMFEN-UXLLHSPISA-N 2 1 276.424 2.258 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCC[C@@H]2CCOC2)CC1 ZINC000645811874 374200060 /nfs/dbraw/zinc/20/00/60/374200060.db2.gz UBRQVQVIGUHARQ-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCC[C@@H]2CCOC2)CC1 ZINC000645811874 374200063 /nfs/dbraw/zinc/20/00/63/374200063.db2.gz UBRQVQVIGUHARQ-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC[C@@H]1CCOC1 ZINC000645837822 374215173 /nfs/dbraw/zinc/21/51/73/374215173.db2.gz FZHNWGHLLAYLTD-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC[C@@H]1CCOC1 ZINC000645837822 374215182 /nfs/dbraw/zinc/21/51/82/374215182.db2.gz FZHNWGHLLAYLTD-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC[C@@H]2CCOC2)CC1 ZINC000645892142 374258428 /nfs/dbraw/zinc/25/84/28/374258428.db2.gz LNAZLVNAKIDHJS-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[N@@H+](CCc2ccccn2)C1 ZINC000373107193 374267314 /nfs/dbraw/zinc/26/73/14/374267314.db2.gz QLUXQYJCZLABFT-CQSZACIVSA-N 2 1 270.380 2.237 20 0 CEADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@@H]1OC ZINC000373224054 374298608 /nfs/dbraw/zinc/29/86/08/374298608.db2.gz OHJURQOCRLTXNK-JJXSEGSLSA-N 2 1 296.455 2.033 20 0 CEADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@@H]1OC ZINC000373224054 374298616 /nfs/dbraw/zinc/29/86/16/374298616.db2.gz OHJURQOCRLTXNK-JJXSEGSLSA-N 2 1 296.455 2.033 20 0 CEADMP C[NH+]1CCC([NH2+][C@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000373162930 374282153 /nfs/dbraw/zinc/28/21/53/374282153.db2.gz FLQJGUPRHYVSGC-DOTOQJQBSA-N 2 1 274.408 2.448 20 0 CEADMP Cc1c[nH+]ccc1NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000373518357 374372520 /nfs/dbraw/zinc/37/25/20/374372520.db2.gz CRWVMBNROKZDFR-YOEHRIQHSA-N 2 1 299.422 2.040 20 0 CEADMP C[N@H+]1CCCC12CCN(CCC[NH+]1CCCC1)CC2 ZINC000374608173 374611864 /nfs/dbraw/zinc/61/18/64/374611864.db2.gz CGFSCNISQREUDZ-UHFFFAOYSA-N 2 1 265.445 2.033 20 0 CEADMP Cc1cc(C)n(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000375835885 374682270 /nfs/dbraw/zinc/68/22/70/374682270.db2.gz AAKXGRXLZKOGHD-ZACQAIPSSA-N 2 1 290.455 2.352 20 0 CEADMP CCOC1CC(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000377124691 374796616 /nfs/dbraw/zinc/79/66/16/374796616.db2.gz GKYMWWGHVXUCJX-BHIOZNAESA-N 2 1 278.440 2.218 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000278397088 374803788 /nfs/dbraw/zinc/80/37/88/374803788.db2.gz NGFVMFMZEBLKHE-UHFFFAOYSA-N 2 1 265.376 2.492 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1NC1CC[NH+](C2CC2)CC1 ZINC000279958075 375045492 /nfs/dbraw/zinc/04/54/92/375045492.db2.gz BVNFJJFJHJUMMM-UHFFFAOYSA-N 2 1 289.379 2.297 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382407929 375184064 /nfs/dbraw/zinc/18/40/64/375184064.db2.gz SOWXVVUNALTZBA-BGTYHANMSA-N 2 1 288.435 2.400 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN[C@H](C)c1ccc(C)c(F)c1 ZINC000388809291 375294652 /nfs/dbraw/zinc/29/46/52/375294652.db2.gz VBFQJFKOGJNXRG-TZMCWYRMSA-N 2 1 268.376 2.097 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)C1 ZINC000389951206 375310443 /nfs/dbraw/zinc/31/04/43/375310443.db2.gz XIWFMMUHJIVNRP-HOTGVXAUSA-N 2 1 284.407 2.291 20 0 CEADMP CCn1c2ccccc2nc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392231212 375322377 /nfs/dbraw/zinc/32/23/77/375322377.db2.gz AGLZJYACUZKWSD-UHFFFAOYSA-N 2 1 284.407 2.408 20 0 CEADMP C[C@H]([NH2+]CCc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000386602371 375263814 /nfs/dbraw/zinc/26/38/14/375263814.db2.gz VANNWJFNORPDPT-WFASDCNBSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccsc1 ZINC000282387482 375473375 /nfs/dbraw/zinc/47/33/75/375473375.db2.gz QZHYHYHQXHSVKA-ZDUSSCGKSA-N 2 1 281.469 2.425 20 0 CEADMP CCc1nc(C)cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000283884248 375776858 /nfs/dbraw/zinc/77/68/58/375776858.db2.gz VJYMFIIZSMEHSO-OLZOCXBDSA-N 2 1 260.385 2.020 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)[C@@H](C)C1 ZINC000414305172 375828778 /nfs/dbraw/zinc/82/87/78/375828778.db2.gz FMBFSRLXHNZDMZ-QRTARXTBSA-N 2 1 294.414 2.222 20 0 CEADMP CC(C)[C@@H]([NH3+])CCN(C)Cc1ncc(C[NH+](C)C)s1 ZINC000414666743 375908072 /nfs/dbraw/zinc/90/80/72/375908072.db2.gz XGBYMNNZQQTVFI-ZDUSSCGKSA-N 2 1 284.473 2.010 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCOC[C@H]2Cc2ccccc2)CC[NH2+]1 ZINC000414668564 375910009 /nfs/dbraw/zinc/91/00/09/375910009.db2.gz AGPZIMZUXOSLBD-BPQIPLTHSA-N 2 1 288.435 2.318 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](CCO)Cc2cccc(F)c2)CC[NH2+]1 ZINC000414763022 375954242 /nfs/dbraw/zinc/95/42/42/375954242.db2.gz WWAZGVPNLMTFFF-ZFWWWQNUSA-N 2 1 280.387 2.008 20 0 CEADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1F)C1CC([NH3+])C1 ZINC000414768973 375959044 /nfs/dbraw/zinc/95/90/44/375959044.db2.gz JCOYHCXNMSABHA-UHFFFAOYSA-N 2 1 274.343 2.137 20 0 CEADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C1CC([NH3+])C1 ZINC000414768973 375959050 /nfs/dbraw/zinc/95/90/50/375959050.db2.gz JCOYHCXNMSABHA-UHFFFAOYSA-N 2 1 274.343 2.137 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCC2 ZINC000414772897 375960744 /nfs/dbraw/zinc/96/07/44/375960744.db2.gz CRWYMMCWXLTUOO-IAGOWNOFSA-N 2 1 286.419 2.443 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CC12CCOCC2 ZINC000414776364 375960890 /nfs/dbraw/zinc/96/08/90/375960890.db2.gz HDDZKXRZDOMAQS-BBOMDTFKSA-N 2 1 286.419 2.387 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000414770996 375962100 /nfs/dbraw/zinc/96/21/00/375962100.db2.gz OPHJALZXWJFBHX-QZWWFDLISA-N 2 1 256.393 2.474 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC2CC[NH2+]CC2)C1 ZINC000414783124 375967229 /nfs/dbraw/zinc/96/72/29/375967229.db2.gz GIHAKIKTMOVGLM-RHSMWYFYSA-N 2 1 273.424 2.164 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000414783124 375967237 /nfs/dbraw/zinc/96/72/37/375967237.db2.gz GIHAKIKTMOVGLM-RHSMWYFYSA-N 2 1 273.424 2.164 20 0 CEADMP CCC[C@H](C)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414783705 375967804 /nfs/dbraw/zinc/96/78/04/375967804.db2.gz QLCXCPZAZJHBRW-KBPBESRZSA-N 2 1 254.418 2.110 20 0 CEADMP COCCCOc1cccc(C[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000414792045 375973135 /nfs/dbraw/zinc/97/31/35/375973135.db2.gz IJSMTXCKHBUGOB-MRXNPFEDSA-N 2 1 280.412 2.175 20 0 CEADMP C[C@@H]1CCc2nc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])sc2C1 ZINC000414790781 375973348 /nfs/dbraw/zinc/97/33/48/375973348.db2.gz AIACDXUQHLBXHV-WOPDTQHZSA-N 2 1 279.453 2.485 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)C1CC1 ZINC000414793692 375975526 /nfs/dbraw/zinc/97/55/26/375975526.db2.gz DTOPUKJXGRARPI-ZDUSSCGKSA-N 2 1 288.313 2.455 20 0 CEADMP COc1ccc([C@@H]2CCC[N@H+]2CCC[NH3+])cc1OC ZINC000414677787 375912734 /nfs/dbraw/zinc/91/27/34/375912734.db2.gz JRRISDADLGVMKP-ZDUSSCGKSA-N 2 1 264.369 2.190 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000414711680 375935449 /nfs/dbraw/zinc/93/54/49/375935449.db2.gz SWDSDNDAEJVBHG-JJXSEGSLSA-N 3 1 267.461 2.037 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000414711680 375935456 /nfs/dbraw/zinc/93/54/56/375935456.db2.gz SWDSDNDAEJVBHG-JJXSEGSLSA-N 3 1 267.461 2.037 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000414711680 375935461 /nfs/dbraw/zinc/93/54/61/375935461.db2.gz SWDSDNDAEJVBHG-JJXSEGSLSA-N 3 1 267.461 2.037 20 0 CEADMP CCN1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000414711680 375935465 /nfs/dbraw/zinc/93/54/65/375935465.db2.gz SWDSDNDAEJVBHG-JJXSEGSLSA-N 2 1 267.461 2.037 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000414711680 375935469 /nfs/dbraw/zinc/93/54/69/375935469.db2.gz SWDSDNDAEJVBHG-JJXSEGSLSA-N 2 1 267.461 2.037 20 0 CEADMP CCC[C@H]1CN(CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000414715449 375936615 /nfs/dbraw/zinc/93/66/15/375936615.db2.gz WVPUERAOVFHPOA-KRWDZBQOSA-N 2 1 275.440 2.322 20 0 CEADMP COc1cccc(C[N@@H+](CCC[NH3+])C2CCC(O)CC2)c1 ZINC000414732438 375943388 /nfs/dbraw/zinc/94/33/88/375943388.db2.gz AEBYPJAAZACYDH-UHFFFAOYSA-N 2 1 292.423 2.150 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](OCC3CC3)C2)CC[NH2+]1 ZINC000414737060 375943776 /nfs/dbraw/zinc/94/37/76/375943776.db2.gz HECKLZXXFAUUBZ-KBMXLJTQSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](CCN(C)C)C2CCCC2)CC[NH2+]1 ZINC000414735775 375943876 /nfs/dbraw/zinc/94/38/76/375943876.db2.gz MOLLXJHIJLBWBA-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CC[NH2+]1 ZINC000414734250 375943997 /nfs/dbraw/zinc/94/39/97/375943997.db2.gz DJFVULNLALUSRW-HYVNUMGLSA-N 3 1 279.472 2.038 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)CC[NH2+]1 ZINC000414734250 375944003 /nfs/dbraw/zinc/94/40/03/375944003.db2.gz DJFVULNLALUSRW-HYVNUMGLSA-N 3 1 279.472 2.038 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC[NH2+]1 ZINC000414734250 375944008 /nfs/dbraw/zinc/94/40/08/375944008.db2.gz DJFVULNLALUSRW-HYVNUMGLSA-N 3 1 279.472 2.038 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@]3(CCCOC3)C2)CC[NH2+]1 ZINC000414739137 375945380 /nfs/dbraw/zinc/94/53/80/375945380.db2.gz JXTFINYMRHKVQW-PMPSAXMXSA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+]CCC[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000414741239 375945456 /nfs/dbraw/zinc/94/54/56/375945456.db2.gz FEYURSQESGJOAR-INIZCTEOSA-N 2 1 262.397 2.059 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@H]([NH3+])CC(C)C)C[C@@H]1C ZINC000414749590 375949476 /nfs/dbraw/zinc/94/94/76/375949476.db2.gz YJNUFLAVFPOMNT-ZNMIVQPWSA-N 2 1 255.450 2.164 20 0 CEADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(C)c1 ZINC000414810617 375998467 /nfs/dbraw/zinc/99/84/67/375998467.db2.gz VKEBWCFTJVTJJD-CJNGLKHVSA-N 2 1 289.423 2.347 20 0 CEADMP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1OC ZINC000414817481 376005029 /nfs/dbraw/zinc/00/50/29/376005029.db2.gz SDPRCQZTSHRHMF-PBWFPOADSA-N 2 1 276.380 2.076 20 0 CEADMP c1cc2c(c(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c1)OCO2 ZINC000415033231 376016760 /nfs/dbraw/zinc/01/67/60/376016760.db2.gz BIVRSEYNXUJLAU-UKRRQHHQSA-N 2 1 288.391 2.379 20 0 CEADMP c1cc2c(c(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c1)OCO2 ZINC000415033231 376016766 /nfs/dbraw/zinc/01/67/66/376016766.db2.gz BIVRSEYNXUJLAU-UKRRQHHQSA-N 2 1 288.391 2.379 20 0 CEADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000415979950 376030642 /nfs/dbraw/zinc/03/06/42/376030642.db2.gz FKOBGKINBDAJIP-SWLSCSKDSA-N 2 1 290.411 2.010 20 0 CEADMP CC1(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)COC1 ZINC000286527603 375983771 /nfs/dbraw/zinc/98/37/71/375983771.db2.gz NLOJFPXIOBFJPM-QGZVFWFLSA-N 2 1 288.435 2.177 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1O ZINC000414801326 375987053 /nfs/dbraw/zinc/98/70/53/375987053.db2.gz GUSWCBRBSHDDNH-SMDDNHRTSA-N 2 1 278.396 2.049 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000414802646 375988056 /nfs/dbraw/zinc/98/80/56/375988056.db2.gz KZEFSIWTZHDVHY-UHFFFAOYSA-N 2 1 296.411 2.320 20 0 CEADMP COc1ccccc1[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261874609 190045417 /nfs/dbraw/zinc/04/54/17/190045417.db2.gz XSVFPSDSMFUEIH-HNNXBMFYSA-N 2 1 274.408 2.484 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287847297 376327416 /nfs/dbraw/zinc/32/74/16/376327416.db2.gz WOEGSXQZOFCIMX-GJZGRUSLSA-N 2 1 299.422 2.260 20 0 CEADMP CO[C@@H](CC(C)C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000419210838 376395917 /nfs/dbraw/zinc/39/59/17/376395917.db2.gz VZTBSSYMBBXXJX-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOCC2CCC2)C1 ZINC000419220272 376400040 /nfs/dbraw/zinc/40/00/40/376400040.db2.gz UKXQLADSVOVIAU-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOCC2CCC2)C1 ZINC000419220272 376400041 /nfs/dbraw/zinc/40/00/41/376400041.db2.gz UKXQLADSVOVIAU-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC000419220272 376400045 /nfs/dbraw/zinc/40/00/45/376400045.db2.gz UKXQLADSVOVIAU-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOCC2CCC2)C1 ZINC000419220272 376400048 /nfs/dbraw/zinc/40/00/48/376400048.db2.gz UKXQLADSVOVIAU-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP Cc1ccncc1CCC[N@H+]1CCC[C@@](F)(CO)C1 ZINC000289692692 376446966 /nfs/dbraw/zinc/44/69/66/376446966.db2.gz FQMARLCZKJWOFV-HNNXBMFYSA-N 2 1 266.360 2.119 20 0 CEADMP Cc1ccncc1CCCN1CCC[C@@](F)(CO)C1 ZINC000289692692 376446971 /nfs/dbraw/zinc/44/69/71/376446971.db2.gz FQMARLCZKJWOFV-HNNXBMFYSA-N 2 1 266.360 2.119 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(O)c2)C1 ZINC000289859229 376532811 /nfs/dbraw/zinc/53/28/11/376532811.db2.gz RNRNHAWYHJQZKI-OLZOCXBDSA-N 2 1 278.396 2.393 20 0 CEADMP C[C@H]1C[N@@H+](CCCOCc2ccccc2)CC[C@@H]1[NH3+] ZINC000309851935 376606914 /nfs/dbraw/zinc/60/69/14/376606914.db2.gz JTPFAZDQSATAQI-HOCLYGCPSA-N 2 1 262.397 2.262 20 0 CEADMP CCCCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C(C)C ZINC000310793810 376637109 /nfs/dbraw/zinc/63/71/09/376637109.db2.gz BLJRNBGSGYWYFS-OAHLLOKOSA-N 2 1 256.434 2.342 20 0 CEADMP CCCCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C(C)C ZINC000310793810 376637119 /nfs/dbraw/zinc/63/71/19/376637119.db2.gz BLJRNBGSGYWYFS-OAHLLOKOSA-N 2 1 256.434 2.342 20 0 CEADMP CCCCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000310793810 376637125 /nfs/dbraw/zinc/63/71/25/376637125.db2.gz BLJRNBGSGYWYFS-OAHLLOKOSA-N 2 1 256.434 2.342 20 0 CEADMP CCCCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000310793810 376637135 /nfs/dbraw/zinc/63/71/35/376637135.db2.gz BLJRNBGSGYWYFS-OAHLLOKOSA-N 2 1 256.434 2.342 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCOC1 ZINC000310793020 376637178 /nfs/dbraw/zinc/63/71/78/376637178.db2.gz VPKPFKIXJZABOG-BARDWOONSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCOC1 ZINC000310793020 376637184 /nfs/dbraw/zinc/63/71/84/376637184.db2.gz VPKPFKIXJZABOG-BARDWOONSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCN1c1nc(C)nc2c1CCCC2 ZINC000558986904 376655655 /nfs/dbraw/zinc/65/56/55/376655655.db2.gz UAZJYCOENWVRJW-CYBMUJFWSA-N 2 1 274.412 2.194 20 0 CEADMP CC[C@@H]1CN(C)CCN1c1nc(C)nc2c1CCCC2 ZINC000558986904 376655667 /nfs/dbraw/zinc/65/56/67/376655667.db2.gz UAZJYCOENWVRJW-CYBMUJFWSA-N 2 1 274.412 2.194 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cn2ccccc2n1 ZINC000559920629 376699880 /nfs/dbraw/zinc/69/98/80/376699880.db2.gz DJQKKLWLZNCFBR-ZDUSSCGKSA-N 2 1 270.380 2.247 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(OC)c1 ZINC000315025206 376790403 /nfs/dbraw/zinc/79/04/03/376790403.db2.gz ZDNXEHJUHCYHRO-GASCZTMLSA-N 2 1 290.407 2.135 20 0 CEADMP COC1(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000319290815 376816066 /nfs/dbraw/zinc/81/60/66/376816066.db2.gz HMUVZTRPROYNHH-PBWFPOADSA-N 2 1 252.402 2.160 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000249923837 284604614 /nfs/dbraw/zinc/60/46/14/284604614.db2.gz BMNJCEARGQGGQD-BZUAXINKSA-N 3 1 267.461 2.229 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCO)cc2)c2ccccc21 ZINC000422936285 376864351 /nfs/dbraw/zinc/86/43/51/376864351.db2.gz BGFPALHBMLNTHS-QZTJIDSGSA-N 2 1 298.386 2.292 20 0 CEADMP CC(C)[C@@H](CN[C@@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000422936916 376865547 /nfs/dbraw/zinc/86/55/47/376865547.db2.gz ITTWXXBRRXDQQG-QZTJIDSGSA-N 2 1 287.451 2.021 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCCC[N@H+](C)C(C)C ZINC000422960983 376886818 /nfs/dbraw/zinc/88/68/18/376886818.db2.gz AHVIKEOLPAUYIF-ZDUSSCGKSA-N 2 1 278.444 2.230 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000422960983 376886825 /nfs/dbraw/zinc/88/68/25/376886825.db2.gz AHVIKEOLPAUYIF-ZDUSSCGKSA-N 3 1 278.444 2.230 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000422960983 376886833 /nfs/dbraw/zinc/88/68/33/376886833.db2.gz AHVIKEOLPAUYIF-ZDUSSCGKSA-N 3 1 278.444 2.230 20 0 CEADMP C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000423078648 376971962 /nfs/dbraw/zinc/97/19/62/376971962.db2.gz OWPCSUUBCGXIQY-FVQBIDKESA-N 2 1 268.445 2.438 20 0 CEADMP C([NH2+][C@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1(C2CC2)CCC1 ZINC000422998176 376915531 /nfs/dbraw/zinc/91/55/31/376915531.db2.gz CLLBEIVQKLELDR-PMPSAXMXSA-N 2 1 278.440 2.313 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423003726 376922146 /nfs/dbraw/zinc/92/21/46/376922146.db2.gz NEMBRXKSAYEOML-HIFRSBDPSA-N 2 1 278.444 2.295 20 0 CEADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423018370 376934286 /nfs/dbraw/zinc/93/42/86/376934286.db2.gz YSGURIFRQNTUCW-VBQJREDUSA-N 2 1 276.424 2.461 20 0 CEADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000423039809 376942828 /nfs/dbraw/zinc/94/28/28/376942828.db2.gz GALXLOIUJXSUTG-DOTOQJQBSA-N 2 1 289.467 2.266 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000423121426 377016696 /nfs/dbraw/zinc/01/66/96/377016696.db2.gz IRWZNGJMAMDEFR-UONOGXRCSA-N 2 1 258.369 2.313 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423130411 377030457 /nfs/dbraw/zinc/03/04/57/377030457.db2.gz YFUABPWEZAIDKM-LEUOFYLZSA-N 2 1 288.435 2.273 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423133242 377031972 /nfs/dbraw/zinc/03/19/72/377031972.db2.gz CNEFSQRSMPQMBH-ZNMIVQPWSA-N 2 1 255.450 2.227 20 0 CEADMP C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1c[nH+]ccc1N ZINC000423135936 377034184 /nfs/dbraw/zinc/03/41/84/377034184.db2.gz OQFWJPKBQJRVQX-GXTWGEPZSA-N 2 1 277.412 2.334 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H](C)c1c[nH+]ccc1N ZINC000423141710 377039984 /nfs/dbraw/zinc/03/99/84/377039984.db2.gz RKKBNFNHFFWHCX-QWHCGFSZSA-N 2 1 264.417 2.265 20 0 CEADMP CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423145565 377045059 /nfs/dbraw/zinc/04/50/59/377045059.db2.gz LHGYHGYFYZYWGY-HBNTYKKESA-N 2 1 268.323 2.074 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000562986584 377046514 /nfs/dbraw/zinc/04/65/14/377046514.db2.gz MVBYOCPSALGBRX-NVXWUHKLSA-N 2 1 294.414 2.051 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000423089974 376981320 /nfs/dbraw/zinc/98/13/20/376981320.db2.gz WHQOYBAIGWLENJ-NUJGCVRESA-N 2 1 287.451 2.491 20 0 CEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423102686 376996331 /nfs/dbraw/zinc/99/63/31/376996331.db2.gz OMURSRNLWOZGMV-LJIZCISZSA-N 2 1 266.429 2.169 20 0 CEADMP C[C@@H](NC1CC[NH2+]CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423194710 377109597 /nfs/dbraw/zinc/10/95/97/377109597.db2.gz YHKMIZUBKREZTH-CQSZACIVSA-N 2 1 291.439 2.030 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](COC)c1cccc(Cl)c1 ZINC000423204065 377120644 /nfs/dbraw/zinc/12/06/44/377120644.db2.gz UEWRXXNMKSWNEQ-ZDUSSCGKSA-N 2 1 256.777 2.227 20 0 CEADMP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423159275 377061803 /nfs/dbraw/zinc/06/18/03/377061803.db2.gz XTRBYGGATYWWGF-RQJABVFESA-N 2 1 288.382 2.169 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1c[nH+]ccc1N ZINC000423168265 377073893 /nfs/dbraw/zinc/07/38/93/377073893.db2.gz UDQDPJTTXROAFT-GFCCVEGCSA-N 2 1 277.412 2.476 20 0 CEADMP CC[C@H]([NH2+][C@@H]1Cc2cccc(OC)c2C1)[C@@H]1CCC[NH2+]1 ZINC000423171816 377079124 /nfs/dbraw/zinc/07/91/24/377079124.db2.gz QBNLLDGKWJNPBW-KBMXLJTQSA-N 2 1 274.408 2.283 20 0 CEADMP Cc1c([C@@H](C)[NH2+]C2CC[NH2+]CC2)cnn1C(C)C ZINC000423176399 377086881 /nfs/dbraw/zinc/08/68/81/377086881.db2.gz CBEPBKUCKNANND-LLVKDONJSA-N 2 1 250.390 2.175 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(CO)c1 ZINC000423185257 377096786 /nfs/dbraw/zinc/09/67/86/377096786.db2.gz UWNYRBLBZVZSEU-CYBMUJFWSA-N 2 1 262.397 2.491 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)C12CCC2 ZINC000423272541 377195128 /nfs/dbraw/zinc/19/51/28/377195128.db2.gz ZCBSESXWPSTPEH-HZSPNIEDSA-N 2 1 254.418 2.297 20 0 CEADMP CCc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000563209442 377128004 /nfs/dbraw/zinc/12/80/04/377128004.db2.gz AYLNIEJMUHZVHS-GOSISDBHSA-N 2 1 290.451 2.431 20 0 CEADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1OC ZINC000423216779 377133969 /nfs/dbraw/zinc/13/39/69/377133969.db2.gz QXDLGSNSOWGSIC-MBNYWOFBSA-N 2 1 278.396 2.147 20 0 CEADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ncc(-c2ccccc2)n1C ZINC000423228143 377144987 /nfs/dbraw/zinc/14/49/87/377144987.db2.gz YIKIOFGILATNEP-QWHCGFSZSA-N 2 1 272.396 2.475 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000423244630 377164041 /nfs/dbraw/zinc/16/40/41/377164041.db2.gz LKTPTWBLFRDOAA-KGLIPLIRSA-N 2 1 254.418 2.313 20 0 CEADMP C[C@H](CCCC[NH3+])NCC[NH2+]C1CCCCCC1 ZINC000423284920 377213099 /nfs/dbraw/zinc/21/30/99/377213099.db2.gz XNNQDHOFJFNPRG-CQSZACIVSA-N 2 1 255.450 2.406 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]CCNC1CCCCCC1 ZINC000423284920 377213106 /nfs/dbraw/zinc/21/31/06/377213106.db2.gz XNNQDHOFJFNPRG-CQSZACIVSA-N 2 1 255.450 2.406 20 0 CEADMP FC1(F)Oc2ccc(C[NH2+]CCC[NH+]3CCC3)cc2O1 ZINC000563414812 377213730 /nfs/dbraw/zinc/21/37/30/377213730.db2.gz ALULXDDZROYBET-UHFFFAOYSA-N 2 1 284.306 2.194 20 0 CEADMP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(C(=O)OC)cc1 ZINC000423288244 377216613 /nfs/dbraw/zinc/21/66/13/377216613.db2.gz REGKWHVDLXODEU-ZDUSSCGKSA-N 2 1 264.369 2.251 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000423296860 377224110 /nfs/dbraw/zinc/22/41/10/377224110.db2.gz HUMHZZQEUSJRAL-UONOGXRCSA-N 2 1 287.411 2.435 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1OC ZINC000423310356 377239018 /nfs/dbraw/zinc/23/90/18/377239018.db2.gz ADAWOHNHIKJGBU-GXFFZTMASA-N 2 1 264.369 2.092 20 0 CEADMP C[C@@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000423322391 377252292 /nfs/dbraw/zinc/25/22/92/377252292.db2.gz HBKLRFYMZNLVNM-QLFBSQMISA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423277359 377202928 /nfs/dbraw/zinc/20/29/28/377202928.db2.gz PKMIBYMMHOBDFO-HYVNUMGLSA-N 2 1 275.440 2.222 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000423280772 377206915 /nfs/dbraw/zinc/20/69/15/377206915.db2.gz ADBDGNDTDWSWML-LLVKDONJSA-N 2 1 290.411 2.358 20 0 CEADMP CC[C@@](C)(C(=O)OC)[N@H+](CCn1cc[nH+]c1C)CC1CC1 ZINC000425515668 377359283 /nfs/dbraw/zinc/35/92/83/377359283.db2.gz SSFOFNLDGYMJDD-INIZCTEOSA-N 2 1 293.411 2.245 20 0 CEADMP CC[C@@](C)(C(=O)OC)[N@@H+](CCn1cc[nH+]c1C)CC1CC1 ZINC000425515668 377359289 /nfs/dbraw/zinc/35/92/89/377359289.db2.gz SSFOFNLDGYMJDD-INIZCTEOSA-N 2 1 293.411 2.245 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1c[nH+]ccc1N ZINC000564826239 377468668 /nfs/dbraw/zinc/46/86/68/377468668.db2.gz GWXJXFWRHKWSKY-KNXALSJPSA-N 2 1 275.396 2.350 20 0 CEADMP Cc1cccc2c1cc[nH+]c2NC[C@@](C)(O)C[NH+](C)C ZINC000564892465 377491241 /nfs/dbraw/zinc/49/12/41/377491241.db2.gz YALUAUZFWRRIKJ-MRXNPFEDSA-N 2 1 273.380 2.268 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000685658054 542176588 /nfs/dbraw/zinc/17/65/88/542176588.db2.gz DEFNNQCENRTKEE-HUUCEWRRSA-N 3 1 269.477 2.427 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000685658054 542176593 /nfs/dbraw/zinc/17/65/93/542176593.db2.gz DEFNNQCENRTKEE-HUUCEWRRSA-N 3 1 269.477 2.427 20 0 CEADMP C[C@H]1CCC[N@H+](CCN(C)c2ccccc2)[C@H]1C[NH3+] ZINC000430590947 377530092 /nfs/dbraw/zinc/53/00/92/377530092.db2.gz DSPPNQLBIOUHMK-HOCLYGCPSA-N 2 1 261.413 2.182 20 0 CEADMP C[C@H]1CCC[N@@H+](CCN(C)c2ccccc2)[C@H]1C[NH3+] ZINC000430590947 377530097 /nfs/dbraw/zinc/53/00/97/377530097.db2.gz DSPPNQLBIOUHMK-HOCLYGCPSA-N 2 1 261.413 2.182 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000430644117 377532783 /nfs/dbraw/zinc/53/27/83/377532783.db2.gz SZOOOMQUZJQJGU-HNNXBMFYSA-N 2 1 275.396 2.076 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000430644117 377532790 /nfs/dbraw/zinc/53/27/90/377532790.db2.gz SZOOOMQUZJQJGU-HNNXBMFYSA-N 2 1 275.396 2.076 20 0 CEADMP CC(C)n1ccnc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430946855 377569758 /nfs/dbraw/zinc/56/97/58/377569758.db2.gz BWSAQBFNRZOEMH-GFCCVEGCSA-N 2 1 250.390 2.023 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430956050 377574265 /nfs/dbraw/zinc/57/42/65/377574265.db2.gz JRTOFUOMEGUOMT-APIJFGDWSA-N 2 1 254.418 2.251 20 0 CEADMP COC1CCC([N@H+](C)CCCc2c[nH+]cn2C)CC1 ZINC000565163340 377580737 /nfs/dbraw/zinc/58/07/37/377580737.db2.gz KBRBUXIETJZRQJ-UHFFFAOYSA-N 2 1 265.401 2.242 20 0 CEADMP COC1CCC([N@@H+](C)CCCc2c[nH+]cn2C)CC1 ZINC000565163340 377580742 /nfs/dbraw/zinc/58/07/42/377580742.db2.gz KBRBUXIETJZRQJ-UHFFFAOYSA-N 2 1 265.401 2.242 20 0 CEADMP CC[C@@H](C(=O)NC[C@H](c1ccco1)[NH+](C)C)[NH+](CC)CC ZINC000265450956 190183359 /nfs/dbraw/zinc/18/33/59/190183359.db2.gz TYIMRZLVZSJYIO-UONOGXRCSA-N 2 1 295.427 2.119 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCOc2ccc(OC)cc2)C1 ZINC000430962340 377575786 /nfs/dbraw/zinc/57/57/86/377575786.db2.gz CKARQFMVPAGIRU-AWEZNQCLSA-N 2 1 278.396 2.005 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000565172518 377586450 /nfs/dbraw/zinc/58/64/50/377586450.db2.gz OOJCXWYCTUGSEU-OLZOCXBDSA-N 2 1 269.339 2.330 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000565172518 377586453 /nfs/dbraw/zinc/58/64/53/377586453.db2.gz OOJCXWYCTUGSEU-OLZOCXBDSA-N 2 1 269.339 2.330 20 0 CEADMP CN(CC[C@@H]1CCC[N@H+]1C)CCN(C)C(=O)OC(C)(C)C ZINC000091763207 249309183 /nfs/dbraw/zinc/30/91/83/249309183.db2.gz WWVQWFLSQZTHIS-AWEZNQCLSA-N 2 1 299.459 2.269 20 0 CEADMP CN(CC[N@H+](C)CC[C@@H]1CCC[NH+]1C)C(=O)OC(C)(C)C ZINC000091763207 249309191 /nfs/dbraw/zinc/30/91/91/249309191.db2.gz WWVQWFLSQZTHIS-AWEZNQCLSA-N 2 1 299.459 2.269 20 0 CEADMP CN(CC[N@@H+](C)CC[C@@H]1CCC[NH+]1C)C(=O)OC(C)(C)C ZINC000091763207 249309200 /nfs/dbraw/zinc/30/92/00/249309200.db2.gz WWVQWFLSQZTHIS-AWEZNQCLSA-N 2 1 299.459 2.269 20 0 CEADMP CN(CC[NH+](C)CC[C@@H]1CCC[N@@H+]1C)C(=O)OC(C)(C)C ZINC000091763207 249309207 /nfs/dbraw/zinc/30/92/07/249309207.db2.gz WWVQWFLSQZTHIS-AWEZNQCLSA-N 2 1 299.459 2.269 20 0 CEADMP CN(CC[NH+](C)CC[C@@H]1CCC[N@H+]1C)C(=O)OC(C)(C)C ZINC000091763207 249309212 /nfs/dbraw/zinc/30/92/12/249309212.db2.gz WWVQWFLSQZTHIS-AWEZNQCLSA-N 2 1 299.459 2.269 20 0 CEADMP C[C@@H](CC[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000313401033 249393645 /nfs/dbraw/zinc/39/36/45/249393645.db2.gz TYGKSRJMUUKEOR-GOEBONIOSA-N 2 1 262.397 2.230 20 0 CEADMP CCOC(=O)CC1([NH2+]CCCc2c[nH+]cn2C)CCCC1 ZINC000565606383 377679374 /nfs/dbraw/zinc/67/93/74/377679374.db2.gz CMIIUXKYBOBFHH-UHFFFAOYSA-N 2 1 293.411 2.208 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000431857988 377679869 /nfs/dbraw/zinc/67/98/69/377679869.db2.gz BCNVNCGWGSNANE-PMPSAXMXSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000431857988 377679879 /nfs/dbraw/zinc/67/98/79/377679879.db2.gz BCNVNCGWGSNANE-PMPSAXMXSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000431857988 377679889 /nfs/dbraw/zinc/67/98/89/377679889.db2.gz BCNVNCGWGSNANE-PMPSAXMXSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cc(C(=O)OC)cs1 ZINC000566088124 377722074 /nfs/dbraw/zinc/72/20/74/377722074.db2.gz BHARHLJEFMYRBQ-JTQLQIEISA-N 2 1 270.398 2.185 20 0 CEADMP COCC1([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000566091199 377723887 /nfs/dbraw/zinc/72/38/87/377723887.db2.gz ZGNUTWPHJOHGIS-LSDHHAIUSA-N 2 1 260.381 2.248 20 0 CEADMP COCC1([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000566091196 377724857 /nfs/dbraw/zinc/72/48/57/377724857.db2.gz ZGNUTWPHJOHGIS-CABCVRRESA-N 2 1 260.381 2.248 20 0 CEADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000566121667 377728124 /nfs/dbraw/zinc/72/81/24/377728124.db2.gz MGHCTLJPUBSJLV-UKRRQHHQSA-N 2 1 254.418 2.166 20 0 CEADMP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000566121667 377728127 /nfs/dbraw/zinc/72/81/27/377728127.db2.gz MGHCTLJPUBSJLV-UKRRQHHQSA-N 2 1 254.418 2.166 20 0 CEADMP CCCC[C@H](COC)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432418575 377758583 /nfs/dbraw/zinc/75/85/83/377758583.db2.gz STQHSOHBCLNIDP-HZPDHXFCSA-N 2 1 286.460 2.282 20 0 CEADMP CCCC[C@H](COC)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432418575 377758588 /nfs/dbraw/zinc/75/85/88/377758588.db2.gz STQHSOHBCLNIDP-HZPDHXFCSA-N 2 1 286.460 2.282 20 0 CEADMP C[C@@H](CC1CC1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432431471 377762575 /nfs/dbraw/zinc/76/25/75/377762575.db2.gz WEPBOAYSVVHXJB-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](CC1CC1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432431471 377762582 /nfs/dbraw/zinc/76/25/82/377762582.db2.gz WEPBOAYSVVHXJB-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1sccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000293810292 377768606 /nfs/dbraw/zinc/76/86/06/377768606.db2.gz FABJBPKIWUQAAR-UHFFFAOYSA-N 2 1 281.469 2.126 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000567042918 377793475 /nfs/dbraw/zinc/79/34/75/377793475.db2.gz HZSJQEOFMNSEIZ-VNQPRFMTSA-N 2 1 277.412 2.148 20 0 CEADMP C[N@@H+](CC[C@H]1CCOC1)CC[C@H]1CCCC[NH+]1C ZINC000438123098 377890414 /nfs/dbraw/zinc/89/04/14/377890414.db2.gz CHCNFCBCVWGZHG-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@H]1CCOC1)CC[C@H]1CCCC[N@@H+]1C ZINC000438123098 377890419 /nfs/dbraw/zinc/89/04/19/377890419.db2.gz CHCNFCBCVWGZHG-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@H]1CCOC1)CC[C@H]1CCCC[N@H+]1C ZINC000438123098 377890425 /nfs/dbraw/zinc/89/04/25/377890425.db2.gz CHCNFCBCVWGZHG-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441414576 377942363 /nfs/dbraw/zinc/94/23/63/377942363.db2.gz TZGVQPAIKIVYKO-GOEBONIOSA-N 2 1 266.429 2.362 20 0 CEADMP CCOCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441414576 377942371 /nfs/dbraw/zinc/94/23/71/377942371.db2.gz TZGVQPAIKIVYKO-GOEBONIOSA-N 2 1 266.429 2.362 20 0 CEADMP CCOCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441414576 377942376 /nfs/dbraw/zinc/94/23/76/377942376.db2.gz TZGVQPAIKIVYKO-GOEBONIOSA-N 2 1 266.429 2.362 20 0 CEADMP CCC[N@@H+](C)CC(=O)Nc1ccccc1CC[NH+](C)C ZINC000438564325 377909727 /nfs/dbraw/zinc/90/97/27/377909727.db2.gz XVCRQEQCVONZAN-UHFFFAOYSA-N 2 1 277.412 2.071 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCc3occc32)CC1(C)C ZINC000442881275 378012902 /nfs/dbraw/zinc/01/29/02/378012902.db2.gz ZDPMPLRYIFGMMB-HNNXBMFYSA-N 2 1 291.439 2.273 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000442918182 378018001 /nfs/dbraw/zinc/01/80/01/378018001.db2.gz CDCXJQFGWFGLSO-CQSZACIVSA-N 2 1 290.407 2.409 20 0 CEADMP COc1cccc(CCC[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000442763232 377992142 /nfs/dbraw/zinc/99/21/42/377992142.db2.gz AXYSICPAMVDGOC-HIFRSBDPSA-N 2 1 262.397 2.297 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442766985 377993433 /nfs/dbraw/zinc/99/34/33/377993433.db2.gz PLPSWDMVSCUKJN-YIONKMFJSA-N 2 1 298.434 2.331 20 0 CEADMP Cn1c2ccccc2nc1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442766985 377993436 /nfs/dbraw/zinc/99/34/36/377993436.db2.gz PLPSWDMVSCUKJN-YIONKMFJSA-N 2 1 298.434 2.331 20 0 CEADMP CC[NH+](CC)CCCNc1[nH+]c2cccc(F)c2n1C ZINC000443406010 378051708 /nfs/dbraw/zinc/05/17/08/378051708.db2.gz CSJANUYSGVHGFK-UHFFFAOYSA-N 2 1 278.375 2.278 20 0 CEADMP CCc1cc(NCC[N@@H+]2CCOC[C@@H]2C)c2ccccc2[nH+]1 ZINC000443671897 378069716 /nfs/dbraw/zinc/06/97/16/378069716.db2.gz DXTIONYYEVKBPX-AWEZNQCLSA-N 2 1 299.418 2.352 20 0 CEADMP CCc1cc(NCC[N@H+]2CCOC[C@@H]2C)c2ccccc2[nH+]1 ZINC000443671897 378069738 /nfs/dbraw/zinc/06/97/38/378069738.db2.gz DXTIONYYEVKBPX-AWEZNQCLSA-N 2 1 299.418 2.352 20 0 CEADMP CC[NH+](CC(O)C[N@H+](CC)C1CCC1)C1CCC1 ZINC000447350282 378105719 /nfs/dbraw/zinc/10/57/19/378105719.db2.gz QWKGFHPNKHKEDS-UHFFFAOYSA-N 2 1 254.418 2.096 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(F)ncc1F ZINC000295682642 378263302 /nfs/dbraw/zinc/26/33/02/378263302.db2.gz LADDZPJKCRPHHR-UHFFFAOYSA-N 2 1 280.322 2.435 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(=O)NC ZINC000449771437 378228808 /nfs/dbraw/zinc/22/88/08/378228808.db2.gz GXWMNSQYJVLFGC-BPUTZDHNSA-N 2 1 295.471 2.144 20 0 CEADMP Cc1nccn1CC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000295948802 378366057 /nfs/dbraw/zinc/36/60/57/378366057.db2.gz LPWIJZDABOURAX-UHFFFAOYSA-N 2 1 268.364 2.376 20 0 CEADMP Cc1cnccc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000296564069 378576120 /nfs/dbraw/zinc/57/61/20/378576120.db2.gz VMPBVSDJDNZWIA-IYBDPMFKSA-N 2 1 291.439 2.369 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000450926870 378648337 /nfs/dbraw/zinc/64/83/37/378648337.db2.gz ADHDXBGKJQAJMO-MRXNPFEDSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453055081 378787350 /nfs/dbraw/zinc/78/73/50/378787350.db2.gz IUPHUCXNNWWLHK-DZOHQFGASA-N 2 1 288.435 2.400 20 0 CEADMP OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453074425 378795226 /nfs/dbraw/zinc/79/52/26/378795226.db2.gz GJJACNTXFCQHFC-GVDBMIGSSA-N 2 1 274.408 2.012 20 0 CEADMP COCC[N@@H+](Cc1cccs1)C[C@@H]1CCC[NH2+]C1 ZINC000346843064 218031782 /nfs/dbraw/zinc/03/17/82/218031782.db2.gz JHVCEPIUKAKUKQ-CYBMUJFWSA-N 2 1 268.426 2.196 20 0 CEADMP COCC[N@H+](Cc1cccs1)C[C@@H]1CCC[NH2+]C1 ZINC000346843064 218031785 /nfs/dbraw/zinc/03/17/85/218031785.db2.gz JHVCEPIUKAKUKQ-CYBMUJFWSA-N 2 1 268.426 2.196 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346843901 218033856 /nfs/dbraw/zinc/03/38/56/218033856.db2.gz XZWKRDUYAOAVIP-JWZBEHFJSA-N 2 1 274.408 2.468 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC)C23CCC3)[C@H](C)C1 ZINC000453121218 378811786 /nfs/dbraw/zinc/81/17/86/378811786.db2.gz ODJKJZUWJKKYDE-BARDWOONSA-N 2 1 266.429 2.264 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c3NCC4)C[C@H]21 ZINC000346833766 218028751 /nfs/dbraw/zinc/02/87/51/218028751.db2.gz MOEIGPZKRHJNIW-NUEKZKHPSA-N 2 1 271.408 2.214 20 0 CEADMP Cc1ncc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1-c1ccccc1 ZINC000346837107 218030094 /nfs/dbraw/zinc/03/00/94/218030094.db2.gz PEKSCUQNERROCJ-ZFWWWQNUSA-N 2 1 284.407 2.350 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000346848857 218035892 /nfs/dbraw/zinc/03/58/92/218035892.db2.gz OKARJAQSWLXARN-KKUMJFAQSA-N 2 1 290.407 2.263 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000453289384 378856074 /nfs/dbraw/zinc/85/60/74/378856074.db2.gz MIADVSCMKXAIMT-HYVNUMGLSA-N 2 1 276.424 2.174 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(CC)COC2)[C@@H](C)C1 ZINC000453347221 378869844 /nfs/dbraw/zinc/86/98/44/378869844.db2.gz FFERAFAIHAIPMY-HOTGVXAUSA-N 2 1 298.471 2.140 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C1CC1 ZINC000453400448 378888995 /nfs/dbraw/zinc/88/89/95/378888995.db2.gz MJVPGWVOEQARAO-OAGGEKHMSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c2nccn21 ZINC000453363511 378874032 /nfs/dbraw/zinc/87/40/32/378874032.db2.gz RPDRNWNFTOVSRL-ZSAUSMIDSA-N 2 1 274.412 2.351 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c2nccn21 ZINC000453363511 378874039 /nfs/dbraw/zinc/87/40/39/378874039.db2.gz RPDRNWNFTOVSRL-ZSAUSMIDSA-N 2 1 274.412 2.351 20 0 CEADMP C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346967538 218072482 /nfs/dbraw/zinc/07/24/82/218072482.db2.gz DCGBXHGUVSCWFH-KEYYUXOJSA-N 2 1 274.408 2.310 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000346972730 218074184 /nfs/dbraw/zinc/07/41/84/218074184.db2.gz HSBKIXKVAOOBGS-VXGBXAGGSA-N 2 1 253.415 2.178 20 0 CEADMP CC1(C)C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000453449146 378907976 /nfs/dbraw/zinc/90/79/76/378907976.db2.gz ZQJXRFLWOJPCCS-QLFBSQMISA-N 2 1 266.429 2.408 20 0 CEADMP Cc1[nH]nc2ncc(C[NH2+]CCCC[N@H+](C)C3CC3)cc12 ZINC000453592359 378914844 /nfs/dbraw/zinc/91/48/44/378914844.db2.gz DXEVNUHLNLMBPX-UHFFFAOYSA-N 2 1 287.411 2.230 20 0 CEADMP CC(C)([NH3+])C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000346992546 218083945 /nfs/dbraw/zinc/08/39/45/218083945.db2.gz UTNDXDOFAHHYAH-UHFFFAOYSA-N 2 1 254.418 2.395 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC[C@@H]1CCC[NH2+]C1 ZINC000346998962 218087170 /nfs/dbraw/zinc/08/71/70/218087170.db2.gz XXGVHUWFBIHPEP-QGZVFWFLSA-N 2 1 289.467 2.486 20 0 CEADMP CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000346998962 218087171 /nfs/dbraw/zinc/08/71/71/218087171.db2.gz XXGVHUWFBIHPEP-QGZVFWFLSA-N 2 1 289.467 2.486 20 0 CEADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(C2CCCCC2)n1 ZINC000347031221 218099206 /nfs/dbraw/zinc/09/92/06/218099206.db2.gz YMPFTSWRYGZQJI-ZDUSSCGKSA-N 2 1 276.428 2.248 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(C2CCCCC2)n1 ZINC000347031221 218099208 /nfs/dbraw/zinc/09/92/08/218099208.db2.gz YMPFTSWRYGZQJI-ZDUSSCGKSA-N 2 1 276.428 2.248 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnc(-c3ccccn3)s2)CC[C@@H]1[NH3+] ZINC000347036543 218100695 /nfs/dbraw/zinc/10/06/95/218100695.db2.gz GZJZMKRMTBBQKY-YPMHNXCESA-N 2 1 288.420 2.374 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccn3)s2)CC[C@@H]1[NH3+] ZINC000347036543 218100697 /nfs/dbraw/zinc/10/06/97/218100697.db2.gz GZJZMKRMTBBQKY-YPMHNXCESA-N 2 1 288.420 2.374 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000347046531 218104703 /nfs/dbraw/zinc/10/47/03/218104703.db2.gz OOWUBJWWVWROFM-BVBSBALXSA-N 2 1 252.308 2.259 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000347046531 218104706 /nfs/dbraw/zinc/10/47/06/218104706.db2.gz OOWUBJWWVWROFM-BVBSBALXSA-N 2 1 252.308 2.259 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347058625 218107612 /nfs/dbraw/zinc/10/76/12/218107612.db2.gz WTQWSGJBISUHCG-CYBMUJFWSA-N 2 1 288.370 2.182 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347058625 218107614 /nfs/dbraw/zinc/10/76/14/218107614.db2.gz WTQWSGJBISUHCG-CYBMUJFWSA-N 2 1 288.370 2.182 20 0 CEADMP CCOCc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000347059444 218108752 /nfs/dbraw/zinc/10/87/52/218108752.db2.gz WZRUITKHLHTSCJ-XJKSGUPXSA-N 2 1 292.423 2.401 20 0 CEADMP CCOCc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000347059444 218108753 /nfs/dbraw/zinc/10/87/53/218108753.db2.gz WZRUITKHLHTSCJ-XJKSGUPXSA-N 2 1 292.423 2.401 20 0 CEADMP CCC[N@@H+](Cc1ccc(OC)c(O)c1)C1CC[NH2+]CC1 ZINC000347109751 218124367 /nfs/dbraw/zinc/12/43/67/218124367.db2.gz PFGDSEGNQZAAHV-UHFFFAOYSA-N 2 1 278.396 2.365 20 0 CEADMP COC1CC([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000347255149 218170832 /nfs/dbraw/zinc/17/08/32/218170832.db2.gz DVESKMREFXFAGI-DGKWVBSXSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCCCO2)CC[N@@H+]1C ZINC000347429666 218231926 /nfs/dbraw/zinc/23/19/26/218231926.db2.gz BWPDGWQFFCFADR-KFWWJZLASA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCCCO2)CC[N@H+]1C ZINC000347429666 218231928 /nfs/dbraw/zinc/23/19/28/218231928.db2.gz BWPDGWQFFCFADR-KFWWJZLASA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CCCCO2)CC[NH+]1C ZINC000347429666 218231930 /nfs/dbraw/zinc/23/19/30/218231930.db2.gz BWPDGWQFFCFADR-KFWWJZLASA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CCCCO2)CC[NH+]1C ZINC000347429666 218231933 /nfs/dbraw/zinc/23/19/33/218231933.db2.gz BWPDGWQFFCFADR-KFWWJZLASA-N 2 1 254.418 2.360 20 0 CEADMP CCOC1CC([N@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC000347457235 218242146 /nfs/dbraw/zinc/24/21/46/218242146.db2.gz UBZYBSHYIALDMQ-UHFFFAOYSA-N 2 1 265.401 2.471 20 0 CEADMP CCOC1CC([N@@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC000347457235 218242149 /nfs/dbraw/zinc/24/21/49/218242149.db2.gz UBZYBSHYIALDMQ-UHFFFAOYSA-N 2 1 265.401 2.471 20 0 CEADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000515347759 379206866 /nfs/dbraw/zinc/20/68/66/379206866.db2.gz NBWFFUGPWKYYRI-QBIMZIAESA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000515347759 379206872 /nfs/dbraw/zinc/20/68/72/379206872.db2.gz NBWFFUGPWKYYRI-QBIMZIAESA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCCC1CCOCC1 ZINC000302237195 379342275 /nfs/dbraw/zinc/34/22/75/379342275.db2.gz AWCSUVYQOIQMAJ-DZGCQCFKSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCCC1CCOCC1 ZINC000302237197 379342537 /nfs/dbraw/zinc/34/25/37/379342537.db2.gz AWCSUVYQOIQMAJ-UKRRQHHQSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cn1 ZINC000278993519 194243628 /nfs/dbraw/zinc/24/36/28/194243628.db2.gz QHOBXYMBEBUBHR-VXGBXAGGSA-N 2 1 274.343 2.330 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347680204 218318482 /nfs/dbraw/zinc/31/84/82/218318482.db2.gz VEKFYTUCSDHZEM-CYBMUJFWSA-N 2 1 296.484 2.121 20 0 CEADMP COC[C@@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000525999019 379692662 /nfs/dbraw/zinc/69/26/62/379692662.db2.gz CCYZEFNVJDLWAF-RYQLBKOJSA-N 2 1 288.435 2.333 20 0 CEADMP COC[C@@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000525999019 379692664 /nfs/dbraw/zinc/69/26/64/379692664.db2.gz CCYZEFNVJDLWAF-RYQLBKOJSA-N 2 1 288.435 2.333 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000305182202 379675350 /nfs/dbraw/zinc/67/53/50/379675350.db2.gz WMTNCBKVEPGDKI-PVAVHDDUSA-N 2 1 276.424 2.430 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000305182202 379675353 /nfs/dbraw/zinc/67/53/53/379675353.db2.gz WMTNCBKVEPGDKI-PVAVHDDUSA-N 2 1 276.424 2.430 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000305658882 379726136 /nfs/dbraw/zinc/72/61/36/379726136.db2.gz XFIIJXVHQCWWGS-HUUCEWRRSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000305658882 379726139 /nfs/dbraw/zinc/72/61/39/379726139.db2.gz XFIIJXVHQCWWGS-HUUCEWRRSA-N 2 1 265.401 2.065 20 0 CEADMP C[NH+]1CCC(NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527751106 379807423 /nfs/dbraw/zinc/80/74/23/379807423.db2.gz HADMUNUMFODDAG-MRXNPFEDSA-N 2 1 265.445 2.077 20 0 CEADMP CCC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)OCC ZINC000527926545 379849519 /nfs/dbraw/zinc/84/95/19/379849519.db2.gz ALYNBGAAUOCKBR-OAHLLOKOSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457511633 379824664 /nfs/dbraw/zinc/82/46/64/379824664.db2.gz FWYBNMSNQQTWDI-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC4COC4)[C@@H]3C2)cc1 ZINC000528028260 379881506 /nfs/dbraw/zinc/88/15/06/379881506.db2.gz VIXDUBYCYFYUQP-KSZLIROESA-N 2 1 286.419 2.133 20 0 CEADMP COCCC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000528576551 380021630 /nfs/dbraw/zinc/02/16/30/380021630.db2.gz AGVXXUCCIJUBCR-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC000347895250 218392266 /nfs/dbraw/zinc/39/22/66/218392266.db2.gz DODJDKQIOIPNAE-CQSZACIVSA-N 2 1 256.434 2.369 20 0 CEADMP Cc1cc[nH+]c(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000268311021 190394025 /nfs/dbraw/zinc/39/40/25/190394025.db2.gz JZDNKFYDINKSNX-CQSZACIVSA-N 2 1 275.396 2.303 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CO)C1CCCCC1 ZINC000542912471 380323311 /nfs/dbraw/zinc/32/33/11/380323311.db2.gz LMOIABDHLMTKOH-HNNXBMFYSA-N 2 1 265.401 2.112 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491595599 380337234 /nfs/dbraw/zinc/33/72/34/380337234.db2.gz BTJKIYWQVOQWDT-AWEZNQCLSA-N 2 1 286.423 2.468 20 0 CEADMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cnn1C ZINC000544480929 380355874 /nfs/dbraw/zinc/35/58/74/380355874.db2.gz BNOHEPPHWMLRBM-TZMCWYRMSA-N 2 1 264.417 2.254 20 0 CEADMP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cnn1C ZINC000544480929 380355877 /nfs/dbraw/zinc/35/58/77/380355877.db2.gz BNOHEPPHWMLRBM-TZMCWYRMSA-N 2 1 264.417 2.254 20 0 CEADMP Cc1c(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cnn1C ZINC000334452573 380432748 /nfs/dbraw/zinc/43/27/48/380432748.db2.gz YSUAJQYJLZAZMM-PBHICJAKSA-N 2 1 288.439 2.177 20 0 CEADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548389125 380509489 /nfs/dbraw/zinc/50/94/89/380509489.db2.gz PHYXQIMXAVJLCN-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H]1CC[NH+](C)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548389125 380509492 /nfs/dbraw/zinc/50/94/92/380509492.db2.gz PHYXQIMXAVJLCN-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H]1CC[NH+](C)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548389125 380509496 /nfs/dbraw/zinc/50/94/96/380509496.db2.gz PHYXQIMXAVJLCN-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccsc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000334481031 380473064 /nfs/dbraw/zinc/47/30/64/380473064.db2.gz UYNBPQCNCLOJRO-ZBFHGGJFSA-N 2 1 293.480 2.206 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccsc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000334481031 380473070 /nfs/dbraw/zinc/47/30/70/380473070.db2.gz UYNBPQCNCLOJRO-ZBFHGGJFSA-N 2 1 293.480 2.206 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000334530022 380540329 /nfs/dbraw/zinc/54/03/29/380540329.db2.gz FXTSWILFCKPEKL-MRXNPFEDSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000334530022 380540335 /nfs/dbraw/zinc/54/03/35/380540335.db2.gz FXTSWILFCKPEKL-MRXNPFEDSA-N 2 1 266.429 2.362 20 0 CEADMP Oc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000334566050 380605296 /nfs/dbraw/zinc/60/52/96/380605296.db2.gz XGOWALZLINEYNO-AWEZNQCLSA-N 2 1 272.392 2.076 20 0 CEADMP C[C@H](CCC1CC1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000186320641 270249253 /nfs/dbraw/zinc/24/92/53/270249253.db2.gz CRIBMLZIMFTINC-OAHLLOKOSA-N 2 1 281.488 2.428 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000552100189 380684741 /nfs/dbraw/zinc/68/47/41/380684741.db2.gz BGXCTKIRYGIHOX-OWCLPIDISA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000552100189 380684744 /nfs/dbraw/zinc/68/47/44/380684744.db2.gz BGXCTKIRYGIHOX-OWCLPIDISA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000552100189 380684746 /nfs/dbraw/zinc/68/47/46/380684746.db2.gz BGXCTKIRYGIHOX-OWCLPIDISA-N 2 1 267.461 2.181 20 0 CEADMP C1CC2(CCOCC2)[C@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000554560776 380783432 /nfs/dbraw/zinc/78/34/32/380783432.db2.gz GLPGRRBAYPUHCM-KKUMJFAQSA-N 2 1 264.413 2.162 20 0 CEADMP C1CC2(CCOCC2)[C@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000554560776 380783434 /nfs/dbraw/zinc/78/34/34/380783434.db2.gz GLPGRRBAYPUHCM-KKUMJFAQSA-N 2 1 264.413 2.162 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1nn(C)c2ccccc12 ZINC000359989476 220277304 /nfs/dbraw/zinc/27/73/04/220277304.db2.gz YIVZFQHQVNDMFQ-DZGCQCFKSA-N 2 1 286.423 2.046 20 0 CEADMP CCc1cc(N2CC[C@@H](c3[nH+]ccn3C)C2)cc[nH+]1 ZINC000334775113 207055519 /nfs/dbraw/zinc/05/55/19/207055519.db2.gz JEDLBJYWMDXSNP-GFCCVEGCSA-N 2 1 256.353 2.371 20 0 CEADMP C[NH+](C)Cc1cnc(CN2CCC[C@H]([NH+](C)C)CC2)s1 ZINC000348422252 218614500 /nfs/dbraw/zinc/61/45/00/218614500.db2.gz NVSAUHCWAOFKRZ-ZDUSSCGKSA-N 2 1 296.484 2.121 20 0 CEADMP CC(C)([NH3+])C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000334855128 207192200 /nfs/dbraw/zinc/19/22/00/207192200.db2.gz SENXZZXTKJKARP-UHFFFAOYSA-N 2 1 274.408 2.288 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000337356388 285013533 /nfs/dbraw/zinc/01/35/33/285013533.db2.gz AOQBWNPSIUXNCV-NUEKZKHPSA-N 2 1 266.429 2.266 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335270223 208068153 /nfs/dbraw/zinc/06/81/53/208068153.db2.gz RFDZHDBIXLRWNR-GASCZTMLSA-N 2 1 287.407 2.076 20 0 CEADMP CC(C)n1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)n1 ZINC000335282139 208094534 /nfs/dbraw/zinc/09/45/34/208094534.db2.gz SDJAQDPMIKIGLJ-AWEZNQCLSA-N 2 1 276.428 2.428 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289411888 197335093 /nfs/dbraw/zinc/33/50/93/197335093.db2.gz HYGYUNVSLFRZEY-BMGDILEWSA-N 2 1 288.435 2.258 20 0 CEADMP Cc1cccc([C@@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)c1 ZINC000289309196 197292240 /nfs/dbraw/zinc/29/22/40/197292240.db2.gz CLABHGQOHCZPJY-SJLPKXTDSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1cccc([C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)c1 ZINC000289309196 197292241 /nfs/dbraw/zinc/29/22/41/197292241.db2.gz CLABHGQOHCZPJY-SJLPKXTDSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1cccc([C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000289309196 197292242 /nfs/dbraw/zinc/29/22/42/197292242.db2.gz CLABHGQOHCZPJY-SJLPKXTDSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1cccc([C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000289309196 197292243 /nfs/dbraw/zinc/29/22/43/197292243.db2.gz CLABHGQOHCZPJY-SJLPKXTDSA-N 2 1 288.435 2.239 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000355509440 285194291 /nfs/dbraw/zinc/19/42/91/285194291.db2.gz PKDVTDYZPVHXAD-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP O[C@H]1CC[N@H+](CCC[NH+]2CCCC2)Cc2ccccc21 ZINC000376349904 285365668 /nfs/dbraw/zinc/36/56/68/285365668.db2.gz KUBFDFFYNBQVRN-KRWDZBQOSA-N 2 1 274.408 2.412 20 0 CEADMP O[C@H]1CC[N@@H+](CCC[NH+]2CCCC2)Cc2ccccc21 ZINC000376349904 285365669 /nfs/dbraw/zinc/36/56/69/285365669.db2.gz KUBFDFFYNBQVRN-KRWDZBQOSA-N 2 1 274.408 2.412 20 0 CEADMP COc1ccc(C[NH2+]CCC[NH+](C)C)c(C)c1OC ZINC000342094463 130257210 /nfs/dbraw/zinc/25/72/10/130257210.db2.gz ZCGLSURPJJEDDC-UHFFFAOYSA-N 2 1 266.385 2.054 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C[C@H]1C[NH3+] ZINC000299993890 394453260 /nfs/dbraw/zinc/45/32/60/394453260.db2.gz MKGLGNVVIVQVEK-RBSFLKMASA-N 2 1 266.429 2.395 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000299994842 394453305 /nfs/dbraw/zinc/45/33/05/394453305.db2.gz MVTJNYKDUGROHB-HZSPNIEDSA-N 2 1 252.402 2.290 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@@H+](CC3CCC3)CC2)CC1 ZINC000420971998 394460010 /nfs/dbraw/zinc/46/00/10/394460010.db2.gz AFNWAVGARYDTOJ-UHFFFAOYSA-N 2 1 279.472 2.279 20 0 CEADMP CCCN(C)CC(=O)Nc1cccc(-n2ccnc2)c1 ZINC000355588345 394468778 /nfs/dbraw/zinc/46/87/78/394468778.db2.gz CBSQGIJRLVFLDU-UHFFFAOYSA-N 2 1 272.352 2.153 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCC(C)CC1 ZINC000304075421 394480885 /nfs/dbraw/zinc/48/08/85/394480885.db2.gz WXCKHWPLTHGLHK-AWEZNQCLSA-N 2 1 266.433 2.117 20 0 CEADMP Cc1nccn1CC[N@@H+]1CCC[C@@]1(CO)CC(C)C ZINC000355727462 394514786 /nfs/dbraw/zinc/51/47/86/394514786.db2.gz AXHYGGAODARFFR-HNNXBMFYSA-N 2 1 265.401 2.065 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000305109942 394492380 /nfs/dbraw/zinc/49/23/80/394492380.db2.gz FKBCWPOOBBGHFZ-GZBLMMOJSA-N 2 1 256.434 2.102 20 0 CEADMP CCC[N@H+](CC(=O)N(C)C1CCCCC1)C1CC[NH2+]CC1 ZINC000037539069 394497253 /nfs/dbraw/zinc/49/72/53/394497253.db2.gz XDERWPXMRTWSJN-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@@H+](CC(=O)N(C)C1CCCCC1)C1CC[NH2+]CC1 ZINC000037539069 394497254 /nfs/dbraw/zinc/49/72/54/394497254.db2.gz XDERWPXMRTWSJN-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000355677881 394498600 /nfs/dbraw/zinc/49/86/00/394498600.db2.gz YBAWUVNISABOJC-KLHDSHLOSA-N 2 1 266.429 2.408 20 0 CEADMP CC(=O)N1CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000040668831 394500552 /nfs/dbraw/zinc/50/05/52/394500552.db2.gz OSNYZBBULLINMY-YOEHRIQHSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](O)[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245710368 394504205 /nfs/dbraw/zinc/50/42/05/394504205.db2.gz ZFLXJRJQZYTYGJ-ILXRZTDVSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@H](O)[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245710368 394504206 /nfs/dbraw/zinc/50/42/06/394504206.db2.gz ZFLXJRJQZYTYGJ-ILXRZTDVSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@H](O)[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245710368 394504209 /nfs/dbraw/zinc/50/42/09/394504209.db2.gz ZFLXJRJQZYTYGJ-ILXRZTDVSA-N 2 1 254.418 2.096 20 0 CEADMP Cc1cccc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1C ZINC000057363660 394562816 /nfs/dbraw/zinc/56/28/16/394562816.db2.gz HAUOMVDLJRBZBP-QGZVFWFLSA-N 2 1 287.451 2.425 20 0 CEADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250781389 394564985 /nfs/dbraw/zinc/56/49/85/394564985.db2.gz SMQHLDPKQZRDAS-KGLIPLIRSA-N 2 1 254.418 2.002 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000251054438 394566363 /nfs/dbraw/zinc/56/63/63/394566363.db2.gz BRLXYTBKFYYZSM-CHWSQXEVSA-N 2 1 278.396 2.181 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H](C)C2)[C@H](C)C1 ZINC000356672828 394584010 /nfs/dbraw/zinc/58/40/10/394584010.db2.gz IODKCTFFIQXMAL-TUVASFSCSA-N 2 1 254.418 2.121 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCF)[C@@H](C)C1 ZINC000247279858 394528227 /nfs/dbraw/zinc/52/82/27/394528227.db2.gz SRWWXBCWVCVSAE-UONOGXRCSA-N 2 1 260.397 2.073 20 0 CEADMP CC(C)(O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309997757 394534573 /nfs/dbraw/zinc/53/45/73/394534573.db2.gz CHEJTMUTXNKWJW-SJORKVTESA-N 2 1 288.435 2.211 20 0 CEADMP CC(C)(O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309997757 394534574 /nfs/dbraw/zinc/53/45/74/394534574.db2.gz CHEJTMUTXNKWJW-SJORKVTESA-N 2 1 288.435 2.211 20 0 CEADMP CC(C)(O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309997757 394534575 /nfs/dbraw/zinc/53/45/75/394534575.db2.gz CHEJTMUTXNKWJW-SJORKVTESA-N 2 1 288.435 2.211 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCOC2)[C@@H](C)C1 ZINC000247969904 394536413 /nfs/dbraw/zinc/53/64/13/394536413.db2.gz HFJBHWWHBZIVNU-YVSFHVDLSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@]1(C)C[NH3+] ZINC000311207217 394536889 /nfs/dbraw/zinc/53/68/89/394536889.db2.gz NIMMTVSPVFSAJM-QMTHXVAHSA-N 2 1 254.324 2.382 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@@]1(C)C[NH3+] ZINC000311207217 394536890 /nfs/dbraw/zinc/53/68/90/394536890.db2.gz NIMMTVSPVFSAJM-QMTHXVAHSA-N 2 1 254.324 2.382 20 0 CEADMP COc1cc(F)cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000312275769 394541739 /nfs/dbraw/zinc/54/17/39/394541739.db2.gz PKEBCIJMMHVQGG-LBPRGKRZSA-N 2 1 278.371 2.408 20 0 CEADMP COCC[N@@H+](CCc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261733216 394606666 /nfs/dbraw/zinc/60/66/66/394606666.db2.gz HNPNOZXZITWQDP-KRWDZBQOSA-N 2 1 276.424 2.177 20 0 CEADMP COC1([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)CCCCC1 ZINC000421826733 394606768 /nfs/dbraw/zinc/60/67/68/394606768.db2.gz UNIPKPVSFIVGGC-HNNXBMFYSA-N 2 1 298.471 2.161 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCO1 ZINC000421852804 394616662 /nfs/dbraw/zinc/61/66/62/394616662.db2.gz HWGAJKACFUMICF-XLWJZTARSA-N 2 1 254.418 2.262 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358919417 394732461 /nfs/dbraw/zinc/73/24/61/394732461.db2.gz YBNIZXLCVMMBTM-CQSZACIVSA-N 2 1 264.417 2.117 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358919417 394732463 /nfs/dbraw/zinc/73/24/63/394732463.db2.gz YBNIZXLCVMMBTM-CQSZACIVSA-N 2 1 264.417 2.117 20 0 CEADMP COc1cccc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422715116 394736151 /nfs/dbraw/zinc/73/61/51/394736151.db2.gz RPMOYROMQAWFRI-ZQIUZPCESA-N 2 1 289.423 2.004 20 0 CEADMP COc1cccc(N2CC[C@H]([NH2+][C@H](C)[C@H]3CCC[NH2+]3)C2)c1 ZINC000422715109 394736249 /nfs/dbraw/zinc/73/62/49/394736249.db2.gz RPMOYROMQAWFRI-JKIFEVAISA-N 2 1 289.423 2.004 20 0 CEADMP CC[C@H](NCC[N@H+]1CCCC[C@@H]1CC)[C@@H]1CCC[NH2+]1 ZINC000422725139 394741425 /nfs/dbraw/zinc/74/14/25/394741425.db2.gz AQUBEINXRMEZBP-JYJNAYRXSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccn(C)n1 ZINC000414057184 394688057 /nfs/dbraw/zinc/68/80/57/394688057.db2.gz FNTIVKVTODWGPX-CYBMUJFWSA-N 2 1 272.396 2.333 20 0 CEADMP CC[C@H]1c2ccsc2CC[N@@H+]1CCOCC[NH3+] ZINC000357066794 394694315 /nfs/dbraw/zinc/69/43/15/394694315.db2.gz CGBDZVRMXBCYNB-LBPRGKRZSA-N 2 1 254.399 2.033 20 0 CEADMP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000357079502 394695405 /nfs/dbraw/zinc/69/54/05/394695405.db2.gz METKPKGKCUYIQQ-HEHGZKQESA-N 2 1 260.356 2.354 20 0 CEADMP CCCCC[C@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414704813 394749541 /nfs/dbraw/zinc/74/95/41/394749541.db2.gz JRZVDWZUAAZGCV-CVEARBPZSA-N 2 1 295.471 2.228 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cn1 ZINC000414079311 394697274 /nfs/dbraw/zinc/69/72/74/394697274.db2.gz SVUDFHVDLXFIGY-CYBMUJFWSA-N 2 1 288.395 2.206 20 0 CEADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000268858193 394701116 /nfs/dbraw/zinc/70/11/16/394701116.db2.gz RLHVMMFYKWAGQL-RDJZCZTQSA-N 2 1 274.408 2.029 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccsc2)[C@H](C)C1 ZINC000269051304 394709814 /nfs/dbraw/zinc/70/98/14/394709814.db2.gz XUEWQZGHDSMIRC-XBFCOCLRSA-N 2 1 268.426 2.101 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1C[NH3+] ZINC000422561230 394710882 /nfs/dbraw/zinc/71/08/82/394710882.db2.gz JYWQGYOIPNXHDO-LALPHHSUSA-N 2 1 272.396 2.368 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000422735102 394747193 /nfs/dbraw/zinc/74/71/93/394747193.db2.gz VISUZFGZZFJRQQ-SMDDNHRTSA-N 2 1 252.789 2.470 20 0 CEADMP COc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C(C)C)cc1 ZINC000358256990 394713933 /nfs/dbraw/zinc/71/39/33/394713933.db2.gz RVGDZQZFZOXCBY-DLBZAZTESA-N 2 1 292.423 2.049 20 0 CEADMP COc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C(C)C)cc1 ZINC000358256990 394713936 /nfs/dbraw/zinc/71/39/36/394713936.db2.gz RVGDZQZFZOXCBY-DLBZAZTESA-N 2 1 292.423 2.049 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)[C@@H](C)C1 ZINC000358290330 394716616 /nfs/dbraw/zinc/71/66/16/394716616.db2.gz DTAFYDCLTVPHEQ-JYJNAYRXSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000358298850 394716720 /nfs/dbraw/zinc/71/67/20/394716720.db2.gz MGLRSMIDHKAHAO-FPCVCCKLSA-N 2 1 296.455 2.033 20 0 CEADMP Cc1cccc2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cn21 ZINC000422634891 394722629 /nfs/dbraw/zinc/72/26/29/394722629.db2.gz KOVQLPRGTJOLSJ-CFVMTHIKSA-N 2 1 286.423 2.448 20 0 CEADMP Cc1cccc2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cn21 ZINC000422634891 394722632 /nfs/dbraw/zinc/72/26/32/394722632.db2.gz KOVQLPRGTJOLSJ-CFVMTHIKSA-N 2 1 286.423 2.448 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC000414189940 394726590 /nfs/dbraw/zinc/72/65/90/394726590.db2.gz RDCFRGWBLIHQBX-AEGPPILISA-N 2 1 274.408 2.235 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC000414189940 394726595 /nfs/dbraw/zinc/72/65/95/394726595.db2.gz RDCFRGWBLIHQBX-AEGPPILISA-N 2 1 274.408 2.235 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422704007 394729062 /nfs/dbraw/zinc/72/90/62/394729062.db2.gz OLFOOKWYRCJDBF-AEGPPILISA-N 2 1 254.418 2.048 20 0 CEADMP COc1ccc2c(c1)OCC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000414760170 394751072 /nfs/dbraw/zinc/75/10/72/394751072.db2.gz GMIVBPWLTVFXKT-UONOGXRCSA-N 2 1 290.407 2.278 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000414800639 394751810 /nfs/dbraw/zinc/75/18/10/394751810.db2.gz SJEORNAPYRKJKG-MFKMUULPSA-N 2 1 278.787 2.205 20 0 CEADMP C[C@H]([NH3+])CC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414822996 394753493 /nfs/dbraw/zinc/75/34/93/394753493.db2.gz NXCPWHFDNQEZBU-AWEZNQCLSA-N 2 1 293.430 2.160 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCCCC2)CC12CCOCC2 ZINC000335259504 394755026 /nfs/dbraw/zinc/75/50/26/394755026.db2.gz WIWDWDFCUJXIMP-OAHLLOKOSA-N 2 1 266.429 2.254 20 0 CEADMP CN(C)C(=O)CC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000118951708 394762765 /nfs/dbraw/zinc/76/27/65/394762765.db2.gz JNVRHNTVUREFIM-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000422759847 394764407 /nfs/dbraw/zinc/76/44/07/394764407.db2.gz KGCOMPIYCDHWMB-QWHCGFSZSA-N 2 1 258.369 2.088 20 0 CEADMP C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1c[nH+]ccc1N ZINC000422761638 394765809 /nfs/dbraw/zinc/76/58/09/394765809.db2.gz RIDQRIVKTQIFLW-LBPRGKRZSA-N 2 1 299.374 2.159 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422760978 394765877 /nfs/dbraw/zinc/76/58/77/394765877.db2.gz MKXJHSZTQWWRAH-SOABOVLPSA-N 2 1 285.435 2.134 20 0 CEADMP c1ccc(CN2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422760978 394765881 /nfs/dbraw/zinc/76/58/81/394765881.db2.gz MKXJHSZTQWWRAH-SOABOVLPSA-N 2 1 285.435 2.134 20 0 CEADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414848112 394768229 /nfs/dbraw/zinc/76/82/29/394768229.db2.gz PMZJFZBAQSBBKA-FZMZJTMJSA-N 2 1 295.814 2.399 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422769145 394771509 /nfs/dbraw/zinc/77/15/09/394771509.db2.gz UOTLFXCZHFRIGG-NXHRZFHOSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000422769145 394771511 /nfs/dbraw/zinc/77/15/11/394771511.db2.gz UOTLFXCZHFRIGG-NXHRZFHOSA-N 2 1 287.451 2.239 20 0 CEADMP COCc1cccc(C[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000414855602 394772355 /nfs/dbraw/zinc/77/23/55/394772355.db2.gz XHBPVOHVRDWCKO-HNNXBMFYSA-N 2 1 250.386 2.296 20 0 CEADMP C[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000414853955 394772911 /nfs/dbraw/zinc/77/29/11/394772911.db2.gz LOYXBHPXGWUDNG-NWDGAFQWSA-N 2 1 292.814 2.465 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOC1CCCC1 ZINC000422771937 394773113 /nfs/dbraw/zinc/77/31/13/394773113.db2.gz WKKILRKRESSHDY-WMLDXEAASA-N 2 1 276.424 2.494 20 0 CEADMP C[C@@H]([NH2+]Cc1ccccc1OCC1CC1)C1C[NH2+]C1 ZINC000422774237 394774190 /nfs/dbraw/zinc/77/41/90/394774190.db2.gz WFEKFTNZZLOUHU-GFCCVEGCSA-N 2 1 260.381 2.173 20 0 CEADMP C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1c[nH+]ccc1N ZINC000422775752 394775281 /nfs/dbraw/zinc/77/52/81/394775281.db2.gz CFLBFADLHSIEHH-DZGCQCFKSA-N 2 1 285.391 2.311 20 0 CEADMP C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000414860853 394775724 /nfs/dbraw/zinc/77/57/24/394775724.db2.gz WAQSVPQTBQLCQC-JSGCOSHPSA-N 2 1 264.417 2.116 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CCC[NH2+]C1 ZINC000414866472 394779012 /nfs/dbraw/zinc/77/90/12/394779012.db2.gz MYRJWPPZIUUQGN-KRWDZBQOSA-N 2 1 289.467 2.486 20 0 CEADMP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414870861 394780857 /nfs/dbraw/zinc/78/08/57/394780857.db2.gz SYWSSEZKNCTCMM-WFASDCNBSA-N 2 1 250.361 2.488 20 0 CEADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]CC(C)C)cc1 ZINC000414876443 394783101 /nfs/dbraw/zinc/78/31/01/394783101.db2.gz DLZWEPOUNXZHNI-JKSUJKDBSA-N 2 1 262.397 2.386 20 0 CEADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[NH2+]C1)CC3 ZINC000335642410 394784231 /nfs/dbraw/zinc/78/42/31/394784231.db2.gz JSZCGQQIYGLCRP-CHWSQXEVSA-N 2 1 269.392 2.285 20 0 CEADMP COCc1cccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000414879014 394784317 /nfs/dbraw/zinc/78/43/17/394784317.db2.gz OHTIZVZCZFEEDY-UHFFFAOYSA-N 2 1 299.418 2.498 20 0 CEADMP CCC[NH2+]CC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000414877609 394784595 /nfs/dbraw/zinc/78/45/95/394784595.db2.gz YBZYCRMFSMUIOU-OAHLLOKOSA-N 2 1 262.397 2.142 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])N1CCC(C)CC1 ZINC000422790021 394788554 /nfs/dbraw/zinc/78/85/54/394788554.db2.gz UMOYLSJZYLJBJW-PMPSAXMXSA-N 2 1 267.461 2.214 20 0 CEADMP COc1ccc(C[NH2+][C@H](C)CC[NH3+])c(Cl)c1OC ZINC000414886321 394788881 /nfs/dbraw/zinc/78/88/81/394788881.db2.gz PJGVQTSUFGLWEM-SECBINFHSA-N 2 1 272.776 2.184 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422794160 394791254 /nfs/dbraw/zinc/79/12/54/394791254.db2.gz YIIYBHQATIDRBN-IAGOWNOFSA-N 3 1 273.424 2.252 20 0 CEADMP COc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1Cl ZINC000414894029 394792660 /nfs/dbraw/zinc/79/26/60/394792660.db2.gz YULLWTQRLXOVQL-UHFFFAOYSA-N 2 1 254.761 2.320 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000414893416 394792879 /nfs/dbraw/zinc/79/28/79/394792879.db2.gz YHKXSDMOYXQRLA-LBPRGKRZSA-N 2 1 265.376 2.110 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000414899277 394794487 /nfs/dbraw/zinc/79/44/87/394794487.db2.gz UPPDQYQENXMCGV-GFCCVEGCSA-N 2 1 274.286 2.412 20 0 CEADMP C[C@]1(C[NH2+]Cc2cccc3c2OCCCO3)CCC[NH2+]C1 ZINC000414899012 394794933 /nfs/dbraw/zinc/79/49/33/394794933.db2.gz GOCZIQOJRVMIKP-KRWDZBQOSA-N 2 1 290.407 2.327 20 0 CEADMP C[C@@H](N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422798578 394795002 /nfs/dbraw/zinc/79/50/02/394795002.db2.gz RVXRNWGNFRIPJT-PVAVHDDUSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@H](NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422800709 394795767 /nfs/dbraw/zinc/79/57/67/394795767.db2.gz CREHYVRIEKNHON-FPMFFAJLSA-N 2 1 267.442 2.081 20 0 CEADMP C[C@@H](NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000422800707 394795941 /nfs/dbraw/zinc/79/59/41/394795941.db2.gz CREHYVRIEKNHON-BNOWGMLFSA-N 2 1 267.442 2.081 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[NH+]1CCCCCC1 ZINC000422801335 394796370 /nfs/dbraw/zinc/79/63/70/394796370.db2.gz BSILVNWUZGJKOF-CQSZACIVSA-N 2 1 290.455 2.375 20 0 CEADMP C[C@H]([NH2+]CCN(C)c1ccccc1)c1c[nH+]ccc1N ZINC000422802424 394797716 /nfs/dbraw/zinc/79/77/16/394797716.db2.gz BIJFZEHUDVBKHC-ZDUSSCGKSA-N 2 1 270.380 2.281 20 0 CEADMP C[C@@H]([NH2+]CCN(C)c1ccccc1)c1c[nH+]ccc1N ZINC000422802423 394798000 /nfs/dbraw/zinc/79/80/00/394798000.db2.gz BIJFZEHUDVBKHC-CYBMUJFWSA-N 2 1 270.380 2.281 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C12CCCC2 ZINC000422803196 394798045 /nfs/dbraw/zinc/79/80/45/394798045.db2.gz IIEMTYWJMKJGFT-LJISPDSOSA-N 2 1 266.429 2.312 20 0 CEADMP Cc1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])nc2c1 ZINC000422810508 394802530 /nfs/dbraw/zinc/80/25/30/394802530.db2.gz NIARNASELGRBIP-NWDGAFQWSA-N 2 1 258.369 2.088 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])[nH]c2c1 ZINC000422810508 394802536 /nfs/dbraw/zinc/80/25/36/394802536.db2.gz NIARNASELGRBIP-NWDGAFQWSA-N 2 1 258.369 2.088 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000422813170 394805607 /nfs/dbraw/zinc/80/56/07/394805607.db2.gz XQOZWINQZFHXMZ-AEFFLSMTSA-N 2 1 287.451 2.152 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000422813170 394805611 /nfs/dbraw/zinc/80/56/11/394805611.db2.gz XQOZWINQZFHXMZ-AEFFLSMTSA-N 2 1 287.451 2.152 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)C1 ZINC000360881959 394810291 /nfs/dbraw/zinc/81/02/91/394810291.db2.gz DQEVKFRHGMMMHC-SJLPKXTDSA-N 2 1 288.435 2.455 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)C1 ZINC000360881959 394810295 /nfs/dbraw/zinc/81/02/95/394810295.db2.gz DQEVKFRHGMMMHC-SJLPKXTDSA-N 2 1 288.435 2.455 20 0 CEADMP CC[C@@H]([NH2+]CCOc1ccc(F)cc1F)[C@@H]1CCC[NH2+]1 ZINC000422821816 394812068 /nfs/dbraw/zinc/81/20/68/394812068.db2.gz YQNJBXCDVABPOY-KGLIPLIRSA-N 2 1 284.350 2.464 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1c[nH+]ccc1N ZINC000422823106 394812962 /nfs/dbraw/zinc/81/29/62/394812962.db2.gz LDPFQHXZBPNGEZ-TUKIKUTGSA-N 2 1 263.385 2.086 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000414940515 394813265 /nfs/dbraw/zinc/81/32/65/394813265.db2.gz BQJUBWRQTXITDM-HIFRSBDPSA-N 2 1 276.428 2.156 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422824825 394813794 /nfs/dbraw/zinc/81/37/94/394813794.db2.gz ONZIUARDCYOMBL-PBHICJAKSA-N 2 1 284.407 2.002 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)CC[N@@H+]1C ZINC000123271920 394825753 /nfs/dbraw/zinc/82/57/53/394825753.db2.gz XDTSHLIYDRXTRD-BBRMVZONSA-N 2 1 299.418 2.443 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)CC[N@H+]1C ZINC000123271920 394825758 /nfs/dbraw/zinc/82/57/58/394825758.db2.gz XDTSHLIYDRXTRD-BBRMVZONSA-N 2 1 299.418 2.443 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3ccccc3[nH]c2=O)CC[NH+]1C ZINC000123271920 394825763 /nfs/dbraw/zinc/82/57/63/394825763.db2.gz XDTSHLIYDRXTRD-BBRMVZONSA-N 2 1 299.418 2.443 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)CC[NH+]1C ZINC000123271920 394825765 /nfs/dbraw/zinc/82/57/65/394825765.db2.gz XDTSHLIYDRXTRD-BBRMVZONSA-N 2 1 299.418 2.443 20 0 CEADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414942577 394814506 /nfs/dbraw/zinc/81/45/06/394814506.db2.gz ZUGYDGHLSYZSSM-UMVBOHGHSA-N 2 1 290.407 2.324 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000122720767 394816644 /nfs/dbraw/zinc/81/66/44/394816644.db2.gz GRLCZBNEIZEAJV-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cnc(-c3ccncc3)s2)CC[NH2+]1 ZINC000414948515 394817754 /nfs/dbraw/zinc/81/77/54/394817754.db2.gz MFPZKAFGOKRWJV-DGCLKSJQSA-N 2 1 288.420 2.435 20 0 CEADMP Cc1csc(N2CCC([NH2+][C@@H]3CCC[NH2+][C@@H]3C)CC2)n1 ZINC000414950041 394819426 /nfs/dbraw/zinc/81/94/26/394819426.db2.gz HBMUQJQVEMGKLW-TZMCWYRMSA-N 2 1 294.468 2.150 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000414952242 394821315 /nfs/dbraw/zinc/82/13/15/394821315.db2.gz IMXWHPONJVTZAF-CHWSQXEVSA-N 2 1 280.412 2.222 20 0 CEADMP c1csc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415048890 394864001 /nfs/dbraw/zinc/86/40/01/394864001.db2.gz GLVQQFWVZBTONH-UHFFFAOYSA-N 2 1 279.453 2.054 20 0 CEADMP C[C@@H]1C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C[C@@]1(C)C[NH3+] ZINC000415050907 394864901 /nfs/dbraw/zinc/86/49/01/394864901.db2.gz DVRKVLPPJQTPIX-CXAGYDPISA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C[C@@]1(C)C[NH3+] ZINC000415050907 394864904 /nfs/dbraw/zinc/86/49/04/394864904.db2.gz DVRKVLPPJQTPIX-CXAGYDPISA-N 2 1 284.407 2.493 20 0 CEADMP CC[C@@H]([NH2+]CCOc1cccc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000422928719 394865602 /nfs/dbraw/zinc/86/56/02/394865602.db2.gz MGBMJMBCEACUEQ-CVEARBPZSA-N 2 1 262.397 2.494 20 0 CEADMP C[N@@H+](Cc1ccc(-c2ccc(F)cc2)s1)C[C@H](O)C[NH3+] ZINC000415052598 394866352 /nfs/dbraw/zinc/86/63/52/394866352.db2.gz IHHOSYORQCZUSE-CYBMUJFWSA-N 2 1 294.395 2.306 20 0 CEADMP C[N@H+](Cc1ccc(-c2ccc(F)cc2)s1)C[C@H](O)C[NH3+] ZINC000415052598 394866357 /nfs/dbraw/zinc/86/63/57/394866357.db2.gz IHHOSYORQCZUSE-CYBMUJFWSA-N 2 1 294.395 2.306 20 0 CEADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422969963 394870028 /nfs/dbraw/zinc/87/00/28/394870028.db2.gz VKNFRPDCOVATPT-NRUUGDAUSA-N 2 1 251.374 2.125 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000422969741 394870335 /nfs/dbraw/zinc/87/03/35/394870335.db2.gz DMICKKREKAOGSU-NXHRZFHOSA-N 2 1 289.467 2.266 20 0 CEADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)n1 ZINC000415065399 394872182 /nfs/dbraw/zinc/87/21/82/394872182.db2.gz GCJYMDVVZTYOFY-UKRRQHHQSA-N 2 1 264.417 2.127 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cn[nH]c1 ZINC000336786300 394872620 /nfs/dbraw/zinc/87/26/20/394872620.db2.gz HLNLWUNVLCIBNO-QWHCGFSZSA-N 2 1 250.390 2.325 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cn[nH]c1 ZINC000336786300 394872624 /nfs/dbraw/zinc/87/26/24/394872624.db2.gz HLNLWUNVLCIBNO-QWHCGFSZSA-N 2 1 250.390 2.325 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415069022 394872755 /nfs/dbraw/zinc/87/27/55/394872755.db2.gz RZKYDMRZDHHPPC-OAHLLOKOSA-N 2 1 278.444 2.152 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000422973071 394872926 /nfs/dbraw/zinc/87/29/26/394872926.db2.gz BDEPZSZIIAOSEU-OAGGEKHMSA-N 2 1 298.471 2.064 20 0 CEADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC[NH2+]C1CC1 ZINC000415073938 394875869 /nfs/dbraw/zinc/87/58/69/394875869.db2.gz ZHQSZLPXRXCCOR-ZFWWWQNUSA-N 3 1 253.434 2.029 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1c(C)noc1C ZINC000415083815 394881213 /nfs/dbraw/zinc/88/12/13/394881213.db2.gz FTQBKFBUHOCEPP-QWHCGFSZSA-N 2 1 251.374 2.332 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000414961342 394827467 /nfs/dbraw/zinc/82/74/67/394827467.db2.gz YWEPVVQUBFTWSU-QAPCUYQASA-N 2 1 287.451 2.381 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCN(c2nccs2)CC1 ZINC000361434621 394830102 /nfs/dbraw/zinc/83/01/02/394830102.db2.gz FJQKNIAYBFJKCC-CYBMUJFWSA-N 2 1 296.484 2.432 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000414982694 394835611 /nfs/dbraw/zinc/83/56/11/394835611.db2.gz SDQROULBNHFVCB-JTQLQIEISA-N 2 1 280.322 2.182 20 0 CEADMP CC[C@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414996919 394841469 /nfs/dbraw/zinc/84/14/69/394841469.db2.gz YLHJOUPHSDLCBP-XIRDDKMYSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422874025 394842671 /nfs/dbraw/zinc/84/26/71/394842671.db2.gz BWHKWCFRUFCQEH-XHSDSOJGSA-N 3 1 269.477 2.462 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC000363697261 394883534 /nfs/dbraw/zinc/88/35/34/394883534.db2.gz SXQFHCACSADWHA-DZGCQCFKSA-N 2 1 277.412 2.240 20 0 CEADMP C[C@H](O)C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422877547 394845009 /nfs/dbraw/zinc/84/50/09/394845009.db2.gz RQEFHICURKASHP-DIECFANBSA-N 2 1 276.424 2.129 20 0 CEADMP CCCOc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1OC ZINC000415005617 394845289 /nfs/dbraw/zinc/84/52/89/394845289.db2.gz JGKKPHWTXXMMHR-NEPJUHHUSA-N 2 1 266.385 2.309 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422880343 394847242 /nfs/dbraw/zinc/84/72/42/394847242.db2.gz WTUZDZQRLCDUAD-JKEMJCCQSA-N 2 1 271.408 2.204 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422883659 394848277 /nfs/dbraw/zinc/84/82/77/394848277.db2.gz VISXBSSFTAEHIN-LSDHHAIUSA-N 2 1 274.412 2.041 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422885872 394850336 /nfs/dbraw/zinc/85/03/36/394850336.db2.gz HMXZGNLOZAGYLB-QXSJWSMHSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422885872 394850340 /nfs/dbraw/zinc/85/03/40/394850340.db2.gz HMXZGNLOZAGYLB-QXSJWSMHSA-N 2 1 267.461 2.356 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@H](C)C1 ZINC000415028762 394854169 /nfs/dbraw/zinc/85/41/69/394854169.db2.gz ZHIKWJQXFHGTLU-FPCVCCKLSA-N 3 1 267.461 2.071 20 0 CEADMP CCN1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@H](C)C1 ZINC000415028762 394854171 /nfs/dbraw/zinc/85/41/71/394854171.db2.gz ZHIKWJQXFHGTLU-FPCVCCKLSA-N 2 1 267.461 2.071 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)C1CCCC1 ZINC000415033762 394856776 /nfs/dbraw/zinc/85/67/76/394856776.db2.gz BZFRKDHCPNWDIS-AWEZNQCLSA-N 2 1 276.380 2.065 20 0 CEADMP C[C@H]([NH2+]Cc1cc(Br)cs1)C1C[NH2+]C1 ZINC000422904074 394857087 /nfs/dbraw/zinc/85/70/87/394857087.db2.gz WWEUZURVKYFWFL-ZETCQYMHSA-N 2 1 275.215 2.208 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)C1CCCC1 ZINC000415035660 394857791 /nfs/dbraw/zinc/85/77/91/394857791.db2.gz DZSXBHOWVZRSNA-KRWDZBQOSA-N 2 1 284.407 2.479 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000422912898 394860995 /nfs/dbraw/zinc/86/09/95/394860995.db2.gz XGWFUOPPXKVDKM-SWLSCSKDSA-N 2 1 250.361 2.346 20 0 CEADMP COCc1cccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000415045372 394861837 /nfs/dbraw/zinc/86/18/37/394861837.db2.gz BPEQZLDUNXZKQT-CQSZACIVSA-N 2 1 250.386 2.296 20 0 CEADMP Cc1[nH+]c(N2CCOCC2)ccc1NC[C@H]([NH3+])CC(C)C ZINC000415095473 394887812 /nfs/dbraw/zinc/88/78/12/394887812.db2.gz ZVFJBPVHVZBLPP-CQSZACIVSA-N 2 1 292.427 2.012 20 0 CEADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)CC2 ZINC000423280730 394888722 /nfs/dbraw/zinc/88/87/22/394888722.db2.gz UMJCNZQXKUGVNM-ZIAGYGMSSA-N 2 1 278.396 2.264 20 0 CEADMP CC(C)COc1cccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000415105479 394891335 /nfs/dbraw/zinc/89/13/35/394891335.db2.gz ICYCWVZDHSSIFF-KRWDZBQOSA-N 2 1 292.423 2.271 20 0 CEADMP CC(C)COc1cccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000415105479 394891339 /nfs/dbraw/zinc/89/13/39/394891339.db2.gz ICYCWVZDHSSIFF-KRWDZBQOSA-N 2 1 292.423 2.271 20 0 CEADMP C[C@H](C[N@@H+]1CCCO[C@@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000415108316 394892565 /nfs/dbraw/zinc/89/25/65/394892565.db2.gz MEOVFYLDPLEECT-DOMZBBRYSA-N 2 1 282.815 2.493 20 0 CEADMP C[C@H](C[N@H+]1CCCO[C@@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000415108316 394892569 /nfs/dbraw/zinc/89/25/69/394892569.db2.gz MEOVFYLDPLEECT-DOMZBBRYSA-N 2 1 282.815 2.493 20 0 CEADMP C(C[NH2+]C1CC1)C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423570015 394953466 /nfs/dbraw/zinc/95/34/66/394953466.db2.gz WOXKPMCVQKCVQA-XHSDSOJGSA-N 3 1 265.445 2.029 20 0 CEADMP C[C@H](NCC(F)(F)C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423348830 394895473 /nfs/dbraw/zinc/89/54/73/394895473.db2.gz VGQDDDWUZUGQCN-ZFWWWQNUSA-N 2 1 297.393 2.081 20 0 CEADMP C[C@H](NCC(F)(F)C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423348830 394895478 /nfs/dbraw/zinc/89/54/78/394895478.db2.gz VGQDDDWUZUGQCN-ZFWWWQNUSA-N 2 1 297.393 2.081 20 0 CEADMP COCCOc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415123178 394897388 /nfs/dbraw/zinc/89/73/88/394897388.db2.gz JDFLMZMJBPYQRY-HOCLYGCPSA-N 2 1 292.423 2.129 20 0 CEADMP COCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415125401 394897402 /nfs/dbraw/zinc/89/74/02/394897402.db2.gz LDRILHJTWXFUOK-GDBMZVCRSA-N 2 1 292.423 2.129 20 0 CEADMP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415124328 394898048 /nfs/dbraw/zinc/89/80/48/394898048.db2.gz KCZWFNBTXMZRMY-QGZVFWFLSA-N 2 1 299.422 2.191 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000415135298 394901379 /nfs/dbraw/zinc/90/13/79/394901379.db2.gz QCZJMZUUTRCADV-UHFFFAOYSA-N 2 1 262.357 2.019 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000415135298 394901383 /nfs/dbraw/zinc/90/13/83/394901383.db2.gz QCZJMZUUTRCADV-UHFFFAOYSA-N 2 1 262.357 2.019 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423365837 394902032 /nfs/dbraw/zinc/90/20/32/394902032.db2.gz BYXPQWYDXAOHFC-XPABHHOTSA-N 2 1 264.413 2.064 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1O ZINC000423365255 394902083 /nfs/dbraw/zinc/90/20/83/394902083.db2.gz WIQQIUIGHZOUQQ-DGCLKSJQSA-N 2 1 264.369 2.194 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](OCC)C12CCCC2 ZINC000423367442 394903627 /nfs/dbraw/zinc/90/36/27/394903627.db2.gz ALPLIMHVCVSHQE-MCIONIFRSA-N 2 1 254.418 2.312 20 0 CEADMP CC(C)[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@H](C)[NH3+] ZINC000423377631 394907414 /nfs/dbraw/zinc/90/74/14/394907414.db2.gz VVUVFRYVDHMPCZ-GOEBONIOSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423389685 394910431 /nfs/dbraw/zinc/91/04/31/394910431.db2.gz JKSAEKCHTXIIAK-ZOWXZIJZSA-N 2 1 266.360 2.230 20 0 CEADMP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)s1 ZINC000423387300 394910607 /nfs/dbraw/zinc/91/06/07/394910607.db2.gz RWVRSKKPLOCYRW-MDZLAQPJSA-N 2 1 297.468 2.432 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc(OC)c1 ZINC000131533113 394914062 /nfs/dbraw/zinc/91/40/62/394914062.db2.gz PMAGAHAIPGUFSN-WCQYABFASA-N 2 1 264.369 2.015 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc(OC)c1 ZINC000131533113 394914066 /nfs/dbraw/zinc/91/40/66/394914066.db2.gz PMAGAHAIPGUFSN-WCQYABFASA-N 2 1 264.369 2.015 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1C[NH2+]C2 ZINC000423399766 394915481 /nfs/dbraw/zinc/91/54/81/394915481.db2.gz UZABDDDIOCAGPB-DLBZAZTESA-N 3 1 271.408 2.006 20 0 CEADMP c1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1C[NH2+]C2 ZINC000423399766 394915482 /nfs/dbraw/zinc/91/54/82/394915482.db2.gz UZABDDDIOCAGPB-DLBZAZTESA-N 2 1 271.408 2.006 20 0 CEADMP c1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1C[NH2+]C2 ZINC000423399766 394915486 /nfs/dbraw/zinc/91/54/86/394915486.db2.gz UZABDDDIOCAGPB-DLBZAZTESA-N 2 1 271.408 2.006 20 0 CEADMP Fc1ccc([C@H](C[C@H]2CCCO2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423429042 394920536 /nfs/dbraw/zinc/92/05/36/394920536.db2.gz KULAFNXOHSABQC-NRKLIOEPSA-N 2 1 290.382 2.243 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2[NH2+]CCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000423429561 394920695 /nfs/dbraw/zinc/92/06/95/394920695.db2.gz PAVIHERKTYLRBS-VJANTYMQSA-N 2 1 299.462 2.336 20 0 CEADMP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423444637 394923083 /nfs/dbraw/zinc/92/30/83/394923083.db2.gz WVQXRPVFPGOBBF-DANNLKNASA-N 2 1 260.381 2.342 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423458707 394926016 /nfs/dbraw/zinc/92/60/16/394926016.db2.gz HBMCRGCLBNOPBJ-OCCSQVGLSA-N 2 1 258.369 2.260 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(F)c1 ZINC000423491364 394934318 /nfs/dbraw/zinc/93/43/18/394934318.db2.gz JJMHQUUTZCZRGP-LSDHHAIUSA-N 2 1 266.360 2.245 20 0 CEADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423492537 394934655 /nfs/dbraw/zinc/93/46/55/394934655.db2.gz NLSQKHWIMRASGM-XFJVYGCCSA-N 2 1 278.371 2.027 20 0 CEADMP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC000284410922 394945146 /nfs/dbraw/zinc/94/51/46/394945146.db2.gz QMXFCSBVSLIEOJ-ZDUSSCGKSA-N 2 1 299.422 2.323 20 0 CEADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CCCC1 ZINC000423526567 394945968 /nfs/dbraw/zinc/94/59/68/394945968.db2.gz ZMXHKMFDHWCHCA-OOHWJJMZSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(-n2cncn2)cc1 ZINC000423535765 394947965 /nfs/dbraw/zinc/94/79/65/394947965.db2.gz YEYJKJGJLHVYNA-GUYCJALGSA-N 2 1 299.422 2.435 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2CCCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000423557712 394951808 /nfs/dbraw/zinc/95/18/08/394951808.db2.gz NOKJJUDGDVAVMZ-BPQIPLTHSA-N 2 1 287.451 2.381 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CCn2ccnc2)C[C@@H]1c1ccccc1 ZINC000340182231 394980995 /nfs/dbraw/zinc/98/09/95/394980995.db2.gz XNTDXYJLEFIWEK-IAGOWNOFSA-N 2 1 284.407 2.308 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCn2ccnc2)C[C@@H]1c1ccccc1 ZINC000340182231 394980997 /nfs/dbraw/zinc/98/09/97/394980997.db2.gz XNTDXYJLEFIWEK-IAGOWNOFSA-N 2 1 284.407 2.308 20 0 CEADMP CO[C@H](C)C[NH+]1CCCC2(CCC[N@H+](C[C@@H](C)OC)C2)C1 ZINC000368244203 394982431 /nfs/dbraw/zinc/98/24/31/394982431.db2.gz RJHKTZUNQVVEJZ-YNPPLXCJSA-N 2 1 298.471 2.234 20 0 CEADMP Cn1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340354452 394983941 /nfs/dbraw/zinc/98/39/41/394983941.db2.gz UINXINAOQLUIPN-ZWKOTPCHSA-N 2 1 298.434 2.388 20 0 CEADMP Cn1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340354452 394983944 /nfs/dbraw/zinc/98/39/44/394983944.db2.gz UINXINAOQLUIPN-ZWKOTPCHSA-N 2 1 298.434 2.388 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000423790965 394988757 /nfs/dbraw/zinc/98/87/57/394988757.db2.gz BVLHEYMQJFVGSV-BFYDXBDKSA-N 2 1 295.471 2.131 20 0 CEADMP Cc1cnn(CCCCC[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000367423721 394962432 /nfs/dbraw/zinc/96/24/32/394962432.db2.gz MXEJYYFNVKSJJQ-DLBZAZTESA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000367423721 394962436 /nfs/dbraw/zinc/96/24/36/394962436.db2.gz MXEJYYFNVKSJJQ-DLBZAZTESA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000367423721 394962440 /nfs/dbraw/zinc/96/24/40/394962440.db2.gz MXEJYYFNVKSJJQ-DLBZAZTESA-N 2 1 290.455 2.388 20 0 CEADMP Cc1cnn(CCCCC[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000367423721 394962444 /nfs/dbraw/zinc/96/24/44/394962444.db2.gz MXEJYYFNVKSJJQ-DLBZAZTESA-N 2 1 290.455 2.388 20 0 CEADMP CC(C)[C@@]1(CO)CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000339710266 394968215 /nfs/dbraw/zinc/96/82/15/394968215.db2.gz IBEKSSUXHYAWLE-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)[C@@]1(CO)CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000339710266 394968220 /nfs/dbraw/zinc/96/82/20/394968220.db2.gz IBEKSSUXHYAWLE-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)[C@@]1(CO)CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000339710266 394968222 /nfs/dbraw/zinc/96/82/22/394968222.db2.gz IBEKSSUXHYAWLE-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415915890 394977203 /nfs/dbraw/zinc/97/72/03/394977203.db2.gz AOMLEKRNJNUEAA-UHFFFAOYSA-N 2 1 292.427 2.259 20 0 CEADMP CCC1(CC)[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@@H]1OC ZINC000344274282 395052036 /nfs/dbraw/zinc/05/20/36/395052036.db2.gz BAJINALYXLXDQJ-GJZGRUSLSA-N 2 1 266.429 2.432 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158766029 395053025 /nfs/dbraw/zinc/05/30/25/395053025.db2.gz PRQBEYBANBKWSC-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158766029 395053028 /nfs/dbraw/zinc/05/30/28/395053028.db2.gz PRQBEYBANBKWSC-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158766029 395053030 /nfs/dbraw/zinc/05/30/30/395053030.db2.gz PRQBEYBANBKWSC-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCC[C@@H]2c2cccn2C)n1C ZINC000425330252 395058727 /nfs/dbraw/zinc/05/87/27/395058727.db2.gz XOCPCPMZEFRADQ-OAHLLOKOSA-N 2 1 287.411 2.162 20 0 CEADMP C1CC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373293528 395058740 /nfs/dbraw/zinc/05/87/40/395058740.db2.gz NVRBYADXCMKRCT-CQJMVSDSSA-N 2 1 276.424 2.160 20 0 CEADMP C[N@H+]1CCN(CCC[NH+]2CCCC2)C2(CCCCC2)C1 ZINC000162115238 395070315 /nfs/dbraw/zinc/07/03/15/395070315.db2.gz IMUMZBJQLSIQBZ-UHFFFAOYSA-N 2 1 279.472 2.423 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCn2ccnc2C)C1 ZINC000162072125 395070723 /nfs/dbraw/zinc/07/07/23/395070723.db2.gz IQHSHFMNBYASSV-INIZCTEOSA-N 2 1 278.444 2.245 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000162284777 395072684 /nfs/dbraw/zinc/07/26/84/395072684.db2.gz XYBFHRGFKOTMEW-STQMWFEESA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000162284777 395072687 /nfs/dbraw/zinc/07/26/87/395072687.db2.gz XYBFHRGFKOTMEW-STQMWFEESA-N 2 1 251.374 2.081 20 0 CEADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C1CC1)C(C)C ZINC000426705330 395078167 /nfs/dbraw/zinc/07/81/67/395078167.db2.gz VZRDCAYKQVHPID-INIZCTEOSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3C=CCCC3)C2)CC1 ZINC000375887026 395103045 /nfs/dbraw/zinc/10/30/45/395103045.db2.gz BJHVRGIWJWAHAA-SJORKVTESA-N 2 1 277.456 2.195 20 0 CEADMP Cc1ccsc1[C@H](CO)[NH2+]CCCn1cc[nH+]c1C ZINC000494624080 395127161 /nfs/dbraw/zinc/12/71/61/395127161.db2.gz FYVYVKZUQOXKLK-ZDUSSCGKSA-N 2 1 279.409 2.275 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494675274 395133533 /nfs/dbraw/zinc/13/35/33/395133533.db2.gz UEHJDSSTHLBQOP-HZPDHXFCSA-N 2 1 295.471 2.289 20 0 CEADMP CO[C@@]1(C)CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000348232816 395140036 /nfs/dbraw/zinc/14/00/36/395140036.db2.gz QKWAYKKKHODRRD-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@@]1(C)CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000348232816 395140040 /nfs/dbraw/zinc/14/00/40/395140040.db2.gz QKWAYKKKHODRRD-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@@]1(C)CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000348232816 395140042 /nfs/dbraw/zinc/14/00/42/395140042.db2.gz QKWAYKKKHODRRD-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@H](CO)C1 ZINC000348680008 395148605 /nfs/dbraw/zinc/14/86/05/395148605.db2.gz IYLHRWYEMBEYFK-OWYFMNJBSA-N 2 1 268.445 2.103 20 0 CEADMP CCn1cncc1CN[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000417868884 395153200 /nfs/dbraw/zinc/15/32/00/395153200.db2.gz GUVXNBZJEILGCJ-UONOGXRCSA-N 2 1 264.417 2.113 20 0 CEADMP CCn1cncc1C[NH2+][C@H](C)CN1CCC[C@H](C)C1 ZINC000417868884 395153201 /nfs/dbraw/zinc/15/32/01/395153201.db2.gz GUVXNBZJEILGCJ-UONOGXRCSA-N 2 1 264.417 2.113 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1C1CCOCC1 ZINC000348926098 395155373 /nfs/dbraw/zinc/15/53/73/395155373.db2.gz GJSGTSPLRNXMJC-CVEARBPZSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2COc3cccc(F)c32)CC[N@H+]1C ZINC000378630969 395157893 /nfs/dbraw/zinc/15/78/93/395157893.db2.gz IWISCLYRNCQGFH-NTZNESFSSA-N 2 1 264.344 2.332 20 0 CEADMP COCc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000382553012 395182123 /nfs/dbraw/zinc/18/21/23/395182123.db2.gz WGGMQWGLISKIMI-CJNGLKHVSA-N 2 1 278.396 2.390 20 0 CEADMP COCc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000382553012 395182128 /nfs/dbraw/zinc/18/21/28/395182128.db2.gz WGGMQWGLISKIMI-CJNGLKHVSA-N 2 1 278.396 2.390 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000397889393 395229708 /nfs/dbraw/zinc/22/97/08/395229708.db2.gz OYTGGKFBKKEJHV-ZIAGYGMSSA-N 2 1 299.459 2.221 20 0 CEADMP C[C@H](C[NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398217978 395231471 /nfs/dbraw/zinc/23/14/71/395231471.db2.gz VGEPOSHBGWTBAV-INMHGKMJSA-N 2 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398217978 395231472 /nfs/dbraw/zinc/23/14/72/395231472.db2.gz VGEPOSHBGWTBAV-INMHGKMJSA-N 3 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398217978 395231473 /nfs/dbraw/zinc/23/14/73/395231473.db2.gz VGEPOSHBGWTBAV-INMHGKMJSA-N 3 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398217978 395231474 /nfs/dbraw/zinc/23/14/74/395231474.db2.gz VGEPOSHBGWTBAV-INMHGKMJSA-N 2 1 275.440 2.081 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000352065409 395244794 /nfs/dbraw/zinc/24/47/94/395244794.db2.gz KXUQFCQEKYVFEK-KFWWJZLASA-N 2 1 283.460 2.094 20 0 CEADMP C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400400968 395251989 /nfs/dbraw/zinc/25/19/89/395251989.db2.gz KRFDVEOTPKCVGI-CYGHRXIMSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CC[C@@H]1CCOC1 ZINC000438200061 395212115 /nfs/dbraw/zinc/21/21/15/395212115.db2.gz HISJZCJPSQBDDM-RBSFLKMASA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CC[C@@H]1CCOC1 ZINC000438200061 395212121 /nfs/dbraw/zinc/21/21/21/395212121.db2.gz HISJZCJPSQBDDM-RBSFLKMASA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CC[C@H]1CCOC1 ZINC000438200058 395212311 /nfs/dbraw/zinc/21/23/11/395212311.db2.gz HISJZCJPSQBDDM-KFWWJZLASA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CC[C@H]1CCOC1 ZINC000438200058 395212315 /nfs/dbraw/zinc/21/23/15/395212315.db2.gz HISJZCJPSQBDDM-KFWWJZLASA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400507048 395252616 /nfs/dbraw/zinc/25/26/16/395252616.db2.gz IFFKYGFMHOLTSH-RYQLBKOJSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC[N@@H+]1C ZINC000181813953 395224461 /nfs/dbraw/zinc/22/44/61/395224461.db2.gz GWECLKRUULOXGW-FQKPHLNHSA-N 2 1 264.413 2.016 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC[N@H+]1C ZINC000181813953 395224466 /nfs/dbraw/zinc/22/44/66/395224466.db2.gz GWECLKRUULOXGW-FQKPHLNHSA-N 2 1 264.413 2.016 20 0 CEADMP c1ccc(NC[C@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)nc1 ZINC000420322069 395325193 /nfs/dbraw/zinc/32/51/93/395325193.db2.gz RZKYOSQDDCWCTC-HZPDHXFCSA-N 2 1 288.439 2.205 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000420295563 395302359 /nfs/dbraw/zinc/30/23/59/395302359.db2.gz VNVQZYHVUNACSR-DZGCQCFKSA-N 2 1 262.397 2.297 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CCOCC2CC2)cc1 ZINC000420297533 395304164 /nfs/dbraw/zinc/30/41/64/395304164.db2.gz GDUDOERWDSBMHU-INIZCTEOSA-N 2 1 292.423 2.096 20 0 CEADMP Cc1cccc(C)c1NC(=O)C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420299043 395304397 /nfs/dbraw/zinc/30/43/97/395304397.db2.gz GDSHUPWFAWVXQL-OAHLLOKOSA-N 2 1 289.423 2.173 20 0 CEADMP NC(=O)C[N@@H+](CCC1CCCCC1)CC[C@H]1CCC[NH2+]C1 ZINC000420298099 395304499 /nfs/dbraw/zinc/30/44/99/395304499.db2.gz GSFFFIOVPSYLNT-MRXNPFEDSA-N 2 1 295.471 2.134 20 0 CEADMP c1ccc([C@@H]2COCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420301096 395305357 /nfs/dbraw/zinc/30/53/57/395305357.db2.gz LAOKZTNYUOCEQL-RDJZCZTQSA-N 2 1 274.408 2.450 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000420300299 395305397 /nfs/dbraw/zinc/30/53/97/395305397.db2.gz CGDLTUPKYAAXBV-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000420300299 395305398 /nfs/dbraw/zinc/30/53/98/395305398.db2.gz CGDLTUPKYAAXBV-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP COC(=O)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420303123 395307237 /nfs/dbraw/zinc/30/72/37/395307237.db2.gz HBYXGLJTWVRLPI-CWRNSKLLSA-N 2 1 288.391 2.032 20 0 CEADMP CC[N@@H+](CC[C@H]1CCCCO1)[C@H]1CCC[NH2+]CC1 ZINC000420306064 395310581 /nfs/dbraw/zinc/31/05/81/395310581.db2.gz HGSXCDBHLJOKIN-LSDHHAIUSA-N 2 1 254.418 2.410 20 0 CEADMP C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000420305912 395310992 /nfs/dbraw/zinc/31/09/92/395310992.db2.gz QDETYEMQXMAJDO-YOEHRIQHSA-N 2 1 291.414 2.114 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000420306332 395311743 /nfs/dbraw/zinc/31/17/43/395311743.db2.gz ASEQJMDHDJKGQB-UONOGXRCSA-N 2 1 250.411 2.222 20 0 CEADMP CC(C)CO[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420313335 395316322 /nfs/dbraw/zinc/31/63/22/395316322.db2.gz XYTZCJCTPVWXQH-LSDHHAIUSA-N 2 1 254.418 2.123 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420315141 395318626 /nfs/dbraw/zinc/31/86/26/395318626.db2.gz ZSVYGBIQSVMXEP-HZPDHXFCSA-N 2 1 295.471 2.004 20 0 CEADMP COC(=O)[C@@H](c1ccccc1C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420315514 395320207 /nfs/dbraw/zinc/32/02/07/395320207.db2.gz RTGPDXYADCHIQO-GOEBONIOSA-N 2 1 290.407 2.270 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000439295419 395258249 /nfs/dbraw/zinc/25/82/49/395258249.db2.gz NYRBKMNEBKMBIT-SHTZXODSSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000439295419 395258254 /nfs/dbraw/zinc/25/82/54/395258254.db2.gz NYRBKMNEBKMBIT-SHTZXODSSA-N 2 1 265.401 2.207 20 0 CEADMP CC(C)(C)CCN1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420320236 395323263 /nfs/dbraw/zinc/32/32/63/395323263.db2.gz PYBHUNOSMKZZHG-INIZCTEOSA-N 2 1 281.488 2.430 20 0 CEADMP CC[C@@H]1C[NH+](CCC[N@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439462859 395267131 /nfs/dbraw/zinc/26/71/31/395267131.db2.gz AMHHBMDOCDRMMH-IAGOWNOFSA-N 2 1 298.471 2.378 20 0 CEADMP C[C@](O)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccsc1 ZINC000298475600 395359454 /nfs/dbraw/zinc/35/94/54/395359454.db2.gz PDGGSJWRVZYDFP-HNNXBMFYSA-N 2 1 280.437 2.172 20 0 CEADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420379817 395366028 /nfs/dbraw/zinc/36/60/28/395366028.db2.gz VSIUUKDZKHREIV-SIXLDLHFSA-N 2 1 276.424 2.180 20 0 CEADMP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]([NH3+])C2)cc1F ZINC000435370985 395366933 /nfs/dbraw/zinc/36/69/33/395366933.db2.gz KSPOLFKZHKKTDM-WCQYABFASA-N 2 1 266.360 2.046 20 0 CEADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H]([NH3+])C2)cc1F ZINC000435370985 395366937 /nfs/dbraw/zinc/36/69/37/395366937.db2.gz KSPOLFKZHKKTDM-WCQYABFASA-N 2 1 266.360 2.046 20 0 CEADMP C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000420391594 395367723 /nfs/dbraw/zinc/36/77/23/395367723.db2.gz IPUSWGPPAGDPJU-KKUMJFAQSA-N 2 1 252.402 2.020 20 0 CEADMP CCCCOCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420401359 395371486 /nfs/dbraw/zinc/37/14/86/395371486.db2.gz PIKIUHOVIGYJRC-LSDHHAIUSA-N 2 1 254.418 2.267 20 0 CEADMP CC(C)(C)CCNC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420405817 395372837 /nfs/dbraw/zinc/37/28/37/395372837.db2.gz UCVYAUOQKFLATJ-CABCVRRESA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)(C)CCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420405817 395372841 /nfs/dbraw/zinc/37/28/41/395372841.db2.gz UCVYAUOQKFLATJ-CABCVRRESA-N 2 1 295.471 2.003 20 0 CEADMP c1ccc([C@@H]2CNCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000420405426 395372910 /nfs/dbraw/zinc/37/29/10/395372910.db2.gz MVRLPYLXWKAOOW-KRWDZBQOSA-N 2 1 273.424 2.023 20 0 CEADMP c1ccc([C@@H]2C[NH2+]CCN2CCC2CC[NH2+]CC2)cc1 ZINC000420405426 395372913 /nfs/dbraw/zinc/37/29/13/395372913.db2.gz MVRLPYLXWKAOOW-KRWDZBQOSA-N 2 1 273.424 2.023 20 0 CEADMP C[NH2+]CCC[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000420416763 395375056 /nfs/dbraw/zinc/37/50/56/395375056.db2.gz VUZWTXWVZSIRRP-LBPRGKRZSA-N 2 1 299.212 2.472 20 0 CEADMP Cc1[nH]nc2ncc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc12 ZINC000355233078 395376705 /nfs/dbraw/zinc/37/67/05/395376705.db2.gz DKLPGIXPGXYBTA-GDBMZVCRSA-N 2 1 299.422 2.182 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435622999 395379056 /nfs/dbraw/zinc/37/90/56/395379056.db2.gz AYODARHCIZZONF-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCCN(CCC)C(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435622999 395379059 /nfs/dbraw/zinc/37/90/59/395379059.db2.gz AYODARHCIZZONF-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCO[C@H]2CCCCO2)CC1 ZINC000193062292 395399246 /nfs/dbraw/zinc/39/92/46/395399246.db2.gz GKPBCBPGDQXXEQ-INIZCTEOSA-N 2 1 284.444 2.336 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000442782530 395395022 /nfs/dbraw/zinc/39/50/22/395395022.db2.gz OHDNIZUZCCXEKK-IPYPFGDCSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000442782530 395395023 /nfs/dbraw/zinc/39/50/23/395395023.db2.gz OHDNIZUZCCXEKK-IPYPFGDCSA-N 2 1 289.423 2.245 20 0 CEADMP c1ccc2c(c1)CCC[C@@H]2[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420326496 395329810 /nfs/dbraw/zinc/32/98/10/395329810.db2.gz XMMURHVUQMPFFX-IBGZPJMESA-N 2 1 299.462 2.434 20 0 CEADMP CCc1noc([C@H](C)[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420334861 395333339 /nfs/dbraw/zinc/33/33/39/395333339.db2.gz UMNDYABDZAGCQU-AVGNSLFASA-N 2 1 278.400 2.015 20 0 CEADMP c1cnc2sc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)nc2c1 ZINC000420339620 395335755 /nfs/dbraw/zinc/33/57/55/395335755.db2.gz OMYVBSLYVUJKHJ-TXEJJXNPSA-N 2 1 288.420 2.123 20 0 CEADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349166 395339352 /nfs/dbraw/zinc/33/93/52/395339352.db2.gz BZGPHIQHVLPFMM-JOYOIKCWSA-N 2 1 276.302 2.018 20 0 CEADMP CC1CCC(N(C)C(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)CC1 ZINC000420353855 395341394 /nfs/dbraw/zinc/34/13/94/395341394.db2.gz CFVZGJKPEQVPRP-YMAMQOFZSA-N 2 1 295.471 2.001 20 0 CEADMP CCOC(=O)CCCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420356143 395342859 /nfs/dbraw/zinc/34/28/59/395342859.db2.gz CPASKMIAWDFMQU-AWEZNQCLSA-N 2 1 270.417 2.217 20 0 CEADMP Fc1ccc2c(c1)C[N@H+](CCC1CC[NH2+]CC1)CCO2 ZINC000420358571 395344660 /nfs/dbraw/zinc/34/46/60/395344660.db2.gz JRPVUNIYNLJOLC-UHFFFAOYSA-N 2 1 278.371 2.410 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CC2CCOCC2)cc1 ZINC000420356684 395344796 /nfs/dbraw/zinc/34/47/96/395344796.db2.gz GSHMJVWGQLIXJV-MRXNPFEDSA-N 2 1 292.423 2.096 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000420365347 395351714 /nfs/dbraw/zinc/35/17/14/395351714.db2.gz PWIZGIKLOFWICU-ZDUSSCGKSA-N 2 1 288.395 2.242 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOCCOc1ccccc1 ZINC000420364978 395351850 /nfs/dbraw/zinc/35/18/50/395351850.db2.gz PRZXFYFDQBRYPP-HNNXBMFYSA-N 2 1 280.412 2.045 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420366202 395353139 /nfs/dbraw/zinc/35/31/39/395353139.db2.gz JJNZLYFLIHWVHK-KRWDZBQOSA-N 2 1 274.408 2.449 20 0 CEADMP Cc1cccc(OCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420366202 395353146 /nfs/dbraw/zinc/35/31/46/395353146.db2.gz JJNZLYFLIHWVHK-KRWDZBQOSA-N 2 1 274.408 2.449 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCO[C@@H]1CCCCO1 ZINC000193075764 395400812 /nfs/dbraw/zinc/40/08/12/395400812.db2.gz OFKIFTJJAOYDOW-OAHLLOKOSA-N 2 1 281.400 2.057 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCO[C@@H]1CCCCO1 ZINC000193075764 395400814 /nfs/dbraw/zinc/40/08/14/395400814.db2.gz OFKIFTJJAOYDOW-OAHLLOKOSA-N 2 1 281.400 2.057 20 0 CEADMP CCCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C1CCC1 ZINC000566415772 395520264 /nfs/dbraw/zinc/52/02/64/395520264.db2.gz JPDXKUIVYZYBHT-HUUCEWRRSA-N 2 1 256.434 2.248 20 0 CEADMP CCn1c(C[NH2+][C@H](C)C[C@H](C)[NH3+])nc2ccccc21 ZINC000565596621 395477632 /nfs/dbraw/zinc/47/76/32/395477632.db2.gz FQDSLEKZDHATRD-NWDGAFQWSA-N 2 1 260.385 2.272 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccncc1Cl ZINC000566003873 395494688 /nfs/dbraw/zinc/49/46/88/395494688.db2.gz JTQUHIPGSSIOBO-SNVBAGLBSA-N 2 1 264.760 2.362 20 0 CEADMP CCN(C)C(=O)[C@@H]([NH2+]CCCCn1cc[nH+]c1C)C(C)C ZINC000451310788 395605044 /nfs/dbraw/zinc/60/50/44/395605044.db2.gz HMGZVYUYPGOSFL-HNNXBMFYSA-N 2 1 294.443 2.064 20 0 CEADMP CC(C)[C@@H]1[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC1(C)C ZINC000573625600 395612321 /nfs/dbraw/zinc/61/23/21/395612321.db2.gz OPSPQIYTLICYSS-KGLIPLIRSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC1(C)C ZINC000573625600 395612322 /nfs/dbraw/zinc/61/23/22/395612322.db2.gz OPSPQIYTLICYSS-KGLIPLIRSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[C@@H]1[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1(C)C ZINC000573625600 395612323 /nfs/dbraw/zinc/61/23/23/395612323.db2.gz OPSPQIYTLICYSS-KGLIPLIRSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[C@@H]1[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1(C)C ZINC000573625600 395612324 /nfs/dbraw/zinc/61/23/24/395612324.db2.gz OPSPQIYTLICYSS-KGLIPLIRSA-N 2 1 256.434 2.054 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC2(CCCC2)[C@@H]1C(C)C ZINC000569000645 395571748 /nfs/dbraw/zinc/57/17/48/395571748.db2.gz LZTTWYIXYSXURJ-CABCVRRESA-N 2 1 268.445 2.200 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC2(CCCC2)[C@@H]1C(C)C ZINC000569000645 395571750 /nfs/dbraw/zinc/57/17/50/395571750.db2.gz LZTTWYIXYSXURJ-CABCVRRESA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC2(CCCC2)[C@@H]1C(C)C ZINC000569000645 395571752 /nfs/dbraw/zinc/57/17/52/395571752.db2.gz LZTTWYIXYSXURJ-CABCVRRESA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC2(CCCC2)[C@@H]1C(C)C ZINC000569000645 395571753 /nfs/dbraw/zinc/57/17/53/395571753.db2.gz LZTTWYIXYSXURJ-CABCVRRESA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+](C)CC[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)C(C)(C)C ZINC000569214227 395575009 /nfs/dbraw/zinc/57/50/09/395575009.db2.gz OBFHGVRAFQBDNY-PWSUYJOCSA-N 2 1 284.366 2.256 20 0 CEADMP C[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000572872396 395592025 /nfs/dbraw/zinc/59/20/25/395592025.db2.gz WZYKIOFAJLRBPC-UHFFFAOYSA-N 2 1 295.814 2.352 20 0 CEADMP CO[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)CC1(C)C ZINC000451564695 395623023 /nfs/dbraw/zinc/62/30/23/395623023.db2.gz MGUZZURMHFNTSE-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000451564695 395623024 /nfs/dbraw/zinc/62/30/24/395623024.db2.gz MGUZZURMHFNTSE-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000451564695 395623025 /nfs/dbraw/zinc/62/30/25/395623025.db2.gz MGUZZURMHFNTSE-KGLIPLIRSA-N 2 1 254.418 2.218 20 0 CEADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000574005643 395623889 /nfs/dbraw/zinc/62/38/89/395623889.db2.gz WPVWWRVMMDBAJY-MGPQQGTHSA-N 2 1 299.422 2.317 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2COc3ccc(F)cc32)C1 ZINC000574584651 395633137 /nfs/dbraw/zinc/63/31/37/395633137.db2.gz JDWLRRPUDDVLBK-WZRBSPASSA-N 2 1 250.317 2.119 20 0 CEADMP c1c[nH+]c(N2CC[NH+](CCC3=CCCCC3)CC2)[nH]1 ZINC000574700453 395635507 /nfs/dbraw/zinc/63/55/07/395635507.db2.gz AKWYAUGLHVYAMW-UHFFFAOYSA-N 2 1 260.385 2.422 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000574874198 395639333 /nfs/dbraw/zinc/63/93/33/395639333.db2.gz LWCSXISLUQUQSO-CABCVRRESA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000574874198 395639334 /nfs/dbraw/zinc/63/93/34/395639334.db2.gz LWCSXISLUQUQSO-CABCVRRESA-N 2 1 263.385 2.083 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)[C@H]2CCC[C@@H]21 ZINC000647322293 395702592 /nfs/dbraw/zinc/70/25/92/395702592.db2.gz PTUCUPMRWDNWGW-IKGGRYGDSA-N 2 1 274.408 2.141 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344079 395706849 /nfs/dbraw/zinc/70/68/49/395706849.db2.gz IPHAYRVHMLXVMT-NRSFXHEJSA-N 2 1 288.435 2.346 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccnn1C ZINC000647344643 395706883 /nfs/dbraw/zinc/70/68/83/395706883.db2.gz VZZJVGRQAVGTNU-UAGQMJEPSA-N 2 1 298.434 2.416 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccnn1C ZINC000647344643 395706884 /nfs/dbraw/zinc/70/68/84/395706884.db2.gz VZZJVGRQAVGTNU-UAGQMJEPSA-N 2 1 298.434 2.416 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccc(N(C)C(C)C)nc2)CC[C@H]1[NH3+] ZINC000647497640 395721581 /nfs/dbraw/zinc/72/15/81/395721581.db2.gz OGWNBUNGLJFSFD-HZPDHXFCSA-N 2 1 290.455 2.485 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C(C)C)nc2)CC[C@H]1[NH3+] ZINC000647497640 395721583 /nfs/dbraw/zinc/72/15/83/395721583.db2.gz OGWNBUNGLJFSFD-HZPDHXFCSA-N 2 1 290.455 2.485 20 0 CEADMP C(C[NH2+]C1CCCCCC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647546561 395732151 /nfs/dbraw/zinc/73/21/51/395732151.db2.gz PLKVDNVBDNOWBV-BFYDXBDKSA-N 2 1 279.472 2.277 20 0 CEADMP C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)NC1CCCCCC1 ZINC000647546561 395732152 /nfs/dbraw/zinc/73/21/52/395732152.db2.gz PLKVDNVBDNOWBV-BFYDXBDKSA-N 2 1 279.472 2.277 20 0 CEADMP CCn1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543258 395731031 /nfs/dbraw/zinc/73/10/31/395731031.db2.gz KDYFATUPKVKXAT-HOTGVXAUSA-N 2 1 276.428 2.115 20 0 CEADMP Cn1ncc(Cl)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544011 395731374 /nfs/dbraw/zinc/73/13/74/395731374.db2.gz VNLCPQZNVWPTIZ-QWHCGFSZSA-N 2 1 296.846 2.285 20 0 CEADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543987 395731492 /nfs/dbraw/zinc/73/14/92/395731492.db2.gz VHVMOUCCTDLNFF-HUUCEWRRSA-N 3 1 267.461 2.086 20 0 CEADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543987 395731495 /nfs/dbraw/zinc/73/14/95/395731495.db2.gz VHVMOUCCTDLNFF-HUUCEWRRSA-N 3 1 267.461 2.086 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2c1C ZINC000647709883 395747220 /nfs/dbraw/zinc/74/72/20/395747220.db2.gz ZBSGFEOAONSNBS-KBPBESRZSA-N 2 1 299.422 2.401 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@@H](CC[NH3+])C3)c2c1C ZINC000647707436 395747468 /nfs/dbraw/zinc/74/74/68/395747468.db2.gz OAKVNUXLSNHPGH-LBPRGKRZSA-N 2 1 273.384 2.140 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647936835 395779424 /nfs/dbraw/zinc/77/94/24/395779424.db2.gz MARVSJCTYZCBLN-YPMHNXCESA-N 2 1 251.374 2.105 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647936835 395779428 /nfs/dbraw/zinc/77/94/28/395779428.db2.gz MARVSJCTYZCBLN-YPMHNXCESA-N 2 1 251.374 2.105 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000647829499 395760598 /nfs/dbraw/zinc/76/05/98/395760598.db2.gz QUXSQEYTLJOZPA-HZSPNIEDSA-N 2 1 292.427 2.030 20 0 CEADMP C[N@@H+](CCC[NH3+])CCc1nc(-c2cccc(Cl)c2)no1 ZINC000647848447 395763315 /nfs/dbraw/zinc/76/33/15/395763315.db2.gz RPZDGQXWHWHQNY-UHFFFAOYSA-N 2 1 294.786 2.213 20 0 CEADMP C[N@@H+](CCC[NH3+])CCOc1cccc2ccccc21 ZINC000647848220 395763588 /nfs/dbraw/zinc/76/35/88/395763588.db2.gz LXVXAKHZOWOJFM-UHFFFAOYSA-N 2 1 258.365 2.499 20 0 CEADMP Cc1ccc(C(=O)C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647881235 395768238 /nfs/dbraw/zinc/76/82/38/395768238.db2.gz XWXYQDNUYXFOIR-HNNXBMFYSA-N 2 1 286.419 2.499 20 0 CEADMP Fc1ccc(CC[N@@H+](C[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000647884918 395769228 /nfs/dbraw/zinc/76/92/28/395769228.db2.gz KHJOVQFLYNIOTB-CQSZACIVSA-N 2 1 262.372 2.442 20 0 CEADMP CC(C)OCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903281 395770754 /nfs/dbraw/zinc/77/07/54/395770754.db2.gz IPNLAGLGDZQIHN-CABCVRRESA-N 2 1 254.418 2.266 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902997 395770875 /nfs/dbraw/zinc/77/08/75/395770875.db2.gz DTBRRDBKZRWWGC-CVEARBPZSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902997 395770877 /nfs/dbraw/zinc/77/08/77/395770877.db2.gz DTBRRDBKZRWWGC-CVEARBPZSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1noc(CCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977832 395794520 /nfs/dbraw/zinc/79/45/20/395794520.db2.gz IMMXJJJAMYTPLL-CABCVRRESA-N 2 1 292.427 2.022 20 0 CEADMP CO[C@@H]1CC[C@H]2OCC[N@@H+](CCCC3CC[NH2+]CC3)[C@@H]2C1 ZINC000647990911 395797580 /nfs/dbraw/zinc/79/75/80/395797580.db2.gz ULFZYGGWURVJLC-BRWVUGGUSA-N 2 1 296.455 2.035 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH+](CC)CC ZINC000648714078 395964805 /nfs/dbraw/zinc/96/48/05/395964805.db2.gz RPCNFPMEQBEDMZ-CQSZACIVSA-N 2 1 294.443 2.245 20 0 CEADMP CCCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@@H]1CC[N@@H+](C)C1 ZINC000648997521 396037685 /nfs/dbraw/zinc/03/76/85/396037685.db2.gz RGRXTEZBEKZWHL-ZIAGYGMSSA-N 2 1 283.460 2.096 20 0 CEADMP Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@H]2CC[NH2+]C2)s1 ZINC000649412955 396147136 /nfs/dbraw/zinc/14/71/36/396147136.db2.gz FZUODXUPPZHFMZ-PWSUYJOCSA-N 2 1 253.415 2.362 20 0 CEADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H]2CC[NH2+]C2)s1 ZINC000649412955 396147138 /nfs/dbraw/zinc/14/71/38/396147138.db2.gz FZUODXUPPZHFMZ-PWSUYJOCSA-N 2 1 253.415 2.362 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCC2CC[NH2+]CC2)C1 ZINC000649414035 396148388 /nfs/dbraw/zinc/14/83/88/396148388.db2.gz CGKCWXMRVYXEMJ-MRXNPFEDSA-N 3 1 267.461 2.040 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414035 396148390 /nfs/dbraw/zinc/14/83/90/396148390.db2.gz CGKCWXMRVYXEMJ-MRXNPFEDSA-N 3 1 267.461 2.040 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414035 396148393 /nfs/dbraw/zinc/14/83/93/396148393.db2.gz CGKCWXMRVYXEMJ-MRXNPFEDSA-N 3 1 267.461 2.040 20 0 CEADMP C[NH+](C)CCC1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000649494247 396169655 /nfs/dbraw/zinc/16/96/55/396169655.db2.gz HIIZBHZFRRHRIE-UHFFFAOYSA-N 2 1 290.455 2.383 20 0 CEADMP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)[C@@H](CC)CO1 ZINC000649718698 396239451 /nfs/dbraw/zinc/23/94/51/396239451.db2.gz DYDAHYYKWSXJIJ-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H](CC)CO1 ZINC000649718698 396239454 /nfs/dbraw/zinc/23/94/54/396239454.db2.gz DYDAHYYKWSXJIJ-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H](CC)CO1 ZINC000649718698 396239455 /nfs/dbraw/zinc/23/94/55/396239455.db2.gz DYDAHYYKWSXJIJ-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H](CC)CO1 ZINC000649718698 396239456 /nfs/dbraw/zinc/23/94/56/396239456.db2.gz DYDAHYYKWSXJIJ-SOUVJXGZSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CCSC2(CCC2)CC1 ZINC000649629283 396214678 /nfs/dbraw/zinc/21/46/78/396214678.db2.gz AFFFCAIAMBHFMF-CYBMUJFWSA-N 2 1 254.443 2.442 20 0 CEADMP CN1CCC[C@@H]1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000649629283 396214680 /nfs/dbraw/zinc/21/46/80/396214680.db2.gz AFFFCAIAMBHFMF-CYBMUJFWSA-N 2 1 254.443 2.442 20 0 CEADMP CN1CCC[C@@H]1C[N@H+]1CCSC2(CCC2)CC1 ZINC000649629283 396214682 /nfs/dbraw/zinc/21/46/82/396214682.db2.gz AFFFCAIAMBHFMF-CYBMUJFWSA-N 2 1 254.443 2.442 20 0 CEADMP C[C@H]1CN(C[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649629329 396216034 /nfs/dbraw/zinc/21/60/34/396216034.db2.gz BTTINLNRGAQNGM-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000649629329 396216037 /nfs/dbraw/zinc/21/60/37/396216037.db2.gz BTTINLNRGAQNGM-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000649629329 396216038 /nfs/dbraw/zinc/21/60/38/396216038.db2.gz BTTINLNRGAQNGM-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647174668 396429562 /nfs/dbraw/zinc/42/95/62/396429562.db2.gz INZZRHLFASCTHB-NVXWUHKLSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647174668 396429564 /nfs/dbraw/zinc/42/95/64/396429564.db2.gz INZZRHLFASCTHB-NVXWUHKLSA-N 2 1 288.435 2.402 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647176848 396430349 /nfs/dbraw/zinc/43/03/49/396430349.db2.gz BEHFMBPABPPMMP-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647176848 396430352 /nfs/dbraw/zinc/43/03/52/396430352.db2.gz BEHFMBPABPPMMP-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)[C@@H](C)O1 ZINC000647249309 396449664 /nfs/dbraw/zinc/44/96/64/396449664.db2.gz QYYNWCKEGZUPTL-HUMVNOLHSA-N 2 1 288.435 2.487 20 0 CEADMP COCC1(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000386544518 400527155 /nfs/dbraw/zinc/52/71/55/400527155.db2.gz RWCROLKBUADAQI-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP COCC1(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000386544518 400527161 /nfs/dbraw/zinc/52/71/61/400527161.db2.gz RWCROLKBUADAQI-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1ccc(CN(C)C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000388929743 400535111 /nfs/dbraw/zinc/53/51/11/400535111.db2.gz XGWOMHUCMLQESX-MRXNPFEDSA-N 2 1 264.413 2.128 20 0 CEADMP [NH3+]CC1(O)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000397070543 400556838 /nfs/dbraw/zinc/55/68/38/400556838.db2.gz YPZXTTPPJAIOBV-UHFFFAOYSA-N 2 1 291.782 2.178 20 0 CEADMP CCC(CC)[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000359860865 155154023 /nfs/dbraw/zinc/15/40/23/155154023.db2.gz WOXSDLFXQMOKEX-BMFZPTHFSA-N 2 1 269.477 2.283 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C)n1 ZINC000650709410 401000090 /nfs/dbraw/zinc/00/00/90/401000090.db2.gz YWXVYRYHUORBRS-YOEHRIQHSA-N 2 1 289.423 2.268 20 0 CEADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000650716668 401005786 /nfs/dbraw/zinc/00/57/86/401005786.db2.gz GIIRDEDMEUIYPY-USXIJHARSA-N 3 1 291.414 2.295 20 0 CEADMP CC[C@H](C)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650722964 401011899 /nfs/dbraw/zinc/01/18/99/401011899.db2.gz FMDNQASQDNWQNP-XQLPTFJDSA-N 2 1 254.418 2.393 20 0 CEADMP CC[C@H](C)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650722962 401011952 /nfs/dbraw/zinc/01/19/52/401011952.db2.gz FMDNQASQDNWQNP-BYNSBNAKSA-N 2 1 254.418 2.393 20 0 CEADMP Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650722151 401012228 /nfs/dbraw/zinc/01/22/28/401012228.db2.gz MJOWVSIHNDBHRL-NWANDNLSSA-N 2 1 295.452 2.312 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CNc3ccccc3C2)CC[N@@H+]1C ZINC000650751197 401027728 /nfs/dbraw/zinc/02/77/28/401027728.db2.gz QDSCNZHVQKDADL-YUELXQCFSA-N 2 1 259.397 2.096 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CNc3ccccc3C2)CC[N@H+]1C ZINC000650751197 401027731 /nfs/dbraw/zinc/02/77/31/401027731.db2.gz QDSCNZHVQKDADL-YUELXQCFSA-N 2 1 259.397 2.096 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000650756019 401032937 /nfs/dbraw/zinc/03/29/37/401032937.db2.gz RSVYGNJAZNSIHS-DNVCBOLYSA-N 3 1 297.446 2.454 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N ZINC000650756019 401032944 /nfs/dbraw/zinc/03/29/44/401032944.db2.gz RSVYGNJAZNSIHS-DNVCBOLYSA-N 2 1 297.446 2.454 20 0 CEADMP Cc1cccc2c1[nH+]cc(C)c2N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651450977 401339223 /nfs/dbraw/zinc/33/92/23/401339223.db2.gz IKGYNTBEPFHYIH-OAHLLOKOSA-N 2 1 297.402 2.107 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnnn1-c1ccccc1)C[NH+]1CCCC1 ZINC000651681874 401370970 /nfs/dbraw/zinc/37/09/70/401370970.db2.gz BZPIRAOZOWFVIG-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP COC[C@H](CC(C)(C)C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000652150528 401457857 /nfs/dbraw/zinc/45/78/57/401457857.db2.gz ZDKUEKXXRCMQGP-INIZCTEOSA-N 2 1 299.503 2.055 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC2(CO)CCC2)[C@H]2CCC[C@@H]21 ZINC000652312407 401485521 /nfs/dbraw/zinc/48/55/21/401485521.db2.gz OCQGSDFQEQIBCW-ILXRZTDVSA-N 2 1 266.429 2.002 20 0 CEADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348518 401491475 /nfs/dbraw/zinc/49/14/75/401491475.db2.gz HGRPQHWMVYDDGE-JYYAWHABSA-N 2 1 289.423 2.361 20 0 CEADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348517 401491782 /nfs/dbraw/zinc/49/17/82/401491782.db2.gz HGRPQHWMVYDDGE-DLTWYDFYSA-N 2 1 289.423 2.361 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CCCCO1)C2 ZINC000652352643 401492417 /nfs/dbraw/zinc/49/24/17/401492417.db2.gz HXPLTLGFQFMKJS-ZNMIVQPWSA-N 2 1 252.402 2.006 20 0 CEADMP C[NH2+]CCC[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000652364288 401495080 /nfs/dbraw/zinc/49/50/80/401495080.db2.gz CZEKTPLMDQSERU-LBPRGKRZSA-N 2 1 250.361 2.397 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000652364485 401495235 /nfs/dbraw/zinc/49/52/35/401495235.db2.gz SZZNPHZVFCVAOF-HIFRSBDPSA-N 2 1 296.361 2.469 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000360224076 155245325 /nfs/dbraw/zinc/24/53/25/155245325.db2.gz GAKXETSEVSCKPO-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC(O)(CCC)C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000360250474 155251531 /nfs/dbraw/zinc/25/15/31/155251531.db2.gz HYMDGHDVLKTXHZ-UHFFFAOYSA-N 2 1 286.460 2.018 20 0 CEADMP CCc1ccc(CC[N@@H+](C)C2CCN(CCO)CC2)cc1 ZINC000360288004 155260197 /nfs/dbraw/zinc/26/01/97/155260197.db2.gz ZLCZVWVNTUKCSW-UHFFFAOYSA-N 2 1 290.451 2.180 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360567059 155327032 /nfs/dbraw/zinc/32/70/32/155327032.db2.gz CJICZGJLGGTDCW-QGZVFWFLSA-N 2 1 290.407 2.150 20 0 CEADMP COc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000360589411 155331714 /nfs/dbraw/zinc/33/17/14/155331714.db2.gz QSRFSNVXTULOKS-RHSMWYFYSA-N 2 1 292.423 2.394 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@]2(C)CC[NH2+]C2)C1(C)C ZINC000262104879 286333050 /nfs/dbraw/zinc/33/30/50/286333050.db2.gz VWHPHMALTZIYMD-GUTXKFCHSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H](O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192723691 153217099 /nfs/dbraw/zinc/21/70/99/153217099.db2.gz HFMRMBPIRYIUQB-RJCAOGMDSA-N 2 1 274.408 2.455 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192669646 153217195 /nfs/dbraw/zinc/21/71/95/153217195.db2.gz JWHJMPRVANRYCY-ALOPSCKCSA-N 2 1 287.407 2.360 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192669646 153217201 /nfs/dbraw/zinc/21/72/01/153217201.db2.gz JWHJMPRVANRYCY-ALOPSCKCSA-N 2 1 287.407 2.360 20 0 CEADMP Cn1cncc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192932646 153224939 /nfs/dbraw/zinc/22/49/39/153224939.db2.gz YTYPAYHVWYFQKC-MRXNPFEDSA-N 2 1 284.407 2.032 20 0 CEADMP Cn1cncc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192932646 153224940 /nfs/dbraw/zinc/22/49/40/153224940.db2.gz YTYPAYHVWYFQKC-MRXNPFEDSA-N 2 1 284.407 2.032 20 0 CEADMP Cc1cccc(C[C@H](CO)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000193336044 153231056 /nfs/dbraw/zinc/23/10/56/153231056.db2.gz ZVUVNRXQFRVKDF-KCBNDJSGSA-N 2 1 288.435 2.113 20 0 CEADMP Cc1noc([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000193476979 153238560 /nfs/dbraw/zinc/23/85/60/153238560.db2.gz UICNCXWSYDVHFA-OAHLLOKOSA-N 2 1 292.427 2.433 20 0 CEADMP Cc1noc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000193476979 153238565 /nfs/dbraw/zinc/23/85/65/153238565.db2.gz UICNCXWSYDVHFA-OAHLLOKOSA-N 2 1 292.427 2.433 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)OC)[C@H](C)C1 ZINC000360835665 155384132 /nfs/dbraw/zinc/38/41/32/155384132.db2.gz LDGVJMUNUKXJHK-OAGGEKHMSA-N 2 1 286.460 2.138 20 0 CEADMP CCn1nc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c2ccccc21 ZINC000216176507 153291415 /nfs/dbraw/zinc/29/14/15/153291415.db2.gz IUYQLQTUJWTCBG-QWHCGFSZSA-N 2 1 272.396 2.225 20 0 CEADMP CCn1nc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c2ccccc21 ZINC000216176507 153291420 /nfs/dbraw/zinc/29/14/20/153291420.db2.gz IUYQLQTUJWTCBG-QWHCGFSZSA-N 2 1 272.396 2.225 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000219772290 153301963 /nfs/dbraw/zinc/30/19/63/153301963.db2.gz NPJSXSMTYZCHSR-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000219772290 153301966 /nfs/dbraw/zinc/30/19/66/153301966.db2.gz NPJSXSMTYZCHSR-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)n1cncc1CNCCC[N@@H+](C)C(C)C ZINC000226338740 153335423 /nfs/dbraw/zinc/33/54/23/153335423.db2.gz GVCYVKOQORRKJO-UHFFFAOYSA-N 2 1 252.406 2.284 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000226388568 153335473 /nfs/dbraw/zinc/33/54/73/153335473.db2.gz CHGGUNGUBINWSG-UHFFFAOYSA-N 2 1 287.411 2.292 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000226388568 153335478 /nfs/dbraw/zinc/33/54/78/153335478.db2.gz CHGGUNGUBINWSG-UHFFFAOYSA-N 2 1 287.411 2.292 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1F ZINC000261638570 153795016 /nfs/dbraw/zinc/79/50/16/153795016.db2.gz ABDHTYYLPBFAJB-OAHLLOKOSA-N 2 1 266.360 2.395 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1F ZINC000261638570 153795020 /nfs/dbraw/zinc/79/50/20/153795020.db2.gz ABDHTYYLPBFAJB-OAHLLOKOSA-N 2 1 266.360 2.395 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000262967531 154001966 /nfs/dbraw/zinc/00/19/66/154001966.db2.gz LKQVZVCQBIMMKH-ZMSDIMECSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000346677908 154293895 /nfs/dbraw/zinc/29/38/95/154293895.db2.gz LAAAGLDMMNEICA-QWRGUYRKSA-N 2 1 276.409 2.307 20 0 CEADMP CCOCc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1OC ZINC000346695003 154294008 /nfs/dbraw/zinc/29/40/08/154294008.db2.gz XRQQYIYKQYUGHX-ZFWWWQNUSA-N 2 1 292.423 2.401 20 0 CEADMP CC(C)(C)n1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000346814829 154296695 /nfs/dbraw/zinc/29/66/95/154296695.db2.gz CQKMQMZFWFKTOX-ZNMIVQPWSA-N 2 1 276.428 2.197 20 0 CEADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000348998814 154307357 /nfs/dbraw/zinc/30/73/57/154307357.db2.gz KWWNTWVEPQJHBS-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000348998814 154307358 /nfs/dbraw/zinc/30/73/58/154307358.db2.gz KWWNTWVEPQJHBS-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000348998814 154307359 /nfs/dbraw/zinc/30/73/59/154307359.db2.gz KWWNTWVEPQJHBS-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000348998814 154307360 /nfs/dbraw/zinc/30/73/60/154307360.db2.gz KWWNTWVEPQJHBS-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000351857320 154319634 /nfs/dbraw/zinc/31/96/34/154319634.db2.gz XFNXWTNNVZJFSK-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000351857320 154319640 /nfs/dbraw/zinc/31/96/40/154319640.db2.gz XFNXWTNNVZJFSK-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP CO[C@@]1(C)C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(C)C ZINC000352779572 154338944 /nfs/dbraw/zinc/33/89/44/154338944.db2.gz WUUYEPJITIQWDR-WFASDCNBSA-N 2 1 297.468 2.498 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000357072410 154371372 /nfs/dbraw/zinc/37/13/72/154371372.db2.gz HGUIIUAXAPKPCA-GJZGRUSLSA-N 2 1 290.407 2.135 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000357072410 154371376 /nfs/dbraw/zinc/37/13/76/154371376.db2.gz HGUIIUAXAPKPCA-GJZGRUSLSA-N 2 1 290.407 2.135 20 0 CEADMP C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCOCC[NH3+])C1 ZINC000357077067 154373462 /nfs/dbraw/zinc/37/34/62/154373462.db2.gz JITMKHKRSIQDON-WFASDCNBSA-N 2 1 266.360 2.184 20 0 CEADMP CCc1ccc([C@H](CO)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000359628529 155088632 /nfs/dbraw/zinc/08/86/32/155088632.db2.gz VPWCYOYTKJAGRA-SJORKVTESA-N 2 1 276.424 2.356 20 0 CEADMP CCc1ccc([C@H](CO)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000359628529 155088636 /nfs/dbraw/zinc/08/86/36/155088636.db2.gz VPWCYOYTKJAGRA-SJORKVTESA-N 2 1 276.424 2.356 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC000359773039 155126936 /nfs/dbraw/zinc/12/69/36/155126936.db2.gz HQTIPQUKCUOMDI-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000359773039 155126937 /nfs/dbraw/zinc/12/69/37/155126937.db2.gz HQTIPQUKCUOMDI-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000359773039 155126938 /nfs/dbraw/zinc/12/69/38/155126938.db2.gz HQTIPQUKCUOMDI-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1(C)C ZINC000363951476 156054123 /nfs/dbraw/zinc/05/41/23/156054123.db2.gz HCSHJNWTIUBCPZ-LVQVYYBASA-N 2 1 296.455 2.031 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1(C)C ZINC000363951476 156054124 /nfs/dbraw/zinc/05/41/24/156054124.db2.gz HCSHJNWTIUBCPZ-LVQVYYBASA-N 2 1 296.455 2.031 20 0 CEADMP C[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000365736252 156074012 /nfs/dbraw/zinc/07/40/12/156074012.db2.gz NKKPUJNXOALXJE-UUQIVFDPSA-N 2 1 252.402 2.016 20 0 CEADMP COc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)ccc1O ZINC000367029739 156117025 /nfs/dbraw/zinc/11/70/25/156117025.db2.gz KSJPOKNULYUBCR-UHFFFAOYSA-N 2 1 290.407 2.461 20 0 CEADMP Cc1nc(CN2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)no1 ZINC000367311415 156167995 /nfs/dbraw/zinc/16/79/95/156167995.db2.gz YCEMDJLFFWBWCE-CYBMUJFWSA-N 2 1 290.411 2.074 20 0 CEADMP Cc1ncccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000367472575 156193762 /nfs/dbraw/zinc/19/37/62/156193762.db2.gz PEDXHSFXGPJKIY-ZACQAIPSSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ncccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000367472575 156193768 /nfs/dbraw/zinc/19/37/68/156193768.db2.gz PEDXHSFXGPJKIY-ZACQAIPSSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ncccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000367472575 156193772 /nfs/dbraw/zinc/19/37/72/156193772.db2.gz PEDXHSFXGPJKIY-ZACQAIPSSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ncccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000367472575 156193774 /nfs/dbraw/zinc/19/37/74/156193774.db2.gz PEDXHSFXGPJKIY-ZACQAIPSSA-N 2 1 271.408 2.306 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccccn2)[C@@H]2CCC[C@@H]21 ZINC000367617992 156217459 /nfs/dbraw/zinc/21/74/59/156217459.db2.gz OCUNSARNMSIYFU-ULQDDVLXSA-N 2 1 273.424 2.477 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C/C=C/Cl ZINC000368418300 156343006 /nfs/dbraw/zinc/34/30/06/156343006.db2.gz WQSVEKJKCLCHGL-NESIFWDISA-N 2 1 272.820 2.218 20 0 CEADMP Cn1nccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374838484 157020600 /nfs/dbraw/zinc/02/06/00/157020600.db2.gz SYOMBSPHRGKKGI-UHFFFAOYSA-N 2 1 299.422 2.164 20 0 CEADMP O[C@]1(c2ccc(F)cc2)CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000374889084 157023424 /nfs/dbraw/zinc/02/34/24/157023424.db2.gz AMPORDIRJCKUMH-QGZVFWFLSA-N 2 1 292.398 2.205 20 0 CEADMP O[C@]1(c2ccc(F)cc2)CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000374889084 157023428 /nfs/dbraw/zinc/02/34/28/157023428.db2.gz AMPORDIRJCKUMH-QGZVFWFLSA-N 2 1 292.398 2.205 20 0 CEADMP C[C@@H]([NH2+]CC1(O)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374879441 157024259 /nfs/dbraw/zinc/02/42/59/157024259.db2.gz TXLSKAXSZUBIMZ-WBVHZDCISA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374895393 157030037 /nfs/dbraw/zinc/03/00/37/157030037.db2.gz MWCTUSJDWXJCGD-MAUKXSAKSA-N 2 1 298.434 2.420 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(C2CC2)CCOCC1 ZINC000375701393 157130295 /nfs/dbraw/zinc/13/02/95/157130295.db2.gz NGHUAFPRALGEMX-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cn3ccccc3n2)[C@H]2CCC[C@@H]21 ZINC000375889150 157159541 /nfs/dbraw/zinc/15/95/41/157159541.db2.gz OEVJAELGKFCUBF-IKGGRYGDSA-N 2 1 298.434 2.339 20 0 CEADMP Cc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000376445541 157224879 /nfs/dbraw/zinc/22/48/79/157224879.db2.gz CNHMOVHRFFJQHS-MQVJKMGUSA-N 2 1 259.397 2.147 20 0 CEADMP Cc1[nH+]ccn1CCCN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000376537715 157242432 /nfs/dbraw/zinc/24/24/32/157242432.db2.gz YSLQUUZLQKKIKX-HOCLYGCPSA-N 2 1 276.428 2.140 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000414847556 287013078 /nfs/dbraw/zinc/01/30/78/287013078.db2.gz FUIDSRNZOZVCPB-KGLIPLIRSA-N 3 1 267.461 2.227 20 0 CEADMP CC(=O)CC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177503653 165198408 /nfs/dbraw/zinc/19/84/08/165198408.db2.gz OBEQMYYNFZEGIK-IYBDPMFKSA-N 2 1 296.455 2.177 20 0 CEADMP CC(C)N1CCC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1=O ZINC000178397005 165238573 /nfs/dbraw/zinc/23/85/73/165238573.db2.gz IZUCMYUTRYBHRS-CABCVRRESA-N 2 1 297.487 2.342 20 0 CEADMP CCOCCC[N@H+]1CC[C@H](NCc2cc(C)on2)[C@H](C)C1 ZINC000178617364 165251528 /nfs/dbraw/zinc/25/15/28/165251528.db2.gz GHITUKANJOJPCO-CJNGLKHVSA-N 2 1 295.427 2.210 20 0 CEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300143459 287218773 /nfs/dbraw/zinc/21/87/73/287218773.db2.gz WNBHBGNDFGQGMC-QPSCCSFWSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300143459 287218776 /nfs/dbraw/zinc/21/87/76/287218776.db2.gz WNBHBGNDFGQGMC-QPSCCSFWSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000193126293 287219249 /nfs/dbraw/zinc/21/92/49/287219249.db2.gz VQQQICJOZMGIJQ-UKRRQHHQSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000285126034 196202104 /nfs/dbraw/zinc/20/21/04/196202104.db2.gz LEMSFOZPPWGPGI-OAHLLOKOSA-N 2 1 275.400 2.093 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCOCC1 ZINC000252211422 287268708 /nfs/dbraw/zinc/26/87/08/287268708.db2.gz WKXIKIRMNWMTBC-CABCVRRESA-N 2 1 254.418 2.410 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC000040622666 174355812 /nfs/dbraw/zinc/35/58/12/174355812.db2.gz VXVKHLWLHKOFFN-CQSZACIVSA-N 2 1 258.409 2.474 20 0 CEADMP CCC1(CC)C[N@H+](C[C@H](O)C[NH+](C)C(C)C)CCS1 ZINC000660290958 414758294 /nfs/dbraw/zinc/75/82/94/414758294.db2.gz SRPSAEMVTPOFML-CQSZACIVSA-N 2 1 288.501 2.295 20 0 CEADMP CCC1(CC)C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CCS1 ZINC000660290958 414758299 /nfs/dbraw/zinc/75/82/99/414758299.db2.gz SRPSAEMVTPOFML-CQSZACIVSA-N 2 1 288.501 2.295 20 0 CEADMP CCC1(CC)C[NH+](C[C@H](O)C[N@H+](C)C(C)C)CCS1 ZINC000660290958 414758303 /nfs/dbraw/zinc/75/83/03/414758303.db2.gz SRPSAEMVTPOFML-CQSZACIVSA-N 2 1 288.501 2.295 20 0 CEADMP CCC1(CC)C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CCS1 ZINC000660290958 414758308 /nfs/dbraw/zinc/75/83/08/414758308.db2.gz SRPSAEMVTPOFML-CQSZACIVSA-N 2 1 288.501 2.295 20 0 CEADMP CC[N@@H+](CCCNC(=O)CC1([NH3+])CC1)C1CCCCC1 ZINC000662829017 414764576 /nfs/dbraw/zinc/76/45/76/414764576.db2.gz OOVMTGRDXNKMHS-UHFFFAOYSA-N 2 1 281.444 2.029 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CCC(F)(F)CC1 ZINC000653872202 414765039 /nfs/dbraw/zinc/76/50/39/414765039.db2.gz RCJCRKUHTRFAEH-BXUZGUMPSA-N 2 1 290.398 2.245 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CCC(F)(F)CC1 ZINC000653872202 414765042 /nfs/dbraw/zinc/76/50/42/414765042.db2.gz RCJCRKUHTRFAEH-BXUZGUMPSA-N 2 1 290.398 2.245 20 0 CEADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@H]1CCCCO1 ZINC000653873975 414768093 /nfs/dbraw/zinc/76/80/93/414768093.db2.gz YXSBWZUJZDOZJN-LSDHHAIUSA-N 2 1 265.401 2.290 20 0 CEADMP Cc1csc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])n1 ZINC000404380038 414783670 /nfs/dbraw/zinc/78/36/70/414783670.db2.gz MBWUZRIHBHBWIW-ZYHUDNBSSA-N 2 1 253.415 2.401 20 0 CEADMP Cc1csc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])n1 ZINC000404380038 414783674 /nfs/dbraw/zinc/78/36/74/414783674.db2.gz MBWUZRIHBHBWIW-ZYHUDNBSSA-N 2 1 253.415 2.401 20 0 CEADMP CCO[C@@H]1C[N@@H+](CCSc2ccccc2)C[C@H]1C[NH3+] ZINC000405497589 414793013 /nfs/dbraw/zinc/79/30/13/414793013.db2.gz BLDDQMLLVMMDGC-UKRRQHHQSA-N 2 1 280.437 2.074 20 0 CEADMP CCO[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C)C[C@H]1C[NH3+] ZINC000405327495 414793723 /nfs/dbraw/zinc/79/37/23/414793723.db2.gz DEKHSUVTOVMTFX-UKRRQHHQSA-N 2 1 282.815 2.444 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C)C[C@H]1C[NH3+] ZINC000405327495 414793730 /nfs/dbraw/zinc/79/37/30/414793730.db2.gz DEKHSUVTOVMTFX-UKRRQHHQSA-N 2 1 282.815 2.444 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)C1 ZINC000660452729 414826705 /nfs/dbraw/zinc/82/67/05/414826705.db2.gz BNMFKAMXOUBNBJ-HUUCEWRRSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000660452729 414826710 /nfs/dbraw/zinc/82/67/10/414826710.db2.gz BNMFKAMXOUBNBJ-HUUCEWRRSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000660452729 414826715 /nfs/dbraw/zinc/82/67/15/414826715.db2.gz BNMFKAMXOUBNBJ-HUUCEWRRSA-N 2 1 270.461 2.446 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000657323811 414857879 /nfs/dbraw/zinc/85/78/79/414857879.db2.gz DYXQPIKYFFXNLF-VSZNYVQBSA-N 2 1 288.435 2.258 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000657323811 414857883 /nfs/dbraw/zinc/85/78/83/414857883.db2.gz DYXQPIKYFFXNLF-VSZNYVQBSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@@H](C)O1 ZINC000663344120 414922738 /nfs/dbraw/zinc/92/27/38/414922738.db2.gz OMELPFWMYUOJGD-VDERGJSUSA-N 2 1 266.429 2.264 20 0 CEADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOCC1CCC1)C2 ZINC000660661579 414923671 /nfs/dbraw/zinc/92/36/71/414923671.db2.gz DHFNTTXEMXVDPM-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOCC1CCC1)C2 ZINC000660661579 414923674 /nfs/dbraw/zinc/92/36/74/414923674.db2.gz DHFNTTXEMXVDPM-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOCC1CCC1)C2 ZINC000660661579 414923678 /nfs/dbraw/zinc/92/36/78/414923678.db2.gz DHFNTTXEMXVDPM-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOCC1CCC1)C2 ZINC000660661579 414923680 /nfs/dbraw/zinc/92/36/80/414923680.db2.gz DHFNTTXEMXVDPM-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000653176313 414937426 /nfs/dbraw/zinc/93/74/26/414937426.db2.gz PVKPZVQSLIZIGK-JKSUJKDBSA-N 2 1 297.487 2.378 20 0 CEADMP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000660699728 414938955 /nfs/dbraw/zinc/93/89/55/414938955.db2.gz YQRQALUKKAUFJO-OAHLLOKOSA-N 2 1 298.471 2.017 20 0 CEADMP C[NH2+]C[C@@H](C)[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000663514957 414978545 /nfs/dbraw/zinc/97/85/45/414978545.db2.gz XGPUMJLSLIEXRX-NWDGAFQWSA-N 2 1 268.376 2.210 20 0 CEADMP CCn1nccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000663514919 414979073 /nfs/dbraw/zinc/97/90/73/414979073.db2.gz WCZSKOCKDQSMPG-RDJZCZTQSA-N 2 1 284.407 2.486 20 0 CEADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C)C[NH2+]C ZINC000663514391 414979768 /nfs/dbraw/zinc/97/97/68/414979768.db2.gz QWAXTUGBYDYSNM-JSGCOSHPSA-N 2 1 280.412 2.222 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)[C@H]1CC1(C)C ZINC000660823993 414992096 /nfs/dbraw/zinc/99/20/96/414992096.db2.gz IYOIYVUJIQPWQO-MJBXVCDLSA-N 2 1 256.434 2.102 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C2CCCC2)C1 ZINC000660833448 414994694 /nfs/dbraw/zinc/99/46/94/414994694.db2.gz RQTAIRMIOYLWIO-HZPDHXFCSA-N 2 1 268.445 2.200 20 0 CEADMP CC[N@@H+](CCCNC(=O)C[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000653201021 414945555 /nfs/dbraw/zinc/94/55/55/414945555.db2.gz XFEWEJLFGZUFOH-HNNXBMFYSA-N 2 1 295.471 2.289 20 0 CEADMP C[C@H]([NH2+]CCOCCF)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663462518 414960825 /nfs/dbraw/zinc/96/08/25/414960825.db2.gz PCIMMZFEHIADKV-RDJZCZTQSA-N 2 1 294.414 2.473 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000663468039 414962488 /nfs/dbraw/zinc/96/24/88/414962488.db2.gz JYHQXNCAZRLPQA-NVXWUHKLSA-N 3 1 293.499 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(O)CCC(C)CC2)[C@H](C)C1 ZINC000663464449 414963729 /nfs/dbraw/zinc/96/37/29/414963729.db2.gz LWAPQQWJAORACI-FYRZTWFESA-N 2 1 268.445 2.248 20 0 CEADMP COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663472215 414965320 /nfs/dbraw/zinc/96/53/20/414965320.db2.gz ZTAUGGSEWKZFHO-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000663495245 414969027 /nfs/dbraw/zinc/96/90/27/414969027.db2.gz WICLTZDQPNRORZ-WBVHZDCISA-N 3 1 275.440 2.083 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000653608361 415051821 /nfs/dbraw/zinc/05/18/21/415051821.db2.gz NXBIFWDZTLDXKS-DOTOQJQBSA-N 2 1 292.423 2.049 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000653608361 415051823 /nfs/dbraw/zinc/05/18/23/415051823.db2.gz NXBIFWDZTLDXKS-DOTOQJQBSA-N 2 1 292.423 2.049 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CC(CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000657810322 415090780 /nfs/dbraw/zinc/09/07/80/415090780.db2.gz AQOMZRISXVPILC-FQXVJMBOSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CC(CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000657810322 415090784 /nfs/dbraw/zinc/09/07/84/415090784.db2.gz AQOMZRISXVPILC-FQXVJMBOSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[N@H+](C2CC2)C1 ZINC000663945519 415097722 /nfs/dbraw/zinc/09/77/22/415097722.db2.gz LPSSRVMWHGFTML-GFCCVEGCSA-N 2 1 270.380 2.483 20 0 CEADMP CC[C@H](C)[C@H](C)[N@H+](C[C@H](O)C[NH+](C)CC)C1CC1 ZINC000653547331 415029620 /nfs/dbraw/zinc/02/96/20/415029620.db2.gz HRUNHXDSMPYCEI-KCQAQPDRSA-N 2 1 256.434 2.198 20 0 CEADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@H](O)C[NH+](C)CC)C1CC1 ZINC000653547331 415029623 /nfs/dbraw/zinc/02/96/23/415029623.db2.gz HRUNHXDSMPYCEI-KCQAQPDRSA-N 2 1 256.434 2.198 20 0 CEADMP CC[C@H](C)[C@H](C)[NH+](C[C@H](O)C[N@H+](C)CC)C1CC1 ZINC000653547331 415029630 /nfs/dbraw/zinc/02/96/30/415029630.db2.gz HRUNHXDSMPYCEI-KCQAQPDRSA-N 2 1 256.434 2.198 20 0 CEADMP CC[C@H](C)[C@H](C)[NH+](C[C@H](O)C[N@@H+](C)CC)C1CC1 ZINC000653547331 415029633 /nfs/dbraw/zinc/02/96/33/415029633.db2.gz HRUNHXDSMPYCEI-KCQAQPDRSA-N 2 1 256.434 2.198 20 0 CEADMP Cc1cc(C(F)(F)F)cc(NC[C@@](C)(O)C[NH+](C)C)[nH+]1 ZINC000663742981 415036280 /nfs/dbraw/zinc/03/62/80/415036280.db2.gz YQZUMQKSQIMHEA-GFCCVEGCSA-N 2 1 291.317 2.133 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CCC(C)C ZINC000653571050 415041176 /nfs/dbraw/zinc/04/11/76/415041176.db2.gz RQVIPFXRDDBLEJ-LSDHHAIUSA-N 2 1 256.434 2.200 20 0 CEADMP CC1(C[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)COC1 ZINC000657677742 415045742 /nfs/dbraw/zinc/04/57/42/415045742.db2.gz HDHWNPNLHQLYTO-CYBMUJFWSA-N 2 1 252.402 2.020 20 0 CEADMP CC1(C[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)COC1 ZINC000657677742 415045749 /nfs/dbraw/zinc/04/57/49/415045749.db2.gz HDHWNPNLHQLYTO-CYBMUJFWSA-N 2 1 252.402 2.020 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000653587807 415045850 /nfs/dbraw/zinc/04/58/50/415045850.db2.gz TYLDQTSKTVCSQL-HNNXBMFYSA-N 2 1 287.411 2.096 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000653587807 415045854 /nfs/dbraw/zinc/04/58/54/415045854.db2.gz TYLDQTSKTVCSQL-HNNXBMFYSA-N 2 1 287.411 2.096 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657840057 415100322 /nfs/dbraw/zinc/10/03/22/415100322.db2.gz LLSLSEQFHJAFPG-IKGGRYGDSA-N 2 1 296.455 2.035 20 0 CEADMP C1C[N@@H+]2CCCC[C@@H]2[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657838204 415101337 /nfs/dbraw/zinc/10/13/37/415101337.db2.gz OVUNLJHBJHLOCW-HZSPNIEDSA-N 2 1 254.443 2.489 20 0 CEADMP C1C[N@H+]2CCCC[C@@H]2[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657838204 415101338 /nfs/dbraw/zinc/10/13/38/415101338.db2.gz OVUNLJHBJHLOCW-HZSPNIEDSA-N 2 1 254.443 2.489 20 0 CEADMP C[C@H](Cn1cncn1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000657839294 415101465 /nfs/dbraw/zinc/10/14/65/415101465.db2.gz RAFOEZYSFIBBBT-OWCLPIDISA-N 2 1 293.459 2.014 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccnc(C2CC2)n1 ZINC000664197203 415220936 /nfs/dbraw/zinc/22/09/36/415220936.db2.gz REYKFUMYLVFJSF-ZDUSSCGKSA-N 2 1 291.443 2.038 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccnc(C2CC2)n1 ZINC000664197203 415220947 /nfs/dbraw/zinc/22/09/47/415220947.db2.gz REYKFUMYLVFJSF-ZDUSSCGKSA-N 2 1 291.443 2.038 20 0 CEADMP CC[C@H](C)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658123765 415221301 /nfs/dbraw/zinc/22/13/01/415221301.db2.gz LWSLEIRIZMQGRU-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)c1nsc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000664197422 415221381 /nfs/dbraw/zinc/22/13/81/415221381.db2.gz WMJCJRPUKFZJGC-LBPRGKRZSA-N 2 1 299.488 2.345 20 0 CEADMP CC(C)c1nsc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000664197422 415221387 /nfs/dbraw/zinc/22/13/87/415221387.db2.gz WMJCJRPUKFZJGC-LBPRGKRZSA-N 2 1 299.488 2.345 20 0 CEADMP CC1(C)C[C@@]1(C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658300315 415306961 /nfs/dbraw/zinc/30/69/61/415306961.db2.gz DRIXEKXTIPQLST-GDBMZVCRSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)OCC[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658326518 415318753 /nfs/dbraw/zinc/31/87/53/415318753.db2.gz CWQKLICQPYCAKR-HOCLYGCPSA-N 2 1 296.455 2.035 20 0 CEADMP COC1CCC(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655721606 415413186 /nfs/dbraw/zinc/41/31/86/415413186.db2.gz QLYBDKOGAQJOOD-WIHSUSGWSA-N 2 1 296.455 2.035 20 0 CEADMP CCOCCC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655736573 415422268 /nfs/dbraw/zinc/42/22/68/415422268.db2.gz FEGYKCXSDLUTIH-INIZCTEOSA-N 2 1 296.455 2.036 20 0 CEADMP Fc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655680305 415381210 /nfs/dbraw/zinc/38/12/10/415381210.db2.gz JJJOEDIOIIEQJB-KRWDZBQOSA-N 2 1 292.398 2.211 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(COC)CC2)[C@H](C)C1 ZINC000655818385 415493432 /nfs/dbraw/zinc/49/34/32/415493432.db2.gz RDYCRXMIOJAAAS-CVEARBPZSA-N 2 1 298.471 2.140 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CS1 ZINC000655758616 415441784 /nfs/dbraw/zinc/44/17/84/415441784.db2.gz BQLLJEKHEMFAQB-QLFBSQMISA-N 2 1 286.485 2.361 20 0 CEADMP C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C[C@@H]1CCOC1 ZINC000655774502 415455226 /nfs/dbraw/zinc/45/52/26/415455226.db2.gz VBTGNQCPZZSVHG-NVXWUHKLSA-N 2 1 296.455 2.036 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000664719450 415461598 /nfs/dbraw/zinc/46/15/98/415461598.db2.gz SNOBDJQRKFWSLT-GJZGRUSLSA-N 2 1 297.487 2.249 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2noc3ccccc32)CC[C@@H]1[NH3+] ZINC000655938561 415558899 /nfs/dbraw/zinc/55/88/99/415558899.db2.gz XXTAYBZKRAIGCR-YPMHNXCESA-N 2 1 259.353 2.039 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3noc4ccccc43)C[C@@H]21 ZINC000655938256 415559267 /nfs/dbraw/zinc/55/92/67/415559267.db2.gz QDFUOIIVUPIYGU-VHDGCEQUSA-N 2 1 285.391 2.430 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H]1CCC[NH2+]C1 ZINC000655949526 415561988 /nfs/dbraw/zinc/56/19/88/415561988.db2.gz WWRKAEIMFOVTHU-GFCCVEGCSA-N 2 1 298.333 2.440 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H]1CCC[NH2+]C1 ZINC000655949526 415561993 /nfs/dbraw/zinc/56/19/93/415561993.db2.gz WWRKAEIMFOVTHU-GFCCVEGCSA-N 2 1 298.333 2.440 20 0 CEADMP COc1ccc2c(c1)C[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000656193594 415624814 /nfs/dbraw/zinc/62/48/14/415624814.db2.gz NZBKLAPHAVPZID-STQMWFEESA-N 2 1 260.381 2.399 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nc(C3CC3)cs2)C1 ZINC000656193020 415627372 /nfs/dbraw/zinc/62/73/72/415627372.db2.gz INKQUQJUGHKJKN-MNOVXSKESA-N 2 1 251.399 2.380 20 0 CEADMP CN(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656196102 415631870 /nfs/dbraw/zinc/63/18/70/415631870.db2.gz YVAGCTJLBFMILH-ZACQAIPSSA-N 2 1 275.440 2.019 20 0 CEADMP CCC(C)(C)[NH+]1CCN([C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000656199918 415633058 /nfs/dbraw/zinc/63/30/58/415633058.db2.gz GLJQLVBOUQYADI-OWCLPIDISA-N 2 1 279.472 2.181 20 0 CEADMP CN(C)C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000656199121 415633590 /nfs/dbraw/zinc/63/35/90/415633590.db2.gz OODOPELTAWEUDG-PMPSAXMXSA-N 2 1 279.403 2.288 20 0 CEADMP Cc1cnc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)c(C)c1 ZINC000656201111 415637186 /nfs/dbraw/zinc/63/71/86/415637186.db2.gz SISCZFFKUBXVFD-ZDUSSCGKSA-N 2 1 270.380 2.399 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000665238842 415640567 /nfs/dbraw/zinc/64/05/67/415640567.db2.gz FXADKQAABIITBK-GUYCJALGSA-N 2 1 269.392 2.365 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000665238841 415642829 /nfs/dbraw/zinc/64/28/29/415642829.db2.gz FXADKQAABIITBK-DYVFJYSZSA-N 2 1 269.392 2.365 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000665241231 415644948 /nfs/dbraw/zinc/64/49/48/415644948.db2.gz FVINMWLORLWHOE-RDGPPVDQSA-N 2 1 299.462 2.381 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)c2ccccc21 ZINC000665244589 415646043 /nfs/dbraw/zinc/64/60/43/415646043.db2.gz RGQMEMWIQMBQEO-JHJVBQTASA-N 2 1 268.307 2.145 20 0 CEADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000665252623 415650200 /nfs/dbraw/zinc/65/02/00/415650200.db2.gz UUEVOBFZXAPAMQ-RHQZKXFESA-N 3 1 299.462 2.110 20 0 CEADMP Cc1cc(F)ccc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662151046 415655495 /nfs/dbraw/zinc/65/54/95/415655495.db2.gz DRLJIRUAVKOMLS-QGZVFWFLSA-N 2 1 292.398 2.165 20 0 CEADMP C[C@H](c1ccccc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153770 415656056 /nfs/dbraw/zinc/65/60/56/415656056.db2.gz CBNINLVSFPKWTL-PBHICJAKSA-N 2 1 274.408 2.279 20 0 CEADMP C[C@H](c1ccccc1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153770 415656060 /nfs/dbraw/zinc/65/60/60/415656060.db2.gz CBNINLVSFPKWTL-PBHICJAKSA-N 2 1 274.408 2.279 20 0 CEADMP Cc1cc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cs1 ZINC000662150283 415657655 /nfs/dbraw/zinc/65/76/55/415657655.db2.gz UGPULZLXWDGAMB-HNNXBMFYSA-N 2 1 280.437 2.088 20 0 CEADMP CO[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000665275000 415666193 /nfs/dbraw/zinc/66/61/93/415666193.db2.gz AJUMCNWVKOJZSC-QEJZJMRPSA-N 2 1 254.418 2.312 20 0 CEADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000665274996 415667054 /nfs/dbraw/zinc/66/70/54/415667054.db2.gz AJUMCNWVKOJZSC-AEGPPILISA-N 2 1 254.418 2.312 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299368 415685508 /nfs/dbraw/zinc/68/55/08/415685508.db2.gz LQMGSYSQMMZGFN-IXDOHACOSA-N 2 1 279.472 2.216 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299368 415685514 /nfs/dbraw/zinc/68/55/14/415685514.db2.gz LQMGSYSQMMZGFN-IXDOHACOSA-N 2 1 279.472 2.216 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299368 415685519 /nfs/dbraw/zinc/68/55/19/415685519.db2.gz LQMGSYSQMMZGFN-IXDOHACOSA-N 2 1 279.472 2.216 20 0 CEADMP CCn1nccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000665299810 415687577 /nfs/dbraw/zinc/68/75/77/415687577.db2.gz TYQRDQNIPVKEGR-OWCLPIDISA-N 2 1 276.428 2.303 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000071142099 176040310 /nfs/dbraw/zinc/04/03/10/176040310.db2.gz UIPJJATZYGVFSH-LBPRGKRZSA-N 2 1 270.323 2.329 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000071142099 176040312 /nfs/dbraw/zinc/04/03/12/176040312.db2.gz UIPJJATZYGVFSH-LBPRGKRZSA-N 2 1 270.323 2.329 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnn2ccccc12)C[NH+]1CCCC1 ZINC000071373574 176139005 /nfs/dbraw/zinc/13/90/05/176139005.db2.gz ORJRBUMIAOGVKV-AWEZNQCLSA-N 2 1 272.396 2.156 20 0 CEADMP Oc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662252621 415718122 /nfs/dbraw/zinc/71/81/22/415718122.db2.gz BYZMMUWPMRYVJC-CVEARBPZSA-N 2 1 288.391 2.050 20 0 CEADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662256077 415719126 /nfs/dbraw/zinc/71/91/26/415719126.db2.gz FNOUQHXQGUNRCT-YDHLFZDLSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]1c2c(F)cccc2CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254112 415720380 /nfs/dbraw/zinc/72/03/80/415720380.db2.gz FLJVOMKGHRSSMY-GXTWGEPZSA-N 2 1 290.382 2.266 20 0 CEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254745 415722052 /nfs/dbraw/zinc/72/20/52/415722052.db2.gz KXWZOXRSSKFYLX-MCIONIFRSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CCN1C ZINC000662261852 415730197 /nfs/dbraw/zinc/73/01/97/415730197.db2.gz BKXKXKTYZOWMRV-RHSMWYFYSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@H](N(C)Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1C ZINC000662261852 415730200 /nfs/dbraw/zinc/73/02/00/415730200.db2.gz BKXKXKTYZOWMRV-RHSMWYFYSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@H](N(C)Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1C ZINC000662261852 415730203 /nfs/dbraw/zinc/73/02/03/415730203.db2.gz BKXKXKTYZOWMRV-RHSMWYFYSA-N 2 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)CC[N@@H+]1C ZINC000662261852 415730207 /nfs/dbraw/zinc/73/02/07/415730207.db2.gz BKXKXKTYZOWMRV-RHSMWYFYSA-N 3 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)CC[N@H+]1C ZINC000662261852 415730212 /nfs/dbraw/zinc/73/02/12/415730212.db2.gz BKXKXKTYZOWMRV-RHSMWYFYSA-N 3 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CC[NH+]1C ZINC000662261852 415730214 /nfs/dbraw/zinc/73/02/14/415730214.db2.gz BKXKXKTYZOWMRV-RHSMWYFYSA-N 3 1 287.451 2.247 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CC[NH+]1C ZINC000662261852 415730217 /nfs/dbraw/zinc/73/02/17/415730217.db2.gz BKXKXKTYZOWMRV-RHSMWYFYSA-N 3 1 287.451 2.247 20 0 CEADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662265120 415731365 /nfs/dbraw/zinc/73/13/65/415731365.db2.gz WIVJNBWSQQTGDA-YPMHNXCESA-N 2 1 295.452 2.274 20 0 CEADMP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662265117 415732050 /nfs/dbraw/zinc/73/20/50/415732050.db2.gz WIVJNBWSQQTGDA-WCQYABFASA-N 2 1 295.452 2.274 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCc2ccccc21 ZINC000662248428 415712606 /nfs/dbraw/zinc/71/26/06/415712606.db2.gz BCGBAAKATNFWKY-GDBMZVCRSA-N 2 1 272.392 2.127 20 0 CEADMP Cc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)nc(C)n1 ZINC000662283396 415748034 /nfs/dbraw/zinc/74/80/34/415748034.db2.gz NMUTVEUFVXRASL-CYBMUJFWSA-N 2 1 274.412 2.057 20 0 CEADMP CC1(C)C[N@@H+](C[C@@H]2CC[NH2+]C2)CCc2ccccc21 ZINC000662299300 415762518 /nfs/dbraw/zinc/76/25/18/415762518.db2.gz NNLQPJQNIJOHTR-CQSZACIVSA-N 2 1 258.409 2.432 20 0 CEADMP COc1cccc([C@@]2(C)CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)c1 ZINC000662310631 415772260 /nfs/dbraw/zinc/77/22/60/415772260.db2.gz LYHUEBWISGNTHU-PBHICJAKSA-N 2 1 274.408 2.268 20 0 CEADMP c1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCCOC3)C[NH2+]CC2 ZINC000662314747 415773915 /nfs/dbraw/zinc/77/39/15/415773915.db2.gz GMIAPERUKWNBIS-SFHVURJKSA-N 2 1 286.419 2.335 20 0 CEADMP Cc1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])co1 ZINC000662316330 415774012 /nfs/dbraw/zinc/77/40/12/415774012.db2.gz UHTJXMYRIAEGNT-BXUZGUMPSA-N 2 1 251.374 2.322 20 0 CEADMP Cc1cnc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])o1 ZINC000662314082 415774612 /nfs/dbraw/zinc/77/46/12/415774612.db2.gz BQKYVOFBSXQWLU-DGCLKSJQSA-N 2 1 251.374 2.322 20 0 CEADMP C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000662292339 415756094 /nfs/dbraw/zinc/75/60/94/415756094.db2.gz DVLWBLFGFZUISV-RDJZCZTQSA-N 3 1 279.472 2.088 20 0 CEADMP Cc1noc(CCC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662293441 415756270 /nfs/dbraw/zinc/75/62/70/415756270.db2.gz LDFRMTGDLHQFBB-OAHLLOKOSA-N 2 1 292.427 2.022 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCC3CCC3)C2)C1 ZINC000662286543 415756601 /nfs/dbraw/zinc/75/66/01/415756601.db2.gz QDXAKPFUBUDLJO-OAGGEKHMSA-N 2 1 266.429 2.395 20 0 CEADMP CO[C@H](C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)[C@@H]1CCOC1 ZINC000659876675 415756962 /nfs/dbraw/zinc/75/69/62/415756962.db2.gz LCYVJJVOZQQQFV-IAGOWNOFSA-N 2 1 298.471 2.090 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)on1 ZINC000662295235 415757925 /nfs/dbraw/zinc/75/79/25/415757925.db2.gz UOTPHZQAJSKDDE-CQSZACIVSA-N 2 1 263.385 2.195 20 0 CEADMP C[N@H+](CCCc1nc(-c2cccs2)no1)CC(C)(C)[NH3+] ZINC000662296700 415759375 /nfs/dbraw/zinc/75/93/75/415759375.db2.gz FHMPUGREZYIXLY-UHFFFAOYSA-N 2 1 294.424 2.400 20 0 CEADMP C[N@@H+](CCCc1nc(-c2cccs2)no1)CC(C)(C)[NH3+] ZINC000662296700 415759379 /nfs/dbraw/zinc/75/93/79/415759379.db2.gz FHMPUGREZYIXLY-UHFFFAOYSA-N 2 1 294.424 2.400 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000662419997 415835181 /nfs/dbraw/zinc/83/51/81/415835181.db2.gz AYTFBNXHWKEOEG-CVEARBPZSA-N 2 1 297.487 2.234 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000659997593 415837362 /nfs/dbraw/zinc/83/73/62/415837362.db2.gz UFFXAZIYOLKCIA-DOTOQJQBSA-N 2 1 294.414 2.316 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000659997593 415837365 /nfs/dbraw/zinc/83/73/65/415837365.db2.gz UFFXAZIYOLKCIA-DOTOQJQBSA-N 2 1 294.414 2.316 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000659997593 415837368 /nfs/dbraw/zinc/83/73/68/415837368.db2.gz UFFXAZIYOLKCIA-DOTOQJQBSA-N 2 1 294.414 2.316 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000659997593 415837370 /nfs/dbraw/zinc/83/73/70/415837370.db2.gz UFFXAZIYOLKCIA-DOTOQJQBSA-N 2 1 294.414 2.316 20 0 CEADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C[C@H]1CCc2ccccc21 ZINC000662320174 415778648 /nfs/dbraw/zinc/77/86/48/415778648.db2.gz AIIDCKRFKSRBHV-CVEARBPZSA-N 2 1 286.419 2.169 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C1CC1)C1CCCC1 ZINC000659910850 415780110 /nfs/dbraw/zinc/78/01/10/415780110.db2.gz UYYWQFXWWSBANA-OAHLLOKOSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C1CC1)C1CCCC1 ZINC000659910850 415780112 /nfs/dbraw/zinc/78/01/12/415780112.db2.gz UYYWQFXWWSBANA-OAHLLOKOSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C1CC1)C1CCCC1 ZINC000659910850 415780115 /nfs/dbraw/zinc/78/01/15/415780115.db2.gz UYYWQFXWWSBANA-OAHLLOKOSA-N 2 1 254.418 2.095 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CCO1 ZINC000662326145 415780237 /nfs/dbraw/zinc/78/02/37/415780237.db2.gz OWUYEWFCUIYSMM-YYIAUSFCSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)C[C@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325238 415781751 /nfs/dbraw/zinc/78/17/51/415781751.db2.gz DEASBRUIGNASOW-LSDHHAIUSA-N 2 1 256.434 2.464 20 0 CEADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@@](C)(C(F)F)O1 ZINC000662334676 415786222 /nfs/dbraw/zinc/78/62/22/415786222.db2.gz BTOWKODBMPFCGJ-FZMZJTMJSA-N 2 1 276.371 2.121 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000656693810 415816805 /nfs/dbraw/zinc/81/68/05/415816805.db2.gz ITJPDVCJGNEDIE-DZGCQCFKSA-N 2 1 282.453 2.490 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000656693810 415816813 /nfs/dbraw/zinc/81/68/13/415816813.db2.gz ITJPDVCJGNEDIE-DZGCQCFKSA-N 2 1 282.453 2.490 20 0 CEADMP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000662385955 415819025 /nfs/dbraw/zinc/81/90/25/415819025.db2.gz MMDMNBQWRLRRAR-MRXNPFEDSA-N 2 1 291.439 2.141 20 0 CEADMP CC(C)[NH2+]CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000662459261 415853187 /nfs/dbraw/zinc/85/31/87/415853187.db2.gz DZRLYLHLQLUSMH-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784787 415860231 /nfs/dbraw/zinc/86/02/31/415860231.db2.gz HGRPZPWSWPXYSI-MRXNPFEDSA-N 2 1 290.455 2.249 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000656791140 415864396 /nfs/dbraw/zinc/86/43/96/415864396.db2.gz DMDDYLBCMMOKAD-CVEARBPZSA-N 2 1 266.429 2.267 20 0 CEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000656791504 415864650 /nfs/dbraw/zinc/86/46/50/415864650.db2.gz IDTOSUJDQNLDIJ-ARFHVFGLSA-N 2 1 266.429 2.267 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C[NH3+])CC(C)C)C[C@H]1C ZINC000662743289 415952191 /nfs/dbraw/zinc/95/21/91/415952191.db2.gz NHQXSCQIMIFEPG-OWCLPIDISA-N 2 1 297.487 2.329 20 0 CEADMP CCn1cncc1C[NH2+]CCN1[C@H](C)CCC[C@H]1C ZINC000417923636 227183113 /nfs/dbraw/zinc/18/31/13/227183113.db2.gz VPDRRRGUADPTOQ-ZIAGYGMSSA-N 2 1 264.417 2.256 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000666758749 419419395 /nfs/dbraw/zinc/41/93/95/419419395.db2.gz UICXXTNGYDRTRN-INIZCTEOSA-N 2 1 289.423 2.186 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1nc2c(s1)CCCC2 ZINC000666744094 419411025 /nfs/dbraw/zinc/41/10/25/419411025.db2.gz UZUJHEFUYVUAAT-GHMZBOCLSA-N 2 1 265.426 2.239 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2c(s1)CCC2 ZINC000666743363 419413313 /nfs/dbraw/zinc/41/33/13/419413313.db2.gz BFKMHMNOKIMACZ-WDEREUQCSA-N 2 1 265.426 2.239 20 0 CEADMP c1nc2ccccn2c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000666968801 419498257 /nfs/dbraw/zinc/49/82/57/419498257.db2.gz DCOJFTRWCXBCMQ-GDBMZVCRSA-N 2 1 284.407 2.298 20 0 CEADMP c1nc2ccccn2c1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000666968801 419498266 /nfs/dbraw/zinc/49/82/66/419498266.db2.gz DCOJFTRWCXBCMQ-GDBMZVCRSA-N 2 1 284.407 2.298 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](C)CC(=O)N(C)C2CCCCC2)CC[NH2+]1 ZINC000666620234 419746610 /nfs/dbraw/zinc/74/66/10/419746610.db2.gz NFJXMSKTOIHHLI-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667649587 419747824 /nfs/dbraw/zinc/74/78/24/419747824.db2.gz XMJUEBHOOIJBEV-UKRRQHHQSA-N 2 1 286.379 2.003 20 0 CEADMP C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667649587 419747831 /nfs/dbraw/zinc/74/78/31/419747831.db2.gz XMJUEBHOOIJBEV-UKRRQHHQSA-N 2 1 286.379 2.003 20 0 CEADMP C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667649586 419748653 /nfs/dbraw/zinc/74/86/53/419748653.db2.gz XMJUEBHOOIJBEV-HIFRSBDPSA-N 2 1 286.379 2.003 20 0 CEADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667649586 419748660 /nfs/dbraw/zinc/74/86/60/419748660.db2.gz XMJUEBHOOIJBEV-HIFRSBDPSA-N 2 1 286.379 2.003 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667665040 419766264 /nfs/dbraw/zinc/76/62/64/419766264.db2.gz XBQPIIORBOFUMS-QWHCGFSZSA-N 2 1 256.353 2.498 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667665040 419766271 /nfs/dbraw/zinc/76/62/71/419766271.db2.gz XBQPIIORBOFUMS-QWHCGFSZSA-N 2 1 256.353 2.498 20 0 CEADMP Cc1[nH+]cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)n1C ZINC000667671404 419770833 /nfs/dbraw/zinc/77/08/33/419770833.db2.gz QRUYJFLWXLCTCL-HNNXBMFYSA-N 2 1 276.428 2.036 20 0 CEADMP CCC(CC)(C[NH3+])NC(=O)CCn1cc[nH+]c1C(C)C ZINC000236744013 270316630 /nfs/dbraw/zinc/31/66/30/270316630.db2.gz AHYJHRSNBNPJPM-UHFFFAOYSA-N 2 1 280.416 2.030 20 0 CEADMP CCN(C(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)C1CCCCC1 ZINC000078505306 260168049 /nfs/dbraw/zinc/16/80/49/260168049.db2.gz KYBPDUWLMQZCRG-CABCVRRESA-N 2 1 295.471 2.227 20 0 CEADMP CCN(C(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)C1CCCCC1 ZINC000078505306 260168051 /nfs/dbraw/zinc/16/80/51/260168051.db2.gz KYBPDUWLMQZCRG-CABCVRRESA-N 2 1 295.471 2.227 20 0 CEADMP CCC[NH2+][C@@H](C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449083920 260207607 /nfs/dbraw/zinc/20/76/07/260207607.db2.gz DPHUEJGVBAEMSW-XHSDSOJGSA-N 2 1 297.487 2.249 20 0 CEADMP CO[C@H]1C[C@H]([N@H+](C)CCCc2c[nH+]cn2C)C12CCC2 ZINC000521062982 260340885 /nfs/dbraw/zinc/34/08/85/260340885.db2.gz FRQZWQQOMSEJCF-GJZGRUSLSA-N 2 1 277.412 2.242 20 0 CEADMP CO[C@H]1C[C@H]([N@@H+](C)CCCc2c[nH+]cn2C)C12CCC2 ZINC000521062982 260340886 /nfs/dbraw/zinc/34/08/86/260340886.db2.gz FRQZWQQOMSEJCF-GJZGRUSLSA-N 2 1 277.412 2.242 20 0 CEADMP C[C@H](CN[C@H]1CCC[C@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000390557705 262217298 /nfs/dbraw/zinc/21/72/98/262217298.db2.gz JCTVEDZQZSANGT-PVAVHDDUSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H](CN[C@H]1CCC[C@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000390557705 262217299 /nfs/dbraw/zinc/21/72/99/262217299.db2.gz JCTVEDZQZSANGT-PVAVHDDUSA-N 2 1 275.440 2.224 20 0 CEADMP FC(F)n1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000414775326 263043831 /nfs/dbraw/zinc/04/38/31/263043831.db2.gz GLROHYCWGIGXRC-NEPJUHHUSA-N 2 1 284.354 2.100 20 0 CEADMP FC(F)n1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000414775326 263043832 /nfs/dbraw/zinc/04/38/32/263043832.db2.gz GLROHYCWGIGXRC-NEPJUHHUSA-N 2 1 284.354 2.100 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000414775747 263044354 /nfs/dbraw/zinc/04/43/54/263044354.db2.gz GQOAAZSQHRFJAG-CVEARBPZSA-N 2 1 290.455 2.341 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000414775748 263044560 /nfs/dbraw/zinc/04/45/60/263044560.db2.gz GQOAAZSQHRFJAG-HOTGVXAUSA-N 2 1 290.455 2.341 20 0 CEADMP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000453104508 263189334 /nfs/dbraw/zinc/18/93/34/263189334.db2.gz UJSFGPVJIHGKGD-ZACQAIPSSA-N 2 1 281.488 2.428 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CC1 ZINC000453396367 263263667 /nfs/dbraw/zinc/26/36/67/263263667.db2.gz ILLPTDIAFXDMJT-KKUMJFAQSA-N 2 1 266.429 2.264 20 0 CEADMP C[N@H+]1CC[C@H](NCC[NH+]2CCCC2(C)C)[C@H]2CCC[C@H]21 ZINC000453395925 263263751 /nfs/dbraw/zinc/26/37/51/263263751.db2.gz KAOUJLZUXBXCIA-OWCLPIDISA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+]1CC[C@H](NCC[N@@H+]2CCCC2(C)C)[C@H]2CCC[C@H]21 ZINC000453395925 263263752 /nfs/dbraw/zinc/26/37/52/263263752.db2.gz KAOUJLZUXBXCIA-OWCLPIDISA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CCC[NH3+])CC1 ZINC000098139170 265651576 /nfs/dbraw/zinc/65/15/76/265651576.db2.gz MDJZHSMRHBXNPC-CYBMUJFWSA-N 2 1 281.831 2.367 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH3+])CCCCCC1 ZINC000236765865 270317176 /nfs/dbraw/zinc/31/71/76/270317176.db2.gz GAKHRHRLLCZPRM-AWEZNQCLSA-N 2 1 281.444 2.029 20 0 CEADMP COc1ccc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cc1C ZINC000259139655 270329355 /nfs/dbraw/zinc/32/93/55/270329355.db2.gz XACHFCBTHPIRKP-AWEZNQCLSA-N 2 1 262.397 2.435 20 0 CEADMP Oc1cccc(CNCCn2ccnc2)c1Br ZINC000315781968 270333802 /nfs/dbraw/zinc/33/38/02/270333802.db2.gz XBKCMQLJNJOHGN-UHFFFAOYSA-N 2 1 296.168 2.141 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000397267458 270352384 /nfs/dbraw/zinc/35/23/84/270352384.db2.gz VWDBXCQAGKDXEO-IOASZLSFSA-N 2 1 289.423 2.450 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)oc1C ZINC000397249401 270352858 /nfs/dbraw/zinc/35/28/58/270352858.db2.gz BZQCVVCWCZJNQG-MDZLAQPJSA-N 2 1 294.395 2.180 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)oc1C ZINC000397249401 270352860 /nfs/dbraw/zinc/35/28/60/270352860.db2.gz BZQCVVCWCZJNQG-MDZLAQPJSA-N 2 1 294.395 2.180 20 0 CEADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1O ZINC000397399621 270353019 /nfs/dbraw/zinc/35/30/19/270353019.db2.gz IPWIHWJYWVANEC-DYEKYZERSA-N 2 1 278.396 2.206 20 0 CEADMP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000420298479 270508763 /nfs/dbraw/zinc/50/87/63/270508763.db2.gz HENLVKAXJYDNQU-SJORKVTESA-N 2 1 287.451 2.078 20 0 CEADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420320533 270516210 /nfs/dbraw/zinc/51/62/10/270516210.db2.gz QNMNTEXJNRCSHB-ARFHVFGLSA-N 2 1 295.471 2.003 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000420363151 270527180 /nfs/dbraw/zinc/52/71/80/270527180.db2.gz BGKLGUKSBPTJDF-KRWDZBQOSA-N 2 1 296.455 2.287 20 0 CEADMP C(C[N@H+]1CCO[C@@H](C2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420368812 270529810 /nfs/dbraw/zinc/52/98/10/270529810.db2.gz ILLMXMNMCIKCES-GDBMZVCRSA-N 2 1 266.429 2.267 20 0 CEADMP CC[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422771677 270761317 /nfs/dbraw/zinc/76/13/17/270761317.db2.gz XRRZEJWSNPRTCC-PVAVHDDUSA-N 2 1 294.414 2.097 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000422820886 270784477 /nfs/dbraw/zinc/78/44/77/270784477.db2.gz SUJSPGGXIFALSO-VHSXEESVSA-N 2 1 266.776 2.203 20 0 CEADMP N[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422900162 270801359 /nfs/dbraw/zinc/80/13/59/270801359.db2.gz IYQUGWNUOLIDAY-ROUUACIJSA-N 2 1 287.451 2.368 20 0 CEADMP C[NH+](C)CC1(CN[C@@H]2CCCC[C@H]2C[NH3+])CCCC1 ZINC000423040250 270823256 /nfs/dbraw/zinc/82/32/56/270823256.db2.gz STISNYDRJBGECF-LSDHHAIUSA-N 2 1 267.461 2.216 20 0 CEADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1OC ZINC000423197367 270867650 /nfs/dbraw/zinc/86/76/50/270867650.db2.gz ZCLNEHSAHNNRJZ-ZFWWWQNUSA-N 2 1 292.423 2.285 20 0 CEADMP COC(=O)CC1CC([NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000424269829 271037547 /nfs/dbraw/zinc/03/75/47/271037547.db2.gz PTOASGAUKSLSNX-LMRVLLHPSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)CC1CC([NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000424269829 271037550 /nfs/dbraw/zinc/03/75/50/271037550.db2.gz PTOASGAUKSLSNX-LMRVLLHPSA-N 2 1 282.428 2.038 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(C)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424278638 271039302 /nfs/dbraw/zinc/03/93/02/271039302.db2.gz DQQPOHTWENSOFG-WBVHZDCISA-N 2 1 293.430 2.284 20 0 CEADMP CC(C)c1nnc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000426288369 271209068 /nfs/dbraw/zinc/20/90/68/271209068.db2.gz ITLYBNDDPKSPNZ-RYUDHWBXSA-N 2 1 282.457 2.134 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000428896462 271298782 /nfs/dbraw/zinc/29/87/82/271298782.db2.gz TWYGDOGAZNZVMM-INIZCTEOSA-N 2 1 291.439 2.268 20 0 CEADMP C[C@H](CO)[N@H+](CCC[NH+]1CCCCC1)C1CCCC1 ZINC000429622248 271337712 /nfs/dbraw/zinc/33/77/12/271337712.db2.gz DYNNFWFCBVKTLI-OAHLLOKOSA-N 2 1 268.445 2.488 20 0 CEADMP C[C@H](CO)[N@@H+](CCC[NH+]1CCCCC1)C1CCCC1 ZINC000429622248 271337716 /nfs/dbraw/zinc/33/77/16/271337716.db2.gz DYNNFWFCBVKTLI-OAHLLOKOSA-N 2 1 268.445 2.488 20 0 CEADMP C[N@@H+](CCCO[C@@H]1CCCCO1)CCCn1ccnc1 ZINC000429668375 271340228 /nfs/dbraw/zinc/34/02/28/271340228.db2.gz QBLVXPYHJIGHBD-OAHLLOKOSA-N 2 1 281.400 2.138 20 0 CEADMP C[C@@](C[NH3+])([NH2+]Cc1cc2ccccc2[nH]c1=O)C1CC1 ZINC000430572032 271392011 /nfs/dbraw/zinc/39/20/11/271392011.db2.gz JAQABSFXCURYTI-INIZCTEOSA-N 2 1 271.364 2.157 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NCC1CCCCC1 ZINC000430599578 271399002 /nfs/dbraw/zinc/39/90/02/271399002.db2.gz WGOUATMARUNUFK-GDBMZVCRSA-N 2 1 297.487 2.377 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NCC1CCCCC1 ZINC000430599578 271399005 /nfs/dbraw/zinc/39/90/05/271399005.db2.gz WGOUATMARUNUFK-GDBMZVCRSA-N 2 1 297.487 2.377 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000441996976 271813146 /nfs/dbraw/zinc/81/31/46/271813146.db2.gz GNCJJTPGJLGFNR-UYSNPLJNSA-N 2 1 295.471 2.097 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C2 ZINC000414180532 274154199 /nfs/dbraw/zinc/15/41/99/274154199.db2.gz LLKWKPMIVMRFDX-IARIHHJXSA-N 2 1 288.435 2.481 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)C1C[NH2+]C1 ZINC000335215992 274256997 /nfs/dbraw/zinc/25/69/97/274256997.db2.gz LHQLRUHUBRBDDF-QMTHXVAHSA-N 2 1 264.344 2.237 20 0 CEADMP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551587 274909210 /nfs/dbraw/zinc/90/92/10/274909210.db2.gz JZZDAAUIRCQQDR-CYBMUJFWSA-N 2 1 299.187 2.385 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000157702042 276003039 /nfs/dbraw/zinc/00/30/39/276003039.db2.gz KGGVGQLGEIZUEG-XQLPTFJDSA-N 2 1 254.418 2.262 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000157702042 276003041 /nfs/dbraw/zinc/00/30/41/276003041.db2.gz KGGVGQLGEIZUEG-XQLPTFJDSA-N 2 1 254.418 2.262 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@]2(C)CCCO2)C1 ZINC000340199404 276014084 /nfs/dbraw/zinc/01/40/84/276014084.db2.gz LXTYVUWZVWKXMN-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000156046906 276274552 /nfs/dbraw/zinc/27/45/52/276274552.db2.gz NPBNAQUBKGZSCD-SSHXOBKSSA-N 2 1 294.439 2.325 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCC2(CCCCC2)CC1 ZINC000342094828 276767983 /nfs/dbraw/zinc/76/79/83/276767983.db2.gz GJBLWECYHFZDDA-OAHLLOKOSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000271804401 277023085 /nfs/dbraw/zinc/02/30/85/277023085.db2.gz JSICAEZZJQGEKW-UHFFFAOYSA-N 2 1 288.391 2.199 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000358368753 277151946 /nfs/dbraw/zinc/15/19/46/277151946.db2.gz PKNVWQIJMYQUNT-LBPRGKRZSA-N 2 1 282.350 2.152 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089145263 277152299 /nfs/dbraw/zinc/15/22/99/277152299.db2.gz UCKZTYLNCKMQGH-ZFWWWQNUSA-N 3 1 267.461 2.356 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]CC1(C)COC1 ZINC000352756182 277387674 /nfs/dbraw/zinc/38/76/74/277387674.db2.gz OTKTZVYHVNQZMV-CQSZACIVSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+]CC1(C)COC1 ZINC000352756182 277387675 /nfs/dbraw/zinc/38/76/75/277387675.db2.gz OTKTZVYHVNQZMV-CQSZACIVSA-N 2 1 254.418 2.123 20 0 CEADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000279748361 277640010 /nfs/dbraw/zinc/64/00/10/277640010.db2.gz PTZXEYTWNCKVCD-CZUORRHYSA-N 2 1 262.397 2.446 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCCO1)[NH+]1CCCC1 ZINC000311009684 277898084 /nfs/dbraw/zinc/89/80/84/277898084.db2.gz JSFGKHXTUGMNEX-QLFBSQMISA-N 2 1 254.418 2.264 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000341184723 278013988 /nfs/dbraw/zinc/01/39/88/278013988.db2.gz JWTLKKXWUUBSOY-NUEKZKHPSA-N 2 1 289.423 2.238 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@@H+]1C ZINC000156216105 278024962 /nfs/dbraw/zinc/02/49/62/278024962.db2.gz YSKOYGLKCLLEHS-DGCLKSJQSA-N 2 1 293.377 2.085 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@H+]1C ZINC000156216105 278024963 /nfs/dbraw/zinc/02/49/63/278024963.db2.gz YSKOYGLKCLLEHS-DGCLKSJQSA-N 2 1 293.377 2.085 20 0 CEADMP C[C@H](CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000125634856 278210104 /nfs/dbraw/zinc/21/01/04/278210104.db2.gz FFWPROOMXMISST-OWCLPIDISA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)C[NH+]1CCCCC1 ZINC000125634856 278210105 /nfs/dbraw/zinc/21/01/05/278210105.db2.gz FFWPROOMXMISST-OWCLPIDISA-N 2 1 279.472 2.323 20 0 CEADMP CC1(C)CCC[C@]1(O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000354151524 278249333 /nfs/dbraw/zinc/24/93/33/278249333.db2.gz XRSAZTOIPMKGRH-FMKPAKJESA-N 2 1 266.429 2.144 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCCO1 ZINC000356676676 278253750 /nfs/dbraw/zinc/25/37/50/278253750.db2.gz CKRFMFAGXWVUBU-WFASDCNBSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCCO1 ZINC000336789557 278257871 /nfs/dbraw/zinc/25/78/71/278257871.db2.gz JLMLLUGJWWHKGJ-ILXRZTDVSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)(C)c1ccccc1 ZINC000358252031 278356512 /nfs/dbraw/zinc/35/65/12/278356512.db2.gz NJUFNWQGACOFCW-RHSMWYFYSA-N 2 1 276.424 2.009 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000358252031 278356513 /nfs/dbraw/zinc/35/65/13/278356513.db2.gz NJUFNWQGACOFCW-RHSMWYFYSA-N 2 1 276.424 2.009 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C[C@@H]1C ZINC000129455083 278384234 /nfs/dbraw/zinc/38/42/34/278384234.db2.gz VIKJJXKXBWDEGU-ULQDDVLXSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000344140670 288077192 /nfs/dbraw/zinc/07/71/92/288077192.db2.gz WMWQNAQHZXKFNA-BVUBDWEXSA-N 2 1 266.429 2.121 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CCC(C)C)C1 ZINC000361275895 279039938 /nfs/dbraw/zinc/03/99/38/279039938.db2.gz CGXQIEMUKQBVGQ-CABCVRRESA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CCC(C)C)C1 ZINC000361275895 279039939 /nfs/dbraw/zinc/03/99/39/279039939.db2.gz CGXQIEMUKQBVGQ-CABCVRRESA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CCC(C)C)C1 ZINC000361275895 279039940 /nfs/dbraw/zinc/03/99/40/279039940.db2.gz CGXQIEMUKQBVGQ-CABCVRRESA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000372806122 279094760 /nfs/dbraw/zinc/09/47/60/279094760.db2.gz IJJVRRYDOWKZLM-OAHLLOKOSA-N 2 1 278.444 2.331 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000372806122 279094761 /nfs/dbraw/zinc/09/47/61/279094761.db2.gz IJJVRRYDOWKZLM-OAHLLOKOSA-N 2 1 278.444 2.331 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000248944331 279095383 /nfs/dbraw/zinc/09/53/83/279095383.db2.gz CBIVJUMGVOAYKJ-CVEARBPZSA-N 2 1 278.444 2.498 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000248944331 279095385 /nfs/dbraw/zinc/09/53/85/279095385.db2.gz CBIVJUMGVOAYKJ-CVEARBPZSA-N 2 1 278.444 2.498 20 0 CEADMP C[C@@]1(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)CC[NH2+]C1 ZINC000262037073 279157976 /nfs/dbraw/zinc/15/79/76/279157976.db2.gz OROWUSACYQMSSX-ZWKOTPCHSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@H](C(=O)N[C@@H](C)CCCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000293567860 279227361 /nfs/dbraw/zinc/22/73/61/279227361.db2.gz XUROHOBFCSECBI-LSDHHAIUSA-N 2 1 291.439 2.141 20 0 CEADMP C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000400459186 279348482 /nfs/dbraw/zinc/34/84/82/279348482.db2.gz QYJBOHVOYTYWKE-HLLBOEOZSA-N 2 1 275.440 2.237 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)C[NH+]1CCCC1 ZINC000367593614 279349982 /nfs/dbraw/zinc/34/99/82/279349982.db2.gz HZZMZIPOMNYTCN-TZMCWYRMSA-N 2 1 262.401 2.109 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)C(C)(C)C)CC1 ZINC000154525688 279356246 /nfs/dbraw/zinc/35/62/46/279356246.db2.gz UMUROJJBLNSSAX-HNNXBMFYSA-N 2 1 269.477 2.428 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCOCC1 ZINC000119734441 279454737 /nfs/dbraw/zinc/45/47/37/279454737.db2.gz WFJUEFVZKADZKT-LBPRGKRZSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)(C)OC(=O)NCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000135290710 280042088 /nfs/dbraw/zinc/04/20/88/280042088.db2.gz UQOWFLTZXWPVEX-UHFFFAOYSA-N 2 1 297.443 2.118 20 0 CEADMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)[NH+](CC)CC ZINC000362650560 280078554 /nfs/dbraw/zinc/07/85/54/280078554.db2.gz CFHYJZDZWBHBMC-CVEARBPZSA-N 2 1 297.487 2.201 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C1(C(=O)OC)CCC1 ZINC000353546395 280190202 /nfs/dbraw/zinc/19/02/02/280190202.db2.gz VYNWREZNWRHVBX-ZIAGYGMSSA-N 2 1 282.428 2.040 20 0 CEADMP CCOc1ncccc1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247140835 280321475 /nfs/dbraw/zinc/32/14/75/280321475.db2.gz SIMBTHCDHCKTRB-UMVBOHGHSA-N 2 1 277.412 2.299 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOCC2CCOCC2)[C@@H](C)C1 ZINC000248217426 280343409 /nfs/dbraw/zinc/34/34/09/280343409.db2.gz ZWMIYRACXUWJDM-DOTOQJQBSA-N 2 1 298.471 2.140 20 0 CEADMP CO[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248539569 280351750 /nfs/dbraw/zinc/35/17/50/280351750.db2.gz AVXBSADRSPNDNQ-RDBSUJKOSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH+]2CCC3(CC[NH2+]3)CC2)CCO1 ZINC000335412131 280533052 /nfs/dbraw/zinc/53/30/52/280533052.db2.gz IKGJIPVYPFXTPH-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP C(=C\c1ccccc1)\C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000422982669 280981872 /nfs/dbraw/zinc/98/18/72/280981872.db2.gz XLWPWFXRDHPQMW-TVCHPBECSA-N 2 1 286.419 2.447 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423027616 280999143 /nfs/dbraw/zinc/99/91/43/280999143.db2.gz DSIPDDXLSRMEKZ-BBWFWOEESA-N 2 1 276.424 2.100 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000423043708 281006137 /nfs/dbraw/zinc/00/61/37/281006137.db2.gz PTCGSKZNSQLIRP-RBSFLKMASA-N 3 1 267.461 2.356 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000423045798 281007347 /nfs/dbraw/zinc/00/73/47/281007347.db2.gz COSUPUBAYADZQX-VHSXEESVSA-N 2 1 280.803 2.442 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423048139 281009441 /nfs/dbraw/zinc/00/94/41/281009441.db2.gz IFASAFCQKSGWEO-BSWAZPDLSA-N 2 1 274.408 2.494 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1(C)C ZINC000423048279 281009505 /nfs/dbraw/zinc/00/95/05/281009505.db2.gz IGTRKUZAZQQYKO-RFQIPJPRSA-N 2 1 254.418 2.166 20 0 CEADMP C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000423049418 281010031 /nfs/dbraw/zinc/01/00/31/281010031.db2.gz XLVCNHFKXXUHMQ-BYNSBNAKSA-N 2 1 267.461 2.355 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423049418 281010032 /nfs/dbraw/zinc/01/00/32/281010032.db2.gz XLVCNHFKXXUHMQ-BYNSBNAKSA-N 3 1 267.461 2.355 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000423049418 281010034 /nfs/dbraw/zinc/01/00/34/281010034.db2.gz XLVCNHFKXXUHMQ-BYNSBNAKSA-N 3 1 267.461 2.355 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc(OC)c1OC ZINC000423331832 281024897 /nfs/dbraw/zinc/02/48/97/281024897.db2.gz UXBKALZHAOXYAS-GWCFXTLKSA-N 2 1 294.395 2.100 20 0 CEADMP CC[NH2+][C@H](C)CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423380540 281026363 /nfs/dbraw/zinc/02/63/63/281026363.db2.gz MXHZMPHVYFWVQB-NUJGCVRESA-N 2 1 289.467 2.485 20 0 CEADMP CC[NH2+][C@H](C)CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423380539 281026567 /nfs/dbraw/zinc/02/65/67/281026567.db2.gz MXHZMPHVYFWVQB-JFIYKMOQSA-N 2 1 289.467 2.485 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423383430 281027732 /nfs/dbraw/zinc/02/77/32/281027732.db2.gz FBWPXFOLXSQSMY-CQDKDKBSSA-N 2 1 282.815 2.367 20 0 CEADMP COC[C@]1(C[NH2+][C@H]2CCCc3ccccc32)CCC[NH2+]1 ZINC000423415597 281034949 /nfs/dbraw/zinc/03/49/49/281034949.db2.gz DVLKUGMATBLXHO-DLBZAZTESA-N 2 1 274.408 2.422 20 0 CEADMP CC[C@H]([NH3+])CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423440093 281043551 /nfs/dbraw/zinc/04/35/51/281043551.db2.gz ALMKXNLHJXFWJD-PVAVHDDUSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423447418 281045700 /nfs/dbraw/zinc/04/57/00/281045700.db2.gz OYJZXYNGHCSDIJ-AVGNSLFASA-N 2 1 258.369 2.259 20 0 CEADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423475677 281052010 /nfs/dbraw/zinc/05/20/10/281052010.db2.gz RUINJAKJMXAOBJ-RVBZMBCESA-N 2 1 252.333 2.147 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c(C)s1 ZINC000423512771 281057842 /nfs/dbraw/zinc/05/78/42/281057842.db2.gz KZQPJACFMUYHPL-DGCLKSJQSA-N 2 1 268.426 2.394 20 0 CEADMP CC[NH+](CC)CCCN1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429041778 281219823 /nfs/dbraw/zinc/21/98/23/281219823.db2.gz QFUIUIUPWYQKLM-BRWVUGGUSA-N 2 1 281.488 2.380 20 0 CEADMP CC[C@H]1C[C@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)CCO1 ZINC000261995799 281237104 /nfs/dbraw/zinc/23/71/04/281237104.db2.gz KSNPDCUUKKLHJP-CABCVRRESA-N 2 1 266.429 2.267 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430631550 281271246 /nfs/dbraw/zinc/27/12/46/281271246.db2.gz UUPPEISXVLGYHA-HNNXBMFYSA-N 2 1 262.397 2.435 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000430931546 281281878 /nfs/dbraw/zinc/28/18/78/281281878.db2.gz ZODBTMMOJWXIAA-CYBMUJFWSA-N 2 1 293.386 2.004 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000431852385 281322827 /nfs/dbraw/zinc/32/28/27/281322827.db2.gz WWKRQIRXPBQAIN-CVEARBPZSA-N 2 1 297.487 2.247 20 0 CEADMP COCCOc1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000435430989 281389628 /nfs/dbraw/zinc/38/96/28/281389628.db2.gz GMTUNWLNWLBVCQ-INIZCTEOSA-N 2 1 292.423 2.286 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000356802488 282010381 /nfs/dbraw/zinc/01/03/81/282010381.db2.gz IEWABKUGJOZTQW-AVOUXACISA-N 2 1 295.471 2.285 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000347511838 282013881 /nfs/dbraw/zinc/01/38/81/282013881.db2.gz CKDIHCWCWCKCDH-BFHYXJOUSA-N 2 1 283.460 2.094 20 0 CEADMP C[NH+](C)C/C=C/C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000373868143 282018390 /nfs/dbraw/zinc/01/83/90/282018390.db2.gz CTGZTSVAWWCEHN-AYAUWGRQSA-N 2 1 293.455 2.018 20 0 CEADMP Cc1[nH+]c2ccccc2c(N2CC[N@@H+]3CCOC[C@H]3C2)c1C ZINC000369408916 282073846 /nfs/dbraw/zinc/07/38/46/282073846.db2.gz NQLHACAXQLNLQM-OAHLLOKOSA-N 2 1 297.402 2.372 20 0 CEADMP Cc1[nH+]c2ccccc2c(N2CC[N@H+]3CCOC[C@H]3C2)c1C ZINC000369408916 282073848 /nfs/dbraw/zinc/07/38/48/282073848.db2.gz NQLHACAXQLNLQM-OAHLLOKOSA-N 2 1 297.402 2.372 20 0 CEADMP C[NH+](C)C1(CN[C@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCCC1 ZINC000353452184 289062347 /nfs/dbraw/zinc/06/23/47/289062347.db2.gz YLCCXHOQPFMRHU-PMPSAXMXSA-N 2 1 279.472 2.323 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCOC)[C@H](C)C1 ZINC000152724053 289096177 /nfs/dbraw/zinc/09/61/77/289096177.db2.gz DAEAZBNFFHBGLH-PMPSAXMXSA-N 2 1 286.460 2.138 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000414979926 290061808 /nfs/dbraw/zinc/06/18/08/290061808.db2.gz VGQBMISCKQCSGS-CQSZACIVSA-N 2 1 267.461 2.085 20 0 CEADMP Cc1cc([C@H]2CCC[N@H+]2CCc2c[nH+]cn2C)on1 ZINC000459307869 290112099 /nfs/dbraw/zinc/11/20/99/290112099.db2.gz SUUBFOADYZFOQM-CYBMUJFWSA-N 2 1 260.341 2.096 20 0 CEADMP Cc1cc([C@H]2CCC[N@@H+]2CCc2c[nH+]cn2C)on1 ZINC000459307869 290112102 /nfs/dbraw/zinc/11/21/02/290112102.db2.gz SUUBFOADYZFOQM-CYBMUJFWSA-N 2 1 260.341 2.096 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](C2CC(OC(C)C)C2)C1 ZINC000459356447 290125580 /nfs/dbraw/zinc/12/55/80/290125580.db2.gz KPEGFFZZZWAPSL-CGZBRXJRSA-N 2 1 298.471 2.375 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)[C@H]1SC ZINC000459388585 290133811 /nfs/dbraw/zinc/13/38/11/290133811.db2.gz LXWNIWNOMRWRSL-BYNSBNAKSA-N 2 1 286.485 2.217 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)[C@H]1SC ZINC000459388586 290133892 /nfs/dbraw/zinc/13/38/92/290133892.db2.gz LXWNIWNOMRWRSL-LXTVHRRPSA-N 2 1 286.485 2.217 20 0 CEADMP CCn1nncc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459398032 290136670 /nfs/dbraw/zinc/13/66/70/290136670.db2.gz FESVIPOOEPMUHT-KGLIPLIRSA-N 2 1 291.443 2.041 20 0 CEADMP CCn1nncc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459398032 290136674 /nfs/dbraw/zinc/13/66/74/290136674.db2.gz FESVIPOOEPMUHT-KGLIPLIRSA-N 2 1 291.443 2.041 20 0 CEADMP CCn1nncc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000459413248 290140507 /nfs/dbraw/zinc/14/05/07/290140507.db2.gz UCWXZWQHZKQOHT-GDBMZVCRSA-N 2 1 293.459 2.288 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3OCC[C@@H]32)CC1 ZINC000459440010 290150129 /nfs/dbraw/zinc/15/01/29/290150129.db2.gz NPDHXUAXSCQPNG-PMPSAXMXSA-N 2 1 264.413 2.160 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459476658 290159716 /nfs/dbraw/zinc/15/97/16/290159716.db2.gz RQMPSHLPVPHJNG-ZDUSSCGKSA-N 2 1 274.412 2.176 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459476658 290159719 /nfs/dbraw/zinc/15/97/19/290159719.db2.gz RQMPSHLPVPHJNG-ZDUSSCGKSA-N 2 1 274.412 2.176 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459664997 290206417 /nfs/dbraw/zinc/20/64/17/290206417.db2.gz BLGGSPZHOQFTPS-OWCLPIDISA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459664997 290206419 /nfs/dbraw/zinc/20/64/19/290206419.db2.gz BLGGSPZHOQFTPS-OWCLPIDISA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459664997 290206421 /nfs/dbraw/zinc/20/64/21/290206421.db2.gz BLGGSPZHOQFTPS-OWCLPIDISA-N 2 1 278.440 2.362 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000459734922 290221418 /nfs/dbraw/zinc/22/14/18/290221418.db2.gz OYHLVFLLGJHFNT-CYBMUJFWSA-N 2 1 272.396 2.384 20 0 CEADMP CO[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000459746285 290225498 /nfs/dbraw/zinc/22/54/98/290225498.db2.gz BTZKCPIUIRNNQU-QMCVQRASSA-N 2 1 296.455 2.033 20 0 CEADMP CO[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000459753147 290227119 /nfs/dbraw/zinc/22/71/19/290227119.db2.gz KKDDRLVEIIZUJN-MXASKKJJSA-N 2 1 296.455 2.033 20 0 CEADMP C[C@H](c1ccsc1)[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346961887 290276736 /nfs/dbraw/zinc/27/67/36/290276736.db2.gz GHEFAJXBKSILLU-CABCVRRESA-N 2 1 293.480 2.426 20 0 CEADMP COC[C@@H](CC(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000359679257 292800441 /nfs/dbraw/zinc/80/04/41/292800441.db2.gz OZZGKSXEVFSIRC-CQSZACIVSA-N 2 1 254.418 2.264 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C/C=C\c2ccncc2)C1 ZINC000486989409 290327252 /nfs/dbraw/zinc/32/72/52/290327252.db2.gz MBLLOHJIAHWZHU-MJSXRHKHSA-N 2 1 259.397 2.416 20 0 CEADMP CC(C)[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000487987822 290371825 /nfs/dbraw/zinc/37/18/25/290371825.db2.gz LKBRKJXTQNWYPA-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)CCCO1 ZINC000334970806 295276460 /nfs/dbraw/zinc/27/64/60/295276460.db2.gz GNCPJBWPVPQAIX-HOCLYGCPSA-N 2 1 278.371 2.253 20 0 CEADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)CCCO1 ZINC000334970806 295276462 /nfs/dbraw/zinc/27/64/62/295276462.db2.gz GNCPJBWPVPQAIX-HOCLYGCPSA-N 2 1 278.371 2.253 20 0 CEADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc2c[nH+]cn2c1 ZINC000530025458 298028190 /nfs/dbraw/zinc/02/81/90/298028190.db2.gz FFZYMCCNPSQBPQ-MRXNPFEDSA-N 2 1 298.390 2.081 20 0 CEADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000530212990 298051371 /nfs/dbraw/zinc/05/13/71/298051371.db2.gz SWDYSFODBKEZJX-HOCLYGCPSA-N 2 1 280.387 2.054 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000530219226 298054540 /nfs/dbraw/zinc/05/45/40/298054540.db2.gz OQNWSZZNWHHGPS-HZPDHXFCSA-N 2 1 280.387 2.054 20 0 CEADMP OCc1ccc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000530223781 298056681 /nfs/dbraw/zinc/05/66/81/298056681.db2.gz PSXQCLNTYBBQHO-CABCVRRESA-N 2 1 292.398 2.140 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C12CCC2 ZINC000530223734 298056955 /nfs/dbraw/zinc/05/69/55/298056955.db2.gz UWGRDLIMFNJBOI-MGPQQGTHSA-N 2 1 264.413 2.208 20 0 CEADMP CC(C)[C@H]1CNCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000530229325 298057431 /nfs/dbraw/zinc/05/74/31/298057431.db2.gz NCTPTHMSFGYDTQ-QGZVFWFLSA-N 2 1 284.407 2.302 20 0 CEADMP Cc1ccccc1[C@H](CO)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531739080 298118586 /nfs/dbraw/zinc/11/85/86/298118586.db2.gz GQBXQQRNDKDHAW-FMKPAKJESA-N 2 1 262.397 2.101 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000531739080 298118587 /nfs/dbraw/zinc/11/85/87/298118587.db2.gz GQBXQQRNDKDHAW-FMKPAKJESA-N 2 1 262.397 2.101 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000532187934 298135111 /nfs/dbraw/zinc/13/51/11/298135111.db2.gz MIDZELQAWHAAPG-GFCCVEGCSA-N 2 1 275.396 2.174 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346693113 298363632 /nfs/dbraw/zinc/36/36/32/298363632.db2.gz KVCWHGVOLXCFIU-UMVBOHGHSA-N 2 1 254.418 2.108 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000548060437 298390519 /nfs/dbraw/zinc/39/05/19/298390519.db2.gz HGCAFDKQQZZMFB-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000567246106 299046087 /nfs/dbraw/zinc/04/60/87/299046087.db2.gz FSTOHHWMDXTOPH-GOSISDBHSA-N 2 1 299.418 2.296 20 0 CEADMP Cn1cncc1CCCN1CCO[C@H](Cc2ccccc2)C1 ZINC000567246106 299046089 /nfs/dbraw/zinc/04/60/89/299046089.db2.gz FSTOHHWMDXTOPH-GOSISDBHSA-N 2 1 299.418 2.296 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000567246018 299046123 /nfs/dbraw/zinc/04/61/23/299046123.db2.gz CYYCYILALNLBMJ-IIAWOOMASA-N 2 1 270.461 2.494 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)[C@H]1C ZINC000567284881 299049239 /nfs/dbraw/zinc/04/92/39/299049239.db2.gz HAHPCLGGWLMHLY-CBBWQLFWSA-N 2 1 284.444 2.283 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)[C@H]1C ZINC000567284881 299049242 /nfs/dbraw/zinc/04/92/42/299049242.db2.gz HAHPCLGGWLMHLY-CBBWQLFWSA-N 2 1 284.444 2.283 20 0 CEADMP CCCNC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000567286769 299049701 /nfs/dbraw/zinc/04/97/01/299049701.db2.gz WJHOPTNRBXDERG-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCCNC(=O)CCC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000567286769 299049702 /nfs/dbraw/zinc/04/97/02/299049702.db2.gz WJHOPTNRBXDERG-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCCNC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000567286769 299049705 /nfs/dbraw/zinc/04/97/05/299049705.db2.gz WJHOPTNRBXDERG-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP Cc1cc(NC[C@@H](CC(C)C)[NH+](C)C)nc(C)[nH+]1 ZINC000298273354 301363245 /nfs/dbraw/zinc/36/32/45/301363245.db2.gz GMKOMCURNQAREV-CYBMUJFWSA-N 2 1 250.390 2.482 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000515305870 313067555 /nfs/dbraw/zinc/06/75/55/313067555.db2.gz KCVBDQQGGJUYCK-DZGCQCFKSA-N 2 1 256.434 2.105 20 0 CEADMP C[N@H+]1CCC[C@H](CNCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000521609886 313130146 /nfs/dbraw/zinc/13/01/46/313130146.db2.gz HGNNQNBOCSPBTJ-GFCCVEGCSA-N 2 1 298.333 2.440 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000521609886 313130153 /nfs/dbraw/zinc/13/01/53/313130153.db2.gz HGNNQNBOCSPBTJ-GFCCVEGCSA-N 2 1 298.333 2.440 20 0 CEADMP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000530630427 313301528 /nfs/dbraw/zinc/30/15/28/313301528.db2.gz OKVYBXSRPLPIJV-HNNXBMFYSA-N 2 1 297.487 2.294 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000535747774 313395482 /nfs/dbraw/zinc/39/54/82/313395482.db2.gz ZZHCDYVMAZMIPZ-AWEZNQCLSA-N 2 1 273.380 2.075 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000535747774 313395485 /nfs/dbraw/zinc/39/54/85/313395485.db2.gz ZZHCDYVMAZMIPZ-AWEZNQCLSA-N 2 1 273.380 2.075 20 0 CEADMP Cc1cc(NC(=O)[C@H](C)[NH+]2CC(C)C2)ccc1C[NH+](C)C ZINC000566865962 313872502 /nfs/dbraw/zinc/87/25/02/313872502.db2.gz GNSXGEASIQPQOZ-AWEZNQCLSA-N 2 1 289.423 2.335 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000568647349 313965482 /nfs/dbraw/zinc/96/54/82/313965482.db2.gz QVDLUEVYTUIKCM-LSDHHAIUSA-N 3 1 255.450 2.355 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000570838786 314061736 /nfs/dbraw/zinc/06/17/36/314061736.db2.gz CCXBWSYCGJXPNH-KBPBESRZSA-N 2 1 289.423 2.120 20 0 CEADMP CC1CCC(O)(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000572029952 314117933 /nfs/dbraw/zinc/11/79/33/314117933.db2.gz DRTBGNUJTZILBL-NPCAHTBFSA-N 2 1 266.429 2.002 20 0 CEADMP CCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000573099806 314141156 /nfs/dbraw/zinc/14/11/56/314141156.db2.gz XPZVRKMAJXTMMX-HNNXBMFYSA-N 2 1 261.413 2.464 20 0 CEADMP CCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000573099806 314141158 /nfs/dbraw/zinc/14/11/58/314141158.db2.gz XPZVRKMAJXTMMX-HNNXBMFYSA-N 2 1 261.413 2.464 20 0 CEADMP Cc1[nH+]ccn1CCCN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000573325137 314152492 /nfs/dbraw/zinc/15/24/92/314152492.db2.gz ROAPIFCHASUSLW-KRWDZBQOSA-N 2 1 284.407 2.140 20 0 CEADMP c1cnn(-c2cccc(C[NH2+]CCC[NH+]3CCC3)c2)c1 ZINC000573575439 314170375 /nfs/dbraw/zinc/17/03/75/314170375.db2.gz BJLXIYPNHDEJDG-UHFFFAOYSA-N 2 1 270.380 2.058 20 0 CEADMP Fc1ccc(/C=C\C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000573920141 314182827 /nfs/dbraw/zinc/18/28/27/314182827.db2.gz HJWYJUPDAPJXJJ-LHBIUNCVSA-N 2 1 260.356 2.380 20 0 CEADMP Fc1ccc(/C=C\C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000573920141 314182832 /nfs/dbraw/zinc/18/28/32/314182832.db2.gz HJWYJUPDAPJXJJ-LHBIUNCVSA-N 2 1 260.356 2.380 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000574116455 314187385 /nfs/dbraw/zinc/18/73/85/314187385.db2.gz WVAUDJNYSGAHSM-HOCLYGCPSA-N 2 1 278.440 2.255 20 0 CEADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000574172497 314194507 /nfs/dbraw/zinc/19/45/07/314194507.db2.gz SRMXJIRLCPOWDX-ZIAGYGMSSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1cccc(C[N@@H+](C)CCCc2c[nH+]cn2C)n1 ZINC000575999241 314232153 /nfs/dbraw/zinc/23/21/53/314232153.db2.gz CNPYMXGCMBSBLR-UHFFFAOYSA-N 2 1 258.369 2.188 20 0 CEADMP Cc1cccc(C[N@H+](C)CCCc2c[nH+]cn2C)n1 ZINC000575999241 314232155 /nfs/dbraw/zinc/23/21/55/314232155.db2.gz CNPYMXGCMBSBLR-UHFFFAOYSA-N 2 1 258.369 2.188 20 0 CEADMP CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000576118383 314243982 /nfs/dbraw/zinc/24/39/82/314243982.db2.gz ILKWJKHUQOWHDK-QLFBSQMISA-N 2 1 256.434 2.248 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1CO ZINC000576814690 314313162 /nfs/dbraw/zinc/31/31/62/314313162.db2.gz NQXPEWFKOCHOEO-KDOFPFPSSA-N 2 1 284.403 2.227 20 0 CEADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000577363064 314368180 /nfs/dbraw/zinc/36/81/80/314368180.db2.gz KYYUZGWNDQCHHZ-LSDHHAIUSA-N 3 1 255.450 2.275 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN1CCC(OC2CCCCC2)CC1 ZINC000580446581 322318403 /nfs/dbraw/zinc/31/84/03/322318403.db2.gz PSTSCVPZZLRPSJ-HNNXBMFYSA-N 2 1 298.471 2.113 20 0 CEADMP CCN(C)C[C@H](O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000580446581 322318404 /nfs/dbraw/zinc/31/84/04/322318404.db2.gz PSTSCVPZZLRPSJ-HNNXBMFYSA-N 2 1 298.471 2.113 20 0 CEADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H](C)c1cccc(OC)c1 ZINC000580511697 322322107 /nfs/dbraw/zinc/32/21/07/322322107.db2.gz XNOFDUDSROIXKF-GDBMZVCRSA-N 2 1 294.439 2.391 20 0 CEADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H](C)c1cccc(OC)c1 ZINC000580511697 322322108 /nfs/dbraw/zinc/32/21/08/322322108.db2.gz XNOFDUDSROIXKF-GDBMZVCRSA-N 2 1 294.439 2.391 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000580511697 322322110 /nfs/dbraw/zinc/32/21/10/322322110.db2.gz XNOFDUDSROIXKF-GDBMZVCRSA-N 2 1 294.439 2.391 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000580511697 322322111 /nfs/dbraw/zinc/32/21/11/322322111.db2.gz XNOFDUDSROIXKF-GDBMZVCRSA-N 2 1 294.439 2.391 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000580524798 322323290 /nfs/dbraw/zinc/32/32/90/322323290.db2.gz OFHVYRXYGVVIGX-CQSZACIVSA-N 2 1 273.424 2.392 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000580524798 322323293 /nfs/dbraw/zinc/32/32/93/322323293.db2.gz OFHVYRXYGVVIGX-CQSZACIVSA-N 2 1 273.424 2.392 20 0 CEADMP COc1ncc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000580639977 322331966 /nfs/dbraw/zinc/33/19/66/322331966.db2.gz ZVPOBYLNFAKSID-PWSUYJOCSA-N 2 1 283.803 2.221 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000580711602 322337584 /nfs/dbraw/zinc/33/75/84/322337584.db2.gz IMRFXQQNYAXXOM-KBPBESRZSA-N 2 1 289.423 2.166 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)NCC1CCCCC1 ZINC000580764748 322341832 /nfs/dbraw/zinc/34/18/32/322341832.db2.gz IOECGGFGAJVHAY-JKIFEVAISA-N 2 1 295.471 2.049 20 0 CEADMP CC[C@H]([NH2+]CCOc1ccccc1OC)[C@@H]1CCC[NH2+]1 ZINC000583375479 322542237 /nfs/dbraw/zinc/54/22/37/322542237.db2.gz MVUQNMWOMXBAAE-KBPBESRZSA-N 2 1 278.396 2.194 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000562744350 327512010 /nfs/dbraw/zinc/51/20/10/327512010.db2.gz ZQTYJXNECSSYRA-WDEREUQCSA-N 2 1 254.324 2.443 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCOCc2ccccc2)CC[N@H+]1C ZINC000156909416 533947138 /nfs/dbraw/zinc/94/71/38/533947138.db2.gz CPYTXYAIHLSUOI-GDBMZVCRSA-N 2 1 262.397 2.276 20 0 CEADMP CC(C)C[N@H+]1CCCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000363510872 519721066 /nfs/dbraw/zinc/72/10/66/519721066.db2.gz DJFUYTNDUWPIGR-UHFFFAOYSA-N 2 1 281.488 2.382 20 0 CEADMP CC(C)CN1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000055083731 519725671 /nfs/dbraw/zinc/72/56/71/519725671.db2.gz VUUIPPMMTBFQSU-UHFFFAOYSA-N 2 1 267.461 2.040 20 0 CEADMP CC(C)n1cncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157537743 520055509 /nfs/dbraw/zinc/05/55/09/520055509.db2.gz OBLHDIBIGIOQIY-ZIAGYGMSSA-N 2 1 262.401 2.180 20 0 CEADMP CC(C)n1cncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157537743 520055514 /nfs/dbraw/zinc/05/55/14/520055514.db2.gz OBLHDIBIGIOQIY-ZIAGYGMSSA-N 2 1 262.401 2.180 20 0 CEADMP c1ccc(COCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166761642 534489717 /nfs/dbraw/zinc/48/97/17/534489717.db2.gz OPWMOCYGDZWTEG-DLBZAZTESA-N 2 1 274.408 2.420 20 0 CEADMP CCN(CC)C(=O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367759203 520465356 /nfs/dbraw/zinc/46/53/56/520465356.db2.gz XJPHXVWGOZHQLT-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c(N(C)C)n1 ZINC000068690066 520631048 /nfs/dbraw/zinc/63/10/48/520631048.db2.gz MCGUNPPWRLRJQZ-CYBMUJFWSA-N 2 1 279.432 2.465 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2CC(C)C)CC1 ZINC000150865896 521571586 /nfs/dbraw/zinc/57/15/86/521571586.db2.gz JFNDLQQMAWQCHO-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CCOC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000364867042 521627045 /nfs/dbraw/zinc/62/70/45/521627045.db2.gz XNQIUZHYGXGSHE-OWCLPIDISA-N 2 1 298.471 2.281 20 0 CEADMP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cs1 ZINC000157093647 522285105 /nfs/dbraw/zinc/28/51/05/522285105.db2.gz DOBLKSBINFIGCB-AAEUAGOBSA-N 2 1 267.442 2.178 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000357091704 534636198 /nfs/dbraw/zinc/63/61/98/534636198.db2.gz WHLBKKOWGOTRBL-CYBMUJFWSA-N 2 1 291.420 2.409 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1nccn1C ZINC000182826113 522859911 /nfs/dbraw/zinc/85/99/11/522859911.db2.gz WQWSMMSUFSRUEW-GXTWGEPZSA-N 2 1 275.400 2.302 20 0 CEADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363786234 523490455 /nfs/dbraw/zinc/49/04/55/523490455.db2.gz QTCKIKNLOFEIKW-LTIDMASMSA-N 2 1 298.471 2.281 20 0 CEADMP COCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363786234 523490460 /nfs/dbraw/zinc/49/04/60/523490460.db2.gz QTCKIKNLOFEIKW-LTIDMASMSA-N 2 1 298.471 2.281 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156144760 523921406 /nfs/dbraw/zinc/92/14/06/523921406.db2.gz MNTZMHQYNYDTTL-AWEZNQCLSA-N 2 1 291.439 2.208 20 0 CEADMP Cc1ccncc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000374397631 525741646 /nfs/dbraw/zinc/74/16/46/525741646.db2.gz DQSWTMBNYFMQRW-BRWVUGGUSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ccncc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000374397631 525741658 /nfs/dbraw/zinc/74/16/58/525741658.db2.gz DQSWTMBNYFMQRW-BRWVUGGUSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ccncc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000374397631 525741665 /nfs/dbraw/zinc/74/16/65/525741665.db2.gz DQSWTMBNYFMQRW-BRWVUGGUSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ccncc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000374397631 525741669 /nfs/dbraw/zinc/74/16/69/525741669.db2.gz DQSWTMBNYFMQRW-BRWVUGGUSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1nc(C)n([C@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000363459054 526766361 /nfs/dbraw/zinc/76/63/61/526766361.db2.gz GGWLDZBKMYUJHJ-INIZCTEOSA-N 2 1 291.443 2.018 20 0 CEADMP Cc1nc(C)n([C@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000363459054 526766366 /nfs/dbraw/zinc/76/63/66/526766366.db2.gz GGWLDZBKMYUJHJ-INIZCTEOSA-N 2 1 291.443 2.018 20 0 CEADMP Cc1nc([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)no1 ZINC000363467840 527045122 /nfs/dbraw/zinc/04/51/22/527045122.db2.gz KIHUSVYRPUGMKA-KGLIPLIRSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)no1 ZINC000363467840 527045126 /nfs/dbraw/zinc/04/51/26/527045126.db2.gz KIHUSVYRPUGMKA-KGLIPLIRSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)no1 ZINC000363467840 527045132 /nfs/dbraw/zinc/04/51/32/527045132.db2.gz KIHUSVYRPUGMKA-KGLIPLIRSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)no1 ZINC000363467840 527045138 /nfs/dbraw/zinc/04/51/38/527045138.db2.gz KIHUSVYRPUGMKA-KGLIPLIRSA-N 2 1 278.400 2.042 20 0 CEADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C[C@@H]1CCOC1 ZINC000400690719 527486482 /nfs/dbraw/zinc/48/64/82/527486482.db2.gz MCUFAWFYDZVVHW-KFWWJZLASA-N 2 1 252.402 2.020 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCOC(C)C)[C@H](C)C1 ZINC000175718249 527831676 /nfs/dbraw/zinc/83/16/76/527831676.db2.gz LZCRVCUCDVJVQG-CABCVRRESA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCOC(C)C)[C@H](C)C1 ZINC000175718249 527831682 /nfs/dbraw/zinc/83/16/82/527831682.db2.gz LZCRVCUCDVJVQG-CABCVRRESA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOC(C)C)[C@H](C)C1 ZINC000175718249 527831688 /nfs/dbraw/zinc/83/16/88/527831688.db2.gz LZCRVCUCDVJVQG-CABCVRRESA-N 2 1 256.434 2.464 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)NCCCC[NH3+])cc1)C1CC1 ZINC000357820975 528775894 /nfs/dbraw/zinc/77/58/94/528775894.db2.gz NUJOATWOPRPJCK-UHFFFAOYSA-N 2 1 289.423 2.140 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000414339006 528988928 /nfs/dbraw/zinc/98/89/28/528988928.db2.gz FNOWPYRVIFEXEN-MRXNPFEDSA-N 2 1 291.414 2.478 20 0 CEADMP C[C@@H](O)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000309756817 538741123 /nfs/dbraw/zinc/74/11/23/538741123.db2.gz XRRCVSKBQCHHST-NVXWUHKLSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@@H](O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309756817 538741124 /nfs/dbraw/zinc/74/11/24/538741124.db2.gz XRRCVSKBQCHHST-NVXWUHKLSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@@H](O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309756817 538741129 /nfs/dbraw/zinc/74/11/29/538741129.db2.gz XRRCVSKBQCHHST-NVXWUHKLSA-N 2 1 276.424 2.211 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH2+]C(C)C)c1ccccc1 ZINC000151815501 538808717 /nfs/dbraw/zinc/80/87/17/538808717.db2.gz KSLKHWPZEUUYBN-MRXNPFEDSA-N 2 1 291.439 2.184 20 0 CEADMP Cc1ccccc1[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000726071581 574423589 /nfs/dbraw/zinc/42/35/89/574423589.db2.gz NBCNQBVGBFIMHY-IAGOWNOFSA-N 2 1 288.435 2.241 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccoc2)C[C@H](C)O1 ZINC000727468883 574452416 /nfs/dbraw/zinc/45/24/16/574452416.db2.gz URDOAXISTBNWCM-OKILXGFUSA-N 2 1 266.385 2.259 20 0 CEADMP c1cc(N2CCCC2)nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000733187596 574656474 /nfs/dbraw/zinc/65/64/74/574656474.db2.gz TUNGSTDWABFZOT-KBPBESRZSA-N 2 1 287.411 2.116 20 0 CEADMP c1cc(N2CCCC2)nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000733187596 574656475 /nfs/dbraw/zinc/65/64/75/574656475.db2.gz TUNGSTDWABFZOT-KBPBESRZSA-N 2 1 287.411 2.116 20 0 CEADMP C[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000733614187 574683184 /nfs/dbraw/zinc/68/31/84/574683184.db2.gz CEPIGLFSIOFXEI-INIZCTEOSA-N 2 1 296.842 2.271 20 0 CEADMP C[N@@H+](CCc1ccc(Cl)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000733614187 574683185 /nfs/dbraw/zinc/68/31/85/574683185.db2.gz CEPIGLFSIOFXEI-INIZCTEOSA-N 2 1 296.842 2.271 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)C1CC[NH+](CC)CC1 ZINC000735653639 574763897 /nfs/dbraw/zinc/76/38/97/574763897.db2.gz MNAPNEZRTKTKIB-UHFFFAOYSA-N 2 1 297.487 2.441 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000756073063 574796712 /nfs/dbraw/zinc/79/67/12/574796712.db2.gz UZXQPISHTKDUHW-IHRRRGAJSA-N 2 1 299.459 2.220 20 0 CEADMP Cc1ccc(C[C@H](C)[N@H+](C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000738882399 574883637 /nfs/dbraw/zinc/88/36/37/574883637.db2.gz SHBODGJNCJJLGV-WMZOPIPTSA-N 2 1 290.451 2.315 20 0 CEADMP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000738882399 574883638 /nfs/dbraw/zinc/88/36/38/574883638.db2.gz SHBODGJNCJJLGV-WMZOPIPTSA-N 2 1 290.451 2.315 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000742370602 575017299 /nfs/dbraw/zinc/01/72/99/575017299.db2.gz DLVZAZDASNATPU-BMFZPTHFSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cn1 ZINC000753627498 575332955 /nfs/dbraw/zinc/33/29/55/575332955.db2.gz YWRZYISIFURQDB-DOMZBBRYSA-N 2 1 286.379 2.233 20 0 CEADMP CC(C)CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000981895974 614030423 /nfs/dbraw/zinc/03/04/23/614030423.db2.gz ZQGRBSIUUSSKSE-MRXNPFEDSA-N 2 1 297.487 2.153 20 0 CEADMP CC(C)C[NH+]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948755776 614094313 /nfs/dbraw/zinc/09/43/13/614094313.db2.gz LANIEBWHSKEPKG-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)=CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000981895524 614290877 /nfs/dbraw/zinc/29/08/77/614290877.db2.gz NVSGHZFJAWCZER-MRXNPFEDSA-N 2 1 295.471 2.073 20 0 CEADMP CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000969792485 614970007 /nfs/dbraw/zinc/97/00/07/614970007.db2.gz JTTACXFHUXSYEG-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH2+]C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001024023877 625297551 /nfs/dbraw/zinc/29/75/51/625297551.db2.gz PZSOHDHNPFUGML-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccc(NC[C@@H]2CCC[N@H+](C)C2)c1Br ZINC000892422133 625345873 /nfs/dbraw/zinc/34/58/73/625345873.db2.gz WCZAFCXDAFMPRZ-NSHDSACASA-N 2 1 298.228 2.328 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]CCCc2cnccc2C)C1 ZINC000289304674 623178164 /nfs/dbraw/zinc/17/81/64/623178164.db2.gz RHUFVYLYBPORFI-HNNXBMFYSA-N 2 1 261.413 2.254 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@]1(C)CCOc2ccccc21 ZINC000933374009 623692486 /nfs/dbraw/zinc/69/24/86/623692486.db2.gz JBTYJXPCKLDCOG-INIZCTEOSA-N 2 1 271.364 2.479 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000926191892 623782148 /nfs/dbraw/zinc/78/21/48/623782148.db2.gz BSBZNAMEJSASSY-BFZKSOEOSA-N 2 1 278.440 2.121 20 0 CEADMP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001022201988 623833674 /nfs/dbraw/zinc/83/36/74/623833674.db2.gz PIVGXPSKZMGPNH-LZWOXQAQSA-N 2 1 293.455 2.039 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CC[C@@H]3CC3(Cl)Cl)C[C@]2(C)C1 ZINC000933734176 623983271 /nfs/dbraw/zinc/98/32/71/623983271.db2.gz PUHULTKGTJHSDL-UTUOFQBUSA-N 2 1 277.239 2.454 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CC[C@@H]3CC3(Cl)Cl)C[C@]2(C)C1 ZINC000933734176 623983263 /nfs/dbraw/zinc/98/32/63/623983263.db2.gz PUHULTKGTJHSDL-UTUOFQBUSA-N 2 1 277.239 2.454 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](CC[C@@H]3CC3(Cl)Cl)C[C@]2(C)C1 ZINC000933734176 623983265 /nfs/dbraw/zinc/98/32/65/623983265.db2.gz PUHULTKGTJHSDL-UTUOFQBUSA-N 2 1 277.239 2.454 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CC[C@@H]3CC3(Cl)Cl)C[C@]2(C)C1 ZINC000933734176 623983270 /nfs/dbraw/zinc/98/32/70/623983270.db2.gz PUHULTKGTJHSDL-UTUOFQBUSA-N 2 1 277.239 2.454 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ncnn1C ZINC000926263652 624038825 /nfs/dbraw/zinc/03/88/25/624038825.db2.gz YVVOGUUUPRUJQU-QWHCGFSZSA-N 2 1 287.411 2.289 20 0 CEADMP Cc1cc(N)nc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)[nH+]1 ZINC000891905290 624085879 /nfs/dbraw/zinc/08/58/79/624085879.db2.gz PJOJGMMZOBWBBE-CYBMUJFWSA-N 2 1 289.358 2.221 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2CCC(OC)CC2)C1 ZINC000892141884 624350185 /nfs/dbraw/zinc/35/01/85/624350185.db2.gz AONHVVWSLWUHIG-HWOWSKLDSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2CCC(OC)CC2)C1 ZINC000892141884 624350188 /nfs/dbraw/zinc/35/01/88/624350188.db2.gz AONHVVWSLWUHIG-HWOWSKLDSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2CCC(OC)CC2)C1 ZINC000892141884 624350191 /nfs/dbraw/zinc/35/01/91/624350191.db2.gz AONHVVWSLWUHIG-HWOWSKLDSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000743854455 624928346 /nfs/dbraw/zinc/92/83/46/624928346.db2.gz XTMNHNROBHOMDM-UGUYLWEFSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000743854455 624928351 /nfs/dbraw/zinc/92/83/51/624928351.db2.gz XTMNHNROBHOMDM-UGUYLWEFSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000926544073 625021294 /nfs/dbraw/zinc/02/12/94/625021294.db2.gz ZHJVAUGEOUPZDM-GWONACJQSA-N 2 1 266.429 2.262 20 0 CEADMP CCNc1ccccc1CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000902200542 634521619 /nfs/dbraw/zinc/52/16/19/634521619.db2.gz FYZGRKXMMVYYRQ-HZPDHXFCSA-N 2 1 289.423 2.071 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[NH+]3CCCC[C@H]13)C2 ZINC000820807393 634534358 /nfs/dbraw/zinc/53/43/58/634534358.db2.gz HNYDOLZOTUXLQQ-HMGCCCKFSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000820807393 634534362 /nfs/dbraw/zinc/53/43/62/634534362.db2.gz HNYDOLZOTUXLQQ-HMGCCCKFSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000820807393 634534365 /nfs/dbraw/zinc/53/43/65/634534365.db2.gz HNYDOLZOTUXLQQ-HMGCCCKFSA-N 2 1 289.467 2.361 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cnn(C)c1 ZINC000820810808 634536479 /nfs/dbraw/zinc/53/64/79/634536479.db2.gz FLKJCIKVGINLMU-BPZRQAJTSA-N 2 1 274.412 2.229 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cnn(C)c1 ZINC000820810808 634536486 /nfs/dbraw/zinc/53/64/86/634536486.db2.gz FLKJCIKVGINLMU-BPZRQAJTSA-N 2 1 274.412 2.229 20 0 CEADMP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000892569464 627278125 /nfs/dbraw/zinc/27/81/25/627278125.db2.gz AAKSAICYQCGINQ-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)[N@H+]1CCCC[C@H]1C ZINC000892569464 627278129 /nfs/dbraw/zinc/27/81/29/627278129.db2.gz AAKSAICYQCGINQ-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP CC(=O)OC[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000892585520 627290561 /nfs/dbraw/zinc/29/05/61/627290561.db2.gz VDBPXJKKERMBGN-KBPBESRZSA-N 2 1 270.417 2.182 20 0 CEADMP CCc1onc(C)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000892622540 627319072 /nfs/dbraw/zinc/31/90/72/627319072.db2.gz QWIPVXJSGMTPGZ-UHFFFAOYSA-N 2 1 262.357 2.230 20 0 CEADMP Cn1ncc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1C1CC1 ZINC000892624846 627321265 /nfs/dbraw/zinc/32/12/65/627321265.db2.gz XHWSVZGHTQUXPH-UHFFFAOYSA-N 2 1 288.439 2.262 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C[NH+]1CCCCC1 ZINC000902320242 634568764 /nfs/dbraw/zinc/56/87/64/634568764.db2.gz PGTYAZMYUVXYFC-HZPDHXFCSA-N 3 1 281.488 2.476 20 0 CEADMP C[C@@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000164978862 627390614 /nfs/dbraw/zinc/39/06/14/627390614.db2.gz TZCLSYFEHLQYCF-JONQDZQNSA-N 2 1 295.471 2.131 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902330375 634592820 /nfs/dbraw/zinc/59/28/20/634592820.db2.gz XFRYOEJIXVIABN-HNNXBMFYSA-N 3 1 278.444 2.340 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000892745507 627744721 /nfs/dbraw/zinc/74/47/21/627744721.db2.gz QXIPOEGKTOCDJQ-WLYUNCDWSA-N 2 1 254.418 2.002 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902337234 634598710 /nfs/dbraw/zinc/59/87/10/634598710.db2.gz PYWKPRKKCCGBLG-QLFBSQMISA-N 2 1 267.461 2.227 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000892946848 627879694 /nfs/dbraw/zinc/87/96/94/627879694.db2.gz QGPCAXKDDSAOFL-ZDUSSCGKSA-N 2 1 268.351 2.439 20 0 CEADMP CC[NH+](CC)CCN[C@H](CCC[NH3+])c1ccccc1 ZINC000925506477 628013119 /nfs/dbraw/zinc/01/31/19/628013119.db2.gz ZTQRJOJGNUHPAC-MRXNPFEDSA-N 2 1 263.429 2.398 20 0 CEADMP Cc1[nH+]ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1Cl ZINC000312063290 628089903 /nfs/dbraw/zinc/08/99/03/628089903.db2.gz JMBFJMXAAOKREN-RYUDHWBXSA-N 2 1 281.787 2.319 20 0 CEADMP CCc1nc(C)c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000902388394 634629776 /nfs/dbraw/zinc/62/97/76/634629776.db2.gz PCLWWLAKRWYMKM-GFCCVEGCSA-N 2 1 265.401 2.413 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925547313 628187366 /nfs/dbraw/zinc/18/73/66/628187366.db2.gz NJEWKOUBYVGPJC-QZTJIDSGSA-N 2 1 293.499 2.476 20 0 CEADMP CCn1cnc(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000902405396 634641381 /nfs/dbraw/zinc/64/13/81/634641381.db2.gz KXPQVCFYDKNYFG-HNNXBMFYSA-N 2 1 278.444 2.361 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)C3CC3)CC2)CC1 ZINC000930752059 628261319 /nfs/dbraw/zinc/26/13/19/628261319.db2.gz RMHGXJUGHIOVOX-HNNXBMFYSA-N 2 1 279.472 2.277 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+]CC2([NH3+])CC2)cc1OC ZINC000902416452 634642665 /nfs/dbraw/zinc/64/26/65/634642665.db2.gz OJAKNWCZWFEYPL-NSHDSACASA-N 2 1 264.369 2.154 20 0 CEADMP COc1nc(C)cc(C)c1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925608877 628290401 /nfs/dbraw/zinc/29/04/01/628290401.db2.gz LGZQUIQEGFPBHB-KGLIPLIRSA-N 2 1 275.396 2.067 20 0 CEADMP CCCOc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000925609414 628291798 /nfs/dbraw/zinc/29/17/98/628291798.db2.gz UAJKVTDFYCNAIY-KGLIPLIRSA-N 2 1 275.396 2.230 20 0 CEADMP Cc1cnc([C@H](C)C[NH2+][C@H]2CC[NH2+]C23CCC3)s1 ZINC000925647388 628348848 /nfs/dbraw/zinc/34/88/48/628348848.db2.gz BVAVGCDSOVVNBG-PWSUYJOCSA-N 2 1 265.426 2.429 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000925657638 628365596 /nfs/dbraw/zinc/36/55/96/628365596.db2.gz KMUUMSLIUUKVSQ-ZBFHGGJFSA-N 2 1 288.439 2.196 20 0 CEADMP Cc1cc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)nc(N)[nH+]1 ZINC000053573813 628385510 /nfs/dbraw/zinc/38/55/10/628385510.db2.gz QZUQFTDIQBSPNZ-MJBXVCDLSA-N 2 1 289.427 2.209 20 0 CEADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925685392 628492934 /nfs/dbraw/zinc/49/29/34/628492934.db2.gz MGJVZGRBFLYDNH-MGPQQGTHSA-N 2 1 252.402 2.208 20 0 CEADMP C1CCC([C@@H]2C[NH2+]CC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000925693212 628512780 /nfs/dbraw/zinc/51/27/80/628512780.db2.gz QAWQPPVRIWWYLL-ALILYOIUSA-N 3 1 277.456 2.027 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925701688 628540649 /nfs/dbraw/zinc/54/06/49/628540649.db2.gz DEJGUKGMPNKEEH-IXDOHACOSA-N 3 1 287.451 2.272 20 0 CEADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925702507 628543067 /nfs/dbraw/zinc/54/30/67/628543067.db2.gz AYQFGJKUTGAEDX-CABCVRRESA-N 2 1 254.418 2.168 20 0 CEADMP C[C@H]([NH3+])[C@H](NCCC1CC[NH2+]CC1)c1ccccc1 ZINC000925702658 628543121 /nfs/dbraw/zinc/54/31/21/628543121.db2.gz QMECUYCPRRBFQJ-BBRMVZONSA-N 2 1 261.413 2.054 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1 ZINC000925702658 628543123 /nfs/dbraw/zinc/54/31/23/628543123.db2.gz QMECUYCPRRBFQJ-BBRMVZONSA-N 3 1 261.413 2.054 20 0 CEADMP [NH3+]CCC[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccccc1 ZINC000925709624 628555981 /nfs/dbraw/zinc/55/59/81/628555981.db2.gz ONNRKMZJXIVWTR-CABCVRRESA-N 3 1 297.393 2.301 20 0 CEADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473145 634665522 /nfs/dbraw/zinc/66/55/22/634665522.db2.gz SHMLUSRPHFAINA-WCXIOVBPSA-N 2 1 292.398 2.256 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C12CCCC2 ZINC000902473908 634665834 /nfs/dbraw/zinc/66/58/34/634665834.db2.gz AMUDCFRAOBRCLS-QKGCVVFFSA-N 2 1 264.413 2.207 20 0 CEADMP FCCn1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000902446592 634669280 /nfs/dbraw/zinc/66/92/80/634669280.db2.gz PJQJCQMPGQWNQK-CVEARBPZSA-N 2 1 294.418 2.111 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCCC[NH2+]2)cn1 ZINC000902479409 634669595 /nfs/dbraw/zinc/66/95/95/634669595.db2.gz XMFPICOMXIDUGK-DZGCQCFKSA-N 2 1 277.412 2.143 20 0 CEADMP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2C[NH2+]CC2(C)C)CC1 ZINC000902449024 634672282 /nfs/dbraw/zinc/67/22/82/634672282.db2.gz LFAKPEQQHDKOME-AWEZNQCLSA-N 2 1 295.471 2.001 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000925769003 628762490 /nfs/dbraw/zinc/76/24/90/628762490.db2.gz AFFJHQGVVTYMPS-MGPQQGTHSA-N 2 1 284.350 2.248 20 0 CEADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925798645 628845455 /nfs/dbraw/zinc/84/54/55/628845455.db2.gz RLCKJQKZJZNZOC-ILXRZTDVSA-N 2 1 266.429 2.313 20 0 CEADMP CC(C)O[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(C)C ZINC000902466188 634684137 /nfs/dbraw/zinc/68/41/37/634684137.db2.gz JUCBUNCZMBHHOZ-BJJPWKGXSA-N 2 1 252.402 2.061 20 0 CEADMP C[C@@H](CCCC[NH3+])N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925827360 628917139 /nfs/dbraw/zinc/91/71/39/628917139.db2.gz OATNBIGCFICJLS-GOEBONIOSA-N 2 1 278.444 2.182 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000925827360 628917142 /nfs/dbraw/zinc/91/71/42/628917142.db2.gz OATNBIGCFICJLS-GOEBONIOSA-N 3 1 278.444 2.182 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261576535 628941192 /nfs/dbraw/zinc/94/11/92/628941192.db2.gz CFRORFGIBOUQLM-HOCLYGCPSA-N 2 1 260.381 2.269 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261576535 628941193 /nfs/dbraw/zinc/94/11/93/628941193.db2.gz CFRORFGIBOUQLM-HOCLYGCPSA-N 2 1 260.381 2.269 20 0 CEADMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cccs1 ZINC000925849910 628953631 /nfs/dbraw/zinc/95/36/31/628953631.db2.gz SCCJFFLRIBQUKB-CQSZACIVSA-N 2 1 281.469 2.474 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)CCCn1cc[nH+]c1C ZINC000237116158 628982225 /nfs/dbraw/zinc/98/22/25/628982225.db2.gz CILLEYIKNUQWDH-UHFFFAOYSA-N 2 1 286.379 2.330 20 0 CEADMP COCC[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000447344429 628990367 /nfs/dbraw/zinc/99/03/67/628990367.db2.gz YNFRMKRJKVBLDJ-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)Nc1cc(NC)[nH+]cn1 ZINC000893903533 629036335 /nfs/dbraw/zinc/03/63/35/629036335.db2.gz XCPPLKJAAXTXJD-LLVKDONJSA-N 2 1 251.378 2.051 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)Nc1cc(NC)[nH+]cn1 ZINC000893903533 629036336 /nfs/dbraw/zinc/03/63/36/629036336.db2.gz XCPPLKJAAXTXJD-LLVKDONJSA-N 2 1 251.378 2.051 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000902514542 634709413 /nfs/dbraw/zinc/70/94/13/634709413.db2.gz PGVKJLSHQJDNAZ-KKUMJFAQSA-N 2 1 269.477 2.458 20 0 CEADMP CC(C)C[C@]1(CO)CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000893964256 629063513 /nfs/dbraw/zinc/06/35/13/629063513.db2.gz MKZOTVQVHDUIAZ-INIZCTEOSA-N 2 1 268.445 2.201 20 0 CEADMP Oc1cccc2sc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc21 ZINC000894097786 629123650 /nfs/dbraw/zinc/12/36/50/629123650.db2.gz PXOSVOKQFLPCDR-QWRGUYRKSA-N 2 1 274.389 2.258 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(N)c2)[C@@H](C)C1 ZINC000261718351 629149598 /nfs/dbraw/zinc/14/95/98/629149598.db2.gz QTODPYJKQUKLPR-XJKSGUPXSA-N 2 1 261.413 2.431 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(N)c2)[C@@H](C)C1 ZINC000261718351 629149602 /nfs/dbraw/zinc/14/96/02/629149602.db2.gz QTODPYJKQUKLPR-XJKSGUPXSA-N 2 1 261.413 2.431 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(N)c2)[C@@H](C)C1 ZINC000261718351 629149605 /nfs/dbraw/zinc/14/96/05/629149605.db2.gz QTODPYJKQUKLPR-XJKSGUPXSA-N 2 1 261.413 2.431 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CCCCCC[NH3+] ZINC000237031705 629162582 /nfs/dbraw/zinc/16/25/82/629162582.db2.gz LBQKRDBKHQIQNM-HNNXBMFYSA-N 2 1 283.460 2.276 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902521412 634713628 /nfs/dbraw/zinc/71/36/28/634713628.db2.gz SJYRNYAVIQHBEL-NOENWEJRSA-N 2 1 296.414 2.193 20 0 CEADMP C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(C2([NH3+])CCCC2)no1 ZINC000261772898 629189769 /nfs/dbraw/zinc/18/97/69/629189769.db2.gz NEZFPCDGWIOUPX-GHMZBOCLSA-N 2 1 264.373 2.170 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000894196151 629202464 /nfs/dbraw/zinc/20/24/64/629202464.db2.gz SJQOHMYJNRQZFL-ZDUSSCGKSA-N 2 1 276.428 2.184 20 0 CEADMP C[C@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCOC1 ZINC000679573669 629247162 /nfs/dbraw/zinc/24/71/62/629247162.db2.gz BOCNUPMPGULIEW-XUWVNRHRSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCOC1 ZINC000679573669 629247165 /nfs/dbraw/zinc/24/71/65/629247165.db2.gz BOCNUPMPGULIEW-XUWVNRHRSA-N 2 1 268.445 2.369 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000928011816 629286503 /nfs/dbraw/zinc/28/65/03/629286503.db2.gz IKMRLXQZYRHEDN-UHFFFAOYSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]1CC[C@H](C)C1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000924956903 629294420 /nfs/dbraw/zinc/29/44/20/629294420.db2.gz BXLBJNFJIJMKSL-GJZGRUSLSA-N 2 1 281.488 2.284 20 0 CEADMP CC(C)[C@H]1C[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)CS1 ZINC000894377612 629409580 /nfs/dbraw/zinc/40/95/80/629409580.db2.gz CINPXXGZVWPJOO-JKSUJKDBSA-N 2 1 299.528 2.134 20 0 CEADMP COc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000894417534 629447607 /nfs/dbraw/zinc/44/76/07/629447607.db2.gz PLAVVNKKJRZRNS-FUNVUKJBSA-N 2 1 264.369 2.345 20 0 CEADMP Cc1cc[nH+]c(N)c1CN(CCC[NH3+])c1ccccc1F ZINC000894446495 629465763 /nfs/dbraw/zinc/46/57/63/629465763.db2.gz UNLHXJNMHNYUAS-UHFFFAOYSA-N 2 1 288.370 2.467 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNCc2cnn(C)c2C2CC2)C1 ZINC000894458383 629472570 /nfs/dbraw/zinc/47/25/70/629472570.db2.gz SQKADGZJAIPCTI-CYBMUJFWSA-N 2 1 276.428 2.117 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(C)c2C2CC2)C1 ZINC000894458383 629472572 /nfs/dbraw/zinc/47/25/72/629472572.db2.gz SQKADGZJAIPCTI-CYBMUJFWSA-N 2 1 276.428 2.117 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnn(C)c2C2CC2)C1 ZINC000894458383 629472576 /nfs/dbraw/zinc/47/25/76/629472576.db2.gz SQKADGZJAIPCTI-CYBMUJFWSA-N 2 1 276.428 2.117 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)C[C@H]1C[C@]1(C)Br ZINC000894472740 629476177 /nfs/dbraw/zinc/47/61/77/629476177.db2.gz VUWFZIFDSUQUGB-NEPJUHHUSA-N 2 1 277.250 2.434 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894528358 629514338 /nfs/dbraw/zinc/51/43/38/629514338.db2.gz SICLWKVUWDSFIP-HNSVSWJLSA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894528358 629514342 /nfs/dbraw/zinc/51/43/42/629514342.db2.gz SICLWKVUWDSFIP-HNSVSWJLSA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894528358 629514346 /nfs/dbraw/zinc/51/43/46/629514346.db2.gz SICLWKVUWDSFIP-HNSVSWJLSA-N 2 1 267.461 2.322 20 0 CEADMP CC(C)[C@]1(CO)CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000894646744 629572708 /nfs/dbraw/zinc/57/27/08/629572708.db2.gz ZGNKRULXYWCASA-MRXNPFEDSA-N 2 1 268.445 2.059 20 0 CEADMP Cc1cc(N)nc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)[nH+]1 ZINC000894719950 629606870 /nfs/dbraw/zinc/60/68/70/629606870.db2.gz RHLBJAHZVFWZOP-ZDUSSCGKSA-N 2 1 275.400 2.186 20 0 CEADMP Cc1cc(N)nc(NC[C@@H]2CC[N@H+]2C2CCCCC2)[nH+]1 ZINC000894719950 629606873 /nfs/dbraw/zinc/60/68/73/629606873.db2.gz RHLBJAHZVFWZOP-ZDUSSCGKSA-N 2 1 275.400 2.186 20 0 CEADMP CSc1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000894787206 629642028 /nfs/dbraw/zinc/64/20/28/629642028.db2.gz OELHKPBTUXZCDO-UHFFFAOYSA-N 2 1 299.484 2.317 20 0 CEADMP CN(C)c1cc[nH+]c(NCc2ncc(C[NH+](C)C)s2)c1 ZINC000795791283 629675319 /nfs/dbraw/zinc/67/53/19/629675319.db2.gz XKEDNJNMINVWPG-UHFFFAOYSA-N 2 1 291.424 2.278 20 0 CEADMP C[N@@H+](C[C@@H](O)CN1CCCC1)C(C)(C)c1ccccc1 ZINC000792924313 629732762 /nfs/dbraw/zinc/73/27/62/629732762.db2.gz ICLDOFBWCZYDKJ-MRXNPFEDSA-N 2 1 276.424 2.310 20 0 CEADMP CN(C[C@@H](O)C[NH+]1CCCC1)C(C)(C)c1ccccc1 ZINC000792924313 629732765 /nfs/dbraw/zinc/73/27/65/629732765.db2.gz ICLDOFBWCZYDKJ-MRXNPFEDSA-N 2 1 276.424 2.310 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)(C)c1ccccc1 ZINC000792924313 629732769 /nfs/dbraw/zinc/73/27/69/629732769.db2.gz ICLDOFBWCZYDKJ-MRXNPFEDSA-N 2 1 276.424 2.310 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)(C)c1ccccc1 ZINC000792924313 629732771 /nfs/dbraw/zinc/73/27/71/629732771.db2.gz ICLDOFBWCZYDKJ-MRXNPFEDSA-N 2 1 276.424 2.310 20 0 CEADMP C[C@@H]1CC([NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@@H](C)O1 ZINC000796343417 629858747 /nfs/dbraw/zinc/85/87/47/629858747.db2.gz BGIWNABPBLFDEN-GHMZBOCLSA-N 2 1 283.441 2.250 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C)(O)CC2)[C@@H]2CCC[C@@H]21 ZINC000796799526 630011913 /nfs/dbraw/zinc/01/19/13/630011913.db2.gz QFKDORFUZUHLAR-OEMZWJQQSA-N 2 1 266.429 2.142 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOC2CCC2)[C@H]2CCC[C@H]21 ZINC000796887423 630052474 /nfs/dbraw/zinc/05/24/74/630052474.db2.gz IDUUBMWPVIZMSE-QLFBSQMISA-N 2 1 252.402 2.018 20 0 CEADMP Cc1cnn(C)c1C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895379567 630150724 /nfs/dbraw/zinc/15/07/24/630150724.db2.gz MGIFAQKWVWIION-HUUCEWRRSA-N 2 1 278.444 2.281 20 0 CEADMP Cc1cnn(C)c1C[N@@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895379567 630150727 /nfs/dbraw/zinc/15/07/27/630150727.db2.gz MGIFAQKWVWIION-HUUCEWRRSA-N 2 1 278.444 2.281 20 0 CEADMP C[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000895382805 630153852 /nfs/dbraw/zinc/15/38/52/630153852.db2.gz CNXLQSXGTUFKBQ-INIZCTEOSA-N 3 1 279.472 2.325 20 0 CEADMP C[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000895382805 630153857 /nfs/dbraw/zinc/15/38/57/630153857.db2.gz CNXLQSXGTUFKBQ-INIZCTEOSA-N 3 1 279.472 2.325 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)nc1 ZINC000895478880 630214141 /nfs/dbraw/zinc/21/41/41/630214141.db2.gz GJTGTZGURDBITR-HNNXBMFYSA-N 2 1 289.423 2.302 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)nc1 ZINC000895478880 630214145 /nfs/dbraw/zinc/21/41/45/630214145.db2.gz GJTGTZGURDBITR-HNNXBMFYSA-N 2 1 289.423 2.302 20 0 CEADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000895574094 630254928 /nfs/dbraw/zinc/25/49/28/630254928.db2.gz MSQFOBDXTYLFMG-UHFFFAOYSA-N 2 1 299.459 2.175 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnc(N)s1 ZINC000895686319 630301509 /nfs/dbraw/zinc/30/15/09/630301509.db2.gz RGRDBQLQLUQVPW-UHFFFAOYSA-N 2 1 282.457 2.423 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C(C)C)C2)C1 ZINC000984644893 630537334 /nfs/dbraw/zinc/53/73/34/630537334.db2.gz HPGUYJLAOOYVLK-BZUAXINKSA-N 2 1 295.471 2.001 20 0 CEADMP CCO[C@@H](C[NH2+]C[C@H]1CCc2ccccc21)C[NH+](C)C ZINC000896880552 630699448 /nfs/dbraw/zinc/69/94/48/630699448.db2.gz XBSPVJQQCWHODF-CVEARBPZSA-N 2 1 276.424 2.273 20 0 CEADMP COC(=O)CC1(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000799324303 631010954 /nfs/dbraw/zinc/01/09/54/631010954.db2.gz APQOTBLKMSYFRS-UHFFFAOYSA-N 2 1 294.439 2.138 20 0 CEADMP C[N@@H+](CCC1CCOCC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904323066 635569668 /nfs/dbraw/zinc/56/96/68/635569668.db2.gz LLZPFRAXHSTVIU-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@]2(C)CCC[NH2+]C2)C[C@@H]1C ZINC000904341487 635579248 /nfs/dbraw/zinc/57/92/48/635579248.db2.gz SCFYOIYWRJTEIQ-HRCADAONSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H](C[C@H]1CCOC1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000825332521 635618856 /nfs/dbraw/zinc/61/88/56/635618856.db2.gz ZKUABHPCVNCFRO-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](C[C@H]1CCOC1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000825332521 635618858 /nfs/dbraw/zinc/61/88/58/635618858.db2.gz ZKUABHPCVNCFRO-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H](C[C@@H](C)CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925187718 631160285 /nfs/dbraw/zinc/16/02/85/631160285.db2.gz NFGPTAJBIPCXJM-DQIHPLBOSA-N 2 1 298.471 2.015 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)C(C)C)CC1 ZINC000985803853 631183975 /nfs/dbraw/zinc/18/39/75/631183975.db2.gz LLBXDUNPRGGWFQ-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH+](C)C(C)C)CC1 ZINC000985803853 631183972 /nfs/dbraw/zinc/18/39/72/631183972.db2.gz LLBXDUNPRGGWFQ-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC([N@H+](C)C(C)C)CC1 ZINC000985803853 631183973 /nfs/dbraw/zinc/18/39/73/631183973.db2.gz LLBXDUNPRGGWFQ-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H](C1CCCCC1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000801600429 631298308 /nfs/dbraw/zinc/29/83/08/631298308.db2.gz GIBKRAJDSZJTPZ-ZBFHGGJFSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@H](C1CCCCC1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000801600429 631298316 /nfs/dbraw/zinc/29/83/16/631298316.db2.gz GIBKRAJDSZJTPZ-ZBFHGGJFSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000251916444 631665723 /nfs/dbraw/zinc/66/57/23/631665723.db2.gz YCKPAGYDBDDAIY-DKUMPPAJSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCO4)C[C@]2(C)C1 ZINC000897621790 631828368 /nfs/dbraw/zinc/82/83/68/631828368.db2.gz TXYYCODOSQXANA-WBVHZDCISA-N 2 1 272.392 2.005 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCO4)C[C@]2(C)C1 ZINC000897621790 631828372 /nfs/dbraw/zinc/82/83/72/631828372.db2.gz TXYYCODOSQXANA-WBVHZDCISA-N 2 1 272.392 2.005 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCO4)C[C@]2(C)C1 ZINC000897621790 631828376 /nfs/dbraw/zinc/82/83/76/631828376.db2.gz TXYYCODOSQXANA-WBVHZDCISA-N 2 1 272.392 2.005 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)C[C@]2(C)C1 ZINC000897621790 631828379 /nfs/dbraw/zinc/82/83/79/631828379.db2.gz TXYYCODOSQXANA-WBVHZDCISA-N 2 1 272.392 2.005 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000897792020 631918429 /nfs/dbraw/zinc/91/84/29/631918429.db2.gz CQAMTRXMMZTZEK-KGLIPLIRSA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897792020 631918432 /nfs/dbraw/zinc/91/84/32/631918432.db2.gz CQAMTRXMMZTZEK-KGLIPLIRSA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897792020 631918434 /nfs/dbraw/zinc/91/84/34/631918434.db2.gz CQAMTRXMMZTZEK-KGLIPLIRSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000808727222 632007637 /nfs/dbraw/zinc/00/76/37/632007637.db2.gz DJAOFHSBDCDTFM-AWEZNQCLSA-N 2 1 252.402 2.019 20 0 CEADMP CC(C)C(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000808727222 632007644 /nfs/dbraw/zinc/00/76/44/632007644.db2.gz DJAOFHSBDCDTFM-AWEZNQCLSA-N 2 1 252.402 2.019 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc3nonc3c2)CC1 ZINC000897991946 632008807 /nfs/dbraw/zinc/00/88/07/632008807.db2.gz WOHWQDJVRIJJCZ-UHFFFAOYSA-N 2 1 274.368 2.187 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@]23C[C@H]2COC32CCC2)CC1(C)C ZINC000898062262 632038657 /nfs/dbraw/zinc/03/86/57/632038657.db2.gz NCZPITUNNZOIRR-SQWLQELKSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000898298512 632157350 /nfs/dbraw/zinc/15/73/50/632157350.db2.gz NUCNWPKLBIMYPS-MRXNPFEDSA-N 2 1 296.374 2.280 20 0 CEADMP C[N@H+]1CC[C@H](C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000898298579 632157542 /nfs/dbraw/zinc/15/75/42/632157542.db2.gz PSWFSXNYAVWGSG-ZDUSSCGKSA-N 2 1 296.374 2.137 20 0 CEADMP COC(=O)c1ccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC000898307952 632166078 /nfs/dbraw/zinc/16/60/78/632166078.db2.gz KANAGYUVVIBZPG-UHFFFAOYSA-N 2 1 292.423 2.493 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC000898307952 632166081 /nfs/dbraw/zinc/16/60/81/632166081.db2.gz KANAGYUVVIBZPG-UHFFFAOYSA-N 2 1 292.423 2.493 20 0 CEADMP CO[C@](C)(C[N@@H+](C)CC(C)(C)C[NH+](C)C)C1CC1 ZINC000898308122 632166570 /nfs/dbraw/zinc/16/65/70/632166570.db2.gz OXVMTBRWGVAOAD-OAHLLOKOSA-N 2 1 256.434 2.321 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989482749 632184963 /nfs/dbraw/zinc/18/49/63/632184963.db2.gz HKTKORXSJKIDIT-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)C[NH+](C)C ZINC000926957342 632384513 /nfs/dbraw/zinc/38/45/13/632384513.db2.gz AAWRDCCKIGSMSZ-KFWWJZLASA-N 2 1 254.418 2.121 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@H]1C(C)C)C[NH+](C)C ZINC000926959208 632386514 /nfs/dbraw/zinc/38/65/14/632386514.db2.gz ACENIGNYMSNPQB-QLFBSQMISA-N 2 1 256.434 2.367 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)[C@H](C)C1 ZINC000926964120 632392867 /nfs/dbraw/zinc/39/28/67/632392867.db2.gz QHYCMYFPAXJXIS-AGIUHOORSA-N 2 1 295.393 2.189 20 0 CEADMP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000924689184 632419640 /nfs/dbraw/zinc/41/96/40/632419640.db2.gz WYWNRIVLHAIYKU-PMPSAXMXSA-N 2 1 295.471 2.145 20 0 CEADMP Cn1nc(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1C1CC1 ZINC000927108810 632466084 /nfs/dbraw/zinc/46/60/84/632466084.db2.gz TVJXCCNWQPRRIB-OWCLPIDISA-N 2 1 288.439 2.260 20 0 CEADMP Cn1nc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1C1CC1 ZINC000927108810 632466089 /nfs/dbraw/zinc/46/60/89/632466089.db2.gz TVJXCCNWQPRRIB-OWCLPIDISA-N 2 1 288.439 2.260 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000898512158 632523485 /nfs/dbraw/zinc/52/34/85/632523485.db2.gz IGZMORVIDZIFSJ-IRXDYDNUSA-N 2 1 280.456 2.467 20 0 CEADMP CON1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000924751933 632730433 /nfs/dbraw/zinc/73/04/33/632730433.db2.gz LYRUSPOHAYYQMN-AWEZNQCLSA-N 2 1 283.460 2.112 20 0 CEADMP CON1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000924751933 632730437 /nfs/dbraw/zinc/73/04/37/632730437.db2.gz LYRUSPOHAYYQMN-AWEZNQCLSA-N 2 1 283.460 2.112 20 0 CEADMP Cc1[nH+]c(N)ccc1-c1ccc2c(c1)CC[C@@H]([NH3+])C2 ZINC000899322057 632783505 /nfs/dbraw/zinc/78/35/05/632783505.db2.gz CRGDLBGRBMLPOJ-CQSZACIVSA-N 2 1 253.349 2.455 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc2ccccc2[nH]1 ZINC000924756713 632864508 /nfs/dbraw/zinc/86/45/08/632864508.db2.gz MEIHUWXQUXVNHH-HIFRSBDPSA-N 2 1 287.407 2.275 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc2ccccc2[nH]1 ZINC000924756718 632864716 /nfs/dbraw/zinc/86/47/16/632864716.db2.gz MEIHUWXQUXVNHH-ZFWWWQNUSA-N 2 1 287.407 2.275 20 0 CEADMP CC(C)CCOCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815145196 632971536 /nfs/dbraw/zinc/97/15/36/632971536.db2.gz PEIABTLKUMZKSN-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000815145196 632971541 /nfs/dbraw/zinc/97/15/41/632971541.db2.gz PEIABTLKUMZKSN-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000815145196 632971544 /nfs/dbraw/zinc/97/15/44/632971544.db2.gz PEIABTLKUMZKSN-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@]1(C)CCCO1 ZINC000815579760 633033610 /nfs/dbraw/zinc/03/36/10/633033610.db2.gz UGWOIOJGEPPCCF-UAGQMJEPSA-N 2 1 296.455 2.177 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000900017584 633179722 /nfs/dbraw/zinc/17/97/22/633179722.db2.gz NEQQXKQTLCHFPA-ZDUSSCGKSA-N 2 1 278.400 2.157 20 0 CEADMP CCCCOC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000817880361 633750775 /nfs/dbraw/zinc/75/07/75/633750775.db2.gz QIKJQFCIODQBEN-MCIONIFRSA-N 2 1 270.417 2.025 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000817888067 633751899 /nfs/dbraw/zinc/75/18/99/633751899.db2.gz ACRDRRCVZKYLTM-JHJVBQTASA-N 2 1 288.313 2.208 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(CN[C@H](C)[C@@H]2CCCC[NH2+]2)cn1 ZINC000817889159 633753412 /nfs/dbraw/zinc/75/34/12/633753412.db2.gz NEYWWQFIPLJXSN-CJNGLKHVSA-N 2 1 299.422 2.196 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)c1ccccc1C)[C@@H]1CCC[NH2+]1 ZINC000817890565 633753501 /nfs/dbraw/zinc/75/35/01/633753501.db2.gz UJKNLNLRKOJRHT-HRCADAONSA-N 2 1 262.397 2.149 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)C34CC[NH+](CC3)C4)c2C1 ZINC000900528572 633757853 /nfs/dbraw/zinc/75/78/53/633757853.db2.gz HMMWNXQSVFXQDE-UHFFFAOYSA-N 2 1 299.418 2.447 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)C34CC[NH+](CC3)C4)c2C1 ZINC000900528572 633757858 /nfs/dbraw/zinc/75/78/58/633757858.db2.gz HMMWNXQSVFXQDE-UHFFFAOYSA-N 2 1 299.418 2.447 20 0 CEADMP C[C@@H]([NH2+]CCCOc1ccccc1F)[C@H]1CCC[NH2+]1 ZINC000817898585 633758967 /nfs/dbraw/zinc/75/89/67/633758967.db2.gz JMPNWUYCXKEHKC-TZMCWYRMSA-N 2 1 266.360 2.325 20 0 CEADMP COc1cc(C[NH2+][C@H](C)C2C[NH2+]C2)ccc1OC(C)C ZINC000817899531 633760249 /nfs/dbraw/zinc/76/02/49/633760249.db2.gz GHZFGTLLDBQIOF-GFCCVEGCSA-N 2 1 278.396 2.180 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900896 633761742 /nfs/dbraw/zinc/76/17/42/633761742.db2.gz QOVGLUSQKKGFPH-RDHHWEPZSA-N 3 1 279.472 2.371 20 0 CEADMP CC[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)[C@@H]1CCC[NH2+]1 ZINC000817913676 633772548 /nfs/dbraw/zinc/77/25/48/633772548.db2.gz QOGUOXBIXIQECK-HZSPNIEDSA-N 2 1 268.426 2.076 20 0 CEADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817914207 633774109 /nfs/dbraw/zinc/77/41/09/633774109.db2.gz UZQJXGWXHMJLRY-KCXAZCMYSA-N 2 1 259.397 2.205 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000817958369 633801777 /nfs/dbraw/zinc/80/17/77/633801777.db2.gz IWSXLNDEPXFIIT-BBRMVZONSA-N 2 1 289.423 2.447 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000817962230 633805036 /nfs/dbraw/zinc/80/50/36/633805036.db2.gz JPIVNGSJNJMWIW-YUMQZZPRSA-N 2 1 290.180 2.229 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(N2CCCC2=O)cc1 ZINC000817964662 633806670 /nfs/dbraw/zinc/80/66/70/633806670.db2.gz HQOCXTFTYUFWSS-CYBMUJFWSA-N 2 1 287.407 2.345 20 0 CEADMP C[C@@H](O)c1ncc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000818431975 633921117 /nfs/dbraw/zinc/92/11/17/633921117.db2.gz YRRUUYIPMAMGQY-NWDGAFQWSA-N 2 1 295.452 2.160 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000818967753 634019977 /nfs/dbraw/zinc/01/99/77/634019977.db2.gz AQPKMWHRAWPKAD-OAHLLOKOSA-N 2 1 295.333 2.183 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000819151937 634086576 /nfs/dbraw/zinc/08/65/76/634086576.db2.gz IOZWZIIVNFYYBL-RHSMWYFYSA-N 2 1 294.414 2.427 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000819152457 634086602 /nfs/dbraw/zinc/08/66/02/634086602.db2.gz UOYYJANBKLUOLF-DOTOQJQBSA-N 2 1 276.424 2.288 20 0 CEADMP C[C@H](CC[NH2+]C[C@H](O)c1ccc(F)cn1)[NH+]1CCCCC1 ZINC000819230658 634110878 /nfs/dbraw/zinc/11/08/78/634110878.db2.gz KODFRWGRYODQLU-CJNGLKHVSA-N 2 1 295.402 2.108 20 0 CEADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(F)c1 ZINC000819278281 634126109 /nfs/dbraw/zinc/12/61/09/634126109.db2.gz NJSGBPGGKFTLDO-JCYILVPMSA-N 2 1 292.398 2.466 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@@]1(C)CC1(Cl)Cl)C1CC1 ZINC000819350896 634149989 /nfs/dbraw/zinc/14/99/89/634149989.db2.gz TXOHCOPCALPSQL-RYUDHWBXSA-N 2 1 295.254 2.005 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@@]1(C)CC1(Cl)Cl)C1CC1 ZINC000819350896 634149997 /nfs/dbraw/zinc/14/99/97/634149997.db2.gz TXOHCOPCALPSQL-RYUDHWBXSA-N 2 1 295.254 2.005 20 0 CEADMP CCCn1cc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)nn1 ZINC000902791834 634835683 /nfs/dbraw/zinc/83/56/83/634835683.db2.gz YBKXWYQAPDHMFL-OLZOCXBDSA-N 2 1 290.415 2.180 20 0 CEADMP NC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903057648 634949171 /nfs/dbraw/zinc/94/91/71/634949171.db2.gz JXRHLBGNYDOLAI-ZXFUBFMLSA-N 2 1 299.418 2.033 20 0 CEADMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000903194193 635005560 /nfs/dbraw/zinc/00/55/60/635005560.db2.gz KGRYPYSYIZKEMM-VSZNYVQBSA-N 2 1 288.435 2.489 20 0 CEADMP CN(C)c1cc[nH+]c(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000903198104 635008476 /nfs/dbraw/zinc/00/84/76/635008476.db2.gz FZSWJBZSDVDNQH-GVDBMIGSSA-N 2 1 288.439 2.110 20 0 CEADMP CN(C)c1ccnc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000903198104 635008477 /nfs/dbraw/zinc/00/84/77/635008477.db2.gz FZSWJBZSDVDNQH-GVDBMIGSSA-N 2 1 288.439 2.110 20 0 CEADMP CN(C)c1ccnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000903198104 635008480 /nfs/dbraw/zinc/00/84/80/635008480.db2.gz FZSWJBZSDVDNQH-GVDBMIGSSA-N 2 1 288.439 2.110 20 0 CEADMP C[N@H+]1CCCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903206884 635015976 /nfs/dbraw/zinc/01/59/76/635015976.db2.gz MTKAQWOCDFOTON-UNPWZGGWSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903206884 635015979 /nfs/dbraw/zinc/01/59/79/635015979.db2.gz MTKAQWOCDFOTON-UNPWZGGWSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903206884 635015985 /nfs/dbraw/zinc/01/59/85/635015985.db2.gz MTKAQWOCDFOTON-UNPWZGGWSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903206884 635015988 /nfs/dbraw/zinc/01/59/88/635015988.db2.gz MTKAQWOCDFOTON-UNPWZGGWSA-N 3 1 291.483 2.466 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903206884 635015994 /nfs/dbraw/zinc/01/59/94/635015994.db2.gz MTKAQWOCDFOTON-UNPWZGGWSA-N 3 1 291.483 2.466 20 0 CEADMP C[NH+]1CCCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903206884 635015998 /nfs/dbraw/zinc/01/59/98/635015998.db2.gz MTKAQWOCDFOTON-UNPWZGGWSA-N 3 1 291.483 2.466 20 0 CEADMP C[NH+]1CCCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903206884 635016004 /nfs/dbraw/zinc/01/60/04/635016004.db2.gz MTKAQWOCDFOTON-UNPWZGGWSA-N 3 1 291.483 2.466 20 0 CEADMP C1CC1[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903224314 635024386 /nfs/dbraw/zinc/02/43/86/635024386.db2.gz UIIKJPCGMDVNQK-DAQHESOFSA-N 2 1 276.424 2.301 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000903434582 635115744 /nfs/dbraw/zinc/11/57/44/635115744.db2.gz IBUAJYPPROAFDT-LAVFITLUSA-N 2 1 288.435 2.430 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)C1 ZINC000903438503 635117791 /nfs/dbraw/zinc/11/77/91/635117791.db2.gz WTPJDCQLVSMGBT-YXJHDRRASA-N 2 1 288.435 2.486 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCc2ccns2)C1 ZINC000903460602 635125906 /nfs/dbraw/zinc/12/59/06/635125906.db2.gz FKBXENNHBGWBRV-VHDGCEQUSA-N 2 1 295.452 2.046 20 0 CEADMP C[C@H]1CN(C)c2ccccc2C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903443792 635129738 /nfs/dbraw/zinc/12/97/38/635129738.db2.gz HVEMGELJGIZFID-LZWOXQAQSA-N 2 1 273.424 2.454 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCNC[C@H]2c2ccccc2Cl)C1 ZINC000903452468 635135609 /nfs/dbraw/zinc/13/56/09/635135609.db2.gz MYBPGZAEMGZZQQ-ZENOOKHLSA-N 2 1 293.842 2.414 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCNC[C@H]2c2ccccc2Cl)C1 ZINC000903452468 635135612 /nfs/dbraw/zinc/13/56/12/635135612.db2.gz MYBPGZAEMGZZQQ-ZENOOKHLSA-N 2 1 293.842 2.414 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000903454854 635137865 /nfs/dbraw/zinc/13/78/65/635137865.db2.gz KYGZKFJLGSSYTG-RMPHRYRLSA-N 2 1 280.334 2.072 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1)c1nccs1 ZINC000903454402 635138394 /nfs/dbraw/zinc/13/83/94/635138394.db2.gz BJNBDDSFMVQULT-TUAOUCFPSA-N 2 1 253.415 2.306 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C)c1nccs1 ZINC000903455486 635138782 /nfs/dbraw/zinc/13/87/82/635138782.db2.gz WRSVNIVMSAHBAV-WOPDTQHZSA-N 2 1 253.415 2.034 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000903475788 635144879 /nfs/dbraw/zinc/14/48/79/635144879.db2.gz DANCZZAMWJADIZ-DOMZBBRYSA-N 2 1 257.381 2.455 20 0 CEADMP Cn1c(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)nc2ccccc21 ZINC000903484807 635151702 /nfs/dbraw/zinc/15/17/02/635151702.db2.gz VWOOQRWEQHYLDL-MRXNPFEDSA-N 2 1 298.434 2.380 20 0 CEADMP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)nc1 ZINC000903484692 635151812 /nfs/dbraw/zinc/15/18/12/635151812.db2.gz VJWNDBSSDWNEBX-HNNXBMFYSA-N 2 1 259.397 2.197 20 0 CEADMP C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)C1CCC1 ZINC000903505826 635154239 /nfs/dbraw/zinc/15/42/39/635154239.db2.gz IGMUEMNUPVSWOY-CALCHBBNSA-N 2 1 277.456 2.077 20 0 CEADMP C(C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)C1CCC1 ZINC000903505826 635154243 /nfs/dbraw/zinc/15/42/43/635154243.db2.gz IGMUEMNUPVSWOY-CALCHBBNSA-N 2 1 277.456 2.077 20 0 CEADMP C(C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)C1CCC1 ZINC000903505826 635154247 /nfs/dbraw/zinc/15/42/47/635154247.db2.gz IGMUEMNUPVSWOY-CALCHBBNSA-N 2 1 277.456 2.077 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2F)C[C@H]1CC[NH3+] ZINC000903496426 635157086 /nfs/dbraw/zinc/15/70/86/635157086.db2.gz NEIMREWUXUGKDX-CHWSQXEVSA-N 2 1 293.386 2.071 20 0 CEADMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCCCCC2)C[C@H]1CC[NH3+] ZINC000903494490 635157491 /nfs/dbraw/zinc/15/74/91/635157491.db2.gz GOXLZHZXTLEKSV-HUUCEWRRSA-N 2 1 295.471 2.132 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCCCCC1 ZINC000903718908 635233675 /nfs/dbraw/zinc/23/36/75/635233675.db2.gz TUHGUTCFCDXXQE-JKSUJKDBSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718345 635233777 /nfs/dbraw/zinc/23/37/77/635233777.db2.gz KZBHLGXMMPPWIG-DJIMGWMZSA-N 2 1 274.408 2.448 20 0 CEADMP COc1ccc(OCC[N@@H+](C)C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903719434 635233930 /nfs/dbraw/zinc/23/39/30/635233930.db2.gz ZPMRMWFNYUPHBB-HNNXBMFYSA-N 2 1 292.423 2.396 20 0 CEADMP CC[N@@H+](CCc1ccccc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903721669 635234861 /nfs/dbraw/zinc/23/48/61/635234861.db2.gz CXMGTXRTIKDASV-MSOLQXFVSA-N 2 1 288.435 2.320 20 0 CEADMP C[N@H+](Cc1ccc(F)c(F)c1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722989 635236138 /nfs/dbraw/zinc/23/61/38/635236138.db2.gz FPPVLSXETTXKAY-CJNGLKHVSA-N 2 1 296.361 2.165 20 0 CEADMP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@H]1C1CCC1 ZINC000903727755 635239901 /nfs/dbraw/zinc/23/99/01/635239901.db2.gz XDKVDSFZWCEHQE-HOTGVXAUSA-N 2 1 278.440 2.410 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)OC1CCSCC1 ZINC000903749829 635247760 /nfs/dbraw/zinc/24/77/60/635247760.db2.gz PXCOTFPHUBUBKO-CABCVRRESA-N 2 1 298.496 2.220 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903764940 635258207 /nfs/dbraw/zinc/25/82/07/635258207.db2.gz CHLDQDNZJGVCLT-JJXSEGSLSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@]1(C(F)(F)F)CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903781552 635267305 /nfs/dbraw/zinc/26/73/05/635267305.db2.gz UCEKMAQKJYGOCI-AGIUHOORSA-N 2 1 292.345 2.029 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903788324 635270767 /nfs/dbraw/zinc/27/07/67/635270767.db2.gz IORNWWVOCXYNEG-UTUOFQBUSA-N 2 1 280.334 2.157 20 0 CEADMP Cc1cnc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)cn1 ZINC000903810752 635284503 /nfs/dbraw/zinc/28/45/03/635284503.db2.gz GRUDPDDPIPNWFJ-OAHLLOKOSA-N 2 1 274.412 2.269 20 0 CEADMP Cc1cnc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)cn1 ZINC000903810752 635284509 /nfs/dbraw/zinc/28/45/09/635284509.db2.gz GRUDPDDPIPNWFJ-OAHLLOKOSA-N 2 1 274.412 2.269 20 0 CEADMP CC(C)OCC[C@@H](O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810344 635284745 /nfs/dbraw/zinc/28/47/45/635284745.db2.gz BGSAAMGIAYRPCT-HZPDHXFCSA-N 2 1 298.471 2.146 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@H]2C[C@@]23CCOC3)CCC1 ZINC000903811232 635285454 /nfs/dbraw/zinc/28/54/54/635285454.db2.gz KFXBLSDDNIARKK-HLLBOEOZSA-N 2 1 278.440 2.397 20 0 CEADMP CCn1nnc(C)c1C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812629 635286072 /nfs/dbraw/zinc/28/60/72/635286072.db2.gz UXPVHUMKIAVOHY-OAHLLOKOSA-N 2 1 291.443 2.090 20 0 CEADMP CCn1nnc(C)c1C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812629 635286076 /nfs/dbraw/zinc/28/60/76/635286076.db2.gz UXPVHUMKIAVOHY-OAHLLOKOSA-N 2 1 291.443 2.090 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCO[C@H]2CC2(F)F)CCC1 ZINC000903813227 635287588 /nfs/dbraw/zinc/28/75/88/635287588.db2.gz ZIGHBYRTWABYEW-STQMWFEESA-N 2 1 288.382 2.394 20 0 CEADMP C(CC1CCC1)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818905 635288086 /nfs/dbraw/zinc/28/80/86/635288086.db2.gz XVIKTCGRZITKHJ-UHFFFAOYSA-N 2 1 266.429 2.411 20 0 CEADMP c1csc(C[C@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000903831603 635296482 /nfs/dbraw/zinc/29/64/82/635296482.db2.gz KUXREOIHMMSVHH-CQSZACIVSA-N 2 1 279.453 2.397 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C2 ZINC000903839036 635298793 /nfs/dbraw/zinc/29/87/93/635298793.db2.gz HLCSCWXHRXKZGE-XDYICZGBSA-N 2 1 298.789 2.324 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C2 ZINC000903839036 635298796 /nfs/dbraw/zinc/29/87/96/635298796.db2.gz HLCSCWXHRXKZGE-XDYICZGBSA-N 2 1 298.789 2.324 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cncc(Cl)c1)C2 ZINC000903842816 635301341 /nfs/dbraw/zinc/30/13/41/635301341.db2.gz VQFHLCBBPNUZRJ-BIMULSAOSA-N 2 1 251.761 2.047 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cncc(Cl)c1)C2 ZINC000903842816 635301347 /nfs/dbraw/zinc/30/13/47/635301347.db2.gz VQFHLCBBPNUZRJ-BIMULSAOSA-N 2 1 251.761 2.047 20 0 CEADMP CC1(C)C[C@H](C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])C(C)(C)O1 ZINC000903857177 635307672 /nfs/dbraw/zinc/30/76/72/635307672.db2.gz CQSCFHYIJSCTRU-XJKCOSOUSA-N 2 1 266.429 2.393 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])C(C)(C)O1 ZINC000903857177 635307675 /nfs/dbraw/zinc/30/76/75/635307675.db2.gz CQSCFHYIJSCTRU-XJKCOSOUSA-N 2 1 266.429 2.393 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)Cc2cccs2)cnn1C ZINC000903873571 635321247 /nfs/dbraw/zinc/32/12/47/635321247.db2.gz SRKYNTOEQUYWND-CYBMUJFWSA-N 2 1 292.452 2.039 20 0 CEADMP C([C@@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCCC1 ZINC000903887006 635327842 /nfs/dbraw/zinc/32/78/42/635327842.db2.gz WOYYOZWXITVPGL-FBVQUNGASA-N 2 1 291.483 2.467 20 0 CEADMP COC(=O)C1([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000903893503 635330362 /nfs/dbraw/zinc/33/03/62/635330362.db2.gz WZDXSUPOYGWWGY-GOOCMWNKSA-N 2 1 294.439 2.325 20 0 CEADMP CCC[C@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903897991 635334327 /nfs/dbraw/zinc/33/43/27/635334327.db2.gz KXJURVDNVIJSFF-GJZGRUSLSA-N 2 1 291.443 2.215 20 0 CEADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C2CC2)O1 ZINC000903909565 635344662 /nfs/dbraw/zinc/34/46/62/635344662.db2.gz FQTMPQXCKASKSO-SITCHJJWSA-N 2 1 264.413 2.016 20 0 CEADMP FC1(F)C[C@]12CC[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903933170 635358275 /nfs/dbraw/zinc/35/82/75/635358275.db2.gz ZPBOTJJVUKRLJV-WVMKXHBISA-N 2 1 256.340 2.248 20 0 CEADMP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)ccc1C ZINC000903957011 635366436 /nfs/dbraw/zinc/36/64/36/635366436.db2.gz OWNPYQWYNGJSKW-CYBMUJFWSA-N 2 1 284.350 2.338 20 0 CEADMP COCC(C)(C)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959847 635369806 /nfs/dbraw/zinc/36/98/06/635369806.db2.gz PTSLZVKRTAXVAZ-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP Cc1cc(F)ccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903954575 635387665 /nfs/dbraw/zinc/38/76/65/635387665.db2.gz FRUHUUTYCBOEPJ-GFCCVEGCSA-N 2 1 272.314 2.469 20 0 CEADMP CC(C)([NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000903954347 635388250 /nfs/dbraw/zinc/38/82/50/635388250.db2.gz RAXCDDCEZUPKNM-ONGXEEELSA-N 2 1 250.308 2.388 20 0 CEADMP CC(C)([NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000903954347 635388253 /nfs/dbraw/zinc/38/82/53/635388253.db2.gz RAXCDDCEZUPKNM-ONGXEEELSA-N 2 1 250.308 2.388 20 0 CEADMP CC(C)(C)CC[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971794 635390597 /nfs/dbraw/zinc/39/05/97/635390597.db2.gz FCCDDEWGGVMGAT-ZDUSSCGKSA-N 2 1 254.418 2.171 20 0 CEADMP C[C@@H](CCC1CC1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972785 635391755 /nfs/dbraw/zinc/39/17/55/635391755.db2.gz LKZFFTYOLJUING-DZGCQCFKSA-N 2 1 266.429 2.313 20 0 CEADMP CC(C)CCC[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973007 635391987 /nfs/dbraw/zinc/39/19/87/635391987.db2.gz NDWWABYGPJURQQ-AWEZNQCLSA-N 2 1 254.418 2.171 20 0 CEADMP CC1(C)CC[C@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000903974712 635392947 /nfs/dbraw/zinc/39/29/47/635392947.db2.gz WPBQRFWJMSVBBS-UONOGXRCSA-N 2 1 266.429 2.313 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2OCCCO3)C[C@H]1CC[NH3+] ZINC000903977490 635394617 /nfs/dbraw/zinc/39/46/17/635394617.db2.gz QIDLNDMLILUMLU-ZIAGYGMSSA-N 2 1 290.407 2.265 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Cl)cc1F ZINC000903967690 635401201 /nfs/dbraw/zinc/40/12/01/635401201.db2.gz KSARAJRGFGMDLW-KOLCDFICSA-N 2 1 256.752 2.424 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(C(=O)OC)c(C)c2)CC[C@@H]1[NH3+] ZINC000904301998 635554795 /nfs/dbraw/zinc/55/47/95/635554795.db2.gz SIANTYLYIAOORB-HOCLYGCPSA-N 2 1 290.407 2.341 20 0 CEADMP COc1ccc(OCC[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904304139 635554851 /nfs/dbraw/zinc/55/48/51/635554851.db2.gz SFTXLXJNOCBDMQ-QGZVFWFLSA-N 2 1 292.423 2.396 20 0 CEADMP C[N@@H+](CCOc1ccc(Cl)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904304333 635555299 /nfs/dbraw/zinc/55/52/99/635555299.db2.gz ZECHANROVGBORO-BJHJDKERSA-N 2 1 268.788 2.388 20 0 CEADMP C[C@]1(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)CCC[NH2+]C1 ZINC000904312951 635560560 /nfs/dbraw/zinc/56/05/60/635560560.db2.gz VNBOHWFQBIGMRG-STQMWFEESA-N 2 1 294.361 2.419 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)CCC[NH2+]C1 ZINC000904312951 635560565 /nfs/dbraw/zinc/56/05/65/635560565.db2.gz VNBOHWFQBIGMRG-STQMWFEESA-N 2 1 294.361 2.419 20 0 CEADMP C[C@]1(C[N@@H+]2CCCN(c3nccs3)CC2)CCC[NH2+]C1 ZINC000904313714 635561342 /nfs/dbraw/zinc/56/13/42/635561342.db2.gz YLBPUDZUTYGICE-HNNXBMFYSA-N 2 1 294.468 2.045 20 0 CEADMP C[C@]1(C[N@H+]2CCCN(c3nccs3)CC2)CCC[NH2+]C1 ZINC000904313714 635561344 /nfs/dbraw/zinc/56/13/44/635561344.db2.gz YLBPUDZUTYGICE-HNNXBMFYSA-N 2 1 294.468 2.045 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](c2ccccc2)O1 ZINC000904313668 635561985 /nfs/dbraw/zinc/56/19/85/635561985.db2.gz XRNAJVMRCMGXJN-WMHQRMGPSA-N 2 1 260.381 2.186 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](c2ccsc2)O1 ZINC000904326005 635572246 /nfs/dbraw/zinc/57/22/46/635572246.db2.gz BHJRSWBSDYEWKL-MHDGFBEUSA-N 2 1 266.410 2.247 20 0 CEADMP CCOC(=O)CC[C@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904329406 635575006 /nfs/dbraw/zinc/57/50/06/635575006.db2.gz YQCDDISJKLRRGY-NVXWUHKLSA-N 2 1 296.455 2.431 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000904364593 635596361 /nfs/dbraw/zinc/59/63/61/635596361.db2.gz ZDADPWFOCGWVGI-LSDHHAIUSA-N 2 1 290.455 2.404 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](Cc3nccs3)C2)C1 ZINC000904388948 635597791 /nfs/dbraw/zinc/59/77/91/635597791.db2.gz QOOFDQAZCULIQE-RWMBFGLXSA-N 2 1 265.426 2.135 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000904381447 635606018 /nfs/dbraw/zinc/60/60/18/635606018.db2.gz PIXOHJQXSRPRPN-SQWLQELKSA-N 2 1 268.445 2.234 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000904381447 635606020 /nfs/dbraw/zinc/60/60/20/635606020.db2.gz PIXOHJQXSRPRPN-SQWLQELKSA-N 2 1 268.445 2.234 20 0 CEADMP C[N@H+]1CCN(C[C@H]([NH3+])CCC(C)(C)C)CC1(C)C ZINC000904386065 635608467 /nfs/dbraw/zinc/60/84/67/635608467.db2.gz OAXHHSPFXFOOAW-CYBMUJFWSA-N 2 1 255.450 2.166 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc3ccc(Cl)cn23)CC[C@H]1C[NH3+] ZINC000904411889 635619598 /nfs/dbraw/zinc/61/95/98/635619598.db2.gz PPKUGKQKHSXFAY-RYUDHWBXSA-N 2 1 292.814 2.404 20 0 CEADMP c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)co1 ZINC000904416981 635622394 /nfs/dbraw/zinc/62/23/94/635622394.db2.gz VRSYBRYRWROMKR-ZDUSSCGKSA-N 2 1 263.385 2.276 20 0 CEADMP c1nc(C2CC2)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000904420156 635631889 /nfs/dbraw/zinc/63/18/89/635631889.db2.gz DUEHELZNFOXCQP-NWDGAFQWSA-N 2 1 263.410 2.062 20 0 CEADMP c1nc(C2CC2)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000904420156 635631892 /nfs/dbraw/zinc/63/18/92/635631892.db2.gz DUEHELZNFOXCQP-NWDGAFQWSA-N 2 1 263.410 2.062 20 0 CEADMP COc1ccc(C[C@H](C)C[NH2+]CC2([NH3+])CC2)cc1F ZINC000904443325 635639191 /nfs/dbraw/zinc/63/91/91/635639191.db2.gz JJECHZDSIQHBKA-NSHDSACASA-N 2 1 266.360 2.094 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@](C)(O)C(F)F)C1 ZINC000905044324 635785860 /nfs/dbraw/zinc/78/58/60/635785860.db2.gz CEKCMSZNYWMQAO-JSGCOSHPSA-N 2 1 278.387 2.104 20 0 CEADMP Cc1cccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000905060585 635807380 /nfs/dbraw/zinc/80/73/80/635807380.db2.gz VQBVHAWTPYSQNM-YOEHRIQHSA-N 2 1 274.408 2.102 20 0 CEADMP [NH3+][C@@H](CCc1nc(C2([NH3+])CC2)no1)CC1CCCCC1 ZINC000905326673 636223918 /nfs/dbraw/zinc/22/39/18/636223918.db2.gz HPOUMAJLZHBPSX-LBPRGKRZSA-N 2 1 278.400 2.248 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCC=CCCC1)C1CC1 ZINC000905678929 636391182 /nfs/dbraw/zinc/39/11/82/636391182.db2.gz NCMXUJRNXYNIDN-GDBMZVCRSA-N 2 1 266.429 2.168 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCC=CCCC1)C1CC1 ZINC000905678929 636391183 /nfs/dbraw/zinc/39/11/83/636391183.db2.gz NCMXUJRNXYNIDN-GDBMZVCRSA-N 2 1 266.429 2.168 20 0 CEADMP CCC1(CC(N)=[NH+]OCC[C@H]2CCCC[N@@H+]2C)COC1 ZINC000906507910 636758683 /nfs/dbraw/zinc/75/86/83/636758683.db2.gz MFISETYVSURFNF-CYBMUJFWSA-N 2 1 283.416 2.176 20 0 CEADMP CCC1(CC(N)=[NH+]OCC[C@H]2CCCC[N@H+]2C)COC1 ZINC000906507910 636758692 /nfs/dbraw/zinc/75/86/92/636758692.db2.gz MFISETYVSURFNF-CYBMUJFWSA-N 2 1 283.416 2.176 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[NH+](C)C[C@H]2CC)C1 ZINC000907923742 637168380 /nfs/dbraw/zinc/16/83/80/637168380.db2.gz CKBBTRYZURBSJN-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[N@H+](C)C[C@H]2CC)C1 ZINC000907923742 637168383 /nfs/dbraw/zinc/16/83/83/637168383.db2.gz CKBBTRYZURBSJN-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[N@@H+](C)C[C@H]2CC)C1 ZINC000907923742 637168386 /nfs/dbraw/zinc/16/83/86/637168386.db2.gz CKBBTRYZURBSJN-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000908964418 637550199 /nfs/dbraw/zinc/55/01/99/637550199.db2.gz KYIZNJUEMPUHKL-KBPBESRZSA-N 2 1 280.437 2.342 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000908964418 637550201 /nfs/dbraw/zinc/55/02/01/637550201.db2.gz KYIZNJUEMPUHKL-KBPBESRZSA-N 2 1 280.437 2.342 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000832778510 637667493 /nfs/dbraw/zinc/66/74/93/637667493.db2.gz SXJOZMHDZDVMJA-HUUCEWRRSA-N 2 1 283.460 2.132 20 0 CEADMP Cn1ncc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1Cl ZINC000835064742 638046533 /nfs/dbraw/zinc/04/65/33/638046533.db2.gz YKCSHRBRMLKULW-UHFFFAOYSA-N 2 1 270.808 2.038 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000912285959 638630957 /nfs/dbraw/zinc/63/09/57/638630957.db2.gz ZAVQKIHHDZRSMA-AWEZNQCLSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](CC(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C)C1CC1 ZINC000912809150 639025273 /nfs/dbraw/zinc/02/52/73/639025273.db2.gz DIBNLZGOXMDYHB-HOCLYGCPSA-N 2 1 295.471 2.050 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000151133882 639204724 /nfs/dbraw/zinc/20/47/24/639204724.db2.gz AOOIBDNYUGRKSW-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000151133882 639204729 /nfs/dbraw/zinc/20/47/29/639204729.db2.gz AOOIBDNYUGRKSW-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000151133882 639204733 /nfs/dbraw/zinc/20/47/33/639204733.db2.gz AOOIBDNYUGRKSW-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCC[NH+]1CCC(NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841032754 639624870 /nfs/dbraw/zinc/62/48/70/639624870.db2.gz WTIZCQRXAUKMEV-UHFFFAOYSA-N 2 1 275.440 2.152 20 0 CEADMP CCCN1CCC([NH2+]Cc2ccc(CC[NH3+])cc2)CC1 ZINC000841032754 639624873 /nfs/dbraw/zinc/62/48/73/639624873.db2.gz WTIZCQRXAUKMEV-UHFFFAOYSA-N 2 1 275.440 2.152 20 0 CEADMP Cc1cc(C[NH2+]C2(C)CC[NH2+]CC2)cnc1Cl ZINC000841063907 639639436 /nfs/dbraw/zinc/63/94/36/639639436.db2.gz BVGLLZLRJCNFNS-UHFFFAOYSA-N 2 1 253.777 2.275 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000229056581 639673736 /nfs/dbraw/zinc/67/37/36/639673736.db2.gz LUWYOJPCMONBQX-DOMZBBRYSA-N 2 1 262.397 2.420 20 0 CEADMP C[NH+]1CCN(N=C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000063353195 639851860 /nfs/dbraw/zinc/85/18/60/639851860.db2.gz NCSDBANIPNYNOH-UHFFFAOYSA-N 2 1 278.444 2.018 20 0 CEADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000312226133 640008018 /nfs/dbraw/zinc/00/80/18/640008018.db2.gz GCWZFEUZPAFDMO-IXDOHACOSA-N 2 1 274.408 2.327 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000842471537 640071623 /nfs/dbraw/zinc/07/16/23/640071623.db2.gz HTRZXSUMNTXAQL-MRXNPFEDSA-N 2 1 295.471 2.134 20 0 CEADMP CCN1C[C@@H](C)[N@@H+](CCCCCCC[NH3+])C[C@@H]1C ZINC000842476222 640074614 /nfs/dbraw/zinc/07/46/14/640074614.db2.gz JMJXCDOKALQXQK-LSDHHAIUSA-N 2 1 255.450 2.310 20 0 CEADMP CC[N@@H+]1C[C@@H](C)N(CCCCCCC[NH3+])C[C@@H]1C ZINC000842476222 640074619 /nfs/dbraw/zinc/07/46/19/640074619.db2.gz JMJXCDOKALQXQK-LSDHHAIUSA-N 2 1 255.450 2.310 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(CCCCCCC[NH3+])C[C@@H]1C ZINC000842476222 640074623 /nfs/dbraw/zinc/07/46/23/640074623.db2.gz JMJXCDOKALQXQK-LSDHHAIUSA-N 2 1 255.450 2.310 20 0 CEADMP N[C@@H]1C[N@H+](CCCCCCC[NH3+])C[C@H]1c1ccccc1F ZINC000842477396 640077054 /nfs/dbraw/zinc/07/70/54/640077054.db2.gz UDEQWIMULWEKBZ-DOTOQJQBSA-N 2 1 293.430 2.461 20 0 CEADMP N[C@@H]1C[N@@H+](CCCCCCC[NH3+])C[C@H]1c1ccccc1F ZINC000842477396 640077058 /nfs/dbraw/zinc/07/70/58/640077058.db2.gz UDEQWIMULWEKBZ-DOTOQJQBSA-N 2 1 293.430 2.461 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000842515282 640086911 /nfs/dbraw/zinc/08/69/11/640086911.db2.gz PBBMQJVVQNWDRN-UHFFFAOYSA-N 2 1 286.379 2.378 20 0 CEADMP C[N@@H+](Cc1cccc2c1OCO2)C1CCC([NH3+])CC1 ZINC000843056263 640258817 /nfs/dbraw/zinc/25/88/17/640258817.db2.gz GJLUZAVPPYGDKG-UHFFFAOYSA-N 2 1 262.353 2.117 20 0 CEADMP CC[N@@H+](C[C@H](O)c1ccc(C)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000843061940 640263979 /nfs/dbraw/zinc/26/39/79/640263979.db2.gz JKRJKXMLONGNCY-WBVHZDCISA-N 2 1 276.424 2.350 20 0 CEADMP COc1cccc2cc(C[N@H+](C)C3CC([NH3+])C3)oc21 ZINC000843125250 640292324 /nfs/dbraw/zinc/29/23/24/640292324.db2.gz PFDZLDQAESAQCR-UHFFFAOYSA-N 2 1 260.337 2.363 20 0 CEADMP COc1cccc2cc(C[N@@H+](C)C3CC([NH3+])C3)oc21 ZINC000843125250 640292326 /nfs/dbraw/zinc/29/23/26/640292326.db2.gz PFDZLDQAESAQCR-UHFFFAOYSA-N 2 1 260.337 2.363 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)C[C@H](C)[NH3+])cc1 ZINC000877102700 650573541 /nfs/dbraw/zinc/57/35/41/650573541.db2.gz LVGBPGGUSVFTTI-AWEZNQCLSA-N 2 1 291.439 2.338 20 0 CEADMP C(c1noc2c1CCCC2)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363693 640405207 /nfs/dbraw/zinc/40/52/07/640405207.db2.gz KBAWBWHLACQMNO-UHFFFAOYSA-N 2 1 275.396 2.129 20 0 CEADMP Clc1ncc(C[NH+]2CCC3(CC[NH2+]C3)CC2)s1 ZINC000843387259 640413889 /nfs/dbraw/zinc/41/38/89/640413889.db2.gz PNDRJHKPAYXYOD-UHFFFAOYSA-N 2 1 271.817 2.372 20 0 CEADMP CN(CC[N@@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000844220269 640634800 /nfs/dbraw/zinc/63/48/00/640634800.db2.gz BYKQQFJMCFMFAO-UHFFFAOYSA-N 2 1 261.413 2.325 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CCC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000844280835 640655299 /nfs/dbraw/zinc/65/52/99/640655299.db2.gz WUPAKTNMVQUGJY-CMPLNLGQSA-N 2 1 295.254 2.005 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CCC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000844280835 640655304 /nfs/dbraw/zinc/65/53/04/640655304.db2.gz WUPAKTNMVQUGJY-CMPLNLGQSA-N 2 1 295.254 2.005 20 0 CEADMP CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994133955 640695252 /nfs/dbraw/zinc/69/52/52/640695252.db2.gz NQBHTRKYBOCWHM-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP CCc1ccc2c(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc(=O)oc2c1 ZINC000917198884 640863640 /nfs/dbraw/zinc/86/36/40/640863640.db2.gz NWVGPMWGWXPYCJ-HUUCEWRRSA-N 2 1 298.386 2.007 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCC(C)(F)F)CC2)C1 ZINC000929981859 640885816 /nfs/dbraw/zinc/88/58/16/640885816.db2.gz RLLBQFBSGFAYOG-CQSZACIVSA-N 2 1 289.414 2.134 20 0 CEADMP c1ccc(NCCCCN[C@H]2CC[NH2+]C23CCC3)nc1 ZINC000925478789 641129580 /nfs/dbraw/zinc/12/95/80/641129580.db2.gz PWGGLEXSVUURKX-AWEZNQCLSA-N 3 1 274.412 2.148 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846218914 641227591 /nfs/dbraw/zinc/22/75/91/641227591.db2.gz YSNYBLDQJKSAHN-HNNXBMFYSA-N 2 1 283.460 2.134 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCCCC[NH3+])[C@@H](CC)CN1C(C)=O ZINC000846219342 641227685 /nfs/dbraw/zinc/22/76/85/641227685.db2.gz OTTAAUJRQGZALV-JKSUJKDBSA-N 2 1 283.460 2.227 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCCCC[NH3+])C1 ZINC000846220495 641228237 /nfs/dbraw/zinc/22/82/37/641228237.db2.gz QZZFOJNFQUYDKT-OAHLLOKOSA-N 3 1 255.450 2.169 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000846220495 641228244 /nfs/dbraw/zinc/22/82/44/641228244.db2.gz QZZFOJNFQUYDKT-OAHLLOKOSA-N 3 1 255.450 2.169 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846220495 641228254 /nfs/dbraw/zinc/22/82/54/641228254.db2.gz QZZFOJNFQUYDKT-OAHLLOKOSA-N 3 1 255.450 2.169 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](CC3(Br)CC3)CC[C@@H]21 ZINC000846816343 641437178 /nfs/dbraw/zinc/43/71/78/641437178.db2.gz FUNGFDVRNKFKEC-NEPJUHHUSA-N 2 1 287.245 2.330 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3(Br)CC3)CC[C@@H]21 ZINC000846816343 641437183 /nfs/dbraw/zinc/43/71/83/641437183.db2.gz FUNGFDVRNKFKEC-NEPJUHHUSA-N 2 1 287.245 2.330 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3(Br)CC3)CC[C@@H]21 ZINC000846816343 641437188 /nfs/dbraw/zinc/43/71/88/641437188.db2.gz FUNGFDVRNKFKEC-NEPJUHHUSA-N 2 1 287.245 2.330 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(Br)CC3)CC[C@@H]21 ZINC000846816343 641437193 /nfs/dbraw/zinc/43/71/93/641437193.db2.gz FUNGFDVRNKFKEC-NEPJUHHUSA-N 2 1 287.245 2.330 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000847005809 641518448 /nfs/dbraw/zinc/51/84/48/641518448.db2.gz UYKZKHSVRKTKHQ-SFHVURJKSA-N 2 1 299.418 2.119 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000847005809 641518450 /nfs/dbraw/zinc/51/84/50/641518450.db2.gz UYKZKHSVRKTKHQ-SFHVURJKSA-N 2 1 299.418 2.119 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc[nH]1 ZINC000848536036 642040134 /nfs/dbraw/zinc/04/01/34/642040134.db2.gz JLTACNPTAUNUKA-UKRRQHHQSA-N 2 1 277.412 2.309 20 0 CEADMP Cn1c2ccc(F)cc2nc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000848718859 642111189 /nfs/dbraw/zinc/11/11/89/642111189.db2.gz RGERUQGMXFFNGU-NWDGAFQWSA-N 2 1 276.359 2.072 20 0 CEADMP C[C@@H]1C[C@@H](CCNC(=[NH2+])N(C)C)C[N@H+]1Cc1ccccc1 ZINC000848990091 642211204 /nfs/dbraw/zinc/21/12/04/642211204.db2.gz YKKOOXHFXLCPSY-GDBMZVCRSA-N 2 1 288.439 2.373 20 0 CEADMP CCC[N@@H+](CC)CCNC(=[NH2+])NCc1ccc(C)cc1 ZINC000849004272 642220917 /nfs/dbraw/zinc/22/09/17/642220917.db2.gz DUWLRQBEXCBHTC-UHFFFAOYSA-N 2 1 276.428 2.341 20 0 CEADMP CN1CCC[NH+]=C1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000849007054 642223494 /nfs/dbraw/zinc/22/34/94/642223494.db2.gz WZHGONGYBYZPAZ-MRXNPFEDSA-N 2 1 292.471 2.312 20 0 CEADMP [NH2+]=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CCC1 ZINC000849024424 642238649 /nfs/dbraw/zinc/23/86/49/642238649.db2.gz OHCUZAWAKOSEMC-OAHLLOKOSA-N 2 1 286.423 2.175 20 0 CEADMP CCc1[nH]nc(Cl)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000921557426 642241513 /nfs/dbraw/zinc/24/15/13/642241513.db2.gz OAIMHPCUZRNFLI-UHFFFAOYSA-N 2 1 281.791 2.310 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(C)(C)C1CC1 ZINC000849032873 642245048 /nfs/dbraw/zinc/24/50/48/642245048.db2.gz PKDAEOYNXTZSDT-CQSZACIVSA-N 2 1 280.460 2.411 20 0 CEADMP CC(C)CNC(=[NH2+])NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000849046045 642255012 /nfs/dbraw/zinc/25/50/12/642255012.db2.gz NMKSZIFAULPVBT-CVEARBPZSA-N 2 1 288.439 2.102 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])N1CCC(C)CC1 ZINC000849047240 642256568 /nfs/dbraw/zinc/25/65/68/642256568.db2.gz ROZSYOXXNALELF-UHFFFAOYSA-N 2 1 268.449 2.221 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921617934 642264619 /nfs/dbraw/zinc/26/46/19/642264619.db2.gz GSUGGYGWPUMTCS-GFCCVEGCSA-N 2 1 289.379 2.353 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921617934 642264622 /nfs/dbraw/zinc/26/46/22/642264622.db2.gz GSUGGYGWPUMTCS-GFCCVEGCSA-N 2 1 289.379 2.353 20 0 CEADMP CC[N@H+]1CCC[C@H](CNCc2c(Cl)c(C)nn2C)C1 ZINC000921624065 642284779 /nfs/dbraw/zinc/28/47/79/642284779.db2.gz IZHLQVTYYPAQRU-GFCCVEGCSA-N 2 1 284.835 2.203 20 0 CEADMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000998198909 642373155 /nfs/dbraw/zinc/37/31/55/642373155.db2.gz OLWDELHJLQYDIO-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](C(C)C)CC1 ZINC000998198909 642373159 /nfs/dbraw/zinc/37/31/59/642373159.db2.gz OLWDELHJLQYDIO-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](C(C)C)CC1 ZINC000998198909 642373160 /nfs/dbraw/zinc/37/31/60/642373160.db2.gz OLWDELHJLQYDIO-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000999507076 642493553 /nfs/dbraw/zinc/49/35/53/642493553.db2.gz VXQCPKLKESTCAE-UYSNPLJNSA-N 2 1 295.471 2.238 20 0 CEADMP Cc1nn(C)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1Cl ZINC000921685400 642502214 /nfs/dbraw/zinc/50/22/14/642502214.db2.gz HGENKOOVUSDKPB-JTQLQIEISA-N 2 1 295.818 2.313 20 0 CEADMP Cc1nn(C)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1Cl ZINC000921685401 642502542 /nfs/dbraw/zinc/50/25/42/642502542.db2.gz HGENKOOVUSDKPB-SNVBAGLBSA-N 2 1 295.818 2.313 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC)C1 ZINC000999668950 642504403 /nfs/dbraw/zinc/50/44/03/642504403.db2.gz NTIHTUBAZNZOFS-UYSNPLJNSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925486747 642578199 /nfs/dbraw/zinc/57/81/99/642578199.db2.gz UVJIOQMZQVGERO-MOTUXRJWSA-N 2 1 266.429 2.406 20 0 CEADMP CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000372755 642594859 /nfs/dbraw/zinc/59/48/59/642594859.db2.gz NSQVPFZYQGATEA-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+](C)CC(C)(C)NCc1ncc(C[NH+](C)C)s1 ZINC000850410317 642703652 /nfs/dbraw/zinc/70/36/52/642703652.db2.gz RFLMXBRJVPMIKG-UHFFFAOYSA-N 2 1 298.500 2.415 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NCc1ncc(C[NH+](C)C)s1 ZINC000850410317 642703658 /nfs/dbraw/zinc/70/36/58/642703658.db2.gz RFLMXBRJVPMIKG-UHFFFAOYSA-N 2 1 298.500 2.415 20 0 CEADMP CCC(CC)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001002477161 642791111 /nfs/dbraw/zinc/79/11/11/642791111.db2.gz WVXPKCJFRXSUTO-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1cccc3c1OCC3)C2 ZINC000922026662 642847034 /nfs/dbraw/zinc/84/70/34/642847034.db2.gz WBZHAPOFZAJRDZ-CYBMUJFWSA-N 2 1 283.375 2.170 20 0 CEADMP CS[C@H]1CCC[C@@H]([N@@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000922274198 642994678 /nfs/dbraw/zinc/99/46/78/642994678.db2.gz UMIWNYZSFOCJOR-CVEARBPZSA-N 2 1 299.528 2.230 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000922283434 643000940 /nfs/dbraw/zinc/00/09/40/643000940.db2.gz AFAADEVCYJYRME-GFCCVEGCSA-N 2 1 289.379 2.355 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000922283434 643000946 /nfs/dbraw/zinc/00/09/46/643000946.db2.gz AFAADEVCYJYRME-GFCCVEGCSA-N 2 1 289.379 2.355 20 0 CEADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccs1)C2 ZINC000922385409 643057469 /nfs/dbraw/zinc/05/74/69/643057469.db2.gz BGXISFZKGQTZAF-FPCVCCKLSA-N 2 1 294.464 2.317 20 0 CEADMP CCC(CC)[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000851747906 643143702 /nfs/dbraw/zinc/14/37/02/643143702.db2.gz YWRVSBNIFMFCRF-HNNXBMFYSA-N 2 1 256.434 2.341 20 0 CEADMP CCC(CC)[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000851747906 643143707 /nfs/dbraw/zinc/14/37/07/643143707.db2.gz YWRVSBNIFMFCRF-HNNXBMFYSA-N 2 1 256.434 2.341 20 0 CEADMP CCC(CC)[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000851747906 643143710 /nfs/dbraw/zinc/14/37/10/643143710.db2.gz YWRVSBNIFMFCRF-HNNXBMFYSA-N 2 1 256.434 2.341 20 0 CEADMP C[C@H]([NH2+]C[C@H]1COC(C)(C)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000851925750 643227796 /nfs/dbraw/zinc/22/77/96/643227796.db2.gz AEFAZKSPRVKZAI-LZWOXQAQSA-N 2 1 296.455 2.381 20 0 CEADMP CCc1nc([C@@H](C)N2CCCC3(CC[NH+](C)CC3)C2)n[nH]1 ZINC000852007028 643262252 /nfs/dbraw/zinc/26/22/52/643262252.db2.gz IYAVWMYELGHLFE-CYBMUJFWSA-N 2 1 291.443 2.236 20 0 CEADMP CCc1nnc([C@@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)[nH]1 ZINC000852007028 643262256 /nfs/dbraw/zinc/26/22/56/643262256.db2.gz IYAVWMYELGHLFE-CYBMUJFWSA-N 2 1 291.443 2.236 20 0 CEADMP CCc1nnc([C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)[nH]1 ZINC000852007028 643262260 /nfs/dbraw/zinc/26/22/60/643262260.db2.gz IYAVWMYELGHLFE-CYBMUJFWSA-N 2 1 291.443 2.236 20 0 CEADMP CSC(C)(C)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000877635960 650827096 /nfs/dbraw/zinc/82/70/96/650827096.db2.gz IZQMKKIOLQVHCZ-AWEZNQCLSA-N 2 1 286.485 2.361 20 0 CEADMP Cc1nc(C)c(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)o1 ZINC000852106317 643310113 /nfs/dbraw/zinc/31/01/13/643310113.db2.gz XIFLRGIWTRLCAW-HNNXBMFYSA-N 2 1 263.385 2.209 20 0 CEADMP Cc1ccc([C@@H](O)C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000852108573 643311826 /nfs/dbraw/zinc/31/18/26/643311826.db2.gz HTNUGINYXKNDBL-ROUUACIJSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000852108573 643311829 /nfs/dbraw/zinc/31/18/29/643311829.db2.gz HTNUGINYXKNDBL-ROUUACIJSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000852108573 643311832 /nfs/dbraw/zinc/31/18/32/643311832.db2.gz HTNUGINYXKNDBL-ROUUACIJSA-N 2 1 288.435 2.446 20 0 CEADMP CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001004935538 643364465 /nfs/dbraw/zinc/36/44/65/643364465.db2.gz DBOHIFCOBFDGLQ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)C[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000877669585 650842679 /nfs/dbraw/zinc/84/26/79/650842679.db2.gz PLDQTAKZUDANSI-HUUCEWRRSA-N 3 1 269.477 2.094 20 0 CEADMP C[NH+]1CCC([NH2+]CC[C@H]2OCCc3ccccc32)CC1 ZINC000922964270 643484029 /nfs/dbraw/zinc/48/40/29/643484029.db2.gz RBVQYYMPCGZUHG-QGZVFWFLSA-N 2 1 274.408 2.374 20 0 CEADMP C[NH+](C)C[C@@H]1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1C[NH+](C)C ZINC000877670602 650843206 /nfs/dbraw/zinc/84/32/06/650843206.db2.gz NBHQMLQIGPIBRL-UYTYNIKBSA-N 2 1 293.499 2.094 20 0 CEADMP CCCCCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852709338 643519779 /nfs/dbraw/zinc/51/97/79/643519779.db2.gz SJKDTBYZDGYUCF-HNNXBMFYSA-N 2 1 254.418 2.098 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)Cc2ccccc21 ZINC000852742161 643529592 /nfs/dbraw/zinc/52/95/92/643529592.db2.gz DIAHYEPQYRXPRB-ZFWWWQNUSA-N 2 1 272.392 2.127 20 0 CEADMP CC(C)NC(=O)[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000852761600 643541577 /nfs/dbraw/zinc/54/15/77/643541577.db2.gz XXNPLUWXPJXZNL-OAHLLOKOSA-N 2 1 283.460 2.132 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC1SCCS1 ZINC000853023198 643624028 /nfs/dbraw/zinc/62/40/28/643624028.db2.gz PMEGTKJQGGNRPJ-QWRGUYRKSA-N 2 1 260.472 2.384 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC1SCCS1 ZINC000853023198 643624033 /nfs/dbraw/zinc/62/40/33/643624033.db2.gz PMEGTKJQGGNRPJ-QWRGUYRKSA-N 2 1 260.472 2.384 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H](O)CCc1ccccc1 ZINC000923279069 643636171 /nfs/dbraw/zinc/63/61/71/643636171.db2.gz CKNOVERGCDGLEF-BHYGNILZSA-N 2 1 276.424 2.182 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H](O)CCc1ccccc1 ZINC000923279069 643636173 /nfs/dbraw/zinc/63/61/73/643636173.db2.gz CKNOVERGCDGLEF-BHYGNILZSA-N 2 1 276.424 2.182 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000923289847 643643182 /nfs/dbraw/zinc/64/31/82/643643182.db2.gz UABGALPRUKTKBB-MDASCCDHSA-N 2 1 298.430 2.412 20 0 CEADMP C[N@@H+](CCC[NH3+])C[C@H](O)Cc1ccc2ccccc2c1 ZINC000923290143 643643544 /nfs/dbraw/zinc/64/35/44/643643544.db2.gz CYZXPUSRMYWZBY-QGZVFWFLSA-N 2 1 272.392 2.024 20 0 CEADMP O[C@H](Cc1ccccc1)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000923292664 643645175 /nfs/dbraw/zinc/64/51/75/643645175.db2.gz YTUNEQDWDYLHNE-GOSISDBHSA-N 2 1 288.435 2.054 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1CCC([NH3+])CC1 ZINC000923294922 643645825 /nfs/dbraw/zinc/64/58/25/643645825.db2.gz QLFJHJPQQQRZHT-KOHJWAIASA-N 2 1 284.350 2.200 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1F)C1CCC([NH3+])CC1 ZINC000923294601 643645879 /nfs/dbraw/zinc/64/58/79/643645879.db2.gz KIWFUUGTDALTOW-KOHJWAIASA-N 2 1 284.350 2.200 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000923293626 643646440 /nfs/dbraw/zinc/64/64/40/643646440.db2.gz ZPHAXSKXGJBHBV-INIZCTEOSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCCCCC1 ZINC000923302039 643650118 /nfs/dbraw/zinc/65/01/18/643650118.db2.gz PPIRPEOLEWANDW-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@@H+](CCC[NH2+]C[C@H](O)c1ccccn1)Cc1ccccc1 ZINC000853096713 643651142 /nfs/dbraw/zinc/65/11/42/643651142.db2.gz KJJDDJCRHABZDK-SFHVURJKSA-N 2 1 299.418 2.227 20 0 CEADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923305394 643652027 /nfs/dbraw/zinc/65/20/27/643652027.db2.gz YOSUHPBSTPVDBL-GOEBONIOSA-N 2 1 274.408 2.366 20 0 CEADMP CC[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@@H]1c1ccccc1 ZINC000923314437 643653469 /nfs/dbraw/zinc/65/34/69/643653469.db2.gz HNIQWIZKFHKKPW-HILJTLORSA-N 2 1 288.435 2.353 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccccn1 ZINC000853099270 643653829 /nfs/dbraw/zinc/65/38/29/643653829.db2.gz PMPUTXNJGORECW-NVXWUHKLSA-N 2 1 291.439 2.359 20 0 CEADMP C[C@@]1(CCc2ccccc2)CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923318355 643656550 /nfs/dbraw/zinc/65/65/50/643656550.db2.gz ZORPTBOQDFWOJT-XLAORIBOSA-N 2 1 288.435 2.182 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000923329526 643660685 /nfs/dbraw/zinc/66/06/85/643660685.db2.gz VLXQIXAWHGGBLX-OWCLPIDISA-N 2 1 268.445 2.248 20 0 CEADMP CCC[N@H+](Cc1cnc(CC)o1)C1CC[NH2+]CC1 ZINC000923325562 643663607 /nfs/dbraw/zinc/66/36/07/643663607.db2.gz BNTPEKBMYRFLGA-UHFFFAOYSA-N 2 1 251.374 2.201 20 0 CEADMP CCC[N@@H+](Cc1cnc(CC)o1)C1CC[NH2+]CC1 ZINC000923325562 643663609 /nfs/dbraw/zinc/66/36/09/643663609.db2.gz BNTPEKBMYRFLGA-UHFFFAOYSA-N 2 1 251.374 2.201 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354908 643678496 /nfs/dbraw/zinc/67/84/96/643678496.db2.gz WXACWDKPWKHKNI-WTXIUTQJSA-N 2 1 265.445 2.110 20 0 CEADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000923368772 643681773 /nfs/dbraw/zinc/68/17/73/643681773.db2.gz SQMZHIRJGJGHPE-HOCLYGCPSA-N 2 1 294.439 2.006 20 0 CEADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000923368770 643682124 /nfs/dbraw/zinc/68/21/24/643682124.db2.gz SQMZHIRJGJGHPE-GOEBONIOSA-N 2 1 294.439 2.006 20 0 CEADMP CN(C)c1cccc(C[N@@H+](C)CCC[NH2+]C2CC2)c1 ZINC000923373570 643684144 /nfs/dbraw/zinc/68/41/44/643684144.db2.gz PFXSDQDOWRGLRG-UHFFFAOYSA-N 2 1 261.413 2.327 20 0 CEADMP CC(C)CC[C@H](O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000923374936 643685261 /nfs/dbraw/zinc/68/52/61/643685261.db2.gz WGRIDZNKIDCAQX-GJZGRUSLSA-N 2 1 256.434 2.281 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)C1CCCCC1 ZINC000923374524 643685396 /nfs/dbraw/zinc/68/53/96/643685396.db2.gz UCJFFHXOARGTMF-JKSUJKDBSA-N 2 1 298.377 2.495 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923391264 643690691 /nfs/dbraw/zinc/69/06/91/643690691.db2.gz XECFDWLDUQTIEY-IRXDYDNUSA-N 2 1 282.472 2.495 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2F)[C@H]1CC[NH3+] ZINC000923386279 643691467 /nfs/dbraw/zinc/69/14/67/643691467.db2.gz JBLFZPFONBWUCY-XFBWCDHKSA-N 2 1 298.377 2.448 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426390 643706057 /nfs/dbraw/zinc/70/60/57/643706057.db2.gz CPRHMWJDJQFCOB-CVEARBPZSA-N 2 1 268.445 2.249 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)cc1C ZINC000923486955 643729628 /nfs/dbraw/zinc/72/96/28/643729628.db2.gz VXYSUXWXMGVDLK-GJZGRUSLSA-N 2 1 289.423 2.301 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487102 643730141 /nfs/dbraw/zinc/73/01/41/643730141.db2.gz WXPBFFNFFUFRAO-QLFBSQMISA-N 2 1 254.418 2.252 20 0 CEADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487709 643731285 /nfs/dbraw/zinc/73/12/85/643731285.db2.gz GYRCPGBNLPDZTN-VXGBXAGGSA-N 2 1 286.379 2.067 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(C)s1 ZINC000923496307 643734364 /nfs/dbraw/zinc/73/43/64/643734364.db2.gz HHICJJFEZYFAHI-ZYHUDNBSSA-N 2 1 296.436 2.260 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923489568 643735098 /nfs/dbraw/zinc/73/50/98/643735098.db2.gz YVCFMFPYJRMAJB-GJZGRUSLSA-N 2 1 289.423 2.301 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC[C@H]1C[NH3+] ZINC000923491885 643736126 /nfs/dbraw/zinc/73/61/26/643736126.db2.gz KFOWJMNHRYTPEL-NAWOPXAZSA-N 2 1 258.356 2.194 20 0 CEADMP C[C@H]1C[N@@H+](CCOCc2ccccc2)CC[C@H]1C[NH3+] ZINC000923494871 643738277 /nfs/dbraw/zinc/73/82/77/643738277.db2.gz PUAKSUSXPCQNPI-HOCLYGCPSA-N 2 1 262.397 2.120 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)CC[C@H]1C[NH3+] ZINC000923494038 643738663 /nfs/dbraw/zinc/73/86/63/643738663.db2.gz KEEYLBFPNAAKBL-OCCSQVGLSA-N 2 1 264.417 2.055 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923498559 643740321 /nfs/dbraw/zinc/74/03/21/643740321.db2.gz OXXPBCYDQMCLJG-UONOGXRCSA-N 2 1 270.417 2.027 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CC[C@H]1C[NH3+] ZINC000923498282 643740945 /nfs/dbraw/zinc/74/09/45/643740945.db2.gz HHICUASFTHJWGB-HOCLYGCPSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccco3)on2)CC[C@@H]1C[NH3+] ZINC000923499172 643741405 /nfs/dbraw/zinc/74/14/05/643741405.db2.gz KTPAGFNWJGZQNZ-VXGBXAGGSA-N 2 1 275.352 2.351 20 0 CEADMP C[C@H]1C[N@@H+](CCOc2ccccc2F)CC[C@H]1C[NH3+] ZINC000923503499 643746466 /nfs/dbraw/zinc/74/64/66/643746466.db2.gz JJTGCHNHTJXWSH-STQMWFEESA-N 2 1 266.360 2.121 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000923526787 643751398 /nfs/dbraw/zinc/75/13/98/643751398.db2.gz UYZPCFCJHINQQX-HLRDLLSLSA-N 2 1 260.381 2.140 20 0 CEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1nc(-c2cccs2)no1 ZINC000923553855 643759904 /nfs/dbraw/zinc/75/99/04/643759904.db2.gz KIOKDSXBCPMNPU-NSHDSACASA-N 2 1 292.408 2.230 20 0 CEADMP Cc1cc(CO)cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000853411603 643766155 /nfs/dbraw/zinc/76/61/55/643766155.db2.gz OMRYZJILCVBVEA-UONOGXRCSA-N 2 1 263.385 2.167 20 0 CEADMP O[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000854229615 644017471 /nfs/dbraw/zinc/01/74/71/644017471.db2.gz SJTGOXHGFFUAQJ-FEUDOVBXSA-N 2 1 258.365 2.037 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000838984336 644109505 /nfs/dbraw/zinc/10/95/05/644109505.db2.gz IBLKDUCNKLTTLI-DOMZBBRYSA-N 2 1 278.396 2.308 20 0 CEADMP CC(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)=C1CCCC1 ZINC000855346239 644312308 /nfs/dbraw/zinc/31/23/08/644312308.db2.gz SRVNAMSRWWJVAP-AWEZNQCLSA-N 2 1 295.471 2.265 20 0 CEADMP CC(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)=C1CCCC1 ZINC000855346239 644312312 /nfs/dbraw/zinc/31/23/12/644312312.db2.gz SRVNAMSRWWJVAP-AWEZNQCLSA-N 2 1 295.471 2.265 20 0 CEADMP c1ccc(NCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000754793238 644431475 /nfs/dbraw/zinc/43/14/75/644431475.db2.gz DSFIBFXHWSHXAY-JKSUJKDBSA-N 2 1 259.397 2.315 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C2CCC3(CC2)OCCO3)CC1(C)C ZINC000858099243 645060250 /nfs/dbraw/zinc/06/02/50/645060250.db2.gz VSOHBKWGLMKHSZ-AWEZNQCLSA-N 2 1 282.428 2.135 20 0 CEADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccn1 ZINC000858196194 645086616 /nfs/dbraw/zinc/08/66/16/645086616.db2.gz JHOSUKWJCIXTSJ-HNNXBMFYSA-N 2 1 277.387 2.432 20 0 CEADMP Fc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccn1 ZINC000858196194 645086622 /nfs/dbraw/zinc/08/66/22/645086622.db2.gz JHOSUKWJCIXTSJ-HNNXBMFYSA-N 2 1 277.387 2.432 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC000878109379 651002119 /nfs/dbraw/zinc/00/21/19/651002119.db2.gz PWHVYEATEJUALV-UHFFFAOYSA-N 2 1 280.456 2.345 20 0 CEADMP CC(C)[C@@H](O)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000878121148 651005968 /nfs/dbraw/zinc/00/59/68/651005968.db2.gz NNHYURXOAYBZBU-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@@H](O)CCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212910 645421765 /nfs/dbraw/zinc/42/17/65/645421765.db2.gz PCHRAOGQNXLSSR-CQSZACIVSA-N 2 1 264.413 2.341 20 0 CEADMP COC(=O)/C(C)=C/C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213966 645422114 /nfs/dbraw/zinc/42/21/14/645422114.db2.gz CNDCPXJNKFZRHN-GXDHUFHOSA-N 2 1 290.407 2.299 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000878166959 651022961 /nfs/dbraw/zinc/02/29/61/651022961.db2.gz KOJMDUDUTKUCLP-GJZGRUSLSA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000878166959 651022965 /nfs/dbraw/zinc/02/29/65/651022965.db2.gz KOJMDUDUTKUCLP-GJZGRUSLSA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000878166959 651022969 /nfs/dbraw/zinc/02/29/69/651022969.db2.gz KOJMDUDUTKUCLP-GJZGRUSLSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCOC(F)(F)F)CC[C@@H]21 ZINC000878196996 651033999 /nfs/dbraw/zinc/03/39/99/651033999.db2.gz KQENWTIBSSMSKF-NEPJUHHUSA-N 2 1 280.334 2.329 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCOC(F)(F)F)CC[C@@H]21 ZINC000878196996 651034001 /nfs/dbraw/zinc/03/40/01/651034001.db2.gz KQENWTIBSSMSKF-NEPJUHHUSA-N 2 1 280.334 2.329 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCOC(F)(F)F)CC[C@@H]21 ZINC000878196996 651034002 /nfs/dbraw/zinc/03/40/02/651034002.db2.gz KQENWTIBSSMSKF-NEPJUHHUSA-N 2 1 280.334 2.329 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2OC)[C@@H](C)C1 ZINC000765428817 645767859 /nfs/dbraw/zinc/76/78/59/645767859.db2.gz WOFUHAOJMKUBKA-MWDXBVQZSA-N 2 1 298.471 2.281 20 0 CEADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000878302357 651059119 /nfs/dbraw/zinc/05/91/19/651059119.db2.gz KUNCIUPXLKIKGH-GFCCVEGCSA-N 2 1 286.379 2.276 20 0 CEADMP Cn1ccnc1[C@@H]1CCN(Cc2nc3c(o2)CCCC3)C1 ZINC000878302357 651059120 /nfs/dbraw/zinc/05/91/20/651059120.db2.gz KUNCIUPXLKIKGH-GFCCVEGCSA-N 2 1 286.379 2.276 20 0 CEADMP Cc1[nH+]ccn1CCCOC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000767642100 646017057 /nfs/dbraw/zinc/01/70/57/646017057.db2.gz ITPOVTKPDROCQS-IHRRRGAJSA-N 2 1 293.411 2.386 20 0 CEADMP CCOC(C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)OCC ZINC000767793614 646041572 /nfs/dbraw/zinc/04/15/72/646041572.db2.gz TYZHQCGWZDHTRQ-OAHLLOKOSA-N 2 1 284.444 2.049 20 0 CEADMP CCOC(C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)OCC ZINC000767793614 646041576 /nfs/dbraw/zinc/04/15/76/646041576.db2.gz TYZHQCGWZDHTRQ-OAHLLOKOSA-N 2 1 284.444 2.049 20 0 CEADMP CCOC(C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)OCC ZINC000767793614 646041580 /nfs/dbraw/zinc/04/15/80/646041580.db2.gz TYZHQCGWZDHTRQ-OAHLLOKOSA-N 2 1 284.444 2.049 20 0 CEADMP CCOC(C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)OCC ZINC000767793614 646041583 /nfs/dbraw/zinc/04/15/83/646041583.db2.gz TYZHQCGWZDHTRQ-OAHLLOKOSA-N 2 1 284.444 2.049 20 0 CEADMP Cc1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccnc1F ZINC000862273557 646388418 /nfs/dbraw/zinc/38/84/18/646388418.db2.gz KOBVIZLEICHGKK-KGLIPLIRSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccnc1F ZINC000862273557 646388428 /nfs/dbraw/zinc/38/84/28/646388428.db2.gz KOBVIZLEICHGKK-KGLIPLIRSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)ccnc1F ZINC000862391341 646434766 /nfs/dbraw/zinc/43/47/66/646434766.db2.gz GLZVWBPXCCABDC-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP CC(=O)N(C)c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000863543418 646752250 /nfs/dbraw/zinc/75/22/50/646752250.db2.gz OHSJAPSHXPZCJR-IRXDYDNUSA-N 2 1 289.423 2.419 20 0 CEADMP CC1(C)c2ccccc2CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000773759348 646774067 /nfs/dbraw/zinc/77/40/67/646774067.db2.gz DHWROZZESPKKDG-INIZCTEOSA-N 2 1 288.435 2.237 20 0 CEADMP CC1(C)c2ccccc2CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000773759348 646774071 /nfs/dbraw/zinc/77/40/71/646774071.db2.gz DHWROZZESPKKDG-INIZCTEOSA-N 2 1 288.435 2.237 20 0 CEADMP C([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)[C@H]1CC[N@H+](C2CC2)C1 ZINC000775369818 646946228 /nfs/dbraw/zinc/94/62/28/646946228.db2.gz RKYYWXPEWXXCQI-NMFUWQPSSA-N 2 1 298.521 2.440 20 0 CEADMP CCC(CC)NC(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000864455872 647010741 /nfs/dbraw/zinc/01/07/41/647010741.db2.gz ZRDSTTBQGFBFAA-LBPRGKRZSA-N 2 1 254.422 2.019 20 0 CEADMP CC[C@H]1CCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000864459903 647014522 /nfs/dbraw/zinc/01/45/22/647014522.db2.gz PUTPVVMSTYBQME-GJZGRUSLSA-N 2 1 280.460 2.221 20 0 CEADMP CC/C=C(\F)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000864984692 647146785 /nfs/dbraw/zinc/14/67/85/647146785.db2.gz ZPAPJIFGSPSBSR-QCDXTXTGSA-N 2 1 292.358 2.035 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1N1CC[NH+](C2CC2)CC1 ZINC000865475405 647313758 /nfs/dbraw/zinc/31/37/58/647313758.db2.gz WGIHNWXYQRPXND-UHFFFAOYSA-N 2 1 271.286 2.385 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)CCCC2 ZINC000865483266 647319060 /nfs/dbraw/zinc/31/90/60/647319060.db2.gz HGANNMWLWWAWSY-KBPBESRZSA-N 2 1 290.455 2.261 20 0 CEADMP CC(=O)NCC1CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000865595290 647377413 /nfs/dbraw/zinc/37/74/13/647377413.db2.gz HJRUWPXBOCNGNP-UHFFFAOYSA-N 2 1 295.471 2.145 20 0 CEADMP C[NH+](C)[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)c1cccc(F)c1 ZINC000925493829 647400397 /nfs/dbraw/zinc/40/03/97/647400397.db2.gz MBIAYXNGSYQPCP-OWCLPIDISA-N 2 1 291.414 2.288 20 0 CEADMP CCOCOc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000782948887 647664680 /nfs/dbraw/zinc/66/46/80/647664680.db2.gz CMTQGEDEKVMCNM-UHFFFAOYSA-N 2 1 278.396 2.243 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCc2cn(C)c3ncccc23)CC[N@H+]1C ZINC000866570409 647828744 /nfs/dbraw/zinc/82/87/44/647828744.db2.gz GUKAACWONMQIIM-DZGCQCFKSA-N 2 1 286.423 2.188 20 0 CEADMP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000866659888 647858549 /nfs/dbraw/zinc/85/85/49/647858549.db2.gz WOYULYIQIPLSHZ-ZBFHGGJFSA-N 2 1 289.423 2.017 20 0 CEADMP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000866659888 647858551 /nfs/dbraw/zinc/85/85/51/647858551.db2.gz WOYULYIQIPLSHZ-ZBFHGGJFSA-N 2 1 289.423 2.017 20 0 CEADMP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c2c(c1)COCC2 ZINC000866664782 647860889 /nfs/dbraw/zinc/86/08/89/647860889.db2.gz MOWGUWBJYHJPHD-SFHVURJKSA-N 2 1 286.419 2.335 20 0 CEADMP c1oc(C2CC2)nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000866666277 647861443 /nfs/dbraw/zinc/86/14/43/647861443.db2.gz PAZLLMIFGVDXOR-UONOGXRCSA-N 2 1 275.396 2.374 20 0 CEADMP COCC[N@H+](Cc1cccc(N)c1)CC1CC[NH+](C)CC1 ZINC000866671977 647863702 /nfs/dbraw/zinc/86/37/02/647863702.db2.gz CSHBYRNGXNGTIQ-UHFFFAOYSA-N 2 1 291.439 2.059 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCCCCCO)C1 ZINC000866705267 647876616 /nfs/dbraw/zinc/87/66/16/647876616.db2.gz WOEORROAXZEMSU-OAHLLOKOSA-N 2 1 256.434 2.236 20 0 CEADMP C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705358 647876705 /nfs/dbraw/zinc/87/67/05/647876705.db2.gz YLUCMUMPUGIRGB-CXAGYDPISA-N 2 1 295.471 2.131 20 0 CEADMP CC(C)COCC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705959 647876976 /nfs/dbraw/zinc/87/69/76/647876976.db2.gz DBGGZAACOSLMCA-OAHLLOKOSA-N 2 1 256.434 2.356 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCc2cccnc2)C1 ZINC000866705790 647877343 /nfs/dbraw/zinc/87/73/43/647877343.db2.gz BGKLEYSBIIAKQW-INIZCTEOSA-N 2 1 261.413 2.321 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1)C1CCC1 ZINC000866708665 647877766 /nfs/dbraw/zinc/87/77/66/647877766.db2.gz SQTDHQKTXDQEND-GOEBONIOSA-N 2 1 268.445 2.498 20 0 CEADMP OCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000866727204 647884864 /nfs/dbraw/zinc/88/48/64/647884864.db2.gz IRHVXDPVNZDRTA-HNSVSWJLSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cnc4ccccc4c3)C[C@@H]2C1 ZINC000787307337 648096897 /nfs/dbraw/zinc/09/68/97/648096897.db2.gz UQZGICKMRBUSGL-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cnc4ccccc4c3)C[C@@H]2C1 ZINC000787307337 648096902 /nfs/dbraw/zinc/09/69/02/648096902.db2.gz UQZGICKMRBUSGL-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cnc4ccccc4c3)C[C@@H]2C1 ZINC000787307337 648096906 /nfs/dbraw/zinc/09/69/06/648096906.db2.gz UQZGICKMRBUSGL-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cnc4ccccc4c3)C[C@@H]2C1 ZINC000787307337 648096910 /nfs/dbraw/zinc/09/69/10/648096910.db2.gz UQZGICKMRBUSGL-IYBDPMFKSA-N 2 1 267.376 2.228 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@H]1CC[C@H]([NH3+])CC1)C1CCCCC1 ZINC000870919302 648953150 /nfs/dbraw/zinc/95/31/50/648953150.db2.gz UDCWWAPLTSZEBD-SHTZXODSSA-N 2 1 295.471 2.275 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCC2OCCO2)CC1 ZINC000123856760 649208317 /nfs/dbraw/zinc/20/83/17/649208317.db2.gz VQZWVAQUMMZBBJ-UHFFFAOYSA-N 2 1 284.444 2.193 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C(C)(C)CC ZINC000872035226 649248255 /nfs/dbraw/zinc/24/82/55/649248255.db2.gz ULVVPEUFNFLZKF-HUUCEWRRSA-N 2 1 297.487 2.378 20 0 CEADMP COCC(C)(C)CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000872104808 649278662 /nfs/dbraw/zinc/27/86/62/649278662.db2.gz QGFZFWZSISZATP-MRXNPFEDSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000872125714 649284831 /nfs/dbraw/zinc/28/48/31/649284831.db2.gz BRJDYYYCEGYKDY-OWLYRPNTSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000872125714 649284834 /nfs/dbraw/zinc/28/48/34/649284834.db2.gz BRJDYYYCEGYKDY-OWLYRPNTSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)CO2)[C@@H]1C[NH3+] ZINC000872141756 649291199 /nfs/dbraw/zinc/29/11/99/649291199.db2.gz SDHLGNCZUSETPY-HZSPNIEDSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)CO2)[C@@H]1C[NH3+] ZINC000872141756 649291201 /nfs/dbraw/zinc/29/12/01/649291201.db2.gz SDHLGNCZUSETPY-HZSPNIEDSA-N 2 1 252.402 2.005 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000872142027 649291223 /nfs/dbraw/zinc/29/12/23/649291223.db2.gz HEOSWKONRRZTTM-WQVCFCJDSA-N 2 1 264.413 2.160 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000872143161 649292080 /nfs/dbraw/zinc/29/20/80/649292080.db2.gz MVXPSEZECUIWCO-KFWWJZLASA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCCCCC[NH3+])[C@@H]1C ZINC000872155635 649299653 /nfs/dbraw/zinc/29/96/53/649299653.db2.gz XGLCYHDDGWWGTC-OAGGEKHMSA-N 2 1 297.487 2.378 20 0 CEADMP CN(C)C(=O)CC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158651 649300638 /nfs/dbraw/zinc/30/06/38/649300638.db2.gz WRIXPKDVRDYVOI-HOCLYGCPSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872279902 649341590 /nfs/dbraw/zinc/34/15/90/649341590.db2.gz MJLQJVFBTVWGLT-FPCVCCKLSA-N 2 1 295.471 2.131 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(OC(C)=O)cc2)C1 ZINC000124109054 649397896 /nfs/dbraw/zinc/39/78/96/649397896.db2.gz PFLQMWAVQSUMMJ-MRXNPFEDSA-N 2 1 290.407 2.386 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000124109054 649397902 /nfs/dbraw/zinc/39/79/02/649397902.db2.gz PFLQMWAVQSUMMJ-MRXNPFEDSA-N 2 1 290.407 2.386 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000124109054 649397907 /nfs/dbraw/zinc/39/79/07/649397907.db2.gz PFLQMWAVQSUMMJ-MRXNPFEDSA-N 2 1 290.407 2.386 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000124109054 649397913 /nfs/dbraw/zinc/39/79/13/649397913.db2.gz PFLQMWAVQSUMMJ-MRXNPFEDSA-N 2 1 290.407 2.386 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000124109054 649397915 /nfs/dbraw/zinc/39/79/15/649397915.db2.gz PFLQMWAVQSUMMJ-MRXNPFEDSA-N 2 1 290.407 2.386 20 0 CEADMP C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873205080 649588117 /nfs/dbraw/zinc/58/81/17/649588117.db2.gz KWDAAVXOQHFPEJ-AAEUAGOBSA-N 2 1 280.437 2.129 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000873228324 649599661 /nfs/dbraw/zinc/59/96/61/649599661.db2.gz CRKLQGJTLPXGEH-KGLIPLIRSA-N 2 1 270.417 2.025 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)cn1 ZINC000873237594 649604783 /nfs/dbraw/zinc/60/47/83/649604783.db2.gz ROJLWHJLTHKSAR-DZGCQCFKSA-N 2 1 291.439 2.389 20 0 CEADMP C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1c[nH+]ccc1N ZINC000873236594 649604801 /nfs/dbraw/zinc/60/48/01/649604801.db2.gz YHPYCBRMACLVRA-GHMZBOCLSA-N 2 1 251.399 2.288 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1noc2ccc(F)cc12 ZINC000873249458 649608699 /nfs/dbraw/zinc/60/86/99/649608699.db2.gz NJXAWAKBRMOTGL-MFKMUULPSA-N 2 1 277.343 2.445 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(N)cc(F)c2)[C@@H]2CCC[C@@H]21 ZINC000873289656 649628303 /nfs/dbraw/zinc/62/83/03/649628303.db2.gz WMKKPJNASAWVHX-JYJNAYRXSA-N 2 1 277.387 2.370 20 0 CEADMP Nc1cc(F)cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000873289671 649628945 /nfs/dbraw/zinc/62/89/45/649628945.db2.gz KJJKYHGFEDHJNL-KBPBESRZSA-N 2 1 251.349 2.158 20 0 CEADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)[NH+](C)C ZINC000874449653 649776521 /nfs/dbraw/zinc/77/65/21/649776521.db2.gz XVQMGCPASOHDHK-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](CCCOC(F)(F)F)CC1 ZINC000878512060 651116900 /nfs/dbraw/zinc/11/69/00/651116900.db2.gz KDOGUUWZWIOEAZ-LLVKDONJSA-N 2 1 268.323 2.329 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCOC(F)(F)F)CC1 ZINC000878512060 651116901 /nfs/dbraw/zinc/11/69/01/651116901.db2.gz KDOGUUWZWIOEAZ-LLVKDONJSA-N 2 1 268.323 2.329 20 0 CEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCc1ccc(C(N)=O)cc1 ZINC000878995098 651224651 /nfs/dbraw/zinc/22/46/51/651224651.db2.gz JXINLPITKFOLES-UHFFFAOYSA-N 2 1 291.439 2.038 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCc1ccc(C(N)=O)cc1 ZINC000878995098 651224652 /nfs/dbraw/zinc/22/46/52/651224652.db2.gz JXINLPITKFOLES-UHFFFAOYSA-N 2 1 291.439 2.038 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCC2CC2)CCO1 ZINC000879000526 651226381 /nfs/dbraw/zinc/22/63/81/651226381.db2.gz GFHGROQETWYXQC-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP COCC[N@@H+](CC[C@@H]1CCCCO1)CC1CC[NH+](C)CC1 ZINC000879127154 651247381 /nfs/dbraw/zinc/24/73/81/651247381.db2.gz SHLQHNPAHWLUNO-KRWDZBQOSA-N 2 1 298.471 2.236 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127620873 651273748 /nfs/dbraw/zinc/27/37/48/651273748.db2.gz LAAHEMQTQUUYLZ-CVEARBPZSA-N 2 1 297.487 2.440 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127620873 651273750 /nfs/dbraw/zinc/27/37/50/651273750.db2.gz LAAHEMQTQUUYLZ-CVEARBPZSA-N 2 1 297.487 2.440 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879562100 651322026 /nfs/dbraw/zinc/32/20/26/651322026.db2.gz AGBIBHPWLVVDNN-ZIAGYGMSSA-N 2 1 265.426 2.267 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879562100 651322028 /nfs/dbraw/zinc/32/20/28/651322028.db2.gz AGBIBHPWLVVDNN-ZIAGYGMSSA-N 2 1 265.426 2.267 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000879573711 651324923 /nfs/dbraw/zinc/32/49/23/651324923.db2.gz QAEJRTSMJZUFIC-IRXDYDNUSA-N 2 1 286.419 2.190 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000879573711 651324924 /nfs/dbraw/zinc/32/49/24/651324924.db2.gz QAEJRTSMJZUFIC-IRXDYDNUSA-N 2 1 286.419 2.190 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000879573711 651324925 /nfs/dbraw/zinc/32/49/25/651324925.db2.gz QAEJRTSMJZUFIC-IRXDYDNUSA-N 2 1 286.419 2.190 20 0 CEADMP C[N@@H+](CCN1CC[C@@H]2[C@@H](CC[NH+]2C)C1)Cc1ccccc1 ZINC000879579381 651326091 /nfs/dbraw/zinc/32/60/91/651326091.db2.gz KVITYJUOOAYMNA-ZWKOTPCHSA-N 2 1 287.451 2.144 20 0 CEADMP C[NH+](CCN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)Cc1ccccc1 ZINC000879579381 651326092 /nfs/dbraw/zinc/32/60/92/651326092.db2.gz KVITYJUOOAYMNA-ZWKOTPCHSA-N 2 1 287.451 2.144 20 0 CEADMP C[NH+](CCN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)Cc1ccccc1 ZINC000879579381 651326093 /nfs/dbraw/zinc/32/60/93/651326093.db2.gz KVITYJUOOAYMNA-ZWKOTPCHSA-N 2 1 287.451 2.144 20 0 CEADMP CC1([NH+]2CCCCC2)CC[NH+](CCCCO)CC1 ZINC000879949551 651363891 /nfs/dbraw/zinc/36/38/91/651363891.db2.gz ZRJQFGZYCMTWSQ-UHFFFAOYSA-N 2 1 254.418 2.099 20 0 CEADMP COCCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258964 651411792 /nfs/dbraw/zinc/41/17/92/651411792.db2.gz FKMAVZOHULCXBU-CQSZACIVSA-N 2 1 263.385 2.019 20 0 CEADMP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000880472148 651446880 /nfs/dbraw/zinc/44/68/80/651446880.db2.gz FINJXAOIQYQVQP-INIZCTEOSA-N 2 1 274.408 2.280 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880500487 651451173 /nfs/dbraw/zinc/45/11/73/651451173.db2.gz AWKQYWPGJVZZSI-CABCVRRESA-N 2 1 263.385 2.044 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880508210 651452464 /nfs/dbraw/zinc/45/24/64/651452464.db2.gz YVXVQCUYMMISDU-KFWWJZLASA-N 2 1 252.402 2.162 20 0 CEADMP Cc1c(C[N@@H+](C)CCCC[NH+]2CCCCC2)cnn1C ZINC000880517429 651454010 /nfs/dbraw/zinc/45/40/10/651454010.db2.gz RDDBWWJXWBQTLT-UHFFFAOYSA-N 2 1 278.444 2.426 20 0 CEADMP CC[N@H+]1CC[C@@H]1CNc1cc[nH+]cc1C(F)(F)F ZINC000882958895 652290301 /nfs/dbraw/zinc/29/03/01/652290301.db2.gz NWSSUNGUWRIFMO-SECBINFHSA-N 2 1 259.275 2.028 20 0 CEADMP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)OC1 ZINC000883249193 652414618 /nfs/dbraw/zinc/41/46/18/652414618.db2.gz XEYOYYKGSBBNGG-HOTGVXAUSA-N 2 1 296.455 2.035 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC3(CCC3)O2)[C@H](C)C1 ZINC000883356302 652440651 /nfs/dbraw/zinc/44/06/51/652440651.db2.gz KPWFSPIZZNLAIV-KFWWJZLASA-N 2 1 266.429 2.408 20 0 CEADMP C([C@H]1CCC2(CCC2)O1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000883416347 652462326 /nfs/dbraw/zinc/46/23/26/652462326.db2.gz SKTWZOADUXRUDM-OAHLLOKOSA-N 2 1 264.413 2.305 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000883430066 652467137 /nfs/dbraw/zinc/46/71/37/652467137.db2.gz MLGLJXSKRLMSJH-YIYPIFLZSA-N 2 1 254.418 2.310 20 0 CEADMP FC(F)(F)OCCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000883430255 652467215 /nfs/dbraw/zinc/46/72/15/652467215.db2.gz QLBXSIDBZOMHJW-RYUDHWBXSA-N 2 1 280.334 2.377 20 0 CEADMP C=C/C=C/CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000883434949 652468961 /nfs/dbraw/zinc/46/89/61/652468961.db2.gz FUKTZSWDVXBMPB-QQRBYAPVSA-N 2 1 264.413 2.480 20 0 CEADMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883437131 652469807 /nfs/dbraw/zinc/46/98/07/652469807.db2.gz KCHNNQUHAPKQLF-IAGOWNOFSA-N 2 1 292.423 2.204 20 0 CEADMP CC1(C)CCC[C@H](C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)O1 ZINC000883437675 652469817 /nfs/dbraw/zinc/46/98/17/652469817.db2.gz XZEKFXCXSBGHFZ-UMVBOHGHSA-N 2 1 252.402 2.147 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)O1 ZINC000883437675 652469818 /nfs/dbraw/zinc/46/98/18/652469818.db2.gz XZEKFXCXSBGHFZ-UMVBOHGHSA-N 2 1 252.402 2.147 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000883438318 652470075 /nfs/dbraw/zinc/47/00/75/652470075.db2.gz QKIDBYXTNLUQOS-CVEARBPZSA-N 2 1 296.455 2.166 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000883438318 652470077 /nfs/dbraw/zinc/47/00/77/652470077.db2.gz QKIDBYXTNLUQOS-CVEARBPZSA-N 2 1 296.455 2.166 20 0 CEADMP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H](OC)C1CCCC1 ZINC000883450835 652474535 /nfs/dbraw/zinc/47/45/35/652474535.db2.gz ZCAWSNGOJIJUIU-HUUCEWRRSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H](OC)C1CCCC1 ZINC000883450835 652474534 /nfs/dbraw/zinc/47/45/34/652474534.db2.gz ZCAWSNGOJIJUIU-HUUCEWRRSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)Cc1ccc(C[N@H+]2CCO[C@@H](CC[NH3+])C2)cc1 ZINC001204754933 805662645 /nfs/dbraw/zinc/66/26/45/805662645.db2.gz CCFOYJFKAKVOSC-KRWDZBQOSA-N 2 1 276.424 2.435 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1CC ZINC001087684670 805771738 /nfs/dbraw/zinc/77/17/38/805771738.db2.gz HSAAMDVULKHXEN-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001087772822 805792060 /nfs/dbraw/zinc/79/20/60/805792060.db2.gz GANGJNPVEOBCMT-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001272050115 806382543 /nfs/dbraw/zinc/38/25/43/806382543.db2.gz XZAMAKSMWWZDTP-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001272050115 806382553 /nfs/dbraw/zinc/38/25/53/806382553.db2.gz XZAMAKSMWWZDTP-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001272050115 806382561 /nfs/dbraw/zinc/38/25/61/806382561.db2.gz XZAMAKSMWWZDTP-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP F[C@H]1C[C@H](CNc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)C1 ZINC001168237848 806430007 /nfs/dbraw/zinc/43/00/07/806430007.db2.gz PDDGZGBXXPAGLY-UMSPYCQHSA-N 2 1 274.343 2.181 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@H]1C)C2 ZINC001168259115 806449688 /nfs/dbraw/zinc/44/96/88/806449688.db2.gz JJNZDDKSBWUDQE-VMGRFDJRSA-N 2 1 274.408 2.092 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C2 ZINC001168259115 806449692 /nfs/dbraw/zinc/44/96/92/806449692.db2.gz JJNZDDKSBWUDQE-VMGRFDJRSA-N 2 1 274.408 2.092 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC(C)(C)C[C@@]2(C)CO)CC1 ZINC001168313713 806645840 /nfs/dbraw/zinc/64/58/40/806645840.db2.gz GGDRHOCMEJAWAN-XUJLQICISA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@]3(CCCO3)C2)CC1 ZINC001168314648 806647039 /nfs/dbraw/zinc/64/70/39/806647039.db2.gz OBHVCVDCXOREOJ-YMAMQOFZSA-N 2 1 252.402 2.114 20 0 CEADMP Cc1noc([C@@H]2CC[N@H+](C3CCC([NH+](C)C)CC3)C2)n1 ZINC001168327557 806656032 /nfs/dbraw/zinc/65/60/32/806656032.db2.gz ONHRPGBAVQVPNS-IYXRBSQSSA-N 2 1 278.400 2.040 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]C(C)C)CC1 ZINC001168335393 806662641 /nfs/dbraw/zinc/66/26/41/806662641.db2.gz HHNYRCSRBLMNRN-OAHLLOKOSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001168344929 806667104 /nfs/dbraw/zinc/66/71/04/806667104.db2.gz FYKALJCBZWQAIR-UHFFFAOYSA-N 2 1 295.471 2.003 20 0 CEADMP CCOc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC001168356382 806684404 /nfs/dbraw/zinc/68/44/04/806684404.db2.gz QPCPPSFTVOCTPC-UHFFFAOYSA-N 2 1 289.423 2.444 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cscn1 ZINC000697870505 806719004 /nfs/dbraw/zinc/71/90/04/806719004.db2.gz HIUQJFQGFVDPQA-NSHDSACASA-N 2 1 261.394 2.495 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CSCCS1 ZINC000159906150 806842511 /nfs/dbraw/zinc/84/25/11/806842511.db2.gz SXEGZIHFGMLVCH-YNEHKIRRSA-N 2 1 272.483 2.051 20 0 CEADMP C[NH+](C)[C@H]1CC[C@@H]([NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC001168368309 806896795 /nfs/dbraw/zinc/89/67/95/806896795.db2.gz HJLXCPWBTDMSJI-WOVMCDHWSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](O)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000348391330 806964445 /nfs/dbraw/zinc/96/44/45/806964445.db2.gz IEHRJUHGXSLWAY-HUUCEWRRSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)CC[C@]1(C)O ZINC001168373710 806975051 /nfs/dbraw/zinc/97/50/51/806975051.db2.gz SUQWVEZEZFGDEN-YOEHRIQHSA-N 2 1 280.456 2.344 20 0 CEADMP COC(=O)CC[N@H+](C[C@@H]1CCC[NH+](C)C1)C1CCCC1 ZINC001208607872 802388034 /nfs/dbraw/zinc/38/80/34/802388034.db2.gz OBRIFOGBWUCULT-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C1CCCC1 ZINC001208607872 802388053 /nfs/dbraw/zinc/38/80/53/802388053.db2.gz OBRIFOGBWUCULT-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[NH+](C[C@@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC001208607872 802388063 /nfs/dbraw/zinc/38/80/63/802388063.db2.gz OBRIFOGBWUCULT-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC001208607872 802388073 /nfs/dbraw/zinc/38/80/73/802388073.db2.gz OBRIFOGBWUCULT-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC001208606274 802389906 /nfs/dbraw/zinc/38/99/06/802389906.db2.gz DRGJVCAJYMLHSV-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC001208606274 802389913 /nfs/dbraw/zinc/38/99/13/802389913.db2.gz DRGJVCAJYMLHSV-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC001208606274 802389925 /nfs/dbraw/zinc/38/99/25/802389925.db2.gz DRGJVCAJYMLHSV-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP CCN1CCC([N@@H+](C)C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001208640868 802395520 /nfs/dbraw/zinc/39/55/20/802395520.db2.gz UIWPTRQOTOJAGP-INIZCTEOSA-N 2 1 296.455 2.478 20 0 CEADMP CC[NH+]1CCC(N(C)C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001208640868 802395525 /nfs/dbraw/zinc/39/55/25/802395525.db2.gz UIWPTRQOTOJAGP-INIZCTEOSA-N 2 1 296.455 2.478 20 0 CEADMP COC(=O)[C@H](C)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001208717180 802402969 /nfs/dbraw/zinc/40/29/69/802402969.db2.gz FDBGHXIMXKTKBD-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP Cc1cc[nH+]c(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000705346607 802412266 /nfs/dbraw/zinc/41/22/66/802412266.db2.gz SVQYUXMKZMVRNH-SFHVURJKSA-N 2 1 297.402 2.439 20 0 CEADMP Cc1cc[nH+]c(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000705346607 802412270 /nfs/dbraw/zinc/41/22/70/802412270.db2.gz SVQYUXMKZMVRNH-SFHVURJKSA-N 2 1 297.402 2.439 20 0 CEADMP COCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209055352 802464834 /nfs/dbraw/zinc/46/48/34/802464834.db2.gz WXOKJNCZIDIVNQ-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP COCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209055352 802464837 /nfs/dbraw/zinc/46/48/37/802464837.db2.gz WXOKJNCZIDIVNQ-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP COCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209055352 802464840 /nfs/dbraw/zinc/46/48/40/802464840.db2.gz WXOKJNCZIDIVNQ-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc2nonc21 ZINC001203142395 802631255 /nfs/dbraw/zinc/63/12/55/802631255.db2.gz IJBQACNGWMULIH-UHFFFAOYSA-N 2 1 276.384 2.387 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000723699817 802925668 /nfs/dbraw/zinc/92/56/68/802925668.db2.gz VHTKSTUZGOHQMR-GFCCVEGCSA-N 2 1 295.814 2.339 20 0 CEADMP Cc1cc(C)nc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000723845204 802947070 /nfs/dbraw/zinc/94/70/70/802947070.db2.gz GDHWYIJYCKZYFF-MRXNPFEDSA-N 2 1 259.397 2.274 20 0 CEADMP Cc1cc(C)nc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000723845204 802947072 /nfs/dbraw/zinc/94/70/72/802947072.db2.gz GDHWYIJYCKZYFF-MRXNPFEDSA-N 2 1 259.397 2.274 20 0 CEADMP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399114825 802950986 /nfs/dbraw/zinc/95/09/86/802950986.db2.gz MHUQBYYGRLGXLB-UMVBOHGHSA-N 2 1 262.397 2.443 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1F ZINC000723894226 802966116 /nfs/dbraw/zinc/96/61/16/802966116.db2.gz KDQQHSUNLSTJLU-DGCLKSJQSA-N 2 1 266.360 2.251 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cncc(Br)c2)C[C@H]1CC[NH3+] ZINC000723901106 802966386 /nfs/dbraw/zinc/96/63/86/802966386.db2.gz NJQHMTPWDDOJSB-ZYHUDNBSSA-N 2 1 298.228 2.261 20 0 CEADMP OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000399165631 802972748 /nfs/dbraw/zinc/97/27/48/802972748.db2.gz GTUKOJHZXGHORZ-DGCLKSJQSA-N 2 1 294.361 2.154 20 0 CEADMP C1CC1[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCOC1 ZINC000723978160 802982497 /nfs/dbraw/zinc/98/24/97/802982497.db2.gz OJUXQARDJXEQIY-RHSMWYFYSA-N 2 1 278.440 2.408 20 0 CEADMP C1CC1[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCOC1 ZINC000723979106 802985187 /nfs/dbraw/zinc/98/51/87/802985187.db2.gz VGQZMYGTYJOOFK-WCXIOVBPSA-N 2 1 278.440 2.408 20 0 CEADMP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001266973869 803031595 /nfs/dbraw/zinc/03/15/95/803031595.db2.gz APZKZZMGJNWTMO-HZPDHXFCSA-N 2 1 295.471 2.310 20 0 CEADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCCC1CCCC1 ZINC001133820118 813159721 /nfs/dbraw/zinc/15/97/21/813159721.db2.gz YUVFLDUJAJGALH-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP CN(C)CC(C)(C)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001207288867 803136077 /nfs/dbraw/zinc/13/60/77/803136077.db2.gz WSZSOLQWKNTKIJ-UHFFFAOYSA-N 2 1 281.488 2.382 20 0 CEADMP CCCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167636700 803225681 /nfs/dbraw/zinc/22/56/81/803225681.db2.gz YLMPCAWQEOWSDO-HNNXBMFYSA-N 2 1 283.460 2.145 20 0 CEADMP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167640802 803228538 /nfs/dbraw/zinc/22/85/38/803228538.db2.gz RPBTWRWOODRIDY-OAHLLOKOSA-N 2 1 297.487 2.250 20 0 CEADMP CCCCCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246308938 813769825 /nfs/dbraw/zinc/76/98/25/813769825.db2.gz PNTWBSOYCQEAON-SOUVJXGZSA-N 2 1 256.434 2.295 20 0 CEADMP C[C@@H]1OC[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)[C@@H]1C ZINC000405567687 803381039 /nfs/dbraw/zinc/38/10/39/803381039.db2.gz CHNFXLYRZCTYBZ-XGUBFFRZSA-N 2 1 254.418 2.264 20 0 CEADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1N ZINC001140898557 803601149 /nfs/dbraw/zinc/60/11/49/803601149.db2.gz RJESZCMELXYRMO-UHFFFAOYSA-N 2 1 289.423 2.195 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H]3CN(C[C@H]4CC[NH2+]C4)C[C@H]3C2)cc1 ZINC000695388205 803673547 /nfs/dbraw/zinc/67/35/47/803673547.db2.gz HCNSPYHWTVTBAB-GBESFXJTSA-N 2 1 299.462 2.050 20 0 CEADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](C[C@H]4CC[NH2+]C4)C[C@H]3C2)cc1 ZINC000695388205 803673550 /nfs/dbraw/zinc/67/35/50/803673550.db2.gz HCNSPYHWTVTBAB-GBESFXJTSA-N 3 1 299.462 2.050 20 0 CEADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](C[C@H]4CC[NH2+]C4)C[C@H]3C2)cc1 ZINC000695388205 803673554 /nfs/dbraw/zinc/67/35/54/803673554.db2.gz HCNSPYHWTVTBAB-GBESFXJTSA-N 3 1 299.462 2.050 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](C[C@H]4CC[NH2+]C4)C[C@H]3C2)cc1 ZINC000695388205 803673556 /nfs/dbraw/zinc/67/35/56/803673556.db2.gz HCNSPYHWTVTBAB-GBESFXJTSA-N 3 1 299.462 2.050 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](C[C@H]4CC[NH2+]C4)C[C@H]3C2)cc1 ZINC000695388205 803673559 /nfs/dbraw/zinc/67/35/59/803673559.db2.gz HCNSPYHWTVTBAB-GBESFXJTSA-N 3 1 299.462 2.050 20 0 CEADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CCCC(C)(C)C ZINC001267829395 803760983 /nfs/dbraw/zinc/76/09/83/803760983.db2.gz SLODBPLKDLNSAF-HUUCEWRRSA-N 2 1 297.487 2.249 20 0 CEADMP C[NH+](C)C1(C)CCC([NH2+][C@H]2C[C@H](N)C23CCC3)CC1 ZINC000715566766 814980504 /nfs/dbraw/zinc/98/05/04/814980504.db2.gz BFKIQGZUUWGUDL-GQKFXUNGSA-N 2 1 265.445 2.109 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC)C1 ZINC001027163802 803966033 /nfs/dbraw/zinc/96/60/33/803966033.db2.gz KYHAGWPSRVSSJP-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001027545051 804116017 /nfs/dbraw/zinc/11/60/17/804116017.db2.gz RWLCJVZDOYMSHQ-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001027545051 804116021 /nfs/dbraw/zinc/11/60/21/804116021.db2.gz RWLCJVZDOYMSHQ-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001027545051 804116028 /nfs/dbraw/zinc/11/60/28/804116028.db2.gz RWLCJVZDOYMSHQ-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027564124 804126394 /nfs/dbraw/zinc/12/63/94/804126394.db2.gz QREPODLJQLWJQH-JKSUJKDBSA-N 2 1 297.487 2.151 20 0 CEADMP CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001027601612 804147167 /nfs/dbraw/zinc/14/71/67/804147167.db2.gz FQEHWPHMIBXTJC-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027694091 804198335 /nfs/dbraw/zinc/19/83/35/804198335.db2.gz RIBWAEGCFOQZRY-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCC[C@H]2[NH3+])C1 ZINC001118287055 815000383 /nfs/dbraw/zinc/00/03/83/815000383.db2.gz QKQWPBDIIAIRMV-OWCLPIDISA-N 2 1 295.471 2.132 20 0 CEADMP CCn1ccc2c1cccc2C[N@@H+]1CCC[NH2+]CC1 ZINC001204660577 804300375 /nfs/dbraw/zinc/30/03/75/804300375.db2.gz DCBMMNMPNQCWFQ-UHFFFAOYSA-N 2 1 257.381 2.457 20 0 CEADMP CCn1ccc2c1cccc2C[N@H+]1CCC[NH2+]CC1 ZINC001204660577 804300382 /nfs/dbraw/zinc/30/03/82/804300382.db2.gz DCBMMNMPNQCWFQ-UHFFFAOYSA-N 2 1 257.381 2.457 20 0 CEADMP CCc1nnc2n1CC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C2 ZINC001167833310 804411699 /nfs/dbraw/zinc/41/16/99/804411699.db2.gz ABPNDIQTHCPNAI-CQSZACIVSA-N 2 1 293.459 2.167 20 0 CEADMP CCc1nnc2n1CC[N@H+]([C@H](C)CCC[NH+](CC)CC)C2 ZINC001167833310 804411703 /nfs/dbraw/zinc/41/17/03/804411703.db2.gz ABPNDIQTHCPNAI-CQSZACIVSA-N 2 1 293.459 2.167 20 0 CEADMP CCN1C[C@@H]2C[NH+]([C@@H](C)CCC[NH+](CC)CC)C[C@H]2C1 ZINC001167835901 804427801 /nfs/dbraw/zinc/42/78/01/804427801.db2.gz VVIYSLQQARYOBI-GVDBMIGSSA-N 2 1 281.488 2.380 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCn2cncc2C1 ZINC001167836617 804429572 /nfs/dbraw/zinc/42/95/72/804429572.db2.gz FWZPAFFDVXGEPG-CQSZACIVSA-N 2 1 264.417 2.209 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2nccn2CC1 ZINC001167837150 804430874 /nfs/dbraw/zinc/43/08/74/804430874.db2.gz IMDFVJJTJFGSPC-OAHLLOKOSA-N 2 1 278.444 2.252 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001167837150 804430876 /nfs/dbraw/zinc/43/08/76/804430876.db2.gz IMDFVJJTJFGSPC-OAHLLOKOSA-N 3 1 278.444 2.252 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001167837150 804430878 /nfs/dbraw/zinc/43/08/78/804430878.db2.gz IMDFVJJTJFGSPC-OAHLLOKOSA-N 3 1 278.444 2.252 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)N1CC[NH+](CCCOC)CC1 ZINC001167837502 804432490 /nfs/dbraw/zinc/43/24/90/804432490.db2.gz LOHOBIPFTOANMI-QGZVFWFLSA-N 2 1 299.503 2.151 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001167840724 804441581 /nfs/dbraw/zinc/44/15/81/804441581.db2.gz IAGGGMXVFOBQFQ-RDJZCZTQSA-N 2 1 297.487 2.440 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC001167841965 804447036 /nfs/dbraw/zinc/44/70/36/804447036.db2.gz VFKBWPKOZHIMNQ-HNNXBMFYSA-N 2 1 283.460 2.050 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(C(C)C)C(=O)C1 ZINC001167841965 804447043 /nfs/dbraw/zinc/44/70/43/804447043.db2.gz VFKBWPKOZHIMNQ-HNNXBMFYSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001268222360 804553505 /nfs/dbraw/zinc/55/35/05/804553505.db2.gz YLKWGTNTMDZAFM-HOTGVXAUSA-N 2 1 297.487 2.391 20 0 CEADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001268229566 804558549 /nfs/dbraw/zinc/55/85/49/804558549.db2.gz UXQYMHCJLMOJEG-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP [NH2+]=C(Nc1ccc2c(c1)NC(=S)C2)SCC[NH3+] ZINC001167916307 804734970 /nfs/dbraw/zinc/73/49/70/804734970.db2.gz QXICQMCVGKOUOG-UHFFFAOYSA-N 2 1 266.395 2.021 20 0 CEADMP CC(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268664138 804916563 /nfs/dbraw/zinc/91/65/63/804916563.db2.gz AMIIMCNOPCFJSL-HZPDHXFCSA-N 2 1 297.487 2.390 20 0 CEADMP CCCC[NH2+]C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001268673359 804920981 /nfs/dbraw/zinc/92/09/81/804920981.db2.gz DAEUBCLSKBGHCV-ZBFHGGJFSA-N 2 1 291.439 2.184 20 0 CEADMP CCCCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001268833514 804983571 /nfs/dbraw/zinc/98/35/71/804983571.db2.gz RLWWSWODRHMZNO-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1cc(C[NH3+])nn1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964470 805449898 /nfs/dbraw/zinc/44/98/98/805449898.db2.gz QRVWBNHJNKKPCM-XYPWUTKMSA-N 2 1 274.412 2.228 20 0 CEADMP OC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167978163 805513059 /nfs/dbraw/zinc/51/30/59/805513059.db2.gz LCWMOLRNZHGXMC-MKXAEBJUSA-N 2 1 278.440 2.142 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001119287554 815083463 /nfs/dbraw/zinc/08/34/63/815083463.db2.gz KEGDCAAYOSBFJL-FICVDOATSA-N 2 1 254.418 2.123 20 0 CEADMP CCOC(=O)C1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168378896 807022836 /nfs/dbraw/zinc/02/28/36/807022836.db2.gz YJYNEDOBEQYNQM-UHFFFAOYSA-N 2 1 294.439 2.136 20 0 CEADMP Cc1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cnc1C ZINC001233160839 807379455 /nfs/dbraw/zinc/37/94/55/807379455.db2.gz IYZOTPRDCQIBRZ-INIZCTEOSA-N 2 1 259.397 2.226 20 0 CEADMP CCC[C@H](C)C[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001272429457 807481086 /nfs/dbraw/zinc/48/10/86/807481086.db2.gz FMWWSKIGSZKTAN-RDJZCZTQSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)[C@H]1CCCC[NH2+]1 ZINC000716596104 815129821 /nfs/dbraw/zinc/12/98/21/815129821.db2.gz XJEYDJXPQFPKCJ-RRFJBIMHSA-N 2 1 266.429 2.456 20 0 CEADMP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235077549 807771055 /nfs/dbraw/zinc/77/10/55/807771055.db2.gz QKBWQKSSCBNQCP-RRFJBIMHSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235077549 807771060 /nfs/dbraw/zinc/77/10/60/807771060.db2.gz QKBWQKSSCBNQCP-RRFJBIMHSA-N 2 1 268.445 2.390 20 0 CEADMP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089657968 808091021 /nfs/dbraw/zinc/09/10/21/808091021.db2.gz GPQUKOBXDGBZRG-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089657968 808091028 /nfs/dbraw/zinc/09/10/28/808091028.db2.gz GPQUKOBXDGBZRG-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089657968 808091035 /nfs/dbraw/zinc/09/10/35/808091035.db2.gz GPQUKOBXDGBZRG-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001089657968 808091043 /nfs/dbraw/zinc/09/10/43/808091043.db2.gz GPQUKOBXDGBZRG-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(N(C(N)=[NH2+])C2CC(C)(C)[NH+](C)C(C)(C)C2)[nH]n1 ZINC001171628689 815200486 /nfs/dbraw/zinc/20/04/86/815200486.db2.gz GJLWSFIKGYQDKT-UHFFFAOYSA-N 2 1 292.431 2.069 20 0 CEADMP C[C@@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[C@H]1O ZINC001171631901 815202081 /nfs/dbraw/zinc/20/20/81/815202081.db2.gz PFHRJMDNFIHTDC-TZMCWYRMSA-N 2 1 268.445 2.341 20 0 CEADMP COC(C)(C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)OC ZINC001171623523 815206331 /nfs/dbraw/zinc/20/63/31/815206331.db2.gz BJYRBJTXFQCNHK-UHFFFAOYSA-N 2 1 272.433 2.236 20 0 CEADMP C[C@H]1C[N@@H+](CCc2ccc(F)cc2F)CC[C@@H]1C[NH3+] ZINC001120268716 815209392 /nfs/dbraw/zinc/20/93/92/815209392.db2.gz IBLSPKMTXSWCHT-WCQYABFASA-N 2 1 268.351 2.424 20 0 CEADMP CC1(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)CCCCC1 ZINC001205209745 808557238 /nfs/dbraw/zinc/55/72/38/808557238.db2.gz KZAMNHHYBZWIHM-HNNXBMFYSA-N 2 1 254.418 2.133 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C(C)C ZINC000721913733 808607955 /nfs/dbraw/zinc/60/79/55/808607955.db2.gz PSHJULRFZKRFGZ-JYJNAYRXSA-N 2 1 268.445 2.369 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C(C)C ZINC000721913740 808608227 /nfs/dbraw/zinc/60/82/27/808608227.db2.gz PSHJULRFZKRFGZ-PMPSAXMXSA-N 2 1 268.445 2.369 20 0 CEADMP CC[NH+]1CCN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171743533 815222071 /nfs/dbraw/zinc/22/20/71/815222071.db2.gz BIYVDKREHGXSMX-FUHWJXTLSA-N 2 1 287.451 2.287 20 0 CEADMP CC(C)Oc1ccccc1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205219750 808617634 /nfs/dbraw/zinc/61/76/34/808617634.db2.gz GZUASGPBHDBRKO-QGZVFWFLSA-N 2 1 292.423 2.150 20 0 CEADMP C[C@@H]1C[C@H](N2CC[NH+]3CCC[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171754463 815225965 /nfs/dbraw/zinc/22/59/65/815225965.db2.gz DVWCWUBULWFRRO-QRQLOZEOSA-N 2 1 299.462 2.429 20 0 CEADMP C[C@@H]1C[C@H](N2CC[N@@H+]3CCC[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171754463 815225968 /nfs/dbraw/zinc/22/59/68/815225968.db2.gz DVWCWUBULWFRRO-QRQLOZEOSA-N 2 1 299.462 2.429 20 0 CEADMP C[C@@H]1C[C@H](N2CC[N@H+]3CCC[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171754463 815225970 /nfs/dbraw/zinc/22/59/70/815225970.db2.gz DVWCWUBULWFRRO-QRQLOZEOSA-N 2 1 299.462 2.429 20 0 CEADMP C[C@H]1C[C@H](N2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC001171760769 815227081 /nfs/dbraw/zinc/22/70/81/815227081.db2.gz ZYWYHHRUEHTLSB-KANFNMMFSA-N 2 1 299.462 2.428 20 0 CEADMP C[C@H]1C[C@H](N2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC001171760769 815227084 /nfs/dbraw/zinc/22/70/84/815227084.db2.gz ZYWYHHRUEHTLSB-KANFNMMFSA-N 2 1 299.462 2.428 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CCCC1CCC1 ZINC001171762773 815227599 /nfs/dbraw/zinc/22/75/99/815227599.db2.gz KODVETJQNVMPEI-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP C[NH+]1CCC(Oc2ccc(Nc3ccc[nH+]c3N)nc2)CC1 ZINC001212397872 808742183 /nfs/dbraw/zinc/74/21/83/808742183.db2.gz DSRGJEQXFGYAAK-UHFFFAOYSA-N 2 1 299.378 2.275 20 0 CEADMP Nc1[nH+]cccc1Nc1c[nH+]ccc1N1CCCC1 ZINC001212397859 808742236 /nfs/dbraw/zinc/74/22/36/808742236.db2.gz DATRCKRJEHVMTJ-UHFFFAOYSA-N 2 1 255.325 2.403 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C12CCC2 ZINC000453229024 809043610 /nfs/dbraw/zinc/04/36/10/809043610.db2.gz ZYTMJDAAJDXRLM-BZUAXINKSA-N 2 1 296.455 2.035 20 0 CEADMP COc1cc2[nH+]ccn2cc1NCCCC[NH+](C)C ZINC001161730887 809100552 /nfs/dbraw/zinc/10/05/52/809100552.db2.gz VFQNIJBVBFYRBA-UHFFFAOYSA-N 2 1 262.357 2.097 20 0 CEADMP COc1ccc(CCC[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206154014 815277632 /nfs/dbraw/zinc/27/76/32/815277632.db2.gz GGIGSOXSOBTUMQ-JKSUJKDBSA-N 2 1 280.387 2.389 20 0 CEADMP COc1ccc(CCC[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206154014 815277636 /nfs/dbraw/zinc/27/76/36/815277636.db2.gz GGIGSOXSOBTUMQ-JKSUJKDBSA-N 2 1 280.387 2.389 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472479 809318948 /nfs/dbraw/zinc/31/89/48/809318948.db2.gz WRBIWTUWCOXQML-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033472479 809318955 /nfs/dbraw/zinc/31/89/55/809318955.db2.gz WRBIWTUWCOXQML-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033472479 809318960 /nfs/dbraw/zinc/31/89/60/809318960.db2.gz WRBIWTUWCOXQML-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CCCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033532539 809329452 /nfs/dbraw/zinc/32/94/52/809329452.db2.gz SGWDKYNCVNAKJO-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C)CCOCC1)C2 ZINC001172099335 815282399 /nfs/dbraw/zinc/28/23/99/815282399.db2.gz JKECFXLKHMVZBL-BTTYYORXSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C)CCOCC1)C2 ZINC001172099335 815282402 /nfs/dbraw/zinc/28/24/02/815282402.db2.gz JKECFXLKHMVZBL-BTTYYORXSA-N 2 1 252.402 2.160 20 0 CEADMP CC[NH+](CC)[C@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172126988 815287609 /nfs/dbraw/zinc/28/76/09/815287609.db2.gz FGZSRNBGTHRVMG-YVSFHVDLSA-N 2 1 279.472 2.418 20 0 CEADMP CC[NH+](CC)CCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100638 815284113 /nfs/dbraw/zinc/28/41/13/815284113.db2.gz RDRRJUWYDODNJG-MUJYYYPQSA-N 3 1 267.461 2.323 20 0 CEADMP OCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063761 815284993 /nfs/dbraw/zinc/28/49/93/815284993.db2.gz CHXDFGCOFZXSFR-BJWYYQGGSA-N 2 1 274.408 2.154 20 0 CEADMP Cc1nc2c(n1[C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C[NH2+]CC2 ZINC001172127617 815286634 /nfs/dbraw/zinc/28/66/34/815286634.db2.gz KAKGQDNSOWEDBG-WDNDVIMCSA-N 2 1 274.412 2.025 20 0 CEADMP C[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1(C)C ZINC001172127312 815287807 /nfs/dbraw/zinc/28/78/07/815287807.db2.gz HSCIEDHWJIMLFN-FICVDOATSA-N 2 1 265.445 2.028 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[N@H+](C)C(C)(C)C1)C2 ZINC001172127312 815287812 /nfs/dbraw/zinc/28/78/12/815287812.db2.gz HSCIEDHWJIMLFN-FICVDOATSA-N 2 1 265.445 2.028 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[N@@H+](C)C(C)(C)C1)C2 ZINC001172127312 815287814 /nfs/dbraw/zinc/28/78/14/815287814.db2.gz HSCIEDHWJIMLFN-FICVDOATSA-N 2 1 265.445 2.028 20 0 CEADMP CCN(CCC[NH+](C)C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131711 815290541 /nfs/dbraw/zinc/29/05/41/815290541.db2.gz YBENPPSBCIIXNS-MUJYYYPQSA-N 2 1 267.461 2.275 20 0 CEADMP COc1ncccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103499 815294814 /nfs/dbraw/zinc/29/48/14/815294814.db2.gz VNKHGGWWVBZDSF-QDMKHBRRSA-N 2 1 275.396 2.195 20 0 CEADMP COc1ncccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103499 815294821 /nfs/dbraw/zinc/29/48/21/815294821.db2.gz VNKHGGWWVBZDSF-QDMKHBRRSA-N 2 1 275.396 2.195 20 0 CEADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105074 815295352 /nfs/dbraw/zinc/29/53/52/815295352.db2.gz GGZQRGBWEDWVDZ-LUYZLQTOSA-N 2 1 274.412 2.013 20 0 CEADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105074 815295356 /nfs/dbraw/zinc/29/53/56/815295356.db2.gz GGZQRGBWEDWVDZ-LUYZLQTOSA-N 2 1 274.412 2.013 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N(C(N)=[NH2+])c1ccccc1)C2 ZINC001172106005 815296054 /nfs/dbraw/zinc/29/60/54/815296054.db2.gz MDFLXXBWOUTPTD-QDMKHBRRSA-N 2 1 272.396 2.402 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@]1(C)CCC[N@H+](C)C1)C2 ZINC001172108679 815298272 /nfs/dbraw/zinc/29/82/72/815298272.db2.gz CXDOVTPNJANJQJ-QKPAOTATSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCC[C@@](C)(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172108679 815298277 /nfs/dbraw/zinc/29/82/77/815298277.db2.gz CXDOVTPNJANJQJ-QKPAOTATSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCC[C@@](C)(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172108679 815298283 /nfs/dbraw/zinc/29/82/83/815298283.db2.gz CXDOVTPNJANJQJ-QKPAOTATSA-N 2 1 265.445 2.076 20 0 CEADMP COC[C@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172109336 815298596 /nfs/dbraw/zinc/29/85/96/815298596.db2.gz CQMHNXNMUCXCQJ-BARDWOONSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@H]1CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172109336 815298603 /nfs/dbraw/zinc/29/86/03/815298603.db2.gz CQMHNXNMUCXCQJ-BARDWOONSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172109336 815298604 /nfs/dbraw/zinc/29/86/04/815298604.db2.gz CQMHNXNMUCXCQJ-BARDWOONSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172109336 815298607 /nfs/dbraw/zinc/29/86/07/815298607.db2.gz CQMHNXNMUCXCQJ-BARDWOONSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@H]1CCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172109336 815298608 /nfs/dbraw/zinc/29/86/08/815298608.db2.gz CQMHNXNMUCXCQJ-BARDWOONSA-N 2 1 252.402 2.113 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC)C1 ZINC001034238253 809560977 /nfs/dbraw/zinc/56/09/77/809560977.db2.gz BNJGQDZSFXMOPP-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC)C1 ZINC001034238253 809560982 /nfs/dbraw/zinc/56/09/82/809560982.db2.gz BNJGQDZSFXMOPP-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC)C1 ZINC001034238253 809560987 /nfs/dbraw/zinc/56/09/87/809560987.db2.gz BNJGQDZSFXMOPP-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP COc1ccnc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172107973 815299102 /nfs/dbraw/zinc/29/91/02/815299102.db2.gz MXRPBJQZMIHPMC-XMQYKBBCSA-N 2 1 275.396 2.195 20 0 CEADMP COc1ccnc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172107973 815299107 /nfs/dbraw/zinc/29/91/07/815299107.db2.gz MXRPBJQZMIHPMC-XMQYKBBCSA-N 2 1 275.396 2.195 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000702640029 809572608 /nfs/dbraw/zinc/57/26/08/809572608.db2.gz IFVWZMYSDRVWQR-JJXSEGSLSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000702640029 809572613 /nfs/dbraw/zinc/57/26/13/809572613.db2.gz IFVWZMYSDRVWQR-JJXSEGSLSA-N 2 1 266.429 2.002 20 0 CEADMP CCC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340798 809581647 /nfs/dbraw/zinc/58/16/47/809581647.db2.gz VJQJCOUCYKBLCP-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](C)CCC(C)(C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112122 815300936 /nfs/dbraw/zinc/30/09/36/815300936.db2.gz TXXBLJBAJXGFQV-QDMKHBRRSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110793 815301852 /nfs/dbraw/zinc/30/18/52/815301852.db2.gz PEUZHFYJIYYXLD-ZSAUSMIDSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172110793 815301858 /nfs/dbraw/zinc/30/18/58/815301858.db2.gz PEUZHFYJIYYXLD-ZSAUSMIDSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@]1(C)O ZINC001172117475 815305369 /nfs/dbraw/zinc/30/53/69/815305369.db2.gz HFLUGSSUHMUWMP-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@]1(C)O ZINC001172117475 815305376 /nfs/dbraw/zinc/30/53/76/815305376.db2.gz HFLUGSSUHMUWMP-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@]1(C)O ZINC001172117475 815305382 /nfs/dbraw/zinc/30/53/82/815305382.db2.gz HFLUGSSUHMUWMP-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@]1(C)O ZINC001172117475 815305389 /nfs/dbraw/zinc/30/53/89/815305389.db2.gz HFLUGSSUHMUWMP-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001034658171 809654979 /nfs/dbraw/zinc/65/49/79/809654979.db2.gz APSNGZHNFVUNPS-BZUAXINKSA-N 2 1 295.471 2.288 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@]3(CCCO3)C1)C2 ZINC001172121008 815307854 /nfs/dbraw/zinc/30/78/54/815307854.db2.gz NXBQDWMJKYYCDA-FZKCQIBNSA-N 2 1 264.413 2.257 20 0 CEADMP Cc1cccc(CC[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206157445 815313333 /nfs/dbraw/zinc/31/33/33/815313333.db2.gz YQLJWWKSPFWJFA-GJZGRUSLSA-N 2 1 250.361 2.299 20 0 CEADMP Cc1cccc(CC[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206157445 815313339 /nfs/dbraw/zinc/31/33/39/815313339.db2.gz YQLJWWKSPFWJFA-GJZGRUSLSA-N 2 1 250.361 2.299 20 0 CEADMP CC(C)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172162681 815325557 /nfs/dbraw/zinc/32/55/57/815325557.db2.gz YQGPFZCOCPFUCJ-YHUYYLMFSA-N 2 1 293.455 2.120 20 0 CEADMP CCC[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000708923818 809939146 /nfs/dbraw/zinc/93/91/46/809939146.db2.gz OCDSIDBQFWCLPI-UYTSQGDYSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2CC[C@](C)(C[NH3+])C2)C(C)(C)O1 ZINC000709702965 809954437 /nfs/dbraw/zinc/95/44/37/809954437.db2.gz QINRFFUTLWJGNA-SWLSCSKDSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H](C1CCC1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000710263017 809985182 /nfs/dbraw/zinc/98/51/82/809985182.db2.gz LZWJDMOERDKUPU-VIFPVBQESA-N 2 1 251.399 2.149 20 0 CEADMP c1csc([C@@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000710445226 809988241 /nfs/dbraw/zinc/98/82/41/809988241.db2.gz UJYMXOAPADNMIO-CYBMUJFWSA-N 2 1 265.426 2.322 20 0 CEADMP CN(Cc1ccccc1)C(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000710724515 809990319 /nfs/dbraw/zinc/99/03/19/809990319.db2.gz NDIADVCCOIGJEN-UHFFFAOYSA-N 2 1 291.439 2.096 20 0 CEADMP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000710629717 810001743 /nfs/dbraw/zinc/00/17/43/810001743.db2.gz AXPYHBBODRJYEO-UHFFFAOYSA-N 2 1 288.844 2.290 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710942191 810006158 /nfs/dbraw/zinc/00/61/58/810006158.db2.gz UMTPHCRCQKRGJU-ZDUSSCGKSA-N 2 1 299.459 2.173 20 0 CEADMP COC1(OC)CC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000710963108 810007836 /nfs/dbraw/zinc/00/78/36/810007836.db2.gz CJWMVCNLPWBKFM-INIZCTEOSA-N 2 1 292.423 2.250 20 0 CEADMP COC1(OC)CC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000710963108 810007843 /nfs/dbraw/zinc/00/78/43/810007843.db2.gz CJWMVCNLPWBKFM-INIZCTEOSA-N 2 1 292.423 2.250 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)[C@@H]1CCCC[NH2+]1 ZINC000711227957 810050208 /nfs/dbraw/zinc/05/02/08/810050208.db2.gz UDFHTIUPCGLTQT-IHRRRGAJSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@H](O)CC1CCCC1)CC[NH2+]CC2 ZINC000923383899 810090040 /nfs/dbraw/zinc/09/00/40/810090040.db2.gz OBYATLVXXJFQQE-GOEBONIOSA-N 2 1 280.456 2.392 20 0 CEADMP CCc1ncc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)o1 ZINC000923384404 810090989 /nfs/dbraw/zinc/09/09/89/810090989.db2.gz WSJQOHAMXOBNSJ-GFCCVEGCSA-N 2 1 263.385 2.201 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000711832636 810099533 /nfs/dbraw/zinc/09/95/33/810099533.db2.gz KHWNURAZWWSVJV-RHSMWYFYSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H]1C[N@H+](Cc2nc(-c3cccs3)no2)CC[C@@H]1C[NH3+] ZINC000923503674 810105884 /nfs/dbraw/zinc/10/58/84/810105884.db2.gz KSRJONOHFGNMKH-WDEREUQCSA-N 2 1 292.408 2.215 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nc(-c3cccs3)no2)CC[C@@H]1C[NH3+] ZINC000923503674 810105885 /nfs/dbraw/zinc/10/58/85/810105885.db2.gz KSRJONOHFGNMKH-WDEREUQCSA-N 2 1 292.408 2.215 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000711926106 810107266 /nfs/dbraw/zinc/10/72/66/810107266.db2.gz RFDOLKWZBCGFSX-CVEARBPZSA-N 2 1 277.412 2.376 20 0 CEADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172234707 815345737 /nfs/dbraw/zinc/34/57/37/815345737.db2.gz KIOURBOUYKBISF-WYQXTGKHSA-N 2 1 264.413 2.325 20 0 CEADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172234707 815345743 /nfs/dbraw/zinc/34/57/43/815345743.db2.gz KIOURBOUYKBISF-WYQXTGKHSA-N 2 1 264.413 2.325 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001015052069 810257261 /nfs/dbraw/zinc/25/72/61/810257261.db2.gz HSTPXJBGWXVFAH-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP COCCCN1CCC([N@H+]2C[C@@H](C)CC23CC3)CC1 ZINC001172254593 815360678 /nfs/dbraw/zinc/36/06/78/815360678.db2.gz RXVPAWIBIGSIJC-AWEZNQCLSA-N 2 1 266.429 2.362 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2C[C@@H](C)CC23CC3)CC1 ZINC001172254593 815360685 /nfs/dbraw/zinc/36/06/85/815360685.db2.gz RXVPAWIBIGSIJC-AWEZNQCLSA-N 2 1 266.429 2.362 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2C[C@@H](C)CC23CC3)CC1 ZINC001172254593 815360693 /nfs/dbraw/zinc/36/06/93/815360693.db2.gz RXVPAWIBIGSIJC-AWEZNQCLSA-N 2 1 266.429 2.362 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001172256175 815360914 /nfs/dbraw/zinc/36/09/14/815360914.db2.gz RLEMJJXLMLTFIT-CYBMUJFWSA-N 2 1 290.398 2.464 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001172256175 815360920 /nfs/dbraw/zinc/36/09/20/815360920.db2.gz RLEMJJXLMLTFIT-CYBMUJFWSA-N 2 1 290.398 2.464 20 0 CEADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2COC(C)(C)C2)[C@H](C)C1 ZINC001172280203 815375606 /nfs/dbraw/zinc/37/56/06/815375606.db2.gz OHSNJDFSNRUOPR-RDBSUJKOSA-N 2 1 254.418 2.262 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000381628377 810603822 /nfs/dbraw/zinc/60/38/22/810603822.db2.gz IXNIYFNYJLUXFQ-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C(C)C)CC[N@H+]1C ZINC001085204737 810691912 /nfs/dbraw/zinc/69/19/12/810691912.db2.gz HCSIWRVZBZLHMM-ZJIFWQFVSA-N 2 1 295.471 2.142 20 0 CEADMP CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001020239961 810782871 /nfs/dbraw/zinc/78/28/71/810782871.db2.gz OZKBYYCIDMCNOV-DZKIICNBSA-N 2 1 293.455 2.040 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)CC[C@@H]1F ZINC001206164044 815401006 /nfs/dbraw/zinc/40/10/06/815401006.db2.gz JDZSXQUKWORTEV-GJZGRUSLSA-N 2 1 273.355 2.496 20 0 CEADMP Nc1ccc[nH+]c1NCC1C[NH+](Cc2ccccc2)C1 ZINC000716261812 810852850 /nfs/dbraw/zinc/85/28/50/810852850.db2.gz KWZPUEMKFBPTKP-UHFFFAOYSA-N 2 1 268.364 2.208 20 0 CEADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001039438483 811029936 /nfs/dbraw/zinc/02/99/36/811029936.db2.gz YTWWTAYRWJSVOU-PMPSAXMXSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001168845193 811275498 /nfs/dbraw/zinc/27/54/98/811275498.db2.gz KWCZLWZAZPHFAW-KGLIPLIRSA-N 2 1 299.459 2.268 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001168845193 811275503 /nfs/dbraw/zinc/27/55/03/811275503.db2.gz KWCZLWZAZPHFAW-KGLIPLIRSA-N 2 1 299.459 2.268 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001205996741 811349312 /nfs/dbraw/zinc/34/93/12/811349312.db2.gz YABYUPMPGPOGFM-CZUORRHYSA-N 2 1 290.407 2.280 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC1(O)CCCCC1)C2 ZINC001169096447 811366927 /nfs/dbraw/zinc/36/69/27/811366927.db2.gz WVBLIHXYDYIJML-QKDCVEJESA-N 2 1 266.429 2.287 20 0 CEADMP CCCC[N@@H+](CC)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169096781 811366961 /nfs/dbraw/zinc/36/69/61/811366961.db2.gz YJBGURZUKIUCGS-PHZGNYQRSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](CC)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169096781 811366968 /nfs/dbraw/zinc/36/69/68/811366968.db2.gz YJBGURZUKIUCGS-PHZGNYQRSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](CC)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169096781 811366980 /nfs/dbraw/zinc/36/69/80/811366980.db2.gz YJBGURZUKIUCGS-PHZGNYQRSA-N 2 1 267.461 2.323 20 0 CEADMP CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169119318 811386915 /nfs/dbraw/zinc/38/69/15/811386915.db2.gz REEDKIJXEKMREQ-JHJNDJDLSA-N 2 1 293.455 2.039 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](CCO)Cc1ccccc1)C2 ZINC001169124355 811391805 /nfs/dbraw/zinc/39/18/05/811391805.db2.gz QCONSIYMJRHWPA-FVQHAEBGSA-N 2 1 274.408 2.106 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](CCO)Cc1ccccc1)C2 ZINC001169124355 811391813 /nfs/dbraw/zinc/39/18/13/811391813.db2.gz QCONSIYMJRHWPA-FVQHAEBGSA-N 2 1 274.408 2.106 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](CCO)Cc1ccccc1)C2 ZINC001169124355 811391821 /nfs/dbraw/zinc/39/18/21/811391821.db2.gz QCONSIYMJRHWPA-FVQHAEBGSA-N 2 1 274.408 2.106 20 0 CEADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@@]1(C)O ZINC001169126473 811396695 /nfs/dbraw/zinc/39/66/95/811396695.db2.gz UKTLZXWRBSVVJH-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[C@@]1(C)O ZINC001169126473 811396705 /nfs/dbraw/zinc/39/67/05/811396705.db2.gz UKTLZXWRBSVVJH-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[C@@]1(C)O ZINC001169126473 811396711 /nfs/dbraw/zinc/39/67/11/811396711.db2.gz UKTLZXWRBSVVJH-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3[C@H](CC3(F)F)C1)C2 ZINC001169129598 811399784 /nfs/dbraw/zinc/39/97/84/811399784.db2.gz JZSCNVOYQPRVOA-BNDIWNMDSA-N 2 1 256.340 2.199 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@H]3[C@H](CC3(F)F)C1)C2 ZINC001169129598 811399790 /nfs/dbraw/zinc/39/97/90/811399790.db2.gz JZSCNVOYQPRVOA-BNDIWNMDSA-N 2 1 256.340 2.199 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@H]3[C@H](CC3(F)F)C1)C2 ZINC001169129598 811399799 /nfs/dbraw/zinc/39/97/99/811399799.db2.gz JZSCNVOYQPRVOA-BNDIWNMDSA-N 2 1 256.340 2.199 20 0 CEADMP CCOC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169141644 811408156 /nfs/dbraw/zinc/40/81/56/811408156.db2.gz RMIBSSFBRNSHJH-WDNDVIMCSA-N 2 1 252.402 2.113 20 0 CEADMP CCOCC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169148073 811412731 /nfs/dbraw/zinc/41/27/31/811412731.db2.gz XQVFMRJVFGYHGD-ZSHCYNCHSA-N 2 1 266.429 2.360 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]3(C1)CC(F)(F)CO3)C2 ZINC001169155599 811416402 /nfs/dbraw/zinc/41/64/02/811416402.db2.gz RZRJVXQZWUQPAI-DGAVXFQQSA-N 2 1 286.366 2.112 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(C1)CC(F)(F)CO3)C2 ZINC001169155599 811416408 /nfs/dbraw/zinc/41/64/08/811416408.db2.gz RZRJVXQZWUQPAI-DGAVXFQQSA-N 2 1 286.366 2.112 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(C1)CC(F)(F)CO3)C2 ZINC001169155599 811416413 /nfs/dbraw/zinc/41/64/13/811416413.db2.gz RZRJVXQZWUQPAI-DGAVXFQQSA-N 2 1 286.366 2.112 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](Oc3ccncc3)C1)C2 ZINC001169155466 811416538 /nfs/dbraw/zinc/41/65/38/811416538.db2.gz PGRGYAHNKDLHOG-HWMZRRJGSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](Oc3ccncc3)C1)C2 ZINC001169155466 811416544 /nfs/dbraw/zinc/41/65/44/811416544.db2.gz PGRGYAHNKDLHOG-HWMZRRJGSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](Oc3ccncc3)C1)C2 ZINC001169155466 811416547 /nfs/dbraw/zinc/41/65/47/811416547.db2.gz PGRGYAHNKDLHOG-HWMZRRJGSA-N 2 1 287.407 2.160 20 0 CEADMP CC[NH+]1CCC(N(C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169140637 811422617 /nfs/dbraw/zinc/42/26/17/811422617.db2.gz KUONYDLVWFDFOQ-ZSHCYNCHSA-N 3 1 265.445 2.028 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccn3ccnc3c2)CCC[C@H]1C[NH3+] ZINC001206004085 811422767 /nfs/dbraw/zinc/42/27/67/811422767.db2.gz PXIVYLBFUQADQR-ZFWWWQNUSA-N 2 1 272.396 2.141 20 0 CEADMP CCN1CCC([NH2+]Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001169221902 811435853 /nfs/dbraw/zinc/43/58/53/811435853.db2.gz SHNOLQZWPJWUFG-UHFFFAOYSA-N 2 1 275.440 2.322 20 0 CEADMP CC[NH+]1CCC(NCc2cccc(C[NH+](C)C)c2)CC1 ZINC001169221902 811435864 /nfs/dbraw/zinc/43/58/64/811435864.db2.gz SHNOLQZWPJWUFG-UHFFFAOYSA-N 2 1 275.440 2.322 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CCN(c3cccnc3)CC2)CC1 ZINC001169233131 811447971 /nfs/dbraw/zinc/44/79/71/811447971.db2.gz MFNVCLBMAWQHDA-UHFFFAOYSA-N 2 1 288.439 2.124 20 0 CEADMP CC[NH+]1CCC([NH+]2CCC(n3ccnc3)CC2)CC1 ZINC001169265287 811453269 /nfs/dbraw/zinc/45/32/69/811453269.db2.gz OCEAEXUPAKJHSX-UHFFFAOYSA-N 2 1 262.401 2.004 20 0 CEADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001172466255 815448839 /nfs/dbraw/zinc/44/88/39/815448839.db2.gz HLHKLZJZNLYZSI-QLFBSQMISA-N 2 1 256.434 2.367 20 0 CEADMP CC(C)COCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001172466255 815448841 /nfs/dbraw/zinc/44/88/41/815448841.db2.gz HLHKLZJZNLYZSI-QLFBSQMISA-N 2 1 256.434 2.367 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001169258972 811469071 /nfs/dbraw/zinc/46/90/71/811469071.db2.gz WUETWWWRGMGMPJ-CYBMUJFWSA-N 2 1 282.428 2.134 20 0 CEADMP CC[NH+]1CCC([N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001169258972 811469077 /nfs/dbraw/zinc/46/90/77/811469077.db2.gz WUETWWWRGMGMPJ-CYBMUJFWSA-N 2 1 282.428 2.134 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001169484450 811529035 /nfs/dbraw/zinc/52/90/35/811529035.db2.gz MICDKMVENZCUEK-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP c1nc2[nH]c3c(c2c(NCC[C@H]2CCC[NH2+]2)[nH+]1)CCCC3 ZINC001169558462 811564923 /nfs/dbraw/zinc/56/49/23/811564923.db2.gz DLUNQCDOZFCFEZ-LLVKDONJSA-N 2 1 285.395 2.391 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(O)c2F)CCC[C@@H]1C[NH3+] ZINC001206012798 811572653 /nfs/dbraw/zinc/57/26/53/811572653.db2.gz NZDAWSBADDEMQU-NWDGAFQWSA-N 2 1 266.360 2.338 20 0 CEADMP Cc1cccc2c(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)[nH]nc21 ZINC001206165080 815458673 /nfs/dbraw/zinc/45/86/73/815458673.db2.gz MCPNGJPBXVZPNU-CHWSQXEVSA-N 2 1 276.359 2.133 20 0 CEADMP Cc1cccc2c(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)[nH]nc21 ZINC001206165080 815458677 /nfs/dbraw/zinc/45/86/77/815458677.db2.gz MCPNGJPBXVZPNU-CHWSQXEVSA-N 2 1 276.359 2.133 20 0 CEADMP CC[C@H](C)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001045390621 811606052 /nfs/dbraw/zinc/60/60/52/811606052.db2.gz SDADUMMWZMENEA-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCOc1ccnc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206014662 811614623 /nfs/dbraw/zinc/61/46/23/811614623.db2.gz XWBAJFRBFUJYFI-UONOGXRCSA-N 2 1 277.412 2.287 20 0 CEADMP CC(C)Nc1cc[nH+]c(NCC23CC[NH+](CC2)CC3)n1 ZINC001169792744 811672631 /nfs/dbraw/zinc/67/26/31/811672631.db2.gz BADOFMUBVASXIP-UHFFFAOYSA-N 2 1 275.400 2.195 20 0 CEADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C)[NH+](C)C ZINC001109734147 811933845 /nfs/dbraw/zinc/93/38/45/811933845.db2.gz MYQJTQLJXUZGPO-UGUYLWEFSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)CCC[C@@H](C)[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001170088639 812118110 /nfs/dbraw/zinc/11/81/10/812118110.db2.gz XAPHPENBKXWQGI-MRXNPFEDSA-N 2 1 297.487 2.297 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001112987439 812135556 /nfs/dbraw/zinc/13/55/56/812135556.db2.gz IBQICACKOZOIEI-INIZCTEOSA-N 2 1 297.487 2.297 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[N@@H+](CCC[NH3+])C(C)C ZINC001172756999 815507846 /nfs/dbraw/zinc/50/78/46/815507846.db2.gz SMRMOABXIAMEOQ-CYBMUJFWSA-N 2 1 258.406 2.166 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001113341484 812223787 /nfs/dbraw/zinc/22/37/87/812223787.db2.gz YRPSJHYZWCGEPA-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000396538856 812254741 /nfs/dbraw/zinc/25/47/41/812254741.db2.gz KEUZKTIEODCACB-HOCLYGCPSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC[C@H]1CC1(Cl)Cl ZINC000399408428 812263372 /nfs/dbraw/zinc/26/33/72/812263372.db2.gz JLKSXURBSBHLGV-KXUCPTDWSA-N 2 1 251.201 2.382 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC000399408428 812263377 /nfs/dbraw/zinc/26/33/77/812263377.db2.gz JLKSXURBSBHLGV-KXUCPTDWSA-N 2 1 251.201 2.382 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113536720 812270668 /nfs/dbraw/zinc/27/06/68/812270668.db2.gz ZYPHZOKHJWSDTH-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001170211939 812339337 /nfs/dbraw/zinc/33/93/37/812339337.db2.gz SFWALEZQVLLQKO-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001172792636 815524407 /nfs/dbraw/zinc/52/44/07/815524407.db2.gz QIXVNDWAKMEDDW-ILXRZTDVSA-N 2 1 282.428 2.182 20 0 CEADMP CC(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCOC1 ZINC001254372482 812370650 /nfs/dbraw/zinc/37/06/50/812370650.db2.gz KIDGJBIVIYPNKB-KKUMJFAQSA-N 2 1 254.418 2.393 20 0 CEADMP CCc1[nH]c(CN2CCN(c3cc[nH+]cc3C)CC2)c(C)[nH+]1 ZINC001203251857 815521928 /nfs/dbraw/zinc/52/19/28/815521928.db2.gz QVUFRYKVPGNJSG-UHFFFAOYSA-N 2 1 299.422 2.306 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+]CC2CCC3(COC3)CC2)CC1 ZINC001254502241 812411882 /nfs/dbraw/zinc/41/18/82/812411882.db2.gz CNRTYSGTENUISH-OAHLLOKOSA-N 2 1 266.429 2.267 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254509376 812427322 /nfs/dbraw/zinc/42/73/22/812427322.db2.gz FQGFHMANVFAEBF-BRWVUGGUSA-N 3 1 279.472 2.453 20 0 CEADMP C[NH+]1CCC[C@@H]([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254509376 812427326 /nfs/dbraw/zinc/42/73/26/812427326.db2.gz FQGFHMANVFAEBF-BRWVUGGUSA-N 3 1 279.472 2.453 20 0 CEADMP C[NH+]1CCC[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254509376 812427329 /nfs/dbraw/zinc/42/73/29/812427329.db2.gz FQGFHMANVFAEBF-BRWVUGGUSA-N 3 1 279.472 2.453 20 0 CEADMP CN1CCC[C@@H]([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254509376 812427334 /nfs/dbraw/zinc/42/73/34/812427334.db2.gz FQGFHMANVFAEBF-BRWVUGGUSA-N 2 1 279.472 2.453 20 0 CEADMP CN1CCC[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254509376 812427338 /nfs/dbraw/zinc/42/73/38/812427338.db2.gz FQGFHMANVFAEBF-BRWVUGGUSA-N 2 1 279.472 2.453 20 0 CEADMP Cc1ccc2c(c1)C[C@H]([NH+]1C[C@H]3C[N@@H+](C)C[C@H]3C1)CC2 ZINC001172843802 815535378 /nfs/dbraw/zinc/53/53/78/815535378.db2.gz PARGPYQUCCGHIP-FGTMMUONSA-N 2 1 270.420 2.346 20 0 CEADMP CCCC[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622580 812591357 /nfs/dbraw/zinc/59/13/57/812591357.db2.gz PXYRYYZMUREPOL-UHFFFAOYSA-N 2 1 283.460 2.145 20 0 CEADMP CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001054826746 812654484 /nfs/dbraw/zinc/65/44/84/812654484.db2.gz NSTXSZDZKRWVSK-HIFRSBDPSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC001172948256 815544672 /nfs/dbraw/zinc/54/46/72/815544672.db2.gz ZLLNWOMCHKEIKX-CYBMUJFWSA-N 2 1 299.459 2.316 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158473375 812740200 /nfs/dbraw/zinc/74/02/00/812740200.db2.gz KOFHOFAHBBAGOA-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001158473375 812740207 /nfs/dbraw/zinc/74/02/07/812740207.db2.gz KOFHOFAHBBAGOA-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001158473375 812740214 /nfs/dbraw/zinc/74/02/14/812740214.db2.gz KOFHOFAHBBAGOA-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409943 812843396 /nfs/dbraw/zinc/84/33/96/812843396.db2.gz HGSYDQGUAIXRIY-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132409943 812843404 /nfs/dbraw/zinc/84/34/04/812843404.db2.gz HGSYDQGUAIXRIY-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132409943 812843414 /nfs/dbraw/zinc/84/34/14/812843414.db2.gz HGSYDQGUAIXRIY-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132493153 812868678 /nfs/dbraw/zinc/86/86/78/812868678.db2.gz JQVBMPPKHKBBPK-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)n1c[nH+]cc1CC[NH3+] ZINC001172946228 815556599 /nfs/dbraw/zinc/55/65/99/815556599.db2.gz JUZHGEIBZRJLMA-GFCCVEGCSA-N 2 1 296.415 2.202 20 0 CEADMP CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052444896 812993560 /nfs/dbraw/zinc/99/35/60/812993560.db2.gz JCSBXYFRSLARAS-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052444896 812993565 /nfs/dbraw/zinc/99/35/65/812993565.db2.gz JCSBXYFRSLARAS-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052444896 812993570 /nfs/dbraw/zinc/99/35/70/812993570.db2.gz JCSBXYFRSLARAS-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515816 813002583 /nfs/dbraw/zinc/00/25/83/813002583.db2.gz JVCURPOFIPQYIG-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515816 813002590 /nfs/dbraw/zinc/00/25/90/813002590.db2.gz JVCURPOFIPQYIG-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515816 813002599 /nfs/dbraw/zinc/00/25/99/813002599.db2.gz JVCURPOFIPQYIG-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]C(C)C)C1 ZINC001133261903 813020132 /nfs/dbraw/zinc/02/01/32/813020132.db2.gz DHZWUFRFODBRAK-JKSUJKDBSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC001206581464 813022162 /nfs/dbraw/zinc/02/21/62/813022162.db2.gz JENPHMZJYNXQOJ-CVEARBPZSA-N 3 1 267.461 2.229 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000226391539 813040650 /nfs/dbraw/zinc/04/06/50/813040650.db2.gz QLIONMQJKMIUAP-HNNXBMFYSA-N 2 1 286.366 2.318 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000226391539 813040657 /nfs/dbraw/zinc/04/06/57/813040657.db2.gz QLIONMQJKMIUAP-HNNXBMFYSA-N 2 1 286.366 2.318 20 0 CEADMP CCCC[C@H](C)[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001255328202 813066869 /nfs/dbraw/zinc/06/68/69/813066869.db2.gz HQWRYTSPOCMJPO-AWEZNQCLSA-N 2 1 272.433 2.382 20 0 CEADMP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608235 813298888 /nfs/dbraw/zinc/29/88/88/813298888.db2.gz SQUYBBQBNJULSR-CABCVRRESA-N 2 1 297.487 2.390 20 0 CEADMP CC(C)CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134770195 813323561 /nfs/dbraw/zinc/32/35/61/813323561.db2.gz UFSKGZVHOVJPCO-OAHLLOKOSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135103170 813366691 /nfs/dbraw/zinc/36/66/91/813366691.db2.gz XHVQWQJKHMTIFF-HZPDHXFCSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOCC2)[C@H](C)C1 ZINC001170804487 813392730 /nfs/dbraw/zinc/39/27/30/813392730.db2.gz OULZMURZFUOEGE-KFWWJZLASA-N 2 1 254.418 2.264 20 0 CEADMP CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476915 813447066 /nfs/dbraw/zinc/44/70/66/813447066.db2.gz NWEGHORXSIMSOP-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170827990 813475982 /nfs/dbraw/zinc/47/59/82/813475982.db2.gz QHUFJIMABCFYAO-WBVHZDCISA-N 2 1 296.455 2.131 20 0 CEADMP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860752 813548164 /nfs/dbraw/zinc/54/81/64/813548164.db2.gz HFALZDZVFLPHIM-UONOGXRCSA-N 2 1 271.449 2.001 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000399266583 813705373 /nfs/dbraw/zinc/70/53/73/813705373.db2.gz RTJBCZWVMITVLS-KXUCPTDWSA-N 2 1 251.201 2.239 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246111577 813704680 /nfs/dbraw/zinc/70/46/80/813704680.db2.gz JDSXXGXISFNXRY-FZKCQIBNSA-N 3 1 267.461 2.417 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000399499444 813711656 /nfs/dbraw/zinc/71/16/56/813711656.db2.gz JFAOYFHAVQALEW-UONOGXRCSA-N 2 1 256.434 2.057 20 0 CEADMP Fc1cc2c(cc1F)C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC001246186862 813724702 /nfs/dbraw/zinc/72/47/02/813724702.db2.gz IJNVIUCMEDVZBB-CHWSQXEVSA-N 2 1 266.335 2.164 20 0 CEADMP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001246203160 813728492 /nfs/dbraw/zinc/72/84/92/813728492.db2.gz QKZKMBAJKDRCLS-DGAVXFQQSA-N 2 1 282.428 2.214 20 0 CEADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](C)CCCC(C)C ZINC001246199585 813728753 /nfs/dbraw/zinc/72/87/53/813728753.db2.gz KTVBUOVYPYQGQX-KFWWJZLASA-N 2 1 284.444 2.332 20 0 CEADMP Cc1ccc2c(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)c[nH]c2c1 ZINC001136974721 813807697 /nfs/dbraw/zinc/80/76/97/813807697.db2.gz KBJJZLOVQMRSSA-GASCZTMLSA-N 2 1 269.392 2.470 20 0 CEADMP Cc1ccc2c(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c[nH]c2c1 ZINC001136974721 813807703 /nfs/dbraw/zinc/80/77/03/813807703.db2.gz KBJJZLOVQMRSSA-GASCZTMLSA-N 2 1 269.392 2.470 20 0 CEADMP Cc1ccc2c(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c[nH]c2c1 ZINC001136974721 813807711 /nfs/dbraw/zinc/80/77/11/813807711.db2.gz KBJJZLOVQMRSSA-GASCZTMLSA-N 2 1 269.392 2.470 20 0 CEADMP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246443410 813820342 /nfs/dbraw/zinc/82/03/42/813820342.db2.gz YBTRLEBJIRAWAC-ZIAGYGMSSA-N 2 1 261.413 2.398 20 0 CEADMP CCCCOC(=O)CC[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]1 ZINC001246457261 813833559 /nfs/dbraw/zinc/83/35/59/813833559.db2.gz RIJSBDMJPIMXFQ-UKRRQHHQSA-N 2 1 270.417 2.230 20 0 CEADMP CC[C@@]1([NH2+][C@H](C)Cc2ccc(F)cc2)CC[NH2+]C1 ZINC001246462125 813843077 /nfs/dbraw/zinc/84/30/77/813843077.db2.gz QVPCIMTVRHQNNU-IUODEOHRSA-N 2 1 250.361 2.488 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc3c[nH]nc31)C2 ZINC001276390373 813853512 /nfs/dbraw/zinc/85/35/12/813853512.db2.gz IAPTUSGOWLNXBO-QGZVFWFLSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc3c[nH]nc31)C2 ZINC001276390373 813853517 /nfs/dbraw/zinc/85/35/17/813853517.db2.gz IAPTUSGOWLNXBO-QGZVFWFLSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc3c[nH]nc31)C2 ZINC001276390373 813853529 /nfs/dbraw/zinc/85/35/29/813853529.db2.gz IAPTUSGOWLNXBO-QGZVFWFLSA-N 2 1 284.407 2.481 20 0 CEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001246540360 813951898 /nfs/dbraw/zinc/95/18/98/813951898.db2.gz GNOHPMVUJBPQCR-YUTCNCBUSA-N 2 1 262.372 2.495 20 0 CEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001246540360 813951901 /nfs/dbraw/zinc/95/19/01/813951901.db2.gz GNOHPMVUJBPQCR-YUTCNCBUSA-N 2 1 262.372 2.495 20 0 CEADMP CC(C)OC1CCC([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC001246541741 813953210 /nfs/dbraw/zinc/95/32/10/813953210.db2.gz NESYTFSIXKCCSN-ZUJMUWTESA-N 2 1 254.418 2.249 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4cc[nH]c4n3)C[C@H]2C1 ZINC001144188336 813989057 /nfs/dbraw/zinc/98/90/57/813989057.db2.gz WTSTUYITHYLARB-HUUCEWRRSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[NH+]1CCC([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC1 ZINC001246548974 813997176 /nfs/dbraw/zinc/99/71/76/813997176.db2.gz LSNQCQLPRIXMQD-HNNXBMFYSA-N 3 1 271.424 2.014 20 0 CEADMP CCCN1CCC([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)CC1 ZINC001246548974 813997182 /nfs/dbraw/zinc/99/71/82/813997182.db2.gz LSNQCQLPRIXMQD-HNNXBMFYSA-N 2 1 271.424 2.014 20 0 CEADMP CCCN1CCC([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC1 ZINC001246548974 813997189 /nfs/dbraw/zinc/99/71/89/813997189.db2.gz LSNQCQLPRIXMQD-HNNXBMFYSA-N 2 1 271.424 2.014 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)CCO1 ZINC001246557861 814034736 /nfs/dbraw/zinc/03/47/36/814034736.db2.gz LOIUCLLNCQXJNS-LXTVHRRPSA-N 2 1 254.418 2.251 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC001246565532 814060379 /nfs/dbraw/zinc/06/03/79/814060379.db2.gz HWKQVDBBZCRFRU-TUVASFSCSA-N 2 1 282.428 2.025 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144624665 814126756 /nfs/dbraw/zinc/12/67/56/814126756.db2.gz PDRSIEBFUPCZIW-CQSZACIVSA-N 2 1 272.396 2.250 20 0 CEADMP c1nc(CN2CC3(C2)CC[N@H+](CC2CC2)C3)c2ccccn12 ZINC001144618212 814130281 /nfs/dbraw/zinc/13/02/81/814130281.db2.gz JXRCRLKZXRIYSQ-UHFFFAOYSA-N 2 1 296.418 2.252 20 0 CEADMP c1[nH+]c(CN2CC3(C2)CC[N@@H+](CC2CC2)C3)c2ccccn12 ZINC001144618212 814130286 /nfs/dbraw/zinc/13/02/86/814130286.db2.gz JXRCRLKZXRIYSQ-UHFFFAOYSA-N 2 1 296.418 2.252 20 0 CEADMP c1[nH+]c(CN2CC3(C2)CC[N@H+](CC2CC2)C3)c2ccccn12 ZINC001144618212 814130293 /nfs/dbraw/zinc/13/02/93/814130293.db2.gz JXRCRLKZXRIYSQ-UHFFFAOYSA-N 2 1 296.418 2.252 20 0 CEADMP CCN(CC[NH+]1CCCC1)Cc1[nH+]cn2ccccc12 ZINC001144623101 814132933 /nfs/dbraw/zinc/13/29/33/814132933.db2.gz PNWJEASDMCYUBX-UHFFFAOYSA-N 2 1 272.396 2.252 20 0 CEADMP C[N@@H+](Cc1cc(F)c(O)cc1F)CC1CC[NH+](C)CC1 ZINC001144666787 814148899 /nfs/dbraw/zinc/14/88/99/814148899.db2.gz PZHXUYUWFCQBTJ-UHFFFAOYSA-N 2 1 284.350 2.444 20 0 CEADMP C[N@H+](Cc1cc(F)c(O)cc1F)CC1CC[NH+](C)CC1 ZINC001144666787 814148902 /nfs/dbraw/zinc/14/89/02/814148902.db2.gz PZHXUYUWFCQBTJ-UHFFFAOYSA-N 2 1 284.350 2.444 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC[NH2+]1 ZINC001246580118 814151956 /nfs/dbraw/zinc/15/19/56/814151956.db2.gz VZABQMFDLKLFIG-HRCADAONSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246589401 814178955 /nfs/dbraw/zinc/17/89/55/814178955.db2.gz DGWQTOZHBAPGJN-APIJFGDWSA-N 3 1 267.461 2.212 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246589401 814178960 /nfs/dbraw/zinc/17/89/60/814178960.db2.gz DGWQTOZHBAPGJN-APIJFGDWSA-N 3 1 267.461 2.212 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC([NH2+]C(C)C)C1 ZINC001100764913 814182595 /nfs/dbraw/zinc/18/25/95/814182595.db2.gz KSCWFKCQHVLBLV-UHFFFAOYSA-N 2 1 297.487 2.391 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171227307 814193595 /nfs/dbraw/zinc/19/35/95/814193595.db2.gz NNVPLDLPXUESNO-CVEARBPZSA-N 2 1 297.487 2.106 20 0 CEADMP CC(C)[N@@H+](C1C[C@@H](C)[NH2+][C@H](C)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246598115 814194644 /nfs/dbraw/zinc/19/46/44/814194644.db2.gz ZRTBFHXIMLVJCV-RBSFLKMASA-N 3 1 267.461 2.368 20 0 CEADMP CC(C)N(C1C[C@@H](C)[NH2+][C@H](C)C1)[C@@H]1CCC[NH2+]CC1 ZINC001246598115 814194649 /nfs/dbraw/zinc/19/46/49/814194649.db2.gz ZRTBFHXIMLVJCV-RBSFLKMASA-N 2 1 267.461 2.368 20 0 CEADMP CCCCC[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100873020 814198383 /nfs/dbraw/zinc/19/83/83/814198383.db2.gz RKRZVWMVLOIDIH-FHERZECASA-N 2 1 295.471 2.003 20 0 CEADMP CCCCC[C@H](CC)[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246872090 814323309 /nfs/dbraw/zinc/32/33/09/814323309.db2.gz PFJUPOAOTZBIND-HOTGVXAUSA-N 2 1 267.461 2.453 20 0 CEADMP CC[C@@H]1CC[C@H]([N@H+](CCOC)[C@@H]2CCC[NH2+]C2)C1 ZINC001246930280 814441338 /nfs/dbraw/zinc/44/13/38/814441338.db2.gz TZMRATRXCSLQIO-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1CC[C@H]([N@@H+](CCOC)[C@@H]2CCC[NH2+]C2)C1 ZINC001246930280 814441341 /nfs/dbraw/zinc/44/13/41/814441341.db2.gz TZMRATRXCSLQIO-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP CCCC[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001147466322 814445626 /nfs/dbraw/zinc/44/56/26/814445626.db2.gz IUNCFGJPRDOZTR-INIZCTEOSA-N 2 1 291.439 2.185 20 0 CEADMP C[C@@H](Cc1cccc(Cl)c1)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246946875 814459751 /nfs/dbraw/zinc/45/97/51/814459751.db2.gz IRTMZWDWPYJNOQ-BSLXNSKLSA-N 2 1 264.800 2.421 20 0 CEADMP CCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)CC)C2)C1 ZINC001147809445 814496509 /nfs/dbraw/zinc/49/65/09/814496509.db2.gz GJQCXQAVYSSYMR-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001147809445 814496515 /nfs/dbraw/zinc/49/65/15/814496515.db2.gz GJQCXQAVYSSYMR-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001147809445 814496524 /nfs/dbraw/zinc/49/65/24/814496524.db2.gz GJQCXQAVYSSYMR-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH2+]C1CCC([N@@H+](C2CCC2)[C@H]2CCCNC2)CC1 ZINC001246989559 814504237 /nfs/dbraw/zinc/50/42/37/814504237.db2.gz UHPAECICZFVOKD-BCLQGDPASA-N 2 1 265.445 2.124 20 0 CEADMP C[NH2+]C1CCC(N(C2CCC2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246989559 814504239 /nfs/dbraw/zinc/50/42/39/814504239.db2.gz UHPAECICZFVOKD-BCLQGDPASA-N 2 1 265.445 2.124 20 0 CEADMP CC(C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103656140 814514650 /nfs/dbraw/zinc/51/46/50/814514650.db2.gz VFPNRWNBSBJHAN-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP CCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001148651718 814595092 /nfs/dbraw/zinc/59/50/92/814595092.db2.gz OAKFFRBYNMPALW-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@@](C)(C(F)F)O1 ZINC000698781697 814660524 /nfs/dbraw/zinc/66/05/24/814660524.db2.gz OWEGAISLNAZIJQ-YPMHNXCESA-N 2 1 264.360 2.250 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](O)C[C@@H]2C)CC1 ZINC001173115226 815583743 /nfs/dbraw/zinc/58/37/43/815583743.db2.gz ZPXGTXBOPOVZII-SLTXQBBLSA-N 2 1 268.445 2.485 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCc3c(ncn3C)C2)CC1 ZINC001173112445 815583814 /nfs/dbraw/zinc/58/38/14/815583814.db2.gz AZQMTSANMFQDAL-UHFFFAOYSA-N 2 1 290.455 2.431 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](C)CC(OC)OC)CC1 ZINC001173113693 815584603 /nfs/dbraw/zinc/58/46/03/815584603.db2.gz BUVXBLQVCRJZDN-UHFFFAOYSA-N 2 1 272.433 2.190 20 0 CEADMP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173116675 815585999 /nfs/dbraw/zinc/58/59/99/815585999.db2.gz VEWBIKKBHOOQDF-ZDUSSCGKSA-N 2 1 282.428 2.217 20 0 CEADMP CC(C)(C[NH3+])C1CC[NH+](Cc2cscn2)CC1 ZINC000714450273 814905966 /nfs/dbraw/zinc/90/59/66/814905966.db2.gz YCUAGCHHUWQDIG-UHFFFAOYSA-N 2 1 253.415 2.340 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2C1 ZINC001137762853 815678341 /nfs/dbraw/zinc/67/83/41/815678341.db2.gz BHJFIJPLMGIKMR-CALCHBBNSA-N 2 1 296.418 2.256 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2C1 ZINC001137762853 815678346 /nfs/dbraw/zinc/67/83/46/815678346.db2.gz BHJFIJPLMGIKMR-CALCHBBNSA-N 2 1 296.418 2.256 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]2C1 ZINC001137762853 815678349 /nfs/dbraw/zinc/67/83/49/815678349.db2.gz BHJFIJPLMGIKMR-CALCHBBNSA-N 2 1 296.418 2.256 20 0 CEADMP CC[N@H+]1CC[C@@H](N(Cc2ccccc2)C[C@H](C)C[NH3+])C1 ZINC001173354221 815694225 /nfs/dbraw/zinc/69/42/25/815694225.db2.gz XZXWCWJPWPIXDJ-NVXWUHKLSA-N 2 1 275.440 2.178 20 0 CEADMP CC[N@H+]1CC[C@H](N(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173354971 815696582 /nfs/dbraw/zinc/69/65/82/815696582.db2.gz VVBPEYWPUQLYDQ-JYJNAYRXSA-N 2 1 288.439 2.252 20 0 CEADMP CC[N@H+]1CC[C@@H](n2c(C)c(CC[NH3+])c3cc(O)ccc32)C1 ZINC001173357322 815697838 /nfs/dbraw/zinc/69/78/38/815697838.db2.gz OKTBKFSWAQWFKV-CYBMUJFWSA-N 2 1 287.407 2.423 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC001173360954 815700462 /nfs/dbraw/zinc/70/04/62/815700462.db2.gz BCWLTZSXLHUTJJ-FUHWJXTLSA-N 2 1 287.451 2.459 20 0 CEADMP CC[N@@H+]1CC[C@@H](n2ccc(C[NH2+]Cc3ccccc3)n2)C1 ZINC001173369448 815706817 /nfs/dbraw/zinc/70/68/17/815706817.db2.gz VYARZDKDKRQMST-QGZVFWFLSA-N 2 1 284.407 2.440 20 0 CEADMP CC[N@H+]1CC[C@@H](n2ccc(C[NH2+]Cc3ccccc3)n2)C1 ZINC001173369448 815706821 /nfs/dbraw/zinc/70/68/21/815706821.db2.gz VYARZDKDKRQMST-QGZVFWFLSA-N 2 1 284.407 2.440 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001173437750 815715763 /nfs/dbraw/zinc/71/57/63/815715763.db2.gz PGRPQFUXMNHJPI-UONOGXRCSA-N 2 1 270.417 2.040 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC001173630201 815771670 /nfs/dbraw/zinc/77/16/70/815771670.db2.gz PIWZCFRTEQKRNT-VXGQWTEUSA-N 2 1 282.428 2.310 20 0 CEADMP COc1ccc2[nH]cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c2c1 ZINC001138510345 815818570 /nfs/dbraw/zinc/81/85/70/815818570.db2.gz YMIOYXLPCYTRBZ-OKILXGFUSA-N 2 1 285.391 2.170 20 0 CEADMP COc1ccc2[nH]cc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c2c1 ZINC001138510345 815818579 /nfs/dbraw/zinc/81/85/79/815818579.db2.gz YMIOYXLPCYTRBZ-OKILXGFUSA-N 2 1 285.391 2.170 20 0 CEADMP COc1ccc2[nH]cc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)c2c1 ZINC001138510345 815818588 /nfs/dbraw/zinc/81/85/88/815818588.db2.gz YMIOYXLPCYTRBZ-OKILXGFUSA-N 2 1 285.391 2.170 20 0 CEADMP COc1ccc2[nH]cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)c2c1 ZINC001138510345 815818596 /nfs/dbraw/zinc/81/85/96/815818596.db2.gz YMIOYXLPCYTRBZ-OKILXGFUSA-N 2 1 285.391 2.170 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C2CCOCC2)cc1 ZINC001138769841 815891425 /nfs/dbraw/zinc/89/14/25/815891425.db2.gz KWKWTJVIWURECZ-UHFFFAOYSA-N 2 1 292.423 2.238 20 0 CEADMP C[N@H+](Cc1cccc2ccnn21)CC1CC[NH+](C)CC1 ZINC001138807191 815906943 /nfs/dbraw/zinc/90/69/43/815906943.db2.gz ZKRAGQZGJHWOMD-UHFFFAOYSA-N 2 1 272.396 2.108 20 0 CEADMP Cc1cc(Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cc[nH+]1 ZINC001174655329 816068367 /nfs/dbraw/zinc/06/83/67/816068367.db2.gz AHBFFTKXZABXFC-UHFFFAOYSA-N 2 1 296.418 2.303 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174906177 816106896 /nfs/dbraw/zinc/10/68/96/816106896.db2.gz RILLGKJYQJMNBO-ILXRZTDVSA-N 2 1 283.460 2.001 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3c(cnn3C)c2)CC1 ZINC001139951303 816149017 /nfs/dbraw/zinc/14/90/17/816149017.db2.gz UZYSIFRTCOKUIZ-UHFFFAOYSA-N 2 1 286.423 2.489 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3c(cnn3C)c2)CC1 ZINC001139951303 816149021 /nfs/dbraw/zinc/14/90/21/816149021.db2.gz UZYSIFRTCOKUIZ-UHFFFAOYSA-N 2 1 286.423 2.489 20 0 CEADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175255191 816163484 /nfs/dbraw/zinc/16/34/84/816163484.db2.gz DUESNVGMJQZYIZ-CABCVRRESA-N 2 1 283.460 2.144 20 0 CEADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273019 816167077 /nfs/dbraw/zinc/16/70/77/816167077.db2.gz NFHNWNFPFFSCJZ-HNNXBMFYSA-N 2 1 297.487 2.391 20 0 CEADMP CC[NH+]1C[C@H]2C[NH+](Cc3c[nH]c4cccc(O)c34)C[C@@H]2C1 ZINC001140238238 816215018 /nfs/dbraw/zinc/21/50/18/816215018.db2.gz DGAJSUKQMZEUBB-KBPBESRZSA-N 2 1 285.391 2.257 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175529358 816223212 /nfs/dbraw/zinc/22/32/12/816223212.db2.gz URXUMGCQHLRLCE-AWEZNQCLSA-N 2 1 294.443 2.291 20 0 CEADMP C[N@H+]1CCC=C(Nc2c[nH+]ccc2N2CCCC2)C1 ZINC001175576910 816241801 /nfs/dbraw/zinc/24/18/01/816241801.db2.gz MWTYUSKRDZLQKO-UHFFFAOYSA-N 2 1 258.369 2.313 20 0 CEADMP COc1cc(F)cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1 ZINC001140484866 816267287 /nfs/dbraw/zinc/26/72/87/816267287.db2.gz XGMHOUFWFXNLKW-UHFFFAOYSA-N 2 1 278.371 2.362 20 0 CEADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(OC)cc3C)C[C@@H]2C1 ZINC001140680798 816320159 /nfs/dbraw/zinc/32/01/59/816320159.db2.gz WVJPTBXSRKFNKH-HOTGVXAUSA-N 2 1 274.408 2.387 20 0 CEADMP CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801152 816358639 /nfs/dbraw/zinc/35/86/39/816358639.db2.gz HYCPZBJGRYJXDJ-KRWDZBQOSA-N 2 1 298.390 2.150 20 0 CEADMP CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801152 816358645 /nfs/dbraw/zinc/35/86/45/816358645.db2.gz HYCPZBJGRYJXDJ-KRWDZBQOSA-N 2 1 298.390 2.150 20 0 CEADMP OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801133 816359202 /nfs/dbraw/zinc/35/92/02/816359202.db2.gz CJWFCRBBNPDSPG-CYBMUJFWSA-N 2 1 299.296 2.310 20 0 CEADMP OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801133 816359208 /nfs/dbraw/zinc/35/92/08/816359208.db2.gz CJWFCRBBNPDSPG-CYBMUJFWSA-N 2 1 299.296 2.310 20 0 CEADMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)[C@H]1CC[C@H](O)CC1 ZINC001140801895 816361360 /nfs/dbraw/zinc/36/13/60/816361360.db2.gz KBMAAGURMTVRKF-JOCQHMNTSA-N 2 1 259.353 2.298 20 0 CEADMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)[C@H]1CC[C@H](O)CC1 ZINC001140801895 816361368 /nfs/dbraw/zinc/36/13/68/816361368.db2.gz KBMAAGURMTVRKF-JOCQHMNTSA-N 2 1 259.353 2.298 20 0 CEADMP C[N@@H+](Cc1ccc(O)c(F)c1F)CC1CC[NH+](C)CC1 ZINC001140893075 816401932 /nfs/dbraw/zinc/40/19/32/816401932.db2.gz FFCGJZCUVBLPHS-UHFFFAOYSA-N 2 1 284.350 2.444 20 0 CEADMP C[N@H+](Cc1ccc(O)c(F)c1F)CC1CC[NH+](C)CC1 ZINC001140893075 816401936 /nfs/dbraw/zinc/40/19/36/816401936.db2.gz FFCGJZCUVBLPHS-UHFFFAOYSA-N 2 1 284.350 2.444 20 0 CEADMP CC[N@@H+](Cc1ccc(OC)c(N)c1)C1CCN(C)CC1 ZINC001140898796 816405832 /nfs/dbraw/zinc/40/58/32/816405832.db2.gz AQYBCPPYAKKHSL-UHFFFAOYSA-N 2 1 277.412 2.194 20 0 CEADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001140975211 816428914 /nfs/dbraw/zinc/42/89/14/816428914.db2.gz QHOAVMLYRQTFLS-QAPCUYQASA-N 2 1 285.435 2.423 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](CCCc2ccncc2)CC1 ZINC001206295657 816527188 /nfs/dbraw/zinc/52/71/88/816527188.db2.gz MURLYONZRRFDRR-INIZCTEOSA-N 2 1 261.413 2.465 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc3nonc32)CC1 ZINC001206297324 816535908 /nfs/dbraw/zinc/53/59/08/816535908.db2.gz XQNUZPQRXUTLTK-HNNXBMFYSA-N 2 1 274.368 2.174 20 0 CEADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC001204211599 816688442 /nfs/dbraw/zinc/68/84/42/816688442.db2.gz GAQPBKWANFLUQI-UHFFFAOYSA-N 2 1 266.335 2.492 20 0 CEADMP CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178688447 816781883 /nfs/dbraw/zinc/78/18/83/816781883.db2.gz CXWJFHSJUBXDEH-JYJNAYRXSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001178702090 816788538 /nfs/dbraw/zinc/78/85/38/816788538.db2.gz QNVWUVUIWRSMFD-JYJNAYRXSA-N 2 1 295.471 2.225 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)c(N)n1 ZINC001143207390 816810265 /nfs/dbraw/zinc/81/02/65/816810265.db2.gz WEAYUMDUQCLLKH-HNNXBMFYSA-N 2 1 298.390 2.329 20 0 CEADMP Cc1ccc(CN2CC[C@H](Oc3ccncc3C)C2)c(N)n1 ZINC001143207390 816810270 /nfs/dbraw/zinc/81/02/70/816810270.db2.gz WEAYUMDUQCLLKH-HNNXBMFYSA-N 2 1 298.390 2.329 20 0 CEADMP c1c2cccnc2[nH]c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001143212142 816812343 /nfs/dbraw/zinc/81/23/43/816812343.db2.gz NAPMDAGMLJSMEN-UHFFFAOYSA-N 2 1 293.374 2.280 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000601267802 346806989 /nfs/dbraw/zinc/80/69/89/346806989.db2.gz VCDRZZRMSVWLDW-XEBKBJJBSA-N 2 1 293.411 2.149 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342134402 282085085 /nfs/dbraw/zinc/08/50/85/282085085.db2.gz PRJBJPNLHFYKGB-KKUMJFAQSA-N 2 1 296.418 2.497 20 0 CEADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1(C)CC1 ZINC000124502374 187140161 /nfs/dbraw/zinc/14/01/61/187140161.db2.gz FQDSWSICNBNKSO-CQSZACIVSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CCCC1 ZINC000124515854 187141482 /nfs/dbraw/zinc/14/14/82/187141482.db2.gz WWSZPGNERZCEDH-HNNXBMFYSA-N 2 1 281.488 2.428 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000449085539 282094261 /nfs/dbraw/zinc/09/42/61/282094261.db2.gz ODPCWCBJNBSRHC-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000449108611 282103193 /nfs/dbraw/zinc/10/31/93/282103193.db2.gz UZCMKJLNVZDUAY-HNNXBMFYSA-N 2 1 297.487 2.391 20 0 CEADMP Cc1[nH+]ccc(N2CC[N@H+]3CCC[C@H]3C2)c1Cl ZINC000336389095 365567258 /nfs/dbraw/zinc/56/72/58/365567258.db2.gz JUPKLJFBVGWDTD-NSHDSACASA-N 2 1 251.761 2.328 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449109277 282103722 /nfs/dbraw/zinc/10/37/22/282103722.db2.gz WCCDFFGOVFGXGD-UHFFFAOYSA-N 2 1 273.384 2.293 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000449123093 282108996 /nfs/dbraw/zinc/10/89/96/282108996.db2.gz MPDUKBTZJKHRTC-HIFRSBDPSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000449132011 282112721 /nfs/dbraw/zinc/11/27/21/282112721.db2.gz RADXFILWJJTXBI-TUVASFSCSA-N 2 1 254.418 2.262 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCCn1cc[nH+]c1C ZINC000449136751 282114417 /nfs/dbraw/zinc/11/44/17/282114417.db2.gz WDVUGQWDMWRTOV-CQSZACIVSA-N 2 1 294.443 2.112 20 0 CEADMP C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OCC1CC1 ZINC000121812952 365618134 /nfs/dbraw/zinc/61/81/34/365618134.db2.gz VFLLOXFPZQRRIQ-MRXNPFEDSA-N 2 1 266.429 2.363 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OCC1CC1 ZINC000121812952 365618137 /nfs/dbraw/zinc/61/81/37/365618137.db2.gz VFLLOXFPZQRRIQ-MRXNPFEDSA-N 2 1 266.429 2.363 20 0 CEADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000449148957 282120113 /nfs/dbraw/zinc/12/01/13/282120113.db2.gz LTXLBRBWZBCHCB-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP COCC1CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000449150115 282120610 /nfs/dbraw/zinc/12/06/10/282120610.db2.gz QGLCPTOKOQZZOG-OFLPRAFFSA-N 2 1 298.471 2.018 20 0 CEADMP Cc1[nH+]ccn1CCCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000125199043 187174342 /nfs/dbraw/zinc/17/43/42/187174342.db2.gz YFENPJACNSGTQN-INIZCTEOSA-N 2 1 276.428 2.142 20 0 CEADMP Cc1ncsc1CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125298971 187178206 /nfs/dbraw/zinc/17/82/06/187178206.db2.gz KSZPWAGZOHLCIX-XQQFMLRXSA-N 2 1 265.426 2.053 20 0 CEADMP Cc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000125321651 187179426 /nfs/dbraw/zinc/17/94/26/187179426.db2.gz JYRREUKVWKXBFD-XQQFMLRXSA-N 2 1 265.426 2.319 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCC[NH+]1CCCCC1 ZINC000036908159 361870204 /nfs/dbraw/zinc/87/02/04/361870204.db2.gz YFFGSQBFJOJXRO-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000036908159 361870206 /nfs/dbraw/zinc/87/02/06/361870206.db2.gz YFFGSQBFJOJXRO-OAGGEKHMSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000036908159 361870209 /nfs/dbraw/zinc/87/02/09/361870209.db2.gz YFFGSQBFJOJXRO-OAGGEKHMSA-N 3 1 267.461 2.181 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000037859732 361956486 /nfs/dbraw/zinc/95/64/86/361956486.db2.gz NDZAZJYSAXOEBA-NVXWUHKLSA-N 2 1 274.408 2.110 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000125522938 187189580 /nfs/dbraw/zinc/18/95/80/187189580.db2.gz PEPSADBWWIXTPH-CQSZACIVSA-N 2 1 292.423 2.396 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000125522938 187189581 /nfs/dbraw/zinc/18/95/81/187189581.db2.gz PEPSADBWWIXTPH-CQSZACIVSA-N 2 1 292.423 2.396 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)s1 ZINC000090408393 539186379 /nfs/dbraw/zinc/18/63/79/539186379.db2.gz XVMOYYKOZYUOSV-CYBMUJFWSA-N 2 1 296.484 2.130 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125948409 365691532 /nfs/dbraw/zinc/69/15/32/365691532.db2.gz ORACVWRELOAVQF-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000354549027 282191486 /nfs/dbraw/zinc/19/14/86/282191486.db2.gz JOWKCUXWSSPSOV-ARFHVFGLSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+](Cc1ccc(OC)nc1)C1CC[NH2+]CC1 ZINC000621775168 349697459 /nfs/dbraw/zinc/69/74/59/349697459.db2.gz HXTXFHYYXLAQJE-UHFFFAOYSA-N 2 1 263.385 2.054 20 0 CEADMP CCC[N@@H+](Cc1ccc(OC)nc1)C1CC[NH2+]CC1 ZINC000621775168 349697462 /nfs/dbraw/zinc/69/74/62/349697462.db2.gz HXTXFHYYXLAQJE-UHFFFAOYSA-N 2 1 263.385 2.054 20 0 CEADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000621776146 349698154 /nfs/dbraw/zinc/69/81/54/349698154.db2.gz CYYFGKHCERRAHZ-HUUCEWRRSA-N 2 1 275.396 2.054 20 0 CEADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000621776146 349698162 /nfs/dbraw/zinc/69/81/62/349698162.db2.gz CYYFGKHCERRAHZ-HUUCEWRRSA-N 2 1 275.396 2.054 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449347659 282195238 /nfs/dbraw/zinc/19/52/38/282195238.db2.gz DCGYAAMVSKPRAK-ARFHVFGLSA-N 2 1 295.471 2.275 20 0 CEADMP CO[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000091772275 539228010 /nfs/dbraw/zinc/22/80/10/539228010.db2.gz PTRBGHNNHUZZKA-KRWDZBQOSA-N 2 1 292.423 2.238 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+](CCO)CCc1ccccc1 ZINC000305750061 539233754 /nfs/dbraw/zinc/23/37/54/539233754.db2.gz YFNZXRZQCPOBKK-KRWDZBQOSA-N 2 1 276.424 2.008 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+](CCO)CCc1ccccc1 ZINC000305750061 539233756 /nfs/dbraw/zinc/23/37/56/539233756.db2.gz YFNZXRZQCPOBKK-KRWDZBQOSA-N 2 1 276.424 2.008 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCO)CCc1ccccc1 ZINC000305750061 539233758 /nfs/dbraw/zinc/23/37/58/539233758.db2.gz YFNZXRZQCPOBKK-KRWDZBQOSA-N 2 1 276.424 2.008 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449343786 282194217 /nfs/dbraw/zinc/19/42/17/282194217.db2.gz NACAMTGBWRQYRH-XUWVNRHRSA-N 2 1 295.471 2.273 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000449361261 282200310 /nfs/dbraw/zinc/20/03/10/282200310.db2.gz JBFMTDWOQHANCH-HRCADAONSA-N 2 1 295.471 2.084 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1cccc3c1CCC3)C2 ZINC000622004170 349764981 /nfs/dbraw/zinc/76/49/81/349764981.db2.gz LNOBNVNLKUSGHO-WBVHZDCISA-N 2 1 256.393 2.489 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1cccc3c1CCC3)C2 ZINC000622004170 349764984 /nfs/dbraw/zinc/76/49/84/349764984.db2.gz LNOBNVNLKUSGHO-WBVHZDCISA-N 2 1 256.393 2.489 20 0 CEADMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000041664371 362046645 /nfs/dbraw/zinc/04/66/45/362046645.db2.gz WTIXOLQGZWVAAV-YIONKMFJSA-N 2 1 290.407 2.419 20 0 CEADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000041664371 362046652 /nfs/dbraw/zinc/04/66/52/362046652.db2.gz WTIXOLQGZWVAAV-YIONKMFJSA-N 2 1 290.407 2.419 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@@H]1[NH3+] ZINC000336625654 365737430 /nfs/dbraw/zinc/73/74/30/365737430.db2.gz MSVNAUJEWOXEGO-LRDDRELGSA-N 2 1 288.370 2.181 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@@H]1[NH3+] ZINC000336625654 365737433 /nfs/dbraw/zinc/73/74/33/365737433.db2.gz MSVNAUJEWOXEGO-LRDDRELGSA-N 2 1 288.370 2.181 20 0 CEADMP C[C@@H](O)CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000045619953 362163435 /nfs/dbraw/zinc/16/34/35/362163435.db2.gz LZZLXRIXHXNOFQ-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP COC[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000234786931 539306397 /nfs/dbraw/zinc/30/63/97/539306397.db2.gz UQVHHFCKUIKFFQ-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](CO)C(C)C ZINC000449511573 282265619 /nfs/dbraw/zinc/26/56/19/282265619.db2.gz NWKXKYXAUQWAJR-WCXIOVBPSA-N 2 1 282.472 2.492 20 0 CEADMP NC[C@@H]1c2ccccc2CC[N@@H+]1CCc1cccnc1 ZINC000227723564 539316605 /nfs/dbraw/zinc/31/66/05/539316605.db2.gz NBHRMBIPIPEFRP-QGZVFWFLSA-N 2 1 267.376 2.182 20 0 CEADMP COC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559783758 539316662 /nfs/dbraw/zinc/31/66/62/539316662.db2.gz AGDVBDVCQRDZHK-KBMXLJTQSA-N 2 1 262.397 2.446 20 0 CEADMP COC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559783758 539316664 /nfs/dbraw/zinc/31/66/64/539316664.db2.gz AGDVBDVCQRDZHK-KBMXLJTQSA-N 2 1 262.397 2.446 20 0 CEADMP CSCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336712966 365775928 /nfs/dbraw/zinc/77/59/28/365775928.db2.gz SCVFMWSOHJVPFE-CQSZACIVSA-N 2 1 256.459 2.403 20 0 CEADMP CSCCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336712966 365775934 /nfs/dbraw/zinc/77/59/34/365775934.db2.gz SCVFMWSOHJVPFE-CQSZACIVSA-N 2 1 256.459 2.403 20 0 CEADMP CSCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336712966 365775937 /nfs/dbraw/zinc/77/59/37/365775937.db2.gz SCVFMWSOHJVPFE-CQSZACIVSA-N 2 1 256.459 2.403 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H](C)[C@H]3CCOC3)CC2)[nH+]1 ZINC000128102177 365776379 /nfs/dbraw/zinc/77/63/79/365776379.db2.gz QTYUHGWLJIXJBB-CABCVRRESA-N 2 1 289.423 2.373 20 0 CEADMP CSCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336712965 365776586 /nfs/dbraw/zinc/77/65/86/365776586.db2.gz SCVFMWSOHJVPFE-AWEZNQCLSA-N 2 1 256.459 2.403 20 0 CEADMP CSCCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336712965 365776590 /nfs/dbraw/zinc/77/65/90/365776590.db2.gz SCVFMWSOHJVPFE-AWEZNQCLSA-N 2 1 256.459 2.403 20 0 CEADMP CSCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336712965 365776594 /nfs/dbraw/zinc/77/65/94/365776594.db2.gz SCVFMWSOHJVPFE-AWEZNQCLSA-N 2 1 256.459 2.403 20 0 CEADMP CCc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000414321593 529756158 /nfs/dbraw/zinc/75/61/58/529756158.db2.gz CXKIZKCAMDFPGL-CQSZACIVSA-N 2 1 276.428 2.249 20 0 CEADMP CCc1ncc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000414321593 529756159 /nfs/dbraw/zinc/75/61/59/529756159.db2.gz CXKIZKCAMDFPGL-CQSZACIVSA-N 2 1 276.428 2.249 20 0 CEADMP COc1ccccc1C(C)(C)[NH2+]CCc1c[nH+]cn1C ZINC000298584810 539341399 /nfs/dbraw/zinc/34/13/99/539341399.db2.gz YAAIBCAAPHIGPA-UHFFFAOYSA-N 2 1 273.380 2.496 20 0 CEADMP C[C@H](CCc1ccco1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128371016 365785687 /nfs/dbraw/zinc/78/56/87/365785687.db2.gz BZLHNLWPNJCUMH-MRXNPFEDSA-N 2 1 293.455 2.218 20 0 CEADMP C[NH+](C[C@H]1CCOC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336725152 365786868 /nfs/dbraw/zinc/78/68/68/365786868.db2.gz XXHRWKGALIXPEN-QZTJIDSGSA-N 2 1 288.435 2.477 20 0 CEADMP c1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000128013456 187346676 /nfs/dbraw/zinc/34/66/76/187346676.db2.gz BHPCRPKIEPQFJY-HUUCEWRRSA-N 2 1 260.381 2.282 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295075898 199331728 /nfs/dbraw/zinc/33/17/28/199331728.db2.gz RKRYAGCRJSKNIB-XFYFCPPXSA-N 2 1 288.435 2.459 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC(C)C)C[C@@H]1C ZINC000336783911 365799491 /nfs/dbraw/zinc/79/94/91/365799491.db2.gz JAJFTBKOQOEVBY-GJZGRUSLSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC(C)C)C[C@@H]1C ZINC000336783911 365799494 /nfs/dbraw/zinc/79/94/94/365799494.db2.gz JAJFTBKOQOEVBY-GJZGRUSLSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC(C)C)C[C@@H]1C ZINC000336783911 365799497 /nfs/dbraw/zinc/79/94/97/365799497.db2.gz JAJFTBKOQOEVBY-GJZGRUSLSA-N 2 1 256.434 2.464 20 0 CEADMP CC1CC[NH+](CCCCNc2cc[nH+]c(N(C)C)n2)CC1 ZINC000077190304 343910269 /nfs/dbraw/zinc/91/02/69/343910269.db2.gz LODUPMZWZLWFIZ-UHFFFAOYSA-N 2 1 291.443 2.467 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)C[C@H]1C ZINC000090773207 344142813 /nfs/dbraw/zinc/14/28/13/344142813.db2.gz ARXXQKARLIQWGC-OAGGEKHMSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000090773207 344142814 /nfs/dbraw/zinc/14/28/14/344142814.db2.gz ARXXQKARLIQWGC-OAGGEKHMSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000090773207 344142816 /nfs/dbraw/zinc/14/28/16/344142816.db2.gz ARXXQKARLIQWGC-OAGGEKHMSA-N 2 1 267.461 2.037 20 0 CEADMP Cc1cccc(C)c1[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000351591974 219136863 /nfs/dbraw/zinc/13/68/63/219136863.db2.gz IFXMQNPJNSINSI-ZBFHGGJFSA-N 2 1 276.424 2.409 20 0 CEADMP Cc1cccc(C)c1[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351591974 219136864 /nfs/dbraw/zinc/13/68/64/219136864.db2.gz IFXMQNPJNSINSI-ZBFHGGJFSA-N 2 1 276.424 2.409 20 0 CEADMP COC(=O)c1[nH]c(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1C ZINC000602501342 347058799 /nfs/dbraw/zinc/05/87/99/347058799.db2.gz GDUPMGJTPADGBX-UHFFFAOYSA-N 2 1 293.411 2.072 20 0 CEADMP CCc1ccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)o1 ZINC000051724735 362435426 /nfs/dbraw/zinc/43/54/26/362435426.db2.gz HZOLSQJOOCUGHL-KRWDZBQOSA-N 2 1 293.455 2.204 20 0 CEADMP O[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)CC1CCCC1 ZINC000232129328 344576937 /nfs/dbraw/zinc/57/69/37/344576937.db2.gz VLHGHNIORGCNSZ-ZBFHGGJFSA-N 2 1 266.429 2.002 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(C(=O)OC)c(F)c1 ZINC000233456194 344581706 /nfs/dbraw/zinc/58/17/06/344581706.db2.gz MJBHRFRTDLNECO-UHFFFAOYSA-N 2 1 296.386 2.434 20 0 CEADMP OC1CC[NH+](CCC[NH2+]C2CCCCCC2)CC1 ZINC000238135979 344605251 /nfs/dbraw/zinc/60/52/51/344605251.db2.gz VULFHSLOBRRMTQ-UHFFFAOYSA-N 2 1 254.418 2.146 20 0 CEADMP COC(=O)C[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000259968522 344651614 /nfs/dbraw/zinc/65/16/14/344651614.db2.gz JUKFVDJSIDFZRO-OAHLLOKOSA-N 2 1 282.428 2.280 20 0 CEADMP COc1ccnc(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000273199376 192073091 /nfs/dbraw/zinc/07/30/91/192073091.db2.gz SFSVEZGFPDFGMB-UHFFFAOYSA-N 2 1 274.368 2.117 20 0 CEADMP COc1ccnc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000273199376 192073093 /nfs/dbraw/zinc/07/30/93/192073093.db2.gz SFSVEZGFPDFGMB-UHFFFAOYSA-N 2 1 274.368 2.117 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000250625644 344633753 /nfs/dbraw/zinc/63/37/53/344633753.db2.gz DSMPDBOWMZWPMH-KGLIPLIRSA-N 2 1 278.396 2.276 20 0 CEADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(O)c1 ZINC000313919116 344744042 /nfs/dbraw/zinc/74/40/42/344744042.db2.gz APBYXZZHWGMYKQ-LBPRGKRZSA-N 2 1 259.353 2.409 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C(=O)OC)cs2)C1 ZINC000602526483 347067255 /nfs/dbraw/zinc/06/72/55/347067255.db2.gz JZINEHOEZSJBSM-GFCCVEGCSA-N 2 1 296.436 2.356 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C(=O)OC)cs2)C1 ZINC000602526483 347067258 /nfs/dbraw/zinc/06/72/58/347067258.db2.gz JZINEHOEZSJBSM-GFCCVEGCSA-N 2 1 296.436 2.356 20 0 CEADMP CO[C@@]1(C)CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668089975 539411555 /nfs/dbraw/zinc/41/15/55/539411555.db2.gz COWCNCGHFGXNPL-INIZCTEOSA-N 2 1 286.379 2.268 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCCCCO ZINC000336784448 365802581 /nfs/dbraw/zinc/80/25/81/365802581.db2.gz SRRNNPSCKJUFDH-UHFFFAOYSA-N 2 1 253.390 2.066 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCCCCO ZINC000336784448 365802583 /nfs/dbraw/zinc/80/25/83/365802583.db2.gz SRRNNPSCKJUFDH-UHFFFAOYSA-N 2 1 253.390 2.066 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449782259 282365730 /nfs/dbraw/zinc/36/57/30/282365730.db2.gz KMGALMNIZXPTRM-AWEZNQCLSA-N 2 1 264.417 2.126 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449782259 282365732 /nfs/dbraw/zinc/36/57/32/282365732.db2.gz KMGALMNIZXPTRM-AWEZNQCLSA-N 2 1 264.417 2.126 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000351618052 219148301 /nfs/dbraw/zinc/14/83/01/219148301.db2.gz DZLYIUJTEXYWQN-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000351618052 219148304 /nfs/dbraw/zinc/14/83/04/219148304.db2.gz DZLYIUJTEXYWQN-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP COCC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CC[C@H](C)C1 ZINC000584662538 344974645 /nfs/dbraw/zinc/97/46/45/344974645.db2.gz BMZFKRIXKIDTHR-LSDHHAIUSA-N 2 1 279.428 2.490 20 0 CEADMP COCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CC[C@H](C)C1 ZINC000584662538 344974647 /nfs/dbraw/zinc/97/46/47/344974647.db2.gz BMZFKRIXKIDTHR-LSDHHAIUSA-N 2 1 279.428 2.490 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN1CCc2ccccc2C1(C)C ZINC000584662593 344975039 /nfs/dbraw/zinc/97/50/39/344975039.db2.gz DIRUGIBKEZIKHG-HNNXBMFYSA-N 2 1 276.424 2.092 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+]1CCc2ccccc2C1(C)C ZINC000584662593 344975041 /nfs/dbraw/zinc/97/50/41/344975041.db2.gz DIRUGIBKEZIKHG-HNNXBMFYSA-N 2 1 276.424 2.092 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+]1CCc2ccccc2C1(C)C ZINC000584662593 344975042 /nfs/dbraw/zinc/97/50/42/344975042.db2.gz DIRUGIBKEZIKHG-HNNXBMFYSA-N 2 1 276.424 2.092 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCc2ccccc2C1(C)C ZINC000584662593 344975044 /nfs/dbraw/zinc/97/50/44/344975044.db2.gz DIRUGIBKEZIKHG-HNNXBMFYSA-N 2 1 276.424 2.092 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCc2ccccc2C1(C)C ZINC000584662593 344975045 /nfs/dbraw/zinc/97/50/45/344975045.db2.gz DIRUGIBKEZIKHG-HNNXBMFYSA-N 2 1 276.424 2.092 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCc2ccccc2C1(C)C ZINC000584662593 344975047 /nfs/dbraw/zinc/97/50/47/344975047.db2.gz DIRUGIBKEZIKHG-HNNXBMFYSA-N 2 1 276.424 2.092 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCc2ccccc2C1(C)C ZINC000584662593 344975049 /nfs/dbraw/zinc/97/50/49/344975049.db2.gz DIRUGIBKEZIKHG-HNNXBMFYSA-N 2 1 276.424 2.092 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(Cc2nnc(C3CC3)o2)CC1 ZINC000590786885 345180767 /nfs/dbraw/zinc/18/07/67/345180767.db2.gz IMTOEYRFFWKOCT-UHFFFAOYSA-N 2 1 292.427 2.499 20 0 CEADMP c1n[nH]cc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000590798747 345181924 /nfs/dbraw/zinc/18/19/24/345181924.db2.gz XGMUHJWCDUJAGD-MRXNPFEDSA-N 2 1 284.407 2.064 20 0 CEADMP c1n[nH]cc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000590798747 345181927 /nfs/dbraw/zinc/18/19/27/345181927.db2.gz XGMUHJWCDUJAGD-MRXNPFEDSA-N 2 1 284.407 2.064 20 0 CEADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1COc2ccccc2O1 ZINC000591084045 345218552 /nfs/dbraw/zinc/21/85/52/345218552.db2.gz RVXVVUKUHBJGDQ-CABCVRRESA-N 2 1 290.407 2.100 20 0 CEADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1COc2ccccc2O1 ZINC000591084045 345218556 /nfs/dbraw/zinc/21/85/56/345218556.db2.gz RVXVVUKUHBJGDQ-CABCVRRESA-N 2 1 290.407 2.100 20 0 CEADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@H]1COc2ccccc2O1 ZINC000591084045 345218558 /nfs/dbraw/zinc/21/85/58/345218558.db2.gz RVXVVUKUHBJGDQ-CABCVRRESA-N 2 1 290.407 2.100 20 0 CEADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@H]1COc2ccccc2O1 ZINC000591084045 345218559 /nfs/dbraw/zinc/21/85/59/345218559.db2.gz RVXVVUKUHBJGDQ-CABCVRRESA-N 2 1 290.407 2.100 20 0 CEADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC000591095344 345220408 /nfs/dbraw/zinc/22/04/08/345220408.db2.gz KOGCRRZWYUDBLI-HNNXBMFYSA-N 2 1 289.423 2.419 20 0 CEADMP COC(=O)CC1(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000592491892 345360103 /nfs/dbraw/zinc/36/01/03/345360103.db2.gz PVYRGMOEENETMK-CABCVRRESA-N 2 1 294.439 2.041 20 0 CEADMP CCC[C@](C)([NH2+]CCCC1CC[NH2+]CC1)C(=O)OC ZINC000592495183 345360112 /nfs/dbraw/zinc/36/01/12/345360112.db2.gz ISUYGHBKWIINSO-HNNXBMFYSA-N 2 1 270.417 2.088 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000273248854 192087441 /nfs/dbraw/zinc/08/74/41/192087441.db2.gz VSRJQMDLWUPFRI-CYBMUJFWSA-N 2 1 294.443 2.207 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC23CCC3)CCOCC1 ZINC000449152273 260258535 /nfs/dbraw/zinc/25/85/35/260258535.db2.gz DIUSRZHXZZKGPQ-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP COC(=O)c1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c(C)o1 ZINC000594606258 345658799 /nfs/dbraw/zinc/65/87/99/345658799.db2.gz IYVXBRQORBUKNF-UHFFFAOYSA-N 2 1 299.330 2.312 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000623086451 349933872 /nfs/dbraw/zinc/93/38/72/349933872.db2.gz RWVPBVHJPUXIEG-UHFFFAOYSA-N 2 1 281.363 2.143 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000594940434 345710911 /nfs/dbraw/zinc/71/09/11/345710911.db2.gz CRGLZNOJARRKRS-CAOSSQGBSA-N 2 1 296.455 2.284 20 0 CEADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000595020916 345729169 /nfs/dbraw/zinc/72/91/69/345729169.db2.gz VPGDGUDUWSCJQL-ZIAGYGMSSA-N 2 1 284.444 2.286 20 0 CEADMP C[C@H](CSCCF)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000595053099 345735282 /nfs/dbraw/zinc/73/52/82/345735282.db2.gz ZQCAVFBZIXQFTF-ZIAGYGMSSA-N 2 1 292.464 2.168 20 0 CEADMP C[C@H](CSCCF)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000595053099 345735284 /nfs/dbraw/zinc/73/52/84/345735284.db2.gz ZQCAVFBZIXQFTF-ZIAGYGMSSA-N 2 1 292.464 2.168 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC000595314172 345760760 /nfs/dbraw/zinc/76/07/60/345760760.db2.gz RDBNWBZEQLGKKP-QGZVFWFLSA-N 2 1 279.472 2.279 20 0 CEADMP CCO[C@@H]1CCCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000516978686 313100793 /nfs/dbraw/zinc/10/07/93/313100793.db2.gz HRHYJPGURUTHDG-HUUCEWRRSA-N 2 1 265.401 2.290 20 0 CEADMP CC[C@H](C)[N@H+](CCO)CCCCn1cc[nH+]c1C ZINC000336788197 365809514 /nfs/dbraw/zinc/80/95/14/365809514.db2.gz GNHOHRBFXUVKON-ZDUSSCGKSA-N 2 1 253.390 2.065 20 0 CEADMP CC[C@H](C)[N@@H+](CCO)CCCCn1cc[nH+]c1C ZINC000336788197 365809517 /nfs/dbraw/zinc/80/95/17/365809517.db2.gz GNHOHRBFXUVKON-ZDUSSCGKSA-N 2 1 253.390 2.065 20 0 CEADMP COC(=O)CC1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000599019393 346446626 /nfs/dbraw/zinc/44/66/26/346446626.db2.gz JJLIVFQOLFIFFD-SHARSMKWSA-N 2 1 294.439 2.182 20 0 CEADMP COC(=O)CC1CCC([NH2+]CCCn2cc[nH+]c2C)CC1 ZINC000599024058 346448440 /nfs/dbraw/zinc/44/84/40/346448440.db2.gz FTPZPJHIDBHFEI-UHFFFAOYSA-N 2 1 293.411 2.293 20 0 CEADMP COC(=O)CC1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000599049174 346452391 /nfs/dbraw/zinc/45/23/91/346452391.db2.gz NGZRNSQQTAGGLR-HWOWSKLDSA-N 2 1 296.455 2.430 20 0 CEADMP COC(=O)CC1CCC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000599070612 346455614 /nfs/dbraw/zinc/45/56/14/346455614.db2.gz LZRUIEGXAJMMMX-PCKAHOCUSA-N 2 1 296.455 2.430 20 0 CEADMP COC(=O)CCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000599333904 346500422 /nfs/dbraw/zinc/50/04/22/346500422.db2.gz BQNKEHHZDHVIIA-GOEBONIOSA-N 2 1 294.439 2.278 20 0 CEADMP COC(=O)CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000599333904 346500423 /nfs/dbraw/zinc/50/04/23/346500423.db2.gz BQNKEHHZDHVIIA-GOEBONIOSA-N 2 1 294.439 2.278 20 0 CEADMP COC(=O)CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000599333904 346500425 /nfs/dbraw/zinc/50/04/25/346500425.db2.gz BQNKEHHZDHVIIA-GOEBONIOSA-N 2 1 294.439 2.278 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336814652 365856432 /nfs/dbraw/zinc/85/64/32/365856432.db2.gz XRDJEMITOKNDHG-QJPTWQEYSA-N 2 1 282.350 2.416 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336814652 365856436 /nfs/dbraw/zinc/85/64/36/365856436.db2.gz XRDJEMITOKNDHG-QJPTWQEYSA-N 2 1 282.350 2.416 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000128437890 187370050 /nfs/dbraw/zinc/37/00/50/187370050.db2.gz SSAIVIUPVRRPRW-HNNXBMFYSA-N 2 1 295.402 2.460 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC[C@H]2CCC[NH+]2C)C1 ZINC000336821852 365871493 /nfs/dbraw/zinc/87/14/93/365871493.db2.gz JKIVRHCNIYUTKS-DLBZAZTESA-N 2 1 279.472 2.134 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000336821852 365871495 /nfs/dbraw/zinc/87/14/95/365871495.db2.gz JKIVRHCNIYUTKS-DLBZAZTESA-N 2 1 279.472 2.134 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000336821852 365871498 /nfs/dbraw/zinc/87/14/98/365871498.db2.gz JKIVRHCNIYUTKS-DLBZAZTESA-N 2 1 279.472 2.134 20 0 CEADMP CCN(C#N)CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602813037 347209842 /nfs/dbraw/zinc/20/98/42/347209842.db2.gz WGPIOBSHZUFURK-LSDHHAIUSA-N 2 1 278.444 2.032 20 0 CEADMP CCN(C#N)CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000602813037 347209843 /nfs/dbraw/zinc/20/98/43/347209843.db2.gz WGPIOBSHZUFURK-LSDHHAIUSA-N 2 1 278.444 2.032 20 0 CEADMP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877339 347234834 /nfs/dbraw/zinc/23/48/34/347234834.db2.gz GUOFTZLMZAGKTL-HNNXBMFYSA-N 2 1 296.455 2.382 20 0 CEADMP COCCSCCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878438 347235847 /nfs/dbraw/zinc/23/58/47/347235847.db2.gz SWTZCQFXMIGPOZ-UHFFFAOYSA-N 2 1 286.485 2.174 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c(C)s1 ZINC000603434473 347369359 /nfs/dbraw/zinc/36/93/59/347369359.db2.gz QOGDCYRJAQGEPS-NWDGAFQWSA-N 2 1 282.409 2.059 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000606349464 347466032 /nfs/dbraw/zinc/46/60/32/347466032.db2.gz HLKRUTIFZJWJKN-OAHLLOKOSA-N 2 1 275.396 2.171 20 0 CEADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000336831881 365896882 /nfs/dbraw/zinc/89/68/82/365896882.db2.gz RZERIDIWQFEXMV-IRXDYDNUSA-N 2 1 282.472 2.447 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2(C)COC2)CC1 ZINC000608494988 347595476 /nfs/dbraw/zinc/59/54/76/347595476.db2.gz SLHSAADGUAOKTA-UHFFFAOYSA-N 2 1 254.418 2.075 20 0 CEADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000336834507 365902196 /nfs/dbraw/zinc/90/21/96/365902196.db2.gz GKAKRXGVJCMFMX-QGZVFWFLSA-N 2 1 290.455 2.450 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000336834507 365902202 /nfs/dbraw/zinc/90/22/02/365902202.db2.gz GKAKRXGVJCMFMX-QGZVFWFLSA-N 2 1 290.455 2.450 20 0 CEADMP CCSCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000611981737 347831453 /nfs/dbraw/zinc/83/14/53/347831453.db2.gz YCZDVLCQOCEZBX-OAHLLOKOSA-N 2 1 286.485 2.363 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000389228527 539571985 /nfs/dbraw/zinc/57/19/85/539571985.db2.gz HZWVCDBVSJSNFV-JYJNAYRXSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000130096361 365924338 /nfs/dbraw/zinc/92/43/38/365924338.db2.gz WONWIJBRMHIPSW-ZBFHGGJFSA-N 2 1 288.439 2.123 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000130096361 365924342 /nfs/dbraw/zinc/92/43/42/365924342.db2.gz WONWIJBRMHIPSW-ZBFHGGJFSA-N 2 1 288.439 2.123 20 0 CEADMP c1cc(CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc2c1OCC2 ZINC000334419066 539591689 /nfs/dbraw/zinc/59/16/89/539591689.db2.gz SERKPASSECKFHF-SFHVURJKSA-N 2 1 286.419 2.240 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000086777897 179329190 /nfs/dbraw/zinc/32/91/90/179329190.db2.gz QAORMFPKRRNEFO-VIFPVBQESA-N 2 1 259.806 2.357 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000086777897 179329191 /nfs/dbraw/zinc/32/91/91/179329191.db2.gz QAORMFPKRRNEFO-VIFPVBQESA-N 2 1 259.806 2.357 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCC(F)(F)C3)C2)C1 ZINC000336268462 539605395 /nfs/dbraw/zinc/60/53/95/539605395.db2.gz RNIZGDUTXFTCMG-OLZOCXBDSA-N 2 1 258.356 2.449 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CCC(F)(F)C3)C2)C1 ZINC000336268462 539605398 /nfs/dbraw/zinc/60/53/98/539605398.db2.gz RNIZGDUTXFTCMG-OLZOCXBDSA-N 2 1 258.356 2.449 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CCC(F)(F)C3)C2)C1 ZINC000336268462 539605400 /nfs/dbraw/zinc/60/54/00/539605400.db2.gz RNIZGDUTXFTCMG-OLZOCXBDSA-N 2 1 258.356 2.449 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)C1CCOCC1 ZINC000532474856 313349212 /nfs/dbraw/zinc/34/92/12/313349212.db2.gz PUIFPLKMGQPVHV-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP FC(F)COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357055464 233000771 /nfs/dbraw/zinc/00/07/71/233000771.db2.gz ROPMDWHRSQJOOO-ZIAGYGMSSA-N 2 1 296.361 2.372 20 0 CEADMP FC(F)COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357055464 233000773 /nfs/dbraw/zinc/00/07/73/233000773.db2.gz ROPMDWHRSQJOOO-ZIAGYGMSSA-N 2 1 296.361 2.372 20 0 CEADMP CCn1ccnc1[C@@H](C)NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000456350453 539631787 /nfs/dbraw/zinc/63/17/87/539631787.db2.gz KAEWWTXBSPVKRG-ZIAGYGMSSA-N 2 1 292.427 2.345 20 0 CEADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CC[NH+]1CCCC[C@H]1C ZINC000456376979 539632833 /nfs/dbraw/zinc/63/28/33/539632833.db2.gz LHEOGAVXYDWZHH-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000456376979 539632837 /nfs/dbraw/zinc/63/28/37/539632837.db2.gz LHEOGAVXYDWZHH-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)CC[N@H+]1CCCC[C@H]1C ZINC000456376979 539632841 /nfs/dbraw/zinc/63/28/41/539632841.db2.gz LHEOGAVXYDWZHH-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC[C@H]1O ZINC000339068972 539659243 /nfs/dbraw/zinc/65/92/43/539659243.db2.gz IZMJMABRLRWSDY-QKPAOTATSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)C(C)(C)C ZINC000617508237 348718274 /nfs/dbraw/zinc/71/82/74/348718274.db2.gz ZAOMKUQFEWIUPF-AWEZNQCLSA-N 2 1 299.503 2.447 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)C(C)(C)C ZINC000617508237 348718279 /nfs/dbraw/zinc/71/82/79/348718279.db2.gz ZAOMKUQFEWIUPF-AWEZNQCLSA-N 2 1 299.503 2.447 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(C)CCC[C@@H]1C ZINC000617508068 348718600 /nfs/dbraw/zinc/71/86/00/348718600.db2.gz UAOKGPKLALADKG-YQQAZPJKSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(C)CCC[C@@H]1C ZINC000617508068 348718605 /nfs/dbraw/zinc/71/86/05/348718605.db2.gz UAOKGPKLALADKG-YQQAZPJKSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507802 348718635 /nfs/dbraw/zinc/71/86/35/348718635.db2.gz JRSNKGNNULLTNB-ARFHVFGLSA-N 2 1 297.487 2.057 20 0 CEADMP CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507802 348718639 /nfs/dbraw/zinc/71/86/39/348718639.db2.gz JRSNKGNNULLTNB-ARFHVFGLSA-N 2 1 297.487 2.057 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000339253443 539676689 /nfs/dbraw/zinc/67/66/89/539676689.db2.gz IBCCELDQBAOIED-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000617922023 348823546 /nfs/dbraw/zinc/82/35/46/348823546.db2.gz CHKZBGVRTYIIAG-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1ccc([S@@](C)=O)cc1 ZINC000358235812 539696145 /nfs/dbraw/zinc/69/61/45/539696145.db2.gz YWYGQWJBRQLRFJ-XBMZAUBUSA-N 2 1 294.464 2.415 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccc([S@@](C)=O)cc1 ZINC000358235812 539696149 /nfs/dbraw/zinc/69/61/49/539696149.db2.gz YWYGQWJBRQLRFJ-XBMZAUBUSA-N 2 1 294.464 2.415 20 0 CEADMP C[C@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400507045 233179257 /nfs/dbraw/zinc/17/92/57/233179257.db2.gz IFFKYGFMHOLTSH-CGTJXYLNSA-N 2 1 287.451 2.381 20 0 CEADMP CCOC1CC(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000352015097 219290614 /nfs/dbraw/zinc/29/06/14/219290614.db2.gz PDSHKLWKCLVYCC-LQULJDIASA-N 2 1 254.418 2.216 20 0 CEADMP CCOC1CC(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000352015097 219290617 /nfs/dbraw/zinc/29/06/17/219290617.db2.gz PDSHKLWKCLVYCC-LQULJDIASA-N 2 1 254.418 2.216 20 0 CEADMP CCOC1CC(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000352015097 219290618 /nfs/dbraw/zinc/29/06/18/219290618.db2.gz PDSHKLWKCLVYCC-LQULJDIASA-N 2 1 254.418 2.216 20 0 CEADMP CCOC1CC(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000352015097 219290620 /nfs/dbraw/zinc/29/06/20/219290620.db2.gz PDSHKLWKCLVYCC-LQULJDIASA-N 2 1 254.418 2.216 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000234907397 539743951 /nfs/dbraw/zinc/74/39/51/539743951.db2.gz ZMYMDHVBYYLUKF-ZFWWWQNUSA-N 2 1 262.397 2.358 20 0 CEADMP CC[NH+](CC)C[C@@H](C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623402739 350010005 /nfs/dbraw/zinc/01/00/05/350010005.db2.gz XTYGYQGINBNVMV-KGLIPLIRSA-N 2 1 255.450 2.179 20 0 CEADMP c1[nH]nc2cccc(CN[C@H]3CC[N@@H+](CC4CC4)C3)c12 ZINC000623410436 350011849 /nfs/dbraw/zinc/01/18/49/350011849.db2.gz OLQQIQLLHLUOSZ-AWEZNQCLSA-N 2 1 270.380 2.137 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCCCO2)CC1(C)C ZINC000623487624 350032275 /nfs/dbraw/zinc/03/22/75/350032275.db2.gz KMNTVYGEFPRWLD-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)C[C@@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623436948 350020152 /nfs/dbraw/zinc/02/01/52/350020152.db2.gz LFLBQRACBBLZDK-HUUCEWRRSA-N 2 1 270.461 2.494 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)CC1(C)C ZINC000623468693 350027050 /nfs/dbraw/zinc/02/70/50/350027050.db2.gz CAUNGSMAZHEACI-CHWSQXEVSA-N 2 1 256.434 2.246 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)CC1(C)C ZINC000623472168 350028035 /nfs/dbraw/zinc/02/80/35/350028035.db2.gz GXAIIZCXTFZQEX-OLZOCXBDSA-N 2 1 254.418 2.406 20 0 CEADMP COc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1OC1CC1 ZINC000623478207 350029704 /nfs/dbraw/zinc/02/97/04/350029704.db2.gz DAPMMEONXPCLKE-UHFFFAOYSA-N 2 1 290.407 2.422 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000623656845 350075710 /nfs/dbraw/zinc/07/57/10/350075710.db2.gz DDCQUHURSNJHHL-ZDUSSCGKSA-N 2 1 274.412 2.176 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000623656845 350075712 /nfs/dbraw/zinc/07/57/12/350075712.db2.gz DDCQUHURSNJHHL-ZDUSSCGKSA-N 2 1 274.412 2.176 20 0 CEADMP CO[C@@H](CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(F)(F)F ZINC000623504694 350036228 /nfs/dbraw/zinc/03/62/28/350036228.db2.gz ZSLCYXCRHFLYEZ-MNOVXSKESA-N 2 1 282.350 2.416 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)CC1(C)C ZINC000623507554 350037613 /nfs/dbraw/zinc/03/76/13/350037613.db2.gz QHQPDYWDMKDHPM-ZIAGYGMSSA-N 2 1 274.408 2.322 20 0 CEADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623724725 350093119 /nfs/dbraw/zinc/09/31/19/350093119.db2.gz STFIGCMZKXFQPO-XHJNMGKDSA-N 2 1 254.418 2.261 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000624121614 350199667 /nfs/dbraw/zinc/19/96/67/350199667.db2.gz YYVICEAXUULENJ-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000624123582 350201856 /nfs/dbraw/zinc/20/18/56/350201856.db2.gz ONUQCDANPQBGFG-QPSCCSFWSA-N 2 1 266.429 2.121 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](OC)C2)[C@@H](C)C1 ZINC000624309277 350257579 /nfs/dbraw/zinc/25/75/79/350257579.db2.gz IZVRBMJYUAHBAA-NXOAAHMSSA-N 2 1 298.471 2.138 20 0 CEADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CCCC12CC2 ZINC000624316618 350259195 /nfs/dbraw/zinc/25/91/95/350259195.db2.gz RXTQSMJTRTZSMM-HOCLYGCPSA-N 2 1 278.440 2.410 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCOCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000147462054 539797125 /nfs/dbraw/zinc/79/71/25/539797125.db2.gz BUWYXOQBGWEDQP-MNOVXSKESA-N 2 1 268.323 2.015 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C1CC1 ZINC000625209299 350429641 /nfs/dbraw/zinc/42/96/41/350429641.db2.gz HILYPHIALCAXJW-NVXWUHKLSA-N 2 1 280.456 2.465 20 0 CEADMP CCO[C@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CC1 ZINC000625209299 350429644 /nfs/dbraw/zinc/42/96/44/350429644.db2.gz HILYPHIALCAXJW-NVXWUHKLSA-N 2 1 280.456 2.465 20 0 CEADMP CCO[C@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CC1 ZINC000625209299 350429647 /nfs/dbraw/zinc/42/96/47/350429647.db2.gz HILYPHIALCAXJW-NVXWUHKLSA-N 2 1 280.456 2.465 20 0 CEADMP CCO[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)CC)C1)C1CC1 ZINC000625214269 350430733 /nfs/dbraw/zinc/43/07/33/350430733.db2.gz HUCXGLNKIXRLFS-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CCO[C@H](C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C)C1CC1 ZINC000625255941 350443186 /nfs/dbraw/zinc/44/31/86/350443186.db2.gz OZDNTLVVDXVPBZ-VNQPRFMTSA-N 2 1 268.445 2.464 20 0 CEADMP CCO[C@H](C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C)C1CC1 ZINC000625255941 350443192 /nfs/dbraw/zinc/44/31/92/350443192.db2.gz OZDNTLVVDXVPBZ-VNQPRFMTSA-N 2 1 268.445 2.464 20 0 CEADMP CCO[C@H](C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C)C1CC1 ZINC000625255941 350443194 /nfs/dbraw/zinc/44/31/94/350443194.db2.gz OZDNTLVVDXVPBZ-VNQPRFMTSA-N 2 1 268.445 2.464 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)n[nH]c2C)[C@H](C)C1 ZINC000130492075 365962102 /nfs/dbraw/zinc/96/21/02/365962102.db2.gz NLAZHIMOCHBTAW-IAQYHMDHSA-N 2 1 264.417 2.189 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)n[nH]c2C)[C@H](C)C1 ZINC000130492075 365962105 /nfs/dbraw/zinc/96/21/05/365962105.db2.gz NLAZHIMOCHBTAW-IAQYHMDHSA-N 2 1 264.417 2.189 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)n[nH]c2C)[C@H](C)C1 ZINC000130492075 365962108 /nfs/dbraw/zinc/96/21/08/365962108.db2.gz NLAZHIMOCHBTAW-IAQYHMDHSA-N 2 1 264.417 2.189 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)n[nH]c2C)[C@H](C)C1 ZINC000130492075 365962110 /nfs/dbraw/zinc/96/21/10/365962110.db2.gz NLAZHIMOCHBTAW-IAQYHMDHSA-N 2 1 264.417 2.189 20 0 CEADMP C[N@H+](Cc1cccc2c1NCC2)CC1CC[NH+](C)CC1 ZINC000130556790 365968265 /nfs/dbraw/zinc/96/82/65/365968265.db2.gz ILAQNGLWHGLIOU-UHFFFAOYSA-N 2 1 273.424 2.428 20 0 CEADMP CC[NH+](CC)[C@H](CNC(=O)Cn1c[nH+]cc1C)CC(C)C ZINC000625544431 350524755 /nfs/dbraw/zinc/52/47/55/350524755.db2.gz USTVENQXRDHEOE-HNNXBMFYSA-N 2 1 294.443 2.064 20 0 CEADMP C/C=C/C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000626164021 350675663 /nfs/dbraw/zinc/67/56/63/350675663.db2.gz VEQKWEOLMJFBKP-YMBFEGSUSA-N 2 1 266.429 2.120 20 0 CEADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000626164021 350675665 /nfs/dbraw/zinc/67/56/65/350675665.db2.gz VEQKWEOLMJFBKP-YMBFEGSUSA-N 2 1 266.429 2.120 20 0 CEADMP C/C=C/C[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000626164021 350675668 /nfs/dbraw/zinc/67/56/68/350675668.db2.gz VEQKWEOLMJFBKP-YMBFEGSUSA-N 2 1 266.429 2.120 20 0 CEADMP C/C=C/C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000626164021 350675670 /nfs/dbraw/zinc/67/56/70/350675670.db2.gz VEQKWEOLMJFBKP-YMBFEGSUSA-N 2 1 266.429 2.120 20 0 CEADMP COC(=O)c1coc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000130796482 365992375 /nfs/dbraw/zinc/99/23/75/365992375.db2.gz DCPUFOKXLNWGJQ-AGUYFDCRSA-N 2 1 292.379 2.171 20 0 CEADMP COC(=O)c1coc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000130796482 365992381 /nfs/dbraw/zinc/99/23/81/365992381.db2.gz DCPUFOKXLNWGJQ-AGUYFDCRSA-N 2 1 292.379 2.171 20 0 CEADMP COCCCCC[N@H+]1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337067392 366006378 /nfs/dbraw/zinc/00/63/78/366006378.db2.gz KTRHPAXNRXXYAN-DLBZAZTESA-N 2 1 276.424 2.477 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000111240737 186374758 /nfs/dbraw/zinc/37/47/58/186374758.db2.gz GAYHUJKEVYCVTG-SFHVURJKSA-N 2 1 290.451 2.396 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CC(F)(F)C1 ZINC000628216934 351009200 /nfs/dbraw/zinc/00/92/00/351009200.db2.gz FWRQAZVILHDXMD-JSGCOSHPSA-N 2 1 290.398 2.247 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(C2CC2)o1 ZINC000628201452 351001816 /nfs/dbraw/zinc/00/18/16/351001816.db2.gz GQEXEJOJQOITMX-LLVKDONJSA-N 2 1 274.368 2.483 20 0 CEADMP CCC1([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCOCC1 ZINC000628233961 351020233 /nfs/dbraw/zinc/02/02/33/351020233.db2.gz DZKLFOAAPRKKPW-CYBMUJFWSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(C3CC3)o2)C1 ZINC000628281420 351040268 /nfs/dbraw/zinc/04/02/68/351040268.db2.gz XSNAOLLHDGBCBM-UKRRQHHQSA-N 2 1 275.396 2.468 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(C3CC3)o2)C1 ZINC000628281420 351040271 /nfs/dbraw/zinc/04/02/71/351040271.db2.gz XSNAOLLHDGBCBM-UKRRQHHQSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnc(C3CC3)o2)C1 ZINC000628281420 351040273 /nfs/dbraw/zinc/04/02/73/351040273.db2.gz XSNAOLLHDGBCBM-UKRRQHHQSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnc(C3CC3)o2)C1 ZINC000628281420 351040276 /nfs/dbraw/zinc/04/02/76/351040276.db2.gz XSNAOLLHDGBCBM-UKRRQHHQSA-N 2 1 275.396 2.468 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@]3(C)CCCS3)C2)C1 ZINC000628292782 351045971 /nfs/dbraw/zinc/04/59/71/351045971.db2.gz UBPCXYCWQQFYBB-KBPBESRZSA-N 2 1 254.443 2.300 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@]3(C)CCCS3)C2)C1 ZINC000628292782 351045973 /nfs/dbraw/zinc/04/59/73/351045973.db2.gz UBPCXYCWQQFYBB-KBPBESRZSA-N 2 1 254.443 2.300 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@]3(C)CCCS3)C2)C1 ZINC000628292782 351045976 /nfs/dbraw/zinc/04/59/76/351045976.db2.gz UBPCXYCWQQFYBB-KBPBESRZSA-N 2 1 254.443 2.300 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@]1(C)CCCS1)CCO2 ZINC000628322590 351062696 /nfs/dbraw/zinc/06/26/96/351062696.db2.gz BZQYESRVWICBQX-CQSZACIVSA-N 2 1 284.469 2.069 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@]2(C)CCCS2)CCO1 ZINC000628352687 351076564 /nfs/dbraw/zinc/07/65/64/351076564.db2.gz QKXAGMAQFDELPP-GJZGRUSLSA-N 2 1 286.485 2.315 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)C[NH2+]1 ZINC000629543333 351404928 /nfs/dbraw/zinc/40/49/28/351404928.db2.gz YRPQFUHSQUMEBU-TUVASFSCSA-N 2 1 276.428 2.176 20 0 CEADMP CCCCO[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629544977 351405851 /nfs/dbraw/zinc/40/58/51/351405851.db2.gz ORFDKTVHOWXVEI-CRWXNKLISA-N 2 1 254.418 2.310 20 0 CEADMP COc1ccncc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000629545228 351406078 /nfs/dbraw/zinc/40/60/78/351406078.db2.gz KSZYGKGUNDDDKP-HNNXBMFYSA-N 2 1 289.423 2.302 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2CC)C12CCCC2 ZINC000629527415 351391464 /nfs/dbraw/zinc/39/14/64/351391464.db2.gz VIQHKQBNYKGYNG-GBJTYRQASA-N 2 1 266.429 2.454 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000629545144 351406157 /nfs/dbraw/zinc/40/61/57/351406157.db2.gz CBTBDJLJBCAFQF-STECZYCISA-N 2 1 274.408 2.102 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccncc2Br)C1 ZINC000629529246 351394130 /nfs/dbraw/zinc/39/41/30/351394130.db2.gz WKBAVRXPETWGJC-NSHDSACASA-N 2 1 298.228 2.405 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2cc(CO)ccc2F)[C@H]1CC[NH3+] ZINC000629535666 351397938 /nfs/dbraw/zinc/39/79/38/351397938.db2.gz FLFHIQMENYQFTK-LRDDRELGSA-N 2 1 280.387 2.267 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000070074090 363026818 /nfs/dbraw/zinc/02/68/18/363026818.db2.gz NRPKCAHRAZFLAT-ZDUSSCGKSA-N 2 1 278.396 2.265 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000070074596 363027672 /nfs/dbraw/zinc/02/76/72/363027672.db2.gz BVMUFBKLGMWRGD-SWLSCSKDSA-N 2 1 276.380 2.032 20 0 CEADMP CC(C)O[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1(C)C ZINC000629542982 351403973 /nfs/dbraw/zinc/40/39/73/351403973.db2.gz QJQKSLJTEVJIJN-RFGFWPKPSA-N 2 1 254.418 2.309 20 0 CEADMP C[C@@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C[C@@H]1C[NH3+] ZINC000629648595 351447103 /nfs/dbraw/zinc/44/71/03/351447103.db2.gz RSDRKUIZLQXUEM-CJNGLKHVSA-N 2 1 272.392 2.379 20 0 CEADMP C[C@@H]1C[N@H+](CC2=Cc3ccccc3OC2)CC[C@@H]1[NH3+] ZINC000629652059 351449956 /nfs/dbraw/zinc/44/99/56/351449956.db2.gz USDWUBMQGYMNGP-DOMZBBRYSA-N 2 1 258.365 2.132 20 0 CEADMP C[C@@H]1C[N@@H+](CC2=Cc3ccccc3OC2)CC[C@@H]1[NH3+] ZINC000629652059 351449958 /nfs/dbraw/zinc/44/99/58/351449958.db2.gz USDWUBMQGYMNGP-DOMZBBRYSA-N 2 1 258.365 2.132 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000629653169 351450743 /nfs/dbraw/zinc/45/07/43/351450743.db2.gz HILINLGJLSLHJD-AEGPPILISA-N 2 1 292.423 2.452 20 0 CEADMP COC1(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCCC1 ZINC000629652997 351451092 /nfs/dbraw/zinc/45/10/92/351451092.db2.gz DNXHWXBUGKAAET-NWDGAFQWSA-N 2 1 294.361 2.405 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H](C)Cc1ccccc1 ZINC000629653250 351451368 /nfs/dbraw/zinc/45/13/68/351451368.db2.gz JCQCBMBJKLDUKP-HNNXBMFYSA-N 2 1 264.413 2.033 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)CC[C@H](C)c1ccccc1 ZINC000629654981 351451930 /nfs/dbraw/zinc/45/19/30/351451930.db2.gz VESSWMJFGBOYAD-HNNXBMFYSA-N 2 1 264.413 2.348 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000629654837 351452541 /nfs/dbraw/zinc/45/25/41/351452541.db2.gz RYJWFRBZJHJIAV-UHFFFAOYSA-N 2 1 274.767 2.147 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1cc2ccccc2s1 ZINC000629664840 351456716 /nfs/dbraw/zinc/45/67/16/351456716.db2.gz SKGDPJYOFWAFKR-UHFFFAOYSA-N 2 1 264.394 2.308 20 0 CEADMP COc1cccc2c1C[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C2 ZINC000629664151 351456900 /nfs/dbraw/zinc/45/69/00/351456900.db2.gz JGDQRJIVOAYXFI-OLZOCXBDSA-N 2 1 260.381 2.399 20 0 CEADMP C[N@@H+](CCOCC[NH3+])[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000629667231 351458772 /nfs/dbraw/zinc/45/87/72/351458772.db2.gz VYUMQWCOTQHBFK-SJORKVTESA-N 2 1 276.424 2.404 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)CC[C@H]1C(F)(F)F ZINC000629561037 351414892 /nfs/dbraw/zinc/41/48/92/351414892.db2.gz GMKFSJHGKWZVCD-JHJVBQTASA-N 2 1 294.361 2.405 20 0 CEADMP CC[C@H](C)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564258 351415481 /nfs/dbraw/zinc/41/54/81/351415481.db2.gz SERRKSRCMRCZHG-HBNTYKKESA-N 2 1 252.324 2.492 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCC2)CC[C@@H]1C(F)(F)F ZINC000629565611 351416895 /nfs/dbraw/zinc/41/68/95/351416895.db2.gz WNSFYUGFJCLLQJ-MNOVXSKESA-N 2 1 250.308 2.246 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)CCc1c(F)cccc1Cl ZINC000629572352 351418748 /nfs/dbraw/zinc/41/87/48/351418748.db2.gz ZWAQOGBAGURUKN-UHFFFAOYSA-N 2 1 288.794 2.189 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCOc1ccc(F)cc1)C2 ZINC000629584421 351423400 /nfs/dbraw/zinc/42/34/00/351423400.db2.gz QQCNUOXQQDZYTH-IYBDPMFKSA-N 2 1 278.371 2.136 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCOc1ccc(F)cc1)C2 ZINC000629584421 351423404 /nfs/dbraw/zinc/42/34/04/351423404.db2.gz QQCNUOXQQDZYTH-IYBDPMFKSA-N 2 1 278.371 2.136 20 0 CEADMP COC[C@H](C)[N@@H+](CCC[NH3+])[C@H]1CCc2ccccc21 ZINC000629589960 351425153 /nfs/dbraw/zinc/42/51/53/351425153.db2.gz GFDMKYXDSPEZTH-BBRMVZONSA-N 2 1 262.397 2.360 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(OC)c1 ZINC000070171550 363044450 /nfs/dbraw/zinc/04/44/50/363044450.db2.gz RUXYEOXKFYSIEQ-OLZOCXBDSA-N 2 1 278.396 2.263 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(OC)c1 ZINC000070171550 363044456 /nfs/dbraw/zinc/04/44/56/363044456.db2.gz RUXYEOXKFYSIEQ-OLZOCXBDSA-N 2 1 278.396 2.263 20 0 CEADMP COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1OC ZINC000070171566 363045067 /nfs/dbraw/zinc/04/50/67/363045067.db2.gz ICVLAHNDJUYQRB-CHWSQXEVSA-N 2 1 278.396 2.263 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1OC ZINC000070171566 363045071 /nfs/dbraw/zinc/04/50/71/363045071.db2.gz ICVLAHNDJUYQRB-CHWSQXEVSA-N 2 1 278.396 2.263 20 0 CEADMP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174160 363047073 /nfs/dbraw/zinc/04/70/73/363047073.db2.gz LXMABKKFWWJKOD-UKRRQHHQSA-N 2 1 290.407 2.327 20 0 CEADMP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174160 363047077 /nfs/dbraw/zinc/04/70/77/363047077.db2.gz LXMABKKFWWJKOD-UKRRQHHQSA-N 2 1 290.407 2.327 20 0 CEADMP CC(C)OCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352247442 219380561 /nfs/dbraw/zinc/38/05/61/219380561.db2.gz YMXGUNMWCMLQOO-UHFFFAOYSA-N 2 1 271.430 2.109 20 0 CEADMP C[C@H]1CCC[C@@](CNC(=O)C[N@@H+](C)C2CCC2)([NH+](C)C)C1 ZINC000629951676 351549974 /nfs/dbraw/zinc/54/99/74/351549974.db2.gz YLEMPZPZYPWEQH-WMLDXEAASA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c[nH]c4nccnc34)C2)CC1 ZINC000291492286 198035706 /nfs/dbraw/zinc/03/57/06/198035706.db2.gz GRENOGPUUGBOEL-AWEZNQCLSA-N 2 1 299.422 2.122 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000291503099 198038579 /nfs/dbraw/zinc/03/85/79/198038579.db2.gz HXJOTLCJNLKVTB-CYBMUJFWSA-N 2 1 288.395 2.185 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](C)O)CC1)CC1CC1 ZINC000337177278 366054347 /nfs/dbraw/zinc/05/43/47/366054347.db2.gz JMUXFASMFCDGNR-CQSZACIVSA-N 2 1 268.445 2.201 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cn1 ZINC000131657823 366074362 /nfs/dbraw/zinc/07/43/62/366074362.db2.gz JKZQVNGQJOFANX-OAHLLOKOSA-N 2 1 285.347 2.139 20 0 CEADMP COc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cn1 ZINC000131657823 366074370 /nfs/dbraw/zinc/07/43/70/366074370.db2.gz JKZQVNGQJOFANX-OAHLLOKOSA-N 2 1 285.347 2.139 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000569117797 299181861 /nfs/dbraw/zinc/18/18/61/299181861.db2.gz QPUVYLVCOYXCQI-BZUAXINKSA-N 2 1 295.471 2.132 20 0 CEADMP COCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122021454 187010555 /nfs/dbraw/zinc/01/05/55/187010555.db2.gz POYSJPZVWHCYNU-CZUORRHYSA-N 2 1 262.397 2.405 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(CCOC)s2)C1 ZINC000631056982 351942199 /nfs/dbraw/zinc/94/21/99/351942199.db2.gz PVKJMIJAGIPZLW-ZDUSSCGKSA-N 2 1 297.468 2.154 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(CCOC)s2)C1 ZINC000631056982 351942204 /nfs/dbraw/zinc/94/22/04/351942204.db2.gz PVKJMIJAGIPZLW-ZDUSSCGKSA-N 2 1 297.468 2.154 20 0 CEADMP COc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000631150661 351988299 /nfs/dbraw/zinc/98/82/99/351988299.db2.gz BGGFCOBYZIQPFJ-GOOCMWNKSA-N 2 1 275.396 2.113 20 0 CEADMP COc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000631150661 351988300 /nfs/dbraw/zinc/98/83/00/351988300.db2.gz BGGFCOBYZIQPFJ-GOOCMWNKSA-N 2 1 275.396 2.113 20 0 CEADMP Cn1nc2c(c1C[NH2+]CCCC[N@@H+](C)C1CC1)CCCC2 ZINC000631154487 351989924 /nfs/dbraw/zinc/98/99/24/351989924.db2.gz BBODVPUBXDLVPH-UHFFFAOYSA-N 2 1 290.455 2.263 20 0 CEADMP Cc1ccc([C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)c(C)c1 ZINC000071148549 363109789 /nfs/dbraw/zinc/10/97/89/363109789.db2.gz CERCBCRBRWXJKB-MRXNPFEDSA-N 2 1 275.440 2.201 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000072858007 363171453 /nfs/dbraw/zinc/17/14/53/363171453.db2.gz YSIFPBFPIRPGGP-AWEZNQCLSA-N 2 1 299.418 2.302 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000072858007 363171454 /nfs/dbraw/zinc/17/14/54/363171454.db2.gz YSIFPBFPIRPGGP-AWEZNQCLSA-N 2 1 299.418 2.302 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000072858007 363171455 /nfs/dbraw/zinc/17/14/55/363171455.db2.gz YSIFPBFPIRPGGP-AWEZNQCLSA-N 2 1 299.418 2.302 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000072858007 363171456 /nfs/dbraw/zinc/17/14/56/363171456.db2.gz YSIFPBFPIRPGGP-AWEZNQCLSA-N 2 1 299.418 2.302 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2COC2)cc1 ZINC000528028542 539888381 /nfs/dbraw/zinc/88/83/81/539888381.db2.gz WXQGKGYERKZMBD-LBPRGKRZSA-N 2 1 271.364 2.478 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C)[C@H](F)C2)CC1 ZINC000669692078 539935812 /nfs/dbraw/zinc/93/58/12/539935812.db2.gz GFLWWKYNINPMOW-HZPDHXFCSA-N 2 1 285.451 2.082 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)C[C@H]2CCC[N@H+](C)C2)c1C ZINC000152346183 188011766 /nfs/dbraw/zinc/01/17/66/188011766.db2.gz PACQMFIDPXZZRI-HNNXBMFYSA-N 2 1 291.439 2.481 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)C[C@H]2CCC[N@@H+](C)C2)c1C ZINC000152346183 188011768 /nfs/dbraw/zinc/01/17/68/188011768.db2.gz PACQMFIDPXZZRI-HNNXBMFYSA-N 2 1 291.439 2.481 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccs1 ZINC000153752395 188101945 /nfs/dbraw/zinc/10/19/45/188101945.db2.gz PHJFYLOGDKOHBE-LBPRGKRZSA-N 2 1 256.415 2.367 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccsc2)CC1 ZINC000154394194 188139945 /nfs/dbraw/zinc/13/99/45/188139945.db2.gz VMDAJEGKRYFCSJ-CQSZACIVSA-N 2 1 268.426 2.246 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCN3CCc4ccccc43)CC[C@H]21 ZINC000292560054 198333211 /nfs/dbraw/zinc/33/32/11/198333211.db2.gz ROKUEDNHXKXGBM-QZTJIDSGSA-N 2 1 299.462 2.465 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCN3CCc4ccccc43)CC[C@H]21 ZINC000292560054 198333212 /nfs/dbraw/zinc/33/32/12/198333212.db2.gz ROKUEDNHXKXGBM-QZTJIDSGSA-N 2 1 299.462 2.465 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCN3CCc4ccccc43)CC[C@H]21 ZINC000292560054 198333213 /nfs/dbraw/zinc/33/32/13/198333213.db2.gz ROKUEDNHXKXGBM-QZTJIDSGSA-N 2 1 299.462 2.465 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(N)ccc32)CC[N@@H+]1C ZINC000252095607 539998444 /nfs/dbraw/zinc/99/84/44/539998444.db2.gz HTNYMQWADDRGQH-WPGHFRTFSA-N 2 1 259.397 2.328 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(N)ccc32)CC[N@H+]1C ZINC000252095607 539998446 /nfs/dbraw/zinc/99/84/46/539998446.db2.gz HTNYMQWADDRGQH-WPGHFRTFSA-N 2 1 259.397 2.328 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCn1cccn1 ZINC000158820492 188395167 /nfs/dbraw/zinc/39/51/67/188395167.db2.gz YEQHEZQXPVDMHN-ZIAGYGMSSA-N 2 1 275.400 2.093 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000495080219 291015765 /nfs/dbraw/zinc/01/57/65/291015765.db2.gz CEFBAQRIBAOXOZ-HUUCEWRRSA-N 2 1 295.471 2.001 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2C)C1(C)C ZINC000451485345 283006036 /nfs/dbraw/zinc/00/60/36/283006036.db2.gz CMEOCXLAJATBBD-UONOGXRCSA-N 2 1 265.401 2.375 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCOCC2)[C@@H]1c1ccccc1 ZINC000364303736 283042745 /nfs/dbraw/zinc/04/27/45/283042745.db2.gz OILVXCMUHXJODZ-RDJZCZTQSA-N 2 1 274.408 2.448 20 0 CEADMP CC[C@@H]1CCC[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000569867863 299223548 /nfs/dbraw/zinc/22/35/48/299223548.db2.gz PWLYYOPCYDCMKN-CABCVRRESA-N 2 1 268.445 2.392 20 0 CEADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000401132968 540078084 /nfs/dbraw/zinc/07/80/84/540078084.db2.gz UMHRWXKJNUKCRE-HUUCEWRRSA-N 2 1 261.413 2.313 20 0 CEADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000401132970 540078171 /nfs/dbraw/zinc/07/81/71/540078171.db2.gz UMHRWXKJNUKCRE-LSDHHAIUSA-N 2 1 261.413 2.313 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000257718199 540103134 /nfs/dbraw/zinc/10/31/34/540103134.db2.gz VEPSEBIGVKFGRH-MRXNPFEDSA-N 2 1 260.381 2.271 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000257718199 540103138 /nfs/dbraw/zinc/10/31/38/540103138.db2.gz VEPSEBIGVKFGRH-MRXNPFEDSA-N 2 1 260.381 2.271 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000569928373 299227029 /nfs/dbraw/zinc/22/70/29/299227029.db2.gz NNRIZIJNVVIQPP-IJLUTSLNSA-N 2 1 264.394 2.009 20 0 CEADMP C[N@H+]1CC=C(C[NH2+]Cc2ccn(-c3ccccc3)n2)CC1 ZINC000271834365 191355945 /nfs/dbraw/zinc/35/59/45/191355945.db2.gz PJWPVCLNVMYJLU-UHFFFAOYSA-N 2 1 282.391 2.224 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccn(-c3ccccc3)n2)CC1 ZINC000271834365 191355947 /nfs/dbraw/zinc/35/59/47/191355947.db2.gz PJWPVCLNVMYJLU-UHFFFAOYSA-N 2 1 282.391 2.224 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCO)c1ccccc1 ZINC000271813065 191342231 /nfs/dbraw/zinc/34/22/31/191342231.db2.gz UPCBHGBALHWJNS-CVEARBPZSA-N 2 1 262.397 2.184 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CCO)c1ccccc1 ZINC000271813068 191343086 /nfs/dbraw/zinc/34/30/86/191343086.db2.gz UPCBHGBALHWJNS-HOTGVXAUSA-N 2 1 262.397 2.184 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2c(c1)OCO2 ZINC000271894475 191395650 /nfs/dbraw/zinc/39/56/50/191395650.db2.gz SZRPUNOVQGOXBO-LBPRGKRZSA-N 2 1 274.364 2.328 20 0 CEADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000309861826 540160793 /nfs/dbraw/zinc/16/07/93/540160793.db2.gz DKVVFMFFXISORN-RFGFWPKPSA-N 2 1 299.459 2.218 20 0 CEADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000309861826 540160796 /nfs/dbraw/zinc/16/07/96/540160796.db2.gz DKVVFMFFXISORN-RFGFWPKPSA-N 2 1 299.459 2.218 20 0 CEADMP CC1(C)C[C@H](O)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000451808634 283111272 /nfs/dbraw/zinc/11/12/72/283111272.db2.gz JZXMUYJXYNCKNU-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000539066788 540198557 /nfs/dbraw/zinc/19/85/57/540198557.db2.gz QINUPMBAGQLXHL-CJNGLKHVSA-N 2 1 262.397 2.433 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1CCSC[C@@H]1c1ccccc1 ZINC000570055529 299234429 /nfs/dbraw/zinc/23/44/29/299234429.db2.gz YPSKIAUDWDNHIK-HZPDHXFCSA-N 2 1 294.464 2.089 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)[C@H]2CCC[C@@H]21 ZINC000353671028 283136440 /nfs/dbraw/zinc/13/64/40/283136440.db2.gz CBIJBAJGDCUABV-FZKCQIBNSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(C(C)C)CC1 ZINC000577505898 314385075 /nfs/dbraw/zinc/38/50/75/314385075.db2.gz MRFVWXAWIIYMSI-AWEZNQCLSA-N 2 1 256.434 2.057 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H]3CCCOC3)C2)[nH+]1 ZINC000674301556 540237205 /nfs/dbraw/zinc/23/72/05/540237205.db2.gz STNHDZNGRFMKAL-CABCVRRESA-N 2 1 275.396 2.303 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H]3CCCOC3)C2)[nH+]1 ZINC000674301556 540237210 /nfs/dbraw/zinc/23/72/10/540237210.db2.gz STNHDZNGRFMKAL-CABCVRRESA-N 2 1 275.396 2.303 20 0 CEADMP CCC[N@H+](CCC[NH3+])[C@H](C)C(=O)Nc1ccccc1C ZINC000414747760 540245818 /nfs/dbraw/zinc/24/58/18/540245818.db2.gz SRSHTGCNEUKDED-CQSZACIVSA-N 2 1 277.412 2.383 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@H](C)C(=O)Nc1ccccc1C ZINC000414747760 540245820 /nfs/dbraw/zinc/24/58/20/540245820.db2.gz SRSHTGCNEUKDED-CQSZACIVSA-N 2 1 277.412 2.383 20 0 CEADMP c1nc(C2CC2)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000414858502 540246854 /nfs/dbraw/zinc/24/68/54/540246854.db2.gz RULVQRWRYRXZST-SNVBAGLBSA-N 2 1 251.399 2.110 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000367599149 283172854 /nfs/dbraw/zinc/17/28/54/283172854.db2.gz GPYUQBBNYSKLGE-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367599149 283172856 /nfs/dbraw/zinc/17/28/56/283172856.db2.gz GPYUQBBNYSKLGE-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367599149 283172857 /nfs/dbraw/zinc/17/28/57/283172857.db2.gz GPYUQBBNYSKLGE-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CCCC[C@H]1CCC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338288661 366275168 /nfs/dbraw/zinc/27/51/68/366275168.db2.gz MERRHKVSJDXUOZ-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000575412047 366281419 /nfs/dbraw/zinc/28/14/19/366281419.db2.gz KMCCXJSVQSBUJL-GOSISDBHSA-N 2 1 290.451 2.313 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000575412047 366281421 /nfs/dbraw/zinc/28/14/21/366281421.db2.gz KMCCXJSVQSBUJL-GOSISDBHSA-N 2 1 290.451 2.313 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000575755343 366357450 /nfs/dbraw/zinc/35/74/50/366357450.db2.gz KWALHMOWDUNNIP-XUWVNRHRSA-N 2 1 266.429 2.002 20 0 CEADMP Cc1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1 ZINC000577662200 366379792 /nfs/dbraw/zinc/37/97/92/366379792.db2.gz QFKPEURAAZGDOZ-UHFFFAOYSA-N 2 1 277.456 2.310 20 0 CEADMP C[C@H](C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(C)(C)C ZINC000670267785 540261350 /nfs/dbraw/zinc/26/13/50/540261350.db2.gz UEYHWVYCXADWJG-HUUCEWRRSA-N 2 1 270.461 2.495 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](C)C2Cc3ccccc3C2)CC[NH2+]1 ZINC000334873958 291121292 /nfs/dbraw/zinc/12/12/92/291121292.db2.gz LSBIKQRGVXLENI-UONOGXRCSA-N 2 1 258.409 2.474 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccccc1 ZINC000388315787 540324214 /nfs/dbraw/zinc/32/42/14/540324214.db2.gz HTKHMLDJTJDOAX-JKSUJKDBSA-N 2 1 264.413 2.428 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000388315787 540324218 /nfs/dbraw/zinc/32/42/18/540324218.db2.gz HTKHMLDJTJDOAX-JKSUJKDBSA-N 2 1 264.413 2.428 20 0 CEADMP Cc1cnc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000294782546 199180954 /nfs/dbraw/zinc/18/09/54/199180954.db2.gz NWBRUWPCBCCHBD-SNVBAGLBSA-N 2 1 264.398 2.382 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3[nH]cnc3c2)C1 ZINC000577986478 366426478 /nfs/dbraw/zinc/42/64/78/366426478.db2.gz DLEFCHKWOUCWGM-RHSMWYFYSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3[nH]cnc3c2)C1 ZINC000577986478 366426481 /nfs/dbraw/zinc/42/64/81/366426481.db2.gz DLEFCHKWOUCWGM-RHSMWYFYSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3[nH]cnc3c2)C1 ZINC000577986478 366426484 /nfs/dbraw/zinc/42/64/84/366426484.db2.gz DLEFCHKWOUCWGM-RHSMWYFYSA-N 2 1 284.407 2.479 20 0 CEADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3nc[nH]c3c2)C1 ZINC000577986478 366426489 /nfs/dbraw/zinc/42/64/89/366426489.db2.gz DLEFCHKWOUCWGM-RHSMWYFYSA-N 2 1 284.407 2.479 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3nc[nH]c3c2)C1 ZINC000577986478 366426491 /nfs/dbraw/zinc/42/64/91/366426491.db2.gz DLEFCHKWOUCWGM-RHSMWYFYSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3nc[nH]c3c2)C1 ZINC000577986478 366426495 /nfs/dbraw/zinc/42/64/95/366426495.db2.gz DLEFCHKWOUCWGM-RHSMWYFYSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3nc[nH]c3c2)C1 ZINC000577986478 366426498 /nfs/dbraw/zinc/42/64/98/366426498.db2.gz DLEFCHKWOUCWGM-RHSMWYFYSA-N 2 1 284.407 2.479 20 0 CEADMP Fc1ccccc1-c1n[nH]cc1C[NH2+]CCC[NH+]1CCC1 ZINC000570864457 299282603 /nfs/dbraw/zinc/28/26/03/299282603.db2.gz WOMBQXZMLNEKHM-UHFFFAOYSA-N 2 1 288.370 2.401 20 0 CEADMP Cc1[nH+]ccc(NCC[N@H+]2CC=CCC2)c1Cl ZINC000338710400 366483016 /nfs/dbraw/zinc/48/30/16/366483016.db2.gz HFBZSGAIFKLKFN-UHFFFAOYSA-N 2 1 251.761 2.139 20 0 CEADMP Cc1[nH+]ccc(NCC[N@@H+]2CC=CCC2)c1Cl ZINC000338710400 366483023 /nfs/dbraw/zinc/48/30/23/366483023.db2.gz HFBZSGAIFKLKFN-UHFFFAOYSA-N 2 1 251.761 2.139 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000338768785 366513592 /nfs/dbraw/zinc/51/35/92/366513592.db2.gz WYTWVEFVFVKQPA-MRXNPFEDSA-N 2 1 291.439 2.136 20 0 CEADMP CC[N@H+](CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000338768785 366513597 /nfs/dbraw/zinc/51/35/97/366513597.db2.gz WYTWVEFVFVKQPA-MRXNPFEDSA-N 2 1 291.439 2.136 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000338768785 366513604 /nfs/dbraw/zinc/51/36/04/366513604.db2.gz WYTWVEFVFVKQPA-MRXNPFEDSA-N 2 1 291.439 2.136 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000338771160 366515629 /nfs/dbraw/zinc/51/56/29/366515629.db2.gz FSTMUVANAGUGQD-HUUCEWRRSA-N 2 1 298.471 2.281 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC000136278989 366506764 /nfs/dbraw/zinc/50/67/64/366506764.db2.gz MMCFBJNRHGXPJZ-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP COC(=O)c1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000136309413 366509616 /nfs/dbraw/zinc/50/96/16/366509616.db2.gz DQUJVKFFWSCRSL-UHFFFAOYSA-N 2 1 291.351 2.093 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000136309413 366509618 /nfs/dbraw/zinc/50/96/18/366509618.db2.gz DQUJVKFFWSCRSL-UHFFFAOYSA-N 2 1 291.351 2.093 20 0 CEADMP CCC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000310946913 540450250 /nfs/dbraw/zinc/45/02/50/540450250.db2.gz XYHSTNBLSSGNKI-HUUCEWRRSA-N 2 1 256.434 2.342 20 0 CEADMP CCC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000310946913 540450253 /nfs/dbraw/zinc/45/02/53/540450253.db2.gz XYHSTNBLSSGNKI-HUUCEWRRSA-N 2 1 256.434 2.342 20 0 CEADMP CCC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000310946913 540450254 /nfs/dbraw/zinc/45/02/54/540450254.db2.gz XYHSTNBLSSGNKI-HUUCEWRRSA-N 2 1 256.434 2.342 20 0 CEADMP CC(C)[C@@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)CC[N@H+]1C ZINC000668057084 540561803 /nfs/dbraw/zinc/56/18/03/540561803.db2.gz CKHBACKYHJAQSI-KRWDZBQOSA-N 2 1 299.422 2.039 20 0 CEADMP CCCn1nccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322615570 540558799 /nfs/dbraw/zinc/55/87/99/540558799.db2.gz PXPXZPXIJQYLAD-AGUYFDCRSA-N 2 1 262.401 2.008 20 0 CEADMP O[C@@H](CCc1ccccc1)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297594559 200237638 /nfs/dbraw/zinc/23/76/38/200237638.db2.gz JNOOKRREBMDXJW-SFHVURJKSA-N 2 1 288.435 2.197 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)NCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000081257918 363707446 /nfs/dbraw/zinc/70/74/46/363707446.db2.gz ZELBWLJWYIHJQU-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cnn(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000341913304 216150934 /nfs/dbraw/zinc/15/09/34/216150934.db2.gz RQMWFINYFIOHJH-RDJZCZTQSA-N 2 1 288.439 2.140 20 0 CEADMP Cc1cnn(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000341913304 216150935 /nfs/dbraw/zinc/15/09/35/216150935.db2.gz RQMWFINYFIOHJH-RDJZCZTQSA-N 2 1 288.439 2.140 20 0 CEADMP Cc1cnn(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000341913304 216150937 /nfs/dbraw/zinc/15/09/37/216150937.db2.gz RQMWFINYFIOHJH-RDJZCZTQSA-N 2 1 288.439 2.140 20 0 CEADMP Cc1cnn(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000341913304 216150939 /nfs/dbraw/zinc/15/09/39/216150939.db2.gz RQMWFINYFIOHJH-RDJZCZTQSA-N 2 1 288.439 2.140 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000081578952 363731654 /nfs/dbraw/zinc/73/16/54/363731654.db2.gz ALCHJCCLGHUKJG-MRXNPFEDSA-N 2 1 267.461 2.136 20 0 CEADMP C[C@@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000674289929 540741313 /nfs/dbraw/zinc/74/13/13/540741313.db2.gz WMGRXDGDZWHTFR-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1O ZINC000178409385 189113764 /nfs/dbraw/zinc/11/37/64/189113764.db2.gz OHTXEEQTVAWQLI-YRGRVCCFSA-N 2 1 278.396 2.219 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1O ZINC000178409385 189113765 /nfs/dbraw/zinc/11/37/65/189113765.db2.gz OHTXEEQTVAWQLI-YRGRVCCFSA-N 2 1 278.396 2.219 20 0 CEADMP C[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000674882689 540793258 /nfs/dbraw/zinc/79/32/58/540793258.db2.gz WMDFWUSVIBJFSP-KBMXLJTQSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000674882690 540793277 /nfs/dbraw/zinc/79/32/77/540793277.db2.gz WMDFWUSVIBJFSP-VNQPRFMTSA-N 2 1 266.429 2.408 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178705530 189138825 /nfs/dbraw/zinc/13/88/25/189138825.db2.gz PCXBMKUQOBVWAJ-KGLIPLIRSA-N 2 1 294.443 2.064 20 0 CEADMP C[C@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000675749113 540870776 /nfs/dbraw/zinc/87/07/76/540870776.db2.gz QTRZUWYKSJPZHM-ZNMIVQPWSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000675749113 540870780 /nfs/dbraw/zinc/87/07/80/540870780.db2.gz QTRZUWYKSJPZHM-ZNMIVQPWSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675770155 540872706 /nfs/dbraw/zinc/87/27/06/540872706.db2.gz WSSPECWCBTUVMM-PMPSAXMXSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675770155 540872707 /nfs/dbraw/zinc/87/27/07/540872707.db2.gz WSSPECWCBTUVMM-PMPSAXMXSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000675724555 540868518 /nfs/dbraw/zinc/86/85/18/540868518.db2.gz VQJDZHDKCPMOAP-NJAFHUGGSA-N 2 1 289.467 2.232 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000179596243 189205708 /nfs/dbraw/zinc/20/57/08/189205708.db2.gz COVVDLRZNBJWGK-BXUZGUMPSA-N 2 1 266.360 2.407 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000179596243 189205709 /nfs/dbraw/zinc/20/57/09/189205709.db2.gz COVVDLRZNBJWGK-BXUZGUMPSA-N 2 1 266.360 2.407 20 0 CEADMP C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180454629 189256693 /nfs/dbraw/zinc/25/66/93/189256693.db2.gz CWMUYFXYLNRAQZ-HZTRTUMWSA-N 2 1 274.408 2.152 20 0 CEADMP CC[C@@H](COC)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152890890 366719912 /nfs/dbraw/zinc/71/99/12/366719912.db2.gz UKBNACDDSDIOCD-INIZCTEOSA-N 2 1 291.439 2.103 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181405744 189296032 /nfs/dbraw/zinc/29/60/32/189296032.db2.gz UEMOKCNYSTUGCZ-FVQBIDKESA-N 2 1 262.397 2.101 20 0 CEADMP C[C@H](CCN1CCOCC1)[NH2+]Cc1cccc([O-])c1Cl ZINC000339272875 366696431 /nfs/dbraw/zinc/69/64/31/366696431.db2.gz PUPOELALGJUYKC-GFCCVEGCSA-N 2 1 298.814 2.246 20 0 CEADMP CCCC[C@H](COC)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152445907 366696653 /nfs/dbraw/zinc/69/66/53/366696653.db2.gz ZZLSWZAIOFFTJL-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1)C(C)C ZINC000236993359 370674119 /nfs/dbraw/zinc/67/41/19/370674119.db2.gz ZXOHXXSZAWKGSF-MRXNPFEDSA-N 2 1 289.423 2.090 20 0 CEADMP CCN(C(=O)[C@@H](C)[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000237034494 370682192 /nfs/dbraw/zinc/68/21/92/370682192.db2.gz WEQPAGPCIQENBD-IJEWVQPXSA-N 2 1 289.423 2.018 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000580276638 366772886 /nfs/dbraw/zinc/77/28/86/366772886.db2.gz VJLJOVOWUISLJN-INIZCTEOSA-N 2 1 270.380 2.466 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000580276638 366772893 /nfs/dbraw/zinc/77/28/93/366772893.db2.gz VJLJOVOWUISLJN-INIZCTEOSA-N 2 1 270.380 2.466 20 0 CEADMP CN(Cc1nccn1C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000581541126 366790986 /nfs/dbraw/zinc/79/09/86/366790986.db2.gz AYWYXCRARBDNCP-UHFFFAOYSA-N 2 1 292.427 2.033 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)C(F)(F)F)C1 ZINC000581721455 366815130 /nfs/dbraw/zinc/81/51/30/366815130.db2.gz WQZQNFBBAMGDQW-RYUDHWBXSA-N 2 1 282.350 2.011 20 0 CEADMP CCCC[NH+]1CCC(Nc2nc(N(C)C)cc[nH+]2)CC1 ZINC000301736248 201166014 /nfs/dbraw/zinc/16/60/14/201166014.db2.gz REJZYVPGXKUUKW-UHFFFAOYSA-N 2 1 277.416 2.219 20 0 CEADMP Oc1cc(F)cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000184139636 189377621 /nfs/dbraw/zinc/37/76/21/189377621.db2.gz LZCPYGYOULQSKW-LLVKDONJSA-N 2 1 264.344 2.105 20 0 CEADMP Oc1cc(F)cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000184139636 189377622 /nfs/dbraw/zinc/37/76/22/189377622.db2.gz LZCPYGYOULQSKW-LLVKDONJSA-N 2 1 264.344 2.105 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000019943030 361568823 /nfs/dbraw/zinc/56/88/23/361568823.db2.gz WXKFNAVICYRLQN-UHFFFAOYSA-N 2 1 278.396 2.295 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC[NH2+]C3CC3)c2C1 ZINC000581834693 366827192 /nfs/dbraw/zinc/82/71/92/366827192.db2.gz XEWGEVHPSFKHNX-UHFFFAOYSA-N 2 1 287.407 2.493 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)CC[NH2+]C3CC3)c2C1 ZINC000581834693 366827198 /nfs/dbraw/zinc/82/71/98/366827198.db2.gz XEWGEVHPSFKHNX-UHFFFAOYSA-N 2 1 287.407 2.493 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CCCCO ZINC000679344243 541260550 /nfs/dbraw/zinc/26/05/50/541260550.db2.gz OOGRDFHAQQDBDQ-ZDUSSCGKSA-N 2 1 253.390 2.112 20 0 CEADMP C[C@H](CCCCO)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000679335664 541258715 /nfs/dbraw/zinc/25/87/15/541258715.db2.gz PQLZSQRNIBGRQA-CQSZACIVSA-N 2 1 256.434 2.392 20 0 CEADMP C[C@H](CCCCO)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000679335664 541258719 /nfs/dbraw/zinc/25/87/19/541258719.db2.gz PQLZSQRNIBGRQA-CQSZACIVSA-N 2 1 256.434 2.392 20 0 CEADMP CC(C)n1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000085160591 363831247 /nfs/dbraw/zinc/83/12/47/363831247.db2.gz NWPULAXRLBUKQW-GFCCVEGCSA-N 2 1 250.390 2.023 20 0 CEADMP C[C@H](CCCCO)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000679331854 541256396 /nfs/dbraw/zinc/25/63/96/541256396.db2.gz BWTDITMOHQCVRO-RBSFLKMASA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H](CCCCO)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000679331854 541256399 /nfs/dbraw/zinc/25/63/99/541256399.db2.gz BWTDITMOHQCVRO-RBSFLKMASA-N 2 1 256.434 2.248 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000088102726 363877282 /nfs/dbraw/zinc/87/72/82/363877282.db2.gz CZNHSJIBZSHKPS-HNNXBMFYSA-N 2 1 274.408 2.095 20 0 CEADMP COCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000088567813 363908248 /nfs/dbraw/zinc/90/82/48/363908248.db2.gz AQVTZILWXHNRMM-INIZCTEOSA-N 2 1 274.408 2.407 20 0 CEADMP C[NH+](C)[C@H](C[NH2+]C1CCN(c2nccs2)CC1)C1CC1 ZINC000679729849 541314319 /nfs/dbraw/zinc/31/43/19/541314319.db2.gz OZEXSNHFTXAWSK-CQSZACIVSA-N 2 1 294.468 2.042 20 0 CEADMP C1C(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1[NH+]1CCCCC1 ZINC000334613329 364083153 /nfs/dbraw/zinc/08/31/53/364083153.db2.gz OJVYMQZHEBBGSO-GYXIZQIFSA-N 2 1 277.456 2.220 20 0 CEADMP C1C(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1[NH+]1CCCCC1 ZINC000334613338 364083336 /nfs/dbraw/zinc/08/33/36/364083336.db2.gz OJVYMQZHEBBGSO-SOEBMCCKSA-N 2 1 277.456 2.220 20 0 CEADMP COc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1OC ZINC000093088991 364139848 /nfs/dbraw/zinc/13/98/48/364139848.db2.gz OFZPSFJPSLZRLB-UHFFFAOYSA-N 2 1 292.423 2.477 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ncccc1C ZINC000093203991 364151281 /nfs/dbraw/zinc/15/12/81/364151281.db2.gz BSBUAAJZTVHLTD-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ncccc1C ZINC000093203991 364151288 /nfs/dbraw/zinc/15/12/88/364151288.db2.gz BSBUAAJZTVHLTD-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP CCOC1CC(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)C1 ZINC000638724985 370711745 /nfs/dbraw/zinc/71/17/45/370711745.db2.gz DMKSZZHTLNGQNQ-UHFFFAOYSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2([NH3+])CC2)cc1 ZINC000237526365 370729977 /nfs/dbraw/zinc/72/99/77/370729977.db2.gz CIRRWZUZTMFQLE-ZDUSSCGKSA-N 2 1 287.407 2.491 20 0 CEADMP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000093489626 364192469 /nfs/dbraw/zinc/19/24/69/364192469.db2.gz DHKJSFHQMAHCIO-OWLYRPNTSA-N 3 1 291.483 2.371 20 0 CEADMP C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000093489626 364192476 /nfs/dbraw/zinc/19/24/76/364192476.db2.gz DHKJSFHQMAHCIO-OWLYRPNTSA-N 2 1 291.483 2.371 20 0 CEADMP C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000093489626 364192482 /nfs/dbraw/zinc/19/24/82/364192482.db2.gz DHKJSFHQMAHCIO-OWLYRPNTSA-N 2 1 291.483 2.371 20 0 CEADMP Cn1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683547 364213793 /nfs/dbraw/zinc/21/37/93/364213793.db2.gz FPIWFCZQXOZECV-MRXNPFEDSA-N 2 1 261.413 2.333 20 0 CEADMP Cn1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683547 364213798 /nfs/dbraw/zinc/21/37/98/364213798.db2.gz FPIWFCZQXOZECV-MRXNPFEDSA-N 2 1 261.413 2.333 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638798146 370758504 /nfs/dbraw/zinc/75/85/04/370758504.db2.gz BSXUKAFNUAOSEK-FRFSOERESA-N 2 1 274.408 2.325 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638798146 370758511 /nfs/dbraw/zinc/75/85/11/370758511.db2.gz BSXUKAFNUAOSEK-FRFSOERESA-N 2 1 274.408 2.325 20 0 CEADMP COc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])c(OC)c1OC ZINC000093861133 364235092 /nfs/dbraw/zinc/23/50/92/364235092.db2.gz JTJGLMJWDIOLAR-UHFFFAOYSA-N 2 1 296.411 2.129 20 0 CEADMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])c(OC)c1OC ZINC000093861133 364235098 /nfs/dbraw/zinc/23/50/98/364235098.db2.gz JTJGLMJWDIOLAR-UHFFFAOYSA-N 2 1 296.411 2.129 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)n21 ZINC000336362164 213213076 /nfs/dbraw/zinc/21/30/76/213213076.db2.gz RZZFGZTWGBNGSF-UONOGXRCSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)n21 ZINC000336362164 213213078 /nfs/dbraw/zinc/21/30/78/213213078.db2.gz RZZFGZTWGBNGSF-UONOGXRCSA-N 2 1 272.396 2.215 20 0 CEADMP CC[N@H+](Cc1ccc2c(c1)OCO2)CC1CC[NH2+]CC1 ZINC000094011249 364246418 /nfs/dbraw/zinc/24/64/18/364246418.db2.gz NEVZZCGDKUZYJD-UHFFFAOYSA-N 2 1 276.380 2.237 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638815536 370770865 /nfs/dbraw/zinc/77/08/65/370770865.db2.gz IXSDJHFUXALNAU-ZIAGYGMSSA-N 2 1 292.427 2.127 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000356613685 370774500 /nfs/dbraw/zinc/77/45/00/370774500.db2.gz GJKMSXCTZLQOKW-JJXSEGSLSA-N 2 1 297.487 2.484 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094367427 364270454 /nfs/dbraw/zinc/27/04/54/364270454.db2.gz AUCKNGUNIWFVNQ-AWEZNQCLSA-N 2 1 284.469 2.115 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)cc2)C1 ZINC000093770558 364223703 /nfs/dbraw/zinc/22/37/03/364223703.db2.gz YXMDEZBZVXDRFF-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)cc2)C1 ZINC000093770558 364223710 /nfs/dbraw/zinc/22/37/10/364223710.db2.gz YXMDEZBZVXDRFF-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000093770558 364223713 /nfs/dbraw/zinc/22/37/13/364223713.db2.gz YXMDEZBZVXDRFF-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000093770558 364223719 /nfs/dbraw/zinc/22/37/19/364223719.db2.gz YXMDEZBZVXDRFF-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334993264 364322036 /nfs/dbraw/zinc/32/20/36/364322036.db2.gz OCHZLBVAVPWLTM-GOSISDBHSA-N 2 1 298.434 2.191 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nc1 ZINC000334866583 364279266 /nfs/dbraw/zinc/27/92/66/364279266.db2.gz BIUPGHFXCKLIEU-GOEBONIOSA-N 2 1 259.397 2.354 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000335035236 364383525 /nfs/dbraw/zinc/38/35/25/364383525.db2.gz SGSUYRLCHACDGS-JKSUJKDBSA-N 2 1 260.381 2.466 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493893283 541353620 /nfs/dbraw/zinc/35/36/20/541353620.db2.gz DUVVHLBUAHPEFT-KBUPBQIOSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000335040098 364389178 /nfs/dbraw/zinc/38/91/78/364389178.db2.gz OLMWGCZUWKHHIC-YGRLFVJLSA-N 2 1 254.324 2.443 20 0 CEADMP c1nc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cs1 ZINC000340293403 366839155 /nfs/dbraw/zinc/83/91/55/366839155.db2.gz XIJQIKPSOZQQRC-ZDUSSCGKSA-N 2 1 265.426 2.103 20 0 CEADMP c1nc(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cs1 ZINC000340293403 366839160 /nfs/dbraw/zinc/83/91/60/366839160.db2.gz XIJQIKPSOZQQRC-ZDUSSCGKSA-N 2 1 265.426 2.103 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@@H+]1C ZINC000156216356 366828916 /nfs/dbraw/zinc/82/89/16/366828916.db2.gz YSKOYGLKCLLEHS-YPMHNXCESA-N 2 1 293.377 2.085 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@H+]1C ZINC000156216356 366828921 /nfs/dbraw/zinc/82/89/21/366828921.db2.gz YSKOYGLKCLLEHS-YPMHNXCESA-N 2 1 293.377 2.085 20 0 CEADMP CC1CC[NH+](CCN2CCC3(CCC[N@H+]3C)CC2)CC1 ZINC000335672777 212392609 /nfs/dbraw/zinc/39/26/09/212392609.db2.gz RMBBOBYEQCGTMJ-UHFFFAOYSA-N 2 1 279.472 2.279 20 0 CEADMP COc1ccnc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000158962596 366864149 /nfs/dbraw/zinc/86/41/49/366864149.db2.gz FQICVXBXJPSLIG-BBRMVZONSA-N 2 1 275.396 2.006 20 0 CEADMP Cn1cccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000335144478 364537112 /nfs/dbraw/zinc/53/71/12/364537112.db2.gz GVQWWBZXMCDPNN-HNNXBMFYSA-N 2 1 261.413 2.189 20 0 CEADMP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000582066334 366858288 /nfs/dbraw/zinc/85/82/88/366858288.db2.gz YGQXDLLXIKAPOH-JYJNAYRXSA-N 2 1 277.412 2.207 20 0 CEADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000582073178 366859156 /nfs/dbraw/zinc/85/91/56/366859156.db2.gz VYHVATCPJXAOOG-CHWSQXEVSA-N 2 1 262.401 2.168 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000335220557 364645255 /nfs/dbraw/zinc/64/52/55/364645255.db2.gz VHSGLJWXQARXEK-QMTHXVAHSA-N 2 1 254.324 2.443 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2c1 ZINC000335634526 212348210 /nfs/dbraw/zinc/34/82/10/212348210.db2.gz PGXOLXGKRHLRNU-JKSUJKDBSA-N 2 1 298.434 2.464 20 0 CEADMP Cc1cnccc1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000335464932 364770177 /nfs/dbraw/zinc/77/01/77/364770177.db2.gz XUUUGHJLMHFUOL-IAGOWNOFSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1cnccc1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000335464932 364770183 /nfs/dbraw/zinc/77/01/83/364770183.db2.gz XUUUGHJLMHFUOL-IAGOWNOFSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1cnccc1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000335464932 364770192 /nfs/dbraw/zinc/77/01/92/364770192.db2.gz XUUUGHJLMHFUOL-IAGOWNOFSA-N 2 1 273.424 2.349 20 0 CEADMP CCCC[N@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000112309892 364789919 /nfs/dbraw/zinc/78/99/19/364789919.db2.gz JYYVSQIJRIVYEM-INIZCTEOSA-N 2 1 291.439 2.137 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000112309892 364789924 /nfs/dbraw/zinc/78/99/24/364789924.db2.gz JYYVSQIJRIVYEM-INIZCTEOSA-N 2 1 291.439 2.137 20 0 CEADMP c1cc2c(cccc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH]1 ZINC000112839242 364848937 /nfs/dbraw/zinc/84/89/37/364848937.db2.gz ATDNBUMJAUMUPJ-HUUCEWRRSA-N 2 1 285.391 2.121 20 0 CEADMP c1cc2c(cccc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[nH]1 ZINC000112839242 364848940 /nfs/dbraw/zinc/84/89/40/364848940.db2.gz ATDNBUMJAUMUPJ-HUUCEWRRSA-N 2 1 285.391 2.121 20 0 CEADMP c1[nH]nc2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)ccc12 ZINC000335631337 212345740 /nfs/dbraw/zinc/34/57/40/212345740.db2.gz AVVPHGZIMXPQHO-ZBFHGGJFSA-N 2 1 284.407 2.384 20 0 CEADMP Cc1ccn2c(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)cnc2c1 ZINC000335735955 364906635 /nfs/dbraw/zinc/90/66/35/364906635.db2.gz YDHNPSKYDOYJDN-CQSZACIVSA-N 2 1 272.396 2.217 20 0 CEADMP Cc1ccn2c(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)cnc2c1 ZINC000335735955 364906642 /nfs/dbraw/zinc/90/66/42/364906642.db2.gz YDHNPSKYDOYJDN-CQSZACIVSA-N 2 1 272.396 2.217 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000680342354 541394936 /nfs/dbraw/zinc/39/49/36/541394936.db2.gz QEQPYKVLPXRUFZ-GDBMZVCRSA-N 2 1 284.444 2.033 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H](C[NH+](C)C)C2)c1C ZINC000113515685 364904165 /nfs/dbraw/zinc/90/41/65/364904165.db2.gz NWASWGKSXSPBPU-AWEZNQCLSA-N 2 1 277.412 2.091 20 0 CEADMP C[C@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000335780420 364973062 /nfs/dbraw/zinc/97/30/62/364973062.db2.gz NLLBZQANMIHHTD-WCQYABFASA-N 2 1 290.436 2.318 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000335780420 364973072 /nfs/dbraw/zinc/97/30/72/364973072.db2.gz NLLBZQANMIHHTD-WCQYABFASA-N 2 1 290.436 2.318 20 0 CEADMP CCCn1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cn1 ZINC000116914111 365080319 /nfs/dbraw/zinc/08/03/19/365080319.db2.gz OJPJWAFTDOEYLV-CQSZACIVSA-N 2 1 264.417 2.115 20 0 CEADMP C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000118841953 365181686 /nfs/dbraw/zinc/18/16/86/365181686.db2.gz ZYLOWVXLBDIIIX-GFCCVEGCSA-N 2 1 282.350 2.229 20 0 CEADMP C[NH+](CCCOCC(F)(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841953 365181689 /nfs/dbraw/zinc/18/16/89/365181689.db2.gz ZYLOWVXLBDIIIX-GFCCVEGCSA-N 2 1 282.350 2.229 20 0 CEADMP C[NH+](CCCOCC(F)(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841953 365181691 /nfs/dbraw/zinc/18/16/91/365181691.db2.gz ZYLOWVXLBDIIIX-GFCCVEGCSA-N 2 1 282.350 2.229 20 0 CEADMP COCCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000357000931 370802922 /nfs/dbraw/zinc/80/29/22/370802922.db2.gz XAFXCRBPLXDPKS-UHFFFAOYSA-N 2 1 266.429 2.410 20 0 CEADMP CCOC(=O)CC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000119068691 365209839 /nfs/dbraw/zinc/20/98/39/365209839.db2.gz PVLVNTSHMAOPML-OAHLLOKOSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccn1 ZINC000159012404 366869201 /nfs/dbraw/zinc/86/92/01/366869201.db2.gz IUGGRRLQIMJLLQ-HNNXBMFYSA-N 2 1 290.455 2.006 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N(C)C)c2)CC[N@H+]1C ZINC000119844398 365333475 /nfs/dbraw/zinc/33/34/75/365333475.db2.gz WKNSAOGPPSNGSK-ZFWWWQNUSA-N 2 1 261.413 2.325 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC[N@@H+]1C ZINC000336088520 365391940 /nfs/dbraw/zinc/39/19/40/365391940.db2.gz HAAVYBQVYPCASI-QCXCNERSSA-N 2 1 294.361 2.295 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC[N@H+]1C ZINC000336088520 365391945 /nfs/dbraw/zinc/39/19/45/365391945.db2.gz HAAVYBQVYPCASI-QCXCNERSSA-N 2 1 294.361 2.295 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000340485084 366904755 /nfs/dbraw/zinc/90/47/55/366904755.db2.gz QNYNRYGVROXXTK-VNQPRFMTSA-N 2 1 268.445 2.105 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)C2CCCCC2)CC[N@H+]1C ZINC000340489522 366906417 /nfs/dbraw/zinc/90/64/17/366906417.db2.gz XLYBRZOGDIQDCR-KBMXLJTQSA-N 2 1 268.445 2.248 20 0 CEADMP C[NH+](C)CCC1CC[NH+](Cc2cscn2)CC1 ZINC000340636092 366965011 /nfs/dbraw/zinc/96/50/11/366965011.db2.gz KYYNOXLVHBRNJC-UHFFFAOYSA-N 2 1 253.415 2.307 20 0 CEADMP COCC[N@H+](C)CC[C@@H]([NH2+]CC(C)(C)O)c1ccccc1 ZINC000583079434 366997549 /nfs/dbraw/zinc/99/75/49/366997549.db2.gz UGVRFFOCGCJSNJ-MRXNPFEDSA-N 2 1 294.439 2.057 20 0 CEADMP COCC[N@@H+](C)CC[C@@H]([NH2+]CC(C)(C)O)c1ccccc1 ZINC000583079434 366997554 /nfs/dbraw/zinc/99/75/54/366997554.db2.gz UGVRFFOCGCJSNJ-MRXNPFEDSA-N 2 1 294.439 2.057 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC000340699830 366994841 /nfs/dbraw/zinc/99/48/41/366994841.db2.gz WCTAZGPFFVLGQQ-GOSISDBHSA-N 2 1 286.419 2.240 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1CC(c2ccccc2)(C(C)C)C1 ZINC000583510427 367060386 /nfs/dbraw/zinc/06/03/86/367060386.db2.gz RHMMYUVDYOFJFY-QGZVFWFLSA-N 2 1 290.451 2.209 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)C[NH2+]CC2 ZINC000584058285 367136051 /nfs/dbraw/zinc/13/60/51/367136051.db2.gz PICDVGLFKBEBBE-ZWKOTPCHSA-N 3 1 299.462 2.154 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H]1CCCC[C@@H]1C ZINC000584060787 367136167 /nfs/dbraw/zinc/13/61/67/367136167.db2.gz BCFSGRSHWNATOK-SOUVJXGZSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H]1CCCC[C@@H]1C ZINC000584060787 367136173 /nfs/dbraw/zinc/13/61/73/367136173.db2.gz BCFSGRSHWNATOK-SOUVJXGZSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@@H]1CCCC[C@@H]1C ZINC000584060787 367136177 /nfs/dbraw/zinc/13/61/77/367136177.db2.gz BCFSGRSHWNATOK-SOUVJXGZSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@@H]1CCCC[C@@H]1C ZINC000584060787 367136183 /nfs/dbraw/zinc/13/61/83/367136183.db2.gz BCFSGRSHWNATOK-SOUVJXGZSA-N 2 1 256.434 2.200 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCCCC(F)(F)F)CC12CCOCC2 ZINC000583694297 367084476 /nfs/dbraw/zinc/08/44/76/367084476.db2.gz PFSCOQBAWPPVJJ-GFCCVEGCSA-N 2 1 294.361 2.406 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccncc2C)C1 ZINC000583733469 367088177 /nfs/dbraw/zinc/08/81/77/367088177.db2.gz DNOLYGHBIOPCQB-QGZVFWFLSA-N 2 1 291.439 2.323 20 0 CEADMP CC[NH+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000357457829 370819063 /nfs/dbraw/zinc/81/90/63/370819063.db2.gz PQLPTXAJWJCCJR-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357846711 370830661 /nfs/dbraw/zinc/83/06/61/370830661.db2.gz IFGHAVGMBLDYDC-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357846711 370830665 /nfs/dbraw/zinc/83/06/65/370830665.db2.gz IFGHAVGMBLDYDC-LSDHHAIUSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357846711 370830669 /nfs/dbraw/zinc/83/06/69/370830669.db2.gz IFGHAVGMBLDYDC-LSDHHAIUSA-N 3 1 267.461 2.038 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(-c3ccncc3)c2)CCCO1 ZINC000584517539 367167535 /nfs/dbraw/zinc/16/75/35/367167535.db2.gz RCKWVHKBSQRUPW-GOSISDBHSA-N 2 1 297.402 2.298 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccccc3F)CC[C@@H]21 ZINC000162813029 367192660 /nfs/dbraw/zinc/19/26/60/367192660.db2.gz AFWFRFVOXFQUIS-COXVUDFISA-N 2 1 292.398 2.275 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccccc3F)CC[C@@H]21 ZINC000162813029 367192666 /nfs/dbraw/zinc/19/26/66/367192666.db2.gz AFWFRFVOXFQUIS-COXVUDFISA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccccc3F)CC[C@@H]21 ZINC000162813029 367192672 /nfs/dbraw/zinc/19/26/72/367192672.db2.gz AFWFRFVOXFQUIS-COXVUDFISA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3F)CC[C@@H]21 ZINC000162813029 367192677 /nfs/dbraw/zinc/19/26/77/367192677.db2.gz AFWFRFVOXFQUIS-COXVUDFISA-N 2 1 292.398 2.275 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)Nc1cc(C)nc(CC)n1 ZINC000341140203 367192647 /nfs/dbraw/zinc/19/26/47/367192647.db2.gz NQPFMKUBEOXUIZ-ZDUSSCGKSA-N 2 1 264.417 2.302 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)Nc1cc(C)[nH+]c(CC)n1 ZINC000341140203 367192651 /nfs/dbraw/zinc/19/26/51/367192651.db2.gz NQPFMKUBEOXUIZ-ZDUSSCGKSA-N 2 1 264.417 2.302 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)Nc1cc(C)[nH+]c(CC)n1 ZINC000341140203 367192658 /nfs/dbraw/zinc/19/26/58/367192658.db2.gz NQPFMKUBEOXUIZ-ZDUSSCGKSA-N 2 1 264.417 2.302 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)[C@H]2CCCN(C(C)C)C2=O)[C@@H](C)C1 ZINC000245586817 370844280 /nfs/dbraw/zinc/84/42/80/370844280.db2.gz FCUQDKRJMIHLAQ-JYJNAYRXSA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)[C@H]2CCCN(C(C)C)C2=O)[C@@H](C)C1 ZINC000245586817 370844285 /nfs/dbraw/zinc/84/42/85/370844285.db2.gz FCUQDKRJMIHLAQ-JYJNAYRXSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)[C@H]2CCCN(C(C)C)C2=O)[C@@H](C)C1 ZINC000245586817 370844289 /nfs/dbraw/zinc/84/42/89/370844289.db2.gz FCUQDKRJMIHLAQ-JYJNAYRXSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@H]2CCCN(C(C)C)C2=O)[C@@H](C)C1 ZINC000245586817 370844293 /nfs/dbraw/zinc/84/42/93/370844293.db2.gz FCUQDKRJMIHLAQ-JYJNAYRXSA-N 2 1 295.471 2.048 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163899421 367271270 /nfs/dbraw/zinc/27/12/70/367271270.db2.gz FJCAQZLHTKFXKQ-UONOGXRCSA-N 2 1 270.417 2.027 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000163240540 367226339 /nfs/dbraw/zinc/22/63/39/367226339.db2.gz JFOZRQXBFSZDFL-NEPJUHHUSA-N 2 1 268.788 2.388 20 0 CEADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1cnn(C)c1 ZINC000164590746 367290811 /nfs/dbraw/zinc/29/08/11/367290811.db2.gz FLDBCBLDNDRKIL-OAHLLOKOSA-N 2 1 275.400 2.446 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000165286218 367305337 /nfs/dbraw/zinc/30/53/37/367305337.db2.gz DJTUZZAZNUOAOB-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000165286218 367305344 /nfs/dbraw/zinc/30/53/44/367305344.db2.gz DJTUZZAZNUOAOB-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000165286218 367305354 /nfs/dbraw/zinc/30/53/54/367305354.db2.gz DJTUZZAZNUOAOB-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)[NH3+])c1 ZINC000165341209 367306872 /nfs/dbraw/zinc/30/68/72/367306872.db2.gz MGWMQMXDSQPHNR-LBPRGKRZSA-N 2 1 286.379 2.341 20 0 CEADMP COC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165344455 367307480 /nfs/dbraw/zinc/30/74/80/367307480.db2.gz SLTDNUVYRLBOOQ-RDJZCZTQSA-N 2 1 276.424 2.176 20 0 CEADMP Cc1cnc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000341411458 367327790 /nfs/dbraw/zinc/32/77/90/367327790.db2.gz WHFHGZJHCAJTLO-QGZVFWFLSA-N 2 1 298.434 2.340 20 0 CEADMP COC[C@@H]1CCCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000342562421 367422750 /nfs/dbraw/zinc/42/27/50/367422750.db2.gz CKRASFUBSURROP-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@@H]1CCCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000342562421 367422755 /nfs/dbraw/zinc/42/27/55/367422755.db2.gz CKRASFUBSURROP-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631636509 367456739 /nfs/dbraw/zinc/45/67/39/367456739.db2.gz DWVYZPPXACNYPF-VGWMRTNUSA-N 2 1 278.440 2.266 20 0 CEADMP C[NH+]1CCC([NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000171384145 367531701 /nfs/dbraw/zinc/53/17/01/367531701.db2.gz ASYSPMWTYGUTRS-UHFFFAOYSA-N 2 1 258.365 2.146 20 0 CEADMP C[N@@H+](CCc1cccc2c1OC(F)(F)O2)C1CC[NH2+]CC1 ZINC000631821229 367559952 /nfs/dbraw/zinc/55/99/52/367559952.db2.gz SEVNQDSZTHRFFM-UHFFFAOYSA-N 2 1 298.333 2.234 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000631838513 367578565 /nfs/dbraw/zinc/57/85/65/367578565.db2.gz PQSLUSZSNCHICN-VHDGCEQUSA-N 2 1 289.423 2.157 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000631838513 367578569 /nfs/dbraw/zinc/57/85/69/367578569.db2.gz PQSLUSZSNCHICN-VHDGCEQUSA-N 2 1 289.423 2.157 20 0 CEADMP C[C@H]1C[N@@H+](CCc2nsc3ccccc32)C[C@@H]1C[NH3+] ZINC000631836740 367574724 /nfs/dbraw/zinc/57/47/24/367574724.db2.gz GCAIOFDRWWDTNH-RYUDHWBXSA-N 2 1 275.421 2.365 20 0 CEADMP COc1ccc(CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631886771 367609600 /nfs/dbraw/zinc/60/96/00/367609600.db2.gz MDWOXZNOSAXVND-DOTOQJQBSA-N 2 1 274.408 2.312 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631890839 367612703 /nfs/dbraw/zinc/61/27/03/367612703.db2.gz VYIMFCHOVFAOQH-OLZOCXBDSA-N 2 1 265.426 2.334 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631890839 367612705 /nfs/dbraw/zinc/61/27/05/367612705.db2.gz VYIMFCHOVFAOQH-OLZOCXBDSA-N 2 1 265.426 2.334 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c2c(c1)COCC2 ZINC000631891390 367612728 /nfs/dbraw/zinc/61/27/28/367612728.db2.gz YODXUSQSWXIYHH-KBXCAEBGSA-N 2 1 286.419 2.333 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCCC[NH+](C)C1CCCCC1 ZINC000343050178 367645407 /nfs/dbraw/zinc/64/54/07/367645407.db2.gz CBNNNYSIJVLERL-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[NH+](C)C[C@@H]1NCCC[N@H+](C)C1CCCCC1 ZINC000343050178 367645408 /nfs/dbraw/zinc/64/54/08/367645408.db2.gz CBNNNYSIJVLERL-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[NH+](C)C[C@@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000343050178 367645410 /nfs/dbraw/zinc/64/54/10/367645410.db2.gz CBNNNYSIJVLERL-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H](C)[NH+]2CCCC[C@H]2C)C1 ZINC000343281438 367740710 /nfs/dbraw/zinc/74/07/10/367740710.db2.gz CWKSMOBRBGAQDD-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H](C)[NH+]2CCCC[C@H]2C)C1 ZINC000343281438 367740711 /nfs/dbraw/zinc/74/07/11/367740711.db2.gz CWKSMOBRBGAQDD-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC000343281438 367740714 /nfs/dbraw/zinc/74/07/14/367740714.db2.gz CWKSMOBRBGAQDD-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC000343281438 367740716 /nfs/dbraw/zinc/74/07/16/367740716.db2.gz CWKSMOBRBGAQDD-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2nccs2)[C@@H](C)C1 ZINC000358048838 370884624 /nfs/dbraw/zinc/88/46/24/370884624.db2.gz QSJWGZLESAOWNI-QWHCGFSZSA-N 2 1 267.442 2.396 20 0 CEADMP C(CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C[NH+]1CCCC1 ZINC000245921078 370889228 /nfs/dbraw/zinc/88/92/28/370889228.db2.gz SRXYDBJEFRKJIL-WMZOPIPTSA-N 2 1 291.483 2.421 20 0 CEADMP COC[C@@H](CC(C)C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000358078088 370894962 /nfs/dbraw/zinc/89/49/62/370894962.db2.gz DIJIOZPYTWCRBS-DZGCQCFKSA-N 2 1 267.417 2.478 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)CC2CCCC2)[C@H](C)C1 ZINC000343595615 367906672 /nfs/dbraw/zinc/90/66/72/367906672.db2.gz KNRWTKOFYXGULR-PVAVHDDUSA-N 2 1 282.472 2.495 20 0 CEADMP CCC(CC)C[N@H+](CC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000343554204 367881621 /nfs/dbraw/zinc/88/16/21/367881621.db2.gz HRBXDTVJUKBMGF-HNNXBMFYSA-N 2 1 297.487 2.297 20 0 CEADMP CCC(CC)C[N@@H+](CC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000343554204 367881627 /nfs/dbraw/zinc/88/16/27/367881627.db2.gz HRBXDTVJUKBMGF-HNNXBMFYSA-N 2 1 297.487 2.297 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000343556154 367881973 /nfs/dbraw/zinc/88/19/73/367881973.db2.gz BGOWVKXTOCPCLH-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCCC(C)(C)C2)CC[N@H+]1C ZINC000682143450 541637133 /nfs/dbraw/zinc/63/71/33/541637133.db2.gz IFYYRRFBPAGTMU-IJEWVQPXSA-N 2 1 268.445 2.390 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC[N@@H+]1C ZINC000633205344 368107975 /nfs/dbraw/zinc/10/79/75/368107975.db2.gz PTTJAPMBGRRVPS-UONOGXRCSA-N 2 1 286.379 2.312 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC[N@H+]1C ZINC000633205344 368107977 /nfs/dbraw/zinc/10/79/77/368107977.db2.gz PTTJAPMBGRRVPS-UONOGXRCSA-N 2 1 286.379 2.312 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc[nH]c(=O)c1 ZINC000344142341 368109649 /nfs/dbraw/zinc/10/96/49/368109649.db2.gz VBXVICASGSPJAV-NSHDSACASA-N 2 1 261.369 2.065 20 0 CEADMP C(C1CCOCC1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000179169368 368325896 /nfs/dbraw/zinc/32/58/96/368325896.db2.gz POZFXIVOVZSDNB-RDJZCZTQSA-N 2 1 278.440 2.362 20 0 CEADMP C(C1CCOCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000179169368 368325898 /nfs/dbraw/zinc/32/58/98/368325898.db2.gz POZFXIVOVZSDNB-RDJZCZTQSA-N 2 1 278.440 2.362 20 0 CEADMP C(C1CCOCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000179169368 368325904 /nfs/dbraw/zinc/32/59/04/368325904.db2.gz POZFXIVOVZSDNB-RDJZCZTQSA-N 2 1 278.440 2.362 20 0 CEADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000345700354 368377420 /nfs/dbraw/zinc/37/74/20/368377420.db2.gz XETKAPGEDPPLBN-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@@H](C(=O)N1CCC[N@H+](C(C)C)CC1)[NH+](CC)CC ZINC000345860404 368458259 /nfs/dbraw/zinc/45/82/59/368458259.db2.gz FMUSRHUDYFRKHA-HNNXBMFYSA-N 2 1 283.460 2.050 20 0 CEADMP C[N@H+](CCO[C@@H]1CCCCO1)CC[C@@H]1CCCC[NH+]1C ZINC000181720868 368487800 /nfs/dbraw/zinc/48/78/00/368487800.db2.gz MHTRXLZDJGQBSM-JKSUJKDBSA-N 2 1 284.444 2.336 20 0 CEADMP C[N@@H+](CCO[C@@H]1CCCCO1)CC[C@@H]1CCCC[NH+]1C ZINC000181720868 368487801 /nfs/dbraw/zinc/48/78/01/368487801.db2.gz MHTRXLZDJGQBSM-JKSUJKDBSA-N 2 1 284.444 2.336 20 0 CEADMP C[NH+](CCO[C@@H]1CCCCO1)CC[C@@H]1CCCC[N@@H+]1C ZINC000181720868 368487805 /nfs/dbraw/zinc/48/78/05/368487805.db2.gz MHTRXLZDJGQBSM-JKSUJKDBSA-N 2 1 284.444 2.336 20 0 CEADMP C[NH+](CCO[C@@H]1CCCCO1)CC[C@@H]1CCCC[N@H+]1C ZINC000181720868 368487808 /nfs/dbraw/zinc/48/78/08/368487808.db2.gz MHTRXLZDJGQBSM-JKSUJKDBSA-N 2 1 284.444 2.336 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC000345945067 368491255 /nfs/dbraw/zinc/49/12/55/368491255.db2.gz GGHBWLUOMWQIAW-PMPSAXMXSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000572691826 299389109 /nfs/dbraw/zinc/38/91/09/299389109.db2.gz XKXNGSCCNHXFQL-XGUBFFRZSA-N 2 1 254.418 2.406 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000572691826 299389112 /nfs/dbraw/zinc/38/91/12/299389112.db2.gz XKXNGSCCNHXFQL-XGUBFFRZSA-N 2 1 254.418 2.406 20 0 CEADMP Cc1nccc(NCC[N@@H+]2CC=C(C(C)(C)C)CC2)n1 ZINC000346100281 368544209 /nfs/dbraw/zinc/54/42/09/368544209.db2.gz IODPMGLBYYUUFL-UHFFFAOYSA-N 2 1 274.412 2.297 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000346166348 368571383 /nfs/dbraw/zinc/57/13/83/368571383.db2.gz OBHOGQBRSUVXML-JKSUJKDBSA-N 2 1 267.461 2.133 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000346298532 368625558 /nfs/dbraw/zinc/62/55/58/368625558.db2.gz WNVIHPNFMJPAHH-GJZGRUSLSA-N 2 1 295.471 2.227 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000183479624 368628585 /nfs/dbraw/zinc/62/85/85/368628585.db2.gz MTYNYAKPSBCZHS-DYVFJYSZSA-N 2 1 292.471 2.289 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000183479641 368628739 /nfs/dbraw/zinc/62/87/39/368628739.db2.gz MTYNYAKPSBCZHS-CXAGYDPISA-N 2 1 292.471 2.289 20 0 CEADMP CCC[N@@H+](CCn1ccnc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000346313400 368631914 /nfs/dbraw/zinc/63/19/14/368631914.db2.gz PYHFHQNYNPXVLI-ZNMIVQPWSA-N 2 1 277.412 2.409 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000346572782 368722103 /nfs/dbraw/zinc/72/21/03/368722103.db2.gz YHUMXXYKFMEKJB-ZNMIVQPWSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc(F)c1F ZINC000358137444 370919277 /nfs/dbraw/zinc/91/92/77/370919277.db2.gz GVZCAAKVDFFBBM-FZMZJTMJSA-N 2 1 268.351 2.437 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnccc1N(C)C ZINC000185185030 368763245 /nfs/dbraw/zinc/76/32/45/368763245.db2.gz VLDHIEWAXGKSRN-CYBMUJFWSA-N 2 1 287.411 2.078 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccccc1 ZINC000358180026 370939279 /nfs/dbraw/zinc/93/92/79/370939279.db2.gz RWABGOJDEWJMKU-SQWLQELKSA-N 2 1 262.397 2.384 20 0 CEADMP C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)CC(C)(C)C[NH3+] ZINC000346693317 368775972 /nfs/dbraw/zinc/77/59/72/368775972.db2.gz MHNTYTNGEUJQBD-UHFFFAOYSA-N 2 1 272.396 2.493 20 0 CEADMP C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)CC(C)(C)C[NH3+] ZINC000346693317 368775977 /nfs/dbraw/zinc/77/59/77/368775977.db2.gz MHNTYTNGEUJQBD-UHFFFAOYSA-N 2 1 272.396 2.493 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000346635398 368743861 /nfs/dbraw/zinc/74/38/61/368743861.db2.gz GXBNIPVZRLDYQK-OCCSQVGLSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000346651125 368752662 /nfs/dbraw/zinc/75/26/62/368752662.db2.gz GYQGESDYCFRVMM-DGCLKSJQSA-N 2 1 288.370 2.385 20 0 CEADMP CC1(C)C[C@H]1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634704686 368830811 /nfs/dbraw/zinc/83/08/11/368830811.db2.gz OBBKPKNTVMCTJI-FUHWJXTLSA-N 2 1 288.435 2.259 20 0 CEADMP CC1(C)C[C@H]1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704686 368830815 /nfs/dbraw/zinc/83/08/15/368830815.db2.gz OBBKPKNTVMCTJI-FUHWJXTLSA-N 2 1 288.435 2.259 20 0 CEADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733288 368845146 /nfs/dbraw/zinc/84/51/46/368845146.db2.gz BYYYSSOQOLXHDN-CPUCHLNUSA-N 2 1 272.392 2.284 20 0 CEADMP CC[C@@H]1C[C@H]1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715894 368835694 /nfs/dbraw/zinc/83/56/94/368835694.db2.gz LOAWJZPGUOYKFW-SQNIBIBYSA-N 2 1 288.435 2.259 20 0 CEADMP CC[C@@H]1C[C@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715894 368835700 /nfs/dbraw/zinc/83/57/00/368835700.db2.gz LOAWJZPGUOYKFW-SQNIBIBYSA-N 2 1 288.435 2.259 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@]1(C)C1CCCCC1)C1CC1 ZINC000634652330 368799025 /nfs/dbraw/zinc/79/90/25/368799025.db2.gz NWUMMEDGWANVTQ-DLBZAZTESA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@]1(C)C1CCCCC1)C1CC1 ZINC000634652330 368799032 /nfs/dbraw/zinc/79/90/32/368799032.db2.gz NWUMMEDGWANVTQ-DLBZAZTESA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@]1(C)C1CCCCC1)C1CC1 ZINC000634652330 368799038 /nfs/dbraw/zinc/79/90/38/368799038.db2.gz NWUMMEDGWANVTQ-DLBZAZTESA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@]1(C)C1CCCCC1)C1CC1 ZINC000634652330 368799044 /nfs/dbraw/zinc/79/90/44/368799044.db2.gz NWUMMEDGWANVTQ-DLBZAZTESA-N 2 1 280.456 2.486 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)C(F)F)cc1 ZINC000348071848 368885018 /nfs/dbraw/zinc/88/50/18/368885018.db2.gz JFMJVVGDCJUWCS-HZMBPMFUSA-N 2 1 295.333 2.457 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)F)[C@@H](C)C1 ZINC000348266131 368976635 /nfs/dbraw/zinc/97/66/35/368976635.db2.gz BFXKSUWSXJOATQ-RFQIPJPRSA-N 2 1 290.398 2.367 20 0 CEADMP Cn1nc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000186479154 368981086 /nfs/dbraw/zinc/98/10/86/368981086.db2.gz PLLSVVFFVPRXEH-HUUCEWRRSA-N 2 1 298.434 2.332 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991727 369020363 /nfs/dbraw/zinc/02/03/63/369020363.db2.gz PRNSUZXERNXARH-KGLIPLIRSA-N 2 1 296.418 2.500 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCc2cnn(CC)c2)CC1 ZINC000348368489 369021615 /nfs/dbraw/zinc/02/16/15/369021615.db2.gz UQICEILHRBRTAY-UHFFFAOYSA-N 2 1 278.444 2.252 20 0 CEADMP C([N@@H+]1CCS[C@H]2CCCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634992964 369022822 /nfs/dbraw/zinc/02/28/22/369022822.db2.gz HQZSQGABFWKPMU-QPPOZKHWSA-N 2 1 252.427 2.098 20 0 CEADMP C([N@H+]1CCS[C@H]2CCCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634992964 369022827 /nfs/dbraw/zinc/02/28/27/369022827.db2.gz HQZSQGABFWKPMU-QPPOZKHWSA-N 2 1 252.427 2.098 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634994841 369023307 /nfs/dbraw/zinc/02/33/07/369023307.db2.gz OEHMPERNTKMTHT-UHFFFAOYSA-N 2 1 270.380 2.030 20 0 CEADMP C[N@H+](Cc1cccc(-c2ccc(N)cc2)n1)C1CC([NH3+])C1 ZINC000634994746 369023563 /nfs/dbraw/zinc/02/35/63/369023563.db2.gz LWTMDHNOVUMASA-UHFFFAOYSA-N 2 1 282.391 2.252 20 0 CEADMP C[N@@H+](Cc1cccc(-c2ccc(N)cc2)n1)C1CC([NH3+])C1 ZINC000634994746 369023568 /nfs/dbraw/zinc/02/35/68/369023568.db2.gz LWTMDHNOVUMASA-UHFFFAOYSA-N 2 1 282.391 2.252 20 0 CEADMP CCOc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1OC ZINC000635000103 369035820 /nfs/dbraw/zinc/03/58/20/369035820.db2.gz HFXGREXOZBXFKG-GXTWGEPZSA-N 2 1 278.396 2.121 20 0 CEADMP Cc1ccc2cc(C[NH+]3CCC([NH2+]CCO)CC3)ccc2n1 ZINC000635001364 369036010 /nfs/dbraw/zinc/03/60/10/369036010.db2.gz QLOYNRLIXAQEAR-UHFFFAOYSA-N 2 1 299.418 2.090 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@H](N[C@@H](C)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000635010929 369048662 /nfs/dbraw/zinc/04/86/62/369048662.db2.gz BWEXRPWHCLZYEW-CGTJXYLNSA-N 2 1 287.451 2.299 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)nn1C ZINC000635003563 369039852 /nfs/dbraw/zinc/03/98/52/369039852.db2.gz AKJZTAQKQIFNNJ-HOCLYGCPSA-N 2 1 286.423 2.339 20 0 CEADMP [NH3+][C@H](CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000635004363 369040009 /nfs/dbraw/zinc/04/00/09/369040009.db2.gz DVMUPCBCCYDQJG-FGTMMUONSA-N 2 1 287.451 2.163 20 0 CEADMP [NH3+][C@H](CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000635004363 369040013 /nfs/dbraw/zinc/04/00/13/369040013.db2.gz DVMUPCBCCYDQJG-FGTMMUONSA-N 3 1 287.451 2.163 20 0 CEADMP [NH3+][C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000635004363 369040016 /nfs/dbraw/zinc/04/00/16/369040016.db2.gz DVMUPCBCCYDQJG-FGTMMUONSA-N 3 1 287.451 2.163 20 0 CEADMP CC[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000348300684 368990729 /nfs/dbraw/zinc/99/07/29/368990729.db2.gz KEFJXSIRMGLGTR-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1CC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000348300684 368990734 /nfs/dbraw/zinc/99/07/34/368990734.db2.gz KEFJXSIRMGLGTR-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000635013408 369051349 /nfs/dbraw/zinc/05/13/49/369051349.db2.gz SGXQUWYGYGHRBB-OLZOCXBDSA-N 2 1 265.376 2.074 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000635013235 369051874 /nfs/dbraw/zinc/05/18/74/369051874.db2.gz DLRHQNKEWFSQPF-ZLDLUXBVSA-N 2 1 282.815 2.004 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635325245 369140883 /nfs/dbraw/zinc/14/08/83/369140883.db2.gz LXGPICXYHSBZTL-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635325245 369140887 /nfs/dbraw/zinc/14/08/87/369140887.db2.gz LXGPICXYHSBZTL-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635325245 369140890 /nfs/dbraw/zinc/14/08/90/369140890.db2.gz LXGPICXYHSBZTL-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000635566436 369222413 /nfs/dbraw/zinc/22/24/13/369222413.db2.gz WMGRXDGDZWHTFR-OAGGEKHMSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH+]2CCC([NH+]3CCCC3)CC2)O1 ZINC000188546268 369374236 /nfs/dbraw/zinc/37/42/36/369374236.db2.gz XMSYDOKNKWPLSF-HIFRSBDPSA-N 2 1 252.402 2.114 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635938862 369413020 /nfs/dbraw/zinc/41/30/20/369413020.db2.gz WAIBHQVUNKQODR-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635938862 369413024 /nfs/dbraw/zinc/41/30/24/369413024.db2.gz WAIBHQVUNKQODR-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635938862 369413029 /nfs/dbraw/zinc/41/30/29/369413029.db2.gz WAIBHQVUNKQODR-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635947178 369417584 /nfs/dbraw/zinc/41/75/84/369417584.db2.gz GAHRUGILKLXOBB-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189080689 369453110 /nfs/dbraw/zinc/45/31/10/369453110.db2.gz NZZFNLKOEUQOKY-OAHLLOKOSA-N 2 1 266.429 2.146 20 0 CEADMP CO[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)CC[C@H]1C ZINC000189252966 369484268 /nfs/dbraw/zinc/48/42/68/369484268.db2.gz WYMGTBJDCMHNMG-UKRRQHHQSA-N 2 1 265.401 2.329 20 0 CEADMP CO[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CC[C@H]1C ZINC000189252966 369484271 /nfs/dbraw/zinc/48/42/71/369484271.db2.gz WYMGTBJDCMHNMG-UKRRQHHQSA-N 2 1 265.401 2.329 20 0 CEADMP CC[C@@](C)(C[N@H+]1CCCC12CC[NH+](C)CC2)OC ZINC000639081363 370954444 /nfs/dbraw/zinc/95/44/44/370954444.db2.gz IJAYPYBHSKYKKH-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP COc1cncc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1C ZINC000639082881 370956000 /nfs/dbraw/zinc/95/60/00/370956000.db2.gz ZGYDJFQBLYUSBK-UHFFFAOYSA-N 2 1 289.423 2.459 20 0 CEADMP CCOC1CC(C[N@H+]2CCCC23CC[NH+](C)CC3)C1 ZINC000639082649 370956549 /nfs/dbraw/zinc/95/65/49/370956549.db2.gz VCFBXNYECNCDHV-UHFFFAOYSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358259155 370977783 /nfs/dbraw/zinc/97/77/83/370977783.db2.gz UNSAJKXOMKZTLH-IRXDYDNUSA-N 2 1 276.424 2.430 20 0 CEADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358250261 370971445 /nfs/dbraw/zinc/97/14/45/370971445.db2.gz LEYGWZVGIBEMJP-GOEBONIOSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000358250261 370971450 /nfs/dbraw/zinc/97/14/50/370971450.db2.gz LEYGWZVGIBEMJP-GOEBONIOSA-N 2 1 262.397 2.021 20 0 CEADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000358251664 370972298 /nfs/dbraw/zinc/97/22/98/370972298.db2.gz MRVRMALHQOBYQH-CABCVRRESA-N 2 1 282.815 2.447 20 0 CEADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000358251664 370972304 /nfs/dbraw/zinc/97/23/04/370972304.db2.gz MRVRMALHQOBYQH-CABCVRRESA-N 2 1 282.815 2.447 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CCOC2)C1 ZINC000246559440 370976915 /nfs/dbraw/zinc/97/69/15/370976915.db2.gz XCMBUKFRHRBZDL-BZUAXINKSA-N 2 1 268.445 2.369 20 0 CEADMP Cc1cccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1C ZINC000358265287 370983037 /nfs/dbraw/zinc/98/30/37/370983037.db2.gz ZLRDKKJWVSYJMY-GOEBONIOSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1cccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1C ZINC000358265287 370983041 /nfs/dbraw/zinc/98/30/41/370983041.db2.gz ZLRDKKJWVSYJMY-GOEBONIOSA-N 2 1 262.397 2.021 20 0 CEADMP CC[C@H](C)[C@@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)OC ZINC000639105682 370983481 /nfs/dbraw/zinc/98/34/81/370983481.db2.gz USLIHQYNOSVFCZ-SOUVJXGZSA-N 2 1 256.434 2.464 20 0 CEADMP CC(C)C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358259155 370977786 /nfs/dbraw/zinc/97/77/86/370977786.db2.gz UNSAJKXOMKZTLH-IRXDYDNUSA-N 2 1 276.424 2.430 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCCF)CC1 ZINC000351843669 369654686 /nfs/dbraw/zinc/65/46/86/369654686.db2.gz HCPKQMQEVYIGSZ-IYBDPMFKSA-N 2 1 285.451 2.227 20 0 CEADMP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352509077 369764882 /nfs/dbraw/zinc/76/48/82/369764882.db2.gz IZCPASLGUCPHQZ-GJZGRUSLSA-N 2 1 283.460 2.083 20 0 CEADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352509077 369764886 /nfs/dbraw/zinc/76/48/86/369764886.db2.gz IZCPASLGUCPHQZ-GJZGRUSLSA-N 2 1 283.460 2.083 20 0 CEADMP COC(=O)C1CCC([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000192441905 369813382 /nfs/dbraw/zinc/81/33/82/369813382.db2.gz KEVHZCFGLQKLHN-QQFBHYJXSA-N 2 1 296.455 2.428 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000352534470 369775976 /nfs/dbraw/zinc/77/59/76/369775976.db2.gz GVQNJGVYATVYLX-GFCCVEGCSA-N 2 1 290.333 2.149 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000352534470 369775980 /nfs/dbraw/zinc/77/59/80/369775980.db2.gz GVQNJGVYATVYLX-GFCCVEGCSA-N 2 1 290.333 2.149 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(CO)cc2)C[C@H]1C ZINC000352540279 369778879 /nfs/dbraw/zinc/77/88/79/369778879.db2.gz JDDXXAYWTLFJJC-PBHICJAKSA-N 2 1 276.424 2.484 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(CO)cc2)C[C@H]1C ZINC000352540279 369778882 /nfs/dbraw/zinc/77/88/82/369778882.db2.gz JDDXXAYWTLFJJC-PBHICJAKSA-N 2 1 276.424 2.484 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(CO)cc2)C[C@H]1C ZINC000352540279 369778883 /nfs/dbraw/zinc/77/88/83/369778883.db2.gz JDDXXAYWTLFJJC-PBHICJAKSA-N 2 1 276.424 2.484 20 0 CEADMP Cc1n[nH]cc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352540404 369778944 /nfs/dbraw/zinc/77/89/44/369778944.db2.gz KTESKKBGFUGYLI-UHFFFAOYSA-N 2 1 250.390 2.059 20 0 CEADMP Cn1nccc1-c1ccccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000352739892 369861864 /nfs/dbraw/zinc/86/18/64/369861864.db2.gz RSYVDGUDAJEQPB-UHFFFAOYSA-N 2 1 296.418 2.439 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccnn1C ZINC000192931849 369873421 /nfs/dbraw/zinc/87/34/21/369873421.db2.gz HLBSMQJZLCOENT-ZDUSSCGKSA-N 2 1 276.428 2.478 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC[C@H](C)[NH3+])c2C1 ZINC000193307637 369922686 /nfs/dbraw/zinc/92/26/86/369922686.db2.gz IALVUOAGWXEBBH-LBPRGKRZSA-N 2 1 275.396 2.478 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)CC[C@H](C)[NH3+])c2C1 ZINC000193307637 369922690 /nfs/dbraw/zinc/92/26/90/369922690.db2.gz IALVUOAGWXEBBH-LBPRGKRZSA-N 2 1 275.396 2.478 20 0 CEADMP C[C@H]([NH3+])CCC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000193322591 369926851 /nfs/dbraw/zinc/92/68/51/369926851.db2.gz HAYOXKZFRCLIRB-GJZGRUSLSA-N 2 1 291.439 2.141 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000353626065 370120128 /nfs/dbraw/zinc/12/01/28/370120128.db2.gz TZXHZIDSYVZNRQ-BGTYHANMSA-N 2 1 288.435 2.082 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)[C@H](C)C1 ZINC000353650034 370120732 /nfs/dbraw/zinc/12/07/32/370120732.db2.gz PLLULFNFTBHTJQ-HUUCEWRRSA-N 3 1 299.528 2.134 20 0 CEADMP CCN1CC[C@@H]([NH2+]CC2(SC)CC[NH+](C)CC2)[C@H](C)C1 ZINC000353650034 370120733 /nfs/dbraw/zinc/12/07/33/370120733.db2.gz PLLULFNFTBHTJQ-HUUCEWRRSA-N 2 1 299.528 2.134 20 0 CEADMP c1ccc([C@@H]2C[C@@H]2C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000353698967 370121964 /nfs/dbraw/zinc/12/19/64/370121964.db2.gz AADOIDYMERYNNW-WCXIOVBPSA-N 2 1 256.393 2.474 20 0 CEADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000353698967 370121967 /nfs/dbraw/zinc/12/19/67/370121967.db2.gz AADOIDYMERYNNW-WCXIOVBPSA-N 2 1 256.393 2.474 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000353945163 370148830 /nfs/dbraw/zinc/14/88/30/370148830.db2.gz NXHZHVOGDMKXQR-LBPRGKRZSA-N 2 1 281.400 2.007 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C)C(C)C ZINC000354145267 370233408 /nfs/dbraw/zinc/23/34/08/370233408.db2.gz AEJLWBPVKWTWLD-RBSFLKMASA-N 2 1 284.444 2.284 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C)C(C)C ZINC000354145267 370233411 /nfs/dbraw/zinc/23/34/11/370233411.db2.gz AEJLWBPVKWTWLD-RBSFLKMASA-N 2 1 284.444 2.284 20 0 CEADMP C[C@@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)C(C)(C)C[NH+](C)C ZINC000354064947 370201028 /nfs/dbraw/zinc/20/10/28/370201028.db2.gz KJVJJXIJXDUGLJ-HUUCEWRRSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC000354326448 370316250 /nfs/dbraw/zinc/31/62/50/370316250.db2.gz DEHRAMZWXZIDOC-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000354326447 370316343 /nfs/dbraw/zinc/31/63/43/370316343.db2.gz DEHRAMZWXZIDOC-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@](C)(CC)OC)C1 ZINC000638122185 370318253 /nfs/dbraw/zinc/31/82/53/370318253.db2.gz JCGDCEQXJUSPHO-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000354211029 370261946 /nfs/dbraw/zinc/26/19/46/370261946.db2.gz MADBHIRPBLSINN-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC(=O)NCCC(C)(C)C)C[C@H]1C ZINC000354221584 370267085 /nfs/dbraw/zinc/26/70/85/370267085.db2.gz HJYDCKQUGQGYDQ-CABCVRRESA-N 2 1 297.487 2.343 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CCOCC2)[C@H](C)C1 ZINC000638113958 370311658 /nfs/dbraw/zinc/31/16/58/370311658.db2.gz ROVRPGCJAFVQIJ-HYVNUMGLSA-N 2 1 298.471 2.090 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)C2CCOCC2)[C@H](C)C1 ZINC000638113958 370311663 /nfs/dbraw/zinc/31/16/63/370311663.db2.gz ROVRPGCJAFVQIJ-HYVNUMGLSA-N 2 1 298.471 2.090 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)C2CCOCC2)[C@H](C)C1 ZINC000638113958 370311668 /nfs/dbraw/zinc/31/16/68/370311668.db2.gz ROVRPGCJAFVQIJ-HYVNUMGLSA-N 2 1 298.471 2.090 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(=O)[nH]c1 ZINC000638116711 370312294 /nfs/dbraw/zinc/31/22/94/370312294.db2.gz FYSOAPZKGWGWDT-CQSZACIVSA-N 2 1 263.385 2.093 20 0 CEADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(=O)[nH]c1 ZINC000638116711 370312299 /nfs/dbraw/zinc/31/22/99/370312299.db2.gz FYSOAPZKGWGWDT-CQSZACIVSA-N 2 1 263.385 2.093 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(=O)[nH]c1 ZINC000638116711 370312304 /nfs/dbraw/zinc/31/23/04/370312304.db2.gz FYSOAPZKGWGWDT-CQSZACIVSA-N 2 1 263.385 2.093 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(=O)[nH]c1 ZINC000638116711 370312308 /nfs/dbraw/zinc/31/23/08/370312308.db2.gz FYSOAPZKGWGWDT-CQSZACIVSA-N 2 1 263.385 2.093 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(=O)[nH]c1 ZINC000638116711 370312311 /nfs/dbraw/zinc/31/23/11/370312311.db2.gz FYSOAPZKGWGWDT-CQSZACIVSA-N 2 1 263.385 2.093 20 0 CEADMP Cc1c(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cnn1C ZINC000226310431 370334119 /nfs/dbraw/zinc/33/41/19/370334119.db2.gz CETMAANTHZXFKX-DOMZBBRYSA-N 2 1 264.417 2.129 20 0 CEADMP CC(C)(C[NH2+]CCC[C@@H]1CCO1)[NH+]1CCCCC1 ZINC000638291283 370427439 /nfs/dbraw/zinc/42/74/39/370427439.db2.gz NZLWKPWZVFNOFO-CQSZACIVSA-N 2 1 254.418 2.410 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000228415179 370402504 /nfs/dbraw/zinc/40/25/04/370402504.db2.gz XFXHXXUDMGKXJG-UONOGXRCSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000228415179 370402507 /nfs/dbraw/zinc/40/25/07/370402507.db2.gz XFXHXXUDMGKXJG-UONOGXRCSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000228415179 370402511 /nfs/dbraw/zinc/40/25/11/370402511.db2.gz XFXHXXUDMGKXJG-UONOGXRCSA-N 2 1 282.428 2.134 20 0 CEADMP COc1ccc(CC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228472868 370403714 /nfs/dbraw/zinc/40/37/14/370403714.db2.gz PLINKZJHJUODEP-USXIJHARSA-N 2 1 274.408 2.297 20 0 CEADMP C[N@@H+](CC(=O)Nc1ccc2c(c1)C[NH2+]C2)CC(C)(C)C ZINC000638258925 370405436 /nfs/dbraw/zinc/40/54/36/370405436.db2.gz QFBBMUHYCJWMCZ-UHFFFAOYSA-N 2 1 275.396 2.206 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)ccn1 ZINC000638321895 370445786 /nfs/dbraw/zinc/44/57/86/370445786.db2.gz RVIJOLYWJSLIHR-CYBMUJFWSA-N 2 1 289.423 2.238 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(C2CC2)no1 ZINC000638335282 370453415 /nfs/dbraw/zinc/45/34/15/370453415.db2.gz KRYHYBCOYNFICB-NSHDSACASA-N 2 1 274.368 2.483 20 0 CEADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000638358488 370468318 /nfs/dbraw/zinc/46/83/18/370468318.db2.gz CHPZAPDPZDNMQA-OAHLLOKOSA-N 2 1 292.423 2.482 20 0 CEADMP C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638412932 370512913 /nfs/dbraw/zinc/51/29/13/370512913.db2.gz VBTQGECWYSEEGF-UNEWFSDZSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638412932 370512918 /nfs/dbraw/zinc/51/29/18/370512918.db2.gz VBTQGECWYSEEGF-UNEWFSDZSA-N 2 1 274.408 2.325 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)cccc2OC)C1 ZINC000638381326 370486986 /nfs/dbraw/zinc/48/69/86/370486986.db2.gz KAJPUNKQAXASHK-CQSZACIVSA-N 2 1 262.397 2.435 20 0 CEADMP Cn1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000354884220 370495282 /nfs/dbraw/zinc/49/52/82/370495282.db2.gz TWMPPMFKDZRSCI-UHFFFAOYSA-N 2 1 299.422 2.164 20 0 CEADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccns1 ZINC000638444498 370535592 /nfs/dbraw/zinc/53/55/92/370535592.db2.gz FJPADWNKWMOCEB-UHFFFAOYSA-N 2 1 291.420 2.373 20 0 CEADMP C[C@@H]1CCC[C@](C[NH2+]C2CCC(O)CC2)([NH+](C)C)C1 ZINC000235301871 370561084 /nfs/dbraw/zinc/56/10/84/370561084.db2.gz FREJJKFAUAQLGC-LMPOIIKSSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000235735039 370575935 /nfs/dbraw/zinc/57/59/35/370575935.db2.gz BKSYLPKMUSUGLF-MRXNPFEDSA-N 2 1 255.365 2.406 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1COC2 ZINC000358297296 370999779 /nfs/dbraw/zinc/99/97/79/370999779.db2.gz HAHCAGYDNOZEMR-DLBZAZTESA-N 2 1 272.392 2.433 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1COC2 ZINC000358297296 370999784 /nfs/dbraw/zinc/99/97/84/370999784.db2.gz HAHCAGYDNOZEMR-DLBZAZTESA-N 2 1 272.392 2.433 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccns1 ZINC000639175097 371049156 /nfs/dbraw/zinc/04/91/56/371049156.db2.gz IIIYPVJBAMAMSM-UHFFFAOYSA-N 2 1 250.371 2.170 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccns1 ZINC000639175097 371049163 /nfs/dbraw/zinc/04/91/63/371049163.db2.gz IIIYPVJBAMAMSM-UHFFFAOYSA-N 2 1 250.371 2.170 20 0 CEADMP FC(F)(F)CSCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358332168 371019038 /nfs/dbraw/zinc/01/90/38/371019038.db2.gz UOVCHBUIQBFDCW-MNOVXSKESA-N 2 1 282.375 2.498 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnn(C)c1 ZINC000247002868 371045556 /nfs/dbraw/zinc/04/55/56/371045556.db2.gz KSDXZNKMYGWXNA-RBSFLKMASA-N 2 1 278.444 2.439 20 0 CEADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000639180751 371059592 /nfs/dbraw/zinc/05/95/92/371059592.db2.gz XYENJCIEKWXJSZ-DYVFJYSZSA-N 2 1 284.407 2.402 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2nccnc2c1 ZINC000639180751 371059605 /nfs/dbraw/zinc/05/96/05/371059605.db2.gz XYENJCIEKWXJSZ-DYVFJYSZSA-N 2 1 284.407 2.402 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000639180751 371059608 /nfs/dbraw/zinc/05/96/08/371059608.db2.gz XYENJCIEKWXJSZ-DYVFJYSZSA-N 2 1 284.407 2.402 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC000247207970 371076921 /nfs/dbraw/zinc/07/69/21/371076921.db2.gz LWUVMQUBNCUWHR-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000247207970 371076926 /nfs/dbraw/zinc/07/69/26/371076926.db2.gz LWUVMQUBNCUWHR-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000247207970 371076931 /nfs/dbraw/zinc/07/69/31/371076931.db2.gz LWUVMQUBNCUWHR-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3CCSCC3)C2)C1 ZINC000639202669 371089191 /nfs/dbraw/zinc/08/91/91/371089191.db2.gz AHWHZSFJQBLMDV-CQSZACIVSA-N 2 1 254.443 2.157 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CC3CCSCC3)C2)C1 ZINC000639202669 371089198 /nfs/dbraw/zinc/08/91/98/371089198.db2.gz AHWHZSFJQBLMDV-CQSZACIVSA-N 2 1 254.443 2.157 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3CCSCC3)C2)C1 ZINC000639202669 371089204 /nfs/dbraw/zinc/08/92/04/371089204.db2.gz AHWHZSFJQBLMDV-CQSZACIVSA-N 2 1 254.443 2.157 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1ccc(CO)cc1)C1CC1 ZINC000639243901 371139643 /nfs/dbraw/zinc/13/96/43/371139643.db2.gz FQOSYQDLDODFDQ-UHFFFAOYSA-N 2 1 262.397 2.143 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247980513 371152382 /nfs/dbraw/zinc/15/23/82/371152382.db2.gz MILNOMSTHVDATP-GDZNZVCISA-N 2 1 289.423 2.463 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000247994741 371153634 /nfs/dbraw/zinc/15/36/34/371153634.db2.gz JUHTXSHUWDXENN-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000247994741 371153637 /nfs/dbraw/zinc/15/36/37/371153637.db2.gz JUHTXSHUWDXENN-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP CO[C@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)CC(C)C ZINC000639256782 371156931 /nfs/dbraw/zinc/15/69/31/371156931.db2.gz FUJOPLYWDZTURB-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP COCCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248163139 371167219 /nfs/dbraw/zinc/16/72/19/371167219.db2.gz SLWDLQHYMCAMER-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP COCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248163139 371167223 /nfs/dbraw/zinc/16/72/23/371167223.db2.gz SLWDLQHYMCAMER-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP COCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248163139 371167227 /nfs/dbraw/zinc/16/72/27/371167227.db2.gz SLWDLQHYMCAMER-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)[C@]12CCCO2 ZINC000639290523 371192256 /nfs/dbraw/zinc/19/22/56/371192256.db2.gz UPSYUEINZFADRV-BRWVUGGUSA-N 2 1 298.471 2.281 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358755698 371206559 /nfs/dbraw/zinc/20/65/59/371206559.db2.gz UHSKGLMDHIQOON-OAHLLOKOSA-N 2 1 287.411 2.372 20 0 CEADMP Cn1nc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000248567443 371213084 /nfs/dbraw/zinc/21/30/84/371213084.db2.gz PLLSVVFFVPRXEH-GJZGRUSLSA-N 2 1 298.434 2.332 20 0 CEADMP C[C@H]([NH3+])CCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000248880183 371261216 /nfs/dbraw/zinc/26/12/16/371261216.db2.gz SBJSVHQRSPYASV-HRCADAONSA-N 2 1 295.471 2.227 20 0 CEADMP CCOC1CC(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000639348719 371261484 /nfs/dbraw/zinc/26/14/84/371261484.db2.gz YWPYPYSNABEGIE-WLYUNCDWSA-N 2 1 254.418 2.123 20 0 CEADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CC1 ZINC000639338757 371250052 /nfs/dbraw/zinc/25/00/52/371250052.db2.gz VQCKNCQDQWGAHS-GOEBONIOSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCCCO2)CC[N@H+]1C ZINC000248898909 371266797 /nfs/dbraw/zinc/26/67/97/371266797.db2.gz WAWDVAYIQZTVPH-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCc2nn(C)cc21)C[NH+]1CCCC1 ZINC000358931918 371271195 /nfs/dbraw/zinc/27/11/95/371271195.db2.gz JNECOIPVIFKGLD-HIFRSBDPSA-N 2 1 276.428 2.119 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CCC(C)(C)C)CC[N@@H+]1C ZINC000359073787 371327770 /nfs/dbraw/zinc/32/77/70/371327770.db2.gz WELHVCRRHXKEDO-HZSPNIEDSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CCC(C)(C)C)CC[N@H+]1C ZINC000359073787 371327772 /nfs/dbraw/zinc/32/77/72/371327772.db2.gz WELHVCRRHXKEDO-HZSPNIEDSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C[C@@H]1CCCOC1 ZINC000359152660 371355809 /nfs/dbraw/zinc/35/58/09/371355809.db2.gz JVOAYYCLYRIWLV-CABCVRRESA-N 2 1 254.418 2.267 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC(C)(C)CO2)[C@@H](C)C1 ZINC000639533741 371390048 /nfs/dbraw/zinc/39/00/48/371390048.db2.gz QEHFHUKDVGMIQI-ZNMIVQPWSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC(C)(C)CO2)[C@@H](C)C1 ZINC000639533741 371390051 /nfs/dbraw/zinc/39/00/51/371390051.db2.gz QEHFHUKDVGMIQI-ZNMIVQPWSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC(C)(C)CO2)[C@@H](C)C1 ZINC000639533741 371390054 /nfs/dbraw/zinc/39/00/54/371390054.db2.gz QEHFHUKDVGMIQI-ZNMIVQPWSA-N 2 1 268.445 2.464 20 0 CEADMP C([C@H]1CCCCO1)[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000250857574 371393880 /nfs/dbraw/zinc/39/38/80/371393880.db2.gz POSDQTMNBOOWLK-ILXRZTDVSA-N 2 1 252.402 2.162 20 0 CEADMP C([C@H]1CCCCO1)[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000250857574 371393885 /nfs/dbraw/zinc/39/38/85/371393885.db2.gz POSDQTMNBOOWLK-ILXRZTDVSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000251106130 371397529 /nfs/dbraw/zinc/39/75/29/371397529.db2.gz OCYAPWHDWOBFOY-IKGGRYGDSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000251106130 371397531 /nfs/dbraw/zinc/39/75/31/371397531.db2.gz OCYAPWHDWOBFOY-IKGGRYGDSA-N 3 1 279.472 2.325 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000251106130 371397534 /nfs/dbraw/zinc/39/75/34/371397534.db2.gz OCYAPWHDWOBFOY-IKGGRYGDSA-N 3 1 279.472 2.325 20 0 CEADMP C[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])C[NH+]1CCCCC1 ZINC000251155129 371397626 /nfs/dbraw/zinc/39/76/26/371397626.db2.gz YVDXLJCYAPMRMZ-OWCLPIDISA-N 2 1 267.461 2.216 20 0 CEADMP CC(C)[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCS1 ZINC000359189761 371370040 /nfs/dbraw/zinc/37/00/40/371370040.db2.gz MHYGFYYHYXSJRB-CQSZACIVSA-N 2 1 256.459 2.450 20 0 CEADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@@H]1COc2ccccc2O1 ZINC000359193350 371371169 /nfs/dbraw/zinc/37/11/69/371371169.db2.gz QTALQHBJRUVPTO-OAHLLOKOSA-N 2 1 290.407 2.148 20 0 CEADMP c1ccc(C[C@@H]2COCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000359209607 371376818 /nfs/dbraw/zinc/37/68/18/371376818.db2.gz DBLWILWSOQOBBM-GOSISDBHSA-N 2 1 288.435 2.320 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCSCC2)C1 ZINC000250139366 371379125 /nfs/dbraw/zinc/37/91/25/371379125.db2.gz YSVSFPWMZYPCOX-OLZOCXBDSA-N 2 1 256.459 2.450 20 0 CEADMP c1n[nH]cc1[C@@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359218623 371379927 /nfs/dbraw/zinc/37/99/27/371379927.db2.gz TWBOEVIMSCPUOB-HNNXBMFYSA-N 2 1 262.401 2.326 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000250227703 371381038 /nfs/dbraw/zinc/38/10/38/371381038.db2.gz FSMYBGPBTKKDCO-LTIDMASMSA-N 3 1 279.472 2.229 20 0 CEADMP CC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000250227703 371381042 /nfs/dbraw/zinc/38/10/42/371381042.db2.gz FSMYBGPBTKKDCO-LTIDMASMSA-N 2 1 279.472 2.229 20 0 CEADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000250227703 371381045 /nfs/dbraw/zinc/38/10/45/371381045.db2.gz FSMYBGPBTKKDCO-LTIDMASMSA-N 2 1 279.472 2.229 20 0 CEADMP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000250331526 371382534 /nfs/dbraw/zinc/38/25/34/371382534.db2.gz FJAOEUBQZWYACJ-CFVMTHIKSA-N 2 1 262.401 2.180 20 0 CEADMP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000250331526 371382537 /nfs/dbraw/zinc/38/25/37/371382537.db2.gz FJAOEUBQZWYACJ-CFVMTHIKSA-N 2 1 262.401 2.180 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250447310 371384325 /nfs/dbraw/zinc/38/43/25/371384325.db2.gz DLPKFMZYXCTQRF-CVEARBPZSA-N 2 1 288.391 2.190 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250447310 371384331 /nfs/dbraw/zinc/38/43/31/371384331.db2.gz DLPKFMZYXCTQRF-CVEARBPZSA-N 2 1 288.391 2.190 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@@H]2C)[C@@H](C)C1 ZINC000639589298 371426723 /nfs/dbraw/zinc/42/67/23/371426723.db2.gz LMZVTGTWOOCQOX-YVSFHVDLSA-N 2 1 298.471 2.138 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H]2C)[C@@H](C)C1 ZINC000639589294 371427013 /nfs/dbraw/zinc/42/70/13/371427013.db2.gz LMZVTGTWOOCQOX-QAETUUGQSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CS1 ZINC000252102885 371431757 /nfs/dbraw/zinc/43/17/57/371431757.db2.gz IOZXQVGYBJYUNH-RFLLOBDJSA-N 2 1 254.443 2.485 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CS1 ZINC000252102885 371431759 /nfs/dbraw/zinc/43/17/59/371431759.db2.gz IOZXQVGYBJYUNH-RFLLOBDJSA-N 2 1 254.443 2.485 20 0 CEADMP CC[C@H](C)[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccco1 ZINC000359563089 371471533 /nfs/dbraw/zinc/47/15/33/371471533.db2.gz SEAYMVJTZBQNSV-UONOGXRCSA-N 2 1 295.427 2.165 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC(=O)Nc1ccc(Cl)cc1 ZINC000252715474 371473254 /nfs/dbraw/zinc/47/32/54/371473254.db2.gz VRZROKKENPWZMN-BXUZGUMPSA-N 2 1 295.814 2.208 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000252779657 371478528 /nfs/dbraw/zinc/47/85/28/371478528.db2.gz QAFAOYXBHYOFEV-UONOGXRCSA-N 2 1 278.396 2.133 20 0 CEADMP CC[N@@H+]1[C@H](C)CN(CCC[NH+]2CCCCC2)C[C@@H]1C ZINC000639743195 371529120 /nfs/dbraw/zinc/52/91/20/371529120.db2.gz JWJRRBOOCABTDW-IYBDPMFKSA-N 2 1 267.461 2.277 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC3(C2)CC[NH+](C)CC3)CCO1 ZINC000639754571 371545361 /nfs/dbraw/zinc/54/53/61/371545361.db2.gz CITOOJDIMPVDDJ-CABCVRRESA-N 2 1 266.429 2.219 20 0 CEADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000360933132 371549386 /nfs/dbraw/zinc/54/93/86/371549386.db2.gz JTTBRGMRGFWDHK-NIFZNCRKSA-N 2 1 254.418 2.262 20 0 CEADMP CCC(C)(C)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763629 371551104 /nfs/dbraw/zinc/55/11/04/371551104.db2.gz RPIJOEASIUMTSC-OAHLLOKOSA-N 2 1 256.434 2.201 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC2=CCCCC2)C1 ZINC000639764745 371553666 /nfs/dbraw/zinc/55/36/66/371553666.db2.gz XAWQHMQAMSZXMA-INIZCTEOSA-N 2 1 266.429 2.265 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000639766310 371554938 /nfs/dbraw/zinc/55/49/38/371554938.db2.gz LTGYCZPQBKZKCX-HOTGVXAUSA-N 2 1 266.429 2.264 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCCc2ccccc2)C1 ZINC000639767332 371555248 /nfs/dbraw/zinc/55/52/48/371555248.db2.gz QQADHOUXTFKJEB-GOSISDBHSA-N 2 1 290.451 2.398 20 0 CEADMP Cn1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(C(F)F)n1 ZINC000360957317 371560935 /nfs/dbraw/zinc/56/09/35/371560935.db2.gz YYKRSYBYHVWGSL-NEPJUHHUSA-N 2 1 286.370 2.320 20 0 CEADMP CO[C@@H](C)C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000361032776 371609592 /nfs/dbraw/zinc/60/95/92/371609592.db2.gz HQXZJPNPIUTKCQ-ZDUSSCGKSA-N 2 1 292.427 2.029 20 0 CEADMP CO[C@@H](C)C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000361032776 371609599 /nfs/dbraw/zinc/60/95/99/371609599.db2.gz HQXZJPNPIUTKCQ-ZDUSSCGKSA-N 2 1 292.427 2.029 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000353311934 220021802 /nfs/dbraw/zinc/02/18/02/220021802.db2.gz HULYMXXJJDNQGJ-HRCADAONSA-N 2 1 277.412 2.376 20 0 CEADMP c1cnn(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)c1 ZINC000261611863 371677488 /nfs/dbraw/zinc/67/74/88/371677488.db2.gz DZJDXDDHVBHKDR-WBVHZDCISA-N 2 1 282.391 2.056 20 0 CEADMP COc1ccc(C[NH2+][C@](C)(C[NH3+])C(C)C)cc1F ZINC000261561589 371650250 /nfs/dbraw/zinc/65/02/50/371650250.db2.gz FZNRKWJMKJUDSV-CQSZACIVSA-N 2 1 254.349 2.297 20 0 CEADMP CCn1cc(CC[NH+]2CCC(C)([NH+]3CCCC3)CC2)cn1 ZINC000639984480 371713061 /nfs/dbraw/zinc/71/30/61/371713061.db2.gz VXXRGXZSEGEFPJ-UHFFFAOYSA-N 2 1 290.455 2.396 20 0 CEADMP C[C@H](O)CCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984510 371713098 /nfs/dbraw/zinc/71/30/98/371713098.db2.gz WWHKSCGZRXMINA-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(N)c2)C1 ZINC000261737475 371715791 /nfs/dbraw/zinc/71/57/91/371715791.db2.gz UEDZKGQCCNMBOJ-MRXNPFEDSA-N 2 1 273.424 2.433 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc(N)c2)C1 ZINC000261737475 371715799 /nfs/dbraw/zinc/71/57/99/371715799.db2.gz UEDZKGQCCNMBOJ-MRXNPFEDSA-N 2 1 273.424 2.433 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261737475 371715807 /nfs/dbraw/zinc/71/58/07/371715807.db2.gz UEDZKGQCCNMBOJ-MRXNPFEDSA-N 2 1 273.424 2.433 20 0 CEADMP COc1ccc2nc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)sc2c1 ZINC000261764356 371723926 /nfs/dbraw/zinc/72/39/26/371723926.db2.gz DEKBVWYUMNNQFT-QWRGUYRKSA-N 2 1 291.420 2.474 20 0 CEADMP COc1ccc2nc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)sc2c1 ZINC000261764356 371723930 /nfs/dbraw/zinc/72/39/30/371723930.db2.gz DEKBVWYUMNNQFT-QWRGUYRKSA-N 2 1 291.420 2.474 20 0 CEADMP CCn1cc(CC[NH+]2CCC(CC)([NH+](C)C)CC2)cn1 ZINC000640015185 371734804 /nfs/dbraw/zinc/73/48/04/371734804.db2.gz GNTJIAXANMSDNL-UHFFFAOYSA-N 2 1 278.444 2.252 20 0 CEADMP Cn1c2ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc2sc1=O ZINC000261799824 371735638 /nfs/dbraw/zinc/73/56/38/371735638.db2.gz GVVFOSIBQGPXEC-UHFFFAOYSA-N 2 1 293.436 2.017 20 0 CEADMP COc1cccc([C@H](C)[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261647583 371690691 /nfs/dbraw/zinc/69/06/91/371690691.db2.gz XSJOOPPIZYDWLC-NOLJZWGESA-N 2 1 260.381 2.440 20 0 CEADMP COc1cccc([C@H](C)[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261647583 371690693 /nfs/dbraw/zinc/69/06/93/371690693.db2.gz XSJOOPPIZYDWLC-NOLJZWGESA-N 2 1 260.381 2.440 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c(OC)c1 ZINC000261669556 371697599 /nfs/dbraw/zinc/69/75/99/371697599.db2.gz FUWXIPDCINCZAE-HUBLWGQQSA-N 2 1 278.396 2.352 20 0 CEADMP CCCC[C@H](COC)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361174130 371699049 /nfs/dbraw/zinc/69/90/49/371699049.db2.gz SSYVJOPPAUTLDW-MRXNPFEDSA-N 2 1 298.471 2.426 20 0 CEADMP COC[C@@H](CC(C)C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361182439 371701431 /nfs/dbraw/zinc/70/14/31/371701431.db2.gz ARPINVWPNPISOJ-MRXNPFEDSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@H](CNC(=[NH2+])N1CCC(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000261870576 371757388 /nfs/dbraw/zinc/75/73/88/371757388.db2.gz ORRLBDITAPSRRF-HUUCEWRRSA-N 2 1 280.460 2.363 20 0 CEADMP CC[C@]1(O)CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000640036831 371760123 /nfs/dbraw/zinc/76/01/23/371760123.db2.gz XWYTWVOORZQUMI-HNNXBMFYSA-N 2 1 265.401 2.209 20 0 CEADMP CC[C@]1(O)CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000640036831 371760128 /nfs/dbraw/zinc/76/01/28/371760128.db2.gz XWYTWVOORZQUMI-HNNXBMFYSA-N 2 1 265.401 2.209 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)CC[C@H]1[NH3+] ZINC000261953979 371783282 /nfs/dbraw/zinc/78/32/82/371783282.db2.gz OIDYBJKHAPEFKZ-BXUZGUMPSA-N 2 1 290.436 2.318 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000361327649 371784439 /nfs/dbraw/zinc/78/44/39/371784439.db2.gz ZPAHNARMAYGBLA-HUUCEWRRSA-N 2 1 256.434 2.200 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)COC(C)C ZINC000337324501 214008291 /nfs/dbraw/zinc/00/82/91/214008291.db2.gz BEQZNRLAZWBOPZ-STQMWFEESA-N 2 1 253.390 2.231 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1C ZINC000262043231 371811462 /nfs/dbraw/zinc/81/14/62/371811462.db2.gz PJLZOIUMJQXRRL-MRXNPFEDSA-N 2 1 260.381 2.189 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1C ZINC000262043231 371811465 /nfs/dbraw/zinc/81/14/65/371811465.db2.gz PJLZOIUMJQXRRL-MRXNPFEDSA-N 2 1 260.381 2.189 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000361387537 371822465 /nfs/dbraw/zinc/82/24/65/371822465.db2.gz YOLSGTLHWIKNEB-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[N@H+](CCC[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000361419242 371837258 /nfs/dbraw/zinc/83/72/58/371837258.db2.gz AGJDTBFVVYFSJU-HNNXBMFYSA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000361419242 371837265 /nfs/dbraw/zinc/83/72/65/371837265.db2.gz AGJDTBFVVYFSJU-HNNXBMFYSA-N 2 1 254.418 2.362 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000361517815 371892293 /nfs/dbraw/zinc/89/22/93/371892293.db2.gz FXFWVMZQWYOZRD-GOEBONIOSA-N 2 1 261.413 2.418 20 0 CEADMP COC1(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)CCCC1 ZINC000361550554 371913213 /nfs/dbraw/zinc/91/32/13/371913213.db2.gz SECNPTQCKUWMQS-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CCCC1 ZINC000361550554 371913216 /nfs/dbraw/zinc/91/32/16/371913216.db2.gz SECNPTQCKUWMQS-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CCCC1 ZINC000361550554 371913219 /nfs/dbraw/zinc/91/32/19/371913219.db2.gz SECNPTQCKUWMQS-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC000361550554 371913220 /nfs/dbraw/zinc/91/32/20/371913220.db2.gz SECNPTQCKUWMQS-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000361550554 371913223 /nfs/dbraw/zinc/91/32/23/371913223.db2.gz SECNPTQCKUWMQS-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H](O)C[N@@H+](CCC1CC[NH2+]CC1)C1CCCCC1 ZINC000359194348 296179383 /nfs/dbraw/zinc/17/93/83/296179383.db2.gz RYASAYVCPPBKQF-CQSZACIVSA-N 2 1 268.445 2.392 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000344123082 217061783 /nfs/dbraw/zinc/06/17/83/217061783.db2.gz IIUNLPWMNMWKMZ-ZIAGYGMSSA-N 2 1 263.385 2.053 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(=O)c(O)co1 ZINC000640532080 372021065 /nfs/dbraw/zinc/02/10/65/372021065.db2.gz VOQSUUFWORDHPY-UHFFFAOYSA-N 2 1 294.395 2.043 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)NCC1CCC1 ZINC000640531755 372022397 /nfs/dbraw/zinc/02/23/97/372022397.db2.gz QGBVDTHIMGVHEF-UHFFFAOYSA-N 2 1 295.471 2.101 20 0 CEADMP CO[C@H](C)[C@@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000268761713 372211541 /nfs/dbraw/zinc/21/15/41/372211541.db2.gz OIWWKFGCTHNRIF-HUUCEWRRSA-N 2 1 276.424 2.448 20 0 CEADMP CO[C@H](C)[C@@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000268761713 372211545 /nfs/dbraw/zinc/21/15/45/372211545.db2.gz OIWWKFGCTHNRIF-HUUCEWRRSA-N 2 1 276.424 2.448 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(F)cc2)CC[N@H+]1C ZINC000268783724 372220813 /nfs/dbraw/zinc/22/08/13/372220813.db2.gz BNCGFULUNLSPQL-JSGCOSHPSA-N 2 1 266.360 2.277 20 0 CEADMP C[C@H](CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268805359 372230473 /nfs/dbraw/zinc/23/04/73/372230473.db2.gz CGYFRLRFCKKMIU-UXLLHSPISA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H](CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268805359 372230478 /nfs/dbraw/zinc/23/04/78/372230478.db2.gz CGYFRLRFCKKMIU-UXLLHSPISA-N 2 1 276.424 2.258 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C)o2)CC1 ZINC000268970463 372304872 /nfs/dbraw/zinc/30/48/72/372304872.db2.gz HZKRPSZRCQPGMW-CQSZACIVSA-N 2 1 266.385 2.085 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c(C)n1 ZINC000269056317 372327187 /nfs/dbraw/zinc/32/71/87/372327187.db2.gz WXEVFHUNGZURQJ-WDEREUQCSA-N 2 1 250.390 2.084 20 0 CEADMP CN(C)c1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc[nH+]1 ZINC000269260061 372397712 /nfs/dbraw/zinc/39/77/12/372397712.db2.gz MDWYVXSVYNXNBK-UBHSHLNASA-N 2 1 288.395 2.007 20 0 CEADMP c1cn2c(cccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000362652274 372473045 /nfs/dbraw/zinc/47/30/45/372473045.db2.gz DAICDNBNSBQNHT-KBPBESRZSA-N 2 1 270.380 2.051 20 0 CEADMP c1cn2c(cccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000362652274 372473046 /nfs/dbraw/zinc/47/30/46/372473046.db2.gz DAICDNBNSBQNHT-KBPBESRZSA-N 2 1 270.380 2.051 20 0 CEADMP CC(C)c1cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000362558719 372424997 /nfs/dbraw/zinc/42/49/97/372424997.db2.gz AJFYNTDVAFUHHZ-TZMCWYRMSA-N 2 1 291.443 2.052 20 0 CEADMP CCCCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362700908 372493901 /nfs/dbraw/zinc/49/39/01/372493901.db2.gz DJAUDBPFLVIHHI-JKSUJKDBSA-N 2 1 267.461 2.134 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CC1CC[NH+](C)CC1 ZINC000362860681 372552272 /nfs/dbraw/zinc/55/22/72/372552272.db2.gz BLEWPZRNUUSAMI-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2scnc2C)[C@H](C)C1 ZINC000344516994 217218961 /nfs/dbraw/zinc/21/89/61/217218961.db2.gz PXXXJTQUHGHYHE-ZYHUDNBSSA-N 2 1 253.415 2.271 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2scnc2C)[C@H](C)C1 ZINC000344516994 217218963 /nfs/dbraw/zinc/21/89/63/217218963.db2.gz PXXXJTQUHGHYHE-ZYHUDNBSSA-N 2 1 253.415 2.271 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cn3ccsc3n2)[C@H]2CCC[C@H]21 ZINC000353394249 220061277 /nfs/dbraw/zinc/06/12/77/220061277.db2.gz MDWCHRNIARJRQA-HZSPNIEDSA-N 2 1 290.436 2.358 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn3ccsc3n2)[C@H]2CCC[C@H]21 ZINC000353394249 220061280 /nfs/dbraw/zinc/06/12/80/220061280.db2.gz MDWCHRNIARJRQA-HZSPNIEDSA-N 2 1 290.436 2.358 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(C)cc1C ZINC000641772837 372715794 /nfs/dbraw/zinc/71/57/94/372715794.db2.gz TWFOLBDFALPMBN-KRWDZBQOSA-N 2 1 278.440 2.486 20 0 CEADMP CCc1nc(C)c(C[N@@H+]2CCCC[C@H]2CC[NH3+])o1 ZINC000641797347 372738813 /nfs/dbraw/zinc/73/88/13/372738813.db2.gz ASBFBECPPUXWIS-LBPRGKRZSA-N 2 1 251.374 2.249 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CCCC[C@H]2CC[NH3+])o1 ZINC000641797347 372738817 /nfs/dbraw/zinc/73/88/17/372738817.db2.gz ASBFBECPPUXWIS-LBPRGKRZSA-N 2 1 251.374 2.249 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000641798295 372739581 /nfs/dbraw/zinc/73/95/81/372739581.db2.gz FBRNCPZJNDPEAE-APIJFGDWSA-N 2 1 266.429 2.454 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)sn1 ZINC000641798542 372740171 /nfs/dbraw/zinc/74/01/71/372740171.db2.gz JNVJYOXJYNPYJY-QWHCGFSZSA-N 2 1 265.426 2.355 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000641799356 372740282 /nfs/dbraw/zinc/74/02/82/372740282.db2.gz VJIYKYQGPAGBSS-MELADBBJSA-N 2 1 277.412 2.495 20 0 CEADMP CC1(C)[C@H]([NH2+]Cc2cncc(Br)c2)C[C@@H]1[NH3+] ZINC000641800826 372744113 /nfs/dbraw/zinc/74/41/13/372744113.db2.gz GPHJLCAWYQHIAC-WDEREUQCSA-N 2 1 284.201 2.060 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803080 372748445 /nfs/dbraw/zinc/74/84/45/372748445.db2.gz DGLMVRLEFAMRQW-BFHYXJOUSA-N 2 1 289.423 2.346 20 0 CEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1cccc2ccccc21 ZINC000641804030 372750519 /nfs/dbraw/zinc/75/05/19/372750519.db2.gz HHLRJXXLWDRQNX-HOTGVXAUSA-N 2 1 297.402 2.494 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@H]1CCC3(CCCC3)O1)C2 ZINC000641818400 372765304 /nfs/dbraw/zinc/76/53/04/372765304.db2.gz DFIDIBWMRIRGKK-LZWOXQAQSA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCC3(CCCC3)O1)C2 ZINC000641818400 372765310 /nfs/dbraw/zinc/76/53/10/372765310.db2.gz DFIDIBWMRIRGKK-LZWOXQAQSA-N 2 1 264.413 2.291 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccccc1Cl ZINC000641808289 372757226 /nfs/dbraw/zinc/75/72/26/372757226.db2.gz UIPYOYCBSVGAKL-TVYUQYBPSA-N 2 1 295.814 2.382 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000641797051 372735380 /nfs/dbraw/zinc/73/53/80/372735380.db2.gz QYEBZWSNODPQJH-YPMHNXCESA-N 2 1 265.401 2.495 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000641797051 372735388 /nfs/dbraw/zinc/73/53/88/372735388.db2.gz QYEBZWSNODPQJH-YPMHNXCESA-N 2 1 265.401 2.495 20 0 CEADMP C[N@@H+](Cc1cnoc1C1CC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364672908 372790388 /nfs/dbraw/zinc/79/03/88/372790388.db2.gz NGGSXQUVCUEMFE-LBPRGKRZSA-N 2 1 286.379 2.443 20 0 CEADMP C[N@H+](Cc1cnoc1C1CC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364672908 372790391 /nfs/dbraw/zinc/79/03/91/372790391.db2.gz NGGSXQUVCUEMFE-LBPRGKRZSA-N 2 1 286.379 2.443 20 0 CEADMP CCCC[C@@H](COC)[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000364599592 372768355 /nfs/dbraw/zinc/76/83/55/372768355.db2.gz AJPBSLWWCLKEPS-KBPBESRZSA-N 2 1 265.401 2.240 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000270545743 372836425 /nfs/dbraw/zinc/83/64/25/372836425.db2.gz YWTJCKWRHGXPLE-ZDUSSCGKSA-N 2 1 273.380 2.425 20 0 CEADMP Cc1cc(NC(=O)N2CCC3(CC[NH2+]3)CC2)cn2cc[nH+]c12 ZINC000333255923 205157919 /nfs/dbraw/zinc/15/79/19/205157919.db2.gz HWJXAMDURNLSFO-UHFFFAOYSA-N 2 1 299.378 2.003 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccccn3)C2)CC1 ZINC000270530670 372828431 /nfs/dbraw/zinc/82/84/31/372828431.db2.gz VLLLYEXKFKAXDS-OAHLLOKOSA-N 2 1 259.397 2.245 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344639904 217259069 /nfs/dbraw/zinc/25/90/69/217259069.db2.gz HQUQABFUSMSWAX-ZIAGYGMSSA-N 2 1 297.487 2.390 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000344655539 217264297 /nfs/dbraw/zinc/26/42/97/217264297.db2.gz GJZSHIFARWSBRF-ZNMIVQPWSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344655539 217264299 /nfs/dbraw/zinc/26/42/99/217264299.db2.gz GJZSHIFARWSBRF-ZNMIVQPWSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344655539 217264303 /nfs/dbraw/zinc/26/43/03/217264303.db2.gz GJZSHIFARWSBRF-ZNMIVQPWSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)CCOc1ccc(F)cc1 ZINC000270693774 372904576 /nfs/dbraw/zinc/90/45/76/372904576.db2.gz YKKWZDRTMJMJJQ-UHFFFAOYSA-N 2 1 277.343 2.341 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)CCOc1ccc(F)cc1 ZINC000270693774 372904585 /nfs/dbraw/zinc/90/45/85/372904585.db2.gz YKKWZDRTMJMJJQ-UHFFFAOYSA-N 2 1 277.343 2.341 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC000365624518 372909366 /nfs/dbraw/zinc/90/93/66/372909366.db2.gz SXACZAMMIPRBDB-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000365624518 372909375 /nfs/dbraw/zinc/90/93/75/372909375.db2.gz SXACZAMMIPRBDB-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000365624518 372909382 /nfs/dbraw/zinc/90/93/82/372909382.db2.gz SXACZAMMIPRBDB-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP c1[nH]nc2cc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@H]4C3)ccc12 ZINC000367467729 373158399 /nfs/dbraw/zinc/15/83/99/373158399.db2.gz UXCWDDAQVGCUJP-SOLBZPMBSA-N 2 1 296.418 2.479 20 0 CEADMP c1[nH]nc2cc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)ccc12 ZINC000367467729 373158403 /nfs/dbraw/zinc/15/84/03/373158403.db2.gz UXCWDDAQVGCUJP-SOLBZPMBSA-N 2 1 296.418 2.479 20 0 CEADMP c1[nH]nc2cc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)ccc12 ZINC000367467729 373158409 /nfs/dbraw/zinc/15/84/09/373158409.db2.gz UXCWDDAQVGCUJP-SOLBZPMBSA-N 2 1 296.418 2.479 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C12CCCC2 ZINC000643502094 373161577 /nfs/dbraw/zinc/16/15/77/373161577.db2.gz XLOVWPLDWCLSPL-SOUVJXGZSA-N 2 1 266.429 2.456 20 0 CEADMP C([NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000643502656 373162625 /nfs/dbraw/zinc/16/26/25/373162625.db2.gz MWSIUQQIZNBIOA-XUWVNRHRSA-N 2 1 266.429 2.313 20 0 CEADMP C[N@@H+](CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21)C1CCCC1 ZINC000367604373 373165606 /nfs/dbraw/zinc/16/56/06/373165606.db2.gz BDIAUOVLSWPAPZ-GVDBMIGSSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C1CCCC1 ZINC000367604373 373165612 /nfs/dbraw/zinc/16/56/12/373165612.db2.gz BDIAUOVLSWPAPZ-GVDBMIGSSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C1CCCC1 ZINC000367604373 373165619 /nfs/dbraw/zinc/16/56/19/373165619.db2.gz BDIAUOVLSWPAPZ-GVDBMIGSSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)c1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])on1 ZINC000643455266 373126004 /nfs/dbraw/zinc/12/60/04/373126004.db2.gz SSDCUSYLXVPMIM-AAEUAGOBSA-N 2 1 251.374 2.405 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457555 373127066 /nfs/dbraw/zinc/12/70/66/373127066.db2.gz MFBFCQHIWZJYBR-RCCFBDPRSA-N 2 1 287.451 2.368 20 0 CEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C1CC[NH+](C)CC1 ZINC000643511284 373170799 /nfs/dbraw/zinc/17/07/99/373170799.db2.gz PGVNBXDYEIMWQS-BBRMVZONSA-N 3 1 267.461 2.214 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC(c3ccccn3)C2)C1 ZINC000368017591 373212423 /nfs/dbraw/zinc/21/24/23/373212423.db2.gz HUENOXVHCZNHLS-WLYUNCDWSA-N 2 1 259.397 2.259 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cn1 ZINC000643523049 373178253 /nfs/dbraw/zinc/17/82/53/373178253.db2.gz VWSCECFPVIZDHT-OLZOCXBDSA-N 2 1 251.349 2.404 20 0 CEADMP CC[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@]2(CCCOC2)O1 ZINC000369531339 373445354 /nfs/dbraw/zinc/44/53/54/373445354.db2.gz KNMGKWFNFPWKKN-ZACQAIPSSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@]2(CCCOC2)O1 ZINC000369531339 373445364 /nfs/dbraw/zinc/44/53/64/373445364.db2.gz KNMGKWFNFPWKKN-ZACQAIPSSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@]2(CCCOC2)O1 ZINC000369531339 373445372 /nfs/dbraw/zinc/44/53/72/373445372.db2.gz KNMGKWFNFPWKKN-ZACQAIPSSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@]2(CCCOC2)O1 ZINC000369531339 373445384 /nfs/dbraw/zinc/44/53/84/373445384.db2.gz KNMGKWFNFPWKKN-ZACQAIPSSA-N 2 1 296.455 2.131 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000644531479 373515135 /nfs/dbraw/zinc/51/51/35/373515135.db2.gz ZDKOQBQJUVNCGP-NEPJUHHUSA-N 2 1 282.350 2.010 20 0 CEADMP O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000644552213 373526391 /nfs/dbraw/zinc/52/63/91/373526391.db2.gz HFXVUPQWRIDPTI-YVECIDJPSA-N 2 1 292.345 2.049 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000644609035 373558213 /nfs/dbraw/zinc/55/82/13/373558213.db2.gz MUVFVMPAMWFEHA-RHSMWYFYSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000644609035 373558221 /nfs/dbraw/zinc/55/82/21/373558221.db2.gz MUVFVMPAMWFEHA-RHSMWYFYSA-N 2 1 276.424 2.258 20 0 CEADMP CCOC(=O)[C@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000371258037 373824221 /nfs/dbraw/zinc/82/42/21/373824221.db2.gz KJWCQPXCGINLKS-OAHLLOKOSA-N 2 1 293.411 2.389 20 0 CEADMP CCOC(=O)[C@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000371258037 373824227 /nfs/dbraw/zinc/82/42/27/373824227.db2.gz KJWCQPXCGINLKS-OAHLLOKOSA-N 2 1 293.411 2.389 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCc1ccccc1 ZINC000371300365 373833896 /nfs/dbraw/zinc/83/38/96/373833896.db2.gz ORCRHZRRBJRRDG-KZNAEPCWSA-N 2 1 288.435 2.413 20 0 CEADMP CCC[C@H]1CN(c2cc[nH+]c(C)c2)CC[N@H+]1CCOC ZINC000274912147 374093005 /nfs/dbraw/zinc/09/30/05/374093005.db2.gz NJVQOMPJTCPHCR-INIZCTEOSA-N 2 1 277.412 2.327 20 0 CEADMP COC(=O)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000275051542 374140314 /nfs/dbraw/zinc/14/03/14/374140314.db2.gz SZNWNWMKPMUHHR-CZUORRHYSA-N 2 1 290.407 2.245 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000275051542 374140321 /nfs/dbraw/zinc/14/03/21/374140321.db2.gz SZNWNWMKPMUHHR-CZUORRHYSA-N 2 1 290.407 2.245 20 0 CEADMP COC(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000275051542 374140327 /nfs/dbraw/zinc/14/03/27/374140327.db2.gz SZNWNWMKPMUHHR-CZUORRHYSA-N 2 1 290.407 2.245 20 0 CEADMP COC(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000275051542 374140332 /nfs/dbraw/zinc/14/03/32/374140332.db2.gz SZNWNWMKPMUHHR-CZUORRHYSA-N 2 1 290.407 2.245 20 0 CEADMP COc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000275253777 374197069 /nfs/dbraw/zinc/19/70/69/374197069.db2.gz IXJPRVLXHJMPGW-ZFWWWQNUSA-N 2 1 292.423 2.476 20 0 CEADMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000275253777 374197095 /nfs/dbraw/zinc/19/70/95/374197095.db2.gz IXJPRVLXHJMPGW-ZFWWWQNUSA-N 2 1 292.423 2.476 20 0 CEADMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000275253777 374197104 /nfs/dbraw/zinc/19/71/04/374197104.db2.gz IXJPRVLXHJMPGW-ZFWWWQNUSA-N 2 1 292.423 2.476 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)CS1 ZINC000372848289 374211374 /nfs/dbraw/zinc/21/13/74/374211374.db2.gz QMZJCPGYPPZSMV-XQQFMLRXSA-N 2 1 265.426 2.318 20 0 CEADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000373018018 374244078 /nfs/dbraw/zinc/24/40/78/374244078.db2.gz IJJLVFQKMRLZFF-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP COC1(C[C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000373023540 374245839 /nfs/dbraw/zinc/24/58/39/374245839.db2.gz WOCQZFNBBCNTDY-KBPBESRZSA-N 2 1 277.412 2.383 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(CO)c1 ZINC000373189954 374286976 /nfs/dbraw/zinc/28/69/76/374286976.db2.gz HAZCVQGYGMUBMS-JQFCIGGWSA-N 2 1 274.408 2.456 20 0 CEADMP CC(C)[NH2+]CCN1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000373375028 374339643 /nfs/dbraw/zinc/33/96/43/374339643.db2.gz CZFQFQHQMBCZGY-HNNXBMFYSA-N 3 1 279.472 2.181 20 0 CEADMP CN(CC[N@@H+](C)Cc1cccs1)C1CC[NH+](C)CC1 ZINC000277070642 374394952 /nfs/dbraw/zinc/39/49/52/374394952.db2.gz XAGOANAFFYPTNO-UHFFFAOYSA-N 2 1 281.469 2.206 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000374192566 374507743 /nfs/dbraw/zinc/50/77/43/374507743.db2.gz HBNXUNWNPUQSEO-JKSUJKDBSA-N 2 1 276.428 2.489 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000374192566 374507750 /nfs/dbraw/zinc/50/77/50/374507750.db2.gz HBNXUNWNPUQSEO-JKSUJKDBSA-N 2 1 276.428 2.489 20 0 CEADMP c1nc(C2CCN(Cc3cn4ccccc4n3)CC2)c[nH]1 ZINC000374201333 374509932 /nfs/dbraw/zinc/50/99/32/374509932.db2.gz UQTKTBNLZFLWHZ-UHFFFAOYSA-N 2 1 281.363 2.437 20 0 CEADMP CCCCOCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000375839886 374683817 /nfs/dbraw/zinc/68/38/17/374683817.db2.gz NWRCUDBXHWBKJC-ZACQAIPSSA-N 2 1 298.471 2.282 20 0 CEADMP CO[C@@H](C)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000376873781 374750571 /nfs/dbraw/zinc/75/05/71/374750571.db2.gz YKAKOEHWOQFNRE-HNNXBMFYSA-N 2 1 291.439 2.055 20 0 CEADMP CO[C@@H](C)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000376873781 374750585 /nfs/dbraw/zinc/75/05/85/374750585.db2.gz YKAKOEHWOQFNRE-HNNXBMFYSA-N 2 1 291.439 2.055 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000376738584 374724657 /nfs/dbraw/zinc/72/46/57/374724657.db2.gz FUKZWBRDLRSULL-KKUMJFAQSA-N 2 1 277.412 2.240 20 0 CEADMP Cc1nccn1CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000376793599 374735686 /nfs/dbraw/zinc/73/56/86/374735686.db2.gz HXFYIWTYKVHWAM-KRWDZBQOSA-N 2 1 290.455 2.389 20 0 CEADMP C[N@H+]1CC[C@H](NCc2cscn2)[C@@H]2CCC[C@@H]21 ZINC000377124217 374796308 /nfs/dbraw/zinc/79/63/08/374796308.db2.gz DFRMTLGSAFDGAB-AVGNSLFASA-N 2 1 251.399 2.106 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]CCCc2ccc(C)nc2)C1 ZINC000684372439 541986738 /nfs/dbraw/zinc/98/67/38/541986738.db2.gz WNEFSXBTHATRMQ-MRXNPFEDSA-N 2 1 261.413 2.254 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000377737102 374938272 /nfs/dbraw/zinc/93/82/72/374938272.db2.gz MOSOZGUBFCYLCS-OAHLLOKOSA-N 2 1 264.417 2.170 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000377737102 374938281 /nfs/dbraw/zinc/93/82/81/374938281.db2.gz MOSOZGUBFCYLCS-OAHLLOKOSA-N 2 1 264.417 2.170 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1 ZINC000684382901 541989530 /nfs/dbraw/zinc/98/95/30/541989530.db2.gz ZBGUXIPXZXYRDE-DLBZAZTESA-N 2 1 298.471 2.423 20 0 CEADMP Cc1ccc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000378354698 375081351 /nfs/dbraw/zinc/08/13/51/375081351.db2.gz KZGLGLRTLMMCHP-OAHLLOKOSA-N 2 1 293.480 2.268 20 0 CEADMP Cc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000378354698 375081361 /nfs/dbraw/zinc/08/13/61/375081361.db2.gz KZGLGLRTLMMCHP-OAHLLOKOSA-N 2 1 293.480 2.268 20 0 CEADMP C[NH+](C)C(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000378296041 375063819 /nfs/dbraw/zinc/06/38/19/375063819.db2.gz UHXQEKNSIFWPIR-BFHYXJOUSA-N 2 1 266.429 2.264 20 0 CEADMP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000380897452 375167267 /nfs/dbraw/zinc/16/72/67/375167267.db2.gz APHDGFTWKJQPDG-KSZLIROESA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000380897452 375167274 /nfs/dbraw/zinc/16/72/74/375167274.db2.gz APHDGFTWKJQPDG-KSZLIROESA-N 3 1 287.451 2.368 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000380897452 375167280 /nfs/dbraw/zinc/16/72/80/375167280.db2.gz APHDGFTWKJQPDG-KSZLIROESA-N 3 1 287.451 2.368 20 0 CEADMP C[N@@H+]1CCCC12CCN(c1[nH+]cnc3[nH]ccc31)CC2 ZINC000378508227 375118141 /nfs/dbraw/zinc/11/81/41/375118141.db2.gz ZXLKHBBLFCZPPH-UHFFFAOYSA-N 2 1 271.368 2.023 20 0 CEADMP C[N@H+]1CCCC12CCN(c1[nH+]cnc3[nH]ccc31)CC2 ZINC000378508227 375118145 /nfs/dbraw/zinc/11/81/45/375118145.db2.gz ZXLKHBBLFCZPPH-UHFFFAOYSA-N 2 1 271.368 2.023 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CCC1 ZINC000378546262 375124659 /nfs/dbraw/zinc/12/46/59/375124659.db2.gz PXUUXQMQCMKJRI-ARFHVFGLSA-N 2 1 296.455 2.035 20 0 CEADMP CC(C)(N)c1noc(CN(Cc2ccccc2)C2CC2)n1 ZINC000383544849 375203782 /nfs/dbraw/zinc/20/37/82/375203782.db2.gz FPCRXQNFYJTKEC-UHFFFAOYSA-N 2 1 286.379 2.428 20 0 CEADMP CC(C)(O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280461978 375209764 /nfs/dbraw/zinc/20/97/64/375209764.db2.gz OLENQHUUSVMHCC-CALCHBBNSA-N 2 1 288.435 2.211 20 0 CEADMP CC(C)(O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280461978 375209771 /nfs/dbraw/zinc/20/97/71/375209771.db2.gz OLENQHUUSVMHCC-CALCHBBNSA-N 2 1 288.435 2.211 20 0 CEADMP CC(C)(O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280461978 375209775 /nfs/dbraw/zinc/20/97/75/375209775.db2.gz OLENQHUUSVMHCC-CALCHBBNSA-N 2 1 288.435 2.211 20 0 CEADMP Cc1cnccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000384929788 375223026 /nfs/dbraw/zinc/22/30/26/375223026.db2.gz HEJFIHPIUYOLNC-HOTGVXAUSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cnccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000384929788 375223031 /nfs/dbraw/zinc/22/30/31/375223031.db2.gz HEJFIHPIUYOLNC-HOTGVXAUSA-N 2 1 259.397 2.354 20 0 CEADMP C[N@H+](CCN[C@@H]1CCCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000386963358 375269934 /nfs/dbraw/zinc/26/99/34/375269934.db2.gz ZNJCQZWDKCONHY-DLBZAZTESA-N 2 1 275.440 2.226 20 0 CEADMP C[N@@H+](CCN[C@@H]1CCCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000386963358 375269941 /nfs/dbraw/zinc/26/99/41/375269941.db2.gz ZNJCQZWDKCONHY-DLBZAZTESA-N 2 1 275.440 2.226 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]Cc2cccc(F)c2F)CC1(C)C ZINC000282244764 375437164 /nfs/dbraw/zinc/43/71/64/375437164.db2.gz GERJMDXBQLAXOA-UHFFFAOYSA-N 2 1 297.393 2.080 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000414172334 375800360 /nfs/dbraw/zinc/80/03/60/375800360.db2.gz DWVYZPPXACNYPF-XUWVNRHRSA-N 2 1 278.440 2.266 20 0 CEADMP CCC[C@]1(CO)CCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414760564 375953027 /nfs/dbraw/zinc/95/30/27/375953027.db2.gz QXKCUJUBMJTZKD-RRFJBIMHSA-N 2 1 254.418 2.002 20 0 CEADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1SC ZINC000414797969 375981778 /nfs/dbraw/zinc/98/17/78/375981778.db2.gz PXOXWIFUXVFINJ-GFCCVEGCSA-N 2 1 268.426 2.490 20 0 CEADMP COc1cc(C[NH2+]C2CC[NH2+]CC2)c(SC)cc1OC ZINC000414781323 375965886 /nfs/dbraw/zinc/96/58/86/375965886.db2.gz CKBNZJAGJNJYTL-UHFFFAOYSA-N 2 1 296.436 2.267 20 0 CEADMP COCc1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414783162 375967776 /nfs/dbraw/zinc/96/77/76/375967776.db2.gz PLOMCRUFTZTCLX-STQMWFEESA-N 2 1 295.452 2.111 20 0 CEADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1CC[NH2+]CC1 ZINC000414793935 375978128 /nfs/dbraw/zinc/97/81/28/375978128.db2.gz UWZJNZFAQRUVMV-UHFFFAOYSA-N 2 1 298.434 2.390 20 0 CEADMP CC[N@@H+](CCC[NH3+])[C@H](C)Cc1ccc(OC)cc1 ZINC000414683293 375916212 /nfs/dbraw/zinc/91/62/12/375916212.db2.gz ZWQLNGDKJWWTAH-CYBMUJFWSA-N 2 1 250.386 2.297 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)CC[NH2+]1 ZINC000414694803 375922309 /nfs/dbraw/zinc/92/23/09/375922309.db2.gz FZFZRRWBKIQWEP-OWCLPIDISA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000414694803 375922314 /nfs/dbraw/zinc/92/23/14/375922314.db2.gz FZFZRRWBKIQWEP-OWCLPIDISA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+](C)CC[C@H]2CCCC[N@H+]2C)CC[NH2+]1 ZINC000414694803 375922319 /nfs/dbraw/zinc/92/23/19/375922319.db2.gz FZFZRRWBKIQWEP-OWCLPIDISA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+](C)CC[C@H]2CCCCN2C)CC[NH2+]1 ZINC000414694803 375922326 /nfs/dbraw/zinc/92/23/26/375922326.db2.gz FZFZRRWBKIQWEP-OWCLPIDISA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC[C@H]2CCCCN2C)CC[NH2+]1 ZINC000414694803 375922333 /nfs/dbraw/zinc/92/23/33/375922333.db2.gz FZFZRRWBKIQWEP-OWCLPIDISA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@H]2c2ncc[nH]2)CC[NH2+]1 ZINC000414702032 375927868 /nfs/dbraw/zinc/92/78/68/375927868.db2.gz WVYOSLGAMREYDR-RDBSUJKOSA-N 2 1 262.401 2.325 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](CCC[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000414732928 375942884 /nfs/dbraw/zinc/94/28/84/375942884.db2.gz JAUWKTCWZHZBSJ-RDJZCZTQSA-N 3 1 275.440 2.226 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1C ZINC000414743226 375947605 /nfs/dbraw/zinc/94/76/05/375947605.db2.gz OMANBLHTPSRAKI-JONQDZQNSA-N 3 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1C ZINC000414743226 375947610 /nfs/dbraw/zinc/94/76/10/375947610.db2.gz OMANBLHTPSRAKI-JONQDZQNSA-N 3 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1C ZINC000414743226 375947615 /nfs/dbraw/zinc/94/76/15/375947615.db2.gz OMANBLHTPSRAKI-JONQDZQNSA-N 3 1 267.461 2.179 20 0 CEADMP CCN1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1C ZINC000414743226 375947620 /nfs/dbraw/zinc/94/76/20/375947620.db2.gz OMANBLHTPSRAKI-JONQDZQNSA-N 2 1 267.461 2.179 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1C ZINC000414743226 375947625 /nfs/dbraw/zinc/94/76/25/375947625.db2.gz OMANBLHTPSRAKI-JONQDZQNSA-N 2 1 267.461 2.179 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)C1CC1 ZINC000414815037 376001271 /nfs/dbraw/zinc/00/12/71/376001271.db2.gz ZUZHGUOWOCFBRE-HNNXBMFYSA-N 2 1 284.363 2.096 20 0 CEADMP C[C@@H]([NH2+]Cc1cncc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000414818250 376003899 /nfs/dbraw/zinc/00/38/99/376003899.db2.gz DISQQHOWBRYZLT-ZYHUDNBSSA-N 2 1 298.228 2.322 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC[C@H](C)[NH3+])C1 ZINC000414818758 376004158 /nfs/dbraw/zinc/00/41/58/376004158.db2.gz FVJFVEQBRUBGOO-SQWLQELKSA-N 2 1 261.413 2.149 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC000414818758 376004168 /nfs/dbraw/zinc/00/41/68/376004168.db2.gz FVJFVEQBRUBGOO-SQWLQELKSA-N 2 1 261.413 2.149 20 0 CEADMP Cn1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(C(C)(C)C)n1 ZINC000414896295 376010391 /nfs/dbraw/zinc/01/03/91/376010391.db2.gz BJSQPPHSFQEMQU-MRXNPFEDSA-N 2 1 278.444 2.197 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415034275 376016603 /nfs/dbraw/zinc/01/66/03/376016603.db2.gz CNHAQUJFDCYOIB-ZIAGYGMSSA-N 2 1 282.428 2.040 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414802229 375987099 /nfs/dbraw/zinc/98/70/99/375987099.db2.gz VFIUTNQPUFMNKU-IAGOWNOFSA-N 2 1 292.423 2.317 20 0 CEADMP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000414805527 375991471 /nfs/dbraw/zinc/99/14/71/375991471.db2.gz YURCREABLULOJR-HNNXBMFYSA-N 2 1 288.395 2.158 20 0 CEADMP COCCOCc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000289701590 376452943 /nfs/dbraw/zinc/45/29/43/376452943.db2.gz KPVDDJFSPSOVJT-UHFFFAOYSA-N 2 1 292.423 2.033 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000556921232 376517366 /nfs/dbraw/zinc/51/73/66/376517366.db2.gz UZECOZIWDBDEGX-YHUYYLMFSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000556921232 376517374 /nfs/dbraw/zinc/51/73/74/376517374.db2.gz UZECOZIWDBDEGX-YHUYYLMFSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000556921232 376517379 /nfs/dbraw/zinc/51/73/79/376517379.db2.gz UZECOZIWDBDEGX-YHUYYLMFSA-N 3 1 267.461 2.179 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000556921231 376517537 /nfs/dbraw/zinc/51/75/37/376517537.db2.gz UZECOZIWDBDEGX-XUWVNRHRSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000556921231 376517541 /nfs/dbraw/zinc/51/75/41/376517541.db2.gz UZECOZIWDBDEGX-XUWVNRHRSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000556921231 376517548 /nfs/dbraw/zinc/51/75/48/376517548.db2.gz UZECOZIWDBDEGX-XUWVNRHRSA-N 3 1 267.461 2.179 20 0 CEADMP CN(C)c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000263863969 190082356 /nfs/dbraw/zinc/08/23/56/190082356.db2.gz XSQLTFNHAQHJFV-JKSUJKDBSA-N 2 1 273.424 2.469 20 0 CEADMP CCC(CC)[N@H+](Cc1noc(CN)n1)CC(C)C ZINC000305905271 376532680 /nfs/dbraw/zinc/53/26/80/376532680.db2.gz BJFDMVLMJRVLPP-UHFFFAOYSA-N 2 1 254.378 2.175 20 0 CEADMP CCC(CC)N(Cc1noc(CN)n1)CC(C)C ZINC000305905271 376532688 /nfs/dbraw/zinc/53/26/88/376532688.db2.gz BJFDMVLMJRVLPP-UHFFFAOYSA-N 2 1 254.378 2.175 20 0 CEADMP C[C@H](C[N@H+](C)Cc1ccccc1)Nc1cc[nH+]c(N(C)C)n1 ZINC000309653334 376600485 /nfs/dbraw/zinc/60/04/85/376600485.db2.gz ASOMPRHKTOGXCO-CQSZACIVSA-N 2 1 299.422 2.475 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc[nH+]c(N(C)C)n1 ZINC000309653334 376600496 /nfs/dbraw/zinc/60/04/96/376600496.db2.gz ASOMPRHKTOGXCO-CQSZACIVSA-N 2 1 299.422 2.475 20 0 CEADMP c1ccc(COCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000309727374 376602249 /nfs/dbraw/zinc/60/22/49/376602249.db2.gz QFTMQRRRCQLTDP-SJORKVTESA-N 2 1 274.408 2.277 20 0 CEADMP CC(C)c1cc(N2CCC[C@H]([C@@H](C)[NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420194870 376604695 /nfs/dbraw/zinc/60/46/95/376604695.db2.gz VJPMEMMHQDJVEV-OLZOCXBDSA-N 2 1 291.443 2.230 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2Cc3ccccc3C2)CC[N@H+]1C ZINC000334319778 206362608 /nfs/dbraw/zinc/36/26/08/206362608.db2.gz UWORCHVNGAKVHC-CXAGYDPISA-N 2 1 258.409 2.474 20 0 CEADMP COCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000310915704 376645041 /nfs/dbraw/zinc/64/50/41/376645041.db2.gz FBAGXXFHMMHCPR-AGUYFDCRSA-N 2 1 252.402 2.018 20 0 CEADMP C=Cn1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000290308502 376727669 /nfs/dbraw/zinc/72/76/69/376727669.db2.gz BXYWXFYNFXKFOP-INIZCTEOSA-N 2 1 274.412 2.147 20 0 CEADMP COc1ccsc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000290198945 376683474 /nfs/dbraw/zinc/68/34/74/376683474.db2.gz PLJIJVPOVOSRJE-UHFFFAOYSA-N 2 1 299.484 2.072 20 0 CEADMP Fc1cccc(F)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311731490 376684316 /nfs/dbraw/zinc/68/43/16/376684316.db2.gz RCQNTTBMDYSOHH-TXEJJXNPSA-N 2 1 266.335 2.396 20 0 CEADMP c1ccc(OCCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000311864950 376691294 /nfs/dbraw/zinc/69/12/94/376691294.db2.gz KVYQNWZHIMEOQJ-GDBMZVCRSA-N 2 1 260.381 2.139 20 0 CEADMP CCO[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000559949918 376702349 /nfs/dbraw/zinc/70/23/49/376702349.db2.gz SBHZULDRCCZZET-HUUCEWRRSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]1CCC[C@](C[NH2+]CCCc2cnn(C)c2)([NH+](C)C)C1 ZINC000314968433 376790844 /nfs/dbraw/zinc/79/08/44/376790844.db2.gz WGXDINDVZYDITN-RDJZCZTQSA-N 2 1 292.471 2.453 20 0 CEADMP CC(C)(C)c1ncc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000314397411 376772132 /nfs/dbraw/zinc/77/21/32/376772132.db2.gz VXBRTKVQQUMGRS-CYBMUJFWSA-N 2 1 288.439 2.348 20 0 CEADMP CC(C)(C)c1ncc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000314397411 376772138 /nfs/dbraw/zinc/77/21/38/376772138.db2.gz VXBRTKVQQUMGRS-CYBMUJFWSA-N 2 1 288.439 2.348 20 0 CEADMP CO[C@H](C)C[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685447530 542139978 /nfs/dbraw/zinc/13/99/78/542139978.db2.gz RWTBBTBTAJOJKO-CQSZACIVSA-N 2 1 280.412 2.094 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCCCC1 ZINC000319605095 376817367 /nfs/dbraw/zinc/81/73/67/376817367.db2.gz JYNDSBDZUKTKAI-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc2c1OCO2 ZINC000290559581 376833739 /nfs/dbraw/zinc/83/37/39/376833739.db2.gz SHUXXYKBEWGCLD-GXTWGEPZSA-N 2 1 276.380 2.187 20 0 CEADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cccc2c1OCO2 ZINC000290559581 376833742 /nfs/dbraw/zinc/83/37/42/376833742.db2.gz SHUXXYKBEWGCLD-GXTWGEPZSA-N 2 1 276.380 2.187 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000422960913 376886570 /nfs/dbraw/zinc/88/65/70/376886570.db2.gz ABKXHUAQWSWFGM-KFWWJZLASA-N 2 1 277.412 2.276 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422995610 376911923 /nfs/dbraw/zinc/91/19/23/376911923.db2.gz KMLARQHAEGFEPG-BBWFWOEESA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423082811 376976630 /nfs/dbraw/zinc/97/66/30/376976630.db2.gz XTRSDLZKWWJTKX-RKTXRCNFSA-N 2 1 274.408 2.352 20 0 CEADMP C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1c[nH+]ccc1N ZINC000423083398 376977021 /nfs/dbraw/zinc/97/70/21/376977021.db2.gz YURJSVZKIKMZDF-MLGOLLRUSA-N 2 1 277.412 2.476 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC[C@@H]2O)C[C@@H]1C ZINC000562554672 376932351 /nfs/dbraw/zinc/93/23/51/376932351.db2.gz SKZFGPOXBRRCHH-VGWMRTNUSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCC[C@@H]2O)C[C@@H]1C ZINC000562554672 376932361 /nfs/dbraw/zinc/93/23/61/376932361.db2.gz SKZFGPOXBRRCHH-VGWMRTNUSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCC[C@@H]2O)C[C@@H]1C ZINC000562554672 376932366 /nfs/dbraw/zinc/93/23/66/376932366.db2.gz SKZFGPOXBRRCHH-VGWMRTNUSA-N 2 1 268.445 2.342 20 0 CEADMP C[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC000423018412 376933730 /nfs/dbraw/zinc/93/37/30/376933730.db2.gz YVRHIIJUJOLLLD-ZFHLEULCSA-N 2 1 285.435 2.304 20 0 CEADMP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC000423018412 376933738 /nfs/dbraw/zinc/93/37/38/376933738.db2.gz YVRHIIJUJOLLLD-ZFHLEULCSA-N 2 1 285.435 2.304 20 0 CEADMP C[C@H]([NH2+]CCc1nn(C)c2ccccc12)[C@@H]1CCCC[NH2+]1 ZINC000423057307 376952248 /nfs/dbraw/zinc/95/22/48/376952248.db2.gz ZGCBMOVDXNGRQM-ZFWWWQNUSA-N 2 1 286.423 2.236 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000423064568 376953219 /nfs/dbraw/zinc/95/32/19/376953219.db2.gz RTKZWUFZRARIJE-CYDGBPFRSA-N 2 1 294.361 2.200 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423075715 376969226 /nfs/dbraw/zinc/96/92/26/376969226.db2.gz XQTWLQUJCNKLDB-WCQYABFASA-N 2 1 284.350 2.418 20 0 CEADMP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1F ZINC000423117105 377012924 /nfs/dbraw/zinc/01/29/24/377012924.db2.gz SZQVPPPOQOXZIK-AVGNSLFASA-N 2 1 264.344 2.032 20 0 CEADMP CC[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423120024 377015787 /nfs/dbraw/zinc/01/57/87/377015787.db2.gz FQROAEGLYZGWBQ-OWSLCNJRSA-N 2 1 288.435 2.273 20 0 CEADMP C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000423121749 377016638 /nfs/dbraw/zinc/01/66/38/377016638.db2.gz IUMDXRZTNQRQMB-DDIVZENXSA-N 2 1 264.344 2.235 20 0 CEADMP COc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000423151282 377052507 /nfs/dbraw/zinc/05/25/07/377052507.db2.gz CIQMMZIHTLKNAH-FOSCPWQOSA-N 2 1 281.787 2.116 20 0 CEADMP Cc1cccc2c1OC[C@H]([NH2+][C@H](C)c1c[nH+]ccc1N)C2 ZINC000423138015 377037233 /nfs/dbraw/zinc/03/72/33/377037233.db2.gz ITGNDFAIGVVLKU-TZMCWYRMSA-N 2 1 283.375 2.457 20 0 CEADMP CC[C@H]([NH2+][C@H]1COc2c(C)cccc2C1)[C@@H]1CCC[NH2+]1 ZINC000423140007 377040075 /nfs/dbraw/zinc/04/00/75/377040075.db2.gz LXANSOHTOOSIAS-PMPSAXMXSA-N 2 1 274.408 2.419 20 0 CEADMP C1=C(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCC1 ZINC000423143906 377042645 /nfs/dbraw/zinc/04/26/45/377042645.db2.gz FLRVNKQYFDYKGC-XHSDSOJGSA-N 2 1 264.413 2.234 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423108357 377001166 /nfs/dbraw/zinc/00/11/66/377001166.db2.gz LYNSDOIVDIFOHS-BBRMVZONSA-N 2 1 290.455 2.374 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423108357 377001168 /nfs/dbraw/zinc/00/11/68/377001168.db2.gz LYNSDOIVDIFOHS-BBRMVZONSA-N 2 1 290.455 2.374 20 0 CEADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000423193420 377108459 /nfs/dbraw/zinc/10/84/59/377108459.db2.gz QQZUMSGYXUPRDE-KKUMJFAQSA-N 2 1 282.428 2.230 20 0 CEADMP C[C@H]([C@@H]1CCC[NH2+]1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000423166702 377072558 /nfs/dbraw/zinc/07/25/58/377072558.db2.gz VUTPNOWDHABXBW-RDBSUJKOSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@H]([C@@H]1CCC[NH2+]1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000423166702 377072559 /nfs/dbraw/zinc/07/25/59/377072559.db2.gz VUTPNOWDHABXBW-RDBSUJKOSA-N 2 1 254.443 2.346 20 0 CEADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000423168631 377074871 /nfs/dbraw/zinc/07/48/71/377074871.db2.gz UWXPCPDVSLDMFI-MKBNYLNASA-N 2 1 280.387 2.495 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@H+]1CCCC1(C)C ZINC000423168933 377075094 /nfs/dbraw/zinc/07/50/94/377075094.db2.gz VLTHSJDTRPPCQA-WBVHZDCISA-N 2 1 289.467 2.409 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@H+]1CCCC1(C)C ZINC000423168932 377075154 /nfs/dbraw/zinc/07/51/54/377075154.db2.gz VLTHSJDTRPPCQA-RDJZCZTQSA-N 2 1 289.467 2.409 20 0 CEADMP [NH3+]CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423183638 377097319 /nfs/dbraw/zinc/09/73/19/377097319.db2.gz LJFVLMQMOLLBTP-OKZBNKHCSA-N 2 1 287.451 2.226 20 0 CEADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000563135970 377102564 /nfs/dbraw/zinc/10/25/64/377102564.db2.gz PVWZHADJMYRWBW-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000563129966 377102987 /nfs/dbraw/zinc/10/29/87/377102987.db2.gz GOMPZWSLWZDINS-HNNXBMFYSA-N 2 1 274.408 2.225 20 0 CEADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423213668 377128916 /nfs/dbraw/zinc/12/89/16/377128916.db2.gz KJOUMOZUMPIQTJ-SDDRHHMPSA-N 2 1 251.349 2.259 20 0 CEADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423213669 377129556 /nfs/dbraw/zinc/12/95/56/377129556.db2.gz KJOUMOZUMPIQTJ-SRVKXCTJSA-N 2 1 251.349 2.259 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(F)cn1 ZINC000423212974 377129670 /nfs/dbraw/zinc/12/96/70/377129670.db2.gz JKYKDROSQUJEKJ-WOPDTQHZSA-N 2 1 281.375 2.268 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2ccnc2)C[C@H]1C ZINC000563243499 377141442 /nfs/dbraw/zinc/14/14/42/377141442.db2.gz QZAMYOGCIWAZGH-ILXRZTDVSA-N 2 1 292.427 2.165 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@](C)(O)C[NH2+]C)CC[C@@H]1c1ccccc1 ZINC000563269690 377150359 /nfs/dbraw/zinc/15/03/59/377150359.db2.gz NVWBBXRSJWUGLE-NJAFHUGGSA-N 2 1 290.451 2.473 20 0 CEADMP CC[NH2+]CC[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000423232353 377150666 /nfs/dbraw/zinc/15/06/66/377150666.db2.gz IFMTZKUMFINOPM-LLVKDONJSA-N 2 1 256.340 2.485 20 0 CEADMP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000423235003 377152873 /nfs/dbraw/zinc/15/28/73/377152873.db2.gz GCPKXUKVCHUBNK-IAOVAPTHSA-N 2 1 275.440 2.350 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C12CCCC2 ZINC000423245176 377164076 /nfs/dbraw/zinc/16/40/76/377164076.db2.gz YGXAFKRPMJOFDV-MGPQQGTHSA-N 2 1 252.402 2.066 20 0 CEADMP C[C@H](N[C@@H](C[NH3+])C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423274094 377197364 /nfs/dbraw/zinc/19/73/64/377197364.db2.gz JUJCXAQQKZGASX-WBAXXEDZSA-N 2 1 287.451 2.224 20 0 CEADMP CC[NH2+]CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423247435 377166484 /nfs/dbraw/zinc/16/64/84/377166484.db2.gz PHOVAYWTTVORFB-WBVHZDCISA-N 2 1 275.440 2.096 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423259196 377179345 /nfs/dbraw/zinc/17/93/45/377179345.db2.gz DFGOXIPUCSCLOF-IUODEOHRSA-N 2 1 250.386 2.203 20 0 CEADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 ZINC000423265133 377182084 /nfs/dbraw/zinc/18/20/84/377182084.db2.gz ATVCFGRBLVIXPJ-CFVMTHIKSA-N 2 1 282.428 2.215 20 0 CEADMP CC(C)[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CCCO1 ZINC000563363649 377186558 /nfs/dbraw/zinc/18/65/58/377186558.db2.gz JGRXPTHHVMWRME-OAHLLOKOSA-N 2 1 265.401 2.100 20 0 CEADMP CC(C)[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCCO1 ZINC000563363649 377186564 /nfs/dbraw/zinc/18/65/64/377186564.db2.gz JGRXPTHHVMWRME-OAHLLOKOSA-N 2 1 265.401 2.100 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000423268155 377187784 /nfs/dbraw/zinc/18/77/84/377187784.db2.gz GFIIBVMBTQUOTQ-IUODEOHRSA-N 2 1 277.412 2.022 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000423269997 377188998 /nfs/dbraw/zinc/18/89/98/377188998.db2.gz WFHHPORYLPEERL-AAEUAGOBSA-N 2 1 291.395 2.042 20 0 CEADMP COC[C@H]([NH2+]CC[NH2+]C1CCCCCC1)C1CC1 ZINC000423281744 377209259 /nfs/dbraw/zinc/20/92/59/377209259.db2.gz UQMBRUMYZZJZHR-HNNXBMFYSA-N 2 1 254.418 2.313 20 0 CEADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1F ZINC000423281349 377210573 /nfs/dbraw/zinc/21/05/73/377210573.db2.gz UIAPDASSAYXMMG-NOZJJQNGSA-N 2 1 252.333 2.222 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000423284373 377211814 /nfs/dbraw/zinc/21/18/14/377211814.db2.gz YFTIVFQNRUKGBU-MNOVXSKESA-N 2 1 254.349 2.340 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC[NH2+]C1CCCCCC1 ZINC000423283778 377212312 /nfs/dbraw/zinc/21/23/12/377212312.db2.gz WFRGXOOFNAYOOR-ZBFHGGJFSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCC[NH2+]C1CCCCCC1 ZINC000423285177 377214326 /nfs/dbraw/zinc/21/43/26/377214326.db2.gz XTYJPGWIIQQAST-YOEHRIQHSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(F)cc1N(C)C ZINC000423287919 377217619 /nfs/dbraw/zinc/21/76/19/377217619.db2.gz PIKUIESHBKEKEG-JTQLQIEISA-N 2 1 253.365 2.280 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OCC[NH+](C)C)cc1 ZINC000423289571 377220381 /nfs/dbraw/zinc/22/03/81/377220381.db2.gz XPPHJWLQJOZCME-CYBMUJFWSA-N 3 1 279.428 2.015 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000291995699 377220737 /nfs/dbraw/zinc/22/07/37/377220737.db2.gz AKEKLQILKNATLX-KGLIPLIRSA-N 2 1 291.439 2.379 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1COc2ccc(OC)cc2C1 ZINC000423296918 377224172 /nfs/dbraw/zinc/22/41/72/377224172.db2.gz HZJMEWJJYBTKLX-ZIAGYGMSSA-N 2 1 278.396 2.106 20 0 CEADMP Cc1c([C@H](C)[NH2+]CC2C[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423299105 377228018 /nfs/dbraw/zinc/22/80/18/377228018.db2.gz BHXFRJJVCUZQHC-NSHDSACASA-N 2 1 288.370 2.190 20 0 CEADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)c(Br)c1 ZINC000423301908 377230649 /nfs/dbraw/zinc/23/06/49/377230649.db2.gz IOYOZIXGYXGHCJ-QMMMGPOBSA-N 2 1 287.176 2.458 20 0 CEADMP CCOc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)cc1OCC ZINC000423308331 377236758 /nfs/dbraw/zinc/23/67/58/377236758.db2.gz XLLFWPNGHFPBJA-GFCCVEGCSA-N 2 1 278.396 2.354 20 0 CEADMP CCC[NH2+]CC[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000423307712 377236908 /nfs/dbraw/zinc/23/69/08/377236908.db2.gz HRMVJJGUXFGNJM-KGLIPLIRSA-N 2 1 256.434 2.415 20 0 CEADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423310711 377238380 /nfs/dbraw/zinc/23/83/80/377238380.db2.gz AUXPZVHWUUMQOG-ZIAGYGMSSA-N 2 1 264.344 2.149 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423318182 377248268 /nfs/dbraw/zinc/24/82/68/377248268.db2.gz CVBGAIOOWVOPRT-YUELXQCFSA-N 2 1 262.397 2.307 20 0 CEADMP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000423319017 377249998 /nfs/dbraw/zinc/24/99/98/377249998.db2.gz LJHTVKGHTABYPJ-MRXNPFEDSA-N 2 1 282.391 2.059 20 0 CEADMP C[C@@H]1C[C@H](NCC2([NH3+])CCC2)C[N@H+]1Cc1ccccc1 ZINC000423328572 377263656 /nfs/dbraw/zinc/26/36/56/377263656.db2.gz NURGPNCDLFIQHG-ZBFHGGJFSA-N 2 1 273.424 2.120 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCC2)CN1Cc1ccccc1 ZINC000423328572 377263659 /nfs/dbraw/zinc/26/36/59/377263659.db2.gz NURGPNCDLFIQHG-ZBFHGGJFSA-N 2 1 273.424 2.120 20 0 CEADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)s1 ZINC000423277362 377202416 /nfs/dbraw/zinc/20/24/16/377202416.db2.gz PKMQMHKTVSOQOM-JQWIXIFHSA-N 2 1 285.457 2.274 20 0 CEADMP COCCOc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423280855 377207268 /nfs/dbraw/zinc/20/72/68/377207268.db2.gz SXOZAZLVRYMJAV-WBMJQRKESA-N 2 1 278.396 2.100 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(CO)cc3)C2)C1 ZINC000292868037 377322072 /nfs/dbraw/zinc/32/20/72/377322072.db2.gz CWPSZIZLDOLGJZ-KRWDZBQOSA-N 2 1 274.408 2.097 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(CO)cc3)C2)C1 ZINC000292868037 377322078 /nfs/dbraw/zinc/32/20/78/377322078.db2.gz CWPSZIZLDOLGJZ-KRWDZBQOSA-N 2 1 274.408 2.097 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(CO)cc3)C2)C1 ZINC000292868037 377322085 /nfs/dbraw/zinc/32/20/85/377322085.db2.gz CWPSZIZLDOLGJZ-KRWDZBQOSA-N 2 1 274.408 2.097 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)CC[NH+](C)C)c1ccccc1 ZINC000264873118 190140962 /nfs/dbraw/zinc/14/09/62/190140962.db2.gz GXUDNKVNZQRJAG-GOEBONIOSA-N 2 1 291.439 2.136 20 0 CEADMP COc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000564324434 377374990 /nfs/dbraw/zinc/37/49/90/377374990.db2.gz GHZKERHCCBKWIS-CJNGLKHVSA-N 2 1 262.397 2.467 20 0 CEADMP COc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000564324434 377374995 /nfs/dbraw/zinc/37/49/95/377374995.db2.gz GHZKERHCCBKWIS-CJNGLKHVSA-N 2 1 262.397 2.467 20 0 CEADMP COc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000564324434 377375003 /nfs/dbraw/zinc/37/50/03/377375003.db2.gz GHZKERHCCBKWIS-CJNGLKHVSA-N 2 1 262.397 2.467 20 0 CEADMP COc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000564324434 377375007 /nfs/dbraw/zinc/37/50/07/377375007.db2.gz GHZKERHCCBKWIS-CJNGLKHVSA-N 2 1 262.397 2.467 20 0 CEADMP CCc1nn(C)c(Cl)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000265293661 190173086 /nfs/dbraw/zinc/17/30/86/190173086.db2.gz BUQFKABPNBJSAY-UHFFFAOYSA-N 2 1 295.818 2.321 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(C)(C)C)C1 ZINC000565161059 377578713 /nfs/dbraw/zinc/57/87/13/377578713.db2.gz FEQJEMDZDITIRM-KBPBESRZSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000565161059 377578721 /nfs/dbraw/zinc/57/87/21/377578721.db2.gz FEQJEMDZDITIRM-KBPBESRZSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000565161059 377578729 /nfs/dbraw/zinc/57/87/29/377578729.db2.gz FEQJEMDZDITIRM-KBPBESRZSA-N 2 1 256.434 2.057 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000166165907 542199112 /nfs/dbraw/zinc/19/91/12/542199112.db2.gz QBERZMMHLSKEAL-BZUAXINKSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166165907 542199114 /nfs/dbraw/zinc/19/91/14/542199114.db2.gz QBERZMMHLSKEAL-BZUAXINKSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166165907 542199117 /nfs/dbraw/zinc/19/91/17/542199117.db2.gz QBERZMMHLSKEAL-BZUAXINKSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C[N@H+]1C1CC1 ZINC000431023400 377589219 /nfs/dbraw/zinc/58/92/19/377589219.db2.gz HNGNTBLWGQPOQH-VRKREXBASA-N 2 1 293.455 2.026 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000565175318 377589363 /nfs/dbraw/zinc/58/93/63/377589363.db2.gz UFHIGFVTFNCTCQ-OAHLLOKOSA-N 2 1 270.380 2.237 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000565175318 377589370 /nfs/dbraw/zinc/58/93/70/377589370.db2.gz UFHIGFVTFNCTCQ-OAHLLOKOSA-N 2 1 270.380 2.237 20 0 CEADMP C[C@@H](CC[N@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000313401034 249393499 /nfs/dbraw/zinc/39/34/99/249393499.db2.gz TYGKSRJMUUKEOR-HOCLYGCPSA-N 2 1 262.397 2.230 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCCC2CCCCC2)CCCO1 ZINC000313350652 249394865 /nfs/dbraw/zinc/39/48/65/249394865.db2.gz VXTMZCQWCCFXMX-OAHLLOKOSA-N 2 1 254.418 2.397 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000565242494 377621489 /nfs/dbraw/zinc/62/14/89/377621489.db2.gz OPAHOJLNZDBXAW-MRXNPFEDSA-N 2 1 279.472 2.326 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCc2cccc(C)n2)CC1 ZINC000565830790 377701888 /nfs/dbraw/zinc/70/18/88/377701888.db2.gz VBLOTTHXMWYUIG-UHFFFAOYSA-N 2 1 261.413 2.349 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCc2cccc(C)n2)CC1 ZINC000565830790 377701895 /nfs/dbraw/zinc/70/18/95/377701895.db2.gz VBLOTTHXMWYUIG-UHFFFAOYSA-N 2 1 261.413 2.349 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000431857985 377679604 /nfs/dbraw/zinc/67/96/04/377679604.db2.gz BCNVNCGWGSNANE-BZUAXINKSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000431857985 377679612 /nfs/dbraw/zinc/67/96/12/377679612.db2.gz BCNVNCGWGSNANE-BZUAXINKSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)CC[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000431857985 377679618 /nfs/dbraw/zinc/67/96/18/377679618.db2.gz BCNVNCGWGSNANE-BZUAXINKSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H](O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000438983340 377916655 /nfs/dbraw/zinc/91/66/55/377916655.db2.gz ZKFDIASPBAUWBU-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP C[C@H]1CC([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)C1 ZINC000441357814 377937608 /nfs/dbraw/zinc/93/76/08/377937608.db2.gz UJSZHFMTUIHVRG-HUUCEWRRSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442881613 378012541 /nfs/dbraw/zinc/01/25/41/378012541.db2.gz ZZIKXRJLATWCSD-JKSUJKDBSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)[C@H]1CCC[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442881610 378012692 /nfs/dbraw/zinc/01/26/92/378012692.db2.gz ZZIKXRJLATWCSD-CVEARBPZSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)[C@H](C)C1 ZINC000442891303 378014776 /nfs/dbraw/zinc/01/47/76/378014776.db2.gz QWAUYHKVOIJMKN-OAGGEKHMSA-N 2 1 281.488 2.427 20 0 CEADMP COCCOc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000442924274 378019447 /nfs/dbraw/zinc/01/94/47/378019447.db2.gz SCBKBJIQGLYOSI-HNNXBMFYSA-N 2 1 292.423 2.273 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442916773 378017203 /nfs/dbraw/zinc/01/72/03/378017203.db2.gz AMRCCWNCWXWJOM-AWEZNQCLSA-N 2 1 275.396 2.206 20 0 CEADMP COc1cc(C)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(C)n1 ZINC000442917807 378018152 /nfs/dbraw/zinc/01/81/52/378018152.db2.gz BKBFZAWXJUCBOE-AWEZNQCLSA-N 2 1 277.412 2.268 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000443071523 378034844 /nfs/dbraw/zinc/03/48/44/378034844.db2.gz MRPSMUDRJCQUAQ-ZDUSSCGKSA-N 2 1 266.360 2.265 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447558309 378117118 /nfs/dbraw/zinc/11/71/18/378117118.db2.gz NKMNCNJSVUQRIH-CKEIUWERSA-N 3 1 279.472 2.179 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447558309 378117124 /nfs/dbraw/zinc/11/71/24/378117124.db2.gz NKMNCNJSVUQRIH-CKEIUWERSA-N 2 1 279.472 2.179 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CC2CCCCC2)CC12CCOCC2 ZINC000335259503 295276170 /nfs/dbraw/zinc/27/61/70/295276170.db2.gz WIWDWDFCUJXIMP-HNNXBMFYSA-N 2 1 266.429 2.254 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cncc(F)c1 ZINC000295690907 378267113 /nfs/dbraw/zinc/26/71/13/378267113.db2.gz SQNZUBDLGSPNBA-KQMXJJGSSA-N 2 1 263.360 2.497 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cncc(F)c1 ZINC000295690907 378267117 /nfs/dbraw/zinc/26/71/17/378267117.db2.gz SQNZUBDLGSPNBA-KQMXJJGSSA-N 2 1 263.360 2.497 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN(C)CC[NH+]1CCCC1 ZINC000450400852 378395383 /nfs/dbraw/zinc/39/53/83/378395383.db2.gz FBSCRNVSUCHWDV-MRXNPFEDSA-N 2 1 267.461 2.277 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@H](C[NH+](C)C)C1 ZINC000450410937 378401808 /nfs/dbraw/zinc/40/18/08/378401808.db2.gz ZQYSJPFYUASDFW-HZPDHXFCSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000450410938 378402011 /nfs/dbraw/zinc/40/20/11/378402011.db2.gz ZQYSJPFYUASDFW-JKSUJKDBSA-N 2 1 267.461 2.133 20 0 CEADMP C[C@@H](O)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000450982895 378670844 /nfs/dbraw/zinc/67/08/44/378670844.db2.gz NXWNWQLHAAJSNY-SJLPKXTDSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H](O)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000450982895 378670847 /nfs/dbraw/zinc/67/08/47/378670847.db2.gz NXWNWQLHAAJSNY-SJLPKXTDSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H](O)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000450982895 378670849 /nfs/dbraw/zinc/67/08/49/378670849.db2.gz NXWNWQLHAAJSNY-SJLPKXTDSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc(-c2ccncc2)s1 ZINC000346673116 217983046 /nfs/dbraw/zinc/98/30/46/217983046.db2.gz HXLAKUKHWQVFKD-NWDGAFQWSA-N 2 1 288.420 2.374 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc3O2)[C@H](C)C1 ZINC000346772956 218011280 /nfs/dbraw/zinc/01/12/80/218011280.db2.gz BWPPYDSOCKAAOZ-BMFZPTHFSA-N 2 1 274.408 2.310 20 0 CEADMP C[C@H](CC(C)(C)C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000453102173 378804447 /nfs/dbraw/zinc/80/44/47/378804447.db2.gz OWIQWOSFUXVYTD-OAHLLOKOSA-N 2 1 269.477 2.428 20 0 CEADMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000346825040 218024662 /nfs/dbraw/zinc/02/46/62/218024662.db2.gz AEHOQLAZNIKHEW-QEJZJMRPSA-N 2 1 275.396 2.040 20 0 CEADMP COc1ccc(CCC[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000346838890 218030615 /nfs/dbraw/zinc/03/06/15/218030615.db2.gz RWERUWCDAIVTNJ-UHFFFAOYSA-N 2 1 250.386 2.297 20 0 CEADMP CCc1cnc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000346858699 218039474 /nfs/dbraw/zinc/03/94/74/218039474.db2.gz YHXNLWIILVJGTE-DRZSPHRISA-N 2 1 265.426 2.265 20 0 CEADMP CCc1cnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000346858699 218039476 /nfs/dbraw/zinc/03/94/76/218039476.db2.gz YHXNLWIILVJGTE-DRZSPHRISA-N 2 1 265.426 2.265 20 0 CEADMP Cc1cccnc1CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000453311234 378861280 /nfs/dbraw/zinc/86/12/80/378861280.db2.gz SBTLBYGYZUONNV-ZBFHGGJFSA-N 2 1 261.413 2.252 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CCCOC1 ZINC000453421010 378898003 /nfs/dbraw/zinc/89/80/03/378898003.db2.gz ZZMVHDGFVBLITJ-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000346992053 218082521 /nfs/dbraw/zinc/08/25/21/218082521.db2.gz AHABUGHFFIFYRD-OCCSQVGLSA-N 2 1 275.396 2.204 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccncc2)C1 ZINC000347034005 218098103 /nfs/dbraw/zinc/09/81/03/218098103.db2.gz FLCLCNBDDCPJBW-HIFRSBDPSA-N 2 1 299.422 2.041 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000347031678 218098916 /nfs/dbraw/zinc/09/89/16/218098916.db2.gz AIKVHEGHMSLQOC-HNNXBMFYSA-N 2 1 284.407 2.222 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000347031678 218098917 /nfs/dbraw/zinc/09/89/17/218098917.db2.gz AIKVHEGHMSLQOC-HNNXBMFYSA-N 2 1 284.407 2.222 20 0 CEADMP CCC[N@H+](Cc1scnc1C)C1CC[NH2+]CC1 ZINC000347032252 218099306 /nfs/dbraw/zinc/09/93/06/218099306.db2.gz ZPXKRZZBEDEMMT-UHFFFAOYSA-N 2 1 253.415 2.416 20 0 CEADMP CCC[N@@H+](Cc1scnc1C)C1CC[NH2+]CC1 ZINC000347032252 218099309 /nfs/dbraw/zinc/09/93/09/218099309.db2.gz ZPXKRZZBEDEMMT-UHFFFAOYSA-N 2 1 253.415 2.416 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347064797 218109541 /nfs/dbraw/zinc/10/95/41/218109541.db2.gz DDVGLTWGZJOJHW-QGZVFWFLSA-N 2 1 297.402 2.441 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000347015537 218093039 /nfs/dbraw/zinc/09/30/39/218093039.db2.gz XWPIBAIMNSLQFH-UHFFFAOYSA-N 2 1 292.814 2.419 20 0 CEADMP Cn1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(-c2ccccc2)n1 ZINC000347064265 218109578 /nfs/dbraw/zinc/10/95/78/218109578.db2.gz JPBWWHOUJOFIER-AWEZNQCLSA-N 2 1 284.407 2.258 20 0 CEADMP COCCOc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000347088500 218117691 /nfs/dbraw/zinc/11/76/91/218117691.db2.gz FEPWTOHRSPKVJC-HOCLYGCPSA-N 2 1 292.423 2.271 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000347096866 218119256 /nfs/dbraw/zinc/11/92/56/218119256.db2.gz IKKNOIHNSSZXDK-LBPRGKRZSA-N 2 1 270.323 2.329 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000347096866 218119258 /nfs/dbraw/zinc/11/92/58/218119258.db2.gz IKKNOIHNSSZXDK-LBPRGKRZSA-N 2 1 270.323 2.329 20 0 CEADMP C[NH2+]C1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000347100002 218121483 /nfs/dbraw/zinc/12/14/83/218121483.db2.gz KBDJCXAWBJSKSN-UHFFFAOYSA-N 2 1 270.380 2.056 20 0 CEADMP COC1CC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000347184196 218148630 /nfs/dbraw/zinc/14/86/30/218148630.db2.gz HAFDRRGENWXXOG-WLYUNCDWSA-N 2 1 254.418 2.408 20 0 CEADMP C(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CC1CCOCC1 ZINC000347195235 218150859 /nfs/dbraw/zinc/15/08/59/218150859.db2.gz SZYRLLVKMHPCQL-JKSUJKDBSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H](NC(=O)[C@@H]1CCCN1C)c1cccc(-n2ccnc2)c1 ZINC000266340520 190250353 /nfs/dbraw/zinc/25/03/53/190250353.db2.gz YFTYOQDFODJNDL-CJNGLKHVSA-N 2 1 298.390 2.144 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000347426109 218230899 /nfs/dbraw/zinc/23/08/99/218230899.db2.gz KGMYLCXNTGFQJR-ZIAGYGMSSA-N 2 1 284.444 2.428 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000347444319 218238260 /nfs/dbraw/zinc/23/82/60/218238260.db2.gz SDEWPEZENXTSSM-DLBZAZTESA-N 2 1 298.471 2.378 20 0 CEADMP CC[C@@H]1CCC[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000514908568 379160339 /nfs/dbraw/zinc/16/03/39/379160339.db2.gz VWXCISKKOUBAHW-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cs1 ZINC000300412772 379167257 /nfs/dbraw/zinc/16/72/57/379167257.db2.gz VTSHJRVUXKTHSV-PWSUYJOCSA-N 2 1 253.415 2.066 20 0 CEADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000516562016 379292879 /nfs/dbraw/zinc/29/28/79/379292879.db2.gz HASJLHOKHBUMJM-IUODEOHRSA-N 2 1 275.396 2.039 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000516867985 379318293 /nfs/dbraw/zinc/31/82/93/379318293.db2.gz GYKAKIONBVYRGY-OAHLLOKOSA-N 2 1 262.397 2.312 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000266615345 190271274 /nfs/dbraw/zinc/27/12/74/190271274.db2.gz JJAJIPGEJYCGHO-XJKSGUPXSA-N 2 1 280.387 2.133 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000266615345 190271275 /nfs/dbraw/zinc/27/12/75/190271275.db2.gz JJAJIPGEJYCGHO-XJKSGUPXSA-N 2 1 280.387 2.133 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000266615345 190271276 /nfs/dbraw/zinc/27/12/76/190271276.db2.gz JJAJIPGEJYCGHO-XJKSGUPXSA-N 2 1 280.387 2.133 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000266615345 190271277 /nfs/dbraw/zinc/27/12/77/190271277.db2.gz JJAJIPGEJYCGHO-XJKSGUPXSA-N 2 1 280.387 2.133 20 0 CEADMP CN1CC[NH+](Cc2ccc(C[NH2+]CC3(C)CC3)cc2)CC1 ZINC000517271408 379356591 /nfs/dbraw/zinc/35/65/91/379356591.db2.gz PCIDZPOGVGFGDM-UHFFFAOYSA-N 2 1 287.451 2.324 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000521029706 379513499 /nfs/dbraw/zinc/51/34/99/379513499.db2.gz NQQQSHUEQAIUHU-JZXOWHBKSA-N 2 1 290.451 2.473 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1CCc1ccccc1 ZINC000305140250 379656791 /nfs/dbraw/zinc/65/67/91/379656791.db2.gz PVBPRVGLXZCEKI-RCCFBDPRSA-N 2 1 290.451 2.300 20 0 CEADMP CN(C)CC[NH+]1CCC(Nc2ccncc2Cl)CC1 ZINC000267332850 190321941 /nfs/dbraw/zinc/32/19/41/190321941.db2.gz BZXXMTDXRPDNJY-UHFFFAOYSA-N 2 1 282.819 2.173 20 0 CEADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000527983959 379866441 /nfs/dbraw/zinc/86/64/41/379866441.db2.gz YDHQCUGLGATIAN-ZQNQSHIBSA-N 2 1 252.402 2.016 20 0 CEADMP Cc1cnccc1CNC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527806718 379819464 /nfs/dbraw/zinc/81/94/64/379819464.db2.gz FAVJLOSFDVKXPU-MRXNPFEDSA-N 2 1 259.397 2.497 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2COC2)CC[N@@H+]1Cc1ccccc1 ZINC000527822490 379823507 /nfs/dbraw/zinc/82/35/07/379823507.db2.gz WXQTZAUEKRHHRO-PBHICJAKSA-N 2 1 274.408 2.276 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2COC2)CC[N@H+]1Cc1ccccc1 ZINC000527822490 379823514 /nfs/dbraw/zinc/82/35/14/379823514.db2.gz WXQTZAUEKRHHRO-PBHICJAKSA-N 2 1 274.408 2.276 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CC4COC4)[C@@H]3C2)cc1 ZINC000528028262 379882170 /nfs/dbraw/zinc/88/21/70/379882170.db2.gz VIXDUBYCYFYUQP-RCCFBDPRSA-N 2 1 286.419 2.133 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc(C)c1O ZINC000347848897 218376528 /nfs/dbraw/zinc/37/65/28/218376528.db2.gz JKVKMBSHHQXRNG-AWEZNQCLSA-N 2 1 262.397 2.393 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc(C)c1O ZINC000347848897 218376531 /nfs/dbraw/zinc/37/65/31/218376531.db2.gz JKVKMBSHHQXRNG-AWEZNQCLSA-N 2 1 262.397 2.393 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000488506025 380103954 /nfs/dbraw/zinc/10/39/54/380103954.db2.gz NZOISMBUORVPIE-OLMNPRSZSA-N 2 1 288.435 2.389 20 0 CEADMP C[C@@H]1C[C@H](C)[NH+](CCOCC[N@H+]2C[C@@H](C)C[C@@H]2C)C1 ZINC000489289044 380172376 /nfs/dbraw/zinc/17/23/76/380172376.db2.gz JMVIUYIBAWBCDH-FZKCQIBNSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](CCOCC[NH+]2C[C@@H](C)C[C@@H]2C)C1 ZINC000489289044 380172378 /nfs/dbraw/zinc/17/23/78/380172378.db2.gz JMVIUYIBAWBCDH-FZKCQIBNSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCOCC[NH+]2C[C@@H](C)C[C@@H]2C)C1 ZINC000489289044 380172382 /nfs/dbraw/zinc/17/23/82/380172382.db2.gz JMVIUYIBAWBCDH-FZKCQIBNSA-N 2 1 268.445 2.464 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccnc(C)c2)C[C@H]1C ZINC000334381990 380332086 /nfs/dbraw/zinc/33/20/86/380332086.db2.gz KBNJMDILIBFEKH-HIFRSBDPSA-N 2 1 290.411 2.148 20 0 CEADMP CN(C(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000545309217 380380552 /nfs/dbraw/zinc/38/05/52/380380552.db2.gz SGTJSKQPOFNZOD-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCn1nccc1C1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000279089644 194279530 /nfs/dbraw/zinc/27/95/30/194279530.db2.gz OZLWLBZJARLOMR-UHFFFAOYSA-N 2 1 287.411 2.288 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000279092988 194281086 /nfs/dbraw/zinc/28/10/86/194281086.db2.gz INUWDWOGYIFFQW-UHFFFAOYSA-N 2 1 281.363 2.167 20 0 CEADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548389124 380508692 /nfs/dbraw/zinc/50/86/92/380508692.db2.gz PHYXQIMXAVJLCN-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H]1CC[NH+](C)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548389124 380508698 /nfs/dbraw/zinc/50/86/98/380508698.db2.gz PHYXQIMXAVJLCN-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H]1CC[NH+](C)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548389124 380508706 /nfs/dbraw/zinc/50/87/06/380508706.db2.gz PHYXQIMXAVJLCN-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548392364 380508767 /nfs/dbraw/zinc/50/87/67/380508767.db2.gz OCXUBSUKQYYUSW-GJZGRUSLSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H]1C[NH+](C)[C@@H](C)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548392364 380508776 /nfs/dbraw/zinc/50/87/76/380508776.db2.gz OCXUBSUKQYYUSW-GJZGRUSLSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H]1C[NH+](C)[C@@H](C)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548392364 380508785 /nfs/dbraw/zinc/50/87/85/380508785.db2.gz OCXUBSUKQYYUSW-GJZGRUSLSA-N 2 1 295.471 2.192 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cscn2)C1 ZINC000334555007 380583034 /nfs/dbraw/zinc/58/30/34/380583034.db2.gz DZMWDXLWMWBRPC-YPMHNXCESA-N 2 1 251.399 2.059 20 0 CEADMP CCC[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000554544956 380780588 /nfs/dbraw/zinc/78/05/88/380780588.db2.gz RTUQYLWKGUIDLY-CVEARBPZSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)OC1CC([N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000334790437 207081392 /nfs/dbraw/zinc/08/13/92/207081392.db2.gz YCSLUIILYHUHHJ-PRLABOORSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)OC1CC([N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000334790437 207081394 /nfs/dbraw/zinc/08/13/94/207081394.db2.gz YCSLUIILYHUHHJ-PRLABOORSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)OC1CC([NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000334790437 207081399 /nfs/dbraw/zinc/08/13/99/207081399.db2.gz YCSLUIILYHUHHJ-PRLABOORSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)OC1CC([NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000334790437 207081403 /nfs/dbraw/zinc/08/14/03/207081403.db2.gz YCSLUIILYHUHHJ-PRLABOORSA-N 2 1 266.429 2.359 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000334845552 207175759 /nfs/dbraw/zinc/17/57/59/207175759.db2.gz XCOOKIKBSXJVRF-GFCCVEGCSA-N 2 1 298.228 2.322 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000334859520 207201721 /nfs/dbraw/zinc/20/17/21/207201721.db2.gz ZMWNGNWZPVTQOE-QPUJVOFHSA-N 2 1 258.287 2.192 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cncc(Br)c2)CC[NH2+]1 ZINC000334869673 207216804 /nfs/dbraw/zinc/21/68/04/207216804.db2.gz RRDIWHPVGWDXCW-CABZTGNLSA-N 2 1 284.201 2.074 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cncc(Br)c2)CC[NH2+]1 ZINC000334869934 207217358 /nfs/dbraw/zinc/21/73/58/207217358.db2.gz RRDIWHPVGWDXCW-JOYOIKCWSA-N 2 1 284.201 2.074 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000334871668 207220552 /nfs/dbraw/zinc/22/05/52/207220552.db2.gz ZAIBNTNBEYYPAY-JKSUJKDBSA-N 2 1 259.397 2.354 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000360003036 296342893 /nfs/dbraw/zinc/34/28/93/296342893.db2.gz CEEWTZVFCQLJAO-SNPRPXQTSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000360003036 296342894 /nfs/dbraw/zinc/34/28/94/296342894.db2.gz CEEWTZVFCQLJAO-SNPRPXQTSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@@](C)([C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000414505023 533005760 /nfs/dbraw/zinc/00/57/60/533005760.db2.gz UCGPMKZMPPLHBX-ABAIWWIYSA-N 2 1 297.468 2.498 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1cccc(N)c1)CC[NH2+]CC2 ZINC000335279562 208089573 /nfs/dbraw/zinc/08/95/73/208089573.db2.gz SKMISIPHGVRHSX-ZDUSSCGKSA-N 2 1 259.397 2.233 20 0 CEADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000289362853 197312257 /nfs/dbraw/zinc/31/22/57/197312257.db2.gz NFWVBMGYAGOYCJ-WMLDXEAASA-N 2 1 276.424 2.409 20 0 CEADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000289362853 197312259 /nfs/dbraw/zinc/31/22/59/197312259.db2.gz NFWVBMGYAGOYCJ-WMLDXEAASA-N 2 1 276.424 2.409 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000353880965 220384415 /nfs/dbraw/zinc/38/44/15/220384415.db2.gz LXFBLIQDJRKEDH-UHFFFAOYSA-N 2 1 297.487 2.299 20 0 CEADMP OC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000364941197 285281204 /nfs/dbraw/zinc/28/12/04/285281204.db2.gz LIZBXFWHVCWXKT-KRXQYRFLSA-N 2 1 286.419 2.424 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1C ZINC000125870913 533658582 /nfs/dbraw/zinc/65/85/82/533658582.db2.gz JVFLAKDWQCFOHH-ILXRZTDVSA-N 2 1 269.477 2.425 20 0 CEADMP Cc1ccc(NCCCNC(=O)c2ccc(C[NH3+])cc2)[nH+]c1 ZINC000262292593 131209225 /nfs/dbraw/zinc/20/92/25/131209225.db2.gz LQAXVIOJDJWNSV-UHFFFAOYSA-N 2 1 298.390 2.081 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COCc3ccccc32)CCN1C ZINC000300275326 394454784 /nfs/dbraw/zinc/45/47/84/394454784.db2.gz OBKFSBHWPBILMD-INWMFGNUSA-N 2 1 260.381 2.330 20 0 CEADMP Cc1noc(C)c1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237667301 394493059 /nfs/dbraw/zinc/49/30/59/394493059.db2.gz UNXUKBYWUOSXMS-BETUJISGSA-N 2 1 295.427 2.270 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000305119656 394493971 /nfs/dbraw/zinc/49/39/71/394493971.db2.gz GPFGEKXNQUCNQQ-QXSJWSMHSA-N 2 1 270.461 2.492 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000305142768 394495519 /nfs/dbraw/zinc/49/55/19/394495519.db2.gz QRSBWNQFPPWNAN-BYNSBNAKSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000040736083 394500086 /nfs/dbraw/zinc/50/00/86/394500086.db2.gz DXZYDDYZAFUVCX-XJKCOSOUSA-N 2 1 262.397 2.253 20 0 CEADMP CC[C@H]1C(=O)NCCN1Cc1cn(-c2ccncc2)nc1C ZINC000329499272 394567843 /nfs/dbraw/zinc/56/78/43/394567843.db2.gz FPROHQQGFAJZRO-HNNXBMFYSA-N 2 1 299.378 2.126 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246835027 394522495 /nfs/dbraw/zinc/52/24/95/394522495.db2.gz BVILFBOSGJHSLU-VVLHAWIVSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246835027 394522497 /nfs/dbraw/zinc/52/24/97/394522497.db2.gz BVILFBOSGJHSLU-VVLHAWIVSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246835027 394522499 /nfs/dbraw/zinc/52/24/99/394522499.db2.gz BVILFBOSGJHSLU-VVLHAWIVSA-N 2 1 281.488 2.427 20 0 CEADMP CC1CC[NH+](CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000246870424 394522512 /nfs/dbraw/zinc/52/25/12/394522512.db2.gz UOYNRMCLTAFBCO-DLBZAZTESA-N 2 1 279.472 2.134 20 0 CEADMP CC(C)(C)OC(=O)NCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308626998 394528919 /nfs/dbraw/zinc/52/89/19/394528919.db2.gz APCZEFUBRXGEOT-UHFFFAOYSA-N 2 1 299.459 2.365 20 0 CEADMP CN(CC[NH2+]C1CC[NH+](C2CC2)CC1)C(=O)OC(C)(C)C ZINC000310015701 394534231 /nfs/dbraw/zinc/53/42/31/394534231.db2.gz NPSCSOHBKXIYAQ-UHFFFAOYSA-N 2 1 297.443 2.070 20 0 CEADMP CC[N@@H+](CC(=O)N(C)CC[NH+](C(C)C)C(C)C)C1CC1 ZINC000356164678 394551739 /nfs/dbraw/zinc/55/17/39/394551739.db2.gz KICRJNPVUPQDQJ-UHFFFAOYSA-N 2 1 283.460 2.048 20 0 CEADMP CCOC(=O)[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000049772906 394553247 /nfs/dbraw/zinc/55/32/47/394553247.db2.gz BAUSYVXUNKATJR-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000049772906 394553251 /nfs/dbraw/zinc/55/32/51/394553251.db2.gz BAUSYVXUNKATJR-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000049772906 394553254 /nfs/dbraw/zinc/55/32/54/394553254.db2.gz BAUSYVXUNKATJR-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000249316528 394553456 /nfs/dbraw/zinc/55/34/56/394553456.db2.gz FMEADHCARQZDJP-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000249316528 394553459 /nfs/dbraw/zinc/55/34/59/394553459.db2.gz FMEADHCARQZDJP-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP c1ccc(OCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000257679196 394596388 /nfs/dbraw/zinc/59/63/88/394596388.db2.gz KQINXMSZXWHYAG-MRXNPFEDSA-N 2 1 260.381 2.141 20 0 CEADMP c1ccc(OCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000257679196 394596391 /nfs/dbraw/zinc/59/63/91/394596391.db2.gz KQINXMSZXWHYAG-MRXNPFEDSA-N 2 1 260.381 2.141 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@@H](C)C1 ZINC000356822939 394623305 /nfs/dbraw/zinc/62/33/05/394623305.db2.gz OMSLEBYIHPHSFI-ZNMIVQPWSA-N 2 1 297.487 2.342 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCOC1 ZINC000356829737 394625007 /nfs/dbraw/zinc/62/50/07/394625007.db2.gz ALQBAXOJQZATNL-KKUMJFAQSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCOC1 ZINC000356829737 394625009 /nfs/dbraw/zinc/62/50/09/394625009.db2.gz ALQBAXOJQZATNL-KKUMJFAQSA-N 2 1 266.429 2.408 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358928143 394732547 /nfs/dbraw/zinc/73/25/47/394732547.db2.gz FDZCDMUOFUHMFY-AWEZNQCLSA-N 2 1 264.417 2.119 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H](C)O1 ZINC000414279590 394741170 /nfs/dbraw/zinc/74/11/70/394741170.db2.gz JQTJIBRWPCAOEJ-RYPNDVFKSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccnc1 ZINC000422727669 394743140 /nfs/dbraw/zinc/74/31/40/394743140.db2.gz CZKSSWIHZXQXKQ-BBRMVZONSA-N 2 1 255.365 2.130 20 0 CEADMP CC(C)N1CCCC[C@@H]1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000334522071 394695890 /nfs/dbraw/zinc/69/58/90/394695890.db2.gz IGMSPAUZYISRCL-HZPDHXFCSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@@]2(CCOC2)C1 ZINC000334522071 394695894 /nfs/dbraw/zinc/69/58/94/394695894.db2.gz IGMSPAUZYISRCL-HZPDHXFCSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@@]2(CCOC2)C1 ZINC000334522071 394695897 /nfs/dbraw/zinc/69/58/97/394695897.db2.gz IGMSPAUZYISRCL-HZPDHXFCSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCn1cnc2ccccc21 ZINC000268796757 394699362 /nfs/dbraw/zinc/69/93/62/394699362.db2.gz DULXCVIHWFEPIA-IIAWOOMASA-N 2 1 286.423 2.355 20 0 CEADMP COc1ccnc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000268960345 394704825 /nfs/dbraw/zinc/70/48/25/394704825.db2.gz FQICVXBXJPSLIG-CZUORRHYSA-N 2 1 275.396 2.006 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000422732550 394746637 /nfs/dbraw/zinc/74/66/37/394746637.db2.gz OYVBVCGRTCWYDO-BLLLJJGKSA-N 2 1 257.381 2.298 20 0 CEADMP C[C@@H](CC1CCOCC1)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422563129 394711452 /nfs/dbraw/zinc/71/14/52/394711452.db2.gz RTJOJLDVQZMHIN-AWEZNQCLSA-N 2 1 266.429 2.267 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000358239752 394712497 /nfs/dbraw/zinc/71/24/97/394712497.db2.gz YUWCNPBBAOYISR-QPSCCSFWSA-N 2 1 252.402 2.160 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)o1 ZINC000422564295 394712946 /nfs/dbraw/zinc/71/29/46/394712946.db2.gz VPHPLQBWTBAWDX-AVGNSLFASA-N 2 1 294.395 2.262 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)o1 ZINC000422564295 394712948 /nfs/dbraw/zinc/71/29/48/394712948.db2.gz VPHPLQBWTBAWDX-AVGNSLFASA-N 2 1 294.395 2.262 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC000334856308 394715584 /nfs/dbraw/zinc/71/55/84/394715584.db2.gz HWCHTCKXCSBUNL-NWDGAFQWSA-N 2 1 250.411 2.494 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422735545 394747508 /nfs/dbraw/zinc/74/75/08/394747508.db2.gz FEACFVCHAFEKNV-LSDHHAIUSA-N 3 1 255.450 2.214 20 0 CEADMP COc1cc(C)cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358326452 394718064 /nfs/dbraw/zinc/71/80/64/394718064.db2.gz HDGDXZBYDHHUEG-CJNGLKHVSA-N 2 1 262.397 2.433 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc2n(n1)CCC2 ZINC000414154411 394718233 /nfs/dbraw/zinc/71/82/33/394718233.db2.gz TXBSCFVKPNQYRR-CYBMUJFWSA-N 2 1 276.428 2.354 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2nccn21 ZINC000414174260 394722230 /nfs/dbraw/zinc/72/22/30/394722230.db2.gz GNAVKWLUYZTQSB-RDBSUJKOSA-N 2 1 262.401 2.210 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2nccn21 ZINC000414174257 394722911 /nfs/dbraw/zinc/72/29/11/394722911.db2.gz GNAVKWLUYZTQSB-MGPQQGTHSA-N 2 1 262.401 2.210 20 0 CEADMP COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422686426 394723373 /nfs/dbraw/zinc/72/33/73/394723373.db2.gz ADSGRVSDROWILT-NXEZZACHSA-N 2 1 252.333 2.093 20 0 CEADMP COC(=O)c1ccccc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422638234 394723399 /nfs/dbraw/zinc/72/33/99/394723399.db2.gz PZNZEWBDZJWSBF-YDHLFZDLSA-N 2 1 290.407 2.278 20 0 CEADMP COC(=O)c1ccccc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422638234 394723402 /nfs/dbraw/zinc/72/34/02/394723402.db2.gz PZNZEWBDZJWSBF-YDHLFZDLSA-N 2 1 290.407 2.278 20 0 CEADMP Cn1ccnc1[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1CC1 ZINC000414185452 394725210 /nfs/dbraw/zinc/72/52/10/394725210.db2.gz OSGCYNZJXUWMHD-OAHLLOKOSA-N 2 1 281.363 2.309 20 0 CEADMP COc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1OC ZINC000422700224 394726800 /nfs/dbraw/zinc/72/68/00/394726800.db2.gz BTHUDWMZMMBPFH-OCCSQVGLSA-N 2 1 278.396 2.182 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422839620 394822004 /nfs/dbraw/zinc/82/20/04/394822004.db2.gz QWSUZCRFWQYOFP-NOLJZWGESA-N 3 1 290.455 2.372 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000422740968 394751867 /nfs/dbraw/zinc/75/18/67/394751867.db2.gz OMUFHXVRBDJVBG-DOTOQJQBSA-N 2 1 275.440 2.491 20 0 CEADMP C[C@H]([NH2+]Cc1cccc2c1OC(F)(F)O2)[C@H]1CCC[NH2+]C1 ZINC000414822175 394752446 /nfs/dbraw/zinc/75/24/46/394752446.db2.gz MSIDYMFMYLFRIC-QWRGUYRKSA-N 2 1 298.333 2.486 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422744400 394754508 /nfs/dbraw/zinc/75/45/08/394754508.db2.gz SUEKUNKRBKDGLR-JKSUJKDBSA-N 2 1 261.413 2.108 20 0 CEADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422744400 394754512 /nfs/dbraw/zinc/75/45/12/394754512.db2.gz SUEKUNKRBKDGLR-JKSUJKDBSA-N 3 1 261.413 2.108 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422744400 394754513 /nfs/dbraw/zinc/75/45/13/394754513.db2.gz SUEKUNKRBKDGLR-JKSUJKDBSA-N 3 1 261.413 2.108 20 0 CEADMP CC[C@@H](NC[C@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000422744455 394754562 /nfs/dbraw/zinc/75/45/62/394754562.db2.gz SYVNMZMXKILFKN-OAGGEKHMSA-N 2 1 267.461 2.227 20 0 CEADMP c1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000414824834 394755028 /nfs/dbraw/zinc/75/50/28/394755028.db2.gz BGNANSITXINLFM-INIZCTEOSA-N 3 1 287.451 2.240 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422745151 394755336 /nfs/dbraw/zinc/75/53/36/394755336.db2.gz UPWLZBLRQVPGNE-DLBZAZTESA-N 3 1 275.440 2.355 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422838829 394822279 /nfs/dbraw/zinc/82/22/79/394822279.db2.gz YGHIXRROMOVBCU-HUUCEWRRSA-N 2 1 286.423 2.341 20 0 CEADMP COc1ccccc1[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000422748156 394756500 /nfs/dbraw/zinc/75/65/00/394756500.db2.gz SGVGMJNYKVIFHT-FVQBIDKESA-N 2 1 291.439 2.028 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414839472 394763305 /nfs/dbraw/zinc/76/33/05/394763305.db2.gz XOHVMUNZFANYHZ-KEVQOFRZSA-N 2 1 299.462 2.380 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414839472 394763309 /nfs/dbraw/zinc/76/33/09/394763309.db2.gz XOHVMUNZFANYHZ-KEVQOFRZSA-N 2 1 299.462 2.380 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000414840401 394764356 /nfs/dbraw/zinc/76/43/56/394764356.db2.gz KFZMNJDKCURJJE-UHFFFAOYSA-N 2 1 276.380 2.224 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422761586 394765909 /nfs/dbraw/zinc/76/59/09/394765909.db2.gz MYLXDRYAHQTFFP-KMFMINBZSA-N 2 1 294.414 2.097 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000414849709 394769117 /nfs/dbraw/zinc/76/91/17/394769117.db2.gz YFDFOLLJJDXSKW-LBPRGKRZSA-N 2 1 258.369 2.022 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1-n1cccn1 ZINC000119646654 394770481 /nfs/dbraw/zinc/77/04/81/394770481.db2.gz DEEBTWSQTMQURK-HOCLYGCPSA-N 2 1 284.407 2.302 20 0 CEADMP CC[C@@H]([NH2+]CCc1ccccc1OC)[C@@H]1CCC[NH2+]1 ZINC000422768598 394771146 /nfs/dbraw/zinc/77/11/46/394771146.db2.gz UBMBEMSVEAGDFD-CABCVRRESA-N 2 1 262.397 2.358 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000422772038 394773064 /nfs/dbraw/zinc/77/30/64/394773064.db2.gz XZRHMTLZVGAABU-UONOGXRCSA-N 3 1 255.450 2.214 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000422772038 394773066 /nfs/dbraw/zinc/77/30/66/394773066.db2.gz XZRHMTLZVGAABU-UONOGXRCSA-N 3 1 255.450 2.214 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000414856902 394773357 /nfs/dbraw/zinc/77/33/57/394773357.db2.gz BIUIBFGORCWWGV-UHFFFAOYSA-N 2 1 278.787 2.225 20 0 CEADMP C[NH+](C)Cc1cnc(CNCC2([NH3+])CCCCCC2)s1 ZINC000414857321 394773997 /nfs/dbraw/zinc/77/39/97/394773997.db2.gz CSQLKDIGQDZNBP-UHFFFAOYSA-N 2 1 296.484 2.346 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(CO)cc2)[C@H](C)C1 ZINC000272489206 394774306 /nfs/dbraw/zinc/77/43/06/394774306.db2.gz MVZVUSPJPYCWBQ-PBHICJAKSA-N 2 1 276.424 2.341 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(CO)cc2)[C@H](C)C1 ZINC000272489206 394774311 /nfs/dbraw/zinc/77/43/11/394774311.db2.gz MVZVUSPJPYCWBQ-PBHICJAKSA-N 2 1 276.424 2.341 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(CO)cc2)[C@H](C)C1 ZINC000272489206 394774314 /nfs/dbraw/zinc/77/43/14/394774314.db2.gz MVZVUSPJPYCWBQ-PBHICJAKSA-N 2 1 276.424 2.341 20 0 CEADMP FC(F)(F)c1ncc(C[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000414861729 394775711 /nfs/dbraw/zinc/77/57/11/394775711.db2.gz WPXFDHPHCAYVJM-QMMMGPOBSA-N 2 1 279.331 2.251 20 0 CEADMP COCC1(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CCC1 ZINC000361323401 394823586 /nfs/dbraw/zinc/82/35/86/394823586.db2.gz FPBAWXBZUMCIKJ-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP COCC1(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CCC1 ZINC000361323401 394823589 /nfs/dbraw/zinc/82/35/89/394823589.db2.gz FPBAWXBZUMCIKJ-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP COCC1(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000361323401 394823591 /nfs/dbraw/zinc/82/35/91/394823591.db2.gz FPBAWXBZUMCIKJ-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP COCC1(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000361323401 394823592 /nfs/dbraw/zinc/82/35/92/394823592.db2.gz FPBAWXBZUMCIKJ-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000414866918 394778618 /nfs/dbraw/zinc/77/86/18/394778618.db2.gz NLADPKVWPRRMTO-DJIMGWMZSA-N 2 1 273.424 2.164 20 0 CEADMP CCC[NH2+]CC[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000414867362 394778673 /nfs/dbraw/zinc/77/86/73/394778673.db2.gz IKMXSKCHHPRJPD-ZDUSSCGKSA-N 2 1 280.412 2.224 20 0 CEADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[NH2+]C1)CC3 ZINC000335642411 394784620 /nfs/dbraw/zinc/78/46/20/394784620.db2.gz JSZCGQQIYGLCRP-OLZOCXBDSA-N 2 1 269.392 2.285 20 0 CEADMP COC1CCC([NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000414880613 394785316 /nfs/dbraw/zinc/78/53/16/394785316.db2.gz QOTTTZJWNVYLKS-UHFFFAOYSA-N 2 1 277.412 2.109 20 0 CEADMP COCC1(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CCC1 ZINC000361325031 394824132 /nfs/dbraw/zinc/82/41/32/394824132.db2.gz QIOAGLXNJWENGH-AWEZNQCLSA-N 2 1 254.418 2.077 20 0 CEADMP COCC1(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000361325031 394824133 /nfs/dbraw/zinc/82/41/33/394824133.db2.gz QIOAGLXNJWENGH-AWEZNQCLSA-N 2 1 254.418 2.077 20 0 CEADMP COCC1(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000361325031 394824137 /nfs/dbraw/zinc/82/41/37/394824137.db2.gz QIOAGLXNJWENGH-AWEZNQCLSA-N 2 1 254.418 2.077 20 0 CEADMP COCC1(C[N@H+](C)CCCn2cc[nH+]c2C)CCC1 ZINC000361329012 394824162 /nfs/dbraw/zinc/82/41/62/394824162.db2.gz UMARYXXZQJCHHU-UHFFFAOYSA-N 2 1 265.401 2.330 20 0 CEADMP COCC1(C[N@@H+](C)CCCn2cc[nH+]c2C)CCC1 ZINC000361329012 394824165 /nfs/dbraw/zinc/82/41/65/394824165.db2.gz UMARYXXZQJCHHU-UHFFFAOYSA-N 2 1 265.401 2.330 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1Br ZINC000414885987 394787629 /nfs/dbraw/zinc/78/76/29/394787629.db2.gz CEBWXMBUNCPHOO-GFCCVEGCSA-N 2 1 299.212 2.285 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])N1CCC(C)CC1 ZINC000422790020 394787799 /nfs/dbraw/zinc/78/77/99/394787799.db2.gz UMOYLSJZYLJBJW-OWCLPIDISA-N 2 1 267.461 2.214 20 0 CEADMP [NH3+][C@@H](C[NH2+]C/C=C\c1ccc(F)cc1F)C1CC1 ZINC000414895675 394793814 /nfs/dbraw/zinc/79/38/14/394793814.db2.gz YOEOSYXBIQGLNV-BOPNBLERSA-N 2 1 252.308 2.305 20 0 CEADMP C[C@@H](N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422798577 394795044 /nfs/dbraw/zinc/79/50/44/394795044.db2.gz RVXRNWGNFRIPJT-OIISXLGYSA-N 2 1 279.472 2.371 20 0 CEADMP Cc1ncc(C[NH2+]CC[C@H]2CCC[NH2+]2)n1-c1ccccc1 ZINC000414906833 394798541 /nfs/dbraw/zinc/79/85/41/394798541.db2.gz POHYRLRSHJEVNZ-OAHLLOKOSA-N 2 1 284.407 2.412 20 0 CEADMP COC(=O)c1ccc(Cl)c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414909080 394799633 /nfs/dbraw/zinc/79/96/33/394799633.db2.gz BWEFOCFZUBUITA-OLZOCXBDSA-N 2 1 296.798 2.486 20 0 CEADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422805524 394799630 /nfs/dbraw/zinc/79/96/30/394799630.db2.gz JHKDIKQZYFPHDA-IAGOWNOFSA-N 3 1 275.440 2.498 20 0 CEADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+](CC[NH3+])CCO ZINC000414915492 394801881 /nfs/dbraw/zinc/80/18/81/394801881.db2.gz QMWAAIPPOQIJQI-OAHLLOKOSA-N 2 1 292.467 2.416 20 0 CEADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+](CC[NH3+])CCO ZINC000414915492 394801885 /nfs/dbraw/zinc/80/18/85/394801885.db2.gz QMWAAIPPOQIJQI-OAHLLOKOSA-N 2 1 292.467 2.416 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000422808468 394802242 /nfs/dbraw/zinc/80/22/42/394802242.db2.gz QLBIYFSPSYEPJM-HOCLYGCPSA-N 2 1 273.424 2.027 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000414919119 394803831 /nfs/dbraw/zinc/80/38/31/394803831.db2.gz WBUQSSAHMWSMAZ-VJANTYMQSA-N 2 1 299.462 2.096 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000414919119 394803833 /nfs/dbraw/zinc/80/38/33/394803833.db2.gz WBUQSSAHMWSMAZ-VJANTYMQSA-N 3 1 299.462 2.096 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000414919119 394803834 /nfs/dbraw/zinc/80/38/34/394803834.db2.gz WBUQSSAHMWSMAZ-VJANTYMQSA-N 3 1 299.462 2.096 20 0 CEADMP COc1cc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc(OC)c1 ZINC000275084151 394804706 /nfs/dbraw/zinc/80/47/06/394804706.db2.gz ZASIBBXFURBQSC-GUYCJALGSA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000275084151 394804707 /nfs/dbraw/zinc/80/47/07/394804707.db2.gz ZASIBBXFURBQSC-GUYCJALGSA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc(OC)c1 ZINC000275084151 394804710 /nfs/dbraw/zinc/80/47/10/394804710.db2.gz ZASIBBXFURBQSC-GUYCJALGSA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc(OC)c1 ZINC000275084151 394804712 /nfs/dbraw/zinc/80/47/12/394804712.db2.gz ZASIBBXFURBQSC-GUYCJALGSA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000275084151 394804713 /nfs/dbraw/zinc/80/47/13/394804713.db2.gz ZASIBBXFURBQSC-GUYCJALGSA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000275084151 394804715 /nfs/dbraw/zinc/80/47/15/394804715.db2.gz ZASIBBXFURBQSC-GUYCJALGSA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(OC)c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000414925799 394806619 /nfs/dbraw/zinc/80/66/19/394806619.db2.gz MGJAQRFRADVUSK-RYUDHWBXSA-N 2 1 294.395 2.072 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H](CC(C)C)[NH+](C)C ZINC000422815481 394806941 /nfs/dbraw/zinc/80/69/41/394806941.db2.gz BWVJYODNWKOWLH-BBRMVZONSA-N 2 1 292.471 2.476 20 0 CEADMP CCC(CC)(CCO)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422815779 394807798 /nfs/dbraw/zinc/80/77/98/394807798.db2.gz YJVLAKUZGJSOFW-GFCCVEGCSA-N 2 1 265.401 2.334 20 0 CEADMP Cc1nc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)cs1 ZINC000422818988 394809837 /nfs/dbraw/zinc/80/98/37/394809837.db2.gz LWYDXKHUMXOCJP-VIFPVBQESA-N 2 1 262.382 2.152 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)n[nH]2)CC[NH2+]1 ZINC000414939868 394813217 /nfs/dbraw/zinc/81/32/17/394813217.db2.gz BGVHJXRBXISTBX-GXTWGEPZSA-N 2 1 270.380 2.307 20 0 CEADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)C[NH3+])cc1Cl ZINC000414943193 394814311 /nfs/dbraw/zinc/81/43/11/394814311.db2.gz LRIPJWDLLHXKLR-QWRGUYRKSA-N 2 1 283.803 2.302 20 0 CEADMP N[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422827575 394815543 /nfs/dbraw/zinc/81/55/43/394815543.db2.gz NGHPKDHJDAIFNT-HZPDHXFCSA-N 2 1 293.480 2.430 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2ccccc2)CC[NH2+]1 ZINC000414947054 394816749 /nfs/dbraw/zinc/81/67/49/394816749.db2.gz KITSEARRPXJXFF-UONOGXRCSA-N 2 1 270.380 2.102 20 0 CEADMP C[C@@H](C[NH3+])[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000414947652 394817879 /nfs/dbraw/zinc/81/78/79/394817879.db2.gz VMCREMUZWPKZAU-ZJUUUORDSA-N 2 1 271.202 2.489 20 0 CEADMP CC(C)c1ncc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000414960424 394826211 /nfs/dbraw/zinc/82/62/11/394826211.db2.gz QSMBYUFCVXKRFJ-CMPLNLGQSA-N 2 1 253.415 2.354 20 0 CEADMP C[N@@H+](Cc1ccc(-c2cccc(F)c2)s1)C[C@@H](O)C[NH3+] ZINC000415047177 394862762 /nfs/dbraw/zinc/86/27/62/394862762.db2.gz AOJVPUBIQONETR-ZDUSSCGKSA-N 2 1 294.395 2.306 20 0 CEADMP C[N@H+](Cc1ccc(-c2cccc(F)c2)s1)C[C@@H](O)C[NH3+] ZINC000415047177 394862764 /nfs/dbraw/zinc/86/27/64/394862764.db2.gz AOJVPUBIQONETR-ZDUSSCGKSA-N 2 1 294.395 2.306 20 0 CEADMP CC(C)C[C@H]([NH3+])CN[C@H](CCC[NH3+])c1ccccc1 ZINC000415051917 394864851 /nfs/dbraw/zinc/86/48/51/394864851.db2.gz JXOYAGJWNWWUKJ-JKSUJKDBSA-N 2 1 263.429 2.430 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000415053849 394865845 /nfs/dbraw/zinc/86/58/45/394865845.db2.gz PEMQGLQZPVZHPO-DZGCQCFKSA-N 2 1 275.396 2.060 20 0 CEADMP CC(C)n1cc2c(n1)C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)CC2 ZINC000422945388 394867674 /nfs/dbraw/zinc/86/76/74/394867674.db2.gz UJXUCYVCJGWQFH-QEJZJMRPSA-N 2 1 276.428 2.051 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cccc3c2OCCCO3)C[C@@]1(C)C[NH3+] ZINC000415058687 394868727 /nfs/dbraw/zinc/86/87/27/394868727.db2.gz WKAFBTJAODBBGT-CXAGYDPISA-N 2 1 290.407 2.265 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2OCCCO3)C[C@@]1(C)C[NH3+] ZINC000415058687 394868731 /nfs/dbraw/zinc/86/87/31/394868731.db2.gz WKAFBTJAODBBGT-CXAGYDPISA-N 2 1 290.407 2.265 20 0 CEADMP Cc1nc(C)c(C[NH2+][C@H](C[NH3+])C2CCCC2)s1 ZINC000415063169 394870812 /nfs/dbraw/zinc/87/08/12/394870812.db2.gz GXMHNWWWKGFQID-GFCCVEGCSA-N 2 1 253.415 2.367 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)C[C@H]1C ZINC000415064694 394870872 /nfs/dbraw/zinc/87/08/72/394870872.db2.gz LCNASAHCJVYDFJ-SLBVQIDZSA-N 2 1 296.455 2.461 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH3+])CC1CCC(c2ccccc2)CC1 ZINC000415069520 394874269 /nfs/dbraw/zinc/87/42/69/394874269.db2.gz OTLGWWYVYNTHLR-PREGVCBESA-N 2 1 276.424 2.212 20 0 CEADMP CC(C)C[C@H](C[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000415072075 394875797 /nfs/dbraw/zinc/87/57/97/394875797.db2.gz VGSWVNAKBWZUPX-HZPDHXFCSA-N 2 1 264.413 2.068 20 0 CEADMP C[C@H](O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000336805139 394876367 /nfs/dbraw/zinc/87/63/67/394876367.db2.gz SYEPCKLVJGTWIS-PMPSAXMXSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@H](O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000336805139 394876371 /nfs/dbraw/zinc/87/63/71/394876371.db2.gz SYEPCKLVJGTWIS-PMPSAXMXSA-N 2 1 268.445 2.344 20 0 CEADMP CO[C@]1(C)CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000336804144 394877103 /nfs/dbraw/zinc/87/71/03/394877103.db2.gz LDLYJZPPLMNLFL-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP CO[C@]1(C)CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000336804144 394877106 /nfs/dbraw/zinc/87/71/06/394877106.db2.gz LDLYJZPPLMNLFL-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC[C@H]1CCC[NH+]1C ZINC000363459323 394877671 /nfs/dbraw/zinc/87/76/71/394877671.db2.gz KCYZQNKBQREGIQ-ZACQAIPSSA-N 2 1 279.472 2.419 20 0 CEADMP CC[C@@H]1C[NH+]2CCCC[C@H]2CN1CC[C@H]1CCC[N@@H+]1C ZINC000363459323 394877674 /nfs/dbraw/zinc/87/76/74/394877674.db2.gz KCYZQNKBQREGIQ-ZACQAIPSSA-N 2 1 279.472 2.419 20 0 CEADMP CC[C@@H]1C[NH+]2CCCC[C@H]2CN1CC[C@H]1CCC[N@H+]1C ZINC000363459323 394877676 /nfs/dbraw/zinc/87/76/76/394877676.db2.gz KCYZQNKBQREGIQ-ZACQAIPSSA-N 2 1 279.472 2.419 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336811075 394878363 /nfs/dbraw/zinc/87/83/63/394878363.db2.gz KZCHXNZCSBREHN-NWDGAFQWSA-N 2 1 282.350 2.416 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336811076 394878577 /nfs/dbraw/zinc/87/85/77/394878577.db2.gz KZCHXNZCSBREHN-RYUDHWBXSA-N 2 1 282.350 2.416 20 0 CEADMP CO[C@@H](C[NH2+]C[C@H]([NH3+])CC(C)C)c1ccc(F)cc1 ZINC000415084282 394881400 /nfs/dbraw/zinc/88/14/00/394881400.db2.gz ORWRFZQVHMTCSV-CABCVRRESA-N 2 1 268.376 2.476 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000422847282 394826420 /nfs/dbraw/zinc/82/64/20/394826420.db2.gz RBXSGWMPLUFPKC-HOTGVXAUSA-N 2 1 289.467 2.409 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000415084943 394882422 /nfs/dbraw/zinc/88/24/22/394882422.db2.gz PGIOLBPCIWJRGZ-WFASDCNBSA-N 2 1 275.396 2.265 20 0 CEADMP CC[NH2+][C@H](C)CN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414964899 394828432 /nfs/dbraw/zinc/82/84/32/394828432.db2.gz VARKNBQCQOQVRV-VYDXJSESSA-N 2 1 275.440 2.410 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000414968849 394830574 /nfs/dbraw/zinc/83/05/74/394830574.db2.gz YOWZHEYGTSFUGI-YGRLFVJLSA-N 2 1 252.789 2.395 20 0 CEADMP Cc1ccc(OCCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422854134 394830955 /nfs/dbraw/zinc/83/09/55/394830955.db2.gz AGAKPYPWZBIMEC-GOEBONIOSA-N 2 1 262.397 2.352 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422855075 394831848 /nfs/dbraw/zinc/83/18/48/394831848.db2.gz DHOCQDDHVRJNFE-RBSFLKMASA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422855075 394831850 /nfs/dbraw/zinc/83/18/50/394831850.db2.gz DHOCQDDHVRJNFE-RBSFLKMASA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422855862 394831949 /nfs/dbraw/zinc/83/19/49/394831949.db2.gz FMSIRXXFWUVDFM-TWMKSMIVSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@@H]1CCCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422855862 394831951 /nfs/dbraw/zinc/83/19/51/394831951.db2.gz FMSIRXXFWUVDFM-TWMKSMIVSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)[C@H]1CCC[NH2+]1 ZINC000422857575 394832970 /nfs/dbraw/zinc/83/29/70/394832970.db2.gz HABOBJPVPQLVIW-WMLDXEAASA-N 2 1 284.407 2.145 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000361657424 394833685 /nfs/dbraw/zinc/83/36/85/394833685.db2.gz CKANBFOHOSRNQV-APIJFGDWSA-N 2 1 276.428 2.079 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000422859077 394833977 /nfs/dbraw/zinc/83/39/77/394833977.db2.gz JPMLOIGAZIDEKY-QLFBSQMISA-N 3 1 255.450 2.356 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000422859077 394833981 /nfs/dbraw/zinc/83/39/81/394833981.db2.gz JPMLOIGAZIDEKY-QLFBSQMISA-N 3 1 255.450 2.356 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000414978564 394834409 /nfs/dbraw/zinc/83/44/09/394834409.db2.gz TUIBXQRKHRYGON-OAHLLOKOSA-N 2 1 278.444 2.023 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000422868667 394839851 /nfs/dbraw/zinc/83/98/51/394839851.db2.gz VHOMJYYZRGHQJK-KMCQBPLKSA-N 2 1 287.451 2.160 20 0 CEADMP Cc1ccc(F)c(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000415000021 394843013 /nfs/dbraw/zinc/84/30/13/394843013.db2.gz JUUPNTLVQNJWIL-LBPRGKRZSA-N 2 1 272.314 2.469 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC1([NH+](C)C)CCCC1 ZINC000125529019 394843996 /nfs/dbraw/zinc/84/39/96/394843996.db2.gz PBXRSTNWGDBXRL-RBSFLKMASA-N 2 1 267.461 2.179 20 0 CEADMP COc1cc(C[NH2+]C[C@H]([NH3+])CC(C)C)ccc1C ZINC000415086845 394883545 /nfs/dbraw/zinc/88/35/45/394883545.db2.gz VDNBSKFDSYJKJW-CQSZACIVSA-N 2 1 250.386 2.467 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)[C@H](C)[NH3+] ZINC000415012593 394848628 /nfs/dbraw/zinc/84/86/28/394848628.db2.gz SUHUYPXFGOCRHE-DTWKUNHWSA-N 2 1 262.275 2.411 20 0 CEADMP CCCOc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1OC ZINC000415013406 394849337 /nfs/dbraw/zinc/84/93/37/394849337.db2.gz UYNDQAQNBZKXQJ-RYUDHWBXSA-N 2 1 266.385 2.309 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000422885011 394849299 /nfs/dbraw/zinc/84/92/99/394849299.db2.gz SYRNGBYNBHZTBU-SOUVJXGZSA-N 3 1 255.450 2.214 20 0 CEADMP Cc1nc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)sc1C ZINC000422888241 394850908 /nfs/dbraw/zinc/85/09/08/394850908.db2.gz CGXZECJOCVACCG-CMPLNLGQSA-N 2 1 253.415 2.033 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000422895434 394853639 /nfs/dbraw/zinc/85/36/39/394853639.db2.gz VZHYXVNEKQJZOB-OIISXLGYSA-N 2 1 281.488 2.475 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)C1CCCC1 ZINC000415033765 394856931 /nfs/dbraw/zinc/85/69/31/394856931.db2.gz BZFRKDHCPNWDIS-CQSZACIVSA-N 2 1 276.380 2.065 20 0 CEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000423175711 394887356 /nfs/dbraw/zinc/88/73/56/394887356.db2.gz AWBDHYLGCCYUEA-ZDUSSCGKSA-N 2 1 270.380 2.275 20 0 CEADMP Cc1cccc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)n1 ZINC000423085509 394886061 /nfs/dbraw/zinc/88/60/61/394886061.db2.gz KRSCDZIXDFLLJV-LBPRGKRZSA-N 2 1 256.353 2.091 20 0 CEADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)CC2 ZINC000423313189 394889996 /nfs/dbraw/zinc/88/99/96/394889996.db2.gz FIWSUAOBUVJTQJ-KBPBESRZSA-N 2 1 276.380 2.018 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000415102010 394890120 /nfs/dbraw/zinc/89/01/20/394890120.db2.gz CAQMOONRCHMZBD-HIFRSBDPSA-N 2 1 284.407 2.493 20 0 CEADMP CN(CCNC(=O)OC(C)(C)C)CC[C@H]1CCCC[N@H+]1C ZINC000130620007 394891969 /nfs/dbraw/zinc/89/19/69/394891969.db2.gz NQFRGZDQEUWUOD-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP C[N@H+](CCNC(=O)OC(C)(C)C)CC[C@H]1CCCC[NH+]1C ZINC000130620007 394891974 /nfs/dbraw/zinc/89/19/74/394891974.db2.gz NQFRGZDQEUWUOD-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP C[N@@H+](CCNC(=O)OC(C)(C)C)CC[C@H]1CCCC[NH+]1C ZINC000130620007 394891976 /nfs/dbraw/zinc/89/19/76/394891976.db2.gz NQFRGZDQEUWUOD-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP C[NH+](CCNC(=O)OC(C)(C)C)CC[C@H]1CCCC[N@@H+]1C ZINC000130620007 394891978 /nfs/dbraw/zinc/89/19/78/394891978.db2.gz NQFRGZDQEUWUOD-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP C[NH+](CCNC(=O)OC(C)(C)C)CC[C@H]1CCCC[N@H+]1C ZINC000130620007 394891983 /nfs/dbraw/zinc/89/19/83/394891983.db2.gz NQFRGZDQEUWUOD-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(F)c(CN(C)C)c2)CC[NH2+]1 ZINC000415111569 394893275 /nfs/dbraw/zinc/89/32/75/394893275.db2.gz RENWQSKJAPHJNR-UKRRQHHQSA-N 2 1 293.430 2.365 20 0 CEADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415115472 394894713 /nfs/dbraw/zinc/89/47/13/394894713.db2.gz YLLLYCUOFHPSJM-KKUMJFAQSA-N 2 1 294.443 2.086 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cn1 ZINC000415130383 394900242 /nfs/dbraw/zinc/90/02/42/394900242.db2.gz QUBFDSQJQKQAPL-CZUORRHYSA-N 2 1 261.413 2.239 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C[C@@H]1C[NH3+] ZINC000415134317 394901048 /nfs/dbraw/zinc/90/10/48/394901048.db2.gz VYHKQCPUEGHNBZ-RYUDHWBXSA-N 2 1 264.417 2.124 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000423362557 394901266 /nfs/dbraw/zinc/90/12/66/394901266.db2.gz BFTZOGVJHPJGJV-FHLIZLRMSA-N 2 1 296.418 2.348 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2cccc3c2OCCCO3)C[C@@H]1C[NH3+] ZINC000415137678 394902585 /nfs/dbraw/zinc/90/25/85/394902585.db2.gz YFKZQRMVUYEVSC-HIFRSBDPSA-N 2 1 290.407 2.265 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C[C@@H]1C[NH3+] ZINC000415137678 394902589 /nfs/dbraw/zinc/90/25/89/394902589.db2.gz YFKZQRMVUYEVSC-HIFRSBDPSA-N 2 1 290.407 2.265 20 0 CEADMP C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000364463428 394906404 /nfs/dbraw/zinc/90/64/04/394906404.db2.gz FIDKRCCRSADHHA-BZUAXINKSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@@H]2CCC[C@H]21 ZINC000423386604 394908866 /nfs/dbraw/zinc/90/88/66/394908866.db2.gz LZXIIINIDLMBHC-OKZBNKHCSA-N 3 1 285.435 2.252 20 0 CEADMP C[N@@H+]1CC[C@H](NCc2ccc3c(c2)C[NH2+]C3)[C@@H]2CCC[C@H]21 ZINC000423386604 394908871 /nfs/dbraw/zinc/90/88/71/394908871.db2.gz LZXIIINIDLMBHC-OKZBNKHCSA-N 2 1 285.435 2.252 20 0 CEADMP C[N@H+]1CC[C@H](NCc2ccc3c(c2)C[NH2+]C3)[C@@H]2CCC[C@H]21 ZINC000423386604 394908875 /nfs/dbraw/zinc/90/88/75/394908875.db2.gz LZXIIINIDLMBHC-OKZBNKHCSA-N 2 1 285.435 2.252 20 0 CEADMP CN1CC[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@@H]2CCC[C@H]21 ZINC000423386604 394908882 /nfs/dbraw/zinc/90/88/82/394908882.db2.gz LZXIIINIDLMBHC-OKZBNKHCSA-N 2 1 285.435 2.252 20 0 CEADMP CC(C)c1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000131465396 394911686 /nfs/dbraw/zinc/91/16/86/394911686.db2.gz WMGFRUQIEZBJLR-MRXNPFEDSA-N 2 1 264.413 2.212 20 0 CEADMP COC[C@H](C)C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000131683042 394915989 /nfs/dbraw/zinc/91/59/89/394915989.db2.gz VVKAZYPZKDJXHH-OAHLLOKOSA-N 2 1 264.413 2.381 20 0 CEADMP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000423443868 394922519 /nfs/dbraw/zinc/92/25/19/394922519.db2.gz KWAFYNUIOPUCIJ-LOWVWBTDSA-N 2 1 266.385 2.480 20 0 CEADMP CC[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423458370 394925812 /nfs/dbraw/zinc/92/58/12/394925812.db2.gz GTXLBPTVBRAOLY-XHSDSOJGSA-N 2 1 261.413 2.149 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc2ccccc21 ZINC000423487263 394932471 /nfs/dbraw/zinc/93/24/71/394932471.db2.gz WXQCTZCYEVSFMT-ZBFHGGJFSA-N 2 1 283.419 2.394 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(F)c1 ZINC000423491363 394934663 /nfs/dbraw/zinc/93/46/63/394934663.db2.gz JJMHQUUTZCZRGP-HUUCEWRRSA-N 2 1 266.360 2.245 20 0 CEADMP C[C@@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000132636232 394934788 /nfs/dbraw/zinc/93/47/88/394934788.db2.gz RHGJAKPKSRKPDD-UKRRQHHQSA-N 2 1 279.472 2.464 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)s1 ZINC000423498763 394935968 /nfs/dbraw/zinc/93/59/68/394935968.db2.gz CAMAUKUKDUJTSO-VXGBXAGGSA-N 2 1 254.399 2.086 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)[C@@H]1C ZINC000423497894 394936383 /nfs/dbraw/zinc/93/63/83/394936383.db2.gz HOJBGOHBHFRTPJ-UQOMUDLDSA-N 2 1 282.428 2.071 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC000423504718 394939228 /nfs/dbraw/zinc/93/92/28/394939228.db2.gz NWCKPQBCPZATQX-GRYCIOLGSA-N 2 1 280.334 2.203 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000423522063 394943883 /nfs/dbraw/zinc/94/38/83/394943883.db2.gz RGRYVKFHBYJVHY-SQNIBIBYSA-N 2 1 287.451 2.206 20 0 CEADMP Cc1nc2c(s1)[C@H]([NH2+]CCC[NH+](C)C)CCC2 ZINC000151947470 394982223 /nfs/dbraw/zinc/98/22/23/394982223.db2.gz QDYIXIUPZDTQIA-LLVKDONJSA-N 2 1 253.415 2.370 20 0 CEADMP COCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000152116440 394987771 /nfs/dbraw/zinc/98/77/71/394987771.db2.gz LVMHRURWJIYITP-UHFFFAOYSA-N 2 1 280.387 2.069 20 0 CEADMP CC(C)n1ccnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342102087 395009755 /nfs/dbraw/zinc/00/97/55/395009755.db2.gz LOYHPKONMGVYHH-BFHYXJOUSA-N 2 1 262.401 2.023 20 0 CEADMP CC(C)n1ccnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342102087 395009756 /nfs/dbraw/zinc/00/97/56/395009756.db2.gz LOYHPKONMGVYHH-BFHYXJOUSA-N 2 1 262.401 2.023 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3OCCO4)C[C@@H]21 ZINC000342084500 395010119 /nfs/dbraw/zinc/01/01/19/395010119.db2.gz LLLWHSZKROUSLR-VHDGCEQUSA-N 2 1 288.391 2.017 20 0 CEADMP Cc1ccc2ncc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)n2c1 ZINC000370895627 395021510 /nfs/dbraw/zinc/02/15/10/395021510.db2.gz PRAMQZRHWNIWDN-HUUCEWRRSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)n2c1 ZINC000370895627 395021513 /nfs/dbraw/zinc/02/15/13/395021513.db2.gz PRAMQZRHWNIWDN-HUUCEWRRSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)n2c1 ZINC000370895627 395021517 /nfs/dbraw/zinc/02/15/17/395021517.db2.gz PRAMQZRHWNIWDN-HUUCEWRRSA-N 2 1 284.407 2.359 20 0 CEADMP CC1CC[NH+](CCN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000154718597 395024414 /nfs/dbraw/zinc/02/44/14/395024414.db2.gz UOYNRMCLTAFBCO-SJORKVTESA-N 2 1 279.472 2.134 20 0 CEADMP CC(C)NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367130272 394958044 /nfs/dbraw/zinc/95/80/44/394958044.db2.gz YSGLVHRNRZSZBQ-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP COCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340168182 394979609 /nfs/dbraw/zinc/97/96/09/394979609.db2.gz QJPUOPZDRFHZHH-JKSUJKDBSA-N 2 1 262.397 2.448 20 0 CEADMP COCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340168182 394979614 /nfs/dbraw/zinc/97/96/14/394979614.db2.gz QJPUOPZDRFHZHH-JKSUJKDBSA-N 2 1 262.397 2.448 20 0 CEADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340203400 394980283 /nfs/dbraw/zinc/98/02/83/394980283.db2.gz MZIQEULNINZMAJ-DJIMGWMZSA-N 2 1 299.422 2.092 20 0 CEADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340203400 394980286 /nfs/dbraw/zinc/98/02/86/394980286.db2.gz MZIQEULNINZMAJ-DJIMGWMZSA-N 2 1 299.422 2.092 20 0 CEADMP CC(C)OCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158544691 395047827 /nfs/dbraw/zinc/04/78/27/395047827.db2.gz FQVQEEYWWVFGOD-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)OCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158544691 395047829 /nfs/dbraw/zinc/04/78/29/395047829.db2.gz FQVQEEYWWVFGOD-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)OCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158544691 395047833 /nfs/dbraw/zinc/04/78/33/395047833.db2.gz FQVQEEYWWVFGOD-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP CCC[N@H+]1CC[C@H](CNCc2cncc(F)c2)C1 ZINC000494545253 395119412 /nfs/dbraw/zinc/11/94/12/395119412.db2.gz FYBMEHJAOSFUJJ-GFCCVEGCSA-N 2 1 251.349 2.042 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000494545253 395119416 /nfs/dbraw/zinc/11/94/16/395119416.db2.gz FYBMEHJAOSFUJJ-GFCCVEGCSA-N 2 1 251.349 2.042 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000494545253 395119421 /nfs/dbraw/zinc/11/94/21/395119421.db2.gz FYBMEHJAOSFUJJ-GFCCVEGCSA-N 2 1 251.349 2.042 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC000174953901 395130065 /nfs/dbraw/zinc/13/00/65/395130065.db2.gz NNHALTFXWQUBOA-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000174953901 395130070 /nfs/dbraw/zinc/13/00/70/395130070.db2.gz NNHALTFXWQUBOA-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000174953901 395130073 /nfs/dbraw/zinc/13/00/73/395130073.db2.gz NNHALTFXWQUBOA-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000436310594 395108237 /nfs/dbraw/zinc/10/82/37/395108237.db2.gz RRSZEEWWYSMMSQ-QKGCVVFFSA-N 2 1 282.428 2.037 20 0 CEADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346840661 395109317 /nfs/dbraw/zinc/10/93/17/395109317.db2.gz GCXGGAOFBGPSFC-HUUCEWRRSA-N 2 1 299.422 2.260 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494678507 395135623 /nfs/dbraw/zinc/13/56/23/395135623.db2.gz BQSQWUWODJWVKM-JKSUJKDBSA-N 2 1 295.471 2.289 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000348415638 395143627 /nfs/dbraw/zinc/14/36/27/395143627.db2.gz QSUJECVQVHUEFH-XJKCOSOUSA-N 2 1 296.842 2.346 20 0 CEADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)n(C)n1 ZINC000417888052 395158896 /nfs/dbraw/zinc/15/88/96/395158896.db2.gz ZMKHHKMMKIORHN-AWEZNQCLSA-N 2 1 278.444 2.330 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000381017651 395171025 /nfs/dbraw/zinc/17/10/25/395171025.db2.gz LDLSVVLYASOBIY-CWRNSKLLSA-N 2 1 262.397 2.433 20 0 CEADMP CC1CCC(N2CC[NH+](CC3CC[NH2+]CC3)CC2)CC1 ZINC000178981421 395176288 /nfs/dbraw/zinc/17/62/88/395176288.db2.gz OVLMCHCKYREXPC-UHFFFAOYSA-N 2 1 279.472 2.182 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C1CC1)C1CCC(C)CC1 ZINC000519832368 395225999 /nfs/dbraw/zinc/22/59/99/395225999.db2.gz JZGBHRKMSBAPJY-XUJLQICISA-N 2 1 268.445 2.342 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C1CC1)C1CCC(C)CC1 ZINC000519832368 395226007 /nfs/dbraw/zinc/22/60/07/395226007.db2.gz JZGBHRKMSBAPJY-XUJLQICISA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000519832368 395226011 /nfs/dbraw/zinc/22/60/11/395226011.db2.gz JZGBHRKMSBAPJY-XUJLQICISA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000519832368 395226015 /nfs/dbraw/zinc/22/60/15/395226015.db2.gz JZGBHRKMSBAPJY-XUJLQICISA-N 2 1 268.445 2.342 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cn[nH]c3)CC2)[nH+]c1 ZINC000438843849 395231657 /nfs/dbraw/zinc/23/16/57/395231657.db2.gz SQMDTMPDNSPGPB-ZDUSSCGKSA-N 2 1 285.395 2.433 20 0 CEADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000519639132 395201096 /nfs/dbraw/zinc/20/10/96/395201096.db2.gz FOGJGQLYJIJMLH-IINYFYTJSA-N 2 1 287.407 2.304 20 0 CEADMP C[C@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000394427577 395205474 /nfs/dbraw/zinc/20/54/74/395205474.db2.gz IDGRBOKFZGYEDI-YJBOKZPZSA-N 2 1 298.434 2.348 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000394427577 395205478 /nfs/dbraw/zinc/20/54/78/395205478.db2.gz IDGRBOKFZGYEDI-YJBOKZPZSA-N 2 1 298.434 2.348 20 0 CEADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC000394635089 395207269 /nfs/dbraw/zinc/20/72/69/395207269.db2.gz SDCFCHPVULMFHN-INIZCTEOSA-N 2 1 295.471 2.134 20 0 CEADMP CCc1cnc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)s1 ZINC000394733362 395209198 /nfs/dbraw/zinc/20/91/98/395209198.db2.gz UBRBALYQQPSZAI-NSHDSACASA-N 2 1 253.415 2.266 20 0 CEADMP C[C@@H](C[NH2+]CC[C@@H]1CCOC1)[NH+]1CCC(C)CC1 ZINC000438213186 395213734 /nfs/dbraw/zinc/21/37/34/395213734.db2.gz NBLFRCYSTHFISG-LSDHHAIUSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400507049 395252880 /nfs/dbraw/zinc/25/28/80/395252880.db2.gz IFFKYGFMHOLTSH-SZMVWBNQSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@H](NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400440793 395252902 /nfs/dbraw/zinc/25/29/02/395252902.db2.gz ODDWZNZAMIPHSM-HOCLYGCPSA-N 2 1 267.461 2.371 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000420294390 395300606 /nfs/dbraw/zinc/30/06/06/395300606.db2.gz SPAIXXUOXPXLQL-ZBFHGGJFSA-N 2 1 297.487 2.471 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000420294390 395300610 /nfs/dbraw/zinc/30/06/10/395300610.db2.gz SPAIXXUOXPXLQL-ZBFHGGJFSA-N 2 1 297.487 2.471 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000440116191 395300998 /nfs/dbraw/zinc/30/09/98/395300998.db2.gz DQPBQJLMROFMPG-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440116191 395301004 /nfs/dbraw/zinc/30/10/04/395301004.db2.gz DQPBQJLMROFMPG-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440116191 395301007 /nfs/dbraw/zinc/30/10/07/395301007.db2.gz DQPBQJLMROFMPG-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H](CCO)c1ccccc1 ZINC000420298188 395304627 /nfs/dbraw/zinc/30/46/27/395304627.db2.gz GZFWXJVDZLLNRS-GDBMZVCRSA-N 2 1 262.397 2.042 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCc3ccncc3)C[C@@H]21 ZINC000420302434 395307225 /nfs/dbraw/zinc/30/72/25/395307225.db2.gz GCCUAZHYEOMLCY-OWCLPIDISA-N 2 1 259.397 2.073 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000420307512 395310843 /nfs/dbraw/zinc/31/08/43/395310843.db2.gz ITGHOIYOUGLGSM-LBPRGKRZSA-N 2 1 278.400 2.288 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000420307512 395310850 /nfs/dbraw/zinc/31/08/50/395310850.db2.gz ITGHOIYOUGLGSM-LBPRGKRZSA-N 2 1 278.400 2.288 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420305606 395311205 /nfs/dbraw/zinc/31/12/05/395311205.db2.gz PQDUPXJVEWBRAS-OAHLLOKOSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)N1CCC([N@H+](C)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420305606 395311209 /nfs/dbraw/zinc/31/12/09/395311209.db2.gz PQDUPXJVEWBRAS-OAHLLOKOSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)N1CCC([N@@H+](C)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420305606 395311214 /nfs/dbraw/zinc/31/12/14/395311214.db2.gz PQDUPXJVEWBRAS-OAHLLOKOSA-N 2 1 267.461 2.181 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000353940161 395311661 /nfs/dbraw/zinc/31/16/61/395311661.db2.gz BECSBPFANLYSJD-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)(C)C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000420306644 395311809 /nfs/dbraw/zinc/31/18/09/395311809.db2.gz QSQMLGSOCQRWEY-UHFFFAOYSA-N 2 1 289.467 2.440 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC=CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354041002 395314592 /nfs/dbraw/zinc/31/45/92/395314592.db2.gz QFQVFYPYQPCXND-KURKYZTESA-N 2 1 291.483 2.301 20 0 CEADMP C(C[N@@H+](C[C@@H]1CCCO1)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000420311902 395316445 /nfs/dbraw/zinc/31/64/45/395316445.db2.gz WGBUUGSXKNHWHL-ZBFHGGJFSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000420313466 395317768 /nfs/dbraw/zinc/31/77/68/395317768.db2.gz UALNEUMDBMRIIE-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000420313466 395317773 /nfs/dbraw/zinc/31/77/73/395317773.db2.gz UALNEUMDBMRIIE-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000420314088 395318673 /nfs/dbraw/zinc/31/86/73/395318673.db2.gz YSJGIIQIRUJZKX-CABCVRRESA-N 2 1 254.418 2.267 20 0 CEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1nc2c(s1)CCCC2 ZINC000420314985 395318686 /nfs/dbraw/zinc/31/86/86/395318686.db2.gz KSSOKZRXWQXBFG-GFCCVEGCSA-N 2 1 279.453 2.453 20 0 CEADMP COC[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690010 395323048 /nfs/dbraw/zinc/32/30/48/395323048.db2.gz YQNSXWKKRXQWDU-ZDUSSCGKSA-N 2 1 277.412 2.434 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CCO1 ZINC000352619131 395264436 /nfs/dbraw/zinc/26/44/36/395264436.db2.gz ZGNJRSNVMKJDSC-GBJTYRQASA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CCO1 ZINC000352619131 395264440 /nfs/dbraw/zinc/26/44/40/395264440.db2.gz ZGNJRSNVMKJDSC-GBJTYRQASA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000352619131 395264445 /nfs/dbraw/zinc/26/44/45/395264445.db2.gz ZGNJRSNVMKJDSC-GBJTYRQASA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000352619131 395264447 /nfs/dbraw/zinc/26/44/47/395264447.db2.gz ZGNJRSNVMKJDSC-GBJTYRQASA-N 2 1 254.418 2.216 20 0 CEADMP Cc1nccn1C[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420321738 395324264 /nfs/dbraw/zinc/32/42/64/395324264.db2.gz RODFZXCXKVYCMR-JKSUJKDBSA-N 2 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420321738 395324265 /nfs/dbraw/zinc/32/42/65/395324265.db2.gz RODFZXCXKVYCMR-JKSUJKDBSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420321738 395324269 /nfs/dbraw/zinc/32/42/69/395324269.db2.gz RODFZXCXKVYCMR-JKSUJKDBSA-N 3 1 276.428 2.046 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(CC(=O)OC)CC2)C[C@H]1C ZINC000440781768 395355152 /nfs/dbraw/zinc/35/51/52/395355152.db2.gz CALQSHJOSYCQEE-KGLIPLIRSA-N 2 1 282.428 2.134 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(CC(=O)OC)CC2)C[C@H]1C ZINC000440781768 395355157 /nfs/dbraw/zinc/35/51/57/395355157.db2.gz CALQSHJOSYCQEE-KGLIPLIRSA-N 2 1 282.428 2.134 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(CC(=O)OC)CC2)C[C@H]1C ZINC000440781768 395355160 /nfs/dbraw/zinc/35/51/60/395355160.db2.gz CALQSHJOSYCQEE-KGLIPLIRSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH2+]CCC[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000420369715 395355337 /nfs/dbraw/zinc/35/53/37/395355337.db2.gz YBSCUZGFVIBZLL-CQSZACIVSA-N 2 1 268.788 2.403 20 0 CEADMP C[NH2+]CCC[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000420369715 395355340 /nfs/dbraw/zinc/35/53/40/395355340.db2.gz YBSCUZGFVIBZLL-CQSZACIVSA-N 2 1 268.788 2.403 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1cccc(F)c1 ZINC000420368699 395355724 /nfs/dbraw/zinc/35/57/24/395355724.db2.gz UMUBLXJIUQALSK-CYBMUJFWSA-N 2 1 254.349 2.168 20 0 CEADMP CCC[C@H]1CN(C[C@@H](C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000420371188 395356656 /nfs/dbraw/zinc/35/66/56/395356656.db2.gz KIDKTTJHWVSIOU-WBVHZDCISA-N 2 1 275.440 2.320 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCc1nc2ccccc2n1C ZINC000420371746 395356777 /nfs/dbraw/zinc/35/67/77/395356777.db2.gz PQFXSOHGELFFMC-IIYDPXPESA-N 2 1 286.423 2.092 20 0 CEADMP Cn1nccc1[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420375826 395362817 /nfs/dbraw/zinc/36/28/17/395362817.db2.gz PTQDIJWSSNAOPW-GDBMZVCRSA-N 2 1 276.428 2.337 20 0 CEADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000420419321 395375598 /nfs/dbraw/zinc/37/55/98/395375598.db2.gz XQCLFPNYIBDIDH-CHWSQXEVSA-N 2 1 298.390 2.332 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C ZINC000441342564 395387233 /nfs/dbraw/zinc/38/72/33/395387233.db2.gz UBGARHJCDWBBBR-BZUAXINKSA-N 2 1 281.488 2.427 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000435884232 395394120 /nfs/dbraw/zinc/39/41/20/395394120.db2.gz PJAXKFDAJXZUOJ-UHFFFAOYSA-N 2 1 258.312 2.329 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000435884232 395394124 /nfs/dbraw/zinc/39/41/24/395394124.db2.gz PJAXKFDAJXZUOJ-UHFFFAOYSA-N 2 1 258.312 2.329 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327592 395329585 /nfs/dbraw/zinc/32/95/85/395329585.db2.gz LOAJIGGLCUIRCP-CVEARBPZSA-N 2 1 296.455 2.431 20 0 CEADMP CC(C)n1ccnc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329467 395330829 /nfs/dbraw/zinc/33/08/29/395330829.db2.gz OIUIUCRAUAECTE-CABCVRRESA-N 2 1 276.428 2.286 20 0 CEADMP COCCCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330166 395331473 /nfs/dbraw/zinc/33/14/73/395331473.db2.gz POBLQQRLLKXPCC-GJZGRUSLSA-N 2 1 254.418 2.125 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccccc2)CC12CCOCC2 ZINC000420332137 395333303 /nfs/dbraw/zinc/33/33/03/395333303.db2.gz RJGDFRREJQJFFN-QGZVFWFLSA-N 2 1 288.435 2.307 20 0 CEADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000354648800 395337169 /nfs/dbraw/zinc/33/71/69/395337169.db2.gz NKVJBUZZRHEXQB-ARFHVFGLSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000354648800 395337171 /nfs/dbraw/zinc/33/71/71/395337171.db2.gz NKVJBUZZRHEXQB-ARFHVFGLSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)n1ccnc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420343396 395338307 /nfs/dbraw/zinc/33/83/07/395338307.db2.gz YVTADDSEZHNRJR-OAHLLOKOSA-N 2 1 276.428 2.428 20 0 CEADMP CC1CCC(N(C)C(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)CC1 ZINC000420353853 395341220 /nfs/dbraw/zinc/34/12/20/395341220.db2.gz CFVZGJKPEQVPRP-NRXISQOPSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000420352468 395341503 /nfs/dbraw/zinc/34/15/03/395341503.db2.gz AIWMCDUKTCAZTD-HNNXBMFYSA-N 2 1 294.395 2.147 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)Cc1ccc(C)cc1 ZINC000565489088 395473693 /nfs/dbraw/zinc/47/36/93/395473693.db2.gz LTEZWWHDRYTCTD-INIZCTEOSA-N 2 1 278.440 2.218 20 0 CEADMP Cc1c[nH+]ccc1NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000195337557 395464324 /nfs/dbraw/zinc/46/43/24/395464324.db2.gz DFQOEVKDOPBMOL-CQSZACIVSA-N 2 1 263.385 2.159 20 0 CEADMP Cc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccn1 ZINC000529569677 395408617 /nfs/dbraw/zinc/40/86/17/395408617.db2.gz QANLJJHKMPOMIQ-JKSUJKDBSA-N 2 1 259.397 2.306 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](Cc3nccn3C)C2)CCO1 ZINC000355364950 395423317 /nfs/dbraw/zinc/42/33/17/395423317.db2.gz FFEWDWGRQCWJIP-BZUAXINKSA-N 2 1 291.439 2.490 20 0 CEADMP COC(=O)[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000355380246 395429370 /nfs/dbraw/zinc/42/93/70/395429370.db2.gz HWQQHIRMXXZIRR-DZGCQCFKSA-N 2 1 293.411 2.103 20 0 CEADMP COC(=O)[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000355380246 395429372 /nfs/dbraw/zinc/42/93/72/395429372.db2.gz HWQQHIRMXXZIRR-DZGCQCFKSA-N 2 1 293.411 2.103 20 0 CEADMP C[NH+](C)CC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000444582887 395438131 /nfs/dbraw/zinc/43/81/31/395438131.db2.gz LAKOCGKTSVWUIN-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP C[NH+](C)CC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000444582887 395438132 /nfs/dbraw/zinc/43/81/32/395438132.db2.gz LAKOCGKTSVWUIN-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP C(C[NH+]1CCCCC1)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000444596618 395438404 /nfs/dbraw/zinc/43/84/04/395438404.db2.gz MCHULVQOYBNVBC-KRWDZBQOSA-N 2 1 296.455 2.132 20 0 CEADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449415129 395547510 /nfs/dbraw/zinc/54/75/10/395547510.db2.gz NHQNGPCUAAQMRT-JJXSEGSLSA-N 2 1 294.439 2.325 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000449560489 395554811 /nfs/dbraw/zinc/55/48/11/395554811.db2.gz LTXXTFVFMOHLPR-NIOBXDJOSA-N 2 1 266.429 2.406 20 0 CEADMP CC[NH2+]CCCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000574391388 395629016 /nfs/dbraw/zinc/62/90/16/395629016.db2.gz ZXYTZAGIGIFCJR-SJORKVTESA-N 2 1 275.440 2.411 20 0 CEADMP CC[NH2+]CCCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000574391386 395629035 /nfs/dbraw/zinc/62/90/35/395629035.db2.gz ZXYTZAGIGIFCJR-IRXDYDNUSA-N 2 1 275.440 2.411 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cn2ccccc2n1 ZINC000574770897 395637278 /nfs/dbraw/zinc/63/72/78/395637278.db2.gz MJBWPARKXPEOFU-RDBSUJKOSA-N 2 1 272.396 2.468 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000574925294 395641608 /nfs/dbraw/zinc/64/16/08/395641608.db2.gz WPKASXGFYJSUAH-IRXDYDNUSA-N 2 1 294.414 2.145 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000574925294 395641609 /nfs/dbraw/zinc/64/16/09/395641609.db2.gz WPKASXGFYJSUAH-IRXDYDNUSA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000574925294 395641610 /nfs/dbraw/zinc/64/16/10/395641610.db2.gz WPKASXGFYJSUAH-IRXDYDNUSA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000574925294 395641611 /nfs/dbraw/zinc/64/16/11/395641611.db2.gz WPKASXGFYJSUAH-IRXDYDNUSA-N 2 1 294.414 2.145 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000574981277 395642702 /nfs/dbraw/zinc/64/27/02/395642702.db2.gz PFGVTMAUUBAUHW-LYAPFXNSSA-N 2 1 274.408 2.322 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000574981279 395642812 /nfs/dbraw/zinc/64/28/12/395642812.db2.gz PFGVTMAUUBAUHW-YJNKEBTESA-N 2 1 274.408 2.322 20 0 CEADMP COCC(C)(C)C[NH2+]CCCCn1cc[nH+]c1C ZINC000494040541 395678843 /nfs/dbraw/zinc/67/88/43/395678843.db2.gz YAFGDJILIFTEMD-UHFFFAOYSA-N 2 1 253.390 2.234 20 0 CEADMP COCC(C)(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000494109971 395679356 /nfs/dbraw/zinc/67/93/56/395679356.db2.gz XTIXEUAIXUHDQD-AGUYFDCRSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000647509932 395724291 /nfs/dbraw/zinc/72/42/91/395724291.db2.gz YIDHDXDMSFLYSK-TZMCWYRMSA-N 2 1 255.365 2.404 20 0 CEADMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCC(C)(C)C1 ZINC000647493096 395721001 /nfs/dbraw/zinc/72/10/01/395721001.db2.gz UMCWQMQEGHBJFX-HNNXBMFYSA-N 2 1 267.461 2.040 20 0 CEADMP CC[C@H]1C[N@H+](Cc2c(C)nc3ccccn32)CC[C@@H]1[NH3+] ZINC000647498832 395722344 /nfs/dbraw/zinc/72/23/44/395722344.db2.gz RUHSTPQEIJKRGK-KBPBESRZSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2c(C)nc3ccccn32)CC[C@@H]1[NH3+] ZINC000647498832 395722346 /nfs/dbraw/zinc/72/23/46/395722346.db2.gz RUHSTPQEIJKRGK-KBPBESRZSA-N 2 1 272.396 2.202 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000647505946 395723313 /nfs/dbraw/zinc/72/33/13/395723313.db2.gz RQTOXYHFDJCAQD-UHFFFAOYSA-N 3 1 293.455 2.044 20 0 CEADMP CN(Cc1ccc(OCC[NH+](C)C)cc1)CC(C)(C)C[NH3+] ZINC000647505946 395723315 /nfs/dbraw/zinc/72/33/15/395723315.db2.gz RQTOXYHFDJCAQD-UHFFFAOYSA-N 2 1 293.455 2.044 20 0 CEADMP c1cc2cnccc2c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000647542429 395731059 /nfs/dbraw/zinc/73/10/59/395731059.db2.gz HKFVMUQWDBILTL-WBVHZDCISA-N 2 1 267.376 2.419 20 0 CEADMP CCOc1ccccc1CC[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000647548941 395732975 /nfs/dbraw/zinc/73/29/75/395732975.db2.gz BJWYDXPOEJNUEF-HIFRSBDPSA-N 2 1 262.397 2.215 20 0 CEADMP C[C@H]1CC2(C[N@@H+]1CC[NH2+]C(C)(C)C)CCOCC2 ZINC000647553244 395734123 /nfs/dbraw/zinc/73/41/23/395734123.db2.gz MCBKOUSQRZLQTM-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CC[NH2+]C(C)(C)C)CCOCC2 ZINC000647553244 395734124 /nfs/dbraw/zinc/73/41/24/395734124.db2.gz MCBKOUSQRZLQTM-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000647553262 395734131 /nfs/dbraw/zinc/73/41/31/395734131.db2.gz NNSMYVZYSKLZGD-KGLIPLIRSA-N 2 1 254.418 2.251 20 0 CEADMP C[N@H+](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000647784075 395753997 /nfs/dbraw/zinc/75/39/97/395753997.db2.gz HGCSCCNECVZNOX-BZUAXINKSA-N 3 1 279.472 2.229 20 0 CEADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000647784075 395753999 /nfs/dbraw/zinc/75/39/99/395753999.db2.gz HGCSCCNECVZNOX-BZUAXINKSA-N 3 1 279.472 2.229 20 0 CEADMP CC[C@H]1C[N@H+](CC(=O)N(C(C)C)C2CCCC2)CC[C@H]1[NH3+] ZINC000647936873 395779569 /nfs/dbraw/zinc/77/95/69/395779569.db2.gz MQDCPYIOPBFTJD-GOEBONIOSA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@H]1C[N@@H+](CC(=O)N(C(C)C)C2CCCC2)CC[C@H]1[NH3+] ZINC000647936873 395779570 /nfs/dbraw/zinc/77/95/70/395779570.db2.gz MQDCPYIOPBFTJD-GOEBONIOSA-N 2 1 295.471 2.225 20 0 CEADMP CC[N@H+](CCc1ccccc1)C[C@H](O)C[NH+](C)C(C)C ZINC000647958840 395786378 /nfs/dbraw/zinc/78/63/78/395786378.db2.gz GWRXZSPGKUEMPZ-QGZVFWFLSA-N 2 1 278.440 2.252 20 0 CEADMP CC[N@@H+](CCc1ccccc1)C[C@H](O)C[NH+](C)C(C)C ZINC000647958840 395786379 /nfs/dbraw/zinc/78/63/79/395786379.db2.gz GWRXZSPGKUEMPZ-QGZVFWFLSA-N 2 1 278.440 2.252 20 0 CEADMP CC[NH+](CCc1ccccc1)C[C@H](O)C[N@H+](C)C(C)C ZINC000647958840 395786382 /nfs/dbraw/zinc/78/63/82/395786382.db2.gz GWRXZSPGKUEMPZ-QGZVFWFLSA-N 2 1 278.440 2.252 20 0 CEADMP CC[NH+](CCc1ccccc1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000647958840 395786386 /nfs/dbraw/zinc/78/63/86/395786386.db2.gz GWRXZSPGKUEMPZ-QGZVFWFLSA-N 2 1 278.440 2.252 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC[C@H]2CCC[C@@H](C)C2)CCO1 ZINC000647865264 395765344 /nfs/dbraw/zinc/76/53/44/395765344.db2.gz DWUYLXGBSISBTL-LXTVHRRPSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC[C@H]2CCC[C@@H](C)C2)CCO1 ZINC000647865264 395765346 /nfs/dbraw/zinc/76/53/46/395765346.db2.gz DWUYLXGBSISBTL-LXTVHRRPSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H](C(F)(F)F)O1 ZINC000647889392 395769583 /nfs/dbraw/zinc/76/95/83/395769583.db2.gz MAAWQCVPABIUND-ZYHUDNBSSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H](C(F)(F)F)O1 ZINC000647889392 395769585 /nfs/dbraw/zinc/76/95/85/395769585.db2.gz MAAWQCVPABIUND-ZYHUDNBSSA-N 2 1 280.334 2.028 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000647970852 395792132 /nfs/dbraw/zinc/79/21/32/395792132.db2.gz IWWUWPRXCWKZPU-HLLBOEOZSA-N 2 1 278.440 2.469 20 0 CEADMP CC(C)COCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977381 395793353 /nfs/dbraw/zinc/79/33/53/395793353.db2.gz AKEJZBYXMGRPLO-JKSUJKDBSA-N 2 1 268.445 2.371 20 0 CEADMP Clc1ccccc1O[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647989876 395796860 /nfs/dbraw/zinc/79/68/60/395796860.db2.gz AHAALUZOXHQROM-OLZOCXBDSA-N 2 1 280.799 2.403 20 0 CEADMP Clc1ccccc1O[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647989876 395796861 /nfs/dbraw/zinc/79/68/61/395796861.db2.gz AHAALUZOXHQROM-OLZOCXBDSA-N 2 1 280.799 2.403 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000648842182 395998312 /nfs/dbraw/zinc/99/83/12/395998312.db2.gz JRVVVUCFGCSTNV-CZUORRHYSA-N 2 1 289.423 2.335 20 0 CEADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000649299021 396115960 /nfs/dbraw/zinc/11/59/60/396115960.db2.gz TWHGKOKNAPHRJY-XHSDSOJGSA-N 2 1 295.471 2.084 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649343978 396124955 /nfs/dbraw/zinc/12/49/55/396124955.db2.gz LHLZHHYAEXDHMH-AWEZNQCLSA-N 2 1 297.830 2.188 20 0 CEADMP C([C@H]1CC[NH2+]C1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000649411775 396146033 /nfs/dbraw/zinc/14/60/33/396146033.db2.gz AUJPGOMEKDVFAQ-KRWDZBQOSA-N 2 1 279.472 2.184 20 0 CEADMP C([C@H]1CC[NH2+]C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649411579 396146447 /nfs/dbraw/zinc/14/64/47/396146447.db2.gz IJFATXDMQXWTKB-KRWDZBQOSA-N 2 1 279.472 2.184 20 0 CEADMP CCn1cc(C[N@@H+](C)CCCC2CC[NH2+]CC2)cn1 ZINC000649413692 396147207 /nfs/dbraw/zinc/14/72/07/396147207.db2.gz ZVDBELJTQYTGOU-UHFFFAOYSA-N 2 1 264.417 2.115 20 0 CEADMP Cc1csc(C2([NH2+]C[C@H]3CC[NH2+]C3)CCCC2)n1 ZINC000649414699 396148098 /nfs/dbraw/zinc/14/80/98/396148098.db2.gz RDIYVDNQADBARJ-LBPRGKRZSA-N 2 1 265.426 2.420 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@@H]1CCC[NH+]1C ZINC000649528812 396178939 /nfs/dbraw/zinc/17/89/39/396178939.db2.gz ULIHDAGVFNCFOK-AEFFLSMTSA-N 2 1 287.451 2.287 20 0 CEADMP Cc1cncc(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000649537745 396181576 /nfs/dbraw/zinc/18/15/76/396181576.db2.gz ONUHIHIBZZDVDI-QGZVFWFLSA-N 2 1 288.439 2.278 20 0 CEADMP Cc1cncc(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000649537745 396181579 /nfs/dbraw/zinc/18/15/79/396181579.db2.gz ONUHIHIBZZDVDI-QGZVFWFLSA-N 2 1 288.439 2.278 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000649569351 396193354 /nfs/dbraw/zinc/19/33/54/396193354.db2.gz JEIFAMMDXZPFQQ-IAGOWNOFSA-N 2 1 273.424 2.069 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000649569351 396193355 /nfs/dbraw/zinc/19/33/55/396193355.db2.gz JEIFAMMDXZPFQQ-IAGOWNOFSA-N 2 1 273.424 2.069 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000649569351 396193356 /nfs/dbraw/zinc/19/33/56/396193356.db2.gz JEIFAMMDXZPFQQ-IAGOWNOFSA-N 2 1 273.424 2.069 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000649569351 396193357 /nfs/dbraw/zinc/19/33/57/396193357.db2.gz JEIFAMMDXZPFQQ-IAGOWNOFSA-N 2 1 273.424 2.069 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCOC1 ZINC000649755362 396250517 /nfs/dbraw/zinc/25/05/17/396250517.db2.gz MDJPSZQPJNNHOD-OAHLLOKOSA-N 2 1 254.418 2.363 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C(C)C)C1(CO)CC=CC1 ZINC000646084341 396287766 /nfs/dbraw/zinc/28/77/66/396287766.db2.gz IQVOYWMBSMEQCL-HNNXBMFYSA-N 2 1 277.412 2.134 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CO1 ZINC000647171538 396428758 /nfs/dbraw/zinc/42/87/58/396428758.db2.gz MZJFJZZWHLUAMN-XGUBFFRZSA-N 2 1 254.418 2.121 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647174984 396429646 /nfs/dbraw/zinc/42/96/46/396429646.db2.gz SWSQIEKYIFCWHZ-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647174984 396429648 /nfs/dbraw/zinc/42/96/48/396429648.db2.gz SWSQIEKYIFCWHZ-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP CC[C@H](C)C[C@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000647243329 396447620 /nfs/dbraw/zinc/44/76/20/396447620.db2.gz IMDHHXRMENIADX-GXTWGEPZSA-N 2 1 265.401 2.034 20 0 CEADMP COCC1(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CCC1 ZINC000339427831 400364505 /nfs/dbraw/zinc/36/45/05/400364505.db2.gz DKCSOOJQBVAMBX-HNNXBMFYSA-N 2 1 266.429 2.221 20 0 CEADMP COCC1(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)CCC1 ZINC000339427831 400364509 /nfs/dbraw/zinc/36/45/09/400364509.db2.gz DKCSOOJQBVAMBX-HNNXBMFYSA-N 2 1 266.429 2.221 20 0 CEADMP COCC1(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCC1 ZINC000339427831 400364512 /nfs/dbraw/zinc/36/45/12/400364512.db2.gz DKCSOOJQBVAMBX-HNNXBMFYSA-N 2 1 266.429 2.221 20 0 CEADMP Cc1csc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)n1 ZINC000650706661 400998468 /nfs/dbraw/zinc/99/84/68/400998468.db2.gz POKIPCJDHDUPNT-MELADBBJSA-N 2 1 295.452 2.170 20 0 CEADMP CC1(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000650707478 400998692 /nfs/dbraw/zinc/99/86/92/400998692.db2.gz GZRYYNRNCAVJBW-MJBXVCDLSA-N 2 1 252.402 2.005 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccnn1-c1ccccc1)C2 ZINC000650709655 401000418 /nfs/dbraw/zinc/00/04/18/401000418.db2.gz KMOZSVLLGFGWGN-YJBOKZPZSA-N 2 1 296.418 2.433 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccnn1-c1ccccc1)C2 ZINC000650709655 401000421 /nfs/dbraw/zinc/00/04/21/401000421.db2.gz KMOZSVLLGFGWGN-YJBOKZPZSA-N 2 1 296.418 2.433 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@H]2CCSC2)C1 ZINC000650723050 401010829 /nfs/dbraw/zinc/01/08/29/401010829.db2.gz GXNBMWPCNNKSIM-KBXIAJHMSA-N 2 1 284.469 2.100 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)nc1 ZINC000650722897 401011975 /nfs/dbraw/zinc/01/19/75/401011975.db2.gz DHFXVKUOLVXFNL-DJIMGWMZSA-N 2 1 289.423 2.251 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000650741077 401017126 /nfs/dbraw/zinc/01/71/26/401017126.db2.gz XJMQVUKLWZEAEV-UHFFFAOYSA-N 3 1 255.450 2.071 20 0 CEADMP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CN2 ZINC000650749962 401025935 /nfs/dbraw/zinc/02/59/35/401025935.db2.gz XXDZDJXGFCIKHG-PMPSAXMXSA-N 2 1 271.408 2.240 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000360034275 155198568 /nfs/dbraw/zinc/19/85/68/155198568.db2.gz BSBGQAKAHOULRS-QZWWFDLISA-N 2 1 296.455 2.035 20 0 CEADMP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000651651735 401367249 /nfs/dbraw/zinc/36/72/49/401367249.db2.gz IFANUNJKVCXMBQ-IYBDPMFKSA-N 2 1 296.418 2.140 20 0 CEADMP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000651651735 401367252 /nfs/dbraw/zinc/36/72/52/401367252.db2.gz IFANUNJKVCXMBQ-IYBDPMFKSA-N 2 1 296.418 2.140 20 0 CEADMP CC[C@]1(C)CCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000651706778 401374855 /nfs/dbraw/zinc/37/48/55/401374855.db2.gz MIWUUXIPTZZQRD-YQQAZPJKSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000651865682 401405740 /nfs/dbraw/zinc/40/57/40/401405740.db2.gz DJPVIUHPEONEJR-HZPDHXFCSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000651865682 401405741 /nfs/dbraw/zinc/40/57/41/401405741.db2.gz DJPVIUHPEONEJR-HZPDHXFCSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651865682 401405743 /nfs/dbraw/zinc/40/57/43/401405743.db2.gz DJPVIUHPEONEJR-HZPDHXFCSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000651865682 401405745 /nfs/dbraw/zinc/40/57/45/401405745.db2.gz DJPVIUHPEONEJR-HZPDHXFCSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000651865682 401405747 /nfs/dbraw/zinc/40/57/47/401405747.db2.gz DJPVIUHPEONEJR-HZPDHXFCSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000651865682 401405749 /nfs/dbraw/zinc/40/57/49/401405749.db2.gz DJPVIUHPEONEJR-HZPDHXFCSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651865682 401405751 /nfs/dbraw/zinc/40/57/51/401405751.db2.gz DJPVIUHPEONEJR-HZPDHXFCSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H]([NH2+][C@@H](CO)CCF)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000652017761 401434181 /nfs/dbraw/zinc/43/41/81/401434181.db2.gz BXJKBAYJVFPVJR-USXIJHARSA-N 2 1 294.414 2.207 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccnn1C ZINC000652222048 401466836 /nfs/dbraw/zinc/46/68/36/401466836.db2.gz DITHRUOUPWSVQR-CYBMUJFWSA-N 2 1 252.406 2.049 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccnn1C ZINC000652222048 401466839 /nfs/dbraw/zinc/46/68/39/401466839.db2.gz DITHRUOUPWSVQR-CYBMUJFWSA-N 2 1 252.406 2.049 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)[C@@H](C)C1 ZINC000361492459 286064848 /nfs/dbraw/zinc/06/48/48/286064848.db2.gz IFVSCDKOZHDNPF-JJXSEGSLSA-N 2 1 286.460 2.136 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000652522313 401536679 /nfs/dbraw/zinc/53/66/79/401536679.db2.gz CTCVDZHVXWDEBG-OWCLPIDISA-N 2 1 297.487 2.342 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000652522313 401536682 /nfs/dbraw/zinc/53/66/82/401536682.db2.gz CTCVDZHVXWDEBG-OWCLPIDISA-N 2 1 297.487 2.342 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000652522313 401536685 /nfs/dbraw/zinc/53/66/85/401536685.db2.gz CTCVDZHVXWDEBG-OWCLPIDISA-N 2 1 297.487 2.342 20 0 CEADMP CCCCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345893 401490554 /nfs/dbraw/zinc/49/05/54/401490554.db2.gz OMKHMFNOIMPHPF-SOUVJXGZSA-N 2 1 254.418 2.395 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)C(C)C ZINC000652351174 401491775 /nfs/dbraw/zinc/49/17/75/401491775.db2.gz JKQMHGBZUXZYNK-VYDXJSESSA-N 2 1 295.471 2.081 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC[C@H]2CCCCO2)C1 ZINC000652363561 401495471 /nfs/dbraw/zinc/49/54/71/401495471.db2.gz HZLFQSAETFHJDO-NCOADZHNSA-N 2 1 296.455 2.306 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000360141846 155225525 /nfs/dbraw/zinc/22/55/25/155225525.db2.gz URTVKZIBBAHDNX-CGTJXYLNSA-N 2 1 289.467 2.089 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000360141846 155225527 /nfs/dbraw/zinc/22/55/27/155225527.db2.gz URTVKZIBBAHDNX-CGTJXYLNSA-N 2 1 289.467 2.089 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](CO)CC(C)C ZINC000360481099 155310834 /nfs/dbraw/zinc/31/08/34/155310834.db2.gz CSENRJRZIKRGHA-HNNXBMFYSA-N 2 1 267.417 2.311 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](CO)CC(C)C ZINC000360481099 155310837 /nfs/dbraw/zinc/31/08/37/155310837.db2.gz CSENRJRZIKRGHA-HNNXBMFYSA-N 2 1 267.417 2.311 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360567058 155327113 /nfs/dbraw/zinc/32/71/13/155327113.db2.gz CJICZGJLGGTDCW-KRWDZBQOSA-N 2 1 290.407 2.150 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCC[NH2+]C2)C12CCC2 ZINC000346974441 286333603 /nfs/dbraw/zinc/33/36/03/286333603.db2.gz LMQOUKAPFKWLMA-SOUVJXGZSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188315623 153050243 /nfs/dbraw/zinc/05/02/43/153050243.db2.gz VTHHEJSTJYULFD-QGZVFWFLSA-N 2 1 276.424 2.211 20 0 CEADMP CC(C)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188315623 153050246 /nfs/dbraw/zinc/05/02/46/153050246.db2.gz VTHHEJSTJYULFD-QGZVFWFLSA-N 2 1 276.424 2.211 20 0 CEADMP CC(C)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188315623 153050248 /nfs/dbraw/zinc/05/02/48/153050248.db2.gz VTHHEJSTJYULFD-QGZVFWFLSA-N 2 1 276.424 2.211 20 0 CEADMP CC(C)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188315623 153050250 /nfs/dbraw/zinc/05/02/50/153050250.db2.gz VTHHEJSTJYULFD-QGZVFWFLSA-N 2 1 276.424 2.211 20 0 CEADMP COCC1=CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000360800466 155376223 /nfs/dbraw/zinc/37/62/23/155376223.db2.gz XRVUIXVZVORZBW-HNNXBMFYSA-N 2 1 252.402 2.139 20 0 CEADMP COCC1=CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000360800466 155376236 /nfs/dbraw/zinc/37/62/36/155376236.db2.gz XRVUIXVZVORZBW-HNNXBMFYSA-N 2 1 252.402 2.139 20 0 CEADMP COCC1=CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000360800466 155376237 /nfs/dbraw/zinc/37/62/37/155376237.db2.gz XRVUIXVZVORZBW-HNNXBMFYSA-N 2 1 252.402 2.139 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC3CCCC3)CC[C@@H]21 ZINC000188641280 153061005 /nfs/dbraw/zinc/06/10/05/153061005.db2.gz FFEYVOKPSSHPLQ-ZACQAIPSSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)CC3CCCC3)CC[C@@H]21 ZINC000188641280 153061013 /nfs/dbraw/zinc/06/10/13/153061013.db2.gz FFEYVOKPSSHPLQ-ZACQAIPSSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)CC3CCCC3)CC[C@@H]21 ZINC000188641280 153061017 /nfs/dbraw/zinc/06/10/17/153061017.db2.gz FFEYVOKPSSHPLQ-ZACQAIPSSA-N 2 1 280.456 2.344 20 0 CEADMP CC[C@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CCS1 ZINC000191518766 153176171 /nfs/dbraw/zinc/17/61/71/153176171.db2.gz HBLYAIYSBSUHBW-INIZCTEOSA-N 2 1 299.528 2.230 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC3(CC3)C2)CC1 ZINC000192802867 153220944 /nfs/dbraw/zinc/22/09/44/153220944.db2.gz FKQOPDBLXVNPRZ-UHFFFAOYSA-N 2 1 279.472 2.279 20 0 CEADMP Cc1ccc(CCC[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193631119 153238033 /nfs/dbraw/zinc/23/80/33/153238033.db2.gz SWWUCBWOMXDHAT-CALCHBBNSA-N 2 1 258.409 2.421 20 0 CEADMP Cc1ccc(CCC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193631119 153238035 /nfs/dbraw/zinc/23/80/35/153238035.db2.gz SWWUCBWOMXDHAT-CALCHBBNSA-N 2 1 258.409 2.421 20 0 CEADMP Cc1ccc(CCC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193631119 153238039 /nfs/dbraw/zinc/23/80/39/153238039.db2.gz SWWUCBWOMXDHAT-CALCHBBNSA-N 2 1 258.409 2.421 20 0 CEADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]CC2CC2)cc1 ZINC000414877998 286363157 /nfs/dbraw/zinc/36/31/57/286363157.db2.gz GSKLORZOBBNROV-JKSUJKDBSA-N 2 1 260.381 2.140 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000223819122 153315077 /nfs/dbraw/zinc/31/50/77/153315077.db2.gz KREONLYBSXUPKF-LBPRGKRZSA-N 2 1 250.390 2.181 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1F ZINC000346080446 154285890 /nfs/dbraw/zinc/28/58/90/154285890.db2.gz CZODGJCMYQAHND-TZMCWYRMSA-N 2 1 280.387 2.436 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@@H]([NH3+])C2)cc1F ZINC000346080446 154285894 /nfs/dbraw/zinc/28/58/94/154285894.db2.gz CZODGJCMYQAHND-TZMCWYRMSA-N 2 1 280.387 2.436 20 0 CEADMP CC(C)[N@H+](C)CCCNCc1ncc(C[NH+](C)C)s1 ZINC000352774891 154336290 /nfs/dbraw/zinc/33/62/90/154336290.db2.gz YJIVLZXFWHOTMV-UHFFFAOYSA-N 2 1 284.473 2.025 20 0 CEADMP CC(C)[N@@H+](C)CCCNCc1ncc(C[NH+](C)C)s1 ZINC000352774891 154336296 /nfs/dbraw/zinc/33/62/96/154336296.db2.gz YJIVLZXFWHOTMV-UHFFFAOYSA-N 2 1 284.473 2.025 20 0 CEADMP CCC(C)(C)CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000352778045 154339252 /nfs/dbraw/zinc/33/92/52/154339252.db2.gz IYZOQDWAYXBSQR-UHFFFAOYSA-N 2 1 269.477 2.382 20 0 CEADMP CCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000354875788 154359846 /nfs/dbraw/zinc/35/98/46/154359846.db2.gz AYRJAJLRYXCHEO-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367613527 292307894 /nfs/dbraw/zinc/30/78/94/292307894.db2.gz FVGWGFVTZCYLAG-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367613529 292307908 /nfs/dbraw/zinc/30/79/08/292307908.db2.gz FVGWGFVTZCYLAG-RRFJBIMHSA-N 2 1 266.429 2.266 20 0 CEADMP CNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000363585051 156033740 /nfs/dbraw/zinc/03/37/40/156033740.db2.gz GFOAKUBDSSFILV-YPMHNXCESA-N 2 1 280.803 2.077 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cccnc2)[C@@H]2CCC[C@@H]21 ZINC000367598245 156214857 /nfs/dbraw/zinc/21/48/57/156214857.db2.gz DFSQIMUPFHFTRO-JYJNAYRXSA-N 2 1 259.397 2.087 20 0 CEADMP CC[C@H](C)[N@H+](C)CCNc1cccc(-n2cc[nH+]c2C)n1 ZINC000368108640 156290426 /nfs/dbraw/zinc/29/04/26/156290426.db2.gz KTMCKDPEADXYQT-ZDUSSCGKSA-N 2 1 287.411 2.140 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNc1cccc(-n2cc[nH+]c2C)n1 ZINC000368108640 156290429 /nfs/dbraw/zinc/29/04/29/156290429.db2.gz KTMCKDPEADXYQT-ZDUSSCGKSA-N 2 1 287.411 2.140 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1 ZINC000368174197 156300243 /nfs/dbraw/zinc/30/02/43/156300243.db2.gz DOVMVDPGXHKJQF-YPMHNXCESA-N 2 1 298.394 2.008 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)n1 ZINC000368174197 156300244 /nfs/dbraw/zinc/30/02/44/156300244.db2.gz DOVMVDPGXHKJQF-YPMHNXCESA-N 2 1 298.394 2.008 20 0 CEADMP COC[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374834398 157018868 /nfs/dbraw/zinc/01/88/68/157018868.db2.gz AARWYKHKCBYKSC-AWEZNQCLSA-N 2 1 277.412 2.265 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C1(C2CC2)CCOCC1 ZINC000375702383 157128635 /nfs/dbraw/zinc/12/86/35/157128635.db2.gz SLURWBBFDDXJHK-UHFFFAOYSA-N 2 1 263.385 2.130 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2F)[C@@H]2CCC[C@H]21 ZINC000375854829 157153323 /nfs/dbraw/zinc/15/33/23/157153323.db2.gz WQKNBYFQPIIKLG-LLLHUVSDSA-N 2 1 292.398 2.322 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)CC2CCCC2)CC1 ZINC000376097577 157186535 /nfs/dbraw/zinc/18/65/35/157186535.db2.gz SRPGLOFDSFOCNZ-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCCCCO ZINC000376549366 157243570 /nfs/dbraw/zinc/24/35/70/157243570.db2.gz XGZFYIANAPNKCM-BRWVUGGUSA-N 2 1 298.471 2.018 20 0 CEADMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1[C@H]3CCO[C@H]3C13CCCC3)C2 ZINC000376650826 157250118 /nfs/dbraw/zinc/25/01/18/157250118.db2.gz HRUMDIBOPURFKD-LQKXBSAESA-N 2 1 287.407 2.135 20 0 CEADMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1[C@H]3CCO[C@H]3C13CCCC3)C2 ZINC000376650827 157253057 /nfs/dbraw/zinc/25/30/57/157253057.db2.gz HRUMDIBOPURFKD-LUYZLQTOSA-N 2 1 287.407 2.135 20 0 CEADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCOCC1 ZINC000537309162 298208335 /nfs/dbraw/zinc/20/83/35/298208335.db2.gz YIVXITFKYBXBFP-OAHLLOKOSA-N 2 1 252.402 2.043 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000131816770 162298953 /nfs/dbraw/zinc/29/89/53/162298953.db2.gz XFXHXXUDMGKXJG-ZIAGYGMSSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000131816770 162298956 /nfs/dbraw/zinc/29/89/56/162298956.db2.gz XFXHXXUDMGKXJG-ZIAGYGMSSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000131816770 162298960 /nfs/dbraw/zinc/29/89/60/162298960.db2.gz XFXHXXUDMGKXJG-ZIAGYGMSSA-N 2 1 282.428 2.134 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000164862667 162338178 /nfs/dbraw/zinc/33/81/78/162338178.db2.gz JUHTXSHUWDXENN-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000164862667 162338182 /nfs/dbraw/zinc/33/81/82/162338182.db2.gz JUHTXSHUWDXENN-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CCn1cc([C@H](C)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cn1 ZINC000166290691 162347027 /nfs/dbraw/zinc/34/70/27/162347027.db2.gz HQCRYBBBJOXMNO-SGMGOOAPSA-N 2 1 262.401 2.179 20 0 CEADMP C[C@@H](O)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000346849206 287084456 /nfs/dbraw/zinc/08/44/56/287084456.db2.gz RTXSTYUBGXCZDY-ZIAGYGMSSA-N 2 1 254.418 2.002 20 0 CEADMP CCC(C)(C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173616559 165079652 /nfs/dbraw/zinc/07/96/52/165079652.db2.gz OKRZKIIOBVRHFY-CYBMUJFWSA-N 2 1 283.460 2.142 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000178836107 165259396 /nfs/dbraw/zinc/25/93/96/165259396.db2.gz NBEOZCHQEZUHDY-HOCLYGCPSA-N 2 1 291.439 2.171 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178978821 165267153 /nfs/dbraw/zinc/26/71/53/165267153.db2.gz FILLFRXIXGUHGQ-UHFFFAOYSA-N 3 1 281.488 2.430 20 0 CEADMP Cc1nccn1C[C@H]1CCC[N@H+]1CCC[NH+]1CCCC1 ZINC000179271658 165275991 /nfs/dbraw/zinc/27/59/91/165275991.db2.gz KTJHGATUQKGGIO-MRXNPFEDSA-N 2 1 276.428 2.142 20 0 CEADMP C[NH+](C)CCCN[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000037325844 173126645 /nfs/dbraw/zinc/12/66/45/173126645.db2.gz ZEMPEPWQESIDTI-QGZVFWFLSA-N 2 1 275.440 2.192 20 0 CEADMP C[NH+](C)CCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000037325844 173126646 /nfs/dbraw/zinc/12/66/46/173126646.db2.gz ZEMPEPWQESIDTI-QGZVFWFLSA-N 2 1 275.440 2.192 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)ccc2OC)C1 ZINC000040600580 174350722 /nfs/dbraw/zinc/35/07/22/174350722.db2.gz JFILJIMXMPIBDE-AWEZNQCLSA-N 2 1 262.397 2.435 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2OC)C1 ZINC000040600580 174350723 /nfs/dbraw/zinc/35/07/23/174350723.db2.gz JFILJIMXMPIBDE-AWEZNQCLSA-N 2 1 262.397 2.435 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH+](C)C ZINC000401019149 414750156 /nfs/dbraw/zinc/75/01/56/414750156.db2.gz JYYVYQGRBULNNI-TWMKSMIVSA-N 3 1 281.488 2.331 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000662844852 414771467 /nfs/dbraw/zinc/77/14/67/414771467.db2.gz BNGWVLBLXLQOLO-ZIAGYGMSSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)[C@H]1CC[NH3+] ZINC000404401987 414782853 /nfs/dbraw/zinc/78/28/53/414782853.db2.gz RUQQZARUBJCRNU-HOCLYGCPSA-N 2 1 289.423 2.465 20 0 CEADMP Clc1cccc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000051889903 414747992 /nfs/dbraw/zinc/74/79/92/414747992.db2.gz PUPGXQDHYHIMER-ZDUSSCGKSA-N 2 1 279.815 2.072 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@@H]1[NH3+] ZINC000122727526 414791599 /nfs/dbraw/zinc/79/15/99/414791599.db2.gz YUXWNQVNDAZJLA-RDJZCZTQSA-N 2 1 284.407 2.432 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)C[C@H]1C[NH3+] ZINC000405414239 414792906 /nfs/dbraw/zinc/79/29/06/414792906.db2.gz BFMVFOXPDAYFMT-RHSMWYFYSA-N 2 1 285.391 2.030 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000657175076 414796426 /nfs/dbraw/zinc/79/64/26/414796426.db2.gz XSOTWNINSHGAGD-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128082778 414807683 /nfs/dbraw/zinc/80/76/83/414807683.db2.gz SCMFAVILFIBSEB-KBUPBQIOSA-N 2 1 252.402 2.160 20 0 CEADMP CO[C@@H](C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C1CCCCC1 ZINC000660439463 414820081 /nfs/dbraw/zinc/82/00/81/414820081.db2.gz ZYELEKWRWIDGML-XHSDSOJGSA-N 2 1 266.429 2.075 20 0 CEADMP CO[C@@H](C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)C1CCCCC1 ZINC000660439463 414820086 /nfs/dbraw/zinc/82/00/86/414820086.db2.gz ZYELEKWRWIDGML-XHSDSOJGSA-N 2 1 266.429 2.075 20 0 CEADMP CO[C@@H](C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)C1CCCCC1 ZINC000660439463 414820090 /nfs/dbraw/zinc/82/00/90/414820090.db2.gz ZYELEKWRWIDGML-XHSDSOJGSA-N 2 1 266.429 2.075 20 0 CEADMP Cc1c[nH]c(CNCCn2c(C)nc3ccccc32)n1 ZINC000657296982 414838797 /nfs/dbraw/zinc/83/87/97/414838797.db2.gz YUXQAFKDNPFPIK-UHFFFAOYSA-N 2 1 269.352 2.166 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnn2c1CCC2)C[NH+]1CCCCC1 ZINC000657317226 414855017 /nfs/dbraw/zinc/85/50/17/414855017.db2.gz VRVPNWYCEBFQAC-AWEZNQCLSA-N 2 1 276.428 2.041 20 0 CEADMP CC(C)[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)[C@H](O)C(F)(F)F ZINC000660527118 414858654 /nfs/dbraw/zinc/85/86/54/414858654.db2.gz BZHYKDFPZWCNKC-AGIUHOORSA-N 2 1 296.377 2.398 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653110665 414909175 /nfs/dbraw/zinc/90/91/75/414909175.db2.gz QHGBRLDRQWCJHW-CVEARBPZSA-N 2 1 295.471 2.004 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cncc(F)c1)C2 ZINC000660662643 414922512 /nfs/dbraw/zinc/92/25/12/414922512.db2.gz KHWUKMLQMMIRLB-OAHLLOKOSA-N 2 1 263.360 2.138 20 0 CEADMP CCn1nccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347089 414923502 /nfs/dbraw/zinc/92/35/02/414923502.db2.gz ZFIPONCKQXTCRN-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP CCn1nccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347089 414923504 /nfs/dbraw/zinc/92/35/04/414923504.db2.gz ZFIPONCKQXTCRN-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000663371244 414931289 /nfs/dbraw/zinc/93/12/89/414931289.db2.gz ZRPYODFGJMGQQH-CZUORRHYSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCCC1 ZINC000663371244 414931291 /nfs/dbraw/zinc/93/12/91/414931291.db2.gz ZRPYODFGJMGQQH-CZUORRHYSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccnn1CC1CC1 ZINC000657346503 414874232 /nfs/dbraw/zinc/87/42/32/414874232.db2.gz DVPGCYXGFCSGGN-CYBMUJFWSA-N 2 1 287.411 2.224 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2C)CO1 ZINC000657374818 414895677 /nfs/dbraw/zinc/89/56/77/414895677.db2.gz QYGKQBPOIRPWAM-UONOGXRCSA-N 2 1 251.374 2.129 20 0 CEADMP CC[N@H+]1CCCN(CC[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000660790109 414975138 /nfs/dbraw/zinc/97/51/38/414975138.db2.gz VDWZTABQMFLEHJ-IXDOHACOSA-N 2 1 281.488 2.380 20 0 CEADMP CC[NH+]1CCCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000660790109 414975144 /nfs/dbraw/zinc/97/51/44/414975144.db2.gz VDWZTABQMFLEHJ-IXDOHACOSA-N 2 1 281.488 2.380 20 0 CEADMP CC[NH+]1CCCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000660790109 414975146 /nfs/dbraw/zinc/97/51/46/414975146.db2.gz VDWZTABQMFLEHJ-IXDOHACOSA-N 2 1 281.488 2.380 20 0 CEADMP C[NH+]1CCC([NH2+]CCc2noc3ccccc32)CC1 ZINC000657534419 414991307 /nfs/dbraw/zinc/99/13/07/414991307.db2.gz RSBBMCYFAAJLHJ-UHFFFAOYSA-N 2 1 259.353 2.054 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000660829271 414993173 /nfs/dbraw/zinc/99/31/73/414993173.db2.gz CHFJSBUBPGTTFE-STQMWFEESA-N 2 1 296.377 2.352 20 0 CEADMP CC[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657563403 415001822 /nfs/dbraw/zinc/00/18/22/415001822.db2.gz SWKVLBFLDAJTRW-OAGGEKHMSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1nccc([C@@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000653499563 415015851 /nfs/dbraw/zinc/01/58/51/415015851.db2.gz SFTHAJUVVWEJAS-OAHLLOKOSA-N 2 1 299.422 2.331 20 0 CEADMP Cc1nccc([C@@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000653499563 415015858 /nfs/dbraw/zinc/01/58/58/415015858.db2.gz SFTHAJUVVWEJAS-OAHLLOKOSA-N 2 1 299.422 2.331 20 0 CEADMP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000654485408 414949968 /nfs/dbraw/zinc/94/99/68/414949968.db2.gz NDKFXJIAGTYMCI-ZDUSSCGKSA-N 2 1 275.396 2.029 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000660755359 414959887 /nfs/dbraw/zinc/95/98/87/414959887.db2.gz KBUCWJQAUCTBDE-ZHCJQAHYSA-N 2 1 280.456 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000660755359 414959891 /nfs/dbraw/zinc/95/98/91/414959891.db2.gz KBUCWJQAUCTBDE-ZHCJQAHYSA-N 2 1 280.456 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000660755359 414959893 /nfs/dbraw/zinc/95/98/93/414959893.db2.gz KBUCWJQAUCTBDE-ZHCJQAHYSA-N 2 1 280.456 2.056 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@H+]1CCCC1(C)C ZINC000654534402 414962775 /nfs/dbraw/zinc/96/27/75/414962775.db2.gz XJFZMHSQXMZZMT-CYBMUJFWSA-N 2 1 283.460 2.144 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCCF ZINC000663465644 414963205 /nfs/dbraw/zinc/96/32/05/414963205.db2.gz ZDSUQGVUKIAULR-RDJZCZTQSA-N 2 1 294.414 2.473 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCCF ZINC000663465644 414963211 /nfs/dbraw/zinc/96/32/11/414963211.db2.gz ZDSUQGVUKIAULR-RDJZCZTQSA-N 2 1 294.414 2.473 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)CC[N@H+]1C ZINC000663471290 414965236 /nfs/dbraw/zinc/96/52/36/414965236.db2.gz XKBUVLMZMNXFMH-HYVNUMGLSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC[NH+]1C ZINC000663471290 414965246 /nfs/dbraw/zinc/96/52/46/414965246.db2.gz XKBUVLMZMNXFMH-HYVNUMGLSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)CC[N@@H+]1C ZINC000663471290 414965249 /nfs/dbraw/zinc/96/52/49/414965249.db2.gz XKBUVLMZMNXFMH-HYVNUMGLSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)CC[N@H+]1C ZINC000663471290 414965252 /nfs/dbraw/zinc/96/52/52/414965252.db2.gz XKBUVLMZMNXFMH-HYVNUMGLSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC[NH+]1C ZINC000663471290 414965256 /nfs/dbraw/zinc/96/52/56/414965256.db2.gz XKBUVLMZMNXFMH-HYVNUMGLSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC[NH+]1C ZINC000663471290 414965259 /nfs/dbraw/zinc/96/52/59/414965259.db2.gz XKBUVLMZMNXFMH-HYVNUMGLSA-N 3 1 279.472 2.181 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000653608589 415051061 /nfs/dbraw/zinc/05/10/61/415051061.db2.gz XPCVSUSBHYYMCO-XUWVNRHRSA-N 2 1 270.461 2.349 20 0 CEADMP COC[C@@H](CC1CCOCC1)[NH2+]CCC[N@@H+](C)C(C)C ZINC000657830623 415097224 /nfs/dbraw/zinc/09/72/24/415097224.db2.gz LSPMHPIDXMJCSG-MRXNPFEDSA-N 2 1 286.460 2.138 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000657810321 415090580 /nfs/dbraw/zinc/09/05/80/415090580.db2.gz AQOMZRISXVPILC-CCGTUFIJSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000657810321 415090585 /nfs/dbraw/zinc/09/05/85/415090585.db2.gz AQOMZRISXVPILC-CCGTUFIJSA-N 2 1 288.435 2.400 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCn2nccc21 ZINC000657817474 415092129 /nfs/dbraw/zinc/09/21/29/415092129.db2.gz SKPAFUSLLXIZMT-ZDUSSCGKSA-N 2 1 250.390 2.040 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1C1CCC1 ZINC000660907927 415031525 /nfs/dbraw/zinc/03/15/25/415031525.db2.gz WIHRUBAJNTZFRZ-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000660907927 415031529 /nfs/dbraw/zinc/03/15/29/415031529.db2.gz WIHRUBAJNTZFRZ-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000660907927 415031534 /nfs/dbraw/zinc/03/15/34/415031534.db2.gz WIHRUBAJNTZFRZ-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(C)CC1(F)F ZINC000657664138 415039808 /nfs/dbraw/zinc/03/98/08/415039808.db2.gz IETKMAUADWMOTQ-GFCCVEGCSA-N 2 1 255.312 2.283 20 0 CEADMP C1C[C@H]2C[C@@H]([NH2+][C@@H]3CCCSCC3)CC[N@H+]2C1 ZINC000657839512 415100894 /nfs/dbraw/zinc/10/08/94/415100894.db2.gz ARKJQUVHJCKKFH-RDBSUJKOSA-N 2 1 254.443 2.489 20 0 CEADMP FCC1(CF)CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000657837106 415101044 /nfs/dbraw/zinc/10/10/44/415101044.db2.gz DLMSIMNKTGJFNO-OLZOCXBDSA-N 2 1 258.356 2.291 20 0 CEADMP FCC1(CF)CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000657837106 415101048 /nfs/dbraw/zinc/10/10/48/415101048.db2.gz DLMSIMNKTGJFNO-OLZOCXBDSA-N 2 1 258.356 2.291 20 0 CEADMP CC(C)[C@@H]([NH2+]CCCc1c[nH+]cn1C)C1(CO)CC=CC1 ZINC000653777124 415103526 /nfs/dbraw/zinc/10/35/26/415103526.db2.gz JNUCERPPGVQYCB-MRXNPFEDSA-N 2 1 291.439 2.296 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000653779755 415103652 /nfs/dbraw/zinc/10/36/52/415103652.db2.gz ASGVLYKVSARRLY-BBRMVZONSA-N 2 1 294.414 2.100 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000653779755 415103657 /nfs/dbraw/zinc/10/36/57/415103657.db2.gz ASGVLYKVSARRLY-BBRMVZONSA-N 2 1 294.414 2.100 20 0 CEADMP CC(C)O[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000653778171 415103963 /nfs/dbraw/zinc/10/39/63/415103963.db2.gz IKEHRTODQJJNPW-HNNXBMFYSA-N 2 1 265.401 2.242 20 0 CEADMP CC(C)O[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000653778171 415103967 /nfs/dbraw/zinc/10/39/67/415103967.db2.gz IKEHRTODQJJNPW-HNNXBMFYSA-N 2 1 265.401 2.242 20 0 CEADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000657858197 415107340 /nfs/dbraw/zinc/10/73/40/415107340.db2.gz YRUWMUQOMSKPLG-HNNXBMFYSA-N 2 1 274.412 2.325 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COC(C)(C)C2)[C@H]2CCC[C@H]21 ZINC000658056987 415179199 /nfs/dbraw/zinc/17/91/99/415179199.db2.gz DRXHFUFCWCUXOF-RFQIPJPRSA-N 2 1 252.402 2.016 20 0 CEADMP OCCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000043445351 175047930 /nfs/dbraw/zinc/04/79/30/175047930.db2.gz QIRHSEQMDNYOAR-UHFFFAOYSA-N 2 1 262.397 2.013 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000658095708 415204291 /nfs/dbraw/zinc/20/42/91/415204291.db2.gz KKQJLPWOWACMLC-LVQVYYBASA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000658095708 415204293 /nfs/dbraw/zinc/20/42/93/415204293.db2.gz KKQJLPWOWACMLC-LVQVYYBASA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000658095708 415204295 /nfs/dbraw/zinc/20/42/95/415204295.db2.gz KKQJLPWOWACMLC-LVQVYYBASA-N 2 1 279.472 2.322 20 0 CEADMP CC[C@@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658227280 415263396 /nfs/dbraw/zinc/26/33/96/415263396.db2.gz AAXNCACJCZTDMO-LSDHHAIUSA-N 2 1 291.443 2.053 20 0 CEADMP CC[C@@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658227280 415263400 /nfs/dbraw/zinc/26/34/00/415263400.db2.gz AAXNCACJCZTDMO-LSDHHAIUSA-N 2 1 291.443 2.053 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CC[N@H+]1C ZINC000658353078 415332626 /nfs/dbraw/zinc/33/26/26/415332626.db2.gz BPOOYCLNOUBVFT-WMLDXEAASA-N 3 1 279.472 2.181 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCN1C ZINC000658353078 415332632 /nfs/dbraw/zinc/33/26/32/415332632.db2.gz BPOOYCLNOUBVFT-WMLDXEAASA-N 2 1 279.472 2.181 20 0 CEADMP CC(C)COCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655698317 415394443 /nfs/dbraw/zinc/39/44/43/415394443.db2.gz UKAXUTFVZKSNIZ-KRWDZBQOSA-N 2 1 298.471 2.282 20 0 CEADMP CCC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655729834 415417494 /nfs/dbraw/zinc/41/74/94/415417494.db2.gz FQKCEWVYGRSYOS-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCCO1 ZINC000655736650 415422774 /nfs/dbraw/zinc/42/27/74/415422774.db2.gz GRPGOSICHULXCN-IKGGRYGDSA-N 2 1 296.455 2.177 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655741102 415424850 /nfs/dbraw/zinc/42/48/50/415424850.db2.gz FEGPLRYASJGUPY-UHFFFAOYSA-N 2 1 287.411 2.294 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CS1 ZINC000655687981 415387579 /nfs/dbraw/zinc/38/75/79/415387579.db2.gz FBDYFYDRJYLVGF-JHJVBQTASA-N 2 1 254.443 2.344 20 0 CEADMP CC(C)OCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655689949 415390469 /nfs/dbraw/zinc/39/04/69/415390469.db2.gz HTTMYGPZWWJBFT-MRXNPFEDSA-N 2 1 284.444 2.035 20 0 CEADMP Cc1cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc[nH+]1 ZINC000664677594 415448365 /nfs/dbraw/zinc/44/83/65/415448365.db2.gz BVVLLZWIOFSIPK-HNNXBMFYSA-N 2 1 259.397 2.346 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)CC(F)(F)F ZINC000655775771 415455557 /nfs/dbraw/zinc/45/55/57/415455557.db2.gz DMIHWRVKVAVHMZ-AAEUAGOBSA-N 2 1 294.361 2.418 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CCC1CC[NH2+]CC1 ZINC000664718316 415459164 /nfs/dbraw/zinc/45/91/64/415459164.db2.gz CDYVTZHCGKOPQH-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000655780628 415460669 /nfs/dbraw/zinc/46/06/69/415460669.db2.gz ZZEVJPCGNXCOJU-AWEZNQCLSA-N 2 1 276.428 2.041 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661874522 415515936 /nfs/dbraw/zinc/51/59/36/415515936.db2.gz JVZFZFXZJWFDNR-CVEARBPZSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661874522 415515944 /nfs/dbraw/zinc/51/59/44/415515944.db2.gz JVZFZFXZJWFDNR-CVEARBPZSA-N 2 1 277.412 2.473 20 0 CEADMP C1C[C@H]2C[C@H](N[C@H]3CCC[NH+]4CCCC[C@@H]34)CC[N@H+]2C1 ZINC000655849038 415517444 /nfs/dbraw/zinc/51/74/44/415517444.db2.gz PDAHXXMDCXEHKB-QZWWFDLISA-N 2 1 277.456 2.220 20 0 CEADMP C1C[C@H]2C[C@H](N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC[NH+]2C1 ZINC000655849038 415517450 /nfs/dbraw/zinc/51/74/50/415517450.db2.gz PDAHXXMDCXEHKB-QZWWFDLISA-N 2 1 277.456 2.220 20 0 CEADMP C1C[C@H]2C[C@H](N[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC[NH+]2C1 ZINC000655849038 415517454 /nfs/dbraw/zinc/51/74/54/415517454.db2.gz PDAHXXMDCXEHKB-QZWWFDLISA-N 2 1 277.456 2.220 20 0 CEADMP C1C[C@H]2C[C@H]([NH2+][C@H]3CCCN4CCCC[C@@H]34)CC[N@@H+]2C1 ZINC000655849038 415517459 /nfs/dbraw/zinc/51/74/59/415517459.db2.gz PDAHXXMDCXEHKB-QZWWFDLISA-N 3 1 277.456 2.220 20 0 CEADMP C1C[C@H]2C[C@H]([NH2+][C@H]3CCCN4CCCC[C@@H]34)CC[N@H+]2C1 ZINC000655849038 415517462 /nfs/dbraw/zinc/51/74/62/415517462.db2.gz PDAHXXMDCXEHKB-QZWWFDLISA-N 3 1 277.456 2.220 20 0 CEADMP C1CC1[NH+]1CCC(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655850414 415520689 /nfs/dbraw/zinc/52/06/89/415520689.db2.gz IOEFKXOEMPOALK-IAGOWNOFSA-N 2 1 277.456 2.220 20 0 CEADMP [NH3+]C1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000655936644 415556334 /nfs/dbraw/zinc/55/63/34/415556334.db2.gz JOBZAMNDCPBSMA-UHFFFAOYSA-N 2 1 254.324 2.321 20 0 CEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1noc2ccccc12 ZINC000655937583 415557393 /nfs/dbraw/zinc/55/73/93/415557393.db2.gz BAKDGHUIOYENMC-OAHLLOKOSA-N 2 1 261.369 2.333 20 0 CEADMP CC(C)CCO[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000665027995 415557854 /nfs/dbraw/zinc/55/78/54/415557854.db2.gz ZNGQPCMBEZVGIZ-MRXNPFEDSA-N 2 1 279.428 2.490 20 0 CEADMP CC(C)CCO[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000665027995 415557859 /nfs/dbraw/zinc/55/78/59/415557859.db2.gz ZNGQPCMBEZVGIZ-MRXNPFEDSA-N 2 1 279.428 2.490 20 0 CEADMP C(C[N@H+]1CCC[C@@H](OC2CCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000655948055 415559146 /nfs/dbraw/zinc/55/91/46/415559146.db2.gz WXGVLSOGGCPOIA-GOEBONIOSA-N 2 1 266.429 2.410 20 0 CEADMP C(C[N@H+]1CCC[C@H](OC2CCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000655948056 415559477 /nfs/dbraw/zinc/55/94/77/415559477.db2.gz WXGVLSOGGCPOIA-HOCLYGCPSA-N 2 1 266.429 2.410 20 0 CEADMP COc1cccc(OC)c1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000665237914 415637187 /nfs/dbraw/zinc/63/71/87/415637187.db2.gz MBDPWZNCRZBDDD-JSGCOSHPSA-N 2 1 278.396 2.182 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C2CCC2)C1 ZINC000662044655 415596666 /nfs/dbraw/zinc/59/66/66/415596666.db2.gz RUSMMRQNJIPIJQ-HOTGVXAUSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662044655 415596672 /nfs/dbraw/zinc/59/66/72/415596672.db2.gz RUSMMRQNJIPIJQ-HOTGVXAUSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662044655 415596678 /nfs/dbraw/zinc/59/66/78/415596678.db2.gz RUSMMRQNJIPIJQ-HOTGVXAUSA-N 2 1 268.445 2.200 20 0 CEADMP CC[C@@H]([NH2+][C@H]1COc2cc(F)ccc2C1)[C@@H]1CCC[NH2+]1 ZINC000665266650 415657928 /nfs/dbraw/zinc/65/79/28/415657928.db2.gz GUZBNKMQFFLJAT-KFWWJZLASA-N 2 1 278.371 2.249 20 0 CEADMP CC[C@@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)[C@@H]1CCC[NH2+]1 ZINC000665266652 415659283 /nfs/dbraw/zinc/65/92/83/415659283.db2.gz GUZBNKMQFFLJAT-ZNMIVQPWSA-N 2 1 278.371 2.249 20 0 CEADMP Cc1cncc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000665273875 415665108 /nfs/dbraw/zinc/66/51/08/415665108.db2.gz GAVCGWOMZXVGFN-AEFFLSMTSA-N 2 1 296.418 2.410 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c2ccccc21 ZINC000665291105 415679548 /nfs/dbraw/zinc/67/95/48/415679548.db2.gz USGLLKRETUMYJU-XHDPSFHLSA-N 2 1 298.390 2.369 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000071297820 176112502 /nfs/dbraw/zinc/11/25/02/176112502.db2.gz GEKKUZTVQBUOFQ-AWEZNQCLSA-N 2 1 270.417 2.171 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H]2CCCC[C@@H]12 ZINC000662253880 415717924 /nfs/dbraw/zinc/71/79/24/415717924.db2.gz XXKXSZLVTICDRT-FXUDXRNXSA-N 2 1 278.440 2.408 20 0 CEADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000662256224 415723141 /nfs/dbraw/zinc/72/31/41/415723141.db2.gz HKBRTRHDQSADIM-CQSZACIVSA-N 2 1 296.480 2.259 20 0 CEADMP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257990 415723623 /nfs/dbraw/zinc/72/36/23/415723623.db2.gz VWSAKZSEEGEJMY-IUODEOHRSA-N 2 1 290.382 2.266 20 0 CEADMP CC[C@@H]([NH3+])c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468300 415726601 /nfs/dbraw/zinc/72/66/01/415726601.db2.gz JMCDTRGJTTZUMX-HZPDHXFCSA-N 2 1 299.422 2.210 20 0 CEADMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250091 415710499 /nfs/dbraw/zinc/71/04/99/415710499.db2.gz XULLYGJEBXHRSC-INIZCTEOSA-N 2 1 274.408 2.418 20 0 CEADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249722 415712909 /nfs/dbraw/zinc/71/29/09/415712909.db2.gz YREJWCKLQRDEPP-IUODEOHRSA-N 2 1 278.371 2.340 20 0 CEADMP c1ccc([C@H]2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662283349 415749703 /nfs/dbraw/zinc/74/97/03/415749703.db2.gz IIGUSDOBLPTOBB-IRXDYDNUSA-N 2 1 286.419 2.387 20 0 CEADMP COc1cccc(SCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000662274381 415740754 /nfs/dbraw/zinc/74/07/54/415740754.db2.gz SSDUVOUTEFOYGN-BBRMVZONSA-N 2 1 292.448 2.471 20 0 CEADMP COc1cccc(SCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000662274381 415740759 /nfs/dbraw/zinc/74/07/59/415740759.db2.gz SSDUVOUTEFOYGN-BBRMVZONSA-N 2 1 292.448 2.471 20 0 CEADMP CO[C@H](C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000662275159 415743705 /nfs/dbraw/zinc/74/37/05/415743705.db2.gz TUUNZWLMBJKTJL-HRCADAONSA-N 2 1 266.429 2.408 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000662275159 415743710 /nfs/dbraw/zinc/74/37/10/415743710.db2.gz TUUNZWLMBJKTJL-HRCADAONSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)nc(C)n1 ZINC000659882738 415760193 /nfs/dbraw/zinc/76/01/93/415760193.db2.gz MSROMWSZVADTPE-OAHLLOKOSA-N 2 1 271.368 2.127 20 0 CEADMP Cc1cc(CN2CCC[C@@H](n3ccnc3)C2)nc(C)n1 ZINC000659882738 415760199 /nfs/dbraw/zinc/76/01/99/415760199.db2.gz MSROMWSZVADTPE-OAHLLOKOSA-N 2 1 271.368 2.127 20 0 CEADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000662307070 415767891 /nfs/dbraw/zinc/76/78/91/415767891.db2.gz UISRJXGZEJRNCU-HZPDHXFCSA-N 2 1 278.440 2.410 20 0 CEADMP CCCc1noc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662312394 415772217 /nfs/dbraw/zinc/77/22/17/415772217.db2.gz BTNXRINCLTVFKA-CHWSQXEVSA-N 2 1 280.416 2.362 20 0 CEADMP CCCCC[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000662321231 415777143 /nfs/dbraw/zinc/77/71/43/415777143.db2.gz ZOHHKAIVOKYYPF-MRXNPFEDSA-N 2 1 295.471 2.243 20 0 CEADMP CCc1cnc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000662294224 415759620 /nfs/dbraw/zinc/75/96/20/415759620.db2.gz PXASKYXRFJABDV-CQSZACIVSA-N 2 1 277.412 2.449 20 0 CEADMP COc1ccccc1CCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000662294715 415759813 /nfs/dbraw/zinc/75/98/13/415759813.db2.gz LTUMEIDDAFOVDQ-UHFFFAOYSA-N 2 1 250.386 2.297 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](OC)C2CCCC2)C1 ZINC000659990249 415832472 /nfs/dbraw/zinc/83/24/72/415832472.db2.gz ZGAGUKKRWUYPAS-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](OC)C2CCCC2)C1 ZINC000659990249 415832475 /nfs/dbraw/zinc/83/24/75/415832475.db2.gz ZGAGUKKRWUYPAS-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP C[N@H+](Cc1cnc2ccccc2n1)CC1CC[NH+](C)CC1 ZINC000659920421 415781572 /nfs/dbraw/zinc/78/15/72/415781572.db2.gz OXFGPPPNIGFHLD-UHFFFAOYSA-N 2 1 284.407 2.403 20 0 CEADMP Cc1cc(N2CCC([C@H]3CCC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000656608817 415784944 /nfs/dbraw/zinc/78/49/44/415784944.db2.gz MWBJPJNYWWYBGM-HNNXBMFYSA-N 2 1 274.412 2.309 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3c(n2)CCC3)C1 ZINC000656622227 415788459 /nfs/dbraw/zinc/78/84/59/415788459.db2.gz HKKGVXFNZMKUAZ-MAUKXSAKSA-N 2 1 285.435 2.486 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3c(n2)CCC3)C1 ZINC000656622227 415788467 /nfs/dbraw/zinc/78/84/67/415788467.db2.gz HKKGVXFNZMKUAZ-MAUKXSAKSA-N 2 1 285.435 2.486 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3c(n2)CCC3)C1 ZINC000656622227 415788475 /nfs/dbraw/zinc/78/84/75/415788475.db2.gz HKKGVXFNZMKUAZ-MAUKXSAKSA-N 2 1 285.435 2.486 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000659931594 415791834 /nfs/dbraw/zinc/79/18/34/415791834.db2.gz RFLHNQUVKQRNRS-OWCLPIDISA-N 2 1 280.456 2.201 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CCC1 ZINC000659947190 415800633 /nfs/dbraw/zinc/80/06/33/415800633.db2.gz JVCMBWZSFWHABY-GDBMZVCRSA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Cc2ccccc2)C1 ZINC000659950654 415803581 /nfs/dbraw/zinc/80/35/81/415803581.db2.gz QFWVJYXFOSYJHF-MSOLQXFVSA-N 2 1 290.451 2.252 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000659950654 415803585 /nfs/dbraw/zinc/80/35/85/415803585.db2.gz QFWVJYXFOSYJHF-MSOLQXFVSA-N 2 1 290.451 2.252 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000659950654 415803590 /nfs/dbraw/zinc/80/35/90/415803590.db2.gz QFWVJYXFOSYJHF-MSOLQXFVSA-N 2 1 290.451 2.252 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660068663 415869522 /nfs/dbraw/zinc/86/95/22/415869522.db2.gz ONFOCUHCMUCLLC-IXDOHACOSA-N 2 1 281.488 2.427 20 0 CEADMP COc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)on1 ZINC000660114425 415887676 /nfs/dbraw/zinc/88/76/76/415887676.db2.gz HDAIXFIWNGOJSG-IUODEOHRSA-N 2 1 291.395 2.132 20 0 CEADMP C[N@@H+](CCCC1CCC1)CCCN1CC[NH+](C)CC1 ZINC000660144756 415902354 /nfs/dbraw/zinc/90/23/54/415902354.db2.gz HLPWWMVNCGTSBF-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP [NH3+]CC1(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC000662669445 415925612 /nfs/dbraw/zinc/92/56/12/415925612.db2.gz ZIQJZQZQLHEEQS-AWEZNQCLSA-N 2 1 293.455 2.029 20 0 CEADMP C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@@H]1CCOC1 ZINC000656782362 415858530 /nfs/dbraw/zinc/85/85/30/415858530.db2.gz FMFZCHSUQJLBJT-GDBMZVCRSA-N 2 1 266.429 2.125 20 0 CEADMP COc1cc(C[NH2+]CC2([NH3+])CCCC2)cc(OC)c1OC ZINC000656788642 415862591 /nfs/dbraw/zinc/86/25/91/415862591.db2.gz WEJFZSXPUBSAFJ-UHFFFAOYSA-N 2 1 294.395 2.074 20 0 CEADMP CCCCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000078775182 177385510 /nfs/dbraw/zinc/38/55/10/177385510.db2.gz ZHZHLDHYZIDDDW-INIZCTEOSA-N 2 1 267.461 2.279 20 0 CEADMP Brc1cncc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000666857766 419448390 /nfs/dbraw/zinc/44/83/90/419448390.db2.gz INOZHLVYGNVZAF-GFCCVEGCSA-N 2 1 284.201 2.076 20 0 CEADMP CCn1nc(C[NH2+][C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000666857714 419448492 /nfs/dbraw/zinc/44/84/92/419448492.db2.gz GGKPSRNPTRNGNL-CYBMUJFWSA-N 2 1 272.396 2.288 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858933 419449932 /nfs/dbraw/zinc/44/99/32/419449932.db2.gz IXIIQMFTSWHBOM-ILXRZTDVSA-N 3 1 253.434 2.029 20 0 CEADMP O=C(Nc1cccc(C[NH2+]C2CC[NH2+]CC2)c1)C1CCC1 ZINC000667027816 419522573 /nfs/dbraw/zinc/52/25/73/419522573.db2.gz VOMJLKHYSCUHSM-UHFFFAOYSA-N 2 1 287.407 2.267 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000667055305 419528788 /nfs/dbraw/zinc/52/87/88/419528788.db2.gz VJUQXTCJABCHQX-UHFFFAOYSA-N 2 1 288.395 2.127 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000667055305 419528791 /nfs/dbraw/zinc/52/87/91/419528791.db2.gz VJUQXTCJABCHQX-UHFFFAOYSA-N 2 1 288.395 2.127 20 0 CEADMP c1nc2ccccn2c1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000666968802 419498518 /nfs/dbraw/zinc/49/85/18/419498518.db2.gz DCOJFTRWCXBCMQ-GOEBONIOSA-N 2 1 284.407 2.298 20 0 CEADMP c1nc2ccccn2c1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000666968802 419498522 /nfs/dbraw/zinc/49/85/22/419498522.db2.gz DCOJFTRWCXBCMQ-GOEBONIOSA-N 2 1 284.407 2.298 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1O ZINC000666998459 419508690 /nfs/dbraw/zinc/50/86/90/419508690.db2.gz VAEFGPZUPDCGGW-CYBMUJFWSA-N 2 1 276.380 2.165 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](C)CC(=O)N(C)C2CCCCC2)CC[NH2+]1 ZINC000666620236 419748281 /nfs/dbraw/zinc/74/82/81/419748281.db2.gz NFJXMSKTOIHHLI-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP COc1cc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)ccn1 ZINC000517974380 260329731 /nfs/dbraw/zinc/32/97/31/260329731.db2.gz ZUNBCCQKDDMGBI-ZDUSSCGKSA-N 2 1 265.401 2.471 20 0 CEADMP COc1cc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)ccn1 ZINC000517974380 260329732 /nfs/dbraw/zinc/32/97/32/260329732.db2.gz ZUNBCCQKDDMGBI-ZDUSSCGKSA-N 2 1 265.401 2.471 20 0 CEADMP CO[C@@H]1C[C@H]([N@H+](C)CCCc2c[nH+]cn2C)C12CCC2 ZINC000521062984 260341324 /nfs/dbraw/zinc/34/13/24/260341324.db2.gz FRQZWQQOMSEJCF-LSDHHAIUSA-N 2 1 277.412 2.242 20 0 CEADMP CO[C@@H]1C[C@H]([N@@H+](C)CCCc2c[nH+]cn2C)C12CCC2 ZINC000521062984 260341326 /nfs/dbraw/zinc/34/13/26/260341326.db2.gz FRQZWQQOMSEJCF-LSDHHAIUSA-N 2 1 277.412 2.242 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc(N2CCOC2=O)c1 ZINC000497183042 262085613 /nfs/dbraw/zinc/08/56/13/262085613.db2.gz XXJHVLZWNJGEBI-LLVKDONJSA-N 2 1 277.368 2.031 20 0 CEADMP C[N@H+](C/C=C/c1ccncc1)C[C@@H]1CCC[NH+](C)C1 ZINC000495056199 262274484 /nfs/dbraw/zinc/27/44/84/262274484.db2.gz BXWFKZJTASSZEU-WMHVBEDNSA-N 2 1 259.397 2.368 20 0 CEADMP C[N@@H+](C/C=C/c1ccncc1)C[C@@H]1CCC[NH+](C)C1 ZINC000495056199 262274485 /nfs/dbraw/zinc/27/44/85/262274485.db2.gz BXWFKZJTASSZEU-WMHVBEDNSA-N 2 1 259.397 2.368 20 0 CEADMP C[NH+](C/C=C/c1ccncc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000495056199 262274486 /nfs/dbraw/zinc/27/44/86/262274486.db2.gz BXWFKZJTASSZEU-WMHVBEDNSA-N 2 1 259.397 2.368 20 0 CEADMP C[NH+](C/C=C/c1ccncc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000495056199 262274487 /nfs/dbraw/zinc/27/44/87/262274487.db2.gz BXWFKZJTASSZEU-WMHVBEDNSA-N 2 1 259.397 2.368 20 0 CEADMP Cc1cc(N2CCC([NH2+]C[C@H]3C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000488558692 262349552 /nfs/dbraw/zinc/34/95/52/262349552.db2.gz NDGQJYOLQLVGMP-SMDDNHRTSA-N 2 1 274.412 2.308 20 0 CEADMP Cc1ncsc1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000391105982 262381673 /nfs/dbraw/zinc/38/16/73/262381673.db2.gz CTKWCSMSHRXQOZ-NTZNESFSSA-N 2 1 267.442 2.312 20 0 CEADMP C[C@@H](Cc1cnccn1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000453073626 263184967 /nfs/dbraw/zinc/18/49/67/263184967.db2.gz FQCHUGVRSXCDHT-AWEZNQCLSA-N 2 1 276.428 2.262 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCCC3(CCC3)C2)n1C ZINC000425344921 264016547 /nfs/dbraw/zinc/01/65/47/264016547.db2.gz UPRRFKGBKZZXEJ-UHFFFAOYSA-N 2 1 262.401 2.252 20 0 CEADMP COc1ccc(C)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044533443 270229947 /nfs/dbraw/zinc/22/99/47/270229947.db2.gz RFVQKZSMQCDWPX-AWEZNQCLSA-N 2 1 262.397 2.435 20 0 CEADMP COc1ccc(C)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044533443 270229948 /nfs/dbraw/zinc/22/99/48/270229948.db2.gz RFVQKZSMQCDWPX-AWEZNQCLSA-N 2 1 262.397 2.435 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000226396482 270310016 /nfs/dbraw/zinc/31/00/16/270310016.db2.gz BCMZSWFSYNHXEY-GOEBONIOSA-N 2 1 291.439 2.313 20 0 CEADMP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC1CCCCC1 ZINC000227800093 270311913 /nfs/dbraw/zinc/31/19/13/270311913.db2.gz MHMRMBXHNFHDHI-ROUUACIJSA-N 2 1 290.451 2.429 20 0 CEADMP C[N@@H+](CCC1CCOCC1)CC[C@@H]1CCC[NH2+]C1 ZINC000259042409 270329521 /nfs/dbraw/zinc/32/95/21/270329521.db2.gz PSBYIYZNYGCBMA-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CCC(C)(C)CC1 ZINC000311152030 270333111 /nfs/dbraw/zinc/33/31/11/270333111.db2.gz NKITTZMZBAKBIW-CQSZACIVSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCC(C)(C)CC1 ZINC000311152030 270333113 /nfs/dbraw/zinc/33/31/13/270333113.db2.gz NKITTZMZBAKBIW-CQSZACIVSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CCC(C)(C)CC1 ZINC000311152030 270333115 /nfs/dbraw/zinc/33/31/15/270333115.db2.gz NKITTZMZBAKBIW-CQSZACIVSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000311152030 270333117 /nfs/dbraw/zinc/33/31/17/270333117.db2.gz NKITTZMZBAKBIW-CQSZACIVSA-N 2 1 256.434 2.200 20 0 CEADMP CCc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000322736447 270335681 /nfs/dbraw/zinc/33/56/81/270335681.db2.gz VTBJPCYIPGJODS-YOGCLGLASA-N 2 1 265.426 2.420 20 0 CEADMP CCc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000322736447 270335682 /nfs/dbraw/zinc/33/56/82/270335682.db2.gz VTBJPCYIPGJODS-YOGCLGLASA-N 2 1 265.426 2.420 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395157948 270345711 /nfs/dbraw/zinc/34/57/11/270345711.db2.gz HBQMJBUWGJTWAN-DZGCQCFKSA-N 2 1 286.423 2.465 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCOc2ccccc2)C[C@H]1C[NH3+] ZINC000397411528 270354218 /nfs/dbraw/zinc/35/42/18/270354218.db2.gz WAOQZCWHINAVGC-QLFBSQMISA-N 2 1 262.397 2.371 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000398140530 270356960 /nfs/dbraw/zinc/35/69/60/270356960.db2.gz WFOXCUXCVMWKNJ-NJAFHUGGSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000398140530 270356963 /nfs/dbraw/zinc/35/69/63/270356963.db2.gz WFOXCUXCVMWKNJ-NJAFHUGGSA-N 2 1 287.451 2.239 20 0 CEADMP CC[C@]1(C)CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000399360785 270369326 /nfs/dbraw/zinc/36/93/26/270369326.db2.gz IMXMIRAYMOSJLR-YESZJQIVSA-N 2 1 276.424 2.039 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1c[nH+]ccc1N ZINC000422727639 270742973 /nfs/dbraw/zinc/74/29/73/270742973.db2.gz HRPJWCFBZLXHPY-GFCCVEGCSA-N 2 1 283.375 2.322 20 0 CEADMP CCC[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1nnc2ccccn21 ZINC000422734356 270745465 /nfs/dbraw/zinc/74/54/65/270745465.db2.gz COYATARXFSZAPG-MJBXVCDLSA-N 2 1 287.411 2.158 20 0 CEADMP C[C@@H](N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422798575 270774137 /nfs/dbraw/zinc/77/41/37/270774137.db2.gz RVXRNWGNFRIPJT-DJIMGWMZSA-N 2 1 279.472 2.371 20 0 CEADMP CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000422820605 270784175 /nfs/dbraw/zinc/78/41/75/270784175.db2.gz RKDZKEFHGOOWMK-CBBWQLFWSA-N 2 1 286.485 2.407 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n(C)n1 ZINC000423097926 270835190 /nfs/dbraw/zinc/83/51/90/270835190.db2.gz BRXKZMAWNRXBAK-BZUAXINKSA-N 2 1 276.428 2.129 20 0 CEADMP COc1cc([C@H](C)[NH2+]CC2C[NH2+]C2)ccc1SC ZINC000423308734 270893548 /nfs/dbraw/zinc/89/35/48/270893548.db2.gz YFEMBAFTPOUUNS-JTQLQIEISA-N 2 1 266.410 2.287 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(OC)c1 ZINC000423500882 270918984 /nfs/dbraw/zinc/91/89/84/270918984.db2.gz DEGWGYOCWHCETL-CVEARBPZSA-N 2 1 278.396 2.114 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CC12CCSCC2 ZINC000423564759 270926096 /nfs/dbraw/zinc/92/60/96/270926096.db2.gz YEETZDTWSWHUCG-JHJVBQTASA-N 2 1 254.443 2.107 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000424257256 271035669 /nfs/dbraw/zinc/03/56/69/271035669.db2.gz BCSWJPACNCWEOW-HESLUPGFSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC000424257256 271035673 /nfs/dbraw/zinc/03/56/73/271035673.db2.gz BCSWJPACNCWEOW-HESLUPGFSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)CC1CC([NH2+]CCC[N@H+]2CCCC[C@H]2C)C1 ZINC000424267388 271037930 /nfs/dbraw/zinc/03/79/30/271037930.db2.gz YFKOXCROVIBGKB-WLYUNCDWSA-N 2 1 282.428 2.182 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424291333 271040340 /nfs/dbraw/zinc/04/03/40/271040340.db2.gz NMXOPBRPGAJLOK-CHWSQXEVSA-N 2 1 258.369 2.002 20 0 CEADMP CN(C)c1ncc(C[N@@H+](C)CC2CCCCC2)n1C ZINC000425322652 271155039 /nfs/dbraw/zinc/15/50/39/271155039.db2.gz HWLYYMLFXGTEHR-UHFFFAOYSA-N 2 1 264.417 2.498 20 0 CEADMP C[C@H]1C[C@@H]1[N@H+]1CCN(CC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000428994899 271304445 /nfs/dbraw/zinc/30/44/45/271304445.db2.gz NYCXUMQFARKOON-IKGGRYGDSA-N 2 1 279.472 2.134 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430539397 271386761 /nfs/dbraw/zinc/38/67/61/271386761.db2.gz DQJUNBQNZKRHMZ-OAGGEKHMSA-N 2 1 297.487 2.471 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430539397 271386767 /nfs/dbraw/zinc/38/67/67/271386767.db2.gz DQJUNBQNZKRHMZ-OAGGEKHMSA-N 2 1 297.487 2.471 20 0 CEADMP C[C@@H]1CCC[N@H+](CCC(=O)NCC2CCCCC2)[C@@H]1C[NH3+] ZINC000430546812 271387842 /nfs/dbraw/zinc/38/78/42/271387842.db2.gz KFWHKWPFEMQZFU-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)[C@@H]1C[NH3+] ZINC000430546812 271387846 /nfs/dbraw/zinc/38/78/46/271387846.db2.gz KFWHKWPFEMQZFU-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430553551 271388175 /nfs/dbraw/zinc/38/81/75/271388175.db2.gz DDYJSZSEENEDTE-UONOGXRCSA-N 2 1 291.439 2.169 20 0 CEADMP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430553551 271388177 /nfs/dbraw/zinc/38/81/77/271388177.db2.gz DDYJSZSEENEDTE-UONOGXRCSA-N 2 1 291.439 2.169 20 0 CEADMP C[C@@](C[NH3+])([NH2+]CCCOc1ccc(F)cc1)C1CC1 ZINC000430558489 271390183 /nfs/dbraw/zinc/39/01/83/271390183.db2.gz YPSJJOXXQXIMGI-HNNXBMFYSA-N 2 1 266.360 2.312 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)C1CCCC1 ZINC000430572879 271392237 /nfs/dbraw/zinc/39/22/37/271392237.db2.gz PICOMRYSOWDVMX-HUUCEWRRSA-N 2 1 295.471 2.225 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)C1CCCC1 ZINC000430572879 271392240 /nfs/dbraw/zinc/39/22/40/271392240.db2.gz PICOMRYSOWDVMX-HUUCEWRRSA-N 2 1 295.471 2.225 20 0 CEADMP C[C@@](C[NH3+])([NH2+]CCC(=O)Nc1cccc(Cl)c1)C1CC1 ZINC000430575115 271392361 /nfs/dbraw/zinc/39/23/61/271392361.db2.gz JVDXVPLOXDCNGS-HNNXBMFYSA-N 2 1 295.814 2.386 20 0 CEADMP C[N@@H+](CCOc1cccc(F)c1)CC(C)(C)C[NH3+] ZINC000430599478 271399224 /nfs/dbraw/zinc/39/92/24/271399224.db2.gz QQQLJAMWXVOORG-UHFFFAOYSA-N 2 1 254.349 2.121 20 0 CEADMP C[C@H]([NH2+]CCSCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423032252 281002972 /nfs/dbraw/zinc/00/29/72/281002972.db2.gz XZGNKDFMVOPLCN-DTWKUNHWSA-N 2 1 256.337 2.012 20 0 CEADMP CC(C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000343251935 275875778 /nfs/dbraw/zinc/87/57/78/275875778.db2.gz NKURYRKECKKMPE-RRFJBIMHSA-N 2 1 254.418 2.169 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000349142753 276010314 /nfs/dbraw/zinc/01/03/14/276010314.db2.gz KHCYACFLGBWZJM-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000353435808 276043311 /nfs/dbraw/zinc/04/33/11/276043311.db2.gz GMCIOFSTSCBELM-BMFZPTHFSA-N 2 1 289.423 2.066 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2ccncc2)C1 ZINC000266600814 276106389 /nfs/dbraw/zinc/10/63/89/276106389.db2.gz QIBXIERYCYIAQX-INIZCTEOSA-N 2 1 261.413 2.288 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2ccncc2)C1 ZINC000266600814 276106390 /nfs/dbraw/zinc/10/63/90/276106390.db2.gz QIBXIERYCYIAQX-INIZCTEOSA-N 2 1 261.413 2.288 20 0 CEADMP CC1(C)CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000129553716 276118180 /nfs/dbraw/zinc/11/81/80/276118180.db2.gz LMNBHWMLKYPZOU-BFHYXJOUSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000129553716 276118181 /nfs/dbraw/zinc/11/81/81/276118181.db2.gz LMNBHWMLKYPZOU-BFHYXJOUSA-N 2 1 252.402 2.018 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000335820740 276151827 /nfs/dbraw/zinc/15/18/27/276151827.db2.gz XUMDELAMPKELMY-MRXNPFEDSA-N 2 1 274.408 2.454 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC000113504168 276198297 /nfs/dbraw/zinc/19/82/97/276198297.db2.gz LGKWVUWJGBAEGO-OAHLLOKOSA-N 2 1 267.461 2.134 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000358080037 276230337 /nfs/dbraw/zinc/23/03/37/276230337.db2.gz FNIIDVHHLVUMAQ-IHRRRGAJSA-N 2 1 284.444 2.427 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000353986233 276260718 /nfs/dbraw/zinc/26/07/18/276260718.db2.gz HRWWMRPLKAQIFH-OWCLPIDISA-N 2 1 265.445 2.077 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353986233 276260720 /nfs/dbraw/zinc/26/07/20/276260720.db2.gz HRWWMRPLKAQIFH-OWCLPIDISA-N 2 1 265.445 2.077 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353986233 276260721 /nfs/dbraw/zinc/26/07/21/276260721.db2.gz HRWWMRPLKAQIFH-OWCLPIDISA-N 2 1 265.445 2.077 20 0 CEADMP CC[NH+](CC)CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245787471 276326260 /nfs/dbraw/zinc/32/62/60/276326260.db2.gz ZSHLSSZQKCOZPE-RDJZCZTQSA-N 2 1 279.472 2.277 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085675101 276360400 /nfs/dbraw/zinc/36/04/00/276360400.db2.gz YWSASQBWGXZFNO-KFWWJZLASA-N 2 1 266.429 2.264 20 0 CEADMP CCS[C@@H]1CCCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351494726 276396123 /nfs/dbraw/zinc/39/61/23/276396123.db2.gz YSULANDONQEOEK-LSDHHAIUSA-N 2 1 286.485 2.049 20 0 CEADMP CCS[C@@H]1CCCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351494726 276396124 /nfs/dbraw/zinc/39/61/24/276396124.db2.gz YSULANDONQEOEK-LSDHHAIUSA-N 2 1 286.485 2.049 20 0 CEADMP CCS[C@@H]1CCCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351494726 276396125 /nfs/dbraw/zinc/39/61/25/276396125.db2.gz YSULANDONQEOEK-LSDHHAIUSA-N 2 1 286.485 2.049 20 0 CEADMP CCS[C@@H]1CCCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351494726 276396126 /nfs/dbraw/zinc/39/61/26/276396126.db2.gz YSULANDONQEOEK-LSDHHAIUSA-N 2 1 286.485 2.049 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCOC)C1 ZINC000337404354 276397938 /nfs/dbraw/zinc/39/79/38/276397938.db2.gz RKZZWBITRCAAEP-RBSFLKMASA-N 2 1 254.418 2.123 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](C2CCOCC2)C1 ZINC000336798450 277061353 /nfs/dbraw/zinc/06/13/53/277061353.db2.gz DYOWPERBNSPPCZ-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000336798450 277061354 /nfs/dbraw/zinc/06/13/54/277061354.db2.gz DYOWPERBNSPPCZ-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000336798450 277061355 /nfs/dbraw/zinc/06/13/55/277061355.db2.gz DYOWPERBNSPPCZ-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000253198676 277074586 /nfs/dbraw/zinc/07/45/86/277074586.db2.gz VVEAONBYKUTSDZ-SWLSCSKDSA-N 2 1 275.396 2.062 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCC[C@@H]2O)[C@@H]2CCC[C@@H]21 ZINC000353519580 277172150 /nfs/dbraw/zinc/17/21/50/277172150.db2.gz MTXBYYMOACLHRN-WOYTXXSLSA-N 2 1 280.456 2.390 20 0 CEADMP CC(C)(C)[NH2+]CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000414710250 277172896 /nfs/dbraw/zinc/17/28/96/277172896.db2.gz PTYFLEIUERYLME-GOEBONIOSA-N 2 1 279.472 2.323 20 0 CEADMP COC1(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CCCC1 ZINC000361550555 277183900 /nfs/dbraw/zinc/18/39/00/277183900.db2.gz SECNPTQCKUWMQS-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CCCC1 ZINC000361550555 277183902 /nfs/dbraw/zinc/18/39/02/277183902.db2.gz SECNPTQCKUWMQS-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)CCCC1 ZINC000361550555 277183903 /nfs/dbraw/zinc/18/39/03/277183903.db2.gz SECNPTQCKUWMQS-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000361550555 277183904 /nfs/dbraw/zinc/18/39/04/277183904.db2.gz SECNPTQCKUWMQS-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP COCCSCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000373233855 277234737 /nfs/dbraw/zinc/23/47/37/277234737.db2.gz WSEMALYKWZTUIC-CABCVRRESA-N 2 1 286.485 2.172 20 0 CEADMP COCCSCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000373233855 277234738 /nfs/dbraw/zinc/23/47/38/277234738.db2.gz WSEMALYKWZTUIC-CABCVRRESA-N 2 1 286.485 2.172 20 0 CEADMP COCCSCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000373233855 277234740 /nfs/dbraw/zinc/23/47/40/277234740.db2.gz WSEMALYKWZTUIC-CABCVRRESA-N 2 1 286.485 2.172 20 0 CEADMP CO[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000353682545 277327389 /nfs/dbraw/zinc/32/73/89/277327389.db2.gz OCTKNWLOYQZDMZ-FDYHWXHSSA-N 2 1 294.361 2.416 20 0 CEADMP CC(C)CC[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000351621753 277366767 /nfs/dbraw/zinc/36/67/67/277366767.db2.gz DBTVRAHKNYDWJY-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000352535076 277372285 /nfs/dbraw/zinc/37/22/85/277372285.db2.gz MEYJEDFMZXCQBC-KRWDZBQOSA-N 2 1 289.423 2.283 20 0 CEADMP COc1cc(C)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000352535076 277372286 /nfs/dbraw/zinc/37/22/86/277372286.db2.gz MEYJEDFMZXCQBC-KRWDZBQOSA-N 2 1 289.423 2.283 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000181519109 277392428 /nfs/dbraw/zinc/39/24/28/277392428.db2.gz ZVVJVNDFIYAGOT-IXDOHACOSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000181519109 277392429 /nfs/dbraw/zinc/39/24/29/277392429.db2.gz ZVVJVNDFIYAGOT-IXDOHACOSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000181519109 277392430 /nfs/dbraw/zinc/39/24/30/277392430.db2.gz ZVVJVNDFIYAGOT-IXDOHACOSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000181519109 277392431 /nfs/dbraw/zinc/39/24/31/277392431.db2.gz ZVVJVNDFIYAGOT-IXDOHACOSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000181519109 277392432 /nfs/dbraw/zinc/39/24/32/277392432.db2.gz ZVVJVNDFIYAGOT-IXDOHACOSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000181519109 277392433 /nfs/dbraw/zinc/39/24/33/277392433.db2.gz ZVVJVNDFIYAGOT-IXDOHACOSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000181519109 277392435 /nfs/dbraw/zinc/39/24/35/277392435.db2.gz ZVVJVNDFIYAGOT-IXDOHACOSA-N 3 1 281.488 2.427 20 0 CEADMP COC1(C[C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000373023545 277470504 /nfs/dbraw/zinc/47/05/04/277470504.db2.gz WOCQZFNBBCNTDY-ZIAGYGMSSA-N 2 1 277.412 2.383 20 0 CEADMP COc1ccc([C@@H](OC)[C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000271560919 277927042 /nfs/dbraw/zinc/92/70/42/277927042.db2.gz UHXYJGSWTCIBDX-DYVFJYSZSA-N 2 1 292.423 2.455 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000352716920 277971664 /nfs/dbraw/zinc/97/16/64/277971664.db2.gz IKYANZFODIHJME-OLZOCXBDSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000192478112 278003368 /nfs/dbraw/zinc/00/33/68/278003368.db2.gz COVXWXBUQVNLDR-XUWVNRHRSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCO1 ZINC000371427727 278025096 /nfs/dbraw/zinc/02/50/96/278025096.db2.gz YQVNUNZEYKNPCY-HZPDHXFCSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341287872 278162418 /nfs/dbraw/zinc/16/24/18/278162418.db2.gz RWBCZZYMALLHAU-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000341287872 278162420 /nfs/dbraw/zinc/16/24/20/278162420.db2.gz RWBCZZYMALLHAU-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000358090978 278164089 /nfs/dbraw/zinc/16/40/89/278164089.db2.gz WXWSHNUGLUQUDC-YNEHKIRRSA-N 2 1 270.417 2.037 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358090978 278164090 /nfs/dbraw/zinc/16/40/90/278164090.db2.gz WXWSHNUGLUQUDC-YNEHKIRRSA-N 2 1 270.417 2.037 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000350454827 278166876 /nfs/dbraw/zinc/16/68/76/278166876.db2.gz FZLVXKWSUVMDFQ-HYVNUMGLSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000350454827 278166879 /nfs/dbraw/zinc/16/68/79/278166879.db2.gz FZLVXKWSUVMDFQ-HYVNUMGLSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H](CC1CCOCC1)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000350454827 278166881 /nfs/dbraw/zinc/16/68/81/278166881.db2.gz FZLVXKWSUVMDFQ-HYVNUMGLSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H](CC1CCOCC1)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000350454827 278166885 /nfs/dbraw/zinc/16/68/85/278166885.db2.gz FZLVXKWSUVMDFQ-HYVNUMGLSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCOC1(C)C ZINC000328403070 278332261 /nfs/dbraw/zinc/33/22/61/278332261.db2.gz SDEHGIANEOQAIX-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000344140676 288076419 /nfs/dbraw/zinc/07/64/19/288076419.db2.gz WMWQNAQHZXKFNA-SYAUCNOPSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000353624420 288076958 /nfs/dbraw/zinc/07/69/58/288076958.db2.gz QJNLMANQESLILO-INWMFGNUSA-N 2 1 294.464 2.466 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000354089327 288077739 /nfs/dbraw/zinc/07/77/39/288077739.db2.gz CQPXJRKIQXMFQD-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000354089327 288077742 /nfs/dbraw/zinc/07/77/42/288077742.db2.gz CQPXJRKIQXMFQD-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000354089327 288077744 /nfs/dbraw/zinc/07/77/44/288077744.db2.gz CQPXJRKIQXMFQD-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000334859264 278841509 /nfs/dbraw/zinc/84/15/09/278841509.db2.gz XVYSIUCEEXVNBI-IUODEOHRSA-N 2 1 274.408 2.488 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC[NH+](C)C1CCCC1 ZINC000071376905 288103109 /nfs/dbraw/zinc/10/31/09/288103109.db2.gz DBESVJLBQBXBIV-IJEWVQPXSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NCC[N@H+](C)C1CCCC1 ZINC000071376905 288103111 /nfs/dbraw/zinc/10/31/11/288103111.db2.gz DBESVJLBQBXBIV-IJEWVQPXSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NCC[N@@H+](C)C1CCCC1 ZINC000071376905 288103112 /nfs/dbraw/zinc/10/31/12/288103112.db2.gz DBESVJLBQBXBIV-IJEWVQPXSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+](CC)CCCN(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000338283580 279092926 /nfs/dbraw/zinc/09/29/26/279092926.db2.gz SDAAGOWKIPJAOM-JKSUJKDBSA-N 2 1 269.477 2.380 20 0 CEADMP CC[NH+](CC)CCCN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000342743246 279093026 /nfs/dbraw/zinc/09/30/26/279093026.db2.gz PQXOKUSAWUOSHL-HNNXBMFYSA-N 2 1 255.450 2.133 20 0 CEADMP CC[NH+](CC)CCCN1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000338291281 279096456 /nfs/dbraw/zinc/09/64/56/279096456.db2.gz YKSXCPAJSCCQTP-HUUCEWRRSA-N 2 1 255.450 2.133 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000245501075 288105056 /nfs/dbraw/zinc/10/50/56/288105056.db2.gz BUNGYCTUBVKECM-MQYQWHSLSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1CCC[NH+](C)C1 ZINC000414193445 288106428 /nfs/dbraw/zinc/10/64/28/288106428.db2.gz TZKGXZCZMUYBAM-KLHDSHLOSA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414193445 288106429 /nfs/dbraw/zinc/10/64/29/288106429.db2.gz TZKGXZCZMUYBAM-KLHDSHLOSA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414193445 288106430 /nfs/dbraw/zinc/10/64/30/288106430.db2.gz TZKGXZCZMUYBAM-KLHDSHLOSA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414193445 288106431 /nfs/dbraw/zinc/10/64/31/288106431.db2.gz TZKGXZCZMUYBAM-KLHDSHLOSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414193445 288106432 /nfs/dbraw/zinc/10/64/32/288106432.db2.gz TZKGXZCZMUYBAM-KLHDSHLOSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCN(C)c1ccccc1 ZINC000125879756 288102125 /nfs/dbraw/zinc/10/21/25/288102125.db2.gz VVDBXVZFJRONMA-VYDXJSESSA-N 2 1 275.440 2.441 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000192438663 279160362 /nfs/dbraw/zinc/16/03/62/279160362.db2.gz JBDNUDBEPCVSQF-IYXRBSQSSA-N 2 1 270.417 2.038 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358184234 279253205 /nfs/dbraw/zinc/25/32/05/279253205.db2.gz XEQUSDCWCOCSLK-UMVBOHGHSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358184234 279253206 /nfs/dbraw/zinc/25/32/06/279253206.db2.gz XEQUSDCWCOCSLK-UMVBOHGHSA-N 2 1 254.418 2.264 20 0 CEADMP CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177491375 279256608 /nfs/dbraw/zinc/25/66/08/279256608.db2.gz IYKPRFRGTMPMNR-OKILXGFUSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000151951152 279309906 /nfs/dbraw/zinc/30/99/06/279309906.db2.gz RJPGLWJSENSOBK-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000151951152 279309909 /nfs/dbraw/zinc/30/99/09/279309909.db2.gz RJPGLWJSENSOBK-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000151951152 279309911 /nfs/dbraw/zinc/30/99/11/279309911.db2.gz RJPGLWJSENSOBK-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000367530933 279390697 /nfs/dbraw/zinc/39/06/97/279390697.db2.gz KJLKQIHEFYHYSY-ZQDZILKHSA-N 2 1 272.408 2.214 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1(C)C ZINC000185225503 279698860 /nfs/dbraw/zinc/69/88/60/279698860.db2.gz UIMODEDAXNZBIQ-LSDHHAIUSA-N 2 1 298.471 2.279 20 0 CEADMP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000353940162 279750283 /nfs/dbraw/zinc/75/02/83/279750283.db2.gz BECSBPFANLYSJD-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCN2CCc3sccc3C2)CC[N@H+]1C ZINC000132831842 280010214 /nfs/dbraw/zinc/01/02/14/280010214.db2.gz JSMJMJABJUAFHN-DZGCQCFKSA-N 2 1 293.480 2.179 20 0 CEADMP C[C@H](NCC[C@@H]1CCC[N@H+]1C)c1cn(-c2ccccc2)nn1 ZINC000185457181 280124530 /nfs/dbraw/zinc/12/45/30/280124530.db2.gz GDBXCYCDSNWNME-GJZGRUSLSA-N 2 1 299.422 2.402 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC2CC2)[C@@H](C)C1 ZINC000245415915 280238487 /nfs/dbraw/zinc/23/84/87/280238487.db2.gz DTLZURUWDGSZME-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC2CC2)[C@@H](C)C1 ZINC000245415915 280238490 /nfs/dbraw/zinc/23/84/90/280238490.db2.gz DTLZURUWDGSZME-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC2CC2)[C@@H](C)C1 ZINC000245415915 280238492 /nfs/dbraw/zinc/23/84/92/280238492.db2.gz DTLZURUWDGSZME-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)[NH+]1CCCC1 ZINC000192466318 280255616 /nfs/dbraw/zinc/25/56/16/280255616.db2.gz CJUSXCIBPYCBRL-KKUMJFAQSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000246067869 280271938 /nfs/dbraw/zinc/27/19/38/280271938.db2.gz SIGYULSJJBNYFW-IIYDPXPESA-N 2 1 292.471 2.288 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000247085487 280319943 /nfs/dbraw/zinc/31/99/43/280319943.db2.gz RFHAMXGHYVFBSC-LUYZLQTOSA-N 2 1 268.445 2.246 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000247125471 280320995 /nfs/dbraw/zinc/32/09/95/280320995.db2.gz VAMZLGNWBVMOFZ-KKUMJFAQSA-N 2 1 255.450 2.037 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247125471 280320996 /nfs/dbraw/zinc/32/09/96/280320996.db2.gz VAMZLGNWBVMOFZ-KKUMJFAQSA-N 2 1 255.450 2.037 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247125471 280320997 /nfs/dbraw/zinc/32/09/97/280320997.db2.gz VAMZLGNWBVMOFZ-KKUMJFAQSA-N 2 1 255.450 2.037 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+](C)C2CCCC2)[C@@H](C)C1 ZINC000247966751 280341101 /nfs/dbraw/zinc/34/11/01/280341101.db2.gz GWUOEMBAHLZICQ-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@H+](C)C2CCCC2)[C@@H](C)C1 ZINC000247966751 280341102 /nfs/dbraw/zinc/34/11/02/280341102.db2.gz GWUOEMBAHLZICQ-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@@H+](C)C2CCCC2)[C@@H](C)C1 ZINC000247966751 280341103 /nfs/dbraw/zinc/34/11/03/280341103.db2.gz GWUOEMBAHLZICQ-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000248645302 280357105 /nfs/dbraw/zinc/35/71/05/280357105.db2.gz GFVSUTXYHOJWQD-OLZOCXBDSA-N 2 1 254.443 2.489 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccnn1C ZINC000248830202 280366757 /nfs/dbraw/zinc/36/67/57/280366757.db2.gz HDTNEFBDWSJFFB-RBSFLKMASA-N 2 1 278.444 2.439 20 0 CEADMP CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000348315100 280739570 /nfs/dbraw/zinc/73/95/70/280739570.db2.gz CWDLEJNSEBHUSL-ARFHVFGLSA-N 2 1 297.487 2.391 20 0 CEADMP CCOc1c(OC)cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1OC ZINC000422838499 280931983 /nfs/dbraw/zinc/93/19/83/280931983.db2.gz OPLYGVQFGOLBJF-OLZOCXBDSA-N 2 1 294.395 2.072 20 0 CEADMP CC[C@H]([NH2+]CCOc1ccc(Cl)cn1)[C@@H]1CCC[NH2+]1 ZINC000422926964 280968611 /nfs/dbraw/zinc/96/86/11/280968611.db2.gz FHJNTODCOVGZPM-STQMWFEESA-N 2 1 283.803 2.234 20 0 CEADMP COc1ccc(Br)cc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422945150 280974627 /nfs/dbraw/zinc/97/46/27/280974627.db2.gz MPSIGLMZOSTKIB-SECBINFHSA-N 2 1 299.212 2.155 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](C)c1nccs1)[C@@H]1CCC[NH2+]1 ZINC000423030652 281001293 /nfs/dbraw/zinc/00/12/93/281001293.db2.gz CDZYPIHEMNZVBM-UTUOFQBUSA-N 2 1 253.415 2.367 20 0 CEADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)C1C[NH2+]C1 ZINC000423052784 281011997 /nfs/dbraw/zinc/01/19/97/281011997.db2.gz REBDKTCCVFEXQU-CRAIPNDOSA-N 2 1 289.467 2.341 20 0 CEADMP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423052784 281011998 /nfs/dbraw/zinc/01/19/98/281011998.db2.gz REBDKTCCVFEXQU-CRAIPNDOSA-N 2 1 289.467 2.341 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1O ZINC000423378895 281024881 /nfs/dbraw/zinc/02/48/81/281024881.db2.gz LGIAKDZLHHLKCR-GVXVVHGQSA-N 2 1 264.369 2.192 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C[C@@H]1OC ZINC000423403548 281029540 /nfs/dbraw/zinc/02/95/40/281029540.db2.gz YKCBOMSFWJADFD-DGAVXFQQSA-N 2 1 254.418 2.310 20 0 CEADMP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000423427563 281039091 /nfs/dbraw/zinc/03/90/91/281039091.db2.gz INHUQLDWMSZLMG-RFQIPJPRSA-N 2 1 298.308 2.380 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1SC ZINC000423440594 281043650 /nfs/dbraw/zinc/04/36/50/281043650.db2.gz UAUOFMDWLCTLKO-APAOZMKASA-N 2 1 278.421 2.286 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423469829 281050799 /nfs/dbraw/zinc/05/07/99/281050799.db2.gz KTHJGKRSJHYQBX-ORQFMDKSSA-N 2 1 275.440 2.052 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(CC)(CC)C[NH3+] ZINC000237031463 281052147 /nfs/dbraw/zinc/05/21/47/281052147.db2.gz GBLGOAGPGDOWLT-AWEZNQCLSA-N 2 1 283.460 2.132 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000423496455 281056204 /nfs/dbraw/zinc/05/62/04/281056204.db2.gz DWVWXYVFORNIQO-KBRIMQKVSA-N 2 1 275.440 2.179 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000423529266 281063084 /nfs/dbraw/zinc/06/30/84/281063084.db2.gz XPWAOSAVXLVSAA-QZTJIDSGSA-N 2 1 287.451 2.411 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](C2CCC2)C2CCCCC2)C1 ZINC000424278290 281143145 /nfs/dbraw/zinc/14/31/45/281143145.db2.gz IBTUUHLGOYQGCH-IRXDYDNUSA-N 2 1 280.456 2.392 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](C2CCC2)C2CCCCC2)C1 ZINC000424278290 281143146 /nfs/dbraw/zinc/14/31/46/281143146.db2.gz IBTUUHLGOYQGCH-IRXDYDNUSA-N 2 1 280.456 2.392 20 0 CEADMP Cc1ccc2[nH+]ccc(N3CC[N@H+](C[C@@H](C)O)C[C@@H]3C)c2c1 ZINC000192798762 281169442 /nfs/dbraw/zinc/16/94/42/281169442.db2.gz YTZJSYYNDFHABS-LSDHHAIUSA-N 2 1 299.418 2.435 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(C)(C)COC)C1 ZINC000426419114 281192157 /nfs/dbraw/zinc/19/21/57/281192157.db2.gz ZXEOCUBDGCJOOO-HNNXBMFYSA-N 2 1 286.460 2.092 20 0 CEADMP C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)[N@H+]1CCCC[C@H]1C ZINC000427265737 281195546 /nfs/dbraw/zinc/19/55/46/281195546.db2.gz DXGLWULOXTUPAY-PMPSAXMXSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH3+])CC2)c(F)c1 ZINC000430630865 281271513 /nfs/dbraw/zinc/27/15/13/281271513.db2.gz SSVPDYKRUFYTLW-LBPRGKRZSA-N 2 1 293.386 2.132 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000430931548 281281810 /nfs/dbraw/zinc/28/18/10/281281810.db2.gz ZODBTMMOJWXIAA-ZDUSSCGKSA-N 2 1 293.386 2.004 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000435380161 281386636 /nfs/dbraw/zinc/38/66/36/281386636.db2.gz MTIRGRPBPJHBTC-CQSZACIVSA-N 2 1 274.408 2.441 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000435380161 281386638 /nfs/dbraw/zinc/38/66/38/281386638.db2.gz MTIRGRPBPJHBTC-CQSZACIVSA-N 2 1 274.408 2.441 20 0 CEADMP C[NH2+]CCC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000435869784 281399448 /nfs/dbraw/zinc/39/94/48/281399448.db2.gz LHGKQTUWXVRATE-ZDUSSCGKSA-N 2 1 268.426 2.339 20 0 CEADMP C[NH2+]CCC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000435869784 281399450 /nfs/dbraw/zinc/39/94/50/281399450.db2.gz LHGKQTUWXVRATE-ZDUSSCGKSA-N 2 1 268.426 2.339 20 0 CEADMP CC(C)(C[NH2+]CC[C@H]1CCOC1)[NH+]1CCCCC1 ZINC000438085721 281446001 /nfs/dbraw/zinc/44/60/01/281446001.db2.gz DISORYRWHYTDPE-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000157724243 289219973 /nfs/dbraw/zinc/21/99/73/289219973.db2.gz IBAOWGQNCDIQNR-KBHBFKLGSA-N 2 1 297.443 2.114 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000157724243 289219974 /nfs/dbraw/zinc/21/99/74/289219974.db2.gz IBAOWGQNCDIQNR-KBHBFKLGSA-N 2 1 297.443 2.114 20 0 CEADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000124293548 289255980 /nfs/dbraw/zinc/25/59/80/289255980.db2.gz WJCPUUNKIFPNGW-OAGGEKHMSA-N 2 1 295.471 2.192 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000414974315 290061725 /nfs/dbraw/zinc/06/17/25/290061725.db2.gz JSGDRXOLEKANCW-YMAMQOFZSA-N 2 1 267.461 2.085 20 0 CEADMP CC[C@@H](C)N(CCc1c[nH+]cn1C)CC(=O)OC(C)(C)C ZINC000459359998 290126544 /nfs/dbraw/zinc/12/65/44/290126544.db2.gz CYOIHACLVZEWRY-CYBMUJFWSA-N 2 1 295.427 2.405 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000459380349 290131761 /nfs/dbraw/zinc/13/17/61/290131761.db2.gz BGVBIWJIYNDCMW-WBVHZDCISA-N 2 1 285.391 2.330 20 0 CEADMP CN(CCC[NH2+]C1CC[NH+](C2CC2)CC1)CC(F)(F)F ZINC000459384177 290133345 /nfs/dbraw/zinc/13/33/45/290133345.db2.gz YOPDRGYLMUJYIW-UHFFFAOYSA-N 2 1 293.377 2.087 20 0 CEADMP CC[N@H+](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000459406452 290139353 /nfs/dbraw/zinc/13/93/53/290139353.db2.gz UQNVPXCTSDGFBB-UHFFFAOYSA-N 3 1 290.455 2.370 20 0 CEADMP CC[N@@H+](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000459406452 290139355 /nfs/dbraw/zinc/13/93/55/290139355.db2.gz UQNVPXCTSDGFBB-UHFFFAOYSA-N 3 1 290.455 2.370 20 0 CEADMP COC1CCC(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459422334 290143753 /nfs/dbraw/zinc/14/37/53/290143753.db2.gz HVKCGPHZBJMFNA-UHFFFAOYSA-N 2 1 266.429 2.408 20 0 CEADMP O[C@H](C[NH2+]Cc1ccc(C2CC2)cc1)C[NH+]1CCCC1 ZINC000459433144 290147589 /nfs/dbraw/zinc/14/75/89/290147589.db2.gz BOZIZNGHFCMMFZ-QGZVFWFLSA-N 2 1 274.408 2.110 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459476651 290159316 /nfs/dbraw/zinc/15/93/16/290159316.db2.gz RQMPSHLPVPHJNG-CYBMUJFWSA-N 2 1 274.412 2.176 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459476651 290159321 /nfs/dbraw/zinc/15/93/21/290159321.db2.gz RQMPSHLPVPHJNG-CYBMUJFWSA-N 2 1 274.412 2.176 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000353533354 290219858 /nfs/dbraw/zinc/21/98/58/290219858.db2.gz RFDTVAFENJPBFL-QPSCCSFWSA-N 2 1 268.445 2.246 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@H]2CCC[C@H]21 ZINC000353533351 290220006 /nfs/dbraw/zinc/22/00/06/290220006.db2.gz RFDTVAFENJPBFL-APIJFGDWSA-N 2 1 268.445 2.246 20 0 CEADMP COc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000459733737 290220725 /nfs/dbraw/zinc/22/07/25/290220725.db2.gz SSSBKACXZUZANA-HNNXBMFYSA-N 2 1 286.419 2.379 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCC[C@@H]2O)[C@H]2CCC[C@H]21 ZINC000353519574 290221076 /nfs/dbraw/zinc/22/10/76/290221076.db2.gz MTXBYYMOACLHRN-ALYAQQCSSA-N 2 1 280.456 2.390 20 0 CEADMP CCCCNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000482133642 290313315 /nfs/dbraw/zinc/31/33/15/290313315.db2.gz DFQKHJFCRVOEQC-HZPDHXFCSA-N 2 1 297.487 2.393 20 0 CEADMP CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000484816668 290316639 /nfs/dbraw/zinc/31/66/39/290316639.db2.gz DEMQZFUIKJFNNO-BARDWOONSA-N 2 1 254.418 2.025 20 0 CEADMP C[C@H](C[NH2+]C[C@@H]1CCSC1)[N@H+]1CCC[C@@H](C)C1 ZINC000486956687 290323745 /nfs/dbraw/zinc/32/37/45/290323745.db2.gz NPMKJNUITIZLDP-MCIONIFRSA-N 2 1 256.459 2.450 20 0 CEADMP C(=C/c1ccncc1)\C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000486949320 290323119 /nfs/dbraw/zinc/32/31/19/290323119.db2.gz ZTOBQNIGSJWVSF-SYLAGYCLSA-N 2 1 257.381 2.311 20 0 CEADMP C[C@H](C[NH2+]C[C@@H]1CCSC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000486956687 290323743 /nfs/dbraw/zinc/32/37/43/290323743.db2.gz NPMKJNUITIZLDP-MCIONIFRSA-N 2 1 256.459 2.450 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342689916 290386258 /nfs/dbraw/zinc/38/62/58/290386258.db2.gz FYFPYDZVTRQHCD-HRCADAONSA-N 2 1 295.471 2.145 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]C2CC(C(C)C)C2)CC1 ZINC000488435930 290399177 /nfs/dbraw/zinc/39/91/77/290399177.db2.gz SXNMAUQJANCCOL-UHFFFAOYSA-N 2 1 281.488 2.428 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@@H]21 ZINC000125404673 295316298 /nfs/dbraw/zinc/31/62/98/295316298.db2.gz RWHONAIXACREEY-SDDRHHMPSA-N 2 1 280.334 2.015 20 0 CEADMP [NH3+][C@@H]1C[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000157385776 295325547 /nfs/dbraw/zinc/32/55/47/295325547.db2.gz CWNFOJLIUJHGGC-VUCTXSBTSA-N 2 1 271.408 2.205 20 0 CEADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2nccc(N)n2)CC1 ZINC000514946145 297559211 /nfs/dbraw/zinc/55/92/11/297559211.db2.gz BEMKKUPLSQNFLT-ZDUSSCGKSA-N 2 1 291.443 2.004 20 0 CEADMP c1ccc2c(c1)OCC[C@H]2C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178430 298045743 /nfs/dbraw/zinc/04/57/43/298045743.db2.gz LCZFBUWKLSVPGK-BBRMVZONSA-N 2 1 272.392 2.427 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000530219480 298054617 /nfs/dbraw/zinc/05/46/17/298054617.db2.gz PTTZUYVJJINXQZ-IAGOWNOFSA-N 2 1 294.414 2.457 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1(C)C ZINC000530222203 298056467 /nfs/dbraw/zinc/05/64/67/298056467.db2.gz QXXVGORTEGNJKU-JHJVBQTASA-N 2 1 252.402 2.064 20 0 CEADMP COC(C)(C)C[N@H+](C)CCCCn1cc[nH+]c1C ZINC000534315487 298173195 /nfs/dbraw/zinc/17/31/95/298173195.db2.gz CFPUJZATVAJTDY-UHFFFAOYSA-N 2 1 253.390 2.329 20 0 CEADMP COC(C)(C)C[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000534315487 298173197 /nfs/dbraw/zinc/17/31/97/298173197.db2.gz CFPUJZATVAJTDY-UHFFFAOYSA-N 2 1 253.390 2.329 20 0 CEADMP CN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000539416574 298247815 /nfs/dbraw/zinc/24/78/15/298247815.db2.gz TXXBIQSFTJLGOP-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000539509961 298249670 /nfs/dbraw/zinc/24/96/70/298249670.db2.gz KRTLSQUAMSIOKP-CYBMUJFWSA-N 2 1 299.418 2.484 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000539849363 298258567 /nfs/dbraw/zinc/25/85/67/298258567.db2.gz SOFIVKRBUCOJHJ-CQSZACIVSA-N 2 1 272.396 2.337 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3[nH]cnc3c2)C1 ZINC000539849363 298258568 /nfs/dbraw/zinc/25/85/68/298258568.db2.gz SOFIVKRBUCOJHJ-CQSZACIVSA-N 2 1 272.396 2.337 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000539849363 298258571 /nfs/dbraw/zinc/25/85/71/298258571.db2.gz SOFIVKRBUCOJHJ-CQSZACIVSA-N 2 1 272.396 2.337 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000539849363 298258574 /nfs/dbraw/zinc/25/85/74/298258574.db2.gz SOFIVKRBUCOJHJ-CQSZACIVSA-N 2 1 272.396 2.337 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000540360167 298264701 /nfs/dbraw/zinc/26/47/01/298264701.db2.gz KROJKWQVIWUYGW-CQSZACIVSA-N 3 1 290.455 2.292 20 0 CEADMP Cc1ccccc1[C@@H](CO)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000541056052 298274633 /nfs/dbraw/zinc/27/46/33/298274633.db2.gz WZFGKQRXUCGWGL-GOEBONIOSA-N 2 1 262.397 2.102 20 0 CEADMP Cc1ccccc1[C@@H](CO)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000541056052 298274635 /nfs/dbraw/zinc/27/46/35/298274635.db2.gz WZFGKQRXUCGWGL-GOEBONIOSA-N 2 1 262.397 2.102 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(C)(C)O)CC1 ZINC000545196796 298329999 /nfs/dbraw/zinc/32/99/99/298329999.db2.gz YSNNWFSKWBLXPK-UHFFFAOYSA-N 2 1 256.434 2.200 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](C)[NH+]2CC(C)C2)c1 ZINC000553210743 298490888 /nfs/dbraw/zinc/49/08/88/298490888.db2.gz OENQPWMYEWDCMQ-AWEZNQCLSA-N 2 1 289.423 2.335 20 0 CEADMP c1cnc2c(c1)cccc2C[NH2+]CCC[NH+]1CCC1 ZINC000563419320 298775683 /nfs/dbraw/zinc/77/56/83/298775683.db2.gz UFTJZRTUBIEWDW-UHFFFAOYSA-N 2 1 255.365 2.420 20 0 CEADMP Cc1cccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000567381106 299059264 /nfs/dbraw/zinc/05/92/64/299059264.db2.gz JMPSGGHNZUNAFK-INIZCTEOSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1cccc(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000567381106 299059267 /nfs/dbraw/zinc/05/92/67/299059267.db2.gz JMPSGGHNZUNAFK-INIZCTEOSA-N 2 1 273.424 2.350 20 0 CEADMP [NH3+]CCC[N@H+](Cc1cncs1)CC1CCCC1 ZINC000352525159 303378205 /nfs/dbraw/zinc/37/82/05/303378205.db2.gz FDJHGJPLKNORPA-UHFFFAOYSA-N 2 1 253.415 2.484 20 0 CEADMP CC(C)[C@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000500069595 313032432 /nfs/dbraw/zinc/03/24/32/313032432.db2.gz IJHCZJRCHHDMEW-KRWDZBQOSA-N 2 1 281.488 2.380 20 0 CEADMP CCn1ccnc1CN1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000517314384 313108552 /nfs/dbraw/zinc/10/85/52/313108552.db2.gz LPLQOPMVRIEEIW-UHFFFAOYSA-N 2 1 284.407 2.219 20 0 CEADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000527999772 313223716 /nfs/dbraw/zinc/22/37/16/313223716.db2.gz PWFCOSLKIVDLCH-RYPNDVFKSA-N 2 1 254.418 2.261 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCC2)[C@@H](C)C1 ZINC000528012119 313225479 /nfs/dbraw/zinc/22/54/79/313225479.db2.gz OCBUJVDLMFUMNZ-XIRDDKMYSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C2CCCC2)[C@@H](C)C1 ZINC000528012119 313225483 /nfs/dbraw/zinc/22/54/83/313225483.db2.gz OCBUJVDLMFUMNZ-XIRDDKMYSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C2CCCC2)[C@@H](C)C1 ZINC000528012119 313225487 /nfs/dbraw/zinc/22/54/87/313225487.db2.gz OCBUJVDLMFUMNZ-XIRDDKMYSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)[C@@H](C)C1 ZINC000528012119 313225493 /nfs/dbraw/zinc/22/54/93/313225493.db2.gz OCBUJVDLMFUMNZ-XIRDDKMYSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+]1CCN([C@H](C[NH2+]CC2(F)CC2)c2cccs2)CC1 ZINC000530318098 313292419 /nfs/dbraw/zinc/29/24/19/313292419.db2.gz PPRLAFAWECJQOY-CYBMUJFWSA-N 2 1 297.443 2.128 20 0 CEADMP C[NH+]1CCN([C@@H](C[NH2+]CC2(F)CC2)c2cccs2)CC1 ZINC000530318099 313292736 /nfs/dbraw/zinc/29/27/36/313292736.db2.gz PPRLAFAWECJQOY-ZDUSSCGKSA-N 2 1 297.443 2.128 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)C1CCOCC1 ZINC000532474858 313349196 /nfs/dbraw/zinc/34/91/96/313349196.db2.gz PUIFPLKMGQPVHV-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CCOCC1 ZINC000532473447 313349653 /nfs/dbraw/zinc/34/96/53/313349653.db2.gz OSDPTXSOSKQAIY-LSDHHAIUSA-N 2 1 254.418 2.121 20 0 CEADMP CCC(O)(CC)C(C)(C)C[NH2+]C1CC[NH+](C)CC1 ZINC000565242204 313812007 /nfs/dbraw/zinc/81/20/07/313812007.db2.gz MFWREQYMTXDSRV-UHFFFAOYSA-N 2 1 256.434 2.248 20 0 CEADMP CC1(C)C[NH+](CC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000568998192 313980306 /nfs/dbraw/zinc/98/03/06/313980306.db2.gz SSACPIOQKIDKTA-UHFFFAOYSA-N 2 1 295.471 2.101 20 0 CEADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000572234324 314125259 /nfs/dbraw/zinc/12/52/59/314125259.db2.gz SIICSPPTZOXKKZ-NEPJUHHUSA-N 2 1 266.360 2.312 20 0 CEADMP CC(C)c1noc([C@@H](C)[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000572295053 314129212 /nfs/dbraw/zinc/12/92/12/314129212.db2.gz RSKCGQQNSRSNML-LLVKDONJSA-N 2 1 266.389 2.315 20 0 CEADMP Cc1[nH+]ccn1CCCN1CCc2ccccc2[C@H]1C[NH3+] ZINC000573325138 314152313 /nfs/dbraw/zinc/15/23/13/314152313.db2.gz ROAPIFCHASUSLW-QGZVFWFLSA-N 2 1 284.407 2.140 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2cncn2C)[C@H](C)C1 ZINC000573574093 314169696 /nfs/dbraw/zinc/16/96/96/314169696.db2.gz JRPATJQGLJNHTE-ZBFHGGJFSA-N 2 1 278.444 2.015 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2cncn2C)[C@H](C)C1 ZINC000573574093 314169700 /nfs/dbraw/zinc/16/97/00/314169700.db2.gz JRPATJQGLJNHTE-ZBFHGGJFSA-N 2 1 278.444 2.015 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2cncn2C)[C@H](C)C1 ZINC000573574093 314169702 /nfs/dbraw/zinc/16/97/02/314169702.db2.gz JRPATJQGLJNHTE-ZBFHGGJFSA-N 2 1 278.444 2.015 20 0 CEADMP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000576588846 314291483 /nfs/dbraw/zinc/29/14/83/314291483.db2.gz SRQTZAXHJQPGTQ-AWEZNQCLSA-N 2 1 297.487 2.343 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000577482122 314381464 /nfs/dbraw/zinc/38/14/64/314381464.db2.gz TYJJRKDHGVROIC-HOCLYGCPSA-N 2 1 299.422 2.183 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H](C)O ZINC000386821226 321873971 /nfs/dbraw/zinc/87/39/71/321873971.db2.gz UEMLHXPPJGAATE-QAPCUYQASA-N 2 1 290.451 2.443 20 0 CEADMP COCCC1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCCCC1 ZINC000580555418 322326151 /nfs/dbraw/zinc/32/61/51/322326151.db2.gz RVWQGKLUSGFWIV-INIZCTEOSA-N 2 1 298.471 2.018 20 0 CEADMP COCCC1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCCCC1 ZINC000580555418 322326154 /nfs/dbraw/zinc/32/61/54/322326154.db2.gz RVWQGKLUSGFWIV-INIZCTEOSA-N 2 1 298.471 2.018 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)NCC1CCCCC1 ZINC000580764749 322342113 /nfs/dbraw/zinc/34/21/13/322342113.db2.gz IOECGGFGAJVHAY-KEYYUXOJSA-N 2 1 295.471 2.049 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)c1ccccc1 ZINC000581437416 322396667 /nfs/dbraw/zinc/39/66/67/322396667.db2.gz LFYNYLVGWDDODR-GOEBONIOSA-N 2 1 264.413 2.035 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)c1ccccc1 ZINC000581437416 322396669 /nfs/dbraw/zinc/39/66/69/322396669.db2.gz LFYNYLVGWDDODR-GOEBONIOSA-N 2 1 264.413 2.035 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](C)c1ccccc1 ZINC000581437416 322396672 /nfs/dbraw/zinc/39/66/72/322396672.db2.gz LFYNYLVGWDDODR-GOEBONIOSA-N 2 1 264.413 2.035 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000581437416 322396675 /nfs/dbraw/zinc/39/66/75/322396675.db2.gz LFYNYLVGWDDODR-GOEBONIOSA-N 2 1 264.413 2.035 20 0 CEADMP CCC[N@H+]1CCCN(CCC[NH+](CC)CC)CC1 ZINC000365037721 519851696 /nfs/dbraw/zinc/85/16/96/519851696.db2.gz BDFGIYFGPUSWDK-UHFFFAOYSA-N 2 1 255.450 2.136 20 0 CEADMP C(C[NH+]1CCCC1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000161619154 518386140 /nfs/dbraw/zinc/38/61/40/518386140.db2.gz DRANTXHCKRRAPX-UHFFFAOYSA-N 3 1 279.472 2.280 20 0 CEADMP Cc1ccc2cc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)ccc2n1 ZINC000415039946 534469334 /nfs/dbraw/zinc/46/93/34/534469334.db2.gz NOKXGSQJHRUBJL-INIZCTEOSA-N 2 1 285.391 2.011 20 0 CEADMP CCN(CC)c1ncc(C[NH2+][C@H](C)CC[NH+](C)C)s1 ZINC000049554060 520934248 /nfs/dbraw/zinc/93/42/48/520934248.db2.gz BVHCRAHDMMWZNX-GFCCVEGCSA-N 2 1 284.473 2.419 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000358163991 523993997 /nfs/dbraw/zinc/99/39/97/523993997.db2.gz JCTXURWBPJDEQK-ZDUSSCGKSA-N 2 1 289.206 2.150 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000358163991 523993999 /nfs/dbraw/zinc/99/39/99/523993999.db2.gz JCTXURWBPJDEQK-ZDUSSCGKSA-N 2 1 289.206 2.150 20 0 CEADMP C[C@H]1CC[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000163825262 524285828 /nfs/dbraw/zinc/28/58/28/524285828.db2.gz BIKGQGAKEYXLMD-STQMWFEESA-N 2 1 266.360 2.121 20 0 CEADMP C[C@H]1CC[C@H](C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)O1 ZINC000365099322 524404656 /nfs/dbraw/zinc/40/46/56/524404656.db2.gz XRZBMGZLUDTXSE-WMLDXEAASA-N 2 1 296.455 2.129 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000157720758 524738890 /nfs/dbraw/zinc/73/88/90/524738890.db2.gz UBXMFHGXYJPVIR-FVQBIDKESA-N 2 1 292.398 2.210 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000157720758 524738901 /nfs/dbraw/zinc/73/89/01/524738901.db2.gz UBXMFHGXYJPVIR-FVQBIDKESA-N 2 1 292.398 2.210 20 0 CEADMP c1ccc(OCC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000363414020 526486936 /nfs/dbraw/zinc/48/69/36/526486936.db2.gz JGNIJEPUDNUOOY-KBAYOESNSA-N 2 1 286.419 2.482 20 0 CEADMP c1ccc(OCC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000363414020 526486940 /nfs/dbraw/zinc/48/69/40/526486940.db2.gz JGNIJEPUDNUOOY-KBAYOESNSA-N 2 1 286.419 2.482 20 0 CEADMP c1ccc(OCC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000363414020 526486945 /nfs/dbraw/zinc/48/69/45/526486945.db2.gz JGNIJEPUDNUOOY-KBAYOESNSA-N 2 1 286.419 2.482 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000363472615 527400579 /nfs/dbraw/zinc/40/05/79/527400579.db2.gz SAAXHPIXYDXPSE-JKSUJKDBSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000363472615 527400582 /nfs/dbraw/zinc/40/05/82/527400582.db2.gz SAAXHPIXYDXPSE-JKSUJKDBSA-N 2 1 277.412 2.330 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc(C)oc2C)[C@@H](C)C1 ZINC000357800573 527879822 /nfs/dbraw/zinc/87/98/22/527879822.db2.gz WSFKGCUOQCOXPJ-FZMZJTMJSA-N 2 1 265.401 2.154 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)[C@]12CCCO2 ZINC000354982977 527951160 /nfs/dbraw/zinc/95/11/60/527951160.db2.gz NATRLVWBJIAMES-YHPRMOQLSA-N 2 1 296.455 2.031 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccncc2)CC1 ZINC000156449232 529143847 /nfs/dbraw/zinc/14/38/47/529143847.db2.gz TVGGAUNMOFXYST-MRXNPFEDSA-N 2 1 290.455 2.150 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CCO)c1cccs1 ZINC000754380795 574581914 /nfs/dbraw/zinc/58/19/14/574581914.db2.gz HIUPQJJAMWZDTE-CYBMUJFWSA-N 2 1 279.409 2.356 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CC ZINC000732293538 574618470 /nfs/dbraw/zinc/61/84/70/574618470.db2.gz MHHHCRXDEMLHHM-INIZCTEOSA-N 2 1 297.487 2.489 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000732293538 574618471 /nfs/dbraw/zinc/61/84/71/574618471.db2.gz MHHHCRXDEMLHHM-INIZCTEOSA-N 2 1 297.487 2.489 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000732293538 574618474 /nfs/dbraw/zinc/61/84/74/574618474.db2.gz MHHHCRXDEMLHHM-INIZCTEOSA-N 2 1 297.487 2.489 20 0 CEADMP CCS[C@@H]1CCCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000732588997 574623912 /nfs/dbraw/zinc/62/39/12/574623912.db2.gz BXKDKCOHLWGSFP-LSDHHAIUSA-N 2 1 286.485 2.051 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000747532437 575171614 /nfs/dbraw/zinc/17/16/14/575171614.db2.gz XUFVVGPFCRTRPG-VUDGCMKMSA-N 2 1 260.809 2.172 20 0 CEADMP CC(C)[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000749176721 575208021 /nfs/dbraw/zinc/20/80/21/575208021.db2.gz NTUGZNFPCVLGJT-HNNXBMFYSA-N 2 1 254.418 2.096 20 0 CEADMP CC(C)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000749176721 575208022 /nfs/dbraw/zinc/20/80/22/575208022.db2.gz NTUGZNFPCVLGJT-HNNXBMFYSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000751776984 575297641 /nfs/dbraw/zinc/29/76/41/575297641.db2.gz OUVZVOQHZQHTPA-NXHRZFHOSA-N 2 1 288.435 2.321 20 0 CEADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000751776984 575297642 /nfs/dbraw/zinc/29/76/42/575297642.db2.gz OUVZVOQHZQHTPA-NXHRZFHOSA-N 2 1 288.435 2.321 20 0 CEADMP CC(C)CC[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000948858551 614032965 /nfs/dbraw/zinc/03/29/65/614032965.db2.gz KLWJPNJWHQHIIK-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000971683689 614281381 /nfs/dbraw/zinc/28/13/81/614281381.db2.gz XYHKJLZMPCZKAA-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971683689 614281382 /nfs/dbraw/zinc/28/13/82/614281382.db2.gz XYHKJLZMPCZKAA-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971683689 614281384 /nfs/dbraw/zinc/28/13/84/614281384.db2.gz XYHKJLZMPCZKAA-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)C2C[NH+](C(C)C)C2)C1 ZINC000951214270 614647184 /nfs/dbraw/zinc/64/71/84/614647184.db2.gz HIQRUKUUIBAESY-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC)C2C[NH+](C(C)C)C2)C1 ZINC000951214270 614647187 /nfs/dbraw/zinc/64/71/87/614647187.db2.gz HIQRUKUUIBAESY-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC)CC1(C)C ZINC000974652633 614781917 /nfs/dbraw/zinc/78/19/17/614781917.db2.gz FORNSXJUXYHNEQ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974652633 614781919 /nfs/dbraw/zinc/78/19/19/614781919.db2.gz FORNSXJUXYHNEQ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974652633 614781921 /nfs/dbraw/zinc/78/19/21/614781921.db2.gz FORNSXJUXYHNEQ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000960956438 614869840 /nfs/dbraw/zinc/86/98/40/614869840.db2.gz BVKNQJOEQDTBRU-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000969792486 614973742 /nfs/dbraw/zinc/97/37/42/614973742.db2.gz JTTACXFHUXSYEG-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948755662 614992710 /nfs/dbraw/zinc/99/27/10/614992710.db2.gz HFNKILAFIVNYNU-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737035 615219537 /nfs/dbraw/zinc/21/95/37/615219537.db2.gz MDGDDJMCYHNHNM-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940737035 615219540 /nfs/dbraw/zinc/21/95/40/615219540.db2.gz MDGDDJMCYHNHNM-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940737035 615219542 /nfs/dbraw/zinc/21/95/42/615219542.db2.gz MDGDDJMCYHNHNM-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1)[NH+](C)C ZINC000960868317 615370586 /nfs/dbraw/zinc/37/05/86/615370586.db2.gz HZZHUCXDBXNQCS-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1)[NH+](C)C ZINC000960868318 615371450 /nfs/dbraw/zinc/37/14/50/615371450.db2.gz HZZHUCXDBXNQCS-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000977214553 615417136 /nfs/dbraw/zinc/41/71/36/615417136.db2.gz FFVAAOJWXZHGPF-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C(C)C)C1 ZINC001024009906 625290792 /nfs/dbraw/zinc/29/07/92/625290792.db2.gz AIXXIQSZFKSIEY-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+](CCC[NH2+][C@@H]1C(=O)NCC1(C)C)C1CCCCC1 ZINC000926647603 625614752 /nfs/dbraw/zinc/61/47/52/625614752.db2.gz DNVSNYADDWXJSQ-OAHLLOKOSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@@H+](CCC[NH2+][C@@H]1C(=O)NCC1(C)C)C1CCCCC1 ZINC000926647603 625614755 /nfs/dbraw/zinc/61/47/55/625614755.db2.gz DNVSNYADDWXJSQ-OAHLLOKOSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000121868490 623139939 /nfs/dbraw/zinc/13/99/39/623139939.db2.gz YTMDZRXIEJDGRM-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP CCc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000130203731 623577737 /nfs/dbraw/zinc/57/77/37/623577737.db2.gz QARJPBMFUDPIKY-VXGBXAGGSA-N 2 1 267.442 2.320 20 0 CEADMP C[C@@H]1C[N@H+](Cc2scnc2C2CC2)CC[C@@H]1[NH3+] ZINC000261921856 623627066 /nfs/dbraw/zinc/62/70/66/623627066.db2.gz KOXVDNANORFJPP-KOLCDFICSA-N 2 1 251.399 2.190 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2scnc2C2CC2)CC[C@@H]1[NH3+] ZINC000261921856 623627070 /nfs/dbraw/zinc/62/70/70/623627070.db2.gz KOXVDNANORFJPP-KOLCDFICSA-N 2 1 251.399 2.190 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C[C@H]1C ZINC000933372727 623690940 /nfs/dbraw/zinc/69/09/40/623690940.db2.gz UUQNIAMCVVXPNZ-PMPSAXMXSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC000933372727 623690948 /nfs/dbraw/zinc/69/09/48/623690948.db2.gz UUQNIAMCVVXPNZ-PMPSAXMXSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC000933372727 623690954 /nfs/dbraw/zinc/69/09/54/623690954.db2.gz UUQNIAMCVVXPNZ-PMPSAXMXSA-N 2 1 295.471 2.190 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@]1(C)CCOc2ccccc21 ZINC000933374010 623692555 /nfs/dbraw/zinc/69/25/55/623692555.db2.gz JBTYJXPCKLDCOG-MRXNPFEDSA-N 2 1 271.364 2.479 20 0 CEADMP C[N@H+](C[C@H]1C[C@@]1(C)Br)C[C@H]1CCC[NH+](C)C1 ZINC000891670180 623879924 /nfs/dbraw/zinc/87/99/24/623879924.db2.gz HNJPUZRKTJXSKE-YNEHKIRRSA-N 2 1 289.261 2.434 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@]1(C)Br)C[C@H]1CCC[NH+](C)C1 ZINC000891670180 623879931 /nfs/dbraw/zinc/87/99/31/623879931.db2.gz HNJPUZRKTJXSKE-YNEHKIRRSA-N 2 1 289.261 2.434 20 0 CEADMP C[NH+](C[C@H]1C[C@@]1(C)Br)C[C@H]1CCC[N@H+](C)C1 ZINC000891670180 623879944 /nfs/dbraw/zinc/87/99/44/623879944.db2.gz HNJPUZRKTJXSKE-YNEHKIRRSA-N 2 1 289.261 2.434 20 0 CEADMP C[NH+](C[C@H]1C[C@@]1(C)Br)C[C@H]1CCC[N@@H+](C)C1 ZINC000891670180 623879954 /nfs/dbraw/zinc/87/99/54/623879954.db2.gz HNJPUZRKTJXSKE-YNEHKIRRSA-N 2 1 289.261 2.434 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743156 623989533 /nfs/dbraw/zinc/98/95/33/623989533.db2.gz LIVRTTHCWBBQHX-YYIAUSFCSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743156 623989535 /nfs/dbraw/zinc/98/95/35/623989535.db2.gz LIVRTTHCWBBQHX-YYIAUSFCSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933743156 623989537 /nfs/dbraw/zinc/98/95/37/623989537.db2.gz LIVRTTHCWBBQHX-YYIAUSFCSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933743156 623989539 /nfs/dbraw/zinc/98/95/39/623989539.db2.gz LIVRTTHCWBBQHX-YYIAUSFCSA-N 2 1 280.456 2.465 20 0 CEADMP Cc1ccc(NCCCNC(=O)CC[NH2+]C(C)(C)C)[nH+]c1 ZINC000934048142 624173544 /nfs/dbraw/zinc/17/35/44/624173544.db2.gz LQWFUAOKJYICEK-UHFFFAOYSA-N 2 1 292.427 2.086 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]C2CC3(C2)CCCC3)CC1(C)C ZINC000926356424 624336323 /nfs/dbraw/zinc/33/63/23/624336323.db2.gz HXSXBPBQAMJCDS-UHFFFAOYSA-N 2 1 279.472 2.325 20 0 CEADMP CNc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000902079813 634453155 /nfs/dbraw/zinc/45/31/55/634453155.db2.gz ZOWBZDXTFLJZCA-LSDHHAIUSA-N 2 1 259.397 2.445 20 0 CEADMP CCON1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000926738488 625930334 /nfs/dbraw/zinc/93/03/34/625930334.db2.gz LSKYYTIVTKODAT-INIZCTEOSA-N 2 1 295.471 2.114 20 0 CEADMP C(C[NH+]1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820806886 634533543 /nfs/dbraw/zinc/53/35/43/634533543.db2.gz URPFQFFVXVXEQP-ZXFUBFMLSA-N 2 1 277.456 2.220 20 0 CEADMP C(CN1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820806886 634533548 /nfs/dbraw/zinc/53/35/48/634533548.db2.gz URPFQFFVXVXEQP-ZXFUBFMLSA-N 2 1 277.456 2.220 20 0 CEADMP C(CN1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820806886 634533552 /nfs/dbraw/zinc/53/35/52/634533552.db2.gz URPFQFFVXVXEQP-ZXFUBFMLSA-N 2 1 277.456 2.220 20 0 CEADMP OCCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000820807259 634533908 /nfs/dbraw/zinc/53/39/08/634533908.db2.gz DSAKLQBHVHTTTP-VYDXJSESSA-N 2 1 280.456 2.392 20 0 CEADMP C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1cccc(C[NH+](C)C)c1 ZINC000820807079 634534310 /nfs/dbraw/zinc/53/43/10/634534310.db2.gz ZJUWTOIPVFYLLB-CYBMUJFWSA-N 2 1 299.422 2.137 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)on1 ZINC000820811718 634537121 /nfs/dbraw/zinc/53/71/21/634537121.db2.gz VAMUVGYFRKUHRX-LLVKDONJSA-N 2 1 278.356 2.319 20 0 CEADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)N(C)C ZINC000902335936 634597619 /nfs/dbraw/zinc/59/76/19/634597619.db2.gz LGRZXJNDRABNKE-HUUCEWRRSA-N 2 1 269.477 2.331 20 0 CEADMP C[C@@H]1C[N@@H+](CCCOc2ccccc2)CC[C@@H]1C[NH3+] ZINC000122306614 627733144 /nfs/dbraw/zinc/73/31/44/627733144.db2.gz YMVPTHYEZXXPDS-HUUCEWRRSA-N 2 1 262.397 2.372 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000236633224 627735972 /nfs/dbraw/zinc/73/59/72/627735972.db2.gz MNOPIBNHNMSYHW-AWEZNQCLSA-N 2 1 283.460 2.084 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1C ZINC000892760671 627755922 /nfs/dbraw/zinc/75/59/22/627755922.db2.gz YMIIUJBQQJJXPJ-UHFFFAOYSA-N 2 1 287.363 2.076 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]2C1 ZINC000314349784 627913564 /nfs/dbraw/zinc/91/35/64/627913564.db2.gz POWCZPRJAQTHRM-OLZOCXBDSA-N 2 1 293.342 2.117 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]2C1 ZINC000314349784 627913567 /nfs/dbraw/zinc/91/35/67/627913567.db2.gz POWCZPRJAQTHRM-OLZOCXBDSA-N 2 1 293.342 2.117 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]2C1 ZINC000314349784 627913571 /nfs/dbraw/zinc/91/35/71/627913571.db2.gz POWCZPRJAQTHRM-OLZOCXBDSA-N 2 1 293.342 2.117 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]2C1 ZINC000314349784 627913578 /nfs/dbraw/zinc/91/35/78/627913578.db2.gz POWCZPRJAQTHRM-OLZOCXBDSA-N 2 1 293.342 2.117 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]2C1 ZINC000314349784 627913582 /nfs/dbraw/zinc/91/35/82/627913582.db2.gz POWCZPRJAQTHRM-OLZOCXBDSA-N 2 1 293.342 2.117 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C(C)C)C1 ZINC001007749963 627971453 /nfs/dbraw/zinc/97/14/53/627971453.db2.gz VIFPSIAOVLTFDU-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001007749963 627971456 /nfs/dbraw/zinc/97/14/56/627971456.db2.gz VIFPSIAOVLTFDU-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC001007749963 627971459 /nfs/dbraw/zinc/97/14/59/627971459.db2.gz VIFPSIAOVLTFDU-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](CO)c2cccc(F)c2)C1 ZINC000902362824 634618936 /nfs/dbraw/zinc/61/89/36/634618936.db2.gz SDONNHHWKHGRAR-GJZGRUSLSA-N 2 1 280.387 2.227 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)N1CCCCC1 ZINC000902365027 634619573 /nfs/dbraw/zinc/61/95/73/634619573.db2.gz WMCLMPDGHKXMCD-HUUCEWRRSA-N 2 1 267.461 2.229 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2Cc3ccccc3CN2)C1 ZINC000902408537 634623325 /nfs/dbraw/zinc/62/33/25/634623325.db2.gz YQGIVGNNGWLVKZ-SJORKVTESA-N 2 1 287.451 2.069 20 0 CEADMP c1ccc2c(c1)CCN2CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925516916 628059856 /nfs/dbraw/zinc/05/98/56/628059856.db2.gz JWVNAQQMLVKLCW-QGZVFWFLSA-N 2 1 285.435 2.313 20 0 CEADMP Cc1cccc(C)c1OCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925586513 628264786 /nfs/dbraw/zinc/26/47/86/628264786.db2.gz SUFBPUOKCHTLNY-VIQHNZTISA-N 2 1 286.419 2.268 20 0 CEADMP [NH3+]C1(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000902418590 634644837 /nfs/dbraw/zinc/64/48/37/634644837.db2.gz WWRGRCKTXLBRLP-CYBMUJFWSA-N 2 1 295.224 2.387 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1ccccc1 ZINC000925669300 628452074 /nfs/dbraw/zinc/45/20/74/628452074.db2.gz AAXJLHFSFXXYDG-UGQVUOCMSA-N 2 1 262.397 2.337 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC=CO2)[C@H](C)C1 ZINC000193998606 628494596 /nfs/dbraw/zinc/49/45/96/628494596.db2.gz HAWWKDORKMFVQA-ILXRZTDVSA-N 2 1 252.402 2.341 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC=CO2)[C@H](C)C1 ZINC000193998606 628494601 /nfs/dbraw/zinc/49/46/01/628494601.db2.gz HAWWKDORKMFVQA-ILXRZTDVSA-N 2 1 252.402 2.341 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC=CO2)[C@H](C)C1 ZINC000193998606 628494604 /nfs/dbraw/zinc/49/46/04/628494604.db2.gz HAWWKDORKMFVQA-ILXRZTDVSA-N 2 1 252.402 2.341 20 0 CEADMP CC(C)[NH2+]CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925690883 628506730 /nfs/dbraw/zinc/50/67/30/628506730.db2.gz HYPWHWBALYIUQN-CVEARBPZSA-N 3 1 267.461 2.132 20 0 CEADMP C[NH+]1C[C@@]2(C)C[NH+](CCCc3ccncc3)C[C@]2(C)C1 ZINC000931310646 628510742 /nfs/dbraw/zinc/51/07/42/628510742.db2.gz HADRDGREJNTMHR-IRXDYDNUSA-N 2 1 273.424 2.288 20 0 CEADMP C[NH+]1C[C@]2(C)C[NH+](CC[C@@H](O)c3ccccc3)C[C@@]2(C)C1 ZINC000931314007 628515109 /nfs/dbraw/zinc/51/51/09/628515109.db2.gz IEWXNEFSXXKQQS-KZNAEPCWSA-N 2 1 288.435 2.384 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cn2c(n1)CCCC2 ZINC000925702816 628542128 /nfs/dbraw/zinc/54/21/28/628542128.db2.gz AASWYEAZUCNKNI-ZDUSSCGKSA-N 2 1 274.412 2.132 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cn2c(n1)CCCC2 ZINC000925702816 628542132 /nfs/dbraw/zinc/54/21/32/628542132.db2.gz AASWYEAZUCNKNI-ZDUSSCGKSA-N 2 1 274.412 2.132 20 0 CEADMP COCC1(CC[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925707720 628554137 /nfs/dbraw/zinc/55/41/37/628554137.db2.gz QXSFCFWDJQUSQK-DZGCQCFKSA-N 2 1 262.397 2.481 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000925712565 628563115 /nfs/dbraw/zinc/56/31/15/628563115.db2.gz YDUMZMIVXYSZSR-HRCADAONSA-N 2 1 274.408 2.289 20 0 CEADMP N[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000313609212 628623863 /nfs/dbraw/zinc/62/38/63/628623863.db2.gz IFXCUFLSVNNGKK-RCCFBDPRSA-N 2 1 282.387 2.147 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000925727779 628647182 /nfs/dbraw/zinc/64/71/82/628647182.db2.gz HXJSLWPSJVLYAH-XEZPLFJOSA-N 3 1 261.413 2.053 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000893501183 628657560 /nfs/dbraw/zinc/65/75/60/628657560.db2.gz MQRRKNKXALPVMK-KRWDZBQOSA-N 2 1 273.424 2.288 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902451007 634673390 /nfs/dbraw/zinc/67/33/90/634673390.db2.gz VNMFVUBXYYSLOZ-PVAVHDDUSA-N 2 1 287.451 2.095 20 0 CEADMP COCC[C@H](Cc1ccco1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893515055 628669690 /nfs/dbraw/zinc/66/96/90/628669690.db2.gz GPFVZRBUSAZUDU-WZYMTQMTSA-N 2 1 292.423 2.442 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@H+]1CCC(C)(C)C1 ZINC000902454033 634676145 /nfs/dbraw/zinc/67/61/45/634676145.db2.gz DZTGTFUMHITNEB-DOTOQJQBSA-N 2 1 289.467 2.266 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cccc(Br)c2)CC1 ZINC000259053195 628789410 /nfs/dbraw/zinc/78/94/10/628789410.db2.gz KJEBGAKRQPVUSO-UHFFFAOYSA-N 2 1 255.159 2.030 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4c3CC[NH2+]C4)CC[C@@H]21 ZINC000317472540 628834416 /nfs/dbraw/zinc/83/44/16/628834416.db2.gz CPLCVXJUXPHUBA-HKUYNNGSSA-N 3 1 299.462 2.248 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CC[C@@H]21 ZINC000317472540 628834419 /nfs/dbraw/zinc/83/44/19/628834419.db2.gz CPLCVXJUXPHUBA-HKUYNNGSSA-N 3 1 299.462 2.248 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CC[C@@H]21 ZINC000317472540 628834420 /nfs/dbraw/zinc/83/44/20/628834420.db2.gz CPLCVXJUXPHUBA-HKUYNNGSSA-N 3 1 299.462 2.248 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccnn1C1CCC1 ZINC000925814772 628870117 /nfs/dbraw/zinc/87/01/17/628870117.db2.gz PSIWJFSIZIVDAI-CHWSQXEVSA-N 2 1 285.395 2.470 20 0 CEADMP CC(C)[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)C1CC1 ZINC000925845906 628948426 /nfs/dbraw/zinc/94/84/26/628948426.db2.gz SJSQYDNPEIQSME-MRXNPFEDSA-N 2 1 267.461 2.086 20 0 CEADMP CCCC[C@@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925848218 628952970 /nfs/dbraw/zinc/95/29/70/628952970.db2.gz CRQKIDOSGXUBPT-OAHLLOKOSA-N 2 1 255.450 2.230 20 0 CEADMP CS[C@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000235138713 628966121 /nfs/dbraw/zinc/96/61/21/628966121.db2.gz WKEWMKBKFGHMJM-OLZOCXBDSA-N 2 1 253.415 2.455 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+]C[C@H]2CCCCC[NH2+]2)n1 ZINC000902481347 634699999 /nfs/dbraw/zinc/69/99/99/634699999.db2.gz BYIJDDWWKABMDT-DZGCQCFKSA-N 2 1 277.412 2.143 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000894068838 629112231 /nfs/dbraw/zinc/11/22/31/629112231.db2.gz ZGHSWGSNAFKYMM-QGZVFWFLSA-N 2 1 296.455 2.239 20 0 CEADMP CO[C@@]1(C)CCC[N@@H+](CC2CC[NH+](C)CC2)CC1 ZINC000894170274 629186572 /nfs/dbraw/zinc/18/65/72/629186572.db2.gz BAMYLBPIXFHVNR-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP CC1CC[NH+](CCCC[NH2+]Cc2c[nH]cn2)CC1 ZINC000894180408 629194009 /nfs/dbraw/zinc/19/40/09/629194009.db2.gz GLJRYCIVKGKYBD-UHFFFAOYSA-N 2 1 250.390 2.011 20 0 CEADMP CC(C)CC[NH+]1CCC(N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000924964473 629303038 /nfs/dbraw/zinc/30/30/38/629303038.db2.gz PVBJWWSZGRAWSB-MRXNPFEDSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000924964473 629303041 /nfs/dbraw/zinc/30/30/41/629303041.db2.gz PVBJWWSZGRAWSB-MRXNPFEDSA-N 2 1 279.472 2.323 20 0 CEADMP c1nc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c[nH]1 ZINC000894320405 629351759 /nfs/dbraw/zinc/35/17/59/629351759.db2.gz LMOXLEWIVOCZSO-UHFFFAOYSA-N 2 1 262.401 2.296 20 0 CEADMP c1cc2cc(C[NH2+]C[C@H]3CN4CCC[C@@H]4CO3)ccc2cn1 ZINC000319837421 629381636 /nfs/dbraw/zinc/38/16/36/629381636.db2.gz XIMOSDRZRFDUFG-MSOLQXFVSA-N 2 1 297.402 2.188 20 0 CEADMP Cc1ccnc(N)c1CNC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000894358688 629390551 /nfs/dbraw/zinc/39/05/51/629390551.db2.gz IXMMOZWYLQYTME-HNNXBMFYSA-N 2 1 290.455 2.430 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000894358688 629390557 /nfs/dbraw/zinc/39/05/57/629390557.db2.gz IXMMOZWYLQYTME-HNNXBMFYSA-N 2 1 290.455 2.430 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000894358688 629390559 /nfs/dbraw/zinc/39/05/59/629390559.db2.gz IXMMOZWYLQYTME-HNNXBMFYSA-N 2 1 290.455 2.430 20 0 CEADMP Oc1cccc2c(NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc[nH+]c12 ZINC000795082424 629433411 /nfs/dbraw/zinc/43/34/11/629433411.db2.gz YESIHJVWLDGASP-CHWSQXEVSA-N 2 1 299.374 2.216 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)C[C@@H]1C[C@@]1(C)Br ZINC000894472741 629476717 /nfs/dbraw/zinc/47/67/17/629476717.db2.gz VUWFZIFDSUQUGB-NWDGAFQWSA-N 2 1 277.250 2.434 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn2ccnc2s1 ZINC000894476612 629484176 /nfs/dbraw/zinc/48/41/76/629484176.db2.gz QUVTXYUQFWJBDJ-UHFFFAOYSA-N 2 1 289.408 2.423 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn2ccnc2s1 ZINC000894476612 629484184 /nfs/dbraw/zinc/48/41/84/629484184.db2.gz QUVTXYUQFWJBDJ-UHFFFAOYSA-N 2 1 289.408 2.423 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)CC1 ZINC000894485983 629489180 /nfs/dbraw/zinc/48/91/80/629489180.db2.gz ROWINNSILWSHRM-DLBZAZTESA-N 2 1 280.456 2.467 20 0 CEADMP CC(C)[C@@]1(CO)CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000894646743 629572739 /nfs/dbraw/zinc/57/27/39/629572739.db2.gz ZGNKRULXYWCASA-INIZCTEOSA-N 2 1 268.445 2.059 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCCO1 ZINC000894655339 629577007 /nfs/dbraw/zinc/57/70/07/629577007.db2.gz IWCIMFCCNJZXJY-HNNXBMFYSA-N 2 1 254.418 2.075 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H](CO)CC(C)(C)C ZINC000894746250 629615767 /nfs/dbraw/zinc/61/57/67/629615767.db2.gz VTIOOPUDHOUXHY-CQSZACIVSA-N 2 1 256.434 2.057 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2COC[C@H]2CC)[C@H](C)C1 ZINC000925079402 629633522 /nfs/dbraw/zinc/63/35/22/629633522.db2.gz VGIAQCMHOSEJJE-WCXIOVBPSA-N 2 1 298.471 2.138 20 0 CEADMP CCc1onc(C)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000894860918 629698353 /nfs/dbraw/zinc/69/83/53/629698353.db2.gz KWNBEJHYJPHJHV-CYBMUJFWSA-N 2 1 265.401 2.367 20 0 CEADMP C([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCC2(CC1)OCCO2 ZINC000795900973 629704859 /nfs/dbraw/zinc/70/48/59/629704859.db2.gz ZPXDRARLAVXDDP-HOTGVXAUSA-N 2 1 294.439 2.136 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C1CCC2(CC1)OCCO2 ZINC000795900973 629704868 /nfs/dbraw/zinc/70/48/68/629704868.db2.gz ZPXDRARLAVXDDP-HOTGVXAUSA-N 2 1 294.439 2.136 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)CCCn2cc[nH+]c2C)c1 ZINC000237207553 629887697 /nfs/dbraw/zinc/88/76/97/629887697.db2.gz PBEMPHQMSSESES-UHFFFAOYSA-N 2 1 286.379 2.330 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902829874 634845742 /nfs/dbraw/zinc/84/57/42/634845742.db2.gz HEJXLZVRGMHXGH-RFBLXINOSA-N 2 1 266.429 2.121 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902829874 634845745 /nfs/dbraw/zinc/84/57/45/634845745.db2.gz HEJXLZVRGMHXGH-RFBLXINOSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccco2)CCN1c1cc[nH+]cc1 ZINC000895557940 630248398 /nfs/dbraw/zinc/24/83/98/630248398.db2.gz TVHGHMPNRZXUSL-CYBMUJFWSA-N 2 1 257.337 2.385 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccco2)CCN1c1cc[nH+]cc1 ZINC000895557940 630248404 /nfs/dbraw/zinc/24/84/04/630248404.db2.gz TVHGHMPNRZXUSL-CYBMUJFWSA-N 2 1 257.337 2.385 20 0 CEADMP COCCOc1ccc(CNC[C@H]2CCCC[N@@H+](C)C2)o1 ZINC000895586991 630261938 /nfs/dbraw/zinc/26/19/38/630261938.db2.gz DMPLEXPWEGDJSO-CQSZACIVSA-N 2 1 296.411 2.126 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902744853 634806266 /nfs/dbraw/zinc/80/62/66/634806266.db2.gz HNODKXVIWQHLGB-QDMKHBRRSA-N 2 1 254.418 2.123 20 0 CEADMP C1C[C@@H]2[C@H](O1)[C@H]1CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000902747065 634807277 /nfs/dbraw/zinc/80/72/77/634807277.db2.gz BWFJRGYWVUCGPM-UDDQLAMOSA-N 2 1 276.424 2.016 20 0 CEADMP C1C[C@@H]2[C@H](O1)[C@H]1CC[C@H]([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000902747065 634807279 /nfs/dbraw/zinc/80/72/79/634807279.db2.gz BWFJRGYWVUCGPM-UDDQLAMOSA-N 2 1 276.424 2.016 20 0 CEADMP C[N@H+]1CC[C@H]2CN(Cc3nccc4c3CCCC4)CC[C@H]21 ZINC000895844603 630367628 /nfs/dbraw/zinc/36/76/28/630367628.db2.gz SBEGLIBWRYRHIC-MAUKXSAKSA-N 2 1 285.435 2.486 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cn(C)nn1 ZINC000902747274 634807815 /nfs/dbraw/zinc/80/78/15/634807815.db2.gz DMHDWZCGGNWDRC-QLFBSQMISA-N 2 1 293.459 2.224 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000895855173 630377995 /nfs/dbraw/zinc/37/79/95/630377995.db2.gz ORVMYIMTJVRABO-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000895855173 630377997 /nfs/dbraw/zinc/37/79/97/630377997.db2.gz ORVMYIMTJVRABO-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000895855173 630378000 /nfs/dbraw/zinc/37/80/00/630378000.db2.gz ORVMYIMTJVRABO-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP CN(C)c1nc(NC2CCC(C)([NH+]3CCC3)CC2)cc[nH+]1 ZINC000896258558 630510961 /nfs/dbraw/zinc/51/09/61/630510961.db2.gz ZCBNHGWSRORNGV-UHFFFAOYSA-N 2 1 289.427 2.362 20 0 CEADMP CCO[C@H](C[NH2+][C@@H](C)CCc1ccc(O)cc1)C[NH+](C)C ZINC000896880133 630699104 /nfs/dbraw/zinc/69/91/04/630699104.db2.gz OEPXHXLRRDVDTN-WMLDXEAASA-N 2 1 294.439 2.270 20 0 CEADMP Cc1[nH+]ccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1Cl ZINC000897222576 630998782 /nfs/dbraw/zinc/99/87/82/630998782.db2.gz WBBVMOIBHHHWOG-CHWSQXEVSA-N 2 1 295.814 2.079 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904300230 635554315 /nfs/dbraw/zinc/55/43/15/635554315.db2.gz ZNDILHDRHJXEJC-AWEZNQCLSA-N 2 1 260.381 2.053 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904300230 635554316 /nfs/dbraw/zinc/55/43/16/635554316.db2.gz ZNDILHDRHJXEJC-AWEZNQCLSA-N 2 1 260.381 2.053 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@]2(C)CCC[NH2+]C2)[C@@H](C)C1 ZINC000904322614 635569553 /nfs/dbraw/zinc/56/95/53/635569553.db2.gz FMPZYUPZJPGGIE-HRCADAONSA-N 3 1 267.461 2.038 20 0 CEADMP COC(=O)c1ccccc1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000897310705 631079162 /nfs/dbraw/zinc/07/91/62/631079162.db2.gz CPHURYTVAMKFKW-ZFWWWQNUSA-N 2 1 290.407 2.088 20 0 CEADMP COC(=O)c1ccccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000897310704 631079351 /nfs/dbraw/zinc/07/93/51/631079351.db2.gz CPHURYTVAMKFKW-UKRRQHHQSA-N 2 1 290.407 2.088 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)C(C)C)CC1 ZINC000985460146 631088836 /nfs/dbraw/zinc/08/88/36/631088836.db2.gz VKEPDNKQAIXYFZ-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)C(C)C)CC1 ZINC000985460146 631088840 /nfs/dbraw/zinc/08/88/40/631088840.db2.gz VKEPDNKQAIXYFZ-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)C(C)C)CC1 ZINC000985460146 631088846 /nfs/dbraw/zinc/08/88/46/631088846.db2.gz VKEPDNKQAIXYFZ-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000925204668 631173250 /nfs/dbraw/zinc/17/32/50/631173250.db2.gz NFFOTZVQQWQNAU-CVEARBPZSA-N 2 1 267.461 2.325 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925204668 631173251 /nfs/dbraw/zinc/17/32/51/631173251.db2.gz NFFOTZVQQWQNAU-CVEARBPZSA-N 2 1 267.461 2.325 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925204668 631173253 /nfs/dbraw/zinc/17/32/53/631173253.db2.gz NFFOTZVQQWQNAU-CVEARBPZSA-N 2 1 267.461 2.325 20 0 CEADMP CCC[N@@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000985714364 631175609 /nfs/dbraw/zinc/17/56/09/631175609.db2.gz IWSHVFBSXWDKJO-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP COCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156221 631274829 /nfs/dbraw/zinc/27/48/29/631274829.db2.gz GJSCSRKXALBRQF-ZFWWWQNUSA-N 2 1 254.418 2.252 20 0 CEADMP CC[NH+](CC)CCOC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000803854857 631618133 /nfs/dbraw/zinc/61/81/33/631618133.db2.gz BLHMACHKQHHOBR-CQSZACIVSA-N 2 1 270.417 2.136 20 0 CEADMP COc1cccc(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1OC ZINC000897621458 631825426 /nfs/dbraw/zinc/82/54/26/631825426.db2.gz BWKDDWPIOVLRGB-WMLDXEAASA-N 2 1 290.407 2.087 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)C(C)C)C1 ZINC000808731867 632007729 /nfs/dbraw/zinc/00/77/29/632007729.db2.gz CJTVUAIQVGDHML-CQSZACIVSA-N 2 1 254.418 2.265 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)C(C)C)C1 ZINC000808731867 632007738 /nfs/dbraw/zinc/00/77/38/632007738.db2.gz CJTVUAIQVGDHML-CQSZACIVSA-N 2 1 254.418 2.265 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H]1CCC=CO1 ZINC000809738549 632135490 /nfs/dbraw/zinc/13/54/90/632135490.db2.gz YXKZSHDKOVAPDK-SJORKVTESA-N 2 1 295.471 2.027 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000898316429 632170337 /nfs/dbraw/zinc/17/03/37/632170337.db2.gz SCRXJASFXNLERZ-PMPSAXMXSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000898316429 632170340 /nfs/dbraw/zinc/17/03/40/632170340.db2.gz SCRXJASFXNLERZ-PMPSAXMXSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000898316429 632170345 /nfs/dbraw/zinc/17/03/45/632170345.db2.gz SCRXJASFXNLERZ-PMPSAXMXSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841038764 632196595 /nfs/dbraw/zinc/19/65/95/632196595.db2.gz PQTDMUQNHXTDGK-NDBYEHHHSA-N 2 1 274.499 2.329 20 0 CEADMP C(C[N@H+]1CC[C@@H]2CSC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000866703702 632341555 /nfs/dbraw/zinc/34/15/55/632341555.db2.gz KOCONRIQSZDLIB-KGLIPLIRSA-N 2 1 254.443 2.061 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000926948889 632381416 /nfs/dbraw/zinc/38/14/16/632381416.db2.gz KZPXMAOTTZLFQQ-WCFLWFBJSA-N 2 1 292.345 2.028 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H](C)Cc1cccc(F)c1)C[NH+](C)C ZINC000926962799 632390258 /nfs/dbraw/zinc/39/02/58/632390258.db2.gz MYUPPIHQNOLOFY-BBRMVZONSA-N 2 1 282.403 2.313 20 0 CEADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000924651109 632393987 /nfs/dbraw/zinc/39/39/87/632393987.db2.gz UZPFOFACHIBVPO-VNQPRFMTSA-N 2 1 266.429 2.121 20 0 CEADMP CON1CCC([NH2+]C[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000924651545 632394702 /nfs/dbraw/zinc/39/47/02/632394702.db2.gz VASDCFBKPMYWOS-QGZVFWFLSA-N 2 1 297.487 2.358 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC2CCC1CC2 ZINC000924657170 632397241 /nfs/dbraw/zinc/39/72/41/632397241.db2.gz VBXWMCUJYZXHNH-NRXISQOPSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C(C)(C)CO ZINC000924688982 632420431 /nfs/dbraw/zinc/42/04/31/632420431.db2.gz VYVDKYUOQUOVQB-CABCVRRESA-N 2 1 270.461 2.495 20 0 CEADMP COc1ccnc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000924697093 632430039 /nfs/dbraw/zinc/43/00/39/632430039.db2.gz JTBKCHVRAZOWBV-BFHYXJOUSA-N 2 1 275.396 2.368 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC000924711802 632450200 /nfs/dbraw/zinc/45/02/00/632450200.db2.gz DSIBNOSVSBAXLY-LBPRGKRZSA-N 2 1 276.388 2.105 20 0 CEADMP C[N@H+](CCCCNc1nc(N2CCCC2)cc[nH+]1)C1CC1 ZINC000840316806 632822100 /nfs/dbraw/zinc/82/21/00/632822100.db2.gz UQSMDCGCBRMGAJ-UHFFFAOYSA-N 2 1 289.427 2.363 20 0 CEADMP C[N@@H+](CCCCNc1nc(N2CCCC2)cc[nH+]1)C1CC1 ZINC000840316806 632822103 /nfs/dbraw/zinc/82/21/03/632822103.db2.gz UQSMDCGCBRMGAJ-UHFFFAOYSA-N 2 1 289.427 2.363 20 0 CEADMP CC[C@](O)(C[NH2+][C@H](C)C(C)(C)C[NH+](C)C)C(F)(F)F ZINC000905132313 635838905 /nfs/dbraw/zinc/83/89/05/635838905.db2.gz MDPZBZCQRFPCLL-PWSUYJOCSA-N 2 1 284.366 2.256 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+]2C[C@H](O)c2cccc(F)c2)CC1 ZINC000899909656 633089955 /nfs/dbraw/zinc/08/99/55/633089955.db2.gz GTOWVMOYDZQHCG-HNNXBMFYSA-N 2 1 278.371 2.029 20 0 CEADMP C[NH+]1CCC2(CC[N@H+]2C[C@H](O)c2cccc(F)c2)CC1 ZINC000899909656 633089982 /nfs/dbraw/zinc/08/99/82/633089982.db2.gz GTOWVMOYDZQHCG-HNNXBMFYSA-N 2 1 278.371 2.029 20 0 CEADMP C[NH+]1CCC2(CC[N@H+]2C[C@H](O)CC2CCCC2)CC1 ZINC000899910114 633095277 /nfs/dbraw/zinc/09/52/77/633095277.db2.gz JSEDOPPEEPXJCJ-OAHLLOKOSA-N 2 1 266.429 2.098 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000817891900 633754371 /nfs/dbraw/zinc/75/43/71/633754371.db2.gz PKNYLEXTXYHWPS-LZWOXQAQSA-N 2 1 274.408 2.358 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000817898736 633760535 /nfs/dbraw/zinc/76/05/35/633760535.db2.gz AYURVUMMGMZDIA-CABCVRRESA-N 2 1 285.395 2.017 20 0 CEADMP Cc1noc(C)c1CCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000817899800 633760861 /nfs/dbraw/zinc/76/08/61/633760861.db2.gz QCDYKKANYRPWHC-JTQLQIEISA-N 2 1 274.368 2.382 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000817898740 633760867 /nfs/dbraw/zinc/76/08/67/633760867.db2.gz AYURVUMMGMZDIA-HUUCEWRRSA-N 2 1 285.395 2.017 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000817905180 633765399 /nfs/dbraw/zinc/76/53/99/633765399.db2.gz CNVLLJYBTQNSLU-GRYCIOLGSA-N 2 1 289.206 2.496 20 0 CEADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)cnc1Cl ZINC000817933857 633787044 /nfs/dbraw/zinc/78/70/44/633787044.db2.gz VHRLFIJPJNKOES-SKDRFNHKSA-N 2 1 271.767 2.481 20 0 CEADMP [NH3+]CCc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000817947887 633793167 /nfs/dbraw/zinc/79/31/67/633793167.db2.gz DWHPKTCUYWPEKD-QZTJIDSGSA-N 3 1 281.403 2.422 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950600 633796120 /nfs/dbraw/zinc/79/61/20/633796120.db2.gz YRFOUPZGOXZVRO-BEFAXECRSA-N 3 1 297.446 2.236 20 0 CEADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950600 633796124 /nfs/dbraw/zinc/79/61/24/633796124.db2.gz YRFOUPZGOXZVRO-BEFAXECRSA-N 2 1 297.446 2.236 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000042361186 633800340 /nfs/dbraw/zinc/80/03/40/633800340.db2.gz LXSRVQQXDLSMAV-INIZCTEOSA-N 2 1 280.387 2.323 20 0 CEADMP C[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000900696015 633800837 /nfs/dbraw/zinc/80/08/37/633800837.db2.gz VUDXXIVLUDRKMN-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(N2CCCOC2=O)cc1 ZINC000817959938 633802965 /nfs/dbraw/zinc/80/29/65/633802965.db2.gz IAEKEQBTPLQMGO-GFCCVEGCSA-N 2 1 291.395 2.421 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817980184 633823538 /nfs/dbraw/zinc/82/35/38/633823538.db2.gz SFWMBMMOUHMLOC-JSGCOSHPSA-N 2 1 291.395 2.421 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)c1ccccc1C ZINC000818965485 634019485 /nfs/dbraw/zinc/01/94/85/634019485.db2.gz IMQSJGANXJVRHO-GUYCJALGSA-N 2 1 287.407 2.459 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)c1ccccc1F ZINC000818966887 634019923 /nfs/dbraw/zinc/01/99/23/634019923.db2.gz VKMOMKXXUMNQFF-LRDDRELGSA-N 2 1 291.370 2.290 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000818988036 634030961 /nfs/dbraw/zinc/03/09/61/634030961.db2.gz CPHANFLWBCASKC-AWEZNQCLSA-N 2 1 297.761 2.307 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@]1(C)CC1(Cl)Cl)C1CC1 ZINC000819350897 634149602 /nfs/dbraw/zinc/14/96/02/634149602.db2.gz TXOHCOPCALPSQL-VXGBXAGGSA-N 2 1 295.254 2.005 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@]1(C)CC1(Cl)Cl)C1CC1 ZINC000819350897 634149605 /nfs/dbraw/zinc/14/96/05/634149605.db2.gz TXOHCOPCALPSQL-VXGBXAGGSA-N 2 1 295.254 2.005 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000819367475 634158247 /nfs/dbraw/zinc/15/82/47/634158247.db2.gz ZWFJXPLUQPTDKH-BLLLJJGKSA-N 2 1 298.377 2.320 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902792827 634835724 /nfs/dbraw/zinc/83/57/24/634835724.db2.gz DNLVOXLRQMLXCK-HZPDHXFCSA-N 2 1 279.472 2.182 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000903039369 634941574 /nfs/dbraw/zinc/94/15/74/634941574.db2.gz RSBXYRXCBHEBAD-SMLCLMEVSA-N 2 1 280.456 2.367 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903057503 634949020 /nfs/dbraw/zinc/94/90/20/634949020.db2.gz IBIQDVBYKBHSLD-CVGRLMLNSA-N 2 1 277.456 2.218 20 0 CEADMP CC[NH+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903057503 634949022 /nfs/dbraw/zinc/94/90/22/634949022.db2.gz IBIQDVBYKBHSLD-CVGRLMLNSA-N 2 1 277.456 2.218 20 0 CEADMP CC[NH+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903057503 634949024 /nfs/dbraw/zinc/94/90/24/634949024.db2.gz IBIQDVBYKBHSLD-CVGRLMLNSA-N 2 1 277.456 2.218 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903076404 634957853 /nfs/dbraw/zinc/95/78/53/634957853.db2.gz PHUHQAQRIJMQSI-UNPWZGGWSA-N 2 1 291.483 2.466 20 0 CEADMP CCC[NH+]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903076404 634957855 /nfs/dbraw/zinc/95/78/55/634957855.db2.gz PHUHQAQRIJMQSI-UNPWZGGWSA-N 2 1 291.483 2.466 20 0 CEADMP CCC[NH+]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903076404 634957858 /nfs/dbraw/zinc/95/78/58/634957858.db2.gz PHUHQAQRIJMQSI-UNPWZGGWSA-N 2 1 291.483 2.466 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903076404 634957859 /nfs/dbraw/zinc/95/78/59/634957859.db2.gz PHUHQAQRIJMQSI-UNPWZGGWSA-N 3 1 291.483 2.466 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903076404 634957863 /nfs/dbraw/zinc/95/78/63/634957863.db2.gz PHUHQAQRIJMQSI-UNPWZGGWSA-N 3 1 291.483 2.466 20 0 CEADMP CCC[NH+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903076404 634957864 /nfs/dbraw/zinc/95/78/64/634957864.db2.gz PHUHQAQRIJMQSI-UNPWZGGWSA-N 3 1 291.483 2.466 20 0 CEADMP CCC[NH+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903076404 634957866 /nfs/dbraw/zinc/95/78/66/634957866.db2.gz PHUHQAQRIJMQSI-UNPWZGGWSA-N 3 1 291.483 2.466 20 0 CEADMP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCO1 ZINC000903111152 634974536 /nfs/dbraw/zinc/97/45/36/634974536.db2.gz UKBAAFUXAITCKG-YPAMNDHTSA-N 2 1 264.413 2.303 20 0 CEADMP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCOC1 ZINC000903097122 634977409 /nfs/dbraw/zinc/97/74/09/634977409.db2.gz OXLVKWKUDKDJGH-WDVRLDOZSA-N 2 1 264.413 2.160 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCCOCC1)C2 ZINC000903132203 634985267 /nfs/dbraw/zinc/98/52/67/634985267.db2.gz NSEPYAZKASAKNQ-WPXLMEDKSA-N 2 1 264.413 2.303 20 0 CEADMP C[NH+](C)C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903154138 634991498 /nfs/dbraw/zinc/99/14/98/634991498.db2.gz QMEQIMPKUJPRGX-VHRNVKJDSA-N 2 1 277.456 2.218 20 0 CEADMP OC[C@@H](CC1CCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903164308 634995000 /nfs/dbraw/zinc/99/50/00/634995000.db2.gz KYTNBSRLQLTLBH-MDKVJWTPSA-N 2 1 278.440 2.285 20 0 CEADMP CO[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCSC1 ZINC000903224117 635024435 /nfs/dbraw/zinc/02/44/35/635024435.db2.gz QBGLUDGCJAIJEH-YPAMNDHTSA-N 2 1 296.480 2.256 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)[C@@H]2CCC[C@H]21 ZINC000903266445 635038551 /nfs/dbraw/zinc/03/85/51/635038551.db2.gz ZIRIKMCODUTZFC-VIQHNZTISA-N 2 1 280.456 2.390 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000903326043 635076018 /nfs/dbraw/zinc/07/60/18/635076018.db2.gz MZLWOJLNSIFZON-AWUBJEIQSA-N 2 1 278.440 2.264 20 0 CEADMP c1ccc([C@]23C[C@H]2C[N@H+](CC2CC[NH2+]CC2)C3)cc1 ZINC000903416510 635106950 /nfs/dbraw/zinc/10/69/50/635106950.db2.gz QVOCDIHMJKXRFB-DLBZAZTESA-N 2 1 256.393 2.260 20 0 CEADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903432626 635114809 /nfs/dbraw/zinc/11/48/09/635114809.db2.gz HKXBVGLAECRWTJ-JJXSEGSLSA-N 2 1 295.471 2.131 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)C1 ZINC000903435129 635116816 /nfs/dbraw/zinc/11/68/16/635116816.db2.gz PHVMCVRFPMCEIO-MAZHCROVSA-N 2 1 278.371 2.326 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000903439115 635117812 /nfs/dbraw/zinc/11/78/12/635117812.db2.gz DPPYATSVJANBPK-RQJABVFESA-N 2 1 254.443 2.202 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000903439115 635117814 /nfs/dbraw/zinc/11/78/14/635117814.db2.gz DPPYATSVJANBPK-RQJABVFESA-N 2 1 254.443 2.202 20 0 CEADMP CN(c1ccccc1)[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903464717 635126438 /nfs/dbraw/zinc/12/64/38/635126438.db2.gz XHXNBTUPXWHXBV-VYDXJSESSA-N 2 1 273.424 2.325 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000903463432 635126903 /nfs/dbraw/zinc/12/69/03/635126903.db2.gz AYPDEGDTSWCKFH-LVQVYYBASA-N 2 1 266.429 2.123 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2CN2CCCCC2)C1 ZINC000903442082 635128106 /nfs/dbraw/zinc/12/81/06/635128106.db2.gz ISNMLSQHHPEZJN-XHSDSOJGSA-N 2 1 265.445 2.064 20 0 CEADMP Cc1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)c(C)nn1 ZINC000903451558 635136014 /nfs/dbraw/zinc/13/60/14/635136014.db2.gz BDFZXWJWCPQZDD-UHFFFAOYSA-N 2 1 276.428 2.434 20 0 CEADMP COC[C@H](C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C(C)C ZINC000903453594 635137003 /nfs/dbraw/zinc/13/70/03/635137003.db2.gz CYSXKBAEBSNYNA-PMPSAXMXSA-N 2 1 268.445 2.369 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(C)nn1 ZINC000903453529 635137104 /nfs/dbraw/zinc/13/71/04/635137104.db2.gz AMQXNQGRTYLONS-GDBMZVCRSA-N 2 1 274.412 2.057 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(C)nn1 ZINC000903453529 635137106 /nfs/dbraw/zinc/13/71/06/635137106.db2.gz AMQXNQGRTYLONS-GDBMZVCRSA-N 2 1 274.412 2.057 20 0 CEADMP COc1cccc([C@H]2C[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)CCO2)c1 ZINC000903455090 635138142 /nfs/dbraw/zinc/13/81/42/635138142.db2.gz PTNQFICIXODZGN-UKPHBRMFSA-N 2 1 290.407 2.196 20 0 CEADMP COc1ccc([C@H]2C[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)CCO2)cc1 ZINC000903475971 635145266 /nfs/dbraw/zinc/14/52/66/635145266.db2.gz JIKHIPSFKMIKRO-UKPHBRMFSA-N 2 1 290.407 2.196 20 0 CEADMP O=C(CC[NH2+][C@H]1CC[NH2+]C12CCCC2)Nc1ccccc1 ZINC000903483026 635150637 /nfs/dbraw/zinc/15/06/37/635150637.db2.gz BGCZDWDVIWKWSE-HNNXBMFYSA-N 2 1 287.407 2.280 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2nc3ccccc3n2C)C[C@H]1CC[NH3+] ZINC000903499175 635154462 /nfs/dbraw/zinc/15/44/62/635154462.db2.gz IJERINNUEDKRAT-ZIAGYGMSSA-N 2 1 286.423 2.033 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1CC[NH3+] ZINC000903497016 635157104 /nfs/dbraw/zinc/15/71/04/635157104.db2.gz NHIPLDZHCGCKBA-CHWSQXEVSA-N 2 1 266.360 2.121 20 0 CEADMP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496712 635157960 /nfs/dbraw/zinc/15/79/60/635157960.db2.gz ZSJSKIGQZWSUCX-BZUAXINKSA-N 2 1 297.487 2.234 20 0 CEADMP C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)C1CCCC1 ZINC000903509083 635158734 /nfs/dbraw/zinc/15/87/34/635158734.db2.gz ASRJXKACWQUTCE-HDICACEKSA-N 2 1 291.483 2.467 20 0 CEADMP C(C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)C1CCCC1 ZINC000903509083 635158737 /nfs/dbraw/zinc/15/87/37/635158737.db2.gz ASRJXKACWQUTCE-HDICACEKSA-N 2 1 291.483 2.467 20 0 CEADMP C(C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)C1CCCC1 ZINC000903509083 635158744 /nfs/dbraw/zinc/15/87/44/635158744.db2.gz ASRJXKACWQUTCE-HDICACEKSA-N 2 1 291.483 2.467 20 0 CEADMP CO[C@H](C[N@@H+]1C[C@@H](N)C(C)(C)C1)C1CCCCC1 ZINC000903559884 635163628 /nfs/dbraw/zinc/16/36/28/635163628.db2.gz LHLLQMDZOCOWOL-ZIAGYGMSSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H](N)C(C)(C)C1)C1CCCCC1 ZINC000903559884 635163631 /nfs/dbraw/zinc/16/36/31/635163631.db2.gz LHLLQMDZOCOWOL-ZIAGYGMSSA-N 2 1 254.418 2.251 20 0 CEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000903566066 635164704 /nfs/dbraw/zinc/16/47/04/635164704.db2.gz YXMVABZLTXQIBA-OLZOCXBDSA-N 2 1 291.464 2.421 20 0 CEADMP CC(C)c1nnc2n1CC[N@@H+](CCC1CC[NH2+]CC1)[C@@H]2C ZINC000903577917 635169471 /nfs/dbraw/zinc/16/94/71/635169471.db2.gz YKHAOFVPIPYKCG-CYBMUJFWSA-N 2 1 291.443 2.168 20 0 CEADMP CC(C)c1nnc2n1CC[N@H+](CCC1CC[NH2+]CC1)[C@@H]2C ZINC000903577917 635169476 /nfs/dbraw/zinc/16/94/76/635169476.db2.gz YKHAOFVPIPYKCG-CYBMUJFWSA-N 2 1 291.443 2.168 20 0 CEADMP CC[N@@H+](CC(C)C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722337 635235726 /nfs/dbraw/zinc/23/57/26/635235726.db2.gz KVBOPMUMERTMLX-AWEZNQCLSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@@H+](CCc1ccc(F)cc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723010 635236364 /nfs/dbraw/zinc/23/63/64/635236364.db2.gz RYRLPOGTHLXMDH-DLBZAZTESA-N 2 1 292.398 2.069 20 0 CEADMP C[C@H]([N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C(C)(C)C ZINC000903723627 635237220 /nfs/dbraw/zinc/23/72/20/635237220.db2.gz XCAKDGRORCJVKL-YDHLFZDLSA-N 2 1 254.418 2.121 20 0 CEADMP COCC[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CCCC1 ZINC000903725508 635238437 /nfs/dbraw/zinc/23/84/37/635238437.db2.gz BTRSWEPJRNBDSL-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H]1C1CCC1 ZINC000903725511 635238501 /nfs/dbraw/zinc/23/85/01/635238501.db2.gz BTXDSESWFIBSED-OWCLPIDISA-N 2 1 264.413 2.020 20 0 CEADMP CCCC(=O)NC[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903726552 635239707 /nfs/dbraw/zinc/23/97/07/635239707.db2.gz MUBGMAAATVGYHB-JKSUJKDBSA-N 2 1 295.471 2.004 20 0 CEADMP CCCO[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903728969 635240778 /nfs/dbraw/zinc/24/07/78/635240778.db2.gz IMFZFMPJJFPHKL-BRWVUGGUSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)c1ccccc1 ZINC000903729859 635241702 /nfs/dbraw/zinc/24/17/02/635241702.db2.gz RPPMQJLMZBMYBQ-NJAFHUGGSA-N 2 1 288.435 2.491 20 0 CEADMP CSCC[C@@H](C)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903731766 635242009 /nfs/dbraw/zinc/24/20/09/635242009.db2.gz CNDPYYXZBHUNMS-ZIAGYGMSSA-N 2 1 286.485 2.219 20 0 CEADMP CCn1nc(C)c(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000823654162 635243905 /nfs/dbraw/zinc/24/39/05/635243905.db2.gz QRAGKYWQMOZWOE-CQSZACIVSA-N 2 1 293.459 2.208 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903712981 635244525 /nfs/dbraw/zinc/24/45/25/635244525.db2.gz CSCFFZFMAORGOP-TUAOUCFPSA-N 2 1 280.334 2.157 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903712981 635244529 /nfs/dbraw/zinc/24/45/29/635244529.db2.gz CSCFFZFMAORGOP-TUAOUCFPSA-N 2 1 280.334 2.157 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903751726 635249620 /nfs/dbraw/zinc/24/96/20/635249620.db2.gz IMMOIJDNLQBVPC-SYLRKERUSA-N 2 1 294.361 2.463 20 0 CEADMP CC1(C)CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903734117 635250000 /nfs/dbraw/zinc/25/00/00/635250000.db2.gz OQCIXDKOBOZSDC-GDBMZVCRSA-N 2 1 266.429 2.267 20 0 CEADMP COc1ccc2c(c1)CC[N@@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903765465 635258753 /nfs/dbraw/zinc/25/87/53/635258753.db2.gz HTCJXSPCYLMVQP-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903765465 635258756 /nfs/dbraw/zinc/25/87/56/635258756.db2.gz HTCJXSPCYLMVQP-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000903769437 635259758 /nfs/dbraw/zinc/25/97/58/635259758.db2.gz GEGYFANQFPIIMS-LUKYLMHMSA-N 2 1 278.440 2.410 20 0 CEADMP CC[C@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCN1CC(F)F ZINC000903756308 635260520 /nfs/dbraw/zinc/26/05/20/635260520.db2.gz PYONLOHDCJJZRN-KBPBESRZSA-N 2 1 289.414 2.037 20 0 CEADMP CC[C@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCN1CC(F)F ZINC000903756308 635260524 /nfs/dbraw/zinc/26/05/24/635260524.db2.gz PYONLOHDCJJZRN-KBPBESRZSA-N 2 1 289.414 2.037 20 0 CEADMP Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903758153 635261762 /nfs/dbraw/zinc/26/17/62/635261762.db2.gz IVSINFZLKQJQFR-GDBMZVCRSA-N 2 1 276.428 2.337 20 0 CEADMP Cn1nccc1[C@H]1CCCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903758153 635261763 /nfs/dbraw/zinc/26/17/63/635261763.db2.gz IVSINFZLKQJQFR-GDBMZVCRSA-N 2 1 276.428 2.337 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000903778240 635266160 /nfs/dbraw/zinc/26/61/60/635266160.db2.gz LNDLSBKLUQBPME-BFHYXJOUSA-N 2 1 254.443 2.061 20 0 CEADMP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903816345 635273893 /nfs/dbraw/zinc/27/38/93/635273893.db2.gz YOFUVJOVCHIXQL-HUUCEWRRSA-N 2 1 295.471 2.131 20 0 CEADMP CC(C)[C@@H](C)NC(=O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903816345 635273899 /nfs/dbraw/zinc/27/38/99/635273899.db2.gz YOFUVJOVCHIXQL-HUUCEWRRSA-N 2 1 295.471 2.131 20 0 CEADMP C[N@H+](Cc1ccc2cc[nH]c2c1)C1(C[NH3+])CCOCC1 ZINC000903809686 635283016 /nfs/dbraw/zinc/28/30/16/635283016.db2.gz IXGWBYFZCYLBDT-UHFFFAOYSA-N 2 1 273.380 2.108 20 0 CEADMP C[N@@H+](Cc1ccc2cc[nH]c2c1)C1(C[NH3+])CCOCC1 ZINC000903809686 635283018 /nfs/dbraw/zinc/28/30/18/635283018.db2.gz IXGWBYFZCYLBDT-UHFFFAOYSA-N 2 1 273.380 2.108 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2C[C@@H]2CCCC[NH2+]C2)CCC1 ZINC000903810358 635285187 /nfs/dbraw/zinc/28/51/87/635285187.db2.gz BKEWTYLTVQHRHC-HZPDHXFCSA-N 3 1 279.472 2.360 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2C[C@@H]2CCCC[NH2+]C2)CCC1 ZINC000903810358 635285189 /nfs/dbraw/zinc/28/51/89/635285189.db2.gz BKEWTYLTVQHRHC-HZPDHXFCSA-N 3 1 279.472 2.360 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCOC2CCOCC2)CCC1 ZINC000903811584 635287017 /nfs/dbraw/zinc/28/70/17/635287017.db2.gz NLPSPXCGKGRXRZ-INIZCTEOSA-N 2 1 296.455 2.166 20 0 CEADMP Cc1noc(C[C@H]2CCC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)n1 ZINC000903825341 635293167 /nfs/dbraw/zinc/29/31/67/635293167.db2.gz ZIIXKVDHBMAHIR-HUUCEWRRSA-N 2 1 292.427 2.022 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(O)ccc1Cl)C2 ZINC000903842997 635302363 /nfs/dbraw/zinc/30/23/63/635302363.db2.gz ZZQNYPCNRBRSOZ-WCQGTBRESA-N 2 1 266.772 2.357 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(O)ccc1Cl)C2 ZINC000903842997 635302367 /nfs/dbraw/zinc/30/23/67/635302367.db2.gz ZZQNYPCNRBRSOZ-WCQGTBRESA-N 2 1 266.772 2.357 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+])c1ccccc1 ZINC000903859013 635310817 /nfs/dbraw/zinc/31/08/17/635310817.db2.gz KXLJXTHPRZILBQ-OAGGEKHMSA-N 2 1 260.381 2.187 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]2CC[C@]21C[NH3+])c1ccccc1 ZINC000903859013 635310823 /nfs/dbraw/zinc/31/08/23/635310823.db2.gz KXLJXTHPRZILBQ-OAGGEKHMSA-N 2 1 260.381 2.187 20 0 CEADMP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CCC[C@]34CC[NH2+]C4)C[C@@H]21 ZINC000903869597 635318691 /nfs/dbraw/zinc/31/86/91/635318691.db2.gz IOAQWWXICJAASU-FVCCEPFGSA-N 2 1 256.340 2.106 20 0 CEADMP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CCC[C@]34CC[NH2+]C4)C[C@@H]21 ZINC000903869597 635318697 /nfs/dbraw/zinc/31/86/97/635318697.db2.gz IOAQWWXICJAASU-FVCCEPFGSA-N 2 1 256.340 2.106 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000903875111 635322076 /nfs/dbraw/zinc/32/20/76/635322076.db2.gz MVZGAXBXYZXYFA-ZJIFWQFVSA-N 2 1 266.429 2.252 20 0 CEADMP C[C@H]([N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1)C(C)(C)C ZINC000903883932 635326549 /nfs/dbraw/zinc/32/65/49/635326549.db2.gz MKVPKWWQCQWDBR-QWHCGFSZSA-N 2 1 279.432 2.069 20 0 CEADMP CC[C@H](C)C[N@@H+](CC)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903900061 635334964 /nfs/dbraw/zinc/33/49/64/635334964.db2.gz ZKWMMSMXWDBKEU-UONOGXRCSA-N 2 1 279.432 2.071 20 0 CEADMP CN1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc21 ZINC000903903485 635339202 /nfs/dbraw/zinc/33/92/02/635339202.db2.gz LIOBOGXNVDSKIF-ZXFUBFMLSA-N 2 1 285.435 2.469 20 0 CEADMP C(O[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)C1CC1 ZINC000903909957 635344034 /nfs/dbraw/zinc/34/40/34/635344034.db2.gz YLDDXERCBNZEKO-NPYXIHBLSA-N 2 1 278.440 2.408 20 0 CEADMP [NH3+][C@H](C[NH2+]C[C@@H](O)c1ccc2ccccc2c1)CC(F)F ZINC000903919508 635349092 /nfs/dbraw/zinc/34/90/92/635349092.db2.gz DDZGNLNAGIKROE-LSDHHAIUSA-N 2 1 294.345 2.445 20 0 CEADMP C[C@@H](COc1cccc(F)c1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903922324 635350550 /nfs/dbraw/zinc/35/05/50/635350550.db2.gz VHUOOSFOODBZTG-GXSJLCMTSA-N 2 1 276.302 2.165 20 0 CEADMP O[C@H]1C[C@H](c2ccccc2)[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903930540 635356467 /nfs/dbraw/zinc/35/64/67/635356467.db2.gz ZRJHORIPYSBIBA-HMGCCCKFSA-N 2 1 286.419 2.325 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1cc(N)cc[nH+]1 ZINC000903949761 635381964 /nfs/dbraw/zinc/38/19/64/635381964.db2.gz DPFLIDUDZNMSOV-RDTXWAMCSA-N 2 1 296.418 2.274 20 0 CEADMP CC1CCC([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903972917 635392010 /nfs/dbraw/zinc/39/20/10/635392010.db2.gz MHLMAHVLQTWXAX-NRXISQOPSA-N 2 1 266.429 2.313 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000903978983 635395977 /nfs/dbraw/zinc/39/59/77/635395977.db2.gz QUSMMLZJVXCVER-VDHUWJSZSA-N 3 1 287.451 2.315 20 0 CEADMP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]([NH3+])CC(F)F)CC1 ZINC000903986187 635404983 /nfs/dbraw/zinc/40/49/83/635404983.db2.gz HJTIMQFQOPNIMZ-DNOWBOINSA-N 3 1 289.414 2.356 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000904298189 635552686 /nfs/dbraw/zinc/55/26/86/635552686.db2.gz UHMNKYNYUSEIEZ-IRXDYDNUSA-N 3 1 273.424 2.109 20 0 CEADMP [NH3+]Cc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000904298189 635552692 /nfs/dbraw/zinc/55/26/92/635552692.db2.gz UHMNKYNYUSEIEZ-IRXDYDNUSA-N 2 1 273.424 2.109 20 0 CEADMP CCCC(=O)NC[C@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904316497 635563066 /nfs/dbraw/zinc/56/30/66/635563066.db2.gz NHQCJUNPTWZELU-NVXWUHKLSA-N 2 1 295.471 2.004 20 0 CEADMP C[N@H+](Cc1nc2c(s1)CCCC2)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321527 635567242 /nfs/dbraw/zinc/56/72/42/635567242.db2.gz ZJTCXOKYFNZRIC-PHIMTYICSA-N 2 1 265.426 2.191 20 0 CEADMP C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)[C@@H](CCO)c1ccccc1 ZINC000904322430 635568883 /nfs/dbraw/zinc/56/88/83/635568883.db2.gz YBPJZRMRLGEXMC-IRXDYDNUSA-N 2 1 276.424 2.432 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](c2ccccc2)CO1 ZINC000904325182 635570878 /nfs/dbraw/zinc/57/08/78/635570878.db2.gz RYFGZIYFDBXTMV-UGQVUOCMSA-N 2 1 260.381 2.186 20 0 CEADMP COCCOC[C@@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904325437 635571893 /nfs/dbraw/zinc/57/18/93/635571893.db2.gz ZJMZKNWQOHFFBE-CABCVRRESA-N 2 1 286.460 2.125 20 0 CEADMP COCCOC[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904325437 635571896 /nfs/dbraw/zinc/57/18/96/635571896.db2.gz ZJMZKNWQOHFFBE-CABCVRRESA-N 2 1 286.460 2.125 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3c(F)cc(F)cc3C2)C1 ZINC000904326526 635572369 /nfs/dbraw/zinc/57/23/69/635572369.db2.gz LUOMEDGPLWZFOM-WVSHTKLVSA-N 2 1 252.308 2.060 20 0 CEADMP CC[C@]1(CO)CCC[N@H+]1C[C@H]([NH3+])CCC(C)(C)C ZINC000904340119 635578453 /nfs/dbraw/zinc/57/84/53/635578453.db2.gz DAAYXIWLHKIIBS-UKRRQHHQSA-N 2 1 256.434 2.377 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)C1 ZINC000904342598 635580401 /nfs/dbraw/zinc/58/04/01/635580401.db2.gz LHQBVWGWBVGHPE-SDDRHHMPSA-N 2 1 266.335 2.491 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H](C[NH3+])CC(C)C)cc1C ZINC000904353831 635585175 /nfs/dbraw/zinc/58/51/75/635585175.db2.gz SFOCZFWDIFFQHP-AWEZNQCLSA-N 2 1 278.396 2.245 20 0 CEADMP CN(C)[C@H](C[NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000904369107 635592759 /nfs/dbraw/zinc/59/27/59/635592759.db2.gz YCFSKWAMFYAJFM-IAGOWNOFSA-N 2 1 275.440 2.269 20 0 CEADMP C[C@]1(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000904377511 635602979 /nfs/dbraw/zinc/60/29/79/635602979.db2.gz RLYHGTGFWORUNV-SJORKVTESA-N 2 1 279.472 2.088 20 0 CEADMP CO[C@@]1(C(F)(F)F)CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904385722 635608302 /nfs/dbraw/zinc/60/83/02/635608302.db2.gz CRYOKMNMFGRXKW-NEPJUHHUSA-N 2 1 280.334 2.029 20 0 CEADMP CO[C@@]1(C(F)(F)F)CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904385722 635608305 /nfs/dbraw/zinc/60/83/05/635608305.db2.gz CRYOKMNMFGRXKW-NEPJUHHUSA-N 2 1 280.334 2.029 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904385529 635608900 /nfs/dbraw/zinc/60/89/00/635608900.db2.gz ZXOZATAMZLWOBA-JKSUJKDBSA-N 3 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904385529 635608902 /nfs/dbraw/zinc/60/89/02/635608902.db2.gz ZXOZATAMZLWOBA-JKSUJKDBSA-N 3 1 267.461 2.073 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc(O)c2Br)C1 ZINC000904404720 635611090 /nfs/dbraw/zinc/61/10/90/635611090.db2.gz DNOJQPDNCFLLCW-JTQLQIEISA-N 2 1 299.212 2.325 20 0 CEADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405613 635612138 /nfs/dbraw/zinc/61/21/38/635612138.db2.gz KYAJTKXDSFHELG-NSHDSACASA-N 2 1 292.814 2.397 20 0 CEADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H](CC[NH3+])C3)s2)cn1 ZINC000904406683 635613581 /nfs/dbraw/zinc/61/35/81/635613581.db2.gz YGZPPDKWZPAYMP-LBPRGKRZSA-N 2 1 290.436 2.319 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nccn2-c2ccccc2)CC[C@H]1C[NH3+] ZINC000904410190 635615495 /nfs/dbraw/zinc/61/54/95/635615495.db2.gz LYIJGQCZHTUHAX-GJZGRUSLSA-N 2 1 284.407 2.289 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000904410251 635616307 /nfs/dbraw/zinc/61/63/07/635616307.db2.gz DJTANPLECOVFDT-ZIAGYGMSSA-N 2 1 292.423 2.429 20 0 CEADMP Cc1cccn2c(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cnc12 ZINC000904411606 635619530 /nfs/dbraw/zinc/61/95/30/635619530.db2.gz OCDZEYNYJCQFPD-KBPBESRZSA-N 2 1 272.396 2.059 20 0 CEADMP c1cc(CCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc2c1OCC2 ZINC000904420216 635631337 /nfs/dbraw/zinc/63/13/37/635631337.db2.gz GXZUFTSTLPCJFY-DLBZAZTESA-N 2 1 286.419 2.095 20 0 CEADMP CC[C@](O)(C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)C(F)(F)F ZINC000905284245 636208853 /nfs/dbraw/zinc/20/88/53/636208853.db2.gz ACZPHVUHMOBPGK-NEPJUHHUSA-N 2 1 282.350 2.011 20 0 CEADMP O[C@@]1(C[NH2+]C[C@H]2C=CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905409732 636261325 /nfs/dbraw/zinc/26/13/25/636261325.db2.gz KPCOCSNBLSYJAT-FUHWJXTLSA-N 2 1 286.419 2.179 20 0 CEADMP O[C@@]1(C[NH2+]C[C@H]2C=CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905409732 636261328 /nfs/dbraw/zinc/26/13/28/636261328.db2.gz KPCOCSNBLSYJAT-FUHWJXTLSA-N 2 1 286.419 2.179 20 0 CEADMP CCSc1ccc(CNC[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000905409720 636261750 /nfs/dbraw/zinc/26/17/50/636261750.db2.gz KKCPPJOHADQQKP-OAHLLOKOSA-N 2 1 294.464 2.343 20 0 CEADMP CCSc1ccc(C[NH2+]C[C@@H](O)CN(C)C2CC2)cc1 ZINC000905409720 636261753 /nfs/dbraw/zinc/26/17/53/636261753.db2.gz KKCPPJOHADQQKP-OAHLLOKOSA-N 2 1 294.464 2.343 20 0 CEADMP CC(C)c1[nH+]ccn1CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000828966078 636739440 /nfs/dbraw/zinc/73/94/40/636739440.db2.gz WFWPPSPRSMTZLN-BBRMVZONSA-N 2 1 292.427 2.030 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000906511220 636761592 /nfs/dbraw/zinc/76/15/92/636761592.db2.gz ZENCQVSAOJPSAP-UHFFFAOYSA-N 2 1 276.771 2.105 20 0 CEADMP COc1c(Br)cccc1C[NH2+]C1CC([NH3+])C1 ZINC000906511531 636761791 /nfs/dbraw/zinc/76/17/91/636761791.db2.gz ZPIRWVPWQSYWGI-UHFFFAOYSA-N 2 1 285.185 2.037 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000829226862 636806685 /nfs/dbraw/zinc/80/66/85/636806685.db2.gz XCIOMNPGOXBDRJ-UKRRQHHQSA-N 2 1 295.471 2.131 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1NCCCCC[NH+]1CCCCC1 ZINC000925484977 636845000 /nfs/dbraw/zinc/84/50/00/636845000.db2.gz AAVKSPUFKCSYRY-HNNXBMFYSA-N 2 1 267.461 2.373 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000906794580 636855228 /nfs/dbraw/zinc/85/52/28/636855228.db2.gz YSHRMXBSLRVKHU-HUUCEWRRSA-N 2 1 297.487 2.201 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000908259103 637276551 /nfs/dbraw/zinc/27/65/51/637276551.db2.gz SNEMGPDPWHOGAP-OAGGEKHMSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908259103 637276554 /nfs/dbraw/zinc/27/65/54/637276554.db2.gz SNEMGPDPWHOGAP-OAGGEKHMSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908259103 637276556 /nfs/dbraw/zinc/27/65/56/637276556.db2.gz SNEMGPDPWHOGAP-OAGGEKHMSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000831678107 637407165 /nfs/dbraw/zinc/40/71/65/637407165.db2.gz TXGFUMIXEPUEMB-QGZVFWFLSA-N 2 1 295.471 2.101 20 0 CEADMP C[C@H]1CCC[N@H+]1CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000831970340 637473730 /nfs/dbraw/zinc/47/37/30/637473730.db2.gz DNTPFSSUCPUZFJ-GOEBONIOSA-N 2 1 289.423 2.067 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000911864663 638436347 /nfs/dbraw/zinc/43/63/47/638436347.db2.gz MMHRRTUISQBVTH-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000911864663 638436351 /nfs/dbraw/zinc/43/63/51/638436351.db2.gz MMHRRTUISQBVTH-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000911864663 638436353 /nfs/dbraw/zinc/43/63/53/638436353.db2.gz MMHRRTUISQBVTH-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000912804810 639021372 /nfs/dbraw/zinc/02/13/72/639021372.db2.gz FCPAYQDBKZGWOY-HOCLYGCPSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@@H](C(=O)OC[C@@H]1CCCC[N@@H+]1C(C)C)[NH+](C)C ZINC000837681164 639340462 /nfs/dbraw/zinc/34/04/62/639340462.db2.gz MMIPKUZDZGDRPR-GJZGRUSLSA-N 2 1 284.444 2.379 20 0 CEADMP CC(C)[C@@H](C(=O)OC[C@@H]1CCCC[N@H+]1C(C)C)[NH+](C)C ZINC000837681164 639340465 /nfs/dbraw/zinc/34/04/65/639340465.db2.gz MMIPKUZDZGDRPR-GJZGRUSLSA-N 2 1 284.444 2.379 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841031452 639623838 /nfs/dbraw/zinc/62/38/38/639623838.db2.gz SFIFMRJDNRORMA-AWEZNQCLSA-N 2 1 262.397 2.473 20 0 CEADMP C[C@H]([NH2+]Cc1cccnc1Cl)[C@H]1CCC[NH2+]C1 ZINC000841033509 639625572 /nfs/dbraw/zinc/62/55/72/639625572.db2.gz PQYZNONOZFOFCB-QWRGUYRKSA-N 2 1 253.777 2.213 20 0 CEADMP C[C@@]1(C[NH+]2CCN(c3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC000062861710 639789513 /nfs/dbraw/zinc/78/95/13/639789513.db2.gz HQCZASDVFBHHGJ-QGZVFWFLSA-N 2 1 291.414 2.337 20 0 CEADMP CCc1cc(N[C@H]2CC[NH2+]C3(CCC3)C2)nc(C)[nH+]1 ZINC000088760561 640009544 /nfs/dbraw/zinc/00/95/44/640009544.db2.gz XQUGSCYWJOEVSD-ZDUSSCGKSA-N 2 1 260.385 2.434 20 0 CEADMP COC[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(C)C ZINC000929695987 640021701 /nfs/dbraw/zinc/02/17/01/640021701.db2.gz JFYJVCGCXLCUTH-HZPDHXFCSA-N 2 1 268.445 2.323 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCCN(CC(F)F)CC1 ZINC000842478902 640074023 /nfs/dbraw/zinc/07/40/23/640074023.db2.gz QUEMBAGLMSXAMH-UHFFFAOYSA-N 2 1 277.403 2.168 20 0 CEADMP C[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842678000 640146556 /nfs/dbraw/zinc/14/65/56/640146556.db2.gz QDYIHHLZTWCBIB-ZWKOTPCHSA-N 2 1 299.462 2.477 20 0 CEADMP C[N@H+]1CC[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842678000 640146561 /nfs/dbraw/zinc/14/65/61/640146561.db2.gz QDYIHHLZTWCBIB-ZWKOTPCHSA-N 2 1 299.462 2.477 20 0 CEADMP C[NH+]1CC[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842678000 640146564 /nfs/dbraw/zinc/14/65/64/640146564.db2.gz QDYIHHLZTWCBIB-ZWKOTPCHSA-N 2 1 299.462 2.477 20 0 CEADMP C[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842678000 640146566 /nfs/dbraw/zinc/14/65/66/640146566.db2.gz QDYIHHLZTWCBIB-ZWKOTPCHSA-N 2 1 299.462 2.477 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)CCO1 ZINC000843044129 640249468 /nfs/dbraw/zinc/24/94/68/640249468.db2.gz UMFRAYVCOJXMJC-XJKSGUPXSA-N 2 1 266.429 2.408 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000843046733 640250945 /nfs/dbraw/zinc/25/09/45/640250945.db2.gz ADBMBDUCFFUDAC-AWEZNQCLSA-N 2 1 255.365 2.406 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)CCO2 ZINC000843053948 640255666 /nfs/dbraw/zinc/25/56/66/640255666.db2.gz MSMPRUJPVFRVOV-MQVJKMGUSA-N 2 1 272.392 2.466 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000843123869 640290514 /nfs/dbraw/zinc/29/05/14/640290514.db2.gz QZBDEUIAMOQTHF-INIZCTEOSA-N 2 1 260.381 2.420 20 0 CEADMP C[C@@H]1C[C@H](N[C@H](CCC[NH3+])c2ccccc2)CC[NH2+]1 ZINC000843126024 640292389 /nfs/dbraw/zinc/29/23/89/640292389.db2.gz MLGFKHMHPOUPSO-FVQBIDKESA-N 2 1 261.413 2.197 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@H](C)[NH3+])cc1)C(C)C ZINC000877103067 650573672 /nfs/dbraw/zinc/57/36/72/650573672.db2.gz PQQUCPKWPZFJMM-AWEZNQCLSA-N 2 1 291.439 2.336 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843362933 640405456 /nfs/dbraw/zinc/40/54/56/640405456.db2.gz JVPMYHAIFAALRO-HUUCEWRRSA-N 2 1 282.428 2.184 20 0 CEADMP Cn1c(Cl)cnc1C[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000843388717 640413157 /nfs/dbraw/zinc/41/31/57/640413157.db2.gz DGIRUDWXDRNOJF-UHFFFAOYSA-N 2 1 284.835 2.285 20 0 CEADMP Cn1c(Cl)cnc1C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000843388717 640413162 /nfs/dbraw/zinc/41/31/62/640413162.db2.gz DGIRUDWXDRNOJF-UHFFFAOYSA-N 2 1 284.835 2.285 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000844197624 640629010 /nfs/dbraw/zinc/62/90/10/640629010.db2.gz XOXQWUZPRSEDIH-QGZVFWFLSA-N 2 1 295.471 2.101 20 0 CEADMP Cc1ccc(N2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000844222202 640636423 /nfs/dbraw/zinc/63/64/23/640636423.db2.gz ZSSYQFHPKBIIHU-MRXNPFEDSA-N 2 1 273.424 2.117 20 0 CEADMP CC(C)c1cnc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000844222329 640636568 /nfs/dbraw/zinc/63/65/68/640636568.db2.gz BCPWKNBLYMLAIU-UHFFFAOYSA-N 2 1 263.385 2.374 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1c(C)nn(C)c1Cl ZINC000844905450 640861563 /nfs/dbraw/zinc/86/15/63/640861563.db2.gz ZPTXKVYIERCCRN-UHFFFAOYSA-N 2 1 292.814 2.391 20 0 CEADMP C[C@H](O)c1ncc(C[NH2+]Cc2ccc(C[NH3+])cc2F)s1 ZINC000844908931 640862794 /nfs/dbraw/zinc/86/27/94/640862794.db2.gz YTHHUGKCKKOMEX-VIFPVBQESA-N 2 1 295.383 2.084 20 0 CEADMP C[N@H+]1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CCC1(C)C ZINC000877206220 650627508 /nfs/dbraw/zinc/62/75/08/650627508.db2.gz DOYAHVFSMBTZAD-CABCVRRESA-N 2 1 295.471 2.227 20 0 CEADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000845935276 641132184 /nfs/dbraw/zinc/13/21/84/641132184.db2.gz MVOBKHZRUWESJV-FXUDXRNXSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000845935276 641132189 /nfs/dbraw/zinc/13/21/89/641132189.db2.gz MVOBKHZRUWESJV-FXUDXRNXSA-N 2 1 266.429 2.408 20 0 CEADMP Fc1cccc(F)c1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925480445 641159957 /nfs/dbraw/zinc/15/99/57/641159957.db2.gz MDNJAMJQLJJDRK-JXNBKPOHSA-N 2 1 278.346 2.093 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C/C=C\Cl)C1 ZINC000846229313 641235799 /nfs/dbraw/zinc/23/57/99/641235799.db2.gz SRKKRMMUQJHHQL-PEGWKCJBSA-N 2 1 258.793 2.100 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000921470699 641277972 /nfs/dbraw/zinc/27/79/72/641277972.db2.gz KCQRWNSVYHSAKJ-UHFFFAOYSA-N 2 1 277.368 2.211 20 0 CEADMP CCOC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000233724138 641333893 /nfs/dbraw/zinc/33/38/93/641333893.db2.gz IWSSSMKDQFCWFF-JALIKCBVSA-N 2 1 254.418 2.262 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000070170509 641640354 /nfs/dbraw/zinc/64/03/54/641640354.db2.gz QSZAIQQDRQDDPN-CYBMUJFWSA-N 2 1 293.386 2.215 20 0 CEADMP C[C@H]1C[C@H]1C(N)=[NH+]OCC[N@H+](C)Cc1ccccc1 ZINC000848518078 642024483 /nfs/dbraw/zinc/02/44/83/642024483.db2.gz GSECKLJMZKUKBY-GXTWGEPZSA-N 2 1 261.369 2.273 20 0 CEADMP C[C@H]1C[C@H]1C(N)=[NH+]OCC[N@@H+](C)Cc1ccccc1 ZINC000848518078 642024487 /nfs/dbraw/zinc/02/44/87/642024487.db2.gz GSECKLJMZKUKBY-GXTWGEPZSA-N 2 1 261.369 2.273 20 0 CEADMP CCOCOc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000848545373 642046108 /nfs/dbraw/zinc/04/61/08/642046108.db2.gz DECFQZKUHFBNJV-UHFFFAOYSA-N 2 1 278.396 2.245 20 0 CEADMP CC(C)[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995791354 642076044 /nfs/dbraw/zinc/07/60/44/642076044.db2.gz GKOZXCAHMWAXTM-CABCVRRESA-N 2 1 295.471 2.094 20 0 CEADMP CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995914790 642082181 /nfs/dbraw/zinc/08/21/81/642082181.db2.gz LADDYFGCJMJXCD-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](CNC(=[NH2+])Nc1ccccn1)[N@H+]1CCCC[C@H]1C ZINC000848987157 642208908 /nfs/dbraw/zinc/20/89/08/642208908.db2.gz KQMRVOYLQUYQTL-CHWSQXEVSA-N 2 1 275.400 2.281 20 0 CEADMP Cc1ccc(CNC(=[NH2+])NC[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000848996475 642215770 /nfs/dbraw/zinc/21/57/70/642215770.db2.gz XILZSHRXEKFQAB-MRXNPFEDSA-N 2 1 288.439 2.339 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000848996054 642216077 /nfs/dbraw/zinc/21/60/77/642216077.db2.gz AWVVCCXVESOGNP-CQSZACIVSA-N 2 1 266.433 2.117 20 0 CEADMP Cc1cccc(NC(=[NH2+])NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000849004140 642220747 /nfs/dbraw/zinc/22/07/47/642220747.db2.gz AWCXXBHHSAWEPM-ZDUSSCGKSA-N 2 1 260.385 2.273 20 0 CEADMP [NH2+]=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)NC1CCC1 ZINC000849009003 642225028 /nfs/dbraw/zinc/22/50/28/642225028.db2.gz NMQJKABYGVTFQY-MRXNPFEDSA-N 2 1 286.423 2.317 20 0 CEADMP CC(C)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000849026271 642239415 /nfs/dbraw/zinc/23/94/15/642239415.db2.gz QSFBEMZUUYUXNU-AWEZNQCLSA-N 2 1 266.433 2.306 20 0 CEADMP C[N@@H+](CCCCNC(=[NH2+])NCCc1ccccc1)C1CC1 ZINC000849039796 642250624 /nfs/dbraw/zinc/25/06/24/642250624.db2.gz SFFGRIJQIJYIKZ-UHFFFAOYSA-N 2 1 288.439 2.217 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000999971541 642524120 /nfs/dbraw/zinc/52/41/20/642524120.db2.gz BKTYZMZGEMNVNY-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(C)C)C1 ZINC001001010390 642675597 /nfs/dbraw/zinc/67/55/97/642675597.db2.gz STUPBXFSUPWLTI-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000850396153 642700145 /nfs/dbraw/zinc/70/01/45/642700145.db2.gz HJETWUJJRURFLQ-BHYGNILZSA-N 2 1 296.455 2.035 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2SCCS2)[C@@H]2CCC[C@H]21 ZINC000850561617 642753445 /nfs/dbraw/zinc/75/34/45/642753445.db2.gz POPJSGWLPWYNSW-SDDRHHMPSA-N 2 1 272.483 2.255 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921915175 642783813 /nfs/dbraw/zinc/78/38/13/642783813.db2.gz RKBCLWZQSWRBBA-OAHLLOKOSA-N 2 1 296.434 2.310 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921915175 642783814 /nfs/dbraw/zinc/78/38/14/642783814.db2.gz RKBCLWZQSWRBBA-OAHLLOKOSA-N 2 1 296.434 2.310 20 0 CEADMP c1cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)n(C2CCC2)n1 ZINC000922026266 642847491 /nfs/dbraw/zinc/84/74/91/642847491.db2.gz SRRIJIMYVJJYFU-ZDUSSCGKSA-N 2 1 285.395 2.157 20 0 CEADMP CCc1[nH]nc(Cl)c1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000922063697 642861492 /nfs/dbraw/zinc/86/14/92/642861492.db2.gz NMXLOBOYCBWHFG-JTQLQIEISA-N 2 1 293.802 2.174 20 0 CEADMP C[C@@H](C[NH2+]Cc1cn(C)nc1C1CCCC1)C[NH+](C)C ZINC000922140939 642902361 /nfs/dbraw/zinc/90/23/61/642902361.db2.gz VJYMYTQMIXCEJE-ZDUSSCGKSA-N 2 1 278.444 2.365 20 0 CEADMP CC[C@H](C)C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003628463 642962609 /nfs/dbraw/zinc/96/26/09/642962609.db2.gz QCJVKAHMBDIFTI-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000109939361 642996674 /nfs/dbraw/zinc/99/66/74/642996674.db2.gz FIHZKYDLEXPKRO-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccsc1)C2 ZINC000922390082 643058800 /nfs/dbraw/zinc/05/88/00/643058800.db2.gz XFURJJWYDHZCTD-KLHDSHLOSA-N 2 1 294.464 2.317 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](CCc1ccccc1)C1CC1 ZINC000851738659 643136985 /nfs/dbraw/zinc/13/69/85/643136985.db2.gz NOUAHZMIAIWWAA-SFHVURJKSA-N 2 1 290.451 2.395 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CCc1ccccc1)C1CC1 ZINC000851738659 643136988 /nfs/dbraw/zinc/13/69/88/643136988.db2.gz NOUAHZMIAIWWAA-SFHVURJKSA-N 2 1 290.451 2.395 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](CCc1ccccc1)C1CC1 ZINC000851738659 643136991 /nfs/dbraw/zinc/13/69/91/643136991.db2.gz NOUAHZMIAIWWAA-SFHVURJKSA-N 2 1 290.451 2.395 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CCc1ccccc1)C1CC1 ZINC000851738659 643136993 /nfs/dbraw/zinc/13/69/93/643136993.db2.gz NOUAHZMIAIWWAA-SFHVURJKSA-N 2 1 290.451 2.395 20 0 CEADMP CCO[C@@H](C[NH2+]C[C@H]1CCOc2ccccc21)C[NH+](C)C ZINC000922757685 643247408 /nfs/dbraw/zinc/24/74/08/643247408.db2.gz JZMTWHDSWFQILY-CABCVRRESA-N 2 1 292.423 2.109 20 0 CEADMP CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC)CC1)[NH+](C)C ZINC001004549244 643317579 /nfs/dbraw/zinc/31/75/79/643317579.db2.gz VTHLXMFWIGYSLE-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH2+]C1(CO)CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000852124628 643318819 /nfs/dbraw/zinc/31/88/19/643318819.db2.gz ZUAKTWBISVQSHR-UHFFFAOYSA-N 2 1 290.398 2.104 20 0 CEADMP COCC[N@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000877665391 650840564 /nfs/dbraw/zinc/84/05/64/650840564.db2.gz UBEJROGJIHJMSA-UHFFFAOYSA-N 2 1 276.424 2.477 20 0 CEADMP CCSCC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000877664515 650840943 /nfs/dbraw/zinc/84/09/43/650840943.db2.gz QDCUTXKKLTWDFV-UHFFFAOYSA-N 2 1 274.474 2.030 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCO[C@H](C)C1 ZINC000877664813 650841000 /nfs/dbraw/zinc/84/10/00/650841000.db2.gz XVTWLYHBBOZVMN-NVXWUHKLSA-N 2 1 298.471 2.092 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000923004184 643508414 /nfs/dbraw/zinc/50/84/14/643508414.db2.gz AQOMZRISXVPILC-NRSFXHEJSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000923004184 643508416 /nfs/dbraw/zinc/50/84/16/643508416.db2.gz AQOMZRISXVPILC-NRSFXHEJSA-N 2 1 288.435 2.400 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(=O)C(C)(C)C)CCO1 ZINC000852760502 643540614 /nfs/dbraw/zinc/54/06/14/643540614.db2.gz GXLBUPOTAOLCLG-CQSZACIVSA-N 2 1 284.444 2.034 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC(=O)C(C)(C)C)CCO1 ZINC000852760502 643540619 /nfs/dbraw/zinc/54/06/19/643540619.db2.gz GXLBUPOTAOLCLG-CQSZACIVSA-N 2 1 284.444 2.034 20 0 CEADMP [NH3+]CCCCCCC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000852927803 643600559 /nfs/dbraw/zinc/60/05/59/643600559.db2.gz RBNFOISLBFYXJH-MRXNPFEDSA-N 2 1 295.471 2.134 20 0 CEADMP CCc1onc(C)c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000923287761 643642111 /nfs/dbraw/zinc/64/21/11/643642111.db2.gz FQTGQZHJUCXKKD-PWSUYJOCSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000923287761 643642114 /nfs/dbraw/zinc/64/21/14/643642114.db2.gz FQTGQZHJUCXKKD-PWSUYJOCSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1onc(C)c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000923287759 643642176 /nfs/dbraw/zinc/64/21/76/643642176.db2.gz FQTGQZHJUCXKKD-JQWIXIFHSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000923287759 643642179 /nfs/dbraw/zinc/64/21/79/643642179.db2.gz FQTGQZHJUCXKKD-JQWIXIFHSA-N 2 1 251.374 2.105 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000923290578 643642970 /nfs/dbraw/zinc/64/29/70/643642970.db2.gz ZNFTXUQTYBYBNS-FIXISWKDSA-N 2 1 284.350 2.057 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000923290578 643642976 /nfs/dbraw/zinc/64/29/76/643642976.db2.gz ZNFTXUQTYBYBNS-FIXISWKDSA-N 2 1 284.350 2.057 20 0 CEADMP CC1CCC([N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C2CC2)CC1 ZINC000923307889 643649290 /nfs/dbraw/zinc/64/92/90/643649290.db2.gz ZAFOMLOGGIFPOG-ZBCRRDGASA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303501 643650836 /nfs/dbraw/zinc/65/08/36/643650836.db2.gz DWHOZQRAXPOYHP-YPMHNXCESA-N 2 1 296.361 2.336 20 0 CEADMP COc1cc(C[N@H+](C)CCC[NH2+]C2CC2)cc(OC)c1 ZINC000923304071 643651885 /nfs/dbraw/zinc/65/18/85/643651885.db2.gz CCKRIQMSFUZSRA-UHFFFAOYSA-N 2 1 278.396 2.278 20 0 CEADMP COc1cc(C[N@@H+](C)CCC[NH2+]C2CC2)cc(OC)c1 ZINC000923304071 643651889 /nfs/dbraw/zinc/65/18/89/643651889.db2.gz CCKRIQMSFUZSRA-UHFFFAOYSA-N 2 1 278.396 2.278 20 0 CEADMP Cc1ccccc1[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312904 643653579 /nfs/dbraw/zinc/65/35/79/643653579.db2.gz SHLDTPBMKGFJDQ-HZPDHXFCSA-N 2 1 286.419 2.163 20 0 CEADMP Cc1ccc(C(C)(C)C[N@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)cc1 ZINC000923316753 643655763 /nfs/dbraw/zinc/65/57/63/643655763.db2.gz NNINSRHREKOWED-JYJNAYRXSA-N 2 1 276.424 2.055 20 0 CEADMP CC[C@H]1CCCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316707 643656406 /nfs/dbraw/zinc/65/64/06/643656406.db2.gz RLZSDGJZXWQHAL-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP CCCNC(=O)C[N@@H+](CCC)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923310080 643658460 /nfs/dbraw/zinc/65/84/60/643658460.db2.gz RHXPTEFUMSATJI-MQVJKMGUSA-N 2 1 295.471 2.145 20 0 CEADMP O[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923329898 643660883 /nfs/dbraw/zinc/66/08/83/643660883.db2.gz QYHFMLGHPFKWOP-KSZLIROESA-N 2 1 288.435 2.054 20 0 CEADMP CN1CCC[C@H]1[C@@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923323578 643662522 /nfs/dbraw/zinc/66/25/22/643662522.db2.gz UPITZUYQHSEXGT-KKGYMGPXSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923323578 643662523 /nfs/dbraw/zinc/66/25/23/643662523.db2.gz UPITZUYQHSEXGT-KKGYMGPXSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923323578 643662526 /nfs/dbraw/zinc/66/25/26/643662526.db2.gz UPITZUYQHSEXGT-KKGYMGPXSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+](C[C@H](O)CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923327277 643664192 /nfs/dbraw/zinc/66/41/92/643664192.db2.gz BQPPMLXMWZCUME-UJJTZGENSA-N 2 1 288.435 2.195 20 0 CEADMP C[N@@H+](CCc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000923333548 643665859 /nfs/dbraw/zinc/66/58/59/643665859.db2.gz AFMRDACRDLKIEE-OAHLLOKOSA-N 2 1 250.361 2.442 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000923348767 643672325 /nfs/dbraw/zinc/67/23/25/643672325.db2.gz JYYKOJWNCBLDPB-ABAIWWIYSA-N 2 1 284.350 2.059 20 0 CEADMP C[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000923343372 643675022 /nfs/dbraw/zinc/67/50/22/643675022.db2.gz AIIOKCBTEMZCDS-XIRDDKMYSA-N 2 1 276.424 2.039 20 0 CEADMP [NH3+]CCC[N@@H+](C[C@@H](O)CC(F)(F)F)CC1CCCC1 ZINC000923353919 643677905 /nfs/dbraw/zinc/67/79/05/643677905.db2.gz NYCGIPHGHHVAEW-LBPRGKRZSA-N 2 1 282.350 2.141 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000923354664 643678399 /nfs/dbraw/zinc/67/83/99/643678399.db2.gz CWDGUHQTSUBOFG-IRXDYDNUSA-N 2 1 274.408 2.104 20 0 CEADMP N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000923353088 643678556 /nfs/dbraw/zinc/67/85/56/643678556.db2.gz ZTBQRJKHSOGMQR-GBESFXJTSA-N 2 1 296.414 2.017 20 0 CEADMP N[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000923353088 643678559 /nfs/dbraw/zinc/67/85/59/643678559.db2.gz ZTBQRJKHSOGMQR-GBESFXJTSA-N 2 1 296.414 2.017 20 0 CEADMP O[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000923364575 643679264 /nfs/dbraw/zinc/67/92/64/643679264.db2.gz OCQGRGOWJLNIFH-GVDBMIGSSA-N 2 1 274.408 2.184 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923363412 643679293 /nfs/dbraw/zinc/67/92/93/643679293.db2.gz XBJUZGUXVXQDDU-AEUSTVAISA-N 3 1 291.483 2.229 20 0 CEADMP O[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000923364573 643679679 /nfs/dbraw/zinc/67/96/79/643679679.db2.gz OCQGRGOWJLNIFH-BRWVUGGUSA-N 2 1 274.408 2.184 20 0 CEADMP O[C@@H](CCc1ccccc1)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923365547 643681136 /nfs/dbraw/zinc/68/11/36/643681136.db2.gz FVGGREKDFXGPHV-ROUUACIJSA-N 2 1 288.435 2.056 20 0 CEADMP COC(=O)CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)C ZINC000923369628 643683248 /nfs/dbraw/zinc/68/32/48/643683248.db2.gz MEUIJVPVZVJEAT-MQVJKMGUSA-N 2 1 296.455 2.428 20 0 CEADMP C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923370778 643683255 /nfs/dbraw/zinc/68/32/55/643683255.db2.gz KDQQNTXPFVLKHT-GFCCVEGCSA-N 2 1 298.789 2.289 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923362938 643684224 /nfs/dbraw/zinc/68/42/24/643684224.db2.gz QXBAFHKCVPOCGN-UONOGXRCSA-N 2 1 277.412 2.367 20 0 CEADMP [NH3+]C[C@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000923373042 643684355 /nfs/dbraw/zinc/68/43/55/643684355.db2.gz KSSSVSNXXPYSKP-YQAQFAQXSA-N 3 1 279.472 2.404 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000923382945 643688209 /nfs/dbraw/zinc/68/82/09/643688209.db2.gz NZCHJQORVLBEJX-KBXIAJHMSA-N 2 1 256.434 2.089 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000923382631 643688575 /nfs/dbraw/zinc/68/85/75/643688575.db2.gz DRQLBPCPGGQKPW-GJZGRUSLSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000923389897 643689528 /nfs/dbraw/zinc/68/95/28/643689528.db2.gz ZZEMWJSCJPXAIE-QLFBSQMISA-N 2 1 256.434 2.233 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000923415188 643702093 /nfs/dbraw/zinc/70/20/93/643702093.db2.gz OZDMVBYHXVVQLE-NVXWUHKLSA-N 2 1 276.424 2.417 20 0 CEADMP CC[C@H](O)C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000923426197 643705463 /nfs/dbraw/zinc/70/54/63/643705463.db2.gz NUPJOANVAKYQIK-CWRNSKLLSA-N 2 1 268.445 2.377 20 0 CEADMP CC(C)CC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000923427276 643706209 /nfs/dbraw/zinc/70/62/09/643706209.db2.gz IXLDXBVUTPOGHW-KBPBESRZSA-N 2 1 254.418 2.048 20 0 CEADMP C[N@H+](C[C@@H](O)c1ccc(F)cc1)C1(C[NH3+])CCCCC1 ZINC000923421035 643709338 /nfs/dbraw/zinc/70/93/38/643709338.db2.gz DLDLQXBXIHABCQ-OAHLLOKOSA-N 2 1 280.387 2.453 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C1(C[NH3+])CCCCC1 ZINC000923421035 643709340 /nfs/dbraw/zinc/70/93/40/643709340.db2.gz DLDLQXBXIHABCQ-OAHLLOKOSA-N 2 1 280.387 2.453 20 0 CEADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923485293 643732998 /nfs/dbraw/zinc/73/29/98/643732998.db2.gz HBHGELQGBSFPSO-CHWSQXEVSA-N 2 1 293.386 2.132 20 0 CEADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923495333 643734004 /nfs/dbraw/zinc/73/40/04/643734004.db2.gz ALPCNJOJTLQIGZ-STQMWFEESA-N 2 1 293.386 2.071 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cncc(Cl)c2)CC[C@H]1C[NH3+] ZINC000923490382 643734991 /nfs/dbraw/zinc/73/49/91/643734991.db2.gz NFAIVNYQUKLTDE-JQWIXIFHSA-N 2 1 253.777 2.152 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)CC[C@@H]1C[NH3+] ZINC000923489313 643735124 /nfs/dbraw/zinc/73/51/24/643735124.db2.gz ILXRRAMONULMGT-ZIAGYGMSSA-N 2 1 274.408 2.176 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502382 643738108 /nfs/dbraw/zinc/73/81/08/643738108.db2.gz WSUSZQOHSOZSTG-OCCSQVGLSA-N 2 1 272.396 2.059 20 0 CEADMP COc1c(C)cnc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1C ZINC000923502862 643739256 /nfs/dbraw/zinc/73/92/56/643739256.db2.gz ZMSSJRMFGCMTQA-GXTWGEPZSA-N 2 1 277.412 2.124 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nccn2Cc2ccccc2)CC[C@H]1C[NH3+] ZINC000923500349 643740728 /nfs/dbraw/zinc/74/07/28/643740728.db2.gz WUQIWNNKKODGFA-RDJZCZTQSA-N 2 1 298.434 2.348 20 0 CEADMP CO[C@H](C)c1nc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923499779 643741231 /nfs/dbraw/zinc/74/12/31/643741231.db2.gz MAGDLNOHZWACOL-TUAOUCFPSA-N 2 1 283.441 2.267 20 0 CEADMP CO[C@H](C)c1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923499779 643741232 /nfs/dbraw/zinc/74/12/32/643741232.db2.gz MAGDLNOHZWACOL-TUAOUCFPSA-N 2 1 283.441 2.267 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nccn2Cc2ccccc2)CC[C@H]1C[NH3+] ZINC000923500351 643741394 /nfs/dbraw/zinc/74/13/94/643741394.db2.gz WUQIWNNKKODGFA-WBVHZDCISA-N 2 1 298.434 2.348 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923504707 643742917 /nfs/dbraw/zinc/74/29/17/643742917.db2.gz TZJBMJULKVBHAR-YHUYYLMFSA-N 2 1 295.471 2.083 20 0 CEADMP Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923507267 643744200 /nfs/dbraw/zinc/74/42/00/643744200.db2.gz JPGPPYKVAVQZSE-LSDHHAIUSA-N 2 1 289.423 2.159 20 0 CEADMP c1cnc2c(c1)cccc2C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518075 643748310 /nfs/dbraw/zinc/74/83/10/643748310.db2.gz RYISIKFRDDMYLJ-GOEBONIOSA-N 2 1 267.376 2.276 20 0 CEADMP CCOc1ccc(OCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923519842 643748682 /nfs/dbraw/zinc/74/86/82/643748682.db2.gz IOZWOYBYIRNHSA-LSDHHAIUSA-N 2 1 290.407 2.005 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCOC[C@H]1CC1CC1 ZINC000923553931 643759774 /nfs/dbraw/zinc/75/97/74/643759774.db2.gz LLYRNQUVHCAZPK-OAHLLOKOSA-N 2 1 254.418 2.397 20 0 CEADMP CC(C)C[C@H]1CN(C)CC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000923555569 643761353 /nfs/dbraw/zinc/76/13/53/643761353.db2.gz SNKYALUQOLISDD-KRWDZBQOSA-N 2 1 281.488 2.428 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000111617873 643909312 /nfs/dbraw/zinc/90/93/12/643909312.db2.gz XIEHCVULFDLMOQ-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000111617873 643909314 /nfs/dbraw/zinc/90/93/14/643909314.db2.gz XIEHCVULFDLMOQ-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000111617873 643909320 /nfs/dbraw/zinc/90/93/20/643909320.db2.gz XIEHCVULFDLMOQ-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCc3ccccc3F)CC[C@H]21 ZINC000877739797 650882536 /nfs/dbraw/zinc/88/25/36/650882536.db2.gz HGTRZWHKLILSBB-GOEBONIOSA-N 2 1 262.372 2.394 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccccc3F)CC[C@H]21 ZINC000877739797 650882540 /nfs/dbraw/zinc/88/25/40/650882540.db2.gz HGTRZWHKLILSBB-GOEBONIOSA-N 2 1 262.372 2.394 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccccc3F)CC[C@H]21 ZINC000877739797 650882543 /nfs/dbraw/zinc/88/25/43/650882543.db2.gz HGTRZWHKLILSBB-GOEBONIOSA-N 2 1 262.372 2.394 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccccc3F)CC[C@H]21 ZINC000877739797 650882549 /nfs/dbraw/zinc/88/25/49/650882549.db2.gz HGTRZWHKLILSBB-GOEBONIOSA-N 2 1 262.372 2.394 20 0 CEADMP CC(=O)Nc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877744322 650890516 /nfs/dbraw/zinc/89/05/16/650890516.db2.gz RNAJJCOFOOVMDE-RDJZCZTQSA-N 2 1 287.407 2.171 20 0 CEADMP CC(=O)Nc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877744322 650890519 /nfs/dbraw/zinc/89/05/19/650890519.db2.gz RNAJJCOFOOVMDE-RDJZCZTQSA-N 2 1 287.407 2.171 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877744322 650890522 /nfs/dbraw/zinc/89/05/22/650890522.db2.gz RNAJJCOFOOVMDE-RDJZCZTQSA-N 2 1 287.407 2.171 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877744322 650890524 /nfs/dbraw/zinc/89/05/24/650890524.db2.gz RNAJJCOFOOVMDE-RDJZCZTQSA-N 2 1 287.407 2.171 20 0 CEADMP COCc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877744739 650890543 /nfs/dbraw/zinc/89/05/43/650890543.db2.gz XKRMRAKYGSSAHY-DLBZAZTESA-N 2 1 274.408 2.359 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877744739 650890545 /nfs/dbraw/zinc/89/05/45/650890545.db2.gz XKRMRAKYGSSAHY-DLBZAZTESA-N 2 1 274.408 2.359 20 0 CEADMP COCc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000877744739 650890548 /nfs/dbraw/zinc/89/05/48/650890548.db2.gz XKRMRAKYGSSAHY-DLBZAZTESA-N 2 1 274.408 2.359 20 0 CEADMP COCc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877744739 650890549 /nfs/dbraw/zinc/89/05/49/650890549.db2.gz XKRMRAKYGSSAHY-DLBZAZTESA-N 2 1 274.408 2.359 20 0 CEADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H](O)c1ccccc1 ZINC000838989484 644112839 /nfs/dbraw/zinc/11/28/39/644112839.db2.gz SAJVQZVOOCJTOR-DLBZAZTESA-N 2 1 287.407 2.310 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000755064056 644466607 /nfs/dbraw/zinc/46/66/07/644466607.db2.gz HHTGPXWQTODCKH-UHFFFAOYSA-N 2 1 291.430 2.380 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@@H]2CC2(F)F)s1 ZINC000856802899 644729466 /nfs/dbraw/zinc/72/94/66/644729466.db2.gz TVUXGIKZYYOEPT-SECBINFHSA-N 2 1 275.368 2.340 20 0 CEADMP CC(C)C[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000757562151 644817359 /nfs/dbraw/zinc/81/73/59/644817359.db2.gz YMFGGWNZEHTOFD-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)C[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000757562151 644817363 /nfs/dbraw/zinc/81/73/63/644817363.db2.gz YMFGGWNZEHTOFD-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)C[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000759121151 644986311 /nfs/dbraw/zinc/98/63/11/644986311.db2.gz MYPCFEFYPUGJCG-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC[NH+]2CCCC2)C1 ZINC000760842975 645199780 /nfs/dbraw/zinc/19/97/80/645199780.db2.gz GQTBKDYXHPDYLO-SFHVURJKSA-N 2 1 287.451 2.289 20 0 CEADMP OCc1cc(N[C@H]2CC[N@H+](C3CCCCC3)C2)cc[nH+]1 ZINC000858627106 645224789 /nfs/dbraw/zinc/22/47/89/645224789.db2.gz JCKSABGLQIALDJ-AWEZNQCLSA-N 2 1 275.396 2.393 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000878104929 650999661 /nfs/dbraw/zinc/99/96/61/650999661.db2.gz RUFQMFBVIJXOFY-KGLIPLIRSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[C@H](O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212209 645421510 /nfs/dbraw/zinc/42/15/10/645421510.db2.gz HQSYONGRIXWWES-INIZCTEOSA-N 2 1 264.413 2.341 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCC2(O)CCC2)cc1 ZINC000859212399 645421956 /nfs/dbraw/zinc/42/19/56/645421956.db2.gz IVCUZRWSNYREGX-UHFFFAOYSA-N 2 1 276.424 2.485 20 0 CEADMP CCC[C@@]1(C)CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878152505 651014925 /nfs/dbraw/zinc/01/49/25/651014925.db2.gz IMHCQUFEJTUZLB-KRWDZBQOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[C@]1(C)CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878152506 651015044 /nfs/dbraw/zinc/01/50/44/651015044.db2.gz IMHCQUFEJTUZLB-QGZVFWFLSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000878166851 651021741 /nfs/dbraw/zinc/02/17/41/651021741.db2.gz HQCMOZXEHFMLMU-XUWVNRHRSA-N 2 1 266.429 2.218 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000878166851 651021742 /nfs/dbraw/zinc/02/17/42/651021742.db2.gz HQCMOZXEHFMLMU-XUWVNRHRSA-N 2 1 266.429 2.218 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000878166851 651021744 /nfs/dbraw/zinc/02/17/44/651021744.db2.gz HQCMOZXEHFMLMU-XUWVNRHRSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000764512584 645651531 /nfs/dbraw/zinc/65/15/31/645651531.db2.gz IEVTYMIHQICZNL-USXIJHARSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000764512584 645651533 /nfs/dbraw/zinc/65/15/33/645651533.db2.gz IEVTYMIHQICZNL-USXIJHARSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000764512578 645651700 /nfs/dbraw/zinc/65/17/00/645651700.db2.gz IEVTYMIHQICZNL-OIISXLGYSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000764512578 645651701 /nfs/dbraw/zinc/65/17/01/645651701.db2.gz IEVTYMIHQICZNL-OIISXLGYSA-N 2 1 276.424 2.258 20 0 CEADMP C=C/C=C/CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000878287488 651054461 /nfs/dbraw/zinc/05/44/61/651054461.db2.gz DRWBKIDAORWVSV-NTBLUZEKSA-N 2 1 264.413 2.302 20 0 CEADMP CC(C)C[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878269415 651049473 /nfs/dbraw/zinc/04/94/73/651049473.db2.gz NVZMGBJHDISTMN-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878287756 651054132 /nfs/dbraw/zinc/05/41/32/651054132.db2.gz INMHECQCQDKXAN-PMPSAXMXSA-N 2 1 277.412 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878287756 651054136 /nfs/dbraw/zinc/05/41/36/651054136.db2.gz INMHECQCQDKXAN-PMPSAXMXSA-N 2 1 277.412 2.471 20 0 CEADMP CC[NH+](CC)CC(C)(C)COC(=O)Cn1c[nH+]cc1C ZINC000860778102 645902546 /nfs/dbraw/zinc/90/25/46/645902546.db2.gz GQSVMJZSQIAKNS-UHFFFAOYSA-N 2 1 281.400 2.103 20 0 CEADMP CCC1(CC)C[N@H+](C[C@H](O)C[NH+]2CCCC2)CCS1 ZINC000767001046 645945683 /nfs/dbraw/zinc/94/56/83/645945683.db2.gz PAIXPRGXCLLNOF-CQSZACIVSA-N 2 1 286.485 2.051 20 0 CEADMP CCC1(CC)C[N@@H+](C[C@H](O)C[NH+]2CCCC2)CCS1 ZINC000767001046 645945685 /nfs/dbraw/zinc/94/56/85/645945685.db2.gz PAIXPRGXCLLNOF-CQSZACIVSA-N 2 1 286.485 2.051 20 0 CEADMP Cc1[nH+]ccn1CCCOC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000767640970 646016552 /nfs/dbraw/zinc/01/65/52/646016552.db2.gz CAFFIHAQYYIXNL-CQSZACIVSA-N 2 1 293.411 2.389 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000773139858 646709554 /nfs/dbraw/zinc/70/95/54/646709554.db2.gz UIZWRKHGALSOMH-FRRDWIJNSA-N 2 1 272.483 2.050 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)ncn3C)[C@H](C)C1 ZINC000774816506 646898781 /nfs/dbraw/zinc/89/87/81/646898781.db2.gz PQIYSDNREYRUEM-HIFRSBDPSA-N 2 1 286.423 2.393 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC000774910814 646908085 /nfs/dbraw/zinc/90/80/85/646908085.db2.gz SKQLFELEFHWJJB-HZPDHXFCSA-N 2 1 282.428 2.112 20 0 CEADMP C[C@H]([NH2+][C@@H](CO)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775523287 646962890 /nfs/dbraw/zinc/96/28/90/646962890.db2.gz HKWROLYMQLCJLJ-QGTPRVQTSA-N 2 1 288.435 2.258 20 0 CEADMP Cc1ccc([C@H](CNC(=[NH2+])N[C@@H]2C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000864457121 647012369 /nfs/dbraw/zinc/01/23/69/647012369.db2.gz PBTFSQPEYOBTDR-YUTCNCBUSA-N 2 1 290.411 2.247 20 0 CEADMP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H]2CCCC[N@H+]2CC)C1 ZINC000864458848 647014125 /nfs/dbraw/zinc/01/41/25/647014125.db2.gz URYGLMBZMQHXFS-KGLIPLIRSA-N 2 1 266.433 2.117 20 0 CEADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000864465181 647019525 /nfs/dbraw/zinc/01/95/25/647019525.db2.gz QWSUTLDDQLISIC-KBMXLJTQSA-N 2 1 286.423 2.031 20 0 CEADMP C[NH+](C)CCn1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000864624166 647069638 /nfs/dbraw/zinc/06/96/38/647069638.db2.gz UPMNUBUFYVCXGV-QGZVFWFLSA-N 2 1 299.422 2.007 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865417330 647284317 /nfs/dbraw/zinc/28/43/17/647284317.db2.gz HFDPPRVUQHEBFN-SNVBAGLBSA-N 2 1 271.767 2.306 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865417330 647284319 /nfs/dbraw/zinc/28/43/19/647284319.db2.gz HFDPPRVUQHEBFN-SNVBAGLBSA-N 2 1 271.767 2.306 20 0 CEADMP COc1cncc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1C ZINC000865483205 647318987 /nfs/dbraw/zinc/31/89/87/647318987.db2.gz GMRDBVKXDFANCO-GJZGRUSLSA-N 2 1 277.412 2.361 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@H](O)C2CCCC2)CC1(C)C ZINC000865877866 647519876 /nfs/dbraw/zinc/51/98/76/647519876.db2.gz UQAFBYHRUODJBN-CABCVRRESA-N 2 1 268.445 2.390 20 0 CEADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccoc2)C1 ZINC000781642256 647547978 /nfs/dbraw/zinc/54/79/78/647547978.db2.gz ZBIYUGNYLNFELG-QGZVFWFLSA-N 2 1 286.375 2.136 20 0 CEADMP C[C@H]1CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000783216914 647695539 /nfs/dbraw/zinc/69/55/39/647695539.db2.gz WDFUEULSXQJELW-WMLDXEAASA-N 2 1 274.408 2.407 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)CC1(C)OCCO1 ZINC000866427134 647784126 /nfs/dbraw/zinc/78/41/26/647784126.db2.gz IVGCOTAUUGXBRH-CAOSSQGBSA-N 2 1 296.455 2.238 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000866661208 647859372 /nfs/dbraw/zinc/85/93/72/647859372.db2.gz QDEBDNPUBTWZQO-SQWLQELKSA-N 2 1 289.423 2.381 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000866661208 647859377 /nfs/dbraw/zinc/85/93/77/647859377.db2.gz QDEBDNPUBTWZQO-SQWLQELKSA-N 2 1 289.423 2.381 20 0 CEADMP C(C[N@H+]1CCC[C@@H](OC2CCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000866697378 647872682 /nfs/dbraw/zinc/87/26/82/647872682.db2.gz OAXHXAXQGIIVQR-GOEBONIOSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703643 647875603 /nfs/dbraw/zinc/87/56/03/647875603.db2.gz NJBIVJVGTKOTMB-HNNXBMFYSA-N 2 1 265.401 2.488 20 0 CEADMP c1ccc(CC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000786670228 648035381 /nfs/dbraw/zinc/03/53/81/648035381.db2.gz GMLRVBUXVGRRPD-UHFFFAOYSA-N 2 1 288.435 2.416 20 0 CEADMP c1ccc(CC[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000786670228 648035382 /nfs/dbraw/zinc/03/53/82/648035382.db2.gz GMLRVBUXVGRRPD-UHFFFAOYSA-N 2 1 288.435 2.416 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC000870918821 648953093 /nfs/dbraw/zinc/95/30/93/648953093.db2.gz QLWOSJJGMLVYGT-JOCQHMNTSA-N 2 1 299.378 2.032 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)CC1(C)C ZINC000872105243 649278253 /nfs/dbraw/zinc/27/82/53/649278253.db2.gz FAUFOCBCRKPWES-CHWSQXEVSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)[C@H]2CCC[C@@H]21 ZINC000872105085 649278412 /nfs/dbraw/zinc/27/84/12/649278412.db2.gz AHOHTPPABIKDQQ-XGUBFFRZSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)OC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000872115574 649282274 /nfs/dbraw/zinc/28/22/74/649282274.db2.gz DDZAEPWMEINBTA-KBPBESRZSA-N 2 1 254.418 2.406 20 0 CEADMP O=c1[nH]c2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2o1 ZINC000872123245 649284614 /nfs/dbraw/zinc/28/46/14/649284614.db2.gz NPYHZDQWBLDUKV-QWHCGFSZSA-N 2 1 287.363 2.250 20 0 CEADMP O=c1[nH]c2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2o1 ZINC000872123245 649284618 /nfs/dbraw/zinc/28/46/18/649284618.db2.gz NPYHZDQWBLDUKV-QWHCGFSZSA-N 2 1 287.363 2.250 20 0 CEADMP C[N@@H+](Cc1nc2c(o1)CCCC2)C1CCC([NH3+])CC1 ZINC000872141531 649290531 /nfs/dbraw/zinc/29/05/31/649290531.db2.gz LACRRMQGDOBWAQ-UHFFFAOYSA-N 2 1 263.385 2.255 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC3(CCC3)CO2)CC[C@@H]1[NH3+] ZINC000872144222 649295037 /nfs/dbraw/zinc/29/50/37/649295037.db2.gz YGHADFSTZFZGJS-RDBSUJKOSA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000872145185 649295715 /nfs/dbraw/zinc/29/57/15/649295715.db2.gz PRHRPMUOGZPBRY-JONQDZQNSA-N 2 1 296.455 2.162 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000872153953 649298358 /nfs/dbraw/zinc/29/83/58/649298358.db2.gz PPGMMCHKJWMMFQ-APHBMKBZSA-N 2 1 260.356 2.354 20 0 CEADMP C[N@H+](CCCCCC[NH3+])Cc1ncnn1-c1ccccc1 ZINC000872155539 649299057 /nfs/dbraw/zinc/29/90/57/649299057.db2.gz PFFAQOVDJJDOQU-UHFFFAOYSA-N 2 1 287.411 2.218 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1ncnn1-c1ccccc1 ZINC000872155539 649299059 /nfs/dbraw/zinc/29/90/59/649299059.db2.gz PFFAQOVDJJDOQU-UHFFFAOYSA-N 2 1 287.411 2.218 20 0 CEADMP Cn1cc(-c2cc(C[N@@H+](C)CCCCCC[NH3+])on2)cn1 ZINC000872155392 649299460 /nfs/dbraw/zinc/29/94/60/649299460.db2.gz MMOPQNCVPYDVGS-UHFFFAOYSA-N 2 1 291.399 2.026 20 0 CEADMP CCc1noc([C@H](C)[N@H+](C)CCCCCC[NH3+])n1 ZINC000872155651 649299768 /nfs/dbraw/zinc/29/97/68/649299768.db2.gz XOWPTYZXFFPYIV-NSHDSACASA-N 2 1 254.378 2.144 20 0 CEADMP CCc1noc([C@H](C)[N@@H+](C)CCCCCC[NH3+])n1 ZINC000872155651 649299775 /nfs/dbraw/zinc/29/97/75/649299775.db2.gz XOWPTYZXFFPYIV-NSHDSACASA-N 2 1 254.378 2.144 20 0 CEADMP Cn1cc[nH+]c1N1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872457342 649395827 /nfs/dbraw/zinc/39/58/27/649395827.db2.gz BWAZBKMUFFREAG-UHFFFAOYSA-N 2 1 283.379 2.019 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]cc1C1CC1 ZINC000872544082 649416610 /nfs/dbraw/zinc/41/66/10/649416610.db2.gz CENREDMRIAXLKC-UKRRQHHQSA-N 2 1 287.407 2.258 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000873133453 649566012 /nfs/dbraw/zinc/56/60/12/649566012.db2.gz HXGUDPAVOTWQGM-LSDHHAIUSA-N 2 1 298.471 2.017 20 0 CEADMP CCCCC[N@@H+](CCO)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873202679 649587248 /nfs/dbraw/zinc/58/72/48/649587248.db2.gz YBUXXHOOZAOINI-UHFFFAOYSA-N 2 1 282.453 2.378 20 0 CEADMP c1c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)sc2c1C[NH2+]CC2 ZINC000873207911 649589574 /nfs/dbraw/zinc/58/95/74/649589574.db2.gz GAGHYZLJQKJUCV-CHWSQXEVSA-N 2 1 292.448 2.252 20 0 CEADMP CC(C)C[N@H+](CC1CC[NH+](C)CC1)CC12CC(C1)CN2 ZINC000873223205 649597132 /nfs/dbraw/zinc/59/71/32/649597132.db2.gz LQFBIIOFUYQCSY-UHFFFAOYSA-N 2 1 279.472 2.038 20 0 CEADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CC12CC(C1)CN2 ZINC000873223205 649597135 /nfs/dbraw/zinc/59/71/35/649597135.db2.gz LQFBIIOFUYQCSY-UHFFFAOYSA-N 2 1 279.472 2.038 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCSCc1ccccc1)C2 ZINC000873228139 649599584 /nfs/dbraw/zinc/59/95/84/649599584.db2.gz AHHNMXSPSZRMFP-JKSUJKDBSA-N 2 1 276.449 2.461 20 0 CEADMP COc1cccc2cc(C[N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)oc21 ZINC000873228984 649600690 /nfs/dbraw/zinc/60/06/90/649600690.db2.gz MDLHRFFYCVRBQL-SUMWQHHRSA-N 2 1 286.375 2.483 20 0 CEADMP COc1cccc2cc(C[N@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)oc21 ZINC000873228984 649600694 /nfs/dbraw/zinc/60/06/94/649600694.db2.gz MDLHRFFYCVRBQL-SUMWQHHRSA-N 2 1 286.375 2.483 20 0 CEADMP CCOC(=O)C1CCC([NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000873234050 649604366 /nfs/dbraw/zinc/60/43/66/649604366.db2.gz BSQJVOVWIRSWEP-NRXISQOPSA-N 2 1 296.455 2.476 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)cn1 ZINC000873237597 649604605 /nfs/dbraw/zinc/60/46/05/649604605.db2.gz ROJLWHJLTHKSAR-ZFWWWQNUSA-N 2 1 291.439 2.389 20 0 CEADMP O=c1[nH]c2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCCC2 ZINC000873276623 649621983 /nfs/dbraw/zinc/62/19/83/649621983.db2.gz QPWOUXJGLCTBAL-YIONKMFJSA-N 2 1 287.407 2.039 20 0 CEADMP CC(C)c1[nH+]ccn1CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC000874463622 649778639 /nfs/dbraw/zinc/77/86/39/649778639.db2.gz NFDUFBHGGCJVCN-UHFFFAOYSA-N 2 1 294.443 2.101 20 0 CEADMP CC(C)c1[nH+]ccn1CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000874463622 649778641 /nfs/dbraw/zinc/77/86/41/649778641.db2.gz NFDUFBHGGCJVCN-UHFFFAOYSA-N 2 1 294.443 2.101 20 0 CEADMP O[C@@H](C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000878744532 651177712 /nfs/dbraw/zinc/17/77/12/651177712.db2.gz UASGMMVMFCJPTR-SFHVURJKSA-N 2 1 297.402 2.327 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCC2CC2)CCO1 ZINC000879000525 651226481 /nfs/dbraw/zinc/22/64/81/651226481.db2.gz GFHGROQETWYXQC-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP COCC[N@@H+](Cc1nc(C)c(C)o1)CC1CC[NH+](C)CC1 ZINC000879125349 651247324 /nfs/dbraw/zinc/24/73/24/651247324.db2.gz ZOXDDMRWBDICRA-UHFFFAOYSA-N 2 1 295.427 2.082 20 0 CEADMP COCC[N@H+](Cc1nc(C)c(C)o1)CC1CC[NH+](C)CC1 ZINC000879125349 651247327 /nfs/dbraw/zinc/24/73/27/651247327.db2.gz ZOXDDMRWBDICRA-UHFFFAOYSA-N 2 1 295.427 2.082 20 0 CEADMP CCCCC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879124879 651247445 /nfs/dbraw/zinc/24/74/45/651247445.db2.gz HMYAWMBXWRTDFH-UHFFFAOYSA-N 2 1 256.434 2.467 20 0 CEADMP CCc1nnc([C@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)[nH]1 ZINC000879250476 651270025 /nfs/dbraw/zinc/27/00/25/651270025.db2.gz FXWAWPXTHMRVEP-ZDUSSCGKSA-N 2 1 291.443 2.236 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCCn3cccn3)CC[C@H]21 ZINC000879572382 651324196 /nfs/dbraw/zinc/32/41/96/651324196.db2.gz GQNHVNGDGRTXHF-JKSUJKDBSA-N 2 1 276.428 2.079 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCCCCn3cccn3)CC[C@H]21 ZINC000879572382 651324197 /nfs/dbraw/zinc/32/41/97/651324197.db2.gz GQNHVNGDGRTXHF-JKSUJKDBSA-N 2 1 276.428 2.079 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCCCCn3cccn3)CC[C@H]21 ZINC000879572382 651324198 /nfs/dbraw/zinc/32/41/98/651324198.db2.gz GQNHVNGDGRTXHF-JKSUJKDBSA-N 2 1 276.428 2.079 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCCn3cccn3)CC[C@H]21 ZINC000879572382 651324199 /nfs/dbraw/zinc/32/41/99/651324199.db2.gz GQNHVNGDGRTXHF-JKSUJKDBSA-N 2 1 276.428 2.079 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCCOC(C)(C)C)CC[C@H]21 ZINC000879575859 651324671 /nfs/dbraw/zinc/32/46/71/651324671.db2.gz NMDJWMNNJYAOKK-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCCOC(C)(C)C)CC[C@H]21 ZINC000879575859 651324673 /nfs/dbraw/zinc/32/46/73/651324673.db2.gz NMDJWMNNJYAOKK-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCCOC(C)(C)C)CC[C@H]21 ZINC000879575859 651324675 /nfs/dbraw/zinc/32/46/75/651324675.db2.gz NMDJWMNNJYAOKK-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCOC(C)(C)C)CC[C@H]21 ZINC000879575859 651324676 /nfs/dbraw/zinc/32/46/76/651324676.db2.gz NMDJWMNNJYAOKK-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1ccc([C@H](O)C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000879574278 651324703 /nfs/dbraw/zinc/32/47/03/651324703.db2.gz YXWQHJGBDDFTPH-YESZJQIVSA-N 2 1 274.408 2.054 20 0 CEADMP Cc1ccc([C@H](O)C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000879574278 651324705 /nfs/dbraw/zinc/32/47/05/651324705.db2.gz YXWQHJGBDDFTPH-YESZJQIVSA-N 2 1 274.408 2.054 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879574278 651324706 /nfs/dbraw/zinc/32/47/06/651324706.db2.gz YXWQHJGBDDFTPH-YESZJQIVSA-N 2 1 274.408 2.054 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879574278 651324707 /nfs/dbraw/zinc/32/47/07/651324707.db2.gz YXWQHJGBDDFTPH-YESZJQIVSA-N 2 1 274.408 2.054 20 0 CEADMP CCN(C)C(=O)CC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879704335 651341468 /nfs/dbraw/zinc/34/14/68/651341468.db2.gz PEMUGYHHERWSFL-UHFFFAOYSA-N 2 1 297.487 2.155 20 0 CEADMP CSC[C@H](O)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950747 651363894 /nfs/dbraw/zinc/36/38/94/651363894.db2.gz BEDLDETVLVIZPG-CQSZACIVSA-N 2 1 286.485 2.051 20 0 CEADMP COC(=O)[C@]12CCC[C@H]1[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000880183730 651396817 /nfs/dbraw/zinc/39/68/17/651396817.db2.gz YLRHFKKWVWKBSB-WBVHZDCISA-N 2 1 294.439 2.280 20 0 CEADMP COc1cncc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC000880258653 651411258 /nfs/dbraw/zinc/41/12/58/651411258.db2.gz BWOFWADJKQQRQP-AWEZNQCLSA-N 2 1 298.390 2.196 20 0 CEADMP COc1cncc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC000880258653 651411259 /nfs/dbraw/zinc/41/12/59/651411259.db2.gz BWOFWADJKQQRQP-AWEZNQCLSA-N 2 1 298.390 2.196 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000882979701 652301118 /nfs/dbraw/zinc/30/11/18/652301118.db2.gz JEOLPNMTBDSSRT-LBPRGKRZSA-N 2 1 275.400 2.464 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000882981719 652301855 /nfs/dbraw/zinc/30/18/55/652301855.db2.gz RQCNWRANVRINFW-BCDXTJNWSA-N 2 1 293.499 2.428 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883171579 652388389 /nfs/dbraw/zinc/38/83/89/652388389.db2.gz CGCLSXBTYNIMQG-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2CCC[C@]23CCCO3)CC1 ZINC000883366863 652445961 /nfs/dbraw/zinc/44/59/61/652445961.db2.gz BFEOSOCNVWSCAZ-CVEARBPZSA-N 2 1 264.413 2.305 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C2CCC3(COC3)CC2)[C@H]2CCC[C@@H]21 ZINC000883382884 652451282 /nfs/dbraw/zinc/45/12/82/652451282.db2.gz OUVISCCSNBJWKI-PMPSAXMXSA-N 2 1 278.440 2.408 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)o1 ZINC000883430456 652467131 /nfs/dbraw/zinc/46/71/31/652467131.db2.gz VPVRJBVAWZERCK-UONOGXRCSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)o1 ZINC000883430456 652467133 /nfs/dbraw/zinc/46/71/33/652467133.db2.gz VPVRJBVAWZERCK-UONOGXRCSA-N 2 1 263.385 2.255 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H]2CCC3(CCOCC3)O2)[C@@H]1C ZINC000883445897 652472546 /nfs/dbraw/zinc/47/25/46/652472546.db2.gz PEXOMDUFZVWKNU-FPCVCCKLSA-N 2 1 296.455 2.162 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)[C@@H]1C ZINC000883445897 652472548 /nfs/dbraw/zinc/47/25/48/652472548.db2.gz PEXOMDUFZVWKNU-FPCVCCKLSA-N 2 1 296.455 2.162 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H]2CC3(CO2)CCOCC3)[C@H]1C ZINC000883445567 652472882 /nfs/dbraw/zinc/47/28/82/652472882.db2.gz FJMVSNFVBRBTPW-QKPAOTATSA-N 2 1 296.455 2.020 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H]2CC3(CO2)CCOCC3)[C@H]1C ZINC000883445567 652472883 /nfs/dbraw/zinc/47/28/83/652472883.db2.gz FJMVSNFVBRBTPW-QKPAOTATSA-N 2 1 296.455 2.020 20 0 CEADMP C[NH2+][C@@H](CC(C)C)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000884180216 652743867 /nfs/dbraw/zinc/74/38/67/652743867.db2.gz QFZICRNCLOOXLF-CABCVRRESA-N 2 1 283.460 2.001 20 0 CEADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1[nH+]ccc2c1ccn2C ZINC001164642385 719175014 /nfs/dbraw/zinc/17/50/14/719175014.db2.gz YCFULWNHTXDFSY-RYUDHWBXSA-N 2 1 258.369 2.102 20 0 CEADMP C[NH+](C)[C@@H]1CCCN(c2ccc(C[N@@H+](C)C3CC3)cn2)C1 ZINC001165034888 721896940 /nfs/dbraw/zinc/89/69/40/721896940.db2.gz HSMMKNWZNWYEAR-MRXNPFEDSA-N 2 1 288.439 2.206 20 0 CEADMP C[N@H+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1(C)C ZINC001167994252 805598284 /nfs/dbraw/zinc/59/82/84/805598284.db2.gz AJCRYNFERQBIGA-SJPCQFCGSA-N 2 1 291.483 2.418 20 0 CEADMP C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1(C)C ZINC001167994252 805598288 /nfs/dbraw/zinc/59/82/88/805598288.db2.gz AJCRYNFERQBIGA-SJPCQFCGSA-N 2 1 291.483 2.418 20 0 CEADMP C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1(C)C ZINC001167994252 805598290 /nfs/dbraw/zinc/59/82/90/805598290.db2.gz AJCRYNFERQBIGA-SJPCQFCGSA-N 2 1 291.483 2.418 20 0 CEADMP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC[C@@]13CCOC3)C2 ZINC001168001333 805632858 /nfs/dbraw/zinc/63/28/58/805632858.db2.gz AODHTVFPPFZFPH-WFVVYAPDSA-N 2 1 276.424 2.257 20 0 CEADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC[C@@]13CCOC3)C2 ZINC001168001333 805632862 /nfs/dbraw/zinc/63/28/62/805632862.db2.gz AODHTVFPPFZFPH-WFVVYAPDSA-N 2 1 276.424 2.257 20 0 CEADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CC[C@@]13CCOC3)C2 ZINC001168001333 805632868 /nfs/dbraw/zinc/63/28/68/805632868.db2.gz AODHTVFPPFZFPH-WFVVYAPDSA-N 2 1 276.424 2.257 20 0 CEADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CC[C@@]13CCOC3)C2 ZINC001168001333 805632873 /nfs/dbraw/zinc/63/28/73/805632873.db2.gz AODHTVFPPFZFPH-WFVVYAPDSA-N 2 1 276.424 2.257 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCO)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168006897 805665008 /nfs/dbraw/zinc/66/50/08/805665008.db2.gz PHJKDOUUSKJANA-MIFYACCESA-N 2 1 262.397 2.010 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087567640 805752368 /nfs/dbraw/zinc/75/23/68/805752368.db2.gz ZIMXVUZNXMUMHO-ARFHVFGLSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087567640 805752371 /nfs/dbraw/zinc/75/23/71/805752371.db2.gz ZIMXVUZNXMUMHO-ARFHVFGLSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087567640 805752375 /nfs/dbraw/zinc/75/23/75/805752375.db2.gz ZIMXVUZNXMUMHO-ARFHVFGLSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840850 805812848 /nfs/dbraw/zinc/81/28/48/805812848.db2.gz QKWBXRKQNUNFRV-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001087840850 805812858 /nfs/dbraw/zinc/81/28/58/805812858.db2.gz QKWBXRKQNUNFRV-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001087840850 805812868 /nfs/dbraw/zinc/81/28/68/805812868.db2.gz QKWBXRKQNUNFRV-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CCC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001271207466 805896202 /nfs/dbraw/zinc/89/62/02/805896202.db2.gz MXMCASRLSCXQBH-YVDRWBGASA-N 2 1 295.471 2.121 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC001168092938 806147302 /nfs/dbraw/zinc/14/73/02/806147302.db2.gz JYTDEHPUWBSNJH-KBMXLJTQSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC001168092938 806147305 /nfs/dbraw/zinc/14/73/05/806147305.db2.gz JYTDEHPUWBSNJH-KBMXLJTQSA-N 2 1 266.429 2.408 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001088493186 806313956 /nfs/dbraw/zinc/31/39/56/806313956.db2.gz CFXAXCGKVNROMR-VNQPRFMTSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088493186 806313966 /nfs/dbraw/zinc/31/39/66/806313966.db2.gz CFXAXCGKVNROMR-VNQPRFMTSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001088493186 806313976 /nfs/dbraw/zinc/31/39/76/806313976.db2.gz CFXAXCGKVNROMR-VNQPRFMTSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@@H+]1CC=C(c2cnc(-n3cc(C[NH3+])cn3)c(C)c2)CC1 ZINC001168256947 806448173 /nfs/dbraw/zinc/44/81/73/806448173.db2.gz KETJEZJJFVHMJF-UHFFFAOYSA-N 2 1 297.406 2.143 20 0 CEADMP CN1CCC([N@@H+](C)Cc2ccc(Br)cn2)CC1 ZINC000168396812 806459499 /nfs/dbraw/zinc/45/94/99/806459499.db2.gz MJCKXIQTMULZGU-UHFFFAOYSA-N 2 1 298.228 2.370 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1C ZINC001088605635 806505039 /nfs/dbraw/zinc/50/50/39/806505039.db2.gz YTWJFRUVXUSNDB-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H]1C ZINC001088605635 806505045 /nfs/dbraw/zinc/50/50/45/806505045.db2.gz YTWJFRUVXUSNDB-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H]1C ZINC001088605635 806505051 /nfs/dbraw/zinc/50/50/51/806505051.db2.gz YTWJFRUVXUSNDB-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)CC[C@]1(C)O ZINC001168315256 806648295 /nfs/dbraw/zinc/64/82/95/806648295.db2.gz SXZNVHVUBINDLC-LMPOIIKSSA-N 2 1 268.445 2.342 20 0 CEADMP Cc1noc([C@@H]2CCC[N@@H+]2C2CCC([NH+](C)C)CC2)n1 ZINC001168327558 806655541 /nfs/dbraw/zinc/65/55/41/806655541.db2.gz OOBTYRZBHUWIKZ-RUXDESIVSA-N 2 1 278.400 2.388 20 0 CEADMP C[NH+](C)C1CCC([N@@H+]2CCc3ccc(=O)[nH]c3CC2)CC1 ZINC001168326713 806656077 /nfs/dbraw/zinc/65/60/77/806656077.db2.gz DVTOMBURWMXIEK-UHFFFAOYSA-N 2 1 289.423 2.061 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@@]3(C2)CCCOC3)CC1 ZINC001168326984 806657055 /nfs/dbraw/zinc/65/70/55/806657055.db2.gz HNYQSFIUVDWREK-UYSNPLJNSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)[C@H]1COCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168327917 806657283 /nfs/dbraw/zinc/65/72/83/806657283.db2.gz SWVWLYXOEFDFFL-YMAMQOFZSA-N 2 1 254.418 2.216 20 0 CEADMP Cc1nnc([C@@H]2CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)o1 ZINC001168329646 806657976 /nfs/dbraw/zinc/65/79/76/806657976.db2.gz YWCVNNWAZPYJLJ-WLYUNCDWSA-N 2 1 292.427 2.430 20 0 CEADMP CC(=O)[C@@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168328195 806658882 /nfs/dbraw/zinc/65/88/82/806658882.db2.gz ZCKUCQIAAGOPNB-WLYUNCDWSA-N 2 1 252.402 2.160 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001168346437 806668288 /nfs/dbraw/zinc/66/82/88/806668288.db2.gz ZFXAVGIZQPCJEH-UHFFFAOYSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@]1(O)CCCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168371105 806948615 /nfs/dbraw/zinc/94/86/15/806948615.db2.gz DIFCFHZMARFGQH-INIZCTEOSA-N 2 1 266.429 2.098 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCc3ccccc3CC2)C1 ZINC001208605524 802388002 /nfs/dbraw/zinc/38/80/02/802388002.db2.gz BPUKCWBECWCLSE-OAHLLOKOSA-N 2 1 258.409 2.429 20 0 CEADMP CC[N@H+]1C[C@@H]2C[NH+](C[C@H](C)C(F)(F)F)C[C@@H]2C1 ZINC001208903817 802437904 /nfs/dbraw/zinc/43/79/04/802437904.db2.gz ZAXZNMXESMILNH-GARJFASQSA-N 2 1 250.308 2.068 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@H](C)C(F)(F)F)C[C@@H]2C1 ZINC001208903817 802437912 /nfs/dbraw/zinc/43/79/12/802437912.db2.gz ZAXZNMXESMILNH-GARJFASQSA-N 2 1 250.308 2.068 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@H](C)C(F)(F)F)C[C@@H]2C1 ZINC001208903817 802437914 /nfs/dbraw/zinc/43/79/14/802437914.db2.gz ZAXZNMXESMILNH-GARJFASQSA-N 2 1 250.308 2.068 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@H](C)C(F)(F)F)C[C@@H]2C1 ZINC001208903817 802437923 /nfs/dbraw/zinc/43/79/23/802437923.db2.gz ZAXZNMXESMILNH-GARJFASQSA-N 2 1 250.308 2.068 20 0 CEADMP CCOC(=O)c1ccccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206811944 802487769 /nfs/dbraw/zinc/48/77/69/802487769.db2.gz XBZTUFMFEVSZQI-UONOGXRCSA-N 2 1 290.407 2.423 20 0 CEADMP CCOC(=O)c1ccccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206811944 802487771 /nfs/dbraw/zinc/48/77/71/802487771.db2.gz XBZTUFMFEVSZQI-UONOGXRCSA-N 2 1 290.407 2.423 20 0 CEADMP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001266535067 802687640 /nfs/dbraw/zinc/68/76/40/802687640.db2.gz RKCWSGYRAPRERK-UDLYIEAKSA-N 2 1 293.455 2.018 20 0 CEADMP CCC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266703598 802850619 /nfs/dbraw/zinc/85/06/19/802850619.db2.gz LEWCCLGMWJBLEZ-XTYCPRDBSA-N 2 1 293.455 2.064 20 0 CEADMP CCCc1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)cs1 ZINC000723713933 802927986 /nfs/dbraw/zinc/92/79/86/802927986.db2.gz XQJIUUHQPVPWCA-NSHDSACASA-N 2 1 253.415 2.266 20 0 CEADMP C[C@@H]1CC[C@@H](N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000398997367 802932807 /nfs/dbraw/zinc/93/28/07/802932807.db2.gz QKSGHWCYWHSZBR-KBAYOESNSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1CC[NH3+] ZINC000723910535 802967200 /nfs/dbraw/zinc/96/72/00/802967200.db2.gz VFMKMYZZBWSYEM-RKDXNWHRSA-N 2 1 259.806 2.213 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1CC[NH3+] ZINC000723910535 802967206 /nfs/dbraw/zinc/96/72/06/802967206.db2.gz VFMKMYZZBWSYEM-RKDXNWHRSA-N 2 1 259.806 2.213 20 0 CEADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@H]1CCCOC1 ZINC000723974539 802980136 /nfs/dbraw/zinc/98/01/36/802980136.db2.gz AETOKIMFBDSRFJ-DZGCQCFKSA-N 2 1 265.401 2.148 20 0 CEADMP C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1CC1 ZINC001132436160 812851276 /nfs/dbraw/zinc/85/12/76/812851276.db2.gz JFDYDLQPCWQPKV-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cccc(O[C@@H]2CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)n1 ZINC001207285156 803130732 /nfs/dbraw/zinc/13/07/32/803130732.db2.gz YTLNIPAZZUFKMV-OAHLLOKOSA-N 2 1 291.439 2.431 20 0 CEADMP Cc1cccc(O[C@@H]2CC[N@H+](CC(C)(C)C[NH+](C)C)C2)n1 ZINC001207285156 803130735 /nfs/dbraw/zinc/13/07/35/803130735.db2.gz YTLNIPAZZUFKMV-OAHLLOKOSA-N 2 1 291.439 2.431 20 0 CEADMP CC1(C)CC([NH3+])CC(C)(C)N1c1nc2[nH]ccc2c[nH+]1 ZINC001167624761 803212971 /nfs/dbraw/zinc/21/29/71/803212971.db2.gz AUQQQCOCJQKXSS-UHFFFAOYSA-N 2 1 273.384 2.394 20 0 CEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C/C=C\Cl)[C@H](C)C1 ZINC000588560091 803229508 /nfs/dbraw/zinc/22/95/08/803229508.db2.gz LLRBXRUJCNSOLT-ZVSVUTOMSA-N 2 1 274.836 2.466 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C\Cl)[C@H](C)C1 ZINC000588560091 803229518 /nfs/dbraw/zinc/22/95/18/803229518.db2.gz LLRBXRUJCNSOLT-ZVSVUTOMSA-N 2 1 274.836 2.466 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCCC[NH3+] ZINC001217884574 803485311 /nfs/dbraw/zinc/48/53/11/803485311.db2.gz QONYDOPVHWXKKT-ZBFHGGJFSA-N 2 1 262.397 2.262 20 0 CEADMP CCc1noc([C@@H]2CCC[N@@H+](CC3CC[NH+](C)CC3)C2)n1 ZINC001207398746 803487986 /nfs/dbraw/zinc/48/79/86/803487986.db2.gz MLFLHHHCUPVOQM-CQSZACIVSA-N 2 1 292.427 2.153 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1COCC1(C)C ZINC000313115474 803676442 /nfs/dbraw/zinc/67/64/42/803676442.db2.gz IBBQUNOUKDGKDC-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CCCCc1ncc(CN2C[C@H]3CCC[N@H+](C)[C@@H]3C2)[nH]1 ZINC001141074086 803702134 /nfs/dbraw/zinc/70/21/34/803702134.db2.gz WWLQABDCJPVUBB-UKRRQHHQSA-N 2 1 276.428 2.278 20 0 CEADMP CCCCc1ncc(CN2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)[nH]1 ZINC001141074086 803702138 /nfs/dbraw/zinc/70/21/38/803702138.db2.gz WWLQABDCJPVUBB-UKRRQHHQSA-N 2 1 276.428 2.278 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715516013 814970227 /nfs/dbraw/zinc/97/02/27/814970227.db2.gz CCFMLYIKQMGMJM-CFVMTHIKSA-N 2 1 252.402 2.005 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001267961213 803852117 /nfs/dbraw/zinc/85/21/17/803852117.db2.gz ZBHVAHLGNXVORD-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP c1cnc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000299929391 803921985 /nfs/dbraw/zinc/92/19/85/803921985.db2.gz QHNOMKXCEWXJSC-ILXRZTDVSA-N 2 1 257.381 2.285 20 0 CEADMP c1cnc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000299929391 803921996 /nfs/dbraw/zinc/92/19/96/803921996.db2.gz QHNOMKXCEWXJSC-ILXRZTDVSA-N 2 1 257.381 2.285 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cs1 ZINC000715577462 814980298 /nfs/dbraw/zinc/98/02/98/814980298.db2.gz BKNFXGHIMXIUJM-STQMWFEESA-N 2 1 296.436 2.497 20 0 CEADMP Cc1cc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000715686910 814986338 /nfs/dbraw/zinc/98/63/38/814986338.db2.gz OEJLKQDPFQFYDV-AWEZNQCLSA-N 2 1 283.379 2.054 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001027433417 804074982 /nfs/dbraw/zinc/07/49/82/804074982.db2.gz YPMUMMBKXFGEKT-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001027433417 804074990 /nfs/dbraw/zinc/07/49/90/804074990.db2.gz YPMUMMBKXFGEKT-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001027433417 804075003 /nfs/dbraw/zinc/07/50/03/804075003.db2.gz YPMUMMBKXFGEKT-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCc2ccc(F)cc2F)C1 ZINC001118242268 814997421 /nfs/dbraw/zinc/99/74/21/814997421.db2.gz DCJUSJRHJMPGOA-AWEZNQCLSA-N 2 1 254.324 2.178 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H]1CC[C@@H](C2CC2)O1 ZINC000722327208 804292677 /nfs/dbraw/zinc/29/26/77/804292677.db2.gz ZGUJDGBMWCWGQZ-BMRXWSCTSA-N 2 1 264.413 2.288 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)C1CCN(C(C)=O)CC1 ZINC001167826991 804388306 /nfs/dbraw/zinc/38/83/06/804388306.db2.gz STNZIPBEZVMCEN-HNNXBMFYSA-N 2 1 297.487 2.440 20 0 CEADMP FC(F)(F)[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)O1 ZINC000722400229 804424897 /nfs/dbraw/zinc/42/48/97/804424897.db2.gz DFKSEUBPCNTHDX-OLZOCXBDSA-N 2 1 292.345 2.313 20 0 CEADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC001167897176 804588837 /nfs/dbraw/zinc/58/88/37/804588837.db2.gz HVPGNVPVZGPYCZ-BCDXTJNWSA-N 2 1 286.419 2.407 20 0 CEADMP CC(C)[S@](=O)c1ccc(NC(=[NH2+])SCC[NH3+])cc1 ZINC001167915617 804717147 /nfs/dbraw/zinc/71/71/47/804717147.db2.gz VSJFDZXUHQFJDI-SFHVURJKSA-N 2 1 285.438 2.241 20 0 CEADMP CCCCCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001284133722 804799906 /nfs/dbraw/zinc/79/99/06/804799906.db2.gz ZTBMSKIIXOTUPL-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP C[N@@H+](CCc1cccnc1)C1CC[NH+](CC2CC2)CC1 ZINC001168388187 807046187 /nfs/dbraw/zinc/04/61/87/807046187.db2.gz BPSUZFMVAFWTIN-UHFFFAOYSA-N 2 1 273.424 2.430 20 0 CEADMP CCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001269288216 805114008 /nfs/dbraw/zinc/11/40/08/805114008.db2.gz RRYKOECKCUUYRL-JKSUJKDBSA-N 2 1 297.487 2.440 20 0 CEADMP CCCC[NH2+]CCC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001269951702 805295144 /nfs/dbraw/zinc/29/51/44/805295144.db2.gz MAFNONCJBUWXPU-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP CCCC[NH2+][C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001270003604 805306992 /nfs/dbraw/zinc/30/69/92/805306992.db2.gz BODYFTGOBOYLBT-SHTZXODSSA-N 2 1 292.427 2.009 20 0 CEADMP O[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167961114 805347680 /nfs/dbraw/zinc/34/76/80/805347680.db2.gz FKZZFMNKLKZGMF-MKXAEBJUSA-N 2 1 278.440 2.142 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971574 805499341 /nfs/dbraw/zinc/49/93/41/805499341.db2.gz YZHUHKIHLXXNRD-DNUGQZQRSA-N 2 1 278.440 2.406 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CC)CC1 ZINC001029105790 805535959 /nfs/dbraw/zinc/53/59/59/805535959.db2.gz CBAFHSAOCHUHAM-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C1CCOCC1)C1CCN(CC2CC2)CC1 ZINC001168393179 807066910 /nfs/dbraw/zinc/06/69/10/807066910.db2.gz YPAMJSJZCJUFSZ-UHFFFAOYSA-N 2 1 266.429 2.362 20 0 CEADMP CC[N@H+](C1CCOCC1)C1CC[NH+](CC2CC2)CC1 ZINC001168393179 807066918 /nfs/dbraw/zinc/06/69/18/807066918.db2.gz YPAMJSJZCJUFSZ-UHFFFAOYSA-N 2 1 266.429 2.362 20 0 CEADMP CC[N@@H+](C1CCOCC1)C1CC[NH+](CC2CC2)CC1 ZINC001168393179 807066924 /nfs/dbraw/zinc/06/69/24/807066924.db2.gz YPAMJSJZCJUFSZ-UHFFFAOYSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716303928 815111988 /nfs/dbraw/zinc/11/19/88/815111988.db2.gz XXAXAAALKZPWIB-HUUCEWRRSA-N 2 1 266.429 2.267 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)CO2)CC[C@@H]1[NH3+] ZINC000716279714 815109600 /nfs/dbraw/zinc/10/96/00/815109600.db2.gz SQWWWWUASWWWMN-KFWWJZLASA-N 2 1 266.429 2.395 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000721961749 807378656 /nfs/dbraw/zinc/37/86/56/807378656.db2.gz LFBOCRIIBFTMOK-CWRNSKLLSA-N 2 1 266.429 2.123 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCC3(CCC3)CO1)C2 ZINC000716313817 815113608 /nfs/dbraw/zinc/11/36/08/815113608.db2.gz YRVKWGVIKPUFPL-UXLLHSPISA-N 2 1 278.440 2.397 20 0 CEADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000716320934 815114609 /nfs/dbraw/zinc/11/46/09/815114609.db2.gz UIMARXFDJIAMBJ-OAGGEKHMSA-N 2 1 278.440 2.410 20 0 CEADMP CC[NH+](CC)CCC(=O)N1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001272400988 807457411 /nfs/dbraw/zinc/45/74/11/807457411.db2.gz IYEIDHSXONUUMA-KRWDZBQOSA-N 2 1 295.471 2.053 20 0 CEADMP CCC(CC)C[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001272423718 807477121 /nfs/dbraw/zinc/47/71/21/807477121.db2.gz JMQDVNAGLAEREE-KRWDZBQOSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1cccc2c(C[N@H+]3CCC[C@@H]([NH3+])CC3)[nH]nc21 ZINC001205101843 807634862 /nfs/dbraw/zinc/63/48/62/807634862.db2.gz MHLDVIAUOWNQQG-GFCCVEGCSA-N 2 1 258.369 2.185 20 0 CEADMP CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCOC1 ZINC000699260848 807664039 /nfs/dbraw/zinc/66/40/39/807664039.db2.gz PPHURWGIAAPFQV-DKUMPPAJSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699283435 807670691 /nfs/dbraw/zinc/67/06/91/807670691.db2.gz SCXUSUQHCAUWGN-VAQLIOGMSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@](C)(C(F)F)O1 ZINC000699311110 807679471 /nfs/dbraw/zinc/67/94/71/807679471.db2.gz JCTCRTGWJWUYCK-JXODSGKVSA-N 2 1 288.382 2.262 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672024 807807556 /nfs/dbraw/zinc/80/75/56/807807556.db2.gz ABCBQKOJWRWULA-HUUCEWRRSA-N 2 1 297.487 2.057 20 0 CEADMP CCCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001031235177 807820791 /nfs/dbraw/zinc/82/07/91/807820791.db2.gz PJYDYFGLHQNMCF-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001031235177 807820800 /nfs/dbraw/zinc/82/08/00/807820800.db2.gz PJYDYFGLHQNMCF-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235391320 807825313 /nfs/dbraw/zinc/82/53/13/807825313.db2.gz FMBUABMSOHQODB-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235391320 807825322 /nfs/dbraw/zinc/82/53/22/807825322.db2.gz FMBUABMSOHQODB-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(C)c(OC)cc2C)C1 ZINC001236067216 807958209 /nfs/dbraw/zinc/95/82/09/807958209.db2.gz OCXYJSUZIZYIDM-CQSZACIVSA-N 2 1 262.397 2.353 20 0 CEADMP COc1ccc(C[C@@H]2CCC[N@H+](C[C@H](C)[NH3+])C2)cc1 ZINC001236092171 807972571 /nfs/dbraw/zinc/97/25/71/807972571.db2.gz HXFLLDBRGPIVHJ-ZFWWWQNUSA-N 2 1 262.397 2.297 20 0 CEADMP COc1ccc(C[C@@H]2CCC[N@@H+](C[C@H](C)[NH3+])C2)cc1 ZINC001236092171 807972573 /nfs/dbraw/zinc/97/25/73/807972573.db2.gz HXFLLDBRGPIVHJ-ZFWWWQNUSA-N 2 1 262.397 2.297 20 0 CEADMP CCOC(=O)c1ccc(CCC[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC001236885819 808183162 /nfs/dbraw/zinc/18/31/62/808183162.db2.gz SYQWJYWEDZJJKJ-ZDUSSCGKSA-N 2 1 278.396 2.075 20 0 CEADMP CCOC(=O)c1ccc(CCC[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC001236885819 808183167 /nfs/dbraw/zinc/18/31/67/808183167.db2.gz SYQWJYWEDZJJKJ-ZDUSSCGKSA-N 2 1 278.396 2.075 20 0 CEADMP CC(C)CCCC[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001120026776 815189482 /nfs/dbraw/zinc/18/94/82/815189482.db2.gz JPLGLMTWWKXKBC-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)CCCC[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001120026776 815189486 /nfs/dbraw/zinc/18/94/86/815189486.db2.gz JPLGLMTWWKXKBC-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP CCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107042304 808322149 /nfs/dbraw/zinc/32/21/49/808322149.db2.gz FYULHLXPBANHCH-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP Cc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C)C1)C2 ZINC001171552582 815195466 /nfs/dbraw/zinc/19/54/66/815195466.db2.gz ZWUCMNAFXRAQBR-GOEBONIOSA-N 2 1 258.409 2.394 20 0 CEADMP C[NH+]1C(C)(C)CC([NH2+]C[C@H](O)c2ccccn2)CC1(C)C ZINC001171623136 815205970 /nfs/dbraw/zinc/20/59/70/815205970.db2.gz LRMOPLIWTCIPFO-HNNXBMFYSA-N 2 1 291.439 2.356 20 0 CEADMP CCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107596608 808466488 /nfs/dbraw/zinc/46/64/88/808466488.db2.gz KROXWYCGFQCPSM-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001107596608 808466494 /nfs/dbraw/zinc/46/64/94/808466494.db2.gz KROXWYCGFQCPSM-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CC[C@@]2(CNC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001107596608 808466498 /nfs/dbraw/zinc/46/64/98/808466498.db2.gz KROXWYCGFQCPSM-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP COC(=O)CC1C[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171639724 815214285 /nfs/dbraw/zinc/21/42/85/815214285.db2.gz QTLFVDSQEFRZOI-UHFFFAOYSA-N 2 1 282.428 2.133 20 0 CEADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@](O)(C[NH3+])CC2)CC1 ZINC001205208444 808547544 /nfs/dbraw/zinc/54/75/44/808547544.db2.gz CNZQBGADAAYFRB-ARFHVFGLSA-N 2 1 266.429 2.155 20 0 CEADMP C[C@H]1C[C@H](N(C)CC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001171747206 815223573 /nfs/dbraw/zinc/22/35/73/815223573.db2.gz XXJQIJJIUKCKMA-RDJZCZTQSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@H]1C[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171746884 815223657 /nfs/dbraw/zinc/22/36/57/815223657.db2.gz UCVGNYXLAVUAJM-QSPRXWTASA-N 2 1 273.424 2.119 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CN1Cc1ccccc1 ZINC001171746884 815223664 /nfs/dbraw/zinc/22/36/64/815223664.db2.gz UCVGNYXLAVUAJM-QSPRXWTASA-N 2 1 273.424 2.119 20 0 CEADMP C[C@@H]1C[C@H](N2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC001171762316 815226629 /nfs/dbraw/zinc/22/66/29/815226629.db2.gz IYZMTXHSOOBCLZ-NUJGCVRESA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1C[C@H](N2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC001171762316 815226632 /nfs/dbraw/zinc/22/66/32/815226632.db2.gz IYZMTXHSOOBCLZ-NUJGCVRESA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1C[C@H](N2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC001171762316 815226635 /nfs/dbraw/zinc/22/66/35/815226635.db2.gz IYZMTXHSOOBCLZ-NUJGCVRESA-N 2 1 287.451 2.285 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001171762580 815227553 /nfs/dbraw/zinc/22/75/53/815227553.db2.gz GVOCGHCZMLUYSZ-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171776095 815231374 /nfs/dbraw/zinc/23/13/74/815231374.db2.gz OIGYEIITCOAFSD-KBPBESRZSA-N 2 1 262.372 2.367 20 0 CEADMP C[NH+]1CCN(c2cccc(Nc3ccc[nH+]c3N)c2)CC1 ZINC001212399946 808744314 /nfs/dbraw/zinc/74/43/14/808744314.db2.gz OGOVTKYNFVGOBO-UHFFFAOYSA-N 2 1 283.379 2.159 20 0 CEADMP COC[C@H](C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C(C)C ZINC000721920957 808857190 /nfs/dbraw/zinc/85/71/90/808857190.db2.gz QYKSLRHUSDRPOP-RWMBFGLXSA-N 2 1 296.377 2.364 20 0 CEADMP CC1(C)C[C@H](N2CC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001171968500 815253858 /nfs/dbraw/zinc/25/38/58/815253858.db2.gz QPNBFBFIGIFQMM-IAGOWNOFSA-N 2 1 287.451 2.463 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)o1 ZINC001206152822 815259419 /nfs/dbraw/zinc/25/94/19/815259419.db2.gz BEURYZUZXAVYAB-KGLIPLIRSA-N 2 1 254.349 2.282 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)o1 ZINC001206152822 815259423 /nfs/dbraw/zinc/25/94/23/815259423.db2.gz BEURYZUZXAVYAB-KGLIPLIRSA-N 2 1 254.349 2.282 20 0 CEADMP CCCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320311 809266750 /nfs/dbraw/zinc/26/67/50/809266750.db2.gz UVTKGEOBNOBZHO-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC001204081433 815280187 /nfs/dbraw/zinc/28/01/87/815280187.db2.gz FFEHBVXFQRVTHC-HNNXBMFYSA-N 2 1 269.348 2.438 20 0 CEADMP Cc1cnccc1O[C@H]1CCN(Cc2ccncc2)C1 ZINC001204081433 815280190 /nfs/dbraw/zinc/28/01/90/815280190.db2.gz FFEHBVXFQRVTHC-HNNXBMFYSA-N 2 1 269.348 2.438 20 0 CEADMP CC(C)c1cnc(C[N@@H+](C)C2CCC([NH3+])CC2)o1 ZINC000700794122 809348059 /nfs/dbraw/zinc/34/80/59/809348059.db2.gz YJFMKEHZBULUMD-UHFFFAOYSA-N 2 1 251.374 2.500 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1cccnc1)C2 ZINC001172100851 815283980 /nfs/dbraw/zinc/28/39/80/815283980.db2.gz SVZWMAWWTDJHMA-PHZGNYQRSA-N 2 1 259.397 2.229 20 0 CEADMP C[C@@H](C[NH+]1CCCC1)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100181 815284360 /nfs/dbraw/zinc/28/43/60/815284360.db2.gz APFWTYFUIXODTJ-JONQDZQNSA-N 2 1 265.445 2.076 20 0 CEADMP Cc1noc([C@@H]2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172127392 815287563 /nfs/dbraw/zinc/28/75/63/815287563.db2.gz JBGAVCRDOSUOBJ-APIJFGDWSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1noc([C@@H]2CC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172127392 815287566 /nfs/dbraw/zinc/28/75/66/815287566.db2.gz JBGAVCRDOSUOBJ-APIJFGDWSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1noc([C@@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172127392 815287569 /nfs/dbraw/zinc/28/75/69/815287569.db2.gz JBGAVCRDOSUOBJ-APIJFGDWSA-N 2 1 290.411 2.183 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1C(C)(C)O)C2 ZINC001172128389 815289036 /nfs/dbraw/zinc/28/90/36/815289036.db2.gz RRRSDONHWZUDRY-XGUBFFRZSA-N 2 1 266.429 2.237 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1C(C)(C)O)C2 ZINC001172128389 815289040 /nfs/dbraw/zinc/28/90/40/815289040.db2.gz RRRSDONHWZUDRY-XGUBFFRZSA-N 2 1 266.429 2.237 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1C(C)(C)O)C2 ZINC001172128389 815289043 /nfs/dbraw/zinc/28/90/43/815289043.db2.gz RRRSDONHWZUDRY-XGUBFFRZSA-N 2 1 266.429 2.237 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H]1C(C)(C)O)C2 ZINC001172128389 815289046 /nfs/dbraw/zinc/28/90/46/815289046.db2.gz RRRSDONHWZUDRY-XGUBFFRZSA-N 2 1 266.429 2.237 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCCCO1)C2 ZINC001172103503 815294975 /nfs/dbraw/zinc/29/49/75/815294975.db2.gz VPATYSHCLFWNSG-APIJFGDWSA-N 2 1 252.402 2.160 20 0 CEADMP CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034288342 809571730 /nfs/dbraw/zinc/57/17/30/809571730.db2.gz NPQALICPBACQGR-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034288342 809571736 /nfs/dbraw/zinc/57/17/36/809571736.db2.gz NPQALICPBACQGR-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034288342 809571738 /nfs/dbraw/zinc/57/17/38/809571738.db2.gz NPQALICPBACQGR-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1c3ccccc3NC1=O)C2 ZINC001172111821 815299752 /nfs/dbraw/zinc/29/97/52/815299752.db2.gz WNOOZIMJVXZAON-HGTKMLMNSA-N 2 1 299.418 2.327 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113578 815303230 /nfs/dbraw/zinc/30/32/30/815303230.db2.gz DPRXHXGRRMLSFE-LJIZCISZSA-N 2 1 294.439 2.323 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113578 815303236 /nfs/dbraw/zinc/30/32/36/815303236.db2.gz DPRXHXGRRMLSFE-LJIZCISZSA-N 2 1 294.439 2.323 20 0 CEADMP C[N@H+]1C[C@@H]2CC[C@H](Nc3cc[nH+]c4ccccc34)[C@H]2C1 ZINC001121008815 815305113 /nfs/dbraw/zinc/30/51/13/815305113.db2.gz SJOHAIDCDXHMKM-NOLJZWGESA-N 2 1 267.376 2.409 20 0 CEADMP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001034672401 809657361 /nfs/dbraw/zinc/65/73/61/809657361.db2.gz MOTKOGBFISADIN-BZUAXINKSA-N 2 1 295.471 2.144 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1C[C@@H]3C[C@@H]3[C@@H](F)C1)C2 ZINC001172120666 815308479 /nfs/dbraw/zinc/30/84/79/815308479.db2.gz LJCQQQVPCQWYQL-SAAWNECCSA-N 2 1 252.377 2.292 20 0 CEADMP CC(C)[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172120188 815308638 /nfs/dbraw/zinc/30/86/38/815308638.db2.gz AEQSJHTZHPJIGV-FZKCQIBNSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001172120188 815308644 /nfs/dbraw/zinc/30/86/44/815308644.db2.gz AEQSJHTZHPJIGV-FZKCQIBNSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001172120188 815308650 /nfs/dbraw/zinc/30/86/50/815308650.db2.gz AEQSJHTZHPJIGV-FZKCQIBNSA-N 2 1 266.429 2.359 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](CO)CC1)C2 ZINC001172119776 815309341 /nfs/dbraw/zinc/30/93/41/815309341.db2.gz HWDYPDYHBVUNRT-LVQVYYBASA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](CO)CC1)C2 ZINC001172119776 815309347 /nfs/dbraw/zinc/30/93/47/815309347.db2.gz HWDYPDYHBVUNRT-LVQVYYBASA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](CO)CC1)C2 ZINC001172119776 815309353 /nfs/dbraw/zinc/30/93/53/815309353.db2.gz HWDYPDYHBVUNRT-LVQVYYBASA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H](CO)CC1)C2 ZINC001172119776 815309360 /nfs/dbraw/zinc/30/93/60/815309360.db2.gz HWDYPDYHBVUNRT-LVQVYYBASA-N 2 1 266.429 2.096 20 0 CEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC001118019489 809716597 /nfs/dbraw/zinc/71/65/97/809716597.db2.gz OFSGKMKQBVBYHM-LBPRGKRZSA-N 2 1 276.359 2.099 20 0 CEADMP CC(C)[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001034959096 809725480 /nfs/dbraw/zinc/72/54/80/809725480.db2.gz RJXASFFEGHUJHH-JKSUJKDBSA-N 2 1 295.471 2.238 20 0 CEADMP Cc1cccc(CC[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206157449 815312681 /nfs/dbraw/zinc/31/26/81/815312681.db2.gz YQLJWWKSPFWJFA-LSDHHAIUSA-N 2 1 250.361 2.299 20 0 CEADMP Cc1cccc(CC[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1 ZINC001206157449 815312687 /nfs/dbraw/zinc/31/26/87/815312687.db2.gz YQLJWWKSPFWJFA-LSDHHAIUSA-N 2 1 250.361 2.299 20 0 CEADMP COC(=O)C1(C)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172124247 815314526 /nfs/dbraw/zinc/31/45/26/815314526.db2.gz JTWXOOJJTRJVLP-FICVDOATSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)C1(C)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172124247 815314531 /nfs/dbraw/zinc/31/45/31/815314531.db2.gz JTWXOOJJTRJVLP-FICVDOATSA-N 2 1 294.439 2.277 20 0 CEADMP C(C[C@H]1CCSC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000704918994 809763195 /nfs/dbraw/zinc/76/31/95/809763195.db2.gz PCCPHZBGRLBAKE-BFHYXJOUSA-N 2 1 254.443 2.346 20 0 CEADMP COC(=O)C1(C)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172124248 815314724 /nfs/dbraw/zinc/31/47/24/815314724.db2.gz JTWXOOJJTRJVLP-QDMKHBRRSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)C1(C)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172124248 815314729 /nfs/dbraw/zinc/31/47/29/815314729.db2.gz JTWXOOJJTRJVLP-QDMKHBRRSA-N 2 1 294.439 2.277 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172190294 815318467 /nfs/dbraw/zinc/31/84/67/815318467.db2.gz JPGLUNYSDOCASM-AWEZNQCLSA-N 2 1 273.405 2.498 20 0 CEADMP CC[C@@]1(C)COCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000707192491 809884682 /nfs/dbraw/zinc/88/46/82/809884682.db2.gz BOYVHOPZCYBZDI-DKUMPPAJSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000708347227 809927575 /nfs/dbraw/zinc/92/75/75/809927575.db2.gz IMFZCCJZMMIYMY-ZOBORPQBSA-N 2 1 254.418 2.107 20 0 CEADMP C[C@H]1COC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708536627 809945235 /nfs/dbraw/zinc/94/52/35/809945235.db2.gz FBAHICOFDYYSMX-FZCLSBEQSA-N 2 1 288.435 2.379 20 0 CEADMP C[N@@H+](C[C@H]1CC(C)(C)OC1(C)C)C1CC[NH2+]CC1 ZINC000709702077 809952862 /nfs/dbraw/zinc/95/28/62/809952862.db2.gz JSEREFTUSDBLFT-GFCCVEGCSA-N 2 1 254.418 2.264 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C(C)(C)O1 ZINC000709757276 809956263 /nfs/dbraw/zinc/95/62/63/809956263.db2.gz YZNFPIFCISZIBJ-HEHGZKQESA-N 2 1 266.429 2.121 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@H](OC3CCC3)C2)CCC[NH2+]C1 ZINC000709363197 809960699 /nfs/dbraw/zinc/96/06/99/809960699.db2.gz JGIQHEJKVXRSKB-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709851143 809973413 /nfs/dbraw/zinc/97/34/13/809973413.db2.gz XODVICVSBBSHJP-HZPDHXFCSA-N 2 1 266.429 2.003 20 0 CEADMP Cc1cc(C)cc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000710368794 809987011 /nfs/dbraw/zinc/98/70/11/809987011.db2.gz MHDNEFZPUXCWLX-DMRKSPOLSA-N 2 1 256.393 2.389 20 0 CEADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000710692164 809988909 /nfs/dbraw/zinc/98/89/09/809988909.db2.gz BRCXDTVFCYMWGG-CABCVRRESA-N 2 1 283.460 2.132 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](c3nccs3)C2)CC[NH2+]1 ZINC000710480423 809989173 /nfs/dbraw/zinc/98/91/73/809989173.db2.gz FBDOOLSFURWPMD-UPJWGTAASA-N 2 1 265.426 2.321 20 0 CEADMP c1csc([C@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000710578608 810000708 /nfs/dbraw/zinc/00/07/08/810000708.db2.gz WFZVHPQUPKXYDZ-NSHDSACASA-N 2 1 251.399 2.075 20 0 CEADMP c1csc([C@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000710578608 810000716 /nfs/dbraw/zinc/00/07/16/810000716.db2.gz WFZVHPQUPKXYDZ-NSHDSACASA-N 2 1 251.399 2.075 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@@H](O)CC1CCCC1)CC[NH2+]CC2 ZINC000923383901 810090195 /nfs/dbraw/zinc/09/01/95/810090195.db2.gz OBYATLVXXJFQQE-ZBFHGGJFSA-N 2 1 280.456 2.392 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@@H](O)c1ccc(F)cc1)CC[NH2+]CC2 ZINC000923384476 810090920 /nfs/dbraw/zinc/09/09/20/810090920.db2.gz YMVPVIFKJAYCHL-XJKSGUPXSA-N 2 1 292.398 2.323 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000711838375 810098030 /nfs/dbraw/zinc/09/80/30/810098030.db2.gz CFVOOKJBJKGQAF-GOEBONIOSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@H+](Cc2nc(-c3cccs3)no2)CC[C@@H]1C[NH3+] ZINC000923503671 810105843 /nfs/dbraw/zinc/10/58/43/810105843.db2.gz KSRJONOHFGNMKH-GHMZBOCLSA-N 2 1 292.408 2.215 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc(-c3cccs3)no2)CC[C@@H]1C[NH3+] ZINC000923503671 810105846 /nfs/dbraw/zinc/10/58/46/810105846.db2.gz KSRJONOHFGNMKH-GHMZBOCLSA-N 2 1 292.408 2.215 20 0 CEADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172234581 815345955 /nfs/dbraw/zinc/34/59/55/815345955.db2.gz GCIHZEKLMVBLAN-ZZCJBCQWSA-N 2 1 276.424 2.454 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015706205 810338363 /nfs/dbraw/zinc/33/83/63/810338363.db2.gz OYQCDKWPECKBIA-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001015706205 810338366 /nfs/dbraw/zinc/33/83/66/810338366.db2.gz OYQCDKWPECKBIA-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015706205 810338371 /nfs/dbraw/zinc/33/83/71/810338371.db2.gz OYQCDKWPECKBIA-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCOC(C)(C)C2)CCC[C@H]1C[NH3+] ZINC001205985653 810731374 /nfs/dbraw/zinc/73/13/74/810731374.db2.gz ZGJMKPIXXCTMBB-ILXRZTDVSA-N 2 1 268.445 2.498 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](O)CC1 ZINC001258908625 810738491 /nfs/dbraw/zinc/73/84/91/810738491.db2.gz ZDGJRWSQEAOFHB-GJZGRUSLSA-N 2 1 256.434 2.344 20 0 CEADMP COC(=O)C1(C)CCC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC001168772620 811014490 /nfs/dbraw/zinc/01/44/90/811014490.db2.gz MIEZTLMHKUHOJW-RXFTYZNJSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)C1(C)CCC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC001168772620 811014496 /nfs/dbraw/zinc/01/44/96/811014496.db2.gz MIEZTLMHKUHOJW-RXFTYZNJSA-N 2 1 282.428 2.038 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C(C)C)C2)C1 ZINC001086175268 811051962 /nfs/dbraw/zinc/05/19/62/811051962.db2.gz OICBHMAJPHDSEJ-HRCADAONSA-N 2 1 295.471 2.001 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001155789885 811138415 /nfs/dbraw/zinc/13/84/15/811138415.db2.gz GUKMWRSDKPIXIL-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@H]1CN(Cc2ncc(C(F)(F)F)[nH]2)CCC[C@H]1C[NH3+] ZINC001205993154 811250104 /nfs/dbraw/zinc/25/01/04/811250104.db2.gz HKPKFINPSFEHEX-UWVGGRQHSA-N 2 1 290.333 2.235 20 0 CEADMP CC(=O)Oc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001205994371 811285083 /nfs/dbraw/zinc/28/50/83/811285083.db2.gz LEBOALBTNUBQDK-CZUORRHYSA-N 2 1 290.407 2.419 20 0 CEADMP C[NH+](C)Cc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169095750 811367776 /nfs/dbraw/zinc/36/77/76/811367776.db2.gz SQWFLCDZLOSXBV-BCDXTJNWSA-N 3 1 287.451 2.463 20 0 CEADMP C[NH+](C)Cc1cccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169095750 811367783 /nfs/dbraw/zinc/36/77/83/811367783.db2.gz SQWFLCDZLOSXBV-BCDXTJNWSA-N 2 1 287.451 2.463 20 0 CEADMP C[NH+](C)Cc1cccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169095750 811367790 /nfs/dbraw/zinc/36/77/90/811367790.db2.gz SQWFLCDZLOSXBV-BCDXTJNWSA-N 2 1 287.451 2.463 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCC[NH+]1CCCCC1)C2 ZINC001169100101 811372690 /nfs/dbraw/zinc/37/26/90/811372690.db2.gz GDGVYXBHGBXADC-MUJYYYPQSA-N 2 1 265.445 2.077 20 0 CEADMP COC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169099918 811373297 /nfs/dbraw/zinc/37/32/97/811373297.db2.gz WRZHYIYSNMHALQ-PGIBLHQWSA-N 2 1 252.402 2.159 20 0 CEADMP CC(C)[NH+]1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169092178 811384150 /nfs/dbraw/zinc/38/41/50/811384150.db2.gz ZJSCDMVYHMFZDZ-BJWYYQGGSA-N 3 1 279.472 2.322 20 0 CEADMP CC(C)[NH+]1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC001169092178 811384159 /nfs/dbraw/zinc/38/41/59/811384159.db2.gz ZJSCDMVYHMFZDZ-BJWYYQGGSA-N 2 1 279.472 2.322 20 0 CEADMP CO[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169125227 811392689 /nfs/dbraw/zinc/39/26/89/811392689.db2.gz WRZHYIYSNMHALQ-HJULLARGSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3cc(CO)ccc3C1)C2 ZINC001169124862 811392920 /nfs/dbraw/zinc/39/29/20/811392920.db2.gz FSMGHXDGPJVKQK-PIIMJCKOSA-N 2 1 286.419 2.162 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCc3cc(CO)ccc3C1)C2 ZINC001169124862 811392927 /nfs/dbraw/zinc/39/29/27/811392927.db2.gz FSMGHXDGPJVKQK-PIIMJCKOSA-N 2 1 286.419 2.162 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCc3cc(CO)ccc3C1)C2 ZINC001169124862 811392931 /nfs/dbraw/zinc/39/29/31/811392931.db2.gz FSMGHXDGPJVKQK-PIIMJCKOSA-N 2 1 286.419 2.162 20 0 CEADMP CCCc1cc(C[NH3+])nn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169107849 811401427 /nfs/dbraw/zinc/40/14/27/811401427.db2.gz LHGUCRJHOVCSNG-AGGWBTHJSA-N 2 1 262.401 2.092 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108333 811403050 /nfs/dbraw/zinc/40/30/50/811403050.db2.gz RKRYAGCRJSKNIB-FJIDUMEYSA-N 2 1 288.435 2.459 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169108890 811403135 /nfs/dbraw/zinc/40/31/35/811403135.db2.gz DVVIEKCCAXGKPX-ARKGTOAJSA-N 2 1 265.445 2.074 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169108890 811403140 /nfs/dbraw/zinc/40/31/40/811403140.db2.gz DVVIEKCCAXGKPX-ARKGTOAJSA-N 3 1 265.445 2.074 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169108890 811403149 /nfs/dbraw/zinc/40/31/49/811403149.db2.gz DVVIEKCCAXGKPX-ARKGTOAJSA-N 3 1 265.445 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1COc3ccccc3C1)C2 ZINC001169109393 811403707 /nfs/dbraw/zinc/40/37/07/811403707.db2.gz BWKDHPHXGQXLAE-DZUCGIPZSA-N 2 1 286.419 2.453 20 0 CEADMP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169109385 811404131 /nfs/dbraw/zinc/40/41/31/811404131.db2.gz BONBYGYSCDLNRN-JHJNDJDLSA-N 3 1 265.445 2.074 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H]([NH+](C)C)CC1)C2 ZINC001169109385 811404134 /nfs/dbraw/zinc/40/41/34/811404134.db2.gz BONBYGYSCDLNRN-JHJNDJDLSA-N 2 1 265.445 2.074 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169110192 811404507 /nfs/dbraw/zinc/40/45/07/811404507.db2.gz LKXUDZSAEIAYOH-ZSOGYDGISA-N 2 1 282.428 2.181 20 0 CEADMP C[N@@H+](C[C@@H]1CCCCO1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140725 811406973 /nfs/dbraw/zinc/40/69/73/811406973.db2.gz LPFMPSZJTDFPTE-YJNKXOJESA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](C[C@@H]1CCCCO1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169140725 811406977 /nfs/dbraw/zinc/40/69/77/811406977.db2.gz LPFMPSZJTDFPTE-YJNKXOJESA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](C[C@@H]1CCCCO1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140725 811406982 /nfs/dbraw/zinc/40/69/82/811406982.db2.gz LPFMPSZJTDFPTE-YJNKXOJESA-N 2 1 252.402 2.113 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169153731 811414310 /nfs/dbraw/zinc/41/43/10/811414310.db2.gz LKXCMYSJRPSQID-WBTNSWJXSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169153731 811414311 /nfs/dbraw/zinc/41/43/11/811414311.db2.gz LKXCMYSJRPSQID-WBTNSWJXSA-N 2 1 294.439 2.277 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3(C1)C[C@@H](F)CS3)C2 ZINC001169156236 811417351 /nfs/dbraw/zinc/41/73/51/811417351.db2.gz WKNMVLSXCJNGQI-FVCCEPFGSA-N 2 1 270.417 2.141 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3(C1)C[C@@H](F)CS3)C2 ZINC001169156236 811417354 /nfs/dbraw/zinc/41/73/54/811417354.db2.gz WKNMVLSXCJNGQI-FVCCEPFGSA-N 2 1 270.417 2.141 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](Oc3ccncc3)C1)C2 ZINC001169155467 811417801 /nfs/dbraw/zinc/41/78/01/811417801.db2.gz PGRGYAHNKDLHOG-IVSAIRAKSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H](Oc3ccncc3)C1)C2 ZINC001169155467 811417807 /nfs/dbraw/zinc/41/78/07/811417807.db2.gz PGRGYAHNKDLHOG-IVSAIRAKSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H](Oc3ccncc3)C1)C2 ZINC001169155467 811417811 /nfs/dbraw/zinc/41/78/11/811417811.db2.gz PGRGYAHNKDLHOG-IVSAIRAKSA-N 2 1 287.407 2.160 20 0 CEADMP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1C1CC[NH+](CC)CC1 ZINC001169262137 811451019 /nfs/dbraw/zinc/45/10/19/811451019.db2.gz SXCKAWOUJPCBPV-BPUTZDHNSA-N 2 1 294.439 2.134 20 0 CEADMP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1C1CC[NH+](CC)CC1 ZINC001169262137 811451022 /nfs/dbraw/zinc/45/10/22/811451022.db2.gz SXCKAWOUJPCBPV-BPUTZDHNSA-N 2 1 294.439 2.134 20 0 CEADMP CCN1CCC([N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)CC1 ZINC001169246036 811459934 /nfs/dbraw/zinc/45/99/34/811459934.db2.gz MRBSCENJRCROHR-IRXDYDNUSA-N 2 1 284.403 2.383 20 0 CEADMP CC[NH+]1CCC(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)CC1 ZINC001169259042 811468814 /nfs/dbraw/zinc/46/88/14/811468814.db2.gz ZPMCUHMDZMWHPP-OALUTQOASA-N 2 1 299.462 2.429 20 0 CEADMP CC[NH+]1CCC(N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CC1 ZINC001169259042 811468818 /nfs/dbraw/zinc/46/88/18/811468818.db2.gz ZPMCUHMDZMWHPP-OALUTQOASA-N 2 1 299.462 2.429 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001169485251 811530652 /nfs/dbraw/zinc/53/06/52/811530652.db2.gz VYVLZVCKVFSWPZ-CYBMUJFWSA-N 2 1 292.427 2.170 20 0 CEADMP CC(=O)N1CCC[C@@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169595113 811580698 /nfs/dbraw/zinc/58/06/98/811580698.db2.gz UMUXJCZLFFWVTA-BRWVUGGUSA-N 2 1 295.471 2.225 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)CCC[C@@H]1C[NH3+] ZINC001206023563 811691035 /nfs/dbraw/zinc/69/10/35/811691035.db2.gz FUZZNJBKERUDOZ-DZGCQCFKSA-N 2 1 273.424 2.097 20 0 CEADMP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169906073 811707822 /nfs/dbraw/zinc/70/78/22/811707822.db2.gz SBLHKFBEXSAPOF-OAHLLOKOSA-N 2 1 284.444 2.384 20 0 CEADMP CC1(C)CC([N@H+]2CCc3[nH+]ccn3CC2)CC(C)(C)O1 ZINC001172658811 815483391 /nfs/dbraw/zinc/48/33/91/815483391.db2.gz DBKPPQWRZGDKCU-UHFFFAOYSA-N 2 1 277.412 2.477 20 0 CEADMP CC1(C)CC([N@@H+]2CCc3[nH+]ccn3CC2)CC(C)(C)O1 ZINC001172658811 815483395 /nfs/dbraw/zinc/48/33/95/815483395.db2.gz DBKPPQWRZGDKCU-UHFFFAOYSA-N 2 1 277.412 2.477 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC ZINC001109857861 811961179 /nfs/dbraw/zinc/96/11/79/811961179.db2.gz HKOBZGXCFCJJIU-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC ZINC001109857861 811961184 /nfs/dbraw/zinc/96/11/84/811961184.db2.gz HKOBZGXCFCJJIU-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC ZINC001109857861 811961186 /nfs/dbraw/zinc/96/11/86/811961186.db2.gz HKOBZGXCFCJJIU-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@H](C)CCCC(C)C ZINC001170061504 812019508 /nfs/dbraw/zinc/01/95/08/812019508.db2.gz SGUMFHUCPLAMOH-ZIAGYGMSSA-N 2 1 272.433 2.461 20 0 CEADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H](C)CCCC(C)C ZINC001170061559 812019465 /nfs/dbraw/zinc/01/94/65/812019465.db2.gz UNZXJBNBUKNFKD-KBPBESRZSA-N 2 1 272.433 2.461 20 0 CEADMP CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571940 812169149 /nfs/dbraw/zinc/16/91/49/812169149.db2.gz IHANVLHMPHSJOV-CVEARBPZSA-N 2 1 298.390 2.033 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001113346323 812224475 /nfs/dbraw/zinc/22/44/75/812224475.db2.gz VOUYOSCYNNXFOI-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001113346323 812224483 /nfs/dbraw/zinc/22/44/83/812224483.db2.gz VOUYOSCYNNXFOI-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CC(C)OC(=O)CC[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001172760836 815509720 /nfs/dbraw/zinc/50/97/20/815509720.db2.gz CCMLLJKXKJGYSR-AWEZNQCLSA-N 2 1 284.444 2.380 20 0 CEADMP CCC[NH+]1C[C@H]2CN(c3ccc4c([nH+]3)CCC4)C[C@@H]2C1 ZINC001157690986 812319326 /nfs/dbraw/zinc/31/93/26/812319326.db2.gz NJMHFOIUZCTAAZ-GJZGRUSLSA-N 2 1 271.408 2.348 20 0 CEADMP CC[C@@H]1C[C@@H]([NH+]2CCC([N@@H+](C)CC)CC2)CCO1 ZINC001170241703 812353488 /nfs/dbraw/zinc/35/34/88/812353488.db2.gz XJJVSEHVZIIRCU-LSDHHAIUSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@H]1C[C@@H]([NH+]2CCC([N@@H+](C)CC)CC2)CCO1 ZINC001170241701 812353733 /nfs/dbraw/zinc/35/37/33/812353733.db2.gz XJJVSEHVZIIRCU-GJZGRUSLSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC001254522009 812436431 /nfs/dbraw/zinc/43/64/31/812436431.db2.gz AVHQQHIWLSIARR-CVEARBPZSA-N 2 1 265.445 2.031 20 0 CEADMP CC/C=C/CC[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129422724 812493325 /nfs/dbraw/zinc/49/33/25/812493325.db2.gz LGWJJPZPLSTHLR-SQRWCISFSA-N 2 1 295.471 2.311 20 0 CEADMP Oc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c(F)c1 ZINC001206057845 812518158 /nfs/dbraw/zinc/51/81/58/812518158.db2.gz QXLCKTCVZDSNBG-UHFFFAOYSA-N 2 1 273.311 2.003 20 0 CEADMP CC1CCC(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001130300417 812554466 /nfs/dbraw/zinc/55/44/66/812554466.db2.gz OXTFPLZOOZJLHV-UYSNPLJNSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CCC1CC1 ZINC001130622643 812591292 /nfs/dbraw/zinc/59/12/92/812591292.db2.gz SNZCYFFBRDELJB-UHFFFAOYSA-N 2 1 295.471 2.145 20 0 CEADMP CCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130709239 812598885 /nfs/dbraw/zinc/59/88/85/812598885.db2.gz XWQFZXSKDBYNAO-HNNXBMFYSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC001172948257 815544515 /nfs/dbraw/zinc/54/45/15/815544515.db2.gz ZLLNWOMCHKEIKX-ZDUSSCGKSA-N 2 1 299.459 2.316 20 0 CEADMP Cc1cccc(N(C2CC[NH2+]CC2)C2CCOCC2)[nH+]1 ZINC001255045289 812696885 /nfs/dbraw/zinc/69/68/85/812696885.db2.gz BJPHFPKGHCWRPS-UHFFFAOYSA-N 2 1 275.396 2.127 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132105396 812788067 /nfs/dbraw/zinc/78/80/67/812788067.db2.gz GRRRCFAALNQRKG-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152899 812792559 /nfs/dbraw/zinc/79/25/59/812792559.db2.gz KNFKZFVORWBOCP-ZIAGYGMSSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132152899 812792564 /nfs/dbraw/zinc/79/25/64/812792564.db2.gz KNFKZFVORWBOCP-ZIAGYGMSSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132152899 812792567 /nfs/dbraw/zinc/79/25/67/812792567.db2.gz KNFKZFVORWBOCP-ZIAGYGMSSA-N 2 1 283.460 2.096 20 0 CEADMP CC[N@@H+](C1CCN(C)CC1)[C@@H]1CCC[C@@H](OC)C1 ZINC001172941938 815553665 /nfs/dbraw/zinc/55/36/65/815553665.db2.gz MBIGVORRIYLUQL-HUUCEWRRSA-N 2 1 254.418 2.360 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(O)cc23)CC[C@@H]1F ZINC001206185024 815559051 /nfs/dbraw/zinc/55/90/51/815559051.db2.gz KMWBMCHHSVJBSJ-UONOGXRCSA-N 2 1 277.343 2.135 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC)C1 ZINC001132435108 812850801 /nfs/dbraw/zinc/85/08/01/812850801.db2.gz BGBKFBBOHWOQPW-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC)C1 ZINC001132435108 812850806 /nfs/dbraw/zinc/85/08/06/812850806.db2.gz BGBKFBBOHWOQPW-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC)C1 ZINC001132435108 812850816 /nfs/dbraw/zinc/85/08/16/812850816.db2.gz BGBKFBBOHWOQPW-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP C[NH+]1CCC([NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC001173038143 815567564 /nfs/dbraw/zinc/56/75/64/815567564.db2.gz SOJDWVLDKDNGDM-UHFFFAOYSA-N 2 1 266.429 2.410 20 0 CEADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)[C@H]2CCSC2)CC1 ZINC001255274580 813038228 /nfs/dbraw/zinc/03/82/28/813038228.db2.gz CUUVEONFDXVDKX-IHRRRGAJSA-N 2 1 254.443 2.474 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]C(C)(C)C[NH3+])CN1C(=O)OC(C)(C)C ZINC001173054791 815571809 /nfs/dbraw/zinc/57/18/09/815571809.db2.gz OZRFUYVIDUJBCM-RYUDHWBXSA-N 2 1 285.432 2.101 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133905782 813175208 /nfs/dbraw/zinc/17/52/08/813175208.db2.gz GZTBHSIKFWCRFG-UHFFFAOYSA-N 2 1 285.476 2.106 20 0 CEADMP Cc1cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cnc1F ZINC001276385183 813309334 /nfs/dbraw/zinc/30/93/34/813309334.db2.gz PKKCSBYAWSKIIH-UHFFFAOYSA-N 2 1 277.387 2.447 20 0 CEADMP CCCCC[NH2+]CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001134725859 813315783 /nfs/dbraw/zinc/31/57/83/813315783.db2.gz LGJKTAVJYHUWNM-UHFFFAOYSA-N 2 1 294.443 2.293 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135102733 813365913 /nfs/dbraw/zinc/36/59/13/813365913.db2.gz LYADEHRUYAFNNF-HZPDHXFCSA-N 2 1 295.471 2.289 20 0 CEADMP C1CCC([N@@H+]2CC[C@@H]([NH2+][C@@H]3CCCOCC3)C2)C1 ZINC001170797094 813373378 /nfs/dbraw/zinc/37/33/78/813373378.db2.gz SZFCOEGQKHNCPL-ZIAGYGMSSA-N 2 1 252.402 2.162 20 0 CEADMP C1CCC([N@H+]2CC[C@@H]([NH2+][C@@H]3CCCOCC3)C2)C1 ZINC001170797094 813373386 /nfs/dbraw/zinc/37/33/86/813373386.db2.gz SZFCOEGQKHNCPL-ZIAGYGMSSA-N 2 1 252.402 2.162 20 0 CEADMP C[N@H+]1CCc2cc(-c3ccncc3C[NH3+])ccc2C1 ZINC001245562548 813405957 /nfs/dbraw/zinc/40/59/57/813405957.db2.gz GFMDSWFEOIZOKG-UHFFFAOYSA-N 2 1 253.349 2.195 20 0 CEADMP C([NH2+][C@H]1CCCC12CCC2)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000394812583 813455444 /nfs/dbraw/zinc/45/54/44/813455444.db2.gz PFSBEYTURAWZET-KFWWJZLASA-N 2 1 264.413 2.162 20 0 CEADMP C([NH2+][C@H]1CCCC12CCC2)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000394812583 813455450 /nfs/dbraw/zinc/45/54/50/813455450.db2.gz PFSBEYTURAWZET-KFWWJZLASA-N 2 1 264.413 2.162 20 0 CEADMP CC(C)[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135586145 813470454 /nfs/dbraw/zinc/47/04/54/813470454.db2.gz XEXQNKPTOFBARB-UONOGXRCSA-N 2 1 294.443 2.288 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(C)C ZINC001135860355 813548702 /nfs/dbraw/zinc/54/87/02/813548702.db2.gz ARTBOUQMKBPZBD-GJZGRUSLSA-N 2 1 285.476 2.247 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000396555860 813573187 /nfs/dbraw/zinc/57/31/87/813573187.db2.gz GKOORZWFJMMXRD-RYQLBKOJSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000396555855 813573691 /nfs/dbraw/zinc/57/36/91/813573691.db2.gz GKOORZWFJMMXRD-JQHSSLGASA-N 2 1 287.451 2.381 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000396702791 813580931 /nfs/dbraw/zinc/58/09/31/813580931.db2.gz HPTPVXLDBZVYRB-ZBFHGGJFSA-N 2 1 273.424 2.169 20 0 CEADMP C[C@@H]([NH3+])CCNc1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC001170890303 813618750 /nfs/dbraw/zinc/61/87/50/813618750.db2.gz WRGHPTUOANWWGM-OCCSQVGLSA-N 2 1 262.401 2.388 20 0 CEADMP CC[C@@H]1CC([NH2+][C@@H]2CCC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246097956 813687030 /nfs/dbraw/zinc/68/70/30/813687030.db2.gz QBGWTXLKHXYYRJ-MGPQQGTHSA-N 3 1 253.434 2.027 20 0 CEADMP C[NH+]1CCC([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000399210712 813703761 /nfs/dbraw/zinc/70/37/61/813703761.db2.gz PPXXZZCINJSVED-SECBINFHSA-N 2 1 251.201 2.254 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000399261745 813705500 /nfs/dbraw/zinc/70/55/00/813705500.db2.gz OYERMUNQSOXOMM-NXEZZACHSA-N 2 1 251.201 2.112 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000399261745 813705502 /nfs/dbraw/zinc/70/55/02/813705502.db2.gz OYERMUNQSOXOMM-NXEZZACHSA-N 2 1 251.201 2.112 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000399499446 813711738 /nfs/dbraw/zinc/71/17/38/813711738.db2.gz JFAOYFHAVQALEW-ZIAGYGMSSA-N 2 1 256.434 2.057 20 0 CEADMP Fc1cc2c(cc1F)C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC001246186870 813725573 /nfs/dbraw/zinc/72/55/73/813725573.db2.gz IJNVIUCMEDVZBB-QWHCGFSZSA-N 2 1 266.335 2.164 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@H](CO)CC2CCCCC2)C[NH2+]1 ZINC001246228091 813739465 /nfs/dbraw/zinc/73/94/65/813739465.db2.gz DGCCITWBXMDUJK-SNPRPXQTSA-N 2 1 254.418 2.048 20 0 CEADMP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246298281 813764477 /nfs/dbraw/zinc/76/44/77/813764477.db2.gz AFDACJDMDQPOJV-KKUMJFAQSA-N 2 1 266.429 2.049 20 0 CEADMP Cc1ccn2c(C[NH+]3CC4(C3)CC[NH+](C)CC4)cnc2c1 ZINC001136890904 813784513 /nfs/dbraw/zinc/78/45/13/813784513.db2.gz CMPFPVZZZRSZEO-UHFFFAOYSA-N 2 1 284.407 2.170 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1ccnc1 ZINC001074073394 813800644 /nfs/dbraw/zinc/80/06/44/813800644.db2.gz WEMAHQSEIWNLHM-HUUCEWRRSA-N 2 1 292.427 2.167 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001074063601 813801018 /nfs/dbraw/zinc/80/10/18/813801018.db2.gz OJONGAZIJMJCTE-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001074063601 813801028 /nfs/dbraw/zinc/80/10/28/813801028.db2.gz OJONGAZIJMJCTE-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001074063601 813801036 /nfs/dbraw/zinc/80/10/36/813801036.db2.gz OJONGAZIJMJCTE-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)C[NH2+]1 ZINC001246365472 813802473 /nfs/dbraw/zinc/80/24/73/813802473.db2.gz KPFJNJYOSIUZRB-ZBFHGGJFSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@@H]1CC[C@H](NCC2CC[NH+](CC(C)(C)C)CC2)C[NH2+]1 ZINC001246365472 813802481 /nfs/dbraw/zinc/80/24/81/813802481.db2.gz KPFJNJYOSIUZRB-ZBFHGGJFSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@@]1(C)CCC[NH2+]1 ZINC001246454602 813828509 /nfs/dbraw/zinc/82/85/09/813828509.db2.gz CXGAKWWMGKXCDS-IUODEOHRSA-N 2 1 250.361 2.488 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]2C1 ZINC001137029414 813842578 /nfs/dbraw/zinc/84/25/78/813842578.db2.gz XFAUQNAHFYBNGP-ROUUACIJSA-N 2 1 286.419 2.490 20 0 CEADMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246547449 813989784 /nfs/dbraw/zinc/98/97/84/813989784.db2.gz IGRDPHLPZMCWDV-GDBMZVCRSA-N 3 1 283.435 2.062 20 0 CEADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC1 ZINC001246548798 813996930 /nfs/dbraw/zinc/99/69/30/813996930.db2.gz KDDMCCUAWGYBSO-INIZCTEOSA-N 3 1 285.451 2.402 20 0 CEADMP CC(C)(C)N1CCC([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)CC1 ZINC001246548798 813996934 /nfs/dbraw/zinc/99/69/34/813996934.db2.gz KDDMCCUAWGYBSO-INIZCTEOSA-N 2 1 285.451 2.402 20 0 CEADMP CC(C)(C)N1CCC([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC1 ZINC001246548798 813996941 /nfs/dbraw/zinc/99/69/41/813996941.db2.gz KDDMCCUAWGYBSO-INIZCTEOSA-N 2 1 285.451 2.402 20 0 CEADMP CC(C)(C)[NH+]1CCC(N2CCC[C@@](F)(C[NH3+])CC2)CC1 ZINC001246548798 813996946 /nfs/dbraw/zinc/99/69/46/813996946.db2.gz KDDMCCUAWGYBSO-INIZCTEOSA-N 2 1 285.451 2.402 20 0 CEADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC1 ZINC001246548801 813997508 /nfs/dbraw/zinc/99/75/08/813997508.db2.gz KDDMCCUAWGYBSO-MRXNPFEDSA-N 3 1 285.451 2.402 20 0 CEADMP CC(C)(C)N1CCC([N@@H+]2CCC[C@](F)(C[NH3+])CC2)CC1 ZINC001246548801 813997514 /nfs/dbraw/zinc/99/75/14/813997514.db2.gz KDDMCCUAWGYBSO-MRXNPFEDSA-N 2 1 285.451 2.402 20 0 CEADMP CC(C)(C)N1CCC([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC1 ZINC001246548801 813997518 /nfs/dbraw/zinc/99/75/18/813997518.db2.gz KDDMCCUAWGYBSO-MRXNPFEDSA-N 2 1 285.451 2.402 20 0 CEADMP CC(C)(C)[NH+]1CCC(N2CCC[C@](F)(C[NH3+])CC2)CC1 ZINC001246548801 813997522 /nfs/dbraw/zinc/99/75/22/813997522.db2.gz KDDMCCUAWGYBSO-MRXNPFEDSA-N 2 1 285.451 2.402 20 0 CEADMP CC(C)(C)[C@H]1C[C@@H]([N@@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246551091 814009389 /nfs/dbraw/zinc/00/93/89/814009389.db2.gz KPOALJPHYNVSIL-LZWOXQAQSA-N 3 1 267.461 2.356 20 0 CEADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCC[C@](C)([NH3+])CC2)CC[NH2+]1 ZINC001246551091 814009396 /nfs/dbraw/zinc/00/93/96/814009396.db2.gz KPOALJPHYNVSIL-LZWOXQAQSA-N 3 1 267.461 2.356 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC001246564615 814053913 /nfs/dbraw/zinc/05/39/13/814053913.db2.gz YASFTSIAWZRITA-YJNKXOJESA-N 2 1 282.428 2.025 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@]12CCOC2 ZINC001255968295 814065626 /nfs/dbraw/zinc/06/56/26/814065626.db2.gz XELFAQCNNZVXIQ-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)CC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001100676342 814170178 /nfs/dbraw/zinc/17/01/78/814170178.db2.gz LIDAZFOVAIDAPO-QQFBHYJXSA-N 2 1 295.471 2.001 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CCC2CC2)C1 ZINC001100898476 814202063 /nfs/dbraw/zinc/20/20/63/814202063.db2.gz HUQYPMOXIXIZGE-UHFFFAOYSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001100901778 814203064 /nfs/dbraw/zinc/20/30/64/814203064.db2.gz NYWVNHAGEXKDLV-UHFFFAOYSA-N 2 1 295.471 2.003 20 0 CEADMP CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100980678 814212066 /nfs/dbraw/zinc/21/20/66/814212066.db2.gz BDXZNGLEVAEMNT-HWOWSKLDSA-N 2 1 295.471 2.003 20 0 CEADMP CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001101036537 814215424 /nfs/dbraw/zinc/21/54/24/814215424.db2.gz SNFAJOHNMLQPSU-UYSNPLJNSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246646972 814243344 /nfs/dbraw/zinc/24/33/44/814243344.db2.gz REEDGNNESUTXOE-IKGGRYGDSA-N 3 1 279.472 2.371 20 0 CEADMP C[C@@H]1CC[C@H](N)C[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246826790 814267944 /nfs/dbraw/zinc/26/79/44/814267944.db2.gz YPSYNLDGYQEEBN-KGLIPLIRSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@@H]1CC[C@H]([NH3+])CN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246826790 814267952 /nfs/dbraw/zinc/26/79/52/814267952.db2.gz YPSYNLDGYQEEBN-KGLIPLIRSA-N 2 1 265.445 2.110 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246832626 814272368 /nfs/dbraw/zinc/27/23/68/814272368.db2.gz ISLZYYXAINVWGH-AWEZNQCLSA-N 3 1 265.445 2.112 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC(C)(C)C1 ZINC001246858262 814297168 /nfs/dbraw/zinc/29/71/68/814297168.db2.gz DRAYIGUIKBCAET-BUWKTABGSA-N 2 1 266.429 2.107 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001146711437 814312431 /nfs/dbraw/zinc/31/24/31/814312431.db2.gz RXPNWUNFCYYROI-UHFFFAOYSA-N 2 1 295.471 2.004 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1ccccc1C ZINC001146718910 814313620 /nfs/dbraw/zinc/31/36/20/814313620.db2.gz KZSLFSQVJNECCA-HNNXBMFYSA-N 2 1 291.439 2.104 20 0 CEADMP CCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102101306 814361383 /nfs/dbraw/zinc/36/13/83/814361383.db2.gz XFYCVDVEEXFEPV-HUUCEWRRSA-N 2 1 297.487 2.201 20 0 CEADMP CCCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)[C@H](C)C1 ZINC001102101306 814361393 /nfs/dbraw/zinc/36/13/93/814361393.db2.gz XFYCVDVEEXFEPV-HUUCEWRRSA-N 2 1 297.487 2.201 20 0 CEADMP CCCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)[C@H](C)C1 ZINC001102101306 814361402 /nfs/dbraw/zinc/36/14/02/814361402.db2.gz XFYCVDVEEXFEPV-HUUCEWRRSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)COCC[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246942530 814453086 /nfs/dbraw/zinc/45/30/86/814453086.db2.gz QOWMTLHGKWUGQK-HRCADAONSA-N 2 1 268.445 2.369 20 0 CEADMP CCCCC[N@@H+](C)CCC(=O)N(C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161060766 814497963 /nfs/dbraw/zinc/49/79/63/814497963.db2.gz CVMCVWHRAKZYFV-GJZGRUSLSA-N 2 1 283.460 2.227 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CCC1CCCC1 ZINC001148577772 814590559 /nfs/dbraw/zinc/59/05/59/814590559.db2.gz CBVQYKLHGSTYGU-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001148655230 814594255 /nfs/dbraw/zinc/59/42/55/814594255.db2.gz KJSQSOJKYXZRCK-HNNXBMFYSA-N 2 1 291.439 2.104 20 0 CEADMP [NH3+]CCc1c[nH+]cn1[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171335765 814602485 /nfs/dbraw/zinc/60/24/85/814602485.db2.gz ALKFREHIQNVXPZ-GFCCVEGCSA-N 2 1 277.318 2.393 20 0 CEADMP C([C@H]1CCCOC1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692861879 814613041 /nfs/dbraw/zinc/61/30/41/814613041.db2.gz OFKXMGIFLRYCKO-GDBMZVCRSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])C[C@@](C)(C(F)F)O1 ZINC000698781691 814660721 /nfs/dbraw/zinc/66/07/21/814660721.db2.gz OWEGAISLNAZIJQ-AAEUAGOBSA-N 2 1 264.360 2.250 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC001173110798 815582134 /nfs/dbraw/zinc/58/21/34/815582134.db2.gz YFNJJIHUZUOBBB-LMPOIIKSSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](CC)CC(=O)OC)CC1 ZINC001173117452 815585297 /nfs/dbraw/zinc/58/52/97/815585297.db2.gz MFDOCUQFEDDNLG-UHFFFAOYSA-N 2 1 270.417 2.134 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2c[nH]nc2C)C1 ZINC001116498411 814858382 /nfs/dbraw/zinc/85/83/82/814858382.db2.gz MBWLAJDFTYSGMZ-WCQYABFASA-N 2 1 250.390 2.101 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2c[nH]nc2C)C1 ZINC001116498411 814858386 /nfs/dbraw/zinc/85/83/86/814858386.db2.gz MBWLAJDFTYSGMZ-WCQYABFASA-N 2 1 250.390 2.101 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC(C)(C)CO2)CC[N@H+]1C ZINC000713518154 814861337 /nfs/dbraw/zinc/86/13/37/814861337.db2.gz ZFSJMPCLORDSLX-HZSPNIEDSA-N 2 1 254.418 2.264 20 0 CEADMP CC1(C)CC[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)OC1 ZINC000713595930 814865424 /nfs/dbraw/zinc/86/54/24/814865424.db2.gz JJCOELBMIQHLNA-DZKIICNBSA-N 2 1 266.429 2.252 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC(C)(C)CO1 ZINC000713595469 814866615 /nfs/dbraw/zinc/86/66/15/814866615.db2.gz GHNVVUWJKQMAHK-IHRRRGAJSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1CCC(C)(C)CO1 ZINC000713595469 814866621 /nfs/dbraw/zinc/86/66/21/814866621.db2.gz GHNVVUWJKQMAHK-IHRRRGAJSA-N 2 1 254.418 2.393 20 0 CEADMP C=C/C=C\CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000713744083 814870776 /nfs/dbraw/zinc/87/07/76/814870776.db2.gz AUTNRVTURJDKQS-JXCVUKRWSA-N 2 1 286.419 2.345 20 0 CEADMP C=C/C=C\CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000713744083 814870779 /nfs/dbraw/zinc/87/07/79/814870779.db2.gz AUTNRVTURJDKQS-JXCVUKRWSA-N 2 1 286.419 2.345 20 0 CEADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC001116918312 814892021 /nfs/dbraw/zinc/89/20/21/814892021.db2.gz XEMURSBSKBYUKP-RBSFLKMASA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)O1 ZINC000714321601 814893666 /nfs/dbraw/zinc/89/36/66/814893666.db2.gz VDBYMAATTVMTCK-UTUOFQBUSA-N 2 1 294.361 2.403 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000714367056 814900444 /nfs/dbraw/zinc/90/04/44/814900444.db2.gz DTXFAGFQFWSIHA-IHRRRGAJSA-N 2 1 254.418 2.393 20 0 CEADMP CC(C)n1ncnc1C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714481928 814908555 /nfs/dbraw/zinc/90/85/55/814908555.db2.gz SQMQMAGVXOTLMY-UHFFFAOYSA-N 2 1 279.432 2.056 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4ncsc4C3)C[C@@H]2C1 ZINC001173142547 815601531 /nfs/dbraw/zinc/60/15/31/815601531.db2.gz BFODZYMALOLKQD-HZSPNIEDSA-N 2 1 291.464 2.274 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4ncsc4C3)C[C@@H]2C1 ZINC001173142547 815601537 /nfs/dbraw/zinc/60/15/37/815601537.db2.gz BFODZYMALOLKQD-HZSPNIEDSA-N 2 1 291.464 2.274 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4ncsc4C3)C[C@@H]2C1 ZINC001173142547 815601540 /nfs/dbraw/zinc/60/15/40/815601540.db2.gz BFODZYMALOLKQD-HZSPNIEDSA-N 2 1 291.464 2.274 20 0 CEADMP COc1cccc2c1C[C@H]([N@@H+](CCC[NH3+])C(C)C)CO2 ZINC001173146828 815605950 /nfs/dbraw/zinc/60/59/50/815605950.db2.gz CNLYCAMNVJKOML-ZDUSSCGKSA-N 2 1 278.396 2.058 20 0 CEADMP CC[N@H+]1CC[C@@H](n2c3ccccc3nc2[C@H](C)[NH3+])C1 ZINC001173347893 815684103 /nfs/dbraw/zinc/68/41/03/815684103.db2.gz ICJKCQBBQGAQSR-NWDGAFQWSA-N 2 1 258.369 2.323 20 0 CEADMP CC[N@@H+]1CC[C@@H](n2cc(C(=O)C[NH3+])c3ccccc32)C1 ZINC001173350850 815686900 /nfs/dbraw/zinc/68/69/00/815686900.db2.gz QOUXRSPRARHEJM-GFCCVEGCSA-N 2 1 271.364 2.049 20 0 CEADMP CC[N@H+]1CC[C@@H](n2cc(C(=O)C[NH3+])c3ccccc32)C1 ZINC001173350850 815686904 /nfs/dbraw/zinc/68/69/04/815686904.db2.gz QOUXRSPRARHEJM-GFCCVEGCSA-N 2 1 271.364 2.049 20 0 CEADMP CCC(CC)[NH+]1CCC(N[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001173352950 815691338 /nfs/dbraw/zinc/69/13/38/815691338.db2.gz GXHFXHIEHQNMDY-OAHLLOKOSA-N 2 1 267.461 2.323 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC001173360955 815700754 /nfs/dbraw/zinc/70/07/54/815700754.db2.gz BCWLTZSXLHUTJJ-SJLPKXTDSA-N 2 1 287.451 2.459 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC001173361400 815701710 /nfs/dbraw/zinc/70/17/10/815701710.db2.gz CFBOZXANEBZRMT-AEFFLSMTSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001173361400 815701715 /nfs/dbraw/zinc/70/17/15/815701715.db2.gz CFBOZXANEBZRMT-AEFFLSMTSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001173361400 815701719 /nfs/dbraw/zinc/70/17/19/815701719.db2.gz CFBOZXANEBZRMT-AEFFLSMTSA-N 2 1 287.451 2.287 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3cnc(Cl)cc23)CC[C@@H]1F ZINC001206197928 815702457 /nfs/dbraw/zinc/70/24/57/815702457.db2.gz KLFCYJILQQLBFK-RYUDHWBXSA-N 2 1 296.777 2.478 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)CC[C@@H]1F ZINC001206197928 815702464 /nfs/dbraw/zinc/70/24/64/815702464.db2.gz KLFCYJILQQLBFK-RYUDHWBXSA-N 2 1 296.777 2.478 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001173619988 815764019 /nfs/dbraw/zinc/76/40/19/815764019.db2.gz DKIMFVXGGCXDFQ-QLFBSQMISA-N 2 1 282.428 2.040 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2cncc(C3CC3)c2)CC[C@@H]1F ZINC001206210544 815780331 /nfs/dbraw/zinc/78/03/31/815780331.db2.gz KRBFBIZTFMLPCO-LSDHHAIUSA-N 2 1 263.360 2.220 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2cncc(C3CC3)c2)CC[C@@H]1F ZINC001206210544 815780335 /nfs/dbraw/zinc/78/03/35/815780335.db2.gz KRBFBIZTFMLPCO-LSDHHAIUSA-N 2 1 263.360 2.220 20 0 CEADMP CN(C)c1ccc(C[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC001138489610 815811502 /nfs/dbraw/zinc/81/15/02/815811502.db2.gz NZYKDSIOHUWKKX-UHFFFAOYSA-N 2 1 267.442 2.340 20 0 CEADMP CN(C)c1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC001138489610 815811513 /nfs/dbraw/zinc/81/15/13/815811513.db2.gz NZYKDSIOHUWKKX-UHFFFAOYSA-N 2 1 267.442 2.340 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)cc1 ZINC001138543771 815822597 /nfs/dbraw/zinc/82/25/97/815822597.db2.gz ULRHXZBCHNAZQN-HOTGVXAUSA-N 2 1 289.354 2.085 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H](F)[C@@H](O)C2)cc1 ZINC001138543771 815822606 /nfs/dbraw/zinc/82/26/06/815822606.db2.gz ULRHXZBCHNAZQN-HOTGVXAUSA-N 2 1 289.354 2.085 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)CC2COC2)cc1 ZINC001138548523 815824887 /nfs/dbraw/zinc/82/48/87/815824887.db2.gz HAHYUGJBHKZRGP-UHFFFAOYSA-N 2 1 271.364 2.259 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)CC2COC2)cc1 ZINC001138548523 815824892 /nfs/dbraw/zinc/82/48/92/815824892.db2.gz HAHYUGJBHKZRGP-UHFFFAOYSA-N 2 1 271.364 2.259 20 0 CEADMP c1cc2cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cnc2[nH]1 ZINC001138736148 815882316 /nfs/dbraw/zinc/88/23/16/815882316.db2.gz JFGSLXSTHAQJFA-UHFFFAOYSA-N 2 1 293.374 2.280 20 0 CEADMP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)C(C)C ZINC001139319547 816003176 /nfs/dbraw/zinc/00/31/76/816003176.db2.gz JHEPFEZHYLCATB-UHFFFAOYSA-N 2 1 282.457 2.125 20 0 CEADMP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)C(C)C ZINC001139319547 816003183 /nfs/dbraw/zinc/00/31/83/816003183.db2.gz JHEPFEZHYLCATB-UHFFFAOYSA-N 2 1 282.457 2.125 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3cnn(C)c3c2)CC1 ZINC001139908932 816139077 /nfs/dbraw/zinc/13/90/77/816139077.db2.gz PJZNACFUUDSUPA-UHFFFAOYSA-N 2 1 286.423 2.489 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3cnn(C)c3c2)CC1 ZINC001139908932 816139081 /nfs/dbraw/zinc/13/90/81/816139081.db2.gz PJZNACFUUDSUPA-UHFFFAOYSA-N 2 1 286.423 2.489 20 0 CEADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)[C@H]1CCOC1 ZINC001140027817 816170920 /nfs/dbraw/zinc/17/09/20/816170920.db2.gz BWYKAWSCEJPXHB-HNNXBMFYSA-N 2 1 271.364 2.401 20 0 CEADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)[C@H]1CCOC1 ZINC001140027817 816170926 /nfs/dbraw/zinc/17/09/26/816170926.db2.gz BWYKAWSCEJPXHB-HNNXBMFYSA-N 2 1 271.364 2.401 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(O)ccc3F)C2)CC1 ZINC001140051514 816176465 /nfs/dbraw/zinc/17/64/65/816176465.db2.gz LNBPVKJOXMZZQR-UHFFFAOYSA-N 2 1 278.371 2.449 20 0 CEADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176165781 816358459 /nfs/dbraw/zinc/35/84/59/816358459.db2.gz ORTADNUIDYYYIE-GOEBONIOSA-N 2 1 295.471 2.003 20 0 CEADMP CC[NH+](CC)CCN(C)Cc1c[nH]c2cc[nH+]cc12 ZINC001140799618 816358510 /nfs/dbraw/zinc/35/85/10/816358510.db2.gz ITSCSJXZYRLJEB-UHFFFAOYSA-N 2 1 260.385 2.337 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001140806794 816365874 /nfs/dbraw/zinc/36/58/74/816365874.db2.gz SBMXHCVNJICWHX-ZDUSSCGKSA-N 2 1 295.346 2.006 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001140806794 816365883 /nfs/dbraw/zinc/36/58/83/816365883.db2.gz SBMXHCVNJICWHX-ZDUSSCGKSA-N 2 1 295.346 2.006 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001176286445 816377573 /nfs/dbraw/zinc/37/75/73/816377573.db2.gz WIIWWUSRHDQBPF-OAHLLOKOSA-N 2 1 297.487 2.393 20 0 CEADMP c1cn2ccc(C[N@H+]3CC[C@@H]4OCCC[C@H]4C3)cc2n1 ZINC001141042387 816457558 /nfs/dbraw/zinc/45/75/58/816457558.db2.gz OXOMTJJVJPCDQP-GJZGRUSLSA-N 2 1 271.364 2.335 20 0 CEADMP COc1cccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1F ZINC001141220752 816505637 /nfs/dbraw/zinc/50/56/37/816505637.db2.gz JCEZZMFJVXNLEF-OCCSQVGLSA-N 2 1 278.371 2.218 20 0 CEADMP COc1cccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1F ZINC001141220752 816505640 /nfs/dbraw/zinc/50/56/40/816505640.db2.gz JCEZZMFJVXNLEF-OCCSQVGLSA-N 2 1 278.371 2.218 20 0 CEADMP COc1cccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1F ZINC001141220752 816505643 /nfs/dbraw/zinc/50/56/43/816505643.db2.gz JCEZZMFJVXNLEF-OCCSQVGLSA-N 2 1 278.371 2.218 20 0 CEADMP COc1cccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1F ZINC001141220752 816505646 /nfs/dbraw/zinc/50/56/46/816505646.db2.gz JCEZZMFJVXNLEF-OCCSQVGLSA-N 2 1 278.371 2.218 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CC=CC12CCCCC2)C1CC1 ZINC001176994974 816505956 /nfs/dbraw/zinc/50/59/56/816505956.db2.gz FYAUUCQOKXVORX-HNNXBMFYSA-N 2 1 264.413 2.016 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CC=CC12CCCCC2)C1CC1 ZINC001176994974 816505960 /nfs/dbraw/zinc/50/59/60/816505960.db2.gz FYAUUCQOKXVORX-HNNXBMFYSA-N 2 1 264.413 2.016 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CC=CC12CCCCC2)C1CC1 ZINC001176994974 816505965 /nfs/dbraw/zinc/50/59/65/816505965.db2.gz FYAUUCQOKXVORX-HNNXBMFYSA-N 2 1 264.413 2.016 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CC=CC12CCCCC2)C1CC1 ZINC001176994974 816505972 /nfs/dbraw/zinc/50/59/72/816505972.db2.gz FYAUUCQOKXVORX-HNNXBMFYSA-N 2 1 264.413 2.016 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCc2cccnc2)CC1 ZINC001206293181 816519843 /nfs/dbraw/zinc/51/98/43/816519843.db2.gz GQFOGPLRIKVMDK-MRXNPFEDSA-N 2 1 261.413 2.465 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1O ZINC001206293443 816522009 /nfs/dbraw/zinc/52/20/09/816522009.db2.gz HROJBPJTKRUHCA-INIZCTEOSA-N 2 1 278.396 2.352 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCCc2ccncc2)CC1 ZINC001206295658 816526610 /nfs/dbraw/zinc/52/66/10/816526610.db2.gz MURLYONZRRFDRR-MRXNPFEDSA-N 2 1 261.413 2.465 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ncc(F)cc2F)CC1 ZINC001206305335 816578212 /nfs/dbraw/zinc/57/82/12/816578212.db2.gz XZQFHQPZPDMETF-CQSZACIVSA-N 2 1 269.339 2.311 20 0 CEADMP CCOc1cncc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206325719 816720938 /nfs/dbraw/zinc/72/09/38/816720938.db2.gz HXESZDBFXGNMPG-MRXNPFEDSA-N 2 1 277.412 2.431 20 0 CEADMP Cc1c[nH+]cn1CC(=O)NCCCCCC[NH2+]CC(C)C ZINC001179026227 816825363 /nfs/dbraw/zinc/82/53/63/816825363.db2.gz RVWOIRDZDRXDPS-UHFFFAOYSA-N 2 1 294.443 2.114 20 0 CEADMP Cc1cccc(-c2noc([C@@H]([NH3+])CSCC[NH3+])n2)c1C ZINC001206630304 816833090 /nfs/dbraw/zinc/83/30/90/816833090.db2.gz IWGNOJOJEBABEQ-LBPRGKRZSA-N 2 1 292.408 2.045 20 0 CEADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]CC1CC1 ZINC001179580901 816885365 /nfs/dbraw/zinc/88/53/65/816885365.db2.gz VFBSZGQVDPBMAR-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000221828180 282079707 /nfs/dbraw/zinc/07/97/07/282079707.db2.gz DKGLHNLLCRTLLC-DZGCQCFKSA-N 2 1 286.423 2.417 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000337386527 214046956 /nfs/dbraw/zinc/04/69/56/214046956.db2.gz ICOXNQBVHMFDSY-XJKSGUPXSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCOC)C1 ZINC000337404353 214057866 /nfs/dbraw/zinc/05/78/66/214057866.db2.gz RKZZWBITRCAAEP-QLFBSQMISA-N 2 1 254.418 2.123 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@@H+](CC3(C)CC3)CC2)CC1 ZINC000567603226 299065465 /nfs/dbraw/zinc/06/54/65/299065465.db2.gz FYFIZBQATTZJBQ-UHFFFAOYSA-N 2 1 279.472 2.279 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449089635 282095592 /nfs/dbraw/zinc/09/55/92/282095592.db2.gz DMEUGNDNLTWUMH-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1cccc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000127706120 187327617 /nfs/dbraw/zinc/32/76/17/187327617.db2.gz RSJPSCBRIMBHAV-QGZVFWFLSA-N 2 1 297.402 2.221 20 0 CEADMP Cc1cccc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[nH+]1 ZINC000127706120 187327620 /nfs/dbraw/zinc/32/76/20/187327620.db2.gz RSJPSCBRIMBHAV-QGZVFWFLSA-N 2 1 297.402 2.221 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000449094766 282098645 /nfs/dbraw/zinc/09/86/45/282098645.db2.gz UAHYTOFFDRBIFE-IJEWVQPXSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@H]3CCO[C@@H]3C)CC2)[nH+]c1 ZINC000121336287 365554891 /nfs/dbraw/zinc/55/48/91/365554891.db2.gz LFBOPLISEVDCOX-HIFRSBDPSA-N 2 1 275.396 2.126 20 0 CEADMP COCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000124654093 187147554 /nfs/dbraw/zinc/14/75/54/187147554.db2.gz OQNGCDUQCLWVEP-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP COCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000124654093 187147555 /nfs/dbraw/zinc/14/75/55/187147555.db2.gz OQNGCDUQCLWVEP-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH2+]CCC ZINC000449110519 282103616 /nfs/dbraw/zinc/10/36/16/282103616.db2.gz DOYNSVMGCOVVKK-LSDHHAIUSA-N 2 1 283.460 2.145 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000336484816 365582925 /nfs/dbraw/zinc/58/29/25/365582925.db2.gz VZDLXMCNVYOEAK-UKRRQHHQSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449121046 282107854 /nfs/dbraw/zinc/10/78/54/282107854.db2.gz FUQSRLQORMCHKZ-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)COCC1CC1 ZINC000127785749 187332927 /nfs/dbraw/zinc/33/29/27/187332927.db2.gz FROBHRUQZPTBIO-HUUCEWRRSA-N 2 1 252.402 2.020 20 0 CEADMP CCC(CC)(C[NH2+]CC[C@@H]1CCCC[N@H+]1C)C(=O)OC ZINC000343491393 282118598 /nfs/dbraw/zinc/11/85/98/282118598.db2.gz FRWNDTFSUWMTMC-AWEZNQCLSA-N 2 1 284.444 2.430 20 0 CEADMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367613940 282125334 /nfs/dbraw/zinc/12/53/34/282125334.db2.gz GLTDVPXKEGYSQR-KFWWJZLASA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)CCO1 ZINC000449166498 282128506 /nfs/dbraw/zinc/12/85/06/282128506.db2.gz DEYSOGLPDHNTPN-YJNKXOJESA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000125268392 365670168 /nfs/dbraw/zinc/67/01/68/365670168.db2.gz WJEFYUMERUMFPB-IAGOWNOFSA-N 2 1 279.472 2.279 20 0 CEADMP CCOc1cncc(C[NH2+]CCC[NH+](CC)CC)c1 ZINC000621325124 349560835 /nfs/dbraw/zinc/56/08/35/349560835.db2.gz LRARIHMUMUPHFS-UHFFFAOYSA-N 2 1 265.401 2.302 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@H]1CC1(F)F ZINC000621376829 349586687 /nfs/dbraw/zinc/58/66/87/349586687.db2.gz KKSNDSXOSFIIKU-NSHDSACASA-N 2 1 255.312 2.283 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125328656 187179777 /nfs/dbraw/zinc/17/97/77/187179777.db2.gz MFGKZHRKTGBBLO-CLWVCHIJSA-N 2 1 287.407 2.073 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125328656 187179778 /nfs/dbraw/zinc/17/97/78/187179778.db2.gz MFGKZHRKTGBBLO-CLWVCHIJSA-N 2 1 287.407 2.073 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000621381373 349587984 /nfs/dbraw/zinc/58/79/84/349587984.db2.gz RTBPNQSPUSAAJW-HNNXBMFYSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000621381373 349587988 /nfs/dbraw/zinc/58/79/88/349587988.db2.gz RTBPNQSPUSAAJW-HNNXBMFYSA-N 2 1 279.428 2.455 20 0 CEADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CC[NH2+]CC1 ZINC000036301031 361840247 /nfs/dbraw/zinc/84/02/47/361840247.db2.gz CENXUDCWZRGLTR-UHFFFAOYSA-N 2 1 270.380 2.056 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037648813 361917905 /nfs/dbraw/zinc/91/79/05/361917905.db2.gz MSDNEJIFQUGLHZ-AWEZNQCLSA-N 2 1 284.407 2.217 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000125480233 187187041 /nfs/dbraw/zinc/18/70/41/187187041.db2.gz PKQQKHMFAJTCJZ-CQSZACIVSA-N 2 1 284.407 2.460 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000125480233 187187042 /nfs/dbraw/zinc/18/70/42/187187042.db2.gz PKQQKHMFAJTCJZ-CQSZACIVSA-N 2 1 284.407 2.460 20 0 CEADMP CCC(CC)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000336805189 282158933 /nfs/dbraw/zinc/15/89/33/282158933.db2.gz USXAGSSGQYLOPU-UHFFFAOYSA-N 2 1 269.477 2.380 20 0 CEADMP C[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000621642122 349650153 /nfs/dbraw/zinc/65/01/53/349650153.db2.gz FEUUGMRNLJBOOT-OAGGEKHMSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CCCOC1 ZINC000123979122 539179916 /nfs/dbraw/zinc/17/99/16/539179916.db2.gz CJNILQAMVUNLCZ-AWEZNQCLSA-N 2 1 274.408 2.191 20 0 CEADMP CC[NH2+]CCCN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000567723993 299081812 /nfs/dbraw/zinc/08/18/12/299081812.db2.gz MYMPHUMYGOEVFX-NVXWUHKLSA-N 2 1 275.440 2.411 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnc(C)s2)C1 ZINC000090403349 539184027 /nfs/dbraw/zinc/18/40/27/539184027.db2.gz GYMMSGSKYNPHNN-JQWIXIFHSA-N 2 1 253.415 2.444 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnc(C)s2)C1 ZINC000090403349 539184029 /nfs/dbraw/zinc/18/40/29/539184029.db2.gz GYMMSGSKYNPHNN-JQWIXIFHSA-N 2 1 253.415 2.444 20 0 CEADMP CC[C@@H](C[NH2+]C1CC(OC(C)C)C1)[NH+]1CCCC1 ZINC000189517398 529489677 /nfs/dbraw/zinc/48/96/77/529489677.db2.gz CZJXZEUBJYZFAI-SLTAFYQDSA-N 2 1 254.418 2.406 20 0 CEADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2([NH+](C)C)CC2)C1 ZINC000668572871 539202307 /nfs/dbraw/zinc/20/23/07/539202307.db2.gz MTCIPTYZNOBBEZ-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2([NH+](C)C)CC2)C1 ZINC000668572871 539202308 /nfs/dbraw/zinc/20/23/08/539202308.db2.gz MTCIPTYZNOBBEZ-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP CO[C@H](C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1)c1ccccc1 ZINC000621784327 349702416 /nfs/dbraw/zinc/70/24/16/349702416.db2.gz NIXSDIYURUFBKE-XHSDSOJGSA-N 2 1 260.381 2.187 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1)c1ccccc1 ZINC000621784327 349702419 /nfs/dbraw/zinc/70/24/19/349702419.db2.gz NIXSDIYURUFBKE-XHSDSOJGSA-N 2 1 260.381 2.187 20 0 CEADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000668668106 539230402 /nfs/dbraw/zinc/23/04/02/539230402.db2.gz PBHJOLZZODUOPC-WCVJEAGWSA-N 2 1 264.413 2.018 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCCC(C)(F)F)CC1 ZINC000449350679 282196547 /nfs/dbraw/zinc/19/65/47/282196547.db2.gz LGRHLANFDRJQJL-UHFFFAOYSA-N 2 1 264.360 2.122 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000221927707 539222790 /nfs/dbraw/zinc/22/27/90/539222790.db2.gz RGYOAQKMDKQPHS-CQSZACIVSA-N 3 1 255.450 2.037 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CC[C@@H]4COC[C@H]4C3)n2c1 ZINC000668706531 539242621 /nfs/dbraw/zinc/24/26/21/539242621.db2.gz SSJKQYYHQBIJAG-ZIAGYGMSSA-N 2 1 271.364 2.111 20 0 CEADMP COc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000041664390 362046812 /nfs/dbraw/zinc/04/68/12/362046812.db2.gz LDFXTKNBIKYKSO-YIONKMFJSA-N 2 1 260.381 2.410 20 0 CEADMP COc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000041664390 362046815 /nfs/dbraw/zinc/04/68/15/362046815.db2.gz LDFXTKNBIKYKSO-YIONKMFJSA-N 2 1 260.381 2.410 20 0 CEADMP CS[C@@H](C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336716411 365779481 /nfs/dbraw/zinc/77/94/81/365779481.db2.gz WDXBOJFWWLBYBU-VIFPVBQESA-N 2 1 259.444 2.046 20 0 CEADMP C[C@H]([NH2+]Cc1cccnc1N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000295038891 199314763 /nfs/dbraw/zinc/31/47/63/199314763.db2.gz SOPORNODKPGQMI-ZFWWWQNUSA-N 2 1 288.439 2.406 20 0 CEADMP C[C@H]([NH2+]Cc1cccnc1N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000295038891 199314765 /nfs/dbraw/zinc/31/47/65/199314765.db2.gz SOPORNODKPGQMI-ZFWWWQNUSA-N 2 1 288.439 2.406 20 0 CEADMP CC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336719478 365782407 /nfs/dbraw/zinc/78/24/07/365782407.db2.gz SIDJGASGZRIOMK-KURKYZTESA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336719478 365782410 /nfs/dbraw/zinc/78/24/10/365782410.db2.gz SIDJGASGZRIOMK-KURKYZTESA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336719478 365782416 /nfs/dbraw/zinc/78/24/16/365782416.db2.gz SIDJGASGZRIOMK-KURKYZTESA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H]1CCC[C@H](C)C1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128478887 365791899 /nfs/dbraw/zinc/79/18/99/365791899.db2.gz QDGJKVDAJQNGIC-HOTGVXAUSA-N 2 1 281.488 2.428 20 0 CEADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2cncs2)C1 ZINC000411307256 529861877 /nfs/dbraw/zinc/86/18/77/529861877.db2.gz XFTHJRDTOWZWHX-CQSZACIVSA-N 2 1 279.453 2.349 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2cncs2)C1 ZINC000411307256 529861879 /nfs/dbraw/zinc/86/18/79/529861879.db2.gz XFTHJRDTOWZWHX-CQSZACIVSA-N 2 1 279.453 2.349 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2cncs2)C1 ZINC000411307256 529861880 /nfs/dbraw/zinc/86/18/80/529861880.db2.gz XFTHJRDTOWZWHX-CQSZACIVSA-N 2 1 279.453 2.349 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2cncs2)C1 ZINC000411307256 529861881 /nfs/dbraw/zinc/86/18/81/529861881.db2.gz XFTHJRDTOWZWHX-CQSZACIVSA-N 2 1 279.453 2.349 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000273172686 192065851 /nfs/dbraw/zinc/06/58/51/192065851.db2.gz CFHURWNUPGBFTC-QWHCGFSZSA-N 2 1 295.427 2.165 20 0 CEADMP COCCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835328 343868594 /nfs/dbraw/zinc/86/85/94/343868594.db2.gz HHXQNYMTZXDBOL-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)CC[NH+]1CCCCC1 ZINC000173958109 529930261 /nfs/dbraw/zinc/93/02/61/529930261.db2.gz BMGFRBCBQVCCOJ-INIZCTEOSA-N 2 1 267.461 2.279 20 0 CEADMP C[C@H]1C[C@H](C)C[NH+](CCCNc2cc[nH+]c(N(C)C)n2)C1 ZINC000077190459 343910006 /nfs/dbraw/zinc/91/00/06/343910006.db2.gz KTCWSCBYJJDKIJ-KBPBESRZSA-N 2 1 291.443 2.323 20 0 CEADMP CN(C)c1nc(NCC[N@H+](C)C2CCCCC2)cc[nH+]1 ZINC000077213004 343910964 /nfs/dbraw/zinc/91/09/64/343910964.db2.gz NQZNMOIWUXHZBH-UHFFFAOYSA-N 2 1 277.416 2.219 20 0 CEADMP CN(C)c1nc(NCC[N@@H+](C)C2CCCCC2)cc[nH+]1 ZINC000077213004 343910966 /nfs/dbraw/zinc/91/09/66/343910966.db2.gz NQZNMOIWUXHZBH-UHFFFAOYSA-N 2 1 277.416 2.219 20 0 CEADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCOC3)CC2)cc1 ZINC000090773863 344143002 /nfs/dbraw/zinc/14/30/02/344143002.db2.gz VRJZVDUHIJHAFJ-QGZVFWFLSA-N 2 1 292.398 2.211 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](n2cccn2)C1 ZINC000351580150 219134211 /nfs/dbraw/zinc/13/42/11/219134211.db2.gz DBHSNFXMLQHKFE-JKSUJKDBSA-N 2 1 276.428 2.394 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000351580150 219134213 /nfs/dbraw/zinc/13/42/13/219134213.db2.gz DBHSNFXMLQHKFE-JKSUJKDBSA-N 2 1 276.428 2.394 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000351580150 219134215 /nfs/dbraw/zinc/13/42/15/219134215.db2.gz DBHSNFXMLQHKFE-JKSUJKDBSA-N 2 1 276.428 2.394 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000093406051 344222968 /nfs/dbraw/zinc/22/29/68/344222968.db2.gz MZXGJSMJDRNXCB-ZFWWWQNUSA-N 2 1 282.453 2.492 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000126907919 344327210 /nfs/dbraw/zinc/32/72/10/344327210.db2.gz RLBKVUAWJGBIQB-OLZOCXBDSA-N 2 1 255.365 2.404 20 0 CEADMP c1ccc2c(c1)n[nH]c2C[NH2+]CCC[NH+]1CCCC1 ZINC000134522625 344374864 /nfs/dbraw/zinc/37/48/64/344374864.db2.gz XKPXRZORYRCNPD-UHFFFAOYSA-N 2 1 258.369 2.138 20 0 CEADMP Cc1[nH+]cc(CN2CCc3nc(C(C)C)ncc3C2)n1C ZINC000140557363 344398563 /nfs/dbraw/zinc/39/85/63/344398563.db2.gz MVQWCUZXQSXKOG-UHFFFAOYSA-N 2 1 285.395 2.200 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C2 ZINC000248976844 344626784 /nfs/dbraw/zinc/62/67/84/344626784.db2.gz DXYFGLMEKJQPME-ZBFHGGJFSA-N 2 1 288.435 2.484 20 0 CEADMP COC(=O)c1csc(C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000602518067 347064206 /nfs/dbraw/zinc/06/42/06/347064206.db2.gz MQMBIKBCQSMBCD-UHFFFAOYSA-N 2 1 293.392 2.220 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000307982686 344725788 /nfs/dbraw/zinc/72/57/88/344725788.db2.gz NXUXPQXPBIVFLF-LSDHHAIUSA-N 2 1 276.428 2.236 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000307982686 344725789 /nfs/dbraw/zinc/72/57/89/344725789.db2.gz NXUXPQXPBIVFLF-LSDHHAIUSA-N 2 1 276.428 2.236 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000319964229 344751169 /nfs/dbraw/zinc/75/11/69/344751169.db2.gz HQWOTRXEKLZWOE-MGPQQGTHSA-N 2 1 282.428 2.181 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000313780003 344743537 /nfs/dbraw/zinc/74/35/37/344743537.db2.gz QHXHLKNVZFLHLE-HZPDHXFCSA-N 2 1 295.471 2.131 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]Cc1cccc2ccccc21)C1CC1 ZINC000314147978 344744562 /nfs/dbraw/zinc/74/45/62/344744562.db2.gz IOAYQQVOTHNPEP-KRWDZBQOSA-N 2 1 284.403 2.385 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cccc2ccccc21)C1CC1 ZINC000314147978 344744565 /nfs/dbraw/zinc/74/45/65/344744565.db2.gz IOAYQQVOTHNPEP-KRWDZBQOSA-N 2 1 284.403 2.385 20 0 CEADMP N#Cc1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000388801928 344834092 /nfs/dbraw/zinc/83/40/92/344834092.db2.gz PHRRJCYMFVHAEJ-HOTGVXAUSA-N 2 1 255.365 2.119 20 0 CEADMP N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000388801928 344834094 /nfs/dbraw/zinc/83/40/94/344834094.db2.gz PHRRJCYMFVHAEJ-HOTGVXAUSA-N 2 1 255.365 2.119 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000568051512 299114031 /nfs/dbraw/zinc/11/40/31/299114031.db2.gz PCURQRGGJJFKAA-INIZCTEOSA-N 2 1 264.413 2.212 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000568051512 299114034 /nfs/dbraw/zinc/11/40/34/299114034.db2.gz PCURQRGGJJFKAA-INIZCTEOSA-N 2 1 264.413 2.212 20 0 CEADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000584767786 344984306 /nfs/dbraw/zinc/98/43/06/344984306.db2.gz IKHIFQLKJBDIAS-WFASDCNBSA-N 2 1 293.386 2.275 20 0 CEADMP CC[N@H+](C)C[C@@H](O)CN(C)[C@@H](C)Cc1ccccc1C ZINC000584789010 344987556 /nfs/dbraw/zinc/98/75/56/344987556.db2.gz UDUPXWIMZNMHMZ-DOTOQJQBSA-N 2 1 278.440 2.170 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN(C)[C@@H](C)Cc1ccccc1C ZINC000584789010 344987559 /nfs/dbraw/zinc/98/75/59/344987559.db2.gz UDUPXWIMZNMHMZ-DOTOQJQBSA-N 2 1 278.440 2.170 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)Cc1ccccc1C ZINC000584789010 344987560 /nfs/dbraw/zinc/98/75/60/344987560.db2.gz UDUPXWIMZNMHMZ-DOTOQJQBSA-N 2 1 278.440 2.170 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)Cc1ccccc1C ZINC000584789010 344987564 /nfs/dbraw/zinc/98/75/64/344987564.db2.gz UDUPXWIMZNMHMZ-DOTOQJQBSA-N 2 1 278.440 2.170 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000584789010 344987566 /nfs/dbraw/zinc/98/75/66/344987566.db2.gz UDUPXWIMZNMHMZ-DOTOQJQBSA-N 2 1 278.440 2.170 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000584789010 344987568 /nfs/dbraw/zinc/98/75/68/344987568.db2.gz UDUPXWIMZNMHMZ-DOTOQJQBSA-N 2 1 278.440 2.170 20 0 CEADMP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cccs1 ZINC000568154081 299116753 /nfs/dbraw/zinc/11/67/53/299116753.db2.gz NEBLHXYKSMQRFU-JTQLQIEISA-N 2 1 291.424 2.184 20 0 CEADMP Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591866789 345289684 /nfs/dbraw/zinc/28/96/84/345289684.db2.gz FVNDJYCWCWMLAS-OAHLLOKOSA-N 2 1 298.390 2.467 20 0 CEADMP Cc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591866789 345289689 /nfs/dbraw/zinc/28/96/89/345289689.db2.gz FVNDJYCWCWMLAS-OAHLLOKOSA-N 2 1 298.390 2.467 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591866829 345289927 /nfs/dbraw/zinc/28/99/27/345289927.db2.gz GYBYZWODPRCUQX-GJZGRUSLSA-N 2 1 292.427 2.215 20 0 CEADMP CCCCCNC(=O)[C@H](C)N1CCC[C@H](n2ccnc2)C1 ZINC000591866829 345289930 /nfs/dbraw/zinc/28/99/30/345289930.db2.gz GYBYZWODPRCUQX-GJZGRUSLSA-N 2 1 292.427 2.215 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000592378159 345348159 /nfs/dbraw/zinc/34/81/59/345348159.db2.gz ICFVZKHWTJKMQV-GXTWGEPZSA-N 2 1 282.428 2.181 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(C(=O)OC)co1 ZINC000593316735 345465424 /nfs/dbraw/zinc/46/54/24/345465424.db2.gz HMMMBQJRVPADMC-UHFFFAOYSA-N 2 1 288.347 2.075 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593314932 345465431 /nfs/dbraw/zinc/46/54/31/345465431.db2.gz HVGARWWJQAOQBA-QWHCGFSZSA-N 2 1 270.417 2.025 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000336786924 365805367 /nfs/dbraw/zinc/80/53/67/365805367.db2.gz JSXMYDUJZLMBGB-OAHLLOKOSA-N 2 1 254.418 2.254 20 0 CEADMP CCOC(=O)[C@@H]([NH2+]CC1CC[NH2+]CC1)C1CCCCCC1 ZINC000594583614 345651433 /nfs/dbraw/zinc/65/14/33/345651433.db2.gz YTQNZGUCVYGJMM-INIZCTEOSA-N 2 1 296.455 2.478 20 0 CEADMP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000594915009 345699978 /nfs/dbraw/zinc/69/99/78/345699978.db2.gz OLBOPPZXBPPUKY-CWRNSKLLSA-N 2 1 296.455 2.428 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H](C(=O)OC(C)(C)C)C2CCC2)CC1 ZINC000596064586 345931691 /nfs/dbraw/zinc/93/16/91/345931691.db2.gz XEYZRSYDRYOUCJ-HNNXBMFYSA-N 2 1 296.455 2.428 20 0 CEADMP CSCCC[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000597125666 346131267 /nfs/dbraw/zinc/13/12/67/346131267.db2.gz HFWAHBSWSYQXIV-UHFFFAOYSA-N 2 1 276.409 2.452 20 0 CEADMP COC(=O)c1oc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000597151629 346136360 /nfs/dbraw/zinc/13/63/60/346136360.db2.gz QIKYESHQTKPQFI-CYBMUJFWSA-N 2 1 294.395 2.196 20 0 CEADMP CCOC1(C)CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000336788199 365808983 /nfs/dbraw/zinc/80/89/83/365808983.db2.gz GNKHBIKJNGYGEG-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)n1ccc(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000085166710 539541442 /nfs/dbraw/zinc/54/14/42/539541442.db2.gz GGHMQYKNCSUTDF-UHFFFAOYSA-N 2 1 250.390 2.025 20 0 CEADMP CCOC(=O)c1[nH]c(C)c(C[NH2+][C@H](C)CC[NH+](C)C)c1C ZINC000598959141 346437746 /nfs/dbraw/zinc/43/77/46/346437746.db2.gz DRNORLIPGQVNRR-LLVKDONJSA-N 2 1 295.427 2.238 20 0 CEADMP COC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCCC1 ZINC000598967278 346439136 /nfs/dbraw/zinc/43/91/36/346439136.db2.gz CUXCLIPPNSZXQI-CYBMUJFWSA-N 2 1 282.428 2.182 20 0 CEADMP CCC(CC)(C[NH2+]C1CC[NH+](C2CC2)CC1)OC ZINC000336793704 365814569 /nfs/dbraw/zinc/81/45/69/365814569.db2.gz XZVNWMAPCQKXIB-UHFFFAOYSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nccs1 ZINC000063133754 362752267 /nfs/dbraw/zinc/75/22/67/362752267.db2.gz KKAUKDKJMFXJFT-WOPDTQHZSA-N 2 1 253.415 2.004 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCC2CCOCC2)CC[N@@H+]1C ZINC000336795487 365818307 /nfs/dbraw/zinc/81/83/07/365818307.db2.gz KXJVRIQELUYSRK-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCC2CCOCC2)CC[N@H+]1C ZINC000336795487 365818308 /nfs/dbraw/zinc/81/83/08/365818308.db2.gz KXJVRIQELUYSRK-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCC2CCOCC2)CC[NH+]1C ZINC000336795487 365818309 /nfs/dbraw/zinc/81/83/09/365818309.db2.gz KXJVRIQELUYSRK-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2CCOCC2)CC[NH+]1C ZINC000336795487 365818310 /nfs/dbraw/zinc/81/83/10/365818310.db2.gz KXJVRIQELUYSRK-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP OCCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC1 ZINC000459432852 290147713 /nfs/dbraw/zinc/14/77/13/290147713.db2.gz UNPKBLDTIOMXKZ-UHFFFAOYSA-N 2 1 266.429 2.146 20 0 CEADMP COC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000602610508 347101105 /nfs/dbraw/zinc/10/11/05/347101105.db2.gz YSSXCFRJMSRIJI-ZIAGYGMSSA-N 2 1 282.428 2.182 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCC[C@H]21 ZINC000599653652 346555849 /nfs/dbraw/zinc/55/58/49/346555849.db2.gz LCBIKNXLWCZUFA-OWCLPIDISA-N 2 1 296.455 2.382 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCC[C@H]21 ZINC000599653652 346555850 /nfs/dbraw/zinc/55/58/50/346555850.db2.gz LCBIKNXLWCZUFA-OWCLPIDISA-N 2 1 296.455 2.382 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000336801427 365832860 /nfs/dbraw/zinc/83/28/60/365832860.db2.gz QBGAPHMRLICEPD-OAGGEKHMSA-N 2 1 267.461 2.133 20 0 CEADMP CC[NH+]1CC[C@H](N(C)CC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000336801427 365832864 /nfs/dbraw/zinc/83/28/64/365832864.db2.gz QBGAPHMRLICEPD-OAGGEKHMSA-N 2 1 267.461 2.133 20 0 CEADMP CC[NH+]1CC[C@H](N(C)CC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000336801427 365832873 /nfs/dbraw/zinc/83/28/73/365832873.db2.gz QBGAPHMRLICEPD-OAGGEKHMSA-N 2 1 267.461 2.133 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000459440009 290150112 /nfs/dbraw/zinc/15/01/12/290150112.db2.gz NPDHXUAXSCQPNG-OWCLPIDISA-N 2 1 264.413 2.160 20 0 CEADMP CCSCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600729703 346679548 /nfs/dbraw/zinc/67/95/48/346679548.db2.gz ZXRQJOBBRDGVAP-ZJUUUORDSA-N 2 1 270.364 2.199 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C[C@@H]1c1ccccc1 ZINC000568049645 539548966 /nfs/dbraw/zinc/54/89/66/539548966.db2.gz RORCVYPLGPXMLC-DZOHQFGASA-N 2 1 286.419 2.349 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C[C@@H]1c1ccccc1 ZINC000568049645 539548970 /nfs/dbraw/zinc/54/89/70/539548970.db2.gz RORCVYPLGPXMLC-DZOHQFGASA-N 2 1 286.419 2.349 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459461952 290156078 /nfs/dbraw/zinc/15/60/78/290156078.db2.gz KWRKUSWSACPCKP-IUODEOHRSA-N 2 1 252.402 2.018 20 0 CEADMP CSC1(C[N@@H+](C)CCCN(C)CC[NH+](C)C)CCC1 ZINC000356313246 370654398 /nfs/dbraw/zinc/65/43/98/370654398.db2.gz DEBLACINURMAFC-UHFFFAOYSA-N 2 1 287.517 2.087 20 0 CEADMP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000129588754 365875477 /nfs/dbraw/zinc/87/54/77/365875477.db2.gz DXBLINHSUIWTSE-KFWWJZLASA-N 2 1 292.423 2.392 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CC[C@H]2CCC[NH+]2C)C1 ZINC000336821853 365871332 /nfs/dbraw/zinc/87/13/32/365871332.db2.gz JKIVRHCNIYUTKS-IAGOWNOFSA-N 2 1 279.472 2.134 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000336821853 365871336 /nfs/dbraw/zinc/87/13/36/365871336.db2.gz JKIVRHCNIYUTKS-IAGOWNOFSA-N 2 1 279.472 2.134 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000336821853 365871341 /nfs/dbraw/zinc/87/13/41/365871341.db2.gz JKIVRHCNIYUTKS-IAGOWNOFSA-N 2 1 279.472 2.134 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)nc2)[C@H](C)C1 ZINC000085822536 179183703 /nfs/dbraw/zinc/18/37/03/179183703.db2.gz CLXSZOSZASOVPP-HIFRSBDPSA-N 2 1 277.412 2.252 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)nc2)[C@H](C)C1 ZINC000085822536 179183705 /nfs/dbraw/zinc/18/37/05/179183705.db2.gz CLXSZOSZASOVPP-HIFRSBDPSA-N 2 1 277.412 2.252 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)nc2)[C@H](C)C1 ZINC000085822536 179183706 /nfs/dbraw/zinc/18/37/06/179183706.db2.gz CLXSZOSZASOVPP-HIFRSBDPSA-N 2 1 277.412 2.252 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)nc2)[C@H](C)C1 ZINC000085822536 179183707 /nfs/dbraw/zinc/18/37/07/179183707.db2.gz CLXSZOSZASOVPP-HIFRSBDPSA-N 2 1 277.412 2.252 20 0 CEADMP CCN(C#N)CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602813036 347209737 /nfs/dbraw/zinc/20/97/37/347209737.db2.gz WGPIOBSHZUFURK-HUUCEWRRSA-N 2 1 278.444 2.032 20 0 CEADMP CCN(C#N)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000602813036 347209740 /nfs/dbraw/zinc/20/97/40/347209740.db2.gz WGPIOBSHZUFURK-HUUCEWRRSA-N 2 1 278.444 2.032 20 0 CEADMP CO[C@@H](Cc1ccccc1)C[NH+]1CCC([NH+](C)C)CC1 ZINC000450253728 282527032 /nfs/dbraw/zinc/52/70/32/282527032.db2.gz PRQRJGAKXJGCSL-KRWDZBQOSA-N 2 1 276.424 2.270 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C(F)(F)F ZINC000459496097 290164296 /nfs/dbraw/zinc/16/42/96/290164296.db2.gz GLWIJFRWZNVBSL-VIFPVBQESA-N 2 1 250.308 2.401 20 0 CEADMP Cn1nccc1[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000336825399 365884217 /nfs/dbraw/zinc/88/42/17/365884217.db2.gz YKACZTIRWPHPPA-LSDHHAIUSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1nccc1[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000336825399 365884224 /nfs/dbraw/zinc/88/42/24/365884224.db2.gz YKACZTIRWPHPPA-LSDHHAIUSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1nccc1[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000336825399 365884227 /nfs/dbraw/zinc/88/42/27/365884227.db2.gz YKACZTIRWPHPPA-LSDHHAIUSA-N 2 1 276.428 2.084 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000128508933 187375215 /nfs/dbraw/zinc/37/52/15/187375215.db2.gz AZTYOCPVGMAZLS-AWEZNQCLSA-N 2 1 280.412 2.379 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCn2nc(C)cc2C)[C@@H](C)C1 ZINC000336825233 365885462 /nfs/dbraw/zinc/88/54/62/365885462.db2.gz XRSFUJGQLKRYPK-BBRMVZONSA-N 2 1 278.444 2.162 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCn2nc(C)cc2C)[C@@H](C)C1 ZINC000336825233 365885466 /nfs/dbraw/zinc/88/54/66/365885466.db2.gz XRSFUJGQLKRYPK-BBRMVZONSA-N 2 1 278.444 2.162 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2nc(C)cc2C)[C@@H](C)C1 ZINC000336825233 365885472 /nfs/dbraw/zinc/88/54/72/365885472.db2.gz XRSFUJGQLKRYPK-BBRMVZONSA-N 2 1 278.444 2.162 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC1(N(C)C)CCC1 ZINC000336827040 365889104 /nfs/dbraw/zinc/88/91/04/365889104.db2.gz BNRBJOIOPCYUTD-UHFFFAOYSA-N 2 1 278.444 2.388 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC1(N(C)C)CCC1 ZINC000336827040 365889107 /nfs/dbraw/zinc/88/91/07/365889107.db2.gz BNRBJOIOPCYUTD-UHFFFAOYSA-N 2 1 278.444 2.388 20 0 CEADMP CC(C)[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000336831879 365896813 /nfs/dbraw/zinc/89/68/13/365896813.db2.gz RZERIDIWQFEXMV-DLBZAZTESA-N 2 1 282.472 2.447 20 0 CEADMP C[NH+]1CCC([NH2+]CCCCC(=O)OC(C)(C)C)CC1 ZINC000611367803 347770809 /nfs/dbraw/zinc/77/08/09/347770809.db2.gz VOWCAUHHICOYFN-UHFFFAOYSA-N 2 1 270.417 2.182 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000351860301 219228719 /nfs/dbraw/zinc/22/87/19/219228719.db2.gz GPWVFKAPCMIOML-KCQAQPDRSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000351860301 219228721 /nfs/dbraw/zinc/22/87/21/219228721.db2.gz GPWVFKAPCMIOML-KCQAQPDRSA-N 2 1 289.423 2.245 20 0 CEADMP c1ccc2c(c1)OC[C@@H](C[NH2+]C1CC[NH+](C3CC3)CC1)O2 ZINC000336849135 365926439 /nfs/dbraw/zinc/92/64/39/365926439.db2.gz PWFHJZSFMYRJSG-OAHLLOKOSA-N 2 1 288.391 2.043 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000339415792 215157462 /nfs/dbraw/zinc/15/74/62/215157462.db2.gz UXZXPJYQOJIOHT-HOCLYGCPSA-N 2 1 261.413 2.382 20 0 CEADMP CCCCOCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339435072 215166851 /nfs/dbraw/zinc/16/68/51/215166851.db2.gz UIRHPDFFYZEHRZ-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP CCCCOCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339435072 215166852 /nfs/dbraw/zinc/16/68/52/215166852.db2.gz UIRHPDFFYZEHRZ-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP CCCCOCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339435072 215166855 /nfs/dbraw/zinc/16/68/55/215166855.db2.gz UIRHPDFFYZEHRZ-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP Cc1ccc([C@H]2CCCC[N@H+]2CCOCC[NH3+])cc1 ZINC000357092555 233005371 /nfs/dbraw/zinc/00/53/71/233005371.db2.gz XEXPOPQVXIEWMV-MRXNPFEDSA-N 2 1 262.397 2.497 20 0 CEADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335510 349990996 /nfs/dbraw/zinc/99/09/96/349990996.db2.gz QCESIJAOOQTWPR-AWEZNQCLSA-N 2 1 255.450 2.181 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2COc3ccccc3O2)CC1(C)C ZINC000623337601 349991453 /nfs/dbraw/zinc/99/14/53/349991453.db2.gz QCFDYSWDYAGZQZ-KGLIPLIRSA-N 2 1 290.407 2.289 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2COc3ccccc3O2)CC1(C)C ZINC000623337601 349991454 /nfs/dbraw/zinc/99/14/54/349991454.db2.gz QCFDYSWDYAGZQZ-KGLIPLIRSA-N 2 1 290.407 2.289 20 0 CEADMP CC[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCCC1 ZINC000623354747 349996521 /nfs/dbraw/zinc/99/65/21/349996521.db2.gz FBEBWWKHJLIMST-GJZGRUSLSA-N 2 1 267.461 2.323 20 0 CEADMP CCC(C)(CC)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000680997946 539703549 /nfs/dbraw/zinc/70/35/49/539703549.db2.gz LCSZFXCBYLCARV-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(C)(CC)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000680997946 539703553 /nfs/dbraw/zinc/70/35/53/539703553.db2.gz LCSZFXCBYLCARV-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC000459776002 290235721 /nfs/dbraw/zinc/23/57/21/290235721.db2.gz JUXVZGVJWDRKTI-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP CCCC(=O)NC1CC[NH+](CCC[NH+](CC)CC)CC1 ZINC000619231212 349144581 /nfs/dbraw/zinc/14/45/81/349144581.db2.gz LIILQBWPVWHLJS-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCCn2ccnc2)CC1(C)C ZINC000623371860 350002594 /nfs/dbraw/zinc/00/25/94/350002594.db2.gz WIIPORITGSHDPH-CQSZACIVSA-N 2 1 264.417 2.126 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000568868982 299161673 /nfs/dbraw/zinc/16/16/73/299161673.db2.gz GCWGDXVLLFRPCP-PBHICJAKSA-N 2 1 295.471 2.145 20 0 CEADMP O[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411234939 233231911 /nfs/dbraw/zinc/23/19/11/233231911.db2.gz GKFKXZKQNZZIMO-KRWDZBQOSA-N 2 1 274.408 2.239 20 0 CEADMP CCOC1CC(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000352043230 219300116 /nfs/dbraw/zinc/30/01/16/219300116.db2.gz BIUOCAPFTOUJNR-NFOMZHRRSA-N 2 1 254.418 2.075 20 0 CEADMP CCOC1CC(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000352043230 219300119 /nfs/dbraw/zinc/30/01/19/219300119.db2.gz BIUOCAPFTOUJNR-NFOMZHRRSA-N 2 1 254.418 2.075 20 0 CEADMP CCOC1CC(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000352043230 219300121 /nfs/dbraw/zinc/30/01/21/219300121.db2.gz BIUOCAPFTOUJNR-NFOMZHRRSA-N 2 1 254.418 2.075 20 0 CEADMP CCN1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000459799729 290245088 /nfs/dbraw/zinc/24/50/88/290245088.db2.gz ZATFTGJCXPKUOY-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623472249 350028755 /nfs/dbraw/zinc/02/87/55/350028755.db2.gz JIHAOMYAXOQOFU-ZIAGYGMSSA-N 2 1 270.461 2.492 20 0 CEADMP CCCn1cc(CNC[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623655683 350075219 /nfs/dbraw/zinc/07/52/19/350075219.db2.gz BVPAWHPPBBHXLX-AWEZNQCLSA-N 2 1 264.417 2.115 20 0 CEADMP CCCn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cn1 ZINC000623655683 350075222 /nfs/dbraw/zinc/07/52/22/350075222.db2.gz BVPAWHPPBBHXLX-AWEZNQCLSA-N 2 1 264.417 2.115 20 0 CEADMP CCCn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623655683 350075224 /nfs/dbraw/zinc/07/52/24/350075224.db2.gz BVPAWHPPBBHXLX-AWEZNQCLSA-N 2 1 264.417 2.115 20 0 CEADMP Cc1noc(C)c1CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000623656262 350075850 /nfs/dbraw/zinc/07/58/50/350075850.db2.gz QLPDUXJZBQWLQT-ZDUSSCGKSA-N 2 1 251.374 2.113 20 0 CEADMP CC(C)n1cncc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657446 350077205 /nfs/dbraw/zinc/07/72/05/350077205.db2.gz RABMKOQPLMTAOR-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP CC(C)n1cncc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657446 350077210 /nfs/dbraw/zinc/07/72/10/350077210.db2.gz RABMKOQPLMTAOR-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)CC1(C)C ZINC000623530479 350042359 /nfs/dbraw/zinc/04/23/59/350042359.db2.gz ZUUNLGFVDBHCNY-MDZLAQPJSA-N 2 1 294.361 2.295 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](CCc2cncs2)CC1 ZINC000411641720 233265488 /nfs/dbraw/zinc/26/54/88/233265488.db2.gz XEIZYXQCYNAEJB-GFCCVEGCSA-N 2 1 253.415 2.102 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2cncs2)CC1 ZINC000411641720 233265491 /nfs/dbraw/zinc/26/54/91/233265491.db2.gz XEIZYXQCYNAEJB-GFCCVEGCSA-N 2 1 253.415 2.102 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)CC1(C)C ZINC000623542281 350045611 /nfs/dbraw/zinc/04/56/11/350045611.db2.gz UPNQVTYPLBPLOM-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623546744 350046818 /nfs/dbraw/zinc/04/68/18/350046818.db2.gz PYXNJARLPKZLMG-MELADBBJSA-N 2 1 254.418 2.405 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623547410 350047968 /nfs/dbraw/zinc/04/79/68/350047968.db2.gz OORNMDQIILGLFQ-ZDUSSCGKSA-N 2 1 272.396 2.384 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[C@H](C)O1 ZINC000623550233 350048012 /nfs/dbraw/zinc/04/80/12/350048012.db2.gz GGCWLMWWPVIIHT-RQJABVFESA-N 2 1 254.418 2.262 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H](O)C(C)C ZINC000623550739 350048895 /nfs/dbraw/zinc/04/88/95/350048895.db2.gz ZWCKTSOZNJMZDW-RDBSUJKOSA-N 2 1 256.434 2.244 20 0 CEADMP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623562888 350051258 /nfs/dbraw/zinc/05/12/58/350051258.db2.gz GWMYXWDYWGGWLR-ZJIFWQFVSA-N 2 1 298.471 2.015 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623570282 350053193 /nfs/dbraw/zinc/05/31/93/350053193.db2.gz NQSUEPGYNOYMFA-CYBMUJFWSA-N 2 1 276.428 2.260 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623570282 350053196 /nfs/dbraw/zinc/05/31/96/350053196.db2.gz NQSUEPGYNOYMFA-CYBMUJFWSA-N 2 1 276.428 2.260 20 0 CEADMP C[N@@H+](CCOc1ccccc1)CCC1CC[NH2+]CC1 ZINC000090693978 180026196 /nfs/dbraw/zinc/02/61/96/180026196.db2.gz KBRVFPMAFXAXID-UHFFFAOYSA-N 2 1 262.397 2.387 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)CC[N@H+]1C ZINC000090721844 180031363 /nfs/dbraw/zinc/03/13/63/180031363.db2.gz IWNFEEMBHLNRAC-ZBFHGGJFSA-N 2 1 284.407 2.445 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1C ZINC000090720497 180030002 /nfs/dbraw/zinc/03/00/02/180030002.db2.gz JIPLIYWPIGROQW-HIFRSBDPSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1C ZINC000090720497 180030003 /nfs/dbraw/zinc/03/00/03/180030003.db2.gz JIPLIYWPIGROQW-HIFRSBDPSA-N 2 1 295.471 2.096 20 0 CEADMP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120729 350199016 /nfs/dbraw/zinc/19/90/16/350199016.db2.gz FSVVZLMZLNRDMA-HUUCEWRRSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000624183628 350222080 /nfs/dbraw/zinc/22/20/80/350222080.db2.gz XSBZVVGNYVUTNG-GFISCPRKSA-N 2 1 296.455 2.031 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000624123701 350200993 /nfs/dbraw/zinc/20/09/93/350200993.db2.gz RCPKOBHAPJYWJF-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@@H]1C ZINC000091662220 180220297 /nfs/dbraw/zinc/22/02/97/180220297.db2.gz WMQBJXLFSMKFEK-LYYZXLFJSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@@H]1C ZINC000091662220 180220299 /nfs/dbraw/zinc/22/02/99/180220299.db2.gz WMQBJXLFSMKFEK-LYYZXLFJSA-N 2 1 266.429 2.264 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)[C@H]2CCC[C@@H]21 ZINC000624223453 350234152 /nfs/dbraw/zinc/23/41/52/350234152.db2.gz UUKKWLKTFIMZQF-QRJUGERDSA-N 2 1 264.413 2.016 20 0 CEADMP COc1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)c1OC ZINC000091844243 180269173 /nfs/dbraw/zinc/26/91/73/180269173.db2.gz ZCFSLYICPKZBFG-UHFFFAOYSA-N 2 1 278.396 2.406 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000352178075 219345929 /nfs/dbraw/zinc/34/59/29/219345929.db2.gz JKABJPKDBYRYLW-HUUCEWRRSA-N 2 1 283.460 2.001 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000339727542 215316323 /nfs/dbraw/zinc/31/63/23/215316323.db2.gz FZMGYPHRDCZJJS-HNNXBMFYSA-N 2 1 279.428 2.358 20 0 CEADMP C[NH+](CCCCC[N@H+](C)CC1(C)COC1)CC1(C)COC1 ZINC000625791275 350571786 /nfs/dbraw/zinc/57/17/86/350571786.db2.gz HZUDZKASBXQZQW-UHFFFAOYSA-N 2 1 298.471 2.093 20 0 CEADMP Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000130614613 365974245 /nfs/dbraw/zinc/97/42/45/365974245.db2.gz DNYXPHNCLKBQJK-UHTWSYAYSA-N 2 1 251.399 2.011 20 0 CEADMP Cc1nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000130614613 365974249 /nfs/dbraw/zinc/97/42/49/365974249.db2.gz DNYXPHNCLKBQJK-UHTWSYAYSA-N 2 1 251.399 2.011 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3n[nH]cc32)CC[N@@H+]1C ZINC000628183685 350994818 /nfs/dbraw/zinc/99/48/18/350994818.db2.gz KEEVHZVKHIMGLB-GXTWGEPZSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3n[nH]cc32)CC[N@H+]1C ZINC000628183685 350994820 /nfs/dbraw/zinc/99/48/20/350994820.db2.gz KEEVHZVKHIMGLB-GXTWGEPZSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc3n[nH]cc32)CC[NH+]1C ZINC000628183685 350994822 /nfs/dbraw/zinc/99/48/22/350994822.db2.gz KEEVHZVKHIMGLB-GXTWGEPZSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3n[nH]cc32)CC[NH+]1C ZINC000628183685 350994826 /nfs/dbraw/zinc/99/48/26/350994826.db2.gz KEEVHZVKHIMGLB-GXTWGEPZSA-N 2 1 272.396 2.477 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000628410250 351094379 /nfs/dbraw/zinc/09/43/79/351094379.db2.gz IGDMAQCCQCOJFF-BETUJISGSA-N 2 1 254.337 2.027 20 0 CEADMP CC[NH+](CC)CCCNCc1ncc(C[NH+](C)C)s1 ZINC000352241750 219378756 /nfs/dbraw/zinc/37/87/56/219378756.db2.gz NLXXVBKBZSJLFD-UHFFFAOYSA-N 2 1 284.473 2.026 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C12CCCC2 ZINC000629543547 351404856 /nfs/dbraw/zinc/40/48/56/351404856.db2.gz BUYYXRDKNRAVGU-REWJHTLYSA-N 2 1 252.402 2.064 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CC[C@@H](C[NH3+])C3)cc2c1 ZINC000629511948 351382037 /nfs/dbraw/zinc/38/20/37/351382037.db2.gz NWPNVOBRPANWAM-ZDUSSCGKSA-N 2 1 255.365 2.324 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1nccc2ccccc21 ZINC000629521275 351387567 /nfs/dbraw/zinc/38/75/67/351387567.db2.gz OYXMKCXSKHAEPB-ZDUSSCGKSA-N 2 1 285.391 2.393 20 0 CEADMP C[NH2+]CCOCC[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000629529895 351395294 /nfs/dbraw/zinc/39/52/94/351395294.db2.gz PVVCKWGBLNAHCM-LLVKDONJSA-N 2 1 271.430 2.153 20 0 CEADMP Cc1cncc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000629534408 351397218 /nfs/dbraw/zinc/39/72/18/351397218.db2.gz YKKRHRZZZFYCRT-HOTGVXAUSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ccc2ncc(C[N@@H+]3CCCO[C@H](C[NH3+])C3)cc2c1 ZINC000629535473 351398522 /nfs/dbraw/zinc/39/85/22/351398522.db2.gz DCGSDEYBIOYMTL-MRXNPFEDSA-N 2 1 285.391 2.093 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CCCO[C@H](C[NH3+])C3)cc2c1 ZINC000629535473 351398526 /nfs/dbraw/zinc/39/85/26/351398526.db2.gz DCGSDEYBIOYMTL-MRXNPFEDSA-N 2 1 285.391 2.093 20 0 CEADMP Cc1cncc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000629540142 351401509 /nfs/dbraw/zinc/40/15/09/351401509.db2.gz UPOZJDLGWIIBMO-CQSZACIVSA-N 2 1 259.397 2.354 20 0 CEADMP C[C@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C[C@H]1C[NH3+] ZINC000629648597 351447010 /nfs/dbraw/zinc/44/70/10/351447010.db2.gz RSDRKUIZLQXUEM-XJKSGUPXSA-N 2 1 272.392 2.379 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(C3CC3)cc2)CCOCC1 ZINC000629653003 351451185 /nfs/dbraw/zinc/45/11/85/351451185.db2.gz DOHXGOIBWWOVPJ-UHFFFAOYSA-N 2 1 260.381 2.162 20 0 CEADMP C[C@H](CCc1ccccc1)C[N@@H+](C)CCOCC[NH3+] ZINC000629662914 351455903 /nfs/dbraw/zinc/45/59/03/351455903.db2.gz IDZYKMJCROXSDZ-OAHLLOKOSA-N 2 1 264.413 2.162 20 0 CEADMP CCO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C1CC1 ZINC000629550654 351410043 /nfs/dbraw/zinc/41/00/43/351410043.db2.gz ZUNKPQALWMRRGY-VVLHAWIVSA-N 2 1 296.455 2.162 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C12CCCCC2 ZINC000629553213 351411054 /nfs/dbraw/zinc/41/10/54/351411054.db2.gz BEDNBIOIAWJAED-MCIONIFRSA-N 2 1 252.402 2.066 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CCC1 ZINC000629565037 351416167 /nfs/dbraw/zinc/41/61/67/351416167.db2.gz UPVKGVGBKRWROY-YNEHKIRRSA-N 2 1 294.361 2.261 20 0 CEADMP C[N@H+](CCOCC[NH3+])Cc1cc(Cl)ccc1Cl ZINC000629578653 351421115 /nfs/dbraw/zinc/42/11/15/351421115.db2.gz KUNLXLHLJOFFGE-UHFFFAOYSA-N 2 1 277.195 2.401 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1cc(Cl)ccc1Cl ZINC000629578653 351421119 /nfs/dbraw/zinc/42/11/19/351421119.db2.gz KUNLXLHLJOFFGE-UHFFFAOYSA-N 2 1 277.195 2.401 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1cccc(C(F)F)c1 ZINC000629580739 351422218 /nfs/dbraw/zinc/42/22/18/351422218.db2.gz GJTSCBNYJVHGGQ-UHFFFAOYSA-N 2 1 258.312 2.031 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000629585274 351424097 /nfs/dbraw/zinc/42/40/97/351424097.db2.gz PIZYLYKNOXIKSM-HDICACEKSA-N 2 1 297.402 2.372 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000629585274 351424101 /nfs/dbraw/zinc/42/41/01/351424101.db2.gz PIZYLYKNOXIKSM-HDICACEKSA-N 2 1 297.402 2.372 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2ccccc2F)C1 ZINC000070170821 363043169 /nfs/dbraw/zinc/04/31/69/363043169.db2.gz NFWYHXADYVWCCI-ZDUSSCGKSA-N 2 1 266.360 2.265 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000070170560 363043346 /nfs/dbraw/zinc/04/33/46/363043346.db2.gz FNLVKGBYOYMPMX-HNNXBMFYSA-N 2 1 289.423 2.303 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070169733 363043755 /nfs/dbraw/zinc/04/37/55/363043755.db2.gz ZWFHREHPPVBHQM-ZDUSSCGKSA-N 2 1 276.380 2.034 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc(OC)c1 ZINC000070171943 363045481 /nfs/dbraw/zinc/04/54/81/363045481.db2.gz IBAFVLQHKQBRFE-GXTWGEPZSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000070174620 363048932 /nfs/dbraw/zinc/04/89/32/363048932.db2.gz ZQQHDKWLHRKAGS-CHWSQXEVSA-N 2 1 293.386 2.214 20 0 CEADMP C[NH+](C)C1(CNC(=O)C[N@H+](C)C2CCC2)CCCCCC1 ZINC000629945606 351546889 /nfs/dbraw/zinc/54/68/89/351546889.db2.gz QNFIYPJEXRENGN-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2nc(C(C)C)no2)CC1 ZINC000070189836 363051985 /nfs/dbraw/zinc/05/19/85/363051985.db2.gz BDWWCXQXWCDXPH-UHFFFAOYSA-N 2 1 266.389 2.015 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](NCc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000630075747 351605498 /nfs/dbraw/zinc/60/54/98/351605498.db2.gz GOEIMDSBFRPYPK-KRWDZBQOSA-N 2 1 287.451 2.200 20 0 CEADMP C[C@H](C[NH2+]Cc1cnn(Cc2ccccc2)c1)C[NH+](C)C ZINC000291673114 198058267 /nfs/dbraw/zinc/05/82/67/198058267.db2.gz GSDZFBPJPQJNQZ-OAHLLOKOSA-N 2 1 286.423 2.219 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCSc1ccccc1 ZINC000131706191 366078557 /nfs/dbraw/zinc/07/85/57/366078557.db2.gz MQDCBCINOSIAEN-CHWSQXEVSA-N 2 1 250.411 2.448 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000122163623 187018879 /nfs/dbraw/zinc/01/88/79/187018879.db2.gz HZCIYJAODSEQCE-GVXVVHGQSA-N 2 1 294.361 2.152 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000122163623 187018880 /nfs/dbraw/zinc/01/88/80/187018880.db2.gz HZCIYJAODSEQCE-GVXVVHGQSA-N 2 1 294.361 2.152 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)nc2)CC[N@H+]1C ZINC000122683764 187045842 /nfs/dbraw/zinc/04/58/42/187045842.db2.gz KPDPXPYZMHPOEC-DGCLKSJQSA-N 2 1 267.804 2.350 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC000631196236 352010530 /nfs/dbraw/zinc/01/05/30/352010530.db2.gz PGOYPZWWJLKCFQ-YJBOKZPZSA-N 2 1 298.434 2.278 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC000631196236 352010535 /nfs/dbraw/zinc/01/05/35/352010535.db2.gz PGOYPZWWJLKCFQ-YJBOKZPZSA-N 2 1 298.434 2.278 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1(C)COC1 ZINC000631197450 352011381 /nfs/dbraw/zinc/01/13/81/352011381.db2.gz ZIHKFHISKGOJKH-NVXWUHKLSA-N 2 1 288.435 2.381 20 0 CEADMP Cc1cc2ncc([C@@H](C)[NH2+]CCn3cc[nH+]c3C)c(C)n2n1 ZINC000271499944 191177213 /nfs/dbraw/zinc/17/72/13/191177213.db2.gz LJGXEDCZHQWNIS-GFCCVEGCSA-N 2 1 298.394 2.202 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]CC2CCCCC2)CC1 ZINC000178919709 542252274 /nfs/dbraw/zinc/25/22/74/542252274.db2.gz BIXIIENEJJIQHD-UHFFFAOYSA-N 2 1 267.461 2.184 20 0 CEADMP COc1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292247459 198217109 /nfs/dbraw/zinc/21/71/09/198217109.db2.gz XJRBOZORTCGLJO-INIZCTEOSA-N 2 1 260.381 2.223 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292247459 198217110 /nfs/dbraw/zinc/21/71/10/198217110.db2.gz XJRBOZORTCGLJO-INIZCTEOSA-N 2 1 260.381 2.223 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292247459 198217111 /nfs/dbraw/zinc/21/71/11/198217111.db2.gz XJRBOZORTCGLJO-INIZCTEOSA-N 2 1 260.381 2.223 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCN2CCc3ccccc32)CC[N@@H+]1C ZINC000292342157 198252362 /nfs/dbraw/zinc/25/23/62/198252362.db2.gz CZTJWKOSWHRZOS-DOTOQJQBSA-N 2 1 287.451 2.464 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCN2CCc3ccccc32)CC[N@H+]1C ZINC000292342157 198252364 /nfs/dbraw/zinc/25/23/64/198252364.db2.gz CZTJWKOSWHRZOS-DOTOQJQBSA-N 2 1 287.451 2.464 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CCN2CCc3ccccc32)CC[NH+]1C ZINC000292342157 198252366 /nfs/dbraw/zinc/25/23/66/198252366.db2.gz CZTJWKOSWHRZOS-DOTOQJQBSA-N 2 1 287.451 2.464 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCN2CCc3ccccc32)CC[NH+]1C ZINC000292342157 198252368 /nfs/dbraw/zinc/25/23/68/198252368.db2.gz CZTJWKOSWHRZOS-DOTOQJQBSA-N 2 1 287.451 2.464 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000251755166 539990887 /nfs/dbraw/zinc/99/08/87/539990887.db2.gz LOXAVEBBMMTSIX-DOTOQJQBSA-N 2 1 284.407 2.432 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000251755166 539990891 /nfs/dbraw/zinc/99/08/91/539990891.db2.gz LOXAVEBBMMTSIX-DOTOQJQBSA-N 2 1 284.407 2.432 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2sc(C)nc2C)CC[C@H]1[NH3+] ZINC000251840636 539992393 /nfs/dbraw/zinc/99/23/93/539992393.db2.gz QTPBJQHLGVKYML-NWDGAFQWSA-N 2 1 253.415 2.319 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000157637422 188329563 /nfs/dbraw/zinc/32/95/63/188329563.db2.gz HROKBBDNRIINIG-KOZAUXTDSA-N 2 1 280.387 2.177 20 0 CEADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)[C@H]1C[NH3+] ZINC000252119200 539999449 /nfs/dbraw/zinc/99/94/49/539999449.db2.gz JBHIROHWBIIOGN-WFASDCNBSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)[C@H]1C[NH3+] ZINC000252119200 539999452 /nfs/dbraw/zinc/99/94/52/539999452.db2.gz JBHIROHWBIIOGN-WFASDCNBSA-N 2 1 293.386 2.214 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000157991887 188351936 /nfs/dbraw/zinc/35/19/36/188351936.db2.gz ZAPBOEVAQQLIPS-BZUAXINKSA-N 2 1 278.371 2.076 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1C ZINC000629667849 540001811 /nfs/dbraw/zinc/00/18/11/540001811.db2.gz VEOCICJKOOYHNH-CALCHBBNSA-N 2 1 274.408 2.435 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1C ZINC000629667849 540001815 /nfs/dbraw/zinc/00/18/15/540001815.db2.gz VEOCICJKOOYHNH-CALCHBBNSA-N 2 1 274.408 2.435 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CCn1cccn1 ZINC000158820075 188395868 /nfs/dbraw/zinc/39/58/68/188395868.db2.gz YEQHEZQXPVDMHN-KBPBESRZSA-N 2 1 275.400 2.093 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292717432 198386936 /nfs/dbraw/zinc/38/69/36/198386936.db2.gz DYAYSWCVTLHBOQ-QGZVFWFLSA-N 2 1 274.408 2.361 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292717432 198386938 /nfs/dbraw/zinc/38/69/38/198386938.db2.gz DYAYSWCVTLHBOQ-QGZVFWFLSA-N 2 1 274.408 2.361 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292717432 198386940 /nfs/dbraw/zinc/38/69/40/198386940.db2.gz DYAYSWCVTLHBOQ-QGZVFWFLSA-N 2 1 274.408 2.361 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c(C)n1 ZINC000132128338 366119780 /nfs/dbraw/zinc/11/97/80/366119780.db2.gz LZRQDYQVJBSKSS-NSHDSACASA-N 2 1 264.417 2.332 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000495044447 291012912 /nfs/dbraw/zinc/01/29/12/291012912.db2.gz JTPRSVNVRVCWEZ-XYVMCAHJSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000495044447 291012918 /nfs/dbraw/zinc/01/29/18/291012918.db2.gz JTPRSVNVRVCWEZ-XYVMCAHJSA-N 2 1 288.435 2.258 20 0 CEADMP CC[C@@H](C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000337309303 366139161 /nfs/dbraw/zinc/13/91/61/366139161.db2.gz YZFASWXBSFTKFA-OAGGEKHMSA-N 2 1 298.471 2.375 20 0 CEADMP CC[C@@H](C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000337309303 366139168 /nfs/dbraw/zinc/13/91/68/366139168.db2.gz YZFASWXBSFTKFA-OAGGEKHMSA-N 2 1 298.471 2.375 20 0 CEADMP COC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(F)c(F)c1 ZINC000271738416 191298723 /nfs/dbraw/zinc/29/87/23/191298723.db2.gz URLJURYNKUVVAF-OAHLLOKOSA-N 2 1 295.333 2.447 20 0 CEADMP CO[C@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C[C@H]1C ZINC000451555724 283033689 /nfs/dbraw/zinc/03/36/89/283033689.db2.gz CBNBJZCBKGTYBM-HIFRSBDPSA-N 2 1 265.401 2.329 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C[C@H]1C ZINC000451555724 283033692 /nfs/dbraw/zinc/03/36/92/283033692.db2.gz CBNBJZCBKGTYBM-HIFRSBDPSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451615243 283051698 /nfs/dbraw/zinc/05/16/98/283051698.db2.gz TWKZLRGGMDVQHY-IRXDYDNUSA-N 2 1 291.439 2.358 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)C(C)(C)C)C1 ZINC000336790470 283061247 /nfs/dbraw/zinc/06/12/47/283061247.db2.gz XDFKXWFKXDVBBH-UONOGXRCSA-N 2 1 256.434 2.057 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000336790470 283061251 /nfs/dbraw/zinc/06/12/51/283061251.db2.gz XDFKXWFKXDVBBH-UONOGXRCSA-N 2 1 256.434 2.057 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000336790470 283061254 /nfs/dbraw/zinc/06/12/54/283061254.db2.gz XDFKXWFKXDVBBH-UONOGXRCSA-N 2 1 256.434 2.057 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451647474 283063967 /nfs/dbraw/zinc/06/39/67/283063967.db2.gz IRGXDGHNZCGGPM-AWEZNQCLSA-N 2 1 265.426 2.409 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCSC[C@H]1C1CC1 ZINC000451647474 283063969 /nfs/dbraw/zinc/06/39/69/283063969.db2.gz IRGXDGHNZCGGPM-AWEZNQCLSA-N 2 1 265.426 2.409 20 0 CEADMP COC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC000271832493 191355523 /nfs/dbraw/zinc/35/55/23/191355523.db2.gz SEGAIDPHLSWRBO-HNNXBMFYSA-N 2 1 259.353 2.169 20 0 CEADMP CC[C@@H]1CN(CC)CC[N@H+]1CCCCn1ccnc1C ZINC000451740388 283088734 /nfs/dbraw/zinc/08/87/34/283088734.db2.gz LRKUFGNNNJVXNL-MRXNPFEDSA-N 2 1 278.444 2.388 20 0 CEADMP CCCn1nc(C)c(C[NH2+]CC2=CC[N@@H+](C)CC2)c1C ZINC000271873064 191381936 /nfs/dbraw/zinc/38/19/36/191381936.db2.gz YGVWWWCISZBCPS-UHFFFAOYSA-N 2 1 276.428 2.261 20 0 CEADMP C[N@@H+](C[C@@H]1CCOc2ccccc21)CC(C)(C)C[NH3+] ZINC000162076413 540147124 /nfs/dbraw/zinc/14/71/24/540147124.db2.gz QRFHFJLTCIMREQ-ZDUSSCGKSA-N 2 1 262.397 2.469 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)[C@H](CN)C1 ZINC000261599891 540149348 /nfs/dbraw/zinc/14/93/48/540149348.db2.gz VTPBEKOUPVJCAP-PBHICJAKSA-N 3 1 284.407 2.432 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)[C@H](CN)C1 ZINC000261599891 540149352 /nfs/dbraw/zinc/14/93/52/540149352.db2.gz VTPBEKOUPVJCAP-PBHICJAKSA-N 3 1 284.407 2.432 20 0 CEADMP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000347307048 540156066 /nfs/dbraw/zinc/15/60/66/540156066.db2.gz HZDSAROSVWLPBL-KKUMJFAQSA-N 2 1 255.450 2.037 20 0 CEADMP CC[C@H](C)[NH+]1CCN(CCCCn2cc[nH+]c2C)CC1 ZINC000451832682 283119960 /nfs/dbraw/zinc/11/99/60/283119960.db2.gz CBIGVZRIPDJJEF-HNNXBMFYSA-N 2 1 278.444 2.388 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000367596970 283134707 /nfs/dbraw/zinc/13/47/07/283134707.db2.gz KVNUZCZVEGPPAJ-BZSNNMDCSA-N 3 1 291.483 2.323 20 0 CEADMP CN1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000367596970 283134710 /nfs/dbraw/zinc/13/47/10/283134710.db2.gz KVNUZCZVEGPPAJ-BZSNNMDCSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000452062138 283173860 /nfs/dbraw/zinc/17/38/60/283173860.db2.gz RMKHMWAPUJDWTI-CTASWTNQSA-N 2 1 268.445 2.246 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000452062138 283173864 /nfs/dbraw/zinc/17/38/64/283173864.db2.gz RMKHMWAPUJDWTI-CTASWTNQSA-N 2 1 268.445 2.246 20 0 CEADMP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC[NH3+] ZINC000414756063 540245782 /nfs/dbraw/zinc/24/57/82/540245782.db2.gz QDVLZMGJRHDZLY-ZDUSSCGKSA-N 2 1 256.777 2.308 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000338297668 366281151 /nfs/dbraw/zinc/28/11/51/366281151.db2.gz AXLDUUAAMCYZCA-LSDHHAIUSA-N 2 1 256.434 2.201 20 0 CEADMP CC[C@H]1CCCC[C@H]1[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338344937 366307152 /nfs/dbraw/zinc/30/71/52/366307152.db2.gz LSMMVKYKOQVIRP-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338344937 366307158 /nfs/dbraw/zinc/30/71/58/366307158.db2.gz LSMMVKYKOQVIRP-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCOCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109944 363521794 /nfs/dbraw/zinc/52/17/94/363521794.db2.gz XCKXLSSXNLJAJU-QGZVFWFLSA-N 2 1 276.424 2.477 20 0 CEADMP CCOCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109944 363521798 /nfs/dbraw/zinc/52/17/98/363521798.db2.gz XCKXLSSXNLJAJU-QGZVFWFLSA-N 2 1 276.424 2.477 20 0 CEADMP CCOCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109944 363521801 /nfs/dbraw/zinc/52/18/01/363521801.db2.gz XCKXLSSXNLJAJU-QGZVFWFLSA-N 2 1 276.424 2.477 20 0 CEADMP Cc1ccsc1[C@@H](CO)[NH2+]CCCc1c[nH+]cn1C ZINC000575811848 366363868 /nfs/dbraw/zinc/36/38/68/366363868.db2.gz FBIAJQDTAPXLJY-CYBMUJFWSA-N 2 1 279.409 2.046 20 0 CEADMP C([NH2+][C@@H]1CC[C@H]1C1CC1)C1([NH+]2CCCC2)CCOCC1 ZINC000348110487 538852309 /nfs/dbraw/zinc/85/23/09/538852309.db2.gz MUAHNWJREHKVTC-JKSUJKDBSA-N 2 1 278.440 2.410 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CCC(C(F)(F)F)CC1 ZINC000433128218 538896057 /nfs/dbraw/zinc/89/60/57/538896057.db2.gz WGVGDRUVYPHOCN-YWPUVAFDSA-N 2 1 296.377 2.256 20 0 CEADMP C[C@@H](C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C(C)(C)C ZINC000670267193 540261385 /nfs/dbraw/zinc/26/13/85/540261385.db2.gz VEVCUHIDWRAGPL-LSDHHAIUSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C(C)(C)C ZINC000670267193 540261389 /nfs/dbraw/zinc/26/13/89/540261389.db2.gz VEVCUHIDWRAGPL-LSDHHAIUSA-N 2 1 297.487 2.201 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000306729538 540298291 /nfs/dbraw/zinc/29/82/91/540298291.db2.gz DDCWJVVVXSNBGZ-GVDBMIGSSA-N 2 1 274.408 2.405 20 0 CEADMP C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000166380219 540305465 /nfs/dbraw/zinc/30/54/65/540305465.db2.gz CUDAAYLGWXUKBR-IXDOHACOSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000093451421 283320949 /nfs/dbraw/zinc/32/09/49/283320949.db2.gz MIVZAMOMSVHZIZ-IXDOHACOSA-N 3 1 279.472 2.371 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H](CC(C)C)CN(C)C)CC1 ZINC000037166744 283320956 /nfs/dbraw/zinc/32/09/56/283320956.db2.gz NUNWGQSSTSSRDX-INIZCTEOSA-N 2 1 269.477 2.427 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H](C)O1 ZINC000414519382 236396883 /nfs/dbraw/zinc/39/68/83/236396883.db2.gz UGFAUWPHEUQZEU-WOPDTQHZSA-N 2 1 283.441 2.108 20 0 CEADMP C[C@H]1C[C@H](N[C@@H](Cc2ccccc2)C[NH+](C)C)CC[N@H+]1C ZINC000128835134 291147704 /nfs/dbraw/zinc/14/77/04/291147704.db2.gz JIDQMWCCGXOLMF-JQHSSLGASA-N 2 1 289.467 2.232 20 0 CEADMP CCn1nccc1CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338545594 366404128 /nfs/dbraw/zinc/40/41/28/366404128.db2.gz BCRFNUVHCCUJRI-UHFFFAOYSA-N 2 1 278.444 2.250 20 0 CEADMP CO[C@H](Cc1ccccc1)C[N@@H+](C)CCCn1ccnc1 ZINC000294857480 199216698 /nfs/dbraw/zinc/21/66/98/199216698.db2.gz BVCBIULCAVUMPS-QGZVFWFLSA-N 2 1 287.407 2.463 20 0 CEADMP CCCCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000136087242 366494187 /nfs/dbraw/zinc/49/41/87/366494187.db2.gz HTIWSTWDGNGPOY-HUUCEWRRSA-N 2 1 292.427 2.072 20 0 CEADMP CCCCCNC(=O)CN1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000136087242 366494196 /nfs/dbraw/zinc/49/41/96/366494196.db2.gz HTIWSTWDGNGPOY-HUUCEWRRSA-N 2 1 292.427 2.072 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1 ZINC000578284902 366470469 /nfs/dbraw/zinc/47/04/69/366470469.db2.gz KEPBSBONZJINEO-IRXDYDNUSA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000578284902 366470473 /nfs/dbraw/zinc/47/04/73/366470473.db2.gz KEPBSBONZJINEO-IRXDYDNUSA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000578284902 366470477 /nfs/dbraw/zinc/47/04/77/366470477.db2.gz KEPBSBONZJINEO-IRXDYDNUSA-N 2 1 276.424 2.006 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(=O)[nH]n1 ZINC000285474505 299289131 /nfs/dbraw/zinc/28/91/31/299289131.db2.gz BCIIIRRLGRDPAF-KBPBESRZSA-N 2 1 292.427 2.075 20 0 CEADMP CCC(CC)C[N@@H+](CC)C[C@@H](O)C[NH+](C)C(C)C ZINC000310942807 540450229 /nfs/dbraw/zinc/45/02/29/540450229.db2.gz XCJUKIFAINGOIU-HNNXBMFYSA-N 2 1 258.450 2.446 20 0 CEADMP CCC(CC)C[NH+](CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000310942807 540450232 /nfs/dbraw/zinc/45/02/32/540450232.db2.gz XCJUKIFAINGOIU-HNNXBMFYSA-N 2 1 258.450 2.446 20 0 CEADMP CCC(CC)C[NH+](CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000310942807 540450235 /nfs/dbraw/zinc/45/02/35/540450235.db2.gz XCJUKIFAINGOIU-HNNXBMFYSA-N 2 1 258.450 2.446 20 0 CEADMP CC[NH+](CC)[C@H](CNC(=O)Cn1cc[nH+]c1C)CC(C)C ZINC000296934060 200039619 /nfs/dbraw/zinc/03/96/19/200039619.db2.gz ADUSEVFHDXYIET-HNNXBMFYSA-N 2 1 294.443 2.064 20 0 CEADMP CCCn1nccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000668168845 540577482 /nfs/dbraw/zinc/57/74/82/540577482.db2.gz CAGGMABRIHZVMA-INIZCTEOSA-N 2 1 290.455 2.457 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccnn2CC2CC2)C1 ZINC000668172445 540578549 /nfs/dbraw/zinc/57/85/49/540578549.db2.gz OEVLMVHNKSAFCO-NVXWUHKLSA-N 2 1 288.439 2.209 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CCOCC1 ZINC000453111450 283475954 /nfs/dbraw/zinc/47/59/54/283475954.db2.gz RYBTXGKFRIBPQP-KGLIPLIRSA-N 2 1 295.427 2.001 20 0 CEADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCN1CCCCC1 ZINC000093516097 296001796 /nfs/dbraw/zinc/00/17/96/296001796.db2.gz DRQGUTWDIMOJJF-JKSUJKDBSA-N 2 1 267.461 2.373 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2COC(C)(C)C2)C[C@H](C)O1 ZINC000578730023 366538400 /nfs/dbraw/zinc/53/84/00/366538400.db2.gz IWIGONDVQGKSIZ-QLFBSQMISA-N 2 1 284.444 2.033 20 0 CEADMP Cc1ccn2cc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000578857807 366557005 /nfs/dbraw/zinc/55/70/05/366557005.db2.gz ZWKHVHDSUVFXFN-UONOGXRCSA-N 2 1 272.396 2.120 20 0 CEADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000578995975 366577618 /nfs/dbraw/zinc/57/76/18/366577618.db2.gz FFKVVKHSPGKFQX-ABHNRTSZSA-N 2 1 288.435 2.197 20 0 CEADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)nc1 ZINC000150859346 366601207 /nfs/dbraw/zinc/60/12/07/366601207.db2.gz RAGZVTJRDBXKCW-HNNXBMFYSA-N 2 1 259.397 2.042 20 0 CEADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)nc1 ZINC000150859346 366601215 /nfs/dbraw/zinc/60/12/15/366601215.db2.gz RAGZVTJRDBXKCW-HNNXBMFYSA-N 2 1 259.397 2.042 20 0 CEADMP CCc1oc2ccccc2c1C[N@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000579364043 366635099 /nfs/dbraw/zinc/63/50/99/366635099.db2.gz QOOPFIDSTCPEQK-KRWDZBQOSA-N 2 1 290.407 2.397 20 0 CEADMP CCc1oc2ccccc2c1C[N@@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000579364043 366635103 /nfs/dbraw/zinc/63/51/03/366635103.db2.gz QOOPFIDSTCPEQK-KRWDZBQOSA-N 2 1 290.407 2.397 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1ccccc1SC ZINC000579369930 366637162 /nfs/dbraw/zinc/63/71/62/366637162.db2.gz RUNBFYQIPBNANM-STQMWFEESA-N 2 1 282.453 2.372 20 0 CEADMP C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339066507 366639025 /nfs/dbraw/zinc/63/90/25/366639025.db2.gz FKVBXSGMGKSGCR-FVQBIDKESA-N 2 1 259.397 2.229 20 0 CEADMP Cn1cc([C@@H](NC[C@H]2CCC[N@@H+](C)C2)c2ccccc2)cn1 ZINC000579550636 366659815 /nfs/dbraw/zinc/65/98/15/366659815.db2.gz DFEVEILMYBEVDM-QAPCUYQASA-N 2 1 298.434 2.441 20 0 CEADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000298230024 200366040 /nfs/dbraw/zinc/36/60/40/200366040.db2.gz YLWNGCONAXMXTC-ZBFHGGJFSA-N 2 1 292.423 2.193 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000298191134 200356707 /nfs/dbraw/zinc/35/67/07/200356707.db2.gz ADRHTCRIXHSJAI-RDJZCZTQSA-N 2 1 292.423 2.193 20 0 CEADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@H]3CCCOC3)C2)c1 ZINC000674301108 540742219 /nfs/dbraw/zinc/74/22/19/540742219.db2.gz NESXUUWVYIOHNR-CABCVRRESA-N 2 1 275.396 2.303 20 0 CEADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@H]3CCCOC3)C2)c1 ZINC000674301108 540742221 /nfs/dbraw/zinc/74/22/21/540742221.db2.gz NESXUUWVYIOHNR-CABCVRRESA-N 2 1 275.396 2.303 20 0 CEADMP COc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)c(C)c1OC ZINC000342030611 216193511 /nfs/dbraw/zinc/19/35/11/216193511.db2.gz BUSQMCKFOYGDFX-GFCCVEGCSA-N 2 1 280.412 2.442 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000178742535 189141992 /nfs/dbraw/zinc/14/19/92/189141992.db2.gz RRKPCRCYZBXALS-CPUCHLNUSA-N 2 1 299.422 2.086 20 0 CEADMP Cc1cc[nH+]c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000675285492 540822450 /nfs/dbraw/zinc/82/24/50/540822450.db2.gz VQUXSKSMNVEGTJ-HNNXBMFYSA-N 2 1 275.396 2.445 20 0 CEADMP COC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880243 540878665 /nfs/dbraw/zinc/87/86/65/540878665.db2.gz COZZCPVFRREBPQ-GDBMZVCRSA-N 2 1 298.471 2.423 20 0 CEADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000675883220 540878835 /nfs/dbraw/zinc/87/88/35/540878835.db2.gz YJWJGUAUAHEETK-MRXNPFEDSA-N 2 1 278.440 2.408 20 0 CEADMP Cc1noc(C)c1CC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000677378061 541008926 /nfs/dbraw/zinc/00/89/26/541008926.db2.gz XXYCFZBOZIJWKN-CQSZACIVSA-N 2 1 274.368 2.368 20 0 CEADMP Cc1cnc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000677475026 541017787 /nfs/dbraw/zinc/01/77/87/541017787.db2.gz KREHFWAGIXUSTL-CQSZACIVSA-N 2 1 263.385 2.147 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181405781 189296098 /nfs/dbraw/zinc/29/60/98/189296098.db2.gz UEMOKCNYSTUGCZ-VNQPRFMTSA-N 2 1 262.397 2.101 20 0 CEADMP COCC[NH2+]C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000579965413 366731969 /nfs/dbraw/zinc/73/19/69/366731969.db2.gz BUGPIUYEGSKGHX-UHFFFAOYSA-N 2 1 299.418 2.435 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000638675216 370678313 /nfs/dbraw/zinc/67/83/13/370678313.db2.gz QDPFMFHACZFUKA-WCQYABFASA-N 2 1 253.415 2.455 20 0 CEADMP CC1CC[NH+](C[C@@H](O)CNc2cc[nH+]cc2Cl)CC1 ZINC000301510739 201039493 /nfs/dbraw/zinc/03/94/93/201039493.db2.gz BJXFTVDIMJZOPJ-LBPRGKRZSA-N 2 1 283.803 2.240 20 0 CEADMP CC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182264585 189318201 /nfs/dbraw/zinc/31/82/01/189318201.db2.gz FMNDBIIGTHSYEW-BBRMVZONSA-N 2 1 262.397 2.141 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)[C@H]2CCC[C@@H]21 ZINC000580075463 366746091 /nfs/dbraw/zinc/74/60/91/366746091.db2.gz OSNJBORKDFKRGO-IKGGRYGDSA-N 3 1 273.424 2.108 20 0 CEADMP CN1CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)[C@H]2CCC[C@@H]21 ZINC000580075463 366746100 /nfs/dbraw/zinc/74/61/00/366746100.db2.gz OSNJBORKDFKRGO-IKGGRYGDSA-N 2 1 273.424 2.108 20 0 CEADMP C[N@@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2)[C@H]2CCC[C@@H]21 ZINC000580075463 366746108 /nfs/dbraw/zinc/74/61/08/366746108.db2.gz OSNJBORKDFKRGO-IKGGRYGDSA-N 2 1 273.424 2.108 20 0 CEADMP C[N@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2)[C@H]2CCC[C@@H]21 ZINC000580075463 366746110 /nfs/dbraw/zinc/74/61/10/366746110.db2.gz OSNJBORKDFKRGO-IKGGRYGDSA-N 2 1 273.424 2.108 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000154287477 366766174 /nfs/dbraw/zinc/76/61/74/366766174.db2.gz KIDFNOPLSIKMTC-HZPDHXFCSA-N 2 1 297.487 2.199 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(N[C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000340109537 366774961 /nfs/dbraw/zinc/77/49/61/366774961.db2.gz SEKGRYQLOAWBNY-CJNGLKHVSA-N 2 1 261.413 2.419 20 0 CEADMP C[NH2+]Cc1noc(-c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000581654701 366807361 /nfs/dbraw/zinc/80/73/61/366807361.db2.gz YTUISKRFADWQKK-UHFFFAOYSA-N 2 1 286.379 2.442 20 0 CEADMP CSC[C@@H]1CCC[N@@H+](CCCc2cncn2C)C1 ZINC000581734562 366818682 /nfs/dbraw/zinc/81/86/82/366818682.db2.gz PHPSFUNCYHSTGJ-CYBMUJFWSA-N 2 1 267.442 2.428 20 0 CEADMP CSC[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000581734562 366818688 /nfs/dbraw/zinc/81/86/88/366818688.db2.gz PHPSFUNCYHSTGJ-CYBMUJFWSA-N 2 1 267.442 2.428 20 0 CEADMP CSC[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000581734562 366818690 /nfs/dbraw/zinc/81/86/90/366818690.db2.gz PHPSFUNCYHSTGJ-CYBMUJFWSA-N 2 1 267.442 2.428 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2ccccc2-n2cncn2)CC1 ZINC000678131972 541086144 /nfs/dbraw/zinc/08/61/44/541086144.db2.gz UOVYYWGSRCCSMO-UHFFFAOYSA-N 2 1 299.422 2.183 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2-n2cncn2)CC1 ZINC000678131972 541086146 /nfs/dbraw/zinc/08/61/46/541086146.db2.gz UOVYYWGSRCCSMO-UHFFFAOYSA-N 2 1 299.422 2.183 20 0 CEADMP Oc1cc(F)cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000184139624 189377358 /nfs/dbraw/zinc/37/73/58/189377358.db2.gz LZCPYGYOULQSKW-NSHDSACASA-N 2 1 264.344 2.105 20 0 CEADMP Oc1cc(F)cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000184139624 189377359 /nfs/dbraw/zinc/37/73/59/189377359.db2.gz LZCPYGYOULQSKW-NSHDSACASA-N 2 1 264.344 2.105 20 0 CEADMP CC[N@H+](CC(=O)NC(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000678121607 541084690 /nfs/dbraw/zinc/08/46/90/541084690.db2.gz WLUJJXDDLJKNEB-UHFFFAOYSA-N 2 1 291.439 2.095 20 0 CEADMP CC[N@@H+](CC(=O)NC(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000678121607 541084693 /nfs/dbraw/zinc/08/46/93/541084693.db2.gz WLUJJXDDLJKNEB-UHFFFAOYSA-N 2 1 291.439 2.095 20 0 CEADMP Cc1cncc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000184346599 189383395 /nfs/dbraw/zinc/38/33/95/189383395.db2.gz KNPODVWJGSIUJD-INIZCTEOSA-N 2 1 290.455 2.068 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000020090532 361579233 /nfs/dbraw/zinc/57/92/33/361579233.db2.gz SZMPBAGNFZYSHE-UHFFFAOYSA-N 2 1 296.411 2.231 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000180016420 542260255 /nfs/dbraw/zinc/26/02/55/542260255.db2.gz HYPRBTNKVOWQKX-LBPRGKRZSA-N 2 1 250.390 2.245 20 0 CEADMP CCc1cc(NCC[N@@H+](CC)C(C)C)nc(C)[nH+]1 ZINC000302032526 201308377 /nfs/dbraw/zinc/30/83/77/201308377.db2.gz CQASHNVSQQMRNA-UHFFFAOYSA-N 2 1 250.390 2.490 20 0 CEADMP CCc1cc(NCC[N@H+](CC)C(C)C)nc(C)[nH+]1 ZINC000302032526 201308379 /nfs/dbraw/zinc/30/83/79/201308379.db2.gz CQASHNVSQQMRNA-UHFFFAOYSA-N 2 1 250.390 2.490 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNc2cc[nH+]cc2C(N)=O)c1 ZINC000302046061 201319253 /nfs/dbraw/zinc/31/92/53/201319253.db2.gz UOTSZZWFZABITD-UHFFFAOYSA-N 2 1 298.390 2.244 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cn[nH]c2C)CC1 ZINC000679339795 541259491 /nfs/dbraw/zinc/25/94/91/541259491.db2.gz OVHKFOHLLVZBEP-NSHDSACASA-N 2 1 250.390 2.101 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCCCO)C1 ZINC000679356640 541263352 /nfs/dbraw/zinc/26/33/52/541263352.db2.gz FDCGLGOSVUIUDS-CVEARBPZSA-N 2 1 270.461 2.495 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(O)CCCCCC1 ZINC000087088777 363840661 /nfs/dbraw/zinc/84/06/61/363840661.db2.gz MOKRZYPODRQHJL-QLFBSQMISA-N 2 1 268.445 2.390 20 0 CEADMP COc1ccccc1OCC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000088413738 363894878 /nfs/dbraw/zinc/89/48/78/363894878.db2.gz YXILAPZDJKIYLN-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C)C2=O)cc1 ZINC000090074705 364038483 /nfs/dbraw/zinc/03/84/83/364038483.db2.gz LHADSGQZZFAUDA-MLGOLLRUSA-N 2 1 298.390 2.062 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)[C@H](C)C1 ZINC000090540501 364061894 /nfs/dbraw/zinc/06/18/94/364061894.db2.gz BMTLEBXZJPLIHJ-LVQVYYBASA-N 2 1 298.496 2.361 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000093088896 364139996 /nfs/dbraw/zinc/13/99/96/364139996.db2.gz AIFGUROXVIELPG-UHFFFAOYSA-N 2 1 289.423 2.419 20 0 CEADMP C[NH+](C)C[C@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000334673327 364163169 /nfs/dbraw/zinc/16/31/69/364163169.db2.gz DPXVYARFTMLVIH-SNVBAGLBSA-N 2 1 284.201 2.232 20 0 CEADMP C[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000237466213 370724319 /nfs/dbraw/zinc/72/43/19/370724319.db2.gz HILSVUPGQUAHPV-ZIAGYGMSSA-N 2 1 289.423 2.024 20 0 CEADMP Cc1ccsc1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000093394924 364174715 /nfs/dbraw/zinc/17/47/15/364174715.db2.gz LFIBCACFKRMPHS-UHFFFAOYSA-N 2 1 282.453 2.335 20 0 CEADMP Cc1ccsc1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000093394924 364174722 /nfs/dbraw/zinc/17/47/22/364174722.db2.gz LFIBCACFKRMPHS-UHFFFAOYSA-N 2 1 282.453 2.335 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCN1CCCCC1 ZINC000093516098 364194604 /nfs/dbraw/zinc/19/46/04/364194604.db2.gz DRQGUTWDIMOJJF-HZPDHXFCSA-N 2 1 267.461 2.373 20 0 CEADMP C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)CC(C)(C)C[NH3+] ZINC000093874140 364239023 /nfs/dbraw/zinc/23/90/23/364239023.db2.gz PZEOFZOFLPOBRA-UHFFFAOYSA-N 2 1 284.787 2.485 20 0 CEADMP C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)CC(C)(C)C[NH3+] ZINC000093874140 364239027 /nfs/dbraw/zinc/23/90/27/364239027.db2.gz PZEOFZOFLPOBRA-UHFFFAOYSA-N 2 1 284.787 2.485 20 0 CEADMP c1ccc(C[NH+]2CCC([NH2+]CC3CC[NH2+]CC3)CC2)cc1 ZINC000094009510 364246009 /nfs/dbraw/zinc/24/60/09/364246009.db2.gz AKLHLRGYQNMRKZ-UHFFFAOYSA-N 3 1 287.451 2.240 20 0 CEADMP [NH3+]CCCOC1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000094070013 364249820 /nfs/dbraw/zinc/24/98/20/364249820.db2.gz BQOAKAFALACFDA-UHFFFAOYSA-N 2 1 284.350 2.295 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CC[C@@H]1[NH3+] ZINC000094338888 364265731 /nfs/dbraw/zinc/26/57/31/364265731.db2.gz CZFQATUTYZXDHS-WFASDCNBSA-N 2 1 255.365 2.404 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334995028 364324577 /nfs/dbraw/zinc/32/45/77/364324577.db2.gz XWDXKCKDACITNW-CQSZACIVSA-N 2 1 265.426 2.070 20 0 CEADMP Clc1c[nH+]ccc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000334996471 364328184 /nfs/dbraw/zinc/32/81/84/364328184.db2.gz AGGMZYLHKSJVGY-PHIMTYICSA-N 2 1 251.761 2.171 20 0 CEADMP c1ncc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000334868868 364280316 /nfs/dbraw/zinc/28/03/16/364280316.db2.gz MWIUXPKAJCREOD-AAEUAGOBSA-N 2 1 251.399 2.107 20 0 CEADMP c1ncc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000334868868 364280320 /nfs/dbraw/zinc/28/03/20/364280320.db2.gz MWIUXPKAJCREOD-AAEUAGOBSA-N 2 1 251.399 2.107 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000335052507 364405748 /nfs/dbraw/zinc/40/57/48/364405748.db2.gz LQYCUCWRUZPYEV-XJKSGUPXSA-N 2 1 273.424 2.475 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000335030902 364377960 /nfs/dbraw/zinc/37/79/60/364377960.db2.gz UKIYJBHNVCGURO-ZDUSSCGKSA-N 2 1 287.407 2.017 20 0 CEADMP CC1(C)C[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc21 ZINC000335032460 364378931 /nfs/dbraw/zinc/37/89/31/364378931.db2.gz YVDNNRMWXSURCR-BBRMVZONSA-N 2 1 274.408 2.377 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CCN1Cc1cnc(-c2ccccc2)[nH]1 ZINC000581951484 366839727 /nfs/dbraw/zinc/83/97/27/366839727.db2.gz CRBYXKWMTZGMIW-GXTWGEPZSA-N 2 1 270.380 2.388 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000335061854 364417813 /nfs/dbraw/zinc/41/78/13/364417813.db2.gz YJSLTWXDIFWUAC-ZFWWWQNUSA-N 3 1 267.461 2.227 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000104424521 364696985 /nfs/dbraw/zinc/69/69/85/364696985.db2.gz DVMYZNHPOVRSOJ-DGCLKSJQSA-N 2 1 266.360 2.394 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000104424521 364696993 /nfs/dbraw/zinc/69/69/93/364696993.db2.gz DVMYZNHPOVRSOJ-DGCLKSJQSA-N 2 1 266.360 2.394 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000111635872 364748981 /nfs/dbraw/zinc/74/89/81/364748981.db2.gz ODXVZQJXDCLHIW-QKPAOTATSA-N 2 1 295.471 2.238 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000111635872 364748985 /nfs/dbraw/zinc/74/89/85/364748985.db2.gz ODXVZQJXDCLHIW-QKPAOTATSA-N 2 1 295.471 2.238 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000111635872 364748992 /nfs/dbraw/zinc/74/89/92/364748992.db2.gz ODXVZQJXDCLHIW-QKPAOTATSA-N 2 1 295.471 2.238 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000335634192 212348086 /nfs/dbraw/zinc/34/80/86/212348086.db2.gz NBIATBGXQXWFJE-HUUCEWRRSA-N 2 1 259.397 2.212 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000335467790 364774130 /nfs/dbraw/zinc/77/41/30/364774130.db2.gz DPGZEMMHYPQNOB-KOLCDFICSA-N 2 1 283.213 2.243 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000113196058 364874568 /nfs/dbraw/zinc/87/45/68/364874568.db2.gz LWUVMQUBNCUWHR-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000113196058 364874572 /nfs/dbraw/zinc/87/45/72/364874572.db2.gz LWUVMQUBNCUWHR-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000113196058 364874581 /nfs/dbraw/zinc/87/45/81/364874581.db2.gz LWUVMQUBNCUWHR-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1cnn(CCCCC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000113516097 364904324 /nfs/dbraw/zinc/90/43/24/364904324.db2.gz XVUOJQYZOMKPKW-INIZCTEOSA-N 2 1 278.444 2.245 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113513012 364901308 /nfs/dbraw/zinc/90/13/08/364901308.db2.gz NTOWSTYJCTXAFJ-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113513012 364901313 /nfs/dbraw/zinc/90/13/13/364901313.db2.gz NTOWSTYJCTXAFJ-HNNXBMFYSA-N 2 1 262.397 2.469 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113515480 364903420 /nfs/dbraw/zinc/90/34/20/364903420.db2.gz HKWLLHZWOIJITO-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH3+])CC2)cc1 ZINC000335760062 364941855 /nfs/dbraw/zinc/94/18/55/364941855.db2.gz MRNSDQCFYNXSRZ-UHFFFAOYSA-N 2 1 270.380 2.308 20 0 CEADMP Cc1nn(C)c(Cl)c1C[NH+]1CCC(n2ccnc2)CC1 ZINC000114721854 364959566 /nfs/dbraw/zinc/95/95/66/364959566.db2.gz HCQCADLNZZJRDF-UHFFFAOYSA-N 2 1 293.802 2.416 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000273061232 541439214 /nfs/dbraw/zinc/43/92/14/541439214.db2.gz HUFFQAONXLKJDT-KRWDZBQOSA-N 2 1 295.390 2.304 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843055 365182575 /nfs/dbraw/zinc/18/25/75/365182575.db2.gz AJZZRVATPMLTMJ-OAHLLOKOSA-N 2 1 289.423 2.289 20 0 CEADMP C[NH+](CCC(=O)Nc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843055 365182579 /nfs/dbraw/zinc/18/25/79/365182579.db2.gz AJZZRVATPMLTMJ-OAHLLOKOSA-N 2 1 289.423 2.289 20 0 CEADMP C[NH+](CCC(=O)Nc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843055 365182587 /nfs/dbraw/zinc/18/25/87/365182587.db2.gz AJZZRVATPMLTMJ-OAHLLOKOSA-N 2 1 289.423 2.289 20 0 CEADMP C[N@H+](C[C@@H](O)c1ccccc1Cl)C[C@H]1CC[NH+](C)C1 ZINC000275563243 193076365 /nfs/dbraw/zinc/07/63/65/193076365.db2.gz WSYGRKIXCSKZCM-SWLSCSKDSA-N 2 1 282.815 2.257 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccccc1Cl)C[C@H]1CC[NH+](C)C1 ZINC000275563243 193076367 /nfs/dbraw/zinc/07/63/67/193076367.db2.gz WSYGRKIXCSKZCM-SWLSCSKDSA-N 2 1 282.815 2.257 20 0 CEADMP C[NH+](C[C@@H](O)c1ccccc1Cl)C[C@H]1CC[N@H+](C)C1 ZINC000275563243 193076369 /nfs/dbraw/zinc/07/63/69/193076369.db2.gz WSYGRKIXCSKZCM-SWLSCSKDSA-N 2 1 282.815 2.257 20 0 CEADMP C[NH+](C[C@@H](O)c1ccccc1Cl)C[C@H]1CC[N@@H+](C)C1 ZINC000275563243 193076371 /nfs/dbraw/zinc/07/63/71/193076371.db2.gz WSYGRKIXCSKZCM-SWLSCSKDSA-N 2 1 282.815 2.257 20 0 CEADMP CCc1[nH+]ccn1[C@@H]1CCCN(CC[NH+](CC)CC)C1 ZINC000119932366 365346955 /nfs/dbraw/zinc/34/69/55/365346955.db2.gz TZGQIHDVCQMEPE-OAHLLOKOSA-N 2 1 278.444 2.424 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)C2CCCCC2)CC[N@@H+]1C ZINC000120440555 365424886 /nfs/dbraw/zinc/42/48/86/365424886.db2.gz MNHGBOPWQDPSMK-BMFZPTHFSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)C2CCCCC2)CC[N@H+]1C ZINC000120440555 365424893 /nfs/dbraw/zinc/42/48/93/365424893.db2.gz MNHGBOPWQDPSMK-BMFZPTHFSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C(F)(F)F ZINC000336125089 365443826 /nfs/dbraw/zinc/44/38/26/365443826.db2.gz ZYABRHVRDFYJFE-GHMZBOCLSA-N 2 1 250.308 2.212 20 0 CEADMP C[C@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C(F)(F)F ZINC000336125089 365443832 /nfs/dbraw/zinc/44/38/32/365443832.db2.gz ZYABRHVRDFYJFE-GHMZBOCLSA-N 2 1 250.308 2.212 20 0 CEADMP C[C@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)C(F)(F)F ZINC000336125089 365443838 /nfs/dbraw/zinc/44/38/38/365443838.db2.gz ZYABRHVRDFYJFE-GHMZBOCLSA-N 2 1 250.308 2.212 20 0 CEADMP C[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)C(F)(F)F ZINC000336125089 365443842 /nfs/dbraw/zinc/44/38/42/365443842.db2.gz ZYABRHVRDFYJFE-GHMZBOCLSA-N 2 1 250.308 2.212 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)F)[C@H](C)C1 ZINC000340464941 366893411 /nfs/dbraw/zinc/89/34/11/366893411.db2.gz JFMCLQCMJMXSKA-KFWWJZLASA-N 2 1 274.424 2.461 20 0 CEADMP COC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000582733667 366951463 /nfs/dbraw/zinc/95/14/63/366951463.db2.gz KTPKHTKSPOYHBP-MRXNPFEDSA-N 2 1 291.370 2.469 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@@H]1CCCC[NH2+]1 ZINC000582779569 366956206 /nfs/dbraw/zinc/95/62/06/366956206.db2.gz WNBMJKFPCNCFKT-OCCSQVGLSA-N 2 1 276.380 2.078 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000582882777 366970247 /nfs/dbraw/zinc/97/02/47/366970247.db2.gz ZBKVCWNLSBWOHB-AWEZNQCLSA-N 2 1 272.396 2.479 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000582882777 366970253 /nfs/dbraw/zinc/97/02/53/366970253.db2.gz ZBKVCWNLSBWOHB-AWEZNQCLSA-N 2 1 272.396 2.479 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000582838712 366964811 /nfs/dbraw/zinc/96/48/11/366964811.db2.gz WRXUPNHEMWQBRQ-QLFBSQMISA-N 2 1 267.461 2.322 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000582838712 366964816 /nfs/dbraw/zinc/96/48/16/366964816.db2.gz WRXUPNHEMWQBRQ-QLFBSQMISA-N 2 1 267.461 2.322 20 0 CEADMP C[C@]1(C[NH2+]Cc2cccc(F)c2F)CCC[NH2+]C1 ZINC000582832952 366964836 /nfs/dbraw/zinc/96/48/36/366964836.db2.gz ITONNYUNAAPBJR-AWEZNQCLSA-N 2 1 254.324 2.444 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CO)[C@H]2CCC[C@@H]21 ZINC000582956021 366980781 /nfs/dbraw/zinc/98/07/81/366980781.db2.gz MYXSTEHZVYOACA-IKGGRYGDSA-N 2 1 274.408 2.141 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000582993940 366986850 /nfs/dbraw/zinc/98/68/50/366986850.db2.gz BPIJLIGDYJVSPS-KFWWJZLASA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000582993940 366986852 /nfs/dbraw/zinc/98/68/52/366986852.db2.gz BPIJLIGDYJVSPS-KFWWJZLASA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000582993940 366986854 /nfs/dbraw/zinc/98/68/54/366986854.db2.gz BPIJLIGDYJVSPS-KFWWJZLASA-N 2 1 267.461 2.322 20 0 CEADMP COc1ccc(C[C@H](C)C[N@@H+](C)CCC[NH3+])cc1F ZINC000583204448 367014812 /nfs/dbraw/zinc/01/48/12/367014812.db2.gz LQGMAOYFGBFMCM-LBPRGKRZSA-N 2 1 268.376 2.294 20 0 CEADMP CCCc1ncc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)o1 ZINC000583625169 367074474 /nfs/dbraw/zinc/07/44/74/367074474.db2.gz ODRFKVCCLWYPMY-DGCLKSJQSA-N 2 1 251.374 2.105 20 0 CEADMP FC(F)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000584040758 367133408 /nfs/dbraw/zinc/13/34/08/367133408.db2.gz GUWINFOWJMXYDP-ZDUSSCGKSA-N 2 1 270.323 2.092 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000162932378 367204658 /nfs/dbraw/zinc/20/46/58/367204658.db2.gz RZCBWKCFXSCQFG-OAHLLOKOSA-N 2 1 273.384 2.152 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000162932378 367204660 /nfs/dbraw/zinc/20/46/60/367204660.db2.gz RZCBWKCFXSCQFG-OAHLLOKOSA-N 2 1 273.384 2.152 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163899530 367271060 /nfs/dbraw/zinc/27/10/60/367271060.db2.gz FJCAQZLHTKFXKQ-ZIAGYGMSSA-N 2 1 270.417 2.027 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000163240338 367226490 /nfs/dbraw/zinc/22/64/90/367226490.db2.gz JFOZRQXBFSZDFL-VXGBXAGGSA-N 2 1 268.788 2.388 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000163560631 367250094 /nfs/dbraw/zinc/25/00/94/367250094.db2.gz GVOJGQXSTAWZMC-KFWWJZLASA-N 2 1 298.496 2.361 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000163560631 367250103 /nfs/dbraw/zinc/25/01/03/367250103.db2.gz GVOJGQXSTAWZMC-KFWWJZLASA-N 2 1 298.496 2.361 20 0 CEADMP C[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@@H+](C)C1CC1 ZINC000167336377 367338495 /nfs/dbraw/zinc/33/84/95/367338495.db2.gz VVQRFXILVAHMOR-BBRMVZONSA-N 2 1 289.423 2.066 20 0 CEADMP C[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@@H+](C)C1CC1 ZINC000167336583 367338803 /nfs/dbraw/zinc/33/88/03/367338803.db2.gz VVQRFXILVAHMOR-XJKSGUPXSA-N 2 1 289.423 2.066 20 0 CEADMP COc1ccccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000165972763 367316776 /nfs/dbraw/zinc/31/67/76/367316776.db2.gz VHXIQLPBDOHDLA-HZPDHXFCSA-N 2 1 274.408 2.454 20 0 CEADMP CC1([NH+]2CCCC2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000631446181 367323251 /nfs/dbraw/zinc/32/32/51/367323251.db2.gz UIUNOXLPSYSGKO-UHFFFAOYSA-N 2 1 285.395 2.413 20 0 CEADMP CC(C)[NH2+]CCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000168752658 367358204 /nfs/dbraw/zinc/35/82/04/367358204.db2.gz CRGUUZKVXNFXET-HNNXBMFYSA-N 2 1 291.439 2.011 20 0 CEADMP CC1(C)CC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000342663730 367474452 /nfs/dbraw/zinc/47/44/52/367474452.db2.gz BGKBZODLPBMZDY-FUHWJXTLSA-N 2 1 288.435 2.402 20 0 CEADMP CC1(C)CC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000342663730 367474459 /nfs/dbraw/zinc/47/44/59/367474459.db2.gz BGKBZODLPBMZDY-FUHWJXTLSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CCc2cccc3c2OC(F)(F)O3)C1 ZINC000631825839 367564712 /nfs/dbraw/zinc/56/47/12/367564712.db2.gz WOBNOOIWTGJMQH-CQSZACIVSA-N 2 1 298.333 2.221 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000342841401 367565029 /nfs/dbraw/zinc/56/50/29/367565029.db2.gz POPUHFNTBXHADV-KRWDZBQOSA-N 2 1 298.390 2.331 20 0 CEADMP Cc1cc(C)c(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(C)n1 ZINC000631830610 367568987 /nfs/dbraw/zinc/56/89/87/367568987.db2.gz XCYNXWWXPASVIM-CALCHBBNSA-N 2 1 273.424 2.438 20 0 CEADMP Cc1cc(C)c(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(C)n1 ZINC000631830610 367568993 /nfs/dbraw/zinc/56/89/93/367568993.db2.gz XCYNXWWXPASVIM-CALCHBBNSA-N 2 1 273.424 2.438 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000631838583 367578998 /nfs/dbraw/zinc/57/89/98/367578998.db2.gz QTGAPVJSWHOFAL-CMPLNLGQSA-N 2 1 268.788 2.375 20 0 CEADMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000631838583 367579003 /nfs/dbraw/zinc/57/90/03/367579003.db2.gz QTGAPVJSWHOFAL-CMPLNLGQSA-N 2 1 268.788 2.375 20 0 CEADMP COc1cc(Cl)ccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838866 367579165 /nfs/dbraw/zinc/57/91/65/367579165.db2.gz WEIWMDQUADFSTG-ZYHUDNBSSA-N 2 1 268.788 2.375 20 0 CEADMP COc1cc(Cl)ccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838866 367579169 /nfs/dbraw/zinc/57/91/69/367579169.db2.gz WEIWMDQUADFSTG-ZYHUDNBSSA-N 2 1 268.788 2.375 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)C[C@H]1C[NH3+] ZINC000631840705 367580763 /nfs/dbraw/zinc/58/07/63/367580763.db2.gz UPSJCEZXDYSKPT-ZYHUDNBSSA-N 2 1 270.323 2.315 20 0 CEADMP CC(C)n1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cn1 ZINC000335543117 212241876 /nfs/dbraw/zinc/24/18/76/212241876.db2.gz JLEYTEKPOSRUMK-CQSZACIVSA-N 2 1 276.428 2.428 20 0 CEADMP CCn1nc(C)c(C[N@@H+](C)CCC2CC[NH2+]CC2)c1C ZINC000631835723 367575488 /nfs/dbraw/zinc/57/54/88/367575488.db2.gz FBCURYQBLXEXQY-UHFFFAOYSA-N 2 1 278.444 2.341 20 0 CEADMP CO[C@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C1CCCCC1 ZINC000631837668 367576836 /nfs/dbraw/zinc/57/68/36/367576836.db2.gz VQBXAYDMSTVGOY-BPLDGKMQSA-N 2 1 254.418 2.108 20 0 CEADMP CC(C)Cc1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000631864780 367599564 /nfs/dbraw/zinc/59/95/64/367599564.db2.gz VINDCEZDYFUVFS-UHFFFAOYSA-N 2 1 290.451 2.431 20 0 CEADMP CC(C)c1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000631866050 367599664 /nfs/dbraw/zinc/59/96/64/367599664.db2.gz LAERTXALHLLXCU-UHFFFAOYSA-N 2 1 276.424 2.356 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnn(C(C)C)c1 ZINC000171841521 367625785 /nfs/dbraw/zinc/62/57/85/367625785.db2.gz BVVUIVFKQYUDII-ZDUSSCGKSA-N 2 1 275.400 2.395 20 0 CEADMP c1cc(CCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)ccn1 ZINC000631889203 367610241 /nfs/dbraw/zinc/61/02/41/367610241.db2.gz DFOOKWHIKAHMQL-HZPDHXFCSA-N 2 1 259.397 2.088 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000335532978 212227220 /nfs/dbraw/zinc/22/72/20/212227220.db2.gz LBHFBSOCGYVZBK-JSGCOSHPSA-N 2 1 290.411 2.058 20 0 CEADMP C[C@@](CO)([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000682028395 541620675 /nfs/dbraw/zinc/62/06/75/541620675.db2.gz JRSIFIBVTFKCIB-KRWDZBQOSA-N 2 1 276.424 2.360 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](CCO)c2ccc(OC)cc2)C1 ZINC000343102470 367670117 /nfs/dbraw/zinc/67/01/17/367670117.db2.gz LCFHAEVRHKTHFP-RRQGHBQHSA-N 2 1 292.423 2.049 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](CCO)c2ccc(OC)cc2)C1 ZINC000343102470 367670123 /nfs/dbraw/zinc/67/01/23/367670123.db2.gz LCFHAEVRHKTHFP-RRQGHBQHSA-N 2 1 292.423 2.049 20 0 CEADMP c1cncc(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000172645695 367792908 /nfs/dbraw/zinc/79/29/08/367792908.db2.gz WZDHLERFPZQCPA-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP c1cncc(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000172645700 367793090 /nfs/dbraw/zinc/79/30/90/367793090.db2.gz WZDHLERFPZQCPA-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358020036 370873007 /nfs/dbraw/zinc/87/30/07/370873007.db2.gz LEXNEAOPRRCZOI-MLGOLLRUSA-N 2 1 275.396 2.075 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358020036 370873013 /nfs/dbraw/zinc/87/30/13/370873013.db2.gz LEXNEAOPRRCZOI-MLGOLLRUSA-N 2 1 275.396 2.075 20 0 CEADMP CC(C)CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(C)(C)C ZINC000343517171 367858460 /nfs/dbraw/zinc/85/84/60/367858460.db2.gz WMBPSNKVDSOYNZ-KGLIPLIRSA-N 2 1 258.450 2.349 20 0 CEADMP c1cncc(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000173595176 367926493 /nfs/dbraw/zinc/92/64/93/367926493.db2.gz GJPSDKSERNYIHS-KRWDZBQOSA-N 2 1 273.424 2.432 20 0 CEADMP C[C@H]1C[N@H+](C)C[C@H]1NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000343632791 367929398 /nfs/dbraw/zinc/92/93/98/367929398.db2.gz CUSBDNZZZRLOGZ-QXSJWSMHSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@H]1NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000343632791 367929402 /nfs/dbraw/zinc/92/94/02/367929402.db2.gz CUSBDNZZZRLOGZ-QXSJWSMHSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H]1CN(C)C[C@H]1[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000343632791 367929408 /nfs/dbraw/zinc/92/94/08/367929408.db2.gz CUSBDNZZZRLOGZ-QXSJWSMHSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@@H+]1C[C@H](NCCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000343575403 367893995 /nfs/dbraw/zinc/89/39/95/367893995.db2.gz RIRAUYKDHFTVRC-YVSFHVDLSA-N 2 1 281.488 2.284 20 0 CEADMP CC[NH+]1C[C@H](NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000343575403 367893999 /nfs/dbraw/zinc/89/39/99/367893999.db2.gz RIRAUYKDHFTVRC-YVSFHVDLSA-N 2 1 281.488 2.284 20 0 CEADMP CC[NH+]1C[C@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000343575403 367894008 /nfs/dbraw/zinc/89/40/08/367894008.db2.gz RIRAUYKDHFTVRC-YVSFHVDLSA-N 2 1 281.488 2.284 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000174638374 368050520 /nfs/dbraw/zinc/05/05/20/368050520.db2.gz CBOBUQKEFMQSRV-UHFFFAOYSA-N 2 1 291.439 2.210 20 0 CEADMP CC[N@H+]1C[C@H](NCC[NH+]2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000344227124 368115590 /nfs/dbraw/zinc/11/55/90/368115590.db2.gz VDZBTMPETHRBAX-JONQDZQNSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@@H+]1C[C@H](NCC[NH+]2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000344227124 368115592 /nfs/dbraw/zinc/11/55/92/368115592.db2.gz VDZBTMPETHRBAX-JONQDZQNSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1C[C@H](NCC[N@H+]2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000344227124 368115595 /nfs/dbraw/zinc/11/55/95/368115595.db2.gz VDZBTMPETHRBAX-JONQDZQNSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1C[C@H](NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000344227124 368115597 /nfs/dbraw/zinc/11/55/97/368115597.db2.gz VDZBTMPETHRBAX-JONQDZQNSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](CCO)C1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCC1 ZINC000344295560 368118639 /nfs/dbraw/zinc/11/86/39/368118639.db2.gz UINWOESLCSIUSV-FPCVCCKLSA-N 2 1 282.472 2.494 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccncc2)C1 ZINC000174950235 368082741 /nfs/dbraw/zinc/08/27/41/368082741.db2.gz FVJOPJRLYKDGRA-MRXNPFEDSA-N 2 1 261.413 2.288 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2ccncc2)C1 ZINC000174950235 368082750 /nfs/dbraw/zinc/08/27/50/368082750.db2.gz FVJOPJRLYKDGRA-MRXNPFEDSA-N 2 1 261.413 2.288 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccncc2)C1 ZINC000174950235 368082754 /nfs/dbraw/zinc/08/27/54/368082754.db2.gz FVJOPJRLYKDGRA-MRXNPFEDSA-N 2 1 261.413 2.288 20 0 CEADMP CCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000345177733 368182740 /nfs/dbraw/zinc/18/27/40/368182740.db2.gz SHPOGCGKHMVCMV-UHFFFAOYSA-N 2 1 290.407 2.445 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(CO)c1 ZINC000345189735 368186955 /nfs/dbraw/zinc/18/69/55/368186955.db2.gz SFFONQLMDSMTJE-XEZPLFJOSA-N 2 1 262.397 2.312 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(CO)c1 ZINC000345189735 368186957 /nfs/dbraw/zinc/18/69/57/368186957.db2.gz SFFONQLMDSMTJE-XEZPLFJOSA-N 2 1 262.397 2.312 20 0 CEADMP CCO[C@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C1(C)C ZINC000178974709 368318614 /nfs/dbraw/zinc/31/86/14/368318614.db2.gz MVMDRQQCDNFEET-KBPBESRZSA-N 2 1 254.418 2.121 20 0 CEADMP C[NH+](CCCCC[N@H+](C)C[C@@H]1CCOC1)C[C@@H]1CCOC1 ZINC000178755846 368312458 /nfs/dbraw/zinc/31/24/58/368312458.db2.gz RAZJSJYSNICWOE-IRXDYDNUSA-N 2 1 298.471 2.093 20 0 CEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(-n2ccnn2)cc1 ZINC000182056109 368519061 /nfs/dbraw/zinc/51/90/61/368519061.db2.gz RSPZNPZAZYOEIB-GOEBONIOSA-N 2 1 299.422 2.402 20 0 CEADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000182646622 368574232 /nfs/dbraw/zinc/57/42/32/368574232.db2.gz NYKSSNPMAQPDNE-STQMWFEESA-N 2 1 270.417 2.038 20 0 CEADMP CO[C@@]1(C)C[C@H]([N@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346279454 368619104 /nfs/dbraw/zinc/61/91/04/368619104.db2.gz PVMRLHLXZVZQHJ-ZFWWWQNUSA-N 2 1 265.401 2.327 20 0 CEADMP CO[C@@]1(C)C[C@H]([N@@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346279454 368619106 /nfs/dbraw/zinc/61/91/06/368619106.db2.gz PVMRLHLXZVZQHJ-ZFWWWQNUSA-N 2 1 265.401 2.327 20 0 CEADMP CO[C@]1(C)C[C@@H]([N@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346279453 368619311 /nfs/dbraw/zinc/61/93/11/368619311.db2.gz PVMRLHLXZVZQHJ-UKRRQHHQSA-N 2 1 265.401 2.327 20 0 CEADMP CO[C@]1(C)C[C@@H]([N@@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346279453 368619313 /nfs/dbraw/zinc/61/93/13/368619313.db2.gz PVMRLHLXZVZQHJ-UKRRQHHQSA-N 2 1 265.401 2.327 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000639049374 370926742 /nfs/dbraw/zinc/92/67/42/370926742.db2.gz PIVVKJDVAUDUIP-MRXNPFEDSA-N 2 1 264.413 2.066 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000639049374 370926749 /nfs/dbraw/zinc/92/67/49/370926749.db2.gz PIVVKJDVAUDUIP-MRXNPFEDSA-N 2 1 264.413 2.066 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000246332626 370947752 /nfs/dbraw/zinc/94/77/52/370947752.db2.gz GFPXHVWURSTOSY-CABCVRRESA-N 2 1 278.444 2.439 20 0 CEADMP CC(C)Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358179300 370938061 /nfs/dbraw/zinc/93/80/61/370938061.db2.gz ZLACRLWCTFCRGP-KRWDZBQOSA-N 2 1 276.424 2.041 20 0 CEADMP CC(C)Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358179300 370938066 /nfs/dbraw/zinc/93/80/66/370938066.db2.gz ZLACRLWCTFCRGP-KRWDZBQOSA-N 2 1 276.424 2.041 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000346686701 368770357 /nfs/dbraw/zinc/77/03/57/368770357.db2.gz SDHVQMUQKIOGLT-STQMWFEESA-N 2 1 270.380 2.246 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000346686701 368770360 /nfs/dbraw/zinc/77/03/60/368770360.db2.gz SDHVQMUQKIOGLT-STQMWFEESA-N 2 1 270.380 2.246 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000346687171 368770586 /nfs/dbraw/zinc/77/05/86/368770586.db2.gz LHLQJKCOXIYRBV-UHFFFAOYSA-N 2 1 273.302 2.271 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)c2cnn(C)c2)C1 ZINC000246332626 370947741 /nfs/dbraw/zinc/94/77/41/370947741.db2.gz GFPXHVWURSTOSY-CABCVRRESA-N 2 1 278.444 2.439 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000246332626 370947747 /nfs/dbraw/zinc/94/77/47/370947747.db2.gz GFPXHVWURSTOSY-CABCVRRESA-N 2 1 278.444 2.439 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000346690262 368773211 /nfs/dbraw/zinc/77/32/11/368773211.db2.gz TWGUPENPTNTZAS-ZFWWWQNUSA-N 2 1 298.390 2.438 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000346651129 368753321 /nfs/dbraw/zinc/75/33/21/368753321.db2.gz GYQGESDYCFRVMM-WCQYABFASA-N 2 1 288.370 2.385 20 0 CEADMP CN(C)c1cc[nH+]cc1CNc1[nH]c2ccccc2[nH+]1 ZINC000346653493 368754920 /nfs/dbraw/zinc/75/49/20/368754920.db2.gz IXERWSQAOGAVLY-UHFFFAOYSA-N 2 1 267.336 2.058 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000346660323 368757563 /nfs/dbraw/zinc/75/75/63/368757563.db2.gz ANGSVGWPYXOHBE-OCCSQVGLSA-N 2 1 288.370 2.181 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000346660323 368757567 /nfs/dbraw/zinc/75/75/67/368757567.db2.gz ANGSVGWPYXOHBE-OCCSQVGLSA-N 2 1 288.370 2.181 20 0 CEADMP c1ccc2c(c1)OCC[C@H]2C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733289 368844145 /nfs/dbraw/zinc/84/41/45/368844145.db2.gz BYYYSSOQOLXHDN-VBQJREDUSA-N 2 1 272.392 2.284 20 0 CEADMP COC(=O)CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185681712 368842151 /nfs/dbraw/zinc/84/21/51/368842151.db2.gz XQHXXMMXNDVWEL-ZIAGYGMSSA-N 2 1 282.428 2.182 20 0 CEADMP CCC1(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCOCC1 ZINC000346830930 368790925 /nfs/dbraw/zinc/79/09/25/368790925.db2.gz PSNLVLJAQBUHBV-SOUVJXGZSA-N 2 1 266.429 2.252 20 0 CEADMP C[N@H+](CC(C)(C)[NH3+])[C@@H]1CCCN(c2ccccc2)C1 ZINC000346998921 368795297 /nfs/dbraw/zinc/79/52/97/368795297.db2.gz XNUVDIRLVOUGFD-OAHLLOKOSA-N 2 1 261.413 2.325 20 0 CEADMP C[N@@H+](CC(C)(C)[NH3+])[C@@H]1CCCN(c2ccccc2)C1 ZINC000346998921 368795302 /nfs/dbraw/zinc/79/53/02/368795302.db2.gz XNUVDIRLVOUGFD-OAHLLOKOSA-N 2 1 261.413 2.325 20 0 CEADMP [NH3+]CC[C@@H]1CCCCN1c1cc[nH+]c(N2CCCCC2)n1 ZINC000634809686 368898638 /nfs/dbraw/zinc/89/86/38/368898638.db2.gz YDZHFXFWKPVHLF-AWEZNQCLSA-N 2 1 289.427 2.175 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@H]4C[NH2+]CC[C@H]43)c2c1C ZINC000634812208 368901317 /nfs/dbraw/zinc/90/13/17/368901317.db2.gz CHCPDHGLWPQNQR-QWHCGFSZSA-N 2 1 285.395 2.153 20 0 CEADMP CCN(C)C(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185727786 368849434 /nfs/dbraw/zinc/84/94/34/368849434.db2.gz UNCYOMNJYOFZDJ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc(O)cc(F)c2)C1 ZINC000186252262 368946038 /nfs/dbraw/zinc/94/60/38/368946038.db2.gz DHVKVWZLLSHDQF-GFCCVEGCSA-N 2 1 266.360 2.305 20 0 CEADMP CC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCCO1 ZINC000348281195 368982252 /nfs/dbraw/zinc/98/22/52/368982252.db2.gz KJHJULYYXICKNL-ILXRZTDVSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000348207290 368950312 /nfs/dbraw/zinc/95/03/12/368950312.db2.gz OSTQNCKPJIMDJG-AAVRWANBSA-N 2 1 256.459 2.448 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1(C)C ZINC000348312722 368997066 /nfs/dbraw/zinc/99/70/66/368997066.db2.gz REVZICVUXKJAFV-GJZGRUSLSA-N 2 1 281.488 2.427 20 0 CEADMP Cn1ccnc1[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000635010154 369046671 /nfs/dbraw/zinc/04/66/71/369046671.db2.gz YXOAFJJVMWFKDM-DLBZAZTESA-N 2 1 298.434 2.421 20 0 CEADMP C[C@H]1CCN(CC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000634993495 369022277 /nfs/dbraw/zinc/02/22/77/369022277.db2.gz WGCYFTUIIRBERE-IVMQYODDSA-N 2 1 299.462 2.335 20 0 CEADMP c1ccc(C2([NH2+]CC34CC(C3)C[NH2+]4)CCOCC2)cc1 ZINC000634993187 369022375 /nfs/dbraw/zinc/02/23/75/369022375.db2.gz MYROBWGMGLEGCW-UHFFFAOYSA-N 2 1 272.392 2.034 20 0 CEADMP CC(C)[C@H](CO)[N@H+](Cc1ccccc1)CC12CC(C1)C[NH2+]2 ZINC000634993009 369022391 /nfs/dbraw/zinc/02/23/91/369022391.db2.gz ISYPZOCOJFKVGK-ADKAHSJRSA-N 2 1 288.435 2.258 20 0 CEADMP CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)CC12CC(C1)C[NH2+]2 ZINC000634993009 369022395 /nfs/dbraw/zinc/02/23/95/369022395.db2.gz ISYPZOCOJFKVGK-ADKAHSJRSA-N 2 1 288.435 2.258 20 0 CEADMP CC(C)[C@@H](C[NH3+])C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000634994562 369023689 /nfs/dbraw/zinc/02/36/89/369023689.db2.gz HJAABDPCGBGCPG-HNNXBMFYSA-N 3 1 255.450 2.058 20 0 CEADMP CC(C)[C@@H](C[NH3+])C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000634994562 369023691 /nfs/dbraw/zinc/02/36/91/369023691.db2.gz HJAABDPCGBGCPG-HNNXBMFYSA-N 3 1 255.450 2.058 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H](C)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000635010941 369048150 /nfs/dbraw/zinc/04/81/50/369048150.db2.gz BWEXRPWHCLZYEW-SZMVWBNQSA-N 2 1 287.451 2.299 20 0 CEADMP CCn1c2ccccc2nc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998300 369029371 /nfs/dbraw/zinc/02/93/71/369029371.db2.gz CZMKRBNOUSWWGK-CHWSQXEVSA-N 2 1 272.396 2.083 20 0 CEADMP CCn1c2ccccc2nc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998300 369029374 /nfs/dbraw/zinc/02/93/74/369029374.db2.gz CZMKRBNOUSWWGK-CHWSQXEVSA-N 2 1 272.396 2.083 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H](C)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000635010917 369048414 /nfs/dbraw/zinc/04/84/14/369048414.db2.gz BWEXRPWHCLZYEW-BPQIPLTHSA-N 2 1 287.451 2.299 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[NH3+])C2)cc1 ZINC000635011202 369048479 /nfs/dbraw/zinc/04/84/79/369048479.db2.gz DJARZDNNWIJCGH-GVDBMIGSSA-N 2 1 273.424 2.039 20 0 CEADMP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[NH3+])C2)cc1 ZINC000635011202 369048481 /nfs/dbraw/zinc/04/84/81/369048481.db2.gz DJARZDNNWIJCGH-GVDBMIGSSA-N 2 1 273.424 2.039 20 0 CEADMP COc1ccc(C[NH+]2C[C@H]3C[NH+](C)C[C@@H]3C2)c(C)c1OC ZINC000348413841 369038274 /nfs/dbraw/zinc/03/82/74/369038274.db2.gz WMSUYMRBWFOHGV-HUUCEWRRSA-N 2 1 290.407 2.006 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@@H]2CCC[C@@H]21 ZINC000635010928 369048795 /nfs/dbraw/zinc/04/87/95/369048795.db2.gz OHVMKJNZTMELNI-FHWLQOOXSA-N 3 1 299.462 2.295 20 0 CEADMP CN1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@@H]2CCC[C@@H]21 ZINC000635010928 369048797 /nfs/dbraw/zinc/04/87/97/369048797.db2.gz OHVMKJNZTMELNI-FHWLQOOXSA-N 2 1 299.462 2.295 20 0 CEADMP C[N@@H+]1CC[C@H](NCc2cccc3c2CC[NH2+]C3)[C@@H]2CCC[C@@H]21 ZINC000635010928 369048801 /nfs/dbraw/zinc/04/88/01/369048801.db2.gz OHVMKJNZTMELNI-FHWLQOOXSA-N 2 1 299.462 2.295 20 0 CEADMP C[N@H+]1CC[C@H](NCc2cccc3c2CC[NH2+]C3)[C@@H]2CCC[C@@H]21 ZINC000635010928 369048803 /nfs/dbraw/zinc/04/88/03/369048803.db2.gz OHVMKJNZTMELNI-FHWLQOOXSA-N 2 1 299.462 2.295 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H]3CCC[C@@H]3[NH3+])C2)cc1 ZINC000635011203 369048844 /nfs/dbraw/zinc/04/88/44/369048844.db2.gz DJARZDNNWIJCGH-ULQDDVLXSA-N 2 1 273.424 2.039 20 0 CEADMP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCC[C@@H]3[NH3+])C2)cc1 ZINC000635011203 369048847 /nfs/dbraw/zinc/04/88/47/369048847.db2.gz DJARZDNNWIJCGH-ULQDDVLXSA-N 2 1 273.424 2.039 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635008274 369044315 /nfs/dbraw/zinc/04/43/15/369044315.db2.gz RHNINPJHRYHYLR-QGPMSJSTSA-N 2 1 287.451 2.019 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635008274 369044318 /nfs/dbraw/zinc/04/43/18/369044318.db2.gz RHNINPJHRYHYLR-QGPMSJSTSA-N 2 1 287.451 2.019 20 0 CEADMP c1cnc2cc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)ccc2n1 ZINC000634953034 368986805 /nfs/dbraw/zinc/98/68/05/368986805.db2.gz PFMFSXRGOJCAMX-DOTOQJQBSA-N 2 1 282.391 2.346 20 0 CEADMP c1cnc2cc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)ccc2n1 ZINC000634953034 368986808 /nfs/dbraw/zinc/98/68/08/368986808.db2.gz PFMFSXRGOJCAMX-DOTOQJQBSA-N 2 1 282.391 2.346 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc2nccnc2c1 ZINC000634952362 368987009 /nfs/dbraw/zinc/98/70/09/368987009.db2.gz WLNIJWSSXOCUMQ-UHFFFAOYSA-N 2 1 272.396 2.450 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc2nccnc2c1 ZINC000634952362 368987012 /nfs/dbraw/zinc/98/70/12/368987012.db2.gz WLNIJWSSXOCUMQ-UHFFFAOYSA-N 2 1 272.396 2.450 20 0 CEADMP Cc1[nH+]ccn1CCCN1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000348754575 369142129 /nfs/dbraw/zinc/14/21/29/369142129.db2.gz AVZQEGJIDQFTGZ-SJORKVTESA-N 2 1 284.407 2.008 20 0 CEADMP FC1(F)CCC(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000572778006 299398437 /nfs/dbraw/zinc/39/84/37/299398437.db2.gz XWPTUXIEOGJGRH-UHFFFAOYSA-N 2 1 284.354 2.357 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000348894745 369193609 /nfs/dbraw/zinc/19/36/09/369193609.db2.gz PIVHSADKGKNZBT-HOTGVXAUSA-N 2 1 288.391 2.190 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000348894745 369193612 /nfs/dbraw/zinc/19/36/12/369193612.db2.gz PIVHSADKGKNZBT-HOTGVXAUSA-N 2 1 288.391 2.190 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000349142755 369249872 /nfs/dbraw/zinc/24/98/72/369249872.db2.gz KHCYACFLGBWZJM-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP COCC[NH+]1CCC([NH2+]C2C(C)(C)C2(C)C)CC1 ZINC000349193552 369262396 /nfs/dbraw/zinc/26/23/96/369262396.db2.gz QCULAQKPRXUKOZ-UHFFFAOYSA-N 2 1 254.418 2.121 20 0 CEADMP COc1ncc(C[N@@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000639081699 370954191 /nfs/dbraw/zinc/95/41/91/370954191.db2.gz KGDMLHCFEVGXMP-UHFFFAOYSA-N 2 1 281.425 2.212 20 0 CEADMP COc1ncc(C[N@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000639081699 370954197 /nfs/dbraw/zinc/95/41/97/370954197.db2.gz KGDMLHCFEVGXMP-UHFFFAOYSA-N 2 1 281.425 2.212 20 0 CEADMP CCCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358251433 370972481 /nfs/dbraw/zinc/97/24/81/370972481.db2.gz MFGUWPWISJQDRM-WMLDXEAASA-N 2 1 292.423 2.193 20 0 CEADMP CCCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358251433 370972486 /nfs/dbraw/zinc/97/24/86/370972486.db2.gz MFGUWPWISJQDRM-WMLDXEAASA-N 2 1 292.423 2.193 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC000358255912 370976192 /nfs/dbraw/zinc/97/61/92/370976192.db2.gz QYYDGCLEIMUYPP-CVEARBPZSA-N 2 1 268.445 2.392 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC000358255912 370976197 /nfs/dbraw/zinc/97/61/97/370976197.db2.gz QYYDGCLEIMUYPP-CVEARBPZSA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358229196 370962285 /nfs/dbraw/zinc/96/22/85/370962285.db2.gz GCYSDQGROPJVSM-ARFHVFGLSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358229196 370962290 /nfs/dbraw/zinc/96/22/90/370962290.db2.gz GCYSDQGROPJVSM-ARFHVFGLSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@H](CCC1CCCCC1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358263193 370981315 /nfs/dbraw/zinc/98/13/15/370981315.db2.gz XLYBHVLQMXGVRM-GDBMZVCRSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@H](CCC1CCCCC1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358263193 370981319 /nfs/dbraw/zinc/98/13/19/370981319.db2.gz XLYBHVLQMXGVRM-GDBMZVCRSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+]1C1CCCC1)CC(C)(C)C ZINC000636280890 369583632 /nfs/dbraw/zinc/58/36/32/369583632.db2.gz UDEPVECVECZETL-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)CC(C)(C)C ZINC000636280890 369583637 /nfs/dbraw/zinc/58/36/37/369583637.db2.gz UDEPVECVECZETL-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)CC(C)(C)C ZINC000636280890 369583638 /nfs/dbraw/zinc/58/36/38/369583638.db2.gz UDEPVECVECZETL-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352477648 369748733 /nfs/dbraw/zinc/74/87/33/369748733.db2.gz NRRGPXIQFUBEMO-LBPRGKRZSA-N 2 1 251.374 2.249 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCO[C@@H](C)C1 ZINC000352618407 369808691 /nfs/dbraw/zinc/80/86/91/369808691.db2.gz QAFCGVLUUOUWAG-JONQDZQNSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H]1CCOC[C@H]1C)[NH+]1CCCC1 ZINC000192466308 369816600 /nfs/dbraw/zinc/81/66/00/369816600.db2.gz CJUSXCIBPYCBRL-ILXRZTDVSA-N 2 1 254.418 2.121 20 0 CEADMP COc1ccsc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352545175 369780454 /nfs/dbraw/zinc/78/04/54/369780454.db2.gz GZCQZDWJOGVXAI-NSHDSACASA-N 2 1 254.399 2.460 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)o1 ZINC000352546273 369782359 /nfs/dbraw/zinc/78/23/59/369782359.db2.gz SHOWGTJZWGCIDU-UHFFFAOYSA-N 2 1 294.395 2.407 20 0 CEADMP C[C@H]1C[C@@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CCO1 ZINC000352692350 369838981 /nfs/dbraw/zinc/83/89/81/369838981.db2.gz FOAMCOKTZKFGEL-HOCLYGCPSA-N 2 1 291.439 2.490 20 0 CEADMP CC(C)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352704355 369846523 /nfs/dbraw/zinc/84/65/23/369846523.db2.gz JESJLVBHRQLTAG-UHFFFAOYSA-N 2 1 275.440 2.144 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@@H]2CCCCO2)s1 ZINC000352741370 369863796 /nfs/dbraw/zinc/86/37/96/369863796.db2.gz DVOKBNCGEDJHRF-LBPRGKRZSA-N 2 1 283.441 2.254 20 0 CEADMP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H]1CCCO1 ZINC000352760321 369870665 /nfs/dbraw/zinc/87/06/65/369870665.db2.gz OKIVBWRECBWEAC-CHWSQXEVSA-N 2 1 283.441 2.252 20 0 CEADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CC[C@@H](C)[NH3+] ZINC000193295785 369920159 /nfs/dbraw/zinc/92/01/59/369920159.db2.gz DHALVNIMMQGFSC-CQSZACIVSA-N 2 1 291.439 2.270 20 0 CEADMP CC[C@@H](C)C[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000353032593 369992658 /nfs/dbraw/zinc/99/26/58/369992658.db2.gz XMWPUCASRAAVFW-OAHLLOKOSA-N 2 1 286.460 2.092 20 0 CEADMP CN(Cc1ccnn1CC1CCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637930651 370178201 /nfs/dbraw/zinc/17/82/01/370178201.db2.gz QVLZSVIAKSOLOF-MRXNPFEDSA-N 2 1 290.455 2.457 20 0 CEADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000353698968 370122119 /nfs/dbraw/zinc/12/21/19/370122119.db2.gz AADOIDYMERYNNW-YVSFHVDLSA-N 2 1 256.393 2.474 20 0 CEADMP c1ccc([C@@H]2C[C@@H]2C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000353698968 370122121 /nfs/dbraw/zinc/12/21/21/370122121.db2.gz AADOIDYMERYNNW-YVSFHVDLSA-N 2 1 256.393 2.474 20 0 CEADMP Cc1ccc(CCC[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000353919681 370136097 /nfs/dbraw/zinc/13/60/97/370136097.db2.gz YWAJZBSOAGQMEZ-INIZCTEOSA-N 2 1 273.424 2.397 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000353929726 370141396 /nfs/dbraw/zinc/14/13/96/370141396.db2.gz FJINGOACVOMVMM-HEHGZKQESA-N 2 1 294.439 2.181 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC000354158572 370238575 /nfs/dbraw/zinc/23/85/75/370238575.db2.gz BOLMKCHDRJTTFY-HPUBIQBYSA-N 2 1 296.455 2.430 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CCSCC1 ZINC000354178916 370246555 /nfs/dbraw/zinc/24/65/55/370246555.db2.gz BDLHPBRVXLHBII-RISCZKNCSA-N 2 1 256.459 2.448 20 0 CEADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nccs2)CC1 ZINC000354033246 370188876 /nfs/dbraw/zinc/18/88/76/370188876.db2.gz JTKXBNPFLWSHLS-UHFFFAOYSA-N 2 1 297.468 2.466 20 0 CEADMP CN(C)[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000222898786 370258735 /nfs/dbraw/zinc/25/87/35/370258735.db2.gz FSEMMRHAEZBUNQ-OWCLPIDISA-N 2 1 261.413 2.149 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000354219917 370265386 /nfs/dbraw/zinc/26/53/86/370265386.db2.gz WXKRYCNNQGMPTI-UHFFFAOYSA-N 2 1 284.444 2.430 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000354219917 370265390 /nfs/dbraw/zinc/26/53/90/370265390.db2.gz WXKRYCNNQGMPTI-UHFFFAOYSA-N 2 1 284.444 2.430 20 0 CEADMP COc1cccc(C)c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000638077204 370284191 /nfs/dbraw/zinc/28/41/91/370284191.db2.gz QPPBLRKLHCEGCA-CQSZACIVSA-N 2 1 262.397 2.387 20 0 CEADMP COc1cccc(C)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000638077204 370284196 /nfs/dbraw/zinc/28/41/96/370284196.db2.gz QPPBLRKLHCEGCA-CQSZACIVSA-N 2 1 262.397 2.387 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C)ns2)C1 ZINC000638134693 370329429 /nfs/dbraw/zinc/32/94/29/370329429.db2.gz QDEOHDBQKRPNAF-AWEZNQCLSA-N 2 1 297.468 2.384 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000226588267 370347131 /nfs/dbraw/zinc/34/71/31/370347131.db2.gz WQWLFYAALUCQIE-RBSFLKMASA-N 2 1 254.418 2.121 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ccnc(OC)c2)CC1 ZINC000638291664 370427317 /nfs/dbraw/zinc/42/73/17/370427317.db2.gz SGWPBAGUILOOAW-CYBMUJFWSA-N 2 1 277.412 2.095 20 0 CEADMP CC(C)n1nccc1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000354514876 370394475 /nfs/dbraw/zinc/39/44/75/370394475.db2.gz SFQUPCYQPNPSFU-QWHCGFSZSA-N 2 1 250.390 2.036 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)C[C@H]21 ZINC000228534218 370404896 /nfs/dbraw/zinc/40/48/96/370404896.db2.gz RKBPBXVAQCDNTA-BZUAXINKSA-N 2 1 272.392 2.181 20 0 CEADMP C[N@H+]1CCC[C@@H]1CNCc1cc(Cl)cc2c1OCC2 ZINC000228556189 370406339 /nfs/dbraw/zinc/40/63/39/370406339.db2.gz YQOAIWJICJBMFF-CQSZACIVSA-N 2 1 280.799 2.459 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC(n2cccn2)C1 ZINC000638334629 370452354 /nfs/dbraw/zinc/45/23/54/370452354.db2.gz CCXHSSSPLBSXCD-GRTSSRMGSA-N 2 1 273.384 2.017 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000638335341 370453421 /nfs/dbraw/zinc/45/34/21/370453421.db2.gz MOZQZNZZLHHWMA-MDZLAQPJSA-N 2 1 253.415 2.311 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@]12CCCO2 ZINC000638338189 370454191 /nfs/dbraw/zinc/45/41/91/370454191.db2.gz SVQDRPDQKJROMO-ARFHVFGLSA-N 2 1 284.444 2.033 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000354659819 370457333 /nfs/dbraw/zinc/45/73/33/370457333.db2.gz VJOLIWMJXIVCSS-WWGRRREGSA-N 2 1 296.842 2.488 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000354659819 370457338 /nfs/dbraw/zinc/45/73/38/370457338.db2.gz VJOLIWMJXIVCSS-WWGRRREGSA-N 2 1 296.842 2.488 20 0 CEADMP C[C@@H](C[NH2+]CCCc1cnn(C)c1)[N@@H+]1CCCC[C@H]1C ZINC000638361533 370470560 /nfs/dbraw/zinc/47/05/60/370470560.db2.gz QLFIMFAUZGMZKB-CABCVRRESA-N 2 1 278.444 2.205 20 0 CEADMP C[C@@H](C[NH2+]CCCc1cnn(C)c1)[N@H+]1CCCC[C@H]1C ZINC000638361533 370470565 /nfs/dbraw/zinc/47/05/65/370470565.db2.gz QLFIMFAUZGMZKB-CABCVRRESA-N 2 1 278.444 2.205 20 0 CEADMP C[C@@H](C[NH2+]C1CC(n2cccn2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638364242 370473922 /nfs/dbraw/zinc/47/39/22/370473922.db2.gz XZRJBVYBOJEAMC-QVOMUQBLSA-N 2 1 276.428 2.297 20 0 CEADMP C[C@@H](C[NH2+]C1CC(n2cccn2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000638364242 370473927 /nfs/dbraw/zinc/47/39/27/370473927.db2.gz XZRJBVYBOJEAMC-QVOMUQBLSA-N 2 1 276.428 2.297 20 0 CEADMP CO[C@@]1(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCOC1 ZINC000638365497 370475211 /nfs/dbraw/zinc/47/52/11/370475211.db2.gz FDFYMKKXSKWVCA-HZPDHXFCSA-N 2 1 284.444 2.036 20 0 CEADMP COc1cc(C[C@H](C)[NH2+]CCCn2cc[nH+]c2C)ccn1 ZINC000638387837 370492016 /nfs/dbraw/zinc/49/20/16/370492016.db2.gz YLTUJZBWJOGQFD-ZDUSSCGKSA-N 2 1 288.395 2.206 20 0 CEADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638596761 370627717 /nfs/dbraw/zinc/62/77/17/370627717.db2.gz POZVLGXJSJIZIY-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638596761 370627723 /nfs/dbraw/zinc/62/77/23/370627723.db2.gz POZVLGXJSJIZIY-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000638565755 370608029 /nfs/dbraw/zinc/60/80/29/370608029.db2.gz TTYOBPXMYGCSAB-ZIAGYGMSSA-N 2 1 279.428 2.341 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638566728 370608930 /nfs/dbraw/zinc/60/89/30/370608930.db2.gz OKYPOYIQPVVAQT-LSDHHAIUSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000358298998 371001229 /nfs/dbraw/zinc/00/12/29/371001229.db2.gz IVNAKHGEBYAICQ-UWVGGRQHSA-N 2 1 270.364 2.212 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000358398966 371049043 /nfs/dbraw/zinc/04/90/43/371049043.db2.gz XQDNBHWLBVSCGX-ZIAGYGMSSA-N 2 1 283.460 2.142 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000358351885 371029453 /nfs/dbraw/zinc/02/94/53/371029453.db2.gz LZKQLNYRWQPFDY-SWLSCSKDSA-N 2 1 272.396 2.035 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC000358368204 371035424 /nfs/dbraw/zinc/03/54/24/371035424.db2.gz OCWRZQLIEPLODT-QGZVFWFLSA-N 2 1 289.423 2.233 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC1CCSCC1 ZINC000639177049 371053647 /nfs/dbraw/zinc/05/36/47/371053647.db2.gz AENJCONXERTXDM-TZMCWYRMSA-N 2 1 256.459 2.402 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC1CCSCC1 ZINC000639177049 371053651 /nfs/dbraw/zinc/05/36/51/371053651.db2.gz AENJCONXERTXDM-TZMCWYRMSA-N 2 1 256.459 2.402 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC1CCSCC1 ZINC000639177049 371053655 /nfs/dbraw/zinc/05/36/55/371053655.db2.gz AENJCONXERTXDM-TZMCWYRMSA-N 2 1 256.459 2.402 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC1CCSCC1 ZINC000639177049 371053657 /nfs/dbraw/zinc/05/36/57/371053657.db2.gz AENJCONXERTXDM-TZMCWYRMSA-N 2 1 256.459 2.402 20 0 CEADMP CCOC1CC(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000639177541 371055628 /nfs/dbraw/zinc/05/56/28/371055628.db2.gz FDRQTNZRYVBSOJ-VXGQWTEUSA-N 2 1 254.418 2.074 20 0 CEADMP CCOC1CC(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000639177541 371055630 /nfs/dbraw/zinc/05/56/30/371055630.db2.gz FDRQTNZRYVBSOJ-VXGQWTEUSA-N 2 1 254.418 2.074 20 0 CEADMP CCOC1CC(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000639177541 371055635 /nfs/dbraw/zinc/05/56/35/371055635.db2.gz FDRQTNZRYVBSOJ-VXGQWTEUSA-N 2 1 254.418 2.074 20 0 CEADMP CCOC1CC(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000639177541 371055640 /nfs/dbraw/zinc/05/56/40/371055640.db2.gz FDRQTNZRYVBSOJ-VXGQWTEUSA-N 2 1 254.418 2.074 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn3ccccc3n2)[C@@H](C)C1 ZINC000247154400 371070951 /nfs/dbraw/zinc/07/09/51/371070951.db2.gz TWHJFAJADDBMLU-GOEBONIOSA-N 2 1 286.423 2.197 20 0 CEADMP Cc1nn(C)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358484037 371086300 /nfs/dbraw/zinc/08/63/00/371086300.db2.gz QGZOMARKTXLABZ-UKRRQHHQSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1nn(C)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358484037 371086305 /nfs/dbraw/zinc/08/63/05/371086305.db2.gz QGZOMARKTXLABZ-UKRRQHHQSA-N 2 1 290.455 2.471 20 0 CEADMP COc1cc(C[C@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)ccn1 ZINC000639241231 371137148 /nfs/dbraw/zinc/13/71/48/371137148.db2.gz CWTNDYNJLYQQHN-AWEZNQCLSA-N 2 1 291.439 2.485 20 0 CEADMP COc1cc(C[C@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)ccn1 ZINC000639241231 371137154 /nfs/dbraw/zinc/13/71/54/371137154.db2.gz CWTNDYNJLYQQHN-AWEZNQCLSA-N 2 1 291.439 2.485 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000247503087 371117697 /nfs/dbraw/zinc/11/76/97/371117697.db2.gz ODXVZQJXDCLHIW-YHUYYLMFSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@@H+](C)C1CC1 ZINC000358640396 371149888 /nfs/dbraw/zinc/14/98/88/371149888.db2.gz WSELDRHZFSOLQG-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccc(OCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000248023586 371155555 /nfs/dbraw/zinc/15/55/55/371155555.db2.gz OHZUQWUVYFGVEM-GJZGRUSLSA-N 2 1 262.397 2.446 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248155874 371164900 /nfs/dbraw/zinc/16/49/00/371164900.db2.gz RJBFJXZHENTSPG-ZNMIVQPWSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CCO)c2ccccc2)CC[N@H+]1C ZINC000248174283 371168847 /nfs/dbraw/zinc/16/88/47/371168847.db2.gz VHGAGKUJATZPLF-HYVNUMGLSA-N 2 1 276.424 2.225 20 0 CEADMP C(CO[C@H]1CCCCO1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000358833679 371240621 /nfs/dbraw/zinc/24/06/21/371240621.db2.gz RTMDHGQEGMRYLK-SJORKVTESA-N 2 1 296.455 2.337 20 0 CEADMP COc1ncc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000639337768 371247929 /nfs/dbraw/zinc/24/79/29/371247929.db2.gz PCUXEALBIGELTR-CYBMUJFWSA-N 2 1 295.452 2.363 20 0 CEADMP COc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000639337768 371247934 /nfs/dbraw/zinc/24/79/34/371247934.db2.gz PCUXEALBIGELTR-CYBMUJFWSA-N 2 1 295.452 2.363 20 0 CEADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(C)n1 ZINC000639489721 371357780 /nfs/dbraw/zinc/35/77/80/371357780.db2.gz STWQXMHNNOLXTP-HNNXBMFYSA-N 2 1 261.413 2.390 20 0 CEADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(C)n1 ZINC000639489721 371357782 /nfs/dbraw/zinc/35/77/82/371357782.db2.gz STWQXMHNNOLXTP-HNNXBMFYSA-N 2 1 261.413 2.390 20 0 CEADMP C[C@@H]1CCC[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639502955 371367356 /nfs/dbraw/zinc/36/73/56/371367356.db2.gz HXNQCPVSNMNMIX-NVXWUHKLSA-N 2 1 274.408 2.108 20 0 CEADMP C[C@@H]1CCC[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639502955 371367360 /nfs/dbraw/zinc/36/73/60/371367360.db2.gz HXNQCPVSNMNMIX-NVXWUHKLSA-N 2 1 274.408 2.108 20 0 CEADMP C[C@@H]1CCC[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639502955 371367367 /nfs/dbraw/zinc/36/73/67/371367367.db2.gz HXNQCPVSNMNMIX-NVXWUHKLSA-N 2 1 274.408 2.108 20 0 CEADMP C[C@@H]1CCC[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639502955 371367371 /nfs/dbraw/zinc/36/73/71/371367371.db2.gz HXNQCPVSNMNMIX-NVXWUHKLSA-N 2 1 274.408 2.108 20 0 CEADMP CC(C)CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250609305 371387878 /nfs/dbraw/zinc/38/78/78/371387878.db2.gz YMEQHIKLXRTZMF-JKSUJKDBSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251132145 371397670 /nfs/dbraw/zinc/39/76/70/371397670.db2.gz UMYVSJOCZFYHPY-PMPSAXMXSA-N 2 1 265.445 2.077 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000251376853 371400677 /nfs/dbraw/zinc/40/06/77/371400677.db2.gz YHJBINXNCCSCMV-KFWWJZLASA-N 2 1 254.418 2.121 20 0 CEADMP CC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000639567462 371410975 /nfs/dbraw/zinc/41/09/75/371410975.db2.gz QDRGHCLBKVGZIL-GFCCVEGCSA-N 2 1 257.337 2.420 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)O1 ZINC000251814032 371416850 /nfs/dbraw/zinc/41/68/50/371416850.db2.gz MOEPWLWJLULBTJ-KBUPBQIOSA-N 2 1 252.402 2.018 20 0 CEADMP COC[C@@H](C)C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249958839 371371131 /nfs/dbraw/zinc/37/11/31/371371131.db2.gz WARNHUZLQKZVKB-ZNMIVQPWSA-N 2 1 256.434 2.227 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639509185 371371187 /nfs/dbraw/zinc/37/11/87/371371187.db2.gz YSXVAUXOESVQAH-JKSUJKDBSA-N 2 1 298.471 2.234 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000250116027 371377950 /nfs/dbraw/zinc/37/79/50/371377950.db2.gz MXUUPZOFCZZWIY-OWCLPIDISA-N 2 1 278.371 2.076 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359217584 371380322 /nfs/dbraw/zinc/38/03/22/371380322.db2.gz SKGNOGIOCXGQJK-INIZCTEOSA-N 3 1 267.461 2.040 20 0 CEADMP CCOCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682649 371492004 /nfs/dbraw/zinc/49/20/04/371492004.db2.gz HHYYDSWKPPUVOY-UHFFFAOYSA-N 2 1 263.385 2.020 20 0 CEADMP Cc1cccc(C)c1OCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359318906 371427071 /nfs/dbraw/zinc/42/70/71/371427071.db2.gz IINZXOPGJJPIJG-IYBDPMFKSA-N 2 1 274.408 2.224 20 0 CEADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000639644112 371462544 /nfs/dbraw/zinc/46/25/44/371462544.db2.gz MCZUYOQZLGSEQR-HUUCEWRRSA-N 2 1 280.412 2.458 20 0 CEADMP Cc1nc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000252662286 371463810 /nfs/dbraw/zinc/46/38/10/371463810.db2.gz XCOBJRGHJYURFT-STQMWFEESA-N 2 1 265.426 2.476 20 0 CEADMP Cc1nc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000252662286 371463815 /nfs/dbraw/zinc/46/38/15/371463815.db2.gz XCOBJRGHJYURFT-STQMWFEESA-N 2 1 265.426 2.476 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000252715951 371472255 /nfs/dbraw/zinc/47/22/55/371472255.db2.gz XENPDRVZIHVZDN-XJKSGUPXSA-N 2 1 274.408 2.094 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000252713380 371472551 /nfs/dbraw/zinc/47/25/51/371472551.db2.gz OZXIYKKEGPITCD-GDBMZVCRSA-N 2 1 262.397 2.385 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000253186665 371501452 /nfs/dbraw/zinc/50/14/52/371501452.db2.gz IUSGLUADGMNBTO-SQNIBIBYSA-N 2 1 288.435 2.461 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000253186665 371501460 /nfs/dbraw/zinc/50/14/60/371501460.db2.gz IUSGLUADGMNBTO-SQNIBIBYSA-N 2 1 288.435 2.461 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000360141848 371507292 /nfs/dbraw/zinc/50/72/92/371507292.db2.gz URTVKZIBBAHDNX-RYQLBKOJSA-N 2 1 289.467 2.089 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000360141848 371507297 /nfs/dbraw/zinc/50/72/97/371507297.db2.gz URTVKZIBBAHDNX-RYQLBKOJSA-N 2 1 289.467 2.089 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC[NH+](C)C1CCCCC1 ZINC000360486494 371516471 /nfs/dbraw/zinc/51/64/71/371516471.db2.gz XHBZCUDSQUGZQX-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NCC[N@H+](C)C1CCCCC1 ZINC000360486494 371516475 /nfs/dbraw/zinc/51/64/75/371516475.db2.gz XHBZCUDSQUGZQX-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NCC[N@@H+](C)C1CCCCC1 ZINC000360486494 371516480 /nfs/dbraw/zinc/51/64/80/371516480.db2.gz XHBZCUDSQUGZQX-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCOCC3CCC3)C2)CC1 ZINC000639756170 371546223 /nfs/dbraw/zinc/54/62/23/371546223.db2.gz QXGNDEDRDGVGAJ-UHFFFAOYSA-N 2 1 266.429 2.221 20 0 CEADMP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)sc1C ZINC000360922464 371546536 /nfs/dbraw/zinc/54/65/36/371546536.db2.gz QLUIWXSJHRQNMO-RISCZKNCSA-N 2 1 281.469 2.486 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC000639756579 371546951 /nfs/dbraw/zinc/54/69/51/371546951.db2.gz XOCODNHCIJUSLN-UHFFFAOYSA-N 2 1 277.412 2.463 20 0 CEADMP COCCCCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757053 371547096 /nfs/dbraw/zinc/54/70/96/371547096.db2.gz CSNIXQKOCXCPPK-UHFFFAOYSA-N 2 1 254.418 2.221 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757656 371548320 /nfs/dbraw/zinc/54/83/20/371548320.db2.gz KZDMUKRTKQELMJ-UHFFFAOYSA-N 2 1 277.412 2.463 20 0 CEADMP Cc1ccccc1CCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639760304 371549150 /nfs/dbraw/zinc/54/91/50/371549150.db2.gz DUENMTQJTSUMKT-GOSISDBHSA-N 2 1 290.451 2.316 20 0 CEADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639758237 371549173 /nfs/dbraw/zinc/54/91/73/371549173.db2.gz RFCCXGHTBRXAMG-UHFFFAOYSA-N 2 1 275.396 2.008 20 0 CEADMP C[C@H](CCc1ccccc1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761369 371551763 /nfs/dbraw/zinc/55/17/63/371551763.db2.gz HGLNLEBPJCWDCG-AEFFLSMTSA-N 2 1 290.451 2.396 20 0 CEADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767789 371555528 /nfs/dbraw/zinc/55/55/28/371555528.db2.gz SJZORZKWKQQEMW-HUUCEWRRSA-N 2 1 256.434 2.057 20 0 CEADMP Nc1cccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639684099 371493428 /nfs/dbraw/zinc/49/34/28/371493428.db2.gz QUTVLJKRBIJYTN-UHFFFAOYSA-N 2 1 282.391 2.376 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000360954821 371560764 /nfs/dbraw/zinc/56/07/64/371560764.db2.gz HSVWFTKSXWAJTR-CABCVRRESA-N 2 1 297.487 2.391 20 0 CEADMP CN(CCC[N@@H+](C)CCC1CCCC1)CC[NH+](C)C ZINC000344028083 217019012 /nfs/dbraw/zinc/01/90/12/217019012.db2.gz MGWDYRSINIAWET-UHFFFAOYSA-N 2 1 269.477 2.382 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](n2ccnn2)CC1 ZINC000639816717 371592213 /nfs/dbraw/zinc/59/22/13/371592213.db2.gz LMKXFWIALUBVBM-CVEARBPZSA-N 2 1 291.443 2.180 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000361106266 371650741 /nfs/dbraw/zinc/65/07/41/371650741.db2.gz FMLFLKNWQFXLPE-XJKSGUPXSA-N 2 1 261.413 2.182 20 0 CEADMP COc1cc(C)[nH+]c(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261700482 371705334 /nfs/dbraw/zinc/70/53/34/371705334.db2.gz LOLPRDIUYLSRKI-ZWKOTPCHSA-N 2 1 297.402 2.325 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+]([C@H](C)COC)CC1 ZINC000639987046 371715873 /nfs/dbraw/zinc/71/58/73/371715873.db2.gz VFPHZGUZDSDKQA-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP COc1cc2c(c(C[N@@H+]3CC[C@](C)(C[NH3+])C3)c1)O[C@@H](C)C2 ZINC000261743249 371716164 /nfs/dbraw/zinc/71/61/64/371716164.db2.gz KQCOIXQZVADQDC-YVEFUNNKSA-N 2 1 290.407 2.189 20 0 CEADMP COc1cc2c(c(C[N@H+]3CC[C@](C)(C[NH3+])C3)c1)O[C@@H](C)C2 ZINC000261743249 371716170 /nfs/dbraw/zinc/71/61/70/371716170.db2.gz KQCOIXQZVADQDC-YVEFUNNKSA-N 2 1 290.407 2.189 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OC ZINC000261803240 371736443 /nfs/dbraw/zinc/73/64/43/371736443.db2.gz OGEXRLOKPJEHFG-INIZCTEOSA-N 2 1 278.396 2.265 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OC ZINC000261803240 371736447 /nfs/dbraw/zinc/73/64/47/371736447.db2.gz OGEXRLOKPJEHFG-INIZCTEOSA-N 2 1 278.396 2.265 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H](CC(F)(F)F)[C@H]1C ZINC000640026122 371744217 /nfs/dbraw/zinc/74/42/17/371744217.db2.gz YDZZNEQZTZVXMP-NDBYEHHHSA-N 2 1 296.377 2.350 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H](CC(F)(F)F)[C@H]1C ZINC000640026122 371744218 /nfs/dbraw/zinc/74/42/18/371744218.db2.gz YDZZNEQZTZVXMP-NDBYEHHHSA-N 2 1 296.377 2.350 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)C[C@@H](CC(F)(F)F)[C@H]1C ZINC000640026122 371744220 /nfs/dbraw/zinc/74/42/20/371744220.db2.gz YDZZNEQZTZVXMP-NDBYEHHHSA-N 2 1 296.377 2.350 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)C[C@@H](CC(F)(F)F)[C@H]1C ZINC000640026122 371744222 /nfs/dbraw/zinc/74/42/22/371744222.db2.gz YDZZNEQZTZVXMP-NDBYEHHHSA-N 2 1 296.377 2.350 20 0 CEADMP C[C@@H](c1ccccc1Cl)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261873627 371756805 /nfs/dbraw/zinc/75/68/05/371756805.db2.gz ZKQQQIVCGYHNHG-KBPBESRZSA-N 2 1 293.842 2.381 20 0 CEADMP COc1cc(C)c(C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1OC ZINC000261882951 371760648 /nfs/dbraw/zinc/76/06/48/371760648.db2.gz RKCCUQISGIGOIB-KRWDZBQOSA-N 2 1 292.423 2.444 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1OC ZINC000261882951 371760652 /nfs/dbraw/zinc/76/06/52/371760652.db2.gz RKCCUQISGIGOIB-KRWDZBQOSA-N 2 1 292.423 2.444 20 0 CEADMP C[N@H+](CCOc1ccccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000261902870 371766978 /nfs/dbraw/zinc/76/69/78/371766978.db2.gz WMGWAYIBWUAVNW-HNNXBMFYSA-N 2 1 266.360 2.136 20 0 CEADMP C[N@@H+](CCOc1ccccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000261902870 371766984 /nfs/dbraw/zinc/76/69/84/371766984.db2.gz WMGWAYIBWUAVNW-HNNXBMFYSA-N 2 1 266.360 2.136 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261939265 371779428 /nfs/dbraw/zinc/77/94/28/371779428.db2.gz MLKFPZZWGRLIRA-NSHDSACASA-N 2 1 276.409 2.180 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261939265 371779430 /nfs/dbraw/zinc/77/94/30/371779430.db2.gz MLKFPZZWGRLIRA-NSHDSACASA-N 2 1 276.409 2.180 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000261962727 371786779 /nfs/dbraw/zinc/78/67/79/371786779.db2.gz PLQQQDJVFVNDHT-AWEZNQCLSA-N 2 1 276.428 2.099 20 0 CEADMP C[C@H]1COc2ccccc2C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262003803 371797056 /nfs/dbraw/zinc/79/70/56/371797056.db2.gz UKJRPOHWDLCMFC-UONOGXRCSA-N 2 1 260.381 2.269 20 0 CEADMP C[C@H]1COc2ccccc2C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262003803 371797058 /nfs/dbraw/zinc/79/70/58/371797058.db2.gz UKJRPOHWDLCMFC-UONOGXRCSA-N 2 1 260.381 2.269 20 0 CEADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000262187484 371835655 /nfs/dbraw/zinc/83/56/55/371835655.db2.gz XYCDGAPSEXJWKW-IKGGRYGDSA-N 2 1 279.472 2.182 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000262026695 371803385 /nfs/dbraw/zinc/80/33/85/371803385.db2.gz WRDIEMTYBGSRFI-STQMWFEESA-N 2 1 262.397 2.427 20 0 CEADMP C[C@@H]1COc2ccccc2C[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262041042 371808818 /nfs/dbraw/zinc/80/88/18/371808818.db2.gz PCQKCBYJNPNVAR-CZUORRHYSA-N 2 1 260.381 2.269 20 0 CEADMP C[C@@H]1COc2ccccc2C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262041042 371808826 /nfs/dbraw/zinc/80/88/26/371808826.db2.gz PCQKCBYJNPNVAR-CZUORRHYSA-N 2 1 260.381 2.269 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)C[C@@H]21 ZINC000262095428 371823641 /nfs/dbraw/zinc/82/36/41/371823641.db2.gz IHFUUEICQIYZRH-BPQIPLTHSA-N 2 1 296.418 2.432 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344147469 217072889 /nfs/dbraw/zinc/07/28/89/217072889.db2.gz DGUONRJZPWBUKI-UKRRQHHQSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344147469 217072892 /nfs/dbraw/zinc/07/28/92/217072892.db2.gz DGUONRJZPWBUKI-UKRRQHHQSA-N 2 1 265.401 2.065 20 0 CEADMP COc1nccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640533071 372021275 /nfs/dbraw/zinc/02/12/75/372021275.db2.gz BRESOJYLNFITFP-UHFFFAOYSA-N 2 1 292.427 2.183 20 0 CEADMP CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530657 372021340 /nfs/dbraw/zinc/02/13/40/372021340.db2.gz FWMXHEWYVRVUKH-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1(C)C ZINC000344159811 217079757 /nfs/dbraw/zinc/07/97/57/217079757.db2.gz DBNWXVVGFYESRT-MQLXINIDSA-N 2 1 254.418 2.118 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1(C)C ZINC000344159811 217079761 /nfs/dbraw/zinc/07/97/61/217079761.db2.gz DBNWXVVGFYESRT-MQLXINIDSA-N 2 1 254.418 2.118 20 0 CEADMP CCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361717247 372036799 /nfs/dbraw/zinc/03/67/99/372036799.db2.gz BZYGWUYHNRCJBV-UONOGXRCSA-N 2 1 292.427 2.125 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000361804727 372079055 /nfs/dbraw/zinc/07/90/55/372079055.db2.gz OKQNFRWWQHQLGS-MCIONIFRSA-N 2 1 284.444 2.427 20 0 CEADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000344203479 217097495 /nfs/dbraw/zinc/09/74/95/217097495.db2.gz OZJMAOCQCXMTMQ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP COCC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CC[C@@H](C)C1 ZINC000362149176 372243977 /nfs/dbraw/zinc/24/39/77/372243977.db2.gz LBXVFKUBCRMJDF-UKRRQHHQSA-N 2 1 265.401 2.329 20 0 CEADMP COCC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CC[C@@H](C)C1 ZINC000362149176 372243980 /nfs/dbraw/zinc/24/39/80/372243980.db2.gz LBXVFKUBCRMJDF-UKRRQHHQSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000362180274 372259122 /nfs/dbraw/zinc/25/91/22/372259122.db2.gz PMXQPISEYPYPTF-GJZGRUSLSA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000362180274 372259128 /nfs/dbraw/zinc/25/91/28/372259128.db2.gz PMXQPISEYPYPTF-GJZGRUSLSA-N 2 1 263.385 2.225 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000362302086 372304657 /nfs/dbraw/zinc/30/46/57/372304657.db2.gz WLNAEAISERWZFF-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000269030430 372317435 /nfs/dbraw/zinc/31/74/35/372317435.db2.gz RQZMYRDINCRDLQ-VLXJIEOASA-N 2 1 282.453 2.415 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCSC)C1 ZINC000362483997 372382483 /nfs/dbraw/zinc/38/24/83/372382483.db2.gz ILNCLEBCQBYSAK-AWEZNQCLSA-N 2 1 274.474 2.172 20 0 CEADMP CCc1cc(NCC[NH+]2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000269758353 372558629 /nfs/dbraw/zinc/55/86/29/372558629.db2.gz VYJXTDXBCDTKBE-UHFFFAOYSA-N 2 1 298.434 2.457 20 0 CEADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCC2 ZINC000269955429 372613486 /nfs/dbraw/zinc/61/34/86/372613486.db2.gz KGPHZETUSBPMND-WMZOPIPTSA-N 2 1 288.435 2.419 20 0 CEADMP CCCC[NH+]1CCC([NH2+]Cc2ccncc2N)CC1 ZINC000641715552 372651276 /nfs/dbraw/zinc/65/12/76/372651276.db2.gz XAQFFJMLLJRWML-UHFFFAOYSA-N 2 1 262.401 2.018 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cscn2)[C@@H]2CCC[C@H]21 ZINC000353390561 220057484 /nfs/dbraw/zinc/05/74/84/220057484.db2.gz ZQMLXMODTIUZKR-MELADBBJSA-N 2 1 265.426 2.148 20 0 CEADMP COc1cc(C)nc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000270290333 372731060 /nfs/dbraw/zinc/73/10/60/372731060.db2.gz NHIPVLALCFINJM-ZFWWWQNUSA-N 2 1 277.412 2.313 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cccc2c1CCC2 ZINC000641770097 372712358 /nfs/dbraw/zinc/71/23/58/372712358.db2.gz JPDPQZNDKBTPRY-KRWDZBQOSA-N 2 1 290.451 2.358 20 0 CEADMP COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000344577053 217235311 /nfs/dbraw/zinc/23/53/11/217235311.db2.gz FNMJWCARYMAMTI-MRXNPFEDSA-N 2 1 290.407 2.174 20 0 CEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000641801516 372743312 /nfs/dbraw/zinc/74/33/12/372743312.db2.gz ROXAKAWHEHDCOT-RYUDHWBXSA-N 2 1 299.777 2.133 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000641801906 372744156 /nfs/dbraw/zinc/74/41/56/372744156.db2.gz GPXGCCJMANCRPO-KGLIPLIRSA-N 2 1 271.364 2.156 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000641817976 372765002 /nfs/dbraw/zinc/76/50/02/372765002.db2.gz ARAKFNJKHLFWMH-HRCADAONSA-N 2 1 278.440 2.410 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000641817976 372765007 /nfs/dbraw/zinc/76/50/07/372765007.db2.gz ARAKFNJKHLFWMH-HRCADAONSA-N 2 1 278.440 2.410 20 0 CEADMP Cc1ccc(NC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1Cl ZINC000641807936 372754644 /nfs/dbraw/zinc/75/46/44/372754644.db2.gz VXZNJCGOKAPROV-CHWSQXEVSA-N 2 1 295.814 2.302 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1cc(F)ccc1F ZINC000641808239 372756552 /nfs/dbraw/zinc/75/65/52/372756552.db2.gz UBZROIQQFAQSKM-AQUOVQTQSA-N 2 1 297.349 2.007 20 0 CEADMP C(C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)C[NH+]1CCCCC1 ZINC000364599726 372768092 /nfs/dbraw/zinc/76/80/92/372768092.db2.gz AJPWDGSEBFXKEZ-JKSUJKDBSA-N 2 1 266.429 2.221 20 0 CEADMP CC[C@](C)(O)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000364613084 372773362 /nfs/dbraw/zinc/77/33/62/372773362.db2.gz OJDCKIHIZDBUCF-ZBFHGGJFSA-N 2 1 280.456 2.344 20 0 CEADMP Oc1ccc2c(c1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000643057497 372938637 /nfs/dbraw/zinc/93/86/37/372938637.db2.gz DAGKLMZQIZMJNV-CQSZACIVSA-N 2 1 274.408 2.183 20 0 CEADMP COCC[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000643057551 372939017 /nfs/dbraw/zinc/93/90/17/372939017.db2.gz PWISTVWYCZGSMH-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)NC1CCC([NH3+])CC1)c1ccccc1 ZINC000131865739 284367446 /nfs/dbraw/zinc/36/74/46/284367446.db2.gz ILYWEORKWIWDQD-UYSNPLJNSA-N 2 1 289.423 2.066 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643251851 372998303 /nfs/dbraw/zinc/99/83/03/372998303.db2.gz JQQBBFZYJWDMAW-LEUOFYLZSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643251848 372998859 /nfs/dbraw/zinc/99/88/59/372998859.db2.gz JQQBBFZYJWDMAW-BGTYHANMSA-N 2 1 288.435 2.258 20 0 CEADMP Cc1[nH]ncc1[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000643349796 373077540 /nfs/dbraw/zinc/07/75/40/373077540.db2.gz CFINRKGCKNDXBX-QFWMXSHPSA-N 2 1 250.390 2.242 20 0 CEADMP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000643496184 373154998 /nfs/dbraw/zinc/15/49/98/373154998.db2.gz NFUWFSOKXUDWBD-AWEZNQCLSA-N 2 1 252.308 2.294 20 0 CEADMP C([NH2+][C@H]1CCCC12CCOCC2)[C@H]1CCCC[NH2+]1 ZINC000643502827 373161314 /nfs/dbraw/zinc/16/13/14/373161314.db2.gz SPPYRNYSUFOWJY-KGLIPLIRSA-N 2 1 252.402 2.067 20 0 CEADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 ZINC000643502377 373162122 /nfs/dbraw/zinc/16/21/22/373162122.db2.gz FACNESKRSRWNBY-ILXRZTDVSA-N 2 1 276.428 2.178 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643505973 373165171 /nfs/dbraw/zinc/16/51/71/373165171.db2.gz GLXIXLXGVJMJFU-CYBMUJFWSA-N 2 1 262.397 2.358 20 0 CEADMP c1cncc([C@@H]2CCC[C@H]([NH2+]CC[NH2+]C3CC3)C2)c1 ZINC000643507575 373169260 /nfs/dbraw/zinc/16/92/60/373169260.db2.gz JAEZBCMFWXADPC-CJNGLKHVSA-N 2 1 259.397 2.449 20 0 CEADMP CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201809 373140994 /nfs/dbraw/zinc/14/09/94/373140994.db2.gz VWUIAPNLGFUAKD-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201810 373142010 /nfs/dbraw/zinc/14/20/10/373142010.db2.gz VWUIAPNLGFUAKD-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c(C)c1OC ZINC000643526770 373183586 /nfs/dbraw/zinc/18/35/86/373183586.db2.gz GBGBVLGWIMHJLT-MWLCHTKSSA-N 2 1 252.358 2.010 20 0 CEADMP CC(C)[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H](O)C(F)(F)F ZINC000643883487 373293933 /nfs/dbraw/zinc/29/39/33/373293933.db2.gz YMKHIKDRCJMQFM-STQMWFEESA-N 2 1 296.377 2.397 20 0 CEADMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000369053215 373321626 /nfs/dbraw/zinc/32/16/26/373321626.db2.gz CEZZEEMAHWUQDV-ZIAGYGMSSA-N 2 1 292.427 2.120 20 0 CEADMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000369053215 373321632 /nfs/dbraw/zinc/32/16/32/373321632.db2.gz CEZZEEMAHWUQDV-ZIAGYGMSSA-N 2 1 292.427 2.120 20 0 CEADMP CCc1nn(C)c(Cl)c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369376941 373401933 /nfs/dbraw/zinc/40/19/33/373401933.db2.gz BSUYQEYNAMDCPX-NWDGAFQWSA-N 2 1 296.846 2.352 20 0 CEADMP Cc1cncc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353621716 220199862 /nfs/dbraw/zinc/19/98/62/220199862.db2.gz MPJPJABLVCILCR-ARFHVFGLSA-N 2 1 259.397 2.352 20 0 CEADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000369616456 373470829 /nfs/dbraw/zinc/47/08/29/373470829.db2.gz SDRYVNYLMBNPAT-HZPDHXFCSA-N 2 1 288.439 2.298 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CCC=CO3)C2)CC1 ZINC000369703680 373493234 /nfs/dbraw/zinc/49/32/34/373493234.db2.gz NIAQHXIRKPGDFP-OAHLLOKOSA-N 2 1 264.413 2.487 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3cc[nH]c3n2)[C@@H](C)C1 ZINC000353625905 220203016 /nfs/dbraw/zinc/20/30/16/220203016.db2.gz HLGFIKHKQYPNBS-SWLSCSKDSA-N 2 1 272.396 2.383 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3cc[nH]c3n2)[C@@H](C)C1 ZINC000353625905 220203020 /nfs/dbraw/zinc/20/30/20/220203020.db2.gz HLGFIKHKQYPNBS-SWLSCSKDSA-N 2 1 272.396 2.383 20 0 CEADMP CC(C)[NH+]1CCC(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000132638516 220206426 /nfs/dbraw/zinc/20/64/26/220206426.db2.gz FDDUDYLNVPPFQR-ZFWWWQNUSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3COCCOC3)CC2)C1 ZINC000644551767 373526494 /nfs/dbraw/zinc/52/64/94/373526494.db2.gz AFJUKBSTKLSFHD-WMLDXEAASA-N 2 1 296.455 2.035 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCC(C)(C)C1)C1CC1 ZINC000644664855 373593476 /nfs/dbraw/zinc/59/34/76/373593476.db2.gz FZTKXPHAZBKUCG-ZFWWWQNUSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCC(C)(C)C1)C1CC1 ZINC000644664855 373593481 /nfs/dbraw/zinc/59/34/81/373593481.db2.gz FZTKXPHAZBKUCG-ZFWWWQNUSA-N 2 1 268.445 2.248 20 0 CEADMP COC(=O)[C@@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000370160463 373593560 /nfs/dbraw/zinc/59/35/60/373593560.db2.gz GWTGVAOFJJABIG-JKSUJKDBSA-N 2 1 296.455 2.384 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ncccc2F)[C@H]2CCC[C@H]21 ZINC000353642776 220216028 /nfs/dbraw/zinc/21/60/28/220216028.db2.gz IITLFWBRGQQSJX-VHDGCEQUSA-N 2 1 293.386 2.062 20 0 CEADMP CCn1nccc1CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000370278642 373624217 /nfs/dbraw/zinc/62/42/17/373624217.db2.gz IADWZEJUKNQVCE-INIZCTEOSA-N 2 1 290.455 2.253 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000262107534 220222756 /nfs/dbraw/zinc/22/27/56/220222756.db2.gz WBKZWYLZNYYKCW-MRXNPFEDSA-N 2 1 276.428 2.095 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000262107534 220222760 /nfs/dbraw/zinc/22/27/60/220222760.db2.gz WBKZWYLZNYYKCW-MRXNPFEDSA-N 2 1 276.428 2.095 20 0 CEADMP CSCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370620143 373699837 /nfs/dbraw/zinc/69/98/37/373699837.db2.gz LJPILGFZQPWFBZ-QLFBSQMISA-N 2 1 286.485 2.219 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)O ZINC000370634563 373702165 /nfs/dbraw/zinc/70/21/65/373702165.db2.gz LUDTYCVEBNLKBX-GDBMZVCRSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)O ZINC000370634563 373702168 /nfs/dbraw/zinc/70/21/68/373702168.db2.gz LUDTYCVEBNLKBX-GDBMZVCRSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272947987 373728604 /nfs/dbraw/zinc/72/86/04/373728604.db2.gz UWOSPGWLHYORFE-OFQRWUPVSA-N 2 1 262.397 2.010 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272947987 373728613 /nfs/dbraw/zinc/72/86/13/373728613.db2.gz UWOSPGWLHYORFE-OFQRWUPVSA-N 2 1 262.397 2.010 20 0 CEADMP O=C(N[C@@H]1CCC[N@H+](C2CCCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000371264085 373824632 /nfs/dbraw/zinc/82/46/32/373824632.db2.gz IBOAVVUSISVOEA-GDBMZVCRSA-N 2 1 293.455 2.042 20 0 CEADMP Cc1ccncc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371295219 373834755 /nfs/dbraw/zinc/83/47/55/373834755.db2.gz PSSMAWRLMJXOLX-IXDOHACOSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ccncc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371295219 373834768 /nfs/dbraw/zinc/83/47/68/373834768.db2.gz PSSMAWRLMJXOLX-IXDOHACOSA-N 2 1 289.423 2.074 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2C[Si](C)(C)C ZINC000371293280 373835466 /nfs/dbraw/zinc/83/54/66/373835466.db2.gz GGYHXPAEVQRFOZ-HZSPNIEDSA-N 2 1 270.493 2.047 20 0 CEADMP CCOC(=O)CCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000371692453 373952202 /nfs/dbraw/zinc/95/22/02/373952202.db2.gz JODQPONLMJMNLF-UHFFFAOYSA-N 2 1 282.428 2.280 20 0 CEADMP CCOC(=O)CCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000371692453 373952206 /nfs/dbraw/zinc/95/22/06/373952206.db2.gz JODQPONLMJMNLF-UHFFFAOYSA-N 2 1 282.428 2.280 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1cccnc1 ZINC000289505726 197381732 /nfs/dbraw/zinc/38/17/32/197381732.db2.gz UCBWQHZCGWKDCW-UHFFFAOYSA-N 2 1 287.411 2.245 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1cccnc1 ZINC000289505726 197381734 /nfs/dbraw/zinc/38/17/34/197381734.db2.gz UCBWQHZCGWKDCW-UHFFFAOYSA-N 2 1 287.411 2.245 20 0 CEADMP CN(CCC[N@@H+](C)Cc1ccc(F)c(F)c1)CC[NH+](C)C ZINC000289520732 197387786 /nfs/dbraw/zinc/38/77/86/197387786.db2.gz VOQKPOGCBQZKJN-UHFFFAOYSA-N 2 1 299.409 2.280 20 0 CEADMP COc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c(OC)c1 ZINC000275273374 374202955 /nfs/dbraw/zinc/20/29/55/374202955.db2.gz LWRFHHSQMFXLJJ-CJNGLKHVSA-N 2 1 292.423 2.476 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(C)=O ZINC000372945876 374226706 /nfs/dbraw/zinc/22/67/06/374226706.db2.gz FGYKPPXMDPCYNS-IRXDYDNUSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000373162936 374281954 /nfs/dbraw/zinc/28/19/54/374281954.db2.gz FLQJGUPRHYVSGC-WBVHZDCISA-N 2 1 274.408 2.448 20 0 CEADMP CC[NH+](CC)CCC[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000276932934 374350767 /nfs/dbraw/zinc/35/07/67/374350767.db2.gz RDSCLBUIFKWCCU-UHFFFAOYSA-N 2 1 291.439 2.096 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000276932934 374350774 /nfs/dbraw/zinc/35/07/74/374350774.db2.gz RDSCLBUIFKWCCU-UHFFFAOYSA-N 2 1 291.439 2.096 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)OC(C)C ZINC000277358996 374491446 /nfs/dbraw/zinc/49/14/46/374491446.db2.gz XAAAEXUWBFACQN-UHFFFAOYSA-N 2 1 295.427 2.499 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)OC(C)C ZINC000277358996 374491456 /nfs/dbraw/zinc/49/14/56/374491456.db2.gz XAAAEXUWBFACQN-UHFFFAOYSA-N 2 1 295.427 2.499 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC12CCOCC2 ZINC000374285380 374530963 /nfs/dbraw/zinc/53/09/63/374530963.db2.gz BLEILFBJGPVLOB-HIFRSBDPSA-N 2 1 277.412 2.376 20 0 CEADMP CCCCOCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375839881 374683547 /nfs/dbraw/zinc/68/35/47/374683547.db2.gz NWRCUDBXHWBKJC-BRWVUGGUSA-N 2 1 298.471 2.282 20 0 CEADMP Cn1cnc2cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC000334250986 206257717 /nfs/dbraw/zinc/25/77/17/206257717.db2.gz KAXJHGMHBGFOJR-KRWDZBQOSA-N 2 1 284.407 2.149 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC000334250986 206257722 /nfs/dbraw/zinc/25/77/22/206257722.db2.gz KAXJHGMHBGFOJR-KRWDZBQOSA-N 2 1 284.407 2.149 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000278165375 374738104 /nfs/dbraw/zinc/73/81/04/374738104.db2.gz ATGWBOKVZGWSNQ-BBWFWOEESA-N 2 1 274.408 2.245 20 0 CEADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(OC)c1 ZINC000278330542 374782077 /nfs/dbraw/zinc/78/20/77/374782077.db2.gz WGEZDZOQVKKJQT-GOOCMWNKSA-N 2 1 290.407 2.419 20 0 CEADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(OC)c1 ZINC000278330542 374782085 /nfs/dbraw/zinc/78/20/85/374782085.db2.gz WGEZDZOQVKKJQT-GOOCMWNKSA-N 2 1 290.407 2.419 20 0 CEADMP C[N@@H+](Cc1cnoc1C1CC1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377684899 374922608 /nfs/dbraw/zinc/92/26/08/374922608.db2.gz XOKBBBXFFGKJTD-GFCCVEGCSA-N 2 1 286.379 2.443 20 0 CEADMP C[N@H+](Cc1cnoc1C1CC1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377684899 374922613 /nfs/dbraw/zinc/92/26/13/374922613.db2.gz XOKBBBXFFGKJTD-GFCCVEGCSA-N 2 1 286.379 2.443 20 0 CEADMP Cc1ccncc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000279537042 374908854 /nfs/dbraw/zinc/90/88/54/374908854.db2.gz ADBLJLJNYIUBGO-UHFFFAOYSA-N 2 1 259.397 2.497 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(C)c1cccc(-n2ccnc2C)n1 ZINC000378196696 375040380 /nfs/dbraw/zinc/04/03/80/375040380.db2.gz PPRRFIQVWYIPMM-HNNXBMFYSA-N 2 1 299.422 2.496 20 0 CEADMP CC[N@@H+]1CCC[C@H]1CN(C)c1cccc(-n2cc[nH+]c2C)n1 ZINC000378196696 375040387 /nfs/dbraw/zinc/04/03/87/375040387.db2.gz PPRRFIQVWYIPMM-HNNXBMFYSA-N 2 1 299.422 2.496 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(C)c1cccc(-n2cc[nH+]c2C)n1 ZINC000378196696 375040392 /nfs/dbraw/zinc/04/03/92/375040392.db2.gz PPRRFIQVWYIPMM-HNNXBMFYSA-N 2 1 299.422 2.496 20 0 CEADMP Cc1cc(NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000377973695 374991280 /nfs/dbraw/zinc/99/12/80/374991280.db2.gz RFIUTGTUXWVSAD-RDJZCZTQSA-N 2 1 282.391 2.312 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccnn1C(C)C ZINC000280059184 375076238 /nfs/dbraw/zinc/07/62/38/375076238.db2.gz WUQYZBRCHAQMSS-ZDUSSCGKSA-N 2 1 275.400 2.395 20 0 CEADMP C[C@H]([NH3+])[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379655665 375157116 /nfs/dbraw/zinc/15/71/16/375157116.db2.gz MLPTUJVYEPQJBP-JKQORVJESA-N 2 1 275.440 2.365 20 0 CEADMP C[C@@]1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCCS1 ZINC000383021671 375197540 /nfs/dbraw/zinc/19/75/40/375197540.db2.gz RSFDFILJEBJOHV-JSGCOSHPSA-N 2 1 254.443 2.346 20 0 CEADMP Cc1cc(C)cc(OCCC[N@H+](C)C2CC([NH3+])C2)c1 ZINC000384841127 375219350 /nfs/dbraw/zinc/21/93/50/375219350.db2.gz JAAICLMXOXBRJQ-UHFFFAOYSA-N 2 1 262.397 2.494 20 0 CEADMP Cc1ccc(OCCC[N@H+](C)C2CC([NH3+])C2)cc1C ZINC000384901709 375220710 /nfs/dbraw/zinc/22/07/10/375220710.db2.gz WUYZGQLGFSFGLS-UHFFFAOYSA-N 2 1 262.397 2.494 20 0 CEADMP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000388267010 375287307 /nfs/dbraw/zinc/28/73/07/375287307.db2.gz CTFGXQPNLQMFFW-MXAVVETBSA-N 2 1 252.402 2.016 20 0 CEADMP COc1ccccc1CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386584009 375262444 /nfs/dbraw/zinc/26/24/44/375262444.db2.gz POVYDSLFXBKMAK-ZFWWWQNUSA-N 2 1 262.397 2.358 20 0 CEADMP C[C@H](NCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000386579437 375262558 /nfs/dbraw/zinc/26/25/58/375262558.db2.gz OEKBXXRSNMUARU-PMPSAXMXSA-N 2 1 267.461 2.371 20 0 CEADMP CCc1cc(N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)nc(C)[nH+]1 ZINC000397286777 375339549 /nfs/dbraw/zinc/33/95/49/375339549.db2.gz VASYWFRHWOXHCQ-MDZLAQPJSA-N 2 1 262.401 2.157 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000684407017 541996733 /nfs/dbraw/zinc/99/67/33/541996733.db2.gz BQSSNPWTGAZQQW-OWCLPIDISA-N 2 1 284.444 2.035 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000684407017 541996736 /nfs/dbraw/zinc/99/67/36/541996736.db2.gz BQSSNPWTGAZQQW-OWCLPIDISA-N 2 1 284.444 2.035 20 0 CEADMP CO[C@H]([C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000388278240 321883662 /nfs/dbraw/zinc/88/36/62/321883662.db2.gz KKJSTMBKTLOZJX-XHDPSFHLSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](CCO)Cc2cccc(F)c2)CC[NH2+]1 ZINC000414763018 375955221 /nfs/dbraw/zinc/95/52/21/375955221.db2.gz WWAZGVPNLMTFFF-UKRRQHHQSA-N 2 1 280.387 2.008 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000414770993 375960784 /nfs/dbraw/zinc/96/07/84/375960784.db2.gz OPHJALZXWJFBHX-LTIDMASMSA-N 2 1 256.393 2.474 20 0 CEADMP CCCCCNC(=O)C1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000414679904 375915154 /nfs/dbraw/zinc/91/51/54/375915154.db2.gz SLSQNPWLXKUJRC-MRXNPFEDSA-N 2 1 297.487 2.378 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2CN2CCCCC2)CC[NH2+]1 ZINC000414685909 375917230 /nfs/dbraw/zinc/91/72/30/375917230.db2.gz DZNNVFCYVJSPCM-ZACQAIPSSA-N 2 1 279.472 2.325 20 0 CEADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CCC(C)(C)CC1 ZINC000414698149 375925976 /nfs/dbraw/zinc/92/59/76/375925976.db2.gz IQGLBZTYLFJPFR-AWEZNQCLSA-N 2 1 295.471 2.084 20 0 CEADMP COC1CCC([N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414698373 375926105 /nfs/dbraw/zinc/92/61/05/375926105.db2.gz QRDHTWMZXMJNCO-HESLUPGFSA-N 2 1 254.418 2.264 20 0 CEADMP COC1CCC([N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414698372 375927068 /nfs/dbraw/zinc/92/70/68/375927068.db2.gz QRDHTWMZXMJNCO-DNDYEEKYSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000414701928 375928911 /nfs/dbraw/zinc/92/89/11/375928911.db2.gz HDVOJIUUEJGFKU-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000414701928 375928915 /nfs/dbraw/zinc/92/89/15/375928915.db2.gz HDVOJIUUEJGFKU-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](CCCO)CC(C)(C)C)CC[NH2+]1 ZINC000414704479 375930359 /nfs/dbraw/zinc/93/03/59/375930359.db2.gz WBZONSCVRYYDGF-KBPBESRZSA-N 2 1 256.434 2.105 20 0 CEADMP CC[N@@H+](CCc1nccs1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414714046 375936489 /nfs/dbraw/zinc/93/64/89/375936489.db2.gz WWGJKFIGVNYQDJ-STQMWFEESA-N 2 1 267.442 2.396 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](C)CCc2nccs2)CC[NH2+]1 ZINC000414715596 375936588 /nfs/dbraw/zinc/93/65/88/375936588.db2.gz YVTFYARHIUOTMD-RYUDHWBXSA-N 2 1 253.415 2.006 20 0 CEADMP [NH3+]CCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414722182 375939725 /nfs/dbraw/zinc/93/97/25/375939725.db2.gz KZCNKBWVSFIXMM-CQSZACIVSA-N 3 1 279.453 2.041 20 0 CEADMP [NH3+]CCCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414722182 375939731 /nfs/dbraw/zinc/93/97/31/375939731.db2.gz KZCNKBWVSFIXMM-CQSZACIVSA-N 2 1 279.453 2.041 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000414795713 375979721 /nfs/dbraw/zinc/97/97/21/375979721.db2.gz GZRHCUXTHABYTK-GFCCVEGCSA-N 2 1 274.286 2.412 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1C ZINC000414743228 375947962 /nfs/dbraw/zinc/94/79/62/375947962.db2.gz OMANBLHTPSRAKI-QXSJWSMHSA-N 3 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1C ZINC000414743228 375947967 /nfs/dbraw/zinc/94/79/67/375947967.db2.gz OMANBLHTPSRAKI-QXSJWSMHSA-N 3 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1C ZINC000414743228 375947973 /nfs/dbraw/zinc/94/79/73/375947973.db2.gz OMANBLHTPSRAKI-QXSJWSMHSA-N 3 1 267.461 2.179 20 0 CEADMP CCN1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1C ZINC000414743228 375947975 /nfs/dbraw/zinc/94/79/75/375947975.db2.gz OMANBLHTPSRAKI-QXSJWSMHSA-N 2 1 267.461 2.179 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1C ZINC000414743228 375947979 /nfs/dbraw/zinc/94/79/79/375947979.db2.gz OMANBLHTPSRAKI-QXSJWSMHSA-N 2 1 267.461 2.179 20 0 CEADMP COc1ccc(C[C@@H](C)C[NH2+][C@H](C[NH3+])C2CC2)cc1F ZINC000414806838 375993088 /nfs/dbraw/zinc/99/30/88/375993088.db2.gz NMQGSQBPXWZOHO-IAQYHMDHSA-N 2 1 280.387 2.340 20 0 CEADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414812554 375999632 /nfs/dbraw/zinc/99/96/32/375999632.db2.gz XLACKMXGQQVFCG-BLLLJJGKSA-N 2 1 289.423 2.293 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000414819450 376005834 /nfs/dbraw/zinc/00/58/34/376005834.db2.gz HQCYEXJTMIFJAL-DZOHQFGASA-N 2 1 287.451 2.457 20 0 CEADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]CC2CC2)cc1 ZINC000414877993 376011479 /nfs/dbraw/zinc/01/14/79/376011479.db2.gz GSKLORZOBBNROV-CVEARBPZSA-N 2 1 260.381 2.140 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000414801480 375987011 /nfs/dbraw/zinc/98/70/11/375987011.db2.gz UEFAGPLIFDQTIA-LBPRGKRZSA-N 2 1 278.425 2.222 20 0 CEADMP CCCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1OC ZINC000414803763 375988986 /nfs/dbraw/zinc/98/89/86/375988986.db2.gz OALWRTBPFLPJAH-AWEZNQCLSA-N 2 1 278.396 2.311 20 0 CEADMP CCc1nc(C)cc(N[C@H](C)C2=CC[N@@H+](C)CC2)n1 ZINC000287088736 376146311 /nfs/dbraw/zinc/14/63/11/376146311.db2.gz YNXLNXXXBBAAJN-GFCCVEGCSA-N 2 1 260.385 2.410 20 0 CEADMP CCc1nc(N[C@H](C)C2=CC[N@@H+](C)CC2)cc(C)[nH+]1 ZINC000287088736 376146317 /nfs/dbraw/zinc/14/63/17/376146317.db2.gz YNXLNXXXBBAAJN-GFCCVEGCSA-N 2 1 260.385 2.410 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CC(C)C)OC)[C@H](C)C1 ZINC000417360808 376187081 /nfs/dbraw/zinc/18/70/81/376187081.db2.gz KGDGIARJPUDDTO-KFWWJZLASA-N 2 1 256.434 2.367 20 0 CEADMP C[C@@H]1[C@H](NC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000287351622 376213513 /nfs/dbraw/zinc/21/35/13/376213513.db2.gz NMLLAXREMLGMAH-CRAIPNDOSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1[C@H](NC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000287351622 376213519 /nfs/dbraw/zinc/21/35/19/376213519.db2.gz NMLLAXREMLGMAH-CRAIPNDOSA-N 2 1 287.451 2.333 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](OCc2ccncc2)C1 ZINC000287748160 376308332 /nfs/dbraw/zinc/30/83/32/376308332.db2.gz LMNWLPFAEZZUEX-SJORKVTESA-N 2 1 289.423 2.157 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287748160 376308339 /nfs/dbraw/zinc/30/83/39/376308339.db2.gz LMNWLPFAEZZUEX-SJORKVTESA-N 2 1 289.423 2.157 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287748160 376308347 /nfs/dbraw/zinc/30/83/47/376308347.db2.gz LMNWLPFAEZZUEX-SJORKVTESA-N 2 1 289.423 2.157 20 0 CEADMP COc1ccncc1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000287934765 376344040 /nfs/dbraw/zinc/34/40/40/376344040.db2.gz XASGAAPLLOBZQS-JSGCOSHPSA-N 2 1 263.385 2.005 20 0 CEADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOCC2CCC2)C1 ZINC000419216108 376397309 /nfs/dbraw/zinc/39/73/09/376397309.db2.gz NJRZNOZLIBHZLG-KRWDZBQOSA-N 2 1 280.456 2.467 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOCC2CCC2)C1 ZINC000419216108 376397316 /nfs/dbraw/zinc/39/73/16/376397316.db2.gz NJRZNOZLIBHZLG-KRWDZBQOSA-N 2 1 280.456 2.467 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC000419216108 376397323 /nfs/dbraw/zinc/39/73/23/376397323.db2.gz NJRZNOZLIBHZLG-KRWDZBQOSA-N 2 1 280.456 2.467 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOCC2CCC2)C1 ZINC000419216108 376397328 /nfs/dbraw/zinc/39/73/28/376397328.db2.gz NJRZNOZLIBHZLG-KRWDZBQOSA-N 2 1 280.456 2.467 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)C[C@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000262826947 190063419 /nfs/dbraw/zinc/06/34/19/190063419.db2.gz HLXAMBCWYDMEAE-BMFZPTHFSA-N 2 1 289.423 2.018 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000263333135 190068025 /nfs/dbraw/zinc/06/80/25/190068025.db2.gz MQOOQAQSGVSVMA-HOCLYGCPSA-N 2 1 289.423 2.067 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOC(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000556887575 376514344 /nfs/dbraw/zinc/51/43/44/376514344.db2.gz ZIGPMMFUWRCALI-RDBSUJKOSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000289896904 376550174 /nfs/dbraw/zinc/55/01/74/376550174.db2.gz MUODZUBDQXQWEV-ZTFGCOKTSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000289896904 376550182 /nfs/dbraw/zinc/55/01/82/376550182.db2.gz MUODZUBDQXQWEV-ZTFGCOKTSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1[C@H](c2ccccc2)CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000289896904 376550198 /nfs/dbraw/zinc/55/01/98/376550198.db2.gz MUODZUBDQXQWEV-ZTFGCOKTSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1[C@H](c2ccccc2)CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289896904 376550202 /nfs/dbraw/zinc/55/02/02/376550202.db2.gz MUODZUBDQXQWEV-ZTFGCOKTSA-N 2 1 288.435 2.320 20 0 CEADMP c1nn2ccccc2c1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000264232485 190098343 /nfs/dbraw/zinc/09/83/43/190098343.db2.gz BWMKWIULPRYRQD-UHFFFAOYSA-N 2 1 284.407 2.441 20 0 CEADMP NC(=O)c1cccc(C[N@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000309794295 376606304 /nfs/dbraw/zinc/60/63/04/376606304.db2.gz HVDPBBLKOGFQTB-UHFFFAOYSA-N 2 1 297.402 2.137 20 0 CEADMP NC(=O)c1cccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000309794295 376606309 /nfs/dbraw/zinc/60/63/09/376606309.db2.gz HVDPBBLKOGFQTB-UHFFFAOYSA-N 2 1 297.402 2.137 20 0 CEADMP Cc1cnn([C@@H]2CC[N@H+](CCCn3cc[nH+]c3C)C2)c1 ZINC000289977894 376585458 /nfs/dbraw/zinc/58/54/58/376585458.db2.gz RLZBWKWHMMXREM-OAHLLOKOSA-N 2 1 273.384 2.034 20 0 CEADMP Cc1cnn([C@@H]2CC[N@@H+](CCCn3cc[nH+]c3C)C2)c1 ZINC000289977894 376585466 /nfs/dbraw/zinc/58/54/66/376585466.db2.gz RLZBWKWHMMXREM-OAHLLOKOSA-N 2 1 273.384 2.034 20 0 CEADMP [NH3+]C[C@H]1CCCC[N@@H+]1CCCOCc1ccccc1 ZINC000310016013 376612480 /nfs/dbraw/zinc/61/24/80/376612480.db2.gz OBXJJHZMZOVRRB-MRXNPFEDSA-N 2 1 262.397 2.407 20 0 CEADMP [NH3+]C[C@H]1CCCC[N@H+]1CCCOCc1ccccc1 ZINC000310016013 376612485 /nfs/dbraw/zinc/61/24/85/376612485.db2.gz OBXJJHZMZOVRRB-MRXNPFEDSA-N 2 1 262.397 2.407 20 0 CEADMP C[C@H](C[NH2+][C@H](C)c1cn[nH]c1)C[NH+]1CCCCC1 ZINC000310641998 376630022 /nfs/dbraw/zinc/63/00/22/376630022.db2.gz CLHHCEDFDBEKTA-CHWSQXEVSA-N 2 1 250.390 2.182 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cn[nH]c1 ZINC000310642000 376630233 /nfs/dbraw/zinc/63/02/33/376630233.db2.gz CLHHCEDFDBEKTA-QWHCGFSZSA-N 2 1 250.390 2.182 20 0 CEADMP C(CC1CCOCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310651653 376630275 /nfs/dbraw/zinc/63/02/75/376630275.db2.gz YQXDQXAHGDQWPD-GJZGRUSLSA-N 2 1 252.402 2.020 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000311319580 376663589 /nfs/dbraw/zinc/66/35/89/376663589.db2.gz BNLOBIONSIJGDX-NWDGAFQWSA-N 2 1 282.350 2.418 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000311319580 376663618 /nfs/dbraw/zinc/66/36/18/376663618.db2.gz BNLOBIONSIJGDX-NWDGAFQWSA-N 2 1 282.350 2.418 20 0 CEADMP CC(C)C[N@@H+](CCOCC[NH3+])[C@@H]1CCCc2cccnc21 ZINC000420383651 376684090 /nfs/dbraw/zinc/68/40/90/376684090.db2.gz ZUEJPCPNBZXRFJ-MRXNPFEDSA-N 2 1 291.439 2.392 20 0 CEADMP Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000312873221 376730958 /nfs/dbraw/zinc/73/09/58/376730958.db2.gz UMVTUWYASMBCPD-OAHLLOKOSA-N 2 1 278.440 2.352 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000312263701 376706700 /nfs/dbraw/zinc/70/67/00/376706700.db2.gz PVBCPWQORWJPLP-NSHDSACASA-N 2 1 254.349 2.264 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cn1 ZINC000560540134 376762678 /nfs/dbraw/zinc/76/26/78/376762678.db2.gz QGWGAELKGBRXNT-ZACQAIPSSA-N 2 1 273.424 2.395 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnn4ccccc34)C2)CC1 ZINC000290412883 376767209 /nfs/dbraw/zinc/76/72/09/376767209.db2.gz KCSCPPVFPJRBHB-MRXNPFEDSA-N 2 1 298.434 2.498 20 0 CEADMP Cc1ccc2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2c1 ZINC000314999130 376790598 /nfs/dbraw/zinc/79/05/98/376790598.db2.gz WGNKYRCPGFKGRK-GASCZTMLSA-N 2 1 284.407 2.074 20 0 CEADMP Cc1cccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000280067677 542117069 /nfs/dbraw/zinc/11/70/69/542117069.db2.gz KUNJFRZFQPQGTN-DUVNUKRYSA-N 2 1 261.413 2.251 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)ccc21 ZINC000290527331 376820576 /nfs/dbraw/zinc/82/05/76/376820576.db2.gz QJNFVEWTFPGBHF-RDJZCZTQSA-N 2 1 298.434 2.489 20 0 CEADMP Cn1cnc2cc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@@H]43)ccc21 ZINC000290527331 376820578 /nfs/dbraw/zinc/82/05/78/376820578.db2.gz QJNFVEWTFPGBHF-RDJZCZTQSA-N 2 1 298.434 2.489 20 0 CEADMP Cn1cnc2cc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)ccc21 ZINC000290527331 376820584 /nfs/dbraw/zinc/82/05/84/376820584.db2.gz QJNFVEWTFPGBHF-RDJZCZTQSA-N 2 1 298.434 2.489 20 0 CEADMP CN(C)c1ncc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000685470650 542147289 /nfs/dbraw/zinc/14/72/89/542147289.db2.gz BTWXEKIGILZXJO-JSGCOSHPSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000685470650 542147290 /nfs/dbraw/zinc/14/72/90/542147290.db2.gz BTWXEKIGILZXJO-JSGCOSHPSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000685470650 542147294 /nfs/dbraw/zinc/14/72/94/542147294.db2.gz BTWXEKIGILZXJO-JSGCOSHPSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000685470650 542147297 /nfs/dbraw/zinc/14/72/97/542147297.db2.gz BTWXEKIGILZXJO-JSGCOSHPSA-N 2 1 294.468 2.125 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422977115 376900302 /nfs/dbraw/zinc/90/03/02/376900302.db2.gz JNEVQYFJCBYPPP-NEPJUHHUSA-N 2 1 271.364 2.482 20 0 CEADMP COc1ccc(OCCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422901313 376857675 /nfs/dbraw/zinc/85/76/75/376857675.db2.gz RXOXHHGSLATYNB-CZUORRHYSA-N 2 1 278.396 2.052 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3cnn(C)c3c2)[C@H](C)C1 ZINC000562280563 376858311 /nfs/dbraw/zinc/85/83/11/376858311.db2.gz AICUAOPKHUZBGA-CJNGLKHVSA-N 2 1 286.423 2.393 20 0 CEADMP N[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422900163 376859196 /nfs/dbraw/zinc/85/91/96/376859196.db2.gz IYQUGWNUOLIDAY-ZWKOTPCHSA-N 2 1 287.451 2.368 20 0 CEADMP Cc1cc(CN2CC[C@@H](Oc3ccncc3)C2)on1 ZINC000328619195 376865137 /nfs/dbraw/zinc/86/51/37/376865137.db2.gz VSMFFEVCDWROME-CYBMUJFWSA-N 2 1 259.309 2.031 20 0 CEADMP CC[C@@H]([NH2+]CCCc1nc(C(C)C)no1)[C@@H]1CCC[NH2+]1 ZINC000422937819 376867942 /nfs/dbraw/zinc/86/79/42/376867942.db2.gz OYOANXFIAPIKCF-OLZOCXBDSA-N 2 1 280.416 2.246 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)n1 ZINC000422942949 376871476 /nfs/dbraw/zinc/87/14/76/376871476.db2.gz XGGJGOFDGRYPNM-CHWSQXEVSA-N 2 1 280.416 2.246 20 0 CEADMP CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422979936 376903146 /nfs/dbraw/zinc/90/31/46/376903146.db2.gz NXNCUMRKJXBRIL-RRFJBIMHSA-N 2 1 256.434 2.294 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000423079226 376971610 /nfs/dbraw/zinc/97/16/10/376971610.db2.gz XTRSDLZKWWJTKX-XBVQOTNRSA-N 2 1 274.408 2.352 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000422986852 376908182 /nfs/dbraw/zinc/90/81/82/376908182.db2.gz DLZOKROJDAQXRP-ZFWWWQNUSA-N 2 1 290.407 2.326 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCC[NH3+])C1 ZINC000422998069 376914789 /nfs/dbraw/zinc/91/47/89/376914789.db2.gz PKJVBBFCDSPCJH-CABCVRRESA-N 3 1 255.450 2.071 20 0 CEADMP CC[C@@H]([NH2+]CCOCc1cccc(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000422997151 376915394 /nfs/dbraw/zinc/91/53/94/376915394.db2.gz AQCHTEJIWLOXJD-SJORKVTESA-N 2 1 292.423 2.332 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1Cl ZINC000423005585 376924617 /nfs/dbraw/zinc/92/46/17/376924617.db2.gz SIBSMAKFNXDZIP-VXGBXAGGSA-N 2 1 254.761 2.188 20 0 CEADMP C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)[C@@H]1CCCC[NH2+]1 ZINC000423018593 376933822 /nfs/dbraw/zinc/93/38/22/376933822.db2.gz ZJBWLIWKWGVZQQ-WFASDCNBSA-N 2 1 274.412 2.017 20 0 CEADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423018368 376934705 /nfs/dbraw/zinc/93/47/05/376934705.db2.gz YSGURIFRQNTUCW-GRDNDAEWSA-N 2 1 276.424 2.461 20 0 CEADMP COc1cccc(Cl)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423071199 376963577 /nfs/dbraw/zinc/96/35/77/376963577.db2.gz OFBKMQHQWSCBKC-ZKYQVNSYSA-N 2 1 298.814 2.191 20 0 CEADMP CC[C@@H](NCC[N@H+](CC)CCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423072293 376963863 /nfs/dbraw/zinc/96/38/63/376963863.db2.gz IZLOYMKHZDTSDV-OLZOCXBDSA-N 2 1 295.393 2.381 20 0 CEADMP CC[C@@H](NCC[N@@H+](CC)CCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423072293 376963872 /nfs/dbraw/zinc/96/38/72/376963872.db2.gz IZLOYMKHZDTSDV-OLZOCXBDSA-N 2 1 295.393 2.381 20 0 CEADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CSc2ccccc21 ZINC000423145035 377043941 /nfs/dbraw/zinc/04/39/41/377043941.db2.gz ITSCFDCQEVACIK-HZSPNIEDSA-N 2 1 292.448 2.233 20 0 CEADMP CSC[C@@H](O)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000562988799 377045518 /nfs/dbraw/zinc/04/55/18/377045518.db2.gz STTOLMZEFNSYIO-ZNMIVQPWSA-N 2 1 288.501 2.058 20 0 CEADMP Cc1ncsc1CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423147382 377047185 /nfs/dbraw/zinc/04/71/85/377047185.db2.gz CMWLSAQAGTUJGL-VIFPVBQESA-N 2 1 262.382 2.152 20 0 CEADMP CC(C)OC(=O)[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C(C)C ZINC000423146813 377047360 /nfs/dbraw/zinc/04/73/60/377047360.db2.gz BBUAHXGMBBSFLD-STQMWFEESA-N 2 1 258.406 2.070 20 0 CEADMP FC1(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCC1 ZINC000423111200 377006239 /nfs/dbraw/zinc/00/62/39/377006239.db2.gz QGKPOFBGSFGIAE-MCIONIFRSA-N 2 1 270.392 2.015 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CN(C)C)c1ccc(F)cc1 ZINC000423115540 377009343 /nfs/dbraw/zinc/00/93/43/377009343.db2.gz YEXZDZMIBFCTNG-YWPYICTPSA-N 2 1 267.392 2.144 20 0 CEADMP C[C@@H]([NH2+]CCC[NH3+])c1ccc(F)cc1OC(F)F ZINC000423193938 377108159 /nfs/dbraw/zinc/10/81/59/377108159.db2.gz RCYRIBOUUOCZEZ-MRVPVSSYSA-N 2 1 262.275 2.427 20 0 CEADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1OC ZINC000423197366 377113623 /nfs/dbraw/zinc/11/36/23/377113623.db2.gz ZCLNEHSAHNNRJZ-UKRRQHHQSA-N 2 1 292.423 2.285 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000423204889 377122166 /nfs/dbraw/zinc/12/21/66/377122166.db2.gz UZMQAPXUTJGSCB-GFCCVEGCSA-N 2 1 250.390 2.258 20 0 CEADMP C[C@H](NCC[N@H+]1CCCC1(C)C)c1c[nH+]ccc1N ZINC000423157635 377059193 /nfs/dbraw/zinc/05/91/93/377059193.db2.gz BIOORQDRDSMMKN-LBPRGKRZSA-N 2 1 262.401 2.019 20 0 CEADMP Cc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])ccn1 ZINC000423160371 377063628 /nfs/dbraw/zinc/06/36/28/377063628.db2.gz QRPDNIGQRLNELM-WMLDXEAASA-N 2 1 269.392 2.438 20 0 CEADMP C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423176262 377084536 /nfs/dbraw/zinc/08/45/36/377084536.db2.gz FYYXCELUGANCOZ-NOLJZWGESA-N 2 1 280.387 2.022 20 0 CEADMP COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000423212945 377129130 /nfs/dbraw/zinc/12/91/30/377129130.db2.gz JHPLZAUVMFSXNH-SDDRHHMPSA-N 2 1 280.368 2.105 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1ccc3c(c1)C[NH2+]CC3)CC[NH2+]CC2 ZINC000563270801 377150739 /nfs/dbraw/zinc/15/07/39/377150739.db2.gz ASEVTAWDEPDCGY-HNNXBMFYSA-N 2 1 299.462 2.296 20 0 CEADMP C[C@H](N[C@H](C[NH3+])C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423274092 377196969 /nfs/dbraw/zinc/19/69/69/377196969.db2.gz JUJCXAQQKZGASX-JCGIZDLHSA-N 2 1 287.451 2.224 20 0 CEADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423275306 377197676 /nfs/dbraw/zinc/19/76/76/377197676.db2.gz LOVIXNJVJAJMAT-CVEARBPZSA-N 2 1 280.387 2.100 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000563348763 377177746 /nfs/dbraw/zinc/17/77/46/377177746.db2.gz AWZKLTVVKJQQBK-RBSFLKMASA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000563348763 377177751 /nfs/dbraw/zinc/17/77/51/377177751.db2.gz AWZKLTVVKJQQBK-RBSFLKMASA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000563348763 377177756 /nfs/dbraw/zinc/17/77/56/377177756.db2.gz AWZKLTVVKJQQBK-RBSFLKMASA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000563348763 377177760 /nfs/dbraw/zinc/17/77/60/377177760.db2.gz AWZKLTVVKJQQBK-RBSFLKMASA-N 2 1 256.434 2.200 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423261343 377178733 /nfs/dbraw/zinc/17/87/33/377178733.db2.gz JSURBOOYUZOBMN-DZGCQCFKSA-N 2 1 283.460 2.131 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(C(=O)OC)cc1 ZINC000423282786 377209669 /nfs/dbraw/zinc/20/96/69/377209669.db2.gz WHVRRRGXTLMGEJ-CABCVRRESA-N 2 1 278.396 2.497 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)ccc1F ZINC000423284444 377211791 /nfs/dbraw/zinc/21/17/91/377211791.db2.gz XYSXYDKUUTWWBF-GXFFZTMASA-N 2 1 254.349 2.468 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H](NCC([NH3+])(CC)CC)[C@@H](C)C1 ZINC000423287290 377216406 /nfs/dbraw/zinc/21/64/06/377216406.db2.gz LGMLQAQCYFNNDA-JKSUJKDBSA-N 2 1 299.503 2.231 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000423290579 377219026 /nfs/dbraw/zinc/21/90/26/377219026.db2.gz DOXJIJQQCBIKKC-RRQGHBQHSA-N 2 1 273.424 2.423 20 0 CEADMP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000423290579 377219032 /nfs/dbraw/zinc/21/90/32/377219032.db2.gz DOXJIJQQCBIKKC-RRQGHBQHSA-N 2 1 273.424 2.423 20 0 CEADMP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000423290579 377219036 /nfs/dbraw/zinc/21/90/36/377219036.db2.gz DOXJIJQQCBIKKC-RRQGHBQHSA-N 2 1 273.424 2.423 20 0 CEADMP C[C@H]([NH3+])c1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423291825 377223190 /nfs/dbraw/zinc/22/31/90/377223190.db2.gz JZNVKBDXIOHWPA-AEZOWIDVSA-N 2 1 259.397 2.079 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000423294952 377223220 /nfs/dbraw/zinc/22/32/20/377223220.db2.gz VVIJWQZHVKAQKM-APHBMKBZSA-N 3 1 261.413 2.456 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000423296861 377225129 /nfs/dbraw/zinc/22/51/29/377225129.db2.gz HUMHZZQEUSJRAL-ZIAGYGMSSA-N 2 1 287.411 2.435 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000423304980 377234975 /nfs/dbraw/zinc/23/49/75/377234975.db2.gz ZUXDZJBOKBSJFZ-SYQHCUMBSA-N 2 1 252.402 2.051 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000563530677 377242398 /nfs/dbraw/zinc/24/23/98/377242398.db2.gz UXDUGSMVZPQJIT-IIAWOOMASA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000563530677 377242407 /nfs/dbraw/zinc/24/24/07/377242407.db2.gz UXDUGSMVZPQJIT-IIAWOOMASA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ncc(Br)cc1F ZINC000423313228 377243541 /nfs/dbraw/zinc/24/35/41/377243541.db2.gz WMMVQQCCYBUKQX-JGVFFNPUSA-N 2 1 290.180 2.229 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423315213 377245446 /nfs/dbraw/zinc/24/54/46/377245446.db2.gz ZDEKXKABRSUAFP-OIBJUYFYSA-N 2 1 258.287 2.276 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)ccc1F ZINC000423315085 377246503 /nfs/dbraw/zinc/24/65/03/377246503.db2.gz IJIPIMUSNSTEOD-RNCFNFMXSA-N 2 1 252.333 2.222 20 0 CEADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423320944 377253392 /nfs/dbraw/zinc/25/33/92/377253392.db2.gz HCPYDXYRWMRKJI-HOTGVXAUSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(-n2cccn2)cc1 ZINC000423334517 377265929 /nfs/dbraw/zinc/26/59/29/377265929.db2.gz WPEFJVNSDHAPGV-BLLLJJGKSA-N 2 1 270.380 2.260 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC[NH2+]C2CCCCCC2)CCO1 ZINC000423276938 377200249 /nfs/dbraw/zinc/20/02/49/377200249.db2.gz NPTGBEZJUOGESY-DZGCQCFKSA-N 2 1 254.418 2.456 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000423277925 377202121 /nfs/dbraw/zinc/20/21/21/377202121.db2.gz QMWXAEZIRJSRTK-FZMZJTMJSA-N 2 1 266.360 2.485 20 0 CEADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)s1 ZINC000423277363 377202166 /nfs/dbraw/zinc/20/21/66/377202166.db2.gz PKMQMHKTVSOQOM-PWSUYJOCSA-N 2 1 285.457 2.274 20 0 CEADMP COc1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000292765544 377271771 /nfs/dbraw/zinc/27/17/71/377271771.db2.gz JWRAJLWDHGGRDQ-KRWDZBQOSA-N 2 1 290.407 2.231 20 0 CEADMP Cc1ccc([C@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000563841333 377303902 /nfs/dbraw/zinc/30/39/02/377303902.db2.gz LPPQWUHNKVQUJK-WMZOPIPTSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccc([C@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000563841333 377303906 /nfs/dbraw/zinc/30/39/06/377303906.db2.gz LPPQWUHNKVQUJK-WMZOPIPTSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccc([C@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000563841333 377303909 /nfs/dbraw/zinc/30/39/09/377303909.db2.gz LPPQWUHNKVQUJK-WMZOPIPTSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccc([C@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000563841333 377303912 /nfs/dbraw/zinc/30/39/12/377303912.db2.gz LPPQWUHNKVQUJK-WMZOPIPTSA-N 2 1 288.435 2.239 20 0 CEADMP CC(C)(C)N1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1=O ZINC000564451619 377394103 /nfs/dbraw/zinc/39/41/03/377394103.db2.gz UZETUTNAFMKMTE-AWEZNQCLSA-N 2 1 295.471 2.238 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000564465716 377395539 /nfs/dbraw/zinc/39/55/39/377395539.db2.gz SEXNSJWHBZWUTF-WCQYABFASA-N 2 1 286.366 2.270 20 0 CEADMP CSC[C@H](O)C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000564077658 377342267 /nfs/dbraw/zinc/34/22/67/377342267.db2.gz MPMWUKVAABWPQZ-GOEBONIOSA-N 2 1 296.480 2.211 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C ZINC000564740374 377445882 /nfs/dbraw/zinc/44/58/82/377445882.db2.gz NUFWNTNYGGJBQA-KRWDZBQOSA-N 2 1 298.434 2.340 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000564740374 377445887 /nfs/dbraw/zinc/44/58/87/377445887.db2.gz NUFWNTNYGGJBQA-KRWDZBQOSA-N 2 1 298.434 2.340 20 0 CEADMP Cc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ncn1 ZINC000428374619 377490736 /nfs/dbraw/zinc/49/07/36/377490736.db2.gz BETYCGUZYBZYJP-PBHICJAKSA-N 2 1 286.423 2.234 20 0 CEADMP Cc1sc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)c(C)c1C ZINC000430658544 377536941 /nfs/dbraw/zinc/53/69/41/377536941.db2.gz XUMHDUYYRGGDPU-UHFFFAOYSA-N 2 1 295.452 2.283 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430949873 377570019 /nfs/dbraw/zinc/57/00/19/377570019.db2.gz PDOGSJSWPYUQMA-BXUZGUMPSA-N 2 1 293.386 2.132 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000565158791 377575226 /nfs/dbraw/zinc/57/52/26/377575226.db2.gz ZDMIVTJCQIWWOF-CZUORRHYSA-N 2 1 282.391 2.455 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000565158791 377575230 /nfs/dbraw/zinc/57/52/30/377575230.db2.gz ZDMIVTJCQIWWOF-CZUORRHYSA-N 2 1 282.391 2.455 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCCOc2ccc(OC)cc2)C1 ZINC000430962341 377575843 /nfs/dbraw/zinc/57/58/43/377575843.db2.gz CKARQFMVPAGIRU-CQSZACIVSA-N 2 1 278.396 2.005 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166713515 542211182 /nfs/dbraw/zinc/21/11/82/542211182.db2.gz PRXLKULUYORYKI-DLBZAZTESA-N 3 1 279.472 2.325 20 0 CEADMP CCCOc1ncccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000565226828 377617365 /nfs/dbraw/zinc/61/73/65/377617365.db2.gz RASBMONSWTVGIX-KGLIPLIRSA-N 2 1 263.385 2.230 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCOCC2CCCC2)CC[N@H+]1C ZINC000313252964 249392734 /nfs/dbraw/zinc/39/27/34/249392734.db2.gz MFYQVYZAHUBAPM-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)CC[N@@H+]1C ZINC000293651398 377679165 /nfs/dbraw/zinc/67/91/65/377679165.db2.gz LIDRWZCTLXQRLM-KFWWJZLASA-N 2 1 291.414 2.477 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)CC[N@H+]1C ZINC000293651398 377679169 /nfs/dbraw/zinc/67/91/69/377679169.db2.gz LIDRWZCTLXQRLM-KFWWJZLASA-N 2 1 291.414 2.477 20 0 CEADMP COC1(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCCCC1 ZINC000432347423 377748551 /nfs/dbraw/zinc/74/85/51/377748551.db2.gz NGHQWJVLICJVBP-MRXNPFEDSA-N 2 1 298.471 2.426 20 0 CEADMP COC[C@@H](CC(C)C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432409612 377757328 /nfs/dbraw/zinc/75/73/28/377757328.db2.gz HJKICRUXAQZXQH-JKSUJKDBSA-N 2 1 286.460 2.138 20 0 CEADMP C[C@@H]1SCC[N@@H+](CCCc2cncn2C)[C@H]1C ZINC000566922592 377784905 /nfs/dbraw/zinc/78/49/05/377784905.db2.gz TXZPIPQNJCDEEL-RYUDHWBXSA-N 2 1 253.415 2.179 20 0 CEADMP C[C@@H](C[NH2+]CC[C@@H]1CCOC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000438086010 377880782 /nfs/dbraw/zinc/88/07/82/377880782.db2.gz QYMJQUYBCVJOJZ-QLFBSQMISA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H](C[NH2+]CC[C@@H]1CCOC1)[N@H+]1CCC[C@@H](C)C1 ZINC000438086010 377880788 /nfs/dbraw/zinc/88/07/88/377880788.db2.gz QYMJQUYBCVJOJZ-QLFBSQMISA-N 2 1 254.418 2.123 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000438113320 377888518 /nfs/dbraw/zinc/88/85/18/377888518.db2.gz JYCSZGHVJRZEDP-CABCVRRESA-N 2 1 254.418 2.077 20 0 CEADMP COCCOc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000442917368 378017690 /nfs/dbraw/zinc/01/76/90/378017690.db2.gz AHQOTHFIXNENTG-HNNXBMFYSA-N 2 1 292.423 2.273 20 0 CEADMP CN(CC[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443063274 378032063 /nfs/dbraw/zinc/03/20/63/378032063.db2.gz WGXURGPQXYALDD-HNNXBMFYSA-N 2 1 261.413 2.184 20 0 CEADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443071965 378035258 /nfs/dbraw/zinc/03/52/58/378035258.db2.gz NDUYUTDMYXZDRD-OWCLPIDISA-N 2 1 295.471 2.084 20 0 CEADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](C)[C@H](C)C2)C[C@H]1C ZINC000447300233 378099966 /nfs/dbraw/zinc/09/99/66/378099966.db2.gz WPUPZNZJLJNODO-ZHCJQAHYSA-N 2 1 282.472 2.303 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](C)[C@H](C)C2)C[C@H]1C ZINC000447300233 378099971 /nfs/dbraw/zinc/09/99/71/378099971.db2.gz WPUPZNZJLJNODO-ZHCJQAHYSA-N 2 1 282.472 2.303 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CC[C@H](C)[C@H](C)C2)C[C@H]1C ZINC000447300233 378099975 /nfs/dbraw/zinc/09/99/75/378099975.db2.gz WPUPZNZJLJNODO-ZHCJQAHYSA-N 2 1 282.472 2.303 20 0 CEADMP C[N@H+](CCCO)C1CC[NH+](CC2=CCCCC2)CC1 ZINC000450407980 378399978 /nfs/dbraw/zinc/39/99/78/378399978.db2.gz IOEYBOXEUKOTHI-UHFFFAOYSA-N 2 1 266.429 2.265 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](CC2=CCCCC2)CC1 ZINC000450407980 378399982 /nfs/dbraw/zinc/39/99/82/378399982.db2.gz IOEYBOXEUKOTHI-UHFFFAOYSA-N 2 1 266.429 2.265 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000296189400 378447100 /nfs/dbraw/zinc/44/71/00/378447100.db2.gz YNMWLTBIOPRNAI-LBPRGKRZSA-N 2 1 261.373 2.149 20 0 CEADMP CCn1ccnc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000296189399 378447166 /nfs/dbraw/zinc/44/71/66/378447166.db2.gz YNMWLTBIOPRNAI-GFCCVEGCSA-N 2 1 261.373 2.149 20 0 CEADMP Cc1cnccc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000296210349 378455019 /nfs/dbraw/zinc/45/50/19/378455019.db2.gz ZRVLBSAHNXHJRP-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cnccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000296210349 378455024 /nfs/dbraw/zinc/45/50/24/378455024.db2.gz ZRVLBSAHNXHJRP-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cnccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000296210349 378455032 /nfs/dbraw/zinc/45/50/32/378455032.db2.gz ZRVLBSAHNXHJRP-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP C[C@@H]1[C@H](C)N(CC[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000450655481 378522130 /nfs/dbraw/zinc/52/21/30/378522130.db2.gz SVRZJONFAUUWFJ-CVEARBPZSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@@H]1[C@H](C)N(CC[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000450655481 378522138 /nfs/dbraw/zinc/52/21/38/378522138.db2.gz SVRZJONFAUUWFJ-CVEARBPZSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@@H]1[C@H](C)N(CC[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000450655481 378522142 /nfs/dbraw/zinc/52/21/42/378522142.db2.gz SVRZJONFAUUWFJ-CVEARBPZSA-N 2 1 275.440 2.143 20 0 CEADMP Cc1ccc2[nH+]ccc(NC[C@H]3CCC[N@H+]3CCCO)c2c1 ZINC000450599251 378492210 /nfs/dbraw/zinc/49/22/10/378492210.db2.gz SJZOVGXCLMQNNX-OAHLLOKOSA-N 2 1 299.418 2.224 20 0 CEADMP CCC[C@H](O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450646336 378516480 /nfs/dbraw/zinc/51/64/80/378516480.db2.gz VJXBVUNOMOMVEQ-KRWDZBQOSA-N 2 1 291.439 2.391 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccccc2)[C@@H](C)C1 ZINC000266117935 190232087 /nfs/dbraw/zinc/23/20/87/190232087.db2.gz OKUAUJVUEYPOKX-XIRDDKMYSA-N 2 1 276.424 2.214 20 0 CEADMP COCCN1CCC([NH2+]Cc2cccc(C)c2F)CC1 ZINC000296523602 378562634 /nfs/dbraw/zinc/56/26/34/378562634.db2.gz SESWAIXYDGRXJR-UHFFFAOYSA-N 2 1 280.387 2.335 20 0 CEADMP NC(=O)c1cccc(C[N@@H+](CCCn2ccnc2)C2CC2)c1 ZINC000296646626 378603112 /nfs/dbraw/zinc/60/31/12/378603112.db2.gz IRWHBJMASPOIOW-UHFFFAOYSA-N 2 1 298.390 2.037 20 0 CEADMP CC[C@@H](C)[N@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000451032722 378682783 /nfs/dbraw/zinc/68/27/83/378682783.db2.gz ZJUNDDKMZLUYHU-OLZOCXBDSA-N 2 1 263.385 2.399 20 0 CEADMP C[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)CC[NH+](C2CC2)C1 ZINC000451080620 378703019 /nfs/dbraw/zinc/70/30/19/378703019.db2.gz KSCMZZOERRLQIJ-HZPDHXFCSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@@H+](C2CC2)C1 ZINC000451080620 378703021 /nfs/dbraw/zinc/70/30/21/378703021.db2.gz KSCMZZOERRLQIJ-HZPDHXFCSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@H+](C2CC2)C1 ZINC000451080620 378703024 /nfs/dbraw/zinc/70/30/24/378703024.db2.gz KSCMZZOERRLQIJ-HZPDHXFCSA-N 2 1 279.472 2.277 20 0 CEADMP CN(CC[N@@H+](C)C1CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000298427640 378723651 /nfs/dbraw/zinc/72/36/51/378723651.db2.gz MUYBRSHSZXCIKT-GOSISDBHSA-N 2 1 287.451 2.287 20 0 CEADMP CN(CC[NH+](C)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000298427640 378723660 /nfs/dbraw/zinc/72/36/60/378723660.db2.gz MUYBRSHSZXCIKT-GOSISDBHSA-N 2 1 287.451 2.287 20 0 CEADMP CN(CC[NH+](C)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000298427640 378723663 /nfs/dbraw/zinc/72/36/63/378723663.db2.gz MUYBRSHSZXCIKT-GOSISDBHSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453105885 378805577 /nfs/dbraw/zinc/80/55/77/378805577.db2.gz IDBOQZNQSPXYLB-GOSISDBHSA-N 2 1 293.499 2.428 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)c2sccc21 ZINC000453201001 378827592 /nfs/dbraw/zinc/82/75/92/378827592.db2.gz RVXITGOYBNNFHD-KYOSRNDESA-N 2 1 280.437 2.343 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c2sccc21 ZINC000453201001 378827596 /nfs/dbraw/zinc/82/75/96/378827596.db2.gz RVXITGOYBNNFHD-KYOSRNDESA-N 2 1 280.437 2.343 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCOC2)[C@@H](C)C1 ZINC000346855079 218037294 /nfs/dbraw/zinc/03/72/94/218037294.db2.gz BRWKSHOSMSJVQC-ULQDDVLXSA-N 2 1 298.471 2.140 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c[nH]nc43)C[C@@H]21 ZINC000346853073 218038054 /nfs/dbraw/zinc/03/80/54/218038054.db2.gz XPLYQYCUQOEKNQ-VHDGCEQUSA-N 2 1 270.380 2.122 20 0 CEADMP CCc1cnc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000346858700 218039510 /nfs/dbraw/zinc/03/95/10/218039510.db2.gz YHXNLWIILVJGTE-UHTWSYAYSA-N 2 1 265.426 2.265 20 0 CEADMP CCc1cnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000346858700 218039511 /nfs/dbraw/zinc/03/95/11/218039511.db2.gz YHXNLWIILVJGTE-UHTWSYAYSA-N 2 1 265.426 2.265 20 0 CEADMP CC[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@H]1CCOC1 ZINC000453399330 378887179 /nfs/dbraw/zinc/88/71/79/378887179.db2.gz NQJJUTLEAIQTEA-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@H]1CCOC1 ZINC000453399330 378887180 /nfs/dbraw/zinc/88/71/80/378887180.db2.gz NQJJUTLEAIQTEA-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000453413920 378894742 /nfs/dbraw/zinc/89/47/42/378894742.db2.gz WUNQYQRSHLDHMG-GOEBONIOSA-N 3 1 265.445 2.077 20 0 CEADMP C[NH+](CCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000453413920 378894743 /nfs/dbraw/zinc/89/47/43/378894743.db2.gz WUNQYQRSHLDHMG-GOEBONIOSA-N 3 1 265.445 2.077 20 0 CEADMP C[NH+](CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000453413920 378894746 /nfs/dbraw/zinc/89/47/46/378894746.db2.gz WUNQYQRSHLDHMG-GOEBONIOSA-N 3 1 265.445 2.077 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)nc1 ZINC000453424851 378901424 /nfs/dbraw/zinc/90/14/24/378901424.db2.gz MYSGJCBPGGLQFP-SQWLQELKSA-N 2 1 261.413 2.251 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC2CCC2)[C@@H](C)C1 ZINC000346971855 218073888 /nfs/dbraw/zinc/07/38/88/218073888.db2.gz BMNSAEAGVBLMNG-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC2CCC2)[C@@H](C)C1 ZINC000346971855 218073890 /nfs/dbraw/zinc/07/38/90/218073890.db2.gz BMNSAEAGVBLMNG-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC2CCC2)[C@@H](C)C1 ZINC000346971855 218073893 /nfs/dbraw/zinc/07/38/93/218073893.db2.gz BMNSAEAGVBLMNG-ZFWWWQNUSA-N 2 1 254.418 2.218 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000346998513 218085281 /nfs/dbraw/zinc/08/52/81/218085281.db2.gz DBTLPWKZGZUMAK-GXTWGEPZSA-N 2 1 278.396 2.263 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000346998513 218085282 /nfs/dbraw/zinc/08/52/82/218085282.db2.gz DBTLPWKZGZUMAK-GXTWGEPZSA-N 2 1 278.396 2.263 20 0 CEADMP CN(C)c1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000346997190 218085705 /nfs/dbraw/zinc/08/57/05/218085705.db2.gz CMOGAEFVJOOOTN-XYPWUTKMSA-N 2 1 273.424 2.467 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000347037658 218100337 /nfs/dbraw/zinc/10/03/37/218100337.db2.gz HPWWPXJSIMERNB-OCCSQVGLSA-N 2 1 264.417 2.197 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000347037658 218100338 /nfs/dbraw/zinc/10/03/38/218100338.db2.gz HPWWPXJSIMERNB-OCCSQVGLSA-N 2 1 264.417 2.197 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000347037668 218100810 /nfs/dbraw/zinc/10/08/10/218100810.db2.gz HPWWPXJSIMERNB-TZMCWYRMSA-N 2 1 264.417 2.197 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000347037668 218100811 /nfs/dbraw/zinc/10/08/11/218100811.db2.gz HPWWPXJSIMERNB-TZMCWYRMSA-N 2 1 264.417 2.197 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000347046534 218104934 /nfs/dbraw/zinc/10/49/34/218104934.db2.gz OOWUBJWWVWROFM-GXFZAYBSSA-N 2 1 252.308 2.259 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000347046534 218104936 /nfs/dbraw/zinc/10/49/36/218104936.db2.gz OOWUBJWWVWROFM-GXFZAYBSSA-N 2 1 252.308 2.259 20 0 CEADMP CCc1cnc(C[NH+]2CCC(C[NH2+]C)CC2)s1 ZINC000347025016 218096886 /nfs/dbraw/zinc/09/68/86/218096886.db2.gz RVWBMKDLFSTJMW-UHFFFAOYSA-N 2 1 253.415 2.137 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(CC(F)(F)F)c2)C1 ZINC000347073760 218113974 /nfs/dbraw/zinc/11/39/74/218113974.db2.gz SMCGLCXHVDQJLF-JQWIXIFHSA-N 2 1 290.333 2.005 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(CC(F)(F)F)c2)C1 ZINC000347073760 218113975 /nfs/dbraw/zinc/11/39/75/218113975.db2.gz SMCGLCXHVDQJLF-JQWIXIFHSA-N 2 1 290.333 2.005 20 0 CEADMP CCC[N@H+](Cc1cnn(C(C)C)c1)C1CC[NH2+]CC1 ZINC000347096023 218120053 /nfs/dbraw/zinc/12/00/53/218120053.db2.gz IAOUVSATFOROMG-UHFFFAOYSA-N 2 1 264.417 2.428 20 0 CEADMP CCC[N@@H+](Cc1cnn(C(C)C)c1)C1CC[NH2+]CC1 ZINC000347096023 218120056 /nfs/dbraw/zinc/12/00/56/218120056.db2.gz IAOUVSATFOROMG-UHFFFAOYSA-N 2 1 264.417 2.428 20 0 CEADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)n1 ZINC000347061182 218110863 /nfs/dbraw/zinc/11/08/63/218110863.db2.gz YOBJDXGVEGCZDQ-GXTWGEPZSA-N 2 1 277.412 2.266 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2csc(C)n2)[C@@H](C)C1 ZINC000347121178 218130109 /nfs/dbraw/zinc/13/01/09/218130109.db2.gz CQHOSEIWFWGODZ-FZMZJTMJSA-N 2 1 267.442 2.314 20 0 CEADMP C[C@H](CO)[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCCC1 ZINC000347247508 218169494 /nfs/dbraw/zinc/16/94/94/218169494.db2.gz KSLROCLUKBGHGQ-ZIAGYGMSSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](CO)[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000347247508 218169496 /nfs/dbraw/zinc/16/94/96/218169496.db2.gz KSLROCLUKBGHGQ-ZIAGYGMSSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](CO)[NH+](CC[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC000347247508 218169498 /nfs/dbraw/zinc/16/94/98/218169498.db2.gz KSLROCLUKBGHGQ-ZIAGYGMSSA-N 2 1 254.418 2.096 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cn1 ZINC000347311239 218186736 /nfs/dbraw/zinc/18/67/36/218186736.db2.gz LZTNGFOZHHDDSS-QWHCGFSZSA-N 2 1 252.406 2.455 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)CCc2ccccc2)CC1 ZINC000347435126 218233294 /nfs/dbraw/zinc/23/32/94/218233294.db2.gz ITQWZOUSBAJVEA-GOSISDBHSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)CCc2ccccc2)CC1 ZINC000347435126 218233297 /nfs/dbraw/zinc/23/32/97/218233297.db2.gz ITQWZOUSBAJVEA-GOSISDBHSA-N 2 1 290.451 2.396 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000513053405 379123831 /nfs/dbraw/zinc/12/38/31/379123831.db2.gz YSAMWZDFBGCQLL-FXUDXRNXSA-N 2 1 296.455 2.428 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000513053405 379123838 /nfs/dbraw/zinc/12/38/38/379123838.db2.gz YSAMWZDFBGCQLL-FXUDXRNXSA-N 2 1 296.455 2.428 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000300668336 379179314 /nfs/dbraw/zinc/17/93/14/379179314.db2.gz NPJSXSMTYZCHSR-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000300668336 379179317 /nfs/dbraw/zinc/17/93/17/379179317.db2.gz NPJSXSMTYZCHSR-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266540387 190265599 /nfs/dbraw/zinc/26/55/99/190265599.db2.gz IFQPHFKROBIZPI-SJORKVTESA-N 2 1 276.424 2.211 20 0 CEADMP CC[C@H](O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266540387 190265600 /nfs/dbraw/zinc/26/56/00/190265600.db2.gz IFQPHFKROBIZPI-SJORKVTESA-N 2 1 276.424 2.211 20 0 CEADMP CC[C@H](O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266540387 190265601 /nfs/dbraw/zinc/26/56/01/190265601.db2.gz IFQPHFKROBIZPI-SJORKVTESA-N 2 1 276.424 2.211 20 0 CEADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000519382473 379410008 /nfs/dbraw/zinc/41/00/08/379410008.db2.gz DIJGZQDFGRFFQM-BJJXKVORSA-N 2 1 280.387 2.491 20 0 CEADMP CC[C@@H](C(=O)N1CC[N@H+](CC)C[C@@H]1CC)[NH+](CC)CC ZINC000456368159 379410146 /nfs/dbraw/zinc/41/01/46/379410146.db2.gz DVZHVTJSOHBBLU-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP CC[C@@H](C(=O)N1CC[N@@H+](CC)C[C@@H]1CC)[NH+](CC)CC ZINC000456368159 379410150 /nfs/dbraw/zinc/41/01/50/379410150.db2.gz DVZHVTJSOHBBLU-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CC1(C)COC1 ZINC001167826152 804385118 /nfs/dbraw/zinc/38/51/18/804385118.db2.gz NFMXZSNEHUODRX-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP CCn1ccnc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000520660586 379497560 /nfs/dbraw/zinc/49/75/60/379497560.db2.gz YYWVAMPRIGHZCW-OAHLLOKOSA-N 2 1 276.428 2.067 20 0 CEADMP CC[C@@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000181123657 542270403 /nfs/dbraw/zinc/27/04/03/542270403.db2.gz AQPUMGQGJLQIHR-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000305218868 379687251 /nfs/dbraw/zinc/68/72/51/379687251.db2.gz KFPATMUJNXOGNM-GOSISDBHSA-N 2 1 299.418 2.151 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H]1CC=CCC1 ZINC000305219124 379688934 /nfs/dbraw/zinc/68/89/34/379688934.db2.gz UPHKRMXDTCBYEL-CVEARBPZSA-N 2 1 266.429 2.169 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000457136247 379682663 /nfs/dbraw/zinc/68/26/63/379682663.db2.gz WQNPNDUQDHKLTL-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)(CO)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305355290 379709362 /nfs/dbraw/zinc/70/93/62/379709362.db2.gz RUSHSDJCUWLPJB-UONOGXRCSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCOC2)[C@H]2CCC[C@@H]21 ZINC000527925236 379847980 /nfs/dbraw/zinc/84/79/80/379847980.db2.gz LVRQQGJQRZCPNN-FZKCQIBNSA-N 2 1 266.429 2.266 20 0 CEADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527805330 379819528 /nfs/dbraw/zinc/81/95/28/379819528.db2.gz CTDIARVUZOOHNV-KEYYUXOJSA-N 2 1 299.418 2.030 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(CO)ccc2F)[C@H](C)C1 ZINC000528414789 379965038 /nfs/dbraw/zinc/96/50/38/379965038.db2.gz HGOOAKUVJBEHPR-CXAGYDPISA-N 2 1 294.414 2.480 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c4cccnc34)C[C@@H]2C1 ZINC000488735695 380124687 /nfs/dbraw/zinc/12/46/87/380124687.db2.gz SXSURISCTKUDCM-OKILXGFUSA-N 2 1 285.366 2.367 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c4cccnc34)C[C@@H]2C1 ZINC000488735695 380124690 /nfs/dbraw/zinc/12/46/90/380124690.db2.gz SXSURISCTKUDCM-OKILXGFUSA-N 2 1 285.366 2.367 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)c4cccnc34)C[C@@H]2C1 ZINC000488735695 380124697 /nfs/dbraw/zinc/12/46/97/380124697.db2.gz SXSURISCTKUDCM-OKILXGFUSA-N 2 1 285.366 2.367 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(F)c4cccnc34)C[C@@H]2C1 ZINC000488735695 380124704 /nfs/dbraw/zinc/12/47/04/380124704.db2.gz SXSURISCTKUDCM-OKILXGFUSA-N 2 1 285.366 2.367 20 0 CEADMP Cc1cc[nH+]c(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000268293299 190393186 /nfs/dbraw/zinc/39/31/86/190393186.db2.gz FCBIRELYSKMWJR-QGZVFWFLSA-N 2 1 297.402 2.221 20 0 CEADMP Cc1cc[nH+]c(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000268293299 190393187 /nfs/dbraw/zinc/39/31/87/190393187.db2.gz FCBIRELYSKMWJR-QGZVFWFLSA-N 2 1 297.402 2.221 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccnc(C)c2)C[C@@H]1C ZINC000334381994 380333015 /nfs/dbraw/zinc/33/30/15/380333015.db2.gz KBNJMDILIBFEKH-ZFWWWQNUSA-N 2 1 290.411 2.148 20 0 CEADMP C[C@@H]1CCCCN1C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352487449 296308106 /nfs/dbraw/zinc/30/81/06/296308106.db2.gz FDRHANLVQQLDSW-OAHLLOKOSA-N 2 1 295.471 2.228 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@]2(O)CCN(C)C2)c2ccsc2S1 ZINC000545868676 380391304 /nfs/dbraw/zinc/39/13/04/380391304.db2.gz XZGABSXIXNCVBY-ZKYQVNSYSA-N 2 1 298.477 2.330 20 0 CEADMP Cn1cnc2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)ccc21 ZINC000334453299 380433329 /nfs/dbraw/zinc/43/33/29/380433329.db2.gz LXEGLZSEEPLGQX-GOSISDBHSA-N 2 1 298.434 2.491 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)ccc21 ZINC000334453299 380433334 /nfs/dbraw/zinc/43/33/34/380433334.db2.gz LXEGLZSEEPLGQX-GOSISDBHSA-N 2 1 298.434 2.491 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)ccc21 ZINC000334453299 380433341 /nfs/dbraw/zinc/43/33/41/380433341.db2.gz LXEGLZSEEPLGQX-GOSISDBHSA-N 2 1 298.434 2.491 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)ccc21 ZINC000334453299 380433347 /nfs/dbraw/zinc/43/33/47/380433347.db2.gz LXEGLZSEEPLGQX-GOSISDBHSA-N 2 1 298.434 2.491 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000547397366 380437883 /nfs/dbraw/zinc/43/78/83/380437883.db2.gz PKUGIPRFPHWZPX-HNNXBMFYSA-N 2 1 274.343 2.238 20 0 CEADMP Cn1cncc1CCN1CCc2c(F)cc(F)cc2C1 ZINC000334553739 380581249 /nfs/dbraw/zinc/58/12/49/380581249.db2.gz CEOYIUZBGSSHFX-UHFFFAOYSA-N 2 1 277.318 2.299 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000279168915 194314857 /nfs/dbraw/zinc/31/48/57/194314857.db2.gz CAODHTHBYVKPFZ-AWEZNQCLSA-N 2 1 286.778 2.196 20 0 CEADMP CCCN(CCC[NH+](C)C)c1cc(C)[nH+]c(C)n1 ZINC000190400064 542336477 /nfs/dbraw/zinc/33/64/77/542336477.db2.gz HDJFGXCVJCIWJT-UHFFFAOYSA-N 2 1 250.390 2.262 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000045692019 542343199 /nfs/dbraw/zinc/34/31/99/542343199.db2.gz MQYSOEYLIVYNBV-UONOGXRCSA-N 3 1 255.450 2.037 20 0 CEADMP CC1CC[NH+](CC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000335340869 208231734 /nfs/dbraw/zinc/23/17/34/208231734.db2.gz ZKKCBVFIDJQSRQ-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCCC[C@@H]1C ZINC000351637913 285081543 /nfs/dbraw/zinc/08/15/43/285081543.db2.gz WLFOXVWMMUINAY-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCCC[C@@H]1C ZINC000351637913 285081544 /nfs/dbraw/zinc/08/15/44/285081544.db2.gz WLFOXVWMMUINAY-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCCC[C@@H]1C ZINC000351637913 285081545 /nfs/dbraw/zinc/08/15/45/285081545.db2.gz WLFOXVWMMUINAY-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCCC[C@@H]1C ZINC000351637913 285081546 /nfs/dbraw/zinc/08/15/46/285081546.db2.gz WLFOXVWMMUINAY-NUEKZKHPSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289411897 197333995 /nfs/dbraw/zinc/33/39/95/197333995.db2.gz HYGYUNVSLFRZEY-WBAXXEDZSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000289182972 197255958 /nfs/dbraw/zinc/25/59/58/197255958.db2.gz APFADHLRIROWQU-ZTFGCOKTSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000289182972 197255960 /nfs/dbraw/zinc/25/59/60/197255960.db2.gz APFADHLRIROWQU-ZTFGCOKTSA-N 2 1 288.435 2.400 20 0 CEADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[NH+](C)C ZINC000281256589 195169819 /nfs/dbraw/zinc/16/98/19/195169819.db2.gz OHXPPWWVRJNNKK-CQSZACIVSA-N 2 1 266.360 2.363 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)c1ccccc1 ZINC000281296149 195185045 /nfs/dbraw/zinc/18/50/45/195185045.db2.gz JNSMRDJKUURJCI-MRXNPFEDSA-N 2 1 262.397 2.138 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)c1ccccc1 ZINC000281296149 195185047 /nfs/dbraw/zinc/18/50/47/195185047.db2.gz JNSMRDJKUURJCI-MRXNPFEDSA-N 2 1 262.397 2.138 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@H]([NH+](C)C)CC1 ZINC000281395118 195223529 /nfs/dbraw/zinc/22/35/29/195223529.db2.gz GNUVHKXZUBCWJT-ZDUSSCGKSA-N 2 1 291.395 2.179 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000179610680 260058350 /nfs/dbraw/zinc/05/83/50/260058350.db2.gz HCSWZKDLYPIWOJ-CYBMUJFWSA-N 2 1 283.460 2.001 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000179610680 260058352 /nfs/dbraw/zinc/05/83/52/260058352.db2.gz HCSWZKDLYPIWOJ-CYBMUJFWSA-N 2 1 283.460 2.001 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)[C@H](C)C1 ZINC000346471749 285385068 /nfs/dbraw/zinc/38/50/68/285385068.db2.gz BDXZPKWMEMPDPC-WCVJEAGWSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)[C@H](C)C1 ZINC000346471749 285385070 /nfs/dbraw/zinc/38/50/70/285385070.db2.gz BDXZPKWMEMPDPC-WCVJEAGWSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)[C@H](C)C1 ZINC000346471749 285385072 /nfs/dbraw/zinc/38/50/72/285385072.db2.gz BDXZPKWMEMPDPC-WCVJEAGWSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)CC[N@H+]1C ZINC000357881787 533641413 /nfs/dbraw/zinc/64/14/13/533641413.db2.gz RZGIDCQBCCGVQX-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)Cn1cc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000366749858 130072394 /nfs/dbraw/zinc/07/23/94/130072394.db2.gz HRHWCHNNXFENKX-CQSZACIVSA-N 2 1 287.411 2.088 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000221927498 394462671 /nfs/dbraw/zinc/46/26/71/394462671.db2.gz BFRVULJQCDYLCG-CQSZACIVSA-N 2 1 264.417 2.117 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000221927498 394462676 /nfs/dbraw/zinc/46/26/76/394462676.db2.gz BFRVULJQCDYLCG-CQSZACIVSA-N 2 1 264.417 2.117 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000224413931 394466262 /nfs/dbraw/zinc/46/62/62/394466262.db2.gz ZPHQCIMYZXIRIA-RRFJBIMHSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000224413931 394466267 /nfs/dbraw/zinc/46/62/67/394466267.db2.gz ZPHQCIMYZXIRIA-RRFJBIMHSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000224413931 394466269 /nfs/dbraw/zinc/46/62/69/394466269.db2.gz ZPHQCIMYZXIRIA-RRFJBIMHSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[N@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000037539161 394497150 /nfs/dbraw/zinc/49/71/50/394497150.db2.gz NSVRWBFLWXBIAF-HOCLYGCPSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[N@@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000037539161 394497153 /nfs/dbraw/zinc/49/71/53/394497153.db2.gz NSVRWBFLWXBIAF-HOCLYGCPSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH2+]CC2=CC[N@@H+](C)CC2)CCO1 ZINC000355686789 394502276 /nfs/dbraw/zinc/50/22/76/394502276.db2.gz VNLFRKKMBQDVNC-LSDHHAIUSA-N 2 1 252.402 2.043 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000305734319 394510785 /nfs/dbraw/zinc/51/07/85/394510785.db2.gz WJHAFRNNCFRIOT-JCGIZDLHSA-N 2 1 288.435 2.308 20 0 CEADMP C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C[NH+]1CCCCC1 ZINC000250868554 394565468 /nfs/dbraw/zinc/56/54/68/394565468.db2.gz RZGHMRNJHPDKDL-BRWVUGGUSA-N 3 1 279.472 2.373 20 0 CEADMP CC[NH+]1CCC(N(C)C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000413334385 394529109 /nfs/dbraw/zinc/52/91/09/394529109.db2.gz VXNMSTLKZAMYLM-QLFBSQMISA-N 2 1 295.471 2.190 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000309997671 394534165 /nfs/dbraw/zinc/53/41/65/394534165.db2.gz CFKAXIOEUZFVPL-ZBFHGGJFSA-N 2 1 262.397 2.262 20 0 CEADMP COCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309981195 394534366 /nfs/dbraw/zinc/53/43/66/394534366.db2.gz VAOKXDPERDZVLX-IRXDYDNUSA-N 2 1 274.408 2.087 20 0 CEADMP COCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309981195 394534368 /nfs/dbraw/zinc/53/43/68/394534368.db2.gz VAOKXDPERDZVLX-IRXDYDNUSA-N 2 1 274.408 2.087 20 0 CEADMP COCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309981195 394534371 /nfs/dbraw/zinc/53/43/71/394534371.db2.gz VAOKXDPERDZVLX-IRXDYDNUSA-N 2 1 274.408 2.087 20 0 CEADMP COCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309981184 394534416 /nfs/dbraw/zinc/53/44/16/394534416.db2.gz VAOKXDPERDZVLX-DLBZAZTESA-N 2 1 274.408 2.087 20 0 CEADMP COCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309981184 394534420 /nfs/dbraw/zinc/53/44/20/394534420.db2.gz VAOKXDPERDZVLX-DLBZAZTESA-N 2 1 274.408 2.087 20 0 CEADMP COCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309981184 394534423 /nfs/dbraw/zinc/53/44/23/394534423.db2.gz VAOKXDPERDZVLX-DLBZAZTESA-N 2 1 274.408 2.087 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422020146 394657468 /nfs/dbraw/zinc/65/74/68/394657468.db2.gz LGMZETOXOREJNI-MRXNPFEDSA-N 2 1 297.487 2.441 20 0 CEADMP Cc1ncsc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257727612 394597301 /nfs/dbraw/zinc/59/73/01/394597301.db2.gz WPMRKPIFRXRUTK-CYBMUJFWSA-N 2 1 251.399 2.027 20 0 CEADMP Cc1ncsc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257727612 394597307 /nfs/dbraw/zinc/59/73/07/394597307.db2.gz WPMRKPIFRXRUTK-CYBMUJFWSA-N 2 1 251.399 2.027 20 0 CEADMP C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@H]1CCCCO1 ZINC000257731740 394597434 /nfs/dbraw/zinc/59/74/34/394597434.db2.gz XHOFRVVCJSTQDY-CQSZACIVSA-N 2 1 252.402 2.021 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)C1(OC)CCCCC1 ZINC000421820880 394605852 /nfs/dbraw/zinc/60/58/52/394605852.db2.gz OFLVGPOAZVFWCV-OAHLLOKOSA-N 2 1 286.460 2.282 20 0 CEADMP C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261930560 394609266 /nfs/dbraw/zinc/60/92/66/394609266.db2.gz LMMPYUFIUUZWSJ-CJNGLKHVSA-N 2 1 259.397 2.464 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCOC2)CC1 ZINC000356863687 394634599 /nfs/dbraw/zinc/63/45/99/394634599.db2.gz BNAZIYQOPFEWFT-CVEARBPZSA-N 2 1 298.471 2.281 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC2)[C@@H](C)C1 ZINC000356879460 394641129 /nfs/dbraw/zinc/64/11/29/394641129.db2.gz TYAUURGRLOLSNC-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[N@@H+](C)C1CCCC1 ZINC000422736261 394748604 /nfs/dbraw/zinc/74/86/04/394748604.db2.gz GCQZWKZHEZDDGD-ZDUSSCGKSA-N 2 1 290.455 2.374 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCN(C)C1CCCC1 ZINC000422736261 394748607 /nfs/dbraw/zinc/74/86/07/394748607.db2.gz GCQZWKZHEZDDGD-ZDUSSCGKSA-N 2 1 290.455 2.374 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422712352 394733903 /nfs/dbraw/zinc/73/39/03/394733903.db2.gz OAKSMUHQJIXSAX-HZPDHXFCSA-N 3 1 269.477 2.476 20 0 CEADMP C[C@H](NCCCCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422716471 394736987 /nfs/dbraw/zinc/73/69/87/394736987.db2.gz NFHJTRLAELCXRY-HOTGVXAUSA-N 2 1 267.461 2.373 20 0 CEADMP CO[C@](C)([C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000414241388 394737539 /nfs/dbraw/zinc/73/75/39/394737539.db2.gz OOUDNNGKHBPAGX-BLLLJJGKSA-N 2 1 266.429 2.406 20 0 CEADMP CCC(CC)C(=O)N1CCC([NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422724879 394741231 /nfs/dbraw/zinc/74/12/31/394741231.db2.gz WWTQZMNXBMRYIA-CJNGLKHVSA-N 2 1 295.471 2.001 20 0 CEADMP CC1CCC([N@@H+](CCC[NH3+])C[C@H]2CCCO2)CC1 ZINC000414698297 394749306 /nfs/dbraw/zinc/74/93/06/394749306.db2.gz IZKVNUXRGNTXJN-YMAMQOFZSA-N 2 1 254.418 2.395 20 0 CEADMP C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000359209447 394744196 /nfs/dbraw/zinc/74/41/96/394744196.db2.gz KMVBGFNKQBTIBC-KRWDZBQOSA-N 3 1 279.472 2.326 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)[C@@H]1CC1(C)C ZINC000414068982 394692704 /nfs/dbraw/zinc/69/27/04/394692704.db2.gz RDCJFOCJJLWYFS-UONOGXRCSA-N 2 1 256.434 2.369 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422564640 394712657 /nfs/dbraw/zinc/71/26/57/394712657.db2.gz WKJSGQAKRQLVIZ-RDBSUJKOSA-N 2 1 292.471 2.350 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C[C@H]1C[NH3+] ZINC000334819988 394713706 /nfs/dbraw/zinc/71/37/06/394713706.db2.gz KRUUSDYXTHEUQU-SWLSCSKDSA-N 2 1 285.391 2.357 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCc3ccc(O)cc3C2)CC[NH2+]1 ZINC000334848185 394715351 /nfs/dbraw/zinc/71/53/51/394715351.db2.gz OSRCJDOAIYRNSO-QWHCGFSZSA-N 2 1 260.381 2.138 20 0 CEADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1C[C@@H]1C ZINC000414146007 394716630 /nfs/dbraw/zinc/71/66/30/394716630.db2.gz MNMLWGUTUVWNSQ-ZNMIVQPWSA-N 2 1 267.461 2.037 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](OCC)C2)[C@@H](C)C1 ZINC000414150011 394717378 /nfs/dbraw/zinc/71/73/78/394717378.db2.gz ULVMFXWIYMFQER-MWDXBVQZSA-N 2 1 298.471 2.281 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414168489 394721486 /nfs/dbraw/zinc/72/14/86/394721486.db2.gz AEOVKHOEGNUCLO-GXTWGEPZSA-N 2 1 264.417 2.111 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2nccn21 ZINC000414174248 394722371 /nfs/dbraw/zinc/72/23/71/394722371.db2.gz GNAVKWLUYZTQSB-HZSPNIEDSA-N 2 1 262.401 2.210 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)nn1C ZINC000414174680 394722624 /nfs/dbraw/zinc/72/26/24/394722624.db2.gz GSRZXELGCIYMHS-KBPBESRZSA-N 2 1 264.417 2.111 20 0 CEADMP CCn1ccnc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414173608 394722671 /nfs/dbraw/zinc/72/26/71/394722671.db2.gz FYOFDZILIFNZOF-KGLIPLIRSA-N 2 1 264.417 2.286 20 0 CEADMP CC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccn(C)n1 ZINC000414177914 394723741 /nfs/dbraw/zinc/72/37/41/394723741.db2.gz IVUUENNMPHHKNI-AWEZNQCLSA-N 2 1 269.352 2.309 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000414189292 394725429 /nfs/dbraw/zinc/72/54/29/394725429.db2.gz QTZMUVVLPWDKMG-GJZGRUSLSA-N 2 1 291.439 2.343 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)no1 ZINC000414194684 394727544 /nfs/dbraw/zinc/72/75/44/394727544.db2.gz UOPDZJUFRQAKLK-OLZOCXBDSA-N 2 1 251.374 2.366 20 0 CEADMP C(CC[NH2+][C@@H]1CC[NH2+]C1)CCOC1CCCCC1 ZINC000422702184 394727740 /nfs/dbraw/zinc/72/77/40/394727740.db2.gz DJHKTQGHAGZBMK-CQSZACIVSA-N 2 1 254.418 2.458 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414677773 394748421 /nfs/dbraw/zinc/74/84/21/394748421.db2.gz JQQFLEHJMNYNQA-VYDXJSESSA-N 2 1 274.408 2.448 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)[C@H]1CCCC[NH2+]1 ZINC000422739128 394750707 /nfs/dbraw/zinc/75/07/07/394750707.db2.gz ZWQZYSOKZSSMSN-CZUORRHYSA-N 2 1 274.408 2.284 20 0 CEADMP C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)[C@@H]1CCCC[NH2+]1 ZINC000422739126 394750997 /nfs/dbraw/zinc/75/09/97/394750997.db2.gz ZWQZYSOKZSSMSN-BBRMVZONSA-N 2 1 274.408 2.284 20 0 CEADMP COCCOc1ccccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422740046 394751053 /nfs/dbraw/zinc/75/10/53/394751053.db2.gz MWNBCWFLNKAUSR-CVEARBPZSA-N 2 1 292.423 2.461 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](C)C2C[NH2+]C2)C1 ZINC000422741511 394751682 /nfs/dbraw/zinc/75/16/82/394751682.db2.gz OQJWNICMJGVIDR-VBQJREDUSA-N 2 1 273.424 2.019 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1 ZINC000422741511 394751683 /nfs/dbraw/zinc/75/16/83/394751683.db2.gz OQJWNICMJGVIDR-VBQJREDUSA-N 2 1 273.424 2.019 20 0 CEADMP COc1ccc(OC)c(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414823073 394753126 /nfs/dbraw/zinc/75/31/26/394753126.db2.gz ARSIABZRSZVBRZ-QWHCGFSZSA-N 2 1 278.396 2.182 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@H](C)c2c[nH+]ccc2N)C1 ZINC000422742766 394753445 /nfs/dbraw/zinc/75/34/45/394753445.db2.gz QIOMYJDGZZWYAR-ZIAGYGMSSA-N 2 1 276.428 2.265 20 0 CEADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000422747443 394756308 /nfs/dbraw/zinc/75/63/08/394756308.db2.gz YRKFENGXVAVTKH-QAPCUYQASA-N 2 1 289.467 2.266 20 0 CEADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000422747441 394756376 /nfs/dbraw/zinc/75/63/76/394756376.db2.gz YRKFENGXVAVTKH-CRAIPNDOSA-N 2 1 289.467 2.266 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC000414831621 394759252 /nfs/dbraw/zinc/75/92/52/394759252.db2.gz DGBXXZGFFVAIHU-SNVBAGLBSA-N 2 1 286.803 2.302 20 0 CEADMP C[C@@H]([NH2+]CCn1cnc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422752784 394759405 /nfs/dbraw/zinc/75/94/05/394759405.db2.gz DCLVSPFVTSCNPO-KGLIPLIRSA-N 2 1 272.396 2.157 20 0 CEADMP Cc1nc2ccccc2n1CCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422753234 394759940 /nfs/dbraw/zinc/75/99/40/394759940.db2.gz IETVIBZGHFVLQC-CJNGLKHVSA-N 2 1 286.423 2.322 20 0 CEADMP Cc1[nH]nc2ncc(C[NH2+]CC3([NH3+])CCCCC3)cc12 ZINC000414834909 394761520 /nfs/dbraw/zinc/76/15/20/394761520.db2.gz CIXKMQYOHAXVSD-UHFFFAOYSA-N 2 1 273.384 2.018 20 0 CEADMP C[C@@H]([NH2+]CCN1c2ccccc2C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422759869 394764539 /nfs/dbraw/zinc/76/45/39/394764539.db2.gz KHJUMLIHVPHYNE-FMKPAKJESA-N 2 1 273.424 2.168 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422763648 394767553 /nfs/dbraw/zinc/76/75/53/394767553.db2.gz UGSZMHIJUFCTLP-DJIMGWMZSA-N 2 1 275.440 2.019 20 0 CEADMP C[C@H](NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422771256 394773124 /nfs/dbraw/zinc/77/31/24/394773124.db2.gz XHEFWJPNZMQPQJ-QLFBSQMISA-N 2 1 267.461 2.227 20 0 CEADMP C[NH2+]CCCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414857262 394773506 /nfs/dbraw/zinc/77/35/06/394773506.db2.gz CGJORPRZFWZVJO-RDJZCZTQSA-N 2 1 275.440 2.239 20 0 CEADMP CNC(=O)c1ccc(C[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000414861329 394776053 /nfs/dbraw/zinc/77/60/53/394776053.db2.gz RXRDRMGAAGCSAC-UHFFFAOYSA-N 2 1 289.423 2.188 20 0 CEADMP CCC[NH2+]CC[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000414865492 394777690 /nfs/dbraw/zinc/77/76/90/394777690.db2.gz FSFYJCVQFCAPID-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)C1C[NH2+]C1 ZINC000422781843 394780443 /nfs/dbraw/zinc/78/04/43/394780443.db2.gz LDHKHVYSGGUUDI-MAZHCROVSA-N 2 1 260.381 2.104 20 0 CEADMP COc1ccc(Br)c(C[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000414878179 394784045 /nfs/dbraw/zinc/78/40/45/394784045.db2.gz NZWRKNMBNZYBTG-VIFPVBQESA-N 2 1 287.201 2.142 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(OCC3CC3)cc2)CCC1 ZINC000414880394 394785252 /nfs/dbraw/zinc/78/52/52/394785252.db2.gz QPUMKVBOJHOFFB-UHFFFAOYSA-N 2 1 260.381 2.446 20 0 CEADMP CC[NH+](CC)Cc1ccccc1CN[C@H](C)C1C[NH2+]C1 ZINC000422787995 394786082 /nfs/dbraw/zinc/78/60/82/394786082.db2.gz MVCCKILWTIWWJN-CQSZACIVSA-N 2 1 275.440 2.226 20 0 CEADMP C[C@H](C[NH3+])CN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414882299 394786560 /nfs/dbraw/zinc/78/65/60/394786560.db2.gz TYAUSSSZGCEKAO-FMKPAKJESA-N 2 1 261.413 2.006 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000414882299 394786563 /nfs/dbraw/zinc/78/65/63/394786563.db2.gz TYAUSSSZGCEKAO-FMKPAKJESA-N 2 1 261.413 2.006 20 0 CEADMP COc1ccc(C)cc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422790860 394788914 /nfs/dbraw/zinc/78/89/14/394788914.db2.gz UKJZEODRKVSIGU-HIFRSBDPSA-N 2 1 262.397 2.276 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@H](C)CCCC[NH3+])CC2)[nH+]c1 ZINC000422793461 394790292 /nfs/dbraw/zinc/79/02/92/394790292.db2.gz YEUOXIJSRJDCQP-OAHLLOKOSA-N 3 1 290.455 2.466 20 0 CEADMP CC[C@H]1C[C@@H](C[NH2+]CCC[NH2+]Cc2cccnc2)CCO1 ZINC000414890063 394790435 /nfs/dbraw/zinc/79/04/35/394790435.db2.gz ZATFNMDMCLNPSJ-RDJZCZTQSA-N 2 1 291.439 2.356 20 0 CEADMP COc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1OC(F)F ZINC000414891651 394791782 /nfs/dbraw/zinc/79/17/82/394791782.db2.gz VYMXVHDUENQYQU-UHFFFAOYSA-N 2 1 286.322 2.268 20 0 CEADMP COc1cccc(O[C@@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422796916 394793764 /nfs/dbraw/zinc/79/37/64/394793764.db2.gz ZJEJNURMDWEPQT-ZENOOKHLSA-N 2 1 278.396 2.193 20 0 CEADMP C[C@H](NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422800713 394796077 /nfs/dbraw/zinc/79/60/77/394796077.db2.gz CREHYVRIEKNHON-UBHSHLNASA-N 2 1 267.442 2.081 20 0 CEADMP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1OC(C)C ZINC000414902335 394797033 /nfs/dbraw/zinc/79/70/33/394797033.db2.gz YBSHEKKHEPBOJG-AWEZNQCLSA-N 2 1 278.396 2.309 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])[nH]c2c1 ZINC000422802443 394797329 /nfs/dbraw/zinc/79/73/29/394797329.db2.gz BLJKEGBCEYRGCR-CHWSQXEVSA-N 2 1 272.396 2.478 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C12CCCC2 ZINC000422803197 394798061 /nfs/dbraw/zinc/79/80/61/394798061.db2.gz IIEMTYWJMKJGFT-ZQDZILKHSA-N 2 1 266.429 2.312 20 0 CEADMP CO[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)C(C)(C)C ZINC000422803575 394798981 /nfs/dbraw/zinc/79/89/81/394798981.db2.gz CYFDUWWXLYDROH-MFKMUULPSA-N 2 1 251.374 2.206 20 0 CEADMP C[C@@]1(C[NH2+]Cc2ccc(Br)cn2)CCC[NH2+]C1 ZINC000414908448 394799914 /nfs/dbraw/zinc/79/99/14/394799914.db2.gz QXDNVQRZUJOUIT-CYBMUJFWSA-N 2 1 298.228 2.323 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2csc(C3CC3)n2)C1 ZINC000414911087 394800560 /nfs/dbraw/zinc/80/05/60/394800560.db2.gz DJTYSWRBZIVFBN-QWRGUYRKSA-N 2 1 251.399 2.380 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000360838958 394808705 /nfs/dbraw/zinc/80/87/05/394808705.db2.gz FMEDHTFYCAIKOB-BBRMVZONSA-N 2 1 276.424 2.311 20 0 CEADMP C[C@H](CCN[C@H](C)C1C[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000422817926 394809826 /nfs/dbraw/zinc/80/98/26/394809826.db2.gz FHGMCGFRMYCZBC-HUUCEWRRSA-N 2 1 275.440 2.095 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000361005772 394812755 /nfs/dbraw/zinc/81/27/55/394812755.db2.gz XHYDZOHNLHRWRP-XJKCOSOUSA-N 2 1 290.455 2.117 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000361005772 394812759 /nfs/dbraw/zinc/81/27/59/394812759.db2.gz XHYDZOHNLHRWRP-XJKCOSOUSA-N 2 1 290.455 2.117 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000422825226 394813456 /nfs/dbraw/zinc/81/34/56/394813456.db2.gz PKRDHXMCAPVVET-OWCLPIDISA-N 2 1 299.528 2.324 20 0 CEADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414942574 394814277 /nfs/dbraw/zinc/81/42/77/394814277.db2.gz ZUGYDGHLSYZSSM-GUTXKFCHSA-N 2 1 290.407 2.324 20 0 CEADMP CCOc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1F ZINC000414944007 394815283 /nfs/dbraw/zinc/81/52/83/394815283.db2.gz OTSRXJPAYDJSHF-UHFFFAOYSA-N 2 1 266.360 2.456 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414946936 394817099 /nfs/dbraw/zinc/81/70/99/394817099.db2.gz VBVVNHMBHXUXOS-UHFFFAOYSA-N 2 1 250.390 2.004 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cnc(-c3ccccn3)s2)CC[NH2+]1 ZINC000414949445 394819089 /nfs/dbraw/zinc/81/90/89/394819089.db2.gz NLCLDAAEGPRQSU-VXGBXAGGSA-N 2 1 288.420 2.435 20 0 CEADMP COC[C@]1(C[NH2+][C@@H](C)Cc2ccccc2F)CCC[NH2+]1 ZINC000414951451 394820321 /nfs/dbraw/zinc/82/03/21/394820321.db2.gz GXOYWSBWJLBXFQ-XJKSGUPXSA-N 2 1 280.387 2.115 20 0 CEADMP CCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414952532 394821349 /nfs/dbraw/zinc/82/13/49/394821349.db2.gz QWTNFFISEBAUNC-OCCSQVGLSA-N 2 1 278.396 2.324 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000336534901 394862362 /nfs/dbraw/zinc/86/23/62/394862362.db2.gz GGCIBVJYBVNFNU-KRWDZBQOSA-N 2 1 287.407 2.221 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000336534901 394862366 /nfs/dbraw/zinc/86/23/66/394862366.db2.gz GGCIBVJYBVNFNU-KRWDZBQOSA-N 2 1 287.407 2.221 20 0 CEADMP CC(C)C[C@H]([NH3+])CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000415051914 394864531 /nfs/dbraw/zinc/86/45/31/394864531.db2.gz JXOYAGJWNWWUKJ-HOTGVXAUSA-N 2 1 263.429 2.430 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(F)c1 ZINC000422928430 394865079 /nfs/dbraw/zinc/86/50/79/394865079.db2.gz KMVJZWTUOUYAOM-LBPRGKRZSA-N 2 1 252.333 2.066 20 0 CEADMP COc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1C ZINC000415053969 394865686 /nfs/dbraw/zinc/86/56/86/394865686.db2.gz KXYJJTJQSRWTKP-CZUORRHYSA-N 2 1 262.397 2.420 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415088651 394884966 /nfs/dbraw/zinc/88/49/66/394884966.db2.gz WMXUWFQTJSUROU-QWHCGFSZSA-N 2 1 278.444 2.165 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000422933652 394866854 /nfs/dbraw/zinc/86/68/54/394866854.db2.gz BSCWHYJHCVVODF-STQMWFEESA-N 2 1 299.212 2.297 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000415055182 394867300 /nfs/dbraw/zinc/86/73/00/394867300.db2.gz NHCHSRDQIBTJKE-CYBMUJFWSA-N 2 1 278.425 2.397 20 0 CEADMP COC[C@@H](CCC[NH3+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000422967548 394869152 /nfs/dbraw/zinc/86/91/52/394869152.db2.gz TWIGUCJCYLDIJF-IAGOWNOFSA-N 2 1 299.503 2.231 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)C1CCCC1 ZINC000415063468 394870646 /nfs/dbraw/zinc/87/06/46/394870646.db2.gz IEVHVFYLZOVGKA-MRXNPFEDSA-N 2 1 288.439 2.158 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cn1 ZINC000415063969 394870688 /nfs/dbraw/zinc/87/06/88/394870688.db2.gz JKRLWGNCMSCZLH-HNNXBMFYSA-N 2 1 276.428 2.145 20 0 CEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415073103 394875617 /nfs/dbraw/zinc/87/56/17/394875617.db2.gz NBXXVZJCEGVSRO-SWLSCSKDSA-N 2 1 250.361 2.488 20 0 CEADMP Cc1ccc2nc(C[NH2+]C[C@@H]3CC[NH2+][C@H](C)C3)[nH]c2c1 ZINC000415074728 394877208 /nfs/dbraw/zinc/87/72/08/394877208.db2.gz AEGKUCAYEUOAFP-CHWSQXEVSA-N 2 1 272.396 2.349 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422992741 394877441 /nfs/dbraw/zinc/87/74/41/394877441.db2.gz DJJYZYNLZVVDHY-HRCADAONSA-N 2 1 267.461 2.085 20 0 CEADMP CC[C@@]1(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC[NH2+]C1 ZINC000363533764 394879793 /nfs/dbraw/zinc/87/97/93/394879793.db2.gz JJHQPJPKQSMAEH-NVXWUHKLSA-N 2 1 295.471 2.004 20 0 CEADMP CC[NH2+][C@H](C)CN[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414964898 394828420 /nfs/dbraw/zinc/82/84/20/394828420.db2.gz VARKNBQCQOQVRV-INMHGKMJSA-N 2 1 275.440 2.410 20 0 CEADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414964897 394828483 /nfs/dbraw/zinc/82/84/83/394828483.db2.gz VARKNBQCQOQVRV-HLLBOEOZSA-N 2 1 275.440 2.410 20 0 CEADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000361491807 394830971 /nfs/dbraw/zinc/83/09/71/394830971.db2.gz AMIXBDLZACSRLK-WCVJEAGWSA-N 2 1 295.471 2.142 20 0 CEADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000361491807 394830973 /nfs/dbraw/zinc/83/09/73/394830973.db2.gz AMIXBDLZACSRLK-WCVJEAGWSA-N 2 1 295.471 2.142 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@H+]1CCCC[C@@H]1C ZINC000422859732 394834903 /nfs/dbraw/zinc/83/49/03/394834903.db2.gz KEUVVOACWQLCBO-XYJFISCASA-N 2 1 289.467 2.409 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCOCC1 ZINC000361733495 394835223 /nfs/dbraw/zinc/83/52/23/394835223.db2.gz BXMGJHPFYMRWCP-YUELXQCFSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCOCC1 ZINC000361733495 394835224 /nfs/dbraw/zinc/83/52/24/394835224.db2.gz BXMGJHPFYMRWCP-YUELXQCFSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000422869559 394840372 /nfs/dbraw/zinc/84/03/72/394840372.db2.gz XNGOXJFKZBRGLZ-KBPBESRZSA-N 2 1 290.455 2.231 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[N@H+]1CCC[C@H](C)C1 ZINC000422869559 394840376 /nfs/dbraw/zinc/84/03/76/394840376.db2.gz XNGOXJFKZBRGLZ-KBPBESRZSA-N 2 1 290.455 2.231 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422876591 394844496 /nfs/dbraw/zinc/84/44/96/394844496.db2.gz GLFGXOZQWGSDAN-FZKCQIBNSA-N 3 1 269.477 2.460 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422877328 394844772 /nfs/dbraw/zinc/84/47/72/394844772.db2.gz HRCIVRUWLQVOFK-BZUAXINKSA-N 3 1 267.461 2.371 20 0 CEADMP C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422877328 394844774 /nfs/dbraw/zinc/84/47/74/394844774.db2.gz HRCIVRUWLQVOFK-BZUAXINKSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422877328 394844776 /nfs/dbraw/zinc/84/47/76/394844776.db2.gz HRCIVRUWLQVOFK-BZUAXINKSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422877550 394844837 /nfs/dbraw/zinc/84/48/37/394844837.db2.gz RQEFHICURKASHP-XJNFMUPTSA-N 2 1 276.424 2.129 20 0 CEADMP CC[N@@H+](CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+])C(C)C ZINC000422882781 394847870 /nfs/dbraw/zinc/84/78/70/394847870.db2.gz TYPMHJCHDSADHV-DOTOQJQBSA-N 2 1 277.456 2.265 20 0 CEADMP COCCC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CCC1 ZINC000422888364 394851084 /nfs/dbraw/zinc/85/10/84/394851084.db2.gz MYTRXWHILBOMNS-GFCCVEGCSA-N 2 1 263.385 2.352 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422897128 394854747 /nfs/dbraw/zinc/85/47/47/394854747.db2.gz JCDZIOKTEJKNCF-DOMZBBRYSA-N 2 1 262.372 2.445 20 0 CEADMP C[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000337133878 394884202 /nfs/dbraw/zinc/88/42/02/394884202.db2.gz BEMLTOBNPGAPKS-FUHWJXTLSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000337133878 394884206 /nfs/dbraw/zinc/88/42/06/394884206.db2.gz BEMLTOBNPGAPKS-FUHWJXTLSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000337133878 394884208 /nfs/dbraw/zinc/88/42/08/394884208.db2.gz BEMLTOBNPGAPKS-FUHWJXTLSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000422898673 394855942 /nfs/dbraw/zinc/85/59/42/394855942.db2.gz MNZZWGPOPHOMEF-CPUCHLNUSA-N 2 1 291.414 2.240 20 0 CEADMP CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422903141 394856150 /nfs/dbraw/zinc/85/61/50/394856150.db2.gz FCIOCFGQRLWPDG-BBRMVZONSA-N 2 1 290.455 2.374 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc2cccnc12 ZINC000415036823 394857733 /nfs/dbraw/zinc/85/77/33/394857733.db2.gz KGTSMQQIGHTPFM-INIZCTEOSA-N 2 1 285.391 2.011 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415041634 394860335 /nfs/dbraw/zinc/86/03/35/394860335.db2.gz LNFDZDXRVLHEED-YOEHRIQHSA-N 2 1 289.423 2.363 20 0 CEADMP COc1cc(C)nc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415041634 394860337 /nfs/dbraw/zinc/86/03/37/394860337.db2.gz LNFDZDXRVLHEED-YOEHRIQHSA-N 2 1 289.423 2.363 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415041634 394860340 /nfs/dbraw/zinc/86/03/40/394860340.db2.gz LNFDZDXRVLHEED-YOEHRIQHSA-N 2 1 289.423 2.363 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000422915253 394860414 /nfs/dbraw/zinc/86/04/14/394860414.db2.gz XUNBKWWJCJVCKZ-VVLHAWIVSA-N 3 1 297.487 2.125 20 0 CEADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCCC[C@@H]2N)C[C@H](C)O1 ZINC000422915253 394860416 /nfs/dbraw/zinc/86/04/16/394860416.db2.gz XUNBKWWJCJVCKZ-VVLHAWIVSA-N 2 1 297.487 2.125 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCCC[C@@H]2N)C[C@H](C)O1 ZINC000422915253 394860419 /nfs/dbraw/zinc/86/04/19/394860419.db2.gz XUNBKWWJCJVCKZ-VVLHAWIVSA-N 2 1 297.487 2.125 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415041623 394860807 /nfs/dbraw/zinc/86/08/07/394860807.db2.gz LNFDZDXRVLHEED-PBHICJAKSA-N 2 1 289.423 2.363 20 0 CEADMP COc1cc(C)nc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415041623 394860808 /nfs/dbraw/zinc/86/08/08/394860808.db2.gz LNFDZDXRVLHEED-PBHICJAKSA-N 2 1 289.423 2.363 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415041623 394860811 /nfs/dbraw/zinc/86/08/11/394860811.db2.gz LNFDZDXRVLHEED-PBHICJAKSA-N 2 1 289.423 2.363 20 0 CEADMP CCCn1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415041843 394860946 /nfs/dbraw/zinc/86/09/46/394860946.db2.gz LUJRWFVVJXKXGV-JKSUJKDBSA-N 2 1 276.428 2.257 20 0 CEADMP CCCn1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415041843 394860949 /nfs/dbraw/zinc/86/09/49/394860949.db2.gz LUJRWFVVJXKXGV-JKSUJKDBSA-N 2 1 276.428 2.257 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415091049 394886074 /nfs/dbraw/zinc/88/60/74/394886074.db2.gz YQRWLNWQRXRODS-PVAVHDDUSA-N 2 1 284.407 2.355 20 0 CEADMP Cc1cc(N[C@@H]2C[N@H+](C)Cc3ccccc32)cc[nH+]1 ZINC000364352356 394893939 /nfs/dbraw/zinc/89/39/39/394893939.db2.gz KFFUCEBTUQVOOV-MRXNPFEDSA-N 2 1 253.349 2.411 20 0 CEADMP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415104788 394891464 /nfs/dbraw/zinc/89/14/64/394891464.db2.gz LFRSNDOHEQFNCQ-HUUCEWRRSA-N 2 1 290.407 2.269 20 0 CEADMP C[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000415103165 394891482 /nfs/dbraw/zinc/89/14/82/394891482.db2.gz CSMOEQIWXSNKLT-WMLDXEAASA-N 2 1 288.435 2.471 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)o2)CCCO1 ZINC000415104193 394891574 /nfs/dbraw/zinc/89/15/74/394891574.db2.gz GTMYAWGBDZJBGC-INIZCTEOSA-N 2 1 286.375 2.496 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)CCCO1 ZINC000415104193 394891576 /nfs/dbraw/zinc/89/15/76/394891576.db2.gz GTMYAWGBDZJBGC-INIZCTEOSA-N 2 1 286.375 2.496 20 0 CEADMP CN(C)C(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000364208356 394891980 /nfs/dbraw/zinc/89/19/80/394891980.db2.gz RLFOKCFKSAGJPM-JSGCOSHPSA-N 2 1 294.830 2.419 20 0 CEADMP c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)CO2 ZINC000423570725 394953540 /nfs/dbraw/zinc/95/35/40/394953540.db2.gz XAKWVCUKECUWCO-LSDHHAIUSA-N 2 1 260.381 2.112 20 0 CEADMP CC(C)[C@@H](C[N@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000415114615 394894445 /nfs/dbraw/zinc/89/44/45/394894445.db2.gz WDYXWJKCYXERMG-DLBZAZTESA-N 2 1 276.424 2.476 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(C)cc1-c1ccnn1C ZINC000415119893 394897072 /nfs/dbraw/zinc/89/70/72/394897072.db2.gz FSVJQXLUVFBQLN-UHFFFAOYSA-N 2 1 286.423 2.437 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)s1 ZINC000415125376 394898247 /nfs/dbraw/zinc/89/82/47/394898247.db2.gz LBFAASMJVOZAOS-CHWSQXEVSA-N 2 1 296.484 2.406 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)s1 ZINC000415125376 394898249 /nfs/dbraw/zinc/89/82/49/394898249.db2.gz LBFAASMJVOZAOS-CHWSQXEVSA-N 2 1 296.484 2.406 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)nc2)C[C@H]1C[NH3+] ZINC000415125856 394899051 /nfs/dbraw/zinc/89/90/51/394899051.db2.gz LLRUZYHODTVEMA-GOEBONIOSA-N 2 1 288.439 2.099 20 0 CEADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423364570 394902253 /nfs/dbraw/zinc/90/22/53/394902253.db2.gz CJUHEAODAYHMRX-SUMWQHHRSA-N 2 1 285.391 2.311 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000423367195 394903501 /nfs/dbraw/zinc/90/35/01/394903501.db2.gz DEWUHUHHSMXCPG-MBNYWOFBSA-N 2 1 250.390 2.255 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCn2ccnc2)CC1 ZINC000131196024 394904688 /nfs/dbraw/zinc/90/46/88/394904688.db2.gz OTIMRJSWOSATMK-UHFFFAOYSA-N 2 1 278.444 2.327 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cn1 ZINC000423374764 394905497 /nfs/dbraw/zinc/90/54/97/394905497.db2.gz IKGUTFQHZJSRMU-WXHSDQCUSA-N 2 1 251.349 2.402 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2cncc(F)c2)C2CC2)CC[NH2+]1 ZINC000423390958 394911594 /nfs/dbraw/zinc/91/15/94/394911594.db2.gz WQAPGGOLNDMDLS-ONERCXAPSA-N 2 1 263.360 2.402 20 0 CEADMP CC[NH2+][C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423391971 394911685 /nfs/dbraw/zinc/91/16/85/394911685.db2.gz XDOGZDPTLHKWNM-HLLBOEOZSA-N 2 1 275.440 2.237 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C12CCC2 ZINC000423398754 394914805 /nfs/dbraw/zinc/91/48/05/394914805.db2.gz VLUPDILOLMYVHN-RFQIPJPRSA-N 2 1 252.402 2.064 20 0 CEADMP COC[C@]1(C[NH2+][C@@H]2C[C@H](OCC(C)C)C2(C)C)CCC[NH2+]1 ZINC000423423637 394918880 /nfs/dbraw/zinc/91/88/80/394918880.db2.gz ZZHRDABHWWAPIM-HLLBOEOZSA-N 2 1 298.471 2.184 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000423442298 394922139 /nfs/dbraw/zinc/92/21/39/394922139.db2.gz BOAZBYUYIUIWAN-NWDGAFQWSA-N 2 1 266.385 2.400 20 0 CEADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])CC2 ZINC000423456128 394924673 /nfs/dbraw/zinc/92/46/73/394924673.db2.gz DFRYKAQHKJHOCF-GBIKHYSHSA-N 2 1 264.369 2.016 20 0 CEADMP Cc1ccnc([C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000423472233 394928059 /nfs/dbraw/zinc/92/80/59/394928059.db2.gz HWGHEHLKYODWBM-VXGBXAGGSA-N 2 1 269.339 2.285 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)cc1 ZINC000423500157 394937121 /nfs/dbraw/zinc/93/71/21/394937121.db2.gz CUDDDEFPNIKLPT-RISCZKNCSA-N 2 1 268.788 2.369 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(OC)c1 ZINC000423500883 394937321 /nfs/dbraw/zinc/93/73/21/394937321.db2.gz DEGWGYOCWHCETL-HOTGVXAUSA-N 2 1 278.396 2.114 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cn1 ZINC000423503108 394938208 /nfs/dbraw/zinc/93/82/08/394938208.db2.gz MOJIQWKEENRIHF-IUODEOHRSA-N 2 1 277.412 2.128 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)o1 ZINC000423507627 394940588 /nfs/dbraw/zinc/94/05/88/394940588.db2.gz JVGGXNTZJCTXSE-QQFBHYJXSA-N 2 1 291.439 2.455 20 0 CEADMP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423519558 394942711 /nfs/dbraw/zinc/94/27/11/394942711.db2.gz PZQCWHZAXLBCJG-FVQBIDKESA-N 3 1 261.413 2.197 20 0 CEADMP Cc1c[nH+]ccc1N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000366427588 394944541 /nfs/dbraw/zinc/94/45/41/394944541.db2.gz GWBAEYPSMBVYCN-MRXNPFEDSA-N 2 1 253.349 2.411 20 0 CEADMP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1c[nH+]ccc1N ZINC000423552849 394950839 /nfs/dbraw/zinc/95/08/39/394950839.db2.gz QDHWBENROTXKBB-HIFPTAJRSA-N 3 1 262.401 2.018 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC2)C[C@H]1c1ccccc1 ZINC000340237552 394981802 /nfs/dbraw/zinc/98/18/02/394981802.db2.gz OILBRHYKAVPGIL-HOTGVXAUSA-N 2 1 274.408 2.327 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(O)CCC2)C[C@H]1c1ccccc1 ZINC000340237552 394981808 /nfs/dbraw/zinc/98/18/08/394981808.db2.gz OILBRHYKAVPGIL-HOTGVXAUSA-N 2 1 274.408 2.327 20 0 CEADMP Cn1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340354450 394983808 /nfs/dbraw/zinc/98/38/08/394983808.db2.gz UINXINAOQLUIPN-QZTJIDSGSA-N 2 1 298.434 2.388 20 0 CEADMP Cn1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340354450 394983811 /nfs/dbraw/zinc/98/38/11/394983811.db2.gz UINXINAOQLUIPN-QZTJIDSGSA-N 2 1 298.434 2.388 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415996908 394995126 /nfs/dbraw/zinc/99/51/26/394995126.db2.gz OGKLDRDODUPANT-UHFFFAOYSA-N 2 1 290.411 2.143 20 0 CEADMP C[N@@H+](C[C@H]1CCSC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000369489210 395000228 /nfs/dbraw/zinc/00/02/28/395000228.db2.gz DITGNUXGDMIVGH-CQSZACIVSA-N 2 1 298.496 2.315 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000371403565 395028640 /nfs/dbraw/zinc/02/86/40/395028640.db2.gz UMHHPYOGMAYTNJ-LSDHHAIUSA-N 2 1 274.408 2.436 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c3OCCO4)C[C@@H]21 ZINC000342084497 395009806 /nfs/dbraw/zinc/00/98/06/395009806.db2.gz LLLWHSZKROUSLR-AEGPPILISA-N 2 1 288.391 2.017 20 0 CEADMP CCCCCC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370819122 395014963 /nfs/dbraw/zinc/01/49/63/395014963.db2.gz IYXJUUQEODDDKU-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1cc(C)n2c(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cnc2n1 ZINC000370896196 395021797 /nfs/dbraw/zinc/02/17/97/395021797.db2.gz XKBWVYYCQZSNOK-HUUCEWRRSA-N 2 1 299.422 2.063 20 0 CEADMP Cc1cc(C)n2c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cnc2n1 ZINC000370896196 395021800 /nfs/dbraw/zinc/02/18/00/395021800.db2.gz XKBWVYYCQZSNOK-HUUCEWRRSA-N 2 1 299.422 2.063 20 0 CEADMP Cc1cc(C)n2c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cnc2n1 ZINC000370896196 395021804 /nfs/dbraw/zinc/02/18/04/395021804.db2.gz XKBWVYYCQZSNOK-HUUCEWRRSA-N 2 1 299.422 2.063 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCOc2cc(O)ccc2C1 ZINC000285594382 394961245 /nfs/dbraw/zinc/96/12/45/394961245.db2.gz USNINPPYTKSGDR-AWEZNQCLSA-N 2 1 276.380 2.071 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1C[NH2+]C ZINC000415914607 394976748 /nfs/dbraw/zinc/97/67/48/394976748.db2.gz WTLIHDZNEMDETL-ZDUSSCGKSA-N 2 1 292.427 2.258 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCSCC1 ZINC000159904899 395059431 /nfs/dbraw/zinc/05/94/31/395059431.db2.gz XLDQOSNJJOBWTA-KGLIPLIRSA-N 2 1 254.443 2.346 20 0 CEADMP CCN(CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)CCC(F)(F)F ZINC000426041703 395073185 /nfs/dbraw/zinc/07/31/85/395073185.db2.gz GYJMNBHEMBHHEI-STQMWFEESA-N 2 1 295.393 2.191 20 0 CEADMP CC(C)CO[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000162267645 395073317 /nfs/dbraw/zinc/07/33/17/395073317.db2.gz OIHVXKSSKUNBEF-GJZGRUSLSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)CO[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000162267645 395073323 /nfs/dbraw/zinc/07/33/23/395073323.db2.gz OIHVXKSSKUNBEF-GJZGRUSLSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@]1(C)CCO[C@@H]1C ZINC000494251346 395103687 /nfs/dbraw/zinc/10/36/87/395103687.db2.gz PMZRCUPHROOKTL-TZMCWYRMSA-N 2 1 251.374 2.129 20 0 CEADMP CC[C@H](C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)[NH+](CC)CC ZINC000346780885 395107567 /nfs/dbraw/zinc/10/75/67/395107567.db2.gz XACKKHAVUZQYJE-RBSFLKMASA-N 2 1 283.460 2.048 20 0 CEADMP CCn1cncc1CN[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000417868882 395153226 /nfs/dbraw/zinc/15/32/26/395153226.db2.gz GUVXNBZJEILGCJ-KGLIPLIRSA-N 2 1 264.417 2.113 20 0 CEADMP CCn1cncc1C[NH2+][C@@H](C)CN1CCC[C@@H](C)C1 ZINC000417868882 395153227 /nfs/dbraw/zinc/15/32/27/395153227.db2.gz GUVXNBZJEILGCJ-KGLIPLIRSA-N 2 1 264.417 2.113 20 0 CEADMP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000382228926 395180671 /nfs/dbraw/zinc/18/06/71/395180671.db2.gz XXPUKMZSQVBQJS-CABCVRRESA-N 2 1 264.413 2.164 20 0 CEADMP C[C@H](C[NH2+]Cc1cc(F)c(F)c(F)c1)C[NH+](C)C ZINC000291809971 395166559 /nfs/dbraw/zinc/16/65/59/395166559.db2.gz YBCGPXBFWYEMDY-SECBINFHSA-N 2 1 260.303 2.391 20 0 CEADMP CCC[C@@]1(C)CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351511361 395225707 /nfs/dbraw/zinc/22/57/07/395225707.db2.gz BXWBOZAGNWQKHB-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@@]1(C)CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351511361 395225713 /nfs/dbraw/zinc/22/57/13/395225713.db2.gz BXWBOZAGNWQKHB-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@@]1(C)CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351511361 395225717 /nfs/dbraw/zinc/22/57/17/395225717.db2.gz BXWBOZAGNWQKHB-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@@]1(C)CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351511361 395225724 /nfs/dbraw/zinc/22/57/24/395225724.db2.gz BXWBOZAGNWQKHB-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+][C@@]1(C)CCCc2ccccc21)C1CC1 ZINC000351595609 395227611 /nfs/dbraw/zinc/22/76/11/395227611.db2.gz RNGBQUNAIYKFTQ-AEFFLSMTSA-N 2 1 288.435 2.283 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+][C@@]1(C)CCCc2ccccc21)C1CC1 ZINC000351595609 395227619 /nfs/dbraw/zinc/22/76/19/395227619.db2.gz RNGBQUNAIYKFTQ-AEFFLSMTSA-N 2 1 288.435 2.283 20 0 CEADMP C[C@@H](CCCC[NH3+])NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000418717080 395235685 /nfs/dbraw/zinc/23/56/85/395235685.db2.gz ZEKUWCILJKEWHL-LSDHHAIUSA-N 2 1 298.475 2.020 20 0 CEADMP C[N@H+](Cc1cocn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000432919123 395186578 /nfs/dbraw/zinc/18/65/78/395186578.db2.gz SEINCOCQFNRNJQ-UHFFFAOYSA-N 2 1 286.379 2.418 20 0 CEADMP Cc1ccc2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cn2c1 ZINC000397286720 395221745 /nfs/dbraw/zinc/22/17/45/395221745.db2.gz UXRJNUWXLYEMSN-KFWWJZLASA-N 2 1 286.423 2.448 20 0 CEADMP Cc1ccc2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cn2c1 ZINC000397286720 395221747 /nfs/dbraw/zinc/22/17/47/395221747.db2.gz UXRJNUWXLYEMSN-KFWWJZLASA-N 2 1 286.423 2.448 20 0 CEADMP C[N@@H+](CCCOc1ccccc1)CC[C@H]1CC[NH2+]C1 ZINC000420323945 395326000 /nfs/dbraw/zinc/32/60/00/395326000.db2.gz URORCZVDZHIUFX-OAHLLOKOSA-N 2 1 262.397 2.387 20 0 CEADMP CC(C)[C@@](C)(O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000187083950 395297350 /nfs/dbraw/zinc/29/73/50/395297350.db2.gz CHMWTIBXLDIWCQ-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000353486362 395297901 /nfs/dbraw/zinc/29/79/01/395297901.db2.gz XQRDWWSRJXNCFM-SOUVJXGZSA-N 2 1 255.450 2.179 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353486362 395297908 /nfs/dbraw/zinc/29/79/08/395297908.db2.gz XQRDWWSRJXNCFM-SOUVJXGZSA-N 2 1 255.450 2.179 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353486362 395297910 /nfs/dbraw/zinc/29/79/10/395297910.db2.gz XQRDWWSRJXNCFM-SOUVJXGZSA-N 2 1 255.450 2.179 20 0 CEADMP COC(=O)c1ccccc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420295330 395300329 /nfs/dbraw/zinc/30/03/29/395300329.db2.gz VGVOGYLRWNHBDF-CHWSQXEVSA-N 2 1 276.380 2.032 20 0 CEADMP COC(=O)c1ccccc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420295330 395300335 /nfs/dbraw/zinc/30/03/35/395300335.db2.gz VGVOGYLRWNHBDF-CHWSQXEVSA-N 2 1 276.380 2.032 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CC[NH2+]C2)C1(C)C ZINC000420295192 395300968 /nfs/dbraw/zinc/30/09/68/395300968.db2.gz BVNZAZZQHWVHDG-HZSPNIEDSA-N 2 1 254.418 2.121 20 0 CEADMP CC[NH2+]CC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000420295159 395301183 /nfs/dbraw/zinc/30/11/83/395301183.db2.gz VAHYLBDCUMIFDR-UHFFFAOYSA-N 2 1 267.461 2.184 20 0 CEADMP CC[NH2+]CC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000420295159 395301186 /nfs/dbraw/zinc/30/11/86/395301186.db2.gz VAHYLBDCUMIFDR-UHFFFAOYSA-N 2 1 267.461 2.184 20 0 CEADMP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)CC1CC1 ZINC000420295640 395302498 /nfs/dbraw/zinc/30/24/98/395302498.db2.gz CINXMTXUCJZACU-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP CCOCC[N@@H+](CC)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420301108 395305288 /nfs/dbraw/zinc/30/52/88/395305288.db2.gz IJGSNQSSHIOJJT-HNNXBMFYSA-N 2 1 280.412 2.096 20 0 CEADMP COc1cc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)cc(OC)c1 ZINC000420300526 395305440 /nfs/dbraw/zinc/30/54/40/395305440.db2.gz HYCKFRLUNIYEII-CYBMUJFWSA-N 2 1 278.396 2.135 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CC2CCC2)cc1 ZINC000420302100 395308063 /nfs/dbraw/zinc/30/80/63/395308063.db2.gz MCQJRDXQUDRTLJ-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420302593 395308356 /nfs/dbraw/zinc/30/83/56/395308356.db2.gz WKYQRSMMDVJNRK-SNVBAGLBSA-N 2 1 272.751 2.139 20 0 CEADMP CC(C)n1ncnc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000434533682 395309288 /nfs/dbraw/zinc/30/92/88/395309288.db2.gz CMVVGOAYPMJBJK-UHFFFAOYSA-N 2 1 279.432 2.023 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)s1 ZINC000420303669 395309785 /nfs/dbraw/zinc/30/97/85/395309785.db2.gz IBEDFCLMZGMSMW-WCFLWFBJSA-N 2 1 294.420 2.012 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)s1 ZINC000420303669 395309789 /nfs/dbraw/zinc/30/97/89/395309789.db2.gz IBEDFCLMZGMSMW-WCFLWFBJSA-N 2 1 294.420 2.012 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000354089331 395314096 /nfs/dbraw/zinc/31/40/96/395314096.db2.gz CQPXJRKIQXMFQD-PMPSAXMXSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000354089331 395314098 /nfs/dbraw/zinc/31/40/98/395314098.db2.gz CQPXJRKIQXMFQD-PMPSAXMXSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000354089331 395314106 /nfs/dbraw/zinc/31/41/06/395314106.db2.gz CQPXJRKIQXMFQD-PMPSAXMXSA-N 2 1 295.471 2.050 20 0 CEADMP Fc1ccc([C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1F ZINC000420312838 395316836 /nfs/dbraw/zinc/31/68/36/395316836.db2.gz XJDMGYRXSKUWPS-WBMJQRKESA-N 2 1 296.361 2.338 20 0 CEADMP Fc1ccc([C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1F ZINC000420312838 395316839 /nfs/dbraw/zinc/31/68/39/395316839.db2.gz XJDMGYRXSKUWPS-WBMJQRKESA-N 2 1 296.361 2.338 20 0 CEADMP Cc1nc([C@@H]2CCC[N@@H+](CCC[NH3+])C2)sc1C ZINC000420314899 395317904 /nfs/dbraw/zinc/31/79/04/395317904.db2.gz KKMTUDUKIBTVAP-GFCCVEGCSA-N 2 1 253.415 2.288 20 0 CEADMP C[N@@H+](CCOc1ccccc1F)CC[C@@H]1CC[NH2+]C1 ZINC000420315337 395319835 /nfs/dbraw/zinc/31/98/35/395319835.db2.gz LRYFHGOBNSFFAI-ZDUSSCGKSA-N 2 1 266.360 2.136 20 0 CEADMP Clc1cccc([C@@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)c1 ZINC000420320023 395321823 /nfs/dbraw/zinc/32/18/23/395321823.db2.gz QBMJPMQAHQLELE-INIZCTEOSA-N 2 1 293.842 2.382 20 0 CEADMP C[N@H+](Cc1cccc(-n2cccn2)c1)[C@@H](C[NH3+])C1CC1 ZINC000420320073 395322300 /nfs/dbraw/zinc/32/23/00/395322300.db2.gz SPCNEHSTSLXZOC-INIZCTEOSA-N 2 1 270.380 2.041 20 0 CEADMP C[N@@H+](Cc1cccc(-n2cccn2)c1)[C@@H](C[NH3+])C1CC1 ZINC000420320073 395322306 /nfs/dbraw/zinc/32/23/06/395322306.db2.gz SPCNEHSTSLXZOC-INIZCTEOSA-N 2 1 270.380 2.041 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000419234681 395255502 /nfs/dbraw/zinc/25/55/02/395255502.db2.gz IGBBQJOYWMTRBI-YLFCFFPRSA-N 2 1 298.471 2.231 20 0 CEADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420320537 395323560 /nfs/dbraw/zinc/32/35/60/395323560.db2.gz QNMNTEXJNRCSHB-OWCLPIDISA-N 2 1 295.471 2.003 20 0 CEADMP FC(F)(F)CCCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420324419 395327647 /nfs/dbraw/zinc/32/76/47/395327647.db2.gz ZRAQIBNMHLFINJ-WDEREUQCSA-N 2 1 250.308 2.260 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c(C)s1 ZINC000420320555 395323959 /nfs/dbraw/zinc/32/39/59/395323959.db2.gz UBUHZQHJRBEKGJ-AWEZNQCLSA-N 2 1 282.409 2.014 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(C)s1 ZINC000420320555 395323963 /nfs/dbraw/zinc/32/39/63/395323963.db2.gz UBUHZQHJRBEKGJ-AWEZNQCLSA-N 2 1 282.409 2.014 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000402386061 395269465 /nfs/dbraw/zinc/26/94/65/395269465.db2.gz QBPPFFRBJYPHBS-APIJFGDWSA-N 2 1 254.418 2.121 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC1CC[NH2+]CC1 ZINC000420365818 395353860 /nfs/dbraw/zinc/35/38/60/395353860.db2.gz SSVHYUPZPHPEMO-JYJNAYRXSA-N 2 1 294.439 2.182 20 0 CEADMP COc1ccc(OCC[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1 ZINC000420372662 395358329 /nfs/dbraw/zinc/35/83/29/395358329.db2.gz QIBDVAVPPVCRBW-XJKCOSOUSA-N 2 1 278.396 2.050 20 0 CEADMP CCc1ccccc1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420375377 395359958 /nfs/dbraw/zinc/35/99/58/395359958.db2.gz IXUDWKHHMLNDES-QGZVFWFLSA-N 2 1 299.422 2.136 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000420373473 395360535 /nfs/dbraw/zinc/36/05/35/395360535.db2.gz ZGWUKHYOZXECKP-ZDUSSCGKSA-N 2 1 299.365 2.256 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000420379432 395364552 /nfs/dbraw/zinc/36/45/52/395364552.db2.gz QYTTYNAEYLZPIU-WBVHZDCISA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000420379432 395364558 /nfs/dbraw/zinc/36/45/58/395364558.db2.gz QYTTYNAEYLZPIU-WBVHZDCISA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000420381982 395366099 /nfs/dbraw/zinc/36/60/99/395366099.db2.gz DAPJYEIRJIHZEB-RBSFLKMASA-N 2 1 254.418 2.252 20 0 CEADMP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cocn2)C1 ZINC000192286689 395378359 /nfs/dbraw/zinc/37/83/59/395378359.db2.gz QQYIMOPYGLHSQZ-ZDUSSCGKSA-N 2 1 251.374 2.276 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cocn2)C1 ZINC000192286689 395378364 /nfs/dbraw/zinc/37/83/64/395378364.db2.gz QQYIMOPYGLHSQZ-ZDUSSCGKSA-N 2 1 251.374 2.276 20 0 CEADMP CC[N@@H+](CCc1scnc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435627125 395380551 /nfs/dbraw/zinc/38/05/51/395380551.db2.gz QJOAWURXFGHORF-CYBMUJFWSA-N 2 1 267.442 2.458 20 0 CEADMP C[C@H]([NH3+])CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000442667026 395389870 /nfs/dbraw/zinc/38/98/70/395389870.db2.gz XSBXNYVPBGKOTR-ZMSDIMECSA-N 2 1 275.440 2.319 20 0 CEADMP CCCCc1noc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420330483 395331003 /nfs/dbraw/zinc/33/10/03/395331003.db2.gz PVIFYWUZFXNLAM-ZIAGYGMSSA-N 2 1 292.427 2.234 20 0 CEADMP CO[C@@H](C)c1nc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000420345892 395338224 /nfs/dbraw/zinc/33/82/24/395338224.db2.gz VXIYUOHKERFNCQ-RWMBFGLXSA-N 2 1 295.452 2.282 20 0 CEADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420351020 395339725 /nfs/dbraw/zinc/33/97/25/395339725.db2.gz ITUWYSFDDASXIX-QWHCGFSZSA-N 2 1 256.777 2.043 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC2CCC2)[C@H](C)C1 ZINC000445433666 395463835 /nfs/dbraw/zinc/46/38/35/395463835.db2.gz GITLSCGIPQPHSA-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC2CCC2)[C@H](C)C1 ZINC000445433666 395463839 /nfs/dbraw/zinc/46/38/39/395463839.db2.gz GITLSCGIPQPHSA-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC2CCC2)[C@H](C)C1 ZINC000445433666 395463842 /nfs/dbraw/zinc/46/38/42/395463842.db2.gz GITLSCGIPQPHSA-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(F)cn2)CC1 ZINC000529551690 395402812 /nfs/dbraw/zinc/40/28/12/395402812.db2.gz DSESKMZCNDZGMD-UHFFFAOYSA-N 2 1 263.360 2.281 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(F)cn2)CC1 ZINC000529551690 395402818 /nfs/dbraw/zinc/40/28/18/395402818.db2.gz DSESKMZCNDZGMD-UHFFFAOYSA-N 2 1 263.360 2.281 20 0 CEADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444091419 395414030 /nfs/dbraw/zinc/41/40/30/395414030.db2.gz XBWABRXVNDWHBP-DGXTUMSLSA-N 2 1 295.471 2.189 20 0 CEADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[NH+](C)C ZINC000529716928 395436628 /nfs/dbraw/zinc/43/66/28/395436628.db2.gz FBOODXGLUSUMQS-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C[NH+]1CCCCC1 ZINC000355408731 395439073 /nfs/dbraw/zinc/43/90/73/395439073.db2.gz GTMLSEPNPBHSII-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCOCC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000444674773 395444585 /nfs/dbraw/zinc/44/45/85/395444585.db2.gz PZTWBQVEJPNQBW-UXLLHSPISA-N 2 1 298.471 2.017 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@@H]1[NH3+] ZINC000567864704 395537405 /nfs/dbraw/zinc/53/74/05/395537405.db2.gz KIQPRDJGXQWIEQ-BBRMVZONSA-N 2 1 282.391 2.313 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@@H]1[NH3+] ZINC000567864704 395537407 /nfs/dbraw/zinc/53/74/07/395537407.db2.gz KIQPRDJGXQWIEQ-BBRMVZONSA-N 2 1 282.391 2.313 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000567897038 395540260 /nfs/dbraw/zinc/54/02/60/395540260.db2.gz AQMZKJCQNUKXFE-JKSUJKDBSA-N 2 1 289.423 2.066 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000565645225 395478913 /nfs/dbraw/zinc/47/89/13/395478913.db2.gz NGZNPYOTHRCDHQ-DZGCQCFKSA-N 3 1 299.422 2.053 20 0 CEADMP C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[N@H+]1CCCC[C@H]1C ZINC000566020220 395496607 /nfs/dbraw/zinc/49/66/07/395496607.db2.gz IVZUFJHQGDDWEI-APIJFGDWSA-N 3 1 253.434 2.109 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000451440700 395618533 /nfs/dbraw/zinc/61/85/33/395618533.db2.gz QGDQYKGMWORFQH-ZIAGYGMSSA-N 2 1 256.434 2.246 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000451440700 395618535 /nfs/dbraw/zinc/61/85/35/395618535.db2.gz QGDQYKGMWORFQH-ZIAGYGMSSA-N 2 1 256.434 2.246 20 0 CEADMP c1c(C[NH2+]CCCN2CCC2)[nH]nc1-c1ccccc1 ZINC000569471345 395578998 /nfs/dbraw/zinc/57/89/98/395578998.db2.gz HKUKRHHGSLXEMD-UHFFFAOYSA-N 2 1 270.380 2.262 20 0 CEADMP CC[NH2+]CCCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000574391384 395629054 /nfs/dbraw/zinc/62/90/54/395629054.db2.gz ZXYTZAGIGIFCJR-IAGOWNOFSA-N 2 1 275.440 2.411 20 0 CEADMP CC[C@@H]([NH2+]C[C@](C)(O)C[NH2+]C)c1ccc(Cl)cc1 ZINC000574458468 395630464 /nfs/dbraw/zinc/63/04/64/395630464.db2.gz JZGRQVLRCHZUCF-ZIAGYGMSSA-N 2 1 270.804 2.351 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cnc(-c3ccccc3)nc2)CC[NH2+]1 ZINC000574619871 395633371 /nfs/dbraw/zinc/63/33/71/395633371.db2.gz MNEIJNFSNJPBHF-XJKSGUPXSA-N 2 1 282.391 2.374 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000574723535 395635962 /nfs/dbraw/zinc/63/59/62/395635962.db2.gz RWKCEIURASACBK-QXSJWSMHSA-N 2 1 278.440 2.408 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000574816719 395638006 /nfs/dbraw/zinc/63/80/06/395638006.db2.gz SCVDVIUPQYONMJ-QGZVFWFLSA-N 2 1 272.392 2.242 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000574816719 395638007 /nfs/dbraw/zinc/63/80/07/395638007.db2.gz SCVDVIUPQYONMJ-QGZVFWFLSA-N 2 1 272.392 2.242 20 0 CEADMP Cn1cncc1CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000574819989 395638135 /nfs/dbraw/zinc/63/81/35/395638135.db2.gz LJOOMDAXMNOPMQ-INIZCTEOSA-N 2 1 290.455 2.161 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000494031582 395678642 /nfs/dbraw/zinc/67/86/42/395678642.db2.gz FBQKFGPGFVTVKK-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000494031582 395678643 /nfs/dbraw/zinc/67/86/43/395678643.db2.gz FBQKFGPGFVTVKK-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000494031582 395678644 /nfs/dbraw/zinc/67/86/44/395678644.db2.gz FBQKFGPGFVTVKK-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000494031582 395678645 /nfs/dbraw/zinc/67/86/45/395678645.db2.gz FBQKFGPGFVTVKK-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@]1(C[N@H+]2CCCc3sccc3C2)CC[NH2+]C1 ZINC000647516127 395724788 /nfs/dbraw/zinc/72/47/88/395724788.db2.gz OAQPSAXCTRNLQB-AWEZNQCLSA-N 2 1 250.411 2.496 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC[N@@H+]1C ZINC000647339152 395705743 /nfs/dbraw/zinc/70/57/43/395705743.db2.gz JXKDYQCCDKUHOK-RKTXRCNFSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC[N@H+]1C ZINC000647339152 395705745 /nfs/dbraw/zinc/70/57/45/395705745.db2.gz JXKDYQCCDKUHOK-RKTXRCNFSA-N 2 1 289.423 2.374 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCCOC2)[C@H](c2ccccc2)C1 ZINC000647343836 395707081 /nfs/dbraw/zinc/70/70/81/395707081.db2.gz CYVHITRCECZGNC-ZACQAIPSSA-N 2 1 274.408 2.100 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCCOCC2)[C@H](c2ccccc2)C1 ZINC000647343711 395707333 /nfs/dbraw/zinc/70/73/33/395707333.db2.gz AOVIVCRQGFFXFX-KURKYZTESA-N 2 1 288.435 2.491 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cnc3c(C)cccn23)CC[C@@H]1[NH3+] ZINC000647498296 395722466 /nfs/dbraw/zinc/72/24/66/395722466.db2.gz DPAYJKLNWWVOTP-HIFRSBDPSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cnc3c(C)cccn23)CC[C@@H]1[NH3+] ZINC000647498296 395722468 /nfs/dbraw/zinc/72/24/68/395722468.db2.gz DPAYJKLNWWVOTP-HIFRSBDPSA-N 2 1 272.396 2.202 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccc1-n1cncn1 ZINC000647506236 395723230 /nfs/dbraw/zinc/72/32/30/395723230.db2.gz VKCLEDSNVBHGFK-HNNXBMFYSA-N 2 1 287.411 2.073 20 0 CEADMP C[C@H](CCc1ccccc1)C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647507746 395723561 /nfs/dbraw/zinc/72/35/61/395723561.db2.gz WZGASCULHZUKJV-BFYDXBDKSA-N 2 1 276.424 2.303 20 0 CEADMP C[C@H](CCc1ccccc1)C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647507746 395723563 /nfs/dbraw/zinc/72/35/63/395723563.db2.gz WZGASCULHZUKJV-BFYDXBDKSA-N 2 1 276.424 2.303 20 0 CEADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000647662584 395741247 /nfs/dbraw/zinc/74/12/47/395741247.db2.gz KYPFLDUEPPQCJM-IUODEOHRSA-N 2 1 275.396 2.075 20 0 CEADMP CC[C@H]1C[N@@H+](CCC(=O)NCC2CCCCC2)CC[C@@H]1[NH3+] ZINC000647936942 395779646 /nfs/dbraw/zinc/77/96/46/395779646.db2.gz NXGBVHLZOOEVFM-HOTGVXAUSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000647965423 395788290 /nfs/dbraw/zinc/78/82/90/395788290.db2.gz WLBBMKZLRSDWFX-FXUDXRNXSA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000647965423 395788293 /nfs/dbraw/zinc/78/82/93/395788293.db2.gz WLBBMKZLRSDWFX-FXUDXRNXSA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000647965423 395788296 /nfs/dbraw/zinc/78/82/96/395788296.db2.gz WLBBMKZLRSDWFX-FXUDXRNXSA-N 2 1 268.445 2.341 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2[nH+]ccc3[nH]ccc32)C1 ZINC000647872836 395766802 /nfs/dbraw/zinc/76/68/02/395766802.db2.gz JJONMLMCXDYMEQ-IUODEOHRSA-N 2 1 270.380 2.483 20 0 CEADMP COc1ccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000647873483 395766912 /nfs/dbraw/zinc/76/69/12/395766912.db2.gz OSVJTDWDWYSXHG-CQSZACIVSA-N 2 1 260.381 2.269 20 0 CEADMP C[N@H+]1CC[C@@H]2CCN(c3[nH+]ccc4[nH]ccc43)[C@H]2C1 ZINC000647876621 395767364 /nfs/dbraw/zinc/76/73/64/395767364.db2.gz UKJQGVQQVVWMGM-RISCZKNCSA-N 2 1 256.353 2.093 20 0 CEADMP CCCNC(=O)[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647883517 395768881 /nfs/dbraw/zinc/76/88/81/395768881.db2.gz ZBYRRQNJXBTHRU-INIZCTEOSA-N 2 1 295.471 2.004 20 0 CEADMP c1cc([C@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc2c1OCO2 ZINC000647884452 395769444 /nfs/dbraw/zinc/76/94/44/395769444.db2.gz RNZZIUYKNYKCQZ-GXTWGEPZSA-N 2 1 274.364 2.162 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@](C)(OC)C2CC2)C1 ZINC000647910694 395771525 /nfs/dbraw/zinc/77/15/25/395771525.db2.gz ARIBMEMEXRFOTD-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@](C)(OC)C2CC2)C1 ZINC000647910694 395771526 /nfs/dbraw/zinc/77/15/26/395771526.db2.gz ARIBMEMEXRFOTD-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@](C)(OC)C2CC2)C1 ZINC000647910694 395771528 /nfs/dbraw/zinc/77/15/28/395771528.db2.gz ARIBMEMEXRFOTD-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)on1 ZINC000647977391 395793438 /nfs/dbraw/zinc/79/34/38/395793438.db2.gz AQEHWXIFXACTQG-KGLIPLIRSA-N 2 1 263.385 2.195 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977386 395793702 /nfs/dbraw/zinc/79/37/02/395793702.db2.gz AOASLHXUPYKKAU-DLBZAZTESA-N 2 1 290.455 2.293 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977386 395793705 /nfs/dbraw/zinc/79/37/05/395793705.db2.gz AOASLHXUPYKKAU-DLBZAZTESA-N 3 1 290.455 2.293 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977386 395793708 /nfs/dbraw/zinc/79/37/08/395793708.db2.gz AOASLHXUPYKKAU-DLBZAZTESA-N 3 1 290.455 2.293 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)OCC1CC1 ZINC000647978502 395794252 /nfs/dbraw/zinc/79/42/52/395794252.db2.gz SWGXQAIPDNIMDF-HZPDHXFCSA-N 2 1 266.429 2.125 20 0 CEADMP CC(C)n1ncnc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978721 395794542 /nfs/dbraw/zinc/79/45/42/395794542.db2.gz XDCDWRAPTDOQCA-LSDHHAIUSA-N 2 1 291.443 2.071 20 0 CEADMP CC(C)n1ncnc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978721 395794545 /nfs/dbraw/zinc/79/45/45/395794545.db2.gz XDCDWRAPTDOQCA-LSDHHAIUSA-N 2 1 291.443 2.071 20 0 CEADMP CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000647995214 395798459 /nfs/dbraw/zinc/79/84/59/395798459.db2.gz FYAJDEFGSGZQCN-UONOGXRCSA-N 2 1 254.418 2.110 20 0 CEADMP Cc1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cs1 ZINC000648370438 395895750 /nfs/dbraw/zinc/89/57/50/395895750.db2.gz FVUHPCKCIUONCT-INIZCTEOSA-N 2 1 293.480 2.268 20 0 CEADMP Cc1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cs1 ZINC000648370438 395895753 /nfs/dbraw/zinc/89/57/53/395895753.db2.gz FVUHPCKCIUONCT-INIZCTEOSA-N 2 1 293.480 2.268 20 0 CEADMP CCCN(C(=O)CC[C@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](C)C1 ZINC000649227816 396095532 /nfs/dbraw/zinc/09/55/32/396095532.db2.gz OSPUCMDXORKXIT-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000649227816 396095535 /nfs/dbraw/zinc/09/55/35/396095535.db2.gz OSPUCMDXORKXIT-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCN(C(=O)CC[C@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000649227816 396095539 /nfs/dbraw/zinc/09/55/39/396095539.db2.gz OSPUCMDXORKXIT-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCC2CC[NH2+]CC2)C1 ZINC000649414034 396148466 /nfs/dbraw/zinc/14/84/66/396148466.db2.gz CGKCWXMRVYXEMJ-INIZCTEOSA-N 3 1 267.461 2.040 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414034 396148469 /nfs/dbraw/zinc/14/84/69/396148469.db2.gz CGKCWXMRVYXEMJ-INIZCTEOSA-N 3 1 267.461 2.040 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414034 396148472 /nfs/dbraw/zinc/14/84/72/396148472.db2.gz CGKCWXMRVYXEMJ-INIZCTEOSA-N 3 1 267.461 2.040 20 0 CEADMP CC[C@@H]1COC(C)(C)C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000649717146 396237337 /nfs/dbraw/zinc/23/73/37/396237337.db2.gz XOKWUSZGELWKIB-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1COC(C)(C)C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000649717146 396237339 /nfs/dbraw/zinc/23/73/39/396237339.db2.gz XOKWUSZGELWKIB-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1COC(C)(C)C[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000649717146 396237342 /nfs/dbraw/zinc/23/73/42/396237342.db2.gz XOKWUSZGELWKIB-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1COC(C)(C)C[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000649717146 396237344 /nfs/dbraw/zinc/23/73/44/396237344.db2.gz XOKWUSZGELWKIB-ZIAGYGMSSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166295 396426267 /nfs/dbraw/zinc/42/62/67/396426267.db2.gz HWPHBXXBYUZHJE-ZBFHGGJFSA-N 2 1 274.408 2.154 20 0 CEADMP C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647166295 396426268 /nfs/dbraw/zinc/42/62/68/396426268.db2.gz HWPHBXXBYUZHJE-ZBFHGGJFSA-N 2 1 274.408 2.154 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CC[NH+](C)CC2)o1 ZINC000647169004 396426942 /nfs/dbraw/zinc/42/69/42/396426942.db2.gz VAEHMDLLJZEPEB-UHFFFAOYSA-N 2 1 288.395 2.172 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCCO1 ZINC000386191437 400525780 /nfs/dbraw/zinc/52/57/80/400525780.db2.gz LBOGFQXXZQIFSP-MNFFZHCASA-N 2 1 252.402 2.159 20 0 CEADMP CC[C@H]1CCC[C@@H](C[N@@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000394578125 400550521 /nfs/dbraw/zinc/55/05/21/400550521.db2.gz TVJAKSNXAUQAQZ-JKSUJKDBSA-N 2 1 267.461 2.040 20 0 CEADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000414189285 292160084 /nfs/dbraw/zinc/16/00/84/292160084.db2.gz RSTAULSXHFQXIO-PEHJNBARSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000359926786 155170719 /nfs/dbraw/zinc/17/07/19/155170719.db2.gz SLMXIJNZHVRWST-TWMKSMIVSA-N 3 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000359926786 155170725 /nfs/dbraw/zinc/17/07/25/155170725.db2.gz SLMXIJNZHVRWST-TWMKSMIVSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000359926786 155170729 /nfs/dbraw/zinc/17/07/29/155170729.db2.gz SLMXIJNZHVRWST-TWMKSMIVSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000359926786 155170735 /nfs/dbraw/zinc/17/07/35/155170735.db2.gz SLMXIJNZHVRWST-TWMKSMIVSA-N 3 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000359926786 155170740 /nfs/dbraw/zinc/17/07/40/155170740.db2.gz SLMXIJNZHVRWST-TWMKSMIVSA-N 3 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000359926786 155170744 /nfs/dbraw/zinc/17/07/44/155170744.db2.gz SLMXIJNZHVRWST-TWMKSMIVSA-N 3 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000359926786 155170749 /nfs/dbraw/zinc/17/07/49/155170749.db2.gz SLMXIJNZHVRWST-TWMKSMIVSA-N 3 1 281.488 2.284 20 0 CEADMP CCO[C@@H]1C[N@@H+](C[C@@H](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000650714578 401004698 /nfs/dbraw/zinc/00/46/98/401004698.db2.gz PAUKAFTXJHVTJD-USXIJHARSA-N 2 1 276.424 2.161 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000650720596 401009161 /nfs/dbraw/zinc/00/91/61/401009161.db2.gz VCZWHLMMHNTNTJ-RCCFBDPRSA-N 2 1 287.451 2.416 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH2+]C)[C@H](C)C1 ZINC000650720032 401009642 /nfs/dbraw/zinc/00/96/42/401009642.db2.gz CQAALWWCKOWFEO-PBHICJAKSA-N 3 1 275.440 2.226 20 0 CEADMP CC[N@@H+]1CC[C@H](NCc2ccccc2C[NH2+]C)[C@H](C)C1 ZINC000650720032 401009651 /nfs/dbraw/zinc/00/96/51/401009651.db2.gz CQAALWWCKOWFEO-PBHICJAKSA-N 2 1 275.440 2.226 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2ccccc2C[NH2+]C)[C@H](C)C1 ZINC000650720032 401009655 /nfs/dbraw/zinc/00/96/55/401009655.db2.gz CQAALWWCKOWFEO-PBHICJAKSA-N 2 1 275.440 2.226 20 0 CEADMP CCN1CC[C@H]([NH2+]Cc2ccccc2C[NH2+]C)[C@H](C)C1 ZINC000650720032 401009663 /nfs/dbraw/zinc/00/96/63/401009663.db2.gz CQAALWWCKOWFEO-PBHICJAKSA-N 2 1 275.440 2.226 20 0 CEADMP Cc1cccnc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650722838 401011941 /nfs/dbraw/zinc/01/19/41/401011941.db2.gz CCDPFSUINRYSCJ-UAGQMJEPSA-N 2 1 289.423 2.251 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650755951 401032616 /nfs/dbraw/zinc/03/26/16/401032616.db2.gz QEVIORSLNPZLGC-ZDUSSCGKSA-N 2 1 272.396 2.473 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000247123669 286013313 /nfs/dbraw/zinc/01/33/13/286013313.db2.gz RGQJKTOYRVWJMT-NUEKZKHPSA-N 2 1 262.397 2.446 20 0 CEADMP C[C@@H](COCC1CC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000651983811 401428626 /nfs/dbraw/zinc/42/86/26/401428626.db2.gz KWFYLMQNDSHUDI-LBPRGKRZSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000652353387 401492304 /nfs/dbraw/zinc/49/23/04/401492304.db2.gz DDOXXDQHDLKNQC-LRDDRELGSA-N 2 1 296.842 2.272 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000652353387 401492307 /nfs/dbraw/zinc/49/23/07/401492307.db2.gz DDOXXDQHDLKNQC-LRDDRELGSA-N 2 1 296.842 2.272 20 0 CEADMP Cc1nccn1CCC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355707 401492856 /nfs/dbraw/zinc/49/28/56/401492856.db2.gz DWKSLYTVDBMQNI-UKRRQHHQSA-N 2 1 264.417 2.031 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355707 401492860 /nfs/dbraw/zinc/49/28/60/401492860.db2.gz DWKSLYTVDBMQNI-UKRRQHHQSA-N 3 1 264.417 2.031 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355707 401492862 /nfs/dbraw/zinc/49/28/62/401492862.db2.gz DWKSLYTVDBMQNI-UKRRQHHQSA-N 3 1 264.417 2.031 20 0 CEADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000360149966 155230061 /nfs/dbraw/zinc/23/00/61/155230061.db2.gz PPAGVTLPPLCQSV-ZBFHGGJFSA-N 2 1 290.455 2.358 20 0 CEADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000360149966 155230063 /nfs/dbraw/zinc/23/00/63/155230063.db2.gz PPAGVTLPPLCQSV-ZBFHGGJFSA-N 2 1 290.455 2.358 20 0 CEADMP Cn1cc([C@@H]([NH2+]C2CC[NH+](C)CC2)C(C)(C)C)cn1 ZINC000360253897 155253443 /nfs/dbraw/zinc/25/34/43/155253443.db2.gz UNSLIQUUNQFSEP-CQSZACIVSA-N 2 1 264.417 2.191 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCCc2ccncc2)CCN1C ZINC000360455355 155304277 /nfs/dbraw/zinc/30/42/77/155304277.db2.gz NGKKHTFBDGZGDE-GDBMZVCRSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCc2ccncc2)CC[N@@H+]1C ZINC000360455355 155304279 /nfs/dbraw/zinc/30/42/79/155304279.db2.gz NGKKHTFBDGZGDE-GDBMZVCRSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCCc2ccncc2)CC[N@H+]1C ZINC000360455355 155304281 /nfs/dbraw/zinc/30/42/81/155304281.db2.gz NGKKHTFBDGZGDE-GDBMZVCRSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCCc2ccncc2)CC[NH+]1C ZINC000360455355 155304282 /nfs/dbraw/zinc/30/42/82/155304282.db2.gz NGKKHTFBDGZGDE-GDBMZVCRSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCCc2ccncc2)CC[NH+]1C ZINC000360455355 155304284 /nfs/dbraw/zinc/30/42/84/155304284.db2.gz NGKKHTFBDGZGDE-GDBMZVCRSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000360484713 155309927 /nfs/dbraw/zinc/30/99/27/155309927.db2.gz QMSRZBFUIDDXRV-UONOGXRCSA-N 2 1 286.423 2.425 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C1(C)C ZINC000178974702 286332091 /nfs/dbraw/zinc/33/20/91/286332091.db2.gz MVMDRQQCDNFEET-UONOGXRCSA-N 2 1 254.418 2.121 20 0 CEADMP COc1ccc(OCC[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414674224 286346302 /nfs/dbraw/zinc/34/63/02/286346302.db2.gz DIXVVWWCVLHQOC-HUUCEWRRSA-N 2 1 292.423 2.394 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)O1 ZINC000188556707 153058388 /nfs/dbraw/zinc/05/83/88/153058388.db2.gz GDAXCKWNLQNIAS-OAGGEKHMSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(=O)N(C)C ZINC000189010033 153079768 /nfs/dbraw/zinc/07/97/68/153079768.db2.gz OQHUQYONMQSJIX-OFQRWUPVSA-N 2 1 295.471 2.096 20 0 CEADMP CCN(C)c1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cn1 ZINC000191243432 153165058 /nfs/dbraw/zinc/16/50/58/153165058.db2.gz XTLIVHATWVOBKG-MRXNPFEDSA-N 2 1 290.455 2.311 20 0 CEADMP CCN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cn1 ZINC000191243432 153165063 /nfs/dbraw/zinc/16/50/63/153165063.db2.gz XTLIVHATWVOBKG-MRXNPFEDSA-N 2 1 290.455 2.311 20 0 CEADMP CCN(C)c1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000191243432 153165072 /nfs/dbraw/zinc/16/50/72/153165072.db2.gz XTLIVHATWVOBKG-MRXNPFEDSA-N 2 1 290.455 2.311 20 0 CEADMP CCN(C)c1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000191243432 153165076 /nfs/dbraw/zinc/16/50/76/153165076.db2.gz XTLIVHATWVOBKG-MRXNPFEDSA-N 2 1 290.455 2.311 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCS[C@H](C)[C@@H]2C)CC1 ZINC000191500649 153176565 /nfs/dbraw/zinc/17/65/65/153176565.db2.gz ACNLCTYNUVQZQZ-JKSUJKDBSA-N 2 1 299.528 2.228 20 0 CEADMP COCCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193287246 153230415 /nfs/dbraw/zinc/23/04/15/153230415.db2.gz OQLRTVAALZRWEQ-AGUYFDCRSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)CCOCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000218731398 153303800 /nfs/dbraw/zinc/30/38/00/153303800.db2.gz YLYNXBMQPGXADV-SOUVJXGZSA-N 2 1 256.434 2.367 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cs1 ZINC000221947764 153313553 /nfs/dbraw/zinc/31/35/53/153313553.db2.gz VTSHJRVUXKTHSV-CMPLNLGQSA-N 2 1 253.415 2.066 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)C1(C)C ZINC000223441263 153317821 /nfs/dbraw/zinc/31/78/21/153317821.db2.gz NPVVDROYLMREOO-MELADBBJSA-N 2 1 254.418 2.121 20 0 CEADMP [NH3+]CCC[N@@H+](CC[C@@H]1CCCO1)Cc1ccccc1 ZINC000230026707 153382292 /nfs/dbraw/zinc/38/22/92/153382292.db2.gz WVMDFXRQWQWHCJ-INIZCTEOSA-N 2 1 262.397 2.407 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000261614007 153790190 /nfs/dbraw/zinc/79/01/90/153790190.db2.gz BOXPKXVEQNCVTR-OAHLLOKOSA-N 2 1 254.418 2.397 20 0 CEADMP COCCC1(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCCCC1 ZINC000194541714 292300933 /nfs/dbraw/zinc/30/09/33/292300933.db2.gz WUDGBCYSUUJCHD-IYBDPMFKSA-N 2 1 280.456 2.467 20 0 CEADMP COCCC1(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CCCCC1 ZINC000194541714 292300935 /nfs/dbraw/zinc/30/09/35/292300935.db2.gz WUDGBCYSUUJCHD-IYBDPMFKSA-N 2 1 280.456 2.467 20 0 CEADMP COCCC1(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CCCCC1 ZINC000194541714 292300938 /nfs/dbraw/zinc/30/09/38/292300938.db2.gz WUDGBCYSUUJCHD-IYBDPMFKSA-N 2 1 280.456 2.467 20 0 CEADMP COc1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000269984011 154151263 /nfs/dbraw/zinc/15/12/63/154151263.db2.gz RSWQJYOYGMQXCZ-HOTGVXAUSA-N 2 1 274.408 2.454 20 0 CEADMP C[N@@H+](Cc1cccc2c1NCC2)C[C@@H]1CCC[NH+](C)C1 ZINC000346813972 154298433 /nfs/dbraw/zinc/29/84/33/154298433.db2.gz BHRNDVHNMXMXIE-CQSZACIVSA-N 2 1 273.424 2.428 20 0 CEADMP C[N@H+](Cc1cccc2c1NCC2)C[C@@H]1CCC[NH+](C)C1 ZINC000346813972 154298438 /nfs/dbraw/zinc/29/84/38/154298438.db2.gz BHRNDVHNMXMXIE-CQSZACIVSA-N 2 1 273.424 2.428 20 0 CEADMP C[NH+](Cc1cccc2c1NCC2)C[C@@H]1CCC[N@H+](C)C1 ZINC000346813972 154298443 /nfs/dbraw/zinc/29/84/43/154298443.db2.gz BHRNDVHNMXMXIE-CQSZACIVSA-N 2 1 273.424 2.428 20 0 CEADMP C[NH+](Cc1cccc2c1NCC2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000346813972 154298447 /nfs/dbraw/zinc/29/84/47/154298447.db2.gz BHRNDVHNMXMXIE-CQSZACIVSA-N 2 1 273.424 2.428 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000349115463 154311593 /nfs/dbraw/zinc/31/15/93/154311593.db2.gz CZBCTRLMRHLLGG-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000349115463 154311600 /nfs/dbraw/zinc/31/16/00/154311600.db2.gz CZBCTRLMRHLLGG-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000349115463 154311605 /nfs/dbraw/zinc/31/16/05/154311605.db2.gz CZBCTRLMRHLLGG-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@]2(C)CCCC[C@H]2O)s1 ZINC000352753568 154331922 /nfs/dbraw/zinc/33/19/22/154331922.db2.gz FLEARNYUUDKSHC-HIFRSBDPSA-N 2 1 297.468 2.236 20 0 CEADMP COc1ccc2oc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000359454570 155021710 /nfs/dbraw/zinc/02/17/10/155021710.db2.gz BRPINOAZBKZTCE-BETUJISGSA-N 2 1 272.348 2.093 20 0 CEADMP COc1ccc2oc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000359454570 155021714 /nfs/dbraw/zinc/02/17/14/155021714.db2.gz BRPINOAZBKZTCE-BETUJISGSA-N 2 1 272.348 2.093 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)cn1 ZINC000359697630 155114040 /nfs/dbraw/zinc/11/40/40/155114040.db2.gz SYUFOYFRUWOYEW-INIZCTEOSA-N 2 1 290.455 2.359 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)cn1 ZINC000359697630 155114043 /nfs/dbraw/zinc/11/40/43/155114043.db2.gz SYUFOYFRUWOYEW-INIZCTEOSA-N 2 1 290.455 2.359 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363950785 156051919 /nfs/dbraw/zinc/05/19/19/156051919.db2.gz QYERMDFFPJDAEL-UKPHBRMFSA-N 2 1 289.423 2.462 20 0 CEADMP CCc1noc(C)c1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363950785 156051920 /nfs/dbraw/zinc/05/19/20/156051920.db2.gz QYERMDFFPJDAEL-UKPHBRMFSA-N 2 1 289.423 2.462 20 0 CEADMP CCc1noc(C)c1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363950785 156051922 /nfs/dbraw/zinc/05/19/22/156051922.db2.gz QYERMDFFPJDAEL-UKPHBRMFSA-N 2 1 289.423 2.462 20 0 CEADMP CCc1noc(C)c1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363950785 156051923 /nfs/dbraw/zinc/05/19/23/156051923.db2.gz QYERMDFFPJDAEL-UKPHBRMFSA-N 2 1 289.423 2.462 20 0 CEADMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@H]1CCOC1)CC2)C1CC1 ZINC000367311799 156167321 /nfs/dbraw/zinc/16/73/21/156167321.db2.gz ZWTXGGDEJRCGMM-HUUCEWRRSA-N 2 1 278.440 2.219 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367597981 156212862 /nfs/dbraw/zinc/21/28/62/156212862.db2.gz CUOHOBCDGXZVCM-TZMCWYRMSA-N 2 1 262.401 2.109 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367597981 156212866 /nfs/dbraw/zinc/21/28/66/156212866.db2.gz CUOHOBCDGXZVCM-TZMCWYRMSA-N 2 1 262.401 2.109 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(CO)c2)[C@@H]2CCC[C@H]21 ZINC000367609842 156214232 /nfs/dbraw/zinc/21/42/32/156214232.db2.gz XYOUQOOGODSUQY-YESZJQIVSA-N 2 1 274.408 2.141 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(CO)c2)[C@H]2CCC[C@@H]21 ZINC000367609839 156214355 /nfs/dbraw/zinc/21/43/55/156214355.db2.gz XYOUQOOGODSUQY-IKGGRYGDSA-N 2 1 274.408 2.141 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367614532 156219755 /nfs/dbraw/zinc/21/97/55/156219755.db2.gz HGVRGSSRAVZFFD-ZDUSSCGKSA-N 2 1 250.390 2.109 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4COC4)[C@H]3C2)cc1 ZINC000367685307 156225683 /nfs/dbraw/zinc/22/56/83/156225683.db2.gz KEFWCAXZMMNJIO-RYQLBKOJSA-N 2 1 286.419 2.276 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4COC4)[C@H]3C2)cc1 ZINC000367685307 156225687 /nfs/dbraw/zinc/22/56/87/156225687.db2.gz KEFWCAXZMMNJIO-RYQLBKOJSA-N 2 1 286.419 2.276 20 0 CEADMP CN(C)c1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367755174 156234794 /nfs/dbraw/zinc/23/47/94/156234794.db2.gz OACCZKDJNZMKIK-ARFHVFGLSA-N 2 1 288.439 2.110 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000368404583 156337750 /nfs/dbraw/zinc/33/77/50/156337750.db2.gz WTKQVISHBGKITH-XHSDSOJGSA-N 2 1 276.424 2.186 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CC(c3ccccn3)C2)CC1 ZINC000368585749 156370932 /nfs/dbraw/zinc/37/09/32/156370932.db2.gz XABFCHNIOSHKTF-UHFFFAOYSA-N 2 1 259.397 2.402 20 0 CEADMP CCn1cc(CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC000375755655 157137302 /nfs/dbraw/zinc/13/73/02/157137302.db2.gz GZZASSYHDKERKU-XYPWUTKMSA-N 2 1 276.428 2.003 20 0 CEADMP CCn1cc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000375755655 157137306 /nfs/dbraw/zinc/13/73/06/157137306.db2.gz GZZASSYHDKERKU-XYPWUTKMSA-N 2 1 276.428 2.003 20 0 CEADMP CCn1cc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000375755655 157137307 /nfs/dbraw/zinc/13/73/07/157137307.db2.gz GZZASSYHDKERKU-XYPWUTKMSA-N 2 1 276.428 2.003 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)c1C ZINC000531965904 298126922 /nfs/dbraw/zinc/12/69/22/298126922.db2.gz SRAFLYMITKNONY-WBMJQRKESA-N 2 1 278.444 2.340 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)c1C ZINC000531965904 298126925 /nfs/dbraw/zinc/12/69/25/298126925.db2.gz SRAFLYMITKNONY-WBMJQRKESA-N 2 1 278.444 2.340 20 0 CEADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000165955756 162347106 /nfs/dbraw/zinc/34/71/06/162347106.db2.gz YBTXUPBTLLMVRT-XJKSGUPXSA-N 2 1 291.439 2.128 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000168680646 162369549 /nfs/dbraw/zinc/36/95/49/162369549.db2.gz CDZJIVBIAQXPBU-NEPJUHHUSA-N 2 1 295.814 2.338 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCOC[C@H]1C ZINC000248818483 298588593 /nfs/dbraw/zinc/58/85/93/298588593.db2.gz BAFSLKNVUIUYGI-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCCC1 ZINC000248182174 287022973 /nfs/dbraw/zinc/02/29/73/287022973.db2.gz WQCFHBCZVXHHJK-ZBFHGGJFSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000169195559 165036625 /nfs/dbraw/zinc/03/66/25/165036625.db2.gz WBDDLKOHOGHBHW-CHWSQXEVSA-N 2 1 266.360 2.264 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000175720747 165145506 /nfs/dbraw/zinc/14/55/06/165145506.db2.gz DJDWFWKWTCETBT-MLGOLLRUSA-N 2 1 278.444 2.199 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000175720747 165145509 /nfs/dbraw/zinc/14/55/09/165145509.db2.gz DJDWFWKWTCETBT-MLGOLLRUSA-N 2 1 278.444 2.199 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000175720747 165145511 /nfs/dbraw/zinc/14/55/11/165145511.db2.gz DJDWFWKWTCETBT-MLGOLLRUSA-N 2 1 278.444 2.199 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(C)c2C)[C@H](C)C1 ZINC000175720747 165145513 /nfs/dbraw/zinc/14/55/13/165145513.db2.gz DJDWFWKWTCETBT-MLGOLLRUSA-N 2 1 278.444 2.199 20 0 CEADMP C([C@@H]1CCCO1)[N@@H+](CC1CC[NH2+]CC1)C1CCCC1 ZINC000178975282 165266647 /nfs/dbraw/zinc/26/66/47/165266647.db2.gz NVAKLFQEUHSDHF-INIZCTEOSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCCCC2)cnn1C ZINC000180016383 165299184 /nfs/dbraw/zinc/29/91/84/165299184.db2.gz JVATXCWCAZUNGP-ZDUSSCGKSA-N 2 1 264.417 2.255 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CCOC1 ZINC000180740011 165321790 /nfs/dbraw/zinc/32/17/90/165321790.db2.gz GGGVRNKZAJRMII-HZPDHXFCSA-N 2 1 296.455 2.036 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3nccn3C)CC2)[nH+]1 ZINC000182985021 165378070 /nfs/dbraw/zinc/37/80/70/165378070.db2.gz GIGLKFXUSZROFM-AWEZNQCLSA-N 2 1 299.422 2.443 20 0 CEADMP c1cn(CCC[N@H+]2CC[C@@H](Nc3ccccc3)C2)cn1 ZINC000183189101 165386720 /nfs/dbraw/zinc/38/67/20/165386720.db2.gz ZORZXUZCPIKZQH-MRXNPFEDSA-N 2 1 270.380 2.460 20 0 CEADMP CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(N)=O ZINC000183153812 165387878 /nfs/dbraw/zinc/38/78/78/165387878.db2.gz FWKLCXHRWSBXHK-IAQYHMDHSA-N 2 1 286.379 2.095 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)[C@H](CC)CN1C(C)=O ZINC000414714612 287183276 /nfs/dbraw/zinc/18/32/76/287183276.db2.gz XRILSNGDOCFCPV-QMCVQRASSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1c[nH+]ccc1OC1CC[NH+](CCC(C)(C)O)CC1 ZINC000284227625 196008566 /nfs/dbraw/zinc/00/85/66/196008566.db2.gz KBVIRUQWHPXJQT-UHFFFAOYSA-N 2 1 278.396 2.394 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000284392655 196046637 /nfs/dbraw/zinc/04/66/37/196046637.db2.gz PHDBCBDQQRLULH-CYBMUJFWSA-N 2 1 276.428 2.206 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000284392655 196046638 /nfs/dbraw/zinc/04/66/38/196046638.db2.gz PHDBCBDQQRLULH-CYBMUJFWSA-N 2 1 276.428 2.206 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000020128804 171016024 /nfs/dbraw/zinc/01/60/24/171016024.db2.gz OUNODWIVRGGPGI-UHFFFAOYSA-N 2 1 290.407 2.439 20 0 CEADMP O[C@@H](C[NH2+]C/C=C/c1ccc(F)c(F)c1)C[NH+]1CCCC1 ZINC000285334523 196253055 /nfs/dbraw/zinc/25/30/55/196253055.db2.gz CDUNYYPKCAXIAV-XGACYXMMSA-N 2 1 296.361 2.024 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+](CCC)C1CC[NH2+]CC1 ZINC000037539125 173260567 /nfs/dbraw/zinc/26/05/67/173260567.db2.gz NWDDNYJCVFKOLT-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCN(CCC)C(=O)C[N@@H+](CCC)C1CC[NH2+]CC1 ZINC000037539125 173260570 /nfs/dbraw/zinc/26/05/70/173260570.db2.gz NWDDNYJCVFKOLT-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP C[N@@H+]1CCN(C(=O)CCC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000070086416 414762485 /nfs/dbraw/zinc/76/24/85/414762485.db2.gz GYVNPECAYQJQIS-HNNXBMFYSA-N 2 1 289.423 2.019 20 0 CEADMP C[N@H+]1CCN(C(=O)CCC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000070086416 414762490 /nfs/dbraw/zinc/76/24/90/414762490.db2.gz GYVNPECAYQJQIS-HNNXBMFYSA-N 2 1 289.423 2.019 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000653872259 414764728 /nfs/dbraw/zinc/76/47/28/414764728.db2.gz SGEBZDVQICNRLX-WCQYABFASA-N 2 1 278.387 2.103 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000660310640 414765024 /nfs/dbraw/zinc/76/50/24/414765024.db2.gz BWZHIPLJNRJNJF-QLFBSQMISA-N 2 1 270.461 2.492 20 0 CEADMP CC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@@H](CC)CO1 ZINC000403773239 414767555 /nfs/dbraw/zinc/76/75/55/414767555.db2.gz DIDOEXOCKSKLBA-GJZGRUSLSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@H]1CCCCO1 ZINC000653874167 414768758 /nfs/dbraw/zinc/76/87/58/414768758.db2.gz CCMFFYOAGRRBND-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP Cc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404365951 414780961 /nfs/dbraw/zinc/78/09/61/414780961.db2.gz HHRWWZCPKXMIOS-GOEBONIOSA-N 2 1 289.423 2.383 20 0 CEADMP Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404365951 414780966 /nfs/dbraw/zinc/78/09/66/414780966.db2.gz HHRWWZCPKXMIOS-GOEBONIOSA-N 2 1 289.423 2.383 20 0 CEADMP CC[C@H]1C[N@H+](CC(=O)N(CC)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000122706668 414792865 /nfs/dbraw/zinc/79/28/65/414792865.db2.gz BOOBJVXEOVGQHT-HOCLYGCPSA-N 2 1 295.471 2.227 20 0 CEADMP CC[C@H]1C[N@@H+](CC(=O)N(CC)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000122706668 414792868 /nfs/dbraw/zinc/79/28/68/414792868.db2.gz BOOBJVXEOVGQHT-HOCLYGCPSA-N 2 1 295.471 2.227 20 0 CEADMP CCO[C@@H]1C[N@H+]([C@@H](C)c2cccc(C)c2)C[C@H]1C[NH3+] ZINC000405553188 414796138 /nfs/dbraw/zinc/79/61/38/414796138.db2.gz ZUINTFONQWSBFF-NUEKZKHPSA-N 2 1 262.397 2.352 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000129077016 414811167 /nfs/dbraw/zinc/81/11/67/414811167.db2.gz YXRSESXPHYZYJM-UKRRQHHQSA-N 2 1 270.380 2.184 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000129077016 414811171 /nfs/dbraw/zinc/81/11/71/414811171.db2.gz YXRSESXPHYZYJM-UKRRQHHQSA-N 2 1 270.380 2.184 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)O1 ZINC000129371367 414811269 /nfs/dbraw/zinc/81/12/69/414811269.db2.gz MOEPWLWJLULBTJ-BARDWOONSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1cc(C)cc(OCC[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000131691233 414818842 /nfs/dbraw/zinc/81/88/42/414818842.db2.gz KCWUSRQXXJGTCR-GJZGRUSLSA-N 2 1 262.397 2.351 20 0 CEADMP C[C@@H](NCc1cnc2n1CCC2)c1ccc2c(c1)OCCO2 ZINC000657291335 414836853 /nfs/dbraw/zinc/83/68/53/414836853.db2.gz YJBYBDYXMLVPJR-GFCCVEGCSA-N 2 1 299.374 2.451 20 0 CEADMP CN(CCC[NH2+]Cc1cnn2c1CCC2)Cc1ccccc1 ZINC000657295405 414838530 /nfs/dbraw/zinc/83/85/30/414838530.db2.gz BQZVJGPPCMTTPT-UHFFFAOYSA-N 2 1 298.434 2.441 20 0 CEADMP Cc1cnc([C@@H](C)N2CCC[C@]3(CC[N@@H+](C)C3)C2)o1 ZINC000660662648 414926029 /nfs/dbraw/zinc/92/60/29/414926029.db2.gz KILQZQMMBQYVFJ-UKRRQHHQSA-N 2 1 263.385 2.462 20 0 CEADMP Cc1cccnc1CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660663407 414926081 /nfs/dbraw/zinc/92/60/81/414926081.db2.gz NXPYMZWFFSHLLP-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cccnc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660663407 414926089 /nfs/dbraw/zinc/92/60/89/414926089.db2.gz NXPYMZWFFSHLLP-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cccnc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660663407 414926094 /nfs/dbraw/zinc/92/60/94/414926094.db2.gz NXPYMZWFFSHLLP-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cccnc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660663407 414926100 /nfs/dbraw/zinc/92/61/00/414926100.db2.gz NXPYMZWFFSHLLP-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cccnc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660663407 414926105 /nfs/dbraw/zinc/92/61/05/414926105.db2.gz NXPYMZWFFSHLLP-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCCN(CCc1cncs1)C2 ZINC000660665719 414928213 /nfs/dbraw/zinc/92/82/13/414928213.db2.gz XMHILJVXKLJOIV-CQSZACIVSA-N 2 1 265.426 2.103 20 0 CEADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1cncs1)C2 ZINC000660665719 414928221 /nfs/dbraw/zinc/92/82/21/414928221.db2.gz XMHILJVXKLJOIV-CQSZACIVSA-N 2 1 265.426 2.103 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1cncs1)C2 ZINC000660665719 414928226 /nfs/dbraw/zinc/92/82/26/414928226.db2.gz XMHILJVXKLJOIV-CQSZACIVSA-N 2 1 265.426 2.103 20 0 CEADMP CC[C@H](CC(F)F)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000660678195 414932190 /nfs/dbraw/zinc/93/21/90/414932190.db2.gz YMGBGOVHGKBJJQ-CYBMUJFWSA-N 2 1 292.414 2.493 20 0 CEADMP C[C@@H](O)CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678610 414933460 /nfs/dbraw/zinc/93/34/60/414933460.db2.gz WVOUOLAUYFRBFZ-CQSZACIVSA-N 2 1 262.397 2.012 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000653176494 414936432 /nfs/dbraw/zinc/93/64/32/414936432.db2.gz WQFUUFMJVXYWJB-INIZCTEOSA-N 2 1 297.487 2.378 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657337376 414868186 /nfs/dbraw/zinc/86/81/86/414868186.db2.gz SKPOFEIHMDZDJR-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657337376 414868192 /nfs/dbraw/zinc/86/81/92/414868192.db2.gz SKPOFEIHMDZDJR-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP CN(CCC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)CC[NH+](C)C ZINC000660560024 414875206 /nfs/dbraw/zinc/87/52/06/414875206.db2.gz JIQQSYBPLLQXQQ-ZACQAIPSSA-N 2 1 281.488 2.238 20 0 CEADMP CCCn1nccc1C[NH2+]CCCCn1cc[nH+]c1C ZINC000657374002 414895372 /nfs/dbraw/zinc/89/53/72/414895372.db2.gz CVDYFZVSRQMOGH-UHFFFAOYSA-N 2 1 275.400 2.368 20 0 CEADMP CC(C)n1ccnc1CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000657448567 414942578 /nfs/dbraw/zinc/94/25/78/414942578.db2.gz LNFAVLUATGZOHI-HNNXBMFYSA-N 2 1 294.443 2.055 20 0 CEADMP C[C@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000663497752 414972452 /nfs/dbraw/zinc/97/24/52/414972452.db2.gz JTJHBUCBUQSSMO-BARLLCKDSA-N 2 1 299.462 2.381 20 0 CEADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000663504301 414976207 /nfs/dbraw/zinc/97/62/07/414976207.db2.gz YRWSBUPBPINCLP-RBSFLKMASA-N 3 1 255.450 2.260 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000657526259 414989608 /nfs/dbraw/zinc/98/96/08/414989608.db2.gz FEBOYGFGHJXQQG-RRFJBIMHSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657526259 414989612 /nfs/dbraw/zinc/98/96/12/414989612.db2.gz FEBOYGFGHJXQQG-RRFJBIMHSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657526259 414989617 /nfs/dbraw/zinc/98/96/17/414989617.db2.gz FEBOYGFGHJXQQG-RRFJBIMHSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)N1CC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657526259 414989620 /nfs/dbraw/zinc/98/96/20/414989620.db2.gz FEBOYGFGHJXQQG-RRFJBIMHSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)N1CC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657526259 414989624 /nfs/dbraw/zinc/98/96/24/414989624.db2.gz FEBOYGFGHJXQQG-RRFJBIMHSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@H](CC(F)(F)F)C1 ZINC000660829268 414993235 /nfs/dbraw/zinc/99/32/35/414993235.db2.gz CHFJSBUBPGTTFE-CHWSQXEVSA-N 2 1 296.377 2.352 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@@H]([NH3+])C1CCC1)C1CCCCC1 ZINC000653200444 414944569 /nfs/dbraw/zinc/94/45/69/414944569.db2.gz FFDCYPVJONOUNR-INIZCTEOSA-N 2 1 295.471 2.275 20 0 CEADMP COCCc1cc[nH+]c(NCc2cnc3n2CCC3)c1 ZINC000657464694 414950646 /nfs/dbraw/zinc/95/06/46/414950646.db2.gz RDVVVELMWQWHNX-UHFFFAOYSA-N 2 1 272.352 2.025 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCCO1 ZINC000663466900 414962194 /nfs/dbraw/zinc/96/21/94/414962194.db2.gz YGBWGBIRMFNVKY-IMJJTQAJSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H](C(=O)NCC[N@H+]1CCCC1(C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000654535541 414962536 /nfs/dbraw/zinc/96/25/36/414962536.db2.gz LGUYTRZODDUPSX-RBSFLKMASA-N 2 1 295.471 2.238 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2cccc(C)c2)C1 ZINC000653612945 415052799 /nfs/dbraw/zinc/05/27/99/415052799.db2.gz NTAWVTBGEVTYEK-DLBZAZTESA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000653612945 415052804 /nfs/dbraw/zinc/05/28/04/415052804.db2.gz NTAWVTBGEVTYEK-DLBZAZTESA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000653612945 415052807 /nfs/dbraw/zinc/05/28/07/415052807.db2.gz NTAWVTBGEVTYEK-DLBZAZTESA-N 2 1 276.424 2.097 20 0 CEADMP COC[C@@H]1CCCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000653618885 415055108 /nfs/dbraw/zinc/05/51/08/415055108.db2.gz ZXHFIEBCXIYBPP-CQSZACIVSA-N 2 1 265.401 2.101 20 0 CEADMP COC[C@@H]1CCCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000653618885 415055111 /nfs/dbraw/zinc/05/51/11/415055111.db2.gz ZXHFIEBCXIYBPP-CQSZACIVSA-N 2 1 265.401 2.101 20 0 CEADMP C[C@@H](CCN1CC[NH+](C)CC1)Nc1[nH+]ccc2[nH]ccc21 ZINC000663812249 415055406 /nfs/dbraw/zinc/05/54/06/415055406.db2.gz LFTXSYHBMNNQRF-ZDUSSCGKSA-N 2 1 287.411 2.001 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccccc2C)CCC1 ZINC000653776779 415100842 /nfs/dbraw/zinc/10/08/42/415100842.db2.gz OOUXOMXIWHWUSE-OAHLLOKOSA-N 2 1 276.424 2.276 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccccc2C)CCC1 ZINC000653776779 415100844 /nfs/dbraw/zinc/10/08/44/415100844.db2.gz OOUXOMXIWHWUSE-OAHLLOKOSA-N 2 1 276.424 2.276 20 0 CEADMP FCC1(CF)CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000657840138 415101347 /nfs/dbraw/zinc/10/13/47/415101347.db2.gz MJNXKDQNRMVKQL-YPMHNXCESA-N 2 1 258.356 2.291 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657861284 415106695 /nfs/dbraw/zinc/10/66/95/415106695.db2.gz ICMZPGJRJAUHQA-GFCCVEGCSA-N 2 1 260.372 2.396 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657873430 415110862 /nfs/dbraw/zinc/11/08/62/415110862.db2.gz SZVJLFXYNMWEKF-HUUCEWRRSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCSCC2)CCCO1 ZINC000657992153 415147524 /nfs/dbraw/zinc/14/75/24/415147524.db2.gz CLEVIAVBPNJAKG-LSDHHAIUSA-N 2 1 286.485 2.363 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000043325419 175007121 /nfs/dbraw/zinc/00/71/21/175007121.db2.gz DXJVAKPDZSDAPM-AWEZNQCLSA-N 2 1 297.443 2.070 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CCC[NH+](CC)CC)cn1 ZINC000044494698 175182097 /nfs/dbraw/zinc/18/20/97/175182097.db2.gz IDUXBZKCVYBARS-ZDUSSCGKSA-N 2 1 252.406 2.286 20 0 CEADMP C[C@H](C[NH2+][C@H](C)c1cnn(C)c1)C[NH+]1CCCCC1 ZINC000044499881 175185475 /nfs/dbraw/zinc/18/54/75/175185475.db2.gz VHKAHRWNQWHVAD-ZIAGYGMSSA-N 2 1 264.417 2.193 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000044529576 175194300 /nfs/dbraw/zinc/19/43/00/175194300.db2.gz WQBGBOXLBAEZGJ-OAHLLOKOSA-N 2 1 262.397 2.353 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000044531535 175195978 /nfs/dbraw/zinc/19/59/78/175195978.db2.gz NMZOLACSKJAJHO-ZDUSSCGKSA-N 2 1 250.411 2.449 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000661490855 415288089 /nfs/dbraw/zinc/28/80/89/415288089.db2.gz FTWKRRYEMRNWRH-HUUCEWRRSA-N 2 1 256.434 2.201 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000658339614 415325873 /nfs/dbraw/zinc/32/58/73/415325873.db2.gz KXNLGMJWCAVWQO-MVJTYMMSSA-N 2 1 290.451 2.471 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000658339612 415326877 /nfs/dbraw/zinc/32/68/77/415326877.db2.gz KXNLGMJWCAVWQO-LMSBXDPUSA-N 2 1 290.451 2.471 20 0 CEADMP CN(C[C@H](O)C[N@H+]1CC[C@@H](C2CCCCC2)C1)C1CC1 ZINC000661579596 415335283 /nfs/dbraw/zinc/33/52/83/415335283.db2.gz XWWXSTCIQWXUGH-WBVHZDCISA-N 2 1 280.456 2.344 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](C2CCCCC2)C1)C1CC1 ZINC000661579596 415335287 /nfs/dbraw/zinc/33/52/87/415335287.db2.gz XWWXSTCIQWXUGH-WBVHZDCISA-N 2 1 280.456 2.344 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](C2CCCCC2)C1)C1CC1 ZINC000661579596 415335295 /nfs/dbraw/zinc/33/52/95/415335295.db2.gz XWWXSTCIQWXUGH-WBVHZDCISA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](C2CCCCC2)C1)C1CC1 ZINC000661579596 415335298 /nfs/dbraw/zinc/33/52/98/415335298.db2.gz XWWXSTCIQWXUGH-WBVHZDCISA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](C2CCCCC2)C1)C1CC1 ZINC000661579596 415335305 /nfs/dbraw/zinc/33/53/05/415335305.db2.gz XWWXSTCIQWXUGH-WBVHZDCISA-N 2 1 280.456 2.344 20 0 CEADMP C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)COCC1CC1 ZINC000655697971 415395562 /nfs/dbraw/zinc/39/55/62/415395562.db2.gz SJFABUROAMLJQC-QGZVFWFLSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000655701281 415397702 /nfs/dbraw/zinc/39/77/02/415397702.db2.gz QYVILDRIJVYKSL-CJNGLKHVSA-N 2 1 266.429 2.266 20 0 CEADMP CCCC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655733911 415418735 /nfs/dbraw/zinc/41/87/35/415418735.db2.gz VAMUNQDONLCFAW-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP FC1(F)CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655735436 415423458 /nfs/dbraw/zinc/42/34/58/415423458.db2.gz VKWBCLAKEDWAFU-UONOGXRCSA-N 2 1 288.382 2.407 20 0 CEADMP CCCCOCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655679856 415381889 /nfs/dbraw/zinc/38/18/89/415381889.db2.gz GGEOLXZMWJRGLD-QGZVFWFLSA-N 2 1 298.471 2.426 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664864788 415501870 /nfs/dbraw/zinc/50/18/70/415501870.db2.gz CKMUWDSEJYUKSC-AWEZNQCLSA-N 2 1 276.428 2.278 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664864788 415501876 /nfs/dbraw/zinc/50/18/76/415501876.db2.gz CKMUWDSEJYUKSC-AWEZNQCLSA-N 2 1 276.428 2.278 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664864788 415501882 /nfs/dbraw/zinc/50/18/82/415501882.db2.gz CKMUWDSEJYUKSC-AWEZNQCLSA-N 2 1 276.428 2.278 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664864788 415501887 /nfs/dbraw/zinc/50/18/87/415501887.db2.gz CKMUWDSEJYUKSC-AWEZNQCLSA-N 2 1 276.428 2.278 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CS1 ZINC000655758614 415441745 /nfs/dbraw/zinc/44/17/45/415441745.db2.gz BQLLJEKHEMFAQB-KFWWJZLASA-N 2 1 286.485 2.361 20 0 CEADMP CCOC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC000655760378 415442742 /nfs/dbraw/zinc/44/27/42/415442742.db2.gz OOJDNUKAADUZJU-DLBZAZTESA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655774739 415455072 /nfs/dbraw/zinc/45/50/72/415455072.db2.gz FVZKGPKULHMXSA-YESZJQIVSA-N 2 1 296.455 2.175 20 0 CEADMP CO[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)CC(C)C ZINC000655777323 415459567 /nfs/dbraw/zinc/45/95/67/415459567.db2.gz TXIUOASJRNRZFS-DLBZAZTESA-N 2 1 298.471 2.281 20 0 CEADMP CCC[C@H](C)[C@@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655792544 415472684 /nfs/dbraw/zinc/47/26/84/415472684.db2.gz LAMQQLALSSCXCQ-BHYGNILZSA-N 2 1 298.471 2.017 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000655834639 415508115 /nfs/dbraw/zinc/50/81/15/415508115.db2.gz QJJXFLQLDOOXKI-XLNGHYISSA-N 2 1 273.424 2.475 20 0 CEADMP O[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000655839978 415511462 /nfs/dbraw/zinc/51/14/62/415511462.db2.gz AWGXZGZNTBCUAU-ROUUACIJSA-N 2 1 286.419 2.109 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661874524 415516681 /nfs/dbraw/zinc/51/66/81/415516681.db2.gz JVZFZFXZJWFDNR-HZPDHXFCSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661874524 415516685 /nfs/dbraw/zinc/51/66/85/415516685.db2.gz JVZFZFXZJWFDNR-HZPDHXFCSA-N 2 1 277.412 2.473 20 0 CEADMP CCC(C)(C)[NH+]1CCN([C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000656199912 415632731 /nfs/dbraw/zinc/63/27/31/415632731.db2.gz GLJQLVBOUQYADI-ARFHVFGLSA-N 2 1 279.472 2.181 20 0 CEADMP COc1cccc2c1OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000656201904 415636448 /nfs/dbraw/zinc/63/64/48/415636448.db2.gz UYYJMCHAAPXKST-RLCAUIQDSA-N 2 1 288.391 2.391 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C12CCCCC2 ZINC000665242565 415645101 /nfs/dbraw/zinc/64/51/01/415645101.db2.gz BEDNBIOIAWJAED-MJBXVCDLSA-N 2 1 252.402 2.066 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252556 415650238 /nfs/dbraw/zinc/65/02/38/415650238.db2.gz SJSJBHSFLIPPPX-MWQQHZPXSA-N 2 1 274.408 2.147 20 0 CEADMP O[C@H]1CC[N@@H+](C2CC[NH+]([C@H]3CCc4ccccc43)CC2)C1 ZINC000662152737 415657372 /nfs/dbraw/zinc/65/73/72/415657372.db2.gz YRDJFEYRVNEWLL-WMZOPIPTSA-N 2 1 286.419 2.205 20 0 CEADMP O[C@H]1CC[N@H+](C2CC[NH+]([C@H]3CCc4ccccc43)CC2)C1 ZINC000662152737 415657377 /nfs/dbraw/zinc/65/73/77/415657377.db2.gz YRDJFEYRVNEWLL-WMZOPIPTSA-N 2 1 286.419 2.205 20 0 CEADMP CCc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662154247 415661447 /nfs/dbraw/zinc/66/14/47/415661447.db2.gz GFDOVZBGFNPKCU-SFHVURJKSA-N 2 1 288.435 2.280 20 0 CEADMP CCc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662154247 415661454 /nfs/dbraw/zinc/66/14/54/415661454.db2.gz GFDOVZBGFNPKCU-SFHVURJKSA-N 2 1 288.435 2.280 20 0 CEADMP Cc1cccc(C)c1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154991 415661517 /nfs/dbraw/zinc/66/15/17/415661517.db2.gz HYXRBHMYHHFGCE-QGZVFWFLSA-N 2 1 288.435 2.334 20 0 CEADMP Cc1cccc(C)c1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154991 415661522 /nfs/dbraw/zinc/66/15/22/415661522.db2.gz HYXRBHMYHHFGCE-QGZVFWFLSA-N 2 1 288.435 2.334 20 0 CEADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283963 415671859 /nfs/dbraw/zinc/67/18/59/415671859.db2.gz XWUIIZQGUYXFKQ-BPLDGKMQSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c2ccccc21 ZINC000665291102 415679661 /nfs/dbraw/zinc/67/96/61/415679661.db2.gz USGLLKRETUMYJU-ABAIWWIYSA-N 2 1 298.390 2.369 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000665297445 415684747 /nfs/dbraw/zinc/68/47/47/415684747.db2.gz GAHCJTKBNFKWBD-XQQFMLRXSA-N 2 1 280.412 2.393 20 0 CEADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300082 415689190 /nfs/dbraw/zinc/68/91/90/415689190.db2.gz YARAKZNLSZITKD-SJORKVTESA-N 2 1 279.472 2.358 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000071146424 176042992 /nfs/dbraw/zinc/04/29/92/176042992.db2.gz GIKRDXAOGSRRII-AWEZNQCLSA-N 2 1 278.396 2.005 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H](C)O1 ZINC000662254407 415720185 /nfs/dbraw/zinc/72/01/85/415720185.db2.gz QGBOBSMNOIJDNX-CJNGLKHVSA-N 2 1 274.408 2.332 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(N(C)C3CC3)n2)CC1 ZINC000662244121 415708625 /nfs/dbraw/zinc/70/86/25/415708625.db2.gz CBYYMESNXGMBOA-LLVKDONJSA-N 2 1 294.468 2.301 20 0 CEADMP COc1ccc([C@H](C)[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249517 415710709 /nfs/dbraw/zinc/71/07/09/415710709.db2.gz WAOHRHSXKYLOGI-XJKSGUPXSA-N 2 1 290.407 2.209 20 0 CEADMP CC[C@H]([NH3+])c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455344 415714172 /nfs/dbraw/zinc/71/41/72/415714172.db2.gz DLOHFCSNNXHMPN-CABCVRRESA-N 2 1 285.395 2.135 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1CCC1 ZINC000662274135 415740500 /nfs/dbraw/zinc/74/05/00/415740500.db2.gz FDCOQBGGOKBYLR-HRCADAONSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H](c1ccccc1)[C@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000656499974 415741117 /nfs/dbraw/zinc/74/11/17/415741117.db2.gz LUTLWGRGYOMQFE-KSSFIOAISA-N 2 1 288.435 2.367 20 0 CEADMP COc1cccc(SCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000662274383 415742620 /nfs/dbraw/zinc/74/26/20/415742620.db2.gz SSDUVOUTEFOYGN-CZUORRHYSA-N 2 1 292.448 2.471 20 0 CEADMP COc1cccc(SCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000662274383 415742624 /nfs/dbraw/zinc/74/26/24/415742624.db2.gz SSDUVOUTEFOYGN-CZUORRHYSA-N 2 1 292.448 2.471 20 0 CEADMP CC(C)[N@@H+](CC1CCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662280471 415749834 /nfs/dbraw/zinc/74/98/34/415749834.db2.gz FBTGISTXLJOGON-CQSZACIVSA-N 2 1 252.402 2.018 20 0 CEADMP CO[C@@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)C1CCC1 ZINC000662277981 415745423 /nfs/dbraw/zinc/74/54/23/415745423.db2.gz VQZGRALDJDBBSI-GJZGRUSLSA-N 2 1 254.418 2.299 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C1CCCC1 ZINC000662278523 415746549 /nfs/dbraw/zinc/74/65/49/415746549.db2.gz ZCTLQASJCNXYSV-DDHJSBNISA-N 2 1 254.418 2.168 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCC2(CCCC2)CC1 ZINC000662299422 415760973 /nfs/dbraw/zinc/76/09/73/415760973.db2.gz PLEMXOBQISEHRV-CQSZACIVSA-N 2 1 254.418 2.003 20 0 CEADMP [NH3+]CC12CC(C1)C[N@@H+]2CCCCC1CCOCC1 ZINC000662306151 415768162 /nfs/dbraw/zinc/76/81/62/415768162.db2.gz OVXZPAOCUCQXBO-UHFFFAOYSA-N 2 1 252.402 2.006 20 0 CEADMP [NH3+]CC12CC(C1)C[N@H+]2CCCCC1CCOCC1 ZINC000662306151 415768169 /nfs/dbraw/zinc/76/81/69/415768169.db2.gz OVXZPAOCUCQXBO-UHFFFAOYSA-N 2 1 252.402 2.006 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2nccs2)[C@@H]1CCC[NH3+] ZINC000662315675 415773698 /nfs/dbraw/zinc/77/36/98/415773698.db2.gz IKICZGVMGOEAOA-VXGBXAGGSA-N 2 1 253.415 2.483 20 0 CEADMP C[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)[C@@H]1CCC[NH3+] ZINC000662314056 415774647 /nfs/dbraw/zinc/77/46/47/415774647.db2.gz LWNMXYJRUWRXFP-DGCLKSJQSA-N 2 1 278.400 2.286 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)[C@@H]1CCC[NH3+] ZINC000662314056 415774654 /nfs/dbraw/zinc/77/46/54/415774654.db2.gz LWNMXYJRUWRXFP-DGCLKSJQSA-N 2 1 278.400 2.286 20 0 CEADMP CN(c1nc(C[NH+]2CCC(CC[NH3+])CC2)cs1)C1CC1 ZINC000662285011 415752887 /nfs/dbraw/zinc/75/28/87/415752887.db2.gz UBONQQIRKYMOMC-UHFFFAOYSA-N 2 1 294.468 2.303 20 0 CEADMP c1ccc(COCC[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000662283850 415753227 /nfs/dbraw/zinc/75/32/27/415753227.db2.gz QKSFLTYYYNTIHD-UHFFFAOYSA-N 2 1 260.381 2.031 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(C3CC3)no2)C[C@H]1C[NH3+] ZINC000662284076 415753922 /nfs/dbraw/zinc/75/39/22/415753922.db2.gz SRQJSHHEQAISEQ-NQBHXWOUSA-N 2 1 263.385 2.357 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1C[NH3+] ZINC000662284076 415753926 /nfs/dbraw/zinc/75/39/26/415753926.db2.gz SRQJSHHEQAISEQ-NQBHXWOUSA-N 2 1 263.385 2.357 20 0 CEADMP CC(C)n1ncnc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292642 415755564 /nfs/dbraw/zinc/75/55/64/415755564.db2.gz GTCQZPSSMNFQRG-HNNXBMFYSA-N 2 1 291.443 2.071 20 0 CEADMP CCCCNC(=O)CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293164 415755792 /nfs/dbraw/zinc/75/57/92/415755792.db2.gz KEXWHWPXLDTMBA-INIZCTEOSA-N 2 1 295.471 2.004 20 0 CEADMP CCOc1ccccc1NC(=O)CC[N@H+](C)CC(C)(C)[NH3+] ZINC000662293265 415756252 /nfs/dbraw/zinc/75/62/52/415756252.db2.gz FJUFKIRVLTZHGU-UHFFFAOYSA-N 2 1 293.411 2.083 20 0 CEADMP CCOc1ccccc1NC(=O)CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000662293265 415756254 /nfs/dbraw/zinc/75/62/54/415756254.db2.gz FJUFKIRVLTZHGU-UHFFFAOYSA-N 2 1 293.411 2.083 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCN(C)[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000659920389 415781194 /nfs/dbraw/zinc/78/11/94/415781194.db2.gz OSZRTLNLYQHQMN-INMHGKMJSA-N 2 1 279.472 2.133 20 0 CEADMP CC/C=C\CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325803 415782428 /nfs/dbraw/zinc/78/24/28/415782428.db2.gz PYYWLTAYFKEBPT-IYKSTZQJSA-N 2 1 254.418 2.385 20 0 CEADMP FC(F)(F)C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000662325968 415782522 /nfs/dbraw/zinc/78/25/22/415782522.db2.gz MSZXQCORUYCYGH-ZDUSSCGKSA-N 2 1 294.361 2.419 20 0 CEADMP FC(F)(F)C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000662325968 415782525 /nfs/dbraw/zinc/78/25/25/415782525.db2.gz MSZXQCORUYCYGH-ZDUSSCGKSA-N 2 1 294.361 2.419 20 0 CEADMP C(C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3)[C@@H]1CCC[NH2+]C1 ZINC000662327100 415784233 /nfs/dbraw/zinc/78/42/33/415784233.db2.gz JEHNOQQRBQHLEZ-YESZJQIVSA-N 2 1 278.440 2.269 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)C1CCCCC1 ZINC000659925353 415784536 /nfs/dbraw/zinc/78/45/36/415784536.db2.gz IKJVHEBOSCNXLA-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP C[N@@H+](C[C@@H](O)CN[C@@]1(c2ccccc2)CC1(C)C)C1CC1 ZINC000662340861 415790062 /nfs/dbraw/zinc/79/00/62/415790062.db2.gz NTNHZTLNLMNMKF-FUHWJXTLSA-N 2 1 288.435 2.357 20 0 CEADMP CN(C[C@@H](O)C[NH2+][C@@]1(c2ccccc2)CC1(C)C)C1CC1 ZINC000662340861 415790067 /nfs/dbraw/zinc/79/00/67/415790067.db2.gz NTNHZTLNLMNMKF-FUHWJXTLSA-N 2 1 288.435 2.357 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(=O)NCC(C)C)C[C@H]1C ZINC000659982985 415827307 /nfs/dbraw/zinc/82/73/07/415827307.db2.gz AZIXUHZBLHVCMB-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC(=O)NCC(C)C)C[C@H]1C ZINC000659982985 415827309 /nfs/dbraw/zinc/82/73/09/415827309.db2.gz AZIXUHZBLHVCMB-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC(=O)NCC(C)C)C[C@H]1C ZINC000659982985 415827314 /nfs/dbraw/zinc/82/73/14/415827314.db2.gz AZIXUHZBLHVCMB-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCO[C@@H]2CC2(F)F)C[C@H]1C ZINC000659983674 415827781 /nfs/dbraw/zinc/82/77/81/415827781.db2.gz SHELUPMRGLLFTC-FRRDWIJNSA-N 2 1 276.371 2.215 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCO[C@@H]2CC2(F)F)C[C@H]1C ZINC000659983674 415827783 /nfs/dbraw/zinc/82/77/83/415827783.db2.gz SHELUPMRGLLFTC-FRRDWIJNSA-N 2 1 276.371 2.215 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO[C@@H]2CC2(F)F)C[C@H]1C ZINC000659983674 415827788 /nfs/dbraw/zinc/82/77/88/415827788.db2.gz SHELUPMRGLLFTC-FRRDWIJNSA-N 2 1 276.371 2.215 20 0 CEADMP CC(C)[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1CCCC1 ZINC000660061990 415867821 /nfs/dbraw/zinc/86/78/21/415867821.db2.gz PNJHEPMKRUTWPV-OAHLLOKOSA-N 2 1 256.434 2.341 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C(C)C)C1CCCC1 ZINC000660061990 415867826 /nfs/dbraw/zinc/86/78/26/415867826.db2.gz PNJHEPMKRUTWPV-OAHLLOKOSA-N 2 1 256.434 2.341 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C(C)C)C1CCCC1 ZINC000660061990 415867829 /nfs/dbraw/zinc/86/78/29/415867829.db2.gz PNJHEPMKRUTWPV-OAHLLOKOSA-N 2 1 256.434 2.341 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662532956 415876914 /nfs/dbraw/zinc/87/69/14/415876914.db2.gz XWKRINXFILTRLZ-ZDUSSCGKSA-N 2 1 289.423 2.140 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1COC(C)(C)C1 ZINC000660117973 415890925 /nfs/dbraw/zinc/89/09/25/415890925.db2.gz QWCSAXNMKBGTNZ-CYBMUJFWSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1COC(C)(C)C1 ZINC000660117973 415890930 /nfs/dbraw/zinc/89/09/30/415890930.db2.gz QWCSAXNMKBGTNZ-CYBMUJFWSA-N 2 1 251.374 2.081 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C2(CCC2)C1 ZINC000660167794 415912042 /nfs/dbraw/zinc/91/20/42/415912042.db2.gz OHCMXNIGLGKSFN-GJZGRUSLSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000660167794 415912045 /nfs/dbraw/zinc/91/20/45/415912045.db2.gz OHCMXNIGLGKSFN-GJZGRUSLSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000660167794 415912048 /nfs/dbraw/zinc/91/20/48/415912048.db2.gz OHCMXNIGLGKSFN-GJZGRUSLSA-N 2 1 268.445 2.200 20 0 CEADMP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000662461020 415853091 /nfs/dbraw/zinc/85/30/91/415853091.db2.gz XSYAOELLOLKOGN-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP CCn1nccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783624 415860259 /nfs/dbraw/zinc/86/02/59/415860259.db2.gz RKXQQBFPAONAEK-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000656789348 415863343 /nfs/dbraw/zinc/86/33/43/415863343.db2.gz NHGHJBGPEOBNJR-CYGHRXIMSA-N 3 1 287.451 2.110 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662682982 415931115 /nfs/dbraw/zinc/93/11/15/415931115.db2.gz MFRMWDCBEWPCIC-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](CC)[NH2+]C)c2C1 ZINC000662705554 415936432 /nfs/dbraw/zinc/93/64/32/415936432.db2.gz OMAIGSKPVMFDFT-CQSZACIVSA-N 2 1 275.396 2.349 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](CC)[NH2+]C)c2C1 ZINC000662705554 415936438 /nfs/dbraw/zinc/93/64/38/415936438.db2.gz OMAIGSKPVMFDFT-CQSZACIVSA-N 2 1 275.396 2.349 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)C2 ZINC000666770711 419425215 /nfs/dbraw/zinc/42/52/15/419425215.db2.gz SONAXSANDWSCJR-LSDHHAIUSA-N 2 1 274.408 2.284 20 0 CEADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000124510895 419427225 /nfs/dbraw/zinc/42/72/25/419427225.db2.gz WUPAUJUJFWTOGL-GJZGRUSLSA-N 2 1 262.397 2.494 20 0 CEADMP COc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1F ZINC000666774684 419429306 /nfs/dbraw/zinc/42/93/06/419429306.db2.gz RZALRHUMLNDCRJ-NWDGAFQWSA-N 2 1 266.360 2.312 20 0 CEADMP CC(C)n1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000666998476 419507403 /nfs/dbraw/zinc/50/74/03/419507403.db2.gz WDPKGTNNGRJKEA-CQSZACIVSA-N 2 1 262.401 2.228 20 0 CEADMP CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1CCOC1 ZINC000667516791 419700756 /nfs/dbraw/zinc/70/07/56/419700756.db2.gz INDCVHXCPWLJTE-CQSZACIVSA-N 2 1 286.379 2.126 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](Cc3ccncc3)C2)CC[NH2+]1 ZINC000666693945 419777576 /nfs/dbraw/zinc/77/75/76/419777576.db2.gz NNYGGOQTQUDWLR-OIISXLGYSA-N 2 1 273.424 2.334 20 0 CEADMP Cc1cccc2[nH]c(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc21 ZINC000667712346 419777987 /nfs/dbraw/zinc/77/79/87/419777987.db2.gz CUNFRZIUEHHVKR-CHWSQXEVSA-N 2 1 255.365 2.128 20 0 CEADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000667732739 419785070 /nfs/dbraw/zinc/78/50/70/419785070.db2.gz RDCPTBJDWQRDCE-HNNXBMFYSA-N 2 1 290.411 2.093 20 0 CEADMP C[N@@H+](CCN[C@@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000517589077 260196971 /nfs/dbraw/zinc/19/69/71/260196971.db2.gz YDGANCKVVSUTNN-UONOGXRCSA-N 2 1 253.434 2.110 20 0 CEADMP CC[NH+](CC)CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000517677500 260206646 /nfs/dbraw/zinc/20/66/46/260206646.db2.gz AIFXNEXKYLMZTH-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP Cc1cnccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000521186597 260358253 /nfs/dbraw/zinc/35/82/53/260358253.db2.gz VQYIAIQUJRZXQL-IXDOHACOSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cnccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000521186597 260358254 /nfs/dbraw/zinc/35/82/54/260358254.db2.gz VQYIAIQUJRZXQL-IXDOHACOSA-N 2 1 289.423 2.074 20 0 CEADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCC[N@H+]1C ZINC000427469339 260744154 /nfs/dbraw/zinc/74/41/54/260744154.db2.gz LMWMGWYNNIIAAV-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)Cc1cnccn1)[NH+](C)C ZINC000453085503 263186289 /nfs/dbraw/zinc/18/62/89/263186289.db2.gz OATMVQYMANIONP-XJKSGUPXSA-N 2 1 278.444 2.364 20 0 CEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccccc1F ZINC000430541481 263204062 /nfs/dbraw/zinc/20/40/62/263204062.db2.gz BFASKUQQADOCIJ-OAHLLOKOSA-N 2 1 281.375 2.117 20 0 CEADMP COC1([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)CCOCC1 ZINC000453390149 263260282 /nfs/dbraw/zinc/26/02/82/263260282.db2.gz CZIARCMZXVKUFN-AWEZNQCLSA-N 2 1 284.444 2.035 20 0 CEADMP COc1ccc(OCCC[NH2+][C@](C)(C[NH3+])C2CC2)cc1 ZINC000430569090 263296731 /nfs/dbraw/zinc/29/67/31/263296731.db2.gz IHADOZHDIBAMFK-MRXNPFEDSA-N 2 1 278.396 2.181 20 0 CEADMP CS[C@@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000425351664 264122930 /nfs/dbraw/zinc/12/29/30/264122930.db2.gz MEPXULKEJLSOPU-UONOGXRCSA-N 2 1 284.469 2.115 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@@H+]2CCC[NH2+]CC2)cc1F ZINC000041436138 270227367 /nfs/dbraw/zinc/22/73/67/270227367.db2.gz AMLOGXCIGNGHAW-CYBMUJFWSA-N 2 1 280.387 2.308 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@H+]2CCC[NH2+]CC2)cc1F ZINC000041436138 270227368 /nfs/dbraw/zinc/22/73/68/270227368.db2.gz AMLOGXCIGNGHAW-CYBMUJFWSA-N 2 1 280.387 2.308 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397359758 270353160 /nfs/dbraw/zinc/35/31/60/270353160.db2.gz XFKHNEOZGYXFED-ZNMIVQPWSA-N 2 1 284.444 2.415 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000398096494 270355558 /nfs/dbraw/zinc/35/55/58/270355558.db2.gz KPEARTCZFNXLLH-LMSBXDPUSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)CN1Cc1ccccc1 ZINC000398096494 270355560 /nfs/dbraw/zinc/35/55/60/270355560.db2.gz KPEARTCZFNXLLH-LMSBXDPUSA-N 2 1 287.451 2.237 20 0 CEADMP CC(C)[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H](C)[NH3+] ZINC000399385228 270369155 /nfs/dbraw/zinc/36/91/55/270369155.db2.gz KXXNIMNEOBNRMY-ZBFHGGJFSA-N 2 1 297.487 2.377 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C)C2(OC)CCCCC2)CC1 ZINC000421822365 270665581 /nfs/dbraw/zinc/66/55/81/270665581.db2.gz AIRPJBGQYYYCJO-HNNXBMFYSA-N 2 1 298.471 2.425 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CN[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422744397 270750267 /nfs/dbraw/zinc/75/02/67/270750267.db2.gz SUEKUNKRBKDGLR-HOTGVXAUSA-N 2 1 261.413 2.108 20 0 CEADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422744397 270750268 /nfs/dbraw/zinc/75/02/68/270750268.db2.gz SUEKUNKRBKDGLR-HOTGVXAUSA-N 3 1 261.413 2.108 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422744397 270750272 /nfs/dbraw/zinc/75/02/72/270750272.db2.gz SUEKUNKRBKDGLR-HOTGVXAUSA-N 3 1 261.413 2.108 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422784212 270767203 /nfs/dbraw/zinc/76/72/03/270767203.db2.gz NSNNRNZXQWNHOM-HUUCEWRRSA-N 3 1 264.417 2.079 20 0 CEADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000422820604 270783875 /nfs/dbraw/zinc/78/38/75/270783875.db2.gz RKDZKEFHGOOWMK-BYNSBNAKSA-N 2 1 286.485 2.407 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422833867 270786775 /nfs/dbraw/zinc/78/67/75/270786775.db2.gz HBVBHHFPZZMJLI-XJKSGUPXSA-N 3 1 265.445 2.110 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)cc(F)cc1F ZINC000423126532 270845195 /nfs/dbraw/zinc/84/51/95/270845195.db2.gz AVJXBQHOQOVXLQ-OQPBUACISA-N 2 1 258.287 2.321 20 0 CEADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)CC2 ZINC000423280727 270888229 /nfs/dbraw/zinc/88/82/29/270888229.db2.gz UMJCNZQXKUGVNM-KBPBESRZSA-N 2 1 278.396 2.264 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc(N2CCCC2=O)c1 ZINC000423321885 270896536 /nfs/dbraw/zinc/89/65/36/270896536.db2.gz HZPBOJFXDGIWFD-ZDUSSCGKSA-N 2 1 287.407 2.345 20 0 CEADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C(C)(C)C ZINC000423521110 270921180 /nfs/dbraw/zinc/92/11/80/270921180.db2.gz SEJFCTBKYHGQDI-NFOMZHRRSA-N 2 1 267.461 2.227 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000423542876 270923688 /nfs/dbraw/zinc/92/36/88/270923688.db2.gz BIJJHIVBFPWMPH-JTQLQIEISA-N 2 1 282.409 2.327 20 0 CEADMP C[N@H+]1CC[C@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424130243 271020779 /nfs/dbraw/zinc/02/07/79/271020779.db2.gz HGEZKYIBNKOMOL-CVEARBPZSA-N 2 1 295.471 2.132 20 0 CEADMP CCCCc1nc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)no1 ZINC000424285034 271039900 /nfs/dbraw/zinc/03/99/00/271039900.db2.gz DXLSANITFZZTFY-CYBMUJFWSA-N 2 1 292.427 2.376 20 0 CEADMP CCCCc1nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)no1 ZINC000424285034 271039904 /nfs/dbraw/zinc/03/99/04/271039904.db2.gz DXLSANITFZZTFY-CYBMUJFWSA-N 2 1 292.427 2.376 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CCCOCC(F)(F)F)CC[NH2+]CC2 ZINC000424293634 271041698 /nfs/dbraw/zinc/04/16/98/271041698.db2.gz PIIOHFVIWTZTDH-GFCCVEGCSA-N 2 1 294.361 2.419 20 0 CEADMP CN(C[C@@H](C[NH3+])c1ccc(F)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000424306813 271042421 /nfs/dbraw/zinc/04/24/21/271042421.db2.gz WBYADUKERJIPRO-PBHICJAKSA-N 2 1 291.414 2.037 20 0 CEADMP C[C@]1(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]C1 ZINC000424365176 271050332 /nfs/dbraw/zinc/05/03/32/271050332.db2.gz GNLOSZMRKVYSDW-OTWHNJEPSA-N 2 1 299.462 2.192 20 0 CEADMP CC(C)c1nnc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000426295107 271211274 /nfs/dbraw/zinc/21/12/74/271211274.db2.gz MNIYWRJEKUGULR-RYUDHWBXSA-N 2 1 282.457 2.276 20 0 CEADMP Cc1ccncc1CCC[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000428453163 271268758 /nfs/dbraw/zinc/26/87/58/271268758.db2.gz AJQZIDGGMXRPNY-HNNXBMFYSA-N 2 1 289.423 2.300 20 0 CEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000430558545 271391054 /nfs/dbraw/zinc/39/10/54/271391054.db2.gz YWRAURGXZRLSJN-HNNXBMFYSA-N 2 1 299.365 2.256 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430591463 271395988 /nfs/dbraw/zinc/39/59/88/271395988.db2.gz FSWOIGBPYAXFMK-CMPLNLGQSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430591463 271395990 /nfs/dbraw/zinc/39/59/90/271395990.db2.gz FSWOIGBPYAXFMK-CMPLNLGQSA-N 2 1 251.374 2.105 20 0 CEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000430586909 271396396 /nfs/dbraw/zinc/39/63/96/271396396.db2.gz UICYZIWJLUHXJW-INIZCTEOSA-N 2 1 294.395 2.147 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]CC1(CN(C)C)CCCC1 ZINC000423032160 281002455 /nfs/dbraw/zinc/00/24/55/281002455.db2.gz DYLAZXUKIZXYRS-CQSZACIVSA-N 2 1 255.450 2.216 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC000228496911 274385075 /nfs/dbraw/zinc/38/50/75/274385075.db2.gz XAERSCZEDHZVJO-MNOVXSKESA-N 2 1 280.799 2.444 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC000228496911 274385076 /nfs/dbraw/zinc/38/50/76/274385076.db2.gz XAERSCZEDHZVJO-MNOVXSKESA-N 2 1 280.799 2.444 20 0 CEADMP C(C[N@H+]1CCC[C@@]2(CCCOC2)C1)[C@H]1CCC[NH2+]C1 ZINC000334784441 275391636 /nfs/dbraw/zinc/39/16/36/275391636.db2.gz LUMDNOJYYDSDKN-HZPDHXFCSA-N 2 1 266.429 2.269 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCSC1 ZINC000336703982 275394679 /nfs/dbraw/zinc/39/46/79/275394679.db2.gz LSEORDZKSIWKSG-GFCCVEGCSA-N 2 1 254.443 2.346 20 0 CEADMP C([NH2+][C@@H]1CCCC12CCOCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000312412959 275395081 /nfs/dbraw/zinc/39/50/81/275395081.db2.gz NWTWXJNRMMTHES-GDBMZVCRSA-N 2 1 278.440 2.410 20 0 CEADMP C([C@@H]1CCCOC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000334155716 275396885 /nfs/dbraw/zinc/39/68/85/275396885.db2.gz WCLUEEFIRVQDLY-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C([C@H]1CCCOC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000334155717 275397827 /nfs/dbraw/zinc/39/78/27/275397827.db2.gz WCLUEEFIRVQDLY-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000251318135 276002381 /nfs/dbraw/zinc/00/23/81/276002381.db2.gz LRVUOIMUDJJWGP-WCVJEAGWSA-N 2 1 266.429 2.406 20 0 CEADMP CCC[NH2+][C@@H](C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000295233633 276018196 /nfs/dbraw/zinc/01/81/96/276018196.db2.gz SDGYZRIUEWZDPF-GJZGRUSLSA-N 2 1 291.439 2.011 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000348379606 276105502 /nfs/dbraw/zinc/10/55/02/276105502.db2.gz KFFJUQPWZBGRPG-YNEHKIRRSA-N 2 1 296.377 2.400 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000336723459 276106423 /nfs/dbraw/zinc/10/64/23/276106423.db2.gz ZJQDIUWNVFOPQA-GJZGRUSLSA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2COc3ccc(F)cc3C2)CC1 ZINC000335144486 276151664 /nfs/dbraw/zinc/15/16/64/276151664.db2.gz HUXKDLNQBOUIBW-HNNXBMFYSA-N 2 1 278.371 2.203 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000356270939 276207649 /nfs/dbraw/zinc/20/76/49/276207649.db2.gz ALXKIHHFGVJEQW-ZIAGYGMSSA-N 2 1 295.471 2.286 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000414711679 276224642 /nfs/dbraw/zinc/22/46/42/276224642.db2.gz SWDSDNDAEJVBHG-FPCVCCKLSA-N 3 1 267.461 2.037 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000414711679 276224645 /nfs/dbraw/zinc/22/46/45/276224645.db2.gz SWDSDNDAEJVBHG-FPCVCCKLSA-N 3 1 267.461 2.037 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000414711679 276224647 /nfs/dbraw/zinc/22/46/47/276224647.db2.gz SWDSDNDAEJVBHG-FPCVCCKLSA-N 3 1 267.461 2.037 20 0 CEADMP CCN1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000414711679 276224649 /nfs/dbraw/zinc/22/46/49/276224649.db2.gz SWDSDNDAEJVBHG-FPCVCCKLSA-N 2 1 267.461 2.037 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC000414711679 276224652 /nfs/dbraw/zinc/22/46/52/276224652.db2.gz SWDSDNDAEJVBHG-FPCVCCKLSA-N 2 1 267.461 2.037 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348087167 276263486 /nfs/dbraw/zinc/26/34/86/276263486.db2.gz OTJLHMFKSKSWPI-UPJWGTAASA-N 2 1 294.361 2.418 20 0 CEADMP CC[NH+](CC)CCCCNc1[nH+]cnc2[nH]ccc21 ZINC000263808004 276323795 /nfs/dbraw/zinc/32/37/95/276323795.db2.gz SIJOHVPWKNRJLX-UHFFFAOYSA-N 2 1 261.373 2.492 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(COC)CCC2)[C@@H](C)C1 ZINC000337381388 276395862 /nfs/dbraw/zinc/39/58/62/276395862.db2.gz JJGOINQJBQMKPE-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000070356253 276669156 /nfs/dbraw/zinc/66/91/56/276669156.db2.gz LTXIDLQFLPQOCR-ZFWWWQNUSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000336108226 277023433 /nfs/dbraw/zinc/02/34/33/277023433.db2.gz YLRHHIZXLVCDIW-MRXNPFEDSA-N 2 1 272.392 2.232 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000336801645 277060808 /nfs/dbraw/zinc/06/08/08/277060808.db2.gz QUSVBCSUYKGJHX-UONOGXRCSA-N 2 1 262.401 2.073 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000336801645 277060809 /nfs/dbraw/zinc/06/08/09/277060809.db2.gz QUSVBCSUYKGJHX-UONOGXRCSA-N 2 1 262.401 2.073 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000336801645 277060810 /nfs/dbraw/zinc/06/08/10/277060810.db2.gz QUSVBCSUYKGJHX-UONOGXRCSA-N 2 1 262.401 2.073 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC=CO3)CC[C@@H]21 ZINC000194073904 277068932 /nfs/dbraw/zinc/06/89/32/277068932.db2.gz IEIKQIVUCKPCNS-ILXRZTDVSA-N 2 1 250.386 2.095 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCC=CO3)CC[C@@H]21 ZINC000194073904 277068933 /nfs/dbraw/zinc/06/89/33/277068933.db2.gz IEIKQIVUCKPCNS-ILXRZTDVSA-N 2 1 250.386 2.095 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC=CO3)CC[C@@H]21 ZINC000194073904 277068934 /nfs/dbraw/zinc/06/89/34/277068934.db2.gz IEIKQIVUCKPCNS-ILXRZTDVSA-N 2 1 250.386 2.095 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3Cc4ccccc4[C@@H]3O)CC[C@H]21 ZINC000227345029 277069548 /nfs/dbraw/zinc/06/95/48/277069548.db2.gz AQCSSOKTGJJBMN-DDBAPUKQSA-N 2 1 286.419 2.061 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3Cc4ccccc4[C@@H]3O)CC[C@H]21 ZINC000227345029 277069550 /nfs/dbraw/zinc/06/95/50/277069550.db2.gz AQCSSOKTGJJBMN-DDBAPUKQSA-N 2 1 286.419 2.061 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3Cc4ccccc4[C@@H]3O)CC[C@H]21 ZINC000227345029 277069551 /nfs/dbraw/zinc/06/95/51/277069551.db2.gz AQCSSOKTGJJBMN-DDBAPUKQSA-N 2 1 286.419 2.061 20 0 CEADMP CC(C)(C)C1CCC(C[N@H+](CC[NH3+])CCO)CC1 ZINC000342402828 277133596 /nfs/dbraw/zinc/13/35/96/277133596.db2.gz QXZMRYQJIHMKAA-UHFFFAOYSA-N 2 1 256.434 2.092 20 0 CEADMP CC(C)(C)C1CCC(C[N@@H+](CC[NH3+])CCO)CC1 ZINC000342402828 277133598 /nfs/dbraw/zinc/13/35/98/277133598.db2.gz QXZMRYQJIHMKAA-UHFFFAOYSA-N 2 1 256.434 2.092 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+]C2CCOCC2)[C@H]1c1ccccc1 ZINC000364303735 277162977 /nfs/dbraw/zinc/16/29/77/277162977.db2.gz OILVXCMUHXJODZ-NVXWUHKLSA-N 2 1 274.408 2.448 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000358264041 277184465 /nfs/dbraw/zinc/18/44/65/277184465.db2.gz YCCBWOQQGLQRFS-BZSNNMDCSA-N 2 1 288.435 2.369 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000358264041 277184468 /nfs/dbraw/zinc/18/44/68/277184468.db2.gz YCCBWOQQGLQRFS-BZSNNMDCSA-N 2 1 288.435 2.369 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000185197674 277212108 /nfs/dbraw/zinc/21/21/08/277212108.db2.gz STKRQABKAIOVLZ-CABCVRRESA-N 2 1 286.460 2.136 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000347040706 277275723 /nfs/dbraw/zinc/27/57/23/277275723.db2.gz IBMNVSWPKYTBDZ-AWEZNQCLSA-N 2 1 261.413 2.184 20 0 CEADMP CO[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)CC(C)C ZINC000417355856 277280681 /nfs/dbraw/zinc/28/06/81/277280681.db2.gz FVDBGEBDUNPDEO-OAHLLOKOSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)=CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371294879 277324988 /nfs/dbraw/zinc/32/49/88/277324988.db2.gz NMQYRIYQEMYXNJ-SOUVJXGZSA-N 2 1 252.402 2.136 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000353929736 277326164 /nfs/dbraw/zinc/32/61/64/277326164.db2.gz FJINGOACVOMVMM-XEZPLFJOSA-N 2 1 294.439 2.181 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CC2)CC[N@H+]1C ZINC000353974838 278025279 /nfs/dbraw/zinc/02/52/79/278025279.db2.gz SQNJWFOVSOVGQQ-NXEZZACHSA-N 2 1 250.308 2.401 20 0 CEADMP COc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C2 ZINC000164513507 278040903 /nfs/dbraw/zinc/04/09/03/278040903.db2.gz ISEZQDWJIZAYAW-BPLDGKMQSA-N 2 1 290.407 2.071 20 0 CEADMP COc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C2 ZINC000164513507 278040904 /nfs/dbraw/zinc/04/09/04/278040904.db2.gz ISEZQDWJIZAYAW-BPLDGKMQSA-N 2 1 290.407 2.071 20 0 CEADMP CC1(C)CCC(C[N@H+]2CCCO[C@H](C[NH3+])C2)CC1 ZINC000313342855 278195631 /nfs/dbraw/zinc/19/56/31/278195631.db2.gz NTSSZWPBUYBZFZ-CQSZACIVSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)(C)N1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000094087795 278341198 /nfs/dbraw/zinc/34/11/98/278341198.db2.gz MVSQVZGKFAZUAN-UHFFFAOYSA-N 2 1 253.434 2.109 20 0 CEADMP CC[C@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@H]1CCOC1 ZINC000310706629 288037546 /nfs/dbraw/zinc/03/75/46/288037546.db2.gz INXAULMNDVBKIX-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000335631295 279083338 /nfs/dbraw/zinc/08/33/38/279083338.db2.gz AAFXPPZHMBZUTQ-STQMWFEESA-N 2 1 265.426 2.273 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC1(C[NH+](C)C)CCCC1 ZINC000183955968 288101715 /nfs/dbraw/zinc/10/17/15/288101715.db2.gz UJLDGFLYTKZJBL-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183955968 288101716 /nfs/dbraw/zinc/10/17/16/288101716.db2.gz UJLDGFLYTKZJBL-PMPSAXMXSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183955968 288101717 /nfs/dbraw/zinc/10/17/17/288101717.db2.gz UJLDGFLYTKZJBL-PMPSAXMXSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@]1(F)C[NH2+]CCN(c2cc[nH+]c3ccsc32)C1 ZINC000335004930 279167640 /nfs/dbraw/zinc/16/76/40/279167640.db2.gz JMDLEGZYLPCNQJ-CYBMUJFWSA-N 2 1 265.357 2.434 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+][C@@H](C)CCn1cccn1 ZINC000157642751 279311375 /nfs/dbraw/zinc/31/13/75/279311375.db2.gz OUISGZFXRAQZHS-HRCADAONSA-N 2 1 278.444 2.372 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+][C@@H](C)CCn1cccn1 ZINC000157642751 279311376 /nfs/dbraw/zinc/31/13/76/279311376.db2.gz OUISGZFXRAQZHS-HRCADAONSA-N 2 1 278.444 2.372 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000333236639 279372136 /nfs/dbraw/zinc/37/21/36/279372136.db2.gz DCRUJYCKHJAJGS-MCIONIFRSA-N 2 1 276.428 2.167 20 0 CEADMP CC(C)[C@H](C(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH+]1CCCCC1 ZINC000353991213 280150325 /nfs/dbraw/zinc/15/03/25/280150325.db2.gz ADBRXBBEYFHYKO-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H](NC[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)c(F)c1 ZINC000212708737 280207411 /nfs/dbraw/zinc/20/74/11/280207411.db2.gz FVCIRFVYHYFUPR-YPMHNXCESA-N 2 1 299.821 2.376 20 0 CEADMP C[C@@H](NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)c(F)c1 ZINC000212708737 280207412 /nfs/dbraw/zinc/20/74/12/280207412.db2.gz FVCIRFVYHYFUPR-YPMHNXCESA-N 2 1 299.821 2.376 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)C1(C)C ZINC000234817313 280220881 /nfs/dbraw/zinc/22/08/81/280220881.db2.gz BBECVAKMYYBWMW-MELADBBJSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOCC(F)(F)F)[C@@H](C)C1 ZINC000246805277 280310484 /nfs/dbraw/zinc/31/04/84/280310484.db2.gz AHMQZFQQWPQSFY-NWDGAFQWSA-N 2 1 282.350 2.275 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCOC)[C@H](C)C1 ZINC000246881052 280313038 /nfs/dbraw/zinc/31/30/38/280313038.db2.gz DAEAZBNFFHBGLH-OAGGEKHMSA-N 2 1 286.460 2.138 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247034792 280318381 /nfs/dbraw/zinc/31/83/81/280318381.db2.gz LMBIQOXJFPVMPU-GZBFAFLISA-N 2 1 276.428 2.260 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CCCO2)[C@@H](C)C1 ZINC000249263141 280389982 /nfs/dbraw/zinc/38/99/82/280389982.db2.gz ICQIRLQIYZYZIU-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2CCCO2)[C@@H](C)C1 ZINC000249263141 280389986 /nfs/dbraw/zinc/38/99/86/280389986.db2.gz ICQIRLQIYZYZIU-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCC[N@H+]1C ZINC000423029284 281000579 /nfs/dbraw/zinc/00/05/79/281000579.db2.gz HZJXKBXJGBUXNE-RAEVTNRLSA-N 2 1 259.397 2.204 20 0 CEADMP COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)C2 ZINC000423030800 281001242 /nfs/dbraw/zinc/00/12/42/281001242.db2.gz WIJRAGXCSPTPOF-AAEUAGOBSA-N 2 1 299.374 2.157 20 0 CEADMP C[C@H](CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCCCC1 ZINC000423031837 281002422 /nfs/dbraw/zinc/00/24/22/281002422.db2.gz LJWJBUFIOAEHFO-OAGGEKHMSA-N 3 1 267.461 2.358 20 0 CEADMP C[C@H](CC[NH2+][C@H]1CCCC[C@H]1C[NH3+])[NH+]1CCCCC1 ZINC000423031840 281002495 /nfs/dbraw/zinc/00/24/95/281002495.db2.gz LJWJBUFIOAEHFO-PMPSAXMXSA-N 3 1 267.461 2.358 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000423045799 281007591 /nfs/dbraw/zinc/00/75/91/281007591.db2.gz COSUPUBAYADZQX-ZJUUUORDSA-N 2 1 280.803 2.442 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1(C)C ZINC000423051735 281011455 /nfs/dbraw/zinc/01/14/55/281011455.db2.gz OYSPJPHMGOVSHE-RFQIPJPRSA-N 2 1 254.418 2.309 20 0 CEADMP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)[C@H]1CCCCN1 ZINC000423135316 281018466 /nfs/dbraw/zinc/01/84/66/281018466.db2.gz NNESEYVLSKMNGR-HZPDHXFCSA-N 2 1 267.461 2.373 20 0 CEADMP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423478099 281053118 /nfs/dbraw/zinc/05/31/18/281053118.db2.gz MRHQRXJRGDIBIR-CMPLNLGQSA-N 2 1 258.312 2.045 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000423496641 281056141 /nfs/dbraw/zinc/05/61/41/281056141.db2.gz FDTSSLWXDZXWRS-YSVLISHTSA-N 2 1 275.440 2.321 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(Cl)c1 ZINC000423511899 281056950 /nfs/dbraw/zinc/05/69/50/281056950.db2.gz KLQISCIUXCZMPH-FZMZJTMJSA-N 2 1 268.788 2.369 20 0 CEADMP C[C@H](c1ccncc1F)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423511831 281057037 /nfs/dbraw/zinc/05/70/37/281057037.db2.gz PHDYTYABBKZHMB-JTNHKYCSSA-N 2 1 251.349 2.198 20 0 CEADMP C[C@H](c1ccncc1F)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423511831 281057041 /nfs/dbraw/zinc/05/70/41/281057041.db2.gz PHDYTYABBKZHMB-JTNHKYCSSA-N 2 1 251.349 2.198 20 0 CEADMP C1CC([C@@H]2CC[C@@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000423512884 281057685 /nfs/dbraw/zinc/05/76/85/281057685.db2.gz QPOKINLONHCWIC-FOIPXRHGSA-N 2 1 291.483 2.371 20 0 CEADMP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[C@H](C)[NH3+] ZINC000423772254 281090371 /nfs/dbraw/zinc/09/03/71/281090371.db2.gz HOCYCPPYWITPPF-FZKCQIBNSA-N 2 1 295.471 2.080 20 0 CEADMP CN(C[C@@H](C[NH3+])c1ccc(F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000424277987 281143110 /nfs/dbraw/zinc/14/31/10/281143110.db2.gz COEKNCLWRWIPTJ-GDBMZVCRSA-N 2 1 293.430 2.142 20 0 CEADMP C[C@H]1C[C@@H]1[N@H+]1CCN(CC[C@@H]2CCC[NH+]2C)C[C@@H](C)C1 ZINC000429003998 281214783 /nfs/dbraw/zinc/21/47/83/281214783.db2.gz ZCBYVRJINSTOJU-QZWWFDLISA-N 2 1 279.472 2.133 20 0 CEADMP C[C@H]1C[C@@H]1[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H](C)C1 ZINC000429003998 281214786 /nfs/dbraw/zinc/21/47/86/281214786.db2.gz ZCBYVRJINSTOJU-QZWWFDLISA-N 2 1 279.472 2.133 20 0 CEADMP C[C@H]1C[C@@H]1[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@@H](C)C1 ZINC000429003998 281214787 /nfs/dbraw/zinc/21/47/87/281214787.db2.gz ZCBYVRJINSTOJU-QZWWFDLISA-N 2 1 279.472 2.133 20 0 CEADMP CC1(C)C[NH+](CCCCC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC000172650433 281235354 /nfs/dbraw/zinc/23/53/54/281235354.db2.gz IUOISDPCAXDKLC-UHFFFAOYSA-N 2 1 298.471 2.378 20 0 CEADMP COc1ccc(OCCC[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430621241 281270481 /nfs/dbraw/zinc/27/04/81/281270481.db2.gz CMBIUGMXOLTSQW-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH3+])cc2)C[C@H]1C ZINC000430798344 281277046 /nfs/dbraw/zinc/27/70/46/281277046.db2.gz SYBLRKIVNQMFDC-CJNGLKHVSA-N 2 1 289.423 2.090 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000430888620 281279935 /nfs/dbraw/zinc/27/99/35/281279935.db2.gz JWPDGEWKHDDWQQ-PMPSAXMXSA-N 2 1 295.471 2.275 20 0 CEADMP CO[C@H](C)c1nc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cs1 ZINC000430927185 281281419 /nfs/dbraw/zinc/28/14/19/281281419.db2.gz QDPKSDRPDWUFOC-WDEREUQCSA-N 2 1 283.441 2.410 20 0 CEADMP CC[N@H+](Cc1cccc2c1OCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435380944 281386660 /nfs/dbraw/zinc/38/66/60/281386660.db2.gz QTDQJZVAVNEYMG-CQSZACIVSA-N 2 1 276.380 2.379 20 0 CEADMP CC[N@@H+](Cc1cccc2c1OCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435380944 281386662 /nfs/dbraw/zinc/38/66/62/281386662.db2.gz QTDQJZVAVNEYMG-CQSZACIVSA-N 2 1 276.380 2.379 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)o1 ZINC000435392650 281387667 /nfs/dbraw/zinc/38/76/67/281387667.db2.gz HBIWISXDFUXBPU-ZDUSSCGKSA-N 2 1 294.395 2.420 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)o1 ZINC000435392650 281387669 /nfs/dbraw/zinc/38/76/69/281387669.db2.gz HBIWISXDFUXBPU-ZDUSSCGKSA-N 2 1 294.395 2.420 20 0 CEADMP CC[N@H+](Cc1cc(OC)cc(C)n1)[C@H]1CCC[NH2+]CC1 ZINC000435394498 281388218 /nfs/dbraw/zinc/38/82/18/281388218.db2.gz NQNZZPDUNUQPAZ-HNNXBMFYSA-N 2 1 277.412 2.363 20 0 CEADMP CC[N@@H+](Cc1cc(OC)cc(C)n1)[C@H]1CCC[NH2+]CC1 ZINC000435394498 281388221 /nfs/dbraw/zinc/38/82/21/281388221.db2.gz NQNZZPDUNUQPAZ-HNNXBMFYSA-N 2 1 277.412 2.363 20 0 CEADMP CCN(Cc1cc(OC)cc(C)[nH+]1)[C@H]1CCC[NH2+]CC1 ZINC000435394498 281388223 /nfs/dbraw/zinc/38/82/23/281388223.db2.gz NQNZZPDUNUQPAZ-HNNXBMFYSA-N 2 1 277.412 2.363 20 0 CEADMP C[NH+](C)C1(CN[C@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCCC1 ZINC000353452182 289062192 /nfs/dbraw/zinc/06/21/92/289062192.db2.gz YLCCXHOQPFMRHU-JYJNAYRXSA-N 2 1 279.472 2.323 20 0 CEADMP COC[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158601848 289236835 /nfs/dbraw/zinc/23/68/35/289236835.db2.gz GLQATLGHFQNCJH-ZNMIVQPWSA-N 2 1 256.434 2.369 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000305655980 289272554 /nfs/dbraw/zinc/27/25/54/289272554.db2.gz WELBPURZHFNKTH-UKRRQHHQSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000305655980 289272558 /nfs/dbraw/zinc/27/25/58/289272558.db2.gz WELBPURZHFNKTH-UKRRQHHQSA-N 2 1 265.401 2.065 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1SC ZINC000459399113 290136795 /nfs/dbraw/zinc/13/67/95/290136795.db2.gz YLAAKKNDCUGLHG-FQKPHLNHSA-N 2 1 284.469 2.112 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@H]1SC ZINC000459587077 290187833 /nfs/dbraw/zinc/18/78/33/290187833.db2.gz LCXGHIYHVDVEDJ-RBSFLKMASA-N 2 1 286.485 2.359 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccn(C(F)F)n2)C1 ZINC000459740489 290222818 /nfs/dbraw/zinc/22/28/18/290222818.db2.gz UKNPXCMMPFSIOZ-LLVKDONJSA-N 2 1 272.343 2.100 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)[C@@H]2CCC[C@H]21 ZINC000353616084 290223551 /nfs/dbraw/zinc/22/35/51/290223551.db2.gz YPTKPTIZKBURIR-CBBWQLFWSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C/C=C/c2ccncc2)C1 ZINC000459775932 290236156 /nfs/dbraw/zinc/23/61/56/290236156.db2.gz JPNJDVBZWSJCTD-WPTTZPOMSA-N 2 1 259.397 2.416 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459790819 290241011 /nfs/dbraw/zinc/24/10/11/290241011.db2.gz HDTMBGBIKIQHOS-STQMWFEESA-N 2 1 251.399 2.161 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459790819 290241012 /nfs/dbraw/zinc/24/10/12/290241012.db2.gz HDTMBGBIKIQHOS-STQMWFEESA-N 2 1 251.399 2.161 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000459799729 290245082 /nfs/dbraw/zinc/24/50/82/290245082.db2.gz ZATFTGJCXPKUOY-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC000459799729 290245084 /nfs/dbraw/zinc/24/50/84/290245084.db2.gz ZATFTGJCXPKUOY-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000459799729 290245085 /nfs/dbraw/zinc/24/50/85/290245085.db2.gz ZATFTGJCXPKUOY-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC000459799729 290245087 /nfs/dbraw/zinc/24/50/87/290245087.db2.gz ZATFTGJCXPKUOY-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[C@H]([NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1)C1CCC1 ZINC000459815347 290247591 /nfs/dbraw/zinc/24/75/91/290247591.db2.gz YENBJGIPEVGGOU-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000461615832 290257353 /nfs/dbraw/zinc/25/73/53/290257353.db2.gz GCWHQXZEFFKXOE-FPCVCCKLSA-N 2 1 297.487 2.484 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H]1CCSC1 ZINC000487269702 290338860 /nfs/dbraw/zinc/33/88/60/290338860.db2.gz SVSJRYWZEGUXCC-AAEUAGOBSA-N 2 1 253.415 2.170 20 0 CEADMP Clc1ccc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CCCO2 ZINC000335551164 294110165 /nfs/dbraw/zinc/11/01/65/294110165.db2.gz BNWLUXFWPWADEZ-CYBMUJFWSA-N 2 1 266.772 2.363 20 0 CEADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000358344538 294334471 /nfs/dbraw/zinc/33/44/71/294334471.db2.gz KGEWIVOEWUFWSU-RRFJBIMHSA-N 2 1 256.434 2.367 20 0 CEADMP [NH3+]CCC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000414705764 295229300 /nfs/dbraw/zinc/22/93/00/295229300.db2.gz LXWJUYKNLFXJIO-MRXNPFEDSA-N 2 1 262.397 2.097 20 0 CEADMP NC(=O)c1csc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352540064 295229449 /nfs/dbraw/zinc/22/94/49/295229449.db2.gz GRXXEYUSSXXYFX-UHFFFAOYSA-N 2 1 295.452 2.188 20 0 CEADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000333243072 295313655 /nfs/dbraw/zinc/31/36/55/295313655.db2.gz FGHZQFUMLFHGLE-LYYZXLFJSA-N 2 1 265.445 2.157 20 0 CEADMP C[C@@H]1COC[C@H](C)[NH+]1CCCCC[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000120758686 297152157 /nfs/dbraw/zinc/15/21/57/297152157.db2.gz FHTKJBHZKBGNGE-WNKDZCFJSA-N 2 1 298.471 2.375 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000530214966 298052275 /nfs/dbraw/zinc/05/22/75/298052275.db2.gz ZNTGQXJJBNICJK-JKSUJKDBSA-N 2 1 295.471 2.225 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000530214966 298052277 /nfs/dbraw/zinc/05/22/77/298052277.db2.gz ZNTGQXJJBNICJK-JKSUJKDBSA-N 2 1 295.471 2.225 20 0 CEADMP Cc1c([C@H](C)[NH2+]CCc2c[nH+]cn2C)cnn1C(C)C ZINC000530407319 298069005 /nfs/dbraw/zinc/06/90/05/298069005.db2.gz PTDDGMJYLIETHE-LBPRGKRZSA-N 2 1 275.400 2.399 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3cccn3)c2)CC[N@H+]1C ZINC000531611974 298112582 /nfs/dbraw/zinc/11/25/82/298112582.db2.gz GVKIWLGWYHDSOH-HOCLYGCPSA-N 2 1 284.407 2.445 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4[nH]cnc4c3)CC[C@@H]21 ZINC000538796793 298238886 /nfs/dbraw/zinc/23/88/86/298238886.db2.gz UXAWDHSZKDYXSU-YOEHRIQHSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4[nH]cnc4c3)CC[C@@H]21 ZINC000538796793 298238887 /nfs/dbraw/zinc/23/88/87/298238887.db2.gz UXAWDHSZKDYXSU-YOEHRIQHSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4[nH]cnc4c3)CC[C@@H]21 ZINC000538796793 298238891 /nfs/dbraw/zinc/23/88/91/298238891.db2.gz UXAWDHSZKDYXSU-YOEHRIQHSA-N 2 1 284.407 2.479 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4nc[nH]c4c3)CC[C@@H]21 ZINC000538796793 298238895 /nfs/dbraw/zinc/23/88/95/298238895.db2.gz UXAWDHSZKDYXSU-YOEHRIQHSA-N 2 1 284.407 2.479 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4nc[nH]c4c3)CC[C@@H]21 ZINC000538796793 298238899 /nfs/dbraw/zinc/23/88/99/298238899.db2.gz UXAWDHSZKDYXSU-YOEHRIQHSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4nc[nH]c4c3)CC[C@@H]21 ZINC000538796793 298238900 /nfs/dbraw/zinc/23/89/00/298238900.db2.gz UXAWDHSZKDYXSU-YOEHRIQHSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4nc[nH]c4c3)CC[C@@H]21 ZINC000538796793 298238904 /nfs/dbraw/zinc/23/89/04/298238904.db2.gz UXAWDHSZKDYXSU-YOEHRIQHSA-N 2 1 284.407 2.479 20 0 CEADMP F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000563155045 298744296 /nfs/dbraw/zinc/74/42/96/298744296.db2.gz ZAUBOENAYPIYGT-XLWJZTARSA-N 2 1 270.392 2.014 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000567315523 299051930 /nfs/dbraw/zinc/05/19/30/299051930.db2.gz XQRDWWSRJXNCFM-QLFBSQMISA-N 2 1 255.450 2.179 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000567315523 299051934 /nfs/dbraw/zinc/05/19/34/299051934.db2.gz XQRDWWSRJXNCFM-QLFBSQMISA-N 2 1 255.450 2.179 20 0 CEADMP Clc1ccccc1C1(C[NH2+][C@@H]2CC[NH2+]C2)CCOCC1 ZINC000415084058 302888605 /nfs/dbraw/zinc/88/86/05/302888605.db2.gz QUCPFBVWGJLKBG-CYBMUJFWSA-N 2 1 294.826 2.340 20 0 CEADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000519827570 313120879 /nfs/dbraw/zinc/12/08/79/313120879.db2.gz ZEPIXLRUUHWFSJ-FUHWJXTLSA-N 2 1 290.451 2.443 20 0 CEADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000519827570 313120881 /nfs/dbraw/zinc/12/08/81/313120881.db2.gz ZEPIXLRUUHWFSJ-FUHWJXTLSA-N 2 1 290.451 2.443 20 0 CEADMP CCCNc1ccc(CNC[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000521613522 313130104 /nfs/dbraw/zinc/13/01/04/313130104.db2.gz VYWCBSZVFBCXSD-KRWDZBQOSA-N 2 1 291.439 2.053 20 0 CEADMP CCCNc1ccc(C[NH2+]C[C@H](O)CN(C)C2CC2)cc1 ZINC000521613522 313130107 /nfs/dbraw/zinc/13/01/07/313130107.db2.gz VYWCBSZVFBCXSD-KRWDZBQOSA-N 2 1 291.439 2.053 20 0 CEADMP CCCNc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000521613522 313130111 /nfs/dbraw/zinc/13/01/11/313130111.db2.gz VYWCBSZVFBCXSD-KRWDZBQOSA-N 2 1 291.439 2.053 20 0 CEADMP CCCNc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000521613522 313130113 /nfs/dbraw/zinc/13/01/13/313130113.db2.gz VYWCBSZVFBCXSD-KRWDZBQOSA-N 2 1 291.439 2.053 20 0 CEADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H]1CC12CC2 ZINC000527858869 313210850 /nfs/dbraw/zinc/21/08/50/313210850.db2.gz MKHBCCPYZQOOGT-ZBFHGGJFSA-N 2 1 279.472 2.038 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)COc3ccccc3O2)CC[N@H+]1C ZINC000527938876 313217758 /nfs/dbraw/zinc/21/77/58/313217758.db2.gz YXCHYULZXHVJHA-CPUCHLNUSA-N 2 1 290.407 2.289 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2CC[NH+]2C2CCCCC2)CC[N@H+]1C ZINC000527949848 313219371 /nfs/dbraw/zinc/21/93/71/313219371.db2.gz OGIJUKDXSLUUSF-BFYDXBDKSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+]2C2CCCCC2)CC[NH+]1C ZINC000527949848 313219374 /nfs/dbraw/zinc/21/93/74/313219374.db2.gz OGIJUKDXSLUUSF-BFYDXBDKSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@H+]2C2CCCCC2)CC[NH+]1C ZINC000527949848 313219378 /nfs/dbraw/zinc/21/93/78/313219378.db2.gz OGIJUKDXSLUUSF-BFYDXBDKSA-N 2 1 279.472 2.466 20 0 CEADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)n1 ZINC000530179881 313280521 /nfs/dbraw/zinc/28/05/21/313280521.db2.gz YMEGSEOVLUECKU-UKRRQHHQSA-N 2 1 276.428 2.269 20 0 CEADMP CC[NH2+]CCCN[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000573555748 314166826 /nfs/dbraw/zinc/16/68/26/314166826.db2.gz ZMDJGZARGPYQDY-DOTOQJQBSA-N 2 1 275.440 2.239 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000576114107 314243196 /nfs/dbraw/zinc/24/31/96/314243196.db2.gz LOGHNGPVIIEHFX-DLBZAZTESA-N 2 1 276.424 2.227 20 0 CEADMP Cc1cn2cc(NC(=O)C[N@@H+]3CCC(C)(C)C3)ccc2n1 ZINC000576714412 314304724 /nfs/dbraw/zinc/30/47/24/314304724.db2.gz CEYHKBYZKDRFQX-UHFFFAOYSA-N 2 1 286.379 2.313 20 0 CEADMP Cc1cn2cc(NC(=O)C[N@H+]3CCC(C)(C)C3)ccc2n1 ZINC000576714412 314304726 /nfs/dbraw/zinc/30/47/26/314304726.db2.gz CEYHKBYZKDRFQX-UHFFFAOYSA-N 2 1 286.379 2.313 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000576924265 314323538 /nfs/dbraw/zinc/32/35/38/314323538.db2.gz NNCYMBNHABJOTP-CHWSQXEVSA-N 2 1 275.396 2.225 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)o1 ZINC000577177472 314349582 /nfs/dbraw/zinc/34/95/82/314349582.db2.gz BCYVMYGONAYQHC-UHFFFAOYSA-N 2 1 288.347 2.205 20 0 CEADMP Cc1ccc(C)c(C[NH2+]C2(CCO)CC[NH+](C)CC2)c1 ZINC000577507309 314385566 /nfs/dbraw/zinc/38/55/66/314385566.db2.gz WLQTYRDTHHDZHK-UHFFFAOYSA-N 2 1 276.424 2.240 20 0 CEADMP COc1cc2cc[nH+]c(N(C)CCC[NH3+])c2cc1F ZINC000578490936 314484482 /nfs/dbraw/zinc/48/44/82/314484482.db2.gz TWKASWUNALVZCK-UHFFFAOYSA-N 2 1 263.316 2.168 20 0 CEADMP Cc1ccn2cc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)nc2c1 ZINC000578857798 314524035 /nfs/dbraw/zinc/52/40/35/314524035.db2.gz ZWKHVHDSUVFXFN-KBPBESRZSA-N 2 1 272.396 2.120 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000580552896 322325828 /nfs/dbraw/zinc/32/58/28/322325828.db2.gz GMFUJAQNJAIWNQ-VXGBXAGGSA-N 2 1 282.350 2.154 20 0 CEADMP C[C@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C[C@H]1C[NH3+] ZINC000580880693 322351267 /nfs/dbraw/zinc/35/12/67/322351267.db2.gz CHNMZFMWTDYQEN-CMPLNLGQSA-N 2 1 265.426 2.437 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C[C@H]1C[NH3+] ZINC000580880693 322351270 /nfs/dbraw/zinc/35/12/70/322351270.db2.gz CHNMZFMWTDYQEN-CMPLNLGQSA-N 2 1 265.426 2.437 20 0 CEADMP COc1c(C)c[nH+]c(CN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1C ZINC000581318697 322386667 /nfs/dbraw/zinc/38/66/67/322386667.db2.gz DZOYBTZANMVMJF-LSDHHAIUSA-N 2 1 289.423 2.376 20 0 CEADMP COc1c(C)c[nH+]c(CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1C ZINC000581318697 322386669 /nfs/dbraw/zinc/38/66/69/322386669.db2.gz DZOYBTZANMVMJF-LSDHHAIUSA-N 2 1 289.423 2.376 20 0 CEADMP CC[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000581363991 322390544 /nfs/dbraw/zinc/39/05/44/322390544.db2.gz DYAVSMDIONESFZ-FUHWJXTLSA-N 2 1 289.467 2.486 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000581363991 322390547 /nfs/dbraw/zinc/39/05/47/322390547.db2.gz DYAVSMDIONESFZ-FUHWJXTLSA-N 3 1 289.467 2.486 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000581363991 322390550 /nfs/dbraw/zinc/39/05/50/322390550.db2.gz DYAVSMDIONESFZ-FUHWJXTLSA-N 3 1 289.467 2.486 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2ccncn2)CC1 ZINC000584239728 327110106 /nfs/dbraw/zinc/11/01/06/327110106.db2.gz KNEUSXYUICQJGU-UHFFFAOYSA-N 2 1 285.395 2.022 20 0 CEADMP CSc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)ccn1 ZINC000357841337 534166703 /nfs/dbraw/zinc/16/67/03/534166703.db2.gz PJKPJGJPTDRITB-DGCLKSJQSA-N 2 1 265.426 2.233 20 0 CEADMP CSc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)ccn1 ZINC000357841337 534166707 /nfs/dbraw/zinc/16/67/07/534166707.db2.gz PJKPJGJPTDRITB-DGCLKSJQSA-N 2 1 265.426 2.233 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCn2cccn2)C1 ZINC000157740863 519678305 /nfs/dbraw/zinc/67/83/05/519678305.db2.gz QWJKOHYVCCSHDG-JKSUJKDBSA-N 2 1 278.444 2.372 20 0 CEADMP CC(C)OC[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000369362471 519770548 /nfs/dbraw/zinc/77/05/48/519770548.db2.gz LLCDDGGCXNHPAY-WLYUNCDWSA-N 2 1 254.418 2.406 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000062077978 519847132 /nfs/dbraw/zinc/84/71/32/519847132.db2.gz JEHOEXRBSQCDME-OAHLLOKOSA-N 3 1 267.461 2.182 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000367881840 520606795 /nfs/dbraw/zinc/60/67/95/520606795.db2.gz VPWBFZHUYKLXSL-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000367881840 520606806 /nfs/dbraw/zinc/60/68/06/520606806.db2.gz VPWBFZHUYKLXSL-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000367881840 520606813 /nfs/dbraw/zinc/60/68/13/520606813.db2.gz VPWBFZHUYKLXSL-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000367881840 520606821 /nfs/dbraw/zinc/60/68/21/520606821.db2.gz VPWBFZHUYKLXSL-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP CC[NH+]1CCC(N(CC[C@@H]2CCC[N@H+]2C)C2CC2)CC1 ZINC000363458866 521570306 /nfs/dbraw/zinc/57/03/06/521570306.db2.gz CNGUPTTXGVSUMN-HNNXBMFYSA-N 2 1 279.472 2.419 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000357069109 534637030 /nfs/dbraw/zinc/63/70/30/534637030.db2.gz HDGVQPAGWIJLDA-INIZCTEOSA-N 2 1 262.397 2.231 20 0 CEADMP COCC[N@@H+](CCCC1CC[NH2+]CC1)CC(C)C ZINC000050953594 523693690 /nfs/dbraw/zinc/69/36/90/523693690.db2.gz UCHYSKWJMJLLQP-UHFFFAOYSA-N 2 1 256.434 2.371 20 0 CEADMP C[C@@H](C[NH+]1CCOCC1)Nc1cc[nH+]c2ccccc12 ZINC000049509235 524631576 /nfs/dbraw/zinc/63/15/76/524631576.db2.gz DTJYMUJCMGFLEQ-ZDUSSCGKSA-N 2 1 271.364 2.367 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000157721053 524739221 /nfs/dbraw/zinc/73/92/21/524739221.db2.gz UBXMFHGXYJPVIR-BMFZPTHFSA-N 2 1 292.398 2.210 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000157721053 524739232 /nfs/dbraw/zinc/73/92/32/524739232.db2.gz UBXMFHGXYJPVIR-BMFZPTHFSA-N 2 1 292.398 2.210 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000415065372 534806988 /nfs/dbraw/zinc/80/69/88/534806988.db2.gz FYMJBNZCTOQFHG-UHFFFAOYSA-N 2 1 278.444 2.487 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCOC2CCCCC2)CC[N@H+]1C ZINC000156149160 524805051 /nfs/dbraw/zinc/80/50/51/524805051.db2.gz HYVYQOMEJQMWQH-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000157324593 524826229 /nfs/dbraw/zinc/82/62/29/524826229.db2.gz ZWSHLZDBCQTCCL-JTQLQIEISA-N 2 1 298.228 2.403 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccncc2)C[C@H](C)O1 ZINC000067452898 524941747 /nfs/dbraw/zinc/94/17/47/524941747.db2.gz QCQGIXMPUDHPCQ-GASCZTMLSA-N 2 1 277.412 2.061 20 0 CEADMP C[S@](=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000155524146 525392194 /nfs/dbraw/zinc/39/21/94/525392194.db2.gz FPHLLSJSLQXTHW-STXHMFSFSA-N 2 1 292.448 2.140 20 0 CEADMP C[S@](=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000155524146 525392197 /nfs/dbraw/zinc/39/21/97/525392197.db2.gz FPHLLSJSLQXTHW-STXHMFSFSA-N 2 1 292.448 2.140 20 0 CEADMP c1ccc(OCC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000363414022 526487020 /nfs/dbraw/zinc/48/70/20/526487020.db2.gz JGNIJEPUDNUOOY-NXHRZFHOSA-N 2 1 286.419 2.482 20 0 CEADMP c1ccc(OCC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000363414022 526487026 /nfs/dbraw/zinc/48/70/26/526487026.db2.gz JGNIJEPUDNUOOY-NXHRZFHOSA-N 2 1 286.419 2.482 20 0 CEADMP c1ccc(OCC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000363414022 526487030 /nfs/dbraw/zinc/48/70/30/526487030.db2.gz JGNIJEPUDNUOOY-NXHRZFHOSA-N 2 1 286.419 2.482 20 0 CEADMP Cn1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000374277323 527218454 /nfs/dbraw/zinc/21/84/54/527218454.db2.gz KSLUALAINVVJHO-GOSISDBHSA-N 2 1 298.434 2.422 20 0 CEADMP Cn1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000374277323 527218459 /nfs/dbraw/zinc/21/84/59/527218459.db2.gz KSLUALAINVVJHO-GOSISDBHSA-N 2 1 298.434 2.422 20 0 CEADMP OCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000363701342 527542277 /nfs/dbraw/zinc/54/22/77/527542277.db2.gz SRZKRIYCAZSDCH-GOSISDBHSA-N 2 1 288.435 2.357 20 0 CEADMP OCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000363701342 527542280 /nfs/dbraw/zinc/54/22/80/527542280.db2.gz SRZKRIYCAZSDCH-GOSISDBHSA-N 2 1 288.435 2.357 20 0 CEADMP OCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000363701342 527542281 /nfs/dbraw/zinc/54/22/81/527542281.db2.gz SRZKRIYCAZSDCH-GOSISDBHSA-N 2 1 288.435 2.357 20 0 CEADMP CC[N@H+]1CC[C@@H](NCCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000178409814 527798533 /nfs/dbraw/zinc/79/85/33/527798533.db2.gz XLKYGTVTIBYLSR-HZPDHXFCSA-N 2 1 267.461 2.182 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000178409814 527798538 /nfs/dbraw/zinc/79/85/38/527798538.db2.gz XLKYGTVTIBYLSR-HZPDHXFCSA-N 3 1 267.461 2.182 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000178409814 527798541 /nfs/dbraw/zinc/79/85/41/527798541.db2.gz XLKYGTVTIBYLSR-HZPDHXFCSA-N 3 1 267.461 2.182 20 0 CEADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000411170579 528094782 /nfs/dbraw/zinc/09/47/82/528094782.db2.gz BDOMLLJZMZXNIG-LBPRGKRZSA-N 2 1 279.432 2.228 20 0 CEADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000412402193 529287123 /nfs/dbraw/zinc/28/71/23/529287123.db2.gz QAWGLEHANKWSBW-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[NH+](CC)CCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000412402193 529287126 /nfs/dbraw/zinc/28/71/26/529287126.db2.gz QAWGLEHANKWSBW-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[NH+](CC)CCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000412402193 529287127 /nfs/dbraw/zinc/28/71/27/529287127.db2.gz QAWGLEHANKWSBW-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[N@@H+](CCOCC[NH3+])CC[C@@H]1c1ccccc1 ZINC000357089884 529294343 /nfs/dbraw/zinc/29/43/43/529294343.db2.gz ZRAMORJDOUAGSD-RDJZCZTQSA-N 2 1 276.424 2.477 20 0 CEADMP C[NH+](C)CC1CC[NH+](CC(=O)OCc2ccccc2)CC1 ZINC000731103974 574589202 /nfs/dbraw/zinc/58/92/02/574589202.db2.gz QKUBTLMEKVALGZ-UHFFFAOYSA-N 2 1 290.407 2.003 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)CN1CCCC1 ZINC000734636772 574724994 /nfs/dbraw/zinc/72/49/94/574724994.db2.gz BELWQGVSCOAXKI-NJAFHUGGSA-N 2 1 288.435 2.321 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000734636772 574724999 /nfs/dbraw/zinc/72/49/99/574724999.db2.gz BELWQGVSCOAXKI-NJAFHUGGSA-N 2 1 288.435 2.321 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000749130732 575206787 /nfs/dbraw/zinc/20/67/87/575206787.db2.gz YRNLBVFSDLZSIE-CQSZACIVSA-N 2 1 268.788 2.057 20 0 CEADMP CCO[C@H](C[NH2+]CCC(C)(C)SC)C[NH+](C)C ZINC000896880111 630699463 /nfs/dbraw/zinc/69/94/63/630699463.db2.gz NWJMDMLDZOIPKH-GFCCVEGCSA-N 2 1 262.463 2.074 20 0 CEADMP CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948553632 614673975 /nfs/dbraw/zinc/67/39/75/614673975.db2.gz JIGDMKQKTOZVSH-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000948553632 614673977 /nfs/dbraw/zinc/67/39/77/614673977.db2.gz JIGDMKQKTOZVSH-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000948553632 614673979 /nfs/dbraw/zinc/67/39/79/614673979.db2.gz JIGDMKQKTOZVSH-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941034015 614748410 /nfs/dbraw/zinc/74/84/10/614748410.db2.gz ZQRQBJBIUQCUKT-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941034015 614748411 /nfs/dbraw/zinc/74/84/11/614748411.db2.gz ZQRQBJBIUQCUKT-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941034015 614748416 /nfs/dbraw/zinc/74/84/16/614748416.db2.gz ZQRQBJBIUQCUKT-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000960716844 614858293 /nfs/dbraw/zinc/85/82/93/614858293.db2.gz HPXCLTSMCSYZKQ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000960716844 614858295 /nfs/dbraw/zinc/85/82/95/614858295.db2.gz HPXCLTSMCSYZKQ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC000960716844 614858296 /nfs/dbraw/zinc/85/82/96/614858296.db2.gz HPXCLTSMCSYZKQ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975105053 615357896 /nfs/dbraw/zinc/35/78/96/615357896.db2.gz AONSSZZRTKEVFB-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975105053 615357900 /nfs/dbraw/zinc/35/79/00/615357900.db2.gz AONSSZZRTKEVFB-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975105053 615357904 /nfs/dbraw/zinc/35/79/04/615357904.db2.gz AONSSZZRTKEVFB-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H](C)C[N@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000981323971 615652916 /nfs/dbraw/zinc/65/29/16/615652916.db2.gz CDNHXFHQQCVRID-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000957779747 615656262 /nfs/dbraw/zinc/65/62/62/615656262.db2.gz WVPNXNUNPNISDI-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000957779749 615656806 /nfs/dbraw/zinc/65/68/06/615656806.db2.gz WVPNXNUNPNISDI-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001024365778 625533265 /nfs/dbraw/zinc/53/32/65/625533265.db2.gz HRMPKIRFTLNEFS-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001024365778 625533268 /nfs/dbraw/zinc/53/32/68/625533268.db2.gz HRMPKIRFTLNEFS-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCCCC2)C1 ZINC000092277794 622581934 /nfs/dbraw/zinc/58/19/34/622581934.db2.gz KOYBNOLVXFNRFP-AWEZNQCLSA-N 2 1 280.460 2.345 20 0 CEADMP CCC[C@H](C)[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926643353 625608790 /nfs/dbraw/zinc/60/87/90/625608790.db2.gz GIFMSTFWAQVYGQ-UCHQMPSGSA-N 2 1 298.471 2.015 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cccc(C[NH+](C)C)c1 ZINC000924539147 625637022 /nfs/dbraw/zinc/63/70/22/625637022.db2.gz IBZYGGZFXLYLKN-AWEZNQCLSA-N 3 1 263.429 2.351 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1cccs1 ZINC000932928355 623395123 /nfs/dbraw/zinc/39/51/23/623395123.db2.gz ZXEILFGLCQRXFK-GDBMZVCRSA-N 2 1 296.480 2.458 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1cccs1 ZINC000932928355 623395129 /nfs/dbraw/zinc/39/51/29/623395129.db2.gz ZXEILFGLCQRXFK-GDBMZVCRSA-N 2 1 296.480 2.458 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1cccs1 ZINC000932928355 623395141 /nfs/dbraw/zinc/39/51/41/623395141.db2.gz ZXEILFGLCQRXFK-GDBMZVCRSA-N 2 1 296.480 2.458 20 0 CEADMP COc1ccc2[nH+]ccc(N3CCC[N@@H+](C)CC3)c2c1 ZINC000891437841 623651999 /nfs/dbraw/zinc/65/19/99/623651999.db2.gz CJMPSPWLCUHVFL-UHFFFAOYSA-N 2 1 271.364 2.385 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308379333 623676963 /nfs/dbraw/zinc/67/69/63/623676963.db2.gz VIADLRKMJPOWOE-MJBXVCDLSA-N 2 1 254.418 2.264 20 0 CEADMP CNc1cc(NC[C@H](c2ccccc2)[NH+](C)C)nc[nH+]1 ZINC000891450531 623705242 /nfs/dbraw/zinc/70/52/42/623705242.db2.gz MREBHDZETZUWOE-CYBMUJFWSA-N 2 1 271.368 2.233 20 0 CEADMP CN(CC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933740989 623988816 /nfs/dbraw/zinc/98/88/16/623988816.db2.gz YSEXLLUTQXTPNV-DOTOQJQBSA-N 2 1 273.424 2.006 20 0 CEADMP CN(CC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933740989 623988820 /nfs/dbraw/zinc/98/88/20/623988820.db2.gz YSEXLLUTQXTPNV-DOTOQJQBSA-N 2 1 273.424 2.006 20 0 CEADMP CN(CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933740989 623988824 /nfs/dbraw/zinc/98/88/24/623988824.db2.gz YSEXLLUTQXTPNV-DOTOQJQBSA-N 2 1 273.424 2.006 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](CCCOc3ccc(F)cc3)C[C@]2(C)C1 ZINC000933743670 623989916 /nfs/dbraw/zinc/98/99/16/623989916.db2.gz DIYHAJJLKQRFLW-PBHICJAKSA-N 2 1 292.398 2.478 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCCOc3ccc(F)cc3)C[C@]2(C)C1 ZINC000933743670 623989921 /nfs/dbraw/zinc/98/99/21/623989921.db2.gz DIYHAJJLKQRFLW-PBHICJAKSA-N 2 1 292.398 2.478 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCCOc3ccc(F)cc3)C[C@]2(C)C1 ZINC000933743670 623989924 /nfs/dbraw/zinc/98/99/24/623989924.db2.gz DIYHAJJLKQRFLW-PBHICJAKSA-N 2 1 292.398 2.478 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000891908002 624090263 /nfs/dbraw/zinc/09/02/63/624090263.db2.gz AMXJYYOBNMJOLU-GJZGRUSLSA-N 2 1 298.475 2.020 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892034281 624264692 /nfs/dbraw/zinc/26/46/92/624264692.db2.gz LBWFAYFCWHGZDR-OAHLLOKOSA-N 2 1 274.408 2.395 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000892034281 624264695 /nfs/dbraw/zinc/26/46/95/624264695.db2.gz LBWFAYFCWHGZDR-OAHLLOKOSA-N 2 1 274.408 2.395 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000892230015 624440292 /nfs/dbraw/zinc/44/02/92/624440292.db2.gz VGOQROPXENQCJG-OCCSQVGLSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000892230015 624440294 /nfs/dbraw/zinc/44/02/94/624440294.db2.gz VGOQROPXENQCJG-OCCSQVGLSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)o1 ZINC000892230015 624440296 /nfs/dbraw/zinc/44/02/96/624440296.db2.gz VGOQROPXENQCJG-OCCSQVGLSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)o1 ZINC000892230015 624440298 /nfs/dbraw/zinc/44/02/98/624440298.db2.gz VGOQROPXENQCJG-OCCSQVGLSA-N 2 1 264.369 2.204 20 0 CEADMP C[NH+]1CCC(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000892237436 624443225 /nfs/dbraw/zinc/44/32/25/624443225.db2.gz YTQQODFKTBBGPS-WMZOPIPTSA-N 2 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000892237436 624443233 /nfs/dbraw/zinc/44/32/33/624443233.db2.gz YTQQODFKTBBGPS-WMZOPIPTSA-N 3 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000892237436 624443285 /nfs/dbraw/zinc/44/32/85/624443285.db2.gz YTQQODFKTBBGPS-WMZOPIPTSA-N 3 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000892237436 624443361 /nfs/dbraw/zinc/44/33/61/624443361.db2.gz YTQQODFKTBBGPS-WMZOPIPTSA-N 3 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000892237436 624443367 /nfs/dbraw/zinc/44/33/67/624443367.db2.gz YTQQODFKTBBGPS-WMZOPIPTSA-N 3 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000892237436 624443371 /nfs/dbraw/zinc/44/33/71/624443371.db2.gz YTQQODFKTBBGPS-WMZOPIPTSA-N 2 1 291.483 2.277 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000892237436 624443381 /nfs/dbraw/zinc/44/33/81/624443381.db2.gz YTQQODFKTBBGPS-WMZOPIPTSA-N 2 1 291.483 2.277 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934438548 624493437 /nfs/dbraw/zinc/49/34/37/624493437.db2.gz MQOZMCNUWBLVIH-FGTMMUONSA-N 2 1 288.435 2.006 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934438548 624493450 /nfs/dbraw/zinc/49/34/50/624493450.db2.gz MQOZMCNUWBLVIH-FGTMMUONSA-N 2 1 288.435 2.006 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934438548 624493452 /nfs/dbraw/zinc/49/34/52/624493452.db2.gz MQOZMCNUWBLVIH-FGTMMUONSA-N 2 1 288.435 2.006 20 0 CEADMP CC(C)Cc1noc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000063200858 625080401 /nfs/dbraw/zinc/08/04/01/625080401.db2.gz JRHZGROCOLKFLG-CQSZACIVSA-N 2 1 292.427 2.232 20 0 CEADMP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc[nH+]cc2CO)C1 ZINC000892384082 625139035 /nfs/dbraw/zinc/13/90/35/625139035.db2.gz HBNWXNCEMJOVBD-CQSZACIVSA-N 2 1 286.379 2.174 20 0 CEADMP CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001025008751 625947264 /nfs/dbraw/zinc/94/72/64/625947264.db2.gz AMXVGDDFKPKDND-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCNc1ccccc1C[NH2+]CCn1cc[nH+]c1C ZINC000902139925 634482270 /nfs/dbraw/zinc/48/22/70/634482270.db2.gz SNGMOVZTAXXMPJ-UHFFFAOYSA-N 2 1 258.369 2.413 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[NH+]3CCCC[C@@H]13)C2 ZINC000820807395 634533741 /nfs/dbraw/zinc/53/37/41/634533741.db2.gz HNYDOLZOTUXLQQ-LLPGRJKPSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000820807395 634533745 /nfs/dbraw/zinc/53/37/45/634533745.db2.gz HNYDOLZOTUXLQQ-LLPGRJKPSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000820807395 634533748 /nfs/dbraw/zinc/53/37/48/634533748.db2.gz HNYDOLZOTUXLQQ-LLPGRJKPSA-N 2 1 289.467 2.361 20 0 CEADMP OCCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000820807258 634534659 /nfs/dbraw/zinc/53/46/59/634534659.db2.gz DSAKLQBHVHTTTP-HLLBOEOZSA-N 2 1 280.456 2.392 20 0 CEADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000926755764 627287780 /nfs/dbraw/zinc/28/77/80/627287780.db2.gz ZPIKOBHLXDHMQT-PMPSAXMXSA-N 2 1 268.445 2.369 20 0 CEADMP Cc1ccc(OCCC[N@@H+](C)C[C@H](C)[NH3+])cc1C ZINC000311209976 627391309 /nfs/dbraw/zinc/39/13/09/627391309.db2.gz OPFJMZMLUIVTOI-AWEZNQCLSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1ccc(OCCC[N@H+](C)C[C@H](C)[NH3+])cc1C ZINC000311209976 627391313 /nfs/dbraw/zinc/39/13/13/627391313.db2.gz OPFJMZMLUIVTOI-AWEZNQCLSA-N 2 1 250.386 2.351 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902345529 634584848 /nfs/dbraw/zinc/58/48/48/634584848.db2.gz DMZRDKZIRMTWIX-ZIAGYGMSSA-N 2 1 255.450 2.085 20 0 CEADMP C[C@@H]1CC[N@H+](CCSC(F)(F)F)C[C@@H]1C[NH3+] ZINC000167669142 627667597 /nfs/dbraw/zinc/66/75/97/627667597.db2.gz JYTMKAFOBHTUOI-BDAKNGLRSA-N 2 1 256.337 2.156 20 0 CEADMP C[C@@H]1CC[N@@H+](CCSC(F)(F)F)C[C@@H]1C[NH3+] ZINC000167669142 627667598 /nfs/dbraw/zinc/66/75/98/627667598.db2.gz JYTMKAFOBHTUOI-BDAKNGLRSA-N 2 1 256.337 2.156 20 0 CEADMP CCc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)nc(CC)n1 ZINC000892840299 627806185 /nfs/dbraw/zinc/80/61/85/627806185.db2.gz OZSBZIUAHDIAQY-GXTWGEPZSA-N 2 1 276.428 2.378 20 0 CEADMP c1cnc2c(c1)cccc2C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328564104 627891090 /nfs/dbraw/zinc/89/10/90/627891090.db2.gz JZAALIKCRIIWCM-BBZRVKOSSA-N 2 1 279.387 2.321 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1nnc(C2CC2)s1 ZINC000893028990 627954238 /nfs/dbraw/zinc/95/42/38/627954238.db2.gz KAFIHGUHLFFBEE-UHFFFAOYSA-N 2 1 291.424 2.490 20 0 CEADMP [NH3+]C1(C[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000902407815 634622401 /nfs/dbraw/zinc/62/24/01/634622401.db2.gz VHWRDHIJQHDDHM-UHFFFAOYSA-N 2 1 252.402 2.338 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)CC[S@](C)=O)CC1 ZINC000925522103 628079891 /nfs/dbraw/zinc/07/98/91/628079891.db2.gz QZTQSPZGIAQFPJ-LIRRHRJNSA-N 2 1 288.501 2.244 20 0 CEADMP C[NH+](C)[C@@H](CN[C@@H]1CC[NH2+]C1(C)C)c1ccsc1 ZINC000925527043 628111029 /nfs/dbraw/zinc/11/10/29/628111029.db2.gz OEHJZQMPLHVKPW-QWHCGFSZSA-N 2 1 267.442 2.081 20 0 CEADMP CCc1ncc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000902387826 634630018 /nfs/dbraw/zinc/63/00/18/634630018.db2.gz MAUKVJGBHOOLRP-NSHDSACASA-N 2 1 251.374 2.105 20 0 CEADMP C[N@H+](CCN[C@@H]1C[C@H]([NH3+])C12CCC2)Cc1ccc(F)cc1 ZINC000925529717 628125659 /nfs/dbraw/zinc/12/56/59/628125659.db2.gz GLBRIRIYNLPNPN-JKSUJKDBSA-N 2 1 291.414 2.117 20 0 CEADMP C[N@@H+](CCN[C@@H]1C[C@H]([NH3+])C12CCC2)Cc1ccc(F)cc1 ZINC000925529717 628125663 /nfs/dbraw/zinc/12/56/63/628125663.db2.gz GLBRIRIYNLPNPN-JKSUJKDBSA-N 2 1 291.414 2.117 20 0 CEADMP CC(C)(C[NH2+][C@H]1CC[NH2+]C1(C)C)c1ccc2c(c1)OCO2 ZINC000925530836 628130643 /nfs/dbraw/zinc/13/06/43/628130643.db2.gz VWYLEDQHWFDUSB-HNNXBMFYSA-N 2 1 290.407 2.423 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2NCCc3ccccc32)C1 ZINC000902393613 634633615 /nfs/dbraw/zinc/63/36/15/634633615.db2.gz RCLZFHHJPJDXRN-WBVHZDCISA-N 2 1 287.451 2.241 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+]CC[C@H](C)[S@@](C)=O)CC1 ZINC000925549204 628192977 /nfs/dbraw/zinc/19/29/77/628192977.db2.gz KSQJIVWQWNUBDV-IFXJQAMLSA-N 2 1 288.501 2.244 20 0 CEADMP C[C@H](CN1CCC(C)CC1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902400325 634637172 /nfs/dbraw/zinc/63/71/72/634637172.db2.gz QBNKAHHVPCQLOP-HZPDHXFCSA-N 2 1 281.488 2.475 20 0 CEADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2([NH3+])CC2)cc1OC ZINC000902403773 634639375 /nfs/dbraw/zinc/63/93/75/634639375.db2.gz BGGMWCAIYAJBDA-NEPJUHHUSA-N 2 1 278.396 2.277 20 0 CEADMP CC1(C)C[C@@H]([NH3+])C[C@H](NCc2nc(-c3ccccc3)n[nH]2)C1 ZINC000925598350 628278921 /nfs/dbraw/zinc/27/89/21/628278921.db2.gz WJJKJNWAPOAPLC-KBPBESRZSA-N 2 1 299.422 2.467 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+]C1CCC(CO)CC1)c1ccccc1 ZINC000925612553 628294792 /nfs/dbraw/zinc/29/47/92/628294792.db2.gz SJYJKWOKYHVPDU-QTISTPMNSA-N 2 1 262.397 2.216 20 0 CEADMP CC(C)CC[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925621232 628312417 /nfs/dbraw/zinc/31/24/17/628312417.db2.gz CXZBWCIYDANGPC-LSDHHAIUSA-N 2 1 268.445 2.438 20 0 CEADMP Cc1ccc(C[C@@H](CO)[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925644699 628342767 /nfs/dbraw/zinc/34/27/67/628342767.db2.gz LDHVVKACLXUZMU-IRXDYDNUSA-N 2 1 288.435 2.163 20 0 CEADMP Fc1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1F ZINC000925647130 628348586 /nfs/dbraw/zinc/34/85/86/628348586.db2.gz ZERMBHXGUCUVMK-AWEZNQCLSA-N 2 1 266.335 2.382 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000902418721 634644861 /nfs/dbraw/zinc/64/48/61/634644861.db2.gz YVOIQHIXFRVARA-SNVBAGLBSA-N 2 1 273.380 2.058 20 0 CEADMP CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001026610598 628373661 /nfs/dbraw/zinc/37/36/61/628373661.db2.gz NMMKIKNKTFJZNC-GPANFISMSA-N 2 1 295.471 2.288 20 0 CEADMP COc1c(Cl)cccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000902430683 634652835 /nfs/dbraw/zinc/65/28/35/634652835.db2.gz QAAHQDHMWMDNDJ-SECBINFHSA-N 2 1 254.761 2.046 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2Cc3ccccc3[C@H]2[NH3+])[C@@H]2CCC[C@H]21 ZINC000902436193 634656404 /nfs/dbraw/zinc/65/64/04/634656404.db2.gz XVUIJUDVPYZQQT-QXDIGNSFSA-N 2 1 285.435 2.074 20 0 CEADMP C[C@@]1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1(Cl)Cl ZINC000925679484 628473394 /nfs/dbraw/zinc/47/33/94/628473394.db2.gz DCPZBWRIETWLOW-UWVGGRQHSA-N 2 1 263.212 2.445 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925686445 628492312 /nfs/dbraw/zinc/49/23/12/628492312.db2.gz UGSCKLJWUIRORU-NJAFHUGGSA-N 3 1 293.499 2.476 20 0 CEADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc3cncn3c2)C1 ZINC000925692327 628510569 /nfs/dbraw/zinc/51/05/69/628510569.db2.gz JOXHLKBXVJTQNO-ZIAGYGMSSA-N 2 1 272.396 2.330 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000925702069 628540208 /nfs/dbraw/zinc/54/02/08/628540208.db2.gz KGWPXDLXZGWWRJ-QLFBSQMISA-N 2 1 275.396 2.032 20 0 CEADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925705376 628550600 /nfs/dbraw/zinc/55/06/00/628550600.db2.gz BCKJWUWMDURGSF-VFCPESHPSA-N 2 1 268.404 2.437 20 0 CEADMP C[C@H]1C[C@@H](NCC2([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000902415184 634664590 /nfs/dbraw/zinc/66/45/90/634664590.db2.gz COVHJKXTGJIZMZ-HOCLYGCPSA-N 2 1 273.424 2.120 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC001008753790 628566340 /nfs/dbraw/zinc/56/63/40/628566340.db2.gz KZWOPNRRRLFABL-JKSUJKDBSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008753790 628566344 /nfs/dbraw/zinc/56/63/44/628566344.db2.gz KZWOPNRRRLFABL-JKSUJKDBSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008753790 628566346 /nfs/dbraw/zinc/56/63/46/628566346.db2.gz KZWOPNRRRLFABL-JKSUJKDBSA-N 2 1 295.471 2.238 20 0 CEADMP c1csc(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257692343 628605342 /nfs/dbraw/zinc/60/53/42/628605342.db2.gz NVUKVAADHJEXNY-CQSZACIVSA-N 2 1 250.411 2.366 20 0 CEADMP CC(C)CO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(C)C ZINC000902478987 634669411 /nfs/dbraw/zinc/66/94/11/634669411.db2.gz ZKQGZZTWYLGLPF-KHMAMNHCSA-N 2 1 266.429 2.309 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469587 634686423 /nfs/dbraw/zinc/68/64/23/634686423.db2.gz YBISOMJAZHGNPJ-GPFWEFOESA-N 2 1 299.462 2.380 20 0 CEADMP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469615 634687136 /nfs/dbraw/zinc/68/71/36/634687136.db2.gz YSTOVIREYDHDOZ-FAAHXZRKSA-N 2 1 260.381 2.109 20 0 CEADMP CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000893626163 628829139 /nfs/dbraw/zinc/82/91/39/628829139.db2.gz JCIKPWHSCUEXEU-MRXNPFEDSA-N 2 1 296.455 2.382 20 0 CEADMP C1CC2(C1)CC[C@@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925789625 628832050 /nfs/dbraw/zinc/83/20/50/628832050.db2.gz ASZYOPIOPZHSCD-KGLIPLIRSA-N 2 1 264.413 2.067 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925806217 628857540 /nfs/dbraw/zinc/85/75/40/628857540.db2.gz YGXZNJAEVLDSGS-RHSMWYFYSA-N 2 1 284.407 2.145 20 0 CEADMP Cn1cnc2cc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])ccc21 ZINC000925813985 628866627 /nfs/dbraw/zinc/86/66/27/628866627.db2.gz WKIYOVTYLXVSLI-ZIAGYGMSSA-N 2 1 272.396 2.323 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000261527700 628921871 /nfs/dbraw/zinc/92/18/71/628921871.db2.gz GDWZKUZEAWDONN-BDAKNGLRSA-N 2 1 257.175 2.274 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000925834413 628930471 /nfs/dbraw/zinc/93/04/71/628930471.db2.gz HBBMQSWEUCWZRL-AGIUHOORSA-N 2 1 293.377 2.133 20 0 CEADMP C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1c[nH+]ccc1N ZINC000925837888 628936030 /nfs/dbraw/zinc/93/60/30/628936030.db2.gz TZEOTFOIHIBPAL-CABZTGNLSA-N 2 1 290.333 2.027 20 0 CEADMP CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)C2)n1 ZINC000925872204 628970711 /nfs/dbraw/zinc/97/07/11/628970711.db2.gz AWXABGPTWDLLNA-SYQHCUMBSA-N 2 1 292.427 2.388 20 0 CEADMP Cc1cc(F)c(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c(F)c1 ZINC000925873575 628972819 /nfs/dbraw/zinc/97/28/19/628972819.db2.gz CBUMKGNUSKERIA-HZMBPMFUSA-N 2 1 254.324 2.490 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000925879421 628979503 /nfs/dbraw/zinc/97/95/03/628979503.db2.gz DMEZZAVIESHQDP-ORQFMDKSSA-N 3 1 273.424 2.197 20 0 CEADMP Cn1ncc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1C1CC1 ZINC000893857490 629018825 /nfs/dbraw/zinc/01/88/25/629018825.db2.gz PCDMWIFYWQBUCU-UHFFFAOYSA-N 2 1 288.439 2.358 20 0 CEADMP Cc1cc(CNc2nc(N)cc(C)[nH+]2)cc(N2CCCC2)[nH+]1 ZINC000893911957 629043023 /nfs/dbraw/zinc/04/30/23/629043023.db2.gz WWVWMIPUNRNUON-UHFFFAOYSA-N 2 1 298.394 2.283 20 0 CEADMP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1nc(C(C)(C)C)no1 ZINC000893970541 629068738 /nfs/dbraw/zinc/06/87/38/629068738.db2.gz CRTLKJJLOLLFPU-NSHDSACASA-N 2 1 280.416 2.360 20 0 CEADMP CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261701344 629125515 /nfs/dbraw/zinc/12/55/15/629125515.db2.gz CMLYWZGHKVCVPN-IAGOWNOFSA-N 2 1 276.424 2.350 20 0 CEADMP COCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924869203 629133911 /nfs/dbraw/zinc/13/39/11/629133911.db2.gz GCHZMQOVUKBEFN-MQVJKMGUSA-N 2 1 284.444 2.035 20 0 CEADMP CC[C@H]([NH2+]CCOC1CCSCC1)[C@@H]1CCC[NH2+]1 ZINC000902519923 634712041 /nfs/dbraw/zinc/71/20/41/634712041.db2.gz NFZSISBGXKWTPK-KBPBESRZSA-N 2 1 272.458 2.019 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC000894241605 629248241 /nfs/dbraw/zinc/24/82/41/629248241.db2.gz XTZSTQLSKAKTGS-HNNXBMFYSA-N 2 1 259.397 2.213 20 0 CEADMP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261807867 629249358 /nfs/dbraw/zinc/24/93/58/629249358.db2.gz ZJADESLWKMBIRI-AWEZNQCLSA-N 2 1 287.407 2.089 20 0 CEADMP C[NH+](C)CCC[N@H+](C)Cc1ccc2c(c1)CCCO2 ZINC000894449697 629463998 /nfs/dbraw/zinc/46/39/98/629463998.db2.gz OQTFIQUZMPIIPX-UHFFFAOYSA-N 2 1 262.397 2.395 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc2c(c1)CCCO2 ZINC000894449697 629464004 /nfs/dbraw/zinc/46/40/04/629464004.db2.gz OQTFIQUZMPIIPX-UHFFFAOYSA-N 2 1 262.397 2.395 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)nc1 ZINC000894479843 629485378 /nfs/dbraw/zinc/48/53/78/629485378.db2.gz SNRGKAYCYAZPKX-OAHLLOKOSA-N 2 1 289.423 2.254 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CC3(Cl)Cl)C2)C1 ZINC000795322108 629516740 /nfs/dbraw/zinc/51/67/40/629516740.db2.gz KTUWZLJMDHVNIW-QWRGUYRKSA-N 2 1 263.212 2.208 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CC3(Cl)Cl)C2)C1 ZINC000795322108 629516752 /nfs/dbraw/zinc/51/67/52/629516752.db2.gz KTUWZLJMDHVNIW-QWRGUYRKSA-N 2 1 263.212 2.208 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CC3(Cl)Cl)C2)C1 ZINC000795322108 629516761 /nfs/dbraw/zinc/51/67/61/629516761.db2.gz KTUWZLJMDHVNIW-QWRGUYRKSA-N 2 1 263.212 2.208 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CC3(Cl)Cl)C2)C1 ZINC000795322108 629516765 /nfs/dbraw/zinc/51/67/65/629516765.db2.gz KTUWZLJMDHVNIW-QWRGUYRKSA-N 2 1 263.212 2.208 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CC1 ZINC000894553476 629531026 /nfs/dbraw/zinc/53/10/26/629531026.db2.gz QPUCCBDLZZXRTP-JKSUJKDBSA-N 2 1 278.440 2.362 20 0 CEADMP C[C@@H]1C[N@H+](C/C=C\Cl)CCN1c1cc[nH+]cc1 ZINC000880263670 629632410 /nfs/dbraw/zinc/63/24/10/629632410.db2.gz ZWCNBLZWVKJJBD-BXETVTBUSA-N 2 1 251.761 2.345 20 0 CEADMP C[C@@H]1C[N@@H+](C/C=C\Cl)CCN1c1cc[nH+]cc1 ZINC000880263670 629632415 /nfs/dbraw/zinc/63/24/15/629632415.db2.gz ZWCNBLZWVKJJBD-BXETVTBUSA-N 2 1 251.761 2.345 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CO[C@H](C)[C@@H]2C)[C@H](C)C1 ZINC000925079831 629638747 /nfs/dbraw/zinc/63/87/47/629638747.db2.gz ZQBBKOZMVAIDNU-BPKGMFCQSA-N 2 1 298.471 2.136 20 0 CEADMP Cc1cccc([C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000220960756 629673051 /nfs/dbraw/zinc/67/30/51/629673051.db2.gz XCHWKMJHBOPWQT-RCCFBDPRSA-N 2 1 288.435 2.445 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000894903414 629743861 /nfs/dbraw/zinc/74/38/61/629743861.db2.gz KODUNUAJSGMZMU-HBDLXDMFSA-N 2 1 266.429 2.405 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000262096499 629835147 /nfs/dbraw/zinc/83/51/47/629835147.db2.gz HXTGWTNRJMJGKW-JTQLQIEISA-N 2 1 272.751 2.139 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000262096499 629835151 /nfs/dbraw/zinc/83/51/51/629835151.db2.gz HXTGWTNRJMJGKW-JTQLQIEISA-N 2 1 272.751 2.139 20 0 CEADMP CCn1cc(C[NH2+]CCC[N@H+](C)CC(C)C)c(C)n1 ZINC000895135982 629945927 /nfs/dbraw/zinc/94/59/27/629945927.db2.gz CXWFFHIHMZJJEN-UHFFFAOYSA-N 2 1 266.433 2.279 20 0 CEADMP CCn1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)c(C)n1 ZINC000895135982 629945930 /nfs/dbraw/zinc/94/59/30/629945930.db2.gz CXWFFHIHMZJJEN-UHFFFAOYSA-N 2 1 266.433 2.279 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@](C)(O)c1ccccc1 ZINC000895147760 629962658 /nfs/dbraw/zinc/96/26/58/629962658.db2.gz NURYQGRXNBVEIL-FSUMODHMSA-N 2 1 288.435 2.497 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)[NH+]1CCCCC1 ZINC000796699929 629971733 /nfs/dbraw/zinc/97/17/33/629971733.db2.gz BWVFFXHWTZWTSU-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)N1CCCCC1 ZINC000796699929 629971737 /nfs/dbraw/zinc/97/17/37/629971737.db2.gz BWVFFXHWTZWTSU-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)N1CCCCC1 ZINC000796699929 629971741 /nfs/dbraw/zinc/97/17/41/629971741.db2.gz BWVFFXHWTZWTSU-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)[NH+]1CCCCC1 ZINC000796699952 629972392 /nfs/dbraw/zinc/97/23/92/629972392.db2.gz BWVFFXHWTZWTSU-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)N1CCCCC1 ZINC000796699952 629972397 /nfs/dbraw/zinc/97/23/97/629972397.db2.gz BWVFFXHWTZWTSU-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)N1CCCCC1 ZINC000796699952 629972402 /nfs/dbraw/zinc/97/24/02/629972402.db2.gz BWVFFXHWTZWTSU-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](CC[NH2+]Cc1ccnn1-c1ccccc1)[NH+](C)C ZINC000895293520 630085297 /nfs/dbraw/zinc/08/52/97/630085297.db2.gz MUHKAWPEFWCLOB-CQSZACIVSA-N 2 1 272.396 2.302 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C)C1CC1 ZINC000895381971 630152632 /nfs/dbraw/zinc/15/26/32/630152632.db2.gz YMBJIBMTNQTWGR-FVQBIDKESA-N 2 1 268.445 2.464 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000895463625 630205330 /nfs/dbraw/zinc/20/53/30/630205330.db2.gz YNRCEIQMLIUSSR-MNNKGFPISA-N 2 1 294.439 2.323 20 0 CEADMP CCn1cncc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895556643 630248883 /nfs/dbraw/zinc/24/88/83/630248883.db2.gz LRLHXCGGWJSIGG-AWEZNQCLSA-N 2 1 285.395 2.009 20 0 CEADMP CCn1cncc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895556643 630248888 /nfs/dbraw/zinc/24/88/88/630248888.db2.gz LRLHXCGGWJSIGG-AWEZNQCLSA-N 2 1 285.395 2.009 20 0 CEADMP Cc1ccc(O[C@H]2CC[N@H+](CC3CC[NH+](C)CC3)C2)nc1 ZINC000895640138 630286842 /nfs/dbraw/zinc/28/68/42/630286842.db2.gz HRYLDCHTHAJBMG-INIZCTEOSA-N 2 1 289.423 2.185 20 0 CEADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCC[C@@H](C)C1 ZINC000895729645 630319209 /nfs/dbraw/zinc/31/92/09/630319209.db2.gz KEUPCLDPDJIYOL-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCC[C@@H](C)C1 ZINC000895729645 630319210 /nfs/dbraw/zinc/31/92/10/630319210.db2.gz KEUPCLDPDJIYOL-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000895729645 630319212 /nfs/dbraw/zinc/31/92/12/630319212.db2.gz KEUPCLDPDJIYOL-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000895729645 630319213 /nfs/dbraw/zinc/31/92/13/630319213.db2.gz KEUPCLDPDJIYOL-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000896746998 630657939 /nfs/dbraw/zinc/65/79/39/630657939.db2.gz YDBJZHYFICDHDU-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@H]1C[C@@H](C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)CCO1 ZINC000903977527 635395136 /nfs/dbraw/zinc/39/51/36/635395136.db2.gz SBCKBEUJTABFGX-BARDWOONSA-N 2 1 254.418 2.108 20 0 CEADMP CCO[C@@H](C[NH2+]C[C@H]1CCc2ccccc2C1)C[NH+](C)C ZINC000896876366 630697984 /nfs/dbraw/zinc/69/79/84/630697984.db2.gz DPZAVOJRDZORPC-YJBOKZPZSA-N 2 1 290.451 2.348 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@H](O)c2ccc(F)cn2)C[C@H]1C ZINC000799306194 631005324 /nfs/dbraw/zinc/00/53/24/631005324.db2.gz UBNUPDMCXAAKPN-INWMFGNUSA-N 2 1 295.402 2.059 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](CCO)Cc2ccccc2)CC1 ZINC000799728185 631071470 /nfs/dbraw/zinc/07/14/70/631071470.db2.gz HOXBYXJWTWGIFI-QGZVFWFLSA-N 2 1 276.424 2.054 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)COC(C)C)cn1 ZINC000800225354 631099542 /nfs/dbraw/zinc/09/95/42/631099542.db2.gz YHLAWIYKETVUOH-CYBMUJFWSA-N 2 1 288.395 2.479 20 0 CEADMP CCC[N@@H+](C)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000985484457 631104227 /nfs/dbraw/zinc/10/42/27/631104227.db2.gz KQPQIFRTGUPFQM-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000985484457 631104229 /nfs/dbraw/zinc/10/42/29/631104229.db2.gz KQPQIFRTGUPFQM-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000985484457 631104232 /nfs/dbraw/zinc/10/42/32/631104232.db2.gz KQPQIFRTGUPFQM-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000925204670 631173484 /nfs/dbraw/zinc/17/34/84/631173484.db2.gz NFFOTZVQQWQNAU-HZPDHXFCSA-N 2 1 267.461 2.325 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925204670 631173485 /nfs/dbraw/zinc/17/34/85/631173485.db2.gz NFFOTZVQQWQNAU-HZPDHXFCSA-N 2 1 267.461 2.325 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925204670 631173487 /nfs/dbraw/zinc/17/34/87/631173487.db2.gz NFFOTZVQQWQNAU-HZPDHXFCSA-N 2 1 267.461 2.325 20 0 CEADMP COC1(OC)CC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000925218482 631179430 /nfs/dbraw/zinc/17/94/30/631179430.db2.gz YLQFIVVWRPWKTQ-HNNXBMFYSA-N 2 1 282.428 2.135 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000904448727 635641055 /nfs/dbraw/zinc/64/10/55/635641055.db2.gz BZVLDTGBQWLQTP-UHFFFAOYSA-N 2 1 274.286 2.209 20 0 CEADMP C[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)CO1 ZINC000251755509 631663691 /nfs/dbraw/zinc/66/36/91/631663691.db2.gz STNDJQKVJKGIPZ-FIBILERRSA-N 2 1 252.402 2.016 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)[C@H](C)C1 ZINC000897536946 631688016 /nfs/dbraw/zinc/68/80/16/631688016.db2.gz YXBYLCSFWRXSIP-QXSJWSMHSA-N 2 1 268.445 2.248 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806161557 631721723 /nfs/dbraw/zinc/72/17/23/631721723.db2.gz ZXMNGUABNHVCNB-LBPRGKRZSA-N 2 1 276.771 2.288 20 0 CEADMP CCC[N@H+](CC)CC[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865479599 631786513 /nfs/dbraw/zinc/78/65/13/631786513.db2.gz BFDYJPJHNKQJJU-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865479599 631786518 /nfs/dbraw/zinc/78/65/18/631786518.db2.gz BFDYJPJHNKQJJU-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897608091 631814932 /nfs/dbraw/zinc/81/49/32/631814932.db2.gz KIYFJHKFRINJJW-KBPBESRZSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000897608091 631814938 /nfs/dbraw/zinc/81/49/38/631814938.db2.gz KIYFJHKFRINJJW-KBPBESRZSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000897608091 631814941 /nfs/dbraw/zinc/81/49/41/631814941.db2.gz KIYFJHKFRINJJW-KBPBESRZSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897608091 631814945 /nfs/dbraw/zinc/81/49/45/631814945.db2.gz KIYFJHKFRINJJW-KBPBESRZSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897608091 631814949 /nfs/dbraw/zinc/81/49/49/631814949.db2.gz KIYFJHKFRINJJW-KBPBESRZSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc([C@@H](C)O)s2)C1 ZINC000809616778 632112230 /nfs/dbraw/zinc/11/22/30/632112230.db2.gz YZQHQOZTLUDZCL-CHWSQXEVSA-N 2 1 297.468 2.406 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnc([C@@H](C)O)s2)C1 ZINC000809616778 632112236 /nfs/dbraw/zinc/11/22/36/632112236.db2.gz YZQHQOZTLUDZCL-CHWSQXEVSA-N 2 1 297.468 2.406 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCC1 ZINC000322850196 632245667 /nfs/dbraw/zinc/24/56/67/632245667.db2.gz PFTLYMXDUCEEBH-ZNMIVQPWSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CCC1 ZINC000322850196 632245671 /nfs/dbraw/zinc/24/56/71/632245671.db2.gz PFTLYMXDUCEEBH-ZNMIVQPWSA-N 2 1 252.402 2.018 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000926951816 632383086 /nfs/dbraw/zinc/38/30/86/632383086.db2.gz XWXATLLJNPONNW-JOYOIKCWSA-N 2 1 262.319 2.401 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCF)C[NH+](C)C ZINC000926957363 632384481 /nfs/dbraw/zinc/38/44/81/632384481.db2.gz AIZYJHZAAJPBSJ-MGPQQGTHSA-N 2 1 260.397 2.071 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)C[NH+](C)C ZINC000926958044 632384541 /nfs/dbraw/zinc/38/45/41/632384541.db2.gz DNBSOKIIDRQYJH-KBUPBQIOSA-N 2 1 256.434 2.367 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C)C[NH+](C)C ZINC000926958574 632385941 /nfs/dbraw/zinc/38/59/41/632385941.db2.gz GTBGAWLLJIJNRP-RBSFLKMASA-N 2 1 286.460 2.135 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C(C)(C)CO ZINC000924754402 632784706 /nfs/dbraw/zinc/78/47/06/632784706.db2.gz SYJZXVFZUXOITP-UONOGXRCSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C(C)(C)CO ZINC000924754402 632784709 /nfs/dbraw/zinc/78/47/09/632784709.db2.gz SYJZXVFZUXOITP-UONOGXRCSA-N 2 1 270.461 2.494 20 0 CEADMP Cc1cccc([C@@H](O)C[N@@H+]2CCC23CC[NH+](C)CC3)c1 ZINC000899909416 633084737 /nfs/dbraw/zinc/08/47/37/633084737.db2.gz BOMORXHYAWUTRA-INIZCTEOSA-N 2 1 274.408 2.199 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000899911343 633097014 /nfs/dbraw/zinc/09/70/14/633097014.db2.gz SJRPKXRWQKOWFX-OAHLLOKOSA-N 2 1 278.371 2.029 20 0 CEADMP C[NH+]1CCC2(CC[N@H+]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000899911343 633097023 /nfs/dbraw/zinc/09/70/23/633097023.db2.gz SJRPKXRWQKOWFX-OAHLLOKOSA-N 2 1 278.371 2.029 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000817905182 633764639 /nfs/dbraw/zinc/76/46/39/633764639.db2.gz CNVLLJYBTQNSLU-IJLUTSLNSA-N 2 1 289.206 2.496 20 0 CEADMP C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000817906065 633766521 /nfs/dbraw/zinc/76/65/21/633766521.db2.gz XJCOYRIWVVNCCK-OCVGTWLNSA-N 2 1 262.397 2.229 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817922749 633780001 /nfs/dbraw/zinc/78/00/01/633780001.db2.gz LIIDHXHVJDXNBP-CCGTUFIJSA-N 2 1 288.435 2.404 20 0 CEADMP C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817924056 633780926 /nfs/dbraw/zinc/78/09/26/633780926.db2.gz LVGLAYOXFPLFJB-CWRNSKLLSA-N 2 1 262.397 2.014 20 0 CEADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000817953616 633797544 /nfs/dbraw/zinc/79/75/44/633797544.db2.gz PNNFPNZRJSHELC-KOLCDFICSA-N 2 1 250.308 2.449 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000817960085 633803424 /nfs/dbraw/zinc/80/34/24/633803424.db2.gz WXOLKHGXLUBXMI-SWLSCSKDSA-N 2 1 291.395 2.277 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)[C@H](C)[NH3+] ZINC000817977927 633822201 /nfs/dbraw/zinc/82/22/01/633822201.db2.gz RRPQNINTYNBKDV-TUAOUCFPSA-N 2 1 277.368 2.030 20 0 CEADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)n(C)n1 ZINC000817985389 633828927 /nfs/dbraw/zinc/82/89/27/633828927.db2.gz JPEZPVCDCTYAOL-QWHCGFSZSA-N 2 1 262.401 2.054 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000900830303 633860527 /nfs/dbraw/zinc/86/05/27/633860527.db2.gz SQRZBHYNELBFNK-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000900830303 633860533 /nfs/dbraw/zinc/86/05/33/633860533.db2.gz SQRZBHYNELBFNK-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000900830303 633860536 /nfs/dbraw/zinc/86/05/36/633860536.db2.gz SQRZBHYNELBFNK-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1nn(C)c(Cl)c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000818431832 633920935 /nfs/dbraw/zinc/92/09/35/633920935.db2.gz UTYUCKRYSLQBHS-NSHDSACASA-N 2 1 296.846 2.346 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)c1ccccc1C ZINC000818965483 634020230 /nfs/dbraw/zinc/02/02/30/634020230.db2.gz IMQSJGANXJVRHO-DYVFJYSZSA-N 2 1 287.407 2.459 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cc2C)C1 ZINC000818981128 634027869 /nfs/dbraw/zinc/02/78/69/634027869.db2.gz RCSBVTSSDPVXEE-PBHICJAKSA-N 2 1 294.414 2.489 20 0 CEADMP C[C@H](CC[NH2+]C[C@@H](O)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000819126715 634075825 /nfs/dbraw/zinc/07/58/25/634075825.db2.gz QQHDSRIDHYNNNB-RHSMWYFYSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)C1=CC[N@@H+](C)CC1 ZINC000819220066 634107768 /nfs/dbraw/zinc/10/77/68/634107768.db2.gz JZMWGTIJJINYHT-BLLLJJGKSA-N 2 1 278.371 2.099 20 0 CEADMP CCO[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000902799942 634839639 /nfs/dbraw/zinc/83/96/39/634839639.db2.gz ICMDGRULGNBDME-BRWVUGGUSA-N 2 1 298.471 2.161 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822621374 634956704 /nfs/dbraw/zinc/95/67/04/634956704.db2.gz IUJONEKJWBFLCT-QWRGUYRKSA-N 2 1 265.228 2.454 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822621374 634956705 /nfs/dbraw/zinc/95/67/05/634956705.db2.gz IUJONEKJWBFLCT-QWRGUYRKSA-N 2 1 265.228 2.454 20 0 CEADMP CO[C@@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903090210 634964625 /nfs/dbraw/zinc/96/46/25/634964625.db2.gz XCJVQGZZAYKRIJ-YPRXJGMQSA-N 2 1 252.402 2.159 20 0 CEADMP CC[C@@H](C)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903097199 634977567 /nfs/dbraw/zinc/97/75/67/634977567.db2.gz QKNRNIJFWLUDNT-XZMUVTDLSA-N 2 1 266.429 2.141 20 0 CEADMP CO[C@H]1CCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000903166160 634995825 /nfs/dbraw/zinc/99/58/25/634995825.db2.gz VTOWITDKRDXKBW-CVSAEHQPSA-N 2 1 252.402 2.160 20 0 CEADMP c1nc2c([nH]1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CC2 ZINC000903173131 634998437 /nfs/dbraw/zinc/99/84/37/634998437.db2.gz XMHWJMMXTFGWHZ-YPRXJGMQSA-N 2 1 286.423 2.014 20 0 CEADMP c1nc2c([nH]1)CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)C2 ZINC000903173131 634998442 /nfs/dbraw/zinc/99/84/42/634998442.db2.gz XMHWJMMXTFGWHZ-YPRXJGMQSA-N 2 1 286.423 2.014 20 0 CEADMP c1nc2c([nH]1)CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)C2 ZINC000903173131 634998443 /nfs/dbraw/zinc/99/84/43/634998443.db2.gz XMHWJMMXTFGWHZ-YPRXJGMQSA-N 2 1 286.423 2.014 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CCc2ccccc2)CC[N@@H+]1C ZINC000903290567 635054006 /nfs/dbraw/zinc/05/40/06/635054006.db2.gz YXHQOKPLWJRHOC-DJIMGWMZSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CCc2ccccc2)CC[N@H+]1C ZINC000903290567 635054010 /nfs/dbraw/zinc/05/40/10/635054010.db2.gz YXHQOKPLWJRHOC-DJIMGWMZSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@H](CCCCO)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903380733 635093430 /nfs/dbraw/zinc/09/34/30/635093430.db2.gz OPNOYXYWMRYKIJ-GDBMZVCRSA-N 2 1 279.428 2.215 20 0 CEADMP CCCO[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903435182 635116805 /nfs/dbraw/zinc/11/68/05/635116805.db2.gz QGVQFRCWOHYNJR-QLFBSQMISA-N 2 1 254.418 2.123 20 0 CEADMP COC[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C(C)C ZINC000903453593 635136887 /nfs/dbraw/zinc/13/68/87/635136887.db2.gz CYSXKBAEBSNYNA-OWCLPIDISA-N 2 1 268.445 2.369 20 0 CEADMP c1cc(CC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)sn1 ZINC000903453569 635136984 /nfs/dbraw/zinc/13/69/84/635136984.db2.gz CESRGJFYDVITRF-GXTWGEPZSA-N 2 1 265.426 2.150 20 0 CEADMP c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903456408 635139103 /nfs/dbraw/zinc/13/91/03/635139103.db2.gz HOMCZQBGNJAPDG-CABCVRRESA-N 2 1 284.407 2.253 20 0 CEADMP c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903456408 635139106 /nfs/dbraw/zinc/13/91/06/635139106.db2.gz HOMCZQBGNJAPDG-CABCVRRESA-N 2 1 284.407 2.253 20 0 CEADMP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1CCC2(CCCC2)O1 ZINC000903472656 635142520 /nfs/dbraw/zinc/14/25/20/635142520.db2.gz UGMGPFSCAXRCCB-ZIAGYGMSSA-N 2 1 264.413 2.352 20 0 CEADMP CC1(C)CCC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)O1 ZINC000903472671 635142984 /nfs/dbraw/zinc/14/29/84/635142984.db2.gz UNFZBHSQLNQJAE-OLZOCXBDSA-N 2 1 252.402 2.208 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)C1 ZINC000903476357 635145323 /nfs/dbraw/zinc/14/53/23/635145323.db2.gz VEPDDPJMRNTHRI-BJJXKVORSA-N 2 1 278.371 2.406 20 0 CEADMP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@H]1CCC2(CCC2)O1 ZINC000903481887 635149647 /nfs/dbraw/zinc/14/96/47/635149647.db2.gz PNXMRAANQCOUAW-ZIAGYGMSSA-N 2 1 264.413 2.352 20 0 CEADMP CN(CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000903483497 635150944 /nfs/dbraw/zinc/15/09/44/635150944.db2.gz HYRAYTDUXCMQAS-MRXNPFEDSA-N 2 1 273.424 2.387 20 0 CEADMP Fc1ccc(OCCC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903466184 635153347 /nfs/dbraw/zinc/15/33/47/635153347.db2.gz QZSUCRSZWMCXBB-OAHLLOKOSA-N 2 1 278.371 2.469 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@H]1CC[NH3+] ZINC000903498298 635154375 /nfs/dbraw/zinc/15/43/75/635154375.db2.gz CPOQFAUWKFLHRN-NJMOYASZSA-N 2 1 258.356 2.194 20 0 CEADMP c1ccc([C@]23C[C@H]2C[N@H+](CC[C@H]2CC[NH2+]C2)C3)cc1 ZINC000903491067 635156339 /nfs/dbraw/zinc/15/63/39/635156339.db2.gz UCOIVZIXTNZGRU-HYVNUMGLSA-N 2 1 256.393 2.260 20 0 CEADMP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494536 635157548 /nfs/dbraw/zinc/15/75/48/635157548.db2.gz IYYBKKHFRAJYLN-RBSFLKMASA-N 2 1 289.423 2.239 20 0 CEADMP CCc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496285 635157608 /nfs/dbraw/zinc/15/76/08/635157608.db2.gz IDXCITLDAZWNCD-UKRRQHHQSA-N 2 1 289.423 2.104 20 0 CEADMP CCC(CC)[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903721967 635235217 /nfs/dbraw/zinc/23/52/17/635235217.db2.gz GOWACYAGNDLTLK-CVEARBPZSA-N 2 1 266.429 2.408 20 0 CEADMP CCCC[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903722383 635236195 /nfs/dbraw/zinc/23/61/95/635236195.db2.gz LRHUCPSFYMLMSG-CABCVRRESA-N 2 1 252.402 2.020 20 0 CEADMP Oc1ccc2c(c1)CC[N@H+](C[C@H]1CCCC[NH2+]C1)CC2 ZINC000903725521 635238552 /nfs/dbraw/zinc/23/85/52/635238552.db2.gz CAWSQTZSRRQYBU-AWEZNQCLSA-N 2 1 274.408 2.183 20 0 CEADMP C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729201 635241287 /nfs/dbraw/zinc/24/12/87/635241287.db2.gz KSIJFDXCWFBWCD-COXVUDFISA-N 2 1 290.407 2.154 20 0 CEADMP C[N@@H+](C[C@H]1CCC[C@@H](C(F)(F)F)O1)C1CC[NH2+]CC1 ZINC000903713348 635243998 /nfs/dbraw/zinc/24/39/98/635243998.db2.gz NXZGWTCGZSMKSC-NEPJUHHUSA-N 2 1 280.334 2.170 20 0 CEADMP c1cc(C[NH+]2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)cs1 ZINC000903734256 635250083 /nfs/dbraw/zinc/25/00/83/635250083.db2.gz WTJOQHAXLFLIDQ-OAHLLOKOSA-N 2 1 293.480 2.255 20 0 CEADMP Fc1cccc([C@@H]2CC[N@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903733913 635250231 /nfs/dbraw/zinc/25/02/31/635250231.db2.gz MWAAFTOSGPOZMX-IKGGRYGDSA-N 2 1 290.382 2.341 20 0 CEADMP C[N@@H+](CCc1cccs1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733462 635250436 /nfs/dbraw/zinc/25/04/36/635250436.db2.gz KNCZWSGLACDGQT-CQSZACIVSA-N 2 1 294.464 2.381 20 0 CEADMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903734748 635251417 /nfs/dbraw/zinc/25/14/17/635251417.db2.gz VZMWNJWPAGPXFY-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000903740593 635252777 /nfs/dbraw/zinc/25/27/77/635252777.db2.gz XMUXCPINFLIUID-IRXDYDNUSA-N 3 1 279.472 2.326 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000903740593 635252781 /nfs/dbraw/zinc/25/27/81/635252781.db2.gz XMUXCPINFLIUID-IRXDYDNUSA-N 3 1 279.472 2.326 20 0 CEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903760256 635255982 /nfs/dbraw/zinc/25/59/82/635255982.db2.gz WLRZEEZBJIPHNH-SOUVJXGZSA-N 2 1 266.429 2.266 20 0 CEADMP c1ccc(C23CC(C2)C[N@@H+]3C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903767076 635258200 /nfs/dbraw/zinc/25/82/00/635258200.db2.gz TURSCVKMQTUHOI-FTJRRQOFSA-N 2 1 298.430 2.376 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000903755268 635260824 /nfs/dbraw/zinc/26/08/24/635260824.db2.gz DNSBZVCPTOMTMO-JZXOWHBKSA-N 2 1 291.483 2.325 20 0 CEADMP CC[NH+](CC)CCCN1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790924 635261858 /nfs/dbraw/zinc/26/18/58/635261858.db2.gz HVYPSOCPXDFPOJ-UHFFFAOYSA-N 2 1 269.477 2.415 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000903788015 635269825 /nfs/dbraw/zinc/26/98/25/635269825.db2.gz AFQJKSWKPGPRQY-JSGCOSHPSA-N 2 1 264.417 2.189 20 0 CEADMP Cc1noc([C@H](C)[NH+]2CCC(C(C)(C)C[NH3+])CC2)n1 ZINC000903788827 635271029 /nfs/dbraw/zinc/27/10/29/635271029.db2.gz HYBWGBVFKQIEJV-JTQLQIEISA-N 2 1 266.389 2.136 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2CCCc1ccncc1 ZINC000903802569 635279206 /nfs/dbraw/zinc/27/92/06/635279206.db2.gz SKURJFDDGGNKTM-HZPDHXFCSA-N 2 1 259.397 2.218 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CCCc1ccncc1 ZINC000903802569 635279210 /nfs/dbraw/zinc/27/92/10/635279210.db2.gz SKURJFDDGGNKTM-HZPDHXFCSA-N 2 1 259.397 2.218 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2C[C@H](O)CC1CCCC1 ZINC000903804256 635280880 /nfs/dbraw/zinc/28/08/80/635280880.db2.gz CWUVFECLQNFWHB-BZUAXINKSA-N 2 1 266.429 2.131 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2C[C@H](O)CC1CCCC1 ZINC000903804256 635280886 /nfs/dbraw/zinc/28/08/86/635280886.db2.gz CWUVFECLQNFWHB-BZUAXINKSA-N 2 1 266.429 2.131 20 0 CEADMP CC(C)=CCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818453 635287619 /nfs/dbraw/zinc/28/76/19/635287619.db2.gz LWLGMLOXSQHKDJ-UHFFFAOYSA-N 2 1 252.402 2.187 20 0 CEADMP C(C[N@H+]1CCCSC[C@H]1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000903826957 635294832 /nfs/dbraw/zinc/29/48/32/635294832.db2.gz PCVKCBHAYNZXAV-JSGCOSHPSA-N 2 1 254.443 2.204 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCC[C@H](C(F)(F)F)O1)C2 ZINC000903840464 635299599 /nfs/dbraw/zinc/29/95/99/635299599.db2.gz QVUNKGNAJRVGJE-OBPIAQAESA-N 2 1 292.345 2.298 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCCCC1CCOCC1 ZINC000903861254 635312687 /nfs/dbraw/zinc/31/26/87/635312687.db2.gz WMMPUZGZJMOJSG-CVEARBPZSA-N 2 1 266.429 2.397 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCCCC1CCOCC1 ZINC000903861254 635312692 /nfs/dbraw/zinc/31/26/92/635312692.db2.gz WMMPUZGZJMOJSG-CVEARBPZSA-N 2 1 266.429 2.397 20 0 CEADMP CCC[N@H+](C[C@H]([NH3+])CC(F)F)C[C@@H]1CCCCO1 ZINC000903890876 635318112 /nfs/dbraw/zinc/31/81/12/635318112.db2.gz HFKBYVAZAQVFBT-NEPJUHHUSA-N 2 1 264.360 2.250 20 0 CEADMP CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@@H]1CCCCO1 ZINC000903890876 635318116 /nfs/dbraw/zinc/31/81/16/635318116.db2.gz HFKBYVAZAQVFBT-NEPJUHHUSA-N 2 1 264.360 2.250 20 0 CEADMP C[C@]12CSC[C@H]1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000903870826 635320024 /nfs/dbraw/zinc/32/00/24/635320024.db2.gz KVXNSOMHKWALFH-MJBXVCDLSA-N 2 1 254.443 2.061 20 0 CEADMP C[C@]1(C2CC2)COCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903880778 635325083 /nfs/dbraw/zinc/32/50/83/635325083.db2.gz CTUJJBLNXGKZLM-GOSISDBHSA-N 2 1 286.419 2.333 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]([C@H](C)C2CC2)C2CC2)cnn1C ZINC000903883513 635325971 /nfs/dbraw/zinc/32/59/71/635325971.db2.gz IOOWJEHOYWFIBQ-KGLIPLIRSA-N 2 1 290.455 2.109 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]([C@@H](C)C2CC2)C2CC2)cnn1C ZINC000903883511 635326367 /nfs/dbraw/zinc/32/63/67/635326367.db2.gz IOOWJEHOYWFIBQ-KBPBESRZSA-N 2 1 290.455 2.109 20 0 CEADMP C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903895832 635331589 /nfs/dbraw/zinc/33/15/89/635331589.db2.gz QEVGWRWRBQZKPD-XJKSGUPXSA-N 2 1 274.408 2.068 20 0 CEADMP C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903909976 635344082 /nfs/dbraw/zinc/34/40/82/635344082.db2.gz YTDZHKLXWBTLRP-SDKNFDLMSA-N 2 1 266.429 2.142 20 0 CEADMP Cn1ccnc1[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903913253 635346928 /nfs/dbraw/zinc/34/69/28/635346928.db2.gz NVIDZLRLVFRSON-PNRVRQOCSA-N 2 1 288.439 2.130 20 0 CEADMP Cn1c2ccc(Cl)cc2nc1C[NH2+]CCC(C)(C)[NH3+] ZINC000903939162 635349947 /nfs/dbraw/zinc/34/99/47/635349947.db2.gz SDXOBLQOECOCJF-UHFFFAOYSA-N 2 1 280.803 2.444 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1ccccc1Cn1cccn1)CC(F)F ZINC000903924240 635353242 /nfs/dbraw/zinc/35/32/42/635353242.db2.gz AFYDYANENCBFSU-AWEZNQCLSA-N 2 1 294.349 2.004 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000903930251 635356654 /nfs/dbraw/zinc/35/66/54/635356654.db2.gz VUWFHGLVKYCVNS-LMBMLGAESA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1)C(C)(C)C ZINC000903937378 635362431 /nfs/dbraw/zinc/36/24/31/635362431.db2.gz JORWVTMJBKKEKM-ZIAGYGMSSA-N 2 1 293.459 2.317 20 0 CEADMP CCC[C@]1(CO)CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903917293 635365476 /nfs/dbraw/zinc/36/54/76/635365476.db2.gz YNVAXELUXCEJER-WTXIUTQJSA-N 2 1 266.429 2.144 20 0 CEADMP c1cc2c(c(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)c1)OCO2 ZINC000903960177 635369030 /nfs/dbraw/zinc/36/90/30/635369030.db2.gz YFXQKCLGEGECGR-KRWDZBQOSA-N 2 1 288.391 2.381 20 0 CEADMP c1cc2c(c(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)c1)OCO2 ZINC000903960177 635369035 /nfs/dbraw/zinc/36/90/35/635369035.db2.gz YFXQKCLGEGECGR-KRWDZBQOSA-N 2 1 288.391 2.381 20 0 CEADMP C[C@@H](C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)C(C)(C)C ZINC000903970356 635390393 /nfs/dbraw/zinc/39/03/93/635390393.db2.gz VWZSRDSZXRRVHP-UONOGXRCSA-N 2 1 268.445 2.417 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903963690 635397748 /nfs/dbraw/zinc/39/77/48/635397748.db2.gz FYDWYBFMVWQDHD-YALNPMBYSA-N 2 1 273.424 2.019 20 0 CEADMP CC(C)Cc1ncc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000903963965 635397906 /nfs/dbraw/zinc/39/79/06/635397906.db2.gz BKHXRQDWQNMGBL-NEPJUHHUSA-N 2 1 267.442 2.287 20 0 CEADMP CCCn1c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)nc2ccccc21 ZINC000903964287 635399118 /nfs/dbraw/zinc/39/91/18/635399118.db2.gz HXCKOIFIRIRKAM-KGLIPLIRSA-N 2 1 286.423 2.391 20 0 CEADMP COC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000824988654 635535822 /nfs/dbraw/zinc/53/58/22/635535822.db2.gz QIFGZLQFWOKRJV-MQVJKMGUSA-N 2 1 288.391 2.188 20 0 CEADMP COC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000824988654 635535826 /nfs/dbraw/zinc/53/58/26/635535826.db2.gz QIFGZLQFWOKRJV-MQVJKMGUSA-N 2 1 288.391 2.188 20 0 CEADMP COC(=O)c1ccc(C[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904312810 635560317 /nfs/dbraw/zinc/56/03/17/635560317.db2.gz UMMHDYJWZBDMNH-KRWDZBQOSA-N 2 1 290.407 2.295 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904312810 635560321 /nfs/dbraw/zinc/56/03/21/635560321.db2.gz UMMHDYJWZBDMNH-KRWDZBQOSA-N 2 1 290.407 2.295 20 0 CEADMP C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904315369 635561920 /nfs/dbraw/zinc/56/19/20/635561920.db2.gz AQQRWFQQZIUYDD-WMHQRMGPSA-N 2 1 260.381 2.186 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H](c2ccccc2)CO1 ZINC000904325184 635570611 /nfs/dbraw/zinc/57/06/11/635570611.db2.gz RYFGZIYFDBXTMV-WMHQRMGPSA-N 2 1 260.381 2.186 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904323984 635570665 /nfs/dbraw/zinc/57/06/65/635570665.db2.gz BBKYAZICGPWUMR-HZPDHXFCSA-N 2 1 267.461 2.040 20 0 CEADMP CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328365 635573555 /nfs/dbraw/zinc/57/35/55/635573555.db2.gz OCMQJJKQCRGYBG-XJFOESAGSA-N 2 1 254.418 2.249 20 0 CEADMP C[C@]1(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC[NH2+]C1 ZINC000904328158 635573779 /nfs/dbraw/zinc/57/37/79/635573779.db2.gz MDOUEKQDQPVBNF-NJAFHUGGSA-N 2 1 291.483 2.325 20 0 CEADMP C[C@]1(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CCC[NH2+]C1 ZINC000904328158 635573782 /nfs/dbraw/zinc/57/37/82/635573782.db2.gz MDOUEKQDQPVBNF-NJAFHUGGSA-N 2 1 291.483 2.325 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CCC[NH2+]C1 ZINC000904328158 635573786 /nfs/dbraw/zinc/57/37/86/635573786.db2.gz MDOUEKQDQPVBNF-NJAFHUGGSA-N 2 1 291.483 2.325 20 0 CEADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904329407 635574747 /nfs/dbraw/zinc/57/47/47/635574747.db2.gz YQCDDISJKLRRGY-RDJZCZTQSA-N 2 1 296.455 2.431 20 0 CEADMP CCOC(=O)CC[C@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904329408 635575380 /nfs/dbraw/zinc/57/53/80/635575380.db2.gz YQCDDISJKLRRGY-WBVHZDCISA-N 2 1 296.455 2.431 20 0 CEADMP C[C@@H]1[C@H](C)N(C[C@H]([NH3+])CCC(C)(C)C)CC[N@@H+]1C ZINC000904346176 635582032 /nfs/dbraw/zinc/58/20/32/635582032.db2.gz PWZNRMVUDTUNKP-HZSPNIEDSA-N 2 1 255.450 2.164 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1C ZINC000904353832 635585450 /nfs/dbraw/zinc/58/54/50/635585450.db2.gz SFOCZFWDIFFQHP-CQSZACIVSA-N 2 1 278.396 2.245 20 0 CEADMP CN(C)C(=O)c1cccc(C[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000904354485 635586766 /nfs/dbraw/zinc/58/67/66/635586766.db2.gz ZVIIGKIOBBOFOD-UHFFFAOYSA-N 2 1 289.423 2.140 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000904370836 635592402 /nfs/dbraw/zinc/59/24/02/635592402.db2.gz FLJFPYFLKODOIY-DOMZBBRYSA-N 2 1 290.407 2.198 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCO3)C[C@H]1C[NH3+] ZINC000904385174 635607416 /nfs/dbraw/zinc/60/74/16/635607416.db2.gz UKRCXAKTPQBAKB-SWLSCSKDSA-N 2 1 260.381 2.038 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000904385342 635607427 /nfs/dbraw/zinc/60/74/27/635607427.db2.gz VYFHESWAJSYBLW-QGZVFWFLSA-N 3 1 275.440 2.342 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000904406181 635613844 /nfs/dbraw/zinc/61/38/44/635613844.db2.gz SYHKDOBGNJHCAU-ZDUSSCGKSA-N 2 1 255.365 2.406 20 0 CEADMP C[C@@H]1C[N@@H+](CC2=Cc3ccccc3OC2)CC[C@@H]1C[NH3+] ZINC000904409657 635614845 /nfs/dbraw/zinc/61/48/45/635614845.db2.gz FPOKWCXLRUPUJH-CZUORRHYSA-N 2 1 272.392 2.379 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nccn2-c2ccccc2)CC[C@@H]1C[NH3+] ZINC000904410192 635614911 /nfs/dbraw/zinc/61/49/11/635614911.db2.gz LYIJGQCZHTUHAX-LSDHHAIUSA-N 2 1 284.407 2.289 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(OC)c1 ZINC000904410066 635617022 /nfs/dbraw/zinc/61/70/22/635617022.db2.gz AARXLXRVXOWCRC-CHWSQXEVSA-N 2 1 278.396 2.121 20 0 CEADMP C[C@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)CC[C@H]1C[NH3+] ZINC000904411289 635619566 /nfs/dbraw/zinc/61/95/66/635619566.db2.gz UBRMSSLVIBFHLJ-YOEHRIQHSA-N 2 1 288.435 2.471 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1OC ZINC000904412937 635620297 /nfs/dbraw/zinc/62/02/97/635620297.db2.gz ZQOJAYQKWOEPBT-GXTWGEPZSA-N 2 1 278.396 2.121 20 0 CEADMP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCN1c1ccccc1 ZINC000904469624 635647039 /nfs/dbraw/zinc/64/70/39/635647039.db2.gz NZMFVKSTPKUMOG-NVXWUHKLSA-N 2 1 273.424 2.197 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCN1c1ccccc1 ZINC000904469624 635647041 /nfs/dbraw/zinc/64/70/41/635647041.db2.gz NZMFVKSTPKUMOG-NVXWUHKLSA-N 2 1 273.424 2.197 20 0 CEADMP c1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000904475703 635649668 /nfs/dbraw/zinc/64/96/68/635649668.db2.gz PSMHUPQKCGNQSY-FUHWJXTLSA-N 2 1 295.386 2.427 20 0 CEADMP C[N@@H+](CCNC(=O)Nc1ccccc1C[NH3+])C1CCCC1 ZINC000904657836 635689158 /nfs/dbraw/zinc/68/91/58/635689158.db2.gz BNUBMMBKXCGHLE-UHFFFAOYSA-N 2 1 290.411 2.141 20 0 CEADMP CCN(C)[C@H](c1nc(C2([NH3+])CC2)no1)c1ccccc1 ZINC000905321206 636218294 /nfs/dbraw/zinc/21/82/94/636218294.db2.gz DYCAIWNDNUYMCM-LBPRGKRZSA-N 2 1 272.352 2.059 20 0 CEADMP C[NH+](C)Cc1c2ccccc2oc1-c1nc(C2([NH3+])CC2)no1 ZINC000905322794 636220350 /nfs/dbraw/zinc/22/03/50/636220350.db2.gz ZFBAVYNMXZWJII-UHFFFAOYSA-N 2 1 298.346 2.492 20 0 CEADMP Cc1cc(C)c(Cn2cc(C[NH2+]C(C)C)nn2)c(C)[nH+]1 ZINC000905813015 636482399 /nfs/dbraw/zinc/48/23/99/636482399.db2.gz OUIPIAGEFVONBP-UHFFFAOYSA-N 2 1 273.384 2.145 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000906508727 636760231 /nfs/dbraw/zinc/76/02/31/636760231.db2.gz WVFWUOMPGBBKLO-ZKCHVHJHSA-N 2 1 261.188 2.090 20 0 CEADMP Cc1cccc(C2([NH2+]C[C@H](O)C[NH+]3CCCC3)CCC2)c1 ZINC000829865132 636946055 /nfs/dbraw/zinc/94/60/55/636946055.db2.gz GQUGPPBRPBEEIJ-KRWDZBQOSA-N 2 1 288.435 2.421 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCc2ccccc21 ZINC000909089136 637600826 /nfs/dbraw/zinc/60/08/26/637600826.db2.gz UTJPZQFPDBFFBN-NVXWUHKLSA-N 2 1 274.408 2.062 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCc2ccccc21 ZINC000909089136 637600830 /nfs/dbraw/zinc/60/08/30/637600830.db2.gz UTJPZQFPDBFFBN-NVXWUHKLSA-N 2 1 274.408 2.062 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000832720391 637652832 /nfs/dbraw/zinc/65/28/32/637652832.db2.gz DDCHPENVJIIELK-UHFFFAOYSA-N 2 1 298.390 2.256 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000832750627 637659052 /nfs/dbraw/zinc/65/90/52/637659052.db2.gz VYWSDUKUDJDWNH-CABCVRRESA-N 2 1 283.460 2.084 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)C1 ZINC000834548282 637859897 /nfs/dbraw/zinc/85/98/97/637859897.db2.gz MPHMYRCXSOCRGC-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP COc1cnc(F)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000876690226 650401638 /nfs/dbraw/zinc/40/16/38/650401638.db2.gz HXKMDOOBXWLTQR-UHFFFAOYSA-N 2 1 281.375 2.003 20 0 CEADMP COc1cnc(F)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000876690226 650401641 /nfs/dbraw/zinc/40/16/41/650401641.db2.gz HXKMDOOBXWLTQR-UHFFFAOYSA-N 2 1 281.375 2.003 20 0 CEADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)CC2 ZINC000911844930 638441498 /nfs/dbraw/zinc/44/14/98/638441498.db2.gz HCAFUXJGURCODC-SMDDNHRTSA-N 2 1 298.390 2.412 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000912298067 638635888 /nfs/dbraw/zinc/63/58/88/638635888.db2.gz WZLGJRGYBMQQCB-CQSZACIVSA-N 2 1 295.471 2.240 20 0 CEADMP C/C(=C(/F)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1CC1 ZINC000912302664 638636518 /nfs/dbraw/zinc/63/65/18/638636518.db2.gz GFFNGECYXBJWFH-AHAXBBEGSA-N 2 1 299.434 2.028 20 0 CEADMP C/C(=C(/F)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1CC1 ZINC000912302664 638636523 /nfs/dbraw/zinc/63/65/23/638636523.db2.gz GFFNGECYXBJWFH-AHAXBBEGSA-N 2 1 299.434 2.028 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877041800 639468417 /nfs/dbraw/zinc/46/84/17/639468417.db2.gz OJWJORAJLGPNFY-RYUDHWBXSA-N 2 1 295.254 2.007 20 0 CEADMP CO[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)C1CC1 ZINC000876952150 650502420 /nfs/dbraw/zinc/50/24/20/650502420.db2.gz YBZPYAIAYOSDRX-OAHLLOKOSA-N 2 1 286.379 2.090 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)n(C)n1 ZINC000840810038 639549108 /nfs/dbraw/zinc/54/91/08/639549108.db2.gz NSFYUESVHHRLDB-KGLIPLIRSA-N 2 1 264.417 2.111 20 0 CEADMP Cc1noc(C)c1C[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841006959 639615985 /nfs/dbraw/zinc/61/59/85/639615985.db2.gz JCHIIQZVDHCVJX-GXFFZTMASA-N 2 1 251.374 2.111 20 0 CEADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CCCCCCC1 ZINC000841007374 639616324 /nfs/dbraw/zinc/61/63/24/639616324.db2.gz QCNHNSDJZIHRHK-HNNXBMFYSA-N 2 1 295.471 2.228 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000841029440 639621593 /nfs/dbraw/zinc/62/15/93/639621593.db2.gz ASSCEIGXGAUMDP-HNNXBMFYSA-N 2 1 289.423 2.203 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cnc1Cl ZINC000841061429 639638241 /nfs/dbraw/zinc/63/82/41/639638241.db2.gz IWJJWAFPKPXQQL-PWSUYJOCSA-N 2 1 253.777 2.274 20 0 CEADMP C[N@@H+](Cc1ccc(SC(F)(F)F)cc1)C[C@H](O)C[NH3+] ZINC000841091999 639654812 /nfs/dbraw/zinc/65/48/12/639654812.db2.gz JFPJLBBASOFPFW-SNVBAGLBSA-N 2 1 294.342 2.050 20 0 CEADMP C[N@H+](Cc1ccc(SC(F)(F)F)cc1)C[C@H](O)C[NH3+] ZINC000841091999 639654814 /nfs/dbraw/zinc/65/48/14/639654814.db2.gz JFPJLBBASOFPFW-SNVBAGLBSA-N 2 1 294.342 2.050 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC)C1)OC ZINC000876988655 650521727 /nfs/dbraw/zinc/52/17/27/650521727.db2.gz ILQRKIMJHJJHEC-SOUVJXGZSA-N 2 1 256.434 2.369 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)C1CCC([NH3+])CC1 ZINC000841904325 639903213 /nfs/dbraw/zinc/90/32/13/639903213.db2.gz MMGWYKZSZPISSI-NFOMZHRRSA-N 2 1 298.475 2.018 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000232422435 639921678 /nfs/dbraw/zinc/92/16/78/639921678.db2.gz GUFMKTHSYQHCKU-ZDUSSCGKSA-N 2 1 266.360 2.351 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000232422435 639921681 /nfs/dbraw/zinc/92/16/81/639921681.db2.gz GUFMKTHSYQHCKU-ZDUSSCGKSA-N 2 1 266.360 2.351 20 0 CEADMP CC[C@](O)(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(F)(F)F ZINC000929697040 640022564 /nfs/dbraw/zinc/02/25/64/640022564.db2.gz PXQQTXSCZSSMCD-OLZOCXBDSA-N 2 1 294.361 2.108 20 0 CEADMP CC[C@](O)(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(F)(F)F ZINC000929697040 640022569 /nfs/dbraw/zinc/02/25/69/640022569.db2.gz PXQQTXSCZSSMCD-OLZOCXBDSA-N 2 1 294.361 2.108 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000842471912 640070857 /nfs/dbraw/zinc/07/08/57/640070857.db2.gz GLWQPZXSBYEAGJ-CQSZACIVSA-N 2 1 264.417 2.498 20 0 CEADMP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000842471912 640070866 /nfs/dbraw/zinc/07/08/66/640070866.db2.gz GLWQPZXSBYEAGJ-CQSZACIVSA-N 2 1 264.417 2.498 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000842471912 640070872 /nfs/dbraw/zinc/07/08/72/640070872.db2.gz GLWQPZXSBYEAGJ-CQSZACIVSA-N 2 1 264.417 2.498 20 0 CEADMP c1ccc([C@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)nc1 ZINC000842476263 640074983 /nfs/dbraw/zinc/07/49/83/640074983.db2.gz KKDAYTSKLXRFSR-CABCVRRESA-N 2 1 259.397 2.261 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](COC)C(C)C)C1 ZINC000929789775 640212336 /nfs/dbraw/zinc/21/23/36/640212336.db2.gz YVSAVTMECIPFHE-LSDHHAIUSA-N 2 1 256.434 2.179 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)COC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843047542 640253093 /nfs/dbraw/zinc/25/30/93/640253093.db2.gz VNEQIKIHCBOANB-SJPCQFCGSA-N 2 1 272.392 2.432 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843051896 640254660 /nfs/dbraw/zinc/25/46/60/640254660.db2.gz MFGWSEAOXDDJCU-JSGCOSHPSA-N 2 1 260.381 2.276 20 0 CEADMP C[N@@H+](Cc1nc2c(s1)CCC2)C1CCC([NH3+])CC1 ZINC000843055639 640259030 /nfs/dbraw/zinc/25/90/30/640259030.db2.gz JGWVTKZBVQTQSR-UHFFFAOYSA-N 2 1 265.426 2.334 20 0 CEADMP CC[N@@H+](C[C@H](O)c1ccc(C)cc1)C[C@H]1CCC[NH2+]C1 ZINC000843061939 640264076 /nfs/dbraw/zinc/26/40/76/640264076.db2.gz JKRJKXMLONGNCY-RDJZCZTQSA-N 2 1 276.424 2.350 20 0 CEADMP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc12 ZINC000843127601 640294577 /nfs/dbraw/zinc/29/45/77/640294577.db2.gz FDSVZDXYZUBEPM-BDAKNGLRSA-N 2 1 295.818 2.146 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000843353263 640400416 /nfs/dbraw/zinc/40/04/16/640400416.db2.gz DVXXOUVEXNEUHL-CABCVRRESA-N 2 1 295.471 2.275 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000843353263 640400418 /nfs/dbraw/zinc/40/04/18/640400418.db2.gz DVXXOUVEXNEUHL-CABCVRRESA-N 2 1 295.471 2.275 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843388978 640413463 /nfs/dbraw/zinc/41/34/63/640413463.db2.gz ZQHWNWZUPHLOOB-HZPDHXFCSA-N 3 1 267.461 2.217 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH3+])c2)C[C@H]1C ZINC000844186474 640626764 /nfs/dbraw/zinc/62/67/64/640626764.db2.gz WYDYNKYGADEJKJ-CZUORRHYSA-N 2 1 289.423 2.090 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000844222025 640635734 /nfs/dbraw/zinc/63/57/34/640635734.db2.gz QUCCYYBFYKYZHR-CQSZACIVSA-N 2 1 264.417 2.498 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993810648 640680242 /nfs/dbraw/zinc/68/02/42/640680242.db2.gz XMYBGWDJIBJNCD-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993810648 640680246 /nfs/dbraw/zinc/68/02/46/640680246.db2.gz XMYBGWDJIBJNCD-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCCN(Cc2ncc(C[NH+](C)C)s2)[C@@H]1CC[NH3+] ZINC000844902383 640860280 /nfs/dbraw/zinc/86/02/80/640860280.db2.gz QKZAZCXDBWJCFS-GXTWGEPZSA-N 2 1 296.484 2.154 20 0 CEADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2cn3ccsc3n2)C1 ZINC000925472098 641080405 /nfs/dbraw/zinc/08/04/05/641080405.db2.gz AANGUFFOHPRKGL-GHMZBOCLSA-N 2 1 278.425 2.391 20 0 CEADMP Cc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c(C)c1 ZINC000925477673 641113675 /nfs/dbraw/zinc/11/36/75/641113675.db2.gz GCDYMOJBTJNZPV-VIQHNZTISA-N 2 1 256.393 2.389 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000845997198 641147222 /nfs/dbraw/zinc/14/72/22/641147222.db2.gz WYPNNSRQFNBOKY-HUUCEWRRSA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnn2ccccc12 ZINC000845996288 641147280 /nfs/dbraw/zinc/14/72/80/641147280.db2.gz NDHQSXITZHHWSL-UHFFFAOYSA-N 2 1 274.412 2.402 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnn2ccccc12 ZINC000845996288 641147285 /nfs/dbraw/zinc/14/72/85/641147285.db2.gz NDHQSXITZHHWSL-UHFFFAOYSA-N 2 1 274.412 2.402 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCCN(c2nccs2)CC1 ZINC000846219903 641229098 /nfs/dbraw/zinc/22/90/98/641229098.db2.gz BLZUUOGHCDOKRP-UHFFFAOYSA-N 2 1 282.457 2.174 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000846223477 641233324 /nfs/dbraw/zinc/23/33/24/641233324.db2.gz LJXGTPNHNPWYBB-RDJZCZTQSA-N 3 1 279.472 2.454 20 0 CEADMP [NH3+]CCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000846223477 641233332 /nfs/dbraw/zinc/23/33/32/641233332.db2.gz LJXGTPNHNPWYBB-RDJZCZTQSA-N 3 1 279.472 2.454 20 0 CEADMP [NH3+]CCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000846223477 641233337 /nfs/dbraw/zinc/23/33/37/641233337.db2.gz LJXGTPNHNPWYBB-RDJZCZTQSA-N 3 1 279.472 2.454 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000846223477 641233340 /nfs/dbraw/zinc/23/33/40/641233340.db2.gz LJXGTPNHNPWYBB-RDJZCZTQSA-N 2 1 279.472 2.454 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000846223477 641233344 /nfs/dbraw/zinc/23/33/44/641233344.db2.gz LJXGTPNHNPWYBB-RDJZCZTQSA-N 2 1 279.472 2.454 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000846680048 641388794 /nfs/dbraw/zinc/38/87/94/641388794.db2.gz NKPPHVYIAZVAPJ-UHFFFAOYSA-N 2 1 295.471 2.228 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](CC3(Br)CC3)CC[C@@H]21 ZINC000846816346 641431630 /nfs/dbraw/zinc/43/16/30/641431630.db2.gz FUNGFDVRNKFKEC-RYUDHWBXSA-N 2 1 287.245 2.330 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CC3(Br)CC3)CC[C@@H]21 ZINC000846816346 641431634 /nfs/dbraw/zinc/43/16/34/641431634.db2.gz FUNGFDVRNKFKEC-RYUDHWBXSA-N 2 1 287.245 2.330 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CC3(Br)CC3)CC[C@@H]21 ZINC000846816346 641431637 /nfs/dbraw/zinc/43/16/37/641431637.db2.gz FUNGFDVRNKFKEC-RYUDHWBXSA-N 2 1 287.245 2.330 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3(Br)CC3)CC[C@@H]21 ZINC000846816346 641431641 /nfs/dbraw/zinc/43/16/41/641431641.db2.gz FUNGFDVRNKFKEC-RYUDHWBXSA-N 2 1 287.245 2.330 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[NH+](C)C[C@H]1CC ZINC000846988578 641511962 /nfs/dbraw/zinc/51/19/62/641511962.db2.gz MVRRHSOSQQTGIO-MRXNPFEDSA-N 2 1 297.487 2.441 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@H+](C)C[C@H]1CC ZINC000846988578 641511963 /nfs/dbraw/zinc/51/19/63/641511963.db2.gz MVRRHSOSQQTGIO-MRXNPFEDSA-N 2 1 297.487 2.441 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC000846988578 641511968 /nfs/dbraw/zinc/51/19/68/641511968.db2.gz MVRRHSOSQQTGIO-MRXNPFEDSA-N 2 1 297.487 2.441 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc(Cl)n1C ZINC000848540034 642042857 /nfs/dbraw/zinc/04/28/57/642042857.db2.gz DYYCNYMFABLKJU-UHFFFAOYSA-N 2 1 281.791 2.148 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]C(C)C)C(C)(C)C1 ZINC000995875770 642079814 /nfs/dbraw/zinc/07/98/14/642079814.db2.gz WZZNAMXSSGPKSX-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)(CNC(=[NH2+])N1CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000848986594 642208968 /nfs/dbraw/zinc/20/89/68/642208968.db2.gz KLBCRSIRLVAKBY-UHFFFAOYSA-N 2 1 286.423 2.053 20 0 CEADMP CC(C)(CNC(=[NH2+])N1CCC1)[N@H+]1CCc2ccccc2C1 ZINC000848986594 642208973 /nfs/dbraw/zinc/20/89/73/642208973.db2.gz KLBCRSIRLVAKBY-UHFFFAOYSA-N 2 1 286.423 2.053 20 0 CEADMP CNC(=[NH2+])NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989183 642211081 /nfs/dbraw/zinc/21/10/81/642211081.db2.gz CZSZYNSVOAMXBG-UKRRQHHQSA-N 2 1 274.412 2.031 20 0 CEADMP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000848996217 642215757 /nfs/dbraw/zinc/21/57/57/642215757.db2.gz LULQXTHKBMQXHG-ZDUSSCGKSA-N 2 1 290.411 2.362 20 0 CEADMP Cc1ccc([C@H](CNC(=[NH2+])NC2CCC2)[NH+]2CCCC2)o1 ZINC000849000972 642219096 /nfs/dbraw/zinc/21/90/96/642219096.db2.gz JIKMRJDHCUDZBQ-AWEZNQCLSA-N 2 1 290.411 2.391 20 0 CEADMP CC[N@H+]1CC[C@H](CNCc2ccc(C(=O)OC)cc2F)C1 ZINC000921545420 642219893 /nfs/dbraw/zinc/21/98/93/642219893.db2.gz FPHZZIYDJYISQG-GFCCVEGCSA-N 2 1 294.370 2.044 20 0 CEADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])NC2CCCCCC2)C1 ZINC000849005031 642222041 /nfs/dbraw/zinc/22/20/41/642222041.db2.gz RPAQVIRCZWTEQC-CYBMUJFWSA-N 2 1 266.433 2.165 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(C)cccc1F ZINC000849010026 642226980 /nfs/dbraw/zinc/22/69/80/642226980.db2.gz VXHZQJXXSWJKCB-ZDUSSCGKSA-N 2 1 292.402 2.232 20 0 CEADMP C[C@@H](C[NH2+]Cc1ccnn1C1CCC1)C[NH+]1CCCC1 ZINC000921552690 642232359 /nfs/dbraw/zinc/23/23/59/642232359.db2.gz MGHRWHQEPCFPLR-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP CCc1ccc(NC(=[NH2+])NCC2([NH+](C)C)CC2)cc1 ZINC000849043434 642253323 /nfs/dbraw/zinc/25/33/23/642253323.db2.gz KYHMQRHVKBNGMB-UHFFFAOYSA-N 2 1 260.385 2.279 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000849046270 642255410 /nfs/dbraw/zinc/25/54/10/642255410.db2.gz ATETWKVGDIUIAY-AWEZNQCLSA-N 2 1 268.449 2.221 20 0 CEADMP Cc1ccc([C@@H](CNC2=[NH+]CCCCN2)[NH+]2CCCC2)o1 ZINC000849216037 642286093 /nfs/dbraw/zinc/28/60/93/642286093.db2.gz RBFMZWAHLUDNOF-CQSZACIVSA-N 2 1 290.411 2.054 20 0 CEADMP CC(C)[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000997840612 642326434 /nfs/dbraw/zinc/32/64/34/642326434.db2.gz PISDDISRYCWTKX-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCC[C@H]3CCO3)C2)CC1 ZINC000877496986 650751568 /nfs/dbraw/zinc/75/15/68/650751568.db2.gz ASYBCRWXBYAJCP-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]C(C)C)CC1 ZINC000998289329 642382227 /nfs/dbraw/zinc/38/22/27/642382227.db2.gz DXFFEFWEGJIKGI-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999350884 642482295 /nfs/dbraw/zinc/48/22/95/642482295.db2.gz CIBPGIPXXYHRED-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999351162 642482544 /nfs/dbraw/zinc/48/25/44/642482544.db2.gz DCTMJHIQWANKLH-HZPDHXFCSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000999971540 642524540 /nfs/dbraw/zinc/52/45/40/642524540.db2.gz BKTYZMZGEMNVNY-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CCC2 ZINC000921750404 642577782 /nfs/dbraw/zinc/57/77/82/642577782.db2.gz VWERYLFTBGLDRY-INIZCTEOSA-N 2 1 292.471 2.365 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(CC3CCC3)c2)CCN1C ZINC000921781153 642611201 /nfs/dbraw/zinc/61/12/01/642611201.db2.gz XEMFODNBQRMCLU-CJNGLKHVSA-N 2 1 276.428 2.256 20 0 CEADMP CCC[N@H+](CCC[NH+](C)C)Cc1cnc2c(cnn2C)c1 ZINC000877528204 650769109 /nfs/dbraw/zinc/76/91/09/650769109.db2.gz VPMDKXMXUXQSJW-UHFFFAOYSA-N 2 1 289.427 2.132 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc2c(cnn2C)c1 ZINC000877528204 650769110 /nfs/dbraw/zinc/76/91/10/650769110.db2.gz VPMDKXMXUXQSJW-UHFFFAOYSA-N 2 1 289.427 2.132 20 0 CEADMP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000921824679 642693911 /nfs/dbraw/zinc/69/39/11/642693911.db2.gz ANFWCNWUINYWFV-CYBMUJFWSA-N 2 1 297.443 2.419 20 0 CEADMP c1cc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)n(C2CCC2)n1 ZINC000922063405 642861359 /nfs/dbraw/zinc/86/13/59/642861359.db2.gz IYYOATZQTVOKEH-CYBMUJFWSA-N 2 1 285.395 2.157 20 0 CEADMP CS[C@@H]1CCC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000922099003 642879021 /nfs/dbraw/zinc/87/90/21/642879021.db2.gz NAHXCCPOOQJCNB-HUUCEWRRSA-N 2 1 299.528 2.276 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1nccc2c1CCCC2 ZINC000922274137 642994503 /nfs/dbraw/zinc/99/45/03/642994503.db2.gz SMWYREDNGNGBOR-UHFFFAOYSA-N 2 1 270.380 2.026 20 0 CEADMP CS[C@@H]1CCC[C@@H]([N@@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000922274200 642994851 /nfs/dbraw/zinc/99/48/51/642994851.db2.gz UMIWNYZSFOCJOR-HZPDHXFCSA-N 2 1 299.528 2.230 20 0 CEADMP O=C1CC[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)O1 ZINC000851750981 643146036 /nfs/dbraw/zinc/14/60/36/643146036.db2.gz NMARVQZNNUKOKO-JKSUJKDBSA-N 2 1 294.439 2.280 20 0 CEADMP O=C1CC[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)O1 ZINC000851750981 643146040 /nfs/dbraw/zinc/14/60/40/643146040.db2.gz NMARVQZNNUKOKO-JKSUJKDBSA-N 2 1 294.439 2.280 20 0 CEADMP FC(F)OCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000851779100 643157931 /nfs/dbraw/zinc/15/79/31/643157931.db2.gz QHGAOVXICDDTRN-LBPRGKRZSA-N 2 1 262.344 2.176 20 0 CEADMP FC(F)OCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000851779100 643157937 /nfs/dbraw/zinc/15/79/37/643157937.db2.gz QHGAOVXICDDTRN-LBPRGKRZSA-N 2 1 262.344 2.176 20 0 CEADMP CC1(C)OC[C@H](CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)O1 ZINC000851783414 643160964 /nfs/dbraw/zinc/16/09/64/643160964.db2.gz BKDKCDNTDJQMQQ-HOTGVXAUSA-N 2 1 296.455 2.336 20 0 CEADMP CC1(C)OC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)O1 ZINC000851860029 643195362 /nfs/dbraw/zinc/19/53/62/643195362.db2.gz FOGNSCORRNOSJF-BPUTZDHNSA-N 2 1 294.439 2.087 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@]12CCC[C@H]1OCC2 ZINC000922691856 643208409 /nfs/dbraw/zinc/20/84/09/643208409.db2.gz GXQPLWATLGRJOK-CAOSSQGBSA-N 2 1 264.413 2.162 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)C[NH+](C)C ZINC000922758136 643248117 /nfs/dbraw/zinc/24/81/17/643248117.db2.gz RMMYOWVROOMZGP-BYNSBNAKSA-N 2 1 256.434 2.367 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCC3(CCOCC3)O2)CC1(C)C ZINC000922813037 643273648 /nfs/dbraw/zinc/27/36/48/643273648.db2.gz UCSQKBXJQBEYIF-HUUCEWRRSA-N 2 1 296.455 2.177 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000922806269 643275087 /nfs/dbraw/zinc/27/50/87/643275087.db2.gz VBDMLBJCVPNDQL-AWEZNQCLSA-N 2 1 252.402 2.162 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCSC3(CCC3)C2)CC1 ZINC000922843865 643289769 /nfs/dbraw/zinc/28/97/69/643289769.db2.gz YYTOLUHPVXAIBX-CYBMUJFWSA-N 2 1 254.443 2.489 20 0 CEADMP C[N@@H+](CCn1ccnc1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307138 643388336 /nfs/dbraw/zinc/38/83/36/643388336.db2.gz QCLOGIAAPBAPHX-UHFFFAOYSA-N 2 1 296.415 2.118 20 0 CEADMP C[NH+](C)C[C@@H]1CN(CC2CCCCC2)C[C@H]1C[NH+](C)C ZINC000877669800 650842521 /nfs/dbraw/zinc/84/25/21/650842521.db2.gz ZRRDEIAHBVGTHC-IAGOWNOFSA-N 2 1 281.488 2.238 20 0 CEADMP CC(C)C[C@@H](C)C[NH+]1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877671144 650843044 /nfs/dbraw/zinc/84/30/44/650843044.db2.gz RDWJPHANRHSYNX-BRWVUGGUSA-N 3 1 283.504 2.340 20 0 CEADMP CC(C)(C)SCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852707418 643520586 /nfs/dbraw/zinc/52/05/86/643520586.db2.gz IDUAKLKEKBKIFI-CQSZACIVSA-N 2 1 286.485 2.049 20 0 CEADMP CC(C)(C)SCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852707418 643520589 /nfs/dbraw/zinc/52/05/89/643520589.db2.gz IDUAKLKEKBKIFI-CQSZACIVSA-N 2 1 286.485 2.049 20 0 CEADMP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852754345 643538208 /nfs/dbraw/zinc/53/82/08/643538208.db2.gz TYIUKWIZOYZFJT-ZFWWWQNUSA-N 2 1 282.428 2.040 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H](O)Cc1ccc2ccccc2c1 ZINC000923291063 643644479 /nfs/dbraw/zinc/64/44/79/643644479.db2.gz APBZVWPGXVDNPD-ZWKOTPCHSA-N 2 1 284.403 2.166 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H](O)Cc1ccc2ccccc2c1 ZINC000923291063 643644480 /nfs/dbraw/zinc/64/44/80/643644480.db2.gz APBZVWPGXVDNPD-ZWKOTPCHSA-N 2 1 284.403 2.166 20 0 CEADMP C[N@H+](CCC[NH2+]C1CC1)Cc1ccc2c(c1)OCCO2 ZINC000923297655 643648128 /nfs/dbraw/zinc/64/81/28/643648128.db2.gz IIEREIPZGYYBAS-UHFFFAOYSA-N 2 1 276.380 2.032 20 0 CEADMP C[N@@H+](CCC[NH2+]C1CC1)Cc1ccc2c(c1)OCCO2 ZINC000923297655 643648132 /nfs/dbraw/zinc/64/81/32/643648132.db2.gz IIEREIPZGYYBAS-UHFFFAOYSA-N 2 1 276.380 2.032 20 0 CEADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923301625 643649016 /nfs/dbraw/zinc/64/90/16/643649016.db2.gz IVHUOURAVMLZJW-AWEZNQCLSA-N 2 1 299.422 2.402 20 0 CEADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301366 643649209 /nfs/dbraw/zinc/64/92/09/643649209.db2.gz GAQLEBYZPAZNIZ-ZFWWWQNUSA-N 2 1 260.381 2.058 20 0 CEADMP C[C@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303556 643650494 /nfs/dbraw/zinc/65/04/94/643650494.db2.gz GXJSBXSFZPGYDP-OLZOCXBDSA-N 2 1 278.371 2.197 20 0 CEADMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1CCOC1 ZINC000923305015 643651872 /nfs/dbraw/zinc/65/18/72/643651872.db2.gz CRHJAEFTMTWNFJ-PNRVRQOCSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316640 643655592 /nfs/dbraw/zinc/65/55/92/643655592.db2.gz PXHXJBIYGMBUFD-AUOOEQCUSA-N 2 1 274.408 2.023 20 0 CEADMP C(C[NH2+]C1CC1)C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000923318311 643655865 /nfs/dbraw/zinc/65/58/65/643655865.db2.gz ZBXYZXLQJXKFJR-ZIAGYGMSSA-N 2 1 254.443 2.489 20 0 CEADMP C(C[NH2+]C1CC1)C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000923318311 643655868 /nfs/dbraw/zinc/65/58/68/643655868.db2.gz ZBXYZXLQJXKFJR-ZIAGYGMSSA-N 2 1 254.443 2.489 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1)c1ccccc1 ZINC000923311954 643658782 /nfs/dbraw/zinc/65/87/82/643658782.db2.gz COMSDLKOLUGIBC-HOCLYGCPSA-N 2 1 274.408 2.100 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923328881 643659407 /nfs/dbraw/zinc/65/94/07/643659407.db2.gz XXYRHFGKMNHJSL-HNNXBMFYSA-N 2 1 268.445 2.393 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000923333015 643665444 /nfs/dbraw/zinc/66/54/44/643665444.db2.gz OHXFKFKEHPRCAD-VGWMRTNUSA-N 2 1 268.445 2.377 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000923348441 643672261 /nfs/dbraw/zinc/67/22/61/643672261.db2.gz HBYKFAGUHFWMCQ-SJORKVTESA-N 2 1 276.424 2.041 20 0 CEADMP CCc1onc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000923346513 643675994 /nfs/dbraw/zinc/67/59/94/643675994.db2.gz ZQOMOVXTWLPMNC-YPMHNXCESA-N 2 1 251.374 2.105 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000923346513 643675997 /nfs/dbraw/zinc/67/59/97/643675997.db2.gz ZQOMOVXTWLPMNC-YPMHNXCESA-N 2 1 251.374 2.105 20 0 CEADMP CCN1C[C@@H](C)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000923374564 643685489 /nfs/dbraw/zinc/68/54/89/643685489.db2.gz ZOVBQPHIQSVUFG-BFZKSOEOSA-N 2 1 279.472 2.322 20 0 CEADMP CC[N@@H+]1C[C@@H](C)N(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000923374564 643685490 /nfs/dbraw/zinc/68/54/90/643685490.db2.gz ZOVBQPHIQSVUFG-BFZKSOEOSA-N 2 1 279.472 2.322 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000923374564 643685492 /nfs/dbraw/zinc/68/54/92/643685492.db2.gz ZOVBQPHIQSVUFG-BFZKSOEOSA-N 2 1 279.472 2.322 20 0 CEADMP COc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)sn1 ZINC000923382196 643688553 /nfs/dbraw/zinc/68/85/53/643688553.db2.gz AYRQZVLFNSZZKL-LLVKDONJSA-N 2 1 281.425 2.116 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)C[C@@H]1C[NH3+] ZINC000923381886 643688666 /nfs/dbraw/zinc/68/86/66/643688666.db2.gz HMRHBCQWQITEAV-KTSGXFQWSA-N 2 1 298.377 2.303 20 0 CEADMP C[N@H+]1CCN(Cc2ccnn2-c2cc[nH+]cc2)CCC1(C)C ZINC000877701576 650858825 /nfs/dbraw/zinc/85/88/25/650858825.db2.gz PWTXPTDYXQMRED-UHFFFAOYSA-N 2 1 299.422 2.183 20 0 CEADMP C(C1CCCC1)[C@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923390258 643690628 /nfs/dbraw/zinc/69/06/28/643690628.db2.gz VBUAMFUEFTZOHG-CVEARBPZSA-N 2 1 278.440 2.410 20 0 CEADMP CCCCC[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923387181 643692911 /nfs/dbraw/zinc/69/29/11/643692911.db2.gz GYSAJXGAKAXNJG-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000923412639 643700913 /nfs/dbraw/zinc/70/09/13/643700913.db2.gz RXVWEWAGRNAVGG-ZMYBRWDISA-N 2 1 298.430 2.270 20 0 CEADMP O[C@H](CCc1ccccc1)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000923421814 643702661 /nfs/dbraw/zinc/70/26/61/643702661.db2.gz IGEMIQFYPRQURU-QGZVFWFLSA-N 2 1 288.435 2.198 20 0 CEADMP CCc1onc(C)c1C[N@@H+](C)CCCCCC[NH3+] ZINC000923424610 643704069 /nfs/dbraw/zinc/70/40/69/643704069.db2.gz HELYTSNSBRGUSK-UHFFFAOYSA-N 2 1 253.390 2.496 20 0 CEADMP C[C@H]1c2sccc2CC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923425559 643705221 /nfs/dbraw/zinc/70/52/21/643705221.db2.gz HLWLJNDGOJHZOM-AAEUAGOBSA-N 2 1 278.421 2.046 20 0 CEADMP O[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923427982 643707508 /nfs/dbraw/zinc/70/75/08/643707508.db2.gz NBBWLIORXIWNCG-QZTJIDSGSA-N 2 1 288.435 2.056 20 0 CEADMP Cn1nccc1[C@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923433369 643711276 /nfs/dbraw/zinc/71/12/76/643711276.db2.gz ZDLYDRLHKFTUOE-UCMJJCQDSA-N 2 1 288.439 2.478 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000923478956 643731205 /nfs/dbraw/zinc/73/12/05/643731205.db2.gz KBNJVAWSMDAVCB-JTQLQIEISA-N 2 1 254.761 2.216 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](CC[NH3+])C1)C1CCCCC1 ZINC000923479860 643731294 /nfs/dbraw/zinc/73/12/94/643731294.db2.gz DSJDVLWVRARTBQ-DZGCQCFKSA-N 2 1 254.418 2.252 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000923480970 643731646 /nfs/dbraw/zinc/73/16/46/643731646.db2.gz NEVVGLPDJCFKEW-WFASDCNBSA-N 2 1 266.360 2.184 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000923484902 643732805 /nfs/dbraw/zinc/73/28/05/643732805.db2.gz CRRWWBBDELGMNW-KRWDZBQOSA-N 2 1 276.424 2.307 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000923484711 643733077 /nfs/dbraw/zinc/73/30/77/643733077.db2.gz AXJAZSKYWARSNS-GFCCVEGCSA-N 2 1 295.814 2.339 20 0 CEADMP Cc1ccc2c(C[N@H+]3CC[C@H](CC[NH3+])C3)cc(=O)oc2c1 ZINC000923485267 643733190 /nfs/dbraw/zinc/73/31/90/643733190.db2.gz RXOWGOVEVXQUCE-ZDUSSCGKSA-N 2 1 286.375 2.272 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923495329 643733829 /nfs/dbraw/zinc/73/38/29/643733829.db2.gz ALPCNJOJTLQIGZ-OLZOCXBDSA-N 2 1 293.386 2.071 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)nc1Cl ZINC000923490277 643735514 /nfs/dbraw/zinc/73/55/14/643735514.db2.gz MFRSWAXGBZJWOR-RYUDHWBXSA-N 2 1 267.804 2.460 20 0 CEADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923491316 643736040 /nfs/dbraw/zinc/73/60/40/643736040.db2.gz HUAVMWCBWZZFCE-VXGBXAGGSA-N 2 1 295.814 2.338 20 0 CEADMP C[C@H]1C[N@@H+](CCOc2cccc(F)c2)CC[C@H]1C[NH3+] ZINC000923502159 643738370 /nfs/dbraw/zinc/73/83/70/643738370.db2.gz XSIHJYCRWABHRO-STQMWFEESA-N 2 1 266.360 2.121 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000923494580 643738410 /nfs/dbraw/zinc/73/84/10/643738410.db2.gz YBSNIHLXWYNCAF-INIZCTEOSA-N 2 1 295.471 2.134 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)cn2)CC[C@@H]1C[NH3+] ZINC000923494059 643738423 /nfs/dbraw/zinc/73/84/23/643738423.db2.gz KFPNRYFSWNTWLJ-WDEREUQCSA-N 2 1 253.777 2.152 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)CC[C@@H]1C[NH3+] ZINC000923495040 643738452 /nfs/dbraw/zinc/73/84/52/643738452.db2.gz SKGGTNWTSDAQQS-GMTAPVOTSA-N 2 1 265.228 2.487 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)CC[C@H]1C[NH3+] ZINC000923495042 643738534 /nfs/dbraw/zinc/73/85/34/643738534.db2.gz SKGGTNWTSDAQQS-OUAUKWLOSA-N 2 1 265.228 2.487 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502713 643739392 /nfs/dbraw/zinc/73/93/92/643739392.db2.gz YNOOYYOLWDUZJF-CABCVRRESA-N 2 1 262.397 2.291 20 0 CEADMP CO[C@H](C)c1nc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cs1 ZINC000923499775 643740679 /nfs/dbraw/zinc/74/06/79/643740679.db2.gz MAGDLNOHZWACOL-IJLUTSLNSA-N 2 1 283.441 2.267 20 0 CEADMP CO[C@H](C)c1nc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cs1 ZINC000923499775 643740682 /nfs/dbraw/zinc/74/06/82/643740682.db2.gz MAGDLNOHZWACOL-IJLUTSLNSA-N 2 1 283.441 2.267 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CC[C@@H]1C[NH3+] ZINC000923498281 643741275 /nfs/dbraw/zinc/74/12/75/643741275.db2.gz HHICUASFTHJWGB-GOEBONIOSA-N 2 1 284.407 2.289 20 0 CEADMP CCc1ccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923505494 643743148 /nfs/dbraw/zinc/74/31/48/643743148.db2.gz ACOJLZRLIYZXQL-UKRRQHHQSA-N 2 1 289.423 2.104 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1F ZINC000923504868 643743304 /nfs/dbraw/zinc/74/33/04/643743304.db2.gz VEPNDRYYYKGSAP-DGCLKSJQSA-N 2 1 266.360 2.251 20 0 CEADMP c1nnsc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923505299 643743615 /nfs/dbraw/zinc/74/36/15/643743615.db2.gz AHMCMRDRSJQNDB-GFCCVEGCSA-N 2 1 280.441 2.140 20 0 CEADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(Cl)c2)CC[C@H]1C[NH3+] ZINC000923510382 643746514 /nfs/dbraw/zinc/74/65/14/643746514.db2.gz SSUGLLZIUGJNNS-NEPJUHHUSA-N 2 1 295.814 2.195 20 0 CEADMP c1ccc(SCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923518780 643748194 /nfs/dbraw/zinc/74/81/94/643748194.db2.gz NTFRZRQCKXGAMM-UONOGXRCSA-N 2 1 262.422 2.320 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C1CCCC1 ZINC000923534507 643751878 /nfs/dbraw/zinc/75/18/78/643751878.db2.gz UUZSBAZHFMWRKY-HZPDHXFCSA-N 2 1 266.429 2.410 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C1CCCC1 ZINC000923534507 643751879 /nfs/dbraw/zinc/75/18/79/643751879.db2.gz UUZSBAZHFMWRKY-HZPDHXFCSA-N 2 1 266.429 2.410 20 0 CEADMP OC[C@@H]1CCCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000923529944 643752419 /nfs/dbraw/zinc/75/24/19/643752419.db2.gz FMCMLOYFCJDWBR-KRWDZBQOSA-N 2 1 274.408 2.069 20 0 CEADMP CCO[C@@H](C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)C1CC1 ZINC000923533962 643753927 /nfs/dbraw/zinc/75/39/27/643753927.db2.gz PNUXEEZCWFHPHY-GJZGRUSLSA-N 2 1 252.402 2.020 20 0 CEADMP CCO[C@@H](C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)C1CC1 ZINC000923533962 643753931 /nfs/dbraw/zinc/75/39/31/643753931.db2.gz PNUXEEZCWFHPHY-GJZGRUSLSA-N 2 1 252.402 2.020 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCOc2ccccc2[C@@H]1CO ZINC000923555321 643760743 /nfs/dbraw/zinc/76/07/43/643760743.db2.gz VKELGPRPOKGHSZ-INIZCTEOSA-N 2 1 292.423 2.324 20 0 CEADMP Cc1csc(C[C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000923551074 643761130 /nfs/dbraw/zinc/76/11/30/643761130.db2.gz JGDMXMVWVUYTGQ-KGLIPLIRSA-N 2 1 279.453 2.316 20 0 CEADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923549605 643761447 /nfs/dbraw/zinc/76/14/47/643761447.db2.gz NHUMNEVQHJFWRH-OAHLLOKOSA-N 2 1 266.429 2.267 20 0 CEADMP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000854232501 644018589 /nfs/dbraw/zinc/01/85/89/644018589.db2.gz RJDTZIPWENZDIS-MELADBBJSA-N 2 1 299.459 2.362 20 0 CEADMP COc1ccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877740631 650884869 /nfs/dbraw/zinc/88/48/69/650884869.db2.gz KPGNNLQTSLUEOG-WMLDXEAASA-N 2 1 290.407 2.100 20 0 CEADMP COc1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877740631 650884873 /nfs/dbraw/zinc/88/48/73/650884873.db2.gz KPGNNLQTSLUEOG-WMLDXEAASA-N 2 1 290.407 2.100 20 0 CEADMP COc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877740631 650884875 /nfs/dbraw/zinc/88/48/75/650884875.db2.gz KPGNNLQTSLUEOG-WMLDXEAASA-N 2 1 290.407 2.100 20 0 CEADMP COc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877740631 650884879 /nfs/dbraw/zinc/88/48/79/650884879.db2.gz KPGNNLQTSLUEOG-WMLDXEAASA-N 2 1 290.407 2.100 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000877742730 650887737 /nfs/dbraw/zinc/88/77/37/650887737.db2.gz GEGJXEMPMIXMEV-AEFFLSMTSA-N 2 1 296.418 2.398 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000877742730 650887740 /nfs/dbraw/zinc/88/77/40/650887740.db2.gz GEGJXEMPMIXMEV-AEFFLSMTSA-N 2 1 296.418 2.398 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000877742730 650887743 /nfs/dbraw/zinc/88/77/43/650887743.db2.gz GEGJXEMPMIXMEV-AEFFLSMTSA-N 2 1 296.418 2.398 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000877742730 650887745 /nfs/dbraw/zinc/88/77/45/650887745.db2.gz GEGJXEMPMIXMEV-AEFFLSMTSA-N 2 1 296.418 2.398 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877743714 650888906 /nfs/dbraw/zinc/88/89/06/650888906.db2.gz LXMSHRXBJBFOQH-GOEBONIOSA-N 2 1 260.381 2.221 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000877743714 650888908 /nfs/dbraw/zinc/88/89/08/650888908.db2.gz LXMSHRXBJBFOQH-GOEBONIOSA-N 2 1 260.381 2.221 20 0 CEADMP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000877743714 650888913 /nfs/dbraw/zinc/88/89/13/650888913.db2.gz LXMSHRXBJBFOQH-GOEBONIOSA-N 2 1 260.381 2.221 20 0 CEADMP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877743714 650888915 /nfs/dbraw/zinc/88/89/15/650888915.db2.gz LXMSHRXBJBFOQH-GOEBONIOSA-N 2 1 260.381 2.221 20 0 CEADMP CC(C)C[N@H+](Cc1cncn1C)CC1CC[NH+](C)CC1 ZINC000877767476 650903236 /nfs/dbraw/zinc/90/32/36/650903236.db2.gz KOCWNBOMAHMWPN-UHFFFAOYSA-N 2 1 278.444 2.220 20 0 CEADMP CCC[NH+]1CCC([N@H+](C)Cc2ccnc(N(C)C)c2)CC1 ZINC000754049966 644316805 /nfs/dbraw/zinc/31/68/05/644316805.db2.gz LUJKCSINUUSHPY-UHFFFAOYSA-N 2 1 290.455 2.454 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccnc(N(C)C)c2)CC1 ZINC000754049966 644316812 /nfs/dbraw/zinc/31/68/12/644316812.db2.gz LUJKCSINUUSHPY-UHFFFAOYSA-N 2 1 290.455 2.454 20 0 CEADMP OCc1cc(NCC[N@@H+]2CCc3sccc3C2)cc[nH+]1 ZINC000858359326 645131353 /nfs/dbraw/zinc/13/13/53/645131353.db2.gz DYDQEIWMRIYFIQ-UHFFFAOYSA-N 2 1 289.404 2.106 20 0 CEADMP OCc1cc(NCC[N@H+]2CCc3sccc3C2)cc[nH+]1 ZINC000858359326 645131357 /nfs/dbraw/zinc/13/13/57/645131357.db2.gz DYDQEIWMRIYFIQ-UHFFFAOYSA-N 2 1 289.404 2.106 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858360411 645132503 /nfs/dbraw/zinc/13/25/03/645132503.db2.gz YLDCBOHEMKCVOX-UHFFFAOYSA-N 2 1 277.412 2.131 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc[nH+]c(CO)c1 ZINC000858362686 645133235 /nfs/dbraw/zinc/13/32/35/645133235.db2.gz WUUTZBRQFFFNRF-MJBXVCDLSA-N 2 1 277.412 2.352 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)Nc1cc[nH+]c(CO)c1 ZINC000858550425 645197950 /nfs/dbraw/zinc/19/79/50/645197950.db2.gz NJIHMIPVQKRKOA-GFCCVEGCSA-N 2 1 251.374 2.106 20 0 CEADMP C(C[NH+]1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000760875860 645206521 /nfs/dbraw/zinc/20/65/21/645206521.db2.gz OUMQVAROFKYGLI-DOTOQJQBSA-N 2 1 277.456 2.031 20 0 CEADMP COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212219 645421860 /nfs/dbraw/zinc/42/18/60/645421860.db2.gz KPIXYGRAARQYSF-MRXNPFEDSA-N 2 1 290.407 2.132 20 0 CEADMP COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212219 645421863 /nfs/dbraw/zinc/42/18/63/645421863.db2.gz KPIXYGRAARQYSF-MRXNPFEDSA-N 2 1 290.407 2.132 20 0 CEADMP Cn1nc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1Cl ZINC000859291033 645447938 /nfs/dbraw/zinc/44/79/38/645447938.db2.gz DTNQPMDSENRKBW-UHFFFAOYSA-N 2 1 296.846 2.381 20 0 CEADMP Cn1nc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1Cl ZINC000859291033 645447940 /nfs/dbraw/zinc/44/79/40/645447940.db2.gz DTNQPMDSENRKBW-UHFFFAOYSA-N 2 1 296.846 2.381 20 0 CEADMP C[C@@H](C[N@H+](C)CC[C@H]1CCC[NH+]1C)NC(=O)OC(C)(C)C ZINC000860095563 645699166 /nfs/dbraw/zinc/69/91/66/645699166.db2.gz GENYZFKLAUXOCH-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H](C[N@@H+](C)CC[C@H]1CCC[NH+]1C)NC(=O)OC(C)(C)C ZINC000860095563 645699168 /nfs/dbraw/zinc/69/91/68/645699168.db2.gz GENYZFKLAUXOCH-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H](C[NH+](C)CC[C@H]1CCC[N@@H+]1C)NC(=O)OC(C)(C)C ZINC000860095563 645699171 /nfs/dbraw/zinc/69/91/71/645699171.db2.gz GENYZFKLAUXOCH-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H](C[NH+](C)CC[C@H]1CCC[N@H+]1C)NC(=O)OC(C)(C)C ZINC000860095563 645699183 /nfs/dbraw/zinc/69/91/83/645699183.db2.gz GENYZFKLAUXOCH-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000878235469 651042171 /nfs/dbraw/zinc/04/21/71/651042171.db2.gz HFYDBDKCAPDUNZ-CWRNSKLLSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CC[C@@H](C(F)(F)F)C1 ZINC000767585139 646009929 /nfs/dbraw/zinc/00/99/29/646009929.db2.gz DFCKHTUVGNRXGX-MNOVXSKESA-N 2 1 250.308 2.355 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](C(F)(F)F)C1 ZINC000767585139 646009934 /nfs/dbraw/zinc/00/99/34/646009934.db2.gz DFCKHTUVGNRXGX-MNOVXSKESA-N 2 1 250.308 2.355 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](C(F)(F)F)C1 ZINC000767585139 646009939 /nfs/dbraw/zinc/00/99/39/646009939.db2.gz DFCKHTUVGNRXGX-MNOVXSKESA-N 2 1 250.308 2.355 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000767585139 646009941 /nfs/dbraw/zinc/00/99/41/646009941.db2.gz DFCKHTUVGNRXGX-MNOVXSKESA-N 2 1 250.308 2.355 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000767585139 646009946 /nfs/dbraw/zinc/00/99/46/646009946.db2.gz DFCKHTUVGNRXGX-MNOVXSKESA-N 2 1 250.308 2.355 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000768595337 646141964 /nfs/dbraw/zinc/14/19/64/646141964.db2.gz OVPYYUXFQDPHRO-SJORKVTESA-N 2 1 281.488 2.430 20 0 CEADMP Cc1c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccnc1F ZINC000862268297 646387108 /nfs/dbraw/zinc/38/71/08/646387108.db2.gz DCGZOCXEPSZUJG-GFCCVEGCSA-N 2 1 263.360 2.103 20 0 CEADMP Cc1c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccnc1F ZINC000862481954 646474351 /nfs/dbraw/zinc/47/43/51/646474351.db2.gz BSHDKRHRWLZBNA-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP Cc1c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)ccnc1F ZINC000862481954 646474355 /nfs/dbraw/zinc/47/43/55/646474355.db2.gz BSHDKRHRWLZBNA-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccc(F)cc2F)CC[N@H+]1C ZINC000772986197 646692903 /nfs/dbraw/zinc/69/29/03/646692903.db2.gz BMSJUDDXAUZVCC-FFSVYQOJSA-N 2 1 298.377 2.245 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCC[C@H]1C ZINC000774124792 646806917 /nfs/dbraw/zinc/80/69/17/646806917.db2.gz XSFUTMSNJYPQPI-OZSLIKBDSA-N 2 1 279.472 2.464 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+]1CCCC[C@H]1C ZINC000774124792 646806921 /nfs/dbraw/zinc/80/69/21/646806921.db2.gz XSFUTMSNJYPQPI-OZSLIKBDSA-N 2 1 279.472 2.464 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+]1CCCC[C@H]1C ZINC000774124792 646806930 /nfs/dbraw/zinc/80/69/30/646806930.db2.gz XSFUTMSNJYPQPI-OZSLIKBDSA-N 2 1 279.472 2.464 20 0 CEADMP C[N@H+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000774160781 646812103 /nfs/dbraw/zinc/81/21/03/646812103.db2.gz BAVHQORUYXVMHY-MKXGPGLRSA-N 2 1 299.462 2.476 20 0 CEADMP C[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000774160781 646812106 /nfs/dbraw/zinc/81/21/06/646812106.db2.gz BAVHQORUYXVMHY-MKXGPGLRSA-N 2 1 299.462 2.476 20 0 CEADMP C[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000774160781 646812110 /nfs/dbraw/zinc/81/21/10/646812110.db2.gz BAVHQORUYXVMHY-MKXGPGLRSA-N 2 1 299.462 2.476 20 0 CEADMP CN1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000774160781 646812114 /nfs/dbraw/zinc/81/21/14/646812114.db2.gz BAVHQORUYXVMHY-MKXGPGLRSA-N 2 1 299.462 2.476 20 0 CEADMP CN1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000774160781 646812117 /nfs/dbraw/zinc/81/21/17/646812117.db2.gz BAVHQORUYXVMHY-MKXGPGLRSA-N 2 1 299.462 2.476 20 0 CEADMP Cc1cc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(C)o1 ZINC000119884558 646929338 /nfs/dbraw/zinc/92/93/38/646929338.db2.gz YZHZHCOEMXTIDC-UHFFFAOYSA-N 2 1 293.455 2.260 20 0 CEADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000864450677 647006823 /nfs/dbraw/zinc/00/68/23/647006823.db2.gz BJYBFAGUSOWHSJ-XGUBFFRZSA-N 2 1 280.460 2.267 20 0 CEADMP COC(C)(C)CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000865754117 647452782 /nfs/dbraw/zinc/45/27/82/647452782.db2.gz FONXZFKPZGDYKX-UHFFFAOYSA-N 2 1 251.374 2.052 20 0 CEADMP C[C@H](C1CC1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000782180427 647596229 /nfs/dbraw/zinc/59/62/29/647596229.db2.gz FHBUZPPBABWOTC-OWCLPIDISA-N 2 1 279.472 2.275 20 0 CEADMP COC1CCC([N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC000782182894 647597033 /nfs/dbraw/zinc/59/70/33/647597033.db2.gz GMRUTOSNIPVDAI-UHFFFAOYSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000866248324 647693805 /nfs/dbraw/zinc/69/38/05/647693805.db2.gz MWTBQAVXVIDQQW-JONQDZQNSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000783242994 647699675 /nfs/dbraw/zinc/69/96/75/647699675.db2.gz IUQNJBUJNULQCQ-NRSFXHEJSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000783242994 647699677 /nfs/dbraw/zinc/69/96/77/647699677.db2.gz IUQNJBUJNULQCQ-NRSFXHEJSA-N 2 1 288.435 2.258 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C)CC1 ZINC000783243964 647700441 /nfs/dbraw/zinc/70/04/41/647700441.db2.gz QCHVRSRFGUDRLL-DZGCQCFKSA-N 2 1 254.418 2.264 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CCOCC1 ZINC000866267038 647706031 /nfs/dbraw/zinc/70/60/31/647706031.db2.gz YSEAQZIHGHNRLT-CVEARBPZSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000866341128 647744215 /nfs/dbraw/zinc/74/42/15/647744215.db2.gz VTPJIRMVFULXCZ-CSMYWGQOSA-N 2 1 292.398 2.105 20 0 CEADMP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000866341128 647744220 /nfs/dbraw/zinc/74/42/20/647744220.db2.gz VTPJIRMVFULXCZ-CSMYWGQOSA-N 2 1 292.398 2.105 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CC2(C)OCCO2)[C@@H](C)C1 ZINC000866424691 647783272 /nfs/dbraw/zinc/78/32/72/647783272.db2.gz NIEMXQQDJCHOKX-KKUMJFAQSA-N 2 1 284.444 2.096 20 0 CEADMP Cc1cc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)nc(N)[nH+]1 ZINC000784334889 647837735 /nfs/dbraw/zinc/83/77/35/647837735.db2.gz JFHGEPGPZUBFGF-DZGCQCFKSA-N 2 1 283.379 2.225 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](O)C2CCCC2)[C@@H](C)C1 ZINC000866636305 647850438 /nfs/dbraw/zinc/85/04/38/647850438.db2.gz JGCCPNNQEFARFU-CWRNSKLLSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H](O)C2CCCC2)[C@@H]2CCC[C@H]21 ZINC000866638392 647851633 /nfs/dbraw/zinc/85/16/33/647851633.db2.gz HJBZGHXTKNEQSK-NXOAAHMSSA-N 2 1 280.456 2.390 20 0 CEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866697102 647872719 /nfs/dbraw/zinc/87/27/19/647872719.db2.gz FTUPLSWTTVZHHU-UKRRQHHQSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)OCCC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708223 647878323 /nfs/dbraw/zinc/87/83/23/647878323.db2.gz YKSYGZAOXCISJY-OAHLLOKOSA-N 2 1 256.434 2.498 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000866709985 647879108 /nfs/dbraw/zinc/87/91/08/647879108.db2.gz VJRFAHBKIQNDSC-YPMHNXCESA-N 2 1 276.371 2.108 20 0 CEADMP Fc1cccc(OCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000866715540 647880049 /nfs/dbraw/zinc/88/00/49/647880049.db2.gz CRIZEMVQVHBHPG-BBRMVZONSA-N 2 1 278.371 2.278 20 0 CEADMP Fc1cccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000866715540 647880052 /nfs/dbraw/zinc/88/00/52/647880052.db2.gz CRIZEMVQVHBHPG-BBRMVZONSA-N 2 1 278.371 2.278 20 0 CEADMP CC(C)C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC1CC[NH+](C)CC1 ZINC000866717529 647880126 /nfs/dbraw/zinc/88/01/26/647880126.db2.gz HLLHESPQJVMSLB-INIZCTEOSA-N 3 1 281.488 2.286 20 0 CEADMP Cc1nc(C2([NH2+]CC3CC[NH+](C)CC3)CCCC2)no1 ZINC000788492243 648194550 /nfs/dbraw/zinc/19/45/50/648194550.db2.gz BYKQJTNHLVDWQY-UHFFFAOYSA-N 2 1 278.400 2.079 20 0 CEADMP [NH3+][C@H]1CC[C@H](C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000870955584 648960900 /nfs/dbraw/zinc/96/09/00/648960900.db2.gz WSUIREFBDGNRSX-KKUMJFAQSA-N 2 1 293.455 2.027 20 0 CEADMP [NH3+][C@H]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000870955587 648961010 /nfs/dbraw/zinc/96/10/10/648961010.db2.gz WSUIREFBDGNRSX-ZNMIVQPWSA-N 2 1 293.455 2.027 20 0 CEADMP COCCCCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871786286 649185397 /nfs/dbraw/zinc/18/53/97/649185397.db2.gz XBEUWJYLEUMGCV-AGUYFDCRSA-N 2 1 283.416 2.174 20 0 CEADMP COCCCCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871786286 649185399 /nfs/dbraw/zinc/18/53/99/649185399.db2.gz XBEUWJYLEUMGCV-AGUYFDCRSA-N 2 1 283.416 2.174 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(O)ccc1F ZINC000872053457 649255880 /nfs/dbraw/zinc/25/58/80/649255880.db2.gz KOSZPFHTJCRGEA-NSHDSACASA-N 2 1 264.344 2.444 20 0 CEADMP O=c1[nH]c2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2o1 ZINC000872123244 649284179 /nfs/dbraw/zinc/28/41/79/649284179.db2.gz NPYHZDQWBLDUKV-OLZOCXBDSA-N 2 1 287.363 2.250 20 0 CEADMP O=c1[nH]c2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc2o1 ZINC000872123244 649284182 /nfs/dbraw/zinc/28/41/82/649284182.db2.gz NPYHZDQWBLDUKV-OLZOCXBDSA-N 2 1 287.363 2.250 20 0 CEADMP CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000872128424 649287223 /nfs/dbraw/zinc/28/72/23/649287223.db2.gz PYUGDEBXHSVPTK-KBUPBQIOSA-N 2 1 294.439 2.323 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141517 649290466 /nfs/dbraw/zinc/29/04/66/649290466.db2.gz KIJZGIHXMLOHHS-MELADBBJSA-N 2 1 252.402 2.005 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1C ZINC000872141910 649291385 /nfs/dbraw/zinc/29/13/85/649291385.db2.gz ZGNNSEOLJDTBOV-ZFWWWQNUSA-N 2 1 290.407 2.341 20 0 CEADMP C([C@H]1CC2(CCC2)CO1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000872143579 649293277 /nfs/dbraw/zinc/29/32/77/649293277.db2.gz SZCJIDSCNURJMI-HRCADAONSA-N 2 1 278.440 2.267 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)C1CCCCC1 ZINC000872144090 649294114 /nfs/dbraw/zinc/29/41/14/649294114.db2.gz BXJXMECVXBNXTA-LSDHHAIUSA-N 2 1 266.429 2.443 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1CC2(CCC2)CO1 ZINC000872144864 649294811 /nfs/dbraw/zinc/29/48/11/649294811.db2.gz KQSLCVSBYPGTNB-BBBYJDLNSA-N 2 1 264.413 2.149 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(C(C)=O)CC2)cc1 ZINC000872146305 649296850 /nfs/dbraw/zinc/29/68/50/649296850.db2.gz KUMFPUUSRQFPSG-INIZCTEOSA-N 2 1 290.407 2.039 20 0 CEADMP COc1cccc(CCC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872153275 649297761 /nfs/dbraw/zinc/29/77/61/649297761.db2.gz GLVOLTZNWPRSBF-DOTOQJQBSA-N 2 1 274.408 2.169 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc2c1OCCO2 ZINC000872155063 649298576 /nfs/dbraw/zinc/29/85/76/649298576.db2.gz BGKUPNPIAYKLPZ-UHFFFAOYSA-N 2 1 278.396 2.409 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CC(=O)Nc1ccc(F)cc1F ZINC000872155022 649298767 /nfs/dbraw/zinc/29/87/67/649298767.db2.gz JXUGDJKSYBKFPM-UHFFFAOYSA-N 2 1 299.365 2.354 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(-n2ccnc2)nc1 ZINC000872155736 649299640 /nfs/dbraw/zinc/29/96/40/649299640.db2.gz VJOBZXLBSRXZKD-UHFFFAOYSA-N 2 1 287.411 2.218 20 0 CEADMP COC(=O)c1cc(C[N@@H+](C)CCCCCC[NH3+])cs1 ZINC000872155353 649299839 /nfs/dbraw/zinc/29/98/39/649299839.db2.gz KMFVICJASKLSTO-UHFFFAOYSA-N 2 1 284.425 2.486 20 0 CEADMP COCC1([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CCC1 ZINC000872158177 649300378 /nfs/dbraw/zinc/30/03/78/649300378.db2.gz YXBXRFBFZUXHDZ-UHFFFAOYSA-N 2 1 274.408 2.333 20 0 CEADMP Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872252083 649328859 /nfs/dbraw/zinc/32/88/59/649328859.db2.gz ORJJZOQOXNSOEL-LLVKDONJSA-N 2 1 284.835 2.250 20 0 CEADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CN1C[C@@H](C)CC1=O ZINC000872744150 649474440 /nfs/dbraw/zinc/47/44/40/649474440.db2.gz PRKILQZLZGTQBH-HNNXBMFYSA-N 2 1 295.471 2.112 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000873133442 649565643 /nfs/dbraw/zinc/56/56/43/649565643.db2.gz HXGUDPAVOTWQGM-CABCVRRESA-N 2 1 298.471 2.017 20 0 CEADMP CN(Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000873204556 649588182 /nfs/dbraw/zinc/58/81/82/649588182.db2.gz GUNQJNWVFAQGEC-AWEZNQCLSA-N 2 1 291.464 2.062 20 0 CEADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CCN(C2CC2)C1 ZINC000873204556 649588183 /nfs/dbraw/zinc/58/81/83/649588183.db2.gz GUNQJNWVFAQGEC-AWEZNQCLSA-N 2 1 291.464 2.062 20 0 CEADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CCN(C2CC2)C1 ZINC000873204556 649588185 /nfs/dbraw/zinc/58/81/85/649588185.db2.gz GUNQJNWVFAQGEC-AWEZNQCLSA-N 2 1 291.464 2.062 20 0 CEADMP c1c(C[N@@H+]2CCOC[C@@H]2C2CC2)sc2c1C[NH2+]CC2 ZINC000873207271 649588784 /nfs/dbraw/zinc/58/87/84/649588784.db2.gz MPVYPQNNWUXCLR-CQSZACIVSA-N 2 1 278.421 2.005 20 0 CEADMP c1c(C[N@H+]2CCOC[C@@H]2C2CC2)sc2c1C[NH2+]CC2 ZINC000873207271 649588787 /nfs/dbraw/zinc/58/87/87/649588787.db2.gz MPVYPQNNWUXCLR-CQSZACIVSA-N 2 1 278.421 2.005 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC1=Cc3ccccc3OC1)C2 ZINC000873229006 649600325 /nfs/dbraw/zinc/60/03/25/649600325.db2.gz NEQHJCNWIYSSAT-DOTOQJQBSA-N 2 1 270.376 2.004 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC1=Cc3ccccc3OC1)C2 ZINC000873229006 649600327 /nfs/dbraw/zinc/60/03/27/649600327.db2.gz NEQHJCNWIYSSAT-DOTOQJQBSA-N 2 1 270.376 2.004 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)n1 ZINC000873237496 649604933 /nfs/dbraw/zinc/60/49/33/649604933.db2.gz PZZPTYGNARMMAK-UKRRQHHQSA-N 2 1 291.439 2.389 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)[C@@H]1CCCOC1 ZINC000873238277 649605311 /nfs/dbraw/zinc/60/53/11/649605311.db2.gz YXRCZVPVGSYZNI-BFHYXJOUSA-N 2 1 254.418 2.169 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000873281956 649624294 /nfs/dbraw/zinc/62/42/94/649624294.db2.gz DDHJBNWZFIIEDW-GHMZBOCLSA-N 2 1 276.409 2.421 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1c[nH+]ccc1N ZINC000873282190 649624918 /nfs/dbraw/zinc/62/49/18/649624918.db2.gz RKUNJPPHAONQFI-OZTPJHRESA-N 2 1 261.369 2.102 20 0 CEADMP c1ccc2c(c1)CN[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000873296533 649631906 /nfs/dbraw/zinc/63/19/06/649631906.db2.gz HVNUIEIQWFVHKW-WJFTUGDTSA-N 2 1 299.462 2.211 20 0 CEADMP Clc1cccc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000020073060 649722319 /nfs/dbraw/zinc/72/23/19/649722319.db2.gz QHEDOBYDARZEDS-AWEZNQCLSA-N 2 1 293.842 2.462 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc[nH]c(=O)c3)C2)CC1 ZINC000878549976 651127711 /nfs/dbraw/zinc/12/77/11/651127711.db2.gz SUTHXELSJIDJKY-UHFFFAOYSA-N 2 1 275.396 2.095 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)c3ccccc3F)C2)CC1 ZINC000878865166 651200253 /nfs/dbraw/zinc/20/02/53/651200253.db2.gz UCJWFWLOTTZJNQ-INIZCTEOSA-N 2 1 292.398 2.277 20 0 CEADMP CO[C@H]1CC[C@H](C)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000879327598 651287372 /nfs/dbraw/zinc/28/73/72/651287372.db2.gz WYEWEIRJMOFBHS-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(CCC(=O)C(C)(C)C)CC[C@H]21 ZINC000879580764 651326755 /nfs/dbraw/zinc/32/67/55/651326755.db2.gz KICVKZCNHDVSFN-CHWSQXEVSA-N 2 1 252.402 2.018 20 0 CEADMP CN1CC[C@@H]2C[N@H+](CCC(=O)C(C)(C)C)CC[C@H]21 ZINC000879580764 651326757 /nfs/dbraw/zinc/32/67/57/651326757.db2.gz KICVKZCNHDVSFN-CHWSQXEVSA-N 2 1 252.402 2.018 20 0 CEADMP CN1CC[C@@H]2C[N@@H+](CCC(=O)C(C)(C)C)CC[C@H]21 ZINC000879580764 651326759 /nfs/dbraw/zinc/32/67/59/651326759.db2.gz KICVKZCNHDVSFN-CHWSQXEVSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)C[N@@H+](CCc1cn[nH]c1)CC1CC[NH+](C)CC1 ZINC000879703283 651341465 /nfs/dbraw/zinc/34/14/65/651341465.db2.gz GXTANGRMNFEPJJ-UHFFFAOYSA-N 2 1 278.444 2.252 20 0 CEADMP CC[C@@H](C)NC(=O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702585 651341487 /nfs/dbraw/zinc/34/14/87/651341487.db2.gz QXGVBZIYTXYWPF-OAHLLOKOSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)C[N@@H+](CCC[C@H](C)O)CC1CC[NH+](C)CC1 ZINC000879703420 651341527 /nfs/dbraw/zinc/34/15/27/651341527.db2.gz LZBUQRNFXMXZFV-HNNXBMFYSA-N 2 1 270.461 2.447 20 0 CEADMP COCC[N@@H+]1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000880020984 651375981 /nfs/dbraw/zinc/37/59/81/651375981.db2.gz VNYBTMHLVMAZDH-SJORKVTESA-N 2 1 274.408 2.087 20 0 CEADMP COCC[N@H+]1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000880020984 651375982 /nfs/dbraw/zinc/37/59/82/651375982.db2.gz VNYBTMHLVMAZDH-SJORKVTESA-N 2 1 274.408 2.087 20 0 CEADMP COCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020984 651375983 /nfs/dbraw/zinc/37/59/83/651375983.db2.gz VNYBTMHLVMAZDH-SJORKVTESA-N 2 1 274.408 2.087 20 0 CEADMP COCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020984 651375984 /nfs/dbraw/zinc/37/59/84/651375984.db2.gz VNYBTMHLVMAZDH-SJORKVTESA-N 2 1 274.408 2.087 20 0 CEADMP COCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020984 651375985 /nfs/dbraw/zinc/37/59/85/651375985.db2.gz VNYBTMHLVMAZDH-SJORKVTESA-N 2 1 274.408 2.087 20 0 CEADMP COCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020984 651375986 /nfs/dbraw/zinc/37/59/86/651375986.db2.gz VNYBTMHLVMAZDH-SJORKVTESA-N 2 1 274.408 2.087 20 0 CEADMP Cc1oncc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258891 651411317 /nfs/dbraw/zinc/41/13/17/651411317.db2.gz DQCRZLUXYPONHG-GFCCVEGCSA-N 2 1 272.352 2.089 20 0 CEADMP Cc1oncc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258891 651411318 /nfs/dbraw/zinc/41/13/18/651411318.db2.gz DQCRZLUXYPONHG-GFCCVEGCSA-N 2 1 272.352 2.089 20 0 CEADMP CCc1nocc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259528 651411510 /nfs/dbraw/zinc/41/15/10/651411510.db2.gz VMGODUKJJLWYMT-CYBMUJFWSA-N 2 1 286.379 2.343 20 0 CEADMP CCc1nocc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259528 651411511 /nfs/dbraw/zinc/41/15/11/651411511.db2.gz VMGODUKJJLWYMT-CYBMUJFWSA-N 2 1 286.379 2.343 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260084 651412025 /nfs/dbraw/zinc/41/20/25/651412025.db2.gz NCXXBGODTXDROM-DOTOQJQBSA-N 2 1 291.439 2.389 20 0 CEADMP CC(C)COCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260195 651412318 /nfs/dbraw/zinc/41/23/18/651412318.db2.gz NUUZEHVUBYVGRY-OAHLLOKOSA-N 2 1 277.412 2.265 20 0 CEADMP CCCCOCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260707 651412346 /nfs/dbraw/zinc/41/23/46/651412346.db2.gz FAWDTCINGGMLDD-HNNXBMFYSA-N 2 1 277.412 2.409 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880261556 651412548 /nfs/dbraw/zinc/41/25/48/651412548.db2.gz WLCDSWAMLKXZRM-MAUKXSAKSA-N 2 1 297.402 2.326 20 0 CEADMP C[C@H](c1cnccn1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261881 651412573 /nfs/dbraw/zinc/41/25/73/651412573.db2.gz ZMBQXGMLMMMIOI-UONOGXRCSA-N 2 1 283.379 2.143 20 0 CEADMP C[C@H](c1cnccn1)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261881 651412575 /nfs/dbraw/zinc/41/25/75/651412575.db2.gz ZMBQXGMLMMMIOI-UONOGXRCSA-N 2 1 283.379 2.143 20 0 CEADMP C[C@@H](c1cnccn1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261880 651412727 /nfs/dbraw/zinc/41/27/27/651412727.db2.gz ZMBQXGMLMMMIOI-KGLIPLIRSA-N 2 1 283.379 2.143 20 0 CEADMP C[C@@H](c1cnccn1)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261880 651412728 /nfs/dbraw/zinc/41/27/28/651412728.db2.gz ZMBQXGMLMMMIOI-KGLIPLIRSA-N 2 1 283.379 2.143 20 0 CEADMP COC(=O)C(C)(C)C[N@@H+](CCn1ccnc1)CC(C)C ZINC000880382539 651433836 /nfs/dbraw/zinc/43/38/36/651433836.db2.gz GAMVFIKLCYEWCS-UHFFFAOYSA-N 2 1 281.400 2.040 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH+]2CCC(C)([NH+]3CCC3)CC2)O1 ZINC000880473642 651447201 /nfs/dbraw/zinc/44/72/01/651447201.db2.gz LATMKSZGXWYGLW-KGLIPLIRSA-N 2 1 252.402 2.114 20 0 CEADMP OC[C@H]1C=CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000880492359 651450145 /nfs/dbraw/zinc/45/01/45/651450145.db2.gz QNEORVHQVNGUBH-GOSISDBHSA-N 2 1 286.419 2.405 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880506179 651452085 /nfs/dbraw/zinc/45/20/85/651452085.db2.gz QFQSUBSCUXJIDO-CABCVRRESA-N 2 1 263.385 2.273 20 0 CEADMP C[C@@H](C[NH2+]Cc1ccc2oc(=O)oc2c1)C[NH+]1CCCC1 ZINC000882903573 652262488 /nfs/dbraw/zinc/26/24/88/652262488.db2.gz FQPSKPARVFIJNR-LBPRGKRZSA-N 2 1 290.363 2.208 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000882904648 652263409 /nfs/dbraw/zinc/26/34/09/652263409.db2.gz GMSGDSWVCQQMDI-UHFFFAOYSA-N 2 1 261.373 2.218 20 0 CEADMP COC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@@H]1CCCOC1 ZINC000883220510 652403949 /nfs/dbraw/zinc/40/39/49/652403949.db2.gz KOJFIKJCNNOJSW-VXLLPVPCSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CCOCC3)CO2)CC[N@H+]1C ZINC000883262802 652418242 /nfs/dbraw/zinc/41/82/42/652418242.db2.gz UVTDFWMMUSOEOL-PMPSAXMXSA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H]1CCCOC1 ZINC000883353328 652438656 /nfs/dbraw/zinc/43/86/56/652438656.db2.gz SHWJJNHZRAKPMD-JSGCOSHPSA-N 2 1 297.468 2.500 20 0 CEADMP F[C@@H]1C[NH2+][C@H](CN2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000883423193 652464773 /nfs/dbraw/zinc/46/47/73/652464773.db2.gz FZCZCQAXZFHSBQ-IRXDYDNUSA-N 2 1 297.462 2.274 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)C1CCCCC1 ZINC000883429683 652467307 /nfs/dbraw/zinc/46/73/07/652467307.db2.gz BNFZWARQLVZYIT-JKSUJKDBSA-N 2 1 296.455 2.212 20 0 CEADMP Cn1c[nH+]cc1CCN1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000883439139 652470990 /nfs/dbraw/zinc/47/09/90/652470990.db2.gz JWJQSHBXJYYBKO-HNNXBMFYSA-N 2 1 270.380 2.261 20 0 CEADMP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)nc1Cl ZINC000883440876 652471533 /nfs/dbraw/zinc/47/15/33/652471533.db2.gz BSXDCGYUUSLNPM-MNOVXSKESA-N 2 1 253.777 2.259 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC[C@H]1CCCC1(F)F)C2 ZINC000883440963 652471239 /nfs/dbraw/zinc/47/12/39/652471239.db2.gz DUHHRPCCFIXSRF-FRRDWIJNSA-N 2 1 258.356 2.353 20 0 CEADMP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)nc1Cl ZINC000883440878 652471621 /nfs/dbraw/zinc/47/16/21/652471621.db2.gz BSXDCGYUUSLNPM-WDEREUQCSA-N 2 1 253.777 2.259 20 0 CEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000883462150 652478077 /nfs/dbraw/zinc/47/80/77/652478077.db2.gz KWSWAOWERDIWBU-GOEBONIOSA-N 2 1 266.429 2.125 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000884179781 652743896 /nfs/dbraw/zinc/74/38/96/652743896.db2.gz ANTUHRQALTYUNS-CABCVRRESA-N 2 1 297.487 2.377 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])C(C)C)C1 ZINC000884219522 652756010 /nfs/dbraw/zinc/75/60/10/652756010.db2.gz RAKBJHVTSOFPQA-LSDHHAIUSA-N 2 1 297.487 2.090 20 0 CEADMP CCCCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000135361959 652967194 /nfs/dbraw/zinc/96/71/94/652967194.db2.gz DPJVOCUDUGLJFA-CVEARBPZSA-N 2 1 295.471 2.147 20 0 CEADMP CCN1CC[NH+](CCCC[NH2+]Cc2cc(C)co2)CC1 ZINC000885923354 653069617 /nfs/dbraw/zinc/06/96/17/653069617.db2.gz XZHIJUJNUWNWKK-UHFFFAOYSA-N 2 1 279.428 2.095 20 0 CEADMP C[C@@]1(O)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167996062 805603664 /nfs/dbraw/zinc/60/36/64/805603664.db2.gz VZLIVQLSLYHCFG-FCLJQHQZSA-N 2 1 278.440 2.239 20 0 CEADMP C[C@@]1(O)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167996062 805603669 /nfs/dbraw/zinc/60/36/69/805603669.db2.gz VZLIVQLSLYHCFG-FCLJQHQZSA-N 2 1 278.440 2.239 20 0 CEADMP C[C@@]1(O)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167996062 805603672 /nfs/dbraw/zinc/60/36/72/805603672.db2.gz VZLIVQLSLYHCFG-FCLJQHQZSA-N 2 1 278.440 2.239 20 0 CEADMP C[C@H](C[NH2+]CCCC1CCC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001270920792 805688472 /nfs/dbraw/zinc/68/84/72/805688472.db2.gz ATUSJBDMQVFMHW-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H]1CC ZINC001087726069 805780902 /nfs/dbraw/zinc/78/09/02/805780902.db2.gz PVBCDFHOTWEJPN-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1CC ZINC001087726069 805780904 /nfs/dbraw/zinc/78/09/04/805780904.db2.gz PVBCDFHOTWEJPN-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1CC ZINC001087726069 805780909 /nfs/dbraw/zinc/78/09/09/805780909.db2.gz PVBCDFHOTWEJPN-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC[N@H+]1CC ZINC001087749468 805785915 /nfs/dbraw/zinc/78/59/15/805785915.db2.gz MUKQJHFFOLKSFQ-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087796733 805797746 /nfs/dbraw/zinc/79/77/46/805797746.db2.gz LKFAXFFKALDVDJ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087796733 805797749 /nfs/dbraw/zinc/79/77/49/805797749.db2.gz LKFAXFFKALDVDJ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087796733 805797754 /nfs/dbraw/zinc/79/77/54/805797754.db2.gz LKFAXFFKALDVDJ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001271342388 805916716 /nfs/dbraw/zinc/91/67/16/805916716.db2.gz XPUMWVINRXDUSF-JKSUJKDBSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001029755636 806063507 /nfs/dbraw/zinc/06/35/07/806063507.db2.gz NKJGYKATQFKTLD-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001029755636 806063518 /nfs/dbraw/zinc/06/35/18/806063518.db2.gz NKJGYKATQFKTLD-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001029755636 806063526 /nfs/dbraw/zinc/06/35/26/806063526.db2.gz NKJGYKATQFKTLD-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339065571 806145330 /nfs/dbraw/zinc/14/53/30/806145330.db2.gz AKQMOGJZCVRDRL-CAOSSQGBSA-N 3 1 265.445 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339065571 806145337 /nfs/dbraw/zinc/14/53/37/806145337.db2.gz AKQMOGJZCVRDRL-CAOSSQGBSA-N 3 1 265.445 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339065571 806145342 /nfs/dbraw/zinc/14/53/42/806145342.db2.gz AKQMOGJZCVRDRL-CAOSSQGBSA-N 3 1 265.445 2.076 20 0 CEADMP CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001088381276 806173447 /nfs/dbraw/zinc/17/34/47/806173447.db2.gz ATNCYBNJFGZULU-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1 ZINC001168117261 806210081 /nfs/dbraw/zinc/21/00/81/806210081.db2.gz NFQDALZVLBTPNX-HUUCEWRRSA-N 2 1 289.423 2.496 20 0 CEADMP C[C@H]1C[C@@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)CCO1 ZINC001168136465 806269154 /nfs/dbraw/zinc/26/91/54/806269154.db2.gz JYIUWRDYCVOFSU-WFASDCNBSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001168303921 806639178 /nfs/dbraw/zinc/63/91/78/806639178.db2.gz GLJSHWXLDNQTOY-VCBJJIANSA-N 3 1 279.472 2.464 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001168303921 806639183 /nfs/dbraw/zinc/63/91/83/806639183.db2.gz GLJSHWXLDNQTOY-VCBJJIANSA-N 3 1 279.472 2.464 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)CCc2cccnc2)CC1 ZINC001168324625 806653397 /nfs/dbraw/zinc/65/33/97/806653397.db2.gz RWSPBWICULKBMX-UHFFFAOYSA-N 2 1 261.413 2.429 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@]23CCOC3)CC1 ZINC001168328203 806658850 /nfs/dbraw/zinc/65/88/50/806658850.db2.gz ZLDITWKSSRZSFS-NRXISQOPSA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H]2c2ncccn2)CC1 ZINC001168329764 806660067 /nfs/dbraw/zinc/66/00/67/806660067.db2.gz HFMRKLBKPNMOMH-YMAMQOFZSA-N 2 1 274.412 2.486 20 0 CEADMP CC(C)[NH+]1CCC(OC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001224703600 806905077 /nfs/dbraw/zinc/90/50/77/806905077.db2.gz UNUNPHWWDHAOMG-AWEZNQCLSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OCCC[NH+]1CCCC1)C2 ZINC001224748098 806932950 /nfs/dbraw/zinc/93/29/50/806932950.db2.gz ISNSONIGHFXWTN-QDMKHBRRSA-N 2 1 252.402 2.114 20 0 CEADMP c1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cc(C2CC2)[nH+]1 ZINC001168373996 806978292 /nfs/dbraw/zinc/97/82/92/806978292.db2.gz IZIFECYMUGLFJV-CQSZACIVSA-N 2 1 273.380 2.234 20 0 CEADMP c1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)cc(C2CC2)[nH+]1 ZINC001168373996 806978296 /nfs/dbraw/zinc/97/82/96/806978296.db2.gz IZIFECYMUGLFJV-CQSZACIVSA-N 2 1 273.380 2.234 20 0 CEADMP CS[C@H](C)CC[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001208147971 802358556 /nfs/dbraw/zinc/35/85/56/802358556.db2.gz KYOHWMYMUIWASA-OAHLLOKOSA-N 2 1 299.528 2.087 20 0 CEADMP C[NH+](C)CC1(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)CCCC1 ZINC001208185654 802378189 /nfs/dbraw/zinc/37/81/89/802378189.db2.gz HIJHCNXAHQEEFN-HUUCEWRRSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](C)CC1(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)CCCC1 ZINC001208188895 802379102 /nfs/dbraw/zinc/37/91/02/802379102.db2.gz OXWIIJDHYMQVPK-LSDHHAIUSA-N 2 1 278.440 2.409 20 0 CEADMP C[NH+](C)CC1(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)CCCC1 ZINC001208188895 802379110 /nfs/dbraw/zinc/37/91/10/802379110.db2.gz OXWIIJDHYMQVPK-LSDHHAIUSA-N 2 1 278.440 2.409 20 0 CEADMP CCCCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001266288163 802382137 /nfs/dbraw/zinc/38/21/37/802382137.db2.gz BBPSPZSAAZONLN-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266288163 802382146 /nfs/dbraw/zinc/38/21/46/802382146.db2.gz BBPSPZSAAZONLN-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266288163 802382151 /nfs/dbraw/zinc/38/21/51/802382151.db2.gz BBPSPZSAAZONLN-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP COCOCCC[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001209028668 802455896 /nfs/dbraw/zinc/45/58/96/802455896.db2.gz AYDYPGZHRYDAAZ-UHFFFAOYSA-N 2 1 272.433 2.049 20 0 CEADMP CCOC(C)(C)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001209074474 802466850 /nfs/dbraw/zinc/46/68/50/802466850.db2.gz BQARBELKJPXUAD-UHFFFAOYSA-N 2 1 293.411 2.027 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000693011112 802528103 /nfs/dbraw/zinc/52/81/03/802528103.db2.gz WAPJJNBRVUJUNX-GOEBONIOSA-N 2 1 262.397 2.042 20 0 CEADMP CC(C)[NH+](CC[NH2+]C1CCC(C)(O)CC1)C(C)C ZINC000703024623 809611547 /nfs/dbraw/zinc/61/15/47/809611547.db2.gz PXNHTPKGUBQLLE-UHFFFAOYSA-N 2 1 256.434 2.388 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001210797021 802737043 /nfs/dbraw/zinc/73/70/43/802737043.db2.gz MQWMKCIGYLDHTA-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP CO[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000386153901 802769339 /nfs/dbraw/zinc/76/93/39/802769339.db2.gz PISSZCXPUYOQPC-SOUVJXGZSA-N 2 1 254.418 2.408 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[C@@H](C(F)(F)F)O3)C[C@@H]21 ZINC000721447512 802792494 /nfs/dbraw/zinc/79/24/94/802792494.db2.gz IHCDESZBDDGMTR-SJHCENCUSA-N 2 1 292.345 2.156 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721451936 802796718 /nfs/dbraw/zinc/79/67/18/802796718.db2.gz YOMXRCCESQMSLP-UTUOFQBUSA-N 2 1 282.350 2.402 20 0 CEADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccncn2)CC1 ZINC001140347887 802847196 /nfs/dbraw/zinc/84/71/96/802847196.db2.gz ZPLPEODKHKRODX-UHFFFAOYSA-N 2 1 262.401 2.029 20 0 CEADMP CC(C)=CC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001266741013 802874579 /nfs/dbraw/zinc/87/45/79/802874579.db2.gz HLHJEGSWEIXQHJ-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000723609385 802903367 /nfs/dbraw/zinc/90/33/67/802903367.db2.gz MMHCENYZMJKSQP-FXUDXRNXSA-N 2 1 266.429 2.123 20 0 CEADMP CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001087166055 802926904 /nfs/dbraw/zinc/92/69/04/802926904.db2.gz XBOAXFLHHLZCFW-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001266854129 802943923 /nfs/dbraw/zinc/94/39/23/802943923.db2.gz BKKVRJAFJFLQOC-INIZCTEOSA-N 2 1 297.487 2.343 20 0 CEADMP CCc1nc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cs1 ZINC000723893549 802965712 /nfs/dbraw/zinc/96/57/12/802965712.db2.gz BAYDXYGOQRBURT-GHMZBOCLSA-N 2 1 253.415 2.122 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C[C@H]1CC[NH3+] ZINC000723893583 802966032 /nfs/dbraw/zinc/96/60/32/802966032.db2.gz BXJVCFFXYXROLE-KFWWJZLASA-N 2 1 266.429 2.395 20 0 CEADMP C[C@@H]1C[N@@H+](CCSC(F)(F)F)C[C@H]1CC[NH3+] ZINC000723908371 802966771 /nfs/dbraw/zinc/96/67/71/802966771.db2.gz HTCKSMDXEIBJEI-RKDXNWHRSA-N 2 1 256.337 2.156 20 0 CEADMP C[C@@H]1CC[C@@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000399194840 802978929 /nfs/dbraw/zinc/97/89/29/802978929.db2.gz RRQQIQFJHAZMOI-NXHRZFHOSA-N 2 1 287.451 2.381 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCOC1 ZINC000724015493 803007451 /nfs/dbraw/zinc/00/74/51/803007451.db2.gz XMQLVGYCCZEGAO-CZUORRHYSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001266973867 803031810 /nfs/dbraw/zinc/03/18/10/803031810.db2.gz APZKZZMGJNWTMO-CVEARBPZSA-N 2 1 295.471 2.310 20 0 CEADMP Cc1cc(C)[nH+]c(NCC[NH+]2CCSCC2)c1 ZINC000707972382 803133782 /nfs/dbraw/zinc/13/37/82/803133782.db2.gz BDQGGGMMUKGICS-UHFFFAOYSA-N 2 1 251.399 2.159 20 0 CEADMP CCc1noc([C@H]2CCC[N@@H+](CC3CC[NH+](C)CC3)C2)n1 ZINC001207398745 803487761 /nfs/dbraw/zinc/48/77/61/803487761.db2.gz MLFLHHHCUPVOQM-AWEZNQCLSA-N 2 1 292.427 2.153 20 0 CEADMP CCCCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001267700847 803664652 /nfs/dbraw/zinc/66/46/52/803664652.db2.gz HZDZVIUHOXIQSN-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)CC[N@H+]1C ZINC000715477649 814958974 /nfs/dbraw/zinc/95/89/74/814958974.db2.gz BLMPQIXDDXWWTP-REBRKWNGSA-N 2 1 252.402 2.016 20 0 CEADMP CCC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001104932994 803725294 /nfs/dbraw/zinc/72/52/94/803725294.db2.gz ZPDQMWAAXUFTNM-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP C[NH+]1CCC(CC[N@H+]2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC001207479423 803732768 /nfs/dbraw/zinc/73/27/68/803732768.db2.gz IOTGZGXSCOEOPH-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C([C@@H]1CC[C@H](C2CC2)O1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715392264 814963600 /nfs/dbraw/zinc/96/36/00/814963600.db2.gz IODCTZBVVFVZAR-FXUDXRNXSA-N 2 1 264.413 2.018 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc2c(n1)C[NH2+]CC2 ZINC001167752450 803838847 /nfs/dbraw/zinc/83/88/47/803838847.db2.gz WCDSJUNNWLSHQD-CQSZACIVSA-N 2 1 288.439 2.404 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715516015 814970578 /nfs/dbraw/zinc/97/05/78/814970578.db2.gz CCFMLYIKQMGMJM-NWANDNLSSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC000709452276 803866545 /nfs/dbraw/zinc/86/65/45/803866545.db2.gz PYBXYGPTUSBRNV-PVAVHDDUSA-N 2 1 274.408 2.418 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CCC(C)C)CC[N@H+]1C ZINC001267986709 803889423 /nfs/dbraw/zinc/88/94/23/803889423.db2.gz OCZDQXOYJMGRIQ-HRCADAONSA-N 2 1 297.487 2.105 20 0 CEADMP C(C[C@@H]1CCCS1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000715641857 814984511 /nfs/dbraw/zinc/98/45/11/814984511.db2.gz GUAUDMDIZPYPNW-RDBSUJKOSA-N 2 1 254.443 2.489 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027449078 804077312 /nfs/dbraw/zinc/07/73/12/804077312.db2.gz QRPDBCODGUDVTC-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027449078 804077322 /nfs/dbraw/zinc/07/73/22/804077322.db2.gz QRPDBCODGUDVTC-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027449078 804077331 /nfs/dbraw/zinc/07/73/31/804077331.db2.gz QRPDBCODGUDVTC-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027520164 804101362 /nfs/dbraw/zinc/10/13/62/804101362.db2.gz HBPKZHQUAHJBJA-HNNXBMFYSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)[C@H]1CCC[NH2+]1 ZINC000423104485 804111964 /nfs/dbraw/zinc/11/19/64/804111964.db2.gz BODQHSFDGQQYBB-NWANDNLSSA-N 2 1 260.381 2.110 20 0 CEADMP CC(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001038780817 804236088 /nfs/dbraw/zinc/23/60/88/804236088.db2.gz NKXPEYBMTNVJNO-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001038780817 804236095 /nfs/dbraw/zinc/23/60/95/804236095.db2.gz NKXPEYBMTNVJNO-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccns1 ZINC000715934358 815009502 /nfs/dbraw/zinc/00/95/02/815009502.db2.gz WLGQKWIOJXXITA-JTQLQIEISA-N 2 1 250.371 2.160 20 0 CEADMP CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001027919648 804342558 /nfs/dbraw/zinc/34/25/58/804342558.db2.gz ZFAMRDQIPSTEQM-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001027919648 804342563 /nfs/dbraw/zinc/34/25/63/804342563.db2.gz ZFAMRDQIPSTEQM-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001027919648 804342571 /nfs/dbraw/zinc/34/25/71/804342571.db2.gz ZFAMRDQIPSTEQM-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001167824009 804378851 /nfs/dbraw/zinc/37/88/51/804378851.db2.gz ATNNTLVOBNMCLP-HOTGVXAUSA-N 2 1 297.487 2.297 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC12COC2 ZINC001167826214 804385376 /nfs/dbraw/zinc/38/53/76/804385376.db2.gz PGZRDMAJOGZNIY-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CC1(C)COC1 ZINC001167826151 804386479 /nfs/dbraw/zinc/38/64/79/804386479.db2.gz NFMXZSNEHUODRX-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC001167840380 804439103 /nfs/dbraw/zinc/43/91/03/804439103.db2.gz FZTUZWAHQUQKGM-GDBMZVCRSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001268213160 804546328 /nfs/dbraw/zinc/54/63/28/804546328.db2.gz MUCOJLWIXUBDSX-OAGGEKHMSA-N 2 1 297.487 2.247 20 0 CEADMP CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001028579560 804846827 /nfs/dbraw/zinc/84/68/27/804846827.db2.gz GXVLOWBUMKFPOP-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001028579560 804846836 /nfs/dbraw/zinc/84/68/36/804846836.db2.gz GXVLOWBUMKFPOP-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001028579560 804846843 /nfs/dbraw/zinc/84/68/43/804846843.db2.gz GXVLOWBUMKFPOP-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167936362 804871855 /nfs/dbraw/zinc/87/18/55/804871855.db2.gz NPKQLLAUISSFLV-FICVDOATSA-N 2 1 288.439 2.337 20 0 CEADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167936362 804871863 /nfs/dbraw/zinc/87/18/63/804871863.db2.gz NPKQLLAUISSFLV-FICVDOATSA-N 2 1 288.439 2.337 20 0 CEADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167936362 804871870 /nfs/dbraw/zinc/87/18/70/804871870.db2.gz NPKQLLAUISSFLV-FICVDOATSA-N 2 1 288.439 2.337 20 0 CEADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167936362 804871883 /nfs/dbraw/zinc/87/18/83/804871883.db2.gz NPKQLLAUISSFLV-FICVDOATSA-N 2 1 288.439 2.337 20 0 CEADMP C[C@@H](C[NH2+]CCC1CCCCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268683683 804927031 /nfs/dbraw/zinc/92/70/31/804927031.db2.gz YOUNNYJPMCZUKD-GOEBONIOSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000165087797 807037244 /nfs/dbraw/zinc/03/72/44/807037244.db2.gz YGIPOTAXQUYQKR-GXTWGEPZSA-N 2 1 255.365 2.404 20 0 CEADMP CCCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001269278852 805111592 /nfs/dbraw/zinc/11/15/92/805111592.db2.gz QECZAGZOKQZPPE-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001269278852 805111595 /nfs/dbraw/zinc/11/15/95/805111595.db2.gz QECZAGZOKQZPPE-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001269278852 805111599 /nfs/dbraw/zinc/11/15/99/805111599.db2.gz QECZAGZOKQZPPE-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000924954013 805137546 /nfs/dbraw/zinc/13/75/46/805137546.db2.gz SNXALWBPAFBFCX-OIISXLGYSA-N 2 1 290.455 2.434 20 0 CEADMP CCC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@H]1C ZINC001269675409 805227356 /nfs/dbraw/zinc/22/73/56/805227356.db2.gz AAAYDYWUITXGCL-WBVHZDCISA-N 2 1 297.487 2.391 20 0 CEADMP CN1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167964064 805443249 /nfs/dbraw/zinc/44/32/49/805443249.db2.gz MOQGWOQZQCKNTE-MGNMYUMUSA-N 2 1 277.456 2.076 20 0 CEADMP C[N@@H+]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167964064 805443252 /nfs/dbraw/zinc/44/32/52/805443252.db2.gz MOQGWOQZQCKNTE-MGNMYUMUSA-N 2 1 277.456 2.076 20 0 CEADMP C[N@H+]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167964064 805443259 /nfs/dbraw/zinc/44/32/59/805443259.db2.gz MOQGWOQZQCKNTE-MGNMYUMUSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167964064 805443266 /nfs/dbraw/zinc/44/32/66/805443266.db2.gz MOQGWOQZQCKNTE-MGNMYUMUSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167964064 805443270 /nfs/dbraw/zinc/44/32/70/805443270.db2.gz MOQGWOQZQCKNTE-MGNMYUMUSA-N 2 1 277.456 2.076 20 0 CEADMP O=c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc[nH]1 ZINC001167965385 805465317 /nfs/dbraw/zinc/46/53/17/805465317.db2.gz DOEQRORAWAFSJE-MQVJKMGUSA-N 2 1 287.407 2.282 20 0 CEADMP CO[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967923 805490754 /nfs/dbraw/zinc/49/07/54/805490754.db2.gz LGMHDXHGPUGFSR-PRTUASRFSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H]([NH3+])c1ccn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)n1 ZINC001167968273 805491651 /nfs/dbraw/zinc/49/16/51/805491651.db2.gz OPFMTYXNCKDHHO-YXQSOJMXSA-N 2 1 274.412 2.481 20 0 CEADMP CC(C)(C)N1CC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167978202 805512880 /nfs/dbraw/zinc/51/28/80/805512880.db2.gz MAQGWYIBYBYLTR-ZXFUBFMLSA-N 2 1 291.483 2.464 20 0 CEADMP CC(C)(C)[NH+]1CC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167978202 805512886 /nfs/dbraw/zinc/51/28/86/805512886.db2.gz MAQGWYIBYBYLTR-ZXFUBFMLSA-N 2 1 291.483 2.464 20 0 CEADMP CC(C)(C)[NH+]1CC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167978202 805512893 /nfs/dbraw/zinc/51/28/93/805512893.db2.gz MAQGWYIBYBYLTR-ZXFUBFMLSA-N 2 1 291.483 2.464 20 0 CEADMP C[C@@H]1[C@H](CO)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167984310 805528245 /nfs/dbraw/zinc/52/82/45/805528245.db2.gz MUUXINBWEJKCCX-KEPRREKYSA-N 2 1 278.440 2.095 20 0 CEADMP C[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@H]1O ZINC001167984710 805536910 /nfs/dbraw/zinc/53/69/10/805536910.db2.gz PVSRFWIKXGHJSK-WUOJDRAKSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@H]1O ZINC001167984710 805536914 /nfs/dbraw/zinc/53/69/14/805536914.db2.gz PVSRFWIKXGHJSK-WUOJDRAKSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@H]1O ZINC001167984710 805536917 /nfs/dbraw/zinc/53/69/17/805536917.db2.gz PVSRFWIKXGHJSK-WUOJDRAKSA-N 2 1 292.467 2.485 20 0 CEADMP CC(C)[NH2+][C@H](C)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001029144122 805558588 /nfs/dbraw/zinc/55/85/88/805558588.db2.gz BICFBWPKUIVDOT-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000227748410 807179837 /nfs/dbraw/zinc/17/98/37/807179837.db2.gz HWXXEWBNFPHRLG-LSDHHAIUSA-N 2 1 292.423 2.381 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)CO2)CC[C@@H]1[NH3+] ZINC000716279712 815110048 /nfs/dbraw/zinc/11/00/48/815110048.db2.gz SQWWWWUASWWWMN-ILXRZTDVSA-N 2 1 266.429 2.395 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716309321 815112416 /nfs/dbraw/zinc/11/24/16/815112416.db2.gz LDBNGRJYYOMZCJ-LSDHHAIUSA-N 2 1 266.429 2.397 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716357030 815118731 /nfs/dbraw/zinc/11/87/31/815118731.db2.gz WGXHXVNLSMXPTN-ZIAGYGMSSA-N 2 1 252.402 2.006 20 0 CEADMP [NH3+][C@H]1CCCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001205095439 807590231 /nfs/dbraw/zinc/59/02/31/807590231.db2.gz XRLFRXFCHWPUTN-MSOLQXFVSA-N 2 1 287.451 2.322 20 0 CEADMP C[C@@H]1[C@H](C)SCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699228034 807657093 /nfs/dbraw/zinc/65/70/93/807657093.db2.gz XRYHMNHVMWJOOS-YJBUHQLJSA-N 2 1 254.443 2.343 20 0 CEADMP CC[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC000699283057 807670351 /nfs/dbraw/zinc/67/03/51/807670351.db2.gz QZZXPSYQAUAMKJ-DKUMPPAJSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000699515944 807735096 /nfs/dbraw/zinc/73/50/96/807735096.db2.gz PROFSGORMAZMBE-QLFBSQMISA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]1C[N@H+](CCc2cc(F)c(F)cc2F)C[C@H]1C[NH3+] ZINC001205130307 807735171 /nfs/dbraw/zinc/73/51/71/807735171.db2.gz BHEWKTWYBSZYPD-GXSJLCMTSA-N 2 1 272.314 2.173 20 0 CEADMP C[C@H]1C[N@@H+](CCc2cc(F)c(F)cc2F)C[C@H]1C[NH3+] ZINC001205130307 807735173 /nfs/dbraw/zinc/73/51/73/807735173.db2.gz BHEWKTWYBSZYPD-GXSJLCMTSA-N 2 1 272.314 2.173 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(O)c2)C[C@H]1C[NH3+] ZINC001205140551 807789709 /nfs/dbraw/zinc/78/97/09/807789709.db2.gz NFMYWVFTTXYIRQ-GXSJLCMTSA-N 2 1 286.322 2.020 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000351632506 807859221 /nfs/dbraw/zinc/85/92/21/807859221.db2.gz KMWMLVQPBNOWHE-MRXNPFEDSA-N 2 1 276.428 2.464 20 0 CEADMP COCc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237391053 808216670 /nfs/dbraw/zinc/21/66/70/808216670.db2.gz JXKJWKLEIYHBAB-IUODEOHRSA-N 2 1 280.437 2.468 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237391053 808216674 /nfs/dbraw/zinc/21/66/74/808216674.db2.gz JXKJWKLEIYHBAB-IUODEOHRSA-N 2 1 280.437 2.468 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171545656 815188307 /nfs/dbraw/zinc/18/83/07/815188307.db2.gz FEDYSZUHGJPXOL-LSDHHAIUSA-N 2 1 283.460 2.145 20 0 CEADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171548023 815193490 /nfs/dbraw/zinc/19/34/90/815193490.db2.gz ZZUGAKNTKVMDRB-HOTGVXAUSA-N 2 1 297.487 2.391 20 0 CEADMP CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107040625 808322377 /nfs/dbraw/zinc/32/23/77/808322377.db2.gz JVIBCPPOEQNMMH-ARFHVFGLSA-N 2 1 297.487 2.057 20 0 CEADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@](F)(CO)C2)CC1(C)C ZINC001171631749 815202250 /nfs/dbraw/zinc/20/22/50/815202250.db2.gz NEBFRJRMPIVNNE-OAHLLOKOSA-N 2 1 272.408 2.044 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@](F)(CO)C2)CC1(C)C ZINC001171631749 815202253 /nfs/dbraw/zinc/20/22/53/815202253.db2.gz NEBFRJRMPIVNNE-OAHLLOKOSA-N 2 1 272.408 2.044 20 0 CEADMP C[C@@H]1CN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC[N@H+]1C ZINC001171639617 815213831 /nfs/dbraw/zinc/21/38/31/815213831.db2.gz QPBADMRGDUAPNT-CYBMUJFWSA-N 2 1 267.461 2.274 20 0 CEADMP C[C@@H]1C[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCN1C ZINC001171639617 815213834 /nfs/dbraw/zinc/21/38/34/815213834.db2.gz QPBADMRGDUAPNT-CYBMUJFWSA-N 2 1 267.461 2.274 20 0 CEADMP C[C@@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCN1C ZINC001171639617 815213838 /nfs/dbraw/zinc/21/38/38/815213838.db2.gz QPBADMRGDUAPNT-CYBMUJFWSA-N 2 1 267.461 2.274 20 0 CEADMP CCC(CC)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272780915 808661858 /nfs/dbraw/zinc/66/18/58/808661858.db2.gz DAUGOWQDYLDYJX-SQWLQELKSA-N 2 1 297.487 2.247 20 0 CEADMP CCC/C=C/CC[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171762462 815226685 /nfs/dbraw/zinc/22/66/85/815226685.db2.gz FGAGLXTYTUCPPC-BQYQJAHWSA-N 2 1 283.460 2.171 20 0 CEADMP COc1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@H]([NH3+])C3)CCO2)cc1 ZINC001168585590 808676411 /nfs/dbraw/zinc/67/64/11/808676411.db2.gz HXQJZZYSJRBPRJ-ZOBUZTSGSA-N 2 1 290.407 2.338 20 0 CEADMP COc1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@H]([NH3+])C3)CCO2)cc1 ZINC001168585590 808676414 /nfs/dbraw/zinc/67/64/14/808676414.db2.gz HXQJZZYSJRBPRJ-ZOBUZTSGSA-N 2 1 290.407 2.338 20 0 CEADMP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1c[nH+]c2c(c1)CCCN2 ZINC001168602489 808697809 /nfs/dbraw/zinc/69/78/09/808697809.db2.gz PLKXTADBKJNLPM-GJZGRUSLSA-N 2 1 274.412 2.012 20 0 CEADMP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1(C)C ZINC001120519305 815232892 /nfs/dbraw/zinc/23/28/92/815232892.db2.gz HHIBDIWUMXPYCK-QLFBSQMISA-N 2 1 262.397 2.038 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168684573 808961149 /nfs/dbraw/zinc/96/11/49/808961149.db2.gz KJNYRAYXEAVHPC-WCQYABFASA-N 2 1 264.800 2.349 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001171935743 815255570 /nfs/dbraw/zinc/25/55/70/815255570.db2.gz HMEJFPNWFZGQFS-HLIUYOAVSA-N 2 1 282.428 2.040 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](OC)C23CCC3)C1 ZINC000453100322 809036578 /nfs/dbraw/zinc/03/65/78/809036578.db2.gz RPQHRUFJDSCKIB-ILXRZTDVSA-N 2 1 266.429 2.266 20 0 CEADMP CN(OCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982060 815265899 /nfs/dbraw/zinc/26/58/99/815265899.db2.gz GXOUMYOIRKXPBA-INIZCTEOSA-N 2 1 291.439 2.252 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)C2 ZINC001172101045 815279089 /nfs/dbraw/zinc/27/90/89/815279089.db2.gz VMRJWCHRPMSZNX-ZJPYXAASSA-N 2 1 288.435 2.499 20 0 CEADMP C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1nnc2ccccn21 ZINC001172099602 815282279 /nfs/dbraw/zinc/28/22/79/815282279.db2.gz LKCZRVYZFGXRDX-APIJFGDWSA-N 2 1 299.422 2.395 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1nnc2ccccn21 ZINC001172099602 815282283 /nfs/dbraw/zinc/28/22/83/815282283.db2.gz LKCZRVYZFGXRDX-APIJFGDWSA-N 2 1 299.422 2.395 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1nnc2ccccn21 ZINC001172099602 815282288 /nfs/dbraw/zinc/28/22/88/815282288.db2.gz LKCZRVYZFGXRDX-APIJFGDWSA-N 2 1 299.422 2.395 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000700808507 809354829 /nfs/dbraw/zinc/35/48/29/809354829.db2.gz IMSPPRDOKPKXRQ-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000700808507 809354836 /nfs/dbraw/zinc/35/48/36/809354836.db2.gz IMSPPRDOKPKXRQ-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP C[N@@H+](C1CC1)[C@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172126995 815287617 /nfs/dbraw/zinc/28/76/17/815287617.db2.gz FPMHQDUOIMNFEX-VVLHAWIVSA-N 2 1 277.456 2.170 20 0 CEADMP C[NH+](C1CC1)[C@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172126995 815287620 /nfs/dbraw/zinc/28/76/20/815287620.db2.gz FPMHQDUOIMNFEX-VVLHAWIVSA-N 2 1 277.456 2.170 20 0 CEADMP C[NH+](C1CC1)[C@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172126995 815287621 /nfs/dbraw/zinc/28/76/21/815287621.db2.gz FPMHQDUOIMNFEX-VVLHAWIVSA-N 2 1 277.456 2.170 20 0 CEADMP [NH3+]C1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065798 815285249 /nfs/dbraw/zinc/28/52/49/815285249.db2.gz RCRFSJDIZBPQTD-PIIMJCKOSA-N 2 1 285.435 2.215 20 0 CEADMP C[N@@H+]1C[C@H]2[C@H](C1)CCCN2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172126920 815287722 /nfs/dbraw/zinc/28/77/22/815287722.db2.gz ZJBDEDGBNWJEKH-SIRPWMCASA-N 2 1 277.456 2.028 20 0 CEADMP C[NH+]1C[C@H]2[C@H](C1)CCCN2[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172126920 815287724 /nfs/dbraw/zinc/28/77/24/815287724.db2.gz ZJBDEDGBNWJEKH-SIRPWMCASA-N 2 1 277.456 2.028 20 0 CEADMP C[NH+]1C[C@H]2[C@H](C1)CCCN2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172126920 815287728 /nfs/dbraw/zinc/28/77/28/815287728.db2.gz ZJBDEDGBNWJEKH-SIRPWMCASA-N 2 1 277.456 2.028 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](CCO)C1)C2 ZINC001172125340 815286192 /nfs/dbraw/zinc/28/61/92/815286192.db2.gz PPKXBGSVFKEMPT-JONQDZQNSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](CCO)C1)C2 ZINC001172125340 815286195 /nfs/dbraw/zinc/28/61/95/815286195.db2.gz PPKXBGSVFKEMPT-JONQDZQNSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](CCO)C1)C2 ZINC001172125340 815286197 /nfs/dbraw/zinc/28/61/97/815286197.db2.gz PPKXBGSVFKEMPT-JONQDZQNSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H](CCO)C1)C2 ZINC001172125340 815286200 /nfs/dbraw/zinc/28/62/00/815286200.db2.gz PPKXBGSVFKEMPT-JONQDZQNSA-N 2 1 266.429 2.096 20 0 CEADMP COC(=O)[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1C ZINC001172124929 815286307 /nfs/dbraw/zinc/28/63/07/815286307.db2.gz NAGKFUBIVSKZRX-ARKGTOAJSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1C ZINC001172124929 815286309 /nfs/dbraw/zinc/28/63/09/815286309.db2.gz NAGKFUBIVSKZRX-ARKGTOAJSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1C ZINC001172124929 815286311 /nfs/dbraw/zinc/28/63/11/815286311.db2.gz NAGKFUBIVSKZRX-ARKGTOAJSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC001172124929 815286313 /nfs/dbraw/zinc/28/63/13/815286313.db2.gz NAGKFUBIVSKZRX-ARKGTOAJSA-N 2 1 294.439 2.275 20 0 CEADMP C[NH+]1CCC2(C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)CC1 ZINC001172127929 815287139 /nfs/dbraw/zinc/28/71/39/815287139.db2.gz LUOIQPUFTINZCA-MUJYYYPQSA-N 3 1 277.456 2.029 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3(C1)CC[NH+](C)CC3)C2 ZINC001172127929 815287144 /nfs/dbraw/zinc/28/71/44/815287144.db2.gz LUOIQPUFTINZCA-MUJYYYPQSA-N 2 1 277.456 2.029 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1C(C)(C)O)C2 ZINC001172128387 815288511 /nfs/dbraw/zinc/28/85/11/815288511.db2.gz RRRSDONHWZUDRY-LXTVHRRPSA-N 2 1 266.429 2.237 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H]1C(C)(C)O)C2 ZINC001172128387 815288515 /nfs/dbraw/zinc/28/85/15/815288515.db2.gz RRRSDONHWZUDRY-LXTVHRRPSA-N 2 1 266.429 2.237 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1C(C)(C)O)C2 ZINC001172128387 815288517 /nfs/dbraw/zinc/28/85/17/815288517.db2.gz RRRSDONHWZUDRY-LXTVHRRPSA-N 2 1 266.429 2.237 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1C(C)(C)O)C2 ZINC001172128387 815288521 /nfs/dbraw/zinc/28/85/21/815288521.db2.gz RRRSDONHWZUDRY-LXTVHRRPSA-N 2 1 266.429 2.237 20 0 CEADMP CCO[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172131701 815290589 /nfs/dbraw/zinc/29/05/89/815290589.db2.gz XWLYCVKMNTZSMB-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP CCO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172131701 815290591 /nfs/dbraw/zinc/29/05/91/815290591.db2.gz XWLYCVKMNTZSMB-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP CCO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172131701 815290593 /nfs/dbraw/zinc/29/05/93/815290593.db2.gz XWLYCVKMNTZSMB-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCC(C)(C)C ZINC001128784915 809462476 /nfs/dbraw/zinc/46/24/76/809462476.db2.gz OZGSUVUJUFGVRK-HNNXBMFYSA-N 2 1 297.487 2.393 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCCC1CCOCC1)C2 ZINC000702054215 809490673 /nfs/dbraw/zinc/49/06/73/809490673.db2.gz UBNLWSNKGRQWTN-JKSUJKDBSA-N 2 1 266.429 2.125 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CC(C)(C)O1)C2 ZINC001172107490 815295430 /nfs/dbraw/zinc/29/54/30/815295430.db2.gz YIGJMJIEUXMOOF-YIYPIFLZSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CC(C)(C)O1)C2 ZINC001172107487 815296764 /nfs/dbraw/zinc/29/67/64/815296764.db2.gz YIGJMJIEUXMOOF-CRWXNKLISA-N 2 1 252.402 2.159 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)C2 ZINC001172108246 815298335 /nfs/dbraw/zinc/29/83/35/815298335.db2.gz TWPGPPGINMPVIV-WFLNUHJHSA-N 2 1 266.429 2.142 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)C2 ZINC001172108246 815298337 /nfs/dbraw/zinc/29/83/37/815298337.db2.gz TWPGPPGINMPVIV-WFLNUHJHSA-N 2 1 266.429 2.142 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@]1(C)CCC[N@H+](C)C1)C2 ZINC001172108677 815298657 /nfs/dbraw/zinc/29/86/57/815298657.db2.gz CXDOVTPNJANJQJ-JONQDZQNSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCC[C@](C)(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172108677 815298664 /nfs/dbraw/zinc/29/86/64/815298664.db2.gz CXDOVTPNJANJQJ-JONQDZQNSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCC[C@](C)(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172108677 815298666 /nfs/dbraw/zinc/29/86/66/815298666.db2.gz CXDOVTPNJANJQJ-JONQDZQNSA-N 2 1 265.445 2.076 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CC[C@H](O)CC1)C2 ZINC001172108888 815299036 /nfs/dbraw/zinc/29/90/36/815299036.db2.gz FEYWKHFSEMQAKS-UCZXGBCZSA-N 2 1 266.429 2.142 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(O)CCCCC1)C2 ZINC001172110500 815299798 /nfs/dbraw/zinc/29/97/98/815299798.db2.gz NRSHKOJLFHPSHX-QDMKHBRRSA-N 2 1 266.429 2.287 20 0 CEADMP COC1CC(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172111504 815300895 /nfs/dbraw/zinc/30/08/95/815300895.db2.gz VANCNGMHZCKGRC-PGIBLHQWSA-N 2 1 252.402 2.016 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c(C[NH3+])nc3cnccc31)C2 ZINC001172111198 815301307 /nfs/dbraw/zinc/30/13/07/815301307.db2.gz TZROECBEUSXJHJ-CLLJXQQHSA-N 2 1 285.395 2.078 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cnn3ccccc13)C2 ZINC001172115074 815302078 /nfs/dbraw/zinc/30/20/78/815302078.db2.gz UENXVCWXXPGHCV-PHZGNYQRSA-N 2 1 284.407 2.439 20 0 CEADMP CN(C1CC[NH+](C)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115159 815304372 /nfs/dbraw/zinc/30/43/72/815304372.db2.gz VOGZPESALJIITF-MUJYYYPQSA-N 2 1 265.445 2.028 20 0 CEADMP CN(C1CC[NH+](C)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115159 815304376 /nfs/dbraw/zinc/30/43/76/815304376.db2.gz VOGZPESALJIITF-MUJYYYPQSA-N 2 1 265.445 2.028 20 0 CEADMP CCOC(=O)[C@]12C[C@H]1CC[N@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172117406 815306322 /nfs/dbraw/zinc/30/63/22/815306322.db2.gz GSRDUENLEHMAKO-KDEOKCCVSA-N 2 1 292.423 2.029 20 0 CEADMP CCOC(=O)[C@]12C[C@H]1CC[NH+]2[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172117406 815306328 /nfs/dbraw/zinc/30/63/28/815306328.db2.gz GSRDUENLEHMAKO-KDEOKCCVSA-N 2 1 292.423 2.029 20 0 CEADMP CCOC(=O)[C@]12C[C@H]1CC[NH+]2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172117406 815306333 /nfs/dbraw/zinc/30/63/33/815306333.db2.gz GSRDUENLEHMAKO-KDEOKCCVSA-N 2 1 292.423 2.029 20 0 CEADMP CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001034676438 809658651 /nfs/dbraw/zinc/65/86/51/809658651.db2.gz YUIYWLHQBZPBNA-KLHDSHLOSA-N 2 1 293.455 2.040 20 0 CEADMP COc1cncc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172115845 815307287 /nfs/dbraw/zinc/30/72/87/815307287.db2.gz VMFVVKXIEOZEOK-QDMKHBRRSA-N 2 1 275.396 2.195 20 0 CEADMP CCCCC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)NC ZINC001172117053 815307429 /nfs/dbraw/zinc/30/74/29/815307429.db2.gz JYQXKVTXIHFPDF-FZKCQIBNSA-N 2 1 295.471 2.286 20 0 CEADMP CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001034979277 809728298 /nfs/dbraw/zinc/72/82/98/809728298.db2.gz NSAWCOBVPRBODH-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+](C)C[C@@H]1CCCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121393 815311715 /nfs/dbraw/zinc/31/17/15/815311715.db2.gz FTDDRYMHKYZHCY-FZKCQIBNSA-N 2 1 265.445 2.028 20 0 CEADMP CC(C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001035069629 809741494 /nfs/dbraw/zinc/74/14/94/809741494.db2.gz CDFKSTVANWKNSV-CVEARBPZSA-N 2 1 295.471 2.238 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H]3CCO[C@H]3C1)C2 ZINC001172121690 815313427 /nfs/dbraw/zinc/31/34/27/815313427.db2.gz SQXNSFNGHSEMOT-OWYFMNJBSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]3CCO[C@H]3C1)C2 ZINC001172121690 815313431 /nfs/dbraw/zinc/31/34/31/815313431.db2.gz SQXNSFNGHSEMOT-OWYFMNJBSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H]3CCO[C@H]3C1)C2 ZINC001172121690 815313437 /nfs/dbraw/zinc/31/34/37/815313437.db2.gz SQXNSFNGHSEMOT-OWYFMNJBSA-N 2 1 264.413 2.113 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)CO2)[C@H]1CC[NH3+] ZINC000708349065 809927412 /nfs/dbraw/zinc/92/74/12/809927412.db2.gz PQMKMWPQNLIBEO-RDBSUJKOSA-N 2 1 254.418 2.251 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C(C)(C)O1 ZINC000709702352 809954223 /nfs/dbraw/zinc/95/42/23/809954223.db2.gz MWYVTMXYRQXGSQ-XJKSGUPXSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000710692636 809990744 /nfs/dbraw/zinc/99/07/44/809990744.db2.gz HHHYAFNJDXTOHA-HUUCEWRRSA-N 2 1 283.460 2.227 20 0 CEADMP C[N@H+](CCCCCC[NH3+])Cc1nc(C(C)(C)C)no1 ZINC000710820326 809995223 /nfs/dbraw/zinc/99/52/23/809995223.db2.gz WUTKIDRKYYCROH-UHFFFAOYSA-N 2 1 268.405 2.318 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1nc(C(C)(C)C)no1 ZINC000710820326 809995226 /nfs/dbraw/zinc/99/52/26/809995226.db2.gz WUTKIDRKYYCROH-UHFFFAOYSA-N 2 1 268.405 2.318 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000711832637 810099600 /nfs/dbraw/zinc/09/96/00/810099600.db2.gz KHWNURAZWWSVJV-WMLDXEAASA-N 2 1 278.440 2.408 20 0 CEADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)[C@H](C)C1 ZINC001172226450 815341442 /nfs/dbraw/zinc/34/14/42/815341442.db2.gz ZYUJNEVPOWWAPJ-SDKNFDLMSA-N 2 1 266.429 2.405 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCC3(CCC3)C2)CC1 ZINC001172255684 815359768 /nfs/dbraw/zinc/35/97/68/815359768.db2.gz KJHNCHQJNQKYKX-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCC3(CCC3)C2)CC1 ZINC001172255684 815359773 /nfs/dbraw/zinc/35/97/73/815359773.db2.gz KJHNCHQJNQKYKX-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP COCCCN1CCC([N@H+]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC001172254192 815361489 /nfs/dbraw/zinc/36/14/89/815361489.db2.gz AZNHASSCKUNHIA-GFCCVEGCSA-N 2 1 294.361 2.372 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC001172254192 815361496 /nfs/dbraw/zinc/36/14/96/815361496.db2.gz AZNHASSCKUNHIA-GFCCVEGCSA-N 2 1 294.361 2.372 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC001172254192 815361501 /nfs/dbraw/zinc/36/15/01/815361501.db2.gz AZNHASSCKUNHIA-GFCCVEGCSA-N 2 1 294.361 2.372 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)CCC[NH+](C)C)c1C ZINC000272396223 810385884 /nfs/dbraw/zinc/38/58/84/810385884.db2.gz YVEMRVWENOUMHO-UHFFFAOYSA-N 2 1 265.401 2.091 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001017127780 810493999 /nfs/dbraw/zinc/49/39/99/810493999.db2.gz PZGMYPHPZGHBMJ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001017127780 810494005 /nfs/dbraw/zinc/49/40/05/810494005.db2.gz PZGMYPHPZGHBMJ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001017127780 810494012 /nfs/dbraw/zinc/49/40/12/810494012.db2.gz PZGMYPHPZGHBMJ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001017266659 810503146 /nfs/dbraw/zinc/50/31/46/810503146.db2.gz MDYJESWQCYEHRR-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001017266659 810503152 /nfs/dbraw/zinc/50/31/52/810503152.db2.gz MDYJESWQCYEHRR-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001017266659 810503158 /nfs/dbraw/zinc/50/31/58/810503158.db2.gz MDYJESWQCYEHRR-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C[C@@H](C)CC)C2)[NH+](C)C ZINC001017656806 810539768 /nfs/dbraw/zinc/53/97/68/810539768.db2.gz VZVCLVQGSOMCMZ-CAOSSQGBSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H]1C(=O)OC ZINC001258908248 810717677 /nfs/dbraw/zinc/71/76/77/810717677.db2.gz TZUJIHHOWWTRRM-ZIAGYGMSSA-N 2 1 270.417 2.134 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](O)CC1 ZINC001258908624 810737598 /nfs/dbraw/zinc/73/75/98/810737598.db2.gz ZDGJRWSQEAOFHB-CABCVRRESA-N 2 1 256.434 2.344 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CC=C(C)C ZINC001038319659 810822514 /nfs/dbraw/zinc/82/25/14/810822514.db2.gz BNJDXAATANRIEV-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC=C(C)C ZINC001038319659 810822523 /nfs/dbraw/zinc/82/25/23/810822523.db2.gz BNJDXAATANRIEV-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC=C(C)C ZINC001038319659 810822528 /nfs/dbraw/zinc/82/25/28/810822528.db2.gz BNJDXAATANRIEV-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC=C(C)C ZINC001038319659 810822534 /nfs/dbraw/zinc/82/25/34/810822534.db2.gz BNJDXAATANRIEV-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038783902 810913666 /nfs/dbraw/zinc/91/36/66/810913666.db2.gz ZRLSAIFQLBKXSZ-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001038783902 810913668 /nfs/dbraw/zinc/91/36/68/810913668.db2.gz ZRLSAIFQLBKXSZ-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001038783902 810913675 /nfs/dbraw/zinc/91/36/75/810913675.db2.gz ZRLSAIFQLBKXSZ-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+]CC2CN(Cc3ccccc3)C2)CC1 ZINC000716282584 810926419 /nfs/dbraw/zinc/92/64/19/810926419.db2.gz WXXPPFLZCOFWOF-SFHVURJKSA-N 2 1 287.451 2.192 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC(C)C ZINC001039049264 810974596 /nfs/dbraw/zinc/97/45/96/810974596.db2.gz KLTVQGCBZYWKFY-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)C ZINC001039049264 810974601 /nfs/dbraw/zinc/97/46/01/810974601.db2.gz KLTVQGCBZYWKFY-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC(C)C ZINC001039049264 810974605 /nfs/dbraw/zinc/97/46/05/810974605.db2.gz KLTVQGCBZYWKFY-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001085988148 810993743 /nfs/dbraw/zinc/99/37/43/810993743.db2.gz WQLVQFAQQBUSBQ-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001085988148 810993746 /nfs/dbraw/zinc/99/37/46/810993746.db2.gz WQLVQFAQQBUSBQ-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001085988148 810993750 /nfs/dbraw/zinc/99/37/50/810993750.db2.gz WQLVQFAQQBUSBQ-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000381934073 811114520 /nfs/dbraw/zinc/11/45/20/811114520.db2.gz SYTONRMAANOYFO-OAHLLOKOSA-N 2 1 262.397 2.264 20 0 CEADMP CC(C)COCC[C@@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172479873 815433256 /nfs/dbraw/zinc/43/32/56/815433256.db2.gz DNPNWCXURHFSEA-BZUAXINKSA-N 2 1 268.445 2.321 20 0 CEADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc(CC[NH3+])cn2)nc1 ZINC001168947142 811300852 /nfs/dbraw/zinc/30/08/52/811300852.db2.gz SNENFIKWSQXLDY-AWEZNQCLSA-N 2 1 299.422 2.143 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CCC(C)C)C1 ZINC001042847858 811333674 /nfs/dbraw/zinc/33/36/74/811333674.db2.gz JAYGZLMOINHVQW-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CCC(C)C)C1 ZINC001042847858 811333678 /nfs/dbraw/zinc/33/36/78/811333678.db2.gz JAYGZLMOINHVQW-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CSc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC001205996347 811354001 /nfs/dbraw/zinc/35/40/01/811354001.db2.gz WIHRPBSKRNZQOA-AAEUAGOBSA-N 2 1 280.441 2.005 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCc1cccnc1)C2 ZINC001169099717 811370817 /nfs/dbraw/zinc/37/08/17/811370817.db2.gz UFTUFSRKAJEZDC-PHZGNYQRSA-N 2 1 259.397 2.229 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC(=O)c1ccccc1)C2 ZINC001169100974 811372787 /nfs/dbraw/zinc/37/27/87/811372787.db2.gz NHIKUSFKLBUCOA-PHZGNYQRSA-N 2 1 272.392 2.474 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC(=O)c1ccccc1)C2 ZINC001169100974 811372792 /nfs/dbraw/zinc/37/27/92/811372792.db2.gz NHIKUSFKLBUCOA-PHZGNYQRSA-N 2 1 272.392 2.474 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169100088 811373077 /nfs/dbraw/zinc/37/30/77/811373077.db2.gz FYGXSZKEWPYIAQ-OSYLJGHBSA-N 2 1 287.407 2.360 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CN(Cc3ccccc3)C1)C2 ZINC001169089686 811379625 /nfs/dbraw/zinc/37/96/25/811379625.db2.gz FWBQFZDGENGSPT-REPLKXPHSA-N 2 1 299.462 2.333 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCC1C[NH+](Cc3ccccc3)C1)C2 ZINC001169089686 811379634 /nfs/dbraw/zinc/37/96/34/811379634.db2.gz FWBQFZDGENGSPT-REPLKXPHSA-N 2 1 299.462 2.333 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCC1C[NH+](Cc3ccccc3)C1)C2 ZINC001169089686 811379642 /nfs/dbraw/zinc/37/96/42/811379642.db2.gz FWBQFZDGENGSPT-REPLKXPHSA-N 2 1 299.462 2.333 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc3cc(C[NH3+])ccc3n1)C2 ZINC001169091220 811382042 /nfs/dbraw/zinc/38/20/42/811382042.db2.gz PRVCVJZHQXQPBA-FICVDOATSA-N 2 1 270.380 2.293 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Nc1ccc(C[NH3+])c(F)c1)C2 ZINC001169118072 811387828 /nfs/dbraw/zinc/38/78/28/811387828.db2.gz DDCLSLMCGBAAKW-ZSOGYDGISA-N 2 1 263.360 2.322 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CC1)C2 ZINC001169124353 811393099 /nfs/dbraw/zinc/39/30/99/811393099.db2.gz QADPYGSIABSYJM-ZSOGYDGISA-N 2 1 294.439 2.323 20 0 CEADMP COC1(C)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169126468 811395419 /nfs/dbraw/zinc/39/54/19/811395419.db2.gz UKABOKGKAAJYQZ-BTTYYORXSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C[C@@H]3CCO)CC1)C2 ZINC001169129219 811396657 /nfs/dbraw/zinc/39/66/57/811396657.db2.gz INMNVKRZPJXEJX-JONQDZQNSA-N 2 1 278.440 2.096 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C[C@@H]3CCO)CC1)C2 ZINC001169129219 811396666 /nfs/dbraw/zinc/39/66/66/811396666.db2.gz INMNVKRZPJXEJX-JONQDZQNSA-N 2 1 278.440 2.096 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@](C)(CO)CC1)C2 ZINC001169125943 811397675 /nfs/dbraw/zinc/39/76/75/811397675.db2.gz NZKNOOFTMSPZQW-JJXSEGSLSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@](C)(CO)CC1)C2 ZINC001169125943 811397685 /nfs/dbraw/zinc/39/76/85/811397685.db2.gz NZKNOOFTMSPZQW-JJXSEGSLSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@](C)(CO)CC1)C2 ZINC001169125943 811397696 /nfs/dbraw/zinc/39/76/96/811397696.db2.gz NZKNOOFTMSPZQW-JJXSEGSLSA-N 2 1 266.429 2.096 20 0 CEADMP CN(CCC[NH+]1CCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169139301 811401731 /nfs/dbraw/zinc/40/17/31/811401731.db2.gz AZHNJIRFBGPIKL-ZSHCYNCHSA-N 2 1 265.445 2.029 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCCCC[NH3+])C2 ZINC001169107605 811402068 /nfs/dbraw/zinc/40/20/68/811402068.db2.gz IFQURRBKHLSPMJ-QKDCVEJESA-N 3 1 253.434 2.110 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCCCCC[NH3+])C2 ZINC001169107605 811402071 /nfs/dbraw/zinc/40/20/71/811402071.db2.gz IFQURRBKHLSPMJ-QKDCVEJESA-N 2 1 253.434 2.110 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](Oc3cccnc3)C1)C2 ZINC001169139700 811402145 /nfs/dbraw/zinc/40/21/45/811402145.db2.gz DPXBUYRATSLNLX-WBTNSWJXSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](Oc3cccnc3)C1)C2 ZINC001169139700 811402151 /nfs/dbraw/zinc/40/21/51/811402151.db2.gz DPXBUYRATSLNLX-WBTNSWJXSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](Oc3cccnc3)C1)C2 ZINC001169139700 811402153 /nfs/dbraw/zinc/40/21/53/811402153.db2.gz DPXBUYRATSLNLX-WBTNSWJXSA-N 2 1 287.407 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1COc3ccccc3C1)C2 ZINC001169109396 811403176 /nfs/dbraw/zinc/40/31/76/811403176.db2.gz BWKDHPHXGQXLAE-QSPRXWTASA-N 2 1 286.419 2.453 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CC[NH+](CC3CCCC3)C1)C2 ZINC001169108596 811404294 /nfs/dbraw/zinc/40/42/94/811404294.db2.gz CEFALXWBBJESGW-FJIDUMEYSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001169108596 811404300 /nfs/dbraw/zinc/40/43/00/811404300.db2.gz CEFALXWBBJESGW-FJIDUMEYSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001169108596 811404306 /nfs/dbraw/zinc/40/43/06/811404306.db2.gz CEFALXWBBJESGW-FJIDUMEYSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])c1cccnc1Cl)C2 ZINC001169108622 811404524 /nfs/dbraw/zinc/40/45/24/811404524.db2.gz UDYYXSQGAPJZLK-RTCCRHLQSA-N 2 1 278.787 2.275 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC001169140782 811406211 /nfs/dbraw/zinc/40/62/11/811406211.db2.gz LZORVYQHNINVDC-LOWDOPEQSA-N 2 1 256.340 2.343 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC001169140782 811406217 /nfs/dbraw/zinc/40/62/17/811406217.db2.gz LZORVYQHNINVDC-LOWDOPEQSA-N 2 1 256.340 2.343 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]3(CC3(F)F)C1)C2 ZINC001169140782 811406206 /nfs/dbraw/zinc/40/62/06/811406206.db2.gz LZORVYQHNINVDC-LOWDOPEQSA-N 2 1 256.340 2.343 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](CCO)Cc1cccs1)C2 ZINC001169143146 811407486 /nfs/dbraw/zinc/40/74/86/811407486.db2.gz YHBHZHLKDOZKPO-WDNDVIMCSA-N 2 1 280.437 2.168 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](CCO)Cc1cccs1)C2 ZINC001169143146 811407489 /nfs/dbraw/zinc/40/74/89/811407489.db2.gz YHBHZHLKDOZKPO-WDNDVIMCSA-N 2 1 280.437 2.168 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](CCO)Cc1cccs1)C2 ZINC001169143146 811407494 /nfs/dbraw/zinc/40/74/94/811407494.db2.gz YHBHZHLKDOZKPO-WDNDVIMCSA-N 2 1 280.437 2.168 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](CCO)Cc1cccs1)C2 ZINC001169143146 811407498 /nfs/dbraw/zinc/40/74/98/811407498.db2.gz YHBHZHLKDOZKPO-WDNDVIMCSA-N 2 1 280.437 2.168 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](c3ccncc3)C1)C2 ZINC001169142383 811408537 /nfs/dbraw/zinc/40/85/37/811408537.db2.gz UBILWPZXUATOFX-WCXIOVBPSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H](c3ccncc3)C1)C2 ZINC001169142383 811408543 /nfs/dbraw/zinc/40/85/43/811408543.db2.gz UBILWPZXUATOFX-WCXIOVBPSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H](c3ccncc3)C1)C2 ZINC001169142383 811408547 /nfs/dbraw/zinc/40/85/47/811408547.db2.gz UBILWPZXUATOFX-WCXIOVBPSA-N 2 1 271.408 2.496 20 0 CEADMP CCC(CC)C[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001043874231 811413490 /nfs/dbraw/zinc/41/34/90/811413490.db2.gz FEJYURSWNMEBRL-CQSZACIVSA-N 2 1 295.471 2.050 20 0 CEADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169152745 811414381 /nfs/dbraw/zinc/41/43/81/811414381.db2.gz DVJZTFUAIDUZDJ-MTCSNSOASA-N 2 1 264.413 2.253 20 0 CEADMP COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169152745 811414386 /nfs/dbraw/zinc/41/43/86/811414386.db2.gz DVJZTFUAIDUZDJ-MTCSNSOASA-N 2 1 264.413 2.253 20 0 CEADMP COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169152745 811414391 /nfs/dbraw/zinc/41/43/91/811414391.db2.gz DVJZTFUAIDUZDJ-MTCSNSOASA-N 2 1 264.413 2.253 20 0 CEADMP COC1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169152745 811414395 /nfs/dbraw/zinc/41/43/95/811414395.db2.gz DVJZTFUAIDUZDJ-MTCSNSOASA-N 2 1 264.413 2.253 20 0 CEADMP COC1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169152745 811414400 /nfs/dbraw/zinc/41/44/00/811414400.db2.gz DVJZTFUAIDUZDJ-MTCSNSOASA-N 2 1 264.413 2.253 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169153725 811414558 /nfs/dbraw/zinc/41/45/58/811414558.db2.gz LKXCMYSJRPSQID-HWMZRRJGSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169153725 811414562 /nfs/dbraw/zinc/41/45/62/811414562.db2.gz LKXCMYSJRPSQID-HWMZRRJGSA-N 2 1 294.439 2.277 20 0 CEADMP CCCC[N@@H+](CC)CCNC1CC[NH+](CC)CC1 ZINC001169221824 811436249 /nfs/dbraw/zinc/43/62/49/811436249.db2.gz OOZXNRZHMWGAGD-UHFFFAOYSA-N 2 1 255.450 2.182 20 0 CEADMP CCOC(=O)N1CCC([N@H+](C)C2CC[NH+](CC)CC2)CC1 ZINC001169264515 811454051 /nfs/dbraw/zinc/45/40/51/811454051.db2.gz GOUCWZBBILQVAP-UHFFFAOYSA-N 2 1 297.443 2.023 20 0 CEADMP CCOC(=O)N1CCC([N@@H+](C)C2CC[NH+](CC)CC2)CC1 ZINC001169264515 811454057 /nfs/dbraw/zinc/45/40/57/811454057.db2.gz GOUCWZBBILQVAP-UHFFFAOYSA-N 2 1 297.443 2.023 20 0 CEADMP CC[NH+]1CCC(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC001169244469 811459777 /nfs/dbraw/zinc/45/97/77/811459777.db2.gz QIIDJILQLRKAOF-GOEBONIOSA-N 2 1 267.461 2.179 20 0 CEADMP CCN1CCC([N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)CC1 ZINC001169245460 811461147 /nfs/dbraw/zinc/46/11/47/811461147.db2.gz FASVFQLUEJTCHR-AAEUAGOBSA-N 2 1 294.361 2.106 20 0 CEADMP CCN1CCC([N@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)CC1 ZINC001169245460 811461153 /nfs/dbraw/zinc/46/11/53/811461153.db2.gz FASVFQLUEJTCHR-AAEUAGOBSA-N 2 1 294.361 2.106 20 0 CEADMP CCOC(=O)C[C@H]1CC[N@@H+](C2CC[NH+](CC)CC2)C[C@H]1C ZINC001169267940 811475294 /nfs/dbraw/zinc/47/52/94/811475294.db2.gz CQIBQVASMMDIBO-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)C[C@H]1CC[N@H+](C2CC[NH+](CC)CC2)C[C@H]1C ZINC001169267940 811475298 /nfs/dbraw/zinc/47/52/98/811475298.db2.gz CQIBQVASMMDIBO-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001169458044 811531972 /nfs/dbraw/zinc/53/19/72/811531972.db2.gz ZSVXQTPFZGDYDS-HOTGVXAUSA-N 2 1 297.487 2.474 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(O)c2F)CCC[C@H]1C[NH3+] ZINC001206012799 811572582 /nfs/dbraw/zinc/57/25/82/811572582.db2.gz NZDAWSBADDEMQU-RYUDHWBXSA-N 2 1 266.360 2.338 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c(F)cc(O)cc2F)CCC[C@@H]1C[NH3+] ZINC001206013208 811577500 /nfs/dbraw/zinc/57/75/00/811577500.db2.gz QICHPIDWRSMLFR-WDEREUQCSA-N 2 1 284.350 2.477 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1OC ZINC001206165143 815458873 /nfs/dbraw/zinc/45/88/73/815458873.db2.gz MGBLCUAHWITULB-UONOGXRCSA-N 2 1 296.386 2.355 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1OC ZINC001206165143 815458875 /nfs/dbraw/zinc/45/88/75/815458875.db2.gz MGBLCUAHWITULB-UONOGXRCSA-N 2 1 296.386 2.355 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)CCC[C@@H]1C[NH3+] ZINC001206014827 811604967 /nfs/dbraw/zinc/60/49/67/811604967.db2.gz YGRXRWYVTKVTRC-GXTWGEPZSA-N 3 1 293.480 2.201 20 0 CEADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169950934 811723388 /nfs/dbraw/zinc/72/33/88/811723388.db2.gz XNTCETIZXQRBTK-OAHLLOKOSA-N 2 1 282.428 2.088 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169950934 811723392 /nfs/dbraw/zinc/72/33/92/811723392.db2.gz XNTCETIZXQRBTK-OAHLLOKOSA-N 2 1 282.428 2.088 20 0 CEADMP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046553769 811774048 /nfs/dbraw/zinc/77/40/48/811774048.db2.gz KENYGXWKFCQRCU-RDJZCZTQSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046553769 811774054 /nfs/dbraw/zinc/77/40/54/811774054.db2.gz KENYGXWKFCQRCU-RDJZCZTQSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046553769 811774060 /nfs/dbraw/zinc/77/40/60/811774060.db2.gz KENYGXWKFCQRCU-RDJZCZTQSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046553769 811774063 /nfs/dbraw/zinc/77/40/63/811774063.db2.gz KENYGXWKFCQRCU-RDJZCZTQSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+](C)C1CC[NH+]([C@@H]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001172632419 815479205 /nfs/dbraw/zinc/47/92/05/815479205.db2.gz JOFQYALXFRTIQC-DZGCQCFKSA-N 2 1 282.428 2.134 20 0 CEADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001172632419 815479210 /nfs/dbraw/zinc/47/92/10/815479210.db2.gz JOFQYALXFRTIQC-DZGCQCFKSA-N 2 1 282.428 2.134 20 0 CEADMP CC(C)CCC[C@H](C)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001170068648 812041839 /nfs/dbraw/zinc/04/18/39/812041839.db2.gz HNUTTXXNRLZMBL-INIZCTEOSA-N 2 1 269.477 2.428 20 0 CEADMP CC(C)OC(=O)CC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001172744466 815500172 /nfs/dbraw/zinc/50/01/72/815500172.db2.gz SDLBRCQQIGUPKZ-ZDUSSCGKSA-N 2 1 282.428 2.323 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001172751679 815502920 /nfs/dbraw/zinc/50/29/20/815502920.db2.gz YEYDZEPGAMDBGR-BFHYXJOUSA-N 2 1 270.417 2.037 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001172751679 815502925 /nfs/dbraw/zinc/50/29/25/815502925.db2.gz YEYDZEPGAMDBGR-BFHYXJOUSA-N 2 1 270.417 2.037 20 0 CEADMP CC(C)CCC[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001112961625 812127118 /nfs/dbraw/zinc/12/71/18/812127118.db2.gz FKABJZGECTWEKM-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(F)cn1 ZINC001206036771 812156598 /nfs/dbraw/zinc/15/65/98/812156598.db2.gz PVQMJXLVMQMYDC-OLZOCXBDSA-N 2 1 295.402 2.426 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001113258050 812196412 /nfs/dbraw/zinc/19/64/12/812196412.db2.gz WLRSPBFIZANNDS-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001113495494 812261304 /nfs/dbraw/zinc/26/13/04/812261304.db2.gz IUKHCCUTGLYINX-UHFFFAOYSA-N 2 1 283.460 2.053 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CC[NH+](CCCC(C)C)CC1 ZINC001113571525 812279731 /nfs/dbraw/zinc/27/97/31/812279731.db2.gz SGNUIFRWWHEITJ-UHFFFAOYSA-N 2 1 297.487 2.299 20 0 CEADMP CCC/C=C\CC[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170211121 812338174 /nfs/dbraw/zinc/33/81/74/812338174.db2.gz KIAAIXKDWCDZKR-FPLPWBNLSA-N 2 1 283.460 2.171 20 0 CEADMP CC[C@@H]1C[C@@H]([N@@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC001170220694 812342211 /nfs/dbraw/zinc/34/22/11/812342211.db2.gz IUQWXESIMYJRNW-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CCO1 ZINC001170237570 812350734 /nfs/dbraw/zinc/35/07/34/812350734.db2.gz XBIRKRHBCJAQPB-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP CC[C@H](Cc1ccc2c(c1)OCO2)n1c[nH+]cc1CC[NH3+] ZINC001170406227 812406198 /nfs/dbraw/zinc/40/61/98/812406198.db2.gz UBRBSRCJQDNLNA-CYBMUJFWSA-N 2 1 287.363 2.307 20 0 CEADMP CCOC(=O)C[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254518691 812434623 /nfs/dbraw/zinc/43/46/23/812434623.db2.gz DAPUATJIZFSJPK-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)C[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254518691 812434629 /nfs/dbraw/zinc/43/46/29/812434629.db2.gz DAPUATJIZFSJPK-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)C[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254518691 812434634 /nfs/dbraw/zinc/43/46/34/812434634.db2.gz DAPUATJIZFSJPK-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129839550 812515370 /nfs/dbraw/zinc/51/53/70/812515370.db2.gz BJDJJSSDBPGAFC-CVEARBPZSA-N 2 1 297.487 2.249 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130190005 812542667 /nfs/dbraw/zinc/54/26/67/812542667.db2.gz UWEDKHVFBPYUOA-JKSUJKDBSA-N 2 1 295.471 2.289 20 0 CEADMP CC(=O)Nc1c(C)cc[nH+]c1NCC(C)(C)C[NH+](C)C ZINC001157945139 812562461 /nfs/dbraw/zinc/56/24/61/812562461.db2.gz XHZGLYGTUOXUMV-UHFFFAOYSA-N 2 1 278.400 2.348 20 0 CEADMP [NH3+]C1CCN(c2cc[nH+]c(NCCC3CCC3)n2)CC1 ZINC001158051493 812601796 /nfs/dbraw/zinc/60/17/96/812601796.db2.gz JNXVRZNCEMUCIM-UHFFFAOYSA-N 2 1 275.400 2.006 20 0 CEADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C(=O)OC)C2)C1 ZINC001170525834 812626316 /nfs/dbraw/zinc/62/63/16/812626316.db2.gz UMGJMGFIPGLTNT-MCIONIFRSA-N 2 1 282.428 2.181 20 0 CEADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C(=O)OC)C2)C1 ZINC001170525834 812626319 /nfs/dbraw/zinc/62/63/19/812626319.db2.gz UMGJMGFIPGLTNT-MCIONIFRSA-N 2 1 282.428 2.181 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152896 812791556 /nfs/dbraw/zinc/79/15/56/812791556.db2.gz KNFKZFVORWBOCP-KBPBESRZSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132152896 812791559 /nfs/dbraw/zinc/79/15/59/812791559.db2.gz KNFKZFVORWBOCP-KBPBESRZSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132152896 812791567 /nfs/dbraw/zinc/79/15/67/812791567.db2.gz KNFKZFVORWBOCP-KBPBESRZSA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132441175 812855290 /nfs/dbraw/zinc/85/52/90/812855290.db2.gz LLSRYYVIKXCDAT-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132441175 812855297 /nfs/dbraw/zinc/85/52/97/812855297.db2.gz LLSRYYVIKXCDAT-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132441175 812855310 /nfs/dbraw/zinc/85/53/10/812855310.db2.gz LLSRYYVIKXCDAT-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CO[C@@H]1CCC[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)C1 ZINC001172946654 815557634 /nfs/dbraw/zinc/55/76/34/815557634.db2.gz VBVZKPFOVVKOAB-UONOGXRCSA-N 2 1 263.385 2.480 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(C)n1 ZINC001206185073 815566070 /nfs/dbraw/zinc/56/60/70/815566070.db2.gz LDNVMYDSVIQDFP-ZIAGYGMSSA-N 2 1 281.375 2.050 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(C)n1 ZINC001206185073 815566072 /nfs/dbraw/zinc/56/60/72/815566072.db2.gz LDNVMYDSVIQDFP-ZIAGYGMSSA-N 2 1 281.375 2.050 20 0 CEADMP CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133275350 813022389 /nfs/dbraw/zinc/02/23/89/813022389.db2.gz RPYIAMMFJZEUSV-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2CCSC2)CC1 ZINC001255270301 813029947 /nfs/dbraw/zinc/02/99/47/813029947.db2.gz BKTNGQQFODLXGS-AWEZNQCLSA-N 2 1 277.437 2.454 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccccc1F ZINC000226392636 813041991 /nfs/dbraw/zinc/04/19/91/813041991.db2.gz JBSPDYHXEJXKKY-OAHLLOKOSA-N 2 1 268.376 2.179 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccccc1F ZINC000226392636 813042002 /nfs/dbraw/zinc/04/20/02/813042002.db2.gz JBSPDYHXEJXKKY-OAHLLOKOSA-N 2 1 268.376 2.179 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4ncsc4C3)C2)C1 ZINC001173141849 815602034 /nfs/dbraw/zinc/60/20/34/815602034.db2.gz RBVWVCNLDYXBJE-SWLSCSKDSA-N 2 1 277.437 2.028 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCc4ncsc4C3)C2)C1 ZINC001173141849 815602038 /nfs/dbraw/zinc/60/20/38/815602038.db2.gz RBVWVCNLDYXBJE-SWLSCSKDSA-N 2 1 277.437 2.028 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCc4ncsc4C3)C2)C1 ZINC001173141849 815602042 /nfs/dbraw/zinc/60/20/42/815602042.db2.gz RBVWVCNLDYXBJE-SWLSCSKDSA-N 2 1 277.437 2.028 20 0 CEADMP C[N@H+]1CCC[C@@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC001255472858 813261975 /nfs/dbraw/zinc/26/19/75/813261975.db2.gz JFRUTUGJTKKMQO-OAHLLOKOSA-N 2 1 265.445 2.077 20 0 CEADMP CN1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC001255472858 813261981 /nfs/dbraw/zinc/26/19/81/813261981.db2.gz JFRUTUGJTKKMQO-OAHLLOKOSA-N 2 1 265.445 2.077 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000394224903 813366143 /nfs/dbraw/zinc/36/61/43/813366143.db2.gz ONDGUTVORRONPL-HNNXBMFYSA-N 2 1 276.424 2.345 20 0 CEADMP CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583795 813469327 /nfs/dbraw/zinc/46/93/27/813469327.db2.gz FNWHEEIKWNBMBU-ZIAGYGMSSA-N 2 1 294.443 2.289 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(C)C ZINC001135995176 813582144 /nfs/dbraw/zinc/58/21/44/813582144.db2.gz ARDNRAFTOWBGMR-HUUCEWRRSA-N 2 1 285.476 2.247 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)CC2CCCC2)C[C@@H]1C[NH3+] ZINC000397392961 813615446 /nfs/dbraw/zinc/61/54/46/813615446.db2.gz YYTDQQCEYIRABI-BFJAYTPKSA-N 2 1 268.445 2.233 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170951293 813677109 /nfs/dbraw/zinc/67/71/09/813677109.db2.gz YDKGJGLIKUQAAJ-CQSZACIVSA-N 2 1 273.355 2.478 20 0 CEADMP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@@]23C[NH2+]CCO3)C1 ZINC001246159883 813716661 /nfs/dbraw/zinc/71/66/61/813716661.db2.gz LLDMSKPYHODYNN-LVQVYYBASA-N 2 1 266.429 2.456 20 0 CEADMP CC(C)C[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001074693587 813844181 /nfs/dbraw/zinc/84/41/81/813844181.db2.gz IZNWNGHPMTVCDQ-XHSDSOJGSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074686092 813844242 /nfs/dbraw/zinc/84/42/42/813844242.db2.gz NYZMFDJLOIJJLK-JYJNAYRXSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@H](Cc1ccccn1)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246545699 813975181 /nfs/dbraw/zinc/97/51/81/813975181.db2.gz CLKKZJWCNRIYSZ-UKRRQHHQSA-N 2 1 265.376 2.166 20 0 CEADMP CC1(C)[C@@H]2C[C@H]([N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)C[C@@H]21 ZINC001246561404 814048333 /nfs/dbraw/zinc/04/83/33/814048333.db2.gz WYGQGOUPHFDQDZ-WISYIIOYSA-N 2 1 258.356 2.337 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001255957947 814062477 /nfs/dbraw/zinc/06/24/77/814062477.db2.gz XHINCGPCUREYDB-QWHCGFSZSA-N 2 1 296.377 2.354 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001255957947 814062479 /nfs/dbraw/zinc/06/24/79/814062479.db2.gz XHINCGPCUREYDB-QWHCGFSZSA-N 2 1 296.377 2.354 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001246575599 814119458 /nfs/dbraw/zinc/11/94/58/814119458.db2.gz JXXXECMMYKYJHB-QGZVFWFLSA-N 3 1 279.472 2.312 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](C2CCN(CC3CC3)CC2)CC1 ZINC001246575599 814119462 /nfs/dbraw/zinc/11/94/62/814119462.db2.gz JXXXECMMYKYJHB-QGZVFWFLSA-N 2 1 279.472 2.312 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCN(CC3CC3)CC2)CC1 ZINC001246575599 814119466 /nfs/dbraw/zinc/11/94/66/814119466.db2.gz JXXXECMMYKYJHB-QGZVFWFLSA-N 2 1 279.472 2.312 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@@H](C[NH3+])C1)C2 ZINC001246584209 814165158 /nfs/dbraw/zinc/16/51/58/814165158.db2.gz SYWOQLJCNPOLAO-JONQDZQNSA-N 2 1 265.445 2.063 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@@H](C[NH3+])C1)C2 ZINC001246584209 814165160 /nfs/dbraw/zinc/16/51/60/814165160.db2.gz SYWOQLJCNPOLAO-JONQDZQNSA-N 2 1 265.445 2.063 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@@H](C[NH3+])C1)C2 ZINC001246584209 814165165 /nfs/dbraw/zinc/16/51/65/814165165.db2.gz SYWOQLJCNPOLAO-JONQDZQNSA-N 2 1 265.445 2.063 20 0 CEADMP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@H](N)[C@H](F)CC2)CC1(C)C ZINC001246595128 814190456 /nfs/dbraw/zinc/19/04/56/814190456.db2.gz XLPYCSOKKSTBTR-ZIAGYGMSSA-N 2 1 285.451 2.399 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](N)[C@H](F)CC2)CC1(C)C ZINC001246595128 814190462 /nfs/dbraw/zinc/19/04/62/814190462.db2.gz XLPYCSOKKSTBTR-ZIAGYGMSSA-N 2 1 285.451 2.399 20 0 CEADMP CCCCC[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001100873021 814197710 /nfs/dbraw/zinc/19/77/10/814197710.db2.gz RKRZVWMVLOIDIH-QQFBHYJXSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171261353 814244043 /nfs/dbraw/zinc/24/40/43/814244043.db2.gz UEBNNPZXKARVQG-AWEZNQCLSA-N 2 1 295.471 2.145 20 0 CEADMP C1CCC2(C1)CCC([N@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246647148 814244167 /nfs/dbraw/zinc/24/41/67/814244167.db2.gz ZGNWELWYFRNNDC-QGZVFWFLSA-N 2 1 277.456 2.127 20 0 CEADMP CC(C)=CC[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160867262 814257622 /nfs/dbraw/zinc/25/76/22/814257622.db2.gz FWZBTOCACPFPLF-JKSUJKDBSA-N 2 1 293.455 2.065 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CCOCC3)CC2)CC[NH2+]1 ZINC001246844568 814279259 /nfs/dbraw/zinc/27/92/59/814279259.db2.gz ZHZSCWTWVNGMBE-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCC1 ZINC001146590821 814297963 /nfs/dbraw/zinc/29/79/63/814297963.db2.gz BMJQIFJNNYSRLE-HUUCEWRRSA-N 2 1 297.487 2.390 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC1CCCCCC1 ZINC001146719616 814313830 /nfs/dbraw/zinc/31/38/30/814313830.db2.gz RLWLOWRFVRLUNT-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320699 814378872 /nfs/dbraw/zinc/37/88/72/814378872.db2.gz PCCVWPHHWCCISU-GDBMZVCRSA-N 2 1 297.487 2.058 20 0 CEADMP C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246911064 814384313 /nfs/dbraw/zinc/38/43/13/814384313.db2.gz PDCZIWKKZMZNLY-AJNGGQMLSA-N 3 1 267.461 2.355 20 0 CEADMP CCCC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520478 814393995 /nfs/dbraw/zinc/39/39/95/814393995.db2.gz MJHSHGSOGFPVOK-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](C)CC ZINC001147359146 814428461 /nfs/dbraw/zinc/42/84/61/814428461.db2.gz MALXWGPRSCQHRI-JKSUJKDBSA-N 2 1 297.487 2.393 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC001103158191 814473513 /nfs/dbraw/zinc/47/35/13/814473513.db2.gz YITDZLZAFNCIHZ-HUUCEWRRSA-N 2 1 297.487 2.199 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001103158191 814473523 /nfs/dbraw/zinc/47/35/23/814473523.db2.gz YITDZLZAFNCIHZ-HUUCEWRRSA-N 2 1 297.487 2.199 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC001103158191 814473529 /nfs/dbraw/zinc/47/35/29/814473529.db2.gz YITDZLZAFNCIHZ-HUUCEWRRSA-N 2 1 297.487 2.199 20 0 CEADMP CCCC[C@H](CC)[N@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001247008620 814519637 /nfs/dbraw/zinc/51/96/37/814519637.db2.gz NNCCVDBMDABDEJ-LSDHHAIUSA-N 2 1 296.455 2.430 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC1CCCCC1 ZINC001148577725 814590305 /nfs/dbraw/zinc/59/03/05/814590305.db2.gz ACHJTCIDFUXBMZ-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CCCC1CCC1 ZINC001148578013 814590582 /nfs/dbraw/zinc/59/05/82/814590582.db2.gz NJIYSHXAQKVJPH-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP CC(C)(C[NH3+])[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171338594 814615372 /nfs/dbraw/zinc/61/53/72/814615372.db2.gz WLIVPNHMJYVOGT-LLVKDONJSA-N 2 1 254.324 2.149 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171352736 814653856 /nfs/dbraw/zinc/65/38/56/814653856.db2.gz AITRBFASKRXKBN-ZWNOBZJWSA-N 2 1 268.351 2.349 20 0 CEADMP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(F)F ZINC000698592780 814657923 /nfs/dbraw/zinc/65/79/23/814657923.db2.gz PUZMYUWZQSLTFL-INIZCTEOSA-N 2 1 298.377 2.257 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000698969263 814661707 /nfs/dbraw/zinc/66/17/07/814661707.db2.gz VLCZRPXQGKPINX-IUCAKERBSA-N 2 1 256.337 2.012 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](O)[C@@H](F)CC2)CC1 ZINC001173108311 815582084 /nfs/dbraw/zinc/58/20/84/815582084.db2.gz BGHSKAAOBWHPJF-CKUJCDMFSA-N 2 1 286.435 2.434 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H](F)[C@@H](OC)C2)CC1 ZINC001173109298 815583037 /nfs/dbraw/zinc/58/30/37/815583037.db2.gz GJDIZDXDYYKXCP-WUCCLRPBSA-N 2 1 272.408 2.308 20 0 CEADMP CCC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCCC1 ZINC001115630681 814735683 /nfs/dbraw/zinc/73/56/83/814735683.db2.gz VANLNMGVLWEKNW-UHFFFAOYSA-N 2 1 292.427 2.010 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3ncsc3C2)CC1 ZINC001173126862 815589295 /nfs/dbraw/zinc/58/92/95/815589295.db2.gz RPOJTUCASXWABW-RYUDHWBXSA-N 2 1 265.426 2.074 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC(C)C)CCCCC1 ZINC001115806427 814757413 /nfs/dbraw/zinc/75/74/13/814757413.db2.gz WNSTWESWHLRYGV-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2[NH+](C)C)C[N@@H+]1C1CC1 ZINC001116295015 814844700 /nfs/dbraw/zinc/84/47/00/814844700.db2.gz APAVNAMTHBQZJF-CLWVCHIJSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2[NH+](C)C)C[N@H+]1C1CC1 ZINC001116295015 814844705 /nfs/dbraw/zinc/84/47/05/814844705.db2.gz APAVNAMTHBQZJF-CLWVCHIJSA-N 2 1 265.445 2.074 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)CO2)CC[C@@H]1[NH3+] ZINC000713596001 814865772 /nfs/dbraw/zinc/86/57/72/814865772.db2.gz KHPXEEPHZBXZBB-RDBSUJKOSA-N 2 1 254.418 2.251 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171397718 814874902 /nfs/dbraw/zinc/87/49/02/814874902.db2.gz SZOUFLZZEIMJGO-AWEZNQCLSA-N 2 1 273.355 2.478 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)O1 ZINC000714378399 814889454 /nfs/dbraw/zinc/88/94/54/814889454.db2.gz AWKNFDRWOXAOCO-HIFRSBDPSA-N 2 1 252.402 2.020 20 0 CEADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC001116918314 814891820 /nfs/dbraw/zinc/89/18/20/814891820.db2.gz XEMURSBSKBYUKP-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@@H]2CCCC(C)(C)O2)[C@@H]1CN ZINC000714349611 814896532 /nfs/dbraw/zinc/89/65/32/814896532.db2.gz MSDAZSYLYPWCMP-HZSPNIEDSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)O2)[C@@H]1CN ZINC000714349611 814896537 /nfs/dbraw/zinc/89/65/37/814896537.db2.gz MSDAZSYLYPWCMP-HZSPNIEDSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@@H]2CCCC(C)(C)O2)[C@@H]1C[NH3+] ZINC000714349611 814896543 /nfs/dbraw/zinc/89/65/43/814896543.db2.gz MSDAZSYLYPWCMP-HZSPNIEDSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)O2)[C@@H]1C[NH3+] ZINC000714349611 814896547 /nfs/dbraw/zinc/89/65/47/814896547.db2.gz MSDAZSYLYPWCMP-HZSPNIEDSA-N 2 1 254.418 2.393 20 0 CEADMP CCn1nc(C)c(C[NH+]2CCC([NH3+])(CC)CC2)c1C ZINC000714754256 814914621 /nfs/dbraw/zinc/91/46/21/814914621.db2.gz QTJMBZAWHWTLBL-UHFFFAOYSA-N 2 1 264.417 2.223 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000714994143 814921661 /nfs/dbraw/zinc/92/16/61/814921661.db2.gz GBYMBBKGFQJVHT-HOTGVXAUSA-N 2 1 274.408 2.448 20 0 CEADMP COc1c(C)cccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206197074 815652094 /nfs/dbraw/zinc/65/20/94/815652094.db2.gz GESHKFIVCVDWOT-KBPBESRZSA-N 2 1 266.360 2.265 20 0 CEADMP CC[N@H+]1CC[C@H](n2cc(C[NH3+])c3c2cccc3OC)C1 ZINC001173354147 815694908 /nfs/dbraw/zinc/69/49/08/815694908.db2.gz WZJGCOADRDKWJM-ZDUSSCGKSA-N 2 1 273.380 2.375 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2c(Cl)[nH]c3cnccc32)CC[C@@H]1F ZINC001206199711 815712383 /nfs/dbraw/zinc/71/23/83/815712383.db2.gz PFCPHLQCCRMQNP-NWDGAFQWSA-N 2 1 296.777 2.478 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2c(Cl)[nH]c3cnccc32)CC[C@@H]1F ZINC001206199711 815712388 /nfs/dbraw/zinc/71/23/88/815712388.db2.gz PFCPHLQCCRMQNP-NWDGAFQWSA-N 2 1 296.777 2.478 20 0 CEADMP COc1ccc(F)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001137992010 815714546 /nfs/dbraw/zinc/71/45/46/815714546.db2.gz DRXHPARJFYBJNI-OCCSQVGLSA-N 2 1 278.371 2.218 20 0 CEADMP COc1ccc(F)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001137992010 815714550 /nfs/dbraw/zinc/71/45/50/815714550.db2.gz DRXHPARJFYBJNI-OCCSQVGLSA-N 2 1 278.371 2.218 20 0 CEADMP COc1ccc(F)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001137992010 815714554 /nfs/dbraw/zinc/71/45/54/815714554.db2.gz DRXHPARJFYBJNI-OCCSQVGLSA-N 2 1 278.371 2.218 20 0 CEADMP COc1ccc(F)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001137992010 815714558 /nfs/dbraw/zinc/71/45/58/815714558.db2.gz DRXHPARJFYBJNI-OCCSQVGLSA-N 2 1 278.371 2.218 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173658121 815776827 /nfs/dbraw/zinc/77/68/27/815776827.db2.gz SUMUVRWFHGIZBB-GFCCVEGCSA-N 2 1 293.377 2.087 20 0 CEADMP Cc1ccc2[nH]c(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)cc2c1 ZINC001138420104 815795620 /nfs/dbraw/zinc/79/56/20/815795620.db2.gz ODXPABWXBOBNFQ-GASCZTMLSA-N 2 1 269.392 2.470 20 0 CEADMP Cc1ccc2[nH]c(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)cc2c1 ZINC001138420104 815795628 /nfs/dbraw/zinc/79/56/28/815795628.db2.gz ODXPABWXBOBNFQ-GASCZTMLSA-N 2 1 269.392 2.470 20 0 CEADMP Cc1ccc2[nH]c(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc2c1 ZINC001138420104 815795635 /nfs/dbraw/zinc/79/56/35/815795635.db2.gz ODXPABWXBOBNFQ-GASCZTMLSA-N 2 1 269.392 2.470 20 0 CEADMP Cc1ccc2[nH]c(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc2c1 ZINC001138420104 815795638 /nfs/dbraw/zinc/79/56/38/815795638.db2.gz ODXPABWXBOBNFQ-GASCZTMLSA-N 2 1 269.392 2.470 20 0 CEADMP Cc1nccn1-c1ccc(C[N@H+]2CC[C@](F)(CO)C2)cc1 ZINC001138543662 815822742 /nfs/dbraw/zinc/82/27/42/815822742.db2.gz TUKCWGFGNJEZCT-MRXNPFEDSA-N 2 1 289.354 2.087 20 0 CEADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175264326 816164815 /nfs/dbraw/zinc/16/48/15/816164815.db2.gz SSXSMTMTJZCEPR-HOTGVXAUSA-N 2 1 297.487 2.393 20 0 CEADMP Cc1[nH+]ccn1-c1ccccc1CN1CC([NH+]2CCCC2)C1 ZINC001140028285 816170367 /nfs/dbraw/zinc/17/03/67/816170367.db2.gz QUYIXRWBTSPKTR-UHFFFAOYSA-N 2 1 296.418 2.461 20 0 CEADMP COC[C@H]1CC[N@@H+]1Cc1ccccc1-n1cc[nH+]c1C ZINC001140029177 816170502 /nfs/dbraw/zinc/17/05/02/816170502.db2.gz IEVQCRRVRFOKGX-OAHLLOKOSA-N 2 1 271.364 2.401 20 0 CEADMP COC[C@H]1CC[N@H+]1Cc1ccccc1-n1cc[nH+]c1C ZINC001140029177 816170504 /nfs/dbraw/zinc/17/05/04/816170504.db2.gz IEVQCRRVRFOKGX-OAHLLOKOSA-N 2 1 271.364 2.401 20 0 CEADMP COC(=O)c1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)s1 ZINC001140523985 816275488 /nfs/dbraw/zinc/27/54/88/816275488.db2.gz KTDUERWKHVWJCS-UHFFFAOYSA-N 2 1 294.420 2.062 20 0 CEADMP COC(=O)c1cccc2[nH+]cc(Nc3ccc(C[NH3+])cc3)n21 ZINC001175966300 816309575 /nfs/dbraw/zinc/30/95/75/816309575.db2.gz NUMNRKJKHQPUPB-UHFFFAOYSA-N 2 1 296.330 2.323 20 0 CEADMP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(C)c1 ZINC001140674022 816318651 /nfs/dbraw/zinc/31/86/51/816318651.db2.gz JQQQCBRRFGDINP-CVEARBPZSA-N 2 1 274.408 2.387 20 0 CEADMP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(C)c1 ZINC001140674022 816318657 /nfs/dbraw/zinc/31/86/57/816318657.db2.gz JQQQCBRRFGDINP-CVEARBPZSA-N 2 1 274.408 2.387 20 0 CEADMP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(C)c1 ZINC001140674022 816318661 /nfs/dbraw/zinc/31/86/61/816318661.db2.gz JQQQCBRRFGDINP-CVEARBPZSA-N 2 1 274.408 2.387 20 0 CEADMP C[NH+]1CCN(c2c(F)cccc2Nc2[nH]cc[nH+]2)CC1 ZINC001176090708 816339015 /nfs/dbraw/zinc/33/90/15/816339015.db2.gz NOYHICUMXJUQEU-UHFFFAOYSA-N 2 1 275.331 2.044 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCN(Cc2cnc3cc[nH]cc2-3)C1 ZINC001140805958 816365737 /nfs/dbraw/zinc/36/57/37/816365737.db2.gz QZCWRADMYMOQEO-CQSZACIVSA-N 2 1 272.396 2.477 20 0 CEADMP CC(C)[N@H+](C)[C@@H]1CCN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805958 816365754 /nfs/dbraw/zinc/36/57/54/816365754.db2.gz QZCWRADMYMOQEO-CQSZACIVSA-N 2 1 272.396 2.477 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCN(Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805958 816365761 /nfs/dbraw/zinc/36/57/61/816365761.db2.gz QZCWRADMYMOQEO-CQSZACIVSA-N 2 1 272.396 2.477 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000120874883 816373755 /nfs/dbraw/zinc/37/37/55/816373755.db2.gz PEAFQWUEQVBWII-UHFFFAOYSA-N 2 1 299.422 2.424 20 0 CEADMP c1ccc2c(c1)C[C@H](C[NH2+]C1CC[NH+](C3CC3)CC1)CO2 ZINC000838893037 816556360 /nfs/dbraw/zinc/55/63/60/816556360.db2.gz YTMRLFLSZUQISA-CQSZACIVSA-N 2 1 286.419 2.454 20 0 CEADMP Cn1cc2c(cccc2C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC001142465646 816672914 /nfs/dbraw/zinc/67/29/14/816672914.db2.gz YJVMVIWKNKWRPU-UHFFFAOYSA-N 2 1 298.434 2.491 20 0 CEADMP CC(C)CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001178702089 816787967 /nfs/dbraw/zinc/78/79/67/816787967.db2.gz QNVWUVUIWRSMFD-BZUAXINKSA-N 2 1 295.471 2.225 20 0 CEADMP COc1cc(C)cc(OC)c1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001143144680 816792003 /nfs/dbraw/zinc/79/20/03/816792003.db2.gz NIQNGBAGGXDTHQ-OKILXGFUSA-N 2 1 290.407 2.006 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC1CC(C)(C)C1 ZINC001161226413 816806808 /nfs/dbraw/zinc/80/68/08/816806808.db2.gz GZQFEULZCWPLGK-UHFFFAOYSA-N 2 1 297.487 2.249 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](CCCCO)C1CC1 ZINC000124329651 187132948 /nfs/dbraw/zinc/13/29/48/187132948.db2.gz WXJQIQMIZFPXKU-UHFFFAOYSA-N 2 1 265.401 2.209 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](CCCCO)C1CC1 ZINC000124329651 187132949 /nfs/dbraw/zinc/13/29/49/187132949.db2.gz WXJQIQMIZFPXKU-UHFFFAOYSA-N 2 1 265.401 2.209 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCC23CCC3)CC1 ZINC000337416991 214067064 /nfs/dbraw/zinc/06/70/64/214067064.db2.gz ZWIYLWBVCCIBNC-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP COCC[N@H+](C)CCC[NH2+]Cc1ccc(C)cc1OC ZINC000449080460 282092186 /nfs/dbraw/zinc/09/21/86/282092186.db2.gz WKRYTZVRXIFIHR-UHFFFAOYSA-N 2 1 280.412 2.062 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(C)cc1OC ZINC000449080460 282092189 /nfs/dbraw/zinc/09/21/89/282092189.db2.gz WKRYTZVRXIFIHR-UHFFFAOYSA-N 2 1 280.412 2.062 20 0 CEADMP COCC1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000449084610 282093814 /nfs/dbraw/zinc/09/38/14/282093814.db2.gz YIUQNDVVNDSCTH-CKUJCDMFSA-N 2 1 266.429 2.408 20 0 CEADMP COCC1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000449084610 282093816 /nfs/dbraw/zinc/09/38/16/282093816.db2.gz YIUQNDVVNDSCTH-CKUJCDMFSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000336213060 365529516 /nfs/dbraw/zinc/52/95/16/365529516.db2.gz RLRNBXZLOSGMOZ-IYBDPMFKSA-N 2 1 296.418 2.140 20 0 CEADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000336213060 365529522 /nfs/dbraw/zinc/52/95/22/365529522.db2.gz RLRNBXZLOSGMOZ-IYBDPMFKSA-N 2 1 296.418 2.140 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000449098591 282099636 /nfs/dbraw/zinc/09/96/36/282099636.db2.gz KADPXYRXAZSEIR-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP C[N@H+](CCOc1ccccc1)CC[C@@H]1CCC[NH+]1C ZINC000124667480 187148369 /nfs/dbraw/zinc/14/83/69/187148369.db2.gz PMRPLNWMTXPLES-HNNXBMFYSA-N 2 1 262.397 2.482 20 0 CEADMP C[N@@H+](CCOc1ccccc1)CC[C@@H]1CCC[NH+]1C ZINC000124667480 187148370 /nfs/dbraw/zinc/14/83/70/187148370.db2.gz PMRPLNWMTXPLES-HNNXBMFYSA-N 2 1 262.397 2.482 20 0 CEADMP C[NH+](CCOc1ccccc1)CC[C@@H]1CCC[N@@H+]1C ZINC000124667480 187148371 /nfs/dbraw/zinc/14/83/71/187148371.db2.gz PMRPLNWMTXPLES-HNNXBMFYSA-N 2 1 262.397 2.482 20 0 CEADMP C[NH+](CCOc1ccccc1)CC[C@@H]1CCC[N@H+]1C ZINC000124667480 187148372 /nfs/dbraw/zinc/14/83/72/187148372.db2.gz PMRPLNWMTXPLES-HNNXBMFYSA-N 2 1 262.397 2.482 20 0 CEADMP CC(C)[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CC1 ZINC000124523368 365653429 /nfs/dbraw/zinc/65/34/29/365653429.db2.gz NZERNPVCICDEOT-QGZVFWFLSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@H]1C[C@H](NCC[NH+]2CCCCCC2)C[N@@H+]1C1CC1 ZINC000124001953 365643850 /nfs/dbraw/zinc/64/38/50/365643850.db2.gz XQUMKQOTCAKOFT-GJZGRUSLSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@H]1C[C@H](NCC[NH+]2CCCCCC2)C[N@H+]1C1CC1 ZINC000124001953 365643855 /nfs/dbraw/zinc/64/38/55/365643855.db2.gz XQUMKQOTCAKOFT-GJZGRUSLSA-N 2 1 265.445 2.077 20 0 CEADMP CN(CCC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000125212799 365669531 /nfs/dbraw/zinc/66/95/31/365669531.db2.gz KZRNBQBWFIELKT-MRXNPFEDSA-N 3 1 267.461 2.136 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000449162459 282126380 /nfs/dbraw/zinc/12/63/80/282126380.db2.gz JFKVDMVKYJFTKC-OUCADQQQSA-N 2 1 251.374 2.127 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000621346253 349569994 /nfs/dbraw/zinc/56/99/94/349569994.db2.gz ILSVBDWUAVNHJX-CYBMUJFWSA-N 2 1 286.379 2.029 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996447 361880241 /nfs/dbraw/zinc/88/02/41/361880241.db2.gz KPJUCXOYCLFQQN-HZPDHXFCSA-N 2 1 260.381 2.412 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996447 361880248 /nfs/dbraw/zinc/88/02/48/361880248.db2.gz KPJUCXOYCLFQQN-HZPDHXFCSA-N 2 1 260.381 2.412 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000125459200 187185564 /nfs/dbraw/zinc/18/55/64/187185564.db2.gz ZNYZLWMVBVLVLH-MRXNPFEDSA-N 2 1 284.407 2.256 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C(N)=O)cc2)CC1 ZINC000037786477 361938083 /nfs/dbraw/zinc/93/80/83/361938083.db2.gz IWPBVXHIUNAKSJ-UHFFFAOYSA-N 2 1 289.423 2.138 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc2cccc(C)n12 ZINC000337950225 214327157 /nfs/dbraw/zinc/32/71/57/214327157.db2.gz QDJNVRSJYAXCIB-UHFFFAOYSA-N 2 1 283.379 2.328 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000394388444 539029375 /nfs/dbraw/zinc/02/93/75/539029375.db2.gz YTOJWLJUALPUFX-MSOLQXFVSA-N 2 1 299.462 2.391 20 0 CEADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc2c1CC[NH2+]C2 ZINC000394388444 539029376 /nfs/dbraw/zinc/02/93/76/539029376.db2.gz YTOJWLJUALPUFX-MSOLQXFVSA-N 2 1 299.462 2.391 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc2c1CC[NH2+]C2 ZINC000394388444 539029378 /nfs/dbraw/zinc/02/93/78/539029378.db2.gz YTOJWLJUALPUFX-MSOLQXFVSA-N 2 1 299.462 2.391 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccnn1C(C)C ZINC000337951860 214329498 /nfs/dbraw/zinc/32/94/98/214329498.db2.gz NQSHQMMORIKMDY-UHFFFAOYSA-N 2 1 261.373 2.149 20 0 CEADMP C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C[NH+]1CCCCC1 ZINC000038041992 361984985 /nfs/dbraw/zinc/98/49/85/361984985.db2.gz CQNLRBNMBFCTNE-QBPKDAKJSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C[NH+]1CCCCC1 ZINC000038041992 361984991 /nfs/dbraw/zinc/98/49/91/361984991.db2.gz CQNLRBNMBFCTNE-QBPKDAKJSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C[NH+]1CCCCC1 ZINC000038041992 361984996 /nfs/dbraw/zinc/98/49/96/361984996.db2.gz CQNLRBNMBFCTNE-QBPKDAKJSA-N 3 1 281.488 2.427 20 0 CEADMP COCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000125548166 187190316 /nfs/dbraw/zinc/19/03/16/187190316.db2.gz VVAQUMZOQHLDCD-MRXNPFEDSA-N 2 1 292.423 2.095 20 0 CEADMP COCCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000125548166 187190317 /nfs/dbraw/zinc/19/03/17/187190317.db2.gz VVAQUMZOQHLDCD-MRXNPFEDSA-N 2 1 292.423 2.095 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621642562 349650354 /nfs/dbraw/zinc/65/03/54/349650354.db2.gz QIRVWJXGKJPCBY-OAGGEKHMSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621671429 349657568 /nfs/dbraw/zinc/65/75/68/349657568.db2.gz SCASYVLGEJRJTC-CQSZACIVSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@@H](C(=O)N(CC[NH+]1CCCC1)c1ccccc1)[NH+](C)C ZINC000078748282 539175934 /nfs/dbraw/zinc/17/59/34/539175934.db2.gz VVYQPUBLUAQTOU-HNNXBMFYSA-N 2 1 289.423 2.066 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000312904067 539169655 /nfs/dbraw/zinc/16/96/55/539169655.db2.gz ZCEGUAMAFWCTIF-IYBDPMFKSA-N 2 1 274.408 2.435 20 0 CEADMP C[N@@H+](CCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])C1CCCCC1 ZINC000449320946 282186871 /nfs/dbraw/zinc/18/68/71/282186871.db2.gz QEILPHHXSNIBNH-GOEBONIOSA-N 2 1 295.471 2.275 20 0 CEADMP CC(=O)N1CC[C@H]([NH2+]CCn2cc[nH+]c2C)c2ccccc21 ZINC000621751173 349692466 /nfs/dbraw/zinc/69/24/66/349692466.db2.gz BHWXKFHXXKBWAE-INIZCTEOSA-N 2 1 298.390 2.279 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccn1 ZINC000621776161 349698344 /nfs/dbraw/zinc/69/83/44/349698344.db2.gz DFWAGBYBUKXGRE-HZPDHXFCSA-N 2 1 259.397 2.212 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cncc(Cl)c3)C[C@H]21 ZINC000621775434 349698679 /nfs/dbraw/zinc/69/86/79/349698679.db2.gz OYOQCMFKJKXYTC-MRVWCRGKSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cncc(Cl)c3)C[C@H]21 ZINC000621775434 349698680 /nfs/dbraw/zinc/69/86/80/349698680.db2.gz OYOQCMFKJKXYTC-MRVWCRGKSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCCOc1ccccc1)C2 ZINC000621779317 349700373 /nfs/dbraw/zinc/70/03/73/349700373.db2.gz CQOKVLJFJFPYER-GDBMZVCRSA-N 2 1 260.381 2.269 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCOc1ccccc1)C2 ZINC000621779317 349700378 /nfs/dbraw/zinc/70/03/78/349700378.db2.gz CQOKVLJFJFPYER-GDBMZVCRSA-N 2 1 260.381 2.269 20 0 CEADMP CCn1nccc1CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000621775237 349697846 /nfs/dbraw/zinc/69/78/46/349697846.db2.gz JFYIQIKRYDONNH-HOTGVXAUSA-N 2 1 290.455 2.157 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccn1 ZINC000621776159 349698045 /nfs/dbraw/zinc/69/80/45/349698045.db2.gz DFWAGBYBUKXGRE-CVEARBPZSA-N 2 1 259.397 2.212 20 0 CEADMP C[C@H]1OCC[N@@H+](CCCCC[NH+]2CCO[C@@H](C)[C@H]2C)[C@H]1C ZINC000139136173 539226722 /nfs/dbraw/zinc/22/67/22/539226722.db2.gz NVLZNECMNXBIHR-ZYGGUILKSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@H]1OCC[NH+](CCCCC[N@@H+]2CCO[C@@H](C)[C@H]2C)[C@H]1C ZINC000139136173 539226723 /nfs/dbraw/zinc/22/67/23/539226723.db2.gz NVLZNECMNXBIHR-ZYGGUILKSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@H]1OCC[NH+](CCCCC[N@H+]2CCO[C@@H](C)[C@H]2C)[C@H]1C ZINC000139136173 539226724 /nfs/dbraw/zinc/22/67/24/539226724.db2.gz NVLZNECMNXBIHR-ZYGGUILKSA-N 2 1 298.471 2.375 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC000126069699 187215151 /nfs/dbraw/zinc/21/51/51/187215151.db2.gz CAGFPURPNFILBW-CABCVRRESA-N 2 1 256.434 2.367 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300526608 539250356 /nfs/dbraw/zinc/25/03/56/539250356.db2.gz BYLCMCIABFOHFS-ZIAGYGMSSA-N 2 1 252.402 2.149 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000401746912 539254495 /nfs/dbraw/zinc/25/44/95/539254495.db2.gz KVMXQGYCJMVYJH-CQSZACIVSA-N 2 1 275.783 2.373 20 0 CEADMP CC1CC(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000622017529 349771863 /nfs/dbraw/zinc/77/18/63/349771863.db2.gz VFXPNPWMZPOGHA-BDVYOWHSSA-N 2 1 276.424 2.115 20 0 CEADMP CC1CC(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000622017529 349771866 /nfs/dbraw/zinc/77/18/66/349771866.db2.gz VFXPNPWMZPOGHA-BDVYOWHSSA-N 2 1 276.424 2.115 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCC[NH+]1CCCC1(C)C ZINC000622097312 349788807 /nfs/dbraw/zinc/78/88/07/349788807.db2.gz UZIRBWVVDFQVBH-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000622097312 349788811 /nfs/dbraw/zinc/78/88/11/349788811.db2.gz UZIRBWVVDFQVBH-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)NCC[N@H+]1CCCC1(C)C ZINC000622097312 349788815 /nfs/dbraw/zinc/78/88/15/349788815.db2.gz UZIRBWVVDFQVBH-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[C@@H](C)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785231 539271987 /nfs/dbraw/zinc/27/19/87/539271987.db2.gz OQSHOCMOYIGXRX-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668820670 539278349 /nfs/dbraw/zinc/27/83/49/539278349.db2.gz XHXDDZSSAGKJFR-BPLDGKMQSA-N 2 1 268.470 2.450 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN(C)C)cc1 ZINC000273160220 192061056 /nfs/dbraw/zinc/06/10/56/192061056.db2.gz ZEYCKCSEYKZAPM-ZDUSSCGKSA-N 2 1 272.396 2.393 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000234897930 539297424 /nfs/dbraw/zinc/29/74/24/539297424.db2.gz VECYZEFAVKYJFN-UKRRQHHQSA-N 2 1 252.402 2.160 20 0 CEADMP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000043532935 362146877 /nfs/dbraw/zinc/14/68/77/362146877.db2.gz XMZVJFQUGBGVPS-AWEZNQCLSA-N 2 1 283.379 2.054 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000235415248 539298639 /nfs/dbraw/zinc/29/86/39/539298639.db2.gz LVLAPUSIYQRMEY-BBRMVZONSA-N 2 1 260.381 2.223 20 0 CEADMP CCc1[nH+]ccn1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000567810366 299093909 /nfs/dbraw/zinc/09/39/09/299093909.db2.gz VMSADUMOQVWDGH-CYBMUJFWSA-N 2 1 259.353 2.197 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000449495693 282258281 /nfs/dbraw/zinc/25/82/81/282258281.db2.gz OXVGOMUDTQVACA-GFCCVEGCSA-N 2 1 276.371 2.122 20 0 CEADMP CCOC(=O)[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000126762346 187261025 /nfs/dbraw/zinc/26/10/25/187261025.db2.gz BAUSYVXUNKATJR-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000126762346 187261026 /nfs/dbraw/zinc/26/10/26/187261026.db2.gz BAUSYVXUNKATJR-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000126762346 187261028 /nfs/dbraw/zinc/26/10/28/187261028.db2.gz BAUSYVXUNKATJR-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@H](C[NH3+])CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000336656265 365752232 /nfs/dbraw/zinc/75/22/32/365752232.db2.gz LXVPFIFZZZKHSG-VDHUWJSZSA-N 2 1 287.451 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000336656265 365752239 /nfs/dbraw/zinc/75/22/39/365752239.db2.gz LXVPFIFZZZKHSG-VDHUWJSZSA-N 3 1 287.451 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000336656265 365752244 /nfs/dbraw/zinc/75/22/44/365752244.db2.gz LXVPFIFZZZKHSG-VDHUWJSZSA-N 3 1 287.451 2.081 20 0 CEADMP OC1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000336702761 365768021 /nfs/dbraw/zinc/76/80/21/365768021.db2.gz FKDUVECTSZSMHW-WWDZGPRUSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H]1C[C@H](NCC2([NH+](C)C)CCCCC2)C[N@H+]1C1CC1 ZINC000128450867 365790384 /nfs/dbraw/zinc/79/03/84/365790384.db2.gz YGZVFBFKQYWZKT-GJZGRUSLSA-N 2 1 279.472 2.466 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C(C)C ZINC000342094242 534948129 /nfs/dbraw/zinc/94/81/29/534948129.db2.gz FEYRWRXOCGFLII-QXSJWSMHSA-N 2 1 295.471 2.080 20 0 CEADMP COc1cccc(CCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000351486447 219102745 /nfs/dbraw/zinc/10/27/45/219102745.db2.gz ARXTUFZQMHRCAN-XIRDDKMYSA-N 2 1 274.408 2.297 20 0 CEADMP c1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000128013684 187346457 /nfs/dbraw/zinc/34/64/57/187346457.db2.gz BHPCRPKIEPQFJY-LSDHHAIUSA-N 2 1 260.381 2.282 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000067507188 343738009 /nfs/dbraw/zinc/73/80/09/343738009.db2.gz YEFWNGCXGRVEEO-INIZCTEOSA-N 2 1 299.422 2.087 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000073225079 343825174 /nfs/dbraw/zinc/82/51/74/343825174.db2.gz PGESUWGFKAIJNF-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000075713663 343863714 /nfs/dbraw/zinc/86/37/14/343863714.db2.gz JJRUKWWYQRBJST-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000049553353 362371102 /nfs/dbraw/zinc/37/11/02/362371102.db2.gz USEVTPLHGOVKBQ-STQMWFEESA-N 2 1 298.452 2.081 20 0 CEADMP Cc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000105476978 344256837 /nfs/dbraw/zinc/25/68/37/344256837.db2.gz HDRCWTMPURNXEN-UHFFFAOYSA-N 2 1 275.440 2.112 20 0 CEADMP Fc1cc2cccnc2c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000107580229 344260963 /nfs/dbraw/zinc/26/09/63/344260963.db2.gz UNKZPFLMQGTIOR-ZIAGYGMSSA-N 2 1 271.339 2.025 20 0 CEADMP C[N@@H+](C1CCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360621414 282336558 /nfs/dbraw/zinc/33/65/58/282336558.db2.gz OZKXOZJJANUDKB-INIZCTEOSA-N 2 1 265.445 2.029 20 0 CEADMP COc1cc(C[N@@H+](C)CCC[NH3+])ccc1OC(F)F ZINC000133802609 344370816 /nfs/dbraw/zinc/37/08/16/344370816.db2.gz ISEUGMJKIVZPTI-UHFFFAOYSA-N 2 1 274.311 2.077 20 0 CEADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000351595004 219139870 /nfs/dbraw/zinc/13/98/70/219139870.db2.gz PWLDGECXWWFPDS-SOUVJXGZSA-N 2 1 286.485 2.095 20 0 CEADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351595004 219139872 /nfs/dbraw/zinc/13/98/72/219139872.db2.gz PWLDGECXWWFPDS-SOUVJXGZSA-N 2 1 286.485 2.095 20 0 CEADMP COC[C@@H](C)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230005182 344569543 /nfs/dbraw/zinc/56/95/43/344569543.db2.gz ZLTVMTWESMZWCH-AWEZNQCLSA-N 2 1 250.386 2.120 20 0 CEADMP CCc1noc(C)c1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000333852747 539401064 /nfs/dbraw/zinc/40/10/64/539401064.db2.gz QIEHUZGSRLFTRB-IINYFYTJSA-N 2 1 251.374 2.023 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC000312001303 344737050 /nfs/dbraw/zinc/73/70/50/344737050.db2.gz UQLTVYNUPAXTIO-OAHLLOKOSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC000312001303 344737052 /nfs/dbraw/zinc/73/70/52/344737052.db2.gz UQLTVYNUPAXTIO-OAHLLOKOSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H](CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000312923862 344740565 /nfs/dbraw/zinc/74/05/65/344740565.db2.gz MVQMOPKBWHQBEF-WMLDXEAASA-N 2 1 276.424 2.225 20 0 CEADMP C[C@@H](CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000312923862 344740566 /nfs/dbraw/zinc/74/05/66/344740566.db2.gz MVQMOPKBWHQBEF-WMLDXEAASA-N 2 1 276.424 2.225 20 0 CEADMP c1cn2c([nH+]1)C[C@@H](C[NH2+][C@@H]1CCCSCC1)CC2 ZINC000668068674 539408029 /nfs/dbraw/zinc/40/80/29/539408029.db2.gz TVSLJHQSCNIHRZ-QWHCGFSZSA-N 2 1 265.426 2.321 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000568051326 299113769 /nfs/dbraw/zinc/11/37/69/299113769.db2.gz CRGCPDDFUAIERE-KRWDZBQOSA-N 2 1 276.424 2.449 20 0 CEADMP Cc1cn2c(C[NH2+]CCc3c[nH+]cn3C)c(C)nc2s1 ZINC000401760471 344869711 /nfs/dbraw/zinc/86/97/11/344869711.db2.gz BPSVREDUHLEGEP-UHFFFAOYSA-N 2 1 289.408 2.078 20 0 CEADMP CC[N@@H+](C[C@@H]1CCCC[C@H]1O)[C@@H]1CCC[NH2+]CC1 ZINC000568051451 299114063 /nfs/dbraw/zinc/11/40/63/299114063.db2.gz MQWVEOFKWAPCJO-RRFJBIMHSA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)C(=O)NC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351615623 219148716 /nfs/dbraw/zinc/14/87/16/219148716.db2.gz NTAOYOPNCFVBGT-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+](C)C[C@H](O)CN(C)[C@@H](C)Cc1ccccc1C ZINC000584789012 344987466 /nfs/dbraw/zinc/98/74/66/344987466.db2.gz UDUPXWIMZNMHMZ-RDJZCZTQSA-N 2 1 278.440 2.170 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN(C)[C@@H](C)Cc1ccccc1C ZINC000584789012 344987471 /nfs/dbraw/zinc/98/74/71/344987471.db2.gz UDUPXWIMZNMHMZ-RDJZCZTQSA-N 2 1 278.440 2.170 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)Cc1ccccc1C ZINC000584789012 344987473 /nfs/dbraw/zinc/98/74/73/344987473.db2.gz UDUPXWIMZNMHMZ-RDJZCZTQSA-N 2 1 278.440 2.170 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)Cc1ccccc1C ZINC000584789012 344987478 /nfs/dbraw/zinc/98/74/78/344987478.db2.gz UDUPXWIMZNMHMZ-RDJZCZTQSA-N 2 1 278.440 2.170 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000584789012 344987482 /nfs/dbraw/zinc/98/74/82/344987482.db2.gz UDUPXWIMZNMHMZ-RDJZCZTQSA-N 2 1 278.440 2.170 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000584789012 344987484 /nfs/dbraw/zinc/98/74/84/344987484.db2.gz UDUPXWIMZNMHMZ-RDJZCZTQSA-N 2 1 278.440 2.170 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2ccc3cccnc3c2)CC1 ZINC000589843485 345101604 /nfs/dbraw/zinc/10/16/04/345101604.db2.gz SMIZWVBVZGTCCH-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000591095345 345220431 /nfs/dbraw/zinc/22/04/31/345220431.db2.gz KOGCRRZWYUDBLI-OAHLLOKOSA-N 2 1 289.423 2.419 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nccs1 ZINC000591700518 345274389 /nfs/dbraw/zinc/27/43/89/345274389.db2.gz HVGUNPKRBKUYAO-JTQLQIEISA-N 2 1 250.371 2.074 20 0 CEADMP CC(C)SCC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000591767151 345278874 /nfs/dbraw/zinc/27/88/74/345278874.db2.gz KQQMJYDLSLLYAJ-MRXNPFEDSA-N 2 1 296.480 2.211 20 0 CEADMP CC(C)SCC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000591767151 345278878 /nfs/dbraw/zinc/27/88/78/345278878.db2.gz KQQMJYDLSLLYAJ-MRXNPFEDSA-N 2 1 296.480 2.211 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591867708 345289569 /nfs/dbraw/zinc/28/95/69/345289569.db2.gz RVEICPAWOWRJNA-KBPBESRZSA-N 2 1 292.427 2.213 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@H](n2ccnc2)C1 ZINC000591867708 345289572 /nfs/dbraw/zinc/28/95/72/345289572.db2.gz RVEICPAWOWRJNA-KBPBESRZSA-N 2 1 292.427 2.213 20 0 CEADMP C[NH2+]C1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000229247503 539459502 /nfs/dbraw/zinc/45/95/02/539459502.db2.gz JHJLESFWTITFLZ-AWEZNQCLSA-N 2 1 252.402 2.162 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(CCCC2)O1)C1CC[NH2+]CC1 ZINC000229366554 539466375 /nfs/dbraw/zinc/46/63/75/539466375.db2.gz JQVPSQUMJFFUAL-CQSZACIVSA-N 2 1 252.402 2.162 20 0 CEADMP Cc1ncccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604512 232184326 /nfs/dbraw/zinc/18/43/26/232184326.db2.gz XURIVHRDZQKJIU-HNNXBMFYSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ncccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604512 232184331 /nfs/dbraw/zinc/18/43/31/232184331.db2.gz XURIVHRDZQKJIU-HNNXBMFYSA-N 2 1 259.397 2.308 20 0 CEADMP CC(C)OC(=O)C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000594046052 345572780 /nfs/dbraw/zinc/57/27/80/345572780.db2.gz NZQOGJAESRVOHF-GJZGRUSLSA-N 2 1 284.444 2.427 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnc(C2CC2)s1 ZINC000623086235 349933850 /nfs/dbraw/zinc/93/38/50/349933850.db2.gz DIYSQOSHTLAMDS-UHFFFAOYSA-N 2 1 262.382 2.086 20 0 CEADMP COc1ccc(C[NH2+]CCc2c[nH+]cn2C)c(Cl)c1 ZINC000623086762 349933879 /nfs/dbraw/zinc/93/38/79/349933879.db2.gz ITQOXWROFJLACU-UHFFFAOYSA-N 2 1 279.771 2.414 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000594927193 345704938 /nfs/dbraw/zinc/70/49/38/345704938.db2.gz ZDPYBIQWWAHRHR-CAOSSQGBSA-N 2 1 296.455 2.286 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC3CC=CC3)C2)CC1 ZINC000595337787 345763657 /nfs/dbraw/zinc/76/36/57/345763657.db2.gz KVCYKSQYHKHBNM-QGZVFWFLSA-N 2 1 277.456 2.053 20 0 CEADMP CC[C@H](C)[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128254974 187360009 /nfs/dbraw/zinc/36/00/09/187360009.db2.gz GULLMXQMQYFVJD-GJZGRUSLSA-N 2 1 255.450 2.038 20 0 CEADMP C([C@H]1CCCO1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000334783116 539494542 /nfs/dbraw/zinc/49/45/42/539494542.db2.gz QNUYEFDJMUPGAZ-HUUCEWRRSA-N 2 1 252.402 2.116 20 0 CEADMP CC(C)[NH+](CCCCC[N@H+](C(C)C)C1COC1)C1COC1 ZINC000451121436 539517638 /nfs/dbraw/zinc/51/76/38/539517638.db2.gz RJBRCKCEBUFTOR-UHFFFAOYSA-N 2 1 298.471 2.375 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc([S@](C)=O)cc2)CC1(C)C ZINC000598964980 346439421 /nfs/dbraw/zinc/43/94/21/346439421.db2.gz IWFKXQQOPWEDMQ-VLIAUNLRSA-N 2 1 294.464 2.386 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc([S@](C)=O)cc2)CC1(C)C ZINC000598964980 346439426 /nfs/dbraw/zinc/43/94/26/346439426.db2.gz IWFKXQQOPWEDMQ-VLIAUNLRSA-N 2 1 294.464 2.386 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000336793570 365815012 /nfs/dbraw/zinc/81/50/12/365815012.db2.gz XHTVIGDIZJGIBZ-GFCCVEGCSA-N 2 1 251.374 2.127 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000336793571 365815141 /nfs/dbraw/zinc/81/51/41/365815141.db2.gz XHTVIGDIZJGIBZ-LBPRGKRZSA-N 2 1 251.374 2.127 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085675096 179111666 /nfs/dbraw/zinc/11/16/66/179111666.db2.gz YWSASQBWGXZFNO-ZNMIVQPWSA-N 2 1 266.429 2.264 20 0 CEADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600143704 346604716 /nfs/dbraw/zinc/60/47/16/346604716.db2.gz FSDSKJHYAJBDBL-AGIUHOORSA-N 2 1 270.417 2.037 20 0 CEADMP COC(=O)CCCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000600710050 346675212 /nfs/dbraw/zinc/67/52/12/346675212.db2.gz NPKDVLMPXPZNGB-HNNXBMFYSA-N 2 1 282.428 2.041 20 0 CEADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000129201255 365835320 /nfs/dbraw/zinc/83/53/20/365835320.db2.gz DTDSTOGYCVYBEI-KRWDZBQOSA-N 2 1 288.435 2.458 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC2(C1)CCCCC2)C1CC1 ZINC000336809122 365845342 /nfs/dbraw/zinc/84/53/42/365845342.db2.gz DQFJQJFMFGJEIQ-OAHLLOKOSA-N 2 1 266.429 2.098 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC2(C1)CCCCC2)C1CC1 ZINC000336809122 365845348 /nfs/dbraw/zinc/84/53/48/365845348.db2.gz DQFJQJFMFGJEIQ-OAHLLOKOSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC2(C1)CCCCC2)C1CC1 ZINC000336809122 365845353 /nfs/dbraw/zinc/84/53/53/365845353.db2.gz DQFJQJFMFGJEIQ-OAHLLOKOSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC2(C1)CCCCC2)C1CC1 ZINC000336809122 365845357 /nfs/dbraw/zinc/84/53/57/365845357.db2.gz DQFJQJFMFGJEIQ-OAHLLOKOSA-N 2 1 266.429 2.098 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000129479418 365863044 /nfs/dbraw/zinc/86/30/44/365863044.db2.gz BWOOAYZASLYNJY-UKRRQHHQSA-N 2 1 262.397 2.310 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000602655911 347126758 /nfs/dbraw/zinc/12/67/58/347126758.db2.gz HYKYAUIPPIOALV-VQCLRJIVSA-N 2 1 282.428 2.038 20 0 CEADMP CCCC[C@H](C(=O)OC)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876078 347235116 /nfs/dbraw/zinc/23/51/16/347235116.db2.gz DCJUHDBYFFGFIZ-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC3(CCC3)C2)CCCO1 ZINC000459503604 290166047 /nfs/dbraw/zinc/16/60/47/290166047.db2.gz HXTQVMMKGYBDRM-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC3(CCC3)C2)CCCO1 ZINC000459503604 290166049 /nfs/dbraw/zinc/16/60/49/290166049.db2.gz HXTQVMMKGYBDRM-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2O)C[C@@H]1c1ccccc1 ZINC000453418362 539562129 /nfs/dbraw/zinc/56/21/29/539562129.db2.gz WKCTXXXLNLZSBU-QBPKDAKJSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccncc2)C1 ZINC000336823590 365878595 /nfs/dbraw/zinc/87/85/95/365878595.db2.gz QHKFBCQAYFIMTJ-GOEBONIOSA-N 2 1 275.396 2.019 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccncc2)C1 ZINC000336823590 365878599 /nfs/dbraw/zinc/87/85/99/365878599.db2.gz QHKFBCQAYFIMTJ-GOEBONIOSA-N 2 1 275.396 2.019 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2O)C[C@@H]1c1ccccc1 ZINC000453418362 539562134 /nfs/dbraw/zinc/56/21/34/539562134.db2.gz WKCTXXXLNLZSBU-QBPKDAKJSA-N 2 1 274.408 2.325 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000336823590 365878601 /nfs/dbraw/zinc/87/86/01/365878601.db2.gz QHKFBCQAYFIMTJ-GOEBONIOSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000336823590 365878603 /nfs/dbraw/zinc/87/86/03/365878603.db2.gz QHKFBCQAYFIMTJ-GOEBONIOSA-N 2 1 275.396 2.019 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1cccc(C)n1 ZINC000568506442 299140244 /nfs/dbraw/zinc/14/02/44/299140244.db2.gz YLIZPYGBZQAWSE-UHFFFAOYSA-N 2 1 272.396 2.460 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1cccc(C)n1 ZINC000568506442 299140246 /nfs/dbraw/zinc/14/02/46/299140246.db2.gz YLIZPYGBZQAWSE-UHFFFAOYSA-N 2 1 272.396 2.460 20 0 CEADMP CC[NH+](CCC[N@H+](CC)C[C@H]1CCOC1)C[C@H]1CCOC1 ZINC000607152803 347510753 /nfs/dbraw/zinc/51/07/53/347510753.db2.gz TWOOYDOXQMTYOW-IAGOWNOFSA-N 2 1 298.471 2.093 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000129674683 365886002 /nfs/dbraw/zinc/88/60/02/365886002.db2.gz SQSMJTFERVECPJ-OIISXLGYSA-N 2 1 275.440 2.362 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000336831857 365897254 /nfs/dbraw/zinc/89/72/54/365897254.db2.gz RPSHGXNBXHSDJG-AWEZNQCLSA-N 2 1 279.428 2.082 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@H+](C)C[C@H]2C(C)C)c1C ZINC000336840511 365912432 /nfs/dbraw/zinc/91/24/32/365912432.db2.gz MLGYGGJFVCKHEN-INIZCTEOSA-N 2 1 291.439 2.479 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)C[C@H]2C(C)C)c1C ZINC000336840511 365912434 /nfs/dbraw/zinc/91/24/34/365912434.db2.gz MLGYGGJFVCKHEN-INIZCTEOSA-N 2 1 291.439 2.479 20 0 CEADMP C[C@@H]1C[C@@H](NCCC[NH+]2CCCCC2)C[N@H+]1C1CC1 ZINC000128624517 187380542 /nfs/dbraw/zinc/38/05/42/187380542.db2.gz RLOWRELSFAMKHO-HUUCEWRRSA-N 2 1 265.445 2.077 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)o1 ZINC000128640685 187381351 /nfs/dbraw/zinc/38/13/51/187381351.db2.gz OVRLPQZCSHNPDR-HNNXBMFYSA-N 2 1 279.428 2.266 20 0 CEADMP COc1ccsc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334391515 539591178 /nfs/dbraw/zinc/59/11/78/539591178.db2.gz VNUKCEXMLNCVNN-CQSZACIVSA-N 2 1 266.410 2.332 20 0 CEADMP COc1ccsc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334391515 539591182 /nfs/dbraw/zinc/59/11/82/539591182.db2.gz VNUKCEXMLNCVNN-CQSZACIVSA-N 2 1 266.410 2.332 20 0 CEADMP COc1cccc(C[N@@H+](C)CCCn2ccnc2)c1 ZINC000130391954 365951768 /nfs/dbraw/zinc/95/17/68/365951768.db2.gz MYYWWNOGFLNSOJ-UHFFFAOYSA-N 2 1 259.353 2.414 20 0 CEADMP CC[C@@H]1CCC[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000532481346 313349233 /nfs/dbraw/zinc/34/92/33/313349233.db2.gz AVQGKHNCJJKLNG-IAGOWNOFSA-N 2 1 281.488 2.428 20 0 CEADMP COc1c(C)c[nH+]c(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c1C ZINC000351960702 219267194 /nfs/dbraw/zinc/26/71/94/219267194.db2.gz VWRSORSXQATDTJ-QWHCGFSZSA-N 2 1 277.412 2.231 20 0 CEADMP COc1c(C)c[nH+]c(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)c1C ZINC000351960702 219267195 /nfs/dbraw/zinc/26/71/95/219267195.db2.gz VWRSORSXQATDTJ-QWHCGFSZSA-N 2 1 277.412 2.231 20 0 CEADMP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)[NH+](CC)CC ZINC000615616490 348361600 /nfs/dbraw/zinc/36/16/00/348361600.db2.gz JXDSAYHLUCLATK-DOTOQJQBSA-N 2 1 295.471 2.051 20 0 CEADMP CCn1ccnc1[C@@H](C)NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000456350452 539631643 /nfs/dbraw/zinc/63/16/43/539631643.db2.gz KAEWWTXBSPVKRG-UONOGXRCSA-N 2 1 292.427 2.345 20 0 CEADMP CCC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1cccnc1 ZINC000273376989 192131705 /nfs/dbraw/zinc/13/17/05/192131705.db2.gz HJRFXUJNAQIAPN-INIZCTEOSA-N 2 1 279.428 2.481 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623357823 349997767 /nfs/dbraw/zinc/99/77/67/349997767.db2.gz BMHDISQODHUSHE-HUUCEWRRSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623357823 349997769 /nfs/dbraw/zinc/99/77/69/349997769.db2.gz BMHDISQODHUSHE-HUUCEWRRSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623357823 349997771 /nfs/dbraw/zinc/99/77/71/349997771.db2.gz BMHDISQODHUSHE-HUUCEWRRSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623357821 349997859 /nfs/dbraw/zinc/99/78/59/349997859.db2.gz BMHDISQODHUSHE-CABCVRRESA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623357821 349997860 /nfs/dbraw/zinc/99/78/60/349997860.db2.gz BMHDISQODHUSHE-CABCVRRESA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623357821 349997861 /nfs/dbraw/zinc/99/78/61/349997861.db2.gz BMHDISQODHUSHE-CABCVRRESA-N 2 1 267.461 2.323 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000339070208 539658880 /nfs/dbraw/zinc/65/88/80/539658880.db2.gz ZLQYDBZQWAFAPP-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000339070208 539658886 /nfs/dbraw/zinc/65/88/86/539658886.db2.gz ZLQYDBZQWAFAPP-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000339070208 539658890 /nfs/dbraw/zinc/65/88/90/539658890.db2.gz ZLQYDBZQWAFAPP-QBPKDAKJSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](CNC(=O)CC[N@H+]1CCCC[C@H]1C)C[NH+]1CCCC1 ZINC000339262795 539680761 /nfs/dbraw/zinc/68/07/61/539680761.db2.gz JFTYDCLMGRNUAZ-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000088870053 539686182 /nfs/dbraw/zinc/68/61/82/539686182.db2.gz GTYPPPXUGNCNTL-STQMWFEESA-N 2 1 265.426 2.416 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000088870053 539686185 /nfs/dbraw/zinc/68/61/85/539686185.db2.gz GTYPPPXUGNCNTL-STQMWFEESA-N 2 1 265.426 2.416 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000088870054 539686376 /nfs/dbraw/zinc/68/63/76/539686376.db2.gz GTYPPPXUGNCNTL-OLZOCXBDSA-N 2 1 265.426 2.416 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000088870054 539686379 /nfs/dbraw/zinc/68/63/79/539686379.db2.gz GTYPPPXUGNCNTL-OLZOCXBDSA-N 2 1 265.426 2.416 20 0 CEADMP CN(C)C(=O)C1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCCC1 ZINC000623417576 350014857 /nfs/dbraw/zinc/01/48/57/350014857.db2.gz DRQSMCPHQKYOGM-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623420584 350015595 /nfs/dbraw/zinc/01/55/95/350015595.db2.gz HSJZQDCPVMMRKG-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1(C)C ZINC000623429253 350018634 /nfs/dbraw/zinc/01/86/34/350018634.db2.gz UVUNJPHVUXRDMB-DGAVXFQQSA-N 2 1 266.429 2.262 20 0 CEADMP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623429818 350018682 /nfs/dbraw/zinc/01/86/82/350018682.db2.gz RFCXLHXIIKFDKJ-STQMWFEESA-N 2 1 256.434 2.246 20 0 CEADMP Cc1ccccc1[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623438258 350020419 /nfs/dbraw/zinc/02/04/19/350020419.db2.gz SICHJNZJNPHWLF-GOEBONIOSA-N 2 1 276.424 2.491 20 0 CEADMP Cc1ccccc1[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623438258 350020422 /nfs/dbraw/zinc/02/04/22/350020422.db2.gz SICHJNZJNPHWLF-GOEBONIOSA-N 2 1 276.424 2.491 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccccn2)CC1(C)C ZINC000623467549 350027065 /nfs/dbraw/zinc/02/70/65/350027065.db2.gz NRZARSINFUEKDJ-HNNXBMFYSA-N 2 1 261.413 2.477 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000623657084 350075593 /nfs/dbraw/zinc/07/55/93/350075593.db2.gz JIYRTXCYSFQSMS-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000623657084 350075597 /nfs/dbraw/zinc/07/55/97/350075597.db2.gz JIYRTXCYSFQSMS-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP C[N@H+]1CCCC[C@H](CNCc2cnn(C(C)(C)C)c2)C1 ZINC000623656333 350075675 /nfs/dbraw/zinc/07/56/75/350075675.db2.gz SBSTYIFIRHLAHF-CQSZACIVSA-N 2 1 278.444 2.460 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000623656333 350075679 /nfs/dbraw/zinc/07/56/79/350075679.db2.gz SBSTYIFIRHLAHF-CQSZACIVSA-N 2 1 278.444 2.460 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000623656333 350075682 /nfs/dbraw/zinc/07/56/82/350075682.db2.gz SBSTYIFIRHLAHF-CQSZACIVSA-N 2 1 278.444 2.460 20 0 CEADMP Cc1noc(C)c1CNC[C@H]1CCCC[N@H+](C)C1 ZINC000623656261 350075746 /nfs/dbraw/zinc/07/57/46/350075746.db2.gz QLPDUXJZBQWLQT-CYBMUJFWSA-N 2 1 251.374 2.113 20 0 CEADMP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623503813 350036338 /nfs/dbraw/zinc/03/63/38/350036338.db2.gz PHVBWYKAVREPHF-DLBZAZTESA-N 2 1 290.451 2.361 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623510268 350038107 /nfs/dbraw/zinc/03/81/07/350038107.db2.gz PLEJPXKJNSIYBM-CQSZACIVSA-N 2 1 290.411 2.002 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623510268 350038108 /nfs/dbraw/zinc/03/81/08/350038108.db2.gz PLEJPXKJNSIYBM-CQSZACIVSA-N 2 1 290.411 2.002 20 0 CEADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)nc1 ZINC000623544882 350046915 /nfs/dbraw/zinc/04/69/15/350046915.db2.gz PLFHCHOQQNZZBR-HNNXBMFYSA-N 2 1 261.413 2.395 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](C(C)(C)C)C2)CC1(C)C ZINC000623562993 350052283 /nfs/dbraw/zinc/05/22/83/350052283.db2.gz KOFLQKOIKHTAAM-KBPBESRZSA-N 2 1 267.461 2.322 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC000623562993 350052285 /nfs/dbraw/zinc/05/22/85/350052285.db2.gz KOFLQKOIKHTAAM-KBPBESRZSA-N 2 1 267.461 2.322 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000623562993 350052288 /nfs/dbraw/zinc/05/22/88/350052288.db2.gz KOFLQKOIKHTAAM-KBPBESRZSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)CC[N@H+]1C ZINC000090721382 180031260 /nfs/dbraw/zinc/03/12/60/180031260.db2.gz YERPTKRQGHUKFM-GOEBONIOSA-N 2 1 284.407 2.445 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1 ZINC000090720861 180031486 /nfs/dbraw/zinc/03/14/86/180031486.db2.gz CQLWSVPPHMESMC-JSGCOSHPSA-N 2 1 278.396 2.276 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1 ZINC000090720861 180031488 /nfs/dbraw/zinc/03/14/88/180031488.db2.gz CQLWSVPPHMESMC-JSGCOSHPSA-N 2 1 278.396 2.276 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCCO2)CC1 ZINC000623903066 350138850 /nfs/dbraw/zinc/13/88/50/350138850.db2.gz YIQTTZWONYFZPM-RDJZCZTQSA-N 2 1 298.471 2.423 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)CC[N@H+]1C ZINC000624054702 350180801 /nfs/dbraw/zinc/18/08/01/350180801.db2.gz LIPYEVIAEKMQNZ-JQFCIGGWSA-N 2 1 274.408 2.200 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C)n1 ZINC000624121198 350198981 /nfs/dbraw/zinc/19/89/81/350198981.db2.gz PYGADUXFTGHIMB-IUODEOHRSA-N 2 1 276.428 2.476 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)n1 ZINC000624121198 350198984 /nfs/dbraw/zinc/19/89/84/350198984.db2.gz PYGADUXFTGHIMB-IUODEOHRSA-N 2 1 276.428 2.476 20 0 CEADMP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CO2 ZINC000624072224 350185394 /nfs/dbraw/zinc/18/53/94/350185394.db2.gz XWWQDFXKDUXBOJ-ZNMIVQPWSA-N 2 1 274.408 2.371 20 0 CEADMP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CO2 ZINC000624072224 350185398 /nfs/dbraw/zinc/18/53/98/350185398.db2.gz XWWQDFXKDUXBOJ-ZNMIVQPWSA-N 2 1 274.408 2.371 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624123977 350201675 /nfs/dbraw/zinc/20/16/75/350201675.db2.gz VEKJPCWQASVDBR-DZGCQCFKSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123977 350201676 /nfs/dbraw/zinc/20/16/76/350201676.db2.gz VEKJPCWQASVDBR-DZGCQCFKSA-N 2 1 276.428 2.119 20 0 CEADMP COC1([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)CCC1 ZINC000624124167 350201744 /nfs/dbraw/zinc/20/17/44/350201744.db2.gz YUIKQKJLEQDHHA-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000122073339 539774462 /nfs/dbraw/zinc/77/44/62/539774462.db2.gz PTIDFVUFFGNCHR-KKUMJFAQSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000122073339 539774465 /nfs/dbraw/zinc/77/44/65/539774465.db2.gz PTIDFVUFFGNCHR-KKUMJFAQSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000192551542 539772397 /nfs/dbraw/zinc/77/23/97/539772397.db2.gz HURCKOTWQMBEDA-KKUMJFAQSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1ncc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000105443122 186056426 /nfs/dbraw/zinc/05/64/26/186056426.db2.gz YSPJBLVSWKWFMF-JTQLQIEISA-N 2 1 264.398 2.382 20 0 CEADMP CC[NH+](CC)CCN(CC(C)C)C(=O)Cn1c[nH+]cc1C ZINC000624421161 350282979 /nfs/dbraw/zinc/28/29/79/350282979.db2.gz UYISATDCQCWJBP-UHFFFAOYSA-N 2 1 294.443 2.018 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+](C)C2CCC([NH3+])CC2)cc1F ZINC000091846712 180270530 /nfs/dbraw/zinc/27/05/30/180270530.db2.gz JUCGVVPKMMTPST-UHFFFAOYSA-N 2 1 293.386 2.274 20 0 CEADMP CCc1c(C)[nH+]c2ccccc2c1NCC[N@H+]1CC[C@H](O)C1 ZINC000624774012 350358730 /nfs/dbraw/zinc/35/87/30/350358730.db2.gz MLUYZERLTWJOQB-AWEZNQCLSA-N 2 1 299.418 2.006 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000352178073 219346477 /nfs/dbraw/zinc/34/64/77/219346477.db2.gz JKABJPKDBYRYLW-CABCVRRESA-N 2 1 283.460 2.001 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000130623965 365975201 /nfs/dbraw/zinc/97/52/01/365975201.db2.gz ZZPLRNWQXYDBGV-BMFZPTHFSA-N 2 1 262.397 2.101 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000193950468 282712442 /nfs/dbraw/zinc/71/24/42/282712442.db2.gz AKXDICIQMAKFBV-RBSFLKMASA-N 2 1 264.413 2.018 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000568977397 299171426 /nfs/dbraw/zinc/17/14/26/299171426.db2.gz YDZYXPWSVXTIND-YJBOKZPZSA-N 2 1 288.435 2.220 20 0 CEADMP Cc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(C)c1 ZINC000130992732 366011580 /nfs/dbraw/zinc/01/15/80/366011580.db2.gz ZWVLFDPOCVPJIJ-UHFFFAOYSA-N 2 1 289.467 2.373 20 0 CEADMP CC[C@H]([NH2+][C@@H]1COc2cccc(C)c2C1)[C@@H]1CCC[NH2+]1 ZINC000629515655 351385275 /nfs/dbraw/zinc/38/52/75/351385275.db2.gz VQRJVWBCHUWGRR-BPUTZDHNSA-N 2 1 274.408 2.419 20 0 CEADMP [NH3+]C1(C[NH2+][C@H]2CCCc3sccc32)CCOCC1 ZINC000629521357 351387235 /nfs/dbraw/zinc/38/72/35/351387235.db2.gz NFFJOXJITOVNOC-LBPRGKRZSA-N 2 1 266.410 2.223 20 0 CEADMP [NH3+]C1(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CCOCC1 ZINC000629522432 351388525 /nfs/dbraw/zinc/38/85/25/351388525.db2.gz ZWAXLTSASCOGLL-CQSZACIVSA-N 2 1 280.799 2.425 20 0 CEADMP CCC[C@@H](C)CCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000629535063 351397959 /nfs/dbraw/zinc/39/79/59/351397959.db2.gz DNSHADYKKIEBMV-CVEARBPZSA-N 2 1 267.461 2.182 20 0 CEADMP CCO[C@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000629536410 351399776 /nfs/dbraw/zinc/39/97/76/351399776.db2.gz JZBJCDFVZMVYBW-LSDHHAIUSA-N 2 1 254.418 2.299 20 0 CEADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000629594631 351426946 /nfs/dbraw/zinc/42/69/46/351426946.db2.gz FWSHUXLLZWAMPF-ZHAXYTGKSA-N 2 1 264.413 2.186 20 0 CEADMP COCc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000629652946 351451360 /nfs/dbraw/zinc/45/13/60/351451360.db2.gz FYBZXOSJMKIYMK-UONOGXRCSA-N 2 1 278.396 2.248 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)C[NH2+]1 ZINC000629659474 351454636 /nfs/dbraw/zinc/45/46/36/351454636.db2.gz ANBXCPPSQOAYGK-CZUORRHYSA-N 2 1 274.408 2.284 20 0 CEADMP C[N@@H+](CCOCC[NH3+])[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000629667228 351458759 /nfs/dbraw/zinc/45/87/59/351458759.db2.gz VYUMQWCOTQHBFK-IAGOWNOFSA-N 2 1 276.424 2.404 20 0 CEADMP Cc1cncc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000629547730 351407338 /nfs/dbraw/zinc/40/73/38/351407338.db2.gz LNXSCGXHYHLHLJ-BBWFWOEESA-N 2 1 289.423 2.251 20 0 CEADMP CCO[C@H](C[N@H+]1CC2CCC1(C[NH3+])CC2)C1CC1 ZINC000629548133 351407559 /nfs/dbraw/zinc/40/75/59/351407559.db2.gz MHFJJBMMCHZEGL-HNFVBEJKSA-N 2 1 252.402 2.005 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1ccc(Cl)cc1F ZINC000629569061 351416879 /nfs/dbraw/zinc/41/68/79/351416879.db2.gz AEXVIXAAKQCUCB-UHFFFAOYSA-N 2 1 274.767 2.147 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000629569061 351416884 /nfs/dbraw/zinc/41/68/84/351416884.db2.gz AEXVIXAAKQCUCB-UHFFFAOYSA-N 2 1 274.767 2.147 20 0 CEADMP COCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565319 351417485 /nfs/dbraw/zinc/41/74/85/351417485.db2.gz VXPMYUPONWDNBV-RYUDHWBXSA-N 2 1 282.350 2.262 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000629571949 351418992 /nfs/dbraw/zinc/41/89/92/351418992.db2.gz UOZHOWPDSYJAGQ-LLVKDONJSA-N 2 1 272.339 2.194 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000629571949 351418996 /nfs/dbraw/zinc/41/89/96/351418996.db2.gz UOZHOWPDSYJAGQ-LLVKDONJSA-N 2 1 272.339 2.194 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Cl)c2cccnc12 ZINC000629578542 351421259 /nfs/dbraw/zinc/42/12/59/351421259.db2.gz QNAVFTLGZNKOJD-UHFFFAOYSA-N 2 1 293.798 2.295 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1cccc(C(C)(C)C)c1 ZINC000629581287 351422238 /nfs/dbraw/zinc/42/22/38/351422238.db2.gz UWTWRNXUOQZULH-UHFFFAOYSA-N 2 1 264.413 2.391 20 0 CEADMP COc1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1OC ZINC000070148493 363036441 /nfs/dbraw/zinc/03/64/41/363036441.db2.gz TYTPZPPJSRBRPJ-CQSZACIVSA-N 2 1 278.396 2.407 20 0 CEADMP COc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1OC ZINC000070148493 363036443 /nfs/dbraw/zinc/03/64/43/363036443.db2.gz TYTPZPPJSRBRPJ-CQSZACIVSA-N 2 1 278.396 2.407 20 0 CEADMP C[NH+](C)Cc1cnc(CNCC2([NH+](C)C)CCCC2)s1 ZINC000352247359 219381857 /nfs/dbraw/zinc/38/18/57/219381857.db2.gz XUXBDPGAPLSJSX-UHFFFAOYSA-N 2 1 296.484 2.169 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000131333432 366043249 /nfs/dbraw/zinc/04/32/49/366043249.db2.gz SEPJNQRLCQHDNN-CJNGLKHVSA-N 2 1 289.423 2.300 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000131333432 366043251 /nfs/dbraw/zinc/04/32/51/366043251.db2.gz SEPJNQRLCQHDNN-CJNGLKHVSA-N 2 1 289.423 2.300 20 0 CEADMP CSc1ccc(OCC[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000420324459 539822829 /nfs/dbraw/zinc/82/28/29/539822829.db2.gz CAECQSHUTDWIJA-UHFFFAOYSA-N 2 1 266.410 2.209 20 0 CEADMP [NH3+]Cc1noc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000569119517 299182647 /nfs/dbraw/zinc/18/26/47/299182647.db2.gz PDTKWUUADWSWTN-GFCCVEGCSA-N 2 1 290.342 2.047 20 0 CEADMP [NH3+]Cc1noc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000569119517 299182649 /nfs/dbraw/zinc/18/26/49/299182649.db2.gz PDTKWUUADWSWTN-GFCCVEGCSA-N 2 1 290.342 2.047 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(F)cc1F ZINC000122670444 187044862 /nfs/dbraw/zinc/04/48/62/187044862.db2.gz RUPDKWXMJNJJQU-UHFFFAOYSA-N 2 1 297.393 2.034 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000630835647 351866254 /nfs/dbraw/zinc/86/62/54/351866254.db2.gz FWCQVFIDOFLDMU-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000630835647 351866257 /nfs/dbraw/zinc/86/62/57/351866257.db2.gz FWCQVFIDOFLDMU-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000630835647 351866258 /nfs/dbraw/zinc/86/62/58/351866258.db2.gz FWCQVFIDOFLDMU-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP COc1ccc(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123812744 187109890 /nfs/dbraw/zinc/10/98/90/187109890.db2.gz QENZBWDPFQIYJN-HUUCEWRRSA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123812744 187109891 /nfs/dbraw/zinc/10/98/91/187109891.db2.gz QENZBWDPFQIYJN-HUUCEWRRSA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123812744 187109892 /nfs/dbraw/zinc/10/98/92/187109892.db2.gz QENZBWDPFQIYJN-HUUCEWRRSA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123812744 187109893 /nfs/dbraw/zinc/10/98/93/187109893.db2.gz QENZBWDPFQIYJN-HUUCEWRRSA-N 2 1 292.423 2.489 20 0 CEADMP C[N@@H+](CCC[NH2+]Cc1ccc(=O)[nH]c1)Cc1ccccc1 ZINC000631036261 351932143 /nfs/dbraw/zinc/93/21/43/351932143.db2.gz YKHVHRMJXBJRGB-UHFFFAOYSA-N 2 1 285.391 2.399 20 0 CEADMP COCCc1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000631045796 351936959 /nfs/dbraw/zinc/93/69/59/351936959.db2.gz VLVABDFMLUXFOJ-OLZOCXBDSA-N 2 1 295.452 2.048 20 0 CEADMP COCCc1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000631045796 351936960 /nfs/dbraw/zinc/93/69/60/351936960.db2.gz VLVABDFMLUXFOJ-OLZOCXBDSA-N 2 1 295.452 2.048 20 0 CEADMP CCC[NH+](CCC)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@H]1CC ZINC000630912239 351886893 /nfs/dbraw/zinc/88/68/93/351886893.db2.gz HIKKXUJUHDUJRK-CVEARBPZSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC1(C)COC1 ZINC000631197452 352011603 /nfs/dbraw/zinc/01/16/03/352011603.db2.gz ZIHKFHISKGOJKH-RDJZCZTQSA-N 2 1 288.435 2.381 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2c(c1)COCC2 ZINC000631243812 352035208 /nfs/dbraw/zinc/03/52/08/352035208.db2.gz PVRYJGOEYXGUOJ-DLBZAZTESA-N 2 1 286.419 2.476 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(OC)cc2)C1 ZINC000072857781 363171426 /nfs/dbraw/zinc/17/14/26/363171426.db2.gz YMVZWKIRNKPEJE-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(OC)cc2)C1 ZINC000072857781 363171427 /nfs/dbraw/zinc/17/14/27/363171427.db2.gz YMVZWKIRNKPEJE-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2)C1 ZINC000072857781 363171428 /nfs/dbraw/zinc/17/14/28/363171428.db2.gz YMVZWKIRNKPEJE-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(OC)cc2)C1 ZINC000072857781 363171429 /nfs/dbraw/zinc/17/14/29/363171429.db2.gz YMVZWKIRNKPEJE-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CC[NH+]1CCC([NH2+]C[C@](C)(O)c2ccc(F)cc2F)CC1 ZINC000271652587 191259732 /nfs/dbraw/zinc/25/97/32/191259732.db2.gz BNUMHLABPAQNNQ-INIZCTEOSA-N 2 1 298.377 2.246 20 0 CEADMP CS[C@@H]1CN(c2cc[nH+]cc2Cl)C[C@@H]1[NH+](C)C ZINC000271659462 191265043 /nfs/dbraw/zinc/26/50/43/191265043.db2.gz USAOPQXSBYRHCI-NWDGAFQWSA-N 2 1 271.817 2.217 20 0 CEADMP CCc1nc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000336452974 213318903 /nfs/dbraw/zinc/31/89/03/213318903.db2.gz ZCUJFWKKSJEBNN-KBPBESRZSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000336452974 213318907 /nfs/dbraw/zinc/31/89/07/213318907.db2.gz ZCUJFWKKSJEBNN-KBPBESRZSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)o1 ZINC000336452974 213318910 /nfs/dbraw/zinc/31/89/10/213318910.db2.gz ZCUJFWKKSJEBNN-KBPBESRZSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)o1 ZINC000336452974 213318913 /nfs/dbraw/zinc/31/89/13/213318913.db2.gz ZCUJFWKKSJEBNN-KBPBESRZSA-N 2 1 277.412 2.462 20 0 CEADMP C[C@@H]1CC[N@@H+](CCOCc2ccccc2)C[C@H]1C[NH3+] ZINC000309854607 539978570 /nfs/dbraw/zinc/97/85/70/539978570.db2.gz BTKUIOXWRZFKMM-GDBMZVCRSA-N 2 1 262.397 2.120 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2sc(C)nc2C)CC[C@H]1[NH3+] ZINC000251840638 539992539 /nfs/dbraw/zinc/99/25/39/539992539.db2.gz QTPBJQHLGVKYML-VXGBXAGGSA-N 2 1 253.415 2.319 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000157636989 188329807 /nfs/dbraw/zinc/32/98/07/188329807.db2.gz HROKBBDNRIINIG-MPTQWLOMSA-N 2 1 280.387 2.177 20 0 CEADMP c1ccc2c(c1)CCN2CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000292608907 198349308 /nfs/dbraw/zinc/34/93/08/198349308.db2.gz WUCDROKKJWEBNK-KRWDZBQOSA-N 2 1 299.462 2.467 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000157918631 188346980 /nfs/dbraw/zinc/34/69/80/188346980.db2.gz CHELUMFTVVCJSY-XJKCOSOUSA-N 2 1 278.371 2.076 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000157918631 188346981 /nfs/dbraw/zinc/34/69/81/188346981.db2.gz CHELUMFTVVCJSY-XJKCOSOUSA-N 2 1 278.371 2.076 20 0 CEADMP O[C@@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000157992312 188351653 /nfs/dbraw/zinc/35/16/53/188351653.db2.gz ZAPBOEVAQQLIPS-XHSDSOJGSA-N 2 1 278.371 2.076 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000292727098 198390910 /nfs/dbraw/zinc/39/09/10/198390910.db2.gz GGAWKPFMOFFFQN-COXVUDFISA-N 2 1 294.414 2.144 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000292727098 198390911 /nfs/dbraw/zinc/39/09/11/198390911.db2.gz GGAWKPFMOFFFQN-COXVUDFISA-N 2 1 294.414 2.144 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)Cc2ccc(F)cc2)CC[NH+]1C ZINC000292727098 198390913 /nfs/dbraw/zinc/39/09/13/198390913.db2.gz GGAWKPFMOFFFQN-COXVUDFISA-N 2 1 294.414 2.144 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)Cc2ccc(F)cc2)CC[NH+]1C ZINC000292727098 198390915 /nfs/dbraw/zinc/39/09/15/198390915.db2.gz GGAWKPFMOFFFQN-COXVUDFISA-N 2 1 294.414 2.144 20 0 CEADMP CCc1nc(C)cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000292746992 198397548 /nfs/dbraw/zinc/39/75/48/198397548.db2.gz JGFBTJODFIXAKC-MRXNPFEDSA-N 2 1 274.412 2.270 20 0 CEADMP C[C@@H]1CCC[C@@](C[NH2+][C@H]2CCC(=O)NC2(C)C)([NH+](C)C)C1 ZINC000494890693 291003354 /nfs/dbraw/zinc/00/33/54/291003354.db2.gz OANNPVIJOKNRMB-JKIFEVAISA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@H](C)[N@@H+](CCCCn1cc[nH+]c1C)CC(=O)OC ZINC000337227897 366090810 /nfs/dbraw/zinc/09/08/10/366090810.db2.gz GSVUZGGNKHXBBG-ZDUSSCGKSA-N 2 1 281.400 2.245 20 0 CEADMP CC[C@H](C)[N@H+](CCCCn1cc[nH+]c1C)CC(=O)OC ZINC000337227897 366090806 /nfs/dbraw/zinc/09/08/06/366090806.db2.gz GSVUZGGNKHXBBG-ZDUSSCGKSA-N 2 1 281.400 2.245 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)CC1CCCC1 ZINC000337243343 366101187 /nfs/dbraw/zinc/10/11/87/366101187.db2.gz HSOQVDCCLUKJPT-INIZCTEOSA-N 2 1 268.445 2.345 20 0 CEADMP CC(C)CC[C@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337278646 366121831 /nfs/dbraw/zinc/12/18/31/366121831.db2.gz SXWPFFUYKFWLPB-HNNXBMFYSA-N 2 1 256.434 2.201 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)Cc1ccccc1)C1CC1 ZINC000569569333 299210784 /nfs/dbraw/zinc/21/07/84/299210784.db2.gz YFTLXMARSIPTNM-KRWDZBQOSA-N 2 1 290.451 2.300 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)Cc1ccccc1)C1CC1 ZINC000569569333 299210787 /nfs/dbraw/zinc/21/07/87/299210787.db2.gz YFTLXMARSIPTNM-KRWDZBQOSA-N 2 1 290.451 2.300 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000074181183 363304965 /nfs/dbraw/zinc/30/49/65/363304965.db2.gz QWWRRAMTXYTCLJ-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(CC[NH3+])CC1 ZINC000569732153 299215300 /nfs/dbraw/zinc/21/53/00/299215300.db2.gz IQXMZHJPOZHMIV-AWEZNQCLSA-N 2 1 299.422 2.389 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ncccc2C(F)(F)F)C1 ZINC000666853060 540023319 /nfs/dbraw/zinc/02/33/19/540023319.db2.gz BGEBUSNMXKKXME-NXEZZACHSA-N 2 1 273.302 2.460 20 0 CEADMP CC[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451529639 283022689 /nfs/dbraw/zinc/02/26/89/283022689.db2.gz NPRBQRRXKDKVPN-RDJZCZTQSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451529639 283022691 /nfs/dbraw/zinc/02/26/91/283022691.db2.gz NPRBQRRXKDKVPN-RDJZCZTQSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451529639 283022694 /nfs/dbraw/zinc/02/26/94/283022694.db2.gz NPRBQRRXKDKVPN-RDJZCZTQSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451529639 283022696 /nfs/dbraw/zinc/02/26/96/283022696.db2.gz NPRBQRRXKDKVPN-RDJZCZTQSA-N 2 1 295.471 2.051 20 0 CEADMP CCO[C@H]1CC[N@@H+](CCC[NH+](CC)CC)C[C@H]1C ZINC000451544679 283027960 /nfs/dbraw/zinc/02/79/60/283027960.db2.gz QFIMTGIZXDOQOO-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC(F)(F)C[NH3+])CC1 ZINC000414932318 290412619 /nfs/dbraw/zinc/41/26/19/290412619.db2.gz RYXFDEGVOJWNGW-GXTWGEPZSA-N 2 1 289.414 2.213 20 0 CEADMP C[N@H+](Cc1ccc(Br)cn1)CC(C)(C)C[NH3+] ZINC000133494576 366230077 /nfs/dbraw/zinc/23/00/77/366230077.db2.gz RHHYUCZAKZERFH-UHFFFAOYSA-N 2 1 286.217 2.261 20 0 CEADMP C[N@@H+](Cc1ccc(Br)cn1)CC(C)(C)C[NH3+] ZINC000133494576 366230082 /nfs/dbraw/zinc/23/00/82/366230082.db2.gz RHHYUCZAKZERFH-UHFFFAOYSA-N 2 1 286.217 2.261 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000495601089 291053255 /nfs/dbraw/zinc/05/32/55/291053255.db2.gz CFFVVMKBIXUSHB-ZDUSSCGKSA-N 2 1 299.459 2.364 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCC[C@@H]2CCOC2)CC[N@@H+]1C ZINC000682673014 540134260 /nfs/dbraw/zinc/13/42/60/540134260.db2.gz LPVJRTTXAFZYPZ-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCC[C@@H]2CCOC2)CC[N@H+]1C ZINC000682673014 540134266 /nfs/dbraw/zinc/13/42/66/540134266.db2.gz LPVJRTTXAFZYPZ-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCC[C@@H]2CCOC2)CC[NH+]1C ZINC000682673014 540134269 /nfs/dbraw/zinc/13/42/69/540134269.db2.gz LPVJRTTXAFZYPZ-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCC[C@@H]2CCOC2)CC[NH+]1C ZINC000682673014 540134271 /nfs/dbraw/zinc/13/42/71/540134271.db2.gz LPVJRTTXAFZYPZ-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)Cc1ccc(Cl)cc1 ZINC000382069546 540145840 /nfs/dbraw/zinc/14/58/40/540145840.db2.gz ZJYXSDXSHLFLPA-HNNXBMFYSA-N 2 1 284.831 2.473 20 0 CEADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000163218421 540203904 /nfs/dbraw/zinc/20/39/04/540203904.db2.gz CPXKGSGVEZDVOU-HUUCEWRRSA-N 2 1 262.397 2.351 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C2CCSCC2)[C@@H]2CCC[C@H]21 ZINC000367625166 283133124 /nfs/dbraw/zinc/13/31/24/283133124.db2.gz XBYVZRVPTNNPSA-MELADBBJSA-N 2 1 254.443 2.344 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000385260565 540226991 /nfs/dbraw/zinc/22/69/91/540226991.db2.gz VKCJZXIJHGGDOM-QLFBSQMISA-N 2 1 256.434 2.246 20 0 CEADMP CCc1cc(NCCCC[N@H+](C)C2CC2)nc(C)[nH+]1 ZINC000413350090 540228313 /nfs/dbraw/zinc/22/83/13/540228313.db2.gz VHSFDYHEXXIHDA-UHFFFAOYSA-N 2 1 262.401 2.056 20 0 CEADMP CCc1cc(NCCCC[N@@H+](C)C2CC2)nc(C)[nH+]1 ZINC000413350090 540228316 /nfs/dbraw/zinc/22/83/16/540228316.db2.gz VHSFDYHEXXIHDA-UHFFFAOYSA-N 2 1 262.401 2.056 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000414065203 540235993 /nfs/dbraw/zinc/23/59/93/540235993.db2.gz FQEKFYKWVSICCG-UONOGXRCSA-N 2 1 279.428 2.341 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000414065201 540236010 /nfs/dbraw/zinc/23/60/10/540236010.db2.gz FQEKFYKWVSICCG-KGLIPLIRSA-N 2 1 279.428 2.341 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000338283404 366270426 /nfs/dbraw/zinc/27/04/26/366270426.db2.gz QCNOQJPYWVRJGP-MRXNPFEDSA-N 2 1 284.444 2.382 20 0 CEADMP C[N@@H+](CCCO[C@@H]1CCCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000338309729 366287651 /nfs/dbraw/zinc/28/76/51/366287651.db2.gz VVEAGJIHMQRPPF-JKSUJKDBSA-N 2 1 284.444 2.193 20 0 CEADMP C[NH+](CCCO[C@@H]1CCCCO1)C[C@H]1CCC[N@H+](C)C1 ZINC000338309729 366287657 /nfs/dbraw/zinc/28/76/57/366287657.db2.gz VVEAGJIHMQRPPF-JKSUJKDBSA-N 2 1 284.444 2.193 20 0 CEADMP C[NH+](CCCO[C@@H]1CCCCO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000338309729 366287665 /nfs/dbraw/zinc/28/76/65/366287665.db2.gz VVEAGJIHMQRPPF-JKSUJKDBSA-N 2 1 284.444 2.193 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1CCOCC1 ZINC000075859894 363493362 /nfs/dbraw/zinc/49/33/62/363493362.db2.gz VSEMLIYJOHJFMF-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1CCOCC1 ZINC000075859894 363493370 /nfs/dbraw/zinc/49/33/70/363493370.db2.gz VSEMLIYJOHJFMF-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1CCOCC1 ZINC000075859894 363493375 /nfs/dbraw/zinc/49/33/75/363493375.db2.gz VSEMLIYJOHJFMF-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[N@H+](CCc1ccncc1)CC[C@H]1CCCC[NH+]1C ZINC000075861126 363493492 /nfs/dbraw/zinc/49/34/92/363493492.db2.gz MGDDUFBYFZJEJA-MRXNPFEDSA-N 2 1 261.413 2.430 20 0 CEADMP C[NH+](CCc1ccncc1)CC[C@H]1CCCC[N@@H+]1C ZINC000075861126 363493498 /nfs/dbraw/zinc/49/34/98/363493498.db2.gz MGDDUFBYFZJEJA-MRXNPFEDSA-N 2 1 261.413 2.430 20 0 CEADMP C[NH+](CCc1ccncc1)CC[C@H]1CCCC[N@H+]1C ZINC000075861126 363493506 /nfs/dbraw/zinc/49/35/06/363493506.db2.gz MGDDUFBYFZJEJA-MRXNPFEDSA-N 2 1 261.413 2.430 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000575813065 366363668 /nfs/dbraw/zinc/36/36/68/366363668.db2.gz UZCRRBQHONCVCQ-QGZVFWFLSA-N 2 1 290.451 2.444 20 0 CEADMP OCCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134886693 366369828 /nfs/dbraw/zinc/36/98/28/366369828.db2.gz COLJODAGWQMOFO-ZBFHGGJFSA-N 2 1 266.429 2.098 20 0 CEADMP OCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134886693 366369833 /nfs/dbraw/zinc/36/98/33/366369833.db2.gz COLJODAGWQMOFO-ZBFHGGJFSA-N 2 1 266.429 2.098 20 0 CEADMP OCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134886693 366369839 /nfs/dbraw/zinc/36/98/39/366369839.db2.gz COLJODAGWQMOFO-ZBFHGGJFSA-N 2 1 266.429 2.098 20 0 CEADMP CCC[N@@H+](CCN(CC)CC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414706732 283235583 /nfs/dbraw/zinc/23/55/83/283235583.db2.gz HFJXVVKMYSGDDF-JKSUJKDBSA-N 2 1 269.477 2.428 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348080969 538803171 /nfs/dbraw/zinc/80/31/71/538803171.db2.gz HMKCAGFYGSZEJU-DLBZAZTESA-N 2 1 279.472 2.182 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)(C)O ZINC000087817284 538807988 /nfs/dbraw/zinc/80/79/88/538807988.db2.gz LZUVPTWKRDXFIU-CQSZACIVSA-N 2 1 276.424 2.400 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C1CCC1 ZINC000324815115 538890058 /nfs/dbraw/zinc/89/00/58/538890058.db2.gz ULRUDIWIHSBAKE-HUUCEWRRSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@@H](CO)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121416482 538893720 /nfs/dbraw/zinc/89/37/20/538893720.db2.gz MWXAOXDZCHUZHT-OAHLLOKOSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@@H](CO)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121416482 538893721 /nfs/dbraw/zinc/89/37/21/538893721.db2.gz MWXAOXDZCHUZHT-OAHLLOKOSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@H](C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C(C)(C)C ZINC000670267192 540261453 /nfs/dbraw/zinc/26/14/53/540261453.db2.gz VEVCUHIDWRAGPL-HUUCEWRRSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@H](C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C(C)(C)C ZINC000670267192 540261456 /nfs/dbraw/zinc/26/14/56/540261456.db2.gz VEVCUHIDWRAGPL-HUUCEWRRSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000155985028 540315924 /nfs/dbraw/zinc/31/59/24/540315924.db2.gz VGFSBNZWGCWXMW-PMPSAXMXSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000155985028 540315927 /nfs/dbraw/zinc/31/59/27/540315927.db2.gz VGFSBNZWGCWXMW-PMPSAXMXSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000353520660 540316193 /nfs/dbraw/zinc/31/61/93/540316193.db2.gz OLCRGZRKEDBCTR-HRCADAONSA-N 2 1 268.445 2.248 20 0 CEADMP COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1F ZINC000165734674 540324307 /nfs/dbraw/zinc/32/43/07/540324307.db2.gz CBMOFCHJNFDDLV-VXGBXAGGSA-N 2 1 266.360 2.394 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1F ZINC000165734674 540324310 /nfs/dbraw/zinc/32/43/10/540324310.db2.gz CBMOFCHJNFDDLV-VXGBXAGGSA-N 2 1 266.360 2.394 20 0 CEADMP CCC[NH+]1CCC(NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000156655195 540342226 /nfs/dbraw/zinc/34/22/26/540342226.db2.gz GUMIGLCEADGFID-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP Cc1cccc(CCNc2[nH+]cnc3[nH]ccc32)n1 ZINC000359852208 540384419 /nfs/dbraw/zinc/38/44/19/540384419.db2.gz YOAAXCSJRZAUMS-UHFFFAOYSA-N 2 1 253.309 2.268 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000578127274 366448048 /nfs/dbraw/zinc/44/80/48/366448048.db2.gz LQZAQPZUEACDRV-KRWDZBQOSA-N 2 1 287.407 2.165 20 0 CEADMP CC[C@@H](c1ccccc1OC)N(C)C[C@H](O)C[N@@H+](C)CC ZINC000578245134 366466829 /nfs/dbraw/zinc/46/68/29/366466829.db2.gz DHXLGRWJRWCXMD-ZBFHGGJFSA-N 2 1 294.439 2.391 20 0 CEADMP CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000136185525 366502219 /nfs/dbraw/zinc/50/22/19/366502219.db2.gz PKHQWZCOURFBQP-NXEZZACHSA-N 2 1 252.362 2.026 20 0 CEADMP Cc1[nH+]ccn1CCCN(C)Cc1nnc(C(C)C)o1 ZINC000136313520 366509633 /nfs/dbraw/zinc/50/96/33/366509633.db2.gz NRAZPSXIWGSVSE-UHFFFAOYSA-N 2 1 277.372 2.220 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000578634975 366524209 /nfs/dbraw/zinc/52/42/09/366524209.db2.gz QHEUFAKJLOFKMS-RYUDHWBXSA-N 2 1 294.361 2.011 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000578634975 366524211 /nfs/dbraw/zinc/52/42/11/366524211.db2.gz QHEUFAKJLOFKMS-RYUDHWBXSA-N 2 1 294.361 2.011 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496850245 291176609 /nfs/dbraw/zinc/17/66/09/291176609.db2.gz WSPQFDWRDPYXDR-IUODEOHRSA-N 2 1 291.395 2.277 20 0 CEADMP CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000571011714 299289716 /nfs/dbraw/zinc/28/97/16/299289716.db2.gz PIBINNBBMHDFLD-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000311179953 540455247 /nfs/dbraw/zinc/45/52/47/540455247.db2.gz YBCTWYSYHPFACE-RBSFLKMASA-N 2 1 256.434 2.198 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1c(F)cncc1F ZINC000671770696 540508158 /nfs/dbraw/zinc/50/81/58/540508158.db2.gz BNXPUXNXIVWGCZ-OUAUKWLOSA-N 2 1 269.339 2.493 20 0 CEADMP CCn1c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nc2ccccc21 ZINC000666852254 540508752 /nfs/dbraw/zinc/50/87/52/540508752.db2.gz VELIUVQSKICUER-OLZOCXBDSA-N 2 1 272.396 2.416 20 0 CEADMP CCc1ccc2[nH+]ccc(NC[C@H]3C[N@@H+](C)CCN3C)c2c1 ZINC000297222067 200118229 /nfs/dbraw/zinc/11/82/29/200118229.db2.gz STIQPTYKKGQWMJ-HNNXBMFYSA-N 2 1 298.434 2.455 20 0 CEADMP CCc1ccc2[nH+]ccc(NC[C@H]3CN(C)CC[N@@H+]3C)c2c1 ZINC000297222067 200118231 /nfs/dbraw/zinc/11/82/31/200118231.db2.gz STIQPTYKKGQWMJ-HNNXBMFYSA-N 2 1 298.434 2.455 20 0 CEADMP CCc1ccc2[nH+]ccc(NC[C@H]3CN(C)CC[N@H+]3C)c2c1 ZINC000297222067 200118233 /nfs/dbraw/zinc/11/82/33/200118233.db2.gz STIQPTYKKGQWMJ-HNNXBMFYSA-N 2 1 298.434 2.455 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC([NH+](C)C)C1 ZINC000579004549 366579561 /nfs/dbraw/zinc/57/95/61/366579561.db2.gz KNBYRMMHPVDPMY-LTDKPHRXSA-N 2 1 287.451 2.189 20 0 CEADMP CCN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000579009379 366580495 /nfs/dbraw/zinc/58/04/95/366580495.db2.gz WJXKJZFEDYTYIX-QGZVFWFLSA-N 2 1 288.439 2.113 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000579009379 366580503 /nfs/dbraw/zinc/58/05/03/366580503.db2.gz WJXKJZFEDYTYIX-QGZVFWFLSA-N 2 1 288.439 2.113 20 0 CEADMP O[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150774565 366596289 /nfs/dbraw/zinc/59/62/89/366596289.db2.gz ORSWXSIHRBYYRU-MSOLQXFVSA-N 2 1 288.435 2.008 20 0 CEADMP Cc1nsc(C)c1CN1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000579370148 366636818 /nfs/dbraw/zinc/63/68/18/366636818.db2.gz ZAVZZIZDLRPGPY-LLVKDONJSA-N 2 1 297.468 2.037 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccnc2OCC(F)F)C1 ZINC000579494394 366655156 /nfs/dbraw/zinc/65/51/56/366655156.db2.gz NAHSFQRQCZVNJA-NEPJUHHUSA-N 2 1 285.338 2.085 20 0 CEADMP O[C@@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000298105333 200334892 /nfs/dbraw/zinc/33/48/92/200334892.db2.gz NUFMSCRTLASJBB-KRWDZBQOSA-N 2 1 274.408 2.327 20 0 CEADMP Cn1cc(CCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000673755134 540694324 /nfs/dbraw/zinc/69/43/24/540694324.db2.gz TVYGMULEGKETEP-KRWDZBQOSA-N 2 1 290.455 2.016 20 0 CEADMP Cn1cc(CCC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000673755134 540694327 /nfs/dbraw/zinc/69/43/27/540694327.db2.gz TVYGMULEGKETEP-KRWDZBQOSA-N 2 1 290.455 2.016 20 0 CEADMP Cn1cc(CCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000673755134 540694329 /nfs/dbraw/zinc/69/43/29/540694329.db2.gz TVYGMULEGKETEP-KRWDZBQOSA-N 2 1 290.455 2.016 20 0 CEADMP Cc1cnn(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000341913302 216150403 /nfs/dbraw/zinc/15/04/03/216150403.db2.gz RQMWFINYFIOHJH-DOTOQJQBSA-N 2 1 288.439 2.140 20 0 CEADMP Cc1cnn(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000341913302 216150406 /nfs/dbraw/zinc/15/04/06/216150406.db2.gz RQMWFINYFIOHJH-DOTOQJQBSA-N 2 1 288.439 2.140 20 0 CEADMP Cc1cnn(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000341913302 216150408 /nfs/dbraw/zinc/15/04/08/216150408.db2.gz RQMWFINYFIOHJH-DOTOQJQBSA-N 2 1 288.439 2.140 20 0 CEADMP Cc1cnn(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000341913302 216150411 /nfs/dbraw/zinc/15/04/11/216150411.db2.gz RQMWFINYFIOHJH-DOTOQJQBSA-N 2 1 288.439 2.140 20 0 CEADMP C[C@@H]([NH3+])CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000193291605 296017509 /nfs/dbraw/zinc/01/75/09/296017509.db2.gz XBEOLPBLPJENMQ-RISCZKNCSA-N 2 1 297.830 2.186 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000178742561 189142274 /nfs/dbraw/zinc/14/22/74/189142274.db2.gz RRKPCRCYZBXALS-JKIFEVAISA-N 2 1 299.422 2.086 20 0 CEADMP Cc1cccc2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cn21 ZINC000342114307 216221811 /nfs/dbraw/zinc/22/18/11/216221811.db2.gz CPUFONAFULCDLT-NUEKZKHPSA-N 2 1 284.407 2.202 20 0 CEADMP Cc1cccc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cn21 ZINC000342114307 216221814 /nfs/dbraw/zinc/22/18/14/216221814.db2.gz CPUFONAFULCDLT-NUEKZKHPSA-N 2 1 284.407 2.202 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc(N(C)C)nc2)CC1 ZINC000675742961 540870460 /nfs/dbraw/zinc/87/04/60/540870460.db2.gz BMPNFKVXRISBTM-UHFFFAOYSA-N 2 1 276.428 2.112 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000675789339 540873735 /nfs/dbraw/zinc/87/37/35/540873735.db2.gz YTMDZRXIEJDGRM-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H]([NH2+]C1CCN(C2CCC2)CC1)C1CC[NH+](C)CC1 ZINC000675795964 540874627 /nfs/dbraw/zinc/87/46/27/540874627.db2.gz NPIATWJJASQFLG-AWEZNQCLSA-N 2 1 279.472 2.323 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(O)CCCC2)[C@@H](C)C1 ZINC000675874584 540878499 /nfs/dbraw/zinc/87/84/99/540878499.db2.gz PFQAQCXZMLFJTH-HOTGVXAUSA-N 2 1 298.471 2.018 20 0 CEADMP C[C@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180113447 189238107 /nfs/dbraw/zinc/23/81/07/189238107.db2.gz WMUFEKDSPWGXOC-MIGBEJBISA-N 2 1 288.435 2.400 20 0 CEADMP CC[N@@H+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C[C@@H]1C ZINC000677192243 540991829 /nfs/dbraw/zinc/99/18/29/540991829.db2.gz JYQOJTNWWIHOOO-ZDUSSCGKSA-N 2 1 277.412 2.233 20 0 CEADMP CC[N@H+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C[C@@H]1C ZINC000677192243 540991833 /nfs/dbraw/zinc/99/18/33/540991833.db2.gz JYQOJTNWWIHOOO-ZDUSSCGKSA-N 2 1 277.412 2.233 20 0 CEADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC2(CCOC2)CC1 ZINC000677720325 541037278 /nfs/dbraw/zinc/03/72/78/541037278.db2.gz SNKRSODCURYGIW-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(CCOC2)CC1 ZINC000677720325 541037280 /nfs/dbraw/zinc/03/72/80/541037280.db2.gz SNKRSODCURYGIW-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000579721740 366691494 /nfs/dbraw/zinc/69/14/94/366691494.db2.gz BSZIGLGFDFNNAU-QGZVFWFLSA-N 2 1 278.440 2.386 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000579721740 366691502 /nfs/dbraw/zinc/69/15/02/366691502.db2.gz BSZIGLGFDFNNAU-QGZVFWFLSA-N 2 1 278.440 2.386 20 0 CEADMP CN(C)c1cc[nH+]c(NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000153133419 366731309 /nfs/dbraw/zinc/73/13/09/366731309.db2.gz JQRZTNQEPOGFBZ-UHFFFAOYSA-N 2 1 277.416 2.217 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC000237109910 370690655 /nfs/dbraw/zinc/69/06/55/370690655.db2.gz FLAWXMIPUHFTCV-UHFFFAOYSA-N 2 1 270.323 2.472 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2cccc(C)c2)C1 ZINC000011888938 361367086 /nfs/dbraw/zinc/36/70/86/361367086.db2.gz GLWWLWISRBLTHM-HNNXBMFYSA-N 2 1 262.397 2.305 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000154273297 366765154 /nfs/dbraw/zinc/76/51/54/366765154.db2.gz QFCKFXVWBCDRRG-RBUKOAKNSA-N 2 1 298.430 2.483 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000580254815 366771978 /nfs/dbraw/zinc/77/19/78/366771978.db2.gz GJKMSXCTZLQOKW-WCVJEAGWSA-N 2 1 297.487 2.484 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000580254815 366771985 /nfs/dbraw/zinc/77/19/85/366771985.db2.gz GJKMSXCTZLQOKW-WCVJEAGWSA-N 2 1 297.487 2.484 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000580254815 366771992 /nfs/dbraw/zinc/77/19/92/366771992.db2.gz GJKMSXCTZLQOKW-WCVJEAGWSA-N 2 1 297.487 2.484 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000340119014 366777136 /nfs/dbraw/zinc/77/71/36/366777136.db2.gz DYMKCBJEQHNBDA-ARFHVFGLSA-N 2 1 295.471 2.132 20 0 CEADMP COc1ccccc1CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000154558048 366779616 /nfs/dbraw/zinc/77/96/16/366779616.db2.gz ZTTKZJLENFMVKJ-HIFRSBDPSA-N 2 1 262.397 2.168 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1noc2ccccc12 ZINC000571820670 299330221 /nfs/dbraw/zinc/33/02/21/299330221.db2.gz HJVNXEMBDRVXJE-DGCLKSJQSA-N 2 1 259.353 2.306 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000019958691 361570135 /nfs/dbraw/zinc/57/01/35/361570135.db2.gz AYZYAKAPDGQHBC-LLVKDONJSA-N 2 1 250.342 2.018 20 0 CEADMP C[NH+](C)CCC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000019958128 361570696 /nfs/dbraw/zinc/57/06/96/361570696.db2.gz LGNCZWHFYHRSQY-UHFFFAOYSA-N 2 1 258.312 2.329 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000678604067 541156864 /nfs/dbraw/zinc/15/68/64/541156864.db2.gz YBOAYQRRCCGBCD-LMPOIIKSSA-N 3 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CC[N@H+]1C ZINC000678604067 541156867 /nfs/dbraw/zinc/15/68/67/541156867.db2.gz YBOAYQRRCCGBCD-LMPOIIKSSA-N 3 1 267.461 2.179 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678640855 541162239 /nfs/dbraw/zinc/16/22/39/541162239.db2.gz UPJFQRQFLVYLQC-HZPDHXFCSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678640855 541162243 /nfs/dbraw/zinc/16/22/43/541162243.db2.gz UPJFQRQFLVYLQC-HZPDHXFCSA-N 2 1 277.412 2.330 20 0 CEADMP CCc1cc(NC[C@@H](C)[NH+](CC)CC)nc(C)[nH+]1 ZINC000302035176 201311403 /nfs/dbraw/zinc/31/14/03/201311403.db2.gz FGBOFBXLWZAHCL-LLVKDONJSA-N 2 1 250.390 2.490 20 0 CEADMP C[C@H]1C[C@H](Nc2ccc3c(c2)[nH+]cn3C)CC[N@@H+]1C ZINC000679153220 541222476 /nfs/dbraw/zinc/22/24/76/541222476.db2.gz PMXZYLWAEROBHG-WCQYABFASA-N 2 1 258.369 2.468 20 0 CEADMP C[C@H]1C[C@H](Nc2ccc3c(c2)[nH+]cn3C)CC[N@H+]1C ZINC000679153220 541222479 /nfs/dbraw/zinc/22/24/79/541222479.db2.gz PMXZYLWAEROBHG-WCQYABFASA-N 2 1 258.369 2.468 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC000088163905 363880892 /nfs/dbraw/zinc/88/08/92/363880892.db2.gz KYHFWYXNBSHOFN-YHWZYXNKSA-N 2 1 292.379 2.171 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)o1 ZINC000088163905 363880897 /nfs/dbraw/zinc/88/08/97/363880897.db2.gz KYHFWYXNBSHOFN-YHWZYXNKSA-N 2 1 292.379 2.171 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2C(C)C)CC1 ZINC000089128337 363934834 /nfs/dbraw/zinc/93/48/34/363934834.db2.gz XNHAZPLHEWFBJL-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)[C@H](C)C1 ZINC000090409200 364056075 /nfs/dbraw/zinc/05/60/75/364056075.db2.gz GCDNDSOORMNPFF-OCCSQVGLSA-N 2 1 297.830 2.434 20 0 CEADMP Cc1ccn2c(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])cnc2c1 ZINC000334614773 364085940 /nfs/dbraw/zinc/08/59/40/364085940.db2.gz FLNZEOGBSOMSRQ-ZIAGYGMSSA-N 2 1 258.369 2.002 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000334673792 364163082 /nfs/dbraw/zinc/16/30/82/364163082.db2.gz SNMYFZHRANPONX-HNNXBMFYSA-N 2 1 260.381 2.064 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(F)(F)F)CC[C@@H]21 ZINC000334694506 364192267 /nfs/dbraw/zinc/19/22/67/364192267.db2.gz IXOBWPUODZPEPA-QWRGUYRKSA-N 2 1 250.308 2.355 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(F)(F)F)CC[C@@H]21 ZINC000334694506 364192270 /nfs/dbraw/zinc/19/22/70/364192270.db2.gz IXOBWPUODZPEPA-QWRGUYRKSA-N 2 1 250.308 2.355 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(F)(F)F)CC[C@@H]21 ZINC000334694506 364192277 /nfs/dbraw/zinc/19/22/77/364192277.db2.gz IXOBWPUODZPEPA-QWRGUYRKSA-N 2 1 250.308 2.355 20 0 CEADMP COc1ccc(C)cc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874317 364238276 /nfs/dbraw/zinc/23/82/76/364238276.db2.gz YLBYPTIVMVXPKZ-UHFFFAOYSA-N 2 1 250.386 2.420 20 0 CEADMP COc1ccc(C)cc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874317 364238277 /nfs/dbraw/zinc/23/82/77/364238277.db2.gz YLBYPTIVMVXPKZ-UHFFFAOYSA-N 2 1 250.386 2.420 20 0 CEADMP Clc1cnccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000334998087 364329085 /nfs/dbraw/zinc/32/90/85/364329085.db2.gz JUBQAZZHJJMFGU-TXEJJXNPSA-N 2 1 265.788 2.166 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+]CC1([NH3+])CCCCC1 ZINC000335007112 364342261 /nfs/dbraw/zinc/34/22/61/364342261.db2.gz FHPDZMDTVFISLJ-CYBMUJFWSA-N 2 1 262.401 2.049 20 0 CEADMP c1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000335031766 364379588 /nfs/dbraw/zinc/37/95/88/364379588.db2.gz SLRTVXDEBABGBF-RDJZCZTQSA-N 2 1 274.408 2.422 20 0 CEADMP c1ccc2c(c1)CC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000335036191 364384153 /nfs/dbraw/zinc/38/41/53/364384153.db2.gz MYRDBFODTKTOQD-TVPLGVNVSA-N 2 1 299.462 2.480 20 0 CEADMP C1C[C@]2(CS1)CCC[N@H+]([C@@H]1CCC[NH2+]CC1)C2 ZINC000335009081 364345160 /nfs/dbraw/zinc/34/51/60/364345160.db2.gz JYGNMQKMJQOAHM-ZIAGYGMSSA-N 2 1 254.443 2.348 20 0 CEADMP c1[nH]nc2cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc12 ZINC000335668143 212387429 /nfs/dbraw/zinc/38/74/29/212387429.db2.gz SSSLFBYUWSTEII-INIZCTEOSA-N 2 1 270.380 2.138 20 0 CEADMP c1[nH]nc2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc12 ZINC000335668143 212387431 /nfs/dbraw/zinc/38/74/31/212387431.db2.gz SSSLFBYUWSTEII-INIZCTEOSA-N 2 1 270.380 2.138 20 0 CEADMP Fc1ccc(N2CCC([NH2+][C@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000335180647 364586483 /nfs/dbraw/zinc/58/64/83/364586483.db2.gz NJEGPEQCMPFTBN-AWEZNQCLSA-N 2 1 295.377 2.275 20 0 CEADMP COCCCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000103226569 364633963 /nfs/dbraw/zinc/63/39/63/364633963.db2.gz UXBQEQZOOQOFPP-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP CCNC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229273 364634858 /nfs/dbraw/zinc/63/48/58/364634858.db2.gz CQWHCYJRBCILBH-MRXNPFEDSA-N 2 1 295.471 2.101 20 0 CEADMP COc1ccccc1CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000104097934 364677246 /nfs/dbraw/zinc/67/72/46/364677246.db2.gz DLAYJLABZLAQPV-AWEZNQCLSA-N 2 1 262.397 2.469 20 0 CEADMP C[N@@H+](CCOc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000104095452 364677591 /nfs/dbraw/zinc/67/75/91/364677591.db2.gz QVIPRUNLIQQVQT-OAHLLOKOSA-N 2 1 262.397 2.339 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000111695747 364753402 /nfs/dbraw/zinc/75/34/02/364753402.db2.gz NGRBNRWBMDSMRL-KGLIPLIRSA-N 2 1 277.412 2.266 20 0 CEADMP COc1c(C)cnc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000111695747 364753406 /nfs/dbraw/zinc/75/34/06/364753406.db2.gz NGRBNRWBMDSMRL-KGLIPLIRSA-N 2 1 277.412 2.266 20 0 CEADMP COc1c(C)cnc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000111695747 364753412 /nfs/dbraw/zinc/75/34/12/364753412.db2.gz NGRBNRWBMDSMRL-KGLIPLIRSA-N 2 1 277.412 2.266 20 0 CEADMP C[N@H+]1CCCC12CCN(CC[C@H]1CCCO1)CC2 ZINC000335756548 364936865 /nfs/dbraw/zinc/93/68/65/364936865.db2.gz SQFYLPSFGNCJAW-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CC[C@H]1CCCO1)CC2 ZINC000335756548 364936869 /nfs/dbraw/zinc/93/68/69/364936869.db2.gz SQFYLPSFGNCJAW-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CC[C@H]1CCCO1)CC2 ZINC000335756548 364936873 /nfs/dbraw/zinc/93/68/73/364936873.db2.gz SQFYLPSFGNCJAW-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP CC(C)n1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000335951124 365208148 /nfs/dbraw/zinc/20/81/48/365208148.db2.gz QFGPKSYUNQLIDG-UHFFFAOYSA-N 2 1 262.401 2.040 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CC=CCC2)CCN1C1CC[NH+](C)CC1 ZINC000335998298 365270681 /nfs/dbraw/zinc/27/06/81/365270681.db2.gz WCPOVXFGUBOWKP-SJORKVTESA-N 2 1 291.483 2.443 20 0 CEADMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)nc1 ZINC000335997935 365270757 /nfs/dbraw/zinc/27/07/57/365270757.db2.gz WMQQQCHZCACJCA-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)nc1 ZINC000335997935 365270758 /nfs/dbraw/zinc/27/07/58/365270758.db2.gz WMQQQCHZCACJCA-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)nc1 ZINC000335997935 365270762 /nfs/dbraw/zinc/27/07/62/365270762.db2.gz WMQQQCHZCACJCA-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000582257050 366886125 /nfs/dbraw/zinc/88/61/25/366886125.db2.gz FXTJGAGWXNZGOY-JTQLQIEISA-N 2 1 293.392 2.162 20 0 CEADMP C[C@H]1OCC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000119972235 365354917 /nfs/dbraw/zinc/35/49/17/365354917.db2.gz LFOBUDQLCZHZEO-HIFRSBDPSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(Cc3cnn(C(C)(C)C)c3)C2)C1 ZINC000336113235 365425214 /nfs/dbraw/zinc/42/52/14/365425214.db2.gz PYMZGDPRHFWAKQ-MRXNPFEDSA-N 2 1 276.428 2.166 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CC2CCC(=O)CC2)CCN1C ZINC000336186009 365522708 /nfs/dbraw/zinc/52/27/08/365522708.db2.gz KLNHEVJKHPCGJV-GXTWGEPZSA-N 2 1 252.402 2.160 20 0 CEADMP CCOC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCCC1 ZINC000340467179 366894772 /nfs/dbraw/zinc/89/47/72/366894772.db2.gz VBUDOKVRGJAARJ-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000340482611 366903074 /nfs/dbraw/zinc/90/30/74/366903074.db2.gz CEILWOXBODOLFH-WMZOPIPTSA-N 2 1 288.435 2.491 20 0 CEADMP Cc1cnccc1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000120963329 365503816 /nfs/dbraw/zinc/50/38/16/365503816.db2.gz GJNGJIUOUQEFFG-CYBMUJFWSA-N 2 1 274.368 2.092 20 0 CEADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000582481491 366916563 /nfs/dbraw/zinc/91/65/63/366916563.db2.gz KYWMREIMBRIYGQ-HIFRSBDPSA-N 2 1 275.396 2.054 20 0 CEADMP C[C@H]([NH2+]Cc1ccncc1OCC(F)F)[C@H]1CCC[NH2+]C1 ZINC000582600270 366931411 /nfs/dbraw/zinc/93/14/11/366931411.db2.gz KXSNBRMHZAOYSM-RYUDHWBXSA-N 2 1 299.365 2.203 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccccc1 ZINC000582763718 366954869 /nfs/dbraw/zinc/95/48/69/366954869.db2.gz ZEYPPZZKWABKTO-HZPDHXFCSA-N 2 1 262.397 2.136 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccccc1 ZINC000582763718 366954877 /nfs/dbraw/zinc/95/48/77/366954877.db2.gz ZEYPPZZKWABKTO-HZPDHXFCSA-N 2 1 262.397 2.136 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000582763718 366954882 /nfs/dbraw/zinc/95/48/82/366954882.db2.gz ZEYPPZZKWABKTO-HZPDHXFCSA-N 2 1 262.397 2.136 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000582763718 366954888 /nfs/dbraw/zinc/95/48/88/366954888.db2.gz ZEYPPZZKWABKTO-HZPDHXFCSA-N 2 1 262.397 2.136 20 0 CEADMP CC[C@@H](C)[C@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000340663448 366973671 /nfs/dbraw/zinc/97/36/71/366973671.db2.gz WXOJPTNAZKPRLV-SKDRFNHKSA-N 2 1 260.341 2.241 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CO)[C@H]2CCC[C@H]21 ZINC000582956022 366980746 /nfs/dbraw/zinc/98/07/46/366980746.db2.gz MYXSTEHZVYOACA-IXDOHACOSA-N 2 1 274.408 2.141 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000582993942 366986141 /nfs/dbraw/zinc/98/61/41/366986141.db2.gz BPIJLIGDYJVSPS-RBSFLKMASA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000582993942 366986145 /nfs/dbraw/zinc/98/61/45/366986145.db2.gz BPIJLIGDYJVSPS-RBSFLKMASA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000582993942 366986151 /nfs/dbraw/zinc/98/61/51/366986151.db2.gz BPIJLIGDYJVSPS-RBSFLKMASA-N 2 1 267.461 2.322 20 0 CEADMP C[N@@H+](CCCOc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000340704520 366997771 /nfs/dbraw/zinc/99/77/71/366997771.db2.gz AFLOAOUMHCSULU-INIZCTEOSA-N 2 1 262.397 2.387 20 0 CEADMP Cc1c(Cl)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nn1C ZINC000335553338 212257971 /nfs/dbraw/zinc/25/79/71/212257971.db2.gz APDQNYWBOSALJA-OLZOCXBDSA-N 2 1 296.846 2.203 20 0 CEADMP Cc1c(Cl)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nn1C ZINC000335553338 212257973 /nfs/dbraw/zinc/25/79/73/212257973.db2.gz APDQNYWBOSALJA-OLZOCXBDSA-N 2 1 296.846 2.203 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000583740432 367089882 /nfs/dbraw/zinc/08/98/82/367089882.db2.gz GQSPGDOTPABJBS-RDJZCZTQSA-N 3 1 281.488 2.427 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000341046374 367146769 /nfs/dbraw/zinc/14/67/69/367146769.db2.gz BBWPVOUNUOSNRW-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000341045423 367147159 /nfs/dbraw/zinc/14/71/59/367147159.db2.gz LOBOCBYXBQSUBU-NSHDSACASA-N 2 1 293.436 2.030 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)Cc1ccccc1 ZINC000245444767 370821213 /nfs/dbraw/zinc/82/12/13/370821213.db2.gz JWBUOJADTOSNLW-ROUUACIJSA-N 2 1 290.451 2.396 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)Cc1ccccc1 ZINC000245444767 370821215 /nfs/dbraw/zinc/82/12/15/370821215.db2.gz JWBUOJADTOSNLW-ROUUACIJSA-N 2 1 290.451 2.396 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)Cc1ccccc1 ZINC000245444767 370821219 /nfs/dbraw/zinc/82/12/19/370821219.db2.gz JWBUOJADTOSNLW-ROUUACIJSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)CCC[C@H]2C)CC1 ZINC000357962061 370853788 /nfs/dbraw/zinc/85/37/88/370853788.db2.gz STRXLGJENZUGSM-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1nccn1CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245576877 370842725 /nfs/dbraw/zinc/84/27/25/370842725.db2.gz BDWMUNPFKXWICF-DLBZAZTESA-N 2 1 290.455 2.388 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245576877 370842730 /nfs/dbraw/zinc/84/27/30/370842730.db2.gz BDWMUNPFKXWICF-DLBZAZTESA-N 2 1 290.455 2.388 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245576877 370842736 /nfs/dbraw/zinc/84/27/36/370842736.db2.gz BDWMUNPFKXWICF-DLBZAZTESA-N 2 1 290.455 2.388 20 0 CEADMP CCCC(=O)NC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245590562 370844207 /nfs/dbraw/zinc/84/42/07/370844207.db2.gz KOSNQGQRDRJEQZ-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC(=O)NC[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245590562 370844212 /nfs/dbraw/zinc/84/42/12/370844212.db2.gz KOSNQGQRDRJEQZ-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC(=O)NC[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245590562 370844218 /nfs/dbraw/zinc/84/42/18/370844218.db2.gz KOSNQGQRDRJEQZ-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335545244 212245671 /nfs/dbraw/zinc/24/56/71/212245671.db2.gz ZEXKOXQJNVWVLS-CQSZACIVSA-N 2 1 276.428 2.428 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000164640088 367291669 /nfs/dbraw/zinc/29/16/69/367291669.db2.gz CQPCUBDLUFQTEM-LBPRGKRZSA-N 2 1 261.373 2.056 20 0 CEADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000165955505 367316698 /nfs/dbraw/zinc/31/66/98/367316698.db2.gz YBTXUPBTLLMVRT-CJNGLKHVSA-N 2 1 291.439 2.128 20 0 CEADMP CC(C)[NH2+]CCC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000166065275 367318600 /nfs/dbraw/zinc/31/86/00/367318600.db2.gz WPQSUGYUUFCBIT-AWEZNQCLSA-N 2 1 283.460 2.001 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000341950546 367380351 /nfs/dbraw/zinc/38/03/51/367380351.db2.gz ILIYVYNJSBRBRQ-RRFJBIMHSA-N 2 1 255.450 2.037 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000341950546 367380358 /nfs/dbraw/zinc/38/03/58/367380358.db2.gz ILIYVYNJSBRBRQ-RRFJBIMHSA-N 2 1 255.450 2.037 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000341950546 367380365 /nfs/dbraw/zinc/38/03/65/367380365.db2.gz ILIYVYNJSBRBRQ-RRFJBIMHSA-N 2 1 255.450 2.037 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC000631566499 367406038 /nfs/dbraw/zinc/40/60/38/367406038.db2.gz QLVIYBLQPZEZMX-KRWDZBQOSA-N 2 1 292.423 2.240 20 0 CEADMP CC1(C)CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000342708628 367493508 /nfs/dbraw/zinc/49/35/08/367493508.db2.gz LLQJMPMOEYEDIY-KGLIPLIRSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)[C@H](C)O1 ZINC000631702163 367493824 /nfs/dbraw/zinc/49/38/24/367493824.db2.gz JCNZEJXYVCNEOJ-ZAQNNHEOSA-N 2 1 252.402 2.015 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000170901382 367443855 /nfs/dbraw/zinc/44/38/55/367443855.db2.gz DKXLQHSDQKVCRG-AWEZNQCLSA-N 2 1 299.378 2.080 20 0 CEADMP CC[C@@H](CO)[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000342637123 367461725 /nfs/dbraw/zinc/46/17/25/367461725.db2.gz MFBARWIPNCFFNM-KRWDZBQOSA-N 2 1 287.407 2.465 20 0 CEADMP CC[C@@H](CO)[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000342637123 367461728 /nfs/dbraw/zinc/46/17/28/367461728.db2.gz MFBARWIPNCFFNM-KRWDZBQOSA-N 2 1 287.407 2.465 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000342809889 367550242 /nfs/dbraw/zinc/55/02/42/367550242.db2.gz MNASLDLVYGHVBR-CMPLNLGQSA-N 2 1 285.338 2.113 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000342809889 367550244 /nfs/dbraw/zinc/55/02/44/367550244.db2.gz MNASLDLVYGHVBR-CMPLNLGQSA-N 2 1 285.338 2.113 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)[C@@H]1CCC[NH3+] ZINC000631829341 367567510 /nfs/dbraw/zinc/56/75/10/367567510.db2.gz NVDBMRNFHODEIK-RBSFLKMASA-N 2 1 254.418 2.395 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000631821667 367559414 /nfs/dbraw/zinc/55/94/14/367559414.db2.gz FQBNIJOUGFSVKP-UONOGXRCSA-N 2 1 274.408 2.319 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631826702 367563578 /nfs/dbraw/zinc/56/35/78/367563578.db2.gz VMSPXAPABMOTBL-CAOSSQGBSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCc2cccc3c2OC(F)(F)O3)C1 ZINC000631825838 367564061 /nfs/dbraw/zinc/56/40/61/367564061.db2.gz WOBNOOIWTGJMQH-AWEZNQCLSA-N 2 1 298.333 2.221 20 0 CEADMP CCc1nc(NCC[C@@H](C)[NH+]2CCCCC2)cc(C)[nH+]1 ZINC000342850233 367570962 /nfs/dbraw/zinc/57/09/62/367570962.db2.gz MIHFIRBDRHUTIG-CQSZACIVSA-N 2 1 276.428 2.446 20 0 CEADMP C[C@@H]1C[NH+](C/C=C/C[N@H+]2CCS[C@H](C)C2)CCS1 ZINC000171691243 367595109 /nfs/dbraw/zinc/59/51/09/367595109.db2.gz VZNPWDBMPYRTAX-LSMGEYOZSA-N 2 1 286.510 2.417 20 0 CEADMP Cc1cccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886005 367609210 /nfs/dbraw/zinc/60/92/10/367609210.db2.gz GJDYFEZVETZHEI-NVXWUHKLSA-N 2 1 274.408 2.448 20 0 CEADMP c1ccc2c(CC[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)noc2c1 ZINC000631888950 367611061 /nfs/dbraw/zinc/61/10/61/367611061.db2.gz AATFKSDOIRYANK-CJNGLKHVSA-N 2 1 285.391 2.444 20 0 CEADMP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccccc1 ZINC000631888299 367611327 /nfs/dbraw/zinc/61/13/27/367611327.db2.gz UYNMAWXHJAMKGL-GDBMZVCRSA-N 2 1 287.407 2.089 20 0 CEADMP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccccc1 ZINC000631888299 367611328 /nfs/dbraw/zinc/61/13/28/367611328.db2.gz UYNMAWXHJAMKGL-GDBMZVCRSA-N 2 1 287.407 2.089 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCCC(C)(C)C)C1CC1 ZINC000572511528 299375739 /nfs/dbraw/zinc/37/57/39/299375739.db2.gz CVHXLXOQPMULPU-AWEZNQCLSA-N 2 1 256.434 2.248 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CCCCC(C)(C)C)C1CC1 ZINC000572511528 299375738 /nfs/dbraw/zinc/37/57/38/299375738.db2.gz CVHXLXOQPMULPU-AWEZNQCLSA-N 2 1 256.434 2.248 20 0 CEADMP Cc1cccc(OCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000358057388 370889425 /nfs/dbraw/zinc/88/94/25/370889425.db2.gz FYIFOVOYZZDYJZ-GOEBONIOSA-N 2 1 262.397 2.304 20 0 CEADMP Cc1cccc(OCC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358057408 370889611 /nfs/dbraw/zinc/88/96/11/370889611.db2.gz FYIFOVOYZZDYJZ-ZBFHGGJFSA-N 2 1 262.397 2.304 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358073115 370893533 /nfs/dbraw/zinc/89/35/33/370893533.db2.gz DKEZPOXESLNKBE-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358073115 370893539 /nfs/dbraw/zinc/89/35/39/370893539.db2.gz DKEZPOXESLNKBE-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358073115 370893541 /nfs/dbraw/zinc/89/35/41/370893541.db2.gz DKEZPOXESLNKBE-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)CC2CCCC2)[C@@H](C)C1 ZINC000343595616 367906797 /nfs/dbraw/zinc/90/67/97/367906797.db2.gz KNRWTKOFYXGULR-UAGQMJEPSA-N 2 1 282.472 2.495 20 0 CEADMP COc1ccsc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343612800 367916647 /nfs/dbraw/zinc/91/66/47/367916647.db2.gz JHXVFXNWXCZNEP-NEPJUHHUSA-N 2 1 266.410 2.473 20 0 CEADMP COc1ccsc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000343612800 367916650 /nfs/dbraw/zinc/91/66/50/367916650.db2.gz JHXVFXNWXCZNEP-NEPJUHHUSA-N 2 1 266.410 2.473 20 0 CEADMP C[C@H]1CN(C)C[C@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343572010 367891496 /nfs/dbraw/zinc/89/14/96/367891496.db2.gz OBHVYSCUCDVRDM-VVLHAWIVSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@H]1NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000343693739 367959148 /nfs/dbraw/zinc/95/91/48/367959148.db2.gz NEMKNFACPPJGAG-QKPAOTATSA-N 2 1 281.488 2.283 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000343693739 367959150 /nfs/dbraw/zinc/95/91/50/367959150.db2.gz NEMKNFACPPJGAG-QKPAOTATSA-N 2 1 281.488 2.283 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@H]1NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343693739 367959153 /nfs/dbraw/zinc/95/91/53/367959153.db2.gz NEMKNFACPPJGAG-QKPAOTATSA-N 2 1 281.488 2.283 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@H]1NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343693739 367959155 /nfs/dbraw/zinc/95/91/55/367959155.db2.gz NEMKNFACPPJGAG-QKPAOTATSA-N 2 1 281.488 2.283 20 0 CEADMP CCCC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000175726791 368168657 /nfs/dbraw/zinc/16/86/57/368168657.db2.gz JPFIJLPQYAUBFP-INIZCTEOSA-N 2 1 291.439 2.137 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2)[C@H](C)C1 ZINC000345160237 368174530 /nfs/dbraw/zinc/17/45/30/368174530.db2.gz PKVQNTANOSLJJD-NJAFHUGGSA-N 2 1 290.451 2.158 20 0 CEADMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C)[NH+]1CCCCC1 ZINC000345301804 368227476 /nfs/dbraw/zinc/22/74/76/368227476.db2.gz UGBYPBUVKDJFAY-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CO[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(F)(F)F ZINC000345478175 368292438 /nfs/dbraw/zinc/29/24/38/368292438.db2.gz GFTLGQDKEVPGRA-SDDRHHMPSA-N 2 1 280.334 2.170 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000178695001 368309083 /nfs/dbraw/zinc/30/90/83/368309083.db2.gz YXKVZUUXQYGSEO-CQSZACIVSA-N 3 1 278.444 2.292 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(Cl)cn2)CC[N@@H+]1C ZINC000181324228 368443589 /nfs/dbraw/zinc/44/35/89/368443589.db2.gz SADZCUDFNKQPEU-DGCLKSJQSA-N 2 1 283.803 2.186 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(Cl)cn2)CC[N@H+]1C ZINC000181324228 368443596 /nfs/dbraw/zinc/44/35/96/368443596.db2.gz SADZCUDFNKQPEU-DGCLKSJQSA-N 2 1 283.803 2.186 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCSC1 ZINC000183492134 368629286 /nfs/dbraw/zinc/62/92/86/368629286.db2.gz MZAHNOYEEPGXAA-YPMHNXCESA-N 2 1 253.415 2.313 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)[C@H](C)C1 ZINC000346552934 368714795 /nfs/dbraw/zinc/71/47/95/368714795.db2.gz BJKTUADRBWZUOK-ZACQAIPSSA-N 2 1 281.488 2.428 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000572713779 299391744 /nfs/dbraw/zinc/39/17/44/299391744.db2.gz CUWYRQWXYKYHMT-HZPDHXFCSA-N 2 1 268.445 2.249 20 0 CEADMP C([NH2+][C@H]1CCCOCC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000358138266 370920143 /nfs/dbraw/zinc/92/01/43/370920143.db2.gz IHHOLDBWRJGMLG-INIZCTEOSA-N 2 1 296.455 2.180 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC[C@@H]1CCCCO1 ZINC000347481828 368810475 /nfs/dbraw/zinc/81/04/75/368810475.db2.gz KSCJYRYSHLLIPQ-TWMKSMIVSA-N 2 1 296.455 2.129 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634685593 368813678 /nfs/dbraw/zinc/81/36/78/368813678.db2.gz QWBYLWODKGOJTO-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc[nH+]1 ZINC000185648732 368836181 /nfs/dbraw/zinc/83/61/81/368836181.db2.gz RHCXTAWRIGSWPS-OAHLLOKOSA-N 2 1 263.385 2.159 20 0 CEADMP C[C@@H]([NH2+]CCn1ccnc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185672670 368840914 /nfs/dbraw/zinc/84/09/14/368840914.db2.gz ZYJGTTYPVDXBTL-CABCVRRESA-N 2 1 276.428 2.126 20 0 CEADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634644422 368792779 /nfs/dbraw/zinc/79/27/79/368792779.db2.gz VCRJTGSNSOFNEP-MAUKXSAKSA-N 2 1 288.435 2.259 20 0 CEADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634644422 368792785 /nfs/dbraw/zinc/79/27/85/368792785.db2.gz VCRJTGSNSOFNEP-MAUKXSAKSA-N 2 1 288.435 2.259 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]1(C)C1CCCCC1 ZINC000634652621 368798939 /nfs/dbraw/zinc/79/89/39/368798939.db2.gz VWOGCOBOBZERLJ-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]1(C)C1CCCCC1 ZINC000634652621 368798940 /nfs/dbraw/zinc/79/89/40/368798940.db2.gz VWOGCOBOBZERLJ-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]1(C)C1CCCCC1 ZINC000634652621 368798945 /nfs/dbraw/zinc/79/89/45/368798945.db2.gz VWOGCOBOBZERLJ-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H]1CC[C@H]1[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000348086501 368890399 /nfs/dbraw/zinc/89/03/99/368890399.db2.gz OFTXGMFJTPRZEZ-JKSUJKDBSA-N 2 1 267.461 2.182 20 0 CEADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)[C@H]1CCCO1 ZINC000348278368 368981814 /nfs/dbraw/zinc/98/18/14/368981814.db2.gz KRPVLZTWGIDYCN-UONOGXRCSA-N 2 1 251.374 2.129 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000348315827 368999480 /nfs/dbraw/zinc/99/94/80/368999480.db2.gz IGAPKMMAGDSQSC-XKQJLSEDSA-N 2 1 293.430 2.358 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC12CC(C1)C[NH2+]2 ZINC000634993716 369021892 /nfs/dbraw/zinc/02/18/92/369021892.db2.gz CXUCHVIHMRAGGB-HEZAVNPASA-N 2 1 299.462 2.333 20 0 CEADMP C[C@@H]1CN(CC23CC(C2)C[NH2+]3)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000634993717 369022297 /nfs/dbraw/zinc/02/22/97/369022297.db2.gz CXUCHVIHMRAGGB-JLJREYHVSA-N 2 1 299.462 2.333 20 0 CEADMP CC[C@@H](C[NH2+]CC12CC(C1)C[NH2+]2)Oc1ccccc1C ZINC000634995600 369025006 /nfs/dbraw/zinc/02/50/06/369025006.db2.gz KCAWQJPGELWTIW-CKDBGZEDSA-N 2 1 274.408 2.494 20 0 CEADMP C[C@@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)CCc2ccccc21 ZINC000634996962 369026151 /nfs/dbraw/zinc/02/61/51/369026151.db2.gz ZWQPXSKZJAKZMX-TUBUQKNSSA-N 2 1 256.393 2.400 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cc(Cl)cc3c2OCC3)C[C@H]1C[NH3+] ZINC000634999240 369034109 /nfs/dbraw/zinc/03/41/09/369034109.db2.gz RKNNJKRDAPQGGT-ZWNOBZJWSA-N 2 1 280.799 2.302 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cc3c2OCC3)C[C@H]1C[NH3+] ZINC000634999240 369034113 /nfs/dbraw/zinc/03/41/13/369034113.db2.gz RKNNJKRDAPQGGT-ZWNOBZJWSA-N 2 1 280.799 2.302 20 0 CEADMP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccncn1 ZINC000635006140 369042548 /nfs/dbraw/zinc/04/25/48/369042548.db2.gz LBIJYRLUFSFIGC-UKRRQHHQSA-N 2 1 270.380 2.087 20 0 CEADMP c1cnc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2n1 ZINC000634952721 368986720 /nfs/dbraw/zinc/98/67/20/368986720.db2.gz HKHAOBBJLFDSAY-LSDHHAIUSA-N 2 1 282.391 2.346 20 0 CEADMP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCNC(=O)CC1)CC(C)C ZINC000634951813 368986911 /nfs/dbraw/zinc/98/69/11/368986911.db2.gz GYNAAVXOVGLOOR-HUUCEWRRSA-N 2 1 283.460 2.001 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634953676 368988118 /nfs/dbraw/zinc/98/81/18/368988118.db2.gz HJCNFYSWFRFNRU-CQSZACIVSA-N 2 1 270.380 2.061 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634957067 368992423 /nfs/dbraw/zinc/99/24/23/368992423.db2.gz CBKDQAJUPQOEEJ-HNNXBMFYSA-N 2 1 284.407 2.451 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000635013233 369051914 /nfs/dbraw/zinc/05/19/14/369051914.db2.gz DLRHQNKEWFSQPF-OSAQELSMSA-N 2 1 282.815 2.004 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000635013770 369052893 /nfs/dbraw/zinc/05/28/93/369052893.db2.gz VOOWFKVBZKCIQT-TUVJXNFZSA-N 2 1 299.462 2.442 20 0 CEADMP Cc1ccc(CN2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000635013770 369052894 /nfs/dbraw/zinc/05/28/94/369052894.db2.gz VOOWFKVBZKCIQT-TUVJXNFZSA-N 2 1 299.462 2.442 20 0 CEADMP CC[C@H](C)CN(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000349071695 369235168 /nfs/dbraw/zinc/23/51/68/369235168.db2.gz GUTSBKYAJHNKBB-HOTGVXAUSA-N 2 1 269.477 2.380 20 0 CEADMP C[N@@H+](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)CC(C)(C)C ZINC000635616880 369249408 /nfs/dbraw/zinc/24/94/08/369249408.db2.gz VEMJTFKKRYURLQ-GOOCMWNKSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)CC(C)(C)C ZINC000635616880 369249411 /nfs/dbraw/zinc/24/94/11/369249411.db2.gz VEMJTFKKRYURLQ-GOOCMWNKSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)CC(C)(C)C ZINC000635616880 369249414 /nfs/dbraw/zinc/24/94/14/369249414.db2.gz VEMJTFKKRYURLQ-GOOCMWNKSA-N 2 1 295.471 2.096 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000349196488 369263263 /nfs/dbraw/zinc/26/32/63/369263263.db2.gz VCEHZFGBWCROPV-ZDUSSCGKSA-N 2 1 287.363 2.124 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1nccnc1C ZINC000187957178 369260989 /nfs/dbraw/zinc/26/09/89/369260989.db2.gz WQSFQFKYBIRFIY-DGCLKSJQSA-N 2 1 273.384 2.277 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCC1)CC1=CCCOC1 ZINC000349414560 369323823 /nfs/dbraw/zinc/32/38/23/369323823.db2.gz HGWQRTXYUAFYCM-UHFFFAOYSA-N 2 1 252.402 2.141 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000683228067 541777957 /nfs/dbraw/zinc/77/79/57/541777957.db2.gz QNVXEYFLRRPKHY-LSDHHAIUSA-N 2 1 290.407 2.243 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000683228067 541777960 /nfs/dbraw/zinc/77/79/60/541777960.db2.gz QNVXEYFLRRPKHY-LSDHHAIUSA-N 2 1 290.407 2.243 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000635947176 369417470 /nfs/dbraw/zinc/41/74/70/369417470.db2.gz GAHRUGILKLXOBB-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)CC[NH3+])cc1)C(C)C ZINC000349972395 369471642 /nfs/dbraw/zinc/47/16/42/369471642.db2.gz ZKSLWPUVIIDYAW-AWEZNQCLSA-N 2 1 291.439 2.384 20 0 CEADMP O[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC000189368774 369506330 /nfs/dbraw/zinc/50/63/30/369506330.db2.gz IMEQVUPJQAOOPM-QWHCGFSZSA-N 2 1 294.361 2.250 20 0 CEADMP O[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC000189368774 369506333 /nfs/dbraw/zinc/50/63/33/369506333.db2.gz IMEQVUPJQAOOPM-QWHCGFSZSA-N 2 1 294.361 2.250 20 0 CEADMP OCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246430122 370961267 /nfs/dbraw/zinc/96/12/67/370961267.db2.gz COLJODAGWQMOFO-GOEBONIOSA-N 2 1 266.429 2.098 20 0 CEADMP OCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246430122 370961274 /nfs/dbraw/zinc/96/12/74/370961274.db2.gz COLJODAGWQMOFO-GOEBONIOSA-N 2 1 266.429 2.098 20 0 CEADMP C(C[NH+]1CCCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246490235 370968479 /nfs/dbraw/zinc/96/84/79/370968479.db2.gz HCKGXYDVRKSUJO-WMZOPIPTSA-N 2 1 291.483 2.421 20 0 CEADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358247725 370969540 /nfs/dbraw/zinc/96/95/40/370969540.db2.gz FMFGASZACLSQPC-UNEWFSDZSA-N 2 1 274.408 2.200 20 0 CEADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358247725 370969546 /nfs/dbraw/zinc/96/95/46/370969546.db2.gz FMFGASZACLSQPC-UNEWFSDZSA-N 2 1 274.408 2.200 20 0 CEADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358260631 370978766 /nfs/dbraw/zinc/97/87/66/370978766.db2.gz VKZINDIUDWMVAC-GDBMZVCRSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000358260631 370978770 /nfs/dbraw/zinc/97/87/70/370978770.db2.gz VKZINDIUDWMVAC-GDBMZVCRSA-N 2 1 262.397 2.021 20 0 CEADMP CC(C)(O)[C@H]1CCC[N@H+]1Cc1cccc2nccn21 ZINC000189573412 369540599 /nfs/dbraw/zinc/54/05/99/369540599.db2.gz UBAAWNPGAUICDH-CYBMUJFWSA-N 2 1 259.353 2.070 20 0 CEADMP CC[C@]1(CO)CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000189608216 369546489 /nfs/dbraw/zinc/54/64/89/369546489.db2.gz XAVFKPAFXKWAEU-OAHLLOKOSA-N 2 1 265.401 2.209 20 0 CEADMP CC[C@]1(CO)CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000189608216 369546496 /nfs/dbraw/zinc/54/64/96/369546496.db2.gz XAVFKPAFXKWAEU-OAHLLOKOSA-N 2 1 265.401 2.209 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000351517711 369640215 /nfs/dbraw/zinc/64/02/15/369640215.db2.gz KQZYUZSWGGMGLY-CWRNSKLLSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351517711 369640218 /nfs/dbraw/zinc/64/02/18/369640218.db2.gz KQZYUZSWGGMGLY-CWRNSKLLSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351517711 369640220 /nfs/dbraw/zinc/64/02/20/369640220.db2.gz KQZYUZSWGGMGLY-CWRNSKLLSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351517711 369640223 /nfs/dbraw/zinc/64/02/23/369640223.db2.gz KQZYUZSWGGMGLY-CWRNSKLLSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351517711 369640225 /nfs/dbraw/zinc/64/02/25/369640225.db2.gz KQZYUZSWGGMGLY-CWRNSKLLSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351603355 369643788 /nfs/dbraw/zinc/64/37/88/369643788.db2.gz KOHJJVGWXMZCKA-BPLDGKMQSA-N 2 1 268.445 2.246 20 0 CEADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351603355 369643796 /nfs/dbraw/zinc/64/37/96/369643796.db2.gz KOHJJVGWXMZCKA-BPLDGKMQSA-N 2 1 268.445 2.246 20 0 CEADMP CCCn1ccnc1CCC[N@@H+](C)CC(=O)N[C@H](C)CC ZINC000191520679 369719435 /nfs/dbraw/zinc/71/94/35/369719435.db2.gz ASPUYECOAHFJPO-CQSZACIVSA-N 2 1 294.443 2.072 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@H](C)CC ZINC000191520679 369719443 /nfs/dbraw/zinc/71/94/43/369719443.db2.gz ASPUYECOAHFJPO-CQSZACIVSA-N 2 1 294.443 2.072 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC[C@@H]1CCOC1=O ZINC000191511720 369720026 /nfs/dbraw/zinc/72/00/26/369720026.db2.gz OMEUMQGMUKDIBA-CQSZACIVSA-N 2 1 293.411 2.111 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC[C@@H]1CCOC1=O ZINC000191511720 369720030 /nfs/dbraw/zinc/72/00/30/369720030.db2.gz OMEUMQGMUKDIBA-CQSZACIVSA-N 2 1 293.411 2.111 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000191823169 369746540 /nfs/dbraw/zinc/74/65/40/369746540.db2.gz RZJVCNBSXWUWFH-CABCVRRESA-N 2 1 256.434 2.201 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NCCC1CCCCC1 ZINC000352478161 369748910 /nfs/dbraw/zinc/74/89/10/369748910.db2.gz TUAZSVPBBIQRFG-INIZCTEOSA-N 2 1 295.471 2.276 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NCCC1CCCCC1 ZINC000352478161 369748913 /nfs/dbraw/zinc/74/89/13/369748913.db2.gz TUAZSVPBBIQRFG-INIZCTEOSA-N 2 1 295.471 2.276 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)[NH+](C)C ZINC000192466512 369816394 /nfs/dbraw/zinc/81/63/94/369816394.db2.gz ICJMDFGCYRHSQP-QEJZJMRPSA-N 2 1 256.434 2.367 20 0 CEADMP COCCOc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000352533840 369776209 /nfs/dbraw/zinc/77/62/09/369776209.db2.gz ACRRWWIZZZQNIF-MRXNPFEDSA-N 2 1 292.423 2.415 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352534428 369776395 /nfs/dbraw/zinc/77/63/95/369776395.db2.gz GMOGQFJOIAPBKL-QGZVFWFLSA-N 2 1 290.455 2.120 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352534428 369776398 /nfs/dbraw/zinc/77/63/98/369776398.db2.gz GMOGQFJOIAPBKL-QGZVFWFLSA-N 2 1 290.455 2.120 20 0 CEADMP c1cc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c[nH]1 ZINC000192356301 369801232 /nfs/dbraw/zinc/80/12/32/369801232.db2.gz WZIGXRVZOXHFCH-SFHVURJKSA-N 2 1 299.418 2.395 20 0 CEADMP c1cc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c[nH]1 ZINC000192356301 369801240 /nfs/dbraw/zinc/80/12/40/369801240.db2.gz WZIGXRVZOXHFCH-SFHVURJKSA-N 2 1 299.418 2.395 20 0 CEADMP C=Cn1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)cn1 ZINC000194343835 370028100 /nfs/dbraw/zinc/02/81/00/370028100.db2.gz QXCJBZNYADHUGU-UHFFFAOYSA-N 2 1 262.401 2.195 20 0 CEADMP CSC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000193807617 369983256 /nfs/dbraw/zinc/98/32/56/369983256.db2.gz GFVSUTXYHOJWQD-QWHCGFSZSA-N 2 1 254.443 2.489 20 0 CEADMP CN(C)c1cccnc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353621002 370119477 /nfs/dbraw/zinc/11/94/77/370119477.db2.gz KHNGUWWBBKDFRH-FMKPAKJESA-N 2 1 288.439 2.110 20 0 CEADMP CN(C)c1cccnc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353621002 370119480 /nfs/dbraw/zinc/11/94/80/370119480.db2.gz KHNGUWWBBKDFRH-FMKPAKJESA-N 2 1 288.439 2.110 20 0 CEADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353673019 370122168 /nfs/dbraw/zinc/12/21/68/370122168.db2.gz QVCXSVJVSAXHSD-JARUQAPTSA-N 2 1 252.402 2.016 20 0 CEADMP CC[C@H](C)[C@@H](C[N@H+](C)C1CC[NH+](CC)CC1)OC ZINC000637887501 370147833 /nfs/dbraw/zinc/14/78/33/370147833.db2.gz TZCHJIZMZRINMA-DZGCQCFKSA-N 2 1 256.434 2.464 20 0 CEADMP CC[C@H](C)[C@@H](C[N@@H+](C)C1CC[NH+](CC)CC1)OC ZINC000637887501 370147835 /nfs/dbraw/zinc/14/78/35/370147835.db2.gz TZCHJIZMZRINMA-DZGCQCFKSA-N 2 1 256.434 2.464 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000353975475 370160321 /nfs/dbraw/zinc/16/03/21/370160321.db2.gz UZECOZIWDBDEGX-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000353975475 370160325 /nfs/dbraw/zinc/16/03/25/370160325.db2.gz UZECOZIWDBDEGX-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000353975475 370160332 /nfs/dbraw/zinc/16/03/32/370160332.db2.gz UZECOZIWDBDEGX-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000223555852 370267386 /nfs/dbraw/zinc/26/73/86/370267386.db2.gz ZGDKSKVEZLVTND-PWSUYJOCSA-N 2 1 252.333 2.091 20 0 CEADMP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000638070430 370280314 /nfs/dbraw/zinc/28/03/14/370280314.db2.gz XGJNGMURWNVWIH-KKUMJFAQSA-N 2 1 283.460 2.129 20 0 CEADMP CC(C)C1(C[NH+]2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000638081871 370285940 /nfs/dbraw/zinc/28/59/40/370285940.db2.gz DJRNRSASCHXLCR-UHFFFAOYSA-N 2 1 268.445 2.201 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc(OC)s2)C[C@H]1C ZINC000638112583 370308904 /nfs/dbraw/zinc/30/89/04/370308904.db2.gz YZGZKBNTUCAOHZ-NEPJUHHUSA-N 2 1 283.441 2.456 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCC(C)C ZINC000638117305 370315521 /nfs/dbraw/zinc/31/55/21/370315521.db2.gz SXPZWWKPMRLJFI-HUUCEWRRSA-N 2 1 283.460 2.131 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)CC[N@@H+]1C ZINC000226876750 370353695 /nfs/dbraw/zinc/35/36/95/370353695.db2.gz CKUQLMXDOWRKIU-TUVASFSCSA-N 2 1 284.469 2.113 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)CC[N@H+]1C ZINC000226876750 370353698 /nfs/dbraw/zinc/35/36/98/370353698.db2.gz CKUQLMXDOWRKIU-TUVASFSCSA-N 2 1 284.469 2.113 20 0 CEADMP CCC[C@@H](C[N@H+]1CC[C@H](C[NH+](C)CCC)C1)OC ZINC000638128225 370324064 /nfs/dbraw/zinc/32/40/64/370324064.db2.gz QSUCHTZORSQQFA-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP CCC[C@@H](C[NH+]1CC[C@H](C[N@H+](C)CCC)C1)OC ZINC000638128225 370324068 /nfs/dbraw/zinc/32/40/68/370324068.db2.gz QSUCHTZORSQQFA-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP CCC[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)CCC)C1)OC ZINC000638128225 370324074 /nfs/dbraw/zinc/32/40/74/370324074.db2.gz QSUCHTZORSQQFA-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP CC[C@H](C)[C@@H](C[N@H+]1CC[C@H](C[NH+](C)CC)C1)OC ZINC000638133425 370327843 /nfs/dbraw/zinc/32/78/43/370327843.db2.gz JXFOZUVFIMPZPQ-RRFJBIMHSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@H](C)[C@@H](C[NH+]1CC[C@H](C[N@H+](C)CC)C1)OC ZINC000638133425 370327848 /nfs/dbraw/zinc/32/78/48/370327848.db2.gz JXFOZUVFIMPZPQ-RRFJBIMHSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@H](C)[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)CC)C1)OC ZINC000638133425 370327853 /nfs/dbraw/zinc/32/78/53/370327853.db2.gz JXFOZUVFIMPZPQ-RRFJBIMHSA-N 2 1 256.434 2.321 20 0 CEADMP C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H]1CCC[NH2+]C1 ZINC000226435609 370342358 /nfs/dbraw/zinc/34/23/58/370342358.db2.gz WAKUHXPLXUYIAA-LBPRGKRZSA-N 2 1 254.324 2.396 20 0 CEADMP C[N@H+](Cc1ccc(F)c(F)c1)C[C@H]1CCC[NH2+]C1 ZINC000226435609 370342363 /nfs/dbraw/zinc/34/23/63/370342363.db2.gz WAKUHXPLXUYIAA-LBPRGKRZSA-N 2 1 254.324 2.396 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000354513705 370394904 /nfs/dbraw/zinc/39/49/04/370394904.db2.gz RVPNJARYVSEONC-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCC[NH+](CC)CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000354513705 370394908 /nfs/dbraw/zinc/39/49/08/370394908.db2.gz RVPNJARYVSEONC-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCC[NH+](CC)CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000354513705 370394910 /nfs/dbraw/zinc/39/49/10/370394910.db2.gz RVPNJARYVSEONC-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP C[N@H+]1CCC[C@H]1CNCc1cc(Cl)cc2c1OCC2 ZINC000228556198 370406019 /nfs/dbraw/zinc/40/60/19/370406019.db2.gz YQOAIWJICJBMFF-AWEZNQCLSA-N 2 1 280.799 2.459 20 0 CEADMP CC(C)[C@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000354648129 370450622 /nfs/dbraw/zinc/45/06/22/370450622.db2.gz LYIWDYBGUAMHSO-DLBZAZTESA-N 2 1 276.424 2.082 20 0 CEADMP CC(C)[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000354648129 370450625 /nfs/dbraw/zinc/45/06/25/370450625.db2.gz LYIWDYBGUAMHSO-DLBZAZTESA-N 2 1 276.424 2.082 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCC1CCOCC1 ZINC000638336120 370453322 /nfs/dbraw/zinc/45/33/22/370453322.db2.gz YTHAEHTXOISROT-ZDUSSCGKSA-N 2 1 265.401 2.234 20 0 CEADMP COCC[N@H+](C)CCC[NH2+]Cc1c(C)cccc1OC ZINC000638358768 370468106 /nfs/dbraw/zinc/46/81/06/370468106.db2.gz CEGXNGBSVVJKMK-UHFFFAOYSA-N 2 1 280.412 2.062 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1c(C)cccc1OC ZINC000638358768 370468111 /nfs/dbraw/zinc/46/81/11/370468111.db2.gz CEGXNGBSVVJKMK-UHFFFAOYSA-N 2 1 280.412 2.062 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)C[C@@H]21 ZINC000230045823 370437109 /nfs/dbraw/zinc/43/71/09/370437109.db2.gz UNNFBFVXWAGSKS-YESZJQIVSA-N 2 1 286.419 2.223 20 0 CEADMP Cc1ccc(CCC[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000354626236 370439397 /nfs/dbraw/zinc/43/93/97/370439397.db2.gz HGVCHANYKYTKMF-IRXDYDNUSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000354626236 370439401 /nfs/dbraw/zinc/43/94/01/370439401.db2.gz HGVCHANYKYTKMF-IRXDYDNUSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cn1 ZINC000354626236 370439404 /nfs/dbraw/zinc/43/94/04/370439404.db2.gz HGVCHANYKYTKMF-IRXDYDNUSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cn1 ZINC000354626236 370439406 /nfs/dbraw/zinc/43/94/06/370439406.db2.gz HGVCHANYKYTKMF-IRXDYDNUSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(F)c1N ZINC000638385706 370490935 /nfs/dbraw/zinc/49/09/35/370490935.db2.gz JCPAKIKSPPFJFA-UHFFFAOYSA-N 2 1 262.332 2.093 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000355202163 370547581 /nfs/dbraw/zinc/54/75/81/370547581.db2.gz BTNMBXMEKMHTNQ-GDBMZVCRSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000355202163 370547583 /nfs/dbraw/zinc/54/75/83/370547583.db2.gz BTNMBXMEKMHTNQ-GDBMZVCRSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000355202163 370547585 /nfs/dbraw/zinc/54/75/85/370547585.db2.gz BTNMBXMEKMHTNQ-GDBMZVCRSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000355202163 370547588 /nfs/dbraw/zinc/54/75/88/370547588.db2.gz BTNMBXMEKMHTNQ-GDBMZVCRSA-N 2 1 289.423 2.396 20 0 CEADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000355582418 370606493 /nfs/dbraw/zinc/60/64/93/370606493.db2.gz JXQNLSSPBZVOPJ-VFNXUKNFSA-N 2 1 277.456 2.076 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000236818006 370634425 /nfs/dbraw/zinc/63/44/25/370634425.db2.gz ZXHPSWOADGFLEX-INIZCTEOSA-N 2 1 291.439 2.272 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000358299002 371001264 /nfs/dbraw/zinc/00/12/64/371001264.db2.gz IVNAKHGEBYAICQ-ZJUUUORDSA-N 2 1 270.364 2.212 20 0 CEADMP C[C@H]1C[NH+](CCCCC[N@H+]2CCCO[C@@H](C)C2)CCCO1 ZINC000247110792 371066083 /nfs/dbraw/zinc/06/60/83/371066083.db2.gz VWLMEDBJRQFVNA-IRXDYDNUSA-N 2 1 298.471 2.378 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000639197354 371080954 /nfs/dbraw/zinc/08/09/54/371080954.db2.gz ICRRASJZUUGUTD-CQSZACIVSA-N 2 1 266.433 2.063 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000639197354 371080958 /nfs/dbraw/zinc/08/09/58/371080958.db2.gz ICRRASJZUUGUTD-CQSZACIVSA-N 2 1 266.433 2.063 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CC3CCSCC3)C2)C1 ZINC000639202668 371088933 /nfs/dbraw/zinc/08/89/33/371088933.db2.gz AHWHZSFJQBLMDV-AWEZNQCLSA-N 2 1 254.443 2.157 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CC3CCSCC3)C2)C1 ZINC000639202668 371088939 /nfs/dbraw/zinc/08/89/39/371088939.db2.gz AHWHZSFJQBLMDV-AWEZNQCLSA-N 2 1 254.443 2.157 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](CC3CCSCC3)C2)C1 ZINC000639202668 371088945 /nfs/dbraw/zinc/08/89/45/371088945.db2.gz AHWHZSFJQBLMDV-AWEZNQCLSA-N 2 1 254.443 2.157 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000639205428 371092886 /nfs/dbraw/zinc/09/28/86/371092886.db2.gz ZCOVUDVWLAIGIG-SOUVJXGZSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000639205428 371092890 /nfs/dbraw/zinc/09/28/90/371092890.db2.gz ZCOVUDVWLAIGIG-SOUVJXGZSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000639205428 371092894 /nfs/dbraw/zinc/09/28/94/371092894.db2.gz ZCOVUDVWLAIGIG-SOUVJXGZSA-N 2 1 254.418 2.075 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)ccn1 ZINC000639246316 371142385 /nfs/dbraw/zinc/14/23/85/371142385.db2.gz DAKSKCPGXCIZCZ-CQSZACIVSA-N 2 1 291.439 2.485 20 0 CEADMP Cc1ncsc1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247982329 371151991 /nfs/dbraw/zinc/15/19/91/371151991.db2.gz INCMNEFXJMBNJU-UONOGXRCSA-N 2 1 279.453 2.410 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247982329 371151996 /nfs/dbraw/zinc/15/19/96/371151996.db2.gz INCMNEFXJMBNJU-UONOGXRCSA-N 2 1 279.453 2.410 20 0 CEADMP Cc1ncsc1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247982329 371151999 /nfs/dbraw/zinc/15/19/99/371151999.db2.gz INCMNEFXJMBNJU-UONOGXRCSA-N 2 1 279.453 2.410 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)CC[N@@H+]1C ZINC000358648339 371155492 /nfs/dbraw/zinc/15/54/92/371155492.db2.gz IMSHFDABIWWQDA-OCCSQVGLSA-N 2 1 294.468 2.184 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)CC[N@H+]1C ZINC000358648339 371155494 /nfs/dbraw/zinc/15/54/94/371155494.db2.gz IMSHFDABIWWQDA-OCCSQVGLSA-N 2 1 294.468 2.184 20 0 CEADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247933457 371146378 /nfs/dbraw/zinc/14/63/78/371146378.db2.gz CGPQIWGYVCJUIN-COPLHBTASA-N 2 1 265.401 2.295 20 0 CEADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247933457 371146381 /nfs/dbraw/zinc/14/63/81/371146381.db2.gz CGPQIWGYVCJUIN-COPLHBTASA-N 2 1 265.401 2.295 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)OC ZINC000639257572 371158218 /nfs/dbraw/zinc/15/82/18/371158218.db2.gz PGIWFFBLTFSQMP-RRFJBIMHSA-N 2 1 256.434 2.369 20 0 CEADMP CO[C@@H](C)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248431255 371193810 /nfs/dbraw/zinc/19/38/10/371193810.db2.gz QBFJXVMGWPXLIT-DOTOQJQBSA-N 2 1 276.424 2.475 20 0 CEADMP CO[C@@H](C)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248431255 371193814 /nfs/dbraw/zinc/19/38/14/371193814.db2.gz QBFJXVMGWPXLIT-DOTOQJQBSA-N 2 1 276.424 2.475 20 0 CEADMP CO[C@@H](C)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248431255 371193818 /nfs/dbraw/zinc/19/38/18/371193818.db2.gz QBFJXVMGWPXLIT-DOTOQJQBSA-N 2 1 276.424 2.475 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248725851 371239743 /nfs/dbraw/zinc/23/97/43/371239743.db2.gz IESDOARSPFNNMU-LVQVYYBASA-N 2 1 278.440 2.266 20 0 CEADMP COC(C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)OC ZINC000248738041 371240556 /nfs/dbraw/zinc/24/05/56/371240556.db2.gz QGRZTLNQSQEWBO-CABCVRRESA-N 2 1 284.444 2.192 20 0 CEADMP COC(C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)OC ZINC000248738041 371240561 /nfs/dbraw/zinc/24/05/61/371240561.db2.gz QGRZTLNQSQEWBO-CABCVRRESA-N 2 1 284.444 2.192 20 0 CEADMP COC(C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)OC ZINC000248738041 371240567 /nfs/dbraw/zinc/24/05/67/371240567.db2.gz QGRZTLNQSQEWBO-CABCVRRESA-N 2 1 284.444 2.192 20 0 CEADMP COC(C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)OC ZINC000248738041 371240575 /nfs/dbraw/zinc/24/05/75/371240575.db2.gz QGRZTLNQSQEWBO-CABCVRRESA-N 2 1 284.444 2.192 20 0 CEADMP O[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639335860 371246356 /nfs/dbraw/zinc/24/63/56/371246356.db2.gz YJUPAHYVZOCZOE-LAQRGFTBSA-N 2 1 286.419 2.467 20 0 CEADMP O[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639335860 371246360 /nfs/dbraw/zinc/24/63/60/371246360.db2.gz YJUPAHYVZOCZOE-LAQRGFTBSA-N 2 1 286.419 2.467 20 0 CEADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)sn1 ZINC000639338760 371249580 /nfs/dbraw/zinc/24/95/80/371249580.db2.gz VVCIYQDJEJUKKV-CYBMUJFWSA-N 2 1 295.452 2.363 20 0 CEADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)sn1 ZINC000639338760 371249584 /nfs/dbraw/zinc/24/95/84/371249584.db2.gz VVCIYQDJEJUKKV-CYBMUJFWSA-N 2 1 295.452 2.363 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)O1 ZINC000248880002 371261697 /nfs/dbraw/zinc/26/16/97/371261697.db2.gz GDAXCKWNLQNIAS-OWCLPIDISA-N 2 1 266.429 2.362 20 0 CEADMP CC[C@@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000249170964 371304048 /nfs/dbraw/zinc/30/40/48/371304048.db2.gz BIODGFUALKTRFA-WNRNVDISSA-N 2 1 288.435 2.258 20 0 CEADMP Cc1cc2[nH]c(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc2c(C)c1 ZINC000359019054 371304969 /nfs/dbraw/zinc/30/49/69/371304969.db2.gz PDAGJRWWAAREGI-QGZVFWFLSA-N 2 1 289.423 2.187 20 0 CEADMP CC1CC[NH+](CCCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000249299997 371312175 /nfs/dbraw/zinc/31/21/75/371312175.db2.gz GCYBOWFTCWZFSA-IXDOHACOSA-N 2 1 281.488 2.427 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000249299997 371312193 /nfs/dbraw/zinc/31/21/93/371312193.db2.gz GCYBOWFTCWZFSA-IXDOHACOSA-N 3 1 281.488 2.427 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000249299997 371312201 /nfs/dbraw/zinc/31/22/01/371312201.db2.gz GCYBOWFTCWZFSA-IXDOHACOSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@H]1C[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000639502749 371367256 /nfs/dbraw/zinc/36/72/56/371367256.db2.gz HVEAZQGSEUGAQM-SOLBZPMBSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000639502749 371367261 /nfs/dbraw/zinc/36/72/61/371367261.db2.gz HVEAZQGSEUGAQM-SOLBZPMBSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H]1C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000639502749 371367265 /nfs/dbraw/zinc/36/72/65/371367265.db2.gz HVEAZQGSEUGAQM-SOLBZPMBSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H]1C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000639502749 371367272 /nfs/dbraw/zinc/36/72/72/371367272.db2.gz HVEAZQGSEUGAQM-SOLBZPMBSA-N 2 1 288.435 2.211 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250803999 371391645 /nfs/dbraw/zinc/39/16/45/371391645.db2.gz JWJOHEVCHZGWCV-IPYPFGDCSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250803999 371391649 /nfs/dbraw/zinc/39/16/49/371391649.db2.gz JWJOHEVCHZGWCV-IPYPFGDCSA-N 2 1 274.412 2.014 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000250874111 371393589 /nfs/dbraw/zinc/39/35/89/371393589.db2.gz NGRBNRWBMDSMRL-UONOGXRCSA-N 2 1 277.412 2.266 20 0 CEADMP COc1c(C)cnc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000250874111 371393592 /nfs/dbraw/zinc/39/35/92/371393592.db2.gz NGRBNRWBMDSMRL-UONOGXRCSA-N 2 1 277.412 2.266 20 0 CEADMP COc1c(C)cnc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000250874111 371393596 /nfs/dbraw/zinc/39/35/96/371393596.db2.gz NGRBNRWBMDSMRL-UONOGXRCSA-N 2 1 277.412 2.266 20 0 CEADMP Cc1ncsc1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000250962222 371395783 /nfs/dbraw/zinc/39/57/83/371395783.db2.gz SOYYXPCMKVINKU-JFGNBEQYSA-N 2 1 253.415 2.270 20 0 CEADMP Cc1ncsc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000250962222 371395790 /nfs/dbraw/zinc/39/57/90/371395790.db2.gz SOYYXPCMKVINKU-JFGNBEQYSA-N 2 1 253.415 2.270 20 0 CEADMP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N(C)C ZINC000251376424 371400452 /nfs/dbraw/zinc/40/04/52/371400452.db2.gz GXEBZIXNJNTQMH-LTIDMASMSA-N 2 1 281.488 2.473 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000251739841 371415778 /nfs/dbraw/zinc/41/57/78/371415778.db2.gz RGIAQMFRJSYGGZ-BRWVUGGUSA-N 2 1 279.472 2.229 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359212228 371376505 /nfs/dbraw/zinc/37/65/05/371376505.db2.gz GHOICNGFYIFASU-INIZCTEOSA-N 2 1 295.471 2.004 20 0 CEADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H](CCO)c1ccccc1 ZINC000359227190 371384438 /nfs/dbraw/zinc/38/44/38/371384438.db2.gz VRDQEWDKCLPDTR-QGZVFWFLSA-N 2 1 276.424 2.432 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000252888886 371488985 /nfs/dbraw/zinc/48/89/85/371488985.db2.gz BUGVVSATHAWUFA-WMLDXEAASA-N 2 1 284.407 2.302 20 0 CEADMP CC1(C)CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000252540779 371454906 /nfs/dbraw/zinc/45/49/06/371454906.db2.gz CZCQDFJBHMVCIX-SOUVJXGZSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000252540779 371454908 /nfs/dbraw/zinc/45/49/08/371454908.db2.gz CZCQDFJBHMVCIX-SOUVJXGZSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000252548260 371454966 /nfs/dbraw/zinc/45/49/66/371454966.db2.gz MIEXJTZITCVDFG-KBXIAJHMSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000252548260 371454968 /nfs/dbraw/zinc/45/49/68/371454968.db2.gz MIEXJTZITCVDFG-KBXIAJHMSA-N 2 1 252.402 2.018 20 0 CEADMP Clc1ccc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000252668621 371464227 /nfs/dbraw/zinc/46/42/27/371464227.db2.gz YPUSRCXLOLSKMY-QWRGUYRKSA-N 2 1 286.828 2.354 20 0 CEADMP CO[C@@H]1CC[N@H+](Cc2c(C)cccc2C)[C@H](C[NH3+])C1 ZINC000252769527 371476678 /nfs/dbraw/zinc/47/66/78/371476678.db2.gz JXZPFSOSXDNLGS-LSDHHAIUSA-N 2 1 262.397 2.242 20 0 CEADMP CO[C@@H]1CC[N@@H+](Cc2c(C)cccc2C)[C@H](C[NH3+])C1 ZINC000252769527 371476683 /nfs/dbraw/zinc/47/66/83/371476683.db2.gz JXZPFSOSXDNLGS-LSDHHAIUSA-N 2 1 262.397 2.242 20 0 CEADMP COC1(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000359736126 371482653 /nfs/dbraw/zinc/48/26/53/371482653.db2.gz NNRAOLJAXJVQRI-MRXNPFEDSA-N 2 1 298.471 2.162 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000360091020 371504919 /nfs/dbraw/zinc/50/49/19/371504919.db2.gz SXNRPHHLNJMVPG-QXSJWSMHSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000360091020 371504933 /nfs/dbraw/zinc/50/49/33/371504933.db2.gz SXNRPHHLNJMVPG-QXSJWSMHSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000360091020 371504940 /nfs/dbraw/zinc/50/49/40/371504940.db2.gz SXNRPHHLNJMVPG-QXSJWSMHSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cncc(OC)c2)C1 ZINC000253426295 371521470 /nfs/dbraw/zinc/52/14/70/371521470.db2.gz DSVUZONVDGCFFX-CQSZACIVSA-N 2 1 277.412 2.254 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000639768735 371557312 /nfs/dbraw/zinc/55/73/12/371557312.db2.gz UOPHIQBRHNCZST-DLBZAZTESA-N 2 1 274.408 2.062 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000639768735 371557317 /nfs/dbraw/zinc/55/73/17/371557317.db2.gz UOPHIQBRHNCZST-DLBZAZTESA-N 2 1 274.408 2.062 20 0 CEADMP CC1CC[NH+](CCN2CC[N@@H+](C)[C@H](C(C)(C)C)C2)CC1 ZINC000639747044 371539302 /nfs/dbraw/zinc/53/93/02/371539302.db2.gz POVGPTZOLBDGMR-INIZCTEOSA-N 2 1 281.488 2.380 20 0 CEADMP Cc1nc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(C)o1 ZINC000639755392 371547130 /nfs/dbraw/zinc/54/71/30/371547130.db2.gz JLMOZMZTBZLFAX-UHFFFAOYSA-N 2 1 263.385 2.209 20 0 CEADMP C[NH+]1CCC2(CC[N@H+](Cc3nccn3C(F)F)C2)CC1 ZINC000639759613 371547943 /nfs/dbraw/zinc/54/79/43/371547943.db2.gz DRLJACBRIORWRW-UHFFFAOYSA-N 2 1 284.354 2.196 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3nccn3C(F)F)C2)CC1 ZINC000639759613 371547951 /nfs/dbraw/zinc/54/79/51/371547951.db2.gz DRLJACBRIORWRW-UHFFFAOYSA-N 2 1 284.354 2.196 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(CO)cc3)C2)CC1 ZINC000639757675 371549016 /nfs/dbraw/zinc/54/90/16/371549016.db2.gz NSWZHZNYCUBPFS-UHFFFAOYSA-N 2 1 274.408 2.097 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684021 371493363 /nfs/dbraw/zinc/49/33/63/371493363.db2.gz QIDUJZWOVTWGEQ-QGZVFWFLSA-N 2 1 291.439 2.391 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000360964678 371567057 /nfs/dbraw/zinc/56/70/57/371567057.db2.gz WSEAKDSNDKJKJI-IIAWOOMASA-N 2 1 266.429 2.266 20 0 CEADMP COc1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1OC ZINC000361107492 371651833 /nfs/dbraw/zinc/65/18/33/371651833.db2.gz PXQPTEHIRBQWOS-LSDHHAIUSA-N 2 1 290.407 2.230 20 0 CEADMP CC(C)n1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261569575 371654200 /nfs/dbraw/zinc/65/42/00/371654200.db2.gz MTKYNBDIRFPGBQ-KKUMJFAQSA-N 2 1 262.401 2.023 20 0 CEADMP c1c2ccccc2oc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261581183 371661371 /nfs/dbraw/zinc/66/13/71/371661371.db2.gz FWXMTTAOGNBQQS-UONOGXRCSA-N 2 1 256.349 2.474 20 0 CEADMP c1c2ccccc2oc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261581183 371661373 /nfs/dbraw/zinc/66/13/73/371661373.db2.gz FWXMTTAOGNBQQS-UONOGXRCSA-N 2 1 256.349 2.474 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261585404 371661919 /nfs/dbraw/zinc/66/19/19/371661919.db2.gz IKLZOJSQXXBIMX-HOCLYGCPSA-N 2 1 260.381 2.269 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261585404 371661923 /nfs/dbraw/zinc/66/19/23/371661923.db2.gz IKLZOJSQXXBIMX-HOCLYGCPSA-N 2 1 260.381 2.269 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC3(C2)CCCCC3)n1 ZINC000261714910 371709208 /nfs/dbraw/zinc/70/92/08/371709208.db2.gz JSLWYZINSSHBKO-UHFFFAOYSA-N 2 1 278.400 2.420 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC3(C2)CCCCC3)n1 ZINC000261714910 371709213 /nfs/dbraw/zinc/70/92/13/371709213.db2.gz JSLWYZINSSHBKO-UHFFFAOYSA-N 2 1 278.400 2.420 20 0 CEADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@]1(C)CC[NH2+]C1 ZINC000261720104 371710573 /nfs/dbraw/zinc/71/05/73/371710573.db2.gz FVCSUMWMWYYXKI-MRXNPFEDSA-N 2 1 276.380 2.237 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)s1 ZINC000639997361 371722673 /nfs/dbraw/zinc/72/26/73/371722673.db2.gz YSDOEPGFXUQEFS-JTQLQIEISA-N 2 1 264.398 2.468 20 0 CEADMP C[N@@H+](Cc1ccno1)[C@@H]1CCCN(Cc2ccno2)CC1 ZINC000361234100 371729957 /nfs/dbraw/zinc/72/99/57/371729957.db2.gz IFTZXARNESYURJ-CYBMUJFWSA-N 2 1 290.367 2.149 20 0 CEADMP CN(Cc1ccno1)[C@@H]1CCC[N@H+](Cc2ccno2)CC1 ZINC000361234100 371729968 /nfs/dbraw/zinc/72/99/68/371729968.db2.gz IFTZXARNESYURJ-CYBMUJFWSA-N 2 1 290.367 2.149 20 0 CEADMP CN(Cc1ccno1)[C@@H]1CCC[N@@H+](Cc2ccno2)CC1 ZINC000361234100 371729974 /nfs/dbraw/zinc/72/99/74/371729974.db2.gz IFTZXARNESYURJ-CYBMUJFWSA-N 2 1 290.367 2.149 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](CCc2ccccn2)CC1 ZINC000640016302 371736102 /nfs/dbraw/zinc/73/61/02/371736102.db2.gz XLPBBGSMONJBAR-UHFFFAOYSA-N 2 1 261.413 2.430 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)s1 ZINC000261653565 371694402 /nfs/dbraw/zinc/69/44/02/371694402.db2.gz FIHUIUTWZOIAMT-AWEZNQCLSA-N 2 1 282.457 2.160 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)s1 ZINC000261653565 371694407 /nfs/dbraw/zinc/69/44/07/371694407.db2.gz FIHUIUTWZOIAMT-AWEZNQCLSA-N 2 1 282.457 2.160 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261667608 371697910 /nfs/dbraw/zinc/69/79/10/371697910.db2.gz ZQTIPYYUJQXGFS-INIZCTEOSA-N 2 1 260.381 2.018 20 0 CEADMP COCC[C@H]1CCCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261831673 371745099 /nfs/dbraw/zinc/74/50/99/371745099.db2.gz JEEAUNVQOJEJFQ-CABCVRRESA-N 2 1 254.418 2.125 20 0 CEADMP Nc1ncc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000261886378 371760785 /nfs/dbraw/zinc/76/07/85/371760785.db2.gz SCKLHHHELULJEF-FZMZJTMJSA-N 2 1 292.452 2.174 20 0 CEADMP Nc1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000261886378 371760791 /nfs/dbraw/zinc/76/07/91/371760791.db2.gz SCKLHHHELULJEF-FZMZJTMJSA-N 2 1 292.452 2.174 20 0 CEADMP Nc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000261886378 371760799 /nfs/dbraw/zinc/76/07/99/371760799.db2.gz SCKLHHHELULJEF-FZMZJTMJSA-N 2 1 292.452 2.174 20 0 CEADMP Nc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000261886378 371760801 /nfs/dbraw/zinc/76/08/01/371760801.db2.gz SCKLHHHELULJEF-FZMZJTMJSA-N 2 1 292.452 2.174 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@H](C)[NH3+])cc1 ZINC000261890443 371762535 /nfs/dbraw/zinc/76/25/35/371762535.db2.gz TUWLGWBEGYHDQM-NWDGAFQWSA-N 2 1 286.379 2.095 20 0 CEADMP COC(=O)C(C)(C)CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000261993931 371792337 /nfs/dbraw/zinc/79/23/37/371792337.db2.gz SPPYYJHAEUXJJB-UHFFFAOYSA-N 2 1 282.428 2.040 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000361299066 371769063 /nfs/dbraw/zinc/76/90/63/371769063.db2.gz GTZYFUKNLUFMGM-SJORKVTESA-N 2 1 282.472 2.447 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000361299066 371769069 /nfs/dbraw/zinc/76/90/69/371769069.db2.gz GTZYFUKNLUFMGM-SJORKVTESA-N 2 1 282.472 2.447 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000361299066 371769076 /nfs/dbraw/zinc/76/90/76/371769076.db2.gz GTZYFUKNLUFMGM-SJORKVTESA-N 2 1 282.472 2.447 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000262033433 371806275 /nfs/dbraw/zinc/80/62/75/371806275.db2.gz XKUQMDJAKHXDMJ-HRCADAONSA-N 2 1 288.439 2.097 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000262043084 371808977 /nfs/dbraw/zinc/80/89/77/371808977.db2.gz YPJFMGGXVODBKS-HNNXBMFYSA-N 2 1 284.407 2.351 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000262043084 371808982 /nfs/dbraw/zinc/80/89/82/371808982.db2.gz YPJFMGGXVODBKS-HNNXBMFYSA-N 2 1 284.407 2.351 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000262082786 371819543 /nfs/dbraw/zinc/81/95/43/371819543.db2.gz FMCRMKMRTAPHMA-HNNXBMFYSA-N 2 1 262.397 2.353 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262182701 371835694 /nfs/dbraw/zinc/83/56/94/371835694.db2.gz WWYHQGMYOXEMLR-KRWDZBQOSA-N 2 1 274.408 2.368 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262182701 371835699 /nfs/dbraw/zinc/83/56/99/371835699.db2.gz WWYHQGMYOXEMLR-KRWDZBQOSA-N 2 1 274.408 2.368 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc(-c4ccccc4)no3)C[C@H]21 ZINC000262295936 371847891 /nfs/dbraw/zinc/84/78/91/371847891.db2.gz NWJYYLJHJXAWKO-RRFJBIMHSA-N 2 1 298.390 2.296 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc(-c4ccccc4)no3)C[C@H]21 ZINC000262295936 371847895 /nfs/dbraw/zinc/84/78/95/371847895.db2.gz NWJYYLJHJXAWKO-RRFJBIMHSA-N 2 1 298.390 2.296 20 0 CEADMP [NH3+]C1(C(=O)N2CCC[N@H+](C3CCCC3)CC2)CCCCC1 ZINC000262648026 371891816 /nfs/dbraw/zinc/89/18/16/371891816.db2.gz PLNJCQFFLCUNIH-UHFFFAOYSA-N 2 1 293.455 2.125 20 0 CEADMP COc1cc(C[N@H+](C)CCCC[NH+]2CCCCC2)on1 ZINC000640533060 372021520 /nfs/dbraw/zinc/02/15/20/372021520.db2.gz BFEFOZSBBSKQIW-UHFFFAOYSA-N 2 1 281.400 2.381 20 0 CEADMP COc1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)on1 ZINC000640533060 372021528 /nfs/dbraw/zinc/02/15/28/372021528.db2.gz BFEFOZSBBSKQIW-UHFFFAOYSA-N 2 1 281.400 2.381 20 0 CEADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)CC(C)(C)[NH3+] ZINC000361717757 372037821 /nfs/dbraw/zinc/03/78/21/372037821.db2.gz IADZZWAQNYLIKW-ZDUSSCGKSA-N 2 1 292.427 2.125 20 0 CEADMP COC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000361928064 372133047 /nfs/dbraw/zinc/13/30/47/372133047.db2.gz UZLBXUVZDNYRSB-VXGQWTEUSA-N 2 1 254.418 2.121 20 0 CEADMP COc1cccc2c1CC[C@H]2[NH2+]CCn1cc[nH+]c1C ZINC000268823936 372242158 /nfs/dbraw/zinc/24/21/58/372242158.db2.gz QHNMFMDTQBJZOQ-OAHLLOKOSA-N 2 1 271.364 2.477 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c(C)c1 ZINC000268804330 372229764 /nfs/dbraw/zinc/22/97/64/372229764.db2.gz CBCXRSDUWFISGY-HOTGVXAUSA-N 2 1 276.424 2.411 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2F)CC[N@@H+]1C ZINC000268699958 372185047 /nfs/dbraw/zinc/18/50/47/372185047.db2.gz AWHVFYBBOCYKGH-OLZOCXBDSA-N 2 1 266.360 2.277 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2F)CC[N@H+]1C ZINC000268699958 372185056 /nfs/dbraw/zinc/18/50/56/372185056.db2.gz AWHVFYBBOCYKGH-OLZOCXBDSA-N 2 1 266.360 2.277 20 0 CEADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cnn(C)c1 ZINC000268837566 372247711 /nfs/dbraw/zinc/24/77/11/372247711.db2.gz GXMZBRPDRZBICV-AWEZNQCLSA-N 2 1 261.373 2.056 20 0 CEADMP C[C@H](CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268844634 372251320 /nfs/dbraw/zinc/25/13/20/372251320.db2.gz OLJFTVMGKAHEOO-ZOBUZTSGSA-N 2 1 276.424 2.115 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000268847790 372253645 /nfs/dbraw/zinc/25/36/45/372253645.db2.gz PBCBLOAIXFTSDB-KMFMINBZSA-N 2 1 294.414 2.049 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@](C)(CC)C2)CC1 ZINC000362391627 372346311 /nfs/dbraw/zinc/34/63/11/372346311.db2.gz SHJZNLIBASTNHN-WBVHZDCISA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@](C)(CC)C2)CC1 ZINC000362391627 372346313 /nfs/dbraw/zinc/34/63/13/372346313.db2.gz SHJZNLIBASTNHN-WBVHZDCISA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000362975410 372599674 /nfs/dbraw/zinc/59/96/74/372599674.db2.gz FOLJRPYRLBAAQH-XQLPTFJDSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641740752 372674899 /nfs/dbraw/zinc/67/48/99/372674899.db2.gz CFNAUMDNQMYURH-AWEZNQCLSA-N 2 1 276.428 2.121 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641740752 372674906 /nfs/dbraw/zinc/67/49/06/372674906.db2.gz CFNAUMDNQMYURH-AWEZNQCLSA-N 2 1 276.428 2.121 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641774681 372717701 /nfs/dbraw/zinc/71/77/01/372717701.db2.gz SEEWCHCQWIVZOR-ZDUSSCGKSA-N 2 1 288.395 2.090 20 0 CEADMP CCc1noc(C2CCC([NH2+][C@@H]3C[NH2+]CC[C@@H]3C)CC2)n1 ZINC000333103123 205031363 /nfs/dbraw/zinc/03/13/63/205031363.db2.gz FCVMTSAXZHTXIS-GFJIZPEISA-N 2 1 292.427 2.246 20 0 CEADMP Cc1sc(NC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c(C)c1C ZINC000641801920 372743491 /nfs/dbraw/zinc/74/34/91/372743491.db2.gz GWNAMIOQJNMSKZ-VXGBXAGGSA-N 2 1 295.452 2.327 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cccnc1C(F)(F)F ZINC000641800868 372743727 /nfs/dbraw/zinc/74/37/27/372743727.db2.gz HNFCYTKOJXSUNP-ZJUUUORDSA-N 2 1 273.302 2.316 20 0 CEADMP CC1(C)[C@H]([NH2+]Cc2ccc(Br)cn2)C[C@@H]1[NH3+] ZINC000641802028 372745230 /nfs/dbraw/zinc/74/52/30/372745230.db2.gz GXKUKKMINKHVCG-WDEREUQCSA-N 2 1 284.201 2.060 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641802704 372746414 /nfs/dbraw/zinc/74/64/14/372746414.db2.gz AUFDELZHVALMJW-AEGPPILISA-N 2 1 289.423 2.346 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000641802025 372746694 /nfs/dbraw/zinc/74/66/94/372746694.db2.gz GXKUKKMINKHVCG-GHMZBOCLSA-N 2 1 284.201 2.060 20 0 CEADMP CCN(C(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641803303 372747476 /nfs/dbraw/zinc/74/74/76/372747476.db2.gz BTTYFRCHVYMRKU-AEGPPILISA-N 2 1 289.423 2.143 20 0 CEADMP [NH3+]C1CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000333158056 205078844 /nfs/dbraw/zinc/07/88/44/205078844.db2.gz NHZNSZNWNVKDJT-BACDZXNISA-N 3 1 273.424 2.339 20 0 CEADMP CCC(F)(F)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000641824648 372767394 /nfs/dbraw/zinc/76/73/94/372767394.db2.gz WEYVQQXTCONKND-YNEHKIRRSA-N 2 1 276.371 2.250 20 0 CEADMP CCC(F)(F)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000641824648 372767398 /nfs/dbraw/zinc/76/73/98/372767398.db2.gz WEYVQQXTCONKND-YNEHKIRRSA-N 2 1 276.371 2.250 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000641825542 372769317 /nfs/dbraw/zinc/76/93/17/372769317.db2.gz YXDARYDVGFUADB-BBRMVZONSA-N 2 1 277.412 2.496 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000641825542 372769320 /nfs/dbraw/zinc/76/93/20/372769320.db2.gz YXDARYDVGFUADB-BBRMVZONSA-N 2 1 277.412 2.496 20 0 CEADMP Cc1csc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000333181636 205096850 /nfs/dbraw/zinc/09/68/50/205096850.db2.gz SBRDLGAXOBHAJA-ZFWWWQNUSA-N 2 1 295.452 2.170 20 0 CEADMP C[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000344637717 217259241 /nfs/dbraw/zinc/25/92/41/217259241.db2.gz FYMGKZYTQSKXFU-KLHDSHLOSA-N 2 1 295.471 2.238 20 0 CEADMP C[NH+](C)[C@H](C[NH2+]C1CCC(O)CC1)C1CCCCC1 ZINC000353465865 220099250 /nfs/dbraw/zinc/09/92/50/220099250.db2.gz VYKVJAWPCCCODN-UYSNPLJNSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@H]([NH2+]CC1(C(N)=O)CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000333284622 205182390 /nfs/dbraw/zinc/18/23/90/205182390.db2.gz NBHSAEAUZSXDJE-RYUDHWBXSA-N 2 1 253.390 2.202 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2nccs2)[C@@H]2CCC[C@H]21 ZINC000353491107 220115253 /nfs/dbraw/zinc/11/52/53/220115253.db2.gz IUYQKITTWGJOEB-RWMBFGLXSA-N 2 1 265.426 2.148 20 0 CEADMP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)C[C@H]1CCOC1 ZINC000643056771 372937164 /nfs/dbraw/zinc/93/71/64/372937164.db2.gz BEQYOACDDHCMPQ-ZBFHGGJFSA-N 2 1 292.423 2.096 20 0 CEADMP COCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000643057550 372938872 /nfs/dbraw/zinc/93/88/72/372938872.db2.gz PWISTVWYCZGSMH-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](CCO)CC(C)(C)C)cc1 ZINC000643057870 372939059 /nfs/dbraw/zinc/93/90/59/372939059.db2.gz PMUOJWBLDYSTKJ-HNNXBMFYSA-N 2 1 294.439 2.078 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(CCCC(=O)OC(C)(C)C)C2)C1 ZINC000366484998 373065755 /nfs/dbraw/zinc/06/57/55/373065755.db2.gz UXHHBZOBZTWQIN-MRXNPFEDSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCCC(=O)OC(C)(C)C)C2)C1 ZINC000366484998 373065762 /nfs/dbraw/zinc/06/57/62/373065762.db2.gz UXHHBZOBZTWQIN-MRXNPFEDSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCC(=O)OC(C)(C)C)C2)C1 ZINC000366484998 373065771 /nfs/dbraw/zinc/06/57/71/373065771.db2.gz UXHHBZOBZTWQIN-MRXNPFEDSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000643483927 373151524 /nfs/dbraw/zinc/15/15/24/373151524.db2.gz RAGPYPAAYIMGLF-YGRLFVJLSA-N 2 1 254.324 2.095 20 0 CEADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[NH2+]C1CC1 ZINC000643505882 373164518 /nfs/dbraw/zinc/16/45/18/373164518.db2.gz CIQGWOMVPMLATO-LBPRGKRZSA-N 2 1 276.380 2.078 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000366769700 373123058 /nfs/dbraw/zinc/12/30/58/373123058.db2.gz HRYRRSBHHABWEV-LVQVYYBASA-N 2 1 298.496 2.219 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CCCC[C@H]3O)C2)CC1 ZINC000366909773 373128923 /nfs/dbraw/zinc/12/89/23/373128923.db2.gz GUMIIPNXLKRAIV-HUUCEWRRSA-N 2 1 266.429 2.098 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000643463002 373132063 /nfs/dbraw/zinc/13/20/63/373132063.db2.gz YJMYWDFWBUVJHT-OSAQELSMSA-N 2 1 295.377 2.274 20 0 CEADMP CC(C)Oc1ncccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000643471964 373141871 /nfs/dbraw/zinc/14/18/71/373141871.db2.gz ZWNDQZWHJPNSMC-RYUDHWBXSA-N 2 1 251.374 2.084 20 0 CEADMP C1C[C@@H](N[C@H]2CCC[NH2+]CC2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000643523083 373177159 /nfs/dbraw/zinc/17/71/59/373177159.db2.gz WRAQPZMQZGMSRF-CAOSSQGBSA-N 2 1 265.445 2.029 20 0 CEADMP c1c[nH]c([C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)c2ccccc2)n1 ZINC000643535076 373192372 /nfs/dbraw/zinc/19/23/72/373192372.db2.gz IPLHGFZLKHUFDR-LSDHHAIUSA-N 2 1 282.391 2.231 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000344943248 217363398 /nfs/dbraw/zinc/36/33/98/217363398.db2.gz GKRQIUJRLBHHSN-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1cnc3ccccn13)CC[NH2+]CC2 ZINC000643973780 373316607 /nfs/dbraw/zinc/31/66/07/373316607.db2.gz NADPHYQZMACONF-AWEZNQCLSA-N 2 1 284.407 2.298 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)[C@@H]2CCC[C@@H]21 ZINC000353610020 220188584 /nfs/dbraw/zinc/18/85/84/220188584.db2.gz VNNHOOFQBDXDNV-SRVKXCTJSA-N 2 1 258.356 2.494 20 0 CEADMP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)Nc1ccccc1 ZINC000644521979 373508325 /nfs/dbraw/zinc/50/83/25/373508325.db2.gz MKWOCPMOUYJNOR-HOTGVXAUSA-N 2 1 287.407 2.232 20 0 CEADMP O=C(CC[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)Nc1ccccc1 ZINC000644521979 373508331 /nfs/dbraw/zinc/50/83/31/373508331.db2.gz MKWOCPMOUYJNOR-HOTGVXAUSA-N 2 1 287.407 2.232 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCC2)[C@@H]2CCC[C@H]21 ZINC000353630930 220204684 /nfs/dbraw/zinc/20/46/84/220204684.db2.gz JPZXEJUFMCYGGW-SOUVJXGZSA-N 2 1 266.429 2.002 20 0 CEADMP CC(C)[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000369851085 373524257 /nfs/dbraw/zinc/52/42/57/373524257.db2.gz IKWLVMYHSWIOFJ-UHFFFAOYSA-N 3 1 267.461 2.181 20 0 CEADMP COC(=O)[C@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000370160462 373593501 /nfs/dbraw/zinc/59/35/01/373593501.db2.gz GWTGVAOFJJABIG-HZPDHXFCSA-N 2 1 296.455 2.384 20 0 CEADMP C[C@@H]([NH2+]CCn1ccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272553273 373548351 /nfs/dbraw/zinc/54/83/51/373548351.db2.gz SXSBLEUOBBBAMR-AEFFLSMTSA-N 2 1 298.434 2.383 20 0 CEADMP CC[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000370048015 373565250 /nfs/dbraw/zinc/56/52/50/373565250.db2.gz VTNIFJGROIVNKN-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC000353647804 220219667 /nfs/dbraw/zinc/21/96/67/220219667.db2.gz HNYIIJQIDACJNY-KRWDZBQOSA-N 2 1 291.439 2.323 20 0 CEADMP Cc1cc(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)ccn1 ZINC000272737797 373635391 /nfs/dbraw/zinc/63/53/91/373635391.db2.gz QLCGFYIMSDZOFD-GFCCVEGCSA-N 2 1 274.368 2.162 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1C ZINC000262107533 220222540 /nfs/dbraw/zinc/22/25/40/220222540.db2.gz WBKZWYLZNYYKCW-INIZCTEOSA-N 2 1 276.428 2.095 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1C ZINC000262107533 220222545 /nfs/dbraw/zinc/22/25/45/220222545.db2.gz WBKZWYLZNYYKCW-INIZCTEOSA-N 2 1 276.428 2.095 20 0 CEADMP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000247168600 220219054 /nfs/dbraw/zinc/21/90/54/220219054.db2.gz YHILVGQFIFVZHV-HGTKMLMNSA-N 2 1 278.444 2.146 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000247168600 220219055 /nfs/dbraw/zinc/21/90/55/220219055.db2.gz YHILVGQFIFVZHV-HGTKMLMNSA-N 3 1 278.444 2.146 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000247168600 220219057 /nfs/dbraw/zinc/21/90/57/220219057.db2.gz YHILVGQFIFVZHV-HGTKMLMNSA-N 3 1 278.444 2.146 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(c2cccc(-n3ccnc3C)n2)C1 ZINC000370608825 373695480 /nfs/dbraw/zinc/69/54/80/373695480.db2.gz QPDFWZPTJAIWLT-OAHLLOKOSA-N 2 1 299.422 2.354 20 0 CEADMP CC[N@H+](C)C[C@H]1CCN(c2cccc(-n3cc[nH+]c3C)n2)C1 ZINC000370608825 373695484 /nfs/dbraw/zinc/69/54/84/373695484.db2.gz QPDFWZPTJAIWLT-OAHLLOKOSA-N 2 1 299.422 2.354 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(c2cccc(-n3cc[nH+]c3C)n2)C1 ZINC000370608825 373695489 /nfs/dbraw/zinc/69/54/89/373695489.db2.gz QPDFWZPTJAIWLT-OAHLLOKOSA-N 2 1 299.422 2.354 20 0 CEADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCF)CC2)CC1 ZINC000370620698 373699853 /nfs/dbraw/zinc/69/98/53/373699853.db2.gz WACQGHSVNHHCKC-UHFFFAOYSA-N 2 1 299.478 2.474 20 0 CEADMP C[N@H+](CCCF)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370620698 373699856 /nfs/dbraw/zinc/69/98/56/373699856.db2.gz WACQGHSVNHHCKC-UHFFFAOYSA-N 3 1 299.478 2.474 20 0 CEADMP C[N@@H+](CCCF)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370620698 373699858 /nfs/dbraw/zinc/69/98/58/373699858.db2.gz WACQGHSVNHHCKC-UHFFFAOYSA-N 3 1 299.478 2.474 20 0 CEADMP CCc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(C)n1 ZINC000272899324 373700094 /nfs/dbraw/zinc/70/00/94/373700094.db2.gz PFPNNKNBOONDHS-GWCFXTLKSA-N 2 1 260.385 2.385 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000370650863 373707306 /nfs/dbraw/zinc/70/73/06/373707306.db2.gz GQOCYMHSXHEPGT-GOEBONIOSA-N 2 1 299.422 2.087 20 0 CEADMP CCSCC[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000273831701 373773760 /nfs/dbraw/zinc/77/37/60/373773760.db2.gz YOLBAGIJCBPGFF-UHFFFAOYSA-N 2 1 294.468 2.405 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[Si](C)(C)C ZINC000371293281 373834934 /nfs/dbraw/zinc/83/49/34/373834934.db2.gz GGYHXPAEVQRFOZ-MCIONIFRSA-N 2 1 270.493 2.047 20 0 CEADMP C[N@@H+]1CCN(CC[NH2+]Cc2ccco2)[C@H](c2ccccc2)C1 ZINC000371438284 373881747 /nfs/dbraw/zinc/88/17/47/373881747.db2.gz FGGKYPPURLCAIU-SFHVURJKSA-N 2 1 299.418 2.358 20 0 CEADMP CC[N@H+](C)C[C@@H]1CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)C1 ZINC000645181453 373899273 /nfs/dbraw/zinc/89/92/73/373899273.db2.gz GZRVXVCUVYPZJM-ZDUSSCGKSA-N 2 1 287.411 2.353 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)C1 ZINC000645181453 373899278 /nfs/dbraw/zinc/89/92/78/373899278.db2.gz GZRVXVCUVYPZJM-ZDUSSCGKSA-N 2 1 287.411 2.353 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000371403562 373870155 /nfs/dbraw/zinc/87/01/55/373870155.db2.gz UMHHPYOGMAYTNJ-CABCVRRESA-N 2 1 274.408 2.436 20 0 CEADMP CO[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000372064623 374035822 /nfs/dbraw/zinc/03/58/22/374035822.db2.gz GUTAXJVVARSXLU-CABCVRRESA-N 2 1 291.439 2.102 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC1=CCCC1 ZINC000645837981 374214786 /nfs/dbraw/zinc/21/47/86/374214786.db2.gz XGYZNHBPJMOYCM-PMPSAXMXSA-N 2 1 264.413 2.280 20 0 CEADMP COC(=O)[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC12CCC2 ZINC000373178141 374284610 /nfs/dbraw/zinc/28/46/10/374284610.db2.gz GKURFJZFMLCUMG-OAHLLOKOSA-N 2 1 294.439 2.138 20 0 CEADMP COc1cccc(OCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277264236 374458208 /nfs/dbraw/zinc/45/82/08/374458208.db2.gz REZMSOBWNJNQSH-OAHLLOKOSA-N 2 1 292.423 2.490 20 0 CEADMP COc1cccc(OCC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277264236 374458212 /nfs/dbraw/zinc/45/82/12/374458212.db2.gz REZMSOBWNJNQSH-OAHLLOKOSA-N 2 1 292.423 2.490 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)N1CCC(c2c[nH]cn2)CC1 ZINC000374201977 374510059 /nfs/dbraw/zinc/51/00/59/374510059.db2.gz YFHWAYAMSQLXMC-STQMWFEESA-N 2 1 292.427 2.282 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1ccno1)CC2)C1CC1 ZINC000374289980 374533273 /nfs/dbraw/zinc/53/32/73/374533273.db2.gz XOFXLXXDUMRPKS-ZDUSSCGKSA-N 2 1 275.396 2.371 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1ncc[nH]1)CC2)C1CC1 ZINC000374317789 374538876 /nfs/dbraw/zinc/53/88/76/374538876.db2.gz NVWXRTJUVSKPFF-ZDUSSCGKSA-N 2 1 274.412 2.106 20 0 CEADMP F[C@]1(c2ccccc2)CCN(CCn2ccnc2)C1 ZINC000374521152 374588310 /nfs/dbraw/zinc/58/83/10/374588310.db2.gz OQMQYAUHFYSRBI-OAHLLOKOSA-N 2 1 259.328 2.454 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000374631317 374618529 /nfs/dbraw/zinc/61/85/29/374618529.db2.gz NBPQFRRJKQFXMV-INIZCTEOSA-N 2 1 277.412 2.330 20 0 CEADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1O ZINC000377833055 374961095 /nfs/dbraw/zinc/96/10/95/374961095.db2.gz DCBVUZDTQNJXOH-HUUCEWRRSA-N 2 1 290.407 2.317 20 0 CEADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1O ZINC000377833055 374961106 /nfs/dbraw/zinc/96/11/06/374961106.db2.gz DCBVUZDTQNJXOH-HUUCEWRRSA-N 2 1 290.407 2.317 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000279947454 375041111 /nfs/dbraw/zinc/04/11/11/375041111.db2.gz BMRFJLSOQHKKGP-OAHLLOKOSA-N 2 1 299.422 2.216 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1 ZINC000684382904 541989582 /nfs/dbraw/zinc/98/95/82/541989582.db2.gz ZBGUXIPXZXYRDE-SJORKVTESA-N 2 1 298.471 2.423 20 0 CEADMP CCOC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000378356999 375082266 /nfs/dbraw/zinc/08/22/66/375082266.db2.gz UYHODPQPPUEMEO-UONOGXRCSA-N 2 1 294.439 2.134 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000253192865 189986541 /nfs/dbraw/zinc/98/65/41/189986541.db2.gz NSVITCBQLHEVJT-CZUORRHYSA-N 2 1 262.397 2.250 20 0 CEADMP C[N@H+](CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C1CCCC1 ZINC000378294876 375063293 /nfs/dbraw/zinc/06/32/93/375063293.db2.gz QOOAAWKMHNXDIV-ARFHVFGLSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@@H+](CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C1CCCC1 ZINC000378294876 375063298 /nfs/dbraw/zinc/06/32/98/375063298.db2.gz QOOAAWKMHNXDIV-ARFHVFGLSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378911863 375149059 /nfs/dbraw/zinc/14/90/59/375149059.db2.gz SOWXVVUNALTZBA-BZZMCLGOSA-N 2 1 288.435 2.400 20 0 CEADMP CC1(C)[C@@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C[C@@H]21 ZINC000379550355 375154699 /nfs/dbraw/zinc/15/46/99/375154699.db2.gz NWOGLKRZGOSALY-IYBDPMFKSA-N 2 1 256.393 2.420 20 0 CEADMP C[C@@H]1C[C@H](NC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379626560 375154759 /nfs/dbraw/zinc/15/47/59/375154759.db2.gz HHJJIXPHBKOXRY-CRAIPNDOSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@H](C)O ZINC000379651490 375157161 /nfs/dbraw/zinc/15/71/61/375157161.db2.gz UPEHDZZJAOBMHX-ZNMIVQPWSA-N 2 1 264.413 2.256 20 0 CEADMP COc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(OC)c1 ZINC000380413260 375162921 /nfs/dbraw/zinc/16/29/21/375162921.db2.gz UUTIYZNFNMVBLV-MLGOLLRUSA-N 2 1 278.396 2.121 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000381614976 375176819 /nfs/dbraw/zinc/17/68/19/375176819.db2.gz XBFGEWGUARJVJT-STQMWFEESA-N 2 1 299.459 2.362 20 0 CEADMP C[N@H+](Cc1ncc[nH]1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378537316 375125291 /nfs/dbraw/zinc/12/52/91/375125291.db2.gz WBEOXDPQIYCEJN-UHFFFAOYSA-N 2 1 285.395 2.153 20 0 CEADMP C[C@@H](c1ccccc1)N(C)Cc1nc(C(C)(C)N)no1 ZINC000383692115 375205243 /nfs/dbraw/zinc/20/52/43/375205243.db2.gz FMPIGEWGLQFGKH-NSHDSACASA-N 2 1 274.368 2.456 20 0 CEADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000384287305 375209327 /nfs/dbraw/zinc/20/93/27/375209327.db2.gz DAWAWAWKBSZLDH-USXIJHARSA-N 2 1 276.424 2.478 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000389870993 375307905 /nfs/dbraw/zinc/30/79/05/375307905.db2.gz PWRKLCZAQPVXMH-XYVMCAHJSA-N 2 1 287.451 2.095 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000389870993 375307907 /nfs/dbraw/zinc/30/79/07/375307907.db2.gz PWRKLCZAQPVXMH-XYVMCAHJSA-N 2 1 287.451 2.095 20 0 CEADMP C[C@H]([NH2+]CCc1cccc(F)c1)[C@H]1CCCC[NH2+]1 ZINC000386554436 375262717 /nfs/dbraw/zinc/26/27/17/375262717.db2.gz HOZUAHXYLFVFGR-SWLSCSKDSA-N 2 1 250.361 2.488 20 0 CEADMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)sn1 ZINC000399077273 375357315 /nfs/dbraw/zinc/35/73/15/375357315.db2.gz QTZZMHBATGJPGX-YOGCLGLASA-N 2 1 281.425 2.257 20 0 CEADMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)sn1 ZINC000399077273 375357319 /nfs/dbraw/zinc/35/73/19/375357319.db2.gz QTZZMHBATGJPGX-YOGCLGLASA-N 2 1 281.425 2.257 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399074251 375357370 /nfs/dbraw/zinc/35/73/70/375357370.db2.gz OUHOZUXHYLHRJB-LMSBXDPUSA-N 2 1 287.451 2.237 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000282415343 375478386 /nfs/dbraw/zinc/47/83/86/375478386.db2.gz SITNYGMPDKXBDQ-AWEZNQCLSA-N 2 1 279.428 2.265 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414185129 375800374 /nfs/dbraw/zinc/80/03/74/375800374.db2.gz OGWYNHNHVWOGAE-DZGCQCFKSA-N 2 1 276.428 2.119 20 0 CEADMP COC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000414189283 375800589 /nfs/dbraw/zinc/80/05/89/375800589.db2.gz RSTAULSXHFQXIO-NEADZQPHSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)OCC1CC1 ZINC000414276322 375816149 /nfs/dbraw/zinc/81/61/49/375816149.db2.gz VLIMPLPTGCOXOO-HUUCEWRRSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)[C@@H](C)C1 ZINC000414305169 375829857 /nfs/dbraw/zinc/82/98/57/375829857.db2.gz FMBFSRLXHNZDMZ-LXZKKBNFSA-N 2 1 294.414 2.222 20 0 CEADMP Cn1cc[nH+]c1CC1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414700419 375929194 /nfs/dbraw/zinc/92/91/94/375929194.db2.gz SMVPCQMCZZNICI-UHFFFAOYSA-N 2 1 278.444 2.063 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)C1CC1 ZINC000414811830 375997884 /nfs/dbraw/zinc/99/78/84/375997884.db2.gz WRBXLJBYPPKKHE-CYBMUJFWSA-N 2 1 288.313 2.455 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1c(C)cc(OC)nc1C ZINC000414811215 375998198 /nfs/dbraw/zinc/99/81/98/375998198.db2.gz PGJHOPHUXBNZHD-UHFFFAOYSA-N 2 1 265.401 2.314 20 0 CEADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c1C ZINC000414814500 376001572 /nfs/dbraw/zinc/00/15/72/376001572.db2.gz ZDCYQSNJJAIWHA-WBMJQRKESA-N 2 1 289.423 2.347 20 0 CEADMP CC(C)C[N@H+](Cc1cnn(C)c1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415090659 376018849 /nfs/dbraw/zinc/01/88/49/376018849.db2.gz AXZHABPJTZTVOU-LSDHHAIUSA-N 2 1 278.444 2.266 20 0 CEADMP C[C@@H]1C[C@H](N[C@H](C[NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000414798933 375982360 /nfs/dbraw/zinc/98/23/60/375982360.db2.gz CQFNOBSATDRGNR-ZTFGCOKTSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414803959 375989169 /nfs/dbraw/zinc/98/91/69/375989169.db2.gz JYXXWUAZVOQCAH-HZMBPMFUSA-N 2 1 295.814 2.384 20 0 CEADMP CCc1nc(C)cc(NCCC[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000287792228 376315882 /nfs/dbraw/zinc/31/58/82/376315882.db2.gz OWKLGDIWEZDXFV-AWEZNQCLSA-N 2 1 292.427 2.260 20 0 CEADMP CCc1nc(NCCC[N@H+]2CCCO[C@@H](C)C2)cc(C)[nH+]1 ZINC000287792228 376315895 /nfs/dbraw/zinc/31/58/95/376315895.db2.gz OWKLGDIWEZDXFV-AWEZNQCLSA-N 2 1 292.427 2.260 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOCC2CCC2)C1 ZINC000419214814 376398007 /nfs/dbraw/zinc/39/80/07/376398007.db2.gz KTELPQHXEFAIDR-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOCC2CCC2)C1 ZINC000419214814 376398010 /nfs/dbraw/zinc/39/80/10/376398010.db2.gz KTELPQHXEFAIDR-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC000419214814 376398014 /nfs/dbraw/zinc/39/80/14/376398014.db2.gz KTELPQHXEFAIDR-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOCC2CCC2)C1 ZINC000419214814 376398016 /nfs/dbraw/zinc/39/80/16/376398016.db2.gz KTELPQHXEFAIDR-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CC[C@@H](C(=O)N1CCC[N@@H+](C)C[C@H]1CC)[NH+](CC)CC ZINC000684867928 542081479 /nfs/dbraw/zinc/08/14/79/542081479.db2.gz TXSJKNINRWTJIK-CABCVRRESA-N 2 1 283.460 2.050 20 0 CEADMP Cc1cc(C)n2c(C[NH2+]CC3([NH3+])CCCCC3)cnc2n1 ZINC000556935019 376519701 /nfs/dbraw/zinc/51/97/01/376519701.db2.gz PQVOIVJDDYGYOE-UHFFFAOYSA-N 2 1 287.411 2.097 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000305976063 376532440 /nfs/dbraw/zinc/53/24/40/376532440.db2.gz QONQUPLXKNWIEJ-KKUMJFAQSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000305976063 376532444 /nfs/dbraw/zinc/53/24/44/376532444.db2.gz QONQUPLXKNWIEJ-KKUMJFAQSA-N 2 1 254.418 2.121 20 0 CEADMP CCn1nc(C)c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1C ZINC000307973914 376578551 /nfs/dbraw/zinc/57/85/51/376578551.db2.gz NXEYHZVGHQHFDL-HNNXBMFYSA-N 2 1 266.433 2.325 20 0 CEADMP CCn1nc(C)c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1C ZINC000307973914 376578560 /nfs/dbraw/zinc/57/85/60/376578560.db2.gz NXEYHZVGHQHFDL-HNNXBMFYSA-N 2 1 266.433 2.325 20 0 CEADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000314558457 376776475 /nfs/dbraw/zinc/77/64/75/376776475.db2.gz KBTVHMISVGWLIX-IJEWVQPXSA-N 2 1 289.423 2.476 20 0 CEADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000314558457 376776478 /nfs/dbraw/zinc/77/64/78/376776478.db2.gz KBTVHMISVGWLIX-IJEWVQPXSA-N 2 1 289.423 2.476 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)ccc21 ZINC000290527325 376820509 /nfs/dbraw/zinc/82/05/09/376820509.db2.gz QJNFVEWTFPGBHF-NVXWUHKLSA-N 2 1 298.434 2.489 20 0 CEADMP Cn1cnc2cc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@H]43)ccc21 ZINC000290527325 376820517 /nfs/dbraw/zinc/82/05/17/376820517.db2.gz QJNFVEWTFPGBHF-NVXWUHKLSA-N 2 1 298.434 2.489 20 0 CEADMP Cn1cnc2cc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)ccc21 ZINC000290527325 376820525 /nfs/dbraw/zinc/82/05/25/376820525.db2.gz QJNFVEWTFPGBHF-NVXWUHKLSA-N 2 1 298.434 2.489 20 0 CEADMP CC(C)c1csc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000422893359 376856508 /nfs/dbraw/zinc/85/65/08/376856508.db2.gz QFOSXEQFPTZRCL-QWRGUYRKSA-N 2 1 253.415 2.484 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000562280613 376857564 /nfs/dbraw/zinc/85/75/64/376857564.db2.gz AKCSNTFFETVHQL-IOASZLSFSA-N 2 1 286.423 2.392 20 0 CEADMP CNC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000562478957 376905768 /nfs/dbraw/zinc/90/57/68/376905768.db2.gz RPWZNPJCXFAZEF-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CNC(=O)CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000562478957 376905772 /nfs/dbraw/zinc/90/57/72/376905772.db2.gz RPWZNPJCXFAZEF-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CNC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000562478960 376906620 /nfs/dbraw/zinc/90/66/20/376906620.db2.gz RPWZNPJCXFAZEF-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CNC(=O)CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000562478960 376906633 /nfs/dbraw/zinc/90/66/33/376906633.db2.gz RPWZNPJCXFAZEF-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](CC1CCCCC1)C1CC1 ZINC000562478620 376907190 /nfs/dbraw/zinc/90/71/90/376907190.db2.gz LEELEZGDNQGPOH-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](CC1CCCCC1)C1CC1 ZINC000562478620 376907194 /nfs/dbraw/zinc/90/71/94/376907194.db2.gz LEELEZGDNQGPOH-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](CC1CCCCC1)C1CC1 ZINC000562478620 376907199 /nfs/dbraw/zinc/90/71/99/376907199.db2.gz LEELEZGDNQGPOH-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CC1CCCCC1)C1CC1 ZINC000562478620 376907202 /nfs/dbraw/zinc/90/72/02/376907202.db2.gz LEELEZGDNQGPOH-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC1CCCCC1)C1CC1 ZINC000562478620 376907210 /nfs/dbraw/zinc/90/72/10/376907210.db2.gz LEELEZGDNQGPOH-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422998760 376916590 /nfs/dbraw/zinc/91/65/90/376916590.db2.gz DFAQUAAHGPOKAP-NEBZKDRISA-N 2 1 260.381 2.281 20 0 CEADMP CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423002574 376922108 /nfs/dbraw/zinc/92/21/08/376922108.db2.gz JPYHSNQZRAWACL-JTQLQIEISA-N 2 1 268.788 2.436 20 0 CEADMP COC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423014607 376928607 /nfs/dbraw/zinc/92/86/07/376928607.db2.gz IYQUVKXXQKDIKN-WFASDCNBSA-N 2 1 284.350 2.384 20 0 CEADMP Cc1csc([C@@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)n1 ZINC000423035724 376942860 /nfs/dbraw/zinc/94/28/60/376942860.db2.gz JVZBSBVSAGOJCJ-DLOVCJGASA-N 2 1 253.415 2.285 20 0 CEADMP CC[C@H]([NH2+]CCOCC(F)(F)C(F)F)[C@@H]1CCC[NH2+]1 ZINC000423074906 376967206 /nfs/dbraw/zinc/96/72/06/376967206.db2.gz NDMCIWQTQROLML-UWVGGRQHSA-N 2 1 286.313 2.024 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1c2ccc(F)cc2O[C@H]1C ZINC000423129944 377027091 /nfs/dbraw/zinc/02/70/91/377027091.db2.gz RKRWMTBEZIVCFD-RUMNANIHSA-N 2 1 252.333 2.363 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423131965 377031033 /nfs/dbraw/zinc/03/10/33/377031033.db2.gz IMBOTYXHUGZTPN-GXFFZTMASA-N 2 1 287.329 2.231 20 0 CEADMP CSc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000423145707 377046600 /nfs/dbraw/zinc/04/66/00/377046600.db2.gz MCKTYSMCXOHHES-JYJNAYRXSA-N 2 1 293.480 2.481 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423085156 376980324 /nfs/dbraw/zinc/98/03/24/376980324.db2.gz JTSUGGKJZGZRIU-NJAFHUGGSA-N 2 1 287.451 2.096 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423088582 376982487 /nfs/dbraw/zinc/98/24/87/376982487.db2.gz SHJWJWWDFXFCSH-KAKFPZCNSA-N 2 1 299.462 2.381 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423088582 376982497 /nfs/dbraw/zinc/98/24/97/376982497.db2.gz SHJWJWWDFXFCSH-KAKFPZCNSA-N 3 1 299.462 2.381 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423088582 376982509 /nfs/dbraw/zinc/98/25/09/376982509.db2.gz SHJWJWWDFXFCSH-KAKFPZCNSA-N 3 1 299.462 2.381 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000423101428 376993291 /nfs/dbraw/zinc/99/32/91/376993291.db2.gz IVDFXTJPWGQOTO-GFCCVEGCSA-N 2 1 260.385 2.213 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000423103698 376995789 /nfs/dbraw/zinc/99/57/89/376995789.db2.gz XVWNKTAYKWOHBY-XHSDSOJGSA-N 2 1 265.445 2.253 20 0 CEADMP Cc1cccc(CCC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)n1 ZINC000423111141 377004858 /nfs/dbraw/zinc/00/48/58/377004858.db2.gz VXVRQOSIYQESBL-ZBFHGGJFSA-N 2 1 261.413 2.443 20 0 CEADMP CC(C)[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423195215 377110750 /nfs/dbraw/zinc/11/07/50/377110750.db2.gz YWLBOQYGXPYWKK-CQSZACIVSA-N 2 1 251.349 2.259 20 0 CEADMP CC(C)(C[C@H]1CCC[N@H+](C2CCC(C[NH3+])CC2)C1)C(N)=O ZINC000423154797 377056113 /nfs/dbraw/zinc/05/61/13/377056113.db2.gz IMNCSZDBLMJLES-SHARSMKWSA-N 2 1 295.471 2.118 20 0 CEADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423158975 377060819 /nfs/dbraw/zinc/06/08/19/377060819.db2.gz XOZJMTHPESOXJB-RFBLXINOSA-N 2 1 266.429 2.025 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423169863 377077883 /nfs/dbraw/zinc/07/78/83/377077883.db2.gz WREAQXIZFVQXHW-XHSDSOJGSA-N 2 1 279.472 2.371 20 0 CEADMP C[N@H+](CCCO)C1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000291173461 377103971 /nfs/dbraw/zinc/10/39/71/377103971.db2.gz NKDJEBFYLGQYHK-QZTJIDSGSA-N 2 1 288.435 2.321 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000291173461 377103976 /nfs/dbraw/zinc/10/39/76/377103976.db2.gz NKDJEBFYLGQYHK-QZTJIDSGSA-N 2 1 288.435 2.321 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C12CCCC2 ZINC000423269304 377189554 /nfs/dbraw/zinc/18/95/54/377189554.db2.gz FHOXKDRROMSYJQ-MELADBBJSA-N 2 1 252.402 2.051 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000423269540 377189589 /nfs/dbraw/zinc/18/95/89/377189589.db2.gz HDYWNOOQNTZELY-AAEUAGOBSA-N 2 1 264.369 2.439 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000423272048 377191103 /nfs/dbraw/zinc/19/11/03/377191103.db2.gz JPLSUZRWXICMHU-NEPJUHHUSA-N 2 1 252.406 2.279 20 0 CEADMP [NH3+]C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000423273835 377194946 /nfs/dbraw/zinc/19/49/46/377194946.db2.gz JPFBEMIPHKSREI-MKXGPGLRSA-N 2 1 299.462 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000423228144 377145987 /nfs/dbraw/zinc/14/59/87/377145987.db2.gz YIKIOFGILATNEP-STQMWFEESA-N 2 1 272.396 2.475 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000423247411 377165858 /nfs/dbraw/zinc/16/58/58/377165858.db2.gz PDXHPZILTGOLID-STQMWFEESA-N 2 1 250.386 2.386 20 0 CEADMP CC[NH2+]CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423247433 377166229 /nfs/dbraw/zinc/16/62/29/377166229.db2.gz PHOVAYWTTVORFB-NVXWUHKLSA-N 2 1 275.440 2.096 20 0 CEADMP C[C@H](N[C@H](C[NH3+])C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423274091 377197465 /nfs/dbraw/zinc/19/74/65/377197465.db2.gz JUJCXAQQKZGASX-BMGDILEWSA-N 2 1 287.451 2.224 20 0 CEADMP Cc1occc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000563345636 377175289 /nfs/dbraw/zinc/17/52/89/377175289.db2.gz GTBPYVGWORQXDL-KRWDZBQOSA-N 2 1 291.439 2.188 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@H](C[NH3+])CC(C)C)CC2)n1 ZINC000423259697 377179078 /nfs/dbraw/zinc/17/90/78/377179078.db2.gz FPEKZSFFENOXHV-RUXDESIVSA-N 2 1 280.416 2.367 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccccc2)CCCC1 ZINC000563354238 377179765 /nfs/dbraw/zinc/17/97/65/377179765.db2.gz MVCBXIMTJCTYPD-MRXNPFEDSA-N 2 1 276.424 2.358 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)[C@H]1C ZINC000423265283 377185130 /nfs/dbraw/zinc/18/51/30/377185130.db2.gz QSEJSCIUFUGLHU-QCEMKRCNSA-N 2 1 296.455 2.461 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(C(=O)OC)cs1 ZINC000423267811 377186943 /nfs/dbraw/zinc/18/69/43/377186943.db2.gz FGUMMROCTAYBMT-UWVGGRQHSA-N 2 1 270.398 2.041 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000423282742 377210520 /nfs/dbraw/zinc/21/05/20/377210520.db2.gz WXCNKILNTMKFML-RISCZKNCSA-N 2 1 253.365 2.363 20 0 CEADMP COc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1OC ZINC000423286282 377215426 /nfs/dbraw/zinc/21/54/26/377215426.db2.gz GKMSZVGUTHPNCC-LLVKDONJSA-N 2 1 266.385 2.400 20 0 CEADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423286036 377215462 /nfs/dbraw/zinc/21/54/62/377215462.db2.gz ZGNZUHNLBKVHFN-BONVTDFDSA-N 2 1 261.369 2.033 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000423287390 377217352 /nfs/dbraw/zinc/21/73/52/377217352.db2.gz MAAGNEFPFHCOGO-LBPRGKRZSA-N 2 1 275.396 2.201 20 0 CEADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000423289809 377220470 /nfs/dbraw/zinc/22/04/70/377220470.db2.gz YLORRGRYGOJUKU-LBPRGKRZSA-N 2 1 298.452 2.258 20 0 CEADMP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH3+])nnn1-c1ccc(C)cc1 ZINC000423294102 377221964 /nfs/dbraw/zinc/22/19/64/377221964.db2.gz BHIUYUAJXZKTTF-OLZOCXBDSA-N 2 1 287.411 2.130 20 0 CEADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423315447 377245544 /nfs/dbraw/zinc/24/55/44/377245544.db2.gz IRXPYMHZPAOWNR-HOTGVXAUSA-N 2 1 260.381 2.400 20 0 CEADMP C[C@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423320846 377253027 /nfs/dbraw/zinc/25/30/27/377253027.db2.gz GUKFZHWANFQSAB-SPUZQDLCSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@H]([NH2+]CCCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423323369 377256047 /nfs/dbraw/zinc/25/60/47/377256047.db2.gz JGQNTSAEHAKMMR-RDJZCZTQSA-N 3 1 275.440 2.226 20 0 CEADMP C[C@H]([NH2+]CCCC[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000423323369 377256057 /nfs/dbraw/zinc/25/60/57/377256057.db2.gz JGQNTSAEHAKMMR-RDJZCZTQSA-N 2 1 275.440 2.226 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(C)c1OC ZINC000423277233 377203072 /nfs/dbraw/zinc/20/30/72/377203072.db2.gz OAHMWUNDBINNRR-NHYWBVRUSA-N 2 1 292.423 2.270 20 0 CEADMP Cc1ccc([C@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000563841331 377303777 /nfs/dbraw/zinc/30/37/77/377303777.db2.gz LPPQWUHNKVQUJK-FUHWJXTLSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccc([C@H]2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000563841331 377303784 /nfs/dbraw/zinc/30/37/84/377303784.db2.gz LPPQWUHNKVQUJK-FUHWJXTLSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccc([C@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000563841331 377303790 /nfs/dbraw/zinc/30/37/90/377303790.db2.gz LPPQWUHNKVQUJK-FUHWJXTLSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccc([C@H]2CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000563841331 377303795 /nfs/dbraw/zinc/30/37/95/377303795.db2.gz LPPQWUHNKVQUJK-FUHWJXTLSA-N 2 1 288.435 2.239 20 0 CEADMP CCC(CC)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000564211595 377360783 /nfs/dbraw/zinc/36/07/83/377360783.db2.gz OAHAFRBDRVEPFK-UHFFFAOYSA-N 2 1 266.389 2.416 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000293095228 377426207 /nfs/dbraw/zinc/42/62/07/377426207.db2.gz NLXZQKAKWSGKGS-UKRRQHHQSA-N 2 1 288.391 2.350 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000293095228 377426215 /nfs/dbraw/zinc/42/62/15/377426215.db2.gz NLXZQKAKWSGKGS-UKRRQHHQSA-N 2 1 288.391 2.350 20 0 CEADMP C[N@@H+](C[C@H](O)Cc1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000293129278 377438702 /nfs/dbraw/zinc/43/87/02/377438702.db2.gz PRJSFYDRFUPZNV-NVXWUHKLSA-N 2 1 294.414 2.003 20 0 CEADMP C[NH+](C[C@H](O)Cc1ccc(F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000293129278 377438712 /nfs/dbraw/zinc/43/87/12/377438712.db2.gz PRJSFYDRFUPZNV-NVXWUHKLSA-N 2 1 294.414 2.003 20 0 CEADMP C[NH+](C[C@H](O)Cc1ccc(F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000293129278 377438721 /nfs/dbraw/zinc/43/87/21/377438721.db2.gz PRJSFYDRFUPZNV-NVXWUHKLSA-N 2 1 294.414 2.003 20 0 CEADMP Cc1ccc([C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C2CCC2)cc1 ZINC000427715518 377438940 /nfs/dbraw/zinc/43/89/40/377438940.db2.gz QLNFWBVEERARKG-IAGOWNOFSA-N 2 1 276.424 2.348 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430963734 377579175 /nfs/dbraw/zinc/57/91/75/377579175.db2.gz AXIFQRSKDUZHFI-NSHDSACASA-N 2 1 288.313 2.365 20 0 CEADMP Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](c3nccn3C)C2)s1 ZINC000565158640 377575666 /nfs/dbraw/zinc/57/56/66/377575666.db2.gz UJQDALHAVDKLNB-MWLCHTKSSA-N 2 1 277.397 2.131 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166158026 542198598 /nfs/dbraw/zinc/19/85/98/542198598.db2.gz AWMRAPFTNOVTIA-NVXWUHKLSA-N 2 1 287.407 2.361 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166158026 542198603 /nfs/dbraw/zinc/19/86/03/542198603.db2.gz AWMRAPFTNOVTIA-NVXWUHKLSA-N 2 1 287.407 2.361 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000530354960 542202634 /nfs/dbraw/zinc/20/26/34/542202634.db2.gz MODSZJUEQRXENP-HNNXBMFYSA-N 2 1 259.328 2.379 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000166567208 542211861 /nfs/dbraw/zinc/21/18/61/542211861.db2.gz FRKIXRIOMIMHIF-BZUAXINKSA-N 2 1 265.445 2.077 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166567208 542211864 /nfs/dbraw/zinc/21/18/64/542211864.db2.gz FRKIXRIOMIMHIF-BZUAXINKSA-N 2 1 265.445 2.077 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166567208 542211866 /nfs/dbraw/zinc/21/18/66/542211866.db2.gz FRKIXRIOMIMHIF-BZUAXINKSA-N 2 1 265.445 2.077 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166567208 542211871 /nfs/dbraw/zinc/21/18/71/542211871.db2.gz FRKIXRIOMIMHIF-BZUAXINKSA-N 2 1 265.445 2.077 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166567208 542211875 /nfs/dbraw/zinc/21/18/75/542211875.db2.gz FRKIXRIOMIMHIF-BZUAXINKSA-N 2 1 265.445 2.077 20 0 CEADMP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCC[C@H]4OCC[C@H]43)CC[N@H+]2C1 ZINC000166856227 542212449 /nfs/dbraw/zinc/21/24/49/542212449.db2.gz VGWLBMGIJPWGFQ-RBGFHDKUSA-N 2 1 264.413 2.160 20 0 CEADMP COC1(CC[N@@H+]2[C@@H]3CC[C@H]2CCN(C)C3)CCC1 ZINC000565311121 377639884 /nfs/dbraw/zinc/63/98/84/377639884.db2.gz AQEJCAVYTYTTBE-UONOGXRCSA-N 2 1 252.402 2.114 20 0 CEADMP COC1(CC[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)CCC1 ZINC000565311121 377639887 /nfs/dbraw/zinc/63/98/87/377639887.db2.gz AQEJCAVYTYTTBE-UONOGXRCSA-N 2 1 252.402 2.114 20 0 CEADMP COC1(CC[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)CCC1 ZINC000565311121 377639890 /nfs/dbraw/zinc/63/98/90/377639890.db2.gz AQEJCAVYTYTTBE-UONOGXRCSA-N 2 1 252.402 2.114 20 0 CEADMP COC1(CC[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)CCC1 ZINC000565311121 377639894 /nfs/dbraw/zinc/63/98/94/377639894.db2.gz AQEJCAVYTYTTBE-UONOGXRCSA-N 2 1 252.402 2.114 20 0 CEADMP COC1(CC[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)CCC1 ZINC000565311121 377639898 /nfs/dbraw/zinc/63/98/98/377639898.db2.gz AQEJCAVYTYTTBE-UONOGXRCSA-N 2 1 252.402 2.114 20 0 CEADMP C[N@@H+](C[C@H](O)CNCc1ccc(C2CC2)cc1F)C1CC1 ZINC000565416767 377656691 /nfs/dbraw/zinc/65/66/91/377656691.db2.gz DNRTYVYEQIPPSO-MRXNPFEDSA-N 2 1 292.398 2.248 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc4c[nH]nc4c3)C2)C1 ZINC000293743465 377734518 /nfs/dbraw/zinc/73/45/18/377734518.db2.gz WBCVFPCYFDROIW-KRWDZBQOSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc4c[nH]nc4c3)C2)C1 ZINC000293743465 377734523 /nfs/dbraw/zinc/73/45/23/377734523.db2.gz WBCVFPCYFDROIW-KRWDZBQOSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)C1 ZINC000293743465 377734528 /nfs/dbraw/zinc/73/45/28/377734528.db2.gz WBCVFPCYFDROIW-KRWDZBQOSA-N 2 1 284.407 2.481 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC000566040311 377711736 /nfs/dbraw/zinc/71/17/36/377711736.db2.gz FOGRTKGJFWRAEN-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP C(C[N@H+]1CCC[C@H]1CN1CCCCC1)[C@H]1CCOC1 ZINC000437583883 377852882 /nfs/dbraw/zinc/85/28/82/377852882.db2.gz YGIQIBNTOPVECN-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](F)C2)CC1 ZINC000449384257 378207370 /nfs/dbraw/zinc/20/73/70/378207370.db2.gz APDYASYHYFIVIF-MRXNPFEDSA-N 2 1 291.414 2.372 20 0 CEADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](F)C2)CC1 ZINC000449384257 378207376 /nfs/dbraw/zinc/20/73/76/378207376.db2.gz APDYASYHYFIVIF-MRXNPFEDSA-N 2 1 291.414 2.372 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnc(C(C)(C)C)nc1)C[NH+](C)C ZINC000295847022 378327973 /nfs/dbraw/zinc/32/79/73/378327973.db2.gz ZZLNPSXAJCOZRD-LBPRGKRZSA-N 2 1 264.417 2.061 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(CO)c1 ZINC000296078407 378411195 /nfs/dbraw/zinc/41/11/95/378411195.db2.gz XCUVQNIONXDFPF-RJCAOGMDSA-N 2 1 274.408 2.455 20 0 CEADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC2CC(F)(F)C2)CC1 ZINC000450362484 378375951 /nfs/dbraw/zinc/37/59/51/378375951.db2.gz GFCURRFJLQZYOL-GFCCVEGCSA-N 2 1 290.398 2.056 20 0 CEADMP Cc1cnccc1CN1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000295978204 378378397 /nfs/dbraw/zinc/37/83/97/378378397.db2.gz JDHFTFXJBUOLRJ-CVEARBPZSA-N 2 1 259.397 2.306 20 0 CEADMP CCc1cc(NC[C@H]2CC[N@@H+](CC(C)C)C2)cc[nH+]1 ZINC000450379693 378383461 /nfs/dbraw/zinc/38/34/61/378383461.db2.gz ONRXYPXUVHKYPP-CQSZACIVSA-N 2 1 261.413 2.456 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC000450388245 378387973 /nfs/dbraw/zinc/38/79/73/378387973.db2.gz IKWKENAIPQLLES-QGZVFWFLSA-N 2 1 277.456 2.199 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC12CCC(CC1)C2 ZINC000450632440 378509658 /nfs/dbraw/zinc/50/96/58/378509658.db2.gz ONZPHXKWSQMKRG-UHFFFAOYSA-N 2 1 279.472 2.136 20 0 CEADMP COCC[N@H+]1CC[C@@H](Nc2ccc3c[nH+]ccc3c2)C1 ZINC000296470621 378542704 /nfs/dbraw/zinc/54/27/04/378542704.db2.gz HOANHDCWWDWUFR-MRXNPFEDSA-N 2 1 271.364 2.367 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC[C@H](C)O)C1)CCCC2 ZINC000450784040 378578181 /nfs/dbraw/zinc/57/81/81/378578181.db2.gz GSAXBWVMMPYXDX-GXTWGEPZSA-N 2 1 277.412 2.088 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC[C@H](C)O)C1)CCCC2 ZINC000450784040 378578187 /nfs/dbraw/zinc/57/81/87/378578187.db2.gz GSAXBWVMMPYXDX-GXTWGEPZSA-N 2 1 277.412 2.088 20 0 CEADMP CC(C)c1nccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000450823361 378596267 /nfs/dbraw/zinc/59/62/67/378596267.db2.gz COYUBVARFNSQAG-YHWZYXNKSA-N 2 1 260.385 2.059 20 0 CEADMP Cc1cc(NC(=O)N[C@@H](C)CC[NH+](C)C)cn2cc[nH+]c12 ZINC000296794412 378651546 /nfs/dbraw/zinc/65/15/46/378651546.db2.gz HBGZPMMLJLQUJV-LBPRGKRZSA-N 2 1 289.383 2.104 20 0 CEADMP COc1cccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298478360 378739574 /nfs/dbraw/zinc/73/95/74/378739574.db2.gz PHCXVUGUTKVQFL-UHFFFAOYSA-N 2 1 274.408 2.454 20 0 CEADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccncc1 ZINC000453205997 378829048 /nfs/dbraw/zinc/82/90/48/378829048.db2.gz DQSASNHTEFUNCP-MRXNPFEDSA-N 2 1 290.455 2.148 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346839154 218033148 /nfs/dbraw/zinc/03/31/48/218033148.db2.gz YGWGXHFPNAPNPZ-VTTDZUNHSA-N 2 1 272.392 2.378 20 0 CEADMP Cn1cnc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)ccc21 ZINC000346847387 218034245 /nfs/dbraw/zinc/03/42/45/218034245.db2.gz MGNJMEHRTRMGHL-SOUVJXGZSA-N 2 1 284.407 2.133 20 0 CEADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cn[nH]c1 ZINC000453196535 378826332 /nfs/dbraw/zinc/82/63/32/378826332.db2.gz LZWDBCGTKXUBBI-GFCCVEGCSA-N 2 1 250.390 2.182 20 0 CEADMP CC(C)c1nc([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000346835533 218030543 /nfs/dbraw/zinc/03/05/43/218030543.db2.gz TUXJKOLZBLNYFL-ZIAGYGMSSA-N 2 1 292.427 2.372 20 0 CEADMP CC(C)c1nc([C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000346835533 218030544 /nfs/dbraw/zinc/03/05/44/218030544.db2.gz TUXJKOLZBLNYFL-ZIAGYGMSSA-N 2 1 292.427 2.372 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[NH+](C)[C@H]3CCC[C@H]31)C2 ZINC000453347555 378869383 /nfs/dbraw/zinc/86/93/83/378869383.db2.gz KRKGIONTFRTFTR-MTFTWBNISA-N 2 1 277.456 2.074 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@H+](C)[C@H]3CCC[C@H]31)C2 ZINC000453347555 378869385 /nfs/dbraw/zinc/86/93/85/378869385.db2.gz KRKGIONTFRTFTR-MTFTWBNISA-N 2 1 277.456 2.074 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@@H+](C)[C@H]3CCC[C@H]31)C2 ZINC000453347555 378869390 /nfs/dbraw/zinc/86/93/90/378869390.db2.gz KRKGIONTFRTFTR-MTFTWBNISA-N 2 1 277.456 2.074 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[NH+](C)[C@H]3CCC[C@H]31)C2 ZINC000453347555 378869395 /nfs/dbraw/zinc/86/93/95/378869395.db2.gz KRKGIONTFRTFTR-MTFTWBNISA-N 3 1 277.456 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[NH+](C)[C@H]3CCC[C@H]31)C2 ZINC000453347555 378869397 /nfs/dbraw/zinc/86/93/97/378869397.db2.gz KRKGIONTFRTFTR-MTFTWBNISA-N 3 1 277.456 2.074 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[N@H+](C)[C@H]3CCC[C@H]31)C2 ZINC000453347555 378869403 /nfs/dbraw/zinc/86/94/03/378869403.db2.gz KRKGIONTFRTFTR-MTFTWBNISA-N 3 1 277.456 2.074 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[N@@H+](C)[C@H]3CCC[C@H]31)C2 ZINC000453347555 378869405 /nfs/dbraw/zinc/86/94/05/378869405.db2.gz KRKGIONTFRTFTR-MTFTWBNISA-N 3 1 277.456 2.074 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453401429 378887931 /nfs/dbraw/zinc/88/79/31/378887931.db2.gz MURPYJFESBKNTA-ZDUSSCGKSA-N 2 1 264.417 2.428 20 0 CEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)O1 ZINC000453406612 378890235 /nfs/dbraw/zinc/89/02/35/378890235.db2.gz LGBOQKSQBBKLPD-KJWHEZOQSA-N 2 1 252.402 2.016 20 0 CEADMP CCn1ccnc1[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000453375512 378877658 /nfs/dbraw/zinc/87/76/58/378877658.db2.gz XUWDIRCUNXSDAD-RFQIPJPRSA-N 2 1 264.417 2.282 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1SC ZINC000346992000 218082334 /nfs/dbraw/zinc/08/23/34/218082334.db2.gz AANRTTKRBQWNTI-GFCCVEGCSA-N 2 1 266.410 2.198 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1SC ZINC000346992000 218082335 /nfs/dbraw/zinc/08/23/35/218082335.db2.gz AANRTTKRBQWNTI-GFCCVEGCSA-N 2 1 266.410 2.198 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000453590822 378914499 /nfs/dbraw/zinc/91/44/99/378914499.db2.gz BQQLYLKTSWPDML-UHFFFAOYSA-N 2 1 299.422 2.231 20 0 CEADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(C2CCCCC2)n1 ZINC000347031220 218097658 /nfs/dbraw/zinc/09/76/58/218097658.db2.gz YMPFTSWRYGZQJI-CYBMUJFWSA-N 2 1 276.428 2.248 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c(C2CCCCC2)n1 ZINC000347031220 218097659 /nfs/dbraw/zinc/09/76/59/218097659.db2.gz YMPFTSWRYGZQJI-CYBMUJFWSA-N 2 1 276.428 2.248 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000347031748 218098714 /nfs/dbraw/zinc/09/87/14/218098714.db2.gz ANTYJISVVSVAAG-LBPRGKRZSA-N 2 1 290.436 2.190 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000347031748 218098717 /nfs/dbraw/zinc/09/87/17/218098717.db2.gz ANTYJISVVSVAAG-LBPRGKRZSA-N 2 1 290.436 2.190 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cccnc2)C1 ZINC000347036478 218100330 /nfs/dbraw/zinc/10/03/30/218100330.db2.gz GYBGOGCIDNTRLL-UKRRQHHQSA-N 2 1 299.422 2.041 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000347039599 218100371 /nfs/dbraw/zinc/10/03/71/218100371.db2.gz HNVUPNYVJNYUHO-CYBMUJFWSA-N 2 1 299.422 2.135 20 0 CEADMP COc1ccccc1/C=C/C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347058366 218107175 /nfs/dbraw/zinc/10/71/75/218107175.db2.gz WJTNPDSELQIPQZ-LGVMCUBASA-N 2 1 260.381 2.378 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347058366 218107176 /nfs/dbraw/zinc/10/71/76/218107176.db2.gz WJTNPDSELQIPQZ-LGVMCUBASA-N 2 1 260.381 2.378 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1OCC ZINC000347104658 218122858 /nfs/dbraw/zinc/12/28/58/218122858.db2.gz LEMJNKGJQCBXQC-CQSZACIVSA-N 2 1 278.396 2.265 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1OCC ZINC000347104658 218122860 /nfs/dbraw/zinc/12/28/60/218122860.db2.gz LEMJNKGJQCBXQC-CQSZACIVSA-N 2 1 278.396 2.265 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000278607679 194066739 /nfs/dbraw/zinc/06/67/39/194066739.db2.gz ZWUSEVJODCXHNF-KNPMLCFXSA-N 2 1 280.387 2.177 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347173566 218145389 /nfs/dbraw/zinc/14/53/89/218145389.db2.gz PEBYDRNKKYYWSK-OAHLLOKOSA-N 2 1 298.390 2.310 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347173566 218145390 /nfs/dbraw/zinc/14/53/90/218145390.db2.gz PEBYDRNKKYYWSK-OAHLLOKOSA-N 2 1 298.390 2.310 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347175850 218145423 /nfs/dbraw/zinc/14/54/23/218145423.db2.gz QPFFPXVQVLLKPY-AWEZNQCLSA-N 2 1 284.363 2.050 20 0 CEADMP COc1ccsc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347211540 218156821 /nfs/dbraw/zinc/15/68/21/218156821.db2.gz OWXITMPVLOLLFX-GHMZBOCLSA-N 2 1 254.399 2.316 20 0 CEADMP COc1ccsc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347211609 218156885 /nfs/dbraw/zinc/15/68/85/218156885.db2.gz OWXITMPVLOLLFX-QWRGUYRKSA-N 2 1 254.399 2.316 20 0 CEADMP COc1ccsc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347211612 218156952 /nfs/dbraw/zinc/15/69/52/218156952.db2.gz OWXITMPVLOLLFX-WDEREUQCSA-N 2 1 254.399 2.316 20 0 CEADMP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000347227808 218163164 /nfs/dbraw/zinc/16/31/64/218163164.db2.gz WKZYDCHXCCSAKX-CQSZACIVSA-N 2 1 278.396 2.265 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000347227808 218163166 /nfs/dbraw/zinc/16/31/66/218163166.db2.gz WKZYDCHXCCSAKX-CQSZACIVSA-N 2 1 278.396 2.265 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000347352780 218202107 /nfs/dbraw/zinc/20/21/07/218202107.db2.gz UUWQCXNEQFSHPQ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CC[C@H]3CCCCO3)CC[C@H]21 ZINC000347445497 218237619 /nfs/dbraw/zinc/23/76/19/218237619.db2.gz SZMBQNLNOYBKNL-BZUAXINKSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CC[C@H]3CCCCO3)CC[C@H]21 ZINC000347445497 218237622 /nfs/dbraw/zinc/23/76/22/218237622.db2.gz SZMBQNLNOYBKNL-BZUAXINKSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)CC[C@H]21 ZINC000347445497 218237625 /nfs/dbraw/zinc/23/76/25/218237625.db2.gz SZMBQNLNOYBKNL-BZUAXINKSA-N 2 1 266.429 2.362 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccc(Cl)cc1 ZINC000514930798 379164747 /nfs/dbraw/zinc/16/47/47/379164747.db2.gz SELHVZGQUFHNAN-RRFJBIMHSA-N 2 1 281.831 2.412 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000300424706 379172725 /nfs/dbraw/zinc/17/27/25/379172725.db2.gz ICRVTJLNOFQEEO-ARQSVGKCSA-N 2 1 266.429 2.405 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000300687386 379178852 /nfs/dbraw/zinc/17/88/52/379178852.db2.gz LQHTVYFWXYRXDM-OAGGEKHMSA-N 2 1 267.461 2.227 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000300687386 379178859 /nfs/dbraw/zinc/17/88/59/379178859.db2.gz LQHTVYFWXYRXDM-OAGGEKHMSA-N 3 1 267.461 2.227 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000300687386 379178865 /nfs/dbraw/zinc/17/88/65/379178865.db2.gz LQHTVYFWXYRXDM-OAGGEKHMSA-N 3 1 267.461 2.227 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@H]21 ZINC000302381111 379365929 /nfs/dbraw/zinc/36/59/29/379365929.db2.gz IIBNDYCLASYPJX-UMSGYPCISA-N 2 1 258.356 2.481 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000524156225 379611721 /nfs/dbraw/zinc/61/17/21/379611721.db2.gz WPQOODQUYQVVKX-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000305703235 379734103 /nfs/dbraw/zinc/73/41/03/379734103.db2.gz XEINLIMLPXVMMN-CQSZACIVSA-N 2 1 267.417 2.311 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](CO)C(C)(C)C ZINC000305703235 379734115 /nfs/dbraw/zinc/73/41/15/379734115.db2.gz XEINLIMLPXVMMN-CQSZACIVSA-N 2 1 267.417 2.311 20 0 CEADMP OCC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000305365434 379711533 /nfs/dbraw/zinc/71/15/33/379711533.db2.gz VKXKLENXWLBAQM-KZNAEPCWSA-N 2 1 288.435 2.369 20 0 CEADMP CC(C)c1ncc2c(n1)CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000527617306 379778557 /nfs/dbraw/zinc/77/85/57/379778557.db2.gz FFLCTWIVRSRHQH-UONOGXRCSA-N 2 1 288.439 2.346 20 0 CEADMP C(NC1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528005189 379876096 /nfs/dbraw/zinc/87/60/96/379876096.db2.gz YRXYMTNCMSTQSN-QGZVFWFLSA-N 2 1 277.456 2.220 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(CO)ccc3F)CC[C@@H]21 ZINC000528409041 379961867 /nfs/dbraw/zinc/96/18/67/379961867.db2.gz WCUAHRDXTFPEFS-PBHICJAKSA-N 2 1 292.398 2.234 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(CO)ccc3F)CC[C@@H]21 ZINC000528409041 379961872 /nfs/dbraw/zinc/96/18/72/379961872.db2.gz WCUAHRDXTFPEFS-PBHICJAKSA-N 2 1 292.398 2.234 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)CC[C@@H]21 ZINC000528409041 379961876 /nfs/dbraw/zinc/96/18/76/379961876.db2.gz WCUAHRDXTFPEFS-PBHICJAKSA-N 2 1 292.398 2.234 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)CC[C@@H]21 ZINC000528409041 379961879 /nfs/dbraw/zinc/96/18/79/379961879.db2.gz WCUAHRDXTFPEFS-PBHICJAKSA-N 2 1 292.398 2.234 20 0 CEADMP Cc1cccc2ncc(CN3CC[N@@H+](C)[C@H](C(C)C)C3)n21 ZINC000488543543 380110904 /nfs/dbraw/zinc/11/09/04/380110904.db2.gz LRZXEDDSHJITDL-INIZCTEOSA-N 2 1 286.423 2.415 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCOCC12CCCC2 ZINC000334298791 380268309 /nfs/dbraw/zinc/26/83/09/380268309.db2.gz ORKIBFUVQSRTTI-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCOCC12CCCC2 ZINC000334298791 380268313 /nfs/dbraw/zinc/26/83/13/380268313.db2.gz ORKIBFUVQSRTTI-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCOCC12CCCC2 ZINC000334298791 380268314 /nfs/dbraw/zinc/26/83/14/380268314.db2.gz ORKIBFUVQSRTTI-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCOCC12CCCC2 ZINC000334298791 380268318 /nfs/dbraw/zinc/26/83/18/380268318.db2.gz ORKIBFUVQSRTTI-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP C[C@@H](O)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000542812027 380314525 /nfs/dbraw/zinc/31/45/25/380314525.db2.gz RTMKDOKDMLPUFN-BZZMCLGOSA-N 2 1 288.435 2.258 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000545867636 380391861 /nfs/dbraw/zinc/39/18/61/380391861.db2.gz ZHNWDYZADSRRIJ-CVEARBPZSA-N 2 1 294.826 2.374 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccs2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000334430471 380401056 /nfs/dbraw/zinc/40/10/56/380401056.db2.gz JPYYUPPGUCSFBK-GDBMZVCRSA-N 2 1 293.480 2.206 20 0 CEADMP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1([NH+]2CCCC2)CCOCC1 ZINC000549040914 380587504 /nfs/dbraw/zinc/58/75/04/380587504.db2.gz MQPNKJYCPLLGJK-ARFHVFGLSA-N 2 1 278.440 2.410 20 0 CEADMP C[N@H+]1CCC[C@H]2CN(CCc3cscn3)CC[C@H]21 ZINC000334577629 380627150 /nfs/dbraw/zinc/62/71/50/380627150.db2.gz SDMNAKCKJAZQCH-GXTWGEPZSA-N 2 1 265.426 2.102 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](CCc3cscn3)CC[C@H]21 ZINC000334577629 380627152 /nfs/dbraw/zinc/62/71/52/380627152.db2.gz SDMNAKCKJAZQCH-GXTWGEPZSA-N 2 1 265.426 2.102 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3cscn3)CC[C@H]21 ZINC000334577629 380627155 /nfs/dbraw/zinc/62/71/55/380627155.db2.gz SDMNAKCKJAZQCH-GXTWGEPZSA-N 2 1 265.426 2.102 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3cscn3)CC[C@H]21 ZINC000334577629 380627160 /nfs/dbraw/zinc/62/71/60/380627160.db2.gz SDMNAKCKJAZQCH-GXTWGEPZSA-N 2 1 265.426 2.102 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3cscn3)CC[C@H]21 ZINC000334577629 380627161 /nfs/dbraw/zinc/62/71/61/380627161.db2.gz SDMNAKCKJAZQCH-GXTWGEPZSA-N 2 1 265.426 2.102 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(CCc3cscn3)CC[C@@H]21 ZINC000334577633 380627303 /nfs/dbraw/zinc/62/73/03/380627303.db2.gz SDMNAKCKJAZQCH-OCCSQVGLSA-N 2 1 265.426 2.102 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3cscn3)CC[C@@H]21 ZINC000334577633 380627306 /nfs/dbraw/zinc/62/73/06/380627306.db2.gz SDMNAKCKJAZQCH-OCCSQVGLSA-N 2 1 265.426 2.102 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3cscn3)CC[C@@H]21 ZINC000334577633 380627309 /nfs/dbraw/zinc/62/73/09/380627309.db2.gz SDMNAKCKJAZQCH-OCCSQVGLSA-N 2 1 265.426 2.102 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3cscn3)CC[C@@H]21 ZINC000334577633 380627313 /nfs/dbraw/zinc/62/73/13/380627313.db2.gz SDMNAKCKJAZQCH-OCCSQVGLSA-N 2 1 265.426 2.102 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cscn3)CC[C@@H]21 ZINC000334577633 380627315 /nfs/dbraw/zinc/62/73/15/380627315.db2.gz SDMNAKCKJAZQCH-OCCSQVGLSA-N 2 1 265.426 2.102 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000554882715 380799819 /nfs/dbraw/zinc/79/98/19/380799819.db2.gz NLRYYDGVSWSWPH-ZDUSSCGKSA-N 2 1 289.414 2.036 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000279197086 194328055 /nfs/dbraw/zinc/32/80/55/194328055.db2.gz UNYCBCVWBURSKL-OAHLLOKOSA-N 2 1 284.407 2.304 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000279197086 194328056 /nfs/dbraw/zinc/32/80/56/194328056.db2.gz UNYCBCVWBURSKL-OAHLLOKOSA-N 2 1 284.407 2.304 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000037221681 542279433 /nfs/dbraw/zinc/27/94/33/542279433.db2.gz BLLFNQRNJLRMJY-NVXWUHKLSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]([NH2+]CCCN1CCCCC1)C1CC[NH+](C)CC1 ZINC000037220908 542279463 /nfs/dbraw/zinc/27/94/63/542279463.db2.gz HATOAZOZMBETLV-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccncc1F ZINC000556196456 380883417 /nfs/dbraw/zinc/88/34/17/380883417.db2.gz YPOOKHBXHOYIIT-NXEZZACHSA-N 2 1 260.316 2.152 20 0 CEADMP CC(C)(C)n1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000335271890 208071015 /nfs/dbraw/zinc/07/10/15/208071015.db2.gz XFUVPVJSGRVFIU-GASCZTMLSA-N 2 1 276.428 2.070 20 0 CEADMP Cc1cc(N)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000335365183 208282794 /nfs/dbraw/zinc/28/27/94/208282794.db2.gz ZBUMPJBIGGZFBX-HZPDHXFCSA-N 2 1 259.397 2.294 20 0 CEADMP CC[C@@H]([NH2+]CC[N@@H+](C)[C@@H](C)CC)C1(C(=O)OC)CCC1 ZINC000353841383 220359868 /nfs/dbraw/zinc/35/98/68/220359868.db2.gz JNXSCXGANJWAEJ-UONOGXRCSA-N 2 1 284.444 2.428 20 0 CEADMP CC[C@@H]([NH2+]CC[N@H+](C)[C@@H](C)CC)C1(C(=O)OC)CCC1 ZINC000353841383 220359872 /nfs/dbraw/zinc/35/98/72/220359872.db2.gz JNXSCXGANJWAEJ-UONOGXRCSA-N 2 1 284.444 2.428 20 0 CEADMP OCC[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000359213736 285255694 /nfs/dbraw/zinc/25/56/94/285255694.db2.gz GIJDAIKVUOTAML-SFHVURJKSA-N 2 1 288.435 2.358 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000281395111 195223620 /nfs/dbraw/zinc/22/36/20/195223620.db2.gz GNUVHKXZUBCWJT-CYBMUJFWSA-N 2 1 291.395 2.179 20 0 CEADMP C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000497254012 262127359 /nfs/dbraw/zinc/12/73/59/262127359.db2.gz QYOYOMMXWUMHHI-STQMWFEESA-N 2 1 299.459 2.206 20 0 CEADMP Oc1ccc2c(c1)C[N@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000334998317 285387253 /nfs/dbraw/zinc/38/72/53/285387253.db2.gz OWFYXXZPCBXULS-CYBMUJFWSA-N 2 1 260.381 2.140 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)[C@@H]2CCCN(C(C)C)C2=O)[C@@H](C)C1 ZINC000245586813 285398697 /nfs/dbraw/zinc/39/86/97/285398697.db2.gz FCUQDKRJMIHLAQ-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)[C@@H]2CCCN(C(C)C)C2=O)[C@@H](C)C1 ZINC000245586813 285398698 /nfs/dbraw/zinc/39/86/98/285398698.db2.gz FCUQDKRJMIHLAQ-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(C)C)C2=O)[C@@H](C)C1 ZINC000245586813 285398699 /nfs/dbraw/zinc/39/86/99/285398699.db2.gz FCUQDKRJMIHLAQ-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@@H]2CCCN(C(C)C)C2=O)[C@@H](C)C1 ZINC000245586813 285398700 /nfs/dbraw/zinc/39/87/00/285398700.db2.gz FCUQDKRJMIHLAQ-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCOCC1 ZINC000352759606 533472557 /nfs/dbraw/zinc/47/25/57/533472557.db2.gz KQYBLOBXBUBAAQ-LLVKDONJSA-N 2 1 283.441 2.109 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000192088514 130368351 /nfs/dbraw/zinc/36/83/51/130368351.db2.gz RCFWKUNTOUGLOQ-GYSYKLTISA-N 2 1 297.830 2.042 20 0 CEADMP C[N@H+](C[C@H]1CCC2(CCCC2)O1)[C@H](C[NH3+])C1CC1 ZINC000299988169 394453388 /nfs/dbraw/zinc/45/33/88/394453388.db2.gz JOGAJPIOYBNUCI-ZIAGYGMSSA-N 2 1 252.402 2.147 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(CCCC2)O1)[C@H](C[NH3+])C1CC1 ZINC000299988169 394453390 /nfs/dbraw/zinc/45/33/90/394453390.db2.gz JOGAJPIOYBNUCI-ZIAGYGMSSA-N 2 1 252.402 2.147 20 0 CEADMP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000300162601 394453422 /nfs/dbraw/zinc/45/34/22/394453422.db2.gz VFLVXQFEZMDWTL-HJWJTTGWSA-N 2 1 278.440 2.432 20 0 CEADMP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000300162601 394453426 /nfs/dbraw/zinc/45/34/26/394453426.db2.gz VFLVXQFEZMDWTL-HJWJTTGWSA-N 2 1 278.440 2.432 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(O)CC1 ZINC000235244860 394482726 /nfs/dbraw/zinc/48/27/26/394482726.db2.gz LHQJGOSBFVHMBI-WLYUNCDWSA-N 2 1 254.418 2.144 20 0 CEADMP CCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000236882862 394488586 /nfs/dbraw/zinc/48/85/86/394488586.db2.gz SOPDGDUQIVQNSR-INIZCTEOSA-N 2 1 291.439 2.270 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1CCc1ccccc1 ZINC000305140244 394495388 /nfs/dbraw/zinc/49/53/88/394495388.db2.gz PVBPRVGLXZCEKI-KSZLIROESA-N 2 1 290.451 2.300 20 0 CEADMP CCC[N@H+](CC(=O)N1CCCC[C@@H]1CC)C1CC[NH2+]CC1 ZINC000037538876 394496504 /nfs/dbraw/zinc/49/65/04/394496504.db2.gz VWZVSZSURHEXGB-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@@H+](CC(=O)N1CCCC[C@@H]1CC)C1CC[NH2+]CC1 ZINC000037538876 394496509 /nfs/dbraw/zinc/49/65/09/394496509.db2.gz VWZVSZSURHEXGB-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CSC1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000310266597 394535179 /nfs/dbraw/zinc/53/51/79/394535179.db2.gz FPVWJCGITRQNBE-GFCCVEGCSA-N 2 1 254.443 2.346 20 0 CEADMP Cc1cncc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000248716562 394546364 /nfs/dbraw/zinc/54/63/64/394546364.db2.gz KTIQREIYDRUUHH-WBVHZDCISA-N 2 1 291.439 2.278 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000257664400 394596130 /nfs/dbraw/zinc/59/61/30/394596130.db2.gz GXSPDLHTJBTXDE-MRXNPFEDSA-N 2 1 260.381 2.271 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000257664400 394596133 /nfs/dbraw/zinc/59/61/33/394596133.db2.gz GXSPDLHTJBTXDE-MRXNPFEDSA-N 2 1 260.381 2.271 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCOC1 ZINC000356833943 394626003 /nfs/dbraw/zinc/62/60/03/394626003.db2.gz FTKRYTGKLKMLHW-YJNKXOJESA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCOC1 ZINC000356833943 394626007 /nfs/dbraw/zinc/62/60/07/394626007.db2.gz FTKRYTGKLKMLHW-YJNKXOJESA-N 2 1 252.402 2.018 20 0 CEADMP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC000333258661 394643437 /nfs/dbraw/zinc/64/34/37/394643437.db2.gz IMZOHSKSJXVQSJ-TXKKKEFDSA-N 2 1 299.418 2.161 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335038773 394729738 /nfs/dbraw/zinc/72/97/38/394729738.db2.gz OWBZBCGVOHVBCW-BBRMVZONSA-N 2 1 273.424 2.475 20 0 CEADMP CC[N@@H+](C)CCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422722668 394740563 /nfs/dbraw/zinc/74/05/63/394740563.db2.gz YLNAAYOXLZOHPD-IAGOWNOFSA-N 2 1 291.439 2.030 20 0 CEADMP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccn(C)n1 ZINC000414057185 394688332 /nfs/dbraw/zinc/68/83/32/394688332.db2.gz FNTIVKVTODWGPX-ZDUSSCGKSA-N 2 1 272.396 2.333 20 0 CEADMP C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)OC1CCCCCC1 ZINC000357083798 394695576 /nfs/dbraw/zinc/69/55/76/394695576.db2.gz QHMBBHCCYTXAFV-CABCVRRESA-N 2 1 266.429 2.267 20 0 CEADMP CC1(C)C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000268825430 394700895 /nfs/dbraw/zinc/70/08/95/394700895.db2.gz ITWDYTMFMLRDRI-YOEHRIQHSA-N 2 1 288.435 2.455 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2C)[C@H](C)C1 ZINC000268939796 394703254 /nfs/dbraw/zinc/70/32/54/394703254.db2.gz SIPKTOQOGMFAKV-HYVNUMGLSA-N 2 1 276.424 2.348 20 0 CEADMP COCc1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000422560132 394710496 /nfs/dbraw/zinc/71/04/96/394710496.db2.gz FUUOOXWYEKVMTJ-UHFFFAOYSA-N 2 1 260.381 2.161 20 0 CEADMP Cc1cccn2c(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cnc12 ZINC000422561097 394710757 /nfs/dbraw/zinc/71/07/57/394710757.db2.gz IZPCIWJUEZNQML-KKUMJFAQSA-N 2 1 286.423 2.448 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc3c(c2)ncn3C)C[C@H]1C[NH3+] ZINC000422561627 394711996 /nfs/dbraw/zinc/71/19/96/394711996.db2.gz MLPZFWQSLKEANT-UMVBOHGHSA-N 2 1 286.423 2.379 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000358254439 394714068 /nfs/dbraw/zinc/71/40/68/394714068.db2.gz PPDHKXOYKUWRHC-ANZJRBOASA-N 2 1 292.467 2.248 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000358254439 394714071 /nfs/dbraw/zinc/71/40/71/394714071.db2.gz PPDHKXOYKUWRHC-ANZJRBOASA-N 2 1 292.467 2.248 20 0 CEADMP Fc1ccc2c(c1)C[N@H+](CC[C@H]1CC[NH2+]C1)CCO2 ZINC000334967901 394723149 /nfs/dbraw/zinc/72/31/49/394723149.db2.gz LHQKUPRQRANRKS-GFCCVEGCSA-N 2 1 264.344 2.020 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000422693500 394724290 /nfs/dbraw/zinc/72/42/90/394724290.db2.gz LXGAHJCZAZDWHP-QMTHXVAHSA-N 2 1 254.324 2.095 20 0 CEADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000414182202 394724369 /nfs/dbraw/zinc/72/43/69/394724369.db2.gz MZXNRHQXONIENI-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@@H+](CCN[C@H]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000422701951 394726989 /nfs/dbraw/zinc/72/69/89/394726989.db2.gz JOYDUCTXMYNWHG-ZBFHGGJFSA-N 2 1 267.461 2.358 20 0 CEADMP COc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1OC ZINC000422700223 394727084 /nfs/dbraw/zinc/72/70/84/394727084.db2.gz BTHUDWMZMMBPFH-JSGCOSHPSA-N 2 1 278.396 2.182 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@]1(C)CCCO1 ZINC000414194559 394727916 /nfs/dbraw/zinc/72/79/16/394727916.db2.gz UKTQMVKXRZUBHY-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP COCC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@@H]1CC[C@H](C)C1 ZINC000414754189 394751351 /nfs/dbraw/zinc/75/13/51/394751351.db2.gz NNSTUXCIPSLCBO-RRFJBIMHSA-N 2 1 256.434 2.497 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCCC[C@@H]2N)CC1 ZINC000422741758 394751696 /nfs/dbraw/zinc/75/16/96/394751696.db2.gz OVYRBCARCYSENU-JKSUJKDBSA-N 2 1 267.461 2.358 20 0 CEADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414822628 394753115 /nfs/dbraw/zinc/75/31/15/394753115.db2.gz NHPDUKJCBIMZSN-ZMSDIMECSA-N 2 1 275.440 2.366 20 0 CEADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000335254546 394753741 /nfs/dbraw/zinc/75/37/41/394753741.db2.gz YGOAJBZVIBMHJG-INIZCTEOSA-N 2 1 274.408 2.182 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422744624 394754488 /nfs/dbraw/zinc/75/44/88/394754488.db2.gz KKFGIJAHJBBVAD-UXLLHSPISA-N 2 1 273.424 2.386 20 0 CEADMP Cc1ccccc1OCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422746897 394756690 /nfs/dbraw/zinc/75/66/90/394756690.db2.gz XLYPBUFGTKDZJH-LSDHHAIUSA-N 2 1 262.397 2.494 20 0 CEADMP Cc1csc(N2CCC([NH2+][C@H](C[NH3+])CC(C)C)CC2)n1 ZINC000414831091 394759121 /nfs/dbraw/zinc/75/91/21/394759121.db2.gz BZGIEVWEBOHGPD-AWEZNQCLSA-N 2 1 296.484 2.383 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(N(C)C)CCCCC1 ZINC000422751664 394759884 /nfs/dbraw/zinc/75/98/84/394759884.db2.gz GJCWKJMALUMGED-CABCVRRESA-N 2 1 267.461 2.229 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000414840307 394764563 /nfs/dbraw/zinc/76/45/63/394764563.db2.gz MYUAFCXNLVCZBT-NSHDSACASA-N 2 1 276.409 2.150 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000414840759 394764922 /nfs/dbraw/zinc/76/49/22/394764922.db2.gz NDZFZPJEKOFGSR-SNVBAGLBSA-N 2 1 268.788 2.220 20 0 CEADMP COc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1OC ZINC000414846246 394767794 /nfs/dbraw/zinc/76/77/94/394767794.db2.gz DVFKRGXUHBBEIU-STQMWFEESA-N 2 1 278.396 2.182 20 0 CEADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414850031 394770670 /nfs/dbraw/zinc/77/06/70/394770670.db2.gz RXAHPYVCMONYAF-ZIAGYGMSSA-N 2 1 275.396 2.054 20 0 CEADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC[C@@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC000414856674 394773311 /nfs/dbraw/zinc/77/33/11/394773311.db2.gz YXQNKRZIENUWSY-XIRDDKMYSA-N 3 1 273.424 2.069 20 0 CEADMP C[C@@H](NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422771257 394773564 /nfs/dbraw/zinc/77/35/64/394773564.db2.gz XHEFWJPNZMQPQJ-RBSFLKMASA-N 2 1 267.461 2.227 20 0 CEADMP CCOc1cc(C[NH2+]CCC[NH2+]C)ccc1OC(F)F ZINC000414858906 394774660 /nfs/dbraw/zinc/77/46/60/394774660.db2.gz LMYMTYISOXRGJQ-UHFFFAOYSA-N 2 1 288.338 2.386 20 0 CEADMP CCC[NH2+]CCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000414862484 394776169 /nfs/dbraw/zinc/77/61/69/394776169.db2.gz AQWFGEGBNZRRSI-NVXWUHKLSA-N 2 1 275.440 2.096 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)N1CCC(C)CC1 ZINC000422776472 394776590 /nfs/dbraw/zinc/77/65/90/394776590.db2.gz DRJHTIIQKDIIIK-BZUAXINKSA-N 2 1 267.461 2.085 20 0 CEADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[NH2+]C2)cc1F ZINC000414870852 394780573 /nfs/dbraw/zinc/78/05/73/394780573.db2.gz SXPUAOFQJHXWOF-JSGCOSHPSA-N 2 1 280.387 2.355 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCN(C)c3ccccc3C2)CC[NH2+]1 ZINC000335628939 394783454 /nfs/dbraw/zinc/78/34/54/394783454.db2.gz RYJYAAROWOQUKK-LSDHHAIUSA-N 2 1 273.424 2.327 20 0 CEADMP COCC1(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CCC1 ZINC000361323399 394823927 /nfs/dbraw/zinc/82/39/27/394823927.db2.gz FPBAWXBZUMCIKJ-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP COCC1(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CCC1 ZINC000361323399 394823931 /nfs/dbraw/zinc/82/39/31/394823931.db2.gz FPBAWXBZUMCIKJ-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP COCC1(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000361323399 394823934 /nfs/dbraw/zinc/82/39/34/394823934.db2.gz FPBAWXBZUMCIKJ-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP COCC1(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC000361323399 394823937 /nfs/dbraw/zinc/82/39/37/394823937.db2.gz FPBAWXBZUMCIKJ-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])N1CCC(C)CC1 ZINC000422786804 394784758 /nfs/dbraw/zinc/78/47/58/394784758.db2.gz QWROSVCMIFUBHH-BZUAXINKSA-N 2 1 267.461 2.356 20 0 CEADMP Cc1nc2ccc(C[NH2+]C[C@H]([NH3+])C3CC3)cc2s1 ZINC000414885197 394787668 /nfs/dbraw/zinc/78/76/68/394787668.db2.gz GEJYCIITNXRWEN-LBPRGKRZSA-N 2 1 261.394 2.432 20 0 CEADMP COc1ccc(C)cc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422790859 394788962 /nfs/dbraw/zinc/78/89/62/394788962.db2.gz UKJZEODRKVSIGU-DZGCQCFKSA-N 2 1 262.397 2.276 20 0 CEADMP Cc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000422791978 394789732 /nfs/dbraw/zinc/78/97/32/394789732.db2.gz WPORCJOMRCLXMZ-UJJTZGENSA-N 2 1 287.451 2.470 20 0 CEADMP CC[C@H]1C[C@H](C[NH2+]CCC[NH2+]Cc2cccnc2)CCO1 ZINC000414890065 394790144 /nfs/dbraw/zinc/79/01/44/394790144.db2.gz ZATFNMDMCLNPSJ-WBVHZDCISA-N 2 1 291.439 2.356 20 0 CEADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422805523 394799595 /nfs/dbraw/zinc/79/95/95/394799595.db2.gz JHKDIKQZYFPHDA-DLBZAZTESA-N 3 1 275.440 2.498 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000422808467 394802124 /nfs/dbraw/zinc/80/21/24/394802124.db2.gz QLBIYFSPSYEPJM-GOEBONIOSA-N 2 1 273.424 2.027 20 0 CEADMP CN(C)c1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c2ccccc2n1 ZINC000422810030 394803303 /nfs/dbraw/zinc/80/33/03/394803303.db2.gz QVVOJBGQJLEGAP-GDBMZVCRSA-N 2 1 284.407 2.270 20 0 CEADMP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414920692 394804120 /nfs/dbraw/zinc/80/41/20/394804120.db2.gz YMWHLTBTSQPADJ-OAHLLOKOSA-N 2 1 270.380 2.104 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422812733 394805223 /nfs/dbraw/zinc/80/52/23/394805223.db2.gz WUABWLNEDLQZPQ-SFYZADRCSA-N 2 1 279.331 2.174 20 0 CEADMP CC(C)CN1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422816723 394808261 /nfs/dbraw/zinc/80/82/61/394808261.db2.gz FXOVBLPZWBJBTC-UHFFFAOYSA-N 2 1 267.461 2.214 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422817945 394809939 /nfs/dbraw/zinc/80/99/39/394809939.db2.gz IUNKRAWRQYPAFK-GDBMZVCRSA-N 3 1 267.461 2.214 20 0 CEADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414943033 394814376 /nfs/dbraw/zinc/81/43/76/394814376.db2.gz KZBNGKOGFAARHE-OLZOCXBDSA-N 2 1 277.412 2.464 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414941464 394814380 /nfs/dbraw/zinc/81/43/80/394814380.db2.gz CQTFNGDPAHUBCY-IUODEOHRSA-N 2 1 299.422 2.114 20 0 CEADMP C[C@H]1[N@@H+](CC[C@@H]2CCC[NH+]2C)CCC12CCOCC2 ZINC000335998128 394817409 /nfs/dbraw/zinc/81/74/09/394817409.db2.gz NHGRLSURBJLPKV-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]1[NH+](CC[C@@H]2CCC[N@@H+]2C)CCC12CCOCC2 ZINC000335998128 394817413 /nfs/dbraw/zinc/81/74/13/394817413.db2.gz NHGRLSURBJLPKV-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]1[NH+](CC[C@@H]2CCC[N@H+]2C)CCC12CCOCC2 ZINC000335998128 394817417 /nfs/dbraw/zinc/81/74/17/394817417.db2.gz NHGRLSURBJLPKV-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422832352 394818439 /nfs/dbraw/zinc/81/84/39/394818439.db2.gz FVPAOZGIQHBBRM-BQJWPVKWSA-N 2 1 279.472 2.370 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1C ZINC000271190511 394749719 /nfs/dbraw/zinc/74/97/19/394749719.db2.gz PNWMOOAPWDRQAL-OAHLLOKOSA-N 2 1 262.397 2.387 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1C ZINC000271190511 394749723 /nfs/dbraw/zinc/74/97/23/394749723.db2.gz PNWMOOAPWDRQAL-OAHLLOKOSA-N 2 1 262.397 2.387 20 0 CEADMP CC(C)(C)CC[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415047660 394863444 /nfs/dbraw/zinc/86/34/44/394863444.db2.gz FIRSZKKLIIDQTN-UHFFFAOYSA-N 2 1 267.461 2.229 20 0 CEADMP COc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1C ZINC000415049325 394863715 /nfs/dbraw/zinc/86/37/15/394863715.db2.gz ABLLVIKVEPNMQZ-AWEZNQCLSA-N 2 1 250.386 2.467 20 0 CEADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1-n1cncn1 ZINC000415051347 394864886 /nfs/dbraw/zinc/86/48/86/394864886.db2.gz JKPMMQDSLFTURL-HNNXBMFYSA-N 2 1 287.411 2.039 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000415058672 394868660 /nfs/dbraw/zinc/86/86/60/394868660.db2.gz VXJJBQCMUJZONC-OCCSQVGLSA-N 2 1 292.379 2.030 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000415058672 394868666 /nfs/dbraw/zinc/86/86/66/394868666.db2.gz VXJJBQCMUJZONC-OCCSQVGLSA-N 2 1 292.379 2.030 20 0 CEADMP CC(C)(C)[NH2+]CC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000415088859 394885187 /nfs/dbraw/zinc/88/51/87/394885187.db2.gz VUAMIJORQXZOEH-OAHLLOKOSA-N 2 1 275.440 2.491 20 0 CEADMP CCCOc1ncccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422971834 394871686 /nfs/dbraw/zinc/87/16/86/394871686.db2.gz JVKZYVSQISFTHZ-NWDGAFQWSA-N 2 1 251.374 2.086 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCCCCC2)CC[N@H+]1C ZINC000129796564 394873305 /nfs/dbraw/zinc/87/33/05/394873305.db2.gz GMHBSZJLPRPOCL-KGLIPLIRSA-N 2 1 254.418 2.144 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000336803360 394875253 /nfs/dbraw/zinc/87/52/53/394875253.db2.gz YDONIYKVOQLBGG-CQSZACIVSA-N 2 1 262.401 2.073 20 0 CEADMP Cc1ccc(-c2cccc(C[N@@H+](C)C[C@H](O)C[NH3+])c2)cc1 ZINC000415073451 394875718 /nfs/dbraw/zinc/87/57/18/394875718.db2.gz YMDDFAKNXZUOKW-GOSISDBHSA-N 2 1 284.403 2.413 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccccc2)c2ccccc21 ZINC000423009406 394879160 /nfs/dbraw/zinc/87/91/60/394879160.db2.gz VNLWXPLJIYADRB-QGTPRVQTSA-N 2 1 282.387 2.497 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423010700 394880106 /nfs/dbraw/zinc/88/01/06/394880106.db2.gz HDSUGSYINSHTPR-UGQVUOCMSA-N 2 1 261.413 2.147 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000423010700 394880109 /nfs/dbraw/zinc/88/01/09/394880109.db2.gz HDSUGSYINSHTPR-UGQVUOCMSA-N 2 1 261.413 2.147 20 0 CEADMP C[C@H]([NH2+]CC1(CCO)CCCCC1)c1c[nH+]ccc1N ZINC000423009934 394880221 /nfs/dbraw/zinc/88/02/21/394880221.db2.gz WNPUMHYEHSYEAU-ZDUSSCGKSA-N 2 1 277.412 2.478 20 0 CEADMP Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)CCC2 ZINC000423010276 394880242 /nfs/dbraw/zinc/88/02/42/394880242.db2.gz XIENXPDEHAYREM-RRFJBIMHSA-N 2 1 276.428 2.189 20 0 CEADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000361491805 394831045 /nfs/dbraw/zinc/83/10/45/394831045.db2.gz AMIXBDLZACSRLK-FZKCQIBNSA-N 2 1 295.471 2.142 20 0 CEADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000361491805 394831046 /nfs/dbraw/zinc/83/10/46/394831046.db2.gz AMIXBDLZACSRLK-FZKCQIBNSA-N 2 1 295.471 2.142 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[NH+]1CCC(C)CC1 ZINC000422858747 394834129 /nfs/dbraw/zinc/83/41/29/394834129.db2.gz JDHLSCFWGZBPPB-CQSZACIVSA-N 2 1 290.455 2.231 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000414978563 394834880 /nfs/dbraw/zinc/83/48/80/394834880.db2.gz TUIBXQRKHRYGON-HNNXBMFYSA-N 2 1 278.444 2.023 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000414981103 394835887 /nfs/dbraw/zinc/83/58/87/394835887.db2.gz QGPNFVHIEYYDRX-ZDUSSCGKSA-N 2 1 272.352 2.096 20 0 CEADMP CCc1ncc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)s1 ZINC000414983325 394836516 /nfs/dbraw/zinc/83/65/16/394836516.db2.gz ZKPGLLDLADKHSK-NSHDSACASA-N 2 1 253.415 2.183 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000361895956 394837411 /nfs/dbraw/zinc/83/74/11/394837411.db2.gz CTQHIIQPXNNCME-RYRKJORJSA-N 2 1 288.435 2.225 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)C1 ZINC000361895956 394837414 /nfs/dbraw/zinc/83/74/14/394837414.db2.gz CTQHIIQPXNNCME-RYRKJORJSA-N 2 1 288.435 2.225 20 0 CEADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]C[Si](C)(C)C ZINC000363705566 394883294 /nfs/dbraw/zinc/88/32/94/394883294.db2.gz JSJAQWSRHXNAFZ-KFWWJZLASA-N 2 1 284.520 2.343 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]C[Si](C)(C)C ZINC000363705566 394883296 /nfs/dbraw/zinc/88/32/96/394883296.db2.gz JSJAQWSRHXNAFZ-KFWWJZLASA-N 2 1 284.520 2.343 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422874228 394842156 /nfs/dbraw/zinc/84/21/56/394842156.db2.gz CIGPHZREAUMPEB-XUWVNRHRSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2N)C1 ZINC000422874228 394842159 /nfs/dbraw/zinc/84/21/59/394842159.db2.gz CIGPHZREAUMPEB-XUWVNRHRSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2N)C1 ZINC000422874228 394842164 /nfs/dbraw/zinc/84/21/64/394842164.db2.gz CIGPHZREAUMPEB-XUWVNRHRSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422878471 394846214 /nfs/dbraw/zinc/84/62/14/394846214.db2.gz JGJMBIUNUTXEFW-FZKCQIBNSA-N 2 1 267.461 2.071 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422878471 394846217 /nfs/dbraw/zinc/84/62/17/394846217.db2.gz JGJMBIUNUTXEFW-FZKCQIBNSA-N 3 1 267.461 2.071 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422878471 394846220 /nfs/dbraw/zinc/84/62/20/394846220.db2.gz JGJMBIUNUTXEFW-FZKCQIBNSA-N 3 1 267.461 2.071 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422880176 394846979 /nfs/dbraw/zinc/84/69/79/394846979.db2.gz NLBABQIWDSUMMN-QXSJWSMHSA-N 3 1 269.477 2.460 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422880176 394846981 /nfs/dbraw/zinc/84/69/81/394846981.db2.gz NLBABQIWDSUMMN-QXSJWSMHSA-N 3 1 269.477 2.460 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423024288 394883741 /nfs/dbraw/zinc/88/37/41/394883741.db2.gz JBJOXNXGNLIFEB-NAZJXLNTSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@H](CN(C)Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423024288 394883744 /nfs/dbraw/zinc/88/37/44/394883744.db2.gz JBJOXNXGNLIFEB-NAZJXLNTSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)[C@H](C)[NH3+] ZINC000415008874 394847679 /nfs/dbraw/zinc/84/76/79/394847679.db2.gz NGISKZWUZBQBFV-WOSRLPQWSA-N 2 1 278.396 2.070 20 0 CEADMP C[C@@H]1CCC[C@@H](C)N1CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422883808 394847916 /nfs/dbraw/zinc/84/79/16/394847916.db2.gz CXRQJLJRYIZFCV-FPCVCCKLSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]1CCNC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422882606 394848202 /nfs/dbraw/zinc/84/82/02/394848202.db2.gz PFJGYOQVXDQJRV-PMPSAXMXSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000422882606 394848203 /nfs/dbraw/zinc/84/82/03/394848203.db2.gz PFJGYOQVXDQJRV-PMPSAXMXSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422882606 394848207 /nfs/dbraw/zinc/84/82/07/394848207.db2.gz PFJGYOQVXDQJRV-PMPSAXMXSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422884613 394848883 /nfs/dbraw/zinc/84/88/83/394848883.db2.gz SEFDBFHNWPUIOO-PMPSAXMXSA-N 3 1 267.461 2.216 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422894172 394854137 /nfs/dbraw/zinc/85/41/37/394854137.db2.gz SLUSCMZZOUBXJS-JKSUJKDBSA-N 2 1 288.439 2.431 20 0 CEADMP c1cncc(-c2cccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)c2)c1 ZINC000415029725 394854921 /nfs/dbraw/zinc/85/49/21/394854921.db2.gz BIGXKVYZWSJUID-GOSISDBHSA-N 2 1 297.402 2.217 20 0 CEADMP Cc1[nH+]ccn1CCN1CCC=C(Br)C1 ZINC000281705243 394857198 /nfs/dbraw/zinc/85/71/98/394857198.db2.gz UCANGKZUKAWLSF-UHFFFAOYSA-N 2 1 270.174 2.176 20 0 CEADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC ZINC000415037684 394858693 /nfs/dbraw/zinc/85/86/93/394858693.db2.gz HCPCEGCCQWMMFV-CQSZACIVSA-N 2 1 278.396 2.311 20 0 CEADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1O ZINC000415041792 394860344 /nfs/dbraw/zinc/86/03/44/394860344.db2.gz LRXGNVOEQYSSBL-HUUCEWRRSA-N 2 1 290.407 2.365 20 0 CEADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1O ZINC000415041792 394860347 /nfs/dbraw/zinc/86/03/47/394860347.db2.gz LRXGNVOEQYSSBL-HUUCEWRRSA-N 2 1 290.407 2.365 20 0 CEADMP CCn1cc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000422913562 394860497 /nfs/dbraw/zinc/86/04/97/394860497.db2.gz QFJFYLFLSKOBHX-UKRRQHHQSA-N 2 1 264.417 2.303 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2)c2ccccc21 ZINC000422913564 394860626 /nfs/dbraw/zinc/86/06/26/394860626.db2.gz QGPXNJWJPFVHSJ-DLBZAZTESA-N 2 1 295.386 2.151 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCOCC(F)(F)F ZINC000130540877 394889622 /nfs/dbraw/zinc/88/96/22/394889622.db2.gz FSFQAQMDZLOOOW-UHFFFAOYSA-N 2 1 293.333 2.482 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCOCC(F)(F)F ZINC000130540877 394889624 /nfs/dbraw/zinc/88/96/24/394889624.db2.gz FSFQAQMDZLOOOW-UHFFFAOYSA-N 2 1 293.333 2.482 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000130747043 394895281 /nfs/dbraw/zinc/89/52/81/394895281.db2.gz YCXMYQRHDWTPKG-GJZGRUSLSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000130746815 394895368 /nfs/dbraw/zinc/89/53/68/394895368.db2.gz YCXMYQRHDWTPKG-CABCVRRESA-N 2 1 295.471 2.003 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)NCCC(C)C ZINC000130794931 394896402 /nfs/dbraw/zinc/89/64/02/394896402.db2.gz XSYOEMUENKFRCV-CQSZACIVSA-N 2 1 294.443 2.064 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)NCCC(C)C ZINC000130794931 394896405 /nfs/dbraw/zinc/89/64/05/394896405.db2.gz XSYOEMUENKFRCV-CQSZACIVSA-N 2 1 294.443 2.064 20 0 CEADMP CC(C)(C)c1ccncc1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415119325 394897028 /nfs/dbraw/zinc/89/70/28/394897028.db2.gz HQIIXRIJZMPDOH-INIZCTEOSA-N 2 1 261.413 2.468 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1C[NH3+] ZINC000415123143 394898276 /nfs/dbraw/zinc/89/82/76/394898276.db2.gz IZQZQKHVSFKLSD-OCCSQVGLSA-N 2 1 264.417 2.055 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1C[NH3+] ZINC000415123143 394898279 /nfs/dbraw/zinc/89/82/79/394898279.db2.gz IZQZQKHVSFKLSD-OCCSQVGLSA-N 2 1 264.417 2.055 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCCCOc1ccccc1 ZINC000415131536 394900031 /nfs/dbraw/zinc/90/00/31/394900031.db2.gz ZFNATXAZDRVWBS-UHFFFAOYSA-N 2 1 250.386 2.387 20 0 CEADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 ZINC000423360720 394900477 /nfs/dbraw/zinc/90/04/77/394900477.db2.gz GFCVCGFAPAWKTG-RYUDHWBXSA-N 2 1 278.400 2.214 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC000415139533 394902818 /nfs/dbraw/zinc/90/28/18/394902818.db2.gz XJDUZSNCPZLVDU-UHFFFAOYSA-N 2 1 258.369 2.118 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC000415139533 394902819 /nfs/dbraw/zinc/90/28/19/394902819.db2.gz XJDUZSNCPZLVDU-UHFFFAOYSA-N 2 1 258.369 2.118 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C12CCCC2 ZINC000423372197 394904317 /nfs/dbraw/zinc/90/43/17/394904317.db2.gz IAWBNBVXXZTERS-APIJFGDWSA-N 2 1 266.429 2.454 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000423369575 394904444 /nfs/dbraw/zinc/90/44/44/394904444.db2.gz SRWXFOALBPLKDD-LMSBXDPUSA-N 2 1 287.451 2.095 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000364465075 394906690 /nfs/dbraw/zinc/90/66/90/394906690.db2.gz ZUBBPDJNHIBAMQ-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H]1CCC[C@](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)([NH+](C)C)C1 ZINC000131252621 394906848 /nfs/dbraw/zinc/90/68/48/394906848.db2.gz ATKGFTDXIMCIKK-NXOAAHMSSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423385785 394909047 /nfs/dbraw/zinc/90/90/47/394909047.db2.gz KURHYUMZQOTALX-DJIMGWMZSA-N 2 1 275.440 2.410 20 0 CEADMP CC[NH2+][C@H](C)CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423385787 394909343 /nfs/dbraw/zinc/90/93/43/394909343.db2.gz KURHYUMZQOTALX-HYVNUMGLSA-N 2 1 275.440 2.410 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC[NH2+]1 ZINC000423390959 394911787 /nfs/dbraw/zinc/91/17/87/394911787.db2.gz WQAPGGOLNDMDLS-VCTAVGKDSA-N 2 1 263.360 2.402 20 0 CEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)c(Cl)c1 ZINC000423420546 394917805 /nfs/dbraw/zinc/91/78/05/394917805.db2.gz BNKMOOWXYRLLNV-UFAOYGAJSA-N 2 1 254.736 2.348 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H](C)CCCC[NH3+] ZINC000423442131 394922180 /nfs/dbraw/zinc/92/21/80/394922180.db2.gz UYWJOAQRVNVZIA-IIAWOOMASA-N 3 1 263.429 2.052 20 0 CEADMP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000423443869 394922225 /nfs/dbraw/zinc/92/22/25/394922225.db2.gz KWAFYNUIOPUCIJ-MDZLAQPJSA-N 2 1 266.385 2.480 20 0 CEADMP Cc1ncccc1O[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000365228588 394922611 /nfs/dbraw/zinc/92/26/11/394922611.db2.gz OHRDXUOZLUVWKC-CVEARBPZSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ncccc1O[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000365228588 394922612 /nfs/dbraw/zinc/92/26/12/394922612.db2.gz OHRDXUOZLUVWKC-CVEARBPZSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ncccc1O[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000365228588 394922614 /nfs/dbraw/zinc/92/26/14/394922614.db2.gz OHRDXUOZLUVWKC-CVEARBPZSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ncccc1O[C@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000365228588 394922616 /nfs/dbraw/zinc/92/26/16/394922616.db2.gz OHRDXUOZLUVWKC-CVEARBPZSA-N 2 1 289.423 2.327 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc2ccccc21 ZINC000423486985 394932248 /nfs/dbraw/zinc/93/22/48/394932248.db2.gz WXQCTZCYEVSFMT-GOEBONIOSA-N 2 1 283.419 2.394 20 0 CEADMP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C(C)C ZINC000423521036 394942610 /nfs/dbraw/zinc/94/26/10/394942610.db2.gz RWRRDMQSYPICNZ-UYSNPLJNSA-N 2 1 267.461 2.227 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)c3ccc(Cl)cc3)C2)C1 ZINC000366547668 394947948 /nfs/dbraw/zinc/94/79/48/394947948.db2.gz AIPQOEREBPVUNE-JKSUJKDBSA-N 2 1 294.826 2.401 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)c3ccc(Cl)cc3)C2)C1 ZINC000366547668 394947951 /nfs/dbraw/zinc/94/79/51/394947951.db2.gz AIPQOEREBPVUNE-JKSUJKDBSA-N 2 1 294.826 2.401 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)c3ccc(Cl)cc3)C2)C1 ZINC000366547668 394947953 /nfs/dbraw/zinc/94/79/53/394947953.db2.gz AIPQOEREBPVUNE-JKSUJKDBSA-N 2 1 294.826 2.401 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)c3ccc(Cl)cc3)C2)C1 ZINC000366547668 394947957 /nfs/dbraw/zinc/94/79/57/394947957.db2.gz AIPQOEREBPVUNE-JKSUJKDBSA-N 2 1 294.826 2.401 20 0 CEADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423568596 394952426 /nfs/dbraw/zinc/95/24/26/394952426.db2.gz VQRGUPMVPIGYJI-LSDHHAIUSA-N 2 1 289.423 2.160 20 0 CEADMP CCOCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340186973 394980854 /nfs/dbraw/zinc/98/08/54/394980854.db2.gz OAUJJZCZMZROBN-JKSUJKDBSA-N 2 1 262.397 2.448 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371304158 395027026 /nfs/dbraw/zinc/02/70/26/395027026.db2.gz ROUGAJZFOREVLZ-HZPDHXFCSA-N 2 1 281.488 2.380 20 0 CEADMP CCOCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340186973 394980857 /nfs/dbraw/zinc/98/08/57/394980857.db2.gz OAUJJZCZMZROBN-JKSUJKDBSA-N 2 1 262.397 2.448 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152030804 394984927 /nfs/dbraw/zinc/98/49/27/394984927.db2.gz ZBIBJRBZRSKJHE-KGLIPLIRSA-N 2 1 256.434 2.390 20 0 CEADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340397265 394985103 /nfs/dbraw/zinc/98/51/03/394985103.db2.gz YSAQHRPZQHVSEO-PMPSAXMXSA-N 2 1 262.397 2.182 20 0 CEADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340397265 394985106 /nfs/dbraw/zinc/98/51/06/394985106.db2.gz YSAQHRPZQHVSEO-PMPSAXMXSA-N 2 1 262.397 2.182 20 0 CEADMP CC(C)CCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368928224 394993958 /nfs/dbraw/zinc/99/39/58/394993958.db2.gz CPIJLHIYBUBESI-SJORKVTESA-N 2 1 281.488 2.380 20 0 CEADMP C[C@@H](C(=O)N(C)CCC[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000339435616 394959504 /nfs/dbraw/zinc/95/95/04/394959504.db2.gz BEGWCKQVMKKMIY-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134875497 394959774 /nfs/dbraw/zinc/95/97/74/394959774.db2.gz KSLBAXQYRXWZIF-ZBFHGGJFSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134875497 394959779 /nfs/dbraw/zinc/95/97/79/394959779.db2.gz KSLBAXQYRXWZIF-ZBFHGGJFSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134875497 394959782 /nfs/dbraw/zinc/95/97/82/394959782.db2.gz KSLBAXQYRXWZIF-ZBFHGGJFSA-N 2 1 266.429 2.360 20 0 CEADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000339429527 394959792 /nfs/dbraw/zinc/95/97/92/394959792.db2.gz UFGQPDOTGGWPTF-QGZVFWFLSA-N 2 1 276.424 2.176 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000285846405 394972029 /nfs/dbraw/zinc/97/20/29/394972029.db2.gz XQQDHPKHCJTDRR-AWEZNQCLSA-N 2 1 299.422 2.402 20 0 CEADMP CO[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(F)(F)F ZINC000345478173 395067418 /nfs/dbraw/zinc/06/74/18/395067418.db2.gz GFTLGQDKEVPGRA-IJLUTSLNSA-N 2 1 280.334 2.170 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cn1 ZINC000425941406 395070661 /nfs/dbraw/zinc/07/06/61/395070661.db2.gz DBDKOJVOIXKBKR-STQMWFEESA-N 2 1 252.406 2.312 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COc3ccccc32)CC[N@H+]1C ZINC000158243773 395041826 /nfs/dbraw/zinc/04/18/26/395041826.db2.gz WMYHHUIDPTVTBR-MCIONIFRSA-N 2 1 260.381 2.235 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494656340 395132246 /nfs/dbraw/zinc/13/22/46/395132246.db2.gz OFJNWHOXUPQZDP-XUWVNRHRSA-N 2 1 295.471 2.001 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cncc(F)c1 ZINC000494609818 395125843 /nfs/dbraw/zinc/12/58/43/395125843.db2.gz UIAOEADDFXFLDJ-UHFFFAOYSA-N 2 1 262.332 2.296 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000376020035 395107057 /nfs/dbraw/zinc/10/70/57/395107057.db2.gz DEGBLGQLKWFVTE-HNNXBMFYSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000376020035 395107061 /nfs/dbraw/zinc/10/70/61/395107061.db2.gz DEGBLGQLKWFVTE-HNNXBMFYSA-N 2 1 268.445 2.344 20 0 CEADMP CO[C@@]1(C)CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000348232815 395139924 /nfs/dbraw/zinc/13/99/24/395139924.db2.gz QKWAYKKKHODRRD-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@@]1(C)CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000348232815 395139925 /nfs/dbraw/zinc/13/99/25/395139925.db2.gz QKWAYKKKHODRRD-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@@]1(C)CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000348232815 395139926 /nfs/dbraw/zinc/13/99/26/395139926.db2.gz QKWAYKKKHODRRD-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000494818802 395148271 /nfs/dbraw/zinc/14/82/71/395148271.db2.gz DZLMNYORXFSWAW-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1C1CCOCC1 ZINC000348926099 395154730 /nfs/dbraw/zinc/15/47/30/395154730.db2.gz GJSGTSPLRNXMJC-HOTGVXAUSA-N 2 1 266.429 2.362 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351712189 395230158 /nfs/dbraw/zinc/23/01/58/395230158.db2.gz NHPWBEUARHUGIF-VNQPRFMTSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351712189 395230160 /nfs/dbraw/zinc/23/01/60/395230160.db2.gz NHPWBEUARHUGIF-VNQPRFMTSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351712189 395230163 /nfs/dbraw/zinc/23/01/63/395230163.db2.gz NHPWBEUARHUGIF-VNQPRFMTSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351712189 395230165 /nfs/dbraw/zinc/23/01/65/395230165.db2.gz NHPWBEUARHUGIF-VNQPRFMTSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351717737 395230597 /nfs/dbraw/zinc/23/05/97/395230597.db2.gz OWLOIVZBOMJGOK-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351717737 395230602 /nfs/dbraw/zinc/23/06/02/395230602.db2.gz OWLOIVZBOMJGOK-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351717737 395230605 /nfs/dbraw/zinc/23/06/05/395230605.db2.gz OWLOIVZBOMJGOK-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351717737 395230608 /nfs/dbraw/zinc/23/06/08/395230608.db2.gz OWLOIVZBOMJGOK-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH2+]CCCN1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000382717464 395183221 /nfs/dbraw/zinc/18/32/21/395183221.db2.gz HISFTYQQBGSPON-MRXNPFEDSA-N 2 1 275.440 2.192 20 0 CEADMP O[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C12CCCC2 ZINC000292818301 395206669 /nfs/dbraw/zinc/20/66/69/395206669.db2.gz SNBSNWOMHPACFO-HNNXBMFYSA-N 2 1 298.390 2.147 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000438196675 395210385 /nfs/dbraw/zinc/21/03/85/395210385.db2.gz DKGQAXYGTWYTTG-GJZGRUSLSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1ccc2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cn2c1 ZINC000397286721 395221551 /nfs/dbraw/zinc/22/15/51/395221551.db2.gz UXRJNUWXLYEMSN-KKUMJFAQSA-N 2 1 286.423 2.448 20 0 CEADMP Cc1ccc2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cn2c1 ZINC000397286721 395221558 /nfs/dbraw/zinc/22/15/58/395221558.db2.gz UXRJNUWXLYEMSN-KKUMJFAQSA-N 2 1 286.423 2.448 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)sn1 ZINC000404457000 395283905 /nfs/dbraw/zinc/28/39/05/395283905.db2.gz KOKLXFMEYFZRDA-LLVKDONJSA-N 2 1 251.399 2.025 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)sn1 ZINC000404457000 395283910 /nfs/dbraw/zinc/28/39/10/395283910.db2.gz KOKLXFMEYFZRDA-LLVKDONJSA-N 2 1 251.399 2.025 20 0 CEADMP CC(C)C[C@H](CO)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000189239142 395325332 /nfs/dbraw/zinc/32/53/32/395325332.db2.gz APRJIZIOZUUUFK-OAHLLOKOSA-N 2 1 256.434 2.201 20 0 CEADMP CC1CCC(N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000420322055 395326132 /nfs/dbraw/zinc/32/61/32/395326132.db2.gz RXGRPWRGZLWSLG-AQFXKWCLSA-N 2 1 279.472 2.182 20 0 CEADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000420291867 395299161 /nfs/dbraw/zinc/29/91/61/395299161.db2.gz OEEZTYPURUXBSL-CYBMUJFWSA-N 2 1 283.460 2.083 20 0 CEADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000420291867 395299163 /nfs/dbraw/zinc/29/91/63/395299163.db2.gz OEEZTYPURUXBSL-CYBMUJFWSA-N 2 1 283.460 2.083 20 0 CEADMP C[C@@H]1CCC[C@H](C)C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420295319 395301125 /nfs/dbraw/zinc/30/11/25/395301125.db2.gz CEJNPCZOTMVIQW-MVJTYMMSSA-N 2 1 290.451 2.428 20 0 CEADMP C[C@@H]1CCC[C@H](C)C[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420295319 395301128 /nfs/dbraw/zinc/30/11/28/395301128.db2.gz CEJNPCZOTMVIQW-MVJTYMMSSA-N 2 1 290.451 2.428 20 0 CEADMP C[C@@H]1CCC[C@H](C)C[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420295319 395301130 /nfs/dbraw/zinc/30/11/30/395301130.db2.gz CEJNPCZOTMVIQW-MVJTYMMSSA-N 2 1 290.451 2.428 20 0 CEADMP COCC[N@H+](CCc1ccccc1)CC[C@H]1CC[NH2+]C1 ZINC000420296860 395302145 /nfs/dbraw/zinc/30/21/45/395302145.db2.gz CFCCRQQTXATLOS-QGZVFWFLSA-N 2 1 276.424 2.177 20 0 CEADMP CCCO[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420297168 395302868 /nfs/dbraw/zinc/30/28/68/395302868.db2.gz FRFVGTUAUXBGIB-GJZGRUSLSA-N 2 1 254.418 2.267 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC(C)(C)C2)cc1 ZINC000420298178 395304456 /nfs/dbraw/zinc/30/44/56/395304456.db2.gz GYGMUDKCOSNSFO-CQSZACIVSA-N 2 1 262.397 2.469 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)s1 ZINC000420303666 395309140 /nfs/dbraw/zinc/30/91/40/395309140.db2.gz IBEDFCLMZGMSMW-CYZMBNFOSA-N 2 1 294.420 2.012 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)s1 ZINC000420303666 395309144 /nfs/dbraw/zinc/30/91/44/395309144.db2.gz IBEDFCLMZGMSMW-CYZMBNFOSA-N 2 1 294.420 2.012 20 0 CEADMP Cc1cnn([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000420308492 395313034 /nfs/dbraw/zinc/31/30/34/395313034.db2.gz CUCFYBDESWQUMW-HZPDHXFCSA-N 2 1 276.428 2.218 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420311531 395314929 /nfs/dbraw/zinc/31/49/29/395314929.db2.gz HDMKXJVQHUYXFP-RDJZCZTQSA-N 3 1 279.472 2.040 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420311531 395314933 /nfs/dbraw/zinc/31/49/33/395314933.db2.gz HDMKXJVQHUYXFP-RDJZCZTQSA-N 3 1 279.472 2.040 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420311531 395314938 /nfs/dbraw/zinc/31/49/38/395314938.db2.gz HDMKXJVQHUYXFP-RDJZCZTQSA-N 2 1 279.472 2.040 20 0 CEADMP Fc1cccc([C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)c1 ZINC000420312700 395316548 /nfs/dbraw/zinc/31/65/48/395316548.db2.gz XBDWGJSBFQIKOZ-BBRMVZONSA-N 2 1 278.371 2.199 20 0 CEADMP Fc1cccc([C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)c1 ZINC000420312700 395316551 /nfs/dbraw/zinc/31/65/51/395316551.db2.gz XBDWGJSBFQIKOZ-BBRMVZONSA-N 2 1 278.371 2.199 20 0 CEADMP CO[C@@H](C)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434670008 395319522 /nfs/dbraw/zinc/31/95/22/395319522.db2.gz ODPKGUYZNDRKHL-ZDUSSCGKSA-N 2 1 277.412 2.434 20 0 CEADMP CCc1cnc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)s1 ZINC000420319774 395322231 /nfs/dbraw/zinc/32/22/31/395322231.db2.gz PKULDECORHNKDC-LLVKDONJSA-N 2 1 253.415 2.137 20 0 CEADMP CO[C@@H](CC(C)C)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000419222157 395255004 /nfs/dbraw/zinc/25/50/04/395255004.db2.gz WVHLIDXFUWRVFB-GJZGRUSLSA-N 2 1 256.434 2.321 20 0 CEADMP CO[C@@H](CC(C)C)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000419222157 395255008 /nfs/dbraw/zinc/25/50/08/395255008.db2.gz WVHLIDXFUWRVFB-GJZGRUSLSA-N 2 1 256.434 2.321 20 0 CEADMP CO[C@@H](CC(C)C)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000419222157 395255010 /nfs/dbraw/zinc/25/50/10/395255010.db2.gz WVHLIDXFUWRVFB-GJZGRUSLSA-N 2 1 256.434 2.321 20 0 CEADMP CO[C@@H](CC(C)C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000419292570 395255452 /nfs/dbraw/zinc/25/54/52/395255452.db2.gz TVXCRQGEXDYDIN-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@@H](CC(C)C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000419292570 395255455 /nfs/dbraw/zinc/25/54/55/395255455.db2.gz TVXCRQGEXDYDIN-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@@H](CC(C)C)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000419292570 395255460 /nfs/dbraw/zinc/25/54/60/395255460.db2.gz TVXCRQGEXDYDIN-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@H]([NH3+])CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000420366080 395354165 /nfs/dbraw/zinc/35/41/65/395354165.db2.gz FKXTYDJBFZLFLB-RYQLBKOJSA-N 2 1 287.451 2.320 20 0 CEADMP C(C[N@H+]1CCO[C@@H](C2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420368813 395355617 /nfs/dbraw/zinc/35/56/17/395355617.db2.gz ILLMXMNMCIKCES-GOEBONIOSA-N 2 1 266.429 2.267 20 0 CEADMP CC[N@@H+](CCC1CCN(C[C@@H](C)[NH3+])CC1)CC1CC1 ZINC000420370009 395355787 /nfs/dbraw/zinc/35/57/87/395355787.db2.gz JIHNEHOHGLUHTH-CQSZACIVSA-N 2 1 267.461 2.168 20 0 CEADMP CC[N@H+](CCC1CC[NH+](C[C@@H](C)[NH3+])CC1)CC1CC1 ZINC000420370009 395355792 /nfs/dbraw/zinc/35/57/92/395355792.db2.gz JIHNEHOHGLUHTH-CQSZACIVSA-N 3 1 267.461 2.168 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](C)[NH3+])CC1)CC1CC1 ZINC000420370009 395355794 /nfs/dbraw/zinc/35/57/94/395355794.db2.gz JIHNEHOHGLUHTH-CQSZACIVSA-N 3 1 267.461 2.168 20 0 CEADMP CC[N@H+](CCC1CC[NH+](C[C@@H](C)N)CC1)CC1CC1 ZINC000420370009 395355800 /nfs/dbraw/zinc/35/58/00/395355800.db2.gz JIHNEHOHGLUHTH-CQSZACIVSA-N 2 1 267.461 2.168 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](C)N)CC1)CC1CC1 ZINC000420370009 395355804 /nfs/dbraw/zinc/35/58/04/395355804.db2.gz JIHNEHOHGLUHTH-CQSZACIVSA-N 2 1 267.461 2.168 20 0 CEADMP C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420371596 395357068 /nfs/dbraw/zinc/35/70/68/395357068.db2.gz KODMTNISEMYGAK-CPUCHLNUSA-N 2 1 274.408 2.310 20 0 CEADMP CCCNC(=O)[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000435326483 395364610 /nfs/dbraw/zinc/36/46/10/395364610.db2.gz DBCMJTNANMGSMC-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCNC(=O)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000435326483 395364614 /nfs/dbraw/zinc/36/46/14/395364614.db2.gz DBCMJTNANMGSMC-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCNC(=O)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000435326483 395364617 /nfs/dbraw/zinc/36/46/17/395364617.db2.gz DBCMJTNANMGSMC-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP c1cncc(CC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420402466 395371047 /nfs/dbraw/zinc/37/10/47/395371047.db2.gz QKXHJEMDIRUNRE-HOTGVXAUSA-N 2 1 259.397 2.088 20 0 CEADMP CC[C@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)OC ZINC000412974500 395371973 /nfs/dbraw/zinc/37/19/73/395371973.db2.gz BAJKFZDMCBQJPL-HUUCEWRRSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)OC ZINC000412974500 395371976 /nfs/dbraw/zinc/37/19/76/395371976.db2.gz BAJKFZDMCBQJPL-HUUCEWRRSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)OC ZINC000412974500 395371981 /nfs/dbraw/zinc/37/19/81/395371981.db2.gz BAJKFZDMCBQJPL-HUUCEWRRSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)[C@@H](C)[NH3+])c1 ZINC000192101888 395373014 /nfs/dbraw/zinc/37/30/14/395373014.db2.gz FKBXUNVJUJYNKY-ZIAGYGMSSA-N 2 1 291.439 2.126 20 0 CEADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000420416214 395375826 /nfs/dbraw/zinc/37/58/26/395375826.db2.gz VKMFKLQSYMQQPD-OLZOCXBDSA-N 2 1 293.386 2.071 20 0 CEADMP Cc1[nH]nc2ncc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc12 ZINC000355233079 395376672 /nfs/dbraw/zinc/37/66/72/395376672.db2.gz DKLPGIXPGXYBTA-GOEBONIOSA-N 2 1 299.422 2.182 20 0 CEADMP CCOCCC[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435736308 395385182 /nfs/dbraw/zinc/38/51/82/395385182.db2.gz WDWKXVVPLBQBPF-CQSZACIVSA-N 2 1 297.468 2.290 20 0 CEADMP CCOCCC[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435736308 395385185 /nfs/dbraw/zinc/38/51/85/395385185.db2.gz WDWKXVVPLBQBPF-CQSZACIVSA-N 2 1 297.468 2.290 20 0 CEADMP CO[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000441347029 395387105 /nfs/dbraw/zinc/38/71/05/395387105.db2.gz KKCTVMNQWOCYBG-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP C[C@H]1COCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000192681669 395390219 /nfs/dbraw/zinc/39/02/19/395390219.db2.gz JCBFAFRMRCAGAG-HOTGVXAUSA-N 2 1 296.455 2.036 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000435885122 395393836 /nfs/dbraw/zinc/39/38/36/395393836.db2.gz FWZORHDWZWHVSF-GFCCVEGCSA-N 2 1 253.415 2.240 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000435885122 395393842 /nfs/dbraw/zinc/39/38/42/395393842.db2.gz FWZORHDWZWHVSF-GFCCVEGCSA-N 2 1 253.415 2.240 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442782532 395395105 /nfs/dbraw/zinc/39/51/05/395395105.db2.gz OHDNIZUZCCXEKK-KCQAQPDRSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442782532 395395106 /nfs/dbraw/zinc/39/51/06/395395106.db2.gz OHDNIZUZCCXEKK-KCQAQPDRSA-N 2 1 289.423 2.245 20 0 CEADMP Cc1ccc(CC[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420325528 395328048 /nfs/dbraw/zinc/32/80/48/395328048.db2.gz IRORXFRHQYTPOV-QGZVFWFLSA-N 2 1 288.435 2.225 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327597 395329201 /nfs/dbraw/zinc/32/92/01/395329201.db2.gz LOAJIGGLCUIRCP-HZPDHXFCSA-N 2 1 296.455 2.431 20 0 CEADMP c1ccc([C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420326751 395329391 /nfs/dbraw/zinc/32/93/91/395329391.db2.gz XOBAACPCMGQUHE-WBVHZDCISA-N 2 1 274.408 2.450 20 0 CEADMP CC[C@@H](C)[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442864847 395396222 /nfs/dbraw/zinc/39/62/22/395396222.db2.gz APWCCVIEXNPPKO-KGLIPLIRSA-N 2 1 255.450 2.037 20 0 CEADMP CC[C@H](C)[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442864849 395396295 /nfs/dbraw/zinc/39/62/95/395396295.db2.gz APWCCVIEXNPPKO-UONOGXRCSA-N 2 1 255.450 2.037 20 0 CEADMP FC(F)(F)CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332506 395332834 /nfs/dbraw/zinc/33/28/34/395332834.db2.gz DCEZRKDUDCOYCB-GHMZBOCLSA-N 2 1 250.308 2.260 20 0 CEADMP FC(F)(F)CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332512 395332915 /nfs/dbraw/zinc/33/29/15/395332915.db2.gz DCEZRKDUDCOYCB-QWRGUYRKSA-N 2 1 250.308 2.260 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccccc2)CC12CCOCC2 ZINC000420332135 395333016 /nfs/dbraw/zinc/33/30/16/395333016.db2.gz RJGDFRREJQJFFN-KRWDZBQOSA-N 2 1 288.435 2.307 20 0 CEADMP C[N@@H+](CCCc1cccc2ccccc21)C[C@@H](O)C[NH3+] ZINC000420348859 395339618 /nfs/dbraw/zinc/33/96/18/395339618.db2.gz BESBHDOJIPKBPS-INIZCTEOSA-N 2 1 272.392 2.024 20 0 CEADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000420350536 395339901 /nfs/dbraw/zinc/33/99/01/395339901.db2.gz TVNRKFDDIBPVFF-BRWVUGGUSA-N 2 1 279.472 2.182 20 0 CEADMP c1ccc(CC[C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420353058 395340959 /nfs/dbraw/zinc/34/09/59/395340959.db2.gz BFZKKRBKVJBBBE-ZWKOTPCHSA-N 2 1 288.435 2.320 20 0 CEADMP CCOC(=O)C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420352890 395341372 /nfs/dbraw/zinc/34/13/72/395341372.db2.gz AWVOIZRVHVMSQX-HNNXBMFYSA-N 2 1 290.407 2.051 20 0 CEADMP CCOC(=O)C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420352890 395341374 /nfs/dbraw/zinc/34/13/74/395341374.db2.gz AWVOIZRVHVMSQX-HNNXBMFYSA-N 2 1 290.407 2.051 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCCCCO ZINC000435053996 395348051 /nfs/dbraw/zinc/34/80/51/395348051.db2.gz ZEDPGYDMUMVHAF-UHFFFAOYSA-N 2 1 288.395 2.170 20 0 CEADMP CN(CC1CCCCC1)C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420364399 395351581 /nfs/dbraw/zinc/35/15/81/395351581.db2.gz OWELEEZHFBMGST-HNNXBMFYSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCN1CC(F)F ZINC000420366885 395353362 /nfs/dbraw/zinc/35/33/62/395353362.db2.gz UZZGDEOYYXZOOW-KBPBESRZSA-N 2 1 289.414 2.037 20 0 CEADMP CCC[C@]1(CO)CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000444766813 395453432 /nfs/dbraw/zinc/45/34/32/395453432.db2.gz NJPNNABXGQTSFB-OAHLLOKOSA-N 2 1 265.401 2.209 20 0 CEADMP CCC[C@]1(CO)CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000444766813 395453437 /nfs/dbraw/zinc/45/34/37/395453437.db2.gz NJPNNABXGQTSFB-OAHLLOKOSA-N 2 1 265.401 2.209 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO[C@@H]2CCCCO2)[C@H](C)C1 ZINC000193072866 395401015 /nfs/dbraw/zinc/40/10/15/395401015.db2.gz YOUFIQUKVOPXSY-OWCLPIDISA-N 2 1 284.444 2.192 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NCC[NH+]2CCCC(C)(C)C2)C1 ZINC000444030947 395412642 /nfs/dbraw/zinc/41/26/42/395412642.db2.gz LJJANFPVPXYLFD-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCC[NH+]2CCCC(C)(C)C2)C1 ZINC000444030947 395412644 /nfs/dbraw/zinc/41/26/44/395412644.db2.gz LJJANFPVPXYLFD-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NCC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000444030947 395412648 /nfs/dbraw/zinc/41/26/48/395412648.db2.gz LJJANFPVPXYLFD-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NCC[N@H+]2CCCC(C)(C)C2)C1 ZINC000444030947 395412651 /nfs/dbraw/zinc/41/26/51/395412651.db2.gz LJJANFPVPXYLFD-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1coc(C[NH3+])c1 ZINC000444171085 395419647 /nfs/dbraw/zinc/41/96/47/395419647.db2.gz OUMGCFVFKNCYGL-CQSZACIVSA-N 2 1 293.411 2.123 20 0 CEADMP COC(=O)[C@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000355380252 395429337 /nfs/dbraw/zinc/42/93/37/395429337.db2.gz HWQQHIRMXXZIRR-ZFWWWQNUSA-N 2 1 293.411 2.103 20 0 CEADMP COC(=O)[C@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000355380252 395429339 /nfs/dbraw/zinc/42/93/39/395429339.db2.gz HWQQHIRMXXZIRR-ZFWWWQNUSA-N 2 1 293.411 2.103 20 0 CEADMP O[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000420907811 395435166 /nfs/dbraw/zinc/43/51/66/395435166.db2.gz VNSZUBMWOFMKPP-YESZJQIVSA-N 2 1 280.456 2.345 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000566230139 395506760 /nfs/dbraw/zinc/50/67/60/395506760.db2.gz LABXYOCYEKSGGH-KRWDZBQOSA-N 2 1 273.424 2.398 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000448022135 395507232 /nfs/dbraw/zinc/50/72/32/395507232.db2.gz MRSIDWVPLKXVGS-PMPSAXMXSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000448022135 395507234 /nfs/dbraw/zinc/50/72/34/395507234.db2.gz MRSIDWVPLKXVGS-PMPSAXMXSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000448022135 395507236 /nfs/dbraw/zinc/50/72/36/395507236.db2.gz MRSIDWVPLKXVGS-PMPSAXMXSA-N 2 1 279.472 2.323 20 0 CEADMP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000448022135 395507237 /nfs/dbraw/zinc/50/72/37/395507237.db2.gz MRSIDWVPLKXVGS-PMPSAXMXSA-N 2 1 279.472 2.323 20 0 CEADMP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000448022135 395507238 /nfs/dbraw/zinc/50/72/38/395507238.db2.gz MRSIDWVPLKXVGS-PMPSAXMXSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](C[NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000566294047 395510754 /nfs/dbraw/zinc/51/07/54/395510754.db2.gz PMUBDXSQZXIKIT-GJZGRUSLSA-N 2 1 295.471 2.084 20 0 CEADMP CCn1c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])nc2ccccc21 ZINC000565596622 395477873 /nfs/dbraw/zinc/47/78/73/395477873.db2.gz FQDSLEKZDHATRD-RYUDHWBXSA-N 2 1 260.385 2.272 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCCC(C)(C)C2)CC1 ZINC000446063270 395480545 /nfs/dbraw/zinc/48/05/45/395480545.db2.gz XOTPNCOZAUNOLN-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCCC(C)(C)C2)CC1 ZINC000446063270 395480546 /nfs/dbraw/zinc/48/05/46/395480546.db2.gz XOTPNCOZAUNOLN-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](COC)C2CCCC2)C1 ZINC000446750059 395497922 /nfs/dbraw/zinc/49/79/22/395497922.db2.gz DPGZFVUZJJSFDZ-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H](c1ccccc1Cl)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261873628 299654815 /nfs/dbraw/zinc/65/48/15/299654815.db2.gz ZKQQQIVCGYHNHG-KGLIPLIRSA-N 2 1 293.842 2.381 20 0 CEADMP CC1CCC([NH2+]C2(CCO)CC[NH+](C)CC2)CC1 ZINC000569259179 395575590 /nfs/dbraw/zinc/57/55/90/395575590.db2.gz UURIHOFUMOTVLX-UHFFFAOYSA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)CC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000574070893 395625878 /nfs/dbraw/zinc/62/58/78/395625878.db2.gz ANWFTQBLMQPWDL-HOTGVXAUSA-N 2 1 270.461 2.351 20 0 CEADMP Cc1ccccc1C(C)(C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000575377221 395661727 /nfs/dbraw/zinc/66/17/27/395661727.db2.gz INBMRSSZPHLGPG-INIZCTEOSA-N 2 1 290.451 2.317 20 0 CEADMP Cc1ccccc1C(C)(C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000575377221 395661729 /nfs/dbraw/zinc/66/17/29/395661729.db2.gz INBMRSSZPHLGPG-INIZCTEOSA-N 2 1 290.451 2.317 20 0 CEADMP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343695 395707034 /nfs/dbraw/zinc/70/70/34/395707034.db2.gz AIYOVSKEVIXIHA-JQHSSLGASA-N 2 1 298.434 2.207 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000647509931 395724216 /nfs/dbraw/zinc/72/42/16/395724216.db2.gz YIDHDXDMSFLYSK-OCCSQVGLSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H](C[N@@H+](C)CCN1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000647492703 395721138 /nfs/dbraw/zinc/72/11/38/395721138.db2.gz UMOAOYNYVXCUAS-CQSZACIVSA-N 2 1 295.858 2.281 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3cnccc3c2)CC[C@@H]1[NH3+] ZINC000647496344 395721560 /nfs/dbraw/zinc/72/15/60/395721560.db2.gz VIXFLVPDCHPLEA-WBMJQRKESA-N 2 1 255.365 2.404 20 0 CEADMP COc1cccc(OCCC[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)c1 ZINC000647548622 395732670 /nfs/dbraw/zinc/73/26/70/395732670.db2.gz LDRHSPLUYDBVQD-KBPBESRZSA-N 2 1 278.396 2.052 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(C)(C)[NH3+] ZINC000647515670 395724914 /nfs/dbraw/zinc/72/49/14/395724914.db2.gz YZNLMFCHYRRSPN-OAHLLOKOSA-N 2 1 275.440 2.320 20 0 CEADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543323 395730756 /nfs/dbraw/zinc/73/07/56/395730756.db2.gz LADAUAYRZJGYKC-HUUCEWRRSA-N 2 1 276.428 2.238 20 0 CEADMP c1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543356 395731670 /nfs/dbraw/zinc/73/16/70/395731670.db2.gz LQRWPBIPBLSCHE-STQMWFEESA-N 2 1 265.426 2.355 20 0 CEADMP C(c1nc2c(s1)CCCC2)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647544560 395731698 /nfs/dbraw/zinc/73/16/98/395731698.db2.gz WDQNQFOTOJWMOU-BETUJISGSA-N 2 1 291.464 2.453 20 0 CEADMP C[NH2+]C[C@H]1CCCN(c2[nH+]cnc3[nH]c(C)c(C)c32)C1 ZINC000647703812 395746596 /nfs/dbraw/zinc/74/65/96/395746596.db2.gz CCDYQSAHAFAEAC-GFCCVEGCSA-N 2 1 273.384 2.011 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c2c1C ZINC000647707402 395747330 /nfs/dbraw/zinc/74/73/30/395747330.db2.gz KEELGMPDQPXRQS-YNEHKIRRSA-N 2 1 285.395 2.138 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1cncc(OCc2ccccc2)c1 ZINC000647847564 395762910 /nfs/dbraw/zinc/76/29/10/395762910.db2.gz UZDPOUFSMCZXPZ-UHFFFAOYSA-N 2 1 285.391 2.441 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cncc(OCc2ccccc2)c1 ZINC000647847564 395762912 /nfs/dbraw/zinc/76/29/12/395762912.db2.gz UZDPOUFSMCZXPZ-UHFFFAOYSA-N 2 1 285.391 2.441 20 0 CEADMP Cc1cc(CO)cc(N(C)C2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000647853936 395764193 /nfs/dbraw/zinc/76/41/93/395764193.db2.gz QRTHRSYWTCGDAI-UHFFFAOYSA-N 2 1 277.412 2.191 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000647888113 395769709 /nfs/dbraw/zinc/76/97/09/395769709.db2.gz NGIFCQLSTNTULV-KBUPBQIOSA-N 2 1 266.429 2.121 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903000 395770694 /nfs/dbraw/zinc/77/06/94/395770694.db2.gz DTBRRDBKZRWWGC-JKSUJKDBSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903000 395770695 /nfs/dbraw/zinc/77/06/95/395770695.db2.gz DTBRRDBKZRWWGC-JKSUJKDBSA-N 3 1 276.428 2.046 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](C[C@@]2(C)CCCS2)CC1 ZINC000647911132 395772413 /nfs/dbraw/zinc/77/24/13/395772413.db2.gz SJYHQKMSTVKPOH-OAHLLOKOSA-N 2 1 286.485 2.051 20 0 CEADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976838 395793206 /nfs/dbraw/zinc/79/32/06/395793206.db2.gz UUGBLAWMBKDHFL-RBSFLKMASA-N 2 1 295.471 2.001 20 0 CEADMP CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976463 395793535 /nfs/dbraw/zinc/79/35/35/395793535.db2.gz OUONAEPJMFSZMN-JYJNAYRXSA-N 2 1 295.471 2.003 20 0 CEADMP CCc1noc([C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647976067 395793714 /nfs/dbraw/zinc/79/37/14/395793714.db2.gz JSMOVIONZUHCLO-IHRRRGAJSA-N 2 1 292.427 2.405 20 0 CEADMP Cc1noc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647976488 395793722 /nfs/dbraw/zinc/79/37/22/395793722.db2.gz PHTZUIKJYFWKRG-YUTCNCBUSA-N 2 1 278.400 2.151 20 0 CEADMP Cc1nnc([C@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)[nH]1 ZINC000647988521 395796370 /nfs/dbraw/zinc/79/63/70/395796370.db2.gz WLSMWNXSNBIQCS-HNNXBMFYSA-N 2 1 291.443 2.072 20 0 CEADMP Cc1n[nH]c([C@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000647988521 395796375 /nfs/dbraw/zinc/79/63/75/395796375.db2.gz WLSMWNXSNBIQCS-HNNXBMFYSA-N 2 1 291.443 2.072 20 0 CEADMP Cc1n[nH]c([C@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000647988521 395796377 /nfs/dbraw/zinc/79/63/77/395796377.db2.gz WLSMWNXSNBIQCS-HNNXBMFYSA-N 2 1 291.443 2.072 20 0 CEADMP Cc1nc([C@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n[nH]1 ZINC000647988521 395796379 /nfs/dbraw/zinc/79/63/79/395796379.db2.gz WLSMWNXSNBIQCS-HNNXBMFYSA-N 2 1 291.443 2.072 20 0 CEADMP Cc1nc([C@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n[nH]1 ZINC000647988521 395796382 /nfs/dbraw/zinc/79/63/82/395796382.db2.gz WLSMWNXSNBIQCS-HNNXBMFYSA-N 2 1 291.443 2.072 20 0 CEADMP C[C@@H](c1ccsc1)[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647990021 395796671 /nfs/dbraw/zinc/79/66/71/395796671.db2.gz ROQLAICPRCQWSU-KBPBESRZSA-N 2 1 279.453 2.036 20 0 CEADMP [NH3+]C[C@@H]([NH2+]CCCC1CC[NH2+]CC1)C1CCCCC1 ZINC000647988169 395796895 /nfs/dbraw/zinc/79/68/95/395796895.db2.gz YTGFNPSQFCQGQV-MRXNPFEDSA-N 3 1 267.461 2.263 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2CCCC[C@@H]2C2CCC2)n1 ZINC000647997527 395799268 /nfs/dbraw/zinc/79/92/68/395799268.db2.gz LOHSFPMKFXROGN-GFCCVEGCSA-N 2 1 278.400 2.418 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)CCO1 ZINC000648438448 395908736 /nfs/dbraw/zinc/90/87/36/395908736.db2.gz JMFURLDKDNHONM-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000649418036 396149525 /nfs/dbraw/zinc/14/95/25/396149525.db2.gz VXRRPLNPJULRKH-SJORKVTESA-N 2 1 290.455 2.212 20 0 CEADMP CC/C=C/CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105637 396293934 /nfs/dbraw/zinc/29/39/34/396293934.db2.gz APPQNAUOMZODKG-SNAWJCMRSA-N 2 1 252.402 2.139 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCc3ccccc31)CCO2 ZINC000646106155 396294850 /nfs/dbraw/zinc/29/48/50/396294850.db2.gz QEOXRUUWXXQYRG-KRWDZBQOSA-N 2 1 286.419 2.471 20 0 CEADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249227 396449734 /nfs/dbraw/zinc/44/97/34/396449734.db2.gz KVJJLZQUMMLOPE-MSOLQXFVSA-N 2 1 298.434 2.164 20 0 CEADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249227 396449735 /nfs/dbraw/zinc/44/97/35/396449735.db2.gz KVJJLZQUMMLOPE-MSOLQXFVSA-N 2 1 298.434 2.164 20 0 CEADMP C[C@H]1OCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249136 396449770 /nfs/dbraw/zinc/44/97/70/396449770.db2.gz DPJLNEDXVZUPFQ-MXASKKJJSA-N 2 1 274.408 2.099 20 0 CEADMP Cc1cccc2nc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cn21 ZINC000647263163 396453650 /nfs/dbraw/zinc/45/36/50/396453650.db2.gz RFMSMGJCKLRWFX-NVXWUHKLSA-N 2 1 298.434 2.402 20 0 CEADMP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916125 400121666 /nfs/dbraw/zinc/12/16/66/400121666.db2.gz OHVFAAQIRIRTBF-ZBFHGGJFSA-N 2 1 276.428 2.001 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916125 400121672 /nfs/dbraw/zinc/12/16/72/400121672.db2.gz OHVFAAQIRIRTBF-ZBFHGGJFSA-N 2 1 276.428 2.001 20 0 CEADMP C[C@H]([N@H+](C)Cc1nc(C(C)(C)[NH3+])no1)C(C)(C)C ZINC000043402313 400139151 /nfs/dbraw/zinc/13/91/51/400139151.db2.gz CFUOSIWLCLNCDQ-VIFPVBQESA-N 2 1 254.378 2.130 20 0 CEADMP C[C@H]([N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1)C(C)(C)C ZINC000043402313 400139155 /nfs/dbraw/zinc/13/91/55/400139155.db2.gz CFUOSIWLCLNCDQ-VIFPVBQESA-N 2 1 254.378 2.130 20 0 CEADMP c1nc([C@H]2CCC[N@H+]([C@@H]3CCOC3)C2)n2c1CCCC2 ZINC000334240648 400346568 /nfs/dbraw/zinc/34/65/68/400346568.db2.gz MIALLJQQSDQRBL-DZGCQCFKSA-N 2 1 275.396 2.188 20 0 CEADMP C[N@H+](CC[NH2+]CCC1CCOCC1)C1CCCC1 ZINC000386261530 400525803 /nfs/dbraw/zinc/52/58/03/400525803.db2.gz VEVWYDVTSWPMQW-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP C[N@@H+](CC[NH2+]CCC1CCOCC1)C1CCCC1 ZINC000386261530 400525804 /nfs/dbraw/zinc/52/58/04/400525804.db2.gz VEVWYDVTSWPMQW-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705516 400997962 /nfs/dbraw/zinc/99/79/62/400997962.db2.gz KBOMUZGFAPDSFB-SQWLQELKSA-N 2 1 293.411 2.010 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cn1 ZINC000650711698 401001874 /nfs/dbraw/zinc/00/18/74/401001874.db2.gz AJHHKHKDHSNSQS-GOEBONIOSA-N 2 1 290.455 2.487 20 0 CEADMP CCO[C@@H]1C[N@H+](Cc2ccc(Cl)c(C)c2)C[C@H]1C[NH3+] ZINC000650714499 401004580 /nfs/dbraw/zinc/00/45/80/401004580.db2.gz JGLCISQSKNXLBU-UKRRQHHQSA-N 2 1 282.815 2.444 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccc(Cl)c(C)c2)C[C@H]1C[NH3+] ZINC000650714499 401004587 /nfs/dbraw/zinc/00/45/87/401004587.db2.gz JGLCISQSKNXLBU-UKRRQHHQSA-N 2 1 282.815 2.444 20 0 CEADMP Cc1ncccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723550 401011505 /nfs/dbraw/zinc/01/15/05/401011505.db2.gz QDVNKAPBGFBECE-BRWVUGGUSA-N 2 1 289.423 2.251 20 0 CEADMP C[NH+]1CCC([NH2+]CC[C@H]2CCc3ccccc3N2)CC1 ZINC000650721120 401011890 /nfs/dbraw/zinc/01/18/90/401011890.db2.gz QWVCAUOBPHBMDO-MRXNPFEDSA-N 2 1 273.424 2.487 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC2(OC)CCCCC2)CC1 ZINC000359962463 155182302 /nfs/dbraw/zinc/18/23/02/155182302.db2.gz DDUBNPHCBRLMIL-UHFFFAOYSA-N 2 1 284.444 2.036 20 0 CEADMP CCOC1CC(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000377155370 286012141 /nfs/dbraw/zinc/01/21/41/286012141.db2.gz QNRFOLRDJSUFGO-QQFBHYJXSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037318653 286037903 /nfs/dbraw/zinc/03/79/03/286037903.db2.gz FNGWQXKKRMIZOM-CABCVRRESA-N 2 1 252.402 2.160 20 0 CEADMP c1c2cnccc2oc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000651675933 401370450 /nfs/dbraw/zinc/37/04/50/401370450.db2.gz IWDHFXCEIOYLQS-LBPRGKRZSA-N 2 1 271.364 2.402 20 0 CEADMP c1c2cnccc2oc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000651675933 401370452 /nfs/dbraw/zinc/37/04/52/401370452.db2.gz IWDHFXCEIOYLQS-LBPRGKRZSA-N 2 1 271.364 2.402 20 0 CEADMP COC[C@H](CC(C)(C)C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000651748205 401383380 /nfs/dbraw/zinc/38/33/80/401383380.db2.gz BVSHNEMQNHVSQX-AWEZNQCLSA-N 2 1 254.418 2.289 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000652221963 401466817 /nfs/dbraw/zinc/46/68/17/401466817.db2.gz AXESYNNTLHTUOU-HNNXBMFYSA-N 2 1 278.444 2.365 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000652221963 401466820 /nfs/dbraw/zinc/46/68/20/401466820.db2.gz AXESYNNTLHTUOU-HNNXBMFYSA-N 2 1 278.444 2.365 20 0 CEADMP CCc1noc(C)c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352099 401492457 /nfs/dbraw/zinc/49/24/57/401492457.db2.gz FLDCYFXJFYHUOY-WFASDCNBSA-N 2 1 263.385 2.106 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)[C@@H]1CC[NH3+] ZINC000652355900 401493249 /nfs/dbraw/zinc/49/32/49/401493249.db2.gz LVONPLUJVWYRQQ-QLFBSQMISA-N 2 1 254.418 2.395 20 0 CEADMP CCC(CC)[N@H+](CC(C)C)C[C@@H](O)C[NH+](C)CC ZINC000311153361 289279044 /nfs/dbraw/zinc/27/90/44/289279044.db2.gz NTEVFSTUIMCPRS-HNNXBMFYSA-N 2 1 258.450 2.446 20 0 CEADMP CCC(CC)[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)CC ZINC000311153361 289279049 /nfs/dbraw/zinc/27/90/49/289279049.db2.gz NTEVFSTUIMCPRS-HNNXBMFYSA-N 2 1 258.450 2.446 20 0 CEADMP CCC(CC)[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)CC ZINC000311153361 289279053 /nfs/dbraw/zinc/27/90/53/289279053.db2.gz NTEVFSTUIMCPRS-HNNXBMFYSA-N 2 1 258.450 2.446 20 0 CEADMP CCC(CC)[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)CC ZINC000311153361 289279056 /nfs/dbraw/zinc/27/90/56/289279056.db2.gz NTEVFSTUIMCPRS-HNNXBMFYSA-N 2 1 258.450 2.446 20 0 CEADMP CSc1ccc(OCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360546076 155324231 /nfs/dbraw/zinc/32/42/31/155324231.db2.gz MSGBWBPWXPGQDZ-INIZCTEOSA-N 2 1 292.448 2.473 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360546076 155324234 /nfs/dbraw/zinc/32/42/34/155324234.db2.gz MSGBWBPWXPGQDZ-INIZCTEOSA-N 2 1 292.448 2.473 20 0 CEADMP O[C@@H](CC1CCCC1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000191343453 153166972 /nfs/dbraw/zinc/16/69/72/153166972.db2.gz QHJOLUFABOKBNQ-KRWDZBQOSA-N 2 1 280.456 2.488 20 0 CEADMP CC(C)CSCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193596951 153235757 /nfs/dbraw/zinc/23/57/57/153235757.db2.gz APJZFIHZRAFJAR-OKILXGFUSA-N 2 1 256.459 2.259 20 0 CEADMP CC(C)CSCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193596951 153235762 /nfs/dbraw/zinc/23/57/62/153235762.db2.gz APJZFIHZRAFJAR-OKILXGFUSA-N 2 1 256.459 2.259 20 0 CEADMP CC(C)CSCCC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193596951 153235767 /nfs/dbraw/zinc/23/57/67/153235767.db2.gz APJZFIHZRAFJAR-OKILXGFUSA-N 2 1 256.459 2.259 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000221878481 153311132 /nfs/dbraw/zinc/31/11/32/153311132.db2.gz MBASNFKEGLIVIZ-YGRLFVJLSA-N 2 1 254.324 2.395 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000221878481 153311134 /nfs/dbraw/zinc/31/11/34/153311134.db2.gz MBASNFKEGLIVIZ-YGRLFVJLSA-N 2 1 254.324 2.395 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cncc(F)c1 ZINC000222048671 153312430 /nfs/dbraw/zinc/31/24/30/153312430.db2.gz MHAPCRQOOHUEEJ-TUKIKUTGSA-N 2 1 263.360 2.498 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cncc(F)c1 ZINC000222048671 153312434 /nfs/dbraw/zinc/31/24/34/153312434.db2.gz MHAPCRQOOHUEEJ-TUKIKUTGSA-N 2 1 263.360 2.498 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000223197162 153316890 /nfs/dbraw/zinc/31/68/90/153316890.db2.gz XEDKAAQCYAQTPP-WOSRLPQWSA-N 2 1 262.397 2.253 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000223197162 153316894 /nfs/dbraw/zinc/31/68/94/153316894.db2.gz XEDKAAQCYAQTPP-WOSRLPQWSA-N 2 1 262.397 2.253 20 0 CEADMP CCC[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000224360445 153323281 /nfs/dbraw/zinc/32/32/81/153323281.db2.gz IHTVKXFRMZBOKD-GBJTYRQASA-N 2 1 256.434 2.103 20 0 CEADMP CCCC[NH+]1CCC(N[C@@H]2C[N@@H+](CC)C[C@H]2C)CC1 ZINC000360862529 155387273 /nfs/dbraw/zinc/38/72/73/155387273.db2.gz WBXZYDRJCJQOLZ-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000262967529 154002173 /nfs/dbraw/zinc/00/21/73/154002173.db2.gz LKQVZVCQBIMMKH-YQQAZPJKSA-N 2 1 295.471 2.084 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263243814 154041678 /nfs/dbraw/zinc/04/16/78/154041678.db2.gz PADZLRKZFXGCIS-BFYDXBDKSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000268037008 154142536 /nfs/dbraw/zinc/14/25/36/154142536.db2.gz MQPJKHCFFMPWIO-OAGGEKHMSA-N 2 1 273.424 2.338 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3)C2)CC[N@H+]1C ZINC000268037008 154142540 /nfs/dbraw/zinc/14/25/40/154142540.db2.gz MQPJKHCFFMPWIO-OAGGEKHMSA-N 2 1 273.424 2.338 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC(F)F)C[C@@H]1C ZINC000346448495 154289532 /nfs/dbraw/zinc/28/95/32/154289532.db2.gz SWLCOHPMQUEZAL-NWDGAFQWSA-N 2 1 264.360 2.073 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC(F)F)C[C@@H]1C ZINC000346448495 154289538 /nfs/dbraw/zinc/28/95/38/154289538.db2.gz SWLCOHPMQUEZAL-NWDGAFQWSA-N 2 1 264.360 2.073 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC(F)F)C[C@@H]1C ZINC000346448495 154289529 /nfs/dbraw/zinc/28/95/29/154289529.db2.gz SWLCOHPMQUEZAL-NWDGAFQWSA-N 2 1 264.360 2.073 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000346695165 154291824 /nfs/dbraw/zinc/29/18/24/154291824.db2.gz YQBZMEKPWSXVLJ-CYBMUJFWSA-N 2 1 256.434 2.356 20 0 CEADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367613530 292307813 /nfs/dbraw/zinc/30/78/13/292307813.db2.gz FVGWGFVTZCYLAG-ZNMIVQPWSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[C@H](C[NH2+]CC1(C)COC1)[NH+]1CCC(C)CC1 ZINC000352780135 154339295 /nfs/dbraw/zinc/33/92/95/154339295.db2.gz NRWZEQXWQWCDBZ-HNNXBMFYSA-N 2 1 268.445 2.369 20 0 CEADMP CC(C)(C)c1noc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000357072387 154374284 /nfs/dbraw/zinc/37/42/84/154374284.db2.gz KSTMKFAHCGJVJJ-CYBMUJFWSA-N 2 1 292.427 2.189 20 0 CEADMP C[C@@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000357860171 154392623 /nfs/dbraw/zinc/39/26/23/154392623.db2.gz WMRBCWZFBMMZKF-CABCVRRESA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CN1C1CC1 ZINC000357860171 154392627 /nfs/dbraw/zinc/39/26/27/154392627.db2.gz WMRBCWZFBMMZKF-CABCVRRESA-N 2 1 279.472 2.323 20 0 CEADMP COCCCCC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000337067575 292317098 /nfs/dbraw/zinc/31/70/98/292317098.db2.gz KTRHPAXNRXXYAN-SJORKVTESA-N 2 1 276.424 2.477 20 0 CEADMP c1ccc(OCC2CC2)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000359461154 155022121 /nfs/dbraw/zinc/02/21/21/155022121.db2.gz SXBYNTWDGCBRJZ-HZPDHXFCSA-N 2 1 272.392 2.127 20 0 CEADMP CC[C@@H](C)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000359519968 155039540 /nfs/dbraw/zinc/03/95/40/155039540.db2.gz CBPNKEMDSLNYCA-HZPDHXFCSA-N 2 1 297.487 2.297 20 0 CEADMP CC1CC[NH+](CCCN[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000359642384 155091111 /nfs/dbraw/zinc/09/11/11/155091111.db2.gz ZBPJZLPCHKLACW-CVEARBPZSA-N 2 1 267.461 2.038 20 0 CEADMP Cn1cc(C[C@@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)cn1 ZINC000363880520 156046637 /nfs/dbraw/zinc/04/66/37/156046637.db2.gz VOQJVZFJXXLKEV-DOTOQJQBSA-N 2 1 290.455 2.159 20 0 CEADMP Cn1cc(C[C@@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000363880520 156046639 /nfs/dbraw/zinc/04/66/39/156046639.db2.gz VOQJVZFJXXLKEV-DOTOQJQBSA-N 2 1 290.455 2.159 20 0 CEADMP Cn1cc(C[C@@H]2CC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)cn1 ZINC000363880520 156046642 /nfs/dbraw/zinc/04/66/42/156046642.db2.gz VOQJVZFJXXLKEV-DOTOQJQBSA-N 2 1 290.455 2.159 20 0 CEADMP CCOC1CC(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000367159121 156141951 /nfs/dbraw/zinc/14/19/51/156141951.db2.gz VKUAKJLNLDDWAG-BHDPWAOGSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000367159121 156141957 /nfs/dbraw/zinc/14/19/57/156141957.db2.gz VKUAKJLNLDDWAG-BHDPWAOGSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000367159121 156141960 /nfs/dbraw/zinc/14/19/60/156141960.db2.gz VKUAKJLNLDDWAG-BHDPWAOGSA-N 2 1 266.429 2.218 20 0 CEADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCN(CC(F)F)CC1 ZINC000367380376 156179334 /nfs/dbraw/zinc/17/93/34/156179334.db2.gz SFBWYRNRPMQZOL-AWEZNQCLSA-N 2 1 289.414 2.134 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCN(CC(F)F)CC1 ZINC000367380376 156179339 /nfs/dbraw/zinc/17/93/39/156179339.db2.gz SFBWYRNRPMQZOL-AWEZNQCLSA-N 2 1 289.414 2.134 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCN(CC(F)F)CC1 ZINC000367380376 156179343 /nfs/dbraw/zinc/17/93/43/156179343.db2.gz SFBWYRNRPMQZOL-AWEZNQCLSA-N 2 1 289.414 2.134 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCN(CC(F)F)CC1 ZINC000367380376 156179345 /nfs/dbraw/zinc/17/93/45/156179345.db2.gz SFBWYRNRPMQZOL-AWEZNQCLSA-N 2 1 289.414 2.134 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cnc2n1CCCC2 ZINC000367437385 156186550 /nfs/dbraw/zinc/18/65/50/156186550.db2.gz IVRBIXDDZINZJR-NFAWXSAZSA-N 2 1 276.428 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cnc2n1CCCC2 ZINC000367437385 156186557 /nfs/dbraw/zinc/18/65/57/156186557.db2.gz IVRBIXDDZINZJR-NFAWXSAZSA-N 2 1 276.428 2.038 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOC2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000367598282 156215532 /nfs/dbraw/zinc/21/55/32/156215532.db2.gz QHYHOEXBBAXDLG-ULQDDVLXSA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@@H](C)[N@H+](C)CCNc1cccc(-n2cc[nH+]c2C)n1 ZINC000368108639 156287447 /nfs/dbraw/zinc/28/74/47/156287447.db2.gz KTMCKDPEADXYQT-CYBMUJFWSA-N 2 1 287.411 2.140 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNc1cccc(-n2cc[nH+]c2C)n1 ZINC000368108639 156287451 /nfs/dbraw/zinc/28/74/51/156287451.db2.gz KTMCKDPEADXYQT-CYBMUJFWSA-N 2 1 287.411 2.140 20 0 CEADMP Cc1ccc([C@@H](O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000368313386 156320199 /nfs/dbraw/zinc/32/01/99/156320199.db2.gz CEOXXFUHTUNXBQ-IRXDYDNUSA-N 2 1 274.408 2.056 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000368313386 156320201 /nfs/dbraw/zinc/32/02/01/156320201.db2.gz CEOXXFUHTUNXBQ-IRXDYDNUSA-N 2 1 274.408 2.056 20 0 CEADMP Cc1ccc([C@@H](O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000368313386 156320203 /nfs/dbraw/zinc/32/02/03/156320203.db2.gz CEOXXFUHTUNXBQ-IRXDYDNUSA-N 2 1 274.408 2.056 20 0 CEADMP c1cc(C[C@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)ccn1 ZINC000368485516 156354759 /nfs/dbraw/zinc/35/47/59/156354759.db2.gz IUAVWYKLUJXEKI-QGZVFWFLSA-N 2 1 273.424 2.432 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000368574546 156370181 /nfs/dbraw/zinc/37/01/81/156370181.db2.gz KKAHZTUXQPPSPT-XLAORIBOSA-N 2 1 288.435 2.052 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000357796622 533676705 /nfs/dbraw/zinc/67/67/05/533676705.db2.gz PQUQDRRLPUKBDJ-PBHICJAKSA-N 2 1 295.471 2.145 20 0 CEADMP CCn1nccc1CC[N@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000374819998 157020950 /nfs/dbraw/zinc/02/09/50/157020950.db2.gz ATJSIEMDKURZBH-UHFFFAOYSA-N 2 1 290.455 2.394 20 0 CEADMP CCn1nccc1CC[N@@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000374819998 157020953 /nfs/dbraw/zinc/02/09/53/157020953.db2.gz ATJSIEMDKURZBH-UHFFFAOYSA-N 2 1 290.455 2.394 20 0 CEADMP C[N@H+]1CC[C@H]2CCN(Cc3ccc(-n4ccnc4)cc3)C[C@@H]21 ZINC000375027711 157043861 /nfs/dbraw/zinc/04/38/61/157043861.db2.gz ANPJTDJOFNGQEU-WMZOPIPTSA-N 2 1 296.418 2.398 20 0 CEADMP CN1CC[C@H]2CC[N@H+](Cc3ccc(-n4ccnc4)cc3)C[C@@H]21 ZINC000375027711 157043862 /nfs/dbraw/zinc/04/38/62/157043862.db2.gz ANPJTDJOFNGQEU-WMZOPIPTSA-N 2 1 296.418 2.398 20 0 CEADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)C1 ZINC000376413209 157218602 /nfs/dbraw/zinc/21/86/02/157218602.db2.gz UORXGVPAUYMLOG-FIDHJVLJSA-N 2 1 296.455 2.033 20 0 CEADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)C1 ZINC000376413209 157218604 /nfs/dbraw/zinc/21/86/04/157218604.db2.gz UORXGVPAUYMLOG-FIDHJVLJSA-N 2 1 296.455 2.033 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCOC[C@H]1C ZINC000248818486 289583311 /nfs/dbraw/zinc/58/33/11/289583311.db2.gz BAFSLKNVUIUYGI-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000131805537 162298533 /nfs/dbraw/zinc/29/85/33/162298533.db2.gz KBEASAFBLLJDER-GJZGRUSLSA-N 2 1 262.397 2.351 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)COC)CC1 ZINC000173549952 165074289 /nfs/dbraw/zinc/07/42/89/165074289.db2.gz PMUNXHRSAVGCQM-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP CC(C)CC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174903187 165119276 /nfs/dbraw/zinc/11/92/76/165119276.db2.gz MVJYJILRVVMKAI-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP CC(C)CC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174903187 165119279 /nfs/dbraw/zinc/11/92/79/165119279.db2.gz MVJYJILRVVMKAI-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP CSCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179167716 165270974 /nfs/dbraw/zinc/27/09/74/165270974.db2.gz CNDAMIBQQKHLKZ-OCCSQVGLSA-N 2 1 254.443 2.298 20 0 CEADMP CSCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179167716 165270975 /nfs/dbraw/zinc/27/09/75/165270975.db2.gz CNDAMIBQQKHLKZ-OCCSQVGLSA-N 2 1 254.443 2.298 20 0 CEADMP CSCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179167716 165270977 /nfs/dbraw/zinc/27/09/77/165270977.db2.gz CNDAMIBQQKHLKZ-OCCSQVGLSA-N 2 1 254.443 2.298 20 0 CEADMP Cc1nccn1C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCC1 ZINC000179271646 165276155 /nfs/dbraw/zinc/27/61/55/165276155.db2.gz KTJHGATUQKGGIO-INIZCTEOSA-N 2 1 276.428 2.142 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1C ZINC000179631278 165289275 /nfs/dbraw/zinc/28/92/75/165289275.db2.gz NFANTMHIMJVVLR-OAHLLOKOSA-N 2 1 278.444 2.293 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1C ZINC000179631278 165289280 /nfs/dbraw/zinc/28/92/80/165289280.db2.gz NFANTMHIMJVVLR-OAHLLOKOSA-N 2 1 278.444 2.293 20 0 CEADMP CC(C)n1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000179905023 165292904 /nfs/dbraw/zinc/29/29/04/165292904.db2.gz AENXXVHCZJOAIS-DZGCQCFKSA-N 2 1 264.417 2.379 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CCO)C(C)(C)C ZINC000181486696 165345461 /nfs/dbraw/zinc/34/54/61/165345461.db2.gz CNDCAAGQAWIINC-AWEZNQCLSA-N 2 1 267.417 2.358 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000181519171 165350795 /nfs/dbraw/zinc/35/07/95/165350795.db2.gz ZVVJVNDFIYAGOT-ULQDDVLXSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](CN[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000181519171 165350798 /nfs/dbraw/zinc/35/07/98/165350798.db2.gz ZVVJVNDFIYAGOT-ULQDDVLXSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000181519171 165350803 /nfs/dbraw/zinc/35/08/03/165350803.db2.gz ZVVJVNDFIYAGOT-ULQDDVLXSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000181519171 165350807 /nfs/dbraw/zinc/35/08/07/165350807.db2.gz ZVVJVNDFIYAGOT-ULQDDVLXSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000181519171 165350811 /nfs/dbraw/zinc/35/08/11/165350811.db2.gz ZVVJVNDFIYAGOT-ULQDDVLXSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000181519171 165350817 /nfs/dbraw/zinc/35/08/17/165350817.db2.gz ZVVJVNDFIYAGOT-ULQDDVLXSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000181519171 165350821 /nfs/dbraw/zinc/35/08/21/165350821.db2.gz ZVVJVNDFIYAGOT-ULQDDVLXSA-N 3 1 281.488 2.427 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cncnc1C ZINC000563419653 298775929 /nfs/dbraw/zinc/77/59/29/298775929.db2.gz ZFYWMZRDNWBDJJ-LBPRGKRZSA-N 2 1 273.384 2.421 20 0 CEADMP O[C@H](C[NH2+]C/C=C/c1ccc(F)c(F)c1)C[NH+]1CCCC1 ZINC000285334519 196253235 /nfs/dbraw/zinc/25/32/35/196253235.db2.gz CDUNYYPKCAXIAV-RDFMZFSFSA-N 2 1 296.361 2.024 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353463617 287271468 /nfs/dbraw/zinc/27/14/68/287271468.db2.gz MZNLDAPIIIWTNO-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353463617 287271469 /nfs/dbraw/zinc/27/14/69/287271469.db2.gz MZNLDAPIIIWTNO-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353463617 287271470 /nfs/dbraw/zinc/27/14/70/287271470.db2.gz MZNLDAPIIIWTNO-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353463617 287271471 /nfs/dbraw/zinc/27/14/71/287271471.db2.gz MZNLDAPIIIWTNO-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353463617 287271472 /nfs/dbraw/zinc/27/14/72/287271472.db2.gz MZNLDAPIIIWTNO-TWMKSMIVSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[N@@H+](CCC(=O)Nc1ccccc1)C1CC[NH2+]CC1 ZINC000037539052 173258158 /nfs/dbraw/zinc/25/81/58/173258158.db2.gz YXBYVBHXLSRFEJ-UHFFFAOYSA-N 2 1 289.423 2.479 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000040600836 174350946 /nfs/dbraw/zinc/35/09/46/174350946.db2.gz ZQIUSSHRHARSOT-INIZCTEOSA-N 2 1 284.407 2.304 20 0 CEADMP COc1ccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000040747033 174392520 /nfs/dbraw/zinc/39/25/20/174392520.db2.gz LRXGDXKRNSGJLM-YIONKMFJSA-N 2 1 290.407 2.289 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2sc(C)nc2C)CC[C@@H]1[NH3+] ZINC000122304693 414788906 /nfs/dbraw/zinc/78/89/06/414788906.db2.gz QTPBJQHLGVKYML-RYUDHWBXSA-N 2 1 253.415 2.319 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000660310637 414766446 /nfs/dbraw/zinc/76/64/46/414766446.db2.gz BWZHIPLJNRJNJF-ILXRZTDVSA-N 2 1 270.461 2.492 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@H](C)[NH+](C)C)C1CCCCC1 ZINC000652756569 414781818 /nfs/dbraw/zinc/78/18/18/414781818.db2.gz LHDJDJVFSNIPAY-AWEZNQCLSA-N 2 1 283.460 2.097 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404403976 414784002 /nfs/dbraw/zinc/78/40/02/414784002.db2.gz TUQLCBLAYCKZCE-HOCLYGCPSA-N 2 1 289.423 2.383 20 0 CEADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404403976 414784004 /nfs/dbraw/zinc/78/40/04/414784004.db2.gz TUQLCBLAYCKZCE-HOCLYGCPSA-N 2 1 289.423 2.383 20 0 CEADMP CC[C@@H]1C[N@H+](CC(=O)N(CC)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000122706537 414792603 /nfs/dbraw/zinc/79/26/03/414792603.db2.gz BOOBJVXEOVGQHT-ZBFHGGJFSA-N 2 1 295.471 2.227 20 0 CEADMP CC[C@@H]1C[N@@H+](CC(=O)N(CC)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000122706537 414792605 /nfs/dbraw/zinc/79/26/05/414792605.db2.gz BOOBJVXEOVGQHT-ZBFHGGJFSA-N 2 1 295.471 2.227 20 0 CEADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000405297198 414794257 /nfs/dbraw/zinc/79/42/57/414794257.db2.gz LLLXBZFLDPPTAH-LXTVHRRPSA-N 2 1 254.418 2.108 20 0 CEADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000124511127 414796115 /nfs/dbraw/zinc/79/61/15/414796115.db2.gz WUPAUJUJFWTOGL-LSDHHAIUSA-N 2 1 262.397 2.494 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000657179369 414797317 /nfs/dbraw/zinc/79/73/17/414797317.db2.gz XJKNLEGUXXNHTF-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)C1CCC1 ZINC000660416848 414810157 /nfs/dbraw/zinc/81/01/57/414810157.db2.gz XTBJBBWOMZZIFO-GJZGRUSLSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH+]2CCC([NH2+]CC3CC3)CC2)O1 ZINC000129404118 414810853 /nfs/dbraw/zinc/81/08/53/414810853.db2.gz PRLMCICDVCAULA-DOMZBBRYSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2cnc3n2CCC3)C1 ZINC000657314232 414853791 /nfs/dbraw/zinc/85/37/91/414853791.db2.gz YMZWLLZUHYUPGO-GASCZTMLSA-N 2 1 290.455 2.287 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657314232 414853794 /nfs/dbraw/zinc/85/37/94/414853794.db2.gz YMZWLLZUHYUPGO-GASCZTMLSA-N 2 1 290.455 2.287 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657314232 414853802 /nfs/dbraw/zinc/85/38/02/414853802.db2.gz YMZWLLZUHYUPGO-GASCZTMLSA-N 2 1 290.455 2.287 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)C1CCCCC1 ZINC000310920983 414857155 /nfs/dbraw/zinc/85/71/55/414857155.db2.gz CLVDYPCDIPNWOY-HIFRSBDPSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNCc2cnc3n2CCC3)C1 ZINC000657326586 414860538 /nfs/dbraw/zinc/86/05/38/414860538.db2.gz VKDPAGCQVHZEIK-AWEZNQCLSA-N 2 1 290.455 2.429 20 0 CEADMP C[C@H]1CCCN(C(C)(C)C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657326586 414860542 /nfs/dbraw/zinc/86/05/42/414860542.db2.gz VKDPAGCQVHZEIK-AWEZNQCLSA-N 2 1 290.455 2.429 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](C3CC3)C[C@H](C)C2)C1 ZINC000660644669 414913218 /nfs/dbraw/zinc/91/32/18/414913218.db2.gz JFPSTTUNVAFXDO-IXDOHACOSA-N 2 1 293.499 2.380 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[N@@H+](C3CC3)C[C@H](C)C2)C1 ZINC000660644669 414913221 /nfs/dbraw/zinc/91/32/21/414913221.db2.gz JFPSTTUNVAFXDO-IXDOHACOSA-N 2 1 293.499 2.380 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[N@H+](C3CC3)C[C@H](C)C2)C1 ZINC000660644669 414913226 /nfs/dbraw/zinc/91/32/26/414913226.db2.gz JFPSTTUNVAFXDO-IXDOHACOSA-N 2 1 293.499 2.380 20 0 CEADMP c1nn2c(c1C[NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CCC2 ZINC000663344510 414922117 /nfs/dbraw/zinc/92/21/17/414922117.db2.gz URWYENAJJWSQGU-OAHLLOKOSA-N 2 1 288.439 2.041 20 0 CEADMP c1nn2c(c1C[NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000663344510 414922118 /nfs/dbraw/zinc/92/21/18/414922118.db2.gz URWYENAJJWSQGU-OAHLLOKOSA-N 2 1 288.439 2.041 20 0 CEADMP CCn1nccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347087 414923972 /nfs/dbraw/zinc/92/39/72/414923972.db2.gz ZFIPONCKQXTCRN-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP CCn1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347087 414923977 /nfs/dbraw/zinc/92/39/77/414923977.db2.gz ZFIPONCKQXTCRN-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP c1c2ccncc2sc1C[NH2+]CCC[NH+]1CCC1 ZINC000657423929 414926248 /nfs/dbraw/zinc/92/62/48/414926248.db2.gz OPRWXQSMVTWINA-UHFFFAOYSA-N 2 1 261.394 2.482 20 0 CEADMP Cc1ccnc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660665531 414927445 /nfs/dbraw/zinc/92/74/45/414927445.db2.gz WNMFHGMDECAKCR-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP C[C@H](CC[NH2+]Cc1cnc2n1CCC2)[NH+]1CCCCC1 ZINC000657432782 414933933 /nfs/dbraw/zinc/93/39/33/414933933.db2.gz JZQYICIMMCAZIV-CQSZACIVSA-N 2 1 276.428 2.183 20 0 CEADMP Cc1cc(CO)cc(NC2CC[NH+](CC3CC3)CC2)[nH+]1 ZINC000663398220 414941076 /nfs/dbraw/zinc/94/10/76/414941076.db2.gz LTIOZTSLYYQMEI-UHFFFAOYSA-N 2 1 275.396 2.169 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000314526358 414870433 /nfs/dbraw/zinc/87/04/33/414870433.db2.gz LZWCJTUHXIVFJK-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CCCn1nccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000657347061 414873414 /nfs/dbraw/zinc/87/34/14/414873414.db2.gz MYZFTQNOVWDSNU-ZDUSSCGKSA-N 2 1 275.400 2.224 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CCOCC1 ZINC000337991000 414874757 /nfs/dbraw/zinc/87/47/57/414874757.db2.gz VDVHKYNCGCNCEO-HUUCEWRRSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccnn1CC1CC1 ZINC000657346504 414874795 /nfs/dbraw/zinc/87/47/95/414874795.db2.gz DVPGCYXGFCSGGN-ZDUSSCGKSA-N 2 1 287.411 2.224 20 0 CEADMP CC[C@H](C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)[NH+](CC)CC ZINC000654309516 414899487 /nfs/dbraw/zinc/89/94/87/414899487.db2.gz AWMSVAOIJIYLSO-ARFHVFGLSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@@H](C)[C@@H](C)[NH3+])C1CCCCC1 ZINC000653200584 414944913 /nfs/dbraw/zinc/94/49/13/414944913.db2.gz JMIYHPMRUFJXEG-UONOGXRCSA-N 2 1 283.460 2.131 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000660755357 414959210 /nfs/dbraw/zinc/95/92/10/414959210.db2.gz KBUCWJQAUCTBDE-DRRXZNNHSA-N 2 1 280.456 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000660755357 414959215 /nfs/dbraw/zinc/95/92/15/414959215.db2.gz KBUCWJQAUCTBDE-DRRXZNNHSA-N 2 1 280.456 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000660755357 414959217 /nfs/dbraw/zinc/95/92/17/414959217.db2.gz KBUCWJQAUCTBDE-DRRXZNNHSA-N 2 1 280.456 2.056 20 0 CEADMP CC1CCC(O)(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000663463546 414961129 /nfs/dbraw/zinc/96/11/29/414961129.db2.gz DWABHOCKEUPVQB-IZTSSTLKSA-N 2 1 280.456 2.390 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)CC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660760257 414962917 /nfs/dbraw/zinc/96/29/17/414962917.db2.gz NRYZKUMXHUEVGT-BBWFWOEESA-N 2 1 281.488 2.379 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660760257 414962918 /nfs/dbraw/zinc/96/29/18/414962918.db2.gz NRYZKUMXHUEVGT-BBWFWOEESA-N 2 1 281.488 2.379 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660760257 414962923 /nfs/dbraw/zinc/96/29/23/414962923.db2.gz NRYZKUMXHUEVGT-BBWFWOEESA-N 2 1 281.488 2.379 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCOC1 ZINC000663470620 414964660 /nfs/dbraw/zinc/96/46/60/414964660.db2.gz VMTWUGREVYHWMG-IMJJTQAJSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H]1C[N@@H+](CCCNc2[nH+]ccc3[nH]ccc32)CCCO1 ZINC000663848481 415069755 /nfs/dbraw/zinc/06/97/55/415069755.db2.gz HLTCNMRLFSAGSW-CYBMUJFWSA-N 2 1 288.395 2.476 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CCC(C)C ZINC000653571048 415041004 /nfs/dbraw/zinc/04/10/04/415041004.db2.gz RQVIPFXRDDBLEJ-GJZGRUSLSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1CC(C)(C)[C@@H]1c1ccccc1 ZINC000653583616 415041492 /nfs/dbraw/zinc/04/14/92/415041492.db2.gz MBQOIASMTUVOHA-CVEARBPZSA-N 2 1 276.424 2.382 20 0 CEADMP C[C@H](CNc1[nH+]ccc2[nH]ccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000664074010 415153525 /nfs/dbraw/zinc/15/35/25/415153525.db2.gz IMYYBKASOYFRPC-UPJWGTAASA-N 2 1 288.395 2.473 20 0 CEADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000655245820 415156411 /nfs/dbraw/zinc/15/64/11/415156411.db2.gz XLOHZZRCYOZPRV-FZNQNYSPSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000653776345 415100358 /nfs/dbraw/zinc/10/03/58/415100358.db2.gz AMDRQPPYLSAETE-GRYCIOLGSA-N 2 1 282.350 2.010 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2(OC)CCC2)C1 ZINC000657845301 415102066 /nfs/dbraw/zinc/10/20/66/415102066.db2.gz MWTWGTBZVPSCQA-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000657875264 415110450 /nfs/dbraw/zinc/11/04/50/415110450.db2.gz IMSRQKVDYFALRZ-GJZGRUSLSA-N 2 1 284.831 2.173 20 0 CEADMP CCc1cc(N2CCC([N@H+]3CCCOCC3)CC2)cc[nH+]1 ZINC000664008772 415122549 /nfs/dbraw/zinc/12/25/49/415122549.db2.gz KPOWULPGPZVEIJ-UHFFFAOYSA-N 2 1 289.423 2.335 20 0 CEADMP CCOC1CCC([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000657992420 415145894 /nfs/dbraw/zinc/14/58/94/415145894.db2.gz JSLUOVAOEJCTEZ-KLAILNCOSA-N 2 1 298.471 2.425 20 0 CEADMP CCOC1CCC([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000657992420 415145903 /nfs/dbraw/zinc/14/59/03/415145903.db2.gz JSLUOVAOEJCTEZ-KLAILNCOSA-N 2 1 298.471 2.425 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC23CC3)CCCO1 ZINC000657993174 415149068 /nfs/dbraw/zinc/14/90/68/415149068.db2.gz XIZJWXYSFKZEFW-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC23CC3)CCCO1 ZINC000657993174 415149074 /nfs/dbraw/zinc/14/90/74/415149074.db2.gz XIZJWXYSFKZEFW-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP COC1([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)CCC1 ZINC000658030508 415165352 /nfs/dbraw/zinc/16/53/52/415165352.db2.gz DACGNXCHDZYGNY-ZDUSSCGKSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1COC2(CCC2)C1)C1CC1 ZINC000658033177 415165769 /nfs/dbraw/zinc/16/57/69/415165769.db2.gz WDOSOXCFALKNLQ-ZDUSSCGKSA-N 2 1 252.402 2.162 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000658036116 415167601 /nfs/dbraw/zinc/16/76/01/415167601.db2.gz UQVQCEDNMGOAQN-ZIAGYGMSSA-N 2 1 262.401 2.040 20 0 CEADMP COC1([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000658035583 415168577 /nfs/dbraw/zinc/16/85/77/415168577.db2.gz OSXOIMHNWTWJTR-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cnn(C)c1 ZINC000044494553 175182108 /nfs/dbraw/zinc/18/21/08/175182108.db2.gz BBRCCYXFCUVZKU-KGLIPLIRSA-N 2 1 264.417 2.335 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cnn(C)c1 ZINC000044494553 175182111 /nfs/dbraw/zinc/18/21/11/175182111.db2.gz BBRCCYXFCUVZKU-KGLIPLIRSA-N 2 1 264.417 2.335 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1CNc1cc(NC2CC2)ncn1 ZINC000664138607 415187636 /nfs/dbraw/zinc/18/76/36/415187636.db2.gz HRZQDAMTZSGBBM-GFCCVEGCSA-N 2 1 275.400 2.336 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655351908 415207160 /nfs/dbraw/zinc/20/71/60/415207160.db2.gz VBYPWNJMNMCQLE-RBSFLKMASA-N 2 1 295.471 2.286 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000658160274 415241018 /nfs/dbraw/zinc/24/10/18/415241018.db2.gz FAWSFFIYUIECLW-RYPNDVFKSA-N 2 1 252.402 2.016 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2c(C3CC3)cnn2C)[C@H](C)C1 ZINC000658213573 415258538 /nfs/dbraw/zinc/25/85/38/415258538.db2.gz QZLHQTJMDFPLAU-IUODEOHRSA-N 2 1 276.428 2.117 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C3CC3)cnn2C)[C@H](C)C1 ZINC000658213573 415258546 /nfs/dbraw/zinc/25/85/46/415258546.db2.gz QZLHQTJMDFPLAU-IUODEOHRSA-N 2 1 276.428 2.117 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C3CC3)cnn2C)[C@H](C)C1 ZINC000658213573 415258552 /nfs/dbraw/zinc/25/85/52/415258552.db2.gz QZLHQTJMDFPLAU-IUODEOHRSA-N 2 1 276.428 2.117 20 0 CEADMP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658227278 415265076 /nfs/dbraw/zinc/26/50/76/415265076.db2.gz AAXNCACJCZTDMO-HUUCEWRRSA-N 2 1 291.443 2.053 20 0 CEADMP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658227278 415265081 /nfs/dbraw/zinc/26/50/81/415265081.db2.gz AAXNCACJCZTDMO-HUUCEWRRSA-N 2 1 291.443 2.053 20 0 CEADMP CC[C@@H](C)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658123767 415221130 /nfs/dbraw/zinc/22/11/30/415221130.db2.gz LWSLEIRIZMQGRU-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000661490204 415285675 /nfs/dbraw/zinc/28/56/75/415285675.db2.gz DINIBQSJQQFPAB-UKRRQHHQSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000661490204 415285682 /nfs/dbraw/zinc/28/56/82/415285682.db2.gz DINIBQSJQQFPAB-UKRRQHHQSA-N 2 1 265.401 2.065 20 0 CEADMP CC1(C)[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1(F)F ZINC000658280649 415294125 /nfs/dbraw/zinc/29/41/25/415294125.db2.gz JTENNFHPGRONPE-LBPRGKRZSA-N 2 1 258.356 2.494 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000659021877 415392127 /nfs/dbraw/zinc/39/21/27/415392127.db2.gz INGVIBBIOICLQN-OAHLLOKOSA-N 2 1 290.411 2.012 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CS1 ZINC000655693964 415393012 /nfs/dbraw/zinc/39/30/12/415393012.db2.gz BKCLNIPGYBWFKD-ZOBORPQBSA-N 2 1 254.443 2.487 20 0 CEADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000655698454 415394818 /nfs/dbraw/zinc/39/48/18/415394818.db2.gz DOIXKSAALWXKRZ-SJORKVTESA-N 2 1 288.435 2.337 20 0 CEADMP CC(C)CC[C@@](C)(O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655716419 415408434 /nfs/dbraw/zinc/40/84/34/415408434.db2.gz XCKBPQYFMLGMOE-IAGOWNOFSA-N 2 1 298.471 2.017 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)CS1 ZINC000655717153 415409401 /nfs/dbraw/zinc/40/94/01/415409401.db2.gz VTVYGEABKUOCPD-HOCLYGCPSA-N 2 1 299.528 2.134 20 0 CEADMP COCCC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000655722427 415410999 /nfs/dbraw/zinc/41/09/99/415410999.db2.gz ARGJNGGYXXNCGD-INIZCTEOSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccncc1 ZINC000655721836 415411438 /nfs/dbraw/zinc/41/14/38/415411438.db2.gz RUTPGILFHYPOJJ-RHSMWYFYSA-N 2 1 289.423 2.028 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655739029 415426350 /nfs/dbraw/zinc/42/63/50/415426350.db2.gz UMIWDMFRQVKHEE-DJIMGWMZSA-N 2 1 296.455 2.035 20 0 CEADMP FC1(F)CC(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655769945 415448039 /nfs/dbraw/zinc/44/80/39/415448039.db2.gz SURVPFUIOZSRTK-CQSZACIVSA-N 2 1 288.382 2.265 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000655790064 415468515 /nfs/dbraw/zinc/46/85/15/415468515.db2.gz FGEJYXRANZLTKX-UHFFFAOYSA-N 2 1 282.815 2.276 20 0 CEADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000661857104 415503218 /nfs/dbraw/zinc/50/32/18/415503218.db2.gz MOXSSCGURSZUJP-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655848452 415515535 /nfs/dbraw/zinc/51/55/35/415515535.db2.gz JAIWNYUJPWCUIN-DLBZAZTESA-N 2 1 279.472 2.466 20 0 CEADMP C(C[N@H+]1CCC[C@H](OC2CCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000655947654 415560744 /nfs/dbraw/zinc/56/07/44/415560744.db2.gz USAZEFHPRLMRQH-ZFWWWQNUSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@H]1CCC[NH2+]C1 ZINC000655949527 415563459 /nfs/dbraw/zinc/56/34/59/415563459.db2.gz WWRKAEIMFOVTHU-LBPRGKRZSA-N 2 1 298.333 2.440 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@H]1CCC[NH2+]C1 ZINC000655949527 415563468 /nfs/dbraw/zinc/56/34/68/415563468.db2.gz WWRKAEIMFOVTHU-LBPRGKRZSA-N 2 1 298.333 2.440 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@H]1CCOC1 ZINC000665254054 415650479 /nfs/dbraw/zinc/65/04/79/415650479.db2.gz GVQHANXILFBMHO-JWZBEHFJSA-N 2 1 292.398 2.286 20 0 CEADMP CCC(C)(C)[NH+]1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000656193736 415628393 /nfs/dbraw/zinc/62/83/93/415628393.db2.gz QTRMOFDJEZMZJY-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP COc1cccc(OC)c1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000665237915 415637448 /nfs/dbraw/zinc/63/74/48/415637448.db2.gz MBDPWZNCRZBDDD-OCCSQVGLSA-N 2 1 278.396 2.182 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NCC[C@H]1CCC[NH+]1C ZINC000662176412 415672541 /nfs/dbraw/zinc/67/25/41/415672541.db2.gz DXQGZUSHGRROAO-CQSZACIVSA-N 2 1 255.450 2.181 20 0 CEADMP CCC[NH+](C)CC(C)(C)NCC[C@H]1CCC[N@@H+]1C ZINC000662176412 415672547 /nfs/dbraw/zinc/67/25/47/415672547.db2.gz DXQGZUSHGRROAO-CQSZACIVSA-N 2 1 255.450 2.181 20 0 CEADMP CCC[NH+](C)CC(C)(C)NCC[C@H]1CCC[N@H+]1C ZINC000662176412 415672553 /nfs/dbraw/zinc/67/25/53/415672553.db2.gz DXQGZUSHGRROAO-CQSZACIVSA-N 2 1 255.450 2.181 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000665295791 415683722 /nfs/dbraw/zinc/68/37/22/415683722.db2.gz IXFBIKQEWFHWEE-YNEHKIRRSA-N 2 1 250.386 2.385 20 0 CEADMP C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000665299100 415684592 /nfs/dbraw/zinc/68/45/92/415684592.db2.gz GFVKEORWVPBLDU-UAGQMJEPSA-N 3 1 279.472 2.229 20 0 CEADMP CC[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000665299157 415685718 /nfs/dbraw/zinc/68/57/18/415685718.db2.gz HOWNWQAJZMKVMP-ULQDDVLXSA-N 3 1 279.472 2.229 20 0 CEADMP N[C@@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300080 415689286 /nfs/dbraw/zinc/68/92/86/415689286.db2.gz YARAKZNLSZITKD-IAGOWNOFSA-N 2 1 279.472 2.358 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCO1 ZINC000665251207 415651828 /nfs/dbraw/zinc/65/18/28/415651828.db2.gz JXFPFTLLONAQJU-XLNGHYISSA-N 2 1 274.408 2.289 20 0 CEADMP Cc1ncsc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000071212339 176084419 /nfs/dbraw/zinc/08/44/19/176084419.db2.gz LGAPXZJSIPRXRB-UHFFFAOYSA-N 2 1 253.415 2.414 20 0 CEADMP c1cc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cs1 ZINC000662251129 415717891 /nfs/dbraw/zinc/71/78/91/415717891.db2.gz ZNRRGGVROJVZNC-KGLIPLIRSA-N 2 1 278.421 2.406 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254963 415719796 /nfs/dbraw/zinc/71/97/96/415719796.db2.gz MZOSIDPFPPXSND-LXTVHRRPSA-N 2 1 264.413 2.160 20 0 CEADMP C[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258464 415723870 /nfs/dbraw/zinc/72/38/70/415723870.db2.gz VAETZBLVVSWRHA-HIFRSBDPSA-N 2 1 272.392 2.127 20 0 CEADMP C[C@H]1C[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@H]1[NH3+] ZINC000662244389 415707962 /nfs/dbraw/zinc/70/79/62/415707962.db2.gz NSVUKLAUNBGBQE-CMPLNLGQSA-N 2 1 298.333 2.220 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@@H]1[NH3+] ZINC000662244393 415708267 /nfs/dbraw/zinc/70/82/67/415708267.db2.gz NSVUKLAUNBGBQE-PWSUYJOCSA-N 2 1 298.333 2.220 20 0 CEADMP c1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248421 415709508 /nfs/dbraw/zinc/70/95/08/415709508.db2.gz AXKIRVNTUVHEFC-JKSUJKDBSA-N 2 1 272.392 2.345 20 0 CEADMP C[C@H]1c2ccsc2CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249731 415710746 /nfs/dbraw/zinc/71/07/46/415710746.db2.gz YZXCWUGLSFFLFY-NWDGAFQWSA-N 2 1 278.421 2.188 20 0 CEADMP c1ccc(C[C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248464 415711111 /nfs/dbraw/zinc/71/11/11/415711111.db2.gz CDSRCKVBLZOAQF-IAGOWNOFSA-N 2 1 286.419 2.215 20 0 CEADMP CCOc1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)ccc1O ZINC000656496077 415739709 /nfs/dbraw/zinc/73/97/09/415739709.db2.gz MOXPYSBLYYTWMI-CYBMUJFWSA-N 2 1 287.363 2.092 20 0 CEADMP c1ccc2c(c1)CC[C@H]2CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662275572 415742840 /nfs/dbraw/zinc/74/28/40/415742840.db2.gz FIIMFYDIKYCGMV-ZWKOTPCHSA-N 2 1 299.462 2.086 20 0 CEADMP CCC[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662279146 415745698 /nfs/dbraw/zinc/74/56/98/415745698.db2.gz RHGKKPRGGMDOJK-INIZCTEOSA-N 2 1 274.408 2.333 20 0 CEADMP C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662300722 415764243 /nfs/dbraw/zinc/76/42/43/415764243.db2.gz HWTTVWNBNZIZQP-KSSFIOAISA-N 2 1 288.435 2.315 20 0 CEADMP C[C@H](CO)[C@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000662301280 415766210 /nfs/dbraw/zinc/76/62/10/415766210.db2.gz QOTNIRKDJWMQSF-GDBMZVCRSA-N 2 1 268.445 2.249 20 0 CEADMP c1ccc(O[C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000662316647 415773408 /nfs/dbraw/zinc/77/34/08/415773408.db2.gz LIDSSWNGOCJJFP-GDBMZVCRSA-N 2 1 260.381 2.139 20 0 CEADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662317808 415776476 /nfs/dbraw/zinc/77/64/76/415776476.db2.gz SSZLTGINBODNSD-HUUCEWRRSA-N 2 1 264.413 2.020 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662285759 415753409 /nfs/dbraw/zinc/75/34/09/415753409.db2.gz MYHYLRFHUQQSRX-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP C(c1nc(C2CC2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291210 415755678 /nfs/dbraw/zinc/75/56/78/415755678.db2.gz DKWTZBHJXDOITA-CQSZACIVSA-N 2 1 290.411 2.159 20 0 CEADMP CC/C=C/CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325804 415781556 /nfs/dbraw/zinc/78/15/56/415781556.db2.gz PYYWLTAYFKEBPT-LLYBFZRZSA-N 2 1 254.418 2.385 20 0 CEADMP CO[C@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CCCC1 ZINC000662325407 415782271 /nfs/dbraw/zinc/78/22/71/415782271.db2.gz FXXNQPSAHYETIO-IAGOWNOFSA-N 2 1 298.471 2.234 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@](C)(C(F)F)O1 ZINC000662335686 415786933 /nfs/dbraw/zinc/78/69/33/415786933.db2.gz OYBKIRQNJACVCP-DYEKYZERSA-N 2 1 276.371 2.121 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2COC(C)(C)C2)C1 ZINC000659975535 415818537 /nfs/dbraw/zinc/81/85/37/415818537.db2.gz XDDJRDDAJTWRFR-GJZGRUSLSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659975535 415818543 /nfs/dbraw/zinc/81/85/43/415818543.db2.gz XDDJRDDAJTWRFR-GJZGRUSLSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659975535 415818545 /nfs/dbraw/zinc/81/85/45/415818545.db2.gz XDDJRDDAJTWRFR-GJZGRUSLSA-N 2 1 266.429 2.218 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC000659978851 415823361 /nfs/dbraw/zinc/82/33/61/415823361.db2.gz GHEDWHHCJXFOFO-HNNXBMFYSA-N 2 1 295.427 2.224 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC000659978851 415823367 /nfs/dbraw/zinc/82/33/67/415823367.db2.gz GHEDWHHCJXFOFO-HNNXBMFYSA-N 2 1 295.427 2.224 20 0 CEADMP C([C@H]1CCSC1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783296 415859215 /nfs/dbraw/zinc/85/92/15/415859215.db2.gz OOYDMOFEADUSLV-HIFRSBDPSA-N 2 1 268.470 2.451 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)C1 ZINC000662484135 415859808 /nfs/dbraw/zinc/85/98/08/415859808.db2.gz GHLTZRVUSYOCOV-HOTGVXAUSA-N 2 1 297.487 2.188 20 0 CEADMP Cn1ncc(Cl)c1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656784851 415860187 /nfs/dbraw/zinc/86/01/87/415860187.db2.gz DBZCOTQXHVYATF-ZDUSSCGKSA-N 2 1 296.846 2.285 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000656791508 415865076 /nfs/dbraw/zinc/86/50/76/415865076.db2.gz IDTOSUJDQNLDIJ-OWCLPIDISA-N 2 1 266.429 2.267 20 0 CEADMP Cc1ccc([C@@H]2CCN(C[C@@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC000660247935 415941648 /nfs/dbraw/zinc/94/16/48/415941648.db2.gz CYVHUXDAPCRCDE-MSOLQXFVSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1ccc([C@@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2)cc1 ZINC000660247935 415941654 /nfs/dbraw/zinc/94/16/54/415941654.db2.gz CYVHUXDAPCRCDE-MSOLQXFVSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1ccc([C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC000660247935 415941660 /nfs/dbraw/zinc/94/16/60/415941660.db2.gz CYVHUXDAPCRCDE-MSOLQXFVSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660247935 415941661 /nfs/dbraw/zinc/94/16/61/415941661.db2.gz CYVHUXDAPCRCDE-MSOLQXFVSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1cccc([C@@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2)c1 ZINC000660250548 415943288 /nfs/dbraw/zinc/94/32/88/415943288.db2.gz ZCVJBLKIRJLPFO-QZTJIDSGSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1cccc([C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2)c1 ZINC000660250548 415943292 /nfs/dbraw/zinc/94/32/92/415943292.db2.gz ZCVJBLKIRJLPFO-QZTJIDSGSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1cccc([C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660250548 415943294 /nfs/dbraw/zinc/94/32/94/415943294.db2.gz ZCVJBLKIRJLPFO-QZTJIDSGSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1cccc([C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660250548 415943295 /nfs/dbraw/zinc/94/32/95/415943295.db2.gz ZCVJBLKIRJLPFO-QZTJIDSGSA-N 2 1 290.451 2.485 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662699504 415934315 /nfs/dbraw/zinc/93/43/15/415934315.db2.gz BNFCXECPEWBBPT-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000078599457 177358373 /nfs/dbraw/zinc/35/83/73/177358373.db2.gz ZTRRHRHOJABFGL-CQSZACIVSA-N 2 1 277.412 2.233 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000157926063 287347815 /nfs/dbraw/zinc/34/78/15/287347815.db2.gz UUEBWGPICQEATM-IXDOHACOSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000157926063 287347816 /nfs/dbraw/zinc/34/78/16/287347816.db2.gz UUEBWGPICQEATM-IXDOHACOSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000157926063 287347818 /nfs/dbraw/zinc/34/78/18/287347818.db2.gz UUEBWGPICQEATM-IXDOHACOSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000157926063 287347820 /nfs/dbraw/zinc/34/78/20/287347820.db2.gz UUEBWGPICQEATM-IXDOHACOSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000157926063 287347821 /nfs/dbraw/zinc/34/78/21/287347821.db2.gz UUEBWGPICQEATM-IXDOHACOSA-N 2 1 281.488 2.428 20 0 CEADMP CCc1nn(C)cc1C[NH2+]CC1([NH3+])CCCCCC1 ZINC000666808180 419433926 /nfs/dbraw/zinc/43/39/26/419433926.db2.gz UIQPMQCSIYICLJ-UHFFFAOYSA-N 2 1 264.417 2.124 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858936 419449083 /nfs/dbraw/zinc/44/90/83/419449083.db2.gz IXIIQMFTSWHBOM-RBSFLKMASA-N 3 1 253.434 2.029 20 0 CEADMP COC[C@@H]1CCC[N@@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000667620958 419735688 /nfs/dbraw/zinc/73/56/88/419735688.db2.gz VMIJNVGRSBRBHR-CQSZACIVSA-N 2 1 286.379 2.126 20 0 CEADMP COC[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667620958 419735691 /nfs/dbraw/zinc/73/56/91/419735691.db2.gz VMIJNVGRSBRBHR-CQSZACIVSA-N 2 1 286.379 2.126 20 0 CEADMP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1(O)CCCC1 ZINC000667650229 419746688 /nfs/dbraw/zinc/74/66/88/419746688.db2.gz QCKYMASLGJJZLP-UHFFFAOYSA-N 2 1 286.379 2.004 20 0 CEADMP Cc1[nH+]cc(CN(C)CC[C@H]2CCCC[N@@H+]2C)n1C ZINC000667668136 419766541 /nfs/dbraw/zinc/76/65/41/419766541.db2.gz CYMWXCJWHQHNLB-CQSZACIVSA-N 2 1 264.417 2.035 20 0 CEADMP Cc1[nH+]cc(CN(C)CC[C@H]2CCCC[N@H+]2C)n1C ZINC000667668136 419766547 /nfs/dbraw/zinc/76/65/47/419766547.db2.gz CYMWXCJWHQHNLB-CQSZACIVSA-N 2 1 264.417 2.035 20 0 CEADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000667769217 419795566 /nfs/dbraw/zinc/79/55/66/419795566.db2.gz QKVZZIYNZQQZCM-HNNXBMFYSA-N 2 1 290.411 2.012 20 0 CEADMP CCn1nnc(C)c1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000449084868 260207649 /nfs/dbraw/zinc/20/76/49/260207649.db2.gz ZJMFNFCDFQPPSQ-CQSZACIVSA-N 2 1 293.459 2.351 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000449191338 260288203 /nfs/dbraw/zinc/28/82/03/260288203.db2.gz XGGAWOJTQYSEHJ-OFQRWUPVSA-N 2 1 284.444 2.031 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)[C@@H]1C ZINC000518011514 260335230 /nfs/dbraw/zinc/33/52/30/260335230.db2.gz UNLNZXBQKFKQIL-WCVJEAGWSA-N 2 1 296.455 2.284 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000518171366 260347856 /nfs/dbraw/zinc/34/78/56/260347856.db2.gz XKPXJFACDQQQFO-OWCLPIDISA-N 2 1 294.826 2.241 20 0 CEADMP C[C@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000497254012 262127358 /nfs/dbraw/zinc/12/73/58/262127358.db2.gz QYOYOMMXWUMHHI-STQMWFEESA-N 2 1 299.459 2.206 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCc1cccc(OC)c1 ZINC000019933420 262179700 /nfs/dbraw/zinc/17/97/00/262179700.db2.gz PKWIXEPGRHBLJS-OAHLLOKOSA-N 2 1 262.397 2.312 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCc1cccc(OC)c1 ZINC000019933420 262179702 /nfs/dbraw/zinc/17/97/02/262179702.db2.gz PKWIXEPGRHBLJS-OAHLLOKOSA-N 2 1 262.397 2.312 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000390792109 262346563 /nfs/dbraw/zinc/34/65/63/262346563.db2.gz GAWBGUDMVNCCCV-CHWSQXEVSA-N 2 1 299.459 2.220 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)[C@@H]2CCC[C@H]21 ZINC000425954010 264071545 /nfs/dbraw/zinc/07/15/45/264071545.db2.gz MGLABARBORSTGH-RWMBFGLXSA-N 2 1 258.356 2.494 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OC ZINC000425983966 264264400 /nfs/dbraw/zinc/26/44/00/264264400.db2.gz XWPPXMUMKCDZFG-GASCZTMLSA-N 2 1 290.407 2.006 20 0 CEADMP COc1cc(C)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OC ZINC000425983966 264264404 /nfs/dbraw/zinc/26/44/04/264264404.db2.gz XWPPXMUMKCDZFG-GASCZTMLSA-N 2 1 290.407 2.006 20 0 CEADMP COc1cc(C)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1OC ZINC000425983966 264264406 /nfs/dbraw/zinc/26/44/06/264264406.db2.gz XWPPXMUMKCDZFG-GASCZTMLSA-N 2 1 290.407 2.006 20 0 CEADMP COc1cc(C)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1OC ZINC000425983966 264264410 /nfs/dbraw/zinc/26/44/10/264264410.db2.gz XWPPXMUMKCDZFG-GASCZTMLSA-N 2 1 290.407 2.006 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)Cc2ccccc2)[C@H](C)C1 ZINC000425417541 264295213 /nfs/dbraw/zinc/29/52/13/264295213.db2.gz MTXDBWJFMDQPON-BPQIPLTHSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)Cc2ccccc2)[C@H](C)C1 ZINC000425417541 264295215 /nfs/dbraw/zinc/29/52/15/264295215.db2.gz MTXDBWJFMDQPON-BPQIPLTHSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2)[C@H](C)C1 ZINC000425417541 264295217 /nfs/dbraw/zinc/29/52/17/264295217.db2.gz MTXDBWJFMDQPON-BPQIPLTHSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](OC)C2CC2)C1 ZINC000425424925 264314046 /nfs/dbraw/zinc/31/40/46/264314046.db2.gz XNZYVRHBULQCTL-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397359753 270353527 /nfs/dbraw/zinc/35/35/27/270353527.db2.gz XFKHNEOZGYXFED-KFWWJZLASA-N 2 1 284.444 2.415 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1ccccc1OCc1cccnc1 ZINC000514601999 266013925 /nfs/dbraw/zinc/01/39/25/266013925.db2.gz CTRBTIXAVQTOGY-UHFFFAOYSA-N 2 1 285.391 2.441 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1ccccc1OCc1cccnc1 ZINC000514601999 266013927 /nfs/dbraw/zinc/01/39/27/266013927.db2.gz CTRBTIXAVQTOGY-UHFFFAOYSA-N 2 1 285.391 2.441 20 0 CEADMP CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC1CC1 ZINC000227800062 270312315 /nfs/dbraw/zinc/31/23/15/270312315.db2.gz UQGJLYJSEFPNNK-IRXDYDNUSA-N 2 1 276.424 2.039 20 0 CEADMP CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC1CC1 ZINC000227800062 270312317 /nfs/dbraw/zinc/31/23/17/270312317.db2.gz UQGJLYJSEFPNNK-IRXDYDNUSA-N 2 1 276.424 2.039 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000250119455 270328166 /nfs/dbraw/zinc/32/81/66/270328166.db2.gz UWYMJHVHLBSLBZ-SYQHCUMBSA-N 2 1 254.418 2.262 20 0 CEADMP COC(=O)CC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000260189758 270330073 /nfs/dbraw/zinc/33/00/73/270330073.db2.gz UQMNQUVSYOCEIW-HNNXBMFYSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392212426 270340047 /nfs/dbraw/zinc/34/00/47/270340047.db2.gz KBUOKCRVXLYHDH-ZBFHGGJFSA-N 3 1 265.445 2.149 20 0 CEADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392212425 270340109 /nfs/dbraw/zinc/34/01/09/270340109.db2.gz KBUOKCRVXLYHDH-HOCLYGCPSA-N 3 1 265.445 2.149 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395085957 270344633 /nfs/dbraw/zinc/34/46/33/270344633.db2.gz CUOSERRVWZBJMC-JQHSSLGASA-N 2 1 287.451 2.381 20 0 CEADMP CC(C)CCOCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397386243 270353103 /nfs/dbraw/zinc/35/31/03/270353103.db2.gz MADRRPHNTUWQMC-ILXRZTDVSA-N 2 1 256.434 2.354 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cncc(F)c2)C[C@@H]1C[NH3+] ZINC000397334996 270353290 /nfs/dbraw/zinc/35/32/90/270353290.db2.gz XYBHQKJHNLGPPA-WZRBSPASSA-N 2 1 251.349 2.026 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cncc(F)c2)C[C@@H]1C[NH3+] ZINC000397334996 270353292 /nfs/dbraw/zinc/35/32/92/270353292.db2.gz XYBHQKJHNLGPPA-WZRBSPASSA-N 2 1 251.349 2.026 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000398140536 270356816 /nfs/dbraw/zinc/35/68/16/270356816.db2.gz WFOXCUXCVMWKNJ-NXHRZFHOSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000398140536 270356819 /nfs/dbraw/zinc/35/68/19/270356819.db2.gz WFOXCUXCVMWKNJ-NXHRZFHOSA-N 2 1 287.451 2.239 20 0 CEADMP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000418467128 270378143 /nfs/dbraw/zinc/37/81/43/270378143.db2.gz OPCLVNFCHHTWSD-ZNMIVQPWSA-N 2 1 298.475 2.018 20 0 CEADMP OCC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000420304386 270509689 /nfs/dbraw/zinc/50/96/89/270509689.db2.gz OJGCKUYQHHAYEZ-MAUKXSAKSA-N 2 1 288.435 2.358 20 0 CEADMP COC1([C@H](C)[NH2+]CC2([NH+](C)C)CCOCC2)CCCCC1 ZINC000421828522 270666513 /nfs/dbraw/zinc/66/65/13/270666513.db2.gz DCXDPTRQWHOLHJ-HNNXBMFYSA-N 2 1 298.471 2.425 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422744622 270750336 /nfs/dbraw/zinc/75/03/36/270750336.db2.gz KKFGIJAHJBBVAD-HLLBOEOZSA-N 2 1 273.424 2.386 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1ccccc1F ZINC000423093476 270835220 /nfs/dbraw/zinc/83/52/20/270835220.db2.gz HPTDRIFJCBTXAF-WFASDCNBSA-N 2 1 250.361 2.346 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423274751 270886009 /nfs/dbraw/zinc/88/60/09/270886009.db2.gz MHWLHHMMGHHVMI-PBHICJAKSA-N 3 1 293.455 2.261 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000423522060 270921114 /nfs/dbraw/zinc/92/11/14/270921114.db2.gz RGRYVKFHBYJVHY-KURKYZTESA-N 2 1 287.451 2.206 20 0 CEADMP C[C@H]1C[N@H+](C)CCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424137764 271021745 /nfs/dbraw/zinc/02/17/45/271021745.db2.gz CKTWEYACOQNKQX-HOCLYGCPSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@H]1C[N@@H+](C)CCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424137764 271021748 /nfs/dbraw/zinc/02/17/48/271021748.db2.gz CKTWEYACOQNKQX-HOCLYGCPSA-N 2 1 295.471 2.227 20 0 CEADMP CC(C)n1cncc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000424177024 271028259 /nfs/dbraw/zinc/02/82/59/271028259.db2.gz SZGCVSCVHJYTPU-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2C[C@H]2C2CCC2)s1 ZINC000424196566 271030646 /nfs/dbraw/zinc/03/06/46/271030646.db2.gz NAPGPYRMANMXAY-QWHCGFSZSA-N 2 1 265.426 2.483 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000424197377 271031030 /nfs/dbraw/zinc/03/10/30/271031030.db2.gz HJJJMQMLOXFYFB-XLNGHYISSA-N 2 1 274.408 2.152 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000424197377 271031034 /nfs/dbraw/zinc/03/10/34/271031034.db2.gz HJJJMQMLOXFYFB-XLNGHYISSA-N 2 1 274.408 2.152 20 0 CEADMP CC(C)(C)[C@H]([NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424333196 271047346 /nfs/dbraw/zinc/04/73/46/271047346.db2.gz DAIDNYLAFBWVGQ-SECBINFHSA-N 2 1 252.362 2.234 20 0 CEADMP C[C@H]1C[C@H]1[N@H+]1CCN(CC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000428994903 271303253 /nfs/dbraw/zinc/30/32/53/271303253.db2.gz NYCXUMQFARKOON-IXDOHACOSA-N 2 1 279.472 2.134 20 0 CEADMP OC[C@@H](CC(F)F)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000429451237 271331811 /nfs/dbraw/zinc/33/18/11/271331811.db2.gz LCLZQLNWUCOSJX-OAHLLOKOSA-N 2 1 298.377 2.257 20 0 CEADMP CC1=C[C@@H](C)C[N@@H+](C[C@H](O)CN2CC(C)=C[C@H](C)C2)C1 ZINC000430281364 271370343 /nfs/dbraw/zinc/37/03/43/271370343.db2.gz CKTSJXHJYCPXQU-SICCLAIWSA-N 2 1 278.440 2.143 20 0 CEADMP CC1=C[C@@H](C)C[N@H+](C[C@H](O)CN2CC(C)=C[C@H](C)C2)C1 ZINC000430281364 271370347 /nfs/dbraw/zinc/37/03/47/271370347.db2.gz CKTSJXHJYCPXQU-SICCLAIWSA-N 2 1 278.440 2.143 20 0 CEADMP CC1=C[C@@H](C)C[N@H+](C[C@H](O)C[NH+]2CC(C)=C[C@H](C)C2)C1 ZINC000430281364 271370349 /nfs/dbraw/zinc/37/03/49/271370349.db2.gz CKTSJXHJYCPXQU-SICCLAIWSA-N 2 1 278.440 2.143 20 0 CEADMP CC1=C[C@@H](C)C[N@@H+](C[C@H](O)C[NH+]2CC(C)=C[C@H](C)C2)C1 ZINC000430281364 271370351 /nfs/dbraw/zinc/37/03/51/271370351.db2.gz CKTSJXHJYCPXQU-SICCLAIWSA-N 2 1 278.440 2.143 20 0 CEADMP CC1=C[C@@H](C)C[NH+](C[C@H](O)C[N@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430281364 271370354 /nfs/dbraw/zinc/37/03/54/271370354.db2.gz CKTSJXHJYCPXQU-SICCLAIWSA-N 2 1 278.440 2.143 20 0 CEADMP CC1=C[C@@H](C)C[NH+](C[C@H](O)C[N@@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430281364 271370355 /nfs/dbraw/zinc/37/03/55/271370355.db2.gz CKTSJXHJYCPXQU-SICCLAIWSA-N 2 1 278.440 2.143 20 0 CEADMP CC[NH2+]CC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000430542997 271388258 /nfs/dbraw/zinc/38/82/58/271388258.db2.gz LQOSZDHUJHYZIF-LLVKDONJSA-N 2 1 278.400 2.330 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000430551629 271388416 /nfs/dbraw/zinc/38/84/16/271388416.db2.gz MGWKNUJOZANYFX-CHWSQXEVSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@](C[NH3+])([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C1CC1 ZINC000430570832 271392918 /nfs/dbraw/zinc/39/29/18/271392918.db2.gz CHUZSWINNGRETF-OAHLLOKOSA-N 2 1 296.798 2.328 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430591464 271396205 /nfs/dbraw/zinc/39/62/05/271396205.db2.gz FSWOIGBPYAXFMK-JQWIXIFHSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430591464 271396208 /nfs/dbraw/zinc/39/62/08/271396208.db2.gz FSWOIGBPYAXFMK-JQWIXIFHSA-N 2 1 251.374 2.105 20 0 CEADMP CC[N@H+](CC(=O)N(C)C1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435626856 271633957 /nfs/dbraw/zinc/63/39/57/271633957.db2.gz PSOFVRQYGAZNBS-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@@H+](CC(=O)N(C)C1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435626856 271633959 /nfs/dbraw/zinc/63/39/59/271633959.db2.gz PSOFVRQYGAZNBS-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414353978 274335589 /nfs/dbraw/zinc/33/55/89/274335589.db2.gz WOIJPLUFYPZGSW-UNEWFSDZSA-N 2 1 291.414 2.334 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414353978 274335590 /nfs/dbraw/zinc/33/55/90/274335590.db2.gz WOIJPLUFYPZGSW-UNEWFSDZSA-N 2 1 291.414 2.334 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000360053289 274340070 /nfs/dbraw/zinc/34/00/70/274340070.db2.gz CZKUCKBBTYCPJF-KJWYOANISA-N 2 1 287.451 2.491 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000360053289 274340073 /nfs/dbraw/zinc/34/00/73/274340073.db2.gz CZKUCKBBTYCPJF-KJWYOANISA-N 2 1 287.451 2.491 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000360053289 274340075 /nfs/dbraw/zinc/34/00/75/274340075.db2.gz CZKUCKBBTYCPJF-KJWYOANISA-N 2 1 287.451 2.491 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000360053289 274340077 /nfs/dbraw/zinc/34/00/77/274340077.db2.gz CZKUCKBBTYCPJF-KJWYOANISA-N 2 1 287.451 2.491 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351540960 276041186 /nfs/dbraw/zinc/04/11/86/276041186.db2.gz WRZWSBMCQODVIT-IMJJTQAJSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351540960 276041187 /nfs/dbraw/zinc/04/11/87/276041187.db2.gz WRZWSBMCQODVIT-IMJJTQAJSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351540960 276041188 /nfs/dbraw/zinc/04/11/88/276041188.db2.gz WRZWSBMCQODVIT-IMJJTQAJSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351540960 276041190 /nfs/dbraw/zinc/04/11/90/276041190.db2.gz WRZWSBMCQODVIT-IMJJTQAJSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000367574565 276096128 /nfs/dbraw/zinc/09/61/28/276096128.db2.gz KGDJAFZYKMGKLK-ZDUSSCGKSA-N 2 1 296.377 2.498 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000367574565 276096130 /nfs/dbraw/zinc/09/61/30/276096130.db2.gz KGDJAFZYKMGKLK-ZDUSSCGKSA-N 2 1 296.377 2.498 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H](CO)c1ccccc1 ZINC000182510379 276097479 /nfs/dbraw/zinc/09/74/79/276097479.db2.gz WLZHAKDUXFHONW-HNNXBMFYSA-N 2 1 250.386 2.042 20 0 CEADMP CC[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000370048014 276099151 /nfs/dbraw/zinc/09/91/51/276099151.db2.gz VTNIFJGROIVNKN-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC1(C)OCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000334283892 276156069 /nfs/dbraw/zinc/15/60/69/276156069.db2.gz ZNNRPLTZQLVATD-RUXDESIVSA-N 2 1 252.402 2.160 20 0 CEADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000305101247 276213476 /nfs/dbraw/zinc/21/34/76/276213476.db2.gz BJZQBORORUASQU-NWANDNLSSA-N 2 1 256.434 2.103 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000343937713 276232706 /nfs/dbraw/zinc/23/27/06/276232706.db2.gz QAYVMZCWQHJGGA-DZKIICNBSA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000343937713 276232707 /nfs/dbraw/zinc/23/27/07/276232707.db2.gz QAYVMZCWQHJGGA-DZKIICNBSA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000343937713 276232709 /nfs/dbraw/zinc/23/27/09/276232709.db2.gz QAYVMZCWQHJGGA-DZKIICNBSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@H+]1CCC ZINC000359950805 276271447 /nfs/dbraw/zinc/27/14/47/276271447.db2.gz UOHXMCBRTQDWAC-HUUCEWRRSA-N 2 1 283.460 2.144 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CC[NH2+]C(C)(C)C)C[C@H]1C ZINC000414743748 276394301 /nfs/dbraw/zinc/39/43/01/276394301.db2.gz OQNNZCNJIWVDSC-ZIAGYGMSSA-N 2 1 255.450 2.179 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCOC1 ZINC000119711480 276583446 /nfs/dbraw/zinc/58/34/46/276583446.db2.gz AMDWQVUWAOHFPH-WFASDCNBSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C1CC1 ZINC000344010281 276792705 /nfs/dbraw/zinc/79/27/05/276792705.db2.gz HNKCWFSHQZQGRE-KBUPBQIOSA-N 2 1 266.429 2.120 20 0 CEADMP COC(=O)C1CCC([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000414922924 277052170 /nfs/dbraw/zinc/05/21/70/277052170.db2.gz DILBJOAFXFZCAF-RUXDESIVSA-N 2 1 282.428 2.086 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000363459713 277077757 /nfs/dbraw/zinc/07/77/57/277077757.db2.gz QHYHYXAIFJBOPA-AWEZNQCLSA-N 2 1 262.401 2.073 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000353670272 277173339 /nfs/dbraw/zinc/17/33/39/277173339.db2.gz KUHAMNHIOGGYHE-XWTMOSNGSA-N 2 1 288.435 2.052 20 0 CEADMP CC(C)(C)OCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414436 277215040 /nfs/dbraw/zinc/21/50/40/277215040.db2.gz NGUCVWHTTVWCOA-KFWWJZLASA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)(C)OCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414436 277215042 /nfs/dbraw/zinc/21/50/42/277215042.db2.gz NGUCVWHTTVWCOA-KFWWJZLASA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)(C)OCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414436 277215043 /nfs/dbraw/zinc/21/50/43/277215043.db2.gz NGUCVWHTTVWCOA-KFWWJZLASA-N 2 1 266.429 2.218 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000071147759 277286234 /nfs/dbraw/zinc/28/62/34/277286234.db2.gz HILOUKBSCIXBNP-CYBMUJFWSA-N 2 1 250.411 2.320 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C12CCC2 ZINC000344175020 277316352 /nfs/dbraw/zinc/31/63/52/277316352.db2.gz SFCFHTIZOXYNED-VYDRJRHOSA-N 2 1 266.429 2.262 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C12CCC2 ZINC000344175020 277316355 /nfs/dbraw/zinc/31/63/55/277316355.db2.gz SFCFHTIZOXYNED-VYDRJRHOSA-N 2 1 266.429 2.262 20 0 CEADMP CC(C)CC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367685695 277353220 /nfs/dbraw/zinc/35/32/20/277353220.db2.gz RKVQGEVYNGFLNL-INIZCTEOSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+]CC(C)(C)N)CC1 ZINC000415090907 277353998 /nfs/dbraw/zinc/35/39/98/277353998.db2.gz ZRDQKJOMBKTGKG-UHFFFAOYSA-N 2 1 255.450 2.071 20 0 CEADMP CC(C)CC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351530609 277361623 /nfs/dbraw/zinc/36/16/23/277361623.db2.gz BNWZSYPGZZFWEU-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351530609 277361625 /nfs/dbraw/zinc/36/16/25/277361625.db2.gz BNWZSYPGZZFWEU-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)CC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351530609 277361626 /nfs/dbraw/zinc/36/16/26/277361626.db2.gz BNWZSYPGZZFWEU-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)CC[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351530609 277361627 /nfs/dbraw/zinc/36/16/27/277361627.db2.gz BNWZSYPGZZFWEU-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[N@H+]1CCCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000371210434 277389791 /nfs/dbraw/zinc/38/97/91/277389791.db2.gz ZPDRSAWGDVERJG-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP CC(C)C[NH+]1CCCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000371210434 277389792 /nfs/dbraw/zinc/38/97/92/277389792.db2.gz ZPDRSAWGDVERJG-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP CC(C)C[NH+]1CCCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000371210434 277389794 /nfs/dbraw/zinc/38/97/94/277389794.db2.gz ZPDRSAWGDVERJG-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1CCCC[C@H]1CC[NH3+])OCO2 ZINC000352526224 277391313 /nfs/dbraw/zinc/39/13/13/277391313.db2.gz LPZCQUBPDHXBPH-ZDUSSCGKSA-N 2 1 292.379 2.127 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CCCC[C@H]1CC[NH3+])OCO2 ZINC000352526224 277391315 /nfs/dbraw/zinc/39/13/15/277391315.db2.gz LPZCQUBPDHXBPH-ZDUSSCGKSA-N 2 1 292.379 2.127 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000166047171 278002180 /nfs/dbraw/zinc/00/21/80/278002180.db2.gz PZWJPFCBVCAPAL-HZSPNIEDSA-N 2 1 297.487 2.233 20 0 CEADMP C[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCS1 ZINC000310310162 278123618 /nfs/dbraw/zinc/12/36/18/278123618.db2.gz WHCTZYCHDYRLCW-AWEZNQCLSA-N 2 1 254.443 2.489 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414825040 278216861 /nfs/dbraw/zinc/21/68/61/278216861.db2.gz RUUXYDWSLNVXHL-FPCVCCKLSA-N 3 1 267.461 2.275 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(=O)N(C)C ZINC000189010013 278254677 /nfs/dbraw/zinc/25/46/77/278254677.db2.gz OQHUQYONMQSJIX-IJEWVQPXSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]([NH3+])CCC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000193322602 278305961 /nfs/dbraw/zinc/30/59/61/278305961.db2.gz HAYOXKZFRCLIRB-CABCVRRESA-N 2 1 291.439 2.141 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(=O)N(C)C ZINC000357878145 278336176 /nfs/dbraw/zinc/33/61/76/278336176.db2.gz OQHUQYONMQSJIX-IIAWOOMASA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](CC)CCCN1[C@H](C)C[N@H+](CC)C[C@@H]1C ZINC000347707582 279096337 /nfs/dbraw/zinc/09/63/37/279096337.db2.gz QNBNUKXLKBEYBE-GASCZTMLSA-N 2 1 255.450 2.133 20 0 CEADMP CC[NH+](CC)CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000181407318 279104515 /nfs/dbraw/zinc/10/45/15/279104515.db2.gz ZSHLSSZQKCOZPE-NVXWUHKLSA-N 2 1 279.472 2.277 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000414852438 279142343 /nfs/dbraw/zinc/14/23/43/279142343.db2.gz RCWFARQYMMSQSF-DZGCQCFKSA-N 2 1 266.433 2.358 20 0 CEADMP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000370670510 279157908 /nfs/dbraw/zinc/15/79/08/279157908.db2.gz CSEJXNIRYZCAEC-NWANDNLSSA-N 2 1 274.412 2.371 20 0 CEADMP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000370670510 279157911 /nfs/dbraw/zinc/15/79/11/279157911.db2.gz CSEJXNIRYZCAEC-NWANDNLSSA-N 2 1 274.412 2.371 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000300687385 279355400 /nfs/dbraw/zinc/35/54/00/279355400.db2.gz LQHTVYFWXYRXDM-BZUAXINKSA-N 2 1 267.461 2.227 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000300687385 279355403 /nfs/dbraw/zinc/35/54/03/279355403.db2.gz LQHTVYFWXYRXDM-BZUAXINKSA-N 3 1 267.461 2.227 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000300687385 279355404 /nfs/dbraw/zinc/35/54/04/279355404.db2.gz LQHTVYFWXYRXDM-BZUAXINKSA-N 3 1 267.461 2.227 20 0 CEADMP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000248880192 279395630 /nfs/dbraw/zinc/39/56/30/279395630.db2.gz SBJSVHQRSPYASV-XHSDSOJGSA-N 2 1 295.471 2.227 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)[NH+](C)C ZINC000128914410 279899219 /nfs/dbraw/zinc/89/92/19/279899219.db2.gz XSIJPIKMDDZQLF-CFVMTHIKSA-N 2 1 256.434 2.367 20 0 CEADMP CC[N@@H+](CC(=O)NCCCC[NH+]1CCCC[C@@H]1C)C1CC1 ZINC000135964813 280056895 /nfs/dbraw/zinc/05/68/95/280056895.db2.gz ZCPRNMBNWHWBLS-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000135964813 280056896 /nfs/dbraw/zinc/05/68/96/280056896.db2.gz ZCPRNMBNWHWBLS-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@H]1CCCO1 ZINC000189425363 280149001 /nfs/dbraw/zinc/14/90/01/280149001.db2.gz MDZSBZFXJZOOIO-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C(C)(C)C ZINC000247022020 280318250 /nfs/dbraw/zinc/31/82/50/280318250.db2.gz KUNDFFSCYBUOQI-IGQOVBAYSA-N 2 1 256.434 2.366 20 0 CEADMP CC[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000247129316 280321002 /nfs/dbraw/zinc/32/10/02/280321002.db2.gz RPOVZHMSCGOYDK-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOC(C)C)[C@@H](C)C1 ZINC000248481962 280349234 /nfs/dbraw/zinc/34/92/34/280349234.db2.gz BRMXTYKKNYNGOI-HOTGVXAUSA-N 2 1 286.460 2.138 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@H]3CCOC[C@@H]3C)CC2)[nH+]c1 ZINC000195044019 280864288 /nfs/dbraw/zinc/86/42/88/280864288.db2.gz GCTFWANETPVKIN-HOCLYGCPSA-N 2 1 289.423 2.373 20 0 CEADMP CC1CC[NH+](CCCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422875380 280944969 /nfs/dbraw/zinc/94/49/69/280944969.db2.gz FBDKLIOVQFUFBH-CVEARBPZSA-N 3 1 267.461 2.086 20 0 CEADMP CC[NH+](CC)CCOCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423031805 281002408 /nfs/dbraw/zinc/00/24/08/281002408.db2.gz DRUPRCYKLJKYPV-IRXDYDNUSA-N 3 1 291.439 2.079 20 0 CEADMP CC[C@@H]([NH2+]CCc1nn(C)c2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000423051445 281011530 /nfs/dbraw/zinc/01/15/30/281011530.db2.gz NHKOUHOENZFPEX-ZBFHGGJFSA-N 2 1 286.423 2.236 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000423060179 281015108 /nfs/dbraw/zinc/01/51/08/281015108.db2.gz HNNJIEUHIMCXBI-NXEZZACHSA-N 2 1 280.803 2.442 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)[C@H]1CCCC[NH2+]1 ZINC000423162272 281020838 /nfs/dbraw/zinc/02/08/38/281020838.db2.gz OYUKPCSHVIIHTN-KCYZZUKISA-N 2 1 289.423 2.422 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000423407737 281032449 /nfs/dbraw/zinc/03/24/49/281032449.db2.gz NDTGITQXONBUIR-ZFWWWQNUSA-N 2 1 295.471 2.131 20 0 CEADMP CSc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000423419568 281036787 /nfs/dbraw/zinc/03/67/87/281036787.db2.gz BBMIRYQTHAVZHO-HJUHTLPRSA-N 2 1 266.385 2.416 20 0 CEADMP CCC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(OC)cc1 ZINC000423425485 281037742 /nfs/dbraw/zinc/03/77/42/281037742.db2.gz GVFBQPGYWIVIJM-XUWVNRHRSA-N 2 1 260.381 2.344 20 0 CEADMP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CC2CCCCC2)C[N@H+]1C1CC1 ZINC000423438030 281042626 /nfs/dbraw/zinc/04/26/26/281042626.db2.gz UURCBQVOWUHYET-IVMMDQJWSA-N 2 1 293.455 2.026 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423465627 281049084 /nfs/dbraw/zinc/04/90/84/281049084.db2.gz MVHZTDOEKOZKKO-ZFWWWQNUSA-N 3 1 279.428 2.015 20 0 CEADMP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423467447 281049877 /nfs/dbraw/zinc/04/98/77/281049877.db2.gz ZATLMDBTJPNHQK-KPZJGCQBSA-N 2 1 260.356 2.257 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000423495777 281055405 /nfs/dbraw/zinc/05/54/05/281055405.db2.gz CQABOQKXCKYWJO-IAOVAPTHSA-N 2 1 275.440 2.179 20 0 CEADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423516150 281060472 /nfs/dbraw/zinc/06/04/72/281060472.db2.gz NMHQNQBMACAUBY-ROUUACIJSA-N 2 1 289.467 2.137 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1cccc3c1OCO3)CC[NH2+]CC2 ZINC000424376294 281153170 /nfs/dbraw/zinc/15/31/70/281153170.db2.gz KWRGLTXCFGINGW-ZDUSSCGKSA-N 2 1 288.391 2.379 20 0 CEADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)C(C)(C)C ZINC000424533389 281161306 /nfs/dbraw/zinc/16/13/06/281161306.db2.gz LOMVFKXUXZOUAL-KBPBESRZSA-N 2 1 297.487 2.342 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H](C)[C@H]3CCOC3)CC2)[nH+]1 ZINC000128101937 281225549 /nfs/dbraw/zinc/22/55/49/281225549.db2.gz QTYUHGWLJIXJBB-GJZGRUSLSA-N 2 1 289.423 2.373 20 0 CEADMP CCO[C@@H](C)c1nc(C[NH+]2CCC(C[NH3+])CC2)cs1 ZINC000430624296 281270963 /nfs/dbraw/zinc/27/09/63/281270963.db2.gz OVSIGSBDQSONLP-NSHDSACASA-N 2 1 283.441 2.411 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2nc3ccccc3nc2C)C1 ZINC000430642714 281272713 /nfs/dbraw/zinc/27/27/13/281272713.db2.gz KRHYTQRGWRELHE-CQSZACIVSA-N 2 1 284.407 2.370 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2nc3ccccc3nc2C)C1 ZINC000430642714 281272715 /nfs/dbraw/zinc/27/27/15/281272715.db2.gz KRHYTQRGWRELHE-CQSZACIVSA-N 2 1 284.407 2.370 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH3+])cc2)C[C@@H]1C ZINC000430798343 281277086 /nfs/dbraw/zinc/27/70/86/281277086.db2.gz SYBLRKIVNQMFDC-BBRMVZONSA-N 2 1 289.423 2.090 20 0 CEADMP CCn1nc(C)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000432784257 281340135 /nfs/dbraw/zinc/34/01/35/281340135.db2.gz GDONPXTXQLFHJV-HNNXBMFYSA-N 2 1 278.444 2.436 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000432784257 281340141 /nfs/dbraw/zinc/34/01/41/281340141.db2.gz GDONPXTXQLFHJV-HNNXBMFYSA-N 2 1 278.444 2.436 20 0 CEADMP Cn1ccnc1C[N@@H+](CC1CCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435696542 281392066 /nfs/dbraw/zinc/39/20/66/281392066.db2.gz UOMMCAGJPYKGBQ-OAHLLOKOSA-N 2 1 288.439 2.164 20 0 CEADMP C[NH2+]CCC[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000435869655 281399591 /nfs/dbraw/zinc/39/95/91/281399591.db2.gz COFMOBJQJBHAQE-INIZCTEOSA-N 2 1 264.413 2.115 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@@H]3CCOC3)C1)CCCC2 ZINC000336629113 282020994 /nfs/dbraw/zinc/02/09/94/282020994.db2.gz XGLHYDJXLWXOQB-ZIAGYGMSSA-N 2 1 275.396 2.106 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@@H]3CCOC3)C1)CCCC2 ZINC000336629113 282020995 /nfs/dbraw/zinc/02/09/95/282020995.db2.gz XGLHYDJXLWXOQB-ZIAGYGMSSA-N 2 1 275.396 2.106 20 0 CEADMP COCC[C@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000347436034 292672492 /nfs/dbraw/zinc/67/24/92/292672492.db2.gz VZZUMBBQYHDKDQ-HNNXBMFYSA-N 2 1 298.471 2.425 20 0 CEADMP C(C[NH+]1C[C@@H]2CCC[C@@H]2C1)OCC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153017858 289103399 /nfs/dbraw/zinc/10/33/99/289103399.db2.gz KLRZCYBZZVMNBT-USTZCAOPSA-N 2 1 292.467 2.467 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000156311328 289193368 /nfs/dbraw/zinc/19/33/68/289193368.db2.gz PNLVHJUASYOIHS-HZSPNIEDSA-N 2 1 297.443 2.068 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000156311328 289193370 /nfs/dbraw/zinc/19/33/70/289193370.db2.gz PNLVHJUASYOIHS-HZSPNIEDSA-N 2 1 297.443 2.068 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1F ZINC000157304763 289211773 /nfs/dbraw/zinc/21/17/73/289211773.db2.gz KYZJCXGPHVLTBF-WFASDCNBSA-N 2 1 250.361 2.298 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1Br ZINC000259037566 289257928 /nfs/dbraw/zinc/25/79/28/289257928.db2.gz PCONPIGPFXNXQV-NEPJUHHUSA-N 2 1 299.212 2.427 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000400519007 289287236 /nfs/dbraw/zinc/28/72/36/289287236.db2.gz GWKGPXCXZSKTQU-FRRDWIJNSA-N 2 1 278.396 2.352 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)c(OC)c1 ZINC000401768426 289288427 /nfs/dbraw/zinc/28/84/27/289288427.db2.gz MZEXUHLABHMVPQ-GFCCVEGCSA-N 2 1 289.379 2.331 20 0 CEADMP CC(C)CO[C@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)C1(C)C ZINC000401845838 289289086 /nfs/dbraw/zinc/28/90/86/289289086.db2.gz QLLKMGMQQKNAGP-CABCVRRESA-N 2 1 279.428 2.392 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](CCOCC2CCCC2)C1 ZINC000459337751 290120839 /nfs/dbraw/zinc/12/08/39/290120839.db2.gz FYQRMTPEXAJKJO-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCOCC2CCCC2)C1 ZINC000459337751 290120840 /nfs/dbraw/zinc/12/08/40/290120840.db2.gz FYQRMTPEXAJKJO-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000459380346 290131766 /nfs/dbraw/zinc/13/17/66/290131766.db2.gz BGVBIWJIYNDCMW-NVXWUHKLSA-N 2 1 285.391 2.330 20 0 CEADMP COC(=O)C[C@H]([NH2+]CCc1c[nH+]cn1C)C1CCCCC1 ZINC000459397434 290136680 /nfs/dbraw/zinc/13/66/80/290136680.db2.gz DPVLVDCEINMVID-HNNXBMFYSA-N 2 1 293.411 2.064 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1SC ZINC000459399120 290136823 /nfs/dbraw/zinc/13/68/23/290136823.db2.gz YLAAKKNDCUGLHG-QMIVOQANSA-N 2 1 284.469 2.112 20 0 CEADMP C[C@H]([NH2+]CCc1cncn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459411771 290140634 /nfs/dbraw/zinc/14/06/34/290140634.db2.gz UUKZEDXLCATCJC-LSDHHAIUSA-N 2 1 290.455 2.205 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459415278 290141370 /nfs/dbraw/zinc/14/13/70/290141370.db2.gz BLIYQBWHAVLOLS-LSDHHAIUSA-N 2 1 274.412 2.316 20 0 CEADMP CCc1cnccc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000459422295 290143957 /nfs/dbraw/zinc/14/39/57/290143957.db2.gz ZHLCHLSADHCPOV-LBPRGKRZSA-N 2 1 258.369 2.271 20 0 CEADMP C[C@](CO)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000459554940 290178025 /nfs/dbraw/zinc/17/80/25/290178025.db2.gz DTSFTAAQEBLVGW-GOSISDBHSA-N 2 1 288.435 2.153 20 0 CEADMP Cc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)nc1 ZINC000459600685 290191716 /nfs/dbraw/zinc/19/17/16/290191716.db2.gz UPCCUZHEEWYUMF-UHFFFAOYSA-N 2 1 259.397 2.149 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000459635419 290201431 /nfs/dbraw/zinc/20/14/31/290201431.db2.gz PZKLLYKBZCFTLF-ZQDZILKHSA-N 2 1 252.402 2.159 20 0 CEADMP Cn1cnc2cc(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)ccc21 ZINC000459731266 290219713 /nfs/dbraw/zinc/21/97/13/290219713.db2.gz LCNGYQFVLPEKIQ-CQSZACIVSA-N 2 1 286.423 2.395 20 0 CEADMP CO[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000459753149 290227295 /nfs/dbraw/zinc/22/72/95/290227295.db2.gz KKDDRLVEIIZUJN-QSPRXWTASA-N 2 1 296.455 2.033 20 0 CEADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000459754871 290228280 /nfs/dbraw/zinc/22/82/80/290228280.db2.gz FFEZDSCNVNDCQP-GUYCJALGSA-N 2 1 294.414 2.144 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C/C=C\c2ccncc2)C1 ZINC000459775931 290235611 /nfs/dbraw/zinc/23/56/11/290235611.db2.gz JPNJDVBZWSJCTD-OUMXJLHTSA-N 2 1 259.397 2.416 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000459796014 290242980 /nfs/dbraw/zinc/24/29/80/290242980.db2.gz VWRKCYSREFQMGH-CYBMUJFWSA-N 2 1 288.395 2.491 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000459797418 290244006 /nfs/dbraw/zinc/24/40/06/290244006.db2.gz WPZQALBSTVYKHW-LBPRGKRZSA-N 2 1 266.360 2.353 20 0 CEADMP C[C@@H]1C[C@H]1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000488313302 290389279 /nfs/dbraw/zinc/38/92/79/290389279.db2.gz LQQJKZRDNRCWQI-NCOADZHNSA-N 2 1 279.472 2.133 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000488408923 290395686 /nfs/dbraw/zinc/39/56/86/290395686.db2.gz GCKYALWVKLUEBB-ZIAGYGMSSA-N 2 1 274.474 2.074 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000488408918 290395719 /nfs/dbraw/zinc/39/57/19/290395719.db2.gz GCKYALWVKLUEBB-KGLIPLIRSA-N 2 1 274.474 2.074 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261588132 293651146 /nfs/dbraw/zinc/65/11/46/293651146.db2.gz JYCVCSRJCMPGOQ-DZGCQCFKSA-N 3 1 264.417 2.092 20 0 CEADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc2c[nH+]cn2c1 ZINC000530025457 298028056 /nfs/dbraw/zinc/02/80/56/298028056.db2.gz FFZYMCCNPSQBPQ-INIZCTEOSA-N 2 1 298.390 2.081 20 0 CEADMP C[NH2+]C1CC[NH+](C[C@H](Cc2ccc(F)cc2)OC)CC1 ZINC000530211506 298050803 /nfs/dbraw/zinc/05/08/03/298050803.db2.gz NVBFNWDYWZGKOU-INIZCTEOSA-N 2 1 280.387 2.067 20 0 CEADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000530221020 298055237 /nfs/dbraw/zinc/05/52/37/298055237.db2.gz VUCUGVAUFQJLSO-WBVHZDCISA-N 2 1 294.414 2.444 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1C ZINC000531965604 298126566 /nfs/dbraw/zinc/12/65/66/298126566.db2.gz DJEYXVGQBUUKRC-XHBSWPGZSA-N 2 1 278.444 2.338 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1C ZINC000531965604 298126570 /nfs/dbraw/zinc/12/65/70/298126570.db2.gz DJEYXVGQBUUKRC-XHBSWPGZSA-N 2 1 278.444 2.338 20 0 CEADMP CCC(CC)[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C1CC1 ZINC000532946608 298153788 /nfs/dbraw/zinc/15/37/88/298153788.db2.gz IZBWDLJTKLOACG-UHFFFAOYSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1ccnc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000534468391 298175146 /nfs/dbraw/zinc/17/51/46/298175146.db2.gz CCTDFZGCRPWPCR-UHFFFAOYSA-N 2 1 276.428 2.337 20 0 CEADMP Cc1ccnc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000534468391 298175148 /nfs/dbraw/zinc/17/51/48/298175148.db2.gz CCTDFZGCRPWPCR-UHFFFAOYSA-N 2 1 276.428 2.337 20 0 CEADMP C[C@@H]1C[C@H](C)[NH+](CC2(C[N@H+]3C[C@H](C)C[C@@H]3C)COC2)C1 ZINC000543860179 298312236 /nfs/dbraw/zinc/31/22/36/298312236.db2.gz RVPONRJOZQZGHG-WCVJEAGWSA-N 2 1 280.456 2.464 20 0 CEADMP Cc1cccc2c1cc[nH+]c2N1CCC([N@H+](C)CCO)CC1 ZINC000566675435 299014037 /nfs/dbraw/zinc/01/40/37/299014037.db2.gz NTDYHGKRHCDWAL-UHFFFAOYSA-N 2 1 299.418 2.436 20 0 CEADMP Cc1cccc2c1cc[nH+]c2N1CCC([N@@H+](C)CCO)CC1 ZINC000566675435 299014039 /nfs/dbraw/zinc/01/40/39/299014039.db2.gz NTDYHGKRHCDWAL-UHFFFAOYSA-N 2 1 299.418 2.436 20 0 CEADMP Cc1ncc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)n1C ZINC000566983972 299034141 /nfs/dbraw/zinc/03/41/41/299034141.db2.gz AZYFZPUAQYKRKE-BIBXISHDSA-N 2 1 291.420 2.317 20 0 CEADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CCCO2 ZINC000335553457 301211499 /nfs/dbraw/zinc/21/14/99/301211499.db2.gz WOZTZNFKRRMEJL-OAHLLOKOSA-N 2 1 260.381 2.326 20 0 CEADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)CC[NH+](C)C1CCCCC1 ZINC000514667158 313052835 /nfs/dbraw/zinc/05/28/35/313052835.db2.gz CFQAHBLGJMUKTC-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CN(C[C@H]1CCC[NH+]1C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000514667158 313052837 /nfs/dbraw/zinc/05/28/37/313052837.db2.gz CFQAHBLGJMUKTC-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CN(C[C@H]1CCC[NH+]1C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000514667158 313052839 /nfs/dbraw/zinc/05/28/39/313052839.db2.gz CFQAHBLGJMUKTC-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP OC1CC[NH+](CCC[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527644166 313190500 /nfs/dbraw/zinc/19/05/00/313190500.db2.gz GCTCGOFRBCSINS-UHFFFAOYSA-N 2 1 287.407 2.104 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCOC2)[C@@H](C)C1 ZINC000527929639 313216231 /nfs/dbraw/zinc/21/62/31/313216231.db2.gz QMBFWRSAYBEKLN-ZNMIVQPWSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+]2C2CCCC2)CC[N@H+]1C ZINC000528007662 313224027 /nfs/dbraw/zinc/22/40/27/313224027.db2.gz BPXAGQNDUYRZTH-FMKPAKJESA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+]2C2CCCC2)CC[NH+]1C ZINC000528007662 313224036 /nfs/dbraw/zinc/22/40/36/313224036.db2.gz BPXAGQNDUYRZTH-FMKPAKJESA-N 2 1 265.445 2.076 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000530227229 313285654 /nfs/dbraw/zinc/28/56/54/313285654.db2.gz WHRRHYGEWHVWLT-FRFSOERESA-N 2 1 294.414 2.300 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(F)(F)CC2)cc1 ZINC000530231512 313286277 /nfs/dbraw/zinc/28/62/77/313286277.db2.gz ILEZBTAMCPQGSO-CYBMUJFWSA-N 2 1 284.350 2.469 20 0 CEADMP CN1CCO[C@H](CSCC[N@@H+](C)Cc2ccccc2)C1 ZINC000569692752 314009733 /nfs/dbraw/zinc/00/97/33/314009733.db2.gz IEGBYFSGNUYJIM-INIZCTEOSA-N 2 1 294.464 2.182 20 0 CEADMP C[N@H+](CCSC[C@@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000569692752 314009735 /nfs/dbraw/zinc/00/97/35/314009735.db2.gz IEGBYFSGNUYJIM-INIZCTEOSA-N 2 1 294.464 2.182 20 0 CEADMP C[N@@H+](CCSC[C@@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000569692752 314009738 /nfs/dbraw/zinc/00/97/38/314009738.db2.gz IEGBYFSGNUYJIM-INIZCTEOSA-N 2 1 294.464 2.182 20 0 CEADMP C[NH+](CCSC[C@@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000569692752 314009742 /nfs/dbraw/zinc/00/97/42/314009742.db2.gz IEGBYFSGNUYJIM-INIZCTEOSA-N 2 1 294.464 2.182 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)CN(C)CC ZINC000570460755 314042755 /nfs/dbraw/zinc/04/27/55/314042755.db2.gz CXTZOOLQLKKTFC-IAGOWNOFSA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)CN(C)CC ZINC000570460755 314042758 /nfs/dbraw/zinc/04/27/58/314042758.db2.gz CXTZOOLQLKKTFC-IAGOWNOFSA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000570460755 314042762 /nfs/dbraw/zinc/04/27/62/314042762.db2.gz CXTZOOLQLKKTFC-IAGOWNOFSA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000570460755 314042765 /nfs/dbraw/zinc/04/27/65/314042765.db2.gz CXTZOOLQLKKTFC-IAGOWNOFSA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000570460755 314042768 /nfs/dbraw/zinc/04/27/68/314042768.db2.gz CXTZOOLQLKKTFC-IAGOWNOFSA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000570460755 314042771 /nfs/dbraw/zinc/04/27/71/314042771.db2.gz CXTZOOLQLKKTFC-IAGOWNOFSA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)CN(C)CC ZINC000570460756 314042890 /nfs/dbraw/zinc/04/28/90/314042890.db2.gz CXTZOOLQLKKTFC-IRXDYDNUSA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)CN(C)CC ZINC000570460756 314042892 /nfs/dbraw/zinc/04/28/92/314042892.db2.gz CXTZOOLQLKKTFC-IRXDYDNUSA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000570460756 314042894 /nfs/dbraw/zinc/04/28/94/314042894.db2.gz CXTZOOLQLKKTFC-IRXDYDNUSA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000570460756 314042895 /nfs/dbraw/zinc/04/28/95/314042895.db2.gz CXTZOOLQLKKTFC-IRXDYDNUSA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@H]1Cc2ccccc2C[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000570460756 314042897 /nfs/dbraw/zinc/04/28/97/314042897.db2.gz CXTZOOLQLKKTFC-IRXDYDNUSA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@H]1Cc2ccccc2C[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000570460756 314042898 /nfs/dbraw/zinc/04/28/98/314042898.db2.gz CXTZOOLQLKKTFC-IRXDYDNUSA-N 2 1 276.424 2.136 20 0 CEADMP CCc1ccc([C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)CC)C2)cc1 ZINC000571295416 314083683 /nfs/dbraw/zinc/08/36/83/314083683.db2.gz XKNDCOLSOLLSJY-QZTJIDSGSA-N 2 1 290.451 2.351 20 0 CEADMP CCc1ccc([C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)CC)C2)cc1 ZINC000571295416 314083687 /nfs/dbraw/zinc/08/36/87/314083687.db2.gz XKNDCOLSOLLSJY-QZTJIDSGSA-N 2 1 290.451 2.351 20 0 CEADMP CCc1ccc([C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)CC)C2)cc1 ZINC000571295416 314083692 /nfs/dbraw/zinc/08/36/92/314083692.db2.gz XKNDCOLSOLLSJY-QZTJIDSGSA-N 2 1 290.451 2.351 20 0 CEADMP C[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000571770227 314104753 /nfs/dbraw/zinc/10/47/53/314104753.db2.gz UXACXHGLVCWDQP-YQQAZPJKSA-N 2 1 276.424 2.258 20 0 CEADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000573912475 314181662 /nfs/dbraw/zinc/18/16/62/314181662.db2.gz VOEOSKNNFKJKPN-ZIAGYGMSSA-N 2 1 266.429 2.313 20 0 CEADMP Fc1ccc(/C=C\C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000573920142 314182780 /nfs/dbraw/zinc/18/27/80/314182780.db2.gz HJWYJUPDAPJXJJ-PGGLMVFNSA-N 2 1 260.356 2.380 20 0 CEADMP Fc1ccc(/C=C\C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000573920142 314182783 /nfs/dbraw/zinc/18/27/83/314182783.db2.gz HJWYJUPDAPJXJJ-PGGLMVFNSA-N 2 1 260.356 2.380 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@@H](C)O ZINC000574151942 314190913 /nfs/dbraw/zinc/19/09/13/314190913.db2.gz XXQQTKJOEXAXJA-UONOGXRCSA-N 2 1 264.413 2.386 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)c2nccn21 ZINC000575124081 314207301 /nfs/dbraw/zinc/20/73/01/314207301.db2.gz MYNIDBMRNIQKQG-SMDDNHRTSA-N 2 1 256.353 2.137 20 0 CEADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000576118381 314243762 /nfs/dbraw/zinc/24/37/62/314243762.db2.gz ILKWJKHUQOWHDK-ILXRZTDVSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000576357907 314268208 /nfs/dbraw/zinc/26/82/08/314268208.db2.gz UBEBLUGJPBWCKR-AWEZNQCLSA-N 2 1 289.423 2.071 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccn1)C1CC1 ZINC000576526621 314284358 /nfs/dbraw/zinc/28/43/58/314284358.db2.gz GXQBOPROMUAYAF-UHFFFAOYSA-N 2 1 270.380 2.412 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccn1)C1CC1 ZINC000576526621 314284360 /nfs/dbraw/zinc/28/43/60/314284360.db2.gz GXQBOPROMUAYAF-UHFFFAOYSA-N 2 1 270.380 2.412 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000576814728 314312813 /nfs/dbraw/zinc/31/28/13/314312813.db2.gz RUUKMQUOMBPZMR-QMTHXVAHSA-N 2 1 254.324 2.237 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cnc(C3CC3)s2)CC[NH2+]1 ZINC000576959579 314328615 /nfs/dbraw/zinc/32/86/15/314328615.db2.gz LNWFFARRMAKIFC-GXSJLCMTSA-N 2 1 251.399 2.251 20 0 CEADMP COc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)c(F)c1 ZINC000577068821 314338645 /nfs/dbraw/zinc/33/86/45/314338645.db2.gz ZWFVTDJETKHETM-UHFFFAOYSA-N 2 1 252.333 2.066 20 0 CEADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000577363062 314367936 /nfs/dbraw/zinc/36/79/36/314367936.db2.gz KYYUZGWNDQCHHZ-GJZGRUSLSA-N 3 1 255.450 2.275 20 0 CEADMP Cc1nc(C[NH2+]CCCCn2cc[nH+]c2C)[nH]c1C ZINC000579130076 314553146 /nfs/dbraw/zinc/55/31/46/314553146.db2.gz LKFWHKDJWNELEN-UHFFFAOYSA-N 2 1 261.373 2.101 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000580342028 322312739 /nfs/dbraw/zinc/31/27/39/322312739.db2.gz OZMGFOBILNCPKW-YPMHNXCESA-N 2 1 270.380 2.250 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000580342028 322312742 /nfs/dbraw/zinc/31/27/42/322312742.db2.gz OZMGFOBILNCPKW-YPMHNXCESA-N 2 1 270.380 2.250 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COc3cc(F)ccc3C2)CC[N@@H+]1C ZINC000580581239 322328755 /nfs/dbraw/zinc/32/87/55/322328755.db2.gz IDVKJNLZMFITKP-BYCMXARLSA-N 2 1 278.371 2.202 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COc3cc(F)ccc3C2)CC[N@H+]1C ZINC000580581239 322328758 /nfs/dbraw/zinc/32/87/58/322328758.db2.gz IDVKJNLZMFITKP-BYCMXARLSA-N 2 1 278.371 2.202 20 0 CEADMP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000581201318 322378068 /nfs/dbraw/zinc/37/80/68/322378068.db2.gz YFGCVZYPSSKMEG-AVGNSLFASA-N 2 1 277.416 2.096 20 0 CEADMP CC(C)[C@@H]([NH2+]CCCc1c[nH+]cn1C)C1(CO)CCC1 ZINC000581319262 322387247 /nfs/dbraw/zinc/38/72/47/322387247.db2.gz WBNASGWZLBODHV-OAHLLOKOSA-N 2 1 279.428 2.130 20 0 CEADMP COc1ccc2c(c1)CCC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000581360638 322389996 /nfs/dbraw/zinc/38/99/96/322389996.db2.gz QYYGXZRQUVBVLX-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP [NH3+]C[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CCCO1 ZINC000581778060 322423509 /nfs/dbraw/zinc/42/35/09/322423509.db2.gz KWJWSCPYQRWUMA-GFCCVEGCSA-N 2 1 291.782 2.442 20 0 CEADMP C[C@H]([NH3+])C1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000582231909 322456855 /nfs/dbraw/zinc/45/68/55/322456855.db2.gz PPDROIFBGIIKFU-ZDUSSCGKSA-N 2 1 289.427 2.031 20 0 CEADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000582481492 322475831 /nfs/dbraw/zinc/47/58/31/322475831.db2.gz KYWMREIMBRIYGQ-UKRRQHHQSA-N 2 1 275.396 2.054 20 0 CEADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000584300746 327229125 /nfs/dbraw/zinc/22/91/25/327229125.db2.gz ZCRJJWSVPVDVDS-CYBMUJFWSA-N 2 1 289.423 2.337 20 0 CEADMP CSc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)ccn1 ZINC000357841335 534168870 /nfs/dbraw/zinc/16/88/70/534168870.db2.gz PJKPJGJPTDRITB-AAEUAGOBSA-N 2 1 265.426 2.233 20 0 CEADMP CSc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)ccn1 ZINC000357841335 534168875 /nfs/dbraw/zinc/16/88/75/534168875.db2.gz PJKPJGJPTDRITB-AAEUAGOBSA-N 2 1 265.426 2.233 20 0 CEADMP CC(C)(C)OC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150787751 518783657 /nfs/dbraw/zinc/78/36/57/518783657.db2.gz RCVCAONNPJHTLX-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)(C)OC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150787751 518783662 /nfs/dbraw/zinc/78/36/62/518783662.db2.gz RCVCAONNPJHTLX-CQSZACIVSA-N 2 1 282.428 2.136 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000365052410 520607170 /nfs/dbraw/zinc/60/71/70/520607170.db2.gz ITNALQGMHCMKTP-AWEZNQCLSA-N 2 1 264.417 2.321 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000365052410 520607180 /nfs/dbraw/zinc/60/71/80/520607180.db2.gz ITNALQGMHCMKTP-AWEZNQCLSA-N 2 1 264.417 2.321 20 0 CEADMP COc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)cc(OC)c1 ZINC000049553533 522473490 /nfs/dbraw/zinc/47/34/90/522473490.db2.gz VAOGECDUXQSMDB-LBPRGKRZSA-N 2 1 266.385 2.134 20 0 CEADMP CC[C@@H](C[NH2+][C@H](C)CCn1cccn1)[NH+]1CCCC1 ZINC000157565783 522549879 /nfs/dbraw/zinc/54/98/79/522549879.db2.gz VBTAUSXKDNMVNX-CABCVRRESA-N 2 1 264.417 2.126 20 0 CEADMP C[N@@H+]1CC=C(CNc2cc[nH+]cc2-c2cccnc2)CC1 ZINC000367844023 523746058 /nfs/dbraw/zinc/74/60/58/523746058.db2.gz UQCIUZVFQCBXCU-UHFFFAOYSA-N 2 1 280.375 2.239 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2cccc3cnccc32)CC1 ZINC000061125107 523778247 /nfs/dbraw/zinc/77/82/47/523778247.db2.gz ITWBEHCIOGHYIB-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000367554972 523989265 /nfs/dbraw/zinc/98/92/65/523989265.db2.gz VQVCIGLZUHMQSP-PVAVHDDUSA-N 2 1 292.398 2.280 20 0 CEADMP C[NH+](C)CCC[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000363664335 524057682 /nfs/dbraw/zinc/05/76/82/524057682.db2.gz IWHPUTZKPGNMOA-CYBMUJFWSA-N 2 1 279.359 2.140 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccccc1F ZINC000358055599 524901311 /nfs/dbraw/zinc/90/13/11/524901311.db2.gz BXPAQALGZFIWML-TZMCWYRMSA-N 2 1 266.360 2.134 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccnc2)C[C@H](C)O1 ZINC000067452886 524941709 /nfs/dbraw/zinc/94/17/09/524941709.db2.gz PLAHHZZRWCVRCL-GASCZTMLSA-N 2 1 277.412 2.061 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCOCC[NH3+])C1 ZINC000357070991 525465778 /nfs/dbraw/zinc/46/57/78/525465778.db2.gz BJVHPPQFKXTIGA-IUODEOHRSA-N 2 1 266.360 2.184 20 0 CEADMP Cc1cccnc1C1(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000366048633 525505815 /nfs/dbraw/zinc/50/58/15/525505815.db2.gz YMNBXNKXFHMVAZ-UHFFFAOYSA-N 2 1 259.397 2.105 20 0 CEADMP c1cnn(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000363459796 526554538 /nfs/dbraw/zinc/55/45/38/526554538.db2.gz RSHTZSUIEBDRDT-MRXNPFEDSA-N 2 1 276.428 2.081 20 0 CEADMP c1cnn(CC[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000363459796 526554545 /nfs/dbraw/zinc/55/45/45/526554545.db2.gz RSHTZSUIEBDRDT-MRXNPFEDSA-N 2 1 276.428 2.081 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000183285913 527405486 /nfs/dbraw/zinc/40/54/86/527405486.db2.gz AUSKAFMZFQIVGB-OAHLLOKOSA-N 2 1 287.411 2.446 20 0 CEADMP Cc1ncsc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157922050 527490838 /nfs/dbraw/zinc/49/08/38/527490838.db2.gz PWJLLYIYUOUUKU-QWHCGFSZSA-N 2 1 265.426 2.210 20 0 CEADMP Cn1nccc1[C@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000363459193 527629733 /nfs/dbraw/zinc/62/97/33/527629733.db2.gz IDMSWWNZOBJEHE-HNNXBMFYSA-N 2 1 276.428 2.085 20 0 CEADMP CC(C)CNC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116397052 528052778 /nfs/dbraw/zinc/05/27/78/528052778.db2.gz CAFCZJNMXMKDMC-ZIAGYGMSSA-N 2 1 285.476 2.103 20 0 CEADMP CC(C)COC[C@H](O)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000121369892 528111915 /nfs/dbraw/zinc/11/19/15/528111915.db2.gz AZWOGQMQCAENNE-QGZVFWFLSA-N 2 1 298.471 2.017 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000442917222 528212118 /nfs/dbraw/zinc/21/21/18/528212118.db2.gz CTPUAWWSPMHTCH-GFCCVEGCSA-N 2 1 280.368 2.017 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCCC[NH+]1CCCC1 ZINC000357087698 528221299 /nfs/dbraw/zinc/22/12/99/528221299.db2.gz JAHXJWPOVOXKRH-MRXNPFEDSA-N 2 1 295.471 2.243 20 0 CEADMP CC(C)c1nc([C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)no1 ZINC000333496425 528318017 /nfs/dbraw/zinc/31/80/17/528318017.db2.gz DWZSBTLHQPIWAR-KGLIPLIRSA-N 2 1 292.427 2.372 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)CCC2(C)C)CC1 ZINC000411798503 528995812 /nfs/dbraw/zinc/99/58/12/528995812.db2.gz AALXGTRXTXTGIN-CQSZACIVSA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC([NH3+])(CC)CC ZINC000417710841 529200375 /nfs/dbraw/zinc/20/03/75/529200375.db2.gz XXQMSEFGYHNCLU-AWEZNQCLSA-N 2 1 298.475 2.068 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000168641564 529297796 /nfs/dbraw/zinc/29/77/96/529297796.db2.gz MRXFMPNWNHBKMX-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNc1cc(C)[nH+]c(N)n1 ZINC000733302415 574663322 /nfs/dbraw/zinc/66/33/22/574663322.db2.gz SWJNCTORMHJYIV-LBPRGKRZSA-N 2 1 263.389 2.044 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741722461 574665102 /nfs/dbraw/zinc/66/51/02/574665102.db2.gz HTYBSBPXBOFGSA-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741722461 574665105 /nfs/dbraw/zinc/66/51/05/574665105.db2.gz HTYBSBPXBOFGSA-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000741722461 574665106 /nfs/dbraw/zinc/66/51/06/574665106.db2.gz HTYBSBPXBOFGSA-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C(=O)CCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000741709316 574994756 /nfs/dbraw/zinc/99/47/56/574994756.db2.gz VSEWBGJLNITZKX-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)C(C)(C)C)C1 ZINC000753732781 575338205 /nfs/dbraw/zinc/33/82/05/575338205.db2.gz OFNLCTSIHLEVPA-CYBMUJFWSA-N 2 1 254.418 2.265 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)C(C)(C)C)C1 ZINC000753732781 575338208 /nfs/dbraw/zinc/33/82/08/575338208.db2.gz OFNLCTSIHLEVPA-CYBMUJFWSA-N 2 1 254.418 2.265 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)C(C)(C)C)C1 ZINC000753732781 575338211 /nfs/dbraw/zinc/33/82/11/575338211.db2.gz OFNLCTSIHLEVPA-CYBMUJFWSA-N 2 1 254.418 2.265 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)C(C)(C)C)C1 ZINC000753732781 575338213 /nfs/dbraw/zinc/33/82/13/575338213.db2.gz OFNLCTSIHLEVPA-CYBMUJFWSA-N 2 1 254.418 2.265 20 0 CEADMP CC(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000981458681 614030509 /nfs/dbraw/zinc/03/05/09/614030509.db2.gz DWCVDXMUKWRMGM-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000981458681 614030511 /nfs/dbraw/zinc/03/05/11/614030511.db2.gz DWCVDXMUKWRMGM-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000981458681 614030512 /nfs/dbraw/zinc/03/05/12/614030512.db2.gz DWCVDXMUKWRMGM-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000972479177 614275308 /nfs/dbraw/zinc/27/53/08/614275308.db2.gz SKFFPSZZWCGPPZ-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775841 614347804 /nfs/dbraw/zinc/34/78/04/614347804.db2.gz SOLBMCQBSORUBM-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000948775841 614347806 /nfs/dbraw/zinc/34/78/06/614347806.db2.gz SOLBMCQBSORUBM-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000948775841 614347807 /nfs/dbraw/zinc/34/78/07/614347807.db2.gz SOLBMCQBSORUBM-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC(C)C)C1 ZINC000971643219 614677373 /nfs/dbraw/zinc/67/73/73/614677373.db2.gz XKLUPNLQQPYONP-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(C)C)C1 ZINC000971643219 614677375 /nfs/dbraw/zinc/67/73/75/614677375.db2.gz XKLUPNLQQPYONP-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(C)C)C1 ZINC000971643219 614677377 /nfs/dbraw/zinc/67/73/77/614677377.db2.gz XKLUPNLQQPYONP-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC000960684700 614871273 /nfs/dbraw/zinc/87/12/73/614871273.db2.gz SFIRZAAUIOHJBF-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC000960684700 614871275 /nfs/dbraw/zinc/87/12/75/614871275.db2.gz SFIRZAAUIOHJBF-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC000960684700 614871277 /nfs/dbraw/zinc/87/12/77/614871277.db2.gz SFIRZAAUIOHJBF-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000981841823 614977245 /nfs/dbraw/zinc/97/72/45/614977245.db2.gz NQPAAXCJQDQAOA-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674057 615123500 /nfs/dbraw/zinc/12/35/00/615123500.db2.gz OEWLVJQPUOKGAJ-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000981953636 615439127 /nfs/dbraw/zinc/43/91/27/615439127.db2.gz QEWNGYXRRJQVPM-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000981953636 615439130 /nfs/dbraw/zinc/43/91/30/615439130.db2.gz QEWNGYXRRJQVPM-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000981953636 615439132 /nfs/dbraw/zinc/43/91/32/615439132.db2.gz QEWNGYXRRJQVPM-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1)[NH+](C)C ZINC000960707519 615601237 /nfs/dbraw/zinc/60/12/37/615601237.db2.gz HZZHUCXDBXNQCS-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CS[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000310298727 625450918 /nfs/dbraw/zinc/45/09/18/625450918.db2.gz TVGJBPIQQBZTQP-OCCSQVGLSA-N 2 1 254.443 2.487 20 0 CEADMP CS[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000310298726 625451550 /nfs/dbraw/zinc/45/15/50/625451550.db2.gz TVGJBPIQQBZTQP-JSGCOSHPSA-N 2 1 254.443 2.487 20 0 CEADMP c1cn2cc(C[NH2+]CCC[NH+]3CCCCC3)sc2n1 ZINC000892463251 625533462 /nfs/dbraw/zinc/53/34/62/625533462.db2.gz YSHNQGFRACGFPC-UHFFFAOYSA-N 2 1 278.425 2.361 20 0 CEADMP C[C@H](NCC(C)(C)[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261540235 623361692 /nfs/dbraw/zinc/36/16/92/623361692.db2.gz DVQQMKOPUROWRW-GOEBONIOSA-N 2 1 275.440 2.224 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308362902 623674188 /nfs/dbraw/zinc/67/41/88/623674188.db2.gz IDERPVXDOATZLA-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308362902 623674191 /nfs/dbraw/zinc/67/41/91/623674191.db2.gz IDERPVXDOATZLA-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001022201987 623833338 /nfs/dbraw/zinc/83/33/38/623833338.db2.gz PIVGXPSKZMGPNH-IJEWVQPXSA-N 2 1 293.455 2.039 20 0 CEADMP CCC(CC)[C@@H](CNc1nc(N)cc(C)[nH+]1)[NH+](C)C ZINC000891681235 623895272 /nfs/dbraw/zinc/89/52/72/623895272.db2.gz SDBBUNPBWMDTKV-GFCCVEGCSA-N 2 1 265.405 2.146 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCC4(CCC4)O3)C[C@]2(C)C1 ZINC000933732440 623981950 /nfs/dbraw/zinc/98/19/50/623981950.db2.gz JKSVLLJKJUINFU-PMPSAXMXSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCCC4(CCC4)O3)C[C@]2(C)C1 ZINC000933732440 623981953 /nfs/dbraw/zinc/98/19/53/623981953.db2.gz JKSVLLJKJUINFU-PMPSAXMXSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCCC4(CCC4)O3)C[C@]2(C)C1 ZINC000933732440 623981956 /nfs/dbraw/zinc/98/19/56/623981956.db2.gz JKSVLLJKJUINFU-PMPSAXMXSA-N 2 1 278.440 2.362 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CCCO1 ZINC000926287861 624081085 /nfs/dbraw/zinc/08/10/85/624081085.db2.gz QOZPDVQPDIIOQS-NXOAAHMSSA-N 2 1 278.440 2.432 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CCCO1 ZINC000926287861 624081093 /nfs/dbraw/zinc/08/10/93/624081093.db2.gz QOZPDVQPDIIOQS-NXOAAHMSSA-N 2 1 278.440 2.432 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000892230013 624439964 /nfs/dbraw/zinc/43/99/64/624439964.db2.gz VGOQROPXENQCJG-GXTWGEPZSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000892230013 624439971 /nfs/dbraw/zinc/43/99/71/624439971.db2.gz VGOQROPXENQCJG-GXTWGEPZSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)o1 ZINC000892230013 624439976 /nfs/dbraw/zinc/43/99/76/624439976.db2.gz VGOQROPXENQCJG-GXTWGEPZSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)o1 ZINC000892230013 624439978 /nfs/dbraw/zinc/43/99/78/624439978.db2.gz VGOQROPXENQCJG-GXTWGEPZSA-N 2 1 264.369 2.204 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC)C1 ZINC001022958665 624794907 /nfs/dbraw/zinc/79/49/07/624794907.db2.gz RWJSBNQBLJAIPL-OWCLPIDISA-N 2 1 295.471 2.288 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934829621 624835565 /nfs/dbraw/zinc/83/55/65/624835565.db2.gz AYJOISIEVSDMGX-CVEARBPZSA-N 2 1 291.439 2.491 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934829621 624835572 /nfs/dbraw/zinc/83/55/72/624835572.db2.gz AYJOISIEVSDMGX-CVEARBPZSA-N 2 1 291.439 2.491 20 0 CEADMP C[NH+](C)[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])c1cccs1 ZINC000250367987 625085480 /nfs/dbraw/zinc/08/54/80/625085480.db2.gz ZLMGBTZAIXPGEQ-BFHYXJOUSA-N 2 1 281.469 2.458 20 0 CEADMP C[C@H]1CC2(CC([NH2+]CC[C@@H]3CCC[N@@H+](C)C3)C2)CO1 ZINC000926571832 625136512 /nfs/dbraw/zinc/13/65/12/625136512.db2.gz DLHQDOZJGPWDAO-FXQLRMTLSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)ccc2NC)C1 ZINC000902078404 634452055 /nfs/dbraw/zinc/45/20/55/634452055.db2.gz LECPGPMNSBSJFZ-AWEZNQCLSA-N 2 1 261.413 2.468 20 0 CEADMP CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001024984585 625937872 /nfs/dbraw/zinc/93/78/72/625937872.db2.gz HIEWTPMCDSWLTH-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC(=O)OC[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000892584399 627290654 /nfs/dbraw/zinc/29/06/54/627290654.db2.gz KAGSNEYQVBTHBL-KGLIPLIRSA-N 2 1 270.417 2.040 20 0 CEADMP C[C@]1(Br)C[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000892608990 627307194 /nfs/dbraw/zinc/30/71/94/627307194.db2.gz SZOWAGYHUSXCAV-VOAKCMCISA-N 2 1 287.245 2.376 20 0 CEADMP Cn1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C1CC1 ZINC000892608602 627307742 /nfs/dbraw/zinc/30/77/42/627307742.db2.gz RKIFEASWORKMGN-CABCVRRESA-N 2 1 274.412 2.014 20 0 CEADMP Cn1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C1CC1 ZINC000892608602 627307744 /nfs/dbraw/zinc/30/77/44/627307744.db2.gz RKIFEASWORKMGN-CABCVRRESA-N 2 1 274.412 2.014 20 0 CEADMP C[C@H](c1ccccc1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000311254435 627396022 /nfs/dbraw/zinc/39/60/22/627396022.db2.gz VHYWCENDSVKGCX-ZBFHGGJFSA-N 2 1 262.397 2.136 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000311254435 627396026 /nfs/dbraw/zinc/39/60/26/627396026.db2.gz VHYWCENDSVKGCX-ZBFHGGJFSA-N 2 1 262.397 2.136 20 0 CEADMP C[N@@H+](Cc1ccc(O)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394168493 627662537 /nfs/dbraw/zinc/66/25/37/627662537.db2.gz POAPISVKSKSQIG-YIONKMFJSA-N 2 1 260.381 2.449 20 0 CEADMP C[NH+](Cc1ccc(O)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394168493 627662540 /nfs/dbraw/zinc/66/25/40/627662540.db2.gz POAPISVKSKSQIG-YIONKMFJSA-N 2 1 260.381 2.449 20 0 CEADMP C[NH+](Cc1ccc(O)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394168493 627662542 /nfs/dbraw/zinc/66/25/42/627662542.db2.gz POAPISVKSKSQIG-YIONKMFJSA-N 2 1 260.381 2.449 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902335897 634597505 /nfs/dbraw/zinc/59/75/05/634597505.db2.gz CPBQCTQLMDYESQ-LSDHHAIUSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H]1CCCCN1CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902335897 634597507 /nfs/dbraw/zinc/59/75/07/634597507.db2.gz CPBQCTQLMDYESQ-LSDHHAIUSA-N 2 1 267.461 2.229 20 0 CEADMP CC(C)C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)N(C)C ZINC000902335930 634597177 /nfs/dbraw/zinc/59/71/77/634597177.db2.gz LGRZXJNDRABNKE-CABCVRRESA-N 2 1 269.477 2.331 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000926840556 627738915 /nfs/dbraw/zinc/73/89/15/627738915.db2.gz GPWHVVWKFOMQPX-MBOZISHXSA-N 2 1 266.429 2.121 20 0 CEADMP CCNC(=[NH2+])NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309637424 627744534 /nfs/dbraw/zinc/74/45/34/627744534.db2.gz AGZSGOKUAKNYGX-MRXNPFEDSA-N 2 1 274.412 2.032 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)nc1 ZINC000892944350 627874462 /nfs/dbraw/zinc/87/44/62/627874462.db2.gz PCHPGKUFLXJMDX-CQSZACIVSA-N 2 1 277.412 2.300 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)nc1 ZINC000892944350 627874465 /nfs/dbraw/zinc/87/44/65/627874465.db2.gz PCHPGKUFLXJMDX-CQSZACIVSA-N 2 1 277.412 2.300 20 0 CEADMP CC(C)CC(=O)CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852762830 627887069 /nfs/dbraw/zinc/88/70/69/627887069.db2.gz XNQFMRFDOGYYCS-INIZCTEOSA-N 2 1 284.444 2.034 20 0 CEADMP CC(C)CC(=O)CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852762830 627887072 /nfs/dbraw/zinc/88/70/72/627887072.db2.gz XNQFMRFDOGYYCS-INIZCTEOSA-N 2 1 284.444 2.034 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358981 634614816 /nfs/dbraw/zinc/61/48/16/634614816.db2.gz APELTGZFLDUKKQ-UKRRQHHQSA-N 3 1 278.444 2.195 20 0 CEADMP COc1ccccc1[C@@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360619 634616218 /nfs/dbraw/zinc/61/62/18/634616218.db2.gz HZSYLOSWYSUEKK-UKRRQHHQSA-N 2 1 292.423 2.096 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925509409 628031018 /nfs/dbraw/zinc/03/10/18/628031018.db2.gz NACWLGUUWSILAG-IKGGRYGDSA-N 2 1 279.472 2.229 20 0 CEADMP CCN1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925509409 628031023 /nfs/dbraw/zinc/03/10/23/628031023.db2.gz NACWLGUUWSILAG-IKGGRYGDSA-N 2 1 279.472 2.229 20 0 CEADMP C1CC1N1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925512717 628046670 /nfs/dbraw/zinc/04/66/70/628046670.db2.gz BJIQTDVYUZXRAL-MSOLQXFVSA-N 2 1 291.483 2.371 20 0 CEADMP C[C@H](CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000725888530 628077176 /nfs/dbraw/zinc/07/71/76/628077176.db2.gz JDGUNKFLQWTALH-QKPAOTATSA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@](O)(C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C(F)(F)F ZINC000930602177 628134162 /nfs/dbraw/zinc/13/41/62/628134162.db2.gz MUYINUSHHMHELO-OLZOCXBDSA-N 2 1 294.361 2.108 20 0 CEADMP CC[C@](O)(C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C(F)(F)F ZINC000930602177 628134165 /nfs/dbraw/zinc/13/41/65/628134165.db2.gz MUYINUSHHMHELO-OLZOCXBDSA-N 2 1 294.361 2.108 20 0 CEADMP CC[C@](O)(C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)C(F)(F)F ZINC000930602177 628134168 /nfs/dbraw/zinc/13/41/68/628134168.db2.gz MUYINUSHHMHELO-OLZOCXBDSA-N 2 1 294.361 2.108 20 0 CEADMP CC[C@](O)(C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)C(F)(F)F ZINC000930602177 628134171 /nfs/dbraw/zinc/13/41/71/628134171.db2.gz MUYINUSHHMHELO-OLZOCXBDSA-N 2 1 294.361 2.108 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000902397003 634635143 /nfs/dbraw/zinc/63/51/43/634635143.db2.gz LQZSENNPHIVQOH-DLBZAZTESA-N 3 1 289.467 2.314 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925547321 628187354 /nfs/dbraw/zinc/18/73/54/628187354.db2.gz NJEWKOUBYVGPJC-ZWKOTPCHSA-N 2 1 293.499 2.476 20 0 CEADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925549220 628193499 /nfs/dbraw/zinc/19/34/99/628193499.db2.gz VTISQIZAKALYHS-OAHLLOKOSA-N 2 1 274.408 2.457 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902391897 634631822 /nfs/dbraw/zinc/63/18/22/634631822.db2.gz IRVMCNHWDFSDJI-KBPBESRZSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(-n2ccnc2)cc1 ZINC000902415242 634641637 /nfs/dbraw/zinc/64/16/37/634641637.db2.gz MAWFYBAOXYMTSF-GFCCVEGCSA-N 2 1 256.353 2.014 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCON)cc1 ZINC000902416703 634642615 /nfs/dbraw/zinc/64/26/15/634642615.db2.gz CWMCDIZKSVXJAN-LBPRGKRZSA-N 2 1 274.368 2.112 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925613137 628295979 /nfs/dbraw/zinc/29/59/79/628295979.db2.gz QBUZHXFQUPYBGP-QLFBSQMISA-N 2 1 267.461 2.214 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925613137 628295980 /nfs/dbraw/zinc/29/59/80/628295980.db2.gz QBUZHXFQUPYBGP-QLFBSQMISA-N 3 1 267.461 2.214 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925613137 628295983 /nfs/dbraw/zinc/29/59/83/628295983.db2.gz QBUZHXFQUPYBGP-QLFBSQMISA-N 3 1 267.461 2.214 20 0 CEADMP C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925618306 628306847 /nfs/dbraw/zinc/30/68/47/628306847.db2.gz ZCQDISOJZXGLCF-YRGRVCCFSA-N 2 1 280.437 2.434 20 0 CEADMP COc1ccccc1[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925621100 628312210 /nfs/dbraw/zinc/31/22/10/628312210.db2.gz YYBHHGNKBGHFDQ-YDHLFZDLSA-N 2 1 292.423 2.224 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CCC(C)(C)CO1 ZINC000902428714 634649168 /nfs/dbraw/zinc/64/91/68/634649168.db2.gz HAAPOFSUMMOTBK-BFHYXJOUSA-N 2 1 254.418 2.312 20 0 CEADMP CC(C)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(F)(F)F ZINC000925666144 628382845 /nfs/dbraw/zinc/38/28/45/628382845.db2.gz OEWSPVYIZBDEJS-OGBGREFGSA-N 2 1 262.319 2.161 20 0 CEADMP C[C@@H]([NH3+])[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000925688608 628498128 /nfs/dbraw/zinc/49/81/28/628498128.db2.gz FHDBVAXLYNOOSD-DNUGQZQRSA-N 2 1 273.424 2.290 20 0 CEADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCNC1CCCCCC1 ZINC000925699357 628535596 /nfs/dbraw/zinc/53/55/96/628535596.db2.gz OHTZVKUZGHECAT-KWOWKCNFSA-N 2 1 279.472 2.404 20 0 CEADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1([NH3+])CC1)CC3 ZINC000902414586 634662908 /nfs/dbraw/zinc/66/29/08/634662908.db2.gz XVYKSRMAUHPGIA-LBPRGKRZSA-N 2 1 269.392 2.415 20 0 CEADMP COCC1(CC[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925707721 628554331 /nfs/dbraw/zinc/55/43/31/628554331.db2.gz QXSFCFWDJQUSQK-HIFRSBDPSA-N 2 1 262.397 2.481 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C12CCCC2 ZINC000902473914 634665221 /nfs/dbraw/zinc/66/52/21/634665221.db2.gz AMUDCFRAOBRCLS-XLWJZTARSA-N 2 1 264.413 2.207 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC4(CCCC4)O3)C[C@@H]2C1 ZINC000931435188 628578836 /nfs/dbraw/zinc/57/88/36/628578836.db2.gz AAOONOHDUSJMDY-OWCLPIDISA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC4(CCCC4)O3)C[C@@H]2C1 ZINC000931435188 628578839 /nfs/dbraw/zinc/57/88/39/628578839.db2.gz AAOONOHDUSJMDY-OWCLPIDISA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC4(CCCC4)O3)C[C@@H]2C1 ZINC000931435188 628578844 /nfs/dbraw/zinc/57/88/44/628578844.db2.gz AAOONOHDUSJMDY-OWCLPIDISA-N 2 1 278.440 2.362 20 0 CEADMP C[C@@H]([NH2+]C1CCS(=O)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488189 628649754 /nfs/dbraw/zinc/64/97/54/628649754.db2.gz PSEUTAOQBOFJIB-LDJSJTNNSA-N 2 1 298.496 2.140 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(N3CCC[C@H]([NH+](C)C)CC3)c12 ZINC000893492911 628651835 /nfs/dbraw/zinc/65/18/35/628651835.db2.gz UPPSCKOOHISSSS-ZDUSSCGKSA-N 2 1 287.411 2.441 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cn(C)nc2C(C)(C)C)C[C@H]1C[NH3+] ZINC000253192325 628652434 /nfs/dbraw/zinc/65/24/34/628652434.db2.gz NBJZCMONFHZJDF-QWHCGFSZSA-N 2 1 278.444 2.134 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC2(C)C)C12CCCC2 ZINC000902450452 634672816 /nfs/dbraw/zinc/67/28/16/634672816.db2.gz SEQLHAIGFQRTOK-MGPQQGTHSA-N 2 1 266.429 2.312 20 0 CEADMP Cc1ccccc1OCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874050 628726350 /nfs/dbraw/zinc/72/63/50/628726350.db2.gz LUNDISGZDWXEDY-UHFFFAOYSA-N 2 1 250.386 2.291 20 0 CEADMP CCOc1ccc(CC[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC000258997974 628787392 /nfs/dbraw/zinc/78/73/92/628787392.db2.gz WKFFEDDTNSVKHH-HNNXBMFYSA-N 2 1 262.397 2.169 20 0 CEADMP COc1ncc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000925782775 628812817 /nfs/dbraw/zinc/81/28/17/628812817.db2.gz ALNFRPSEJSPJLM-FOGDFJRCSA-N 2 1 283.803 2.250 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000094370891 628834281 /nfs/dbraw/zinc/83/42/81/628834281.db2.gz AUOAFOSYTRXEJG-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCc1ccns1 ZINC000931765559 628839756 /nfs/dbraw/zinc/83/97/56/628839756.db2.gz YAUHLFZYUDFCGR-ZDUSSCGKSA-N 2 1 288.420 2.291 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1)[C@@H]1CCC[NH2+]1 ZINC000925805393 628855698 /nfs/dbraw/zinc/85/56/98/628855698.db2.gz ICRMWHPVVYHEQE-BJDJZHNGSA-N 2 1 280.334 2.217 20 0 CEADMP OCc1c[nH+]ccc1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000893661753 628902061 /nfs/dbraw/zinc/90/20/61/628902061.db2.gz ODXOGGVWMRPQBP-MRXNPFEDSA-N 2 1 289.423 2.205 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000261527433 628921571 /nfs/dbraw/zinc/92/15/71/628921571.db2.gz BBUKPLVPPKEUTA-DTWKUNHWSA-N 2 1 257.175 2.274 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000261527432 628921734 /nfs/dbraw/zinc/92/17/34/628921734.db2.gz BBUKPLVPPKEUTA-BDAKNGLRSA-N 2 1 257.175 2.274 20 0 CEADMP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)O1 ZINC000925833898 628929173 /nfs/dbraw/zinc/92/91/73/628929173.db2.gz LLNQCRMZFYCXLH-WOPDTQHZSA-N 2 1 292.345 2.361 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000261590569 628943077 /nfs/dbraw/zinc/94/30/77/628943077.db2.gz LJFBBMNENUYMGO-PWSUYJOCSA-N 2 1 270.323 2.376 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1NC1CCC(C)([NH+]2CCC2)CC1 ZINC000925860923 628961921 /nfs/dbraw/zinc/96/19/21/628961921.db2.gz MEDLJMDPEYLXBN-NPCAHTBFSA-N 2 1 265.445 2.124 20 0 CEADMP Cn1nc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925874875 628974387 /nfs/dbraw/zinc/97/43/87/628974387.db2.gz WBNFKLPCUZANKE-OWCLPIDISA-N 2 1 288.439 2.308 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCCO4)C[C@@H]2C1 ZINC000894082587 629113550 /nfs/dbraw/zinc/11/35/50/629113550.db2.gz GCALBJLXNWFLLM-IYBDPMFKSA-N 2 1 272.392 2.005 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCCO4)C[C@@H]2C1 ZINC000894082587 629113552 /nfs/dbraw/zinc/11/35/52/629113552.db2.gz GCALBJLXNWFLLM-IYBDPMFKSA-N 2 1 272.392 2.005 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCCO4)C[C@@H]2C1 ZINC000894082587 629113554 /nfs/dbraw/zinc/11/35/54/629113554.db2.gz GCALBJLXNWFLLM-IYBDPMFKSA-N 2 1 272.392 2.005 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCCO4)C[C@@H]2C1 ZINC000894082587 629113557 /nfs/dbraw/zinc/11/35/57/629113557.db2.gz GCALBJLXNWFLLM-IYBDPMFKSA-N 2 1 272.392 2.005 20 0 CEADMP COCc1c(C)cc(C)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000894098321 629124710 /nfs/dbraw/zinc/12/47/10/629124710.db2.gz XYWJBYDUWNMHGT-IYBDPMFKSA-N 2 1 288.435 2.409 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)CC[NH2+]C1 ZINC000261774899 629190262 /nfs/dbraw/zinc/19/02/62/629190262.db2.gz NBPIXALLVHXBDX-QZTJIDSGSA-N 2 1 288.435 2.012 20 0 CEADMP Cc1noc2ncc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc12 ZINC000894188391 629198773 /nfs/dbraw/zinc/19/87/73/629198773.db2.gz XAZHTJGKNCXLIV-UONOGXRCSA-N 2 1 286.379 2.248 20 0 CEADMP Cc1noc2ncc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc12 ZINC000894188391 629198776 /nfs/dbraw/zinc/19/87/76/629198776.db2.gz XAZHTJGKNCXLIV-UONOGXRCSA-N 2 1 286.379 2.248 20 0 CEADMP Cc1noc2ncc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc12 ZINC000894188391 629198777 /nfs/dbraw/zinc/19/87/77/629198777.db2.gz XAZHTJGKNCXLIV-UONOGXRCSA-N 2 1 286.379 2.248 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000924916938 629252582 /nfs/dbraw/zinc/25/25/82/629252582.db2.gz NNIALMCOMZXUKR-JYJNAYRXSA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924916938 629252586 /nfs/dbraw/zinc/25/25/86/629252586.db2.gz NNIALMCOMZXUKR-JYJNAYRXSA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924916938 629252587 /nfs/dbraw/zinc/25/25/87/629252587.db2.gz NNIALMCOMZXUKR-JYJNAYRXSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261816128 629255258 /nfs/dbraw/zinc/25/52/58/629255258.db2.gz STFVDRZAXIIPCP-BBRMVZONSA-N 2 1 293.842 2.381 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CO[C@@H](C)[C@@H]2C)C1 ZINC000924961564 629299466 /nfs/dbraw/zinc/29/94/66/629299466.db2.gz WNUFDBSCFVQJJR-AJNGGQMLSA-N 2 1 254.418 2.120 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CO[C@@H](C)[C@H]2C)C1 ZINC000924961570 629299512 /nfs/dbraw/zinc/29/95/12/629299512.db2.gz WNUFDBSCFVQJJR-BARDWOONSA-N 2 1 254.418 2.120 20 0 CEADMP CCNc1ccccc1CNC1(CCO)CC[NH+](C)CC1 ZINC000902603904 634740983 /nfs/dbraw/zinc/74/09/83/634740983.db2.gz IHUGSMVUZMDKBY-UHFFFAOYSA-N 2 1 291.439 2.055 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)CC1 ZINC000894561805 629532504 /nfs/dbraw/zinc/53/25/04/629532504.db2.gz YWEURQYLHZRRCZ-AWEZNQCLSA-N 2 1 282.819 2.125 20 0 CEADMP C[NH+]1CCC(CN2CC[N@@H+](C)Cc3ccccc32)CC1 ZINC000894602933 629549571 /nfs/dbraw/zinc/54/95/71/629549571.db2.gz YJXJPJUIHCPVRR-UHFFFAOYSA-N 2 1 273.424 2.280 20 0 CEADMP C[C@@H]1C[N@H+](C/C=C/Cl)CCN1c1cc[nH+]cc1 ZINC000880263673 629632555 /nfs/dbraw/zinc/63/25/55/629632555.db2.gz ZWCNBLZWVKJJBD-ROLFPQFPSA-N 2 1 251.761 2.345 20 0 CEADMP C[C@@H]1C[N@@H+](C/C=C/Cl)CCN1c1cc[nH+]cc1 ZINC000880263673 629632558 /nfs/dbraw/zinc/63/25/58/629632558.db2.gz ZWCNBLZWVKJJBD-ROLFPQFPSA-N 2 1 251.761 2.345 20 0 CEADMP Cc1ncoc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000894779569 629635629 /nfs/dbraw/zinc/63/56/29/629635629.db2.gz IRFXXWWJVOPVRD-AWEZNQCLSA-N 2 1 263.385 2.147 20 0 CEADMP C[NH+]1CCC(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)CC1 ZINC000894899915 629741127 /nfs/dbraw/zinc/74/11/27/629741127.db2.gz CLJOWRQUEZYITM-DLBZAZTESA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+](C)C1(C)CCC(Nc2nccn3c[nH+]cc23)CC1 ZINC000895002953 629788291 /nfs/dbraw/zinc/78/82/91/629788291.db2.gz PTIOIQOBEVRDHZ-UHFFFAOYSA-N 2 1 273.384 2.404 20 0 CEADMP c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc2c1OCC2 ZINC000262117351 629884403 /nfs/dbraw/zinc/88/44/03/629884403.db2.gz WYUVCGTWKJEEQZ-UHFFFAOYSA-N 2 1 272.392 2.197 20 0 CEADMP C[N@H+](C[C@H](O)c1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796458976 629909750 /nfs/dbraw/zinc/90/97/50/629909750.db2.gz ODOAWFHKJWIJMM-WFVVYAPDSA-N 2 1 292.398 2.416 20 0 CEADMP C[N@@H+](C[C@H](O)c1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796458976 629909755 /nfs/dbraw/zinc/90/97/55/629909755.db2.gz ODOAWFHKJWIJMM-WFVVYAPDSA-N 2 1 292.398 2.416 20 0 CEADMP C[NH+](C[C@H](O)c1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796458976 629909759 /nfs/dbraw/zinc/90/97/59/629909759.db2.gz ODOAWFHKJWIJMM-WFVVYAPDSA-N 2 1 292.398 2.416 20 0 CEADMP C[NH+](C[C@H](O)c1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796458976 629909763 /nfs/dbraw/zinc/90/97/63/629909763.db2.gz ODOAWFHKJWIJMM-WFVVYAPDSA-N 2 1 292.398 2.416 20 0 CEADMP CC(C)O[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000895145242 629956833 /nfs/dbraw/zinc/95/68/33/629956833.db2.gz SZFZVPJCPZKXCV-HNNXBMFYSA-N 2 1 254.418 2.218 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)o1 ZINC000796782357 630003935 /nfs/dbraw/zinc/00/39/35/630003935.db2.gz ZYHMUYZNUQSKTE-APIJFGDWSA-N 2 1 278.396 2.084 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)n2)[C@@H]2CCC[C@@H]21 ZINC000796837099 630028571 /nfs/dbraw/zinc/02/85/71/630028571.db2.gz NLTFLBPBVZWGMA-IHRRRGAJSA-N 2 1 263.360 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)n2)[C@@H]2CCC[C@@H]21 ZINC000796837099 630028575 /nfs/dbraw/zinc/02/85/75/630028575.db2.gz NLTFLBPBVZWGMA-IHRRRGAJSA-N 2 1 263.360 2.183 20 0 CEADMP C[C@@H](CC[NH2+]Cc1c(C2CCC2)cnn1C)[NH+](C)C ZINC000895291658 630081085 /nfs/dbraw/zinc/08/10/85/630081085.db2.gz HYKCEPKBUGRRFB-LBPRGKRZSA-N 2 1 264.417 2.117 20 0 CEADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895378648 630150011 /nfs/dbraw/zinc/15/00/11/630150011.db2.gz RJXAYHQYKOHWGZ-XJKSGUPXSA-N 2 1 278.444 2.281 20 0 CEADMP Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895378648 630150015 /nfs/dbraw/zinc/15/00/15/630150015.db2.gz RJXAYHQYKOHWGZ-XJKSGUPXSA-N 2 1 278.444 2.281 20 0 CEADMP COc1ccc(CNC[C@H]2CCCC[N@@H+](C)C2)o1 ZINC000895587382 630261964 /nfs/dbraw/zinc/26/19/64/630261964.db2.gz QLCMVUXJXBSEEP-GFCCVEGCSA-N 2 1 252.358 2.110 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000895937377 630411879 /nfs/dbraw/zinc/41/18/79/630411879.db2.gz PYUNAYIUAVRAIC-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCC(C)CC1 ZINC000895937377 630411882 /nfs/dbraw/zinc/41/18/82/630411882.db2.gz PYUNAYIUAVRAIC-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CCO[C@@H](CNc1[nH+]c2ccc(F)cc2n1C)C[NH+](C)C ZINC000896114271 630467837 /nfs/dbraw/zinc/46/78/37/630467837.db2.gz XLKOVVTUSJYPAS-LBPRGKRZSA-N 2 1 294.374 2.091 20 0 CEADMP CO[C@@](C)(C[NH2+][C@H](CCN(C)C)c1cccnc1)C1CC1 ZINC000896720313 630644478 /nfs/dbraw/zinc/64/44/78/630644478.db2.gz HUUQYIFESQFQEQ-SJORKVTESA-N 2 1 291.439 2.479 20 0 CEADMP CCO[C@@H](C[NH2+]C[C@H](C)Cc1ccccc1)C[NH+](C)C ZINC000896880534 630699516 /nfs/dbraw/zinc/69/95/16/630699516.db2.gz XBFNEMZFNUFWQW-WBVHZDCISA-N 2 1 278.440 2.422 20 0 CEADMP CCc1nnc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000799176744 630991931 /nfs/dbraw/zinc/99/19/31/630991931.db2.gz BBQKIAWFOGOQIT-UHFFFAOYSA-N 2 1 294.468 2.408 20 0 CEADMP CCc1nnc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000799176744 630991933 /nfs/dbraw/zinc/99/19/33/630991933.db2.gz BBQKIAWFOGOQIT-UHFFFAOYSA-N 2 1 294.468 2.408 20 0 CEADMP CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000985458311 631089335 /nfs/dbraw/zinc/08/93/35/631089335.db2.gz BPBJPUMGJCUEKM-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000985458311 631089339 /nfs/dbraw/zinc/08/93/39/631089339.db2.gz BPBJPUMGJCUEKM-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000985458311 631089341 /nfs/dbraw/zinc/08/93/41/631089341.db2.gz BPBJPUMGJCUEKM-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000985686609 631173205 /nfs/dbraw/zinc/17/32/05/631173205.db2.gz PZPAIOMNHZUAHH-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000985686609 631173206 /nfs/dbraw/zinc/17/32/06/631173206.db2.gz PZPAIOMNHZUAHH-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000985686609 631173209 /nfs/dbraw/zinc/17/32/09/631173209.db2.gz PZPAIOMNHZUAHH-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420976 635633390 /nfs/dbraw/zinc/63/33/90/635633390.db2.gz KHEABRVJTRMODS-LSDHHAIUSA-N 2 1 260.381 2.127 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@]3(C)Br)C[C@]2(C)C1 ZINC000897620482 631830208 /nfs/dbraw/zinc/83/02/08/631830208.db2.gz PREGFZBJDAYMQC-RNJOBUHISA-N 2 1 287.245 2.043 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@]3(C)Br)C[C@]2(C)C1 ZINC000897620482 631830216 /nfs/dbraw/zinc/83/02/16/631830216.db2.gz PREGFZBJDAYMQC-RNJOBUHISA-N 2 1 287.245 2.043 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3C[C@]3(C)Br)C[C@]2(C)C1 ZINC000897620482 631830221 /nfs/dbraw/zinc/83/02/21/631830221.db2.gz PREGFZBJDAYMQC-RNJOBUHISA-N 2 1 287.245 2.043 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3C[C@]3(C)Br)C[C@]2(C)C1 ZINC000897620482 631830226 /nfs/dbraw/zinc/83/02/26/631830226.db2.gz PREGFZBJDAYMQC-RNJOBUHISA-N 2 1 287.245 2.043 20 0 CEADMP C[N@H+]1C[C@@H]2CN(Cc3ccc4c(c3)CCCO4)C[C@]2(C)C1 ZINC000897620744 631833658 /nfs/dbraw/zinc/83/36/58/631833658.db2.gz YGCORBSRKKNERA-AEFFLSMTSA-N 2 1 286.419 2.395 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCCO4)C[C@]2(C)C1 ZINC000897620744 631833667 /nfs/dbraw/zinc/83/36/67/631833667.db2.gz YGCORBSRKKNERA-AEFFLSMTSA-N 2 1 286.419 2.395 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCCO4)C[C@]2(C)C1 ZINC000897620744 631833675 /nfs/dbraw/zinc/83/36/75/631833675.db2.gz YGCORBSRKKNERA-AEFFLSMTSA-N 2 1 286.419 2.395 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCCO4)C[C@]2(C)C1 ZINC000897620744 631833684 /nfs/dbraw/zinc/83/36/84/631833684.db2.gz YGCORBSRKKNERA-AEFFLSMTSA-N 2 1 286.419 2.395 20 0 CEADMP C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000897967640 631995011 /nfs/dbraw/zinc/99/50/11/631995011.db2.gz VQPUBRDAGXCCSI-HIFRSBDPSA-N 2 1 261.413 2.475 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)nc3ccccn32)[C@@H](C)C1 ZINC000898274891 632143289 /nfs/dbraw/zinc/14/32/89/632143289.db2.gz WZVQXACPXRCHIF-DZGCQCFKSA-N 2 1 286.423 2.463 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)nc3ccccn32)[C@@H](C)C1 ZINC000898274891 632143294 /nfs/dbraw/zinc/14/32/94/632143294.db2.gz WZVQXACPXRCHIF-DZGCQCFKSA-N 2 1 286.423 2.463 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989482747 632185282 /nfs/dbraw/zinc/18/52/82/632185282.db2.gz HKTKORXSJKIDIT-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cncs1 ZINC000322642804 632234687 /nfs/dbraw/zinc/23/46/87/632234687.db2.gz YNDXWJNMXBTTMH-YEJSDXFRSA-N 2 1 251.399 2.419 20 0 CEADMP O=C(O[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC[NH+](C2CC2)CC1 ZINC000810838377 632285266 /nfs/dbraw/zinc/28/52/66/632285266.db2.gz PBOLUCDBDXPDHS-HZPDHXFCSA-N 2 1 292.423 2.031 20 0 CEADMP CCO[C@H](C[NH2+][C@@H](C)Cc1ccccc1OC)C[NH+](C)C ZINC000926961965 632389346 /nfs/dbraw/zinc/38/93/46/632389346.db2.gz KXPYPUHRFYTAQV-GOEBONIOSA-N 2 1 294.439 2.183 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H](C1CC1)C(C)(C)C)C[NH+](C)C ZINC000926963199 632391015 /nfs/dbraw/zinc/39/10/15/632391015.db2.gz SYCZWUDMICELMS-KBPBESRZSA-N 2 1 256.434 2.367 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C[NH+](C)C ZINC000926963930 632391475 /nfs/dbraw/zinc/39/14/75/632391475.db2.gz VZGIOXUQQUIRGQ-XGUBFFRZSA-N 2 1 254.418 2.121 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC000811601086 632406465 /nfs/dbraw/zinc/40/64/65/632406465.db2.gz QFEBQJKYUNERSJ-CQSZACIVSA-N 2 1 294.443 2.208 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC000811601086 632406468 /nfs/dbraw/zinc/40/64/68/632406468.db2.gz QFEBQJKYUNERSJ-CQSZACIVSA-N 2 1 294.443 2.208 20 0 CEADMP COC1(OC)CC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000924688590 632420269 /nfs/dbraw/zinc/42/02/69/632420269.db2.gz TVIUASFTHIWHIB-LSDHHAIUSA-N 2 1 284.444 2.240 20 0 CEADMP CC[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000873281614 632423788 /nfs/dbraw/zinc/42/37/88/632423788.db2.gz MQBUQFSKSFJTGX-BDAKNGLRSA-N 2 1 290.276 2.278 20 0 CEADMP C[C@H](CN[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000924715824 632458175 /nfs/dbraw/zinc/45/81/75/632458175.db2.gz MZWHIBQNMXIEQK-ZACQAIPSSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCN2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000924715824 632458178 /nfs/dbraw/zinc/45/81/78/632458178.db2.gz MZWHIBQNMXIEQK-ZACQAIPSSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H](Cn2ccnc2)C(C)(C)C)c2ncnn21 ZINC000924731331 632479870 /nfs/dbraw/zinc/47/98/70/632479870.db2.gz UAZBHFHPQJSNFX-UPJWGTAASA-N 2 1 288.399 2.185 20 0 CEADMP CCc1onc(C)c1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000927140299 632571430 /nfs/dbraw/zinc/57/14/30/632571430.db2.gz QEGMVEQKEYCUEZ-ZYHUDNBSSA-N 2 1 251.374 2.118 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000813335648 632673474 /nfs/dbraw/zinc/67/34/74/632673474.db2.gz FWOCWZBPOAFBDV-ZIAGYGMSSA-N 2 1 284.444 2.380 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000813335648 632673480 /nfs/dbraw/zinc/67/34/80/632673480.db2.gz FWOCWZBPOAFBDV-ZIAGYGMSSA-N 2 1 284.444 2.380 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000813335648 632673487 /nfs/dbraw/zinc/67/34/87/632673487.db2.gz FWOCWZBPOAFBDV-ZIAGYGMSSA-N 2 1 284.444 2.380 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000813335648 632673492 /nfs/dbraw/zinc/67/34/92/632673492.db2.gz FWOCWZBPOAFBDV-ZIAGYGMSSA-N 2 1 284.444 2.380 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815144982 632971764 /nfs/dbraw/zinc/97/17/64/632971764.db2.gz MHALYYLGGILRIF-MRXNPFEDSA-N 2 1 282.428 2.138 20 0 CEADMP CCCCOC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000815144982 632971769 /nfs/dbraw/zinc/97/17/69/632971769.db2.gz MHALYYLGGILRIF-MRXNPFEDSA-N 2 1 282.428 2.138 20 0 CEADMP CCCCOC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000815144982 632971778 /nfs/dbraw/zinc/97/17/78/632971778.db2.gz MHALYYLGGILRIF-MRXNPFEDSA-N 2 1 282.428 2.138 20 0 CEADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000815564035 633031501 /nfs/dbraw/zinc/03/15/01/633031501.db2.gz VGSFFMNSZNIIFM-ZFWWWQNUSA-N 2 1 280.387 2.241 20 0 CEADMP Cc1cccc([C@H](O)C[N@@H+]2CCC23CC[NH+](C)CC3)c1 ZINC000899909417 633083860 /nfs/dbraw/zinc/08/38/60/633083860.db2.gz BOMORXHYAWUTRA-MRXNPFEDSA-N 2 1 274.408 2.199 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000900017583 633180072 /nfs/dbraw/zinc/18/00/72/633180072.db2.gz NEQQXKQTLCHFPA-CYBMUJFWSA-N 2 1 278.400 2.157 20 0 CEADMP C[NH2+][C@H](CNc1cc(NC2CC2)[nH+]cn1)Cc1ccccc1 ZINC000900020399 633185669 /nfs/dbraw/zinc/18/56/69/633185669.db2.gz NHTXUJPGWHUPCQ-HNNXBMFYSA-N 2 1 297.406 2.294 20 0 CEADMP C[C@H](O)c1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)s1 ZINC000817864636 633747113 /nfs/dbraw/zinc/74/71/13/633747113.db2.gz BGMDKNQDVUGWCC-USZNOCQGSA-N 2 1 283.441 2.002 20 0 CEADMP C[C@H](O)c1ncc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)s1 ZINC000817864636 633747116 /nfs/dbraw/zinc/74/71/16/633747116.db2.gz BGMDKNQDVUGWCC-USZNOCQGSA-N 2 1 283.441 2.002 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)cn1 ZINC000817889157 633753320 /nfs/dbraw/zinc/75/33/20/633753320.db2.gz NEYWWQFIPLJXSN-BBRMVZONSA-N 2 1 299.422 2.196 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2cccnc2)c2ccccc21 ZINC000817892222 633753977 /nfs/dbraw/zinc/75/39/77/633753977.db2.gz KZTVKXQMSPPRMD-JKSUJKDBSA-N 2 1 269.348 2.195 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOc1ccccc1F ZINC000817899403 633760011 /nfs/dbraw/zinc/76/00/11/633760011.db2.gz OHKPAYJMQHKIME-OCCSQVGLSA-N 2 1 266.360 2.182 20 0 CEADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000817913437 633772537 /nfs/dbraw/zinc/77/25/37/633772537.db2.gz PFPRBIJEVGBCNS-XQHKEYJVSA-N 2 1 268.426 2.290 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817922751 633779404 /nfs/dbraw/zinc/77/94/04/633779404.db2.gz LIIDHXHVJDXNBP-VNCIIQTRSA-N 2 1 288.435 2.404 20 0 CEADMP C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000817928364 633783864 /nfs/dbraw/zinc/78/38/64/633783864.db2.gz WCQRBZYAYOYOQA-PVAVHDDUSA-N 2 1 276.424 2.100 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000817944133 633791379 /nfs/dbraw/zinc/79/13/79/633791379.db2.gz XZQZXPYHZWIFRO-SNVBAGLBSA-N 2 1 286.217 2.494 20 0 CEADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817970369 633813877 /nfs/dbraw/zinc/81/38/77/633813877.db2.gz SONUPJKPRVXGPO-RWMBFGLXSA-N 2 1 285.432 2.101 20 0 CEADMP C[NH2+]C[C@@H]1CCCCN1Cc1[nH+]cc(C)c(OC)c1C ZINC000042407853 633950363 /nfs/dbraw/zinc/95/03/63/633950363.db2.gz FQNPYPMOEWFQAB-AWEZNQCLSA-N 2 1 277.412 2.281 20 0 CEADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000818981991 634027687 /nfs/dbraw/zinc/02/76/87/634027687.db2.gz BTEKWTLHBSAHAY-WMZOPIPTSA-N 2 1 288.435 2.259 20 0 CEADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000818981990 634028540 /nfs/dbraw/zinc/02/85/40/634028540.db2.gz BTEKWTLHBSAHAY-SJLPKXTDSA-N 2 1 288.435 2.259 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)C1=CC[N@@H+](C)CC1 ZINC000819219466 634108462 /nfs/dbraw/zinc/10/84/62/634108462.db2.gz FDEWUBMGBKUMIM-ZBEGNZNMSA-N 2 1 296.361 2.238 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000819250081 634117528 /nfs/dbraw/zinc/11/75/28/634117528.db2.gz ULHKVQICUWMGEH-DJIMGWMZSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000819250081 634117532 /nfs/dbraw/zinc/11/75/32/634117532.db2.gz ULHKVQICUWMGEH-DJIMGWMZSA-N 2 1 276.424 2.258 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000819366985 634158825 /nfs/dbraw/zinc/15/88/25/634158825.db2.gz VHIJTLBBZCSXIR-YOEHRIQHSA-N 2 1 294.414 2.489 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1COc2ccccc2C1 ZINC000902896089 634885514 /nfs/dbraw/zinc/88/55/14/634885514.db2.gz HIBVDRZWYQLUGO-WMLDXEAASA-N 2 1 286.419 2.478 20 0 CEADMP CC(C)C[C@H]([NH2+]CCc1c[nH+]cn1C)C1CCOCC1 ZINC000902957210 634913048 /nfs/dbraw/zinc/91/30/48/634913048.db2.gz HMIKKVZLFQNLMJ-INIZCTEOSA-N 2 1 279.428 2.394 20 0 CEADMP CC(C)C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903083780 634961054 /nfs/dbraw/zinc/96/10/54/634961054.db2.gz NIMXKRLOTMDEKN-WDVRLDOZSA-N 2 1 266.429 2.141 20 0 CEADMP C[NH+](C)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903083187 634961172 /nfs/dbraw/zinc/96/11/72/634961172.db2.gz AYWSTPLNKZXUHU-VHRNVKJDSA-N 3 1 265.445 2.076 20 0 CEADMP C1=C(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)COCC1 ZINC000903171355 634997636 /nfs/dbraw/zinc/99/76/36/634997636.db2.gz OJOZRXCWPILIRL-VHRNVKJDSA-N 2 1 262.397 2.081 20 0 CEADMP CO[C@@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903172545 634998108 /nfs/dbraw/zinc/99/81/08/634998108.db2.gz RDHSZQBREAONOZ-AAQXDXKCSA-N 2 1 252.402 2.157 20 0 CEADMP CN(C)c1cc[nH+]c(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000903198103 635008535 /nfs/dbraw/zinc/00/85/35/635008535.db2.gz FZSWJBZSDVDNQH-BRWVUGGUSA-N 2 1 288.439 2.110 20 0 CEADMP CN(C)c1ccnc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000903198103 635008536 /nfs/dbraw/zinc/00/85/36/635008536.db2.gz FZSWJBZSDVDNQH-BRWVUGGUSA-N 2 1 288.439 2.110 20 0 CEADMP CN(C)c1ccnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000903198103 635008540 /nfs/dbraw/zinc/00/85/40/635008540.db2.gz FZSWJBZSDVDNQH-BRWVUGGUSA-N 2 1 288.439 2.110 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903203021 635011134 /nfs/dbraw/zinc/01/11/34/635011134.db2.gz HZJHKXCYIOUMCR-ZBSSRIJBSA-N 2 1 277.456 2.218 20 0 CEADMP CCC[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903203021 635011136 /nfs/dbraw/zinc/01/11/36/635011136.db2.gz HZJHKXCYIOUMCR-ZBSSRIJBSA-N 2 1 277.456 2.218 20 0 CEADMP CCC[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903203021 635011137 /nfs/dbraw/zinc/01/11/37/635011137.db2.gz HZJHKXCYIOUMCR-ZBSSRIJBSA-N 2 1 277.456 2.218 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CC1(C)C ZINC000903259982 635033086 /nfs/dbraw/zinc/03/30/86/635033086.db2.gz JOYYXTRYUSOWFW-MJBXVCDLSA-N 2 1 252.402 2.016 20 0 CEADMP C[N@@H+]1CC[C@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000903321326 635054838 /nfs/dbraw/zinc/05/48/38/635054838.db2.gz CBKZUPUOFFDKBV-INIZCTEOSA-N 2 1 265.445 2.077 20 0 CEADMP C[N@H+]1CC[C@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000903321326 635054839 /nfs/dbraw/zinc/05/48/39/635054839.db2.gz CBKZUPUOFFDKBV-INIZCTEOSA-N 2 1 265.445 2.077 20 0 CEADMP Cc1cc(CO)cc(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000903306726 635058069 /nfs/dbraw/zinc/05/80/69/635058069.db2.gz AXOPYCPJBLAKDQ-GOEBONIOSA-N 2 1 276.424 2.368 20 0 CEADMP COCCC[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903382302 635094361 /nfs/dbraw/zinc/09/43/61/635094361.db2.gz DNCWBTBBBOHMBS-ZBFHGGJFSA-N 2 1 279.428 2.479 20 0 CEADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H](CCO)c1ccccc1 ZINC000903437418 635116645 /nfs/dbraw/zinc/11/66/45/635116645.db2.gz HSHJXRBEZBVADI-VNQPRFMTSA-N 2 1 262.397 2.169 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000903435756 635117190 /nfs/dbraw/zinc/11/71/90/635117190.db2.gz YPMFOTGKCAWJIL-VHDGCEQUSA-N 2 1 288.391 2.408 20 0 CEADMP FC(F)(F)[C@H]1CC[C@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)O1 ZINC000903420968 635121805 /nfs/dbraw/zinc/12/18/05/635121805.db2.gz IIYHHBWUZRQCIZ-CHWSQXEVSA-N 2 1 292.345 2.313 20 0 CEADMP FC(F)(F)[C@@H]1CC[C@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)O1 ZINC000903420969 635122198 /nfs/dbraw/zinc/12/21/98/635122198.db2.gz IIYHHBWUZRQCIZ-OLZOCXBDSA-N 2 1 292.345 2.313 20 0 CEADMP Cn1nccc1[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903459757 635125928 /nfs/dbraw/zinc/12/59/28/635125928.db2.gz ZBTQCFHCYWCAHB-VNHYZAJKSA-N 2 1 262.401 2.075 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000903444001 635129295 /nfs/dbraw/zinc/12/92/95/635129295.db2.gz MHVKBNVVFMJSOS-SOLBZPMBSA-N 2 1 287.451 2.443 20 0 CEADMP Cn1c2ccccc2nc1C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903443601 635129674 /nfs/dbraw/zinc/12/96/74/635129674.db2.gz FDCGUVLTYLKCLX-OLZOCXBDSA-N 2 1 272.396 2.133 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](CC(F)(F)F)O1 ZINC000903464585 635134938 /nfs/dbraw/zinc/13/49/38/635134938.db2.gz SMRVQPOMDYATKH-WYUUTHIRSA-N 2 1 280.334 2.156 20 0 CEADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456044 635139552 /nfs/dbraw/zinc/13/95/52/635139552.db2.gz CXCFCWIFBGHEPJ-SWHYSGLUSA-N 2 1 262.401 2.019 20 0 CEADMP c1ccc(OCCC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903467625 635140164 /nfs/dbraw/zinc/14/01/64/635140164.db2.gz DLJNFZGONSNYBT-HNNXBMFYSA-N 2 1 260.381 2.330 20 0 CEADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457236 635140204 /nfs/dbraw/zinc/14/02/04/635140204.db2.gz OSWGVYOCPKKGNU-HZSPNIEDSA-N 2 1 262.401 2.291 20 0 CEADMP c1ccc2c(CC[NH2+][C@H]3CC[NH2+]C34CCC4)noc2c1 ZINC000903472685 635143799 /nfs/dbraw/zinc/14/37/99/635143799.db2.gz UTYBALOPJDJEOQ-HNNXBMFYSA-N 2 1 271.364 2.245 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)C2 ZINC000903474912 635144024 /nfs/dbraw/zinc/14/40/24/635144024.db2.gz UHHWBRNXIDBJQV-KYGRNUTJSA-N 2 1 270.367 2.209 20 0 CEADMP CC(=O)Nc1ccc2c(c1)C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC2 ZINC000903478246 635147782 /nfs/dbraw/zinc/14/77/82/635147782.db2.gz GWAZNLSIUAGCDD-CJNGLKHVSA-N 2 1 287.407 2.131 20 0 CEADMP FC(F)(F)[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)O1 ZINC000903482142 635149220 /nfs/dbraw/zinc/14/92/20/635149220.db2.gz YJDLQGYLZUYODA-WOPDTQHZSA-N 2 1 292.345 2.361 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000903482639 635150620 /nfs/dbraw/zinc/15/06/20/635150620.db2.gz NOQBRPIFHQZKJE-MXSMSXNCSA-N 3 1 293.499 2.462 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496713 635157673 /nfs/dbraw/zinc/15/76/73/635157673.db2.gz ZSJSKIGQZWSUCX-OWCLPIDISA-N 2 1 297.487 2.234 20 0 CEADMP C(C1CCCC1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903507281 635161041 /nfs/dbraw/zinc/16/10/41/635161041.db2.gz UVRFHTCEFZISIK-CALCHBBNSA-N 2 1 277.456 2.077 20 0 CEADMP C(C1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507281 635161045 /nfs/dbraw/zinc/16/10/45/635161045.db2.gz UVRFHTCEFZISIK-CALCHBBNSA-N 2 1 277.456 2.077 20 0 CEADMP C(C1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903507281 635161050 /nfs/dbraw/zinc/16/10/50/635161050.db2.gz UVRFHTCEFZISIK-CALCHBBNSA-N 2 1 277.456 2.077 20 0 CEADMP Cn1ccc([C@H]2CCC[N@@H+](CCCCCC[NH3+])C2)n1 ZINC000903564199 635164676 /nfs/dbraw/zinc/16/46/76/635164676.db2.gz QEQCURJMAYPREB-AWEZNQCLSA-N 2 1 264.417 2.119 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823605192 635227368 /nfs/dbraw/zinc/22/73/68/635227368.db2.gz JDCLADLSVXJOQS-MRXNPFEDSA-N 2 1 273.380 2.031 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823605192 635227376 /nfs/dbraw/zinc/22/73/76/635227376.db2.gz JDCLADLSVXJOQS-MRXNPFEDSA-N 2 1 273.380 2.031 20 0 CEADMP CCc1ccc(C[N@@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903717465 635232647 /nfs/dbraw/zinc/23/26/47/635232647.db2.gz ATRDEZQBWWQQOB-MSOLQXFVSA-N 2 1 288.435 2.449 20 0 CEADMP C[C@H](C1CC1)[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903722215 635236037 /nfs/dbraw/zinc/23/60/37/635236037.db2.gz IXAYFWGBYTUYCX-UHOFOFEASA-N 2 1 264.413 2.018 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)CC1CCCCC1 ZINC000903724515 635237123 /nfs/dbraw/zinc/23/71/23/635237123.db2.gz OFGZYSDYBFLFIN-HZPDHXFCSA-N 2 1 266.429 2.267 20 0 CEADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H]1C1CCC1 ZINC000903725512 635238258 /nfs/dbraw/zinc/23/82/58/635238258.db2.gz BTXDSESWFIBSED-PMPSAXMXSA-N 2 1 264.413 2.020 20 0 CEADMP Cc1cccc(C[N@@H+](C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903724928 635238318 /nfs/dbraw/zinc/23/83/18/635238318.db2.gz SKAYYSQJUABJMV-DLBZAZTESA-N 2 1 274.408 2.195 20 0 CEADMP CC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H](C)C(C)C ZINC000903726739 635239325 /nfs/dbraw/zinc/23/93/25/635239325.db2.gz NYOSATNKMOXXPO-QLFBSQMISA-N 2 1 254.418 2.121 20 0 CEADMP CC[C@H](C)C[N@@H+](CC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903733415 635239622 /nfs/dbraw/zinc/23/96/22/635239622.db2.gz JYCHZZVWLPNTKV-KKUMJFAQSA-N 2 1 254.418 2.123 20 0 CEADMP CCn1nc(C)c(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)n1 ZINC000823653769 635244228 /nfs/dbraw/zinc/24/42/28/635244228.db2.gz FQXPCYAMBFQYAL-CQSZACIVSA-N 2 1 293.459 2.351 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903712978 635244787 /nfs/dbraw/zinc/24/47/87/635244787.db2.gz CSCFFZFMAORGOP-SDDRHHMPSA-N 2 1 280.334 2.157 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903712978 635244791 /nfs/dbraw/zinc/24/47/91/635244791.db2.gz CSCFFZFMAORGOP-SDDRHHMPSA-N 2 1 280.334 2.157 20 0 CEADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733437 635248993 /nfs/dbraw/zinc/24/89/93/635248993.db2.gz KGJOLOMVRBKUQX-RRFJBIMHSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)c1ccccc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000903760705 635255913 /nfs/dbraw/zinc/25/59/13/635255913.db2.gz KDYMFOBSOBBLFP-OAHLLOKOSA-N 2 1 262.397 2.360 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCOC[C@H]2CCCO2)CCC1 ZINC000903815646 635272319 /nfs/dbraw/zinc/27/23/19/635272319.db2.gz SKUUSXGJIUVFMQ-HZPDHXFCSA-N 2 1 296.455 2.166 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC[NH2+]CCC23CCOCC3)s1 ZINC000903817636 635273190 /nfs/dbraw/zinc/27/31/90/635273190.db2.gz BGKGMYCBLMHUQB-UHFFFAOYSA-N 2 1 295.452 2.104 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CC[NH2+]CCC23CCOCC3)s1 ZINC000903817636 635273194 /nfs/dbraw/zinc/27/31/94/635273194.db2.gz BGKGMYCBLMHUQB-UHFFFAOYSA-N 2 1 295.452 2.104 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2CCc1ccc2c(c1)CCO2 ZINC000903797407 635274647 /nfs/dbraw/zinc/27/46/47/635274647.db2.gz HIEQEHNNVMZKKG-WMZOPIPTSA-N 2 1 286.419 2.367 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2CCc1ccc2c(c1)CCO2 ZINC000903797407 635274651 /nfs/dbraw/zinc/27/46/51/635274651.db2.gz HIEQEHNNVMZKKG-WMZOPIPTSA-N 2 1 286.419 2.367 20 0 CEADMP Nc1cc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)ccn1 ZINC000903812143 635286869 /nfs/dbraw/zinc/28/68/69/635286869.db2.gz QUQNOYYWWUENII-CQSZACIVSA-N 2 1 274.412 2.147 20 0 CEADMP Cc1cccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903813892 635287478 /nfs/dbraw/zinc/28/74/78/635287478.db2.gz BSUIQYRLROZWHV-UHFFFAOYSA-N 2 1 274.408 2.340 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000903824985 635292666 /nfs/dbraw/zinc/29/26/66/635292666.db2.gz WSBDXCDRJXTAAW-CVEARBPZSA-N 2 1 284.444 2.166 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)C2 ZINC000903839789 635299462 /nfs/dbraw/zinc/29/94/62/635299462.db2.gz NLYFGDWFPHEMKG-NURVWSNCSA-N 2 1 256.340 2.089 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccncc1Cl)C2 ZINC000903843908 635302102 /nfs/dbraw/zinc/30/21/02/635302102.db2.gz WQRXFGDRJOTINW-WCQGTBRESA-N 2 1 251.761 2.047 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccncc1Cl)C2 ZINC000903843908 635302108 /nfs/dbraw/zinc/30/21/08/635302108.db2.gz WQRXFGDRJOTINW-WCQGTBRESA-N 2 1 251.761 2.047 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCCOc1ccccc1 ZINC000903854372 635304746 /nfs/dbraw/zinc/30/47/46/635304746.db2.gz JRBWYAZDISXMLK-HOCLYGCPSA-N 2 1 260.381 2.269 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCCOc1ccccc1 ZINC000903854372 635304753 /nfs/dbraw/zinc/30/47/53/635304753.db2.gz JRBWYAZDISXMLK-HOCLYGCPSA-N 2 1 260.381 2.269 20 0 CEADMP CC(C)CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000903883192 635325635 /nfs/dbraw/zinc/32/56/35/635325635.db2.gz FIMVRMFAQJKALM-OAHLLOKOSA-N 2 1 291.443 2.213 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903894961 635329892 /nfs/dbraw/zinc/32/98/92/635329892.db2.gz IUBUFHDRNRZQSI-QLFBSQMISA-N 2 1 291.443 2.213 20 0 CEADMP [NH3+][C@@H](C[NH2+]C1(c2ccccc2)CCOCC1)CC(F)F ZINC000903898910 635335223 /nfs/dbraw/zinc/33/52/23/635335223.db2.gz PFOJUNQLFOTTLI-CYBMUJFWSA-N 2 1 284.350 2.264 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000903912498 635346465 /nfs/dbraw/zinc/34/64/65/635346465.db2.gz FVNGDKZSLZAOKL-XRMFNRFGSA-N 2 1 264.413 2.018 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1cccc2c1CCCN2)CC(F)F ZINC000903919267 635349018 /nfs/dbraw/zinc/34/90/18/635349018.db2.gz LNCKYHWNRWFCSC-NSHDSACASA-N 2 1 269.339 2.117 20 0 CEADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903930497 635356988 /nfs/dbraw/zinc/35/69/88/635356988.db2.gz YXNSRJKCUCJJPX-YPMHNXCESA-N 2 1 271.355 2.365 20 0 CEADMP NC[C@@H]1c2ccccc2CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932416 635358306 /nfs/dbraw/zinc/35/83/06/635358306.db2.gz QWXSHYZKMCIWEL-NPVYPNSJSA-N 3 1 285.435 2.075 20 0 CEADMP [NH3+]C[C@@H]1c2ccccc2CCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932416 635358312 /nfs/dbraw/zinc/35/83/12/635358312.db2.gz QWXSHYZKMCIWEL-NPVYPNSJSA-N 2 1 285.435 2.075 20 0 CEADMP CCC(C)(C)[NH+]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903933029 635358474 /nfs/dbraw/zinc/35/84/74/635358474.db2.gz YBDGPAPPTFBSPQ-MQVJKMGUSA-N 2 1 279.472 2.323 20 0 CEADMP COCC(C)(C)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959846 635368917 /nfs/dbraw/zinc/36/89/17/635368917.db2.gz PTSLZVKRTAXVAZ-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000903960150 635369668 /nfs/dbraw/zinc/36/96/68/635369668.db2.gz YBNJFKUKGYLQBV-QGZVFWFLSA-N 2 1 290.455 2.485 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000903975269 635393911 /nfs/dbraw/zinc/39/39/11/635393911.db2.gz ZBQIZPFVEUNPNX-ILXRZTDVSA-N 2 1 266.429 2.313 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccnn2-c2ccccc2)C[C@H]1CC[NH3+] ZINC000903978747 635394371 /nfs/dbraw/zinc/39/43/71/635394371.db2.gz WGHJZSFRTPELRP-HUUCEWRRSA-N 2 1 284.407 2.289 20 0 CEADMP COCCOc1cccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903977691 635394984 /nfs/dbraw/zinc/39/49/84/635394984.db2.gz WDOFQOORCRVIKC-GDBMZVCRSA-N 2 1 292.423 2.129 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903963691 635398186 /nfs/dbraw/zinc/39/81/86/635398186.db2.gz FYDWYBFMVWQDHD-YQFWSFKMSA-N 2 1 273.424 2.019 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904299893 635552785 /nfs/dbraw/zinc/55/27/85/635552785.db2.gz QVQPODUYOQYZHF-JSGCOSHPSA-N 3 1 255.450 2.199 20 0 CEADMP CN(C[C@@H]([NH3+])CCC(C)(C)C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000904316205 635555196 /nfs/dbraw/zinc/55/51/96/635555196.db2.gz LZGJWGMDMVBSIE-DZGCQCFKSA-N 2 1 267.461 2.309 20 0 CEADMP C[N@@H+](CCOc1cccc(Cl)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904305846 635557140 /nfs/dbraw/zinc/55/71/40/635557140.db2.gz VGYPOKNJXBBNPD-BJHJDKERSA-N 2 1 268.788 2.388 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+](Cc2cccs2)C[C@H]2CCCO2)C1 ZINC000904305224 635557431 /nfs/dbraw/zinc/55/74/31/635557431.db2.gz HYPIUHCPEIVRGD-HZSPNIEDSA-N 2 1 280.437 2.466 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000904315327 635561327 /nfs/dbraw/zinc/56/13/27/635561327.db2.gz AIIFYODGGNIGLD-YUTCNCBUSA-N 2 1 274.364 2.290 20 0 CEADMP CCCC(=O)NC[C@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904316499 635562743 /nfs/dbraw/zinc/56/27/43/635562743.db2.gz NHQCJUNPTWZELU-WBVHZDCISA-N 2 1 295.471 2.004 20 0 CEADMP CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904326337 635572454 /nfs/dbraw/zinc/57/24/54/635572454.db2.gz HAMIEOSLXASEOY-IMJJTQAJSA-N 2 1 290.407 2.350 20 0 CEADMP c1cn(C2CC2)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000904350066 635584591 /nfs/dbraw/zinc/58/45/91/635584591.db2.gz GTMOUCLEODCJEA-ZIAGYGMSSA-N 2 1 274.412 2.040 20 0 CEADMP [NH3+]Cc1ccc(CNC[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000904355732 635587768 /nfs/dbraw/zinc/58/77/68/635587768.db2.gz QWXZDIBGQQMLJB-SFHVURJKSA-N 2 1 281.403 2.122 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3cccc(Cl)c3C2)C1 ZINC000904371860 635594361 /nfs/dbraw/zinc/59/43/61/635594361.db2.gz VEXUYTHNVZAWNJ-KLPPZKSPSA-N 2 1 250.773 2.435 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904377567 635603505 /nfs/dbraw/zinc/60/35/05/635603505.db2.gz TVNNVXLHZFTLJH-PHIMTYICSA-N 2 1 284.306 2.177 20 0 CEADMP Nc1ccc2c(c1)C[N@H+](Cc1ccc(C[NH3+])cc1)CCO2 ZINC000904386278 635608382 /nfs/dbraw/zinc/60/83/82/635608382.db2.gz VJBDKOYESRAGDB-UHFFFAOYSA-N 2 1 283.375 2.122 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2ccc(C(=O)OC)c(C)c2)CC1 ZINC000904386148 635608891 /nfs/dbraw/zinc/60/88/91/635608891.db2.gz QNCILPANJJXQBL-UHFFFAOYSA-N 2 1 290.407 2.485 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000904406039 635613670 /nfs/dbraw/zinc/61/36/70/635613670.db2.gz OFIUCEYNYOTKDF-LLVKDONJSA-N 2 1 290.436 2.444 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000904409750 635614866 /nfs/dbraw/zinc/61/48/66/635614866.db2.gz HPLGMHFNZBQJHD-CYBMUJFWSA-N 2 1 270.380 2.247 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)ccc1OC ZINC000904409800 635615053 /nfs/dbraw/zinc/61/50/53/635615053.db2.gz IUSXQRVYYWUDKH-CYBMUJFWSA-N 2 1 278.396 2.265 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cnc1Cl ZINC000904410852 635616603 /nfs/dbraw/zinc/61/66/03/635616603.db2.gz JHEIEUSCBODOKR-YPMHNXCESA-N 2 1 267.804 2.460 20 0 CEADMP Cn1ccnc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904411191 635619232 /nfs/dbraw/zinc/61/92/32/635619232.db2.gz JMCBKFCSLQPSJZ-AWEZNQCLSA-N 2 1 276.428 2.022 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)CC[C@@H]1C[NH3+] ZINC000904412143 635619424 /nfs/dbraw/zinc/61/94/24/635619424.db2.gz RATNGFSYUQJNRH-GOEBONIOSA-N 2 1 288.439 2.099 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cn(C)nc2C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000904411093 635619509 /nfs/dbraw/zinc/61/95/09/635619509.db2.gz JZLOHDPISHNJLU-QWHCGFSZSA-N 2 1 278.444 2.134 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc3c(s2)CCC3)CC[C@H]1C[NH3+] ZINC000904412815 635619897 /nfs/dbraw/zinc/61/98/97/635619897.db2.gz ZOGLMYXSSMECEL-MNOVXSKESA-N 2 1 265.426 2.049 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@@H]1C[NH3+] ZINC000904412237 635620095 /nfs/dbraw/zinc/62/00/95/635620095.db2.gz QQMKNSOCBCPLDY-MAUKXSAKSA-N 2 1 298.434 2.348 20 0 CEADMP CCc1noc([C@@H]2CC[C@H]([NH2+]CC[NH2+]C(C)(C)C)C2)n1 ZINC000904428668 635624292 /nfs/dbraw/zinc/62/42/92/635624292.db2.gz OKXSPWIPUDAXDM-NEPJUHHUSA-N 2 1 280.416 2.246 20 0 CEADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1cccc(=O)[nH]1 ZINC000904445129 635639047 /nfs/dbraw/zinc/63/90/47/635639047.db2.gz WFASICPCGXSMFD-UHFFFAOYSA-N 2 1 289.404 2.126 20 0 CEADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1cccc(=O)[nH]1 ZINC000904445129 635639052 /nfs/dbraw/zinc/63/90/52/635639052.db2.gz WFASICPCGXSMFD-UHFFFAOYSA-N 2 1 289.404 2.126 20 0 CEADMP C[C@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCN1c1ccccc1 ZINC000904469623 635646920 /nfs/dbraw/zinc/64/69/20/635646920.db2.gz NZMFVKSTPKUMOG-DOTOQJQBSA-N 2 1 273.424 2.197 20 0 CEADMP C[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCN1c1ccccc1 ZINC000904469623 635646922 /nfs/dbraw/zinc/64/69/22/635646922.db2.gz NZMFVKSTPKUMOG-DOTOQJQBSA-N 2 1 273.424 2.197 20 0 CEADMP COc1cncc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000825928402 635733676 /nfs/dbraw/zinc/73/36/76/635733676.db2.gz UBPLOKREGLOATR-INIZCTEOSA-N 2 1 289.423 2.254 20 0 CEADMP CC[C@@](O)(C[NH2+]C1CC[NH+](CC2CC2)CC1)C(F)(F)F ZINC000905053903 635789870 /nfs/dbraw/zinc/78/98/70/635789870.db2.gz DEWPCLVVMQHGFM-CYBMUJFWSA-N 2 1 294.361 2.154 20 0 CEADMP C=C/C=C\CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000905423699 636274829 /nfs/dbraw/zinc/27/48/29/636274829.db2.gz QRRMRVJLKCZGJZ-VGOKWCNXSA-N 2 1 274.408 2.201 20 0 CEADMP C=C/C=C\CC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000905423699 636274832 /nfs/dbraw/zinc/27/48/32/636274832.db2.gz QRRMRVJLKCZGJZ-VGOKWCNXSA-N 2 1 274.408 2.201 20 0 CEADMP CC(C)CC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000827936507 636464095 /nfs/dbraw/zinc/46/40/95/636464095.db2.gz LRLTYYFNEZPDFL-HNNXBMFYSA-N 2 1 266.429 2.409 20 0 CEADMP CC(C)CC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000827936507 636464098 /nfs/dbraw/zinc/46/40/98/636464098.db2.gz LRLTYYFNEZPDFL-HNNXBMFYSA-N 2 1 266.429 2.409 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)CC(C)C)C1 ZINC000827976071 636477101 /nfs/dbraw/zinc/47/71/01/636477101.db2.gz OKNHPIXZEFCZPV-AWEZNQCLSA-N 2 1 254.418 2.265 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)CC(C)C)C1 ZINC000827976071 636477104 /nfs/dbraw/zinc/47/71/04/636477104.db2.gz OKNHPIXZEFCZPV-AWEZNQCLSA-N 2 1 254.418 2.265 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)CC(C)C)C1 ZINC000827976071 636477109 /nfs/dbraw/zinc/47/71/09/636477109.db2.gz OKNHPIXZEFCZPV-AWEZNQCLSA-N 2 1 254.418 2.265 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)CC(C)C)C1 ZINC000827976071 636477112 /nfs/dbraw/zinc/47/71/12/636477112.db2.gz OKNHPIXZEFCZPV-AWEZNQCLSA-N 2 1 254.418 2.265 20 0 CEADMP CC(C)c1[nH+]ccn1CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000828966079 636739176 /nfs/dbraw/zinc/73/91/76/636739176.db2.gz WFWPPSPRSMTZLN-CJNGLKHVSA-N 2 1 292.427 2.030 20 0 CEADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C1CC([NH3+])C1 ZINC000906509232 636760522 /nfs/dbraw/zinc/76/05/22/636760522.db2.gz BLYQKJWLBHXDSS-UHFFFAOYSA-N 2 1 290.798 2.413 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000906848221 636868646 /nfs/dbraw/zinc/86/86/46/636868646.db2.gz WAKOHWVYMWTULI-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cc(F)ncc1F)C1CC1 ZINC000835064950 638046309 /nfs/dbraw/zinc/04/63/09/638046309.db2.gz ZXOCBAKACIVLIG-UHFFFAOYSA-N 2 1 269.339 2.324 20 0 CEADMP CCCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000876818387 650446028 /nfs/dbraw/zinc/44/60/28/650446028.db2.gz TXMBIXWKYKGECM-IYBDPMFKSA-N 2 1 274.408 2.435 20 0 CEADMP CCCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000876818387 650446029 /nfs/dbraw/zinc/44/60/29/650446029.db2.gz TXMBIXWKYKGECM-IYBDPMFKSA-N 2 1 274.408 2.435 20 0 CEADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC000836948593 638755520 /nfs/dbraw/zinc/75/55/20/638755520.db2.gz RURXGKLRUYOXDU-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000912718812 639000255 /nfs/dbraw/zinc/00/02/55/639000255.db2.gz BXPOTLVDOFXOOR-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000912718812 639000262 /nfs/dbraw/zinc/00/02/62/639000262.db2.gz BXPOTLVDOFXOOR-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000912718812 639000265 /nfs/dbraw/zinc/00/02/65/639000265.db2.gz BXPOTLVDOFXOOR-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP ClC1(Cl)C[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000876939598 650496411 /nfs/dbraw/zinc/49/64/11/650496411.db2.gz ISTOQXIHKSMOKU-OUAUKWLOSA-N 2 1 263.212 2.397 20 0 CEADMP Cc1ccc(N2CC[N@@H+](CCC[NH3+])[C@@H](C)C2)cc1C ZINC000841019016 639618459 /nfs/dbraw/zinc/61/84/59/639618459.db2.gz DDRSFHPZSDEINB-HNNXBMFYSA-N 2 1 261.413 2.163 20 0 CEADMP C1C[C@@H]2SCCS[C@@H]2[C@@H]1[NH2+][C@H]1CCCC[NH2+]C1 ZINC000841091393 639654700 /nfs/dbraw/zinc/65/47/00/639654700.db2.gz WUJPMDZKQQLJBF-QNWHQSFQSA-N 2 1 272.483 2.098 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2cc(Br)ccc2F)C1 ZINC000087651739 639700549 /nfs/dbraw/zinc/70/05/49/639700549.db2.gz DSNMQYNHSJAZKW-UHFFFAOYSA-N 2 1 273.149 2.168 20 0 CEADMP CC(C)C[C@@H]1CC(=O)N(C[N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000174076417 639895282 /nfs/dbraw/zinc/89/52/82/639895282.db2.gz GINMDEHKPMUPRS-MRXNPFEDSA-N 2 1 295.471 2.112 20 0 CEADMP CC[C@@](O)(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(F)(F)F ZINC000929697041 640022048 /nfs/dbraw/zinc/02/20/48/640022048.db2.gz PXQQTXSCZSSMCD-QWHCGFSZSA-N 2 1 294.361 2.108 20 0 CEADMP CC[C@@](O)(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(F)(F)F ZINC000929697041 640022054 /nfs/dbraw/zinc/02/20/54/640022054.db2.gz PXQQTXSCZSSMCD-QWHCGFSZSA-N 2 1 294.361 2.108 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000842474861 640073577 /nfs/dbraw/zinc/07/35/77/640073577.db2.gz ZQOILIDRSQQYAX-CVEARBPZSA-N 3 1 267.461 2.360 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842475064 640073966 /nfs/dbraw/zinc/07/39/66/640073966.db2.gz KHKWAVHYTLXYNY-KRWDZBQOSA-N 2 1 274.408 2.449 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842475064 640073970 /nfs/dbraw/zinc/07/39/70/640073970.db2.gz KHKWAVHYTLXYNY-KRWDZBQOSA-N 2 1 274.408 2.449 20 0 CEADMP Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCCCCCC[NH3+] ZINC000842476160 640074940 /nfs/dbraw/zinc/07/49/40/640074940.db2.gz IILKCYXHTNWGQF-HNNXBMFYSA-N 2 1 294.443 2.309 20 0 CEADMP Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCCCCCC[NH3+] ZINC000842476160 640074947 /nfs/dbraw/zinc/07/49/47/640074947.db2.gz IILKCYXHTNWGQF-HNNXBMFYSA-N 2 1 294.443 2.309 20 0 CEADMP Cc1nnc([C@H]2CCC[N@@H+](CCCCCCC[NH3+])C2)[nH]1 ZINC000842476416 640076362 /nfs/dbraw/zinc/07/63/62/640076362.db2.gz NXRHDAPSCBSWDW-AWEZNQCLSA-N 2 1 279.432 2.202 20 0 CEADMP Cc1n[nH]c([C@H]2CCC[N@H+](CCCCCCC[NH3+])C2)n1 ZINC000842476416 640076373 /nfs/dbraw/zinc/07/63/73/640076373.db2.gz NXRHDAPSCBSWDW-AWEZNQCLSA-N 2 1 279.432 2.202 20 0 CEADMP Cc1n[nH]c([C@H]2CCC[N@@H+](CCCCCCC[NH3+])C2)n1 ZINC000842476416 640076384 /nfs/dbraw/zinc/07/63/84/640076384.db2.gz NXRHDAPSCBSWDW-AWEZNQCLSA-N 2 1 279.432 2.202 20 0 CEADMP Cc1nc([C@H]2CCC[N@H+](CCCCCCC[NH3+])C2)n[nH]1 ZINC000842476416 640076389 /nfs/dbraw/zinc/07/63/89/640076389.db2.gz NXRHDAPSCBSWDW-AWEZNQCLSA-N 2 1 279.432 2.202 20 0 CEADMP Cc1nc([C@H]2CCC[N@@H+](CCCCCCC[NH3+])C2)n[nH]1 ZINC000842476416 640076402 /nfs/dbraw/zinc/07/64/02/640076402.db2.gz NXRHDAPSCBSWDW-AWEZNQCLSA-N 2 1 279.432 2.202 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000842478501 640078337 /nfs/dbraw/zinc/07/83/37/640078337.db2.gz KBLFEVYHKFIZHR-ZDUSSCGKSA-N 2 1 250.390 2.456 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)[nH]1 ZINC000877074001 650560212 /nfs/dbraw/zinc/56/02/12/650560212.db2.gz XKDOVVGHQXGBEG-JSGCOSHPSA-N 2 1 293.411 2.154 20 0 CEADMP Fc1ccc([C@@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)cc1F ZINC000843358587 640403017 /nfs/dbraw/zinc/40/30/17/640403017.db2.gz SMXZJZXQXJBZKP-INIZCTEOSA-N 2 1 295.377 2.007 20 0 CEADMP Cc1cccc2nc(C[N@H+](C)C3CCC([NH3+])CC3)cn21 ZINC000844220864 640634885 /nfs/dbraw/zinc/63/48/85/640634885.db2.gz NCIBTGOHLNPOKJ-UHFFFAOYSA-N 2 1 272.396 2.344 20 0 CEADMP OCC1([NH2+]CC2CC2)CC[NH+](CCc2cccs2)CC1 ZINC000844334230 640684530 /nfs/dbraw/zinc/68/45/30/640684530.db2.gz HWYHGFNRGNHISX-UHFFFAOYSA-N 2 1 294.464 2.117 20 0 CEADMP COc1ccc(OCC[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000154747371 640967959 /nfs/dbraw/zinc/96/79/59/640967959.db2.gz CPTOFPHBNRNOFB-UHFFFAOYSA-N 2 1 292.423 2.348 20 0 CEADMP CCC/C=C\C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000920743912 641187694 /nfs/dbraw/zinc/18/76/94/641187694.db2.gz IZXMUXOVWTTXEV-WAYWQWQTSA-N 2 1 288.395 2.128 20 0 CEADMP [NH3+]CCCCCCN1CCC[N@H+](C2CCCC2)CC1 ZINC000846221413 641230330 /nfs/dbraw/zinc/23/03/30/641230330.db2.gz ITBCVTZPGFNWSA-UHFFFAOYSA-N 2 1 267.461 2.456 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CCCN(C2CCCC2)CC1 ZINC000846221413 641230336 /nfs/dbraw/zinc/23/03/36/641230336.db2.gz ITBCVTZPGFNWSA-UHFFFAOYSA-N 2 1 267.461 2.456 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCCN(C2CCCC2)CC1 ZINC000846221413 641230338 /nfs/dbraw/zinc/23/03/38/641230338.db2.gz ITBCVTZPGFNWSA-UHFFFAOYSA-N 2 1 267.461 2.456 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000846221382 641230721 /nfs/dbraw/zinc/23/07/21/641230721.db2.gz YCRNGQOBBGXYNU-CVEARBPZSA-N 3 1 267.461 2.217 20 0 CEADMP CCCCCCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000846226823 641234847 /nfs/dbraw/zinc/23/48/47/641234847.db2.gz URWDREAIKFSYFM-HUUCEWRRSA-N 2 1 283.460 2.132 20 0 CEADMP CCCCCCNC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000846226823 641234852 /nfs/dbraw/zinc/23/48/52/641234852.db2.gz URWDREAIKFSYFM-HUUCEWRRSA-N 2 1 283.460 2.132 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000846887720 641468890 /nfs/dbraw/zinc/46/88/90/641468890.db2.gz DQGFRUUCOFOLSZ-CQSZACIVSA-N 2 1 270.380 2.237 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000846887720 641468892 /nfs/dbraw/zinc/46/88/92/641468892.db2.gz DQGFRUUCOFOLSZ-CQSZACIVSA-N 2 1 270.380 2.237 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)ccc1F ZINC000250765410 641552259 /nfs/dbraw/zinc/55/22/59/641552259.db2.gz RKSICLBVWAPKRT-DVOMOZLQSA-N 2 1 296.361 2.215 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)ccc1F ZINC000250765410 641552266 /nfs/dbraw/zinc/55/22/66/641552266.db2.gz RKSICLBVWAPKRT-DVOMOZLQSA-N 2 1 296.361 2.215 20 0 CEADMP C[C@@H]1C[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)C[N@H+]1C1CC1 ZINC000184244312 641846466 /nfs/dbraw/zinc/84/64/66/641846466.db2.gz YQPQRZDOOSVPDQ-ZIAGYGMSSA-N 2 1 293.455 2.027 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(Cl)n2C)C1 ZINC000848534280 642039303 /nfs/dbraw/zinc/03/93/03/642039303.db2.gz QGDLLPZPQGFAJQ-LBPRGKRZSA-N 2 1 284.835 2.284 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(Cl)n2C)C1 ZINC000848534280 642039308 /nfs/dbraw/zinc/03/93/08/642039308.db2.gz QGDLLPZPQGFAJQ-LBPRGKRZSA-N 2 1 284.835 2.284 20 0 CEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Br)nc1 ZINC000817936469 642181332 /nfs/dbraw/zinc/18/13/32/642181332.db2.gz OUSRTBMDVCWZNM-VIFPVBQESA-N 2 1 284.201 2.247 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1ccccc1 ZINC000848981357 642202961 /nfs/dbraw/zinc/20/29/61/642202961.db2.gz HAKQJSGQCTWSHS-HOCLYGCPSA-N 2 1 288.439 2.388 20 0 CEADMP O=c1[nH]c2cccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)c2o1 ZINC000921527892 642208314 /nfs/dbraw/zinc/20/83/14/642208314.db2.gz PQERZRDXSMMSMJ-LLVKDONJSA-N 2 1 287.363 2.107 20 0 CEADMP O=c1[nH]c2cccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c2o1 ZINC000921527892 642208317 /nfs/dbraw/zinc/20/83/17/642208317.db2.gz PQERZRDXSMMSMJ-LLVKDONJSA-N 2 1 287.363 2.107 20 0 CEADMP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000848986824 642208635 /nfs/dbraw/zinc/20/86/35/642208635.db2.gz GLIXARHIVXYYJT-RWMBFGLXSA-N 2 1 254.422 2.162 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000848996504 642216001 /nfs/dbraw/zinc/21/60/01/642216001.db2.gz ZRKAGBMSVDHVNU-ZDUSSCGKSA-N 2 1 294.468 2.135 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N2CCC2)cc1F ZINC000848996834 642216824 /nfs/dbraw/zinc/21/68/24/642216824.db2.gz JFVBDGORBPSRBM-UHFFFAOYSA-N 2 1 287.342 2.050 20 0 CEADMP C[C@H](CCNC(=[NH2+])N1CCC1)[N@@H+](C)Cc1ccccc1 ZINC000849003243 642220951 /nfs/dbraw/zinc/22/09/51/642220951.db2.gz ZVHZCGWVFSOJHD-CQSZACIVSA-N 2 1 274.412 2.127 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=[NH2+])NCC1CCC1 ZINC000849024040 642237551 /nfs/dbraw/zinc/23/75/51/642237551.db2.gz OYZPICFDYUOOCC-CYBMUJFWSA-N 2 1 266.433 2.021 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@H]1C1CC1 ZINC000849040863 642251301 /nfs/dbraw/zinc/25/13/01/642251301.db2.gz DVKVIBNFSBRBIB-OAGGEKHMSA-N 2 1 292.471 2.411 20 0 CEADMP Cc1ccc(CNC(=[NH2+])NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000849041881 642252675 /nfs/dbraw/zinc/25/26/75/642252675.db2.gz ZAYPDRMDZHBLDW-MRXNPFEDSA-N 2 1 288.439 2.341 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCC(F)CC1 ZINC000849046599 642255668 /nfs/dbraw/zinc/25/56/68/642255668.db2.gz WKMVFUZWGPOWRF-JXQTWKCFSA-N 2 1 284.423 2.113 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNCc2ccnn2C2CCC2)C1 ZINC000921617638 642257797 /nfs/dbraw/zinc/25/77/97/642257797.db2.gz DMDPJGSXIWILEE-AWEZNQCLSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921617638 642257799 /nfs/dbraw/zinc/25/77/99/642257799.db2.gz DMDPJGSXIWILEE-AWEZNQCLSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921617638 642257802 /nfs/dbraw/zinc/25/78/02/642257802.db2.gz DMDPJGSXIWILEE-AWEZNQCLSA-N 2 1 276.428 2.428 20 0 CEADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000849349839 642340837 /nfs/dbraw/zinc/34/08/37/642340837.db2.gz KSJDZXONQRWAMT-USXIJHARSA-N 2 1 274.408 2.148 20 0 CEADMP COc1cncc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000850117941 642585296 /nfs/dbraw/zinc/58/52/96/642585296.db2.gz BXVOTNOCNIHNJT-LBPRGKRZSA-N 2 1 274.368 2.021 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Cl)nn1 ZINC000877528378 650769505 /nfs/dbraw/zinc/76/95/05/650769505.db2.gz YSWXQBVHHKAJNV-UHFFFAOYSA-N 2 1 279.775 2.157 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Cl)nn1 ZINC000877528378 650769508 /nfs/dbraw/zinc/76/95/08/650769508.db2.gz YSWXQBVHHKAJNV-UHFFFAOYSA-N 2 1 279.775 2.157 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c2OCC3)[C@@H](C)C1 ZINC000921795455 642627169 /nfs/dbraw/zinc/62/71/69/642627169.db2.gz XJFVKBYJCMTFCG-XJKSGUPXSA-N 2 1 274.408 2.441 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c2OCC3)[C@@H](C)C1 ZINC000921795455 642627171 /nfs/dbraw/zinc/62/71/71/642627171.db2.gz XJFVKBYJCMTFCG-XJKSGUPXSA-N 2 1 274.408 2.441 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)s1 ZINC000850393753 642698857 /nfs/dbraw/zinc/69/88/57/642698857.db2.gz VWXFGGXXKRBLLQ-PJXYFTJBSA-N 2 1 251.399 2.093 20 0 CEADMP CCOC(=O)NC1CCC([NH2+][C@@H](C)C[NH+](CC)CC)CC1 ZINC000850431729 642710500 /nfs/dbraw/zinc/71/05/00/642710500.db2.gz INLYFFMFVURSMG-NFOMZHRRSA-N 2 1 299.459 2.364 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)[C@H](c2ccccc2)C1 ZINC000922211685 642960923 /nfs/dbraw/zinc/96/09/23/642960923.db2.gz HXRYISRSIDTCIE-SJORKVTESA-N 2 1 297.402 2.222 20 0 CEADMP CS[C@@H]1CCC[C@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000922273764 642994514 /nfs/dbraw/zinc/99/45/14/642994514.db2.gz KGCRPIBATUSWJI-WCQYABFASA-N 2 1 253.415 2.226 20 0 CEADMP Cc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)o1 ZINC000922385768 643057816 /nfs/dbraw/zinc/05/78/16/643057816.db2.gz DBPCZEBQWUSIDF-NCOADZHNSA-N 2 1 292.423 2.157 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851791136 643162985 /nfs/dbraw/zinc/16/29/85/643162985.db2.gz UHEDLHBVDZWJCH-LSDHHAIUSA-N 2 1 284.444 2.192 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)C[NH+](C)C ZINC000922753300 643243940 /nfs/dbraw/zinc/24/39/40/643243940.db2.gz NYUVDYDCLMUXHZ-CVEARBPZSA-N 2 1 298.471 2.425 20 0 CEADMP CN(C)[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(F)(F)F ZINC000922755063 643245309 /nfs/dbraw/zinc/24/53/09/643245309.db2.gz RMOUWMSAUGQFPU-YNEHKIRRSA-N 2 1 293.377 2.085 20 0 CEADMP CSC(C)(C)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000877635961 650826544 /nfs/dbraw/zinc/82/65/44/650826544.db2.gz IZQMKKIOLQVHCZ-CQSZACIVSA-N 2 1 286.485 2.361 20 0 CEADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)c1ccccc1)C2 ZINC000852106562 643310549 /nfs/dbraw/zinc/31/05/49/643310549.db2.gz BKUKHVOEOWYOSG-IRXDYDNUSA-N 2 1 274.408 2.138 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)c1ccccc1)C2 ZINC000852106562 643310561 /nfs/dbraw/zinc/31/05/61/643310561.db2.gz BKUKHVOEOWYOSG-IRXDYDNUSA-N 2 1 274.408 2.138 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)c1ccccc1)C2 ZINC000852106562 643310565 /nfs/dbraw/zinc/31/05/65/643310565.db2.gz BKUKHVOEOWYOSG-IRXDYDNUSA-N 2 1 274.408 2.138 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)c1ccccc1)C2 ZINC000852106562 643310573 /nfs/dbraw/zinc/31/05/73/643310573.db2.gz BKUKHVOEOWYOSG-IRXDYDNUSA-N 2 1 274.408 2.138 20 0 CEADMP COCC[N@H+](Cc1ccc(C)nc1)CC1CC[NH+](C)CC1 ZINC000877664261 650839703 /nfs/dbraw/zinc/83/97/03/650839703.db2.gz LOUJHICAHRFOTG-UHFFFAOYSA-N 2 1 291.439 2.180 20 0 CEADMP c1c[nH]c([C@@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)n1 ZINC000852750442 643534158 /nfs/dbraw/zinc/53/41/58/643534158.db2.gz VKOZCHBHDPRUOU-INIZCTEOSA-N 2 1 282.391 2.393 20 0 CEADMP c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)n1 ZINC000852750442 643534164 /nfs/dbraw/zinc/53/41/64/643534164.db2.gz VKOZCHBHDPRUOU-INIZCTEOSA-N 2 1 282.391 2.393 20 0 CEADMP CCCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001005992999 643615176 /nfs/dbraw/zinc/61/51/76/643615176.db2.gz XGOYYAPQJOOLSH-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923280011 643637443 /nfs/dbraw/zinc/63/74/43/643637443.db2.gz CXVNJNPPMMRCOL-YJBOKZPZSA-N 2 1 284.403 2.024 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000923289291 643642372 /nfs/dbraw/zinc/64/23/72/643642372.db2.gz ONBNKUMZJKTODP-TZMCWYRMSA-N 2 1 250.361 2.427 20 0 CEADMP C[N@@H+](Cc1csc2ccccc12)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923300126 643645313 /nfs/dbraw/zinc/64/53/13/643645313.db2.gz AXQOHAYTDGUTFE-UBHSHLNASA-N 2 1 276.405 2.184 20 0 CEADMP Cn1c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cnc1Cl ZINC000853092733 643650533 /nfs/dbraw/zinc/65/05/33/643650533.db2.gz KMUZWLIWNBWDNE-CYBMUJFWSA-N 2 1 296.846 2.285 20 0 CEADMP Cn1c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cnc1Cl ZINC000853092733 643650537 /nfs/dbraw/zinc/65/05/37/643650537.db2.gz KMUZWLIWNBWDNE-CYBMUJFWSA-N 2 1 296.846 2.285 20 0 CEADMP COc1ccccc1OCC[N@H+](C)CCC[NH2+]C1CC1 ZINC000923305943 643651724 /nfs/dbraw/zinc/65/17/24/643651724.db2.gz MSOFJHPWTSWGPM-UHFFFAOYSA-N 2 1 278.396 2.148 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923305943 643651727 /nfs/dbraw/zinc/65/17/27/643651727.db2.gz MSOFJHPWTSWGPM-UHFFFAOYSA-N 2 1 278.396 2.148 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316259 643655168 /nfs/dbraw/zinc/65/51/68/643655168.db2.gz GBNBDOBCZDIUOE-RRFJBIMHSA-N 2 1 266.429 2.266 20 0 CEADMP [NH3+]C1(C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CCC1 ZINC000923330956 643660629 /nfs/dbraw/zinc/66/06/29/643660629.db2.gz DUUDFSULCZNHPP-LBPRGKRZSA-N 2 1 289.206 2.498 20 0 CEADMP c1cc(C[NH+]2CCN(CCC[NH2+]C3CC3)CC2)cs1 ZINC000923320447 643660768 /nfs/dbraw/zinc/66/07/68/643660768.db2.gz YSSSLBFPBWEUKD-UHFFFAOYSA-N 2 1 279.453 2.008 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923333102 643665628 /nfs/dbraw/zinc/66/56/28/643665628.db2.gz UBNNNCUXMWBCTO-ZOCIIQOWSA-N 2 1 298.430 2.412 20 0 CEADMP CCCCCC[C@@H](O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923336163 643668309 /nfs/dbraw/zinc/66/83/09/643668309.db2.gz VXFCMNBJXXZUTQ-LSDHHAIUSA-N 2 1 256.434 2.392 20 0 CEADMP C[C@H](O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923341525 643674330 /nfs/dbraw/zinc/67/43/30/643674330.db2.gz LYOANJVVIVUATM-GXTWGEPZSA-N 2 1 280.437 2.073 20 0 CEADMP C[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)[C@H](C[NH3+])C1CC1 ZINC000923356451 643678701 /nfs/dbraw/zinc/67/87/01/643678701.db2.gz INNNXDWNCUXRFX-RTBURBONSA-N 2 1 298.430 2.412 20 0 CEADMP C[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)[C@H](C[NH3+])C1CC1 ZINC000923356451 643678705 /nfs/dbraw/zinc/67/87/05/643678705.db2.gz INNNXDWNCUXRFX-RTBURBONSA-N 2 1 298.430 2.412 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923364297 643679381 /nfs/dbraw/zinc/67/93/81/643679381.db2.gz LZJHXAXGTUVZPJ-BRWVUGGUSA-N 2 1 280.456 2.392 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000923365180 643681096 /nfs/dbraw/zinc/68/10/96/643681096.db2.gz CMVBTLUUMLXEPY-DLBZAZTESA-N 2 1 274.408 2.104 20 0 CEADMP [NH3+]C[C@@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000923373040 643683923 /nfs/dbraw/zinc/68/39/23/643683923.db2.gz KSSSVSNXXPYSKP-CVGRLMLNSA-N 3 1 279.472 2.404 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@H](O)CC1CCCC1)C1CCCCC1 ZINC000923374391 643685517 /nfs/dbraw/zinc/68/55/17/643685517.db2.gz STQDREIWENMADH-HZPDHXFCSA-N 2 1 268.445 2.425 20 0 CEADMP CCc1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000923392196 643691732 /nfs/dbraw/zinc/69/17/32/643691732.db2.gz IFYDVWQAPUIOKD-NWANDNLSSA-N 2 1 293.411 2.098 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000923392528 643691775 /nfs/dbraw/zinc/69/17/75/643691775.db2.gz JSUDTJCQUCEZAD-TWMKSMIVSA-N 2 1 298.471 2.144 20 0 CEADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCc3oc(-c4ccccc4)cc3C2)C1 ZINC000923388533 643694087 /nfs/dbraw/zinc/69/40/87/643694087.db2.gz RWUWFXAAHNVLEE-JYJNAYRXSA-N 2 1 298.386 2.155 20 0 CEADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCc3oc(-c4ccccc4)cc3C2)C1 ZINC000923388533 643694091 /nfs/dbraw/zinc/69/40/91/643694091.db2.gz RWUWFXAAHNVLEE-JYJNAYRXSA-N 2 1 298.386 2.155 20 0 CEADMP CC1(C)CCC(C)(C)[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923398933 643696740 /nfs/dbraw/zinc/69/67/40/643696740.db2.gz OTNSKDBXFWMFCL-CYBMUJFWSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@H]1c1ccccc1 ZINC000923424372 643703962 /nfs/dbraw/zinc/70/39/62/643703962.db2.gz FXDQQBSBSXFBNP-PVAVHDDUSA-N 2 1 286.419 2.448 20 0 CEADMP CC(C)CC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000923427281 643706249 /nfs/dbraw/zinc/70/62/49/643706249.db2.gz IXLDXBVUTPOGHW-UONOGXRCSA-N 2 1 254.418 2.048 20 0 CEADMP c1ccc2c(c1)cccc2CCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461146 643723892 /nfs/dbraw/zinc/72/38/92/643723892.db2.gz MLNSDNVVFJYJAR-UHFFFAOYSA-N 2 1 297.446 2.267 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@H](CC[NH3+])C1)C1CCCCC1 ZINC000923480058 643730680 /nfs/dbraw/zinc/73/06/80/643730680.db2.gz DSJDVLWVRARTBQ-ZFWWWQNUSA-N 2 1 254.418 2.252 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCc2cccc3c2OC(F)(F)O3)C1 ZINC000923479151 643731300 /nfs/dbraw/zinc/73/13/00/643731300.db2.gz MQAHUYAFAQUOBQ-LLVKDONJSA-N 2 1 298.333 2.221 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487949 643732123 /nfs/dbraw/zinc/73/21/23/643732123.db2.gz OMOXAFHGMNORJB-NEPJUHHUSA-N 2 1 295.814 2.338 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487949 643732127 /nfs/dbraw/zinc/73/21/27/643732127.db2.gz OMOXAFHGMNORJB-NEPJUHHUSA-N 2 1 295.814 2.338 20 0 CEADMP CO[C@@H](C)c1nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cs1 ZINC000923482940 643732237 /nfs/dbraw/zinc/73/22/37/643732237.db2.gz JMFMWPRWLNALTK-WDEREUQCSA-N 2 1 269.414 2.021 20 0 CEADMP CO[C@@H](C)c1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cs1 ZINC000923482940 643732249 /nfs/dbraw/zinc/73/22/49/643732249.db2.gz JMFMWPRWLNALTK-WDEREUQCSA-N 2 1 269.414 2.021 20 0 CEADMP C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2)CC[C@@H]1C[NH3+] ZINC000923495825 643734194 /nfs/dbraw/zinc/73/41/94/643734194.db2.gz FKXGHHSQQBXXKP-QWHCGFSZSA-N 2 1 293.386 2.071 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923492047 643735909 /nfs/dbraw/zinc/73/59/09/643735909.db2.gz MVUYJLOYIOLKKA-DZGCQCFKSA-N 2 1 289.423 2.247 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccc(Br)cn2)CC[C@H]1C[NH3+] ZINC000923493558 643737206 /nfs/dbraw/zinc/73/72/06/643737206.db2.gz IMZDDKRXIUYRTL-QWRGUYRKSA-N 2 1 298.228 2.261 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(Br)cn2)CC[C@H]1C[NH3+] ZINC000923493558 643737210 /nfs/dbraw/zinc/73/72/10/643737210.db2.gz IMZDDKRXIUYRTL-QWRGUYRKSA-N 2 1 298.228 2.261 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502383 643738572 /nfs/dbraw/zinc/73/85/72/643738572.db2.gz WSUSZQOHSOZSTG-TZMCWYRMSA-N 2 1 272.396 2.059 20 0 CEADMP CCc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503240 643739421 /nfs/dbraw/zinc/73/94/21/643739421.db2.gz HZKCPHMASLNGEI-HIFRSBDPSA-N 2 1 289.423 2.104 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(F)ccc2F)CC[C@H]1C[NH3+] ZINC000923497642 643739518 /nfs/dbraw/zinc/73/95/18/643739518.db2.gz HXTVQYZICVVUPW-QWRGUYRKSA-N 2 1 254.324 2.382 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)nc2)CC[C@@H]1C[NH3+] ZINC000923497648 643739549 /nfs/dbraw/zinc/73/95/49/643739549.db2.gz IBPYDTBRGZRTJF-CMPLNLGQSA-N 2 1 253.777 2.152 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c(F)cccc2F)CC[C@H]1C[NH3+] ZINC000923501167 643741776 /nfs/dbraw/zinc/74/17/76/643741776.db2.gz XXSORPOLWCUSEZ-MNOVXSKESA-N 2 1 254.324 2.382 20 0 CEADMP c1ccc([C@H]2CC[C@@H](C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)O2)cc1 ZINC000923515715 643746905 /nfs/dbraw/zinc/74/69/05/643746905.db2.gz KXOKFIQBWIYRIH-XWTMOSNGSA-N 2 1 286.419 2.448 20 0 CEADMP O[C@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(F)cc1Cl ZINC000923515757 643746944 /nfs/dbraw/zinc/74/69/44/643746944.db2.gz LGRMLGRHRYAVAN-FIXISWKDSA-N 2 1 298.789 2.054 20 0 CEADMP O[C@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(F)cc1Cl ZINC000923515757 643746949 /nfs/dbraw/zinc/74/69/49/643746949.db2.gz LGRMLGRHRYAVAN-FIXISWKDSA-N 2 1 298.789 2.054 20 0 CEADMP Fc1ccc(OCCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923518437 643748439 /nfs/dbraw/zinc/74/84/39/643748439.db2.gz GKAHIVRUPVWMBD-UONOGXRCSA-N 2 1 278.371 2.136 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923520657 643749227 /nfs/dbraw/zinc/74/92/27/643749227.db2.gz HHQFRRWZLLULNP-JKSUJKDBSA-N 2 1 274.408 2.224 20 0 CEADMP Cc1cc(CO)cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)[nH+]1 ZINC000853411602 643765699 /nfs/dbraw/zinc/76/56/99/643765699.db2.gz OMRYZJILCVBVEA-KGLIPLIRSA-N 2 1 263.385 2.167 20 0 CEADMP CN(C)c1cc[nH+]c(NCC2CC[NH+](CC3CC3)CC2)n1 ZINC000853985803 643962421 /nfs/dbraw/zinc/96/24/21/643962421.db2.gz VKENHPBNUYGWOM-UHFFFAOYSA-N 2 1 289.427 2.077 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000838845273 644043511 /nfs/dbraw/zinc/04/35/11/644043511.db2.gz NFBZGGQFXMSKBC-OAHLLOKOSA-N 2 1 296.455 2.384 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)ncc2F)C1 ZINC000839182807 644182709 /nfs/dbraw/zinc/18/27/09/644182709.db2.gz PNWSLKZWHUDKAE-LLVKDONJSA-N 2 1 269.339 2.181 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2C[C@@H]2C)cn1 ZINC000754131303 644328403 /nfs/dbraw/zinc/32/84/03/644328403.db2.gz VHZIRMBTHMWBNH-FZMZJTMJSA-N 2 1 256.353 2.321 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113512967 644415783 /nfs/dbraw/zinc/41/57/83/644415783.db2.gz DHIXJZITGBCCCR-HNNXBMFYSA-N 2 1 262.397 2.257 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113512967 644415788 /nfs/dbraw/zinc/41/57/88/644415788.db2.gz DHIXJZITGBCCCR-HNNXBMFYSA-N 2 1 262.397 2.257 20 0 CEADMP Cc1cnc(=S)n(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000758328007 644918245 /nfs/dbraw/zinc/91/82/45/644918245.db2.gz ULNRQUQHTDSXTH-UHFFFAOYSA-N 2 1 280.441 2.152 20 0 CEADMP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000857868927 644989133 /nfs/dbraw/zinc/98/91/33/644989133.db2.gz GMTKQGVKIGMMSP-JSGCOSHPSA-N 2 1 262.401 2.109 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000857868927 644989132 /nfs/dbraw/zinc/98/91/32/644989132.db2.gz GMTKQGVKIGMMSP-JSGCOSHPSA-N 2 1 262.401 2.109 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000857868927 644989136 /nfs/dbraw/zinc/98/91/36/644989136.db2.gz GMTKQGVKIGMMSP-JSGCOSHPSA-N 2 1 262.401 2.109 20 0 CEADMP COc1ccc([C@@H](O)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858092934 645058270 /nfs/dbraw/zinc/05/82/70/645058270.db2.gz NRDJPSKWHYJNQR-HOCLYGCPSA-N 2 1 292.423 2.191 20 0 CEADMP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000858507718 645185514 /nfs/dbraw/zinc/18/55/14/645185514.db2.gz KRSZFUBKYWENQC-ZJIFWQFVSA-N 2 1 292.423 2.101 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNc1cc[nH+]c(CO)c1 ZINC000858521696 645189826 /nfs/dbraw/zinc/18/98/26/645189826.db2.gz USHSEFCARSOBOC-AWEZNQCLSA-N 2 1 263.385 2.106 20 0 CEADMP C([C@H]1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1)[NH+]1CCCC1 ZINC000878126293 651008073 /nfs/dbraw/zinc/00/80/73/651008073.db2.gz WRMPTVTVEATNAN-CVEARBPZSA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+](C[C@@H]1CCC2(CCC2)O1)C[C@H]1CCC[N@@H+](C)C1 ZINC000878124397 651007137 /nfs/dbraw/zinc/00/71/37/651007137.db2.gz HIXAZRNUPZPNGO-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000878165411 651021663 /nfs/dbraw/zinc/02/16/63/651021663.db2.gz YMZDVJRNWKJHHQ-KBMXLJTQSA-N 2 1 266.429 2.360 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000878165411 651021666 /nfs/dbraw/zinc/02/16/66/651021666.db2.gz YMZDVJRNWKJHHQ-KBMXLJTQSA-N 2 1 266.429 2.360 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H](C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000765255015 645749114 /nfs/dbraw/zinc/74/91/14/645749114.db2.gz NYXXQYOKRVDYOV-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CCCCC2)[C@@H](C)C1 ZINC000765255015 645749115 /nfs/dbraw/zinc/74/91/15/645749115.db2.gz NYXXQYOKRVDYOV-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CCCCC2)[C@@H](C)C1 ZINC000765255015 645749118 /nfs/dbraw/zinc/74/91/18/645749118.db2.gz NYXXQYOKRVDYOV-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCOC1 ZINC000765973189 645829788 /nfs/dbraw/zinc/82/97/88/645829788.db2.gz DMIDPSYHOCPFTG-XIRDDKMYSA-N 2 1 296.455 2.035 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2CCCO2)cc1 ZINC000768249609 646100722 /nfs/dbraw/zinc/10/07/22/646100722.db2.gz VYIIOIMQLLADNC-MRXNPFEDSA-N 2 1 262.397 2.359 20 0 CEADMP C([NH2+][C@H]1CCCSC1)C1([NH+]2CCCC2)CCOCC1 ZINC000769013841 646192747 /nfs/dbraw/zinc/19/27/47/646192747.db2.gz URTSIUJTVCGQNS-AWEZNQCLSA-N 2 1 284.469 2.117 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cn[nH]c2)cc1 ZINC000769425378 646265075 /nfs/dbraw/zinc/26/50/75/646265075.db2.gz PEDYVWYFBGEIFM-UHFFFAOYSA-N 2 1 258.369 2.103 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC000769513846 646280546 /nfs/dbraw/zinc/28/05/46/646280546.db2.gz GJNBIKBWLAFRGZ-HNNXBMFYSA-N 2 1 274.408 2.490 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)COC3)C1 ZINC000769513846 646280548 /nfs/dbraw/zinc/28/05/48/646280548.db2.gz GJNBIKBWLAFRGZ-HNNXBMFYSA-N 2 1 274.408 2.490 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000769513846 646280550 /nfs/dbraw/zinc/28/05/50/646280550.db2.gz GJNBIKBWLAFRGZ-HNNXBMFYSA-N 2 1 274.408 2.490 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000769513846 646280558 /nfs/dbraw/zinc/28/05/58/646280558.db2.gz GJNBIKBWLAFRGZ-HNNXBMFYSA-N 2 1 274.408 2.490 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cnc(C)s2)[C@H](C)C1 ZINC000773079846 646704049 /nfs/dbraw/zinc/70/40/49/646704049.db2.gz DOCKVXRDOOBJQF-BXUZGUMPSA-N 2 1 267.442 2.314 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000775378325 646947230 /nfs/dbraw/zinc/94/72/30/646947230.db2.gz KKDOJXAWAVHEJK-SYQHCUMBSA-N 2 1 286.510 2.297 20 0 CEADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cnc1Cl ZINC000776256110 647043106 /nfs/dbraw/zinc/04/31/06/647043106.db2.gz BFDQVHFBXLKZGJ-UHFFFAOYSA-N 2 1 265.788 2.395 20 0 CEADMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)Cc1ccsc1 ZINC000778372641 647224263 /nfs/dbraw/zinc/22/42/63/647224263.db2.gz CPJLGELFIPELRH-HOCLYGCPSA-N 2 1 296.480 2.458 20 0 CEADMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)Cc1ccsc1 ZINC000778372641 647224266 /nfs/dbraw/zinc/22/42/66/647224266.db2.gz CPJLGELFIPELRH-HOCLYGCPSA-N 2 1 296.480 2.458 20 0 CEADMP C[C@@H](CCO)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000779342075 647314239 /nfs/dbraw/zinc/31/42/39/647314239.db2.gz SNEXMPUSSSIVNS-HOCLYGCPSA-N 2 1 268.445 2.392 20 0 CEADMP Cc1cc(N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c2ccccc2[nH+]1 ZINC000865998387 647566719 /nfs/dbraw/zinc/56/67/19/647566719.db2.gz FQISLZYRZKDWMQ-AWEZNQCLSA-N 2 1 299.418 2.222 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000782185508 647597206 /nfs/dbraw/zinc/59/72/06/647597206.db2.gz XZWWGUVFAKEKSB-HNNXBMFYSA-N 2 1 276.428 2.071 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4c(O)cccc34)CC[C@H]21 ZINC000866208247 647672266 /nfs/dbraw/zinc/67/22/66/647672266.db2.gz LKFDRUHTAWTENZ-TZMCWYRMSA-N 2 1 283.375 2.471 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000866539395 647820192 /nfs/dbraw/zinc/82/01/92/647820192.db2.gz LIEZCCXTMAKYEM-YOEHRIQHSA-N 2 1 278.440 2.266 20 0 CEADMP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)CCC[NH3+] ZINC000866660206 647859573 /nfs/dbraw/zinc/85/95/73/647859573.db2.gz DGMAUEJLOGRDEJ-HNNXBMFYSA-N 2 1 277.412 2.017 20 0 CEADMP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)CCC[NH3+] ZINC000866660206 647859574 /nfs/dbraw/zinc/85/95/74/647859574.db2.gz DGMAUEJLOGRDEJ-HNNXBMFYSA-N 2 1 277.412 2.017 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784569784 647864419 /nfs/dbraw/zinc/86/44/19/647864419.db2.gz BJJVHEPZXYOLNO-HNNXBMFYSA-N 2 1 293.411 2.057 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784569784 647864420 /nfs/dbraw/zinc/86/44/20/647864420.db2.gz BJJVHEPZXYOLNO-HNNXBMFYSA-N 2 1 293.411 2.057 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706382 647876980 /nfs/dbraw/zinc/87/69/80/647876980.db2.gz HRDFAUXITLWQQB-INIZCTEOSA-N 2 1 284.444 2.417 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2CN2CCCCC2)CC1 ZINC000788482755 648192684 /nfs/dbraw/zinc/19/26/84/648192684.db2.gz NODDXMZJYSVRFA-KRWDZBQOSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC(CN2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000788482755 648192690 /nfs/dbraw/zinc/19/26/90/648192690.db2.gz NODDXMZJYSVRFA-KRWDZBQOSA-N 2 1 279.472 2.279 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000870867608 648937726 /nfs/dbraw/zinc/93/77/26/648937726.db2.gz SJWCYIMAOIUFED-ARFHVFGLSA-N 2 1 295.471 2.132 20 0 CEADMP Cc1ncsc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784366 649184384 /nfs/dbraw/zinc/18/43/84/649184384.db2.gz BSPNQSSHEQDHIS-YOGCLGLASA-N 2 1 294.424 2.323 20 0 CEADMP Cc1ncsc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784366 649184387 /nfs/dbraw/zinc/18/43/87/649184387.db2.gz BSPNQSSHEQDHIS-YOGCLGLASA-N 2 1 294.424 2.323 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872141461 649290727 /nfs/dbraw/zinc/29/07/27/649290727.db2.gz HFYZJZQDPBBIDS-ALEMQFKUSA-N 2 1 264.413 2.288 20 0 CEADMP C[NH2+]CCCN1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000872146325 649296509 /nfs/dbraw/zinc/29/65/09/649296509.db2.gz LJQRVZFHBUIFNH-ZDUSSCGKSA-N 2 1 264.417 2.322 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872146325 649296511 /nfs/dbraw/zinc/29/65/11/649296511.db2.gz LJQRVZFHBUIFNH-ZDUSSCGKSA-N 2 1 264.417 2.322 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872146325 649296514 /nfs/dbraw/zinc/29/65/14/649296514.db2.gz LJQRVZFHBUIFNH-ZDUSSCGKSA-N 2 1 264.417 2.322 20 0 CEADMP c1ccc2c(c1)CC[C@@]21CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000872146333 649296695 /nfs/dbraw/zinc/29/66/95/649296695.db2.gz LMFCIMTVEUGHPB-AEFFLSMTSA-N 2 1 298.430 2.097 20 0 CEADMP Cc1csc([C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000872148180 649296857 /nfs/dbraw/zinc/29/68/57/649296857.db2.gz NZFVQZPKCGMPAI-QWHCGFSZSA-N 2 1 265.426 2.240 20 0 CEADMP Cc1cc(C)c(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(C)n1 ZINC000872153898 649297575 /nfs/dbraw/zinc/29/75/75/649297575.db2.gz JKIOIGJRZFGYRZ-GOEBONIOSA-N 2 1 259.397 2.048 20 0 CEADMP Cc1cc(C)c(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(C)n1 ZINC000872153898 649297579 /nfs/dbraw/zinc/29/75/79/649297579.db2.gz JKIOIGJRZFGYRZ-GOEBONIOSA-N 2 1 259.397 2.048 20 0 CEADMP Cc1noc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156286 649299600 /nfs/dbraw/zinc/29/96/00/649299600.db2.gz HLAPFYZFLDXKIQ-HIFRSBDPSA-N 2 1 292.427 2.498 20 0 CEADMP Cc1noc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156286 649299601 /nfs/dbraw/zinc/29/96/01/649299601.db2.gz HLAPFYZFLDXKIQ-HIFRSBDPSA-N 2 1 292.427 2.498 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1)OC ZINC000872158963 649300095 /nfs/dbraw/zinc/30/00/95/649300095.db2.gz ZMWIRXDQHKSBLZ-XIRDDKMYSA-N 2 1 298.471 2.267 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)CC[NH2+]C1 ZINC000872257092 649330532 /nfs/dbraw/zinc/33/05/32/649330532.db2.gz KYQKRXAKNCZBHU-HZPDHXFCSA-N 2 1 266.429 2.410 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)c2C1 ZINC000872281988 649342803 /nfs/dbraw/zinc/34/28/03/649342803.db2.gz YQKLUAUCCNSDBF-GLJUWKHASA-N 2 1 299.418 2.478 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)c2C1 ZINC000872281988 649342804 /nfs/dbraw/zinc/34/28/04/649342804.db2.gz YQKLUAUCCNSDBF-GLJUWKHASA-N 2 1 299.418 2.478 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200757 649586353 /nfs/dbraw/zinc/58/63/53/649586353.db2.gz FRIXEDPUGNUGSQ-AWEZNQCLSA-N 3 1 281.469 2.199 20 0 CEADMP CC(C)[C@@H]([NH3+])CCN(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200757 649586356 /nfs/dbraw/zinc/58/63/56/649586356.db2.gz FRIXEDPUGNUGSQ-AWEZNQCLSA-N 2 1 281.469 2.199 20 0 CEADMP Cc1ccc(CCC[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cn1 ZINC000873231660 649602897 /nfs/dbraw/zinc/60/28/97/649602897.db2.gz QOMAOBQSKFHYOW-CVEARBPZSA-N 2 1 259.397 2.197 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)[C@H]1CCCOC1 ZINC000873238280 649605376 /nfs/dbraw/zinc/60/53/76/649605376.db2.gz YXRCZVPVGSYZNI-MELADBBJSA-N 2 1 254.418 2.169 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1noc2ccc(F)cc12 ZINC000873250569 649609481 /nfs/dbraw/zinc/60/94/81/649609481.db2.gz ROCRSQAWJZJSMD-JOYOIKCWSA-N 2 1 263.316 2.184 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@H]1CCCC[NH2+]1 ZINC000873281666 649624244 /nfs/dbraw/zinc/62/42/44/649624244.db2.gz OIXKICCCDWHROZ-BTFPBAQTSA-N 2 1 252.402 2.064 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CCC2(CCOCC2)O1 ZINC000878549526 651127135 /nfs/dbraw/zinc/12/71/35/651127135.db2.gz HDMKRHZGPOBUGB-MRXNPFEDSA-N 2 1 296.455 2.132 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCC2(CCOCC2)O1 ZINC000878549526 651127137 /nfs/dbraw/zinc/12/71/37/651127137.db2.gz HDMKRHZGPOBUGB-MRXNPFEDSA-N 2 1 296.455 2.132 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CC4(CCC4)CO3)C2)C1 ZINC000878652831 651153331 /nfs/dbraw/zinc/15/33/31/651153331.db2.gz UEPYKSRTDNOWNK-RDJZCZTQSA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CC4(CCC4)CO3)C2)C1 ZINC000878652831 651153332 /nfs/dbraw/zinc/15/33/32/651153332.db2.gz UEPYKSRTDNOWNK-RDJZCZTQSA-N 2 1 278.440 2.363 20 0 CEADMP C=C/C=C\CC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000878671081 651159822 /nfs/dbraw/zinc/15/98/22/651159822.db2.gz ZAZFJSAYJOKAMG-WAYWQWQTSA-N 2 1 266.429 2.191 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000879579582 651325634 /nfs/dbraw/zinc/32/56/34/651325634.db2.gz ADHPXMMIDNRKTF-IMJJTQAJSA-N 2 1 294.826 2.399 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000879579582 651325635 /nfs/dbraw/zinc/32/56/35/651325635.db2.gz ADHPXMMIDNRKTF-IMJJTQAJSA-N 2 1 294.826 2.399 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](C[C@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000879579582 651325636 /nfs/dbraw/zinc/32/56/36/651325636.db2.gz ADHPXMMIDNRKTF-IMJJTQAJSA-N 2 1 294.826 2.399 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000879579582 651325637 /nfs/dbraw/zinc/32/56/37/651325637.db2.gz ADHPXMMIDNRKTF-IMJJTQAJSA-N 2 1 294.826 2.399 20 0 CEADMP Cc1nccn1CC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703962 651341716 /nfs/dbraw/zinc/34/17/16/651341716.db2.gz HMVBFKXMODPAGD-UHFFFAOYSA-N 2 1 292.471 2.491 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703962 651341718 /nfs/dbraw/zinc/34/17/18/651341718.db2.gz HMVBFKXMODPAGD-UHFFFAOYSA-N 3 1 292.471 2.491 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703962 651341721 /nfs/dbraw/zinc/34/17/21/651341721.db2.gz HMVBFKXMODPAGD-UHFFFAOYSA-N 3 1 292.471 2.491 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000880040998 651377851 /nfs/dbraw/zinc/37/78/51/651377851.db2.gz MIKCYOMEJNPIGQ-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000880040998 651377852 /nfs/dbraw/zinc/37/78/52/651377852.db2.gz MIKCYOMEJNPIGQ-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000880040998 651377854 /nfs/dbraw/zinc/37/78/54/651377854.db2.gz MIKCYOMEJNPIGQ-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP Cc1cccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)n1 ZINC000880258343 651411376 /nfs/dbraw/zinc/41/13/76/651411376.db2.gz GIEFCKMUCVLQCU-OAHLLOKOSA-N 2 1 282.391 2.496 20 0 CEADMP Cc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)n1 ZINC000880258343 651411377 /nfs/dbraw/zinc/41/13/77/651411377.db2.gz GIEFCKMUCVLQCU-OAHLLOKOSA-N 2 1 282.391 2.496 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(N)c2)CCN1c1cc[nH+]cc1 ZINC000880259455 651411545 /nfs/dbraw/zinc/41/15/45/651411545.db2.gz TXACDPKBCBUHRD-AWEZNQCLSA-N 2 1 282.391 2.375 20 0 CEADMP C[C@@H]1C[N@@H+](CCOC(C)(C)C)CCN1c1cc[nH+]cc1 ZINC000880259007 651411760 /nfs/dbraw/zinc/41/17/60/651411760.db2.gz GFQNSMDTKOITEA-CQSZACIVSA-N 2 1 277.412 2.407 20 0 CEADMP COCCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258963 651411863 /nfs/dbraw/zinc/41/18/63/651411863.db2.gz FKMAVZOHULCXBU-AWEZNQCLSA-N 2 1 263.385 2.019 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2ccncc2)CCN1c1cc[nH+]cc1 ZINC000880260977 651412030 /nfs/dbraw/zinc/41/20/30/651412030.db2.gz RSTBKQCJVDUCBA-OAHLLOKOSA-N 2 1 282.391 2.230 20 0 CEADMP CC(C)COCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260193 651412089 /nfs/dbraw/zinc/41/20/89/651412089.db2.gz NUUZEHVUBYVGRY-HNNXBMFYSA-N 2 1 277.412 2.265 20 0 CEADMP FC[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000880299522 651419153 /nfs/dbraw/zinc/41/91/53/651419153.db2.gz IBQQMLSIROEWKI-QGZVFWFLSA-N 2 1 292.398 2.310 20 0 CEADMP FC[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000880299522 651419154 /nfs/dbraw/zinc/41/91/54/651419154.db2.gz IBQQMLSIROEWKI-QGZVFWFLSA-N 2 1 292.398 2.310 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC(C)([NH+]2CCC2)CC1 ZINC000880473720 651447027 /nfs/dbraw/zinc/44/70/27/651447027.db2.gz MCBZTMDZGASPEZ-HNNXBMFYSA-N 2 1 265.445 2.031 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000882941370 652280024 /nfs/dbraw/zinc/28/00/24/652280024.db2.gz PIXBDRMTTKBXBM-ZDUSSCGKSA-N 2 1 290.363 2.206 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000882941370 652280030 /nfs/dbraw/zinc/28/00/30/652280030.db2.gz PIXBDRMTTKBXBM-ZDUSSCGKSA-N 2 1 290.363 2.206 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883177847 652390049 /nfs/dbraw/zinc/39/00/49/652390049.db2.gz JUZRHYRUZURQBK-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP CC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC(F)(F)C1 ZINC000883256527 652416338 /nfs/dbraw/zinc/41/63/38/652416338.db2.gz AFMUGAVZFZWARL-ZDUSSCGKSA-N 2 1 288.382 2.265 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CC[N@@H+]1C ZINC000883364268 652445408 /nfs/dbraw/zinc/44/54/08/652445408.db2.gz BOKICPLOISVZJL-TUVASFSCSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CC[N@H+]1C ZINC000883364268 652445410 /nfs/dbraw/zinc/44/54/10/652445410.db2.gz BOKICPLOISVZJL-TUVASFSCSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883416211 652462277 /nfs/dbraw/zinc/46/22/77/652462277.db2.gz PFFNDNLNVFWDII-HRCADAONSA-N 2 1 296.455 2.164 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883416211 652462280 /nfs/dbraw/zinc/46/22/80/652462280.db2.gz PFFNDNLNVFWDII-HRCADAONSA-N 2 1 296.455 2.164 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000883427382 652466054 /nfs/dbraw/zinc/46/60/54/652466054.db2.gz QEBBSEXFPJSXTA-CVEARBPZSA-N 2 1 296.455 2.023 20 0 CEADMP C[NH2+]CCC[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000883461800 652477971 /nfs/dbraw/zinc/47/79/71/652477971.db2.gz DKJIUACYRSQUST-HNNXBMFYSA-N 2 1 259.397 2.081 20 0 CEADMP Cc1n[nH]c(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000885924844 653069673 /nfs/dbraw/zinc/06/96/73/653069673.db2.gz WOWRHIWNZKKTEY-STQMWFEESA-N 2 1 278.444 2.484 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000715064548 814926155 /nfs/dbraw/zinc/92/61/55/814926155.db2.gz WDHDLHBIPBOVHA-ARFHVFGLSA-N 2 1 266.429 2.002 20 0 CEADMP C[C@H]1CC([NH+]2CC(CO)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051374 805932338 /nfs/dbraw/zinc/93/23/38/805932338.db2.gz IAVCLXOLAAPVNN-GJZGRUSLSA-N 2 1 288.435 2.352 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC=C(C)C)C1 ZINC001271539401 805987688 /nfs/dbraw/zinc/98/76/88/805987688.db2.gz ISDLJVMVAOPTJR-HZPDHXFCSA-N 2 1 295.471 2.121 20 0 CEADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1 ZINC001168130994 806255316 /nfs/dbraw/zinc/25/53/16/806255316.db2.gz KIYZBTUCTHTQTI-OIISXLGYSA-N 2 1 296.455 2.129 20 0 CEADMP CC1(Nc2[nH+]cnc3[nH]c4c(c32)CCCC4)CC[NH2+]CC1 ZINC001168184322 806382154 /nfs/dbraw/zinc/38/21/54/806382154.db2.gz XQKNSLAZFQXPND-UHFFFAOYSA-N 2 1 285.395 2.391 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([N@@H+](C)C1CCC([NH3+])CC1)C2 ZINC001168248654 806442020 /nfs/dbraw/zinc/44/20/20/806442020.db2.gz ODVIJGUWUMQEMN-GPANFISMSA-N 2 1 274.408 2.364 20 0 CEADMP CN1CCC([N@@H+](C)Cc2cncc(Br)c2)CC1 ZINC000168396504 806459883 /nfs/dbraw/zinc/45/98/83/806459883.db2.gz VRRTWEUNNJVYTB-UHFFFAOYSA-N 2 1 298.228 2.370 20 0 CEADMP C[NH+](C)C1CCC([NH2+]CC(=O)OCc2ccccc2)CC1 ZINC001168294690 806632239 /nfs/dbraw/zinc/63/22/39/806632239.db2.gz BIMYGGMFQOCBOF-UHFFFAOYSA-N 2 1 290.407 2.192 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)C1CCC([NH+](C)C)CC1 ZINC001168328794 806658091 /nfs/dbraw/zinc/65/80/91/806658091.db2.gz KLFYWDROSBIFEI-UHFFFAOYSA-N 3 1 255.450 2.133 20 0 CEADMP CC[N@H+](CCCN(C)C)C1CCC([NH+](C)C)CC1 ZINC001168328794 806658095 /nfs/dbraw/zinc/65/80/95/806658095.db2.gz KLFYWDROSBIFEI-UHFFFAOYSA-N 2 1 255.450 2.133 20 0 CEADMP CC[N@@H+](CCCN(C)C)C1CCC([NH+](C)C)CC1 ZINC001168328794 806658098 /nfs/dbraw/zinc/65/80/98/806658098.db2.gz KLFYWDROSBIFEI-UHFFFAOYSA-N 2 1 255.450 2.133 20 0 CEADMP CC[N@@H+](CCn1ccnc1)C1CCC([NH+](C)C)CC1 ZINC001168328455 806658648 /nfs/dbraw/zinc/65/86/48/806658648.db2.gz HBCLTYHYLACVST-UHFFFAOYSA-N 2 1 264.417 2.078 20 0 CEADMP C[NH+](C)C1CCC([NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001168330598 806659337 /nfs/dbraw/zinc/65/93/37/806659337.db2.gz SYWKYVOJSXLTNR-UHFFFAOYSA-N 3 1 265.445 2.029 20 0 CEADMP CCCCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168344452 806667522 /nfs/dbraw/zinc/66/75/22/806667522.db2.gz BWOCLTKCVJANIY-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP Cc1cc(C)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(=O)[nH]1 ZINC001168351085 806670352 /nfs/dbraw/zinc/67/03/52/806670352.db2.gz BWOCGZIRISBJSM-UHFFFAOYSA-N 2 1 289.423 2.368 20 0 CEADMP Oc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168353944 806674194 /nfs/dbraw/zinc/67/41/94/806674194.db2.gz WWKFWFTYJJJLAZ-UHFFFAOYSA-N 2 1 260.381 2.356 20 0 CEADMP C(C1CCC1)[N@@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168365669 806772854 /nfs/dbraw/zinc/77/28/54/806772854.db2.gz CWJYXCQPBIRLAE-SFHVURJKSA-N 2 1 291.483 2.325 20 0 CEADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC000692932226 802316420 /nfs/dbraw/zinc/31/64/20/802316420.db2.gz HNIZGQHRTHOOJT-AVOUXACISA-N 2 1 259.397 2.400 20 0 CEADMP CC(=O)Oc1c[nH]c2cc(NC(=[NH2+])SCC[NH3+])ccc21 ZINC001167912435 802319173 /nfs/dbraw/zinc/31/91/73/802319173.db2.gz OAKJMFCGGJGFCB-UHFFFAOYSA-N 2 1 292.364 2.132 20 0 CEADMP C[NH+](C)CCN1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001208129897 802349378 /nfs/dbraw/zinc/34/93/78/802349378.db2.gz MJEOOTCEDOGWLT-UHFFFAOYSA-N 2 1 293.430 2.284 20 0 CEADMP CCC[N@H+](C[C@H]1CCC[NH+](C)C1)C1CCN(C(C)=O)CC1 ZINC001208612017 802389678 /nfs/dbraw/zinc/38/96/78/802389678.db2.gz AACXJWTUPNANEH-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C1CCN(C(C)=O)CC1 ZINC001208612017 802389685 /nfs/dbraw/zinc/38/96/85/802389685.db2.gz AACXJWTUPNANEH-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C[C@H]1CCC[N@H+](C)C1)C1CCN(C(C)=O)CC1 ZINC001208612017 802389694 /nfs/dbraw/zinc/38/96/94/802389694.db2.gz AACXJWTUPNANEH-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C1CCN(C(C)=O)CC1 ZINC001208612017 802389703 /nfs/dbraw/zinc/38/97/03/802389703.db2.gz AACXJWTUPNANEH-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](CCC(=O)OC)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001208786662 802414348 /nfs/dbraw/zinc/41/43/48/802414348.db2.gz SCIVWXQZBXUZQI-HNNXBMFYSA-N 2 1 296.455 2.384 20 0 CEADMP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266308225 802424612 /nfs/dbraw/zinc/42/46/12/802424612.db2.gz RSXSNSLZXGBGDG-LGZALOBFSA-N 2 1 293.455 2.018 20 0 CEADMP CCC/C=C\CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266308225 802424617 /nfs/dbraw/zinc/42/46/17/802424617.db2.gz RSXSNSLZXGBGDG-LGZALOBFSA-N 2 1 293.455 2.018 20 0 CEADMP CCC/C=C\CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266308225 802424622 /nfs/dbraw/zinc/42/46/22/802424622.db2.gz RSXSNSLZXGBGDG-LGZALOBFSA-N 2 1 293.455 2.018 20 0 CEADMP C[N@@H+](C1CCOCC1)C1CCN(C[C@H]2CCC=CO2)CC1 ZINC001208879045 802425907 /nfs/dbraw/zinc/42/59/07/802425907.db2.gz CQOXVUDTCQDJIM-QGZVFWFLSA-N 2 1 294.439 2.254 20 0 CEADMP C[N@H+](C1CCOCC1)C1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC001208879045 802425912 /nfs/dbraw/zinc/42/59/12/802425912.db2.gz CQOXVUDTCQDJIM-QGZVFWFLSA-N 2 1 294.439 2.254 20 0 CEADMP C[N@@H+](C1CCOCC1)C1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC001208879045 802425914 /nfs/dbraw/zinc/42/59/14/802425914.db2.gz CQOXVUDTCQDJIM-QGZVFWFLSA-N 2 1 294.439 2.254 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665418 802505729 /nfs/dbraw/zinc/50/57/29/802505729.db2.gz BJUOZGKZEQNXJF-XGXHKWSGSA-N 2 1 299.462 2.191 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000693011114 802528268 /nfs/dbraw/zinc/52/82/68/802528268.db2.gz WAPJJNBRVUJUNX-ZBFHGGJFSA-N 2 1 262.397 2.042 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)CCC[NH2+]C1 ZINC000704259463 809726629 /nfs/dbraw/zinc/72/66/29/809726629.db2.gz JSIMQKOMIGXWMC-HZSPNIEDSA-N 2 1 254.443 2.346 20 0 CEADMP COc1cc2[nH+]ccn2cc1-n1ccc2cc(C[NH3+])cnc21 ZINC001167316422 802679386 /nfs/dbraw/zinc/67/93/86/802679386.db2.gz VFQJUWZXSLFWIG-UHFFFAOYSA-N 2 1 293.330 2.141 20 0 CEADMP COc1c[nH+]ccc1Nc1ccc2c(c1)C[N@H+](C)CC2 ZINC001211265380 802806005 /nfs/dbraw/zinc/80/60/05/802806005.db2.gz WKEAWNYOEAZIAT-UHFFFAOYSA-N 2 1 269.348 2.244 20 0 CEADMP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001266695055 802846788 /nfs/dbraw/zinc/84/67/88/802846788.db2.gz JHPSVXDJENGYTP-IPUTUCIWSA-N 2 1 293.455 2.064 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001266703972 802850735 /nfs/dbraw/zinc/85/07/35/802850735.db2.gz VBMCIZRITBTERE-QLFBSQMISA-N 2 1 295.471 2.144 20 0 CEADMP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723695881 802925079 /nfs/dbraw/zinc/92/50/79/802925079.db2.gz PZMJOEHBEZEHEH-GFCCVEGCSA-N 2 1 295.814 2.258 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000723699260 802925414 /nfs/dbraw/zinc/92/54/14/802925414.db2.gz QKCCUOSAPJXDII-GFCCVEGCSA-N 2 1 270.323 2.459 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c(Cl)n1 ZINC000723708054 802927073 /nfs/dbraw/zinc/92/70/73/802927073.db2.gz AVEYWAPLVYKQHC-NSHDSACASA-N 2 1 253.777 2.214 20 0 CEADMP COC1CCC(n2c[nH+]cc2C2CC[NH2+]CC2)CC1 ZINC000707456463 802951949 /nfs/dbraw/zinc/95/19/49/802951949.db2.gz NVQSDIJYTOIKJG-UHFFFAOYSA-N 2 1 263.385 2.480 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccnc2Cl)C[C@H]1CC[NH3+] ZINC000723895203 802965883 /nfs/dbraw/zinc/96/58/83/802965883.db2.gz SRNYBKNHPUPOJD-GHMZBOCLSA-N 2 1 253.777 2.152 20 0 CEADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H]1CCCOC1 ZINC000723974542 802980173 /nfs/dbraw/zinc/98/01/73/802980173.db2.gz AETOKIMFBDSRFJ-HIFRSBDPSA-N 2 1 265.401 2.148 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC=C(C)C)C1 ZINC001267067568 803088806 /nfs/dbraw/zinc/08/88/06/803088806.db2.gz QPWKWAXZPQTLTQ-INIZCTEOSA-N 2 1 295.471 2.123 20 0 CEADMP CC(C)n1ccc2c1nc[nH+]c2N1CCC2(C[NH2+]C2)CC1 ZINC001159042532 813191998 /nfs/dbraw/zinc/19/19/98/813191998.db2.gz HXMGUZMNWQZNDD-UHFFFAOYSA-N 2 1 285.395 2.202 20 0 CEADMP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001087212953 803155225 /nfs/dbraw/zinc/15/52/25/803155225.db2.gz XPEUPLOAVQXYGK-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000724928195 803352956 /nfs/dbraw/zinc/35/29/56/803352956.db2.gz ZXSKGMHHSBOJKO-MGPQQGTHSA-N 2 1 297.443 2.068 20 0 CEADMP CN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001267415795 803461503 /nfs/dbraw/zinc/46/15/03/803461503.db2.gz VGBXPRGVWCHIJE-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CCC(C)C)C1 ZINC001267416711 803462720 /nfs/dbraw/zinc/46/27/20/803462720.db2.gz XLJWGVJBHKNWFI-MRXNPFEDSA-N 2 1 297.487 2.203 20 0 CEADMP [NH2+]=C(Nc1ccc(-c2csnn2)cc1)SCC[NH3+] ZINC001167913449 803551872 /nfs/dbraw/zinc/55/18/72/803551872.db2.gz YMCBCHMRYMKISX-UHFFFAOYSA-N 2 1 279.394 2.244 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715397168 814953470 /nfs/dbraw/zinc/95/34/70/814953470.db2.gz WJNUVTOWLLKQFJ-CQOGHXNDSA-N 2 1 266.429 2.249 20 0 CEADMP CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267728407 803679710 /nfs/dbraw/zinc/67/97/10/803679710.db2.gz BRFKTAXEBLLINW-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H]1CN(C[C@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000396427903 803731642 /nfs/dbraw/zinc/73/16/42/803731642.db2.gz HEVUWSMRRFMCCX-FUHWJXTLSA-N 2 1 287.451 2.335 20 0 CEADMP CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001267831199 803761624 /nfs/dbraw/zinc/76/16/24/803761624.db2.gz MXRTUIOEBPJUNJ-HUUCEWRRSA-N 2 1 283.460 2.145 20 0 CEADMP C([C@H]1CC[C@@H](C2CC2)O1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715392269 814963082 /nfs/dbraw/zinc/96/30/82/814963082.db2.gz IODCTZBVVFVZAR-WCVJEAGWSA-N 2 1 264.413 2.018 20 0 CEADMP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000715489039 814968414 /nfs/dbraw/zinc/96/84/14/814968414.db2.gz BUTJLHQHTKVNDX-HIFPTAJRSA-N 2 1 270.417 2.179 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000715541101 814973746 /nfs/dbraw/zinc/97/37/46/814973746.db2.gz FNCYNYUSVPTCER-QWHCGFSZSA-N 2 1 266.360 2.494 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027408692 804065484 /nfs/dbraw/zinc/06/54/84/804065484.db2.gz WCAVHELTZFOWGR-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027408692 804065492 /nfs/dbraw/zinc/06/54/92/804065492.db2.gz WCAVHELTZFOWGR-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001027576229 804131889 /nfs/dbraw/zinc/13/18/89/804131889.db2.gz MRHWTOXJYLAHGP-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001027576229 804131895 /nfs/dbraw/zinc/13/18/95/804131895.db2.gz MRHWTOXJYLAHGP-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001027576229 804131899 /nfs/dbraw/zinc/13/18/99/804131899.db2.gz MRHWTOXJYLAHGP-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC[C@H]1CC1(Cl)Cl ZINC000399408430 804368395 /nfs/dbraw/zinc/36/83/95/804368395.db2.gz JLKSXURBSBHLGV-UTLUCORTSA-N 2 1 251.201 2.382 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC000399408430 804368405 /nfs/dbraw/zinc/36/84/05/804368405.db2.gz JLKSXURBSBHLGV-UTLUCORTSA-N 2 1 251.201 2.382 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001167840375 804437518 /nfs/dbraw/zinc/43/75/18/804437518.db2.gz FWQLIQAYWVGLIQ-GVDBMIGSSA-N 3 1 281.488 2.380 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2C[C@@]2(CN(C)C)C1 ZINC001167840375 804437522 /nfs/dbraw/zinc/43/75/22/804437522.db2.gz FWQLIQAYWVGLIQ-GVDBMIGSSA-N 2 1 281.488 2.380 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2(CN(C)C)C1 ZINC001167840375 804437527 /nfs/dbraw/zinc/43/75/27/804437527.db2.gz FWQLIQAYWVGLIQ-GVDBMIGSSA-N 2 1 281.488 2.380 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2c(cnn2C)C1 ZINC001167841343 804444145 /nfs/dbraw/zinc/44/41/45/804444145.db2.gz KVTICUCFLFLPSQ-AWEZNQCLSA-N 2 1 278.444 2.289 20 0 CEADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccccc1C(F)F ZINC001139799536 804615389 /nfs/dbraw/zinc/61/53/89/804615389.db2.gz QTGQJYBILJJEST-UHFFFAOYSA-N 2 1 297.393 2.303 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC ZINC001028254013 804622252 /nfs/dbraw/zinc/62/22/52/804622252.db2.gz LDEGRSXFBGRMRR-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP COc1ccc2cc(NC(=[NH2+])SCC[NH3+])ccc2n1 ZINC001167915609 804716316 /nfs/dbraw/zinc/71/63/16/804716316.db2.gz VGVMCLOLCXBEBL-UHFFFAOYSA-N 2 1 276.365 2.282 20 0 CEADMP COc1cccc(CN2CC[C@@H](Oc3ccncc3C)C2)n1 ZINC001137536443 804733372 /nfs/dbraw/zinc/73/33/72/804733372.db2.gz DKAAAJUXXLOESW-OAHLLOKOSA-N 2 1 299.374 2.447 20 0 CEADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167936363 804871584 /nfs/dbraw/zinc/87/15/84/804871584.db2.gz NPKQLLAUISSFLV-QDMKHBRRSA-N 2 1 288.439 2.337 20 0 CEADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167936363 804871592 /nfs/dbraw/zinc/87/15/92/804871592.db2.gz NPKQLLAUISSFLV-QDMKHBRRSA-N 2 1 288.439 2.337 20 0 CEADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167936363 804871603 /nfs/dbraw/zinc/87/16/03/804871603.db2.gz NPKQLLAUISSFLV-QDMKHBRRSA-N 2 1 288.439 2.337 20 0 CEADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167936363 804871621 /nfs/dbraw/zinc/87/16/21/804871621.db2.gz NPKQLLAUISSFLV-QDMKHBRRSA-N 2 1 288.439 2.337 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000696264738 804889595 /nfs/dbraw/zinc/88/95/95/804889595.db2.gz ACGDZVAAKZBMNJ-SNVBAGLBSA-N 2 1 251.399 2.191 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CCC(C)(C)C)CC[N@H+]1C ZINC001268645277 804908078 /nfs/dbraw/zinc/90/80/78/804908078.db2.gz NCORQJHHZNRUKR-QLFBSQMISA-N 2 1 297.487 2.247 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000165068947 807036137 /nfs/dbraw/zinc/03/61/37/807036137.db2.gz BSAPJLZFANRMFK-ZDUSSCGKSA-N 2 1 255.365 2.406 20 0 CEADMP COC(=O)[C@]1(C)CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387673 807042849 /nfs/dbraw/zinc/04/28/49/807042849.db2.gz PDVUNGGRCQHMSJ-QGZVFWFLSA-N 2 1 294.439 2.136 20 0 CEADMP CC[C@@]12C[C@@H](CO1)[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168387818 807046791 /nfs/dbraw/zinc/04/67/91/807046791.db2.gz VJPJMYKHTCEAKZ-HOTGVXAUSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167959596 805304723 /nfs/dbraw/zinc/30/47/23/805304723.db2.gz RFOOSRKBLLUDLN-ALOPSCKCSA-N 2 1 277.456 2.076 20 0 CEADMP CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167959596 805304729 /nfs/dbraw/zinc/30/47/29/805304729.db2.gz RFOOSRKBLLUDLN-ALOPSCKCSA-N 2 1 277.456 2.076 20 0 CEADMP CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167959596 805304737 /nfs/dbraw/zinc/30/47/37/805304737.db2.gz RFOOSRKBLLUDLN-ALOPSCKCSA-N 2 1 277.456 2.076 20 0 CEADMP FC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167960329 805322034 /nfs/dbraw/zinc/32/20/34/805322034.db2.gz XZWLVQJHTYQKRZ-NIRLBGDNSA-N 2 1 252.377 2.482 20 0 CEADMP Oc1cccnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167969074 805494715 /nfs/dbraw/zinc/49/47/15/805494715.db2.gz ZLRDAYWAIHHVLQ-GOOCMWNKSA-N 2 1 287.407 2.282 20 0 CEADMP Oc1cccnc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969074 805494718 /nfs/dbraw/zinc/49/47/18/805494718.db2.gz ZLRDAYWAIHHVLQ-GOOCMWNKSA-N 2 1 287.407 2.282 20 0 CEADMP C[NH+](C)[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983845 805521560 /nfs/dbraw/zinc/52/15/60/805521560.db2.gz JQVKRBSCRHFCQO-TVXGVJEUSA-N 2 1 277.456 2.028 20 0 CEADMP OC[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167983838 805521876 /nfs/dbraw/zinc/52/18/76/805521876.db2.gz JLCPNSZEVSTBNI-XNHLSEOASA-N 2 1 292.467 2.486 20 0 CEADMP OC[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167983838 805521879 /nfs/dbraw/zinc/52/18/79/805521879.db2.gz JLCPNSZEVSTBNI-XNHLSEOASA-N 2 1 292.467 2.486 20 0 CEADMP OC[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167983838 805521884 /nfs/dbraw/zinc/52/18/84/805521884.db2.gz JLCPNSZEVSTBNI-XNHLSEOASA-N 2 1 292.467 2.486 20 0 CEADMP c1nc2c(n1C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C[NH2+]CC2 ZINC001167983796 805522016 /nfs/dbraw/zinc/52/20/16/805522016.db2.gz HRWSPVIJOYPXAV-YIONKMFJSA-N 2 1 286.423 2.107 20 0 CEADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCCOCC1)C2 ZINC001167985514 805542965 /nfs/dbraw/zinc/54/29/65/805542965.db2.gz XEETZVGSYFOVIJ-XYPWUTKMSA-N 2 1 264.413 2.114 20 0 CEADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@@H+]1CCCOCC1)C2 ZINC001167985514 805542970 /nfs/dbraw/zinc/54/29/70/805542970.db2.gz XEETZVGSYFOVIJ-XYPWUTKMSA-N 2 1 264.413 2.114 20 0 CEADMP C(C1CC1)[NH+]1[C@@H]2CC[C@H]1CC([N@H+]1CCCOCC1)C2 ZINC001167985514 805542977 /nfs/dbraw/zinc/54/29/77/805542977.db2.gz XEETZVGSYFOVIJ-XYPWUTKMSA-N 2 1 264.413 2.114 20 0 CEADMP CO[C@@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC001168396753 807076271 /nfs/dbraw/zinc/07/62/71/807076271.db2.gz IQLDGLDEYIBVDP-XJKSGUPXSA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168415087 807244439 /nfs/dbraw/zinc/24/44/39/807244439.db2.gz LVPSVFCFMVZORH-XHDPSFHLSA-N 2 1 250.361 2.210 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCC4(CCC4)CO3)C[C@H]21 ZINC000716312515 815113493 /nfs/dbraw/zinc/11/34/93/815113493.db2.gz VOVBXICUXXPXKG-KLHDSHLOSA-N 2 1 278.440 2.395 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716357027 815118543 /nfs/dbraw/zinc/11/85/43/815118543.db2.gz WGXHXVNLSMXPTN-KBPBESRZSA-N 2 1 252.402 2.006 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H]1CCC3(CCC3)CO1)C2 ZINC000716334880 815115737 /nfs/dbraw/zinc/11/57/37/815115737.db2.gz NEBBQSRHDAAEFX-HRCADAONSA-N 2 1 278.440 2.267 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CCC3(CCC3)CO1)C2 ZINC000716334880 815115739 /nfs/dbraw/zinc/11/57/39/815115739.db2.gz NEBBQSRHDAAEFX-HRCADAONSA-N 2 1 278.440 2.267 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cc(F)ccc4C3)C[C@@H]2C1 ZINC001168442256 807517657 /nfs/dbraw/zinc/51/76/57/807517657.db2.gz SXTMYHXTFFICHU-HLLBOEOZSA-N 2 1 274.383 2.176 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4cc(F)ccc4C3)C[C@@H]2C1 ZINC001168442256 807517658 /nfs/dbraw/zinc/51/76/58/807517658.db2.gz SXTMYHXTFFICHU-HLLBOEOZSA-N 2 1 274.383 2.176 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4cc(F)ccc4C3)C[C@@H]2C1 ZINC001168442256 807517660 /nfs/dbraw/zinc/51/76/60/807517660.db2.gz SXTMYHXTFFICHU-HLLBOEOZSA-N 2 1 274.383 2.176 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)[C@@H]1CCCC[NH2+]1 ZINC000716596106 815129736 /nfs/dbraw/zinc/12/97/36/815129736.db2.gz XJEYDJXPQFPKCJ-ZNMIVQPWSA-N 2 1 266.429 2.456 20 0 CEADMP CC1(C)C[C@H](CNc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)O1 ZINC001168453099 807594920 /nfs/dbraw/zinc/59/49/20/807594920.db2.gz UDDHWDVEDVVNPK-CYBMUJFWSA-N 2 1 286.379 2.001 20 0 CEADMP COc1ccc(F)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205102140 807635356 /nfs/dbraw/zinc/63/53/56/807635356.db2.gz PBBHCHQCKOIMMQ-ZDUSSCGKSA-N 2 1 252.333 2.148 20 0 CEADMP COc1ccc(F)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205102140 807635362 /nfs/dbraw/zinc/63/53/62/807635362.db2.gz PBBHCHQCKOIMMQ-ZDUSSCGKSA-N 2 1 252.333 2.148 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(C)c1 ZINC001205117777 807706040 /nfs/dbraw/zinc/70/60/40/807706040.db2.gz UYPAOCIFIHGMHF-HNNXBMFYSA-N 2 1 275.396 2.267 20 0 CEADMP CC[N@H+]1CCC[C@H](CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC001119699804 815151567 /nfs/dbraw/zinc/15/15/67/815151567.db2.gz ZGRAFLWDAJKBPJ-ILXRZTDVSA-N 2 1 267.461 2.214 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC001119699804 815151569 /nfs/dbraw/zinc/15/15/69/815151569.db2.gz ZGRAFLWDAJKBPJ-ILXRZTDVSA-N 3 1 267.461 2.214 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC001119699804 815151572 /nfs/dbraw/zinc/15/15/72/815151572.db2.gz ZGRAFLWDAJKBPJ-ILXRZTDVSA-N 3 1 267.461 2.214 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000715266075 807857354 /nfs/dbraw/zinc/85/73/54/807857354.db2.gz XTNXSIGWVSJLBJ-YYHXJNRASA-N 2 1 279.472 2.464 20 0 CEADMP CN1[C@@H]2CCC[C@H]1CC([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC000715266075 807857360 /nfs/dbraw/zinc/85/73/60/807857360.db2.gz XTNXSIGWVSJLBJ-YYHXJNRASA-N 2 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000715266075 807857368 /nfs/dbraw/zinc/85/73/68/807857368.db2.gz XTNXSIGWVSJLBJ-YYHXJNRASA-N 3 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000715266075 807857371 /nfs/dbraw/zinc/85/73/71/807857371.db2.gz XTNXSIGWVSJLBJ-YYHXJNRASA-N 3 1 279.472 2.464 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc(C)c1F ZINC001235935760 807895439 /nfs/dbraw/zinc/89/54/39/807895439.db2.gz FBNSFQAEWPDSHX-HUUCEWRRSA-N 2 1 262.372 2.484 20 0 CEADMP Fc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001236314206 808063661 /nfs/dbraw/zinc/06/36/61/808063661.db2.gz KWFIRNIAZMBSMD-TXEJJXNPSA-N 2 1 266.335 2.396 20 0 CEADMP Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413346 808091902 /nfs/dbraw/zinc/09/19/02/808091902.db2.gz OCFBYVRKNREKFT-WDNDVIMCSA-N 2 1 295.224 2.407 20 0 CEADMP Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236413346 808091912 /nfs/dbraw/zinc/09/19/12/808091912.db2.gz OCFBYVRKNREKFT-WDNDVIMCSA-N 2 1 295.224 2.407 20 0 CEADMP CSC1(C[NH2+][C@@H]2CCCc3[nH]ncc32)CC[NH+](C)CC1 ZINC000353627576 808166710 /nfs/dbraw/zinc/16/67/10/808166710.db2.gz LIDNERCJCMKTHZ-CYBMUJFWSA-N 2 1 294.468 2.204 20 0 CEADMP Cn1ccc(C[N@H+]2C[C@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001119990939 815183863 /nfs/dbraw/zinc/18/38/63/815183863.db2.gz ZUFYVYFPMNXIKG-BZUAXINKSA-N 2 1 261.413 2.187 20 0 CEADMP CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107040626 808322409 /nfs/dbraw/zinc/32/24/09/808322409.db2.gz JVIBCPPOEQNMMH-BZUAXINKSA-N 2 1 297.487 2.057 20 0 CEADMP C[NH+]1C(C)(C)CC([NH2+]C[C@H](O)C(F)(F)F)CC1(C)C ZINC001171622969 815206575 /nfs/dbraw/zinc/20/65/75/815206575.db2.gz FNHHEAUVHZGYQJ-JTQLQIEISA-N 2 1 282.350 2.151 20 0 CEADMP Cc1cc(C[NH3+])nn1[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171726535 815218183 /nfs/dbraw/zinc/21/81/83/815218183.db2.gz XJKJPRHHZWBALB-DYVFJYSZSA-N 2 1 284.407 2.486 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CCC(C)(C)C ZINC001171725480 815218241 /nfs/dbraw/zinc/21/82/41/815218241.db2.gz MFEDUYFLPATJGY-UHFFFAOYSA-N 2 1 285.476 2.250 20 0 CEADMP C[C@H]1C[C@H](n2ccnc2CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171724882 815218315 /nfs/dbraw/zinc/21/83/15/815218315.db2.gz DOWUIANTEXZZTF-HOCLYGCPSA-N 2 1 284.407 2.220 20 0 CEADMP CC(C)N(CC[NH3+])[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171725426 815218615 /nfs/dbraw/zinc/21/86/15/815218615.db2.gz LHWHLFMZSWOBBY-WBVHZDCISA-N 2 1 275.440 2.319 20 0 CEADMP CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423623 815220681 /nfs/dbraw/zinc/22/06/81/815220681.db2.gz VRXPMOWPEHVMCM-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1Cl ZINC001205219401 808611136 /nfs/dbraw/zinc/61/11/36/808611136.db2.gz CEDFXMYIGJAPGF-HNNXBMFYSA-N 2 1 298.814 2.024 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC1CC1 ZINC001272774843 808649011 /nfs/dbraw/zinc/64/90/11/808649011.db2.gz ZNCMYWMOHMVYIQ-ZBFHGGJFSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)ccn1 ZINC001205239713 808684101 /nfs/dbraw/zinc/68/41/01/808684101.db2.gz CWHXMXAHNMRGFP-KRWDZBQOSA-N 2 1 291.439 2.055 20 0 CEADMP C[NH+](C)C1CCC(N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000715529511 808753093 /nfs/dbraw/zinc/75/30/93/808753093.db2.gz VFGACEYJVFJWNO-GPANFISMSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+](C)C1CCC([N@@H+]2CCN3CCCC[C@H]3C2)CC1 ZINC000715529511 808753098 /nfs/dbraw/zinc/75/30/98/808753098.db2.gz VFGACEYJVFJWNO-GPANFISMSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCN3CCCC[C@H]3C2)CC1 ZINC000715529511 808753102 /nfs/dbraw/zinc/75/31/02/808753102.db2.gz VFGACEYJVFJWNO-GPANFISMSA-N 2 1 265.445 2.029 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171790446 815236954 /nfs/dbraw/zinc/23/69/54/815236954.db2.gz LGSTXKROIXEHFW-AXAPSJFSSA-N 2 1 262.372 2.223 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171790446 815236958 /nfs/dbraw/zinc/23/69/58/815236958.db2.gz LGSTXKROIXEHFW-AXAPSJFSSA-N 2 1 262.372 2.223 20 0 CEADMP C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000691351679 808872747 /nfs/dbraw/zinc/87/27/47/808872747.db2.gz RWGNLWHSCMUVET-HOCLYGCPSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1cc(Br)ncc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205046293 809064029 /nfs/dbraw/zinc/06/40/29/809064029.db2.gz BOFNWEQFUMNDMV-UHFFFAOYSA-N 2 1 298.228 2.323 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C[C@@H](O)CF)CC[N@H+]1Cc1ccccc1 ZINC001171978035 815265269 /nfs/dbraw/zinc/26/52/69/815265269.db2.gz INFPTYPXZNEOFN-HOTGVXAUSA-N 2 1 294.414 2.350 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC(C)C)C1 ZINC001033127545 809195570 /nfs/dbraw/zinc/19/55/70/809195570.db2.gz VOTRMCWXOCLXMR-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001033127545 809195574 /nfs/dbraw/zinc/19/55/74/809195574.db2.gz VOTRMCWXOCLXMR-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033127545 809195577 /nfs/dbraw/zinc/19/55/77/809195577.db2.gz VOTRMCWXOCLXMR-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2cncc(F)c2Cl)CC1 ZINC001205053071 809250037 /nfs/dbraw/zinc/25/00/37/809250037.db2.gz JDCCQEGODNBVOD-UHFFFAOYSA-N 2 1 257.740 2.045 20 0 CEADMP CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033424592 809300220 /nfs/dbraw/zinc/30/02/20/809300220.db2.gz TYXPYKRRYHUIDI-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001033424592 809300226 /nfs/dbraw/zinc/30/02/26/809300226.db2.gz TYXPYKRRYHUIDI-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033424592 809300231 /nfs/dbraw/zinc/30/02/31/809300231.db2.gz TYXPYKRRYHUIDI-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1cncc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172101290 815282442 /nfs/dbraw/zinc/28/24/42/815282442.db2.gz XVADFMGMXIYRME-PHZGNYQRSA-N 2 1 259.397 2.495 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1ccccc1)C2 ZINC001172100909 815283878 /nfs/dbraw/zinc/28/38/78/815283878.db2.gz UXQJIYFHZUBSGT-WCXIOVBPSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)c1ccccc1)C2 ZINC001172100874 815283962 /nfs/dbraw/zinc/28/39/62/815283962.db2.gz UHSFDGIYDYZBHW-WCXIOVBPSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc3c1CC[NH2+]C3)C2 ZINC001172127691 815287833 /nfs/dbraw/zinc/28/78/33/815287833.db2.gz JJWXBXSPVXGISK-QDMKHBRRSA-N 2 1 259.397 2.322 20 0 CEADMP C[NH2+]CCc1c(C)nn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1C ZINC001172127102 815288085 /nfs/dbraw/zinc/28/80/85/815288085.db2.gz GUVDHMIBXSJZAY-MUJYYYPQSA-N 2 1 290.455 2.450 20 0 CEADMP CN(CC[NH+]1CCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129173 815289067 /nfs/dbraw/zinc/28/90/67/815289067.db2.gz XNOMXZPTYGCFQA-ZSHCYNCHSA-N 2 1 265.445 2.029 20 0 CEADMP CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033928282 809453497 /nfs/dbraw/zinc/45/34/97/809453497.db2.gz WNDQGOAAIZAVGB-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128784106 809461127 /nfs/dbraw/zinc/46/11/27/809461127.db2.gz LIFBLHGQXNFZRK-HNNXBMFYSA-N 2 1 283.460 2.147 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cncnc1 ZINC001172104540 815293483 /nfs/dbraw/zinc/29/34/83/815293483.db2.gz CMFGRGNTBVIKSY-REBRKWNGSA-N 2 1 260.385 2.143 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1Cc3ccccc3NC1=O)C2 ZINC001172103901 815294203 /nfs/dbraw/zinc/29/42/03/815294203.db2.gz XUHSFJBGUTVLOX-PNBKFKSVSA-N 2 1 299.418 2.155 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1Cc3ccccc3NC1=O)C2 ZINC001172103901 815294206 /nfs/dbraw/zinc/29/42/06/815294206.db2.gz XUHSFJBGUTVLOX-PNBKFKSVSA-N 2 1 299.418 2.155 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)C2 ZINC001172105513 815296233 /nfs/dbraw/zinc/29/62/33/815296233.db2.gz IPLBNZUROYYBCG-WCXIOVBPSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)C2 ZINC001172105513 815296237 /nfs/dbraw/zinc/29/62/37/815296237.db2.gz IPLBNZUROYYBCG-WCXIOVBPSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(=O)Nc1ccccc1)C2 ZINC001172105133 815296485 /nfs/dbraw/zinc/29/64/85/815296485.db2.gz HEYBUWSWPXDFEV-PHZGNYQRSA-N 2 1 287.407 2.230 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(=O)Nc1ccccc1)C2 ZINC001172105133 815296490 /nfs/dbraw/zinc/29/64/90/815296490.db2.gz HEYBUWSWPXDFEV-PHZGNYQRSA-N 2 1 287.407 2.230 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(C)CCOCC1)C2 ZINC001172105836 815297046 /nfs/dbraw/zinc/29/70/46/815297046.db2.gz LAUUVDXTOVVSNJ-QKDCVEJESA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(O)(C(F)(F)F)C1)C2 ZINC001172108393 815298085 /nfs/dbraw/zinc/29/80/85/815298085.db2.gz WBRUFABGEIQULO-VNAIHZQWSA-N 2 1 292.345 2.047 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC(O)(C(F)(F)F)C1)C2 ZINC001172108393 815298089 /nfs/dbraw/zinc/29/80/89/815298089.db2.gz WBRUFABGEIQULO-VNAIHZQWSA-N 2 1 292.345 2.047 20 0 CEADMP COC1CC(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172111502 815300123 /nfs/dbraw/zinc/30/01/23/815300123.db2.gz VANCNGMHZCKGRC-LAKJJFTBSA-N 2 1 252.402 2.016 20 0 CEADMP C[NH+](C)C1(C[NH2+]C2CCC(C)(O)CC2)CCCC1 ZINC000703016390 809610377 /nfs/dbraw/zinc/61/03/77/809610377.db2.gz DNRQLMVSMUYDNC-UHFFFAOYSA-N 2 1 254.418 2.144 20 0 CEADMP CO[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172115143 815304096 /nfs/dbraw/zinc/30/40/96/815304096.db2.gz VHVVJPBDWIJLIY-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172115143 815304101 /nfs/dbraw/zinc/30/41/01/815304101.db2.gz VHVVJPBDWIJLIY-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172115143 815304107 /nfs/dbraw/zinc/30/41/07/815304107.db2.gz VHVVJPBDWIJLIY-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172115143 815304113 /nfs/dbraw/zinc/30/41/13/815304113.db2.gz VHVVJPBDWIJLIY-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172113310 815304262 /nfs/dbraw/zinc/30/42/62/815304262.db2.gz GLJSHWXLDNQTOY-YQLLOFTFSA-N 3 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172113310 815304268 /nfs/dbraw/zinc/30/42/68/815304268.db2.gz GLJSHWXLDNQTOY-YQLLOFTFSA-N 3 1 279.472 2.464 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@](C)(O)C1)C2 ZINC001172117550 815305702 /nfs/dbraw/zinc/30/57/02/815305702.db2.gz HQKSLUJLKQVKJR-FZKCQIBNSA-N 2 1 266.429 2.239 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@](C)(O)C1)C2 ZINC001172117550 815305709 /nfs/dbraw/zinc/30/57/09/815305709.db2.gz HQKSLUJLKQVKJR-FZKCQIBNSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC[C@](C)(O)C1)C2 ZINC001172117550 815305716 /nfs/dbraw/zinc/30/57/16/815305716.db2.gz HQKSLUJLKQVKJR-FZKCQIBNSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@](C)(O)C1)C2 ZINC001172117550 815305723 /nfs/dbraw/zinc/30/57/23/815305723.db2.gz HQKSLUJLKQVKJR-FZKCQIBNSA-N 2 1 266.429 2.239 20 0 CEADMP CCCCC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)NC ZINC001172117056 815307259 /nfs/dbraw/zinc/30/72/59/815307259.db2.gz JYQXKVTXIHFPDF-JONQDZQNSA-N 2 1 295.471 2.286 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1F ZINC001117953865 809664929 /nfs/dbraw/zinc/66/49/29/809664929.db2.gz SDDZQNNNBIBPGS-PWSUYJOCSA-N 2 1 252.333 2.064 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@@](O)(CF)C1)C2 ZINC001172120064 815308173 /nfs/dbraw/zinc/30/81/73/815308173.db2.gz JKBZFUCAXHVCEC-QKPAOTATSA-N 2 1 284.419 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC[C@@](O)(CF)C1)C2 ZINC001172120064 815308177 /nfs/dbraw/zinc/30/81/77/815308177.db2.gz JKBZFUCAXHVCEC-QKPAOTATSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC[C@@](O)(CF)C1)C2 ZINC001172120064 815308183 /nfs/dbraw/zinc/30/81/83/815308183.db2.gz JKBZFUCAXHVCEC-QKPAOTATSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC[C@@](O)(CF)C1)C2 ZINC001172120064 815308187 /nfs/dbraw/zinc/30/81/87/815308187.db2.gz JKBZFUCAXHVCEC-QKPAOTATSA-N 2 1 284.419 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@]3(CCCO3)C1)C2 ZINC001172121009 815309009 /nfs/dbraw/zinc/30/90/09/815309009.db2.gz NXBQDWMJKYYCDA-JJXSEGSLSA-N 2 1 264.413 2.257 20 0 CEADMP CCCC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172120128 815309151 /nfs/dbraw/zinc/30/91/51/815309151.db2.gz CUHDRSNWTMDSEU-FVQHAEBGSA-N 2 1 279.472 2.419 20 0 CEADMP COC(=O)[C@@H]1CCCCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120506 815309846 /nfs/dbraw/zinc/30/98/46/815309846.db2.gz LCMPKVCJTLFWAJ-XGUBFFRZSA-N 2 1 280.412 2.029 20 0 CEADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@@]1(C)O ZINC001172121869 815313616 /nfs/dbraw/zinc/31/36/16/815313616.db2.gz UONMVSJKLLOUDN-UHDSXZAQSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@@]1(C)O ZINC001172121869 815313622 /nfs/dbraw/zinc/31/36/22/815313622.db2.gz UONMVSJKLLOUDN-UHDSXZAQSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC[C@@]1(C)O ZINC001172121869 815313629 /nfs/dbraw/zinc/31/36/29/815313629.db2.gz UONMVSJKLLOUDN-UHDSXZAQSA-N 2 1 280.456 2.485 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC[C@@]1(C)O ZINC001172121869 815313635 /nfs/dbraw/zinc/31/36/35/815313635.db2.gz UONMVSJKLLOUDN-UHDSXZAQSA-N 2 1 280.456 2.485 20 0 CEADMP C(C[N@H+]1CC[C@]2(CCOC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000707227439 809888231 /nfs/dbraw/zinc/88/82/31/809888231.db2.gz LQOLIEUFAHPMAF-UYTSQGDYSA-N 2 1 264.413 2.020 20 0 CEADMP c1c(C[N@H+]2CC[C@]3(CCOC3)C2)sc2c1C[NH2+]CC2 ZINC000707242607 809894282 /nfs/dbraw/zinc/89/42/82/809894282.db2.gz SXHNEXGPDUTEPE-HNNXBMFYSA-N 2 1 278.421 2.006 20 0 CEADMP CC1(C)CO[C@H](C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000708340537 809927470 /nfs/dbraw/zinc/92/74/70/809927470.db2.gz KDSKSTBXSKOJQA-SOUVJXGZSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000708340537 809927473 /nfs/dbraw/zinc/92/74/73/809927473.db2.gz KDSKSTBXSKOJQA-SOUVJXGZSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)CO2)[C@@H]1CC[NH3+] ZINC000708349056 809927495 /nfs/dbraw/zinc/92/74/95/809927495.db2.gz PQMKMWPQNLIBEO-HZSPNIEDSA-N 2 1 254.418 2.251 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C(C)(C)O1 ZINC000709704087 809953721 /nfs/dbraw/zinc/95/37/21/809953721.db2.gz XLSKCTSAKFRFNE-MCIONIFRSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1)[NH2+]2 ZINC000709464018 809961842 /nfs/dbraw/zinc/96/18/42/809961842.db2.gz GKLDQJULDZUAJZ-ARLBYUKCSA-N 3 1 279.472 2.368 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000709558718 809965116 /nfs/dbraw/zinc/96/51/16/809965116.db2.gz VLUXNOYEROOCGC-VWYCJHECSA-N 2 1 250.308 2.116 20 0 CEADMP C[C@@]1(C(F)(F)F)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000709597778 809966383 /nfs/dbraw/zinc/96/63/83/809966383.db2.gz WVBJKLZSWQNZKT-WDEREUQCSA-N 2 1 250.308 2.260 20 0 CEADMP CC1(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CCC1 ZINC000709799390 809970670 /nfs/dbraw/zinc/97/06/70/809970670.db2.gz JXBXHBZIRGLSTA-NXEZZACHSA-N 2 1 250.308 2.246 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000709850867 809972545 /nfs/dbraw/zinc/97/25/45/809972545.db2.gz BNSMFMXQMDOBII-TUAOUCFPSA-N 2 1 252.308 2.276 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000709850867 809972548 /nfs/dbraw/zinc/97/25/48/809972548.db2.gz BNSMFMXQMDOBII-TUAOUCFPSA-N 2 1 252.308 2.276 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc3c(c1)CCC3)C2 ZINC000709859318 809973395 /nfs/dbraw/zinc/97/33/95/809973395.db2.gz IBLUUBNBBBSWOZ-XKQJLSEDSA-N 2 1 256.393 2.487 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000709902428 809975279 /nfs/dbraw/zinc/97/52/79/809975279.db2.gz CBXNGJKWRVBEHK-QGZVFWFLSA-N 2 1 274.408 2.449 20 0 CEADMP FC(F)(F)SCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709995285 809977986 /nfs/dbraw/zinc/97/79/86/809977986.db2.gz GSGMOMNTGJYAKZ-SNVBAGLBSA-N 2 1 268.348 2.315 20 0 CEADMP FC(F)(F)SCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709995285 809977989 /nfs/dbraw/zinc/97/79/89/809977989.db2.gz GSGMOMNTGJYAKZ-SNVBAGLBSA-N 2 1 268.348 2.315 20 0 CEADMP COc1ccnc(C[N@@H+](C)CCCCCC[NH3+])c1OC ZINC000710684177 809989560 /nfs/dbraw/zinc/98/95/60/809989560.db2.gz VOKSUHBEYGAYPA-UHFFFAOYSA-N 2 1 281.400 2.050 20 0 CEADMP NCC[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172216651 815335788 /nfs/dbraw/zinc/33/57/88/815335788.db2.gz MFOPICCIYOSFJW-MQVJKMGUSA-N 2 1 260.381 2.157 20 0 CEADMP NCC[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172216651 815335793 /nfs/dbraw/zinc/33/57/93/815335793.db2.gz MFOPICCIYOSFJW-MQVJKMGUSA-N 2 1 260.381 2.157 20 0 CEADMP [NH3+]CC[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172216651 815335800 /nfs/dbraw/zinc/33/58/00/815335800.db2.gz MFOPICCIYOSFJW-MQVJKMGUSA-N 2 1 260.381 2.157 20 0 CEADMP [NH3+]CC[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172216651 815335804 /nfs/dbraw/zinc/33/58/04/815335804.db2.gz MFOPICCIYOSFJW-MQVJKMGUSA-N 2 1 260.381 2.157 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001172218621 815336622 /nfs/dbraw/zinc/33/66/22/815336622.db2.gz AEKCAWHQBIPEOJ-DOPIXRMISA-N 2 1 264.413 2.301 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001172218621 815336628 /nfs/dbraw/zinc/33/66/28/815336628.db2.gz AEKCAWHQBIPEOJ-DOPIXRMISA-N 2 1 264.413 2.301 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C[NH3+] ZINC000923383057 810090098 /nfs/dbraw/zinc/09/00/98/810090098.db2.gz PLHIUARCMVWWRW-YKZFTENLSA-N 3 1 279.472 2.212 20 0 CEADMP C[C@H]1C[N@@H+](CC(=O)NC2CCCCCCC2)CC[C@@H]1C[NH3+] ZINC000923506546 810104525 /nfs/dbraw/zinc/10/45/25/810104525.db2.gz FZKVJKLQOFCXSW-LSDHHAIUSA-N 2 1 295.471 2.132 20 0 CEADMP COCCC[NH+]1CCC([NH+]2CCC3(CC3)CC2)CC1 ZINC001172252191 815358101 /nfs/dbraw/zinc/35/81/01/815358101.db2.gz IHKRMCIOCVEEFY-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP COCCC[NH+]1CCC([N@H+](C)Cc2cccc(O)c2)CC1 ZINC001172252772 815360552 /nfs/dbraw/zinc/36/05/52/815360552.db2.gz UJCZXPITSUVCHO-UHFFFAOYSA-N 2 1 292.423 2.325 20 0 CEADMP COCCC[NH+]1CCC([N@@H+](C)Cc2cccc(O)c2)CC1 ZINC001172252772 815360560 /nfs/dbraw/zinc/36/05/60/815360560.db2.gz UJCZXPITSUVCHO-UHFFFAOYSA-N 2 1 292.423 2.325 20 0 CEADMP CC(C)[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082559428 810387109 /nfs/dbraw/zinc/38/71/09/810387109.db2.gz FIFUEOOVYGBVFT-BZUAXINKSA-N 2 1 295.471 2.094 20 0 CEADMP C[C@H]1C[C@H](NC(=O)CCCCC2CC[NH2+]CC2)CC[N@H+]1C ZINC001121923440 815367209 /nfs/dbraw/zinc/36/72/09/815367209.db2.gz KVNLQCMYYQTZAT-GOEBONIOSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001017154646 810495862 /nfs/dbraw/zinc/49/58/62/810495862.db2.gz WCZCTUAYHOTHQH-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001017154646 810495869 /nfs/dbraw/zinc/49/58/69/810495869.db2.gz WCZCTUAYHOTHQH-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001017154646 810495875 /nfs/dbraw/zinc/49/58/75/810495875.db2.gz WCZCTUAYHOTHQH-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001085225261 810698065 /nfs/dbraw/zinc/69/80/65/810698065.db2.gz OSOUCDRHFAUPBQ-ARFHVFGLSA-N 2 1 295.471 2.286 20 0 CEADMP CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001085594934 810845038 /nfs/dbraw/zinc/84/50/38/810845038.db2.gz SSKJTLABJXZKLE-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085594934 810845043 /nfs/dbraw/zinc/84/50/43/810845043.db2.gz SSKJTLABJXZKLE-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085594934 810845050 /nfs/dbraw/zinc/84/50/50/810845050.db2.gz SSKJTLABJXZKLE-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172359707 815402024 /nfs/dbraw/zinc/40/20/24/815402024.db2.gz NEFYGZFYLPQIAB-XJFOESAGSA-N 2 1 270.417 2.071 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2C(C)C)C1 ZINC001085779289 810909715 /nfs/dbraw/zinc/90/97/15/810909715.db2.gz RMRIYRYDMFGFLX-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2C(C)C)C1 ZINC001085779289 810909720 /nfs/dbraw/zinc/90/97/20/810909720.db2.gz RMRIYRYDMFGFLX-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2C(C)C)C1 ZINC001085779289 810909725 /nfs/dbraw/zinc/90/97/25/810909725.db2.gz RMRIYRYDMFGFLX-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038780810 810913780 /nfs/dbraw/zinc/91/37/80/810913780.db2.gz NKXPEYBMTNVJNO-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001038780810 810913786 /nfs/dbraw/zinc/91/37/86/810913786.db2.gz NKXPEYBMTNVJNO-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001038780810 810913788 /nfs/dbraw/zinc/91/37/88/810913788.db2.gz NKXPEYBMTNVJNO-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC(C)C ZINC001039049265 810974332 /nfs/dbraw/zinc/97/43/32/810974332.db2.gz KLTVQGCBZYWKFY-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC(C)C ZINC001039049265 810974336 /nfs/dbraw/zinc/97/43/36/810974336.db2.gz KLTVQGCBZYWKFY-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC(C)C ZINC001039049265 810974341 /nfs/dbraw/zinc/97/43/41/810974341.db2.gz KLTVQGCBZYWKFY-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001085988145 810992640 /nfs/dbraw/zinc/99/26/40/810992640.db2.gz WQLVQFAQQBUSBQ-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001085988145 810992648 /nfs/dbraw/zinc/99/26/48/810992648.db2.gz WQLVQFAQQBUSBQ-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085988145 810992655 /nfs/dbraw/zinc/99/26/55/810992655.db2.gz WQLVQFAQQBUSBQ-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C(C)C)C2)C1 ZINC001086175269 811052803 /nfs/dbraw/zinc/05/28/03/811052803.db2.gz OICBHMAJPHDSEJ-OAGGEKHMSA-N 2 1 295.471 2.001 20 0 CEADMP CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086217001 811064459 /nfs/dbraw/zinc/06/44/59/811064459.db2.gz JVDASGMAQAPHLL-XHSDSOJGSA-N 2 1 295.471 2.144 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1C ZINC001205995902 811294499 /nfs/dbraw/zinc/29/44/99/811294499.db2.gz RQVBMVXSBHKBBA-WFASDCNBSA-N 2 1 278.444 2.327 20 0 CEADMP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](CCC(C)(C)C)C1 ZINC001043099868 811348452 /nfs/dbraw/zinc/34/84/52/811348452.db2.gz QYIRYUXQQHMVKQ-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169095374 811365935 /nfs/dbraw/zinc/36/59/35/811365935.db2.gz QIFGZLQFWOKRJV-PHZGNYQRSA-N 2 1 288.391 2.188 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169095374 811365946 /nfs/dbraw/zinc/36/59/46/811365946.db2.gz QIFGZLQFWOKRJV-PHZGNYQRSA-N 2 1 288.391 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cn3ccccc3n1)C2 ZINC001169098946 811370164 /nfs/dbraw/zinc/37/01/64/811370164.db2.gz MRWWAODLYFMTMK-MUJYYYPQSA-N 2 1 284.407 2.092 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC(F)F)nc1)C2 ZINC001169099559 811370732 /nfs/dbraw/zinc/37/07/32/811370732.db2.gz BLOFTJRQBDGPED-CLLJXQQHSA-N 2 1 297.349 2.398 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC(F)F)nc1)C2 ZINC001169099559 811370742 /nfs/dbraw/zinc/37/07/42/811370742.db2.gz BLOFTJRQBDGPED-CLLJXQQHSA-N 2 1 297.349 2.398 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1c3ccccc3CC[C@H]1O)C2 ZINC001169100692 811371763 /nfs/dbraw/zinc/37/17/63/811371763.db2.gz LISWLRBJMBOQGT-JAPOXJDPSA-N 2 1 286.419 2.250 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1c3ccccc3CC[C@H]1O)C2 ZINC001169100692 811371774 /nfs/dbraw/zinc/37/17/74/811371774.db2.gz LISWLRBJMBOQGT-JAPOXJDPSA-N 2 1 286.419 2.250 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1[C@@H]3C[C@@H]4C[C@H]1C[C@](O)(C3)C4)C2 ZINC001169077851 811376344 /nfs/dbraw/zinc/37/63/44/811376344.db2.gz ASRFCMQAVVSDFK-RUUMFXNPSA-N 2 1 290.451 2.141 20 0 CEADMP COc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169078388 811376500 /nfs/dbraw/zinc/37/65/00/811376500.db2.gz DTWIZFMFHYURSN-QKDCVEJESA-N 2 1 260.381 2.410 20 0 CEADMP COc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169078388 811376508 /nfs/dbraw/zinc/37/65/08/811376508.db2.gz DTWIZFMFHYURSN-QKDCVEJESA-N 2 1 260.381 2.410 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCC[NH+]1CCCC1)C2 ZINC001169092400 811381831 /nfs/dbraw/zinc/38/18/31/811381831.db2.gz BPPNURUNWSKOBZ-MUJYYYPQSA-N 3 1 265.445 2.077 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCC[NH+]1CCCC1)C2 ZINC001169092400 811381838 /nfs/dbraw/zinc/38/18/38/811381838.db2.gz BPPNURUNWSKOBZ-MUJYYYPQSA-N 2 1 265.445 2.077 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Nc1cccc(F)c1C[NH3+])C2 ZINC001169092630 811383491 /nfs/dbraw/zinc/38/34/91/811383491.db2.gz BVULLHCQMOTGMM-CNDDSTCGSA-N 2 1 263.360 2.322 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(c3ccc(F)cn3)CC1)C2 ZINC001169118618 811386396 /nfs/dbraw/zinc/38/63/96/811386396.db2.gz MBRWBGTWJLQNMG-QKDCVEJESA-N 2 1 289.398 2.467 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cnc3ccc(F)cn13)C2 ZINC001169123781 811394288 /nfs/dbraw/zinc/39/42/88/811394288.db2.gz MVZLCTNVBLHXJM-BTTYYORXSA-N 2 1 288.370 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cnc3ccc(F)cn13)C2 ZINC001169123781 811394295 /nfs/dbraw/zinc/39/42/95/811394295.db2.gz MVZLCTNVBLHXJM-BTTYYORXSA-N 2 1 288.370 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H]3CCCO[C@@H]3C1)C2 ZINC001169129906 811400241 /nfs/dbraw/zinc/40/02/41/811400241.db2.gz LQHMZBTUXZGFJC-AALSBFMBSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]3CCCO[C@@H]3C1)C2 ZINC001169129906 811400248 /nfs/dbraw/zinc/40/02/48/811400248.db2.gz LQHMZBTUXZGFJC-AALSBFMBSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H]3CCCO[C@@H]3C1)C2 ZINC001169129906 811400252 /nfs/dbraw/zinc/40/02/52/811400252.db2.gz LQHMZBTUXZGFJC-AALSBFMBSA-N 2 1 264.413 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@H]1C[NH+]1CCCC1)C2 ZINC001169140145 811402127 /nfs/dbraw/zinc/40/21/27/811402127.db2.gz HQHVXGDJOIADLM-YYIAUSFCSA-N 2 1 277.456 2.172 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CC[NH+](C3CCCC3)C1)C2 ZINC001169109024 811402961 /nfs/dbraw/zinc/40/29/61/811402961.db2.gz GJEUTDFEYWVQGI-SRABZTEZSA-N 2 1 277.456 2.218 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001169109024 811402968 /nfs/dbraw/zinc/40/29/68/811402968.db2.gz GJEUTDFEYWVQGI-SRABZTEZSA-N 2 1 277.456 2.218 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001169109024 811402975 /nfs/dbraw/zinc/40/29/75/811402975.db2.gz GJEUTDFEYWVQGI-SRABZTEZSA-N 2 1 277.456 2.218 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ncccc31)C2 ZINC001169108965 811403915 /nfs/dbraw/zinc/40/39/15/811403915.db2.gz XFKGXPZHJVGSAB-OQMKEHIESA-N 2 1 257.381 2.284 20 0 CEADMP COCCC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169142447 811408574 /nfs/dbraw/zinc/40/85/74/811408574.db2.gz UVVFBMVELXQTIV-ZSHCYNCHSA-N 2 1 266.429 2.360 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)CC[NH+](C)CC3)C2 ZINC001169155410 811416829 /nfs/dbraw/zinc/41/68/29/811416829.db2.gz OXDKIHULFDWJLZ-BJWYYQGGSA-N 2 1 291.483 2.419 20 0 CEADMP CCCCOC(=O)[C@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169160330 811420390 /nfs/dbraw/zinc/42/03/90/811420390.db2.gz COSDRHKMDCHZES-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP CCCCOC(=O)[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169160330 811420397 /nfs/dbraw/zinc/42/03/97/811420397.db2.gz COSDRHKMDCHZES-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP CCCCOC(=O)[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169160330 811420400 /nfs/dbraw/zinc/42/04/00/811420400.db2.gz COSDRHKMDCHZES-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccn3ccnc3c2)CCC[C@@H]1C[NH3+] ZINC001206004084 811423397 /nfs/dbraw/zinc/42/33/97/811423397.db2.gz PXIVYLBFUQADQR-UKRRQHHQSA-N 2 1 272.396 2.141 20 0 CEADMP CC(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001044005490 811427609 /nfs/dbraw/zinc/42/76/09/811427609.db2.gz DLOCRTMAJZISDV-MRXNPFEDSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001044005490 811427614 /nfs/dbraw/zinc/42/76/14/811427614.db2.gz DLOCRTMAJZISDV-MRXNPFEDSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](CO)Cc2cccc(Cl)c2)CC1 ZINC001169230127 811444485 /nfs/dbraw/zinc/44/44/85/811444485.db2.gz SANUKGBWVKLVQP-MRXNPFEDSA-N 2 1 296.842 2.317 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@H]2Cc3ccccc3O2)CC1 ZINC001169267866 811473815 /nfs/dbraw/zinc/47/38/15/811473815.db2.gz AIIPZKHXPVCZCD-MRXNPFEDSA-N 2 1 274.408 2.406 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2Cc3ccccc3O2)CC1 ZINC001169267866 811473820 /nfs/dbraw/zinc/47/38/20/811473820.db2.gz AIIPZKHXPVCZCD-MRXNPFEDSA-N 2 1 274.408 2.406 20 0 CEADMP CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044742852 811531617 /nfs/dbraw/zinc/53/16/17/811531617.db2.gz IYYZJTQTZTZGDC-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(=O)N1CC[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169527435 811554019 /nfs/dbraw/zinc/55/40/19/811554019.db2.gz VZMYLYNVOYKLMC-DJIMGWMZSA-N 2 1 293.455 2.122 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(OC)c1C ZINC001206165897 815459627 /nfs/dbraw/zinc/45/96/27/815459627.db2.gz PREXUGJTESUUCX-ZIAGYGMSSA-N 2 1 296.386 2.273 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(OC)c1C ZINC001206165897 815459630 /nfs/dbraw/zinc/45/96/30/815459630.db2.gz PREXUGJTESUUCX-ZIAGYGMSSA-N 2 1 296.386 2.273 20 0 CEADMP C[N@H+]1CC[C@H](c2ccc(-n3ccc(C[NH3+])c3)cc2)C1 ZINC001169727220 811629902 /nfs/dbraw/zinc/62/99/02/811629902.db2.gz QWEVOMDAZBIRBG-HNNXBMFYSA-N 2 1 255.365 2.355 20 0 CEADMP C[NH+](C)CCC(C)(C)Nc1cc(Cl)cc(N)[nH+]1 ZINC001169711277 811637391 /nfs/dbraw/zinc/63/73/91/811637391.db2.gz IACJULPCPICHTL-UHFFFAOYSA-N 2 1 256.781 2.459 20 0 CEADMP C[N@@H+]1CCC[C@@H](CCNc2nc(NC3CC3)cc[nH+]2)C1 ZINC001156381966 811675628 /nfs/dbraw/zinc/67/56/28/811675628.db2.gz YGOXZJQRQKODGD-LBPRGKRZSA-N 2 1 275.400 2.195 20 0 CEADMP C[N@H+]1CCC[C@@H](CCNc2nc(NC3CC3)cc[nH+]2)C1 ZINC001156381966 811675631 /nfs/dbraw/zinc/67/56/31/811675631.db2.gz YGOXZJQRQKODGD-LBPRGKRZSA-N 2 1 275.400 2.195 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCN3)CCC[C@@H]1C[NH3+] ZINC001206026437 811795808 /nfs/dbraw/zinc/79/58/08/811795808.db2.gz SDCUOTSUSGHZEL-XJKSGUPXSA-N 2 1 273.424 2.461 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC1CC(C)C1 ZINC001156529459 811801258 /nfs/dbraw/zinc/80/12/58/811801258.db2.gz AWDUYCJLLKUBLG-HWOWSKLDSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC1CC(C)C1 ZINC001156529459 811801264 /nfs/dbraw/zinc/80/12/64/811801264.db2.gz AWDUYCJLLKUBLG-HWOWSKLDSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)C1 ZINC001156529459 811801272 /nfs/dbraw/zinc/80/12/72/811801272.db2.gz AWDUYCJLLKUBLG-HWOWSKLDSA-N 2 1 297.487 2.201 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169975448 811806464 /nfs/dbraw/zinc/80/64/64/811806464.db2.gz VJKYTXVFFMULQX-UHFFFAOYSA-N 2 1 280.416 2.192 20 0 CEADMP CCCC[NH+](CCCC)CCNc1ncnc2c1C[NH2+]C2 ZINC001156905741 811951353 /nfs/dbraw/zinc/95/13/53/811951353.db2.gz WVRPHWNTBMWKIE-UHFFFAOYSA-N 2 1 291.443 2.394 20 0 CEADMP CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002789 811982117 /nfs/dbraw/zinc/98/21/17/811982117.db2.gz VJOSWXGANWAVSC-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2cc3ccccc3cn2)CC[C@@H]1F ZINC001206173448 815490204 /nfs/dbraw/zinc/49/02/04/815490204.db2.gz HLBVKUXQWWBPPZ-JKSUJKDBSA-N 2 1 273.355 2.496 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3ccccc3cn2)CC[C@@H]1F ZINC001206173448 815490206 /nfs/dbraw/zinc/49/02/06/815490206.db2.gz HLBVKUXQWWBPPZ-JKSUJKDBSA-N 2 1 273.355 2.496 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001172746774 815501248 /nfs/dbraw/zinc/50/12/48/815501248.db2.gz REGAKNORUSYDKU-KGLIPLIRSA-N 2 1 270.417 2.181 20 0 CEADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NCC2C[NH+](C)C2)nc1 ZINC001170253933 812373348 /nfs/dbraw/zinc/37/33/48/812373348.db2.gz SPMLYJSKUHAWKM-AWEZNQCLSA-N 2 1 288.439 2.430 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+]CC[C@@H](O)c2ccccc2)CC1 ZINC001254505025 812419927 /nfs/dbraw/zinc/41/99/27/812419927.db2.gz YAXYQSBEYNNOPB-HZPDHXFCSA-N 2 1 262.397 2.184 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052767420 812459545 /nfs/dbraw/zinc/45/95/45/812459545.db2.gz UYZJYPJXGPZQLP-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129428884 812493347 /nfs/dbraw/zinc/49/33/47/812493347.db2.gz ANORUXTZEXBDOV-AWEZNQCLSA-N 2 1 292.427 2.047 20 0 CEADMP CC[C@H](C)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129430491 812494006 /nfs/dbraw/zinc/49/40/06/812494006.db2.gz SWHIFRLUTGDTIG-HOCLYGCPSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000383778790 812504940 /nfs/dbraw/zinc/50/49/40/812504940.db2.gz KPKCHYCTOBSEPP-QGZVFWFLSA-N 2 1 276.424 2.355 20 0 CEADMP CCC[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000383778790 812504946 /nfs/dbraw/zinc/50/49/46/812504946.db2.gz KPKCHYCTOBSEPP-QGZVFWFLSA-N 2 1 276.424 2.355 20 0 CEADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CCCC1CCC1 ZINC001129839980 812515654 /nfs/dbraw/zinc/51/56/54/812515654.db2.gz CXUFCOSOJKVXDS-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054154942 812544275 /nfs/dbraw/zinc/54/42/75/812544275.db2.gz YXEWFGKHQCWMID-NVXWUHKLSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1cc[nH+]c2cc(N[C@@H](C)[C@H]3C[NH2+]CCO3)ccc12 ZINC001170566568 812685424 /nfs/dbraw/zinc/68/54/24/812685424.db2.gz BDWJHTNXMCKKFE-BLLLJJGKSA-N 2 1 271.364 2.332 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132152743 812792858 /nfs/dbraw/zinc/79/28/58/812792858.db2.gz IIQDNPSQOBYKCE-LSDHHAIUSA-N 2 1 297.487 2.486 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132152743 812792865 /nfs/dbraw/zinc/79/28/65/812792865.db2.gz IIQDNPSQOBYKCE-LSDHHAIUSA-N 2 1 297.487 2.486 20 0 CEADMP CCCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132152743 812792869 /nfs/dbraw/zinc/79/28/69/812792869.db2.gz IIQDNPSQOBYKCE-LSDHHAIUSA-N 2 1 297.487 2.486 20 0 CEADMP CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001050328885 812808692 /nfs/dbraw/zinc/80/86/92/812808692.db2.gz OAKJMVQUKQLRDP-YHUYYLMFSA-N 2 1 295.471 2.001 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132265067 812814378 /nfs/dbraw/zinc/81/43/78/812814378.db2.gz HQQSCKGVHQGGKT-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CCC(C)C)C1 ZINC001132409699 812844734 /nfs/dbraw/zinc/84/47/34/812844734.db2.gz CYTMLKYRKWVJKC-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC(C)C)C1 ZINC001132409699 812844742 /nfs/dbraw/zinc/84/47/42/812844742.db2.gz CYTMLKYRKWVJKC-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC(C)C)C1 ZINC001132409699 812844750 /nfs/dbraw/zinc/84/47/50/812844750.db2.gz CYTMLKYRKWVJKC-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCC)CC1 ZINC001052426155 812990818 /nfs/dbraw/zinc/99/08/18/812990818.db2.gz LLYZRHWNJCKSEN-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC)CC1 ZINC001052426155 812990822 /nfs/dbraw/zinc/99/08/22/812990822.db2.gz LLYZRHWNJCKSEN-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC)CC1 ZINC001052426155 812990826 /nfs/dbraw/zinc/99/08/26/812990826.db2.gz LLYZRHWNJCKSEN-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052496341 812998633 /nfs/dbraw/zinc/99/86/33/812998633.db2.gz WGAMUFBAGCPYSF-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001052496341 812998640 /nfs/dbraw/zinc/99/86/40/812998640.db2.gz WGAMUFBAGCPYSF-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001052496341 812998646 /nfs/dbraw/zinc/99/86/46/812998646.db2.gz WGAMUFBAGCPYSF-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052618987 813014115 /nfs/dbraw/zinc/01/41/15/813014115.db2.gz BNKTWHLUFMLHSF-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CCCOC1CCC([NH2+]C2CC[NH+](CCOC)CC2)CC1 ZINC001173094415 815576384 /nfs/dbraw/zinc/57/63/84/815576384.db2.gz YETBKYNEWAMXHE-UHFFFAOYSA-N 2 1 298.471 2.425 20 0 CEADMP C[N@@H+](CCCCCCO)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394467511 813407508 /nfs/dbraw/zinc/40/75/08/813407508.db2.gz VBQGSYIRPMRJES-YIONKMFJSA-N 2 1 254.418 2.096 20 0 CEADMP C[NH+](CCCCCCO)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394467511 813407511 /nfs/dbraw/zinc/40/75/11/813407511.db2.gz VBQGSYIRPMRJES-YIONKMFJSA-N 2 1 254.418 2.096 20 0 CEADMP C[NH+](CCCCCCO)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394467511 813407514 /nfs/dbraw/zinc/40/75/14/813407514.db2.gz VBQGSYIRPMRJES-YIONKMFJSA-N 2 1 254.418 2.096 20 0 CEADMP CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583793 813469285 /nfs/dbraw/zinc/46/92/85/813469285.db2.gz FNWHEEIKWNBMBU-KGLIPLIRSA-N 2 1 294.443 2.289 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071796644 813486555 /nfs/dbraw/zinc/48/65/55/813486555.db2.gz VGLCKXLQTZFPPB-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc2c(C)cc[nH+]c2c1 ZINC001170872892 813571384 /nfs/dbraw/zinc/57/13/84/813571384.db2.gz XDWZXQATSUIVOS-GDBMZVCRSA-N 2 1 299.374 2.106 20 0 CEADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170872736 813571757 /nfs/dbraw/zinc/57/17/57/813571757.db2.gz ZVWNAMBVHBRGRS-BZUAXINKSA-N 2 1 297.487 2.247 20 0 CEADMP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135980936 813577167 /nfs/dbraw/zinc/57/71/67/813577167.db2.gz VBTZUWMZHKEZJQ-HUUCEWRRSA-N 2 1 285.476 2.391 20 0 CEADMP CCNC(=[NH2+])NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398046744 813652856 /nfs/dbraw/zinc/65/28/56/813652856.db2.gz CHEOXRPODJVLLB-MRXNPFEDSA-N 2 1 274.412 2.175 20 0 CEADMP [NH3+]C[C@]1(F)CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC001246018424 813663355 /nfs/dbraw/zinc/66/33/55/813663355.db2.gz DRMAFLGFAIZIRJ-CABCVRRESA-N 2 1 284.350 2.012 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000399261748 813705887 /nfs/dbraw/zinc/70/58/87/813705887.db2.gz OYERMUNQSOXOMM-ZJUUUORDSA-N 2 1 251.201 2.112 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000399261748 813705894 /nfs/dbraw/zinc/70/58/94/813705894.db2.gz OYERMUNQSOXOMM-ZJUUUORDSA-N 2 1 251.201 2.112 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000399274841 813706966 /nfs/dbraw/zinc/70/69/66/813706966.db2.gz VNQYHKTXUUYETP-ZJUUUORDSA-N 2 1 251.201 2.241 20 0 CEADMP Cc1ccn2c(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)cnc2c1 ZINC001136886227 813788573 /nfs/dbraw/zinc/78/85/73/813788573.db2.gz AVYSGOYPFXWEAN-CABCVRRESA-N 2 1 284.407 2.026 20 0 CEADMP Cc1ccn2c(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)cnc2c1 ZINC001136886227 813788580 /nfs/dbraw/zinc/78/85/80/813788580.db2.gz AVYSGOYPFXWEAN-CABCVRRESA-N 2 1 284.407 2.026 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC2(C)C)C[C@H](CC)[NH2+]1 ZINC001246370640 813805017 /nfs/dbraw/zinc/80/50/17/813805017.db2.gz FBRSAPPFMOYZKC-XGUBFFRZSA-N 3 1 267.461 2.273 20 0 CEADMP CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246369601 813806918 /nfs/dbraw/zinc/80/69/18/813806918.db2.gz CEZJIHZXIQYJOK-RBSFLKMASA-N 3 1 267.461 2.275 20 0 CEADMP CCCCOC(=O)CC[C@H](C)[NH2+][C@@]1(CC)CC[NH2+]C1 ZINC001246464658 813849204 /nfs/dbraw/zinc/84/92/04/813849204.db2.gz SEHBYWLGJNXKCU-ZFWWWQNUSA-N 2 1 270.417 2.230 20 0 CEADMP C[NH2+]CC[C@H](C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC001246519474 813887337 /nfs/dbraw/zinc/88/73/37/813887337.db2.gz ADUMYKQSDGEAHW-INIZCTEOSA-N 2 1 275.440 2.423 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001246539123 813942955 /nfs/dbraw/zinc/94/29/55/813942955.db2.gz ASIWJGPLMKXOBI-UPJWGTAASA-N 2 1 294.361 2.283 20 0 CEADMP COc1cccc(C[C@@H](C)[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001246539787 813948670 /nfs/dbraw/zinc/94/86/70/813948670.db2.gz ISKVVHUMJNTEBW-GZBFAFLISA-N 2 1 262.397 2.153 20 0 CEADMP COc1ccccc1[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246539745 813948803 /nfs/dbraw/zinc/94/88/03/813948803.db2.gz RYEMZRGIJWWAHU-ZDUSSCGKSA-N 2 1 260.381 2.237 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc(O)c3C)C[C@H]2C1 ZINC001144120840 813963570 /nfs/dbraw/zinc/96/35/70/813963570.db2.gz ARUVWKRCZCKQRM-HZPDHXFCSA-N 2 1 274.408 2.474 20 0 CEADMP C[C@@H]1CC[NH2+]CC[N@@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001246548711 813996780 /nfs/dbraw/zinc/99/67/80/813996780.db2.gz GBYIDGKTUSYRRR-TZMCWYRMSA-N 2 1 262.372 2.367 20 0 CEADMP C[C@@H]1CC[NH2+]CC[N@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001246548711 813996785 /nfs/dbraw/zinc/99/67/85/813996785.db2.gz GBYIDGKTUSYRRR-TZMCWYRMSA-N 2 1 262.372 2.367 20 0 CEADMP COc1cccc(C[C@@H](C)[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001246550422 814004014 /nfs/dbraw/zinc/00/40/14/814004014.db2.gz XWIKCCHPSDSJCB-HIFRSBDPSA-N 2 1 262.397 2.439 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CC1CCOCC1 ZINC001255955489 814060112 /nfs/dbraw/zinc/06/01/12/814060112.db2.gz AEGUFBZQNPWMAN-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP CC(C)[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100405964 814107797 /nfs/dbraw/zinc/10/77/97/814107797.db2.gz VMTVNWYQFILECZ-GPANFISMSA-N 2 1 295.471 2.142 20 0 CEADMP CC[N@H+](C)C1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144627264 814132436 /nfs/dbraw/zinc/13/24/36/814132436.db2.gz LNDHKXFCHMBVJC-UHFFFAOYSA-N 2 1 272.396 2.250 20 0 CEADMP CC[N@@H+](C)C1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144627264 814132437 /nfs/dbraw/zinc/13/24/37/814132437.db2.gz LNDHKXFCHMBVJC-UHFFFAOYSA-N 2 1 272.396 2.250 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001256145021 814143085 /nfs/dbraw/zinc/14/30/85/814143085.db2.gz VRBNYAJIZZJGPN-HIFRSBDPSA-N 2 1 262.397 2.168 20 0 CEADMP CC1(C)CCC[C@H]([N@H+]2CCO[C@]3(CCC[NH2+]C3)C2)C1 ZINC001246622780 814220769 /nfs/dbraw/zinc/22/07/69/814220769.db2.gz RYQSXDVYLRSYRP-HOCLYGCPSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)CC(CC(C)C)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246626650 814224240 /nfs/dbraw/zinc/22/42/40/814224240.db2.gz SOOOEZDYOMPAGS-MRXNPFEDSA-N 2 1 267.461 2.085 20 0 CEADMP COc1ccc(Cl)c2c1C[C@H]([N@@H+](C)CCC[NH3+])CC2 ZINC001246681692 814255936 /nfs/dbraw/zinc/25/59/36/814255936.db2.gz PSIRJFSNOWWXEL-LLVKDONJSA-N 2 1 282.815 2.487 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC=C(C)C ZINC001147357980 814427001 /nfs/dbraw/zinc/42/70/01/814427001.db2.gz BGPMBBREGXKZNH-MRXNPFEDSA-N 2 1 295.471 2.313 20 0 CEADMP CC(C)(C)[NH+]1CC(NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256565490 814472130 /nfs/dbraw/zinc/47/21/30/814472130.db2.gz BSVBFWBGLRHKED-UHFFFAOYSA-N 2 1 267.461 2.322 20 0 CEADMP CC[NH+](CC)CCCCNC(=O)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001148903797 814622029 /nfs/dbraw/zinc/62/20/29/814622029.db2.gz GMKMLVWBMIVCGN-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@H]2CO)CC1 ZINC001173108405 815582553 /nfs/dbraw/zinc/58/25/53/815582553.db2.gz JKCIRQDFLXPNIC-UYSNPLJNSA-N 2 1 268.445 2.486 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H]2C(=O)OC)CC1 ZINC001173110077 815582987 /nfs/dbraw/zinc/58/29/87/815582987.db2.gz OAEAAZULQREYNI-YMAMQOFZSA-N 2 1 282.428 2.277 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@](C)(O)C2)CC1 ZINC001173114732 815584118 /nfs/dbraw/zinc/58/41/18/815584118.db2.gz RUPIGHRQYHSTHH-GPANFISMSA-N 2 1 268.445 2.486 20 0 CEADMP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173116672 815585470 /nfs/dbraw/zinc/58/54/70/815585470.db2.gz VEWBIKKBHOOQDF-CYBMUJFWSA-N 2 1 282.428 2.217 20 0 CEADMP C[N@@H+](C[C@@H]1CCC2(CCC2)O1)C1CCC([NH3+])CC1 ZINC000712418294 814745037 /nfs/dbraw/zinc/74/50/37/814745037.db2.gz SEFHFNCHFUYNBM-RUXDESIVSA-N 2 1 252.402 2.290 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC(C)(C)CO2)CC[C@H]1[NH3+] ZINC000713595999 814865384 /nfs/dbraw/zinc/86/53/84/814865384.db2.gz KHPXEEPHZBXZBB-MGPQQGTHSA-N 2 1 254.418 2.251 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCC(C)(C)CO1 ZINC000713596740 814865579 /nfs/dbraw/zinc/86/55/79/814865579.db2.gz NGGXDFCGTOKJTM-KBPBESRZSA-N 2 1 256.434 2.497 20 0 CEADMP c1csc(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000714994161 814921240 /nfs/dbraw/zinc/92/12/40/814921240.db2.gz GODFUTJAEBZXHO-OCCSQVGLSA-N 2 1 250.411 2.365 20 0 CEADMP CCCC[C@H](CC(C)C)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001173249708 815639279 /nfs/dbraw/zinc/63/92/79/815639279.db2.gz JGTPPKYGJGFZRQ-ZIAGYGMSSA-N 2 1 272.433 2.461 20 0 CEADMP CC[N@H+]1CC[C@H](N(CCC[NH3+])C2CCCCC2)C1 ZINC001173351721 815687354 /nfs/dbraw/zinc/68/73/54/815687354.db2.gz YQGLMTIZVXTVBO-HNNXBMFYSA-N 2 1 253.434 2.064 20 0 CEADMP CCN1CC[C@H]([N@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001173351721 815687357 /nfs/dbraw/zinc/68/73/57/815687357.db2.gz YQGLMTIZVXTVBO-HNNXBMFYSA-N 2 1 253.434 2.064 20 0 CEADMP CCN1CC[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001173351721 815687363 /nfs/dbraw/zinc/68/73/63/815687363.db2.gz YQGLMTIZVXTVBO-HNNXBMFYSA-N 2 1 253.434 2.064 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173354342 815694068 /nfs/dbraw/zinc/69/40/68/815694068.db2.gz NMWOOBAGGLSSLN-RBSFLKMASA-N 2 1 253.434 2.061 20 0 CEADMP CC[N@H+]1CC[C@H](n2cncc2-c2cccc(C[NH3+])c2)C1 ZINC001173355940 815696487 /nfs/dbraw/zinc/69/64/87/815696487.db2.gz ACPKNFXDBOJVIC-HNNXBMFYSA-N 2 1 270.380 2.276 20 0 CEADMP CC[N@H+]1CC[C@H](Nc2c(Br)cccc2C[NH3+])C1 ZINC001173358580 815699466 /nfs/dbraw/zinc/69/94/66/815699466.db2.gz QCNPMRRHOROCBY-NSHDSACASA-N 2 1 298.228 2.414 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CCCCC(=O)OC)C[C@@H]2C1 ZINC001173459553 815738516 /nfs/dbraw/zinc/73/85/16/815738516.db2.gz NWIJSIXSABUMFS-HRCADAONSA-N 2 1 296.455 2.382 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)CCCCC(=O)OC)C[C@@H]2C1 ZINC001173459553 815738521 /nfs/dbraw/zinc/73/85/21/815738521.db2.gz NWIJSIXSABUMFS-HRCADAONSA-N 2 1 296.455 2.382 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001173462525 815740739 /nfs/dbraw/zinc/74/07/39/815740739.db2.gz VZOFWLGHYNYFQL-GOEBONIOSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001173462525 815740745 /nfs/dbraw/zinc/74/07/45/815740745.db2.gz VZOFWLGHYNYFQL-GOEBONIOSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001173462525 815740749 /nfs/dbraw/zinc/74/07/49/815740749.db2.gz VZOFWLGHYNYFQL-GOEBONIOSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001173623295 815766543 /nfs/dbraw/zinc/76/65/43/815766543.db2.gz RHEWCFFNISBDSN-DGADGQDISA-N 2 1 294.439 2.323 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC001173650521 815791443 /nfs/dbraw/zinc/79/14/43/815791443.db2.gz LSVJEFSCOWGXMY-KBXIAJHMSA-N 2 1 282.428 2.038 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC001173650521 815791447 /nfs/dbraw/zinc/79/14/47/815791447.db2.gz LSVJEFSCOWGXMY-KBXIAJHMSA-N 2 1 282.428 2.038 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC001138545581 815826572 /nfs/dbraw/zinc/82/65/72/815826572.db2.gz ZXEGBSUEOBJESE-UHFFFAOYSA-N 2 1 285.391 2.385 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(Cc3cnc4[nH]ccc4c3)C2)C1 ZINC001138737656 815883491 /nfs/dbraw/zinc/88/34/91/815883491.db2.gz KDHDDENNFFSEKP-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cnc4[nH]ccc4c3)C2)C1 ZINC001138737656 815883508 /nfs/dbraw/zinc/88/35/08/815883508.db2.gz KDHDDENNFFSEKP-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cnc4[nH]ccc4c3)C2)C1 ZINC001138737656 815883513 /nfs/dbraw/zinc/88/35/13/815883513.db2.gz KDHDDENNFFSEKP-INIZCTEOSA-N 2 1 270.380 2.091 20 0 CEADMP COc1cc(O)ccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001139138393 815966431 /nfs/dbraw/zinc/96/64/31/815966431.db2.gz QZPFSRBGMXXCCA-UHFFFAOYSA-N 2 1 299.374 2.118 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4nsnc4c3)C[C@@H]2C1 ZINC001139211529 815987687 /nfs/dbraw/zinc/98/76/87/815987687.db2.gz MEFDBKHEJNUWKJ-OLZOCXBDSA-N 2 1 288.420 2.075 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4nsnc4c3)C[C@@H]2C1 ZINC001139211529 815987689 /nfs/dbraw/zinc/98/76/89/815987689.db2.gz MEFDBKHEJNUWKJ-OLZOCXBDSA-N 2 1 288.420 2.075 20 0 CEADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC3(C)C)s2)CC1 ZINC001139320318 816003491 /nfs/dbraw/zinc/00/34/91/816003491.db2.gz SIZYIFIZENAUMI-UHFFFAOYSA-N 2 1 294.468 2.269 20 0 CEADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC3(C)C)s2)CC1 ZINC001139320318 816003494 /nfs/dbraw/zinc/00/34/94/816003494.db2.gz SIZYIFIZENAUMI-UHFFFAOYSA-N 2 1 294.468 2.269 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cnccn4)cc3)C[C@@H]2C1 ZINC001139392854 816016498 /nfs/dbraw/zinc/01/64/98/816016498.db2.gz BOAXRCGGGDDOAE-CALCHBBNSA-N 2 1 294.402 2.137 20 0 CEADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175255843 816163409 /nfs/dbraw/zinc/16/34/09/816163409.db2.gz HSCWUKMJPUDTMR-CVEARBPZSA-N 2 1 297.487 2.391 20 0 CEADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175265499 816165619 /nfs/dbraw/zinc/16/56/19/816165619.db2.gz YSEHRLQBHDWFSN-JKSUJKDBSA-N 2 1 297.487 2.249 20 0 CEADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccncc1O)CC2 ZINC001140281100 816225174 /nfs/dbraw/zinc/22/51/74/816225174.db2.gz WUJQDOSXHYBEHA-UHFFFAOYSA-N 2 1 275.396 2.095 20 0 CEADMP C[NH+]1CCC2(C[NH+](Cc3cnc4cc[nH]cc3-4)C2)CC1 ZINC001140805131 816368199 /nfs/dbraw/zinc/36/81/99/816368199.db2.gz SXIKJRIBXPGXII-UHFFFAOYSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CCC2(C[NH+](Cc3c[nH]c4cc[nH+]cc34)C2)CC1 ZINC001140805131 816368205 /nfs/dbraw/zinc/36/82/05/816368205.db2.gz SXIKJRIBXPGXII-UHFFFAOYSA-N 3 1 270.380 2.091 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001140806793 816369274 /nfs/dbraw/zinc/36/92/74/816369274.db2.gz SBMXHCVNJICWHX-CYBMUJFWSA-N 2 1 295.346 2.006 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001140806793 816369278 /nfs/dbraw/zinc/36/92/78/816369278.db2.gz SBMXHCVNJICWHX-CYBMUJFWSA-N 2 1 295.346 2.006 20 0 CEADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176292466 816379663 /nfs/dbraw/zinc/37/96/63/816379663.db2.gz KIQKVJZIVUGMBT-CQSZACIVSA-N 2 1 271.449 2.003 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CC(C)C1 ZINC001176992609 816505438 /nfs/dbraw/zinc/50/54/38/816505438.db2.gz VRRVMQIBCGWCPA-UYSNPLJNSA-N 2 1 295.471 2.003 20 0 CEADMP CC[NH+]1CCC(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001206296527 816530965 /nfs/dbraw/zinc/53/09/65/816530965.db2.gz UBNGPJGLHWQWBN-INIZCTEOSA-N 3 1 267.461 2.169 20 0 CEADMP CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+](C)C(C)C ZINC001177488928 816567609 /nfs/dbraw/zinc/56/76/09/816567609.db2.gz OUBLKVSMGHFARE-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cnc1F ZINC001206317290 816678321 /nfs/dbraw/zinc/67/83/21/816678321.db2.gz FFERHVYMZLRHNN-OAHLLOKOSA-N 2 1 265.376 2.480 20 0 CEADMP CCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178730770 816789529 /nfs/dbraw/zinc/78/95/29/816789529.db2.gz BYMFXYBDNSNAGX-QXSJWSMHSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178811090 816797328 /nfs/dbraw/zinc/79/73/28/816797328.db2.gz QGZHSZYTGKAZIO-CVEARBPZSA-N 2 1 295.471 2.289 20 0 CEADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178832086 816799932 /nfs/dbraw/zinc/79/99/32/816799932.db2.gz DCSITYOOZWEBCC-MRXNPFEDSA-N 2 1 297.487 2.393 20 0 CEADMP CN1CCC([N@@H+](C)Cc2cc3cccnc3[nH]2)CC1 ZINC001143211650 816811682 /nfs/dbraw/zinc/81/16/82/816811682.db2.gz HQPQCIOWIIXQOF-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP CN(Cc1cc2cccnc2[nH]1)C1CC[NH+](C)CC1 ZINC001143211650 816811691 /nfs/dbraw/zinc/81/16/91/816811691.db2.gz HQPQCIOWIIXQOF-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC1CCCCC1 ZINC001161226722 816817464 /nfs/dbraw/zinc/81/74/64/816817464.db2.gz NKBGAKCQSJKMJL-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP CC(C)[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580296 816884979 /nfs/dbraw/zinc/88/49/79/816884979.db2.gz CZKRFJLJIAAVAJ-HNNXBMFYSA-N 2 1 283.460 2.145 20 0 CEADMP CC[C@H](C)[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124337112 187133154 /nfs/dbraw/zinc/13/31/54/187133154.db2.gz VKOXWYJKAJQTRQ-LSDHHAIUSA-N 2 1 269.477 2.284 20 0 CEADMP CCOC(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OCC ZINC000124373895 187134694 /nfs/dbraw/zinc/13/46/94/187134694.db2.gz KHDUTDAAFMIYGH-OAHLLOKOSA-N 2 1 284.444 2.336 20 0 CEADMP CCOC(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OCC ZINC000124373895 187134695 /nfs/dbraw/zinc/13/46/95/187134695.db2.gz KHDUTDAAFMIYGH-OAHLLOKOSA-N 2 1 284.444 2.336 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352518125 282089976 /nfs/dbraw/zinc/08/99/76/282089976.db2.gz HAVUWOWYGWZNNV-CQSZACIVSA-N 2 1 272.396 2.346 20 0 CEADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC000121185879 365531961 /nfs/dbraw/zinc/53/19/61/365531961.db2.gz RVMRRGMKDYOOSL-CYBMUJFWSA-N 2 1 275.396 2.088 20 0 CEADMP CC(C)[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000621157310 349516061 /nfs/dbraw/zinc/51/60/61/349516061.db2.gz SXHFYSSPEJHRJO-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCCC1 ZINC000449094406 282098045 /nfs/dbraw/zinc/09/80/45/282098045.db2.gz RQRZVNYEPNDFMQ-MRXNPFEDSA-N 2 1 268.445 2.392 20 0 CEADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000035009528 361802356 /nfs/dbraw/zinc/80/23/56/361802356.db2.gz DGGBHVZLXHGDEO-SFHVURJKSA-N 2 1 287.451 2.335 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000449134917 282113683 /nfs/dbraw/zinc/11/36/83/282113683.db2.gz MGPQSLLUGSSJLE-HZPDHXFCSA-N 2 1 295.471 2.132 20 0 CEADMP CCCNC(=O)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000125048879 365664372 /nfs/dbraw/zinc/66/43/72/365664372.db2.gz ARPISKIIZCRDAH-MRXNPFEDSA-N 2 1 295.471 2.101 20 0 CEADMP COC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000125189790 187173943 /nfs/dbraw/zinc/17/39/43/187173943.db2.gz HDSFONOCDGOERV-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000621328103 349562447 /nfs/dbraw/zinc/56/24/47/349562447.db2.gz GVTQVRPUFUAROW-CYBMUJFWSA-N 2 1 275.396 2.054 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000621328103 349562450 /nfs/dbraw/zinc/56/24/50/349562450.db2.gz GVTQVRPUFUAROW-CYBMUJFWSA-N 2 1 275.396 2.054 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000621330059 349562907 /nfs/dbraw/zinc/56/29/07/349562907.db2.gz XULCNIQDXQSBOO-CQSZACIVSA-N 2 1 277.412 2.302 20 0 CEADMP CCCc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)s1 ZINC000621330307 349563227 /nfs/dbraw/zinc/56/32/27/349563227.db2.gz GZWFWRBFKCILLG-ZDUSSCGKSA-N 2 1 282.453 2.247 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601333895 346822852 /nfs/dbraw/zinc/82/28/52/346822852.db2.gz IBLSLWHIYVPYDT-HZPDHXFCSA-N 2 1 288.391 2.047 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000037644078 361915101 /nfs/dbraw/zinc/91/51/01/361915101.db2.gz FEAYZQUOHJWNJR-STQMWFEESA-N 2 1 276.380 2.408 20 0 CEADMP Cn1nccc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000037901177 361961298 /nfs/dbraw/zinc/96/12/98/361961298.db2.gz ORUORDUGOFNUFR-UHFFFAOYSA-N 2 1 264.417 2.164 20 0 CEADMP Cn1nccc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037901177 361961301 /nfs/dbraw/zinc/96/13/01/361961301.db2.gz ORUORDUGOFNUFR-UHFFFAOYSA-N 2 1 264.417 2.164 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000097996872 529430697 /nfs/dbraw/zinc/43/06/97/529430697.db2.gz IUSGLUADGMNBTO-KZNAEPCWSA-N 2 1 288.435 2.461 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000097996872 529430699 /nfs/dbraw/zinc/43/06/99/529430699.db2.gz IUSGLUADGMNBTO-KZNAEPCWSA-N 2 1 288.435 2.461 20 0 CEADMP Cc1nccnc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000621719795 349676426 /nfs/dbraw/zinc/67/64/26/349676426.db2.gz WSSXSKZXRBPYDU-PBHICJAKSA-N 2 1 286.423 2.234 20 0 CEADMP FC1(F)C[C@H]1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000621733104 349685669 /nfs/dbraw/zinc/68/56/69/349685669.db2.gz BBGPSVKKLSURPJ-OCCSQVGLSA-N 2 1 288.382 2.265 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3O)CC[N@@H+]1C ZINC000130253476 539185725 /nfs/dbraw/zinc/18/57/25/539185725.db2.gz OGLVRSYMRSQFKD-TYNCELHUSA-N 2 1 260.381 2.452 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3O)CC[N@H+]1C ZINC000130253476 539185726 /nfs/dbraw/zinc/18/57/26/539185726.db2.gz OGLVRSYMRSQFKD-TYNCELHUSA-N 2 1 260.381 2.452 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000090409148 539186505 /nfs/dbraw/zinc/18/65/05/539186505.db2.gz XWIVJGIETAGPMX-GXTWGEPZSA-N 2 1 297.468 2.339 20 0 CEADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)C1CC[NH+](C)CC1 ZINC000125547537 539219169 /nfs/dbraw/zinc/21/91/69/539219169.db2.gz RSIACUHMWZZUFH-AWEZNQCLSA-N 3 1 267.461 2.181 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1)C1CCCCC1 ZINC000621784252 349702030 /nfs/dbraw/zinc/70/20/30/349702030.db2.gz LWEBNTUBHYXWKQ-XHSDSOJGSA-N 2 1 266.429 2.395 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccncc1 ZINC000677239974 539212739 /nfs/dbraw/zinc/21/27/39/539212739.db2.gz BKTSXRYJUNCKBF-VNQPRFMTSA-N 2 1 259.397 2.402 20 0 CEADMP CCn1nccc1CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000621775239 349698100 /nfs/dbraw/zinc/69/81/00/349698100.db2.gz JFYIQIKRYDONNH-JKSUJKDBSA-N 2 1 290.455 2.157 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000305711521 539225378 /nfs/dbraw/zinc/22/53/78/539225378.db2.gz XWIVJGIETAGPMX-JSGCOSHPSA-N 2 1 297.468 2.339 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000261617696 539227550 /nfs/dbraw/zinc/22/75/50/539227550.db2.gz UGFCCOKMRZZODV-LSDHHAIUSA-N 2 1 260.381 2.187 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000261617696 539227551 /nfs/dbraw/zinc/22/75/51/539227551.db2.gz UGFCCOKMRZZODV-LSDHHAIUSA-N 2 1 260.381 2.187 20 0 CEADMP C[C@H](O)C1([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000668698052 539240229 /nfs/dbraw/zinc/24/02/29/539240229.db2.gz SGJNWOABGMQTIZ-AWEZNQCLSA-N 2 1 274.408 2.154 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@]2(C)CCCC[NH2+]2)cn1 ZINC000237648666 282198339 /nfs/dbraw/zinc/19/83/39/282198339.db2.gz YVTACNQVKUCTKQ-MRXNPFEDSA-N 2 1 299.378 2.046 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C[C@H]1C ZINC000449367853 282202825 /nfs/dbraw/zinc/20/28/25/282202825.db2.gz ZHVONPHNWJXHAM-UGUYLWEFSA-N 2 1 295.471 2.225 20 0 CEADMP Cc1ccc(CCC[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000622003777 349763870 /nfs/dbraw/zinc/76/38/70/349763870.db2.gz FTAKHIYAIWNEQP-HZPDHXFCSA-N 2 1 259.397 2.136 20 0 CEADMP Cc1ccc(CCC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000622003777 349763871 /nfs/dbraw/zinc/76/38/71/349763871.db2.gz FTAKHIYAIWNEQP-HZPDHXFCSA-N 2 1 259.397 2.136 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000347779621 282205437 /nfs/dbraw/zinc/20/54/37/282205437.db2.gz FOLOFBUYKAGKSX-CABCVRRESA-N 2 1 279.428 2.311 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000347779621 282205439 /nfs/dbraw/zinc/20/54/39/282205439.db2.gz FOLOFBUYKAGKSX-CABCVRRESA-N 2 1 279.428 2.311 20 0 CEADMP Clc1ccccc1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000622022417 349772890 /nfs/dbraw/zinc/77/28/90/349772890.db2.gz LXVPGTZIFGTMFQ-CHWSQXEVSA-N 2 1 250.773 2.034 20 0 CEADMP CN(CCCC[NH+](C)C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000081789804 539266885 /nfs/dbraw/zinc/26/68/85/539266885.db2.gz XEJYLGXSIBRPRH-INIZCTEOSA-N 2 1 291.439 2.090 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CCC(C)(C)O1 ZINC000360118060 282215718 /nfs/dbraw/zinc/21/57/18/282215718.db2.gz ZMMDFNJWOLRHAZ-FPCVCCKLSA-N 2 1 296.455 2.128 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@H]1[NH3+] ZINC000336625655 365737192 /nfs/dbraw/zinc/73/71/92/365737192.db2.gz MSVNAUJEWOXEGO-MLGOLLRUSA-N 2 1 288.370 2.181 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@H]1[NH3+] ZINC000336625655 365737196 /nfs/dbraw/zinc/73/71/96/365737196.db2.gz MSVNAUJEWOXEGO-MLGOLLRUSA-N 2 1 288.370 2.181 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]CC2(C)CCC2)CCCO1 ZINC000434780452 539299403 /nfs/dbraw/zinc/29/94/03/539299403.db2.gz ZWOVSORXBJWSAB-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000675748085 539301296 /nfs/dbraw/zinc/30/12/96/539301296.db2.gz ADJSKHVYXCSCHQ-OAHLLOKOSA-N 2 1 273.424 2.197 20 0 CEADMP CC[N@@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C)n2)C[C@@H]1C ZINC000436436510 539302263 /nfs/dbraw/zinc/30/22/63/539302263.db2.gz JTRJHBTTXGAQNK-JSGCOSHPSA-N 2 1 262.401 2.402 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)c2cc(C)[nH+]c(C)n2)C[C@@H]1C ZINC000436436510 539302264 /nfs/dbraw/zinc/30/22/64/539302264.db2.gz JTRJHBTTXGAQNK-JSGCOSHPSA-N 2 1 262.401 2.402 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2scnc2C)[C@H](C)C1 ZINC000449466550 282248392 /nfs/dbraw/zinc/24/83/92/282248392.db2.gz HFTFSXHMKQDYMT-YPMHNXCESA-N 2 1 267.442 2.314 20 0 CEADMP CC(C)(CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000020196231 343375791 /nfs/dbraw/zinc/37/57/91/343375791.db2.gz CXQYDASMXALQRT-UHFFFAOYSA-N 2 1 262.397 2.012 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)CC1 ZINC000449507108 282262943 /nfs/dbraw/zinc/26/29/43/282262943.db2.gz DNRJMEFXNZOLEN-HOTGVXAUSA-N 2 1 270.461 2.349 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000333177257 539321564 /nfs/dbraw/zinc/32/15/64/539321564.db2.gz RDNGYKCYCBOYOA-QPSCCSFWSA-N 3 1 253.434 2.157 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000622181981 349810580 /nfs/dbraw/zinc/81/05/80/349810580.db2.gz PJZBDRFQRFZSSX-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000622181981 349810585 /nfs/dbraw/zinc/81/05/85/349810585.db2.gz PJZBDRFQRFZSSX-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000622181981 349810589 /nfs/dbraw/zinc/81/05/89/349810589.db2.gz PJZBDRFQRFZSSX-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@H](C[NH3+])CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654605 365751777 /nfs/dbraw/zinc/75/17/77/365751777.db2.gz CLKDKOVUZPYWQP-HLLBOEOZSA-N 2 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654605 365751781 /nfs/dbraw/zinc/75/17/81/365751781.db2.gz CLKDKOVUZPYWQP-HLLBOEOZSA-N 3 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654605 365751785 /nfs/dbraw/zinc/75/17/85/365751785.db2.gz CLKDKOVUZPYWQP-HLLBOEOZSA-N 3 1 275.440 2.081 20 0 CEADMP C[N@@H+](C[C@H]1CCC(C)(C)O1)C[C@@H]1CCC[NH+](C)C1 ZINC000336691979 365762193 /nfs/dbraw/zinc/76/21/93/365762193.db2.gz BGVIFIZSQBUTFI-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+](C[C@H]1CCC(C)(C)O1)C[C@@H]1CCC[N@H+](C)C1 ZINC000336691979 365762196 /nfs/dbraw/zinc/76/21/96/365762196.db2.gz BGVIFIZSQBUTFI-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+](C[C@H]1CCC(C)(C)O1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336691979 365762200 /nfs/dbraw/zinc/76/22/00/365762200.db2.gz BGVIFIZSQBUTFI-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336700434 365765663 /nfs/dbraw/zinc/76/56/63/365765663.db2.gz DVNIGSWGIQMDEH-KRWDZBQOSA-N 2 1 276.424 2.352 20 0 CEADMP CC(C)[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336700434 365765668 /nfs/dbraw/zinc/76/56/68/365765668.db2.gz DVNIGSWGIQMDEH-KRWDZBQOSA-N 2 1 276.424 2.352 20 0 CEADMP CC(C)[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336700434 365765673 /nfs/dbraw/zinc/76/56/73/365765673.db2.gz DVNIGSWGIQMDEH-KRWDZBQOSA-N 2 1 276.424 2.352 20 0 CEADMP CC(C)[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336700434 365765678 /nfs/dbraw/zinc/76/56/78/365765678.db2.gz DVNIGSWGIQMDEH-KRWDZBQOSA-N 2 1 276.424 2.352 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000052210041 343558477 /nfs/dbraw/zinc/55/84/77/343558477.db2.gz WIQCVERVYSOCMY-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000297555517 539326311 /nfs/dbraw/zinc/32/63/11/539326311.db2.gz ARVBXIDGPYOLAS-QGZVFWFLSA-N 2 1 299.418 2.456 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000297555512 539326378 /nfs/dbraw/zinc/32/63/78/539326378.db2.gz ARVBXIDGPYOLAS-KRWDZBQOSA-N 2 1 299.418 2.456 20 0 CEADMP CC(C)OCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336707829 365771499 /nfs/dbraw/zinc/77/14/99/365771499.db2.gz IZDCXQPUEKUAMY-OAHLLOKOSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)OCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336707829 365771502 /nfs/dbraw/zinc/77/15/02/365771502.db2.gz IZDCXQPUEKUAMY-OAHLLOKOSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)OCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336707829 365771505 /nfs/dbraw/zinc/77/15/05/365771505.db2.gz IZDCXQPUEKUAMY-OAHLLOKOSA-N 2 1 254.418 2.075 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)C[C@H]12 ZINC000351480169 219100132 /nfs/dbraw/zinc/10/01/32/219100132.db2.gz UEEYSMQLWGJYNV-FPMFFAJLSA-N 2 1 282.334 2.457 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)C[C@@H]12 ZINC000351486799 219102685 /nfs/dbraw/zinc/10/26/85/219102685.db2.gz BDTHSJNWPGAFSI-NWANDNLSSA-N 2 1 283.375 2.110 20 0 CEADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000295077496 199332970 /nfs/dbraw/zinc/33/29/70/199332970.db2.gz RREOQNVIHFLFLC-CABCVRRESA-N 2 1 259.397 2.149 20 0 CEADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000622651358 349872606 /nfs/dbraw/zinc/87/26/06/349872606.db2.gz CIAVVNXHZFPOPL-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000622651358 349872607 /nfs/dbraw/zinc/87/26/07/349872607.db2.gz CIAVVNXHZFPOPL-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@](C)(c2ccccc2)C1)C1CC1 ZINC000351531463 219117991 /nfs/dbraw/zinc/11/79/91/219117991.db2.gz DDYGFBSXLBLLTB-QZTJIDSGSA-N 2 1 288.435 2.105 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@](C)(c2ccccc2)C1)C1CC1 ZINC000351531463 219117993 /nfs/dbraw/zinc/11/79/93/219117993.db2.gz DDYGFBSXLBLLTB-QZTJIDSGSA-N 2 1 288.435 2.105 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@](C)(c2ccccc2)C1)C1CC1 ZINC000351531463 219117995 /nfs/dbraw/zinc/11/79/95/219117995.db2.gz DDYGFBSXLBLLTB-QZTJIDSGSA-N 2 1 288.435 2.105 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@](C)(c2ccccc2)C1)C1CC1 ZINC000351531463 219117997 /nfs/dbraw/zinc/11/79/97/219117997.db2.gz DDYGFBSXLBLLTB-QZTJIDSGSA-N 2 1 288.435 2.105 20 0 CEADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000075800912 343867490 /nfs/dbraw/zinc/86/74/90/343867490.db2.gz JSNASKDDPARHPT-UHFFFAOYSA-N 2 1 299.846 2.440 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)[C@H](C)C1 ZINC000449685234 282331016 /nfs/dbraw/zinc/33/10/16/282331016.db2.gz ROALHOXQUCUFMA-KFWWJZLASA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC(=O)NC1CCCCC1 ZINC000128693684 365800955 /nfs/dbraw/zinc/80/09/55/365800955.db2.gz FTLUPTGNBUSJBG-IJEWVQPXSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccnn1C ZINC000192873709 344517644 /nfs/dbraw/zinc/51/76/44/344517644.db2.gz SKWQPMUZHGNFGT-GXTWGEPZSA-N 2 1 266.433 2.437 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1F ZINC000226280842 344549012 /nfs/dbraw/zinc/54/90/12/344549012.db2.gz CTKFOVANOKQKOT-UHFFFAOYSA-N 2 1 296.386 2.432 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1F ZINC000226280842 344549013 /nfs/dbraw/zinc/54/90/13/344549013.db2.gz CTKFOVANOKQKOT-UHFFFAOYSA-N 2 1 296.386 2.432 20 0 CEADMP C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000247079760 344619357 /nfs/dbraw/zinc/61/93/57/344619357.db2.gz OTBXWDFVBVCWRM-ZHCJQAHYSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H](CN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000247079760 344619359 /nfs/dbraw/zinc/61/93/59/344619359.db2.gz OTBXWDFVBVCWRM-ZHCJQAHYSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H](CN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000247079760 344619361 /nfs/dbraw/zinc/61/93/61/344619361.db2.gz OTBXWDFVBVCWRM-ZHCJQAHYSA-N 2 1 281.488 2.425 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC000248976841 344626793 /nfs/dbraw/zinc/62/67/93/344626793.db2.gz DXYFGLMEKJQPME-HOCLYGCPSA-N 2 1 288.435 2.484 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000252219799 344639032 /nfs/dbraw/zinc/63/90/32/344639032.db2.gz YSHKJDCNOYEAJD-ILXRZTDVSA-N 3 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000252219799 344639036 /nfs/dbraw/zinc/63/90/36/344639036.db2.gz YSHKJDCNOYEAJD-ILXRZTDVSA-N 3 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000252219799 344639039 /nfs/dbraw/zinc/63/90/39/344639039.db2.gz YSHKJDCNOYEAJD-ILXRZTDVSA-N 3 1 253.434 2.110 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000319964225 344751492 /nfs/dbraw/zinc/75/14/92/344751492.db2.gz HQWOTRXEKLZWOE-HZSPNIEDSA-N 2 1 282.428 2.181 20 0 CEADMP CC[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)CC(F)(F)F ZINC000402637128 344873255 /nfs/dbraw/zinc/87/32/55/344873255.db2.gz OGHQZBMDTVGMQS-CMPLNLGQSA-N 2 1 282.350 2.010 20 0 CEADMP CC[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)CC(F)(F)F ZINC000402637128 344873256 /nfs/dbraw/zinc/87/32/56/344873256.db2.gz OGHQZBMDTVGMQS-CMPLNLGQSA-N 2 1 282.350 2.010 20 0 CEADMP CC[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)CC(F)(F)F ZINC000402637137 344873261 /nfs/dbraw/zinc/87/32/61/344873261.db2.gz OGHQZBMDTVGMQS-PWSUYJOCSA-N 2 1 282.350 2.010 20 0 CEADMP CC[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)CC(F)(F)F ZINC000402637137 344873264 /nfs/dbraw/zinc/87/32/64/344873264.db2.gz OGHQZBMDTVGMQS-PWSUYJOCSA-N 2 1 282.350 2.010 20 0 CEADMP Cc1[nH+]ccn1CCCN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000580295363 344952746 /nfs/dbraw/zinc/95/27/46/344952746.db2.gz QTLMGXXNIDOKSI-CVEARBPZSA-N 2 1 276.428 2.188 20 0 CEADMP CC[N@H+](Cc1cccc(Cl)c1)C[C@@](C)(O)C[NH2+]C ZINC000584842802 344992653 /nfs/dbraw/zinc/99/26/53/344992653.db2.gz AOUZAVZCTQZKBT-AWEZNQCLSA-N 2 1 270.804 2.132 20 0 CEADMP CC[N@@H+](Cc1cccc(Cl)c1)C[C@@](C)(O)C[NH2+]C ZINC000584842802 344992656 /nfs/dbraw/zinc/99/26/56/344992656.db2.gz AOUZAVZCTQZKBT-AWEZNQCLSA-N 2 1 270.804 2.132 20 0 CEADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000351621628 219150534 /nfs/dbraw/zinc/15/05/34/219150534.db2.gz QMIOAZSQPYUYTR-NWDGAFQWSA-N 2 1 282.350 2.008 20 0 CEADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351621628 219150535 /nfs/dbraw/zinc/15/05/35/219150535.db2.gz QMIOAZSQPYUYTR-NWDGAFQWSA-N 2 1 282.350 2.008 20 0 CEADMP CC[N@@H+](CCC(=O)N(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999663 345109267 /nfs/dbraw/zinc/10/92/67/345109267.db2.gz QUNNPGRIGSTYRU-UHFFFAOYSA-N 2 1 291.439 2.048 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ncccc2C)[C@H](C)C1 ZINC000295110848 199350349 /nfs/dbraw/zinc/35/03/49/199350349.db2.gz WBRMJGPENQDYEL-ZBFHGGJFSA-N 2 1 261.413 2.252 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CSCCF ZINC000595003393 345724659 /nfs/dbraw/zinc/72/46/59/345724659.db2.gz FJAVVNLMPYWPIM-LBPRGKRZSA-N 2 1 250.427 2.398 20 0 CEADMP C[C@H](CSCCF)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000595011306 345726953 /nfs/dbraw/zinc/72/69/53/345726953.db2.gz LYLKDGOEKNSLSH-FRRDWIJNSA-N 2 1 260.422 2.294 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)[C@@H]2CCC[C@@H]21 ZINC000595061972 345737125 /nfs/dbraw/zinc/73/71/25/345737125.db2.gz PXDLBNJOYQNWFW-LZXVZSHTSA-N 2 1 298.496 2.139 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)[C@@H]2CCC[C@@H]21 ZINC000595061972 345737130 /nfs/dbraw/zinc/73/71/30/345737130.db2.gz PXDLBNJOYQNWFW-LZXVZSHTSA-N 2 1 298.496 2.139 20 0 CEADMP Clc1c[nH+]ccc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334996347 539500382 /nfs/dbraw/zinc/50/03/82/539500382.db2.gz RTIREAVVPDFUQS-CYBMUJFWSA-N 2 1 251.761 2.315 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309742909 201861202 /nfs/dbraw/zinc/86/12/02/201861202.db2.gz WPNBFEVLQJCULN-ZBFHGGJFSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(F)cn1 ZINC000336787290 365807895 /nfs/dbraw/zinc/80/78/95/365807895.db2.gz DVCVRJBMTQISMZ-WCQYABFASA-N 2 1 253.365 2.459 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@]1(C)CCC[NH2+]C1)C1CCCCC1 ZINC000062857873 362726612 /nfs/dbraw/zinc/72/66/12/362726612.db2.gz OQPGIADFJXPNHZ-QGZVFWFLSA-N 2 1 295.471 2.147 20 0 CEADMP COC(=O)CC1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000599022968 346447550 /nfs/dbraw/zinc/44/75/50/346447550.db2.gz WCCWTHQHVZAMTP-UHFFFAOYSA-N 2 1 294.439 2.325 20 0 CEADMP Cc1ncc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1C ZINC000568269228 299131753 /nfs/dbraw/zinc/13/17/53/299131753.db2.gz CPYJATVUOYEWLW-HIFRSBDPSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1ncc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1C ZINC000568269228 299131756 /nfs/dbraw/zinc/13/17/56/299131756.db2.gz CPYJATVUOYEWLW-HIFRSBDPSA-N 2 1 290.455 2.471 20 0 CEADMP COC(=O)C1CCC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000599068625 346455208 /nfs/dbraw/zinc/45/52/08/346455208.db2.gz ASBOIMYARIIHAQ-NFOMZHRRSA-N 2 1 282.428 2.040 20 0 CEADMP COCCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000336793958 365816664 /nfs/dbraw/zinc/81/66/64/365816664.db2.gz ZDBLUKIESLZMJB-UHFFFAOYSA-N 2 1 252.402 2.020 20 0 CEADMP CCOC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000336796584 365819772 /nfs/dbraw/zinc/81/97/72/365819772.db2.gz UIAIUJDAIPVRAC-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP C[NH+](C)C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCCCC1 ZINC000599300746 346494214 /nfs/dbraw/zinc/49/42/14/346494214.db2.gz GFEJPQCCECYVDK-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000063195138 362758524 /nfs/dbraw/zinc/75/85/24/362758524.db2.gz VPTPXVOZGADLOL-IUODEOHRSA-N 2 1 293.386 2.356 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000063195138 362758530 /nfs/dbraw/zinc/75/85/30/362758530.db2.gz VPTPXVOZGADLOL-IUODEOHRSA-N 2 1 293.386 2.356 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](Cc1cccnc1)C(C)C ZINC000336798792 365823573 /nfs/dbraw/zinc/82/35/73/365823573.db2.gz GIVSKHAYENCYGT-UHFFFAOYSA-N 2 1 258.369 2.497 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccnc1)C(C)C ZINC000336798792 365823582 /nfs/dbraw/zinc/82/35/82/365823582.db2.gz GIVSKHAYENCYGT-UHFFFAOYSA-N 2 1 258.369 2.497 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@](C)(O)c3ccccc3)CC[C@H]21 ZINC000129158824 365831881 /nfs/dbraw/zinc/83/18/81/365831881.db2.gz ORUKBSRMDUBWCA-KBAYOESNSA-N 2 1 288.435 2.310 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@](C)(O)c3ccccc3)CC[C@H]21 ZINC000129158824 365831889 /nfs/dbraw/zinc/83/18/89/365831889.db2.gz ORUKBSRMDUBWCA-KBAYOESNSA-N 2 1 288.435 2.310 20 0 CEADMP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000600949033 346714448 /nfs/dbraw/zinc/71/44/48/346714448.db2.gz JFYSXFHAGAAXLC-OAHLLOKOSA-N 2 1 275.396 2.171 20 0 CEADMP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000600949033 346714450 /nfs/dbraw/zinc/71/44/50/346714450.db2.gz JFYSXFHAGAAXLC-OAHLLOKOSA-N 2 1 275.396 2.171 20 0 CEADMP C[C@H](C[NH2+]Cc1cn(C)nc1C(C)(C)C)C[NH+](C)C ZINC000336816326 365859846 /nfs/dbraw/zinc/85/98/46/365859846.db2.gz LOXUHWDNPJETPJ-GFCCVEGCSA-N 2 1 266.433 2.005 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC([NH+]2CCCCC2)CC1 ZINC000336821219 365869634 /nfs/dbraw/zinc/86/96/34/365869634.db2.gz GZYUHTAQRDQDKO-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP C[N@@H+](CCNC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000336816895 365861624 /nfs/dbraw/zinc/86/16/24/365861624.db2.gz NUDGZUPYRONGGC-UHFFFAOYSA-N 2 1 265.445 2.077 20 0 CEADMP COC(=O)c1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)[nH]c1C ZINC000602687666 347146974 /nfs/dbraw/zinc/14/69/74/347146974.db2.gz KYOIOLRILDGUJQ-UHFFFAOYSA-N 2 1 293.411 2.074 20 0 CEADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000602711832 347165009 /nfs/dbraw/zinc/16/50/09/347165009.db2.gz RKMTXXBLCOOWII-KFWWJZLASA-N 2 1 284.444 2.425 20 0 CEADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000602711832 347165012 /nfs/dbraw/zinc/16/50/12/347165012.db2.gz RKMTXXBLCOOWII-KFWWJZLASA-N 2 1 284.444 2.425 20 0 CEADMP Cc1oncc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000128547041 187376741 /nfs/dbraw/zinc/37/67/41/187376741.db2.gz PJDBSZJDEVSDSB-UHFFFAOYSA-N 2 1 274.368 2.171 20 0 CEADMP O=C(Nc1ccc2nccn2c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000606583370 347482291 /nfs/dbraw/zinc/48/22/91/347482291.db2.gz YQFBNAVYGSHJIU-KBPBESRZSA-N 2 1 299.378 2.083 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000351847565 219224211 /nfs/dbraw/zinc/22/42/11/219224211.db2.gz AMBAFARULLONBL-STQMWFEESA-N 2 1 280.437 2.456 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(F)c2)CC[N@H+]1C ZINC000129824940 365898556 /nfs/dbraw/zinc/89/85/56/365898556.db2.gz WFYZTDXIEZGIQJ-DOMZBBRYSA-N 2 1 250.361 2.441 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)o1 ZINC000128640470 187381593 /nfs/dbraw/zinc/38/15/93/187381593.db2.gz OVRLPQZCSHNPDR-OAHLLOKOSA-N 2 1 279.428 2.266 20 0 CEADMP COc1c(C)c[nH+]c(CN2C[C@H](C)[NH+](C)[C@@H](C)C2)c1C ZINC000336884509 365932013 /nfs/dbraw/zinc/93/20/13/365932013.db2.gz BOAXDKNEWOQXRI-STQMWFEESA-N 2 1 277.412 2.231 20 0 CEADMP C[N@H+](Cc1ccc(Br)o1)CC1CC[NH2+]CC1 ZINC000086701647 179321758 /nfs/dbraw/zinc/32/17/58/179321758.db2.gz ZWMJNMQTXXAPQV-UHFFFAOYSA-N 2 1 287.201 2.474 20 0 CEADMP CCn1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC000334415790 539592022 /nfs/dbraw/zinc/59/20/22/539592022.db2.gz NKDCMWOMDDQLGL-INIZCTEOSA-N 2 1 276.428 2.095 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC000334415790 539592026 /nfs/dbraw/zinc/59/20/26/539592026.db2.gz NKDCMWOMDDQLGL-INIZCTEOSA-N 2 1 276.428 2.095 20 0 CEADMP CCn1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000334415795 539592089 /nfs/dbraw/zinc/59/20/89/539592089.db2.gz NKDCMWOMDDQLGL-MRXNPFEDSA-N 2 1 276.428 2.095 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000334415795 539592093 /nfs/dbraw/zinc/59/20/93/539592093.db2.gz NKDCMWOMDDQLGL-MRXNPFEDSA-N 2 1 276.428 2.095 20 0 CEADMP CC(C)[NH+](CCC[NH2+]C[C@@](C)(O)C(F)(F)F)C(C)C ZINC000568620026 299150013 /nfs/dbraw/zinc/15/00/13/299150013.db2.gz APKADDRPDRGSQB-GFCCVEGCSA-N 2 1 284.366 2.398 20 0 CEADMP CO[C@@H]1CC[N@H+](CCCCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000339415025 215157503 /nfs/dbraw/zinc/15/75/03/215157503.db2.gz NQVKYGLGBSUIMN-DOTOQJQBSA-N 2 1 292.423 2.284 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000339415025 215157506 /nfs/dbraw/zinc/15/75/06/215157506.db2.gz NQVKYGLGBSUIMN-DOTOQJQBSA-N 2 1 292.423 2.284 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCc1ccc2c(c1)CCO2 ZINC000339411199 215155302 /nfs/dbraw/zinc/15/53/02/215155302.db2.gz VEQAGTQXLBGCAF-DZGCQCFKSA-N 2 1 274.408 2.223 20 0 CEADMP CC[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000087011280 179379503 /nfs/dbraw/zinc/37/95/03/179379503.db2.gz WLQGALINWZIVHM-KRWDZBQOSA-N 2 1 276.424 2.402 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2ncc(CC)o2)CC1 ZINC000568766979 299151986 /nfs/dbraw/zinc/15/19/86/299151986.db2.gz JIWZOOVRYBNRBO-UHFFFAOYSA-N 2 1 251.374 2.059 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615605780 348359943 /nfs/dbraw/zinc/35/99/43/348359943.db2.gz JAWZXLIGZLHMPM-PBHICJAKSA-N 2 1 295.471 2.097 20 0 CEADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccco1 ZINC000623337478 349991775 /nfs/dbraw/zinc/99/17/75/349991775.db2.gz MGQJOQLNMKEUDA-UONOGXRCSA-N 2 1 279.428 2.345 20 0 CEADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccco1 ZINC000623337478 349991778 /nfs/dbraw/zinc/99/17/78/349991778.db2.gz MGQJOQLNMKEUDA-UONOGXRCSA-N 2 1 279.428 2.345 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCN2CCCCCC2=O)CC1(C)C ZINC000623338517 349991905 /nfs/dbraw/zinc/99/19/05/349991905.db2.gz DAGMXKASIUKVMJ-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623354311 349997031 /nfs/dbraw/zinc/99/70/31/349997031.db2.gz NQCXPGWKDHWYCX-HNNXBMFYSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000617009753 348611020 /nfs/dbraw/zinc/61/10/20/348611020.db2.gz FHAHZRTXCLBZNJ-STQMWFEESA-N 2 1 283.460 2.142 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000617004159 348607145 /nfs/dbraw/zinc/60/71/45/348607145.db2.gz LXBFXILFLYKVNO-HNNXBMFYSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H](C)[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506129 348718708 /nfs/dbraw/zinc/71/87/08/348718708.db2.gz AKYLLDKGZBAPBH-QLFBSQMISA-N 2 1 285.476 2.057 20 0 CEADMP CC[C@@H](C)[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506129 348718711 /nfs/dbraw/zinc/71/87/11/348718711.db2.gz AKYLLDKGZBAPBH-QLFBSQMISA-N 2 1 285.476 2.057 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CCC[C@@H]1C ZINC000617507267 348718947 /nfs/dbraw/zinc/71/89/47/348718947.db2.gz OUPCWWGQCSORPM-JYJNAYRXSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CCC[C@@H]1C ZINC000617507267 348718948 /nfs/dbraw/zinc/71/89/48/348718948.db2.gz OUPCWWGQCSORPM-JYJNAYRXSA-N 2 1 297.487 2.201 20 0 CEADMP NC(=O)c1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000336117284 539663702 /nfs/dbraw/zinc/66/37/02/539663702.db2.gz NCTDZIDGSGXBSA-MRXNPFEDSA-N 2 1 273.380 2.145 20 0 CEADMP NC(=O)c1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000336117284 539663705 /nfs/dbraw/zinc/66/37/05/539663705.db2.gz NCTDZIDGSGXBSA-MRXNPFEDSA-N 2 1 273.380 2.145 20 0 CEADMP COc1ccccc1C[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000088194956 539668522 /nfs/dbraw/zinc/66/85/22/539668522.db2.gz KJIXZPGROWGYJJ-ZIAGYGMSSA-N 2 1 262.397 2.168 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000340517254 539728426 /nfs/dbraw/zinc/72/84/26/539728426.db2.gz DUVVHLBUAHPEFT-GBJTYRQASA-N 2 1 266.429 2.264 20 0 CEADMP CN(C)c1c(CNC[C@H]2CCC[N@@H+]2C)ccc(F)c1F ZINC000623377377 350003734 /nfs/dbraw/zinc/00/37/34/350003734.db2.gz XHXMWLYSIVRGNS-GFCCVEGCSA-N 2 1 283.366 2.215 20 0 CEADMP CN(C)c1c(CNC[C@H]2CCC[N@H+]2C)ccc(F)c1F ZINC000623377377 350003737 /nfs/dbraw/zinc/00/37/37/350003737.db2.gz XHXMWLYSIVRGNS-GFCCVEGCSA-N 2 1 283.366 2.215 20 0 CEADMP C[N@H+]1CC[C@@H](N[C@H]2c3ccccc3C[C@H]2O)CC1(C)C ZINC000623395821 350008753 /nfs/dbraw/zinc/00/87/53/350008753.db2.gz BGMRJYXPVIYTMT-BMFZPTHFSA-N 2 1 274.408 2.107 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2c3ccccc3C[C@H]2O)CC1(C)C ZINC000623395821 350008756 /nfs/dbraw/zinc/00/87/56/350008756.db2.gz BGMRJYXPVIYTMT-BMFZPTHFSA-N 2 1 274.408 2.107 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623481247 350030920 /nfs/dbraw/zinc/03/09/20/350030920.db2.gz VXLOYYLXDSOPBM-HZSPNIEDSA-N 2 1 254.418 2.264 20 0 CEADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC000620645848 349412976 /nfs/dbraw/zinc/41/29/76/349412976.db2.gz QSLUIJNJJXBWID-LBPRGKRZSA-N 2 1 280.416 2.493 20 0 CEADMP Cc1cccn2c(CNC[C@@H]3CCCC[N@H+](C)C3)cnc12 ZINC000623655779 350075151 /nfs/dbraw/zinc/07/51/51/350075151.db2.gz FDZDUKKBAYLJON-HNNXBMFYSA-N 2 1 286.423 2.464 20 0 CEADMP Cc1cccn2c(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)cnc12 ZINC000623655779 350075152 /nfs/dbraw/zinc/07/51/52/350075152.db2.gz FDZDUKKBAYLJON-HNNXBMFYSA-N 2 1 286.423 2.464 20 0 CEADMP Cc1cccn2c(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)cnc12 ZINC000623655779 350075155 /nfs/dbraw/zinc/07/51/55/350075155.db2.gz FDZDUKKBAYLJON-HNNXBMFYSA-N 2 1 286.423 2.464 20 0 CEADMP COC1(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)CCCC1 ZINC000623657508 350076977 /nfs/dbraw/zinc/07/69/77/350076977.db2.gz SBDLCSINXOHQFZ-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@H]2CCCC[NH+]2C2CC2)CC1(C)C ZINC000623508135 350037743 /nfs/dbraw/zinc/03/77/43/350037743.db2.gz KPZIWRBFTQQTOK-GOEBONIOSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@H]2CCCC[N@@H+]2C2CC2)CC1(C)C ZINC000623508135 350037746 /nfs/dbraw/zinc/03/77/46/350037746.db2.gz KPZIWRBFTQQTOK-GOEBONIOSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@H](NC[C@H]2CCCC[N@H+]2C2CC2)CC1(C)C ZINC000623508135 350037750 /nfs/dbraw/zinc/03/77/50/350037750.db2.gz KPZIWRBFTQQTOK-GOEBONIOSA-N 2 1 279.472 2.466 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2C2CC2)CC1(C)C ZINC000623508135 350037752 /nfs/dbraw/zinc/03/77/52/350037752.db2.gz KPZIWRBFTQQTOK-GOEBONIOSA-N 2 1 279.472 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2C2CC2)CC1(C)C ZINC000623508135 350037756 /nfs/dbraw/zinc/03/77/56/350037756.db2.gz KPZIWRBFTQQTOK-GOEBONIOSA-N 2 1 279.472 2.466 20 0 CEADMP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623510873 350038159 /nfs/dbraw/zinc/03/81/59/350038159.db2.gz OTOKEEQTZBKCNG-HNNXBMFYSA-N 2 1 261.413 2.395 20 0 CEADMP Cc1ncsc1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623538804 350044520 /nfs/dbraw/zinc/04/45/20/350044520.db2.gz VPVIVTFSIONMGE-LBPRGKRZSA-N 2 1 267.442 2.456 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCCOC2)CC1(C)C ZINC000623591002 350060079 /nfs/dbraw/zinc/06/00/79/350060079.db2.gz SEZFKSUDXHEKOK-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc(OC)c1 ZINC000090720858 180031613 /nfs/dbraw/zinc/03/16/13/180031613.db2.gz CQLWSVPPHMESMC-OCCSQVGLSA-N 2 1 278.396 2.276 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc(OC)c1 ZINC000090720858 180031614 /nfs/dbraw/zinc/03/16/14/180031614.db2.gz CQLWSVPPHMESMC-OCCSQVGLSA-N 2 1 278.396 2.276 20 0 CEADMP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000623807308 350114258 /nfs/dbraw/zinc/11/42/58/350114258.db2.gz ZJDIGLQLKYECNS-QAQDUYKDSA-N 2 1 274.408 2.418 20 0 CEADMP CC(C)c1cccc([C@H](C)[NH2+]C[C@H](O)CN(C)C)c1 ZINC000623889079 350135722 /nfs/dbraw/zinc/13/57/22/350135722.db2.gz CFSGWRMYIUEXPI-BBRMVZONSA-N 2 1 264.413 2.383 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccccn2)C1 ZINC000271310232 191066115 /nfs/dbraw/zinc/06/61/15/191066115.db2.gz QXGUWAXIXQFQGW-HUUCEWRRSA-N 2 1 275.396 2.019 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccccn2)C1 ZINC000271310232 191066116 /nfs/dbraw/zinc/06/61/16/191066116.db2.gz QXGUWAXIXQFQGW-HUUCEWRRSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000271310232 191066119 /nfs/dbraw/zinc/06/61/19/191066119.db2.gz QXGUWAXIXQFQGW-HUUCEWRRSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000271310232 191066121 /nfs/dbraw/zinc/06/61/21/191066121.db2.gz QXGUWAXIXQFQGW-HUUCEWRRSA-N 2 1 275.396 2.019 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cnn(C)c1 ZINC000624121286 350198535 /nfs/dbraw/zinc/19/85/35/350198535.db2.gz SHFKLSCVULQMMK-HIFRSBDPSA-N 2 1 264.417 2.193 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000624121578 350199633 /nfs/dbraw/zinc/19/96/33/350199633.db2.gz YGYZFTSCHYSPML-ZIAGYGMSSA-N 2 1 264.417 2.286 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000624121578 350199636 /nfs/dbraw/zinc/19/96/36/350199636.db2.gz YGYZFTSCHYSPML-ZIAGYGMSSA-N 2 1 264.417 2.286 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN2CC(F)F)[C@H](C)C1 ZINC000624094420 350191993 /nfs/dbraw/zinc/19/19/93/350191993.db2.gz DRCFWWNCZDCGOS-RDBSUJKOSA-N 2 1 289.414 2.036 20 0 CEADMP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123380 350201559 /nfs/dbraw/zinc/20/15/59/350201559.db2.gz KYZPGFYAZGSEDI-IAGOWNOFSA-N 2 1 298.471 2.140 20 0 CEADMP c1n[nH]cc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000624218363 350232634 /nfs/dbraw/zinc/23/26/34/350232634.db2.gz BYYFFNUKEYKPIV-INIZCTEOSA-N 2 1 284.407 2.412 20 0 CEADMP c1n[nH]cc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000624218363 350232637 /nfs/dbraw/zinc/23/26/37/350232637.db2.gz BYYFFNUKEYKPIV-INIZCTEOSA-N 2 1 284.407 2.412 20 0 CEADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3cn[nH]c3)C2)c1 ZINC000624218634 350232872 /nfs/dbraw/zinc/23/28/72/350232872.db2.gz UBSXMPBWQWKQPP-CYBMUJFWSA-N 2 1 290.436 2.473 20 0 CEADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3cn[nH]c3)C2)c1 ZINC000624218634 350232873 /nfs/dbraw/zinc/23/28/73/350232873.db2.gz UBSXMPBWQWKQPP-CYBMUJFWSA-N 2 1 290.436 2.473 20 0 CEADMP C[N@@H+](Cc1cccnc1Cl)C1CCC([NH3+])CC1 ZINC000091848015 180271194 /nfs/dbraw/zinc/27/11/94/180271194.db2.gz HPBOMPVPOWDCEL-UHFFFAOYSA-N 2 1 253.777 2.437 20 0 CEADMP Cc1cccc(C)c1NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091847655 180271486 /nfs/dbraw/zinc/27/14/86/180271486.db2.gz UVQOTONENQAZEW-UHFFFAOYSA-N 2 1 289.423 2.444 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105876093 186081704 /nfs/dbraw/zinc/08/17/04/186081704.db2.gz KMFWBKCNOBAFCK-QGZVFWFLSA-N 2 1 299.418 2.408 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](OCC)C2CC2)C1 ZINC000625212871 350430923 /nfs/dbraw/zinc/43/09/23/350430923.db2.gz ZTAVDNCWQSDWSY-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@H]1C[N@@H+](CCCOCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000147462273 539797823 /nfs/dbraw/zinc/79/78/23/539797823.db2.gz BUWYXOQBGWEDQP-QWRGUYRKSA-N 2 1 268.323 2.015 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000335636638 212351354 /nfs/dbraw/zinc/35/13/54/212351354.db2.gz NKUXPRBPYVWHGU-PBHICJAKSA-N 2 1 273.424 2.243 20 0 CEADMP Cc1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000106868484 186144841 /nfs/dbraw/zinc/14/48/41/186144841.db2.gz CCRBKEXTTUJEOJ-NWDGAFQWSA-N 2 1 251.399 2.168 20 0 CEADMP Cc1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000106868484 186144842 /nfs/dbraw/zinc/14/48/42/186144842.db2.gz CCRBKEXTTUJEOJ-NWDGAFQWSA-N 2 1 251.399 2.168 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000107368393 186171553 /nfs/dbraw/zinc/17/15/53/186171553.db2.gz WANKXGHTGYTUDK-WMZOPIPTSA-N 2 1 287.451 2.459 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000107368948 186172129 /nfs/dbraw/zinc/17/21/29/186172129.db2.gz ANKFWKPGSHAZAF-QGZVFWFLSA-N 2 1 291.414 2.038 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C1CC1 ZINC000625448614 350501231 /nfs/dbraw/zinc/50/12/31/350501231.db2.gz PAEBXLOHTABHNK-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CCO[C@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)C1CC1 ZINC000625448614 350501234 /nfs/dbraw/zinc/50/12/34/350501234.db2.gz PAEBXLOHTABHNK-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CCO[C@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)C1CC1 ZINC000625448614 350501236 /nfs/dbraw/zinc/50/12/36/350501236.db2.gz PAEBXLOHTABHNK-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000625832588 350581487 /nfs/dbraw/zinc/58/14/87/350581487.db2.gz VQYXJKQXXUHFBY-ZBFHGGJFSA-N 2 1 268.445 2.392 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)N2CCCCC2)CC1 ZINC000111240534 186374702 /nfs/dbraw/zinc/37/47/02/186374702.db2.gz FJTWRCMPJRXQGJ-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000628309066 351055147 /nfs/dbraw/zinc/05/51/47/351055147.db2.gz ZAKMDFCQUZPBLN-LBPRGKRZSA-N 2 1 263.385 2.374 20 0 CEADMP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000628546050 351136091 /nfs/dbraw/zinc/13/60/91/351136091.db2.gz LHYQMTQHKIZPRC-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[NH+](CC)CC ZINC000628966133 351228809 /nfs/dbraw/zinc/22/88/09/351228809.db2.gz ULOJEAKFKGHKAE-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)C[NH2+]1 ZINC000629543332 351404942 /nfs/dbraw/zinc/40/49/42/351404942.db2.gz YRPQFUHSQUMEBU-QPSCCSFWSA-N 2 1 276.428 2.176 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CC[C@H](C[NH3+])C3)cc2c1 ZINC000629511947 351381875 /nfs/dbraw/zinc/38/18/75/351381875.db2.gz NWPNVOBRPANWAM-CYBMUJFWSA-N 2 1 255.365 2.324 20 0 CEADMP Cc1cccc2c1C[C@@H]([NH2+][C@H](C)c1c[nH+]ccc1N)CO2 ZINC000629512675 351382883 /nfs/dbraw/zinc/38/28/83/351382883.db2.gz BQSMCUKDXKGFSB-CHWSQXEVSA-N 2 1 283.375 2.457 20 0 CEADMP [NH3+]C1(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CCOCC1 ZINC000629525593 351390520 /nfs/dbraw/zinc/39/05/20/351390520.db2.gz XHNPTLSVXKQXRR-AWEZNQCLSA-N 2 1 294.370 2.137 20 0 CEADMP Cc1cncc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000629537769 351400569 /nfs/dbraw/zinc/40/05/69/351400569.db2.gz LRCCIUDKODNHAV-BBWFWOEESA-N 2 1 289.423 2.108 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)C[NH2+]1 ZINC000629397111 351350947 /nfs/dbraw/zinc/35/09/47/351350947.db2.gz SRIVWRUCVIYUMT-GDBMZVCRSA-N 2 1 273.424 2.386 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCOc3ccccc32)C[NH2+]1 ZINC000629419347 351357382 /nfs/dbraw/zinc/35/73/82/351357382.db2.gz XYNGWUZAVWZDCO-MGPQQGTHSA-N 2 1 260.381 2.283 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC1=Cc2ccccc2OC1 ZINC000629647442 351446281 /nfs/dbraw/zinc/44/62/81/351446281.db2.gz VDEJVULVLMDNNA-OLZOCXBDSA-N 2 1 258.365 2.132 20 0 CEADMP COC1(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CCCC1 ZINC000629650711 351448381 /nfs/dbraw/zinc/44/83/81/351448381.db2.gz ZZAURAOTWPANCO-HRCADAONSA-N 2 1 296.455 2.164 20 0 CEADMP CC1(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629652918 351451346 /nfs/dbraw/zinc/45/13/46/351451346.db2.gz CKMKMILAJIWVKH-UWVGGRQHSA-N 2 1 250.308 2.246 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCc3c(O)cccc3C2)CC[NH2+]1 ZINC000629663634 351456348 /nfs/dbraw/zinc/45/63/48/351456348.db2.gz IOVQAHWKTGAZNM-QWHCGFSZSA-N 2 1 260.381 2.138 20 0 CEADMP Cc1cc(C)c(C[N@@H+](C)CCOCC[NH3+])cc1C ZINC000629664853 351456793 /nfs/dbraw/zinc/45/67/93/351456793.db2.gz TZGZDKHVFJZGSZ-UHFFFAOYSA-N 2 1 250.386 2.019 20 0 CEADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000629547967 351407602 /nfs/dbraw/zinc/40/76/02/351407602.db2.gz MOKPZZNJMBRXCQ-PXLMOHRFSA-N 2 1 299.418 2.159 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c(C)c1OC ZINC000629547071 351407778 /nfs/dbraw/zinc/40/77/78/351407778.db2.gz RFLBCKDAKPWJOU-OSAQELSMSA-N 2 1 292.423 2.283 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)c2ccccc21 ZINC000629550373 351409713 /nfs/dbraw/zinc/40/97/13/351409713.db2.gz XZNMSMKSQVJVGT-BQDHKBFISA-N 2 1 258.365 2.288 20 0 CEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629566010 351417407 /nfs/dbraw/zinc/41/74/07/351417407.db2.gz XMYFBUMPCPNPRF-GWOFURMSSA-N 2 1 250.308 2.102 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000629571788 351419266 /nfs/dbraw/zinc/41/92/66/351419266.db2.gz JCWCYNBUSWAPDX-UHFFFAOYSA-N 2 1 262.397 2.232 20 0 CEADMP Oc1cccc2c1CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000629581664 351422411 /nfs/dbraw/zinc/42/24/11/351422411.db2.gz FLZKLYCEACEXNX-ZDUSSCGKSA-N 2 1 260.381 2.140 20 0 CEADMP COc1ccc(CC[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000070149787 363038703 /nfs/dbraw/zinc/03/87/03/363038703.db2.gz WRXMXRCSLRUJJD-OAHLLOKOSA-N 2 1 262.397 2.441 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(OC)c1 ZINC000070169696 363042674 /nfs/dbraw/zinc/04/26/74/363042674.db2.gz APAWDIATQDXSAB-CYBMUJFWSA-N 2 1 278.396 2.265 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000070170514 363043990 /nfs/dbraw/zinc/04/39/90/363043990.db2.gz NGSZINZMOWVCMS-LBPRGKRZSA-N 2 1 295.814 2.339 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000070171106 363044865 /nfs/dbraw/zinc/04/48/65/363044865.db2.gz CIZIMMIIRMCSRJ-LLVKDONJSA-N 2 1 292.408 2.359 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000070171106 363044872 /nfs/dbraw/zinc/04/48/72/363044872.db2.gz CIZIMMIIRMCSRJ-LLVKDONJSA-N 2 1 292.408 2.359 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOc2ccccc2F)C1 ZINC000070174683 363048958 /nfs/dbraw/zinc/04/89/58/363048958.db2.gz QDTXCZISHNOYDK-STQMWFEESA-N 2 1 266.360 2.264 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccccc2F)C1 ZINC000070174683 363048961 /nfs/dbraw/zinc/04/89/61/363048961.db2.gz QDTXCZISHNOYDK-STQMWFEESA-N 2 1 266.360 2.264 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000122032430 187011340 /nfs/dbraw/zinc/01/13/40/187011340.db2.gz VSPODWAWDYZXHN-MRXNPFEDSA-N 2 1 279.472 2.206 20 0 CEADMP CCCN(CCn1cc[nH+]c1C)CC[NH+](CC)CC ZINC000122542501 187037280 /nfs/dbraw/zinc/03/72/80/187037280.db2.gz RRPHBVNYKPCWLG-UHFFFAOYSA-N 2 1 266.433 2.245 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCn2cccn2)CC[N@@H+]1C ZINC000123403474 187090322 /nfs/dbraw/zinc/09/03/22/187090322.db2.gz GLYQIVRVECUMKD-CVEARBPZSA-N 2 1 278.444 2.468 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCCCn2cccn2)CC[N@H+]1C ZINC000123403474 187090323 /nfs/dbraw/zinc/09/03/23/187090323.db2.gz GLYQIVRVECUMKD-CVEARBPZSA-N 2 1 278.444 2.468 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCCCCn2cccn2)CC[NH+]1C ZINC000123403474 187090324 /nfs/dbraw/zinc/09/03/24/187090324.db2.gz GLYQIVRVECUMKD-CVEARBPZSA-N 2 1 278.444 2.468 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCCn2cccn2)CC[NH+]1C ZINC000123403474 187090325 /nfs/dbraw/zinc/09/03/25/187090325.db2.gz GLYQIVRVECUMKD-CVEARBPZSA-N 2 1 278.444 2.468 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631042667 351935104 /nfs/dbraw/zinc/93/51/04/351935104.db2.gz KYRMCARAYJKBNB-AWEZNQCLSA-N 2 1 277.412 2.389 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000631044177 351935786 /nfs/dbraw/zinc/93/57/86/351935786.db2.gz LXBKOZUZKODVKU-AWEZNQCLSA-N 2 1 289.423 2.467 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631056782 351941180 /nfs/dbraw/zinc/94/11/80/351941180.db2.gz SFJJRZMFXNXVDV-JTQLQIEISA-N 2 1 257.328 2.449 20 0 CEADMP COc1cncc(C[NH2+]CCCCn2cc[nH+]c2C)c1C ZINC000631079285 351953410 /nfs/dbraw/zinc/95/34/10/351953410.db2.gz FQTWVEAFJGQOHH-UHFFFAOYSA-N 2 1 288.395 2.474 20 0 CEADMP Cc1cc(C)c(/C=C\C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(C)c1 ZINC000631112937 351969628 /nfs/dbraw/zinc/96/96/28/351969628.db2.gz SEBMQPOBOWHJGH-OOFWQKGWSA-N 2 1 288.435 2.281 20 0 CEADMP Cc1cc(C)c(/C=C\C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(C)c1 ZINC000631112937 351969631 /nfs/dbraw/zinc/96/96/31/351969631.db2.gz SEBMQPOBOWHJGH-OOFWQKGWSA-N 2 1 288.435 2.281 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(C[NH3+])o1 ZINC000237497736 539852888 /nfs/dbraw/zinc/85/28/88/539852888.db2.gz LHQABZHGIGYAAL-ZDUSSCGKSA-N 2 1 293.411 2.123 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000292065481 198150228 /nfs/dbraw/zinc/15/02/28/198150228.db2.gz KMSMRSXOLUNHNX-HOCLYGCPSA-N 2 1 291.439 2.313 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000292147844 198181054 /nfs/dbraw/zinc/18/10/54/198181054.db2.gz NDVQZXDRLOGNPQ-GOSISDBHSA-N 2 1 296.418 2.400 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000292147844 198181056 /nfs/dbraw/zinc/18/10/56/198181056.db2.gz NDVQZXDRLOGNPQ-GOSISDBHSA-N 2 1 296.418 2.400 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000292147844 198181064 /nfs/dbraw/zinc/18/10/64/198181064.db2.gz NDVQZXDRLOGNPQ-GOSISDBHSA-N 3 1 296.418 2.400 20 0 CEADMP COC(=O)c1cccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292169453 198189605 /nfs/dbraw/zinc/18/96/05/198189605.db2.gz PNILOTMORBVZSF-KRWDZBQOSA-N 2 1 288.391 2.001 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](C)[C@H](F)C2)CC1 ZINC000669692079 539935574 /nfs/dbraw/zinc/93/55/74/539935574.db2.gz GFLWWKYNINPMOW-JKSUJKDBSA-N 2 1 285.451 2.082 20 0 CEADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000336452976 213319708 /nfs/dbraw/zinc/31/97/08/213319708.db2.gz ZCUJFWKKSJEBNN-UONOGXRCSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000336452976 213319711 /nfs/dbraw/zinc/31/97/11/213319711.db2.gz ZCUJFWKKSJEBNN-UONOGXRCSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)o1 ZINC000336452976 213319714 /nfs/dbraw/zinc/31/97/14/213319714.db2.gz ZCUJFWKKSJEBNN-UONOGXRCSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)o1 ZINC000336452976 213319717 /nfs/dbraw/zinc/31/97/17/213319717.db2.gz ZCUJFWKKSJEBNN-UONOGXRCSA-N 2 1 277.412 2.462 20 0 CEADMP C[C@H](CCO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000151944597 187987830 /nfs/dbraw/zinc/98/78/30/187987830.db2.gz XWANYJQEOKUPRC-CQSZACIVSA-N 2 1 294.414 2.193 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cncc(F)c1 ZINC000152456538 188020510 /nfs/dbraw/zinc/02/05/10/188020510.db2.gz XDEYPJAASJDRPH-NEPJUHHUSA-N 2 1 263.360 2.356 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cncc(F)c1 ZINC000152456538 188020512 /nfs/dbraw/zinc/02/05/12/188020512.db2.gz XDEYPJAASJDRPH-NEPJUHHUSA-N 2 1 263.360 2.356 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000153751308 188102197 /nfs/dbraw/zinc/10/21/97/188102197.db2.gz OMRKLBPYNSRTLH-WMLDXEAASA-N 2 1 276.424 2.478 20 0 CEADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000251536479 539976455 /nfs/dbraw/zinc/97/64/55/539976455.db2.gz AODYAKLMRJMPJD-SWLSCSKDSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@H]1C[C@H](Nc2cnn(-c3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000679128565 539978058 /nfs/dbraw/zinc/97/80/58/539978058.db2.gz WGTXVACTQZHMMM-QWHCGFSZSA-N 2 1 271.368 2.162 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CCO)c1ccccc1 ZINC000271672266 191270890 /nfs/dbraw/zinc/27/08/90/191270890.db2.gz NJJDPSNMPGLHAT-INIZCTEOSA-N 2 1 273.380 2.295 20 0 CEADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000157918189 188346863 /nfs/dbraw/zinc/34/68/63/188346863.db2.gz DDMWCFCDHVSDDM-ZACQAIPSSA-N 2 1 274.408 2.111 20 0 CEADMP CC[N@H+](C)CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000158775591 188393545 /nfs/dbraw/zinc/39/35/45/188393545.db2.gz CMGSJPIELBMHSC-HNNXBMFYSA-N 2 1 293.455 2.229 20 0 CEADMP CC[N@@H+](C)CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000158775591 188393547 /nfs/dbraw/zinc/39/35/47/188393547.db2.gz CMGSJPIELBMHSC-HNNXBMFYSA-N 2 1 293.455 2.229 20 0 CEADMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)CC(C)C ZINC000494882931 291002805 /nfs/dbraw/zinc/00/28/05/291002805.db2.gz MFJZZNJAMIZQAN-GJZGRUSLSA-N 2 1 297.487 2.390 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@@H]1C ZINC000494931120 291005672 /nfs/dbraw/zinc/00/56/72/291005672.db2.gz PYWADNZSBACGHH-DTDBQYNISA-N 2 1 288.435 2.387 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000252834094 540008753 /nfs/dbraw/zinc/00/87/53/540008753.db2.gz QGNMZOOZVLEEJH-BFHYXJOUSA-N 2 1 260.381 2.222 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCSC2)C1 ZINC000494953833 291006557 /nfs/dbraw/zinc/00/65/57/291006557.db2.gz QVFPISNTAIVFGU-LSDHHAIUSA-N 2 1 268.470 2.403 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000494953833 291006559 /nfs/dbraw/zinc/00/65/59/291006559.db2.gz QVFPISNTAIVFGU-LSDHHAIUSA-N 2 1 268.470 2.403 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000494953833 291006563 /nfs/dbraw/zinc/00/65/63/291006563.db2.gz QVFPISNTAIVFGU-LSDHHAIUSA-N 2 1 268.470 2.403 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCSC2)[C@H](C)C1 ZINC000494989047 291009652 /nfs/dbraw/zinc/00/96/52/291009652.db2.gz ZXTJURKHLADSLV-RDBSUJKOSA-N 2 1 256.459 2.402 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCSC2)[C@H](C)C1 ZINC000494989047 291009655 /nfs/dbraw/zinc/00/96/55/291009655.db2.gz ZXTJURKHLADSLV-RDBSUJKOSA-N 2 1 256.459 2.402 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCSC2)[C@H](C)C1 ZINC000494989047 291009657 /nfs/dbraw/zinc/00/96/57/291009657.db2.gz ZXTJURKHLADSLV-RDBSUJKOSA-N 2 1 256.459 2.402 20 0 CEADMP CC(C)C[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000338049721 366191828 /nfs/dbraw/zinc/19/18/28/366191828.db2.gz LCSPOUKUOKELPK-XHSDSOJGSA-N 2 1 295.471 2.048 20 0 CEADMP COc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1O ZINC000133410506 366220563 /nfs/dbraw/zinc/22/05/63/366220563.db2.gz HJCAOILRKPIQHR-ZDUSSCGKSA-N 2 1 266.385 2.206 20 0 CEADMP COc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1O ZINC000133410506 366220568 /nfs/dbraw/zinc/22/05/68/366220568.db2.gz HJCAOILRKPIQHR-ZDUSSCGKSA-N 2 1 266.385 2.206 20 0 CEADMP CO[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000451555723 283033981 /nfs/dbraw/zinc/03/39/81/283033981.db2.gz CBNBJZCBKGTYBM-DZGCQCFKSA-N 2 1 265.401 2.329 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000451555723 283033984 /nfs/dbraw/zinc/03/39/84/283033984.db2.gz CBNBJZCBKGTYBM-DZGCQCFKSA-N 2 1 265.401 2.329 20 0 CEADMP c1c[nH]c([C@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000569817531 299220822 /nfs/dbraw/zinc/22/08/22/299220822.db2.gz OQIAXCOPBBUWIU-INIZCTEOSA-N 2 1 296.418 2.435 20 0 CEADMP c1[nH]nc(-c2cccnc2)c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352540588 219499787 /nfs/dbraw/zinc/49/97/87/219499787.db2.gz NAZOGPNUUZHCOL-KRWDZBQOSA-N 2 1 297.406 2.047 20 0 CEADMP c1[nH]nc(-c2cccnc2)c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352540588 219499790 /nfs/dbraw/zinc/49/97/90/219499790.db2.gz NAZOGPNUUZHCOL-KRWDZBQOSA-N 2 1 297.406 2.047 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000679346195 540045182 /nfs/dbraw/zinc/04/51/82/540045182.db2.gz AOQCVGADRRHVJH-HLLBOEOZSA-N 2 1 296.455 2.035 20 0 CEADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000401091168 540076189 /nfs/dbraw/zinc/07/61/89/540076189.db2.gz VQKRGCDKOIFVBY-HOTGVXAUSA-N 2 1 273.424 2.457 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(F)c1 ZINC000380494565 540132969 /nfs/dbraw/zinc/13/29/69/540132969.db2.gz WXJUOMZHAFUZCE-BBRMVZONSA-N 2 1 278.371 2.395 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(F)c1 ZINC000380494565 540132971 /nfs/dbraw/zinc/13/29/71/540132971.db2.gz WXJUOMZHAFUZCE-BBRMVZONSA-N 2 1 278.371 2.395 20 0 CEADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000347307050 540156158 /nfs/dbraw/zinc/15/61/58/540156158.db2.gz HZDSAROSVWLPBL-SOUVJXGZSA-N 2 1 255.450 2.037 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)[C@@H]2CCC[C@H]21 ZINC000353436050 283133171 /nfs/dbraw/zinc/13/31/71/283133171.db2.gz AUOUSYNWYILYTN-YESZJQIVSA-N 2 1 277.456 2.076 20 0 CEADMP C[N@H+]1CC[C@H](NCC[NH+]2CCCCCC2)[C@@H]2CCC[C@H]21 ZINC000367611196 283136255 /nfs/dbraw/zinc/13/62/55/283136255.db2.gz ATVFEFWPOLXRIN-YESZJQIVSA-N 2 1 279.472 2.325 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000495912155 291090560 /nfs/dbraw/zinc/09/05/60/291090560.db2.gz MLMKOVSFRMBHGD-AWEZNQCLSA-N 2 1 299.459 2.223 20 0 CEADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000495961123 291095539 /nfs/dbraw/zinc/09/55/39/291095539.db2.gz JQHGVQNWIZJMNJ-UHFFFAOYSA-N 2 1 299.459 2.175 20 0 CEADMP COC[C@@H]1CCCC[NH+]1CCC[N@@H+]1CCCC[C@H]1COC ZINC000452046746 283170630 /nfs/dbraw/zinc/17/06/30/283170630.db2.gz YXMZFUWTJSMNIS-IRXDYDNUSA-N 2 1 298.471 2.378 20 0 CEADMP CCCCC[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338275473 366265209 /nfs/dbraw/zinc/26/52/09/366265209.db2.gz IVZJDSGBFFWZIR-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP [NH3+]CCC[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000414712550 540245113 /nfs/dbraw/zinc/24/51/13/540245113.db2.gz UOVDJIOEPAICOK-UHFFFAOYSA-N 2 1 277.195 2.137 20 0 CEADMP [NH3+]CCC[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000414712550 540245114 /nfs/dbraw/zinc/24/51/14/540245114.db2.gz UOVDJIOEPAICOK-UHFFFAOYSA-N 2 1 277.195 2.137 20 0 CEADMP CCCCC[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338275473 366265211 /nfs/dbraw/zinc/26/52/11/366265211.db2.gz IVZJDSGBFFWZIR-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[NH+](CCCC)CCC(=O)N1CC[NH+](C)CC1 ZINC000338260214 366258619 /nfs/dbraw/zinc/25/86/19/366258619.db2.gz CTPBEHAFAVKKMY-UHFFFAOYSA-N 2 1 283.460 2.053 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2scnc2C2CC2)C[C@@H]1C[NH3+] ZINC000415130344 540250540 /nfs/dbraw/zinc/25/05/40/540250540.db2.gz QOJMSMGHFYVRFE-JQWIXIFHSA-N 2 1 265.426 2.437 20 0 CEADMP CCNC(=O)OC[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000496134721 291110849 /nfs/dbraw/zinc/11/08/49/291110849.db2.gz SWILWRCDUDSCTF-HUUCEWRRSA-N 2 1 297.443 2.071 20 0 CEADMP CCNC(=O)OC[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000496134721 291110851 /nfs/dbraw/zinc/11/08/51/291110851.db2.gz SWILWRCDUDSCTF-HUUCEWRRSA-N 2 1 297.443 2.071 20 0 CEADMP CCNC(=O)OC[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000496134721 291110852 /nfs/dbraw/zinc/11/08/52/291110852.db2.gz SWILWRCDUDSCTF-HUUCEWRRSA-N 2 1 297.443 2.071 20 0 CEADMP CCNC(=O)OC[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000496134721 291110854 /nfs/dbraw/zinc/11/08/54/291110854.db2.gz SWILWRCDUDSCTF-HUUCEWRRSA-N 2 1 297.443 2.071 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452174831 283214402 /nfs/dbraw/zinc/21/44/02/283214402.db2.gz RESBFNPCZHBLEO-ZIAGYGMSSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cscn2)[C@H](C)C1 ZINC000134858370 366365158 /nfs/dbraw/zinc/36/51/58/366365158.db2.gz HUWVYQBSRHOCSV-DGCLKSJQSA-N 2 1 253.415 2.006 20 0 CEADMP C[C@@H](Nc1cc[nH+]c2ccccc12)[C@H]1C[N@H+](C)CCO1 ZINC000154846415 540277874 /nfs/dbraw/zinc/27/78/74/540277874.db2.gz GUZGAOWNBYBMQB-MLGOLLRUSA-N 2 1 271.364 2.366 20 0 CEADMP C[C@@H](Nc1cc[nH+]c2ccccc12)[C@H]1C[N@@H+](C)CCO1 ZINC000154846415 540277877 /nfs/dbraw/zinc/27/78/77/540277877.db2.gz GUZGAOWNBYBMQB-MLGOLLRUSA-N 2 1 271.364 2.366 20 0 CEADMP CC(C)c1ncc(CNCc2cncn2C)s1 ZINC000352449444 540301796 /nfs/dbraw/zinc/30/17/96/540301796.db2.gz ZQBJHEHOQOBKDN-UHFFFAOYSA-N 2 1 250.371 2.290 20 0 CEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000353520661 540316310 /nfs/dbraw/zinc/31/63/10/540316310.db2.gz OLCRGZRKEDBCTR-JYJNAYRXSA-N 2 1 268.445 2.248 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1F ZINC000166061961 540330420 /nfs/dbraw/zinc/33/04/20/540330420.db2.gz RXZYJGQNTSKPLH-YUTCNCBUSA-N 2 1 278.371 2.394 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](O)CC(C)(C)C1 ZINC000336235849 213067567 /nfs/dbraw/zinc/06/75/67/213067567.db2.gz PTJDGBMCTBICND-GJZGRUSLSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000336235849 213067571 /nfs/dbraw/zinc/06/75/71/213067571.db2.gz PTJDGBMCTBICND-GJZGRUSLSA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000336235849 213067575 /nfs/dbraw/zinc/06/75/75/213067575.db2.gz PTJDGBMCTBICND-GJZGRUSLSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)[C@@H](C)O1 ZINC000414509679 236394102 /nfs/dbraw/zinc/39/41/02/236394102.db2.gz CMOWRVSHYHVDEM-UPJWGTAASA-N 2 1 263.385 2.051 20 0 CEADMP C[C@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)C[N@H+]1C1CC1 ZINC000352748180 291145032 /nfs/dbraw/zinc/14/50/32/291145032.db2.gz JCIDKAZXNSQXIL-ZFWWWQNUSA-N 2 1 277.456 2.218 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000294901975 199239200 /nfs/dbraw/zinc/23/92/00/199239200.db2.gz RQDJKKSVKMKBJT-DZUCGIPZSA-N 2 1 274.408 2.152 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000294901975 199239201 /nfs/dbraw/zinc/23/92/01/199239201.db2.gz RQDJKKSVKMKBJT-DZUCGIPZSA-N 2 1 274.408 2.152 20 0 CEADMP CCCc1nc(C)c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000578206321 366460534 /nfs/dbraw/zinc/46/05/34/366460534.db2.gz PAAMPJMXWYCXBW-NEPJUHHUSA-N 2 1 251.374 2.295 20 0 CEADMP CCn1cncc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000578425499 366492629 /nfs/dbraw/zinc/49/26/29/366492629.db2.gz IAHFXOGKNJFOSB-UHFFFAOYSA-N 2 1 278.444 2.455 20 0 CEADMP CCC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000310946912 540450096 /nfs/dbraw/zinc/45/00/96/540450096.db2.gz XYHSTNBLSSGNKI-GJZGRUSLSA-N 2 1 256.434 2.342 20 0 CEADMP CCC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000310946912 540450100 /nfs/dbraw/zinc/45/01/00/540450100.db2.gz XYHSTNBLSSGNKI-GJZGRUSLSA-N 2 1 256.434 2.342 20 0 CEADMP CCC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000310946912 540450104 /nfs/dbraw/zinc/45/01/04/540450104.db2.gz XYHSTNBLSSGNKI-GJZGRUSLSA-N 2 1 256.434 2.342 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1C ZINC000667693680 540521285 /nfs/dbraw/zinc/52/12/85/540521285.db2.gz SASHVYYTSWEIHV-OLZOCXBDSA-N 2 1 256.353 2.498 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1C ZINC000667693680 540521287 /nfs/dbraw/zinc/52/12/87/540521287.db2.gz SASHVYYTSWEIHV-OLZOCXBDSA-N 2 1 256.353 2.498 20 0 CEADMP Cc1ncc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)n1C ZINC000667965745 540543087 /nfs/dbraw/zinc/54/30/87/540543087.db2.gz QACTWZMQKQLPFC-OAHLLOKOSA-N 2 1 270.380 2.188 20 0 CEADMP Cc1[nH+]cc(CN(CC[NH+](C)C)C2CCCC2)n1C ZINC000668008641 540550846 /nfs/dbraw/zinc/55/08/46/540550846.db2.gz ARYCZUKZBWTJSH-UHFFFAOYSA-N 2 1 264.417 2.035 20 0 CEADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000297354128 200160269 /nfs/dbraw/zinc/16/02/69/200160269.db2.gz BQRHVNQVQBHFOO-SJORKVTESA-N 2 1 276.424 2.128 20 0 CEADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(N(C)C)CCC1 ZINC000097927768 296000393 /nfs/dbraw/zinc/00/03/93/296000393.db2.gz WYINDOBUUNOTFY-GJZGRUSLSA-N 3 1 267.461 2.371 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000578741255 366541589 /nfs/dbraw/zinc/54/15/89/366541589.db2.gz NJNUZVFQUMYJLL-CVEARBPZSA-N 2 1 268.445 2.249 20 0 CEADMP C[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000297568683 200230134 /nfs/dbraw/zinc/23/01/34/200230134.db2.gz CPLGRBNUQRFFFO-NJAFHUGGSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000297568683 200230135 /nfs/dbraw/zinc/23/01/35/200230135.db2.gz CPLGRBNUQRFFFO-NJAFHUGGSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000297568683 200230137 /nfs/dbraw/zinc/23/01/37/200230137.db2.gz CPLGRBNUQRFFFO-NJAFHUGGSA-N 2 1 288.435 2.354 20 0 CEADMP COc1cccc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)c1 ZINC000297580710 200233360 /nfs/dbraw/zinc/23/33/60/200233360.db2.gz YQRVBTICLXDEKJ-KRWDZBQOSA-N 2 1 290.407 2.068 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]C2(C(=O)Nc3ccccc3)CC2)C1 ZINC000571226019 299300158 /nfs/dbraw/zinc/30/01/58/299300158.db2.gz HIFMGLJXOCDRID-JSGCOSHPSA-N 2 1 273.380 2.017 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC(C)(C)C)[C@H](C)C1 ZINC000081095624 363701846 /nfs/dbraw/zinc/70/18/46/363701846.db2.gz KHSCNXORVZDJMT-KGLIPLIRSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC(C)(C)C)[C@H](C)C1 ZINC000081095624 363701849 /nfs/dbraw/zinc/70/18/49/363701849.db2.gz KHSCNXORVZDJMT-KGLIPLIRSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC(C)(C)C)[C@H](C)C1 ZINC000081095624 363701852 /nfs/dbraw/zinc/70/18/52/363701852.db2.gz KHSCNXORVZDJMT-KGLIPLIRSA-N 2 1 256.434 2.464 20 0 CEADMP C[C@@H](c1ccncc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000579490018 366653772 /nfs/dbraw/zinc/65/37/72/366653772.db2.gz KRHIURJUQMEOFH-ZDUSSCGKSA-N 2 1 258.369 2.441 20 0 CEADMP C[C@@H](c1ccncc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000579490018 366653777 /nfs/dbraw/zinc/65/37/77/366653777.db2.gz KRHIURJUQMEOFH-ZDUSSCGKSA-N 2 1 258.369 2.441 20 0 CEADMP C[C@H](c1ccncc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000579490017 366654524 /nfs/dbraw/zinc/65/45/24/366654524.db2.gz KRHIURJUQMEOFH-CYBMUJFWSA-N 2 1 258.369 2.441 20 0 CEADMP C[C@H](c1ccncc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000579490017 366654529 /nfs/dbraw/zinc/65/45/29/366654529.db2.gz KRHIURJUQMEOFH-CYBMUJFWSA-N 2 1 258.369 2.441 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298025789 200319569 /nfs/dbraw/zinc/31/95/69/200319569.db2.gz FGVUXTWIDCOWDL-QGZVFWFLSA-N 2 1 274.408 2.245 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339066416 366638818 /nfs/dbraw/zinc/63/88/18/366638818.db2.gz CIWVDXMRZHOITN-YVSFHVDLSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339066416 366638820 /nfs/dbraw/zinc/63/88/20/366638820.db2.gz CIWVDXMRZHOITN-YVSFHVDLSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066416 366638823 /nfs/dbraw/zinc/63/88/23/366638823.db2.gz CIWVDXMRZHOITN-YVSFHVDLSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCSC[C@H]2C[NH+](C)CCO2)C1 ZINC000579495714 366656104 /nfs/dbraw/zinc/65/61/04/366656104.db2.gz JKBDSVKGCUDLDM-QLFBSQMISA-N 2 1 286.485 2.028 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCSC[C@H]2C[NH+](C)CCO2)C1 ZINC000579495714 366656107 /nfs/dbraw/zinc/65/61/07/366656107.db2.gz JKBDSVKGCUDLDM-QLFBSQMISA-N 2 1 286.485 2.028 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCSC[C@H]2C[N@H+](C)CCO2)C1 ZINC000579495714 366656109 /nfs/dbraw/zinc/65/61/09/366656109.db2.gz JKBDSVKGCUDLDM-QLFBSQMISA-N 2 1 286.485 2.028 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCSC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000579495714 366656113 /nfs/dbraw/zinc/65/61/13/366656113.db2.gz JKBDSVKGCUDLDM-QLFBSQMISA-N 2 1 286.485 2.028 20 0 CEADMP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000298040029 200321029 /nfs/dbraw/zinc/32/10/29/200321029.db2.gz HEUWKRWOVTVLJW-MRXNPFEDSA-N 2 1 278.371 2.076 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cn(C(C)C)nc3C2)CC1 ZINC000341880840 216137006 /nfs/dbraw/zinc/13/70/06/216137006.db2.gz XBVFLFDIZMPGJM-INIZCTEOSA-N 2 1 290.455 2.395 20 0 CEADMP Cc1cnn(CC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000341903509 216146490 /nfs/dbraw/zinc/14/64/90/216146490.db2.gz PELMSZKHUCYZRZ-HOTGVXAUSA-N 2 1 290.455 2.434 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000674067629 540721648 /nfs/dbraw/zinc/72/16/48/540721648.db2.gz LXXHJAQEJDERIK-YOEHRIQHSA-N 2 1 284.407 2.410 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000674067629 540721651 /nfs/dbraw/zinc/72/16/51/540721651.db2.gz LXXHJAQEJDERIK-YOEHRIQHSA-N 2 1 284.407 2.410 20 0 CEADMP c1cc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cs1 ZINC000178976268 189159012 /nfs/dbraw/zinc/15/90/12/189159012.db2.gz XQOZAXGWVRTMDK-CQSZACIVSA-N 2 1 266.410 2.121 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000571561697 299316183 /nfs/dbraw/zinc/31/61/83/299316183.db2.gz UIFNPLHUAFKATK-KRWDZBQOSA-N 2 1 288.391 2.049 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000571561697 299316186 /nfs/dbraw/zinc/31/61/86/299316186.db2.gz UIFNPLHUAFKATK-KRWDZBQOSA-N 2 1 288.391 2.049 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2cccnc2-n2cccn2)CC1 ZINC000675742704 540870516 /nfs/dbraw/zinc/87/05/16/540870516.db2.gz DSQMNOSDMWBDRX-UHFFFAOYSA-N 2 1 299.422 2.231 20 0 CEADMP CC(C)[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675883165 540878661 /nfs/dbraw/zinc/87/86/61/540878661.db2.gz XEKOYTKYMBWRMS-DZGCQCFKSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000675883164 540878745 /nfs/dbraw/zinc/87/87/45/540878745.db2.gz XDHSUARGFHMMAR-JKSUJKDBSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675883169 540878753 /nfs/dbraw/zinc/87/87/53/540878753.db2.gz XEKOYTKYMBWRMS-UKRRQHHQSA-N 2 1 254.418 2.264 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000676207428 540905688 /nfs/dbraw/zinc/90/56/88/540905688.db2.gz DEFNNQCENRTKEE-GJZGRUSLSA-N 3 1 269.477 2.427 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000676207428 540905689 /nfs/dbraw/zinc/90/56/89/540905689.db2.gz DEFNNQCENRTKEE-GJZGRUSLSA-N 3 1 269.477 2.427 20 0 CEADMP C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180152871 189239680 /nfs/dbraw/zinc/23/96/80/189239680.db2.gz ZMVRCRORJSGRHY-LNRIEFBSSA-N 2 1 274.408 2.152 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCC[C@H](CO)C1 ZINC000342258736 216281041 /nfs/dbraw/zinc/28/10/41/216281041.db2.gz ZBTFMKQHQNCCKC-KGLIPLIRSA-N 2 1 277.412 2.036 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000571697269 299324089 /nfs/dbraw/zinc/32/40/89/299324089.db2.gz FVGSPMMXGVDHHA-SZMVWBNQSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000571697269 299324092 /nfs/dbraw/zinc/32/40/92/299324092.db2.gz FVGSPMMXGVDHHA-SZMVWBNQSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000571697269 299324093 /nfs/dbraw/zinc/32/40/93/299324093.db2.gz FVGSPMMXGVDHHA-SZMVWBNQSA-N 2 1 290.451 2.252 20 0 CEADMP C[N@@H+](CCNC(=O)c1ccc(C[NH3+])cc1)Cc1ccccc1 ZINC000237147179 370695099 /nfs/dbraw/zinc/69/50/99/370695099.db2.gz FYDJZEPLABFDOL-UHFFFAOYSA-N 2 1 297.402 2.007 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000011888600 361367387 /nfs/dbraw/zinc/36/73/87/361367387.db2.gz HDYBJHSXOVZIAK-LBPRGKRZSA-N 2 1 268.788 2.390 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000011888814 361367489 /nfs/dbraw/zinc/36/74/89/361367489.db2.gz KSGBWLYROPORIN-HNNXBMFYSA-N 2 1 262.397 2.169 20 0 CEADMP COCC[N@@H+](CCn1ccnc1C)C1CCCC1 ZINC000677980809 541064379 /nfs/dbraw/zinc/06/43/79/541064379.db2.gz KFEXUDXCKIWHSH-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP COCC[N@H+](CCn1cc[nH+]c1C)C1CCCC1 ZINC000677980809 541064383 /nfs/dbraw/zinc/06/43/83/541064383.db2.gz KFEXUDXCKIWHSH-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP COCC[N@@H+](CCn1cc[nH+]c1C)C1CCCC1 ZINC000677980809 541064386 /nfs/dbraw/zinc/06/43/86/541064386.db2.gz KFEXUDXCKIWHSH-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000340238433 366815196 /nfs/dbraw/zinc/81/51/96/366815196.db2.gz IWPCAUTUPSYQMI-ZBFHGGJFSA-N 2 1 296.842 2.173 20 0 CEADMP Cc1ccc(C[C@H]2CCC[N@@H+](CCOCC[NH3+])C2)cc1 ZINC000581824812 366824623 /nfs/dbraw/zinc/82/46/23/366824623.db2.gz BXACTUDGBYSRFY-QGZVFWFLSA-N 2 1 276.424 2.225 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)CO1 ZINC000678153287 541088984 /nfs/dbraw/zinc/08/89/84/541088984.db2.gz IAJXVAPNCFPZNH-GJZGRUSLSA-N 2 1 292.423 2.236 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)CO1 ZINC000678153287 541088987 /nfs/dbraw/zinc/08/89/87/541088987.db2.gz IAJXVAPNCFPZNH-GJZGRUSLSA-N 2 1 292.423 2.236 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nc2c(s1)CCC2 ZINC000678496940 541142717 /nfs/dbraw/zinc/14/27/17/541142717.db2.gz BAGOCBOESQGJDQ-UHFFFAOYSA-N 2 1 276.409 2.317 20 0 CEADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678587121 541152672 /nfs/dbraw/zinc/15/26/72/541152672.db2.gz NDTAGNNDBQHNGK-SPUZQDLCSA-N 2 1 288.435 2.367 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000089147481 363937133 /nfs/dbraw/zinc/93/71/33/363937133.db2.gz ZFBRSOJUDRYSAO-FUHWJXTLSA-N 2 1 287.451 2.368 20 0 CEADMP O[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000089160418 363940354 /nfs/dbraw/zinc/94/03/54/363940354.db2.gz DGNNPPJJWZDMLH-AEFFLSMTSA-N 2 1 288.435 2.402 20 0 CEADMP C[NH2+]CCCC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000237182317 370698285 /nfs/dbraw/zinc/69/82/85/370698285.db2.gz LNCVZDUSPANXGL-UHFFFAOYSA-N 2 1 291.439 2.143 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(C)C2=O)cc1 ZINC000090074706 364038451 /nfs/dbraw/zinc/03/84/51/364038451.db2.gz LHADSGQZZFAUDA-BLLLJJGKSA-N 2 1 298.390 2.062 20 0 CEADMP c1[nH+]c(C2CC[NH+](C[C@H]3CCOC3)CC2)n2c1CCCC2 ZINC000334640421 364119901 /nfs/dbraw/zinc/11/99/01/364119901.db2.gz OLNKELFWVCWWNN-CQSZACIVSA-N 2 1 289.423 2.435 20 0 CEADMP C1CC1[NH+]1CCC(N[C@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000093452309 364184306 /nfs/dbraw/zinc/18/43/06/364184306.db2.gz TYVKDPTZLZUONM-IKGGRYGDSA-N 2 1 277.456 2.124 20 0 CEADMP CO[C@](C)(C[NH2+]C1CC[NH+](CCOC(C)C)CC1)C1CC1 ZINC000638730213 370715554 /nfs/dbraw/zinc/71/55/54/370715554.db2.gz VKRBRRRNLJRGDN-QGZVFWFLSA-N 2 1 298.471 2.281 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000237648607 370741568 /nfs/dbraw/zinc/74/15/68/370741568.db2.gz RXHNUVYNGOYEME-OLZOCXBDSA-N 2 1 299.378 2.032 20 0 CEADMP COc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)c(OC)c1 ZINC000094010728 364246104 /nfs/dbraw/zinc/24/61/04/364246104.db2.gz COEHHKGXDRLMIC-UHFFFAOYSA-N 2 1 278.396 2.135 20 0 CEADMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@@H](CC)C(=O)OCC ZINC000094025707 364248010 /nfs/dbraw/zinc/24/80/10/364248010.db2.gz DYWYRSNVIFDYBS-AWEZNQCLSA-N 2 1 270.417 2.040 20 0 CEADMP C(C[N@H+]1CCC[C@]2(CCCOC2)C1)[C@H]1CCC[NH2+]C1 ZINC000334784439 364265555 /nfs/dbraw/zinc/26/55/55/364265555.db2.gz LUMDNOJYYDSDKN-CVEARBPZSA-N 2 1 266.429 2.269 20 0 CEADMP C[C@H]1C[N@@H+](CCOc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000094341397 364269440 /nfs/dbraw/zinc/26/94/40/364269440.db2.gz HZMYCFSWKQCZEM-FZMZJTMJSA-N 2 1 268.788 2.388 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000679997804 541351784 /nfs/dbraw/zinc/35/17/84/541351784.db2.gz WONDOJLHSCAOHN-GJZGRUSLSA-N 2 1 284.469 2.115 20 0 CEADMP c1cc(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC000334979391 364303532 /nfs/dbraw/zinc/30/35/32/364303532.db2.gz GGZGMVQJZYLNRB-GOSISDBHSA-N 2 1 286.419 2.240 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000335670175 212390013 /nfs/dbraw/zinc/39/00/13/212390013.db2.gz MKQIRYQTGPFFGW-LRDDRELGSA-N 2 1 260.381 2.147 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)C(C)(C)C)cc1 ZINC000581944164 366838019 /nfs/dbraw/zinc/83/80/19/366838019.db2.gz UNTUJCSXHWCZII-CYBMUJFWSA-N 2 1 250.386 2.468 20 0 CEADMP FC1(F)CC[C@H](C[N@H+]2CC[C@@H](CN3CCOCC3)C2)C1 ZINC000340291714 366838232 /nfs/dbraw/zinc/83/82/32/366838232.db2.gz UAUFZEBZBALOPB-KBPBESRZSA-N 2 1 288.382 2.076 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000096268647 364419914 /nfs/dbraw/zinc/41/99/14/364419914.db2.gz AVFKQSXJDXPDGN-MRXNPFEDSA-N 2 1 260.381 2.223 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000096268647 364419919 /nfs/dbraw/zinc/41/99/19/364419919.db2.gz AVFKQSXJDXPDGN-MRXNPFEDSA-N 2 1 260.381 2.223 20 0 CEADMP COc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000096268647 364419923 /nfs/dbraw/zinc/41/99/23/364419923.db2.gz AVFKQSXJDXPDGN-MRXNPFEDSA-N 2 1 260.381 2.223 20 0 CEADMP COc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000096268647 364419927 /nfs/dbraw/zinc/41/99/27/364419927.db2.gz AVFKQSXJDXPDGN-MRXNPFEDSA-N 2 1 260.381 2.223 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000335188084 364597727 /nfs/dbraw/zinc/59/77/27/364597727.db2.gz FFUVIFBYBNWWSE-YPMHNXCESA-N 2 1 258.369 2.325 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1Nc1ccc2c(c1)[nH+]cn2C ZINC000335188084 364597733 /nfs/dbraw/zinc/59/77/33/364597733.db2.gz FFUVIFBYBNWWSE-YPMHNXCESA-N 2 1 258.369 2.325 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000335518445 364796089 /nfs/dbraw/zinc/79/60/89/364796089.db2.gz NFTRHUINQFTQNX-WMLDXEAASA-N 3 1 279.472 2.371 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)ccc21 ZINC000335634183 212348043 /nfs/dbraw/zinc/34/80/43/212348043.db2.gz MYQINWLFSOPCQN-JKSUJKDBSA-N 2 1 298.434 2.395 20 0 CEADMP Cc1ccn2c(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cnc2c1 ZINC000335631945 212346041 /nfs/dbraw/zinc/34/60/41/212346041.db2.gz DEKDFTJQCXSODG-JKSUJKDBSA-N 2 1 298.434 2.464 20 0 CEADMP CCn1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC000112097019 364773774 /nfs/dbraw/zinc/77/37/74/364773774.db2.gz FKSQACMYVHXNMO-CQSZACIVSA-N 2 1 264.417 2.115 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(-n4cccn4)c3)C2)C1 ZINC000335699784 364851871 /nfs/dbraw/zinc/85/18/71/364851871.db2.gz HQYCCQCROWFFMK-SFHVURJKSA-N 2 1 296.418 2.400 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(-n4cccn4)c3)C2)C1 ZINC000335699784 364851874 /nfs/dbraw/zinc/85/18/74/364851874.db2.gz HQYCCQCROWFFMK-SFHVURJKSA-N 2 1 296.418 2.400 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(-n4cccn4)c3)C2)C1 ZINC000335699784 364851878 /nfs/dbraw/zinc/85/18/78/364851878.db2.gz HQYCCQCROWFFMK-SFHVURJKSA-N 2 1 296.418 2.400 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCOCC23CCCC3)CC[NH2+]1 ZINC000335649026 364818591 /nfs/dbraw/zinc/81/85/91/364818591.db2.gz BFJFMGBNAZXILH-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@H+]1CC[C@@H]2CCN(C/C=C/c3ccncc3)[C@@H]2C1 ZINC000335788412 364984738 /nfs/dbraw/zinc/98/47/38/364984738.db2.gz VAJPBPQVKXZLJH-REUDQUMMSA-N 2 1 257.381 2.121 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000335985999 365255583 /nfs/dbraw/zinc/25/55/83/365255583.db2.gz LYSSFKZWZMUCED-CQSZACIVSA-N 2 1 291.370 2.283 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)OC(C)(C)C ZINC000119428690 365271924 /nfs/dbraw/zinc/27/19/24/365271924.db2.gz SQDMTHJVHLSZOW-UHFFFAOYSA-N 2 1 270.417 2.136 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)OC(C)(C)C ZINC000119428690 365271928 /nfs/dbraw/zinc/27/19/28/365271928.db2.gz SQDMTHJVHLSZOW-UHFFFAOYSA-N 2 1 270.417 2.136 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)CC[C@@H]1[NH3+] ZINC000336055049 365347684 /nfs/dbraw/zinc/34/76/84/365347684.db2.gz YXPNBLPPPXCVFI-RISCZKNCSA-N 2 1 271.364 2.110 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000582249280 366885333 /nfs/dbraw/zinc/88/53/33/366885333.db2.gz JWRZFOWQNBJDKP-ZFWWWQNUSA-N 2 1 262.397 2.439 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000582249278 366885383 /nfs/dbraw/zinc/88/53/83/366885383.db2.gz JWRZFOWQNBJDKP-HIFRSBDPSA-N 2 1 262.397 2.439 20 0 CEADMP CSC1(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCC1 ZINC000336113225 365425097 /nfs/dbraw/zinc/42/50/97/365425097.db2.gz PPWYHPKARQTNLK-ZDUSSCGKSA-N 2 1 254.443 2.300 20 0 CEADMP CSC1(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CCC1 ZINC000336113225 365425099 /nfs/dbraw/zinc/42/50/99/365425099.db2.gz PPWYHPKARQTNLK-ZDUSSCGKSA-N 2 1 254.443 2.300 20 0 CEADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120490005 365432120 /nfs/dbraw/zinc/43/21/20/365432120.db2.gz KNFXVGIUYOBVAM-YWPYICTPSA-N 2 1 278.444 2.040 20 0 CEADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000120490005 365432128 /nfs/dbraw/zinc/43/21/28/365432128.db2.gz KNFXVGIUYOBVAM-YWPYICTPSA-N 2 1 278.444 2.040 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCOCC2(CCC2)C1 ZINC000336190985 365523055 /nfs/dbraw/zinc/52/30/55/365523055.db2.gz MWYZBJFYSMEXNW-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCOCC2(CCC2)C1 ZINC000336190985 365523062 /nfs/dbraw/zinc/52/30/62/365523062.db2.gz MWYZBJFYSMEXNW-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCOCC2(CCC2)C1 ZINC000336190985 365523066 /nfs/dbraw/zinc/52/30/66/365523066.db2.gz MWYZBJFYSMEXNW-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCC23CCOCC3)c1 ZINC000582295212 366890893 /nfs/dbraw/zinc/89/08/93/366890893.db2.gz DSYFGIIHNBZOMZ-MRXNPFEDSA-N 2 1 289.423 2.110 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000340521669 366918800 /nfs/dbraw/zinc/91/88/00/366918800.db2.gz VYWNBOXYKMVGOT-RRFJBIMHSA-N 2 1 264.413 2.018 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000340520425 366919942 /nfs/dbraw/zinc/91/99/42/366919942.db2.gz WHTKVHVADONZHR-BYNSBNAKSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000340520425 366919947 /nfs/dbraw/zinc/91/99/47/366919947.db2.gz WHTKVHVADONZHR-BYNSBNAKSA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@]1(C)CCCc2ccccc21 ZINC000582853458 366968575 /nfs/dbraw/zinc/96/85/75/366968575.db2.gz FJNUMGFOBMJLPD-NVXWUHKLSA-N 2 1 276.424 2.140 20 0 CEADMP C[C@H](CNc1[nH+]ccc2cc(F)ccc21)C[NH+](C)C ZINC000583022400 366990369 /nfs/dbraw/zinc/99/03/69/366990369.db2.gz ZTSBDYIGPAPHSI-LLVKDONJSA-N 2 1 261.344 2.405 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000583125484 367003552 /nfs/dbraw/zinc/00/35/52/367003552.db2.gz ZVONYDXYIWNRLW-ZNMIVQPWSA-N 2 1 282.428 2.182 20 0 CEADMP CC(C)n1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000583492299 367055836 /nfs/dbraw/zinc/05/58/36/367055836.db2.gz BAIDFCMFRNXKRI-DZGCQCFKSA-N 2 1 264.417 2.236 20 0 CEADMP CC(C)n1cc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cn1 ZINC000583492299 367055842 /nfs/dbraw/zinc/05/58/42/367055842.db2.gz BAIDFCMFRNXKRI-DZGCQCFKSA-N 2 1 264.417 2.236 20 0 CEADMP CCCc1ncc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)o1 ZINC000583625168 367074618 /nfs/dbraw/zinc/07/46/18/367074618.db2.gz ODRFKVCCLWYPMY-AAEUAGOBSA-N 2 1 251.374 2.105 20 0 CEADMP CC(C)[NH+]1CCCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000340794701 367032959 /nfs/dbraw/zinc/03/29/59/367032959.db2.gz IBSDAMDHWSAWIQ-XHSDSOJGSA-N 2 1 295.471 2.190 20 0 CEADMP Cc1cnc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)n1C ZINC000341082203 367164029 /nfs/dbraw/zinc/16/40/29/367164029.db2.gz UZGKWKYQKNIDMW-UHFFFAOYSA-N 2 1 272.396 2.080 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000163117789 367219849 /nfs/dbraw/zinc/21/98/49/367219849.db2.gz RFHAMXGHYVFBSC-XOUADPBQSA-N 2 1 268.445 2.246 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000245629674 370851615 /nfs/dbraw/zinc/85/16/15/370851615.db2.gz PQQPQUCMEAJHGQ-QZTJIDSGSA-N 2 1 287.451 2.459 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000245629674 370851617 /nfs/dbraw/zinc/85/16/17/370851617.db2.gz PQQPQUCMEAJHGQ-QZTJIDSGSA-N 2 1 287.451 2.459 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000245629674 370851622 /nfs/dbraw/zinc/85/16/22/370851622.db2.gz PQQPQUCMEAJHGQ-QZTJIDSGSA-N 2 1 287.451 2.459 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCNc1ccccn1 ZINC000162870392 367199463 /nfs/dbraw/zinc/19/94/63/367199463.db2.gz ZIUANOSRWQHMGQ-GJZGRUSLSA-N 2 1 276.428 2.204 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000245612510 370848774 /nfs/dbraw/zinc/84/87/74/370848774.db2.gz KALAZFXLWJPOBA-QKPAOTATSA-N 2 1 278.440 2.266 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1C ZINC000163380729 367235754 /nfs/dbraw/zinc/23/57/54/367235754.db2.gz LUWYOJPCMONBQX-IUODEOHRSA-N 2 1 262.397 2.420 20 0 CEADMP Cc1nccn1CCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000164636000 367292305 /nfs/dbraw/zinc/29/23/05/367292305.db2.gz KTRYEUFYFVFJLC-SQWLQELKSA-N 2 1 278.444 2.290 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000164636000 367292312 /nfs/dbraw/zinc/29/23/12/367292312.db2.gz KTRYEUFYFVFJLC-SQWLQELKSA-N 3 1 278.444 2.290 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000164636000 367292319 /nfs/dbraw/zinc/29/23/19/367292319.db2.gz KTRYEUFYFVFJLC-SQWLQELKSA-N 3 1 278.444 2.290 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CC(N)=O)cc1 ZINC000166671524 367327436 /nfs/dbraw/zinc/32/74/36/367327436.db2.gz WHSVPPIYEQELMI-VXGBXAGGSA-N 2 1 286.379 2.095 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ncccc21 ZINC000631567400 367406211 /nfs/dbraw/zinc/40/62/11/367406211.db2.gz ZIGNIKCBNVGVQF-MRXNPFEDSA-N 2 1 277.412 2.017 20 0 CEADMP CC1(C)CC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000342663729 367474295 /nfs/dbraw/zinc/47/42/95/367474295.db2.gz BGKBZODLPBMZDY-AEFFLSMTSA-N 2 1 288.435 2.402 20 0 CEADMP CC1(C)CC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000342663729 367474301 /nfs/dbraw/zinc/47/43/01/367474301.db2.gz BGKBZODLPBMZDY-AEFFLSMTSA-N 2 1 288.435 2.402 20 0 CEADMP CCC1CC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000342708709 367493404 /nfs/dbraw/zinc/49/34/04/367493404.db2.gz LQYNOELFMVKJRU-YMAMQOFZSA-N 2 1 254.418 2.002 20 0 CEADMP FC1(F)CC[C@H](C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000631827375 367566402 /nfs/dbraw/zinc/56/64/02/367566402.db2.gz NDMKLLVBXWELGH-QWHCGFSZSA-N 2 1 258.356 2.497 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1cccc2c1OC(F)(F)O2 ZINC000631829691 367567469 /nfs/dbraw/zinc/56/74/69/367567469.db2.gz XPKLUKGNQNTOEI-JQWIXIFHSA-N 2 1 298.333 2.362 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1cccc2c1OC(F)(F)O2 ZINC000631829691 367567473 /nfs/dbraw/zinc/56/74/73/367567473.db2.gz XPKLUKGNQNTOEI-JQWIXIFHSA-N 2 1 298.333 2.362 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1cccc2c1OC(F)(F)O2 ZINC000631822528 367560960 /nfs/dbraw/zinc/56/09/60/367560960.db2.gz HGKVGXIPJDNAPU-MNOVXSKESA-N 2 1 298.333 2.220 20 0 CEADMP C([C@@H]1CCCCO1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000631829280 367567591 /nfs/dbraw/zinc/56/75/91/367567591.db2.gz MMFSWCSIUPUOSQ-CVEARBPZSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000631829371 367567645 /nfs/dbraw/zinc/56/76/45/367567645.db2.gz OXKRBHZAZMBVJI-APIJFGDWSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CCCCO1)CC[NH2+]CC2 ZINC000631829040 367567724 /nfs/dbraw/zinc/56/77/24/367567724.db2.gz FEVHKAQVNBIARG-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP COc1ccc(Cl)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631838977 367578343 /nfs/dbraw/zinc/57/83/43/367578343.db2.gz XVKRZESGXGPYKW-ZYHUDNBSSA-N 2 1 268.788 2.375 20 0 CEADMP COc1ccc(Cl)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631838977 367578347 /nfs/dbraw/zinc/57/83/47/367578347.db2.gz XVKRZESGXGPYKW-ZYHUDNBSSA-N 2 1 268.788 2.375 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)s1 ZINC000631890887 367612423 /nfs/dbraw/zinc/61/24/23/367612423.db2.gz WHNWXNRBXHSKPM-WCQYABFASA-N 2 1 251.399 2.025 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)s1 ZINC000631890887 367612426 /nfs/dbraw/zinc/61/24/26/367612426.db2.gz WHNWXNRBXHSKPM-WCQYABFASA-N 2 1 251.399 2.025 20 0 CEADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000342964114 367616043 /nfs/dbraw/zinc/61/60/43/367616043.db2.gz WGKDHKKRHPNVKM-HOTGVXAUSA-N 2 1 297.487 2.011 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@H]3CCc4ccccc43)CC2)C1 ZINC000682069182 541625525 /nfs/dbraw/zinc/62/55/25/541625525.db2.gz CQYSAPHWISIHGR-MJGOQNOKSA-N 2 1 299.462 2.386 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(Cl)c1 ZINC000172383188 367731379 /nfs/dbraw/zinc/73/13/79/367731379.db2.gz GHUWGNDERYKFBX-UHFFFAOYSA-N 2 1 295.858 2.409 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000343583932 367898807 /nfs/dbraw/zinc/89/88/07/367898807.db2.gz ZGXZTTREJPZCSG-USXIJHARSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000173885915 367954110 /nfs/dbraw/zinc/95/41/10/367954110.db2.gz XOHONSDNKMMPQQ-HNNXBMFYSA-N 2 1 290.407 2.231 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC1CC[NH+](CC)CC1 ZINC000344075946 368105743 /nfs/dbraw/zinc/10/57/43/368105743.db2.gz NJTLGLYIBYATDL-AWEZNQCLSA-N 2 1 255.450 2.181 20 0 CEADMP CC[C@H](C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)[NH+](CC)CC ZINC000344543142 368127722 /nfs/dbraw/zinc/12/77/22/368127722.db2.gz UGIZTZJBRVCNGI-HRCADAONSA-N 2 1 297.487 2.343 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000343971574 368096381 /nfs/dbraw/zinc/09/63/81/368096381.db2.gz COJOERAIWRTBOD-WLYUNCDWSA-N 2 1 284.444 2.428 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000343971574 368096387 /nfs/dbraw/zinc/09/63/87/368096387.db2.gz COJOERAIWRTBOD-WLYUNCDWSA-N 2 1 284.444 2.428 20 0 CEADMP C[C@@H]1SCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000682160260 541639336 /nfs/dbraw/zinc/63/93/36/541639336.db2.gz VCHQKLDHNHAIES-CFVMTHIKSA-N 2 1 284.469 2.113 20 0 CEADMP CC[N@@H+](CCCn1ccnc1C)[C@H]1CCC[NH2+]CC1 ZINC000345195238 368189857 /nfs/dbraw/zinc/18/98/57/368189857.db2.gz ABTCYYLWJCIWNN-HNNXBMFYSA-N 2 1 264.417 2.046 20 0 CEADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCC[NH2+]CC1 ZINC000345195238 368189863 /nfs/dbraw/zinc/18/98/63/368189863.db2.gz ABTCYYLWJCIWNN-HNNXBMFYSA-N 3 1 264.417 2.046 20 0 CEADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCC[NH2+]CC1 ZINC000345195238 368189867 /nfs/dbraw/zinc/18/98/67/368189867.db2.gz ABTCYYLWJCIWNN-HNNXBMFYSA-N 3 1 264.417 2.046 20 0 CEADMP CC[N@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000178254636 368294642 /nfs/dbraw/zinc/29/46/42/368294642.db2.gz QBPZLMOLYIFWLN-PBHICJAKSA-N 2 1 279.472 2.181 20 0 CEADMP O[C@H]1C[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000335502827 212182719 /nfs/dbraw/zinc/18/27/19/212182719.db2.gz KGILLJYLGWVGRF-AKAXFMLLSA-N 2 1 289.423 2.170 20 0 CEADMP CC[N@@H+](CCOC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346161964 368568252 /nfs/dbraw/zinc/56/82/52/368568252.db2.gz XRUONVQGTZMGMX-UHFFFAOYSA-N 2 1 274.368 2.044 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000346166347 368571398 /nfs/dbraw/zinc/57/13/98/368571398.db2.gz OBHOGQBRSUVXML-HZPDHXFCSA-N 2 1 267.461 2.133 20 0 CEADMP C[C@@H](C[NH+](C)C)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000346189143 368585900 /nfs/dbraw/zinc/58/59/00/368585900.db2.gz FQKKMAKQXBEZTK-SMDDNHRTSA-N 2 1 297.830 2.009 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000346298534 368625143 /nfs/dbraw/zinc/62/51/43/368625143.db2.gz WNVIHPNFMJPAHH-LSDHHAIUSA-N 2 1 295.471 2.227 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C[C@H]1C ZINC000346343897 368643925 /nfs/dbraw/zinc/64/39/25/368643925.db2.gz TWHBGTHXLXPPTG-FPCVCCKLSA-N 2 1 295.471 2.190 20 0 CEADMP C[C@H](CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000184504577 368700533 /nfs/dbraw/zinc/70/05/33/368700533.db2.gz XQIQLCQJDLJMGE-BZUAXINKSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000572713777 299391683 /nfs/dbraw/zinc/39/16/83/299391683.db2.gz CUWYRQWXYKYHMT-CVEARBPZSA-N 2 1 268.445 2.249 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000185206210 368767513 /nfs/dbraw/zinc/76/75/13/368767513.db2.gz GSWYVFRPJADURT-JKSUJKDBSA-N 2 1 298.471 2.279 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000346690260 368773177 /nfs/dbraw/zinc/77/31/77/368773177.db2.gz TWGUPENPTNTZAS-HIFRSBDPSA-N 2 1 298.390 2.438 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000346641344 368746380 /nfs/dbraw/zinc/74/63/80/368746380.db2.gz BOGTTWJCWHMGIS-DGCLKSJQSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000346643524 368747951 /nfs/dbraw/zinc/74/79/51/368747951.db2.gz NCYALCAXAGKDAK-QWHCGFSZSA-N 2 1 276.380 2.017 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000346643524 368747956 /nfs/dbraw/zinc/74/79/56/368747956.db2.gz NCYALCAXAGKDAK-QWHCGFSZSA-N 2 1 276.380 2.017 20 0 CEADMP Cc1ncc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1-c1ccccc1 ZINC000346646164 368750237 /nfs/dbraw/zinc/75/02/37/368750237.db2.gz ADMZDVIKOLUZHJ-ZFWWWQNUSA-N 2 1 284.407 2.350 20 0 CEADMP Cc1ncc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1-c1ccccc1 ZINC000346646164 368750243 /nfs/dbraw/zinc/75/02/43/368750243.db2.gz ADMZDVIKOLUZHJ-ZFWWWQNUSA-N 2 1 284.407 2.350 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634685592 368813982 /nfs/dbraw/zinc/81/39/82/368813982.db2.gz QWBYLWODKGOJTO-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC1(C)C[C@@H]1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634704687 368830187 /nfs/dbraw/zinc/83/01/87/368830187.db2.gz OBBKPKNTVMCTJI-SJLPKXTDSA-N 2 1 288.435 2.259 20 0 CEADMP CC1(C)C[C@@H]1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704687 368830190 /nfs/dbraw/zinc/83/01/90/368830190.db2.gz OBBKPKNTVMCTJI-SJLPKXTDSA-N 2 1 288.435 2.259 20 0 CEADMP CC/C=C\C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634716226 368837282 /nfs/dbraw/zinc/83/72/82/368837282.db2.gz QRLJVXQBKUMCMF-RJIDQJRZSA-N 2 1 274.408 2.179 20 0 CEADMP CC/C=C\C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716226 368837288 /nfs/dbraw/zinc/83/72/88/368837288.db2.gz QRLJVXQBKUMCMF-RJIDQJRZSA-N 2 1 274.408 2.179 20 0 CEADMP COC(=O)C[C@@H]([NH2+]CCn1cc[nH+]c1C)C1CCCCC1 ZINC000347954511 368838153 /nfs/dbraw/zinc/83/81/53/368838153.db2.gz HLTLVDCGNPXEBT-OAHLLOKOSA-N 2 1 293.411 2.293 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346838475 368790690 /nfs/dbraw/zinc/79/06/90/368790690.db2.gz XNEGYGPRMOCMQI-IACUBPJLSA-N 2 1 276.428 2.266 20 0 CEADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346824277 368790826 /nfs/dbraw/zinc/79/08/26/368790826.db2.gz OSIAJXRUHAAEMM-HRCADAONSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1c(C)nn(C)c1C ZINC000348049972 368874965 /nfs/dbraw/zinc/87/49/65/368874965.db2.gz RAIRNRQIGCHNLE-CQSZACIVSA-N 2 1 275.400 2.283 20 0 CEADMP CCN(CCC[NH+](C)C)C(=O)CCn1cc[nH+]c1C(C)C ZINC000348140512 368916135 /nfs/dbraw/zinc/91/61/35/368916135.db2.gz AGZNKVYATGINLC-UHFFFAOYSA-N 2 1 294.443 2.197 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000348174415 368934815 /nfs/dbraw/zinc/93/48/15/368934815.db2.gz XOMFOVDVXJQLBM-CABCVRRESA-N 2 1 265.401 2.112 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC12CC(C1)C[NH2+]2 ZINC000634993718 369022700 /nfs/dbraw/zinc/02/27/00/369022700.db2.gz CXUCHVIHMRAGGB-XYCLOBBJSA-N 2 1 299.462 2.333 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1C[NH3+] ZINC000635000369 369035273 /nfs/dbraw/zinc/03/52/73/369035273.db2.gz MWSRWJXJTXQOBH-SWLSCSKDSA-N 2 1 255.365 2.261 20 0 CEADMP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cnccn1 ZINC000635004644 369039681 /nfs/dbraw/zinc/03/96/81/369039681.db2.gz FSGHGLDBGNXXMS-ZFWWWQNUSA-N 2 1 270.380 2.087 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)nn1C ZINC000635003564 369040025 /nfs/dbraw/zinc/04/00/25/369040025.db2.gz AKJZTAQKQIFNNJ-ZBFHGGJFSA-N 2 1 286.423 2.339 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635008666 369045341 /nfs/dbraw/zinc/04/53/41/369045341.db2.gz GHQAZSWHICNESQ-SJORKVTESA-N 3 1 273.424 2.082 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348519426 369066950 /nfs/dbraw/zinc/06/69/50/369066950.db2.gz CPAXQVIZYMFKIY-UTUOFQBUSA-N 2 1 262.344 2.221 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)cc1O ZINC000572749337 299395860 /nfs/dbraw/zinc/39/58/60/299395860.db2.gz WWBKDWTZDHCJSU-GFCCVEGCSA-N 2 1 266.385 2.440 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000348894747 369193334 /nfs/dbraw/zinc/19/33/34/369193334.db2.gz PIVHSADKGKNZBT-JKSUJKDBSA-N 2 1 288.391 2.190 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000348894747 369193340 /nfs/dbraw/zinc/19/33/40/369193340.db2.gz PIVHSADKGKNZBT-JKSUJKDBSA-N 2 1 288.391 2.190 20 0 CEADMP CC(C)C[C@H](CNC(=O)Cn1cc[nH+]c1C(C)C)[NH+](C)C ZINC000635555654 369216467 /nfs/dbraw/zinc/21/64/67/369216467.db2.gz FOJJLVQXSXXXLR-CQSZACIVSA-N 2 1 294.443 2.099 20 0 CEADMP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)CC(C)C ZINC000635556365 369218628 /nfs/dbraw/zinc/21/86/28/369218628.db2.gz NGFFMWZCGYOLGT-JKSUJKDBSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000349122585 369246162 /nfs/dbraw/zinc/24/61/62/369246162.db2.gz ZFGMEAUWPFTEGW-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000349122585 369246165 /nfs/dbraw/zinc/24/61/65/369246165.db2.gz ZFGMEAUWPFTEGW-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000349122585 369246172 /nfs/dbraw/zinc/24/61/72/369246172.db2.gz ZFGMEAUWPFTEGW-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635651154 369269100 /nfs/dbraw/zinc/26/91/00/369269100.db2.gz HNENRRCNXWYJFZ-INIZCTEOSA-N 2 1 289.423 2.479 20 0 CEADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635651154 369269108 /nfs/dbraw/zinc/26/91/08/369269108.db2.gz HNENRRCNXWYJFZ-INIZCTEOSA-N 2 1 289.423 2.479 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccn(C)n1 ZINC000349465286 369334283 /nfs/dbraw/zinc/33/42/83/369334283.db2.gz VMKOEPNCZIISOF-OCCSQVGLSA-N 2 1 275.400 2.302 20 0 CEADMP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ncc(Cl)s1 ZINC000349656846 369362230 /nfs/dbraw/zinc/36/22/30/369362230.db2.gz REUGFIZAYRDKGM-SNVBAGLBSA-N 2 1 291.848 2.243 20 0 CEADMP Cn1ccnc1[C@@H](C1CC1)[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000639077950 370951998 /nfs/dbraw/zinc/95/19/98/370951998.db2.gz SXDIYOQMHKITNX-XJKSGUPXSA-N 2 1 299.422 2.262 20 0 CEADMP Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000639077950 370952001 /nfs/dbraw/zinc/95/20/01/370952001.db2.gz SXDIYOQMHKITNX-XJKSGUPXSA-N 2 1 299.422 2.262 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000358223992 370957625 /nfs/dbraw/zinc/95/76/25/370957625.db2.gz BISFUFQHIMMZOA-HZPDHXFCSA-N 2 1 294.826 2.447 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000358223992 370957632 /nfs/dbraw/zinc/95/76/32/370957632.db2.gz BISFUFQHIMMZOA-HZPDHXFCSA-N 2 1 294.826 2.447 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)CCOCC2)[C@@H](C)C1 ZINC000358232340 370962255 /nfs/dbraw/zinc/96/22/55/370962255.db2.gz BRRFXABIADDKCU-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCn2ccnc2)C1 ZINC000246615007 370985311 /nfs/dbraw/zinc/98/53/11/370985311.db2.gz PXTJCYOUKZCSDN-IRXDYDNUSA-N 2 1 290.455 2.470 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCn2ccnc2)C1 ZINC000246615007 370985315 /nfs/dbraw/zinc/98/53/15/370985315.db2.gz PXTJCYOUKZCSDN-IRXDYDNUSA-N 2 1 290.455 2.470 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000246615007 370985320 /nfs/dbraw/zinc/98/53/20/370985320.db2.gz PXTJCYOUKZCSDN-IRXDYDNUSA-N 2 1 290.455 2.470 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000246615007 370985324 /nfs/dbraw/zinc/98/53/24/370985324.db2.gz PXTJCYOUKZCSDN-IRXDYDNUSA-N 2 1 290.455 2.470 20 0 CEADMP CC(C)OC1CC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000189517793 369529604 /nfs/dbraw/zinc/52/96/04/369529604.db2.gz CMYOKKBZQYEURG-DNOWBOINSA-N 2 1 252.402 2.016 20 0 CEADMP CC(C)C(=O)NC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351615624 369643138 /nfs/dbraw/zinc/64/31/38/369643138.db2.gz NTAOYOPNCFVBGT-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[C@@H](NCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000276457577 193339347 /nfs/dbraw/zinc/33/93/47/193339347.db2.gz KUHRWWKPIRBMQX-RDJZCZTQSA-N 2 1 275.440 2.191 20 0 CEADMP Cc1nn(C)c(C)c1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352526084 369773969 /nfs/dbraw/zinc/77/39/69/369773969.db2.gz KADBPCDNCNHYJW-UHFFFAOYSA-N 2 1 278.444 2.378 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000352608826 369804925 /nfs/dbraw/zinc/80/49/25/369804925.db2.gz PAXHYCXFRBYZJM-HYVNUMGLSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)CCO1 ZINC000352608826 369804928 /nfs/dbraw/zinc/80/49/28/369804928.db2.gz PAXHYCXFRBYZJM-HYVNUMGLSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCO1 ZINC000352608826 369804929 /nfs/dbraw/zinc/80/49/29/369804929.db2.gz PAXHYCXFRBYZJM-HYVNUMGLSA-N 2 1 280.456 2.465 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000352527090 369774179 /nfs/dbraw/zinc/77/41/79/369774179.db2.gz WECBLWIWPXCSEM-AWEZNQCLSA-N 2 1 258.369 2.266 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(CO)cc2)C[C@@H]1C ZINC000352540281 369778500 /nfs/dbraw/zinc/77/85/00/369778500.db2.gz JDDXXAYWTLFJJC-WMLDXEAASA-N 2 1 276.424 2.484 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(CO)cc2)C[C@@H]1C ZINC000352540281 369778505 /nfs/dbraw/zinc/77/85/05/369778505.db2.gz JDDXXAYWTLFJJC-WMLDXEAASA-N 2 1 276.424 2.484 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(CO)cc2)C[C@@H]1C ZINC000352540281 369778510 /nfs/dbraw/zinc/77/85/10/369778510.db2.gz JDDXXAYWTLFJJC-WMLDXEAASA-N 2 1 276.424 2.484 20 0 CEADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC000352540650 369778864 /nfs/dbraw/zinc/77/88/64/369778864.db2.gz NTXJNPNWEPPIOL-SFHVURJKSA-N 2 1 288.435 2.343 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC000352540650 369778866 /nfs/dbraw/zinc/77/88/66/369778866.db2.gz NTXJNPNWEPPIOL-SFHVURJKSA-N 2 1 288.435 2.343 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000352540650 369778869 /nfs/dbraw/zinc/77/88/69/369778869.db2.gz NTXJNPNWEPPIOL-SFHVURJKSA-N 2 1 288.435 2.343 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000352540650 369778872 /nfs/dbraw/zinc/77/88/72/369778872.db2.gz NTXJNPNWEPPIOL-SFHVURJKSA-N 2 1 288.435 2.343 20 0 CEADMP COCc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352541322 369779376 /nfs/dbraw/zinc/77/93/76/369779376.db2.gz WOQBTQZUVJFJDP-QGZVFWFLSA-N 2 1 274.408 2.409 20 0 CEADMP COCc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352541322 369779392 /nfs/dbraw/zinc/77/93/92/369779392.db2.gz WOQBTQZUVJFJDP-QGZVFWFLSA-N 2 1 274.408 2.409 20 0 CEADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC1CC1 ZINC000352713864 369850958 /nfs/dbraw/zinc/85/09/58/369850958.db2.gz JJDIJFYURBJODU-UHFFFAOYSA-N 2 1 287.451 2.146 20 0 CEADMP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000352727719 369857300 /nfs/dbraw/zinc/85/73/00/369857300.db2.gz SZEHVFZXRJRYEK-GDBMZVCRSA-N 2 1 296.480 2.315 20 0 CEADMP CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352749067 369866718 /nfs/dbraw/zinc/86/67/18/369866718.db2.gz LHTHDIVDTBOJMX-BXUZGUMPSA-N 2 1 285.457 2.091 20 0 CEADMP C[C@@H]1CCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352756438 369870035 /nfs/dbraw/zinc/87/00/35/369870035.db2.gz QRDADNZIRIJVFC-ZYHUDNBSSA-N 2 1 253.415 2.483 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCSC2)s1 ZINC000352760529 369871241 /nfs/dbraw/zinc/87/12/41/369871241.db2.gz PWOBEYPBCWFCOV-JTQLQIEISA-N 2 1 271.455 2.190 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(C3CC3)CC2)s1 ZINC000352760494 369871531 /nfs/dbraw/zinc/87/15/31/369871531.db2.gz PNQBPTAUDSKRDM-UHFFFAOYSA-N 2 1 265.426 2.485 20 0 CEADMP COC[C@@H](C)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918903 369872119 /nfs/dbraw/zinc/87/21/19/369872119.db2.gz IGJANPYEOWQLNG-DOTOQJQBSA-N 2 1 276.424 2.381 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(CC)nc2)C1 ZINC000352780173 369876423 /nfs/dbraw/zinc/87/64/23/369876423.db2.gz OACFIHYKZMWMSO-HNNXBMFYSA-N 2 1 261.413 2.466 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(CC)nc2)C1 ZINC000352780173 369876431 /nfs/dbraw/zinc/87/64/31/369876431.db2.gz OACFIHYKZMWMSO-HNNXBMFYSA-N 2 1 261.413 2.466 20 0 CEADMP Cc1cc(C)n(CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)n1 ZINC000352926180 369951066 /nfs/dbraw/zinc/95/10/66/369951066.db2.gz UFKPOVBEPSOTBO-XYPWUTKMSA-N 2 1 276.428 2.057 20 0 CEADMP Cc1cc(C)n(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000352926180 369951071 /nfs/dbraw/zinc/95/10/71/369951071.db2.gz UFKPOVBEPSOTBO-XYPWUTKMSA-N 2 1 276.428 2.057 20 0 CEADMP Cc1cc(C)n(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000352926180 369951076 /nfs/dbraw/zinc/95/10/76/369951076.db2.gz UFKPOVBEPSOTBO-XYPWUTKMSA-N 2 1 276.428 2.057 20 0 CEADMP C[C@H]1C[C@@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000353152650 370042272 /nfs/dbraw/zinc/04/22/72/370042272.db2.gz LVUZIQZDUSJLOR-STQMWFEESA-N 2 1 263.385 2.052 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000637809200 370080915 /nfs/dbraw/zinc/08/09/15/370080915.db2.gz TUJSVHFFIJIDCZ-UHFFFAOYSA-N 2 1 286.379 2.365 20 0 CEADMP C[N@@H+](CC(=O)Nc1cccc2c1CC[NH2+]C2)CC(C)(C)C ZINC000637839780 370107847 /nfs/dbraw/zinc/10/78/47/370107847.db2.gz MXYISOLOJVKBHD-UHFFFAOYSA-N 2 1 289.423 2.249 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+](C)CC1 ZINC000353649736 370121079 /nfs/dbraw/zinc/12/10/79/370121079.db2.gz OGUKTWAQNCBKSQ-HUUCEWRRSA-N 3 1 297.512 2.030 20 0 CEADMP CC[C@@H](C)[C@@H](C[N@H+](C)C1CC[NH+](CC)CC1)OC ZINC000637887503 370147914 /nfs/dbraw/zinc/14/79/14/370147914.db2.gz TZCHJIZMZRINMA-UKRRQHHQSA-N 2 1 256.434 2.464 20 0 CEADMP CC[C@@H](C)[C@@H](C[N@@H+](C)C1CC[NH+](CC)CC1)OC ZINC000637887503 370147917 /nfs/dbraw/zinc/14/79/17/370147917.db2.gz TZCHJIZMZRINMA-UKRRQHHQSA-N 2 1 256.434 2.464 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000353975473 370160005 /nfs/dbraw/zinc/16/00/05/370160005.db2.gz UZECOZIWDBDEGX-CAOSSQGBSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000353975473 370160007 /nfs/dbraw/zinc/16/00/07/370160007.db2.gz UZECOZIWDBDEGX-CAOSSQGBSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000353975473 370160012 /nfs/dbraw/zinc/16/00/12/370160012.db2.gz UZECOZIWDBDEGX-CAOSSQGBSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000353988390 370165825 /nfs/dbraw/zinc/16/58/25/370165825.db2.gz VIUMSCBLBYLEKZ-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000353988390 370165828 /nfs/dbraw/zinc/16/58/28/370165828.db2.gz VIUMSCBLBYLEKZ-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CN(C)c1nc(NCC2([NH+](C)C)CCCCCC2)cc[nH+]1 ZINC000354092078 370213671 /nfs/dbraw/zinc/21/36/71/370213671.db2.gz ODXHCPZEKRSNAI-UHFFFAOYSA-N 2 1 291.443 2.031 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000354096556 370215320 /nfs/dbraw/zinc/21/53/20/370215320.db2.gz KDWRVSLCMOJTAZ-MRXNPFEDSA-N 2 1 277.412 2.014 20 0 CEADMP FC(F)(F)Oc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000220222088 370230910 /nfs/dbraw/zinc/23/09/10/370230910.db2.gz WJWXRMZRFPIZHF-TXEJJXNPSA-N 2 1 286.297 2.236 20 0 CEADMP FC(F)(F)Oc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000220222088 370230917 /nfs/dbraw/zinc/23/09/17/370230917.db2.gz WJWXRMZRFPIZHF-TXEJJXNPSA-N 2 1 286.297 2.236 20 0 CEADMP CC(C)COCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000217936751 370203041 /nfs/dbraw/zinc/20/30/41/370203041.db2.gz UZNQYTDJBTZHFO-RRFJBIMHSA-N 2 1 256.434 2.367 20 0 CEADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)sn1 ZINC000638176122 370357027 /nfs/dbraw/zinc/35/70/27/370357027.db2.gz CDRPMHXNRMRUHR-JSGCOSHPSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)sn1 ZINC000638176122 370357032 /nfs/dbraw/zinc/35/70/32/370357032.db2.gz CDRPMHXNRMRUHR-JSGCOSHPSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)sn1 ZINC000638176122 370357038 /nfs/dbraw/zinc/35/70/38/370357038.db2.gz CDRPMHXNRMRUHR-JSGCOSHPSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)sn1 ZINC000638176122 370357046 /nfs/dbraw/zinc/35/70/46/370357046.db2.gz CDRPMHXNRMRUHR-JSGCOSHPSA-N 2 1 265.426 2.368 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccns3)CC[C@H]21 ZINC000638179208 370360230 /nfs/dbraw/zinc/36/02/30/370360230.db2.gz QGQKQBKRGMOXGE-DGCLKSJQSA-N 2 1 251.399 2.059 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C)ns2)C1 ZINC000638134694 370329839 /nfs/dbraw/zinc/32/98/39/370329839.db2.gz QDEOHDBQKRPNAF-CQSZACIVSA-N 2 1 297.468 2.384 20 0 CEADMP C[NH2+]Cc1ccc(NC(=O)Cn2cc[nH+]c2C(C)C)cc1 ZINC000638257635 370405800 /nfs/dbraw/zinc/40/58/00/370405800.db2.gz YWGOEEJZHBMMRH-UHFFFAOYSA-N 2 1 286.379 2.365 20 0 CEADMP CC(C)Cc1ccc(C[NH2+]C[C@@](C)(O)CN(C)C)cc1 ZINC000228722764 370412163 /nfs/dbraw/zinc/41/21/63/370412163.db2.gz ZTNCOSNSSQRTDL-QGZVFWFLSA-N 2 1 278.440 2.287 20 0 CEADMP CC(C)Cc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000228722764 370412169 /nfs/dbraw/zinc/41/21/69/370412169.db2.gz ZTNCOSNSSQRTDL-QGZVFWFLSA-N 2 1 278.440 2.287 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC(n2cccn2)C1 ZINC000638334633 370452121 /nfs/dbraw/zinc/45/21/21/370452121.db2.gz CCXHSSSPLBSXCD-LRVUVFPRSA-N 2 1 273.384 2.017 20 0 CEADMP CC[C@H](C[NH2+][C@H](C)Cc1ccnc(OC)c1)[NH+]1CCCC1 ZINC000638354839 370463916 /nfs/dbraw/zinc/46/39/16/370463916.db2.gz VTWDLRREUXLVJT-GDBMZVCRSA-N 2 1 291.439 2.485 20 0 CEADMP CO[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000638358495 370467826 /nfs/dbraw/zinc/46/78/26/370467826.db2.gz CLZHGSUGMYOACL-WMZOPIPTSA-N 2 1 288.435 2.318 20 0 CEADMP C[C@H](C[NH2+]C1CC(n2cccn2)C1)[N@@H+]1CCCC[C@@H]1C ZINC000638360715 370470316 /nfs/dbraw/zinc/47/03/16/370470316.db2.gz KTMHRPNTTOOCBJ-QRNKSROTSA-N 2 1 276.428 2.439 20 0 CEADMP C[C@H](C[NH2+]C1CC(n2cccn2)C1)[N@H+]1CCCC[C@@H]1C ZINC000638360715 370470320 /nfs/dbraw/zinc/47/03/20/370470320.db2.gz KTMHRPNTTOOCBJ-QRNKSROTSA-N 2 1 276.428 2.439 20 0 CEADMP C[C@@H](C[NH2+]CCC[C@@H]1CCO1)[N@@H+]1CCCC[C@H]1C ZINC000638362020 370471179 /nfs/dbraw/zinc/47/11/79/370471179.db2.gz XOJDNQJSOLQQET-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H](C[NH2+]CCC[C@@H]1CCO1)[N@H+]1CCCC[C@H]1C ZINC000638362020 370471183 /nfs/dbraw/zinc/47/11/83/370471183.db2.gz XOJDNQJSOLQQET-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP COc1cc(C[C@H](C)[NH2+]CC2([NH+](C)C)CCCC2)ccn1 ZINC000638308247 370437031 /nfs/dbraw/zinc/43/70/31/370437031.db2.gz UOQRTLSAQPMGSO-AWEZNQCLSA-N 2 1 291.439 2.485 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])CC[N@H+]1C ZINC000638423438 370520053 /nfs/dbraw/zinc/52/00/53/370520053.db2.gz VAUMEQDOZICPQL-QKPAOTATSA-N 2 1 295.471 2.083 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000638464209 370550649 /nfs/dbraw/zinc/55/06/49/370550649.db2.gz YVXBSNLMPJTXFR-MRXNPFEDSA-N 2 1 284.407 2.308 20 0 CEADMP CCOC1CC(C[NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000638544291 370601364 /nfs/dbraw/zinc/60/13/64/370601364.db2.gz HUGXLLRYNJVCTA-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP CCOC1CC(C[NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000638544291 370601365 /nfs/dbraw/zinc/60/13/65/370601365.db2.gz HUGXLLRYNJVCTA-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)c2C1 ZINC000236812446 370633102 /nfs/dbraw/zinc/63/31/02/370633102.db2.gz QQSRJDVAFGNRHY-GXTWGEPZSA-N 2 1 287.407 2.478 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)c2C1 ZINC000236812446 370633105 /nfs/dbraw/zinc/63/31/05/370633105.db2.gz QQSRJDVAFGNRHY-GXTWGEPZSA-N 2 1 287.407 2.478 20 0 CEADMP C[C@H](CC(=O)NCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000246731659 371001538 /nfs/dbraw/zinc/00/15/38/371001538.db2.gz YJJZFSIKSVPLPR-PMPSAXMXSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1cccc(NCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000358391373 371046692 /nfs/dbraw/zinc/04/66/92/371046692.db2.gz YEKKDQWVJIGKMS-CABCVRRESA-N 2 1 274.412 2.018 20 0 CEADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC000247011170 371047292 /nfs/dbraw/zinc/04/72/92/371047292.db2.gz MFEPQQFPBQHDDY-UKRRQHHQSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(F)c1N ZINC000639175547 371049497 /nfs/dbraw/zinc/04/94/97/371049497.db2.gz QXILZTVUSFJXFU-UHFFFAOYSA-N 2 1 276.359 2.435 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(F)c1N ZINC000639175547 371049501 /nfs/dbraw/zinc/04/95/01/371049501.db2.gz QXILZTVUSFJXFU-UHFFFAOYSA-N 2 1 276.359 2.435 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H]2CCCC[NH+]2CC(C)C)C1 ZINC000358340912 371022424 /nfs/dbraw/zinc/02/24/24/371022424.db2.gz MYGASOZLDIMOMH-YESZJQIVSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H]2CCCC[NH+]2CC(C)C)C1 ZINC000358340912 371022428 /nfs/dbraw/zinc/02/24/28/371022428.db2.gz MYGASOZLDIMOMH-YESZJQIVSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000358340912 371022436 /nfs/dbraw/zinc/02/24/36/371022436.db2.gz MYGASOZLDIMOMH-YESZJQIVSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000358340912 371022439 /nfs/dbraw/zinc/02/24/39/371022439.db2.gz MYGASOZLDIMOMH-YESZJQIVSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246871740 371024616 /nfs/dbraw/zinc/02/46/16/371024616.db2.gz DLZIAVFBTHKXNB-QEOTZNIISA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246871740 371024627 /nfs/dbraw/zinc/02/46/27/371024627.db2.gz DLZIAVFBTHKXNB-QEOTZNIISA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246871740 371024631 /nfs/dbraw/zinc/02/46/31/371024631.db2.gz DLZIAVFBTHKXNB-QEOTZNIISA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000639169866 371042475 /nfs/dbraw/zinc/04/24/75/371042475.db2.gz LWLOACKXLGTVDW-RRFJBIMHSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(C)n1 ZINC000639170050 371042941 /nfs/dbraw/zinc/04/29/41/371042941.db2.gz OWYCANACCPIROR-IUODEOHRSA-N 2 1 276.428 2.474 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(C)n1 ZINC000639170050 371042946 /nfs/dbraw/zinc/04/29/46/371042946.db2.gz OWYCANACCPIROR-IUODEOHRSA-N 2 1 276.428 2.474 20 0 CEADMP CO[C@H](CC(C)C)C[N@@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000639180701 371060351 /nfs/dbraw/zinc/06/03/51/371060351.db2.gz XJPCFEDWDJRVNG-RBSFLKMASA-N 2 1 256.434 2.320 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000639180701 371060353 /nfs/dbraw/zinc/06/03/53/371060353.db2.gz XJPCFEDWDJRVNG-RBSFLKMASA-N 2 1 256.434 2.320 20 0 CEADMP CO[C@H](CC(C)C)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000639180701 371060357 /nfs/dbraw/zinc/06/03/57/371060357.db2.gz XJPCFEDWDJRVNG-RBSFLKMASA-N 2 1 256.434 2.320 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000639180701 371060360 /nfs/dbraw/zinc/06/03/60/371060360.db2.gz XJPCFEDWDJRVNG-RBSFLKMASA-N 2 1 256.434 2.320 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000639180701 371060366 /nfs/dbraw/zinc/06/03/66/371060366.db2.gz XJPCFEDWDJRVNG-RBSFLKMASA-N 2 1 256.434 2.320 20 0 CEADMP COc1cncc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1C ZINC000639180824 371060491 /nfs/dbraw/zinc/06/04/91/371060491.db2.gz ZDYFJWDERPFUKC-HOCLYGCPSA-N 2 1 289.423 2.315 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000247080219 371061721 /nfs/dbraw/zinc/06/17/21/371061721.db2.gz OUUSTGOBRKYLMN-FICVDOATSA-N 2 1 256.434 2.369 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639189799 371070374 /nfs/dbraw/zinc/07/03/74/371070374.db2.gz QZAZMPPUYLKSMC-ZNMIVQPWSA-N 2 1 283.460 2.144 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639189799 371070377 /nfs/dbraw/zinc/07/03/77/371070377.db2.gz QZAZMPPUYLKSMC-ZNMIVQPWSA-N 2 1 283.460 2.144 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000247145375 371071330 /nfs/dbraw/zinc/07/13/30/371071330.db2.gz WNCAKARJDHCAQR-HOCLYGCPSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([NH2+]CCC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000247145375 371071333 /nfs/dbraw/zinc/07/13/33/371071333.db2.gz WNCAKARJDHCAQR-HOCLYGCPSA-N 2 1 267.461 2.038 20 0 CEADMP CCOC1CC(C[NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000639241652 371137447 /nfs/dbraw/zinc/13/74/47/371137447.db2.gz HGSHGTORYMOCOV-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP CCOC1CC(C[NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000639241652 371137451 /nfs/dbraw/zinc/13/74/51/371137451.db2.gz HGSHGTORYMOCOV-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)sn1 ZINC000639243814 371139737 /nfs/dbraw/zinc/13/97/37/371139737.db2.gz CLXDNZUDEXQBTK-UHFFFAOYSA-N 2 1 253.415 2.416 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC[N@@H+]1C ZINC000639232079 371125142 /nfs/dbraw/zinc/12/51/42/371125142.db2.gz ABENXUNNTZMWPE-DZUCGIPZSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC[N@H+]1C ZINC000639232079 371125149 /nfs/dbraw/zinc/12/51/49/371125149.db2.gz ABENXUNNTZMWPE-DZUCGIPZSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)CC[N@@H+]1C ZINC000639247904 371145143 /nfs/dbraw/zinc/14/51/43/371145143.db2.gz AGLCIVAESYKCES-KCYZZUKISA-N 2 1 289.423 2.374 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)CC[N@H+]1C ZINC000639247904 371145148 /nfs/dbraw/zinc/14/51/48/371145148.db2.gz AGLCIVAESYKCES-KCYZZUKISA-N 2 1 289.423 2.374 20 0 CEADMP CC[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1)[NH+](C)C ZINC000247945210 371148166 /nfs/dbraw/zinc/14/81/66/371148166.db2.gz HHALLJQRKAAPDU-CABCVRRESA-N 2 1 297.487 2.343 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3ccncc3)CC[C@H]21 ZINC000248164690 371167168 /nfs/dbraw/zinc/16/71/68/371167168.db2.gz SSOOVOQUKNPIAX-JKSUJKDBSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3ccncc3)CC[C@H]21 ZINC000248164690 371167172 /nfs/dbraw/zinc/16/71/72/371167172.db2.gz SSOOVOQUKNPIAX-JKSUJKDBSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccncc3)CC[C@H]21 ZINC000248164690 371167179 /nfs/dbraw/zinc/16/71/79/371167179.db2.gz SSOOVOQUKNPIAX-JKSUJKDBSA-N 2 1 259.397 2.040 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCCC1 ZINC000248182172 371168959 /nfs/dbraw/zinc/16/89/59/371168959.db2.gz WQCFHBCZVXHHJK-HOCLYGCPSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](C)[C@H]3C)COC2)[C@H]1C ZINC000248407738 371188786 /nfs/dbraw/zinc/18/87/86/371188786.db2.gz BTZXGWIHWKFMPU-SYMSYNOKSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](C)[C@H]3C)COC2)[C@H]1C ZINC000248407738 371188789 /nfs/dbraw/zinc/18/87/89/371188789.db2.gz BTZXGWIHWKFMPU-SYMSYNOKSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](C)[C@H]3C)COC2)[C@H]1C ZINC000248407738 371188793 /nfs/dbraw/zinc/18/87/93/371188793.db2.gz BTZXGWIHWKFMPU-SYMSYNOKSA-N 2 1 280.456 2.464 20 0 CEADMP CC[C@H](C(N)=O)[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000358740840 371200015 /nfs/dbraw/zinc/20/00/15/371200015.db2.gz WNRMKJMDLNVBDW-MRXNPFEDSA-N 2 1 297.487 2.330 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H](C)c1ccc(Cl)cc1 ZINC000358762606 371209073 /nfs/dbraw/zinc/20/90/73/371209073.db2.gz YOWVSKIYUQBYIE-XUJVJEKNSA-N 2 1 284.831 2.344 20 0 CEADMP COCC1([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC000639336688 371247216 /nfs/dbraw/zinc/24/72/16/371247216.db2.gz FJDZZYKTWWGKHX-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP COCC1([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000639336688 371247220 /nfs/dbraw/zinc/24/72/20/371247220.db2.gz FJDZZYKTWWGKHX-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC000639348348 371261536 /nfs/dbraw/zinc/26/15/36/371261536.db2.gz WKOZGIKGZWWQBF-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP Cn1cc(CCC[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000639339192 371250770 /nfs/dbraw/zinc/25/07/70/371250770.db2.gz ZQFURBKVBVVFDV-INIZCTEOSA-N 2 1 290.455 2.064 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)[C@H](C)[NH3+])c2C1 ZINC000249030645 371283624 /nfs/dbraw/zinc/28/36/24/371283624.db2.gz LYJQYRNLXWDJCU-NEPJUHHUSA-N 2 1 275.396 2.334 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)[C@H](C)[NH3+])c2C1 ZINC000249030645 371283629 /nfs/dbraw/zinc/28/36/29/371283629.db2.gz LYJQYRNLXWDJCU-NEPJUHHUSA-N 2 1 275.396 2.334 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000248959725 371275175 /nfs/dbraw/zinc/27/51/75/371275175.db2.gz PKDZEJDMFUZVEI-OCCSQVGLSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000248959725 371275180 /nfs/dbraw/zinc/27/51/80/371275180.db2.gz PKDZEJDMFUZVEI-OCCSQVGLSA-N 2 1 251.374 2.081 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000639494623 371360686 /nfs/dbraw/zinc/36/06/86/371360686.db2.gz BVKWTLKTXPYVLN-XHSDSOJGSA-N 2 1 266.429 2.362 20 0 CEADMP CC1CC[NH+](CCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000251591971 371407831 /nfs/dbraw/zinc/40/78/31/371407831.db2.gz FSPAQPLLFYQYCY-SJORKVTESA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1OCC[C@H]1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000639506943 371369275 /nfs/dbraw/zinc/36/92/75/371369275.db2.gz DVZIQWDPPLWABF-BPUTZDHNSA-N 2 1 266.429 2.075 20 0 CEADMP C[C@@H]1OCC[C@H]1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000639506943 371369281 /nfs/dbraw/zinc/36/92/81/371369281.db2.gz DVZIQWDPPLWABF-BPUTZDHNSA-N 2 1 266.429 2.075 20 0 CEADMP CCCC[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000249902748 371369552 /nfs/dbraw/zinc/36/95/52/371369552.db2.gz XDEBPAXAMKITRE-IRXDYDNUSA-N 2 1 279.472 2.467 20 0 CEADMP CCCC[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000249902758 371369611 /nfs/dbraw/zinc/36/96/11/371369611.db2.gz XDEBPAXAMKITRE-SJORKVTESA-N 2 1 279.472 2.467 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCO[C@@H]2C)C[C@H]1C ZINC000639509971 371372244 /nfs/dbraw/zinc/37/22/44/371372244.db2.gz RSLCURUKBLTRAN-KBXIAJHMSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCO[C@@H]2C)C[C@H]1C ZINC000639509971 371372251 /nfs/dbraw/zinc/37/22/51/371372251.db2.gz RSLCURUKBLTRAN-KBXIAJHMSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCO[C@@H]2C)C[C@H]1C ZINC000639509971 371372257 /nfs/dbraw/zinc/37/22/57/371372257.db2.gz RSLCURUKBLTRAN-KBXIAJHMSA-N 2 1 254.418 2.216 20 0 CEADMP CCOC[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359213880 371378282 /nfs/dbraw/zinc/37/82/82/371378282.db2.gz GYCZWPFAGUXBCK-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252856361 371484063 /nfs/dbraw/zinc/48/40/63/371484063.db2.gz KTFNSVJDAUYTRN-SOUVJXGZSA-N 2 1 282.428 2.169 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000359374644 371451551 /nfs/dbraw/zinc/45/15/51/371451551.db2.gz CGNMZZLUTCIDCG-SWLSCSKDSA-N 2 1 250.361 2.298 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000639644113 371462465 /nfs/dbraw/zinc/46/24/65/371462465.db2.gz MCZUYOQZLGSEQR-LSDHHAIUSA-N 2 1 280.412 2.458 20 0 CEADMP C[N@@H+](C[C@@H]1CC(C)(C)CO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639644093 371462720 /nfs/dbraw/zinc/46/27/20/371462720.db2.gz SVUAUSVMLAVQSG-IXXDHKBRSA-N 2 1 266.429 2.359 20 0 CEADMP Fc1ccc2c(c1)CC[C@@H]2NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252715981 371472477 /nfs/dbraw/zinc/47/24/77/371472477.db2.gz XHMGXPUTCWVTFM-UXLLHSPISA-N 2 1 290.382 2.266 20 0 CEADMP Fc1ccc2c(c1)CC[C@@H]2NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252715981 371472480 /nfs/dbraw/zinc/47/24/80/371472480.db2.gz XHMGXPUTCWVTFM-UXLLHSPISA-N 2 1 290.382 2.266 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CN(C)Cc3ccccc32)CC[N@H+]1C ZINC000360062718 371501046 /nfs/dbraw/zinc/50/10/46/371501046.db2.gz WOQYFAYXHCEQND-UNEWFSDZSA-N 2 1 273.424 2.245 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1C ZINC000360062718 371501049 /nfs/dbraw/zinc/50/10/49/371501049.db2.gz WOQYFAYXHCEQND-UNEWFSDZSA-N 2 1 273.424 2.245 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1C ZINC000360062718 371501051 /nfs/dbraw/zinc/50/10/51/371501051.db2.gz WOQYFAYXHCEQND-UNEWFSDZSA-N 2 1 273.424 2.245 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1C ZINC000360062718 371501054 /nfs/dbraw/zinc/50/10/54/371501054.db2.gz WOQYFAYXHCEQND-UNEWFSDZSA-N 2 1 273.424 2.245 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000253198209 371501814 /nfs/dbraw/zinc/50/18/14/371501814.db2.gz VLZPUJZZWOBAOQ-IUODEOHRSA-N 2 1 260.381 2.038 20 0 CEADMP C[C@@H]1CC[N@@H+](CCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000253246674 371504543 /nfs/dbraw/zinc/50/45/43/371504543.db2.gz SDABEJZNNQVNPE-HUUCEWRRSA-N 2 1 262.397 2.372 20 0 CEADMP C[N@@H+](CCCc1ccsc1)C1CCN(CCO)CC1 ZINC000360909577 371540375 /nfs/dbraw/zinc/54/03/75/371540375.db2.gz IUNFNLUYKWSNSO-UHFFFAOYSA-N 2 1 282.453 2.069 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3nccs3)C2)CC1 ZINC000639756778 371546076 /nfs/dbraw/zinc/54/60/76/371546076.db2.gz COSDDFCLYAEPKE-UHFFFAOYSA-N 2 1 251.399 2.061 20 0 CEADMP Cc1nc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639758862 371548709 /nfs/dbraw/zinc/54/87/09/371548709.db2.gz XLUYPICGVABRHX-UHFFFAOYSA-N 2 1 265.426 2.369 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCOc3ccccc3)C2)CC1 ZINC000639760139 371548907 /nfs/dbraw/zinc/54/89/07/371548907.db2.gz RGNBKXBUCVKBFY-UHFFFAOYSA-N 2 1 274.408 2.483 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000639764888 371552880 /nfs/dbraw/zinc/55/28/80/371552880.db2.gz XRYJOGDHDBOMRT-AWEZNQCLSA-N 2 1 290.398 2.200 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000360943213 371554564 /nfs/dbraw/zinc/55/45/64/371554564.db2.gz SEPJNQRLCQHDNN-CZUORRHYSA-N 2 1 289.423 2.300 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000360943213 371554571 /nfs/dbraw/zinc/55/45/71/371554571.db2.gz SEPJNQRLCQHDNN-CZUORRHYSA-N 2 1 289.423 2.300 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000639766312 371554541 /nfs/dbraw/zinc/55/45/41/371554541.db2.gz LTGYCZPQBKZKCX-JKSUJKDBSA-N 2 1 266.429 2.264 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000639767843 371554605 /nfs/dbraw/zinc/55/46/05/371554605.db2.gz UDZOOKPWIHMSLV-GOSISDBHSA-N 2 1 299.418 2.123 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000639767843 371554613 /nfs/dbraw/zinc/55/46/13/371554613.db2.gz UDZOOKPWIHMSLV-GOSISDBHSA-N 2 1 299.418 2.123 20 0 CEADMP CCOC(=O)CCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000360972501 371573312 /nfs/dbraw/zinc/57/33/12/371573312.db2.gz NGDGGCDXPMHILO-OWCLPIDISA-N 2 1 294.439 2.136 20 0 CEADMP CCOC(=O)CCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360972501 371573319 /nfs/dbraw/zinc/57/33/19/371573319.db2.gz NGDGGCDXPMHILO-OWCLPIDISA-N 2 1 294.439 2.136 20 0 CEADMP CCOC(=O)CCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360972501 371573325 /nfs/dbraw/zinc/57/33/25/371573325.db2.gz NGDGGCDXPMHILO-OWCLPIDISA-N 2 1 294.439 2.136 20 0 CEADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C1CC1 ZINC000361008574 371596162 /nfs/dbraw/zinc/59/61/62/371596162.db2.gz FXSUPCFXKYDNGR-XUWVNRHRSA-N 2 1 266.429 2.264 20 0 CEADMP c1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc2c1CCC2 ZINC000261619143 371680989 /nfs/dbraw/zinc/68/09/89/371680989.db2.gz ULFNHCVVEOZHDM-DLBZAZTESA-N 2 1 256.393 2.359 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000261601879 371672784 /nfs/dbraw/zinc/67/27/84/371672784.db2.gz BXMZDBFVZHXKIP-QGZVFWFLSA-N 2 1 290.407 2.198 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000261601879 371672787 /nfs/dbraw/zinc/67/27/87/371672787.db2.gz BXMZDBFVZHXKIP-QGZVFWFLSA-N 2 1 290.407 2.198 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000353311926 220021375 /nfs/dbraw/zinc/02/13/75/220021375.db2.gz HULYMXXJJDNQGJ-ARFHVFGLSA-N 2 1 277.412 2.376 20 0 CEADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261607373 371675526 /nfs/dbraw/zinc/67/55/26/371675526.db2.gz DERRJFWKBMGPSS-JSGCOSHPSA-N 2 1 295.377 2.005 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000261545742 371642044 /nfs/dbraw/zinc/64/20/44/371642044.db2.gz KHQRDQJOLGKLLW-MANSERQUSA-N 2 1 299.462 2.239 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000261559872 371646849 /nfs/dbraw/zinc/64/68/49/371646849.db2.gz XSWLNVIPJJNORA-DOMZBBRYSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000261559872 371646855 /nfs/dbraw/zinc/64/68/55/371646855.db2.gz XSWLNVIPJJNORA-DOMZBBRYSA-N 2 1 255.365 2.404 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000261559115 371647884 /nfs/dbraw/zinc/64/78/84/371647884.db2.gz NWAFMGFUJKCBMB-ZDUSSCGKSA-N 2 1 255.365 2.276 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000261559115 371647892 /nfs/dbraw/zinc/64/78/92/371647892.db2.gz NWAFMGFUJKCBMB-ZDUSSCGKSA-N 2 1 255.365 2.276 20 0 CEADMP C[C@@H]1C[C@@H](N(C)Cc2cn(C)nc2C(F)F)CC[N@H+]1C ZINC000361186994 371704362 /nfs/dbraw/zinc/70/43/62/371704362.db2.gz NQDGCKPZIHVKQK-PWSUYJOCSA-N 2 1 286.370 2.272 20 0 CEADMP CC(C)[C@@H](c1nc(C2([NH3+])CCCC2)no1)[NH+](C)C ZINC000261705966 371707116 /nfs/dbraw/zinc/70/71/16/371707116.db2.gz ILKXISLURNVWNS-JTQLQIEISA-N 2 1 252.362 2.056 20 0 CEADMP C[C@H](c1cccc(Cl)c1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261721594 371710481 /nfs/dbraw/zinc/71/04/81/371710481.db2.gz KHVJXGJPFHDIBV-CJNGLKHVSA-N 2 1 293.842 2.381 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](CCc2ccnn2C)CC1 ZINC000639986550 371715715 /nfs/dbraw/zinc/71/57/15/371715715.db2.gz ONAHMYNXJKHRGX-UHFFFAOYSA-N 2 1 290.455 2.303 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](CC[C@@H](C)O)CC1 ZINC000639987132 371716513 /nfs/dbraw/zinc/71/65/13/371716513.db2.gz XDMOZPODBLWVHV-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP COc1cc2c(c(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)c1)O[C@@H](C)C2 ZINC000261743241 371716497 /nfs/dbraw/zinc/71/64/97/371716497.db2.gz KQCOIXQZVADQDC-SJCJKPOMSA-N 2 1 290.407 2.189 20 0 CEADMP COc1cc2c(c(C[N@H+]3CC[C@@](C)(C[NH3+])C3)c1)O[C@@H](C)C2 ZINC000261743241 371716502 /nfs/dbraw/zinc/71/65/02/371716502.db2.gz KQCOIXQZVADQDC-SJCJKPOMSA-N 2 1 290.407 2.189 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261776375 371727656 /nfs/dbraw/zinc/72/76/56/371727656.db2.gz MSVAFHFQHDFEJR-INIZCTEOSA-N 2 1 270.380 2.109 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261776375 371727668 /nfs/dbraw/zinc/72/76/68/371727668.db2.gz MSVAFHFQHDFEJR-INIZCTEOSA-N 2 1 270.380 2.109 20 0 CEADMP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261780701 371730915 /nfs/dbraw/zinc/73/09/15/371730915.db2.gz WUZYVNMKGOHTCO-GXTWGEPZSA-N 2 1 295.377 2.005 20 0 CEADMP CC(C)([NH3+])C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000261795854 371734369 /nfs/dbraw/zinc/73/43/69/371734369.db2.gz GMWZIKGTXPSRAG-ZDUSSCGKSA-N 2 1 275.396 2.074 20 0 CEADMP CC(C)([NH3+])C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000261795854 371734371 /nfs/dbraw/zinc/73/43/71/371734371.db2.gz GMWZIKGTXPSRAG-ZDUSSCGKSA-N 2 1 275.396 2.074 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c(OC)c1 ZINC000261669562 371697929 /nfs/dbraw/zinc/69/79/29/371697929.db2.gz FUWXIPDCINCZAE-TYNCELHUSA-N 2 1 278.396 2.352 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000361174904 371698825 /nfs/dbraw/zinc/69/88/25/371698825.db2.gz ISYNXDPYIYOBFL-CYBMUJFWSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@]1(O)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000640034744 371757659 /nfs/dbraw/zinc/75/76/59/371757659.db2.gz BVAWRLBAGZSQIO-HNNXBMFYSA-N 2 1 254.418 2.099 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CCC(C)C)[C@@H](C)C1 ZINC000361321671 371780575 /nfs/dbraw/zinc/78/05/75/371780575.db2.gz PLCFCBQXXKTKDP-XHSDSOJGSA-N 2 1 270.461 2.446 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000361325494 371781807 /nfs/dbraw/zinc/78/18/07/371781807.db2.gz NJEDTAFAWDEHEP-CVEARBPZSA-N 2 1 265.445 2.031 20 0 CEADMP CN(C)c1cccc(C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)c1 ZINC000261968559 371786314 /nfs/dbraw/zinc/78/63/14/371786314.db2.gz HYNVTAYJFGVFKI-MRXNPFEDSA-N 2 1 261.413 2.184 20 0 CEADMP C[C@H]1COc2ccccc2C[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262041036 371808712 /nfs/dbraw/zinc/80/87/12/371808712.db2.gz PCQKCBYJNPNVAR-BBRMVZONSA-N 2 1 260.381 2.269 20 0 CEADMP C[C@H]1COc2ccccc2C[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262041036 371808718 /nfs/dbraw/zinc/80/87/18/371808718.db2.gz PCQKCBYJNPNVAR-BBRMVZONSA-N 2 1 260.381 2.269 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000262068716 371818621 /nfs/dbraw/zinc/81/86/21/371818621.db2.gz BTHCFMYVEZXQNX-LSDHHAIUSA-N 2 1 262.397 2.351 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000262090512 371821891 /nfs/dbraw/zinc/82/18/91/371821891.db2.gz USUMSIZICXEYSA-MRXNPFEDSA-N 2 1 286.379 2.164 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000262090512 371821893 /nfs/dbraw/zinc/82/18/93/371821893.db2.gz USUMSIZICXEYSA-MRXNPFEDSA-N 2 1 286.379 2.164 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000361396768 371826716 /nfs/dbraw/zinc/82/67/16/371826716.db2.gz HYGVJAHHLHAZQE-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1C[C@@H](C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000262318748 371851151 /nfs/dbraw/zinc/85/11/51/371851151.db2.gz CJGJKICDLRAEIY-JYJNAYRXSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000262915897 371922698 /nfs/dbraw/zinc/92/26/98/371922698.db2.gz GGPBQWUPDZVFCP-PNBKFKSVSA-N 2 1 295.471 2.131 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CCCO1 ZINC000640531442 372022337 /nfs/dbraw/zinc/02/23/37/372022337.db2.gz JBQGHMSHUZXQBA-HNNXBMFYSA-N 2 1 254.418 2.363 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCOCC(F)F ZINC000640535074 372024714 /nfs/dbraw/zinc/02/47/14/372024714.db2.gz ZWQHBGAREBFFSD-UHFFFAOYSA-N 2 1 278.387 2.466 20 0 CEADMP CCC[N@H+](CC=C(C)C)CCN1CC[NH+](CC)CC1 ZINC000344163414 217080934 /nfs/dbraw/zinc/08/09/34/217080934.db2.gz ZXIUEKYOTLFRQY-UHFFFAOYSA-N 2 1 267.461 2.302 20 0 CEADMP COc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1C ZINC000361885060 372114416 /nfs/dbraw/zinc/11/44/16/372114416.db2.gz HMAISXKMLOIZTC-GDBMZVCRSA-N 2 1 276.424 2.476 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000361807464 372078924 /nfs/dbraw/zinc/07/89/24/372078924.db2.gz YXQGVMYTZZXUAV-OLZOCXBDSA-N 2 1 270.417 2.181 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1Cn1cccn1 ZINC000361954868 372144296 /nfs/dbraw/zinc/14/42/96/372144296.db2.gz HWKGVFSLQLOKDB-CVEARBPZSA-N 2 1 276.428 2.222 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cncs1 ZINC000268851940 372255182 /nfs/dbraw/zinc/25/51/82/372255182.db2.gz KOWVSVIEOHNCFC-SNVBAGLBSA-N 2 1 250.371 2.389 20 0 CEADMP COc1ccnc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000362189005 372263403 /nfs/dbraw/zinc/26/34/03/372263403.db2.gz UJSMCXYFJRZRFK-JSGCOSHPSA-N 2 1 263.385 2.005 20 0 CEADMP C[C@@H](CO)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268875570 372267765 /nfs/dbraw/zinc/26/77/65/372267765.db2.gz WKBFWNTXGWIDDR-CQSZACIVSA-N 2 1 294.414 2.051 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2C)[C@H]1SC ZINC000362315451 372309779 /nfs/dbraw/zinc/30/97/79/372309779.db2.gz ABRWOHFKKUMWJW-RRFJBIMHSA-N 2 1 297.468 2.470 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000269030428 372317988 /nfs/dbraw/zinc/31/79/88/372317988.db2.gz RQZMYRDINCRDLQ-NQCMUKECSA-N 2 1 282.453 2.415 20 0 CEADMP CC[C@@H]1C[N@H+](CCNc2cc[nH+]c3ccccc23)CCO1 ZINC000362664105 372477466 /nfs/dbraw/zinc/47/74/66/372477466.db2.gz MDCIWUSPRSMNKC-CQSZACIVSA-N 2 1 285.391 2.179 20 0 CEADMP CC[C@@H]1C[N@@H+](CCNc2cc[nH+]c3ccccc23)CCO1 ZINC000362664105 372477470 /nfs/dbraw/zinc/47/74/70/372477470.db2.gz MDCIWUSPRSMNKC-CQSZACIVSA-N 2 1 285.391 2.179 20 0 CEADMP CC[C@H]1C[N@H+](CCNc2cc[nH+]c3ccc(C)cc23)CCO1 ZINC000362667734 372478990 /nfs/dbraw/zinc/47/89/90/372478990.db2.gz HEHNVJOZNXUHEI-HNNXBMFYSA-N 2 1 299.418 2.488 20 0 CEADMP CC[C@H]1C[N@@H+](CCNc2cc[nH+]c3ccc(C)cc23)CCO1 ZINC000362667734 372479001 /nfs/dbraw/zinc/47/90/01/372479001.db2.gz HEHNVJOZNXUHEI-HNNXBMFYSA-N 2 1 299.418 2.488 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362921268 372572813 /nfs/dbraw/zinc/57/28/13/372572813.db2.gz BODJLIJMSNOXGG-UHFFFAOYSA-N 2 1 279.472 2.326 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)OC ZINC000362977147 372602733 /nfs/dbraw/zinc/60/27/33/372602733.db2.gz PAWQDKGGXLURPN-WFASDCNBSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccncc2N)C1 ZINC000641708050 372643476 /nfs/dbraw/zinc/64/34/76/372643476.db2.gz VZTLILIQQUHGLO-CQSZACIVSA-N 2 1 276.428 2.266 20 0 CEADMP Cn1c(C[NH2+]CCC[NH+]2CCC2)cc2ccccc21 ZINC000641741961 372675348 /nfs/dbraw/zinc/67/53/48/372675348.db2.gz FWXOVPFEMHVDNB-UHFFFAOYSA-N 2 1 257.381 2.364 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000344513980 217216476 /nfs/dbraw/zinc/21/64/76/217216476.db2.gz BRMSPKAUMKJMMF-BPQIPLTHSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000344513980 217216478 /nfs/dbraw/zinc/21/64/78/217216478.db2.gz BRMSPKAUMKJMMF-BPQIPLTHSA-N 2 1 288.435 2.402 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000641770665 372713926 /nfs/dbraw/zinc/71/39/26/372713926.db2.gz YWNQLQCGIGQRKP-MRXNPFEDSA-N 2 1 289.423 2.350 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1c(C)cccc1C ZINC000641771424 372714034 /nfs/dbraw/zinc/71/40/34/372714034.db2.gz HXEHJPIKOQHOIJ-MRXNPFEDSA-N 2 1 278.440 2.486 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000641801908 372743598 /nfs/dbraw/zinc/74/35/98/372743598.db2.gz GPXGCCJMANCRPO-ZIAGYGMSSA-N 2 1 271.364 2.156 20 0 CEADMP CC1(C)c2ccccc2CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000641800889 372743705 /nfs/dbraw/zinc/74/37/05/372743705.db2.gz HZOABTCRSBYYIA-HNNXBMFYSA-N 2 1 286.419 2.301 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cn2)[C@H]2CCC[C@H]21 ZINC000353409271 220066521 /nfs/dbraw/zinc/06/65/21/220066521.db2.gz WHPWYCDBIBJTPD-QLFBSQMISA-N 2 1 263.360 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cn2)[C@H]2CCC[C@H]21 ZINC000353409271 220066523 /nfs/dbraw/zinc/06/65/23/220066523.db2.gz WHPWYCDBIBJTPD-QLFBSQMISA-N 2 1 263.360 2.183 20 0 CEADMP CSc1cccc(NC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641806886 372754053 /nfs/dbraw/zinc/75/40/53/372754053.db2.gz RXEOAQHWRXBTHS-STQMWFEESA-N 2 1 293.436 2.062 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1c(F)cccc1F ZINC000641808952 372757000 /nfs/dbraw/zinc/75/70/00/372757000.db2.gz VCWGSSPUTNQWAL-XXILOJSOSA-N 2 1 297.349 2.007 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)CC[C@@H]1[NH3+] ZINC000641797184 372736688 /nfs/dbraw/zinc/73/66/88/372736688.db2.gz XCBWZMWERAPREL-KOLCDFICSA-N 2 1 284.306 2.177 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)CC[C@@H]1[NH3+] ZINC000641797184 372736691 /nfs/dbraw/zinc/73/66/91/372736691.db2.gz XCBWZMWERAPREL-KOLCDFICSA-N 2 1 284.306 2.177 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000365066114 372801790 /nfs/dbraw/zinc/80/17/90/372801790.db2.gz GWTHTSYBULNZTR-BRWVUGGUSA-N 2 1 278.440 2.433 20 0 CEADMP c1n[nH]c2c1CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000333268010 205167767 /nfs/dbraw/zinc/16/77/67/205167767.db2.gz JXCJWVNQIXEWSO-ZJIFWQFVSA-N 2 1 288.439 2.167 20 0 CEADMP CSC1(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CCC1 ZINC000365611889 372903110 /nfs/dbraw/zinc/90/31/10/372903110.db2.gz JMHHYDMFCXHNBJ-QLFBSQMISA-N 2 1 298.496 2.456 20 0 CEADMP COc1ccccc1[C@@H]([NH3+])CNc1cc(NC2CC2)[nH+]cn1 ZINC000642991165 372905596 /nfs/dbraw/zinc/90/55/96/372905596.db2.gz MFLPQUSNUWYPQI-ZDUSSCGKSA-N 2 1 299.378 2.171 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(CC(F)F)CC1 ZINC000353487572 220111919 /nfs/dbraw/zinc/11/19/19/220111919.db2.gz MQVDPIHCYCHQRU-CYBMUJFWSA-N 2 1 291.430 2.426 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(CC(F)F)CC1 ZINC000353487572 220111921 /nfs/dbraw/zinc/11/19/21/220111921.db2.gz MQVDPIHCYCHQRU-CYBMUJFWSA-N 2 1 291.430 2.426 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCN(CC(F)F)CC1 ZINC000353487584 220112337 /nfs/dbraw/zinc/11/23/37/220112337.db2.gz MQVDPIHCYCHQRU-ZDUSSCGKSA-N 2 1 291.430 2.426 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCN(CC(F)F)CC1 ZINC000353487584 220112338 /nfs/dbraw/zinc/11/23/38/220112338.db2.gz MQVDPIHCYCHQRU-ZDUSSCGKSA-N 2 1 291.430 2.426 20 0 CEADMP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+]1CCCC[C@H]1C ZINC000353498359 220121433 /nfs/dbraw/zinc/12/14/33/220121433.db2.gz ZMZYNJOFQMGJLP-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000366414631 373040763 /nfs/dbraw/zinc/04/07/63/373040763.db2.gz OOWHMMOGJFIGOP-DOTOQJQBSA-N 2 1 299.418 2.145 20 0 CEADMP C[C@H]([NH2+]CC1(N)CCCCCC1)C1CC[NH+](C)CC1 ZINC000643498570 373157017 /nfs/dbraw/zinc/15/70/17/373157017.db2.gz CKVTZNHVSWUGJG-AWEZNQCLSA-N 2 1 267.461 2.358 20 0 CEADMP C[C@@H](CCc1cccc(F)c1)[NH2+]CC[NH2+]C1CC1 ZINC000643506214 373165121 /nfs/dbraw/zinc/16/51/21/373165121.db2.gz OSJFTIIOJOULKA-LBPRGKRZSA-N 2 1 250.361 2.488 20 0 CEADMP [NH3+]C[C@@H]([NH2+][C@H]1CCC12CCOCC2)C1CCCCC1 ZINC000643511474 373170709 /nfs/dbraw/zinc/17/07/09/373170709.db2.gz ZCKIEADEILZOMW-CABCVRRESA-N 2 1 266.429 2.443 20 0 CEADMP CSC1(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000368019173 373211929 /nfs/dbraw/zinc/21/19/29/373211929.db2.gz KZIXYXKOJNGNIJ-MGPQQGTHSA-N 2 1 284.469 2.066 20 0 CEADMP c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000643611337 373217931 /nfs/dbraw/zinc/21/79/31/373217931.db2.gz MSHNWFJZEOGXAB-INIZCTEOSA-N 2 1 260.381 2.030 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000643525979 373183125 /nfs/dbraw/zinc/18/31/25/373183125.db2.gz LHTCVERUZGWMBL-DTWKUNHWSA-N 2 1 257.175 2.447 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000353572527 220165523 /nfs/dbraw/zinc/16/55/23/220165523.db2.gz SIRUQDFIQUIBHE-AWEZNQCLSA-N 2 1 255.450 2.178 20 0 CEADMP COC[C@@H](C)[NH+]1CCCC2(CCC[N@H+]([C@H](C)COC)C2)C1 ZINC000368247459 373229442 /nfs/dbraw/zinc/22/94/42/373229442.db2.gz ZPWNDPSSXDYGFS-YNPPLXCJSA-N 2 1 298.471 2.234 20 0 CEADMP Cn1cncc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000369542045 373448749 /nfs/dbraw/zinc/44/87/49/373448749.db2.gz XSWUGJHROJMWJS-SWLSCSKDSA-N 2 1 290.436 2.264 20 0 CEADMP Cn1cncc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000369542045 373448756 /nfs/dbraw/zinc/44/87/56/373448756.db2.gz XSWUGJHROJMWJS-SWLSCSKDSA-N 2 1 290.436 2.264 20 0 CEADMP CCCCOC[C@@H](O)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000369494462 373436977 /nfs/dbraw/zinc/43/69/77/373436977.db2.gz QQIHWKCSQXXODQ-KRWDZBQOSA-N 2 1 298.471 2.161 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CCC(C)C)C1 ZINC000644529895 373513578 /nfs/dbraw/zinc/51/35/78/373513578.db2.gz IYBSAZYHGXHSFX-LSDHHAIUSA-N 2 1 256.434 2.105 20 0 CEADMP CC(C)CC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000644531353 373514988 /nfs/dbraw/zinc/51/49/88/373514988.db2.gz NQWDBSOJYBVUMV-CVEARBPZSA-N 2 1 270.461 2.494 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CCCCC1CCCC1)C1CC1 ZINC000644579825 373541052 /nfs/dbraw/zinc/54/10/52/373541052.db2.gz MPKFHSNROBLTSB-MRXNPFEDSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CCCCC1CCCC1)C1CC1 ZINC000644579825 373541053 /nfs/dbraw/zinc/54/10/53/373541053.db2.gz MPKFHSNROBLTSB-MRXNPFEDSA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)CC[C@@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000644619051 373563008 /nfs/dbraw/zinc/56/30/08/373563008.db2.gz NTPKLGQKTSDEBN-UKRRQHHQSA-N 2 1 254.418 2.024 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC2(C1)CCOCC2 ZINC000371196443 373809131 /nfs/dbraw/zinc/80/91/31/373809131.db2.gz DPCPBWHJOGUTOD-UHFFFAOYSA-N 2 1 263.385 2.084 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC2(C1)CCOCC2 ZINC000371196443 373809138 /nfs/dbraw/zinc/80/91/38/373809138.db2.gz DPCPBWHJOGUTOD-UHFFFAOYSA-N 2 1 263.385 2.084 20 0 CEADMP CCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000371265363 373826112 /nfs/dbraw/zinc/82/61/12/373826112.db2.gz ZJXKAWFFPYZOHV-ZFWWWQNUSA-N 2 1 281.444 2.027 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccs1 ZINC000371470669 373893625 /nfs/dbraw/zinc/89/36/25/373893625.db2.gz NKMSODYNNIEYAW-YUELXQCFSA-N 2 1 280.437 2.432 20 0 CEADMP CC[N@H+](C)C[C@H]1CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)C1 ZINC000645181452 373899029 /nfs/dbraw/zinc/89/90/29/373899029.db2.gz GZRVXVCUVYPZJM-CYBMUJFWSA-N 2 1 287.411 2.353 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)C1 ZINC000645181452 373899036 /nfs/dbraw/zinc/89/90/36/373899036.db2.gz GZRVXVCUVYPZJM-CYBMUJFWSA-N 2 1 287.411 2.353 20 0 CEADMP Cc1[nH]c2ncnc(N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c2c1C ZINC000645193709 373909259 /nfs/dbraw/zinc/90/92/59/373909259.db2.gz IXQUKTYFKRRUCN-ZIAGYGMSSA-N 2 1 299.422 2.495 20 0 CEADMP CCN(CCC[NH+](C)C)c1[nH+]cnc2[nH]c(C)c(C)c21 ZINC000645222788 373930035 /nfs/dbraw/zinc/93/00/35/373930035.db2.gz QMVWCGBFTALSCT-UHFFFAOYSA-N 2 1 275.400 2.353 20 0 CEADMP CCc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)c2ccccc2[nH+]1 ZINC000371801964 373982581 /nfs/dbraw/zinc/98/25/81/373982581.db2.gz ITMVODCPVGNLAX-OAHLLOKOSA-N 2 1 297.402 2.318 20 0 CEADMP CCc1cc(N2CC[N@H+]3CCOC[C@H]3C2)c2ccccc2[nH+]1 ZINC000371801964 373982588 /nfs/dbraw/zinc/98/25/88/373982588.db2.gz ITMVODCPVGNLAX-OAHLLOKOSA-N 2 1 297.402 2.318 20 0 CEADMP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)Cc1ccsc1 ZINC000289492099 197374603 /nfs/dbraw/zinc/37/46/03/197374603.db2.gz JMCQKUATQZNJKK-BBRMVZONSA-N 2 1 296.480 2.456 20 0 CEADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)Cc1ccsc1 ZINC000289492099 197374605 /nfs/dbraw/zinc/37/46/05/197374605.db2.gz JMCQKUATQZNJKK-BBRMVZONSA-N 2 1 296.480 2.456 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](C)Cc1ccsc1 ZINC000289492099 197374606 /nfs/dbraw/zinc/37/46/06/197374606.db2.gz JMCQKUATQZNJKK-BBRMVZONSA-N 2 1 296.480 2.456 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](C)Cc1ccsc1 ZINC000289492099 197374608 /nfs/dbraw/zinc/37/46/08/197374608.db2.gz JMCQKUATQZNJKK-BBRMVZONSA-N 2 1 296.480 2.456 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCC(=O)OC ZINC000277067043 374394049 /nfs/dbraw/zinc/39/40/49/374394049.db2.gz KEYWVSJUUVVXDY-UHFFFAOYSA-N 2 1 281.400 2.111 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCC(=O)OC ZINC000277067043 374394057 /nfs/dbraw/zinc/39/40/57/374394057.db2.gz KEYWVSJUUVVXDY-UHFFFAOYSA-N 2 1 281.400 2.111 20 0 CEADMP Cn1nccc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374276508 374529000 /nfs/dbraw/zinc/52/90/00/374529000.db2.gz BRLSGCSHWCBNFZ-SFHVURJKSA-N 2 1 298.434 2.422 20 0 CEADMP Cn1nccc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374276508 374529011 /nfs/dbraw/zinc/52/90/11/374529011.db2.gz BRLSGCSHWCBNFZ-SFHVURJKSA-N 2 1 298.434 2.422 20 0 CEADMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1ncc[nH]1)CC2)C1CC1 ZINC000374317788 374540035 /nfs/dbraw/zinc/54/00/35/374540035.db2.gz NVWXRTJUVSKPFF-CYBMUJFWSA-N 2 1 274.412 2.106 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)OC(C)(C)C)CC1 ZINC000377267241 374827662 /nfs/dbraw/zinc/82/76/62/374827662.db2.gz OFWAYCPDFBISDD-ZDUSSCGKSA-N 2 1 270.417 2.134 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)OC(C)(C)C)CC1 ZINC000377267241 374827667 /nfs/dbraw/zinc/82/76/67/374827667.db2.gz OFWAYCPDFBISDD-ZDUSSCGKSA-N 2 1 270.417 2.134 20 0 CEADMP C[C@H]1C[N@@H+](CCCCCF)CC[C@H]1N1CC[NH+](C)CC1 ZINC000377401654 374848334 /nfs/dbraw/zinc/84/83/34/374848334.db2.gz SQLCIJUWXRFYLL-JKSUJKDBSA-N 2 1 285.451 2.084 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](C[C@H]3CCC=CO3)C2)CC1 ZINC000377885878 374973652 /nfs/dbraw/zinc/97/36/52/374973652.db2.gz VUJVOFXJHVBTNJ-JKSUJKDBSA-N 2 1 264.413 2.343 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(C)c1cccc(-n2ccnc2)n1 ZINC000378195583 375040191 /nfs/dbraw/zinc/04/01/91/375040191.db2.gz CNBZCAUXMIILIT-AWEZNQCLSA-N 2 1 285.395 2.188 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1 ZINC000684382902 541989764 /nfs/dbraw/zinc/98/97/64/541989764.db2.gz ZBGUXIPXZXYRDE-IAGOWNOFSA-N 2 1 298.471 2.423 20 0 CEADMP CC[C@H](O)C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379646428 375155695 /nfs/dbraw/zinc/15/56/95/375155695.db2.gz IZNMXKNOFQDMQN-ZBFHGGJFSA-N 2 1 264.413 2.258 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000383421003 375202211 /nfs/dbraw/zinc/20/22/11/375202211.db2.gz RAPRLLJTYSCVMI-IYBDPMFKSA-N 2 1 274.408 2.305 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)O1 ZINC000384554658 375211740 /nfs/dbraw/zinc/21/17/40/375211740.db2.gz GSUNSTWDKLEENS-KDWLQQCTSA-N 2 1 252.402 2.157 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](C)O1 ZINC000384554658 375211747 /nfs/dbraw/zinc/21/17/47/375211747.db2.gz GSUNSTWDKLEENS-KDWLQQCTSA-N 2 1 252.402 2.157 20 0 CEADMP Cc1cnccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000384929787 375222723 /nfs/dbraw/zinc/22/27/23/375222723.db2.gz HEJFIHPIUYOLNC-CVEARBPZSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cnccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000384929787 375222728 /nfs/dbraw/zinc/22/27/28/375222728.db2.gz HEJFIHPIUYOLNC-CVEARBPZSA-N 2 1 259.397 2.354 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000387695512 375279242 /nfs/dbraw/zinc/27/92/42/375279242.db2.gz WDUVILUBVYDBPE-SOUVJXGZSA-N 2 1 295.471 2.096 20 0 CEADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000388267012 375286606 /nfs/dbraw/zinc/28/66/06/375286606.db2.gz CTFGXQPNLQMFFW-MYPMTAMASA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H]([NH2+]CCc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000386602370 375264051 /nfs/dbraw/zinc/26/40/51/375264051.db2.gz VANNWJFNORPDPT-SWLSCSKDSA-N 2 1 250.361 2.488 20 0 CEADMP COCc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)o1 ZINC000397442272 375341057 /nfs/dbraw/zinc/34/10/57/375341057.db2.gz GIIROENRNHIUQT-AGIUHOORSA-N 2 1 266.385 2.231 20 0 CEADMP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000684627932 542048942 /nfs/dbraw/zinc/04/89/42/542048942.db2.gz KIZOMNGYKXRYKS-CQSZACIVSA-N 2 1 298.390 2.368 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN1CC[NH+](Cc2cccs2)CC1 ZINC000414672564 375911367 /nfs/dbraw/zinc/91/13/67/375911367.db2.gz ASPDYQXPLSDMJY-CQSZACIVSA-N 2 1 281.469 2.239 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](CCO)C2CCCCC2)CC[NH2+]1 ZINC000414667674 375910235 /nfs/dbraw/zinc/91/02/35/375910235.db2.gz HYYRLBQRBMIAML-KBPBESRZSA-N 2 1 254.418 2.002 20 0 CEADMP COc1ccc(-c2n[nH]cc2C[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000414780093 375965761 /nfs/dbraw/zinc/96/57/61/375965761.db2.gz SINFNZNYOHKWNO-UHFFFAOYSA-N 2 1 286.379 2.007 20 0 CEADMP COc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000414780093 375965767 /nfs/dbraw/zinc/96/57/67/375965767.db2.gz SINFNZNYOHKWNO-UHFFFAOYSA-N 2 1 286.379 2.007 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000414783308 375967874 /nfs/dbraw/zinc/96/78/74/375967874.db2.gz PTXJQWIZFUZXPJ-LSDHHAIUSA-N 2 1 289.423 2.302 20 0 CEADMP CCOc1cc2c(cc1C[NH2+]C1CC[NH2+]CC1)O[C@H](C)C2 ZINC000414784977 375969652 /nfs/dbraw/zinc/96/96/52/375969652.db2.gz IIWVBNCZMAJPPK-GFCCVEGCSA-N 2 1 290.407 2.250 20 0 CEADMP C[C@@H]1CCc2nc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])sc2C1 ZINC000414790777 375972875 /nfs/dbraw/zinc/97/28/75/375972875.db2.gz AIACDXUQHLBXHV-IJLUTSLNSA-N 2 1 279.453 2.485 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)C1CC1 ZINC000414790932 375973684 /nfs/dbraw/zinc/97/36/84/375973684.db2.gz ATLSVBQLQUPCAC-SFHVURJKSA-N 2 1 297.402 2.488 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414695311 375922096 /nfs/dbraw/zinc/92/20/96/375922096.db2.gz FHLZNSSAJUOBGP-UKRRQHHQSA-N 2 1 290.407 2.293 20 0 CEADMP [NH3+]CCCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000414697529 375924082 /nfs/dbraw/zinc/92/40/82/375924082.db2.gz CDDHDKHGYMWJOF-ROUUACIJSA-N 2 1 287.451 2.322 20 0 CEADMP CC(C)(C)C[C@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695409 375924355 /nfs/dbraw/zinc/92/43/55/375924355.db2.gz UPZAUYYJYKXQDL-HUUCEWRRSA-N 2 1 295.471 2.084 20 0 CEADMP CC(C)C[C@@H]1COCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414703792 375930263 /nfs/dbraw/zinc/93/02/63/375930263.db2.gz VUBLHYKKDUPDFP-RBSFLKMASA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)CC[NH2+]1 ZINC000414707903 375933546 /nfs/dbraw/zinc/93/35/46/375933546.db2.gz PFPROSDAAVQMPC-KEYYUXOJSA-N 2 1 290.407 2.154 20 0 CEADMP CC(C)(C)[NH2+]CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000414710254 375935495 /nfs/dbraw/zinc/93/54/95/375935495.db2.gz PTYFLEIUERYLME-HOCLYGCPSA-N 2 1 279.472 2.323 20 0 CEADMP [NH3+]CCC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000414731871 375942257 /nfs/dbraw/zinc/94/22/57/375942257.db2.gz CAJZRYUKLOHYLV-CYBMUJFWSA-N 2 1 264.344 2.069 20 0 CEADMP [NH3+]CCC[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000414731871 375942267 /nfs/dbraw/zinc/94/22/67/375942267.db2.gz CAJZRYUKLOHYLV-CYBMUJFWSA-N 2 1 264.344 2.069 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](OCC3CC3)C2)CC[NH2+]1 ZINC000414737057 375943471 /nfs/dbraw/zinc/94/34/71/375943471.db2.gz HECKLZXXFAUUBZ-FVQBIDKESA-N 2 1 266.429 2.266 20 0 CEADMP CN(C[C@H]1CCC[N@@H+](C)C1)c1nc2ccccc2[nH]1 ZINC000258834311 190038426 /nfs/dbraw/zinc/03/84/26/190038426.db2.gz OOEDHJSNZBPERZ-LBPRGKRZSA-N 2 1 258.369 2.341 20 0 CEADMP CCCOc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1OC ZINC000414809587 375995990 /nfs/dbraw/zinc/99/59/90/375995990.db2.gz VPMOVMZNXCORDC-UHFFFAOYSA-N 2 1 266.385 2.311 20 0 CEADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(C)c1 ZINC000414810619 375998171 /nfs/dbraw/zinc/99/81/71/375998171.db2.gz VKEBWCFTJVTJJD-CZUORRHYSA-N 2 1 289.423 2.347 20 0 CEADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c1C ZINC000414814495 376001708 /nfs/dbraw/zinc/00/17/08/376001708.db2.gz ZDCYQSNJJAIWHA-LRDDRELGSA-N 2 1 289.423 2.347 20 0 CEADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414816472 376002807 /nfs/dbraw/zinc/00/28/07/376002807.db2.gz XCWSMJUFAACWCY-GJZGRUSLSA-N 2 1 292.423 2.352 20 0 CEADMP C[C@H]([NH2+]Cc1cncc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000414818247 376003385 /nfs/dbraw/zinc/00/33/85/376003385.db2.gz DISQQHOWBRYZLT-CMPLNLGQSA-N 2 1 298.228 2.322 20 0 CEADMP C[C@@H]([NH2+]Cc1cc(O)cc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000414820526 376006020 /nfs/dbraw/zinc/00/60/20/376006020.db2.gz JWSLXKSPSMVWOQ-ZYHUDNBSSA-N 2 1 252.333 2.009 20 0 CEADMP C[C@H]([NH3+])CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000414821774 376008448 /nfs/dbraw/zinc/00/84/48/376008448.db2.gz LTUGOSQXRGMIOO-XOYOTBSWSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000414821774 376008452 /nfs/dbraw/zinc/00/84/52/376008452.db2.gz LTUGOSQXRGMIOO-XOYOTBSWSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000414821774 376008455 /nfs/dbraw/zinc/00/84/55/376008455.db2.gz LTUGOSQXRGMIOO-XOYOTBSWSA-N 3 1 287.451 2.224 20 0 CEADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1 ZINC000414977240 376015587 /nfs/dbraw/zinc/01/55/87/376015587.db2.gz PRSVNFOTTCXJAU-OKZBNKHCSA-N 2 1 287.451 2.124 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@@H](C)C1 ZINC000415028766 376016620 /nfs/dbraw/zinc/01/66/20/376016620.db2.gz ZHIKWJQXFHGTLU-YHUYYLMFSA-N 3 1 267.461 2.071 20 0 CEADMP CCN1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@@H](C)C1 ZINC000415028766 376016625 /nfs/dbraw/zinc/01/66/25/376016625.db2.gz ZHIKWJQXFHGTLU-YHUYYLMFSA-N 2 1 267.461 2.071 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058065 376020015 /nfs/dbraw/zinc/02/00/15/376020015.db2.gz RETYEUIQMBQRFB-KLHDSHLOSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058065 376020019 /nfs/dbraw/zinc/02/00/19/376020019.db2.gz RETYEUIQMBQRFB-KLHDSHLOSA-N 3 1 267.461 2.214 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH2+]C)cc1 ZINC000261768100 190043849 /nfs/dbraw/zinc/04/38/49/190043849.db2.gz OYITXKOJXOJYDO-AWEZNQCLSA-N 2 1 291.439 2.256 20 0 CEADMP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000286945107 376110352 /nfs/dbraw/zinc/11/03/52/376110352.db2.gz BJIRNJZVHUHRBJ-KBPBESRZSA-N 2 1 270.380 2.500 20 0 CEADMP CCC(O)(CC)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000305845190 376519269 /nfs/dbraw/zinc/51/92/69/376519269.db2.gz SIAVFVHDVYFSJQ-CQSZACIVSA-N 2 1 256.434 2.344 20 0 CEADMP CCC(O)(CC)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000305845190 376519275 /nfs/dbraw/zinc/51/92/75/376519275.db2.gz SIAVFVHDVYFSJQ-CQSZACIVSA-N 2 1 256.434 2.344 20 0 CEADMP CCC(O)(CC)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000305845190 376519282 /nfs/dbraw/zinc/51/92/82/376519282.db2.gz SIAVFVHDVYFSJQ-CQSZACIVSA-N 2 1 256.434 2.344 20 0 CEADMP c1ccc(COCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000309727373 376603710 /nfs/dbraw/zinc/60/37/10/376603710.db2.gz QFTMQRRRCQLTDP-IRXDYDNUSA-N 2 1 274.408 2.277 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2cncn2C)C[C@H](c2ccccc2)O1 ZINC000289980388 376586572 /nfs/dbraw/zinc/58/65/72/376586572.db2.gz JPWVULGISRAUEK-RHSMWYFYSA-N 2 1 285.391 2.425 20 0 CEADMP C[C@@H]1CN(CCc2cncn2C)C[C@H](c2ccccc2)O1 ZINC000289980388 376586578 /nfs/dbraw/zinc/58/65/78/376586578.db2.gz JPWVULGISRAUEK-RHSMWYFYSA-N 2 1 285.391 2.425 20 0 CEADMP [NH3+]C[C@@H]1CCCC[N@@H+]1CCCOCc1ccccc1 ZINC000310016012 376613728 /nfs/dbraw/zinc/61/37/28/376613728.db2.gz OBXJJHZMZOVRRB-INIZCTEOSA-N 2 1 262.397 2.407 20 0 CEADMP [NH3+]C[C@@H]1CCCC[N@H+]1CCCOCc1ccccc1 ZINC000310016012 376613734 /nfs/dbraw/zinc/61/37/34/376613734.db2.gz OBXJJHZMZOVRRB-INIZCTEOSA-N 2 1 262.397 2.407 20 0 CEADMP [NH3+]CC[C@@H]1CCCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000420249284 376659026 /nfs/dbraw/zinc/65/90/26/376659026.db2.gz YDYPJCOOZJLVER-AWEZNQCLSA-N 2 1 289.427 2.032 20 0 CEADMP Cc1ccc(SCC[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1C ZINC000420385674 376684124 /nfs/dbraw/zinc/68/41/24/376684124.db2.gz HTJVVOZLEICEIR-OAHLLOKOSA-N 2 1 294.464 2.445 20 0 CEADMP Cc1ccc(SCC[N@H+]2CCCO[C@H](C[NH3+])C2)cc1C ZINC000420385674 376684133 /nfs/dbraw/zinc/68/41/33/376684133.db2.gz HTJVVOZLEICEIR-OAHLLOKOSA-N 2 1 294.464 2.445 20 0 CEADMP CCO[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000559949919 376702008 /nfs/dbraw/zinc/70/20/08/376702008.db2.gz SBHZULDRCCZZET-LSDHHAIUSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H](CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000314937179 376788924 /nfs/dbraw/zinc/78/89/24/376788924.db2.gz XXWZBGXFRKWVNY-FUHWJXTLSA-N 2 1 287.451 2.160 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc2c1OCO2 ZINC000290561941 376835020 /nfs/dbraw/zinc/83/50/20/376835020.db2.gz SKRHHAMCXFTNKV-UHFFFAOYSA-N 2 1 287.363 2.442 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc2c1OCO2 ZINC000290561941 376835033 /nfs/dbraw/zinc/83/50/33/376835033.db2.gz SKRHHAMCXFTNKV-UHFFFAOYSA-N 2 1 287.363 2.442 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc(C)ncc1C ZINC000562020948 376840278 /nfs/dbraw/zinc/84/02/78/376840278.db2.gz LUASNGPYFJIUFE-CQSZACIVSA-N 2 1 292.427 2.362 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)[C@@H]1C ZINC000562089821 376844131 /nfs/dbraw/zinc/84/41/31/376844131.db2.gz HAHPCLGGWLMHLY-LJISPDSOSA-N 2 1 284.444 2.283 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)[C@@H]1C ZINC000562089821 376844137 /nfs/dbraw/zinc/84/41/37/376844137.db2.gz HAHPCLGGWLMHLY-LJISPDSOSA-N 2 1 284.444 2.283 20 0 CEADMP CC[C@@H]([NH2+]CCc1sc(C)nc1C)[C@@H]1CCC[NH2+]1 ZINC000422891000 376854740 /nfs/dbraw/zinc/85/47/40/376854740.db2.gz UGXJUMWWXZRVMS-OLZOCXBDSA-N 2 1 267.442 2.423 20 0 CEADMP Cc1nc(C)c(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)s1 ZINC000422891376 376854812 /nfs/dbraw/zinc/85/48/12/376854812.db2.gz VFKVVPHBPWMIFA-ZWNOBZJWSA-N 2 1 267.442 2.423 20 0 CEADMP COc1ccc(OCCC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422899252 376856845 /nfs/dbraw/zinc/85/68/45/376856845.db2.gz OANPKQNPGJDZSU-BBRMVZONSA-N 2 1 278.396 2.194 20 0 CEADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CCC[NH3+])CCCC2)CC1 ZINC000422892938 376857076 /nfs/dbraw/zinc/85/70/76/376857076.db2.gz ZUQLGMKNQLFJMP-OAHLLOKOSA-N 3 1 297.487 2.127 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)CCO2 ZINC000290635427 376862790 /nfs/dbraw/zinc/86/27/90/376862790.db2.gz YFSDLPKLLCELKD-XJKSGUPXSA-N 2 1 274.408 2.394 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)CCO2 ZINC000290635427 376862796 /nfs/dbraw/zinc/86/27/96/376862796.db2.gz YFSDLPKLLCELKD-XJKSGUPXSA-N 2 1 274.408 2.394 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000290635427 376862801 /nfs/dbraw/zinc/86/28/01/376862801.db2.gz YFSDLPKLLCELKD-XJKSGUPXSA-N 2 1 274.408 2.394 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000290635427 376862810 /nfs/dbraw/zinc/86/28/10/376862810.db2.gz YFSDLPKLLCELKD-XJKSGUPXSA-N 2 1 274.408 2.394 20 0 CEADMP CC(C)[C@H](CN[C@@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000422936914 376864620 /nfs/dbraw/zinc/86/46/20/376864620.db2.gz ITTWXXBRRXDQQG-MSOLQXFVSA-N 2 1 287.451 2.021 20 0 CEADMP Cc1ccn2c(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)cnc2c1 ZINC000328630119 376866949 /nfs/dbraw/zinc/86/69/49/376866949.db2.gz JATHOVVXEKTUTN-AWEZNQCLSA-N 2 1 295.390 2.191 20 0 CEADMP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422951643 376876583 /nfs/dbraw/zinc/87/65/83/376876583.db2.gz ZLRAFUCZNYOPCP-QWHCGFSZSA-N 2 1 289.423 2.369 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCCC1 ZINC000422960978 376886971 /nfs/dbraw/zinc/88/69/71/376886971.db2.gz AHGDQIKEJMSEGZ-YYIAUSFCSA-N 2 1 279.472 2.371 20 0 CEADMP O=C(Nc1ccn2ccnc2c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000290713937 376892139 /nfs/dbraw/zinc/89/21/39/376892139.db2.gz OBPBQJBXVJJVAZ-UONOGXRCSA-N 2 1 299.378 2.083 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000423078581 376971775 /nfs/dbraw/zinc/97/17/75/376971775.db2.gz WHOWYOMGFHLENS-ARFHVFGLSA-N 2 1 265.445 2.253 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000423078581 376971778 /nfs/dbraw/zinc/97/17/78/376971778.db2.gz WHOWYOMGFHLENS-ARFHVFGLSA-N 2 1 265.445 2.253 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000423078811 376972494 /nfs/dbraw/zinc/97/24/94/376972494.db2.gz WUYSUCUPDOWTML-BPUTZDHNSA-N 2 1 265.445 2.110 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000423078811 376972499 /nfs/dbraw/zinc/97/24/99/376972499.db2.gz WUYSUCUPDOWTML-BPUTZDHNSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@@H](NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000423082263 376974286 /nfs/dbraw/zinc/97/42/86/376974286.db2.gz CURPALAVNFZWDL-KFWWJZLASA-N 2 1 267.461 2.227 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422997371 376914796 /nfs/dbraw/zinc/91/47/96/376914796.db2.gz NWHYUOJJNZTLRT-VPSFDDGASA-N 2 1 279.472 2.227 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422997371 376914799 /nfs/dbraw/zinc/91/47/99/376914799.db2.gz NWHYUOJJNZTLRT-VPSFDDGASA-N 3 1 279.472 2.227 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422997371 376914801 /nfs/dbraw/zinc/91/48/01/376914801.db2.gz NWHYUOJJNZTLRT-VPSFDDGASA-N 3 1 279.472 2.227 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422998168 376915133 /nfs/dbraw/zinc/91/51/33/376915133.db2.gz CKZDRVOTZOKRRM-MGPQQGTHSA-N 2 1 256.434 2.150 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422998853 376916992 /nfs/dbraw/zinc/91/69/92/376916992.db2.gz RFASBHNJVRXEFF-HOTGVXAUSA-N 3 1 269.477 2.462 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423082809 376977059 /nfs/dbraw/zinc/97/70/59/376977059.db2.gz XTRSDLZKWWJTKX-MXASKKJJSA-N 2 1 274.408 2.352 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000423064575 376954427 /nfs/dbraw/zinc/95/44/27/376954427.db2.gz RTKZWUFZRARIJE-ZDEQEGDKSA-N 2 1 294.361 2.200 20 0 CEADMP C[C@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1C[NH2+]C1 ZINC000423065108 376954532 /nfs/dbraw/zinc/95/45/32/376954532.db2.gz SUKKSDRAGDCSRQ-KSSFIOAISA-N 2 1 287.451 2.095 20 0 CEADMP C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000423078654 376971291 /nfs/dbraw/zinc/97/12/91/376971291.db2.gz OWPCSUUBCGXIQY-NUEKZKHPSA-N 2 1 268.445 2.438 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1c[nH+]ccc1N ZINC000423119513 377014531 /nfs/dbraw/zinc/01/45/31/377014531.db2.gz CSMQTJDXDJGKJI-QANKJYHBSA-N 2 1 297.402 2.311 20 0 CEADMP C[C@H]([NH2+]C[C@H]1COc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000423121877 377016805 /nfs/dbraw/zinc/01/68/05/377016805.db2.gz JMZCLSRVAAQAOU-KCQAQPDRSA-N 2 1 260.381 2.283 20 0 CEADMP C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000423121750 377017349 /nfs/dbraw/zinc/01/73/49/377017349.db2.gz IUMDXRZTNQRQMB-SQYUCLKFSA-N 2 1 264.344 2.235 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000423122055 377018410 /nfs/dbraw/zinc/01/84/10/377018410.db2.gz JZYHQZKLDKRASN-QLFBSQMISA-N 2 1 263.429 2.222 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000423122055 377018417 /nfs/dbraw/zinc/01/84/17/377018417.db2.gz JZYHQZKLDKRASN-QLFBSQMISA-N 2 1 263.429 2.222 20 0 CEADMP C[C@H]([NH2+]C[C@H](CO)c1ccccc1Cl)[C@H]1CCC[NH2+]1 ZINC000423120765 377018474 /nfs/dbraw/zinc/01/84/74/377018474.db2.gz HMEZBXSZQUOOGT-YWPYICTPSA-N 2 1 282.815 2.146 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000423121878 377018502 /nfs/dbraw/zinc/01/85/02/377018502.db2.gz JMZCLSRVAAQAOU-NFAWXSAZSA-N 2 1 260.381 2.283 20 0 CEADMP COC[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(Cl)c1 ZINC000423122730 377019954 /nfs/dbraw/zinc/01/99/54/377019954.db2.gz LEAWAUWKRIKRGJ-QMTHXVAHSA-N 2 1 268.788 2.225 20 0 CEADMP COc1cccc(C2(C[NH2+][C@H]3C[NH2+]CC[C@@H]3C)CC2)c1 ZINC000423128660 377027734 /nfs/dbraw/zinc/02/77/34/377027734.db2.gz WCXGDIXXGHRPAT-BBRMVZONSA-N 2 1 274.408 2.314 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423133231 377032996 /nfs/dbraw/zinc/03/29/96/377032996.db2.gz CNEFSQRSMPQMBH-ILXRZTDVSA-N 2 1 255.450 2.227 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CCCCC[C@H]1[NH3+] ZINC000423143297 377042536 /nfs/dbraw/zinc/04/25/36/377042536.db2.gz WXHCHGAGZDKOAC-KFWWJZLASA-N 2 1 255.450 2.356 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423089782 376982555 /nfs/dbraw/zinc/98/25/55/376982555.db2.gz VXFGVXFCVJXHQS-KKUMJFAQSA-N 2 1 267.461 2.356 20 0 CEADMP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423089782 376982564 /nfs/dbraw/zinc/98/25/64/376982564.db2.gz VXFGVXFCVJXHQS-KKUMJFAQSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1ccccc1F ZINC000423093475 376987688 /nfs/dbraw/zinc/98/76/88/376987688.db2.gz HPTDRIFJCBTXAF-SWLSCSKDSA-N 2 1 250.361 2.346 20 0 CEADMP C[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1c[nH+]ccc1N ZINC000423107362 376999435 /nfs/dbraw/zinc/99/94/35/376999435.db2.gz KTTFEGBKYSNXHY-QMMMGPOBSA-N 2 1 259.275 2.487 20 0 CEADMP COCCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000423111528 377005415 /nfs/dbraw/zinc/00/54/15/377005415.db2.gz WFIKQZJMIHIHGS-HZPDHXFCSA-N 2 1 278.396 2.071 20 0 CEADMP COCCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000423111529 377006353 /nfs/dbraw/zinc/00/63/53/377006353.db2.gz WFIKQZJMIHIHGS-JKSUJKDBSA-N 2 1 278.396 2.071 20 0 CEADMP C[NH2+]CCCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423201421 377118605 /nfs/dbraw/zinc/11/86/05/377118605.db2.gz OPVHBIZIVVTGEM-RDJZCZTQSA-N 2 1 275.440 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423201421 377118611 /nfs/dbraw/zinc/11/86/11/377118611.db2.gz OPVHBIZIVVTGEM-RDJZCZTQSA-N 3 1 275.440 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423201421 377118618 /nfs/dbraw/zinc/11/86/18/377118618.db2.gz OPVHBIZIVVTGEM-RDJZCZTQSA-N 3 1 275.440 2.096 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423158394 377060964 /nfs/dbraw/zinc/06/09/64/377060964.db2.gz WPVJYWRWLPEKPQ-SVGFKBNWSA-N 2 1 289.423 2.422 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000423206499 377122953 /nfs/dbraw/zinc/12/29/53/377122953.db2.gz XDNVBZGCFZTANN-NSHDSACASA-N 2 1 293.802 2.181 20 0 CEADMP CSCC1CCC([NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423163859 377066679 /nfs/dbraw/zinc/06/66/79/377066679.db2.gz VWLWNKNPOGKZSG-RYSNWHEDSA-N 2 1 256.459 2.496 20 0 CEADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000423207323 377124319 /nfs/dbraw/zinc/12/43/19/377124319.db2.gz GSBGVEWNKCXVMS-MNOVXSKESA-N 2 1 282.409 2.185 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423176259 377085493 /nfs/dbraw/zinc/08/54/93/377085493.db2.gz FYYXCELUGANCOZ-INWMFGNUSA-N 2 1 280.387 2.022 20 0 CEADMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[NH3+] ZINC000423185816 377100569 /nfs/dbraw/zinc/10/05/69/377100569.db2.gz NMQHJBZKQJQDEK-QMMMGPOBSA-N 2 1 275.165 2.068 20 0 CEADMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cnn(C)c1 ZINC000423191521 377104887 /nfs/dbraw/zinc/10/48/87/377104887.db2.gz SSPQQCYNIZEZAT-INIZCTEOSA-N 2 1 287.411 2.036 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000423207667 377125500 /nfs/dbraw/zinc/12/55/00/377125500.db2.gz YBEBODAXRXZEIT-NSHDSACASA-N 2 1 252.406 2.207 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423272317 377191630 /nfs/dbraw/zinc/19/16/30/377191630.db2.gz JUWAWKWZPVHJDR-LSDHHAIUSA-N 2 1 293.455 2.133 20 0 CEADMP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423273841 377194199 /nfs/dbraw/zinc/19/41/99/377194199.db2.gz JPGKRGOBKDJLIM-CVEARBPZSA-N 2 1 260.381 2.400 20 0 CEADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1OC ZINC000423216778 377133463 /nfs/dbraw/zinc/13/34/63/377133463.db2.gz QXDLGSNSOWGSIC-DYEKYZERSA-N 2 1 278.396 2.147 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(C)c1OC ZINC000423230321 377149066 /nfs/dbraw/zinc/14/90/66/377149066.db2.gz DIYZSOVGORSWJD-DOMZBBRYSA-N 2 1 292.423 2.285 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000423257890 377176531 /nfs/dbraw/zinc/17/65/31/377176531.db2.gz ANOUDJTYRYSEGG-AXFHLTTASA-N 2 1 268.323 2.059 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1c(C)cccc1C ZINC000563352246 377180679 /nfs/dbraw/zinc/18/06/79/377180679.db2.gz HHRVSZZXOUIACD-CABCVRRESA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1c(C)cccc1C ZINC000563352246 377180688 /nfs/dbraw/zinc/18/06/88/377180688.db2.gz HHRVSZZXOUIACD-CABCVRRESA-N 2 1 264.413 2.267 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423263324 377181161 /nfs/dbraw/zinc/18/11/61/377181161.db2.gz AXAUJPVLNMXBPO-NXHRZFHOSA-N 2 1 289.467 2.470 20 0 CEADMP CCc1nc2c(s1)[C@H]([NH2+][C@H](C[NH3+])C1CC1)CCC2 ZINC000423274976 377198343 /nfs/dbraw/zinc/19/83/43/377198343.db2.gz LBTZPMWIXZXMKK-ZYHUDNBSSA-N 2 1 265.426 2.410 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000423274822 377198387 /nfs/dbraw/zinc/19/83/87/377198387.db2.gz MNYMRWWFDMAIDM-YOEHRIQHSA-N 2 1 291.439 2.157 20 0 CEADMP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000423286837 377216546 /nfs/dbraw/zinc/21/65/46/377216546.db2.gz JBSCCQGDLBKGGB-LBPRGKRZSA-N 2 1 266.385 2.482 20 0 CEADMP Cc1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)o1 ZINC000685567168 542158390 /nfs/dbraw/zinc/15/83/90/542158390.db2.gz XZUUNWZXERMEAU-KGLIPLIRSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)o1 ZINC000685567168 542158393 /nfs/dbraw/zinc/15/83/93/542158393.db2.gz XZUUNWZXERMEAU-KGLIPLIRSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000685567168 542158398 /nfs/dbraw/zinc/15/83/98/542158398.db2.gz XZUUNWZXERMEAU-KGLIPLIRSA-N 2 1 263.385 2.208 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000423292183 377223067 /nfs/dbraw/zinc/22/30/67/377223067.db2.gz LVUUAZCKFVXOLK-WWGRRREGSA-N 3 1 261.413 2.279 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000423292183 377223070 /nfs/dbraw/zinc/22/30/70/377223070.db2.gz LVUUAZCKFVXOLK-WWGRRREGSA-N 2 1 261.413 2.279 20 0 CEADMP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000423292183 377223075 /nfs/dbraw/zinc/22/30/75/377223075.db2.gz LVUUAZCKFVXOLK-WWGRRREGSA-N 2 1 261.413 2.279 20 0 CEADMP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000423292183 377223079 /nfs/dbraw/zinc/22/30/79/377223079.db2.gz LVUUAZCKFVXOLK-WWGRRREGSA-N 2 1 261.413 2.279 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000685567168 542158403 /nfs/dbraw/zinc/15/84/03/542158403.db2.gz XZUUNWZXERMEAU-KGLIPLIRSA-N 2 1 263.385 2.208 20 0 CEADMP C[C@@H](N[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423299440 377229923 /nfs/dbraw/zinc/22/99/23/377229923.db2.gz BPYNFRVXFBANBL-NJAFHUGGSA-N 2 1 287.451 2.239 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423303182 377232742 /nfs/dbraw/zinc/23/27/42/377232742.db2.gz WRFKPPQSEBWFKJ-TUVASFSCSA-N 2 1 266.429 2.441 20 0 CEADMP COc1cccc2cc([C@@H](C)[NH2+]CC3C[NH2+]C3)oc21 ZINC000423302436 377232914 /nfs/dbraw/zinc/23/29/14/377232914.db2.gz JKRCHUKPDLDKEI-SNVBAGLBSA-N 2 1 260.337 2.311 20 0 CEADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)CCC2 ZINC000423313926 377243805 /nfs/dbraw/zinc/24/38/05/377243805.db2.gz GKYRZJMXLPQCOH-GHMZBOCLSA-N 2 1 265.426 2.410 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000423318846 377248035 /nfs/dbraw/zinc/24/80/35/377248035.db2.gz ZLXWJMJEOGFSQM-RYQLBKOJSA-N 2 1 287.451 2.239 20 0 CEADMP COCCC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(F)cc1 ZINC000423319809 377250389 /nfs/dbraw/zinc/25/03/89/377250389.db2.gz FNVKRZVCPMGAJX-BXUZGUMPSA-N 2 1 254.349 2.230 20 0 CEADMP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000423319015 377250469 /nfs/dbraw/zinc/25/04/69/377250469.db2.gz LJHTVKGHTABYPJ-INIZCTEOSA-N 2 1 282.391 2.059 20 0 CEADMP C[C@H](C[NH3+])N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423322460 377253330 /nfs/dbraw/zinc/25/33/30/377253330.db2.gz IQLVZRKPEPRHOC-BZZMCLGOSA-N 2 1 287.451 2.224 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc2c(c1)OCCO2 ZINC000423326142 377258546 /nfs/dbraw/zinc/25/85/46/377258546.db2.gz QOPNURUCCQKSRJ-UONOGXRCSA-N 2 1 276.380 2.236 20 0 CEADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423276344 377200038 /nfs/dbraw/zinc/20/00/38/377200038.db2.gz OKRPYLHQNWFKAH-YUELXQCFSA-N 2 1 250.386 2.336 20 0 CEADMP COc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)ccc1F ZINC000423277754 377202817 /nfs/dbraw/zinc/20/28/17/377202817.db2.gz OOQMCKCJWMVNDJ-RNCFNFMXSA-N 2 1 252.333 2.222 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000423278172 377205994 /nfs/dbraw/zinc/20/59/94/377205994.db2.gz QRFJHANCIZRDMN-NEPJUHHUSA-N 2 1 293.411 2.160 20 0 CEADMP Cn1cnc2cc(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)ccc21 ZINC000292803812 377289643 /nfs/dbraw/zinc/28/96/43/377289643.db2.gz NVQRCIHFOACDIV-QGZVFWFLSA-N 2 1 284.407 2.101 20 0 CEADMP Cn1cnc2cc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)ccc21 ZINC000292803812 377289651 /nfs/dbraw/zinc/28/96/51/377289651.db2.gz NVQRCIHFOACDIV-QGZVFWFLSA-N 2 1 284.407 2.101 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)ccc21 ZINC000292803812 377289656 /nfs/dbraw/zinc/28/96/56/377289656.db2.gz NVQRCIHFOACDIV-QGZVFWFLSA-N 2 1 284.407 2.101 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)C2 ZINC000564348574 377382027 /nfs/dbraw/zinc/38/20/27/377382027.db2.gz LTMBHORBJCSLDZ-KGLIPLIRSA-N 2 1 274.408 2.441 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000425924003 377387730 /nfs/dbraw/zinc/38/77/30/377387730.db2.gz VBKLNNSXFQXMDF-UKRRQHHQSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000425924003 377387734 /nfs/dbraw/zinc/38/77/34/377387734.db2.gz VBKLNNSXFQXMDF-UKRRQHHQSA-N 2 1 265.401 2.065 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccn1 ZINC000564099187 377346280 /nfs/dbraw/zinc/34/62/80/377346280.db2.gz HCBDOFUISVLMPN-OLZOCXBDSA-N 2 1 263.385 2.083 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccn1 ZINC000564099187 377346288 /nfs/dbraw/zinc/34/62/88/377346288.db2.gz HCBDOFUISVLMPN-OLZOCXBDSA-N 2 1 263.385 2.083 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000564777314 377452403 /nfs/dbraw/zinc/45/24/03/377452403.db2.gz DSTLTGRPWHFRPV-BTTYYORXSA-N 2 1 254.418 2.406 20 0 CEADMP C[N@H+]1CCC[C@@]2(CCN(C[C@H](O)c3ccc(F)cc3)C2)C1 ZINC000293064905 377414568 /nfs/dbraw/zinc/41/45/68/377414568.db2.gz UYEXYPKDDRFKIC-DLBZAZTESA-N 2 1 292.398 2.277 20 0 CEADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)c3ccc(F)cc3)C2)C1 ZINC000293064905 377414575 /nfs/dbraw/zinc/41/45/75/377414575.db2.gz UYEXYPKDDRFKIC-DLBZAZTESA-N 2 1 292.398 2.277 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)c3ccc(F)cc3)C2)C1 ZINC000293064905 377414590 /nfs/dbraw/zinc/41/45/90/377414590.db2.gz UYEXYPKDDRFKIC-DLBZAZTESA-N 2 1 292.398 2.277 20 0 CEADMP Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ncn1 ZINC000428374628 377492127 /nfs/dbraw/zinc/49/21/27/377492127.db2.gz BETYCGUZYBZYJP-YOEHRIQHSA-N 2 1 286.423 2.234 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000685657945 542176333 /nfs/dbraw/zinc/17/63/33/542176333.db2.gz VEBXGZHAFQYZSA-OWCLPIDISA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000685657945 542176334 /nfs/dbraw/zinc/17/63/34/542176334.db2.gz VEBXGZHAFQYZSA-OWCLPIDISA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000685657945 542176336 /nfs/dbraw/zinc/17/63/36/542176336.db2.gz VEBXGZHAFQYZSA-OWCLPIDISA-N 2 1 267.461 2.323 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000293346767 377530275 /nfs/dbraw/zinc/53/02/75/377530275.db2.gz GUOLXIIGEYODLP-QWRGUYRKSA-N 2 1 284.425 2.383 20 0 CEADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430948837 377570813 /nfs/dbraw/zinc/57/08/13/377570813.db2.gz AHTLAOZXKZDVRH-LBPRGKRZSA-N 2 1 293.436 2.018 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000430965778 377579279 /nfs/dbraw/zinc/57/92/79/377579279.db2.gz MENKKTIJBKWSGA-NSHDSACASA-N 2 1 275.327 2.261 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000430965778 377579287 /nfs/dbraw/zinc/57/92/87/377579287.db2.gz MENKKTIJBKWSGA-NSHDSACASA-N 2 1 275.327 2.261 20 0 CEADMP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431086620 377598299 /nfs/dbraw/zinc/59/82/99/377598299.db2.gz NVTRGJKBEAVDNQ-UTUOFQBUSA-N 2 1 278.400 2.416 20 0 CEADMP Cn1cnc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000313261498 249390938 /nfs/dbraw/zinc/39/09/38/249390938.db2.gz ASLIHDZOZZUYLK-UHFFFAOYSA-N 2 1 298.434 2.217 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C[NH2+]CC2 ZINC000565369037 377652378 /nfs/dbraw/zinc/65/23/78/377652378.db2.gz VDXIDHJAWZYGLD-IEBWSBKVSA-N 3 1 299.462 2.296 20 0 CEADMP c1cc2c(cc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C[NH2+]CC2 ZINC000565369037 377652384 /nfs/dbraw/zinc/65/23/84/377652384.db2.gz VDXIDHJAWZYGLD-IEBWSBKVSA-N 2 1 299.462 2.296 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000565899974 377705528 /nfs/dbraw/zinc/70/55/28/377705528.db2.gz JTPHYIFPUKISRK-MRXNPFEDSA-N 2 1 270.380 2.489 20 0 CEADMP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000265853673 190212979 /nfs/dbraw/zinc/21/29/79/190212979.db2.gz YYKJJCCHFZIFQV-WBVHZDCISA-N 2 1 274.408 2.138 20 0 CEADMP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000265853673 190212980 /nfs/dbraw/zinc/21/29/80/190212980.db2.gz YYKJJCCHFZIFQV-WBVHZDCISA-N 2 1 274.408 2.138 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000435876237 377812274 /nfs/dbraw/zinc/81/22/74/377812274.db2.gz HNRXOVJYPCKISU-UHFFFAOYSA-N 2 1 261.413 2.328 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000435876237 377812278 /nfs/dbraw/zinc/81/22/78/377812278.db2.gz HNRXOVJYPCKISU-UHFFFAOYSA-N 2 1 261.413 2.328 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000567058998 377797967 /nfs/dbraw/zinc/79/79/67/377797967.db2.gz KYJQEJCIEXLREQ-SJORKVTESA-N 2 1 290.451 2.405 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000567058998 377797972 /nfs/dbraw/zinc/79/79/72/377797972.db2.gz KYJQEJCIEXLREQ-SJORKVTESA-N 2 1 290.451 2.405 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000567058998 377797979 /nfs/dbraw/zinc/79/79/79/377797979.db2.gz KYJQEJCIEXLREQ-SJORKVTESA-N 2 1 290.451 2.405 20 0 CEADMP COCCOc1ccccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442926111 378019065 /nfs/dbraw/zinc/01/90/65/378019065.db2.gz XXGQZRBKFODYBN-OAHLLOKOSA-N 2 1 292.423 2.273 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)C1CCCC1 ZINC000443054846 378030404 /nfs/dbraw/zinc/03/04/04/378030404.db2.gz ALIHXXZXPPJDEZ-HNNXBMFYSA-N 2 1 295.471 2.227 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000443057840 378031959 /nfs/dbraw/zinc/03/19/59/378031959.db2.gz IHZJRBMOHPXOEV-CYBMUJFWSA-N 2 1 293.386 2.215 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000443066387 378032934 /nfs/dbraw/zinc/03/29/34/378032934.db2.gz DPYRDXTYRSARLV-MRXNPFEDSA-N 2 1 295.471 2.134 20 0 CEADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443069367 378033392 /nfs/dbraw/zinc/03/33/92/378033392.db2.gz JROHZHHZIFWVKM-LSDHHAIUSA-N 2 1 289.423 2.383 20 0 CEADMP C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443072600 378034957 /nfs/dbraw/zinc/03/49/57/378034957.db2.gz OGNZBKJQGLRRPL-QWRGUYRKSA-N 2 1 264.373 2.069 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC000447570841 378119159 /nfs/dbraw/zinc/11/91/59/378119159.db2.gz HTMUQOHIIWTDPI-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000447570841 378119165 /nfs/dbraw/zinc/11/91/65/378119165.db2.gz HTMUQOHIIWTDPI-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000447570841 378119169 /nfs/dbraw/zinc/11/91/69/378119169.db2.gz HTMUQOHIIWTDPI-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000447570841 378119177 /nfs/dbraw/zinc/11/91/77/378119177.db2.gz HTMUQOHIIWTDPI-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000447570841 378119184 /nfs/dbraw/zinc/11/91/84/378119184.db2.gz HTMUQOHIIWTDPI-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(C(C)(C)O)cc2)CC1 ZINC000295808033 378313096 /nfs/dbraw/zinc/31/30/96/378313096.db2.gz WPOVIJMJAHCSSF-UHFFFAOYSA-N 2 1 274.408 2.266 20 0 CEADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC([NH+](C)C)CC1 ZINC000450253729 378329178 /nfs/dbraw/zinc/32/91/78/378329178.db2.gz PRQRJGAKXJGCSL-QGZVFWFLSA-N 2 1 276.424 2.270 20 0 CEADMP CCc1cc(NC[C@@H]2CCCC[N@H+]2C2CC2)cc[nH+]1 ZINC000450482827 378442817 /nfs/dbraw/zinc/44/28/17/378442817.db2.gz HNUCQWWNVLIQIC-INIZCTEOSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1cnccc1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000296210350 378454964 /nfs/dbraw/zinc/45/49/64/378454964.db2.gz ZRVLBSAHNXHJRP-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cnccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000296210350 378454969 /nfs/dbraw/zinc/45/49/69/378454969.db2.gz ZRVLBSAHNXHJRP-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cnccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000296210350 378454981 /nfs/dbraw/zinc/45/49/81/378454981.db2.gz ZRVLBSAHNXHJRP-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCc2cscn2)C1 ZINC000450458651 378428913 /nfs/dbraw/zinc/42/89/13/378428913.db2.gz YSESFJBIGMZXIG-OAHLLOKOSA-N 2 1 297.468 2.118 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cscn2)[C@H](C)C1 ZINC000450563584 378477241 /nfs/dbraw/zinc/47/72/41/378477241.db2.gz ISYNUVFESKSDDK-OCCSQVGLSA-N 2 1 267.442 2.348 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cscn2)[C@H](C)C1 ZINC000450563584 378477245 /nfs/dbraw/zinc/47/72/45/378477245.db2.gz ISYNUVFESKSDDK-OCCSQVGLSA-N 2 1 267.442 2.348 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cscn2)[C@H](C)C1 ZINC000450563584 378477250 /nfs/dbraw/zinc/47/72/50/378477250.db2.gz ISYNUVFESKSDDK-OCCSQVGLSA-N 2 1 267.442 2.348 20 0 CEADMP COC(=O)C1(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000450722708 378548159 /nfs/dbraw/zinc/54/81/59/378548159.db2.gz AKKDRQQDIDGBPL-KGLIPLIRSA-N 2 1 294.439 2.182 20 0 CEADMP CCC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450723125 378548434 /nfs/dbraw/zinc/54/84/34/378548434.db2.gz BYZQJYFEEQRUOT-DZKIICNBSA-N 2 1 268.445 2.390 20 0 CEADMP CC[N@@H+]1CCC[C@@H]1CNCc1ccc(C(C)(C)O)cc1 ZINC000296761101 378638495 /nfs/dbraw/zinc/63/84/95/378638495.db2.gz QOWMWQWNFFJYSQ-MRXNPFEDSA-N 2 1 276.424 2.488 20 0 CEADMP CC[N@H+]1CCN(C[C@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC000450979506 378669140 /nfs/dbraw/zinc/66/91/40/378669140.db2.gz JDAKHEPWEHUFTB-HZPDHXFCSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC000450979506 378669146 /nfs/dbraw/zinc/66/91/46/378669146.db2.gz JDAKHEPWEHUFTB-HZPDHXFCSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC000450979506 378669150 /nfs/dbraw/zinc/66/91/50/378669150.db2.gz JDAKHEPWEHUFTB-HZPDHXFCSA-N 2 1 267.461 2.275 20 0 CEADMP C[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+](C2CC2)C1 ZINC000451094406 378706646 /nfs/dbraw/zinc/70/66/46/378706646.db2.gz PYINYNWHWXPTDH-MRXNPFEDSA-N 2 1 279.472 2.279 20 0 CEADMP C[C@@H](O)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298534858 378758546 /nfs/dbraw/zinc/75/85/46/378758546.db2.gz SJOJZXGSXKNYEV-CYBMUJFWSA-N 2 1 274.408 2.456 20 0 CEADMP C[C@H](Cc1cnccn1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000453112507 378806922 /nfs/dbraw/zinc/80/69/22/378806922.db2.gz DCHBEJUQDZKRMJ-GDBMZVCRSA-N 2 1 288.439 2.262 20 0 CEADMP C[C@H](Cc1cnccn1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000453112507 378806927 /nfs/dbraw/zinc/80/69/27/378806927.db2.gz DCHBEJUQDZKRMJ-GDBMZVCRSA-N 2 1 288.439 2.262 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453118050 378810379 /nfs/dbraw/zinc/81/03/79/378810379.db2.gz VBMFGAUGUJKZCG-IAGOWNOFSA-N 2 1 280.456 2.392 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)C[C@H]12 ZINC000346829885 218029181 /nfs/dbraw/zinc/02/91/81/218029181.db2.gz OJGOLZNGHFKVKN-WCFLWFBJSA-N 2 1 288.420 2.307 20 0 CEADMP CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000453261415 378846114 /nfs/dbraw/zinc/84/61/14/378846114.db2.gz RMZJNWFQUTVSRU-IJLUTSLNSA-N 2 1 282.350 2.416 20 0 CEADMP CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000453261415 378846120 /nfs/dbraw/zinc/84/61/20/378846120.db2.gz RMZJNWFQUTVSRU-IJLUTSLNSA-N 2 1 282.350 2.416 20 0 CEADMP COc1ncc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000453280064 378853067 /nfs/dbraw/zinc/85/30/67/378853067.db2.gz AYUJHXUPGAYXNG-GWCFXTLKSA-N 2 1 283.803 2.173 20 0 CEADMP COc1ncc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000453280064 378853072 /nfs/dbraw/zinc/85/30/72/378853072.db2.gz AYUJHXUPGAYXNG-GWCFXTLKSA-N 2 1 283.803 2.173 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000346848859 218036147 /nfs/dbraw/zinc/03/61/47/218036147.db2.gz OKARJAQSWLXARN-SOUVJXGZSA-N 2 1 290.407 2.263 20 0 CEADMP c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000346856501 218038317 /nfs/dbraw/zinc/03/83/17/218038317.db2.gz PKLIXTQEXMEFFI-GDBMZVCRSA-N 2 1 259.397 2.172 20 0 CEADMP Cc1cccnc1CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000453311232 378860402 /nfs/dbraw/zinc/86/04/02/378860402.db2.gz SBTLBYGYZUONNV-HOCLYGCPSA-N 2 1 261.413 2.252 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC2CCC2)[C@H](C)C1 ZINC000346971854 218073658 /nfs/dbraw/zinc/07/36/58/218073658.db2.gz BMNSAEAGVBLMNG-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC2CCC2)[C@H](C)C1 ZINC000346971854 218073660 /nfs/dbraw/zinc/07/36/60/218073660.db2.gz BMNSAEAGVBLMNG-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC2CCC2)[C@H](C)C1 ZINC000346971854 218073661 /nfs/dbraw/zinc/07/36/61/218073661.db2.gz BMNSAEAGVBLMNG-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cc(-c2cccnc2)n[nH]1)C1CC1 ZINC000453597907 378916338 /nfs/dbraw/zinc/91/63/38/378916338.db2.gz OQXHSYQEJDAWQT-UHFFFAOYSA-N 2 1 299.422 2.436 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000346997826 218085790 /nfs/dbraw/zinc/08/57/90/218085790.db2.gz XXXYCBLBCWGOFO-MCIONIFRSA-N 2 1 254.443 2.346 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000346997826 218085792 /nfs/dbraw/zinc/08/57/92/218085792.db2.gz XXXYCBLBCWGOFO-MCIONIFRSA-N 2 1 254.443 2.346 20 0 CEADMP CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000360957122 284731206 /nfs/dbraw/zinc/73/12/06/284731206.db2.gz OGEWACKJMQQROV-HZPDHXFCSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)Cc1ncc(C[N@@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000347049169 218104457 /nfs/dbraw/zinc/10/44/57/218104457.db2.gz QEJPXENGPCOTQW-LLVKDONJSA-N 2 1 253.415 2.122 20 0 CEADMP CC(C)Cc1ncc(C[N@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000347049169 218104460 /nfs/dbraw/zinc/10/44/60/218104460.db2.gz QEJPXENGPCOTQW-LLVKDONJSA-N 2 1 253.415 2.122 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000347093335 218118575 /nfs/dbraw/zinc/11/85/75/218118575.db2.gz GUMJCLVBAVHDAN-LLVKDONJSA-N 2 1 256.296 2.069 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000347101686 218120854 /nfs/dbraw/zinc/12/08/54/218120854.db2.gz LEOSWGCQDNRYGX-AWEZNQCLSA-N 2 1 272.396 2.005 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000347101686 218120855 /nfs/dbraw/zinc/12/08/55/218120855.db2.gz LEOSWGCQDNRYGX-AWEZNQCLSA-N 2 1 272.396 2.005 20 0 CEADMP C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000347111615 218125715 /nfs/dbraw/zinc/12/57/15/218125715.db2.gz RAPVDSGBKHOHPW-UHFFFAOYSA-N 2 1 288.370 2.400 20 0 CEADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000347111615 218125717 /nfs/dbraw/zinc/12/57/17/218125717.db2.gz RAPVDSGBKHOHPW-UHFFFAOYSA-N 2 1 288.370 2.400 20 0 CEADMP C[C@@H](NC(=O)[C@H]1CCCN1C)c1cccc(-n2ccnc2)c1 ZINC000266340522 190250121 /nfs/dbraw/zinc/25/01/21/190250121.db2.gz YFTYOQDFODJNDL-CZUORRHYSA-N 2 1 298.390 2.144 20 0 CEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000497087807 379046836 /nfs/dbraw/zinc/04/68/36/379046836.db2.gz HNZILDRSCOWKIF-IAQYHMDHSA-N 2 1 289.379 2.031 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000347426108 218229727 /nfs/dbraw/zinc/22/97/27/218229727.db2.gz KGMYLCXNTGFQJR-UONOGXRCSA-N 2 1 284.444 2.428 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccnc1 ZINC000278759878 194141711 /nfs/dbraw/zinc/14/17/11/194141711.db2.gz XJJKZATYYGIZKQ-GJZGRUSLSA-N 2 1 277.412 2.233 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccnc1 ZINC000278759878 194141713 /nfs/dbraw/zinc/14/17/13/194141713.db2.gz XJJKZATYYGIZKQ-GJZGRUSLSA-N 2 1 277.412 2.233 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC2(O)CCCC2)C1 ZINC000514931952 379165670 /nfs/dbraw/zinc/16/56/70/379165670.db2.gz KOYCCRLKNNTPRV-AWEZNQCLSA-N 2 1 254.418 2.002 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000347511888 218259962 /nfs/dbraw/zinc/25/99/62/218259962.db2.gz CNASMTOELWPESW-RBSFLKMASA-N 2 1 297.487 2.390 20 0 CEADMP CC(C)n1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)nn1 ZINC000347634527 218299518 /nfs/dbraw/zinc/29/95/18/218299518.db2.gz FZZXUQBMJMQRLN-UHFFFAOYSA-N 2 1 279.432 2.023 20 0 CEADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000266823806 190282469 /nfs/dbraw/zinc/28/24/69/190282469.db2.gz CRHWRTLOBOAHLW-AWEZNQCLSA-N 2 1 262.397 2.184 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000523120719 379584848 /nfs/dbraw/zinc/58/48/48/379584848.db2.gz ADXAQTKROYEGFY-QKPAOTATSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000523120719 379584854 /nfs/dbraw/zinc/58/48/54/379584854.db2.gz ADXAQTKROYEGFY-QKPAOTATSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000523120719 379584863 /nfs/dbraw/zinc/58/48/63/379584863.db2.gz ADXAQTKROYEGFY-QKPAOTATSA-N 2 1 295.471 2.094 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457087904 379659590 /nfs/dbraw/zinc/65/95/90/379659590.db2.gz JVIIKUNYSAIUOW-KGLIPLIRSA-N 2 1 283.460 2.094 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000334203967 380253464 /nfs/dbraw/zinc/25/34/64/380253464.db2.gz RNYXWZMFRWUKPW-HNNXBMFYSA-N 2 1 264.413 2.187 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H](O)C(F)(F)F ZINC000537096624 380237495 /nfs/dbraw/zinc/23/74/95/380237495.db2.gz FICWIWGGDNYGJI-OLZOCXBDSA-N 2 1 294.361 2.152 20 0 CEADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccn(C)n1 ZINC000543594013 380330932 /nfs/dbraw/zinc/33/09/32/380330932.db2.gz FPQGKURVPABYFY-CQSZACIVSA-N 2 1 275.400 2.446 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cn1 ZINC000279096338 194282311 /nfs/dbraw/zinc/28/23/11/194282311.db2.gz NYTAYOBVFJPDOA-UHFFFAOYSA-N 2 1 290.411 2.002 20 0 CEADMP CC[N@H+]1CCN(C(=O)c2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000334437105 380410769 /nfs/dbraw/zinc/41/07/69/380410769.db2.gz QSZXQLSIYOMXEO-AWEZNQCLSA-N 2 1 298.390 2.039 20 0 CEADMP CCN1CCN(C(=O)c2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000334437105 380410777 /nfs/dbraw/zinc/41/07/77/380410777.db2.gz QSZXQLSIYOMXEO-AWEZNQCLSA-N 2 1 298.390 2.039 20 0 CEADMP C[C@@H]1CN(C(=O)CC[NH+](C)C2CCCCC2)[C@@H](C)C[N@H+]1C ZINC000548392363 380508553 /nfs/dbraw/zinc/50/85/53/380508553.db2.gz OCXUBSUKQYYUSW-CABCVRRESA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H](C)C[NH+]1C ZINC000548392363 380508565 /nfs/dbraw/zinc/50/85/65/380508565.db2.gz OCXUBSUKQYYUSW-CABCVRRESA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](C)C[NH+]1C ZINC000548392363 380508571 /nfs/dbraw/zinc/50/85/71/380508571.db2.gz OCXUBSUKQYYUSW-CABCVRRESA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000359763701 220275541 /nfs/dbraw/zinc/27/55/41/220275541.db2.gz PBBYUQFUMPZLEA-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000548063966 380481991 /nfs/dbraw/zinc/48/19/91/380481991.db2.gz UCJIDDFZQQRISL-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000548063966 380481998 /nfs/dbraw/zinc/48/19/98/380481998.db2.gz UCJIDDFZQQRISL-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000548063966 380481999 /nfs/dbraw/zinc/48/19/99/380481999.db2.gz UCJIDDFZQQRISL-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cscn2)C1 ZINC000334555004 380583147 /nfs/dbraw/zinc/58/31/47/380583147.db2.gz DZMWDXLWMWBRPC-WCQYABFASA-N 2 1 251.399 2.059 20 0 CEADMP COc1ncc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1Cl ZINC000551517742 380644776 /nfs/dbraw/zinc/64/47/76/380644776.db2.gz ROMWAFZWSZKUAV-JTQLQIEISA-N 2 1 294.786 2.370 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1-n1ccnn1 ZINC000552043991 380679327 /nfs/dbraw/zinc/67/93/27/380679327.db2.gz JUUFKDJGWSRIKV-CABCVRRESA-N 2 1 299.422 2.260 20 0 CEADMP CN(C[C@@H](O)C[N@@H+]1CCc2ccccc2C1(C)C)C1CC1 ZINC000554936191 380803892 /nfs/dbraw/zinc/80/38/92/380803892.db2.gz PHHWBTCAXDAFHA-MRXNPFEDSA-N 2 1 288.435 2.235 20 0 CEADMP CN(C[C@@H](O)C[N@H+]1CCc2ccccc2C1(C)C)C1CC1 ZINC000554936191 380803898 /nfs/dbraw/zinc/80/38/98/380803898.db2.gz PHHWBTCAXDAFHA-MRXNPFEDSA-N 2 1 288.435 2.235 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)ccn1 ZINC000580602407 322329674 /nfs/dbraw/zinc/32/96/74/322329674.db2.gz FNKRPTLKHPIZTK-RYUDHWBXSA-N 2 1 251.374 2.081 20 0 CEADMP COc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000580639975 322331926 /nfs/dbraw/zinc/33/19/26/322331926.db2.gz ZVPOBYLNFAKSID-JQWIXIFHSA-N 2 1 283.803 2.221 20 0 CEADMP Cc1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000334882530 207239164 /nfs/dbraw/zinc/23/91/64/207239164.db2.gz NWFNEDLUGSGLEB-FOSCPWQOSA-N 2 1 251.399 2.133 20 0 CEADMP Cn1c2ccccc2[nH+]c1NC1CCC([NH+](C)C)CC1 ZINC000334967118 207380641 /nfs/dbraw/zinc/38/06/41/207380641.db2.gz LULZWISMRDPNFM-UHFFFAOYSA-N 2 1 272.396 2.280 20 0 CEADMP C[C@@H]1COc2ccccc2C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000334967755 207381495 /nfs/dbraw/zinc/38/14/95/207381495.db2.gz JRXAPSJSDAWWEU-KGLIPLIRSA-N 2 1 260.381 2.269 20 0 CEADMP C[NH+](C)C1CCC(Nc2cc[nH+]cc2Cl)CC1 ZINC000334968243 207382208 /nfs/dbraw/zinc/38/22/08/207382208.db2.gz QMUYAWJVSOQXBL-UHFFFAOYSA-N 2 1 253.777 2.442 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334969671 207385810 /nfs/dbraw/zinc/38/58/10/207385810.db2.gz XGYOFFCUQOGBMV-HIFRSBDPSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334969671 207385822 /nfs/dbraw/zinc/38/58/22/207385822.db2.gz XGYOFFCUQOGBMV-HIFRSBDPSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)cn2c1 ZINC000335035316 207513365 /nfs/dbraw/zinc/51/33/65/207513365.db2.gz UVWPYGLGMFRYBK-UKRRQHHQSA-N 2 1 272.396 2.120 20 0 CEADMP CC1(C)Cc2cccc(C[NH2+]C3CC[NH2+]CC3)c2O1 ZINC000335252976 208033014 /nfs/dbraw/zinc/03/30/14/208033014.db2.gz UODADUPSCFWNOH-UHFFFAOYSA-N 2 1 260.381 2.242 20 0 CEADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000335253221 208033269 /nfs/dbraw/zinc/03/32/69/208033269.db2.gz RSGSPFQVTIASAO-CYBMUJFWSA-N 2 1 280.437 2.244 20 0 CEADMP Cc1csc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)n1 ZINC000335278688 208086897 /nfs/dbraw/zinc/08/68/97/208086897.db2.gz NFOVOMAHQPIANW-GFCCVEGCSA-N 2 1 265.426 2.416 20 0 CEADMP Cc1cccc(CC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)n1 ZINC000335365076 208282722 /nfs/dbraw/zinc/28/27/22/208282722.db2.gz HKLRYOKRXUYMGP-KRWDZBQOSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1cccc(CC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)n1 ZINC000335365076 208282727 /nfs/dbraw/zinc/28/27/27/208282727.db2.gz HKLRYOKRXUYMGP-KRWDZBQOSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1cccc(CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)n1 ZINC000335365076 208282733 /nfs/dbraw/zinc/28/27/33/208282733.db2.gz HKLRYOKRXUYMGP-KRWDZBQOSA-N 2 1 273.424 2.350 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2=CCCOC2)C[C@H]1C ZINC000353752704 220307140 /nfs/dbraw/zinc/30/71/40/220307140.db2.gz UBAZOSBSKSUISP-HIFRSBDPSA-N 2 1 252.402 2.138 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2=CCCOC2)C[C@H]1C ZINC000353752704 220307144 /nfs/dbraw/zinc/30/71/44/220307144.db2.gz UBAZOSBSKSUISP-HIFRSBDPSA-N 2 1 252.402 2.138 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2=CCCOC2)C[C@H]1C ZINC000353752704 220307147 /nfs/dbraw/zinc/30/71/47/220307147.db2.gz UBAZOSBSKSUISP-HIFRSBDPSA-N 2 1 252.402 2.138 20 0 CEADMP Cc1[nH+]ccc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1Cl ZINC000350284527 219005216 /nfs/dbraw/zinc/00/52/16/219005216.db2.gz AYJFFZPYTGMVIS-ZDUSSCGKSA-N 2 1 297.830 2.234 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000337386524 285145259 /nfs/dbraw/zinc/14/52/59/285145259.db2.gz ICOXNQBVHMFDSY-BBRMVZONSA-N 2 1 266.429 2.408 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337510077 285146602 /nfs/dbraw/zinc/14/66/02/285146602.db2.gz IGRVOYUFODHYTH-FZKCQIBNSA-N 2 1 266.429 2.408 20 0 CEADMP OCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159047067 285254073 /nfs/dbraw/zinc/25/40/73/285254073.db2.gz GHTBWTOFCVHCEL-MSOLQXFVSA-N 2 1 288.435 2.355 20 0 CEADMP OCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159047067 285254076 /nfs/dbraw/zinc/25/40/76/285254076.db2.gz GHTBWTOFCVHCEL-MSOLQXFVSA-N 2 1 288.435 2.355 20 0 CEADMP OCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159047067 285254080 /nfs/dbraw/zinc/25/40/80/285254080.db2.gz GHTBWTOFCVHCEL-MSOLQXFVSA-N 2 1 288.435 2.355 20 0 CEADMP C[NH+](C)C/C=C/C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281725773 195353527 /nfs/dbraw/zinc/35/35/27/195353527.db2.gz RPPFGNJAIVFDFG-AATRIKPKSA-N 2 1 295.814 2.458 20 0 CEADMP COCc1cnc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000357371595 533264657 /nfs/dbraw/zinc/26/46/57/533264657.db2.gz RCRMFCOYXMORPJ-LLVKDONJSA-N 2 1 294.424 2.220 20 0 CEADMP COc1cccc(C[NH2+]C2CC[NH2+]CC2)c1OC(C)C ZINC000414795832 533510259 /nfs/dbraw/zinc/51/02/59/533510259.db2.gz XGBPTTDUIICEMX-UHFFFAOYSA-N 2 1 278.396 2.324 20 0 CEADMP Oc1cc(F)cc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000366748515 130050942 /nfs/dbraw/zinc/05/09/42/130050942.db2.gz BJYURLOVNGZOAJ-NSHDSACASA-N 2 1 275.327 2.080 20 0 CEADMP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000366757631 130210424 /nfs/dbraw/zinc/21/04/24/130210424.db2.gz LGFKJCZKGMNQMX-QGZVFWFLSA-N 2 1 276.424 2.355 20 0 CEADMP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000366757631 130210425 /nfs/dbraw/zinc/21/04/25/130210425.db2.gz LGFKJCZKGMNQMX-QGZVFWFLSA-N 2 1 276.424 2.355 20 0 CEADMP C[C@H](CNc1[nH+]cnc2[nH]ccc21)C[NH+]1CCCCC1 ZINC000263822323 131338954 /nfs/dbraw/zinc/33/89/54/131338954.db2.gz YLLNTIKASINENI-GFCCVEGCSA-N 2 1 273.384 2.492 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000299980347 394453285 /nfs/dbraw/zinc/45/32/85/394453285.db2.gz FTSYXOPBUYKTPD-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000302352059 394474841 /nfs/dbraw/zinc/47/48/41/394474841.db2.gz BSSNUCYHTSUJRQ-CQSZACIVSA-N 2 1 285.391 2.046 20 0 CEADMP CC[C@H]1C[C@H](C[NH2+]CC2=CC[N@@H+](C)CC2)CCO1 ZINC000355686783 394502050 /nfs/dbraw/zinc/50/20/50/394502050.db2.gz VNLFRKKMBQDVNC-CABCVRRESA-N 2 1 252.402 2.043 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCOC1 ZINC000247129174 394527069 /nfs/dbraw/zinc/52/70/69/394527069.db2.gz ROYPYCOTURTYEY-QKPAOTATSA-N 2 1 268.445 2.369 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)C[C@H]1CCC[N@H+]1C ZINC000421411224 394527501 /nfs/dbraw/zinc/52/75/01/394527501.db2.gz QGDYMWHUMNVSSE-QGZVFWFLSA-N 2 1 299.422 2.102 20 0 CEADMP CCOC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000313211551 394542461 /nfs/dbraw/zinc/54/24/61/394542461.db2.gz KCRPBOHSQSDQDJ-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP CCCC(CCC)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666387 394658459 /nfs/dbraw/zinc/65/84/59/394658459.db2.gz QZMSHCQTYQNVAF-HUUCEWRRSA-N 2 1 254.418 2.408 20 0 CEADMP CCCC(CCC)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666387 394658460 /nfs/dbraw/zinc/65/84/60/394658460.db2.gz QZMSHCQTYQNVAF-HUUCEWRRSA-N 2 1 254.418 2.408 20 0 CEADMP C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCCCO1 ZINC000257731738 394597653 /nfs/dbraw/zinc/59/76/53/394597653.db2.gz XHOFRVVCJSTQDY-AWEZNQCLSA-N 2 1 252.402 2.021 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000334232374 394666591 /nfs/dbraw/zinc/66/65/91/394666591.db2.gz MUUSNGIRQFGYNO-GUYCJALGSA-N 2 1 258.409 2.331 20 0 CEADMP COC1([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCCC1 ZINC000421850160 394615423 /nfs/dbraw/zinc/61/54/23/394615423.db2.gz CZQVZUZLLAMBSQ-CVEARBPZSA-N 2 1 298.471 2.425 20 0 CEADMP CC(C)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000076521580 394618737 /nfs/dbraw/zinc/61/87/37/394618737.db2.gz UQACMQTUGOFMGS-GOSISDBHSA-N 2 1 287.451 2.290 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421872247 394623059 /nfs/dbraw/zinc/62/30/59/394623059.db2.gz GPFNOTAOQAVNCK-KBJXHQRYSA-N 3 1 267.461 2.178 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421872247 394623062 /nfs/dbraw/zinc/62/30/62/394623062.db2.gz GPFNOTAOQAVNCK-KBJXHQRYSA-N 2 1 267.461 2.178 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263201397 394627496 /nfs/dbraw/zinc/62/74/96/394627496.db2.gz JBUCZXFVYXUBMY-ZMSDIMECSA-N 2 1 295.471 2.227 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356907438 394649263 /nfs/dbraw/zinc/64/92/63/394649263.db2.gz XAEBVEWEEJFSAZ-HIFRSBDPSA-N 2 1 265.401 2.376 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335038774 394729850 /nfs/dbraw/zinc/72/98/50/394729850.db2.gz OWBZBCGVOHVBCW-CJNGLKHVSA-N 2 1 273.424 2.475 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422713337 394734255 /nfs/dbraw/zinc/73/42/55/394734255.db2.gz JKTPVZWEGQUDIS-HOTGVXAUSA-N 3 1 267.461 2.230 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000422722716 394739996 /nfs/dbraw/zinc/73/99/96/394739996.db2.gz YOPMAEFCBALFAG-STQMWFEESA-N 2 1 254.761 2.188 20 0 CEADMP C[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)C1C[NH2+]C1 ZINC000422727957 394743003 /nfs/dbraw/zinc/74/30/03/394743003.db2.gz DVKGKVJWWWZOSM-SNVBAGLBSA-N 2 1 288.313 2.325 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)CCO1 ZINC000356988049 394673413 /nfs/dbraw/zinc/67/34/13/394673413.db2.gz WFDXTKOSJAUABU-FPCVCCKLSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)CCO1 ZINC000356988049 394673415 /nfs/dbraw/zinc/67/34/15/394673415.db2.gz WFDXTKOSJAUABU-FPCVCCKLSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)CCO1 ZINC000356988049 394673419 /nfs/dbraw/zinc/67/34/19/394673419.db2.gz WFDXTKOSJAUABU-FPCVCCKLSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CCO1 ZINC000356988049 394673422 /nfs/dbraw/zinc/67/34/22/394673422.db2.gz WFDXTKOSJAUABU-FPCVCCKLSA-N 2 1 266.429 2.218 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)c1C ZINC000357042315 394689839 /nfs/dbraw/zinc/68/98/39/394689839.db2.gz SHGVDUUAAXAPAX-KGLIPLIRSA-N 2 1 277.412 2.231 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1C ZINC000357042315 394689842 /nfs/dbraw/zinc/68/98/42/394689842.db2.gz SHGVDUUAAXAPAX-KGLIPLIRSA-N 2 1 277.412 2.231 20 0 CEADMP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000268751710 394698615 /nfs/dbraw/zinc/69/86/15/394698615.db2.gz VNYQCPQMUIYGFE-CABCVRRESA-N 2 1 292.423 2.032 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000268863238 394701803 /nfs/dbraw/zinc/70/18/03/394701803.db2.gz ZOKVQYICPCQOQY-MRXNPFEDSA-N 2 1 280.387 2.371 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000268952490 394704011 /nfs/dbraw/zinc/70/40/11/394704011.db2.gz CMZTXAMIGDQQBV-QHSBEEBCSA-N 2 1 282.453 2.274 20 0 CEADMP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[NH3+])N(C)C)cc1 ZINC000422733499 394746533 /nfs/dbraw/zinc/74/65/33/394746533.db2.gz QWNKADBLXFECIH-ZACQAIPSSA-N 2 1 275.440 2.321 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422734136 394746655 /nfs/dbraw/zinc/74/66/55/394746655.db2.gz RZQPQBVNAOKXLP-ILXRZTDVSA-N 2 1 255.450 2.227 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422738466 394749561 /nfs/dbraw/zinc/74/95/61/394749561.db2.gz YVLIHFMSXAAFTH-OWCLPIDISA-N 2 1 267.461 2.371 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCOCC1 ZINC000358180532 394711532 /nfs/dbraw/zinc/71/15/32/394711532.db2.gz AKCKPNHKZGXXOO-KGLIPLIRSA-N 2 1 284.469 2.115 20 0 CEADMP Cc1ccn2c(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cnc2c1 ZINC000422562056 394711776 /nfs/dbraw/zinc/71/17/76/394711776.db2.gz PDCHLFMQUYFOMG-KKUMJFAQSA-N 2 1 286.423 2.448 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1C[NH3+] ZINC000422564955 394712534 /nfs/dbraw/zinc/71/25/34/394712534.db2.gz XCEGYNHZGGVEMO-UMVBOHGHSA-N 2 1 278.444 2.443 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1C[NH3+] ZINC000422564955 394712537 /nfs/dbraw/zinc/71/25/37/394712537.db2.gz XCEGYNHZGGVEMO-UMVBOHGHSA-N 2 1 278.444 2.443 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000414132863 394712763 /nfs/dbraw/zinc/71/27/63/394712763.db2.gz BCUSDSNLVRFEEN-ARILJUKYSA-N 2 1 254.418 2.261 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(-n3cncn3)cc2)C[C@@H]1C[NH3+] ZINC000422563632 394712927 /nfs/dbraw/zinc/71/29/27/394712927.db2.gz UAAKQTXUFLBSFZ-YCPHGPKFSA-N 2 1 299.422 2.073 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1C[NH3+] ZINC000422564954 394713012 /nfs/dbraw/zinc/71/30/12/394713012.db2.gz XCEGYNHZGGVEMO-NFAWXSAZSA-N 2 1 278.444 2.443 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@@H]1C[NH3+] ZINC000422564954 394713013 /nfs/dbraw/zinc/71/30/13/394713013.db2.gz XCEGYNHZGGVEMO-NFAWXSAZSA-N 2 1 278.444 2.443 20 0 CEADMP CC(C)[N@H+]1CCc2nc(CNC(C)(C)CC[NH3+])sc2C1 ZINC000422565108 394713688 /nfs/dbraw/zinc/71/36/88/394713688.db2.gz XMCGAHWJVVBAQD-UHFFFAOYSA-N 2 1 296.484 2.127 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)no1 ZINC000414194685 394727756 /nfs/dbraw/zinc/72/77/56/394727756.db2.gz UOPDZJUFRQAKLK-QWHCGFSZSA-N 2 1 251.374 2.366 20 0 CEADMP CN(C)Cc1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])ccc1F ZINC000422740207 394750796 /nfs/dbraw/zinc/75/07/96/394750796.db2.gz BBJFRUNDHQFSJE-XJKSGUPXSA-N 2 1 279.403 2.104 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H]2CCCCC[C@@H]2N)CC1 ZINC000422741556 394751828 /nfs/dbraw/zinc/75/18/28/394751828.db2.gz OVYRBCARCYSENU-HOTGVXAUSA-N 2 1 267.461 2.358 20 0 CEADMP CC[NH2+]CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414822745 394753282 /nfs/dbraw/zinc/75/32/82/394753282.db2.gz GVGIWGWWTQWRAM-OKZBNKHCSA-N 2 1 287.451 2.096 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422744203 394754536 /nfs/dbraw/zinc/75/45/36/394754536.db2.gz SONSBYDEAWTTII-BZUAXINKSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422744625 394754680 /nfs/dbraw/zinc/75/46/80/394754680.db2.gz KKFGIJAHJBBVAD-VYDXJSESSA-N 2 1 273.424 2.386 20 0 CEADMP COc1ccccc1[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000422748155 394756303 /nfs/dbraw/zinc/75/63/03/394756303.db2.gz SGVGMJNYKVIFHT-CWRNSKLLSA-N 2 1 291.439 2.028 20 0 CEADMP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CC2(CCC2)O1 ZINC000335464295 394768446 /nfs/dbraw/zinc/76/84/46/394768446.db2.gz OUPGDOBPEXOGQM-ZIAGYGMSSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CC2(CCC2)O1 ZINC000335464295 394768447 /nfs/dbraw/zinc/76/84/47/394768447.db2.gz OUPGDOBPEXOGQM-ZIAGYGMSSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CC2(CCC2)O1 ZINC000335464295 394768448 /nfs/dbraw/zinc/76/84/48/394768448.db2.gz OUPGDOBPEXOGQM-ZIAGYGMSSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CC2(CCC2)O1 ZINC000335464295 394768449 /nfs/dbraw/zinc/76/84/49/394768449.db2.gz OUPGDOBPEXOGQM-ZIAGYGMSSA-N 2 1 252.402 2.114 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000414848921 394769056 /nfs/dbraw/zinc/76/90/56/394769056.db2.gz XPQIBJPUULTBNG-OAHLLOKOSA-N 2 1 275.440 2.096 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414856418 394773527 /nfs/dbraw/zinc/77/35/27/394773527.db2.gz YZVYCQMPLPONLB-ZDUSSCGKSA-N 2 1 260.385 2.036 20 0 CEADMP Cn1nnc2cc(C[NH2+]CC3([NH3+])CCCCCC3)ccc21 ZINC000414857237 394773924 /nfs/dbraw/zinc/77/39/24/394773924.db2.gz CAUPXBNTWTZNFO-UHFFFAOYSA-N 2 1 287.411 2.110 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422773777 394774243 /nfs/dbraw/zinc/77/42/43/394774243.db2.gz ZEVPVHIDLOOONW-NWDGAFQWSA-N 2 1 256.296 2.257 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000422772806 394774643 /nfs/dbraw/zinc/77/46/43/394774643.db2.gz ZPRORLCDFIMQBV-ZIAGYGMSSA-N 2 1 257.466 2.460 20 0 CEADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414859493 394775160 /nfs/dbraw/zinc/77/51/60/394775160.db2.gz AYGKKYLMUVMGAS-TZMCWYRMSA-N 2 1 250.361 2.488 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000414863330 394776940 /nfs/dbraw/zinc/77/69/40/394776940.db2.gz IKONGGTZBIAXRB-UKRRQHHQSA-N 2 1 262.397 2.358 20 0 CEADMP COCC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CCC1 ZINC000361319013 394823625 /nfs/dbraw/zinc/82/36/25/394823625.db2.gz SQJLMEKPDPVGCD-LSDHHAIUSA-N 2 1 266.429 2.219 20 0 CEADMP COCC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CCC1 ZINC000361319013 394823630 /nfs/dbraw/zinc/82/36/30/394823630.db2.gz SQJLMEKPDPVGCD-LSDHHAIUSA-N 2 1 266.429 2.219 20 0 CEADMP COCC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CCC1 ZINC000361319013 394823635 /nfs/dbraw/zinc/82/36/35/394823635.db2.gz SQJLMEKPDPVGCD-LSDHHAIUSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000422779341 394778412 /nfs/dbraw/zinc/77/84/12/394778412.db2.gz IGNSNNCPRGDHSC-ZACQAIPSSA-N 2 1 275.440 2.315 20 0 CEADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)Oc1cccc(F)c1 ZINC000422780736 394779236 /nfs/dbraw/zinc/77/92/36/394779236.db2.gz DHIYFSOSUMVOMS-JMSVASOKSA-N 2 1 266.360 2.323 20 0 CEADMP C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)C1C[NH2+]C1 ZINC000422781845 394780624 /nfs/dbraw/zinc/78/06/24/394780624.db2.gz LDHKHVYSGGUUDI-VBNZEHGJSA-N 2 1 260.381 2.104 20 0 CEADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[NH2+]C2)cc1F ZINC000414870851 394781078 /nfs/dbraw/zinc/78/10/78/394781078.db2.gz SXPUAOFQJHXWOF-GXTWGEPZSA-N 2 1 280.387 2.355 20 0 CEADMP COCC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CCC1 ZINC000361319012 394823853 /nfs/dbraw/zinc/82/38/53/394823853.db2.gz SQJLMEKPDPVGCD-HUUCEWRRSA-N 2 1 266.429 2.219 20 0 CEADMP COCC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCC1 ZINC000361319012 394823856 /nfs/dbraw/zinc/82/38/56/394823856.db2.gz SQJLMEKPDPVGCD-HUUCEWRRSA-N 2 1 266.429 2.219 20 0 CEADMP COCC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCC1 ZINC000361319012 394823859 /nfs/dbraw/zinc/82/38/59/394823859.db2.gz SQJLMEKPDPVGCD-HUUCEWRRSA-N 2 1 266.429 2.219 20 0 CEADMP CCC[NH2+]CCN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414872851 394781642 /nfs/dbraw/zinc/78/16/42/394781642.db2.gz QJTZNUPDQCSLDC-DOTOQJQBSA-N 2 1 275.440 2.411 20 0 CEADMP CCC[NH2+]CC[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000414873444 394782210 /nfs/dbraw/zinc/78/22/10/394782210.db2.gz RFJWQPAPGZCKCQ-ZDUSSCGKSA-N 2 1 278.396 2.326 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000273126394 394784567 /nfs/dbraw/zinc/78/45/67/394784567.db2.gz QOYXPUKCLGJZMM-HNNXBMFYSA-N 2 1 277.343 2.044 20 0 CEADMP CC[NH+](CC)Cc1ccc(CN[C@H](C)C2C[NH2+]C2)cc1 ZINC000422786083 394784968 /nfs/dbraw/zinc/78/49/68/394784968.db2.gz OIQLULYUBMBUIF-CQSZACIVSA-N 2 1 275.440 2.226 20 0 CEADMP COc1cccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000414880150 394785704 /nfs/dbraw/zinc/78/57/04/394785704.db2.gz QETWBCQLBJTGFJ-UHFFFAOYSA-N 2 1 285.391 2.360 20 0 CEADMP [NH3+]C1(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000414886435 394789252 /nfs/dbraw/zinc/78/92/52/394789252.db2.gz YDSYRVYPRPFNKP-RCCFBDPRSA-N 2 1 299.462 2.368 20 0 CEADMP C[C@H](CC[NH3+])[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000414893184 394792295 /nfs/dbraw/zinc/79/22/95/394792295.db2.gz YBRLXNVICRSEDO-SECBINFHSA-N 2 1 266.776 2.054 20 0 CEADMP COc1ccc(O[C@@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422795788 394792746 /nfs/dbraw/zinc/79/27/46/394792746.db2.gz WPWSSJABVNMDAB-ZENOOKHLSA-N 2 1 278.396 2.193 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1ccc(F)c(Br)c1)C1CC1 ZINC000414894382 394792877 /nfs/dbraw/zinc/79/28/77/394792877.db2.gz LGSCTADCKWKMBF-LBPRGKRZSA-N 2 1 287.176 2.415 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000414893476 394792886 /nfs/dbraw/zinc/79/28/86/394792886.db2.gz KIQWNTPKYJRLOG-OAHLLOKOSA-N 2 1 270.380 2.212 20 0 CEADMP C[C@]1(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CCC[NH2+]C1 ZINC000414900752 394795664 /nfs/dbraw/zinc/79/56/64/394795664.db2.gz IWSQJXMKXYBGRQ-HIFRSBDPSA-N 2 1 295.452 2.474 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@H]3CCO[C@H]3C)CC2)[nH+]c1 ZINC000121336583 394796743 /nfs/dbraw/zinc/79/67/43/394796743.db2.gz LFBOPLISEVDCOX-ZFWWWQNUSA-N 2 1 275.396 2.126 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](N[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000414908284 394799456 /nfs/dbraw/zinc/79/94/56/394799456.db2.gz BFQBXSCFWLPEHR-WJFTUGDTSA-N 2 1 299.462 2.239 20 0 CEADMP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422805525 394800091 /nfs/dbraw/zinc/80/00/91/394800091.db2.gz JHKDIKQZYFPHDA-IRXDYDNUSA-N 3 1 275.440 2.498 20 0 CEADMP Fc1cc(F)cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422808011 394800964 /nfs/dbraw/zinc/80/09/64/394800964.db2.gz PRFRAVGSVYJNFG-HRCADAONSA-N 2 1 296.361 2.212 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]1 ZINC000422810346 394802695 /nfs/dbraw/zinc/80/26/95/394802695.db2.gz RPQAIRVENIFAOY-ZNMIVQPWSA-N 2 1 260.381 2.110 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000422810441 394802814 /nfs/dbraw/zinc/80/28/14/394802814.db2.gz UDMOUBFMUGXDMG-ZBFHGGJFSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000414921881 394804806 /nfs/dbraw/zinc/80/48/06/394804806.db2.gz FDZZCDLMOSRILS-HIFRSBDPSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000414931738 394808650 /nfs/dbraw/zinc/80/86/50/394808650.db2.gz QHPBJZXMENYFBI-NJAFHUGGSA-N 2 1 287.451 2.239 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000414932478 394810045 /nfs/dbraw/zinc/81/00/45/394810045.db2.gz VTXNHYUFDOPAND-ZIAGYGMSSA-N 2 1 270.380 2.232 20 0 CEADMP CC1([NH2+]Cc2cnn(-c3ccccc3)c2)CC[NH2+]CC1 ZINC000414942921 394814364 /nfs/dbraw/zinc/81/43/64/394814364.db2.gz NGWTWKZIOGMVEM-UHFFFAOYSA-N 2 1 270.380 2.104 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000414950110 394819143 /nfs/dbraw/zinc/81/91/43/394819143.db2.gz FUSWWMBXKLQHBZ-AAEUAGOBSA-N 2 1 288.420 2.293 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOCC(F)(F)F ZINC000422927171 394864195 /nfs/dbraw/zinc/86/41/95/394864195.db2.gz FXGSCQIESSEQBR-AAEUAGOBSA-N 2 1 290.329 2.113 20 0 CEADMP C[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C[C@H](O)C[NH3+] ZINC000415056800 394867501 /nfs/dbraw/zinc/86/75/01/394867501.db2.gz OOQRPEAXSKJXCC-SECBINFHSA-N 2 1 296.720 2.110 20 0 CEADMP C[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C[C@H](O)C[NH3+] ZINC000415056800 394867505 /nfs/dbraw/zinc/86/75/05/394867505.db2.gz OOQRPEAXSKJXCC-SECBINFHSA-N 2 1 296.720 2.110 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000415058674 394868556 /nfs/dbraw/zinc/86/85/56/394868556.db2.gz VXJJBQCMUJZONC-TZMCWYRMSA-N 2 1 292.379 2.030 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000415058674 394868559 /nfs/dbraw/zinc/86/85/59/394868559.db2.gz VXJJBQCMUJZONC-TZMCWYRMSA-N 2 1 292.379 2.030 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000129605009 394869344 /nfs/dbraw/zinc/86/93/44/394869344.db2.gz VZDLXMCNVYOEAK-HIFRSBDPSA-N 3 1 267.461 2.179 20 0 CEADMP Fc1ccc(-n2nccc2C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000415065078 394872307 /nfs/dbraw/zinc/87/23/07/394872307.db2.gz FFHUWQWHUWQHDL-UHFFFAOYSA-N 2 1 288.370 2.243 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc(O)cc1)c1c[nH+]ccc1N ZINC000422985205 394874181 /nfs/dbraw/zinc/87/41/81/394874181.db2.gz COPHRENTKKTSRZ-LLVKDONJSA-N 2 1 257.337 2.093 20 0 CEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415073105 394876069 /nfs/dbraw/zinc/87/60/69/394876069.db2.gz NBXXVZJCEGVSRO-WFASDCNBSA-N 2 1 250.361 2.488 20 0 CEADMP COCCOc1ccccc1C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415074381 394876111 /nfs/dbraw/zinc/87/61/11/394876111.db2.gz CLJKZOJBTBRAFZ-GDBMZVCRSA-N 2 1 292.423 2.332 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CCCO3)CC[NH2+]2)cc1 ZINC000415076542 394878178 /nfs/dbraw/zinc/87/81/78/394878178.db2.gz CTXPNEOSUAFLDW-PMPSAXMXSA-N 2 1 260.381 2.248 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336811074 394878234 /nfs/dbraw/zinc/87/82/34/394878234.db2.gz KZCHXNZCSBREHN-NEPJUHHUSA-N 2 1 282.350 2.416 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000130096162 394881893 /nfs/dbraw/zinc/88/18/93/394881893.db2.gz NZSXCMMTKWSBNG-MRXNPFEDSA-N 2 1 297.487 2.297 20 0 CEADMP COC[C@]1(C[NH2+]CCSCc2ccccc2)CCC[NH2+]1 ZINC000414965358 394829534 /nfs/dbraw/zinc/82/95/34/394829534.db2.gz ZHCYTSYOEDFOHV-MRXNPFEDSA-N 2 1 294.464 2.278 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422857421 394832326 /nfs/dbraw/zinc/83/23/26/394832326.db2.gz HMVLKQZFIFFYHS-VQHPVUNQSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422857421 394832330 /nfs/dbraw/zinc/83/23/30/394832330.db2.gz HMVLKQZFIFFYHS-VQHPVUNQSA-N 2 1 279.472 2.371 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000414974338 394832428 /nfs/dbraw/zinc/83/24/28/394832428.db2.gz JVSYEASCBMKAIQ-OWCLPIDISA-N 2 1 281.488 2.475 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000414974337 394832675 /nfs/dbraw/zinc/83/26/75/394832675.db2.gz JVSYEASCBMKAIQ-HRCADAONSA-N 2 1 281.488 2.475 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414976605 394833841 /nfs/dbraw/zinc/83/38/41/394833841.db2.gz IJWXPXHWYUAGKW-NSHDSACASA-N 2 1 276.302 2.455 20 0 CEADMP C[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000422866242 394838031 /nfs/dbraw/zinc/83/80/31/394838031.db2.gz PXGQOFZVFTZGJC-WCVJEAGWSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])N1CCC[C@@H](C)C1 ZINC000422866242 394838036 /nfs/dbraw/zinc/83/80/36/394838036.db2.gz PXGQOFZVFTZGJC-WCVJEAGWSA-N 2 1 267.461 2.214 20 0 CEADMP CC[C@@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422874223 394842811 /nfs/dbraw/zinc/84/28/11/394842811.db2.gz CHYLLJYCLRLAJS-TWMKSMIVSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422874462 394842888 /nfs/dbraw/zinc/84/28/88/394842888.db2.gz ABXUKXHPNKHDLK-BARDWOONSA-N 3 1 255.450 2.070 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422874462 394842889 /nfs/dbraw/zinc/84/28/89/394842889.db2.gz ABXUKXHPNKHDLK-BARDWOONSA-N 3 1 255.450 2.070 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422876397 394843832 /nfs/dbraw/zinc/84/38/32/394843832.db2.gz FNVQJRMKCDEXTB-DLXPNOHRSA-N 3 1 281.488 2.460 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422876397 394843834 /nfs/dbraw/zinc/84/38/34/394843834.db2.gz FNVQJRMKCDEXTB-DLXPNOHRSA-N 3 1 281.488 2.460 20 0 CEADMP CC[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000126417799 394845950 /nfs/dbraw/zinc/84/59/50/394845950.db2.gz MKRVDCJOSVXLAQ-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000415007786 394846102 /nfs/dbraw/zinc/84/61/02/394846102.db2.gz DEXVNMGWEVITTE-AYDFFVQHSA-N 2 1 261.413 2.147 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000415012594 394848321 /nfs/dbraw/zinc/84/83/21/394848321.db2.gz SUHUYPXFGOCRHE-IUCAKERBSA-N 2 1 262.275 2.411 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000415016254 394850523 /nfs/dbraw/zinc/85/05/23/394850523.db2.gz CBZQGASSHHVSPW-LBPRGKRZSA-N 2 1 258.369 2.294 20 0 CEADMP CCCc1cccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000415030548 394854810 /nfs/dbraw/zinc/85/48/10/394854810.db2.gz CQEBOGVGBCUKRH-MRXNPFEDSA-N 2 1 262.397 2.107 20 0 CEADMP c1cc(C2CC2)ccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415036753 394857535 /nfs/dbraw/zinc/85/75/35/394857535.db2.gz KEKWTNMNPZVVRW-MRXNPFEDSA-N 2 1 260.381 2.032 20 0 CEADMP Cc1ccccc1OCC[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415090713 394885999 /nfs/dbraw/zinc/88/59/99/394885999.db2.gz ZIVHYEWTAKZLJZ-CQSZACIVSA-N 2 1 250.386 2.337 20 0 CEADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1C[NH2+]C1 ZINC000422911074 394859508 /nfs/dbraw/zinc/85/95/08/394859508.db2.gz SCSSDHZFCVALDX-AQXGTKIOSA-N 2 1 299.462 2.380 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000415092041 394886973 /nfs/dbraw/zinc/88/69/73/394886973.db2.gz RXPNLQGFJQAOBV-HZPDHXFCSA-N 2 1 295.471 2.131 20 0 CEADMP COc1cccc(C2(C[NH2+][C@@H]3CC[NH2+]C3)CCCC2)c1 ZINC000415089932 394886141 /nfs/dbraw/zinc/88/61/41/394886141.db2.gz ODTRSNQBHVFFPK-OAHLLOKOSA-N 2 1 274.408 2.459 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@H]2CCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000423245078 394889046 /nfs/dbraw/zinc/88/90/46/394889046.db2.gz YCDJESDQKQSDTB-GVDBMIGSSA-N 2 1 273.424 2.164 20 0 CEADMP CCSCCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000281980391 394890081 /nfs/dbraw/zinc/89/00/81/394890081.db2.gz KRVPVWQXZUSJQS-UHFFFAOYSA-N 2 1 253.415 2.380 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1(C)C ZINC000337372785 394890197 /nfs/dbraw/zinc/89/01/97/394890197.db2.gz DLOIHUDPJWPMCV-INMHGKMJSA-N 2 1 279.472 2.181 20 0 CEADMP COC(=O)[C@@](C)(C[NH2+]C[C@H]([NH3+])CC(C)C)c1ccccc1 ZINC000415116044 394894544 /nfs/dbraw/zinc/89/45/44/394894544.db2.gz YXRGJMUPKWKIRU-WBVHZDCISA-N 2 1 292.423 2.080 20 0 CEADMP Cc1cccc(OCC[NH2+]C[C@H]([NH3+])CC(C)C)c1 ZINC000415119164 394895708 /nfs/dbraw/zinc/89/57/08/394895708.db2.gz XBDNUVNAJJLXGX-CQSZACIVSA-N 2 1 250.386 2.337 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000415120860 394896666 /nfs/dbraw/zinc/89/66/66/394896666.db2.gz HISPNLFWXDHRGB-UHFFFAOYSA-N 2 1 286.423 2.437 20 0 CEADMP C[C@@H](N[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423352767 394897655 /nfs/dbraw/zinc/89/76/55/394897655.db2.gz BPYNFRVXFBANBL-BPQIPLTHSA-N 2 1 287.451 2.239 20 0 CEADMP Cc1cccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1C ZINC000415126983 394898682 /nfs/dbraw/zinc/89/86/82/394898682.db2.gz MRGNIKBRFBEMSN-KRWDZBQOSA-N 2 1 299.422 2.191 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cn1 ZINC000415131459 394900080 /nfs/dbraw/zinc/90/00/80/394900080.db2.gz SHNOHASDTCOYBO-GDBMZVCRSA-N 2 1 290.455 2.343 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(F)cn1 ZINC000423362538 394901332 /nfs/dbraw/zinc/90/13/32/394901332.db2.gz BEIBOLUZZJPYMM-WXHSDQCUSA-N 2 1 251.349 2.259 20 0 CEADMP C[C@@H](C[NH3+])N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423362997 394901373 /nfs/dbraw/zinc/90/13/73/394901373.db2.gz IQLVZRKPEPRHOC-XOYOTBSWSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423363127 394901454 /nfs/dbraw/zinc/90/14/54/394901454.db2.gz BMLZFMGMOWUYRZ-LAVFITLUSA-N 2 1 287.451 2.410 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000423363127 394901456 /nfs/dbraw/zinc/90/14/56/394901456.db2.gz BMLZFMGMOWUYRZ-LAVFITLUSA-N 2 1 287.451 2.410 20 0 CEADMP CCOCc1cc(C[N@H+](C)CCC[NH2+]C)ccc1OC ZINC000415136317 394901500 /nfs/dbraw/zinc/90/15/00/394901500.db2.gz RNBUABZZSRVCLP-UHFFFAOYSA-N 2 1 280.412 2.273 20 0 CEADMP CCOCc1cc(C[N@@H+](C)CCC[NH2+]C)ccc1OC ZINC000415136317 394901502 /nfs/dbraw/zinc/90/15/02/394901502.db2.gz RNBUABZZSRVCLP-UHFFFAOYSA-N 2 1 280.412 2.273 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)CC1CCOCC1 ZINC000415137461 394902414 /nfs/dbraw/zinc/90/24/14/394902414.db2.gz NJIQMGNCEYGHQN-UMVBOHGHSA-N 2 1 254.418 2.169 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337998413 394903157 /nfs/dbraw/zinc/90/31/57/394903157.db2.gz MCBDQHJGIUIZKQ-QZTJIDSGSA-N 2 1 293.499 2.428 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423367655 394903749 /nfs/dbraw/zinc/90/37/49/394903749.db2.gz DNGHPERFIXZZAN-HZPDHXFCSA-N 2 1 295.471 2.275 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423371342 394904987 /nfs/dbraw/zinc/90/49/87/394904987.db2.gz VCTJAEZSSWAGFM-RXFTYZNJSA-N 2 1 282.428 2.086 20 0 CEADMP CC(C)[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H](C)[NH3+] ZINC000423377630 394906545 /nfs/dbraw/zinc/90/65/45/394906545.db2.gz VVUVFRYVDHMPCZ-GDBMZVCRSA-N 2 1 295.471 2.083 20 0 CEADMP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC000133622973 394954430 /nfs/dbraw/zinc/95/44/30/394954430.db2.gz VWRPARZOMBFNIP-ZIAGYGMSSA-N 2 1 260.385 2.014 20 0 CEADMP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000133622973 394954434 /nfs/dbraw/zinc/95/44/34/394954434.db2.gz VWRPARZOMBFNIP-ZIAGYGMSSA-N 2 1 260.385 2.014 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(OC)cc1 ZINC000423505963 394939518 /nfs/dbraw/zinc/93/95/18/394939518.db2.gz GVHUVBPYPLACDM-CVEARBPZSA-N 2 1 278.396 2.114 20 0 CEADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423506520 394940595 /nfs/dbraw/zinc/94/05/95/394940595.db2.gz HBTOYTFZXMDSOL-DOTOQJQBSA-N 2 1 290.407 2.041 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc(C)c1F ZINC000423509179 394941753 /nfs/dbraw/zinc/94/17/53/394941753.db2.gz IVEXKTSFIPPNOF-UKRRQHHQSA-N 2 1 280.387 2.472 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000423521727 394943527 /nfs/dbraw/zinc/94/35/27/394943527.db2.gz REIUHHOPSRAXQL-IKGGRYGDSA-N 2 1 287.451 2.062 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCCn2ccnn2)C[C@@H]1c1ccccc1 ZINC000340353251 394984314 /nfs/dbraw/zinc/98/43/14/394984314.db2.gz IUISGEKRPCHKJC-DLBZAZTESA-N 2 1 299.422 2.093 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCn2ccnn2)C[C@@H]1c1ccccc1 ZINC000340353251 394984317 /nfs/dbraw/zinc/98/43/17/394984317.db2.gz IUISGEKRPCHKJC-DLBZAZTESA-N 2 1 299.422 2.093 20 0 CEADMP CN(C)c1ncc(C[N@@H+]2CC[C@H]2c2ccccc2)n1C ZINC000425329766 395058741 /nfs/dbraw/zinc/05/87/41/395058741.db2.gz WRZYLJINXKMQQW-HNNXBMFYSA-N 2 1 270.380 2.433 20 0 CEADMP C1CC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373293531 395058894 /nfs/dbraw/zinc/05/88/94/395058894.db2.gz NVRBYADXCMKRCT-DGXTUMSLSA-N 2 1 276.424 2.160 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](O)c1ccccc1 ZINC000290376152 395100633 /nfs/dbraw/zinc/10/06/33/395100633.db2.gz ROFVWAQDYOFIHO-CLWVCHIJSA-N 2 1 262.397 2.181 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](O)c1ccccc1 ZINC000290376152 395100636 /nfs/dbraw/zinc/10/06/36/395100636.db2.gz ROFVWAQDYOFIHO-CLWVCHIJSA-N 2 1 262.397 2.181 20 0 CEADMP CC1CC[NH+](CCCN[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000161775523 395064992 /nfs/dbraw/zinc/06/49/92/395064992.db2.gz ZBPJZLPCHKLACW-JKSUJKDBSA-N 2 1 267.461 2.038 20 0 CEADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000346565307 395101830 /nfs/dbraw/zinc/10/18/30/395101830.db2.gz QKBJGPDXKFCPTP-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000426506175 395077688 /nfs/dbraw/zinc/07/76/88/395077688.db2.gz COVSATNXEPLWLX-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000426506175 395077692 /nfs/dbraw/zinc/07/76/92/395077692.db2.gz COVSATNXEPLWLX-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000426506175 395077695 /nfs/dbraw/zinc/07/76/95/395077695.db2.gz COVSATNXEPLWLX-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC000426793045 395079359 /nfs/dbraw/zinc/07/93/59/395079359.db2.gz OUYBTASRSBFDAD-LBPRGKRZSA-N 2 1 297.468 2.268 20 0 CEADMP COCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000372064545 395033878 /nfs/dbraw/zinc/03/38/78/395033878.db2.gz FYFWKPBZPVTJAS-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP COCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000372064545 395033880 /nfs/dbraw/zinc/03/38/80/395033880.db2.gz FYFWKPBZPVTJAS-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428038896 395133617 /nfs/dbraw/zinc/13/36/17/395133617.db2.gz ZWZQCLKHHPVTLT-JKSUJKDBSA-N 2 1 274.408 2.366 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428038896 395133621 /nfs/dbraw/zinc/13/36/21/395133621.db2.gz ZWZQCLKHHPVTLT-JKSUJKDBSA-N 2 1 274.408 2.366 20 0 CEADMP CC(C)(C)C1CC([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000436469068 395118826 /nfs/dbraw/zinc/11/88/26/395118826.db2.gz VFUDJUJNVGULRE-UHFFFAOYSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1ccsc1[C@H](CO)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000494626601 395128447 /nfs/dbraw/zinc/12/84/47/395128447.db2.gz RCRYNTPOTHKAMC-OLZOCXBDSA-N 2 1 268.426 2.164 20 0 CEADMP Cc1ccsc1[C@H](CO)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000494626601 395128450 /nfs/dbraw/zinc/12/84/50/395128450.db2.gz RCRYNTPOTHKAMC-OLZOCXBDSA-N 2 1 268.426 2.164 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2COc3cccc(F)c32)CC[N@H+]1C ZINC000378630968 395157817 /nfs/dbraw/zinc/15/78/17/395157817.db2.gz IWISCLYRNCQGFH-NQBHXWOUSA-N 2 1 264.344 2.332 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000380895741 395169649 /nfs/dbraw/zinc/16/96/49/395169649.db2.gz MJKRFCJVIPFXAS-YLFCFFPRSA-N 2 1 274.408 2.433 20 0 CEADMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000178676116 395172736 /nfs/dbraw/zinc/17/27/36/395172736.db2.gz IPQVHYFOQSRYOV-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178970100 395176610 /nfs/dbraw/zinc/17/66/10/395176610.db2.gz VNYOTPKNEPFHQL-HOCLYGCPSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433341592 395225675 /nfs/dbraw/zinc/22/56/75/395225675.db2.gz SMIYQPSQLRJNHR-UHFFFAOYSA-N 2 1 272.352 2.021 20 0 CEADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351621630 395229291 /nfs/dbraw/zinc/22/92/91/395229291.db2.gz QMIOAZSQPYUYTR-VXGBXAGGSA-N 2 1 282.350 2.008 20 0 CEADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351621630 395229300 /nfs/dbraw/zinc/22/93/00/395229300.db2.gz QMIOAZSQPYUYTR-VXGBXAGGSA-N 2 1 282.350 2.008 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000398237601 395231443 /nfs/dbraw/zinc/23/14/43/395231443.db2.gz ZLXWJMJEOGFSQM-BPQIPLTHSA-N 2 1 287.451 2.239 20 0 CEADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000383429823 395185966 /nfs/dbraw/zinc/18/59/66/395185966.db2.gz VZZIEAFOPQIHGV-IIAWOOMASA-N 2 1 272.392 2.237 20 0 CEADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000383429821 395186203 /nfs/dbraw/zinc/18/62/03/395186203.db2.gz VZZIEAFOPQIHGV-FMKPAKJESA-N 2 1 272.392 2.237 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]CC[C@H]1CCOC1 ZINC000437982608 395201509 /nfs/dbraw/zinc/20/15/09/395201509.db2.gz FEGRMBUXOPVISB-GJZGRUSLSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1C[NH3+] ZINC000397304087 395221590 /nfs/dbraw/zinc/22/15/90/395221590.db2.gz LUUOYMGJHVDRTH-KFWWJZLASA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1C[NH3+] ZINC000397304087 395221595 /nfs/dbraw/zinc/22/15/95/395221595.db2.gz LUUOYMGJHVDRTH-KFWWJZLASA-N 2 1 295.471 2.083 20 0 CEADMP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000397601774 395224043 /nfs/dbraw/zinc/22/40/43/395224043.db2.gz NZPHENHJHWHCAH-GOSISDBHSA-N 3 1 287.451 2.240 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000434193316 395281466 /nfs/dbraw/zinc/28/14/66/395281466.db2.gz IOFUQMDOYPUXIE-HOCLYGCPSA-N 2 1 268.445 2.323 20 0 CEADMP C[C@@H](CC1CCOCC1)C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000434193316 395281469 /nfs/dbraw/zinc/28/14/69/395281469.db2.gz IOFUQMDOYPUXIE-HOCLYGCPSA-N 2 1 268.445 2.323 20 0 CEADMP C[C@@H](CC1CCOCC1)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000434193316 395281473 /nfs/dbraw/zinc/28/14/73/395281473.db2.gz IOFUQMDOYPUXIE-HOCLYGCPSA-N 2 1 268.445 2.323 20 0 CEADMP C[NH2+]C1CC[NH+](CCCc2ccccc2OC)CC1 ZINC000420283421 395293867 /nfs/dbraw/zinc/29/38/67/395293867.db2.gz CEXCJZCRTUNEKI-UHFFFAOYSA-N 2 1 262.397 2.312 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323595 395325984 /nfs/dbraw/zinc/32/59/84/395325984.db2.gz GFQZCFPQGSHUMM-HZPDHXFCSA-N 3 1 267.461 2.040 20 0 CEADMP CCCO[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420297171 395302748 /nfs/dbraw/zinc/30/27/48/395302748.db2.gz FRFVGTUAUXBGIB-LSDHHAIUSA-N 2 1 254.418 2.267 20 0 CEADMP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440159243 395303372 /nfs/dbraw/zinc/30/33/72/395303372.db2.gz VCMVYTWPODDAMR-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP C(C[N@H+]1CCS[C@H]2CCCC[C@H]21)[C@H]1CC[NH2+]C1 ZINC000420299260 395304661 /nfs/dbraw/zinc/30/46/61/395304661.db2.gz IOTGNTKKGQTGPB-MCIONIFRSA-N 2 1 254.443 2.346 20 0 CEADMP CC1=CCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353667632 395306239 /nfs/dbraw/zinc/30/62/39/395306239.db2.gz CNWWAZZDSRPIIN-BRWVUGGUSA-N 2 1 277.456 2.101 20 0 CEADMP CC1=CC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353667632 395306244 /nfs/dbraw/zinc/30/62/44/395306244.db2.gz CNWWAZZDSRPIIN-BRWVUGGUSA-N 2 1 277.456 2.101 20 0 CEADMP CC1=CC[NH+](CCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353667632 395306247 /nfs/dbraw/zinc/30/62/47/395306247.db2.gz CNWWAZZDSRPIIN-BRWVUGGUSA-N 2 1 277.456 2.101 20 0 CEADMP CC1=CC[N@H+](CCN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353667632 395306251 /nfs/dbraw/zinc/30/62/51/395306251.db2.gz CNWWAZZDSRPIIN-BRWVUGGUSA-N 2 1 277.456 2.101 20 0 CEADMP CC1=CC[N@@H+](CCN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353667632 395306254 /nfs/dbraw/zinc/30/62/54/395306254.db2.gz CNWWAZZDSRPIIN-BRWVUGGUSA-N 2 1 277.456 2.101 20 0 CEADMP COc1ccccc1CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420300611 395306275 /nfs/dbraw/zinc/30/62/75/395306275.db2.gz CTKMRUOHCRSKMO-ARFHVFGLSA-N 2 1 274.408 2.297 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000420303859 395309326 /nfs/dbraw/zinc/30/93/26/395309326.db2.gz NTTAJJFRNDDPSA-GUTXKFCHSA-N 2 1 262.397 2.325 20 0 CEADMP c1ccc(CC[N@H+](CC[C@H]2CC[NH2+]C2)[C@H]2CCOC2)cc1 ZINC000420305918 395310541 /nfs/dbraw/zinc/31/05/41/395310541.db2.gz QDPJQVPZJGTXNK-MSOLQXFVSA-N 2 1 288.435 2.320 20 0 CEADMP CC(C)CO[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420313332 395317147 /nfs/dbraw/zinc/31/71/47/395317147.db2.gz XYTZCJCTPVWXQH-GJZGRUSLSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1nc([C@H]2CCC[N@@H+](CCC[NH3+])C2)sc1C ZINC000420314902 395318738 /nfs/dbraw/zinc/31/87/38/395318738.db2.gz KKMTUDUKIBTVAP-LBPRGKRZSA-N 2 1 253.415 2.288 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000420313469 395318837 /nfs/dbraw/zinc/31/88/37/395318837.db2.gz UALNEUMDBMRIIE-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000420313469 395318839 /nfs/dbraw/zinc/31/88/39/395318839.db2.gz UALNEUMDBMRIIE-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420315380 395320352 /nfs/dbraw/zinc/32/03/52/395320352.db2.gz LTDKUUGMNVBQIU-JHNDHUHGSA-N 2 1 276.424 2.180 20 0 CEADMP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)C(C)C ZINC000420318759 395322457 /nfs/dbraw/zinc/32/24/57/395322457.db2.gz OTTRZTXNKVPXKG-CQSZACIVSA-N 2 1 250.386 2.468 20 0 CEADMP FC(F)(F)CCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420318145 395322532 /nfs/dbraw/zinc/32/25/32/395322532.db2.gz PQAZGASIRVITPI-QWRGUYRKSA-N 2 1 250.308 2.403 20 0 CEADMP FC(F)(F)CCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420318145 395322533 /nfs/dbraw/zinc/32/25/33/395322533.db2.gz PQAZGASIRVITPI-QWRGUYRKSA-N 2 1 250.308 2.403 20 0 CEADMP COCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434692159 395323544 /nfs/dbraw/zinc/32/35/44/395323544.db2.gz WDGDVJXJPJGWPH-UHFFFAOYSA-N 2 1 263.385 2.045 20 0 CEADMP C[NH2+]CCC[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000420369712 395355859 /nfs/dbraw/zinc/35/58/59/395355859.db2.gz YBSCUZGFVIBZLL-AWEZNQCLSA-N 2 1 268.788 2.403 20 0 CEADMP C[NH2+]CCC[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000420369712 395355861 /nfs/dbraw/zinc/35/58/61/395355861.db2.gz YBSCUZGFVIBZLL-AWEZNQCLSA-N 2 1 268.788 2.403 20 0 CEADMP Cn1nccc1[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420375828 395362225 /nfs/dbraw/zinc/36/22/25/395362225.db2.gz PTQDIJWSSNAOPW-HOCLYGCPSA-N 2 1 276.428 2.337 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000420378972 395363688 /nfs/dbraw/zinc/36/36/88/395363688.db2.gz UUYCTYJKJVGPBF-NSHDSACASA-N 2 1 290.333 2.148 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000420378972 395363691 /nfs/dbraw/zinc/36/36/91/395363691.db2.gz UUYCTYJKJVGPBF-NSHDSACASA-N 2 1 290.333 2.148 20 0 CEADMP CCc1noc(C)c1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435613003 395377049 /nfs/dbraw/zinc/37/70/49/395377049.db2.gz ACJTXMNBMBQJBX-GFCCVEGCSA-N 2 1 251.374 2.119 20 0 CEADMP CCc1noc(C)c1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435613003 395377054 /nfs/dbraw/zinc/37/70/54/395377054.db2.gz ACJTXMNBMBQJBX-GFCCVEGCSA-N 2 1 251.374 2.119 20 0 CEADMP C[C@@H]1CCCC[C@@H]1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441359279 395388611 /nfs/dbraw/zinc/38/86/11/395388611.db2.gz WGVBUKNHEHCGCW-HZPDHXFCSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCO[C@H]1CCCC[C@H]1C ZINC000442778692 395394998 /nfs/dbraw/zinc/39/49/98/395394998.db2.gz KLEPFDODFWHBKQ-BARDWOONSA-N 2 1 254.418 2.251 20 0 CEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cnn(-c2ccccc2)c1 ZINC000420328538 395331093 /nfs/dbraw/zinc/33/10/93/395331093.db2.gz ZWMIJQQYXVKPKP-HNNXBMFYSA-N 2 1 284.407 2.304 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334248 395332804 /nfs/dbraw/zinc/33/28/04/395332804.db2.gz UBHVOYFCBWKCQF-KWCYVHTRSA-N 2 1 290.411 2.330 20 0 CEADMP CC(C)(C)c1noc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420336132 395334906 /nfs/dbraw/zinc/33/49/06/395334906.db2.gz VKZBPSDVFUCKTI-OLZOCXBDSA-N 2 1 292.427 2.189 20 0 CEADMP CC(C)(C)c1noc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420336132 395334909 /nfs/dbraw/zinc/33/49/09/395334909.db2.gz VKZBPSDVFUCKTI-OLZOCXBDSA-N 2 1 292.427 2.189 20 0 CEADMP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341885 395336408 /nfs/dbraw/zinc/33/64/08/395336408.db2.gz QOQWNXCAKVGVKA-RWMBFGLXSA-N 2 1 292.427 2.360 20 0 CEADMP COc1ccc(OCC[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000420357324 395345013 /nfs/dbraw/zinc/34/50/13/395345013.db2.gz HIGUQXSLTVIMMV-AWEZNQCLSA-N 2 1 266.385 2.037 20 0 CEADMP Cc1cnc(CC[N@@H+](C)CC[C@H]2CCC[NH2+]C2)s1 ZINC000420359008 395346889 /nfs/dbraw/zinc/34/68/89/395346889.db2.gz KAFKETMSRRUYFR-CYBMUJFWSA-N 2 1 267.442 2.316 20 0 CEADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000444091417 395413988 /nfs/dbraw/zinc/41/39/88/395413988.db2.gz XBWABRXVNDWHBP-ARKGTOAJSA-N 2 1 295.471 2.189 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000444622451 395440940 /nfs/dbraw/zinc/44/09/40/395440940.db2.gz QACTVUUATSZYCU-GASCZTMLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444622451 395440943 /nfs/dbraw/zinc/44/09/43/395440943.db2.gz QACTVUUATSZYCU-GASCZTMLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000444622451 395440944 /nfs/dbraw/zinc/44/09/44/395440944.db2.gz QACTVUUATSZYCU-GASCZTMLSA-N 2 1 295.471 2.097 20 0 CEADMP CCOCC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000444674771 395444537 /nfs/dbraw/zinc/44/45/37/395444537.db2.gz PZTWBQVEJPNQBW-INMHGKMJSA-N 2 1 298.471 2.017 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000566219499 395506221 /nfs/dbraw/zinc/50/62/21/395506221.db2.gz DJNQCEWGZOXEPX-MCIONIFRSA-N 2 1 292.448 2.470 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1[NH+](C)CCCC1(C)C ZINC000448023583 395507908 /nfs/dbraw/zinc/50/79/08/395507908.db2.gz UGZUQPQWQGYICM-KLHDSHLOSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448023583 395507911 /nfs/dbraw/zinc/50/79/11/395507911.db2.gz UGZUQPQWQGYICM-KLHDSHLOSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448023583 395507913 /nfs/dbraw/zinc/50/79/13/395507913.db2.gz UGZUQPQWQGYICM-KLHDSHLOSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000448023583 395507915 /nfs/dbraw/zinc/50/79/15/395507915.db2.gz UGZUQPQWQGYICM-KLHDSHLOSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000448023583 395507917 /nfs/dbraw/zinc/50/79/17/395507917.db2.gz UGZUQPQWQGYICM-KLHDSHLOSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000566481143 395530158 /nfs/dbraw/zinc/53/01/58/395530158.db2.gz AGYITNDJEXOLFR-KFWWJZLASA-N 2 1 267.461 2.356 20 0 CEADMP COc1ccccc1/C=C/C[NH2+]CCC[NH+]1CCC1 ZINC000565844191 395487506 /nfs/dbraw/zinc/48/75/06/395487506.db2.gz TVQAABHWTDITRP-XBXARRHUSA-N 2 1 260.381 2.394 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000573126489 395601103 /nfs/dbraw/zinc/60/11/03/395601103.db2.gz SWTVTLXSAZQQLM-HBUWYVDXSA-N 3 1 287.451 2.138 20 0 CEADMP C[C@@H]1C[C@@H](C)N(Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000573126489 395601105 /nfs/dbraw/zinc/60/11/05/395601105.db2.gz SWTVTLXSAZQQLM-HBUWYVDXSA-N 2 1 287.451 2.138 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000568472026 395560883 /nfs/dbraw/zinc/56/08/83/395560883.db2.gz QCWLKWMVJPKSHN-CABCVRRESA-N 2 1 287.411 2.241 20 0 CEADMP CC(C)CC1(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCC1 ZINC000573794753 395618043 /nfs/dbraw/zinc/61/80/43/395618043.db2.gz DMDBRPCSXPKOMM-OAHLLOKOSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)CC1(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCC1 ZINC000573794753 395618045 /nfs/dbraw/zinc/61/80/45/395618045.db2.gz DMDBRPCSXPKOMM-OAHLLOKOSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)nc2c1 ZINC000568748502 395569582 /nfs/dbraw/zinc/56/95/82/395569582.db2.gz BOQGWYOTIUMTEQ-CHWSQXEVSA-N 2 1 272.396 2.349 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000574096682 395626543 /nfs/dbraw/zinc/62/65/43/395626543.db2.gz DXQYGLBJXMXUSS-KGLIPLIRSA-N 2 1 278.396 2.276 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000574895589 395640090 /nfs/dbraw/zinc/64/00/90/395640090.db2.gz IGJPIUKKFDAQIF-DLBZAZTESA-N 2 1 287.407 2.314 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000574895589 395640092 /nfs/dbraw/zinc/64/00/92/395640092.db2.gz IGJPIUKKFDAQIF-DLBZAZTESA-N 2 1 287.407 2.314 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000574925292 395641307 /nfs/dbraw/zinc/64/13/07/395641307.db2.gz WPKASXGFYJSUAH-DLBZAZTESA-N 2 1 294.414 2.145 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000574925292 395641308 /nfs/dbraw/zinc/64/13/08/395641308.db2.gz WPKASXGFYJSUAH-DLBZAZTESA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000574925292 395641309 /nfs/dbraw/zinc/64/13/09/395641309.db2.gz WPKASXGFYJSUAH-DLBZAZTESA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000574925292 395641310 /nfs/dbraw/zinc/64/13/10/395641310.db2.gz WPKASXGFYJSUAH-DLBZAZTESA-N 2 1 294.414 2.145 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc2cnccc21 ZINC000647508409 395723700 /nfs/dbraw/zinc/72/37/00/395723700.db2.gz MNOHIHONKSMKHA-STQMWFEESA-N 2 1 255.365 2.404 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1ccc(OCc2ccccn2)cc1 ZINC000647496981 395721465 /nfs/dbraw/zinc/72/14/65/395721465.db2.gz FCOKYODZDPGRPI-UHFFFAOYSA-N 2 1 285.391 2.441 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CC[C@H]1[NH3+] ZINC000647497823 395721606 /nfs/dbraw/zinc/72/16/06/395721606.db2.gz WNYGMDRVFVPZCN-IUODEOHRSA-N 2 1 290.436 2.493 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)o1 ZINC000647496362 395721650 /nfs/dbraw/zinc/72/16/50/395721650.db2.gz YUWNXTZYDCAKCA-RISCZKNCSA-N 2 1 288.395 2.158 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)o1 ZINC000647496362 395721652 /nfs/dbraw/zinc/72/16/52/395721652.db2.gz YUWNXTZYDCAKCA-RISCZKNCSA-N 2 1 288.395 2.158 20 0 CEADMP CC[C@H]1C[N@H+](Cc2c[nH]nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000647499014 395722723 /nfs/dbraw/zinc/72/27/23/395722723.db2.gz WUFYZZONOOBAIW-WCQYABFASA-N 2 1 264.417 2.266 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2c[nH]nc2C(C)(C)C)CC[C@H]1[NH3+] ZINC000647499014 395722725 /nfs/dbraw/zinc/72/27/25/395722725.db2.gz WUFYZZONOOBAIW-WCQYABFASA-N 2 1 264.417 2.266 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccccc1-n1cncn1 ZINC000647506237 395723239 /nfs/dbraw/zinc/72/32/39/395723239.db2.gz VKCLEDSNVBHGFK-OAHLLOKOSA-N 2 1 287.411 2.073 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc2n(n1)CCCC2 ZINC000647295251 395699392 /nfs/dbraw/zinc/69/93/92/395699392.db2.gz DYDTVKTVGNZQPN-CYBMUJFWSA-N 2 1 274.412 2.132 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2n(n1)CCCC2 ZINC000647295251 395699394 /nfs/dbraw/zinc/69/93/94/395699394.db2.gz DYDTVKTVGNZQPN-CYBMUJFWSA-N 2 1 274.412 2.132 20 0 CEADMP c1cc2c(s1)CCC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000647516251 395725055 /nfs/dbraw/zinc/72/50/55/395725055.db2.gz ZRZHELQDRLOTQE-LBPRGKRZSA-N 2 1 250.411 2.496 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542839 395730726 /nfs/dbraw/zinc/73/07/26/395730726.db2.gz CPGAJKZTPFOYCF-HZPDHXFCSA-N 2 1 290.455 2.249 20 0 CEADMP CCn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543259 395731167 /nfs/dbraw/zinc/73/11/67/395731167.db2.gz KDYFATUPKVKXAT-HZPDHXFCSA-N 2 1 276.428 2.115 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)[C@@H]1CCOC1 ZINC000647544006 395731566 /nfs/dbraw/zinc/73/15/66/395731566.db2.gz VKFNPQWVXDMASW-BZUAXINKSA-N 2 1 266.429 2.125 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000647553264 395734257 /nfs/dbraw/zinc/73/42/57/395734257.db2.gz NNSMYVZYSKLZGD-ZIAGYGMSSA-N 2 1 254.418 2.251 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC([C@H](C)[NH3+])CC3)c2c1C ZINC000647704857 395746698 /nfs/dbraw/zinc/74/66/98/395746698.db2.gz NPJRNEKYKXTTSR-JTQLQIEISA-N 2 1 273.384 2.138 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000647789517 395754849 /nfs/dbraw/zinc/75/48/49/395754849.db2.gz GWCVOZILLCKXLL-XMTFNYHQSA-N 3 1 293.499 2.475 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798611 395756988 /nfs/dbraw/zinc/75/69/88/395756988.db2.gz UHHVSHVFAJEJMS-QKPAOTATSA-N 3 1 267.461 2.085 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798611 395756990 /nfs/dbraw/zinc/75/69/90/395756990.db2.gz UHHVSHVFAJEJMS-QKPAOTATSA-N 3 1 267.461 2.085 20 0 CEADMP CC[C@H]1C[N@@H+](CCOCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000647937082 395779941 /nfs/dbraw/zinc/77/99/41/395779941.db2.gz QPUAIGIWOYGGER-RDJZCZTQSA-N 2 1 292.423 2.141 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1 ZINC000647956092 395784105 /nfs/dbraw/zinc/78/41/05/395784105.db2.gz ZAOZMIXYSQEZBH-ZWKOTPCHSA-N 2 1 290.451 2.395 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000647956092 395784107 /nfs/dbraw/zinc/78/41/07/395784107.db2.gz ZAOZMIXYSQEZBH-ZWKOTPCHSA-N 2 1 290.451 2.395 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000647956092 395784108 /nfs/dbraw/zinc/78/41/08/395784108.db2.gz ZAOZMIXYSQEZBH-ZWKOTPCHSA-N 2 1 290.451 2.395 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1cccc(C)c1 ZINC000647960134 395786361 /nfs/dbraw/zinc/78/63/61/395786361.db2.gz HQLMSNFTWAJBMU-SJORKVTESA-N 2 1 276.424 2.445 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1cccc(C)c1 ZINC000647960134 395786363 /nfs/dbraw/zinc/78/63/63/395786363.db2.gz HQLMSNFTWAJBMU-SJORKVTESA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000647960134 395786366 /nfs/dbraw/zinc/78/63/66/395786366.db2.gz HQLMSNFTWAJBMU-SJORKVTESA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000647960134 395786367 /nfs/dbraw/zinc/78/63/67/395786367.db2.gz HQLMSNFTWAJBMU-SJORKVTESA-N 2 1 276.424 2.445 20 0 CEADMP C([C@@H]1CC[NH2+]C1)[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000647889475 395769700 /nfs/dbraw/zinc/76/97/00/395769700.db2.gz USLMEBLIARDCGS-HIFRSBDPSA-N 2 1 252.402 2.020 20 0 CEADMP FC(F)(F)CC[N@@H+](CC1CC1)C[C@@H]1CC[NH2+]C1 ZINC000647891587 395770201 /nfs/dbraw/zinc/77/02/01/395770201.db2.gz UJBYEIZCNATANA-LLVKDONJSA-N 2 1 250.308 2.260 20 0 CEADMP c1cc(CCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000647903460 395770617 /nfs/dbraw/zinc/77/06/17/395770617.db2.gz JMXMAXBSQUKCIL-SJORKVTESA-N 2 1 273.424 2.478 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C2CCCCC2)CC[C@H]1[NH3+] ZINC000647934533 395778758 /nfs/dbraw/zinc/77/87/58/395778758.db2.gz ICNZQGIHFNNYEM-IIAWOOMASA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C2CCCCC2)CC[C@H]1[NH3+] ZINC000647934533 395778759 /nfs/dbraw/zinc/77/87/59/395778759.db2.gz ICNZQGIHFNNYEM-IIAWOOMASA-N 2 1 295.471 2.225 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000648150658 395846726 /nfs/dbraw/zinc/84/67/26/395846726.db2.gz ZREOODLMAGINLY-QLFBSQMISA-N 2 1 295.471 2.368 20 0 CEADMP Cc1nc2ccc(NC(=O)[C@H]3C[NH2+]CCC3(F)F)cc2[nH]1 ZINC000647973538 395792880 /nfs/dbraw/zinc/79/28/80/395792880.db2.gz SMRHXYMLGHTSLC-SNVBAGLBSA-N 2 1 294.305 2.055 20 0 CEADMP CC(C)[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647989125 395796334 /nfs/dbraw/zinc/79/63/34/395796334.db2.gz NAZKHQIKKPFRJN-OAHLLOKOSA-N 2 1 254.418 2.123 20 0 CEADMP CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCCC3CC[NH2+]CC3)[C@@H]2C1 ZINC000647990914 395797587 /nfs/dbraw/zinc/79/75/87/395797587.db2.gz ULFZYGGWURVJLC-ZACQAIPSSA-N 2 1 296.455 2.035 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](F)C2)cc1 ZINC000648720653 395967003 /nfs/dbraw/zinc/96/70/03/395967003.db2.gz CCQXWJBTWWRBPH-AWEZNQCLSA-N 2 1 266.360 2.171 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](F)C2)cc1 ZINC000648720653 395967005 /nfs/dbraw/zinc/96/70/05/395967005.db2.gz CCQXWJBTWWRBPH-AWEZNQCLSA-N 2 1 266.360 2.171 20 0 CEADMP CCCC[N@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648780657 395981885 /nfs/dbraw/zinc/98/18/85/395981885.db2.gz UKUVHESPDJBDGZ-AWEZNQCLSA-N 2 1 294.443 2.245 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648780657 395981887 /nfs/dbraw/zinc/98/18/87/395981887.db2.gz UKUVHESPDJBDGZ-AWEZNQCLSA-N 2 1 294.443 2.245 20 0 CEADMP CCC[N@H+](CC)CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648806610 395989819 /nfs/dbraw/zinc/98/98/19/395989819.db2.gz QLDQMVNZVWCDNY-AWEZNQCLSA-N 2 1 294.443 2.245 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648806610 395989825 /nfs/dbraw/zinc/98/98/25/395989825.db2.gz QLDQMVNZVWCDNY-AWEZNQCLSA-N 2 1 294.443 2.245 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649318554 396120523 /nfs/dbraw/zinc/12/05/23/396120523.db2.gz VRURRKYKLUGMRS-SMDDNHRTSA-N 2 1 297.830 2.186 20 0 CEADMP C[C@@H]([NH3+])CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000649378572 396134500 /nfs/dbraw/zinc/13/45/00/396134500.db2.gz KBUOCBFCIKBGPK-CABCVRRESA-N 2 1 295.471 2.227 20 0 CEADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000649413652 396147337 /nfs/dbraw/zinc/14/73/37/396147337.db2.gz WSURKBRTHYERBV-NVXWUHKLSA-N 2 1 273.424 2.197 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C2(O)CC2)CC1 ZINC000649674369 396226852 /nfs/dbraw/zinc/22/68/52/396226852.db2.gz RKJUNRHYSIWWGK-HNNXBMFYSA-N 2 1 266.429 2.098 20 0 CEADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(O)cc3)C2)C1 ZINC000646243267 396320349 /nfs/dbraw/zinc/32/03/49/396320349.db2.gz SHFNAJMEVSTSFQ-INIZCTEOSA-N 2 1 260.381 2.310 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(O)cc3)C2)C1 ZINC000646243267 396320353 /nfs/dbraw/zinc/32/03/53/396320353.db2.gz SHFNAJMEVSTSFQ-INIZCTEOSA-N 2 1 260.381 2.310 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(O)cc3)C2)C1 ZINC000646243267 396320355 /nfs/dbraw/zinc/32/03/55/396320355.db2.gz SHFNAJMEVSTSFQ-INIZCTEOSA-N 2 1 260.381 2.310 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(O)cc3)C2)C1 ZINC000646243267 396320359 /nfs/dbraw/zinc/32/03/59/396320359.db2.gz SHFNAJMEVSTSFQ-INIZCTEOSA-N 2 1 260.381 2.310 20 0 CEADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000646789432 396382229 /nfs/dbraw/zinc/38/22/29/396382229.db2.gz VFVNJRNFHATSAH-BXUZGUMPSA-N 2 1 261.369 2.129 20 0 CEADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000646789432 396382232 /nfs/dbraw/zinc/38/22/32/396382232.db2.gz VFVNJRNFHATSAH-BXUZGUMPSA-N 2 1 261.369 2.129 20 0 CEADMP CCn1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647249034 396450046 /nfs/dbraw/zinc/45/00/46/396450046.db2.gz YPRBOPCUHUIPBA-MSOLQXFVSA-N 2 1 298.434 2.338 20 0 CEADMP CCn1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647249034 396450050 /nfs/dbraw/zinc/45/00/50/396450050.db2.gz YPRBOPCUHUIPBA-MSOLQXFVSA-N 2 1 298.434 2.338 20 0 CEADMP OC1CC[NH+](CCC[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362915577 296540157 /nfs/dbraw/zinc/54/01/57/296540157.db2.gz BSWAIOCNKVBXRD-UHFFFAOYSA-N 2 1 266.429 2.146 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000037826002 400120286 /nfs/dbraw/zinc/12/02/86/400120286.db2.gz BIUJBNXGAQXFMF-UHFFFAOYSA-N 2 1 295.471 2.228 20 0 CEADMP C[N@@H+](CCCNC(=O)C1([NH3+])CCCC1)C1CCCCC1 ZINC000037901363 400121541 /nfs/dbraw/zinc/12/15/41/400121541.db2.gz UPTCAHRDHKKYHV-UHFFFAOYSA-N 2 1 281.444 2.029 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000398085436 400560746 /nfs/dbraw/zinc/56/07/46/400560746.db2.gz HVCYIDHWKJUCQB-NXHRZFHOSA-N 2 1 287.451 2.381 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000636119901 400687859 /nfs/dbraw/zinc/68/78/59/400687859.db2.gz TVNXJVRKFCJYTB-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636119901 400687861 /nfs/dbraw/zinc/68/78/61/400687861.db2.gz TVNXJVRKFCJYTB-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000636119901 400687864 /nfs/dbraw/zinc/68/78/64/400687864.db2.gz TVNXJVRKFCJYTB-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N(C)CC1CC[NH+](C)CC1 ZINC000280703398 285973310 /nfs/dbraw/zinc/97/33/10/285973310.db2.gz KKSZXYUSRRLXCA-UHFFFAOYSA-N 2 1 291.395 2.036 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)[C@@H]1CC[NH3+] ZINC000650710909 401001504 /nfs/dbraw/zinc/00/15/04/401001504.db2.gz CKCXLEVLYPJHCN-RHSMWYFYSA-N 2 1 299.422 2.217 20 0 CEADMP CCO[C@@H]1C[N@@H+](CCCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000650714697 401003806 /nfs/dbraw/zinc/00/38/06/401003806.db2.gz ZCDHYFHTMJOXHT-NVXWUHKLSA-N 2 1 292.423 2.141 20 0 CEADMP CCO[C@@H]1C[N@H+](C/C=C/c2ccccc2OC)C[C@H]1C[NH3+] ZINC000650715370 401006387 /nfs/dbraw/zinc/00/63/87/401006387.db2.gz ZTTNVUILRNXEKS-UTDDRVLSSA-N 2 1 290.407 2.004 20 0 CEADMP CCO[C@@H]1C[N@@H+](C/C=C/c2ccccc2OC)C[C@H]1C[NH3+] ZINC000650715370 401006390 /nfs/dbraw/zinc/00/63/90/401006390.db2.gz ZTTNVUILRNXEKS-UTDDRVLSSA-N 2 1 290.407 2.004 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000650756213 401033623 /nfs/dbraw/zinc/03/36/23/401033623.db2.gz WQXMGYJCVQLEMZ-KSZLIROESA-N 3 1 287.451 2.368 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000650756213 401033629 /nfs/dbraw/zinc/03/36/29/401033629.db2.gz WQXMGYJCVQLEMZ-KSZLIROESA-N 2 1 287.451 2.368 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000650756213 401033636 /nfs/dbraw/zinc/03/36/36/401033636.db2.gz WQXMGYJCVQLEMZ-KSZLIROESA-N 2 1 287.451 2.368 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000650756213 401033645 /nfs/dbraw/zinc/03/36/45/401033645.db2.gz WQXMGYJCVQLEMZ-KSZLIROESA-N 2 1 287.451 2.368 20 0 CEADMP N[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)c2ccccc21 ZINC000650762180 401038158 /nfs/dbraw/zinc/03/81/58/401038158.db2.gz VZSZZMAFTPSGFF-JKSUJKDBSA-N 2 1 259.397 2.111 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)c1cnn(C)c1 ZINC000652222089 401466478 /nfs/dbraw/zinc/46/64/78/401466478.db2.gz FGMWFRKGBRZSIJ-OAHLLOKOSA-N 2 1 266.433 2.439 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)c1cnn(C)c1 ZINC000652222089 401466482 /nfs/dbraw/zinc/46/64/82/401466482.db2.gz FGMWFRKGBRZSIJ-OAHLLOKOSA-N 2 1 266.433 2.439 20 0 CEADMP CC[C@@H]([NH3+])CNC(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000652222519 401466512 /nfs/dbraw/zinc/46/65/12/401466512.db2.gz QKVHIOJAERHRHW-CQSZACIVSA-N 2 1 298.475 2.068 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](COC)C2CC2)[C@@H](C)C1 ZINC000247986899 286064816 /nfs/dbraw/zinc/06/48/16/286064816.db2.gz IWVJMEWTAVLSQX-BHYGNILZSA-N 2 1 298.471 2.138 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000360239716 155248680 /nfs/dbraw/zinc/24/86/80/155248680.db2.gz RWWYZVVJNKYOBZ-HIFRSBDPSA-N 2 1 254.418 2.264 20 0 CEADMP COCCOc1ccccc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000360250890 155251703 /nfs/dbraw/zinc/25/17/03/155251703.db2.gz QLXHJPQHUQSYKE-HOCLYGCPSA-N 2 1 292.423 2.142 20 0 CEADMP COCCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000360250890 155251704 /nfs/dbraw/zinc/25/17/04/155251704.db2.gz QLXHJPQHUQSYKE-HOCLYGCPSA-N 2 1 292.423 2.142 20 0 CEADMP COCC1=CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000360800467 155376623 /nfs/dbraw/zinc/37/66/23/155376623.db2.gz XRVUIXVZVORZBW-OAHLLOKOSA-N 2 1 252.402 2.139 20 0 CEADMP COCC1=CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000360800467 155376634 /nfs/dbraw/zinc/37/66/34/155376634.db2.gz XRVUIXVZVORZBW-OAHLLOKOSA-N 2 1 252.402 2.139 20 0 CEADMP COCC1=CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000360800467 155376641 /nfs/dbraw/zinc/37/66/41/155376641.db2.gz XRVUIXVZVORZBW-OAHLLOKOSA-N 2 1 252.402 2.139 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000190754084 153141553 /nfs/dbraw/zinc/14/15/53/153141553.db2.gz VTTUYAYCZNMZRI-HNNXBMFYSA-N 2 1 288.439 2.112 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000191456494 153173703 /nfs/dbraw/zinc/17/37/03/153173703.db2.gz NSUXYSBEWNIXBK-CQSZACIVSA-N 2 1 264.417 2.321 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000191456494 153173706 /nfs/dbraw/zinc/17/37/06/153173706.db2.gz NSUXYSBEWNIXBK-CQSZACIVSA-N 2 1 264.417 2.321 20 0 CEADMP CC(C)C[C@@]1(CO)CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000191661676 153184733 /nfs/dbraw/zinc/18/47/33/153184733.db2.gz BNOLJTVQWUFQKD-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1c[nH+]ccc1N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000191979488 153199435 /nfs/dbraw/zinc/19/94/35/153199435.db2.gz IVYNRVYZDSMVSF-AWEZNQCLSA-N 2 1 275.396 2.080 20 0 CEADMP C[C@@H](O)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000228081561 153358971 /nfs/dbraw/zinc/35/89/71/153358971.db2.gz ZEQVXXCKGLGVGJ-HUUCEWRRSA-N 2 1 276.424 2.400 20 0 CEADMP [NH3+]CCC[N@@H+](CCc1cccnc1)Cc1ccccc1 ZINC000230031667 153380380 /nfs/dbraw/zinc/38/03/80/153380380.db2.gz AUJOAYSMKAWRPB-UHFFFAOYSA-N 2 1 269.392 2.475 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000245645669 153507000 /nfs/dbraw/zinc/50/70/00/153507000.db2.gz TVTSDBZRDYIJPR-CVEARBPZSA-N 2 1 265.445 2.031 20 0 CEADMP COc1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000269984010 154150729 /nfs/dbraw/zinc/15/07/29/154150729.db2.gz RSWQJYOYGMQXCZ-CVEARBPZSA-N 2 1 274.408 2.454 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000344008831 154264613 /nfs/dbraw/zinc/26/46/13/154264613.db2.gz ZLQZLYXCVMDFHO-ZNMIVQPWSA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344008831 154264615 /nfs/dbraw/zinc/26/46/15/154264615.db2.gz ZLQZLYXCVMDFHO-ZNMIVQPWSA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344008831 154264616 /nfs/dbraw/zinc/26/46/16/154264616.db2.gz ZLQZLYXCVMDFHO-ZNMIVQPWSA-N 2 1 255.450 2.179 20 0 CEADMP C[C@H](C[C@@H]1CCCO1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352783075 154338231 /nfs/dbraw/zinc/33/82/31/154338231.db2.gz WZHQHWBSTXNFIY-NEPJUHHUSA-N 2 1 283.441 2.252 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357078636 154373133 /nfs/dbraw/zinc/37/31/33/154373133.db2.gz RNMKCRACYFGWGJ-CVEARBPZSA-N 2 1 274.408 2.224 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357078636 154373137 /nfs/dbraw/zinc/37/31/37/154373137.db2.gz RNMKCRACYFGWGJ-CVEARBPZSA-N 2 1 274.408 2.224 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1cnn(C)c1 ZINC000359639458 155093635 /nfs/dbraw/zinc/09/36/35/155093635.db2.gz KXWGTANLQAUXII-CQSZACIVSA-N 2 1 252.406 2.191 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cnn(C)c1 ZINC000359639458 155093640 /nfs/dbraw/zinc/09/36/40/155093640.db2.gz KXWGTANLQAUXII-CQSZACIVSA-N 2 1 252.406 2.191 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000359695644 155114447 /nfs/dbraw/zinc/11/44/47/155114447.db2.gz MDSRCCXUAMMGGT-GDBMZVCRSA-N 2 1 288.439 2.112 20 0 CEADMP CCN(C)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000359719681 155120086 /nfs/dbraw/zinc/12/00/86/155120086.db2.gz LWVGGGOCICSPKV-UKRRQHHQSA-N 2 1 276.428 2.110 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cn1 ZINC000359719681 155120088 /nfs/dbraw/zinc/12/00/88/155120088.db2.gz LWVGGGOCICSPKV-UKRRQHHQSA-N 2 1 276.428 2.110 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000359719681 155120091 /nfs/dbraw/zinc/12/00/91/155120091.db2.gz LWVGGGOCICSPKV-UKRRQHHQSA-N 2 1 276.428 2.110 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000359719681 155120092 /nfs/dbraw/zinc/12/00/92/155120092.db2.gz LWVGGGOCICSPKV-UKRRQHHQSA-N 2 1 276.428 2.110 20 0 CEADMP CCCC(=O)N1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000363879167 156046664 /nfs/dbraw/zinc/04/66/64/156046664.db2.gz MOVWSLPCZZBDOH-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC(=O)N1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000363879167 156046665 /nfs/dbraw/zinc/04/66/65/156046665.db2.gz MOVWSLPCZZBDOH-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC(=O)N1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000363879167 156046666 /nfs/dbraw/zinc/04/66/66/156046666.db2.gz MOVWSLPCZZBDOH-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC(=O)N1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000363879167 156046668 /nfs/dbraw/zinc/04/66/68/156046668.db2.gz MOVWSLPCZZBDOH-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP C[C@H](F)CC[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000367153512 156141016 /nfs/dbraw/zinc/14/10/16/156141016.db2.gz ZQNVHNUEXUEQOD-ZDUSSCGKSA-N 2 1 272.408 2.310 20 0 CEADMP COC(=O)[C@H]1C[N@@H+](CCCc2cnccc2C)CC1(C)C ZINC000367316609 156165932 /nfs/dbraw/zinc/16/59/32/156165932.db2.gz DSDCUPBKBKNIJB-OAHLLOKOSA-N 2 1 290.407 2.454 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccccn3)C2)CC[N@@H+]1C ZINC000367396253 156178523 /nfs/dbraw/zinc/17/85/23/156178523.db2.gz HZICPPVSAFPXSG-PMPSAXMXSA-N 2 1 288.439 2.123 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccccn3)C2)CC[N@H+]1C ZINC000367396253 156178525 /nfs/dbraw/zinc/17/85/25/156178525.db2.gz HZICPPVSAFPXSG-PMPSAXMXSA-N 2 1 288.439 2.123 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000367526931 156200575 /nfs/dbraw/zinc/20/05/75/156200575.db2.gz KUHAMNHIOGGYHE-BDXSIMOUSA-N 2 1 288.435 2.052 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(CO)c2)[C@@H]2CCC[C@@H]21 ZINC000367609841 156212430 /nfs/dbraw/zinc/21/24/30/156212430.db2.gz XYOUQOOGODSUQY-ULQDDVLXSA-N 2 1 274.408 2.141 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367599568 156213771 /nfs/dbraw/zinc/21/37/71/156213771.db2.gz WLWBFTIHVPSWLG-BRSBDYLESA-N 2 1 288.435 2.491 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccsc2)[C@H]2CCC[C@H]21 ZINC000367611630 156214306 /nfs/dbraw/zinc/21/43/06/156214306.db2.gz CLLDDURPGXFUMS-QXSJWSMHSA-N 2 1 294.464 2.418 20 0 CEADMP C[N@@H+](CCOC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367604207 156214934 /nfs/dbraw/zinc/21/49/34/156214934.db2.gz SPDSEKVXAVCWHX-PBWFPOADSA-N 2 1 254.418 2.359 20 0 CEADMP C[NH+](CCOC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367604207 156214941 /nfs/dbraw/zinc/21/49/41/156214941.db2.gz SPDSEKVXAVCWHX-PBWFPOADSA-N 2 1 254.418 2.359 20 0 CEADMP C[NH+](CCOC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367604207 156214947 /nfs/dbraw/zinc/21/49/47/156214947.db2.gz SPDSEKVXAVCWHX-PBWFPOADSA-N 2 1 254.418 2.359 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000367623305 156218480 /nfs/dbraw/zinc/21/84/80/156218480.db2.gz VPJUOJBXLVOPJW-FJIDUMEYSA-N 2 1 288.435 2.357 20 0 CEADMP CCOC(=O)CCC[N@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000375002510 157035123 /nfs/dbraw/zinc/03/51/23/157035123.db2.gz GVEYMOOUAXKFIP-UHFFFAOYSA-N 2 1 282.428 2.278 20 0 CEADMP CCOC(=O)CCC[N@@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000375002510 157035128 /nfs/dbraw/zinc/03/51/28/157035128.db2.gz GVEYMOOUAXKFIP-UHFFFAOYSA-N 2 1 282.428 2.278 20 0 CEADMP C[N@H+]1CC[C@@H]2CCN(Cc3ccc(-n4ccnc4)cc3)C[C@@H]21 ZINC000375027708 157042413 /nfs/dbraw/zinc/04/24/13/157042413.db2.gz ANPJTDJOFNGQEU-AEFFLSMTSA-N 2 1 296.418 2.398 20 0 CEADMP CN1CC[C@@H]2CC[N@H+](Cc3ccc(-n4ccnc4)cc3)C[C@@H]21 ZINC000375027708 157042416 /nfs/dbraw/zinc/04/24/16/157042416.db2.gz ANPJTDJOFNGQEU-AEFFLSMTSA-N 2 1 296.418 2.398 20 0 CEADMP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CCC[NH+]1CCCCC1 ZINC000375746195 157137455 /nfs/dbraw/zinc/13/74/55/157137455.db2.gz XLXLCGLRLUTTIC-DMRKSPOLSA-N 2 1 278.440 2.218 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000375861410 157152180 /nfs/dbraw/zinc/15/21/80/157152180.db2.gz NKKGMWMSTWNLQV-AWEZNQCLSA-N 2 1 273.384 2.362 20 0 CEADMP Cc1nccn1CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000375863612 157153106 /nfs/dbraw/zinc/15/31/06/157153106.db2.gz XKYCSCWJBZXENI-ZACQAIPSSA-N 2 1 290.455 2.434 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000375863612 157153107 /nfs/dbraw/zinc/15/31/07/157153107.db2.gz XKYCSCWJBZXENI-ZACQAIPSSA-N 3 1 290.455 2.434 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000375863612 157153111 /nfs/dbraw/zinc/15/31/11/157153111.db2.gz XKYCSCWJBZXENI-ZACQAIPSSA-N 3 1 290.455 2.434 20 0 CEADMP c1cc(O[C@@H]2CC[N@H+](C[C@H]3CCSC3)C2)ccn1 ZINC000375918389 157161972 /nfs/dbraw/zinc/16/19/72/157161972.db2.gz VSZBENWKBJQTDM-TZMCWYRMSA-N 2 1 264.394 2.288 20 0 CEADMP CCc1ccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000376157102 157191656 /nfs/dbraw/zinc/19/16/56/157191656.db2.gz KDYXBXIBLQQFPT-HQSKLWIPSA-N 2 1 288.435 2.497 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000376209006 157197621 /nfs/dbraw/zinc/19/76/21/157197621.db2.gz HWUONCROOACTTA-ZNMIVQPWSA-N 2 1 275.396 2.129 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCOC1 ZINC000151126617 162301850 /nfs/dbraw/zinc/30/18/50/162301850.db2.gz NUMRBOZGXPDKPB-FVQBIDKESA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCOC1 ZINC000151126617 162301854 /nfs/dbraw/zinc/30/18/54/162301854.db2.gz NUMRBOZGXPDKPB-FVQBIDKESA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1C ZINC000151120618 162303127 /nfs/dbraw/zinc/30/31/27/162303127.db2.gz DCXKPWTWKYFJIY-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1C ZINC000151120618 162303130 /nfs/dbraw/zinc/30/31/30/162303130.db2.gz DCXKPWTWKYFJIY-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1C ZINC000151120618 162303134 /nfs/dbraw/zinc/30/31/34/162303134.db2.gz DCXKPWTWKYFJIY-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCOC1 ZINC000247164331 287014765 /nfs/dbraw/zinc/01/47/65/287014765.db2.gz SHUODCFBZVMZSF-WQGXVZNYSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCOC1 ZINC000247164331 287014766 /nfs/dbraw/zinc/01/47/66/287014766.db2.gz SHUODCFBZVMZSF-WQGXVZNYSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000268922070 287022544 /nfs/dbraw/zinc/02/25/44/287022544.db2.gz OWUWMALHLZZUKB-ZIAGYGMSSA-N 2 1 266.385 2.167 20 0 CEADMP C[C@@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000175809232 165147107 /nfs/dbraw/zinc/14/71/07/165147107.db2.gz XBVAKRXEQIHJIU-XGUBFFRZSA-N 2 1 297.487 2.340 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000178512842 165245209 /nfs/dbraw/zinc/24/52/09/165245209.db2.gz RGQGIKUMLJJUJH-QWHCGFSZSA-N 2 1 280.416 2.198 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCCO2)[C@H](C)C1 ZINC000178711143 165256302 /nfs/dbraw/zinc/25/63/02/165256302.db2.gz FKHHTNRRBICYEA-IXDOHACOSA-N 2 1 298.471 2.282 20 0 CEADMP COC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C(C)C ZINC000178704708 165258098 /nfs/dbraw/zinc/25/80/98/165258098.db2.gz ZRQSQDSWCWJZEI-GXTWGEPZSA-N 2 1 253.390 2.088 20 0 CEADMP c1ccc(N[C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000178982645 165266925 /nfs/dbraw/zinc/26/69/25/165266925.db2.gz GEEIHZYBTHXGLO-INIZCTEOSA-N 2 1 259.397 2.172 20 0 CEADMP CC(C)[NH+](CC(O)C[N@H+](C(C)C)C1CC1)C1CC1 ZINC000181791566 165356651 /nfs/dbraw/zinc/35/66/51/165356651.db2.gz RIWGVYUOKJQIBA-UHFFFAOYSA-N 2 1 254.418 2.093 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)[C@@H]1C ZINC000183139226 165388198 /nfs/dbraw/zinc/38/81/98/165388198.db2.gz XSFIIIMYCIIQIT-ZACQAIPSSA-N 2 1 281.488 2.428 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(OC)c1 ZINC000360708073 165554418 /nfs/dbraw/zinc/55/44/18/165554418.db2.gz QILIPYNREGLQAC-HIFRSBDPSA-N 2 1 292.423 2.319 20 0 CEADMP COc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020523814 171236581 /nfs/dbraw/zinc/23/65/81/171236581.db2.gz XMVSUADAMVQDIY-GOOCMWNKSA-N 2 1 260.381 2.410 20 0 CEADMP COc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523814 171236583 /nfs/dbraw/zinc/23/65/83/171236583.db2.gz XMVSUADAMVQDIY-GOOCMWNKSA-N 2 1 260.381 2.410 20 0 CEADMP CC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285631435 196350157 /nfs/dbraw/zinc/35/01/57/196350157.db2.gz RGZYSRVVMZKBDZ-ZWKOTPCHSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285631435 196350159 /nfs/dbraw/zinc/35/01/59/196350159.db2.gz RGZYSRVVMZKBDZ-ZWKOTPCHSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285631435 196350161 /nfs/dbraw/zinc/35/01/61/196350161.db2.gz RGZYSRVVMZKBDZ-ZWKOTPCHSA-N 2 1 288.435 2.355 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000040623519 174356058 /nfs/dbraw/zinc/35/60/58/174356058.db2.gz QSAZWXVGSDKIHC-LBPRGKRZSA-N 2 1 253.415 2.271 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)s1 ZINC000040623519 174356060 /nfs/dbraw/zinc/35/60/60/174356060.db2.gz QSAZWXVGSDKIHC-LBPRGKRZSA-N 2 1 253.415 2.271 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000040736080 174389031 /nfs/dbraw/zinc/38/90/31/174389031.db2.gz DXZYDDYZAFUVCX-WWGRRREGSA-N 2 1 262.397 2.253 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000070087821 414766652 /nfs/dbraw/zinc/76/66/52/414766652.db2.gz UVAJAHDEKKJYNX-UHFFFAOYSA-N 2 1 283.460 2.083 20 0 CEADMP CC[C@@H]1CO[C@@H](CC)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000403773236 414767460 /nfs/dbraw/zinc/76/74/60/414767460.db2.gz DIDOEXOCKSKLBA-CABCVRRESA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+](CC[NH2+][C@@H]1CCOC(C)(C)C1)C1CCCC1 ZINC000070362054 414771333 /nfs/dbraw/zinc/77/13/33/414771333.db2.gz DELNJWROONGWRS-CYBMUJFWSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@@H+](CC[NH2+][C@@H]1CCOC(C)(C)C1)C1CCCC1 ZINC000070362054 414771338 /nfs/dbraw/zinc/77/13/38/414771338.db2.gz DELNJWROONGWRS-CYBMUJFWSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(NC(C)=O)cc2)CC[C@@H]1[NH3+] ZINC000122246706 414789429 /nfs/dbraw/zinc/78/94/29/414789429.db2.gz NZAIILUZQAPSIL-ZBFHGGJFSA-N 2 1 275.396 2.204 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404279808 414778847 /nfs/dbraw/zinc/77/88/47/414778847.db2.gz AAAHVZTUXAROOF-AAEUAGOBSA-N 2 1 267.442 2.443 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(NC(C)=O)cc2)CC[C@@H]1[NH3+] ZINC000122246891 414789682 /nfs/dbraw/zinc/78/96/82/414789682.db2.gz NZAIILUZQAPSIL-HOCLYGCPSA-N 2 1 275.396 2.204 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2F)CC[C@@H]1[NH3+] ZINC000122888606 414792347 /nfs/dbraw/zinc/79/23/47/414792347.db2.gz BDMIKFVMUMUKOK-OCCSQVGLSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@H]1CN(C)c2ccccc2C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420322165 414806135 /nfs/dbraw/zinc/80/61/35/414806135.db2.gz SGRYCWTZOZQOPE-LSDHHAIUSA-N 2 1 273.424 2.327 20 0 CEADMP C(C[N@H+]1CCC[C@H](N2CCOCC2)CC1)C1CCC1 ZINC000660472069 414839114 /nfs/dbraw/zinc/83/91/14/414839114.db2.gz BTJDPVHSUDEIOX-INIZCTEOSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657294955 414840391 /nfs/dbraw/zinc/84/03/91/414840391.db2.gz XZLCQOGIMASKEO-UHFFFAOYSA-N 2 1 261.394 2.480 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C)CCN1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660630220 414905484 /nfs/dbraw/zinc/90/54/84/414905484.db2.gz OHHYPXDCTGPKTE-IXDOHACOSA-N 2 1 281.488 2.236 20 0 CEADMP CC(C)[C@H]1C[NH+](C)CCN1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660630220 414905487 /nfs/dbraw/zinc/90/54/87/414905487.db2.gz OHHYPXDCTGPKTE-IXDOHACOSA-N 2 1 281.488 2.236 20 0 CEADMP CC(C)[C@H]1C[NH+](C)CCN1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660630220 414905491 /nfs/dbraw/zinc/90/54/91/414905491.db2.gz OHHYPXDCTGPKTE-IXDOHACOSA-N 2 1 281.488 2.236 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C)CCN1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660630222 414906795 /nfs/dbraw/zinc/90/67/95/414906795.db2.gz OHHYPXDCTGPKTE-ZACQAIPSSA-N 2 1 281.488 2.236 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCO1 ZINC000663345588 414921403 /nfs/dbraw/zinc/92/14/03/414921403.db2.gz LIEASUVSJFTXRD-BMFZPTHFSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H](C(=O)NCC1([NH+](C)C)CCCCCC1)[NH+]1CC(C)C1 ZINC000654397042 414925023 /nfs/dbraw/zinc/92/50/23/414925023.db2.gz SGCQNHLZUMFCPT-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)cn1 ZINC000660663477 414925170 /nfs/dbraw/zinc/92/51/70/414925170.db2.gz OBUVIUKWGHBIRU-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP CO[C@@H](C)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675050 414929288 /nfs/dbraw/zinc/92/92/88/414929288.db2.gz FWIFMRFTYJONFD-AWEZNQCLSA-N 2 1 262.397 2.276 20 0 CEADMP C[NH+](C)CC1(C[NH2+]Cc2cnn3c2CCC3)CCCC1 ZINC000657436160 414935154 /nfs/dbraw/zinc/93/51/54/414935154.db2.gz SMXQSKYRDUFQHP-UHFFFAOYSA-N 2 1 276.428 2.041 20 0 CEADMP C[C@@H](Cc1[nH]cc[nH+]1)OCc1cccc2c1CC[NH2+]C2 ZINC000663380737 414937936 /nfs/dbraw/zinc/93/79/36/414937936.db2.gz WLPOVWPAGWYEDI-LBPRGKRZSA-N 2 1 271.364 2.203 20 0 CEADMP COCC[N@H+](C)CCCNc1[nH+]ccc2c(N)cccc21 ZINC000663387625 414938966 /nfs/dbraw/zinc/93/89/66/414938966.db2.gz LTUBHFJDEVDHIN-UHFFFAOYSA-N 2 1 288.395 2.197 20 0 CEADMP COCC[N@@H+](C)CCCNc1[nH+]ccc2c(N)cccc21 ZINC000663387625 414938970 /nfs/dbraw/zinc/93/89/70/414938970.db2.gz LTUBHFJDEVDHIN-UHFFFAOYSA-N 2 1 288.395 2.197 20 0 CEADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C(C)(C)C)n1 ZINC000314290130 414869022 /nfs/dbraw/zinc/86/90/22/414869022.db2.gz FDMIKPCFMJNHAZ-YOEHRIQHSA-N 2 1 290.455 2.278 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CO[C@@H](CC)C2)[C@H](C)C1 ZINC000657362412 414886721 /nfs/dbraw/zinc/88/67/21/414886721.db2.gz BZIUJDRAVZRWRE-QZWWFDLISA-N 2 1 298.471 2.281 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CO1 ZINC000657366690 414890052 /nfs/dbraw/zinc/89/00/52/414890052.db2.gz JNZBRWHHARMKKR-QKPAOTATSA-N 2 1 284.444 2.033 20 0 CEADMP CC(C)[C@H]([NH3+])CCN[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000663503397 414973159 /nfs/dbraw/zinc/97/31/59/414973159.db2.gz RAOKRZSOPBZEEX-JQHSSLGASA-N 2 1 289.467 2.470 20 0 CEADMP CC(C)[C@H]([NH3+])CCN[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000663503397 414973164 /nfs/dbraw/zinc/97/31/64/414973164.db2.gz RAOKRZSOPBZEEX-JQHSSLGASA-N 2 1 289.467 2.470 20 0 CEADMP C[NH2+]C[C@H](C)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000663509418 414977880 /nfs/dbraw/zinc/97/78/80/414977880.db2.gz XWYPOCPFFYMRHC-HNNXBMFYSA-N 2 1 277.456 2.342 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1C ZINC000657499999 414978166 /nfs/dbraw/zinc/97/81/66/414978166.db2.gz KGXJHQRXNFCARB-AEFFLSMTSA-N 2 1 298.434 2.164 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)n1C ZINC000657499999 414978172 /nfs/dbraw/zinc/97/81/72/414978172.db2.gz KGXJHQRXNFCARB-AEFFLSMTSA-N 2 1 298.434 2.164 20 0 CEADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C)C[NH2+]C ZINC000663514392 414979719 /nfs/dbraw/zinc/97/97/19/414979719.db2.gz QWAXTUGBYDYSNM-OCCSQVGLSA-N 2 1 280.412 2.222 20 0 CEADMP COc1ccccc1C[N@@H+](C)CCCc1cncn1C ZINC000653487155 415011115 /nfs/dbraw/zinc/01/11/15/415011115.db2.gz JQRBSVDPBSQTOF-UHFFFAOYSA-N 2 1 273.380 2.493 20 0 CEADMP COc1ccccc1C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000653487155 415011126 /nfs/dbraw/zinc/01/11/26/415011126.db2.gz JQRBSVDPBSQTOF-UHFFFAOYSA-N 2 1 273.380 2.493 20 0 CEADMP CC1(C)OCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463605 414960328 /nfs/dbraw/zinc/96/03/28/414960328.db2.gz AJRAILCLZVVQGN-HUUCEWRRSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+](CC3CC3)C2)[C@H](C)C1 ZINC000663472228 414965614 /nfs/dbraw/zinc/96/56/14/414965614.db2.gz ZVMXBJGONLLQID-NXHRZFHOSA-N 3 1 293.499 2.428 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)[C@H](C)C1 ZINC000663472228 414965618 /nfs/dbraw/zinc/96/56/18/414965618.db2.gz ZVMXBJGONLLQID-NXHRZFHOSA-N 2 1 293.499 2.428 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)[C@H](C)C1 ZINC000663472228 414965621 /nfs/dbraw/zinc/96/56/21/414965621.db2.gz ZVMXBJGONLLQID-NXHRZFHOSA-N 2 1 293.499 2.428 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](CC3CC3)C2)[C@H](C)C1 ZINC000663472228 414965624 /nfs/dbraw/zinc/96/56/24/414965624.db2.gz ZVMXBJGONLLQID-NXHRZFHOSA-N 3 1 293.499 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](CC3CC3)C2)[C@H](C)C1 ZINC000663472228 414965628 /nfs/dbraw/zinc/96/56/28/414965628.db2.gz ZVMXBJGONLLQID-NXHRZFHOSA-N 3 1 293.499 2.428 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)[C@H](C)C1 ZINC000663472228 414965631 /nfs/dbraw/zinc/96/56/31/414965631.db2.gz ZVMXBJGONLLQID-NXHRZFHOSA-N 3 1 293.499 2.428 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)[C@H](C)C1 ZINC000663472228 414965634 /nfs/dbraw/zinc/96/56/34/414965634.db2.gz ZVMXBJGONLLQID-NXHRZFHOSA-N 3 1 293.499 2.428 20 0 CEADMP C[C@H](CCCCO)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469096 414965807 /nfs/dbraw/zinc/96/58/07/414965807.db2.gz OLVDTNFQVUEQKK-ZBFHGGJFSA-N 2 1 268.445 2.249 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1ccnn1CC1CC1)C1CC1 ZINC000657486644 414967561 /nfs/dbraw/zinc/96/75/61/414967561.db2.gz ABAIKGNGZHKQCR-UHFFFAOYSA-N 2 1 276.428 2.257 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000653608362 415051110 /nfs/dbraw/zinc/05/11/10/415051110.db2.gz NXBIFWDZTLDXKS-NVXWUHKLSA-N 2 1 292.423 2.049 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000653608362 415051115 /nfs/dbraw/zinc/05/11/15/415051115.db2.gz NXBIFWDZTLDXKS-NVXWUHKLSA-N 2 1 292.423 2.049 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000653608588 415051571 /nfs/dbraw/zinc/05/15/71/415051571.db2.gz XPCVSUSBHYYMCO-LVQVYYBASA-N 2 1 270.461 2.349 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000657809000 415087331 /nfs/dbraw/zinc/08/73/31/415087331.db2.gz RQDJKKSVKMKBJT-MWQQHZPXSA-N 2 1 274.408 2.152 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000657809000 415087336 /nfs/dbraw/zinc/08/73/36/415087336.db2.gz RQDJKKSVKMKBJT-MWQQHZPXSA-N 2 1 274.408 2.152 20 0 CEADMP C[C@H]1CCC[C@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)O1 ZINC000657669382 415043500 /nfs/dbraw/zinc/04/35/00/415043500.db2.gz YHQKROUKARSVST-GXTWGEPZSA-N 2 1 263.385 2.195 20 0 CEADMP C([NH2+][C@H]1CCCSCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000657834889 415098683 /nfs/dbraw/zinc/09/86/83/415098683.db2.gz MNLIXMQJKZZEJW-STQMWFEESA-N 2 1 254.443 2.346 20 0 CEADMP C([NH2+][C@@H]1CCCSCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000657834879 415098925 /nfs/dbraw/zinc/09/89/25/415098925.db2.gz MNLIXMQJKZZEJW-CHWSQXEVSA-N 2 1 254.443 2.346 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000657838737 415100974 /nfs/dbraw/zinc/10/09/74/415100974.db2.gz XTAKBKSATKBMJH-ULQDDVLXSA-N 2 1 296.455 2.035 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000657838737 415100978 /nfs/dbraw/zinc/10/09/78/415100978.db2.gz XTAKBKSATKBMJH-ULQDDVLXSA-N 2 1 296.455 2.035 20 0 CEADMP CCOC1CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000657876465 415109627 /nfs/dbraw/zinc/10/96/27/415109627.db2.gz MMDDKKGAMQXQBF-WLYUNCDWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(C)(C)C(F)F ZINC000657878197 415113266 /nfs/dbraw/zinc/11/32/66/415113266.db2.gz FDASMRPRLPSHGI-QWHCGFSZSA-N 2 1 292.414 2.493 20 0 CEADMP COC1([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000658035586 415167691 /nfs/dbraw/zinc/16/76/91/415167691.db2.gz OSXOIMHNWTWJTR-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000044495136 175182523 /nfs/dbraw/zinc/18/25/23/175182523.db2.gz RVFHGPXCWFDTBP-AWEZNQCLSA-N 2 1 264.417 2.430 20 0 CEADMP CCC[NH+]1CCC(N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000658092370 415205968 /nfs/dbraw/zinc/20/59/68/415205968.db2.gz QBKWGHYHCFIOJC-OAHLLOKOSA-N 2 1 267.461 2.323 20 0 CEADMP CC(C)[NH+]1CCC(N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000658091688 415207410 /nfs/dbraw/zinc/20/74/10/415207410.db2.gz NCEPCWIWSXRRJS-HNNXBMFYSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@H]1C[N@H+](CCNc2nc3ccccc3n2C)[C@@H](C)CO1 ZINC000664244220 415240894 /nfs/dbraw/zinc/24/08/94/415240894.db2.gz QUZGNGAIZBLOCY-STQMWFEESA-N 2 1 288.395 2.094 20 0 CEADMP C[C@H]1C[N@@H+](CCNc2nc3ccccc3n2C)[C@@H](C)CO1 ZINC000664244220 415240902 /nfs/dbraw/zinc/24/09/02/415240902.db2.gz QUZGNGAIZBLOCY-STQMWFEESA-N 2 1 288.395 2.094 20 0 CEADMP C[C@@H](CCNc1[nH+]c2ccc(F)cc2n1C)[NH+](C)C ZINC000664246915 415241647 /nfs/dbraw/zinc/24/16/47/415241647.db2.gz ZKUCQIPQRIMVKI-JTQLQIEISA-N 2 1 264.348 2.465 20 0 CEADMP C[C@]1(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1(F)F ZINC000658218148 415258209 /nfs/dbraw/zinc/25/82/09/415258209.db2.gz COPCTXQSEVRTDV-KGLIPLIRSA-N 2 1 288.382 2.265 20 0 CEADMP C[C@@H](CO)[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000661443166 415271166 /nfs/dbraw/zinc/27/11/66/415271166.db2.gz MCUIOOMNDUCHRX-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP C[C@H]([NH2+]C/C=C/CO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658141364 415226363 /nfs/dbraw/zinc/22/63/63/415226363.db2.gz VDBAZRRKYIJHQR-QRBHQTINSA-N 2 1 274.408 2.035 20 0 CEADMP c1coc(CCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000658324994 415318885 /nfs/dbraw/zinc/31/88/85/415318885.db2.gz JHXIXGBFXSDSRR-OAHLLOKOSA-N 2 1 278.396 2.055 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(O)CCC(F)(F)CC2)[C@@H](C)C1 ZINC000658323360 415319521 /nfs/dbraw/zinc/31/95/21/415319521.db2.gz PRESFVCUVOGKHW-STQMWFEESA-N 2 1 290.398 2.247 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CC(N)=O)CCCCC2)[C@@H](C)C1 ZINC000658337303 415322883 /nfs/dbraw/zinc/32/28/83/415322883.db2.gz FZUSVHAAGPSWLV-GJZGRUSLSA-N 2 1 295.471 2.132 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C2CCCCC2)C1 ZINC000661577462 415337036 /nfs/dbraw/zinc/33/70/36/415337036.db2.gz BFMDAGLCGDENLN-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000661577462 415337041 /nfs/dbraw/zinc/33/70/41/415337041.db2.gz BFMDAGLCGDENLN-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000661577462 415337045 /nfs/dbraw/zinc/33/70/45/415337045.db2.gz BFMDAGLCGDENLN-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP C(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COC1CCCC1 ZINC000655703890 415398566 /nfs/dbraw/zinc/39/85/66/415398566.db2.gz MMNOBEUSOOILRY-INIZCTEOSA-N 2 1 296.455 2.179 20 0 CEADMP CO[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)C ZINC000655718949 415409705 /nfs/dbraw/zinc/40/97/05/415409705.db2.gz QUIHBYACDNYHCV-HOTGVXAUSA-N 2 1 298.471 2.281 20 0 CEADMP FC(F)(F)CCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655719856 415411650 /nfs/dbraw/zinc/41/16/50/415411650.db2.gz YWHDADOYPMVSHL-LBPRGKRZSA-N 2 1 280.334 2.172 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1(C)C ZINC000655722017 415411770 /nfs/dbraw/zinc/41/17/70/415411770.db2.gz UVSDWMDPNOPWMO-BZUAXINKSA-N 2 1 296.455 2.033 20 0 CEADMP CCC(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655760051 415440463 /nfs/dbraw/zinc/44/04/63/415440463.db2.gz VUHRCDYXJWZNFV-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)O ZINC000655760186 415440582 /nfs/dbraw/zinc/44/05/82/415440582.db2.gz LQCKPZYFSVYHGY-CVEARBPZSA-N 2 1 298.471 2.015 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000661759481 415447596 /nfs/dbraw/zinc/44/75/96/415447596.db2.gz WGTHWQDRCVULCD-IRXDYDNUSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000661759481 415447601 /nfs/dbraw/zinc/44/76/01/415447601.db2.gz WGTHWQDRCVULCD-IRXDYDNUSA-N 2 1 276.424 2.258 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCn3ccnc32)C1 ZINC000655776403 415454892 /nfs/dbraw/zinc/45/48/92/415454892.db2.gz JDHDFMSVOBJPBU-KBPBESRZSA-N 2 1 262.401 2.040 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000655779324 415458377 /nfs/dbraw/zinc/45/83/77/415458377.db2.gz IUDGCXLEKQMYBA-QMCVQRASSA-N 2 1 278.440 2.408 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCCc2c(F)cccc2F)C1 ZINC000655937285 415556396 /nfs/dbraw/zinc/55/63/96/415556396.db2.gz ZBCZLVXBKZSXFA-LLVKDONJSA-N 2 1 254.324 2.178 20 0 CEADMP c1ccc2c(CC[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)noc2c1 ZINC000655940898 415558952 /nfs/dbraw/zinc/55/89/52/415558952.db2.gz GRPXJXUVFZDABB-KRWDZBQOSA-N 2 1 285.391 2.446 20 0 CEADMP c1ccc2c(CC[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)noc2c1 ZINC000655940898 415558954 /nfs/dbraw/zinc/55/89/54/415558954.db2.gz GRPXJXUVFZDABB-KRWDZBQOSA-N 2 1 285.391 2.446 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCc1noc2ccccc12 ZINC000655941384 415560815 /nfs/dbraw/zinc/56/08/15/415560815.db2.gz SBWBHFZAUYTKAV-WQGACYEGSA-N 2 1 273.380 2.346 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CCC(F)CC1 ZINC000661998310 415564792 /nfs/dbraw/zinc/56/47/92/415564792.db2.gz JDEBDUFEOLIVHD-PNESKVBLSA-N 2 1 253.365 2.469 20 0 CEADMP CN(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656196099 415631009 /nfs/dbraw/zinc/63/10/09/415631009.db2.gz YVAGCTJLBFMILH-BBWFWOEESA-N 2 1 275.440 2.019 20 0 CEADMP COC[C@H](CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)OC ZINC000665234492 415634420 /nfs/dbraw/zinc/63/44/20/415634420.db2.gz DKEYCGUOWCKGIP-ULQDDVLXSA-N 2 1 292.423 2.121 20 0 CEADMP C[C@H](Cc1[nH]cc[nH+]1)OC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000566184277 298953632 /nfs/dbraw/zinc/95/36/32/298953632.db2.gz KAQNLKTVLBEQQC-JHJVBQTASA-N 2 1 251.374 2.122 20 0 CEADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1OC ZINC000665242273 415644796 /nfs/dbraw/zinc/64/47/96/415644796.db2.gz QXDLGSNSOWGSIC-SCRDCRAPSA-N 2 1 278.396 2.147 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2ccon2)CC1 ZINC000662049302 415599876 /nfs/dbraw/zinc/59/98/76/415599876.db2.gz WDMWYGMQDUSTEQ-UHFFFAOYSA-N 2 1 274.368 2.220 20 0 CEADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000665252621 415652016 /nfs/dbraw/zinc/65/20/16/415652016.db2.gz UUEVOBFZXAPAMQ-FVVUREQNSA-N 3 1 299.462 2.110 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@]1(C)CO ZINC000662148833 415658244 /nfs/dbraw/zinc/65/82/44/415658244.db2.gz LIFSIMXIIMTRFZ-RHSMWYFYSA-N 2 1 285.391 2.323 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000665274681 415663831 /nfs/dbraw/zinc/66/38/31/415663831.db2.gz VTZDYWUYFPCDBU-LSDHHAIUSA-N 2 1 276.428 2.437 20 0 CEADMP Cc1cccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662161080 415665023 /nfs/dbraw/zinc/66/50/23/415665023.db2.gz REKSGGGUSRRPSI-QGZVFWFLSA-N 2 1 274.408 2.026 20 0 CEADMP Cc1cccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662161080 415665027 /nfs/dbraw/zinc/66/50/27/415665027.db2.gz REKSGGGUSRRPSI-QGZVFWFLSA-N 2 1 274.408 2.026 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000665297893 415685589 /nfs/dbraw/zinc/68/55/89/415685589.db2.gz NTTXLIQUXHVZAS-QWRGUYRKSA-N 2 1 256.340 2.483 20 0 CEADMP O=c1cc(C[N@H+]2CCC[C@H](n3ccnc3)C2)nc(C2CC2)[nH]1 ZINC000656433079 415695048 /nfs/dbraw/zinc/69/50/48/415695048.db2.gz CRAFBQNQMRSKQC-AWEZNQCLSA-N 2 1 299.378 2.093 20 0 CEADMP O=c1cc(CN2CCC[C@H](n3ccnc3)C2)nc(C2CC2)[nH]1 ZINC000656433079 415695054 /nfs/dbraw/zinc/69/50/54/415695054.db2.gz CRAFBQNQMRSKQC-AWEZNQCLSA-N 2 1 299.378 2.093 20 0 CEADMP CCOC(=O)CCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000071297767 176112890 /nfs/dbraw/zinc/11/28/90/176112890.db2.gz APFBVRKXKSDAMG-YIONKMFJSA-N 2 1 282.428 2.325 20 0 CEADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000071302572 176114458 /nfs/dbraw/zinc/11/44/58/176114458.db2.gz NQEKNNZLBLCQDR-GOSISDBHSA-N 2 1 288.435 2.054 20 0 CEADMP CCCCC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000662251142 415717103 /nfs/dbraw/zinc/71/71/03/415717103.db2.gz ZWKLQCVMKPLSOV-AWEZNQCLSA-N 2 1 254.418 2.408 20 0 CEADMP c1cc([C@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)n[nH]1 ZINC000662251915 415717209 /nfs/dbraw/zinc/71/72/09/415717209.db2.gz IOCPIDJBJISKBF-INIZCTEOSA-N 2 1 296.418 2.435 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254375 415720929 /nfs/dbraw/zinc/72/09/29/415720929.db2.gz HRGDZEZKLSTFRM-HYVNUMGLSA-N 2 1 286.419 2.385 20 0 CEADMP C[C@H]1c2ccccc2CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258463 415724407 /nfs/dbraw/zinc/72/44/07/415724407.db2.gz VAETZBLVVSWRHA-DZGCQCFKSA-N 2 1 272.392 2.127 20 0 CEADMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000662261109 415727997 /nfs/dbraw/zinc/72/79/97/415727997.db2.gz UKEOHTKDGHGURF-MRXNPFEDSA-N 2 1 296.418 2.435 20 0 CEADMP CCC[N@H+](Cc1conc1CC)C1CC[NH2+]CC1 ZINC000662263002 415728885 /nfs/dbraw/zinc/72/88/85/415728885.db2.gz JWEHDIZRWLIDFO-UHFFFAOYSA-N 2 1 251.374 2.201 20 0 CEADMP CCC[N@@H+](Cc1conc1CC)C1CC[NH2+]CC1 ZINC000662263002 415728892 /nfs/dbraw/zinc/72/88/92/415728892.db2.gz JWEHDIZRWLIDFO-UHFFFAOYSA-N 2 1 251.374 2.201 20 0 CEADMP CO[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000662264294 415729646 /nfs/dbraw/zinc/72/96/46/415729646.db2.gz HWLCSYFOCJWMKV-VFSICIBPSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249433 415710275 /nfs/dbraw/zinc/71/02/75/415710275.db2.gz NOJCGVOFSOCBIE-AWEZNQCLSA-N 2 1 280.799 2.293 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(C)C)CCO1 ZINC000662248090 415712314 /nfs/dbraw/zinc/71/23/14/415712314.db2.gz SRWLMLPQYUQLIP-IHRRRGAJSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@@H](C[N@H+](C)C1(C[NH3+])CCC1)C1CCCCC1 ZINC000662273316 415739471 /nfs/dbraw/zinc/73/94/71/415739471.db2.gz LQUWMYKIZONZJV-AWEZNQCLSA-N 2 1 254.418 2.395 20 0 CEADMP CO[C@@H](C[N@@H+](C)C1(C[NH3+])CCC1)C1CCCCC1 ZINC000662273316 415739475 /nfs/dbraw/zinc/73/94/75/415739475.db2.gz LQUWMYKIZONZJV-AWEZNQCLSA-N 2 1 254.418 2.395 20 0 CEADMP CO[C@@H](C[N@H+]1CCCC[C@H]1CC[NH3+])C1CCCC1 ZINC000662273151 415740670 /nfs/dbraw/zinc/74/06/70/415740670.db2.gz LVJBZUJJXSBCLZ-GJZGRUSLSA-N 2 1 254.418 2.395 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H](OC)C2CCCC2)CC[C@H]1[NH3+] ZINC000662271774 415735734 /nfs/dbraw/zinc/73/57/34/415735734.db2.gz IWLXHSYOMHPUPV-YUELXQCFSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1CCC1 ZINC000662274133 415737996 /nfs/dbraw/zinc/73/79/96/415737996.db2.gz FDCOQBGGOKBYLR-ARFHVFGLSA-N 2 1 266.429 2.123 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc(C)n1 ZINC000662293849 415759958 /nfs/dbraw/zinc/75/99/58/415759958.db2.gz OQMBMRPHDRWCSO-INIZCTEOSA-N 2 1 288.439 2.305 20 0 CEADMP c1c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)nn2c1CCC2 ZINC000662294578 415759976 /nfs/dbraw/zinc/75/99/76/415759976.db2.gz QYWPXJAGCRVCMZ-HNNXBMFYSA-N 2 1 288.439 2.041 20 0 CEADMP C[NH2+]C[C@](C)(O)C[NH2+][C@@H](c1ccccc1F)C(C)C ZINC000662302271 415764727 /nfs/dbraw/zinc/76/47/27/415764727.db2.gz LRBOOZAEEAJKCM-CABCVRRESA-N 2 1 268.376 2.083 20 0 CEADMP C[NH2+]CCC[N@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000662310664 415771963 /nfs/dbraw/zinc/77/19/63/415771963.db2.gz MBRUTVKQWCIXMK-INIZCTEOSA-N 2 1 262.397 2.268 20 0 CEADMP CC(C)=CCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000659908725 415773654 /nfs/dbraw/zinc/77/36/54/415773654.db2.gz GHYAJUNBLXPQMW-KRWDZBQOSA-N 2 1 279.472 2.445 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H](C3CCC3)C2)n1 ZINC000662316679 415775485 /nfs/dbraw/zinc/77/54/85/415775485.db2.gz LVYPCIPTWQIAHI-LBPRGKRZSA-N 2 1 278.400 2.276 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H](C3CCC3)C2)n1 ZINC000662316679 415775488 /nfs/dbraw/zinc/77/54/88/415775488.db2.gz LVYPCIPTWQIAHI-LBPRGKRZSA-N 2 1 278.400 2.276 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@H+]([C@@H]2C=CCCC2)CCO1 ZINC000662318910 415777373 /nfs/dbraw/zinc/77/73/73/415777373.db2.gz AWPFMBWXJKFAGR-CABCVRRESA-N 2 1 252.402 2.138 20 0 CEADMP CCc1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)o1 ZINC000662293411 415754726 /nfs/dbraw/zinc/75/47/26/415754726.db2.gz RTJOKQNAOXPUKO-CQSZACIVSA-N 2 1 277.412 2.449 20 0 CEADMP COc1ccc(C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cn1 ZINC000662296775 415758427 /nfs/dbraw/zinc/75/84/27/415758427.db2.gz UKAQZJGTADHGAB-UHFFFAOYSA-N 2 1 297.402 2.368 20 0 CEADMP COCC[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293715 415758601 /nfs/dbraw/zinc/75/86/01/415758601.db2.gz MLRXCHDHIBOUOL-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP CC[NH+](CC)CCCN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293855 415758672 /nfs/dbraw/zinc/75/86/72/415758672.db2.gz UCWLHERTCLOSGB-KRWDZBQOSA-N 2 1 281.488 2.430 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662439027 415844724 /nfs/dbraw/zinc/84/47/24/415844724.db2.gz GZKKEFYOUVJWQU-CZUORRHYSA-N 2 1 289.423 2.068 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662439026 415845369 /nfs/dbraw/zinc/84/53/69/415845369.db2.gz GZKKEFYOUVJWQU-CJNGLKHVSA-N 2 1 289.423 2.068 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000662325361 415780626 /nfs/dbraw/zinc/78/06/26/415780626.db2.gz FDXOYZNNOBJNBH-FZKCQIBNSA-N 2 1 266.429 2.075 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662323496 415781057 /nfs/dbraw/zinc/78/10/57/415781057.db2.gz RIFKFSUWUIWYCL-JKSUJKDBSA-N 2 1 268.445 2.249 20 0 CEADMP FC(F)(F)C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000662326571 415784048 /nfs/dbraw/zinc/78/40/48/415784048.db2.gz WDYVQKGFKQUFGU-GFCCVEGCSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000662326571 415784050 /nfs/dbraw/zinc/78/40/50/415784050.db2.gz WDYVQKGFKQUFGU-GFCCVEGCSA-N 2 1 280.334 2.029 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCN(C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000659949293 415800996 /nfs/dbraw/zinc/80/09/96/415800996.db2.gz SIFYFWSZLMLQOI-ZACQAIPSSA-N 2 1 281.488 2.238 20 0 CEADMP CC[NH+](CC)[C@H]1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000659968962 415814030 /nfs/dbraw/zinc/81/40/30/415814030.db2.gz MJQCHKKQDYIDQJ-BBWFWOEESA-N 2 1 281.488 2.380 20 0 CEADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC000659973492 415818104 /nfs/dbraw/zinc/81/81/04/415818104.db2.gz FQPXNAVGONSERM-UONOGXRCSA-N 2 1 288.382 2.074 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC000659973492 415818110 /nfs/dbraw/zinc/81/81/10/415818110.db2.gz FQPXNAVGONSERM-UONOGXRCSA-N 2 1 288.382 2.074 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000659973492 415818115 /nfs/dbraw/zinc/81/81/15/415818115.db2.gz FQPXNAVGONSERM-UONOGXRCSA-N 2 1 288.382 2.074 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000659973492 415818120 /nfs/dbraw/zinc/81/81/20/415818120.db2.gz FQPXNAVGONSERM-UONOGXRCSA-N 2 1 288.382 2.074 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCC(=O)NCC(C)C)C1 ZINC000659977211 415822261 /nfs/dbraw/zinc/82/22/61/415822261.db2.gz XFJJVWQQQSDSAL-MRXNPFEDSA-N 2 1 297.487 2.203 20 0 CEADMP CC(C)[C@H]1[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC12CC=CC2 ZINC000656700711 415823433 /nfs/dbraw/zinc/82/34/33/415823433.db2.gz SQAUXRJUUBCKJJ-JKSUJKDBSA-N 2 1 280.456 2.364 20 0 CEADMP CC(C)[C@H]1[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC12CC=CC2 ZINC000656700711 415823439 /nfs/dbraw/zinc/82/34/39/415823439.db2.gz SQAUXRJUUBCKJJ-JKSUJKDBSA-N 2 1 280.456 2.364 20 0 CEADMP CC(C)[C@H]1[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC12CC=CC2 ZINC000656700711 415823442 /nfs/dbraw/zinc/82/34/42/415823442.db2.gz SQAUXRJUUBCKJJ-JKSUJKDBSA-N 2 1 280.456 2.364 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCC3CCC3)CC2)C1 ZINC000660073593 415869656 /nfs/dbraw/zinc/86/96/56/415869656.db2.gz DMESEFIVOCKHFD-QGZVFWFLSA-N 2 1 279.472 2.279 20 0 CEADMP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000660075399 415871962 /nfs/dbraw/zinc/87/19/62/415871962.db2.gz YOYXVPQONRKBHN-GUDVDZBRSA-N 2 1 299.462 2.254 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000660075399 415871966 /nfs/dbraw/zinc/87/19/66/415871966.db2.gz YOYXVPQONRKBHN-GUDVDZBRSA-N 2 1 299.462 2.254 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660118031 415889739 /nfs/dbraw/zinc/88/97/39/415889739.db2.gz SJIFFQADMNWSQK-RNGXCGTMSA-N 2 1 278.440 2.216 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000660122516 415891206 /nfs/dbraw/zinc/89/12/06/415891206.db2.gz WWFHCCYTBCHKQC-KFWWJZLASA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000660122516 415891211 /nfs/dbraw/zinc/89/12/11/415891211.db2.gz WWFHCCYTBCHKQC-KFWWJZLASA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000660122516 415891213 /nfs/dbraw/zinc/89/12/13/415891213.db2.gz WWFHCCYTBCHKQC-KFWWJZLASA-N 2 1 256.434 2.056 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]2CCN(C)C[C@@H]21)C1CCCC1 ZINC000660223028 415929973 /nfs/dbraw/zinc/92/99/73/415929973.db2.gz BGZCGYLXEKEIFE-CWRNSKLLSA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782426 415857842 /nfs/dbraw/zinc/85/78/42/415857842.db2.gz GSCNLNHKAZLPNQ-OAHLLOKOSA-N 3 1 267.461 2.086 20 0 CEADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782426 415857846 /nfs/dbraw/zinc/85/78/46/415857846.db2.gz GSCNLNHKAZLPNQ-OAHLLOKOSA-N 3 1 267.461 2.086 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccn1 ZINC000656785582 415861542 /nfs/dbraw/zinc/86/15/42/415861542.db2.gz MJPJTMAMNNRGIZ-MRXNPFEDSA-N 2 1 259.397 2.293 20 0 CEADMP CCOc1cc(C[NH2+]CC2([NH3+])CCCC2)ccc1OC ZINC000656788286 415862123 /nfs/dbraw/zinc/86/21/23/415862123.db2.gz HVXJONXUOJKOBQ-UHFFFAOYSA-N 2 1 278.396 2.455 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788335 415862615 /nfs/dbraw/zinc/86/26/15/415862615.db2.gz JWPVCSSETCMDBP-UHFFFAOYSA-N 2 1 261.369 2.006 20 0 CEADMP C[C@H]1C[C@@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000656789346 415864170 /nfs/dbraw/zinc/86/41/70/415864170.db2.gz NHGHJBGPEOBNJR-CWLKWCNXSA-N 3 1 287.451 2.110 20 0 CEADMP COC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000656790480 415865170 /nfs/dbraw/zinc/86/51/70/415865170.db2.gz UZZQZHJGFAPDEP-KBRIMQKVSA-N 2 1 292.423 2.013 20 0 CEADMP Cc1cccc([C@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2)c1 ZINC000660250554 415942980 /nfs/dbraw/zinc/94/29/80/415942980.db2.gz ZCVJBLKIRJLPFO-ZWKOTPCHSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1cccc([C@H]2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2)c1 ZINC000660250554 415942983 /nfs/dbraw/zinc/94/29/83/415942983.db2.gz ZCVJBLKIRJLPFO-ZWKOTPCHSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1cccc([C@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660250554 415942987 /nfs/dbraw/zinc/94/29/87/415942987.db2.gz ZCVJBLKIRJLPFO-ZWKOTPCHSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1cccc([C@H]2CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660250554 415942989 /nfs/dbraw/zinc/94/29/89/415942989.db2.gz ZCVJBLKIRJLPFO-ZWKOTPCHSA-N 2 1 290.451 2.485 20 0 CEADMP Cn1cccc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000078607647 177359248 /nfs/dbraw/zinc/35/92/48/177359248.db2.gz FIYKIPVRMCNQPU-UHFFFAOYSA-N 2 1 299.418 2.147 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCCOC(C)(C)C)C1 ZINC000354910282 227225103 /nfs/dbraw/zinc/22/51/03/227225103.db2.gz FZPPOLDLNCWITJ-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP CCn1nncc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000417959129 228024917 /nfs/dbraw/zinc/02/49/17/228024917.db2.gz DDWQBBYKCGCZEV-UHFFFAOYSA-N 2 1 299.422 2.184 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1OC ZINC000666770714 419424337 /nfs/dbraw/zinc/42/43/37/419424337.db2.gz SRHRBMDXYSICJH-UKRRQHHQSA-N 2 1 292.423 2.367 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858935 419449703 /nfs/dbraw/zinc/44/97/03/419449703.db2.gz IXIIQMFTSWHBOM-QLFBSQMISA-N 3 1 253.434 2.029 20 0 CEADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CCC[NH2+]CC3)CCN2)cc1 ZINC000666858949 419450631 /nfs/dbraw/zinc/45/06/31/419450631.db2.gz MTASHLNBSNWVSS-IKGGRYGDSA-N 2 1 273.424 2.211 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2nccc3ccccc32)CC[NH2+]1 ZINC000666873228 419453624 /nfs/dbraw/zinc/45/36/24/419453624.db2.gz INFILROTQMIZLR-TZMCWYRMSA-N 2 1 255.365 2.465 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)n2c1 ZINC000666996854 419505479 /nfs/dbraw/zinc/50/54/79/419505479.db2.gz IMVKVHNNIUSKCJ-CQSZACIVSA-N 2 1 284.407 2.407 20 0 CEADMP CC[N@@H+]1CC[C@@H](N(C)Cc2c[nH+]c(C)n2C)C[C@@H]1C ZINC000667664686 419763591 /nfs/dbraw/zinc/76/35/91/419763591.db2.gz QSGJLHJIVZRTCO-GXTWGEPZSA-N 2 1 264.417 2.033 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2c[nH+]c(C)n2C)C[C@@H]1C ZINC000667664686 419763597 /nfs/dbraw/zinc/76/35/97/419763597.db2.gz QSGJLHJIVZRTCO-GXTWGEPZSA-N 2 1 264.417 2.033 20 0 CEADMP CC1(C)[C@@H]2C[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@@H]21 ZINC000667668879 419765551 /nfs/dbraw/zinc/76/55/51/419765551.db2.gz AFLVBTCOZIUWPC-GASCZTMLSA-N 2 1 268.364 2.355 20 0 CEADMP CC1(C)[C@@H]2C[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@@H]21 ZINC000667668879 419765559 /nfs/dbraw/zinc/76/55/59/419765559.db2.gz AFLVBTCOZIUWPC-GASCZTMLSA-N 2 1 268.364 2.355 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000335640321 287625679 /nfs/dbraw/zinc/62/56/79/287625679.db2.gz YFUNUYQIUHTELO-HIFRSBDPSA-N 2 1 266.429 2.313 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000252231572 270328963 /nfs/dbraw/zinc/32/89/63/270328963.db2.gz ZXODRZFILQTVPI-HIFRSBDPSA-N 2 1 262.397 2.469 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[N@H+]1CC=CCC1 ZINC000392190584 270340717 /nfs/dbraw/zinc/34/07/17/270340717.db2.gz ACFDXQQUZUKIII-HZPDHXFCSA-N 2 1 265.445 2.149 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[N@@H+]1CC=CCC1 ZINC000392190584 270340719 /nfs/dbraw/zinc/34/07/19/270340719.db2.gz ACFDXQQUZUKIII-HZPDHXFCSA-N 2 1 265.445 2.149 20 0 CEADMP CCC[NH2+][C@@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000449127029 260233435 /nfs/dbraw/zinc/23/34/35/260233435.db2.gz WADHSBCQZOGTGD-LSDHHAIUSA-N 2 1 297.487 2.391 20 0 CEADMP CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000495815316 262313378 /nfs/dbraw/zinc/31/33/78/262313378.db2.gz YNRSNNAJKGWTSY-HNNXBMFYSA-N 2 1 297.443 2.073 20 0 CEADMP CCNC(=O)OC[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCC1 ZINC000495815316 262313380 /nfs/dbraw/zinc/31/33/80/262313380.db2.gz YNRSNNAJKGWTSY-HNNXBMFYSA-N 2 1 297.443 2.073 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCOc2ccccc2)C[C@H]1C[NH3+] ZINC000397411533 270354116 /nfs/dbraw/zinc/35/41/16/270354116.db2.gz WAOQZCWHINAVGC-RBSFLKMASA-N 2 1 262.397 2.371 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000518995619 265285125 /nfs/dbraw/zinc/28/51/25/265285125.db2.gz CXIMXNFHGHLKFU-DZGCQCFKSA-N 2 1 262.397 2.439 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CCO)c1ccco1 ZINC000185130465 270245241 /nfs/dbraw/zinc/24/52/41/270245241.db2.gz ATEUXOFSOXIESR-AWEZNQCLSA-N 2 1 277.368 2.278 20 0 CEADMP CCCC[N@@H+](CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227799256 270312045 /nfs/dbraw/zinc/31/20/45/270312045.db2.gz CUFBQATZLHBYBP-HOTGVXAUSA-N 2 1 264.413 2.039 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000237125287 270319858 /nfs/dbraw/zinc/31/98/58/270319858.db2.gz NMFZVJKRCGXJOW-UHFFFAOYSA-N 2 1 297.402 2.477 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000237125287 270319859 /nfs/dbraw/zinc/31/98/59/270319859.db2.gz NMFZVJKRCGXJOW-UHFFFAOYSA-N 2 1 297.402 2.477 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000392294814 270340579 /nfs/dbraw/zinc/34/05/79/270340579.db2.gz QCOKXKLNRQYERL-BRWVUGGUSA-N 3 1 277.456 2.149 20 0 CEADMP C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@@H]1CCCC[NH2+]1 ZINC000395109559 270344848 /nfs/dbraw/zinc/34/48/48/270344848.db2.gz ZAGDOVMUTZPMJF-ZFWWWQNUSA-N 2 1 290.407 2.121 20 0 CEADMP C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000396345958 270349963 /nfs/dbraw/zinc/34/99/63/270349963.db2.gz QNZADHOLDIBWMW-SJLPKXTDSA-N 2 1 287.451 2.192 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C12CCC2 ZINC000422775892 270762286 /nfs/dbraw/zinc/76/22/86/270762286.db2.gz BRYDIFGVCHPMQH-BYCMXARLSA-N 2 1 275.396 2.492 20 0 CEADMP COc1cc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)ccc1C ZINC000422788182 270768891 /nfs/dbraw/zinc/76/88/91/270768891.db2.gz SGDGUHZEVYZILY-UKRRQHHQSA-N 2 1 262.397 2.276 20 0 CEADMP Cc1cccc(O[C@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422790607 270770229 /nfs/dbraw/zinc/77/02/29/270770229.db2.gz PLRDBVZPTRMQRL-FMKPAKJESA-N 2 1 262.397 2.492 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422824826 270785033 /nfs/dbraw/zinc/78/50/33/270785033.db2.gz ONZIUARDCYOMBL-RHSMWYFYSA-N 2 1 284.407 2.002 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422957047 270807741 /nfs/dbraw/zinc/80/77/41/270807741.db2.gz SCOAFIRTJCXQGH-IOASZLSFSA-N 2 1 262.397 2.356 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCC12CCOCC2 ZINC000423304775 270892762 /nfs/dbraw/zinc/89/27/62/270892762.db2.gz ZLACTVAJURRACA-KGLIPLIRSA-N 2 1 254.418 2.443 20 0 CEADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423368415 270905388 /nfs/dbraw/zinc/90/53/88/270905388.db2.gz RXNXSRYJVRYZJN-FXUDXRNXSA-N 2 1 296.455 2.476 20 0 CEADMP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CC2 ZINC000423490630 270917720 /nfs/dbraw/zinc/91/77/20/270917720.db2.gz IIKWVQKCVUOSOP-ZFWWWQNUSA-N 2 1 280.799 2.295 20 0 CEADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccco1 ZINC000423508124 270920700 /nfs/dbraw/zinc/92/07/00/270920700.db2.gz KNFAGUVSUPOLTG-NFOMZHRRSA-N 2 1 277.412 2.147 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C[C@H]2C1 ZINC000424253439 271036558 /nfs/dbraw/zinc/03/65/58/271036558.db2.gz FRBGHTSZBMMVNM-YRDPRMJJSA-N 2 1 278.440 2.406 20 0 CEADMP c1ccc(CN2CC[C@H]3C[N@H+](CC[C@@H]4CC[NH2+]C4)C[C@H]32)cc1 ZINC000424333291 271047508 /nfs/dbraw/zinc/04/75/08/271047508.db2.gz MDJABWQRGHMBLJ-YTQUADARSA-N 2 1 299.462 2.192 20 0 CEADMP C[C@@]1(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]C1 ZINC000424365175 271051112 /nfs/dbraw/zinc/05/11/12/271051112.db2.gz GNLOSZMRKVYSDW-IPMKNSEASA-N 2 1 299.462 2.192 20 0 CEADMP CO[C@@H](C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)C1CC1 ZINC000425397206 271161283 /nfs/dbraw/zinc/16/12/83/271161283.db2.gz QZBZBUNWESQZKU-HNNXBMFYSA-N 2 1 277.412 2.100 20 0 CEADMP CC(C)c1nnc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000426310005 271211373 /nfs/dbraw/zinc/21/13/73/271211373.db2.gz MBUAQCXHFNNRQO-CHWSQXEVSA-N 2 1 294.468 2.420 20 0 CEADMP COC1(C[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)CCC1 ZINC000429422055 271330731 /nfs/dbraw/zinc/33/07/31/271330731.db2.gz WSOOTQDIOQTVLB-CYBMUJFWSA-N 2 1 252.402 2.186 20 0 CEADMP C[N@@H+](CCCO[C@H]1CCCCO1)CCCn1ccnc1 ZINC000429668374 271339826 /nfs/dbraw/zinc/33/98/26/271339826.db2.gz QBLVXPYHJIGHBD-HNNXBMFYSA-N 2 1 281.400 2.138 20 0 CEADMP C[C@@H]1CCC[N@H+](CCC(=O)NCC2CCCCC2)[C@H]1C[NH3+] ZINC000430546815 271388598 /nfs/dbraw/zinc/38/85/98/271388598.db2.gz KFWHKWPFEMQZFU-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)[C@H]1C[NH3+] ZINC000430546815 271388601 /nfs/dbraw/zinc/38/86/01/271388601.db2.gz KFWHKWPFEMQZFU-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP COc1ccc(OCCC[NH2+][C@](C)(C[NH3+])C(C)C)cc1 ZINC000430560476 271390305 /nfs/dbraw/zinc/39/03/05/271390305.db2.gz WLSYDXIRROCEAL-MRXNPFEDSA-N 2 1 280.412 2.427 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430577355 271395343 /nfs/dbraw/zinc/39/53/43/271395343.db2.gz XREFKNAVVFWEAG-HNNXBMFYSA-N 2 1 260.385 2.106 20 0 CEADMP CCCC[C@H](COC)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432418576 271492587 /nfs/dbraw/zinc/49/25/87/271492587.db2.gz STQHSOHBCLNIDP-JKSUJKDBSA-N 2 1 286.460 2.282 20 0 CEADMP CCCC[C@H](COC)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432418576 271492591 /nfs/dbraw/zinc/49/25/91/271492591.db2.gz STQHSOHBCLNIDP-JKSUJKDBSA-N 2 1 286.460 2.282 20 0 CEADMP C[C@H](CCC(F)(F)F)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442867755 271838186 /nfs/dbraw/zinc/83/81/86/271838186.db2.gz MISJDEFMMZPIJW-GFCCVEGCSA-N 2 1 295.393 2.333 20 0 CEADMP C[C@@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000361350038 274225928 /nfs/dbraw/zinc/22/59/28/274225928.db2.gz BEGRWMVXLOKARU-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000361350038 274225929 /nfs/dbraw/zinc/22/59/29/274225929.db2.gz BEGRWMVXLOKARU-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000361350038 274225930 /nfs/dbraw/zinc/22/59/30/274225930.db2.gz BEGRWMVXLOKARU-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000361350038 274225931 /nfs/dbraw/zinc/22/59/31/274225931.db2.gz BEGRWMVXLOKARU-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000361350038 274225932 /nfs/dbraw/zinc/22/59/32/274225932.db2.gz BEGRWMVXLOKARU-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000414940828 274307914 /nfs/dbraw/zinc/30/79/14/274307914.db2.gz YBNKBBHQSVRBEP-UMVBOHGHSA-N 2 1 260.381 2.140 20 0 CEADMP CCN(C(=O)CC[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368453967 276060339 /nfs/dbraw/zinc/06/03/39/276060339.db2.gz NVWOCPMMKIMZDP-GDBMZVCRSA-N 2 1 289.423 2.019 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)C2CCCCC2)C1 ZINC000190639465 276073333 /nfs/dbraw/zinc/07/33/33/276073333.db2.gz XJLRKODHRABGJL-HOCLYGCPSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000190639465 276073336 /nfs/dbraw/zinc/07/33/36/276073336.db2.gz XJLRKODHRABGJL-HOCLYGCPSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC000190639465 276073338 /nfs/dbraw/zinc/07/33/38/276073338.db2.gz XJLRKODHRABGJL-HOCLYGCPSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)n1cc2c(n1)C[C@H]([NH2+]C1CC[NH+](C)CC1)CC2 ZINC000358284982 276084252 /nfs/dbraw/zinc/08/42/52/276084252.db2.gz IHBOLRMVVCSZTM-OAHLLOKOSA-N 2 1 276.428 2.005 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000335804984 276151558 /nfs/dbraw/zinc/15/15/58/276151558.db2.gz CWUISQUVGYUHTB-HUUCEWRRSA-N 2 1 284.469 2.115 20 0 CEADMP CC1(C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)CC[NH2+]CC1 ZINC000335568841 276168514 /nfs/dbraw/zinc/16/85/14/276168514.db2.gz MKGHRZUSGJVBRD-HUUCEWRRSA-N 2 1 259.397 2.111 20 0 CEADMP CCC1CCC([N@@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000414680428 276222150 /nfs/dbraw/zinc/22/21/50/276222150.db2.gz UCVQDBZKAMSJQK-HWOWSKLDSA-N 2 1 295.471 2.084 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2([C@H](C)CCO)CCC2)[C@@H](C)C1 ZINC000344307640 276228310 /nfs/dbraw/zinc/22/83/10/276228310.db2.gz XJUODAFEDWURLJ-XHSDSOJGSA-N 2 1 282.472 2.495 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCOCC2(CCC2)C1 ZINC000365188403 276324522 /nfs/dbraw/zinc/32/45/22/276324522.db2.gz CNAWPEFPRWWVJE-UHFFFAOYSA-N 2 1 254.418 2.221 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCOCC2(CCC2)C1 ZINC000365188403 276324524 /nfs/dbraw/zinc/32/45/24/276324524.db2.gz CNAWPEFPRWWVJE-UHFFFAOYSA-N 2 1 254.418 2.221 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000354160094 276331059 /nfs/dbraw/zinc/33/10/59/276331059.db2.gz FRYQBXIWRQJFCG-QLFBSQMISA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC000414743223 276399120 /nfs/dbraw/zinc/39/91/20/276399120.db2.gz OMANBLHTPSRAKI-FPCVCCKLSA-N 3 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC000414743223 276399122 /nfs/dbraw/zinc/39/91/22/276399122.db2.gz OMANBLHTPSRAKI-FPCVCCKLSA-N 3 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC000414743223 276399123 /nfs/dbraw/zinc/39/91/23/276399123.db2.gz OMANBLHTPSRAKI-FPCVCCKLSA-N 3 1 267.461 2.179 20 0 CEADMP CCN1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC000414743223 276399126 /nfs/dbraw/zinc/39/91/26/276399126.db2.gz OMANBLHTPSRAKI-FPCVCCKLSA-N 2 1 267.461 2.179 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC000414743223 276399129 /nfs/dbraw/zinc/39/91/29/276399129.db2.gz OMANBLHTPSRAKI-FPCVCCKLSA-N 2 1 267.461 2.179 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](C[C@H]3CCSC3)C2)CC1 ZINC000334952664 277034710 /nfs/dbraw/zinc/03/47/10/277034710.db2.gz FWCINGYVELVXBG-HIFRSBDPSA-N 2 1 268.470 2.403 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(CCOCC2)CC1 ZINC000334202180 277060080 /nfs/dbraw/zinc/06/00/80/277060080.db2.gz RVVIGTMCGOGWOH-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411926039 277061634 /nfs/dbraw/zinc/06/16/34/277061634.db2.gz OOUKYNHJXVNYOJ-IKGGRYGDSA-N 2 1 274.408 2.279 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411926039 277061635 /nfs/dbraw/zinc/06/16/35/277061635.db2.gz OOUKYNHJXVNYOJ-IKGGRYGDSA-N 2 1 274.408 2.279 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411926039 277061636 /nfs/dbraw/zinc/06/16/36/277061636.db2.gz OOUKYNHJXVNYOJ-IKGGRYGDSA-N 2 1 274.408 2.279 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccncc2)[C@H]2CCC[C@@H]21 ZINC000353419849 277171212 /nfs/dbraw/zinc/17/12/12/277171212.db2.gz CXBKTDDBXDPRFT-PMPSAXMXSA-N 2 1 259.397 2.087 20 0 CEADMP CC(C)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171304268 277382798 /nfs/dbraw/zinc/38/27/98/277382798.db2.gz VDQKEHHSAYZJEA-GASCZTMLSA-N 2 1 268.445 2.464 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H]1CCOC1(C)C)[NH+]1CCCC1 ZINC000328403732 277744493 /nfs/dbraw/zinc/74/44/93/277744493.db2.gz SKTMSIPSQFQKHI-ZIAGYGMSSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000165127166 278002005 /nfs/dbraw/zinc/00/20/05/278002005.db2.gz UYPBISAFCMXQJZ-XHSDSOJGSA-N 2 1 295.471 2.003 20 0 CEADMP CC/C=C/CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000375097167 278164575 /nfs/dbraw/zinc/16/45/75/278164575.db2.gz QBVBFGMQTZTJDQ-JFDDCEBESA-N 2 1 279.472 2.443 20 0 CEADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000181911315 278204593 /nfs/dbraw/zinc/20/45/93/278204593.db2.gz WKZBJYRDUGHWNO-LBPRGKRZSA-N 2 1 263.385 2.247 20 0 CEADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)[C@@H]1CCOC1 ZINC000157414144 278258910 /nfs/dbraw/zinc/25/89/10/278258910.db2.gz INTGIPQJOCAIAS-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)[C@@H]1CCOC1 ZINC000157414144 278258912 /nfs/dbraw/zinc/25/89/12/278258912.db2.gz INTGIPQJOCAIAS-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](Cn1cccn1)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000121988240 278300447 /nfs/dbraw/zinc/30/04/47/278300447.db2.gz MOTLYHCTQMILAQ-XHSDSOJGSA-N 2 1 278.444 2.229 20 0 CEADMP CCN(CC)C(=O)C1CC[NH+](CCC[NH+](CC)CC)CC1 ZINC000338235773 279094336 /nfs/dbraw/zinc/09/43/36/279094336.db2.gz LVSTYQRYFOLZJR-UHFFFAOYSA-N 2 1 297.487 2.299 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000355295030 279161180 /nfs/dbraw/zinc/16/11/80/279161180.db2.gz UMEJNDDNGZWIEH-TUVASFSCSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000414757489 279179508 /nfs/dbraw/zinc/17/95/08/279179508.db2.gz LFNBRSGSTYZWCR-ROUUACIJSA-N 2 1 290.451 2.429 20 0 CEADMP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000294698939 279685537 /nfs/dbraw/zinc/68/55/37/279685537.db2.gz ATANOCICHFUKOJ-HIFRSBDPSA-N 2 1 287.407 2.030 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C)cn1 ZINC000134284203 280016875 /nfs/dbraw/zinc/01/68/75/280016875.db2.gz KZVBHPHNSPXQOC-CYBMUJFWSA-N 2 1 258.369 2.321 20 0 CEADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268852264 280035854 /nfs/dbraw/zinc/03/58/54/280035854.db2.gz PYUVISSEPOBTJE-KSSFIOAISA-N 2 1 288.435 2.356 20 0 CEADMP C[C@]1(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)CC[NH2+]C1 ZINC000261894741 280154613 /nfs/dbraw/zinc/15/46/13/280154613.db2.gz UQWQDEFGRIOHDR-MCIONIFRSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000414702371 280174154 /nfs/dbraw/zinc/17/41/54/280174154.db2.gz BDJZKASGMYADJG-BBWFWOEESA-N 2 1 274.408 2.156 20 0 CEADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC000414702371 280174155 /nfs/dbraw/zinc/17/41/55/280174155.db2.gz BDJZKASGMYADJG-BBWFWOEESA-N 2 1 274.408 2.156 20 0 CEADMP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+]1CCCCC1 ZINC000354888580 280174485 /nfs/dbraw/zinc/17/44/85/280174485.db2.gz RSPPNVXCOYQGNF-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000223092054 280212261 /nfs/dbraw/zinc/21/22/61/280212261.db2.gz JVNQUKGSECCJOZ-BYNSBNAKSA-N 2 1 255.450 2.035 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000223092054 280212265 /nfs/dbraw/zinc/21/22/65/280212265.db2.gz JVNQUKGSECCJOZ-BYNSBNAKSA-N 2 1 255.450 2.035 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000223092054 280212267 /nfs/dbraw/zinc/21/22/67/280212267.db2.gz JVNQUKGSECCJOZ-BYNSBNAKSA-N 2 1 255.450 2.035 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000246820119 280311229 /nfs/dbraw/zinc/31/12/29/280311229.db2.gz BCVOAAICPJFHDA-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000246820119 280311230 /nfs/dbraw/zinc/31/12/30/280311230.db2.gz BCVOAAICPJFHDA-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000246820119 280311231 /nfs/dbraw/zinc/31/12/31/280311231.db2.gz BCVOAAICPJFHDA-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CCC(CC)(C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C(=O)OC ZINC000248375736 280344960 /nfs/dbraw/zinc/34/49/60/280344960.db2.gz XURIVUZNCBJMEV-HZSPNIEDSA-N 2 1 284.444 2.284 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1F ZINC000258918145 280527856 /nfs/dbraw/zinc/52/78/56/280527856.db2.gz IQSMGAXGBUEFCM-CHWSQXEVSA-N 2 1 252.333 2.194 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422876396 280945725 /nfs/dbraw/zinc/94/57/25/280945725.db2.gz FNVQJRMKCDEXTB-BKYIEACKSA-N 3 1 281.488 2.460 20 0 CEADMP COc1cccc(OCCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422926343 280968468 /nfs/dbraw/zinc/96/84/68/280968468.db2.gz WMSVWGRSANLBMU-XJKSGUPXSA-N 2 1 278.396 2.194 20 0 CEADMP CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423054439 281013076 /nfs/dbraw/zinc/01/30/76/281013076.db2.gz UKJKIVFOGKJPJW-YJNKXOJESA-N 2 1 254.418 2.310 20 0 CEADMP C[C@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)[N@H+]1CCCC[C@H]1C ZINC000423329629 281023086 /nfs/dbraw/zinc/02/30/86/281023086.db2.gz MYRNPVCYGBKJBY-RBSFLKMASA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423383432 281027693 /nfs/dbraw/zinc/02/76/93/281027693.db2.gz FBWPXFOLXSQSMY-NILFDRSVSA-N 2 1 282.815 2.367 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423383433 281027739 /nfs/dbraw/zinc/02/77/39/281027739.db2.gz FBWPXFOLXSQSMY-TUKIKUTGSA-N 2 1 282.815 2.367 20 0 CEADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423447627 281045753 /nfs/dbraw/zinc/04/57/53/281045753.db2.gz ZUDZJQJETUZVAL-CLWVCHIJSA-N 2 1 272.392 2.225 20 0 CEADMP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423478104 281053215 /nfs/dbraw/zinc/05/32/15/281053215.db2.gz MRHQRXJRGDIBIR-ZYHUDNBSSA-N 2 1 258.312 2.045 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(Cl)c1 ZINC000423511900 281057003 /nfs/dbraw/zinc/05/70/03/281057003.db2.gz KLQISCIUXCZMPH-RISCZKNCSA-N 2 1 268.788 2.369 20 0 CEADMP COCC1CCC([NH2+][C@@H](C[NH3+])C2CCCC2)CC1 ZINC000423517473 281061289 /nfs/dbraw/zinc/06/12/89/281061289.db2.gz YWWFASRBRBPOPM-ZALBZXLWSA-N 2 1 254.418 2.299 20 0 CEADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c1C ZINC000423529227 281062958 /nfs/dbraw/zinc/06/29/58/281062958.db2.gz XKKHJICUTMJIRT-CABCVRRESA-N 2 1 262.397 2.333 20 0 CEADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424277757 281143176 /nfs/dbraw/zinc/14/31/76/281143176.db2.gz CHZHSQSHETUAER-KMFMINBZSA-N 2 1 291.414 2.037 20 0 CEADMP COC(=O)CC1CC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000424327692 281149914 /nfs/dbraw/zinc/14/99/14/281149914.db2.gz ZHFUHXJEDNYAJO-PCKAHOCUSA-N 2 1 294.439 2.182 20 0 CEADMP COC(=O)CC1CC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000424327692 281149916 /nfs/dbraw/zinc/14/99/16/281149916.db2.gz ZHFUHXJEDNYAJO-PCKAHOCUSA-N 2 1 294.439 2.182 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)o1 ZINC000424379754 281154246 /nfs/dbraw/zinc/15/42/46/281154246.db2.gz OZCKURCINOFYIS-LBPRGKRZSA-N 2 1 292.379 2.030 20 0 CEADMP CC[C@@]1(CO)CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000426454723 281194247 /nfs/dbraw/zinc/19/42/47/281194247.db2.gz AQKIRHZBCBCODI-OAHLLOKOSA-N 2 1 265.401 2.066 20 0 CEADMP CC[C@@]1(CO)CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000426454723 281194249 /nfs/dbraw/zinc/19/42/49/281194249.db2.gz AQKIRHZBCBCODI-OAHLLOKOSA-N 2 1 265.401 2.066 20 0 CEADMP COc1ccccc1OCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429002402 281214607 /nfs/dbraw/zinc/21/46/07/281214607.db2.gz JTTPMMVZVIIKFL-KRWDZBQOSA-N 2 1 290.407 2.102 20 0 CEADMP COc1ccccc1OCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429002402 281214610 /nfs/dbraw/zinc/21/46/10/281214610.db2.gz JTTPMMVZVIIKFL-KRWDZBQOSA-N 2 1 290.407 2.102 20 0 CEADMP COc1ccccc1OCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429002402 281214613 /nfs/dbraw/zinc/21/46/13/281214613.db2.gz JTTPMMVZVIIKFL-KRWDZBQOSA-N 2 1 290.407 2.102 20 0 CEADMP COc1ccccc1OCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429002402 281214614 /nfs/dbraw/zinc/21/46/14/281214614.db2.gz JTTPMMVZVIIKFL-KRWDZBQOSA-N 2 1 290.407 2.102 20 0 CEADMP CC[C@H]1C[C@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000347061140 281237793 /nfs/dbraw/zinc/23/77/93/281237793.db2.gz YMRKYAIUTDJDEQ-KBXIAJHMSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H]1C[C@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000347061140 281237798 /nfs/dbraw/zinc/23/77/98/281237798.db2.gz YMRKYAIUTDJDEQ-KBXIAJHMSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)c1noc([C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000430940672 281283822 /nfs/dbraw/zinc/28/38/22/281283822.db2.gz QHYBCLWMWJOSGZ-MNOVXSKESA-N 2 1 266.389 2.313 20 0 CEADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000364044041 281308414 /nfs/dbraw/zinc/30/84/14/281308414.db2.gz IKQXWGDFBFSJCX-HNNXBMFYSA-N 2 1 297.402 2.372 20 0 CEADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000364044041 281308416 /nfs/dbraw/zinc/30/84/16/281308416.db2.gz IKQXWGDFBFSJCX-HNNXBMFYSA-N 2 1 297.402 2.372 20 0 CEADMP Cc1ccccc1[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000289695713 281366922 /nfs/dbraw/zinc/36/69/22/281366922.db2.gz FERVDWFUUFPGJH-NVXWUHKLSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccccc1[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000289695713 281366923 /nfs/dbraw/zinc/36/69/23/281366923.db2.gz FERVDWFUUFPGJH-NVXWUHKLSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccccc1[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000289695713 281366925 /nfs/dbraw/zinc/36/69/25/281366925.db2.gz FERVDWFUUFPGJH-NVXWUHKLSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccccc1[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000289695713 281366926 /nfs/dbraw/zinc/36/69/26/281366926.db2.gz FERVDWFUUFPGJH-NVXWUHKLSA-N 2 1 288.435 2.239 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+]C2CC(C)(C)C2)CC1 ZINC000433170215 281371804 /nfs/dbraw/zinc/37/18/04/281371804.db2.gz VCUULTZEVRCQHI-UHFFFAOYSA-N 2 1 267.461 2.038 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C[NH3+])C2)o1 ZINC000435385019 281387140 /nfs/dbraw/zinc/38/71/40/281387140.db2.gz PLOLIYSRXWFTJT-LBPRGKRZSA-N 2 1 274.368 2.149 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C[NH3+])C2)o1 ZINC000435385019 281387142 /nfs/dbraw/zinc/38/71/42/281387142.db2.gz PLOLIYSRXWFTJT-LBPRGKRZSA-N 2 1 274.368 2.149 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1F ZINC000435391000 281387699 /nfs/dbraw/zinc/38/76/99/281387699.db2.gz RDNXPMWTKIKGAM-OCCSQVGLSA-N 2 1 280.387 2.294 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)o1 ZINC000435392649 281387856 /nfs/dbraw/zinc/38/78/56/281387856.db2.gz HBIWISXDFUXBPU-CYBMUJFWSA-N 2 1 294.395 2.420 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)o1 ZINC000435392649 281387860 /nfs/dbraw/zinc/38/78/60/281387860.db2.gz HBIWISXDFUXBPU-CYBMUJFWSA-N 2 1 294.395 2.420 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000435430605 281389588 /nfs/dbraw/zinc/38/95/88/281389588.db2.gz CZCPRRQEXDNZHO-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc([S@@](C)=O)cc1 ZINC000158202134 289229484 /nfs/dbraw/zinc/22/94/84/289229484.db2.gz IYOSRINRAYAYQK-YRVVQQKDSA-N 2 1 294.464 2.416 20 0 CEADMP C[C@H](C(=O)N(C)C[C@@H]1CCC[NH+](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000360413079 289251649 /nfs/dbraw/zinc/25/16/49/289251649.db2.gz WPCRSYDBYDTXDQ-QKPAOTATSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000360413079 289251650 /nfs/dbraw/zinc/25/16/50/289251650.db2.gz WPCRSYDBYDTXDQ-QKPAOTATSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000360413079 289251654 /nfs/dbraw/zinc/25/16/54/289251654.db2.gz WPCRSYDBYDTXDQ-QKPAOTATSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000414870816 289538483 /nfs/dbraw/zinc/53/84/83/289538483.db2.gz COONNVYPWMUSTM-IIAWOOMASA-N 3 1 267.461 2.214 20 0 CEADMP OC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000459471870 290158122 /nfs/dbraw/zinc/15/81/22/290158122.db2.gz NTKWZHUBNSTGES-MRXNPFEDSA-N 2 1 288.435 2.054 20 0 CEADMP CC(C)c1nnc(CC[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000459555793 290177865 /nfs/dbraw/zinc/17/78/65/290177865.db2.gz IVDDCMRCYAWRGW-UHFFFAOYSA-N 2 1 294.468 2.420 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cnc(C2CC2)nc1)C1CC1 ZINC000459585239 290186204 /nfs/dbraw/zinc/18/62/04/290186204.db2.gz JMFMUXNKSFFQDW-UHFFFAOYSA-N 2 1 274.412 2.318 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459664998 290206436 /nfs/dbraw/zinc/20/64/36/290206436.db2.gz BLGGSPZHOQFTPS-PMPSAXMXSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459664998 290206438 /nfs/dbraw/zinc/20/64/38/290206438.db2.gz BLGGSPZHOQFTPS-PMPSAXMXSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459664998 290206439 /nfs/dbraw/zinc/20/64/39/290206439.db2.gz BLGGSPZHOQFTPS-PMPSAXMXSA-N 2 1 278.440 2.362 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000459741866 290223929 /nfs/dbraw/zinc/22/39/29/290223929.db2.gz VLDOLFSTFPVYHE-AWEZNQCLSA-N 2 1 290.407 2.279 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000459744807 290224417 /nfs/dbraw/zinc/22/44/17/290224417.db2.gz XWXVJOYOOFQPSW-TUVASFSCSA-N 2 1 266.429 2.121 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3c2OCO3)C1 ZINC000459744081 290224706 /nfs/dbraw/zinc/22/47/06/290224706.db2.gz XRLAVHPUNKLZFI-ZDUSSCGKSA-N 2 1 276.380 2.237 20 0 CEADMP COCC[N@H+]1CC[C@H](Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000459744811 290224715 /nfs/dbraw/zinc/22/47/15/290224715.db2.gz DTIMMBWIUHDNPR-KRWDZBQOSA-N 2 1 291.439 2.189 20 0 CEADMP CCOC(=O)c1coc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459794904 290243139 /nfs/dbraw/zinc/24/31/39/290243139.db2.gz UXCVDZDHIWJJAU-ZDUSSCGKSA-N 2 1 294.395 2.278 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000461615835 290257143 /nfs/dbraw/zinc/25/71/43/290257143.db2.gz GCWHQXZEFFKXOE-WCVJEAGWSA-N 2 1 297.487 2.484 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000461615835 290257147 /nfs/dbraw/zinc/25/71/47/290257147.db2.gz GCWHQXZEFFKXOE-WCVJEAGWSA-N 2 1 297.487 2.484 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000461615835 290257150 /nfs/dbraw/zinc/25/71/50/290257150.db2.gz GCWHQXZEFFKXOE-WCVJEAGWSA-N 2 1 297.487 2.484 20 0 CEADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000471788386 290283576 /nfs/dbraw/zinc/28/35/76/290283576.db2.gz PYRIPZGGQDTOCL-KGLIPLIRSA-N 2 1 254.418 2.144 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CC(C)(C)c3ccccc3)C[C@@H]2C1 ZINC000194536118 290288311 /nfs/dbraw/zinc/28/83/11/290288311.db2.gz KOUFUUFPFDNIIN-GASCZTMLSA-N 2 1 258.409 2.458 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CC(C)(C)c3ccccc3)C[C@@H]2C1 ZINC000194536118 290288312 /nfs/dbraw/zinc/28/83/12/290288312.db2.gz KOUFUUFPFDNIIN-GASCZTMLSA-N 2 1 258.409 2.458 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CC(C)(C)c3ccccc3)C[C@@H]2C1 ZINC000194536118 290288313 /nfs/dbraw/zinc/28/83/13/290288313.db2.gz KOUFUUFPFDNIIN-GASCZTMLSA-N 2 1 258.409 2.458 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+]C[C@@H]2CCSC2)C[C@H](C)O1 ZINC000486936977 290321975 /nfs/dbraw/zinc/32/19/75/290321975.db2.gz KNHOYOKCKPCINB-ZNMIVQPWSA-N 2 1 286.485 2.219 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000488421631 290397706 /nfs/dbraw/zinc/39/77/06/290397706.db2.gz SXEPFLZXINXQPT-UONOGXRCSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1cc(N2CCC([NH2+]C[C@@H]3C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000488558690 290409537 /nfs/dbraw/zinc/40/95/37/290409537.db2.gz NDGQJYOLQLVGMP-FZMZJTMJSA-N 2 1 274.412 2.308 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000347134833 295251474 /nfs/dbraw/zinc/25/14/74/295251474.db2.gz SLHAFYXWMYMJEJ-ZDUSSCGKSA-N 2 1 276.380 2.019 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000347134833 295251475 /nfs/dbraw/zinc/25/14/75/295251475.db2.gz SLHAFYXWMYMJEJ-ZDUSSCGKSA-N 2 1 276.380 2.019 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000527926338 297763226 /nfs/dbraw/zinc/76/32/26/297763226.db2.gz MFGVYGZJVHCVEI-QLFBSQMISA-N 2 1 266.429 2.123 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000530177526 298045620 /nfs/dbraw/zinc/04/56/20/298045620.db2.gz JSXLCJUTCVSCAV-DOTOQJQBSA-N 2 1 286.419 2.427 20 0 CEADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530177188 298045638 /nfs/dbraw/zinc/04/56/38/298045638.db2.gz IXTLVWFLTBMCFL-DZGCQCFKSA-N 2 1 287.407 2.278 20 0 CEADMP CC[C@@H]([NH2+]C[C@]1(C)COc2ccccc2O1)[C@@H]1CCC[NH2+]1 ZINC000530214302 298052063 /nfs/dbraw/zinc/05/20/63/298052063.db2.gz XGWYMYPJBNPDNF-JKIFEVAISA-N 2 1 290.407 2.337 20 0 CEADMP CCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccnc1 ZINC000530513219 298075801 /nfs/dbraw/zinc/07/58/01/298075801.db2.gz UCPQBRKHRFDORV-OAHLLOKOSA-N 2 1 258.369 2.489 20 0 CEADMP CC(C)C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000534316250 298173303 /nfs/dbraw/zinc/17/33/03/298173303.db2.gz ZOMKNDGHMSNWGQ-AWEZNQCLSA-N 2 1 281.469 2.282 20 0 CEADMP C[C@H](C1CC1)[N@@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000357023751 298259075 /nfs/dbraw/zinc/25/90/75/298259075.db2.gz DMKPUUJZEVTWDL-CQSZACIVSA-N 2 1 262.397 2.262 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000541056054 298275067 /nfs/dbraw/zinc/27/50/67/298275067.db2.gz WZFGKQRXUCGWGL-ZBFHGGJFSA-N 2 1 262.397 2.102 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000541056054 298275070 /nfs/dbraw/zinc/27/50/70/298275070.db2.gz WZFGKQRXUCGWGL-ZBFHGGJFSA-N 2 1 262.397 2.102 20 0 CEADMP C[N@@H+](CCC(=O)NCC[NH+]1CCCCC1)C1CCCCC1 ZINC000546016145 298345465 /nfs/dbraw/zinc/34/54/65/298345465.db2.gz CJIRLTBFPAKBRS-UHFFFAOYSA-N 2 1 295.471 2.243 20 0 CEADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCC(O)CC1 ZINC000353497893 298661857 /nfs/dbraw/zinc/66/18/57/298661857.db2.gz POSMSXDWGUHEEY-AUVVZJRPSA-N 2 1 268.445 2.246 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2ccccc2)C1 ZINC000566687557 299015943 /nfs/dbraw/zinc/01/59/43/299015943.db2.gz NOXSNOJHGXVCBC-DLBZAZTESA-N 2 1 276.424 2.179 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000566687557 299015947 /nfs/dbraw/zinc/01/59/47/299015947.db2.gz NOXSNOJHGXVCBC-DLBZAZTESA-N 2 1 276.424 2.179 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000566687557 299015951 /nfs/dbraw/zinc/01/59/51/299015951.db2.gz NOXSNOJHGXVCBC-DLBZAZTESA-N 2 1 276.424 2.179 20 0 CEADMP C[C@H]1C[N@H+](C)C[C@H]1NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000343693741 300225921 /nfs/dbraw/zinc/22/59/21/300225921.db2.gz NEMKNFACPPJGAG-XUWVNRHRSA-N 2 1 281.488 2.283 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@H]1NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000343693741 300225923 /nfs/dbraw/zinc/22/59/23/300225923.db2.gz NEMKNFACPPJGAG-XUWVNRHRSA-N 2 1 281.488 2.283 20 0 CEADMP C[C@H]1C[NH+](C)C[C@H]1NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343693741 300225925 /nfs/dbraw/zinc/22/59/25/300225925.db2.gz NEMKNFACPPJGAG-XUWVNRHRSA-N 2 1 281.488 2.283 20 0 CEADMP C[C@H]1C[NH+](C)C[C@H]1NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343693741 300225927 /nfs/dbraw/zinc/22/59/27/300225927.db2.gz NEMKNFACPPJGAG-XUWVNRHRSA-N 2 1 281.488 2.283 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)CCCO1 ZINC000515139457 313066087 /nfs/dbraw/zinc/06/60/87/313066087.db2.gz IKXVNQCCKZMZBY-GOSISDBHSA-N 2 1 297.402 2.298 20 0 CEADMP CCO[C@H]1C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000515725849 313075874 /nfs/dbraw/zinc/07/58/74/313075874.db2.gz XXEVBBBDXYWUOJ-MSOLQXFVSA-N 2 1 288.435 2.461 20 0 CEADMP CCO[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000515725852 313075997 /nfs/dbraw/zinc/07/59/97/313075997.db2.gz XXEVBBBDXYWUOJ-ZWKOTPCHSA-N 2 1 288.435 2.461 20 0 CEADMP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000521792704 313133409 /nfs/dbraw/zinc/13/34/09/313133409.db2.gz YAGCINMGNAKKMM-ZNMIVQPWSA-N 2 1 282.428 2.182 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000521949517 313136485 /nfs/dbraw/zinc/13/64/85/313136485.db2.gz BTGCYTVYUKZYOT-GOEBONIOSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@@H]([NH2+]CC2CC[NH+](CC)CC2)[C@@H](C)C1 ZINC000521949517 313136488 /nfs/dbraw/zinc/13/64/88/313136488.db2.gz BTGCYTVYUKZYOT-GOEBONIOSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccnc(C)c2)C1 ZINC000527535723 313181649 /nfs/dbraw/zinc/18/16/49/313181649.db2.gz SKFIRNORUQANLV-QGZVFWFLSA-N 2 1 291.439 2.323 20 0 CEADMP C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528010829 313225783 /nfs/dbraw/zinc/22/57/83/313225783.db2.gz KBCGVVRQVRYZIH-SFHVURJKSA-N 2 1 291.483 2.467 20 0 CEADMP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CCOCC[NH3+] ZINC000530230896 313286563 /nfs/dbraw/zinc/28/65/63/313286563.db2.gz DGWJZDOVQHKMMV-HNNXBMFYSA-N 2 1 280.387 2.369 20 0 CEADMP CCC[C@]1(C)CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000570737679 314055234 /nfs/dbraw/zinc/05/52/34/314055234.db2.gz XCMMSKQKLFWRFJ-LSDHHAIUSA-N 2 1 256.434 2.201 20 0 CEADMP CCC[C@]1(C)CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000570737679 314055235 /nfs/dbraw/zinc/05/52/35/314055235.db2.gz XCMMSKQKLFWRFJ-LSDHHAIUSA-N 2 1 256.434 2.201 20 0 CEADMP CCC[C@]1(C)CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000570737679 314055236 /nfs/dbraw/zinc/05/52/36/314055236.db2.gz XCMMSKQKLFWRFJ-LSDHHAIUSA-N 2 1 256.434 2.201 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2cncn2C)[C@@H](C)C1 ZINC000573574091 314169893 /nfs/dbraw/zinc/16/98/93/314169893.db2.gz JRPATJQGLJNHTE-GOEBONIOSA-N 2 1 278.444 2.015 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2cncn2C)[C@@H](C)C1 ZINC000573574091 314169895 /nfs/dbraw/zinc/16/98/95/314169895.db2.gz JRPATJQGLJNHTE-GOEBONIOSA-N 2 1 278.444 2.015 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2cncn2C)[C@@H](C)C1 ZINC000573574091 314169897 /nfs/dbraw/zinc/16/98/97/314169897.db2.gz JRPATJQGLJNHTE-GOEBONIOSA-N 2 1 278.444 2.015 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1C ZINC000575135064 314209282 /nfs/dbraw/zinc/20/92/82/314209282.db2.gz QYAPKUHTAGSMEG-MSOLQXFVSA-N 2 1 290.451 2.315 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000575135064 314209284 /nfs/dbraw/zinc/20/92/84/314209284.db2.gz QYAPKUHTAGSMEG-MSOLQXFVSA-N 2 1 290.451 2.315 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000575135064 314209288 /nfs/dbraw/zinc/20/92/88/314209288.db2.gz QYAPKUHTAGSMEG-MSOLQXFVSA-N 2 1 290.451 2.315 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000575746492 314219090 /nfs/dbraw/zinc/21/90/90/314219090.db2.gz ZURUKFQMJVVBDZ-KBPBESRZSA-N 2 1 298.475 2.066 20 0 CEADMP CCC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000576588852 314291057 /nfs/dbraw/zinc/29/10/57/314291057.db2.gz SRQTZAXHJQPGTQ-CQSZACIVSA-N 2 1 297.487 2.343 20 0 CEADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000576685087 314300622 /nfs/dbraw/zinc/30/06/22/314300622.db2.gz UXNOYDQCLUEKKS-XBVQOTNRSA-N 3 1 273.424 2.197 20 0 CEADMP CC(C)[NH2+]CCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000577363063 314368173 /nfs/dbraw/zinc/36/81/73/314368173.db2.gz KYYUZGWNDQCHHZ-HUUCEWRRSA-N 3 1 255.450 2.275 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000577518260 314386603 /nfs/dbraw/zinc/38/66/03/314386603.db2.gz SLSXWVWMZQNRPC-MJVIPROJSA-N 2 1 297.830 2.185 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)C12CCOCC2 ZINC000579461988 314588283 /nfs/dbraw/zinc/58/82/83/314588283.db2.gz SYOUPNLJGGMFOM-OWCLPIDISA-N 2 1 296.455 2.068 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000580506696 322321411 /nfs/dbraw/zinc/32/14/11/322321411.db2.gz VBKPKUXNTNZBEI-DOMZBBRYSA-N 2 1 272.396 2.003 20 0 CEADMP Cc1[nH+]ccn1CCCOc1ccc2c(c1)OCC[NH2+]C2 ZINC000581245673 322380295 /nfs/dbraw/zinc/38/02/95/322380295.db2.gz JKVABGBGHYBQFU-UHFFFAOYSA-N 2 1 287.363 2.143 20 0 CEADMP C[C@H](O)C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000581300960 322384702 /nfs/dbraw/zinc/38/47/02/322384702.db2.gz NKYHQWLBLUVGIP-JKSUJKDBSA-N 2 1 276.424 2.259 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cnn(C)c1 ZINC000581801625 322424059 /nfs/dbraw/zinc/42/40/59/322424059.db2.gz WIRIOGHGKJYCPC-WQPVAANYSA-N 2 1 288.439 2.224 20 0 CEADMP C[C@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422712505 500927041 /nfs/dbraw/zinc/92/70/41/500927041.db2.gz OLBMKTPUYOWRKC-CBBWQLFWSA-N 2 1 254.418 2.312 20 0 CEADMP CC(C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000052382316 519727367 /nfs/dbraw/zinc/72/73/67/519727367.db2.gz OBBCTGOQYITLIM-CQSZACIVSA-N 2 1 262.397 2.405 20 0 CEADMP CC(C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000052382316 519727370 /nfs/dbraw/zinc/72/73/70/519727370.db2.gz OBBCTGOQYITLIM-CQSZACIVSA-N 2 1 262.397 2.405 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156417105 520408065 /nfs/dbraw/zinc/40/80/65/520408065.db2.gz AYEWGJHJWAEYOB-UHFFFAOYSA-N 2 1 291.439 2.210 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000365193343 520608742 /nfs/dbraw/zinc/60/87/42/520608742.db2.gz VKSWOPFWAYRZCH-OAHLLOKOSA-N 2 1 264.417 2.252 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000365193343 520608745 /nfs/dbraw/zinc/60/87/45/520608745.db2.gz VKSWOPFWAYRZCH-OAHLLOKOSA-N 2 1 264.417 2.252 20 0 CEADMP Cc1occc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000414392693 534572182 /nfs/dbraw/zinc/57/21/82/534572182.db2.gz CHOCWLKUCLTCKG-ARFHVFGLSA-N 2 1 278.396 2.272 20 0 CEADMP Cc1occc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000414392693 534572187 /nfs/dbraw/zinc/57/21/87/534572187.db2.gz CHOCWLKUCLTCKG-ARFHVFGLSA-N 2 1 278.396 2.272 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccccc1 ZINC000183301466 522311877 /nfs/dbraw/zinc/31/18/77/522311877.db2.gz ORCBULGJAOROEI-UHFFFAOYSA-N 2 1 255.365 2.480 20 0 CEADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1nccn1C ZINC000182826091 522625417 /nfs/dbraw/zinc/62/54/17/522625417.db2.gz WQWSMMSUFSRUEW-JSGCOSHPSA-N 2 1 275.400 2.302 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000049553188 524167584 /nfs/dbraw/zinc/16/75/84/524167584.db2.gz LPSKIXBBDJOKLI-NEPJUHHUSA-N 2 1 264.369 2.406 20 0 CEADMP C[C@@H]1CC[N@H+](CCOc2ccccc2F)C[C@@H]1C[NH3+] ZINC000163824125 524507030 /nfs/dbraw/zinc/50/70/30/524507030.db2.gz GAMYYYQQRRXIKM-OLZOCXBDSA-N 2 1 266.360 2.121 20 0 CEADMP C[C@@H]1CC[N@@H+](CCOc2ccccc2F)C[C@@H]1C[NH3+] ZINC000163824125 524507036 /nfs/dbraw/zinc/50/70/36/524507036.db2.gz GAMYYYQQRRXIKM-OLZOCXBDSA-N 2 1 266.360 2.121 20 0 CEADMP c1cc2c(nc[nH+]c2NC2CC([NH+]3CCCCC3)C2)[nH]1 ZINC000366531112 526443702 /nfs/dbraw/zinc/44/37/02/526443702.db2.gz IGXATRUGVSEPAP-UHFFFAOYSA-N 2 1 271.368 2.387 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NC2CCCC2)[C@H](C)C1 ZINC000175719095 527831108 /nfs/dbraw/zinc/83/11/08/527831108.db2.gz CVZLVGZJFURRCJ-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NC2CCCC2)[C@H](C)C1 ZINC000175719095 527831114 /nfs/dbraw/zinc/83/11/14/527831114.db2.gz CVZLVGZJFURRCJ-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)NC2CCCC2)[C@H](C)C1 ZINC000175719095 527831122 /nfs/dbraw/zinc/83/11/22/527831122.db2.gz CVZLVGZJFURRCJ-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCOCC[NH3+])C12CCCCC2 ZINC000357065965 527901761 /nfs/dbraw/zinc/90/17/61/527901761.db2.gz AWFSNRWUMGGVEO-LSDHHAIUSA-N 2 1 284.444 2.021 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000359974878 527978457 /nfs/dbraw/zinc/97/84/57/527978457.db2.gz PTIDFVUFFGNCHR-RRFJBIMHSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000359974878 527978463 /nfs/dbraw/zinc/97/84/63/527978463.db2.gz PTIDFVUFFGNCHR-RRFJBIMHSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357419369 528054914 /nfs/dbraw/zinc/05/49/14/528054914.db2.gz RBUOGQAMOFAVNY-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+]1CCC(NCC[N@@H+](C)[C@H](C)CC)CC1 ZINC000160058396 528202246 /nfs/dbraw/zinc/20/22/46/528202246.db2.gz NQBFZOMFPVFMCK-CQSZACIVSA-N 2 1 255.450 2.181 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000414123963 528236795 /nfs/dbraw/zinc/23/67/95/528236795.db2.gz CIKHJSZKAXOPKI-HOCLYGCPSA-N 2 1 291.439 2.485 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000414123963 528236799 /nfs/dbraw/zinc/23/67/99/528236799.db2.gz CIKHJSZKAXOPKI-HOCLYGCPSA-N 2 1 291.439 2.485 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000356596860 528352471 /nfs/dbraw/zinc/35/24/71/528352471.db2.gz MGRNJRAANSXTSO-ZIAGYGMSSA-N 2 1 285.476 2.390 20 0 CEADMP CCCn1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000355043267 528841108 /nfs/dbraw/zinc/84/11/08/528841108.db2.gz UMWXIGDHUFAJLA-UHFFFAOYSA-N 2 1 276.428 2.353 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000357058931 529003755 /nfs/dbraw/zinc/00/37/55/529003755.db2.gz MCNCKEKIAIHACM-INIZCTEOSA-N 2 1 297.487 2.438 20 0 CEADMP c1cc(N2CCCC2)nc(NCCC[NH+]2CCCCC2)[nH+]1 ZINC000733183831 574654380 /nfs/dbraw/zinc/65/43/80/574654380.db2.gz FKFQRWUIIZCWFS-UHFFFAOYSA-N 2 1 289.427 2.365 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000733614233 574683169 /nfs/dbraw/zinc/68/31/69/574683169.db2.gz GKSCCDPYUKYWAU-ZJUUUORDSA-N 2 1 251.201 2.064 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000733614233 574683172 /nfs/dbraw/zinc/68/31/72/574683172.db2.gz GKSCCDPYUKYWAU-ZJUUUORDSA-N 2 1 251.201 2.064 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000735647210 574763578 /nfs/dbraw/zinc/76/35/78/574763578.db2.gz VDGUOKNWQJFXEO-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCCCCCCO)CC[N@@H+]1C ZINC000744405006 575120679 /nfs/dbraw/zinc/12/06/79/575120679.db2.gz IPGHNKIATSZDRQ-LSDHHAIUSA-N 2 1 256.434 2.344 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCCCCCCO)CC[N@H+]1C ZINC000744405006 575120680 /nfs/dbraw/zinc/12/06/80/575120680.db2.gz IPGHNKIATSZDRQ-LSDHHAIUSA-N 2 1 256.434 2.344 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CCCCCCCO)CC[NH+]1C ZINC000744405006 575120681 /nfs/dbraw/zinc/12/06/81/575120681.db2.gz IPGHNKIATSZDRQ-LSDHHAIUSA-N 2 1 256.434 2.344 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCCCCCCO)CC[NH+]1C ZINC000744405006 575120682 /nfs/dbraw/zinc/12/06/82/575120682.db2.gz IPGHNKIATSZDRQ-LSDHHAIUSA-N 2 1 256.434 2.344 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000746674915 575162596 /nfs/dbraw/zinc/16/25/96/575162596.db2.gz YNHDQUBOFKPHCL-XJKSGUPXSA-N 2 1 280.387 2.051 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000746674915 575162597 /nfs/dbraw/zinc/16/25/97/575162597.db2.gz YNHDQUBOFKPHCL-XJKSGUPXSA-N 2 1 280.387 2.051 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(CN2CC3(CCCC3)CC2=O)C1 ZINC000747459867 575170658 /nfs/dbraw/zinc/17/06/58/575170658.db2.gz SOOKOGLBWZLXCT-OAHLLOKOSA-N 2 1 293.455 2.010 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948767496 614335812 /nfs/dbraw/zinc/33/58/12/614335812.db2.gz XSTFEQDJKJLBIC-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000948767496 614335815 /nfs/dbraw/zinc/33/58/15/614335815.db2.gz XSTFEQDJKJLBIC-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000948767496 614335817 /nfs/dbraw/zinc/33/58/17/614335817.db2.gz XSTFEQDJKJLBIC-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775842 614347413 /nfs/dbraw/zinc/34/74/13/614347413.db2.gz SOLBMCQBSORUBM-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000948775842 614347415 /nfs/dbraw/zinc/34/74/15/614347415.db2.gz SOLBMCQBSORUBM-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000948775842 614347418 /nfs/dbraw/zinc/34/74/18/614347418.db2.gz SOLBMCQBSORUBM-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC000971842987 614546610 /nfs/dbraw/zinc/54/66/10/614546610.db2.gz FFDSOMUVVHBKLB-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000971842987 614546614 /nfs/dbraw/zinc/54/66/14/614546614.db2.gz FFDSOMUVVHBKLB-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971842987 614546618 /nfs/dbraw/zinc/54/66/18/614546618.db2.gz FFDSOMUVVHBKLB-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948766755 614655409 /nfs/dbraw/zinc/65/54/09/614655409.db2.gz NLQBHEHMLIPUTM-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000948766755 614655412 /nfs/dbraw/zinc/65/54/12/614655412.db2.gz NLQBHEHMLIPUTM-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000948766755 614655414 /nfs/dbraw/zinc/65/54/14/614655414.db2.gz NLQBHEHMLIPUTM-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH+](C(C)C)CC1(C)C ZINC000974653146 614664781 /nfs/dbraw/zinc/66/47/81/614664781.db2.gz GKWKRTDXMWYJOF-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[N@@H+](C(C)C)CC1(C)C ZINC000974653146 614664785 /nfs/dbraw/zinc/66/47/85/614664785.db2.gz GKWKRTDXMWYJOF-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[N@H+](C(C)C)CC1(C)C ZINC000974653146 614664788 /nfs/dbraw/zinc/66/47/88/614664788.db2.gz GKWKRTDXMWYJOF-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948741830 614673386 /nfs/dbraw/zinc/67/33/86/614673386.db2.gz FOXMGMYQGQKQRT-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707560 614701971 /nfs/dbraw/zinc/70/19/71/614701971.db2.gz JJQBNFBQFFXPPF-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000974903923 614806894 /nfs/dbraw/zinc/80/68/94/614806894.db2.gz ZHPLETKGAOZGGI-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC000961030784 614856193 /nfs/dbraw/zinc/85/61/93/614856193.db2.gz FTRGQAWXRDPVIJ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000963902988 614881712 /nfs/dbraw/zinc/88/17/12/614881712.db2.gz UKQFTXIBXDCEJD-FHERZECASA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC)C1 ZINC000970450739 614980882 /nfs/dbraw/zinc/98/08/82/614980882.db2.gz HIATWKQUULDVEE-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000948887359 615135738 /nfs/dbraw/zinc/13/57/38/615135738.db2.gz XTSOALJAGNYKLQ-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737032 615288059 /nfs/dbraw/zinc/28/80/59/615288059.db2.gz MDGDDJMCYHNHNM-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940737032 615288061 /nfs/dbraw/zinc/28/80/61/615288061.db2.gz MDGDDJMCYHNHNM-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940737032 615288065 /nfs/dbraw/zinc/28/80/65/615288065.db2.gz MDGDDJMCYHNHNM-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H](C)C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000981953637 615652690 /nfs/dbraw/zinc/65/26/90/615652690.db2.gz QEWNGYXRRJQVPM-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000981953637 615652692 /nfs/dbraw/zinc/65/26/92/615652692.db2.gz QEWNGYXRRJQVPM-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000981953637 615652694 /nfs/dbraw/zinc/65/26/94/615652694.db2.gz QEWNGYXRRJQVPM-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000309765958 625311557 /nfs/dbraw/zinc/31/15/57/625311557.db2.gz ZKVQZQNCVRMHGJ-QAPCUYQASA-N 2 1 298.434 2.444 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC000235413752 625424338 /nfs/dbraw/zinc/42/43/38/625424338.db2.gz GPGICNZTYOLLNV-NEPJUHHUSA-N 2 1 250.411 2.494 20 0 CEADMP CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001024186306 625461433 /nfs/dbraw/zinc/46/14/33/625461433.db2.gz OYYBSYPJZNVRTL-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@@H+](C)CCNC(=[NH2+])NC1CCCCCC1 ZINC000092278147 622581738 /nfs/dbraw/zinc/58/17/38/622581738.db2.gz REPJAELVKXSSKG-UHFFFAOYSA-N 2 1 268.449 2.345 20 0 CEADMP C[NH+]1CCC(CC[NH2+][C@H]2C[C@H](N)c3ccccc32)CC1 ZINC000229937353 622740406 /nfs/dbraw/zinc/74/04/06/622740406.db2.gz NPBLZYCKIMACGZ-IRXDYDNUSA-N 2 1 273.424 2.453 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806130865 622955824 /nfs/dbraw/zinc/95/58/24/622955824.db2.gz DHHINXMIXLUBSF-CYBMUJFWSA-N 2 1 297.830 2.280 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806130865 622955826 /nfs/dbraw/zinc/95/58/26/622955826.db2.gz DHHINXMIXLUBSF-CYBMUJFWSA-N 2 1 297.830 2.280 20 0 CEADMP CC[N@H+](CCC[NH2+][C@H]1C(=O)NCC1(C)C)C1CCCCC1 ZINC000926647602 625615789 /nfs/dbraw/zinc/61/57/89/625615789.db2.gz DNVSNYADDWXJSQ-HNNXBMFYSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@@H+](CCC[NH2+][C@H]1C(=O)NCC1(C)C)C1CCCCC1 ZINC000926647602 625615792 /nfs/dbraw/zinc/61/57/92/625615792.db2.gz DNVSNYADDWXJSQ-HNNXBMFYSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1cccs1 ZINC000932928358 623395283 /nfs/dbraw/zinc/39/52/83/623395283.db2.gz ZXEILFGLCQRXFK-ZBFHGGJFSA-N 2 1 296.480 2.458 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC000932928358 623395288 /nfs/dbraw/zinc/39/52/88/623395288.db2.gz ZXEILFGLCQRXFK-ZBFHGGJFSA-N 2 1 296.480 2.458 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC000932928358 623395295 /nfs/dbraw/zinc/39/52/95/623395295.db2.gz ZXEILFGLCQRXFK-ZBFHGGJFSA-N 2 1 296.480 2.458 20 0 CEADMP [NH3+]CCCCCCC[NH+]1CCN(C2CCCC2)CC1 ZINC000052063801 625647302 /nfs/dbraw/zinc/64/73/02/625647302.db2.gz PCCKXXGARCIHAQ-UHFFFAOYSA-N 2 1 267.461 2.456 20 0 CEADMP CC[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CCCO1 ZINC000123924595 623552153 /nfs/dbraw/zinc/55/21/53/623552153.db2.gz LGNZJVRBLYAVMI-INIZCTEOSA-N 2 1 274.408 2.333 20 0 CEADMP C[N@@H+](CCOCC1CC1)Cc1cccc2c1CC[NH2+]C2 ZINC000124005405 623559155 /nfs/dbraw/zinc/55/91/55/623559155.db2.gz AIPAPKQJPOMAKD-UHFFFAOYSA-N 2 1 274.408 2.191 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000933624266 623929687 /nfs/dbraw/zinc/92/96/87/623929687.db2.gz WAJVVBUFAKOHNP-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000933624266 623929691 /nfs/dbraw/zinc/92/96/91/623929691.db2.gz WAJVVBUFAKOHNP-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000933624266 623929693 /nfs/dbraw/zinc/92/96/93/623929693.db2.gz WAJVVBUFAKOHNP-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP COc1ccc2c(c1)C[N@H+](CC1CC[NH+](C)CC1)CC2 ZINC000891811186 623987592 /nfs/dbraw/zinc/98/75/92/623987592.db2.gz ZRIWHWSIWSLJDB-UHFFFAOYSA-N 2 1 274.408 2.395 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1C ZINC000892034731 624263228 /nfs/dbraw/zinc/26/32/28/624263228.db2.gz TUOKCABIEAPNPM-OAHLLOKOSA-N 2 1 290.407 2.165 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1C ZINC000892034731 624263229 /nfs/dbraw/zinc/26/32/29/624263229.db2.gz TUOKCABIEAPNPM-OAHLLOKOSA-N 2 1 290.407 2.165 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCOC12CCCC2 ZINC000934386499 624461569 /nfs/dbraw/zinc/46/15/69/624461569.db2.gz LFLRVBHDMLFQAI-AWEZNQCLSA-N 2 1 263.385 2.273 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000743854452 624928190 /nfs/dbraw/zinc/92/81/90/624928190.db2.gz XTMNHNROBHOMDM-FXUDXRNXSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000743854452 624928193 /nfs/dbraw/zinc/92/81/93/624928193.db2.gz XTMNHNROBHOMDM-FXUDXRNXSA-N 2 1 266.429 2.096 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)OC ZINC000926502278 624946774 /nfs/dbraw/zinc/94/67/74/624946774.db2.gz DXJXMMUEQAWVQZ-UCHQMPSGSA-N 2 1 298.471 2.279 20 0 CEADMP C[C@H]1CC2(CC([NH2+]CCCC[N@@H+](C)C3CC3)C2)CO1 ZINC000926561398 625090153 /nfs/dbraw/zinc/09/01/53/625090153.db2.gz XVFJHISDPAESHE-HLIUYOAVSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309673924 625264691 /nfs/dbraw/zinc/26/46/91/625264691.db2.gz VEHQCPDPTKFEDH-HNNXBMFYSA-N 2 1 274.412 2.031 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)ccc2NC)C1 ZINC000902078406 634451485 /nfs/dbraw/zinc/45/14/85/634451485.db2.gz LECPGPMNSBSJFZ-CQSZACIVSA-N 2 1 261.413 2.468 20 0 CEADMP CCNC(NC[C@H](c1cccs1)[NH+]1CCCC1)=[NH+]CC ZINC000066242364 625815956 /nfs/dbraw/zinc/81/59/56/625815956.db2.gz MKBNDZJCHBNHOM-CYBMUJFWSA-N 2 1 294.468 2.460 20 0 CEADMP Cc1cc(F)ncc1CNCCC[N@H+](C)C(C)C ZINC000892516969 625873918 /nfs/dbraw/zinc/87/39/18/625873918.db2.gz TWSBMMVIBIQUQK-UHFFFAOYSA-N 2 1 253.365 2.349 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000892516969 625873919 /nfs/dbraw/zinc/87/39/19/625873919.db2.gz TWSBMMVIBIQUQK-UHFFFAOYSA-N 2 1 253.365 2.349 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000892516969 625873921 /nfs/dbraw/zinc/87/39/21/625873921.db2.gz TWSBMMVIBIQUQK-UHFFFAOYSA-N 2 1 253.365 2.349 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[NH+]3CCCC[C@@H]13)C2 ZINC000820807394 634534323 /nfs/dbraw/zinc/53/43/23/634534323.db2.gz HNYDOLZOTUXLQQ-JQWQUYJUSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000820807394 634534326 /nfs/dbraw/zinc/53/43/26/634534326.db2.gz HNYDOLZOTUXLQQ-JQWQUYJUSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000820807394 634534332 /nfs/dbraw/zinc/53/43/32/634534332.db2.gz HNYDOLZOTUXLQQ-JQWQUYJUSA-N 2 1 289.467 2.361 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(C[NH+](C)C)c1 ZINC000820841233 634548229 /nfs/dbraw/zinc/54/82/29/634548229.db2.gz JJBDLRJLHOWXRW-CQSZACIVSA-N 3 1 286.423 2.375 20 0 CEADMP CC(=O)OC[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000892585527 627290676 /nfs/dbraw/zinc/29/06/76/627290676.db2.gz VDBPXJKKERMBGN-ZIAGYGMSSA-N 2 1 270.417 2.182 20 0 CEADMP COC1CCC(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000892586738 627292239 /nfs/dbraw/zinc/29/22/39/627292239.db2.gz NSGFZHMIIOIZBQ-CKUJCDMFSA-N 2 1 266.429 2.408 20 0 CEADMP COC1CCC(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000892586738 627292243 /nfs/dbraw/zinc/29/22/43/627292243.db2.gz NSGFZHMIIOIZBQ-CKUJCDMFSA-N 2 1 266.429 2.408 20 0 CEADMP COC1CCC(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000892586741 627292395 /nfs/dbraw/zinc/29/23/95/627292395.db2.gz NSGFZHMIIOIZBQ-SSHXOBKSSA-N 2 1 266.429 2.408 20 0 CEADMP COC1CCC(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000892586741 627292401 /nfs/dbraw/zinc/29/24/01/627292401.db2.gz NSGFZHMIIOIZBQ-SSHXOBKSSA-N 2 1 266.429 2.408 20 0 CEADMP Cn1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C1CC1 ZINC000892608613 627308075 /nfs/dbraw/zinc/30/80/75/627308075.db2.gz RKIFEASWORKMGN-LSDHHAIUSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C1CC1 ZINC000892608613 627308081 /nfs/dbraw/zinc/30/80/81/627308081.db2.gz RKIFEASWORKMGN-LSDHHAIUSA-N 2 1 274.412 2.014 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(Cl)n3)C[C@@H]2C1 ZINC000311238241 627392790 /nfs/dbraw/zinc/39/27/90/627392790.db2.gz XOQHSHCOLFLDQV-NEPJUHHUSA-N 2 1 265.788 2.119 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(Cl)n3)C[C@@H]2C1 ZINC000311238241 627392794 /nfs/dbraw/zinc/39/27/94/627392794.db2.gz XOQHSHCOLFLDQV-NEPJUHHUSA-N 2 1 265.788 2.119 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(Cl)n3)C[C@@H]2C1 ZINC000311238241 627392797 /nfs/dbraw/zinc/39/27/97/627392797.db2.gz XOQHSHCOLFLDQV-NEPJUHHUSA-N 2 1 265.788 2.119 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)n3)C[C@@H]2C1 ZINC000311238241 627392799 /nfs/dbraw/zinc/39/27/99/627392799.db2.gz XOQHSHCOLFLDQV-NEPJUHHUSA-N 2 1 265.788 2.119 20 0 CEADMP CC[N@@H+](CCN[C@@H]1CC[NH2+]CC(C)(C)C1)C(C)C ZINC000902346794 634586019 /nfs/dbraw/zinc/58/60/19/634586019.db2.gz QSFNRWLBQGZAJN-CQSZACIVSA-N 2 1 255.450 2.085 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](CO)c2ccsc2)C1 ZINC000902374954 634605606 /nfs/dbraw/zinc/60/56/06/634605606.db2.gz SOQVMNDFOIKGSU-QWHCGFSZSA-N 2 1 268.426 2.149 20 0 CEADMP CC[N@H+]1C[C@H](C)N(c2cc(N)[nH+]cc2Cl)C[C@H]1C ZINC000893049587 627966729 /nfs/dbraw/zinc/96/67/29/627966729.db2.gz CZDTTXIXZIEZPZ-ZJUUUORDSA-N 2 1 268.792 2.236 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000902406084 634620699 /nfs/dbraw/zinc/62/06/99/634620699.db2.gz LBHOKRWWTSQPMG-GFCCVEGCSA-N 2 1 289.379 2.175 20 0 CEADMP C[C@@H]([NH3+])[C@H](NC[C@@H](C)C[C@H](C)O)c1ccccc1 ZINC000925511082 628041325 /nfs/dbraw/zinc/04/13/25/628041325.db2.gz FUODXGXOWAQMLM-XPCVCDNBSA-N 2 1 250.386 2.072 20 0 CEADMP Cc1cccc(O[C@H](C)C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000925516208 628058154 /nfs/dbraw/zinc/05/81/54/628058154.db2.gz WCXFQJRAOOKQIN-RMWQOVRUSA-N 2 1 286.419 2.348 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@@H]1CO[NH+]=C(N)[C@@H]1C[C@H]1C ZINC000853730328 628086234 /nfs/dbraw/zinc/08/62/34/628086234.db2.gz FBHZGFGSAVGZGE-JHJVBQTASA-N 2 1 253.390 2.404 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CO[NH+]=C(N)[C@@H]1C[C@H]1C ZINC000853730328 628086238 /nfs/dbraw/zinc/08/62/38/628086238.db2.gz FBHZGFGSAVGZGE-JHJVBQTASA-N 2 1 253.390 2.404 20 0 CEADMP CNc1cc(NCC2(C[NH+](C)C)CCCC2)nc[nH+]1 ZINC000893182206 628097745 /nfs/dbraw/zinc/09/77/45/628097745.db2.gz KCEGPWXYRPSQLH-UHFFFAOYSA-N 2 1 263.389 2.052 20 0 CEADMP CNc1cc(NCC2(C[NH+](C)C)CCCC2)[nH+]cn1 ZINC000893182206 628097749 /nfs/dbraw/zinc/09/77/49/628097749.db2.gz KCEGPWXYRPSQLH-UHFFFAOYSA-N 2 1 263.389 2.052 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902386058 634628874 /nfs/dbraw/zinc/62/88/74/634628874.db2.gz BBXZRUAAPANDGJ-HUUCEWRRSA-N 2 1 269.477 2.475 20 0 CEADMP Cc1cc(N)nc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000893194499 628116795 /nfs/dbraw/zinc/11/67/95/628116795.db2.gz HEHBWLVEIWUTCA-IUODEOHRSA-N 2 1 297.406 2.300 20 0 CEADMP Cc1cc(N)nc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000893194499 628116798 /nfs/dbraw/zinc/11/67/98/628116798.db2.gz HEHBWLVEIWUTCA-IUODEOHRSA-N 2 1 297.406 2.300 20 0 CEADMP c1ccc(NCC[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925537982 628151582 /nfs/dbraw/zinc/15/15/82/628151582.db2.gz PNWVQAZWBYBIAE-HNNXBMFYSA-N 2 1 259.397 2.363 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C[N@H+]1C1CC1 ZINC000925542083 628171789 /nfs/dbraw/zinc/17/17/89/628171789.db2.gz NDQBHDCPDNDLJY-SYQHCUMBSA-N 2 1 265.445 2.107 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CN1C1CC1 ZINC000925542083 628171793 /nfs/dbraw/zinc/17/17/93/628171793.db2.gz NDQBHDCPDNDLJY-SYQHCUMBSA-N 2 1 265.445 2.107 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCOc1ccccc1F ZINC000925544498 628180780 /nfs/dbraw/zinc/18/07/80/628180780.db2.gz ABEHCROKSYJMPP-JSGCOSHPSA-N 2 1 266.360 2.325 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000925558948 628224788 /nfs/dbraw/zinc/22/47/88/628224788.db2.gz UGEKMQVVGDEPFR-ZYHUDNBSSA-N 2 1 253.777 2.008 20 0 CEADMP FCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309954036 628233967 /nfs/dbraw/zinc/23/39/67/628233967.db2.gz HRQGWWVIRWIZIY-JKSUJKDBSA-N 2 1 262.372 2.410 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000902403874 634640534 /nfs/dbraw/zinc/64/05/34/634640534.db2.gz TZFNNEYHMVVPCZ-LBPRGKRZSA-N 2 1 263.385 2.420 20 0 CEADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902418177 634643406 /nfs/dbraw/zinc/64/34/06/634643406.db2.gz WBFZNPHWOGXYEJ-LBPRGKRZSA-N 2 1 290.411 2.358 20 0 CEADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902418176 634643768 /nfs/dbraw/zinc/64/37/68/634643768.db2.gz WBFZNPHWOGXYEJ-GFCCVEGCSA-N 2 1 290.411 2.358 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925608171 628289535 /nfs/dbraw/zinc/28/95/35/628289535.db2.gz ZYAMDYXFBWXDKC-ZIAGYGMSSA-N 2 1 255.450 2.212 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925608171 628289537 /nfs/dbraw/zinc/28/95/37/628289537.db2.gz ZYAMDYXFBWXDKC-ZIAGYGMSSA-N 3 1 255.450 2.212 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925608171 628289541 /nfs/dbraw/zinc/28/95/41/628289541.db2.gz ZYAMDYXFBWXDKC-ZIAGYGMSSA-N 3 1 255.450 2.212 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925608170 628289868 /nfs/dbraw/zinc/28/98/68/628289868.db2.gz ZYAMDYXFBWXDKC-UONOGXRCSA-N 2 1 255.450 2.212 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925608170 628289870 /nfs/dbraw/zinc/28/98/70/628289870.db2.gz ZYAMDYXFBWXDKC-UONOGXRCSA-N 3 1 255.450 2.212 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925608170 628289872 /nfs/dbraw/zinc/28/98/72/628289872.db2.gz ZYAMDYXFBWXDKC-UONOGXRCSA-N 3 1 255.450 2.212 20 0 CEADMP C[C@@H]([NH3+])[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccccc1 ZINC000925616620 628303360 /nfs/dbraw/zinc/30/33/60/628303360.db2.gz SJYJKWOKYHVPDU-XOUADPBQSA-N 2 1 262.397 2.216 20 0 CEADMP COc1ccc(F)cc1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925646408 628348148 /nfs/dbraw/zinc/34/81/48/628348148.db2.gz UYSXJHIZAGROPR-KGLIPLIRSA-N 2 1 264.344 2.194 20 0 CEADMP Cc1csc([C@H](C)C[NH2+][C@H]2CCC[NH2+][C@@H]2C)n1 ZINC000925647181 628348774 /nfs/dbraw/zinc/34/87/74/628348774.db2.gz ACDWHDMFEAVETN-JLLWLGSASA-N 2 1 253.415 2.285 20 0 CEADMP CC(C)C[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001026561088 628358709 /nfs/dbraw/zinc/35/87/09/628358709.db2.gz OAMILWBPHXYOTD-FHERZECASA-N 2 1 295.471 2.001 20 0 CEADMP Cc1cc(Cl)nc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925659596 628371275 /nfs/dbraw/zinc/37/12/75/628371275.db2.gz FBEIGGDXKUNOBF-NWDGAFQWSA-N 2 1 265.788 2.403 20 0 CEADMP CC(C)(C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccn1 ZINC000925678878 628472562 /nfs/dbraw/zinc/47/25/62/628472562.db2.gz HKIPPJDFUNVYNS-CQSZACIVSA-N 2 1 259.397 2.233 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)C12CCC2 ZINC000925681362 628477777 /nfs/dbraw/zinc/47/77/77/628477777.db2.gz XLXLRZQYGSSWAG-MNOVXSKESA-N 2 1 285.313 2.460 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925686446 628492363 /nfs/dbraw/zinc/49/23/63/628492363.db2.gz UGSCKLJWUIRORU-NXHRZFHOSA-N 3 1 293.499 2.476 20 0 CEADMP c1cncc([C@@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C34CCC4)CCO2)c1 ZINC000925688169 628497254 /nfs/dbraw/zinc/49/72/54/628497254.db2.gz DOENLYCKWAHAEE-PMPSAXMXSA-N 2 1 287.407 2.176 20 0 CEADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925690894 628506567 /nfs/dbraw/zinc/50/65/67/628506567.db2.gz HYPWHWBALYIUQN-JKSUJKDBSA-N 3 1 267.461 2.132 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000925695069 628520063 /nfs/dbraw/zinc/52/00/63/628520063.db2.gz WPQAXFOKYWMFSJ-KFWWJZLASA-N 2 1 275.396 2.032 20 0 CEADMP CCc1nc2c(s1)[C@@H]([NH2+]CC1([NH3+])CC1)CCC2 ZINC000902413468 634663296 /nfs/dbraw/zinc/66/32/96/634663296.db2.gz MEOHNIFLOGCZNU-VIFPVBQESA-N 2 1 251.399 2.164 20 0 CEADMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(C)n1 ZINC000931435339 628578891 /nfs/dbraw/zinc/57/88/91/628578891.db2.gz CATXCUYXZADZSX-CVEARBPZSA-N 2 1 259.397 2.082 20 0 CEADMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(C)n1 ZINC000931435339 628578897 /nfs/dbraw/zinc/57/88/97/628578897.db2.gz CATXCUYXZADZSX-CVEARBPZSA-N 2 1 259.397 2.082 20 0 CEADMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(C)n1 ZINC000931435339 628578902 /nfs/dbraw/zinc/57/89/02/628578902.db2.gz CATXCUYXZADZSX-CVEARBPZSA-N 2 1 259.397 2.082 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000902479410 634669528 /nfs/dbraw/zinc/66/95/28/634669528.db2.gz XMFPICOMXIDUGK-HIFRSBDPSA-N 2 1 277.412 2.143 20 0 CEADMP COCCOC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488480 628649169 /nfs/dbraw/zinc/64/91/69/628649169.db2.gz RJMIXEIWTAPORB-JYJNAYRXSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000925729097 628656650 /nfs/dbraw/zinc/65/66/50/628656650.db2.gz IEGMZFBKRGUKQC-LNSITVRQSA-N 2 1 282.815 2.146 20 0 CEADMP CC(C)[C@@H]1CC[C@@H]1[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750181 628710080 /nfs/dbraw/zinc/71/00/80/628710080.db2.gz DLOMBOMNRCRXKL-JQWIXIFHSA-N 2 1 265.426 2.395 20 0 CEADMP CC(C)[C@@H]1CC[C@@H]1[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750181 628710083 /nfs/dbraw/zinc/71/00/83/628710083.db2.gz DLOMBOMNRCRXKL-JQWIXIFHSA-N 2 1 265.426 2.395 20 0 CEADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cscc1Cl ZINC000925772644 628778438 /nfs/dbraw/zinc/77/84/38/628778438.db2.gz TUZPIQQPJGENJQ-PEXQALLHSA-N 2 1 274.817 2.243 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1c[nH+]ccc1N ZINC000925775639 628795586 /nfs/dbraw/zinc/79/55/86/628795586.db2.gz REUJBCAVOKKOSD-QWHCGFSZSA-N 2 1 275.396 2.494 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1c[nH+]ccc1N ZINC000925775645 628795876 /nfs/dbraw/zinc/79/58/76/628795876.db2.gz REUJBCAVOKKOSD-STQMWFEESA-N 2 1 275.396 2.494 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Cl)c1 ZINC000925785938 628824182 /nfs/dbraw/zinc/82/41/82/628824182.db2.gz QOQKNHYFWIPAQR-OSAQELSMSA-N 2 1 282.815 2.473 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)ccc1F ZINC000925790529 628833907 /nfs/dbraw/zinc/83/39/07/628833907.db2.gz IOIPVUYEFNUEIW-MXWKQRLJSA-N 2 1 254.324 2.471 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000094370890 628833954 /nfs/dbraw/zinc/83/39/54/628833954.db2.gz AUOAFOSYTRXEJG-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCc1cccs1)C2 ZINC000310181726 628839692 /nfs/dbraw/zinc/83/96/92/628839692.db2.gz WNOYXCMZBJRLJS-JSGCOSHPSA-N 2 1 250.411 2.351 20 0 CEADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cnn(C2CCC2)c1 ZINC000925811092 628862152 /nfs/dbraw/zinc/86/21/52/628862152.db2.gz CBXAEHLZRDQKRU-JSGCOSHPSA-N 2 1 285.395 2.470 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925824711 628894506 /nfs/dbraw/zinc/89/45/06/628894506.db2.gz UNTFETQGODQALF-KZYLPZIUSA-N 3 1 279.472 2.371 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925835742 628933027 /nfs/dbraw/zinc/93/30/27/628933027.db2.gz UCSBQTVCMFSVDI-UPJWGTAASA-N 2 1 293.377 2.133 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000925860891 628962025 /nfs/dbraw/zinc/96/20/25/628962025.db2.gz LOVQJYUOHFRUTP-JHJVBQTASA-N 2 1 254.443 2.392 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000924875349 629151093 /nfs/dbraw/zinc/15/10/93/629151093.db2.gz YVMYTTMDRLUOGR-CABCVRRESA-N 2 1 265.401 2.112 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOc1cccc(F)c1 ZINC000902519089 634712599 /nfs/dbraw/zinc/71/25/99/634712599.db2.gz XOVABDFFYLDCGB-DOMZBBRYSA-N 2 1 266.360 2.182 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000894151818 629172435 /nfs/dbraw/zinc/17/24/35/629172435.db2.gz AATMCVUNJSNHSD-UHFFFAOYSA-N 2 1 276.428 2.184 20 0 CEADMP O=S1CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000894223926 629237482 /nfs/dbraw/zinc/23/74/82/629237482.db2.gz RBEBOTJQZOBMEU-CZDRUDQFSA-N 2 1 298.496 2.284 20 0 CEADMP O=S1CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000894223926 629237486 /nfs/dbraw/zinc/23/74/86/629237486.db2.gz RBEBOTJQZOBMEU-CZDRUDQFSA-N 2 1 298.496 2.284 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924915587 629252095 /nfs/dbraw/zinc/25/20/95/629252095.db2.gz HRRBKSLXBAVRMQ-HESLUPGFSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924915587 629252097 /nfs/dbraw/zinc/25/20/97/629252097.db2.gz HRRBKSLXBAVRMQ-HESLUPGFSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1CC[C@@H](C)C1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000925023095 629369787 /nfs/dbraw/zinc/36/97/87/629369787.db2.gz KSXRSWWXVJJEJF-KFWWJZLASA-N 2 1 268.445 2.248 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)CC1 ZINC000894396874 629430477 /nfs/dbraw/zinc/43/04/77/629430477.db2.gz JPEGYLYOZTXRMD-HNNXBMFYSA-N 2 1 262.401 2.279 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000894480345 629485393 /nfs/dbraw/zinc/48/53/93/629485393.db2.gz YZMFCHWUTPAINS-AWEZNQCLSA-N 2 1 278.396 2.452 20 0 CEADMP CNc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000902621358 634748499 /nfs/dbraw/zinc/74/84/99/634748499.db2.gz GMEOQTIFWDLFFY-INIZCTEOSA-N 2 1 289.423 2.071 20 0 CEADMP COC[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)CC1 ZINC000894792590 629649185 /nfs/dbraw/zinc/64/91/85/629649185.db2.gz YJPWSPBQYPPRTC-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC(C)(O)CC2)C1 ZINC000894861147 629698417 /nfs/dbraw/zinc/69/84/17/629698417.db2.gz QKRTXWUCZQAETL-NFOMZHRRSA-N 2 1 254.418 2.002 20 0 CEADMP OCc1c[nH+]ccc1NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000895018001 629804327 /nfs/dbraw/zinc/80/43/27/629804327.db2.gz JRVJGQHEDMFNBL-INIZCTEOSA-N 2 1 289.423 2.205 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000262145354 629935807 /nfs/dbraw/zinc/93/58/07/629935807.db2.gz QIOAYTVUOXDQLP-DOTOQJQBSA-N 2 1 290.407 2.025 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000895130797 629937944 /nfs/dbraw/zinc/93/79/44/629937944.db2.gz SIPAUYUJYKCWJB-INIZCTEOSA-N 2 1 295.471 2.288 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C)(O)CC2)[C@H]2CCC[C@@H]21 ZINC000796799525 630011604 /nfs/dbraw/zinc/01/16/04/630011604.db2.gz QFKDORFUZUHLAR-KEYQJZJPSA-N 2 1 266.429 2.142 20 0 CEADMP C[C@H](CC[NH2+]Cc1ccc2nccnc2c1)[NH+](C)C ZINC000895290528 630083233 /nfs/dbraw/zinc/08/32/33/630083233.db2.gz KQKDSGOSQFIUSR-GFCCVEGCSA-N 2 1 258.369 2.060 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000797113576 630136055 /nfs/dbraw/zinc/13/60/55/630136055.db2.gz DGZMPWPQWLXIGD-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000797113576 630136057 /nfs/dbraw/zinc/13/60/57/630136057.db2.gz DGZMPWPQWLXIGD-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP CC1=NO[C@H](C[NH2+]C2CC[NH+](CCC(C)C)CC2)C1 ZINC000895428033 630178868 /nfs/dbraw/zinc/17/88/68/630178868.db2.gz FBXHOZMMIVQDOV-HNNXBMFYSA-N 2 1 267.417 2.251 20 0 CEADMP C[NH+]1CCC(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000895479182 630213820 /nfs/dbraw/zinc/21/38/20/630213820.db2.gz LLPFBRIXTOFBRQ-QGZVFWFLSA-N 3 1 279.472 2.040 20 0 CEADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000895509921 630228481 /nfs/dbraw/zinc/22/84/81/630228481.db2.gz YCAYPQIYTUEUNI-NVXWUHKLSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@H](CN(C)C)[C@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000895509921 630228483 /nfs/dbraw/zinc/22/84/83/630228483.db2.gz YCAYPQIYTUEUNI-NVXWUHKLSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@H](CN(C)C)[C@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000895509921 630228485 /nfs/dbraw/zinc/22/84/85/630228485.db2.gz YCAYPQIYTUEUNI-NVXWUHKLSA-N 2 1 281.488 2.380 20 0 CEADMP Cc1ncc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)o1 ZINC000895555825 630247415 /nfs/dbraw/zinc/24/74/15/630247415.db2.gz BYPGUALIGQPPPG-GFCCVEGCSA-N 2 1 272.352 2.089 20 0 CEADMP Cc1ncc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)o1 ZINC000895555825 630247419 /nfs/dbraw/zinc/24/74/19/630247419.db2.gz BYPGUALIGQPPPG-GFCCVEGCSA-N 2 1 272.352 2.089 20 0 CEADMP CC(C)CCCC[NH+]1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000895700637 630307024 /nfs/dbraw/zinc/30/70/24/630307024.db2.gz YGLDTNNGTZQEOO-IAGOWNOFSA-N 3 1 283.504 2.484 20 0 CEADMP CCC1([NH+]2CCC2)CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC000895823056 630362421 /nfs/dbraw/zinc/36/24/21/630362421.db2.gz SUWJJEQBYXTHOQ-UHFFFAOYSA-N 2 1 276.428 2.179 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC000902783053 634827429 /nfs/dbraw/zinc/82/74/29/634827429.db2.gz VBIJJRDYCZYGBR-CZUORRHYSA-N 2 1 285.391 2.421 20 0 CEADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)CC1 ZINC000896791787 630670520 /nfs/dbraw/zinc/67/05/20/630670520.db2.gz DWYHHUFMPNNVAS-ROUUACIJSA-N 2 1 285.435 2.291 20 0 CEADMP CCO[C@@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)C[NH+](C)C ZINC000896879847 630699069 /nfs/dbraw/zinc/69/90/69/630699069.db2.gz ICNGTNDZRLQTNK-ULQDDVLXSA-N 2 1 276.424 2.346 20 0 CEADMP C[N@H+]1C[C@@H]2CN(c3cc[nH+]cc3C3CC3)C[C@]2(C)C1 ZINC000896912370 630796495 /nfs/dbraw/zinc/79/64/95/630796495.db2.gz VDUYGQHQQWJTNO-CJNGLKHVSA-N 2 1 257.381 2.347 20 0 CEADMP C[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+]1C(C)(C)C)C1CCCC1 ZINC000896984696 630864081 /nfs/dbraw/zinc/86/40/81/630864081.db2.gz FIHFEHXPZIFCIV-HNNXBMFYSA-N 2 1 295.471 2.192 20 0 CEADMP COC[C@@H](C)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957271 630956613 /nfs/dbraw/zinc/95/66/13/630956613.db2.gz PWNJQJFDJGVHBZ-AWEZNQCLSA-N 2 1 254.418 2.077 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904299894 635554223 /nfs/dbraw/zinc/55/42/23/635554223.db2.gz QVQPODUYOQYZHF-OCCSQVGLSA-N 3 1 255.450 2.199 20 0 CEADMP OCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000799728378 631071382 /nfs/dbraw/zinc/07/13/82/631071382.db2.gz BJTCZLJEVSYEQZ-KURKYZTESA-N 2 1 288.435 2.197 20 0 CEADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897321043 631112385 /nfs/dbraw/zinc/11/23/85/631112385.db2.gz IFCMTDLEDWOFRA-DZGCQCFKSA-N 2 1 295.471 2.048 20 0 CEADMP C[NH+]1CCC([NH2+]CC(C)(C)C2CCOCC2)CC1 ZINC000897450363 631522709 /nfs/dbraw/zinc/52/27/09/631522709.db2.gz ICEUTGVNMVNANH-UHFFFAOYSA-N 2 1 254.418 2.123 20 0 CEADMP COc1ccccc1/C=C\C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421293 635632988 /nfs/dbraw/zinc/63/29/88/635632988.db2.gz XCPJJNWHUURDPN-ANIZGFEYSA-N 2 1 272.392 2.250 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421293 635632993 /nfs/dbraw/zinc/63/29/93/635632993.db2.gz XCPJJNWHUURDPN-ANIZGFEYSA-N 2 1 272.392 2.250 20 0 CEADMP CSC1(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCC1 ZINC000897620855 631833926 /nfs/dbraw/zinc/83/39/26/631833926.db2.gz YSHAKOVKGXKNMR-QWHCGFSZSA-N 2 1 254.443 2.156 20 0 CEADMP CSC1(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCC1 ZINC000897620855 631833932 /nfs/dbraw/zinc/83/39/32/631833932.db2.gz YSHAKOVKGXKNMR-QWHCGFSZSA-N 2 1 254.443 2.156 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000897806434 631924320 /nfs/dbraw/zinc/92/43/20/631924320.db2.gz UNGMURWTENZBIL-UONOGXRCSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897806434 631924325 /nfs/dbraw/zinc/92/43/25/631924325.db2.gz UNGMURWTENZBIL-UONOGXRCSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897806434 631924327 /nfs/dbraw/zinc/92/43/27/631924327.db2.gz UNGMURWTENZBIL-UONOGXRCSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCCCCC[NH+]1CCCC1 ZINC000897854133 631947766 /nfs/dbraw/zinc/94/77/66/631947766.db2.gz YSQLWTZRXMBRKO-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H]32)CC1 ZINC000897959060 631991223 /nfs/dbraw/zinc/99/12/23/631991223.db2.gz PPFNBENLAWNQHG-BSWAZPDLSA-N 2 1 278.440 2.408 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCOC23CCCC3)s1 ZINC000898112609 632054099 /nfs/dbraw/zinc/05/40/99/632054099.db2.gz TXSOXHKMUDDELS-CYBMUJFWSA-N 2 1 295.452 2.396 20 0 CEADMP C[NH+](C)[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)C1(C)C ZINC000898100750 632064589 /nfs/dbraw/zinc/06/45/89/632064589.db2.gz FKBGULIANMICGK-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CC)CC1 ZINC000989458037 632117383 /nfs/dbraw/zinc/11/73/83/632117383.db2.gz ZFCJCLNGQDLJCG-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](CC)CC1 ZINC000989458037 632117387 /nfs/dbraw/zinc/11/73/87/632117387.db2.gz ZFCJCLNGQDLJCG-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](CC)CC1 ZINC000989458037 632117394 /nfs/dbraw/zinc/11/73/94/632117394.db2.gz ZFCJCLNGQDLJCG-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCC1 ZINC000322460824 632209541 /nfs/dbraw/zinc/20/95/41/632209541.db2.gz LIBCHAQIILQNIC-JYJNAYRXSA-N 2 1 266.429 2.408 20 0 CEADMP CCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCC1 ZINC000322460824 632209543 /nfs/dbraw/zinc/20/95/43/632209543.db2.gz LIBCHAQIILQNIC-JYJNAYRXSA-N 2 1 266.429 2.408 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1C[C@H](OCC)C12CCCC2)C[NH+](C)C ZINC000926961056 632388152 /nfs/dbraw/zinc/38/81/52/632388152.db2.gz OAQLBFYZVWSIJE-PMPSAXMXSA-N 2 1 298.471 2.281 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)C[NH+](C)C ZINC000926964470 632393181 /nfs/dbraw/zinc/39/31/81/632393181.db2.gz XFNKBZDRKZFKIV-GBJTYRQASA-N 2 1 254.418 2.121 20 0 CEADMP CCO[C@@H](CN[C@H]1CCc2ccccc21)C[NH+](C)C ZINC000926967021 632397004 /nfs/dbraw/zinc/39/70/04/632397004.db2.gz ZJIMXNDRDJOHAG-HOCLYGCPSA-N 2 1 262.397 2.230 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000873234425 632411174 /nfs/dbraw/zinc/41/11/74/632411174.db2.gz FCNDAVWHZKODGQ-MELADBBJSA-N 2 1 254.418 2.312 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000927010947 632415147 /nfs/dbraw/zinc/41/51/47/632415147.db2.gz ODGCZKXDYNAXTC-QGPPMGRFSA-N 2 1 278.440 2.408 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000924712255 632450629 /nfs/dbraw/zinc/45/06/29/632450629.db2.gz GZEMXEWHNUDMKA-LSDHHAIUSA-N 2 1 265.401 2.232 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](CC(=O)OC)C2)[C@@H](C)C1 ZINC000898481072 632513395 /nfs/dbraw/zinc/51/33/95/632513395.db2.gz LTTFZRDASPSLPA-BYNSBNAKSA-N 2 1 282.428 2.038 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cnnn1-c1ccccc1 ZINC000813325986 632665975 /nfs/dbraw/zinc/66/59/75/632665975.db2.gz NXPUQLWCTRJDNC-CABCVRRESA-N 2 1 299.422 2.260 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cnnn1-c1ccccc1 ZINC000813325986 632665980 /nfs/dbraw/zinc/66/59/80/632665980.db2.gz NXPUQLWCTRJDNC-CABCVRRESA-N 2 1 299.422 2.260 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@H](C)C2CC2)C1 ZINC000899264552 632761902 /nfs/dbraw/zinc/76/19/02/632761902.db2.gz IGTXKXIFVSLAPC-CHWSQXEVSA-N 2 1 266.433 2.019 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@]1(C)CCCO1 ZINC000815579761 633033442 /nfs/dbraw/zinc/03/34/42/633033442.db2.gz UGWOIOJGEPPCCF-USXIJHARSA-N 2 1 296.455 2.177 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(-n3ccnc3)nc2)C[C@H]1C[NH3+] ZINC000817865626 633747866 /nfs/dbraw/zinc/74/78/66/633747866.db2.gz MEJSYVVCBKSDKS-IIAWOOMASA-N 2 1 299.422 2.073 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCCCCC[NH3+])C[C@@H]1C[NH3+] ZINC000817880372 633750815 /nfs/dbraw/zinc/75/08/15/633750815.db2.gz QRHQRXXQXVPXIG-KFWWJZLASA-N 3 1 255.450 2.201 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1cccnc1 ZINC000817891552 633754495 /nfs/dbraw/zinc/75/44/95/633754495.db2.gz CSUWRBHBLUWZAF-PBHICJAKSA-N 2 1 285.391 2.009 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000817898742 633760189 /nfs/dbraw/zinc/76/01/89/633760189.db2.gz AYURVUMMGMZDIA-LSDHHAIUSA-N 2 1 285.395 2.017 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])ccc1OC(C)C ZINC000817901147 633762006 /nfs/dbraw/zinc/76/20/06/633762006.db2.gz SMTZCSXVIKHWDF-UONOGXRCSA-N 2 1 278.396 2.452 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000817905620 633765857 /nfs/dbraw/zinc/76/58/57/633765857.db2.gz QLMDQFSBKQVXIP-IXDOHACOSA-N 2 1 270.376 2.343 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000817910564 633768133 /nfs/dbraw/zinc/76/81/33/633768133.db2.gz WBVUENSLZYUOFU-MLGOLLRUSA-N 2 1 271.364 2.187 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]Cc1nc(-c2ccccc2)n[nH]1 ZINC000817912389 633770201 /nfs/dbraw/zinc/77/02/01/633770201.db2.gz UJRJIWUKKKBADX-LBPRGKRZSA-N 2 1 273.384 2.079 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccco2)c2ccccc21 ZINC000817913864 633772297 /nfs/dbraw/zinc/77/22/97/633772297.db2.gz NRWPLUKVROVHGY-RDBSUJKOSA-N 2 1 258.321 2.047 20 0 CEADMP Cc1ncc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)s1 ZINC000817916226 633774466 /nfs/dbraw/zinc/77/44/66/633774466.db2.gz VQTXMGICCAIFPG-ZWNOBZJWSA-N 2 1 253.415 2.114 20 0 CEADMP C[C@](O)(C[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccccc1Cl ZINC000817923250 633779817 /nfs/dbraw/zinc/77/98/17/633779817.db2.gz VDVIDOVKFAQYJQ-RDBSUJKOSA-N 2 1 268.788 2.017 20 0 CEADMP C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000817924343 633780376 /nfs/dbraw/zinc/78/03/76/633780376.db2.gz QPEVUEAVODRCOO-DJIMGWMZSA-N 2 1 276.424 2.404 20 0 CEADMP C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1c[nH+]ccc1N ZINC000817923549 633780868 /nfs/dbraw/zinc/78/08/68/633780868.db2.gz BJXAQNQMOILWJF-DYVFJYSZSA-N 2 1 285.391 2.443 20 0 CEADMP [NH3+]CCc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000817947888 633793826 /nfs/dbraw/zinc/79/38/26/633793826.db2.gz DWHPKTCUYWPEKD-ROUUACIJSA-N 3 1 281.403 2.422 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccnc(Cl)c1 ZINC000817970703 633813116 /nfs/dbraw/zinc/81/31/16/633813116.db2.gz CMNVWTLFBQBADZ-SCVCMEIPSA-N 2 1 253.777 2.384 20 0 CEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Cl)c(N)c(Cl)c1 ZINC000817977277 633820085 /nfs/dbraw/zinc/82/00/85/633820085.db2.gz GAAZYCVORXPEEA-WRNXMPKJSA-N 2 1 286.206 2.444 20 0 CEADMP ClC1(Cl)C[C@H]1CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000818335173 633910609 /nfs/dbraw/zinc/91/06/09/633910609.db2.gz KFGBZKUEOZUIHK-SNVBAGLBSA-N 2 1 263.212 2.398 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000818963361 634018433 /nfs/dbraw/zinc/01/84/33/634018433.db2.gz QZBIQFASVRONSF-HLLBOEOZSA-N 2 1 292.398 2.384 20 0 CEADMP CCCCCC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000818971688 634020072 /nfs/dbraw/zinc/02/00/72/634020072.db2.gz BBYRCXJLGTWXHB-HOCLYGCPSA-N 2 1 268.445 2.392 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000818988226 634030862 /nfs/dbraw/zinc/03/08/62/634030862.db2.gz GLRZASNIFQMVRF-AWEZNQCLSA-N 2 1 279.771 2.168 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1ccccc1F ZINC000819099835 634068290 /nfs/dbraw/zinc/06/82/90/634068290.db2.gz CLMPXWJPPSAEEF-INIZCTEOSA-N 2 1 291.370 2.434 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)C1=CC[N@@H+](C)CC1 ZINC000819220275 634107884 /nfs/dbraw/zinc/10/78/84/634107884.db2.gz LIFFIVQGYWSISG-BZNIZROVSA-N 2 1 296.361 2.238 20 0 CEADMP C[C@@]1(C[NH2+]C[C@@H](O)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000819284002 634128023 /nfs/dbraw/zinc/12/80/23/634128023.db2.gz NYLLHBINDCQCBQ-MSOLQXFVSA-N 2 1 288.435 2.259 20 0 CEADMP C[C@]1(C[NH2+]C[C@@H](O)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000819284006 634128249 /nfs/dbraw/zinc/12/82/49/634128249.db2.gz NYLLHBINDCQCBQ-QZTJIDSGSA-N 2 1 288.435 2.259 20 0 CEADMP Cc1ccccc1[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000819366084 634157431 /nfs/dbraw/zinc/15/74/31/634157431.db2.gz IHCBIBQOGJMGIN-WBVHZDCISA-N 2 1 276.424 2.350 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)C ZINC000902787062 634833103 /nfs/dbraw/zinc/83/31/03/634833103.db2.gz WILKSKIVUAXOOY-AALSBFMBSA-N 2 1 266.429 2.120 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)C ZINC000902787062 634833107 /nfs/dbraw/zinc/83/31/07/634833107.db2.gz WILKSKIVUAXOOY-AALSBFMBSA-N 2 1 266.429 2.120 20 0 CEADMP C([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902793932 634836380 /nfs/dbraw/zinc/83/63/80/634836380.db2.gz OXRAEDUAQMCLDO-XFIYOXNOSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902793932 634836385 /nfs/dbraw/zinc/83/63/85/634836385.db2.gz OXRAEDUAQMCLDO-XFIYOXNOSA-N 2 1 264.413 2.018 20 0 CEADMP CC(C)C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903076882 634958824 /nfs/dbraw/zinc/95/88/24/634958824.db2.gz VSRAUHQZGALSEH-XLQNHZQQSA-N 2 1 266.429 2.141 20 0 CEADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H](O)C(F)F ZINC000903178392 634999932 /nfs/dbraw/zinc/99/99/32/634999932.db2.gz HRNVDCFWHHWJGS-ZNCVJJHRSA-N 2 1 288.382 2.138 20 0 CEADMP FC(F)CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903189664 635013040 /nfs/dbraw/zinc/01/30/40/635013040.db2.gz FWVVENCXDIVKPE-IKKMQULASA-N 2 1 299.409 2.073 20 0 CEADMP C1CC1[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CO1 ZINC000903206096 635015524 /nfs/dbraw/zinc/01/55/24/635015524.db2.gz HGYDLWVGAXLIMR-KXOGJKSZSA-N 2 1 276.424 2.301 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)C1CCOCC1 ZINC000903244408 635026216 /nfs/dbraw/zinc/02/62/16/635026216.db2.gz UHDXAMYGANTQND-MZBDJJRSSA-N 2 1 280.456 2.369 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)CC1(C)C ZINC000903259981 635033185 /nfs/dbraw/zinc/03/31/85/635033185.db2.gz JOYYXTRYUSOWFW-MCIONIFRSA-N 2 1 252.402 2.016 20 0 CEADMP CC/C(C)=C/C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000822952773 635033984 /nfs/dbraw/zinc/03/39/84/635033984.db2.gz YCSYOKGTPPEBGY-QJPKHSJYSA-N 2 1 295.471 2.217 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)[C@@H]2CCC[C@@H]21 ZINC000903261551 635034342 /nfs/dbraw/zinc/03/43/42/635034342.db2.gz ZYVFGLZMJGVMLA-QMHWVQJVSA-N 2 1 264.413 2.016 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000903354715 635083415 /nfs/dbraw/zinc/08/34/15/635083415.db2.gz XIHYXBXDRQQGJT-BFHYXJOUSA-N 2 1 284.444 2.427 20 0 CEADMP C[C@@H](CCCCO)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903380735 635093818 /nfs/dbraw/zinc/09/38/18/635093818.db2.gz OPNOYXYWMRYKIJ-HOCLYGCPSA-N 2 1 279.428 2.215 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CCO)cc2)[C@H]2CCC[C@H]21 ZINC000903402713 635110775 /nfs/dbraw/zinc/11/07/75/635110775.db2.gz GUNQKSRBHRAJNV-FGTMMUONSA-N 2 1 288.435 2.184 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@@H](c3ccccc3F)C2)C1 ZINC000903434598 635115460 /nfs/dbraw/zinc/11/54/60/635115460.db2.gz ILFHTXPLJPSCFJ-WOSRLPQWSA-N 2 1 278.371 2.326 20 0 CEADMP CCC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C[C@H]1CCCCO1 ZINC000903435097 635115503 /nfs/dbraw/zinc/11/55/03/635115503.db2.gz OBOFBJGXSRPVOQ-QLFBSQMISA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[C@H](C[NH3+])C1 ZINC000903463603 635126865 /nfs/dbraw/zinc/12/68/65/635126865.db2.gz GJQDONNMPKQJJY-NAWOPXAZSA-N 2 1 258.356 2.337 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[C@H](C[NH3+])C1 ZINC000903463603 635126866 /nfs/dbraw/zinc/12/68/66/635126866.db2.gz GJQDONNMPKQJJY-NAWOPXAZSA-N 2 1 258.356 2.337 20 0 CEADMP COc1nc(C)cc(C)c1C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903464822 635127284 /nfs/dbraw/zinc/12/72/84/635127284.db2.gz YAVQVCVVSFBHNU-KGLIPLIRSA-N 2 1 277.412 2.266 20 0 CEADMP C[C@H](c1ncccn1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000903453579 635136781 /nfs/dbraw/zinc/13/67/81/635136781.db2.gz CNTOGAQNJJHKIU-ILXRZTDVSA-N 2 1 274.412 2.249 20 0 CEADMP c1cc(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)sn1 ZINC000903453575 635137151 /nfs/dbraw/zinc/13/71/51/635137151.db2.gz CFUXZMUROFMBTI-KGLIPLIRSA-N 2 1 279.453 2.397 20 0 CEADMP c1cc(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)sn1 ZINC000903453576 635137225 /nfs/dbraw/zinc/13/72/25/635137225.db2.gz CFUXZMUROFMBTI-UONOGXRCSA-N 2 1 279.453 2.397 20 0 CEADMP COC[C@@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)C(C)C ZINC000903454611 635138264 /nfs/dbraw/zinc/13/82/64/635138264.db2.gz FIRNIUHZPBGUKZ-CABCVRRESA-N 2 1 256.434 2.402 20 0 CEADMP C[C@H]1COc2ccccc2C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457340 635140403 /nfs/dbraw/zinc/14/04/03/635140403.db2.gz QSARTEIVGLUGBM-GUTXKFCHSA-N 2 1 260.381 2.397 20 0 CEADMP CC1(C)CCC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)O1 ZINC000903472673 635142650 /nfs/dbraw/zinc/14/26/50/635142650.db2.gz UNFZBHSQLNQJAE-STQMWFEESA-N 2 1 252.402 2.208 20 0 CEADMP CC(C)Cc1ccccc1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000903476887 635146610 /nfs/dbraw/zinc/14/66/10/635146610.db2.gz MXPBXWVOHWXMHB-UHFFFAOYSA-N 2 1 290.451 2.431 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@@H]1CCC2(CCC2)O1 ZINC000903481884 635149359 /nfs/dbraw/zinc/14/93/59/635149359.db2.gz PNXMRAANQCOUAW-KBPBESRZSA-N 2 1 264.413 2.352 20 0 CEADMP c1ccc(COCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903483139 635150974 /nfs/dbraw/zinc/15/09/74/635150974.db2.gz DZAMOSDSEUPNQD-MRXNPFEDSA-N 2 1 274.408 2.468 20 0 CEADMP Cn1nccc1[C@@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903566326 635163969 /nfs/dbraw/zinc/16/39/69/635163969.db2.gz PQIHPPDOUSWCBL-SFHVURJKSA-N 2 1 296.418 2.403 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903716789 635231055 /nfs/dbraw/zinc/23/10/55/635231055.db2.gz SAXDWQFRELFWDU-SDDRHHMPSA-N 2 1 280.334 2.028 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903716789 635231056 /nfs/dbraw/zinc/23/10/56/635231056.db2.gz SAXDWQFRELFWDU-SDDRHHMPSA-N 2 1 280.334 2.028 20 0 CEADMP FC(F)(F)[C@@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903717931 635233717 /nfs/dbraw/zinc/23/37/17/635233717.db2.gz GAWLOLNAQIJZOM-UPJWGTAASA-N 2 1 292.345 2.029 20 0 CEADMP CC[N@H+](Cc1cccs1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719405 635234070 /nfs/dbraw/zinc/23/40/70/635234070.db2.gz ZJQGDVBLGFRXHM-HIFRSBDPSA-N 2 1 280.437 2.339 20 0 CEADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+](C1CC1)C1CCCC1 ZINC000903722688 635236485 /nfs/dbraw/zinc/23/64/85/635236485.db2.gz DDAJLUZDQAFRFZ-HOTGVXAUSA-N 2 1 264.413 2.162 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903728402 635239664 /nfs/dbraw/zinc/23/96/64/635239664.db2.gz ALEIMFOEHGJXLF-XAJHFOFHSA-N 2 1 278.440 2.408 20 0 CEADMP CCS[C@@H]1CCCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903729531 635241116 /nfs/dbraw/zinc/24/11/16/635241116.db2.gz OAMKAJFIROGYRN-OAGGEKHMSA-N 2 1 298.496 2.363 20 0 CEADMP CC(C)[C@@H]1CCCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729684 635241238 /nfs/dbraw/zinc/24/12/38/635241238.db2.gz QMMDYOTXFKNVDM-PMPSAXMXSA-N 2 1 266.429 2.266 20 0 CEADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC2(CCC2)C1 ZINC000903730362 635242407 /nfs/dbraw/zinc/24/24/07/635242407.db2.gz VXIYMACTLBJEFV-CQSZACIVSA-N 2 1 264.413 2.021 20 0 CEADMP c1csc(N2CCC[N@H+](C[C@H]3CCCC[NH2+]C3)CC2)n1 ZINC000903737211 635251573 /nfs/dbraw/zinc/25/15/73/635251573.db2.gz QVVGDHXPPRROCT-AWEZNQCLSA-N 2 1 294.468 2.045 20 0 CEADMP c1csc(N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC000903740333 635252989 /nfs/dbraw/zinc/25/29/89/635252989.db2.gz GPGXAWROBUTNOP-CQSZACIVSA-N 2 1 279.453 2.260 20 0 CEADMP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000903740594 635253008 /nfs/dbraw/zinc/25/30/08/635253008.db2.gz XMUXCPINFLIUID-SJORKVTESA-N 3 1 279.472 2.326 20 0 CEADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000903740594 635253014 /nfs/dbraw/zinc/25/30/14/635253014.db2.gz XMUXCPINFLIUID-SJORKVTESA-N 3 1 279.472 2.326 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@H]2CCCC[NH2+]C2)[C@H](C)C1 ZINC000903739178 635253152 /nfs/dbraw/zinc/25/31/52/635253152.db2.gz DMGGYFQIBKZQLT-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP C[N@@H+](CCC(C)(C)C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903764278 635256924 /nfs/dbraw/zinc/25/69/24/635256924.db2.gz QVCSEOBMIPYWOZ-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000903781259 635267376 /nfs/dbraw/zinc/26/73/76/635267376.db2.gz OYQJVMHHVMTEFV-UPJWGTAASA-N 2 1 294.361 2.418 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000903781259 635267383 /nfs/dbraw/zinc/26/73/83/635267383.db2.gz OYQJVMHHVMTEFV-UPJWGTAASA-N 2 1 294.361 2.418 20 0 CEADMP CC(C)CCOCC[N@@H+]1CCC[C@H]2CC[C@@]21CN ZINC000903798632 635275794 /nfs/dbraw/zinc/27/57/94/635275794.db2.gz OIOAPOUUOHNQQO-LSDHHAIUSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC[C@H]2CC[C@@]21CN ZINC000903798632 635275800 /nfs/dbraw/zinc/27/58/00/635275800.db2.gz OIOAPOUUOHNQQO-LSDHHAIUSA-N 2 1 254.418 2.252 20 0 CEADMP Cn1c2ccccc2nc1CC[N@@H+]1CCC[C@H]2CC[C@]21CN ZINC000903798611 635276175 /nfs/dbraw/zinc/27/61/75/635276175.db2.gz OCONAAOOHCPGBR-KSSFIOAISA-N 2 1 298.434 2.319 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@H]2CC[C@]21CN ZINC000903798611 635276181 /nfs/dbraw/zinc/27/61/81/635276181.db2.gz OCONAAOOHCPGBR-KSSFIOAISA-N 2 1 298.434 2.319 20 0 CEADMP CO[C@H](C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+])C1CCCC1 ZINC000903803464 635279385 /nfs/dbraw/zinc/27/93/85/635279385.db2.gz YIEFOTCGNGSZMS-ARFHVFGLSA-N 2 1 266.429 2.395 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+])C1CCCC1 ZINC000903803464 635279389 /nfs/dbraw/zinc/27/93/89/635279389.db2.gz YIEFOTCGNGSZMS-ARFHVFGLSA-N 2 1 266.429 2.395 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000903808726 635283618 /nfs/dbraw/zinc/28/36/18/635283618.db2.gz SBPFSYBNXLQLNM-UHFFFAOYSA-N 2 1 292.423 2.122 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000903808726 635283627 /nfs/dbraw/zinc/28/36/27/635283627.db2.gz SBPFSYBNXLQLNM-UHFFFAOYSA-N 2 1 292.423 2.122 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@H]2C[C@]23CCOC3)CCC1 ZINC000903811233 635284483 /nfs/dbraw/zinc/28/44/83/635284483.db2.gz KFXBLSDDNIARKK-VYDXJSESSA-N 2 1 278.440 2.397 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)CCC1 ZINC000903812135 635286518 /nfs/dbraw/zinc/28/65/18/635286518.db2.gz QSSNJHDOXGVHGC-QLFBSQMISA-N 3 1 265.445 2.097 20 0 CEADMP NCC1([C@H]2CCCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)CCC1 ZINC000903812135 635286521 /nfs/dbraw/zinc/28/65/21/635286521.db2.gz QSSNJHDOXGVHGC-QLFBSQMISA-N 2 1 265.445 2.097 20 0 CEADMP NCC1([C@H]2CCCC[N@H+]2C[C@@H]2CC[C@H]([NH3+])C2)CCC1 ZINC000903812135 635286525 /nfs/dbraw/zinc/28/65/25/635286525.db2.gz QSSNJHDOXGVHGC-QLFBSQMISA-N 2 1 265.445 2.097 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1ccsc1)C2 ZINC000903841799 635299809 /nfs/dbraw/zinc/29/98/09/635299809.db2.gz GGNCXAXRVCUXIX-MJBXVCDLSA-N 2 1 250.411 2.492 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccn(-c3ccccc3)n1)C2 ZINC000903845289 635302693 /nfs/dbraw/zinc/30/26/93/635302693.db2.gz GZWQIPCMOXGHFN-VBQJREDUSA-N 2 1 282.391 2.184 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccn(-c3ccccc3)n1)C2 ZINC000903845289 635302699 /nfs/dbraw/zinc/30/26/99/635302699.db2.gz GZWQIPCMOXGHFN-VBQJREDUSA-N 2 1 282.391 2.184 20 0 CEADMP COc1ccc(CC[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903855899 635306388 /nfs/dbraw/zinc/30/63/88/635306388.db2.gz QAIBMQJNWMEKEQ-GOEBONIOSA-N 2 1 260.381 2.051 20 0 CEADMP COc1ccc(CC[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903855899 635306394 /nfs/dbraw/zinc/30/63/94/635306394.db2.gz QAIBMQJNWMEKEQ-GOEBONIOSA-N 2 1 260.381 2.051 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C3CC3)nn2C)[C@@H](C)C1 ZINC000823938456 635309679 /nfs/dbraw/zinc/30/96/79/635309679.db2.gz ZINGQIAAMZIAOQ-SWLSCSKDSA-N 2 1 276.428 2.117 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C3CC3)nn2C)[C@@H](C)C1 ZINC000823938456 635309683 /nfs/dbraw/zinc/30/96/83/635309683.db2.gz ZINGQIAAMZIAOQ-SWLSCSKDSA-N 2 1 276.428 2.117 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3CC[C@@]32C[NH3+])c1C ZINC000903858813 635310798 /nfs/dbraw/zinc/31/07/98/635310798.db2.gz ZSVSWNOAPZTNKT-XJKSGUPXSA-N 2 1 275.396 2.020 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCCC[C@H](N2CCCC2)C1 ZINC000903888407 635315241 /nfs/dbraw/zinc/31/52/41/635315241.db2.gz BDKJTPLAGDTDOV-FBVQUNGASA-N 2 1 291.483 2.467 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000903888407 635315247 /nfs/dbraw/zinc/31/52/47/635315247.db2.gz BDKJTPLAGDTDOV-FBVQUNGASA-N 2 1 291.483 2.467 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903876793 635323783 /nfs/dbraw/zinc/32/37/83/635323783.db2.gz ISZVPBOPQWWXTJ-GOEBONIOSA-N 2 1 299.422 2.396 20 0 CEADMP C[C@@H](c1ccccc1)[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903876793 635323791 /nfs/dbraw/zinc/32/37/91/635323791.db2.gz ISZVPBOPQWWXTJ-GOEBONIOSA-N 2 1 299.422 2.396 20 0 CEADMP C[C@@H]([N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000903883931 635326327 /nfs/dbraw/zinc/32/63/27/635326327.db2.gz MKVPKWWQCQWDBR-OLZOCXBDSA-N 2 1 279.432 2.069 20 0 CEADMP CC1(C)CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903895024 635330304 /nfs/dbraw/zinc/33/03/04/635330304.db2.gz JPOMCRJKMUFRLJ-CQSZACIVSA-N 2 1 291.443 2.215 20 0 CEADMP CN(C)CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000903906264 635340632 /nfs/dbraw/zinc/34/06/32/635340632.db2.gz UQXSWBJDUAJFTJ-MQVJKMGUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903909246 635343465 /nfs/dbraw/zinc/34/34/65/635343465.db2.gz SCJZVYMKFXIGID-RHSMWYFYSA-N 2 1 288.435 2.458 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](CC2CC2)C2CCC2)cnn1C ZINC000903909713 635344498 /nfs/dbraw/zinc/34/44/98/635344498.db2.gz XOPRUMXYFCYTGH-HNNXBMFYSA-N 2 1 290.455 2.110 20 0 CEADMP CCCCN1CCC([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903923277 635351033 /nfs/dbraw/zinc/35/10/33/635351033.db2.gz PUDXBZGJTACMCG-ZXFUBFMLSA-N 2 1 279.472 2.371 20 0 CEADMP CC(C)(CO)[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903926307 635353681 /nfs/dbraw/zinc/35/36/81/635353681.db2.gz KMXVZOCPTURBMN-OCCSQVGLSA-N 2 1 286.366 2.318 20 0 CEADMP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903917254 635364625 /nfs/dbraw/zinc/36/46/25/635364625.db2.gz XQQKWRRWHZZLLX-BARDWOONSA-N 2 1 291.443 2.069 20 0 CEADMP CC(C)(C)[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1O ZINC000903916594 635365075 /nfs/dbraw/zinc/36/50/75/635365075.db2.gz TYLBIYCMAXSKAK-WFDRTZIDSA-N 2 1 280.456 2.246 20 0 CEADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1scnc1C1CC1 ZINC000903958248 635368506 /nfs/dbraw/zinc/36/85/06/635368506.db2.gz XTOVLECEEAGRPA-SNVBAGLBSA-N 2 1 287.379 2.355 20 0 CEADMP CCN(C)c1ccc(C[NH+]2CCC([NH3+])(CC)CC2)cn1 ZINC000903945987 635377335 /nfs/dbraw/zinc/37/73/35/635377335.db2.gz CEYKVCUOJMAOHP-UHFFFAOYSA-N 2 1 276.428 2.241 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1cc(N)cc[nH+]1 ZINC000903949759 635381938 /nfs/dbraw/zinc/38/19/38/635381938.db2.gz DPFLIDUDZNMSOV-KSSFIOAISA-N 2 1 296.418 2.274 20 0 CEADMP Cc1ccc(F)cc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955654 635389647 /nfs/dbraw/zinc/38/96/47/635389647.db2.gz YIVOEBPBPCXWCF-GFCCVEGCSA-N 2 1 272.314 2.469 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000903975272 635393832 /nfs/dbraw/zinc/39/38/32/635393832.db2.gz ZBQIZPFVEUNPNX-RBSFLKMASA-N 2 1 266.429 2.313 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)C[C@H]1CC[NH3+] ZINC000903976861 635394509 /nfs/dbraw/zinc/39/45/09/635394509.db2.gz FHNFZNOVKNXKSL-GDBMZVCRSA-N 2 1 288.439 2.099 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CC[NH2+]C1 ZINC000903979124 635396241 /nfs/dbraw/zinc/39/62/41/635396241.db2.gz WDSMEBWRCRRGIF-WDEREUQCSA-N 2 1 280.309 2.352 20 0 CEADMP CC(C)C[C@H](C)C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969296 635400624 /nfs/dbraw/zinc/40/06/24/635400624.db2.gz FEJSXGKWHLFXLM-GJZGRUSLSA-N 2 1 268.445 2.417 20 0 CEADMP C[NH2+]CCC1CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904301351 635553606 /nfs/dbraw/zinc/55/36/06/635553606.db2.gz LBEUCUXCEIZGTG-HNNXBMFYSA-N 3 1 269.477 2.462 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(CCO)CC1 ZINC000904307867 635559056 /nfs/dbraw/zinc/55/90/56/635559056.db2.gz XTAKNLQDHHRUEN-AWEZNQCLSA-N 2 1 256.434 2.234 20 0 CEADMP C[N@@H+](C[C@]1(C)CCC[NH2+]C1)C1Cc2ccccc2C1 ZINC000904336440 635578649 /nfs/dbraw/zinc/57/86/49/635578649.db2.gz QBBQJZWCSVQBAQ-QGZVFWFLSA-N 2 1 258.409 2.475 20 0 CEADMP C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904371183 635592342 /nfs/dbraw/zinc/59/23/42/635592342.db2.gz KOOWJQVJISGODN-CORIIIEPSA-N 2 1 250.361 2.426 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]([NH3+])CCC(C)(C)C)CC[C@H]21 ZINC000904385384 635607264 /nfs/dbraw/zinc/60/72/64/635607264.db2.gz XBKLCWVUMNCXNA-QLFBSQMISA-N 2 1 267.461 2.166 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000904405291 635612111 /nfs/dbraw/zinc/61/21/11/635612111.db2.gz KEWVEBNELNDOCQ-GFCCVEGCSA-N 2 1 274.368 2.149 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000904406908 635613662 /nfs/dbraw/zinc/61/36/62/635613662.db2.gz WRSIPXOPDHBGKC-ZDUSSCGKSA-N 2 1 288.370 2.182 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc3c(s2)CCCC3)CC[C@H]1C[NH3+] ZINC000904410340 635617182 /nfs/dbraw/zinc/61/71/82/635617182.db2.gz FCRRBBFNWOYWQF-NEPJUHHUSA-N 2 1 279.453 2.439 20 0 CEADMP Fc1ccc(/C=C\C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420320 635631170 /nfs/dbraw/zinc/63/11/70/635631170.db2.gz KMJUTHJMTQFSTQ-JYDNDBSZSA-N 2 1 260.356 2.380 20 0 CEADMP c1nc(C2CC2)sc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420329 635631352 /nfs/dbraw/zinc/63/13/52/635631352.db2.gz KPWIWVWLHZUVBM-NWDGAFQWSA-N 2 1 263.410 2.062 20 0 CEADMP c1nc(C2CC2)sc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420329 635631355 /nfs/dbraw/zinc/63/13/55/635631355.db2.gz KPWIWVWLHZUVBM-NWDGAFQWSA-N 2 1 263.410 2.062 20 0 CEADMP CC1(C)C[NH2+]C[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000904460557 635644848 /nfs/dbraw/zinc/64/48/48/635644848.db2.gz AASBKPRUEOGQEQ-SWLSCSKDSA-N 2 1 260.381 2.140 20 0 CEADMP Cc1cccc([C@@H](O)CN[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000905103658 635816814 /nfs/dbraw/zinc/81/68/14/635816814.db2.gz ZIONXBOKBIRNTH-SJORKVTESA-N 2 1 274.408 2.102 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000905335284 636236710 /nfs/dbraw/zinc/23/67/10/636236710.db2.gz GCDXRAWGUSGXQC-INIZCTEOSA-N 2 1 295.471 2.101 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000906105097 636603411 /nfs/dbraw/zinc/60/34/11/636603411.db2.gz WLNZOVYGMMXGGI-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000906174024 636636660 /nfs/dbraw/zinc/63/66/60/636636660.db2.gz VPUMULCWOVDMNJ-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000906434288 636732422 /nfs/dbraw/zinc/73/24/22/636732422.db2.gz DFIOZMUSSXGUJV-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)c1[nH+]ccn1CCNC(=O)CCCCCC[NH3+] ZINC000828965274 636738785 /nfs/dbraw/zinc/73/87/85/636738785.db2.gz HVULEQPYSLZKOU-UHFFFAOYSA-N 2 1 280.416 2.032 20 0 CEADMP CCOc1c(Cl)cc(C[NH2+]C2CC([NH3+])C2)cc1OC ZINC000906508798 636760091 /nfs/dbraw/zinc/76/00/91/636760091.db2.gz ZYTCLXZSRNXLGL-UHFFFAOYSA-N 2 1 284.787 2.327 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)C)C1 ZINC000906564934 636791403 /nfs/dbraw/zinc/79/14/03/636791403.db2.gz BXJBNXSEZUBTNI-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H](c1csnn1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000829443715 636849179 /nfs/dbraw/zinc/84/91/79/636849179.db2.gz BGDLNZWCLRHFLW-GFCCVEGCSA-N 2 1 280.441 2.407 20 0 CEADMP C[C@H](c1csnn1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000829443715 636849184 /nfs/dbraw/zinc/84/91/84/636849184.db2.gz BGDLNZWCLRHFLW-GFCCVEGCSA-N 2 1 280.441 2.407 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000908303303 637296298 /nfs/dbraw/zinc/29/62/98/637296298.db2.gz NOWJVAWYVPGRCM-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908303303 637296299 /nfs/dbraw/zinc/29/62/99/637296299.db2.gz NOWJVAWYVPGRCM-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908303303 637296302 /nfs/dbraw/zinc/29/63/02/637296302.db2.gz NOWJVAWYVPGRCM-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP COc1cnc(F)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000876576028 650339985 /nfs/dbraw/zinc/33/99/85/650339985.db2.gz BVUDBZIOPVUHAL-UHFFFAOYSA-N 2 1 281.375 2.003 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000834475365 637841499 /nfs/dbraw/zinc/84/14/99/637841499.db2.gz QVNOCSVMZYZUJM-INIZCTEOSA-N 2 1 283.460 2.004 20 0 CEADMP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000912648958 638753353 /nfs/dbraw/zinc/75/33/53/638753353.db2.gz MHQINOJISSZZLW-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)CCc1cnc[nH]1 ZINC000912648521 638753853 /nfs/dbraw/zinc/75/38/53/638753853.db2.gz BRNILJNGGSDVEI-DZGCQCFKSA-N 2 1 292.427 2.064 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSCCS2)[C@H](C)C1 ZINC000165734170 639437660 /nfs/dbraw/zinc/43/76/60/639437660.db2.gz NJTCLXADPWMWCO-UPJWGTAASA-N 2 1 274.499 2.155 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)n(C)n1 ZINC000840810037 639548689 /nfs/dbraw/zinc/54/86/89/639548689.db2.gz NSFYUESVHHRLDB-KBPBESRZSA-N 2 1 264.417 2.111 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CC[NH2+]1 ZINC000841022912 639619419 /nfs/dbraw/zinc/61/94/19/639619419.db2.gz RXJFGCSEUHEESM-HOTGVXAUSA-N 3 1 279.472 2.182 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@@H]21 ZINC000230045361 639728910 /nfs/dbraw/zinc/72/89/10/639728910.db2.gz ZMIQAEGRNAWSAP-UHOFOFEASA-N 2 1 278.371 2.264 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(Cl)c1N ZINC000876992041 650522749 /nfs/dbraw/zinc/52/27/49/650522749.db2.gz YLKTZPXWFYXRCO-UHFFFAOYSA-N 2 1 264.760 2.217 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000173744914 639874622 /nfs/dbraw/zinc/87/46/22/639874622.db2.gz KRLOAGYCLSMRGU-NVXWUHKLSA-N 2 1 276.424 2.220 20 0 CEADMP C[N@@H+](CCCCCCCO)C[C@H]1CCC[NH+](C)C1 ZINC000173792237 639877971 /nfs/dbraw/zinc/87/79/71/639877971.db2.gz JSJGWUPFFZGNOT-OAHLLOKOSA-N 2 1 256.434 2.203 20 0 CEADMP C[NH+](CCCCCCCO)C[C@H]1CCC[N@H+](C)C1 ZINC000173792237 639877976 /nfs/dbraw/zinc/87/79/76/639877976.db2.gz JSJGWUPFFZGNOT-OAHLLOKOSA-N 2 1 256.434 2.203 20 0 CEADMP C[NH+](CCCCCCCO)C[C@H]1CCC[N@@H+](C)C1 ZINC000173792237 639877982 /nfs/dbraw/zinc/87/79/82/639877982.db2.gz JSJGWUPFFZGNOT-OAHLLOKOSA-N 2 1 256.434 2.203 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2N)C1 ZINC000877026972 650537318 /nfs/dbraw/zinc/53/73/18/650537318.db2.gz IEYFRISWZQLHGB-NSHDSACASA-N 2 1 267.804 2.354 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2N)C1 ZINC000877026972 650537320 /nfs/dbraw/zinc/53/73/20/650537320.db2.gz IEYFRISWZQLHGB-NSHDSACASA-N 2 1 267.804 2.354 20 0 CEADMP c1ccc([C@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000842476264 640075134 /nfs/dbraw/zinc/07/51/34/640075134.db2.gz KKDAYTSKLXRFSR-GJZGRUSLSA-N 2 1 259.397 2.261 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000842476216 640075559 /nfs/dbraw/zinc/07/55/59/640075559.db2.gz JHKUFBNGPWCSAS-LSDHHAIUSA-N 2 1 297.487 2.439 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000842476739 640076535 /nfs/dbraw/zinc/07/65/35/640076535.db2.gz UIVOUPSEAPUSTM-UONOGXRCSA-N 2 1 283.460 2.049 20 0 CEADMP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842677997 640146927 /nfs/dbraw/zinc/14/69/27/640146927.db2.gz QDYIHHLZTWCBIB-MSOLQXFVSA-N 2 1 299.462 2.477 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842677997 640146928 /nfs/dbraw/zinc/14/69/28/640146928.db2.gz QDYIHHLZTWCBIB-MSOLQXFVSA-N 2 1 299.462 2.477 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842677997 640146931 /nfs/dbraw/zinc/14/69/31/640146931.db2.gz QDYIHHLZTWCBIB-MSOLQXFVSA-N 2 1 299.462 2.477 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842677997 640146933 /nfs/dbraw/zinc/14/69/33/640146933.db2.gz QDYIHHLZTWCBIB-MSOLQXFVSA-N 2 1 299.462 2.477 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2N)C1 ZINC000877074087 650560453 /nfs/dbraw/zinc/56/04/53/650560453.db2.gz ZDDVMPFPTVNARB-OLZOCXBDSA-N 2 1 265.376 2.370 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000843047875 640252759 /nfs/dbraw/zinc/25/27/59/640252759.db2.gz ZRXLOXMORORGSP-ZDUSSCGKSA-N 2 1 255.365 2.406 20 0 CEADMP Cc1ccc2c(C[N@@H+](C)C3CC([NH3+])C3)cc(=O)oc2c1C ZINC000843386898 640413790 /nfs/dbraw/zinc/41/37/90/640413790.db2.gz BUIZMRPXHDIMOF-UHFFFAOYSA-N 2 1 286.375 2.331 20 0 CEADMP Cc1ccc2c(C[N@H+](C)C3CC([NH3+])C3)cc(=O)oc2c1C ZINC000843386898 640413794 /nfs/dbraw/zinc/41/37/94/640413794.db2.gz BUIZMRPXHDIMOF-UHFFFAOYSA-N 2 1 286.375 2.331 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)CCCCC[NH3+] ZINC000843486206 640441155 /nfs/dbraw/zinc/44/11/55/640441155.db2.gz AGVMIXZYGYGMKV-UHFFFAOYSA-N 2 1 283.460 2.228 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000844202310 640630886 /nfs/dbraw/zinc/63/08/86/640630886.db2.gz YJRWCRUDJANLHM-HNNXBMFYSA-N 2 1 295.471 2.289 20 0 CEADMP CC[N@@H+](CCCCCCC[NH3+])Cc1cnn(C)c1 ZINC000844222027 640636331 /nfs/dbraw/zinc/63/63/31/640636331.db2.gz QXLAFFCQMRTNKT-UHFFFAOYSA-N 2 1 252.406 2.151 20 0 CEADMP Cn1cncc1CC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844444022 640727097 /nfs/dbraw/zinc/72/70/97/640727097.db2.gz NNXDOLRIJQPULS-GFCCVEGCSA-N 2 1 255.312 2.084 20 0 CEADMP CCC/C=C/C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000920743903 641188146 /nfs/dbraw/zinc/18/81/46/641188146.db2.gz IZXMUXOVWTTXEV-AATRIKPKSA-N 2 1 288.395 2.128 20 0 CEADMP CC(C)COC(=O)N1CCC[N@@H+](CCCCCC[NH3+])CC1 ZINC000846220350 641229368 /nfs/dbraw/zinc/22/93/68/641229368.db2.gz GRPQACFPCDIVTR-UHFFFAOYSA-N 2 1 299.459 2.306 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000846221484 641230923 /nfs/dbraw/zinc/23/09/23/641230923.db2.gz ZCJYFDJTYQLLKO-CQSZACIVSA-N 2 1 291.443 2.381 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000846221484 641230927 /nfs/dbraw/zinc/23/09/27/641230927.db2.gz ZCJYFDJTYQLLKO-CQSZACIVSA-N 2 1 291.443 2.381 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000846221484 641230931 /nfs/dbraw/zinc/23/09/31/641230931.db2.gz ZCJYFDJTYQLLKO-CQSZACIVSA-N 2 1 291.443 2.381 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000846222553 641231566 /nfs/dbraw/zinc/23/15/66/641231566.db2.gz GJVBCMCUAVIFJP-CABCVRRESA-N 2 1 254.418 2.397 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000846695153 641398125 /nfs/dbraw/zinc/39/81/25/641398125.db2.gz SQSLBEJLGHZZGM-JKSUJKDBSA-N 2 1 297.487 2.474 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000846890289 641471123 /nfs/dbraw/zinc/47/11/23/641471123.db2.gz FXUMNHPXZSITTE-UHFFFAOYSA-N 2 1 290.455 2.161 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000846890289 641471132 /nfs/dbraw/zinc/47/11/32/641471132.db2.gz FXUMNHPXZSITTE-UHFFFAOYSA-N 3 1 290.455 2.161 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000846890289 641471140 /nfs/dbraw/zinc/47/11/40/641471140.db2.gz FXUMNHPXZSITTE-UHFFFAOYSA-N 3 1 290.455 2.161 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000252689267 641581645 /nfs/dbraw/zinc/58/16/45/641581645.db2.gz QRLRRDYAEGCSIU-UONOGXRCSA-N 2 1 278.396 2.132 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000252689267 641581652 /nfs/dbraw/zinc/58/16/52/641581652.db2.gz QRLRRDYAEGCSIU-UONOGXRCSA-N 2 1 278.396 2.132 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000070170911 641640576 /nfs/dbraw/zinc/64/05/76/641640576.db2.gz USVKNYPPIUIOAF-NSHDSACASA-N 2 1 253.777 2.296 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000070173999 641641886 /nfs/dbraw/zinc/64/18/86/641641886.db2.gz JMSZCJQTMOVQRD-ZBFHGGJFSA-N 3 1 284.407 2.432 20 0 CEADMP C(CC1CCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848532522 642038879 /nfs/dbraw/zinc/03/88/79/642038879.db2.gz BDJRVKWGJXVTQH-OAHLLOKOSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(Cl)n1C ZINC000848532704 642039120 /nfs/dbraw/zinc/03/91/20/642039120.db2.gz DKRJWOQQTQMJRE-JTQLQIEISA-N 2 1 281.791 2.004 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(Cl)n1C ZINC000848532708 642039706 /nfs/dbraw/zinc/03/97/06/642039706.db2.gz DKRJWOQQTQMJRE-SNVBAGLBSA-N 2 1 281.791 2.004 20 0 CEADMP CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995798911 642075167 /nfs/dbraw/zinc/07/51/67/642075167.db2.gz QGYMCVXZLPDZBT-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC000996378964 642103878 /nfs/dbraw/zinc/10/38/78/642103878.db2.gz IXAMHHVAPDNJPC-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CCOCCCNC(=[NH2+])NCCCC[N@H+]1CCCC[C@H]1C ZINC000848989284 642211406 /nfs/dbraw/zinc/21/14/06/642211406.db2.gz LHDHZJNMOAQTOY-OAHLLOKOSA-N 2 1 298.475 2.182 20 0 CEADMP C[C@@H](CNC(=[NH2+])NC1CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000848993484 642213724 /nfs/dbraw/zinc/21/37/24/642213724.db2.gz YSPPIQKQXKOLKJ-ZDUSSCGKSA-N 2 1 286.423 2.100 20 0 CEADMP C[C@@H](CNC(=[NH2+])NC1CCC1)[N@H+]1CCc2ccccc2C1 ZINC000848993484 642213725 /nfs/dbraw/zinc/21/37/25/642213725.db2.gz YSPPIQKQXKOLKJ-ZDUSSCGKSA-N 2 1 286.423 2.100 20 0 CEADMP c1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n(C2CCC2)n1 ZINC000921545836 642220068 /nfs/dbraw/zinc/22/00/68/642220068.db2.gz ATZHGZHFRMKDFM-UKRRQHHQSA-N 2 1 274.412 2.325 20 0 CEADMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000849005347 642222003 /nfs/dbraw/zinc/22/20/03/642222003.db2.gz LECLEAMPSLAFLS-JTQLQIEISA-N 2 1 282.338 2.243 20 0 CEADMP O=c1[nH]c2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2o1 ZINC000921550850 642231060 /nfs/dbraw/zinc/23/10/60/642231060.db2.gz VGXXBJBBQXDQNA-QWHCGFSZSA-N 2 1 287.363 2.250 20 0 CEADMP O=c1[nH]c2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2o1 ZINC000921550850 642231064 /nfs/dbraw/zinc/23/10/64/642231064.db2.gz VGXXBJBBQXDQNA-QWHCGFSZSA-N 2 1 287.363 2.250 20 0 CEADMP C[C@H]1CCCN(C(=[NH2+])NCCCC[N@@H+](C)C2CC2)C1 ZINC000849039630 642250610 /nfs/dbraw/zinc/25/06/10/642250610.db2.gz KSCFBSWTZCJJBS-ZDUSSCGKSA-N 2 1 266.433 2.117 20 0 CEADMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])NCCc2cccs2)C1 ZINC000849041082 642251748 /nfs/dbraw/zinc/25/17/48/642251748.db2.gz JVNVXYAAJNWCDW-CYBMUJFWSA-N 2 1 294.468 2.136 20 0 CEADMP CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997588536 642310398 /nfs/dbraw/zinc/31/03/98/642310398.db2.gz XJDAENZGXJIEAZ-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000999507073 642492965 /nfs/dbraw/zinc/49/29/65/642492965.db2.gz VXQCPKLKESTCAE-GPANFISMSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000999575983 642499470 /nfs/dbraw/zinc/49/94/70/642499470.db2.gz SLRDDZXJDYIXQD-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000999971539 642524356 /nfs/dbraw/zinc/52/43/56/642524356.db2.gz BKTYZMZGEMNVNY-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cc2c(cc[nH]c2=O)o1 ZINC000877532611 650772248 /nfs/dbraw/zinc/77/22/48/650772248.db2.gz VRYJVGJYKFXLNN-RISCZKNCSA-N 2 1 289.379 2.305 20 0 CEADMP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000850382091 642691814 /nfs/dbraw/zinc/69/18/14/642691814.db2.gz MYQHVEZLZVLDMC-LBPRGKRZSA-N 2 1 253.415 2.483 20 0 CEADMP CC1(C)[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)[C@@H]2CCC[C@@H]21 ZINC000850433388 642711937 /nfs/dbraw/zinc/71/19/37/642711937.db2.gz LXJJCHYZRQYFJU-ARKGTOAJSA-N 2 1 278.440 2.264 20 0 CEADMP CC1(C)[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)[C@@H]2CCC[C@@H]21 ZINC000850433388 642711943 /nfs/dbraw/zinc/71/19/43/642711943.db2.gz LXJJCHYZRQYFJU-ARKGTOAJSA-N 2 1 278.440 2.264 20 0 CEADMP COC(CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000851926739 643228612 /nfs/dbraw/zinc/22/86/12/643228612.db2.gz WQXLFFDHCYJJAW-KGLIPLIRSA-N 2 1 284.444 2.238 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1)C[NH+](C)C ZINC000922754707 643244630 /nfs/dbraw/zinc/24/46/30/643244630.db2.gz SIRZDCXTBAHAGE-BBRMVZONSA-N 2 1 282.403 2.313 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)C[NH+](C)C ZINC000922756276 643247163 /nfs/dbraw/zinc/24/71/63/643247163.db2.gz NPJYMFQHGJRXPR-KFWWJZLASA-N 2 1 286.460 2.136 20 0 CEADMP CCc1nc([C@H](C)N2CCCC3(CC[NH+](C)CC3)C2)n[nH]1 ZINC000852007029 643262537 /nfs/dbraw/zinc/26/25/37/643262537.db2.gz IYAVWMYELGHLFE-ZDUSSCGKSA-N 2 1 291.443 2.236 20 0 CEADMP CCc1nnc([C@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)[nH]1 ZINC000852007029 643262542 /nfs/dbraw/zinc/26/25/42/643262542.db2.gz IYAVWMYELGHLFE-ZDUSSCGKSA-N 2 1 291.443 2.236 20 0 CEADMP CCc1nnc([C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)[nH]1 ZINC000852007029 643262546 /nfs/dbraw/zinc/26/25/46/643262546.db2.gz IYAVWMYELGHLFE-ZDUSSCGKSA-N 2 1 291.443 2.236 20 0 CEADMP C[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCO1 ZINC000922818770 643281669 /nfs/dbraw/zinc/28/16/69/643281669.db2.gz YTGICJBZEYXJAK-RRFJBIMHSA-N 2 1 252.402 2.162 20 0 CEADMP CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC)CC1)[NH+](C)C ZINC001004475942 643310975 /nfs/dbraw/zinc/31/09/75/643310975.db2.gz VTHLXMFWIGYSLE-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP COCC[N@H+](Cc1scnc1C)CC1CC[NH+](C)CC1 ZINC000877665294 650840950 /nfs/dbraw/zinc/84/09/50/650840950.db2.gz PPCSUOGHCGZGMO-UHFFFAOYSA-N 2 1 297.468 2.242 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852563823 643474203 /nfs/dbraw/zinc/47/42/03/643474203.db2.gz CJTAZWOBIKSSIY-RHSMWYFYSA-N 2 1 284.407 2.359 20 0 CEADMP CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852754368 643537517 /nfs/dbraw/zinc/53/75/17/643537517.db2.gz UKQMTSLSKIJFSA-GOEBONIOSA-N 2 1 296.455 2.430 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCCC[NH3+])[C@@H]1CCC[NH3+] ZINC000852758889 643540583 /nfs/dbraw/zinc/54/05/83/643540583.db2.gz GQYFMJCYOMSJJL-HUUCEWRRSA-N 3 1 255.450 2.345 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCOc2ccc(O)cc2C1 ZINC000852761565 643542456 /nfs/dbraw/zinc/54/24/56/643542456.db2.gz XGYXBOSGESZLQI-UHFFFAOYSA-N 2 1 278.396 2.496 20 0 CEADMP [NH3+]CCCCCCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000852899953 643593800 /nfs/dbraw/zinc/59/38/00/643593800.db2.gz PFBZHJRGRKHJQB-HUUCEWRRSA-N 2 1 281.444 2.029 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H](O)Cc1ccc2ccccc2c1 ZINC000923291061 643644007 /nfs/dbraw/zinc/64/40/07/643644007.db2.gz APBZVWPGXVDNPD-QZTJIDSGSA-N 2 1 284.403 2.166 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@H](O)Cc1ccc2ccccc2c1 ZINC000923291061 643644011 /nfs/dbraw/zinc/64/40/11/643644011.db2.gz APBZVWPGXVDNPD-QZTJIDSGSA-N 2 1 284.403 2.166 20 0 CEADMP Cc1cccc(OC[C@@H](O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000923299023 643644519 /nfs/dbraw/zinc/64/45/19/643644519.db2.gz WHOSEEWOFWURFU-RDJZCZTQSA-N 2 1 294.439 2.040 20 0 CEADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCCc2ccccc21 ZINC000923297801 643648092 /nfs/dbraw/zinc/64/80/92/643648092.db2.gz JWXVKPHJWLGJBT-RDJZCZTQSA-N 2 1 286.419 2.374 20 0 CEADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000923303291 643650214 /nfs/dbraw/zinc/65/02/14/643650214.db2.gz BMKHURAYQQSNIF-HOTGVXAUSA-N 2 1 278.440 2.410 20 0 CEADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923313919 643653253 /nfs/dbraw/zinc/65/32/53/643653253.db2.gz MRBGGRGLOBMLJY-GJZGRUSLSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)C[C@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923316446 643656514 /nfs/dbraw/zinc/65/65/14/643656514.db2.gz JNOYJTRQUWWSBR-HUUCEWRRSA-N 2 1 266.429 2.123 20 0 CEADMP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccccn1 ZINC000853103283 643656766 /nfs/dbraw/zinc/65/67/66/643656766.db2.gz WBKIXNSVEWBMSB-KRWDZBQOSA-N 2 1 289.423 2.112 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923329525 643661087 /nfs/dbraw/zinc/66/10/87/643661087.db2.gz VLXQIXAWHGGBLX-JYJNAYRXSA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCC[NH2+]C1CC1 ZINC000923327226 643664408 /nfs/dbraw/zinc/66/44/08/643664408.db2.gz QUOMLIFHKCXWQM-CVEARBPZSA-N 2 1 265.445 2.077 20 0 CEADMP CC[N@@H+](C[C@H](O)c1ccc(F)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000923334328 643667072 /nfs/dbraw/zinc/66/70/72/643667072.db2.gz CBVNDNTZENIGRK-CJNGLKHVSA-N 2 1 298.377 2.462 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000923354662 643677857 /nfs/dbraw/zinc/67/78/57/643677857.db2.gz CWDGUHQTSUBOFG-DLBZAZTESA-N 2 1 274.408 2.104 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923354907 643678185 /nfs/dbraw/zinc/67/81/85/643678185.db2.gz WXACWDKPWKHKNI-UYTSQGDYSA-N 2 1 265.445 2.110 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923364296 643679719 /nfs/dbraw/zinc/67/97/19/643679719.db2.gz LZJHXAXGTUVZPJ-BBWFWOEESA-N 2 1 280.456 2.392 20 0 CEADMP C(C[N@H+]1CCOC[C@H]1C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923373514 643684052 /nfs/dbraw/zinc/68/40/52/643684052.db2.gz QKHLJXITGZOOHY-WDVRLDOZSA-N 2 1 264.413 2.018 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000923374825 643685367 /nfs/dbraw/zinc/68/53/67/643685367.db2.gz CXFTXAHJMAPWRK-ZNMIVQPWSA-N 2 1 256.434 2.234 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@@H](O)c1ccccc1)CC[NH2+]CC2 ZINC000923382145 643688334 /nfs/dbraw/zinc/68/83/34/643688334.db2.gz AKRSMWQDGUCJLO-GDBMZVCRSA-N 2 1 274.408 2.184 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000923389898 643689704 /nfs/dbraw/zinc/68/97/04/643689704.db2.gz ZZEMWJSCJPXAIE-SOUVJXGZSA-N 2 1 256.434 2.233 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000923387249 643692849 /nfs/dbraw/zinc/69/28/49/643692849.db2.gz HWABMHGUOLVENS-JYJNAYRXSA-N 2 1 268.445 2.379 20 0 CEADMP CO[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)[C@](C)(C[NH3+])C1 ZINC000923410444 643699591 /nfs/dbraw/zinc/69/95/91/643699591.db2.gz HPZFYIPGZGOKRU-CABCVRRESA-N 2 1 266.429 2.395 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H](O)Cc2ccccc2)[C@H]1C ZINC000923421964 643702687 /nfs/dbraw/zinc/70/26/87/643702687.db2.gz FNBPXMWQSMIRJD-YALNPMBYSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H](O)Cc2ccccc2)[C@H]1C ZINC000923421964 643702691 /nfs/dbraw/zinc/70/26/91/643702691.db2.gz FNBPXMWQSMIRJD-YALNPMBYSA-N 2 1 276.424 2.038 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@@H](O)c1ccc(F)cc1 ZINC000923424007 643704136 /nfs/dbraw/zinc/70/41/36/643704136.db2.gz DWCCVVZKNCGFRS-OAHLLOKOSA-N 2 1 268.376 2.310 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](CCc2cccc(F)c2)C[C@H]1C(F)(F)F ZINC000923426764 643706544 /nfs/dbraw/zinc/70/65/44/643706544.db2.gz QKNCUPYJIOESHL-DGCLKSJQSA-N 2 1 290.304 2.437 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCc2cccc(F)c2)C[C@H]1C(F)(F)F ZINC000923426764 643706546 /nfs/dbraw/zinc/70/65/46/643706546.db2.gz QKNCUPYJIOESHL-DGCLKSJQSA-N 2 1 290.304 2.437 20 0 CEADMP CC(C)(C)c1cc2n(n1)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000923439216 643716381 /nfs/dbraw/zinc/71/63/81/643716381.db2.gz GYSODTLJHWRZMQ-CQSZACIVSA-N 2 1 290.455 2.386 20 0 CEADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CCNCC[NH2+]CC1 ZINC000923461445 643724330 /nfs/dbraw/zinc/72/43/30/643724330.db2.gz NKRAWCHHTMPZPU-HNNXBMFYSA-N 2 1 283.419 2.396 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923482232 643731553 /nfs/dbraw/zinc/73/15/53/643731553.db2.gz PNJCEDRHCLPARX-ZDUSSCGKSA-N 2 1 280.437 2.458 20 0 CEADMP CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000923489861 643735273 /nfs/dbraw/zinc/73/52/73/643735273.db2.gz YWYUYTBRTNUEIX-AWEZNQCLSA-N 2 1 289.423 2.419 20 0 CEADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923491043 643735977 /nfs/dbraw/zinc/73/59/77/643735977.db2.gz GZBSGTUXJZDSRB-AWEZNQCLSA-N 2 1 289.423 2.419 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)CO2)CC[C@@H]1C[NH3+] ZINC000923492119 643736364 /nfs/dbraw/zinc/73/63/64/643736364.db2.gz WBXPQANINJSXJD-MCIONIFRSA-N 2 1 254.418 2.108 20 0 CEADMP CC(C)c1noc([C@H](C)[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923502530 643738733 /nfs/dbraw/zinc/73/87/33/643738733.db2.gz ZNSMIDRURXSKSV-GRYCIOLGSA-N 2 1 266.389 2.171 20 0 CEADMP Cc1cccc2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cn21 ZINC000923497453 643739977 /nfs/dbraw/zinc/73/99/77/643739977.db2.gz FKZQAKVLJPGMNA-OCCSQVGLSA-N 2 1 272.396 2.059 20 0 CEADMP CC(C)CCc1noc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923499305 643740924 /nfs/dbraw/zinc/74/09/24/643740924.db2.gz SBJHNBCIQHPWNG-OLZOCXBDSA-N 2 1 280.416 2.075 20 0 CEADMP CC(C)CCc1noc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000923499305 643740928 /nfs/dbraw/zinc/74/09/28/643740928.db2.gz SBJHNBCIQHPWNG-OLZOCXBDSA-N 2 1 280.416 2.075 20 0 CEADMP Fc1ccc(OCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000923516503 643747431 /nfs/dbraw/zinc/74/74/31/643747431.db2.gz IACXDCZQIJYLHK-NWDGAFQWSA-N 2 1 298.789 2.399 20 0 CEADMP Fc1ccc(OCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000923516503 643747433 /nfs/dbraw/zinc/74/74/33/643747433.db2.gz IACXDCZQIJYLHK-NWDGAFQWSA-N 2 1 298.789 2.399 20 0 CEADMP c1ccc(CCOCCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923517320 643748643 /nfs/dbraw/zinc/74/86/43/643748643.db2.gz CFALAGJNZNBPRU-ZWKOTPCHSA-N 2 1 288.435 2.177 20 0 CEADMP Clc1ccc(OCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923521398 643749823 /nfs/dbraw/zinc/74/98/23/643749823.db2.gz QFXKPCOLYQUSJH-QWHCGFSZSA-N 2 1 280.799 2.260 20 0 CEADMP COc1ccccc1CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522524 643752318 /nfs/dbraw/zinc/75/23/18/643752318.db2.gz VXAKHGLOVWFBGI-JKSUJKDBSA-N 2 1 274.408 2.169 20 0 CEADMP c1cc(CCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cs1 ZINC000923522241 643752333 /nfs/dbraw/zinc/75/23/33/643752333.db2.gz QRIZAUIPXSBLPJ-UONOGXRCSA-N 2 1 250.411 2.222 20 0 CEADMP CO[C@@H](C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C1CCC1 ZINC000923532807 643754337 /nfs/dbraw/zinc/75/43/37/643754337.db2.gz HFPBOCAHDQAFAN-LSDHHAIUSA-N 2 1 252.402 2.020 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C1CCC1 ZINC000923532807 643754338 /nfs/dbraw/zinc/75/43/38/643754338.db2.gz HFPBOCAHDQAFAN-LSDHHAIUSA-N 2 1 252.402 2.020 20 0 CEADMP COC(=O)[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000923551157 643761382 /nfs/dbraw/zinc/76/13/82/643761382.db2.gz JXODMIGYNKHYPY-UKRRQHHQSA-N 2 1 282.428 2.040 20 0 CEADMP COC1(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CCCCC1 ZINC000877740225 650882721 /nfs/dbraw/zinc/88/27/21/650882721.db2.gz JCTRZBKVJYDSSX-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP COC1(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CCCCC1 ZINC000877740225 650882724 /nfs/dbraw/zinc/88/27/24/650882724.db2.gz JCTRZBKVJYDSSX-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP COC1(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CCCCC1 ZINC000877740225 650882727 /nfs/dbraw/zinc/88/27/27/650882727.db2.gz JCTRZBKVJYDSSX-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)C3CC3)C2)CC1 ZINC000838813065 644027016 /nfs/dbraw/zinc/02/70/16/644027016.db2.gz UOJVPKFWFXANAJ-NVXWUHKLSA-N 2 1 280.456 2.201 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4c[nH]nc4c3)CC[C@@H]21 ZINC000877742909 650887944 /nfs/dbraw/zinc/88/79/44/650887944.db2.gz HBKVKRFSJQKKDI-ZBFHGGJFSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4c[nH]nc4c3)CC[C@@H]21 ZINC000877742909 650887946 /nfs/dbraw/zinc/88/79/46/650887946.db2.gz HBKVKRFSJQKKDI-ZBFHGGJFSA-N 2 1 270.380 2.089 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)CC[C@@H]21 ZINC000877742909 650887951 /nfs/dbraw/zinc/88/79/51/650887951.db2.gz HBKVKRFSJQKKDI-ZBFHGGJFSA-N 2 1 270.380 2.089 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)CC[C@@H]21 ZINC000877742909 650887953 /nfs/dbraw/zinc/88/79/53/650887953.db2.gz HBKVKRFSJQKKDI-ZBFHGGJFSA-N 2 1 270.380 2.089 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000854655382 644119023 /nfs/dbraw/zinc/11/90/23/644119023.db2.gz PSTOIUJSJZPPFG-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000886612030 644265123 /nfs/dbraw/zinc/26/51/23/644265123.db2.gz AACPEPPXCSGICY-MELADBBJSA-N 2 1 270.417 2.038 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000886612030 644265127 /nfs/dbraw/zinc/26/51/27/644265127.db2.gz AACPEPPXCSGICY-MELADBBJSA-N 2 1 270.417 2.038 20 0 CEADMP c1ccc2c(c1)C[C@H](C[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CO2 ZINC000754785801 644430368 /nfs/dbraw/zinc/43/03/68/644430368.db2.gz ONDGGANMYOQZKW-HYVNUMGLSA-N 2 1 286.419 2.454 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CCCN[C@H]1C)N1CCc2ccccc21 ZINC000925489869 644597101 /nfs/dbraw/zinc/59/71/01/644597101.db2.gz FXUVJWLFGZMFLF-OFQRWUPVSA-N 2 1 273.424 2.168 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)N1CCc2ccccc21 ZINC000925489869 644597102 /nfs/dbraw/zinc/59/71/02/644597102.db2.gz FXUVJWLFGZMFLF-OFQRWUPVSA-N 2 1 273.424 2.168 20 0 CEADMP C[C@@H](CN[C@H]1CC[NH2+]C1(C)C)[N@@H+]1CCc2sccc2C1 ZINC000925489852 644597160 /nfs/dbraw/zinc/59/71/60/644597160.db2.gz FXRHTGWSLZVXCX-WFASDCNBSA-N 2 1 293.480 2.225 20 0 CEADMP C[C@@H](CN[C@H]1CC[NH2+]C1(C)C)[N@H+]1CCc2sccc2C1 ZINC000925489852 644597165 /nfs/dbraw/zinc/59/71/65/644597165.db2.gz FXRHTGWSLZVXCX-WFASDCNBSA-N 2 1 293.480 2.225 20 0 CEADMP C[C@H](CN[C@@H]1CCC[NH2+][C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000925490087 644649799 /nfs/dbraw/zinc/64/97/99/644649799.db2.gz GXCGZVKLBTVAFI-RVKKMQEKSA-N 2 1 287.451 2.163 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccnc(F)c1 ZINC000858125423 645069184 /nfs/dbraw/zinc/06/91/84/645069184.db2.gz DEULXTJWHPXKDB-NSHDSACASA-N 2 1 262.332 2.152 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000858144616 645073751 /nfs/dbraw/zinc/07/37/51/645073751.db2.gz RYRCJOFKAQZWHR-OLZOCXBDSA-N 2 1 266.385 2.084 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)o1 ZINC000858144616 645073756 /nfs/dbraw/zinc/07/37/56/645073756.db2.gz RYRCJOFKAQZWHR-OLZOCXBDSA-N 2 1 266.385 2.084 20 0 CEADMP Cc1ccc(CNc2cc[nH+]c(CO)c2)c(N2CCCC2)[nH+]1 ZINC000858476411 645174411 /nfs/dbraw/zinc/17/44/11/645174411.db2.gz BECZOLBIHWDLIG-UHFFFAOYSA-N 2 1 298.390 2.490 20 0 CEADMP CC(C)[NH+]1CCN(C2CC[NH+](C/C=C\Cl)CC2)CC1 ZINC000761125242 645246415 /nfs/dbraw/zinc/24/64/15/645246415.db2.gz YDJOWBUHJFGDNU-UTCJRWHESA-N 2 1 285.863 2.229 20 0 CEADMP CC[N@H+](CCNC(=O)OC(C)(C)C)CCn1cc[nH+]c1C ZINC000859531170 645509205 /nfs/dbraw/zinc/50/92/05/645509205.db2.gz DVJQJFXUJUEATE-UHFFFAOYSA-N 2 1 296.415 2.038 20 0 CEADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)CCn1cc[nH+]c1C ZINC000859531170 645509207 /nfs/dbraw/zinc/50/92/07/645509207.db2.gz DVJQJFXUJUEATE-UHFFFAOYSA-N 2 1 296.415 2.038 20 0 CEADMP CC[N@H+](CCNC(=O)OC(C)(C)C)CC[C@H]1CCC[NH+]1C ZINC000859532017 645510485 /nfs/dbraw/zinc/51/04/85/645510485.db2.gz RLRPFARPDZFDSU-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)CC[C@H]1CCC[NH+]1C ZINC000859532017 645510491 /nfs/dbraw/zinc/51/04/91/645510491.db2.gz RLRPFARPDZFDSU-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP CC[NH+](CCNC(=O)OC(C)(C)C)CC[C@H]1CCC[N@@H+]1C ZINC000859532017 645510493 /nfs/dbraw/zinc/51/04/93/645510493.db2.gz RLRPFARPDZFDSU-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP CC[NH+](CCNC(=O)OC(C)(C)C)CC[C@H]1CCC[N@H+]1C ZINC000859532017 645510499 /nfs/dbraw/zinc/51/04/99/645510499.db2.gz RLRPFARPDZFDSU-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CC[C@H](O)C(C)C)CC1 ZINC000878165213 651021156 /nfs/dbraw/zinc/02/11/56/651021156.db2.gz VMCZBRRCAUTQQM-HNNXBMFYSA-N 2 1 256.434 2.200 20 0 CEADMP CC(C)CC[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878201225 651035641 /nfs/dbraw/zinc/03/56/41/651035641.db2.gz ZNRWSJUUYRKAOU-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000765768790 645805491 /nfs/dbraw/zinc/80/54/91/645805491.db2.gz KFOQVWRUWAKBFZ-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCN(C)C2)CC1 ZINC000765768790 645805500 /nfs/dbraw/zinc/80/55/00/645805500.db2.gz KFOQVWRUWAKBFZ-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](CC3CC3)CC2)o1 ZINC000766135262 645851617 /nfs/dbraw/zinc/85/16/17/645851617.db2.gz AFTAQWDCJHMOQZ-HNNXBMFYSA-N 2 1 278.396 2.085 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000878287288 651053804 /nfs/dbraw/zinc/05/38/04/651053804.db2.gz YJFUJDSUVUKQTR-TXCZRRACSA-N 2 1 278.440 2.360 20 0 CEADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000878287288 651053807 /nfs/dbraw/zinc/05/38/07/651053807.db2.gz YJFUJDSUVUKQTR-TXCZRRACSA-N 2 1 278.440 2.360 20 0 CEADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000878287288 651053811 /nfs/dbraw/zinc/05/38/11/651053811.db2.gz YJFUJDSUVUKQTR-TXCZRRACSA-N 2 1 278.440 2.360 20 0 CEADMP Cc1[nH+]ccn1CCCOC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC000767644206 646016496 /nfs/dbraw/zinc/01/64/96/646016496.db2.gz SMJRPHPOBJOAQU-OAHLLOKOSA-N 2 1 293.411 2.245 20 0 CEADMP Cc1nccn1CCCOC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000767642097 646016723 /nfs/dbraw/zinc/01/67/23/646016723.db2.gz ITPOVTKPDROCQS-HZSPNIEDSA-N 2 1 293.411 2.386 20 0 CEADMP Cc1[nH+]ccn1CCCOC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000767642097 646016732 /nfs/dbraw/zinc/01/67/32/646016732.db2.gz ITPOVTKPDROCQS-HZSPNIEDSA-N 2 1 293.411 2.386 20 0 CEADMP COc1cccc2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)oc21 ZINC000770395096 646387162 /nfs/dbraw/zinc/38/71/62/646387162.db2.gz OQYQYZGSDYKGPG-BETUJISGSA-N 2 1 272.348 2.093 20 0 CEADMP COc1cccc2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)oc21 ZINC000770395096 646387174 /nfs/dbraw/zinc/38/71/74/646387174.db2.gz OQYQYZGSDYKGPG-BETUJISGSA-N 2 1 272.348 2.093 20 0 CEADMP CCO[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1(C)C ZINC000770510813 646400585 /nfs/dbraw/zinc/40/05/85/646400585.db2.gz RFUQWYJQMKXPFH-CABCVRRESA-N 2 1 268.445 2.464 20 0 CEADMP C[N@H+]1CCCC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000862791727 646570841 /nfs/dbraw/zinc/57/08/41/646570841.db2.gz GYKMTFMDOPLXOQ-INIZCTEOSA-N 2 1 295.471 2.101 20 0 CEADMP CO[C@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774269730 646828070 /nfs/dbraw/zinc/82/80/70/646828070.db2.gz BBQINZSSMGSPHQ-MNFFZHCASA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H]1C[C@@H]1NC(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000864453641 647009122 /nfs/dbraw/zinc/00/91/22/647009122.db2.gz YHEMABGZFNTFPF-JSGCOSHPSA-N 2 1 266.433 2.163 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](Cn2cnnc2)CC1)CC(C)C ZINC000776763812 647088791 /nfs/dbraw/zinc/08/87/91/647088791.db2.gz PVOFSTUSOAVRKJ-UHFFFAOYSA-N 2 1 293.459 2.316 20 0 CEADMP C[C@@H]([NH2+]Cc1nc(-c2ccccc2)n[nH]1)C1CC[NH+](C)CC1 ZINC000777578495 647152185 /nfs/dbraw/zinc/15/21/85/647152185.db2.gz KHCYWSLMTVCKTQ-CYBMUJFWSA-N 2 1 299.422 2.292 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](CC2OCCO2)CC1)CC(C)C ZINC000777725829 647169825 /nfs/dbraw/zinc/16/98/25/647169825.db2.gz XXGAGJWYYBMKIG-UHFFFAOYSA-N 2 1 298.471 2.439 20 0 CEADMP C[NH+](C)CCC[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865398525 647273833 /nfs/dbraw/zinc/27/38/33/647273833.db2.gz ZVGUTILJYLXJMP-UHFFFAOYSA-N 2 1 261.344 2.415 20 0 CEADMP Fc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cnc1Cl ZINC000865411340 647280911 /nfs/dbraw/zinc/28/09/11/647280911.db2.gz BMKIPLRUQRVUFK-JTQLQIEISA-N 2 1 283.778 2.448 20 0 CEADMP Fc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cnc1Cl ZINC000865411340 647280914 /nfs/dbraw/zinc/28/09/14/647280914.db2.gz BMKIPLRUQRVUFK-JTQLQIEISA-N 2 1 283.778 2.448 20 0 CEADMP CCCn1cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)nn1 ZINC000865414479 647283429 /nfs/dbraw/zinc/28/34/29/647283429.db2.gz DDNCYYHRWYZLNQ-OAHLLOKOSA-N 2 1 293.459 2.432 20 0 CEADMP C[C@@H](CCO)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000779340642 647314274 /nfs/dbraw/zinc/31/42/74/647314274.db2.gz JQTHPEYXCHMVMF-DOTOQJQBSA-N 2 1 276.424 2.259 20 0 CEADMP C[C@H](CC[NH2+][C@@H](C)CCO)[N@@H+](C)Cc1ccccc1 ZINC000779400212 647319102 /nfs/dbraw/zinc/31/91/02/647319102.db2.gz QZLIMRPXRXFRHM-LSDHHAIUSA-N 2 1 264.413 2.258 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1)C1CC1 ZINC000865596221 647377261 /nfs/dbraw/zinc/37/72/61/647377261.db2.gz WGIWZNVHCIRDMC-UHFFFAOYSA-N 2 1 289.379 2.497 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC12CCOCC2 ZINC000865777790 647460653 /nfs/dbraw/zinc/46/06/53/647460653.db2.gz LKPYXVJROLOLFH-HRCADAONSA-N 2 1 278.440 2.410 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccnc(N(C)C)c1 ZINC000782176584 647595737 /nfs/dbraw/zinc/59/57/37/647595737.db2.gz OUDZZQBDGMUFBA-INIZCTEOSA-N 2 1 290.455 2.454 20 0 CEADMP C[N@H+]1CC[C@H]2CN(c3cc[nH+]c4c(O)cccc34)CC[C@H]21 ZINC000866208240 647672101 /nfs/dbraw/zinc/67/21/01/647672101.db2.gz LKFDRUHTAWTENZ-GXTWGEPZSA-N 2 1 283.375 2.471 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[C@@H]2C)cn1 ZINC000783219926 647695785 /nfs/dbraw/zinc/69/57/85/647695785.db2.gz BTKLNKBYFOUDDJ-FZMZJTMJSA-N 2 1 256.353 2.464 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C)CC1 ZINC000783243966 647700186 /nfs/dbraw/zinc/70/01/86/647700186.db2.gz QCHVRSRFGUDRLL-UKRRQHHQSA-N 2 1 254.418 2.264 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCC12CCOCC2 ZINC000866530789 647817020 /nfs/dbraw/zinc/81/70/20/647817020.db2.gz MNTHUSOQNYPMRI-CQSZACIVSA-N 2 1 278.440 2.410 20 0 CEADMP c1oc(C2CC2)nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000866666822 647861588 /nfs/dbraw/zinc/86/15/88/647861588.db2.gz XRUREKPLCQVUOA-UHFFFAOYSA-N 2 1 261.369 2.128 20 0 CEADMP C[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1C[NH3+] ZINC000866673346 647863936 /nfs/dbraw/zinc/86/39/36/647863936.db2.gz AHVWYVZFAQQQNS-ZIAGYGMSSA-N 2 1 254.418 2.252 20 0 CEADMP CC1CC(n2nnc3c2C[N@@H+](CCCCCC[NH3+])CC3)C1 ZINC000866685482 647868554 /nfs/dbraw/zinc/86/85/54/647868554.db2.gz NIAFNGKMRGYXEF-UHFFFAOYSA-N 2 1 291.443 2.126 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866697062 647872648 /nfs/dbraw/zinc/87/26/48/647872648.db2.gz FCARTXXMYAQQJC-GDBMZVCRSA-N 2 1 266.429 2.410 20 0 CEADMP COCc1cccc(C[N@@H+]2CC[NH2+]CCC2(C)C)c1 ZINC000866697082 647872692 /nfs/dbraw/zinc/87/26/92/647872692.db2.gz FHSXMPBSHCFQFI-UHFFFAOYSA-N 2 1 262.397 2.407 20 0 CEADMP COCc1cccc(C[N@H+]2CC[NH2+]CCC2(C)C)c1 ZINC000866697082 647872693 /nfs/dbraw/zinc/87/26/93/647872693.db2.gz FHSXMPBSHCFQFI-UHFFFAOYSA-N 2 1 262.397 2.407 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000866703858 647875666 /nfs/dbraw/zinc/87/56/66/647875666.db2.gz PCESONJDZJKQNZ-QGZVFWFLSA-N 2 1 295.471 2.086 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000866703858 647875670 /nfs/dbraw/zinc/87/56/70/647875670.db2.gz PCESONJDZJKQNZ-QGZVFWFLSA-N 2 1 295.471 2.086 20 0 CEADMP CCn1cc(CC[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000866708749 647877606 /nfs/dbraw/zinc/87/76/06/647877606.db2.gz OONAQSGJROKROI-MRXNPFEDSA-N 2 1 278.444 2.142 20 0 CEADMP C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709453 647877707 /nfs/dbraw/zinc/87/77/07/647877707.db2.gz XVEYGMRYNPFBRV-YOEHRIQHSA-N 2 1 295.471 2.084 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000866709018 647878225 /nfs/dbraw/zinc/87/82/25/647878225.db2.gz USZJHCGXQVGGHJ-KRWDZBQOSA-N 3 1 281.488 2.463 20 0 CEADMP CC(C)(C)[C@]1(CN)CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000866709018 647878227 /nfs/dbraw/zinc/87/82/27/647878227.db2.gz USZJHCGXQVGGHJ-KRWDZBQOSA-N 2 1 281.488 2.463 20 0 CEADMP CC(C)(C)[C@]1(CN)CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000866709018 647878230 /nfs/dbraw/zinc/87/82/30/647878230.db2.gz USZJHCGXQVGGHJ-KRWDZBQOSA-N 2 1 281.488 2.463 20 0 CEADMP COC(=O)CCCC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866710256 647878911 /nfs/dbraw/zinc/87/89/11/647878911.db2.gz WUIQLXYJIZSFCX-OAHLLOKOSA-N 2 1 270.417 2.027 20 0 CEADMP COc1ccc([C@H]2COCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000866717377 647880217 /nfs/dbraw/zinc/88/02/17/647880217.db2.gz CWQXOPOGIRTTTC-QGZVFWFLSA-N 2 1 290.407 2.068 20 0 CEADMP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)C1SCCS1 ZINC000866718190 647881442 /nfs/dbraw/zinc/88/14/42/647881442.db2.gz YOOHLWUJYJXNGF-RYUDHWBXSA-N 2 1 272.483 2.257 20 0 CEADMP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)C1SCCS1 ZINC000866718190 647881445 /nfs/dbraw/zinc/88/14/45/647881445.db2.gz YOOHLWUJYJXNGF-RYUDHWBXSA-N 2 1 272.483 2.257 20 0 CEADMP COc1ccc([C@@H]2COCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000866718786 647881527 /nfs/dbraw/zinc/88/15/27/647881527.db2.gz NSQLLOCHEFNAAN-PBHICJAKSA-N 2 1 290.407 2.068 20 0 CEADMP Fc1cccc2c1C[N@@H+](CC[C@H]1CCC[NH2+]C1)CCO2 ZINC000866727798 647884896 /nfs/dbraw/zinc/88/48/96/647884896.db2.gz UBSQOZQDLRJQIE-CYBMUJFWSA-N 2 1 278.371 2.410 20 0 CEADMP CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000788470618 648192219 /nfs/dbraw/zinc/19/22/19/648192219.db2.gz VPRHNRODUUFWGQ-SJORKVTESA-N 2 1 276.424 2.259 20 0 CEADMP CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000788470618 648192224 /nfs/dbraw/zinc/19/22/24/648192224.db2.gz VPRHNRODUUFWGQ-SJORKVTESA-N 2 1 276.424 2.259 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)n(C)n1 ZINC000793523142 648769608 /nfs/dbraw/zinc/76/96/08/648769608.db2.gz DKECJJYOEQVHAU-AAEUAGOBSA-N 2 1 275.400 2.220 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000870867983 648937862 /nfs/dbraw/zinc/93/78/62/648937862.db2.gz XEMJZYWCSRQYFL-BZUAXINKSA-N 2 1 295.471 2.132 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872021600 649243551 /nfs/dbraw/zinc/24/35/51/649243551.db2.gz CVNSFGXJHHKZRU-HUUCEWRRSA-N 2 1 286.460 2.138 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872021599 649243697 /nfs/dbraw/zinc/24/36/97/649243697.db2.gz CVNSFGXJHHKZRU-GJZGRUSLSA-N 2 1 286.460 2.138 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)C1CC1 ZINC000872025800 649244218 /nfs/dbraw/zinc/24/42/18/649244218.db2.gz TYFBWGOADSIXMF-LSDHHAIUSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CCCOC1 ZINC000872065876 649260183 /nfs/dbraw/zinc/26/01/83/649260183.db2.gz HZAPZFSBUVIJRI-IKGGRYGDSA-N 2 1 298.471 2.282 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)CC1(C)C ZINC000872105244 649278486 /nfs/dbraw/zinc/27/84/86/649278486.db2.gz FAUFOCBCRKPWES-OLZOCXBDSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)[C@@H](C)C1 ZINC000872106676 649279209 /nfs/dbraw/zinc/27/92/09/649279209.db2.gz JVZUOTUPMVQUCW-MJBXVCDLSA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)[C@H](C)C1 ZINC000872122107 649283427 /nfs/dbraw/zinc/28/34/27/649283427.db2.gz BQSCQCFEFAWURC-DGCLKSJQSA-N 2 1 289.379 2.353 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)[C@H](C)C1 ZINC000872122107 649283430 /nfs/dbraw/zinc/28/34/30/649283430.db2.gz BQSCQCFEFAWURC-DGCLKSJQSA-N 2 1 289.379 2.353 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141515 649290620 /nfs/dbraw/zinc/29/06/20/649290620.db2.gz KIJZGIHXMLOHHS-BFHYXJOUSA-N 2 1 252.402 2.005 20 0 CEADMP C([C@H]1CC2(CCC2)CO1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000872143581 649292681 /nfs/dbraw/zinc/29/26/81/649292681.db2.gz SZCJIDSCNURJMI-OWCLPIDISA-N 2 1 278.440 2.267 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000872143297 649293036 /nfs/dbraw/zinc/29/30/36/649293036.db2.gz KRNAOMYMZFFFFC-UHFFFAOYSA-N 2 1 277.412 2.375 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@H]1CC2(CCC2)CO1 ZINC000872144865 649294619 /nfs/dbraw/zinc/29/46/19/649294619.db2.gz KQSLCVSBYPGTNB-NPCAHTBFSA-N 2 1 264.413 2.149 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154340 649298168 /nfs/dbraw/zinc/29/81/68/649298168.db2.gz XNPOKWWVPHFXQU-QKPAOTATSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154340 649298172 /nfs/dbraw/zinc/29/81/72/649298172.db2.gz XNPOKWWVPHFXQU-QKPAOTATSA-N 2 1 266.429 2.123 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1nc(N)c2ccccc2n1 ZINC000872155124 649298471 /nfs/dbraw/zinc/29/84/71/649298471.db2.gz DGTUNKSOHRMTSN-UHFFFAOYSA-N 2 1 287.411 2.163 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CCCC1CC[NH2+]CC1 ZINC000872155194 649298541 /nfs/dbraw/zinc/29/85/41/649298541.db2.gz GSHJUTJNUQGLKB-UHFFFAOYSA-N 3 1 255.450 2.217 20 0 CEADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000872156029 649299648 /nfs/dbraw/zinc/29/96/48/649299648.db2.gz CTZKGQCCNJKNEZ-ZMSDIMECSA-N 3 1 279.472 2.216 20 0 CEADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000872156027 649299690 /nfs/dbraw/zinc/29/96/90/649299690.db2.gz CTZKGQCCNJKNEZ-HLLBOEOZSA-N 3 1 279.472 2.216 20 0 CEADMP CCCNC(=O)C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158164 649300342 /nfs/dbraw/zinc/30/03/42/649300342.db2.gz YOQBNGXIUOMFCA-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157699 649300387 /nfs/dbraw/zinc/30/03/87/649300387.db2.gz PRRYXPZYNFXLMD-ZBFHGGJFSA-N 3 1 267.461 2.216 20 0 CEADMP CC(C)NC(=O)C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157869 649300554 /nfs/dbraw/zinc/30/05/54/649300554.db2.gz SVAGEYXEDOGPPD-ZBFHGGJFSA-N 2 1 295.471 2.131 20 0 CEADMP O[C@@]1(C[NH2+][C@H]2CC23CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000872251612 649328954 /nfs/dbraw/zinc/32/89/54/649328954.db2.gz PKDNFTBXCNSBOE-FUHWJXTLSA-N 2 1 286.419 2.156 20 0 CEADMP O[C@@]1(C[NH2+][C@H]2CC23CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000872251612 649328956 /nfs/dbraw/zinc/32/89/56/649328956.db2.gz PKDNFTBXCNSBOE-FUHWJXTLSA-N 2 1 286.419 2.156 20 0 CEADMP O[C@]1(C[NH2+][C@H]2CC23CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000872251614 649329215 /nfs/dbraw/zinc/32/92/15/649329215.db2.gz PKDNFTBXCNSBOE-WMZOPIPTSA-N 2 1 286.419 2.156 20 0 CEADMP O[C@]1(C[NH2+][C@H]2CC23CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000872251614 649329219 /nfs/dbraw/zinc/32/92/19/649329219.db2.gz PKDNFTBXCNSBOE-WMZOPIPTSA-N 2 1 286.419 2.156 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH2+]CCC1(C)C ZINC000872297465 649349245 /nfs/dbraw/zinc/34/92/45/649349245.db2.gz PJWMXPZVQGPYJW-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208985 649590005 /nfs/dbraw/zinc/59/00/05/649590005.db2.gz GRBKCIDVPLAUQV-LALPHHSUSA-N 2 1 294.464 2.375 20 0 CEADMP COCCC1([NH2+]Cc2cccc(OC)c2F)CC[NH2+]CC1 ZINC000873225483 649598473 /nfs/dbraw/zinc/59/84/73/649598473.db2.gz QNGMRQUDHNYYQP-UHFFFAOYSA-N 2 1 296.386 2.083 20 0 CEADMP COc1cc2c(cc1C[N@@H+](C)CCCCCC[NH3+])OCO2 ZINC000873231803 649603469 /nfs/dbraw/zinc/60/34/69/649603469.db2.gz VVJUSRXOVZNVRG-UHFFFAOYSA-N 2 1 294.395 2.375 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC(C)(C)CN1 ZINC000873236193 649604039 /nfs/dbraw/zinc/60/40/39/649604039.db2.gz YIXBOYYLLMETPJ-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)[NH+]1CCC(CCN[C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000873242489 649605983 /nfs/dbraw/zinc/60/59/83/649605983.db2.gz QGVNBLRJYVDUBK-ZBFHGGJFSA-N 2 1 267.461 2.227 20 0 CEADMP CCOC(CN(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)OCC ZINC000125017230 649778234 /nfs/dbraw/zinc/77/82/34/649778234.db2.gz AWWWTXZEBMSOPM-KGLIPLIRSA-N 2 1 272.433 2.048 20 0 CEADMP CCOC(C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C)OCC ZINC000125017230 649778239 /nfs/dbraw/zinc/77/82/39/649778239.db2.gz AWWWTXZEBMSOPM-KGLIPLIRSA-N 2 1 272.433 2.048 20 0 CEADMP CCOC(C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C)OCC ZINC000125017230 649778241 /nfs/dbraw/zinc/77/82/41/649778241.db2.gz AWWWTXZEBMSOPM-KGLIPLIRSA-N 2 1 272.433 2.048 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000878511022 651116850 /nfs/dbraw/zinc/11/68/50/651116850.db2.gz HBEZGWHOLMWJHR-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCCC(C)(C)O3)C2)C1 ZINC000878646328 651150400 /nfs/dbraw/zinc/15/04/00/651150400.db2.gz ZKHVXWPXVWBQBS-GOEBONIOSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CCCC(C)(C)O3)C2)C1 ZINC000878646328 651150401 /nfs/dbraw/zinc/15/04/01/651150401.db2.gz ZKHVXWPXVWBQBS-GOEBONIOSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CCCC(C)(C)O3)C2)C1 ZINC000878646328 651150402 /nfs/dbraw/zinc/15/04/02/651150402.db2.gz ZKHVXWPXVWBQBS-GOEBONIOSA-N 2 1 266.429 2.362 20 0 CEADMP Cc1cnc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)nc1 ZINC000879250752 651270661 /nfs/dbraw/zinc/27/06/61/651270661.db2.gz YOMZVPALLFBLKO-UHFFFAOYSA-N 2 1 274.412 2.093 20 0 CEADMP Clc1ccc2c(c1)CC[C@H]2[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000127786453 651308913 /nfs/dbraw/zinc/30/89/13/651308913.db2.gz QCSBXVWJCMHGJD-TYNCELHUSA-N 2 1 262.784 2.479 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000879573709 651324685 /nfs/dbraw/zinc/32/46/85/651324685.db2.gz QAEJRTSMJZUFIC-DLBZAZTESA-N 2 1 286.419 2.190 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000879573709 651324687 /nfs/dbraw/zinc/32/46/87/651324687.db2.gz QAEJRTSMJZUFIC-DLBZAZTESA-N 2 1 286.419 2.190 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000879573709 651324688 /nfs/dbraw/zinc/32/46/88/651324688.db2.gz QAEJRTSMJZUFIC-DLBZAZTESA-N 2 1 286.419 2.190 20 0 CEADMP CN(CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)c1ccccc1 ZINC000879577426 651325321 /nfs/dbraw/zinc/32/53/21/651325321.db2.gz XTPRWXGGVLFIPZ-NVXWUHKLSA-N 2 1 273.424 2.149 20 0 CEADMP C[N@@H+](CCN1CC[C@H]2[C@@H](CC[NH+]2C)C1)Cc1ccccc1 ZINC000879579380 651325738 /nfs/dbraw/zinc/32/57/38/651325738.db2.gz KVITYJUOOAYMNA-ROUUACIJSA-N 2 1 287.451 2.144 20 0 CEADMP C[NH+](CCN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)Cc1ccccc1 ZINC000879579380 651325741 /nfs/dbraw/zinc/32/57/41/651325741.db2.gz KVITYJUOOAYMNA-ROUUACIJSA-N 2 1 287.451 2.144 20 0 CEADMP C[NH+](CCN1CC[C@H]2[C@@H](CC[N@H+]2C)C1)Cc1ccccc1 ZINC000879579380 651325743 /nfs/dbraw/zinc/32/57/43/651325743.db2.gz KVITYJUOOAYMNA-ROUUACIJSA-N 2 1 287.451 2.144 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCCc3ccncc3)CC[C@H]21 ZINC000879580399 651326269 /nfs/dbraw/zinc/32/62/69/651326269.db2.gz HBXBYPOWJHDMMA-JKSUJKDBSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCCc3ccncc3)CC[C@H]21 ZINC000879580399 651326271 /nfs/dbraw/zinc/32/62/71/651326271.db2.gz HBXBYPOWJHDMMA-JKSUJKDBSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCc3ccncc3)CC[C@H]21 ZINC000879580399 651326272 /nfs/dbraw/zinc/32/62/72/651326272.db2.gz HBXBYPOWJHDMMA-JKSUJKDBSA-N 2 1 259.397 2.040 20 0 CEADMP CCC(O)(CC)C(C)(C)[NH2+]CCn1cc[nH+]c1C ZINC000879697680 651340772 /nfs/dbraw/zinc/34/07/72/651340772.db2.gz IWRTWNPNLBARDF-UHFFFAOYSA-N 2 1 253.390 2.111 20 0 CEADMP CC(C)CC(=O)N1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000879761041 651348412 /nfs/dbraw/zinc/34/84/12/651348412.db2.gz STCTWONPVINWPM-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC(=O)N1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000879761041 651348414 /nfs/dbraw/zinc/34/84/14/651348414.db2.gz STCTWONPVINWPM-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC(=O)N1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000879761041 651348416 /nfs/dbraw/zinc/34/84/16/651348416.db2.gz STCTWONPVINWPM-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC(=O)N1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000879761041 651348417 /nfs/dbraw/zinc/34/84/17/651348417.db2.gz STCTWONPVINWPM-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CSC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950746 651364023 /nfs/dbraw/zinc/36/40/23/651364023.db2.gz BEDLDETVLVIZPG-AWEZNQCLSA-N 2 1 286.485 2.051 20 0 CEADMP CC1(C)OC[C@@H](C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)O1 ZINC000879951174 651364545 /nfs/dbraw/zinc/36/45/45/651364545.db2.gz JJJXJNMOTVJRMA-OAHLLOKOSA-N 2 1 296.455 2.478 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880143144 651391255 /nfs/dbraw/zinc/39/12/55/651391255.db2.gz YJNJRWUIBGCMFD-IXDOHACOSA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880143144 651391256 /nfs/dbraw/zinc/39/12/56/651391256.db2.gz YJNJRWUIBGCMFD-IXDOHACOSA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880143144 651391258 /nfs/dbraw/zinc/39/12/58/651391258.db2.gz YJNJRWUIBGCMFD-IXDOHACOSA-N 2 1 279.472 2.418 20 0 CEADMP COCC1([N@@H+](C)CCC[NH+]2CCCCC2)CCC1 ZINC000880186196 651397138 /nfs/dbraw/zinc/39/71/38/651397138.db2.gz ULWQDJRHTNAATG-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258100 651411065 /nfs/dbraw/zinc/41/10/65/651411065.db2.gz CFEVDSNQOHVMRU-ILXRZTDVSA-N 2 1 275.396 2.017 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2cccnc2)CCN1c1cc[nH+]cc1 ZINC000880259104 651411795 /nfs/dbraw/zinc/41/17/95/651411795.db2.gz MUESEYDADCIMRI-OAHLLOKOSA-N 2 1 282.391 2.230 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880261555 651412484 /nfs/dbraw/zinc/41/24/84/651412484.db2.gz WLCDSWAMLKXZRM-CRAIPNDOSA-N 2 1 297.402 2.326 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccn2)CCN1c1cc[nH+]cc1 ZINC000880263668 651412645 /nfs/dbraw/zinc/41/26/45/651412645.db2.gz ZUNBUNGDGXBVMA-AWEZNQCLSA-N 2 1 268.364 2.187 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccn2)CCN1c1cc[nH+]cc1 ZINC000880263668 651412647 /nfs/dbraw/zinc/41/26/47/651412647.db2.gz ZUNBUNGDGXBVMA-AWEZNQCLSA-N 2 1 268.364 2.187 20 0 CEADMP FC[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](CF)C2)C1 ZINC000880296768 651418451 /nfs/dbraw/zinc/41/84/51/651418451.db2.gz GBTRZPDDHZFCIP-YZRRVPADSA-N 2 1 258.356 2.125 20 0 CEADMP FC[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@H](CF)C2)C1 ZINC000880296768 651418452 /nfs/dbraw/zinc/41/84/52/651418452.db2.gz GBTRZPDDHZFCIP-YZRRVPADSA-N 2 1 258.356 2.125 20 0 CEADMP FC[C@@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@H](CF)C2)C1 ZINC000880296768 651418453 /nfs/dbraw/zinc/41/84/53/651418453.db2.gz GBTRZPDDHZFCIP-YZRRVPADSA-N 2 1 258.356 2.125 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000880306544 651420925 /nfs/dbraw/zinc/42/09/25/651420925.db2.gz VJLZVXIEBRXSBD-GFCCVEGCSA-N 2 1 291.317 2.235 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000880306544 651420926 /nfs/dbraw/zinc/42/09/26/651420926.db2.gz VJLZVXIEBRXSBD-GFCCVEGCSA-N 2 1 291.317 2.235 20 0 CEADMP CC1([NH+]2CCC2)CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000880471720 651446897 /nfs/dbraw/zinc/44/68/97/651446897.db2.gz YYUBUFKHMPAVMF-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCOC(F)F ZINC000880517231 651454080 /nfs/dbraw/zinc/45/40/80/651454080.db2.gz MSLYWXDORXCJDY-UHFFFAOYSA-N 2 1 264.360 2.424 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000882941543 652279925 /nfs/dbraw/zinc/27/99/25/652279925.db2.gz SVWUYDDWNYAUEO-ZDUSSCGKSA-N 2 1 288.395 2.088 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000882984991 652305180 /nfs/dbraw/zinc/30/51/80/652305180.db2.gz BIELHDAOPXNODZ-FVQHAEBGSA-N 2 1 279.472 2.182 20 0 CEADMP C([C@@H]1CCC2(CCC2)O1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000883429316 652466598 /nfs/dbraw/zinc/46/65/98/652466598.db2.gz RXLCMKFSHHPQHP-JYJNAYRXSA-N 2 1 278.440 2.410 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)o1 ZINC000883434257 652468951 /nfs/dbraw/zinc/46/89/51/652468951.db2.gz LDSXHFUBOOYMCH-NSHDSACASA-N 2 1 263.385 2.255 20 0 CEADMP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(C)cc1 ZINC000883440840 652471655 /nfs/dbraw/zinc/47/16/55/652471655.db2.gz AXANNXPSISWWAS-KKUMJFAQSA-N 2 1 289.423 2.428 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1(C)C ZINC000883460939 652477181 /nfs/dbraw/zinc/47/71/81/652477181.db2.gz KUZHZVADPQVSPQ-UHFFFAOYSA-N 2 1 292.423 2.407 20 0 CEADMP C[NH2+]CCC[N@H+]1CCc2cc(OC)c(OC)cc2C1(C)C ZINC000883460939 652477183 /nfs/dbraw/zinc/47/71/83/652477183.db2.gz KUZHZVADPQVSPQ-UHFFFAOYSA-N 2 1 292.423 2.407 20 0 CEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000883462152 652478008 /nfs/dbraw/zinc/47/80/08/652478008.db2.gz KWSWAOWERDIWBU-ZBFHGGJFSA-N 2 1 266.429 2.125 20 0 CEADMP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000884197397 652749659 /nfs/dbraw/zinc/74/96/59/652749659.db2.gz SJTIIJWBRUKQEE-INIZCTEOSA-N 2 1 297.487 2.199 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884203708 652750733 /nfs/dbraw/zinc/75/07/33/652750733.db2.gz CIJVLHDAXYSBMI-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP CCC1([NH+]2CCC2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000884718888 652970167 /nfs/dbraw/zinc/97/01/67/652970167.db2.gz SDLSADZSVHQKQC-UHFFFAOYSA-N 2 1 285.395 2.413 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000885927127 653070456 /nfs/dbraw/zinc/07/04/56/653070456.db2.gz NLJOREPORNGYDE-ZNMIVQPWSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1cc2c(nc[nH+]c2N2CCC(C[NH+](C)C)CC2)[nH]1 ZINC001165042223 721944422 /nfs/dbraw/zinc/94/44/22/721944422.db2.gz QOLPUBJAMLJLDK-UHFFFAOYSA-N 2 1 273.384 2.044 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)OC1 ZINC000715013924 814924691 /nfs/dbraw/zinc/92/46/91/814924691.db2.gz FDYRNMNZTHMETJ-RRFJBIMHSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2c(F)cccc2C1 ZINC001171411098 814924955 /nfs/dbraw/zinc/92/49/55/814924955.db2.gz DMMGPGMJKRAPLB-YPMHNXCESA-N 2 1 250.361 2.210 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC=C(C)C)CC1 ZINC001203442002 805786509 /nfs/dbraw/zinc/78/65/09/805786509.db2.gz AZZZTDYUSPSRTK-UHFFFAOYSA-N 2 1 295.471 2.265 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC[N@H+]1CC ZINC001087749700 805786570 /nfs/dbraw/zinc/78/65/70/805786570.db2.gz VOMUTOMQEWSTMW-XHSDSOJGSA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1CC ZINC001087749700 805786574 /nfs/dbraw/zinc/78/65/74/805786574.db2.gz VOMUTOMQEWSTMW-XHSDSOJGSA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC[NH+]1CC ZINC001087749700 805786579 /nfs/dbraw/zinc/78/65/79/805786579.db2.gz VOMUTOMQEWSTMW-XHSDSOJGSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@@H](CC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[NH+](C)C ZINC000895300079 805795737 /nfs/dbraw/zinc/79/57/37/805795737.db2.gz RZZQEILKPRFPDX-HNNXBMFYSA-N 3 1 293.455 2.057 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CF)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032055 805835589 /nfs/dbraw/zinc/83/55/89/805835589.db2.gz DLVOXFHSYKLDID-FSDCSDTHSA-N 2 1 294.414 2.348 20 0 CEADMP c1ccc2c(c1)C[N@H+](C[C@H]1CCCC[NH2+]C1)CCO2 ZINC000696996843 806069836 /nfs/dbraw/zinc/06/98/36/806069836.db2.gz FVJBRTSZEMEGPM-AWEZNQCLSA-N 2 1 260.381 2.271 20 0 CEADMP c1ccc2c(c1)C[N@@H+](C[C@H]1CCCC[NH2+]C1)CCO2 ZINC000696996843 806069841 /nfs/dbraw/zinc/06/98/41/806069841.db2.gz FVJBRTSZEMEGPM-AWEZNQCLSA-N 2 1 260.381 2.271 20 0 CEADMP CC[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001228114829 806132375 /nfs/dbraw/zinc/13/23/75/806132375.db2.gz VUQZOUFNTQGQKB-UHFFFAOYSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168101790 806165784 /nfs/dbraw/zinc/16/57/84/806165784.db2.gz MNCHPWRRCIIBPY-QBYUYEEZSA-N 2 1 296.455 2.305 20 0 CEADMP CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001088381505 806173387 /nfs/dbraw/zinc/17/33/87/806173387.db2.gz GEIGJDDSOWUYMM-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CN(CC[N@@H+](C)CCC1=CCCCC1)C(=O)CC[NH+](C)C ZINC001272097522 806536888 /nfs/dbraw/zinc/53/68/88/806536888.db2.gz CDFPSHWNEXWKNX-UHFFFAOYSA-N 2 1 295.471 2.219 20 0 CEADMP CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001088666258 806584770 /nfs/dbraw/zinc/58/47/70/806584770.db2.gz AQTHJIKWEHHVDY-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001088666258 806584775 /nfs/dbraw/zinc/58/47/75/806584775.db2.gz AQTHJIKWEHHVDY-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001088666258 806584779 /nfs/dbraw/zinc/58/47/79/806584779.db2.gz AQTHJIKWEHHVDY-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001088666258 806584787 /nfs/dbraw/zinc/58/47/87/806584787.db2.gz AQTHJIKWEHHVDY-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC(Nc2cc(N)c(C(F)(F)F)c[nH+]2)C1 ZINC001168311807 806643354 /nfs/dbraw/zinc/64/33/54/806643354.db2.gz OZZUEEPVFTZDBJ-UHFFFAOYSA-N 2 1 274.290 2.187 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H]3OCCC[C@H]3C2)CC1 ZINC001168315884 806647680 /nfs/dbraw/zinc/64/76/80/806647680.db2.gz PPFDBFKVXJGSOZ-LBDPXKHJSA-N 2 1 266.429 2.360 20 0 CEADMP COC(=O)CC[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168326539 806655951 /nfs/dbraw/zinc/65/59/51/806655951.db2.gz AQGIEQPXYYYTNY-NFOMZHRRSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)CC1 ZINC001168327939 806657157 /nfs/dbraw/zinc/65/71/57/806657157.db2.gz UJZBEVLWEMOEPT-RUXDESIVSA-N 2 1 288.382 2.359 20 0 CEADMP CC(C)C(=O)N[C@@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168329745 806659456 /nfs/dbraw/zinc/65/94/56/806659456.db2.gz GBOFVZSNAZTTKE-QQFBHYJXSA-N 2 1 295.471 2.096 20 0 CEADMP CO[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC001168329784 806659553 /nfs/dbraw/zinc/65/95/53/806659553.db2.gz IGPILHDXJFPQQR-VXGQWTEUSA-N 2 1 254.418 2.359 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)CC1 ZINC001168334345 806661905 /nfs/dbraw/zinc/66/19/05/806661905.db2.gz RFXCPSZERXWPFJ-XSCHDIRWSA-N 2 1 264.413 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC[NH+](CC3CC3)CC1)C2 ZINC001168363341 806757608 /nfs/dbraw/zinc/75/76/08/806757608.db2.gz YAFAMIICCBSINE-NNZMDNLPSA-N 2 1 291.483 2.466 20 0 CEADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266246642 802315507 /nfs/dbraw/zinc/31/55/07/802315507.db2.gz UBYFFLBYQQPPQX-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266246642 802315511 /nfs/dbraw/zinc/31/55/11/802315511.db2.gz UBYFFLBYQQPPQX-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266246642 802315518 /nfs/dbraw/zinc/31/55/18/802315518.db2.gz UBYFFLBYQQPPQX-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC001208606271 802389178 /nfs/dbraw/zinc/38/91/78/802389178.db2.gz DRGJVCAJYMLHSV-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC001208606271 802389185 /nfs/dbraw/zinc/38/91/85/802389185.db2.gz DRGJVCAJYMLHSV-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC001208606271 802389195 /nfs/dbraw/zinc/38/91/95/802389195.db2.gz DRGJVCAJYMLHSV-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP CCCCC[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001266468456 802616886 /nfs/dbraw/zinc/61/68/86/802616886.db2.gz QMNYTPQHDRJGKQ-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CC(C)(C)O1 ZINC000710850877 809996448 /nfs/dbraw/zinc/99/64/48/809996448.db2.gz KHASMDOOWHGXCI-LLVKDONJSA-N 2 1 280.437 2.393 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CC(C)(C)O1 ZINC000710850877 809996449 /nfs/dbraw/zinc/99/64/49/809996449.db2.gz KHASMDOOWHGXCI-LLVKDONJSA-N 2 1 280.437 2.393 20 0 CEADMP C[C@@H]1C[C@@H](n2cnc(C[NH3+])c2)C[N@H+]1Cc1ccccc1 ZINC000398203535 802809056 /nfs/dbraw/zinc/80/90/56/802809056.db2.gz NKDDSXRCKBPYHS-CZUORRHYSA-N 2 1 270.380 2.177 20 0 CEADMP CCC1(CC)CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000721455894 802811236 /nfs/dbraw/zinc/81/12/36/802811236.db2.gz MSJLCHZIFYICRK-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP CCC1(CC)CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000721455894 802811240 /nfs/dbraw/zinc/81/12/40/802811240.db2.gz MSJLCHZIFYICRK-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP FC(F)(F)[C@H]1CC[C@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)O1 ZINC000721457130 802814581 /nfs/dbraw/zinc/81/45/81/802814581.db2.gz GZHHOLOCWGVFHH-VXGBXAGGSA-N 2 1 292.345 2.172 20 0 CEADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@H]1CC[NH3+] ZINC000723891020 802965030 /nfs/dbraw/zinc/96/50/30/802965030.db2.gz JXDBGHNMVDBYMC-VXGBXAGGSA-N 2 1 295.814 2.195 20 0 CEADMP C1CC1[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCOC1 ZINC000723978161 802982550 /nfs/dbraw/zinc/98/25/50/802982550.db2.gz OJUXQARDJXEQIY-WMLDXEAASA-N 2 1 278.440 2.408 20 0 CEADMP CO[C@H]1CC[C@@H]1[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000724221675 803064195 /nfs/dbraw/zinc/06/41/95/803064195.db2.gz XLRGPFNKDSHWKX-CHZLEKFTSA-N 2 1 252.402 2.016 20 0 CEADMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]CCC2CCCC2)C1 ZINC001133896132 813172694 /nfs/dbraw/zinc/17/26/94/813172694.db2.gz DHJCWCSPBXDZHA-UHFFFAOYSA-N 2 1 295.471 2.004 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896862 813173982 /nfs/dbraw/zinc/17/39/82/813173982.db2.gz SLACBFJDXDRKMU-HNNXBMFYSA-N 2 1 297.487 2.106 20 0 CEADMP COc1ccc2c[nH+]c(N3CCC4(C[NH2+]C4)CC3)cc2c1 ZINC001159042526 813191765 /nfs/dbraw/zinc/19/17/65/813191765.db2.gz HURWCHKMFQCVPO-UHFFFAOYSA-N 2 1 283.375 2.433 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001167598248 803181649 /nfs/dbraw/zinc/18/16/49/803181649.db2.gz FKQFCEADAOGUKC-INIZCTEOSA-N 2 1 296.455 2.384 20 0 CEADMP CCOC(=O)CCCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001167598248 803181651 /nfs/dbraw/zinc/18/16/51/803181651.db2.gz FKQFCEADAOGUKC-INIZCTEOSA-N 2 1 296.455 2.384 20 0 CEADMP CCCCC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167641089 803229816 /nfs/dbraw/zinc/22/98/16/803229816.db2.gz TXMVKQBTHYMWAO-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)C12CCC2 ZINC000405352053 803370213 /nfs/dbraw/zinc/37/02/13/803370213.db2.gz OSPMWGZVDVTNMY-CHWSQXEVSA-N 2 1 252.308 2.324 20 0 CEADMP CC(C)[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001023984605 803475629 /nfs/dbraw/zinc/47/56/29/803475629.db2.gz GRNZLOMKYNNICK-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(Br)s2)CCC1 ZINC000088052234 803475789 /nfs/dbraw/zinc/47/57/89/803475789.db2.gz XODKWMQVQRMPMJ-UHFFFAOYSA-N 2 1 275.215 2.482 20 0 CEADMP CCC[N@@H+](CC1CC[NH+](C)CC1)C1CCOCC1 ZINC001207399912 803498099 /nfs/dbraw/zinc/49/80/99/803498099.db2.gz YZIUHVXPRUKBJM-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715394659 814953182 /nfs/dbraw/zinc/95/31/82/814953182.db2.gz OWTUDBOQOSKVKZ-UONOGXRCSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715394659 814953187 /nfs/dbraw/zinc/95/31/87/814953187.db2.gz OWTUDBOQOSKVKZ-UONOGXRCSA-N 2 1 252.402 2.018 20 0 CEADMP CCCCC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267726115 803678558 /nfs/dbraw/zinc/67/85/58/803678558.db2.gz RQZPXFIYOMIZEZ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267726115 803678563 /nfs/dbraw/zinc/67/85/63/803678563.db2.gz RQZPXFIYOMIZEZ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267726115 803678567 /nfs/dbraw/zinc/67/85/67/803678567.db2.gz RQZPXFIYOMIZEZ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cnccc3C)C[C@@H]2C1 ZINC001141047921 803687653 /nfs/dbraw/zinc/68/76/53/803687653.db2.gz BCDHRKLQXWEHDB-HOTGVXAUSA-N 2 1 259.397 2.164 20 0 CEADMP c1cnc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000299929392 803922385 /nfs/dbraw/zinc/92/23/85/803922385.db2.gz QHNOMKXCEWXJSC-KKUMJFAQSA-N 2 1 257.381 2.285 20 0 CEADMP c1cnc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000299929392 803922388 /nfs/dbraw/zinc/92/23/88/803922388.db2.gz QHNOMKXCEWXJSC-KKUMJFAQSA-N 2 1 257.381 2.285 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001027417637 804065451 /nfs/dbraw/zinc/06/54/51/804065451.db2.gz FHXXJYKPADSVKJ-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001027417637 804065457 /nfs/dbraw/zinc/06/54/57/804065457.db2.gz FHXXJYKPADSVKJ-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001027417637 804065468 /nfs/dbraw/zinc/06/54/68/804065468.db2.gz FHXXJYKPADSVKJ-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)[C@@H]1CCC[NH2+]1 ZINC000423104489 804111818 /nfs/dbraw/zinc/11/18/18/804111818.db2.gz BODQHSFDGQQYBB-YUELXQCFSA-N 2 1 260.381 2.110 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1SCCS1 ZINC000692850092 804189686 /nfs/dbraw/zinc/18/96/86/804189686.db2.gz VCZMGCBPBXWPCH-MNOVXSKESA-N 2 1 258.456 2.009 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1SCCS1 ZINC000692850106 804190079 /nfs/dbraw/zinc/19/00/79/804190079.db2.gz VCZMGCBPBXWPCH-WDEREUQCSA-N 2 1 258.456 2.009 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1C(C)C ZINC001027985694 804382101 /nfs/dbraw/zinc/38/21/01/804382101.db2.gz NEDDYKOJPVPAEX-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C)C1 ZINC001167825161 804384194 /nfs/dbraw/zinc/38/41/94/804384194.db2.gz GKZDQCKSWLZFFL-GJZGRUSLSA-N 2 1 255.450 2.133 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2nn(C)cc2C1 ZINC001167825989 804386371 /nfs/dbraw/zinc/38/63/71/804386371.db2.gz LYIBBDKIMXSPMZ-CQSZACIVSA-N 2 1 278.444 2.289 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000336802016 804393923 /nfs/dbraw/zinc/39/39/23/804393923.db2.gz SGXXSKNZGXOURG-HNNXBMFYSA-N 2 1 262.401 2.073 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001167833560 804410878 /nfs/dbraw/zinc/41/08/78/804410878.db2.gz CMKSPZOBIZTPBA-HRCADAONSA-N 2 1 267.461 2.133 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CCC(C)C)CC1 ZINC001167836508 804429410 /nfs/dbraw/zinc/42/94/10/804429410.db2.gz XZORQLRSJFJLRD-UHFFFAOYSA-N 2 1 297.487 2.250 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001028088709 804444428 /nfs/dbraw/zinc/44/44/28/804444428.db2.gz OILRBCMBGAWRLZ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028088709 804444432 /nfs/dbraw/zinc/44/44/32/804444432.db2.gz OILRBCMBGAWRLZ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001028088709 804444435 /nfs/dbraw/zinc/44/44/35/804444435.db2.gz OILRBCMBGAWRLZ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](C[NH+]1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037153852 815020665 /nfs/dbraw/zinc/02/06/65/815020665.db2.gz BZDQFGLUEVKWFI-HNSVSWJLSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)[NH+]1CCN(Cc2ccc(NC=[NH2+])c(F)c2)CC1 ZINC001167870794 804524961 /nfs/dbraw/zinc/52/49/61/804524961.db2.gz CJSZMVINOKTPSB-UHFFFAOYSA-N 2 1 278.375 2.371 20 0 CEADMP CC(C)CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001268227843 804555595 /nfs/dbraw/zinc/55/55/95/804555595.db2.gz XTDLKTHMYYKGJS-HOTGVXAUSA-N 2 1 297.487 2.105 20 0 CEADMP CCCCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001268377443 804639470 /nfs/dbraw/zinc/63/94/70/804639470.db2.gz ARDXRNDFODVRTO-LSDHHAIUSA-N 2 1 283.460 2.145 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001284153009 804806269 /nfs/dbraw/zinc/80/62/69/804806269.db2.gz JIXXXWORVIUFJC-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CC/C=C\CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268729247 804946683 /nfs/dbraw/zinc/94/66/83/804946683.db2.gz CKTOXYKYRBOQQH-JLCCIEBKSA-N 2 1 295.471 2.119 20 0 CEADMP CC/C=C\CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268729247 804946675 /nfs/dbraw/zinc/94/66/75/804946675.db2.gz CKTOXYKYRBOQQH-JLCCIEBKSA-N 2 1 295.471 2.119 20 0 CEADMP CC/C=C\CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268729247 804946679 /nfs/dbraw/zinc/94/66/79/804946679.db2.gz CKTOXYKYRBOQQH-JLCCIEBKSA-N 2 1 295.471 2.119 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268945896 805009106 /nfs/dbraw/zinc/00/91/06/805009106.db2.gz ICFJXMDDRCYDSM-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001269049922 805033348 /nfs/dbraw/zinc/03/33/48/805033348.db2.gz BSYCQOXBJSQNCI-LSDHHAIUSA-N 2 1 295.471 2.001 20 0 CEADMP CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001269288215 805113836 /nfs/dbraw/zinc/11/38/36/805113836.db2.gz RRYKOECKCUUYRL-HZPDHXFCSA-N 2 1 297.487 2.440 20 0 CEADMP CC/C=C\CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001269297215 805118157 /nfs/dbraw/zinc/11/81/57/805118157.db2.gz VSMSNZDCTGXICO-XITLMJRVSA-N 2 1 295.471 2.216 20 0 CEADMP CC/C=C\CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001269297215 805118159 /nfs/dbraw/zinc/11/81/59/805118159.db2.gz VSMSNZDCTGXICO-XITLMJRVSA-N 2 1 295.471 2.216 20 0 CEADMP CC/C=C\CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001269297215 805118168 /nfs/dbraw/zinc/11/81/68/805118168.db2.gz VSMSNZDCTGXICO-XITLMJRVSA-N 2 1 295.471 2.216 20 0 CEADMP CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001270083689 805334127 /nfs/dbraw/zinc/33/41/27/805334127.db2.gz QMFINSKVIYXLAZ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001029003190 805424257 /nfs/dbraw/zinc/42/42/57/805424257.db2.gz IJLMMRBZIRINSI-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001029003190 805424263 /nfs/dbraw/zinc/42/42/63/805424263.db2.gz IJLMMRBZIRINSI-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001029003190 805424270 /nfs/dbraw/zinc/42/42/70/805424270.db2.gz IJLMMRBZIRINSI-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)OCCO1 ZINC001167963997 805443031 /nfs/dbraw/zinc/44/30/31/805443031.db2.gz JCSBYGXPIILGGG-MQVJKMGUSA-N 2 1 294.439 2.135 20 0 CEADMP CC[C@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973120 805503482 /nfs/dbraw/zinc/50/34/82/805503482.db2.gz HEUNIRVDXGYQOY-WZYMTQMTSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]1CC[C@@H](CO)[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167984348 805528742 /nfs/dbraw/zinc/52/87/42/805528742.db2.gz NJJJZCSAKMNSAB-ITPJMLCISA-N 2 1 278.440 2.237 20 0 CEADMP O[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167984768 805537342 /nfs/dbraw/zinc/53/73/42/805537342.db2.gz RGVWIWZWDQMSDX-FCLJQHQZSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167984768 805537346 /nfs/dbraw/zinc/53/73/46/805537346.db2.gz RGVWIWZWDQMSDX-FCLJQHQZSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167984768 805537354 /nfs/dbraw/zinc/53/73/54/805537354.db2.gz RGVWIWZWDQMSDX-FCLJQHQZSA-N 2 1 278.440 2.239 20 0 CEADMP CC[NH2+][C@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001029107679 805538925 /nfs/dbraw/zinc/53/89/25/805538925.db2.gz CVBVHQXRVMQICU-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CC[C@H](CO)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167985601 805543240 /nfs/dbraw/zinc/54/32/40/805543240.db2.gz YRQKTFCXEYQURS-KQBLMWHVSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1CC[C@H](CO)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167985601 805543242 /nfs/dbraw/zinc/54/32/42/805543242.db2.gz YRQKTFCXEYQURS-KQBLMWHVSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146004 807223075 /nfs/dbraw/zinc/22/30/75/807223075.db2.gz GINWSZHJDNZPCK-MLGOLLRUSA-N 2 1 280.387 2.233 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897932 807268008 /nfs/dbraw/zinc/26/80/08/807268008.db2.gz FJMYXZGFKIBUHO-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000716302811 815112294 /nfs/dbraw/zinc/11/22/94/815112294.db2.gz QXBLYHNOOPAHGL-RRFJBIMHSA-N 2 1 264.413 2.020 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256874 807536753 /nfs/dbraw/zinc/53/67/53/807536753.db2.gz SWRAPJAPTJTKLV-HOTGVXAUSA-N 2 1 295.471 2.003 20 0 CEADMP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)o2)CC1 ZINC001205102916 807638708 /nfs/dbraw/zinc/63/87/08/807638708.db2.gz WIDDMCULAFOYKL-CYBMUJFWSA-N 2 1 263.385 2.193 20 0 CEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)o2)CC1 ZINC001205102916 807638713 /nfs/dbraw/zinc/63/87/13/807638713.db2.gz WIDDMCULAFOYKL-CYBMUJFWSA-N 2 1 263.385 2.193 20 0 CEADMP C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000699283589 807672159 /nfs/dbraw/zinc/67/21/59/807672159.db2.gz VKGVEESYZNUSQN-WQGXVZNYSA-N 2 1 252.402 2.016 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](C2CCCC2)CC1 ZINC000699311205 807680253 /nfs/dbraw/zinc/68/02/53/807680253.db2.gz KETUXQDKCXUPOD-MQVJKMGUSA-N 2 1 277.456 2.077 20 0 CEADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089333619 807756127 /nfs/dbraw/zinc/75/61/27/807756127.db2.gz BJFGARGOTQTQFT-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089333619 807756130 /nfs/dbraw/zinc/75/61/30/807756130.db2.gz BJFGARGOTQTQFT-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089333619 807756134 /nfs/dbraw/zinc/75/61/34/807756134.db2.gz BJFGARGOTQTQFT-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171520038 815191547 /nfs/dbraw/zinc/19/15/47/815191547.db2.gz KXGDILQIXKDUNR-MWLCHTKSSA-N 2 1 286.341 2.488 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CC1CC1 ZINC001171586932 815192536 /nfs/dbraw/zinc/19/25/36/815192536.db2.gz WCFVLFBROOIMSQ-CQSZACIVSA-N 2 1 297.487 2.391 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](O)[C@H](F)CC2)CC1(C)C ZINC001171632192 815201869 /nfs/dbraw/zinc/20/18/69/815201869.db2.gz WKLUFNHWFOLILM-ZIAGYGMSSA-N 2 1 286.435 2.433 20 0 CEADMP C[N@H+]1CCC[C@@H]1CNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619805 815204963 /nfs/dbraw/zinc/20/49/63/815204963.db2.gz QXEIJNMAYXGQOH-CQSZACIVSA-N 2 1 267.461 2.322 20 0 CEADMP CN1CCC[C@@H]1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619805 815204965 /nfs/dbraw/zinc/20/49/65/815204965.db2.gz QXEIJNMAYXGQOH-CQSZACIVSA-N 2 1 267.461 2.322 20 0 CEADMP CC(=O)N1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@H]1C ZINC001171642767 815214846 /nfs/dbraw/zinc/21/48/46/815214846.db2.gz MRMNQNIMOBEFCV-CYBMUJFWSA-N 2 1 295.471 2.190 20 0 CEADMP CC(=O)N1CC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@H]1C ZINC001171642767 815214849 /nfs/dbraw/zinc/21/48/49/815214849.db2.gz MRMNQNIMOBEFCV-CYBMUJFWSA-N 2 1 295.471 2.190 20 0 CEADMP C[C@H]1C[C@H](n2ccnc2C(N)=[NH2+])C[N@H+]1Cc1ccccc1 ZINC001171729432 815219518 /nfs/dbraw/zinc/21/95/18/815219518.db2.gz UKABNYJJKCRXSP-JSGCOSHPSA-N 2 1 283.379 2.003 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC(CC)CC ZINC001171731366 815219684 /nfs/dbraw/zinc/21/96/84/815219684.db2.gz FAPIHMUZDUWROD-UHFFFAOYSA-N 2 1 285.476 2.250 20 0 CEADMP C[C@@H]1C[C@H](N2CCC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC001171743824 815222283 /nfs/dbraw/zinc/22/22/83/815222283.db2.gz CRVJQNKFSYRNOG-AEFFLSMTSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@@H]1C[C@H](N2CCC[N@H+](C)CC2)C[NH+]1Cc1ccccc1 ZINC001171743824 815222290 /nfs/dbraw/zinc/22/22/90/815222290.db2.gz CRVJQNKFSYRNOG-AEFFLSMTSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@@H]1C[C@H](N2CCC[N@@H+](C)CC2)C[NH+]1Cc1ccccc1 ZINC001171743824 815222298 /nfs/dbraw/zinc/22/22/98/815222298.db2.gz CRVJQNKFSYRNOG-AEFFLSMTSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@H]1C[C@H](n2cnc3c2C[NH2+]CC3)C[N@H+]1Cc1ccccc1 ZINC001171746704 815223412 /nfs/dbraw/zinc/22/34/12/815223412.db2.gz QZPSCOPHQIGVPM-HOCLYGCPSA-N 2 1 296.418 2.364 20 0 CEADMP C[C@@H]1C[C@H](N2CC[NH+]3CCC[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171754461 815225740 /nfs/dbraw/zinc/22/57/40/815225740.db2.gz DVWCWUBULWFRRO-NEWSRXKRSA-N 2 1 299.462 2.429 20 0 CEADMP C[C@@H]1C[C@H](N2CC[N@@H+]3CCC[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171754461 815225744 /nfs/dbraw/zinc/22/57/44/815225744.db2.gz DVWCWUBULWFRRO-NEWSRXKRSA-N 2 1 299.462 2.429 20 0 CEADMP C[C@@H]1C[C@H](N2CC[N@H+]3CCC[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171754461 815225747 /nfs/dbraw/zinc/22/57/47/815225747.db2.gz DVWCWUBULWFRRO-NEWSRXKRSA-N 2 1 299.462 2.429 20 0 CEADMP C[NH+](C)[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1(C)C ZINC001120519303 815233034 /nfs/dbraw/zinc/23/30/34/815233034.db2.gz HHIBDIWUMXPYCK-ILXRZTDVSA-N 2 1 262.397 2.038 20 0 CEADMP CC(C)OC1CC([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001116674508 808862821 /nfs/dbraw/zinc/86/28/21/808862821.db2.gz ABWBEVDPLQQPPG-NEXFUWMNSA-N 2 1 254.418 2.405 20 0 CEADMP C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963528 815253495 /nfs/dbraw/zinc/25/34/95/815253495.db2.gz HVEIOHIPAAAAPR-ZBFHGGJFSA-N 2 1 276.424 2.400 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001016334909 809011137 /nfs/dbraw/zinc/01/11/37/809011137.db2.gz XSCDCEVMENKWJN-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001016334909 809011129 /nfs/dbraw/zinc/01/11/29/809011129.db2.gz XSCDCEVMENKWJN-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001016334909 809011144 /nfs/dbraw/zinc/01/11/44/809011144.db2.gz XSCDCEVMENKWJN-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](C(C)C)C1 ZINC001033222773 809238303 /nfs/dbraw/zinc/23/83/03/809238303.db2.gz JHCZBZYQYYVWNR-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001033222773 809238306 /nfs/dbraw/zinc/23/83/06/809238306.db2.gz JHCZBZYQYYVWNR-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC001033222773 809238310 /nfs/dbraw/zinc/23/83/10/809238310.db2.gz JHCZBZYQYYVWNR-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223665 809239770 /nfs/dbraw/zinc/23/97/70/809239770.db2.gz SROKVTXEKNTEGI-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033223665 809239774 /nfs/dbraw/zinc/23/97/74/809239774.db2.gz SROKVTXEKNTEGI-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033223665 809239780 /nfs/dbraw/zinc/23/97/80/809239780.db2.gz SROKVTXEKNTEGI-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(F)(F)CNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001162233668 809253437 /nfs/dbraw/zinc/25/34/37/809253437.db2.gz BVPJRAIDBPERNX-UHFFFAOYSA-N 2 1 266.295 2.088 20 0 CEADMP CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033353934 809277575 /nfs/dbraw/zinc/27/75/75/809277575.db2.gz KDVBSBRAUBNOFB-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033353934 809277580 /nfs/dbraw/zinc/27/75/80/809277580.db2.gz KDVBSBRAUBNOFB-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033353934 809277583 /nfs/dbraw/zinc/27/75/83/809277583.db2.gz KDVBSBRAUBNOFB-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033353938 809278195 /nfs/dbraw/zinc/27/81/95/809278195.db2.gz KDVBSBRAUBNOFB-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033353938 809278198 /nfs/dbraw/zinc/27/81/98/809278198.db2.gz KDVBSBRAUBNOFB-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033353938 809278200 /nfs/dbraw/zinc/27/82/00/809278200.db2.gz KDVBSBRAUBNOFB-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C12CCC2 ZINC000700790893 809347679 /nfs/dbraw/zinc/34/76/79/809347679.db2.gz HGZYLLYRENMPCY-SOUVJXGZSA-N 2 1 266.429 2.266 20 0 CEADMP C[NH+]1CCC2(C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)CC1 ZINC001172127931 815286655 /nfs/dbraw/zinc/28/66/55/815286655.db2.gz LUOIQPUFTINZCA-ZSHCYNCHSA-N 3 1 277.456 2.029 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3(C1)CC[NH+](C)CC3)C2 ZINC001172127931 815286657 /nfs/dbraw/zinc/28/66/57/815286657.db2.gz LUOIQPUFTINZCA-ZSHCYNCHSA-N 2 1 277.456 2.029 20 0 CEADMP CC[N@H+](CCn1cccn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127057 815288010 /nfs/dbraw/zinc/28/80/10/815288010.db2.gz GCMOBAAWMVDWAC-MUJYYYPQSA-N 2 1 276.428 2.220 20 0 CEADMP CC[N@@H+](CCn1cccn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127057 815288015 /nfs/dbraw/zinc/28/80/15/815288015.db2.gz GCMOBAAWMVDWAC-MUJYYYPQSA-N 2 1 276.428 2.220 20 0 CEADMP CC[NH+](CCn1cccn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172127057 815288020 /nfs/dbraw/zinc/28/80/20/815288020.db2.gz GCMOBAAWMVDWAC-MUJYYYPQSA-N 2 1 276.428 2.220 20 0 CEADMP CC[NH+](CCn1cccn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172127057 815288024 /nfs/dbraw/zinc/28/80/24/815288024.db2.gz GCMOBAAWMVDWAC-MUJYYYPQSA-N 2 1 276.428 2.220 20 0 CEADMP CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033826851 809429090 /nfs/dbraw/zinc/42/90/90/809429090.db2.gz VWCPLVXSTPVQQT-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033826851 809429096 /nfs/dbraw/zinc/42/90/96/809429096.db2.gz VWCPLVXSTPVQQT-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCCCO1)C2 ZINC001172103505 815293760 /nfs/dbraw/zinc/29/37/60/815293760.db2.gz VPATYSHCLFWNSG-XGUBFFRZSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCCCO1)C2 ZINC001172103506 815293881 /nfs/dbraw/zinc/29/38/81/815293881.db2.gz VPATYSHCLFWNSG-XQLPTFJDSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1CCOc3ccccc31)C2 ZINC000702063717 809491906 /nfs/dbraw/zinc/49/19/06/809491906.db2.gz GJNZWOYOAMUPMX-GRDNDAEWSA-N 2 1 272.392 2.094 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCC(C)(C)CO)C2 ZINC001172102009 815294225 /nfs/dbraw/zinc/29/42/25/815294225.db2.gz JFTWVROGHYHTKQ-QKDCVEJESA-N 2 1 268.445 2.390 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@]1(C)CCOC1)C2 ZINC001172109468 815298054 /nfs/dbraw/zinc/29/80/54/815298054.db2.gz HALAIYAAMGHPBA-APIJFGDWSA-N 2 1 252.402 2.018 20 0 CEADMP CCCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034216486 809553710 /nfs/dbraw/zinc/55/37/10/809553710.db2.gz HFISVNRMUGAEEV-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034216486 809553711 /nfs/dbraw/zinc/55/37/11/809553711.db2.gz HFISVNRMUGAEEV-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034216486 809553714 /nfs/dbraw/zinc/55/37/14/809553714.db2.gz HFISVNRMUGAEEV-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1C[NH+](C(C)(C)C)C1)C2 ZINC001172110072 815300519 /nfs/dbraw/zinc/30/05/19/815300519.db2.gz JMRMEZATSONWKI-YOWGUQMCSA-N 2 1 265.445 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1C[NH+](C(C)(C)C)C1)C2 ZINC001172110072 815300527 /nfs/dbraw/zinc/30/05/27/815300527.db2.gz JMRMEZATSONWKI-YOWGUQMCSA-N 2 1 265.445 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@]1(C)CCOC1)C2 ZINC001172109475 815298794 /nfs/dbraw/zinc/29/87/94/815298794.db2.gz HALAIYAAMGHPBA-LXTVHRRPSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1ccc(O)cc1)C2 ZINC001172107906 815298812 /nfs/dbraw/zinc/29/88/12/815298812.db2.gz LLACQJMOPQAKRP-PNBKFKSVSA-N 2 1 290.407 2.031 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cnc(Cl)cn1)C2 ZINC001172110426 815299603 /nfs/dbraw/zinc/29/96/03/815299603.db2.gz MTGWENCEUUTKKM-UOJUARBOSA-N 2 1 280.803 2.235 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cnc(Cl)cn1)C2 ZINC001172110426 815299604 /nfs/dbraw/zinc/29/96/04/815299604.db2.gz MTGWENCEUUTKKM-UOJUARBOSA-N 2 1 280.803 2.235 20 0 CEADMP CCCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702654421 809573746 /nfs/dbraw/zinc/57/37/46/809573746.db2.gz VRVLYODGIQYAJX-INIZCTEOSA-N 2 1 262.397 2.013 20 0 CEADMP CCCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702654421 809573753 /nfs/dbraw/zinc/57/37/53/809573753.db2.gz VRVLYODGIQYAJX-INIZCTEOSA-N 2 1 262.397 2.013 20 0 CEADMP CC[NH+](CC)CC[C@H](C)Nc1cc(CO)cc(C)[nH+]1 ZINC001120954988 815300730 /nfs/dbraw/zinc/30/07/30/815300730.db2.gz GYQAOINXLWABMZ-LBPRGKRZSA-N 2 1 265.401 2.415 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3nccn3c1)C2 ZINC001172115348 815302407 /nfs/dbraw/zinc/30/24/07/815302407.db2.gz WNILTRMITYTRQS-MUJYYYPQSA-N 2 1 284.407 2.439 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000703017872 809610464 /nfs/dbraw/zinc/61/04/64/809610464.db2.gz MVPJZGQULGKZFZ-WLYUNCDWSA-N 2 1 254.418 2.002 20 0 CEADMP COCC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172114223 815303248 /nfs/dbraw/zinc/30/32/48/815303248.db2.gz PNCAYYKOHRYGLH-MUJYYYPQSA-N 2 1 266.429 2.360 20 0 CEADMP COCC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172114223 815303253 /nfs/dbraw/zinc/30/32/53/815303253.db2.gz PNCAYYKOHRYGLH-MUJYYYPQSA-N 2 1 266.429 2.360 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034486659 809619571 /nfs/dbraw/zinc/61/95/71/809619571.db2.gz CENCCROLYAKRCA-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034486659 809619577 /nfs/dbraw/zinc/61/95/77/809619577.db2.gz CENCCROLYAKRCA-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034486659 809619582 /nfs/dbraw/zinc/61/95/82/809619582.db2.gz CENCCROLYAKRCA-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@@]1(C)O ZINC001172116077 815306216 /nfs/dbraw/zinc/30/62/16/815306216.db2.gz AUPMIVOWXIGGPQ-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@@]1(C)O ZINC001172116077 815306220 /nfs/dbraw/zinc/30/62/20/815306220.db2.gz AUPMIVOWXIGGPQ-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[C@@]1(C)O ZINC001172116077 815306225 /nfs/dbraw/zinc/30/62/25/815306225.db2.gz AUPMIVOWXIGGPQ-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[C@@]1(C)O ZINC001172116077 815306230 /nfs/dbraw/zinc/30/62/30/815306230.db2.gz AUPMIVOWXIGGPQ-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1C[C@@H]3C[C@@H]3[C@@H](F)C1)C2 ZINC001172120664 815308704 /nfs/dbraw/zinc/30/87/04/815308704.db2.gz LJCQQQVPCQWYQL-LOVFCKMRSA-N 2 1 252.377 2.292 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1COC(C)(C)C1)C2 ZINC001172119265 815310206 /nfs/dbraw/zinc/31/02/06/815310206.db2.gz XINDGONXFJABAE-SYQHCUMBSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1COC(C)(C)C1)C2 ZINC001172119265 815310213 /nfs/dbraw/zinc/31/02/13/815310213.db2.gz XINDGONXFJABAE-SYQHCUMBSA-N 2 1 252.402 2.159 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H](C)[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121651 815312167 /nfs/dbraw/zinc/31/21/67/815312167.db2.gz RUVRXXCUVBSITM-DGXTUMSLSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H](C)[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121651 815312174 /nfs/dbraw/zinc/31/21/74/815312174.db2.gz RUVRXXCUVBSITM-DGXTUMSLSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H](C)[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172121651 815312180 /nfs/dbraw/zinc/31/21/80/815312180.db2.gz RUVRXXCUVBSITM-DGXTUMSLSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H](C)[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121651 815312184 /nfs/dbraw/zinc/31/21/84/815312184.db2.gz RUVRXXCUVBSITM-DGXTUMSLSA-N 2 1 294.439 2.275 20 0 CEADMP CC[N@H+](CCCC(=O)OC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121693 815312286 /nfs/dbraw/zinc/31/22/86/815312286.db2.gz SUFIKVBVXVDYHX-FICVDOATSA-N 2 1 282.428 2.277 20 0 CEADMP CC[N@@H+](CCCC(=O)OC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121693 815312290 /nfs/dbraw/zinc/31/22/90/815312290.db2.gz SUFIKVBVXVDYHX-FICVDOATSA-N 2 1 282.428 2.277 20 0 CEADMP CC[NH+](CCCC(=O)OC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121693 815312296 /nfs/dbraw/zinc/31/22/96/815312296.db2.gz SUFIKVBVXVDYHX-FICVDOATSA-N 2 1 282.428 2.277 20 0 CEADMP CC[NH+](CCCC(=O)OC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121693 815312302 /nfs/dbraw/zinc/31/23/02/815312302.db2.gz SUFIKVBVXVDYHX-FICVDOATSA-N 2 1 282.428 2.277 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCc3cccnc3C1)C2 ZINC001172123429 815315848 /nfs/dbraw/zinc/31/58/48/815315848.db2.gz CVMPUYSVGRRWNW-MUJYYYPQSA-N 2 1 271.408 2.455 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3cccnc3C1)C2 ZINC001172123429 815315865 /nfs/dbraw/zinc/31/58/65/815315865.db2.gz CVMPUYSVGRRWNW-MUJYYYPQSA-N 2 1 271.408 2.455 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3cccnc3C1)C2 ZINC001172123429 815315868 /nfs/dbraw/zinc/31/58/68/815315868.db2.gz CVMPUYSVGRRWNW-MUJYYYPQSA-N 2 1 271.408 2.455 20 0 CEADMP CCC[N@@H+](C[C@H]1CC(C)(C)CO1)C1CC[NH2+]CC1 ZINC000708348710 809927238 /nfs/dbraw/zinc/92/72/38/809927238.db2.gz OEHBUPWQKXZKIU-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH+](C)C1(C)CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000709797162 809970329 /nfs/dbraw/zinc/97/03/29/809970329.db2.gz POLLGGFNGHNTHB-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP FC1(F)CC[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000709809820 809970642 /nfs/dbraw/zinc/97/06/42/809970642.db2.gz UAHUPTRYYNTWBY-OLZOCXBDSA-N 2 1 258.356 2.497 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)OC1 ZINC000709848569 809972991 /nfs/dbraw/zinc/97/29/91/809972991.db2.gz JIYWPPZQKVBEFU-GDBMZVCRSA-N 2 1 266.429 2.267 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709869043 809974374 /nfs/dbraw/zinc/97/43/74/809974374.db2.gz SJJJIHKVBSCWSY-WCVJEAGWSA-N 2 1 264.413 2.020 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000709902427 809975397 /nfs/dbraw/zinc/97/53/97/809975397.db2.gz CBXNGJKWRVBEHK-KRWDZBQOSA-N 2 1 274.408 2.449 20 0 CEADMP FC(F)(F)SCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709995281 809978189 /nfs/dbraw/zinc/97/81/89/809978189.db2.gz GSGMOMNTGJYAKZ-JTQLQIEISA-N 2 1 268.348 2.315 20 0 CEADMP FC(F)(F)SCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709995281 809978192 /nfs/dbraw/zinc/97/81/92/809978192.db2.gz GSGMOMNTGJYAKZ-JTQLQIEISA-N 2 1 268.348 2.315 20 0 CEADMP CC(C)[N@H+](C1C[C@@H]2C=C[C@H](C1)O2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172235011 815336872 /nfs/dbraw/zinc/33/68/72/815336872.db2.gz RRKMXSSSJLAOBA-NGEFAJANSA-N 2 1 264.413 2.453 20 0 CEADMP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)OC1 ZINC000711278798 810055188 /nfs/dbraw/zinc/05/51/88/810055188.db2.gz VEOVTHKIIQJNNU-HNNXBMFYSA-N 2 1 266.429 2.408 20 0 CEADMP FC[C@@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000711415045 810069256 /nfs/dbraw/zinc/06/92/56/810069256.db2.gz JKWSIQOIOZVLBB-JTQLQIEISA-N 2 1 254.374 2.185 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C[NH3+] ZINC000923383052 810090428 /nfs/dbraw/zinc/09/04/28/810090428.db2.gz PLHIUARCMVWWRW-RGQNTSTHSA-N 3 1 279.472 2.212 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000711849996 810100176 /nfs/dbraw/zinc/10/01/76/810100176.db2.gz YYHFVEBZQQVONM-KBMXLJTQSA-N 2 1 266.429 2.123 20 0 CEADMP Cc1cccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1C ZINC000923506913 810104379 /nfs/dbraw/zinc/10/43/79/810104379.db2.gz HILGMRNTZNGWFE-UKRRQHHQSA-N 2 1 289.423 2.159 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172226947 815341118 /nfs/dbraw/zinc/34/11/18/815341118.db2.gz LBOYODMBDKTNTP-GOOCMWNKSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)C1 ZINC001173274439 815647624 /nfs/dbraw/zinc/64/76/24/815647624.db2.gz QFSMQXDFSPHIKP-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1O ZINC001206163461 815349402 /nfs/dbraw/zinc/34/94/02/815349402.db2.gz CIKTZQLIXFZJAH-OLZOCXBDSA-N 2 1 282.359 2.052 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1O ZINC001206163461 815349408 /nfs/dbraw/zinc/34/94/08/815349408.db2.gz CIKTZQLIXFZJAH-OLZOCXBDSA-N 2 1 282.359 2.052 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CC[C@@](C)(CF)C2)CC1 ZINC001172252701 815358054 /nfs/dbraw/zinc/35/80/54/815358054.db2.gz RWCBBDPFYSFRBR-HNNXBMFYSA-N 2 1 272.408 2.169 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CC[C@@](C)(CF)C2)CC1 ZINC001172252701 815358061 /nfs/dbraw/zinc/35/80/61/815358061.db2.gz RWCBBDPFYSFRBR-HNNXBMFYSA-N 2 1 272.408 2.169 20 0 CEADMP COCCC[NH+]1CCC([NH2+][C@H]2CCc3ncccc32)CC1 ZINC001172247412 815358130 /nfs/dbraw/zinc/35/81/30/815358130.db2.gz JMUAEFUZJIPFAW-KRWDZBQOSA-N 2 1 289.423 2.159 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](O)CC[C@H]1C ZINC001258907620 810682620 /nfs/dbraw/zinc/68/26/20/810682620.db2.gz LKTFYEXMIGFYIJ-RRFJBIMHSA-N 2 1 256.434 2.342 20 0 CEADMP C(c1ccccc1C[NH+]1CCOCC1)=C1CC[NH2+]CC1 ZINC001240877484 810811085 /nfs/dbraw/zinc/81/10/85/810811085.db2.gz XCTDZJLCRUFERV-UHFFFAOYSA-N 2 1 272.392 2.286 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)s1 ZINC001206304163 816565649 /nfs/dbraw/zinc/56/56/49/816565649.db2.gz GQINTHKXIZFHDF-CYBMUJFWSA-N 2 1 253.415 2.402 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1C(C)C ZINC001085688102 810877460 /nfs/dbraw/zinc/87/74/60/810877460.db2.gz BDVXKJJZQZCALS-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1C(C)C ZINC001085688102 810877469 /nfs/dbraw/zinc/87/74/69/810877469.db2.gz BDVXKJJZQZCALS-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1C(C)C ZINC001085688102 810877473 /nfs/dbraw/zinc/87/74/73/810877473.db2.gz BDVXKJJZQZCALS-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP CCOCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172417221 815414033 /nfs/dbraw/zinc/41/40/33/815414033.db2.gz SRYQPMAPUGMHGS-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP CCOCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172417221 815414036 /nfs/dbraw/zinc/41/40/36/815414036.db2.gz SRYQPMAPUGMHGS-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C(C)C)[NH+](C)C ZINC001039658245 811057087 /nfs/dbraw/zinc/05/70/87/811057087.db2.gz BULFFUIPLLMZTI-XHSDSOJGSA-N 2 1 295.471 2.046 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)C[NH+](C)C ZINC000381901367 811098713 /nfs/dbraw/zinc/09/87/13/811098713.db2.gz WOYMLPDOVYUFPM-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)C[NH+](C)C ZINC000381901367 811098721 /nfs/dbraw/zinc/09/87/21/811098721.db2.gz WOYMLPDOVYUFPM-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP CC[C@H](CC(C)C)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001172389100 815424917 /nfs/dbraw/zinc/42/49/17/815424917.db2.gz LEACSFOTCVQLJE-CHWSQXEVSA-N 2 1 258.406 2.071 20 0 CEADMP CC[C@H](CC(C)C)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001172395473 815427157 /nfs/dbraw/zinc/42/71/57/815427157.db2.gz MFHGFMYQTWFVFZ-OAHLLOKOSA-N 2 1 255.450 2.038 20 0 CEADMP CC(C)COCC[C@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172478475 815431856 /nfs/dbraw/zinc/43/18/56/815431856.db2.gz AQKITOKTYBWKDS-AWEZNQCLSA-N 2 1 265.401 2.192 20 0 CEADMP CC(C)COCC[C@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172478475 815431858 /nfs/dbraw/zinc/43/18/58/815431858.db2.gz AQKITOKTYBWKDS-AWEZNQCLSA-N 2 1 265.401 2.192 20 0 CEADMP CC(C)COCC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172484495 815434401 /nfs/dbraw/zinc/43/44/01/815434401.db2.gz QOSGTVMLLGJLQA-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169098086 811369272 /nfs/dbraw/zinc/36/92/72/811369272.db2.gz FQVCSZMVSDSJRE-MUJYYYPQSA-N 2 1 274.408 2.453 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cn3ccccc3n1)C2 ZINC001169098947 811370193 /nfs/dbraw/zinc/37/01/93/811370193.db2.gz MRWWAODLYFMTMK-PHZGNYQRSA-N 2 1 284.407 2.092 20 0 CEADMP C[C@H](C[NH+]1CCC(C)CC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099593 811370997 /nfs/dbraw/zinc/37/09/97/811370997.db2.gz CDXGVWDBYUQKRN-WCXIOVBPSA-N 2 1 279.472 2.322 20 0 CEADMP Cc1ccnc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169102331 811376045 /nfs/dbraw/zinc/37/60/45/811376045.db2.gz ZUJMHZCPAPHFFM-MUJYYYPQSA-N 2 1 259.397 2.147 20 0 CEADMP COc1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169082058 811380893 /nfs/dbraw/zinc/38/08/93/811380893.db2.gz XMVSUADAMVQDIY-QKDCVEJESA-N 2 1 260.381 2.410 20 0 CEADMP COc1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169082058 811380901 /nfs/dbraw/zinc/38/09/01/811380901.db2.gz XMVSUADAMVQDIY-QKDCVEJESA-N 2 1 260.381 2.410 20 0 CEADMP CC[C@H](C)C[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001043520154 811381607 /nfs/dbraw/zinc/38/16/07/811381607.db2.gz KFMWRDQWAQKIIP-AWEZNQCLSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169092277 811382094 /nfs/dbraw/zinc/38/20/94/811382094.db2.gz AZYMLVGFWDFXAS-PHZGNYQRSA-N 2 1 265.445 2.074 20 0 CEADMP CC(C)c1nc(CC[N@H+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)no1 ZINC001169125583 811391549 /nfs/dbraw/zinc/39/15/49/811391549.db2.gz JMDYIWGZGSEXOH-BTTYYORXSA-N 2 1 292.427 2.293 20 0 CEADMP CC(C)c1nc(CC[N@@H+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)no1 ZINC001169125583 811391561 /nfs/dbraw/zinc/39/15/61/811391561.db2.gz JMDYIWGZGSEXOH-BTTYYORXSA-N 2 1 292.427 2.293 20 0 CEADMP CC(C)c1nc(CC[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC001169125583 811391575 /nfs/dbraw/zinc/39/15/75/811391575.db2.gz JMDYIWGZGSEXOH-BTTYYORXSA-N 2 1 292.427 2.293 20 0 CEADMP CC(C)c1nc(CC[NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC001169125583 811391582 /nfs/dbraw/zinc/39/15/82/811391582.db2.gz JMDYIWGZGSEXOH-BTTYYORXSA-N 2 1 292.427 2.293 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3nccn3c1)C2 ZINC001169125225 811391905 /nfs/dbraw/zinc/39/19/05/811391905.db2.gz WPQMPYRSGHPBSF-QKDCVEJESA-N 2 1 270.380 2.049 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3nccn3c1)C2 ZINC001169125225 811391910 /nfs/dbraw/zinc/39/19/10/811391910.db2.gz WPQMPYRSGHPBSF-QKDCVEJESA-N 2 1 270.380 2.049 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCC(=O)c1cccnc1)C2 ZINC001169124358 811392150 /nfs/dbraw/zinc/39/21/50/811392150.db2.gz QIAJQFDKEKLBPG-MUJYYYPQSA-N 2 1 287.407 2.259 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCC(=O)c1cccnc1)C2 ZINC001169124358 811392158 /nfs/dbraw/zinc/39/21/58/811392158.db2.gz QIAJQFDKEKLBPG-MUJYYYPQSA-N 2 1 287.407 2.259 20 0 CEADMP CC(C)COCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001172456685 815444816 /nfs/dbraw/zinc/44/48/16/815444816.db2.gz HFENTIWTNJDHLD-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ccc(O)cc3C1)C2 ZINC001169108329 811404199 /nfs/dbraw/zinc/40/41/99/811404199.db2.gz RDMMEKVGPCPNAA-VQHPVUNQSA-N 2 1 286.419 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](c3cccnc3)C1)C2 ZINC001169141346 811407806 /nfs/dbraw/zinc/40/78/06/811407806.db2.gz PWBFPQDMKOVWHT-NXOAAHMSSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H](c3cccnc3)C1)C2 ZINC001169141346 811407812 /nfs/dbraw/zinc/40/78/12/811407812.db2.gz PWBFPQDMKOVWHT-NXOAAHMSSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H](c3cccnc3)C1)C2 ZINC001169141346 811407816 /nfs/dbraw/zinc/40/78/16/811407816.db2.gz PWBFPQDMKOVWHT-NXOAAHMSSA-N 2 1 271.408 2.496 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](c3cccnc3)C1)C2 ZINC001169141348 811408874 /nfs/dbraw/zinc/40/88/74/811408874.db2.gz PWBFPQDMKOVWHT-WCXIOVBPSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H](c3cccnc3)C1)C2 ZINC001169141348 811408880 /nfs/dbraw/zinc/40/88/80/811408880.db2.gz PWBFPQDMKOVWHT-WCXIOVBPSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H](c3cccnc3)C1)C2 ZINC001169141348 811408886 /nfs/dbraw/zinc/40/88/86/811408886.db2.gz PWBFPQDMKOVWHT-WCXIOVBPSA-N 2 1 271.408 2.496 20 0 CEADMP CC[N@@H+](C)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169155066 811415339 /nfs/dbraw/zinc/41/53/39/811415339.db2.gz WZSHSAKTXODUFX-MUJYYYPQSA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+](C)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169155066 811415341 /nfs/dbraw/zinc/41/53/41/811415341.db2.gz WZSHSAKTXODUFX-MUJYYYPQSA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+](C)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169155066 811415346 /nfs/dbraw/zinc/41/53/46/811415346.db2.gz WZSHSAKTXODUFX-MUJYYYPQSA-N 2 1 265.445 2.028 20 0 CEADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(=NOCC[NH3+])[nH]c1 ZINC001156293351 811480653 /nfs/dbraw/zinc/48/06/53/811480653.db2.gz IMKPKVDVDBMQCA-CQSZACIVSA-N 2 1 278.400 2.321 20 0 CEADMP CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001045099823 811574592 /nfs/dbraw/zinc/57/45/92/811574592.db2.gz NSAWCOBVPRBODH-HNNXBMFYSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cc(O)c(F)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001206013232 811587511 /nfs/dbraw/zinc/58/75/11/811587511.db2.gz QQKZLLRVDXMXRS-ZYHUDNBSSA-N 2 1 284.350 2.477 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(O)c(F)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001206013232 811587516 /nfs/dbraw/zinc/58/75/16/811587516.db2.gz QQKZLLRVDXMXRS-ZYHUDNBSSA-N 2 1 284.350 2.477 20 0 CEADMP CCOC(=O)N1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)CC1 ZINC001169652395 811606601 /nfs/dbraw/zinc/60/66/01/811606601.db2.gz OWUYUJKHCUMCON-HUUCEWRRSA-N 2 1 297.443 2.071 20 0 CEADMP Cn1ccc2c1[nH+]ccc2-n1cc(CC[NH3+])c2ncccc21 ZINC001169708769 811636025 /nfs/dbraw/zinc/63/60/25/811636025.db2.gz DSXLTSJOVMEGDR-UHFFFAOYSA-N 2 1 291.358 2.413 20 0 CEADMP Cc1cc(N(C)C)[nH+]cc1-n1cc(CC[NH3+])c2ncccc21 ZINC001169708615 811636049 /nfs/dbraw/zinc/63/60/49/811636049.db2.gz MJAYRFOUYRCLKX-UHFFFAOYSA-N 2 1 295.390 2.296 20 0 CEADMP CC(C)[N@@H+](C1CCN(C)CC1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169962341 811726247 /nfs/dbraw/zinc/72/62/47/811726247.db2.gz PZTSDPJHWLBNIS-MRXNPFEDSA-N 2 1 296.455 2.477 20 0 CEADMP CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046329698 811736826 /nfs/dbraw/zinc/73/68/26/811736826.db2.gz CLTAEKKBSPTGRH-ZMSDIMECSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046329698 811736828 /nfs/dbraw/zinc/73/68/28/811736828.db2.gz CLTAEKKBSPTGRH-ZMSDIMECSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046329698 811736831 /nfs/dbraw/zinc/73/68/31/811736831.db2.gz CLTAEKKBSPTGRH-ZMSDIMECSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+](C)C1CC[NH+]([C@H]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001172632420 815479513 /nfs/dbraw/zinc/47/95/13/815479513.db2.gz JOFQYALXFRTIQC-HIFRSBDPSA-N 2 1 282.428 2.134 20 0 CEADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001172632420 815479515 /nfs/dbraw/zinc/47/95/15/815479515.db2.gz JOFQYALXFRTIQC-HIFRSBDPSA-N 2 1 282.428 2.134 20 0 CEADMP C[N@@H+](CCO)CCC[NH2+]C1CCC2(CCCC2)CC1 ZINC001172729261 815495778 /nfs/dbraw/zinc/49/57/78/815495778.db2.gz UMXOASVGSHUXTK-UHFFFAOYSA-N 2 1 268.445 2.393 20 0 CEADMP CC(C)[C@H](O)C[NH2+][C@H](CC[NH+](C)C)c1ccccc1 ZINC001253778536 812041911 /nfs/dbraw/zinc/04/19/11/812041911.db2.gz SPRCYAXSKPFFLL-HZPDHXFCSA-N 2 1 264.413 2.286 20 0 CEADMP [NH3+]CCc1c[nH+]cn1[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172706856 815503289 /nfs/dbraw/zinc/50/32/89/815503289.db2.gz LIWFCHWBGDNFSS-CQSZACIVSA-N 2 1 261.756 2.378 20 0 CEADMP CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571941 812169011 /nfs/dbraw/zinc/16/90/11/812169011.db2.gz IHANVLHMPHSJOV-HOTGVXAUSA-N 2 1 298.390 2.033 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172767741 815513594 /nfs/dbraw/zinc/51/35/94/815513594.db2.gz KJPIUXLMKGRUEA-ZIAGYGMSSA-N 2 1 270.417 2.169 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(=O)OC)CC2)CC1 ZINC001172767643 815513815 /nfs/dbraw/zinc/51/38/15/815513815.db2.gz IYNKDTYHBNJJDC-UONOGXRCSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)C1 ZINC001170134299 812210195 /nfs/dbraw/zinc/21/01/95/812210195.db2.gz AFUFSPXWPHDWPR-CHWSQXEVSA-N 2 1 265.401 2.305 20 0 CEADMP CCC/C=C\CC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001113686832 812302035 /nfs/dbraw/zinc/30/20/35/812302035.db2.gz XLOHKUVSVMXMFX-FPLPWBNLSA-N 2 1 295.471 2.217 20 0 CEADMP CCC/C=C\CC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113686832 812302045 /nfs/dbraw/zinc/30/20/45/812302045.db2.gz XLOHKUVSVMXMFX-FPLPWBNLSA-N 2 1 295.471 2.217 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CCO1 ZINC001170176289 812324161 /nfs/dbraw/zinc/32/41/61/812324161.db2.gz VHIBKKMWECZGQE-XGUBFFRZSA-N 2 1 254.418 2.406 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CCO1 ZINC001170181922 812327198 /nfs/dbraw/zinc/32/71/98/812327198.db2.gz KPYANCQCTBTARY-LSDHHAIUSA-N 3 1 299.503 2.419 20 0 CEADMP CC[C@@H]1C[C@@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CCO1 ZINC001170214621 812339173 /nfs/dbraw/zinc/33/91/73/812339173.db2.gz ROLLRONKIQANQS-JKSUJKDBSA-N 2 1 278.440 2.362 20 0 CEADMP CC[C@@H]1C[C@@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CCO1 ZINC001170214621 812339179 /nfs/dbraw/zinc/33/91/79/812339179.db2.gz ROLLRONKIQANQS-JKSUJKDBSA-N 2 1 278.440 2.362 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+](C)C2CC[NH+](CC)CC2)CCO1 ZINC001170229598 812361995 /nfs/dbraw/zinc/36/19/95/812361995.db2.gz ZMWNKHBNBFBGAK-HUUCEWRRSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1C[C@H]([N@@H+](C)C2CC[NH+](CC)CC2)CCO1 ZINC001170229598 812362001 /nfs/dbraw/zinc/36/20/01/812362001.db2.gz ZMWNKHBNBFBGAK-HUUCEWRRSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@H](Cc1ccccc1Cl)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001170254365 812373764 /nfs/dbraw/zinc/37/37/64/812373764.db2.gz HHNBTNDMIBIYSN-DGCLKSJQSA-N 2 1 293.798 2.202 20 0 CEADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762685 812457517 /nfs/dbraw/zinc/45/75/17/812457517.db2.gz AOHYTUXKUCYDKA-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052762685 812457518 /nfs/dbraw/zinc/45/75/18/812457518.db2.gz AOHYTUXKUCYDKA-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052762685 812457520 /nfs/dbraw/zinc/45/75/20/812457520.db2.gz AOHYTUXKUCYDKA-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](C(C)C)CC1 ZINC001052956542 812478121 /nfs/dbraw/zinc/47/81/21/812478121.db2.gz UQAPANOWULWZOT-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC001052956542 812478125 /nfs/dbraw/zinc/47/81/25/812478125.db2.gz UQAPANOWULWZOT-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC001052956542 812478129 /nfs/dbraw/zinc/47/81/29/812478129.db2.gz UQAPANOWULWZOT-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC1CCCCC1 ZINC001129846905 812514193 /nfs/dbraw/zinc/51/41/93/812514193.db2.gz VDJYHTRYEOAEEU-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199527 812548285 /nfs/dbraw/zinc/54/82/85/812548285.db2.gz YXEWFGKHQCWMID-RDJZCZTQSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CCCCCC1 ZINC001130300634 812555745 /nfs/dbraw/zinc/55/57/45/812555745.db2.gz SSCQKVLGXQFUNH-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130710753 812599208 /nfs/dbraw/zinc/59/92/08/812599208.db2.gz CWYXNQPNVYRRHV-INIZCTEOSA-N 2 1 297.487 2.249 20 0 CEADMP CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001054826748 812653909 /nfs/dbraw/zinc/65/39/09/812653909.db2.gz NSTXSZDZKRWVSK-ZFWWWQNUSA-N 2 1 295.471 2.096 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C1 ZINC001172925126 815547028 /nfs/dbraw/zinc/54/70/28/815547028.db2.gz CYXRQUVGJQIMDY-HUUCEWRRSA-N 3 1 299.503 2.419 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132110204 812789454 /nfs/dbraw/zinc/78/94/54/812789454.db2.gz FJDFHEJKUNPYDA-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132110204 812789460 /nfs/dbraw/zinc/78/94/60/812789460.db2.gz FJDFHEJKUNPYDA-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132110204 812789465 /nfs/dbraw/zinc/78/94/65/812789465.db2.gz FJDFHEJKUNPYDA-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277088 812818007 /nfs/dbraw/zinc/81/80/07/812818007.db2.gz ARMPTYCJOHEJCX-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP Cn1ccccc1=[N+](CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001170629535 812934036 /nfs/dbraw/zinc/93/40/36/812934036.db2.gz JVRFTMZFRPWHIN-UHFFFAOYSA-N 2 1 286.443 2.245 20 0 CEADMP COc1cccc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206187048 815567858 /nfs/dbraw/zinc/56/78/58/815567858.db2.gz SQGAEKSROWTQKL-KBPBESRZSA-N 2 1 266.360 2.265 20 0 CEADMP CN1CCC[C@@H]2C[N@H+]([C@H]3CCc4ncsc4C3)C[C@@H]21 ZINC001173143079 815601877 /nfs/dbraw/zinc/60/18/77/815601877.db2.gz YXVRIQGYWXRJTB-DYEKYZERSA-N 2 1 277.437 2.026 20 0 CEADMP CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071953861 813519059 /nfs/dbraw/zinc/51/90/59/813519059.db2.gz GPKDXWQFDYQPRO-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CN(c2cc[nH+]c(CO)c2)CC[N@H+]1Cc1ccccc1 ZINC000396368418 813566219 /nfs/dbraw/zinc/56/62/19/813566219.db2.gz PXGUUROYFCLAMJ-OAHLLOKOSA-N 2 1 297.402 2.285 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000396564938 813573544 /nfs/dbraw/zinc/57/35/44/813573544.db2.gz JNMJIULYLRQCED-JQHSSLGASA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnn1C ZINC000398038049 813653175 /nfs/dbraw/zinc/65/31/75/813653175.db2.gz QQLAFYHHZRHGEW-YJBOKZPZSA-N 2 1 298.434 2.420 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnn1C ZINC000398038049 813653179 /nfs/dbraw/zinc/65/31/79/813653179.db2.gz QQLAFYHHZRHGEW-YJBOKZPZSA-N 2 1 298.434 2.420 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246097957 813686653 /nfs/dbraw/zinc/68/66/53/813686653.db2.gz QBGWTXLKHXYYRJ-XGUBFFRZSA-N 3 1 253.434 2.027 20 0 CEADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246113119 813704561 /nfs/dbraw/zinc/70/45/61/813704561.db2.gz RZUXXGOAUGCDQP-KKUMJFAQSA-N 3 1 267.461 2.132 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000399271780 813706948 /nfs/dbraw/zinc/70/69/48/813706948.db2.gz UONIJMDBHNOJLZ-VHSXEESVSA-N 2 1 251.201 2.241 20 0 CEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@]1(C)CCC[NH2+]C1 ZINC001246187317 813724898 /nfs/dbraw/zinc/72/48/98/813724898.db2.gz GJTSEEDACIKUEK-WFASDCNBSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@@]1([NH2+][C@H]2CCc3c(F)cccc3C2)CCC[NH2+]C1 ZINC001246190117 813725429 /nfs/dbraw/zinc/72/54/29/813725429.db2.gz PFRKZPWHBQQTGZ-XJKSGUPXSA-N 2 1 262.372 2.415 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)C[NH2+]1 ZINC001246365471 813801836 /nfs/dbraw/zinc/80/18/36/813801836.db2.gz KPFJNJYOSIUZRB-HOCLYGCPSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@H]1CC[C@H](NCC2CC[NH+](CC(C)(C)C)CC2)C[NH2+]1 ZINC001246365471 813801844 /nfs/dbraw/zinc/80/18/44/813801844.db2.gz KPFJNJYOSIUZRB-HOCLYGCPSA-N 2 1 281.488 2.475 20 0 CEADMP C(C1CCC1)C1(N[C@@H]2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC001246445206 813817420 /nfs/dbraw/zinc/81/74/20/813817420.db2.gz DCGJSCIIEIUVQK-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP CCC[C@H](Cc1ccccc1)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246455070 813828837 /nfs/dbraw/zinc/82/88/37/813828837.db2.gz WPTLXMJPFSHNCF-QGZVFWFLSA-N 3 1 277.456 2.316 20 0 CEADMP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111464245 813974576 /nfs/dbraw/zinc/97/45/76/813974576.db2.gz NQLWMBCYTRSLST-FPCVCCKLSA-N 2 1 295.471 2.094 20 0 CEADMP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111464245 813974583 /nfs/dbraw/zinc/97/45/83/813974583.db2.gz NQLWMBCYTRSLST-FPCVCCKLSA-N 2 1 295.471 2.094 20 0 CEADMP C[C@@H](Cc1ccncc1)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246552853 814016590 /nfs/dbraw/zinc/01/65/90/814016590.db2.gz WAKRFVMQFWFPAZ-ZFWWWQNUSA-N 2 1 265.376 2.166 20 0 CEADMP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246553756 814019765 /nfs/dbraw/zinc/01/97/65/814019765.db2.gz UKTYNBPNKCXZOH-DGXTUMSLSA-N 3 1 267.461 2.212 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246553756 814019770 /nfs/dbraw/zinc/01/97/70/814019770.db2.gz UKTYNBPNKCXZOH-DGXTUMSLSA-N 3 1 267.461 2.212 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)C1 ZINC001246558130 814036464 /nfs/dbraw/zinc/03/64/64/814036464.db2.gz MDNHMRTUWVHKRC-YJNKXOJESA-N 2 1 282.428 2.025 20 0 CEADMP C[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCC[C@H]1C[NH3+] ZINC001246565809 814057661 /nfs/dbraw/zinc/05/76/61/814057661.db2.gz IKJGDCCHMQOAHG-QVOMUQBLSA-N 3 1 267.461 2.166 20 0 CEADMP CC(C)=CCC[C@H](C)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246565799 814058120 /nfs/dbraw/zinc/05/81/20/814058120.db2.gz ZQEHKZMPTCKJQZ-GJZGRUSLSA-N 2 1 254.418 2.297 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4nc(Cl)ccc34)C[C@@H]2C1 ZINC001144415956 814059594 /nfs/dbraw/zinc/05/95/94/814059594.db2.gz SHLLCAYQGALDIY-TXEJJXNPSA-N 2 1 290.798 2.210 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4nc(Cl)ccc34)C[C@@H]2C1 ZINC001144415956 814059601 /nfs/dbraw/zinc/05/96/01/814059601.db2.gz SHLLCAYQGALDIY-TXEJJXNPSA-N 2 1 290.798 2.210 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4nc(Cl)ccc34)C[C@@H]2C1 ZINC001144415956 814059606 /nfs/dbraw/zinc/05/96/06/814059606.db2.gz SHLLCAYQGALDIY-TXEJJXNPSA-N 2 1 290.798 2.210 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4nc(Cl)ccc34)C[C@@H]2C1 ZINC001144415956 814059611 /nfs/dbraw/zinc/05/96/11/814059611.db2.gz SHLLCAYQGALDIY-TXEJJXNPSA-N 2 1 290.798 2.210 20 0 CEADMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246567525 814064417 /nfs/dbraw/zinc/06/44/17/814064417.db2.gz LLWYHDVWDBWPQQ-CABCVRRESA-N 3 1 267.461 2.168 20 0 CEADMP CCCN1CCC([N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246567525 814064422 /nfs/dbraw/zinc/06/44/22/814064422.db2.gz LLWYHDVWDBWPQQ-CABCVRRESA-N 2 1 267.461 2.168 20 0 CEADMP CCCN1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246567525 814064429 /nfs/dbraw/zinc/06/44/29/814064429.db2.gz LLWYHDVWDBWPQQ-CABCVRRESA-N 2 1 267.461 2.168 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H](C(=O)OC)CC1 ZINC001255968948 814065322 /nfs/dbraw/zinc/06/53/22/814065322.db2.gz OOXCCPRAJVVQHJ-CABCVRRESA-N 2 1 284.444 2.382 20 0 CEADMP CCCCOC(=O)CC[C@H](C)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246574451 814110367 /nfs/dbraw/zinc/11/03/67/814110367.db2.gz VDRFWAOFSQNJJL-KGLIPLIRSA-N 2 1 270.417 2.040 20 0 CEADMP CCCCOC(=O)CC[C@H](C)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246574451 814110373 /nfs/dbraw/zinc/11/03/73/814110373.db2.gz VDRFWAOFSQNJJL-KGLIPLIRSA-N 2 1 270.417 2.040 20 0 CEADMP C1CC2(CC[NH+](C3CCC4(CC[NH2+]CC4)CC3)CC2)[NH2+]1 ZINC001246647114 814244212 /nfs/dbraw/zinc/24/42/12/814244212.db2.gz HMJRFZTVVPLPMO-UHFFFAOYSA-N 3 1 277.456 2.127 20 0 CEADMP C[C@@H]1CC[C@@H](N)C[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246826829 814268038 /nfs/dbraw/zinc/26/80/38/814268038.db2.gz YPSYNLDGYQEEBN-ZIAGYGMSSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@@H]1CC[C@@H]([NH3+])CN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246826829 814268048 /nfs/dbraw/zinc/26/80/48/814268048.db2.gz YPSYNLDGYQEEBN-ZIAGYGMSSA-N 2 1 265.445 2.110 20 0 CEADMP C[NH2+]CC[C@H](C)[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246951261 814470218 /nfs/dbraw/zinc/47/02/18/814470218.db2.gz STMQJGWKBMCWST-ZDUSSCGKSA-N 3 1 255.450 2.085 20 0 CEADMP C[NH2+]CC[C@H](C)[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246951261 814470222 /nfs/dbraw/zinc/47/02/22/814470222.db2.gz STMQJGWKBMCWST-ZDUSSCGKSA-N 3 1 255.450 2.085 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)C[N@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256574036 814474362 /nfs/dbraw/zinc/47/43/62/814474362.db2.gz SEJJKWGKZNAVRC-ZIAGYGMSSA-N 2 1 296.455 2.380 20 0 CEADMP C[C@@H]1CC([N@H+](CCN(C)C)C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC001246992060 814508291 /nfs/dbraw/zinc/50/82/91/814508291.db2.gz XRCKTIDCRSRUHV-GJZGRUSLSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1CC([N@@H+](CCN(C)C)C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC001246992060 814508297 /nfs/dbraw/zinc/50/82/97/814508297.db2.gz XRCKTIDCRSRUHV-GJZGRUSLSA-N 2 1 281.488 2.427 20 0 CEADMP CCCC[C@H](CC)[N@H+]1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001247008615 814518926 /nfs/dbraw/zinc/51/89/26/814518926.db2.gz NNCCVDBMDABDEJ-GJZGRUSLSA-N 2 1 296.455 2.430 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000697042261 814645283 /nfs/dbraw/zinc/64/52/83/814645283.db2.gz OINRYRNJAKERHL-HOCLYGCPSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCSCC(F)(F)F ZINC000698969262 814661631 /nfs/dbraw/zinc/66/16/31/814661631.db2.gz VLCZRPXQGKPINX-DTWKUNHWSA-N 2 1 256.337 2.012 20 0 CEADMP CCOC[C@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699232680 814663250 /nfs/dbraw/zinc/66/32/50/814663250.db2.gz IYCKMXQJBOBWRF-WTXIUTQJSA-N 2 1 266.429 2.408 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](O)C[C@H]2C)CC1 ZINC001173115225 815584617 /nfs/dbraw/zinc/58/46/17/815584617.db2.gz ZPXGTXBOPOVZII-PRLABOORSA-N 2 1 268.445 2.485 20 0 CEADMP C([C@H]1CCC2(CCC2)O1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000712485501 814750534 /nfs/dbraw/zinc/75/05/34/814750534.db2.gz MWDPLWAUYAPGEN-KFWWJZLASA-N 2 1 264.413 2.162 20 0 CEADMP CCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729502 814752316 /nfs/dbraw/zinc/75/23/16/814752316.db2.gz INTZLLJZVIPYGX-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP C[N@@H+](CCCOC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000713410668 814851898 /nfs/dbraw/zinc/85/18/98/814851898.db2.gz HUZUOXRSVCVWHN-ZACCUICWSA-N 2 1 266.307 2.128 20 0 CEADMP C[C@@H]1CCC[N@@H+]1CC[NH2+]CCc1ccc(F)cc1 ZINC001116502047 814858339 /nfs/dbraw/zinc/85/83/39/814858339.db2.gz PCRHJSBSAMEZRY-CYBMUJFWSA-N 2 1 250.361 2.442 20 0 CEADMP C[C@@H]1CCC[N@H+]1CC[NH2+]CCc1ccc(F)cc1 ZINC001116502047 814858344 /nfs/dbraw/zinc/85/83/44/814858344.db2.gz PCRHJSBSAMEZRY-CYBMUJFWSA-N 2 1 250.361 2.442 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)OC1 ZINC000713585511 814865793 /nfs/dbraw/zinc/86/57/93/814865793.db2.gz JJCOELBMIQHLNA-LZWOXQAQSA-N 2 1 266.429 2.252 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)CO2)CC[C@H]1[NH3+] ZINC000713595994 814865902 /nfs/dbraw/zinc/86/59/02/814865902.db2.gz KHPXEEPHZBXZBB-HZSPNIEDSA-N 2 1 254.418 2.251 20 0 CEADMP Cc1cc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)no1 ZINC000714454166 814905789 /nfs/dbraw/zinc/90/57/89/814905789.db2.gz DEUYJLLZZSMSHT-UHFFFAOYSA-N 2 1 251.374 2.180 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000714998354 814920857 /nfs/dbraw/zinc/92/08/57/814920857.db2.gz GGKRAFYWHZIAAB-GOEBONIOSA-N 2 1 260.381 2.269 20 0 CEADMP Cc1ccccc1OCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000714994147 814921631 /nfs/dbraw/zinc/92/16/31/814921631.db2.gz GBYMBBKGFQJVHT-JKSUJKDBSA-N 2 1 274.408 2.448 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C2CCC(Oc3ccccc3)CC2)CCO1 ZINC001173198007 815618583 /nfs/dbraw/zinc/61/85/83/815618583.db2.gz MQYXJMMBSUOZLC-BDVYOWHSSA-N 2 1 290.407 2.036 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C2CCC(Oc3ccccc3)CC2)CCO1 ZINC001173198007 815618587 /nfs/dbraw/zinc/61/85/87/815618587.db2.gz MQYXJMMBSUOZLC-BDVYOWHSSA-N 2 1 290.407 2.036 20 0 CEADMP CC[N@H+]1CC[C@@H](NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001173349622 815684761 /nfs/dbraw/zinc/68/47/61/815684761.db2.gz JFXJTARWNWVRHS-OWCLPIDISA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@@H](NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001173349622 815684764 /nfs/dbraw/zinc/68/47/64/815684764.db2.gz JFXJTARWNWVRHS-OWCLPIDISA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001173349622 815684768 /nfs/dbraw/zinc/68/47/68/815684768.db2.gz JFXJTARWNWVRHS-OWCLPIDISA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@H](NC2CC[NH+](CC(C)(C)C)CC2)C1 ZINC001173352045 815686765 /nfs/dbraw/zinc/68/67/65/815686765.db2.gz DRTMJPQPTUBMMI-HNNXBMFYSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC001173361403 815700837 /nfs/dbraw/zinc/70/08/37/815700837.db2.gz CFBOZXANEBZRMT-SJLPKXTDSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CC[C@@H](N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001173361403 815700841 /nfs/dbraw/zinc/70/08/41/815700841.db2.gz CFBOZXANEBZRMT-SJLPKXTDSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CC[C@@H](N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC001173361403 815700843 /nfs/dbraw/zinc/70/08/43/815700843.db2.gz CFBOZXANEBZRMT-SJLPKXTDSA-N 2 1 287.451 2.287 20 0 CEADMP CC[N@@H+]1CC[C@@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC001173360509 815701227 /nfs/dbraw/zinc/70/12/27/815701227.db2.gz PJOSOKXQPUGHOY-MBNRZODZSA-N 2 1 299.462 2.412 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC001173360509 815701232 /nfs/dbraw/zinc/70/12/32/815701232.db2.gz PJOSOKXQPUGHOY-MBNRZODZSA-N 2 1 299.462 2.412 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC001173362709 815703806 /nfs/dbraw/zinc/70/38/06/815703806.db2.gz JNTBMFQYTRPNQX-JCYILVPMSA-N 2 1 279.472 2.277 20 0 CEADMP CC[N@H+]1CC[C@@H](N(c2ncccc2C)C2CC[NH2+]CC2)C1 ZINC001173375054 815708919 /nfs/dbraw/zinc/70/89/19/815708919.db2.gz QFUQFVCLHMSBMR-MRXNPFEDSA-N 2 1 288.439 2.043 20 0 CEADMP COC(=O)CCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001173437751 815715889 /nfs/dbraw/zinc/71/58/89/815715889.db2.gz PGRPQFUXMNHJPI-ZIAGYGMSSA-N 2 1 270.417 2.040 20 0 CEADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc4nccnc34)C[C@@H]2C1 ZINC001138309355 815763805 /nfs/dbraw/zinc/76/38/05/815763805.db2.gz LJCJBQYMMAFCGZ-GASCZTMLSA-N 2 1 282.391 2.013 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4nccnc34)C[C@@H]2C1 ZINC001138309355 815763812 /nfs/dbraw/zinc/76/38/12/815763812.db2.gz LJCJBQYMMAFCGZ-GASCZTMLSA-N 2 1 282.391 2.013 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4nccnc34)C[C@@H]2C1 ZINC001138309355 815763816 /nfs/dbraw/zinc/76/38/16/815763816.db2.gz LJCJBQYMMAFCGZ-GASCZTMLSA-N 2 1 282.391 2.013 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4nccnc34)C[C@@H]2C1 ZINC001138309355 815763819 /nfs/dbraw/zinc/76/38/19/815763819.db2.gz LJCJBQYMMAFCGZ-GASCZTMLSA-N 2 1 282.391 2.013 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001173620144 815763966 /nfs/dbraw/zinc/76/39/66/815763966.db2.gz FFCPLLKQZDAPDT-KFWWJZLASA-N 2 1 282.428 2.182 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001173639598 815786705 /nfs/dbraw/zinc/78/67/05/815786705.db2.gz HSMIMVZMDUDTOR-ZFWWWQNUSA-N 2 1 294.439 2.325 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)cc1 ZINC001138544778 815822647 /nfs/dbraw/zinc/82/26/47/815822647.db2.gz OVAFBAYXYRFXIU-GUYCJALGSA-N 2 1 285.391 2.383 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H](C)C[C@H]2CO)cc1 ZINC001138544778 815822656 /nfs/dbraw/zinc/82/26/56/815822656.db2.gz OVAFBAYXYRFXIU-GUYCJALGSA-N 2 1 285.391 2.383 20 0 CEADMP CC(=O)Oc1ccc(C2CCC([NH2+][C@@H]3C[C@H]3[NH3+])CC2)cc1 ZINC001173783570 815823675 /nfs/dbraw/zinc/82/36/75/815823675.db2.gz CJEWNBQMYXNEQN-TVGUXLQWSA-N 2 1 288.391 2.327 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC3(CN(C)C3)C2)cc1 ZINC001138550044 815825559 /nfs/dbraw/zinc/82/55/59/815825559.db2.gz IWRQGZHCBAOOAG-UHFFFAOYSA-N 2 1 296.418 2.318 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC3(CN(C)C3)C2)cc1 ZINC001138550044 815825569 /nfs/dbraw/zinc/82/55/69/815825569.db2.gz IWRQGZHCBAOOAG-UHFFFAOYSA-N 2 1 296.418 2.318 20 0 CEADMP C[NH+]1CCN(c2ccc(Nc3cc[nH+]cc3)cc2F)CC1 ZINC001173883406 815851356 /nfs/dbraw/zinc/85/13/56/815851356.db2.gz IKXGSYXHFCDFTE-UHFFFAOYSA-N 2 1 286.354 2.138 20 0 CEADMP C[NH+](C)CCN1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC001138823056 815910891 /nfs/dbraw/zinc/91/08/91/815910891.db2.gz ZOCBBMLQNCUKFG-UHFFFAOYSA-N 2 1 287.407 2.112 20 0 CEADMP C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC001139052896 815951109 /nfs/dbraw/zinc/95/11/09/815951109.db2.gz PSQYDEWHDIKMHZ-RHSMWYFYSA-N 2 1 292.398 2.451 20 0 CEADMP C[C@@H]1C[C@@H](F)CN1Cc1cccc(CN2CCOCC2)c1 ZINC001139052896 815951113 /nfs/dbraw/zinc/95/11/13/815951113.db2.gz PSQYDEWHDIKMHZ-RHSMWYFYSA-N 2 1 292.398 2.451 20 0 CEADMP Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cn1 ZINC001139933639 816144429 /nfs/dbraw/zinc/14/44/29/816144429.db2.gz LITJIRPXWQGIKF-UHFFFAOYSA-N 2 1 282.391 2.416 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]c2ncnc(Cl)c12 ZINC001139939481 816146632 /nfs/dbraw/zinc/14/66/32/816146632.db2.gz DHMYHQSQPDZJFF-UHFFFAOYSA-N 2 1 295.818 2.337 20 0 CEADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175264327 816164753 /nfs/dbraw/zinc/16/47/53/816164753.db2.gz SSXSMTMTJZCEPR-HZPDHXFCSA-N 2 1 297.487 2.393 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c[nH]c4cccc(O)c34)C2)C1 ZINC001140235060 816213269 /nfs/dbraw/zinc/21/32/69/816213269.db2.gz PYWOTMMGHKPOQI-KRWDZBQOSA-N 2 1 285.391 2.401 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3c[nH]c4cccc(O)c34)C2)C1 ZINC001140235060 816213274 /nfs/dbraw/zinc/21/32/74/816213274.db2.gz PYWOTMMGHKPOQI-KRWDZBQOSA-N 2 1 285.391 2.401 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3c[nH]c4cccc(O)c34)C2)C1 ZINC001140235060 816213277 /nfs/dbraw/zinc/21/32/77/816213277.db2.gz PYWOTMMGHKPOQI-KRWDZBQOSA-N 2 1 285.391 2.401 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c[nH]c4cccc(O)c34)C2)C1 ZINC001140235060 816213282 /nfs/dbraw/zinc/21/32/82/816213282.db2.gz PYWOTMMGHKPOQI-KRWDZBQOSA-N 2 1 285.391 2.401 20 0 CEADMP C[NH+]1CCN(c2ccccc2NC2=CCC[N@@H+](C)C2)CC1 ZINC001175576206 816240532 /nfs/dbraw/zinc/24/05/32/816240532.db2.gz FQDZBRIIFIXIDY-UHFFFAOYSA-N 2 1 286.423 2.070 20 0 CEADMP C[NH+](C)CCOc1ccc(NC2=CCC[N@@H+](C)C2)cc1 ZINC001175576827 816240977 /nfs/dbraw/zinc/24/09/77/816240977.db2.gz ULZDVTZDAUSPEN-UHFFFAOYSA-N 2 1 275.396 2.258 20 0 CEADMP O=C1CCC[C@H]2C[N@@H+](Cc3c[nH]c4ccncc34)C[C@@H]12 ZINC001140806301 816366379 /nfs/dbraw/zinc/36/63/79/816366379.db2.gz FNTRCWYEEXIQDI-SMDDNHRTSA-N 2 1 269.348 2.364 20 0 CEADMP O=C1CCC[C@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@@H]12 ZINC001140806301 816366404 /nfs/dbraw/zinc/36/64/04/816366404.db2.gz FNTRCWYEEXIQDI-SMDDNHRTSA-N 2 1 269.348 2.364 20 0 CEADMP O=C1CCC[C@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@@H]12 ZINC001140806301 816366410 /nfs/dbraw/zinc/36/64/10/816366410.db2.gz FNTRCWYEEXIQDI-SMDDNHRTSA-N 2 1 269.348 2.364 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)c(N)c3)C[C@@H]2C1 ZINC001140902049 816405932 /nfs/dbraw/zinc/40/59/32/816405932.db2.gz SVUUHAQBTSTTDI-GASCZTMLSA-N 2 1 289.423 2.051 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)c(N)c3)C[C@@H]2C1 ZINC001140902049 816405937 /nfs/dbraw/zinc/40/59/37/816405937.db2.gz SVUUHAQBTSTTDI-GASCZTMLSA-N 2 1 289.423 2.051 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC)c(N)c3)C[C@@H]2C1 ZINC001140902049 816405941 /nfs/dbraw/zinc/40/59/41/816405941.db2.gz SVUUHAQBTSTTDI-GASCZTMLSA-N 2 1 289.423 2.051 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC)c(N)c3)C[C@@H]2C1 ZINC001140902049 816405946 /nfs/dbraw/zinc/40/59/46/816405946.db2.gz SVUUHAQBTSTTDI-GASCZTMLSA-N 2 1 289.423 2.051 20 0 CEADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ncco2)CC1 ZINC001141008644 816440883 /nfs/dbraw/zinc/44/08/83/816440883.db2.gz HGFWOFMVEXZTQR-UHFFFAOYSA-N 2 1 251.374 2.227 20 0 CEADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ncco2)CC1 ZINC001141008644 816440887 /nfs/dbraw/zinc/44/08/87/816440887.db2.gz HGFWOFMVEXZTQR-UHFFFAOYSA-N 2 1 251.374 2.227 20 0 CEADMP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563141 816441445 /nfs/dbraw/zinc/44/14/45/816441445.db2.gz BHOWUPIPRNSZQZ-HOTGVXAUSA-N 2 1 297.487 2.393 20 0 CEADMP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176564488 816442700 /nfs/dbraw/zinc/44/27/00/816442700.db2.gz PSPGSVKBOHHEKK-GOEBONIOSA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCC(C)(C)C ZINC001176986449 816503239 /nfs/dbraw/zinc/50/32/39/816503239.db2.gz OPKOQSYCIJPILQ-OAHLLOKOSA-N 2 1 297.487 2.393 20 0 CEADMP CCC(CC)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176992235 816505487 /nfs/dbraw/zinc/50/54/87/816505487.db2.gz KCBAWCZDWOQTAS-MRXNPFEDSA-N 2 1 297.487 2.393 20 0 CEADMP CC[N@@H+](Cc1cccc(-n2ccnc2)c1)C1COC1 ZINC001141242810 816511879 /nfs/dbraw/zinc/51/18/79/816511879.db2.gz KHDUOYUUEMWSGL-UHFFFAOYSA-N 2 1 257.337 2.093 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206293201 816519883 /nfs/dbraw/zinc/51/98/83/816519883.db2.gz GRWCWMTUVXPHDM-HNNXBMFYSA-N 3 1 255.450 2.025 20 0 CEADMP CN(C)CC(C)(C)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206293201 816519887 /nfs/dbraw/zinc/51/98/87/816519887.db2.gz GRWCWMTUVXPHDM-HNNXBMFYSA-N 2 1 255.450 2.025 20 0 CEADMP CN(C)CC(C)(C)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206293201 816519890 /nfs/dbraw/zinc/51/98/90/816519890.db2.gz GRWCWMTUVXPHDM-HNNXBMFYSA-N 2 1 255.450 2.025 20 0 CEADMP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC001177225854 816534618 /nfs/dbraw/zinc/53/46/18/816534618.db2.gz LUBDGXBGPIVJQO-IJEWVQPXSA-N 2 1 266.429 2.266 20 0 CEADMP COc1cccnc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304881 816572574 /nfs/dbraw/zinc/57/25/74/816572574.db2.gz QKYROLGBPFPTHK-OAHLLOKOSA-N 2 1 263.385 2.041 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)CC(C)(C)C ZINC001177855383 816634388 /nfs/dbraw/zinc/63/43/88/816634388.db2.gz UKQJNRRCDZSCHD-ZDUSSCGKSA-N 2 1 265.401 2.034 20 0 CEADMP COc1ncc(F)cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206317769 816690628 /nfs/dbraw/zinc/69/06/28/816690628.db2.gz IITCMTTZQSVYCA-HNNXBMFYSA-N 2 1 281.375 2.180 20 0 CEADMP CCOc1ncccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206318949 816701131 /nfs/dbraw/zinc/70/11/31/816701131.db2.gz VNCOJNVXYAWSMC-MRXNPFEDSA-N 2 1 277.412 2.431 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccnc2[nH]ccc21 ZINC001142880119 816747557 /nfs/dbraw/zinc/74/75/57/816747557.db2.gz BKXGTTNPFMWOTF-UHFFFAOYSA-N 2 1 272.396 2.481 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccnc2[nH]ccc21 ZINC001142880119 816747562 /nfs/dbraw/zinc/74/75/62/816747562.db2.gz BKXGTTNPFMWOTF-UHFFFAOYSA-N 2 1 272.396 2.481 20 0 CEADMP CC/C=C\CC[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161227143 816818859 /nfs/dbraw/zinc/81/88/59/816818859.db2.gz VGAIJYIIHXZABZ-HJWRWDBZSA-N 2 1 283.460 2.169 20 0 CEADMP CCO[C@H](C[NH2+]CC(C(C)C)C(C)C)C[NH+](C)C ZINC001179559446 816879994 /nfs/dbraw/zinc/87/99/94/816879994.db2.gz IAUOKZRAIGVEMR-CQSZACIVSA-N 2 1 258.450 2.471 20 0 CEADMP C[C@H]1C[N@@H+](CC2=CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000336196924 365524284 /nfs/dbraw/zinc/52/42/84/365524284.db2.gz FJRKYBJXGLUXCG-FUHWJXTLSA-N 2 1 291.483 2.445 20 0 CEADMP C[C@H]1C[N@H+](CC2=CCCCC2)CC[C@H]1N1CCN(C)CC1 ZINC000336196924 365524287 /nfs/dbraw/zinc/52/42/87/365524287.db2.gz FJRKYBJXGLUXCG-FUHWJXTLSA-N 2 1 291.483 2.445 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000337417544 214070471 /nfs/dbraw/zinc/07/04/71/214070471.db2.gz PTSQFJSRIWVWRR-VXGBXAGGSA-N 2 1 273.327 2.332 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C1CCC(CSC)CC1 ZINC000449079965 282091960 /nfs/dbraw/zinc/09/19/60/282091960.db2.gz RNNZFDURXRQZSO-UHFFFAOYSA-N 2 1 288.501 2.466 20 0 CEADMP C[N@H+](CCO)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000095589246 185014023 /nfs/dbraw/zinc/01/40/23/185014023.db2.gz ZRPRLDFNDYYSQJ-UHFFFAOYSA-N 2 1 279.771 2.224 20 0 CEADMP C[N@@H+](CCO)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000095589246 185014025 /nfs/dbraw/zinc/01/40/25/185014025.db2.gz ZRPRLDFNDYYSQJ-UHFFFAOYSA-N 2 1 279.771 2.224 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCC[C@@H]2C)[C@H](C)C1 ZINC000079462397 343981270 /nfs/dbraw/zinc/98/12/70/343981270.db2.gz PRFAXLRFEXPPDF-PMPSAXMXSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N2CCC[C@@H]2C)[C@H](C)C1 ZINC000079462397 343981272 /nfs/dbraw/zinc/98/12/72/343981272.db2.gz PRFAXLRFEXPPDF-PMPSAXMXSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N2CCC[C@@H]2C)[C@H](C)C1 ZINC000079462397 343981274 /nfs/dbraw/zinc/98/12/74/343981274.db2.gz PRFAXLRFEXPPDF-PMPSAXMXSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCC1 ZINC000449090595 282096383 /nfs/dbraw/zinc/09/63/83/282096383.db2.gz HFMCZUCMVKCJLW-OAHLLOKOSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCC(C)(C)O3)C2)C1 ZINC000336440673 365576324 /nfs/dbraw/zinc/57/63/24/365576324.db2.gz HJSZUQPPWFRWNQ-ZBFHGGJFSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CCC(C)(C)O3)C2)C1 ZINC000336440673 365576330 /nfs/dbraw/zinc/57/63/30/365576330.db2.gz HJSZUQPPWFRWNQ-ZBFHGGJFSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CCC(C)(C)O3)C2)C1 ZINC000336440673 365576336 /nfs/dbraw/zinc/57/63/36/365576336.db2.gz HJSZUQPPWFRWNQ-ZBFHGGJFSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000567639276 299069841 /nfs/dbraw/zinc/06/98/41/299069841.db2.gz CZLMWOZOAAMWET-OWCLPIDISA-N 3 1 267.461 2.275 20 0 CEADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]([NH3+])C1CC1 ZINC000567654299 299071590 /nfs/dbraw/zinc/07/15/90/299071590.db2.gz VHFTXSFRCZOVJF-GJZGRUSLSA-N 2 1 260.381 2.400 20 0 CEADMP Cc1ncc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000336555078 365638135 /nfs/dbraw/zinc/63/81/35/365638135.db2.gz XOQGJSMKNKHCFU-GXTWGEPZSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)s1 ZINC000336555078 365638140 /nfs/dbraw/zinc/63/81/40/365638140.db2.gz XOQGJSMKNKHCFU-GXTWGEPZSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)s1 ZINC000336555078 365638146 /nfs/dbraw/zinc/63/81/46/365638146.db2.gz XOQGJSMKNKHCFU-GXTWGEPZSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)s1 ZINC000336555078 365638149 /nfs/dbraw/zinc/63/81/49/365638149.db2.gz XOQGJSMKNKHCFU-GXTWGEPZSA-N 2 1 265.426 2.368 20 0 CEADMP CC(C)CN(C(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000123658508 365639696 /nfs/dbraw/zinc/63/96/96/365639696.db2.gz FTCYDWLQXKSUEQ-CVEARBPZSA-N 2 1 297.487 2.294 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C)(CC)CC2)CC1 ZINC000337689914 214218080 /nfs/dbraw/zinc/21/80/80/214218080.db2.gz NKKFXTCMECWDQW-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1ccnc(C)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336586780 365682308 /nfs/dbraw/zinc/68/23/08/365682308.db2.gz PYAXGNWWDKHSDD-AAEUAGOBSA-N 2 1 276.384 2.303 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336586952 365683415 /nfs/dbraw/zinc/68/34/15/365683415.db2.gz LMKGXYZCIZTOIT-KRWDZBQOSA-N 2 1 287.407 2.221 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336586952 365683418 /nfs/dbraw/zinc/68/34/18/365683418.db2.gz LMKGXYZCIZTOIT-KRWDZBQOSA-N 2 1 287.407 2.221 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000125575054 365678608 /nfs/dbraw/zinc/67/86/08/365678608.db2.gz XWXCSAXBCJXLHJ-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000125575054 365678615 /nfs/dbraw/zinc/67/86/15/365678615.db2.gz XWXCSAXBCJXLHJ-OAGGEKHMSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000125575054 365678619 /nfs/dbraw/zinc/67/86/19/365678619.db2.gz XWXCSAXBCJXLHJ-OAGGEKHMSA-N 3 1 267.461 2.181 20 0 CEADMP CCOc1cncc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000621326639 349561653 /nfs/dbraw/zinc/56/16/53/349561653.db2.gz PDGXLQGZPWQPSF-UHFFFAOYSA-N 2 1 277.412 2.446 20 0 CEADMP CC(C)[NH+](CCN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C(C)C ZINC000036907531 361870673 /nfs/dbraw/zinc/87/06/73/361870673.db2.gz PUSWTCPOGWLBRK-OAGGEKHMSA-N 2 1 269.477 2.424 20 0 CEADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2(CO)CC2)CC1 ZINC000449219560 282146563 /nfs/dbraw/zinc/14/65/63/282146563.db2.gz DMULYBHLXZMMQQ-OAHLLOKOSA-N 2 1 288.435 2.197 20 0 CEADMP CC(C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000037618923 361912834 /nfs/dbraw/zinc/91/28/34/361912834.db2.gz KTUDBGONYQKORG-QGZVFWFLSA-N 2 1 275.440 2.363 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2cccnc2)C1 ZINC000350761598 219057986 /nfs/dbraw/zinc/05/79/86/219057986.db2.gz FECQIRXZGVDKAJ-QGZVFWFLSA-N 2 1 273.424 2.288 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000350761598 219057988 /nfs/dbraw/zinc/05/79/88/219057988.db2.gz FECQIRXZGVDKAJ-QGZVFWFLSA-N 2 1 273.424 2.288 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000350761598 219057989 /nfs/dbraw/zinc/05/79/89/219057989.db2.gz FECQIRXZGVDKAJ-QGZVFWFLSA-N 2 1 273.424 2.288 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2C)C1(C)C ZINC000338010074 214358244 /nfs/dbraw/zinc/35/82/44/214358244.db2.gz DIJSTDJNXYSBIF-UONOGXRCSA-N 2 1 265.401 2.375 20 0 CEADMP CCN1CCC([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000123943541 539179753 /nfs/dbraw/zinc/17/97/53/539179753.db2.gz KNQYALFPAQDNLA-UHFFFAOYSA-N 3 1 287.451 2.248 20 0 CEADMP CC[NH+]1CCC(N(C)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000123943541 539179754 /nfs/dbraw/zinc/17/97/54/539179754.db2.gz KNQYALFPAQDNLA-UHFFFAOYSA-N 2 1 287.451 2.248 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000123943541 539179755 /nfs/dbraw/zinc/17/97/55/539179755.db2.gz KNQYALFPAQDNLA-UHFFFAOYSA-N 3 1 287.451 2.248 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000123943541 539179756 /nfs/dbraw/zinc/17/97/56/539179756.db2.gz KNQYALFPAQDNLA-UHFFFAOYSA-N 3 1 287.451 2.248 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000226581742 539172716 /nfs/dbraw/zinc/17/27/16/539172716.db2.gz UAEWRLLATLQKPM-TUVASFSCSA-N 2 1 252.402 2.160 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000226581742 539172718 /nfs/dbraw/zinc/17/27/18/539172718.db2.gz UAEWRLLATLQKPM-TUVASFSCSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cnn(C)c1 ZINC000125915051 187204468 /nfs/dbraw/zinc/20/44/68/187204468.db2.gz BMZWNTBAWDCJRM-OCCSQVGLSA-N 2 1 266.433 2.437 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCCC[NH3+])C1 ZINC000567730429 299083235 /nfs/dbraw/zinc/08/32/35/299083235.db2.gz AMUKVTCFQSSUMH-HZPDHXFCSA-N 2 1 295.471 2.228 20 0 CEADMP C[C@]12COC[C@H]1C[N@@H+](Cc1cc(-n3ccnc3)cs1)C2 ZINC000668597225 539208067 /nfs/dbraw/zinc/20/80/67/539208067.db2.gz SAMURLCIWGXMSA-DOMZBBRYSA-N 2 1 289.404 2.402 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000668675748 539233680 /nfs/dbraw/zinc/23/36/80/539233680.db2.gz HRMWTKLCMNCRNK-HOTGVXAUSA-N 2 1 274.408 2.469 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)(C)C)[NH2+]C)[C@H](C)C1 ZINC000449367016 282202312 /nfs/dbraw/zinc/20/23/12/282202312.db2.gz UGYGQKFEJIRQHX-KFWWJZLASA-N 2 1 297.487 2.199 20 0 CEADMP FC(F)(F)Oc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000220222154 539256325 /nfs/dbraw/zinc/25/63/25/539256325.db2.gz WJWXRMZRFPIZHF-VXGBXAGGSA-N 2 1 286.297 2.236 20 0 CEADMP C[C@H]1CCC[C@@H]([N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000043402192 362144309 /nfs/dbraw/zinc/14/43/09/362144309.db2.gz XLUJAMYYHBFWDI-WDEREUQCSA-N 2 1 266.389 2.274 20 0 CEADMP Cc1cc(N2CCC3(CCC[N@H+]3C)CC2)nc(C)[nH+]1 ZINC000436438961 539302423 /nfs/dbraw/zinc/30/24/23/539302423.db2.gz KSHPTEMFQNHSJD-UHFFFAOYSA-N 2 1 260.385 2.158 20 0 CEADMP Cc1cc(N2CCC3(CCC[N@@H+]3C)CC2)nc(C)[nH+]1 ZINC000436438961 539302424 /nfs/dbraw/zinc/30/24/24/539302424.db2.gz KSHPTEMFQNHSJD-UHFFFAOYSA-N 2 1 260.385 2.158 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000672824611 539321816 /nfs/dbraw/zinc/32/18/16/539321816.db2.gz IGIFXTOBYJFQGA-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H]1C[N@H+](CCCn2cc[nH+]c2C)CCCO1 ZINC000336693452 365761996 /nfs/dbraw/zinc/76/19/96/365761996.db2.gz KXXQTNHMCDZFBA-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP CC[C@H]1C[N@@H+](CCCn2cc[nH+]c2C)CCCO1 ZINC000336693452 365761999 /nfs/dbraw/zinc/76/19/99/365761999.db2.gz KXXQTNHMCDZFBA-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000351266847 219088909 /nfs/dbraw/zinc/08/89/09/219088909.db2.gz FSOASJYHRBLNHY-RDJZCZTQSA-N 2 1 296.455 2.131 20 0 CEADMP CCOC[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351266836 219088938 /nfs/dbraw/zinc/08/89/38/219088938.db2.gz FQJAQGDSTGFVNE-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCOC[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351266836 219088939 /nfs/dbraw/zinc/08/89/39/219088939.db2.gz FQJAQGDSTGFVNE-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCOC[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351266836 219088941 /nfs/dbraw/zinc/08/89/41/219088941.db2.gz FQJAQGDSTGFVNE-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCOC2)C1 ZINC000336702901 365767284 /nfs/dbraw/zinc/76/72/84/365767284.db2.gz IFIJYCVZIDNCAZ-LSDHHAIUSA-N 2 1 254.418 2.077 20 0 CEADMP CCc1ncc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000414361259 529757331 /nfs/dbraw/zinc/75/73/31/529757331.db2.gz HUZKALGHTIAHGS-UONOGXRCSA-N 2 1 262.401 2.001 20 0 CEADMP C[C@@H]1C[C@H](NCC2([NH+](C)C)CCCCC2)C[N@H+]1C1CC1 ZINC000128450640 365789857 /nfs/dbraw/zinc/78/98/57/365789857.db2.gz YGZVFBFKQYWZKT-CABCVRRESA-N 2 1 279.472 2.466 20 0 CEADMP CN(CCC[NH+](C)C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000622484377 349860775 /nfs/dbraw/zinc/86/07/75/349860775.db2.gz HVYFGFVACNUTKG-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCCc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000622854959 349895046 /nfs/dbraw/zinc/89/50/46/349895046.db2.gz PVFKVCPMWQFRNW-QGZVFWFLSA-N 2 1 276.424 2.185 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccccc2)C1 ZINC000081516385 344055428 /nfs/dbraw/zinc/05/54/28/344055428.db2.gz CMJNBPMCHUQZBM-RDJZCZTQSA-N 2 1 276.424 2.384 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccccc2)C1 ZINC000081516385 344055432 /nfs/dbraw/zinc/05/54/32/344055432.db2.gz CMJNBPMCHUQZBM-RDJZCZTQSA-N 2 1 276.424 2.384 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000081516385 344055438 /nfs/dbraw/zinc/05/54/38/344055438.db2.gz CMJNBPMCHUQZBM-RDJZCZTQSA-N 2 1 276.424 2.384 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000081516385 344055441 /nfs/dbraw/zinc/05/54/41/344055441.db2.gz CMJNBPMCHUQZBM-RDJZCZTQSA-N 2 1 276.424 2.384 20 0 CEADMP CSC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000090112289 344137283 /nfs/dbraw/zinc/13/72/83/344137283.db2.gz AKCKPNHKZGXXOO-UONOGXRCSA-N 2 1 284.469 2.115 20 0 CEADMP Cc1cccnc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093175850 344215911 /nfs/dbraw/zinc/21/59/11/344215911.db2.gz CIPVCJCXMOXVIX-BFYDXBDKSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cccnc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093175850 344215912 /nfs/dbraw/zinc/21/59/12/344215912.db2.gz CIPVCJCXMOXVIX-BFYDXBDKSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cccnc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093175850 344215914 /nfs/dbraw/zinc/21/59/14/344215914.db2.gz CIPVCJCXMOXVIX-BFYDXBDKSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cccnc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093175850 344215916 /nfs/dbraw/zinc/21/59/16/344215916.db2.gz CIPVCJCXMOXVIX-BFYDXBDKSA-N 2 1 271.408 2.306 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)[C@@H](C)C1 ZINC000449685235 282330891 /nfs/dbraw/zinc/33/08/91/282330891.db2.gz ROALHOXQUCUFMA-KKUMJFAQSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@H+]1CCC[C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000132065971 344361438 /nfs/dbraw/zinc/36/14/38/344361438.db2.gz PYUCZJFQGCKPLJ-UHOFOFEASA-N 2 1 259.397 2.063 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@H+]1C ZINC000164947953 344473183 /nfs/dbraw/zinc/47/31/83/344473183.db2.gz ZBDLOIGMBZSCAS-DZGCQCFKSA-N 2 1 275.396 2.088 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000190987587 344513805 /nfs/dbraw/zinc/51/38/05/344513805.db2.gz OCMOKMJNVPXTRI-MRXNPFEDSA-N 2 1 290.455 2.358 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000190987587 344513806 /nfs/dbraw/zinc/51/38/06/344513806.db2.gz OCMOKMJNVPXTRI-MRXNPFEDSA-N 2 1 290.455 2.358 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCO[C@H]3CCC[C@H]31)C[NH2+]CC2 ZINC000228244230 344559622 /nfs/dbraw/zinc/55/96/22/344559622.db2.gz PDFUATUPKBEPEP-SJORKVTESA-N 2 1 272.392 2.086 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(F)c1 ZINC000228620316 344562211 /nfs/dbraw/zinc/56/22/11/344562211.db2.gz YCGBLKKDKGDMJX-GFCCVEGCSA-N 2 1 266.360 2.395 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(F)c1 ZINC000228622768 344562415 /nfs/dbraw/zinc/56/24/15/344562415.db2.gz YMGNRYVPBUVVRC-MNOVXSKESA-N 2 1 252.333 2.003 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(F)c1 ZINC000228622768 344562416 /nfs/dbraw/zinc/56/24/16/344562416.db2.gz YMGNRYVPBUVVRC-MNOVXSKESA-N 2 1 252.333 2.003 20 0 CEADMP CCCNC(=[NH2+])NCCC[N@@H+](C)Cc1ccccc1 ZINC000052041132 362461861 /nfs/dbraw/zinc/46/18/61/362461861.db2.gz PPRYBNZKPLSBKD-UHFFFAOYSA-N 2 1 262.401 2.032 20 0 CEADMP COC(=O)c1csc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000602510757 347061635 /nfs/dbraw/zinc/06/16/35/347061635.db2.gz NGJSIYKKLYFYOR-NSHDSACASA-N 2 1 294.420 2.109 20 0 CEADMP COC(=O)c1csc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000602510757 347061640 /nfs/dbraw/zinc/06/16/40/347061640.db2.gz NGJSIYKKLYFYOR-NSHDSACASA-N 2 1 294.420 2.109 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[NH2+]C2CC2)cc1 ZINC000237604062 344603563 /nfs/dbraw/zinc/60/35/63/344603563.db2.gz PDPWIJKSPRWZEF-GFCCVEGCSA-N 2 1 298.390 2.110 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000263240558 344655989 /nfs/dbraw/zinc/65/59/89/344655989.db2.gz GARHXVLUTACXLW-HOCLYGCPSA-N 2 1 291.439 2.171 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000252107155 344638548 /nfs/dbraw/zinc/63/85/48/344638548.db2.gz JBHDLXRRQXTWPE-CRWXNKLISA-N 2 1 252.402 2.016 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000307982685 344725864 /nfs/dbraw/zinc/72/58/64/344725864.db2.gz NXUXPQXPBIVFLF-HUUCEWRRSA-N 2 1 276.428 2.236 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000307982685 344725867 /nfs/dbraw/zinc/72/58/67/344725867.db2.gz NXUXPQXPBIVFLF-HUUCEWRRSA-N 2 1 276.428 2.236 20 0 CEADMP [NH3+]C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CCCO1 ZINC000313351229 344742423 /nfs/dbraw/zinc/74/24/23/344742423.db2.gz NLABWAIUHLFDBT-LBPRGKRZSA-N 2 1 291.782 2.442 20 0 CEADMP COc1cc(F)cc(C[C@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000449783948 282366829 /nfs/dbraw/zinc/36/68/29/282366829.db2.gz TTXBQQCYMWRAFU-LBPRGKRZSA-N 2 1 280.387 2.449 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])o1 ZINC000404438427 344880098 /nfs/dbraw/zinc/88/00/98/344880098.db2.gz SMLXGDSXVMTFFA-YPMHNXCESA-N 2 1 280.368 2.016 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])o1 ZINC000404438427 344880101 /nfs/dbraw/zinc/88/01/01/344880101.db2.gz SMLXGDSXVMTFFA-YPMHNXCESA-N 2 1 280.368 2.016 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])oc1C ZINC000404365390 344880273 /nfs/dbraw/zinc/88/02/73/344880273.db2.gz PHBSWCZNFRKJIX-XHDPSFHLSA-N 2 1 294.395 2.324 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])oc1C ZINC000404365390 344880278 /nfs/dbraw/zinc/88/02/78/344880278.db2.gz PHBSWCZNFRKJIX-XHDPSFHLSA-N 2 1 294.395 2.324 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cn1 ZINC000404492171 344880925 /nfs/dbraw/zinc/88/09/25/344880925.db2.gz BXNVSJACRXWRBA-GXTWGEPZSA-N 2 1 263.385 2.040 20 0 CEADMP COc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccn1 ZINC000584665722 344975675 /nfs/dbraw/zinc/97/56/75/344975675.db2.gz YCYRLJIRJJXHNF-UONOGXRCSA-N 2 1 277.412 2.473 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCC2CCOCC2)CC[C@@H]1[NH3+] ZINC000336785110 365803415 /nfs/dbraw/zinc/80/34/15/365803415.db2.gz BIPGYGQMFVKMNV-HIFRSBDPSA-N 2 1 254.418 2.252 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000589642277 345091920 /nfs/dbraw/zinc/09/19/20/345091920.db2.gz HMIRXRTYFWNMLS-UHFFFAOYSA-N 2 1 269.352 2.248 20 0 CEADMP COC1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339067576 214934031 /nfs/dbraw/zinc/93/40/31/214934031.db2.gz MNTNIQGXKBOYDG-LVDPKSTMSA-N 2 1 266.429 2.408 20 0 CEADMP CCc1noc(CN2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000590786141 345180536 /nfs/dbraw/zinc/18/05/36/345180536.db2.gz CBTMAPLHVSFYHS-UHFFFAOYSA-N 2 1 280.416 2.184 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCN2CCCC2=O)CC1 ZINC000590786940 345180813 /nfs/dbraw/zinc/18/08/13/345180813.db2.gz XWNTWGVOPCRGJN-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CCSCC[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000590602178 345151324 /nfs/dbraw/zinc/15/13/24/345151324.db2.gz GPCWPLCYGWGWBZ-KBPBESRZSA-N 2 1 276.490 2.151 20 0 CEADMP CCSCC[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000590602178 345151327 /nfs/dbraw/zinc/15/13/27/345151327.db2.gz GPCWPLCYGWGWBZ-KBPBESRZSA-N 2 1 276.490 2.151 20 0 CEADMP CCSCC[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000590602178 345151329 /nfs/dbraw/zinc/15/13/29/345151329.db2.gz GPCWPLCYGWGWBZ-KBPBESRZSA-N 2 1 276.490 2.151 20 0 CEADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000591272397 345236791 /nfs/dbraw/zinc/23/67/91/345236791.db2.gz HKVKARABDDMYFQ-SOUVJXGZSA-N 2 1 296.455 2.286 20 0 CEADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000305781188 201807615 /nfs/dbraw/zinc/80/76/15/201807615.db2.gz OSGQMQZHAOYVDN-ZBFHGGJFSA-N 2 1 278.440 2.255 20 0 CEADMP COC(=O)CC[N@@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000592431281 345353060 /nfs/dbraw/zinc/35/30/60/345353060.db2.gz PIUFTYUXJRFCHG-QGZVFWFLSA-N 2 1 290.407 2.051 20 0 CEADMP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000592493470 345360011 /nfs/dbraw/zinc/36/00/11/345360011.db2.gz QOBFPQBTUBNLAW-PMPSAXMXSA-N 2 1 294.439 2.040 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000127404304 187303285 /nfs/dbraw/zinc/30/32/85/187303285.db2.gz ZHQMVPCGGZHCJW-UHFFFAOYSA-N 2 1 281.400 2.245 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)OC(C)(C)C ZINC000127404304 187303287 /nfs/dbraw/zinc/30/32/87/187303287.db2.gz ZHQMVPCGGZHCJW-UHFFFAOYSA-N 2 1 281.400 2.245 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])o1 ZINC000593314238 345465439 /nfs/dbraw/zinc/46/54/39/345465439.db2.gz BPKZXKNSOMZKTH-TZMCWYRMSA-N 2 1 294.395 2.406 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])o1 ZINC000593314238 345465441 /nfs/dbraw/zinc/46/54/41/345465441.db2.gz BPKZXKNSOMZKTH-TZMCWYRMSA-N 2 1 294.395 2.406 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000593730811 345528774 /nfs/dbraw/zinc/52/87/74/345528774.db2.gz HKAOSDSYSKPSQE-DGCLKSJQSA-N 2 1 296.436 2.484 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000593730811 345528777 /nfs/dbraw/zinc/52/87/77/345528777.db2.gz HKAOSDSYSKPSQE-DGCLKSJQSA-N 2 1 296.436 2.484 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C(=O)OC(C)(C)C ZINC000594509868 345641013 /nfs/dbraw/zinc/64/10/13/345641013.db2.gz ITYQAXPWFLMTJA-LBPRGKRZSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057924381 362602163 /nfs/dbraw/zinc/60/21/63/362602163.db2.gz KWCOTVUFUCEHCF-UHFFFAOYSA-N 2 1 290.407 2.003 20 0 CEADMP COC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057924381 362602169 /nfs/dbraw/zinc/60/21/69/362602169.db2.gz KWCOTVUFUCEHCF-UHFFFAOYSA-N 2 1 290.407 2.003 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000623086396 349933818 /nfs/dbraw/zinc/93/38/18/349933818.db2.gz NVXQKESQLPRIGM-UHFFFAOYSA-N 2 1 287.392 2.204 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000623086921 349933829 /nfs/dbraw/zinc/93/38/29/349933829.db2.gz RSEARNQBONTNJV-UHFFFAOYSA-N 2 1 299.353 2.282 20 0 CEADMP CCSC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000595095168 345742240 /nfs/dbraw/zinc/74/22/40/345742240.db2.gz UGPRTXDLRQITLD-CQSZACIVSA-N 2 1 284.469 2.115 20 0 CEADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)OC(C)(C)C)C2 ZINC000595507816 345799608 /nfs/dbraw/zinc/79/96/08/345799608.db2.gz RJAIPFGGWGKGLX-INIZCTEOSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)OC(C)(C)C)C2 ZINC000595507816 345799610 /nfs/dbraw/zinc/79/96/10/345799610.db2.gz RJAIPFGGWGKGLX-INIZCTEOSA-N 2 1 282.428 2.136 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)OC(C)(C)C)C2 ZINC000595507816 345799613 /nfs/dbraw/zinc/79/96/13/345799613.db2.gz RJAIPFGGWGKGLX-INIZCTEOSA-N 2 1 282.428 2.136 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)OC(C)(C)C)C2 ZINC000595507816 345799615 /nfs/dbraw/zinc/79/96/15/345799615.db2.gz RJAIPFGGWGKGLX-INIZCTEOSA-N 2 1 282.428 2.136 20 0 CEADMP CCSCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900610 345910131 /nfs/dbraw/zinc/91/01/31/345910131.db2.gz IEPAAQRHHLIEHJ-AWEZNQCLSA-N 2 1 256.459 2.451 20 0 CEADMP CCSCC[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000597186907 346144147 /nfs/dbraw/zinc/14/41/47/346144147.db2.gz NOUBMUNPTWXLTM-INIZCTEOSA-N 2 1 294.464 2.096 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000597242763 346160044 /nfs/dbraw/zinc/16/00/44/346160044.db2.gz WLSXNFPDNFHTOA-GDBMZVCRSA-N 2 1 282.428 2.182 20 0 CEADMP c1coc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000061015766 362674018 /nfs/dbraw/zinc/67/40/18/362674018.db2.gz HLBKKZLZFARTSF-UHFFFAOYSA-N 2 1 299.418 2.187 20 0 CEADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000599070057 346455721 /nfs/dbraw/zinc/45/57/21/346455721.db2.gz JSJOSZIYIKGYGH-UONOGXRCSA-N 2 1 284.444 2.428 20 0 CEADMP C(C[C@H]1CCCCO1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336791424 365813196 /nfs/dbraw/zinc/81/31/96/365813196.db2.gz NLIMKZQBTXQZPE-OAHLLOKOSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cncs1 ZINC000129109447 365824804 /nfs/dbraw/zinc/82/48/04/365824804.db2.gz VVCTUZHJVVGTKW-SDDRHHMPSA-N 2 1 251.399 2.421 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cncs1 ZINC000129109447 365824808 /nfs/dbraw/zinc/82/48/08/365824808.db2.gz VVCTUZHJVVGTKW-SDDRHHMPSA-N 2 1 251.399 2.421 20 0 CEADMP COC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000602610507 347101244 /nfs/dbraw/zinc/10/12/44/347101244.db2.gz YSSXCFRJMSRIJI-UONOGXRCSA-N 2 1 282.428 2.182 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000351747598 219193933 /nfs/dbraw/zinc/19/39/33/219193933.db2.gz WQUOIYPCOYSTGI-HNNXBMFYSA-N 2 1 276.428 2.464 20 0 CEADMP COC(=O)C1C[C@@H](C)[NH+](CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000599697150 346570401 /nfs/dbraw/zinc/57/04/01/346570401.db2.gz RCRBBNDVWZAGBW-CHWSQXEVSA-N 2 1 293.411 2.244 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000336801646 365832332 /nfs/dbraw/zinc/83/23/32/365832332.db2.gz QUSVBCSUYKGJHX-ZIAGYGMSSA-N 2 1 262.401 2.073 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000336801646 365832338 /nfs/dbraw/zinc/83/23/38/365832338.db2.gz QUSVBCSUYKGJHX-ZIAGYGMSSA-N 2 1 262.401 2.073 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000336801646 365832342 /nfs/dbraw/zinc/83/23/42/365832342.db2.gz QUSVBCSUYKGJHX-ZIAGYGMSSA-N 2 1 262.401 2.073 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)O1 ZINC000336805559 365840837 /nfs/dbraw/zinc/84/08/37/365840837.db2.gz DPAFKFDCVAGHBX-KBMXLJTQSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)O1 ZINC000336805559 365840840 /nfs/dbraw/zinc/84/08/40/365840840.db2.gz DPAFKFDCVAGHBX-KBMXLJTQSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)O1 ZINC000336805559 365840843 /nfs/dbraw/zinc/84/08/43/365840843.db2.gz DPAFKFDCVAGHBX-KBMXLJTQSA-N 2 1 266.429 2.218 20 0 CEADMP C[N@@H+](C[C@H](O)CN1CC=C(C(C)(C)C)CC1)C1CC1 ZINC000336810325 365848903 /nfs/dbraw/zinc/84/89/03/365848903.db2.gz HOAJZALLEUQZOR-HNNXBMFYSA-N 2 1 266.429 2.120 20 0 CEADMP CN(C[C@H](O)C[N@H+]1CC=C(C(C)(C)C)CC1)C1CC1 ZINC000336810325 365848908 /nfs/dbraw/zinc/84/89/08/365848908.db2.gz HOAJZALLEUQZOR-HNNXBMFYSA-N 2 1 266.429 2.120 20 0 CEADMP CN(C[C@H](O)C[N@@H+]1CC=C(C(C)(C)C)CC1)C1CC1 ZINC000336810325 365848917 /nfs/dbraw/zinc/84/89/17/365848917.db2.gz HOAJZALLEUQZOR-HNNXBMFYSA-N 2 1 266.429 2.120 20 0 CEADMP CCSCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600729702 346679465 /nfs/dbraw/zinc/67/94/65/346679465.db2.gz ZXRQJOBBRDGVAP-VHSXEESVSA-N 2 1 270.364 2.199 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000336811664 365849933 /nfs/dbraw/zinc/84/99/33/365849933.db2.gz NZJQCIVPKUGHTE-HSBZDZAISA-N 2 1 270.417 2.038 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336821326 365870296 /nfs/dbraw/zinc/87/02/96/365870296.db2.gz HKLZMBNYRCJBOJ-CVEARBPZSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336821326 365870299 /nfs/dbraw/zinc/87/02/99/365870299.db2.gz HKLZMBNYRCJBOJ-CVEARBPZSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1nccn1CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000336820985 365869841 /nfs/dbraw/zinc/86/98/41/365869841.db2.gz GCNBUYGTRWHFTH-INIZCTEOSA-N 2 1 276.428 2.142 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+]CCC[N@@H+](C)C(C)C)C1 ZINC000601263809 346805692 /nfs/dbraw/zinc/80/56/92/346805692.db2.gz PZZRHKJUJZONKI-UHFFFAOYSA-N 2 1 270.417 2.038 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000606349463 347465829 /nfs/dbraw/zinc/46/58/29/347465829.db2.gz HLKRUTIFZJWJKN-HNNXBMFYSA-N 2 1 275.396 2.171 20 0 CEADMP Cc1[nH+]ccn1CCN1CC[NH+](C2CCCCC2)CC1 ZINC000336823939 365880307 /nfs/dbraw/zinc/88/03/07/365880307.db2.gz SBAHDTGYPWHEBC-UHFFFAOYSA-N 2 1 276.428 2.142 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000351849348 219224696 /nfs/dbraw/zinc/22/46/96/219224696.db2.gz GLLJOJJUIUKJKQ-WBVHZDCISA-N 2 1 276.424 2.305 20 0 CEADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000609137197 347627557 /nfs/dbraw/zinc/62/75/57/347627557.db2.gz PVASLEIPDXWQFE-UHFFFAOYSA-N 2 1 284.444 2.380 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000609137197 347627558 /nfs/dbraw/zinc/62/75/58/347627558.db2.gz PVASLEIPDXWQFE-UHFFFAOYSA-N 2 1 284.444 2.380 20 0 CEADMP Cc1nn(C)cc1[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130186765 365930534 /nfs/dbraw/zinc/93/05/34/365930534.db2.gz JZDPCZPEFUWJDK-IACUBPJLSA-N 2 1 262.401 2.006 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130186765 365930539 /nfs/dbraw/zinc/93/05/39/365930539.db2.gz JZDPCZPEFUWJDK-IACUBPJLSA-N 2 1 262.401 2.006 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130186765 365930545 /nfs/dbraw/zinc/93/05/45/365930545.db2.gz JZDPCZPEFUWJDK-IACUBPJLSA-N 2 1 262.401 2.006 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000086777856 179328919 /nfs/dbraw/zinc/32/89/19/179328919.db2.gz OTTCAKWLUGEMIP-QMMMGPOBSA-N 2 1 259.806 2.356 20 0 CEADMP [NH3+]C1CC[NH+](CCCc2nc(-c3ccsc3)no2)CC1 ZINC000339360218 215118631 /nfs/dbraw/zinc/11/86/31/215118631.db2.gz UPPUDYGUUWLWMM-UHFFFAOYSA-N 2 1 292.408 2.154 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000614335131 348181893 /nfs/dbraw/zinc/18/18/93/348181893.db2.gz MAZCBNHOBGEKJC-XUWVNRHRSA-N 2 1 295.471 2.190 20 0 CEADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000614335131 348181894 /nfs/dbraw/zinc/18/18/94/348181894.db2.gz MAZCBNHOBGEKJC-XUWVNRHRSA-N 2 1 295.471 2.190 20 0 CEADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000614335131 348181897 /nfs/dbraw/zinc/18/18/97/348181897.db2.gz MAZCBNHOBGEKJC-XUWVNRHRSA-N 2 1 295.471 2.190 20 0 CEADMP c1nc(C2CC2)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000335259509 539625301 /nfs/dbraw/zinc/62/53/01/539625301.db2.gz WMVMLZVLTDDXOO-BETUJISGSA-N 2 1 277.437 2.452 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357065367 233002751 /nfs/dbraw/zinc/00/27/51/233002751.db2.gz ARAKKQYAJVEQFK-WCVJEAGWSA-N 2 1 266.429 2.123 20 0 CEADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C2 ZINC000623354279 349996971 /nfs/dbraw/zinc/99/69/71/349996971.db2.gz LQVDANYCKJFUHN-LSDHHAIUSA-N 2 1 288.439 2.105 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617000364 348604507 /nfs/dbraw/zinc/60/45/07/348604507.db2.gz YRCWFNAXHBRVLG-ZIAGYGMSSA-N 2 1 297.487 2.390 20 0 CEADMP CC(C)CC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617505940 348717949 /nfs/dbraw/zinc/71/79/49/348717949.db2.gz VXPFULXQIZDKMO-HNNXBMFYSA-N 2 1 299.503 2.447 20 0 CEADMP CC(C)CC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617505940 348717951 /nfs/dbraw/zinc/71/79/51/348717951.db2.gz VXPFULXQIZDKMO-HNNXBMFYSA-N 2 1 299.503 2.447 20 0 CEADMP CCC(C)(CC)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507470 348718563 /nfs/dbraw/zinc/71/85/63/348718563.db2.gz XYBXNLGPFJPFFH-AWEZNQCLSA-N 2 1 285.476 2.201 20 0 CEADMP CCC(C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507470 348718566 /nfs/dbraw/zinc/71/85/66/348718566.db2.gz XYBXNLGPFJPFFH-AWEZNQCLSA-N 2 1 285.476 2.201 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)C(C)(C)C ZINC000617505826 348718880 /nfs/dbraw/zinc/71/88/80/348718880.db2.gz RDQNEEDTFAQKRS-UONOGXRCSA-N 2 1 285.476 2.057 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)C(C)(C)C ZINC000617505826 348718881 /nfs/dbraw/zinc/71/88/81/348718881.db2.gz RDQNEEDTFAQKRS-UONOGXRCSA-N 2 1 285.476 2.057 20 0 CEADMP Oc1ccccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068775 539659900 /nfs/dbraw/zinc/65/99/00/539659900.db2.gz NECBEIGQIMKRKL-CABCVRRESA-N 2 1 260.381 2.151 20 0 CEADMP c1ccc(NCCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000339067997 539660123 /nfs/dbraw/zinc/66/01/23/539660123.db2.gz IWKQUJYJLDTSMB-CVEARBPZSA-N 2 1 288.439 2.490 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000357796624 233147438 /nfs/dbraw/zinc/14/74/38/233147438.db2.gz PQUQDRRLPUKBDJ-YOEHRIQHSA-N 2 1 295.471 2.145 20 0 CEADMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618659628 349010817 /nfs/dbraw/zinc/01/08/17/349010817.db2.gz DUCXKIXVFAWQFX-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CN(C)c1c(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc(F)c1F ZINC000623485419 350031683 /nfs/dbraw/zinc/03/16/83/350031683.db2.gz YGMDMLVVQRTILM-UHFFFAOYSA-N 2 1 295.377 2.382 20 0 CEADMP CC[N@H+]1CCC[C@@H](CN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623384911 350006268 /nfs/dbraw/zinc/00/62/68/350006268.db2.gz RLJOJLOLHIDOHY-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC[C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623384911 350006271 /nfs/dbraw/zinc/00/62/71/350006271.db2.gz RLJOJLOLHIDOHY-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC[C@@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623384911 350006272 /nfs/dbraw/zinc/00/62/72/350006272.db2.gz RLJOJLOLHIDOHY-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623384911 350006276 /nfs/dbraw/zinc/00/62/76/350006276.db2.gz RLJOJLOLHIDOHY-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623384911 350006278 /nfs/dbraw/zinc/00/62/78/350006278.db2.gz RLJOJLOLHIDOHY-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623384911 350006284 /nfs/dbraw/zinc/00/62/84/350006284.db2.gz RLJOJLOLHIDOHY-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623396397 350008598 /nfs/dbraw/zinc/00/85/98/350008598.db2.gz QUDBFVBAIWLYHV-ZIAGYGMSSA-N 2 1 255.450 2.179 20 0 CEADMP CC[C@@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623396397 350008600 /nfs/dbraw/zinc/00/86/00/350008600.db2.gz QUDBFVBAIWLYHV-ZIAGYGMSSA-N 2 1 255.450 2.179 20 0 CEADMP CC[C@@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623396397 350008608 /nfs/dbraw/zinc/00/86/08/350008608.db2.gz QUDBFVBAIWLYHV-ZIAGYGMSSA-N 2 1 255.450 2.179 20 0 CEADMP Cc1noc(C)c1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623409732 350012099 /nfs/dbraw/zinc/01/20/99/350012099.db2.gz MWJIDVXWUDTNQK-CYBMUJFWSA-N 2 1 265.401 2.296 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1C1CC1 ZINC000623412338 350012721 /nfs/dbraw/zinc/01/27/21/350012721.db2.gz DSCCYHBLJYYMQQ-IWCQGFGOSA-N 2 1 280.456 2.248 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)C[N@H+]1C1CC1 ZINC000623443259 350022368 /nfs/dbraw/zinc/02/23/68/350022368.db2.gz WVKWCFMERQRVEQ-MGPQQGTHSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C[NH+]1C1CC1 ZINC000623443259 350022373 /nfs/dbraw/zinc/02/23/73/350022373.db2.gz WVKWCFMERQRVEQ-MGPQQGTHSA-N 2 1 265.445 2.074 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)CC1(C)C ZINC000623448867 350023049 /nfs/dbraw/zinc/02/30/49/350023049.db2.gz DDQINQVCAWVFAO-YJNKXOJESA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)CC1(C)C ZINC000623448862 350023328 /nfs/dbraw/zinc/02/33/28/350023328.db2.gz DDQINQVCAWVFAO-BYNSBNAKSA-N 2 1 266.429 2.406 20 0 CEADMP Cc1cc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[nH]n1 ZINC000623453348 350024776 /nfs/dbraw/zinc/02/47/76/350024776.db2.gz KRPCROMJOJVVKF-YPMHNXCESA-N 2 1 264.417 2.112 20 0 CEADMP Cc1cc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)n[nH]1 ZINC000623453348 350024780 /nfs/dbraw/zinc/02/47/80/350024780.db2.gz KRPCROMJOJVVKF-YPMHNXCESA-N 2 1 264.417 2.112 20 0 CEADMP Cc1cc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)n[nH]1 ZINC000623453348 350024782 /nfs/dbraw/zinc/02/47/82/350024782.db2.gz KRPCROMJOJVVKF-YPMHNXCESA-N 2 1 264.417 2.112 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)CC(C)(C)C)CC1(C)C ZINC000623468694 350027344 /nfs/dbraw/zinc/02/73/44/350027344.db2.gz CAUNGSMAZHEACI-OLZOCXBDSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H](O)Cc1ccccc1 ZINC000623469959 350028402 /nfs/dbraw/zinc/02/84/02/350028402.db2.gz YARKURNCTDDBQS-UAGQMJEPSA-N 2 1 290.451 2.441 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000623657426 350077473 /nfs/dbraw/zinc/07/74/73/350077473.db2.gz QKMKCOOWCUITBJ-XGUBFFRZSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1ccccc1C[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623503815 350036742 /nfs/dbraw/zinc/03/67/42/350036742.db2.gz PHVBWYKAVREPHF-IRXDYDNUSA-N 2 1 290.451 2.361 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)CC1(C)C ZINC000623535374 350043756 /nfs/dbraw/zinc/04/37/56/350043756.db2.gz XNDVLTXAEPPAMO-HZPDHXFCSA-N 2 1 294.414 2.192 20 0 CEADMP COC1([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623550432 350047447 /nfs/dbraw/zinc/04/74/47/350047447.db2.gz OGBMDYIPVDJEGB-OLZOCXBDSA-N 2 1 254.418 2.406 20 0 CEADMP c1ccc2c(c1)CO[C@H](C[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000623602426 350061585 /nfs/dbraw/zinc/06/15/85/350061585.db2.gz POZFDZNXLLGULD-BZSNNMDCSA-N 2 1 286.419 2.344 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000090720171 180030330 /nfs/dbraw/zinc/03/03/30/180030330.db2.gz ZORRZQYXXDHPAE-JSGCOSHPSA-N 2 1 276.380 2.030 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000090720171 180030332 /nfs/dbraw/zinc/03/03/32/180030332.db2.gz ZORRZQYXXDHPAE-JSGCOSHPSA-N 2 1 276.380 2.030 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)[C@@H](C)C1 ZINC000624054618 350180380 /nfs/dbraw/zinc/18/03/80/350180380.db2.gz IYZOZWVABGZOSO-JCGIZDLHSA-N 2 1 288.435 2.448 20 0 CEADMP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120728 350198577 /nfs/dbraw/zinc/19/85/77/350198577.db2.gz FSVVZLMZLNRDMA-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624123979 350201163 /nfs/dbraw/zinc/20/11/63/350201163.db2.gz VEKJPCWQASVDBR-UKRRQHHQSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123979 350201165 /nfs/dbraw/zinc/20/11/65/350201165.db2.gz VEKJPCWQASVDBR-UKRRQHHQSA-N 2 1 276.428 2.119 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000412097160 233339369 /nfs/dbraw/zinc/33/93/69/233339369.db2.gz UWSPARUXYSSFSA-UKRRQHHQSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000412097160 233339372 /nfs/dbraw/zinc/33/93/72/233339372.db2.gz UWSPARUXYSSFSA-UKRRQHHQSA-N 2 1 265.401 2.065 20 0 CEADMP CCCC(CCC)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666388 180222538 /nfs/dbraw/zinc/22/25/38/180222538.db2.gz QZMSHCQTYQNVAF-CABCVRRESA-N 2 1 254.418 2.408 20 0 CEADMP CCCC(CCC)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666388 180222540 /nfs/dbraw/zinc/22/25/40/180222540.db2.gz QZMSHCQTYQNVAF-CABCVRRESA-N 2 1 254.418 2.408 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000105442544 186057008 /nfs/dbraw/zinc/05/70/08/186057008.db2.gz BWIQHMTUFMGJPM-LBPRGKRZSA-N 2 1 283.379 2.494 20 0 CEADMP CCC(CC)Nc1cc[nH+]cc1NC(=O)C[N@@H+](C)C(C)C ZINC000568934316 299167664 /nfs/dbraw/zinc/16/76/64/299167664.db2.gz HKHUCARLUZTLGO-UHFFFAOYSA-N 2 1 292.427 2.383 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000625221603 350434262 /nfs/dbraw/zinc/43/42/62/350434262.db2.gz BFBIZFRGZNNAFP-OWCLPIDISA-N 2 1 266.429 2.218 20 0 CEADMP CCO[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000625221603 350434266 /nfs/dbraw/zinc/43/42/66/350434266.db2.gz BFBIZFRGZNNAFP-OWCLPIDISA-N 2 1 266.429 2.218 20 0 CEADMP CCO[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1CC1 ZINC000625221603 350434269 /nfs/dbraw/zinc/43/42/69/350434269.db2.gz BFBIZFRGZNNAFP-OWCLPIDISA-N 2 1 266.429 2.218 20 0 CEADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000105862156 186079558 /nfs/dbraw/zinc/07/95/58/186079558.db2.gz FWUIFIPVYRQGJP-HNNXBMFYSA-N 2 1 276.424 2.211 20 0 CEADMP Fc1ccc(SCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107574517 186179411 /nfs/dbraw/zinc/17/94/11/186179411.db2.gz NZUIBXYXRLBUCM-RYUDHWBXSA-N 2 1 266.385 2.069 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000108427969 186216947 /nfs/dbraw/zinc/21/69/47/186216947.db2.gz OGUQMUSYDLXSKM-AWEZNQCLSA-N 2 1 272.392 2.394 20 0 CEADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccs1 ZINC000110757746 186321486 /nfs/dbraw/zinc/32/14/86/186321486.db2.gz KTRBAMDTJKEWLC-CYBMUJFWSA-N 2 1 281.469 2.425 20 0 CEADMP COCCCC[N@H+]1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337042089 365997632 /nfs/dbraw/zinc/99/76/32/365997632.db2.gz BYHMTAOAMHUIHI-JKSUJKDBSA-N 2 1 262.397 2.087 20 0 CEADMP CCC1([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCOCC1 ZINC000628233962 351020264 /nfs/dbraw/zinc/02/02/64/351020264.db2.gz DZKLFOAAPRKKPW-ZDUSSCGKSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1nc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)[nH]c1C ZINC000628280238 351039229 /nfs/dbraw/zinc/03/92/29/351039229.db2.gz XBAOQSUTUWGTLM-HNNXBMFYSA-N 2 1 276.428 2.190 20 0 CEADMP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccsc1 ZINC000629521744 351387411 /nfs/dbraw/zinc/38/74/11/351387411.db2.gz SOTMCAQLJCWALD-GFCCVEGCSA-N 2 1 254.399 2.297 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000629527379 351391351 /nfs/dbraw/zinc/39/13/51/351391351.db2.gz TYTSLPZVELGMMM-DGAVXFQQSA-N 2 1 254.418 2.310 20 0 CEADMP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000629529074 351393581 /nfs/dbraw/zinc/39/35/81/351393581.db2.gz QZNGRHAIQKNZTO-GASCZTMLSA-N 2 1 259.397 2.165 20 0 CEADMP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000629529074 351393583 /nfs/dbraw/zinc/39/35/83/351393583.db2.gz QZNGRHAIQKNZTO-GASCZTMLSA-N 2 1 259.397 2.165 20 0 CEADMP COc1ccncc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000629532358 351395819 /nfs/dbraw/zinc/39/58/19/351395819.db2.gz WRPJGOSMGSKQGU-GJZGRUSLSA-N 2 1 289.423 2.302 20 0 CEADMP CCO[C@H](C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C1CC1 ZINC000629533946 351397014 /nfs/dbraw/zinc/39/70/14/351397014.db2.gz FCYMLCLOVCZALL-OWCLPIDISA-N 2 1 266.429 2.266 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCCC(C)(C)C1 ZINC000629653142 351450567 /nfs/dbraw/zinc/45/05/67/351450567.db2.gz FXXZEQJQYOUOKS-AWEZNQCLSA-N 2 1 256.434 2.371 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1O ZINC000629660797 351455317 /nfs/dbraw/zinc/45/53/17/351455317.db2.gz ZNKDVRFZBQMNAD-VNHYZAJKSA-N 2 1 292.423 2.452 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1ccccc1OC1CCCC1 ZINC000629663927 351455994 /nfs/dbraw/zinc/45/59/94/351455994.db2.gz NAHOIWLITLVZOR-UHFFFAOYSA-N 2 1 292.423 2.415 20 0 CEADMP CC[C@H](C[N@@H+](C)CCOCC[NH3+])c1ccccc1 ZINC000629664107 351456807 /nfs/dbraw/zinc/45/68/07/351456807.db2.gz OMHFOQLYKQDJFV-CQSZACIVSA-N 2 1 250.386 2.087 20 0 CEADMP CC[C@@H](C[N@@H+](C)CCOCC[NH3+])c1ccccc1 ZINC000629664105 351457085 /nfs/dbraw/zinc/45/70/85/351457085.db2.gz OMHFOQLYKQDJFV-AWEZNQCLSA-N 2 1 250.386 2.087 20 0 CEADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)CCOCC[NH3+] ZINC000629664949 351457198 /nfs/dbraw/zinc/45/71/98/351457198.db2.gz LXYFLBOFILEKHA-UHFFFAOYSA-N 2 1 290.329 2.421 20 0 CEADMP Cn1cnc2cc(C[N@@H+]3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)ccc21 ZINC000629668683 351458780 /nfs/dbraw/zinc/45/87/80/351458780.db2.gz ZIFZQMAPKSIVNO-CALCHBBNSA-N 2 1 284.407 2.005 20 0 CEADMP Cn1cnc2cc(C[N@H+]3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)ccc21 ZINC000629668683 351458784 /nfs/dbraw/zinc/45/87/84/351458784.db2.gz ZIFZQMAPKSIVNO-CALCHBBNSA-N 2 1 284.407 2.005 20 0 CEADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629550326 351409556 /nfs/dbraw/zinc/40/95/56/351409556.db2.gz LQQZNJNJNCWMCD-VXGBXAGGSA-N 2 1 294.361 2.466 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000629563825 351416234 /nfs/dbraw/zinc/41/62/34/351416234.db2.gz REAKQBGMRHKOEO-RWMBFGLXSA-N 2 1 294.361 2.261 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccccc1SC ZINC000629572382 351418784 /nfs/dbraw/zinc/41/87/84/351418784.db2.gz RKXMTQRKVKVOLC-UHFFFAOYSA-N 2 1 268.426 2.076 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(OC(C)C)cc1 ZINC000629572268 351419330 /nfs/dbraw/zinc/41/93/30/351419330.db2.gz YISXITGGPMMJCX-UHFFFAOYSA-N 2 1 280.412 2.142 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000070149672 363036629 /nfs/dbraw/zinc/03/66/29/363036629.db2.gz JCEYQIGMCZSROT-HNNXBMFYSA-N 2 1 276.380 2.177 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000070148335 363037074 /nfs/dbraw/zinc/03/70/74/363037074.db2.gz RIKUBFKZVGINNA-HNNXBMFYSA-N 2 1 276.380 2.177 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000070171751 363045370 /nfs/dbraw/zinc/04/53/70/363045370.db2.gz XISTVLFYBFHPLO-WFASDCNBSA-N 2 1 260.381 2.181 20 0 CEADMP C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCC1 ZINC000630004228 351582291 /nfs/dbraw/zinc/58/22/91/351582291.db2.gz RBHLTKIOLQZVDB-HNNXBMFYSA-N 2 1 293.455 2.042 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CCO1 ZINC000569103486 299179652 /nfs/dbraw/zinc/17/96/52/299179652.db2.gz IVANBWFGPVGJLW-OAGGEKHMSA-N 2 1 266.429 2.267 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2nccnc12 ZINC000291593926 198045311 /nfs/dbraw/zinc/04/53/11/198045311.db2.gz QABDLKYJJAGVBW-UHFFFAOYSA-N 2 1 275.400 2.122 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1F ZINC000131564743 366066009 /nfs/dbraw/zinc/06/60/09/366066009.db2.gz WVIUHNBZMAGBAA-ZYHUDNBSSA-N 2 1 252.333 2.003 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1F ZINC000131564743 366066010 /nfs/dbraw/zinc/06/60/10/366066010.db2.gz WVIUHNBZMAGBAA-ZYHUDNBSSA-N 2 1 252.333 2.003 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCOc2ccccc2)CC[N@@H+]1C ZINC000123363350 187087179 /nfs/dbraw/zinc/08/71/79/187087179.db2.gz OOCQOSAJLNVWCA-LSDHHAIUSA-N 2 1 262.397 2.480 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCOc2ccccc2)CC[N@H+]1C ZINC000123363350 187087180 /nfs/dbraw/zinc/08/71/80/187087180.db2.gz OOCQOSAJLNVWCA-LSDHHAIUSA-N 2 1 262.397 2.480 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CCOc2ccccc2)CC[NH+]1C ZINC000123363350 187087181 /nfs/dbraw/zinc/08/71/81/187087181.db2.gz OOCQOSAJLNVWCA-LSDHHAIUSA-N 2 1 262.397 2.480 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccccc2)CC[NH+]1C ZINC000123363350 187087182 /nfs/dbraw/zinc/08/71/82/187087182.db2.gz OOCQOSAJLNVWCA-LSDHHAIUSA-N 2 1 262.397 2.480 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1(O)CCCC1 ZINC000123785039 187108527 /nfs/dbraw/zinc/10/85/27/187108527.db2.gz XPPZBZDLLOBCKN-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1(O)CCCC1 ZINC000123785039 187108528 /nfs/dbraw/zinc/10/85/28/187108528.db2.gz XPPZBZDLLOBCKN-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1(O)CCCC1 ZINC000123785039 187108529 /nfs/dbraw/zinc/10/85/29/187108529.db2.gz XPPZBZDLLOBCKN-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP COc1ccc(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123812982 187109584 /nfs/dbraw/zinc/10/95/84/187109584.db2.gz QENZBWDPFQIYJN-LSDHHAIUSA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123812982 187109585 /nfs/dbraw/zinc/10/95/85/187109585.db2.gz QENZBWDPFQIYJN-LSDHHAIUSA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123812982 187109586 /nfs/dbraw/zinc/10/95/86/187109586.db2.gz QENZBWDPFQIYJN-LSDHHAIUSA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123812982 187109587 /nfs/dbraw/zinc/10/95/87/187109587.db2.gz QENZBWDPFQIYJN-LSDHHAIUSA-N 2 1 292.423 2.489 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631098769 351962628 /nfs/dbraw/zinc/96/26/28/351962628.db2.gz SBORNPPSDVTXBS-OAHLLOKOSA-N 2 1 277.412 2.245 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1(C)COC1 ZINC000631197449 352011416 /nfs/dbraw/zinc/01/14/16/352011416.db2.gz ZIHKFHISKGOJKH-DOTOQJQBSA-N 2 1 288.435 2.381 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](NC3CC[NH+](C)CC3)C2)cc1 ZINC000631259819 352043468 /nfs/dbraw/zinc/04/34/68/352043468.db2.gz ZAYOMTCIUITERX-SFHVURJKSA-N 2 1 287.451 2.253 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](NC3CC[NH+](C)CC3)C2)cc1 ZINC000631259819 352043471 /nfs/dbraw/zinc/04/34/71/352043471.db2.gz ZAYOMTCIUITERX-SFHVURJKSA-N 2 1 287.451 2.253 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292038962 198142634 /nfs/dbraw/zinc/14/26/34/198142634.db2.gz AEYPKUPYPIEYRV-GOSISDBHSA-N 2 1 298.434 2.143 20 0 CEADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292038962 198142636 /nfs/dbraw/zinc/14/26/36/198142636.db2.gz AEYPKUPYPIEYRV-GOSISDBHSA-N 2 1 298.434 2.143 20 0 CEADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292038962 198142637 /nfs/dbraw/zinc/14/26/37/198142637.db2.gz AEYPKUPYPIEYRV-GOSISDBHSA-N 2 1 298.434 2.143 20 0 CEADMP Cc1cccc(OCC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292113226 198167691 /nfs/dbraw/zinc/16/76/91/198167691.db2.gz JFYKTUNNKZYCDB-QGZVFWFLSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1cccc(OCC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292113226 198167692 /nfs/dbraw/zinc/16/76/92/198167692.db2.gz JFYKTUNNKZYCDB-QGZVFWFLSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292113226 198167694 /nfs/dbraw/zinc/16/76/94/198167694.db2.gz JFYKTUNNKZYCDB-QGZVFWFLSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292113226 198167695 /nfs/dbraw/zinc/16/76/95/198167695.db2.gz JFYKTUNNKZYCDB-QGZVFWFLSA-N 2 1 274.408 2.401 20 0 CEADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000669694227 539944426 /nfs/dbraw/zinc/94/44/26/539944426.db2.gz IMVNQVOBZBEJRW-DJIMGWMZSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000669694227 539944430 /nfs/dbraw/zinc/94/44/30/539944430.db2.gz IMVNQVOBZBEJRW-DJIMGWMZSA-N 2 1 276.424 2.258 20 0 CEADMP C[NH+](C)CC1(C[NH2+]Cc2cncc(F)c2)CCCC1 ZINC000494464378 290975136 /nfs/dbraw/zinc/97/51/36/290975136.db2.gz QRXDFJDHCODBDW-UHFFFAOYSA-N 2 1 265.376 2.432 20 0 CEADMP c1cncc(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000249904372 539963248 /nfs/dbraw/zinc/96/32/48/539963248.db2.gz JMBXNNVRTREXRY-JKSUJKDBSA-N 2 1 259.397 2.088 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000152286449 188007256 /nfs/dbraw/zinc/00/72/56/188007256.db2.gz MQPJKHCFFMPWIO-OWCLPIDISA-N 2 1 273.424 2.338 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3)C2)CC[N@H+]1C ZINC000152286449 188007257 /nfs/dbraw/zinc/00/72/57/188007257.db2.gz MQPJKHCFFMPWIO-OWCLPIDISA-N 2 1 273.424 2.338 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOCc1ccccc1)C2 ZINC000309811896 539968155 /nfs/dbraw/zinc/96/81/55/539968155.db2.gz WTJASEHNZWWTMD-IRXDYDNUSA-N 2 1 274.408 2.264 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000153746408 188100332 /nfs/dbraw/zinc/10/03/32/188100332.db2.gz AQKADJYPCCWUQW-CYBMUJFWSA-N 2 1 298.402 2.453 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000131762935 366086049 /nfs/dbraw/zinc/08/60/49/366086049.db2.gz GBGSMKCVGPAMIL-ZIAGYGMSSA-N 2 1 270.380 2.041 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccc(OC)c(OC)c2)CC[C@H]1[NH3+] ZINC000251551159 539977439 /nfs/dbraw/zinc/97/74/39/539977439.db2.gz BCQRGEJRDDEJAS-UONOGXRCSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2)CC[C@H]1[NH3+] ZINC000251551159 539977441 /nfs/dbraw/zinc/97/74/41/539977441.db2.gz BCQRGEJRDDEJAS-UONOGXRCSA-N 2 1 278.396 2.263 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(CCOc2cccc(OC)c2)C1 ZINC000155044259 188178151 /nfs/dbraw/zinc/17/81/51/188178151.db2.gz XCWOZILXXQKSCR-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2cccc(OC)c2)C1 ZINC000155044259 188178152 /nfs/dbraw/zinc/17/81/52/188178152.db2.gz XCWOZILXXQKSCR-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cccc(OC)c2)C1 ZINC000155044259 188178153 /nfs/dbraw/zinc/17/81/53/188178153.db2.gz XCWOZILXXQKSCR-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc(OC)c2)C1 ZINC000155044259 188178154 /nfs/dbraw/zinc/17/81/54/188178154.db2.gz XCWOZILXXQKSCR-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc(OC)c2)C1 ZINC000155044259 188178156 /nfs/dbraw/zinc/17/81/56/188178156.db2.gz XCWOZILXXQKSCR-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000155421506 188205638 /nfs/dbraw/zinc/20/56/38/188205638.db2.gz SNYDDPSVJRLJQM-IUODEOHRSA-N 2 1 275.396 2.217 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000155421506 188205640 /nfs/dbraw/zinc/20/56/40/188205640.db2.gz SNYDDPSVJRLJQM-IUODEOHRSA-N 2 1 275.396 2.217 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(O)c3)CC[C@@H]21 ZINC000156094931 188242460 /nfs/dbraw/zinc/24/24/60/188242460.db2.gz TVUBQAKTWMDRJZ-ZBFHGGJFSA-N 2 1 260.381 2.308 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(O)c3)CC[C@@H]21 ZINC000156094931 188242461 /nfs/dbraw/zinc/24/24/61/188242461.db2.gz TVUBQAKTWMDRJZ-ZBFHGGJFSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(O)c3)CC[C@@H]21 ZINC000156094931 188242462 /nfs/dbraw/zinc/24/24/62/188242462.db2.gz TVUBQAKTWMDRJZ-ZBFHGGJFSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(O)c3)CC[C@@H]21 ZINC000156094931 188242464 /nfs/dbraw/zinc/24/24/64/188242464.db2.gz TVUBQAKTWMDRJZ-ZBFHGGJFSA-N 2 1 260.381 2.308 20 0 CEADMP CC1CCC(O)(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000156117683 539999013 /nfs/dbraw/zinc/99/90/13/539999013.db2.gz RXFOYGCIHPIVKB-PWUWZPNHSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnccn1 ZINC000158655837 188386798 /nfs/dbraw/zinc/38/67/98/188386798.db2.gz GDPXGJSRNZIALE-ZNMIVQPWSA-N 2 1 276.428 2.495 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCSC2)C1 ZINC000494934544 291006285 /nfs/dbraw/zinc/00/62/85/291006285.db2.gz GFYSKJNLOZVYKX-KGLIPLIRSA-N 2 1 256.459 2.403 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000494934544 291006287 /nfs/dbraw/zinc/00/62/87/291006287.db2.gz GFYSKJNLOZVYKX-KGLIPLIRSA-N 2 1 256.459 2.403 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000494934544 291006290 /nfs/dbraw/zinc/00/62/90/291006290.db2.gz GFYSKJNLOZVYKX-KGLIPLIRSA-N 2 1 256.459 2.403 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cncc(F)c1 ZINC000132160381 366122639 /nfs/dbraw/zinc/12/26/39/366122639.db2.gz UPHZYMVBYSIUOB-LLVKDONJSA-N 2 1 253.365 2.459 20 0 CEADMP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000357079504 283004653 /nfs/dbraw/zinc/00/46/53/283004653.db2.gz METKPKGKCUYIQQ-WOSRLPQWSA-N 2 1 260.356 2.354 20 0 CEADMP FC(F)O[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337563376 366163471 /nfs/dbraw/zinc/16/34/71/366163471.db2.gz WTWWIOPTKREZJF-MROQNXINSA-N 2 1 274.355 2.363 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H]2COC3(CCCCCC3)O2)CC1 ZINC000133277253 366210219 /nfs/dbraw/zinc/21/02/19/366210219.db2.gz HHUFSTIXIRRZPM-HNNXBMFYSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCOCC2)[C@H]1c1ccccc1 ZINC000364303734 283042677 /nfs/dbraw/zinc/04/26/77/283042677.db2.gz OILVXCMUHXJODZ-DOTOQJQBSA-N 2 1 274.408 2.448 20 0 CEADMP COc1c(Br)cccc1C[N@H+](C)CCC[NH3+] ZINC000569908985 299224886 /nfs/dbraw/zinc/22/48/86/299224886.db2.gz AEDAPHSDOFLDEL-UHFFFAOYSA-N 2 1 287.201 2.238 20 0 CEADMP COc1c(Br)cccc1C[N@@H+](C)CCC[NH3+] ZINC000569908985 299224888 /nfs/dbraw/zinc/22/48/88/299224888.db2.gz AEDAPHSDOFLDEL-UHFFFAOYSA-N 2 1 287.201 2.238 20 0 CEADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000401091165 540076171 /nfs/dbraw/zinc/07/61/71/540076171.db2.gz VQKRGCDKOIFVBY-CVEARBPZSA-N 2 1 273.424 2.457 20 0 CEADMP [NH3+]CCC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000034348409 540067287 /nfs/dbraw/zinc/06/72/87/540067287.db2.gz LIGHRKPXLGVDIX-UHFFFAOYSA-N 2 1 264.344 2.069 20 0 CEADMP C/C=C\C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000682535206 540109569 /nfs/dbraw/zinc/10/95/69/540109569.db2.gz BYHYWCRFTWZMIY-HMPZPJAKSA-N 2 1 254.418 2.289 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000257639686 540101298 /nfs/dbraw/zinc/10/12/98/540101298.db2.gz APENLGLYKNEUEP-INIZCTEOSA-N 2 1 260.381 2.271 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000257639686 540101303 /nfs/dbraw/zinc/10/13/03/540101303.db2.gz APENLGLYKNEUEP-INIZCTEOSA-N 2 1 260.381 2.271 20 0 CEADMP CC[NH+]1C[C@@H](C)N(C(=O)CC[N@@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000516784964 540112352 /nfs/dbraw/zinc/11/23/52/540112352.db2.gz SJGMIQYJXZXFGE-HRCADAONSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1C[C@@H](C)N(C(=O)CC[N@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000516784964 540112355 /nfs/dbraw/zinc/11/23/55/540112355.db2.gz SJGMIQYJXZXFGE-HRCADAONSA-N 2 1 295.471 2.192 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000459425064 540114855 /nfs/dbraw/zinc/11/48/55/540114855.db2.gz LLDDFNAIRSLARG-MRXNPFEDSA-N 2 1 287.407 2.312 20 0 CEADMP C[N@H+]1CCCC12CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC000336358790 213208360 /nfs/dbraw/zinc/20/83/60/213208360.db2.gz XQTJVPUTFYBRNE-UHFFFAOYSA-N 2 1 298.390 2.035 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261710483 540150389 /nfs/dbraw/zinc/15/03/89/540150389.db2.gz JDIXTWYLRQHWOR-SOUVJXGZSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309813634 540160966 /nfs/dbraw/zinc/16/09/66/540160966.db2.gz XGEMFXOCRKUZJP-MELADBBJSA-N 2 1 299.459 2.220 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)[C@H]2CCC[C@@H]21 ZINC000353671642 283141608 /nfs/dbraw/zinc/14/16/08/283141608.db2.gz LHBDXSSFCOCYFV-NRKLIOEPSA-N 2 1 278.440 2.406 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C1CCCCC1 ZINC000385204751 540225368 /nfs/dbraw/zinc/22/53/68/540225368.db2.gz VQOFUUNHBSJEBV-CABCVRRESA-N 2 1 256.434 2.248 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1scnc1C1CC1 ZINC000414972071 540248405 /nfs/dbraw/zinc/24/84/05/540248405.db2.gz LVQCIMCNUPGHQU-LBPRGKRZSA-N 2 1 265.426 2.498 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](OC)C2)C1 ZINC000684374242 540253898 /nfs/dbraw/zinc/25/38/98/540253898.db2.gz LQNUYMBWTDPHBO-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+](CCCO[C@H]1CCCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000338309724 366287166 /nfs/dbraw/zinc/28/71/66/366287166.db2.gz VVEAGJIHMQRPPF-CVEARBPZSA-N 2 1 284.444 2.193 20 0 CEADMP C[NH+](CCCO[C@H]1CCCCO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000338309724 366287173 /nfs/dbraw/zinc/28/71/73/366287173.db2.gz VVEAGJIHMQRPPF-CVEARBPZSA-N 2 1 284.444 2.193 20 0 CEADMP C[NH+](CCCO[C@H]1CCCCO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000338309724 366287181 /nfs/dbraw/zinc/28/71/81/366287181.db2.gz VVEAGJIHMQRPPF-CVEARBPZSA-N 2 1 284.444 2.193 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000452174828 283214555 /nfs/dbraw/zinc/21/45/55/283214555.db2.gz RESBFNPCZHBLEO-KBPBESRZSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]1CC(CC[NH2+]C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000338480414 366375996 /nfs/dbraw/zinc/37/59/96/366375996.db2.gz IROHRINSFJTGJQ-STQMWFEESA-N 2 1 254.418 2.264 20 0 CEADMP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC000347900461 283222101 /nfs/dbraw/zinc/22/21/01/283222101.db2.gz HLMMDYJOBKYZDN-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP Cn1c2ccccc2[nH+]c1NCC[C@@H]1CCC[NH2+]C1 ZINC000079048477 363569492 /nfs/dbraw/zinc/56/94/92/363569492.db2.gz GSPOTMKCXWYTNM-LBPRGKRZSA-N 2 1 258.369 2.375 20 0 CEADMP CCOc1c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(C)nn1CC(C)C ZINC000570332403 299254287 /nfs/dbraw/zinc/25/42/87/299254287.db2.gz POSSRTMFHMFWCE-OLZOCXBDSA-N 2 1 296.459 2.462 20 0 CEADMP Cc1[nH+]ccn1CC[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000336267293 213104485 /nfs/dbraw/zinc/10/44/85/213104485.db2.gz DFAKSOJFHWJXFK-UHFFFAOYSA-N 2 1 277.412 2.209 20 0 CEADMP C[N@@H+](CC1(C)CCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457416 540322599 /nfs/dbraw/zinc/32/25/99/540322599.db2.gz BVDNSAWHZJBAMJ-MRXNPFEDSA-N 2 1 279.472 2.277 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H]1C ZINC000354510831 291124039 /nfs/dbraw/zinc/12/40/39/291124039.db2.gz MJCAMLZNKCTWLH-ZQNQSHIBSA-N 2 1 282.428 2.037 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H]1C ZINC000354510831 291124043 /nfs/dbraw/zinc/12/40/43/291124043.db2.gz MJCAMLZNKCTWLH-ZQNQSHIBSA-N 2 1 282.428 2.037 20 0 CEADMP Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000156975053 540348874 /nfs/dbraw/zinc/34/88/74/540348874.db2.gz BQWNCQDEKAKFQL-UHFFFAOYSA-N 2 1 268.364 2.107 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000389303640 540350711 /nfs/dbraw/zinc/35/07/11/540350711.db2.gz CZGYYYRIUSIFTO-MAZHCROVSA-N 2 1 259.397 2.205 20 0 CEADMP C[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)F)C[NH+]1CCCCC1 ZINC000577858951 366407938 /nfs/dbraw/zinc/40/79/38/366407938.db2.gz FDURGDLRWALHGF-RYUDHWBXSA-N 2 1 282.350 2.011 20 0 CEADMP C[C@@H]([NH2+]CCc1ccnn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338570893 366418122 /nfs/dbraw/zinc/41/81/22/366418122.db2.gz JIQPHECNMSDYJK-CABCVRRESA-N 2 1 290.455 2.205 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000578079860 366441771 /nfs/dbraw/zinc/44/17/71/366441771.db2.gz FJLLGBZNMHFQAI-OAHLLOKOSA-N 2 1 277.412 2.101 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000578079860 366441773 /nfs/dbraw/zinc/44/17/73/366441773.db2.gz FJLLGBZNMHFQAI-OAHLLOKOSA-N 2 1 277.412 2.101 20 0 CEADMP CC(=O)N1CC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000570864612 299282661 /nfs/dbraw/zinc/28/26/61/299282661.db2.gz YEMRWWFCVZRQBX-GFCCVEGCSA-N 2 1 298.390 2.062 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338785446 366522228 /nfs/dbraw/zinc/52/22/28/366522228.db2.gz NFQCRMSCBOHFAK-KCXAZCMYSA-N 2 1 295.858 2.482 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338785446 366522233 /nfs/dbraw/zinc/52/22/33/366522233.db2.gz NFQCRMSCBOHFAK-KCXAZCMYSA-N 2 1 295.858 2.482 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000275787920 540422202 /nfs/dbraw/zinc/42/22/02/540422202.db2.gz QYKVLTZGKODBEO-OAGGEKHMSA-N 2 1 289.423 2.066 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(=O)[nH]n1 ZINC000353459080 299289274 /nfs/dbraw/zinc/28/92/74/299289274.db2.gz GLSIUKFVRKYYST-KBPBESRZSA-N 2 1 292.427 2.345 20 0 CEADMP Cc1[nH+]ccn1CCN(C)CC[NH+](C(C)C)C(C)C ZINC000356338725 370665458 /nfs/dbraw/zinc/66/54/58/370665458.db2.gz FBSHDARAYLVMQM-UHFFFAOYSA-N 2 1 266.433 2.242 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417398127 237108695 /nfs/dbraw/zinc/10/86/95/237108695.db2.gz HHNOILGXHOGVQJ-LEUOFYLZSA-N 2 1 288.435 2.400 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCN2Cc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000671744341 540497536 /nfs/dbraw/zinc/49/75/36/540497536.db2.gz SMNQGQBILYHVPT-CEXWTWQISA-N 2 1 299.462 2.465 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000377559253 291191827 /nfs/dbraw/zinc/19/18/27/291191827.db2.gz BGLSSWOMUFOFNY-GDBMZVCRSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2scnc2C2CC2)CC1 ZINC000487574017 540638117 /nfs/dbraw/zinc/63/81/17/540638117.db2.gz NXDCCFXBAYBVJB-UHFFFAOYSA-N 2 1 263.410 2.372 20 0 CEADMP C[C@@](O)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000297583886 200233496 /nfs/dbraw/zinc/23/34/96/200233496.db2.gz IQILFBFZKKDPBF-QGZVFWFLSA-N 2 1 292.398 2.250 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000151085499 366618388 /nfs/dbraw/zinc/61/83/88/366618388.db2.gz MYHIRZVMZCJNIZ-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000151085499 366618392 /nfs/dbraw/zinc/61/83/92/366618392.db2.gz MYHIRZVMZCJNIZ-OWCLPIDISA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000151085499 366618396 /nfs/dbraw/zinc/61/83/96/366618396.db2.gz MYHIRZVMZCJNIZ-OWCLPIDISA-N 3 1 281.488 2.427 20 0 CEADMP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccccc1 ZINC000579227389 366611572 /nfs/dbraw/zinc/61/15/72/366611572.db2.gz FIIULKHVQKQTRR-LBPRGKRZSA-N 2 1 285.395 2.123 20 0 CEADMP COC1(CC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CCC1 ZINC000339045606 366629022 /nfs/dbraw/zinc/62/90/22/366629022.db2.gz XEKDVBMUNBZGLQ-BZUAXINKSA-N 2 1 296.455 2.129 20 0 CEADMP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339065998 366638347 /nfs/dbraw/zinc/63/83/47/366638347.db2.gz DKEWMZXDOUVYKQ-ROUUACIJSA-N 3 1 287.451 2.465 20 0 CEADMP C[NH+](C)Cc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339065998 366638356 /nfs/dbraw/zinc/63/83/56/366638356.db2.gz DKEWMZXDOUVYKQ-ROUUACIJSA-N 2 1 287.451 2.465 20 0 CEADMP C[NH+](C)Cc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339065998 366638362 /nfs/dbraw/zinc/63/83/62/366638362.db2.gz DKEWMZXDOUVYKQ-ROUUACIJSA-N 2 1 287.451 2.465 20 0 CEADMP O=C1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1c1ccccc1 ZINC000339069557 366640607 /nfs/dbraw/zinc/64/06/07/366640607.db2.gz XHGIYMHFXMZYRU-HLLBOEOZSA-N 2 1 299.418 2.008 20 0 CEADMP O=C1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CN1c1ccccc1 ZINC000339069557 366640611 /nfs/dbraw/zinc/64/06/11/366640611.db2.gz XHGIYMHFXMZYRU-HLLBOEOZSA-N 2 1 299.418 2.008 20 0 CEADMP C(C1CC1)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339077001 366642885 /nfs/dbraw/zinc/64/28/85/366642885.db2.gz XJTKHIDOUDCWIX-IAGOWNOFSA-N 2 1 277.456 2.077 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000298191136 200356265 /nfs/dbraw/zinc/35/62/65/200356265.db2.gz ADRHTCRIXHSJAI-WBVHZDCISA-N 2 1 292.423 2.193 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccn2C)CC1 ZINC000176748306 189007659 /nfs/dbraw/zinc/00/76/59/189007659.db2.gz IQPMTNXJSJBFJK-UHFFFAOYSA-N 2 1 279.428 2.004 20 0 CEADMP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000341879819 216135957 /nfs/dbraw/zinc/13/59/57/216135957.db2.gz OYRDWAARMPSKLS-HOTGVXAUSA-N 2 1 290.455 2.186 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccsc1 ZINC000177988301 189083652 /nfs/dbraw/zinc/08/36/52/189083652.db2.gz PCYBEBMQGBIEQW-GFCCVEGCSA-N 2 1 256.415 2.367 20 0 CEADMP Cc1cccc2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cn21 ZINC000342114306 216221879 /nfs/dbraw/zinc/22/18/79/216221879.db2.gz CPUFONAFULCDLT-IMJJTQAJSA-N 2 1 284.407 2.202 20 0 CEADMP Cc1cccc2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cn21 ZINC000342114306 216221882 /nfs/dbraw/zinc/22/18/82/216221882.db2.gz CPUFONAFULCDLT-IMJJTQAJSA-N 2 1 284.407 2.202 20 0 CEADMP Cc1cccc2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cn21 ZINC000342114304 216222334 /nfs/dbraw/zinc/22/23/34/216222334.db2.gz CPUFONAFULCDLT-BPUTZDHNSA-N 2 1 284.407 2.202 20 0 CEADMP Cc1cccc2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cn21 ZINC000342114304 216222337 /nfs/dbraw/zinc/22/23/37/216222337.db2.gz CPUFONAFULCDLT-BPUTZDHNSA-N 2 1 284.407 2.202 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](n2ccnc2)C1 ZINC000675496268 540848109 /nfs/dbraw/zinc/84/81/09/540848109.db2.gz RWBPUEIGGUUBQI-JKSUJKDBSA-N 2 1 276.428 2.394 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000675496268 540848113 /nfs/dbraw/zinc/84/81/13/540848113.db2.gz RWBPUEIGGUUBQI-JKSUJKDBSA-N 2 1 276.428 2.394 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000675496268 540848115 /nfs/dbraw/zinc/84/81/15/540848115.db2.gz RWBPUEIGGUUBQI-JKSUJKDBSA-N 2 1 276.428 2.394 20 0 CEADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ncc(C)o2)CC1 ZINC000342159669 216242625 /nfs/dbraw/zinc/24/26/25/216242625.db2.gz UMEZXYFGNYQCGI-UHFFFAOYSA-N 2 1 295.427 2.306 20 0 CEADMP C[N@@H+](CCCn1ccnc1)C[C@@H](O)c1c(F)cccc1F ZINC000181105939 189288393 /nfs/dbraw/zinc/28/83/93/189288393.db2.gz SZXAPFUGKOBOQT-CQSZACIVSA-N 2 1 295.333 2.217 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1C[NH+](C)C)[NH+]1CC(C)C1 ZINC000579975178 366733413 /nfs/dbraw/zinc/73/34/13/366733413.db2.gz KNQWQRWQBFMZRC-CYBMUJFWSA-N 2 1 275.396 2.027 20 0 CEADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237032464 370680472 /nfs/dbraw/zinc/68/04/72/370680472.db2.gz FZTVQTCYGUBJIG-HOTGVXAUSA-N 2 1 289.423 2.067 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237032464 370680475 /nfs/dbraw/zinc/68/04/75/370680475.db2.gz FZTVQTCYGUBJIG-HOTGVXAUSA-N 2 1 289.423 2.067 20 0 CEADMP C[N@@H+](CCNC(=O)c1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000237147127 370694288 /nfs/dbraw/zinc/69/42/88/370694288.db2.gz PSVOFYHPIDEXBI-UHFFFAOYSA-N 2 1 289.423 2.140 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000011888593 361367428 /nfs/dbraw/zinc/36/74/28/361367428.db2.gz JMADMGWXNVJOGW-LBPRGKRZSA-N 2 1 268.788 2.390 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000011888593 361367430 /nfs/dbraw/zinc/36/74/30/361367430.db2.gz JMADMGWXNVJOGW-LBPRGKRZSA-N 2 1 268.788 2.390 20 0 CEADMP CCOC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154741952 366788017 /nfs/dbraw/zinc/78/80/17/366788017.db2.gz ZIYLMPMXUPXVSJ-INIZCTEOSA-N 2 1 296.455 2.384 20 0 CEADMP CCOC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154741952 366788022 /nfs/dbraw/zinc/78/80/22/366788022.db2.gz ZIYLMPMXUPXVSJ-INIZCTEOSA-N 2 1 296.455 2.384 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)nn1C ZINC000571762868 299327340 /nfs/dbraw/zinc/32/73/40/299327340.db2.gz NQVVFIYYTXBJBL-GFCCVEGCSA-N 2 1 258.369 2.038 20 0 CEADMP COC(C)(C)[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000340233649 366811121 /nfs/dbraw/zinc/81/11/21/366811121.db2.gz ZMEDXRFFYHDVNC-RYUDHWBXSA-N 2 1 253.390 2.231 20 0 CEADMP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000678055720 541074239 /nfs/dbraw/zinc/07/42/39/541074239.db2.gz LDGRGTXJZYGWQO-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184232340 189380386 /nfs/dbraw/zinc/38/03/86/189380386.db2.gz OYECSLCQODDURL-CQSZACIVSA-N 2 1 283.460 2.132 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)nc2)[C@@H](C)C1 ZINC000678277907 541110557 /nfs/dbraw/zinc/11/05/57/541110557.db2.gz QRIGHFVRMSLVEL-GOEBONIOSA-N 2 1 290.455 2.310 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)nc2)[C@@H](C)C1 ZINC000678277907 541110560 /nfs/dbraw/zinc/11/05/60/541110560.db2.gz QRIGHFVRMSLVEL-GOEBONIOSA-N 2 1 290.455 2.310 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)nc2)[C@@H](C)C1 ZINC000678277907 541110564 /nfs/dbraw/zinc/11/05/64/541110564.db2.gz QRIGHFVRMSLVEL-GOEBONIOSA-N 2 1 290.455 2.310 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)nc2)[C@@H](C)C1 ZINC000678277907 541110568 /nfs/dbraw/zinc/11/05/68/541110568.db2.gz QRIGHFVRMSLVEL-GOEBONIOSA-N 2 1 290.455 2.310 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)s1 ZINC000678930943 541192865 /nfs/dbraw/zinc/19/28/65/541192865.db2.gz MZBVCQBEGHUMDT-JTQLQIEISA-N 2 1 251.399 2.364 20 0 CEADMP C[C@H](CCCCO)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000679331852 541257743 /nfs/dbraw/zinc/25/77/43/541257743.db2.gz BWTDITMOHQCVRO-KFWWJZLASA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H](CCCCO)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000679331852 541257746 /nfs/dbraw/zinc/25/77/46/541257746.db2.gz BWTDITMOHQCVRO-KFWWJZLASA-N 2 1 256.434 2.248 20 0 CEADMP Cc1nc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000084796658 363822700 /nfs/dbraw/zinc/82/27/00/363822700.db2.gz XCOBJRGHJYURFT-QWHCGFSZSA-N 2 1 265.426 2.476 20 0 CEADMP Cc1nc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000084796658 363822705 /nfs/dbraw/zinc/82/27/05/363822705.db2.gz XCOBJRGHJYURFT-QWHCGFSZSA-N 2 1 265.426 2.476 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CCCCO ZINC000679341484 541260734 /nfs/dbraw/zinc/26/07/34/541260734.db2.gz HSNHMXFOYHQBQR-LSDHHAIUSA-N 2 1 256.434 2.392 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CCCCO ZINC000679341484 541260736 /nfs/dbraw/zinc/26/07/36/541260736.db2.gz HSNHMXFOYHQBQR-LSDHHAIUSA-N 2 1 256.434 2.392 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)C1(C)C ZINC000085397713 363836237 /nfs/dbraw/zinc/83/62/37/363836237.db2.gz WIADNNWZMCANTQ-KBPBESRZSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000086727162 363838422 /nfs/dbraw/zinc/83/84/22/363838422.db2.gz BMVBGIJUIAATJE-GWCFXTLKSA-N 2 1 283.213 2.332 20 0 CEADMP Oc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000679392084 541270134 /nfs/dbraw/zinc/27/01/34/541270134.db2.gz FRFSCUUIMXIYPL-OAHLLOKOSA-N 2 1 260.381 2.310 20 0 CEADMP Oc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000679392084 541270139 /nfs/dbraw/zinc/27/01/39/541270139.db2.gz FRFSCUUIMXIYPL-OAHLLOKOSA-N 2 1 260.381 2.310 20 0 CEADMP C[N@@H+](CCCN[C@@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000089150182 363936543 /nfs/dbraw/zinc/93/65/43/363936543.db2.gz KHZJXEBYMHLYKW-GDBMZVCRSA-N 2 1 267.461 2.358 20 0 CEADMP C[N@H+](CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000089150182 363936548 /nfs/dbraw/zinc/93/65/48/363936548.db2.gz KHZJXEBYMHLYKW-GDBMZVCRSA-N 3 1 267.461 2.358 20 0 CEADMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000089150182 363936556 /nfs/dbraw/zinc/93/65/56/363936556.db2.gz KHZJXEBYMHLYKW-GDBMZVCRSA-N 3 1 267.461 2.358 20 0 CEADMP CSC1(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000090113565 364040563 /nfs/dbraw/zinc/04/05/63/364040563.db2.gz OLBOZYQFFNPIER-RDBSUJKOSA-N 2 1 286.485 2.217 20 0 CEADMP CCn1cncc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000090172605 364044937 /nfs/dbraw/zinc/04/49/37/364044937.db2.gz VXWRLYCICDDBCG-CQSZACIVSA-N 2 1 264.417 2.115 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccn1 ZINC000638710430 370701637 /nfs/dbraw/zinc/70/16/37/370701637.db2.gz VXYVSTBWPCSMNE-GZBFAFLISA-N 2 1 277.412 2.094 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccn1 ZINC000638710430 370701642 /nfs/dbraw/zinc/70/16/42/370701642.db2.gz VXYVSTBWPCSMNE-GZBFAFLISA-N 2 1 277.412 2.094 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccn1 ZINC000638710429 370701823 /nfs/dbraw/zinc/70/18/23/370701823.db2.gz VXYVSTBWPCSMNE-GUTXKFCHSA-N 2 1 277.412 2.094 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccn1 ZINC000638710429 370701825 /nfs/dbraw/zinc/70/18/25/370701825.db2.gz VXYVSTBWPCSMNE-GUTXKFCHSA-N 2 1 277.412 2.094 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093089414 364140151 /nfs/dbraw/zinc/14/01/51/364140151.db2.gz ORXKZUFOBDDAAH-UHFFFAOYSA-N 2 1 292.471 2.319 20 0 CEADMP C1CC1[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000093452308 364183051 /nfs/dbraw/zinc/18/30/51/364183051.db2.gz TYVKDPTZLZUONM-YESZJQIVSA-N 2 1 277.456 2.124 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000093489593 364191738 /nfs/dbraw/zinc/19/17/38/364191738.db2.gz FSMYBGPBTKKDCO-WCXIOVBPSA-N 3 1 279.472 2.229 20 0 CEADMP CC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000093489593 364191746 /nfs/dbraw/zinc/19/17/46/364191746.db2.gz FSMYBGPBTKKDCO-WCXIOVBPSA-N 2 1 279.472 2.229 20 0 CEADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000093489593 364191754 /nfs/dbraw/zinc/19/17/54/364191754.db2.gz FSMYBGPBTKKDCO-WCXIOVBPSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000094339007 364265989 /nfs/dbraw/zinc/26/59/89/364265989.db2.gz QAWSURHIDXDDMD-MFKMUULPSA-N 2 1 270.323 2.457 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093770250 364225290 /nfs/dbraw/zinc/22/52/90/364225290.db2.gz BAQSEJAIPRXMKO-MRXNPFEDSA-N 2 1 289.423 2.419 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093770250 364225291 /nfs/dbraw/zinc/22/52/91/364225291.db2.gz BAQSEJAIPRXMKO-MRXNPFEDSA-N 2 1 289.423 2.419 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093770250 364225292 /nfs/dbraw/zinc/22/52/92/364225292.db2.gz BAQSEJAIPRXMKO-MRXNPFEDSA-N 2 1 289.423 2.419 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093770250 364225294 /nfs/dbraw/zinc/22/52/94/364225294.db2.gz BAQSEJAIPRXMKO-MRXNPFEDSA-N 2 1 289.423 2.419 20 0 CEADMP CC(C)(C)c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)no1 ZINC000334994877 364325416 /nfs/dbraw/zinc/32/54/16/364325416.db2.gz AKPSNVALBXGITO-BETUJISGSA-N 2 1 277.412 2.404 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094722684 364290862 /nfs/dbraw/zinc/29/08/62/364290862.db2.gz XDBPMMJXNYEEEU-HUUCEWRRSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000094722684 364290867 /nfs/dbraw/zinc/29/08/67/364290867.db2.gz XDBPMMJXNYEEEU-HUUCEWRRSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)cn2c1 ZINC000335035317 364382796 /nfs/dbraw/zinc/38/27/96/364382796.db2.gz UVWPYGLGMFRYBK-ZFWWWQNUSA-N 2 1 272.396 2.120 20 0 CEADMP CCO[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000581925398 366835364 /nfs/dbraw/zinc/83/53/64/366835364.db2.gz ATEAMYLANJCREQ-RRFJBIMHSA-N 2 1 254.418 2.408 20 0 CEADMP CCCCC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000158992324 366866906 /nfs/dbraw/zinc/86/69/06/366866906.db2.gz ORMNIYLIRBGTAK-INIZCTEOSA-N 2 1 267.461 2.279 20 0 CEADMP CCCCC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000158992324 366866912 /nfs/dbraw/zinc/86/69/12/366866912.db2.gz ORMNIYLIRBGTAK-INIZCTEOSA-N 2 1 267.461 2.279 20 0 CEADMP CN(Cc1cncs1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335150198 364545093 /nfs/dbraw/zinc/54/50/93/364545093.db2.gz ZIHYDYWTCIRKRY-FOSCPWQOSA-N 2 1 251.399 2.200 20 0 CEADMP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[C@H]1O ZINC000582066333 366858105 /nfs/dbraw/zinc/85/81/05/366858105.db2.gz YGQXDLLXIKAPOH-HRCADAONSA-N 2 1 277.412 2.207 20 0 CEADMP Cc1ccc(O)c(CNCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000103341093 364642518 /nfs/dbraw/zinc/64/25/18/364642518.db2.gz IGVWORYIDUBEDM-AWEZNQCLSA-N 2 1 277.412 2.450 20 0 CEADMP Cc1ccc(O)c(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000103341093 364642522 /nfs/dbraw/zinc/64/25/22/364642522.db2.gz IGVWORYIDUBEDM-AWEZNQCLSA-N 2 1 277.412 2.450 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+]2CCN(C3CCCCC3)CC2)CC[NH2+]1 ZINC000335248621 364674075 /nfs/dbraw/zinc/67/40/75/364674075.db2.gz LNCUCHXZLXDYBF-CVEARBPZSA-N 2 1 279.472 2.325 20 0 CEADMP Cc1ccnc([C@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)c1 ZINC000335373569 364695156 /nfs/dbraw/zinc/69/51/56/364695156.db2.gz DLXLZYVGOVVDLE-NWDGAFQWSA-N 2 1 256.353 2.321 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCCOCC(F)(F)F ZINC000111380870 364733075 /nfs/dbraw/zinc/73/30/75/364733075.db2.gz YJYVGXQLKDNZJM-LLVKDONJSA-N 2 1 268.323 2.159 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000335497667 364792849 /nfs/dbraw/zinc/79/28/49/364792849.db2.gz WILQCQDXJMVHSY-PRHODGIISA-N 2 1 269.186 2.373 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000335631292 364817310 /nfs/dbraw/zinc/81/73/10/364817310.db2.gz AAFXPPZHMBZUTQ-CHWSQXEVSA-N 2 1 265.426 2.273 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000113514265 364903204 /nfs/dbraw/zinc/90/32/04/364903204.db2.gz XKFSDJUGOARXKK-CYBMUJFWSA-N 2 1 266.360 2.088 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000113514265 364903212 /nfs/dbraw/zinc/90/32/12/364903212.db2.gz XKFSDJUGOARXKK-CYBMUJFWSA-N 2 1 266.360 2.088 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114453663 364945956 /nfs/dbraw/zinc/94/59/56/364945956.db2.gz FCSIKQJOTAWQBL-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC1CC1 ZINC000114562300 364952863 /nfs/dbraw/zinc/95/28/63/364952863.db2.gz SJSFHJPHBSVPGR-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CCC1(O)CCC([NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000680542875 541425766 /nfs/dbraw/zinc/42/57/66/541425766.db2.gz JSDQYOPIPZGODW-UHFFFAOYSA-N 2 1 277.412 2.321 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C)n1 ZINC000335865805 365089932 /nfs/dbraw/zinc/08/99/32/365089932.db2.gz DECABWWPEUPBKL-CVEARBPZSA-N 2 1 259.397 2.449 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C)n1 ZINC000335865805 365089933 /nfs/dbraw/zinc/08/99/33/365089933.db2.gz DECABWWPEUPBKL-CVEARBPZSA-N 2 1 259.397 2.449 20 0 CEADMP C[N@@H+](CCCOCC(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000118841952 365182627 /nfs/dbraw/zinc/18/26/27/365182627.db2.gz ZYLOWVXLBDIIIX-LBPRGKRZSA-N 2 1 282.350 2.229 20 0 CEADMP C[NH+](CCCOCC(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000118841952 365182634 /nfs/dbraw/zinc/18/26/34/365182634.db2.gz ZYLOWVXLBDIIIX-LBPRGKRZSA-N 2 1 282.350 2.229 20 0 CEADMP C[NH+](CCCOCC(F)(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841952 365182642 /nfs/dbraw/zinc/18/26/42/365182642.db2.gz ZYLOWVXLBDIIIX-LBPRGKRZSA-N 2 1 282.350 2.229 20 0 CEADMP C[C@H](C(=O)NCCC1CC[NH+](C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245386777 370809949 /nfs/dbraw/zinc/80/99/49/370809949.db2.gz QPFXETHOTQNHCI-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP C(C1CC1)[NH+]1CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000119653440 365305713 /nfs/dbraw/zinc/30/57/13/365305713.db2.gz XMSHZQYTBJKXBT-UHFFFAOYSA-N 2 1 277.456 2.077 20 0 CEADMP OCCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000582186266 366876980 /nfs/dbraw/zinc/87/69/80/366876980.db2.gz UBDIXGQFJYAKEO-INIZCTEOSA-N 2 1 276.424 2.261 20 0 CEADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000340419655 366878142 /nfs/dbraw/zinc/87/81/42/366878142.db2.gz YPXYHVQRVIIQQZ-JJXSEGSLSA-N 2 1 295.471 2.001 20 0 CEADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000340419629 366879275 /nfs/dbraw/zinc/87/92/75/366879275.db2.gz YPXYHVQRVIIQQZ-CAOSSQGBSA-N 2 1 295.471 2.001 20 0 CEADMP CCCC(=O)NC[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000120430227 365422673 /nfs/dbraw/zinc/42/26/73/365422673.db2.gz KOSNQGQRDRJEQZ-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC(=O)NC[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000120430227 365422681 /nfs/dbraw/zinc/42/26/81/365422681.db2.gz KOSNQGQRDRJEQZ-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC(=O)NC[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000120430227 365422688 /nfs/dbraw/zinc/42/26/88/365422688.db2.gz KOSNQGQRDRJEQZ-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@H](Cn1cncn1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000340470996 366896773 /nfs/dbraw/zinc/89/67/73/366896773.db2.gz APERWKBUYUQJMI-JKSUJKDBSA-N 2 1 293.459 2.158 20 0 CEADMP CCC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000120906236 365493554 /nfs/dbraw/zinc/49/35/54/365493554.db2.gz GUVCLTCJSFFZQE-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000120906236 365493555 /nfs/dbraw/zinc/49/35/55/365493555.db2.gz GUVCLTCJSFFZQE-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000120906392 365493623 /nfs/dbraw/zinc/49/36/23/365493623.db2.gz GUVCLTCJSFFZQE-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000120906392 365493624 /nfs/dbraw/zinc/49/36/24/365493624.db2.gz GUVCLTCJSFFZQE-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000340501142 366909566 /nfs/dbraw/zinc/90/95/66/366909566.db2.gz HSWRQFNEPMUNGE-OAHLLOKOSA-N 2 1 271.364 2.335 20 0 CEADMP Fc1ccc2c(cc[nH+]c2NCC[C@H]2CCC[NH2+]2)c1 ZINC000582606059 366932920 /nfs/dbraw/zinc/93/29/20/366932920.db2.gz GZMHVNUVQVTRLA-CYBMUJFWSA-N 2 1 259.328 2.350 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000583381601 367040414 /nfs/dbraw/zinc/04/04/14/367040414.db2.gz RPNJTACRAJVSOC-NSHDSACASA-N 2 1 276.409 2.309 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000583381601 367040424 /nfs/dbraw/zinc/04/04/24/367040424.db2.gz RPNJTACRAJVSOC-NSHDSACASA-N 2 1 276.409 2.309 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000583444075 367049624 /nfs/dbraw/zinc/04/96/24/367049624.db2.gz MHNAOMWNSBHOQT-BRWVUGGUSA-N 2 1 280.456 2.488 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000584047312 367133719 /nfs/dbraw/zinc/13/37/19/367133719.db2.gz JRYMNRKMNVDJSJ-HZPDHXFCSA-N 2 1 287.407 2.173 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2)c2ccccc21 ZINC000584345177 367147566 /nfs/dbraw/zinc/14/75/66/367147566.db2.gz NOUNCUKLHOTWPM-FSPWUOQZSA-N 2 1 298.386 2.161 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)Cc1ccccc1 ZINC000245444766 370821511 /nfs/dbraw/zinc/82/15/11/370821511.db2.gz JWBUOJADTOSNLW-MSOLQXFVSA-N 2 1 290.451 2.396 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)Cc1ccccc1 ZINC000245444766 370821514 /nfs/dbraw/zinc/82/15/14/370821514.db2.gz JWBUOJADTOSNLW-MSOLQXFVSA-N 2 1 290.451 2.396 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)Cc1ccccc1 ZINC000245444766 370821517 /nfs/dbraw/zinc/82/15/17/370821517.db2.gz JWBUOJADTOSNLW-MSOLQXFVSA-N 2 1 290.451 2.396 20 0 CEADMP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000162329424 367152896 /nfs/dbraw/zinc/15/28/96/367152896.db2.gz OQWCVIRQWJUXEZ-INIZCTEOSA-N 2 1 297.487 2.343 20 0 CEADMP Cn1cncc1CCC[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000584478619 367163465 /nfs/dbraw/zinc/16/34/65/367163465.db2.gz XKFQTPLHLUGUBW-SJORKVTESA-N 2 1 285.391 2.161 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000162744950 367185348 /nfs/dbraw/zinc/18/53/48/367185348.db2.gz KFJFNZIQXLESFR-WMZOPIPTSA-N 2 1 289.467 2.438 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1NCCC[N@H+](C)Cc1ccccc1 ZINC000162744950 367185352 /nfs/dbraw/zinc/18/53/52/367185352.db2.gz KFJFNZIQXLESFR-WMZOPIPTSA-N 2 1 289.467 2.438 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000162744950 367185357 /nfs/dbraw/zinc/18/53/57/367185357.db2.gz KFJFNZIQXLESFR-WMZOPIPTSA-N 2 1 289.467 2.438 20 0 CEADMP C[C@@H](CC1CCCCC1)C[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000357958250 370852809 /nfs/dbraw/zinc/85/28/09/370852809.db2.gz JNEVTLNROYSHGN-DZGCQCFKSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@H](CC1CCCCC1)C[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000357958250 370852814 /nfs/dbraw/zinc/85/28/14/370852814.db2.gz JNEVTLNROYSHGN-DZGCQCFKSA-N 2 1 254.418 2.252 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000245704486 370859955 /nfs/dbraw/zinc/85/99/55/370859955.db2.gz YGRWHSKEJVPGOG-DOTOQJQBSA-N 2 1 296.455 2.131 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245574173 370843028 /nfs/dbraw/zinc/84/30/28/370843028.db2.gz AMDNQAIRENDIDO-HOTGVXAUSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245574173 370843031 /nfs/dbraw/zinc/84/30/31/370843031.db2.gz AMDNQAIRENDIDO-HOTGVXAUSA-N 2 1 277.412 2.473 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000163196357 367224558 /nfs/dbraw/zinc/22/45/58/367224558.db2.gz IFHCFYHBIIEWPE-CMPLNLGQSA-N 2 1 270.323 2.457 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000163249688 367227077 /nfs/dbraw/zinc/22/70/77/367227077.db2.gz JVKZNTXXXNQFBF-NWDGAFQWSA-N 2 1 268.788 2.388 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000163249688 367227079 /nfs/dbraw/zinc/22/70/79/367227079.db2.gz JVKZNTXXXNQFBF-NWDGAFQWSA-N 2 1 268.788 2.388 20 0 CEADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)[C@H]1CCOC1 ZINC000164680357 367293510 /nfs/dbraw/zinc/29/35/10/367293510.db2.gz YUYVAVZNJAMDLL-GJZGRUSLSA-N 2 1 265.401 2.376 20 0 CEADMP C[NH+](C)CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000170755315 367406563 /nfs/dbraw/zinc/40/65/63/367406563.db2.gz XHKMMCDGULNBIK-UHFFFAOYSA-N 2 1 275.396 2.173 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc2c1CCOC2 ZINC000631827618 367565380 /nfs/dbraw/zinc/56/53/80/367565380.db2.gz RPHPJWLCMOWDFX-OAHLLOKOSA-N 2 1 262.397 2.222 20 0 CEADMP C[C@H]1C[N@H+](CCc2cccc3c2OC(F)(F)O3)CC[C@H]1[NH3+] ZINC000631821544 367559358 /nfs/dbraw/zinc/55/93/58/367559358.db2.gz AYHBAVHICZZGDP-CMPLNLGQSA-N 2 1 298.333 2.220 20 0 CEADMP C[C@H]1C[N@@H+](CCc2cccc3c2OC(F)(F)O3)CC[C@H]1[NH3+] ZINC000631821544 367559363 /nfs/dbraw/zinc/55/93/63/367559363.db2.gz AYHBAVHICZZGDP-CMPLNLGQSA-N 2 1 298.333 2.220 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCc1cccc2c1OC(F)(F)O2 ZINC000631822527 367561137 /nfs/dbraw/zinc/56/11/37/367561137.db2.gz HGKVGXIPJDNAPU-GHMZBOCLSA-N 2 1 298.333 2.220 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCCCO2)CC[C@H]1C(F)(F)F ZINC000631830518 367569277 /nfs/dbraw/zinc/56/92/77/367569277.db2.gz UQAIDGLLKZIFDF-IJLUTSLNSA-N 2 1 280.334 2.015 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)CC[C@H]1C(F)(F)F ZINC000631830518 367569281 /nfs/dbraw/zinc/56/92/81/367569281.db2.gz UQAIDGLLKZIFDF-IJLUTSLNSA-N 2 1 280.334 2.015 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc2c1CCOC2 ZINC000631829207 367567651 /nfs/dbraw/zinc/56/76/51/367567651.db2.gz KDXAYCGKEQTVLN-SWLSCSKDSA-N 2 1 260.381 2.071 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(C3CCC3)no1)CC[NH2+]CC2 ZINC000631829091 367567791 /nfs/dbraw/zinc/56/77/91/367567791.db2.gz GRNYYKWLLZMGNM-GFCCVEGCSA-N 2 1 290.411 2.301 20 0 CEADMP C[C@H]1C[N@@H+](CCCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000631837038 367577651 /nfs/dbraw/zinc/57/76/51/367577651.db2.gz LXZDQDYZVCQWOH-NWDGAFQWSA-N 2 1 268.351 2.424 20 0 CEADMP Cc1ncccc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335542394 212242049 /nfs/dbraw/zinc/24/20/49/212242049.db2.gz CSAHPTHWBKTISE-CYBMUJFWSA-N 2 1 259.397 2.354 20 0 CEADMP Fc1cccc(O[C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000631879171 367605243 /nfs/dbraw/zinc/60/52/43/367605243.db2.gz MSYDBVJFOUOYRE-BBRMVZONSA-N 2 1 278.371 2.278 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000342993842 367624362 /nfs/dbraw/zinc/62/43/62/367624362.db2.gz XTOUHSTYDSVNEK-CZUORRHYSA-N 2 1 289.423 2.193 20 0 CEADMP COCc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631889240 367610871 /nfs/dbraw/zinc/61/08/71/367610871.db2.gz DSEZVCYCJPUAJH-IRXDYDNUSA-N 2 1 274.408 2.407 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)cc2)cn1 ZINC000631889960 367610900 /nfs/dbraw/zinc/61/09/00/367610900.db2.gz NNIDZVHSMBKMLY-SJLPKXTDSA-N 2 1 296.418 2.446 20 0 CEADMP COc1ccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631888208 367611279 /nfs/dbraw/zinc/61/12/79/367611279.db2.gz XHGSURLSNIZEOD-WMLDXEAASA-N 2 1 290.407 2.148 20 0 CEADMP CC(C)[C@@H](CN[C@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000343271425 367735618 /nfs/dbraw/zinc/73/56/18/367735618.db2.gz QTQWXOLRKXYQDJ-IXDOHACOSA-N 2 1 281.488 2.283 20 0 CEADMP CC(C)[C@@H](CN[C@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000343271425 367735622 /nfs/dbraw/zinc/73/56/22/367735622.db2.gz QTQWXOLRKXYQDJ-IXDOHACOSA-N 2 1 281.488 2.283 20 0 CEADMP CCC[C@H](C)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245870427 370882260 /nfs/dbraw/zinc/88/22/60/370882260.db2.gz RMFGXQIKSIYMMH-JKSUJKDBSA-N 2 1 267.461 2.134 20 0 CEADMP CCCC[C@H](C)[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000343504941 367849824 /nfs/dbraw/zinc/84/98/24/367849824.db2.gz CXFODYZONZOXCI-XHSDSOJGSA-N 2 1 297.487 2.378 20 0 CEADMP COC[C@@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000173897909 367955457 /nfs/dbraw/zinc/95/54/57/367955457.db2.gz KOKVVMSDBOQOQY-CQSZACIVSA-N 2 1 262.397 2.059 20 0 CEADMP COC[C@@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000173897909 367955465 /nfs/dbraw/zinc/95/54/65/367955465.db2.gz KOKVVMSDBOQOQY-CQSZACIVSA-N 2 1 262.397 2.059 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000344262722 368116821 /nfs/dbraw/zinc/11/68/21/368116821.db2.gz POANBDWFRCFKOD-GOEBONIOSA-N 2 1 288.439 2.112 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000344262722 368116829 /nfs/dbraw/zinc/11/68/29/368116829.db2.gz POANBDWFRCFKOD-GOEBONIOSA-N 2 1 288.439 2.112 20 0 CEADMP C[C@H]([NH2+]Cc1cc[nH]n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177954340 368284762 /nfs/dbraw/zinc/28/47/62/368284762.db2.gz BCPMPCHKZVDFAF-ZDUSSCGKSA-N 2 1 288.395 2.201 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)cn2)CC[N@@H+]1C ZINC000181324303 368443515 /nfs/dbraw/zinc/44/35/15/368443515.db2.gz SADZCUDFNKQPEU-AAEUAGOBSA-N 2 1 283.803 2.186 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)cn2)CC[N@H+]1C ZINC000181324303 368443525 /nfs/dbraw/zinc/44/35/25/368443525.db2.gz SADZCUDFNKQPEU-AAEUAGOBSA-N 2 1 283.803 2.186 20 0 CEADMP C[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](C)[C@@H]3C)COC2)[C@@H]1C ZINC000182213666 368535403 /nfs/dbraw/zinc/53/54/03/368535403.db2.gz BTZXGWIHWKFMPU-GEEKYZPCSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](C)[C@@H]3C)COC2)[C@@H]1C ZINC000182213666 368535409 /nfs/dbraw/zinc/53/54/09/368535409.db2.gz BTZXGWIHWKFMPU-GEEKYZPCSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](C)[C@@H]3C)COC2)[C@@H]1C ZINC000182213666 368535411 /nfs/dbraw/zinc/53/54/11/368535411.db2.gz BTZXGWIHWKFMPU-GEEKYZPCSA-N 2 1 280.456 2.464 20 0 CEADMP CC[N@H+]1C[C@H](C)N(CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000346166345 368571000 /nfs/dbraw/zinc/57/10/00/368571000.db2.gz OBHOGQBRSUVXML-HOTGVXAUSA-N 2 1 267.461 2.133 20 0 CEADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000182646661 368574677 /nfs/dbraw/zinc/57/46/77/368574677.db2.gz NYKSSNPMAQPDNE-QWHCGFSZSA-N 2 1 270.417 2.038 20 0 CEADMP CCOC[C@@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000182782584 368590038 /nfs/dbraw/zinc/59/00/38/368590038.db2.gz DBOSXGZELWUJEQ-CQSZACIVSA-N 2 1 251.374 2.022 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212217 368594479 /nfs/dbraw/zinc/59/44/79/368594479.db2.gz PZIITIPDBPALAW-KBPBESRZSA-N 2 1 290.411 2.221 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212217 368594481 /nfs/dbraw/zinc/59/44/81/368594481.db2.gz PZIITIPDBPALAW-KBPBESRZSA-N 2 1 290.411 2.221 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212217 368594482 /nfs/dbraw/zinc/59/44/82/368594482.db2.gz PZIITIPDBPALAW-KBPBESRZSA-N 2 1 290.411 2.221 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212217 368594484 /nfs/dbraw/zinc/59/44/84/368594484.db2.gz PZIITIPDBPALAW-KBPBESRZSA-N 2 1 290.411 2.221 20 0 CEADMP COC1CCC([NH2+]C[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000183134059 368611792 /nfs/dbraw/zinc/61/17/92/368611792.db2.gz NIEOEGXSPTWFIT-GRTSSRMGSA-N 2 1 265.401 2.375 20 0 CEADMP COCC[N@H+]1CC[C@H](Nc2cnc3c(c2)CCCC3)C1 ZINC000346292691 368624211 /nfs/dbraw/zinc/62/42/11/368624211.db2.gz IKZHRKBITDRGOU-AWEZNQCLSA-N 2 1 275.396 2.093 20 0 CEADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000183483070 368629713 /nfs/dbraw/zinc/62/97/13/368629713.db2.gz XKBMWDJGNZYJPX-IUODEOHRSA-N 2 1 278.444 2.042 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000346676813 368765951 /nfs/dbraw/zinc/76/59/51/368765951.db2.gz KPNOKUWPUIALMI-NWDGAFQWSA-N 2 1 276.409 2.103 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](C)CC1CCOCC1 ZINC000346685283 368769004 /nfs/dbraw/zinc/76/90/04/368769004.db2.gz QPZWRGTVCHZAKA-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](C)CC1CCOCC1 ZINC000346685283 368769008 /nfs/dbraw/zinc/76/90/08/368769008.db2.gz QPZWRGTVCHZAKA-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc2c[nH]nc21 ZINC000346692387 368774509 /nfs/dbraw/zinc/77/45/09/368774509.db2.gz YPRDIVCVYRZRDP-CQSZACIVSA-N 2 1 260.385 2.368 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000346692351 368774681 /nfs/dbraw/zinc/77/46/81/368774681.db2.gz YIFFYFSNCULNFE-VXGBXAGGSA-N 2 1 282.457 2.158 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000346692351 368774683 /nfs/dbraw/zinc/77/46/83/368774683.db2.gz YIFFYFSNCULNFE-VXGBXAGGSA-N 2 1 282.457 2.158 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000346642121 368746803 /nfs/dbraw/zinc/74/68/03/368746803.db2.gz BTDUOFPOUGPJFO-NWDGAFQWSA-N 2 1 290.436 2.318 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634678861 368809362 /nfs/dbraw/zinc/80/93/62/368809362.db2.gz FJLKXQFOAKUHPL-TZMCWYRMSA-N 2 1 265.401 2.375 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634685156 368813554 /nfs/dbraw/zinc/81/35/54/368813554.db2.gz IDUIZRDDYZBTCT-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)O1 ZINC000634688380 368816693 /nfs/dbraw/zinc/81/66/93/368816693.db2.gz QNFNGQLKCHHVQG-WRWGMCAJSA-N 2 1 280.334 2.013 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)O1 ZINC000634688380 368816695 /nfs/dbraw/zinc/81/66/95/368816695.db2.gz QNFNGQLKCHHVQG-WRWGMCAJSA-N 2 1 280.334 2.013 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)O1 ZINC000634688602 368816891 /nfs/dbraw/zinc/81/68/91/368816891.db2.gz XLXCYGHOIQAXCP-FVQBIDKESA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])O1 ZINC000634688354 368816973 /nfs/dbraw/zinc/81/69/73/368816973.db2.gz PTFMQGJHHLDJHK-APIJFGDWSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000346694240 368777920 /nfs/dbraw/zinc/77/79/20/368777920.db2.gz SWTTZMKLUPQCIH-QWHCGFSZSA-N 2 1 270.380 2.246 20 0 CEADMP CCCCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634637625 368789936 /nfs/dbraw/zinc/78/99/36/368789936.db2.gz YIJZTDOQTDASNH-KRWDZBQOSA-N 2 1 276.424 2.403 20 0 CEADMP CCCCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634637625 368789940 /nfs/dbraw/zinc/78/99/40/368789940.db2.gz YIJZTDOQTDASNH-KRWDZBQOSA-N 2 1 276.424 2.403 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000346829938 368790164 /nfs/dbraw/zinc/79/01/64/368790164.db2.gz OQFJOXSGLFLIHT-FUHWJXTLSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634637539 368790260 /nfs/dbraw/zinc/79/02/60/368790260.db2.gz WWKUTUXZRQMFCH-SJLPKXTDSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634637539 368790265 /nfs/dbraw/zinc/79/02/65/368790265.db2.gz WWKUTUXZRQMFCH-SJLPKXTDSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634637539 368790269 /nfs/dbraw/zinc/79/02/69/368790269.db2.gz WWKUTUXZRQMFCH-SJLPKXTDSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634637539 368790274 /nfs/dbraw/zinc/79/02/74/368790274.db2.gz WWKUTUXZRQMFCH-SJLPKXTDSA-N 2 1 288.435 2.355 20 0 CEADMP CN(CC[N@@H+](C)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000346859515 368792113 /nfs/dbraw/zinc/79/21/13/368792113.db2.gz SKEDKUIIZHTHQB-HNNXBMFYSA-N 2 1 261.413 2.054 20 0 CEADMP Cc1ccncc1CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000348055246 368877136 /nfs/dbraw/zinc/87/71/36/368877136.db2.gz ZAICFXBUVAJDGC-ZBFHGGJFSA-N 2 1 261.413 2.395 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000635010696 369047378 /nfs/dbraw/zinc/04/73/78/369047378.db2.gz UXKAVJGQYDCOQD-GXFFZTMASA-N 2 1 254.324 2.443 20 0 CEADMP C[C@@H]1CCN(CC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000634993494 369022024 /nfs/dbraw/zinc/02/20/24/369022024.db2.gz WGCYFTUIIRBERE-IPJUCJBFSA-N 2 1 299.462 2.335 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)C[C@H]1C[NH3+] ZINC000634998182 369030053 /nfs/dbraw/zinc/03/00/53/369030053.db2.gz BZPPMWQSQGZIJI-GHMZBOCLSA-N 2 1 276.409 2.165 20 0 CEADMP C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000635002848 369039119 /nfs/dbraw/zinc/03/91/19/369039119.db2.gz AGKYAZXEEIJUAB-LKFCYVNXSA-N 2 1 286.778 2.100 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)nn1C ZINC000635003562 369039833 /nfs/dbraw/zinc/03/98/33/369039833.db2.gz AKJZTAQKQIFNNJ-GOEBONIOSA-N 2 1 286.423 2.339 20 0 CEADMP CC[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccn(C)n1 ZINC000635004065 369040341 /nfs/dbraw/zinc/04/03/41/369040341.db2.gz CYQBOCVDFDGTNY-HOTGVXAUSA-N 2 1 286.423 2.421 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cc2n(n1)CCC2 ZINC000635006161 369042933 /nfs/dbraw/zinc/04/29/33/369042933.db2.gz XSAIKWVVWDXCAN-CYBMUJFWSA-N 2 1 296.418 2.326 20 0 CEADMP N[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)c2ccccc21 ZINC000635005860 369043139 /nfs/dbraw/zinc/04/31/39/369043139.db2.gz PSGFQLOJXPHJKR-CZPYZCIJSA-N 2 1 259.397 2.238 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635008664 369045796 /nfs/dbraw/zinc/04/57/96/369045796.db2.gz GHQAZSWHICNESQ-IAGOWNOFSA-N 3 1 273.424 2.082 20 0 CEADMP CC[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000348300685 368990298 /nfs/dbraw/zinc/99/02/98/368990298.db2.gz KEFJXSIRMGLGTR-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1CC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000348300685 368990301 /nfs/dbraw/zinc/99/03/01/368990301.db2.gz KEFJXSIRMGLGTR-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnn1C ZINC000348306017 368993747 /nfs/dbraw/zinc/99/37/47/368993747.db2.gz WDULQCITOIVLLO-ZBFHGGJFSA-N 2 1 278.444 2.410 20 0 CEADMP CCOCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348303885 368993814 /nfs/dbraw/zinc/99/38/14/368993814.db2.gz FZDBMFFQIWYUTE-HDICACEKSA-N 2 1 288.435 2.477 20 0 CEADMP CCOCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348303885 368993822 /nfs/dbraw/zinc/99/38/22/368993822.db2.gz FZDBMFFQIWYUTE-HDICACEKSA-N 2 1 288.435 2.477 20 0 CEADMP CCOCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348303885 368993827 /nfs/dbraw/zinc/99/38/27/368993827.db2.gz FZDBMFFQIWYUTE-HDICACEKSA-N 2 1 288.435 2.477 20 0 CEADMP C[NH+]1CCC([NH2+]CC[C@@H]2CNc3ccccc32)CC1 ZINC000635020851 369058007 /nfs/dbraw/zinc/05/80/07/369058007.db2.gz MSUFXTJALZGLGL-CYBMUJFWSA-N 2 1 259.397 2.270 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCSCC1 ZINC000187187625 369118782 /nfs/dbraw/zinc/11/87/82/369118782.db2.gz SNVNVVNMZOKZDE-CHWSQXEVSA-N 2 1 256.459 2.450 20 0 CEADMP Cc1ncc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000348717862 369131612 /nfs/dbraw/zinc/13/16/12/369131612.db2.gz KRPAHHQRZPCDAS-UHFFFAOYSA-N 2 1 262.401 2.184 20 0 CEADMP Cc1cccc(C(C)(C)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000572751485 299396724 /nfs/dbraw/zinc/39/67/24/299396724.db2.gz JHYSYUYJCGXUQQ-KRWDZBQOSA-N 2 1 290.451 2.317 20 0 CEADMP Cc1cccc(C(C)(C)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000572751485 299396727 /nfs/dbraw/zinc/39/67/27/299396727.db2.gz JHYSYUYJCGXUQQ-KRWDZBQOSA-N 2 1 290.451 2.317 20 0 CEADMP C[C@@](C[NH3+])([NH2+]CCCc1cccc(F)c1)C1CC1 ZINC000348752671 369142802 /nfs/dbraw/zinc/14/28/02/369142802.db2.gz VSLVMNXMCYYLQK-HNNXBMFYSA-N 2 1 250.361 2.475 20 0 CEADMP C[N@@H+](C[C@H]1CCSC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348871375 369186646 /nfs/dbraw/zinc/18/66/46/369186646.db2.gz WYZUCYLYBZBGSD-HABKJSAYSA-N 2 1 254.443 2.297 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000349029765 369224488 /nfs/dbraw/zinc/22/44/88/369224488.db2.gz KCPPMTWFFPTWJX-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000349029765 369224490 /nfs/dbraw/zinc/22/44/90/369224490.db2.gz KCPPMTWFFPTWJX-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](NC(=O)[C@@H]1CC[N@H+]1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000635605186 369242027 /nfs/dbraw/zinc/24/20/27/369242027.db2.gz KGAOBBKINLVVSI-ZFWWWQNUSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCCC[C@H]1C ZINC000349091712 369242236 /nfs/dbraw/zinc/24/22/36/369242236.db2.gz ZJIGZMUMZDLZFJ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000349091712 369242241 /nfs/dbraw/zinc/24/22/41/369242241.db2.gz ZJIGZMUMZDLZFJ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000349091712 369242249 /nfs/dbraw/zinc/24/22/49/369242249.db2.gz ZJIGZMUMZDLZFJ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000349122584 369245985 /nfs/dbraw/zinc/24/59/85/369245985.db2.gz ZFGMEAUWPFTEGW-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000349122584 369245988 /nfs/dbraw/zinc/24/59/88/369245988.db2.gz ZFGMEAUWPFTEGW-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000349122584 369245995 /nfs/dbraw/zinc/24/59/95/369245995.db2.gz ZFGMEAUWPFTEGW-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+](CC(=O)NC[C@@H]1CCCC[NH+]1C1CC1)CC(C)(C)C ZINC000635858045 369380205 /nfs/dbraw/zinc/38/02/05/369380205.db2.gz BLVKQXGEPAWMCQ-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)CC(C)(C)C ZINC000635858045 369380208 /nfs/dbraw/zinc/38/02/08/369380208.db2.gz BLVKQXGEPAWMCQ-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)CC(C)(C)C ZINC000635858045 369380211 /nfs/dbraw/zinc/38/02/11/369380211.db2.gz BLVKQXGEPAWMCQ-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)(C)[NH2+]CC[NH2+]CCn1cnc2ccccc21 ZINC000228727782 189795149 /nfs/dbraw/zinc/79/51/49/189795149.db2.gz IOBHUDDGUZARKI-UHFFFAOYSA-N 2 1 260.385 2.014 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000358229272 370962066 /nfs/dbraw/zinc/96/20/66/370962066.db2.gz GGZIWBPDTSHVJB-ABHNRTSZSA-N 2 1 288.435 2.369 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC000358229272 370962071 /nfs/dbraw/zinc/96/20/71/370962071.db2.gz GGZIWBPDTSHVJB-ABHNRTSZSA-N 2 1 288.435 2.369 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc(Cl)cn1 ZINC000358272126 370985474 /nfs/dbraw/zinc/98/54/74/370985474.db2.gz ZNVGZVNDIVHYFW-WCQYABFASA-N 2 1 283.803 2.044 20 0 CEADMP O[C@@H](CC1CCCC1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000190595166 369638866 /nfs/dbraw/zinc/63/88/66/369638866.db2.gz AUWREVJNCFMMON-SJORKVTESA-N 2 1 280.456 2.345 20 0 CEADMP C[C@H]1C[C@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CCO1 ZINC000352692348 369839039 /nfs/dbraw/zinc/83/90/39/369839039.db2.gz FOAMCOKTZKFGEL-GOEBONIOSA-N 2 1 291.439 2.490 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(C(F)F)CC2)s1 ZINC000352714002 369850621 /nfs/dbraw/zinc/85/06/21/369850621.db2.gz VOIHCJDUNXQOHX-UHFFFAOYSA-N 2 1 275.368 2.340 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000352745379 369864955 /nfs/dbraw/zinc/86/49/55/369864955.db2.gz JEFIDPBPCHHNGT-IWSXDTNSSA-N 2 1 293.499 2.425 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000352745379 369864960 /nfs/dbraw/zinc/86/49/60/369864960.db2.gz JEFIDPBPCHHNGT-IWSXDTNSSA-N 2 1 293.499 2.425 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352745379 369864965 /nfs/dbraw/zinc/86/49/65/369864965.db2.gz JEFIDPBPCHHNGT-IWSXDTNSSA-N 2 1 293.499 2.425 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352745379 369864971 /nfs/dbraw/zinc/86/49/71/369864971.db2.gz JEFIDPBPCHHNGT-IWSXDTNSSA-N 2 1 293.499 2.425 20 0 CEADMP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCOCC1 ZINC000352760347 369871219 /nfs/dbraw/zinc/87/12/19/369871219.db2.gz OTRRNBWGOCSJAW-AWEZNQCLSA-N 2 1 297.468 2.500 20 0 CEADMP CC[N@@H+]1CCC[C@@H](CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352760378 369871340 /nfs/dbraw/zinc/87/13/40/369871340.db2.gz PCMJIWSOCOPQKO-ZDUSSCGKSA-N 2 1 296.484 2.026 20 0 CEADMP CC[N@H+]1CCC[C@@H](CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352760378 369871344 /nfs/dbraw/zinc/87/13/44/369871344.db2.gz PCMJIWSOCOPQKO-ZDUSSCGKSA-N 2 1 296.484 2.026 20 0 CEADMP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CCOCC1 ZINC000352759607 369871380 /nfs/dbraw/zinc/87/13/80/369871380.db2.gz KQYBLOBXBUBAAQ-NSHDSACASA-N 2 1 283.441 2.109 20 0 CEADMP CSc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000193605747 369961250 /nfs/dbraw/zinc/96/12/50/369961250.db2.gz GCPBHNBQYOQLBX-OKILXGFUSA-N 2 1 262.422 2.402 20 0 CEADMP CSc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193605747 369961255 /nfs/dbraw/zinc/96/12/55/369961255.db2.gz GCPBHNBQYOQLBX-OKILXGFUSA-N 2 1 262.422 2.402 20 0 CEADMP CSc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193605747 369961259 /nfs/dbraw/zinc/96/12/59/369961259.db2.gz GCPBHNBQYOQLBX-OKILXGFUSA-N 2 1 262.422 2.402 20 0 CEADMP CSc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193605747 369961264 /nfs/dbraw/zinc/96/12/64/369961264.db2.gz GCPBHNBQYOQLBX-OKILXGFUSA-N 2 1 262.422 2.402 20 0 CEADMP CSc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193605747 369961269 /nfs/dbraw/zinc/96/12/69/369961269.db2.gz GCPBHNBQYOQLBX-OKILXGFUSA-N 2 1 262.422 2.402 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]2C)CC1 ZINC000637378599 369921697 /nfs/dbraw/zinc/92/16/97/369921697.db2.gz NZCYWQIBSKBELJ-KFWWJZLASA-N 2 1 295.471 2.046 20 0 CEADMP OCCCC[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000194212045 370015487 /nfs/dbraw/zinc/01/54/87/370015487.db2.gz CEVDKSRVUIVCOU-KURKYZTESA-N 2 1 288.435 2.259 20 0 CEADMP Cc1cccc2ncc(CN[C@@H](C)C[N@@H+](C)C(C)C)n21 ZINC000353132341 370032776 /nfs/dbraw/zinc/03/27/76/370032776.db2.gz VPHHSAXOVOREAA-ZDUSSCGKSA-N 2 1 274.412 2.461 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@@H](C)CN(C)C(C)C)n21 ZINC000353132341 370032781 /nfs/dbraw/zinc/03/27/81/370032781.db2.gz VPHHSAXOVOREAA-ZDUSSCGKSA-N 2 1 274.412 2.461 20 0 CEADMP C[C@@H]1CSC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000353014794 369982500 /nfs/dbraw/zinc/98/25/00/369982500.db2.gz FBGHWFQWOKXZAA-KOLCDFICSA-N 2 1 271.455 2.046 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](COC(F)F)C1 ZINC000353027250 369990056 /nfs/dbraw/zinc/99/00/56/369990056.db2.gz MXLGPRHZVPFLOY-STQMWFEESA-N 2 1 276.371 2.422 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353027250 369990057 /nfs/dbraw/zinc/99/00/57/369990057.db2.gz MXLGPRHZVPFLOY-STQMWFEESA-N 2 1 276.371 2.422 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353027250 369990059 /nfs/dbraw/zinc/99/00/59/369990059.db2.gz MXLGPRHZVPFLOY-STQMWFEESA-N 2 1 276.371 2.422 20 0 CEADMP Cc1ccnc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000353516761 370114505 /nfs/dbraw/zinc/11/45/05/370114505.db2.gz JUEQESBCFIJWBS-JKSUJKDBSA-N 2 1 291.439 2.278 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000353926879 370139822 /nfs/dbraw/zinc/13/98/22/370139822.db2.gz HGOPSYPPRGFAOY-KGLIPLIRSA-N 2 1 284.444 2.286 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000353926879 370139827 /nfs/dbraw/zinc/13/98/27/370139827.db2.gz HGOPSYPPRGFAOY-KGLIPLIRSA-N 2 1 284.444 2.286 20 0 CEADMP CC[C@H](C[NH2+]CCC(C)(C)C(=O)OC)[NH+]1CCCC1 ZINC000353931715 370142037 /nfs/dbraw/zinc/14/20/37/370142037.db2.gz JVDDATMPEXVUMV-CYBMUJFWSA-N 2 1 270.417 2.040 20 0 CEADMP COc1cncc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1C ZINC000638028929 370254204 /nfs/dbraw/zinc/25/42/04/370254204.db2.gz KSAIPFNDYPJIJO-UHFFFAOYSA-N 2 1 277.412 2.172 20 0 CEADMP C(C[C@H]1CCO1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000638122175 370318104 /nfs/dbraw/zinc/31/81/04/370318104.db2.gz LTIVRXWFKUQQQR-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP CC(C)CC[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000638066778 370276328 /nfs/dbraw/zinc/27/63/28/370276328.db2.gz LUBUFXYPAYRKLQ-JKSUJKDBSA-N 2 1 297.487 2.378 20 0 CEADMP CO[C@](C)(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CC1 ZINC000638177434 370358941 /nfs/dbraw/zinc/35/89/41/370358941.db2.gz KWAQLEAKSLVYAP-CWRNSKLLSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@](C)(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000638177434 370358943 /nfs/dbraw/zinc/35/89/43/370358943.db2.gz KWAQLEAKSLVYAP-CWRNSKLLSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@](C)(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1CC1 ZINC000638177434 370358944 /nfs/dbraw/zinc/35/89/44/370358944.db2.gz KWAQLEAKSLVYAP-CWRNSKLLSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000354431319 370359200 /nfs/dbraw/zinc/35/92/00/370359200.db2.gz YGKLMFNXCFOKDG-YJBOKZPZSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000354431319 370359206 /nfs/dbraw/zinc/35/92/06/370359206.db2.gz YGKLMFNXCFOKDG-YJBOKZPZSA-N 2 1 288.435 2.402 20 0 CEADMP CC[NH2+][C@@H](C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000638130707 370325638 /nfs/dbraw/zinc/32/56/38/370325638.db2.gz HUGDNFZECPCQED-CABCVRRESA-N 2 1 291.439 2.011 20 0 CEADMP CC(C)(C[NH2+]C1CC(n2cccn2)C1)[NH+]1CCCCC1 ZINC000638290522 370425651 /nfs/dbraw/zinc/42/56/51/370425651.db2.gz GJHCMAMHIAWTGF-UHFFFAOYSA-N 2 1 276.428 2.441 20 0 CEADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000354659817 370457347 /nfs/dbraw/zinc/45/73/47/370457347.db2.gz VJOLIWMJXIVCSS-HEHGZKQESA-N 2 1 296.842 2.488 20 0 CEADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000354659817 370457348 /nfs/dbraw/zinc/45/73/48/370457348.db2.gz VJOLIWMJXIVCSS-HEHGZKQESA-N 2 1 296.842 2.488 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000638359779 370469270 /nfs/dbraw/zinc/46/92/70/370469270.db2.gz NCZHGQZWFRIYIF-FGTMMUONSA-N 2 1 293.499 2.430 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]CCc1ccc(C)cc1 ZINC000638359369 370469579 /nfs/dbraw/zinc/46/95/79/370469579.db2.gz KMPBBVYAMXEZAG-UHFFFAOYSA-N 2 1 264.413 2.095 20 0 CEADMP CO[C@H](C[NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCOC1 ZINC000638366634 370475174 /nfs/dbraw/zinc/47/51/74/370475174.db2.gz PXSKNNLFMSQFPY-BRWVUGGUSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@@H](C[NH2+]Cc1cccc(F)c1N)C[NH+]1CCCC1 ZINC000638384554 370489325 /nfs/dbraw/zinc/48/93/25/370489325.db2.gz CLWBUHFIKOXCQX-LBPRGKRZSA-N 2 1 265.376 2.229 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]CC1CCSCC1 ZINC000638386261 370490391 /nfs/dbraw/zinc/49/03/91/370490391.db2.gz LXMSEQGVNMNIDQ-UHFFFAOYSA-N 2 1 253.415 2.314 20 0 CEADMP CC[C@@](C)(C[NH2+]CC1([NH+]2CCCC2)CCOCC1)OC ZINC000638556350 370604629 /nfs/dbraw/zinc/60/46/29/370604629.db2.gz KCWANZOQCLXEQI-HNNXBMFYSA-N 2 1 284.444 2.036 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]CCC[C@@H]1CCO1 ZINC000638578809 370617486 /nfs/dbraw/zinc/61/74/86/370617486.db2.gz JHFLVACVTVKTHU-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]CCC[C@@H]1CCO1 ZINC000638578809 370617488 /nfs/dbraw/zinc/61/74/88/370617488.db2.gz JHFLVACVTVKTHU-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000236830184 370635503 /nfs/dbraw/zinc/63/55/03/370635503.db2.gz QINHKIXBZPLVHY-HOCLYGCPSA-N 2 1 291.439 2.141 20 0 CEADMP Cc1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247018884 371048968 /nfs/dbraw/zinc/04/89/68/371048968.db2.gz MSFJKGDBHNEMAK-LSDHHAIUSA-N 2 1 262.397 2.446 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)Cc2ccccc2)CC[N@@H+]1C ZINC000246755124 371004440 /nfs/dbraw/zinc/00/44/40/371004440.db2.gz NNDYUVWDXSRMSR-OIISXLGYSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)Cc2ccccc2)CC[N@H+]1C ZINC000246755124 371004451 /nfs/dbraw/zinc/00/44/51/371004451.db2.gz NNDYUVWDXSRMSR-OIISXLGYSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)Cc2ccccc2)CC[NH+]1C ZINC000246755124 371004460 /nfs/dbraw/zinc/00/44/60/371004460.db2.gz NNDYUVWDXSRMSR-OIISXLGYSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2)CC[NH+]1C ZINC000246755124 371004468 /nfs/dbraw/zinc/00/44/68/371004468.db2.gz NNDYUVWDXSRMSR-OIISXLGYSA-N 2 1 276.424 2.005 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000358306370 371004819 /nfs/dbraw/zinc/00/48/19/371004819.db2.gz ZSECYFAZXWKYJM-BCLQGDPASA-N 2 1 294.826 2.242 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000358306370 371004823 /nfs/dbraw/zinc/00/48/23/371004823.db2.gz ZSECYFAZXWKYJM-BCLQGDPASA-N 2 1 294.826 2.242 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccn(C(F)F)c1=O ZINC000639132110 371010114 /nfs/dbraw/zinc/01/01/14/371010114.db2.gz FIDWOOXAPUIDEJ-UHFFFAOYSA-N 2 1 299.365 2.161 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccn(C(F)F)c1=O ZINC000639132110 371010117 /nfs/dbraw/zinc/01/01/17/371010117.db2.gz FIDWOOXAPUIDEJ-UHFFFAOYSA-N 2 1 299.365 2.161 20 0 CEADMP CO[C@@](C)(C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000639176008 371051076 /nfs/dbraw/zinc/05/10/76/371051076.db2.gz CCXODBNAKHYGOE-WBVHZDCISA-N 2 1 280.456 2.465 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](c1nccn1C)C1CC1 ZINC000639176214 371051194 /nfs/dbraw/zinc/05/11/94/371051194.db2.gz ZGSMJCFZFGTYQF-OAHLLOKOSA-N 2 1 287.411 2.398 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](c1nccn1C)C1CC1 ZINC000639176214 371051201 /nfs/dbraw/zinc/05/12/01/371051201.db2.gz ZGSMJCFZFGTYQF-OAHLLOKOSA-N 2 1 287.411 2.398 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000358351886 371029636 /nfs/dbraw/zinc/02/96/36/371029636.db2.gz LZKQLNYRWQPFDY-WFASDCNBSA-N 2 1 272.396 2.035 20 0 CEADMP COc1cc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccn1 ZINC000639170583 371042865 /nfs/dbraw/zinc/04/28/65/371042865.db2.gz VGTRNVIZURBZNO-HOCLYGCPSA-N 2 1 291.439 2.341 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCOC2CCCC2)[C@@H](C)C1 ZINC000247004792 371045563 /nfs/dbraw/zinc/04/55/63/371045563.db2.gz LXHNHTNMSOXQMX-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247044320 371054120 /nfs/dbraw/zinc/05/41/20/371054120.db2.gz LVOKDJBJRBBILI-IACUBPJLSA-N 2 1 264.417 2.252 20 0 CEADMP CN(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358513017 371097887 /nfs/dbraw/zinc/09/78/87/371097887.db2.gz VAIGZGCSRPJPKJ-UHFFFAOYSA-N 2 1 273.424 2.198 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(CC)c2)C1 ZINC000247228069 371078375 /nfs/dbraw/zinc/07/83/75/371078375.db2.gz YBMCQDBTXUHLHD-KGLIPLIRSA-N 2 1 264.417 2.286 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(CC)c2)C1 ZINC000247228069 371078380 /nfs/dbraw/zinc/07/83/80/371078380.db2.gz YBMCQDBTXUHLHD-KGLIPLIRSA-N 2 1 264.417 2.286 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639198808 371083951 /nfs/dbraw/zinc/08/39/51/371083951.db2.gz SRLBJCPBUPRDKH-KKUMJFAQSA-N 2 1 283.460 2.144 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639198808 371083955 /nfs/dbraw/zinc/08/39/55/371083955.db2.gz SRLBJCPBUPRDKH-KKUMJFAQSA-N 2 1 283.460 2.144 20 0 CEADMP CCC[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)OC ZINC000639206517 371094173 /nfs/dbraw/zinc/09/41/73/371094173.db2.gz AFCINBYRRIIBBC-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)OC ZINC000639206517 371094175 /nfs/dbraw/zinc/09/41/75/371094175.db2.gz AFCINBYRRIIBBC-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)OC ZINC000639206517 371094179 /nfs/dbraw/zinc/09/41/79/371094179.db2.gz AFCINBYRRIIBBC-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCC[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC)OC ZINC000639210421 371100045 /nfs/dbraw/zinc/10/00/45/371100045.db2.gz FQVUSRKFKGBWSF-WFVVYAPDSA-N 2 1 298.471 2.375 20 0 CEADMP CCC[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)OC ZINC000639210421 371100056 /nfs/dbraw/zinc/10/00/56/371100056.db2.gz FQVUSRKFKGBWSF-WFVVYAPDSA-N 2 1 298.471 2.375 20 0 CEADMP CCC[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)OC ZINC000639210421 371100063 /nfs/dbraw/zinc/10/00/63/371100063.db2.gz FQVUSRKFKGBWSF-WFVVYAPDSA-N 2 1 298.471 2.375 20 0 CEADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1 ZINC000358661450 371161454 /nfs/dbraw/zinc/16/14/54/371161454.db2.gz MLPDUNHPJSWEJE-KKUMJFAQSA-N 2 1 256.434 2.103 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639287778 371189210 /nfs/dbraw/zinc/18/92/10/371189210.db2.gz AHGBWLDVEVKXAL-HUUCEWRRSA-N 2 1 283.460 2.001 20 0 CEADMP CC[N@H+](CCC1CC[NH+](CC(=O)OC)CC1)CC(C)C ZINC000358738923 371198778 /nfs/dbraw/zinc/19/87/78/371198778.db2.gz TVOZTPDYNGIPQE-UHFFFAOYSA-N 2 1 284.444 2.239 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](CC(=O)OC)CC1)CC(C)C ZINC000358738923 371198784 /nfs/dbraw/zinc/19/87/84/371198784.db2.gz TVOZTPDYNGIPQE-UHFFFAOYSA-N 2 1 284.444 2.239 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000639346984 371259579 /nfs/dbraw/zinc/25/95/79/371259579.db2.gz JTDBIWYIKXSORV-INIZCTEOSA-N 2 1 262.397 2.000 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000248727660 371239845 /nfs/dbraw/zinc/23/98/45/371239845.db2.gz JAMUAGLGEJVVJA-WBVHZDCISA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000248727660 371239846 /nfs/dbraw/zinc/23/98/46/371239846.db2.gz JAMUAGLGEJVVJA-WBVHZDCISA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000248727660 371239847 /nfs/dbraw/zinc/23/98/47/371239847.db2.gz JAMUAGLGEJVVJA-WBVHZDCISA-N 2 1 296.455 2.382 20 0 CEADMP Cn1cc(CCC[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000639339194 371250798 /nfs/dbraw/zinc/25/07/98/371250798.db2.gz ZQFURBKVBVVFDV-MRXNPFEDSA-N 2 1 290.455 2.064 20 0 CEADMP CCCC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358871901 371253691 /nfs/dbraw/zinc/25/36/91/371253691.db2.gz LAVJRPVLFYEIMJ-HZPDHXFCSA-N 2 1 298.471 2.377 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CCCOC3)C2)cc1 ZINC000249119638 371297771 /nfs/dbraw/zinc/29/77/71/371297771.db2.gz TYAWHRBYPKBKGD-SJORKVTESA-N 2 1 274.408 2.277 20 0 CEADMP C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@@H]1CN2CCC1CC2 ZINC000639395523 371306437 /nfs/dbraw/zinc/30/64/37/371306437.db2.gz BDDXWANDHLRAEY-OAHLLOKOSA-N 2 1 286.379 2.196 20 0 CEADMP C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@@H]1CN2CCC1CC2 ZINC000639395523 371306446 /nfs/dbraw/zinc/30/64/46/371306446.db2.gz BDDXWANDHLRAEY-OAHLLOKOSA-N 2 1 286.379 2.196 20 0 CEADMP COc1ccc(C[N@H+](C)[C@@H]2CN3CCC2CC3)cc1F ZINC000639395537 371307085 /nfs/dbraw/zinc/30/70/85/371307085.db2.gz BOEITWMTURMQCI-OAHLLOKOSA-N 2 1 278.371 2.360 20 0 CEADMP COc1ccc(C[N@@H+](C)[C@@H]2CN3CCC2CC3)cc1F ZINC000639395537 371307086 /nfs/dbraw/zinc/30/70/86/371307086.db2.gz BOEITWMTURMQCI-OAHLLOKOSA-N 2 1 278.371 2.360 20 0 CEADMP FC(F)COCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000249271647 371309261 /nfs/dbraw/zinc/30/92/61/371309261.db2.gz JGVPNPKNHARTSH-TZMCWYRMSA-N 2 1 288.382 2.217 20 0 CEADMP FC(F)COCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000249271647 371309269 /nfs/dbraw/zinc/30/92/69/371309269.db2.gz JGVPNPKNHARTSH-TZMCWYRMSA-N 2 1 288.382 2.217 20 0 CEADMP FC(F)COCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000249271647 371309276 /nfs/dbraw/zinc/30/92/76/371309276.db2.gz JGVPNPKNHARTSH-TZMCWYRMSA-N 2 1 288.382 2.217 20 0 CEADMP FC(F)COCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000249271647 371309280 /nfs/dbraw/zinc/30/92/80/371309280.db2.gz JGVPNPKNHARTSH-TZMCWYRMSA-N 2 1 288.382 2.217 20 0 CEADMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@@H]1CCCO1 ZINC000359084794 371331068 /nfs/dbraw/zinc/33/10/68/371331068.db2.gz RUHNZDJIHIBALD-URGYJCLVSA-N 2 1 252.402 2.160 20 0 CEADMP COCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359100268 371337027 /nfs/dbraw/zinc/33/70/27/371337027.db2.gz ANJGCPWXQLKYOO-ZBFHGGJFSA-N 2 1 262.397 2.276 20 0 CEADMP COCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359100268 371337032 /nfs/dbraw/zinc/33/70/32/371337032.db2.gz ANJGCPWXQLKYOO-ZBFHGGJFSA-N 2 1 262.397 2.276 20 0 CEADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000250634882 371388056 /nfs/dbraw/zinc/38/80/56/371388056.db2.gz FGQXDNCMOPSETP-MXWKQRLJSA-N 2 1 250.308 2.449 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250655000 371388709 /nfs/dbraw/zinc/38/87/09/371388709.db2.gz AVQZCVYMDZUKEA-KBPBESRZSA-N 2 1 270.417 2.169 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCO[C@H]2C)[C@@H](C)C1 ZINC000639535071 371389860 /nfs/dbraw/zinc/38/98/60/371389860.db2.gz ZHHHBHQNVDUHEI-AJNGGQMLSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCO[C@H]2C)[C@@H](C)C1 ZINC000639535071 371389865 /nfs/dbraw/zinc/38/98/65/371389865.db2.gz ZHHHBHQNVDUHEI-AJNGGQMLSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCO[C@H]2C)[C@@H](C)C1 ZINC000639535071 371389871 /nfs/dbraw/zinc/38/98/71/371389871.db2.gz ZHHHBHQNVDUHEI-AJNGGQMLSA-N 2 1 254.418 2.074 20 0 CEADMP C(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000250863003 371393648 /nfs/dbraw/zinc/39/36/48/371393648.db2.gz QRQCRKOMEJGNBL-HOTGVXAUSA-N 2 1 265.445 2.079 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)C[C@@H]1n1ccnc1 ZINC000639542090 371394189 /nfs/dbraw/zinc/39/41/89/371394189.db2.gz CZPCJDRCJUKCOJ-JSGCOSHPSA-N 2 1 272.352 2.067 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)C[C@@H]1n1ccnc1 ZINC000639542091 371394469 /nfs/dbraw/zinc/39/44/69/371394469.db2.gz CZPCJDRCJUKCOJ-OCCSQVGLSA-N 2 1 272.352 2.067 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000251270086 371399384 /nfs/dbraw/zinc/39/93/84/371399384.db2.gz BOHWCEWGLWHESP-UGUYLWEFSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000251270086 371399389 /nfs/dbraw/zinc/39/93/89/371399389.db2.gz BOHWCEWGLWHESP-UGUYLWEFSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000251693213 371412345 /nfs/dbraw/zinc/41/23/45/371412345.db2.gz AXOQDMPMVIQKAP-XGUBFFRZSA-N 2 1 254.418 2.262 20 0 CEADMP Cc1csc([C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)n1 ZINC000359192635 371369848 /nfs/dbraw/zinc/36/98/48/371369848.db2.gz QBNKSJKIHGTKOM-AWEZNQCLSA-N 2 1 295.452 2.215 20 0 CEADMP Cc1csc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)n1 ZINC000359192635 371369850 /nfs/dbraw/zinc/36/98/50/371369850.db2.gz QBNKSJKIHGTKOM-AWEZNQCLSA-N 2 1 295.452 2.215 20 0 CEADMP COC[C@@H](C)C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000249946934 371371035 /nfs/dbraw/zinc/37/10/35/371371035.db2.gz UPDOCEKUWXTZJV-CABCVRRESA-N 2 1 256.434 2.371 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCO[C@H]2C)C[C@@H]1C ZINC000639509970 371372402 /nfs/dbraw/zinc/37/24/02/371372402.db2.gz RSLCURUKBLTRAN-AJNGGQMLSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCO[C@H]2C)C[C@@H]1C ZINC000639509970 371372408 /nfs/dbraw/zinc/37/24/08/371372408.db2.gz RSLCURUKBLTRAN-AJNGGQMLSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCO[C@H]2C)C[C@@H]1C ZINC000639509970 371372414 /nfs/dbraw/zinc/37/24/14/371372414.db2.gz RSLCURUKBLTRAN-AJNGGQMLSA-N 2 1 254.418 2.216 20 0 CEADMP Cc1ncc(C[N@@H+](C)CCC2CC[NH2+]CC2)s1 ZINC000359214334 371378160 /nfs/dbraw/zinc/37/81/60/371378160.db2.gz IOSXQYKYTITHJT-UHFFFAOYSA-N 2 1 253.415 2.273 20 0 CEADMP CC1=CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639624096 371449638 /nfs/dbraw/zinc/44/96/38/371449638.db2.gz OOMBXKMNSDUDAE-GOSISDBHSA-N 2 1 286.419 2.275 20 0 CEADMP CC1=CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639624096 371449643 /nfs/dbraw/zinc/44/96/43/371449643.db2.gz OOMBXKMNSDUDAE-GOSISDBHSA-N 2 1 286.419 2.275 20 0 CEADMP CC1=CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639624096 371449647 /nfs/dbraw/zinc/44/96/47/371449647.db2.gz OOMBXKMNSDUDAE-GOSISDBHSA-N 2 1 286.419 2.275 20 0 CEADMP CC1=CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639624096 371449653 /nfs/dbraw/zinc/44/96/53/371449653.db2.gz OOMBXKMNSDUDAE-GOSISDBHSA-N 2 1 286.419 2.275 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1C ZINC000359433745 371462509 /nfs/dbraw/zinc/46/25/09/371462509.db2.gz WHRANGOZCYPBIK-RFBLXINOSA-N 2 1 296.455 2.427 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1C ZINC000359433745 371462512 /nfs/dbraw/zinc/46/25/12/371462512.db2.gz WHRANGOZCYPBIK-RFBLXINOSA-N 2 1 296.455 2.427 20 0 CEADMP CCc1ccc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252667553 371465318 /nfs/dbraw/zinc/46/53/18/371465318.db2.gz LHKMMZJGWZCJPC-DLBZAZTESA-N 2 1 274.408 2.202 20 0 CEADMP CCc1ccc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000252667553 371465321 /nfs/dbraw/zinc/46/53/21/371465321.db2.gz LHKMMZJGWZCJPC-DLBZAZTESA-N 2 1 274.408 2.202 20 0 CEADMP c1cc2c(cccc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)[nH]1 ZINC000252666700 371465506 /nfs/dbraw/zinc/46/55/06/371465506.db2.gz ATDNBUMJAUMUPJ-GJZGRUSLSA-N 2 1 285.391 2.121 20 0 CEADMP c1cc2c(cccc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)[nH]1 ZINC000252666700 371465508 /nfs/dbraw/zinc/46/55/08/371465508.db2.gz ATDNBUMJAUMUPJ-GJZGRUSLSA-N 2 1 285.391 2.121 20 0 CEADMP C[C@H]1C[C@H](NCCC[NH+]2CCCC[C@H]2C)C[N@H+]1C1CC1 ZINC000252713368 371473417 /nfs/dbraw/zinc/47/34/17/371473417.db2.gz OZJWDVAWEWQSPC-PMPSAXMXSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H]1C[C@H](NCCC[N@@H+]2CCCC[C@H]2C)C[NH+]1C1CC1 ZINC000252713368 371473424 /nfs/dbraw/zinc/47/34/24/371473424.db2.gz OZJWDVAWEWQSPC-PMPSAXMXSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H]1C[C@H](NCCC[N@H+]2CCCC[C@H]2C)C[NH+]1C1CC1 ZINC000252713368 371473428 /nfs/dbraw/zinc/47/34/28/371473428.db2.gz OZJWDVAWEWQSPC-PMPSAXMXSA-N 2 1 279.472 2.466 20 0 CEADMP C[N@H+](CCC(=O)N1CCCCC1)CC[C@H]1CCCC[NH+]1C ZINC000359606001 371475014 /nfs/dbraw/zinc/47/50/14/371475014.db2.gz YPUMHWCFYDYQDP-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP C[NH+](CCC(=O)N1CCCCC1)CC[C@H]1CCCC[N@@H+]1C ZINC000359606001 371475019 /nfs/dbraw/zinc/47/50/19/371475019.db2.gz YPUMHWCFYDYQDP-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP C[NH+](CCC(=O)N1CCCCC1)CC[C@H]1CCCC[N@H+]1C ZINC000359606001 371475023 /nfs/dbraw/zinc/47/50/23/371475023.db2.gz YPUMHWCFYDYQDP-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP COc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252845299 371482094 /nfs/dbraw/zinc/48/20/94/371482094.db2.gz DZHKZNHAPSIIKP-RRQGHBQHSA-N 2 1 290.407 2.133 20 0 CEADMP C[C@H]1C[N@@H+](CC2(C[NH+]3C[C@@H](C)[C@H](C)C3)COC2)C[C@H]1C ZINC000360017381 371499679 /nfs/dbraw/zinc/49/96/79/371499679.db2.gz QSGCOTPFPFHRAT-FPCVCCKLSA-N 2 1 280.456 2.179 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000360091019 371504388 /nfs/dbraw/zinc/50/43/88/371504388.db2.gz SXNRPHHLNJMVPG-QKPAOTATSA-N 2 1 295.471 2.096 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000360708072 371530532 /nfs/dbraw/zinc/53/05/32/371530532.db2.gz QILIPYNREGLQAC-DZGCQCFKSA-N 2 1 292.423 2.319 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360951109 371558132 /nfs/dbraw/zinc/55/81/32/371558132.db2.gz KJYIKCJFWXKFSG-LLVKDONJSA-N 2 1 286.370 2.179 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360951109 371558137 /nfs/dbraw/zinc/55/81/37/371558137.db2.gz KJYIKCJFWXKFSG-LLVKDONJSA-N 2 1 286.370 2.179 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCc3cncs3)C2)CC1 ZINC000639754505 371545107 /nfs/dbraw/zinc/54/51/07/371545107.db2.gz BDCQXYMDODDNHD-UHFFFAOYSA-N 2 1 265.426 2.103 20 0 CEADMP CCO[C@@H](C[N@H+]1CCC2(C1)CC[NH+](C)CC2)C1CC1 ZINC000639757543 371546013 /nfs/dbraw/zinc/54/60/13/371546013.db2.gz LUSCTLASOKLTPB-HNNXBMFYSA-N 2 1 266.429 2.219 20 0 CEADMP COc1ccncc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684173 371493618 /nfs/dbraw/zinc/49/36/18/371493618.db2.gz SMYAHDCVJCNRLT-UHFFFAOYSA-N 2 1 298.390 2.198 20 0 CEADMP CC[N@@H+]1C[C@H](N[C@@H](C)C[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000360008795 371498433 /nfs/dbraw/zinc/49/84/33/371498433.db2.gz ZBDNDMUOOAEBRC-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC(C)C ZINC000360956411 371560576 /nfs/dbraw/zinc/56/05/76/371560576.db2.gz HIBJDQQNQXKGJY-HUUCEWRRSA-N 2 1 283.460 2.001 20 0 CEADMP C[NH+](C/C=C\C[N@H+](C)[C@H]1CCSC1)[C@@H]1CCSC1 ZINC000255163081 371563578 /nfs/dbraw/zinc/56/35/78/371563578.db2.gz JJRXYPBXBCHMRD-LQOBQMSGSA-N 2 1 286.510 2.417 20 0 CEADMP C[NH+](C/C=C\C[N@H+](C)[C@@H]1CCSC1)[C@H]1CCSC1 ZINC000255163081 371563584 /nfs/dbraw/zinc/56/35/84/371563584.db2.gz JJRXYPBXBCHMRD-LQOBQMSGSA-N 2 1 286.510 2.417 20 0 CEADMP C[NH+](C/C=C\C[N@@H+](C)[C@@H]1CCSC1)[C@H]1CCSC1 ZINC000255163081 371563588 /nfs/dbraw/zinc/56/35/88/371563588.db2.gz JJRXYPBXBCHMRD-LQOBQMSGSA-N 2 1 286.510 2.417 20 0 CEADMP C[NH+](C/C=C\C[N@H+](C)[C@@H]1CCSC1)[C@@H]1CCSC1 ZINC000255163078 371563979 /nfs/dbraw/zinc/56/39/79/371563979.db2.gz JJRXYPBXBCHMRD-JHZNUDOXSA-N 2 1 286.510 2.417 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639795881 371575544 /nfs/dbraw/zinc/57/55/44/371575544.db2.gz BINHGNAQUSOOQN-UHFFFAOYSA-N 2 1 299.422 2.495 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639795881 371575550 /nfs/dbraw/zinc/57/55/50/371575550.db2.gz BINHGNAQUSOOQN-UHFFFAOYSA-N 2 1 299.422 2.495 20 0 CEADMP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261542495 371639790 /nfs/dbraw/zinc/63/97/90/371639790.db2.gz OUGQHBJRHDXKDB-ZYHUDNBSSA-N 2 1 253.415 2.271 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(N)c2)C1 ZINC000261706894 371706917 /nfs/dbraw/zinc/70/69/17/371706917.db2.gz PEQTXNZZHIHRAF-HNNXBMFYSA-N 2 1 261.413 2.433 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261706894 371706925 /nfs/dbraw/zinc/70/69/25/371706925.db2.gz PEQTXNZZHIHRAF-HNNXBMFYSA-N 2 1 261.413 2.433 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000261809317 371740012 /nfs/dbraw/zinc/74/00/12/371740012.db2.gz HNVHAVQETUKVNN-OAHLLOKOSA-N 2 1 290.455 2.487 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000361230008 371728196 /nfs/dbraw/zinc/72/81/96/371728196.db2.gz CXQODMCZGKNIHU-OWCLPIDISA-N 2 1 296.842 2.488 20 0 CEADMP Cc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])c(-c2ccnn2C)c1 ZINC000261774107 371728772 /nfs/dbraw/zinc/72/87/72/371728772.db2.gz DYZGOGSZEBJOMM-CYBMUJFWSA-N 2 1 272.396 2.175 20 0 CEADMP Cc1ccc(C[N@H+](C)[C@H](C)C[NH3+])c(-c2ccnn2C)c1 ZINC000261774107 371728776 /nfs/dbraw/zinc/72/87/76/371728776.db2.gz DYZGOGSZEBJOMM-CYBMUJFWSA-N 2 1 272.396 2.175 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccnn1-c1ccc(F)cc1 ZINC000261799922 371735330 /nfs/dbraw/zinc/73/53/30/371735330.db2.gz GXFBWFOSFJVBIZ-CHWSQXEVSA-N 2 1 288.370 2.181 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccnn1-c1ccc(F)cc1 ZINC000261799922 371735340 /nfs/dbraw/zinc/73/53/40/371735340.db2.gz GXFBWFOSFJVBIZ-CHWSQXEVSA-N 2 1 288.370 2.181 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000640015788 371736264 /nfs/dbraw/zinc/73/62/64/371736264.db2.gz NUZXZBPMLQLVBG-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261850973 371749150 /nfs/dbraw/zinc/74/91/50/371749150.db2.gz MYKMXSPHWATFKB-JKSUJKDBSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1nc(C)c(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000361315485 371777155 /nfs/dbraw/zinc/77/71/55/371777155.db2.gz KWZWGPHUVODMPQ-MFKMUULPSA-N 2 1 267.442 2.232 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261950759 371782657 /nfs/dbraw/zinc/78/26/57/371782657.db2.gz NXCMRXQCXAIROB-MLGOLLRUSA-N 2 1 262.397 2.427 20 0 CEADMP Cc1c[nH+]ccc1OC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261973472 371787923 /nfs/dbraw/zinc/78/79/23/371787923.db2.gz QMBVCGFITUHGDI-UHFFFAOYSA-N 3 1 289.423 2.233 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000353338048 220033928 /nfs/dbraw/zinc/03/39/28/220033928.db2.gz RHKODUDWAINRGM-OAHLLOKOSA-N 2 1 283.460 2.144 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000262153146 371831116 /nfs/dbraw/zinc/83/11/16/371831116.db2.gz RYNZYYNPOQSTRV-GDBMZVCRSA-N 2 1 283.460 2.275 20 0 CEADMP Cc1nc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)sc1C ZINC000344039905 217022313 /nfs/dbraw/zinc/02/23/13/217022313.db2.gz VCFBQWOMVFLWFZ-UHFFFAOYSA-N 2 1 298.500 2.075 20 0 CEADMP Cc1nc(C[N@H+](C)CCCN(C)CC[NH+](C)C)sc1C ZINC000344039905 217022315 /nfs/dbraw/zinc/02/23/15/217022315.db2.gz VCFBQWOMVFLWFZ-UHFFFAOYSA-N 2 1 298.500 2.075 20 0 CEADMP Cc1ccc(C[N@H+](C)[C@@H](C)CN)c(-c2cnn(C)c2)c1 ZINC000262006539 371796583 /nfs/dbraw/zinc/79/65/83/371796583.db2.gz URQJPEHFYJIQIG-ZDUSSCGKSA-N 2 1 272.396 2.175 20 0 CEADMP Cc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])c(-c2cnn(C)c2)c1 ZINC000262006539 371796590 /nfs/dbraw/zinc/79/65/90/371796590.db2.gz URQJPEHFYJIQIG-ZDUSSCGKSA-N 2 1 272.396 2.175 20 0 CEADMP Cc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])c(-c2cnn(C)c2)c1 ZINC000262006539 371796599 /nfs/dbraw/zinc/79/65/99/371796599.db2.gz URQJPEHFYJIQIG-ZDUSSCGKSA-N 2 1 272.396 2.175 20 0 CEADMP C[C@@]1(C[NH+]2CCC(Oc3ncccc3F)CC2)CC[NH2+]C1 ZINC000262029523 371803881 /nfs/dbraw/zinc/80/38/81/371803881.db2.gz NZBVSYDUALPVIB-MRXNPFEDSA-N 2 1 293.386 2.064 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1C ZINC000262043229 371811635 /nfs/dbraw/zinc/81/16/35/371811635.db2.gz PJLZOIUMJQXRRL-INIZCTEOSA-N 2 1 260.381 2.189 20 0 CEADMP COc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1C ZINC000262043229 371811642 /nfs/dbraw/zinc/81/16/42/371811642.db2.gz PJLZOIUMJQXRRL-INIZCTEOSA-N 2 1 260.381 2.189 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]21 ZINC000262054456 371813293 /nfs/dbraw/zinc/81/32/93/371813293.db2.gz DGBJTUFRYGJGCE-ZTFGCOKTSA-N 2 1 296.418 2.432 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]21 ZINC000262054456 371813303 /nfs/dbraw/zinc/81/33/03/371813303.db2.gz DGBJTUFRYGJGCE-ZTFGCOKTSA-N 2 1 296.418 2.432 20 0 CEADMP COc1ccccc1[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262071295 371817864 /nfs/dbraw/zinc/81/78/64/371817864.db2.gz SDNUHMLXHUMCPL-RHSMWYFYSA-N 2 1 274.408 2.484 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CCC1 ZINC000262087986 371821921 /nfs/dbraw/zinc/82/19/21/371821921.db2.gz GNZQCHURMPDMMB-INIZCTEOSA-N 2 1 290.407 2.215 20 0 CEADMP c1ccc([C@H]2COCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262302285 371849039 /nfs/dbraw/zinc/84/90/39/371849039.db2.gz XSOYIDSLTVHTPJ-MRXNPFEDSA-N 2 1 260.381 2.060 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262440242 371862655 /nfs/dbraw/zinc/86/26/55/371862655.db2.gz SRXJCMKRDPYXSE-JYJNAYRXSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCCn2nccc21 ZINC000640216515 371874221 /nfs/dbraw/zinc/87/42/21/371874221.db2.gz BKZHEPMHMHHBDS-KGLIPLIRSA-N 2 1 262.401 2.182 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCCn2nccc21 ZINC000640216515 371874228 /nfs/dbraw/zinc/87/42/28/371874228.db2.gz BKZHEPMHMHHBDS-KGLIPLIRSA-N 2 1 262.401 2.182 20 0 CEADMP C[C@H](CNC(=O)CCCCCC[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000262210735 371837534 /nfs/dbraw/zinc/83/75/34/371837534.db2.gz XYFZSMXZMAVWQA-LSDHHAIUSA-N 2 1 283.460 2.132 20 0 CEADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)C[C@@H](C)CC ZINC000344149800 217075342 /nfs/dbraw/zinc/07/53/42/217075342.db2.gz RUORPLFBOANYPN-INIZCTEOSA-N 2 1 269.477 2.382 20 0 CEADMP C[C@H](O)CCC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533396 372023885 /nfs/dbraw/zinc/02/38/85/372023885.db2.gz HSVOVYVOFREADX-HNNXBMFYSA-N 2 1 256.434 2.345 20 0 CEADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000361660640 372011151 /nfs/dbraw/zinc/01/11/51/372011151.db2.gz BZUZVYIEYRLPBL-SOUVJXGZSA-N 2 1 276.428 2.141 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000361893727 372119247 /nfs/dbraw/zinc/11/92/47/372119247.db2.gz LDTUWUNTUWDRAU-OWCLPIDISA-N 2 1 277.412 2.376 20 0 CEADMP COc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000361980137 372156620 /nfs/dbraw/zinc/15/66/20/372156620.db2.gz HNAZGIRLUCPSMH-HIFRSBDPSA-N 2 1 262.397 2.433 20 0 CEADMP COc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000361980137 372156624 /nfs/dbraw/zinc/15/66/24/372156624.db2.gz HNAZGIRLUCPSMH-HIFRSBDPSA-N 2 1 262.397 2.433 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000268776709 372216780 /nfs/dbraw/zinc/21/67/80/372216780.db2.gz AOUGLIRTHGNUQK-GFCCVEGCSA-N 2 1 298.390 2.061 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000362099073 372220084 /nfs/dbraw/zinc/22/00/84/372220084.db2.gz OVYUVVGXPGHEFU-KFWWJZLASA-N 2 1 277.412 2.327 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000362099073 372220090 /nfs/dbraw/zinc/22/00/90/372220090.db2.gz OVYUVVGXPGHEFU-KFWWJZLASA-N 2 1 277.412 2.327 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000268782797 372220187 /nfs/dbraw/zinc/22/01/87/372220187.db2.gz CPSBTEFITSHISM-ODXCJYRJSA-N 2 1 291.420 2.280 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(C)n1 ZINC000268787634 372221761 /nfs/dbraw/zinc/22/17/61/372221761.db2.gz WFIVYUOVWYQSNU-GFCCVEGCSA-N 2 1 264.417 2.474 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(C)n1 ZINC000268787634 372221765 /nfs/dbraw/zinc/22/17/65/372221765.db2.gz WFIVYUOVWYQSNU-GFCCVEGCSA-N 2 1 264.417 2.474 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C)cc2)[C@H](C)C1 ZINC000268814370 372235933 /nfs/dbraw/zinc/23/59/33/372235933.db2.gz VGSPWQOGBNNBON-HYVNUMGLSA-N 2 1 276.424 2.348 20 0 CEADMP COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268719859 372194567 /nfs/dbraw/zinc/19/45/67/372194567.db2.gz OBUJBQHXOLMTQL-GOEBONIOSA-N 2 1 262.397 2.133 20 0 CEADMP COCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268719859 372194576 /nfs/dbraw/zinc/19/45/76/372194576.db2.gz OBUJBQHXOLMTQL-GOEBONIOSA-N 2 1 262.397 2.133 20 0 CEADMP Cc1cccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1C ZINC000268836391 372247844 /nfs/dbraw/zinc/24/78/44/372247844.db2.gz LXYJOSIVJBTNNF-HOTGVXAUSA-N 2 1 276.424 2.411 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000268837575 372248636 /nfs/dbraw/zinc/24/86/36/372248636.db2.gz MEBPRPVMINZGQG-KRWDZBQOSA-N 2 1 292.398 2.249 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)OC(C)C)C[C@@H]1C ZINC000362180590 372260950 /nfs/dbraw/zinc/26/09/50/372260950.db2.gz INCDUPNDJKRBSA-UONOGXRCSA-N 2 1 270.417 2.133 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)OC(C)C)C[C@@H]1C ZINC000362180590 372260954 /nfs/dbraw/zinc/26/09/54/372260954.db2.gz INCDUPNDJKRBSA-UONOGXRCSA-N 2 1 270.417 2.133 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)OC(C)C)C[C@@H]1C ZINC000362180590 372260958 /nfs/dbraw/zinc/26/09/58/372260958.db2.gz INCDUPNDJKRBSA-UONOGXRCSA-N 2 1 270.417 2.133 20 0 CEADMP COc1ccnc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000362189006 372262594 /nfs/dbraw/zinc/26/25/94/372262594.db2.gz UJSMCXYFJRZRFK-OCCSQVGLSA-N 2 1 263.385 2.005 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000362302088 372304453 /nfs/dbraw/zinc/30/44/53/372304453.db2.gz WLNAEAISERWZFF-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CN1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)Cc2ccccc21 ZINC000269130805 372351171 /nfs/dbraw/zinc/35/11/71/372351171.db2.gz KARTZLDJXMCUPY-INIZCTEOSA-N 2 1 273.424 2.423 20 0 CEADMP CN1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)Cc2ccccc21 ZINC000269130805 372351174 /nfs/dbraw/zinc/35/11/74/372351174.db2.gz KARTZLDJXMCUPY-INIZCTEOSA-N 2 1 273.424 2.423 20 0 CEADMP CN1CC[NH+](CC[C@@H]2CCC[N@H+]2C)Cc2ccccc21 ZINC000269130805 372351175 /nfs/dbraw/zinc/35/11/75/372351175.db2.gz KARTZLDJXMCUPY-INIZCTEOSA-N 2 1 273.424 2.423 20 0 CEADMP Cn1cccc1C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000362613547 372458454 /nfs/dbraw/zinc/45/84/54/372458454.db2.gz CATMSLNPXZURAN-UHFFFAOYSA-N 2 1 291.439 2.100 20 0 CEADMP Cn1cccc1C[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000362613547 372458458 /nfs/dbraw/zinc/45/84/58/372458458.db2.gz CATMSLNPXZURAN-UHFFFAOYSA-N 2 1 291.439 2.100 20 0 CEADMP CC[C@@H](C)[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)OC ZINC000362977144 372602716 /nfs/dbraw/zinc/60/27/16/372602716.db2.gz PAWQDKGGXLURPN-DOMZBBRYSA-N 2 1 254.418 2.264 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc2ccccc2n1C ZINC000641773987 372717613 /nfs/dbraw/zinc/71/76/13/372717613.db2.gz AUMGSPHIDHGICU-UHFFFAOYSA-N 2 1 268.364 2.244 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641803081 372748567 /nfs/dbraw/zinc/74/85/67/372748567.db2.gz DGLMVRLEFAMRQW-IHRRRGAJSA-N 2 1 289.423 2.346 20 0 CEADMP Cc1c(Cl)cccc1NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641804806 372749626 /nfs/dbraw/zinc/74/96/26/372749626.db2.gz JYQMXZMNBCQNAK-QWHCGFSZSA-N 2 1 295.814 2.302 20 0 CEADMP Cc1ccc(NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1Cl ZINC000641807938 372754260 /nfs/dbraw/zinc/75/42/60/372754260.db2.gz VXZNJCGOKAPROV-QWHCGFSZSA-N 2 1 295.814 2.302 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H]1CCC3(CCCC3)O1)C2 ZINC000641817977 372764358 /nfs/dbraw/zinc/76/43/58/372764358.db2.gz ARAKFNJKHLFWMH-OAGGEKHMSA-N 2 1 278.440 2.410 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1CCC3(CCCC3)O1)C2 ZINC000641817977 372764367 /nfs/dbraw/zinc/76/43/67/372764367.db2.gz ARAKFNJKHLFWMH-OAGGEKHMSA-N 2 1 278.440 2.410 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000344628866 217254503 /nfs/dbraw/zinc/25/45/03/217254503.db2.gz AXOXSFRVTCWVOV-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344628866 217254504 /nfs/dbraw/zinc/25/45/04/217254504.db2.gz AXOXSFRVTCWVOV-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344628866 217254505 /nfs/dbraw/zinc/25/45/05/217254505.db2.gz AXOXSFRVTCWVOV-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCOCC[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000365788355 372933996 /nfs/dbraw/zinc/93/39/96/372933996.db2.gz SNEZDEZFWSNPPQ-UHFFFAOYSA-N 2 1 292.427 2.031 20 0 CEADMP CCOCC[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000365788355 372934002 /nfs/dbraw/zinc/93/40/02/372934002.db2.gz SNEZDEZFWSNPPQ-UHFFFAOYSA-N 2 1 292.427 2.031 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCn2cnc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000353506453 220125433 /nfs/dbraw/zinc/12/54/33/220125433.db2.gz YNRIQSRVBDOPMM-VYDXJSESSA-N 2 1 298.434 2.499 20 0 CEADMP CC1CC[NH+](CCN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000366361256 373026928 /nfs/dbraw/zinc/02/69/28/373026928.db2.gz SPGDHGHEQJHOBP-SQNIBIBYSA-N 2 1 291.483 2.134 20 0 CEADMP CCc1nc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cs1 ZINC000353529795 220139864 /nfs/dbraw/zinc/13/98/64/220139864.db2.gz QWLMFGAVBZYYMD-UHFFFAOYSA-N 2 1 297.468 2.248 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)nc1 ZINC000643427637 373114427 /nfs/dbraw/zinc/11/44/27/373114427.db2.gz GJWBWYKIVFBLFX-RDBSUJKOSA-N 2 1 277.412 2.286 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)nc1 ZINC000643427637 373114437 /nfs/dbraw/zinc/11/44/37/373114437.db2.gz GJWBWYKIVFBLFX-RDBSUJKOSA-N 2 1 277.412 2.286 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(CCOc3ccccc3F)C2)C1 ZINC000366496418 373069697 /nfs/dbraw/zinc/06/96/97/373069697.db2.gz JGUZSWYFOACXMM-MRXNPFEDSA-N 2 1 278.371 2.232 20 0 CEADMP c1[nH]nc2cc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)ccc12 ZINC000367467728 373158309 /nfs/dbraw/zinc/15/83/09/373158309.db2.gz UXCWDDAQVGCUJP-RYRKJORJSA-N 2 1 296.418 2.479 20 0 CEADMP c1[nH]nc2cc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)ccc12 ZINC000367467728 373158313 /nfs/dbraw/zinc/15/83/13/373158313.db2.gz UXCWDDAQVGCUJP-RYRKJORJSA-N 2 1 296.418 2.479 20 0 CEADMP c1[nH]nc2cc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)ccc12 ZINC000367467728 373158318 /nfs/dbraw/zinc/15/83/18/373158318.db2.gz UXCWDDAQVGCUJP-RYRKJORJSA-N 2 1 296.418 2.479 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000367526934 373160217 /nfs/dbraw/zinc/16/02/17/373160217.db2.gz KUHAMNHIOGGYHE-ZJPYXAASSA-N 2 1 288.435 2.052 20 0 CEADMP C[N@@H+](CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21)C1CCCC1 ZINC000367604372 373165203 /nfs/dbraw/zinc/16/52/03/373165203.db2.gz BDIAUOVLSWPAPZ-BRWVUGGUSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C1CCCC1 ZINC000367604372 373165206 /nfs/dbraw/zinc/16/52/06/373165206.db2.gz BDIAUOVLSWPAPZ-BRWVUGGUSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C1CCCC1 ZINC000367604372 373165210 /nfs/dbraw/zinc/16/52/10/373165210.db2.gz BDIAUOVLSWPAPZ-BRWVUGGUSA-N 2 1 279.472 2.323 20 0 CEADMP COc1cccc(C[C@H]([NH2+]CC[NH2+]C2CC2)C2CC2)c1 ZINC000643507139 373166634 /nfs/dbraw/zinc/16/66/34/373166634.db2.gz UBDGANYTJHKWEZ-KRWDZBQOSA-N 2 1 274.408 2.358 20 0 CEADMP COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1c[nH+]ccc1N)C2 ZINC000643451930 373121387 /nfs/dbraw/zinc/12/13/87/373121387.db2.gz APGVBWNPYSFITK-DGCLKSJQSA-N 2 1 299.374 2.157 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)CC(F)(F)F)C2)CC1 ZINC000366889798 373126905 /nfs/dbraw/zinc/12/69/05/373126905.db2.gz YFUPMUHGWYHIDH-GFCCVEGCSA-N 2 1 294.361 2.108 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462799 373130513 /nfs/dbraw/zinc/13/05/13/373130513.db2.gz OPQBAHIXNQQZAK-HYVNUMGLSA-N 2 1 279.472 2.371 20 0 CEADMP CN(Cc1ccn(C)n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000271198393 373174321 /nfs/dbraw/zinc/17/43/21/373174321.db2.gz SHJJREKTWOTDJN-QGZVFWFLSA-N 2 1 298.434 2.374 20 0 CEADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000643526052 373183487 /nfs/dbraw/zinc/18/34/87/373183487.db2.gz OIDVZRYRIZFGGG-BDAKNGLRSA-N 2 1 257.175 2.447 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546741 373202987 /nfs/dbraw/zinc/20/29/87/373202987.db2.gz UHQFIPKLIYJLIS-AAEUAGOBSA-N 2 1 262.401 2.054 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000271908725 373209632 /nfs/dbraw/zinc/20/96/32/373209632.db2.gz RPYXMQWBNLWKSP-AWEZNQCLSA-N 2 1 293.436 2.346 20 0 CEADMP C[N@H+](Cc1cncnc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000368813715 373266865 /nfs/dbraw/zinc/26/68/65/373266865.db2.gz JUOTUOVGIAQQOZ-UHFFFAOYSA-N 2 1 297.406 2.220 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000353595329 220180446 /nfs/dbraw/zinc/18/04/46/220180446.db2.gz JLJIZRARCCCXLD-YJBOKZPZSA-N 2 1 298.434 2.361 20 0 CEADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4CC4)C[C@H]3C2)cc1 ZINC000369305579 373383168 /nfs/dbraw/zinc/38/31/68/373383168.db2.gz LPZNRZIZKCDVTH-CALCHBBNSA-N 2 1 256.393 2.460 20 0 CEADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4CC4)C[C@H]3C2)cc1 ZINC000369305579 373383170 /nfs/dbraw/zinc/38/31/70/373383170.db2.gz LPZNRZIZKCDVTH-CALCHBBNSA-N 2 1 256.393 2.460 20 0 CEADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CC4CC4)C[C@H]3C2)cc1 ZINC000369305579 373383177 /nfs/dbraw/zinc/38/31/77/373383177.db2.gz LPZNRZIZKCDVTH-CALCHBBNSA-N 2 1 256.393 2.460 20 0 CEADMP CCCCOC[C@H](O)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000369494463 373435490 /nfs/dbraw/zinc/43/54/90/373435490.db2.gz QQIHWKCSQXXODQ-QGZVFWFLSA-N 2 1 298.471 2.161 20 0 CEADMP C[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000644522215 373508471 /nfs/dbraw/zinc/50/84/71/373508471.db2.gz BNTKYORTSGKVGO-LSDHHAIUSA-N 2 1 276.424 2.389 20 0 CEADMP COC(=O)[C@@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000370160461 373593761 /nfs/dbraw/zinc/59/37/61/373593761.db2.gz GWTGVAOFJJABIG-HOTGVXAUSA-N 2 1 296.455 2.384 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCCC1CC1 ZINC000644571171 373537566 /nfs/dbraw/zinc/53/75/66/373537566.db2.gz ZXSLQPXORFXUIF-KRWDZBQOSA-N 2 1 276.424 2.259 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCCC1CC1 ZINC000644571171 373537576 /nfs/dbraw/zinc/53/75/76/373537576.db2.gz ZXSLQPXORFXUIF-KRWDZBQOSA-N 2 1 276.424 2.259 20 0 CEADMP C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000644574003 373539027 /nfs/dbraw/zinc/53/90/27/373539027.db2.gz KAZPMWPSZZFUJW-DYEKYZERSA-N 2 1 268.426 2.101 20 0 CEADMP C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000644574003 373539038 /nfs/dbraw/zinc/53/90/38/373539038.db2.gz KAZPMWPSZZFUJW-DYEKYZERSA-N 2 1 268.426 2.101 20 0 CEADMP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)n1 ZINC000370670509 373711119 /nfs/dbraw/zinc/71/11/19/373711119.db2.gz CSEJXNIRYZCAEC-CFVMTHIKSA-N 2 1 274.412 2.371 20 0 CEADMP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)n1 ZINC000370670509 373711129 /nfs/dbraw/zinc/71/11/29/373711129.db2.gz CSEJXNIRYZCAEC-CFVMTHIKSA-N 2 1 274.412 2.371 20 0 CEADMP CC(C)(O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371176037 373806914 /nfs/dbraw/zinc/80/69/14/373806914.db2.gz JNCKTHHLUVMHIC-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP O[C@@H]1CCCC[C@H]1[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371205696 373811672 /nfs/dbraw/zinc/81/16/72/373811672.db2.gz VADAYUFBJQCDDD-GVDBMIGSSA-N 2 1 280.456 2.488 20 0 CEADMP COCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371209031 373813322 /nfs/dbraw/zinc/81/33/22/373813322.db2.gz RNYSZFHLYSSPGK-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)C1 ZINC000371263763 373824608 /nfs/dbraw/zinc/82/46/08/373824608.db2.gz CYSYZENRCRAFHU-KFWWJZLASA-N 2 1 293.455 2.027 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371445458 373883835 /nfs/dbraw/zinc/88/38/35/373883835.db2.gz HXBGTEAHVJSTNP-ZIAGYGMSSA-N 2 1 276.428 2.424 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371445458 373883841 /nfs/dbraw/zinc/88/38/41/373883841.db2.gz HXBGTEAHVJSTNP-ZIAGYGMSSA-N 2 1 276.428 2.424 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371445456 373884075 /nfs/dbraw/zinc/88/40/75/373884075.db2.gz HXBGTEAHVJSTNP-KGLIPLIRSA-N 2 1 276.428 2.424 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371445456 373884079 /nfs/dbraw/zinc/88/40/79/373884079.db2.gz HXBGTEAHVJSTNP-KGLIPLIRSA-N 2 1 276.428 2.424 20 0 CEADMP C[NH+](C)[C@@H](CNC(=O)CCCC[NH3+])c1ccccc1Cl ZINC000645157836 373885545 /nfs/dbraw/zinc/88/55/45/373885545.db2.gz CRKBBHHBBHEEKP-AWEZNQCLSA-N 2 1 297.830 2.188 20 0 CEADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cn1 ZINC000371723640 373959823 /nfs/dbraw/zinc/95/98/23/373959823.db2.gz MDNIHDBCDJOBLH-IRXDYDNUSA-N 2 1 284.407 2.203 20 0 CEADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cn1 ZINC000371723640 373959829 /nfs/dbraw/zinc/95/98/29/373959829.db2.gz MDNIHDBCDJOBLH-IRXDYDNUSA-N 2 1 284.407 2.203 20 0 CEADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372066312 374035449 /nfs/dbraw/zinc/03/54/49/374035449.db2.gz YHUXQEHZZBDGFH-MCIONIFRSA-N 2 1 286.485 2.359 20 0 CEADMP C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372066312 374035457 /nfs/dbraw/zinc/03/54/57/374035457.db2.gz YHUXQEHZZBDGFH-MCIONIFRSA-N 2 1 286.485 2.359 20 0 CEADMP CC[C@@](C)(O)C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000372553908 374154458 /nfs/dbraw/zinc/15/44/58/374154458.db2.gz NYRDZQKKWSVQQP-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP Cc1ccncc1CCC[N@H+]1CCOC2(CCOCC2)C1 ZINC000275203543 374184629 /nfs/dbraw/zinc/18/46/29/374184629.db2.gz GNFUNTRPRWCILA-UHFFFAOYSA-N 2 1 290.407 2.204 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC[C@H]2CCOC2)CC1 ZINC000645892141 374257622 /nfs/dbraw/zinc/25/76/22/374257622.db2.gz LNAZLVNAKIDHJS-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cccs3)C2)CC1 ZINC000373818626 374425244 /nfs/dbraw/zinc/42/52/44/374425244.db2.gz NSRKDXGKSFGXBV-OAHLLOKOSA-N 2 1 293.480 2.350 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000373818626 374425251 /nfs/dbraw/zinc/42/52/51/374425251.db2.gz NSRKDXGKSFGXBV-OAHLLOKOSA-N 2 1 293.480 2.350 20 0 CEADMP CCN(CC)CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073498 374480710 /nfs/dbraw/zinc/48/07/10/374480710.db2.gz AOMZJGJFLGBGRF-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP CC[NH+](CC)CCN1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073498 374480713 /nfs/dbraw/zinc/48/07/13/374480713.db2.gz AOMZJGJFLGBGRF-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cn4cccnc4n3)C2)CC1 ZINC000374180332 374509079 /nfs/dbraw/zinc/50/90/79/374509079.db2.gz ZSBIUGWHMBOIOX-UHFFFAOYSA-N 2 1 299.422 2.037 20 0 CEADMP Cc1n[nH]cc1C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374282321 374528621 /nfs/dbraw/zinc/52/86/21/374528621.db2.gz GGGUPFQIKBUJCS-HNNXBMFYSA-N 2 1 288.439 2.414 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CC[C@H]([C@H]4CCOC4)C3)cn2)cn1 ZINC000374409078 374564516 /nfs/dbraw/zinc/56/45/16/374564516.db2.gz BHZQHQBSNMOICU-HOTGVXAUSA-N 2 1 298.390 2.126 20 0 CEADMP CCOC1CC(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000377124689 374796529 /nfs/dbraw/zinc/79/65/29/374796529.db2.gz GKYMWWGHVXUCJX-AEFXTWNNSA-N 2 1 278.440 2.218 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2CCSC2)cn1 ZINC000278421168 374812085 /nfs/dbraw/zinc/81/20/85/374812085.db2.gz QRDYWFFSTJUJOV-CQSZACIVSA-N 2 1 288.420 2.418 20 0 CEADMP CN(C)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000377410406 374851399 /nfs/dbraw/zinc/85/13/99/374851399.db2.gz JICDPTCAIGWEGQ-NNZMDNLPSA-N 2 1 287.451 2.333 20 0 CEADMP CN(C)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000377410406 374851410 /nfs/dbraw/zinc/85/14/10/374851410.db2.gz JICDPTCAIGWEGQ-NNZMDNLPSA-N 2 1 287.451 2.333 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(F)nc3)C2)CC1 ZINC000377881841 374973806 /nfs/dbraw/zinc/97/38/06/374973806.db2.gz ACMYTBQRFFYNNF-HNNXBMFYSA-N 2 1 277.387 2.384 20 0 CEADMP Cc1[nH+]ccn1CCCCN1CCC[C@H]1c1ncon1 ZINC000378353710 375081510 /nfs/dbraw/zinc/08/15/10/375081510.db2.gz GZPMMUWISLYXPE-ZDUSSCGKSA-N 2 1 275.356 2.192 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000573966574 299465295 /nfs/dbraw/zinc/46/52/95/299465295.db2.gz ZKVXDINSIBGHME-UHFFFAOYSA-N 3 1 275.440 2.498 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000384203158 375209872 /nfs/dbraw/zinc/20/98/72/375209872.db2.gz BGLSSWOMUFOFNY-ZBFHGGJFSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H]([NH2+]CCc1ccccc1F)[C@@H]1CCCC[NH2+]1 ZINC000386614082 375264261 /nfs/dbraw/zinc/26/42/61/375264261.db2.gz XDUBADMDDASBBY-WFASDCNBSA-N 2 1 250.361 2.488 20 0 CEADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)nn1C ZINC000414285222 375820487 /nfs/dbraw/zinc/82/04/87/375820487.db2.gz LMFNXTXFOGCGMV-CQSZACIVSA-N 2 1 278.444 2.330 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000414135896 375797726 /nfs/dbraw/zinc/79/77/26/375797726.db2.gz FAWSFFIYUIECLW-XPABHHOTSA-N 2 1 252.402 2.016 20 0 CEADMP COc1ncc([C@H](C)NC[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000284134731 375815113 /nfs/dbraw/zinc/81/51/13/375815113.db2.gz CZFWYZACYALFAG-CMPLNLGQSA-N 2 1 283.803 2.488 20 0 CEADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)nn1 ZINC000414276546 375816326 /nfs/dbraw/zinc/81/63/26/375816326.db2.gz AFQLOLIZGZYVGA-AWEZNQCLSA-N 2 1 276.428 2.387 20 0 CEADMP C[NH2+][C@H](C)Cc1noc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000414644361 375895657 /nfs/dbraw/zinc/89/56/57/375895657.db2.gz MEZFCYOVSQRVAE-YPMHNXCESA-N 2 1 278.400 2.300 20 0 CEADMP COCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCCSC1 ZINC000414760220 375952982 /nfs/dbraw/zinc/95/29/82/375952982.db2.gz GRIWCEVPWBXPQO-ZNMIVQPWSA-N 2 1 286.485 2.219 20 0 CEADMP CCC[C@]1(CO)CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414760560 375953014 /nfs/dbraw/zinc/95/30/14/375953014.db2.gz QXKCUJUBMJTZKD-QLFBSQMISA-N 2 1 254.418 2.002 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](CC)C(=O)OCC ZINC000414761929 375953164 /nfs/dbraw/zinc/95/31/64/375953164.db2.gz VBYIKIMNIPMPJC-RBSFLKMASA-N 2 1 284.444 2.428 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](C/C=C/c2ccccc2)CC12CCOCC2 ZINC000414776367 375961426 /nfs/dbraw/zinc/96/14/26/375961426.db2.gz HDDZKXRZDOMAQS-PFWMLDTASA-N 2 1 286.419 2.387 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000414783305 375967966 /nfs/dbraw/zinc/96/79/66/375967966.db2.gz PTXJQWIZFUZXPJ-HUUCEWRRSA-N 2 1 289.423 2.302 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414679157 375913873 /nfs/dbraw/zinc/91/38/73/375913873.db2.gz LFMFBINDTXRCOZ-CABCVRRESA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)N1CCC([N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414679157 375913878 /nfs/dbraw/zinc/91/38/78/375913878.db2.gz LFMFBINDTXRCOZ-CABCVRRESA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)N1CCC([N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414679157 375913883 /nfs/dbraw/zinc/91/38/83/375913883.db2.gz LFMFBINDTXRCOZ-CABCVRRESA-N 2 1 267.461 2.179 20 0 CEADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)ccc1O ZINC000414680640 375915749 /nfs/dbraw/zinc/91/57/49/375915749.db2.gz NITDPRKEJPJZIC-GXTWGEPZSA-N 2 1 278.396 2.221 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](C)CCN(C)c2ccccc2)CC[NH2+]1 ZINC000414689188 375918753 /nfs/dbraw/zinc/91/87/53/375918753.db2.gz FLZVJOLQJSDGSB-JKSUJKDBSA-N 2 1 275.440 2.443 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCCN(c3nccs3)CC2)CC[NH2+]1 ZINC000414699460 375926356 /nfs/dbraw/zinc/92/63/56/375926356.db2.gz YQANXWHAXXTESG-ZIAGYGMSSA-N 2 1 294.468 2.043 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000414701248 375928123 /nfs/dbraw/zinc/92/81/23/375928123.db2.gz GKBGTVNTPSARFA-ILXRZTDVSA-N 2 1 264.417 2.139 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000414701248 375928126 /nfs/dbraw/zinc/92/81/26/375928126.db2.gz GKBGTVNTPSARFA-ILXRZTDVSA-N 2 1 264.417 2.139 20 0 CEADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414701203 375928450 /nfs/dbraw/zinc/92/84/50/375928450.db2.gz UHLPHCXVPLDTJP-KKUMJFAQSA-N 2 1 295.471 2.083 20 0 CEADMP COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414702133 375928492 /nfs/dbraw/zinc/92/84/92/375928492.db2.gz UUNYTBODFMMQDB-YCPHGPKFSA-N 2 1 290.407 2.221 20 0 CEADMP COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414702133 375928499 /nfs/dbraw/zinc/92/84/99/375928499.db2.gz UUNYTBODFMMQDB-YCPHGPKFSA-N 2 1 290.407 2.221 20 0 CEADMP CCN(Cc1ncc(C[NH+](C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000414711281 375936006 /nfs/dbraw/zinc/93/60/06/375936006.db2.gz HNBBQERFKNJCBF-ZDUSSCGKSA-N 2 1 296.484 2.169 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C3CCOCC3)C2)CC[NH2+]1 ZINC000414745613 375946882 /nfs/dbraw/zinc/94/68/82/375946882.db2.gz PRMLSOQSNRNXGG-IJEWVQPXSA-N 2 1 266.429 2.123 20 0 CEADMP COC(=O)[C@H](CC1CCCCC1)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414742857 375946965 /nfs/dbraw/zinc/94/69/65/375946965.db2.gz GKOYOALUUPTWJC-KBMXLJTQSA-N 2 1 296.455 2.476 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000414810860 375996960 /nfs/dbraw/zinc/99/69/60/375996960.db2.gz OUYFTLNMHPQXBD-UHFFFAOYSA-N 2 1 290.455 2.153 20 0 CEADMP c1ccc2c(c1)CCN[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000414965636 376013610 /nfs/dbraw/zinc/01/36/10/376013610.db2.gz ZUSWCZIGSXNNDE-NCXUSEDFSA-N 2 1 299.462 2.384 20 0 CEADMP CC(C)CC(=O)N1CCC([NH2+]CC[NH2+]C(C)(C)C)CC1 ZINC000415077889 376018954 /nfs/dbraw/zinc/01/89/54/376018954.db2.gz FVNKCHWHUNSERY-UHFFFAOYSA-N 2 1 283.460 2.001 20 0 CEADMP COc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1SC ZINC000414797972 375982846 /nfs/dbraw/zinc/98/28/46/375982846.db2.gz PXOXWIFUXVFINJ-LBPRGKRZSA-N 2 1 268.426 2.490 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000414800623 375985488 /nfs/dbraw/zinc/98/54/88/375985488.db2.gz SGVWRPAIJAVGGW-HNNXBMFYSA-N 2 1 272.396 2.458 20 0 CEADMP CCc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000287616584 376276873 /nfs/dbraw/zinc/27/68/73/376276873.db2.gz SSPWYFHOLVGZMJ-KBRIMQKVSA-N 2 1 276.424 2.355 20 0 CEADMP COc1ccncc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000287792879 376316043 /nfs/dbraw/zinc/31/60/43/376316043.db2.gz OACPYAJUBQHDQQ-UKRRQHHQSA-N 2 1 275.396 2.006 20 0 CEADMP CO[C@H](CC(C)C)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000419221458 376399283 /nfs/dbraw/zinc/39/92/83/376399283.db2.gz AQIMKQGMIAMYCY-QGZVFWFLSA-N 2 1 299.503 2.005 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)[C@@H](C)C1 ZINC000305764329 376479054 /nfs/dbraw/zinc/47/90/54/376479054.db2.gz BPUXHZNEDDBRNY-KKUMJFAQSA-N 2 1 270.461 2.349 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000289727176 376464493 /nfs/dbraw/zinc/46/44/93/376464493.db2.gz HGWHTOSETVHVKF-MSOLQXFVSA-N 2 1 288.435 2.149 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000289727176 376464500 /nfs/dbraw/zinc/46/45/00/376464500.db2.gz HGWHTOSETVHVKF-MSOLQXFVSA-N 2 1 288.435 2.149 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000289727176 376464509 /nfs/dbraw/zinc/46/45/09/376464509.db2.gz HGWHTOSETVHVKF-MSOLQXFVSA-N 2 1 288.435 2.149 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000289727176 376464513 /nfs/dbraw/zinc/46/45/13/376464513.db2.gz HGWHTOSETVHVKF-MSOLQXFVSA-N 2 1 288.435 2.149 20 0 CEADMP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)cc(N2CCCC2)n1 ZINC000289729603 376467685 /nfs/dbraw/zinc/46/76/85/376467685.db2.gz GRGCXDVUTVMFKD-UHFFFAOYSA-N 2 1 288.439 2.174 20 0 CEADMP Cc1[nH+]ccc(NCC2=CC[N@@H+](C)CC2)c1Cl ZINC000334335478 206388313 /nfs/dbraw/zinc/38/83/13/206388313.db2.gz QTCGOGFBGLUSMB-UHFFFAOYSA-N 2 1 251.761 2.139 20 0 CEADMP C[C@H](O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309998634 376612245 /nfs/dbraw/zinc/61/22/45/376612245.db2.gz CWLGQNJPTBMXOX-JQHSSLGASA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H](O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309998634 376612254 /nfs/dbraw/zinc/61/22/54/376612254.db2.gz CWLGQNJPTBMXOX-JQHSSLGASA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H](O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309998634 376612262 /nfs/dbraw/zinc/61/22/62/376612262.db2.gz CWLGQNJPTBMXOX-JQHSSLGASA-N 2 1 288.435 2.211 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000311508062 376673086 /nfs/dbraw/zinc/67/30/86/376673086.db2.gz QWZXTJYVZRCTAM-GRYCIOLGSA-N 2 1 280.334 2.028 20 0 CEADMP CCC1(CC)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000311823809 376688855 /nfs/dbraw/zinc/68/88/55/376688855.db2.gz DASZMQIAUGWMOK-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP CCC1(CC)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000311823809 376688861 /nfs/dbraw/zinc/68/88/61/376688861.db2.gz DASZMQIAUGWMOK-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000685470274 542147248 /nfs/dbraw/zinc/14/72/48/542147248.db2.gz CZDBPUCSIKVPFT-CJNGLKHVSA-N 2 1 261.413 2.416 20 0 CEADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000685470274 542147251 /nfs/dbraw/zinc/14/72/51/542147251.db2.gz CZDBPUCSIKVPFT-CJNGLKHVSA-N 2 1 261.413 2.416 20 0 CEADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000685470274 542147254 /nfs/dbraw/zinc/14/72/54/542147254.db2.gz CZDBPUCSIKVPFT-CJNGLKHVSA-N 2 1 261.413 2.416 20 0 CEADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000685470274 542147257 /nfs/dbraw/zinc/14/72/57/542147257.db2.gz CZDBPUCSIKVPFT-CJNGLKHVSA-N 2 1 261.413 2.416 20 0 CEADMP Cc1nc(F)ccc1C[N@@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000290585253 376843858 /nfs/dbraw/zinc/84/38/58/376843858.db2.gz UVWBZBPOEGMVKR-RISCZKNCSA-N 2 1 265.376 2.301 20 0 CEADMP Cc1nc(F)ccc1C[N@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000290585253 376843860 /nfs/dbraw/zinc/84/38/60/376843860.db2.gz UVWBZBPOEGMVKR-RISCZKNCSA-N 2 1 265.376 2.301 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc4nccn43)C2)CC1 ZINC000290586712 376844423 /nfs/dbraw/zinc/84/44/23/376844423.db2.gz UYSFLKVJNVNAET-INIZCTEOSA-N 3 1 298.434 2.498 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000562093005 376845323 /nfs/dbraw/zinc/84/53/23/376845323.db2.gz UBIFZOWRHXWDDI-BZUAXINKSA-N 2 1 269.477 2.427 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000562093005 376845328 /nfs/dbraw/zinc/84/53/28/376845328.db2.gz UBIFZOWRHXWDDI-BZUAXINKSA-N 2 1 269.477 2.427 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000562093005 376845334 /nfs/dbraw/zinc/84/53/34/376845334.db2.gz UBIFZOWRHXWDDI-BZUAXINKSA-N 2 1 269.477 2.427 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H]1CCOC1(C)C)[NH+]1CCCC1 ZINC000328403728 376850137 /nfs/dbraw/zinc/85/01/37/376850137.db2.gz SKTMSIPSQFQKHI-KGLIPLIRSA-N 2 1 254.418 2.264 20 0 CEADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(CO)o1 ZINC000290629074 376857894 /nfs/dbraw/zinc/85/78/94/376857894.db2.gz XWTJXJHSPFFGAM-UHFFFAOYSA-N 2 1 291.395 2.443 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(CO)o1 ZINC000290629074 376857903 /nfs/dbraw/zinc/85/79/03/376857903.db2.gz XWTJXJHSPFFGAM-UHFFFAOYSA-N 2 1 291.395 2.443 20 0 CEADMP CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422979937 376903174 /nfs/dbraw/zinc/90/31/74/376903174.db2.gz NXNCUMRKJXBRIL-SOUVJXGZSA-N 2 1 256.434 2.294 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000422959688 376884914 /nfs/dbraw/zinc/88/49/14/376884914.db2.gz TYAZVXGOORCMOU-GMXVVIOVSA-N 2 1 295.814 2.161 20 0 CEADMP C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1c[nH+]ccc1N ZINC000422961326 376886527 /nfs/dbraw/zinc/88/65/27/376886527.db2.gz BKKMHZGGYDUOSY-FZMZJTMJSA-N 2 1 274.368 2.041 20 0 CEADMP C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000423078652 376971827 /nfs/dbraw/zinc/97/18/27/376971827.db2.gz OWPCSUUBCGXIQY-KBMXLJTQSA-N 2 1 268.445 2.438 20 0 CEADMP CC[C@H](NC[C@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423080733 376975155 /nfs/dbraw/zinc/97/51/55/376975155.db2.gz ZZKKKIDQFYJLAO-PMPSAXMXSA-N 2 1 265.445 2.124 20 0 CEADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@@H]1COc2ccccc21 ZINC000422998757 376917580 /nfs/dbraw/zinc/91/75/80/376917580.db2.gz DFAQUAAHGPOKAP-JURCDPSOSA-N 2 1 260.381 2.281 20 0 CEADMP CC[C@@H](NCC[N@@H+]1CC=C(C)CC1)[C@H]1CCCC[NH2+]1 ZINC000423036045 376943129 /nfs/dbraw/zinc/94/31/29/376943129.db2.gz KPORRKJDPLPRMI-HZPDHXFCSA-N 2 1 265.445 2.149 20 0 CEADMP C[C@@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423057163 376950399 /nfs/dbraw/zinc/95/03/99/376950399.db2.gz ZIZXWVWTAALEEJ-JOCBIADPSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOC(F)(F)F ZINC000423070378 376961009 /nfs/dbraw/zinc/96/10/09/376961009.db2.gz NBPOQSDNHXCWLJ-ZYHUDNBSSA-N 2 1 276.302 2.071 20 0 CEADMP C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423069699 376962310 /nfs/dbraw/zinc/96/23/10/376962310.db2.gz FCTXIBHKUUZABJ-IDCNUPLLSA-N 2 1 290.451 2.346 20 0 CEADMP CC1(C)CCC[N@@H+](CCN[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000423077097 376969916 /nfs/dbraw/zinc/96/99/16/376969916.db2.gz SKUFNKOXYNXQSY-CABCVRRESA-N 2 1 267.461 2.216 20 0 CEADMP CC1(C)CCCN(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000423077097 376969918 /nfs/dbraw/zinc/96/99/18/376969918.db2.gz SKUFNKOXYNXQSY-CABCVRRESA-N 2 1 267.461 2.216 20 0 CEADMP COC[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(Cl)c1 ZINC000423122729 377019559 /nfs/dbraw/zinc/01/95/59/377019559.db2.gz LEAWAUWKRIKRGJ-IINYFYTJSA-N 2 1 268.788 2.225 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)c1ccccn1)[C@H]1CCCC[NH2+]1 ZINC000423143508 377041878 /nfs/dbraw/zinc/04/18/78/377041878.db2.gz DHXFJDDVKOULNZ-UONOGXRCSA-N 2 1 261.413 2.479 20 0 CEADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000423145036 377045294 /nfs/dbraw/zinc/04/52/94/377045294.db2.gz ITSCFDCQEVACIK-MCIONIFRSA-N 2 1 292.448 2.233 20 0 CEADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CCC[NH3+] ZINC000562742953 376992274 /nfs/dbraw/zinc/99/22/74/376992274.db2.gz SNKIPHSWKKGRID-UHFFFAOYSA-N 2 1 272.396 2.270 20 0 CEADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CCC[NH3+] ZINC000562742953 376992280 /nfs/dbraw/zinc/99/22/80/376992280.db2.gz SNKIPHSWKKGRID-UHFFFAOYSA-N 2 1 272.396 2.270 20 0 CEADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423106018 376998348 /nfs/dbraw/zinc/99/83/48/376998348.db2.gz JCUBJNROJMRQCZ-GHMZBOCLSA-N 2 1 280.334 2.076 20 0 CEADMP [NH3+]CC1CCC([NH2+]CCc2ccc3cn[nH]c3c2)CC1 ZINC000423105506 376998379 /nfs/dbraw/zinc/99/83/79/376998379.db2.gz NPWXIMUEDPKFIS-UHFFFAOYSA-N 2 1 272.396 2.213 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423105407 376998634 /nfs/dbraw/zinc/99/86/34/376998634.db2.gz ILWZEMXOQZAWSE-YLFCFFPRSA-N 2 1 279.472 2.371 20 0 CEADMP CCCN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423105407 376998637 /nfs/dbraw/zinc/99/86/37/376998637.db2.gz ILWZEMXOQZAWSE-YLFCFFPRSA-N 2 1 279.472 2.371 20 0 CEADMP CC[C@@H]([NH2+]CCc1cc(C)no1)[C@H]1CCCC[NH2+]1 ZINC000423115504 377010854 /nfs/dbraw/zinc/01/08/54/377010854.db2.gz YBIIAFQKUGFYPA-ZIAGYGMSSA-N 2 1 251.374 2.036 20 0 CEADMP C[NH2+]CCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000423198415 377112320 /nfs/dbraw/zinc/11/23/20/377112320.db2.gz FTQRYLVZCMCOLL-ZDUSSCGKSA-N 2 1 252.333 2.239 20 0 CEADMP C[NH2+]CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423197807 377113338 /nfs/dbraw/zinc/11/33/38/377113338.db2.gz BHESSMIPCGGMFV-BCDXTJNWSA-N 2 1 287.451 2.381 20 0 CEADMP C[NH2+]CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423197807 377113347 /nfs/dbraw/zinc/11/33/47/377113347.db2.gz BHESSMIPCGGMFV-BCDXTJNWSA-N 3 1 287.451 2.381 20 0 CEADMP C[NH2+]CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423197807 377113359 /nfs/dbraw/zinc/11/33/59/377113359.db2.gz BHESSMIPCGGMFV-BCDXTJNWSA-N 3 1 287.451 2.381 20 0 CEADMP C[NH2+]CCC[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000423199302 377115832 /nfs/dbraw/zinc/11/58/32/377115832.db2.gz JPCULOJTHRHMHI-ZDUSSCGKSA-N 2 1 266.410 2.431 20 0 CEADMP C[NH2+]CCCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423201420 377117334 /nfs/dbraw/zinc/11/73/34/377117334.db2.gz OPVHBIZIVVTGEM-NVXWUHKLSA-N 2 1 275.440 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423201420 377117342 /nfs/dbraw/zinc/11/73/42/377117342.db2.gz OPVHBIZIVVTGEM-NVXWUHKLSA-N 3 1 275.440 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423201420 377117347 /nfs/dbraw/zinc/11/73/47/377117347.db2.gz OPVHBIZIVVTGEM-NVXWUHKLSA-N 3 1 275.440 2.096 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]C[C@]1(C)C[C@H]1c1ccccc1)C1CC1 ZINC000562998210 377053862 /nfs/dbraw/zinc/05/38/62/377053862.db2.gz CJNZPDUWDCOSIF-SQNIBIBYSA-N 2 1 288.435 2.225 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@]1(C)C[C@H]1c1ccccc1)C1CC1 ZINC000562998210 377053869 /nfs/dbraw/zinc/05/38/69/377053869.db2.gz CJNZPDUWDCOSIF-SQNIBIBYSA-N 2 1 288.435 2.225 20 0 CEADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423205585 377122622 /nfs/dbraw/zinc/12/26/22/377122622.db2.gz CCRKFEHHSSLIFK-GHMZBOCLSA-N 2 1 254.324 2.237 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423165233 377069054 /nfs/dbraw/zinc/06/90/54/377069054.db2.gz AWYOLEHHLNMTIJ-KBRIMQKVSA-N 3 1 273.424 2.453 20 0 CEADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)C1 ZINC000423165233 377069056 /nfs/dbraw/zinc/06/90/56/377069056.db2.gz AWYOLEHHLNMTIJ-KBRIMQKVSA-N 2 1 273.424 2.453 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)C1 ZINC000423165233 377069058 /nfs/dbraw/zinc/06/90/58/377069058.db2.gz AWYOLEHHLNMTIJ-KBRIMQKVSA-N 2 1 273.424 2.453 20 0 CEADMP C[C@@H]([C@@H]1CCC[NH2+]1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000423166697 377071519 /nfs/dbraw/zinc/07/15/19/377071519.db2.gz VUTPNOWDHABXBW-IHRRRGAJSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@@H]([C@@H]1CCC[NH2+]1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000423166697 377071521 /nfs/dbraw/zinc/07/15/21/377071521.db2.gz VUTPNOWDHABXBW-IHRRRGAJSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423173630 377082750 /nfs/dbraw/zinc/08/27/50/377082750.db2.gz ZLVGNSOBXZDMTK-RYQLBKOJSA-N 3 1 289.467 2.266 20 0 CEADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423173630 377082757 /nfs/dbraw/zinc/08/27/57/377082757.db2.gz ZLVGNSOBXZDMTK-RYQLBKOJSA-N 2 1 289.467 2.266 20 0 CEADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423173630 377082767 /nfs/dbraw/zinc/08/27/67/377082767.db2.gz ZLVGNSOBXZDMTK-RYQLBKOJSA-N 2 1 289.467 2.266 20 0 CEADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC[NH3+])cc1F ZINC000423183038 377094223 /nfs/dbraw/zinc/09/42/23/377094223.db2.gz KWTMZQCGCNIRQP-GXTWGEPZSA-N 2 1 266.360 2.409 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)C12CCC2 ZINC000423272543 377195269 /nfs/dbraw/zinc/19/52/69/377195269.db2.gz ZCBSESXWPSTPEH-MGPQQGTHSA-N 2 1 254.418 2.297 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000423273115 377195580 /nfs/dbraw/zinc/19/55/80/377195580.db2.gz ZVTASOUBMVZHCE-KBPBESRZSA-N 2 1 287.411 2.291 20 0 CEADMP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1OC ZINC000423239068 377157462 /nfs/dbraw/zinc/15/74/62/377157462.db2.gz RSYJMQVMOKGSDB-DZGCQCFKSA-N 2 1 292.423 2.285 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000423243698 377164259 /nfs/dbraw/zinc/16/42/59/377164259.db2.gz WYEFEANABYSSHN-APHBMKBZSA-N 2 1 262.397 2.386 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H](C[NH3+])C2CCCCC2)C[N@H+]1C1CC1 ZINC000423262000 377181732 /nfs/dbraw/zinc/18/17/32/377181732.db2.gz LIFPPFRBYCFODN-XNRPHZJLSA-N 2 1 265.445 2.109 20 0 CEADMP CCOC[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000563354719 377183648 /nfs/dbraw/zinc/18/36/48/377183648.db2.gz JUEHGUYDWQQMIA-AWEZNQCLSA-N 2 1 265.401 2.101 20 0 CEADMP CCOC[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000563354719 377183657 /nfs/dbraw/zinc/18/36/57/377183657.db2.gz JUEHGUYDWQQMIA-AWEZNQCLSA-N 2 1 265.401 2.101 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)[C@H]1C ZINC000423265287 377184723 /nfs/dbraw/zinc/18/47/23/377184723.db2.gz QSEJSCIUFUGLHU-TUUVXOQKSA-N 2 1 296.455 2.461 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000423265843 377184986 /nfs/dbraw/zinc/18/49/86/377184986.db2.gz CRADTQNOMIQMOH-RISCZKNCSA-N 2 1 270.804 2.473 20 0 CEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2c(c1)OCCCO2 ZINC000423283006 377210110 /nfs/dbraw/zinc/21/01/10/377210110.db2.gz VPCAKRCRQJTYHB-SMDDNHRTSA-N 2 1 276.380 2.236 20 0 CEADMP C[C@@H]([NH2+][C@H](CN)C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423283455 377212880 /nfs/dbraw/zinc/21/28/80/377212880.db2.gz WEPIZPMPWOQCLC-CXAGYDPISA-N 2 1 291.439 2.015 20 0 CEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423283455 377212887 /nfs/dbraw/zinc/21/28/87/377212887.db2.gz WEPIZPMPWOQCLC-CXAGYDPISA-N 3 1 291.439 2.015 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000423292184 377221887 /nfs/dbraw/zinc/22/18/87/377221887.db2.gz LVUUAZCKFVXOLK-XEZPLFJOSA-N 3 1 261.413 2.279 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000423292184 377221895 /nfs/dbraw/zinc/22/18/95/377221895.db2.gz LVUUAZCKFVXOLK-XEZPLFJOSA-N 2 1 261.413 2.279 20 0 CEADMP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000423292184 377221907 /nfs/dbraw/zinc/22/19/07/377221907.db2.gz LVUUAZCKFVXOLK-XEZPLFJOSA-N 2 1 261.413 2.279 20 0 CEADMP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000423292184 377221916 /nfs/dbraw/zinc/22/19/16/377221916.db2.gz LVUUAZCKFVXOLK-XEZPLFJOSA-N 2 1 261.413 2.279 20 0 CEADMP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])nnn1-c1ccc(C)cc1 ZINC000423294203 377223178 /nfs/dbraw/zinc/22/31/78/377223178.db2.gz BHIUYUAJXZKTTF-QWHCGFSZSA-N 2 1 287.411 2.130 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423298078 377227724 /nfs/dbraw/zinc/22/77/24/377227724.db2.gz NBNJXIFIQDLUHH-DOMZBBRYSA-N 2 1 250.386 2.347 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000423302121 377230664 /nfs/dbraw/zinc/23/06/64/377230664.db2.gz HCKQRACBHFILOS-HOTGVXAUSA-N 3 1 289.467 2.266 20 0 CEADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000423305325 377234414 /nfs/dbraw/zinc/23/44/14/377234414.db2.gz QQZUMSGYXUPRDE-KFWWJZLASA-N 2 1 282.428 2.230 20 0 CEADMP CCC[NH2+]CC[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000423307718 377237147 /nfs/dbraw/zinc/23/71/47/377237147.db2.gz HRMVJJGUXFGNJM-ZIAGYGMSSA-N 2 1 256.434 2.415 20 0 CEADMP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CCC2 ZINC000423307824 377237295 /nfs/dbraw/zinc/23/72/95/377237295.db2.gz WRPWOMJLGQGBMV-LBPRGKRZSA-N 2 1 285.313 2.287 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(F)(F)C[NH3+] ZINC000423323770 377254929 /nfs/dbraw/zinc/25/49/29/377254929.db2.gz KFYTUBQUVJSSII-UKRRQHHQSA-N 2 1 297.393 2.081 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(F)(F)C[NH3+] ZINC000423323770 377254935 /nfs/dbraw/zinc/25/49/35/377254935.db2.gz KFYTUBQUVJSSII-UKRRQHHQSA-N 2 1 297.393 2.081 20 0 CEADMP CC(C)[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000423325978 377256920 /nfs/dbraw/zinc/25/69/20/377256920.db2.gz KHDKTSBZQAYMCK-PMPSAXMXSA-N 2 1 297.487 2.234 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000423276394 377200459 /nfs/dbraw/zinc/20/04/59/377200459.db2.gz OJKSJWIJCWPNIT-TZMCWYRMSA-N 2 1 264.417 2.476 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1OC ZINC000423277217 377202438 /nfs/dbraw/zinc/20/24/38/377202438.db2.gz NXWRCJZBDMKLQU-FZMZJTMJSA-N 2 1 278.396 2.400 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[NH2+]C2CCCCCC2)CCO1 ZINC000423276940 377202833 /nfs/dbraw/zinc/20/28/33/377202833.db2.gz NPTGBEZJUOGESY-UKRRQHHQSA-N 2 1 254.418 2.456 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000423278173 377205534 /nfs/dbraw/zinc/20/55/34/377205534.db2.gz QRFJHANCIZRDMN-NWDGAFQWSA-N 2 1 293.411 2.160 20 0 CEADMP CC1CC[NH+](CC(=O)Nc2ccccc2C[NH+](C)C)CC1 ZINC000564268039 377364526 /nfs/dbraw/zinc/36/45/26/377364526.db2.gz AJEJOIYAXHWLLV-UHFFFAOYSA-N 2 1 289.423 2.419 20 0 CEADMP Cc1ccncc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292973627 377377136 /nfs/dbraw/zinc/37/71/36/377377136.db2.gz MLZZIDFWAWGDFB-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ccncc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292973627 377377144 /nfs/dbraw/zinc/37/71/44/377377144.db2.gz MLZZIDFWAWGDFB-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ccncc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292973627 377377149 /nfs/dbraw/zinc/37/71/49/377377149.db2.gz MLZZIDFWAWGDFB-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ccncc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292973627 377377153 /nfs/dbraw/zinc/37/71/53/377377153.db2.gz MLZZIDFWAWGDFB-MRXNPFEDSA-N 2 1 259.397 2.308 20 0 CEADMP COC1(CC[NH2+]Cc2c[nH+]ccc2N(C)C)CCC1 ZINC000292983196 377381931 /nfs/dbraw/zinc/38/19/31/377381931.db2.gz NHIFGDZXXHIFRQ-UHFFFAOYSA-N 2 1 263.385 2.196 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000425923995 377386750 /nfs/dbraw/zinc/38/67/50/377386750.db2.gz VBKLNNSXFQXMDF-DZGCQCFKSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000425923995 377386758 /nfs/dbraw/zinc/38/67/58/377386758.db2.gz VBKLNNSXFQXMDF-DZGCQCFKSA-N 2 1 265.401 2.065 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000264949935 190147272 /nfs/dbraw/zinc/14/72/72/190147272.db2.gz BDTMTMOQNSVVBT-CYBMUJFWSA-N 2 1 293.386 2.038 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000564085316 377344244 /nfs/dbraw/zinc/34/42/44/377344244.db2.gz KWSQHHXCZHVFNK-KFWWJZLASA-N 2 1 295.471 2.286 20 0 CEADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1C ZINC000564740376 377445817 /nfs/dbraw/zinc/44/58/17/377445817.db2.gz NUFWNTNYGGJBQA-QGZVFWFLSA-N 2 1 298.434 2.340 20 0 CEADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000564740376 377445820 /nfs/dbraw/zinc/44/58/20/377445820.db2.gz NUFWNTNYGGJBQA-QGZVFWFLSA-N 2 1 298.434 2.340 20 0 CEADMP COc1ccc2c(c1)CCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000564526988 377401480 /nfs/dbraw/zinc/40/14/80/377401480.db2.gz HPMLHRMEMQIGSY-UHFFFAOYSA-N 2 1 274.408 2.443 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCc3ccncc3)C2)C1 ZINC000429001256 377505888 /nfs/dbraw/zinc/50/58/88/377505888.db2.gz UMVBOCQVLUTMJL-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCc3ccncc3)C2)C1 ZINC000429001256 377505895 /nfs/dbraw/zinc/50/58/95/377505895.db2.gz UMVBOCQVLUTMJL-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCc3ccncc3)C2)C1 ZINC000429001256 377505905 /nfs/dbraw/zinc/50/59/05/377505905.db2.gz UMVBOCQVLUTMJL-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000564948987 377512723 /nfs/dbraw/zinc/51/27/23/377512723.db2.gz RYIJSJPYCLQLFC-JYJNAYRXSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@H](CC(=O)Nc1cc[nH+]c(N(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000431006669 377585663 /nfs/dbraw/zinc/58/56/63/377585663.db2.gz ZLLVKHGSIOPOEH-OLZOCXBDSA-N 2 1 290.411 2.112 20 0 CEADMP CCC[N@H+](CC(=O)NCC1CCCCC1)C1CC[NH2+]CC1 ZINC000431089920 377597229 /nfs/dbraw/zinc/59/72/29/377597229.db2.gz WPRXEXULLIKGKY-UHFFFAOYSA-N 2 1 295.471 2.147 20 0 CEADMP CCC[N@@H+](CC(=O)NCC1CCCCC1)C1CC[NH2+]CC1 ZINC000431089920 377597239 /nfs/dbraw/zinc/59/72/39/377597239.db2.gz WPRXEXULLIKGKY-UHFFFAOYSA-N 2 1 295.471 2.147 20 0 CEADMP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166751251 542211594 /nfs/dbraw/zinc/21/15/94/542211594.db2.gz HEYWJPWPFUTIBD-LSDHHAIUSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCOCC2CCCC2)CC[N@H+]1C ZINC000313252963 249392057 /nfs/dbraw/zinc/39/20/57/249392057.db2.gz MFYQVYZAHUBAPM-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1ccncc1C ZINC000566170145 377738023 /nfs/dbraw/zinc/73/80/23/377738023.db2.gz LFFDXPASSTWIDM-UHFFFAOYSA-N 2 1 272.396 2.460 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1ccncc1C ZINC000566170145 377738025 /nfs/dbraw/zinc/73/80/25/377738025.db2.gz LFFDXPASSTWIDM-UHFFFAOYSA-N 2 1 272.396 2.460 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000432417573 377758663 /nfs/dbraw/zinc/75/86/63/377758663.db2.gz WHDSWDRJXIVJQK-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CC1 ZINC000432417573 377758668 /nfs/dbraw/zinc/75/86/68/377758668.db2.gz WHDSWDRJXIVJQK-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CC[C@@H]2CCOC2)CC1 ZINC000437588556 377855186 /nfs/dbraw/zinc/85/51/86/377855186.db2.gz JEGYJCVHSQDTDM-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442881611 378013605 /nfs/dbraw/zinc/01/36/05/378013605.db2.gz ZZIKXRJLATWCSD-HOTGVXAUSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442765282 377993938 /nfs/dbraw/zinc/99/39/38/377993938.db2.gz MABOVHIGLDCKRS-AGIUHOORSA-N 2 1 286.379 2.467 20 0 CEADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442765282 377993946 /nfs/dbraw/zinc/99/39/46/377993946.db2.gz MABOVHIGLDCKRS-AGIUHOORSA-N 2 1 286.379 2.467 20 0 CEADMP Cc1cccc2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cn21 ZINC000443078235 378035414 /nfs/dbraw/zinc/03/54/14/378035414.db2.gz WENZNDBDNZRCGD-CQSZACIVSA-N 2 1 272.396 2.204 20 0 CEADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccsc1 ZINC000443086186 378035741 /nfs/dbraw/zinc/03/57/41/378035741.db2.gz NEQMJXAYIHCVCE-UONOGXRCSA-N 2 1 268.426 2.246 20 0 CEADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccsc1 ZINC000443086186 378035744 /nfs/dbraw/zinc/03/57/44/378035744.db2.gz NEQMJXAYIHCVCE-UONOGXRCSA-N 2 1 268.426 2.246 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH+]2C2CC2)CC[N@H+]1C ZINC000447590509 378122823 /nfs/dbraw/zinc/12/28/23/378122823.db2.gz CYLHMMBZKUVRKA-IIAWOOMASA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1C ZINC000447590509 378122825 /nfs/dbraw/zinc/12/28/25/378122825.db2.gz CYLHMMBZKUVRKA-IIAWOOMASA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[N@H+]2C2CC2)CC[NH+]1C ZINC000447590509 378122830 /nfs/dbraw/zinc/12/28/30/378122830.db2.gz CYLHMMBZKUVRKA-IIAWOOMASA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2C2CC2)CC[N@@H+]1C ZINC000447590509 378122835 /nfs/dbraw/zinc/12/28/35/378122835.db2.gz CYLHMMBZKUVRKA-IIAWOOMASA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2C2CC2)CC[N@H+]1C ZINC000447590509 378122839 /nfs/dbraw/zinc/12/28/39/378122839.db2.gz CYLHMMBZKUVRKA-IIAWOOMASA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449337575 378203037 /nfs/dbraw/zinc/20/30/37/378203037.db2.gz QCYMVENAIRUYCB-UGUYLWEFSA-N 2 1 295.471 2.131 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC[NH+]2CCCC2(C)C)[C@@H](C)C1 ZINC000449780189 378230704 /nfs/dbraw/zinc/23/07/04/378230704.db2.gz FPCHLFFKAFSZOH-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@@H+]2CCCC2(C)C)[C@@H](C)C1 ZINC000449780189 378230710 /nfs/dbraw/zinc/23/07/10/378230710.db2.gz FPCHLFFKAFSZOH-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@@H](NCC[N@H+]2CCCC2(C)C)[C@@H](C)C1 ZINC000449780189 378230714 /nfs/dbraw/zinc/23/07/14/378230714.db2.gz FPCHLFFKAFSZOH-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1cnccc1CNC1CC[NH+](CCOC(C)C)CC1 ZINC000295610579 378235635 /nfs/dbraw/zinc/23/56/35/378235635.db2.gz GGWNHCRJKXJMFK-UHFFFAOYSA-N 2 1 291.439 2.369 20 0 CEADMP Cc1cnccc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000295610579 378235640 /nfs/dbraw/zinc/23/56/40/378235640.db2.gz GGWNHCRJKXJMFK-UHFFFAOYSA-N 2 1 291.439 2.369 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000295822744 378318044 /nfs/dbraw/zinc/31/80/44/378318044.db2.gz BYRCGVITTICSKM-MXASKKJJSA-N 2 1 274.408 2.010 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000295822744 378318049 /nfs/dbraw/zinc/31/80/49/378318049.db2.gz BYRCGVITTICSKM-MXASKKJJSA-N 2 1 274.408 2.010 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000346277988 217859944 /nfs/dbraw/zinc/85/99/44/217859944.db2.gz NQURAZCJQUBQRN-XJKSGUPXSA-N 2 1 279.428 2.358 20 0 CEADMP C[N@H+](C[C@@H](O)c1ccccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000266089139 190229666 /nfs/dbraw/zinc/22/96/66/190229666.db2.gz ZBKNAJKGIXZBQS-XJKSGUPXSA-N 2 1 280.387 2.133 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000266089139 190229667 /nfs/dbraw/zinc/22/96/67/190229667.db2.gz ZBKNAJKGIXZBQS-XJKSGUPXSA-N 2 1 280.387 2.133 20 0 CEADMP C[NH+](C[C@@H](O)c1ccccc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000266089139 190229668 /nfs/dbraw/zinc/22/96/68/190229668.db2.gz ZBKNAJKGIXZBQS-XJKSGUPXSA-N 2 1 280.387 2.133 20 0 CEADMP C[NH+](C[C@@H](O)c1ccccc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000266089139 190229669 /nfs/dbraw/zinc/22/96/69/190229669.db2.gz ZBKNAJKGIXZBQS-XJKSGUPXSA-N 2 1 280.387 2.133 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@H](C[NH+](C)C)C1 ZINC000450410935 378402230 /nfs/dbraw/zinc/40/22/30/378402230.db2.gz ZQYSJPFYUASDFW-CVEARBPZSA-N 2 1 267.461 2.133 20 0 CEADMP CCC[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000295963475 378372127 /nfs/dbraw/zinc/37/21/27/378372127.db2.gz JSAZTUMJNQDORM-KSZLIROESA-N 2 1 288.435 2.211 20 0 CEADMP CCC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000295963475 378372132 /nfs/dbraw/zinc/37/21/32/378372132.db2.gz JSAZTUMJNQDORM-KSZLIROESA-N 2 1 288.435 2.211 20 0 CEADMP Cc1cnccc1CN1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000295978213 378378201 /nfs/dbraw/zinc/37/82/01/378378201.db2.gz JDHFTFXJBUOLRJ-JKSUJKDBSA-N 2 1 259.397 2.306 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000450458600 378429719 /nfs/dbraw/zinc/42/97/19/378429719.db2.gz YLLVFDGYQSYSBJ-CQSZACIVSA-N 2 1 290.398 2.464 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000450474704 378437580 /nfs/dbraw/zinc/43/75/80/378437580.db2.gz RPJQZQXPMLJREJ-SOLBZPMBSA-N 2 1 290.451 2.425 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000450474704 378437588 /nfs/dbraw/zinc/43/75/88/378437588.db2.gz RPJQZQXPMLJREJ-SOLBZPMBSA-N 2 1 290.451 2.425 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000450474704 378437592 /nfs/dbraw/zinc/43/75/92/378437592.db2.gz RPJQZQXPMLJREJ-SOLBZPMBSA-N 2 1 290.451 2.425 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC1=CCCCC1 ZINC000450632648 378509024 /nfs/dbraw/zinc/50/90/24/378509024.db2.gz RBHUSVKIHVDCCU-UHFFFAOYSA-N 2 1 265.445 2.056 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC1=CCCCC1 ZINC000450632980 378510136 /nfs/dbraw/zinc/51/01/36/378510136.db2.gz VBRYKJRDJUJTCU-UHFFFAOYSA-N 2 1 279.472 2.446 20 0 CEADMP Cc1nccn1CCCC[N@H+](C(C)C)C1COC1 ZINC000451119948 378713196 /nfs/dbraw/zinc/71/31/96/378713196.db2.gz IKEWDQNOQLCNOF-UHFFFAOYSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C(C)C)C1COC1 ZINC000451119948 378713210 /nfs/dbraw/zinc/71/32/10/378713210.db2.gz IKEWDQNOQLCNOF-UHFFFAOYSA-N 2 1 251.374 2.081 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453076726 378795522 /nfs/dbraw/zinc/79/55/22/378795522.db2.gz JQLSEZZYQQIKJZ-OAHLLOKOSA-N 2 1 254.418 2.123 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C)n1 ZINC000346842551 218031798 /nfs/dbraw/zinc/03/17/98/218031798.db2.gz IGEGVIHUKIZNHK-NUEKZKHPSA-N 2 1 289.423 2.266 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](Cn2cccn2)C(C)C)C1 ZINC000453103916 378804931 /nfs/dbraw/zinc/80/49/31/378804931.db2.gz XXSNJIADKOEIQW-CVEARBPZSA-N 2 1 278.444 2.229 20 0 CEADMP C[C@H](Cc1cnccn1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000453112510 378807805 /nfs/dbraw/zinc/80/78/05/378807805.db2.gz DCHBEJUQDZKRMJ-ZBFHGGJFSA-N 2 1 288.439 2.262 20 0 CEADMP C[C@H](Cc1cnccn1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000453112510 378807815 /nfs/dbraw/zinc/80/78/15/378807815.db2.gz DCHBEJUQDZKRMJ-ZBFHGGJFSA-N 2 1 288.439 2.262 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)C[C@H]12 ZINC000346821601 218024080 /nfs/dbraw/zinc/02/40/80/218024080.db2.gz IWRNZPHYFNWUCL-AEGPPILISA-N 2 1 296.361 2.500 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2c1 ZINC000346821915 218025654 /nfs/dbraw/zinc/02/56/54/218025654.db2.gz DTJSTIQIJSSYCR-IMJJTQAJSA-N 2 1 284.407 2.202 20 0 CEADMP Cc1ccn2c(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cnc2c1 ZINC000346850099 218035981 /nfs/dbraw/zinc/03/59/81/218035981.db2.gz PJZCDFWHBPMGLQ-BPUTZDHNSA-N 2 1 284.407 2.202 20 0 CEADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)[NH3+] ZINC000346855213 218038611 /nfs/dbraw/zinc/03/86/11/218038611.db2.gz ZNROSCWHCSFSRM-INIZCTEOSA-N 2 1 275.440 2.178 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@@H]1C ZINC000453397760 378887012 /nfs/dbraw/zinc/88/70/12/378887012.db2.gz JWPNRCXEJPDREI-YCPHGPKFSA-N 2 1 296.455 2.428 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)s1 ZINC000453583738 378912076 /nfs/dbraw/zinc/91/20/76/378912076.db2.gz PLPYKRPQNKGSOE-GFCCVEGCSA-N 2 1 297.468 2.500 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000346998521 218085631 /nfs/dbraw/zinc/08/56/31/218085631.db2.gz DBTLPWKZGZUMAK-TZMCWYRMSA-N 2 1 278.396 2.263 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OC ZINC000346998521 218085632 /nfs/dbraw/zinc/08/56/32/218085632.db2.gz DBTLPWKZGZUMAK-TZMCWYRMSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000347037649 218100405 /nfs/dbraw/zinc/10/04/05/218100405.db2.gz HPWWPXJSIMERNB-JSGCOSHPSA-N 2 1 264.417 2.197 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000347037649 218100406 /nfs/dbraw/zinc/10/04/06/218100406.db2.gz HPWWPXJSIMERNB-JSGCOSHPSA-N 2 1 264.417 2.197 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000347078727 218116239 /nfs/dbraw/zinc/11/62/39/218116239.db2.gz WJEPIRRVZMXHCP-LBPRGKRZSA-N 2 1 288.370 2.257 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000347078727 218116241 /nfs/dbraw/zinc/11/62/41/218116241.db2.gz WJEPIRRVZMXHCP-LBPRGKRZSA-N 2 1 288.370 2.257 20 0 CEADMP COCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000347088502 218118043 /nfs/dbraw/zinc/11/80/43/218118043.db2.gz FEPWTOHRSPKVJC-ZBFHGGJFSA-N 2 1 292.423 2.271 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000347096851 218119498 /nfs/dbraw/zinc/11/94/98/218119498.db2.gz IKKNOIHNSSZXDK-GFCCVEGCSA-N 2 1 270.323 2.329 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000347096851 218119499 /nfs/dbraw/zinc/11/94/99/218119499.db2.gz IKKNOIHNSSZXDK-GFCCVEGCSA-N 2 1 270.323 2.329 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000347096079 218120123 /nfs/dbraw/zinc/12/01/23/218120123.db2.gz IBEHYIFLVUYZJJ-MRXNPFEDSA-N 2 1 297.402 2.441 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000347113216 218125728 /nfs/dbraw/zinc/12/57/28/218125728.db2.gz QXBWZTIDGMOKEA-JTQLQIEISA-N 2 1 276.409 2.054 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000347113216 218125730 /nfs/dbraw/zinc/12/57/30/218125730.db2.gz QXBWZTIDGMOKEA-JTQLQIEISA-N 2 1 276.409 2.054 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000347067318 218111821 /nfs/dbraw/zinc/11/18/21/218111821.db2.gz MHXZHWSAAKKRJN-CHWSQXEVSA-N 2 1 276.380 2.017 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000347067318 218111822 /nfs/dbraw/zinc/11/18/22/218111822.db2.gz MHXZHWSAAKKRJN-CHWSQXEVSA-N 2 1 276.380 2.017 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC000347258517 218172704 /nfs/dbraw/zinc/17/27/04/218172704.db2.gz MHEDOIORFZMISQ-AWEZNQCLSA-N 2 1 297.468 2.384 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000347409029 218225069 /nfs/dbraw/zinc/22/50/69/218225069.db2.gz BJNZPEGKRIQCEY-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@@H]1CCCCO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000347409029 218225072 /nfs/dbraw/zinc/22/50/72/218225072.db2.gz BJNZPEGKRIQCEY-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@@H]1CCCCO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000347409029 218225075 /nfs/dbraw/zinc/22/50/75/218225075.db2.gz BJNZPEGKRIQCEY-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000300220631 379157216 /nfs/dbraw/zinc/15/72/16/379157216.db2.gz FXJAHUBVMXAXAM-AAVRWANBSA-N 2 1 299.459 2.218 20 0 CEADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000515668989 379237115 /nfs/dbraw/zinc/23/71/15/379237115.db2.gz SUJHVTRQBUXCBP-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000515668989 379237126 /nfs/dbraw/zinc/23/71/26/379237126.db2.gz SUJHVTRQBUXCBP-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccnc(OC)c2)C1 ZINC000515500443 379227590 /nfs/dbraw/zinc/22/75/90/379227590.db2.gz VWLKHMTUDODIEJ-KBPBESRZSA-N 2 1 277.412 2.473 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccnc(OC)c2)C1 ZINC000515500443 379227595 /nfs/dbraw/zinc/22/75/95/379227595.db2.gz VWLKHMTUDODIEJ-KBPBESRZSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(C)n1 ZINC000278931849 194216756 /nfs/dbraw/zinc/21/67/56/194216756.db2.gz JFNKULQVEXHXCK-FZMZJTMJSA-N 2 1 285.395 2.203 20 0 CEADMP CCC[C@H](O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000518689787 379400518 /nfs/dbraw/zinc/40/05/18/379400518.db2.gz YPYOYHBNGKPYGM-HNNXBMFYSA-N 2 1 256.434 2.200 20 0 CEADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000520610070 379495723 /nfs/dbraw/zinc/49/57/23/379495723.db2.gz PUNHFRKEHOWVQR-ZACQAIPSSA-N 2 1 275.440 2.457 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]CCC[NH2+]C(C)C)c(C)n1 ZINC000521992984 379552493 /nfs/dbraw/zinc/55/24/93/379552493.db2.gz IMBSFVSXTFONBI-NSHDSACASA-N 2 1 250.390 2.132 20 0 CEADMP CC(C)C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1 ZINC000304705761 379592991 /nfs/dbraw/zinc/59/29/91/379592991.db2.gz KPFOYCILEYVGAC-CVEARBPZSA-N 2 1 264.413 2.286 20 0 CEADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000267181241 190309169 /nfs/dbraw/zinc/30/91/69/190309169.db2.gz YSIVBYRCBCBPMM-OAHLLOKOSA-N 2 1 275.396 2.089 20 0 CEADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000267181241 190309170 /nfs/dbraw/zinc/30/91/70/190309170.db2.gz YSIVBYRCBCBPMM-OAHLLOKOSA-N 2 1 275.396 2.089 20 0 CEADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000526062337 379697577 /nfs/dbraw/zinc/69/75/77/379697577.db2.gz NVYAMLWUYVAOKO-OAHLLOKOSA-N 2 1 289.423 2.419 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(CC)(CC)CCO)[C@@H](C)C1 ZINC000305174539 379670766 /nfs/dbraw/zinc/67/07/66/379670766.db2.gz VBRWWXXDZBIBIX-GJZGRUSLSA-N 2 1 270.461 2.495 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305282251 379701766 /nfs/dbraw/zinc/70/17/66/379701766.db2.gz CEWVOWYGVJKWKE-ARFHVFGLSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccn1 ZINC000527648999 379785016 /nfs/dbraw/zinc/78/50/16/379785016.db2.gz MFKOXWWATIYCTD-UHFFFAOYSA-N 2 1 259.397 2.497 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528763094 380084659 /nfs/dbraw/zinc/08/46/59/380084659.db2.gz MGRDPHLVAWPAGC-XFMPKHEZSA-N 2 1 265.401 2.373 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CS1 ZINC000488444231 380094197 /nfs/dbraw/zinc/09/41/97/380094197.db2.gz CPIYIBVXSSZUQS-KBPBESRZSA-N 2 1 254.443 2.368 20 0 CEADMP CC(C)C[N@@H+]1CC[C@@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000268285361 190392871 /nfs/dbraw/zinc/39/28/71/190392871.db2.gz XGEQKTLNXDSSCS-LBPRGKRZSA-N 2 1 273.384 2.348 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000268285361 190392872 /nfs/dbraw/zinc/39/28/72/190392872.db2.gz XGEQKTLNXDSSCS-LBPRGKRZSA-N 2 1 273.384 2.348 20 0 CEADMP COCC1(C[NH2+]C2CC[NH+](C)CC2)CCCCC1 ZINC000353073888 284820851 /nfs/dbraw/zinc/82/08/51/284820851.db2.gz QOMHPZRZQGSBMU-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H](O)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000542812029 380314294 /nfs/dbraw/zinc/31/42/94/380314294.db2.gz RTMKDOKDMLPUFN-NRSFXHEJSA-N 2 1 288.435 2.258 20 0 CEADMP C[NH+](C)CCCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548065266 380483379 /nfs/dbraw/zinc/48/33/79/380483379.db2.gz SIBBSCZIBPTBIA-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+](CC)C[C@H]1C ZINC000552100190 380684476 /nfs/dbraw/zinc/68/44/76/380684476.db2.gz BGXCTKIRYGIHOX-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000552100190 380684480 /nfs/dbraw/zinc/68/44/80/380684480.db2.gz BGXCTKIRYGIHOX-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000552100190 380684484 /nfs/dbraw/zinc/68/44/84/380684484.db2.gz BGXCTKIRYGIHOX-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@@H+](CC(=O)Nc1ccccc1C[NH+](C)C)C1CC1 ZINC000551893386 380659948 /nfs/dbraw/zinc/65/99/48/380659948.db2.gz XUBLLIBIRLCNBK-UHFFFAOYSA-N 2 1 275.396 2.171 20 0 CEADMP Cn1cncc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556177822 380879194 /nfs/dbraw/zinc/87/91/94/380879194.db2.gz NSCWGPDAEXWXAZ-AEFFLSMTSA-N 2 1 298.434 2.388 20 0 CEADMP Cn1cncc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556177822 380879203 /nfs/dbraw/zinc/87/92/03/380879203.db2.gz NSCWGPDAEXWXAZ-AEFFLSMTSA-N 2 1 298.434 2.388 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccco1 ZINC000289431510 197344171 /nfs/dbraw/zinc/34/41/71/197344171.db2.gz KUZKBCTVFNJUHH-OAHLLOKOSA-N 2 1 279.428 2.128 20 0 CEADMP Cc1cccnc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335276515 208084326 /nfs/dbraw/zinc/08/43/26/208084326.db2.gz FDVCMXMYYQEWPR-AWEZNQCLSA-N 2 1 259.397 2.354 20 0 CEADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCCCC1 ZINC000336787661 285081459 /nfs/dbraw/zinc/08/14/59/285081459.db2.gz FNJUYFHHCJOWGE-OAHLLOKOSA-N 2 1 254.418 2.096 20 0 CEADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CCCCC1 ZINC000336787661 285081460 /nfs/dbraw/zinc/08/14/60/285081460.db2.gz FNJUYFHHCJOWGE-OAHLLOKOSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000336787661 285081461 /nfs/dbraw/zinc/08/14/61/285081461.db2.gz FNJUYFHHCJOWGE-OAHLLOKOSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCCCC1 ZINC000336787661 285081463 /nfs/dbraw/zinc/08/14/63/285081463.db2.gz FNJUYFHHCJOWGE-OAHLLOKOSA-N 2 1 254.418 2.096 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCCc2cnccc2C)CC1 ZINC000289227839 197268965 /nfs/dbraw/zinc/26/89/65/197268965.db2.gz JWSGESKWBPMOFN-UHFFFAOYSA-N 2 1 291.439 2.023 20 0 CEADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000305729007 285337381 /nfs/dbraw/zinc/33/73/81/285337381.db2.gz SUEKFKTXCXTLDW-ZWKOTPCHSA-N 2 1 286.419 2.205 20 0 CEADMP COC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119693549 285353976 /nfs/dbraw/zinc/35/39/76/285353976.db2.gz KCESAWAUXOFDCE-BFHYXJOUSA-N 2 1 254.418 2.264 20 0 CEADMP COC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248399726 285354213 /nfs/dbraw/zinc/35/42/13/285354213.db2.gz KCESAWAUXOFDCE-MJBXVCDLSA-N 2 1 254.418 2.264 20 0 CEADMP CCC[NH+]1CCC(N(C)c2[nH+]cnc3[nH]ccc32)CC1 ZINC000263793269 131332580 /nfs/dbraw/zinc/33/25/80/131332580.db2.gz OFLHNIKLANHUEK-UHFFFAOYSA-N 2 1 273.384 2.269 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000355432562 394451639 /nfs/dbraw/zinc/45/16/39/394451639.db2.gz KPEZEBPVTSUFMD-ZNMIVQPWSA-N 2 1 283.460 2.094 20 0 CEADMP C[C@@H](CC[NH3+])[NH2+]Cc1sccc1Br ZINC000220518346 394461249 /nfs/dbraw/zinc/46/12/49/394461249.db2.gz YBCQMEXFIMXIKO-ZETCQYMHSA-N 2 1 263.204 2.338 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)C1CC(OC(C)(C)C)C1 ZINC000421018971 394466707 /nfs/dbraw/zinc/46/67/07/394466707.db2.gz XRCKQSJTNKXLLF-UHFFFAOYSA-N 2 1 265.401 2.469 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)C1CC(OC(C)(C)C)C1 ZINC000421018971 394466708 /nfs/dbraw/zinc/46/67/08/394466708.db2.gz XRCKQSJTNKXLLF-UHFFFAOYSA-N 2 1 265.401 2.469 20 0 CEADMP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000305101245 394492456 /nfs/dbraw/zinc/49/24/56/394492456.db2.gz BJZQBORORUASQU-AEGPPILISA-N 2 1 256.434 2.103 20 0 CEADMP C[NH+](CCC[N@H+](C)[C@H]1CCSC1)[C@H]1CCSC1 ZINC000245740936 394504748 /nfs/dbraw/zinc/50/47/48/394504748.db2.gz DXKRJQIVYBPUKF-STQMWFEESA-N 2 1 274.499 2.251 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000305734320 394510661 /nfs/dbraw/zinc/51/06/61/394510661.db2.gz WJHAFRNNCFRIOT-QGTPRVQTSA-N 2 1 288.435 2.308 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)N(C)C)C1 ZINC000356584207 394580435 /nfs/dbraw/zinc/58/04/35/394580435.db2.gz WQJJBTQBPYAKIU-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)N(C)C)C1 ZINC000356584207 394580441 /nfs/dbraw/zinc/58/04/41/394580441.db2.gz WQJJBTQBPYAKIU-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 ZINC000356584207 394580445 /nfs/dbraw/zinc/58/04/45/394580445.db2.gz WQJJBTQBPYAKIU-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC000246880286 394522722 /nfs/dbraw/zinc/52/27/22/394522722.db2.gz IJUSFBQWKJJMCD-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000246880286 394522729 /nfs/dbraw/zinc/52/27/29/394522729.db2.gz IJUSFBQWKJJMCD-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000246880286 394522735 /nfs/dbraw/zinc/52/27/35/394522735.db2.gz IJUSFBQWKJJMCD-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2cccn2)CC[N@@H+]1C ZINC000246926876 394523596 /nfs/dbraw/zinc/52/35/96/394523596.db2.gz GHLOKCRZMXGSRB-WCVJEAGWSA-N 2 1 276.428 2.439 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2cccn2)CC[N@H+]1C ZINC000246926876 394523599 /nfs/dbraw/zinc/52/35/99/394523599.db2.gz GHLOKCRZMXGSRB-WCVJEAGWSA-N 2 1 276.428 2.439 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000355793827 394533551 /nfs/dbraw/zinc/53/35/51/394533551.db2.gz ASBKOHNPBJIIET-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CC1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000090715000 394655928 /nfs/dbraw/zinc/65/59/28/394655928.db2.gz SSBDXWUQCBNUGA-NEXFUWMNSA-N 2 1 252.402 2.018 20 0 CEADMP CC1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000090715000 394655930 /nfs/dbraw/zinc/65/59/30/394655930.db2.gz SSBDXWUQCBNUGA-NEXFUWMNSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257704479 394596666 /nfs/dbraw/zinc/59/66/66/394596666.db2.gz QVJIAPAXWROPFR-ZDUSSCGKSA-N 2 1 251.399 2.027 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257704479 394596670 /nfs/dbraw/zinc/59/66/70/394596670.db2.gz QVJIAPAXWROPFR-ZDUSSCGKSA-N 2 1 251.399 2.027 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)N(C)C ZINC000356737381 394598014 /nfs/dbraw/zinc/59/80/14/394598014.db2.gz GOGNSZVVJYHGHL-HOCLYGCPSA-N 2 1 291.439 2.134 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000356737381 394598017 /nfs/dbraw/zinc/59/80/17/394598017.db2.gz GOGNSZVVJYHGHL-HOCLYGCPSA-N 2 1 291.439 2.134 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000356737381 394598018 /nfs/dbraw/zinc/59/80/18/394598018.db2.gz GOGNSZVVJYHGHL-HOCLYGCPSA-N 2 1 291.439 2.134 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532497 394602171 /nfs/dbraw/zinc/60/21/71/394602171.db2.gz AKFJMZZUUUMALO-BZSNNMDCSA-N 2 1 287.451 2.226 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261532497 394602176 /nfs/dbraw/zinc/60/21/76/394602176.db2.gz AKFJMZZUUUMALO-BZSNNMDCSA-N 3 1 287.451 2.226 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532497 394602179 /nfs/dbraw/zinc/60/21/79/394602179.db2.gz AKFJMZZUUUMALO-BZSNNMDCSA-N 3 1 287.451 2.226 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccnc3CC2)CC[N@@H+]1C ZINC000421827997 394607538 /nfs/dbraw/zinc/60/75/38/394607538.db2.gz AMIHNRJOXPGDTN-BMFZPTHFSA-N 2 1 273.424 2.401 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccnc3CC2)CC[N@H+]1C ZINC000421827997 394607540 /nfs/dbraw/zinc/60/75/40/394607540.db2.gz AMIHNRJOXPGDTN-BMFZPTHFSA-N 2 1 273.424 2.401 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCOC1 ZINC000356829740 394624896 /nfs/dbraw/zinc/62/48/96/394624896.db2.gz ALQBAXOJQZATNL-SOUVJXGZSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCOC1 ZINC000356829740 394624898 /nfs/dbraw/zinc/62/48/98/394624898.db2.gz ALQBAXOJQZATNL-SOUVJXGZSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000422736830 394748436 /nfs/dbraw/zinc/74/84/36/394748436.db2.gz GZPVUOQCLXZSRM-AWEZNQCLSA-N 3 1 263.429 2.355 20 0 CEADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1(C(=O)OC)CCC1 ZINC000414200632 394729677 /nfs/dbraw/zinc/72/96/77/394729677.db2.gz XNCFTOJGAJNUKI-CABCVRRESA-N 2 1 296.455 2.430 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000422707058 394730556 /nfs/dbraw/zinc/73/05/56/394730556.db2.gz GNWSWHJQRSSLAD-ZOWXZIJZSA-N 2 1 267.392 2.144 20 0 CEADMP CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422709427 394732263 /nfs/dbraw/zinc/73/22/63/394732263.db2.gz DFWSZUNGBMGXBW-OLZOCXBDSA-N 2 1 278.444 2.230 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422718790 394737913 /nfs/dbraw/zinc/73/79/13/394737913.db2.gz QBRKAGLGMKHVSR-SQWLQELKSA-N 2 1 273.424 2.168 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1cccc2ccccc21 ZINC000357022134 394684654 /nfs/dbraw/zinc/68/46/54/394684654.db2.gz AWNWFGRIBFKGTF-UHFFFAOYSA-N 2 1 258.365 2.247 20 0 CEADMP CC[C@@H](C[NH2+][C@H](C)Cc1ccc(OC)nc1)[NH+]1CCCC1 ZINC000414058083 394688425 /nfs/dbraw/zinc/68/84/25/394688425.db2.gz GUTKPCOKZZMKJA-ZBFHGGJFSA-N 2 1 291.439 2.485 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000268705085 394697682 /nfs/dbraw/zinc/69/76/82/394697682.db2.gz BRGINGZOWBQTLJ-GFCCVEGCSA-N 2 1 287.407 2.316 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000357383876 394698529 /nfs/dbraw/zinc/69/85/29/394698529.db2.gz SOZQSRIPPDUQRP-GJZGRUSLSA-N 2 1 297.487 2.247 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@](C)(O)c1ccsc1 ZINC000268952492 394703906 /nfs/dbraw/zinc/70/39/06/394703906.db2.gz CMZTXAMIGDQQBV-UXOAXIEHSA-N 2 1 282.453 2.274 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414111051 394704929 /nfs/dbraw/zinc/70/49/29/394704929.db2.gz ISMASIJYGVRJIK-LMSBXDPUSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414111051 394704932 /nfs/dbraw/zinc/70/49/32/394704932.db2.gz ISMASIJYGVRJIK-LMSBXDPUSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000358021352 394707789 /nfs/dbraw/zinc/70/77/89/394707789.db2.gz NLHZTZCYXDQIGV-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)C1CCCCC1 ZINC000359319918 394747038 /nfs/dbraw/zinc/74/70/38/394747038.db2.gz JJFDHCZJULYDMM-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000359319918 394747041 /nfs/dbraw/zinc/74/70/41/394747041.db2.gz JJFDHCZJULYDMM-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000359319918 394747042 /nfs/dbraw/zinc/74/70/42/394747042.db2.gz JJFDHCZJULYDMM-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cn1 ZINC000422563822 394713055 /nfs/dbraw/zinc/71/30/55/394713055.db2.gz UNBHKKBDLCEQAG-LZWOXQAQSA-N 2 1 278.444 2.344 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cn1 ZINC000422565380 394713673 /nfs/dbraw/zinc/71/36/73/394713673.db2.gz YVLYPQOPJFJHII-FMKPAKJESA-N 2 1 290.455 2.343 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000334819550 394713889 /nfs/dbraw/zinc/71/38/89/394713889.db2.gz IWLAAFSIBYRPET-PBHICJAKSA-N 2 1 273.424 2.386 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422735237 394747494 /nfs/dbraw/zinc/74/74/94/394747494.db2.gz DQJSXBZGXLTNNP-ARFHVFGLSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)CC[N@H+]1C ZINC000358306645 394717345 /nfs/dbraw/zinc/71/73/45/394717345.db2.gz OHDICFSSSPDWIF-QXSJWSMHSA-N 2 1 268.445 2.390 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422734379 394747543 /nfs/dbraw/zinc/74/75/43/394747543.db2.gz CRMQKGGWCGNRJC-RRFJBIMHSA-N 2 1 255.450 2.356 20 0 CEADMP CC(C)CN(C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)C(C)C ZINC000422637406 394722401 /nfs/dbraw/zinc/72/24/01/394722401.db2.gz OOXGQOSIMBIZNV-JYJNAYRXSA-N 2 1 297.487 2.185 20 0 CEADMP CC(C)CN(C(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)C(C)C ZINC000422637406 394722405 /nfs/dbraw/zinc/72/24/05/394722405.db2.gz OOXGQOSIMBIZNV-JYJNAYRXSA-N 2 1 297.487 2.185 20 0 CEADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422698419 394725388 /nfs/dbraw/zinc/72/53/88/394725388.db2.gz ZFHNGVASIUSIRS-IAGOWNOFSA-N 3 1 275.440 2.498 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000414189294 394725451 /nfs/dbraw/zinc/72/54/51/394725451.db2.gz QTZMUVVLPWDKMG-HUUCEWRRSA-N 2 1 291.439 2.343 20 0 CEADMP COc1ccc2c(c1)OCC[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)C2 ZINC000414760169 394750588 /nfs/dbraw/zinc/75/05/88/394750588.db2.gz GMIVBPWLTVFXKT-KGLIPLIRSA-N 2 1 290.407 2.278 20 0 CEADMP CN(C)Cc1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])ccc1F ZINC000422740204 394751032 /nfs/dbraw/zinc/75/10/32/394751032.db2.gz BBJFRUNDHQFSJE-BBRMVZONSA-N 2 1 279.403 2.104 20 0 CEADMP CC(C)Cn1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000414822497 394751736 /nfs/dbraw/zinc/75/17/36/394751736.db2.gz AICNMBNWDURELS-ZFWWWQNUSA-N 2 1 264.417 2.017 20 0 CEADMP C[NH2+]CC[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414823597 394753485 /nfs/dbraw/zinc/75/34/85/394753485.db2.gz IKDFBXAMOYCOCG-LBPRGKRZSA-N 2 1 257.381 2.143 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000359430518 394754122 /nfs/dbraw/zinc/75/41/22/394754122.db2.gz RMMUCJSQFCRNMY-CQSZACIVSA-N 2 1 274.408 2.407 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414830320 394758129 /nfs/dbraw/zinc/75/81/29/394758129.db2.gz AXBYZXNOFHVJJA-HIFRSBDPSA-N 2 1 256.434 2.402 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000271524050 394758295 /nfs/dbraw/zinc/75/82/95/394758295.db2.gz PVQQQKCSFHJPCF-DTDBQYNISA-N 2 1 288.435 2.139 20 0 CEADMP CC[C@H]([NH2+]CCOc1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422750533 394758675 /nfs/dbraw/zinc/75/86/75/394758675.db2.gz DFOZEPHAQRCLFR-HOTGVXAUSA-N 2 1 262.397 2.494 20 0 CEADMP Fc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc(F)c1F ZINC000414831016 394759100 /nfs/dbraw/zinc/75/91/00/394759100.db2.gz PDLQANWSKRYVHZ-VIFPVBQESA-N 2 1 258.287 2.193 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN(C)c1ccccc1 ZINC000422756521 394762126 /nfs/dbraw/zinc/76/21/26/394762126.db2.gz IYSTUONMCRXYPU-ZBFHGGJFSA-N 2 1 261.413 2.101 20 0 CEADMP COCC1(C[N@H+]2CCC[C@H]2Cn2ccnc2C)CCC1 ZINC000361311008 394822861 /nfs/dbraw/zinc/82/28/61/394822861.db2.gz VXEGAZGEUYOZBR-HNNXBMFYSA-N 2 1 277.412 2.473 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422760976 394765743 /nfs/dbraw/zinc/76/57/43/394765743.db2.gz MKXJHSZTQWWRAH-KTGAGVNESA-N 2 1 285.435 2.134 20 0 CEADMP c1ccc(CN2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422760976 394765747 /nfs/dbraw/zinc/76/57/47/394765747.db2.gz MKXJHSZTQWWRAH-KTGAGVNESA-N 2 1 285.435 2.134 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000414843011 394765874 /nfs/dbraw/zinc/76/58/74/394765874.db2.gz PJZBFTXITVUBHP-ZETCQYMHSA-N 2 1 267.320 2.107 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422764584 394768013 /nfs/dbraw/zinc/76/80/13/394768013.db2.gz PWHGNEUVEOKDFM-QLFBSQMISA-N 2 1 267.461 2.085 20 0 CEADMP CC[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422766269 394768739 /nfs/dbraw/zinc/76/87/39/394768739.db2.gz RDBPBNMRIZKKFK-KURKYZTESA-N 2 1 287.451 2.381 20 0 CEADMP CC(C)CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119646328 394770503 /nfs/dbraw/zinc/77/05/03/394770503.db2.gz DSJZVEMYWIVWJH-SJPCQFCGSA-N 2 1 279.472 2.275 20 0 CEADMP CC[C@@]1(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC[NH2+]C1 ZINC000119608997 394770724 /nfs/dbraw/zinc/77/07/24/394770724.db2.gz JJHQPJPKQSMAEH-DOTOQJQBSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422769981 394772098 /nfs/dbraw/zinc/77/20/98/394772098.db2.gz VUXUNHDCOLEOJH-XUWVNRHRSA-N 2 1 281.488 2.460 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+]CC[C@H]3CC[NH2+]C3)CC[NH2+]2)cc1 ZINC000414856668 394773696 /nfs/dbraw/zinc/77/36/96/394773696.db2.gz YXQNKRZIENUWSY-OIISXLGYSA-N 3 1 273.424 2.069 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000422775669 394775667 /nfs/dbraw/zinc/77/56/67/394775667.db2.gz BBLDLFZKJPBIIN-XJFOESAGSA-N 2 1 252.402 2.064 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CCC[NH2+]C1 ZINC000414866474 394779018 /nfs/dbraw/zinc/77/90/18/394779018.db2.gz MYRJWPPZIUUQGN-QGZVFWFLSA-N 2 1 289.467 2.486 20 0 CEADMP Cc1ccc(O[C@@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422780403 394779652 /nfs/dbraw/zinc/77/96/52/394779652.db2.gz DFCPOZKGJWAWEK-SQWLQELKSA-N 2 1 262.397 2.492 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000422782641 394781970 /nfs/dbraw/zinc/78/19/70/394781970.db2.gz GTSVPJSHMBJWFO-SGMGOOAPSA-N 2 1 266.360 2.323 20 0 CEADMP CCC[NH2+]CC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000414876418 394783225 /nfs/dbraw/zinc/78/32/25/394783225.db2.gz VUDZCHVHQHIMLK-CQSZACIVSA-N 2 1 262.397 2.142 20 0 CEADMP CCOc1cc2c(cc1C[NH2+][C@H](C)C1C[NH2+]C1)O[C@H](C)C2 ZINC000422785959 394783717 /nfs/dbraw/zinc/78/37/17/394783717.db2.gz PVLFCJOZBFHQDC-VXGBXAGGSA-N 2 1 290.407 2.106 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000360038378 394784781 /nfs/dbraw/zinc/78/47/81/394784781.db2.gz NMWGXDCUFNFVJQ-JFIYKMOQSA-N 2 1 287.451 2.443 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC2([NH3+])CCC2)C1 ZINC000414884035 394787593 /nfs/dbraw/zinc/78/75/93/394787593.db2.gz VKLOJISFRAHVKQ-GDBMZVCRSA-N 2 1 273.424 2.293 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000414884035 394787597 /nfs/dbraw/zinc/78/75/97/394787597.db2.gz VKLOJISFRAHVKQ-GDBMZVCRSA-N 2 1 273.424 2.293 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000422791208 394789629 /nfs/dbraw/zinc/78/96/29/394789629.db2.gz VSABAGIQXZFDMG-DZGCQCFKSA-N 2 1 272.396 2.014 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H]([NH3+])C1CC1 ZINC000414894938 394792772 /nfs/dbraw/zinc/79/27/72/394792772.db2.gz MBGAIUDBSLFEQK-QGZVFWFLSA-N 2 1 289.467 2.472 20 0 CEADMP C[C@@H](N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1c[nH+]ccc1N ZINC000422796766 394793203 /nfs/dbraw/zinc/79/32/03/394793203.db2.gz KMEIAUIYFCGJEU-HIFRSBDPSA-N 2 1 288.439 2.409 20 0 CEADMP CC(C)(C)n1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cn1 ZINC000414898579 394794724 /nfs/dbraw/zinc/79/47/24/394794724.db2.gz GIXLYEOQXKXPMN-HNNXBMFYSA-N 2 1 264.417 2.117 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414897611 394794897 /nfs/dbraw/zinc/79/48/97/394794897.db2.gz DZXLGSVZXFXJME-MRXNPFEDSA-N 2 1 275.396 2.124 20 0 CEADMP C[C@H](NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000422800710 394795918 /nfs/dbraw/zinc/79/59/18/394795918.db2.gz CREHYVRIEKNHON-IACUBPJLSA-N 2 1 267.442 2.081 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422801212 394796879 /nfs/dbraw/zinc/79/68/79/394796879.db2.gz FAWAUPYYJMYMLP-JKSUJKDBSA-N 2 1 275.396 2.395 20 0 CEADMP CCCn1nc(C)c(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1C ZINC000414905191 394797677 /nfs/dbraw/zinc/79/76/77/394797677.db2.gz OCWGJVYVJSIZDY-INIZCTEOSA-N 2 1 278.444 2.389 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414905127 394797886 /nfs/dbraw/zinc/79/78/86/394797886.db2.gz MYBCFJSITMZWDN-CQSZACIVSA-N 2 1 250.390 2.004 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1O ZINC000414907402 394799126 /nfs/dbraw/zinc/79/91/26/394799126.db2.gz ASFHWPWMWQWABO-YDHLFZDLSA-N 2 1 292.423 2.310 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000414912540 394800799 /nfs/dbraw/zinc/80/07/99/394800799.db2.gz YLLRUBBFMJIQSJ-KBAYOESNSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414912540 394800803 /nfs/dbraw/zinc/80/08/03/394800803.db2.gz YLLRUBBFMJIQSJ-KBAYOESNSA-N 2 1 287.451 2.239 20 0 CEADMP CCN(CC)c1ncc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000414911519 394801058 /nfs/dbraw/zinc/80/10/58/394801058.db2.gz UIIYVOYJYHBZNW-HNNXBMFYSA-N 2 1 296.484 2.469 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000335820739 394801384 /nfs/dbraw/zinc/80/13/84/394801384.db2.gz XUMDELAMPKELMY-INIZCTEOSA-N 2 1 274.408 2.454 20 0 CEADMP COCc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422808571 394801604 /nfs/dbraw/zinc/80/16/04/394801604.db2.gz OLTVDNHCZIJXNA-GFCCVEGCSA-N 2 1 271.364 2.491 20 0 CEADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422812876 394804827 /nfs/dbraw/zinc/80/48/27/394804827.db2.gz XCZOBVZTWAFLKZ-JKSUJKDBSA-N 2 1 289.423 2.138 20 0 CEADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)C[NH3+])cc1Cl ZINC000414927204 394807616 /nfs/dbraw/zinc/80/76/16/394807616.db2.gz LRIPJWDLLHXKLR-GHMZBOCLSA-N 2 1 283.803 2.302 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H](NCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000360918890 394810192 /nfs/dbraw/zinc/81/01/92/394810192.db2.gz LAAIHQOGWCVRCS-DLBZAZTESA-N 2 1 299.503 2.053 20 0 CEADMP CCOCCC[NH+]1CC[C@@H](NCC[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000360918890 394810195 /nfs/dbraw/zinc/81/01/95/394810195.db2.gz LAAIHQOGWCVRCS-DLBZAZTESA-N 2 1 299.503 2.053 20 0 CEADMP CCOCCC[NH+]1CC[C@@H](NCC[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000360918890 394810199 /nfs/dbraw/zinc/81/01/99/394810199.db2.gz LAAIHQOGWCVRCS-DLBZAZTESA-N 2 1 299.503 2.053 20 0 CEADMP CC[C@@H]([NH2+]CCc1csc(C)n1)[C@@H]1CCC[NH2+]1 ZINC000422819937 394811008 /nfs/dbraw/zinc/81/10/08/394811008.db2.gz OLPYJFAHSJBWEJ-OLZOCXBDSA-N 2 1 253.415 2.114 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)Cc1ccccc1OC ZINC000414937089 394812075 /nfs/dbraw/zinc/81/20/75/394812075.db2.gz CFCZLGYYRBKTDC-CHWSQXEVSA-N 2 1 250.386 2.214 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414937276 394812147 /nfs/dbraw/zinc/81/21/47/394812147.db2.gz XAVIHWAZFSKSIH-VXGBXAGGSA-N 2 1 297.830 2.014 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422824828 394813863 /nfs/dbraw/zinc/81/38/63/394813863.db2.gz ONZIUARDCYOMBL-YOEHRIQHSA-N 2 1 284.407 2.002 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000422825224 394813941 /nfs/dbraw/zinc/81/39/41/394813941.db2.gz PKRDHXMCAPVVET-BZUAXINKSA-N 2 1 299.528 2.324 20 0 CEADMP Cc1csc(N2CCC([NH2+][C@H]3CCC[NH2+][C@H]3C)CC2)n1 ZINC000414950036 394818716 /nfs/dbraw/zinc/81/87/16/394818716.db2.gz HBMUQJQVEMGKLW-JSGCOSHPSA-N 2 1 294.468 2.150 20 0 CEADMP C[N@@H+](Cc1ccc(-c2cccc(F)c2)s1)C[C@H](O)C[NH3+] ZINC000415047176 394862863 /nfs/dbraw/zinc/86/28/63/394862863.db2.gz AOJVPUBIQONETR-CYBMUJFWSA-N 2 1 294.395 2.306 20 0 CEADMP C[N@H+](Cc1ccc(-c2cccc(F)c2)s1)C[C@H](O)C[NH3+] ZINC000415047176 394862865 /nfs/dbraw/zinc/86/28/65/394862865.db2.gz AOJVPUBIQONETR-CYBMUJFWSA-N 2 1 294.395 2.306 20 0 CEADMP C[C@H]([NH2+]CCOc1ncccc1Cl)c1c[nH+]ccc1N ZINC000422930876 394866827 /nfs/dbraw/zinc/86/68/27/394866827.db2.gz WJCDNNYGQGZUGY-JTQLQIEISA-N 2 1 292.770 2.272 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)C1CCCC1 ZINC000415061819 394869910 /nfs/dbraw/zinc/86/99/10/394869910.db2.gz DPRUDLLXRGLMTQ-CQSZACIVSA-N 2 1 294.468 2.219 20 0 CEADMP [NH3+]CC1CCC([NH2+]C2CCN(C3CCC3)CC2)CC1 ZINC000422971535 394871768 /nfs/dbraw/zinc/87/17/68/394871768.db2.gz JAHYUXRLORRWKS-UHFFFAOYSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)C1C[NH2+]C1 ZINC000422973820 394872437 /nfs/dbraw/zinc/87/24/37/394872437.db2.gz PPGFTEHBIAYMRB-LBPRGKRZSA-N 2 1 275.396 2.101 20 0 CEADMP c1cc(C[NH2+]CCC[NH2+]C2CC2)n(-c2ccccc2)n1 ZINC000415067954 394873494 /nfs/dbraw/zinc/87/34/94/394873494.db2.gz LUVQJGNYOLSJCX-UHFFFAOYSA-N 2 1 270.380 2.104 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422991234 394875898 /nfs/dbraw/zinc/87/58/98/394875898.db2.gz AMHQCDFUNMWTGV-QLFBSQMISA-N 3 1 255.450 2.212 20 0 CEADMP Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)CCC2 ZINC000423010278 394879805 /nfs/dbraw/zinc/87/98/05/394879805.db2.gz XIENXPDEHAYREM-ZNMIVQPWSA-N 2 1 276.428 2.189 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000423010215 394879898 /nfs/dbraw/zinc/87/98/98/394879898.db2.gz FWEDKJQAXAONRQ-GUYCJALGSA-N 2 1 258.409 2.379 20 0 CEADMP CCCCN1CCC([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000415082201 394880149 /nfs/dbraw/zinc/88/01/49/394880149.db2.gz LNYXIWFVAZOZEG-HUUCEWRRSA-N 2 1 267.461 2.229 20 0 CEADMP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000423013506 394882102 /nfs/dbraw/zinc/88/21/02/394882102.db2.gz NACIVVXILGMQEB-BZUAXINKSA-N 2 1 288.439 2.158 20 0 CEADMP CCC[C@@H](C[NH2+]C[C@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000414963050 394828101 /nfs/dbraw/zinc/82/81/01/394828101.db2.gz KNBHEEJUNZUPMJ-DLBZAZTESA-N 2 1 275.440 2.064 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)N(C)c1ccccc1 ZINC000422854824 394830662 /nfs/dbraw/zinc/83/06/62/394830662.db2.gz DEIDGJWUATWRAI-DZKIICNBSA-N 2 1 261.413 2.241 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422853925 394830864 /nfs/dbraw/zinc/83/08/64/394830864.db2.gz ZMCZPDICFHGLCK-UONOGXRCSA-N 2 1 285.501 2.063 20 0 CEADMP CCOCCOCc1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422859466 394833818 /nfs/dbraw/zinc/83/38/18/394833818.db2.gz KCEAGRZLUJTVQE-IRXDYDNUSA-N 2 1 292.423 2.209 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCCC[C@H]1C ZINC000422860011 394834834 /nfs/dbraw/zinc/83/48/34/394834834.db2.gz KXHRHPCRZOHBEG-YFVFXCHESA-N 2 1 265.445 2.122 20 0 CEADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000361804200 394835521 /nfs/dbraw/zinc/83/55/21/394835521.db2.gz LMGUAMLBJPSPFH-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@H+]1CCCC[C@@H]1C ZINC000422862328 394835685 /nfs/dbraw/zinc/83/56/85/394835685.db2.gz NNTNPIIBIHTXRV-VGWMRTNUSA-N 2 1 267.461 2.370 20 0 CEADMP C[C@@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422864367 394836708 /nfs/dbraw/zinc/83/67/08/394836708.db2.gz UVJMVWWIYUBBGT-FMKPAKJESA-N 2 1 265.445 2.124 20 0 CEADMP CCCOc1cc(C[NH2+]C[C@@H]([NH3+])CC)ccc1OC ZINC000414987865 394837408 /nfs/dbraw/zinc/83/74/08/394837408.db2.gz ZGOVTGKNXXEKKK-ZDUSSCGKSA-N 2 1 266.385 2.311 20 0 CEADMP C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000422868447 394839288 /nfs/dbraw/zinc/83/92/88/394839288.db2.gz UZRMOFOZGSCNPX-QXSJWSMHSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)N1CCCC[C@@H]1C ZINC000422868447 394839291 /nfs/dbraw/zinc/83/92/91/394839291.db2.gz UZRMOFOZGSCNPX-QXSJWSMHSA-N 2 1 267.461 2.227 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000422869561 394840684 /nfs/dbraw/zinc/84/06/84/394840684.db2.gz XNGOXJFKZBRGLZ-UONOGXRCSA-N 2 1 290.455 2.231 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[N@H+]1CCC[C@H](C)C1 ZINC000422869561 394840686 /nfs/dbraw/zinc/84/06/86/394840686.db2.gz XNGOXJFKZBRGLZ-UONOGXRCSA-N 2 1 290.455 2.231 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C[C@H](C)O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422873006 394842864 /nfs/dbraw/zinc/84/28/64/394842864.db2.gz JLYVAWQMSZPTMY-FSDCSDTHSA-N 2 1 276.424 2.271 20 0 CEADMP COc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1OC(F)F ZINC000415001413 394843509 /nfs/dbraw/zinc/84/35/09/394843509.db2.gz CEUHMRMWQURDJC-RKDXNWHRSA-N 2 1 274.311 2.122 20 0 CEADMP CC1CC[NH+](CCCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422875381 394843514 /nfs/dbraw/zinc/84/35/14/394843514.db2.gz FBDKLIOVQFUFBH-HOTGVXAUSA-N 3 1 267.461 2.086 20 0 CEADMP Cc1ccc([C@H](CN[C@H]2CCC[C@@H]2C[NH3+])[NH+]2CCCC2)o1 ZINC000422878220 394844645 /nfs/dbraw/zinc/84/46/45/394844645.db2.gz JNYMRQIKFMUUHH-PMPSAXMXSA-N 2 1 291.439 2.442 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+]([C@@H]1CCCC[C@H]1O)CC2)C1CC1 ZINC000362104341 394844911 /nfs/dbraw/zinc/84/49/11/394844911.db2.gz CUDONGPVAIPXAE-USXIJHARSA-N 2 1 292.467 2.486 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422880099 394846765 /nfs/dbraw/zinc/84/67/65/394846765.db2.gz LPZWCKDHCORDRT-GJZGRUSLSA-N 3 1 255.450 2.358 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422885871 394849145 /nfs/dbraw/zinc/84/91/45/394849145.db2.gz HMXZGNLOZAGYLB-QKPAOTATSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422885871 394849146 /nfs/dbraw/zinc/84/91/46/394849146.db2.gz HMXZGNLOZAGYLB-QKPAOTATSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@@H](NCCCC[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]1 ZINC000422884670 394849269 /nfs/dbraw/zinc/84/92/69/394849269.db2.gz SOEOSHGTYZTWAF-HZPDHXFCSA-N 2 1 267.461 2.229 20 0 CEADMP Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cn1 ZINC000422896645 394854712 /nfs/dbraw/zinc/85/47/12/394854712.db2.gz YKWJCHHMUAKTBI-PBHICJAKSA-N 2 1 269.392 2.438 20 0 CEADMP C[C@@H]1C[C@@H](NCC2([NH+](C)C)CCCC2)C[N@@H+]1C1CC1 ZINC000128597704 394854992 /nfs/dbraw/zinc/85/49/92/394854992.db2.gz SYDIDZSEDMBEJY-ZIAGYGMSSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@@H](NCC2([NH+](C)C)CCCC2)C[N@H+]1C1CC1 ZINC000128597704 394854994 /nfs/dbraw/zinc/85/49/94/394854994.db2.gz SYDIDZSEDMBEJY-ZIAGYGMSSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)CCOc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415032011 394855737 /nfs/dbraw/zinc/85/57/37/394855737.db2.gz GXIZWFIEHYWVGO-FVQHAEBGSA-N 2 1 274.408 2.419 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000129010932 394856661 /nfs/dbraw/zinc/85/66/61/394856661.db2.gz UZEHNYLJJUUHHD-ZFWWWQNUSA-N 2 1 270.380 2.184 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc2cccnc12 ZINC000415036827 394857675 /nfs/dbraw/zinc/85/76/75/394857675.db2.gz KGTSMQQIGHTPFM-MRXNPFEDSA-N 2 1 285.391 2.011 20 0 CEADMP C[C@@H](NC[C@H]1CCC[N@H+]1CC1CCCCC1)C1C[NH2+]C1 ZINC000422910930 394859363 /nfs/dbraw/zinc/85/93/63/394859363.db2.gz RWJQWWCUPZXBJD-RHSMWYFYSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@H]([NH3+])CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423228033 394888463 /nfs/dbraw/zinc/88/84/63/394888463.db2.gz XYWXJTLKWHEPLY-CWRNSKLLSA-N 2 1 261.413 2.149 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423245097 394889206 /nfs/dbraw/zinc/88/92/06/394889206.db2.gz INRSEOOSRQOJEL-RYQLBKOJSA-N 3 1 287.451 2.411 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423245097 394889212 /nfs/dbraw/zinc/88/92/12/394889212.db2.gz INRSEOOSRQOJEL-RYQLBKOJSA-N 3 1 287.451 2.411 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)CCCO1 ZINC000415105993 394892574 /nfs/dbraw/zinc/89/25/74/394892574.db2.gz IYJNHTXPFREBIR-KRWDZBQOSA-N 2 1 297.402 2.298 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CCCO1 ZINC000415105993 394892577 /nfs/dbraw/zinc/89/25/77/394892577.db2.gz IYJNHTXPFREBIR-KRWDZBQOSA-N 2 1 297.402 2.298 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423340930 394892687 /nfs/dbraw/zinc/89/26/87/394892687.db2.gz WAUYKLPGPMYWOJ-GOEBONIOSA-N 2 1 295.471 2.275 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CC2=CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423351227 394898263 /nfs/dbraw/zinc/89/82/63/394898263.db2.gz HOWPXEBKVBNHPT-MSOLQXFVSA-N 3 1 285.435 2.331 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2=CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423351227 394898266 /nfs/dbraw/zinc/89/82/66/394898266.db2.gz HOWPXEBKVBNHPT-MSOLQXFVSA-N 3 1 285.435 2.331 20 0 CEADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423356607 394900323 /nfs/dbraw/zinc/90/03/23/394900323.db2.gz GYIKJKXNHUPXQW-IIAWOOMASA-N 2 1 261.413 2.380 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423363129 394901151 /nfs/dbraw/zinc/90/11/51/394901151.db2.gz BMLZFMGMOWUYRZ-UBDQQSCGSA-N 2 1 287.451 2.410 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000423363129 394901153 /nfs/dbraw/zinc/90/11/53/394901153.db2.gz BMLZFMGMOWUYRZ-UBDQQSCGSA-N 2 1 287.451 2.410 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000415137389 394901521 /nfs/dbraw/zinc/90/15/21/394901521.db2.gz TVFFGNXOEIBMMG-UHFFFAOYSA-N 2 1 276.302 2.468 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000415137389 394901524 /nfs/dbraw/zinc/90/15/24/394901524.db2.gz TVFFGNXOEIBMMG-UHFFFAOYSA-N 2 1 276.302 2.468 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000423376429 394906653 /nfs/dbraw/zinc/90/66/53/394906653.db2.gz JFJLNBGKTNCPQR-SCVCMEIPSA-N 2 1 282.409 2.326 20 0 CEADMP C[C@@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423385644 394909371 /nfs/dbraw/zinc/90/93/71/394909371.db2.gz GUKFZHWANFQSAB-DZOHQFGASA-N 2 1 287.451 2.366 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1OC ZINC000131492173 394912874 /nfs/dbraw/zinc/91/28/74/394912874.db2.gz HSYQVEGBOVICCT-AAEUAGOBSA-N 2 1 264.369 2.015 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1OC ZINC000131492173 394912878 /nfs/dbraw/zinc/91/28/78/394912878.db2.gz HSYQVEGBOVICCT-AAEUAGOBSA-N 2 1 264.369 2.015 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423394664 394914033 /nfs/dbraw/zinc/91/40/33/394914033.db2.gz MWEJDEUVSQCZCT-JEBQAFNWSA-N 2 1 283.419 2.379 20 0 CEADMP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@@H](C)C[NH3+])cc1OC ZINC000423399143 394915018 /nfs/dbraw/zinc/91/50/18/394915018.db2.gz PKXUQEMYPCSVOQ-SRVKXCTJSA-N 2 1 266.385 2.133 20 0 CEADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCCO2 ZINC000423431202 394920626 /nfs/dbraw/zinc/92/06/26/394920626.db2.gz LPBFWSHOGOVWAG-KNCOVGOOSA-N 2 1 258.365 2.016 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000423444247 394922389 /nfs/dbraw/zinc/92/23/89/394922389.db2.gz LMMMRRBDZWQJFJ-SRVKXCTJSA-N 2 1 264.369 2.234 20 0 CEADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423457800 394925859 /nfs/dbraw/zinc/92/58/59/394925859.db2.gz GANZZSGOBXBLGZ-PTRXPTGYSA-N 2 1 252.333 2.147 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CCCO[C@H]1CCCCO1)CC2 ZINC000366996370 394955618 /nfs/dbraw/zinc/95/56/18/394955618.db2.gz NUWCPFGEEYFLKK-INIZCTEOSA-N 2 1 296.455 2.480 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CCCO[C@H]1CCCCO1)CC2 ZINC000366996370 394955622 /nfs/dbraw/zinc/95/56/22/394955622.db2.gz NUWCPFGEEYFLKK-INIZCTEOSA-N 2 1 296.455 2.480 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)CO2 ZINC000423502051 394937408 /nfs/dbraw/zinc/93/74/08/394937408.db2.gz LSVAFHXVZUCYLS-GDBMZVCRSA-N 2 1 290.407 2.106 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000339073310 394940152 /nfs/dbraw/zinc/94/01/52/394940152.db2.gz BQCHMGPGJBDLEX-JYJNAYRXSA-N 2 1 266.429 2.408 20 0 CEADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423506524 394940160 /nfs/dbraw/zinc/94/01/60/394940160.db2.gz HBTOYTFZXMDSOL-RDJZCZTQSA-N 2 1 290.407 2.041 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423509531 394941853 /nfs/dbraw/zinc/94/18/53/394941853.db2.gz RMZLGHHUKZVQAP-SOUVJXGZSA-N 2 1 254.418 2.299 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1(C)C ZINC000423567077 394952602 /nfs/dbraw/zinc/95/26/02/394952602.db2.gz UPJWPZRGIKDXEW-HZSPNIEDSA-N 2 1 254.418 2.310 20 0 CEADMP C[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340249222 394982200 /nfs/dbraw/zinc/98/22/00/394982200.db2.gz FIHHBCQALOMCKN-HYVNUMGLSA-N 2 1 276.424 2.430 20 0 CEADMP C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340249222 394982202 /nfs/dbraw/zinc/98/22/02/394982202.db2.gz FIHHBCQALOMCKN-HYVNUMGLSA-N 2 1 276.424 2.430 20 0 CEADMP Cc1noc(C)c1C[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000152076144 394986106 /nfs/dbraw/zinc/98/61/06/394986106.db2.gz CGPQIWGYVCJUIN-GYSYKLTISA-N 2 1 265.401 2.295 20 0 CEADMP Cc1noc(C)c1C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152076144 394986109 /nfs/dbraw/zinc/98/61/09/394986109.db2.gz CGPQIWGYVCJUIN-GYSYKLTISA-N 2 1 265.401 2.295 20 0 CEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cn[nH]c2)[C@@H](C)C1 ZINC000340475525 394986055 /nfs/dbraw/zinc/98/60/55/394986055.db2.gz CWIQNRKQGAMRAP-LZWOXQAQSA-N 2 1 294.443 2.197 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cn[nH]c2)[C@@H](C)C1 ZINC000340475525 394986057 /nfs/dbraw/zinc/98/60/57/394986057.db2.gz CWIQNRKQGAMRAP-LZWOXQAQSA-N 2 1 294.443 2.197 20 0 CEADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000415970050 394988723 /nfs/dbraw/zinc/98/87/23/394988723.db2.gz GSWLYURMOGVELI-DOMZBBRYSA-N 2 1 290.411 2.010 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981834 394990953 /nfs/dbraw/zinc/99/09/53/394990953.db2.gz WMEGWKXQVBYSSH-CYBMUJFWSA-N 2 1 290.411 2.141 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@@H]1CCCO1)CC2)C1CC1 ZINC000367209585 394959331 /nfs/dbraw/zinc/95/93/31/394959331.db2.gz SBFDOJIKKBAXCW-HOCLYGCPSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCO[C@H]3CCCCO3)C2)C1 ZINC000339436760 394959415 /nfs/dbraw/zinc/95/94/15/394959415.db2.gz JDUDWWCZCYJVMQ-DLBZAZTESA-N 2 1 296.455 2.337 20 0 CEADMP CC(C)OCCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339431180 394960257 /nfs/dbraw/zinc/96/02/57/394960257.db2.gz VTHRNNJVOBRMSH-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)OCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339431180 394960259 /nfs/dbraw/zinc/96/02/59/394960259.db2.gz VTHRNNJVOBRMSH-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)OCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339431180 394960260 /nfs/dbraw/zinc/96/02/60/394960260.db2.gz VTHRNNJVOBRMSH-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCCCC2)C1)[NH+](C)C ZINC000371211620 395026418 /nfs/dbraw/zinc/02/64/18/395026418.db2.gz BILNZWOCHRPLAZ-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000423757658 394977204 /nfs/dbraw/zinc/97/72/04/394977204.db2.gz IVHMBIRWNCKXRY-CQSZACIVSA-N 2 1 283.460 2.083 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3C=CCCC3)C2)CC1 ZINC000375887024 395103452 /nfs/dbraw/zinc/10/34/52/395103452.db2.gz BJHVRGIWJWAHAA-IAGOWNOFSA-N 2 1 277.456 2.195 20 0 CEADMP C[C@@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCC[C@H]1C ZINC000344637719 395058240 /nfs/dbraw/zinc/05/82/40/395058240.db2.gz FYMGKZYTQSKXFU-WCVJEAGWSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000344637719 395058243 /nfs/dbraw/zinc/05/82/43/395058243.db2.gz FYMGKZYTQSKXFU-WCVJEAGWSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[N@H+]1CCCC[C@H]1C ZINC000344637719 395058248 /nfs/dbraw/zinc/05/82/48/395058248.db2.gz FYMGKZYTQSKXFU-WCVJEAGWSA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@]1(CO)CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000426461703 395076645 /nfs/dbraw/zinc/07/66/45/395076645.db2.gz QYHKVFLAGVGPFP-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP CC[C@]1(CO)CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000426461703 395076646 /nfs/dbraw/zinc/07/66/46/395076646.db2.gz QYHKVFLAGVGPFP-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP CC[C@]1(CO)CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000426461703 395076647 /nfs/dbraw/zinc/07/66/47/395076647.db2.gz QYHKVFLAGVGPFP-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP C[C@H]1CC[N@@H+](CC2CCOCC2)C[C@@H]1n1ccnc1 ZINC000163284942 395083497 /nfs/dbraw/zinc/08/34/97/395083497.db2.gz ISSIHGMTZSRBIK-ZFWWWQNUSA-N 2 1 263.385 2.193 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427101054 395092478 /nfs/dbraw/zinc/09/24/78/395092478.db2.gz ARSWRZALHIBEMG-FVQBIDKESA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427101054 395092480 /nfs/dbraw/zinc/09/24/80/395092480.db2.gz ARSWRZALHIBEMG-FVQBIDKESA-N 2 1 266.429 2.123 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000494251345 395103105 /nfs/dbraw/zinc/10/31/05/395103105.db2.gz PMZRCUPHROOKTL-OCCSQVGLSA-N 2 1 251.374 2.129 20 0 CEADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158124518 395038726 /nfs/dbraw/zinc/03/87/26/395038726.db2.gz VJGQYHIEPKAQGN-ZYHUDNBSSA-N 2 1 253.415 2.066 20 0 CEADMP CC(C)[NH+](CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CC1)C(C)C ZINC000427470765 395115615 /nfs/dbraw/zinc/11/56/15/395115615.db2.gz IHNUNPXCLMJZOZ-MRXNPFEDSA-N 2 1 295.471 2.190 20 0 CEADMP CC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346977902 395115910 /nfs/dbraw/zinc/11/59/10/395115910.db2.gz NFQIUDDVIGVLMV-SJORKVTESA-N 2 1 276.424 2.259 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cncc(F)c1 ZINC000494548459 395119463 /nfs/dbraw/zinc/11/94/63/395119463.db2.gz NZXFGOIEDYPMIW-LLVKDONJSA-N 2 1 262.332 2.152 20 0 CEADMP C[C@H](C[C@@H](C)[NH2+]C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000494555905 395121030 /nfs/dbraw/zinc/12/10/30/395121030.db2.gz SBVIETMRCNMLFK-CHWSQXEVSA-N 2 1 299.459 2.362 20 0 CEADMP CCn1cncc1CNCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417863680 395150917 /nfs/dbraw/zinc/15/09/17/395150917.db2.gz GGXNGDYIKUPHBO-GASCZTMLSA-N 2 1 278.444 2.361 20 0 CEADMP CCn1cncc1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417863680 395150919 /nfs/dbraw/zinc/15/09/19/395150919.db2.gz GGXNGDYIKUPHBO-GASCZTMLSA-N 2 1 278.444 2.361 20 0 CEADMP CCn1cncc1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417863680 395150921 /nfs/dbraw/zinc/15/09/21/395150921.db2.gz GGXNGDYIKUPHBO-GASCZTMLSA-N 2 1 278.444 2.361 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000348355958 395142610 /nfs/dbraw/zinc/14/26/10/395142610.db2.gz NEQRTLCPSHKZLI-HNNXBMFYSA-N 2 1 269.477 2.284 20 0 CEADMP CCN(Cc1ccccc1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000382084369 395179840 /nfs/dbraw/zinc/17/98/40/395179840.db2.gz WXKRTUYAHUVYPF-MRXNPFEDSA-N 2 1 264.413 2.210 20 0 CEADMP CC[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C(C)C ZINC000382084369 395179845 /nfs/dbraw/zinc/17/98/45/395179845.db2.gz WXKRTUYAHUVYPF-MRXNPFEDSA-N 2 1 264.413 2.210 20 0 CEADMP CC[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C(C)C ZINC000382084369 395179846 /nfs/dbraw/zinc/17/98/46/395179846.db2.gz WXKRTUYAHUVYPF-MRXNPFEDSA-N 2 1 264.413 2.210 20 0 CEADMP CC(C)[C@H]1CCC[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000438999355 395243446 /nfs/dbraw/zinc/24/34/46/395243446.db2.gz KIDNXIOFTJZVGO-IAGOWNOFSA-N 2 1 281.488 2.428 20 0 CEADMP COCc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])o1 ZINC000382719396 395183198 /nfs/dbraw/zinc/18/31/98/395183198.db2.gz HINNSKYEWCOEPY-GFCCVEGCSA-N 2 1 252.358 2.129 20 0 CEADMP COCc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])o1 ZINC000382719396 395183202 /nfs/dbraw/zinc/18/32/02/395183202.db2.gz HINNSKYEWCOEPY-GFCCVEGCSA-N 2 1 252.358 2.129 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000179231696 395186031 /nfs/dbraw/zinc/18/60/31/395186031.db2.gz PXCMUVVSIRSGOB-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000179231696 395186036 /nfs/dbraw/zinc/18/60/36/395186036.db2.gz PXCMUVVSIRSGOB-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000433034132 395191929 /nfs/dbraw/zinc/19/19/29/395191929.db2.gz RMDSJDIVTWKOAZ-HNNXBMFYSA-N 2 1 277.412 2.351 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](O)C12CCCC2 ZINC000433034132 395191936 /nfs/dbraw/zinc/19/19/36/395191936.db2.gz RMDSJDIVTWKOAZ-HNNXBMFYSA-N 2 1 277.412 2.351 20 0 CEADMP CC1CCC2(CC1)OC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)O2 ZINC000180003798 395199251 /nfs/dbraw/zinc/19/92/51/395199251.db2.gz CNEPAYBXDJGXOI-NMSBFTQNSA-N 2 1 296.455 2.381 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1COC(C)(C)C1 ZINC000396810609 395219783 /nfs/dbraw/zinc/21/97/83/395219783.db2.gz QPRZTMCIUSJLEQ-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)[C@H]1CC[N@H+]1C[C@@H](O)CN1CCc2ccccc2C1 ZINC000353030010 395285532 /nfs/dbraw/zinc/28/55/32/395285532.db2.gz SFAQMPNJRURIRO-ZWKOTPCHSA-N 2 1 288.435 2.136 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000420275527 395288552 /nfs/dbraw/zinc/28/85/52/395288552.db2.gz QMMMWANMLBRABX-UHFFFAOYSA-N 2 1 295.814 2.352 20 0 CEADMP CC[NH+](CC)CCCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420323526 395325924 /nfs/dbraw/zinc/32/59/24/395325924.db2.gz YLJLQOKEYPPCIQ-MRXNPFEDSA-N 2 1 267.461 2.040 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000420289764 395298347 /nfs/dbraw/zinc/29/83/47/395298347.db2.gz IISGVWKFLYGOQC-UHFFFAOYSA-N 2 1 265.426 2.452 20 0 CEADMP Cc1cnn(CC[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000420323510 395326371 /nfs/dbraw/zinc/32/63/71/395326371.db2.gz YJLHLPAJQJKBDB-UHFFFAOYSA-N 2 1 264.417 2.033 20 0 CEADMP c1ccc([C@@H]2COCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420301100 395305475 /nfs/dbraw/zinc/30/54/75/395305475.db2.gz LAOKZTNYUOCEQL-WBVHZDCISA-N 2 1 274.408 2.450 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420300616 395306151 /nfs/dbraw/zinc/30/61/51/395306151.db2.gz CULWBILLJFRFAZ-NXEZZACHSA-N 2 1 273.302 2.270 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420300616 395306156 /nfs/dbraw/zinc/30/61/56/395306156.db2.gz CULWBILLJFRFAZ-NXEZZACHSA-N 2 1 273.302 2.270 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000420300305 395306359 /nfs/dbraw/zinc/30/63/59/395306359.db2.gz CGDLTUPKYAAXBV-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000420300305 395306362 /nfs/dbraw/zinc/30/63/62/395306362.db2.gz CGDLTUPKYAAXBV-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420301992 395308145 /nfs/dbraw/zinc/30/81/45/395308145.db2.gz LTDKUUGMNVBQIU-FSDCSDTHSA-N 2 1 276.424 2.180 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420301992 395308148 /nfs/dbraw/zinc/30/81/48/395308148.db2.gz LTDKUUGMNVBQIU-FSDCSDTHSA-N 2 1 276.424 2.180 20 0 CEADMP CC[N@H+](CC(=O)N(CC(C)C)C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000420304671 395309660 /nfs/dbraw/zinc/30/96/60/395309660.db2.gz FIVGOALDJTVVGU-INIZCTEOSA-N 2 1 297.487 2.343 20 0 CEADMP CC[N@@H+](CC(=O)N(CC(C)C)C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000420304671 395309663 /nfs/dbraw/zinc/30/96/63/395309663.db2.gz FIVGOALDJTVVGU-INIZCTEOSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[N@H+](Cc1ccc(C(=O)OC)s1)C1CC[NH2+]CC1 ZINC000420308503 395312962 /nfs/dbraw/zinc/31/29/62/395312962.db2.gz CUHJEHBMXOVMFN-UHFFFAOYSA-N 2 1 296.436 2.499 20 0 CEADMP CCC[N@@H+](Cc1ccc(C(=O)OC)s1)C1CC[NH2+]CC1 ZINC000420308503 395312966 /nfs/dbraw/zinc/31/29/66/395312966.db2.gz CUHJEHBMXOVMFN-UHFFFAOYSA-N 2 1 296.436 2.499 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCN1CC[NH2+]CC1 ZINC000420308596 395313253 /nfs/dbraw/zinc/31/32/53/395313253.db2.gz SKJBSXBNSPFYIR-SFHVURJKSA-N 2 1 289.467 2.235 20 0 CEADMP Clc1ccc([C@@H]2CC[N@@H+](CCN3CC[NH2+]CC3)C2)cc1 ZINC000420308014 395313517 /nfs/dbraw/zinc/31/35/17/395313517.db2.gz RUXQNWYKAMVFFP-OAHLLOKOSA-N 2 1 293.842 2.035 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cn3)C[C@H]12 ZINC000420315171 395318513 /nfs/dbraw/zinc/31/85/13/395318513.db2.gz WPDVHNJOQJNPOP-JIMOISOXSA-N 2 1 285.313 2.270 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000434660557 395318951 /nfs/dbraw/zinc/31/89/51/395318951.db2.gz ABCGVWMSWGHYBY-KRWDZBQOSA-N 2 1 299.418 2.298 20 0 CEADMP COc1cccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000420317867 395319651 /nfs/dbraw/zinc/31/96/51/395319651.db2.gz NHHKOBSVESDGHC-YIONKMFJSA-N 2 1 290.407 2.289 20 0 CEADMP CC[N@@H+](CCCc1ccncc1)[C@H]1CCC[NH2+]CC1 ZINC000420316999 395319667 /nfs/dbraw/zinc/31/96/67/395319667.db2.gz UERCOWPJPDKXIQ-INIZCTEOSA-N 2 1 261.413 2.478 20 0 CEADMP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)C[C@H]1CCCO1 ZINC000420324536 395327531 /nfs/dbraw/zinc/32/75/31/395327531.db2.gz VPTXMNMKFFIVIB-DOTOQJQBSA-N 2 1 292.423 2.238 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC1(C[NH+](C)C)CCCC1 ZINC000183956006 395268861 /nfs/dbraw/zinc/26/88/61/395268861.db2.gz UJLDGFLYTKZJBL-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183956006 395268864 /nfs/dbraw/zinc/26/88/64/395268864.db2.gz UJLDGFLYTKZJBL-OWCLPIDISA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183956006 395268869 /nfs/dbraw/zinc/26/88/69/395268869.db2.gz UJLDGFLYTKZJBL-OWCLPIDISA-N 3 1 281.488 2.427 20 0 CEADMP COC[C@@H]1CCCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420376337 395361843 /nfs/dbraw/zinc/36/18/43/395361843.db2.gz QLXPNCYFYXRMCV-HUUCEWRRSA-N 2 1 254.418 2.125 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000420376739 395362443 /nfs/dbraw/zinc/36/24/43/395362443.db2.gz RCOTVJPSKLGBRS-CQSZACIVSA-N 2 1 272.396 2.110 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420377116 395362693 /nfs/dbraw/zinc/36/26/93/395362693.db2.gz KROUNOWUASTLKP-CJNGLKHVSA-N 2 1 285.395 2.135 20 0 CEADMP c1ccc([C@@H]2CNCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420402143 395370970 /nfs/dbraw/zinc/37/09/70/395370970.db2.gz JRUNPCDGAFKLJZ-WBVHZDCISA-N 2 1 273.424 2.023 20 0 CEADMP c1ccc([C@@H]2C[NH2+]CCN2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420402143 395370974 /nfs/dbraw/zinc/37/09/74/395370974.db2.gz JRUNPCDGAFKLJZ-WBVHZDCISA-N 2 1 273.424 2.023 20 0 CEADMP CCCCOCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420401355 395371477 /nfs/dbraw/zinc/37/14/77/395371477.db2.gz PIKIUHOVIGYJRC-CABCVRRESA-N 2 1 254.418 2.267 20 0 CEADMP CC[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OC ZINC000412975700 395371752 /nfs/dbraw/zinc/37/17/52/395371752.db2.gz GQEBEIPIQFGGBU-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CC[C@H]1CCCCN1C(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435616649 395378646 /nfs/dbraw/zinc/37/86/46/395378646.db2.gz TXCRRFWOJLRIQK-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@H]1CCCCN1C(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435616649 395378650 /nfs/dbraw/zinc/37/86/50/395378650.db2.gz TXCRRFWOJLRIQK-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442773662 395393259 /nfs/dbraw/zinc/39/32/59/395393259.db2.gz XQRNAMMYJRWUOW-WCQYABFASA-N 2 1 270.380 2.107 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442773661 395393360 /nfs/dbraw/zinc/39/33/60/395393360.db2.gz XQRNAMMYJRWUOW-DGCLKSJQSA-N 2 1 270.380 2.107 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000442771592 395393616 /nfs/dbraw/zinc/39/36/16/395393616.db2.gz UGLRFVLPFLLLJU-UONOGXRCSA-N 2 1 297.402 2.447 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000442771592 395393618 /nfs/dbraw/zinc/39/36/18/395393618.db2.gz UGLRFVLPFLLLJU-UONOGXRCSA-N 2 1 297.402 2.447 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000435884940 395394109 /nfs/dbraw/zinc/39/41/09/395394109.db2.gz YXMUCDIWBDWULT-JTQLQIEISA-N 2 1 290.333 2.217 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000435884940 395394112 /nfs/dbraw/zinc/39/41/12/395394112.db2.gz YXMUCDIWBDWULT-JTQLQIEISA-N 2 1 290.333 2.217 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420327886 395329095 /nfs/dbraw/zinc/32/90/95/395329095.db2.gz ZBFBZAOZBOULQG-AWEZNQCLSA-N 2 1 250.386 2.469 20 0 CEADMP CC(C)Cc1noc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420337859 395335012 /nfs/dbraw/zinc/33/50/12/395335012.db2.gz KFIVVSCGPFEHKY-KBPBESRZSA-N 2 1 292.427 2.090 20 0 CEADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349162 395339916 /nfs/dbraw/zinc/33/99/16/395339916.db2.gz BZGPHIQHVLPFMM-BXKDBHETSA-N 2 1 276.302 2.018 20 0 CEADMP Cc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccn1 ZINC000529569675 395408634 /nfs/dbraw/zinc/40/86/34/395408634.db2.gz QANLJJHKMPOMIQ-HOTGVXAUSA-N 2 1 259.397 2.306 20 0 CEADMP CC[NH+](CC)[C@@H](C)CN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000355327865 395413353 /nfs/dbraw/zinc/41/33/53/395413353.db2.gz GWTVHDPWADARTL-KKUMJFAQSA-N 2 1 255.450 2.037 20 0 CEADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+]3)c2C1 ZINC000444169055 395419587 /nfs/dbraw/zinc/41/95/87/395419587.db2.gz JKQMPEDLZYPJJG-MRXNPFEDSA-N 2 1 287.407 2.349 20 0 CEADMP Cc1ccc(C[N@@H+](C)CCC[NH3+])c(-c2cnn(C)c2)c1 ZINC000567864626 395537091 /nfs/dbraw/zinc/53/70/91/395537091.db2.gz DIKZYFACIGBMGH-UHFFFAOYSA-N 2 1 272.396 2.176 20 0 CEADMP CC[N@H+]1C[C@H](C)N(Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000565541884 395475161 /nfs/dbraw/zinc/47/51/61/395475161.db2.gz BGSLIDOVKNYWKH-GJZGRUSLSA-N 2 1 287.451 2.247 20 0 CEADMP CCN1C[C@H](C)[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000565541884 395475163 /nfs/dbraw/zinc/47/51/63/395475163.db2.gz BGSLIDOVKNYWKH-GJZGRUSLSA-N 2 1 287.451 2.247 20 0 CEADMP CCN1C[C@H](C)[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000565541884 395475165 /nfs/dbraw/zinc/47/51/65/395475165.db2.gz BGSLIDOVKNYWKH-GJZGRUSLSA-N 2 1 287.451 2.247 20 0 CEADMP COC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000446754431 395498575 /nfs/dbraw/zinc/49/85/75/395498575.db2.gz WMXOTFLFXZHWJY-INIZCTEOSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1c(F)cncc1F ZINC000573814411 395619834 /nfs/dbraw/zinc/61/98/34/395619834.db2.gz REUHDOOLDQFGRS-JTQLQIEISA-N 2 1 280.322 2.377 20 0 CEADMP Cc1cccc2oc(CC[NH2+][C@@H]3CNCC[C@H]3C)nc21 ZINC000573355108 395606578 /nfs/dbraw/zinc/60/65/78/395606578.db2.gz MLIFXSJTRYHVAF-DGCLKSJQSA-N 2 1 273.380 2.266 20 0 CEADMP O[C@@H]1CCC[C@H]1[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000451423888 395616964 /nfs/dbraw/zinc/61/69/64/395616964.db2.gz RXVYFADISAWPIW-GVDBMIGSSA-N 2 1 280.456 2.488 20 0 CEADMP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cn1 ZINC000568407808 395558739 /nfs/dbraw/zinc/55/87/39/395558739.db2.gz SHSZFBKTAUOABI-UKRRQHHQSA-N 2 1 276.428 2.238 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cn1 ZINC000568407808 395558741 /nfs/dbraw/zinc/55/87/41/395558741.db2.gz SHSZFBKTAUOABI-UKRRQHHQSA-N 2 1 276.428 2.238 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000569074080 395573128 /nfs/dbraw/zinc/57/31/28/395573128.db2.gz JBHDLXRRQXTWPE-RFQIPJPRSA-N 2 1 252.402 2.016 20 0 CEADMP CC[N@H+](Cc1ccc(Cl)cc1)C[C@](C)(O)C[NH2+]C ZINC000574644805 395634213 /nfs/dbraw/zinc/63/42/13/395634213.db2.gz XIRGZEIJLYTVCE-CQSZACIVSA-N 2 1 270.804 2.132 20 0 CEADMP CC[N@@H+](Cc1ccc(Cl)cc1)C[C@](C)(O)C[NH2+]C ZINC000574644805 395634215 /nfs/dbraw/zinc/63/42/15/395634215.db2.gz XIRGZEIJLYTVCE-CQSZACIVSA-N 2 1 270.804 2.132 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000574747773 395636383 /nfs/dbraw/zinc/63/63/83/395636383.db2.gz CQXHXPQFBBOELV-AWEZNQCLSA-N 2 1 289.423 2.464 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000574815385 395637971 /nfs/dbraw/zinc/63/79/71/395637971.db2.gz WFXLVBSNIZROFQ-BURFUSLBSA-N 2 1 292.467 2.486 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000574815385 395637972 /nfs/dbraw/zinc/63/79/72/395637972.db2.gz WFXLVBSNIZROFQ-BURFUSLBSA-N 2 1 292.467 2.486 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000574815385 395637973 /nfs/dbraw/zinc/63/79/73/395637973.db2.gz WFXLVBSNIZROFQ-BURFUSLBSA-N 2 1 292.467 2.486 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000574815385 395637974 /nfs/dbraw/zinc/63/79/74/395637974.db2.gz WFXLVBSNIZROFQ-BURFUSLBSA-N 2 1 292.467 2.486 20 0 CEADMP O[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000574815385 395637975 /nfs/dbraw/zinc/63/79/75/395637975.db2.gz WFXLVBSNIZROFQ-BURFUSLBSA-N 2 1 292.467 2.486 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCSC2)[C@H](c2ccccc2)C1 ZINC000647344336 395706838 /nfs/dbraw/zinc/70/68/38/395706838.db2.gz OKJKZWMVHFXOQO-OAGGEKHMSA-N 2 1 276.449 2.427 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCCOCC2)[C@H](c2ccccc2)C1 ZINC000647343712 395707161 /nfs/dbraw/zinc/70/71/61/395707161.db2.gz AOVIVCRQGFFXFX-SQNIBIBYSA-N 2 1 288.435 2.491 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)n1 ZINC000647498159 395721518 /nfs/dbraw/zinc/72/15/18/395721518.db2.gz BPNSIVTVUGLDTQ-GXTWGEPZSA-N 2 1 263.385 2.040 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)n1 ZINC000647498159 395721520 /nfs/dbraw/zinc/72/15/20/395721520.db2.gz BPNSIVTVUGLDTQ-GXTWGEPZSA-N 2 1 263.385 2.040 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nccc3ccccc32)CC[C@H]1[NH3+] ZINC000647496536 395721953 /nfs/dbraw/zinc/72/19/53/395721953.db2.gz ROBKNEYZUBSXNX-IUODEOHRSA-N 2 1 255.365 2.404 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc3c(c2)ncn3C)CC[C@@H]1[NH3+] ZINC000647498195 395722047 /nfs/dbraw/zinc/72/20/47/395722047.db2.gz CMVAHEGIHWXDSV-KBPBESRZSA-N 2 1 272.396 2.133 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cccc3c2OCCCO3)CC[C@@H]1[NH3+] ZINC000647498967 395722675 /nfs/dbraw/zinc/72/26/75/395722675.db2.gz VHHGUOSQEVHZAQ-ZFWWWQNUSA-N 2 1 290.407 2.407 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc3c2OCCCO3)CC[C@@H]1[NH3+] ZINC000647498967 395722677 /nfs/dbraw/zinc/72/26/77/395722677.db2.gz VHHGUOSQEVHZAQ-ZFWWWQNUSA-N 2 1 290.407 2.407 20 0 CEADMP c1cc2cnccc2c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000647538784 395729277 /nfs/dbraw/zinc/72/92/77/395729277.db2.gz HNOYGJKQOSPWPP-KRWDZBQOSA-N 2 1 267.376 2.420 20 0 CEADMP FC(F)n1ccnc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542769 395731065 /nfs/dbraw/zinc/73/10/65/395731065.db2.gz BOZOAULXSVOMRT-CHWSQXEVSA-N 2 1 298.381 2.490 20 0 CEADMP FC(F)n1ccnc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542769 395731068 /nfs/dbraw/zinc/73/10/68/395731068.db2.gz BOZOAULXSVOMRT-CHWSQXEVSA-N 2 1 298.381 2.490 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@@H]1CCOC1 ZINC000647544007 395731666 /nfs/dbraw/zinc/73/16/66/395731666.db2.gz VKFNPQWVXDMASW-OAGGEKHMSA-N 2 1 266.429 2.125 20 0 CEADMP C(c1nc2c(s1)CCC2)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545808 395731959 /nfs/dbraw/zinc/73/19/59/395731959.db2.gz XWNVNZJVAAUMBY-OLZOCXBDSA-N 2 1 291.464 2.453 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ncccc1C(F)(F)F ZINC000647552330 395734094 /nfs/dbraw/zinc/73/40/94/395734094.db2.gz RUDGNODHVZSGHZ-DTWKUNHWSA-N 2 1 261.291 2.316 20 0 CEADMP COc1ccc(Br)cc1C1([NH2+]CCC[NH3+])CC1 ZINC000647552528 395734141 /nfs/dbraw/zinc/73/41/41/395734141.db2.gz DYVZXFSRRCJUDI-UHFFFAOYSA-N 2 1 299.212 2.385 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CC[C@H]4C[NH2+]C[C@H]4CC3)c2c1C ZINC000647708569 395747554 /nfs/dbraw/zinc/74/75/54/395747554.db2.gz QWQVJEHTLPEAQR-BETUJISGSA-N 2 1 285.395 2.011 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647793219 395755424 /nfs/dbraw/zinc/75/54/24/395755424.db2.gz PPNMFLLBBCYFLE-ZJPYXAASSA-N 3 1 293.499 2.332 20 0 CEADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000647872264 395766334 /nfs/dbraw/zinc/76/63/34/395766334.db2.gz PSGXBIHHURJYFJ-GJZGRUSLSA-N 2 1 290.407 2.148 20 0 CEADMP C[N@@H+](CCOc1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC000647872199 395766423 /nfs/dbraw/zinc/76/64/23/395766423.db2.gz GEBMFCITLVIDQC-LBPRGKRZSA-N 2 1 268.788 2.260 20 0 CEADMP CCCC[C@@H](C[NH3+])NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000647875045 395767105 /nfs/dbraw/zinc/76/71/05/395767105.db2.gz SRJDELPOFCAXPF-STQMWFEESA-N 2 1 280.416 2.030 20 0 CEADMP CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647886072 395769414 /nfs/dbraw/zinc/76/94/14/395769414.db2.gz NIZOZFQBAAUTKG-IAGOWNOFSA-N 2 1 276.424 2.115 20 0 CEADMP Fc1ccc(CC[N@@H+](C[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000647884917 395769434 /nfs/dbraw/zinc/76/94/34/395769434.db2.gz KHJOVQFLYNIOTB-AWEZNQCLSA-N 2 1 262.372 2.442 20 0 CEADMP C([C@H]1CC[NH2+]C1)[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000647889477 395769856 /nfs/dbraw/zinc/76/98/56/395769856.db2.gz USLMEBLIARDCGS-ZFWWWQNUSA-N 2 1 252.402 2.020 20 0 CEADMP Nc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647903714 395770622 /nfs/dbraw/zinc/77/06/22/395770622.db2.gz OPILRZQYIRDQHB-ZBFHGGJFSA-N 2 1 259.397 2.233 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904109 395770917 /nfs/dbraw/zinc/77/09/17/395770917.db2.gz WYIBANSHLOEGOO-DLBZAZTESA-N 3 1 279.472 2.230 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@](C)(OC)C2CC2)C1 ZINC000647910695 395771700 /nfs/dbraw/zinc/77/17/00/395771700.db2.gz ARIBMEMEXRFOTD-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@](C)(OC)C2CC2)C1 ZINC000647910695 395771701 /nfs/dbraw/zinc/77/17/01/395771701.db2.gz ARIBMEMEXRFOTD-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@](C)(OC)C2CC2)C1 ZINC000647910695 395771702 /nfs/dbraw/zinc/77/17/02/395771702.db2.gz ARIBMEMEXRFOTD-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000647966526 395789606 /nfs/dbraw/zinc/78/96/06/395789606.db2.gz WYZXIQHQPDIJNJ-SOUVJXGZSA-N 2 1 286.485 2.048 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000647966526 395789607 /nfs/dbraw/zinc/78/96/07/395789607.db2.gz WYZXIQHQPDIJNJ-SOUVJXGZSA-N 2 1 286.485 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000647966526 395789611 /nfs/dbraw/zinc/78/96/11/395789611.db2.gz WYZXIQHQPDIJNJ-SOUVJXGZSA-N 2 1 286.485 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000647966526 395789612 /nfs/dbraw/zinc/78/96/12/395789612.db2.gz WYZXIQHQPDIJNJ-SOUVJXGZSA-N 2 1 286.485 2.048 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000648137147 395843650 /nfs/dbraw/zinc/84/36/50/395843650.db2.gz JYPMLIPKIIIWFU-KBPBESRZSA-N 2 1 292.427 2.127 20 0 CEADMP c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647989939 395796478 /nfs/dbraw/zinc/79/64/78/395796478.db2.gz GOVRZNJEGJJJPY-GJZGRUSLSA-N 2 1 284.407 2.110 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000648450889 395911500 /nfs/dbraw/zinc/91/15/00/395911500.db2.gz SIHQRHXQFRLGRC-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000648450889 395911503 /nfs/dbraw/zinc/91/15/03/395911503.db2.gz SIHQRHXQFRLGRC-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP CCc1ccc2[nH+]ccc(N[C@H](C)[C@@H]3C[N@H+](C)CCO3)c2c1 ZINC000649304602 396117540 /nfs/dbraw/zinc/11/75/40/396117540.db2.gz LSJUGTZHXRGFIU-ACJLOTCBSA-N 2 1 299.418 2.350 20 0 CEADMP CCc1ccc2[nH+]ccc(N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)c2c1 ZINC000649304602 396117541 /nfs/dbraw/zinc/11/75/41/396117541.db2.gz LSJUGTZHXRGFIU-ACJLOTCBSA-N 2 1 299.418 2.350 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCC2CC[NH2+]CC2)CCN1C ZINC000649413964 396148129 /nfs/dbraw/zinc/14/81/29/396148129.db2.gz ZJJYFGQKZQEDMO-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000649413964 396148131 /nfs/dbraw/zinc/14/81/31/396148131.db2.gz ZJJYFGQKZQEDMO-ZBFHGGJFSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCC2CC[NH2+]CC2)CC[N@H+]1C ZINC000649413964 396148135 /nfs/dbraw/zinc/14/81/35/396148135.db2.gz ZJJYFGQKZQEDMO-ZBFHGGJFSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCCC2CC[NH2+]CC2)CC[NH+]1C ZINC000649413964 396148137 /nfs/dbraw/zinc/14/81/37/396148137.db2.gz ZJJYFGQKZQEDMO-ZBFHGGJFSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCC2CC[NH2+]CC2)CC[NH+]1C ZINC000649413964 396148140 /nfs/dbraw/zinc/14/81/40/396148140.db2.gz ZJJYFGQKZQEDMO-ZBFHGGJFSA-N 3 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CCC[NH2+]C ZINC000649414316 396148458 /nfs/dbraw/zinc/14/84/58/396148458.db2.gz SOFWYDRVJXUACU-OAHLLOKOSA-N 2 1 261.413 2.327 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCC2CC[NH2+]CC2)C1 ZINC000649414406 396148529 /nfs/dbraw/zinc/14/85/29/396148529.db2.gz YGUBVGLNVLCFTH-KRWDZBQOSA-N 3 1 281.488 2.430 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414406 396148533 /nfs/dbraw/zinc/14/85/33/396148533.db2.gz YGUBVGLNVLCFTH-KRWDZBQOSA-N 3 1 281.488 2.430 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414406 396148536 /nfs/dbraw/zinc/14/85/36/396148536.db2.gz YGUBVGLNVLCFTH-KRWDZBQOSA-N 3 1 281.488 2.430 20 0 CEADMP Cc1cncc(CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000649508072 396174722 /nfs/dbraw/zinc/17/47/22/396174722.db2.gz IRIWYFHTYSKJRL-UHFFFAOYSA-N 2 1 290.455 2.380 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](C2CCCCC2)CC1 ZINC000649552280 396187713 /nfs/dbraw/zinc/18/77/13/396187713.db2.gz COZMJVBJNUSDNQ-MRXNPFEDSA-N 2 1 265.445 2.031 20 0 CEADMP C[C@@H](CO)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000649803757 396261961 /nfs/dbraw/zinc/26/19/61/396261961.db2.gz PJYADLFHBOKNQE-GOEBONIOSA-N 2 1 268.445 2.201 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccnn1CC(C)C ZINC000647172922 396428446 /nfs/dbraw/zinc/42/84/46/396428446.db2.gz PKBQUNHKNLTPQB-UHFFFAOYSA-N 2 1 275.400 2.224 20 0 CEADMP COC1(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CCCC1 ZINC000361543941 292112300 /nfs/dbraw/zinc/11/23/00/292112300.db2.gz RHTLTTYPTDOHTH-ARFHVFGLSA-N 2 1 296.455 2.129 20 0 CEADMP CC1CCC(O)(C[NH+]2CCC3(CCC[N@H+]3C)CC2)CC1 ZINC000335306983 400351806 /nfs/dbraw/zinc/35/18/06/400351806.db2.gz WBOYAVNVQIEVBD-UHFFFAOYSA-N 2 1 280.456 2.488 20 0 CEADMP Cc1csc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)n1 ZINC000386375129 400526493 /nfs/dbraw/zinc/52/64/93/400526493.db2.gz BZARSFGQMJMECM-NWDGAFQWSA-N 2 1 253.415 2.114 20 0 CEADMP COCC1(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000386544519 400526961 /nfs/dbraw/zinc/52/69/61/400526961.db2.gz RWCROLKBUADAQI-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP COCC1(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CCC1 ZINC000386544519 400526965 /nfs/dbraw/zinc/52/69/65/400526965.db2.gz RWCROLKBUADAQI-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1csc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000650706659 400998727 /nfs/dbraw/zinc/99/87/27/400998727.db2.gz POKIPCJDHDUPNT-BFHYXJOUSA-N 2 1 295.452 2.170 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2cnc3ccccn23)[C@H]1CC[NH3+] ZINC000650711355 401001626 /nfs/dbraw/zinc/00/16/26/401001626.db2.gz QQURSVCGYOYXNV-ZFWWWQNUSA-N 2 1 272.396 2.284 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])nc1 ZINC000650711425 401001786 /nfs/dbraw/zinc/00/17/86/401001786.db2.gz TZDASSOAMLALAI-XJKSGUPXSA-N 2 1 277.412 2.430 20 0 CEADMP Cc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)nc1 ZINC000650717447 401008395 /nfs/dbraw/zinc/00/83/95/401008395.db2.gz AQRPNLLRLXARDK-UHFFFAOYSA-N 2 1 259.328 2.278 20 0 CEADMP c1ccc2c(c1)CC[C@H](CCN[C@H]1CCC[NH2+]C1)N2 ZINC000650720973 401009340 /nfs/dbraw/zinc/00/93/40/401009340.db2.gz KDUTURLODYFVGE-CABCVRRESA-N 2 1 259.397 2.145 20 0 CEADMP c1ccc2c(c1)CC[C@H](CC[NH2+][C@H]1CCC[NH2+]C1)N2 ZINC000650720973 401009344 /nfs/dbraw/zinc/00/93/44/401009344.db2.gz KDUTURLODYFVGE-CABCVRRESA-N 2 1 259.397 2.145 20 0 CEADMP CC(C)CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723492 401011077 /nfs/dbraw/zinc/01/10/77/401011077.db2.gz OZVNKZBVTXZGIF-ZNMIVQPWSA-N 2 1 254.418 2.393 20 0 CEADMP [NH3+]CCC[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000650724782 401012190 /nfs/dbraw/zinc/01/21/90/401012190.db2.gz MIIILJLSUCVZAV-JYJNAYRXSA-N 2 1 260.381 2.330 20 0 CEADMP [NH3+]CCC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000650724782 401012193 /nfs/dbraw/zinc/01/21/93/401012193.db2.gz MIIILJLSUCVZAV-JYJNAYRXSA-N 2 1 260.381 2.330 20 0 CEADMP CCOCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000336787018 286029123 /nfs/dbraw/zinc/02/91/23/286029123.db2.gz DBOMFIITKFMNQP-MGPQQGTHSA-N 2 1 256.434 2.367 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCO1 ZINC000651491439 401349249 /nfs/dbraw/zinc/34/92/49/401349249.db2.gz OMAFCRPYZTVUHI-UKRRQHHQSA-N 2 1 254.418 2.408 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000651929380 401416517 /nfs/dbraw/zinc/41/65/17/401416517.db2.gz LXHRDDTWLYYERW-INIZCTEOSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC1CC[NH+](CC2CC2)CC1 ZINC000651865882 401406387 /nfs/dbraw/zinc/40/63/87/401406387.db2.gz LFKFMXBDOYXELH-UHFFFAOYSA-N 2 1 281.488 2.428 20 0 CEADMP CCOCCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230030776 286054448 /nfs/dbraw/zinc/05/44/48/286054448.db2.gz QANZDLKCJXQQIW-UHFFFAOYSA-N 2 1 250.386 2.264 20 0 CEADMP Fc1ccc2c(c1F)C[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000652343770 401490983 /nfs/dbraw/zinc/49/09/83/401490983.db2.gz WYTYBNAUZMTKSH-LLVKDONJSA-N 2 1 266.335 2.323 20 0 CEADMP CC[N@H+]1C[C@H](N[C@@H](Cc2ccccc2)C[NH+](C)C)[C@@H](C)C1 ZINC000360141849 155225497 /nfs/dbraw/zinc/22/54/97/155225497.db2.gz URTVKZIBBAHDNX-SZMVWBNQSA-N 2 1 289.467 2.089 20 0 CEADMP CC[N@@H+]1C[C@H](N[C@@H](Cc2ccccc2)C[NH+](C)C)[C@@H](C)C1 ZINC000360141849 155225498 /nfs/dbraw/zinc/22/54/98/155225498.db2.gz URTVKZIBBAHDNX-SZMVWBNQSA-N 2 1 289.467 2.089 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1(C)C ZINC000361806408 286172602 /nfs/dbraw/zinc/17/26/02/286172602.db2.gz HUBJBGWGNSLSLY-PWNZVWSESA-N 2 1 254.418 2.120 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1(C)C ZINC000361806408 286172604 /nfs/dbraw/zinc/17/26/04/286172604.db2.gz HUBJBGWGNSLSLY-PWNZVWSESA-N 2 1 254.418 2.120 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccncc2)CCN1C ZINC000360455358 155303960 /nfs/dbraw/zinc/30/39/60/155303960.db2.gz NGKKHTFBDGZGDE-ZBFHGGJFSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2ccncc2)CC[N@@H+]1C ZINC000360455358 155303961 /nfs/dbraw/zinc/30/39/61/155303961.db2.gz NGKKHTFBDGZGDE-ZBFHGGJFSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2ccncc2)CC[N@H+]1C ZINC000360455358 155303962 /nfs/dbraw/zinc/30/39/62/155303962.db2.gz NGKKHTFBDGZGDE-ZBFHGGJFSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCCc2ccncc2)CC[NH+]1C ZINC000360455358 155303964 /nfs/dbraw/zinc/30/39/64/155303964.db2.gz NGKKHTFBDGZGDE-ZBFHGGJFSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccncc2)CC[NH+]1C ZINC000360455358 155303966 /nfs/dbraw/zinc/30/39/66/155303966.db2.gz NGKKHTFBDGZGDE-ZBFHGGJFSA-N 2 1 261.413 2.429 20 0 CEADMP Cc1n[nH]cc1CN1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000360790137 155372194 /nfs/dbraw/zinc/37/21/94/155372194.db2.gz AXXIZQIEXZJXEU-KSZLIROESA-N 2 1 296.418 2.453 20 0 CEADMP Cc1n[nH]cc1C[NH+]1C[C@@H]2C[N@@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000360790137 155372196 /nfs/dbraw/zinc/37/21/96/155372196.db2.gz AXXIZQIEXZJXEU-KSZLIROESA-N 2 1 296.418 2.453 20 0 CEADMP Cc1n[nH]cc1C[NH+]1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000360790137 155372200 /nfs/dbraw/zinc/37/22/00/155372200.db2.gz AXXIZQIEXZJXEU-KSZLIROESA-N 2 1 296.418 2.453 20 0 CEADMP Cc1n[nH]cc1C[N@H+]1C[C@@H]2C[NH+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000360790137 155372202 /nfs/dbraw/zinc/37/22/02/155372202.db2.gz AXXIZQIEXZJXEU-KSZLIROESA-N 2 1 296.418 2.453 20 0 CEADMP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2C[NH+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000360790137 155372205 /nfs/dbraw/zinc/37/22/05/155372205.db2.gz AXXIZQIEXZJXEU-KSZLIROESA-N 2 1 296.418 2.453 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)C2CCCCC2)CC[N@@H+]1C ZINC000190633420 153135966 /nfs/dbraw/zinc/13/59/66/153135966.db2.gz FGVAFCYKACXKGU-BPUTZDHNSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)C2CCCCC2)CC[N@H+]1C ZINC000190633420 153135971 /nfs/dbraw/zinc/13/59/71/153135971.db2.gz FGVAFCYKACXKGU-BPUTZDHNSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)C2CCCCC2)CC[NH+]1C ZINC000190633420 153135977 /nfs/dbraw/zinc/13/59/77/153135977.db2.gz FGVAFCYKACXKGU-BPUTZDHNSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)C2CCCCC2)CC[NH+]1C ZINC000190633420 153135982 /nfs/dbraw/zinc/13/59/82/153135982.db2.gz FGVAFCYKACXKGU-BPUTZDHNSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CC2CCCC2)CC[N@@H+]1C ZINC000190633275 153138424 /nfs/dbraw/zinc/13/84/24/153138424.db2.gz VOTIRIPTPOZUJX-VNQPRFMTSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CC2CCCC2)CC[N@H+]1C ZINC000190633275 153138428 /nfs/dbraw/zinc/13/84/28/153138428.db2.gz VOTIRIPTPOZUJX-VNQPRFMTSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CC2CCCC2)CC[NH+]1C ZINC000190633275 153138432 /nfs/dbraw/zinc/13/84/32/153138432.db2.gz VOTIRIPTPOZUJX-VNQPRFMTSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)CC2CCCC2)CC[NH+]1C ZINC000190633275 153138435 /nfs/dbraw/zinc/13/84/35/153138435.db2.gz VOTIRIPTPOZUJX-VNQPRFMTSA-N 2 1 268.445 2.342 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000191188507 153162095 /nfs/dbraw/zinc/16/20/95/153162095.db2.gz XFWYXSCZCOUFAH-UHFFFAOYSA-N 2 1 290.415 2.108 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C[C@H](C)c1ccccc1 ZINC000192950100 153224594 /nfs/dbraw/zinc/22/45/94/153224594.db2.gz VWKPOZXRGDPJAG-HNNXBMFYSA-N 2 1 264.413 2.348 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cncc(F)c1 ZINC000222048548 153312477 /nfs/dbraw/zinc/31/24/77/153312477.db2.gz MHAPCRQOOHUEEJ-NILFDRSVSA-N 2 1 263.360 2.498 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cncc(F)c1 ZINC000222048548 153312479 /nfs/dbraw/zinc/31/24/79/153312479.db2.gz MHAPCRQOOHUEEJ-NILFDRSVSA-N 2 1 263.360 2.498 20 0 CEADMP CC(C)[N@@H+](C)CCCNC1CC[NH+](C(C)C)CC1 ZINC000221926484 153313654 /nfs/dbraw/zinc/31/36/54/153313654.db2.gz VMAUMAWWBOSURQ-UHFFFAOYSA-N 2 1 255.450 2.179 20 0 CEADMP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000228081582 153360690 /nfs/dbraw/zinc/36/06/90/153360690.db2.gz ZEQVXXCKGLGVGJ-GJZGRUSLSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263243816 154041744 /nfs/dbraw/zinc/04/17/44/154041744.db2.gz PADZLRKZFXGCIS-HLLBOEOZSA-N 2 1 295.471 2.275 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292992754 154171609 /nfs/dbraw/zinc/17/16/09/154171609.db2.gz ODPQDBRWVQRHSJ-KRWDZBQOSA-N 2 1 289.423 2.316 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292992754 154171616 /nfs/dbraw/zinc/17/16/16/154171616.db2.gz ODPQDBRWVQRHSJ-KRWDZBQOSA-N 2 1 289.423 2.316 20 0 CEADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCCc3ccccc32)CCCO1 ZINC000313347459 154209979 /nfs/dbraw/zinc/20/99/79/154209979.db2.gz SBQZYWRBSIXZDI-HOCLYGCPSA-N 2 1 260.381 2.114 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000344008824 154264923 /nfs/dbraw/zinc/26/49/23/154264923.db2.gz ZLQZLYXCVMDFHO-RRFJBIMHSA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344008824 154264927 /nfs/dbraw/zinc/26/49/27/154264927.db2.gz ZLQZLYXCVMDFHO-RRFJBIMHSA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344008824 154264930 /nfs/dbraw/zinc/26/49/30/154264930.db2.gz ZLQZLYXCVMDFHO-RRFJBIMHSA-N 2 1 255.450 2.179 20 0 CEADMP CC[N@H+](C)CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000344613628 154278485 /nfs/dbraw/zinc/27/84/85/154278485.db2.gz CIYKBOUPIACNER-AWEZNQCLSA-N 2 1 297.830 2.011 20 0 CEADMP CC[N@@H+](C)CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000344613628 154278487 /nfs/dbraw/zinc/27/84/87/154278487.db2.gz CIYKBOUPIACNER-AWEZNQCLSA-N 2 1 297.830 2.011 20 0 CEADMP COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1F ZINC000346080436 154286973 /nfs/dbraw/zinc/28/69/73/154286973.db2.gz CZODGJCMYQAHND-GXTWGEPZSA-N 2 1 280.387 2.436 20 0 CEADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@@H]([NH3+])C2)cc1F ZINC000346080436 154286976 /nfs/dbraw/zinc/28/69/76/154286976.db2.gz CZODGJCMYQAHND-GXTWGEPZSA-N 2 1 280.387 2.436 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000346694667 154294410 /nfs/dbraw/zinc/29/44/10/154294410.db2.gz VMGJVLYKVBMKTP-HIFRSBDPSA-N 2 1 298.390 2.438 20 0 CEADMP CC[C@@H](C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000348993466 154307489 /nfs/dbraw/zinc/30/74/89/154307489.db2.gz HIIPHBBIPKVXSS-FUHWJXTLSA-N 2 1 287.451 2.160 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000349115459 154311960 /nfs/dbraw/zinc/31/19/60/154311960.db2.gz CZBCTRLMRHLLGG-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000349115459 154311962 /nfs/dbraw/zinc/31/19/62/154311962.db2.gz CZBCTRLMRHLLGG-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000349115459 154311966 /nfs/dbraw/zinc/31/19/66/154311966.db2.gz CZBCTRLMRHLLGG-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCOCCc3ccccc3)C[C@H]12 ZINC000351502018 154316331 /nfs/dbraw/zinc/31/63/31/154316331.db2.gz YSSZPFOEFKRTPO-OKZBNKHCSA-N 2 1 288.435 2.305 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCOCCc3ccccc3)C[C@H]12 ZINC000351502016 154317013 /nfs/dbraw/zinc/31/70/13/154317013.db2.gz YSSZPFOEFKRTPO-FGTMMUONSA-N 2 1 288.435 2.305 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)s1 ZINC000352735520 154330403 /nfs/dbraw/zinc/33/04/03/154330403.db2.gz HUPXJHBZUBRVJG-JSGCOSHPSA-N 2 1 295.452 2.252 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@]2(C)CCCC[C@H]2O)s1 ZINC000352753572 154332732 /nfs/dbraw/zinc/33/27/32/154332732.db2.gz FLEARNYUUDKSHC-UKRRQHHQSA-N 2 1 297.468 2.236 20 0 CEADMP C[C@H](O)CC(C)(C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352752795 154333130 /nfs/dbraw/zinc/33/31/30/154333130.db2.gz YWYJOVPMJHHYBF-NSHDSACASA-N 2 1 285.457 2.091 20 0 CEADMP COc1ccc2oc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000357073653 154372182 /nfs/dbraw/zinc/37/21/82/154372182.db2.gz HZOIRTVOQPFWCJ-TZMCWYRMSA-N 2 1 286.375 2.483 20 0 CEADMP COc1ccc2oc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000357073653 154372187 /nfs/dbraw/zinc/37/21/87/154372187.db2.gz HZOIRTVOQPFWCJ-TZMCWYRMSA-N 2 1 286.375 2.483 20 0 CEADMP CC(C)c1csc([C@H]2CCC[N@@H+](CCOCC[NH3+])C2)n1 ZINC000357079477 154372595 /nfs/dbraw/zinc/37/25/95/154372595.db2.gz SRLHTMPQBXKYAH-ZDUSSCGKSA-N 2 1 297.468 2.421 20 0 CEADMP CCCOc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000359471461 155025712 /nfs/dbraw/zinc/02/57/12/155025712.db2.gz IOBSOCXDXUTPOC-GJZGRUSLSA-N 2 1 290.407 2.135 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](c1ccccc1)[NH+](C)C ZINC000359582301 155064548 /nfs/dbraw/zinc/06/45/48/155064548.db2.gz DPMNQIVFXYRIMS-DJIMGWMZSA-N 2 1 275.440 2.219 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000359582301 155064555 /nfs/dbraw/zinc/06/45/55/155064555.db2.gz DPMNQIVFXYRIMS-DJIMGWMZSA-N 2 1 275.440 2.219 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000359582301 155064561 /nfs/dbraw/zinc/06/45/61/155064561.db2.gz DPMNQIVFXYRIMS-DJIMGWMZSA-N 2 1 275.440 2.219 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000359661220 155100411 /nfs/dbraw/zinc/10/04/11/155100411.db2.gz MZIGPXSPDKCLCQ-NXHRZFHOSA-N 2 1 287.451 2.363 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000359661220 155100413 /nfs/dbraw/zinc/10/04/13/155100413.db2.gz MZIGPXSPDKCLCQ-NXHRZFHOSA-N 2 1 287.451 2.363 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC2(OC)CCCC2)C1 ZINC000359696863 155114672 /nfs/dbraw/zinc/11/46/72/155114672.db2.gz QJUVFCWKECVYRL-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000359777220 155127344 /nfs/dbraw/zinc/12/73/44/155127344.db2.gz GCWHQXZEFFKXOE-JJXSEGSLSA-N 2 1 297.487 2.484 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000359781641 155129234 /nfs/dbraw/zinc/12/92/34/155129234.db2.gz FHVVENUFWKDWNN-ZIAGYGMSSA-N 2 1 285.476 2.390 20 0 CEADMP CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000363585050 156032839 /nfs/dbraw/zinc/03/28/39/156032839.db2.gz GFOAKUBDSSFILV-WCQYABFASA-N 2 1 280.803 2.077 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363950782 156054135 /nfs/dbraw/zinc/05/41/35/156054135.db2.gz QYERMDFFPJDAEL-FRFSOERESA-N 2 1 289.423 2.462 20 0 CEADMP CCc1noc(C)c1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363950782 156054136 /nfs/dbraw/zinc/05/41/36/156054136.db2.gz QYERMDFFPJDAEL-FRFSOERESA-N 2 1 289.423 2.462 20 0 CEADMP CCc1noc(C)c1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363950782 156054137 /nfs/dbraw/zinc/05/41/37/156054137.db2.gz QYERMDFFPJDAEL-FRFSOERESA-N 2 1 289.423 2.462 20 0 CEADMP CCc1noc(C)c1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363950782 156054138 /nfs/dbraw/zinc/05/41/38/156054138.db2.gz QYERMDFFPJDAEL-FRFSOERESA-N 2 1 289.423 2.462 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC2)[C@H]1c1ccccc1 ZINC000367019380 156115740 /nfs/dbraw/zinc/11/57/40/156115740.db2.gz BLLAGJKXXXOCSN-IXDOHACOSA-N 2 1 274.408 2.448 20 0 CEADMP CC(C)NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367130271 156136672 /nfs/dbraw/zinc/13/66/72/156136672.db2.gz YSGLVHRNRZSZBQ-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCOC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367198571 156147316 /nfs/dbraw/zinc/14/73/16/156147316.db2.gz CWJPVXFNJVNBJB-UHFFFAOYSA-N 2 1 282.428 2.138 20 0 CEADMP CCCCOC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367198571 156147319 /nfs/dbraw/zinc/14/73/19/156147319.db2.gz CWJPVXFNJVNBJB-UHFFFAOYSA-N 2 1 282.428 2.138 20 0 CEADMP C[C@H]1C[N@@H+](CCCCCF)CCN1C1CC[NH+](C)CC1 ZINC000367460011 156191522 /nfs/dbraw/zinc/19/15/22/156191522.db2.gz XTFZZKBZXSVEBP-HNNXBMFYSA-N 2 1 285.451 2.227 20 0 CEADMP C[N@H+]1CC[C@H](NCCC[NH+]2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000367612892 156211653 /nfs/dbraw/zinc/21/16/53/156211653.db2.gz BRERMVSOKYKDHZ-IKGGRYGDSA-N 2 1 279.472 2.325 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000367612892 156211655 /nfs/dbraw/zinc/21/16/55/156211655.db2.gz BRERMVSOKYKDHZ-IKGGRYGDSA-N 3 1 279.472 2.325 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000367612892 156211657 /nfs/dbraw/zinc/21/16/57/156211657.db2.gz BRERMVSOKYKDHZ-IKGGRYGDSA-N 3 1 279.472 2.325 20 0 CEADMP COc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367612655 156213339 /nfs/dbraw/zinc/21/33/39/156213339.db2.gz DSOAPSCQYMIXNX-RBSFLKMASA-N 2 1 275.396 2.053 20 0 CEADMP COc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367612655 156213342 /nfs/dbraw/zinc/21/33/42/156213342.db2.gz DSOAPSCQYMIXNX-RBSFLKMASA-N 2 1 275.396 2.053 20 0 CEADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCC1 ZINC000367611111 156215555 /nfs/dbraw/zinc/21/55/55/156215555.db2.gz ACALYPTVIIHSAK-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccn2)[C@@H]2CCC[C@@H]21 ZINC000367618933 156219047 /nfs/dbraw/zinc/21/90/47/156219047.db2.gz ULOVLBOAPVPUCP-JYJNAYRXSA-N 2 1 259.397 2.087 20 0 CEADMP Cc1cccnc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000368268781 156313126 /nfs/dbraw/zinc/31/31/26/156313126.db2.gz ZRTOBJCDWDUYEZ-HUUCEWRRSA-N 2 1 273.424 2.494 20 0 CEADMP CCCCOCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000368561706 156364101 /nfs/dbraw/zinc/36/41/01/156364101.db2.gz AYDOBZINQUEYGN-GVDBMIGSSA-N 2 1 298.471 2.282 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc3n2CCCC3)[C@H](C)C1 ZINC000375272693 157070255 /nfs/dbraw/zinc/07/02/55/157070255.db2.gz RPMMVPHAMBLDEF-UKRRQHHQSA-N 2 1 276.428 2.039 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnc3n2CCCC3)[C@H](C)C1 ZINC000375272693 157070257 /nfs/dbraw/zinc/07/02/57/157070257.db2.gz RPMMVPHAMBLDEF-UKRRQHHQSA-N 2 1 276.428 2.039 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]CC2(C)COC2)[C@@H]1c1cccs1 ZINC000375750803 157135485 /nfs/dbraw/zinc/13/54/85/157135485.db2.gz ONUOWYGVIPUTFI-GXTWGEPZSA-N 2 1 280.437 2.367 20 0 CEADMP CC(C)SCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000375963728 157169552 /nfs/dbraw/zinc/16/95/52/157169552.db2.gz SCQCKOTZPGKLSE-INIZCTEOSA-N 2 1 299.528 2.230 20 0 CEADMP C[N@@H+](C[C@H]1CCOC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376168405 157190723 /nfs/dbraw/zinc/19/07/23/157190723.db2.gz WMQKSBNWMIYYMM-MRXNPFEDSA-N 2 1 289.423 2.266 20 0 CEADMP C[N@H+]1CC[C@H](C(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000547825092 298380019 /nfs/dbraw/zinc/38/00/19/298380019.db2.gz UBEKRSRYFCCLOU-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC[NH3+])c1 ZINC000165344023 162344298 /nfs/dbraw/zinc/34/42/98/162344298.db2.gz FLWBBXJAXXWKNW-UHFFFAOYSA-N 2 1 286.379 2.342 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCCO1 ZINC000356676670 287013404 /nfs/dbraw/zinc/01/34/04/287013404.db2.gz CKRFMFAGXWVUBU-IUODEOHRSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000333284618 287016982 /nfs/dbraw/zinc/01/69/82/287016982.db2.gz NBHSAEAUZSXDJE-NEPJUHHUSA-N 2 1 253.390 2.202 20 0 CEADMP C[C@@H](NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400440794 287023513 /nfs/dbraw/zinc/02/35/13/287023513.db2.gz ODDWZNZAMIPHSM-ZBFHGGJFSA-N 2 1 267.461 2.371 20 0 CEADMP CC[C@@H]1COCC[N@H+]1CCCCC[NH+]1CCOC[C@@H]1CC ZINC000172658435 165061035 /nfs/dbraw/zinc/06/10/35/165061035.db2.gz CFDAPVGNTZDARY-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CC[C@@H]1COCC[N@@H+]1CCCCC[NH+]1CCOC[C@@H]1CC ZINC000172658435 165061039 /nfs/dbraw/zinc/06/10/39/165061039.db2.gz CFDAPVGNTZDARY-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CC[C@@H]1C[NH+](CCCCC[N@H+]2CCO[C@H](CC)C2)CCO1 ZINC000172649522 165062524 /nfs/dbraw/zinc/06/25/24/165062524.db2.gz VDTHDEMOHZTDNP-IAGOWNOFSA-N 2 1 298.471 2.378 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C2([NH3+])CCCC2)c1 ZINC000178728023 165254855 /nfs/dbraw/zinc/25/48/55/165254855.db2.gz PNYRQDCEVGMECX-UHFFFAOYSA-N 2 1 289.423 2.026 20 0 CEADMP Cc1cnn([C@@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000179269576 165274430 /nfs/dbraw/zinc/27/44/30/165274430.db2.gz BPUMTRNDKAZGBY-MRXNPFEDSA-N 2 1 276.428 2.314 20 0 CEADMP Cc1cnn([C@@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000179269576 165274434 /nfs/dbraw/zinc/27/44/34/165274434.db2.gz BPUMTRNDKAZGBY-MRXNPFEDSA-N 2 1 276.428 2.314 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)C1 ZINC000182554726 165374983 /nfs/dbraw/zinc/37/49/83/165374983.db2.gz LBBWKKRPCICOEH-STQMWFEESA-N 2 1 270.417 2.038 20 0 CEADMP Cc1ccc([C@@H]2C[N@H+](CCCn3ccnc3)CCO2)o1 ZINC000183063992 165383002 /nfs/dbraw/zinc/38/30/02/165383002.db2.gz KLRVPEMPOCEAGB-HNNXBMFYSA-N 2 1 275.352 2.248 20 0 CEADMP Cc1ccc([C@@H]2C[N@@H+](CCCn3ccnc3)CCO2)o1 ZINC000183063992 165383004 /nfs/dbraw/zinc/38/30/04/165383004.db2.gz KLRVPEMPOCEAGB-HNNXBMFYSA-N 2 1 275.352 2.248 20 0 CEADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000020187472 171051870 /nfs/dbraw/zinc/05/18/70/171051870.db2.gz PRKAHOUUVLXKEN-GFCCVEGCSA-N 2 1 275.396 2.390 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000285126031 196202184 /nfs/dbraw/zinc/20/21/84/196202184.db2.gz LEMSFOZPPWGPGI-HNNXBMFYSA-N 2 1 275.400 2.093 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000340124863 287266327 /nfs/dbraw/zinc/26/63/27/287266327.db2.gz HHRMQKDOVPHOIG-BZUAXINKSA-N 2 1 295.471 2.132 20 0 CEADMP CN(CCC[N@@H+](C)CC1CCOCC1)Cc1ccco1 ZINC000285528428 196315670 /nfs/dbraw/zinc/31/56/70/196315670.db2.gz FHNNXMWFBJSKGD-UHFFFAOYSA-N 2 1 280.412 2.460 20 0 CEADMP COc1cc(C)[nH+]c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000285539545 196319652 /nfs/dbraw/zinc/31/96/52/196319652.db2.gz PTLQVYMBVQJWED-XYPWUTKMSA-N 2 1 289.423 2.456 20 0 CEADMP COc1cc(C)[nH+]c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000285539545 196319654 /nfs/dbraw/zinc/31/96/54/196319654.db2.gz PTLQVYMBVQJWED-XYPWUTKMSA-N 2 1 289.423 2.456 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]CCC[NH+]1CCCC1 ZINC000037229439 173049118 /nfs/dbraw/zinc/04/91/18/173049118.db2.gz XHTBOQZVKLFZLG-UHFFFAOYSA-N 2 1 272.396 2.218 20 0 CEADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](C)CC1 ZINC000037267125 173077155 /nfs/dbraw/zinc/07/71/55/173077155.db2.gz WRAOJEYKUMIHBA-ZDUSSCGKSA-N 2 1 290.407 2.420 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@H](CC)CO1 ZINC000403788017 414767836 /nfs/dbraw/zinc/76/78/36/414767836.db2.gz HTSIDPSVJPZVEV-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cn1 ZINC000404522609 414786906 /nfs/dbraw/zinc/78/69/06/414786906.db2.gz XILPLDZFGUOZQK-UKRRQHHQSA-N 2 1 264.417 2.413 20 0 CEADMP CCO[C@@H]1C[N@@H+](C[C@@H](C)c2ccccc2)C[C@H]1C[NH3+] ZINC000405302027 414794649 /nfs/dbraw/zinc/79/46/49/414794649.db2.gz OHIJBKJLLOBEIZ-FVQBIDKESA-N 2 1 262.397 2.086 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000657175077 414796578 /nfs/dbraw/zinc/79/65/78/414796578.db2.gz XSOTWNINSHGAGD-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2-n2cncn2)C1 ZINC000657182820 414798792 /nfs/dbraw/zinc/79/87/92/414798792.db2.gz CIHSJIPNLULVQP-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP C[C@H]1CC[C@@H](C[NH+]2CCC([NH2+]CC3CC3)CC2)O1 ZINC000129404336 414811864 /nfs/dbraw/zinc/81/18/64/414811864.db2.gz PRLMCICDVCAULA-WFASDCNBSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1CCC1 ZINC000660422519 414814215 /nfs/dbraw/zinc/81/42/15/414814215.db2.gz DYWQIGNUGFFTCC-HNNXBMFYSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](CC1CCC1)C(C)C ZINC000660422519 414814221 /nfs/dbraw/zinc/81/42/21/414814221.db2.gz DYWQIGNUGFFTCC-HNNXBMFYSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CC1CCC1)C(C)C ZINC000660422519 414814224 /nfs/dbraw/zinc/81/42/24/414814224.db2.gz DYWQIGNUGFFTCC-HNNXBMFYSA-N 2 1 256.434 2.198 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000657286461 414831543 /nfs/dbraw/zinc/83/15/43/414831543.db2.gz XPLHPRGSYZMGGK-UHFFFAOYSA-N 2 1 278.444 2.365 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657294740 414840897 /nfs/dbraw/zinc/84/08/97/414840897.db2.gz KHIYSNGHUCOAGH-CABCVRRESA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657294740 414840902 /nfs/dbraw/zinc/84/09/02/414840902.db2.gz KHIYSNGHUCOAGH-CABCVRRESA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657294740 414840906 /nfs/dbraw/zinc/84/09/06/414840906.db2.gz KHIYSNGHUCOAGH-CABCVRRESA-N 2 1 263.385 2.083 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2c(C)nn(CC)c2C)CC[C@H]1[NH3+] ZINC000307977266 414853499 /nfs/dbraw/zinc/85/34/99/414853499.db2.gz XWHGNFJJISGGIW-UKRRQHHQSA-N 2 1 264.417 2.079 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2c(C)nn(CC)c2C)CC[C@H]1[NH3+] ZINC000307977266 414853504 /nfs/dbraw/zinc/85/35/04/414853504.db2.gz XWHGNFJJISGGIW-UKRRQHHQSA-N 2 1 264.417 2.079 20 0 CEADMP CCn1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000307967865 414853636 /nfs/dbraw/zinc/85/36/36/414853636.db2.gz TYZGZRBAQRKVQJ-RDJZCZTQSA-N 2 1 290.455 2.484 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000307967865 414853641 /nfs/dbraw/zinc/85/36/41/414853641.db2.gz TYZGZRBAQRKVQJ-RDJZCZTQSA-N 2 1 290.455 2.484 20 0 CEADMP C[C@H](C[NH2+]Cc1c(C2CC2)cnn1C)C[NH+]1CCCC1 ZINC000657319118 414858363 /nfs/dbraw/zinc/85/83/63/414858363.db2.gz SJKPSQYDTXYLBK-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)[C@H](O)C(F)(F)F ZINC000660524298 414858994 /nfs/dbraw/zinc/85/89/94/414858994.db2.gz ARZPKBKXXGBYKW-WOPDTQHZSA-N 2 1 282.350 2.008 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655398 414919461 /nfs/dbraw/zinc/91/94/61/414919461.db2.gz LYIWUIPGABKZPU-YOEHRIQHSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000660661217 414922861 /nfs/dbraw/zinc/92/28/61/414922861.db2.gz BVYVGVXIBSBWRV-KURKYZTESA-N 2 1 293.499 2.382 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347060 414925480 /nfs/dbraw/zinc/92/54/80/414925480.db2.gz HGFXGTUFDYWDHS-MRXNPFEDSA-N 2 1 290.455 2.249 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347060 414925483 /nfs/dbraw/zinc/92/54/83/414925483.db2.gz HGFXGTUFDYWDHS-MRXNPFEDSA-N 2 1 290.455 2.249 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCCN(CCc1cncs1)C2 ZINC000660665718 414927305 /nfs/dbraw/zinc/92/73/05/414927305.db2.gz XMHILJVXKLJOIV-AWEZNQCLSA-N 2 1 265.426 2.103 20 0 CEADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1cncs1)C2 ZINC000660665718 414927309 /nfs/dbraw/zinc/92/73/09/414927309.db2.gz XMHILJVXKLJOIV-AWEZNQCLSA-N 2 1 265.426 2.103 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1cncs1)C2 ZINC000660665718 414927312 /nfs/dbraw/zinc/92/73/12/414927312.db2.gz XMHILJVXKLJOIV-AWEZNQCLSA-N 2 1 265.426 2.103 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(CO)cc1)C2 ZINC000660665871 414928087 /nfs/dbraw/zinc/92/80/87/414928087.db2.gz YJSYDTRHAAUBNW-QGZVFWFLSA-N 2 1 274.408 2.097 20 0 CEADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(CO)cc1)C2 ZINC000660665871 414928091 /nfs/dbraw/zinc/92/80/91/414928091.db2.gz YJSYDTRHAAUBNW-QGZVFWFLSA-N 2 1 274.408 2.097 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(CO)cc1)C2 ZINC000660665871 414928094 /nfs/dbraw/zinc/92/80/94/414928094.db2.gz YJSYDTRHAAUBNW-QGZVFWFLSA-N 2 1 274.408 2.097 20 0 CEADMP CC(C)COCCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665676 414928807 /nfs/dbraw/zinc/92/88/07/414928807.db2.gz XDIINEZNQBRBFZ-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CC(C)COCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665676 414928811 /nfs/dbraw/zinc/92/88/11/414928811.db2.gz XDIINEZNQBRBFZ-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CC(C)COCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665676 414928815 /nfs/dbraw/zinc/92/88/15/414928815.db2.gz XDIINEZNQBRBFZ-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP c1cc2c(cc[nH+]c2N2CC[N@@H+]3CCCC[C@H]3C2)[nH]1 ZINC000663384250 414937409 /nfs/dbraw/zinc/93/74/09/414937409.db2.gz FUAWUEMNIJFHNT-LBPRGKRZSA-N 2 1 256.353 2.237 20 0 CEADMP Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000042341528 174691691 /nfs/dbraw/zinc/69/16/91/174691691.db2.gz NBTZACRQLKCNJK-GJZGRUSLSA-N 2 1 262.397 2.102 20 0 CEADMP CCCn1nccc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000657492566 414970717 /nfs/dbraw/zinc/97/07/17/414970717.db2.gz XRDGYVFPAKBCMC-CQSZACIVSA-N 2 1 264.417 2.115 20 0 CEADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1nc2c(s1)CCCC2 ZINC000663498742 414971803 /nfs/dbraw/zinc/97/18/03/414971803.db2.gz FICAZSFXUCGIRY-LLVKDONJSA-N 2 1 267.442 2.485 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663497287 414972154 /nfs/dbraw/zinc/97/21/54/414972154.db2.gz CTMLBAXQINPNDL-JOKDJRIQSA-N 2 1 285.435 2.164 20 0 CEADMP CCn1nccc1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000663513527 414979045 /nfs/dbraw/zinc/97/90/45/414979045.db2.gz KYPRHZZRUGRYOZ-UONOGXRCSA-N 2 1 264.417 2.303 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000663514867 414979178 /nfs/dbraw/zinc/97/91/78/414979178.db2.gz VBLPGJKOQGFVEP-HRCADAONSA-N 2 1 266.429 2.252 20 0 CEADMP CCn1nccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000663514920 414979345 /nfs/dbraw/zinc/97/93/45/414979345.db2.gz WCZSKOCKDQSMPG-WBVHZDCISA-N 2 1 284.407 2.486 20 0 CEADMP Fc1cccc(F)c1CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000653502198 415017484 /nfs/dbraw/zinc/01/74/84/415017484.db2.gz ZROZNPKXENLGFD-VXGBXAGGSA-N 2 1 266.335 2.049 20 0 CEADMP CC[C@@H]1C[N@@H+](CC)CCN1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660734990 414950279 /nfs/dbraw/zinc/95/02/79/414950279.db2.gz GLBQRFUBBHVYOI-IXDOHACOSA-N 2 1 281.488 2.380 20 0 CEADMP CC[C@@H]1C[NH+](CC)CCN1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660734990 414950285 /nfs/dbraw/zinc/95/02/85/414950285.db2.gz GLBQRFUBBHVYOI-IXDOHACOSA-N 2 1 281.488 2.380 20 0 CEADMP CC[C@@H]1C[NH+](CC)CCN1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660734990 414950291 /nfs/dbraw/zinc/95/02/91/414950291.db2.gz GLBQRFUBBHVYOI-IXDOHACOSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@@H]([NH2+]CCOCCF)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663462517 414961377 /nfs/dbraw/zinc/96/13/77/414961377.db2.gz PCIMMZFEHIADKV-NVXWUHKLSA-N 2 1 294.414 2.473 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cn[nH]c1 ZINC000663465975 414963339 /nfs/dbraw/zinc/96/33/39/414963339.db2.gz MLGGVFZMAPUPKE-TZMCWYRMSA-N 2 1 262.401 2.182 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cn[nH]c1 ZINC000663465975 414963342 /nfs/dbraw/zinc/96/33/42/414963342.db2.gz MLGGVFZMAPUPKE-TZMCWYRMSA-N 2 1 262.401 2.182 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)CC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000660760260 414963605 /nfs/dbraw/zinc/96/36/05/414963605.db2.gz NRYZKUMXHUEVGT-ZACQAIPSSA-N 2 1 281.488 2.379 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)[C@@H](C)C1 ZINC000663472229 414966266 /nfs/dbraw/zinc/96/62/66/414966266.db2.gz ZVMXBJGONLLQID-SZMVWBNQSA-N 3 1 293.499 2.428 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)[C@@H](C)C1 ZINC000663472229 414966269 /nfs/dbraw/zinc/96/62/69/414966269.db2.gz ZVMXBJGONLLQID-SZMVWBNQSA-N 2 1 293.499 2.428 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@@H](C)C1 ZINC000663472229 414966275 /nfs/dbraw/zinc/96/62/75/414966275.db2.gz ZVMXBJGONLLQID-SZMVWBNQSA-N 2 1 293.499 2.428 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)[C@@H](C)C1 ZINC000663472229 414966280 /nfs/dbraw/zinc/96/62/80/414966280.db2.gz ZVMXBJGONLLQID-SZMVWBNQSA-N 3 1 293.499 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)[C@@H](C)C1 ZINC000663472229 414966286 /nfs/dbraw/zinc/96/62/86/414966286.db2.gz ZVMXBJGONLLQID-SZMVWBNQSA-N 3 1 293.499 2.428 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)[C@@H](C)C1 ZINC000663472229 414966289 /nfs/dbraw/zinc/96/62/89/414966289.db2.gz ZVMXBJGONLLQID-SZMVWBNQSA-N 3 1 293.499 2.428 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@@H](C)C1 ZINC000663472229 414966294 /nfs/dbraw/zinc/96/62/94/414966294.db2.gz ZVMXBJGONLLQID-SZMVWBNQSA-N 3 1 293.499 2.428 20 0 CEADMP CC[NH+](CC)CCC[N@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661092995 415092840 /nfs/dbraw/zinc/09/28/40/415092840.db2.gz LFASINRRRDDGHC-QGZVFWFLSA-N 2 1 278.440 2.254 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661092995 415092844 /nfs/dbraw/zinc/09/28/44/415092844.db2.gz LFASINRRRDDGHC-QGZVFWFLSA-N 2 1 278.440 2.254 20 0 CEADMP C[C@@H](CNc1[nH+]ccc2[nH]ccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000664074008 415154269 /nfs/dbraw/zinc/15/42/69/415154269.db2.gz IMYYBKASOYFRPC-RWMBFGLXSA-N 2 1 288.395 2.473 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657833330 415098187 /nfs/dbraw/zinc/09/81/87/415098187.db2.gz JIPUPVRHKOIUDM-LLVKDONJSA-N 2 1 266.376 2.224 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000653779758 415101707 /nfs/dbraw/zinc/10/17/07/415101707.db2.gz ASGVLYKVSARRLY-XJKSGUPXSA-N 2 1 294.414 2.100 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000653779758 415101713 /nfs/dbraw/zinc/10/17/13/415101713.db2.gz ASGVLYKVSARRLY-XJKSGUPXSA-N 2 1 294.414 2.100 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C1CC(CF)(CF)C1 ZINC000657846229 415103402 /nfs/dbraw/zinc/10/34/02/415103402.db2.gz OXWKVILJCXIQJS-UHFFFAOYSA-N 2 1 257.328 2.259 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C(C)(C)C(F)F ZINC000657878196 415112411 /nfs/dbraw/zinc/11/24/11/415112411.db2.gz FDASMRPRLPSHGI-OLZOCXBDSA-N 2 1 292.414 2.493 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000657908356 415120529 /nfs/dbraw/zinc/12/05/29/415120529.db2.gz IANLIKPUCIOSSD-CQSZACIVSA-N 2 1 262.401 2.180 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000658033869 415166584 /nfs/dbraw/zinc/16/65/84/415166584.db2.gz BKQVYKFUCMYYNT-IRXDYDNUSA-N 2 1 298.471 2.140 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccn1 ZINC000658066875 415187166 /nfs/dbraw/zinc/18/71/66/415187166.db2.gz PYTGZXIQJKHBOG-ZDUSSCGKSA-N 2 1 259.397 2.402 20 0 CEADMP CC[C@H](COCC1CC1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000658091552 415204959 /nfs/dbraw/zinc/20/49/59/415204959.db2.gz UGVCFURATBNXAH-YUELXQCFSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](COCC1CC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000658091552 415204966 /nfs/dbraw/zinc/20/49/66/415204966.db2.gz UGVCFURATBNXAH-YUELXQCFSA-N 2 1 254.418 2.264 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OCC)C2)[C@@H](C)C1 ZINC000658163967 415241421 /nfs/dbraw/zinc/24/14/21/415241421.db2.gz ULVMFXWIYMFQER-QAETUUGQSA-N 2 1 298.471 2.281 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000661443233 415268996 /nfs/dbraw/zinc/26/89/96/415268996.db2.gz MYZIIOIMUAKXJY-HOCLYGCPSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000661443233 415269002 /nfs/dbraw/zinc/26/90/02/415269002.db2.gz MYZIIOIMUAKXJY-HOCLYGCPSA-N 2 1 279.428 2.455 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2(C)C)[C@@H]2CCC[C@H]21 ZINC000658329407 415318587 /nfs/dbraw/zinc/31/85/87/415318587.db2.gz FMEDIGFIEXZKIE-ZQDZILKHSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)C2)cc1 ZINC000658349898 415329936 /nfs/dbraw/zinc/32/99/36/415329936.db2.gz LQWGJIFBVCNGEA-PJODQICGSA-N 2 1 271.364 2.355 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000658354942 415335700 /nfs/dbraw/zinc/33/57/00/415335700.db2.gz GKBYQUKBYLUZQR-YJBOKZPZSA-N 3 1 293.499 2.428 20 0 CEADMP CCN1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000658354942 415335709 /nfs/dbraw/zinc/33/57/09/415335709.db2.gz GKBYQUKBYLUZQR-YJBOKZPZSA-N 2 1 293.499 2.428 20 0 CEADMP C(CC1CCCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655696440 415393768 /nfs/dbraw/zinc/39/37/68/415393768.db2.gz PMKDUBVKORWTNM-MRXNPFEDSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CS1 ZINC000655697948 415394990 /nfs/dbraw/zinc/39/49/90/415394990.db2.gz SFBNXWQZNSDUTJ-YPMHNXCESA-N 2 1 254.443 2.487 20 0 CEADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000655707409 415401127 /nfs/dbraw/zinc/40/11/27/415401127.db2.gz QUROLSZHTUWUFM-OAHLLOKOSA-N 2 1 252.402 2.020 20 0 CEADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C1CC1)C1CC1 ZINC000655718189 415407812 /nfs/dbraw/zinc/40/78/12/415407812.db2.gz LBXJVOHTZIWYRJ-MRXNPFEDSA-N 2 1 278.440 2.266 20 0 CEADMP CCCC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655733912 415419619 /nfs/dbraw/zinc/41/96/19/415419619.db2.gz VAMUNQDONLCFAW-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP FC1(F)CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655735434 415422484 /nfs/dbraw/zinc/42/24/84/415422484.db2.gz VKWBCLAKEDWAFU-KBPBESRZSA-N 2 1 288.382 2.407 20 0 CEADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CCCCS1 ZINC000655754967 415438261 /nfs/dbraw/zinc/43/82/61/415438261.db2.gz ZGCMSUOMQUDLCL-LSDHHAIUSA-N 2 1 284.469 2.115 20 0 CEADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000655754975 415439152 /nfs/dbraw/zinc/43/91/52/415439152.db2.gz ZLLPGPNPIKZBBS-VYDXJSESSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CS1 ZINC000655772337 415451082 /nfs/dbraw/zinc/45/10/82/415451082.db2.gz NOKDUARZWNQPAN-YJBUHQLJSA-N 2 1 254.443 2.485 20 0 CEADMP C1=C(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000655771148 415452460 /nfs/dbraw/zinc/45/24/60/415452460.db2.gz BFRXQUONCKDMFH-INIZCTEOSA-N 2 1 264.413 2.330 20 0 CEADMP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655774769 415456250 /nfs/dbraw/zinc/45/62/50/415456250.db2.gz GMUDUBKNSFRMER-BRWVUGGUSA-N 2 1 296.455 2.177 20 0 CEADMP CO[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)CC(C)C ZINC000655777324 415458590 /nfs/dbraw/zinc/45/85/90/415458590.db2.gz TXIUOASJRNRZFS-IAGOWNOFSA-N 2 1 298.471 2.281 20 0 CEADMP CCC[C@H](C)[C@@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655792546 415473105 /nfs/dbraw/zinc/47/31/05/415473105.db2.gz LAMQQLALSSCXCQ-USXIJHARSA-N 2 1 298.471 2.017 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655834560 415508738 /nfs/dbraw/zinc/50/87/38/415508738.db2.gz DQIUZCPJYRBNDX-FVQBIDKESA-N 2 1 259.397 2.229 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655848180 415518122 /nfs/dbraw/zinc/51/81/22/415518122.db2.gz GQCOEIMJMRIYNJ-IAGOWNOFSA-N 2 1 279.472 2.467 20 0 CEADMP c1ccc2c(CC[NH+]3CCC4(CC[NH2+]4)CC3)noc2c1 ZINC000655939877 415559194 /nfs/dbraw/zinc/55/91/94/415559194.db2.gz MBVXKNRIVYWWRT-UHFFFAOYSA-N 2 1 271.364 2.198 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H]1CC[NH2+]C1 ZINC000655948832 415563705 /nfs/dbraw/zinc/56/37/05/415563705.db2.gz FOSNMTHMKZXDMT-LLVKDONJSA-N 2 1 284.306 2.049 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H]1CC[NH2+]C1 ZINC000655948832 415563713 /nfs/dbraw/zinc/56/37/13/415563713.db2.gz FOSNMTHMKZXDMT-LLVKDONJSA-N 2 1 284.306 2.049 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659436622 415572774 /nfs/dbraw/zinc/57/27/74/415572774.db2.gz WJAFDRIPTDBIHX-AWEZNQCLSA-N 2 1 298.475 2.020 20 0 CEADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000656194920 415628754 /nfs/dbraw/zinc/62/87/54/415628754.db2.gz UVWRBKFQZGPHTP-BZPMIXESSA-N 2 1 276.380 2.106 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659452193 415580344 /nfs/dbraw/zinc/58/03/44/415580344.db2.gz NLOOTHKTKABCQX-CQSZACIVSA-N 2 1 298.475 2.020 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252557 415649987 /nfs/dbraw/zinc/64/99/87/415649987.db2.gz SJSJBHSFLIPPPX-MXASKKJJSA-N 2 1 274.408 2.147 20 0 CEADMP c1ccc([C@H]2CC[NH2+]C[C@H]2N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000665251310 415650325 /nfs/dbraw/zinc/65/03/25/415650325.db2.gz MOBUTQISPKWEAE-FCGDIQPGSA-N 2 1 299.462 2.349 20 0 CEADMP CCc1cccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662151229 415656227 /nfs/dbraw/zinc/65/62/27/415656227.db2.gz GPOKHDKJHYSLKM-GOSISDBHSA-N 2 1 288.435 2.280 20 0 CEADMP CCc1cccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662151229 415656235 /nfs/dbraw/zinc/65/62/35/415656235.db2.gz GPOKHDKJHYSLKM-GOSISDBHSA-N 2 1 288.435 2.280 20 0 CEADMP CCc1cccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662151229 415656243 /nfs/dbraw/zinc/65/62/43/415656243.db2.gz GPOKHDKJHYSLKM-GOSISDBHSA-N 2 1 288.435 2.280 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665266543 415658379 /nfs/dbraw/zinc/65/83/79/415658379.db2.gz DTPXMWBTZJOQFT-DZKIICNBSA-N 2 1 265.445 2.110 20 0 CEADMP Cc1ccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c(C)c1 ZINC000662148976 415658502 /nfs/dbraw/zinc/65/85/02/415658502.db2.gz MHHKNKMARPQMIJ-SFHVURJKSA-N 2 1 288.435 2.334 20 0 CEADMP Cc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(C)c1 ZINC000662148976 415658507 /nfs/dbraw/zinc/65/85/07/415658507.db2.gz MHHKNKMARPQMIJ-SFHVURJKSA-N 2 1 288.435 2.334 20 0 CEADMP Cc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c(C)c1 ZINC000662148976 415658510 /nfs/dbraw/zinc/65/85/10/415658510.db2.gz MHHKNKMARPQMIJ-SFHVURJKSA-N 2 1 288.435 2.334 20 0 CEADMP O[C@H]1CC[N@H+](C2CCN([C@@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000662147404 415658954 /nfs/dbraw/zinc/65/89/54/415658954.db2.gz FSVKXBXOZIQYQF-RCCFBDPRSA-N 2 1 286.419 2.074 20 0 CEADMP O[C@H]1CC[N@@H+](C2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000662147404 415658961 /nfs/dbraw/zinc/65/89/61/415658961.db2.gz FSVKXBXOZIQYQF-RCCFBDPRSA-N 2 1 286.419 2.074 20 0 CEADMP O[C@H]1CC[N@H+](C2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000662147404 415658965 /nfs/dbraw/zinc/65/89/65/415658965.db2.gz FSVKXBXOZIQYQF-RCCFBDPRSA-N 2 1 286.419 2.074 20 0 CEADMP C1C[C@H]2CC(N[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]1[NH2+]2 ZINC000665267289 415661274 /nfs/dbraw/zinc/66/12/74/415661274.db2.gz UBYYOINCWVIRQL-IUOOZAAYSA-N 2 1 277.456 2.266 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000662164546 415665675 /nfs/dbraw/zinc/66/56/75/415665675.db2.gz FXCNBISILDBGPB-HNNXBMFYSA-N 2 1 295.333 2.183 20 0 CEADMP CC(C)CO[C@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1(C)C ZINC000665279188 415669817 /nfs/dbraw/zinc/66/98/17/415669817.db2.gz YUASNFRRQHBIJS-WJEHIRDRSA-N 2 1 266.429 2.168 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000665282933 415672930 /nfs/dbraw/zinc/67/29/30/415672930.db2.gz DZLJJSFYNLEDCT-JQWIXIFHSA-N 2 1 298.333 2.486 20 0 CEADMP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665300016 415688710 /nfs/dbraw/zinc/68/87/10/415688710.db2.gz WMJWLVXEIXNPDO-VSZNYVQBSA-N 3 1 291.483 2.086 20 0 CEADMP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1c[nH+]ccc1N ZINC000665299528 415688828 /nfs/dbraw/zinc/68/88/28/415688828.db2.gz OSBDQLLPGNMGGH-ZDUSSCGKSA-N 3 1 288.439 2.267 20 0 CEADMP CC(C)(C)C[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254211 415719776 /nfs/dbraw/zinc/71/97/76/415719776.db2.gz OEWAKVUXNPLNTF-UONOGXRCSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCC(C)(C)CC1 ZINC000662256933 415724741 /nfs/dbraw/zinc/72/47/41/415724741.db2.gz ZQUHORHJXLWLGL-CQSZACIVSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256578 415725434 /nfs/dbraw/zinc/72/54/34/415725434.db2.gz WADYVCCNVZSTML-NVXWUHKLSA-N 2 1 288.435 2.379 20 0 CEADMP c1ccc2c(c1)CC[C@H]2CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659851036 415733154 /nfs/dbraw/zinc/73/31/54/415733154.db2.gz XWKXDLLELKEYKR-HRCADAONSA-N 2 1 256.393 2.258 20 0 CEADMP C[C@@H]1c2ccsc2CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249733 415710659 /nfs/dbraw/zinc/71/06/59/415710659.db2.gz YZXCWUGLSFFLFY-VXGBXAGGSA-N 2 1 278.421 2.188 20 0 CEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250416 415712953 /nfs/dbraw/zinc/71/29/53/415712953.db2.gz HKYYPOLBLZYCEC-UONOGXRCSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH2+][C@H](C)c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656456286 415714704 /nfs/dbraw/zinc/71/47/04/415714704.db2.gz XCUZVDHEQGCWMI-HIFRSBDPSA-N 2 1 285.395 2.006 20 0 CEADMP CC[C@](C)([NH3+])c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455507 415715034 /nfs/dbraw/zinc/71/50/34/415715034.db2.gz JUCVNDBAFSLFRQ-WBVHZDCISA-N 2 1 299.422 2.309 20 0 CEADMP C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662250830 415715096 /nfs/dbraw/zinc/71/50/96/415715096.db2.gz OZDAUQMVCPVIGY-MCIONIFRSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH2+][C@H](C)c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656456287 415715138 /nfs/dbraw/zinc/71/51/38/415715138.db2.gz XCUZVDHEQGCWMI-UKRRQHHQSA-N 2 1 285.395 2.006 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)C1CCCCC1 ZINC000662273835 415740028 /nfs/dbraw/zinc/74/00/28/415740028.db2.gz QDJIPNZNCHBUBH-ARFHVFGLSA-N 2 1 266.429 2.266 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCCC1 ZINC000662272713 415740574 /nfs/dbraw/zinc/74/05/74/415740574.db2.gz HBTSFFOBRRHFIX-OWCLPIDISA-N 2 1 266.429 2.123 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)C1CCC1 ZINC000662282649 415749926 /nfs/dbraw/zinc/74/99/26/415749926.db2.gz IMOSSXJVTFSFFT-RJZRQDKASA-N 2 1 254.418 2.107 20 0 CEADMP C[NH2+]CCC[N@H+](C)CCc1nsc2ccccc12 ZINC000662281539 415747570 /nfs/dbraw/zinc/74/75/70/415747570.db2.gz NMJKZEHMVCYHRO-UHFFFAOYSA-N 2 1 263.410 2.380 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCc1nsc2ccccc12 ZINC000662281539 415747577 /nfs/dbraw/zinc/74/75/77/415747577.db2.gz NMJKZEHMVCYHRO-UHFFFAOYSA-N 2 1 263.410 2.380 20 0 CEADMP C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)C1CC[NH2+]CC1 ZINC000662295230 415760404 /nfs/dbraw/zinc/76/04/04/415760404.db2.gz UKKQYLOUNUBRED-KRWDZBQOSA-N 3 1 279.472 2.088 20 0 CEADMP C[N@H+](CCCc1nc(-c2ccccc2)no1)CC(C)(C)[NH3+] ZINC000662298113 415763177 /nfs/dbraw/zinc/76/31/77/415763177.db2.gz VAGVEURIIALWAY-UHFFFAOYSA-N 2 1 288.395 2.338 20 0 CEADMP C[N@@H+](CCCc1nc(-c2ccccc2)no1)CC(C)(C)[NH3+] ZINC000662298113 415763183 /nfs/dbraw/zinc/76/31/83/415763183.db2.gz VAGVEURIIALWAY-UHFFFAOYSA-N 2 1 288.395 2.338 20 0 CEADMP Oc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000656575311 415772553 /nfs/dbraw/zinc/77/25/53/415772553.db2.gz OXKSXBGQTWZDAT-INIZCTEOSA-N 2 1 286.419 2.466 20 0 CEADMP CC(C)COCC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662316181 415773765 /nfs/dbraw/zinc/77/37/65/415773765.db2.gz KMCLWRDWUMVAOD-HUUCEWRRSA-N 2 1 256.434 2.498 20 0 CEADMP COCC[NH2+]C1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC000662283611 415751034 /nfs/dbraw/zinc/75/10/34/415751034.db2.gz BORLGAHZJZFVAL-KRWDZBQOSA-N 2 1 292.423 2.075 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)OC ZINC000659927734 415789592 /nfs/dbraw/zinc/78/95/92/415789592.db2.gz IKBANVRJAKJUGR-ZACQAIPSSA-N 2 1 298.471 2.234 20 0 CEADMP COC[C@H](C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)OC ZINC000659927734 415789593 /nfs/dbraw/zinc/78/95/93/415789593.db2.gz IKBANVRJAKJUGR-ZACQAIPSSA-N 2 1 298.471 2.234 20 0 CEADMP COC[C@H](C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)OC ZINC000659927734 415789598 /nfs/dbraw/zinc/78/95/98/415789598.db2.gz IKBANVRJAKJUGR-ZACQAIPSSA-N 2 1 298.471 2.234 20 0 CEADMP CC[C@]1(C)CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000659975818 415818049 /nfs/dbraw/zinc/81/80/49/415818049.db2.gz OVMKSPZWMWXXDN-LSDHHAIUSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@]1(C)CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000659975818 415818054 /nfs/dbraw/zinc/81/80/54/415818054.db2.gz OVMKSPZWMWXXDN-LSDHHAIUSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@]1(C)CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000659975818 415818058 /nfs/dbraw/zinc/81/80/58/415818058.db2.gz OVMKSPZWMWXXDN-LSDHHAIUSA-N 2 1 256.434 2.200 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C1CCC1 ZINC000659975265 415819212 /nfs/dbraw/zinc/81/92/12/415819212.db2.gz WPNUGLGDDDHTQG-NVXWUHKLSA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CCC1 ZINC000659975265 415819218 /nfs/dbraw/zinc/81/92/18/415819218.db2.gz WPNUGLGDDDHTQG-NVXWUHKLSA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CCC1 ZINC000659975265 415819221 /nfs/dbraw/zinc/81/92/21/415819221.db2.gz WPNUGLGDDDHTQG-NVXWUHKLSA-N 2 1 280.456 2.465 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659980685 415822297 /nfs/dbraw/zinc/82/22/97/415822297.db2.gz YAVDWYSYYIEJQC-YYIAUSFCSA-N 2 1 280.456 2.465 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000662669421 415925500 /nfs/dbraw/zinc/92/55/00/415925500.db2.gz YQNAZTGGVXEHTR-RBSFLKMASA-N 2 1 293.455 2.027 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccccc2)CCC1 ZINC000660024429 415856879 /nfs/dbraw/zinc/85/68/79/415856879.db2.gz AMOWSNLBAHQQTO-INIZCTEOSA-N 2 1 276.424 2.357 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccccc2)CCC1 ZINC000660024429 415856882 /nfs/dbraw/zinc/85/68/82/415856882.db2.gz AMOWSNLBAHQQTO-INIZCTEOSA-N 2 1 276.424 2.357 20 0 CEADMP CC(C)C[C@@H](N)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656781937 415858671 /nfs/dbraw/zinc/85/86/71/415858671.db2.gz AFQYXKIQOZCSCE-HZPDHXFCSA-N 2 1 267.461 2.071 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656781937 415858676 /nfs/dbraw/zinc/85/86/76/415858676.db2.gz AFQYXKIQOZCSCE-HZPDHXFCSA-N 2 1 267.461 2.071 20 0 CEADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000076521586 177033249 /nfs/dbraw/zinc/03/32/49/177033249.db2.gz LNWHZQBNHVWQGP-QGZVFWFLSA-N 2 1 287.451 2.091 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000246541714 287347157 /nfs/dbraw/zinc/34/71/57/287347157.db2.gz SJWCYIMAOIUFED-BZUAXINKSA-N 2 1 295.471 2.132 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2c(s1)CCC2 ZINC000666743358 419411961 /nfs/dbraw/zinc/41/19/61/419411961.db2.gz BFKMHMNOKIMACZ-QWRGUYRKSA-N 2 1 265.426 2.239 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cnn(-c3ccccc3)c1)C2 ZINC000319264440 419485695 /nfs/dbraw/zinc/48/56/95/419485695.db2.gz DVTNPKZMZZRLMG-WMZOPIPTSA-N 2 1 296.418 2.433 20 0 CEADMP c1cc(CCC[NH2+]C[C@H]2CCCC[NH2+]2)cc2c1OCC2 ZINC000666770867 419425633 /nfs/dbraw/zinc/42/56/33/419425633.db2.gz WIYLWNVPUCDKQZ-MRXNPFEDSA-N 2 1 274.408 2.286 20 0 CEADMP C([NH2+]C1CCC2(CCOCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000666770428 419425665 /nfs/dbraw/zinc/42/56/65/419425665.db2.gz ZRAGKHLNSGWYTN-OAHLLOKOSA-N 2 1 266.429 2.458 20 0 CEADMP Cc1[nH+]cc(CN2CCC([NH+]3CCCCC3)CC2)n1C ZINC000667494631 419697709 /nfs/dbraw/zinc/69/77/09/419697709.db2.gz FPUMUELZFZUKTP-UHFFFAOYSA-N 2 1 276.428 2.179 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667733624 419784688 /nfs/dbraw/zinc/78/46/88/419784688.db2.gz LCASLRDRNKYBJL-CYBMUJFWSA-N 2 1 292.427 2.387 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN(C)Cc1cc(C)ccc1C ZINC000517755068 260174529 /nfs/dbraw/zinc/17/45/29/260174529.db2.gz MMJPDLZINKSPME-MRXNPFEDSA-N 2 1 264.413 2.048 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000449191336 260288178 /nfs/dbraw/zinc/28/81/78/260288178.db2.gz XGGAWOJTQYSEHJ-IJEWVQPXSA-N 2 1 284.444 2.031 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCCOCC1 ZINC000359989407 260951917 /nfs/dbraw/zinc/95/19/17/260951917.db2.gz XVLXPSKQVOKKPN-GJZGRUSLSA-N 2 1 254.418 2.410 20 0 CEADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086727157 274230285 /nfs/dbraw/zinc/23/02/85/274230285.db2.gz BMVBGIJUIAATJE-GXFFZTMASA-N 2 1 283.213 2.332 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000497187645 262089291 /nfs/dbraw/zinc/08/92/91/262089291.db2.gz QZPNOEWJSJYXDZ-HNNXBMFYSA-N 2 1 299.459 2.351 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000390149364 262141933 /nfs/dbraw/zinc/14/19/33/262141933.db2.gz SPWBTFCVOZKMDU-RHSMWYFYSA-N 2 1 284.407 2.243 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000390149364 262141935 /nfs/dbraw/zinc/14/19/35/262141935.db2.gz SPWBTFCVOZKMDU-RHSMWYFYSA-N 2 1 284.407 2.243 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000188619072 262327365 /nfs/dbraw/zinc/32/73/65/262327365.db2.gz RXTIRTKXKSHVGG-YPMHNXCESA-N 2 1 294.361 2.154 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000188619092 262327452 /nfs/dbraw/zinc/32/74/52/262327452.db2.gz RXTIRTKXKSHVGG-DGCLKSJQSA-N 2 1 294.361 2.154 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425416747 264295765 /nfs/dbraw/zinc/29/57/65/264295765.db2.gz ITGZGHZXXANYKP-LSDHHAIUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](OC)C2CC2)C1 ZINC000425424927 264313980 /nfs/dbraw/zinc/31/39/80/264313980.db2.gz XNZYVRHBULQCTL-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[C@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000192780075 270280125 /nfs/dbraw/zinc/28/01/25/270280125.db2.gz VJEBDMWHZYMYAF-AWEZNQCLSA-N 2 1 255.450 2.133 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH2+]CC1 ZINC000236748690 270316539 /nfs/dbraw/zinc/31/65/39/270316539.db2.gz DCTAOALJEQPJRY-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CCn1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000322568059 270335116 /nfs/dbraw/zinc/33/51/16/270335116.db2.gz FHSXXTQUIQJSEP-PRTUASRFSA-N 2 1 262.401 2.179 20 0 CEADMP CCn1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000322568059 270335117 /nfs/dbraw/zinc/33/51/17/270335117.db2.gz FHSXXTQUIQJSEP-PRTUASRFSA-N 2 1 262.401 2.179 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1cc(Br)cs1)C1CC1 ZINC000399250732 270368803 /nfs/dbraw/zinc/36/88/03/270368803.db2.gz JXZZZPSNYLNIKL-SNVBAGLBSA-N 2 1 275.215 2.338 20 0 CEADMP C[C@@H](NCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422803222 270775843 /nfs/dbraw/zinc/77/58/43/270775843.db2.gz IOCYNZCYYPPJMN-CRAIPNDOSA-N 2 1 287.451 2.165 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423098103 270834495 /nfs/dbraw/zinc/83/44/95/270834495.db2.gz KFQQGUPBVIJKPM-UWVGGRQHSA-N 2 1 291.317 2.238 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)[C@H]1CCCC[NH2+]1 ZINC000423103612 270837541 /nfs/dbraw/zinc/83/75/41/270837541.db2.gz LJKGIQDCTADZLI-IUODEOHRSA-N 2 1 272.396 2.226 20 0 CEADMP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423159211 270854591 /nfs/dbraw/zinc/85/45/91/270854591.db2.gz XOZJMTHPESOXJB-ZVDSWSACSA-N 2 1 266.429 2.025 20 0 CEADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC[NH3+] ZINC000423191017 270866585 /nfs/dbraw/zinc/86/65/85/270866585.db2.gz UAPARESFXNAGSE-QMMMGPOBSA-N 2 1 275.165 2.068 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cnn(C2CCCC2)c1 ZINC000423195513 270866979 /nfs/dbraw/zinc/86/69/79/270866979.db2.gz ZHXFSPSBPDZKPJ-GFCCVEGCSA-N 2 1 262.401 2.401 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)cn1 ZINC000423374761 270907062 /nfs/dbraw/zinc/90/70/62/270907062.db2.gz IKGUTFQHZJSRMU-DRZSPHRISA-N 2 1 251.349 2.402 20 0 CEADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cncs1 ZINC000423507625 270919417 /nfs/dbraw/zinc/91/94/17/270919417.db2.gz JUSARGWXWQAONW-IYXRBSQSSA-N 2 1 294.468 2.010 20 0 CEADMP CC[NH+]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424143157 271023369 /nfs/dbraw/zinc/02/33/69/271023369.db2.gz WCJACKQCGADMBJ-MRXNPFEDSA-N 2 1 295.471 2.228 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000426507373 271224026 /nfs/dbraw/zinc/22/40/26/271224026.db2.gz DGNXITIMKZVNTC-KKUMJFAQSA-N 2 1 283.460 2.096 20 0 CEADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430583826 271394524 /nfs/dbraw/zinc/39/45/24/271394524.db2.gz NMBCIFMJXTYOIK-KBPBESRZSA-N 2 1 283.460 2.083 20 0 CEADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430583826 271394527 /nfs/dbraw/zinc/39/45/27/271394527.db2.gz NMBCIFMJXTYOIK-KBPBESRZSA-N 2 1 283.460 2.083 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000430585287 271396554 /nfs/dbraw/zinc/39/65/54/271396554.db2.gz QIKJWONNKAOFSQ-QKPAOTATSA-N 2 1 297.487 2.185 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000430585287 271396558 /nfs/dbraw/zinc/39/65/58/271396558.db2.gz QIKJWONNKAOFSQ-QKPAOTATSA-N 2 1 297.487 2.185 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCCC[C@H]1C ZINC000349116835 276006662 /nfs/dbraw/zinc/00/66/62/276006662.db2.gz HUYOMKZUWRTPRD-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000349116835 276006664 /nfs/dbraw/zinc/00/66/64/276006664.db2.gz HUYOMKZUWRTPRD-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000349116835 276006666 /nfs/dbraw/zinc/00/66/66/276006666.db2.gz HUYOMKZUWRTPRD-BZUAXINKSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000358384246 276006951 /nfs/dbraw/zinc/00/69/51/276006951.db2.gz PQGFTOYSPWUNFL-WCVJEAGWSA-N 2 1 268.445 2.367 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)CCC[C@@H]2C)CC1 ZINC000131013072 276150188 /nfs/dbraw/zinc/15/01/88/276150188.db2.gz STRXLGJENZUGSM-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(OC)CC2)[C@H](C)C1 ZINC000346424517 276216602 /nfs/dbraw/zinc/21/66/02/276216602.db2.gz LBKPEPDFZLPVDT-XSCHDIRWSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCCCC2)[C@@H](C)C1 ZINC000304317579 276216749 /nfs/dbraw/zinc/21/67/49/276216749.db2.gz OTSUISQOVGUWSX-UONOGXRCSA-N 2 1 254.418 2.002 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000414712204 276224972 /nfs/dbraw/zinc/22/49/72/276224972.db2.gz SWDSDNDAEJVBHG-QXSJWSMHSA-N 3 1 267.461 2.037 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000414712204 276224973 /nfs/dbraw/zinc/22/49/73/276224973.db2.gz SWDSDNDAEJVBHG-QXSJWSMHSA-N 3 1 267.461 2.037 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000414712204 276224974 /nfs/dbraw/zinc/22/49/74/276224974.db2.gz SWDSDNDAEJVBHG-QXSJWSMHSA-N 3 1 267.461 2.037 20 0 CEADMP CCN1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000414712204 276224975 /nfs/dbraw/zinc/22/49/75/276224975.db2.gz SWDSDNDAEJVBHG-QXSJWSMHSA-N 2 1 267.461 2.037 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000414712204 276224976 /nfs/dbraw/zinc/22/49/76/276224976.db2.gz SWDSDNDAEJVBHG-QXSJWSMHSA-N 2 1 267.461 2.037 20 0 CEADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178962304 276236537 /nfs/dbraw/zinc/23/65/37/276236537.db2.gz ZMZYBRZTMOQZDA-GDBMZVCRSA-N 2 1 295.471 2.003 20 0 CEADMP CCOCC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371208748 276318193 /nfs/dbraw/zinc/31/81/93/276318193.db2.gz QINUCIADJCWCLZ-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP CCOCC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371208748 276318195 /nfs/dbraw/zinc/31/81/95/276318195.db2.gz QINUCIADJCWCLZ-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000338283206 276324308 /nfs/dbraw/zinc/32/43/08/276324308.db2.gz HIWDNFNMJRLWGQ-HZPDHXFCSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC000336817998 276334551 /nfs/dbraw/zinc/33/45/51/276334551.db2.gz SSJDFUGLXZUENQ-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP C(C[NH2+][C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C[NH+]1CCCC1 ZINC000093488446 276811938 /nfs/dbraw/zinc/81/19/38/276811938.db2.gz XDSSDRRZTAFLAQ-ZACQAIPSSA-N 3 1 279.472 2.373 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000336839833 277060731 /nfs/dbraw/zinc/06/07/31/277060731.db2.gz PGADRKHUSSWANB-CHWSQXEVSA-N 2 1 294.361 2.250 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000336839833 277060732 /nfs/dbraw/zinc/06/07/32/277060732.db2.gz PGADRKHUSSWANB-CHWSQXEVSA-N 2 1 294.361 2.250 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000336839833 277060733 /nfs/dbraw/zinc/06/07/33/277060733.db2.gz PGADRKHUSSWANB-CHWSQXEVSA-N 2 1 294.361 2.250 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000338322874 277062240 /nfs/dbraw/zinc/06/22/40/277062240.db2.gz KULDFMBRMWIPSP-HZPDHXFCSA-N 2 1 274.408 2.454 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000245624013 277078014 /nfs/dbraw/zinc/07/80/14/277078014.db2.gz ONEGQEIJANJVOL-KGLIPLIRSA-N 2 1 262.401 2.073 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000245624013 277078015 /nfs/dbraw/zinc/07/80/15/277078015.db2.gz ONEGQEIJANJVOL-KGLIPLIRSA-N 2 1 262.401 2.073 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000245624013 277078016 /nfs/dbraw/zinc/07/80/16/277078016.db2.gz ONEGQEIJANJVOL-KGLIPLIRSA-N 2 1 262.401 2.073 20 0 CEADMP CC(C)(C)OC(=O)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000365552967 277176659 /nfs/dbraw/zinc/17/66/59/277176659.db2.gz PRIZIIYDNGPRGH-KFWWJZLASA-N 2 1 294.439 2.134 20 0 CEADMP CC(C)(C)OC(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000365552967 277176661 /nfs/dbraw/zinc/17/66/61/277176661.db2.gz PRIZIIYDNGPRGH-KFWWJZLASA-N 2 1 294.439 2.134 20 0 CEADMP CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365552967 277176662 /nfs/dbraw/zinc/17/66/62/277176662.db2.gz PRIZIIYDNGPRGH-KFWWJZLASA-N 2 1 294.439 2.134 20 0 CEADMP CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365552967 277176663 /nfs/dbraw/zinc/17/66/63/277176663.db2.gz PRIZIIYDNGPRGH-KFWWJZLASA-N 2 1 294.439 2.134 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000414833067 277274764 /nfs/dbraw/zinc/27/47/64/277274764.db2.gz GBDBGKRKSSIAIV-CYBMUJFWSA-N 2 1 278.444 2.413 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000180987987 278002821 /nfs/dbraw/zinc/00/28/21/278002821.db2.gz BIOFEAWEHGYCIC-UXLLHSPISA-N 2 1 295.471 2.003 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C2 ZINC000335256758 278029016 /nfs/dbraw/zinc/02/90/16/278029016.db2.gz LQTULBFYZJMBBW-KGLIPLIRSA-N 2 1 274.408 2.441 20 0 CEADMP C[C@H](CCNc1nc(N(C)C)cc[nH+]1)[NH+]1CCCCC1 ZINC000302111770 278174390 /nfs/dbraw/zinc/17/43/90/278174390.db2.gz AZGQEPVDMHJGLH-CYBMUJFWSA-N 2 1 277.416 2.219 20 0 CEADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC000341189064 279092449 /nfs/dbraw/zinc/09/24/49/279092449.db2.gz OUEJTLHDVPGOJU-GFCCVEGCSA-N 2 1 280.416 2.493 20 0 CEADMP CC[NH+](CC)CCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000249295237 279100427 /nfs/dbraw/zinc/10/04/27/279100427.db2.gz CGJOLLBNIKDTFN-RBSFLKMASA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000249295237 279100428 /nfs/dbraw/zinc/10/04/28/279100428.db2.gz CGJOLLBNIKDTFN-RBSFLKMASA-N 3 1 255.450 2.037 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000249295237 279100430 /nfs/dbraw/zinc/10/04/30/279100430.db2.gz CGJOLLBNIKDTFN-RBSFLKMASA-N 3 1 255.450 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187865833 288106125 /nfs/dbraw/zinc/10/61/25/288106125.db2.gz UWYMJHVHLBSLBZ-YIYPIFLZSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@@H]1CCC[NH+](C)C1 ZINC000414193447 288106402 /nfs/dbraw/zinc/10/64/02/288106402.db2.gz TZKGXZCZMUYBAM-LVQVYYBASA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414193447 288106403 /nfs/dbraw/zinc/10/64/03/288106403.db2.gz TZKGXZCZMUYBAM-LVQVYYBASA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414193447 288106405 /nfs/dbraw/zinc/10/64/05/288106405.db2.gz TZKGXZCZMUYBAM-LVQVYYBASA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414193447 288106406 /nfs/dbraw/zinc/10/64/06/288106406.db2.gz TZKGXZCZMUYBAM-LVQVYYBASA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414193447 288106408 /nfs/dbraw/zinc/10/64/08/288106408.db2.gz TZKGXZCZMUYBAM-LVQVYYBASA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185084823 279266640 /nfs/dbraw/zinc/26/66/40/279266640.db2.gz AJMHRDRDCUFKFI-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000363067653 279288610 /nfs/dbraw/zinc/28/86/10/279288610.db2.gz NYIXZYBQMSSXOT-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000334230898 288123472 /nfs/dbraw/zinc/12/34/72/288123472.db2.gz KOCDLTHLMIHWAP-DOMZBBRYSA-N 2 1 279.472 2.368 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000334230898 288123473 /nfs/dbraw/zinc/12/34/73/288123473.db2.gz KOCDLTHLMIHWAP-DOMZBBRYSA-N 2 1 279.472 2.368 20 0 CEADMP C[C@H]([NH3+])CC[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC000414818544 279399685 /nfs/dbraw/zinc/39/96/85/279399685.db2.gz FJQXMCRVBOIIDT-ZJUUUORDSA-N 2 1 253.415 2.095 20 0 CEADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)OC[C@H]2C)[C@@H](C)CO1 ZINC000247075216 288158862 /nfs/dbraw/zinc/15/88/62/288158862.db2.gz SLTKHKDAMSUUCJ-ZYGGUILKSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)OC[C@H]2C)[C@@H](C)CO1 ZINC000247075216 288158865 /nfs/dbraw/zinc/15/88/65/288158865.db2.gz SLTKHKDAMSUUCJ-ZYGGUILKSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)OC[C@H]2C)[C@@H](C)CO1 ZINC000247075216 288158868 /nfs/dbraw/zinc/15/88/68/288158868.db2.gz SLTKHKDAMSUUCJ-ZYGGUILKSA-N 2 1 298.471 2.375 20 0 CEADMP CCCC[NH+]1CCC([NH2+]Cc2cn(C)nc2C)CC1 ZINC000126006319 279820780 /nfs/dbraw/zinc/82/07/80/279820780.db2.gz UIBPYYOAAQGQMS-UHFFFAOYSA-N 2 1 264.417 2.083 20 0 CEADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000161994704 279874642 /nfs/dbraw/zinc/87/46/42/279874642.db2.gz WKURAWVEUVFEGS-JKSUJKDBSA-N 2 1 291.439 2.121 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCOC)CC2)C12CCC2 ZINC000178818872 279932742 /nfs/dbraw/zinc/93/27/42/279932742.db2.gz NUODCJXANBHHTH-HOTGVXAUSA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@@H](C)[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128254782 280122775 /nfs/dbraw/zinc/12/27/75/280122775.db2.gz GULLMXQMQYFVJD-CABCVRRESA-N 2 1 255.450 2.038 20 0 CEADMP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000414702373 280173940 /nfs/dbraw/zinc/17/39/40/280173940.db2.gz BDJZKASGMYADJG-ULQDDVLXSA-N 2 1 274.408 2.156 20 0 CEADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC000414702373 280173941 /nfs/dbraw/zinc/17/39/41/280173941.db2.gz BDJZKASGMYADJG-ULQDDVLXSA-N 2 1 274.408 2.156 20 0 CEADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CC1(C)C ZINC000414126819 280187588 /nfs/dbraw/zinc/18/75/88/280187588.db2.gz FMZSCNDXEOHEMM-LSDHHAIUSA-N 2 1 281.488 2.427 20 0 CEADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CCOCC1 ZINC000343404044 280188225 /nfs/dbraw/zinc/18/82/25/280188225.db2.gz OCOUKWDTQYGZPQ-HUUCEWRRSA-N 2 1 254.418 2.266 20 0 CEADMP CCOCC[N@@H+](CC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211952142 280207494 /nfs/dbraw/zinc/20/74/94/280207494.db2.gz JIUWQGNCLFIZAG-UHFFFAOYSA-N 2 1 262.397 2.191 20 0 CEADMP Cc1cccc(OCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000222805107 280212144 /nfs/dbraw/zinc/21/21/44/280212144.db2.gz TYVWRYMQOQLPIY-LSDHHAIUSA-N 2 1 262.397 2.446 20 0 CEADMP Cc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000222805107 280212145 /nfs/dbraw/zinc/21/21/45/280212145.db2.gz TYVWRYMQOQLPIY-LSDHHAIUSA-N 2 1 262.397 2.446 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)CCO2 ZINC000223225245 280212865 /nfs/dbraw/zinc/21/28/65/280212865.db2.gz DWJXLUDAXAJKJT-MAZHCROVSA-N 2 1 290.407 2.449 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)CCO2 ZINC000223225245 280212867 /nfs/dbraw/zinc/21/28/67/280212867.db2.gz DWJXLUDAXAJKJT-MAZHCROVSA-N 2 1 290.407 2.449 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000246256735 280283801 /nfs/dbraw/zinc/28/38/01/280283801.db2.gz KJTKKTLNHMKQKC-PMPSAXMXSA-N 2 1 295.471 2.227 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246532379 280299315 /nfs/dbraw/zinc/29/93/15/280299315.db2.gz VLVOLUZBMAROFH-MJBXVCDLSA-N 2 1 256.434 2.102 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000247036174 280318416 /nfs/dbraw/zinc/31/84/16/280318416.db2.gz MLBKCGZQYDVFQT-JKSUJKDBSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CCN2CCC(C)CC2)[C@@H](C)C1 ZINC000247036174 280318419 /nfs/dbraw/zinc/31/84/19/280318419.db2.gz MLBKCGZQYDVFQT-JKSUJKDBSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCN2CCC(C)CC2)[C@@H](C)C1 ZINC000247036174 280318420 /nfs/dbraw/zinc/31/84/20/280318420.db2.gz MLBKCGZQYDVFQT-JKSUJKDBSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnn2C)C1 ZINC000249036105 280380054 /nfs/dbraw/zinc/38/00/54/280380054.db2.gz SNOZEJBEZQAXEC-HUUCEWRRSA-N 2 1 278.444 2.439 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnn2C)C1 ZINC000249036105 280380058 /nfs/dbraw/zinc/38/00/58/280380058.db2.gz SNOZEJBEZQAXEC-HUUCEWRRSA-N 2 1 278.444 2.439 20 0 CEADMP CCCOc1cc(C)ccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422871773 280942246 /nfs/dbraw/zinc/94/22/46/280942246.db2.gz DQJMYNNJEILGMH-ZDUSSCGKSA-N 2 1 262.397 2.481 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000422929110 280970264 /nfs/dbraw/zinc/97/02/64/280970264.db2.gz OHKAPPLGFAJVFK-YGOYTEALSA-N 2 1 254.761 2.489 20 0 CEADMP C[C@H]([NH2+]CCc1ccccc1O)c1c[nH+]ccc1N ZINC000422972029 280980062 /nfs/dbraw/zinc/98/00/62/280980062.db2.gz KHZVYCIMJAXTPW-NSHDSACASA-N 2 1 257.337 2.093 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422982671 280981907 /nfs/dbraw/zinc/98/19/07/280981907.db2.gz XMIRBYZDNRABCF-DOMZBBRYSA-N 2 1 265.401 2.332 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423029890 281001178 /nfs/dbraw/zinc/00/11/78/281001178.db2.gz IXVQGLHMUALNIO-MANSERQUSA-N 2 1 299.462 2.239 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1c[nH+]ccc1N ZINC000423038503 281004887 /nfs/dbraw/zinc/00/48/87/281004887.db2.gz YVJPPKVWPIJHCD-MNOVXSKESA-N 2 1 251.399 2.430 20 0 CEADMP Cn1c(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])nc2cccc(Cl)c21 ZINC000423046353 281008148 /nfs/dbraw/zinc/00/81/48/281008148.db2.gz DIJWCSNLGZTQRM-ZYHUDNBSSA-N 2 1 292.814 2.444 20 0 CEADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)C1C[NH2+]C1 ZINC000423052788 281011983 /nfs/dbraw/zinc/01/19/83/281011983.db2.gz REBDKTCCVFEXQU-YJBOKZPZSA-N 2 1 289.467 2.341 20 0 CEADMP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423052788 281011984 /nfs/dbraw/zinc/01/19/84/281011984.db2.gz REBDKTCCVFEXQU-YJBOKZPZSA-N 2 1 289.467 2.341 20 0 CEADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423059681 281014488 /nfs/dbraw/zinc/01/44/88/281014488.db2.gz MONMZBCUTYPSFN-DZGCQCFKSA-N 2 1 285.391 2.057 20 0 CEADMP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)[C@@H]1CCCCN1 ZINC000423135315 281018501 /nfs/dbraw/zinc/01/85/01/281018501.db2.gz NNESEYVLSKMNGR-HOTGVXAUSA-N 2 1 267.461 2.373 20 0 CEADMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(OC)c(OC)c1 ZINC000423330085 281022984 /nfs/dbraw/zinc/02/29/84/281022984.db2.gz TWQLDFRWZGTHNI-KBPBESRZSA-N 2 1 278.396 2.482 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423383013 281027086 /nfs/dbraw/zinc/02/70/86/281027086.db2.gz JBPNFZKYMVFCMI-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000423438402 281042498 /nfs/dbraw/zinc/04/24/98/281042498.db2.gz VDKGRBCMOXYZOF-TYNCELHUSA-N 2 1 287.407 2.061 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000423468532 281050242 /nfs/dbraw/zinc/05/02/42/281050242.db2.gz OLSZJSNNHOAWLA-CMPLNLGQSA-N 2 1 252.358 2.092 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000423477729 281053168 /nfs/dbraw/zinc/05/31/68/281053168.db2.gz UBZCLFJKDIYXOY-KBPBESRZSA-N 2 1 264.369 2.251 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423769725 281088154 /nfs/dbraw/zinc/08/81/54/281088154.db2.gz GMJDTZZBVDGMNW-HRCADAONSA-N 2 1 297.487 2.249 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000424206537 281135603 /nfs/dbraw/zinc/13/56/03/281135603.db2.gz PCLSNAGYKOSMEP-JGPRNRPPSA-N 2 1 251.399 2.093 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)C[C@H]2C1 ZINC000424314584 281148581 /nfs/dbraw/zinc/14/85/81/281148581.db2.gz OSGWQDGDGZYBRW-XMEMRUQMSA-N 2 1 266.429 2.262 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)C[C@H]2C1 ZINC000424314584 281148584 /nfs/dbraw/zinc/14/85/84/281148584.db2.gz OSGWQDGDGZYBRW-XMEMRUQMSA-N 2 1 266.429 2.262 20 0 CEADMP CCn1c2cccc(F)c2nc1C[NH+]1CCC(C[NH3+])CC1 ZINC000430628825 281271553 /nfs/dbraw/zinc/27/15/53/281271553.db2.gz VNFJYESGBZZLNJ-UHFFFAOYSA-N 2 1 290.386 2.366 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2nc3ccccc3n2C)C1 ZINC000430634987 281271880 /nfs/dbraw/zinc/27/18/80/281271880.db2.gz UDQNVMGSYVPGQR-CQSZACIVSA-N 2 1 286.423 2.047 20 0 CEADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430931186 281281914 /nfs/dbraw/zinc/28/19/14/281281914.db2.gz VMTODWBQCYNDRI-KGLIPLIRSA-N 2 1 297.402 2.447 20 0 CEADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430931186 281281919 /nfs/dbraw/zinc/28/19/19/281281919.db2.gz VMTODWBQCYNDRI-KGLIPLIRSA-N 2 1 297.402 2.447 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430942629 281284183 /nfs/dbraw/zinc/28/41/83/281284183.db2.gz MMMJPJXSUUPDSV-INIZCTEOSA-N 2 1 297.402 2.441 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433056144 281363410 /nfs/dbraw/zinc/36/34/10/281363410.db2.gz GNYOQGLWHDXIAD-KFWWJZLASA-N 2 1 280.456 2.248 20 0 CEADMP COc1ccc2oc(C[N@H+]3CC[C@@H](C[NH3+])C3)cc2c1 ZINC000435379516 281386490 /nfs/dbraw/zinc/38/64/90/281386490.db2.gz MQGUUTKDQPNKQE-NSHDSACASA-N 2 1 260.337 2.222 20 0 CEADMP CC[N@H+](Cc1cccc2c1OCO2)[C@H]1CCC[NH2+]CC1 ZINC000435380943 281386528 /nfs/dbraw/zinc/38/65/28/281386528.db2.gz QTDQJZVAVNEYMG-AWEZNQCLSA-N 2 1 276.380 2.379 20 0 CEADMP CC[N@@H+](Cc1cccc2c1OCO2)[C@H]1CCC[NH2+]CC1 ZINC000435380943 281386529 /nfs/dbraw/zinc/38/65/29/281386529.db2.gz QTDQJZVAVNEYMG-AWEZNQCLSA-N 2 1 276.380 2.379 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@@H+](C)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000435430606 281389601 /nfs/dbraw/zinc/38/96/01/281389601.db2.gz CZCPRRQEXDNZHO-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000435430604 281389631 /nfs/dbraw/zinc/38/96/31/281389631.db2.gz CZCPRRQEXDNZHO-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435447087 281390137 /nfs/dbraw/zinc/39/01/37/281390137.db2.gz NOHQJFVYORAFBM-CYBMUJFWSA-N 2 1 278.444 2.119 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435447087 281390139 /nfs/dbraw/zinc/39/01/39/281390139.db2.gz NOHQJFVYORAFBM-CYBMUJFWSA-N 2 1 278.444 2.119 20 0 CEADMP C[NH2+]CCC[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000435869657 281399510 /nfs/dbraw/zinc/39/95/10/281399510.db2.gz COFMOBJQJBHAQE-MRXNPFEDSA-N 2 1 264.413 2.115 20 0 CEADMP C[NH+](C)C(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000365889673 282016524 /nfs/dbraw/zinc/01/65/24/282016524.db2.gz UHXQEKNSIFWPIR-MGPQQGTHSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@H]3CCNC3=O)C1)CCCC2 ZINC000330285794 282021139 /nfs/dbraw/zinc/02/11/39/282021139.db2.gz ACMKUBATBJBUOM-DOMZBBRYSA-N 2 1 288.395 2.046 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@H]3CCNC3=O)C1)CCCC2 ZINC000330285794 282021142 /nfs/dbraw/zinc/02/11/42/282021142.db2.gz ACMKUBATBJBUOM-DOMZBBRYSA-N 2 1 288.395 2.046 20 0 CEADMP CC[N@@H+](CC(=O)NCCC[NH+](C(C)C)C(C)C)C1CC1 ZINC000153228556 289108849 /nfs/dbraw/zinc/10/88/49/289108849.db2.gz HMNMTZMSJIHKIT-UHFFFAOYSA-N 2 1 283.460 2.096 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158182956 289229704 /nfs/dbraw/zinc/22/97/04/289229704.db2.gz ANHLYXZKOJGGMC-IRXDYDNUSA-N 2 1 276.424 2.176 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C1CC1 ZINC000340518040 289365316 /nfs/dbraw/zinc/36/53/16/289365316.db2.gz JPGYKWRTLSHCFJ-FPCVCCKLSA-N 2 1 278.440 2.264 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000252795294 289735965 /nfs/dbraw/zinc/73/59/65/289735965.db2.gz AMLFFELSKNVVNW-MGPQQGTHSA-N 2 1 283.460 2.190 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C2CC(OC(C)C)C2)C1 ZINC000459356446 290125731 /nfs/dbraw/zinc/12/57/31/290125731.db2.gz KPEGFFZZZWAPSL-AQFXKWCLSA-N 2 1 298.471 2.375 20 0 CEADMP Cn1cc([C@@H]([NH2+]CCc2c[nH+]cn2C)C(C)(C)C)cn1 ZINC000459390984 290134575 /nfs/dbraw/zinc/13/45/75/290134575.db2.gz UGIBQWUIWQYXFW-CQSZACIVSA-N 2 1 275.400 2.073 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2C)[C@@H]1SC ZINC000459394256 290136118 /nfs/dbraw/zinc/13/61/18/290136118.db2.gz RSEBPQXBAKORNU-MJBXVCDLSA-N 2 1 283.441 2.080 20 0 CEADMP CCS[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000459467380 290157330 /nfs/dbraw/zinc/15/73/30/290157330.db2.gz RWIXVEBAQBSSRH-CHWSQXEVSA-N 2 1 253.415 2.226 20 0 CEADMP CCS[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000459467383 290157351 /nfs/dbraw/zinc/15/73/51/290157351.db2.gz RWIXVEBAQBSSRH-STQMWFEESA-N 2 1 253.415 2.226 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000459722492 290217385 /nfs/dbraw/zinc/21/73/85/290217385.db2.gz BLXVGVLENZUDJS-CQSZACIVSA-N 2 1 290.407 2.279 20 0 CEADMP Cc1nc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cs1 ZINC000459734122 290220427 /nfs/dbraw/zinc/22/04/27/290220427.db2.gz OEDJRGXZUZOUTJ-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000459776067 290236064 /nfs/dbraw/zinc/23/60/64/290236064.db2.gz KAQIEUDBLOUSAY-AGIUHOORSA-N 2 1 294.361 2.418 20 0 CEADMP CC(C)[C@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000488197490 290383416 /nfs/dbraw/zinc/38/34/16/290383416.db2.gz HBLQEPLKFBUNQN-JKSUJKDBSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[C@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000488197490 290383419 /nfs/dbraw/zinc/38/34/19/290383419.db2.gz HBLQEPLKFBUNQN-JKSUJKDBSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[C@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000488197490 290383421 /nfs/dbraw/zinc/38/34/21/290383421.db2.gz HBLQEPLKFBUNQN-JKSUJKDBSA-N 2 1 267.461 2.133 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000530213089 298051552 /nfs/dbraw/zinc/05/15/52/298051552.db2.gz UAGKUCUVIPKKEL-DAXOMENPSA-N 2 1 280.387 2.052 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C12CCC2 ZINC000530223728 298056717 /nfs/dbraw/zinc/05/67/17/298056717.db2.gz UWGRDLIMFNJBOI-BFHYXJOUSA-N 2 1 264.413 2.208 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2OC)[C@@H](C)C1 ZINC000532203712 298135471 /nfs/dbraw/zinc/13/54/71/298135471.db2.gz ATOLKFTXKJIRDW-GJZGRUSLSA-N 2 1 292.423 2.394 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000541846993 298286711 /nfs/dbraw/zinc/28/67/11/298286711.db2.gz UNPKJYQFSVAANA-OAHLLOKOSA-N 2 1 287.411 2.195 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000541846993 298286713 /nfs/dbraw/zinc/28/67/13/298286713.db2.gz UNPKJYQFSVAANA-OAHLLOKOSA-N 2 1 287.411 2.195 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000566542891 299000058 /nfs/dbraw/zinc/00/00/58/299000058.db2.gz HIBQEYVIYKQDKF-AICCOOGYSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000566542891 299000062 /nfs/dbraw/zinc/00/00/62/299000062.db2.gz HIBQEYVIYKQDKF-AICCOOGYSA-N 2 1 252.402 2.159 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2ccccc2)C1 ZINC000566687558 299015906 /nfs/dbraw/zinc/01/59/06/299015906.db2.gz NOXSNOJHGXVCBC-IAGOWNOFSA-N 2 1 276.424 2.179 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000566687558 299015909 /nfs/dbraw/zinc/01/59/09/299015909.db2.gz NOXSNOJHGXVCBC-IAGOWNOFSA-N 2 1 276.424 2.179 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000566687558 299015911 /nfs/dbraw/zinc/01/59/11/299015911.db2.gz NOXSNOJHGXVCBC-IAGOWNOFSA-N 2 1 276.424 2.179 20 0 CEADMP COc1cccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1OC ZINC000566967769 299032345 /nfs/dbraw/zinc/03/23/45/299032345.db2.gz AFLIFXRPWFEEAM-ZFWWWQNUSA-N 2 1 292.423 2.367 20 0 CEADMP Cc1ncc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)n1C ZINC000566983974 299034122 /nfs/dbraw/zinc/03/41/22/299034122.db2.gz AZYFZPUAQYKRKE-PRWKNARSSA-N 2 1 291.420 2.317 20 0 CEADMP CC[NH+]1CCC(NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527944899 313218691 /nfs/dbraw/zinc/21/86/91/313218691.db2.gz DNTHQKFVGNYLSH-QGZVFWFLSA-N 2 1 279.472 2.467 20 0 CEADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)n1 ZINC000530179880 313280690 /nfs/dbraw/zinc/28/06/90/313280690.db2.gz YMEGSEOVLUECKU-HIFRSBDPSA-N 2 1 276.428 2.269 20 0 CEADMP c1cc2c(cccc2N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)[nH]1 ZINC000530230916 313286313 /nfs/dbraw/zinc/28/63/13/313286313.db2.gz DNXSXTYPUILYLP-OAHLLOKOSA-N 2 1 298.434 2.290 20 0 CEADMP CCC(CC)[C@@H](C[NH2+][C@H](C)CC(=O)NC)N1CCCC1 ZINC000531946575 313334143 /nfs/dbraw/zinc/33/41/43/313334143.db2.gz NCPRZWPPYHZFLK-UKRRQHHQSA-N 2 1 283.460 2.001 20 0 CEADMP CN1CCO[C@@H](CSCC[N@@H+](C)Cc2ccccc2)C1 ZINC000569692757 314009586 /nfs/dbraw/zinc/00/95/86/314009586.db2.gz IEGBYFSGNUYJIM-MRXNPFEDSA-N 2 1 294.464 2.182 20 0 CEADMP C[N@H+](CCSC[C@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000569692757 314009590 /nfs/dbraw/zinc/00/95/90/314009590.db2.gz IEGBYFSGNUYJIM-MRXNPFEDSA-N 2 1 294.464 2.182 20 0 CEADMP C[N@@H+](CCSC[C@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000569692757 314009595 /nfs/dbraw/zinc/00/95/95/314009595.db2.gz IEGBYFSGNUYJIM-MRXNPFEDSA-N 2 1 294.464 2.182 20 0 CEADMP C[NH+](CCSC[C@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000569692757 314009599 /nfs/dbraw/zinc/00/95/99/314009599.db2.gz IEGBYFSGNUYJIM-MRXNPFEDSA-N 2 1 294.464 2.182 20 0 CEADMP CCC[N@H+](CCc1cccc(F)c1)C[C@H](O)C[NH+](C)CC ZINC000569822199 314017008 /nfs/dbraw/zinc/01/70/08/314017008.db2.gz JTIVOBRYNIDIHA-QGZVFWFLSA-N 2 1 296.430 2.393 20 0 CEADMP CCC[N@@H+](CCc1cccc(F)c1)C[C@H](O)C[NH+](C)CC ZINC000569822199 314017011 /nfs/dbraw/zinc/01/70/11/314017011.db2.gz JTIVOBRYNIDIHA-QGZVFWFLSA-N 2 1 296.430 2.393 20 0 CEADMP CCC[NH+](CCc1cccc(F)c1)C[C@H](O)C[N@H+](C)CC ZINC000569822199 314017014 /nfs/dbraw/zinc/01/70/14/314017014.db2.gz JTIVOBRYNIDIHA-QGZVFWFLSA-N 2 1 296.430 2.393 20 0 CEADMP CCC[NH+](CCc1cccc(F)c1)C[C@H](O)C[N@@H+](C)CC ZINC000569822199 314017016 /nfs/dbraw/zinc/01/70/16/314017016.db2.gz JTIVOBRYNIDIHA-QGZVFWFLSA-N 2 1 296.430 2.393 20 0 CEADMP c1ccc2c(c1)C=C(C[NH2+]CCC[NH+]1CCC1)CO2 ZINC000571103584 314073621 /nfs/dbraw/zinc/07/36/21/314073621.db2.gz IRIGDZWXVZULOS-UHFFFAOYSA-N 2 1 258.365 2.148 20 0 CEADMP CCOc1cccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)n1 ZINC000571619433 314099505 /nfs/dbraw/zinc/09/95/05/314099505.db2.gz FLROUNDVINIGHH-UHFFFAOYSA-N 2 1 282.347 2.418 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)c2nccn21 ZINC000575124077 314207431 /nfs/dbraw/zinc/20/74/31/314207431.db2.gz MYNIDBMRNIQKQG-FZMZJTMJSA-N 2 1 256.353 2.137 20 0 CEADMP C[C@@H](CCNC(=O)C[N@H+]1CCC(C)(C)C1)[NH+]1CCCCC1 ZINC000575194120 314214333 /nfs/dbraw/zinc/21/43/33/314214333.db2.gz BBHKLHOKLUKUOO-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000576102878 314241556 /nfs/dbraw/zinc/24/15/56/314241556.db2.gz APYDTGTUUJRLOO-SCAQPMJSSA-N 2 1 298.471 2.421 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000576589930 314291406 /nfs/dbraw/zinc/29/14/06/314291406.db2.gz JKIRIZZKAMMMEL-KRWDZBQOSA-N 2 1 278.440 2.175 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000576696083 314301936 /nfs/dbraw/zinc/30/19/36/314301936.db2.gz CNYGVHPHGMSLTQ-ROUUACIJSA-N 2 1 290.451 2.158 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000577602611 314393846 /nfs/dbraw/zinc/39/38/46/314393846.db2.gz HCWVJORSDPIOSF-MELADBBJSA-N 2 1 282.453 2.319 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000577602611 314393848 /nfs/dbraw/zinc/39/38/48/314393848.db2.gz HCWVJORSDPIOSF-MELADBBJSA-N 2 1 282.453 2.319 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)n(C)n1 ZINC000417962848 533702573 /nfs/dbraw/zinc/70/25/73/533702573.db2.gz ZZGYYAVQJHPUTR-OAHLLOKOSA-N 2 1 278.444 2.186 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)n(C)n1 ZINC000417962848 533702580 /nfs/dbraw/zinc/70/25/80/533702580.db2.gz ZZGYYAVQJHPUTR-OAHLLOKOSA-N 2 1 278.444 2.186 20 0 CEADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cnn(C)c1 ZINC000184509816 321732334 /nfs/dbraw/zinc/73/23/34/321732334.db2.gz WDHHNBYVINUEHO-UONOGXRCSA-N 2 1 264.417 2.335 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)C2(C[NH3+])CCC2)c1C ZINC000385344625 321859648 /nfs/dbraw/zinc/85/96/48/321859648.db2.gz NCNAOWNIFQBFTN-UHFFFAOYSA-N 2 1 263.385 2.020 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CS1 ZINC000580510720 322321934 /nfs/dbraw/zinc/32/19/34/322321934.db2.gz RCRUFKLUNDPPKQ-RDBSUJKOSA-N 2 1 256.459 2.448 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000580324220 322311174 /nfs/dbraw/zinc/31/11/74/322311174.db2.gz AWBOGZATDDKJAG-GJZGRUSLSA-N 2 1 262.397 2.494 20 0 CEADMP CC(C)(C)C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000580329362 322311641 /nfs/dbraw/zinc/31/16/41/322311641.db2.gz VHNNRXYPQWMBMO-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000580711604 322337799 /nfs/dbraw/zinc/33/77/99/322337799.db2.gz IMRFXQQNYAXXOM-UONOGXRCSA-N 2 1 289.423 2.166 20 0 CEADMP CCc1nc(C)c([C@@H](C)N(C)C[C@H](O)C[N@H+](C)CC)s1 ZINC000580990380 322359732 /nfs/dbraw/zinc/35/97/32/322359732.db2.gz VSYNFCQLCCCMRV-CHWSQXEVSA-N 2 1 299.484 2.319 20 0 CEADMP Cc1ccc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)cn1 ZINC000581602020 322409350 /nfs/dbraw/zinc/40/93/50/322409350.db2.gz OBDSNQOWBAONQQ-GFCCVEGCSA-N 2 1 256.353 2.091 20 0 CEADMP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)C1C[NH2+]C1 ZINC000583865808 322572967 /nfs/dbraw/zinc/57/29/67/322572967.db2.gz DFMWJAXLNRLGNY-LBPRGKRZSA-N 2 1 287.407 2.123 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2)c2ccccc21 ZINC000584345178 328592008 /nfs/dbraw/zinc/59/20/08/328592008.db2.gz NOUNCUKLHOTWPM-MORSLUCNSA-N 2 1 298.386 2.161 20 0 CEADMP COCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)CC(C)C ZINC000211957391 327235547 /nfs/dbraw/zinc/23/55/47/327235547.db2.gz VDHJDTBNNLRGNV-UHFFFAOYSA-N 2 1 276.424 2.437 20 0 CEADMP CCC[NH2+]CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423313031 500666449 /nfs/dbraw/zinc/66/64/49/500666449.db2.gz TVTDWFRLMNHZHN-AEFFLSMTSA-N 2 1 289.467 2.486 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000358088032 519902214 /nfs/dbraw/zinc/90/22/14/519902214.db2.gz ZDKNQOVTJSHZAL-QWHCGFSZSA-N 2 1 280.416 2.055 20 0 CEADMP CCOC(=O)CCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157085751 520639683 /nfs/dbraw/zinc/63/96/83/520639683.db2.gz YKJJBDFMEZCDGY-HNNXBMFYSA-N 2 1 282.428 2.280 20 0 CEADMP CCOC(=O)CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157085751 520639686 /nfs/dbraw/zinc/63/96/86/520639686.db2.gz YKJJBDFMEZCDGY-HNNXBMFYSA-N 2 1 282.428 2.280 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000366349327 520917577 /nfs/dbraw/zinc/91/75/77/520917577.db2.gz VKRSTLXBNJCYRI-RHSMWYFYSA-N 2 1 295.471 2.417 20 0 CEADMP CC[N@@H+]1C[C@H](NC[C@H]2CCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000358219198 521729734 /nfs/dbraw/zinc/72/97/34/521729734.db2.gz FJYMKXHYRCTFBL-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](NC[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](C)C1 ZINC000358219198 521729735 /nfs/dbraw/zinc/72/97/35/521729735.db2.gz FJYMKXHYRCTFBL-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](NC[C@H]2CCC[N@H+]2CC(C)C)[C@@H](C)C1 ZINC000358219198 521729736 /nfs/dbraw/zinc/72/97/36/521729736.db2.gz FJYMKXHYRCTFBL-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP COCC[C@H](C)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000163529312 521916381 /nfs/dbraw/zinc/91/63/81/521916381.db2.gz QDZBYUICNJKIAY-AWEZNQCLSA-N 2 1 277.412 2.373 20 0 CEADMP COCCCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150749486 523114026 /nfs/dbraw/zinc/11/40/26/523114026.db2.gz JUXDFKMBGAIEFV-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP Cc1ncc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)n1-c1ccccc1 ZINC000414951600 534745783 /nfs/dbraw/zinc/74/57/83/534745783.db2.gz HPQPJKGSSNZRMW-GUYCJALGSA-N 2 1 284.407 2.268 20 0 CEADMP C[NH+](C)C/C=C/C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000364822491 524034487 /nfs/dbraw/zinc/03/44/87/524034487.db2.gz XPBPQUZCPRKYFX-USYSOWRXSA-N 2 1 293.455 2.018 20 0 CEADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C[C@H]1CCOC1 ZINC000400690724 527486343 /nfs/dbraw/zinc/48/63/43/527486343.db2.gz MCUFAWFYDZVVHW-ZNMIVQPWSA-N 2 1 252.402 2.020 20 0 CEADMP OC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000364941193 527598818 /nfs/dbraw/zinc/59/88/18/527598818.db2.gz LIZBXFWHVCWXKT-AFIMGQEJSA-N 2 1 286.419 2.424 20 0 CEADMP CC(C)(C)CNC(=O)C(C)(C)[NH2+]CCC[NH+]1CCCCC1 ZINC000162190422 527686052 /nfs/dbraw/zinc/68/60/52/527686052.db2.gz RBHNQUVPOGQHTF-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)[C@H](C)C1 ZINC000414305175 527882474 /nfs/dbraw/zinc/88/24/74/527882474.db2.gz FMBFSRLXHNZDMZ-UNEWFSDZSA-N 2 1 294.414 2.222 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)[C@]12CCCO2 ZINC000354984703 527950045 /nfs/dbraw/zinc/95/00/45/527950045.db2.gz QELGPHXEJXBIPC-DMRKSPOLSA-N 2 1 296.455 2.033 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)Nc1cc[nH+]cc1C(=O)OCC ZINC000357817389 527992856 /nfs/dbraw/zinc/99/28/56/527992856.db2.gz ZGJLIZQKMPEESZ-ZDUSSCGKSA-N 2 1 293.411 2.213 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)Nc1cc[nH+]cc1C(=O)OCC ZINC000357817389 527992860 /nfs/dbraw/zinc/99/28/60/527992860.db2.gz ZGJLIZQKMPEESZ-ZDUSSCGKSA-N 2 1 293.411 2.213 20 0 CEADMP CCN(CC)c1ncc(C[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000414822108 528317361 /nfs/dbraw/zinc/31/73/61/528317361.db2.gz CAYLWLSRRSLBSV-GFCCVEGCSA-N 2 1 282.457 2.079 20 0 CEADMP CCC(CC)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000359976790 528754025 /nfs/dbraw/zinc/75/40/25/528754025.db2.gz VJIGMTVKZZGGCL-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccoc1C ZINC000414434224 529071601 /nfs/dbraw/zinc/07/16/01/529071601.db2.gz CUPAMRCYJZIRIC-QGZVFWFLSA-N 2 1 293.455 2.436 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000355101931 529282390 /nfs/dbraw/zinc/28/23/90/529282390.db2.gz IIVGYODKFIHVOP-PMPSAXMXSA-N 2 1 295.471 2.132 20 0 CEADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000355101924 529282616 /nfs/dbraw/zinc/28/26/16/529282616.db2.gz IIVGYODKFIHVOP-OAGGEKHMSA-N 2 1 295.471 2.132 20 0 CEADMP Cc1ccc(C)c(C[N@H+](C)C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000759632681 574516649 /nfs/dbraw/zinc/51/66/49/574516649.db2.gz SBYZKOPJXWUPQJ-QGZVFWFLSA-N 2 1 276.424 2.192 20 0 CEADMP Cc1ccc(C)c(C[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000759632681 574516650 /nfs/dbraw/zinc/51/66/50/574516650.db2.gz SBYZKOPJXWUPQJ-QGZVFWFLSA-N 2 1 276.424 2.192 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)CC[NH+]1CCCC1 ZINC000732287381 574617922 /nfs/dbraw/zinc/61/79/22/574617922.db2.gz WDDVAQHRRGYEPS-UHFFFAOYSA-N 2 1 283.460 2.053 20 0 CEADMP c1cc(N2CCCC2)nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000733187598 574656503 /nfs/dbraw/zinc/65/65/03/574656503.db2.gz TUNGSTDWABFZOT-UONOGXRCSA-N 2 1 287.411 2.116 20 0 CEADMP c1cc(N2CCCC2)nc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000733187598 574656504 /nfs/dbraw/zinc/65/65/04/574656504.db2.gz TUNGSTDWABFZOT-UONOGXRCSA-N 2 1 287.411 2.116 20 0 CEADMP CO[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000684378473 574658463 /nfs/dbraw/zinc/65/84/63/574658463.db2.gz WJPDCAMLAKSNOM-HOTGVXAUSA-N 2 1 296.455 2.179 20 0 CEADMP C[N@@H+](C[C@@H]1CC1(Cl)Cl)CC1CC[NH+](C)CC1 ZINC000738876478 574883181 /nfs/dbraw/zinc/88/31/81/574883181.db2.gz GPUJXXMTJJCJCS-NSHDSACASA-N 2 1 265.228 2.454 20 0 CEADMP Cc1ccc(C[C@H](C)[N@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000738882396 574883576 /nfs/dbraw/zinc/88/35/76/574883576.db2.gz SHBODGJNCJJLGV-FUHWJXTLSA-N 2 1 290.451 2.315 20 0 CEADMP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000738882396 574883577 /nfs/dbraw/zinc/88/35/77/574883577.db2.gz SHBODGJNCJJLGV-FUHWJXTLSA-N 2 1 290.451 2.315 20 0 CEADMP OCCCCCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000743851170 575111023 /nfs/dbraw/zinc/11/10/23/575111023.db2.gz MQQAXTOKAFDVJK-MRXNPFEDSA-N 2 1 268.445 2.347 20 0 CEADMP CC[C@@H](C(=O)NCCn1cc[nH+]c1C(C)C)[NH+](CC)CC ZINC000746254577 575152843 /nfs/dbraw/zinc/15/28/43/575152843.db2.gz AECPPJXAIZYNAT-AWEZNQCLSA-N 2 1 294.443 2.243 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000748326998 575183153 /nfs/dbraw/zinc/18/31/53/575183153.db2.gz PDFBCXQNIWNDPL-ZDUSSCGKSA-N 2 1 294.443 2.064 20 0 CEADMP CC[C@H](C)[C@@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925848721 628953495 /nfs/dbraw/zinc/95/34/95/628953495.db2.gz JJKULHDDAQBVSS-LSDHHAIUSA-N 2 1 255.450 2.086 20 0 CEADMP CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1)[NH+]1CCCC1 ZINC000980491353 614188198 /nfs/dbraw/zinc/18/81/98/614188198.db2.gz SPWIAZASIJFPSO-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000972484522 614276727 /nfs/dbraw/zinc/27/67/27/614276727.db2.gz CTMZUGFACHFQCQ-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000972484522 614276728 /nfs/dbraw/zinc/27/67/28/614276728.db2.gz CTMZUGFACHFQCQ-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972484522 614276729 /nfs/dbraw/zinc/27/67/29/614276729.db2.gz CTMZUGFACHFQCQ-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000972485905 614532332 /nfs/dbraw/zinc/53/23/32/614532332.db2.gz PDBYIEDGDWJBDO-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000972485905 614532334 /nfs/dbraw/zinc/53/23/34/614532334.db2.gz PDBYIEDGDWJBDO-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972485905 614532335 /nfs/dbraw/zinc/53/23/35/614532335.db2.gz PDBYIEDGDWJBDO-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1C[NH+](C(C)C)C1 ZINC000957077255 614587985 /nfs/dbraw/zinc/58/79/85/614587985.db2.gz UJSFOCHLHVSLHU-UHFFFAOYSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC)CC1 ZINC000963385989 614659339 /nfs/dbraw/zinc/65/93/39/614659339.db2.gz RYPPHAOWEYZHDW-UYSNPLJNSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C(C)C ZINC000960662590 614660640 /nfs/dbraw/zinc/66/06/40/614660640.db2.gz CFTUVZWQYPZJGP-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)C(C)C ZINC000960662590 614660643 /nfs/dbraw/zinc/66/06/43/614660643.db2.gz CFTUVZWQYPZJGP-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)C(C)C ZINC000960662590 614660645 /nfs/dbraw/zinc/66/06/45/614660645.db2.gz CFTUVZWQYPZJGP-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CC)C1 ZINC000960818043 614667101 /nfs/dbraw/zinc/66/71/01/614667101.db2.gz MNARHJOVOGHCDI-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)CC)C1 ZINC000960818043 614667105 /nfs/dbraw/zinc/66/71/05/614667105.db2.gz MNARHJOVOGHCDI-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)CC)C1 ZINC000960818043 614667108 /nfs/dbraw/zinc/66/71/08/614667108.db2.gz MNARHJOVOGHCDI-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC000960684713 614871295 /nfs/dbraw/zinc/87/12/95/614871295.db2.gz SFIRZAAUIOHJBF-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC000960684713 614871297 /nfs/dbraw/zinc/87/12/97/614871297.db2.gz SFIRZAAUIOHJBF-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC000960684713 614871298 /nfs/dbraw/zinc/87/12/98/614871298.db2.gz SFIRZAAUIOHJBF-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981338090 614913360 /nfs/dbraw/zinc/91/33/60/614913360.db2.gz SDHOSIDVZMJQBJ-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP CCCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000957424263 614963723 /nfs/dbraw/zinc/96/37/23/614963723.db2.gz LROFMUQSZHWGAG-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000957424263 614963726 /nfs/dbraw/zinc/96/37/26/614963726.db2.gz LROFMUQSZHWGAG-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C(C)C)C1 ZINC000970451963 614980626 /nfs/dbraw/zinc/98/06/26/614980626.db2.gz WSZIWOPEMVZLBA-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP Cn1ncc(C[NH2+]CCC[NH+]2CCCCC2)c1C1CC1 ZINC000892460460 625518556 /nfs/dbraw/zinc/51/85/56/625518556.db2.gz CYCANFYWXGOVLC-UHFFFAOYSA-N 2 1 276.428 2.263 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+](Cc2ncccc2Br)CC1 ZINC000310441414 625568254 /nfs/dbraw/zinc/56/82/54/625568254.db2.gz PTJGGSIJRJBPBW-JTQLQIEISA-N 2 1 298.228 2.403 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(F)nc2)C1 ZINC000858244994 622553583 /nfs/dbraw/zinc/55/35/83/622553583.db2.gz ACTLRVRWCOYDMR-CYBMUJFWSA-N 2 1 251.349 2.042 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(F)nc2)C1 ZINC000858244994 622553589 /nfs/dbraw/zinc/55/35/89/622553589.db2.gz ACTLRVRWCOYDMR-CYBMUJFWSA-N 2 1 251.349 2.042 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000890896510 623049698 /nfs/dbraw/zinc/04/96/98/623049698.db2.gz WQVRZNXTSHVTOY-JYJNAYRXSA-N 2 1 295.471 2.096 20 0 CEADMP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000261610927 623397413 /nfs/dbraw/zinc/39/74/13/623397413.db2.gz DXXOJAJXNMZWHW-OWCLPIDISA-N 2 1 293.455 2.027 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C12CCC2 ZINC000308370788 623676108 /nfs/dbraw/zinc/67/61/08/623676108.db2.gz PREOFTVHJVCHMZ-MELADBBJSA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C12CCC2 ZINC000308370788 623676111 /nfs/dbraw/zinc/67/61/11/623676111.db2.gz PREOFTVHJVCHMZ-MELADBBJSA-N 2 1 254.418 2.262 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000160999988 623692357 /nfs/dbraw/zinc/69/23/57/623692357.db2.gz NOFAFXWDLPESQL-CVEARBPZSA-N 3 1 267.461 2.323 20 0 CEADMP Clc1ccc(CC[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000308462426 623711644 /nfs/dbraw/zinc/71/16/44/623711644.db2.gz SIEIGNRWBFFNNG-CVEARBPZSA-N 2 1 294.826 2.335 20 0 CEADMP Clc1ccc(CC[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000308462426 623711646 /nfs/dbraw/zinc/71/16/46/623711646.db2.gz SIEIGNRWBFFNNG-CVEARBPZSA-N 2 1 294.826 2.335 20 0 CEADMP Cc1cc(N)nc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000891505032 623750193 /nfs/dbraw/zinc/75/01/93/623750193.db2.gz DUIBJIIUQWHTJK-AWEZNQCLSA-N 2 1 283.379 2.054 20 0 CEADMP Cc1cc(N)nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000891505032 623750197 /nfs/dbraw/zinc/75/01/97/623750197.db2.gz DUIBJIIUQWHTJK-AWEZNQCLSA-N 2 1 283.379 2.054 20 0 CEADMP C[N@@H+](Cc1cccc2c1OCC2)C[C@@H]1CCC[NH+](C)C1 ZINC000891669792 623878756 /nfs/dbraw/zinc/87/87/56/623878756.db2.gz FJKNEBQEJYHVMK-CQSZACIVSA-N 2 1 274.408 2.395 20 0 CEADMP C[N@H+](Cc1cccc2c1OCC2)C[C@@H]1CCC[NH+](C)C1 ZINC000891669792 623878767 /nfs/dbraw/zinc/87/87/67/623878767.db2.gz FJKNEBQEJYHVMK-CQSZACIVSA-N 2 1 274.408 2.395 20 0 CEADMP C[NH+](Cc1cccc2c1OCC2)C[C@@H]1CCC[N@H+](C)C1 ZINC000891669792 623878774 /nfs/dbraw/zinc/87/87/74/623878774.db2.gz FJKNEBQEJYHVMK-CQSZACIVSA-N 2 1 274.408 2.395 20 0 CEADMP C[NH+](Cc1cccc2c1OCC2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000891669792 623878787 /nfs/dbraw/zinc/87/87/87/623878787.db2.gz FJKNEBQEJYHVMK-CQSZACIVSA-N 2 1 274.408 2.395 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000891904608 624086098 /nfs/dbraw/zinc/08/60/98/624086098.db2.gz LDRNSLASULKZQD-AWEZNQCLSA-N 2 1 298.475 2.018 20 0 CEADMP CN1CC[N@@H+](CC2CC[NH+](C)CC2)Cc2ccccc21 ZINC000891923650 624101856 /nfs/dbraw/zinc/10/18/56/624101856.db2.gz HSWBXJRLTNIQIN-UHFFFAOYSA-N 2 1 273.424 2.280 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCOC12CCCC2 ZINC000934386766 624460361 /nfs/dbraw/zinc/46/03/61/624460361.db2.gz QNVLXNITJWGWNC-KBPBESRZSA-N 2 1 252.402 2.162 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(OC)n1 ZINC000926476153 624871264 /nfs/dbraw/zinc/87/12/64/624871264.db2.gz ZAMLMIFUXDSNPQ-QWHCGFSZSA-N 2 1 265.401 2.329 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001023446000 625016062 /nfs/dbraw/zinc/01/60/62/625016062.db2.gz GXXVJPOBNYNHMW-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001023446000 625016063 /nfs/dbraw/zinc/01/60/63/625016063.db2.gz GXXVJPOBNYNHMW-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001023446000 625016065 /nfs/dbraw/zinc/01/60/65/625016065.db2.gz GXXVJPOBNYNHMW-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CCO1 ZINC000926605901 625258338 /nfs/dbraw/zinc/25/83/38/625258338.db2.gz ZEPLODQLNVIRNT-UCHQMPSGSA-N 2 1 296.455 2.175 20 0 CEADMP [NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)NC1CC1 ZINC000309669402 625262772 /nfs/dbraw/zinc/26/27/72/625262772.db2.gz RQCPSNPUPZXEOY-HNNXBMFYSA-N 2 1 286.423 2.175 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000926738493 625929672 /nfs/dbraw/zinc/92/96/72/625929672.db2.gz LVPSQCIXYNLGHO-XNHLSEOASA-N 2 1 291.483 2.038 20 0 CEADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000926738493 625929676 /nfs/dbraw/zinc/92/96/76/625929676.db2.gz LVPSQCIXYNLGHO-XNHLSEOASA-N 2 1 291.483 2.038 20 0 CEADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926738493 625929682 /nfs/dbraw/zinc/92/96/82/625929682.db2.gz LVPSQCIXYNLGHO-XNHLSEOASA-N 2 1 291.483 2.038 20 0 CEADMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000926738493 625929684 /nfs/dbraw/zinc/92/96/84/625929684.db2.gz LVPSQCIXYNLGHO-XNHLSEOASA-N 3 1 291.483 2.038 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000926738493 625929691 /nfs/dbraw/zinc/92/96/91/625929691.db2.gz LVPSQCIXYNLGHO-XNHLSEOASA-N 3 1 291.483 2.038 20 0 CEADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000926738493 625929695 /nfs/dbraw/zinc/92/96/95/625929695.db2.gz LVPSQCIXYNLGHO-XNHLSEOASA-N 3 1 291.483 2.038 20 0 CEADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926738493 625929698 /nfs/dbraw/zinc/92/96/98/625929698.db2.gz LVPSQCIXYNLGHO-XNHLSEOASA-N 3 1 291.483 2.038 20 0 CEADMP Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)cn2ccnc12 ZINC000820592730 634465050 /nfs/dbraw/zinc/46/50/50/634465050.db2.gz QSXUPADZTCJCTO-CQSZACIVSA-N 2 1 286.379 2.454 20 0 CEADMP Cc1cc(NC(=O)[C@H]2CCCN2C(C)C)cn2ccnc12 ZINC000820592730 634465053 /nfs/dbraw/zinc/46/50/53/634465053.db2.gz QSXUPADZTCJCTO-CQSZACIVSA-N 2 1 286.379 2.454 20 0 CEADMP c1cncc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000820806645 634534111 /nfs/dbraw/zinc/53/41/11/634534111.db2.gz NCGBTDZHLGKDNG-ZXFUBFMLSA-N 2 1 271.408 2.372 20 0 CEADMP OCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000820810282 634536449 /nfs/dbraw/zinc/53/64/49/634536449.db2.gz TVZGUXRJJWDWEA-ZNXRZULTSA-N 2 1 286.419 2.426 20 0 CEADMP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000892576917 627284113 /nfs/dbraw/zinc/28/41/13/627284113.db2.gz LGZHXDWKJYWYIB-CABCVRRESA-N 3 1 267.461 2.038 20 0 CEADMP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000892576917 627284118 /nfs/dbraw/zinc/28/41/18/627284118.db2.gz LGZHXDWKJYWYIB-CABCVRRESA-N 3 1 267.461 2.038 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)[C@H]1OC ZINC000892583322 627289626 /nfs/dbraw/zinc/28/96/26/627289626.db2.gz CDAPQRZZYMTXIK-YYIAUSFCSA-N 2 1 298.471 2.281 20 0 CEADMP C[NH+](C)[C@H](C[NH2+]CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000892598334 627299845 /nfs/dbraw/zinc/29/98/45/627299845.db2.gz YNFXKDZLGSXSBI-QGZVFWFLSA-N 3 1 281.488 2.428 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cnc1F ZINC000892608662 627307762 /nfs/dbraw/zinc/30/77/62/627307762.db2.gz RPMLRMWHTSOMTG-KGLIPLIRSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cnc1F ZINC000892608662 627307764 /nfs/dbraw/zinc/30/77/64/627307764.db2.gz RPMLRMWHTSOMTG-KGLIPLIRSA-N 2 1 263.360 2.246 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C[NH+]1CCCCC1 ZINC000902320243 634569403 /nfs/dbraw/zinc/56/94/03/634569403.db2.gz PGTYAZMYUVXYFC-JKSUJKDBSA-N 3 1 281.488 2.476 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]CC1CC[NH+](C)CC1 ZINC000892675020 627392483 /nfs/dbraw/zinc/39/24/83/627392483.db2.gz NFUIVOIZYYTZHA-OAGGEKHMSA-N 3 1 281.488 2.284 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902326640 634589263 /nfs/dbraw/zinc/58/92/63/634589263.db2.gz CFDWLMPRHXUISB-MRXNPFEDSA-N 3 1 281.488 2.476 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000926840559 627738348 /nfs/dbraw/zinc/73/83/48/627738348.db2.gz GPWHVVWKFOMQPX-PEUVFPKISA-N 2 1 266.429 2.121 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000892745506 627744381 /nfs/dbraw/zinc/74/43/81/627744381.db2.gz QXIPOEGKTOCDJQ-NFOMZHRRSA-N 2 1 254.418 2.002 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902337242 634598432 /nfs/dbraw/zinc/59/84/32/634598432.db2.gz PYWKPRKKCCGBLG-SOUVJXGZSA-N 2 1 267.461 2.227 20 0 CEADMP C[N@@H+](CCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCCCC1 ZINC000328423920 627882096 /nfs/dbraw/zinc/88/20/96/627882096.db2.gz KXDDDNJRIRQBJT-KVDVXYDOSA-N 2 1 291.483 2.227 20 0 CEADMP C[C@H]([NH3+])[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000925514867 628052540 /nfs/dbraw/zinc/05/25/40/628052540.db2.gz GQCLEUUMQSSOME-UGQVUOCMSA-N 2 1 261.413 2.147 20 0 CEADMP C[NH+](C)CC1(CNc2nccn3c[nH+]cc23)CCCC1 ZINC000893182234 628097716 /nfs/dbraw/zinc/09/77/16/628097716.db2.gz KGMRNQOVWWNLLD-UHFFFAOYSA-N 2 1 273.384 2.263 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)[C@H]1OC ZINC000893200476 628123240 /nfs/dbraw/zinc/12/32/40/628123240.db2.gz PLUBCKJLKZVBOP-YYIAUSFCSA-N 2 1 298.471 2.136 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C[N@H+]1C1CC1 ZINC000925542080 628171969 /nfs/dbraw/zinc/17/19/69/628171969.db2.gz NDQBHDCPDNDLJY-RQJABVFESA-N 2 1 265.445 2.107 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CN1C1CC1 ZINC000925542080 628171970 /nfs/dbraw/zinc/17/19/70/628171970.db2.gz NDQBHDCPDNDLJY-RQJABVFESA-N 2 1 265.445 2.107 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902391899 634631901 /nfs/dbraw/zinc/63/19/01/634631901.db2.gz IRVMCNHWDFSDJI-KGLIPLIRSA-N 2 1 267.461 2.227 20 0 CEADMP Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)nc1 ZINC000925557583 628222810 /nfs/dbraw/zinc/22/28/10/628222810.db2.gz CFQUUJPYNDDPEE-JKSUJKDBSA-N 2 1 277.387 2.479 20 0 CEADMP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925574034 628249864 /nfs/dbraw/zinc/24/98/64/628249864.db2.gz RCSQWEUWPUFYSW-KCPJHIHWSA-N 2 1 280.387 2.368 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1cccc(OC(F)F)c1 ZINC000902416668 634642485 /nfs/dbraw/zinc/64/24/85/634642485.db2.gz WAPMYUAXKXAZQD-VIFPVBQESA-N 2 1 256.296 2.430 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925611028 628292980 /nfs/dbraw/zinc/29/29/80/628292980.db2.gz JSGXXTHXNSKQKN-CYBMUJFWSA-N 2 1 254.418 2.192 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H](c2ccccc2)[C@H](C)[NH3+])C1 ZINC000925612947 628296153 /nfs/dbraw/zinc/29/61/53/628296153.db2.gz ONIKDRZTGFMCHK-ZMSDIMECSA-N 2 1 275.440 2.396 20 0 CEADMP CCOc1cccc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925617730 628305269 /nfs/dbraw/zinc/30/52/69/628305269.db2.gz RJCWFAURYIFWLM-OAHLLOKOSA-N 2 1 262.397 2.358 20 0 CEADMP O[C@]1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCc2ccccc21 ZINC000925621650 628313834 /nfs/dbraw/zinc/31/38/34/628313834.db2.gz JCQKIPDEYKBFBW-WMZOPIPTSA-N 2 1 286.419 2.085 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925644698 628343026 /nfs/dbraw/zinc/34/30/26/628343026.db2.gz LDHVVKACLXUZMU-IAGOWNOFSA-N 2 1 288.435 2.163 20 0 CEADMP COc1ccc(F)cc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925646409 628348022 /nfs/dbraw/zinc/34/80/22/628348022.db2.gz UYSXJHIZAGROPR-UONOGXRCSA-N 2 1 264.344 2.194 20 0 CEADMP Cc1cc(Cl)nc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925659598 628371533 /nfs/dbraw/zinc/37/15/33/628371533.db2.gz FBEIGGDXKUNOBF-RYUDHWBXSA-N 2 1 265.788 2.403 20 0 CEADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925683778 628487128 /nfs/dbraw/zinc/48/71/28/628487128.db2.gz ARDLGDJNFYQJAI-OZVIIMIRSA-N 2 1 280.387 2.495 20 0 CEADMP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc3cncn3c2)C1 ZINC000925692319 628510327 /nfs/dbraw/zinc/51/03/27/628510327.db2.gz JOXHLKBXVJTQNO-KBPBESRZSA-N 2 1 272.396 2.330 20 0 CEADMP Cc1nc2c(o1)CCC[C@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000925710618 628558094 /nfs/dbraw/zinc/55/80/94/628558094.db2.gz QIMALTAATDZYFG-CYBMUJFWSA-N 2 1 261.369 2.212 20 0 CEADMP Cc1nc2c(o1)CCC[C@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925710618 628558098 /nfs/dbraw/zinc/55/80/98/628558098.db2.gz QIMALTAATDZYFG-CYBMUJFWSA-N 2 1 261.369 2.212 20 0 CEADMP C(N[C@@H]1CC[NH2+]C12CCCC2)C1CC[NH+](CC2CC2)CC1 ZINC000925718816 628582946 /nfs/dbraw/zinc/58/29/46/628582946.db2.gz YUIIZTNXWOUCTE-QGZVFWFLSA-N 2 1 291.483 2.373 20 0 CEADMP C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902475364 634666765 /nfs/dbraw/zinc/66/67/65/634666765.db2.gz JSVZFTLQJUXZSE-RXABAKJHSA-N 2 1 299.462 2.380 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH2+]C3(C)C)C2)cc1 ZINC000925721877 628589716 /nfs/dbraw/zinc/58/97/16/628589716.db2.gz HNNRCXWRHCRBDF-IRXDYDNUSA-N 2 1 287.451 2.299 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1OC ZINC000253179330 628635678 /nfs/dbraw/zinc/63/56/78/628635678.db2.gz CSUPFAOWDSJYAH-TZMCWYRMSA-N 2 1 278.396 2.121 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1OC ZINC000253179330 628635679 /nfs/dbraw/zinc/63/56/79/628635679.db2.gz CSUPFAOWDSJYAH-TZMCWYRMSA-N 2 1 278.396 2.121 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)c1c[nH+]ccc1N ZINC000902462114 634680694 /nfs/dbraw/zinc/68/06/94/634680694.db2.gz SVTJNIOZGMUEAB-RYUDHWBXSA-N 2 1 263.385 2.492 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)[C@@H]1CCCC[NH2+]1 ZINC000925773319 628781539 /nfs/dbraw/zinc/78/15/39/628781539.db2.gz MNKBKUONPAPRSQ-RDBSUJKOSA-N 2 1 252.402 2.066 20 0 CEADMP CCCCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(C)C ZINC000902470810 634686793 /nfs/dbraw/zinc/68/67/93/634686793.db2.gz HBWDJPNNFPXDAI-QRTUWBSPSA-N 2 1 266.429 2.453 20 0 CEADMP CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000893626161 628829194 /nfs/dbraw/zinc/82/91/94/628829194.db2.gz JCIKPWHSCUEXEU-INIZCTEOSA-N 2 1 296.455 2.382 20 0 CEADMP C1CC([C@@H]2CC[C@H]2[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000925789581 628831641 /nfs/dbraw/zinc/83/16/41/628831641.db2.gz ABCFGKMPUDPSNK-OWCLPIDISA-N 2 1 278.440 2.313 20 0 CEADMP C(C[C@@H]1CC[C@@H]2C[C@@H]21)[NH2+][C@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000925804479 628854614 /nfs/dbraw/zinc/85/46/14/628854614.db2.gz IISYQKMYFREJKS-QROFKTNTSA-N 2 1 278.440 2.169 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925806219 628857407 /nfs/dbraw/zinc/85/74/07/628857407.db2.gz YGXZNJAEVLDSGS-YOEHRIQHSA-N 2 1 284.407 2.145 20 0 CEADMP C(CCN[C@H]1CC[NH2+]C12CCC2)CCC1CC[NH2+]CC1 ZINC000925806720 628858184 /nfs/dbraw/zinc/85/81/84/628858184.db2.gz GXVDKDDIQRYYGK-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP C(Cc1nc2c(s1)CCC2)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925829642 628922252 /nfs/dbraw/zinc/92/22/52/628922252.db2.gz FQMOBYVIGLBNQB-CYBMUJFWSA-N 2 1 277.437 2.049 20 0 CEADMP FCC[C@@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925846704 628949569 /nfs/dbraw/zinc/94/95/69/628949569.db2.gz OLTSZIMDDISEAA-JKSUJKDBSA-N 2 1 285.451 2.180 20 0 CEADMP CCn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccccc2)n1 ZINC000894097806 629123788 /nfs/dbraw/zinc/12/37/88/629123788.db2.gz QIAWZYSCFIUEJN-HZPDHXFCSA-N 2 1 296.418 2.221 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c(OC)c1 ZINC000261701402 629124921 /nfs/dbraw/zinc/12/49/21/629124921.db2.gz IMIATQKQZWCYRI-OAHLLOKOSA-N 2 1 278.396 2.182 20 0 CEADMP C(COC1CCSCC1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000902517987 634711313 /nfs/dbraw/zinc/71/13/13/634711313.db2.gz JPPUJQBECYBTAP-CQSZACIVSA-N 2 1 284.469 2.163 20 0 CEADMP CCC[NH+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000067227177 629180146 /nfs/dbraw/zinc/18/01/46/629180146.db2.gz NUYMSIATJNRPLJ-UHFFFAOYSA-N 2 1 277.412 2.235 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc[nH]1 ZINC000894180066 629192886 /nfs/dbraw/zinc/19/28/86/629192886.db2.gz IVEABYSYGDTPKW-CYBMUJFWSA-N 2 1 250.390 2.154 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c[nH]cn1 ZINC000894180066 629192889 /nfs/dbraw/zinc/19/28/89/629192889.db2.gz IVEABYSYGDTPKW-CYBMUJFWSA-N 2 1 250.390 2.154 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c[nH]cn1 ZINC000894180066 629192892 /nfs/dbraw/zinc/19/28/92/629192892.db2.gz IVEABYSYGDTPKW-CYBMUJFWSA-N 2 1 250.390 2.154 20 0 CEADMP CC(C)C1(C[NH2+]CCCN2CCC[N@@H+](C)CC2)CC1 ZINC000894374948 629406060 /nfs/dbraw/zinc/40/60/60/629406060.db2.gz HLHHDHSDBDETOJ-UHFFFAOYSA-N 2 1 267.461 2.040 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)CCO1 ZINC000261995805 629417516 /nfs/dbraw/zinc/41/75/16/629417516.db2.gz KSNPDCUUKKLHJP-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000894455124 629472624 /nfs/dbraw/zinc/47/26/24/629472624.db2.gz FIADRXJWIATBMY-UONOGXRCSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262030746 629475556 /nfs/dbraw/zinc/47/55/56/629475556.db2.gz NZXDIHHYCVAWLJ-UHFFFAOYSA-N 2 1 262.401 2.040 20 0 CEADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CCc1c[nH+]cn1C ZINC000902622114 634749736 /nfs/dbraw/zinc/74/97/36/634749736.db2.gz YONMMPSDHQABLB-UHFFFAOYSA-N 2 1 275.400 2.147 20 0 CEADMP CO[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CC1(C)C ZINC000894724421 629614386 /nfs/dbraw/zinc/61/43/86/629614386.db2.gz ZPMBFTRMUFJVRH-AWEZNQCLSA-N 2 1 254.418 2.075 20 0 CEADMP COC(=O)[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)CC(C)C ZINC000894791404 629637158 /nfs/dbraw/zinc/63/71/58/629637158.db2.gz SARJOYKLDQKSJE-ZDUSSCGKSA-N 2 1 282.428 2.038 20 0 CEADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCC(C)(O)CC1 ZINC000894794874 629643771 /nfs/dbraw/zinc/64/37/71/629643771.db2.gz VCXZSEIAIBHBHE-UHFFFAOYSA-N 2 1 254.418 2.144 20 0 CEADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCC(C)(O)CC1 ZINC000894794874 629643772 /nfs/dbraw/zinc/64/37/72/629643772.db2.gz VCXZSEIAIBHBHE-UHFFFAOYSA-N 2 1 254.418 2.144 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CSC[C@H]1C ZINC000796400851 629887323 /nfs/dbraw/zinc/88/73/23/629887323.db2.gz ZKYGTJKVJWLKDP-NQBHXWOUSA-N 2 1 253.415 2.169 20 0 CEADMP COc1cc(C)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C)n1 ZINC000262127139 629902283 /nfs/dbraw/zinc/90/22/83/629902283.db2.gz XWFOMODKRXRBMX-UHFFFAOYSA-N 2 1 289.423 2.283 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnn(C)c1C1CC1 ZINC000895137963 629948086 /nfs/dbraw/zinc/94/80/86/629948086.db2.gz TZCOMKPESDVYDU-UHFFFAOYSA-N 2 1 278.444 2.365 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnn(C)c1C1CC1 ZINC000895137963 629948090 /nfs/dbraw/zinc/94/80/90/629948090.db2.gz TZCOMKPESDVYDU-UHFFFAOYSA-N 2 1 278.444 2.365 20 0 CEADMP COc1cc(C)ccc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895291337 630081228 /nfs/dbraw/zinc/08/12/28/630081228.db2.gz CYGMAKNQSFDGQT-ZDUSSCGKSA-N 2 1 250.386 2.433 20 0 CEADMP CCOC(CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)OCC ZINC000796961398 630082799 /nfs/dbraw/zinc/08/27/99/630082799.db2.gz MRENTJDKWWCELJ-KFWWJZLASA-N 2 1 284.444 2.238 20 0 CEADMP C[C@@H](CC[NH2+]Cc1ccc2c(c1)sc(=O)n2C)[NH+](C)C ZINC000895294995 630083958 /nfs/dbraw/zinc/08/39/58/630083958.db2.gz XPSSFYNPZSBWAM-NSHDSACASA-N 2 1 293.436 2.030 20 0 CEADMP CC1(C)COC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895360099 630138752 /nfs/dbraw/zinc/13/87/52/630138752.db2.gz NBAATCUUGWZBPC-LSDHHAIUSA-N 2 1 266.429 2.123 20 0 CEADMP Cc1[nH+]cc(CN2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)n1C ZINC000895379528 630150733 /nfs/dbraw/zinc/15/07/33/630150733.db2.gz LRPLWJIQYMAHHY-XJKSGUPXSA-N 2 1 278.444 2.281 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)CC1 ZINC000895579044 630263977 /nfs/dbraw/zinc/26/39/77/630263977.db2.gz VYNHBUBUWGHMNI-KGLIPLIRSA-N 2 1 254.443 2.298 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)n(-c2ccncc2)n1 ZINC000895847258 630374112 /nfs/dbraw/zinc/37/41/12/630374112.db2.gz YSGXXXMFEKQUJE-PBHICJAKSA-N 2 1 298.390 2.268 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)n(-c2cc[nH+]cc2)n1 ZINC000895847258 630374119 /nfs/dbraw/zinc/37/41/19/630374119.db2.gz YSGXXXMFEKQUJE-PBHICJAKSA-N 2 1 298.390 2.268 20 0 CEADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C1 ZINC000902757545 634812406 /nfs/dbraw/zinc/81/24/06/634812406.db2.gz UVEKBCPFQCOAIV-KFWWJZLASA-N 2 1 254.418 2.264 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CCOCC1 ZINC000902804071 634829837 /nfs/dbraw/zinc/82/98/37/634829837.db2.gz MMPOKSHDKFNBEE-QDMKHBRRSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925137784 630754293 /nfs/dbraw/zinc/75/42/93/630754293.db2.gz ALXMMGFQELOXBD-OFQRWUPVSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925137784 630754295 /nfs/dbraw/zinc/75/42/95/630754295.db2.gz ALXMMGFQELOXBD-OFQRWUPVSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000788020156 630998432 /nfs/dbraw/zinc/99/84/32/630998432.db2.gz NZOVWLIKWVVDOE-ZDUSSCGKSA-N 2 1 299.459 2.173 20 0 CEADMP CCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904317040 635564965 /nfs/dbraw/zinc/56/49/65/635564965.db2.gz UKRVXWIINJRYTG-CABCVRRESA-N 2 1 297.487 2.378 20 0 CEADMP CCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904317040 635564968 /nfs/dbraw/zinc/56/49/68/635564968.db2.gz UKRVXWIINJRYTG-CABCVRRESA-N 2 1 297.487 2.378 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000904317365 635565083 /nfs/dbraw/zinc/56/50/83/635565083.db2.gz VJIZDPLZPAQUPD-KBPBESRZSA-N 2 1 284.444 2.225 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000904317365 635565084 /nfs/dbraw/zinc/56/50/84/635565084.db2.gz VJIZDPLZPAQUPD-KBPBESRZSA-N 2 1 284.444 2.225 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCO)[C@H]2CCCc3ccccc32)C1 ZINC000904320219 635566753 /nfs/dbraw/zinc/56/67/53/635566753.db2.gz DWWZPYDROSTMAN-LXZKKBNFSA-N 2 1 274.408 2.096 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](c2ccc(F)cc2)O1 ZINC000904323106 635569541 /nfs/dbraw/zinc/56/95/41/635569541.db2.gz MNLUKQPLTQWSLJ-YXAMBPQSSA-N 2 1 278.371 2.325 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CCO)Cc2ccccc2)[C@@H](C)C1 ZINC000799730551 631073042 /nfs/dbraw/zinc/07/30/42/631073042.db2.gz HSRQVMOGUKLOHB-SZMVWBNQSA-N 2 1 290.451 2.300 20 0 CEADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCN)[C@@H]2CCCC[C@H]12 ZINC000262961648 631289111 /nfs/dbraw/zinc/28/91/11/631289111.db2.gz KUFLIXFWADRINM-AALSBFMBSA-N 2 1 295.471 2.129 20 0 CEADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[NH3+])[C@@H]2CCCC[C@H]12 ZINC000262961648 631289118 /nfs/dbraw/zinc/28/91/18/631289118.db2.gz KUFLIXFWADRINM-AALSBFMBSA-N 2 1 295.471 2.129 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nccs3)C2)CC1 ZINC000798956796 631310849 /nfs/dbraw/zinc/31/08/49/631310849.db2.gz AAFUUGSREKXJHB-UHFFFAOYSA-N 2 1 265.426 2.451 20 0 CEADMP C1CC2(CCOCC2)[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000800477277 631581957 /nfs/dbraw/zinc/58/19/57/631581957.db2.gz UBQMRXYEGKWRIX-RRFJBIMHSA-N 2 1 264.413 2.162 20 0 CEADMP CC(=O)Nc1ccc(CN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC000897621451 631825936 /nfs/dbraw/zinc/82/59/36/631825936.db2.gz BPTFQHROCRFUET-WBVHZDCISA-N 2 1 287.407 2.029 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000897621451 631825947 /nfs/dbraw/zinc/82/59/47/631825947.db2.gz BPTFQHROCRFUET-WBVHZDCISA-N 2 1 287.407 2.029 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000897621451 631825951 /nfs/dbraw/zinc/82/59/51/631825951.db2.gz BPTFQHROCRFUET-WBVHZDCISA-N 2 1 287.407 2.029 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCO1 ZINC000897621823 631828136 /nfs/dbraw/zinc/82/81/36/631828136.db2.gz VONULHKBRMOBJH-CAOSSQGBSA-N 2 1 266.429 2.075 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCO1 ZINC000897621823 631828137 /nfs/dbraw/zinc/82/81/37/631828137.db2.gz VONULHKBRMOBJH-CAOSSQGBSA-N 2 1 266.429 2.075 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCO1 ZINC000897621823 631828139 /nfs/dbraw/zinc/82/81/39/631828139.db2.gz VONULHKBRMOBJH-CAOSSQGBSA-N 2 1 266.429 2.075 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCC3(CC2)OCCO3)CC[N@H+]1C ZINC000897716130 631889131 /nfs/dbraw/zinc/88/91/31/631889131.db2.gz XGZOGVPYTITHML-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP CC(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000808731500 632008457 /nfs/dbraw/zinc/00/84/57/632008457.db2.gz YXBXPDZRQOHNAK-HNNXBMFYSA-N 2 1 266.429 2.409 20 0 CEADMP CC(C)C(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000808731500 632008464 /nfs/dbraw/zinc/00/84/64/632008464.db2.gz YXBXPDZRQOHNAK-HNNXBMFYSA-N 2 1 266.429 2.409 20 0 CEADMP CC1(C)CCC[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)O1 ZINC000898047347 632011869 /nfs/dbraw/zinc/01/18/69/632011869.db2.gz XXCSRNMNDBALLN-HOTGVXAUSA-N 2 1 296.455 2.177 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc([C@H](C)O)s2)C1 ZINC000809616780 632111642 /nfs/dbraw/zinc/11/16/42/632111642.db2.gz YZQHQOZTLUDZCL-QWHCGFSZSA-N 2 1 297.468 2.406 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnc([C@H](C)O)s2)C1 ZINC000809616780 632111646 /nfs/dbraw/zinc/11/16/46/632111646.db2.gz YZQHQOZTLUDZCL-QWHCGFSZSA-N 2 1 297.468 2.406 20 0 CEADMP C[C@H](O)c1ncc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000809623887 632114220 /nfs/dbraw/zinc/11/42/20/632114220.db2.gz CWBAIBSRBVZDPR-SRVKXCTJSA-N 2 1 283.441 2.159 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000810259740 632200372 /nfs/dbraw/zinc/20/03/72/632200372.db2.gz RHSYBSZOZCSAGQ-WZYMTQMTSA-N 2 1 267.461 2.322 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000810259740 632200374 /nfs/dbraw/zinc/20/03/74/632200374.db2.gz RHSYBSZOZCSAGQ-WZYMTQMTSA-N 2 1 267.461 2.322 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000810259740 632200379 /nfs/dbraw/zinc/20/03/79/632200379.db2.gz RHSYBSZOZCSAGQ-WZYMTQMTSA-N 2 1 267.461 2.322 20 0 CEADMP CC(C)C[N@H+]1CCCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000989728460 632232344 /nfs/dbraw/zinc/23/23/44/632232344.db2.gz KXXWTAXSWMYFLK-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP C(C[N@H+]1CC[C@H]2CSC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000866703121 632341670 /nfs/dbraw/zinc/34/16/70/632341670.db2.gz FMAJWOMWBHKPAK-IHRRRGAJSA-N 2 1 254.443 2.061 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCCc2ccccc2C1)C[NH+](C)C ZINC000926959861 632386568 /nfs/dbraw/zinc/38/65/68/632386568.db2.gz KVRYHFPHOXWSOJ-QZTJIDSGSA-N 2 1 290.451 2.490 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H](C)C1CCSCC1)C[NH+](C)C ZINC000926964535 632392963 /nfs/dbraw/zinc/39/29/63/632392963.db2.gz XSDOUISDBSDJGD-JSGCOSHPSA-N 2 1 274.474 2.074 20 0 CEADMP COC1(OC)CC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000924688589 632420329 /nfs/dbraw/zinc/42/03/29/632420329.db2.gz TVIUASFTHIWHIB-HUUCEWRRSA-N 2 1 284.444 2.240 20 0 CEADMP OCc1ccccc1CN[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924761402 632930593 /nfs/dbraw/zinc/93/05/93/632930593.db2.gz PVOIMKXZPGZKGH-IRXDYDNUSA-N 2 1 274.408 2.285 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CCC12CC[NH+](C)CC2 ZINC000899909616 633088067 /nfs/dbraw/zinc/08/80/67/633088067.db2.gz FKGJJUPSBBVYRY-HNNXBMFYSA-N 2 1 268.445 2.488 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C ZINC000816648197 633456997 /nfs/dbraw/zinc/45/69/97/633456997.db2.gz GKRJYOZGQQYWKD-ZIAGYGMSSA-N 2 1 262.397 2.467 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000817892863 633756085 /nfs/dbraw/zinc/75/60/85/633756085.db2.gz QDDPOZWYRQYUDW-OWCLPIDISA-N 2 1 262.397 2.149 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1c[nH+]ccc1N ZINC000817898280 633759316 /nfs/dbraw/zinc/75/93/16/633759316.db2.gz DRZCOGHRLCUDJB-ZUZCIYMTSA-N 2 1 275.327 2.017 20 0 CEADMP C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000817906064 633765841 /nfs/dbraw/zinc/76/58/41/633765841.db2.gz XJCOYRIWVVNCCK-LUYZLQTOSA-N 2 1 262.397 2.229 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1c[nH+]ccc1N ZINC000817918415 633777176 /nfs/dbraw/zinc/77/71/76/633777176.db2.gz JJJJGUKDNZOWOK-CHWSQXEVSA-N 2 1 291.395 2.221 20 0 CEADMP C[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000817917564 633777199 /nfs/dbraw/zinc/77/71/99/633777199.db2.gz OJCOMWVZOCYUJI-IMJJTQAJSA-N 2 1 274.408 2.230 20 0 CEADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@H]1[NH3+])CCC2 ZINC000817921705 633778874 /nfs/dbraw/zinc/77/88/74/633778874.db2.gz HPUJSDWFZSYMBK-CKYFFXLPSA-N 2 1 251.399 2.298 20 0 CEADMP C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1c[nH+]ccc1N ZINC000817928762 633783887 /nfs/dbraw/zinc/78/38/87/633783887.db2.gz AIPQSQATYXCQIU-ZFWWWQNUSA-N 2 1 285.391 2.138 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@@H]2CCC[C@H]21 ZINC000817948844 633794897 /nfs/dbraw/zinc/79/48/97/633794897.db2.gz LWECJWNWEYUZHV-OKZBNKHCSA-N 3 1 287.451 2.150 20 0 CEADMP CN1CC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@@H]2CCC[C@H]21 ZINC000817948844 633794903 /nfs/dbraw/zinc/79/49/03/633794903.db2.gz LWECJWNWEYUZHV-OKZBNKHCSA-N 2 1 287.451 2.150 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000818341130 633912706 /nfs/dbraw/zinc/91/27/06/633912706.db2.gz WFEYZVZBEYSAIK-AWEZNQCLSA-N 2 1 282.428 2.184 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000818966517 634020322 /nfs/dbraw/zinc/02/03/22/634020322.db2.gz RVLPJLCZJHECIE-BLLLJJGKSA-N 2 1 291.370 2.290 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2c(F)cccc2F)C1 ZINC000818981445 634027415 /nfs/dbraw/zinc/02/74/15/634027415.db2.gz UFPQRBRNZZXHBC-IUODEOHRSA-N 2 1 298.377 2.320 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2c(F)cccc2F)C1 ZINC000818981445 634027420 /nfs/dbraw/zinc/02/74/20/634027420.db2.gz UFPQRBRNZZXHBC-IUODEOHRSA-N 2 1 298.377 2.320 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000819099773 634067075 /nfs/dbraw/zinc/06/70/75/634067075.db2.gz AXBAIDCFZAFROG-MRXNPFEDSA-N 2 1 291.370 2.434 20 0 CEADMP Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000819221539 634108018 /nfs/dbraw/zinc/10/80/18/634108018.db2.gz XZEHEIOWUWYUEK-PBHICJAKSA-N 2 1 274.408 2.268 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902793842 634836399 /nfs/dbraw/zinc/83/63/99/634836399.db2.gz NFKUPDZGEPWZGB-IRXDYDNUSA-N 2 1 293.499 2.428 20 0 CEADMP Cc1nccn1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903071853 634966786 /nfs/dbraw/zinc/96/67/86/634966786.db2.gz BLOCSTFNZLJFFK-ZXFUBFMLSA-N 2 1 288.439 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903071853 634966788 /nfs/dbraw/zinc/96/67/88/634966788.db2.gz BLOCSTFNZLJFFK-ZXFUBFMLSA-N 3 1 288.439 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903071853 634966789 /nfs/dbraw/zinc/96/67/89/634966789.db2.gz BLOCSTFNZLJFFK-ZXFUBFMLSA-N 3 1 288.439 2.329 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903074211 634967813 /nfs/dbraw/zinc/96/78/13/634967813.db2.gz SRNXTKTUPBDBIF-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)o1 ZINC000903099527 634968539 /nfs/dbraw/zinc/96/85/39/634968539.db2.gz JBLRRAYTPQJEGV-WDVRLDOZSA-N 2 1 290.407 2.369 20 0 CEADMP OCC[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903154841 634991537 /nfs/dbraw/zinc/99/15/37/634991537.db2.gz VTKUTGGUXQJYKH-AIDGVLJZSA-N 2 1 278.440 2.285 20 0 CEADMP C[C@@H](CCCCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903178046 634999781 /nfs/dbraw/zinc/99/97/81/634999781.db2.gz CYTBUQUPEACIAK-WYQXTGKHSA-N 2 1 266.429 2.285 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903198918 635008217 /nfs/dbraw/zinc/00/82/17/635008217.db2.gz GURWFVRIHOKODH-RZWRMSEASA-N 2 1 264.413 2.301 20 0 CEADMP OC1(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903189691 635012635 /nfs/dbraw/zinc/01/26/35/635012635.db2.gz GNFVXWPIBKNOPD-VHRNVKJDSA-N 2 1 278.440 2.429 20 0 CEADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)ccn1 ZINC000903214311 635018580 /nfs/dbraw/zinc/01/85/80/635018580.db2.gz XVTWTLYTXONMKQ-LQDVMPOASA-N 2 1 275.371 2.468 20 0 CEADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)ccn1 ZINC000903214311 635018583 /nfs/dbraw/zinc/01/85/83/635018583.db2.gz XVTWTLYTXONMKQ-LQDVMPOASA-N 2 1 275.371 2.468 20 0 CEADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000903254482 635030410 /nfs/dbraw/zinc/03/04/10/635030410.db2.gz RPTHZICGPINLIY-FYNNLBNCSA-N 2 1 278.440 2.264 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C3(O)CCC3)CC2)[C@H]2CCC[C@H]21 ZINC000903257577 635031511 /nfs/dbraw/zinc/03/15/11/635031511.db2.gz HPQNIOKHFHMYJH-QLFBSQMISA-N 2 1 278.440 2.144 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CCc2ccccc2)CC[N@@H+]1C ZINC000903290570 635054129 /nfs/dbraw/zinc/05/41/29/635054129.db2.gz YXHQOKPLWJRHOC-PVAVHDDUSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CCc2ccccc2)CC[N@H+]1C ZINC000903290570 635054131 /nfs/dbraw/zinc/05/41/31/635054131.db2.gz YXHQOKPLWJRHOC-PVAVHDDUSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CC[N@@H+]3C)CC2)C1 ZINC000903321870 635055502 /nfs/dbraw/zinc/05/55/02/635055502.db2.gz JEAUADKOIOLPTG-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CC[N@H+]3C)CC2)C1 ZINC000903321870 635055505 /nfs/dbraw/zinc/05/55/05/635055505.db2.gz JEAUADKOIOLPTG-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903432878 635114825 /nfs/dbraw/zinc/11/48/25/635114825.db2.gz OLISFWDRPPEJKH-CABCVRRESA-N 2 1 284.407 2.432 20 0 CEADMP COC[C@@H](C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C(C)C ZINC000903459449 635125150 /nfs/dbraw/zinc/12/51/50/635125150.db2.gz KYWVOIBZFGQQJS-HUUCEWRRSA-N 2 1 268.445 2.369 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CCCO1 ZINC000903458905 635125260 /nfs/dbraw/zinc/12/52/60/635125260.db2.gz MROPIBVBHZYCBE-RBSFLKMASA-N 2 1 296.361 2.085 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CCCO1 ZINC000903458905 635125262 /nfs/dbraw/zinc/12/52/62/635125262.db2.gz MROPIBVBHZYCBE-RBSFLKMASA-N 2 1 296.361 2.085 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000903454853 635138049 /nfs/dbraw/zinc/13/80/49/635138049.db2.gz KYGZKFJLGSSYTG-PZWNZHSQSA-N 2 1 280.334 2.072 20 0 CEADMP CC[C@H]1CN(C[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000903457402 635140177 /nfs/dbraw/zinc/14/01/77/635140177.db2.gz RUDLRYZXTUWCOF-MSOLQXFVSA-N 2 1 287.451 2.335 20 0 CEADMP COC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903457453 635140262 /nfs/dbraw/zinc/14/02/62/635140262.db2.gz SUUHCHLERRJTMV-PVAVHDDUSA-N 2 1 276.424 2.031 20 0 CEADMP CC(C)c1noc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903497437 635158146 /nfs/dbraw/zinc/15/81/46/635158146.db2.gz XBMXJLWTKPTNSX-IJLUTSLNSA-N 2 1 266.389 2.171 20 0 CEADMP CC(C)(C)OC[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000903563460 635163355 /nfs/dbraw/zinc/16/33/55/635163355.db2.gz CZGXEMLUJQUVAJ-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+](Cc1ccccc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717707 635232160 /nfs/dbraw/zinc/23/21/60/635232160.db2.gz SZLOMCOQDVYDLV-IAGOWNOFSA-N 2 1 274.408 2.277 20 0 CEADMP c1ccc2c(c1)CC[N@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903717283 635232408 /nfs/dbraw/zinc/23/24/08/635232408.db2.gz MKHGJPUADOOVFQ-KRWDZBQOSA-N 2 1 286.419 2.203 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCCCC1 ZINC000903717121 635232464 /nfs/dbraw/zinc/23/24/64/635232464.db2.gz HDMCZVJCLJRNTH-GJZGRUSLSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@H+](Cc1ccccc1F)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903719182 635233106 /nfs/dbraw/zinc/23/31/06/635233106.db2.gz WORSWVMIJGCVMM-HNNXBMFYSA-N 2 1 292.398 2.416 20 0 CEADMP CC[N@@H+](CCc1cccs1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722712 635236221 /nfs/dbraw/zinc/23/62/21/635236221.db2.gz NZSYZQGYDJCNGF-GOEBONIOSA-N 2 1 294.464 2.381 20 0 CEADMP CC[C@H](C)C[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729675 635240706 /nfs/dbraw/zinc/24/07/06/635240706.db2.gz QKRUNBOKSBUOLC-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903732876 635243413 /nfs/dbraw/zinc/24/34/13/635243413.db2.gz HGJXMQHVHFZBKP-PMPSAXMXSA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903716229 635245442 /nfs/dbraw/zinc/24/54/42/635245442.db2.gz JYIBIHQYULEJSV-SNVBAGLBSA-N 2 1 272.751 2.139 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)OC1CCSCC1 ZINC000903749831 635248188 /nfs/dbraw/zinc/24/81/88/635248188.db2.gz PXCOTFPHUBUBKO-HUUCEWRRSA-N 2 1 298.496 2.220 20 0 CEADMP CC(C)[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCC1 ZINC000903733976 635250941 /nfs/dbraw/zinc/25/09/41/635250941.db2.gz NVJLUNZZKZEJNO-OAHLLOKOSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903734747 635251655 /nfs/dbraw/zinc/25/16/55/635251655.db2.gz VZMWNJWPAGPXFY-ILXRZTDVSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)O[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903762820 635256979 /nfs/dbraw/zinc/25/69/79/635256979.db2.gz DUZYQWFNLQEEBS-HOTGVXAUSA-N 2 1 296.455 2.035 20 0 CEADMP c1cncc([C@@H]2CC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)c1 ZINC000903763202 635257198 /nfs/dbraw/zinc/25/71/98/635257198.db2.gz IHHXBVSLDVNTOG-GOEBONIOSA-N 2 1 259.397 2.261 20 0 CEADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000903767186 635258174 /nfs/dbraw/zinc/25/81/74/635258174.db2.gz FDGDWDNDQSXSCZ-NVXWUHKLSA-N 3 1 279.472 2.088 20 0 CEADMP Cc1ccc2c(c1)C[N@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903767227 635258378 /nfs/dbraw/zinc/25/83/78/635258378.db2.gz FWUZELIKBFUTHV-ROUUACIJSA-N 2 1 286.419 2.122 20 0 CEADMP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000903765661 635258769 /nfs/dbraw/zinc/25/87/69/635258769.db2.gz JTBOHILSKBUNNN-ZACQAIPSSA-N 2 1 278.440 2.269 20 0 CEADMP CC[C@@H](C)[N@@H+](CC)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903768885 635259430 /nfs/dbraw/zinc/25/94/30/635259430.db2.gz UMPFPPHKRLLZRY-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C1=CC[C@@H]2C[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C[C@@H]2C1 ZINC000903777454 635266202 /nfs/dbraw/zinc/26/62/02/635266202.db2.gz BJIGYMQIKGBLBL-OWCLPIDISA-N 2 1 276.424 2.043 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903783158 635268300 /nfs/dbraw/zinc/26/83/00/635268300.db2.gz VFSXWZSCJDHVRQ-VXGBXAGGSA-N 2 1 280.334 2.029 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903783158 635268303 /nfs/dbraw/zinc/26/83/03/635268303.db2.gz VFSXWZSCJDHVRQ-VXGBXAGGSA-N 2 1 280.334 2.029 20 0 CEADMP CC(C)(C)OC[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903785891 635270208 /nfs/dbraw/zinc/27/02/08/635270208.db2.gz AOTSSGULSUIHQK-YQQAZPJKSA-N 2 1 296.455 2.035 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]2CC[C@]21CN)C1CCC1 ZINC000903798890 635276429 /nfs/dbraw/zinc/27/64/29/635276429.db2.gz BDUSUSYAYBKUHI-ZNMIVQPWSA-N 2 1 252.402 2.005 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+])C1CCC1 ZINC000903798890 635276436 /nfs/dbraw/zinc/27/64/36/635276436.db2.gz BDUSUSYAYBKUHI-ZNMIVQPWSA-N 2 1 252.402 2.005 20 0 CEADMP COc1cc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)on1 ZINC000903810779 635284730 /nfs/dbraw/zinc/28/47/30/635284730.db2.gz HUASVIZIAZHWAU-CYBMUJFWSA-N 2 1 279.384 2.167 20 0 CEADMP COc1cc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)on1 ZINC000903810779 635284737 /nfs/dbraw/zinc/28/47/37/635284737.db2.gz HUASVIZIAZHWAU-CYBMUJFWSA-N 2 1 279.384 2.167 20 0 CEADMP CCC(CC)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818425 635288101 /nfs/dbraw/zinc/28/81/01/635288101.db2.gz KVGAYIYOUNIDMT-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP C(CC1CC1)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818687 635288148 /nfs/dbraw/zinc/28/81/48/635288148.db2.gz SRHYXCQVHNGZKA-UHFFFAOYSA-N 2 1 252.402 2.021 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCN1c1ccccc1 ZINC000903831316 635295814 /nfs/dbraw/zinc/29/58/14/635295814.db2.gz HVNCHICEOUQJGC-HZPDHXFCSA-N 2 1 273.424 2.197 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCOCCc1ccccc1)C2 ZINC000903845317 635302707 /nfs/dbraw/zinc/30/27/07/635302707.db2.gz HZAOZIKEEIECLI-KSZLIROESA-N 2 1 288.435 2.447 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCCCC1CCOCC1 ZINC000903861258 635313318 /nfs/dbraw/zinc/31/33/18/635313318.db2.gz WMMPUZGZJMOJSG-HZPDHXFCSA-N 2 1 266.429 2.397 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCCCC1CCOCC1 ZINC000903861258 635313322 /nfs/dbraw/zinc/31/33/22/635313322.db2.gz WMMPUZGZJMOJSG-HZPDHXFCSA-N 2 1 266.429 2.397 20 0 CEADMP Cc1ccc(C[N@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903873825 635321536 /nfs/dbraw/zinc/32/15/36/635321536.db2.gz YREMWLXGGOZKKY-INIZCTEOSA-N 2 1 299.422 2.143 20 0 CEADMP Cc1ccc(C[N@@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903873825 635321543 /nfs/dbraw/zinc/32/15/43/635321543.db2.gz YREMWLXGGOZKKY-INIZCTEOSA-N 2 1 299.422 2.143 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000903875110 635322696 /nfs/dbraw/zinc/32/26/96/635322696.db2.gz MVZGAXBXYZXYFA-YHUYYLMFSA-N 2 1 266.429 2.252 20 0 CEADMP CC[N@@H+](CCc1ccccn1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903885094 635327259 /nfs/dbraw/zinc/32/72/59/635327259.db2.gz DGEITYPJAKSVMU-ZXFUBFMLSA-N 2 1 273.424 2.477 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](CC(C)C)C2)cnn1C ZINC000903893097 635328851 /nfs/dbraw/zinc/32/88/51/635328851.db2.gz QGWIUXNDHNGVIL-HZPDHXFCSA-N 2 1 292.471 2.214 20 0 CEADMP [NH3+][C@H](CC(F)F)C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000903893415 635328939 /nfs/dbraw/zinc/32/89/39/635328939.db2.gz VADOWRGKUVACGE-HIFRSBDPSA-N 2 1 298.377 2.341 20 0 CEADMP [NH3+][C@H](CC(F)F)C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000903893415 635328943 /nfs/dbraw/zinc/32/89/43/635328943.db2.gz VADOWRGKUVACGE-HIFRSBDPSA-N 2 1 298.377 2.341 20 0 CEADMP CC(C)[C@H]1CCCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903894822 635330809 /nfs/dbraw/zinc/33/08/09/635330809.db2.gz FJDGWHVACDWNBJ-GDBMZVCRSA-N 2 1 291.443 2.213 20 0 CEADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCCC[C@H]1O ZINC000903903068 635338917 /nfs/dbraw/zinc/33/89/17/635338917.db2.gz RJSRTSAMMGBYOW-SJLPKXTDSA-N 2 1 288.435 2.315 20 0 CEADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)[C@@H](C)O1 ZINC000903912720 635346256 /nfs/dbraw/zinc/34/62/56/635346256.db2.gz IFCJIKBDXYWVQU-IZLGQKESSA-N 2 1 252.402 2.015 20 0 CEADMP COc1nc2ccccc2cc1C[NH2+]CCC(C)(C)[NH3+] ZINC000903939359 635363284 /nfs/dbraw/zinc/36/32/84/635363284.db2.gz XRBQIGWSCURKNA-UHFFFAOYSA-N 2 1 273.380 2.460 20 0 CEADMP CC(C)C[C@]1(CO)CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903916602 635365587 /nfs/dbraw/zinc/36/55/87/635365587.db2.gz UGUUSZPOEDGQJG-HMQMGEFJSA-N 2 1 280.456 2.390 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000903918289 635366913 /nfs/dbraw/zinc/36/69/13/635366913.db2.gz WHEPCAQLWSMEQX-FVAVCCDCSA-N 3 1 291.483 2.229 20 0 CEADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1scnc1C1CC1 ZINC000903958247 635367537 /nfs/dbraw/zinc/36/75/37/635367537.db2.gz XTOVLECEEAGRPA-JTQLQIEISA-N 2 1 287.379 2.355 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH+]1CCC([NH3+])(CC)CC1 ZINC000903946034 635378309 /nfs/dbraw/zinc/37/83/09/635378309.db2.gz FYVYKYIFNZMQGZ-UHFFFAOYSA-N 2 1 278.444 2.248 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000903947047 635378858 /nfs/dbraw/zinc/37/88/58/635378858.db2.gz LKCRNTWASLNURH-UHFFFAOYSA-N 2 1 299.422 2.185 20 0 CEADMP Fc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955097 635389741 /nfs/dbraw/zinc/38/97/41/635389741.db2.gz KTOZYYRXDLELQR-LLVKDONJSA-N 2 1 258.287 2.160 20 0 CEADMP COc1cc(C)c(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c(C)n1 ZINC000903956737 635390552 /nfs/dbraw/zinc/39/05/52/635390552.db2.gz NUSRAOWSBLCYFY-GFCCVEGCSA-N 2 1 299.365 2.041 20 0 CEADMP CCC[C@H](CC)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972412 635391864 /nfs/dbraw/zinc/39/18/64/635391864.db2.gz HZBPYJKONVLGEB-UONOGXRCSA-N 2 1 254.418 2.313 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C[C@H]1CC[NH3+] ZINC000903977538 635394404 /nfs/dbraw/zinc/39/44/04/635394404.db2.gz SIINRKICUDWTGQ-BZPMIXESSA-N 2 1 295.452 2.411 20 0 CEADMP COc1ccc2nc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3C)sc2c1 ZINC000903967731 635401153 /nfs/dbraw/zinc/40/11/53/635401153.db2.gz MMBWOWSEWDQVGB-MNOVXSKESA-N 2 1 291.420 2.250 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000824766155 635494532 /nfs/dbraw/zinc/49/45/32/635494532.db2.gz SELGBAPEJJRWLT-JTQLQIEISA-N 2 1 251.201 2.254 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904299585 635553008 /nfs/dbraw/zinc/55/30/08/635553008.db2.gz ISSMJUFXTAEOKX-AWEZNQCLSA-N 2 1 260.381 2.182 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](c2ccsc2)O1 ZINC000904326007 635572079 /nfs/dbraw/zinc/57/20/79/635572079.db2.gz BHJRSWBSDYEWKL-VTPLQMEGSA-N 2 1 266.410 2.247 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000904326658 635572353 /nfs/dbraw/zinc/57/23/53/635572353.db2.gz PQIZTKCZYGMAJE-UKRRQHHQSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000904326658 635572354 /nfs/dbraw/zinc/57/23/54/635572354.db2.gz PQIZTKCZYGMAJE-UKRRQHHQSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C[C@@H]1n1ccnc1 ZINC000904327310 635573183 /nfs/dbraw/zinc/57/31/83/635573183.db2.gz CRANYKNXGOOKPD-OWCLPIDISA-N 2 1 276.428 2.156 20 0 CEADMP CC[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000904343837 635581904 /nfs/dbraw/zinc/58/19/04/635581904.db2.gz XWYWRVFSNCSIMT-KSZLIROESA-N 2 1 287.451 2.320 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1C ZINC000904376909 635602094 /nfs/dbraw/zinc/60/20/94/635602094.db2.gz YSOVNRDDKCPWKP-JSGCOSHPSA-N 2 1 276.380 2.093 20 0 CEADMP [NH3+]Cc1ccc(CNCc2ccc(C[NH3+])cc2F)cc1 ZINC000904376889 635602137 /nfs/dbraw/zinc/60/21/37/635602137.db2.gz YIERRJMWGNTOQO-UHFFFAOYSA-N 2 1 273.355 2.033 20 0 CEADMP C[C@H]([NH2+]C[C@H](N)CCC(C)(C)C)C1CC[NH2+]CC1 ZINC000904383961 635605521 /nfs/dbraw/zinc/60/55/21/635605521.db2.gz FHEYYVUELKKFPE-GXTWGEPZSA-N 2 1 255.450 2.118 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904384876 635606932 /nfs/dbraw/zinc/60/69/32/635606932.db2.gz OPFSDUPUNWDXSF-ZBFHGGJFSA-N 2 1 282.428 2.041 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)cnc1Cl ZINC000904406395 635613523 /nfs/dbraw/zinc/61/35/23/635613523.db2.gz SCCJNINULUDXSI-NSHDSACASA-N 2 1 253.777 2.214 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904406861 635613727 /nfs/dbraw/zinc/61/37/27/635613727.db2.gz JVILFAIQMVCBSA-ZDUSSCGKSA-N 2 1 260.381 2.182 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc3ccc(Cl)cn23)CC[C@@H]1C[NH3+] ZINC000904411888 635619393 /nfs/dbraw/zinc/61/93/93/635619393.db2.gz PPKUGKQKHSXFAY-NWDGAFQWSA-N 2 1 292.814 2.404 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000904411325 635619560 /nfs/dbraw/zinc/61/95/60/635619560.db2.gz URNGCKWMNCUOHU-GFCCVEGCSA-N 2 1 288.370 2.387 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cn(C)nc2C(C)(C)C)CC[C@H]1C[NH3+] ZINC000904411094 635619601 /nfs/dbraw/zinc/61/96/01/635619601.db2.gz JZLOHDPISHNJLU-STQMWFEESA-N 2 1 278.444 2.134 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)cc1O ZINC000904462750 635635188 /nfs/dbraw/zinc/63/51/88/635635188.db2.gz RVQJWQUUDAMAFG-MLGOLLRUSA-N 2 1 292.423 2.310 20 0 CEADMP CC1(C)C[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000904460558 635644628 /nfs/dbraw/zinc/64/46/28/635644628.db2.gz AASBKPRUEOGQEQ-WFASDCNBSA-N 2 1 260.381 2.140 20 0 CEADMP C[C@]1(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)CC[NH2+]C1 ZINC000904472725 635648519 /nfs/dbraw/zinc/64/85/19/635648519.db2.gz MQXIBTCWEFZUFF-OAGGEKHMSA-N 2 1 266.429 2.125 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnn4c3CCC4)C2)CC1 ZINC000825762836 635709756 /nfs/dbraw/zinc/70/97/56/635709756.db2.gz UQHPOJIUDQFPOS-UHFFFAOYSA-N 2 1 288.439 2.137 20 0 CEADMP [NH2+]=C(NC[C@@H]1CCCS1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000905045251 635786429 /nfs/dbraw/zinc/78/64/29/635786429.db2.gz CWMAIXMPKWEKNW-KBPBESRZSA-N 2 1 296.484 2.013 20 0 CEADMP CC[C@](O)(C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C(F)(F)F ZINC000905156622 635832790 /nfs/dbraw/zinc/83/27/90/635832790.db2.gz UYJFWMQNODFGPA-SRVKXCTJSA-N 2 1 282.350 2.152 20 0 CEADMP CC(C)CC(=O)CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000827787007 636421226 /nfs/dbraw/zinc/42/12/26/636421226.db2.gz OPDQVODVFUEAJF-UHFFFAOYSA-N 2 1 296.455 2.036 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000906510178 636761382 /nfs/dbraw/zinc/76/13/82/636761382.db2.gz PQIZCKUETKSELK-UHFFFAOYSA-N 2 1 262.250 2.424 20 0 CEADMP C[C@@H]1[C@H](C(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)CC[N@H+]1C ZINC000912648335 638753534 /nfs/dbraw/zinc/75/35/34/638753534.db2.gz GLXLOGMHOUTFMR-KLHDSHLOSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@@H]1[C@H](C(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)CC[N@H+]1C ZINC000912648337 638753720 /nfs/dbraw/zinc/75/37/20/638753720.db2.gz GLXLOGMHOUTFMR-XUWVNRHRSA-N 2 1 295.471 2.048 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Cl)nn1 ZINC000876916282 650485326 /nfs/dbraw/zinc/48/53/26/650485326.db2.gz PXOLTFAWEKYALD-JTQLQIEISA-N 2 1 279.775 2.061 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC[C@H]2CCO2)cn1 ZINC000876950945 650501494 /nfs/dbraw/zinc/50/14/94/650501494.db2.gz BJQQOGZWQZKIFX-HNNXBMFYSA-N 2 1 286.379 2.234 20 0 CEADMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1F ZINC000226434939 639544100 /nfs/dbraw/zinc/54/41/00/639544100.db2.gz ORKAWNHHPKLVNH-ZDUSSCGKSA-N 2 1 266.360 2.266 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1F ZINC000226434939 639544107 /nfs/dbraw/zinc/54/41/07/639544107.db2.gz ORKAWNHHPKLVNH-ZDUSSCGKSA-N 2 1 266.360 2.266 20 0 CEADMP C[N@@H+](CCOc1ccc(F)cc1)C[C@H]1CCC[NH2+]C1 ZINC000226435176 639544461 /nfs/dbraw/zinc/54/44/61/639544461.db2.gz LVKXBJYBODLQCH-ZDUSSCGKSA-N 2 1 266.360 2.136 20 0 CEADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)nn1 ZINC000840942649 639595541 /nfs/dbraw/zinc/59/55/41/639595541.db2.gz PWFRAIHKNRDPLI-UHFFFAOYSA-N 2 1 274.412 2.093 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+](C)Cc2cnn(-c3ccccc3)n2)CC[NH2+]1 ZINC000841008146 639616192 /nfs/dbraw/zinc/61/61/92/639616192.db2.gz WATHFWTWFNEBKG-CABCVRRESA-N 2 1 299.422 2.087 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cnn(-c3ccccc3)n2)CC[NH2+]1 ZINC000841008146 639616194 /nfs/dbraw/zinc/61/61/94/639616194.db2.gz WATHFWTWFNEBKG-CABCVRRESA-N 2 1 299.422 2.087 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cnc1Cl ZINC000841033383 639625187 /nfs/dbraw/zinc/62/51/87/639625187.db2.gz SKIIRFSEZYERFN-LLVKDONJSA-N 2 1 253.777 2.133 20 0 CEADMP C1C[C@H]2SCCS[C@H]2[C@@H]1[NH2+][C@H]1CCCC[NH2+]C1 ZINC000841091391 639654674 /nfs/dbraw/zinc/65/46/74/639654674.db2.gz WUJPMDZKQQLJBF-LOWDOPEQSA-N 2 1 272.483 2.098 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCC(C)(C)SC)CC1 ZINC000876987160 650520791 /nfs/dbraw/zinc/52/07/91/650520791.db2.gz QRHSJXFAGBWENB-UHFFFAOYSA-N 2 1 274.474 2.219 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3cccs3)C[C@@H]21 ZINC000230048126 639730067 /nfs/dbraw/zinc/73/00/67/639730067.db2.gz HGXJUZCAMXAFMY-FPMFFAJLSA-N 2 1 250.411 2.350 20 0 CEADMP Cc1cc(C)cc(CC[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000877021781 650534738 /nfs/dbraw/zinc/53/47/38/650534738.db2.gz KOZFWNJBMIVZQI-MSOLQXFVSA-N 2 1 288.435 2.299 20 0 CEADMP Cc1cc(C)cc(CC[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000877021781 650534741 /nfs/dbraw/zinc/53/47/41/650534741.db2.gz KOZFWNJBMIVZQI-MSOLQXFVSA-N 2 1 288.435 2.299 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000312046743 639993422 /nfs/dbraw/zinc/99/34/22/639993422.db2.gz ZNPMSCWQPJASAV-AWEZNQCLSA-N 2 1 279.771 2.168 20 0 CEADMP CO[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](C)C1 ZINC000312195732 640005420 /nfs/dbraw/zinc/00/54/20/640005420.db2.gz FNDCPRHQNLDLLN-CZUORRHYSA-N 2 1 274.408 2.332 20 0 CEADMP CC1(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CCCC1 ZINC000877040296 650543528 /nfs/dbraw/zinc/54/35/28/650543528.db2.gz BYJCIEIYIXWJST-OAHLLOKOSA-N 2 1 268.445 2.393 20 0 CEADMP c1cn(-c2ccccc2)nc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262064576 640252326 /nfs/dbraw/zinc/25/23/26/640252326.db2.gz RMJPDUKHQLVIPL-UHFFFAOYSA-N 2 1 296.418 2.448 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000843056289 640258848 /nfs/dbraw/zinc/25/88/48/640258848.db2.gz HJMKPPULQCCFGP-HNNXBMFYSA-N 2 1 287.411 2.073 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000843056289 640258850 /nfs/dbraw/zinc/25/88/50/640258850.db2.gz HJMKPPULQCCFGP-HNNXBMFYSA-N 2 1 287.411 2.073 20 0 CEADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354970 640401209 /nfs/dbraw/zinc/40/12/09/640401209.db2.gz HIMOTGNSXPLFQX-PRLABOORSA-N 2 1 295.471 2.225 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843362934 640405331 /nfs/dbraw/zinc/40/53/31/640405331.db2.gz JVPMYHAIFAALRO-LSDHHAIUSA-N 2 1 282.428 2.184 20 0 CEADMP CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843388585 640413864 /nfs/dbraw/zinc/41/38/64/640413864.db2.gz SSKGNDGGHBURES-KKUMJFAQSA-N 2 1 282.428 2.040 20 0 CEADMP Cc1ccc(N2CC[N@H+](C[C@H]3CC[NH2+]C3)[C@@H](C)C2)cc1C ZINC000844221951 640635589 /nfs/dbraw/zinc/63/55/89/640635589.db2.gz ZGCWQPGZBYUOMR-IRXDYDNUSA-N 2 1 287.451 2.423 20 0 CEADMP Cc1ccc(N2CC[N@@H+](C[C@H]3CC[NH2+]C3)[C@@H](C)C2)cc1C ZINC000844221951 640635591 /nfs/dbraw/zinc/63/55/91/640635591.db2.gz ZGCWQPGZBYUOMR-IRXDYDNUSA-N 2 1 287.451 2.423 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994080279 640694144 /nfs/dbraw/zinc/69/41/44/640694144.db2.gz MSCJOXYHBGGDKX-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[C@@H](O)CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000879203466 651259293 /nfs/dbraw/zinc/25/92/93/651259293.db2.gz OTIOWNVNLUELPC-HNNXBMFYSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ncco1 ZINC000925438013 640878982 /nfs/dbraw/zinc/87/89/82/640878982.db2.gz TZAPHFQJNCKUFE-MGPQQGTHSA-N 2 1 281.400 2.215 20 0 CEADMP C[N@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)CCC1(C)C ZINC000877207013 650627622 /nfs/dbraw/zinc/62/76/22/650627622.db2.gz WYRSOHNDAQKYMK-UHFFFAOYSA-N 2 1 295.471 2.228 20 0 CEADMP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000925475499 641103240 /nfs/dbraw/zinc/10/32/40/641103240.db2.gz UOVCFVQIFRUVMI-GOEBONIOSA-N 3 1 279.472 2.356 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCC[NH3+])C[C@H]1C ZINC000846220883 641228738 /nfs/dbraw/zinc/22/87/38/641228738.db2.gz XCBKUNIYHZWLBI-CABCVRRESA-N 3 1 255.450 2.310 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCC[NH3+])C[C@H]1C ZINC000846220883 641228744 /nfs/dbraw/zinc/22/87/44/641228744.db2.gz XCBKUNIYHZWLBI-CABCVRRESA-N 2 1 255.450 2.310 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCC[NH3+])C[C@H]1C ZINC000846220883 641228752 /nfs/dbraw/zinc/22/87/52/641228752.db2.gz XCBKUNIYHZWLBI-CABCVRRESA-N 2 1 255.450 2.310 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CCCCCC[NH3+])C[C@H]1C ZINC000846220883 641228760 /nfs/dbraw/zinc/22/87/60/641228760.db2.gz XCBKUNIYHZWLBI-CABCVRRESA-N 2 1 255.450 2.310 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CCCCCC[NH3+])C[C@H]1C ZINC000846220883 641228770 /nfs/dbraw/zinc/22/87/70/641228770.db2.gz XCBKUNIYHZWLBI-CABCVRRESA-N 2 1 255.450 2.310 20 0 CEADMP [NH3+]CCCCCCN1CC[NH+](CCc2cccs2)CC1 ZINC000846222711 641231037 /nfs/dbraw/zinc/23/10/37/641231037.db2.gz XUQDZPXSPNUYNL-UHFFFAOYSA-N 2 1 295.496 2.427 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000846221374 641231628 /nfs/dbraw/zinc/23/16/28/641231628.db2.gz XTPMWCAYCAYMSH-QGZVFWFLSA-N 2 1 276.424 2.449 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000846222199 641231726 /nfs/dbraw/zinc/23/17/26/641231726.db2.gz SWEHVKPWAVSJDM-ZDUSSCGKSA-N 2 1 250.390 2.108 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846225000 641232454 /nfs/dbraw/zinc/23/24/54/641232454.db2.gz IBVFTLNLKRVSST-GVDBMIGSSA-N 3 1 297.487 2.114 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846225001 641233362 /nfs/dbraw/zinc/23/33/62/641233362.db2.gz IBVFTLNLKRVSST-ULQDDVLXSA-N 3 1 297.487 2.114 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000877266632 650646884 /nfs/dbraw/zinc/64/68/84/650646884.db2.gz SZJPFJYAHKYTLQ-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CC)c1ccccc1 ZINC000846843473 641449953 /nfs/dbraw/zinc/44/99/53/641449953.db2.gz DKYVJPLRILOZLN-HOTGVXAUSA-N 2 1 264.413 2.214 20 0 CEADMP Cc1csc(C[NH2+]Cc2ccc(CC[NH3+])cc2)n1 ZINC000070542766 641676485 /nfs/dbraw/zinc/67/64/85/641676485.db2.gz RIUAORNKDZJTSX-UHFFFAOYSA-N 2 1 261.394 2.243 20 0 CEADMP CCC[NH+]1CCC(NCC[N@@H+](C)C2CCCC2)CC1 ZINC000071376610 641751392 /nfs/dbraw/zinc/75/13/92/641751392.db2.gz OCSVMBDUQPGZQR-UHFFFAOYSA-N 2 1 267.461 2.325 20 0 CEADMP CCC(C)(C)N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000848600538 642072970 /nfs/dbraw/zinc/07/29/70/642072970.db2.gz GETAGRZARXDJLV-UHFFFAOYSA-N 2 1 255.450 2.312 20 0 CEADMP C[C@H](CNC(=[NH2+])NC1CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000848993483 642213662 /nfs/dbraw/zinc/21/36/62/642213662.db2.gz YSPPIQKQXKOLKJ-CYBMUJFWSA-N 2 1 286.423 2.100 20 0 CEADMP C[C@H](CNC(=[NH2+])NC1CCC1)[N@H+]1CCc2ccccc2C1 ZINC000848993483 642213666 /nfs/dbraw/zinc/21/36/66/642213666.db2.gz YSPPIQKQXKOLKJ-CYBMUJFWSA-N 2 1 286.423 2.100 20 0 CEADMP CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997179698 642227012 /nfs/dbraw/zinc/22/70/12/642227012.db2.gz DNCLVIQXTQNLOO-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP O=c1[nH]c2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c2o1 ZINC000921550851 642230794 /nfs/dbraw/zinc/23/07/94/642230794.db2.gz VGXXBJBBQXDQNA-STQMWFEESA-N 2 1 287.363 2.250 20 0 CEADMP O=c1[nH]c2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2o1 ZINC000921550851 642230799 /nfs/dbraw/zinc/23/07/99/642230799.db2.gz VGXXBJBBQXDQNA-STQMWFEESA-N 2 1 287.363 2.250 20 0 CEADMP CS[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000921584957 642250448 /nfs/dbraw/zinc/25/04/48/642250448.db2.gz BGYRLANOEIDYPT-DZGCQCFKSA-N 2 1 286.485 2.097 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@H]1C1CC1 ZINC000849040864 642251453 /nfs/dbraw/zinc/25/14/53/642251453.db2.gz DVKVIBNFSBRBIB-XHSDSOJGSA-N 2 1 292.471 2.411 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000849040857 642251705 /nfs/dbraw/zinc/25/17/05/642251705.db2.gz DVKVIBNFSBRBIB-ARFHVFGLSA-N 2 1 292.471 2.411 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999351158 642482041 /nfs/dbraw/zinc/48/20/41/642482041.db2.gz DCTMJHIQWANKLH-CVEARBPZSA-N 2 1 295.471 2.238 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC(C)C)C1 ZINC000999877102 642519097 /nfs/dbraw/zinc/51/90/97/642519097.db2.gz ZBVNIWFEYCQGGU-UYSNPLJNSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2c3c(nn2C)CCC3)C1 ZINC000921688857 642528416 /nfs/dbraw/zinc/52/84/16/642528416.db2.gz IQUFZOXVXUPXRD-CQSZACIVSA-N 2 1 290.455 2.119 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c3c(nn2C)CCC3)C1 ZINC000921688857 642528423 /nfs/dbraw/zinc/52/84/23/642528423.db2.gz IQUFZOXVXUPXRD-CQSZACIVSA-N 2 1 290.455 2.119 20 0 CEADMP C[NH+](C)CC[C@H]([NH2+]Cc1cnn(CCF)c1)C(C)(C)C ZINC000921748944 642576822 /nfs/dbraw/zinc/57/68/22/642576822.db2.gz LIFGUMYTFBCUPP-AWEZNQCLSA-N 2 1 284.423 2.309 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCC3)[C@H](C)C1 ZINC000921795453 642627531 /nfs/dbraw/zinc/62/75/31/642627531.db2.gz XJFVKBYJCMTFCG-CJNGLKHVSA-N 2 1 274.408 2.441 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCC3)[C@H](C)C1 ZINC000921795453 642627537 /nfs/dbraw/zinc/62/75/37/642627537.db2.gz XJFVKBYJCMTFCG-CJNGLKHVSA-N 2 1 274.408 2.441 20 0 CEADMP FC(F)(F)[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000251333908 642676752 /nfs/dbraw/zinc/67/67/52/642676752.db2.gz PKEFWOHKLITUSZ-MNOVXSKESA-N 2 1 250.308 2.260 20 0 CEADMP CCOC(=O)NC1CCC([NH2+]CC[N@H+](C)[C@@H](C)CC)CC1 ZINC000850432208 642710629 /nfs/dbraw/zinc/71/06/29/642710629.db2.gz UJBPIPKDTKNBSE-NFOMZHRRSA-N 2 1 299.459 2.364 20 0 CEADMP CCOC(=O)NC1CCC([NH2+]CC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000850432208 642710632 /nfs/dbraw/zinc/71/06/32/642710632.db2.gz UJBPIPKDTKNBSE-NFOMZHRRSA-N 2 1 299.459 2.364 20 0 CEADMP C[NH+]1CCC([NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000922680873 643195982 /nfs/dbraw/zinc/19/59/82/643195982.db2.gz ZELFLXMEWCGKCS-NEPJUHHUSA-N 2 1 280.334 2.170 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@]12CCC[C@H]1OCC2 ZINC000922691858 643208486 /nfs/dbraw/zinc/20/84/86/643208486.db2.gz GXQPLWATLGRJOK-ZJIFWQFVSA-N 2 1 264.413 2.162 20 0 CEADMP CC[N@H+](CCC1CC[NH+](Cc2cnon2)CC1)CC1CC1 ZINC000851889511 643209989 /nfs/dbraw/zinc/20/99/89/643209989.db2.gz LZBOANRRRDDAIZ-UHFFFAOYSA-N 2 1 292.427 2.404 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](Cc2cnon2)CC1)CC1CC1 ZINC000851889511 643209995 /nfs/dbraw/zinc/20/99/95/643209995.db2.gz LZBOANRRRDDAIZ-UHFFFAOYSA-N 2 1 292.427 2.404 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CCC[C@H](SC)C1)C[NH+](C)C ZINC000922754437 643244443 /nfs/dbraw/zinc/24/44/43/643244443.db2.gz XEDCLQCXYHYGQW-MJBXVCDLSA-N 2 1 274.474 2.217 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@H](SC)C1)C[NH+](C)C ZINC000922754433 643244463 /nfs/dbraw/zinc/24/44/63/643244463.db2.gz XEDCLQCXYHYGQW-MCIONIFRSA-N 2 1 274.474 2.217 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H](SC)C1)C[NH+](C)C ZINC000922754435 643244783 /nfs/dbraw/zinc/24/47/83/643244783.db2.gz XEDCLQCXYHYGQW-MGPQQGTHSA-N 2 1 274.474 2.217 20 0 CEADMP CCO[C@@H](CNCc1cc2ccncc2s1)C[NH+](C)C ZINC000922756009 643246728 /nfs/dbraw/zinc/24/67/28/643246728.db2.gz KHMFVJVDTLIIPU-ZDUSSCGKSA-N 2 1 293.436 2.353 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC3(CCOCC3)O2)CC1(C)C ZINC000922813039 643273932 /nfs/dbraw/zinc/27/39/32/643273932.db2.gz UCSQKBXJQBEYIF-LSDHHAIUSA-N 2 1 296.455 2.177 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCC2(CCCC2)CC1 ZINC000852353806 643405744 /nfs/dbraw/zinc/40/57/44/643405744.db2.gz HDJDYEPPXQDZGZ-INIZCTEOSA-N 2 1 280.456 2.489 20 0 CEADMP CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005503934 643411432 /nfs/dbraw/zinc/41/14/32/643411432.db2.gz LVHNRPOXBIENLB-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP C[NH+](C)C[C@@H]1C[NH+](CC2(C)CCCC2)C[C@H]1C[NH+](C)C ZINC000877671169 650843308 /nfs/dbraw/zinc/84/33/08/650843308.db2.gz RIMMWJARHDSALG-HZPDHXFCSA-N 3 1 281.488 2.238 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000852711616 643520706 /nfs/dbraw/zinc/52/07/06/643520706.db2.gz HBWGRVNQGGUWGY-DLBZAZTESA-N 2 1 280.456 2.488 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000852711616 643520713 /nfs/dbraw/zinc/52/07/13/643520713.db2.gz HBWGRVNQGGUWGY-DLBZAZTESA-N 2 1 280.456 2.488 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H]2CC2(Cl)Cl)CCO1 ZINC000852760225 643540794 /nfs/dbraw/zinc/54/07/94/643540794.db2.gz CMLOOHQKYUUGGL-NEPJUHHUSA-N 2 1 295.254 2.223 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H]2CC2(Cl)Cl)CCO1 ZINC000852760225 643540800 /nfs/dbraw/zinc/54/08/00/643540800.db2.gz CMLOOHQKYUUGGL-NEPJUHHUSA-N 2 1 295.254 2.223 20 0 CEADMP CC1(C)C[C@@]1([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000852771108 643544921 /nfs/dbraw/zinc/54/49/21/643544921.db2.gz BMMAEDMELXEIJC-SJLPKXTDSA-N 2 1 288.435 2.358 20 0 CEADMP COCc1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)no1 ZINC000877684655 650849992 /nfs/dbraw/zinc/84/99/92/650849992.db2.gz RUTASCBYBKXCEG-UHFFFAOYSA-N 2 1 293.411 2.129 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H](O)CCc1ccccc1 ZINC000923279070 643636122 /nfs/dbraw/zinc/63/61/22/643636122.db2.gz CKNOVERGCDGLEF-UAGQMJEPSA-N 2 1 276.424 2.182 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H](O)CCc1ccccc1 ZINC000923279070 643636125 /nfs/dbraw/zinc/63/61/25/643636125.db2.gz CKNOVERGCDGLEF-UAGQMJEPSA-N 2 1 276.424 2.182 20 0 CEADMP O[C@@H](CC1CCCC1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923280303 643637202 /nfs/dbraw/zinc/63/72/02/643637202.db2.gz HFNCQXVAPFYEIX-INIZCTEOSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000923288920 643642036 /nfs/dbraw/zinc/64/20/36/643642036.db2.gz MNXQYBFMUBXXNA-WBIUFABUSA-N 2 1 284.350 2.057 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000923288920 643642038 /nfs/dbraw/zinc/64/20/38/643642038.db2.gz MNXQYBFMUBXXNA-WBIUFABUSA-N 2 1 284.350 2.057 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000923289846 643643483 /nfs/dbraw/zinc/64/34/83/643643483.db2.gz UABGALPRUKTKBB-CCKFTAQKSA-N 2 1 298.430 2.412 20 0 CEADMP c1csc([C@H]2CCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923299768 643645062 /nfs/dbraw/zinc/64/50/62/643645062.db2.gz ZDOGXGJRADCHSD-QWHCGFSZSA-N 2 1 278.421 2.264 20 0 CEADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303517 643650157 /nfs/dbraw/zinc/65/01/57/643650157.db2.gz FGILADZALGHIED-HUUCEWRRSA-N 2 1 274.408 2.366 20 0 CEADMP C[N@H+](CCC[NH2+]C1CC1)CCOc1ccc(F)cc1 ZINC000923302292 643650472 /nfs/dbraw/zinc/65/04/72/643650472.db2.gz UIURWZLRLYDOEO-UHFFFAOYSA-N 2 1 266.360 2.278 20 0 CEADMP C[N@@H+](CCC[NH2+]C1CC1)CCOc1ccc(F)cc1 ZINC000923302292 643650474 /nfs/dbraw/zinc/65/04/74/643650474.db2.gz UIURWZLRLYDOEO-UHFFFAOYSA-N 2 1 266.360 2.278 20 0 CEADMP Fc1ccc([C@H]2CCC[N@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923302319 643650885 /nfs/dbraw/zinc/65/08/85/643650885.db2.gz UYLUWHABTGIFDP-HZPDHXFCSA-N 2 1 290.382 2.341 20 0 CEADMP CC(C)C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCCC1 ZINC000923304037 643651644 /nfs/dbraw/zinc/65/16/44/643651644.db2.gz BPQHDNWOBABOQT-OAHLLOKOSA-N 2 1 266.429 2.266 20 0 CEADMP CCCCCC(=O)NC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923311115 643658872 /nfs/dbraw/zinc/65/88/72/643658872.db2.gz RCYPDHUANIDLJD-UHFFFAOYSA-N 2 1 295.471 2.289 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3cccc(F)c3)C[C@H]21 ZINC000923331281 643663248 /nfs/dbraw/zinc/66/32/48/643663248.db2.gz FQSQLGWXQBLZLO-FVQBIDKESA-N 2 1 262.372 2.427 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C ZINC000923324756 643663392 /nfs/dbraw/zinc/66/33/92/643663392.db2.gz KDPDMYYJYXSOOJ-MKXAEBJUSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC000923324756 643663396 /nfs/dbraw/zinc/66/33/96/643663396.db2.gz KDPDMYYJYXSOOJ-MKXAEBJUSA-N 3 1 279.472 2.322 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1C ZINC000923324756 643663400 /nfs/dbraw/zinc/66/34/00/643663400.db2.gz KDPDMYYJYXSOOJ-MKXAEBJUSA-N 3 1 279.472 2.322 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH+]1C ZINC000923324756 643663402 /nfs/dbraw/zinc/66/34/02/643663402.db2.gz KDPDMYYJYXSOOJ-MKXAEBJUSA-N 3 1 279.472 2.322 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH+]1C ZINC000923324756 643663405 /nfs/dbraw/zinc/66/34/05/643663405.db2.gz KDPDMYYJYXSOOJ-MKXAEBJUSA-N 3 1 279.472 2.322 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3cccc(F)c3)C[C@@H]21 ZINC000923331279 643663618 /nfs/dbraw/zinc/66/36/18/643663618.db2.gz FQSQLGWXQBLZLO-CWRNSKLLSA-N 2 1 262.372 2.427 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)c(F)c3)C[C@H]21 ZINC000923335048 643667135 /nfs/dbraw/zinc/66/71/35/643667135.db2.gz ZYZFUQOQGLUGIH-CZPYZCIJSA-N 2 1 296.361 2.057 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000923348439 643672769 /nfs/dbraw/zinc/67/27/69/643672769.db2.gz HBYKFAGUHFWMCQ-IAGOWNOFSA-N 2 1 276.424 2.041 20 0 CEADMP C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000923343364 643675390 /nfs/dbraw/zinc/67/53/90/643675390.db2.gz AIIOKCBTEMZCDS-BHYGNILZSA-N 2 1 276.424 2.039 20 0 CEADMP O[C@@H](CCc1ccccc1)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923356529 643677886 /nfs/dbraw/zinc/67/78/86/643677886.db2.gz SKMVMKFKQXNQOB-ZWKOTPCHSA-N 2 1 288.435 2.056 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923363492 643679420 /nfs/dbraw/zinc/67/94/20/643679420.db2.gz BVCNGDFVNYFDEM-PMPSAXMXSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923373579 643683845 /nfs/dbraw/zinc/68/38/45/643683845.db2.gz PSPLEOATWLZMDP-AVOUXACISA-N 2 1 295.471 2.142 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)C1CCCCC1 ZINC000923373877 643684434 /nfs/dbraw/zinc/68/44/34/643684434.db2.gz PSTPMGLAEWHBJZ-HUUCEWRRSA-N 2 1 290.407 2.324 20 0 CEADMP C[C@@H]1CC[N@@H+](CCc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000923375339 643685434 /nfs/dbraw/zinc/68/54/34/643685434.db2.gz JZYNFJZTFILXJX-OCCSQVGLSA-N 2 1 250.361 2.285 20 0 CEADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000923385216 643685457 /nfs/dbraw/zinc/68/54/57/643685457.db2.gz XNAOSHOUTWNVCA-LSDHHAIUSA-N 2 1 264.413 2.020 20 0 CEADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923372750 643689784 /nfs/dbraw/zinc/68/97/84/643689784.db2.gz JNLQUKBACXPGIM-ZFWWWQNUSA-N 2 1 266.429 2.266 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000923424598 643704292 /nfs/dbraw/zinc/70/42/92/643704292.db2.gz GUPFGOOBPIIPBL-FRRDWIJNSA-N 2 1 296.377 2.387 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000923482554 643731769 /nfs/dbraw/zinc/73/17/69/643731769.db2.gz QRRUTZIQQFYNGX-OAHLLOKOSA-N 2 1 262.397 2.299 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923489566 643734892 /nfs/dbraw/zinc/73/48/92/643734892.db2.gz YVCFMFPYJRMAJB-CABCVRRESA-N 2 1 289.423 2.301 20 0 CEADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923492103 643736210 /nfs/dbraw/zinc/73/62/10/643736210.db2.gz NKPLOYPVQKRXMG-RYUDHWBXSA-N 2 1 295.814 2.338 20 0 CEADMP CCc1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cs1 ZINC000923500222 643741153 /nfs/dbraw/zinc/74/11/53/643741153.db2.gz VOXADLCVMHLVSH-MNOVXSKESA-N 2 1 253.415 2.122 20 0 CEADMP Cc1cn[nH]c1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923507720 643744068 /nfs/dbraw/zinc/74/40/68/643744068.db2.gz QXYVHVCTYJXHJV-AWEZNQCLSA-N 2 1 276.428 2.320 20 0 CEADMP Fc1ccc2c(c1)[C@H]([N@H+]1C[C@@H]3CC[NH2+]C[C@@H]3C1)CC2 ZINC000923517561 643748233 /nfs/dbraw/zinc/74/82/33/643748233.db2.gz FAVZUXBUWBDINE-WOSRLPQWSA-N 2 1 260.356 2.354 20 0 CEADMP Cc1csc(C[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000923551077 643760879 /nfs/dbraw/zinc/76/08/79/643760879.db2.gz JGDMXMVWVUYTGQ-UONOGXRCSA-N 2 1 279.453 2.316 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000923549873 643761276 /nfs/dbraw/zinc/76/12/76/643761276.db2.gz QRQXACGGOWMEFF-CWRNSKLLSA-N 2 1 266.429 2.252 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@@H]1CO[NH+]=C(N)C1CCOCC1 ZINC000853667897 643855444 /nfs/dbraw/zinc/85/54/44/643855444.db2.gz QGJDEWXGDTWIMX-CQSZACIVSA-N 2 1 283.416 2.174 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CO[NH+]=C(N)C1CCOCC1 ZINC000853667897 643855446 /nfs/dbraw/zinc/85/54/46/643855446.db2.gz QGJDEWXGDTWIMX-CQSZACIVSA-N 2 1 283.416 2.174 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000854228790 644017681 /nfs/dbraw/zinc/01/76/81/644017681.db2.gz CLTLJYWZAMEJBO-QKPAOTATSA-N 2 1 260.381 2.414 20 0 CEADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccn1 ZINC000838920398 644069483 /nfs/dbraw/zinc/06/94/83/644069483.db2.gz OUBBXEFIOISWGK-OAHLLOKOSA-N 2 1 258.369 2.345 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000838973362 644104037 /nfs/dbraw/zinc/10/40/37/644104037.db2.gz YXEVPIBFHRTGRE-OLZOCXBDSA-N 2 1 270.417 2.038 20 0 CEADMP C[C@H](C[C@@H](O)c1ccco1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000838984337 644109742 /nfs/dbraw/zinc/10/97/42/644109742.db2.gz IBLKDUCNKLTTLI-IUODEOHRSA-N 2 1 278.396 2.308 20 0 CEADMP C[C@H](C[C@H]1CCOC1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839180988 644181355 /nfs/dbraw/zinc/18/13/55/644181355.db2.gz FVMMRASXOVZRKB-RBSFLKMASA-N 2 1 254.418 2.123 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000839183056 644182571 /nfs/dbraw/zinc/18/25/71/644182571.db2.gz SMDWGSGUTPZLAZ-MRXNPFEDSA-N 2 1 296.455 2.241 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(F)=C1CCCC1 ZINC000855345634 644311579 /nfs/dbraw/zinc/31/15/79/644311579.db2.gz DBZWJSDNPAARRE-ZDUSSCGKSA-N 2 1 299.434 2.172 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(F)=C1CCCC1 ZINC000855345634 644311586 /nfs/dbraw/zinc/31/15/86/644311586.db2.gz DBZWJSDNPAARRE-ZDUSSCGKSA-N 2 1 299.434 2.172 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)/C=C1/CC[C@H](C)C1 ZINC000855345433 644311983 /nfs/dbraw/zinc/31/19/83/644311983.db2.gz AHVDQLPRWWNRHG-HTVWXKGZSA-N 2 1 295.471 2.121 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)/C=C1/CC[C@H](C)C1 ZINC000855345433 644311989 /nfs/dbraw/zinc/31/19/89/644311989.db2.gz AHVDQLPRWWNRHG-HTVWXKGZSA-N 2 1 295.471 2.121 20 0 CEADMP C[C@H](O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000754787351 644430016 /nfs/dbraw/zinc/43/00/16/644430016.db2.gz VRDYNVFORXBWCD-JQFCIGGWSA-N 2 1 274.408 2.456 20 0 CEADMP CCCCC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000877955778 650957568 /nfs/dbraw/zinc/95/75/68/650957568.db2.gz DAURHTNHYKJRRS-UHFFFAOYSA-N 2 1 283.460 2.097 20 0 CEADMP c1ccc([C@@H]2CC[C@H](C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)O2)cc1 ZINC000877982053 650966390 /nfs/dbraw/zinc/96/63/90/650966390.db2.gz GKXYXFIJPORQDL-TWMKSMIVSA-N 2 1 272.392 2.058 20 0 CEADMP C[C@@H](Nc1nc(N2CCCC2)cc[nH+]1)C(C)(C)C[NH+](C)C ZINC000759239392 645001777 /nfs/dbraw/zinc/00/17/77/645001777.db2.gz WTHFOAJPPXPGEZ-CYBMUJFWSA-N 2 1 291.443 2.465 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1CC[NH+](C)CC1 ZINC000760837407 645199352 /nfs/dbraw/zinc/19/93/52/645199352.db2.gz YQNMRTKYYZSCOS-MRXNPFEDSA-N 3 1 267.461 2.134 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1CC[NH+](C)CC1 ZINC000760837403 645199315 /nfs/dbraw/zinc/19/93/15/645199315.db2.gz YQNMRTKYYZSCOS-INIZCTEOSA-N 3 1 267.461 2.134 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1CC[NH+](C)CC1 ZINC000760837403 645199332 /nfs/dbraw/zinc/19/93/32/645199332.db2.gz YQNMRTKYYZSCOS-INIZCTEOSA-N 3 1 267.461 2.134 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1CC[NH+](C)CC1 ZINC000760837403 645199336 /nfs/dbraw/zinc/19/93/36/645199336.db2.gz YQNMRTKYYZSCOS-INIZCTEOSA-N 3 1 267.461 2.134 20 0 CEADMP CN1CCCC[C@H]1CC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000760837403 645199342 /nfs/dbraw/zinc/19/93/42/645199342.db2.gz YQNMRTKYYZSCOS-INIZCTEOSA-N 2 1 267.461 2.134 20 0 CEADMP CN1CCCC[C@H]1CC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000760837403 645199343 /nfs/dbraw/zinc/19/93/43/645199343.db2.gz YQNMRTKYYZSCOS-INIZCTEOSA-N 2 1 267.461 2.134 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1CC[NH+](C)CC1 ZINC000760837407 645199351 /nfs/dbraw/zinc/19/93/51/645199351.db2.gz YQNMRTKYYZSCOS-MRXNPFEDSA-N 3 1 267.461 2.134 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1CC[NH+](C)CC1 ZINC000760837407 645199354 /nfs/dbraw/zinc/19/93/54/645199354.db2.gz YQNMRTKYYZSCOS-MRXNPFEDSA-N 3 1 267.461 2.134 20 0 CEADMP CN1CCCC[C@@H]1CC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000760837407 645199355 /nfs/dbraw/zinc/19/93/55/645199355.db2.gz YQNMRTKYYZSCOS-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP CN1CCCC[C@@H]1CC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000760837407 645199357 /nfs/dbraw/zinc/19/93/57/645199357.db2.gz YQNMRTKYYZSCOS-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP COC(CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)OC ZINC000859213052 645421839 /nfs/dbraw/zinc/42/18/39/645421839.db2.gz QQPDLCYKMFCALY-UHFFFAOYSA-N 2 1 280.412 2.189 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)cc1 ZINC000859213799 645422067 /nfs/dbraw/zinc/42/20/67/645422067.db2.gz JNJPVNRDCNOUKU-IAGOWNOFSA-N 2 1 276.424 2.484 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCOC(F)F)cc1 ZINC000859213854 645422198 /nfs/dbraw/zinc/42/21/98/645422198.db2.gz RMWAQNKKJDQIHM-UHFFFAOYSA-N 2 1 272.339 2.419 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878147618 651013638 /nfs/dbraw/zinc/01/36/38/651013638.db2.gz HHEKKJZTOUHEGC-KFWWJZLASA-N 2 1 254.418 2.075 20 0 CEADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C1CCC(C)(C)CC1 ZINC000878184392 651027939 /nfs/dbraw/zinc/02/79/39/651027939.db2.gz UTCJWUHJCWKNLO-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](SC)C2)CC1 ZINC000766059257 645841507 /nfs/dbraw/zinc/84/15/07/645841507.db2.gz FCMZXMDISOGGQN-CABCVRRESA-N 2 1 286.485 2.361 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000768163053 646092120 /nfs/dbraw/zinc/09/21/20/646092120.db2.gz RZACVLASLKDIJQ-XHSDSOJGSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000768163053 646092123 /nfs/dbraw/zinc/09/21/23/646092123.db2.gz RZACVLASLKDIJQ-XHSDSOJGSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccnc1F ZINC000862254444 646383717 /nfs/dbraw/zinc/38/37/17/646383717.db2.gz ZPMVIPJVZFVNAE-CABCVRRESA-N 2 1 277.387 2.445 20 0 CEADMP Cc1ncc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000773084394 646704992 /nfs/dbraw/zinc/70/49/92/646704992.db2.gz YWMHMWWKHFVTNO-ZYHUDNBSSA-N 2 1 253.415 2.066 20 0 CEADMP c1ccc([C@@H]2C[C@H]3C[N@H+](C[C@@H]4CC[NH2+]C4)C[C@H]32)cc1 ZINC000863557873 646755990 /nfs/dbraw/zinc/75/59/90/646755990.db2.gz RKXKOUVGVDKFDW-BSWAZPDLSA-N 2 1 256.393 2.331 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCC[C@@H]1C ZINC000774124790 646806692 /nfs/dbraw/zinc/80/66/92/646806692.db2.gz XSFUTMSNJYPQPI-BFZKSOEOSA-N 2 1 279.472 2.464 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+]1CCCC[C@@H]1C ZINC000774124790 646806700 /nfs/dbraw/zinc/80/67/00/646806700.db2.gz XSFUTMSNJYPQPI-BFZKSOEOSA-N 2 1 279.472 2.464 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+]1CCCC[C@@H]1C ZINC000774124790 646806704 /nfs/dbraw/zinc/80/67/04/646806704.db2.gz XSFUTMSNJYPQPI-BFZKSOEOSA-N 2 1 279.472 2.464 20 0 CEADMP C[C@H]([NH2+][C@H](CO)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775523286 646962670 /nfs/dbraw/zinc/96/26/70/646962670.db2.gz HKWROLYMQLCJLJ-JCGIZDLHSA-N 2 1 288.435 2.258 20 0 CEADMP CCCCC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000776023884 647016886 /nfs/dbraw/zinc/01/68/86/647016886.db2.gz RGBFUCRBMDMGGH-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000864465180 647019330 /nfs/dbraw/zinc/01/93/30/647019330.db2.gz QWSUTLDDQLISIC-FVQBIDKESA-N 2 1 286.423 2.031 20 0 CEADMP CCC(CC)NC(=[NH2+])NCC[N@H+]1CCCC1(C)C ZINC000864467296 647021571 /nfs/dbraw/zinc/02/15/71/647021571.db2.gz VDSZQCFNPSDAMX-UHFFFAOYSA-N 2 1 254.422 2.163 20 0 CEADMP [NH3+]CCCCn1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000864622632 647068264 /nfs/dbraw/zinc/06/82/64/647068264.db2.gz CDFCPFNSKUYDCH-QGZVFWFLSA-N 2 1 299.422 2.184 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865443806 647296511 /nfs/dbraw/zinc/29/65/11/647296511.db2.gz NHXPRCJRZHBDPA-IUDNXUCKSA-N 2 1 283.460 2.001 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865443806 647296513 /nfs/dbraw/zinc/29/65/13/647296513.db2.gz NHXPRCJRZHBDPA-IUDNXUCKSA-N 2 1 283.460 2.001 20 0 CEADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865527768 647341614 /nfs/dbraw/zinc/34/16/14/647341614.db2.gz KVWLQWFNLHSKKM-JTQLQIEISA-N 2 1 273.302 2.276 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000780766081 647468010 /nfs/dbraw/zinc/46/80/10/647468010.db2.gz DBHMJKXMXSOMQD-UHFFFAOYSA-N 2 1 297.487 2.347 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866243213 647690534 /nfs/dbraw/zinc/69/05/34/647690534.db2.gz WNXZRVVLKYEXHJ-IRXDYDNUSA-N 2 1 296.455 2.035 20 0 CEADMP CN1Cc2ccccc2[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000866561879 647825397 /nfs/dbraw/zinc/82/53/97/647825397.db2.gz AMGUUBYEHOXYOC-SFHVURJKSA-N 2 1 285.435 2.390 20 0 CEADMP CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1CCOCC[NH3+] ZINC000866702637 647874935 /nfs/dbraw/zinc/87/49/35/647874935.db2.gz DNCQPKURRSOUNG-CQSZACIVSA-N 2 1 280.387 2.369 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709037 647878561 /nfs/dbraw/zinc/87/85/61/647878561.db2.gz VBOLOMAXSWDLCH-OAHLLOKOSA-N 2 1 270.417 2.025 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCc4ccccc43)C[C@@H]2C1 ZINC000785916982 647968733 /nfs/dbraw/zinc/96/87/33/647968733.db2.gz JPCHCYHFHFGJBH-HRCADAONSA-N 2 1 256.393 2.210 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCc4ccccc43)C[C@@H]2C1 ZINC000785916982 647968736 /nfs/dbraw/zinc/96/87/36/647968736.db2.gz JPCHCYHFHFGJBH-HRCADAONSA-N 2 1 256.393 2.210 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCc4ccccc43)C[C@@H]2C1 ZINC000785916982 647968737 /nfs/dbraw/zinc/96/87/37/647968737.db2.gz JPCHCYHFHFGJBH-HRCADAONSA-N 2 1 256.393 2.210 20 0 CEADMP CCOC(CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)OCC ZINC000786970694 648062045 /nfs/dbraw/zinc/06/20/45/648062045.db2.gz MRRCYQSVAKGMKZ-ZIAGYGMSSA-N 2 1 272.433 2.096 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+](CCC(C)=O)CC1 ZINC000122195911 648153098 /nfs/dbraw/zinc/15/30/98/648153098.db2.gz ROZNGHZNWBHPEF-UHFFFAOYSA-N 2 1 284.444 2.036 20 0 CEADMP CC(C)[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCS1 ZINC000788480570 648192808 /nfs/dbraw/zinc/19/28/08/648192808.db2.gz AFPPQPSELAJACM-CQSZACIVSA-N 2 1 256.459 2.402 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CCC[NH+]2CCCCC2)n(C)n1 ZINC000793514334 648767612 /nfs/dbraw/zinc/76/76/12/648767612.db2.gz FWAGAXFZYKHGSI-AWEZNQCLSA-N 2 1 264.417 2.255 20 0 CEADMP CC[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)CC1)[NH+](CC)CC ZINC000871153977 649015618 /nfs/dbraw/zinc/01/56/18/649015618.db2.gz PNXXWJSEYMFQDX-CQSZACIVSA-N 2 1 283.460 2.050 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872106119 649278911 /nfs/dbraw/zinc/27/89/11/649278911.db2.gz DYPZKIFOSCTQKF-KCXAZCMYSA-N 2 1 264.413 2.160 20 0 CEADMP c1ccc2c(c1)CC[C@]21CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000872146335 649296184 /nfs/dbraw/zinc/29/61/84/649296184.db2.gz LMFCIMTVEUGHPB-SJLPKXTDSA-N 2 1 298.430 2.097 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(C(C)=O)CC2)cc1 ZINC000872146306 649296668 /nfs/dbraw/zinc/29/66/68/649296668.db2.gz KUMFPUUSRQFPSG-MRXNPFEDSA-N 2 1 290.407 2.039 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccncc2)C[C@H]1C(F)(F)F ZINC000872150640 649297276 /nfs/dbraw/zinc/29/72/76/649297276.db2.gz YIWWQKBOGARMOL-CHWSQXEVSA-N 2 1 287.329 2.083 20 0 CEADMP COc1cc2c(cc1OC)[C@H](C)[N@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000872154757 649298518 /nfs/dbraw/zinc/29/85/18/649298518.db2.gz ADTBYRTZVIIUBT-QWHCGFSZSA-N 2 1 290.407 2.232 20 0 CEADMP COc1cc2c(cc1OC)[C@H](C)[N@@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000872154757 649298520 /nfs/dbraw/zinc/29/85/20/649298520.db2.gz ADTBYRTZVIIUBT-QWHCGFSZSA-N 2 1 290.407 2.232 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@H]1CC2(CCC2)CO1 ZINC000872156081 649299911 /nfs/dbraw/zinc/29/99/11/649299911.db2.gz DNMDAPGZWXTKJT-CQSZACIVSA-N 2 1 254.418 2.397 20 0 CEADMP COCCOCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158913 649300134 /nfs/dbraw/zinc/30/01/34/649300134.db2.gz ZGSDQIWJKCOXFH-DOTOQJQBSA-N 2 1 298.471 2.269 20 0 CEADMP CCCNC(=O)C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158163 649300471 /nfs/dbraw/zinc/30/04/71/649300471.db2.gz YOQBNGXIUOMFCA-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H](O)c1ncc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000872253841 649329703 /nfs/dbraw/zinc/32/97/03/649329703.db2.gz KUDCPTDSVGLHKE-GHMZBOCLSA-N 2 1 283.441 2.064 20 0 CEADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CN1C[C@H](C)CC1=O ZINC000872744151 649474225 /nfs/dbraw/zinc/47/42/25/649474225.db2.gz PRKILQZLZGTQBH-OAHLLOKOSA-N 2 1 295.471 2.112 20 0 CEADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208983 649589580 /nfs/dbraw/zinc/58/95/80/649589580.db2.gz GRBKCIDVPLAUQV-JMSVASOKSA-N 2 1 294.464 2.375 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3[C@@H]4OC[C@@H]5C[C@H]3C[C@@H]54)CC[NH2+]2)cc1 ZINC000873215966 649593138 /nfs/dbraw/zinc/59/31/38/649593138.db2.gz HOJUZCRXWWYPOD-LWWDEJTHSA-N 2 1 298.430 2.493 20 0 CEADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CC(C)(C)N ZINC000873223800 649597947 /nfs/dbraw/zinc/59/79/47/649597947.db2.gz SVKKSOYRKQQXOQ-UHFFFAOYSA-N 2 1 255.450 2.024 20 0 CEADMP COC(=O)c1coc(C[N@@H+](C)CCCCCC[NH3+])c1 ZINC000873231272 649602816 /nfs/dbraw/zinc/60/28/16/649602816.db2.gz CBAHNNYSHSDBQE-UHFFFAOYSA-N 2 1 268.357 2.017 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1noc2cc(F)ccc12 ZINC000873276771 649622014 /nfs/dbraw/zinc/62/20/14/649622014.db2.gz WVUQNEMNWLNPSF-GXFFZTMASA-N 2 1 277.343 2.445 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)[C@H]1CCCC[NH2+]1 ZINC000873281668 649624228 /nfs/dbraw/zinc/62/42/28/649624228.db2.gz OIXKICCCDWHROZ-XPABHHOTSA-N 2 1 252.402 2.064 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2Cc3ccccc3C[NH2+]2)[C@H](C)C1 ZINC000873292648 649629932 /nfs/dbraw/zinc/62/99/32/649629932.db2.gz CRNFKKYLEPGSQX-OLMNPRSZSA-N 2 1 287.451 2.021 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000878511309 651117106 /nfs/dbraw/zinc/11/71/06/651117106.db2.gz IOTZHIYGWRXERA-LVQVYYBASA-N 2 1 266.429 2.360 20 0 CEADMP Cc1ccccc1[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878864413 651200180 /nfs/dbraw/zinc/20/01/80/651200180.db2.gz AOHQKMXHSVVLCM-QGZVFWFLSA-N 2 1 288.435 2.446 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000878864575 651200485 /nfs/dbraw/zinc/20/04/85/651200485.db2.gz HDICCXIFMIGNQV-MRXNPFEDSA-N 2 1 292.398 2.277 20 0 CEADMP COCC[N@@H+](CCC1CCC1)CC1CC[NH+](C)CC1 ZINC000879125537 651247482 /nfs/dbraw/zinc/24/74/82/651247482.db2.gz DJKPDLZJHDAWPZ-UHFFFAOYSA-N 2 1 268.445 2.467 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCOc3cccc(F)c3)CC[C@H]21 ZINC000879573525 651324594 /nfs/dbraw/zinc/32/45/94/651324594.db2.gz YIBKHKRSAVLGTK-XJKSGUPXSA-N 2 1 278.371 2.231 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCOc3cccc(F)c3)CC[C@H]21 ZINC000879573525 651324595 /nfs/dbraw/zinc/32/45/95/651324595.db2.gz YIBKHKRSAVLGTK-XJKSGUPXSA-N 2 1 278.371 2.231 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCOc3cccc(F)c3)CC[C@H]21 ZINC000879573525 651324599 /nfs/dbraw/zinc/32/45/99/651324599.db2.gz YIBKHKRSAVLGTK-XJKSGUPXSA-N 2 1 278.371 2.231 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCOc3cccc(F)c3)CC[C@H]21 ZINC000879573525 651324601 /nfs/dbraw/zinc/32/46/01/651324601.db2.gz YIBKHKRSAVLGTK-XJKSGUPXSA-N 2 1 278.371 2.231 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(C)(C)O)CC1 ZINC000879627861 651332729 /nfs/dbraw/zinc/33/27/29/651332729.db2.gz VPPYQKURCAXGOJ-UHFFFAOYSA-N 2 1 279.428 2.455 20 0 CEADMP COCCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702747 651341518 /nfs/dbraw/zinc/34/15/18/651341518.db2.gz XINUPQMSCSHLDZ-UHFFFAOYSA-N 2 1 256.434 2.323 20 0 CEADMP CCc1nnc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)o1 ZINC000879702460 651341618 /nfs/dbraw/zinc/34/16/18/651341618.db2.gz LVOAPCRENPVDNH-UHFFFAOYSA-N 2 1 294.443 2.432 20 0 CEADMP CCC(=O)CCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259780 651412335 /nfs/dbraw/zinc/41/23/35/651412335.db2.gz IRJIEXBTZXKJQY-CQSZACIVSA-N 2 1 275.396 2.351 20 0 CEADMP CCC(=O)CCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259780 651412336 /nfs/dbraw/zinc/41/23/36/651412336.db2.gz IRJIEXBTZXKJQY-CQSZACIVSA-N 2 1 275.396 2.351 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCO2)CCN1c1cc[nH+]cc1 ZINC000880261869 651412773 /nfs/dbraw/zinc/41/27/73/651412773.db2.gz ZCYDQEJIQKRCNQ-GDBMZVCRSA-N 2 1 275.396 2.161 20 0 CEADMP CC1([NH+]2CCC2)CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000880475574 651447489 /nfs/dbraw/zinc/44/74/89/651447489.db2.gz WUXGKLMADVBFMU-UHFFFAOYSA-N 2 1 264.413 2.306 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC1OCCCO1 ZINC000880517543 651454094 /nfs/dbraw/zinc/45/40/94/651454094.db2.gz RWIXEMXZUWLJPT-UHFFFAOYSA-N 2 1 284.444 2.337 20 0 CEADMP CC[N@H+]1CC[C@@H]1CNc1cc[nH+]c2c(O)cccc12 ZINC000882959592 652289660 /nfs/dbraw/zinc/28/96/60/652289660.db2.gz KLLLJBUNVARVGM-LLVKDONJSA-N 2 1 257.337 2.447 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)CO2)CC[N@H+]1C ZINC000883262800 652417928 /nfs/dbraw/zinc/41/79/28/652417928.db2.gz UVTDFWMMUSOEOL-OAGGEKHMSA-N 2 1 296.455 2.035 20 0 CEADMP Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC[NH2+]CC2)cn1 ZINC000883412872 652461195 /nfs/dbraw/zinc/46/11/95/652461195.db2.gz RMYPBGQEKMBTNN-ZXFUBFMLSA-N 2 1 288.439 2.130 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000883417443 652461935 /nfs/dbraw/zinc/46/19/35/652461935.db2.gz ADRDWSNCFKSGEW-ARFHVFGLSA-N 2 1 296.455 2.021 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883416785 652461944 /nfs/dbraw/zinc/46/19/44/652461944.db2.gz DWIKWGVCTQGOQV-XIRDDKMYSA-N 2 1 274.408 2.448 20 0 CEADMP C([C@@H]1CCC2(CCC2)O1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000883416346 652462027 /nfs/dbraw/zinc/46/20/27/652462027.db2.gz SKTWZOADUXRUDM-HNNXBMFYSA-N 2 1 264.413 2.305 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000883416453 652462080 /nfs/dbraw/zinc/46/20/80/652462080.db2.gz VJAVYZFBJDCUGL-LLVKDONJSA-N 2 1 284.306 2.179 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000883416453 652462083 /nfs/dbraw/zinc/46/20/83/652462083.db2.gz VJAVYZFBJDCUGL-LLVKDONJSA-N 2 1 284.306 2.179 20 0 CEADMP CCO[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1C[NH3+] ZINC000883434914 652469087 /nfs/dbraw/zinc/46/90/87/652469087.db2.gz DQXSAGRFCCNJAG-FRRDWIJNSA-N 2 1 276.371 2.108 20 0 CEADMP Cc1nonc1C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000883441779 652471525 /nfs/dbraw/zinc/47/15/25/652471525.db2.gz XEISUNPHURDDLN-HIFRSBDPSA-N 2 1 292.427 2.498 20 0 CEADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000884200901 652749529 /nfs/dbraw/zinc/74/95/29/652749529.db2.gz LUFAHOLSDRIFBJ-QLFBSQMISA-N 2 1 297.487 2.233 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000925482757 652785427 /nfs/dbraw/zinc/78/54/27/652785427.db2.gz UVTVJFUSSCBLIW-AWEZNQCLSA-N 2 1 272.396 2.226 20 0 CEADMP C[C@@H]1CN(c2cc(N3CCCC3)cc[nH+]2)[C@@H](C)C[N@H+]1C ZINC001164637090 719218611 /nfs/dbraw/zinc/21/86/11/719218611.db2.gz KUCUVUZQTJGGCP-KGLIPLIRSA-N 2 1 274.412 2.211 20 0 CEADMP CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001226554732 805652207 /nfs/dbraw/zinc/65/22/07/805652207.db2.gz PDTZFKORRXJEQI-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP COC[C@H]1CCCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000696645126 805749833 /nfs/dbraw/zinc/74/98/33/805749833.db2.gz IBJCDPBZTCECLI-CABCVRRESA-N 2 1 254.418 2.125 20 0 CEADMP C[C@H]1CC(n2cnc(C[NH3+])n2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168022519 805789684 /nfs/dbraw/zinc/78/96/84/805789684.db2.gz SWRPQLHGJCDJQU-KBPBESRZSA-N 2 1 299.422 2.351 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087796734 805797656 /nfs/dbraw/zinc/79/76/56/805797656.db2.gz LKFAXFFKALDVDJ-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087796734 805797660 /nfs/dbraw/zinc/79/76/60/805797660.db2.gz LKFAXFFKALDVDJ-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087796734 805797667 /nfs/dbraw/zinc/79/76/67/805797667.db2.gz LKFAXFFKALDVDJ-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)=CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168029941 805821767 /nfs/dbraw/zinc/82/17/67/805821767.db2.gz KSHOUMFQCOFEQR-HOTGVXAUSA-N 2 1 293.455 2.065 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC=C(C)C)C1 ZINC001271539399 805987919 /nfs/dbraw/zinc/98/79/19/805987919.db2.gz ISDLJVMVAOPTJR-CVEARBPZSA-N 2 1 295.471 2.121 20 0 CEADMP CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001088312253 806108714 /nfs/dbraw/zinc/10/87/14/806108714.db2.gz SDUSWUPFUWZKHH-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001168235349 806426775 /nfs/dbraw/zinc/42/67/75/806426775.db2.gz IGCGSXJHZRMVHB-WCXIOVBPSA-N 2 1 286.419 2.377 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C2 ZINC001168246127 806439057 /nfs/dbraw/zinc/43/90/57/806439057.db2.gz FSCIUYKHZIQOQS-HOTGVXAUSA-N 2 1 274.408 2.236 20 0 CEADMP C[NH+](C)C1CCC([NH2+]C2CCN(C3CCC3)CC2)CC1 ZINC001168298753 806635331 /nfs/dbraw/zinc/63/53/31/806635331.db2.gz BKBIMRNSGHTIQI-UHFFFAOYSA-N 2 1 279.472 2.466 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001088792555 806723166 /nfs/dbraw/zinc/72/31/66/806723166.db2.gz UMHGWJLMUXUSPN-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H](COCC3CC3)C2)C1 ZINC001208614995 802391451 /nfs/dbraw/zinc/39/14/51/802391451.db2.gz GSECQBWVONEOPX-HOTGVXAUSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H](COCC3CC3)C2)C1 ZINC001208614995 802391460 /nfs/dbraw/zinc/39/14/60/802391460.db2.gz GSECQBWVONEOPX-HOTGVXAUSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H](COCC3CC3)C2)C1 ZINC001208614995 802391469 /nfs/dbraw/zinc/39/14/69/802391469.db2.gz GSECQBWVONEOPX-HOTGVXAUSA-N 2 1 266.429 2.077 20 0 CEADMP CCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001266322676 802437684 /nfs/dbraw/zinc/43/76/84/802437684.db2.gz LYHJBZOMUKXRFS-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001266322676 802437686 /nfs/dbraw/zinc/43/76/86/802437686.db2.gz LYHJBZOMUKXRFS-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001266322676 802437688 /nfs/dbraw/zinc/43/76/88/802437688.db2.gz LYHJBZOMUKXRFS-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC1(CC)CCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000721406872 802531122 /nfs/dbraw/zinc/53/11/22/802531122.db2.gz YVGMRLHNXIEQBD-AWEZNQCLSA-N 2 1 256.434 2.342 20 0 CEADMP CCC1(CC)CCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000721406872 802531126 /nfs/dbraw/zinc/53/11/26/802531126.db2.gz YVGMRLHNXIEQBD-AWEZNQCLSA-N 2 1 256.434 2.342 20 0 CEADMP CCC1(CC)CCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000721406872 802531130 /nfs/dbraw/zinc/53/11/30/802531130.db2.gz YVGMRLHNXIEQBD-AWEZNQCLSA-N 2 1 256.434 2.342 20 0 CEADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc[nH]c2=O)CC1 ZINC001207011849 802685108 /nfs/dbraw/zinc/68/51/08/802685108.db2.gz RHUHIJXHQARPAE-UHFFFAOYSA-N 2 1 277.412 2.484 20 0 CEADMP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001266535068 802687655 /nfs/dbraw/zinc/68/76/55/802687655.db2.gz RKCWSGYRAPRERK-XETQRACLSA-N 2 1 293.455 2.018 20 0 CEADMP Cc1ccccc1-c1ccccc1C[N@@H+]1CCNC[C@@H](O)C1 ZINC001210473240 802689649 /nfs/dbraw/zinc/68/96/49/802689649.db2.gz CAMYBRKNXRXVNO-QGZVFWFLSA-N 2 1 296.414 2.428 20 0 CEADMP Cc1ccccc1-c1ccccc1C[N@H+]1CCNC[C@@H](O)C1 ZINC001210473240 802689654 /nfs/dbraw/zinc/68/96/54/802689654.db2.gz CAMYBRKNXRXVNO-QGZVFWFLSA-N 2 1 296.414 2.428 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[C@H](C(F)(F)F)O3)C[C@@H]21 ZINC000721447508 802793190 /nfs/dbraw/zinc/79/31/90/802793190.db2.gz IHCDESZBDDGMTR-KSSYENDESA-N 2 1 292.345 2.156 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC[N@H+]1C ZINC000721449183 802795644 /nfs/dbraw/zinc/79/56/44/802795644.db2.gz ZZNMHJGGEJSKJQ-WYUUTHIRSA-N 2 1 280.334 2.169 20 0 CEADMP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266690592 802844144 /nfs/dbraw/zinc/84/41/44/802844144.db2.gz MBJNCBJFEHOIHZ-GASCZTMLSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(C3CC3)c[nH+]2)O1 ZINC001170281473 812380940 /nfs/dbraw/zinc/38/09/40/812380940.db2.gz FMXGFUCWIAGRSH-IIAWOOMASA-N 2 1 291.395 2.096 20 0 CEADMP Cc1ccc(OCC[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000723893077 802965442 /nfs/dbraw/zinc/96/54/42/802965442.db2.gz WUKLOOGCZLTKBY-HUUCEWRRSA-N 2 1 262.397 2.291 20 0 CEADMP Cc1ccc2cc[nH+]c(N3CC[C@](F)(C[NH3+])C3)c2c1 ZINC001157812362 812474230 /nfs/dbraw/zinc/47/42/30/812474230.db2.gz AMEBDFONRWKEAD-HNNXBMFYSA-N 2 1 259.328 2.420 20 0 CEADMP CC(C)=CC[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001266976093 803033049 /nfs/dbraw/zinc/03/30/49/803033049.db2.gz SOKXTHYFPLCJRO-AWEZNQCLSA-N 2 1 292.427 2.067 20 0 CEADMP c1cc(N2CCCCC2)nc(NCC[C@H]2CCC[NH2+]2)[nH+]1 ZINC001158627077 812853717 /nfs/dbraw/zinc/85/37/17/812853717.db2.gz DFFUNTLFOHWAGK-CYBMUJFWSA-N 2 1 275.400 2.021 20 0 CEADMP CO[C@@H]1CC[C@@H]1[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000724221676 803064272 /nfs/dbraw/zinc/06/42/72/803064272.db2.gz XLRGPFNKDSHWKX-OLMTUDMXSA-N 2 1 252.402 2.016 20 0 CEADMP CCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267044037 803075470 /nfs/dbraw/zinc/07/54/70/803075470.db2.gz FYFBUTFYHFELJQ-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001207275398 803103332 /nfs/dbraw/zinc/10/33/32/803103332.db2.gz MVMCTQBJPQONAX-ZDUSSCGKSA-N 2 1 296.377 2.354 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001207275398 803103334 /nfs/dbraw/zinc/10/33/34/803103334.db2.gz MVMCTQBJPQONAX-ZDUSSCGKSA-N 2 1 296.377 2.354 20 0 CEADMP COCC[C@H]1CCCC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207285744 803133266 /nfs/dbraw/zinc/13/32/66/803133266.db2.gz NLDXSEHWRVWJLT-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP CC(C)CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167634238 803223384 /nfs/dbraw/zinc/22/33/84/803223384.db2.gz GSRIXXDFFDGSBF-MRXNPFEDSA-N 2 1 297.487 2.391 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721534804 803313697 /nfs/dbraw/zinc/31/36/97/803313697.db2.gz XURNVPYMFIASIZ-KGLIPLIRSA-N 2 1 265.401 2.375 20 0 CEADMP CCCCC[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001267296222 803342074 /nfs/dbraw/zinc/34/20/74/803342074.db2.gz JHAHSAKZKZBLNO-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001267296222 803342077 /nfs/dbraw/zinc/34/20/77/803342077.db2.gz JHAHSAKZKZBLNO-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267296222 803342084 /nfs/dbraw/zinc/34/20/84/803342084.db2.gz JHAHSAKZKZBLNO-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000721572841 803419277 /nfs/dbraw/zinc/41/92/77/803419277.db2.gz CKCFHCCPPXVPJP-GJZGRUSLSA-N 2 1 266.429 2.432 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCCC1 ZINC001267474025 803499069 /nfs/dbraw/zinc/49/90/69/803499069.db2.gz NOGVXNPDGCJZQG-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207441158 803618533 /nfs/dbraw/zinc/61/85/33/803618533.db2.gz UPSDGDJEILJRQM-CQSZACIVSA-N 2 1 282.428 2.040 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cnccc3C)C[C@H]2C1 ZINC001141047928 803687510 /nfs/dbraw/zinc/68/75/10/803687510.db2.gz BCDHRKLQXWEHDB-HZPDHXFCSA-N 2 1 259.397 2.164 20 0 CEADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC001207479421 803733320 /nfs/dbraw/zinc/73/33/20/803733320.db2.gz IOTGZGXSCOEOPH-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267931966 803827550 /nfs/dbraw/zinc/82/75/50/803827550.db2.gz AOGHHAQTEPVOPW-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP C[NH2+][C@H](C)CC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC001117953680 814969106 /nfs/dbraw/zinc/96/91/06/814969106.db2.gz LMGIXSMJVXFTNT-CQSZACIVSA-N 2 1 272.396 2.019 20 0 CEADMP C[C@@H]1C[C@@H](n2cncc2CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398088253 803849923 /nfs/dbraw/zinc/84/99/23/803849923.db2.gz INPKTUDXJGLXSW-RHSMWYFYSA-N 2 1 284.407 2.220 20 0 CEADMP CN(C)c1nc(NC2CCC(C)([NH+](C)C)CC2)cc[nH+]1 ZINC000715532858 814972915 /nfs/dbraw/zinc/97/29/15/814972915.db2.gz NREHWCOTRXRMTG-UHFFFAOYSA-N 2 1 277.416 2.217 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CCC(C)([NH+](C)C)CC2)CC1 ZINC000715541114 814973526 /nfs/dbraw/zinc/97/35/26/814973526.db2.gz FTRZAKXNGLQERQ-UHFFFAOYSA-N 3 1 267.461 2.323 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C[NH2+]CCC(C)(C)C ZINC001268000432 803902673 /nfs/dbraw/zinc/90/26/73/803902673.db2.gz KLNVRVRQPBUBHZ-GJZGRUSLSA-N 2 1 297.487 2.249 20 0 CEADMP Cc1[nH+]c(N)ccc1CNc1ccccc1CC[NH3+] ZINC001167787202 804191982 /nfs/dbraw/zinc/19/19/82/804191982.db2.gz UEIKZANAKAUZHJ-UHFFFAOYSA-N 2 1 256.353 2.086 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]12CCOC2 ZINC001167833699 804412368 /nfs/dbraw/zinc/41/23/68/804412368.db2.gz DHFOBFXCERMDKL-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1cncnc1 ZINC001167834665 804419540 /nfs/dbraw/zinc/41/95/40/804419540.db2.gz LPMBTLADHWQZJT-AWEZNQCLSA-N 2 1 264.417 2.419 20 0 CEADMP CCN1C[C@@H](C)[N@H+]([C@@H](C)CCC[NH+](CC)CC)CC1=O ZINC001167840044 804436722 /nfs/dbraw/zinc/43/67/22/804436722.db2.gz DKJUTHANLBEWFN-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)C1CN(C)C1 ZINC001167841727 804446261 /nfs/dbraw/zinc/44/62/61/804446261.db2.gz PQWXVYREJRMQNQ-CQSZACIVSA-N 2 1 255.450 2.133 20 0 CEADMP C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268413379 804660349 /nfs/dbraw/zinc/66/03/49/804660349.db2.gz DYPUGSUAHRZUCV-HUUCEWRRSA-N 2 1 297.487 2.249 20 0 CEADMP COc1cccc(OCC[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC000710041991 804915446 /nfs/dbraw/zinc/91/54/46/804915446.db2.gz WQOVOWDIGUFVKD-AWEZNQCLSA-N 2 1 278.396 2.148 20 0 CEADMP CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1=CCCCC1)[NH+](C)C ZINC001268754010 804959039 /nfs/dbraw/zinc/95/90/39/804959039.db2.gz YUWUHBJCFBJJAD-GOEBONIOSA-N 2 1 295.471 2.264 20 0 CEADMP CN(CCC[NH2+]CCC(C)(C)C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001268802556 804976491 /nfs/dbraw/zinc/97/64/91/804976491.db2.gz RRYSUAFGVXSGKV-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP COC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960388 805324069 /nfs/dbraw/zinc/32/40/69/805324069.db2.gz YTUCAJJOGBZGPN-JZIBPQBNSA-N 2 1 252.402 2.016 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)[C@@H]1CCOC1 ZINC001167964275 805446175 /nfs/dbraw/zinc/44/61/75/805446175.db2.gz OIIFKQDAPYXUFS-HNSVSWJLSA-N 2 1 264.413 2.018 20 0 CEADMP CCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001270604285 805483053 /nfs/dbraw/zinc/48/30/53/805483053.db2.gz QCGZPNVAQWALKU-LSDHHAIUSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971575 805499360 /nfs/dbraw/zinc/49/93/60/805499360.db2.gz YZHUHKIHLXXNRD-NKBFTAMNSA-N 2 1 278.440 2.406 20 0 CEADMP Cc1ncncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167978128 805511144 /nfs/dbraw/zinc/51/11/44/805511144.db2.gz JZZHYVHAUBXOED-ALOPSCKCSA-N 2 1 286.423 2.280 20 0 CEADMP Cc1ncncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167978128 805511146 /nfs/dbraw/zinc/51/11/46/805511146.db2.gz JZZHYVHAUBXOED-ALOPSCKCSA-N 2 1 286.423 2.280 20 0 CEADMP C[C@H]1CC[C@H](CO)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985596 805541407 /nfs/dbraw/zinc/54/14/07/805541407.db2.gz YRQKTFCXEYQURS-FRYFRDGCSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@H]1CC[C@H](CO)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167985596 805541411 /nfs/dbraw/zinc/54/14/11/805541411.db2.gz YRQKTFCXEYQURS-FRYFRDGCSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@H]1CC[C@H](CO)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167985596 805541418 /nfs/dbraw/zinc/54/14/18/805541418.db2.gz YRQKTFCXEYQURS-FRYFRDGCSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC001205064791 807197119 /nfs/dbraw/zinc/19/71/19/807197119.db2.gz VRJWBQOCFKNBTQ-BBRMVZONSA-N 2 1 270.380 2.184 20 0 CEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC001205064791 807197127 /nfs/dbraw/zinc/19/71/27/807197127.db2.gz VRJWBQOCFKNBTQ-BBRMVZONSA-N 2 1 270.380 2.184 20 0 CEADMP CCN(C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000229087073 807236157 /nfs/dbraw/zinc/23/61/57/807236157.db2.gz PZAYHJHWZFYNON-CABCVRRESA-N 2 1 295.471 2.084 20 0 CEADMP CCN(C(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000229087073 807236161 /nfs/dbraw/zinc/23/61/61/807236161.db2.gz PZAYHJHWZFYNON-CABCVRRESA-N 2 1 295.471 2.084 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000716224737 815107587 /nfs/dbraw/zinc/10/75/87/815107587.db2.gz CMFOWKHRXIHSIV-YJNKEBTESA-N 2 1 274.408 2.464 20 0 CEADMP Cc1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cnc1C ZINC001233160841 807378495 /nfs/dbraw/zinc/37/84/95/807378495.db2.gz IYZOTPRDCQIBRZ-MRXNPFEDSA-N 2 1 259.397 2.226 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001089236817 807449800 /nfs/dbraw/zinc/44/98/00/807449800.db2.gz XHZJHPSMRKCKLA-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001031050680 807620923 /nfs/dbraw/zinc/62/09/23/807620923.db2.gz UBUJKYLFPXPEPD-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001031050680 807620926 /nfs/dbraw/zinc/62/09/26/807620926.db2.gz UBUJKYLFPXPEPD-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP OC/C=C/C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716635343 815137212 /nfs/dbraw/zinc/13/72/12/815137212.db2.gz FIWIZLJLTKTWGV-KJUCQMERSA-N 2 1 286.419 2.178 20 0 CEADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@](C)(C(F)F)O1 ZINC000699311108 807679361 /nfs/dbraw/zinc/67/93/61/807679361.db2.gz JCTCRTGWJWUYCK-JBMNRGHBSA-N 2 1 288.382 2.262 20 0 CEADMP [NH3+][C@H]1CCC[N@H+](Cc2[nH]nc3cc(F)ccc32)CC1 ZINC001205117860 807707421 /nfs/dbraw/zinc/70/74/21/807707421.db2.gz XDRQSQILDJLIEP-NSHDSACASA-N 2 1 262.332 2.015 20 0 CEADMP [NH3+][C@H]1CCC[N@@H+](Cc2[nH]nc3cc(F)ccc32)CC1 ZINC001205117860 807707429 /nfs/dbraw/zinc/70/74/29/807707429.db2.gz XDRQSQILDJLIEP-NSHDSACASA-N 2 1 262.332 2.015 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716711426 815143150 /nfs/dbraw/zinc/14/31/50/815143150.db2.gz GESNYAZRJMSMIY-XBVQOTNRSA-N 2 1 274.408 2.010 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CC)[C@H](C)C1 ZINC001106907968 808101388 /nfs/dbraw/zinc/10/13/88/808101388.db2.gz KHMXRDUMQGKLFN-ARFHVFGLSA-N 2 1 297.487 2.058 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]C[C@@H](C)CC ZINC001127674488 808185032 /nfs/dbraw/zinc/18/50/32/808185032.db2.gz IOBGANVRIGBVHJ-UONOGXRCSA-N 2 1 294.443 2.149 20 0 CEADMP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171540387 815187352 /nfs/dbraw/zinc/18/73/52/815187352.db2.gz YJOSMJPUQWDDCA-HOCLYGCPSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001120045953 815191869 /nfs/dbraw/zinc/19/18/69/815191869.db2.gz JZMRGYJYJHBGGA-UHFFFAOYSA-N 2 1 295.471 2.147 20 0 CEADMP CO[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171630735 815201842 /nfs/dbraw/zinc/20/18/42/815201842.db2.gz AUQDKSYRPRJRRL-CYBMUJFWSA-N 2 1 254.418 2.359 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171596808 815202821 /nfs/dbraw/zinc/20/28/21/815202821.db2.gz RUBTUOSCTGKIQZ-ZDUSSCGKSA-N 2 1 271.449 2.001 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CCCC(C)C)CC1 ZINC001203456401 808517001 /nfs/dbraw/zinc/51/70/01/808517001.db2.gz WXZHJSVJIDJSBF-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP C[N@@H+](CC1COC1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639974 815213721 /nfs/dbraw/zinc/21/37/21/815213721.db2.gz XGFYINQJVOBYPT-UHFFFAOYSA-N 2 1 254.418 2.216 20 0 CEADMP CCCCCC[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171731752 815219734 /nfs/dbraw/zinc/21/97/34/815219734.db2.gz OIJHARPXYUUPDN-UHFFFAOYSA-N 2 1 285.476 2.395 20 0 CEADMP COC(=O)c1ccc([C@H](C)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)o1 ZINC000386945606 808592706 /nfs/dbraw/zinc/59/27/06/808592706.db2.gz MNLMSRATTPVRPA-RWMBFGLXSA-N 2 1 292.379 2.011 20 0 CEADMP COC(=O)c1ccc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)o1 ZINC000386945606 808592712 /nfs/dbraw/zinc/59/27/12/808592712.db2.gz MNLMSRATTPVRPA-RWMBFGLXSA-N 2 1 292.379 2.011 20 0 CEADMP COC(=O)c1ccc([C@H](C)[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)o1 ZINC000386945606 808592719 /nfs/dbraw/zinc/59/27/19/808592719.db2.gz MNLMSRATTPVRPA-RWMBFGLXSA-N 2 1 292.379 2.011 20 0 CEADMP COC(=O)c1ccc([C@H](C)[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)o1 ZINC000386945606 808592723 /nfs/dbraw/zinc/59/27/23/808592723.db2.gz MNLMSRATTPVRPA-RWMBFGLXSA-N 2 1 292.379 2.011 20 0 CEADMP COC(=O)c1ccc([C@H](C)[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)o1 ZINC000386945606 808592727 /nfs/dbraw/zinc/59/27/27/808592727.db2.gz MNLMSRATTPVRPA-RWMBFGLXSA-N 2 1 292.379 2.011 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1CC1 ZINC001272774841 808649075 /nfs/dbraw/zinc/64/90/75/808649075.db2.gz ZNCMYWMOHMVYIQ-GOEBONIOSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC001171762313 815226461 /nfs/dbraw/zinc/22/64/61/815226461.db2.gz IYZMTXHSOOBCLZ-JFIYKMOQSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC001171762313 815226463 /nfs/dbraw/zinc/22/64/63/815226463.db2.gz IYZMTXHSOOBCLZ-JFIYKMOQSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC001171762313 815226466 /nfs/dbraw/zinc/22/64/66/815226466.db2.gz IYZMTXHSOOBCLZ-JFIYKMOQSA-N 2 1 287.451 2.285 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001171762430 815226795 /nfs/dbraw/zinc/22/67/95/815226795.db2.gz DMECORMRHSBLKS-UHFFFAOYSA-N 2 1 297.487 2.250 20 0 CEADMP CCC1(Nc2ccc([C@@H]3CC[N@@H+](C)C3)cc2)C[NH2+]C1 ZINC001168587798 808680282 /nfs/dbraw/zinc/68/02/82/808680282.db2.gz WHQZKWPLZVZAET-CQSZACIVSA-N 2 1 259.397 2.270 20 0 CEADMP CC(C)(C)OC(=O)C1CCC([N@@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001171911958 815250183 /nfs/dbraw/zinc/25/01/83/815250183.db2.gz FEDJHHIIPXKXHA-RUXDESIVSA-N 2 1 282.428 2.310 20 0 CEADMP CC(C)(C)OC(=O)C1CCC([N@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001171911958 815250186 /nfs/dbraw/zinc/25/01/86/815250186.db2.gz FEDJHHIIPXKXHA-RUXDESIVSA-N 2 1 282.428 2.310 20 0 CEADMP CC[N@H+](CC[NH2+][C@H]1C[C@H](OC)C12CCC2)C(C)C ZINC000453090364 809036641 /nfs/dbraw/zinc/03/66/41/809036641.db2.gz KKJQBAXKVRGSPC-KBPBESRZSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@@H+](CC[NH2+][C@H]1C[C@H](OC)C12CCC2)C(C)C ZINC000453090364 809036651 /nfs/dbraw/zinc/03/66/51/809036651.db2.gz KKJQBAXKVRGSPC-KBPBESRZSA-N 2 1 254.418 2.264 20 0 CEADMP CC1(C)C[C@@H]([NH+]2CC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171975387 815265457 /nfs/dbraw/zinc/26/54/57/815265457.db2.gz CPTQTFVXOSCGEE-DLBZAZTESA-N 2 1 288.435 2.496 20 0 CEADMP CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223666 809239957 /nfs/dbraw/zinc/23/99/57/809239957.db2.gz SROKVTXEKNTEGI-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033223666 809239960 /nfs/dbraw/zinc/23/99/60/809239960.db2.gz SROKVTXEKNTEGI-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033223666 809239963 /nfs/dbraw/zinc/23/99/63/809239963.db2.gz SROKVTXEKNTEGI-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)c1cnc(C[NH+]2CCC(CC[NH3+])CC2)o1 ZINC000700795493 809348670 /nfs/dbraw/zinc/34/86/70/809348670.db2.gz RFSSGNZTGCALGC-UHFFFAOYSA-N 2 1 251.374 2.359 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](CCc2cc(F)cc(F)c2)CC[C@H]1F ZINC001206156347 815283220 /nfs/dbraw/zinc/28/32/20/815283220.db2.gz QGFREAQKCXYGJM-ZIAGYGMSSA-N 2 1 272.314 2.269 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](CCc2cc(F)cc(F)c2)CC[C@H]1F ZINC001206156347 815283223 /nfs/dbraw/zinc/28/32/23/815283223.db2.gz QGFREAQKCXYGJM-ZIAGYGMSSA-N 2 1 272.314 2.269 20 0 CEADMP COC(=O)CC[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172124642 815286168 /nfs/dbraw/zinc/28/61/68/815286168.db2.gz MJUSNVOESUALBP-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)CC[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172124642 815286172 /nfs/dbraw/zinc/28/61/72/815286172.db2.gz MJUSNVOESUALBP-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)CC[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172124642 815286173 /nfs/dbraw/zinc/28/61/73/815286173.db2.gz MJUSNVOESUALBP-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)CC[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172124642 815286176 /nfs/dbraw/zinc/28/61/76/815286176.db2.gz MJUSNVOESUALBP-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP C[N@H+]([C@@H]1CCC2(C1)OCCO2)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131451 815290259 /nfs/dbraw/zinc/29/02/59/815290259.db2.gz XCBGAIYJQXSKQA-QKPAOTATSA-N 2 1 294.439 2.229 20 0 CEADMP C[N@@H+]([C@@H]1CCC2(C1)OCCO2)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172131451 815290265 /nfs/dbraw/zinc/29/02/65/815290265.db2.gz XCBGAIYJQXSKQA-QKPAOTATSA-N 2 1 294.439 2.229 20 0 CEADMP C[NH+]([C@@H]1CCC2(C1)OCCO2)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172131451 815290269 /nfs/dbraw/zinc/29/02/69/815290269.db2.gz XCBGAIYJQXSKQA-QKPAOTATSA-N 2 1 294.439 2.229 20 0 CEADMP C[NH+]([C@@H]1CCC2(C1)OCCO2)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172131451 815290273 /nfs/dbraw/zinc/29/02/73/815290273.db2.gz XCBGAIYJQXSKQA-QKPAOTATSA-N 2 1 294.439 2.229 20 0 CEADMP CC[N@H+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C(C)(C)C1 ZINC001172132002 815290836 /nfs/dbraw/zinc/29/08/36/815290836.db2.gz IUXOQVVMISZXKQ-MUJYYYPQSA-N 2 1 279.472 2.418 20 0 CEADMP CC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C(C)(C)C1 ZINC001172132002 815290840 /nfs/dbraw/zinc/29/08/40/815290840.db2.gz IUXOQVVMISZXKQ-MUJYYYPQSA-N 2 1 279.472 2.418 20 0 CEADMP CC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C(C)(C)C1 ZINC001172132002 815290845 /nfs/dbraw/zinc/29/08/45/815290845.db2.gz IUXOQVVMISZXKQ-MUJYYYPQSA-N 2 1 279.472 2.418 20 0 CEADMP C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000702069682 809493140 /nfs/dbraw/zinc/49/31/40/809493140.db2.gz PQXFOZPESTUWLE-YRXWBPOGSA-N 2 1 299.462 2.178 20 0 CEADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000702069682 809493145 /nfs/dbraw/zinc/49/31/45/809493145.db2.gz PQXFOZPESTUWLE-YRXWBPOGSA-N 3 1 299.462 2.178 20 0 CEADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000702069682 809493149 /nfs/dbraw/zinc/49/31/49/809493149.db2.gz PQXFOZPESTUWLE-YRXWBPOGSA-N 3 1 299.462 2.178 20 0 CEADMP C[C@]12C[NH+](C[C@H]3C[C@@H]([NH3+])C3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702069682 809493151 /nfs/dbraw/zinc/49/31/51/809493151.db2.gz PQXFOZPESTUWLE-YRXWBPOGSA-N 3 1 299.462 2.178 20 0 CEADMP C[C@]12C[NH+](C[C@H]3C[C@@H]([NH3+])C3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702069682 809493157 /nfs/dbraw/zinc/49/31/57/809493157.db2.gz PQXFOZPESTUWLE-YRXWBPOGSA-N 3 1 299.462 2.178 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3nonc3c1)C2 ZINC001172104089 815294066 /nfs/dbraw/zinc/29/40/66/815294066.db2.gz ZTBQUVDVNCLDAV-BTTYYORXSA-N 2 1 286.379 2.328 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cncnc1 ZINC001172104537 815294152 /nfs/dbraw/zinc/29/41/52/815294152.db2.gz CMFGRGNTBVIKSY-MHEUCROKSA-N 2 1 260.385 2.143 20 0 CEADMP CC(=O)CC[N@H+]1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000702298354 809529771 /nfs/dbraw/zinc/52/97/71/809529771.db2.gz ZOXBFWKEFFUJFG-MSOLQXFVSA-N 2 1 286.419 2.419 20 0 CEADMP CC(=O)CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702298354 809529773 /nfs/dbraw/zinc/52/97/73/809529773.db2.gz ZOXBFWKEFFUJFG-MSOLQXFVSA-N 2 1 286.419 2.419 20 0 CEADMP CC(=O)CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702298354 809529782 /nfs/dbraw/zinc/52/97/82/809529782.db2.gz ZOXBFWKEFFUJFG-MSOLQXFVSA-N 2 1 286.419 2.419 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H](C)O1 ZINC001172112856 815300440 /nfs/dbraw/zinc/30/04/40/815300440.db2.gz GEBFLWVVUPYJQO-ARILJUKYSA-N 2 1 252.402 2.111 20 0 CEADMP Cn1cc(C2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC001172108598 815297721 /nfs/dbraw/zinc/29/77/21/815297721.db2.gz YBAJBHHJYZVTEE-QKDCVEJESA-N 2 1 274.412 2.014 20 0 CEADMP Cn1cc(C2([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC001172108598 815297725 /nfs/dbraw/zinc/29/77/25/815297725.db2.gz YBAJBHHJYZVTEE-QKDCVEJESA-N 2 1 274.412 2.014 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)c1ccccc1F)C2 ZINC001172111232 815299979 /nfs/dbraw/zinc/29/99/79/815299979.db2.gz OMQCIQBSRCINOI-UMPJEAMMSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)c1ccccc1F)C2 ZINC001172111232 815299982 /nfs/dbraw/zinc/29/99/82/815299982.db2.gz OMQCIQBSRCINOI-UMPJEAMMSA-N 2 1 292.398 2.464 20 0 CEADMP COC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172112680 815300693 /nfs/dbraw/zinc/30/06/93/815300693.db2.gz ZFZGRSXIBZTPAX-LXTVHRRPSA-N 2 1 252.402 2.016 20 0 CEADMP COC[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172112680 815300698 /nfs/dbraw/zinc/30/06/98/815300698.db2.gz ZFZGRSXIBZTPAX-LXTVHRRPSA-N 2 1 252.402 2.016 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC3(COC3)C1)C2 ZINC001172116702 815306909 /nfs/dbraw/zinc/30/69/09/815306909.db2.gz CCMOVYVOGJTWJV-QDMKHBRRSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC3(COC3)C1)C2 ZINC001172116702 815306915 /nfs/dbraw/zinc/30/69/15/815306915.db2.gz CCMOVYVOGJTWJV-QDMKHBRRSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC3(COC3)C1)C2 ZINC001172116702 815306921 /nfs/dbraw/zinc/30/69/21/815306921.db2.gz CCMOVYVOGJTWJV-QDMKHBRRSA-N 2 1 264.413 2.114 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(c3cnccn3)CC1)C2 ZINC001172110545 815301785 /nfs/dbraw/zinc/30/17/85/815301785.db2.gz KFZRAUOPXMALRS-QKDCVEJESA-N 2 1 286.423 2.113 20 0 CEADMP C[NH+](C)C1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172113841 815302539 /nfs/dbraw/zinc/30/25/39/815302539.db2.gz NBQALDYJIDFTPA-MUJYYYPQSA-N 2 1 265.445 2.028 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1coc3ccccc13)C2 ZINC000703568138 809668842 /nfs/dbraw/zinc/66/88/42/809668842.db2.gz YDJKPWVPUCRTRY-XJKSGUPXSA-N 2 1 256.349 2.474 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1coc3ccccc13)C2 ZINC000703568138 809668845 /nfs/dbraw/zinc/66/88/45/809668845.db2.gz YDJKPWVPUCRTRY-XJKSGUPXSA-N 2 1 256.349 2.474 20 0 CEADMP COC1CC(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000703844335 809698027 /nfs/dbraw/zinc/69/80/27/809698027.db2.gz HXDKMSROPVZMBQ-INXRADFVSA-N 2 1 274.408 2.086 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCN1CCC[C@H](F)C1)C2 ZINC001172119295 815309884 /nfs/dbraw/zinc/30/98/84/815309884.db2.gz YMSVVRPCWHMBGB-JONQDZQNSA-N 2 1 283.435 2.025 20 0 CEADMP COC(=O)C1(C)CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001168759512 809727254 /nfs/dbraw/zinc/72/72/54/809727254.db2.gz WBJLJNGFNHMXLJ-UHFFFAOYSA-N 2 1 294.439 2.325 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc4c3NCCC4)C[C@@H]2C1 ZINC000707059487 809873054 /nfs/dbraw/zinc/87/30/54/809873054.db2.gz YPKLYPFISDSTQS-IYBDPMFKSA-N 2 1 271.408 2.038 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4c3NCCC4)C[C@@H]2C1 ZINC000707059487 809873060 /nfs/dbraw/zinc/87/30/60/809873060.db2.gz YPKLYPFISDSTQS-IYBDPMFKSA-N 2 1 271.408 2.038 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4c3NCCC4)C[C@@H]2C1 ZINC000707059487 809873066 /nfs/dbraw/zinc/87/30/66/809873066.db2.gz YPKLYPFISDSTQS-IYBDPMFKSA-N 2 1 271.408 2.038 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc4c3NCCC4)C[C@@H]2C1 ZINC000707059487 809873071 /nfs/dbraw/zinc/87/30/71/809873071.db2.gz YPKLYPFISDSTQS-IYBDPMFKSA-N 2 1 271.408 2.038 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCS1 ZINC000707337168 809896509 /nfs/dbraw/zinc/89/65/09/809896509.db2.gz HXZZQHHLPKTCQT-ZIAGYGMSSA-N 2 1 256.459 2.450 20 0 CEADMP CC1(C)CO[C@@H](C[NH+]2CCC([NH2+]CC3CC3)CC2)C1 ZINC000708338002 809926153 /nfs/dbraw/zinc/92/61/53/809926153.db2.gz AMENYWHOUUXDDR-OAHLLOKOSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)(C)[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000708928862 809938600 /nfs/dbraw/zinc/93/86/00/809938600.db2.gz YFEBABXDTFPQBE-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(C)[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000708928862 809938603 /nfs/dbraw/zinc/93/86/03/809938603.db2.gz YFEBABXDTFPQBE-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000709688964 809953093 /nfs/dbraw/zinc/95/30/93/809953093.db2.gz URNVMPOMUDLFDN-OLZOCXBDSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000709549647 809963920 /nfs/dbraw/zinc/96/39/20/809963920.db2.gz BUNUWVVAUSPDSW-QWRGUYRKSA-N 2 1 250.308 2.260 20 0 CEADMP C[NH+](C)C1(C)CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000709797080 809970652 /nfs/dbraw/zinc/97/06/52/809970652.db2.gz OEOSLAQTRIQKBL-HNNXBMFYSA-N 2 1 262.397 2.136 20 0 CEADMP c1csc([C@H]2CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000710466723 809989666 /nfs/dbraw/zinc/98/96/66/809989666.db2.gz LPTXLICJIIZTRZ-PBNFFQIGSA-N 2 1 277.437 2.463 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CCC[NH+]1CCCCC1 ZINC000710833828 809995650 /nfs/dbraw/zinc/99/56/50/809995650.db2.gz MTJBLDMYCDEUFL-UHFFFAOYSA-N 3 1 255.450 2.313 20 0 CEADMP C[N@H+](CCCCCC[NH3+])CCCN1CCCCC1 ZINC000710833828 809995654 /nfs/dbraw/zinc/99/56/54/809995654.db2.gz MTJBLDMYCDEUFL-UHFFFAOYSA-N 2 1 255.450 2.313 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CCCN1CCCCC1 ZINC000710833828 809995658 /nfs/dbraw/zinc/99/56/58/809995658.db2.gz MTJBLDMYCDEUFL-UHFFFAOYSA-N 2 1 255.450 2.313 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000923371705 810089510 /nfs/dbraw/zinc/08/95/10/810089510.db2.gz ZKVAANYRKLWXLV-STQMWFEESA-N 2 1 288.794 2.476 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000711838379 810097383 /nfs/dbraw/zinc/09/73/83/810097383.db2.gz CFVOOKJBJKGQAF-HOCLYGCPSA-N 2 1 266.429 2.266 20 0 CEADMP C1CC([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]2CCOC2)C1 ZINC000711838212 810098049 /nfs/dbraw/zinc/09/80/49/810098049.db2.gz ZPHLRHDCICYFPG-VQHPVUNQSA-N 2 1 278.440 2.408 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923503617 810105596 /nfs/dbraw/zinc/10/55/96/810105596.db2.gz JPRWUFNYVRZFNT-JKSUJKDBSA-N 2 1 297.487 2.044 20 0 CEADMP CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001080557107 810293112 /nfs/dbraw/zinc/29/31/12/810293112.db2.gz FXZVSJZDTULCCP-OAGGEKHMSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001080557107 810293119 /nfs/dbraw/zinc/29/31/19/810293119.db2.gz FXZVSJZDTULCCP-OAGGEKHMSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001080557107 810293124 /nfs/dbraw/zinc/29/31/24/810293124.db2.gz FXZVSJZDTULCCP-OAGGEKHMSA-N 2 1 295.471 2.096 20 0 CEADMP COCCC[NH+]1CCC([N@H+](C)CC2CCC2)CC1 ZINC001172256474 815360101 /nfs/dbraw/zinc/36/01/01/815360101.db2.gz YGIXRWRXNYXRCH-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP COCCC[NH+]1CCC([N@@H+](C)CC2CCC2)CC1 ZINC001172256474 815360107 /nfs/dbraw/zinc/36/01/07/815360107.db2.gz YGIXRWRXNYXRCH-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=O)CCCCC1CC[NH2+]CC1 ZINC001121974909 815373831 /nfs/dbraw/zinc/37/38/31/815373831.db2.gz MOLXHGWLGZTBFO-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP COc1c[nH+]c(NCC(C)(C)C[NH+](C)C)cc1C ZINC001168766764 810630752 /nfs/dbraw/zinc/63/07/52/810630752.db2.gz SLDZDMJENQEIIU-UHFFFAOYSA-N 2 1 251.374 2.398 20 0 CEADMP CCN(CC[NH2+]CCCC1CCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001273298549 810642351 /nfs/dbraw/zinc/64/23/51/810642351.db2.gz SJIWYFFTKRXNFM-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CN(C[C@@H]1CC[N@H+]1CCC(C)(C)C)C(=O)[C@H]1CCC[NH+]1C ZINC001085518805 810803824 /nfs/dbraw/zinc/80/38/24/810803824.db2.gz ZMRVJVSLFDPMFW-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP CN(C[C@@H]1CC[NH+]1CCC(C)(C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001085518805 810803831 /nfs/dbraw/zinc/80/38/31/810803831.db2.gz ZMRVJVSLFDPMFW-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP CN(C[C@@H]1CC[NH+]1CCC(C)(C)C)C(=O)[C@H]1CCC[N@H+]1C ZINC001085518805 810803837 /nfs/dbraw/zinc/80/38/37/810803837.db2.gz ZMRVJVSLFDPMFW-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP [NH3+][C@@H]1CCC[C@H](Nc2nc(N3CCCCC3)cc[nH+]2)C1 ZINC001154985593 810879074 /nfs/dbraw/zinc/87/90/74/810879074.db2.gz NQOWUHVZWFDAGL-OLZOCXBDSA-N 2 1 275.400 2.149 20 0 CEADMP COc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001204088489 815405747 /nfs/dbraw/zinc/40/57/47/815405747.db2.gz FWDIQRGIBXIUHX-RBSFLKMASA-N 2 1 260.381 2.125 20 0 CEADMP COc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001204088489 815405751 /nfs/dbraw/zinc/40/57/51/815405751.db2.gz FWDIQRGIBXIUHX-RBSFLKMASA-N 2 1 260.381 2.125 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC ZINC001085918577 810969702 /nfs/dbraw/zinc/96/97/02/810969702.db2.gz HYDTZVMGDFKVIH-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC ZINC001085918577 810969705 /nfs/dbraw/zinc/96/97/05/810969705.db2.gz HYDTZVMGDFKVIH-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCC(C)(C)C)C1 ZINC001129327740 811067323 /nfs/dbraw/zinc/06/73/23/811067323.db2.gz IKBLIUZZJZYBNH-HNNXBMFYSA-N 2 1 297.487 2.106 20 0 CEADMP C([NH2+][C@@H]1CC2CCC1CC2)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000382059667 811198214 /nfs/dbraw/zinc/19/82/14/811198214.db2.gz XRYVWAOAXDEQPC-KDQUWOQTSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+][C@@H]1CC2CCC1CC2)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000382059667 811198218 /nfs/dbraw/zinc/19/82/18/811198218.db2.gz XRYVWAOAXDEQPC-KDQUWOQTSA-N 2 1 264.413 2.018 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205994095 811260414 /nfs/dbraw/zinc/26/04/14/811260414.db2.gz JFIXXHAPPKLOQT-CMPLNLGQSA-N 2 1 253.415 2.258 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001168845195 811276176 /nfs/dbraw/zinc/27/61/76/811276176.db2.gz KWCZLWZAZPHFAW-ZIAGYGMSSA-N 2 1 299.459 2.268 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001168845195 811276183 /nfs/dbraw/zinc/27/61/83/811276183.db2.gz KWCZLWZAZPHFAW-ZIAGYGMSSA-N 2 1 299.459 2.268 20 0 CEADMP CC(C)C[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001042723667 811323748 /nfs/dbraw/zinc/32/37/48/811323748.db2.gz KFCUEQVEBBTPFJ-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1cnc(C[NH3+])n1-c1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC001169027439 811339880 /nfs/dbraw/zinc/33/98/80/811339880.db2.gz FXUCZSKBPTZIAD-CQSZACIVSA-N 2 1 285.395 2.191 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(O)cc1)C2 ZINC001169094468 811365453 /nfs/dbraw/zinc/36/54/53/811365453.db2.gz LRPSLVRYFJWNHV-QKDCVEJESA-N 2 1 260.381 2.150 20 0 CEADMP CC(C)[NH+](CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC001169096920 811368965 /nfs/dbraw/zinc/36/89/65/811368965.db2.gz ZWQLSFIEEDKOEZ-MUJYYYPQSA-N 2 1 267.461 2.320 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CCC3(COC3)CC1)C2 ZINC001169097577 811370388 /nfs/dbraw/zinc/37/03/88/811370388.db2.gz BXTWKOYIXHKWBN-PHZGNYQRSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OC(F)F)nc1)C2 ZINC001169099560 811371275 /nfs/dbraw/zinc/37/12/75/811371275.db2.gz BLOFTJRQBDGPED-XYYAHUGASA-N 2 1 297.349 2.398 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OC(F)F)nc1)C2 ZINC001169099560 811371284 /nfs/dbraw/zinc/37/12/84/811371284.db2.gz BLOFTJRQBDGPED-XYYAHUGASA-N 2 1 297.349 2.398 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091825 811383767 /nfs/dbraw/zinc/38/37/67/811383767.db2.gz VWBDBISPTYOUFF-SYQHCUMBSA-N 2 1 297.443 2.114 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCc1[nH+]cn3ccccc13)C2 ZINC001169117330 811386513 /nfs/dbraw/zinc/38/65/13/811386513.db2.gz YOOMGCNXFKFROM-ZSOGYDGISA-N 2 1 270.380 2.049 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCc1[nH+]cn3ccccc13)C2 ZINC001169117330 811386522 /nfs/dbraw/zinc/38/65/22/811386522.db2.gz YOOMGCNXFKFROM-ZSOGYDGISA-N 2 1 270.380 2.049 20 0 CEADMP C[N@@H+](CCc1ccccn1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124996 811391230 /nfs/dbraw/zinc/39/12/30/811391230.db2.gz VYFMAMSVRUOMQD-ZSHCYNCHSA-N 2 1 259.397 2.181 20 0 CEADMP C[NH+](CCc1ccccn1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124996 811391238 /nfs/dbraw/zinc/39/12/38/811391238.db2.gz VYFMAMSVRUOMQD-ZSHCYNCHSA-N 2 1 259.397 2.181 20 0 CEADMP C[NH+](CCc1ccccn1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124996 811391247 /nfs/dbraw/zinc/39/12/47/811391247.db2.gz VYFMAMSVRUOMQD-ZSHCYNCHSA-N 2 1 259.397 2.181 20 0 CEADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@]1(C)O ZINC001169126471 811396097 /nfs/dbraw/zinc/39/60/97/811396097.db2.gz UKTLZXWRBSVVJH-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[C@]1(C)O ZINC001169126471 811396106 /nfs/dbraw/zinc/39/61/06/811396106.db2.gz UKTLZXWRBSVVJH-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[C@]1(C)O ZINC001169126471 811396114 /nfs/dbraw/zinc/39/61/14/811396114.db2.gz UKTLZXWRBSVVJH-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CC[NH+](CC(C)(C)C)C1)C2 ZINC001169109417 811403559 /nfs/dbraw/zinc/40/35/59/811403559.db2.gz ICXWSKUEZVVKIY-JONQDZQNSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CC[N@H+](CC(C)(C)C)C1)C2 ZINC001169109417 811403563 /nfs/dbraw/zinc/40/35/63/811403563.db2.gz ICXWSKUEZVVKIY-JONQDZQNSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CC[N@@H+](CC(C)(C)C)C1)C2 ZINC001169109417 811403565 /nfs/dbraw/zinc/40/35/65/811403565.db2.gz ICXWSKUEZVVKIY-JONQDZQNSA-N 2 1 279.472 2.322 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108334 811404729 /nfs/dbraw/zinc/40/47/29/811404729.db2.gz RKRYAGCRJSKNIB-XLAORIBOSA-N 2 1 288.435 2.459 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCC(CC[NH3+])CC1)C2 ZINC001169111930 811405182 /nfs/dbraw/zinc/40/51/82/811405182.db2.gz QZXUPBVUYJBEFO-WQZDSJPGSA-N 3 1 265.445 2.109 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCC(CC[NH3+])CC1)C2 ZINC001169111930 811405186 /nfs/dbraw/zinc/40/51/86/811405186.db2.gz QZXUPBVUYJBEFO-WQZDSJPGSA-N 2 1 265.445 2.109 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)C2 ZINC001169114832 811407024 /nfs/dbraw/zinc/40/70/24/811407024.db2.gz ZBPAIHIVVOOIPJ-VBUUOAMHSA-N 3 1 291.483 2.466 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)C2 ZINC001169114832 811407030 /nfs/dbraw/zinc/40/70/30/811407030.db2.gz ZBPAIHIVVOOIPJ-VBUUOAMHSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](c3cccnc3)C1)C2 ZINC001169141343 811408014 /nfs/dbraw/zinc/40/80/14/811408014.db2.gz PWBFPQDMKOVWHT-MWDXBVQZSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](c3cccnc3)C1)C2 ZINC001169141343 811408019 /nfs/dbraw/zinc/40/80/19/811408019.db2.gz PWBFPQDMKOVWHT-MWDXBVQZSA-N 2 1 271.408 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](c3cccnc3)C1)C2 ZINC001169141343 811408023 /nfs/dbraw/zinc/40/80/23/811408023.db2.gz PWBFPQDMKOVWHT-MWDXBVQZSA-N 2 1 271.408 2.496 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1C[C@@H]3C[C@H]1[C@H](C(F)(F)F)O3)C2 ZINC001169152602 811414192 /nfs/dbraw/zinc/41/41/92/811414192.db2.gz CQFKSVJMCNRUTB-XALSLBCYSA-N 2 1 290.329 2.016 20 0 CEADMP C[N@@H+](C1CC1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169155546 811416725 /nfs/dbraw/zinc/41/67/25/811416725.db2.gz QVLAHDGUGIEHJV-BJWYYQGGSA-N 2 1 277.456 2.170 20 0 CEADMP C[NH+](C1CC1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169155546 811416729 /nfs/dbraw/zinc/41/67/29/811416729.db2.gz QVLAHDGUGIEHJV-BJWYYQGGSA-N 2 1 277.456 2.170 20 0 CEADMP C[NH+](C1CC1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169155546 811416731 /nfs/dbraw/zinc/41/67/31/811416731.db2.gz QVLAHDGUGIEHJV-BJWYYQGGSA-N 2 1 277.456 2.170 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@]3(C1)CC(F)(F)CO3)C2 ZINC001169155598 811416919 /nfs/dbraw/zinc/41/69/19/811416919.db2.gz RZRJVXQZWUQPAI-CRWXNKLISA-N 2 1 286.366 2.112 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@]3(C1)CC(F)(F)CO3)C2 ZINC001169155598 811416925 /nfs/dbraw/zinc/41/69/25/811416925.db2.gz RZRJVXQZWUQPAI-CRWXNKLISA-N 2 1 286.366 2.112 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@]3(C1)CC(F)(F)CO3)C2 ZINC001169155598 811416930 /nfs/dbraw/zinc/41/69/30/811416930.db2.gz RZRJVXQZWUQPAI-CRWXNKLISA-N 2 1 286.366 2.112 20 0 CEADMP Cc1nnc(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC001169155583 811417024 /nfs/dbraw/zinc/41/70/24/811417024.db2.gz RSSNQVDQSISPLU-QDMKHBRRSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nnc(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC001169155583 811417029 /nfs/dbraw/zinc/41/70/29/811417029.db2.gz RSSNQVDQSISPLU-QDMKHBRRSA-N 2 1 290.411 2.183 20 0 CEADMP CC[NH+]1CCC([N@H+](C(C)C)C2CCOCC2)CC1 ZINC001169264328 811454086 /nfs/dbraw/zinc/45/40/86/811454086.db2.gz KGHKNBNQJLIAQI-UHFFFAOYSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CCC([N@@H+](C(C)C)C2CCOCC2)CC1 ZINC001169264328 811454092 /nfs/dbraw/zinc/45/40/92/811454092.db2.gz KGHKNBNQJLIAQI-UHFFFAOYSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(F)ccn2)CCC[C@H]1C[NH3+] ZINC001206011827 811512910 /nfs/dbraw/zinc/51/29/10/811512910.db2.gz GTDFRMBEDMUJQP-RYUDHWBXSA-N 2 1 251.349 2.028 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001045228840 811586048 /nfs/dbraw/zinc/58/60/48/811586048.db2.gz CDFKSTVANWKNSV-JKSUJKDBSA-N 2 1 295.471 2.238 20 0 CEADMP CC(=O)N1CCC[C@@H]([N@H+](C)CC2CC[NH+](C(C)C)CC2)C1 ZINC001169614305 811600731 /nfs/dbraw/zinc/60/07/31/811600731.db2.gz FCOWYQYWGBDYLO-QGZVFWFLSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ncn3ccccc23)CCC[C@H]1C[NH3+] ZINC001206014134 811603466 /nfs/dbraw/zinc/60/34/66/811603466.db2.gz WCVAYQQLWYQWGN-KGLIPLIRSA-N 2 1 272.396 2.141 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCC(C)(C)C)C1 ZINC001046197600 811705894 /nfs/dbraw/zinc/70/58/94/811705894.db2.gz MSBSCVKMDVUNDR-RHSMWYFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CCC(C)(C)C)C1 ZINC001046197600 811705898 /nfs/dbraw/zinc/70/58/98/811705898.db2.gz MSBSCVKMDVUNDR-RHSMWYFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CCC(C)(C)C)C1 ZINC001046197600 811705903 /nfs/dbraw/zinc/70/59/03/811705903.db2.gz MSBSCVKMDVUNDR-RHSMWYFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169963661 811729009 /nfs/dbraw/zinc/72/90/09/811729009.db2.gz YHOFWFFZLKUDKF-HNNXBMFYSA-N 2 1 282.428 2.088 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)CCC[NH+]2CCCC2)C1 ZINC001172616529 815475640 /nfs/dbraw/zinc/47/56/40/815475640.db2.gz MSANLVMEPPSQML-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169978612 811822856 /nfs/dbraw/zinc/82/28/56/811822856.db2.gz YENDSEFNQOYUES-CQSZACIVSA-N 2 1 283.460 2.471 20 0 CEADMP CC[N@H+](C)C1CC[NH+]([C@@H]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001172632423 815479375 /nfs/dbraw/zinc/47/93/75/815479375.db2.gz JOFQYALXFRTIQC-UKRRQHHQSA-N 2 1 282.428 2.134 20 0 CEADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001172632423 815479377 /nfs/dbraw/zinc/47/93/77/815479377.db2.gz JOFQYALXFRTIQC-UKRRQHHQSA-N 2 1 282.428 2.134 20 0 CEADMP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156889605 811939480 /nfs/dbraw/zinc/93/94/80/811939480.db2.gz AADQQRVEVHZUGV-GDBMZVCRSA-N 2 1 297.487 2.201 20 0 CEADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156889605 811939484 /nfs/dbraw/zinc/93/94/84/811939484.db2.gz AADQQRVEVHZUGV-GDBMZVCRSA-N 2 1 297.487 2.201 20 0 CEADMP CCC(CC)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156889605 811939489 /nfs/dbraw/zinc/93/94/89/811939489.db2.gz AADQQRVEVHZUGV-GDBMZVCRSA-N 2 1 297.487 2.201 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(c3cc4[nH]ccc4c[nH+]3)C[C@H]21 ZINC001157260895 812059331 /nfs/dbraw/zinc/05/93/31/812059331.db2.gz NUCSOQRGSZQWJW-TZMCWYRMSA-N 2 1 256.353 2.093 20 0 CEADMP CC/C=C/CC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001112987260 812135726 /nfs/dbraw/zinc/13/57/26/812135726.db2.gz AVEBAPIPIJMFGK-WAVCKPEOSA-N 2 1 295.471 2.073 20 0 CEADMP CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(C)C)[NH+](C)C ZINC001049550108 812165861 /nfs/dbraw/zinc/16/58/61/812165861.db2.gz KCFMACZMOMWGCA-PMPSAXMXSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@@H]1CC[C@H]([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170119206 812166675 /nfs/dbraw/zinc/16/66/75/812166675.db2.gz WFYZIZVZMRNXKW-SYQHCUMBSA-N 2 1 252.402 2.146 20 0 CEADMP CC[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(C)C)[NH+](C)C ZINC001049727550 812199593 /nfs/dbraw/zinc/19/95/93/812199593.db2.gz KCFMACZMOMWGCA-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000396538854 812255112 /nfs/dbraw/zinc/25/51/12/812255112.db2.gz KEUZKTIEODCACB-GDBMZVCRSA-N 2 1 267.461 2.371 20 0 CEADMP CCC/C=C/CC[NH+]1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001113499013 812263296 /nfs/dbraw/zinc/26/32/96/812263296.db2.gz DLSFLDFFVWMORN-BQYQJAHWSA-N 2 1 295.471 2.219 20 0 CEADMP Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc1 ZINC000399796022 812264627 /nfs/dbraw/zinc/26/46/27/812264627.db2.gz XBPQVUGHHLYNCX-MQVJKMGUSA-N 2 1 259.397 2.147 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CCO1 ZINC001170237571 812351474 /nfs/dbraw/zinc/35/14/74/812351474.db2.gz XBIRKRHBCJAQPB-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCOC1)c1ccccc1 ZINC001254367877 812367100 /nfs/dbraw/zinc/36/71/00/812367100.db2.gz NZJHXJMQIIZZDJ-HOTGVXAUSA-N 2 1 262.397 2.448 20 0 CEADMP COc1cc(F)ccc1C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254505216 812419736 /nfs/dbraw/zinc/41/97/36/812419736.db2.gz CKONBTYZKDPVKN-CQSZACIVSA-N 2 1 266.360 2.408 20 0 CEADMP COc1cc(F)ccc1C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254505216 812419741 /nfs/dbraw/zinc/41/97/41/812419741.db2.gz CKONBTYZKDPVKN-CQSZACIVSA-N 2 1 266.360 2.408 20 0 CEADMP CCOC(=O)C[C@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254518689 812433354 /nfs/dbraw/zinc/43/33/54/812433354.db2.gz DAPUATJIZFSJPK-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)C[C@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254518689 812433359 /nfs/dbraw/zinc/43/33/59/812433359.db2.gz DAPUATJIZFSJPK-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)C[C@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254518689 812433362 /nfs/dbraw/zinc/43/33/62/812433362.db2.gz DAPUATJIZFSJPK-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)C(=O)N(C)C1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254532514 812457691 /nfs/dbraw/zinc/45/76/91/812457691.db2.gz TUQPIVXMMBRNEH-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CC[N@H+](C)C1)CC2 ZINC001172824753 815527415 /nfs/dbraw/zinc/52/74/15/815527415.db2.gz AFYSUNAQUBEGTF-PBHICJAKSA-N 2 1 258.409 2.394 20 0 CEADMP CCOC(=O)c1ccc(CCC[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206053372 812471848 /nfs/dbraw/zinc/47/18/48/812471848.db2.gz SUNFWXCKSXAVCT-CZUORRHYSA-N 2 1 290.407 2.075 20 0 CEADMP CCOC(=O)c1ccc(CCC[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206053372 812471850 /nfs/dbraw/zinc/47/18/50/812471850.db2.gz SUNFWXCKSXAVCT-CZUORRHYSA-N 2 1 290.407 2.075 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052956040 812477776 /nfs/dbraw/zinc/47/77/76/812477776.db2.gz NZEJAXSMEVOBEL-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001052956040 812477779 /nfs/dbraw/zinc/47/77/79/812477779.db2.gz NZEJAXSMEVOBEL-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001052956040 812477785 /nfs/dbraw/zinc/47/77/85/812477785.db2.gz NZEJAXSMEVOBEL-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052956041 812477997 /nfs/dbraw/zinc/47/79/97/812477997.db2.gz NZEJAXSMEVOBEL-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001052956041 812478002 /nfs/dbraw/zinc/47/80/02/812478002.db2.gz NZEJAXSMEVOBEL-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001052956041 812478004 /nfs/dbraw/zinc/47/80/04/812478004.db2.gz NZEJAXSMEVOBEL-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@H](C)C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622674 812591299 /nfs/dbraw/zinc/59/12/99/812591299.db2.gz UVMNTDRYHUKNDE-AWEZNQCLSA-N 2 1 297.487 2.391 20 0 CEADMP CC(C)C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622670 812591830 /nfs/dbraw/zinc/59/18/30/812591830.db2.gz UCRYEPWIJQJVQP-UHFFFAOYSA-N 2 1 283.460 2.001 20 0 CEADMP CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001050256583 812799885 /nfs/dbraw/zinc/79/98/85/812799885.db2.gz AAVKSLHGVPTSOL-CZUORRHYSA-N 2 1 289.423 2.068 20 0 CEADMP CCC(CC)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277385 812819106 /nfs/dbraw/zinc/81/91/06/812819106.db2.gz GLXUXEQPSWYHRH-GOEBONIOSA-N 2 1 297.487 2.343 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC2CCC2)C1 ZINC001132410868 812844615 /nfs/dbraw/zinc/84/46/15/812844615.db2.gz PHCDYDCGWFTEKC-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132410868 812844623 /nfs/dbraw/zinc/84/46/23/812844623.db2.gz PHCDYDCGWFTEKC-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCC2)C1 ZINC001132410868 812844627 /nfs/dbraw/zinc/84/46/27/812844627.db2.gz PHCDYDCGWFTEKC-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCC2)C1 ZINC001132441066 812855857 /nfs/dbraw/zinc/85/58/57/812855857.db2.gz KAWMRIMPSQFWRH-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132441066 812855868 /nfs/dbraw/zinc/85/58/68/812855868.db2.gz KAWMRIMPSQFWRH-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCC2)C1 ZINC001132441066 812855875 /nfs/dbraw/zinc/85/58/75/812855875.db2.gz KAWMRIMPSQFWRH-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CO[C@@H]1CCC[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)C1 ZINC001172946655 815557758 /nfs/dbraw/zinc/55/77/58/815557758.db2.gz VBVZKPFOVVKOAB-ZIAGYGMSSA-N 2 1 263.385 2.480 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC(CC)CC)C1 ZINC001132739850 812935165 /nfs/dbraw/zinc/93/51/65/812935165.db2.gz WPCONKSSYJAMOW-MRXNPFEDSA-N 2 1 297.487 2.250 20 0 CEADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC001255270303 813029783 /nfs/dbraw/zinc/02/97/83/813029783.db2.gz BKTNGQQFODLXGS-CQSZACIVSA-N 2 1 277.437 2.454 20 0 CEADMP CC[NH+](CC)C1CCC(n2c[nH+]cc2CC[NH3+])CC1 ZINC001173102627 815580706 /nfs/dbraw/zinc/58/07/06/815580706.db2.gz AVRHPROPYMQLHY-UHFFFAOYSA-N 3 1 264.417 2.210 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@H]1CCC[NH2+]1 ZINC000382752668 813090787 /nfs/dbraw/zinc/09/07/87/813090787.db2.gz CZPZTTRTPZGFAZ-SJLPKXTDSA-N 2 1 287.451 2.335 20 0 CEADMP CCCOC1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC001173087302 815579830 /nfs/dbraw/zinc/57/98/30/815579830.db2.gz MLHWHCKMWCVXSK-UHFFFAOYSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)=CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000073471881 813295817 /nfs/dbraw/zinc/29/58/17/813295817.db2.gz IFXPVTICYZOQLR-OAHLLOKOSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608418 813298542 /nfs/dbraw/zinc/29/85/42/813298542.db2.gz VNWICJFDGCZJCT-LSDHHAIUSA-N 2 1 295.471 2.310 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCCCC[NH3+] ZINC000394314144 813375169 /nfs/dbraw/zinc/37/51/69/813375169.db2.gz BIPOADQOONYPQC-CVEARBPZSA-N 2 1 267.461 2.454 20 0 CEADMP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086733965 813437799 /nfs/dbraw/zinc/43/77/99/813437799.db2.gz MGRGGEUXKUHDRV-ARFHVFGLSA-N 2 1 295.471 2.001 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071735621 813473844 /nfs/dbraw/zinc/47/38/44/813473844.db2.gz PBIUUIHBVWHXOU-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC1 ZINC001135861449 813550917 /nfs/dbraw/zinc/55/09/17/813550917.db2.gz RCJPTHBDOXDQHG-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP CCC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001170868964 813567620 /nfs/dbraw/zinc/56/76/20/813567620.db2.gz XWHZGRNITHWEMF-INIZCTEOSA-N 2 1 291.439 2.185 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN(C)c1ccccc1 ZINC000396641525 813578452 /nfs/dbraw/zinc/57/84/52/813578452.db2.gz PFARLFHFOQORAF-HOCLYGCPSA-N 2 1 261.413 2.243 20 0 CEADMP CC[C@H](C)C[C@H](CC)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246089058 813678756 /nfs/dbraw/zinc/67/87/56/813678756.db2.gz OOJGZGUAGDATAF-HOTGVXAUSA-N 2 1 269.477 2.476 20 0 CEADMP CCCC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H](C)C2)CC[NH2+]1 ZINC001246098902 813688325 /nfs/dbraw/zinc/68/83/25/813688325.db2.gz KNFIPGFXUADBQV-QKPAOTATSA-N 3 1 267.461 2.132 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)C[NH2+]1 ZINC001246366692 813800351 /nfs/dbraw/zinc/80/03/51/813800351.db2.gz PSBLPPSLOUGONL-WMLDXEAASA-N 3 1 279.472 2.229 20 0 CEADMP CCC[C@@]1(C[NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)CCN1 ZINC001246458272 813835821 /nfs/dbraw/zinc/83/58/21/813835821.db2.gz XWWRGPMVGSIWSO-JYJNAYRXSA-N 2 1 265.445 2.031 20 0 CEADMP C[C@H]1C[N@@H+]([C@H]2COc3ccc(Cl)cc3C2)C[C@H]1C[NH3+] ZINC001246542507 813959573 /nfs/dbraw/zinc/95/95/73/813959573.db2.gz PRNVZLBIGULOSJ-ZKYQVNSYSA-N 2 1 280.799 2.170 20 0 CEADMP C[C@H]1C[N@H+]([C@H]2COc3ccc(Cl)cc3C2)C[C@H]1C[NH3+] ZINC001246542507 813959578 /nfs/dbraw/zinc/95/95/78/813959578.db2.gz PRNVZLBIGULOSJ-ZKYQVNSYSA-N 2 1 280.799 2.170 20 0 CEADMP C[N@H+](Cc1ccc2cc[nH]c2n1)CC1CC[NH+](C)CC1 ZINC001144177168 813973807 /nfs/dbraw/zinc/97/38/07/813973807.db2.gz JVPFROQTVZANHH-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP Cc1ccc(C[C@@H](C)[N@@H+](C)CCN2CC[NH+](C)CC2)cc1 ZINC001255791637 813991920 /nfs/dbraw/zinc/99/19/20/813991920.db2.gz DWKDFKPSKYQTLG-QGZVFWFLSA-N 2 1 289.467 2.105 20 0 CEADMP C[C@@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)CC[C@H]1C[NH3+] ZINC001246560228 814046378 /nfs/dbraw/zinc/04/63/78/814046378.db2.gz QAOYLSGKXNKURM-ZBFHGGJFSA-N 3 1 279.472 2.168 20 0 CEADMP C[C@@H]1CC[N@@H+](C2CCN(CC3CC3)CC2)CC[C@H]1C[NH3+] ZINC001246560228 814046385 /nfs/dbraw/zinc/04/63/85/814046385.db2.gz QAOYLSGKXNKURM-ZBFHGGJFSA-N 2 1 279.472 2.168 20 0 CEADMP C[C@@H]1CC[N@H+](C2CCN(CC3CC3)CC2)CC[C@H]1C[NH3+] ZINC001246560228 814046393 /nfs/dbraw/zinc/04/63/93/814046393.db2.gz QAOYLSGKXNKURM-ZBFHGGJFSA-N 2 1 279.472 2.168 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001255957946 814062240 /nfs/dbraw/zinc/06/22/40/814062240.db2.gz XHINCGPCUREYDB-OLZOCXBDSA-N 2 1 296.377 2.354 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001255957946 814062248 /nfs/dbraw/zinc/06/22/48/814062248.db2.gz XHINCGPCUREYDB-OLZOCXBDSA-N 2 1 296.377 2.354 20 0 CEADMP C[N@H+]1CCCC[C@H]1c1ccc(NCC(C)(C)[NH3+])nc1 ZINC001171191329 814082976 /nfs/dbraw/zinc/08/29/76/814082976.db2.gz PDZJSCUIMLYRPJ-ZDUSSCGKSA-N 2 1 262.401 2.388 20 0 CEADMP CC[NH+](CC)[C@H]1CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144624664 814126623 /nfs/dbraw/zinc/12/66/23/814126623.db2.gz PDRSIEBFUPCZIW-AWEZNQCLSA-N 2 1 272.396 2.250 20 0 CEADMP CCN(CCC[NH+](C)C)Cc1[nH+]cn2ccccc12 ZINC001144626823 814127580 /nfs/dbraw/zinc/12/75/80/814127580.db2.gz CYVXEZJVHQPWRH-UHFFFAOYSA-N 2 1 260.385 2.108 20 0 CEADMP CC[C@@H](C)C[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001100456913 814130908 /nfs/dbraw/zinc/13/09/08/814130908.db2.gz IJRCMRPAEJABGK-WLYUNCDWSA-N 2 1 297.487 2.247 20 0 CEADMP CC(C)OC1CCC([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246592925 814184514 /nfs/dbraw/zinc/18/45/14/814184514.db2.gz WEBLVOVYYBRZDE-WUCCLRPBSA-N 2 1 272.408 2.484 20 0 CEADMP CC(C)OC1CCC([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246592925 814184518 /nfs/dbraw/zinc/18/45/18/814184518.db2.gz WEBLVOVYYBRZDE-WUCCLRPBSA-N 2 1 272.408 2.484 20 0 CEADMP C1CC2(C[C@@H]1[N@H+]1CC[C@]3(C1)CCCC[NH2+]3)CC[NH2+]CC2 ZINC001246618550 814217446 /nfs/dbraw/zinc/21/74/46/814217446.db2.gz GKNCRLOCJBBWOT-WBVHZDCISA-N 3 1 277.456 2.127 20 0 CEADMP C1CC2(C[C@@H]1N1CC[C@]3(C1)CCCC[NH2+]3)CC[NH2+]CC2 ZINC001246618550 814217451 /nfs/dbraw/zinc/21/74/51/814217451.db2.gz GKNCRLOCJBBWOT-WBVHZDCISA-N 2 1 277.456 2.127 20 0 CEADMP C1CC2(C[C@@H]1[N@@H+]1CC[C@]3(C1)CCCCN3)CC[NH2+]CC2 ZINC001246618550 814217458 /nfs/dbraw/zinc/21/74/58/814217458.db2.gz GKNCRLOCJBBWOT-WBVHZDCISA-N 2 1 277.456 2.127 20 0 CEADMP C1CC2(C[C@@H]1[N@H+]1CC[C@]3(C1)CCCCN3)CC[NH2+]CC2 ZINC001246618550 814217465 /nfs/dbraw/zinc/21/74/65/814217465.db2.gz GKNCRLOCJBBWOT-WBVHZDCISA-N 2 1 277.456 2.127 20 0 CEADMP C1C[NH2+]C2(C1)CC[NH+]([C@H]1CCC3(C1)CC[NH2+]CC3)CC2 ZINC001246627053 814225743 /nfs/dbraw/zinc/22/57/43/814225743.db2.gz WXCLYRLNQFRYTG-HNNXBMFYSA-N 3 1 277.456 2.127 20 0 CEADMP CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102071068 814358683 /nfs/dbraw/zinc/35/86/83/814358683.db2.gz BGQNIHILCYWWPW-OAGGEKHMSA-N 2 1 297.487 2.057 20 0 CEADMP C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246911189 814384604 /nfs/dbraw/zinc/38/46/04/814384604.db2.gz PDCZIWKKZMZNLY-ZQDZILKHSA-N 3 1 267.461 2.355 20 0 CEADMP CC(C)O[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000697027782 814644869 /nfs/dbraw/zinc/64/48/69/814644869.db2.gz IOJWGUHBQFJBOI-GJZGRUSLSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1ccc(-c2noc([C@H]([NH3+])CCC[NH3+])n2)c(C)c1 ZINC001247510158 814684622 /nfs/dbraw/zinc/68/46/22/814684622.db2.gz YKGPNHYWLYHDGX-GFCCVEGCSA-N 2 1 260.341 2.092 20 0 CEADMP CC[C@@H]([NH2+]C1CCC([NH+](CC)CC)CC1)C(=O)OC ZINC001173105380 815581569 /nfs/dbraw/zinc/58/15/69/815581569.db2.gz SADIJXGEJNCJMJ-JXQTWKCFSA-N 2 1 270.417 2.181 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC001173110528 815582621 /nfs/dbraw/zinc/58/26/21/815582621.db2.gz VDOCSKGLTJLLED-OFLPRAFFSA-N 2 1 296.455 2.131 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](CO)C2)CC1 ZINC001173108005 815582802 /nfs/dbraw/zinc/58/28/02/815582802.db2.gz AYDQRVNUCZNDJB-QQFBHYJXSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](CC)C1CCC(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001173113626 815584022 /nfs/dbraw/zinc/58/40/22/815584022.db2.gz YDYKYWIGFPURLQ-UCUFBTAOSA-N 2 1 279.472 2.418 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC001173113626 815584025 /nfs/dbraw/zinc/58/40/25/815584025.db2.gz YDYKYWIGFPURLQ-UCUFBTAOSA-N 2 1 279.472 2.418 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC001173113626 815584027 /nfs/dbraw/zinc/58/40/27/815584027.db2.gz YDYKYWIGFPURLQ-UCUFBTAOSA-N 2 1 279.472 2.418 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC000712462455 814748164 /nfs/dbraw/zinc/74/81/64/814748164.db2.gz HRQPBBJREWTVRM-KKUMJFAQSA-N 2 1 264.413 2.149 20 0 CEADMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCc2ncsc2C1 ZINC001173121393 815586544 /nfs/dbraw/zinc/58/65/44/815586544.db2.gz OJGKFWJHMUNTSO-NSHDSACASA-N 2 1 253.415 2.060 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000712483780 814749487 /nfs/dbraw/zinc/74/94/87/814749487.db2.gz DAKFVXCPWGNLMR-CYBMUJFWSA-N 2 1 252.402 2.162 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000712483780 814749496 /nfs/dbraw/zinc/74/94/96/814749496.db2.gz DAKFVXCPWGNLMR-CYBMUJFWSA-N 2 1 252.402 2.162 20 0 CEADMP [NH3+][C@H]1CCCCC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712485185 814749779 /nfs/dbraw/zinc/74/97/79/814749779.db2.gz LDRUORWTMHKGQG-KBPBESRZSA-N 2 1 252.402 2.291 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712485185 814749784 /nfs/dbraw/zinc/74/97/84/814749784.db2.gz LDRUORWTMHKGQG-KBPBESRZSA-N 2 1 252.402 2.291 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCC4)O3)C[C@H]21 ZINC000712462562 814750345 /nfs/dbraw/zinc/75/03/45/814750345.db2.gz IVVHJYBMKANGJG-LXTVHRRPSA-N 2 1 264.413 2.147 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCC3(CCC3)O2)C[C@H]1C(F)(F)F ZINC000712485324 814750354 /nfs/dbraw/zinc/75/03/54/814750354.db2.gz MQZAYQLZQCJCEE-IJLUTSLNSA-N 2 1 292.345 2.157 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)O2)C[C@H]1C(F)(F)F ZINC000712485324 814750356 /nfs/dbraw/zinc/75/03/56/814750356.db2.gz MQZAYQLZQCJCEE-IJLUTSLNSA-N 2 1 292.345 2.157 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@H]1CCc2ncsc2C1 ZINC001173122284 815586959 /nfs/dbraw/zinc/58/69/59/815586959.db2.gz WWWNRYKTWDCVIL-NSHDSACASA-N 2 1 253.415 2.061 20 0 CEADMP C([C@@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713244496 814848144 /nfs/dbraw/zinc/84/81/44/814848144.db2.gz UNHMRQWDUDUHPQ-ILXRZTDVSA-N 2 1 264.413 2.162 20 0 CEADMP C([C@@H]1C[C@H]2CCC[C@@H]2O1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713244496 814848148 /nfs/dbraw/zinc/84/81/48/814848148.db2.gz UNHMRQWDUDUHPQ-ILXRZTDVSA-N 2 1 264.413 2.162 20 0 CEADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC001116918311 814892067 /nfs/dbraw/zinc/89/20/67/814892067.db2.gz XEMURSBSKBYUKP-KFWWJZLASA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)O1 ZINC000714380601 814893801 /nfs/dbraw/zinc/89/38/01/814893801.db2.gz JDZIPQMHQRSBEC-XGUBFFRZSA-N 2 1 266.429 2.393 20 0 CEADMP CC1(C)CCC[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)O1 ZINC000714330444 814894781 /nfs/dbraw/zinc/89/47/81/814894781.db2.gz KSGVFLFYMMJUMJ-DZKIICNBSA-N 2 1 266.429 2.395 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1COc2cccc(OC)c2C1 ZINC001173149508 815607119 /nfs/dbraw/zinc/60/71/19/815607119.db2.gz UHHOWSGTQQGQRW-ZDUSSCGKSA-N 2 1 278.396 2.060 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3c(c2)NCCC3)CC[C@@H]1F ZINC001206196857 815640764 /nfs/dbraw/zinc/64/07/64/815640764.db2.gz DXDFYAOLLDISQI-GJZGRUSLSA-N 2 1 277.387 2.306 20 0 CEADMP CCc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC001173240471 815649237 /nfs/dbraw/zinc/64/92/37/815649237.db2.gz BLAJLQPHAPCDFG-OAHLLOKOSA-N 2 1 290.451 2.226 20 0 CEADMP CC[N@H+]1CC[C@H](N2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)C1 ZINC001173370590 815707923 /nfs/dbraw/zinc/70/79/23/815707923.db2.gz ISGGZXKHRGCMRM-BBWFWOEESA-N 2 1 279.472 2.419 20 0 CEADMP CC[NH+]1CC[C@H](N2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)C1 ZINC001173370590 815707926 /nfs/dbraw/zinc/70/79/26/815707926.db2.gz ISGGZXKHRGCMRM-BBWFWOEESA-N 2 1 279.472 2.419 20 0 CEADMP CC[NH+]1CC[C@H](N2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)C1 ZINC001173370590 815707932 /nfs/dbraw/zinc/70/79/32/815707932.db2.gz ISGGZXKHRGCMRM-BBWFWOEESA-N 2 1 279.472 2.419 20 0 CEADMP COC(=O)CCCC[C@@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001173449809 815733631 /nfs/dbraw/zinc/73/36/31/815733631.db2.gz WERRWVWEXOSFJP-GFCCVEGCSA-N 2 1 267.373 2.069 20 0 CEADMP CCOC(=O)[C@H]1CC12CCC([NH2+]C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001173598462 815757284 /nfs/dbraw/zinc/75/72/84/815757284.db2.gz FSAUOUFSDHNHCL-UJEKJILKSA-N 2 1 294.439 2.040 20 0 CEADMP C[NH+](C)CCC[N@H+](C)Cc1cccc2nccnc12 ZINC001138298776 815760842 /nfs/dbraw/zinc/76/08/42/815760842.db2.gz CHXKUYKXMWLDBS-UHFFFAOYSA-N 2 1 258.369 2.013 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)Cc1cccc2nccnc12 ZINC001138298776 815760846 /nfs/dbraw/zinc/76/08/46/815760846.db2.gz CHXKUYKXMWLDBS-UHFFFAOYSA-N 2 1 258.369 2.013 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](CCC[NH3+])C(C)C)C1 ZINC001173622447 815765130 /nfs/dbraw/zinc/76/51/30/815765130.db2.gz KZBNQSPEONEIHB-KBPBESRZSA-N 2 1 270.417 2.168 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001173623889 815767096 /nfs/dbraw/zinc/76/70/96/815767096.db2.gz WHYPLJZCPYDIHJ-ARFHVFGLSA-N 2 1 296.455 2.430 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](CC)CCC[NH+](C)C)C1 ZINC001173650625 815791880 /nfs/dbraw/zinc/79/18/80/815791880.db2.gz BEWAZSZLSXYKFZ-HUUCEWRRSA-N 2 1 284.444 2.382 20 0 CEADMP COC(=O)c1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC001173707150 815799228 /nfs/dbraw/zinc/79/92/28/815799228.db2.gz XNXJUPATJBWEGC-CYBMUJFWSA-N 2 1 290.407 2.088 20 0 CEADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(N(C)C)s3)C[C@@H]2C1 ZINC001138495126 815816324 /nfs/dbraw/zinc/81/63/24/815816324.db2.gz SEHNBZNDENQLRB-STQMWFEESA-N 2 1 279.453 2.198 20 0 CEADMP COC(=O)[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138544065 815822815 /nfs/dbraw/zinc/82/28/15/815822815.db2.gz BLURZFRNPSMLEL-HNNXBMFYSA-N 2 1 299.374 2.176 20 0 CEADMP COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138544065 815822823 /nfs/dbraw/zinc/82/28/23/815822823.db2.gz BLURZFRNPSMLEL-HNNXBMFYSA-N 2 1 299.374 2.176 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@](C)(O)C2)cc1 ZINC001138544458 815823485 /nfs/dbraw/zinc/82/34/85/815823485.db2.gz IVXYWCYLQPELJE-MRXNPFEDSA-N 2 1 271.364 2.137 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@](C)(O)C2)cc1 ZINC001138544458 815823491 /nfs/dbraw/zinc/82/34/91/815823491.db2.gz IVXYWCYLQPELJE-MRXNPFEDSA-N 2 1 271.364 2.137 20 0 CEADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc2occc2c1 ZINC001138825242 815910572 /nfs/dbraw/zinc/91/05/72/815910572.db2.gz PEFNUZSYKYSVOC-UHFFFAOYSA-N 2 1 287.407 2.112 20 0 CEADMP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175265496 816165587 /nfs/dbraw/zinc/16/55/87/816165587.db2.gz YSEHRLQBHDWFSN-CVEARBPZSA-N 2 1 297.487 2.249 20 0 CEADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001140030151 816170170 /nfs/dbraw/zinc/17/01/70/816170170.db2.gz XEJVZUUZZLRMIG-MRXNPFEDSA-N 2 1 282.391 2.071 20 0 CEADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@H+]2CC[C@@H]2C1 ZINC001140030151 816170174 /nfs/dbraw/zinc/17/01/74/816170174.db2.gz XEJVZUUZZLRMIG-MRXNPFEDSA-N 2 1 282.391 2.071 20 0 CEADMP COC(=O)CC[N@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140027249 816170633 /nfs/dbraw/zinc/17/06/33/816170633.db2.gz DYFFUJBCDUMEQZ-UHFFFAOYSA-N 2 1 287.363 2.176 20 0 CEADMP COC(=O)CC[N@@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140027249 816170635 /nfs/dbraw/zinc/17/06/35/816170635.db2.gz DYFFUJBCDUMEQZ-UHFFFAOYSA-N 2 1 287.363 2.176 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001140802409 816364635 /nfs/dbraw/zinc/36/46/35/816364635.db2.gz UZYKAXORBPYYHL-HNNXBMFYSA-N 2 1 257.337 2.318 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001140802409 816364642 /nfs/dbraw/zinc/36/46/42/816364642.db2.gz UZYKAXORBPYYHL-HNNXBMFYSA-N 2 1 257.337 2.318 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]C(C)C ZINC001176267331 816385529 /nfs/dbraw/zinc/38/55/29/816385529.db2.gz BCVVWJCBZOOXGV-OAHLLOKOSA-N 2 1 285.476 2.391 20 0 CEADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](F)C2)CC1 ZINC001140970954 816427920 /nfs/dbraw/zinc/42/79/20/816427920.db2.gz ARUWBRPAOYXJTF-INIZCTEOSA-N 2 1 291.414 2.372 20 0 CEADMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc3c(c2)CCCN3)C1 ZINC001206277337 816439139 /nfs/dbraw/zinc/43/91/39/816439139.db2.gz RVQXLLJDXTWDGS-CYBMUJFWSA-N 2 1 259.397 2.086 20 0 CEADMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc3c(c2)CCCN3)C1 ZINC001206277337 816439143 /nfs/dbraw/zinc/43/91/43/816439143.db2.gz RVQXLLJDXTWDGS-CYBMUJFWSA-N 2 1 259.397 2.086 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001176975009 816502392 /nfs/dbraw/zinc/50/23/92/816502392.db2.gz HAFXLGQSRJYVCJ-UHFFFAOYSA-N 2 1 295.471 2.003 20 0 CEADMP CC[C@H](C)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176987002 816502715 /nfs/dbraw/zinc/50/27/15/816502715.db2.gz YYJDHLSOFNQUSA-LSDHHAIUSA-N 2 1 283.460 2.003 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001178472535 816750069 /nfs/dbraw/zinc/75/00/69/816750069.db2.gz XYAXYZJIGWIKFS-OAHLLOKOSA-N 2 1 283.460 2.145 20 0 CEADMP COC1CCC(C[N@H+]2CCCC[C@@](F)(CN)C2)CC1 ZINC001206335302 816769486 /nfs/dbraw/zinc/76/94/86/816769486.db2.gz DREATUWDNYOFEA-YMAMQOFZSA-N 2 1 272.408 2.345 20 0 CEADMP COC1CCC(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001206335302 816769489 /nfs/dbraw/zinc/76/94/89/816769489.db2.gz DREATUWDNYOFEA-YMAMQOFZSA-N 2 1 272.408 2.345 20 0 CEADMP COC1CCC(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001206335302 816769491 /nfs/dbraw/zinc/76/94/91/816769491.db2.gz DREATUWDNYOFEA-YMAMQOFZSA-N 2 1 272.408 2.345 20 0 CEADMP CC(C)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178705562 816788254 /nfs/dbraw/zinc/78/82/54/816788254.db2.gz SGLCKYZBYCYYKK-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001178811091 816797314 /nfs/dbraw/zinc/79/73/14/816797314.db2.gz QGZHSZYTGKAZIO-HOTGVXAUSA-N 2 1 295.471 2.289 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001178853651 816804464 /nfs/dbraw/zinc/80/44/64/816804464.db2.gz MQOPULCFCLWSCD-UHFFFAOYSA-N 2 1 271.449 2.003 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccsc1 ZINC001161226684 816817601 /nfs/dbraw/zinc/81/76/01/816817601.db2.gz MPPFUOAWHSVRLE-UHFFFAOYSA-N 2 1 297.468 2.074 20 0 CEADMP CCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001179534193 816870142 /nfs/dbraw/zinc/87/01/42/816870142.db2.gz AKXIYCJUZQCMEC-JYJNAYRXSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCCCC[NH2+]CC2CC2)C1 ZINC001179586445 816879788 /nfs/dbraw/zinc/87/97/88/816879788.db2.gz OSXGEIAUAOVKPX-OAHLLOKOSA-N 2 1 295.471 2.004 20 0 CEADMP CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179592729 816881476 /nfs/dbraw/zinc/88/14/76/816881476.db2.gz KRBFKXBQKHRYGA-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP C[C@@H](Nc1[nH+]cnc2[nH]ccc21)C1=CC[N@H+](C)CC1 ZINC000273033208 192025809 /nfs/dbraw/zinc/02/58/09/192025809.db2.gz VETCIVYJEOPDGY-SNVBAGLBSA-N 2 1 257.341 2.020 20 0 CEADMP C[C@@H](Nc1[nH+]cnc2[nH]ccc21)C1=CC[N@@H+](C)CC1 ZINC000273033208 192025812 /nfs/dbraw/zinc/02/58/12/192025812.db2.gz VETCIVYJEOPDGY-SNVBAGLBSA-N 2 1 257.341 2.020 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342146569 282091546 /nfs/dbraw/zinc/09/15/46/282091546.db2.gz TXEDQPSSKMKFQE-SOUVJXGZSA-N 2 1 284.407 2.202 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449091436 282097003 /nfs/dbraw/zinc/09/70/03/282097003.db2.gz JHBJXKZKSSJVNR-HNNXBMFYSA-N 2 1 266.429 2.146 20 0 CEADMP CCC[NH2+][C@@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000449098590 282099591 /nfs/dbraw/zinc/09/95/91/282099591.db2.gz KADPXYRXAZSEIR-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+]2CCC[C@H]2C1 ZINC000336323197 365555636 /nfs/dbraw/zinc/55/56/36/365555636.db2.gz LUVHWVQKUHJEFM-HOTGVXAUSA-N 2 1 265.445 2.029 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000336323197 365555641 /nfs/dbraw/zinc/55/56/41/365555641.db2.gz LUVHWVQKUHJEFM-HOTGVXAUSA-N 2 1 265.445 2.029 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000336323197 365555647 /nfs/dbraw/zinc/55/56/47/365555647.db2.gz LUVHWVQKUHJEFM-HOTGVXAUSA-N 2 1 265.445 2.029 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)sc1C ZINC000127737749 187330486 /nfs/dbraw/zinc/33/04/86/187330486.db2.gz PFKJTZYYWNKHGL-GXFFZTMASA-N 2 1 267.442 2.232 20 0 CEADMP c1c[nH]c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000121599587 365592293 /nfs/dbraw/zinc/59/22/93/365592293.db2.gz GJGJCUGTEWSZOC-UHFFFAOYSA-N 2 1 276.428 2.498 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC(C)(C)C)[NH2+]C)C1 ZINC000449141355 282116535 /nfs/dbraw/zinc/11/65/35/282116535.db2.gz PWZXJYGKCWSGLB-CABCVRRESA-N 2 1 297.487 2.201 20 0 CEADMP CCOc1cncc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000621360346 349576704 /nfs/dbraw/zinc/57/67/04/349576704.db2.gz SZXVRJBVERZMHS-UHFFFAOYSA-N 2 1 277.412 2.444 20 0 CEADMP CCn1nnc(C)c1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000449200160 282139647 /nfs/dbraw/zinc/13/96/47/282139647.db2.gz BBURNWFUOFMYER-OAHLLOKOSA-N 2 1 293.459 2.064 20 0 CEADMP CCn1nnc(C)c1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000449200160 282139650 /nfs/dbraw/zinc/13/96/50/282139650.db2.gz BBURNWFUOFMYER-OAHLLOKOSA-N 2 1 293.459 2.064 20 0 CEADMP [NH3+]C1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000036754086 361854549 /nfs/dbraw/zinc/85/45/49/361854549.db2.gz HBSMQYAJIXWHSZ-UHFFFAOYSA-N 2 1 292.408 2.154 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000036908043 361870103 /nfs/dbraw/zinc/87/01/03/361870103.db2.gz RNJWHBAPBPZTOA-NFAWXSAZSA-N 2 1 290.407 2.276 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000036908043 361870105 /nfs/dbraw/zinc/87/01/05/361870105.db2.gz RNJWHBAPBPZTOA-NFAWXSAZSA-N 2 1 290.407 2.276 20 0 CEADMP CC(C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000037692216 361923159 /nfs/dbraw/zinc/92/31/59/361923159.db2.gz QUIAOAONYKEVDE-UHFFFAOYSA-N 2 1 262.397 2.012 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCN(C)c2ccccc2)CC[N@H+]1C ZINC000125866127 187203262 /nfs/dbraw/zinc/20/32/62/187203262.db2.gz RNCYNAROVPVWBF-HUUCEWRRSA-N 2 1 261.413 2.195 20 0 CEADMP CCn1ccnc1[C@H](C)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000412396425 529593840 /nfs/dbraw/zinc/59/38/40/529593840.db2.gz ICDQUTLJHMDINR-KBPBESRZSA-N 2 1 292.427 2.345 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)(C)C)[NH2+]C)C[C@@H]1C ZINC000449365984 282202290 /nfs/dbraw/zinc/20/22/90/282202290.db2.gz QOALTJALZVAQMX-KKUMJFAQSA-N 2 1 297.487 2.342 20 0 CEADMP Cc1ccc(CCC[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000622003775 349763728 /nfs/dbraw/zinc/76/37/28/349763728.db2.gz FTAKHIYAIWNEQP-CVEARBPZSA-N 2 1 259.397 2.136 20 0 CEADMP Cc1ccc(CCC[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000622003775 349763731 /nfs/dbraw/zinc/76/37/31/349763731.db2.gz FTAKHIYAIWNEQP-CVEARBPZSA-N 2 1 259.397 2.136 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(O)cc3)CC[C@@H]21 ZINC000131457866 539260956 /nfs/dbraw/zinc/26/09/56/539260956.db2.gz VAKUSYHNCIUERU-ZBFHGGJFSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(O)cc3)CC[C@@H]21 ZINC000131457866 539260958 /nfs/dbraw/zinc/26/09/58/539260958.db2.gz VAKUSYHNCIUERU-ZBFHGGJFSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(O)cc3)CC[C@@H]21 ZINC000131457866 539260960 /nfs/dbraw/zinc/26/09/60/539260960.db2.gz VAKUSYHNCIUERU-ZBFHGGJFSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H]1CCC(C)(C)O1 ZINC000360118062 282211013 /nfs/dbraw/zinc/21/10/13/282211013.db2.gz ZMMDFNJWOLRHAZ-QKPAOTATSA-N 2 1 296.455 2.128 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000622096805 349787898 /nfs/dbraw/zinc/78/78/98/349787898.db2.gz CCISNYUNXVRNOY-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CO[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000132901321 539270737 /nfs/dbraw/zinc/27/07/37/539270737.db2.gz LGKOTPZLURMFOO-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)OC ZINC000449404547 282222697 /nfs/dbraw/zinc/22/26/97/282222697.db2.gz VBUGXJHYTGTSNC-AJNGGQMLSA-N 2 1 256.434 2.367 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000273159274 192061077 /nfs/dbraw/zinc/06/10/77/192061077.db2.gz ZACUCSZTRZKPTE-CABCVRRESA-N 2 1 282.815 2.447 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000273159274 192061079 /nfs/dbraw/zinc/06/10/79/192061079.db2.gz ZACUCSZTRZKPTE-CABCVRRESA-N 2 1 282.815 2.447 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000622136543 349801325 /nfs/dbraw/zinc/80/13/25/349801325.db2.gz IGXQBHQHFHDCTM-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000622136543 349801327 /nfs/dbraw/zinc/80/13/27/349801327.db2.gz IGXQBHQHFHDCTM-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000622136543 349801330 /nfs/dbraw/zinc/80/13/30/349801330.db2.gz IGXQBHQHFHDCTM-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000126681609 187255092 /nfs/dbraw/zinc/25/50/92/187255092.db2.gz GUICNEJKZHNGTA-DZGCQCFKSA-N 2 1 274.408 2.397 20 0 CEADMP Cc1cc(N(C)[C@H](C)C2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000436425877 539302123 /nfs/dbraw/zinc/30/21/23/539302123.db2.gz AYOCZXDXTQJGFJ-GFCCVEGCSA-N 2 1 262.401 2.260 20 0 CEADMP CC[N@@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C)n2)C[C@H]1C ZINC000436436512 539302245 /nfs/dbraw/zinc/30/22/45/539302245.db2.gz JTRJHBTTXGAQNK-TZMCWYRMSA-N 2 1 262.401 2.402 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)c2cc(C)[nH+]c(C)n2)C[C@H]1C ZINC000436436512 539302246 /nfs/dbraw/zinc/30/22/46/539302246.db2.gz JTRJHBTTXGAQNK-TZMCWYRMSA-N 2 1 262.401 2.402 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CO)CC1 ZINC000675925640 539308163 /nfs/dbraw/zinc/30/81/63/539308163.db2.gz KWPIDRNGNYYROL-NVXWUHKLSA-N 2 1 288.435 2.259 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC000351226049 219084785 /nfs/dbraw/zinc/08/47/85/219084785.db2.gz MDBRLOLDGNQBDK-MRXNPFEDSA-N 2 1 278.444 2.109 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC000351226049 219084787 /nfs/dbraw/zinc/08/47/87/219084787.db2.gz MDBRLOLDGNQBDK-MRXNPFEDSA-N 2 1 278.444 2.109 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2cnn(CC)c2)C1 ZINC000351226049 219084789 /nfs/dbraw/zinc/08/47/89/219084789.db2.gz MDBRLOLDGNQBDK-MRXNPFEDSA-N 2 1 278.444 2.109 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2cnn(CC)c2)C1 ZINC000351226049 219084790 /nfs/dbraw/zinc/08/47/90/219084790.db2.gz MDBRLOLDGNQBDK-MRXNPFEDSA-N 2 1 278.444 2.109 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc(C)c1O ZINC000044533876 343473716 /nfs/dbraw/zinc/47/37/16/343473716.db2.gz MUIHYVNRYCYIOT-CQSZACIVSA-N 2 1 262.397 2.440 20 0 CEADMP Cc1cccc(N2CCC(OCCC[NH+](C)C)CC2)[nH+]1 ZINC000157858527 136396337 /nfs/dbraw/zinc/39/63/37/136396337.db2.gz HEAUQLYTHWPHTL-UHFFFAOYSA-N 2 1 277.412 2.327 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000336708229 365774294 /nfs/dbraw/zinc/77/42/94/365774294.db2.gz JRQBTEZUQHWTPK-INIZCTEOSA-N 2 1 262.397 2.135 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cnccn3)CC2)[nH+]1 ZINC000128141900 365777823 /nfs/dbraw/zinc/77/78/23/365777823.db2.gz VMAHJMUWDFWTCS-AWEZNQCLSA-N 2 1 297.406 2.500 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000063466179 343677567 /nfs/dbraw/zinc/67/75/67/343677567.db2.gz SIQXFAMEJIJSGL-UHFFFAOYSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[NH+](C)CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000063466179 343677569 /nfs/dbraw/zinc/67/75/69/343677569.db2.gz SIQXFAMEJIJSGL-UHFFFAOYSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[NH+](C)CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000063466179 343677571 /nfs/dbraw/zinc/67/75/71/343677571.db2.gz SIQXFAMEJIJSGL-UHFFFAOYSA-N 2 1 283.460 2.097 20 0 CEADMP COC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072869097 343813681 /nfs/dbraw/zinc/81/36/81/343813681.db2.gz KFKNABNNGBITKS-WBVHZDCISA-N 2 1 276.424 2.475 20 0 CEADMP COC[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072869097 343813683 /nfs/dbraw/zinc/81/36/83/343813683.db2.gz KFKNABNNGBITKS-WBVHZDCISA-N 2 1 276.424 2.475 20 0 CEADMP COC[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072869097 343813685 /nfs/dbraw/zinc/81/36/85/343813685.db2.gz KFKNABNNGBITKS-WBVHZDCISA-N 2 1 276.424 2.475 20 0 CEADMP CC(C)[NH2+]C1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351529936 219116792 /nfs/dbraw/zinc/11/67/92/219116792.db2.gz GZIAIQCUMFDHIE-INIZCTEOSA-N 2 1 267.461 2.323 20 0 CEADMP C[N@@H+](CCCn1ccnc1)CCC[NH+]1CCCCC1 ZINC000162136487 529899274 /nfs/dbraw/zinc/89/92/74/529899274.db2.gz PZZORKAZRUJLES-UHFFFAOYSA-N 2 1 264.417 2.081 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cc[nH+]c(N(C)C)n2)C1 ZINC000077190457 343909870 /nfs/dbraw/zinc/90/98/70/343909870.db2.gz KTCWSCBYJJDKIJ-OKILXGFUSA-N 2 1 291.443 2.323 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cc[nH+]c(N(C)C)n2)C1 ZINC000077190457 343909873 /nfs/dbraw/zinc/90/98/73/343909873.db2.gz KTCWSCBYJJDKIJ-OKILXGFUSA-N 2 1 291.443 2.323 20 0 CEADMP C[N@@H+](CCOCC[NH3+])CCc1cccc2ccccc21 ZINC000357090004 529922956 /nfs/dbraw/zinc/92/29/56/529922956.db2.gz QOPFYMPGNTVNRK-UHFFFAOYSA-N 2 1 272.392 2.289 20 0 CEADMP Cc1cccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)[nH+]1 ZINC000077316566 343916789 /nfs/dbraw/zinc/91/67/89/343916789.db2.gz WPDUHKUXMJVWKY-OAHLLOKOSA-N 2 1 275.396 2.445 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000090112287 344137261 /nfs/dbraw/zinc/13/72/61/344137261.db2.gz AKCKPNHKZGXXOO-ZIAGYGMSSA-N 2 1 284.469 2.115 20 0 CEADMP Clc1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000090409177 344138938 /nfs/dbraw/zinc/13/89/38/344138938.db2.gz MNKLGZUEPAHROF-UONOGXRCSA-N 2 1 295.814 2.330 20 0 CEADMP CCCOc1ccc(OCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107573277 344261123 /nfs/dbraw/zinc/26/11/23/344261123.db2.gz RCDYRXFFTRHFHV-HUUCEWRRSA-N 2 1 290.407 2.005 20 0 CEADMP Cc1ccc(C)c(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000111824610 344271950 /nfs/dbraw/zinc/27/19/50/344271950.db2.gz SXAXCWSMTLKYRE-QGZVFWFLSA-N 2 1 287.451 2.425 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC(=O)NC1CCCCC1 ZINC000128693267 365801215 /nfs/dbraw/zinc/80/12/15/365801215.db2.gz FTLUPTGNBUSJBG-YCPHGPKFSA-N 2 1 295.471 2.144 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH2+]C(C)C ZINC000166369381 344475969 /nfs/dbraw/zinc/47/59/69/344475969.db2.gz KXLJBDSAFFPYMR-OAHLLOKOSA-N 2 1 283.460 2.145 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)O[C@H](C)C2 ZINC000215962171 344534470 /nfs/dbraw/zinc/53/44/70/344534470.db2.gz WNWFNSDURVSMKQ-XQQFMLRXSA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(cc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)O[C@H](C)C2 ZINC000215962171 344534472 /nfs/dbraw/zinc/53/44/72/344534472.db2.gz WNWFNSDURVSMKQ-XQQFMLRXSA-N 2 1 290.407 2.188 20 0 CEADMP COC[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351601859 219140862 /nfs/dbraw/zinc/14/08/62/219140862.db2.gz XAYBBTLIHRTPBO-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351601859 219140863 /nfs/dbraw/zinc/14/08/63/219140863.db2.gz XAYBBTLIHRTPBO-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351601859 219140866 /nfs/dbraw/zinc/14/08/66/219140866.db2.gz XAYBBTLIHRTPBO-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)CC1CCCC1 ZINC000232129326 344576839 /nfs/dbraw/zinc/57/68/39/344576839.db2.gz VLHGHNIORGCNSZ-GDBMZVCRSA-N 2 1 266.429 2.002 20 0 CEADMP Cc1cc(C)cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000237110684 344599477 /nfs/dbraw/zinc/59/94/77/344599477.db2.gz NUNFZDUALQZNAG-UHFFFAOYSA-N 2 1 289.467 2.421 20 0 CEADMP CCC[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000053294837 362490499 /nfs/dbraw/zinc/49/04/99/362490499.db2.gz KMIMLFUTUPTZGY-UHFFFAOYSA-N 2 1 253.415 2.409 20 0 CEADMP CCC[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000053294837 362490504 /nfs/dbraw/zinc/49/05/04/362490504.db2.gz KMIMLFUTUPTZGY-UHFFFAOYSA-N 2 1 253.415 2.409 20 0 CEADMP CCc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000310303341 344730388 /nfs/dbraw/zinc/73/03/88/344730388.db2.gz UXGFEAWMGDELBF-NEPJUHHUSA-N 2 1 250.411 2.352 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000320695103 344752834 /nfs/dbraw/zinc/75/28/34/344752834.db2.gz RBRRSPPYIYCEBX-JHJVBQTASA-N 2 1 270.417 2.037 20 0 CEADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449759582 282357663 /nfs/dbraw/zinc/35/76/63/282357663.db2.gz YQPUWTYZZZPMSD-GBJTYRQASA-N 2 1 252.402 2.160 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)n(-c2cc[nH+]cc2)n1 ZINC000668113960 539419075 /nfs/dbraw/zinc/41/90/75/539419075.db2.gz FVNBNHLAOZUNLW-IAGOWNOFSA-N 2 1 298.390 2.411 20 0 CEADMP Cc1[nH+]ccn1CCCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000580295364 344952775 /nfs/dbraw/zinc/95/27/75/344952775.db2.gz QTLMGXXNIDOKSI-HOTGVXAUSA-N 2 1 276.428 2.188 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccn1 ZINC000584665721 344975446 /nfs/dbraw/zinc/97/54/46/344975446.db2.gz YCYRLJIRJJXHNF-KGLIPLIRSA-N 2 1 277.412 2.473 20 0 CEADMP CC[NH2+]CCCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584834064 344991399 /nfs/dbraw/zinc/99/13/99/344991399.db2.gz RGKRLVMTYBWLTJ-SJLPKXTDSA-N 2 1 289.467 2.486 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584834064 344991402 /nfs/dbraw/zinc/99/14/02/344991402.db2.gz RGKRLVMTYBWLTJ-SJLPKXTDSA-N 3 1 289.467 2.486 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584834064 344991404 /nfs/dbraw/zinc/99/14/04/344991404.db2.gz RGKRLVMTYBWLTJ-SJLPKXTDSA-N 3 1 289.467 2.486 20 0 CEADMP C[C@H]([N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000591373326 345245577 /nfs/dbraw/zinc/24/55/77/345245577.db2.gz PQFUANHQMIBJKC-ZDUSSCGKSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591866979 345289885 /nfs/dbraw/zinc/28/98/85/345289885.db2.gz LHPBHTONORIDPF-DZGCQCFKSA-N 2 1 292.427 2.213 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)N1CCC[C@@H](n2ccnc2)C1 ZINC000591866979 345289887 /nfs/dbraw/zinc/28/98/87/345289887.db2.gz LHPBHTONORIDPF-DZGCQCFKSA-N 2 1 292.427 2.213 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592425576 345351826 /nfs/dbraw/zinc/35/18/26/345351826.db2.gz JJEYLYLTINCGHA-ZIAGYGMSSA-N 2 1 282.428 2.040 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592491798 345360234 /nfs/dbraw/zinc/36/02/34/345360234.db2.gz IKLDNWMZGWWEHH-HZPDHXFCSA-N 2 1 296.455 2.431 20 0 CEADMP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000592493474 345360356 /nfs/dbraw/zinc/36/03/56/345360356.db2.gz QOBFPQBTUBNLAW-XHSDSOJGSA-N 2 1 294.439 2.040 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000593314785 345465514 /nfs/dbraw/zinc/46/55/14/345465514.db2.gz IGSXFRWYZFQGKX-LRDDRELGSA-N 2 1 292.379 2.017 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000593314785 345465516 /nfs/dbraw/zinc/46/55/16/345465516.db2.gz IGSXFRWYZFQGKX-LRDDRELGSA-N 2 1 292.379 2.017 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cn[nH]c1 ZINC000336786301 365805387 /nfs/dbraw/zinc/80/53/87/365805387.db2.gz HLNLWUNVLCIBNO-STQMWFEESA-N 2 1 250.390 2.325 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cn[nH]c1 ZINC000336786301 365805384 /nfs/dbraw/zinc/80/53/84/365805384.db2.gz HLNLWUNVLCIBNO-STQMWFEESA-N 2 1 250.390 2.325 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)[C@H]1SC ZINC000593644365 345516033 /nfs/dbraw/zinc/51/60/33/345516033.db2.gz CLONONPPAOODKE-RRFJBIMHSA-N 2 1 288.501 2.463 20 0 CEADMP C[C@@H](C[NH2+]Cc1cccc2c1OCCO2)C[NH+]1CCCC1 ZINC000058062684 362606466 /nfs/dbraw/zinc/60/64/66/362606466.db2.gz MPMVSPZJWGCUEZ-AWEZNQCLSA-N 2 1 290.407 2.279 20 0 CEADMP CCOC(=O)CC[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000594583464 345651483 /nfs/dbraw/zinc/65/14/83/345651483.db2.gz NOXBRXYAXMBNMI-KGLIPLIRSA-N 2 1 270.417 2.038 20 0 CEADMP C[C@@H](CSCCF)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000595007844 345725412 /nfs/dbraw/zinc/72/54/12/345725412.db2.gz PVLFSMSVFSCLOR-NWDGAFQWSA-N 2 1 260.422 2.152 20 0 CEADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000595447677 345784701 /nfs/dbraw/zinc/78/47/01/345784701.db2.gz IFMOAYNOSAXDKT-SOUVJXGZSA-N 2 1 288.501 2.341 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000336786650 365806250 /nfs/dbraw/zinc/80/62/50/365806250.db2.gz CIEFMZVKHWMDSR-QLFBSQMISA-N 3 1 255.450 2.214 20 0 CEADMP C[C@@H]1CC[C@H](C[N@@H+](CCC[NH3+])Cc2ccccc2)O1 ZINC000230004122 539501883 /nfs/dbraw/zinc/50/18/83/539501883.db2.gz YLCGXDKTKUTKME-GDBMZVCRSA-N 2 1 262.397 2.405 20 0 CEADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccs1 ZINC000128287396 187362259 /nfs/dbraw/zinc/36/22/59/187362259.db2.gz TZPXPIZKWUWTFI-AWEZNQCLSA-N 2 1 281.469 2.426 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)C1CC1 ZINC000336787440 365807269 /nfs/dbraw/zinc/80/72/69/365807269.db2.gz DZLRZQWGRWJCPQ-CYBMUJFWSA-N 2 1 256.434 2.246 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)C1CC1 ZINC000336787440 365807274 /nfs/dbraw/zinc/80/72/74/365807274.db2.gz DZLRZQWGRWJCPQ-CYBMUJFWSA-N 2 1 256.434 2.246 20 0 CEADMP COc1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000295123883 199358019 /nfs/dbraw/zinc/35/80/19/199358019.db2.gz XPZWEKOTDAUXOB-QWHCGFSZSA-N 2 1 295.814 2.460 20 0 CEADMP COc1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000295123883 199358021 /nfs/dbraw/zinc/35/80/21/199358021.db2.gz XPZWEKOTDAUXOB-QWHCGFSZSA-N 2 1 295.814 2.460 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459411545 290140807 /nfs/dbraw/zinc/14/08/07/290140807.db2.gz DQDJMSZIJYEGFH-AWEZNQCLSA-N 2 1 268.445 2.248 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000599025862 346448508 /nfs/dbraw/zinc/44/85/08/346448508.db2.gz SDDGRUVABBJNSX-SSHXOBKSSA-N 2 1 294.439 2.325 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)CC1(C)C ZINC000598981107 346441569 /nfs/dbraw/zinc/44/15/69/346441569.db2.gz MMEOCJUSBDSGRL-UMCXVIDHSA-N 2 1 286.485 2.139 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)CC1(C)C ZINC000598981107 346441574 /nfs/dbraw/zinc/44/15/74/346441574.db2.gz MMEOCJUSBDSGRL-UMCXVIDHSA-N 2 1 286.485 2.139 20 0 CEADMP C[C@H](O)C[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000336790864 365812190 /nfs/dbraw/zinc/81/21/90/365812190.db2.gz YMWUZRAYUHEFOM-RRFJBIMHSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](O)C[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000336790864 365812194 /nfs/dbraw/zinc/81/21/94/365812194.db2.gz YMWUZRAYUHEFOM-RRFJBIMHSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](O)C[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000336790864 365812195 /nfs/dbraw/zinc/81/21/95/365812195.db2.gz YMWUZRAYUHEFOM-RRFJBIMHSA-N 2 1 254.418 2.096 20 0 CEADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000063165795 362752932 /nfs/dbraw/zinc/75/29/32/362752932.db2.gz FIFIHUSZPKNCQO-UHFFFAOYSA-N 2 1 295.814 2.210 20 0 CEADMP CCOC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000336796581 365819883 /nfs/dbraw/zinc/81/98/83/365819883.db2.gz UIAIUJDAIPVRAC-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC(F)(F)F)C[C@H]1C ZINC000336799853 365829202 /nfs/dbraw/zinc/82/92/02/365829202.db2.gz KFKKYBJRHKHRHD-VXGBXAGGSA-N 2 1 282.350 2.370 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC(F)(F)F)C[C@H]1C ZINC000336799853 365829208 /nfs/dbraw/zinc/82/92/08/365829208.db2.gz KFKKYBJRHKHRHD-VXGBXAGGSA-N 2 1 282.350 2.370 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC(F)(F)F)C[C@H]1C ZINC000336799853 365829215 /nfs/dbraw/zinc/82/92/15/365829215.db2.gz KFKKYBJRHKHRHD-VXGBXAGGSA-N 2 1 282.350 2.370 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000336802157 365834693 /nfs/dbraw/zinc/83/46/93/365834693.db2.gz SRUUWJXRWLTECR-CYBMUJFWSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC(C)(C)[C@H]1C ZINC000336802157 365834699 /nfs/dbraw/zinc/83/46/99/365834699.db2.gz SRUUWJXRWLTECR-CYBMUJFWSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000336810563 365848373 /nfs/dbraw/zinc/84/83/73/365848373.db2.gz IKONEUMUNCJWRC-UKRRQHHQSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000336810563 365848374 /nfs/dbraw/zinc/84/83/74/365848374.db2.gz IKONEUMUNCJWRC-UKRRQHHQSA-N 2 1 265.401 2.207 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@@H]1CCOC1 ZINC000128447192 187371393 /nfs/dbraw/zinc/37/13/93/187371393.db2.gz OGINRFAPSTUEMQ-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336821328 365870108 /nfs/dbraw/zinc/87/01/08/365870108.db2.gz HKLZMBNYRCJBOJ-HZPDHXFCSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336821328 365870111 /nfs/dbraw/zinc/87/01/11/365870111.db2.gz HKLZMBNYRCJBOJ-HZPDHXFCSA-N 2 1 277.412 2.473 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC000336822850 365876419 /nfs/dbraw/zinc/87/64/19/365876419.db2.gz NFHAVRFSACVONV-IAGOWNOFSA-N 2 1 280.456 2.467 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)[nH]1 ZINC000602686950 347146586 /nfs/dbraw/zinc/14/65/86/347146586.db2.gz GNIOODXHLYWKFD-CYBMUJFWSA-N 2 1 293.411 2.013 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCN(C)c2ccccc2)C1 ZINC000085823969 179183580 /nfs/dbraw/zinc/18/35/80/179183580.db2.gz BUPSUMVLGQWNRY-INIZCTEOSA-N 2 1 275.440 2.396 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCN(C)c2ccccc2)C1 ZINC000085823969 179183581 /nfs/dbraw/zinc/18/35/81/179183581.db2.gz BUPSUMVLGQWNRY-INIZCTEOSA-N 2 1 275.440 2.396 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000085823969 179183583 /nfs/dbraw/zinc/18/35/83/179183583.db2.gz BUPSUMVLGQWNRY-INIZCTEOSA-N 2 1 275.440 2.396 20 0 CEADMP CC[C@@H](C(=O)OC)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109444 347288833 /nfs/dbraw/zinc/28/88/33/347288833.db2.gz BCQQIWKRXDVFGI-AWEZNQCLSA-N 2 1 270.417 2.136 20 0 CEADMP CC[C@@H](C(=O)OC)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109444 347288836 /nfs/dbraw/zinc/28/88/36/347288836.db2.gz BCQQIWKRXDVFGI-AWEZNQCLSA-N 2 1 270.417 2.136 20 0 CEADMP CC(C)n1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)nn1 ZINC000342078941 535060991 /nfs/dbraw/zinc/06/09/91/535060991.db2.gz FQPUQXSUMVSDFK-HNNXBMFYSA-N 2 1 293.459 2.461 20 0 CEADMP Cc1nccn1CC[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000336824495 365880458 /nfs/dbraw/zinc/88/04/58/365880458.db2.gz UYOYLMYJRMGLKM-CYBMUJFWSA-N 2 1 273.380 2.460 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000336824495 365880460 /nfs/dbraw/zinc/88/04/60/365880460.db2.gz UYOYLMYJRMGLKM-CYBMUJFWSA-N 2 1 273.380 2.460 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000336824495 365880463 /nfs/dbraw/zinc/88/04/63/365880463.db2.gz UYOYLMYJRMGLKM-CYBMUJFWSA-N 2 1 273.380 2.460 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000336825496 365885812 /nfs/dbraw/zinc/88/58/12/365885812.db2.gz YVCUCRZCYCKSFT-MRXNPFEDSA-N 2 1 278.444 2.244 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C)C[C@@H]1C(C)C ZINC000336825496 365885817 /nfs/dbraw/zinc/88/58/17/365885817.db2.gz YVCUCRZCYCKSFT-MRXNPFEDSA-N 2 1 278.444 2.244 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CC(C)(C)C1 ZINC000608056218 347558294 /nfs/dbraw/zinc/55/82/94/347558294.db2.gz GVQUXWSTXXSLIS-DZGCQCFKSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000351847707 219224587 /nfs/dbraw/zinc/22/45/87/219224587.db2.gz AVMJEHMVWNSNGN-ZIAGYGMSSA-N 2 1 254.418 2.395 20 0 CEADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000336831882 365897339 /nfs/dbraw/zinc/89/73/39/365897339.db2.gz RZERIDIWQFEXMV-SJORKVTESA-N 2 1 282.472 2.447 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000086595764 179310985 /nfs/dbraw/zinc/31/09/85/179310985.db2.gz PUJKVRCRTBIROQ-NSHDSACASA-N 2 1 254.761 2.129 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000086595764 179310988 /nfs/dbraw/zinc/31/09/88/179310988.db2.gz PUJKVRCRTBIROQ-NSHDSACASA-N 2 1 254.761 2.129 20 0 CEADMP Cc1nccn1CCC[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000336886102 365934718 /nfs/dbraw/zinc/93/47/18/365934718.db2.gz BNOHSHSKTIERDS-CABCVRRESA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000336886102 365934726 /nfs/dbraw/zinc/93/47/26/365934726.db2.gz BNOHSHSKTIERDS-CABCVRRESA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000336886102 365934732 /nfs/dbraw/zinc/93/47/32/365934732.db2.gz BNOHSHSKTIERDS-CABCVRRESA-N 2 1 265.401 2.065 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)CC[N@H+]1C ZINC000130361609 365948267 /nfs/dbraw/zinc/94/82/67/365948267.db2.gz AQSPMYAKBKOXGF-DOTOQJQBSA-N 2 1 298.434 2.487 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCC(F)(F)C3)C2)C1 ZINC000336268463 539605679 /nfs/dbraw/zinc/60/56/79/539605679.db2.gz RNIZGDUTXFTCMG-QWHCGFSZSA-N 2 1 258.356 2.449 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CCC(F)(F)C3)C2)C1 ZINC000336268463 539605683 /nfs/dbraw/zinc/60/56/83/539605683.db2.gz RNIZGDUTXFTCMG-QWHCGFSZSA-N 2 1 258.356 2.449 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CCC(F)(F)C3)C2)C1 ZINC000336268463 539605686 /nfs/dbraw/zinc/60/56/86/539605686.db2.gz RNIZGDUTXFTCMG-QWHCGFSZSA-N 2 1 258.356 2.449 20 0 CEADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CC[NH+]1CCCC[C@@H]1C ZINC000456376980 539632687 /nfs/dbraw/zinc/63/26/87/539632687.db2.gz LHEOGAVXYDWZHH-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000456376980 539632691 /nfs/dbraw/zinc/63/26/91/539632691.db2.gz LHEOGAVXYDWZHH-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000456376980 539632694 /nfs/dbraw/zinc/63/26/94/539632694.db2.gz LHEOGAVXYDWZHH-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000623362825 349999213 /nfs/dbraw/zinc/99/92/13/349999213.db2.gz METXYSMHDIYRBP-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000623362825 349999215 /nfs/dbraw/zinc/99/92/15/349999215.db2.gz METXYSMHDIYRBP-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000623362825 349999217 /nfs/dbraw/zinc/99/92/17/349999217.db2.gz METXYSMHDIYRBP-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616996577 348602618 /nfs/dbraw/zinc/60/26/18/348602618.db2.gz KYELXUFCTYBGFL-KFWWJZLASA-N 2 1 295.471 2.096 20 0 CEADMP C[N@@H+](CCN[C@H]1CC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339068746 539658950 /nfs/dbraw/zinc/65/89/50/539658950.db2.gz MSWBIPDMOISFNN-ROUUACIJSA-N 2 1 287.451 2.335 20 0 CEADMP C[NH+](CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339068746 539658955 /nfs/dbraw/zinc/65/89/55/539658955.db2.gz MSWBIPDMOISFNN-ROUUACIJSA-N 2 1 287.451 2.335 20 0 CEADMP C[NH+](CCN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339068746 539658960 /nfs/dbraw/zinc/65/89/60/539658960.db2.gz MSWBIPDMOISFNN-ROUUACIJSA-N 2 1 287.451 2.335 20 0 CEADMP CN(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339068746 539658965 /nfs/dbraw/zinc/65/89/65/539658965.db2.gz MSWBIPDMOISFNN-ROUUACIJSA-N 2 1 287.451 2.335 20 0 CEADMP CN(CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339068746 539658968 /nfs/dbraw/zinc/65/89/68/539658968.db2.gz MSWBIPDMOISFNN-ROUUACIJSA-N 2 1 287.451 2.335 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000339226739 539661837 /nfs/dbraw/zinc/66/18/37/539661837.db2.gz FFOLVLYNNTUKFR-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H](CCNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000617756237 348781589 /nfs/dbraw/zinc/78/15/89/348781589.db2.gz CJHUBRBFXHBZNV-AWEZNQCLSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCO1 ZINC000352040509 219300602 /nfs/dbraw/zinc/30/06/02/219300602.db2.gz PCFKCIYPBOOECF-FPCVCCKLSA-N 2 1 268.445 2.367 20 0 CEADMP C[N@H+]1CC[C@@H](NC2CC[NH+](C3CCC3)CC2)CC1(C)C ZINC000623381431 350005418 /nfs/dbraw/zinc/00/54/18/350005418.db2.gz SVCGCBASNVKXGA-OAHLLOKOSA-N 2 1 279.472 2.466 20 0 CEADMP C[N@H+]1CC[C@@H](NCC(=O)Nc2cccc(F)c2)CC1(C)C ZINC000623386544 350006045 /nfs/dbraw/zinc/00/60/45/350006045.db2.gz ZNLYHOARCCSVAK-CQSZACIVSA-N 2 1 293.386 2.227 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)N1CCCC[C@@H]1C ZINC000623395422 350008770 /nfs/dbraw/zinc/00/87/70/350008770.db2.gz KDNRVCKGTZFBGH-SOUVJXGZSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)N1CCCC[C@@H]1C ZINC000623395422 350008771 /nfs/dbraw/zinc/00/87/71/350008771.db2.gz KDNRVCKGTZFBGH-SOUVJXGZSA-N 2 1 295.471 2.238 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1C ZINC000623397952 350009605 /nfs/dbraw/zinc/00/96/05/350009605.db2.gz WKAODMQNLOWFNN-CQSZACIVSA-N 2 1 278.444 2.482 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000623397952 350009607 /nfs/dbraw/zinc/00/96/07/350009607.db2.gz WKAODMQNLOWFNN-CQSZACIVSA-N 2 1 278.444 2.482 20 0 CEADMP Cc1ncsc1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623406244 350010682 /nfs/dbraw/zinc/01/06/82/350010682.db2.gz QBOXMVXCDJPMNS-LLVKDONJSA-N 2 1 253.415 2.414 20 0 CEADMP Cc1ncsc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623406244 350010687 /nfs/dbraw/zinc/01/06/87/350010687.db2.gz QBOXMVXCDJPMNS-LLVKDONJSA-N 2 1 253.415 2.414 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCCOC1 ZINC000623487640 350032247 /nfs/dbraw/zinc/03/22/47/350032247.db2.gz LAWMEGXXQUGLAR-BFHYXJOUSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCCOC1 ZINC000623487641 350032268 /nfs/dbraw/zinc/03/22/68/350032268.db2.gz LAWMEGXXQUGLAR-IHRRRGAJSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623445324 350022904 /nfs/dbraw/zinc/02/29/04/350022904.db2.gz MCVWESKUFWUZBF-RBSFLKMASA-N 2 1 267.461 2.178 20 0 CEADMP CC(C)[NH+]1C[C@@H](C)[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623445324 350022905 /nfs/dbraw/zinc/02/29/05/350022905.db2.gz MCVWESKUFWUZBF-RBSFLKMASA-N 2 1 267.461 2.178 20 0 CEADMP CC(C)[NH+]1C[C@@H](C)[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623445324 350022908 /nfs/dbraw/zinc/02/29/08/350022908.db2.gz MCVWESKUFWUZBF-RBSFLKMASA-N 2 1 267.461 2.178 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000623449740 350023694 /nfs/dbraw/zinc/02/36/94/350023694.db2.gz JPUYMXMLWUPQIT-GXTWGEPZSA-N 2 1 254.418 2.264 20 0 CEADMP CO[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623483787 350031428 /nfs/dbraw/zinc/03/14/28/350031428.db2.gz RIDFVTJYSCUKRY-MELADBBJSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2-n2cncn2)C1 ZINC000623656612 350075925 /nfs/dbraw/zinc/07/59/25/350075925.db2.gz YKOFXQCTGJLLHX-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP Cc1ncsc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655852 350076265 /nfs/dbraw/zinc/07/62/65/350076265.db2.gz HJUPARDGQKHCET-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP Cc1ncsc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623655852 350076267 /nfs/dbraw/zinc/07/62/67/350076267.db2.gz HJUPARDGQKHCET-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP COC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCCC1 ZINC000623534238 350043175 /nfs/dbraw/zinc/04/31/75/350043175.db2.gz FCJOWLVIRUSOEU-ZDUSSCGKSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@]2(O)CCCOC2)CC1(C)C ZINC000623572503 350054616 /nfs/dbraw/zinc/05/46/16/350054616.db2.gz CAKCAEPZQSFIHH-YOEHRIQHSA-N 2 1 298.471 2.017 20 0 CEADMP COc1cc2c(c(CNC[C@H]3CCC[N@@H+]3C)c1)O[C@H](C)C2 ZINC000623634741 350072020 /nfs/dbraw/zinc/07/20/20/350072020.db2.gz YXPXYAFKOBQMRE-IUODEOHRSA-N 2 1 290.407 2.202 20 0 CEADMP COc1cc2c(c(CNC[C@H]3CCC[N@H+]3C)c1)O[C@H](C)C2 ZINC000623634741 350072022 /nfs/dbraw/zinc/07/20/22/350072022.db2.gz YXPXYAFKOBQMRE-IUODEOHRSA-N 2 1 290.407 2.202 20 0 CEADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC000090585326 180009519 /nfs/dbraw/zinc/00/95/19/180009519.db2.gz RPIYCIUVOMFJKE-HOCLYGCPSA-N 2 1 268.445 2.369 20 0 CEADMP CCC1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000090715025 180029174 /nfs/dbraw/zinc/02/91/74/180029174.db2.gz TWDYQAXQDWPMGU-FJBKBRRZSA-N 2 1 266.429 2.408 20 0 CEADMP CCC1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000090715025 180029176 /nfs/dbraw/zinc/02/91/76/180029176.db2.gz TWDYQAXQDWPMGU-FJBKBRRZSA-N 2 1 266.429 2.408 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000090720384 180029987 /nfs/dbraw/zinc/02/99/87/180029987.db2.gz LQGKSJNJFJMWND-GXTWGEPZSA-N 2 1 278.396 2.276 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000090720384 180029988 /nfs/dbraw/zinc/02/99/88/180029988.db2.gz LQGKSJNJFJMWND-GXTWGEPZSA-N 2 1 278.396 2.276 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000090720388 180030492 /nfs/dbraw/zinc/03/04/92/180030492.db2.gz LQGKSJNJFJMWND-OCCSQVGLSA-N 2 1 278.396 2.276 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000090720388 180030495 /nfs/dbraw/zinc/03/04/95/180030495.db2.gz LQGKSJNJFJMWND-OCCSQVGLSA-N 2 1 278.396 2.276 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCCC[C@H]1CCO ZINC000342057336 539794630 /nfs/dbraw/zinc/79/46/30/539794630.db2.gz ISKASXHMDLYILH-HNNXBMFYSA-N 2 1 256.434 2.345 20 0 CEADMP CCO[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000625186741 350424545 /nfs/dbraw/zinc/42/45/45/350424545.db2.gz XYYJBQMGJGQHRI-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CCO[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000625186741 350424548 /nfs/dbraw/zinc/42/45/48/350424548.db2.gz XYYJBQMGJGQHRI-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CCO[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000625186741 350424550 /nfs/dbraw/zinc/42/45/50/350424550.db2.gz XYYJBQMGJGQHRI-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP O[C@@H](Cc1ccccc1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000106402751 186114122 /nfs/dbraw/zinc/11/41/22/186114122.db2.gz PZOPPKCMFZTOFC-SFHVURJKSA-N 2 1 288.435 2.150 20 0 CEADMP COc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868793 186144253 /nfs/dbraw/zinc/14/42/53/186144253.db2.gz HBHPHQQKQIXVRF-LSDHHAIUSA-N 2 1 260.381 2.412 20 0 CEADMP COc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868793 186144255 /nfs/dbraw/zinc/14/42/55/186144255.db2.gz HBHPHQQKQIXVRF-LSDHHAIUSA-N 2 1 260.381 2.412 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1OC ZINC000130504412 365963842 /nfs/dbraw/zinc/96/38/42/365963842.db2.gz JYQBZALQLNYRGY-CFVMTHIKSA-N 2 1 290.407 2.263 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC2CC(C)(C)C2)CCO1 ZINC000625563469 350529106 /nfs/dbraw/zinc/52/91/06/350529106.db2.gz QUFBQVIYWYIPLX-HNNXBMFYSA-N 2 1 268.445 2.465 20 0 CEADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCOC3)CC2)cc1 ZINC000109429309 186252360 /nfs/dbraw/zinc/25/23/60/186252360.db2.gz WZVUWFNBAQCBMX-INIZCTEOSA-N 2 1 260.381 2.030 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000568977394 299171459 /nfs/dbraw/zinc/17/14/59/299171459.db2.gz YDZYXPWSVXTIND-CRAIPNDOSA-N 2 1 288.435 2.220 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2cncn2C)C[C@@H]1C ZINC000568996305 299173655 /nfs/dbraw/zinc/17/36/55/299173655.db2.gz DMWRWYUEWNPSJH-LSDHHAIUSA-N 3 1 278.444 2.157 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2cncn2C)C[C@@H]1C ZINC000568996305 299173659 /nfs/dbraw/zinc/17/36/59/299173659.db2.gz DMWRWYUEWNPSJH-LSDHHAIUSA-N 3 1 278.444 2.157 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2cncn2C)C[C@@H]1C ZINC000568996305 299173662 /nfs/dbraw/zinc/17/36/62/299173662.db2.gz DMWRWYUEWNPSJH-LSDHHAIUSA-N 3 1 278.444 2.157 20 0 CEADMP O[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000629505541 351380392 /nfs/dbraw/zinc/38/03/92/351380392.db2.gz LHXXRQMRCHTWLG-HZPDHXFCSA-N 2 1 294.826 2.447 20 0 CEADMP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(F)c1 ZINC000629519406 351386571 /nfs/dbraw/zinc/38/65/71/351386571.db2.gz GHRSDFVHLGHAQO-CQSZACIVSA-N 2 1 266.360 2.374 20 0 CEADMP COc1ccncc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000629533958 351397323 /nfs/dbraw/zinc/39/73/23/351397323.db2.gz FOZVUHKDGHUMTM-HIFRSBDPSA-N 2 1 275.396 2.054 20 0 CEADMP COc1ccncc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000629533958 351397326 /nfs/dbraw/zinc/39/73/26/351397326.db2.gz FOZVUHKDGHUMTM-HIFRSBDPSA-N 2 1 275.396 2.054 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C[NH2+]1 ZINC000629541760 351403136 /nfs/dbraw/zinc/40/31/36/351403136.db2.gz VGUATHWHMVPWHM-QCODTGAPSA-N 2 1 266.429 2.312 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000629387934 351346245 /nfs/dbraw/zinc/34/62/45/351346245.db2.gz KFIXDVRHSYMBPG-NRSFXHEJSA-N 2 1 287.451 2.380 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000629390188 351347518 /nfs/dbraw/zinc/34/75/18/351347518.db2.gz MUTQUMKFDHVYNI-LSDHHAIUSA-N 2 1 295.471 2.144 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@H]3CC[C@H](C)[NH2+]C3)CC2)n1 ZINC000629542404 351404273 /nfs/dbraw/zinc/40/42/73/351404273.db2.gz YYLIWQDJQRHBDB-RSUZKEPVSA-N 2 1 278.400 2.134 20 0 CEADMP C[C@@H]1C[N@H+](CC2=Cc3ccccc3OC2)CC[C@H]1[NH3+] ZINC000629652060 351449969 /nfs/dbraw/zinc/44/99/69/351449969.db2.gz USDWUBMQGYMNGP-IUODEOHRSA-N 2 1 258.365 2.132 20 0 CEADMP C[C@@H]1C[N@@H+](CC2=Cc3ccccc3OC2)CC[C@H]1[NH3+] ZINC000629652060 351449972 /nfs/dbraw/zinc/44/99/72/351449972.db2.gz USDWUBMQGYMNGP-IUODEOHRSA-N 2 1 258.365 2.132 20 0 CEADMP [NH3+]CCC[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000629550883 351410452 /nfs/dbraw/zinc/41/04/52/351410452.db2.gz PUGLWHXKTBWBEM-LBPRGKRZSA-N 2 1 254.324 2.493 20 0 CEADMP COCCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565320 351417517 /nfs/dbraw/zinc/41/75/17/351417517.db2.gz VXPMYUPONWDNBV-VXGBXAGGSA-N 2 1 282.350 2.262 20 0 CEADMP CC(C)CC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629567069 351418080 /nfs/dbraw/zinc/41/80/80/351418080.db2.gz VEAWRABJFNVPFN-GHMZBOCLSA-N 2 1 252.324 2.492 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1ccc(OC)cc1Cl ZINC000629571699 351419572 /nfs/dbraw/zinc/41/95/72/351419572.db2.gz PDBZYSGZCPOSKE-UHFFFAOYSA-N 2 1 286.803 2.016 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(OC)cc1Cl ZINC000629571699 351419578 /nfs/dbraw/zinc/41/95/78/351419578.db2.gz PDBZYSGZCPOSKE-UHFFFAOYSA-N 2 1 286.803 2.016 20 0 CEADMP Cc1oc(-c2cccs2)nc1C[N@H+](C)CCOCC[NH3+] ZINC000629579362 351420228 /nfs/dbraw/zinc/42/02/28/351420228.db2.gz KJTJHXMWHPSFMQ-UHFFFAOYSA-N 2 1 295.408 2.119 20 0 CEADMP Cc1oc(-c2cccs2)nc1C[N@@H+](C)CCOCC[NH3+] ZINC000629579362 351420231 /nfs/dbraw/zinc/42/02/31/351420231.db2.gz KJTJHXMWHPSFMQ-UHFFFAOYSA-N 2 1 295.408 2.119 20 0 CEADMP COc1ccc(C(C)C)cc1C[N@@H+](C)CCOCC[NH3+] ZINC000629581161 351422174 /nfs/dbraw/zinc/42/21/74/351422174.db2.gz PMMSJDAWIPONPY-UHFFFAOYSA-N 2 1 280.412 2.226 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC000629581043 351422246 /nfs/dbraw/zinc/42/22/46/351422246.db2.gz KNUAQOMZEBZAOL-HIFRSBDPSA-N 2 1 256.434 2.105 20 0 CEADMP COc1cccc2c1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000629582272 351423236 /nfs/dbraw/zinc/42/32/36/351423236.db2.gz QSPUVRVZZXNZKU-ZDUSSCGKSA-N 2 1 260.381 2.401 20 0 CEADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1O ZINC000070148817 363036760 /nfs/dbraw/zinc/03/67/60/363036760.db2.gz JYSAWFHTXLZCIH-CYBMUJFWSA-N 2 1 264.369 2.104 20 0 CEADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1O ZINC000070148817 363036766 /nfs/dbraw/zinc/03/67/66/363036766.db2.gz JYSAWFHTXLZCIH-CYBMUJFWSA-N 2 1 264.369 2.104 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCOc1ccccc1F ZINC000070150095 363038728 /nfs/dbraw/zinc/03/87/28/363038728.db2.gz XARQMJDUIOTQDH-CYBMUJFWSA-N 2 1 266.360 2.408 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070169393 363042691 /nfs/dbraw/zinc/04/26/91/363042691.db2.gz UIROHNWIJMDXGX-CQSZACIVSA-N 2 1 275.396 2.206 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOc2ccccc2F)C1 ZINC000070174684 363048433 /nfs/dbraw/zinc/04/84/33/363048433.db2.gz QDTXCZISHNOYDK-OLZOCXBDSA-N 2 1 266.360 2.264 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccccc2F)C1 ZINC000070174684 363048437 /nfs/dbraw/zinc/04/84/37/363048437.db2.gz QDTXCZISHNOYDK-OLZOCXBDSA-N 2 1 266.360 2.264 20 0 CEADMP C[C@@H]1CCC[C@](CNC(=O)C[N@@H+](C)C2CCC2)([NH+](C)C)C1 ZINC000629951674 351550710 /nfs/dbraw/zinc/55/07/10/351550710.db2.gz YLEMPZPZYPWEQH-PBHICJAKSA-N 2 1 295.471 2.097 20 0 CEADMP CCN(CCC[NH+](CC)CC)C(=O)C[N@@H+](C)C1CCC1 ZINC000629983852 351569564 /nfs/dbraw/zinc/56/95/64/351569564.db2.gz AQOHHIMASBUIRS-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP FC(F)[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000630072274 351602694 /nfs/dbraw/zinc/60/26/94/351602694.db2.gz DGEJQPXMCXWWBX-OAHLLOKOSA-N 2 1 296.361 2.188 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cccn1 ZINC000271443388 191141695 /nfs/dbraw/zinc/14/16/95/191141695.db2.gz GYSBIKZISCTQOE-FUHWJXTLSA-N 2 1 298.434 2.383 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCSc1ccccc1 ZINC000131706845 366079421 /nfs/dbraw/zinc/07/94/21/366079421.db2.gz MQDCBCINOSIAEN-STQMWFEESA-N 2 1 250.411 2.448 20 0 CEADMP COc1ccccc1OCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123357297 187087515 /nfs/dbraw/zinc/08/75/15/187087515.db2.gz ADCARAVNCYKCTM-GJZGRUSLSA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123357297 187087516 /nfs/dbraw/zinc/08/75/16/187087516.db2.gz ADCARAVNCYKCTM-GJZGRUSLSA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccccc1OCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123357297 187087517 /nfs/dbraw/zinc/08/75/17/187087517.db2.gz ADCARAVNCYKCTM-GJZGRUSLSA-N 2 1 292.423 2.489 20 0 CEADMP COc1ccccc1OCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123357297 187087518 /nfs/dbraw/zinc/08/75/18/187087518.db2.gz ADCARAVNCYKCTM-GJZGRUSLSA-N 2 1 292.423 2.489 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC000631046233 351936809 /nfs/dbraw/zinc/93/68/09/351936809.db2.gz YWLPVZZYIMRWJH-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC000631046233 351936811 /nfs/dbraw/zinc/93/68/11/351936811.db2.gz YWLPVZZYIMRWJH-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631055790 351941603 /nfs/dbraw/zinc/94/16/03/351941603.db2.gz GWSYMAWZQMXRBI-AWEZNQCLSA-N 2 1 290.455 2.119 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631055790 351941605 /nfs/dbraw/zinc/94/16/05/351941605.db2.gz GWSYMAWZQMXRBI-AWEZNQCLSA-N 2 1 290.455 2.119 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccnn1C ZINC000631195356 352010316 /nfs/dbraw/zinc/01/03/16/352010316.db2.gz FRWDTYWDPPCTKG-RDJZCZTQSA-N 2 1 298.434 2.278 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccnn1C ZINC000631195356 352010320 /nfs/dbraw/zinc/01/03/20/352010320.db2.gz FRWDTYWDPPCTKG-RDJZCZTQSA-N 2 1 298.434 2.278 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(F)c3ccccc23)C1 ZINC000631110834 351967849 /nfs/dbraw/zinc/96/78/49/351967849.db2.gz FAASHBJZRKPZJG-QGZVFWFLSA-N 2 1 288.366 2.135 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(F)c3ccccc23)C1 ZINC000631110834 351967852 /nfs/dbraw/zinc/96/78/52/351967852.db2.gz FAASHBJZRKPZJG-QGZVFWFLSA-N 2 1 288.366 2.135 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@]2(O)CCCC(C)(C)CC2)CC1 ZINC000631204909 352016683 /nfs/dbraw/zinc/01/66/83/352016683.db2.gz VNYIQRYYMZRBCD-MRXNPFEDSA-N 2 1 268.445 2.392 20 0 CEADMP Cc1cnccc1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000271561342 191212339 /nfs/dbraw/zinc/21/23/39/191212339.db2.gz WUPKLEQBQXTZNP-IJEWVQPXSA-N 2 1 261.413 2.251 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000271564853 191214414 /nfs/dbraw/zinc/21/44/14/191214414.db2.gz UVZGDYPIPBRZGY-XKQJLSEDSA-N 2 1 294.414 2.049 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(Cc3cccc4nsnc43)C2)C1 ZINC000292144896 198180541 /nfs/dbraw/zinc/18/05/41/198180541.db2.gz MWUWOOBURCLKJR-OAHLLOKOSA-N 2 1 288.420 2.219 20 0 CEADMP COC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000153732819 188099983 /nfs/dbraw/zinc/09/99/83/188099983.db2.gz FLWAKAXBNCDTNZ-LLVKDONJSA-N 2 1 277.343 2.444 20 0 CEADMP CC[C@H]1C[N@@H+](CCOc2ccccc2OC)CC[C@H]1[NH3+] ZINC000251819113 539991998 /nfs/dbraw/zinc/99/19/98/539991998.db2.gz PCYAWGMLUGLNDD-UONOGXRCSA-N 2 1 278.396 2.133 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3[nH]c(=O)ccc32)CC[N@@H+]1C ZINC000253619655 540001250 /nfs/dbraw/zinc/00/12/50/540001250.db2.gz UVVZMUSZTXTPTN-DYEKYZERSA-N 2 1 275.396 2.237 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3[nH]c(=O)ccc32)CC[N@H+]1C ZINC000253619655 540001252 /nfs/dbraw/zinc/00/12/52/540001252.db2.gz UVVZMUSZTXTPTN-DYEKYZERSA-N 2 1 275.396 2.237 20 0 CEADMP Cc1ccncc1CCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292679762 198372747 /nfs/dbraw/zinc/37/27/47/198372747.db2.gz AMOJAKMYOMEBJB-QGZVFWFLSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1ccncc1CCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292679762 198372748 /nfs/dbraw/zinc/37/27/48/198372748.db2.gz AMOJAKMYOMEBJB-QGZVFWFLSA-N 2 1 273.424 2.350 20 0 CEADMP Cc1ccncc1CCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292679762 198372749 /nfs/dbraw/zinc/37/27/49/198372749.db2.gz AMOJAKMYOMEBJB-QGZVFWFLSA-N 2 1 273.424 2.350 20 0 CEADMP C[N@@H+](CCC[NH2+][C@@H]1CCC(=O)NC1(C)C)C1CCCCC1 ZINC000494878565 291002721 /nfs/dbraw/zinc/00/27/21/291002721.db2.gz MHVRJROTWUBZOV-OAHLLOKOSA-N 2 1 295.471 2.288 20 0 CEADMP C[N@H+](CCCc1ccncc1)CCC[NH+]1CCCC1 ZINC000337237241 366096221 /nfs/dbraw/zinc/09/62/21/366096221.db2.gz YMUXNHVFVMJJRR-UHFFFAOYSA-N 2 1 261.413 2.432 20 0 CEADMP Cc1nccn1CCCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000337278352 366122251 /nfs/dbraw/zinc/12/22/51/366122251.db2.gz SMXSRWPFSBRNFH-UHFFFAOYSA-N 2 1 278.444 2.389 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000495080220 291015687 /nfs/dbraw/zinc/01/56/87/291015687.db2.gz CEFBAQRIBAOXOZ-LSDHHAIUSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495086714 291016791 /nfs/dbraw/zinc/01/67/91/291016791.db2.gz AVALEVCQXDRMDF-CABCVRRESA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495086714 291016793 /nfs/dbraw/zinc/01/67/93/291016793.db2.gz AVALEVCQXDRMDF-CABCVRRESA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)C[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000338049720 366192111 /nfs/dbraw/zinc/19/21/11/366192111.db2.gz LCSPOUKUOKELPK-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000236940356 370662084 /nfs/dbraw/zinc/66/20/84/370662084.db2.gz ZWRKFMVXSKVJNS-ABAIWWIYSA-N 2 1 286.379 2.095 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000271757858 191308264 /nfs/dbraw/zinc/30/82/64/191308264.db2.gz SKTGQGZEVVKQLY-LBPRGKRZSA-N 2 1 283.379 2.429 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414709312 283062789 /nfs/dbraw/zinc/06/27/89/283062789.db2.gz QBICPCLWFIJTCQ-JYJNAYRXSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414709312 283062790 /nfs/dbraw/zinc/06/27/90/283062790.db2.gz QBICPCLWFIJTCQ-JYJNAYRXSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414709312 283062792 /nfs/dbraw/zinc/06/27/92/283062792.db2.gz QBICPCLWFIJTCQ-JYJNAYRXSA-N 3 1 267.461 2.038 20 0 CEADMP Cc1nccn1CCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451696560 283076279 /nfs/dbraw/zinc/07/62/79/283076279.db2.gz GJBZJINIBKZBPF-OWCLPIDISA-N 2 1 277.412 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451696560 283076280 /nfs/dbraw/zinc/07/62/80/283076280.db2.gz GJBZJINIBKZBPF-OWCLPIDISA-N 2 1 277.412 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451696560 283076281 /nfs/dbraw/zinc/07/62/81/283076281.db2.gz GJBZJINIBKZBPF-OWCLPIDISA-N 2 1 277.412 2.065 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271844186 191362862 /nfs/dbraw/zinc/36/28/62/191362862.db2.gz HLRAHNKGJARCMO-KRWDZBQOSA-N 2 1 274.408 2.096 20 0 CEADMP COC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271856698 191371530 /nfs/dbraw/zinc/37/15/30/191371530.db2.gz XPHSEYIFZJKAJF-GOEBONIOSA-N 2 1 290.407 2.050 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451813118 283113611 /nfs/dbraw/zinc/11/36/11/283113611.db2.gz RWKGVEIBZXUCDE-CQSZACIVSA-N 2 1 256.434 2.201 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN1CCSC[C@@H]1c1ccccc1 ZINC000570055530 299234294 /nfs/dbraw/zinc/23/42/94/299234294.db2.gz YPSKIAUDWDNHIK-JKSUJKDBSA-N 2 1 294.464 2.089 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)[C@H]2CCC[C@H]21 ZINC000353590738 283133729 /nfs/dbraw/zinc/13/37/29/283133729.db2.gz UXDVERDBZGFXIK-OWCLPIDISA-N 2 1 292.467 2.392 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCC2)[C@H]2CCC[C@@H]21 ZINC000353630927 283133926 /nfs/dbraw/zinc/13/39/26/283133926.db2.gz JPZXEJUFMCYGGW-ILXRZTDVSA-N 2 1 266.429 2.002 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000570093352 299237671 /nfs/dbraw/zinc/23/76/71/299237671.db2.gz PHYOQEPZDQPOFC-NSHDSACASA-N 2 1 289.427 2.050 20 0 CEADMP Cc1nnc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000273631543 192238342 /nfs/dbraw/zinc/23/83/42/192238342.db2.gz SIQBWYASZSUULL-SECBINFHSA-N 2 1 265.386 2.092 20 0 CEADMP CCOC(=O)CCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834956 363491825 /nfs/dbraw/zinc/49/18/25/363491825.db2.gz JAFZGTJGUYCMTA-HNNXBMFYSA-N 2 1 282.428 2.138 20 0 CEADMP CCOC(=O)CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834956 363491827 /nfs/dbraw/zinc/49/18/27/363491827.db2.gz JAFZGTJGUYCMTA-HNNXBMFYSA-N 2 1 282.428 2.138 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000353485427 283186724 /nfs/dbraw/zinc/18/67/24/283186724.db2.gz TUIWIAFTQICGBH-JEYLPNPQSA-N 2 1 283.460 2.144 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000353485427 283186725 /nfs/dbraw/zinc/18/67/25/283186725.db2.gz TUIWIAFTQICGBH-JEYLPNPQSA-N 2 1 283.460 2.144 20 0 CEADMP C[N@@H+](CCc1ccc2c(c1)CCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000075766461 363488339 /nfs/dbraw/zinc/48/83/39/363488339.db2.gz WCSNOJSLZWRWPT-MRXNPFEDSA-N 2 1 288.435 2.438 20 0 CEADMP C[NH+](CCc1ccc2c(c1)CCO2)C[C@@H]1CCC[N@H+](C)C1 ZINC000075766461 363488340 /nfs/dbraw/zinc/48/83/40/363488340.db2.gz WCSNOJSLZWRWPT-MRXNPFEDSA-N 2 1 288.435 2.438 20 0 CEADMP C[NH+](CCc1ccc2c(c1)CCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000075766461 363488341 /nfs/dbraw/zinc/48/83/41/363488341.db2.gz WCSNOJSLZWRWPT-MRXNPFEDSA-N 2 1 288.435 2.438 20 0 CEADMP CC(C)OC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834242 363490580 /nfs/dbraw/zinc/49/05/80/363490580.db2.gz MLUVQHDERGQNOI-HNNXBMFYSA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834242 363490583 /nfs/dbraw/zinc/49/05/83/363490583.db2.gz MLUVQHDERGQNOI-HNNXBMFYSA-N 2 1 282.428 2.136 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2CCCC[NH+]2C2CC2)[C@H](C)C1 ZINC000570273785 299250473 /nfs/dbraw/zinc/25/04/73/299250473.db2.gz XIQWGFFZDWXSBH-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCCC[N@@H+]2C2CC2)[C@H](C)C1 ZINC000570273785 299250474 /nfs/dbraw/zinc/25/04/74/299250474.db2.gz XIQWGFFZDWXSBH-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCCC[N@H+]2C2CC2)[C@H](C)C1 ZINC000570273785 299250477 /nfs/dbraw/zinc/25/04/77/299250477.db2.gz XIQWGFFZDWXSBH-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2C2CC2)[C@H](C)C1 ZINC000570273785 299250480 /nfs/dbraw/zinc/25/04/80/299250480.db2.gz XIQWGFFZDWXSBH-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2C2CC2)[C@H](C)C1 ZINC000570273785 299250483 /nfs/dbraw/zinc/25/04/83/299250483.db2.gz XIQWGFFZDWXSBH-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP CC1(C)CC[N@@H+](CC(=O)NCCC[NH+]2CCCCCC2)C1 ZINC000570291276 299251886 /nfs/dbraw/zinc/25/18/86/299251886.db2.gz JIRMKYBJVZJJHU-UHFFFAOYSA-N 2 1 295.471 2.101 20 0 CEADMP CCc1ccc(CC[NH+]2CCC([NH2+]CCOC)CC2)cc1 ZINC000570285883 299251458 /nfs/dbraw/zinc/25/14/58/299251458.db2.gz HGOXUGNRMDXTMW-UHFFFAOYSA-N 2 1 290.451 2.492 20 0 CEADMP CC(C)(O)CC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134871064 366366922 /nfs/dbraw/zinc/36/69/22/366366922.db2.gz AZJHIIYMVJBTAX-HIFRSBDPSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)(O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134871064 366366924 /nfs/dbraw/zinc/36/69/24/366366924.db2.gz AZJHIIYMVJBTAX-HIFRSBDPSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)(O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134871064 366366926 /nfs/dbraw/zinc/36/69/26/366366926.db2.gz AZJHIIYMVJBTAX-HIFRSBDPSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)(O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134871064 366366929 /nfs/dbraw/zinc/36/69/29/366366929.db2.gz AZJHIIYMVJBTAX-HIFRSBDPSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)(O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134871064 366366932 /nfs/dbraw/zinc/36/69/32/366366932.db2.gz AZJHIIYMVJBTAX-HIFRSBDPSA-N 2 1 266.429 2.096 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336326155 213171848 /nfs/dbraw/zinc/17/18/48/213171848.db2.gz SWMHGXDYUJZNFP-UHFFFAOYSA-N 2 1 298.434 2.191 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)CO)CC1 ZINC000120669572 538861830 /nfs/dbraw/zinc/86/18/30/538861830.db2.gz ZRWAOJBHEBTRKU-CQSZACIVSA-N 2 1 256.434 2.059 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)C[C@H]1c1ccccc1 ZINC000417401983 540274891 /nfs/dbraw/zinc/27/48/91/540274891.db2.gz MBTLMSORXQROII-LUKYLMHMSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)C[C@H]1c1ccccc1 ZINC000417401983 540274894 /nfs/dbraw/zinc/27/48/94/540274894.db2.gz MBTLMSORXQROII-LUKYLMHMSA-N 2 1 274.408 2.325 20 0 CEADMP CC(C)[C@H]1CC[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000353585542 540316974 /nfs/dbraw/zinc/31/69/74/540316974.db2.gz UHYUQQZUEVTPDL-CABCVRRESA-N 2 1 267.461 2.037 20 0 CEADMP CCOC(=O)N[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)CC(C)C ZINC000496243261 291121291 /nfs/dbraw/zinc/12/12/91/291121291.db2.gz FXUASDRGOIRKJS-KFWWJZLASA-N 2 1 299.459 2.267 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1F ZINC000166061592 540330132 /nfs/dbraw/zinc/33/01/32/540330132.db2.gz ZBKUBEWSMXNZFR-GHMZBOCLSA-N 2 1 252.333 2.003 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1F ZINC000166061592 540330135 /nfs/dbraw/zinc/33/01/35/540330135.db2.gz ZBKUBEWSMXNZFR-GHMZBOCLSA-N 2 1 252.333 2.003 20 0 CEADMP CCC[NH+]1CCC(N(C)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000161767043 283318391 /nfs/dbraw/zinc/31/83/91/283318391.db2.gz ALHYINYTFFGXII-OAHLLOKOSA-N 2 1 267.461 2.277 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000338869905 283338822 /nfs/dbraw/zinc/33/88/22/283338822.db2.gz OEVFPNDITYWMKM-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000132636046 291145063 /nfs/dbraw/zinc/14/50/63/291145063.db2.gz RHGJAKPKSRKPDD-ZFWWWQNUSA-N 2 1 279.472 2.464 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)CC(C)C ZINC000577766259 366395792 /nfs/dbraw/zinc/39/57/92/366395792.db2.gz XXTICPQCSDQWCE-QGZVFWFLSA-N 2 1 278.440 2.457 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)CC(C)C ZINC000577766259 366395797 /nfs/dbraw/zinc/39/57/97/366395797.db2.gz XXTICPQCSDQWCE-QGZVFWFLSA-N 2 1 278.440 2.457 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccc1)CC(C)C ZINC000577766259 366395799 /nfs/dbraw/zinc/39/57/99/366395799.db2.gz XXTICPQCSDQWCE-QGZVFWFLSA-N 2 1 278.440 2.457 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccc1)CC(C)C ZINC000577766259 366395808 /nfs/dbraw/zinc/39/58/08/366395808.db2.gz XXTICPQCSDQWCE-QGZVFWFLSA-N 2 1 278.440 2.457 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000340473006 291146271 /nfs/dbraw/zinc/14/62/71/291146271.db2.gz JIARVZXRJVWCLI-JKSUJKDBSA-N 3 1 267.461 2.325 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)CCN1C ZINC000340473006 291146273 /nfs/dbraw/zinc/14/62/73/291146273.db2.gz JIARVZXRJVWCLI-JKSUJKDBSA-N 2 1 267.461 2.325 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1ccc(OC(F)F)c(F)c1 ZINC000577849703 366406249 /nfs/dbraw/zinc/40/62/49/366406249.db2.gz BGVXYWCHQLJKSX-UHFFFAOYSA-N 2 1 262.275 2.208 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1ccc(OC(F)F)c(F)c1 ZINC000577849703 366406253 /nfs/dbraw/zinc/40/62/53/366406253.db2.gz BGVXYWCHQLJKSX-UHFFFAOYSA-N 2 1 262.275 2.208 20 0 CEADMP COC(=O)C(C)(C)CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338549952 366408854 /nfs/dbraw/zinc/40/88/54/366408854.db2.gz ZDAHXVXYLWWXDX-UHFFFAOYSA-N 2 1 284.444 2.380 20 0 CEADMP Cc1ncc(CNCC(C)(C)[N@H+]2CCC[C@@H](C)C2)n1C ZINC000577887077 366413661 /nfs/dbraw/zinc/41/36/61/366413661.db2.gz CMPGRBWVVPFNJG-CYBMUJFWSA-N 2 1 278.444 2.329 20 0 CEADMP Cc1ncc(C[NH2+]CC(C)(C)N2CCC[C@@H](C)C2)n1C ZINC000577887077 366413663 /nfs/dbraw/zinc/41/36/63/366413663.db2.gz CMPGRBWVVPFNJG-CYBMUJFWSA-N 2 1 278.444 2.329 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294846667 199210643 /nfs/dbraw/zinc/21/06/43/199210643.db2.gz NASJJVRGNDRAKN-XBVQOTNRSA-N 2 1 274.408 2.010 20 0 CEADMP CCOC[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000578075669 366440111 /nfs/dbraw/zinc/44/01/11/366440111.db2.gz HGPWQUGYOXMIBT-HNNXBMFYSA-N 2 1 274.408 2.191 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)c2ccccc21 ZINC000570832385 299280418 /nfs/dbraw/zinc/28/04/18/299280418.db2.gz PTBSZINZNKVQRD-ZLKJLUDKSA-N 2 1 299.340 2.357 20 0 CEADMP Cc1cc(C)c(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c(C)c1 ZINC000415037405 236605219 /nfs/dbraw/zinc/60/52/19/236605219.db2.gz LBOQSINCASUEOZ-HNNXBMFYSA-N 2 1 262.397 2.080 20 0 CEADMP CCOC(=O)CCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338730127 366494116 /nfs/dbraw/zinc/49/41/16/366494116.db2.gz IPNGUQKSVLDCLA-UHFFFAOYSA-N 2 1 270.417 2.134 20 0 CEADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000496844775 291176076 /nfs/dbraw/zinc/17/60/76/291176076.db2.gz HNBRXSZJFNSKCI-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCCNC(=O)OC(C)(C)C ZINC000496844775 291176078 /nfs/dbraw/zinc/17/60/78/291176078.db2.gz HNBRXSZJFNSKCI-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCCNC(=O)OC(C)(C)C ZINC000496844775 291176079 /nfs/dbraw/zinc/17/60/79/291176079.db2.gz HNBRXSZJFNSKCI-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000496844775 291176081 /nfs/dbraw/zinc/17/60/81/291176081.db2.gz HNBRXSZJFNSKCI-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000496844775 291176082 /nfs/dbraw/zinc/17/60/82/291176082.db2.gz HNBRXSZJFNSKCI-KGLIPLIRSA-N 2 1 299.459 2.173 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccccc1 ZINC000311514690 540456971 /nfs/dbraw/zinc/45/69/71/540456971.db2.gz BYRWOTNRZCVLPI-OAHLLOKOSA-N 2 1 264.413 2.212 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccccc1 ZINC000311514690 540456974 /nfs/dbraw/zinc/45/69/74/540456974.db2.gz BYRWOTNRZCVLPI-OAHLLOKOSA-N 2 1 264.413 2.212 20 0 CEADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000312998130 540463755 /nfs/dbraw/zinc/46/37/55/540463755.db2.gz YVBQXSWAIJUWNR-HOTGVXAUSA-N 2 1 298.471 2.018 20 0 CEADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000312998130 540463758 /nfs/dbraw/zinc/46/37/58/540463758.db2.gz YVBQXSWAIJUWNR-HOTGVXAUSA-N 2 1 298.471 2.018 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671755230 540502292 /nfs/dbraw/zinc/50/22/92/540502292.db2.gz FQWOAQJULVZVHQ-NSHDSACASA-N 2 1 287.363 2.446 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496912806 291183029 /nfs/dbraw/zinc/18/30/29/291183029.db2.gz QJPHQLPWLTVMGU-WOPDTQHZSA-N 2 1 277.368 2.030 20 0 CEADMP c1ccc(O[C@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000571047377 299292013 /nfs/dbraw/zinc/29/20/13/299292013.db2.gz WAESDUIMTSDLLZ-HOCLYGCPSA-N 2 1 260.381 2.139 20 0 CEADMP Cc1[nH+]cc(CN(CCC[NH3+])c2cccc(F)c2)n1C ZINC000667973045 540544052 /nfs/dbraw/zinc/54/40/52/540544052.db2.gz FWMJDGRTUYWGDX-UHFFFAOYSA-N 2 1 276.359 2.223 20 0 CEADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058064 296000234 /nfs/dbraw/zinc/00/02/34/296000234.db2.gz RETYEUIQMBQRFB-FXUDXRNXSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058064 296000236 /nfs/dbraw/zinc/00/02/36/296000236.db2.gz RETYEUIQMBQRFB-FXUDXRNXSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000329404268 202321927 /nfs/dbraw/zinc/32/19/27/202321927.db2.gz AKIOUUZQVZIHGS-GXTWGEPZSA-N 2 1 270.336 2.086 20 0 CEADMP C[C@@H](c1cnccn1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000329404268 202321931 /nfs/dbraw/zinc/32/19/31/202321931.db2.gz AKIOUUZQVZIHGS-GXTWGEPZSA-N 2 1 270.336 2.086 20 0 CEADMP Cc1ccc(NCCC[NH2+]C[C@H](O)CCC(C)C)[nH+]c1 ZINC000578979988 366574621 /nfs/dbraw/zinc/57/46/21/366574621.db2.gz NWKFEJIDSICLLU-OAHLLOKOSA-N 2 1 279.428 2.001 20 0 CEADMP C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCC[NH+](C[C@H]2CCCO2)CC1 ZINC000338939631 366579233 /nfs/dbraw/zinc/57/92/33/366579233.db2.gz WEKZUWSJIXNCFB-YESZJQIVSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+](C[C@@H]1CCCO1)[C@H]1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000338939631 366579235 /nfs/dbraw/zinc/57/92/35/366579235.db2.gz WEKZUWSJIXNCFB-YESZJQIVSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+](C[C@@H]1CCCO1)[C@H]1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000338939631 366579237 /nfs/dbraw/zinc/57/92/37/366579237.db2.gz WEKZUWSJIXNCFB-YESZJQIVSA-N 2 1 296.455 2.131 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC2(OC)CCC2)C1 ZINC000339014918 366614850 /nfs/dbraw/zinc/61/48/50/366614850.db2.gz YKRASYAMCXLFKD-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC2(OC)CCC2)C1 ZINC000339014918 366614861 /nfs/dbraw/zinc/61/48/61/366614861.db2.gz YKRASYAMCXLFKD-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC2(OC)CCC2)C1 ZINC000339014918 366614866 /nfs/dbraw/zinc/61/48/66/366614866.db2.gz YKRASYAMCXLFKD-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)[C@@H]2CCOC2)C1 ZINC000151130155 366624241 /nfs/dbraw/zinc/62/42/41/366624241.db2.gz IYQGJILFBXTVLD-KFWWJZLASA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(N2CCOC2=O)cc1 ZINC000151913641 366675536 /nfs/dbraw/zinc/67/55/36/366675536.db2.gz IGUFNRCNSMLFJD-ZDUSSCGKSA-N 2 1 291.395 2.246 20 0 CEADMP Cc1[nH]nc2ncc(CN3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)cc12 ZINC000579647341 366676361 /nfs/dbraw/zinc/67/63/61/366676361.db2.gz KVWJJDCESVTYSL-HOCLYGCPSA-N 2 1 299.422 2.182 20 0 CEADMP CC[C@@H](C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000579542957 366659199 /nfs/dbraw/zinc/65/91/99/366659199.db2.gz NXXNEQZCKFWTHO-CYBMUJFWSA-N 2 1 290.411 2.208 20 0 CEADMP CCOc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000298230021 200366206 /nfs/dbraw/zinc/36/62/06/200366206.db2.gz YLWNGCONAXMXTC-HOCLYGCPSA-N 2 1 292.423 2.193 20 0 CEADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[N@H+](C)C(C)C ZINC000177311818 189043111 /nfs/dbraw/zinc/04/31/11/189043111.db2.gz WJAVADDUSVIHLP-UHFFFAOYSA-N 2 1 277.412 2.335 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cncs1 ZINC000178622002 189131983 /nfs/dbraw/zinc/13/19/83/189131983.db2.gz SEEADQIZCMXSEG-JTQLQIEISA-N 2 1 250.371 2.074 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CCO)c2ccccc2)CC[N@H+]1C ZINC000178644447 189133710 /nfs/dbraw/zinc/13/37/10/189133710.db2.gz VHGAGKUJATZPLF-DJIMGWMZSA-N 2 1 276.424 2.225 20 0 CEADMP C[NH2+]CCCC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000178661947 189135489 /nfs/dbraw/zinc/13/54/89/189135489.db2.gz XLTJPXNQTNRJOV-CQSZACIVSA-N 2 1 297.830 2.059 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000178785823 189145774 /nfs/dbraw/zinc/14/57/74/189145774.db2.gz GTMOKXOQZWAUNM-GFCCVEGCSA-N 2 1 275.400 2.364 20 0 CEADMP c1nc(C2CC2)sc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000579687152 366683832 /nfs/dbraw/zinc/68/38/32/366683832.db2.gz XJJNADZZLXSCDK-SNVBAGLBSA-N 2 1 251.399 2.110 20 0 CEADMP Cc1nc(C)c(C)c(N[C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000675548420 540852277 /nfs/dbraw/zinc/85/22/77/540852277.db2.gz NYVFNJHSNILBRN-AWEZNQCLSA-N 2 1 260.385 2.298 20 0 CEADMP c1ccc2c(c1)CN(CC[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000677237600 540995861 /nfs/dbraw/zinc/99/58/61/540995861.db2.gz KCUMEBKXZKGQGR-ZWKOTPCHSA-N 2 1 285.435 2.219 20 0 CEADMP Cc1[nH+]ccn1CCCN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000677818640 541046679 /nfs/dbraw/zinc/04/66/79/541046679.db2.gz FHSWQAJUTYKCKL-OAHLLOKOSA-N 2 1 264.417 2.044 20 0 CEADMP CN(Cc1ccc2c(n1)CCC2)C[C@H]1CCC[N@@H+](C)C1 ZINC000579806903 366704936 /nfs/dbraw/zinc/70/49/36/366704936.db2.gz WBFUNERPXZPAFR-AWEZNQCLSA-N 2 1 273.424 2.344 20 0 CEADMP COc1cc(C[N@H+](C)CCCc2c[nH+]cn2C)ccc1O ZINC000579849051 366714564 /nfs/dbraw/zinc/71/45/64/366714564.db2.gz HNPNCTAJVNIPEG-UHFFFAOYSA-N 2 1 289.379 2.199 20 0 CEADMP COc1cc(C[N@@H+](C)CCCc2c[nH+]cn2C)ccc1O ZINC000579849051 366714568 /nfs/dbraw/zinc/71/45/68/366714568.db2.gz HNPNCTAJVNIPEG-UHFFFAOYSA-N 2 1 289.379 2.199 20 0 CEADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237060570 370684776 /nfs/dbraw/zinc/68/47/76/370684776.db2.gz QFFOAALDXZUMOY-LJISPDSOSA-N 2 1 297.487 2.233 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000580084053 366747638 /nfs/dbraw/zinc/74/76/38/366747638.db2.gz KQXCELPFLHYEBZ-DZGCQCFKSA-N 2 1 282.815 2.100 20 0 CEADMP C[N@H+]1CCC[C@@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000154513016 366775829 /nfs/dbraw/zinc/77/58/29/366775829.db2.gz BDDODSSUILGDFK-QGZVFWFLSA-N 2 1 279.472 2.467 20 0 CEADMP CN1CCC[C@@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000154513016 366775836 /nfs/dbraw/zinc/77/58/36/366775836.db2.gz BDDODSSUILGDFK-QGZVFWFLSA-N 2 1 279.472 2.467 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cscn1 ZINC000678113891 541083234 /nfs/dbraw/zinc/08/32/34/541083234.db2.gz NHBOLYNYOGPWLF-JTQLQIEISA-N 2 1 250.371 2.389 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000019958762 361570119 /nfs/dbraw/zinc/57/01/19/361570119.db2.gz HWAZAFJVNZQKCR-GFCCVEGCSA-N 2 1 264.369 2.060 20 0 CEADMP C[C@H]1CCC[N@@H+](CCNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184224359 189380082 /nfs/dbraw/zinc/38/00/82/189380082.db2.gz FTZNASBLLWXPLU-HNNXBMFYSA-N 2 1 295.471 2.134 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184232889 189380665 /nfs/dbraw/zinc/38/06/65/189380665.db2.gz JSZQNEWBCWPXPM-OAHLLOKOSA-N 2 1 295.471 2.276 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000678608703 541158587 /nfs/dbraw/zinc/15/85/87/541158587.db2.gz RMWXUNDKZVFMKJ-IRXDYDNUSA-N 2 1 273.424 2.116 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414840045 283714368 /nfs/dbraw/zinc/71/43/68/283714368.db2.gz MCPGQSRHNFLMAT-ZDUSSCGKSA-N 2 1 270.417 2.073 20 0 CEADMP C[C@H](CCCCO)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000679335989 541258506 /nfs/dbraw/zinc/25/85/06/541258506.db2.gz JFXABLNTOQCCGQ-OAGGEKHMSA-N 2 1 286.460 2.017 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1sccc1Br ZINC000087576056 363861482 /nfs/dbraw/zinc/86/14/82/363861482.db2.gz AWJFZWJZDIVMTQ-MRVPVSSYSA-N 2 1 277.231 2.456 20 0 CEADMP CCn1cncc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000090170037 364044112 /nfs/dbraw/zinc/04/41/12/364044112.db2.gz QODDDDQYSNKGCO-UHFFFAOYSA-N 2 1 264.417 2.115 20 0 CEADMP CCCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090320551 364052518 /nfs/dbraw/zinc/05/25/18/364052518.db2.gz YNMQFAAZZXESLL-GASCZTMLSA-N 2 1 260.381 2.127 20 0 CEADMP CCCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090320551 364052524 /nfs/dbraw/zinc/05/25/24/364052524.db2.gz YNMQFAAZZXESLL-GASCZTMLSA-N 2 1 260.381 2.127 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000334638270 364115873 /nfs/dbraw/zinc/11/58/73/364115873.db2.gz MYOWPDCWXRPHGI-INIZCTEOSA-N 2 1 288.439 2.404 20 0 CEADMP C[N@H+](Cc1c[nH]nc1-c1cccnc1)CC1CC[NH+](C)CC1 ZINC000093089211 364139990 /nfs/dbraw/zinc/13/99/90/364139990.db2.gz DLACAAGRDZANDU-UHFFFAOYSA-N 2 1 299.422 2.245 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)N(C)C)C1 ZINC000356584206 370764432 /nfs/dbraw/zinc/76/44/32/370764432.db2.gz WQJJBTQBPYAKIU-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)N(C)C)C1 ZINC000356584206 370764439 /nfs/dbraw/zinc/76/44/39/370764439.db2.gz WQJJBTQBPYAKIU-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 ZINC000356584206 370764443 /nfs/dbraw/zinc/76/44/43/370764443.db2.gz WQJJBTQBPYAKIU-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)CC(C)(C)C[NH3+] ZINC000093873863 364236736 /nfs/dbraw/zinc/23/67/36/364236736.db2.gz JYWUUMJMHJKXQT-UHFFFAOYSA-N 2 1 272.396 2.289 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccc3ccccc3n2)CC[C@@H]1[NH3+] ZINC000094339034 364266095 /nfs/dbraw/zinc/26/60/95/364266095.db2.gz KYLDJIJPXZJZJC-WFASDCNBSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)CC[C@@H]1[NH3+] ZINC000094339034 364266104 /nfs/dbraw/zinc/26/61/04/364266104.db2.gz KYLDJIJPXZJZJC-WFASDCNBSA-N 2 1 255.365 2.404 20 0 CEADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCOC3)CC2)cc1 ZINC000095015552 364322632 /nfs/dbraw/zinc/32/26/32/364322632.db2.gz UQWIMSQWWCHQMS-KRWDZBQOSA-N 2 1 274.408 2.072 20 0 CEADMP Cc1ccncc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334867388 364279281 /nfs/dbraw/zinc/27/92/81/364279281.db2.gz DLJPPQCMEYAXFW-GOEBONIOSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334969670 364297344 /nfs/dbraw/zinc/29/73/44/364297344.db2.gz XGYOFFCUQOGBMV-DZGCQCFKSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334969670 364297353 /nfs/dbraw/zinc/29/73/53/364297353.db2.gz XGYOFFCUQOGBMV-DZGCQCFKSA-N 2 1 263.385 2.255 20 0 CEADMP C[C@H]([NH2+][C@H]1CCCOc2ccc(F)cc21)C1C[NH2+]C1 ZINC000335026001 364369705 /nfs/dbraw/zinc/36/97/05/364369705.db2.gz XWKWHSKXQHVXDT-HZMBPMFUSA-N 2 1 264.344 2.237 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000582056673 366855614 /nfs/dbraw/zinc/85/56/14/366855614.db2.gz RPYZJLMUCGWGJA-NSHDSACASA-N 2 1 252.358 2.051 20 0 CEADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@@H]1CCCC13CCOCC3)C2 ZINC000335373872 364695239 /nfs/dbraw/zinc/69/52/39/364695239.db2.gz RPHKNCHIIXGNHM-IUODEOHRSA-N 2 1 275.396 2.206 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000105480630 364700194 /nfs/dbraw/zinc/70/01/94/364700194.db2.gz ZIRWYKUASHNZDH-LRDDRELGSA-N 2 1 275.396 2.075 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(O)c1)CC[NH2+]CC2 ZINC000335542377 364800834 /nfs/dbraw/zinc/80/08/34/364800834.db2.gz BZTLBPKULBPANS-CYBMUJFWSA-N 2 1 260.381 2.356 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(Cl)cn23)CC[NH2+]1 ZINC000335639739 212354677 /nfs/dbraw/zinc/35/46/77/212354677.db2.gz LIXSPMQCAHLVDE-PWSUYJOCSA-N 2 1 278.787 2.218 20 0 CEADMP CC(C)Oc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000112204707 364778749 /nfs/dbraw/zinc/77/87/49/364778749.db2.gz NKHIRENBYGOXFV-HUUCEWRRSA-N 2 1 260.381 2.125 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000335634190 364817582 /nfs/dbraw/zinc/81/75/82/364817582.db2.gz NBIATBGXQXWFJE-CABCVRRESA-N 2 1 259.397 2.212 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000335631310 212345463 /nfs/dbraw/zinc/34/54/63/212345463.db2.gz AGADRCZEEPLLFE-HOTGVXAUSA-N 2 1 259.397 2.212 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000113655243 364908328 /nfs/dbraw/zinc/90/83/28/364908328.db2.gz ZJQVOIWGOYVFFC-OCCSQVGLSA-N 2 1 278.396 2.263 20 0 CEADMP C[N@H+]1CCCC12CCN(CC[C@@H]1CCCO1)CC2 ZINC000335756547 364936853 /nfs/dbraw/zinc/93/68/53/364936853.db2.gz SQFYLPSFGNCJAW-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CC[C@@H]1CCCO1)CC2 ZINC000335756547 364936856 /nfs/dbraw/zinc/93/68/56/364936856.db2.gz SQFYLPSFGNCJAW-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CC[C@@H]1CCCO1)CC2 ZINC000335756547 364936859 /nfs/dbraw/zinc/93/68/59/364936859.db2.gz SQFYLPSFGNCJAW-AWEZNQCLSA-N 2 1 252.402 2.116 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000335937513 365184947 /nfs/dbraw/zinc/18/49/47/365184947.db2.gz FQFYJPJIMCUXNU-HUUCEWRRSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1cccn(C(F)F)c1=O ZINC000638866515 370807495 /nfs/dbraw/zinc/80/74/95/370807495.db2.gz XRBICXASAOYTOZ-UHFFFAOYSA-N 2 1 287.354 2.065 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccn2C)C1 ZINC000120759314 365470947 /nfs/dbraw/zinc/47/09/47/365470947.db2.gz YLVRRMBNUNGYTM-HNNXBMFYSA-N 2 1 263.429 2.483 20 0 CEADMP CCOC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000340467178 366894826 /nfs/dbraw/zinc/89/48/26/366894826.db2.gz VBUDOKVRGJAARJ-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)C2CCCCC2)CC[N@H+]1C ZINC000340489518 366906541 /nfs/dbraw/zinc/90/65/41/366906541.db2.gz XLYBRZOGDIQDCR-BMFZPTHFSA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000582704300 366945758 /nfs/dbraw/zinc/94/57/58/366945758.db2.gz SEKDGLBIYZOWFZ-SJORKVTESA-N 2 1 278.440 2.252 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000582704300 366945762 /nfs/dbraw/zinc/94/57/62/366945762.db2.gz SEKDGLBIYZOWFZ-SJORKVTESA-N 2 1 278.440 2.252 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000582704300 366945765 /nfs/dbraw/zinc/94/57/65/366945765.db2.gz SEKDGLBIYZOWFZ-SJORKVTESA-N 2 1 278.440 2.252 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000582704300 366945768 /nfs/dbraw/zinc/94/57/68/366945768.db2.gz SEKDGLBIYZOWFZ-SJORKVTESA-N 2 1 278.440 2.252 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000582704299 366946043 /nfs/dbraw/zinc/94/60/43/366946043.db2.gz SEKDGLBIYZOWFZ-IRXDYDNUSA-N 2 1 278.440 2.252 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000582704299 366946047 /nfs/dbraw/zinc/94/60/47/366946047.db2.gz SEKDGLBIYZOWFZ-IRXDYDNUSA-N 2 1 278.440 2.252 20 0 CEADMP CC[C@@H](Cc1ccccc1)[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000582704299 366946051 /nfs/dbraw/zinc/94/60/51/366946051.db2.gz SEKDGLBIYZOWFZ-IRXDYDNUSA-N 2 1 278.440 2.252 20 0 CEADMP CC[C@@H](Cc1ccccc1)[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000582704299 366946053 /nfs/dbraw/zinc/94/60/53/366946053.db2.gz SEKDGLBIYZOWFZ-IRXDYDNUSA-N 2 1 278.440 2.252 20 0 CEADMP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000340524536 366921156 /nfs/dbraw/zinc/92/11/56/366921156.db2.gz JJXYLQBUVQXOBB-HZPDHXFCSA-N 2 1 293.459 2.014 20 0 CEADMP Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cn1 ZINC000680884648 541467815 /nfs/dbraw/zinc/46/78/15/541467815.db2.gz NNWQNXXQVKLXFV-QGZVFWFLSA-N 2 1 289.423 2.123 20 0 CEADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000582752864 366952973 /nfs/dbraw/zinc/95/29/73/366952973.db2.gz GGXGGFDSXLVQTL-SWLSCSKDSA-N 2 1 288.395 2.442 20 0 CEADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000572386906 299364081 /nfs/dbraw/zinc/36/40/81/299364081.db2.gz TUQOEVBJHIPICL-DLBZAZTESA-N 2 1 281.488 2.284 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000340673550 366979713 /nfs/dbraw/zinc/97/97/13/366979713.db2.gz JFGFZHJOXAVBCF-GDBMZVCRSA-N 2 1 266.429 2.125 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000583199585 367013901 /nfs/dbraw/zinc/01/39/01/367013901.db2.gz VITVMTHCWAQZDH-OLZOCXBDSA-N 2 1 296.377 2.257 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000583199585 367013907 /nfs/dbraw/zinc/01/39/07/367013907.db2.gz VITVMTHCWAQZDH-OLZOCXBDSA-N 2 1 296.377 2.257 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000583502201 367059256 /nfs/dbraw/zinc/05/92/56/367059256.db2.gz FCCJXTHMGVCQLF-VBQJREDUSA-N 2 1 295.471 2.001 20 0 CEADMP COc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1C ZINC000335560651 212267787 /nfs/dbraw/zinc/26/77/87/212267787.db2.gz KIUJILPZBCYJBL-UHFFFAOYSA-N 2 1 260.381 2.332 20 0 CEADMP COC(C[N@H+](C)C1CCN(Cc2ccccc2)CC1)OC ZINC000161826750 367114634 /nfs/dbraw/zinc/11/46/34/367114634.db2.gz CXGGFHLRPMYRPC-UHFFFAOYSA-N 2 1 292.423 2.202 20 0 CEADMP COc1cc(C[N@H+](C)CCC[NH3+])cc(Cl)c1OC ZINC000583934655 367117523 /nfs/dbraw/zinc/11/75/23/367117523.db2.gz PTPRZEBDRWWQRV-UHFFFAOYSA-N 2 1 272.776 2.138 20 0 CEADMP COc1cc(C[N@@H+](C)CCC[NH3+])cc(Cl)c1OC ZINC000583934655 367117528 /nfs/dbraw/zinc/11/75/28/367117528.db2.gz PTPRZEBDRWWQRV-UHFFFAOYSA-N 2 1 272.776 2.138 20 0 CEADMP Cc1nccn1CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245576879 370842844 /nfs/dbraw/zinc/84/28/44/370842844.db2.gz BDWMUNPFKXWICF-IRXDYDNUSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245576879 370842847 /nfs/dbraw/zinc/84/28/47/370842847.db2.gz BDWMUNPFKXWICF-IRXDYDNUSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245576879 370842850 /nfs/dbraw/zinc/84/28/50/370842850.db2.gz BDWMUNPFKXWICF-IRXDYDNUSA-N 2 1 290.455 2.388 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1F ZINC000163198196 367223797 /nfs/dbraw/zinc/22/37/97/367223797.db2.gz OUCKZSQOYOLVTL-JQWIXIFHSA-N 2 1 252.333 2.003 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1F ZINC000163198196 367223805 /nfs/dbraw/zinc/22/38/05/367223805.db2.gz OUCKZSQOYOLVTL-JQWIXIFHSA-N 2 1 252.333 2.003 20 0 CEADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C[NH+](C)C ZINC000341294659 367272718 /nfs/dbraw/zinc/27/27/18/367272718.db2.gz IBPPHMFQMUQGNU-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000163239835 367225252 /nfs/dbraw/zinc/22/52/52/367225252.db2.gz ZNCLJZMACRLNEU-NWDGAFQWSA-N 2 1 268.788 2.388 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000163249850 367227671 /nfs/dbraw/zinc/22/76/71/367227671.db2.gz JVKZNTXXXNQFBF-RYUDHWBXSA-N 2 1 268.788 2.388 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000163249850 367227674 /nfs/dbraw/zinc/22/76/74/367227674.db2.gz JVKZNTXXXNQFBF-RYUDHWBXSA-N 2 1 268.788 2.388 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Oc2cccnc2)C1 ZINC000163310066 367229855 /nfs/dbraw/zinc/22/98/55/367229855.db2.gz PETQTWYPKMTZLL-HOCLYGCPSA-N 2 1 275.396 2.019 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Oc2cccnc2)C1 ZINC000163310066 367229860 /nfs/dbraw/zinc/22/98/60/367229860.db2.gz PETQTWYPKMTZLL-HOCLYGCPSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000163310066 367229864 /nfs/dbraw/zinc/22/98/64/367229864.db2.gz PETQTWYPKMTZLL-HOCLYGCPSA-N 2 1 275.396 2.019 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000163310066 367229867 /nfs/dbraw/zinc/22/98/67/367229867.db2.gz PETQTWYPKMTZLL-HOCLYGCPSA-N 2 1 275.396 2.019 20 0 CEADMP Cn1ccnc1C[C@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000163339527 367232975 /nfs/dbraw/zinc/23/29/75/367232975.db2.gz JVGHHCMKFUGDAI-MRXNPFEDSA-N 2 1 290.455 2.161 20 0 CEADMP CC[N@H+]1CC[C@@H](CNCc2cncc(Br)c2)C1 ZINC000166873654 367330352 /nfs/dbraw/zinc/33/03/52/367330352.db2.gz WNVRHSCSIDAVNH-NSHDSACASA-N 2 1 298.228 2.276 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000166873654 367330360 /nfs/dbraw/zinc/33/03/60/367330360.db2.gz WNVRHSCSIDAVNH-NSHDSACASA-N 2 1 298.228 2.276 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000166873654 367330366 /nfs/dbraw/zinc/33/03/66/367330366.db2.gz WNVRHSCSIDAVNH-NSHDSACASA-N 2 1 298.228 2.276 20 0 CEADMP C[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000164568393 367290205 /nfs/dbraw/zinc/29/02/05/367290205.db2.gz OVUPPUOECPPSDM-STQMWFEESA-N 2 1 275.396 2.347 20 0 CEADMP COC1(C[NH2+]C2CC[NH+](C)CC2)CCC(C)CC1 ZINC000341358328 367301539 /nfs/dbraw/zinc/30/15/39/367301539.db2.gz FAGVMUFQTAGVFO-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000631579023 367415866 /nfs/dbraw/zinc/41/58/66/367415866.db2.gz CTZXYVVAOHAFTD-HOTGVXAUSA-N 2 1 266.429 2.408 20 0 CEADMP CCOC(=O)C[N@H+](CCCCn1cc[nH+]c1C)C1CCC1 ZINC000342654328 367471505 /nfs/dbraw/zinc/47/15/05/367471505.db2.gz FWQPPLKXRYEQCV-UHFFFAOYSA-N 2 1 293.411 2.389 20 0 CEADMP CCOC(=O)C[N@@H+](CCCCn1cc[nH+]c1C)C1CCC1 ZINC000342654328 367471510 /nfs/dbraw/zinc/47/15/10/367471510.db2.gz FWQPPLKXRYEQCV-UHFFFAOYSA-N 2 1 293.411 2.389 20 0 CEADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2O)CC1 ZINC000631676295 367480940 /nfs/dbraw/zinc/48/09/40/367480940.db2.gz YUIYHVSBZWYXRZ-CABCVRRESA-N 2 1 298.471 2.015 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342603475 367446296 /nfs/dbraw/zinc/44/62/96/367446296.db2.gz MNQRQPRSTGNFNI-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC[C@@H]1CCCO1 ZINC000342603475 367446306 /nfs/dbraw/zinc/44/63/06/367446306.db2.gz MNQRQPRSTGNFNI-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP Cc1cc(NCC2=CC[N@@H+](C)CC2)nc(C(C)C)n1 ZINC000342793485 367539456 /nfs/dbraw/zinc/53/94/56/367539456.db2.gz ZPLMMWUPHYOSRI-UHFFFAOYSA-N 2 1 260.385 2.004 20 0 CEADMP C(c1nc(C2CCC2)no1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000631827638 367566090 /nfs/dbraw/zinc/56/60/90/367566090.db2.gz SCJOLKGVLJIADD-ZIAGYGMSSA-N 2 1 290.411 2.159 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000631821668 367559930 /nfs/dbraw/zinc/55/99/30/367559930.db2.gz FQBNIJOUGFSVKP-ZIAGYGMSSA-N 2 1 274.408 2.319 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000631826148 367564003 /nfs/dbraw/zinc/56/40/03/367564003.db2.gz FZMAPWRYNPDVAR-ZFWWWQNUSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1cc(O)cc(F)c1)CC[NH2+]CC2 ZINC000335543043 212242574 /nfs/dbraw/zinc/24/25/74/212242574.db2.gz GPZIEOOKALZIAK-LBPRGKRZSA-N 2 1 278.371 2.495 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000631845037 367587155 /nfs/dbraw/zinc/58/71/55/367587155.db2.gz RQEINXBHOHZAGI-ZYHUDNBSSA-N 2 1 283.213 2.476 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000631845037 367587162 /nfs/dbraw/zinc/58/71/62/367587162.db2.gz RQEINXBHOHZAGI-ZYHUDNBSSA-N 2 1 283.213 2.476 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000335532980 212228799 /nfs/dbraw/zinc/22/87/99/212228799.db2.gz LBHFBSOCGYVZBK-TZMCWYRMSA-N 2 1 290.411 2.058 20 0 CEADMP FC(F)(F)COCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886622 367609515 /nfs/dbraw/zinc/60/95/15/367609515.db2.gz IKYKAIUPSHQASK-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886622 367609516 /nfs/dbraw/zinc/60/95/16/367609516.db2.gz IKYKAIUPSHQASK-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)[C@H]1CCCCO1 ZINC000631889198 367611407 /nfs/dbraw/zinc/61/14/07/367611407.db2.gz DFMWVDQNXQBOJP-RBSFLKMASA-N 2 1 252.402 2.020 20 0 CEADMP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)[C@H]1CCCCO1 ZINC000631889198 367611410 /nfs/dbraw/zinc/61/14/10/367611410.db2.gz DFMWVDQNXQBOJP-RBSFLKMASA-N 2 1 252.402 2.020 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000343275321 367739769 /nfs/dbraw/zinc/73/97/69/367739769.db2.gz TUVZERPAYCUNIE-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638950350 370868923 /nfs/dbraw/zinc/86/89/23/370868923.db2.gz MDAPAUXEVHUEHC-MGPQQGTHSA-N 2 1 292.427 2.030 20 0 CEADMP CC(C)CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)(C)C ZINC000343517173 367857999 /nfs/dbraw/zinc/85/79/99/367857999.db2.gz WMBPSNKVDSOYNZ-UONOGXRCSA-N 2 1 258.450 2.349 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000343575396 367894383 /nfs/dbraw/zinc/89/43/83/367894383.db2.gz RIRAUYKDHFTVRC-VVLHAWIVSA-N 2 1 281.488 2.284 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000343575396 367894387 /nfs/dbraw/zinc/89/43/87/367894387.db2.gz RIRAUYKDHFTVRC-VVLHAWIVSA-N 2 1 281.488 2.284 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000343575396 367894391 /nfs/dbraw/zinc/89/43/91/367894391.db2.gz RIRAUYKDHFTVRC-VVLHAWIVSA-N 2 1 281.488 2.284 20 0 CEADMP Cn1nnc2cc(C[NH2+]C3CC[NH+](C4CCC4)CC3)ccc21 ZINC000343762991 367992217 /nfs/dbraw/zinc/99/22/17/367992217.db2.gz JKYGCNRGYBGDLS-UHFFFAOYSA-N 2 1 299.422 2.075 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000682132690 541634863 /nfs/dbraw/zinc/63/48/63/541634863.db2.gz FNOGABALMOPVTN-YUELXQCFSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000344282681 368118712 /nfs/dbraw/zinc/11/87/12/368118712.db2.gz FSDGSCOJOZPBSZ-RBSFLKMASA-N 2 1 268.445 2.105 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc[nH]c2)[C@H](C)C1 ZINC000175710749 368166921 /nfs/dbraw/zinc/16/69/21/368166921.db2.gz ONAXHXFGIANOIR-ZBFHGGJFSA-N 2 1 279.428 2.241 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000345821562 368439174 /nfs/dbraw/zinc/43/91/74/368439174.db2.gz TVEOZSDSRYAWKU-VYDXJSESSA-N 2 1 295.471 2.275 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000345851916 368454154 /nfs/dbraw/zinc/45/41/54/368454154.db2.gz HIRSDCCZFQMJRK-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCC1(CC)[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C[C@H]1OC ZINC000181752088 368492480 /nfs/dbraw/zinc/49/24/80/368492480.db2.gz NJYFMDMLMYCZCA-HUUCEWRRSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccnn1C ZINC000682647823 541692812 /nfs/dbraw/zinc/69/28/12/541692812.db2.gz VAKNSKYNBYGGOF-XHSDSOJGSA-N 2 1 290.455 2.376 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000346277981 368618052 /nfs/dbraw/zinc/61/80/52/368618052.db2.gz NQURAZCJQUBQRN-BBRMVZONSA-N 2 1 279.428 2.358 20 0 CEADMP Cc1[nH+]ccn1CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000346312329 368632146 /nfs/dbraw/zinc/63/21/46/368632146.db2.gz PJCNGVQXKILQIY-CVEARBPZSA-N 2 1 276.428 2.139 20 0 CEADMP Cc1[nH+]ccn1CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000346312329 368632151 /nfs/dbraw/zinc/63/21/51/368632151.db2.gz PJCNGVQXKILQIY-CVEARBPZSA-N 2 1 276.428 2.139 20 0 CEADMP C[N@H+](Cc1cnc2ccc(Cl)cn12)CC(C)(C)C[NH3+] ZINC000346682692 368766903 /nfs/dbraw/zinc/76/69/03/368766903.db2.gz OQISFRDVEIVDEU-UHFFFAOYSA-N 2 1 280.803 2.404 20 0 CEADMP C[N@@H+](Cc1cnc2ccc(Cl)cn12)CC(C)(C)C[NH3+] ZINC000346682692 368766911 /nfs/dbraw/zinc/76/69/11/368766911.db2.gz OQISFRDVEIVDEU-UHFFFAOYSA-N 2 1 280.803 2.404 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(CC)(CC)CO)[C@H](C)C1 ZINC000246302957 370943744 /nfs/dbraw/zinc/94/37/44/370943744.db2.gz DFEDESFNSGAAKP-ZIAGYGMSSA-N 2 1 256.434 2.105 20 0 CEADMP COc1cc2c(c(C[N@H+](C)CC(C)(C)C[NH3+])c1)O[C@@H](C)C2 ZINC000346683423 368768991 /nfs/dbraw/zinc/76/89/91/368768991.db2.gz QZQBGNVJTVBSAJ-LBPRGKRZSA-N 2 1 292.423 2.435 20 0 CEADMP COc1cc2c(c(C[N@@H+](C)CC(C)(C)C[NH3+])c1)O[C@@H](C)C2 ZINC000346683423 368768994 /nfs/dbraw/zinc/76/89/94/368768994.db2.gz QZQBGNVJTVBSAJ-LBPRGKRZSA-N 2 1 292.423 2.435 20 0 CEADMP COc1c(C)cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1C ZINC000346688582 368771062 /nfs/dbraw/zinc/77/10/62/368771062.db2.gz XZFDRZPGUNRCKZ-ZFWWWQNUSA-N 2 1 262.397 2.481 20 0 CEADMP CC(C)Cn1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cn1 ZINC000346688636 368772066 /nfs/dbraw/zinc/77/20/66/368772066.db2.gz YEIBGOJYXLFINO-HNNXBMFYSA-N 2 1 266.433 2.344 20 0 CEADMP CC(C)Cn1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cn1 ZINC000346688636 368772074 /nfs/dbraw/zinc/77/20/74/368772074.db2.gz YEIBGOJYXLFINO-HNNXBMFYSA-N 2 1 266.433 2.344 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000346691044 368773445 /nfs/dbraw/zinc/77/34/45/368773445.db2.gz UVLGGALDPNROST-DGCLKSJQSA-N 2 1 284.350 2.500 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000346636966 368745123 /nfs/dbraw/zinc/74/51/23/368745123.db2.gz INOWIFOBFHETOQ-FZMZJTMJSA-N 2 1 264.417 2.079 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cnc21 ZINC000346651147 368752757 /nfs/dbraw/zinc/75/27/57/368752757.db2.gz GZBOFGYZMNFVPQ-OCCSQVGLSA-N 2 1 287.411 2.181 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000346660959 368757620 /nfs/dbraw/zinc/75/76/20/368757620.db2.gz AOQXQHDBHCYDTM-UMVBOHGHSA-N 2 1 262.397 2.468 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634685594 368813443 /nfs/dbraw/zinc/81/34/43/368813443.db2.gz QWBYLWODKGOJTO-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP N[C@@H]1C[N@H+](Cc2cccc3ncccc23)CC[C@H]1F ZINC000634688619 368816427 /nfs/dbraw/zinc/81/64/27/368816427.db2.gz YGMKFFXRCKIEFN-ZIAGYGMSSA-N 2 1 259.328 2.106 20 0 CEADMP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)O1 ZINC000634688379 368816986 /nfs/dbraw/zinc/81/69/86/368816986.db2.gz QNFNGQLKCHHVQG-KXNHARMFSA-N 2 1 280.334 2.013 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)O1 ZINC000634688379 368816989 /nfs/dbraw/zinc/81/69/89/368816989.db2.gz QNFNGQLKCHHVQG-KXNHARMFSA-N 2 1 280.334 2.013 20 0 CEADMP O[C@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634636764 368790828 /nfs/dbraw/zinc/79/08/28/368790828.db2.gz JSWORQSFQDFXNW-KRWDZBQOSA-N 2 1 274.408 2.109 20 0 CEADMP O[C@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634636764 368790833 /nfs/dbraw/zinc/79/08/33/368790833.db2.gz JSWORQSFQDFXNW-KRWDZBQOSA-N 2 1 274.408 2.109 20 0 CEADMP C([C@@H]1CCCO1)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000346992368 368795095 /nfs/dbraw/zinc/79/50/95/368795095.db2.gz AWBWSHHYCLICFL-HOCLYGCPSA-N 2 1 266.429 2.410 20 0 CEADMP c1ccc(OC[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000347001825 368795228 /nfs/dbraw/zinc/79/52/28/368795228.db2.gz IGPNGOWKEWXNBO-HZPDHXFCSA-N 2 1 274.408 2.387 20 0 CEADMP O[C@]1(C[NH2+]CCCC2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634649843 368795761 /nfs/dbraw/zinc/79/57/61/368795761.db2.gz WDXWYRIKMVOZGD-SFHVURJKSA-N 2 1 288.435 2.403 20 0 CEADMP O[C@]1(C[NH2+]CCCC2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649843 368795765 /nfs/dbraw/zinc/79/57/65/368795765.db2.gz WDXWYRIKMVOZGD-SFHVURJKSA-N 2 1 288.435 2.403 20 0 CEADMP C[N@@H+](CCNC(=O)CC1(C[NH3+])CCCCC1)C1CCCC1 ZINC000185357014 368796014 /nfs/dbraw/zinc/79/60/14/368796014.db2.gz ZUETYRWWTZFHFF-UHFFFAOYSA-N 2 1 295.471 2.276 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@]1(C)C1CCCCC1)C1CC1 ZINC000634652332 368799312 /nfs/dbraw/zinc/79/93/12/368799312.db2.gz NWUMMEDGWANVTQ-IRXDYDNUSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@]1(C)C1CCCCC1)C1CC1 ZINC000634652332 368799316 /nfs/dbraw/zinc/79/93/16/368799316.db2.gz NWUMMEDGWANVTQ-IRXDYDNUSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@]1(C)C1CCCCC1)C1CC1 ZINC000634652332 368799321 /nfs/dbraw/zinc/79/93/21/368799321.db2.gz NWUMMEDGWANVTQ-IRXDYDNUSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@]1(C)C1CCCCC1)C1CC1 ZINC000634652332 368799327 /nfs/dbraw/zinc/79/93/27/368799327.db2.gz NWUMMEDGWANVTQ-IRXDYDNUSA-N 2 1 280.456 2.486 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)c2c1C ZINC000634810869 368899721 /nfs/dbraw/zinc/89/97/21/368899721.db2.gz LBZLGMAIYJQDBB-CWSCBRNRSA-N 2 1 287.411 2.384 20 0 CEADMP CC[C@H]1CC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000348114601 368904254 /nfs/dbraw/zinc/90/42/54/368904254.db2.gz SYZFHIJUHUTHGF-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP COc1cc(C)ccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000449034206 261115909 /nfs/dbraw/zinc/11/59/09/261115909.db2.gz IQKNNMQDNYSTCM-CQSZACIVSA-N 2 1 262.397 2.387 20 0 CEADMP COc1cc(C)ccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000449034206 261115910 /nfs/dbraw/zinc/11/59/10/261115910.db2.gz IQKNNMQDNYSTCM-CQSZACIVSA-N 2 1 262.397 2.387 20 0 CEADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000348127441 368909683 /nfs/dbraw/zinc/90/96/83/368909683.db2.gz RYLKOVKRXWIXIB-FGTMMUONSA-N 2 1 288.435 2.402 20 0 CEADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000348127441 368909686 /nfs/dbraw/zinc/90/96/86/368909686.db2.gz RYLKOVKRXWIXIB-FGTMMUONSA-N 2 1 288.435 2.402 20 0 CEADMP CCn1cc(CC[N@@H+](C)C2CC[NH+](C(C)C)CC2)cn1 ZINC000348271435 368979027 /nfs/dbraw/zinc/97/90/27/368979027.db2.gz MQCPSQNTPRQKKW-UHFFFAOYSA-N 2 1 278.444 2.250 20 0 CEADMP Nc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)n2)cc1 ZINC000634991309 369019790 /nfs/dbraw/zinc/01/97/90/369019790.db2.gz YSMYCKDPTICWTL-UHFFFAOYSA-N 2 1 282.391 2.254 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000634998350 369029426 /nfs/dbraw/zinc/02/94/26/369029426.db2.gz DODVFMMHNPULAO-VXGBXAGGSA-N 2 1 282.457 2.016 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000634998350 369029428 /nfs/dbraw/zinc/02/94/28/369029428.db2.gz DODVFMMHNPULAO-VXGBXAGGSA-N 2 1 282.457 2.016 20 0 CEADMP CC(C)c1ccc(CC[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000635001310 369036380 /nfs/dbraw/zinc/03/63/80/369036380.db2.gz NVGSEXAUMGAMAB-UHFFFAOYSA-N 2 1 290.451 2.399 20 0 CEADMP CC[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccn(C)n1 ZINC000635004067 369040045 /nfs/dbraw/zinc/04/00/45/369040045.db2.gz CYQBOCVDFDGTNY-JKSUJKDBSA-N 2 1 286.423 2.421 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)c2nccn21 ZINC000635006952 369042980 /nfs/dbraw/zinc/04/29/80/369042980.db2.gz NFSKUOUXZGNTKF-VNQPRFMTSA-N 2 1 284.407 2.439 20 0 CEADMP c1cnc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)ccc2n1 ZINC000634953035 368986466 /nfs/dbraw/zinc/98/64/66/368986466.db2.gz PFMFSXRGOJCAMX-NVXWUHKLSA-N 2 1 282.391 2.346 20 0 CEADMP c1cnc2cc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)ccc2n1 ZINC000634953035 368986472 /nfs/dbraw/zinc/98/64/72/368986472.db2.gz PFMFSXRGOJCAMX-NVXWUHKLSA-N 2 1 282.391 2.346 20 0 CEADMP CC(C)[C@H]1CN([C@H]2C[C@@H]([NH3+])c3ccccc32)CC[N@H+]1C ZINC000635013801 369053330 /nfs/dbraw/zinc/05/33/30/369053330.db2.gz VVMNLDRQKDIFNC-IXDOHACOSA-N 2 1 273.424 2.403 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCc1cccc(F)c1 ZINC000348756336 369144084 /nfs/dbraw/zinc/14/40/84/369144084.db2.gz NNMISWHXKNRJHI-GXTWGEPZSA-N 2 1 250.361 2.427 20 0 CEADMP CC[C@]1(CO)CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000187532190 369174128 /nfs/dbraw/zinc/17/41/28/369174128.db2.gz DOUIPEKSBTZRFD-INIZCTEOSA-N 2 1 279.428 2.456 20 0 CEADMP CC[C@]1(CO)CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000187532190 369174137 /nfs/dbraw/zinc/17/41/37/369174137.db2.gz DOUIPEKSBTZRFD-INIZCTEOSA-N 2 1 279.428 2.456 20 0 CEADMP C[NH+](C)CCc1ccc(NC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000635488994 369191204 /nfs/dbraw/zinc/19/12/04/369191204.db2.gz IHQULVKCGDYJTA-OAHLLOKOSA-N 2 1 289.423 2.071 20 0 CEADMP C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C[NH+](C)C ZINC000635606438 369243966 /nfs/dbraw/zinc/24/39/66/369243966.db2.gz RWNJUUWWGFMDIX-ZDUSSCGKSA-N 2 1 285.476 2.057 20 0 CEADMP C[N@@H+](CCCNC(=O)c1coc(C[NH3+])c1)C1CCCCC1 ZINC000188074616 369290271 /nfs/dbraw/zinc/29/02/71/369290271.db2.gz QZUQIRQDRQSSHL-UHFFFAOYSA-N 2 1 293.411 2.123 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](CC)CC1=CCCOC1 ZINC000349359300 369309682 /nfs/dbraw/zinc/30/96/82/369309682.db2.gz ZNQCERDTYGNFLQ-UHFFFAOYSA-N 2 1 254.418 2.387 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCSC1 ZINC000349381958 369315795 /nfs/dbraw/zinc/31/57/95/369315795.db2.gz IYDFSDDJZKMMEK-ZDUSSCGKSA-N 2 1 253.415 2.267 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCSC1 ZINC000349381958 369315799 /nfs/dbraw/zinc/31/57/99/369315799.db2.gz IYDFSDDJZKMMEK-ZDUSSCGKSA-N 2 1 253.415 2.267 20 0 CEADMP Cc1ncc([C@@H](C)N(C)C[C@H]2CC[N@@H+](C)C2)c(C)n1 ZINC000639079939 370953282 /nfs/dbraw/zinc/95/32/82/370953282.db2.gz HIOTXPBLLCPWPK-OCCSQVGLSA-N 2 1 262.401 2.038 20 0 CEADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358249661 370971042 /nfs/dbraw/zinc/97/10/42/370971042.db2.gz KTEMPUYCWCPWQT-PBHICJAKSA-N 2 1 292.423 2.191 20 0 CEADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358249661 370971050 /nfs/dbraw/zinc/97/10/50/370971050.db2.gz KTEMPUYCWCPWQT-PBHICJAKSA-N 2 1 292.423 2.191 20 0 CEADMP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358256078 370975811 /nfs/dbraw/zinc/97/58/11/370975811.db2.gz RGPHZHRTKNAFMG-CVEARBPZSA-N 2 1 262.397 2.040 20 0 CEADMP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358256078 370975821 /nfs/dbraw/zinc/97/58/21/370975821.db2.gz RGPHZHRTKNAFMG-CVEARBPZSA-N 2 1 262.397 2.040 20 0 CEADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358257602 370976047 /nfs/dbraw/zinc/97/60/47/370976047.db2.gz SEFJJBZPZPQLOP-MSOLQXFVSA-N 2 1 290.451 2.300 20 0 CEADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358257602 370976050 /nfs/dbraw/zinc/97/60/50/370976050.db2.gz SEFJJBZPZPQLOP-MSOLQXFVSA-N 2 1 290.451 2.300 20 0 CEADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC000358264668 370981092 /nfs/dbraw/zinc/98/10/92/370981092.db2.gz YSVFXAOFQQZKFV-LSDHHAIUSA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC000358264668 370981097 /nfs/dbraw/zinc/98/10/97/370981097.db2.gz YSVFXAOFQQZKFV-LSDHHAIUSA-N 2 1 254.418 2.002 20 0 CEADMP CCn1nccc1CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000351494385 369637054 /nfs/dbraw/zinc/63/70/54/369637054.db2.gz RCTGSKWUPUEVMV-OAHLLOKOSA-N 2 1 278.444 2.252 20 0 CEADMP CCn1nccc1CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000351494385 369637062 /nfs/dbraw/zinc/63/70/62/369637062.db2.gz RCTGSKWUPUEVMV-OAHLLOKOSA-N 2 1 278.444 2.252 20 0 CEADMP CCn1nccc1CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000351494385 369637066 /nfs/dbraw/zinc/63/70/66/369637066.db2.gz RCTGSKWUPUEVMV-OAHLLOKOSA-N 2 1 278.444 2.252 20 0 CEADMP CCn1nccc1CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000351494385 369637070 /nfs/dbraw/zinc/63/70/70/369637070.db2.gz RCTGSKWUPUEVMV-OAHLLOKOSA-N 2 1 278.444 2.252 20 0 CEADMP c1cn(-c2ccccc2)c(CNC[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000190754199 369649245 /nfs/dbraw/zinc/64/92/45/369649245.db2.gz SXOZPDGFVWHLJH-OAHLLOKOSA-N 2 1 296.418 2.446 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000352177832 369664623 /nfs/dbraw/zinc/66/46/23/369664623.db2.gz GPQZGQBJVFIFFD-JKSUJKDBSA-N 2 1 297.487 2.390 20 0 CEADMP Cc1ccccc1C[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000352342880 369679896 /nfs/dbraw/zinc/67/98/96/369679896.db2.gz ZROGSYULWSJTJC-YJBOKZPZSA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccccc1C[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000352342880 369679900 /nfs/dbraw/zinc/67/99/00/369679900.db2.gz ZROGSYULWSJTJC-YJBOKZPZSA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccccc1C[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000352342880 369679902 /nfs/dbraw/zinc/67/99/02/369679902.db2.gz ZROGSYULWSJTJC-YJBOKZPZSA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccccc1C[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352342880 369679904 /nfs/dbraw/zinc/67/99/04/369679904.db2.gz ZROGSYULWSJTJC-YJBOKZPZSA-N 2 1 290.451 2.313 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000352462200 369741935 /nfs/dbraw/zinc/74/19/35/369741935.db2.gz RFVDENMEXPINJF-KKUMJFAQSA-N 2 1 283.460 2.096 20 0 CEADMP CC[C@@]1(CO)CCC[N@H+]1Cc1cccc2nccn21 ZINC000191957748 369757253 /nfs/dbraw/zinc/75/72/53/369757253.db2.gz QZBPTOWEKQRTBV-HNNXBMFYSA-N 2 1 259.353 2.071 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c(cccc3OC)C2)C1 ZINC000192439554 369812407 /nfs/dbraw/zinc/81/24/07/369812407.db2.gz QBPPANMLZUWPCH-GDBMZVCRSA-N 2 1 288.435 2.484 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC[C@H]1CCC[N@H+]1C ZINC000352789604 369878956 /nfs/dbraw/zinc/87/89/56/369878956.db2.gz CIHLRRMXCZQXDV-OAGGEKHMSA-N 2 1 265.445 2.029 20 0 CEADMP CCc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000352792331 369880325 /nfs/dbraw/zinc/88/03/25/369880325.db2.gz LVZOIZYSIJKWBR-CQSZACIVSA-N 2 1 259.397 2.218 20 0 CEADMP Cn1nnc2cc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)ccc21 ZINC000352916452 369947671 /nfs/dbraw/zinc/94/76/71/369947671.db2.gz TZQGYBQREKSCGU-YIONKMFJSA-N 2 1 299.422 2.025 20 0 CEADMP Cn1nnc2cc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc21 ZINC000352916452 369947676 /nfs/dbraw/zinc/94/76/76/369947676.db2.gz TZQGYBQREKSCGU-YIONKMFJSA-N 2 1 299.422 2.025 20 0 CEADMP Cn1nnc2cc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc21 ZINC000352916452 369947681 /nfs/dbraw/zinc/94/76/81/369947681.db2.gz TZQGYBQREKSCGU-YIONKMFJSA-N 2 1 299.422 2.025 20 0 CEADMP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000193969227 369996619 /nfs/dbraw/zinc/99/66/19/369996619.db2.gz AMSVFGBAOIZXAD-MWQQHZPXSA-N 2 1 290.451 2.408 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C(C)C ZINC000353521152 370114841 /nfs/dbraw/zinc/11/48/41/370114841.db2.gz PGDONSDTGRUWFB-APIJFGDWSA-N 2 1 254.418 2.120 20 0 CEADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(O)c1 ZINC000194884707 370084804 /nfs/dbraw/zinc/08/48/04/370084804.db2.gz JGHIATBSPSDPBC-HNNXBMFYSA-N 2 1 291.439 2.070 20 0 CEADMP C[NH+]1CCC(CC[NH2+][C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195026421 370097749 /nfs/dbraw/zinc/09/77/49/370097749.db2.gz QXRAEXHYTHRAEP-INIZCTEOSA-N 2 1 299.422 2.216 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)C1 ZINC000354145575 370233492 /nfs/dbraw/zinc/23/34/92/370233492.db2.gz DOTIYWNOPTTZPJ-XUWVNRHRSA-N 2 1 296.455 2.286 20 0 CEADMP Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000638028910 370253945 /nfs/dbraw/zinc/25/39/45/370253945.db2.gz KLHPXKGORKNGTR-OAHLLOKOSA-N 2 1 276.428 2.145 20 0 CEADMP C[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)C(C)(C)C[NH+](C)C ZINC000354064948 370201850 /nfs/dbraw/zinc/20/18/50/370201850.db2.gz KJVJJXIJXDUGLJ-LSDHHAIUSA-N 2 1 297.487 2.343 20 0 CEADMP C(C[C@H]1CCO1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000638122174 370318142 /nfs/dbraw/zinc/31/81/42/370318142.db2.gz LTIVRXWFKUQQQR-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CCc2ccccn2)C[C@@H]1C ZINC000354221901 370267298 /nfs/dbraw/zinc/26/72/98/370267298.db2.gz HQIMOENURBCHOD-HOCLYGCPSA-N 2 1 261.413 2.429 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccccn2)C[C@@H]1C ZINC000354221901 370267302 /nfs/dbraw/zinc/26/73/02/370267302.db2.gz HQIMOENURBCHOD-HOCLYGCPSA-N 2 1 261.413 2.429 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccccn2)C[C@@H]1C ZINC000354221901 370267306 /nfs/dbraw/zinc/26/73/06/370267306.db2.gz HQIMOENURBCHOD-HOCLYGCPSA-N 2 1 261.413 2.429 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(O)cc(F)c1 ZINC000223555210 370267562 /nfs/dbraw/zinc/26/75/62/370267562.db2.gz ZEJQQKUFKKBHAV-ZDUSSCGKSA-N 2 1 252.333 2.235 20 0 CEADMP CC1CC[NH+](CC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000354336107 370322479 /nfs/dbraw/zinc/32/24/79/370322479.db2.gz VSIKKHHJPXRYEJ-IYBDPMFKSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638112102 370309649 /nfs/dbraw/zinc/30/96/49/370309649.db2.gz QCFOQMQGQPNHKH-CQSZACIVSA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CCOCC2)[C@@H](C)C1 ZINC000638113960 370311521 /nfs/dbraw/zinc/31/15/21/370311521.db2.gz ROVRPGCJAFVQIJ-XIRDDKMYSA-N 2 1 298.471 2.090 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)C2CCOCC2)[C@@H](C)C1 ZINC000638113960 370311526 /nfs/dbraw/zinc/31/15/26/370311526.db2.gz ROVRPGCJAFVQIJ-XIRDDKMYSA-N 2 1 298.471 2.090 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)C2CCOCC2)[C@@H](C)C1 ZINC000638113960 370311532 /nfs/dbraw/zinc/31/15/32/370311532.db2.gz ROVRPGCJAFVQIJ-XIRDDKMYSA-N 2 1 298.471 2.090 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccn(C(F)F)c2=O)CC[N@@H+]1C ZINC000638115216 370313710 /nfs/dbraw/zinc/31/37/10/370313710.db2.gz BSVSIQKKIAYPCX-YPMHNXCESA-N 2 1 299.365 2.158 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccn(C(F)F)c2=O)CC[N@H+]1C ZINC000638115216 370313715 /nfs/dbraw/zinc/31/37/15/370313715.db2.gz BSVSIQKKIAYPCX-YPMHNXCESA-N 2 1 299.365 2.158 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccn(C(F)F)c2=O)CC[NH+]1C ZINC000638115216 370313718 /nfs/dbraw/zinc/31/37/18/370313718.db2.gz BSVSIQKKIAYPCX-YPMHNXCESA-N 2 1 299.365 2.158 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccn(C(F)F)c2=O)CC[NH+]1C ZINC000638115216 370313722 /nfs/dbraw/zinc/31/37/22/370313722.db2.gz BSVSIQKKIAYPCX-YPMHNXCESA-N 2 1 299.365 2.158 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC[C@@H]1CC ZINC000354444656 370366721 /nfs/dbraw/zinc/36/67/21/370366721.db2.gz LBMCEKJFJXXIEP-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000354492130 370385600 /nfs/dbraw/zinc/38/56/00/370385600.db2.gz DMEXOUNQQLSGDI-AGUYFDCRSA-N 2 1 282.428 2.181 20 0 CEADMP CC[N@@H+]1CC[C@H](N(C)c2[nH+]cnc3[nH]ccc32)C[C@H]1C ZINC000354355924 370330315 /nfs/dbraw/zinc/33/03/15/370330315.db2.gz YKNWBFWWLOIJAH-NEPJUHHUSA-N 2 1 273.384 2.267 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)c2[nH+]cnc3[nH]ccc32)C[C@H]1C ZINC000354355924 370330320 /nfs/dbraw/zinc/33/03/20/370330320.db2.gz YKNWBFWWLOIJAH-NEPJUHHUSA-N 2 1 273.384 2.267 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228536308 370405176 /nfs/dbraw/zinc/40/51/76/370405176.db2.gz BJTDZXISDKSEMC-NUEKZKHPSA-N 2 1 260.381 2.254 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]21 ZINC000230126181 370440469 /nfs/dbraw/zinc/44/04/69/370440469.db2.gz DMOYZABDFABXIF-QLFBSQMISA-N 2 1 288.391 2.017 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)ns2)C1 ZINC000638410310 370510071 /nfs/dbraw/zinc/51/00/71/370510071.db2.gz ZBWXPCAMYCBWAI-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)ns2)C1 ZINC000638410310 370510079 /nfs/dbraw/zinc/51/00/79/370510079.db2.gz ZBWXPCAMYCBWAI-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP Nc1c(F)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000638378580 370485271 /nfs/dbraw/zinc/48/52/71/370485271.db2.gz YUHOXQZUICCCAC-OLZOCXBDSA-N 2 1 263.360 2.124 20 0 CEADMP Nc1c(F)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000638378580 370485276 /nfs/dbraw/zinc/48/52/76/370485276.db2.gz YUHOXQZUICCCAC-OLZOCXBDSA-N 2 1 263.360 2.124 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC2(COC)CCC2)C1 ZINC000638449749 370538461 /nfs/dbraw/zinc/53/84/61/370538461.db2.gz FMRKHXJUJZIEIE-AWEZNQCLSA-N 2 1 254.418 2.125 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@]2(OC)CCOC2)c1 ZINC000638563902 370606802 /nfs/dbraw/zinc/60/68/02/370606802.db2.gz SYZDBSWOLKFTAY-QGZVFWFLSA-N 2 1 292.423 2.033 20 0 CEADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000638588032 370622226 /nfs/dbraw/zinc/62/22/26/370622226.db2.gz JJCGQWKQPBGZLQ-SJORKVTESA-N 2 1 276.424 2.176 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000356279844 370639351 /nfs/dbraw/zinc/63/93/51/370639351.db2.gz JVXNGJCQLKSEPX-YOEHRIQHSA-N 2 1 291.439 2.136 20 0 CEADMP c1ccc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000358296887 371000103 /nfs/dbraw/zinc/00/01/03/371000103.db2.gz FTVPREZWEPNLAR-CVEARBPZSA-N 2 1 259.397 2.231 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)C1 ZINC000638566718 370608717 /nfs/dbraw/zinc/60/87/17/370608717.db2.gz OEJIPZWGHPOXPN-OWCLPIDISA-N 2 1 295.471 2.144 20 0 CEADMP Cc1[nH+]ccc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1Cl ZINC000355686811 370611276 /nfs/dbraw/zinc/61/12/76/370611276.db2.gz VOBLYTCUTHCSDR-NSHDSACASA-N 2 1 297.830 2.325 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000247038741 371052895 /nfs/dbraw/zinc/05/28/95/371052895.db2.gz OBGRWLSBNFBBIK-OAGGEKHMSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000247038741 371052901 /nfs/dbraw/zinc/05/29/01/371052901.db2.gz OBGRWLSBNFBBIK-OAGGEKHMSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000247038741 371052904 /nfs/dbraw/zinc/05/29/04/371052904.db2.gz OBGRWLSBNFBBIK-OAGGEKHMSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000247038741 371052908 /nfs/dbraw/zinc/05/29/08/371052908.db2.gz OBGRWLSBNFBBIK-OAGGEKHMSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000247038741 371052917 /nfs/dbraw/zinc/05/29/17/371052917.db2.gz OBGRWLSBNFBBIK-OAGGEKHMSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000247038741 371052920 /nfs/dbraw/zinc/05/29/20/371052920.db2.gz OBGRWLSBNFBBIK-OAGGEKHMSA-N 3 1 267.461 2.179 20 0 CEADMP C([C@H]1CC[N@H+](C[C@H]2CCCCO2)C1)[NH+]1CCCCC1 ZINC000246813579 371015147 /nfs/dbraw/zinc/01/51/47/371015147.db2.gz AAUWLFIUOGESFJ-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(O)c2)[C@@H](C)C1 ZINC000246836250 371018697 /nfs/dbraw/zinc/01/86/97/371018697.db2.gz DECWTFHYYHGIGD-GXTWGEPZSA-N 2 1 278.396 2.221 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(O)c2)[C@@H](C)C1 ZINC000246836250 371018700 /nfs/dbraw/zinc/01/87/00/371018700.db2.gz DECWTFHYYHGIGD-GXTWGEPZSA-N 2 1 278.396 2.221 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000358405712 371051881 /nfs/dbraw/zinc/05/18/81/371051881.db2.gz QDCMUBOMEUDVCP-LLGZUXRYSA-N 2 1 292.427 2.334 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000358405712 371051882 /nfs/dbraw/zinc/05/18/82/371051882.db2.gz QDCMUBOMEUDVCP-LLGZUXRYSA-N 2 1 292.427 2.334 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCNc2ccccn2)[C@@H](C)C1 ZINC000246934791 371032986 /nfs/dbraw/zinc/03/29/86/371032986.db2.gz GQTAVTXHAQIYIG-LSDHHAIUSA-N 2 1 276.428 2.204 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCNc2ccc3ccccc3n2)CC[N@H+]1C ZINC000358406191 371052140 /nfs/dbraw/zinc/05/21/40/371052140.db2.gz SDTSCVICSVHZLD-ZBFHGGJFSA-N 2 1 298.434 2.141 20 0 CEADMP COCC[NH+]1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000358371082 371036679 /nfs/dbraw/zinc/03/66/79/371036679.db2.gz UFAIAXBOPQSGDZ-UHFFFAOYSA-N 2 1 276.371 2.265 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccn2C)[C@@H](C)C1 ZINC000247064465 371057828 /nfs/dbraw/zinc/05/78/28/371057828.db2.gz MGMQDUAKLDBMIO-DOTOQJQBSA-N 2 1 293.455 2.252 20 0 CEADMP CO[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)C1CCCC1 ZINC000639179408 371060627 /nfs/dbraw/zinc/06/06/27/371060627.db2.gz SRHQCGJVOFJGFO-NUEKZKHPSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)C1CCCC1 ZINC000639179408 371060631 /nfs/dbraw/zinc/06/06/31/371060631.db2.gz SRHQCGJVOFJGFO-NUEKZKHPSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C)C1CCCC1 ZINC000639179408 371060635 /nfs/dbraw/zinc/06/06/35/371060635.db2.gz SRHQCGJVOFJGFO-NUEKZKHPSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)C1CCCC1 ZINC000639179408 371060638 /nfs/dbraw/zinc/06/06/38/371060638.db2.gz SRHQCGJVOFJGFO-NUEKZKHPSA-N 2 1 268.445 2.464 20 0 CEADMP CC(=O)Nc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000639180263 371060881 /nfs/dbraw/zinc/06/08/81/371060881.db2.gz WBRTZCZMLOFKHF-GUYCJALGSA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000639180263 371060884 /nfs/dbraw/zinc/06/08/84/371060884.db2.gz WBRTZCZMLOFKHF-GUYCJALGSA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000639180263 371060887 /nfs/dbraw/zinc/06/08/87/371060887.db2.gz WBRTZCZMLOFKHF-GUYCJALGSA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000639180263 371060890 /nfs/dbraw/zinc/06/08/90/371060890.db2.gz WBRTZCZMLOFKHF-GUYCJALGSA-N 2 1 289.423 2.417 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)sc1C ZINC000247119495 371068048 /nfs/dbraw/zinc/06/80/48/371068048.db2.gz PPHLBPCDMOOZPX-GXFFZTMASA-N 2 1 267.442 2.375 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639189791 371070459 /nfs/dbraw/zinc/07/04/59/371070459.db2.gz QZAZMPPUYLKSMC-KFWWJZLASA-N 2 1 283.460 2.144 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639189791 371070461 /nfs/dbraw/zinc/07/04/61/371070461.db2.gz QZAZMPPUYLKSMC-KFWWJZLASA-N 2 1 283.460 2.144 20 0 CEADMP CCC[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)OC ZINC000639206519 371094533 /nfs/dbraw/zinc/09/45/33/371094533.db2.gz AFCINBYRRIIBBC-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)OC ZINC000639206519 371094537 /nfs/dbraw/zinc/09/45/37/371094537.db2.gz AFCINBYRRIIBBC-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)OC ZINC000639206519 371094540 /nfs/dbraw/zinc/09/45/40/371094540.db2.gz AFCINBYRRIIBBC-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC000358606118 371135961 /nfs/dbraw/zinc/13/59/61/371135961.db2.gz VRKZUBIZZILBEW-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)CC[N@H+]1C ZINC000639236507 371129929 /nfs/dbraw/zinc/12/99/29/371129929.db2.gz SOGOARREMIJHBY-KBMXLJTQSA-N 2 1 299.422 2.009 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@]12CCCO2 ZINC000639257544 371157483 /nfs/dbraw/zinc/15/74/83/371157483.db2.gz OUBOGKCXZRCIGE-YLFCFFPRSA-N 2 1 296.455 2.035 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000247969178 371150900 /nfs/dbraw/zinc/15/09/00/371150900.db2.gz HCVYEUFDRAVDOF-GOEBONIOSA-N 2 1 289.423 2.335 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC2CCSCC2)C1 ZINC000639256693 371156002 /nfs/dbraw/zinc/15/60/02/371156002.db2.gz DJILVHOPWPHHKL-AWEZNQCLSA-N 2 1 256.459 2.451 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]CCC2CCOCC2)C1 ZINC000639259510 371159074 /nfs/dbraw/zinc/15/90/74/371159074.db2.gz QKIQOROQAPDRTM-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1cccn(C(F)F)c1=O ZINC000639302152 371206255 /nfs/dbraw/zinc/20/62/55/371206255.db2.gz CWWIJDUTJWMHJS-GFCCVEGCSA-N 2 1 299.365 2.206 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1CNCc1cccn(C(F)F)c1=O ZINC000639302152 371206258 /nfs/dbraw/zinc/20/62/58/371206258.db2.gz CWWIJDUTJWMHJS-GFCCVEGCSA-N 2 1 299.365 2.206 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC3CCCC3)CC[C@H]21 ZINC000248875546 371260157 /nfs/dbraw/zinc/26/01/57/371260157.db2.gz FFEYVOKPSSHPLQ-BRWVUGGUSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)CC3CCCC3)CC[C@H]21 ZINC000248875546 371260159 /nfs/dbraw/zinc/26/01/59/371260159.db2.gz FFEYVOKPSSHPLQ-BRWVUGGUSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)CC3CCCC3)CC[C@H]21 ZINC000248875546 371260162 /nfs/dbraw/zinc/26/01/62/371260162.db2.gz FFEYVOKPSSHPLQ-BRWVUGGUSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(F)c2N)C1 ZINC000639346608 371260142 /nfs/dbraw/zinc/26/01/42/371260142.db2.gz HPRPAZIAPZIIQN-GFCCVEGCSA-N 2 1 265.376 2.229 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(F)c2N)C1 ZINC000639346608 371260145 /nfs/dbraw/zinc/26/01/45/371260145.db2.gz HPRPAZIAPZIIQN-GFCCVEGCSA-N 2 1 265.376 2.229 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](C)OC)CC1 ZINC000639376146 371285536 /nfs/dbraw/zinc/28/55/36/371285536.db2.gz VZYIXJPQFOSKCQ-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](C)O2)[C@@H](C)C1 ZINC000248885281 371262572 /nfs/dbraw/zinc/26/25/72/371262572.db2.gz HBCXBFQEOJIXLX-AJNGGQMLSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[C@H](C)O2)[C@@H](C)C1 ZINC000248885281 371262578 /nfs/dbraw/zinc/26/25/78/371262578.db2.gz HBCXBFQEOJIXLX-AJNGGQMLSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[C@H](C)O2)[C@@H](C)C1 ZINC000248885281 371262587 /nfs/dbraw/zinc/26/25/87/371262587.db2.gz HBCXBFQEOJIXLX-AJNGGQMLSA-N 2 1 254.418 2.216 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](C)[NH+](CC)CC)C1(C(=O)OC)CCC1 ZINC000359026759 371308124 /nfs/dbraw/zinc/30/81/24/371308124.db2.gz FELVTSRMIOFSIY-ZIAGYGMSSA-N 2 1 284.444 2.428 20 0 CEADMP O=c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc[nH]1 ZINC000639498167 371364874 /nfs/dbraw/zinc/36/48/74/371364874.db2.gz XVWCRDNJQNGJPD-OAHLLOKOSA-N 2 1 275.396 2.238 20 0 CEADMP CC(C)[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000251392088 371400481 /nfs/dbraw/zinc/40/04/81/371400481.db2.gz KEITYGVUMIGDPP-ULQDDVLXSA-N 2 1 276.424 2.038 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccc3ccccc3n2)CC[C@H]1[NH3+] ZINC000251743406 371414726 /nfs/dbraw/zinc/41/47/26/371414726.db2.gz KYLDJIJPXZJZJC-SWLSCSKDSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)CC[C@H]1[NH3+] ZINC000251743406 371414730 /nfs/dbraw/zinc/41/47/30/371414730.db2.gz KYLDJIJPXZJZJC-SWLSCSKDSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)CC[C@H]1[NH3+] ZINC000251743403 371415382 /nfs/dbraw/zinc/41/53/82/371415382.db2.gz KYLDJIJPXZJZJC-IUODEOHRSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)CC[C@H]1[NH3+] ZINC000251743403 371415386 /nfs/dbraw/zinc/41/53/86/371415386.db2.gz KYLDJIJPXZJZJC-IUODEOHRSA-N 2 1 255.365 2.404 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCO[C@H]2C)CC1 ZINC000639509414 371371137 /nfs/dbraw/zinc/37/11/37/371371137.db2.gz BEZPWOYAYQFXMH-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP COC[C@H](C)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000249960956 371371712 /nfs/dbraw/zinc/37/17/12/371371712.db2.gz WLNPSDPMNFDYIJ-CABCVRRESA-N 2 1 254.418 2.077 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc[nH]c(=O)c2)C[C@@H]1C ZINC000639509994 371373255 /nfs/dbraw/zinc/37/32/55/371373255.db2.gz RYZGGUUZEGVAHK-GXTWGEPZSA-N 2 1 263.385 2.092 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc[nH]c(=O)c2)C[C@@H]1C ZINC000639509994 371373257 /nfs/dbraw/zinc/37/32/57/371373257.db2.gz RYZGGUUZEGVAHK-GXTWGEPZSA-N 2 1 263.385 2.092 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc[nH]c(=O)c2)C[C@@H]1C ZINC000639509994 371373260 /nfs/dbraw/zinc/37/32/60/371373260.db2.gz RYZGGUUZEGVAHK-GXTWGEPZSA-N 2 1 263.385 2.092 20 0 CEADMP C[N@@H+](CCN[C@@H]1CC[NH+]2CCC[C@H]2C1)C1CCCC1 ZINC000250002344 371374518 /nfs/dbraw/zinc/37/45/18/371374518.db2.gz RSMPBMDSEKHIOW-ZBFHGGJFSA-N 2 1 265.445 2.077 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000250002344 371374521 /nfs/dbraw/zinc/37/45/21/371374521.db2.gz RSMPBMDSEKHIOW-ZBFHGGJFSA-N 2 1 265.445 2.077 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000250002344 371374523 /nfs/dbraw/zinc/37/45/23/371374523.db2.gz RSMPBMDSEKHIOW-ZBFHGGJFSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H]1C ZINC000639511132 371374986 /nfs/dbraw/zinc/37/49/86/371374986.db2.gz MWDXRHFTTSHTLI-SOLBZPMBSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H]1C ZINC000639511132 371374989 /nfs/dbraw/zinc/37/49/89/371374989.db2.gz MWDXRHFTTSHTLI-SOLBZPMBSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H]1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000639511132 371374994 /nfs/dbraw/zinc/37/49/94/371374994.db2.gz MWDXRHFTTSHTLI-SOLBZPMBSA-N 2 1 288.435 2.354 20 0 CEADMP C[C@@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000639511132 371375000 /nfs/dbraw/zinc/37/50/00/371375000.db2.gz MWDXRHFTTSHTLI-SOLBZPMBSA-N 2 1 288.435 2.354 20 0 CEADMP c1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1OCC2 ZINC000250097625 371376823 /nfs/dbraw/zinc/37/68/23/371376823.db2.gz DLDBZNJZRHRBTH-SJORKVTESA-N 2 1 286.419 2.380 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000250116021 371377555 /nfs/dbraw/zinc/37/75/55/371377555.db2.gz MXUUPZOFCZZWIY-HRCADAONSA-N 2 1 278.371 2.076 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC(C)(C)CO3)CC[C@H]21 ZINC000639518307 371379284 /nfs/dbraw/zinc/37/92/84/371379284.db2.gz DUQDRYYKOLIYKB-RBSFLKMASA-N 2 1 266.429 2.218 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000252892342 371488024 /nfs/dbraw/zinc/48/80/24/371488024.db2.gz NMSHNUJKYCKDSS-TZMCWYRMSA-N 2 1 278.396 2.134 20 0 CEADMP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)[NH+](CC)CC ZINC000359889550 371492514 /nfs/dbraw/zinc/49/25/14/371492514.db2.gz JXEJUYQFXMGZMQ-ARFHVFGLSA-N 2 1 297.487 2.296 20 0 CEADMP CC(C)(C)n1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000252672521 371466356 /nfs/dbraw/zinc/46/63/56/371466356.db2.gz BAQBGGPMKFPYOR-CABCVRRESA-N 2 1 276.428 2.355 20 0 CEADMP CC(C)(C)n1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000252672521 371466360 /nfs/dbraw/zinc/46/63/60/371466360.db2.gz BAQBGGPMKFPYOR-CABCVRRESA-N 2 1 276.428 2.355 20 0 CEADMP CC(C)(C)n1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000252672521 371466363 /nfs/dbraw/zinc/46/63/63/371466363.db2.gz BAQBGGPMKFPYOR-CABCVRRESA-N 2 1 276.428 2.355 20 0 CEADMP c1cc2c(cc1C[NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)OCCO2 ZINC000252673481 371466498 /nfs/dbraw/zinc/46/64/98/371466498.db2.gz JQWJACTXHFADFL-GJZGRUSLSA-N 2 1 288.391 2.174 20 0 CEADMP c1cc2c(cc1C[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)OCCO2 ZINC000252673481 371466502 /nfs/dbraw/zinc/46/65/02/371466502.db2.gz JQWJACTXHFADFL-GJZGRUSLSA-N 2 1 288.391 2.174 20 0 CEADMP COc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673180 371467001 /nfs/dbraw/zinc/46/70/01/371467001.db2.gz HBHPHQQKQIXVRF-CABCVRRESA-N 2 1 260.381 2.412 20 0 CEADMP COc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252673180 371467004 /nfs/dbraw/zinc/46/70/04/371467004.db2.gz HBHPHQQKQIXVRF-CABCVRRESA-N 2 1 260.381 2.412 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc(OC)cc3C2)C1 ZINC000252704712 371471318 /nfs/dbraw/zinc/47/13/18/371471318.db2.gz OCIZZMHUHFZTBW-PBHICJAKSA-N 2 1 288.435 2.484 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252714690 371473155 /nfs/dbraw/zinc/47/31/55/371473155.db2.gz SQFCATANAPWUFZ-ILXRZTDVSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252714690 371473160 /nfs/dbraw/zinc/47/31/60/371473160.db2.gz SQFCATANAPWUFZ-ILXRZTDVSA-N 2 1 265.445 2.076 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252840038 371481085 /nfs/dbraw/zinc/48/10/85/371481085.db2.gz BJTDZXISDKSEMC-CWRNSKLLSA-N 2 1 260.381 2.254 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252842126 371482604 /nfs/dbraw/zinc/48/26/04/371482604.db2.gz CLDYRHCQKVBEPV-JYJNAYRXSA-N 2 1 288.391 2.032 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc(OC)c1 ZINC000253194807 371501860 /nfs/dbraw/zinc/50/18/60/371501860.db2.gz QTIACNHMVQYEGJ-TZMCWYRMSA-N 2 1 278.396 2.121 20 0 CEADMP C[N@H+]1CCC[C@@H](CNC(N)=[NH2+])[C@H]1c1cccc(Cl)c1 ZINC000360616159 371521752 /nfs/dbraw/zinc/52/17/52/371521752.db2.gz ASHIAASCEHRWSL-WCQYABFASA-N 2 1 280.803 2.206 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H]3CCC(C)(C)O3)C2)CC1 ZINC000639756241 371545883 /nfs/dbraw/zinc/54/58/83/371545883.db2.gz SIQNDKDCJNPMRK-AWEZNQCLSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757363 371546833 /nfs/dbraw/zinc/54/68/33/371546833.db2.gz HEYFTIAVFDMSQF-LBPRGKRZSA-N 2 1 290.411 2.426 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000639765247 371553620 /nfs/dbraw/zinc/55/36/20/371553620.db2.gz IDCGFQWTFOPARN-KRWDZBQOSA-N 2 1 294.414 2.147 20 0 CEADMP C[C@H]1OCC[C@H]1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684209 371492944 /nfs/dbraw/zinc/49/29/44/371492944.db2.gz GMTXWIGEJAOUFL-CABCVRRESA-N 2 1 275.396 2.019 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684020 371492971 /nfs/dbraw/zinc/49/29/71/371492971.db2.gz QIDUJZWOVTWGEQ-KRWDZBQOSA-N 2 1 291.439 2.391 20 0 CEADMP Cc1cnc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)o1 ZINC000639683422 371493398 /nfs/dbraw/zinc/49/33/98/371493398.db2.gz YRJKVBQVQPQNON-UHFFFAOYSA-N 2 1 272.352 2.090 20 0 CEADMP Cc1cnc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)o1 ZINC000639683422 371493403 /nfs/dbraw/zinc/49/34/03/371493403.db2.gz YRJKVBQVQPQNON-UHFFFAOYSA-N 2 1 272.352 2.090 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000639766729 371555568 /nfs/dbraw/zinc/55/55/68/371555568.db2.gz ONYVPRLZOCDXEB-SNMSSPIJSA-N 2 1 288.435 2.478 20 0 CEADMP c1cnn(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)c1 ZINC000261611857 371677519 /nfs/dbraw/zinc/67/75/19/371677519.db2.gz DZJDXDDHVBHKDR-NVXWUHKLSA-N 2 1 282.391 2.056 20 0 CEADMP COc1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1OC ZINC000361107484 371652358 /nfs/dbraw/zinc/65/23/58/371652358.db2.gz PXQPTEHIRBQWOS-CABCVRRESA-N 2 1 290.407 2.230 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261575347 371657428 /nfs/dbraw/zinc/65/74/28/371657428.db2.gz BMSZXWJHXWSUIP-HOCLYGCPSA-N 2 1 260.381 2.058 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261575347 371657429 /nfs/dbraw/zinc/65/74/29/371657429.db2.gz BMSZXWJHXWSUIP-HOCLYGCPSA-N 2 1 260.381 2.058 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cncc(F)c1 ZINC000361121366 371662415 /nfs/dbraw/zinc/66/24/15/371662415.db2.gz VMTXCASNDAHXTE-FZMZJTMJSA-N 2 1 251.349 2.356 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cncc(F)c1 ZINC000361121366 371662421 /nfs/dbraw/zinc/66/24/21/371662421.db2.gz VMTXCASNDAHXTE-FZMZJTMJSA-N 2 1 251.349 2.356 20 0 CEADMP Clc1ccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261583959 371663066 /nfs/dbraw/zinc/66/30/66/371663066.db2.gz HOQJHUYNRREWAO-OLZOCXBDSA-N 2 1 280.799 2.260 20 0 CEADMP Clc1ccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261583959 371663075 /nfs/dbraw/zinc/66/30/75/371663075.db2.gz HOQJHUYNRREWAO-OLZOCXBDSA-N 2 1 280.799 2.260 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000261734464 371713977 /nfs/dbraw/zinc/71/39/77/371713977.db2.gz LKAQYQMPPTUWIB-INIZCTEOSA-N 2 1 270.380 2.043 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](CCC[C@H](C)O)CC1 ZINC000639986500 371714226 /nfs/dbraw/zinc/71/42/26/371714226.db2.gz NTNBTQNUSHXOMC-HNNXBMFYSA-N 2 1 268.445 2.488 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1scnc1C1CC1 ZINC000261755728 371721678 /nfs/dbraw/zinc/72/16/78/371721678.db2.gz CNUHBDVSBJVQEZ-ZJUUUORDSA-N 2 1 251.399 2.190 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261756434 371722622 /nfs/dbraw/zinc/72/26/22/371722622.db2.gz NIYLBMMCQHQLRD-HRCADAONSA-N 3 1 276.428 2.092 20 0 CEADMP Fc1cc2cccnc2c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261653582 371694321 /nfs/dbraw/zinc/69/43/21/371694321.db2.gz JZKYLQNJTGVPNC-HIFRSBDPSA-N 2 1 285.366 2.415 20 0 CEADMP Fc1cc2cccnc2c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261653582 371694325 /nfs/dbraw/zinc/69/43/25/371694325.db2.gz JZKYLQNJTGVPNC-HIFRSBDPSA-N 2 1 285.366 2.415 20 0 CEADMP Cn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C(F)F)n1 ZINC000361175831 371698644 /nfs/dbraw/zinc/69/86/44/371698644.db2.gz GXWYIGUPBANNQI-UHFFFAOYSA-N 2 1 286.370 2.131 20 0 CEADMP CCC[C@H](C)[C@@H](CC)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361184617 371703023 /nfs/dbraw/zinc/70/30/23/371703023.db2.gz ULEAVDPORSYUTP-ARFHVFGLSA-N 2 1 297.487 2.378 20 0 CEADMP CC(C)CC[C@@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000361263570 371747103 /nfs/dbraw/zinc/74/71/03/371747103.db2.gz XCUBCOHNAREILC-LSDHHAIUSA-N 2 1 256.434 2.057 20 0 CEADMP CC(C)CC[C@@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000361263570 371747104 /nfs/dbraw/zinc/74/71/04/371747104.db2.gz XCUBCOHNAREILC-LSDHHAIUSA-N 2 1 256.434 2.057 20 0 CEADMP CC(C)CC[C@@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000361263570 371747105 /nfs/dbraw/zinc/74/71/05/371747105.db2.gz XCUBCOHNAREILC-LSDHHAIUSA-N 2 1 256.434 2.057 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)CC[NH2+]C1 ZINC000261994295 371793291 /nfs/dbraw/zinc/79/32/91/371793291.db2.gz KOJKSMGEYFZPSV-WDEREUQCSA-N 2 1 250.308 2.260 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+](C)C2CC[NH2+]CC2)cn1 ZINC000261954082 371784686 /nfs/dbraw/zinc/78/46/86/371784686.db2.gz OKGVWHGTIWQXJK-UHFFFAOYSA-N 2 1 276.428 2.110 20 0 CEADMP CC(C)N(C)c1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cn1 ZINC000261954082 371784694 /nfs/dbraw/zinc/78/46/94/371784694.db2.gz OKGVWHGTIWQXJK-UHFFFAOYSA-N 2 1 276.428 2.110 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccnn3-c3ccccc3)C[C@@H]21 ZINC000261975185 371788205 /nfs/dbraw/zinc/78/82/05/371788205.db2.gz QSICHJJMMNMXIE-FHLIZLRMSA-N 2 1 296.418 2.432 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000640102841 371814764 /nfs/dbraw/zinc/81/47/64/371814764.db2.gz VEFNDJOLCHNBNT-FPCVCCKLSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000640102841 371814771 /nfs/dbraw/zinc/81/47/71/371814771.db2.gz VEFNDJOLCHNBNT-FPCVCCKLSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000640102841 371814778 /nfs/dbraw/zinc/81/47/78/371814778.db2.gz VEFNDJOLCHNBNT-FPCVCCKLSA-N 2 1 266.429 2.096 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](CC1CCC1)[C@H](C)CO ZINC000361492472 371874023 /nfs/dbraw/zinc/87/40/23/371874023.db2.gz ILUDCWCEJKVIDA-CQSZACIVSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](CC1CCC1)[C@H](C)CO ZINC000361492472 371874030 /nfs/dbraw/zinc/87/40/30/371874030.db2.gz ILUDCWCEJKVIDA-CQSZACIVSA-N 2 1 279.428 2.455 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000361926761 372133186 /nfs/dbraw/zinc/13/31/86/372133186.db2.gz RMFQHOBDCVPTOZ-LUKYLMHMSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000361926761 372133190 /nfs/dbraw/zinc/13/31/90/372133190.db2.gz RMFQHOBDCVPTOZ-LUKYLMHMSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000361966827 372147936 /nfs/dbraw/zinc/14/79/36/372147936.db2.gz OXQKDXFPYCVOAZ-IAQYHMDHSA-N 2 1 268.351 2.437 20 0 CEADMP COc1cccc2c1CC[C@@H]2[NH2+]CCn1cc[nH+]c1C ZINC000268823934 372241961 /nfs/dbraw/zinc/24/19/61/372241961.db2.gz QHNMFMDTQBJZOQ-HNNXBMFYSA-N 2 1 271.364 2.477 20 0 CEADMP COc1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)ccn1 ZINC000362104591 372223355 /nfs/dbraw/zinc/22/33/55/372223355.db2.gz YRXPPULLQFPSDM-PMPSAXMXSA-N 2 1 287.407 2.006 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2cn3cc(C)ccc3n2)[C@H](C)C1 ZINC000268823482 372241092 /nfs/dbraw/zinc/24/10/92/372241092.db2.gz APRLBDFOMVUXLG-ZBFHGGJFSA-N 2 1 286.423 2.463 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)c(C)n1 ZINC000268747927 372206111 /nfs/dbraw/zinc/20/61/11/372206111.db2.gz SWAJSPCCUKUDCW-GFCCVEGCSA-N 2 1 262.401 2.230 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1C)CC2 ZINC000268825917 372243453 /nfs/dbraw/zinc/24/34/53/372243453.db2.gz QSEDQPMPWPZEBQ-INIZCTEOSA-N 2 1 271.364 2.477 20 0 CEADMP C[C@@H](CC1CCOCC1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344305418 217142636 /nfs/dbraw/zinc/14/26/36/217142636.db2.gz XOPZERUIFFFNPP-ZDUSSCGKSA-N 2 1 252.402 2.043 20 0 CEADMP COc1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000268923248 372288789 /nfs/dbraw/zinc/28/87/89/372288789.db2.gz PHQYSYQERVGPAJ-NSNWQYSKSA-N 2 1 292.423 2.047 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2C)[C@@H]1SC ZINC000362315453 372310680 /nfs/dbraw/zinc/31/06/80/372310680.db2.gz ABRWOHFKKUMWJW-ZNMIVQPWSA-N 2 1 297.468 2.470 20 0 CEADMP Cc1cc(NCC2CC[NH+](C3CC3)CC2)nc(C)[nH+]1 ZINC000277865645 541873023 /nfs/dbraw/zinc/87/30/23/541873023.db2.gz LMQFQKBLSHOTED-UHFFFAOYSA-N 2 1 260.385 2.380 20 0 CEADMP Cc1cc(C)c(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)c(C)[nH+]1 ZINC000641187294 372379103 /nfs/dbraw/zinc/37/91/03/372379103.db2.gz IXKZTMXZPAYMJK-OAHLLOKOSA-N 2 1 299.422 2.189 20 0 CEADMP Cc1cc(C)c(Cn2cc([C@H]3CCC[NH2+]C3)nn2)c(C)[nH+]1 ZINC000641187904 372379750 /nfs/dbraw/zinc/37/97/50/372379750.db2.gz XWXQXODKNGZLAZ-AWEZNQCLSA-N 2 1 285.395 2.114 20 0 CEADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000269234640 372390608 /nfs/dbraw/zinc/39/06/08/372390608.db2.gz LWGSWDZNGUOZOJ-ZIAGYGMSSA-N 2 1 297.830 2.042 20 0 CEADMP C[C@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)[C@H]([NH3+])c1ccccc1 ZINC000269263063 372399862 /nfs/dbraw/zinc/39/98/62/372399862.db2.gz NYDZRALUXOMPTE-LRDDRELGSA-N 2 1 298.390 2.422 20 0 CEADMP Cc1ncc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cn1 ZINC000344348235 217162318 /nfs/dbraw/zinc/16/23/18/217162318.db2.gz IJJFITGAXAMYCG-ZDUSSCGKSA-N 2 1 262.401 2.139 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC000344396958 217181018 /nfs/dbraw/zinc/18/10/18/217181018.db2.gz UIPDMBGQOMUTED-BZUAXINKSA-N 2 1 281.488 2.427 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC000344396958 217181020 /nfs/dbraw/zinc/18/10/20/217181020.db2.gz UIPDMBGQOMUTED-BZUAXINKSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000362820716 372535714 /nfs/dbraw/zinc/53/57/14/372535714.db2.gz QIYQRBPGAMHNQX-HOCLYGCPSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CC(C)C ZINC000362763031 372516310 /nfs/dbraw/zinc/51/63/10/372516310.db2.gz OSPRXXOAFOBXFY-HRCADAONSA-N 2 1 297.487 2.057 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCC2 ZINC000269955428 372613383 /nfs/dbraw/zinc/61/33/83/372613383.db2.gz KGPHZETUSBPMND-SJLPKXTDSA-N 2 1 288.435 2.419 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000641717402 372654007 /nfs/dbraw/zinc/65/40/07/372654007.db2.gz JJILUJRNLLMOPC-PMPSAXMXSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1CCC(C)(C)[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000641800807 372744018 /nfs/dbraw/zinc/74/40/18/372744018.db2.gz GHLFNIZVDOTDKL-SECBINFHSA-N 2 1 252.362 2.026 20 0 CEADMP C[C@@H]1CCC(C)(C)[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000641800807 372744021 /nfs/dbraw/zinc/74/40/21/372744021.db2.gz GHLFNIZVDOTDKL-SECBINFHSA-N 2 1 252.362 2.026 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641802065 372745900 /nfs/dbraw/zinc/74/59/00/372745900.db2.gz HKHJMODQXLHTBW-CQDKDKBSSA-N 2 1 289.423 2.291 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641802068 372746462 /nfs/dbraw/zinc/74/64/62/372746462.db2.gz HKHJMODQXLHTBW-TUKIKUTGSA-N 2 1 289.423 2.291 20 0 CEADMP CC(C)c1ccc(NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641803412 372748702 /nfs/dbraw/zinc/74/87/02/372748702.db2.gz CMPUMPHBIAOKOC-LSDHHAIUSA-N 2 1 289.423 2.464 20 0 CEADMP Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641807943 372755040 /nfs/dbraw/zinc/75/50/40/372755040.db2.gz VYDPPECHWLEPQV-STQMWFEESA-N 2 1 295.814 2.302 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C(C)(C)n1cncn1 ZINC000353414099 220069398 /nfs/dbraw/zinc/06/93/98/220069398.db2.gz RNSASEKQXQGQKW-HUUCEWRRSA-N 2 1 293.459 2.256 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000641796610 372735354 /nfs/dbraw/zinc/73/53/54/372735354.db2.gz DFKPSTYTCGFVHR-NSHDSACASA-N 2 1 284.306 2.049 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000641796610 372735361 /nfs/dbraw/zinc/73/53/61/372735361.db2.gz DFKPSTYTCGFVHR-NSHDSACASA-N 2 1 284.306 2.049 20 0 CEADMP [NH3+]C1CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000333158058 205080137 /nfs/dbraw/zinc/08/01/37/205080137.db2.gz NHZNSZNWNVKDJT-GQGLESIBSA-N 3 1 273.424 2.339 20 0 CEADMP C[C@@H](CCN[C@@H]1C[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000344608954 217247671 /nfs/dbraw/zinc/24/76/71/217247671.db2.gz HENBMMXLFUTDQZ-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](CCN[C@@H]1C[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000344608954 217247673 /nfs/dbraw/zinc/24/76/73/217247673.db2.gz HENBMMXLFUTDQZ-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](CCN[C@@H]1C[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000344608954 217247675 /nfs/dbraw/zinc/24/76/75/217247675.db2.gz HENBMMXLFUTDQZ-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](CC[NH2+][C@@H]1CN(C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000344608954 217247678 /nfs/dbraw/zinc/24/76/78/217247678.db2.gz HENBMMXLFUTDQZ-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](CC[NH2+][C@@H]1CN(C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000344608954 217247680 /nfs/dbraw/zinc/24/76/80/217247680.db2.gz HENBMMXLFUTDQZ-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000365066117 372802500 /nfs/dbraw/zinc/80/25/00/372802500.db2.gz GWTHTSYBULNZTR-GVDBMIGSSA-N 2 1 278.440 2.433 20 0 CEADMP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000353452083 220090979 /nfs/dbraw/zinc/09/09/79/220090979.db2.gz QLQOVORIAOCDCP-JKSUJKDBSA-N 2 1 295.471 2.001 20 0 CEADMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cn1 ZINC000353455171 220092581 /nfs/dbraw/zinc/09/25/81/220092581.db2.gz PLUZOWGEOKSXFY-XHSDSOJGSA-N 2 1 288.439 2.110 20 0 CEADMP CC[C@@H](C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[NH+](CC)CC ZINC000344651730 217262865 /nfs/dbraw/zinc/26/28/65/217262865.db2.gz ZXTFMRVMTONZME-GJZGRUSLSA-N 2 1 297.487 2.343 20 0 CEADMP Cc1cc(N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc(C)[nH+]1 ZINC000643044017 372933532 /nfs/dbraw/zinc/93/35/32/372933532.db2.gz MBLSTXZCOSIRRW-GJZGRUSLSA-N 2 1 274.412 2.309 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000353514683 220130203 /nfs/dbraw/zinc/13/02/03/220130203.db2.gz LEHZEFBJYMQTDO-KFWWJZLASA-N 2 1 295.471 2.001 20 0 CEADMP Cc1nccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)n1 ZINC000366453997 373054947 /nfs/dbraw/zinc/05/49/47/373054947.db2.gz IZYPAJKBOKWECX-IUODEOHRSA-N 2 1 271.368 2.065 20 0 CEADMP Cc1nccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)n1 ZINC000366453999 373055363 /nfs/dbraw/zinc/05/53/63/373055363.db2.gz IZYPAJKBOKWECX-WFASDCNBSA-N 2 1 271.368 2.065 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(c3nc(C)no3)CC2)C1 ZINC000366475433 373062203 /nfs/dbraw/zinc/06/22/03/373062203.db2.gz PSYFWVQEWJATLI-NFOMZHRRSA-N 2 1 292.427 2.336 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366484116 373064841 /nfs/dbraw/zinc/06/48/41/373064841.db2.gz RYHDGBXDYRFRNS-KRWDZBQOSA-N 2 1 296.455 2.384 20 0 CEADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C[C@H]1OC ZINC000643501760 373159138 /nfs/dbraw/zinc/15/91/38/373159138.db2.gz PIOVZDLRCOUCQI-BFHYXJOUSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@@H]([NH2+]CC1(CO)CCCCC1)c1c[nH+]ccc1N ZINC000643466302 373135254 /nfs/dbraw/zinc/13/52/54/373135254.db2.gz XTKAKDBYAJAAKT-GFCCVEGCSA-N 2 1 263.385 2.088 20 0 CEADMP CN(Cc1ccn(C)n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000271198391 373174601 /nfs/dbraw/zinc/17/46/01/373174601.db2.gz SHJJREKTWOTDJN-KRWDZBQOSA-N 2 1 298.434 2.374 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)CC(C)(C)O ZINC000272095976 373303199 /nfs/dbraw/zinc/30/31/99/373303199.db2.gz OCENRHNUQLELLR-UHFFFAOYSA-N 2 1 287.407 2.465 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC000272095976 373303201 /nfs/dbraw/zinc/30/32/01/373303201.db2.gz OCENRHNUQLELLR-UHFFFAOYSA-N 2 1 287.407 2.465 20 0 CEADMP C[C@@H]1OCC[C@@]12C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](C)O2 ZINC000369406984 373408578 /nfs/dbraw/zinc/40/85/78/373408578.db2.gz DPKWLEVWOGAOJX-LTIDMASMSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1OCC[C@@]12C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](C)O2 ZINC000369406984 373408588 /nfs/dbraw/zinc/40/85/88/373408588.db2.gz DPKWLEVWOGAOJX-LTIDMASMSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1OCC[C@@]12C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](C)O2 ZINC000369406984 373408599 /nfs/dbraw/zinc/40/85/99/373408599.db2.gz DPKWLEVWOGAOJX-LTIDMASMSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1OCC[C@@]12C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](C)O2 ZINC000369406984 373408610 /nfs/dbraw/zinc/40/86/10/373408610.db2.gz DPKWLEVWOGAOJX-LTIDMASMSA-N 2 1 296.455 2.129 20 0 CEADMP CC(C)CC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000644531356 373515040 /nfs/dbraw/zinc/51/50/40/373515040.db2.gz NQWDBSOJYBVUMV-JKSUJKDBSA-N 2 1 270.461 2.494 20 0 CEADMP Cc1ccc([C@@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000644571586 373537800 /nfs/dbraw/zinc/53/78/00/373537800.db2.gz GWSVLHITKJLVDY-YOEHRIQHSA-N 2 1 276.424 2.143 20 0 CEADMP Cc1ccc([C@@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000644571586 373537808 /nfs/dbraw/zinc/53/78/08/373537808.db2.gz GWSVLHITKJLVDY-YOEHRIQHSA-N 2 1 276.424 2.143 20 0 CEADMP C[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000644574002 373539065 /nfs/dbraw/zinc/53/90/65/373539065.db2.gz KAZPMWPSZZFUJW-BZPMIXESSA-N 2 1 268.426 2.101 20 0 CEADMP C[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000644574002 373539072 /nfs/dbraw/zinc/53/90/72/373539072.db2.gz KAZPMWPSZZFUJW-BZPMIXESSA-N 2 1 268.426 2.101 20 0 CEADMP CCc1cc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)nc(C)n1 ZINC000272924474 373715726 /nfs/dbraw/zinc/71/57/26/373715726.db2.gz ULRIFYROSJLFPK-FZMZJTMJSA-N 2 1 262.401 2.124 20 0 CEADMP CCCc1noc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)n1 ZINC000370723326 373727375 /nfs/dbraw/zinc/72/73/75/373727375.db2.gz HDCMZFITPJPGJZ-GFCCVEGCSA-N 2 1 289.383 2.135 20 0 CEADMP C(C[NH+]1CCCC1)C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000371197443 373809703 /nfs/dbraw/zinc/80/97/03/373809703.db2.gz IORPJSUSOKKHOD-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000371265362 373827149 /nfs/dbraw/zinc/82/71/49/373827149.db2.gz ZJXKAWFFPYZOHV-UKRRQHHQSA-N 2 1 281.444 2.027 20 0 CEADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)o1 ZINC000371468291 373894277 /nfs/dbraw/zinc/89/42/77/373894277.db2.gz ANOAWRPUHSOFOX-NUEKZKHPSA-N 2 1 278.396 2.272 20 0 CEADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)o1 ZINC000371468291 373894280 /nfs/dbraw/zinc/89/42/80/373894280.db2.gz ANOAWRPUHSOFOX-NUEKZKHPSA-N 2 1 278.396 2.272 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2Cc3ccccc3O2)CC[N@@H+]1C ZINC000372017407 374023497 /nfs/dbraw/zinc/02/34/97/374023497.db2.gz NZVUFIHGNNNQIK-BMFZPTHFSA-N 2 1 274.408 2.405 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2Cc3ccccc3O2)CC[N@H+]1C ZINC000372017407 374023506 /nfs/dbraw/zinc/02/35/06/374023506.db2.gz NZVUFIHGNNNQIK-BMFZPTHFSA-N 2 1 274.408 2.405 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2Cc3ccccc3O2)CC[NH+]1C ZINC000372017407 374023511 /nfs/dbraw/zinc/02/35/11/374023511.db2.gz NZVUFIHGNNNQIK-BMFZPTHFSA-N 2 1 274.408 2.405 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2Cc3ccccc3O2)CC[NH+]1C ZINC000372017407 374023519 /nfs/dbraw/zinc/02/35/19/374023519.db2.gz NZVUFIHGNNNQIK-BMFZPTHFSA-N 2 1 274.408 2.405 20 0 CEADMP C[N@@H+]1CC[C@H]2CC[NH+](CCCC3CCOCC3)[C@H]2C1 ZINC000372129580 374050991 /nfs/dbraw/zinc/05/09/91/374050991.db2.gz YDIMMGVGHRCSTG-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CC[C@H]2CC[NH+](CCCC3CCOCC3)[C@H]2C1 ZINC000372129580 374050996 /nfs/dbraw/zinc/05/09/96/374050996.db2.gz YDIMMGVGHRCSTG-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@H]2CC[N@H+](CCCC3CCOCC3)[C@H]2C1 ZINC000372129580 374051007 /nfs/dbraw/zinc/05/10/07/374051007.db2.gz YDIMMGVGHRCSTG-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@H]2CC[N@@H+](CCCC3CCOCC3)[C@H]2C1 ZINC000372129580 374051013 /nfs/dbraw/zinc/05/10/13/374051013.db2.gz YDIMMGVGHRCSTG-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CCC[C@@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000645685073 374136918 /nfs/dbraw/zinc/13/69/18/374136918.db2.gz SMOUPZJMUWWSPR-HZPDHXFCSA-N 2 1 295.471 2.275 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC[C@H]2CCOC2)C1 ZINC000645811434 374199251 /nfs/dbraw/zinc/19/92/51/374199251.db2.gz WKXNVYKPLDAHJL-IRXDYDNUSA-N 2 1 280.456 2.467 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000645811434 374199261 /nfs/dbraw/zinc/19/92/61/374199261.db2.gz WKXNVYKPLDAHJL-IRXDYDNUSA-N 2 1 280.456 2.467 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645811434 374199268 /nfs/dbraw/zinc/19/92/68/374199268.db2.gz WKXNVYKPLDAHJL-IRXDYDNUSA-N 2 1 280.456 2.467 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC[C@H]2CCOC2)CC1 ZINC000645892143 374258130 /nfs/dbraw/zinc/25/81/30/374258130.db2.gz LNAZLVNAKIDHJS-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000373514418 374371729 /nfs/dbraw/zinc/37/17/29/374371729.db2.gz GORSFMMXABYYEA-HOTGVXAUSA-N 2 1 295.471 2.147 20 0 CEADMP Cn1nccc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374276507 374528856 /nfs/dbraw/zinc/52/88/56/374528856.db2.gz BRLSGCSHWCBNFZ-GOSISDBHSA-N 2 1 298.434 2.422 20 0 CEADMP Cn1nccc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374276507 374528864 /nfs/dbraw/zinc/52/88/64/374528864.db2.gz BRLSGCSHWCBNFZ-GOSISDBHSA-N 2 1 298.434 2.422 20 0 CEADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000374340040 374545463 /nfs/dbraw/zinc/54/54/63/374545463.db2.gz ZPVVPUOBZCUFDW-WCXIOVBPSA-N 2 1 298.471 2.279 20 0 CEADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000374340040 374545471 /nfs/dbraw/zinc/54/54/71/374545471.db2.gz ZPVVPUOBZCUFDW-WCXIOVBPSA-N 2 1 298.471 2.279 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccccn1 ZINC000277666542 374602117 /nfs/dbraw/zinc/60/21/17/374602117.db2.gz WZTBNBCHIZBCJN-OLZOCXBDSA-N 2 1 256.353 2.191 20 0 CEADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000374614310 374614162 /nfs/dbraw/zinc/61/41/62/374614162.db2.gz VFNBUKUUZATQTF-VGWMRTNUSA-N 2 1 284.419 2.358 20 0 CEADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000374614310 374614175 /nfs/dbraw/zinc/61/41/75/374614175.db2.gz VFNBUKUUZATQTF-VGWMRTNUSA-N 2 1 284.419 2.358 20 0 CEADMP CCCCOCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000375839878 374684088 /nfs/dbraw/zinc/68/40/88/374684088.db2.gz NWRCUDBXHWBKJC-BBWFWOEESA-N 2 1 298.471 2.282 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000278414387 374808111 /nfs/dbraw/zinc/80/81/11/374808111.db2.gz HZEURPHSQDHGEO-MAZHCROVSA-N 2 1 280.387 2.179 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CCSC2)cn1 ZINC000278421164 374812607 /nfs/dbraw/zinc/81/26/07/374812607.db2.gz QRDYWFFSTJUJOV-AWEZNQCLSA-N 2 1 288.420 2.418 20 0 CEADMP Cc1ccc2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cn2c1 ZINC000252851197 189983660 /nfs/dbraw/zinc/98/36/60/189983660.db2.gz HYSVXCMYFQASDN-CWRNSKLLSA-N 2 1 284.407 2.202 20 0 CEADMP Cc1ccc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cn2c1 ZINC000252851197 189983661 /nfs/dbraw/zinc/98/36/61/189983661.db2.gz HYSVXCMYFQASDN-CWRNSKLLSA-N 2 1 284.407 2.202 20 0 CEADMP Cc1cccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1C ZINC000289484085 197369770 /nfs/dbraw/zinc/36/97/70/197369770.db2.gz QUSLKGMSOBVUNH-UHFFFAOYSA-N 2 1 289.467 2.373 20 0 CEADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000377627906 374904948 /nfs/dbraw/zinc/90/49/48/374904948.db2.gz PQXBDXHCHCEQNN-QZTJIDSGSA-N 2 1 291.483 2.302 20 0 CEADMP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1 ZINC000684382903 541989889 /nfs/dbraw/zinc/98/98/89/541989889.db2.gz ZBGUXIPXZXYRDE-IRXDYDNUSA-N 2 1 298.471 2.423 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCCC[NH2+]C1CC1 ZINC000382562894 375189758 /nfs/dbraw/zinc/18/97/58/375189758.db2.gz YTJHCXSQSFVKHA-CRAIPNDOSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000382562894 375189762 /nfs/dbraw/zinc/18/97/62/375189762.db2.gz YTJHCXSQSFVKHA-CRAIPNDOSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000382892392 375195523 /nfs/dbraw/zinc/19/55/23/375195523.db2.gz PXEWDOSMDQIASK-MGPQQGTHSA-N 2 1 299.459 2.220 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)[C@@H](C)O1 ZINC000384677868 375214312 /nfs/dbraw/zinc/21/43/12/375214312.db2.gz ZTQBFEHUVSGRJU-TUVASFSCSA-N 2 1 254.418 2.406 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000387645300 375279503 /nfs/dbraw/zinc/27/95/03/375279503.db2.gz YMKKHSSLAJADNA-CABCVRRESA-N 2 1 297.487 2.391 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000399068441 375357228 /nfs/dbraw/zinc/35/72/28/375357228.db2.gz KYIRUPTVZFSGKR-YDHLFZDLSA-N 2 1 262.397 2.356 20 0 CEADMP C[NH+]1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281373777 375374635 /nfs/dbraw/zinc/37/46/35/375374635.db2.gz WTOHFROLVINMSD-HNNXBMFYSA-N 2 1 263.360 2.356 20 0 CEADMP COC(=O)[C@]1(C)CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000412118900 375541448 /nfs/dbraw/zinc/54/14/48/375541448.db2.gz ZUTHDCUJVKPRNT-GDBMZVCRSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)[C@]1(C)CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000412118900 375541449 /nfs/dbraw/zinc/54/14/49/375541449.db2.gz ZUTHDCUJVKPRNT-GDBMZVCRSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)[C@]1(C)CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000412118900 375541452 /nfs/dbraw/zinc/54/14/52/375541452.db2.gz ZUTHDCUJVKPRNT-GDBMZVCRSA-N 2 1 282.428 2.136 20 0 CEADMP Cc1cccc2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cn21 ZINC000334265236 206281181 /nfs/dbraw/zinc/28/11/81/206281181.db2.gz LLNBUVXKNHSHPL-UHFFFAOYSA-N 2 1 284.407 2.218 20 0 CEADMP CCc1nc(N2CC[C@H](C[N@@H+](C)CC)C2)cc(C)[nH+]1 ZINC000283852676 375770848 /nfs/dbraw/zinc/77/08/48/375770848.db2.gz UGBJSGCJPHHNBE-CYBMUJFWSA-N 2 1 262.401 2.125 20 0 CEADMP CCc1nc(N2CC[C@H](C[N@H+](C)CC)C2)cc(C)[nH+]1 ZINC000283852676 375770853 /nfs/dbraw/zinc/77/08/53/375770853.db2.gz UGBJSGCJPHHNBE-CYBMUJFWSA-N 2 1 262.401 2.125 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1O ZINC000414777265 375963943 /nfs/dbraw/zinc/96/39/43/375963943.db2.gz HWGAVHKFKIMDCB-LSDHHAIUSA-N 2 1 290.407 2.222 20 0 CEADMP CCOc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1OC ZINC000414792100 375972934 /nfs/dbraw/zinc/97/29/34/375972934.db2.gz INXVGLUYPWIPTO-ZDUSSCGKSA-N 2 1 266.385 2.167 20 0 CEADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)ccc1O ZINC000414680642 375915110 /nfs/dbraw/zinc/91/51/10/375915110.db2.gz NITDPRKEJPJZIC-OCCSQVGLSA-N 2 1 278.396 2.221 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000414701250 375928222 /nfs/dbraw/zinc/92/82/22/375928222.db2.gz GKBGTVNTPSARFA-QLFBSQMISA-N 2 1 264.417 2.139 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000414701250 375928229 /nfs/dbraw/zinc/92/82/29/375928229.db2.gz GKBGTVNTPSARFA-QLFBSQMISA-N 2 1 264.417 2.139 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC[NH2+]1 ZINC000414713521 375936914 /nfs/dbraw/zinc/93/69/14/375936914.db2.gz WBFDJPJBALXQBW-BRWVUGGUSA-N 3 1 279.472 2.182 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](C)CCC2CCOCC2)CC[NH2+]1 ZINC000414715316 375937174 /nfs/dbraw/zinc/93/71/74/375937174.db2.gz WHVNCDJNIRJQJG-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)CC[NH2+]1 ZINC000414715473 375937319 /nfs/dbraw/zinc/93/73/19/375937319.db2.gz WYMOIWFYMWSULT-ZJIFWQFVSA-N 2 1 276.428 2.154 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414807701 375993298 /nfs/dbraw/zinc/99/32/98/375993298.db2.gz CWJDUDYZDLEPMG-OAHLLOKOSA-N 2 1 272.396 2.479 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000415128230 376022214 /nfs/dbraw/zinc/02/22/14/376022214.db2.gz SPGFJNJJOQURJK-MUIFIZLQSA-N 2 1 274.408 2.182 20 0 CEADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000415979951 376030839 /nfs/dbraw/zinc/03/08/39/376030839.db2.gz FKOBGKINBDAJIP-WFASDCNBSA-N 2 1 290.411 2.010 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000414802291 375987875 /nfs/dbraw/zinc/98/78/75/375987875.db2.gz VLGNZUQKOOZHCI-OIISXLGYSA-N 2 1 275.440 2.080 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000414802291 375987880 /nfs/dbraw/zinc/98/78/80/375987880.db2.gz VLGNZUQKOOZHCI-OIISXLGYSA-N 2 1 275.440 2.080 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000414804241 375989719 /nfs/dbraw/zinc/98/97/19/375989719.db2.gz OLFMRXKAPPJCHQ-CZUORRHYSA-N 2 1 270.380 2.089 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287016902 376129287 /nfs/dbraw/zinc/12/92/87/376129287.db2.gz QSKZLWBYPOFYAN-AWEZNQCLSA-N 2 1 299.422 2.402 20 0 CEADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc2c[nH+]cn2c1 ZINC000287116926 376154061 /nfs/dbraw/zinc/15/40/61/376154061.db2.gz PJGOYUZAGBNRNZ-MRXNPFEDSA-N 2 1 298.390 2.081 20 0 CEADMP C[N@@H+](C[C@@H](O)CN1CCC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000289725188 376465877 /nfs/dbraw/zinc/46/58/77/376465877.db2.gz HDNUIEMSAKKXCC-IAGOWNOFSA-N 2 1 292.398 2.418 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000305810966 376501975 /nfs/dbraw/zinc/50/19/75/376501975.db2.gz MEPLZWNQOVXXAX-HZPDHXFCSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000305810966 376501982 /nfs/dbraw/zinc/50/19/82/376501982.db2.gz MEPLZWNQOVXXAX-HZPDHXFCSA-N 2 1 279.428 2.455 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305773350 376485159 /nfs/dbraw/zinc/48/51/59/376485159.db2.gz WMHJIWIAUCDKPG-ILXRZTDVSA-N 2 1 268.445 2.246 20 0 CEADMP O[C@@H](C[NH2+][C@@H]1CCCc2ccc(F)cc21)C[NH+]1CCCC1 ZINC000305781549 376487804 /nfs/dbraw/zinc/48/78/04/376487804.db2.gz PBFALMVYLIKYAK-DOTOQJQBSA-N 2 1 292.398 2.249 20 0 CEADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000289896898 376550741 /nfs/dbraw/zinc/55/07/41/376550741.db2.gz MUODZUBDQXQWEV-JLSDUUJJSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000289896898 376550745 /nfs/dbraw/zinc/55/07/45/376550745.db2.gz MUODZUBDQXQWEV-JLSDUUJJSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1[C@@H](c2ccccc2)CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289896898 376550748 /nfs/dbraw/zinc/55/07/48/376550748.db2.gz MUODZUBDQXQWEV-JLSDUUJJSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@@H]1[C@@H](c2ccccc2)CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289896898 376550750 /nfs/dbraw/zinc/55/07/50/376550750.db2.gz MUODZUBDQXQWEV-JLSDUUJJSA-N 2 1 288.435 2.320 20 0 CEADMP CC(C)c1cc(N2CCC[C@H]([C@H](C)[NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420194872 376604925 /nfs/dbraw/zinc/60/49/25/376604925.db2.gz VJPMEMMHQDJVEV-STQMWFEESA-N 2 1 291.443 2.230 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000307637654 376569486 /nfs/dbraw/zinc/56/94/86/376569486.db2.gz XCCXRYDZFKZQEB-SJLPKXTDSA-N 2 1 287.451 2.144 20 0 CEADMP CCOCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309964255 376610931 /nfs/dbraw/zinc/61/09/31/376610931.db2.gz KAOVMSGYEYKVTN-QZTJIDSGSA-N 2 1 288.435 2.477 20 0 CEADMP CCOCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309964255 376610940 /nfs/dbraw/zinc/61/09/40/376610940.db2.gz KAOVMSGYEYKVTN-QZTJIDSGSA-N 2 1 288.435 2.477 20 0 CEADMP CCOCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309964255 376610949 /nfs/dbraw/zinc/61/09/49/376610949.db2.gz KAOVMSGYEYKVTN-QZTJIDSGSA-N 2 1 288.435 2.477 20 0 CEADMP CC[N@H+](CC[NH2+][C@H]1CCC12CCOCC2)C(C)C ZINC000558623935 376624996 /nfs/dbraw/zinc/62/49/96/376624996.db2.gz FHGZSGHPPGMZDR-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@@H+](CC[NH2+][C@H]1CCC12CCOCC2)C(C)C ZINC000558623935 376625000 /nfs/dbraw/zinc/62/50/00/376625000.db2.gz FHGZSGHPPGMZDR-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCCC1CCOCC1 ZINC000310617316 376628279 /nfs/dbraw/zinc/62/82/79/376628279.db2.gz IPBUWNRDEXWJHG-OAHLLOKOSA-N 2 1 254.418 2.267 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCCC1CCOCC1 ZINC000310617316 376628282 /nfs/dbraw/zinc/62/82/82/376628282.db2.gz IPBUWNRDEXWJHG-OAHLLOKOSA-N 2 1 254.418 2.267 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1cc(C)nc(C)c1 ZINC000420809382 376718479 /nfs/dbraw/zinc/71/84/79/376718479.db2.gz YCTWAKABRKBRDB-CQSZACIVSA-N 2 1 292.427 2.228 20 0 CEADMP C([NH2+]C(C1CCC1)C1CCC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000312928217 376732994 /nfs/dbraw/zinc/73/29/94/376732994.db2.gz DXROMLFCPKRHCI-HOTGVXAUSA-N 2 1 278.440 2.408 20 0 CEADMP C([NH2+]C(C1CCC1)C1CCC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000312928217 376732997 /nfs/dbraw/zinc/73/29/97/376732997.db2.gz DXROMLFCPKRHCI-HOTGVXAUSA-N 2 1 278.440 2.408 20 0 CEADMP Cc1ccncc1CCC[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000290232594 376698339 /nfs/dbraw/zinc/69/83/39/376698339.db2.gz FYRSTXQGOKBAIM-UHFFFAOYSA-N 2 1 259.397 2.174 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000312326625 376708942 /nfs/dbraw/zinc/70/89/42/376708942.db2.gz YTAIGJGYXPEBID-YPMHNXCESA-N 2 1 292.345 2.313 20 0 CEADMP CCOC(=O)c1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)o1 ZINC000290450328 376783389 /nfs/dbraw/zinc/78/33/89/376783389.db2.gz MIJYOYNYJCGVAB-OCCSQVGLSA-N 2 1 294.395 2.228 20 0 CEADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(O)cc(F)c2)C1 ZINC000290452391 376784953 /nfs/dbraw/zinc/78/49/53/376784953.db2.gz MKDDKDMPZHFYHL-XJKSGUPXSA-N 2 1 278.371 2.447 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(O)cc(F)c2)C1 ZINC000290452391 376784958 /nfs/dbraw/zinc/78/49/58/376784958.db2.gz MKDDKDMPZHFYHL-XJKSGUPXSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(O)cc(F)c2)C1 ZINC000290452391 376784961 /nfs/dbraw/zinc/78/49/61/376784961.db2.gz MKDDKDMPZHFYHL-XJKSGUPXSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(O)cc(F)c2)C1 ZINC000290452391 376784967 /nfs/dbraw/zinc/78/49/67/376784967.db2.gz MKDDKDMPZHFYHL-XJKSGUPXSA-N 2 1 278.371 2.447 20 0 CEADMP COCCN(C)CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000684953447 542096629 /nfs/dbraw/zinc/09/66/29/542096629.db2.gz FQWADCXHPVZQMQ-HNNXBMFYSA-N 2 1 277.412 2.017 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)ncn3C)C1 ZINC000561100397 376791864 /nfs/dbraw/zinc/79/18/64/376791864.db2.gz WQZZJMJTEGDDIM-HNNXBMFYSA-N 2 1 286.423 2.393 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(O)cc1 ZINC000685462177 542143981 /nfs/dbraw/zinc/14/39/81/542143981.db2.gz SAQMTYQYTOFIOW-UHFFFAOYSA-N 2 1 259.353 2.419 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(O)cc1 ZINC000685462177 542143983 /nfs/dbraw/zinc/14/39/83/542143983.db2.gz SAQMTYQYTOFIOW-UHFFFAOYSA-N 2 1 259.353 2.419 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(O)cc2)C1 ZINC000685470676 542146874 /nfs/dbraw/zinc/14/68/74/542146874.db2.gz HNSREMHYHHEPMV-GOEBONIOSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(O)cc2)C1 ZINC000685470676 542146879 /nfs/dbraw/zinc/14/68/79/542146879.db2.gz HNSREMHYHHEPMV-GOEBONIOSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(O)cc2)C1 ZINC000685470676 542146884 /nfs/dbraw/zinc/14/68/84/542146884.db2.gz HNSREMHYHHEPMV-GOEBONIOSA-N 2 1 260.381 2.308 20 0 CEADMP CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cn2)CC1 ZINC000422890944 376854789 /nfs/dbraw/zinc/85/47/89/376854789.db2.gz JQJJTOUUFFYIOM-HZPDHXFCSA-N 2 1 288.439 2.287 20 0 CEADMP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422950824 376873392 /nfs/dbraw/zinc/87/33/92/376873392.db2.gz ZCYKJHMLSRTKHZ-ABAIWWIYSA-N 2 1 260.381 2.270 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422957438 376881316 /nfs/dbraw/zinc/88/13/16/376881316.db2.gz UCJXLLJRUIXIJO-DGCLKSJQSA-N 2 1 279.453 2.152 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccn2ccnc2c1 ZINC000290694198 376884528 /nfs/dbraw/zinc/88/45/28/376884528.db2.gz MXYIGMXIXAUKKK-GFCCVEGCSA-N 2 1 289.383 2.185 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)N(C)C ZINC000422961631 376888567 /nfs/dbraw/zinc/88/85/67/376888567.db2.gz COXFIDFEUQGDQS-KBMXLJTQSA-N 2 1 269.477 2.331 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]1c1cccc(F)c1 ZINC000562479396 376907894 /nfs/dbraw/zinc/90/78/94/376907894.db2.gz ZROLFODIVHIEOX-HZPDHXFCSA-N 2 1 280.387 2.275 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422997036 376914950 /nfs/dbraw/zinc/91/49/50/376914950.db2.gz NDJKQNCOPFTVIG-OAGGEKHMSA-N 2 1 267.461 2.227 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422998895 376917598 /nfs/dbraw/zinc/91/75/98/376917598.db2.gz ROMLDXCOMIPYAC-GVDBMIGSSA-N 3 1 281.488 2.332 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422998895 376917605 /nfs/dbraw/zinc/91/76/05/376917605.db2.gz ROMLDXCOMIPYAC-GVDBMIGSSA-N 2 1 281.488 2.332 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422998895 376917607 /nfs/dbraw/zinc/91/76/07/376917607.db2.gz ROMLDXCOMIPYAC-GVDBMIGSSA-N 2 1 281.488 2.332 20 0 CEADMP C[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC000423018411 376933635 /nfs/dbraw/zinc/93/36/35/376933635.db2.gz YVRHIIJUJOLLLD-VQTPCSAVSA-N 2 1 285.435 2.304 20 0 CEADMP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC000423018411 376933643 /nfs/dbraw/zinc/93/36/43/376933643.db2.gz YVRHIIJUJOLLLD-VQTPCSAVSA-N 2 1 285.435 2.304 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423082808 376977798 /nfs/dbraw/zinc/97/77/98/376977798.db2.gz XTRSDLZKWWJTKX-MWQQHZPXSA-N 2 1 274.408 2.352 20 0 CEADMP C[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000423042566 376945273 /nfs/dbraw/zinc/94/52/73/376945273.db2.gz LESSYYUPUYKYJB-TVQRCGJNSA-N 2 1 272.314 2.377 20 0 CEADMP C[NH+](C)CC1(CN[C@H]2CCCC[C@H]2C[NH3+])CCCC1 ZINC000423040248 376946083 /nfs/dbraw/zinc/94/60/83/376946083.db2.gz STISNYDRJBGECF-GJZGRUSLSA-N 2 1 267.461 2.216 20 0 CEADMP Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000423056212 376950822 /nfs/dbraw/zinc/95/08/22/376950822.db2.gz FOCBOAOPVCYULU-HIFRSBDPSA-N 2 1 285.391 2.057 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000423118628 377013625 /nfs/dbraw/zinc/01/36/25/377013625.db2.gz BOFUGXCANVARBL-LALPHHSUSA-N 2 1 282.815 2.004 20 0 CEADMP CC[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423120027 377014656 /nfs/dbraw/zinc/01/46/56/377014656.db2.gz FQROAEGLYZGWBQ-XSLAGTTESA-N 2 1 288.435 2.273 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423120119 377015381 /nfs/dbraw/zinc/01/53/81/377015381.db2.gz GKUVVCKRNCUMSF-LAQRGFTBSA-N 2 1 287.451 2.380 20 0 CEADMP CCCc1nc(C)c(C[NH2+][C@H]2CCC[C@H]2C[NH3+])o1 ZINC000423122529 377019733 /nfs/dbraw/zinc/01/97/33/377019733.db2.gz CQHSAKIKJQDNEJ-RYUDHWBXSA-N 2 1 251.374 2.153 20 0 CEADMP CS[C@H]1CC[NH+](CCC[N@@H+]2CC[C@H](SC)C2)C1 ZINC000562723347 376984810 /nfs/dbraw/zinc/98/48/10/376984810.db2.gz YURPHEHNULCZAT-STQMWFEESA-N 2 1 274.499 2.251 20 0 CEADMP COC1CCC(C)(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423091040 376985521 /nfs/dbraw/zinc/98/55/21/376985521.db2.gz ZANOWCBRNUEXTN-FGZQJIAISA-N 2 1 254.418 2.169 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000423193470 377108755 /nfs/dbraw/zinc/10/87/55/377108755.db2.gz QTFJJKOUGYZTKH-GFCCVEGCSA-N 3 1 258.369 2.180 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000423197793 377113935 /nfs/dbraw/zinc/11/39/35/377113935.db2.gz BEQVAIKDPLZJQK-LLVKDONJSA-N 2 1 253.365 2.152 20 0 CEADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423157365 377059753 /nfs/dbraw/zinc/05/97/53/377059753.db2.gz AQRCRWZERNYXLM-MQIPJXDCSA-N 2 1 280.387 2.353 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](Cc1ccccc1)OC)[C@@H]1CCC[NH2+]1 ZINC000423159656 377065303 /nfs/dbraw/zinc/06/53/03/377065303.db2.gz PNFXMRWHDJTHRJ-BBWFWOEESA-N 2 1 276.424 2.364 20 0 CEADMP C[C@H]([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000423166698 377072550 /nfs/dbraw/zinc/07/25/50/377072550.db2.gz VUTPNOWDHABXBW-MCIONIFRSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@H]([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000423166698 377072554 /nfs/dbraw/zinc/07/25/54/377072554.db2.gz VUTPNOWDHABXBW-MCIONIFRSA-N 2 1 254.443 2.346 20 0 CEADMP C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000423176261 377084432 /nfs/dbraw/zinc/08/44/32/377084432.db2.gz FYYXCELUGANCOZ-JGGQBBKZSA-N 2 1 280.387 2.022 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH2+]CC1)CCCO2 ZINC000423181808 377094822 /nfs/dbraw/zinc/09/48/22/377094822.db2.gz JPBMTAPLDRGSAG-OAHLLOKOSA-N 2 1 276.380 2.251 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH2+]CC1)CCCO2 ZINC000423181807 377095357 /nfs/dbraw/zinc/09/53/57/377095357.db2.gz JPBMTAPLDRGSAG-HNNXBMFYSA-N 2 1 276.380 2.251 20 0 CEADMP [NH3+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423192167 377104532 /nfs/dbraw/zinc/10/45/32/377104532.db2.gz PRVJFEOLWSEMDZ-KURKYZTESA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423192167 377104535 /nfs/dbraw/zinc/10/45/35/377104535.db2.gz PRVJFEOLWSEMDZ-KURKYZTESA-N 3 1 287.451 2.368 20 0 CEADMP [NH3+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423192167 377104540 /nfs/dbraw/zinc/10/45/40/377104540.db2.gz PRVJFEOLWSEMDZ-KURKYZTESA-N 3 1 287.451 2.368 20 0 CEADMP COc1cccc(C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423194325 377106823 /nfs/dbraw/zinc/10/68/23/377106823.db2.gz RFPOFODYHRLIPL-DOTOQJQBSA-N 2 1 274.408 2.358 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(C)nc1C(F)F ZINC000291260219 377146881 /nfs/dbraw/zinc/14/68/81/377146881.db2.gz SFLKLYPDYGDSDZ-JTQLQIEISA-N 2 1 297.353 2.289 20 0 CEADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C1(C)C ZINC000423230527 377148482 /nfs/dbraw/zinc/14/84/82/377148482.db2.gz DXLGVHHQQMIDFM-MGPQQGTHSA-N 2 1 254.418 2.168 20 0 CEADMP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000423235004 377153019 /nfs/dbraw/zinc/15/30/19/377153019.db2.gz GCPKXUKVCHUBNK-KBRIMQKVSA-N 2 1 275.440 2.350 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C12CCCCC2 ZINC000423236942 377154542 /nfs/dbraw/zinc/15/45/42/377154542.db2.gz PIQDPXUNJQSDCQ-QLFBSQMISA-N 2 1 266.429 2.456 20 0 CEADMP CC[NH2+]CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000423237383 377157994 /nfs/dbraw/zinc/15/79/94/377157994.db2.gz DDCSVDLRLUTQPC-UHFFFAOYSA-N 2 1 287.407 2.018 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C1(CC)CC ZINC000423268445 377187374 /nfs/dbraw/zinc/18/73/74/377187374.db2.gz DTYLEJBOBMNPAO-MELADBBJSA-N 2 1 254.418 2.297 20 0 CEADMP [NH3+]C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000423269193 377188781 /nfs/dbraw/zinc/18/87/81/377188781.db2.gz VNZAROYADWWNPE-PMPSAXMXSA-N 2 1 265.445 2.110 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000423270000 377189154 /nfs/dbraw/zinc/18/91/54/377189154.db2.gz WFHHPORYLPEERL-YPMHNXCESA-N 2 1 291.395 2.042 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423269544 377189225 /nfs/dbraw/zinc/18/92/25/377189225.db2.gz HEBJBUPPGRCOJB-CABCVRRESA-N 2 1 286.423 2.438 20 0 CEADMP CC[N@@H+]1C[C@@H](C)N(C(=O)[C@H](C)[NH2+]C(C)(C)CC)[C@@H](C)C1 ZINC000563409936 377211597 /nfs/dbraw/zinc/21/15/97/377211597.db2.gz XSOIAPYQNAPMPE-MJBXVCDLSA-N 2 1 283.460 2.094 20 0 CEADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(OC)c(OC)c1 ZINC000423284225 377212046 /nfs/dbraw/zinc/21/20/46/377212046.db2.gz WRNGPXBXFPENKP-ZIAGYGMSSA-N 2 1 278.396 2.482 20 0 CEADMP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)[C@@H]1CCCO1 ZINC000423286011 377214712 /nfs/dbraw/zinc/21/47/12/377214712.db2.gz ZEPSVSJRPPBKGX-HIFRSBDPSA-N 2 1 254.418 2.456 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000423304979 377234647 /nfs/dbraw/zinc/23/46/47/377234647.db2.gz ZUXDZJBOKBSJFZ-RQJABVFESA-N 2 1 252.402 2.051 20 0 CEADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423311934 377240617 /nfs/dbraw/zinc/24/06/17/377240617.db2.gz CGSQPVJEAKRYRB-SJORKVTESA-N 2 1 299.422 2.045 20 0 CEADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CC2([NH3+])CCC2)c1 ZINC000423315113 377245354 /nfs/dbraw/zinc/24/53/54/377245354.db2.gz AKJJEHFCUHJPNM-NSHDSACASA-N 2 1 261.369 2.177 20 0 CEADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423320948 377253509 /nfs/dbraw/zinc/25/35/09/377253509.db2.gz HCPYDXYRWMRKJI-JKSUJKDBSA-N 2 1 295.471 2.084 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000423276397 377200569 /nfs/dbraw/zinc/20/05/69/377200569.db2.gz OJLFFFZLOSIORA-LZLYRXPVSA-N 2 1 289.467 2.485 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000423276397 377200573 /nfs/dbraw/zinc/20/05/73/377200573.db2.gz OJLFFFZLOSIORA-LZLYRXPVSA-N 2 1 289.467 2.485 20 0 CEADMP COc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc(OC)c1OC ZINC000423278354 377204109 /nfs/dbraw/zinc/20/41/09/377204109.db2.gz PQBQRHLQEYFGRL-MFKMUULPSA-N 2 1 294.395 2.100 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000564300495 377370614 /nfs/dbraw/zinc/37/06/14/377370614.db2.gz RBPHDONSBDLZJM-XGUBFFRZSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@@H+](C[C@@H](O)Cc1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000293129290 377438556 /nfs/dbraw/zinc/43/85/56/377438556.db2.gz PRJSFYDRFUPZNV-WBVHZDCISA-N 2 1 294.414 2.003 20 0 CEADMP C[NH+](C[C@@H](O)Cc1ccc(F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000293129290 377438564 /nfs/dbraw/zinc/43/85/64/377438564.db2.gz PRJSFYDRFUPZNV-WBVHZDCISA-N 2 1 294.414 2.003 20 0 CEADMP C[NH+](C[C@@H](O)Cc1ccc(F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000293129290 377438572 /nfs/dbraw/zinc/43/85/72/377438572.db2.gz PRJSFYDRFUPZNV-WBVHZDCISA-N 2 1 294.414 2.003 20 0 CEADMP C[N@@H+](C[C@@H](O)Cc1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000293129284 377439269 /nfs/dbraw/zinc/43/92/69/377439269.db2.gz PRJSFYDRFUPZNV-RDJZCZTQSA-N 2 1 294.414 2.003 20 0 CEADMP C[NH+](C[C@@H](O)Cc1ccc(F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000293129284 377439277 /nfs/dbraw/zinc/43/92/77/377439277.db2.gz PRJSFYDRFUPZNV-RDJZCZTQSA-N 2 1 294.414 2.003 20 0 CEADMP C[NH+](C[C@@H](O)Cc1ccc(F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000293129284 377439287 /nfs/dbraw/zinc/43/92/87/377439287.db2.gz PRJSFYDRFUPZNV-RDJZCZTQSA-N 2 1 294.414 2.003 20 0 CEADMP CC[NH2+]CCCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000564822172 377463542 /nfs/dbraw/zinc/46/35/42/377463542.db2.gz DLRUQJPXDFNYDH-NVXWUHKLSA-N 2 1 275.440 2.096 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000564822172 377463550 /nfs/dbraw/zinc/46/35/50/377463550.db2.gz DLRUQJPXDFNYDH-NVXWUHKLSA-N 2 1 275.440 2.096 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)CC[NH2+]1 ZINC000564969675 377518517 /nfs/dbraw/zinc/51/85/17/377518517.db2.gz BEAPPKZZONVXRJ-LVQVYYBASA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000429145017 377511725 /nfs/dbraw/zinc/51/17/25/377511725.db2.gz UNCANMLEOSNUQA-ZIAGYGMSSA-N 2 1 297.830 2.042 20 0 CEADMP C[C@H]1CCC[N@H+](CCN(C)c2ccccc2)[C@@H]1C[NH3+] ZINC000430590942 377530203 /nfs/dbraw/zinc/53/02/03/377530203.db2.gz DSPPNQLBIOUHMK-GOEBONIOSA-N 2 1 261.413 2.182 20 0 CEADMP C[C@H]1CCC[N@@H+](CCN(C)c2ccccc2)[C@@H]1C[NH3+] ZINC000430590942 377530206 /nfs/dbraw/zinc/53/02/06/377530206.db2.gz DSPPNQLBIOUHMK-GOEBONIOSA-N 2 1 261.413 2.182 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1cc(OC)cc(OC)c1 ZINC000265227214 190167357 /nfs/dbraw/zinc/16/73/57/190167357.db2.gz IGZOOCFCGVACRI-UHFFFAOYSA-N 2 1 280.412 2.477 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)cc(OC)c1 ZINC000265227214 190167358 /nfs/dbraw/zinc/16/73/58/190167358.db2.gz IGZOOCFCGVACRI-UHFFFAOYSA-N 2 1 280.412 2.477 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@H](C[NH2+]C)C2)c1 ZINC000430952901 377572794 /nfs/dbraw/zinc/57/27/94/377572794.db2.gz RFLUWVDZPJNJTQ-OAHLLOKOSA-N 2 1 262.397 2.169 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000430967789 377578234 /nfs/dbraw/zinc/57/82/34/377578234.db2.gz UYQFCKHTKJWUPV-ZJUUUORDSA-N 2 1 264.373 2.067 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430967787 377578303 /nfs/dbraw/zinc/57/83/03/377578303.db2.gz UYQFCKHTKJWUPV-VHSXEESVSA-N 2 1 264.373 2.067 20 0 CEADMP Cc1cnc([C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cn1 ZINC000332427540 377599087 /nfs/dbraw/zinc/59/90/87/377599087.db2.gz CRVUDFQWWNABER-LBPRGKRZSA-N 2 1 271.368 2.449 20 0 CEADMP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc2c1OCC2 ZINC000312807377 249373307 /nfs/dbraw/zinc/37/33/07/249373307.db2.gz LFKPRJLKRMVHNA-IYBDPMFKSA-N 2 1 272.392 2.053 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOCC1CCCC1 ZINC000313304756 249393332 /nfs/dbraw/zinc/39/33/32/249393332.db2.gz RWGHBAICYLORQO-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCC[NH+]1CCCCCC1 ZINC000431914560 377685674 /nfs/dbraw/zinc/68/56/74/377685674.db2.gz SUGDQLJRLXPVMK-INIZCTEOSA-N 2 1 295.471 2.243 20 0 CEADMP COCC1([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000566091197 377723594 /nfs/dbraw/zinc/72/35/94/377723594.db2.gz ZGNUTWPHJOHGIS-GJZGRUSLSA-N 2 1 260.381 2.248 20 0 CEADMP Cc1ccc2cc[nH+]c(N3CCC([NH2+]CCO)CC3)c2c1 ZINC000566149859 377737041 /nfs/dbraw/zinc/73/70/41/377737041.db2.gz ZTNNSMKPRXNHLD-UHFFFAOYSA-N 2 1 285.391 2.094 20 0 CEADMP CCC[N@@H+](CCC[NH2+]C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000435877907 377811924 /nfs/dbraw/zinc/81/19/24/377811924.db2.gz WDUOAWXTZSCVDV-MCIONIFRSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC000442873274 378011511 /nfs/dbraw/zinc/01/15/11/378011511.db2.gz KEIAXCUVIQBARI-CQSZACIVSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]([NH3+])C[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000442666116 377977674 /nfs/dbraw/zinc/97/76/74/377977674.db2.gz SFCFXBXQAVGRRY-LBPRGKRZSA-N 2 1 290.386 2.427 20 0 CEADMP C[C@H]([NH3+])C[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000442666116 377977679 /nfs/dbraw/zinc/97/76/79/377977679.db2.gz SFCFXBXQAVGRRY-LBPRGKRZSA-N 2 1 290.386 2.427 20 0 CEADMP C[C@@H]([NH3+])CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000442663315 377978277 /nfs/dbraw/zinc/97/82/77/377978277.db2.gz JNMOSEVDVVVPCZ-SJLPKXTDSA-N 2 1 287.451 2.322 20 0 CEADMP C[N@@H+](CCOc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761579 377992487 /nfs/dbraw/zinc/99/24/87/377992487.db2.gz CLDQXWJQQZBDIF-YIONKMFJSA-N 2 1 278.371 2.419 20 0 CEADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000442791821 377995640 /nfs/dbraw/zinc/99/56/40/377995640.db2.gz KLLJFXQTJNEJEC-KFWWJZLASA-N 2 1 283.460 2.131 20 0 CEADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060185 378032047 /nfs/dbraw/zinc/03/20/47/378032047.db2.gz OLQZLRGVTPGWFU-LSDHHAIUSA-N 2 1 289.423 2.099 20 0 CEADMP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443073691 378035207 /nfs/dbraw/zinc/03/52/07/378035207.db2.gz PGIDDINTUAIPBT-NEPJUHHUSA-N 2 1 280.416 2.489 20 0 CEADMP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443073691 378035212 /nfs/dbraw/zinc/03/52/12/378035212.db2.gz PGIDDINTUAIPBT-NEPJUHHUSA-N 2 1 280.416 2.489 20 0 CEADMP CC1(C)C[C@@H](O)CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000295208534 378051374 /nfs/dbraw/zinc/05/13/74/378051374.db2.gz LFYWUZUXICJDIG-AWEZNQCLSA-N 2 1 273.380 2.317 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000442927965 378020028 /nfs/dbraw/zinc/02/00/28/378020028.db2.gz OVJFLOYJQLBCEI-ZDUSSCGKSA-N 2 1 290.436 2.495 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000450400134 378395174 /nfs/dbraw/zinc/39/51/74/378395174.db2.gz FQYQZCFMAHJIMY-INMHGKMJSA-N 2 1 276.424 2.035 20 0 CEADMP CCC[C@@H](O)C[N@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000450375019 378382219 /nfs/dbraw/zinc/38/22/19/378382219.db2.gz DKGDFFSPVVOESH-UONOGXRCSA-N 2 1 265.401 2.243 20 0 CEADMP CCc1cc(NC[C@H]2CCCC[N@H+]2C2CC2)cc[nH+]1 ZINC000450482829 378442225 /nfs/dbraw/zinc/44/22/25/378442225.db2.gz HNUCQWWNVLIQIC-MRXNPFEDSA-N 2 1 259.397 2.495 20 0 CEADMP CCC(=O)CCC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000450448202 378422719 /nfs/dbraw/zinc/42/27/19/378422719.db2.gz BAEFLMWNSFUBCD-CQSZACIVSA-N 2 1 254.418 2.409 20 0 CEADMP CCC(=O)CCC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000450448202 378422723 /nfs/dbraw/zinc/42/27/23/378422723.db2.gz BAEFLMWNSFUBCD-CQSZACIVSA-N 2 1 254.418 2.409 20 0 CEADMP CC(C)C[C@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000450630336 378507960 /nfs/dbraw/zinc/50/79/60/378507960.db2.gz VBJKRRZXVOPUAM-HNNXBMFYSA-N 2 1 269.477 2.379 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](CCc2cscn2)CC1 ZINC000450860604 378618869 /nfs/dbraw/zinc/61/88/69/378618869.db2.gz XBSZWDZVJMHDIO-CYBMUJFWSA-N 2 1 253.415 2.102 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2cscn2)CC1 ZINC000450860604 378618876 /nfs/dbraw/zinc/61/88/76/378618876.db2.gz XBSZWDZVJMHDIO-CYBMUJFWSA-N 2 1 253.415 2.102 20 0 CEADMP C[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+](C2CC2)C1 ZINC000451094405 378706772 /nfs/dbraw/zinc/70/67/72/378706772.db2.gz PYINYNWHWXPTDH-INIZCTEOSA-N 2 1 279.472 2.279 20 0 CEADMP OCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453059972 378789663 /nfs/dbraw/zinc/78/96/63/378789663.db2.gz QYLITATXYTUXAW-KZNAEPCWSA-N 2 1 288.435 2.402 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346839143 218032390 /nfs/dbraw/zinc/03/23/90/218032390.db2.gz YGWGXHFPNAPNPZ-QPSJONLNSA-N 2 1 272.392 2.378 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453118052 378809037 /nfs/dbraw/zinc/80/90/37/378809037.db2.gz VBMFGAUGUJKZCG-SJORKVTESA-N 2 1 280.456 2.392 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]c(-c4ccccc4)n3)C[C@@H]12 ZINC000346819987 218022584 /nfs/dbraw/zinc/02/25/84/218022584.db2.gz IPGNOUJMHKLNLF-FVQBIDKESA-N 2 1 282.391 2.246 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)C[C@@H]12 ZINC000346819987 218022588 /nfs/dbraw/zinc/02/25/88/218022588.db2.gz IPGNOUJMHKLNLF-FVQBIDKESA-N 2 1 282.391 2.246 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453143759 378818112 /nfs/dbraw/zinc/81/81/12/378818112.db2.gz MOCAMZDKRPTXQW-DZJNRPSUSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346825867 218026867 /nfs/dbraw/zinc/02/68/67/218026867.db2.gz GWVQQDBHHKQYJH-XLNGHYISSA-N 2 1 280.456 2.498 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000346851423 218036492 /nfs/dbraw/zinc/03/64/92/218036492.db2.gz JTSFDFOBWGVEDV-YUTCNCBUSA-N 2 1 294.468 2.158 20 0 CEADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000453307362 378859129 /nfs/dbraw/zinc/85/91/29/378859129.db2.gz KLQKXGYBJIIXNH-OIISXLGYSA-N 2 1 273.424 2.395 20 0 CEADMP C1C[C@@H]2C[C@H]([NH+]3CCC[C@@]4(CCOC4)C3)CC[N@H+]2C1 ZINC000453343353 378867402 /nfs/dbraw/zinc/86/74/02/378867402.db2.gz DMFMWGYNIHZFHR-BZUAXINKSA-N 2 1 264.413 2.116 20 0 CEADMP C1C[C@@H]2C[C@H]([N@@H+]3CCC[C@@]4(CCOC4)C3)CC[NH+]2C1 ZINC000453343353 378867406 /nfs/dbraw/zinc/86/74/06/378867406.db2.gz DMFMWGYNIHZFHR-BZUAXINKSA-N 2 1 264.413 2.116 20 0 CEADMP C1C[C@@H]2C[C@H]([N@H+]3CCC[C@@]4(CCOC4)C3)CC[NH+]2C1 ZINC000453343353 378867410 /nfs/dbraw/zinc/86/74/10/378867410.db2.gz DMFMWGYNIHZFHR-BZUAXINKSA-N 2 1 264.413 2.116 20 0 CEADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000453401502 378888500 /nfs/dbraw/zinc/88/85/00/378888500.db2.gz LNZCQMXCWOYRQH-LXTVHRRPSA-N 2 1 254.418 2.406 20 0 CEADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000453401502 378888506 /nfs/dbraw/zinc/88/85/06/378888506.db2.gz LNZCQMXCWOYRQH-LXTVHRRPSA-N 2 1 254.418 2.406 20 0 CEADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000453401499 378888981 /nfs/dbraw/zinc/88/89/81/378888981.db2.gz LNZCQMXCWOYRQH-GBJTYRQASA-N 2 1 254.418 2.406 20 0 CEADMP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000453401499 378888986 /nfs/dbraw/zinc/88/89/86/378888986.db2.gz LNZCQMXCWOYRQH-GBJTYRQASA-N 2 1 254.418 2.406 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000453373158 378878072 /nfs/dbraw/zinc/87/80/72/378878072.db2.gz WULZXWKJYLIAOL-BYNSBNAKSA-N 2 1 276.428 2.426 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000453373158 378878077 /nfs/dbraw/zinc/87/80/77/378878077.db2.gz WULZXWKJYLIAOL-BYNSBNAKSA-N 2 1 276.428 2.426 20 0 CEADMP OCCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000346964576 218072587 /nfs/dbraw/zinc/07/25/87/218072587.db2.gz BNMLZHONMIVQSR-CRAIPNDOSA-N 2 1 288.435 2.358 20 0 CEADMP CCc1nocc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453593592 378916674 /nfs/dbraw/zinc/91/66/74/378916674.db2.gz GVSXHKIFRMJRSI-UHFFFAOYSA-N 2 1 251.374 2.201 20 0 CEADMP Cc1ccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)nc1 ZINC000453608869 378919826 /nfs/dbraw/zinc/91/98/26/378919826.db2.gz YMSURUJKLCYHEY-UHFFFAOYSA-N 2 1 290.436 2.240 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2CCC[C@H](C[NH3+])C2)s1 ZINC000347034797 218100824 /nfs/dbraw/zinc/10/08/24/218100824.db2.gz CQAIKQXEPPRDDC-GFCCVEGCSA-N 2 1 282.457 2.160 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@H](C[NH3+])C2)s1 ZINC000347034797 218100826 /nfs/dbraw/zinc/10/08/26/218100826.db2.gz CQAIKQXEPPRDDC-GFCCVEGCSA-N 2 1 282.457 2.160 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC000347035610 218101401 /nfs/dbraw/zinc/10/14/01/218101401.db2.gz QLIMFHFXVGXYJB-INIZCTEOSA-N 2 1 295.402 2.153 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC000347035610 218101403 /nfs/dbraw/zinc/10/14/03/218101403.db2.gz QLIMFHFXVGXYJB-INIZCTEOSA-N 2 1 295.402 2.153 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347042734 218103166 /nfs/dbraw/zinc/10/31/66/218103166.db2.gz LYBWFSMHRXONBD-OAHLLOKOSA-N 2 1 298.390 2.440 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])ccc1-n1cncn1 ZINC000347024321 218096233 /nfs/dbraw/zinc/09/62/33/218096233.db2.gz QTNTZAPXHXNTTA-SUMWQHHRSA-N 2 1 299.422 2.135 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])ccc1-n1cncn1 ZINC000347024321 218096234 /nfs/dbraw/zinc/09/62/34/218096234.db2.gz QTNTZAPXHXNTTA-SUMWQHHRSA-N 2 1 299.422 2.135 20 0 CEADMP CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000347111770 218126353 /nfs/dbraw/zinc/12/63/53/218126353.db2.gz ORFKRBQUELFGOV-QWHCGFSZSA-N 2 1 263.385 2.040 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000347111770 218126354 /nfs/dbraw/zinc/12/63/54/218126354.db2.gz ORFKRBQUELFGOV-QWHCGFSZSA-N 2 1 263.385 2.040 20 0 CEADMP COCCOc1ccccc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347070098 218112489 /nfs/dbraw/zinc/11/24/89/218112489.db2.gz PKEISZWELCQZBQ-GJZGRUSLSA-N 2 1 292.423 2.271 20 0 CEADMP CC(C)n1ncc2cc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)cnc21 ZINC000347131399 218132760 /nfs/dbraw/zinc/13/27/60/218132760.db2.gz QXONAFKRNUUOAE-WFASDCNBSA-N 2 1 287.411 2.181 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)cnc21 ZINC000347131399 218132762 /nfs/dbraw/zinc/13/27/62/218132762.db2.gz QXONAFKRNUUOAE-WFASDCNBSA-N 2 1 287.411 2.181 20 0 CEADMP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000503889666 379071747 /nfs/dbraw/zinc/07/17/47/379071747.db2.gz WTWWIOPTKREZJF-FDYHWXHSSA-N 2 1 274.355 2.363 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000347403113 218223981 /nfs/dbraw/zinc/22/39/81/218223981.db2.gz IDBKBDSHHUSPAZ-KFWWJZLASA-N 2 1 295.471 2.096 20 0 CEADMP CCOC1CC([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC000347442389 218237256 /nfs/dbraw/zinc/23/72/56/218237256.db2.gz FGCBMLHSGOUFBX-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000513053407 379123199 /nfs/dbraw/zinc/12/31/99/379123199.db2.gz YSAMWZDFBGCQLL-LVQVYYBASA-N 2 1 296.455 2.428 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000513053407 379123205 /nfs/dbraw/zinc/12/32/05/379123205.db2.gz YSAMWZDFBGCQLL-LVQVYYBASA-N 2 1 296.455 2.428 20 0 CEADMP C(C[C@H]1CCCCO1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300418132 379171497 /nfs/dbraw/zinc/17/14/97/379171497.db2.gz HNDBLNFAACPEBE-SOUVJXGZSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)CC2CCCCC2)CC[N@H+]1C ZINC000180836931 542266823 /nfs/dbraw/zinc/26/68/23/542266823.db2.gz VXWSHOISDDNSPN-ZBFHGGJFSA-N 2 1 295.471 2.145 20 0 CEADMP CC(=O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278821090 194170171 /nfs/dbraw/zinc/17/01/71/194170171.db2.gz HNCNEZYYHABTEI-UHFFFAOYSA-N 2 1 275.396 2.378 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000516867984 379318945 /nfs/dbraw/zinc/31/89/45/379318945.db2.gz GYKAKIONBVYRGY-HNNXBMFYSA-N 2 1 262.397 2.312 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]CCCNC(=O)OC(C)(C)C ZINC000278907729 194205603 /nfs/dbraw/zinc/20/56/03/194205603.db2.gz SAPMIFNFVVRMCZ-UHFFFAOYSA-N 2 1 296.415 2.086 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000266606605 190270817 /nfs/dbraw/zinc/27/08/17/190270817.db2.gz GPPFOHARXYWYFF-RDJZCZTQSA-N 2 1 276.424 2.302 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000266606605 190270818 /nfs/dbraw/zinc/27/08/18/190270818.db2.gz GPPFOHARXYWYFF-RDJZCZTQSA-N 2 1 276.424 2.302 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000266606605 190270819 /nfs/dbraw/zinc/27/08/19/190270819.db2.gz GPPFOHARXYWYFF-RDJZCZTQSA-N 2 1 276.424 2.302 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000266606605 190270820 /nfs/dbraw/zinc/27/08/20/190270820.db2.gz GPPFOHARXYWYFF-RDJZCZTQSA-N 2 1 276.424 2.302 20 0 CEADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000519382478 379409190 /nfs/dbraw/zinc/40/91/90/379409190.db2.gz DIJGZQDFGRFFQM-XPKDYRNWSA-N 2 1 280.387 2.491 20 0 CEADMP CO[C@](C)([C@H](C)[NH2+]CCCc1c[nH+]cn1C)C1CC1 ZINC000520425310 379468567 /nfs/dbraw/zinc/46/85/67/379468567.db2.gz RBXHUOKMSXYYJQ-SWLSCSKDSA-N 2 1 265.401 2.146 20 0 CEADMP c1nc2c([nH]1)CC[C@@H]([NH2+]Cc1cnc(C3CC3)s1)C2 ZINC000520462959 379472724 /nfs/dbraw/zinc/47/27/24/379472724.db2.gz JCTWEKQRMFZROW-SNVBAGLBSA-N 2 1 274.393 2.391 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCCO ZINC000304416777 379575305 /nfs/dbraw/zinc/57/53/05/379575305.db2.gz DHVMKLDGJSVQNS-DOTOQJQBSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCCO ZINC000304416777 379575314 /nfs/dbraw/zinc/57/53/14/379575314.db2.gz DHVMKLDGJSVQNS-DOTOQJQBSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCCO ZINC000304416777 379575320 /nfs/dbraw/zinc/57/53/20/379575320.db2.gz DHVMKLDGJSVQNS-DOTOQJQBSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCCO ZINC000304416777 379575325 /nfs/dbraw/zinc/57/53/25/379575325.db2.gz DHVMKLDGJSVQNS-DOTOQJQBSA-N 2 1 276.424 2.211 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000305119654 379646354 /nfs/dbraw/zinc/64/63/54/379646354.db2.gz GPFGEKXNQUCNQQ-JJXSEGSLSA-N 2 1 270.461 2.492 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C1CC1 ZINC000267210726 190312016 /nfs/dbraw/zinc/31/20/16/190312016.db2.gz HJVAPDWXENJRSF-WBAXXEDZSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C1CC1 ZINC000267210726 190312017 /nfs/dbraw/zinc/31/20/17/190312017.db2.gz HJVAPDWXENJRSF-WBAXXEDZSA-N 2 1 288.435 2.258 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000457136249 379682235 /nfs/dbraw/zinc/68/22/35/379682235.db2.gz WQNPNDUQDHKLTL-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000305643368 379722462 /nfs/dbraw/zinc/72/24/62/379722462.db2.gz RDKGPZKVCCNHED-CVEARBPZSA-N 2 1 277.412 2.209 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000305643368 379722471 /nfs/dbraw/zinc/72/24/71/379722471.db2.gz RDKGPZKVCCNHED-CVEARBPZSA-N 2 1 277.412 2.209 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305296796 379704756 /nfs/dbraw/zinc/70/47/56/379704756.db2.gz GQAHKGPCLTZZPQ-PMPSAXMXSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2COC2)CC[N@@H+]1Cc1ccccc1 ZINC000527822491 379824057 /nfs/dbraw/zinc/82/40/57/379824057.db2.gz WXQTZAUEKRHHRO-RHSMWYFYSA-N 2 1 274.408 2.276 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2COC2)CC[N@H+]1Cc1ccccc1 ZINC000527822491 379824061 /nfs/dbraw/zinc/82/40/61/379824061.db2.gz WXQTZAUEKRHHRO-RHSMWYFYSA-N 2 1 274.408 2.276 20 0 CEADMP C[N@@H+]1C[C@H]2CN(c3nccc4ccccc43)C[C@H]2C1 ZINC000527988433 379867939 /nfs/dbraw/zinc/86/79/39/379867939.db2.gz SDOZSKAGWFTGKC-OKILXGFUSA-N 2 1 253.349 2.233 20 0 CEADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000528753631 380079655 /nfs/dbraw/zinc/07/96/55/380079655.db2.gz HBFVOMZZMRXIGJ-XLWJZTARSA-N 2 1 254.418 2.262 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CO)C1CCCCC1 ZINC000543840584 380348148 /nfs/dbraw/zinc/34/81/48/380348148.db2.gz UVFAROVRHFSKTP-LSDHHAIUSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548392686 380509615 /nfs/dbraw/zinc/50/96/15/380509615.db2.gz GSEXFZQFYAUAIJ-HUUCEWRRSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548392686 380509618 /nfs/dbraw/zinc/50/96/18/380509618.db2.gz GSEXFZQFYAUAIJ-HUUCEWRRSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548392686 380509620 /nfs/dbraw/zinc/50/96/20/380509620.db2.gz GSEXFZQFYAUAIJ-HUUCEWRRSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H](C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)NC(=O)OC(C)(C)C ZINC000492438753 380555695 /nfs/dbraw/zinc/55/56/95/380555695.db2.gz UIIYALDZQNPEDF-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)NC(=O)OC(C)(C)C ZINC000492438753 380555700 /nfs/dbraw/zinc/55/57/00/380555700.db2.gz UIIYALDZQNPEDF-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000492438753 380555702 /nfs/dbraw/zinc/55/57/02/380555702.db2.gz UIIYALDZQNPEDF-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000492438753 380555706 /nfs/dbraw/zinc/55/57/06/380555706.db2.gz UIIYALDZQNPEDF-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000359762372 220276001 /nfs/dbraw/zinc/27/60/01/220276001.db2.gz MDYBLUNPTURFQF-OAHLLOKOSA-N 2 1 297.487 2.343 20 0 CEADMP Cc1[nH]nc2ncc(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)cc12 ZINC000550828146 380630900 /nfs/dbraw/zinc/63/09/00/380630900.db2.gz XPOLRALHXAQMHW-CYBMUJFWSA-N 2 1 287.411 2.086 20 0 CEADMP Cc1[nH]nc2ncc(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)cc12 ZINC000550828146 380630906 /nfs/dbraw/zinc/63/09/06/380630906.db2.gz XPOLRALHXAQMHW-CYBMUJFWSA-N 2 1 287.411 2.086 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3cncs3)CC[C@H]21 ZINC000334562738 380600621 /nfs/dbraw/zinc/60/06/21/380600621.db2.gz ZOCLHCREXUKSPM-GXTWGEPZSA-N 2 1 265.426 2.102 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3cncs3)CC[C@H]21 ZINC000334562738 380600627 /nfs/dbraw/zinc/60/06/27/380600627.db2.gz ZOCLHCREXUKSPM-GXTWGEPZSA-N 2 1 265.426 2.102 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3cncs3)CC[C@H]21 ZINC000334562738 380600633 /nfs/dbraw/zinc/60/06/33/380600633.db2.gz ZOCLHCREXUKSPM-GXTWGEPZSA-N 2 1 265.426 2.102 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000552098981 380684459 /nfs/dbraw/zinc/68/44/59/380684459.db2.gz VIUMSCBLBYLEKZ-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000552098981 380684461 /nfs/dbraw/zinc/68/44/61/380684461.db2.gz VIUMSCBLBYLEKZ-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000554424506 380769840 /nfs/dbraw/zinc/76/98/40/380769840.db2.gz VPZTVTOURNTBGL-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CC[C@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000554424506 380769845 /nfs/dbraw/zinc/76/98/45/380769845.db2.gz VPZTVTOURNTBGL-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CC[C@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000554424506 380769849 /nfs/dbraw/zinc/76/98/49/380769849.db2.gz VPZTVTOURNTBGL-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](C)C2)ccn1 ZINC000554403455 380767773 /nfs/dbraw/zinc/76/77/73/380767773.db2.gz SLNNZHVHFVUXHI-SGMGOOAPSA-N 2 1 263.385 2.224 20 0 CEADMP C[N@H+]1CCN(CC[C@@H]2CCC[NH2+]C2)C2(CCCCC2)C1 ZINC000334786589 207072798 /nfs/dbraw/zinc/07/27/98/207072798.db2.gz WEDJGXORLISJTG-INIZCTEOSA-N 2 1 279.472 2.326 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000334856350 207193885 /nfs/dbraw/zinc/19/38/85/207193885.db2.gz HXLPYZJURJESCO-QMTHXVAHSA-N 2 1 280.799 2.363 20 0 CEADMP CN(CCC[N@@H+](C)Cc1cccc(Cl)n1)CC[NH+](C)C ZINC000289430130 197342491 /nfs/dbraw/zinc/34/24/91/197342491.db2.gz NPJRAPDEUMJHIR-UHFFFAOYSA-N 2 1 298.862 2.050 20 0 CEADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1F ZINC000335251202 208028211 /nfs/dbraw/zinc/02/82/11/208028211.db2.gz BGPZFAWEIKJANC-HNNXBMFYSA-N 2 1 292.398 2.321 20 0 CEADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(C)c1 ZINC000335253181 208034876 /nfs/dbraw/zinc/03/48/76/208034876.db2.gz PZWRYEYTDCVQMV-KRWDZBQOSA-N 2 1 288.435 2.491 20 0 CEADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1F ZINC000335258056 208044851 /nfs/dbraw/zinc/04/48/51/208044851.db2.gz QMYCNZODVVCLLE-OAHLLOKOSA-N 2 1 292.398 2.321 20 0 CEADMP COc1ccsc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335271186 208070844 /nfs/dbraw/zinc/07/08/44/208070844.db2.gz YPXRLNYSVYKYCD-TXEJJXNPSA-N 2 1 266.410 2.188 20 0 CEADMP Cc1ccc2cc(C[N@H+](C)C3CC([NH3+])C3)ccc2n1 ZINC000335300136 208139263 /nfs/dbraw/zinc/13/92/63/208139263.db2.gz UJPJHKAZCHIDFB-UHFFFAOYSA-N 2 1 255.365 2.465 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2=CCCOC2)C[C@@H]1C ZINC000353752703 220304163 /nfs/dbraw/zinc/30/41/63/220304163.db2.gz UBAZOSBSKSUISP-DZGCQCFKSA-N 2 1 252.402 2.138 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2=CCCOC2)C[C@@H]1C ZINC000353752703 220304167 /nfs/dbraw/zinc/30/41/67/220304167.db2.gz UBAZOSBSKSUISP-DZGCQCFKSA-N 2 1 252.402 2.138 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2=CCCOC2)C[C@@H]1C ZINC000353752703 220304172 /nfs/dbraw/zinc/30/41/72/220304172.db2.gz UBAZOSBSKSUISP-DZGCQCFKSA-N 2 1 252.402 2.138 20 0 CEADMP COCCSCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000373233872 285125932 /nfs/dbraw/zinc/12/59/32/285125932.db2.gz WSEMALYKWZTUIC-HUUCEWRRSA-N 2 1 286.485 2.172 20 0 CEADMP COCCSCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000373233872 285125933 /nfs/dbraw/zinc/12/59/33/285125933.db2.gz WSEMALYKWZTUIC-HUUCEWRRSA-N 2 1 286.485 2.172 20 0 CEADMP COCCSCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000373233872 285125934 /nfs/dbraw/zinc/12/59/34/285125934.db2.gz WSEMALYKWZTUIC-HUUCEWRRSA-N 2 1 286.485 2.172 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000094424046 285192485 /nfs/dbraw/zinc/19/24/85/285192485.db2.gz HXTJXHQYRUKPGT-ZDUSSCGKSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2c2ccnn2C)CC[NH2+]1 ZINC000414761322 297399310 /nfs/dbraw/zinc/39/93/10/297399310.db2.gz ITLNYPZGGBAHLJ-IIAWOOMASA-N 2 1 276.428 2.335 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]CCn1cc[nH+]c1C ZINC000281542521 195282268 /nfs/dbraw/zinc/28/22/68/195282268.db2.gz ZKPIZBXBMKMOBE-UHFFFAOYSA-N 2 1 261.373 2.067 20 0 CEADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000281569035 195291818 /nfs/dbraw/zinc/29/18/18/195291818.db2.gz DUSGSZRANKLSFG-HYVNUMGLSA-N 2 1 276.424 2.258 20 0 CEADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CC1C[NH2+]C1)CCC2 ZINC000335553516 285419878 /nfs/dbraw/zinc/41/98/78/285419878.db2.gz ZPFBVCRTNCAHBM-INIZCTEOSA-N 2 1 272.392 2.198 20 0 CEADMP COCCC[NH+]1CCC(Nc2cc(C)[nH+]c(C)n2)CC1 ZINC000263741446 131320492 /nfs/dbraw/zinc/32/04/92/131320492.db2.gz FCTUGMFDCVIHCL-UHFFFAOYSA-N 2 1 278.400 2.006 20 0 CEADMP CC[C@@H](F)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420974933 394461520 /nfs/dbraw/zinc/46/15/20/394461520.db2.gz FJPWBDBDAYKOLJ-OAHLLOKOSA-N 2 1 285.451 2.227 20 0 CEADMP CC(C)CCOCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471356 394475721 /nfs/dbraw/zinc/47/57/21/394475721.db2.gz IYXYEIAEJPPLBE-RRFJBIMHSA-N 2 1 254.418 2.108 20 0 CEADMP CN(C)C[C@@](C)(O)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000228725429 394476522 /nfs/dbraw/zinc/47/65/22/394476522.db2.gz BFSNROJEUFNJPG-ZDUSSCGKSA-N 2 1 290.329 2.108 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421321603 394499783 /nfs/dbraw/zinc/49/97/83/394499783.db2.gz BZYMNMZZWXDZFE-JTQLQIEISA-N 2 1 295.818 2.313 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000252546567 394572125 /nfs/dbraw/zinc/57/21/25/394572125.db2.gz KQKHNNNLTAXXRO-FXUDXRNXSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000252546567 394572127 /nfs/dbraw/zinc/57/21/27/394572127.db2.gz KQKHNNNLTAXXRO-FXUDXRNXSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246835051 394522435 /nfs/dbraw/zinc/52/24/35/394522435.db2.gz BVILFBOSGJHSLU-YVSFHVDLSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246835051 394522438 /nfs/dbraw/zinc/52/24/38/394522438.db2.gz BVILFBOSGJHSLU-YVSFHVDLSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246835051 394522440 /nfs/dbraw/zinc/52/24/40/394522440.db2.gz BVILFBOSGJHSLU-YVSFHVDLSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[C@@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000307808727 394523282 /nfs/dbraw/zinc/52/32/82/394523282.db2.gz MRYNAMIOZCDOOG-NSHDSACASA-N 2 1 266.389 2.131 20 0 CEADMP CC(C)C[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000307808727 394523286 /nfs/dbraw/zinc/52/32/86/394523286.db2.gz MRYNAMIOZCDOOG-NSHDSACASA-N 2 1 266.389 2.131 20 0 CEADMP C[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCS1 ZINC000310310163 394535428 /nfs/dbraw/zinc/53/54/28/394535428.db2.gz WHCTZYCHDYRLCW-CQSZACIVSA-N 2 1 254.443 2.489 20 0 CEADMP CCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCOCC1 ZINC000311730481 394538501 /nfs/dbraw/zinc/53/85/01/394538501.db2.gz YWLIYMKCSAVZCC-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@H+](C)CC[C@H]2CCCC[NH+]2C)O1 ZINC000248974120 394550157 /nfs/dbraw/zinc/55/01/57/394550157.db2.gz SZWPRSCKBXFFES-KFWWJZLASA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)O1 ZINC000248974120 394550158 /nfs/dbraw/zinc/55/01/58/394550158.db2.gz SZWPRSCKBXFFES-KFWWJZLASA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)O1 ZINC000248974120 394550159 /nfs/dbraw/zinc/55/01/59/394550159.db2.gz SZWPRSCKBXFFES-KFWWJZLASA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH+](C)CC[C@H]2CCCC[N@H+]2C)O1 ZINC000248974120 394550160 /nfs/dbraw/zinc/55/01/60/394550160.db2.gz SZWPRSCKBXFFES-KFWWJZLASA-N 2 1 254.418 2.360 20 0 CEADMP C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CCCCO1 ZINC000257747694 394597191 /nfs/dbraw/zinc/59/71/91/394597191.db2.gz ZXOIBBOSZSXSEO-GJZGRUSLSA-N 2 1 252.402 2.021 20 0 CEADMP CCOc1ccc2c(c1)CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000261644279 394604850 /nfs/dbraw/zinc/60/48/50/394604850.db2.gz ALRQCKJJIIIYAG-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP CCOc1ccc2c(c1)CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000261644279 394604854 /nfs/dbraw/zinc/60/48/54/394604854.db2.gz ALRQCKJJIIIYAG-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OCC1CC1 ZINC000075836030 394612986 /nfs/dbraw/zinc/61/29/86/394612986.db2.gz GIVJRQKTLZFKHW-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OCC1CC1 ZINC000075836030 394612990 /nfs/dbraw/zinc/61/29/90/394612990.db2.gz GIVJRQKTLZFKHW-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP CCCC[NH+]1CCC([NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000093464827 394667467 /nfs/dbraw/zinc/66/74/67/394667467.db2.gz XHRKQNWHQIJSDG-GOEBONIOSA-N 3 1 267.461 2.371 20 0 CEADMP COc1ccc2c(c1)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000262231025 394615188 /nfs/dbraw/zinc/61/51/88/394615188.db2.gz NXBCROJZCWBYJF-UHFFFAOYSA-N 2 1 260.381 2.053 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCO1 ZINC000421864389 394620457 /nfs/dbraw/zinc/62/04/57/394620457.db2.gz XRXCSZSZTJSRRZ-IBEHDNSVSA-N 2 1 266.429 2.406 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000356826884 394624133 /nfs/dbraw/zinc/62/41/33/394624133.db2.gz DTCBQYWMASNTBD-MRXNPFEDSA-N 2 1 297.487 2.438 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CCCOC1 ZINC000356905214 394648593 /nfs/dbraw/zinc/64/85/93/394648593.db2.gz URWFVXAUPSBXSG-CVEARBPZSA-N 2 1 296.455 2.036 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356907437 394649565 /nfs/dbraw/zinc/64/95/65/394649565.db2.gz XAEBVEWEEJFSAZ-DZGCQCFKSA-N 2 1 265.401 2.376 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000422707056 394730996 /nfs/dbraw/zinc/73/09/96/394730996.db2.gz GNWSWHJQRSSLAD-SLEUVZQESA-N 2 1 267.392 2.144 20 0 CEADMP C[N@H+](CC[NH2+]C1CCC(C[NH3+])CC1)C1CCCCC1 ZINC000422709653 394731678 /nfs/dbraw/zinc/73/16/78/394731678.db2.gz ZLYCAPMFQXAAKE-UHFFFAOYSA-N 3 1 267.461 2.358 20 0 CEADMP C[N@@H+](CC[NH2+]C1CCC(C[NH3+])CC1)C1CCCCC1 ZINC000422709653 394731683 /nfs/dbraw/zinc/73/16/83/394731683.db2.gz ZLYCAPMFQXAAKE-UHFFFAOYSA-N 3 1 267.461 2.358 20 0 CEADMP N[C@@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422710562 394732760 /nfs/dbraw/zinc/73/27/60/394732760.db2.gz GBTRMBFMGIIVNV-HUUCEWRRSA-N 2 1 253.434 2.112 20 0 CEADMP N[C@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422710561 394733094 /nfs/dbraw/zinc/73/30/94/394733094.db2.gz GBTRMBFMGIIVNV-GJZGRUSLSA-N 2 1 253.434 2.112 20 0 CEADMP COc1cccc(N2CC[C@H]([NH2+][C@H](C)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422715111 394735959 /nfs/dbraw/zinc/73/59/59/394735959.db2.gz RPMOYROMQAWFRI-KEYYUXOJSA-N 2 1 289.423 2.004 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422717121 394737250 /nfs/dbraw/zinc/73/72/50/394737250.db2.gz VLUVADAXCGACEI-RDJZCZTQSA-N 2 1 277.456 2.266 20 0 CEADMP Cc1cc[nH+]c(NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000270748212 394739045 /nfs/dbraw/zinc/73/90/45/394739045.db2.gz XCYZTFIVPPMUIT-UHFFFAOYSA-N 2 1 286.379 2.338 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CCC(C)(C)C)CC[N@@H+]1C ZINC000359073788 394740066 /nfs/dbraw/zinc/74/00/66/394740066.db2.gz WELHVCRRHXKEDO-MCIONIFRSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CCC(C)(C)C)CC[N@H+]1C ZINC000359073788 394740071 /nfs/dbraw/zinc/74/00/71/394740071.db2.gz WELHVCRRHXKEDO-MCIONIFRSA-N 2 1 256.434 2.246 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000422727487 394743038 /nfs/dbraw/zinc/74/30/38/394743038.db2.gz CPTMQGNHJOORCF-ZIAGYGMSSA-N 2 1 278.396 2.453 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CCO1 ZINC000356984913 394672281 /nfs/dbraw/zinc/67/22/81/394672281.db2.gz IKUAYSGCSORLSQ-HRCADAONSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH+](C)C[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000356984913 394672285 /nfs/dbraw/zinc/67/22/85/394672285.db2.gz IKUAYSGCSORLSQ-HRCADAONSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000356984913 394672288 /nfs/dbraw/zinc/67/22/88/394672288.db2.gz IKUAYSGCSORLSQ-HRCADAONSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@@H](NCC[N@@H+]1CCc2sccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422730373 394745304 /nfs/dbraw/zinc/74/53/04/394745304.db2.gz DPWVYKJQIIPEME-HIFRSBDPSA-N 2 1 293.480 2.226 20 0 CEADMP C[C@@H](NCC[N@H+]1CCc2sccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422730373 394745308 /nfs/dbraw/zinc/74/53/08/394745308.db2.gz DPWVYKJQIIPEME-HIFRSBDPSA-N 2 1 293.480 2.226 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000414070427 394693893 /nfs/dbraw/zinc/69/38/93/394693893.db2.gz JWNHCUQXPULBAG-UONOGXRCSA-N 2 1 279.428 2.341 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000414070427 394693897 /nfs/dbraw/zinc/69/38/97/394693897.db2.gz JWNHCUQXPULBAG-UONOGXRCSA-N 2 1 279.428 2.341 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(C)c1 ZINC000414073835 394694710 /nfs/dbraw/zinc/69/47/10/394694710.db2.gz NOJYYZXAROHQMH-LSDHHAIUSA-N 2 1 292.423 2.111 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000268922068 394702301 /nfs/dbraw/zinc/70/23/01/394702301.db2.gz OWUWMALHLZZUKB-UONOGXRCSA-N 2 1 266.385 2.167 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000422733150 394746556 /nfs/dbraw/zinc/74/65/56/394746556.db2.gz QRCFBWVBIXOYMD-KBRIMQKVSA-N 2 1 293.430 2.406 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)n2c1 ZINC000422558528 394709828 /nfs/dbraw/zinc/70/98/28/394709828.db2.gz BAQQJQSPZRXWCM-ILXRZTDVSA-N 2 1 286.423 2.448 20 0 CEADMP CC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@H]1C[C@H]1C ZINC000414129870 394711233 /nfs/dbraw/zinc/71/12/33/394711233.db2.gz VPDHKCGAXLRHQT-RDBSUJKOSA-N 2 1 254.418 2.121 20 0 CEADMP CCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)n1 ZINC000422561820 394711510 /nfs/dbraw/zinc/71/15/10/394711510.db2.gz NMIGARLGBTUPRK-RDBSUJKOSA-N 2 1 277.412 2.286 20 0 CEADMP CCOc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)n1 ZINC000422561820 394711513 /nfs/dbraw/zinc/71/15/13/394711513.db2.gz NMIGARLGBTUPRK-RDBSUJKOSA-N 2 1 277.412 2.286 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422735005 394747261 /nfs/dbraw/zinc/74/72/61/394747261.db2.gz UCYPIPFMYDLKTN-VFSICIBPSA-N 2 1 265.445 2.124 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC(C)(C)CC[NH3+] ZINC000422592617 394715926 /nfs/dbraw/zinc/71/59/26/394715926.db2.gz FBELVLLRKCJJDD-AWEZNQCLSA-N 2 1 298.475 2.068 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)nn1C ZINC000414174682 394722530 /nfs/dbraw/zinc/72/25/30/394722530.db2.gz GSRZXELGCIYMHS-UONOGXRCSA-N 2 1 264.417 2.111 20 0 CEADMP COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422686433 394723369 /nfs/dbraw/zinc/72/33/69/394723369.db2.gz ADSGRVSDROWILT-VHSXEESVSA-N 2 1 252.333 2.093 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc2c[nH+]cn2c1 ZINC000414194921 394727987 /nfs/dbraw/zinc/72/79/87/394727987.db2.gz WEYJDHDGXPMTEJ-XJKCOSOUSA-N 2 1 272.396 2.153 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422704512 394728374 /nfs/dbraw/zinc/72/83/74/394728374.db2.gz PVJLKATVCBCVNK-WFASDCNBSA-N 2 1 272.396 2.083 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422744385 394754367 /nfs/dbraw/zinc/75/43/67/394754367.db2.gz SSAMYUGYLQWAEA-BRWVUGGUSA-N 2 1 273.424 2.120 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000422744385 394754370 /nfs/dbraw/zinc/75/43/70/394754370.db2.gz SSAMYUGYLQWAEA-BRWVUGGUSA-N 2 1 273.424 2.120 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422745510 394755381 /nfs/dbraw/zinc/75/53/81/394755381.db2.gz VHRKBZVINLKXAV-OAGGEKHMSA-N 3 1 267.461 2.085 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422745510 394755382 /nfs/dbraw/zinc/75/53/82/394755382.db2.gz VHRKBZVINLKXAV-OAGGEKHMSA-N 2 1 267.461 2.085 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422745510 394755387 /nfs/dbraw/zinc/75/53/87/394755387.db2.gz VHRKBZVINLKXAV-OAGGEKHMSA-N 2 1 267.461 2.085 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccnn1-c1ccccc1C ZINC000414829436 394758013 /nfs/dbraw/zinc/75/80/13/394758013.db2.gz AVQDTKLQKVVCPT-CYBMUJFWSA-N 2 1 272.396 2.126 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422753205 394759649 /nfs/dbraw/zinc/75/96/49/394759649.db2.gz FUGLDGJMWWNAEI-PMPSAXMXSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422753205 394759652 /nfs/dbraw/zinc/75/96/52/394759652.db2.gz FUGLDGJMWWNAEI-PMPSAXMXSA-N 2 1 281.488 2.475 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2(COC)CCC2)[C@H](C)C1 ZINC000361316867 394822698 /nfs/dbraw/zinc/82/26/98/394822698.db2.gz WLDYFQWXEDFIRB-CABCVRRESA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2(COC)CCC2)[C@H](C)C1 ZINC000361316867 394822700 /nfs/dbraw/zinc/82/27/00/394822700.db2.gz WLDYFQWXEDFIRB-CABCVRRESA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(COC)CCC2)[C@H](C)C1 ZINC000361316867 394822702 /nfs/dbraw/zinc/82/27/02/394822702.db2.gz WLDYFQWXEDFIRB-CABCVRRESA-N 2 1 268.445 2.465 20 0 CEADMP C[C@H]([NH2+]CCN1c2ccccc2C[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422759873 394764656 /nfs/dbraw/zinc/76/46/56/394764656.db2.gz KHJUMLIHVPHYNE-OFQRWUPVSA-N 2 1 273.424 2.168 20 0 CEADMP C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)C1C[NH2+]C1 ZINC000422763055 394766420 /nfs/dbraw/zinc/76/64/20/394766420.db2.gz OLIRLRJBXDHWSS-NHYWBVRUSA-N 2 1 281.831 2.140 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@H]2CCC[NH2+]2)C1 ZINC000414844618 394767301 /nfs/dbraw/zinc/76/73/01/394767301.db2.gz LAFLQDMKENVXDQ-OIISXLGYSA-N 2 1 273.424 2.164 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422764585 394768263 /nfs/dbraw/zinc/76/82/63/394768263.db2.gz PWHGNEUVEOKDFM-RBSFLKMASA-N 2 1 267.461 2.085 20 0 CEADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422765491 394769237 /nfs/dbraw/zinc/76/92/37/394769237.db2.gz WFHVBAPCUOJYJQ-WFVVYAPDSA-N 2 1 273.424 2.162 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000422766894 394769740 /nfs/dbraw/zinc/76/97/40/394769740.db2.gz QJNYTEUCFRYUNY-RISCZKNCSA-N 2 1 252.789 2.470 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc(CC(C)C)s1 ZINC000414850644 394770663 /nfs/dbraw/zinc/77/06/63/394770663.db2.gz ZOOYQXDUGRIXNV-NSHDSACASA-N 2 1 255.431 2.287 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422772129 394773535 /nfs/dbraw/zinc/77/35/35/394773535.db2.gz YUFVFXXXOQPFQZ-ZBEGNZNMSA-N 2 1 275.371 2.437 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000422771772 394773612 /nfs/dbraw/zinc/77/36/12/394773612.db2.gz YOZSRXLJYBETCK-KBXIAJHMSA-N 2 1 268.445 2.415 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CCSC1)CC[NH2+]CC2 ZINC000335545187 394773839 /nfs/dbraw/zinc/77/38/39/394773839.db2.gz XSQXEYLAOWWVIA-OLZOCXBDSA-N 2 1 254.443 2.204 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(CO)cc2)[C@H](C)C1 ZINC000272489208 394774634 /nfs/dbraw/zinc/77/46/34/394774634.db2.gz MVZVUSPJPYCWBQ-RHSMWYFYSA-N 2 1 276.424 2.341 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(CO)cc2)[C@H](C)C1 ZINC000272489208 394774639 /nfs/dbraw/zinc/77/46/39/394774639.db2.gz MVZVUSPJPYCWBQ-RHSMWYFYSA-N 2 1 276.424 2.341 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(CO)cc2)[C@H](C)C1 ZINC000272489208 394774644 /nfs/dbraw/zinc/77/46/44/394774644.db2.gz MVZVUSPJPYCWBQ-RHSMWYFYSA-N 2 1 276.424 2.341 20 0 CEADMP CC[N@H+]1CC[C@H](NCC2([NH3+])CCCCCC2)[C@@H](C)C1 ZINC000414862132 394776098 /nfs/dbraw/zinc/77/60/98/394776098.db2.gz UVODCDSTZNPIAT-GJZGRUSLSA-N 2 1 267.461 2.358 20 0 CEADMP C[NH2+]CCC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414861691 394776121 /nfs/dbraw/zinc/77/61/21/394776121.db2.gz SXWXYDIOUYBJMP-UHFFFAOYSA-N 2 1 293.430 2.032 20 0 CEADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422778549 394777280 /nfs/dbraw/zinc/77/72/80/394777280.db2.gz DUMOARGJAYWPOZ-IAGOWNOFSA-N 3 1 275.440 2.498 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)Oc1cccc(F)c1 ZINC000422780735 394779778 /nfs/dbraw/zinc/77/97/78/394779778.db2.gz DHIYFSOSUMVOMS-HUBLWGQQSA-N 2 1 266.360 2.323 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000422782634 394781983 /nfs/dbraw/zinc/78/19/83/394781983.db2.gz GTSVPJSHMBJWFO-MBNYWOFBSA-N 2 1 266.360 2.323 20 0 CEADMP CC[C@H](C)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000120716848 394783198 /nfs/dbraw/zinc/78/31/98/394783198.db2.gz XSPMVVNKJOVJDS-HOTGVXAUSA-N 2 1 267.461 2.134 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCCO[C@@H]2CC(C)C)CC1 ZINC000360044206 394784541 /nfs/dbraw/zinc/78/45/41/394784541.db2.gz CEIPKHGCRMQJDN-DLBZAZTESA-N 2 1 298.471 2.281 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CC[NH2+]C1 ZINC000414883633 394786423 /nfs/dbraw/zinc/78/64/23/394786423.db2.gz NQVLZTMNKSOAGN-INIZCTEOSA-N 2 1 275.440 2.096 20 0 CEADMP [NH3+][C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000414887882 394789333 /nfs/dbraw/zinc/78/93/33/394789333.db2.gz JEYXNOSOSQDGSD-NCXUSEDFSA-N 2 1 299.462 2.224 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CCC1 ZINC000414889230 394790304 /nfs/dbraw/zinc/79/03/04/394790304.db2.gz SGNQLYLCMYVHJQ-UHFFFAOYSA-N 2 1 256.353 2.048 20 0 CEADMP CC(C)Cn1ccnc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422794217 394791769 /nfs/dbraw/zinc/79/17/69/394791769.db2.gz YVOVLVOGUHBTNE-ZIAGYGMSSA-N 2 1 264.417 2.146 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1cccc(OC(F)F)c1)C1CC1 ZINC000414895002 394792434 /nfs/dbraw/zinc/79/24/34/394792434.db2.gz MHKDQEUYGHWZAJ-LBPRGKRZSA-N 2 1 256.296 2.115 20 0 CEADMP COCCOc1ccccc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414896456 394793842 /nfs/dbraw/zinc/79/38/42/394793842.db2.gz BWJVIOYPZQNITM-KRWDZBQOSA-N 2 1 292.423 2.191 20 0 CEADMP Clc1ccc2ncc(C[NH2+]CC[C@H]3CCC[NH2+]3)n2c1 ZINC000414905549 394797751 /nfs/dbraw/zinc/79/77/51/394797751.db2.gz OHKCQMWXDHUWPE-GFCCVEGCSA-N 2 1 278.787 2.219 20 0 CEADMP CC[C@H](NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422802331 394798095 /nfs/dbraw/zinc/79/80/95/394798095.db2.gz HHVBYSFZXBVMGK-SOUVJXGZSA-N 2 1 281.469 2.471 20 0 CEADMP Fc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc(F)c1F ZINC000414908187 394798613 /nfs/dbraw/zinc/79/86/13/394798613.db2.gz RJNIOUWVCMZKLX-SNVBAGLBSA-N 2 1 258.287 2.336 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](N[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000414908287 394800011 /nfs/dbraw/zinc/80/00/11/394800011.db2.gz BFQBXSCFWLPEHR-ZSYWTGECSA-N 2 1 299.462 2.239 20 0 CEADMP Cc1c([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)cnn1C ZINC000360776904 394807818 /nfs/dbraw/zinc/80/78/18/394807818.db2.gz HXAPZUNZPANSSI-HOCLYGCPSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1c([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cnn1C ZINC000360776904 394807821 /nfs/dbraw/zinc/80/78/21/394807821.db2.gz HXAPZUNZPANSSI-HOCLYGCPSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1c([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)cnn1C ZINC000360776904 394807824 /nfs/dbraw/zinc/80/78/24/394807824.db2.gz HXAPZUNZPANSSI-HOCLYGCPSA-N 2 1 276.428 2.350 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000335959744 394814565 /nfs/dbraw/zinc/81/45/65/394814565.db2.gz YBCROSVWBRXBER-RHSMWYFYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000335959744 394814570 /nfs/dbraw/zinc/81/45/70/394814570.db2.gz YBCROSVWBRXBER-RHSMWYFYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414945315 394817073 /nfs/dbraw/zinc/81/70/73/394817073.db2.gz QADYFAARQSHICB-IUCAKERBSA-N 2 1 289.192 2.456 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422830562 394817389 /nfs/dbraw/zinc/81/73/89/394817389.db2.gz IRERVNIODCCIEH-UXLLHSPISA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422830562 394817391 /nfs/dbraw/zinc/81/73/91/394817391.db2.gz IRERVNIODCCIEH-UXLLHSPISA-N 2 1 275.440 2.366 20 0 CEADMP CC1([NH2+]Cc2cnn(Cc3ccccc3)c2)CC[NH2+]CC1 ZINC000414947844 394817699 /nfs/dbraw/zinc/81/76/99/394817699.db2.gz XEVWFNSTVMENKK-UHFFFAOYSA-N 2 1 284.407 2.163 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422832353 394817994 /nfs/dbraw/zinc/81/79/94/394817994.db2.gz FVPAOZGIQHBBRM-DMRKSPOLSA-N 2 1 279.472 2.370 20 0 CEADMP CC(C)CC[NH+]1CCC(CN[C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422834507 394819031 /nfs/dbraw/zinc/81/90/31/394819031.db2.gz HPGJKDRJRMBCIR-WBVHZDCISA-N 2 1 281.488 2.475 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@H](CCOC)Cc1cccc(F)c1 ZINC000414951210 394820296 /nfs/dbraw/zinc/82/02/96/394820296.db2.gz HGXYFHBOORFJIE-CZUORRHYSA-N 2 1 282.403 2.361 20 0 CEADMP COC[C@@]1(C[NH2+][C@H](C)Cc2ccccc2C)CCC[NH2+]1 ZINC000414951014 394820701 /nfs/dbraw/zinc/82/07/01/394820701.db2.gz GCDTYSUFLHUMSD-WBVHZDCISA-N 2 1 276.424 2.284 20 0 CEADMP CCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414952529 394821827 /nfs/dbraw/zinc/82/18/27/394821827.db2.gz QWTNFFISEBAUNC-JSGCOSHPSA-N 2 1 278.396 2.324 20 0 CEADMP CC(C)C[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415047624 394862785 /nfs/dbraw/zinc/86/27/85/394862785.db2.gz FDVNMMWOSNRVHH-FHERZECASA-N 2 1 267.461 2.227 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000415053856 394865806 /nfs/dbraw/zinc/86/58/06/394865806.db2.gz PEMQGLQZPVZHPO-UKRRQHHQSA-N 2 1 275.396 2.060 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422944658 394867742 /nfs/dbraw/zinc/86/77/42/394867742.db2.gz LUJNVJXQVYXRSE-NWDGAFQWSA-N 2 1 256.296 2.257 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000415059378 394868371 /nfs/dbraw/zinc/86/83/71/394868371.db2.gz XWHYDOHKDKJHPS-OAHLLOKOSA-N 2 1 272.396 2.335 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)CC[N@H+]1C ZINC000129575141 394869588 /nfs/dbraw/zinc/86/95/88/394869588.db2.gz ZLCVQUGWONCZIF-OAGGEKHMSA-N 2 1 291.439 2.489 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000336702896 394870981 /nfs/dbraw/zinc/87/09/81/394870981.db2.gz IFIJYCVZIDNCAZ-CABCVRRESA-N 2 1 254.418 2.077 20 0 CEADMP CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422971558 394871788 /nfs/dbraw/zinc/87/17/88/394871788.db2.gz JDVKAEDFQDOJGJ-HIFRSBDPSA-N 2 1 290.455 2.231 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422971558 394871792 /nfs/dbraw/zinc/87/17/92/394871792.db2.gz JDVKAEDFQDOJGJ-HIFRSBDPSA-N 3 1 290.455 2.231 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000422971558 394871795 /nfs/dbraw/zinc/87/17/95/394871795.db2.gz JDVKAEDFQDOJGJ-HIFRSBDPSA-N 3 1 290.455 2.231 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422982674 394872596 /nfs/dbraw/zinc/87/25/96/394872596.db2.gz XMIRBYZDNRABCF-WFASDCNBSA-N 2 1 265.401 2.332 20 0 CEADMP C[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C[C@@H](O)C[NH3+] ZINC000415068602 394872977 /nfs/dbraw/zinc/87/29/77/394872977.db2.gz NFOGPURETFFTFH-NSHDSACASA-N 2 1 296.720 2.110 20 0 CEADMP C[N@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C[C@@H](O)C[NH3+] ZINC000415068602 394872981 /nfs/dbraw/zinc/87/29/81/394872981.db2.gz NFOGPURETFFTFH-NSHDSACASA-N 2 1 296.720 2.110 20 0 CEADMP COc1cc2c(c(C[NH2+]CCC[NH2+]C3CC3)c1)O[C@H](C)C2 ZINC000415070262 394874565 /nfs/dbraw/zinc/87/45/65/394874565.db2.gz QHXMMXKZXVJHQE-GFCCVEGCSA-N 2 1 290.407 2.250 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422992747 394877481 /nfs/dbraw/zinc/87/74/81/394877481.db2.gz DJJYZYNLZVVDHY-PMPSAXMXSA-N 2 1 267.461 2.085 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000336820220 394879118 /nfs/dbraw/zinc/87/91/18/394879118.db2.gz CDNUMGNRJRAAOU-OWCLPIDISA-N 2 1 298.496 2.457 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000336820220 394879121 /nfs/dbraw/zinc/87/91/21/394879121.db2.gz CDNUMGNRJRAAOU-OWCLPIDISA-N 2 1 298.496 2.457 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000336820220 394879126 /nfs/dbraw/zinc/87/91/26/394879126.db2.gz CDNUMGNRJRAAOU-OWCLPIDISA-N 2 1 298.496 2.457 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC3(C)COC3)C2)CC1 ZINC000336824939 394880534 /nfs/dbraw/zinc/88/05/34/394880534.db2.gz WOBAFCDQAUBZAQ-MRXNPFEDSA-N 2 1 280.456 2.467 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422857422 394832549 /nfs/dbraw/zinc/83/25/49/394832549.db2.gz HMVLKQZFIFFYHS-YYIAUSFCSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422857422 394832555 /nfs/dbraw/zinc/83/25/55/394832555.db2.gz HMVLKQZFIFFYHS-YYIAUSFCSA-N 2 1 279.472 2.371 20 0 CEADMP O=C1CCCN1c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422856841 394832676 /nfs/dbraw/zinc/83/26/76/394832676.db2.gz GRXJVNLPHZKABW-XYPWUTKMSA-N 2 1 299.418 2.186 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000336195681 394833188 /nfs/dbraw/zinc/83/31/88/394833188.db2.gz IEKXPBIZMOBGQV-VXGBXAGGSA-N 2 1 271.364 2.110 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000422858937 394833701 /nfs/dbraw/zinc/83/37/01/394833701.db2.gz GTQNIPGNHXMJPB-IMPMIVQMSA-N 2 1 277.456 2.122 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CN1C1CC1 ZINC000422858937 394833706 /nfs/dbraw/zinc/83/37/06/394833706.db2.gz GTQNIPGNHXMJPB-IMPMIVQMSA-N 2 1 277.456 2.122 20 0 CEADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1 ZINC000414977238 394833767 /nfs/dbraw/zinc/83/37/67/394833767.db2.gz PRSVNFOTTCXJAU-BZSNNMDCSA-N 2 1 287.451 2.124 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000414976607 394834024 /nfs/dbraw/zinc/83/40/24/394834024.db2.gz ILFUQEHRDCSAFF-LLVKDONJSA-N 2 1 262.332 2.043 20 0 CEADMP CCOc1ccc(C[NH2+]C[C@H]([NH3+])CC)cc1OCC ZINC000414978501 394834990 /nfs/dbraw/zinc/83/49/90/394834990.db2.gz MBLDFXZQKQKUFH-CYBMUJFWSA-N 2 1 266.385 2.311 20 0 CEADMP C[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000422862324 394835888 /nfs/dbraw/zinc/83/58/88/394835888.db2.gz NNTNPIIBIHTXRV-FXUDXRNXSA-N 2 1 267.461 2.370 20 0 CEADMP C[C@H]([NH2+]C[C@@](C)(CO)Cc1ccccc1)c1c[nH+]ccc1N ZINC000423083541 394885895 /nfs/dbraw/zinc/88/58/95/394885895.db2.gz YVZIRFJGMWXIOU-KSSFIOAISA-N 2 1 299.418 2.386 20 0 CEADMP COCC[C@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000124176753 394837716 /nfs/dbraw/zinc/83/77/16/394837716.db2.gz AZXZYPUDXGZNDT-HNNXBMFYSA-N 2 1 276.424 2.449 20 0 CEADMP COCC[C@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000124176753 394837718 /nfs/dbraw/zinc/83/77/18/394837718.db2.gz AZXZYPUDXGZNDT-HNNXBMFYSA-N 2 1 276.424 2.449 20 0 CEADMP C[C@H](N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422873251 394842698 /nfs/dbraw/zinc/84/26/98/394842698.db2.gz KRFDVEOTPKCVGI-MXSMSXNCSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000422878691 394846051 /nfs/dbraw/zinc/84/60/51/394846051.db2.gz UCVGNYXLAVUAJM-XBVQOTNRSA-N 2 1 273.424 2.119 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])CN1Cc1ccccc1 ZINC000422878691 394846056 /nfs/dbraw/zinc/84/60/56/394846056.db2.gz UCVGNYXLAVUAJM-XBVQOTNRSA-N 2 1 273.424 2.119 20 0 CEADMP CCCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1OC ZINC000415013402 394849430 /nfs/dbraw/zinc/84/94/30/394849430.db2.gz UYNDQAQNBZKXQJ-NEPJUHHUSA-N 2 1 266.385 2.309 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422886782 394850124 /nfs/dbraw/zinc/85/01/24/394850124.db2.gz XRGGTYDDGZZYGC-BRWVUGGUSA-N 3 1 281.488 2.476 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423025811 394883877 /nfs/dbraw/zinc/88/38/77/394883877.db2.gz ACBIBFORWMHDLC-BHYGNILZSA-N 2 1 276.424 2.100 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415018879 394850722 /nfs/dbraw/zinc/85/07/22/394850722.db2.gz HFVAGWFQCHZRAL-KBMXLJTQSA-N 3 1 261.413 2.197 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c(Cl)c1 ZINC000422892152 394852707 /nfs/dbraw/zinc/85/27/07/394852707.db2.gz XOIVNAAHNNXLBO-XHDPSFHLSA-N 2 1 282.815 2.479 20 0 CEADMP COCCOc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422894467 394854075 /nfs/dbraw/zinc/85/40/75/394854075.db2.gz CHRUEIGOCFJYFE-IRXDYDNUSA-N 2 1 292.423 2.461 20 0 CEADMP COCCOc1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422894468 394854085 /nfs/dbraw/zinc/85/40/85/394854085.db2.gz CHRUEIGOCFJYFE-SJORKVTESA-N 2 1 292.423 2.461 20 0 CEADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CCCC1 ZINC000128609140 394854817 /nfs/dbraw/zinc/85/48/17/394854817.db2.gz AGNNFVDMIFJAIN-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422902838 394856164 /nfs/dbraw/zinc/85/61/64/394856164.db2.gz DRWJVPNZHMXEPP-QLFBSQMISA-N 3 1 267.461 2.356 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H](C)C2C[NH2+]C2)C1 ZINC000422904316 394857380 /nfs/dbraw/zinc/85/73/80/394857380.db2.gz GUEDVXHJSDAAMD-ZIAGYGMSSA-N 2 1 267.461 2.085 20 0 CEADMP CC(C)[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000337340563 394889013 /nfs/dbraw/zinc/88/90/13/394889013.db2.gz SZBRBUFKANQKAG-MRXNPFEDSA-N 2 1 269.477 2.379 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423266990 394889139 /nfs/dbraw/zinc/88/91/39/394889139.db2.gz DNDJLSHWMSGBQH-UAGQMJEPSA-N 2 1 275.440 2.267 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000423266990 394889143 /nfs/dbraw/zinc/88/91/43/394889143.db2.gz DNDJLSHWMSGBQH-UAGQMJEPSA-N 2 1 275.440 2.267 20 0 CEADMP Cc1cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc2cccnc12 ZINC000415101536 394890069 /nfs/dbraw/zinc/89/00/69/394890069.db2.gz CEBBQBKNXSHYPC-INIZCTEOSA-N 2 1 285.391 2.093 20 0 CEADMP Cc1cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc2cccnc12 ZINC000415101536 394890073 /nfs/dbraw/zinc/89/00/73/394890073.db2.gz CEBBQBKNXSHYPC-INIZCTEOSA-N 2 1 285.391 2.093 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+][C@H](C)C[NH3+])cc1OC ZINC000423340133 394890641 /nfs/dbraw/zinc/89/06/41/394890641.db2.gz WYHIVDRIRMVBBQ-MNOVXSKESA-N 2 1 252.358 2.010 20 0 CEADMP C(C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423355852 394898779 /nfs/dbraw/zinc/89/87/79/394898779.db2.gz IQEJMPJTTRDFQQ-QKPAOTATSA-N 3 1 265.445 2.029 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000423355120 394899393 /nfs/dbraw/zinc/89/93/93/394899393.db2.gz DWEKOTYPQQPZMN-QWHCGFSZSA-N 2 1 278.396 2.497 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000415130381 394900184 /nfs/dbraw/zinc/90/01/84/394900184.db2.gz QUBFDSQJQKQAPL-BBRMVZONSA-N 2 1 261.413 2.239 20 0 CEADMP COCCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415131017 394900234 /nfs/dbraw/zinc/90/02/34/394900234.db2.gz RRNXOGLKSOIYPA-ZBFHGGJFSA-N 2 1 292.423 2.129 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000423368309 394903521 /nfs/dbraw/zinc/90/35/21/394903521.db2.gz ZLKYWWWIYLLAHF-XHSDSOJGSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2c1cccc2Br ZINC000423370727 394904244 /nfs/dbraw/zinc/90/42/44/394904244.db2.gz PUJYNTCVQQRBIG-QPUJVOFHSA-N 2 1 269.186 2.373 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423369551 394904610 /nfs/dbraw/zinc/90/46/10/394904610.db2.gz FCMKHPGZPJBMNN-ZDUSSCGKSA-N 2 1 277.412 2.168 20 0 CEADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423393435 394912196 /nfs/dbraw/zinc/91/21/96/394912196.db2.gz REFZDKPXWLAMQI-CABCVRRESA-N 2 1 278.444 2.276 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)CC1CCCC1)CC2 ZINC000364521896 394912367 /nfs/dbraw/zinc/91/23/67/394912367.db2.gz ZBKSESIBJICGGT-INIZCTEOSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)CC1CCCC1)CC2 ZINC000364521896 394912371 /nfs/dbraw/zinc/91/23/71/394912371.db2.gz ZBKSESIBJICGGT-INIZCTEOSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(F)c(F)c2)CC1(C)C ZINC000282434877 394919156 /nfs/dbraw/zinc/91/91/56/394919156.db2.gz RMTDNDSOMBJQMM-UHFFFAOYSA-N 2 1 297.393 2.080 20 0 CEADMP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)s1 ZINC000423423714 394919888 /nfs/dbraw/zinc/91/98/88/394919888.db2.gz DWGBFYOPCPBVKT-LITAXDCLSA-N 2 1 287.226 2.379 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000423441226 394921366 /nfs/dbraw/zinc/92/13/66/394921366.db2.gz BDCOGXNMFUWNRP-GWCFXTLKSA-N 2 1 252.333 2.149 20 0 CEADMP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccc(C(=O)OC)cc1 ZINC000423455772 394924646 /nfs/dbraw/zinc/92/46/46/394924646.db2.gz CUOZIMOUVTZNDJ-SUNKGSAMSA-N 2 1 264.369 2.250 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(C)c1 ZINC000423490078 394934556 /nfs/dbraw/zinc/93/45/56/394934556.db2.gz HMDTYYQMLNTJTF-HZPDHXFCSA-N 2 1 262.397 2.414 20 0 CEADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423493744 394935635 /nfs/dbraw/zinc/93/56/35/394935635.db2.gz QZUYGVFPGNCZGM-XNJGSVPQSA-N 2 1 292.398 2.417 20 0 CEADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000423509750 394941654 /nfs/dbraw/zinc/94/16/54/394941654.db2.gz JDFLDHLMZPJFHK-GJZGRUSLSA-N 2 1 262.397 2.333 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000423523565 394945377 /nfs/dbraw/zinc/94/53/77/394945377.db2.gz SBRZOBSLAMNKNC-QLFBSQMISA-N 2 1 267.461 2.085 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000366725287 394951686 /nfs/dbraw/zinc/95/16/86/394951686.db2.gz RTTFTIJOSWUIIX-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366725287 394951689 /nfs/dbraw/zinc/95/16/89/394951689.db2.gz RTTFTIJOSWUIIX-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000366725287 394951691 /nfs/dbraw/zinc/95/16/91/394951691.db2.gz RTTFTIJOSWUIIX-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP CCOCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340186971 394980552 /nfs/dbraw/zinc/98/05/52/394980552.db2.gz OAUJJZCZMZROBN-HOTGVXAUSA-N 2 1 262.397 2.448 20 0 CEADMP CCOCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340186971 394980555 /nfs/dbraw/zinc/98/05/55/394980555.db2.gz OAUJJZCZMZROBN-HOTGVXAUSA-N 2 1 262.397 2.448 20 0 CEADMP CC[N@@H+](CCNC(=O)Nc1ccc(C[NH2+]C)cc1)C1CC1 ZINC000415973634 394989475 /nfs/dbraw/zinc/98/94/75/394989475.db2.gz PCKXCEPGMRKSIT-UHFFFAOYSA-N 2 1 290.411 2.012 20 0 CEADMP CN(CC(=O)N(C)C1CCCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152397477 394996245 /nfs/dbraw/zinc/99/62/45/394996245.db2.gz NWQKYPUCBGFLCJ-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C)c1 ZINC000286084742 395010202 /nfs/dbraw/zinc/01/02/02/395010202.db2.gz MLNDFVHVELVOBE-DLBZAZTESA-N 2 1 276.424 2.492 20 0 CEADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)OC(C)(C)C)C2)C1 ZINC000339431338 394960179 /nfs/dbraw/zinc/96/01/79/394960179.db2.gz ZYJYGCPBDXIEMZ-INIZCTEOSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)OC(C)(C)C)C2)C1 ZINC000339431338 394960180 /nfs/dbraw/zinc/96/01/80/394960180.db2.gz ZYJYGCPBDXIEMZ-INIZCTEOSA-N 2 1 282.428 2.136 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)OC(C)(C)C)C2)C1 ZINC000339431338 394960182 /nfs/dbraw/zinc/96/01/82/394960182.db2.gz ZYJYGCPBDXIEMZ-INIZCTEOSA-N 2 1 282.428 2.136 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)OC(C)(C)C)C2)C1 ZINC000339431338 394960184 /nfs/dbraw/zinc/96/01/84/394960184.db2.gz ZYJYGCPBDXIEMZ-INIZCTEOSA-N 2 1 282.428 2.136 20 0 CEADMP CC[C@H](C[NH2+][C@H](C)C1CCOCC1)[NH+]1CCCC1 ZINC000151719824 394977886 /nfs/dbraw/zinc/97/78/86/394977886.db2.gz JONSIWHEIDDOQL-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340203404 394980383 /nfs/dbraw/zinc/98/03/83/394980383.db2.gz MZIQEULNINZMAJ-OIISXLGYSA-N 2 1 299.422 2.092 20 0 CEADMP C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340203404 394980384 /nfs/dbraw/zinc/98/03/84/394980384.db2.gz MZIQEULNINZMAJ-OIISXLGYSA-N 2 1 299.422 2.092 20 0 CEADMP COCCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158611850 395050047 /nfs/dbraw/zinc/05/00/47/395050047.db2.gz SLWDLQHYMCAMER-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP COCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158611850 395050051 /nfs/dbraw/zinc/05/00/51/395050051.db2.gz SLWDLQHYMCAMER-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP COCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158611850 395050053 /nfs/dbraw/zinc/05/00/53/395050053.db2.gz SLWDLQHYMCAMER-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCCN(CCC)C(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158809678 395054700 /nfs/dbraw/zinc/05/47/00/395054700.db2.gz BOTWZINFRDGXMH-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1)[NH+](C)C ZINC000161821049 395066182 /nfs/dbraw/zinc/06/61/82/395066182.db2.gz ISKAIDZPUZXLFD-GOEBONIOSA-N 2 1 295.471 2.192 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CCC1CCOCC1 ZINC000162250515 395072662 /nfs/dbraw/zinc/07/26/62/395072662.db2.gz KGWZXFZEGLRWOF-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CCC1CCOCC1 ZINC000162250515 395072663 /nfs/dbraw/zinc/07/26/63/395072663.db2.gz KGWZXFZEGLRWOF-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CCC1CCOCC1 ZINC000162250515 395072666 /nfs/dbraw/zinc/07/26/66/395072666.db2.gz KGWZXFZEGLRWOF-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP Cc1nccn1CCCC[N@H+](C)CCCn1ccnc1 ZINC000162307748 395073428 /nfs/dbraw/zinc/07/34/28/395073428.db2.gz AQMHMHUSNQIMQS-UHFFFAOYSA-N 2 1 275.400 2.190 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCCn1ccnc1 ZINC000162307748 395073431 /nfs/dbraw/zinc/07/34/31/395073431.db2.gz AQMHMHUSNQIMQS-UHFFFAOYSA-N 3 1 275.400 2.190 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCCn1ccnc1 ZINC000162307748 395073434 /nfs/dbraw/zinc/07/34/34/395073434.db2.gz AQMHMHUSNQIMQS-UHFFFAOYSA-N 3 1 275.400 2.190 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCC[C@H]1C ZINC000426506176 395077452 /nfs/dbraw/zinc/07/74/52/395077452.db2.gz COVSATNXEPLWLX-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000426506176 395077454 /nfs/dbraw/zinc/07/74/54/395077454.db2.gz COVSATNXEPLWLX-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000426506176 395077455 /nfs/dbraw/zinc/07/74/55/395077455.db2.gz COVSATNXEPLWLX-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc2c1OCC2 ZINC000427124513 395093133 /nfs/dbraw/zinc/09/31/33/395093133.db2.gz SIZXTIPNFHVNMX-IRXDYDNUSA-N 2 1 286.419 2.238 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC000158094508 395037828 /nfs/dbraw/zinc/03/78/28/395037828.db2.gz VXHAJVBRLHDKCO-CQSZACIVSA-N 2 1 277.412 2.302 20 0 CEADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CCOCC1 ZINC000343404045 395038398 /nfs/dbraw/zinc/03/83/98/395038398.db2.gz OCOUKWDTQYGZPQ-LSDHHAIUSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H](C)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343757991 395044515 /nfs/dbraw/zinc/04/45/15/395044515.db2.gz GWSKARPVJSROKO-GJZGRUSLSA-N 2 1 267.461 2.133 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000347042753 395117377 /nfs/dbraw/zinc/11/73/77/395117377.db2.gz MBOQOWCOMUGNKW-KGLIPLIRSA-N 2 1 261.413 2.312 20 0 CEADMP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000494639485 395130075 /nfs/dbraw/zinc/13/00/75/395130075.db2.gz VNKHRGGRTTZTHI-ARFHVFGLSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494651009 395131143 /nfs/dbraw/zinc/13/11/43/395131143.db2.gz AEBIBYGBBWIRRL-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494656337 395131257 /nfs/dbraw/zinc/13/12/57/395131257.db2.gz OFJNWHOXUPQZDP-FZKCQIBNSA-N 2 1 295.471 2.001 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346821600 395108552 /nfs/dbraw/zinc/10/85/52/395108552.db2.gz IWKUHPJTWXXDFD-XHSDSOJGSA-N 2 1 295.471 2.003 20 0 CEADMP COCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377328344 395136613 /nfs/dbraw/zinc/13/66/13/395136613.db2.gz BJTIOQUQZDYDKV-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP COCCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377328344 395136618 /nfs/dbraw/zinc/13/66/18/395136618.db2.gz BJTIOQUQZDYDKV-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP COCCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377328344 395136621 /nfs/dbraw/zinc/13/66/21/395136621.db2.gz BJTIOQUQZDYDKV-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428034312 395134450 /nfs/dbraw/zinc/13/44/50/395134450.db2.gz NYSPJGPQPHJLIF-NVXWUHKLSA-N 2 1 274.408 2.312 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C2CC2)CC1 ZINC000177398189 395150225 /nfs/dbraw/zinc/15/02/25/395150225.db2.gz RCTLFNQPINZQTJ-CYBMUJFWSA-N 2 1 254.418 2.264 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000379190171 395162027 /nfs/dbraw/zinc/16/20/27/395162027.db2.gz IKRLJFBKZRECQG-FVQBIDKESA-N 2 1 262.397 2.291 20 0 CEADMP COCc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)o1 ZINC000382496436 395182217 /nfs/dbraw/zinc/18/22/17/395182217.db2.gz PIYSIIDTRBBSNV-AWEZNQCLSA-N 2 1 254.374 2.231 20 0 CEADMP COCc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)o1 ZINC000382496436 395182220 /nfs/dbraw/zinc/18/22/20/395182220.db2.gz PIYSIIDTRBBSNV-AWEZNQCLSA-N 2 1 254.374 2.231 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351521522 395226973 /nfs/dbraw/zinc/22/69/73/395226973.db2.gz VCAWEBHTYOLWTO-OCVGTWLNSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351521522 395226976 /nfs/dbraw/zinc/22/69/76/395226976.db2.gz VCAWEBHTYOLWTO-OCVGTWLNSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351521522 395226978 /nfs/dbraw/zinc/22/69/78/395226978.db2.gz VCAWEBHTYOLWTO-OCVGTWLNSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351521522 395226982 /nfs/dbraw/zinc/22/69/82/395226982.db2.gz VCAWEBHTYOLWTO-OCVGTWLNSA-N 2 1 266.429 2.095 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@H](C)c1c[nH+]ccc1N)CC2 ZINC000521225653 395254298 /nfs/dbraw/zinc/25/42/98/395254298.db2.gz QEDKPUYCVXTWBS-TZMCWYRMSA-N 2 1 299.422 2.480 20 0 CEADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000399792386 395247510 /nfs/dbraw/zinc/24/75/10/395247510.db2.gz QUARTXXOZRJHEM-HOTGVXAUSA-N 2 1 259.397 2.149 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@@H]1CC[NH2+]C1 ZINC000382766727 395183157 /nfs/dbraw/zinc/18/31/57/395183157.db2.gz WATQYHJYBJGIEI-FUHWJXTLSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000382768110 395183777 /nfs/dbraw/zinc/18/37/77/395183777.db2.gz YRERJDWHMMFBLR-DLBZAZTESA-N 2 1 287.451 2.192 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2(O)CCC(C)CC2)C1 ZINC000516762120 395183987 /nfs/dbraw/zinc/18/39/87/395183987.db2.gz VGFGVVTZKNXBAM-PCKAHOCUSA-N 2 1 268.445 2.249 20 0 CEADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000383429825 395185881 /nfs/dbraw/zinc/18/58/81/395185881.db2.gz VZZIEAFOPQIHGV-IJEWVQPXSA-N 2 1 272.392 2.237 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@]1(C)C[NH3+] ZINC000394445511 395205619 /nfs/dbraw/zinc/20/56/19/395205619.db2.gz VCUKLFZQDRNFLL-CRAIPNDOSA-N 2 1 298.434 2.348 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@]1(C)C[NH3+] ZINC000394445511 395205622 /nfs/dbraw/zinc/20/56/22/395205622.db2.gz VCUKLFZQDRNFLL-CRAIPNDOSA-N 2 1 298.434 2.348 20 0 CEADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CC[C@H]1CCOC1 ZINC000438181643 395209521 /nfs/dbraw/zinc/20/95/21/395209521.db2.gz VGVCOVODYMNNDY-GJZGRUSLSA-N 2 1 254.418 2.267 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]CC[C@H]1CCOC1 ZINC000438181643 395209525 /nfs/dbraw/zinc/20/95/25/395209525.db2.gz VGVCOVODYMNNDY-GJZGRUSLSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000397321234 395222672 /nfs/dbraw/zinc/22/26/72/395222672.db2.gz BFHOTGSRNZFTCG-WWGRRREGSA-N 2 1 274.408 2.427 20 0 CEADMP Cc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)sn1 ZINC000404489776 395283724 /nfs/dbraw/zinc/28/37/24/395283724.db2.gz QKSHTWGVAHLUGU-NSHDSACASA-N 2 1 253.415 2.273 20 0 CEADMP [NH3+]CCC[N@@H+](CC[C@@H]1CCCO1)CC1CCCC1 ZINC000420324088 395326027 /nfs/dbraw/zinc/32/60/27/395326027.db2.gz YYAXSDLPMXMBQB-HNNXBMFYSA-N 2 1 254.418 2.397 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCO2)[C@H]2CCC[C@@H]21 ZINC000353391262 395296588 /nfs/dbraw/zinc/29/65/88/395296588.db2.gz BRLQRJDPMSSVKH-XGUBFFRZSA-N 2 1 252.402 2.018 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CNc1nc(C)[nH+]c(C)c1C ZINC000420289455 395296735 /nfs/dbraw/zinc/29/67/35/395296735.db2.gz ZHXWFUOXURZEFK-MRXNPFEDSA-N 2 1 284.407 2.498 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434424757 395298229 /nfs/dbraw/zinc/29/82/29/395298229.db2.gz KLVMWMBTTSFOFN-HIFRSBDPSA-N 2 1 295.471 2.286 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353528583 395299832 /nfs/dbraw/zinc/29/98/32/395299832.db2.gz NRUCLKQVQXCZNL-UYJHQMFVSA-N 2 1 268.445 2.246 20 0 CEADMP CCOC[C@H]1CC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420294542 395301167 /nfs/dbraw/zinc/30/11/67/395301167.db2.gz BAPFXWKGAOODPB-GOEBONIOSA-N 2 1 292.423 2.096 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000420294387 395301216 /nfs/dbraw/zinc/30/12/16/395301216.db2.gz SPAIXXUOXPXLQL-GOEBONIOSA-N 2 1 297.487 2.471 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000420294387 395301218 /nfs/dbraw/zinc/30/12/18/395301218.db2.gz SPAIXXUOXPXLQL-GOEBONIOSA-N 2 1 297.487 2.471 20 0 CEADMP c1ccc(C[N@@H+](CCN2CC[NH2+]CC2)CC2CCC2)cc1 ZINC000420296413 395302254 /nfs/dbraw/zinc/30/22/54/395302254.db2.gz BWMZUZRLVPXQKB-UHFFFAOYSA-N 2 1 287.451 2.194 20 0 CEADMP COC(=O)[C@@H](c1ccsc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420298972 395303961 /nfs/dbraw/zinc/30/39/61/395303961.db2.gz AOGVMWJDXQQPSY-CYBMUJFWSA-N 2 1 294.420 2.038 20 0 CEADMP COC(=O)[C@@H](c1ccsc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420298972 395303966 /nfs/dbraw/zinc/30/39/66/395303966.db2.gz AOGVMWJDXQQPSY-CYBMUJFWSA-N 2 1 294.420 2.038 20 0 CEADMP CC(C)[C@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420302987 395307105 /nfs/dbraw/zinc/30/71/05/395307105.db2.gz KEITYGVUMIGDPP-BBWFWOEESA-N 2 1 276.424 2.038 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420302592 395307950 /nfs/dbraw/zinc/30/79/50/395307950.db2.gz WKYQRSMMDVJNRK-JTQLQIEISA-N 2 1 272.751 2.139 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CSC[C@@H]2C)cn1 ZINC000296241933 395312843 /nfs/dbraw/zinc/31/28/43/395312843.db2.gz CRDVGEAGWRHFQN-SMDDNHRTSA-N 2 1 288.420 2.417 20 0 CEADMP CC(C)CO[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420313330 395316683 /nfs/dbraw/zinc/31/66/83/395316683.db2.gz XYTZCJCTPVWXQH-CABCVRRESA-N 2 1 254.418 2.123 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000420324527 395327523 /nfs/dbraw/zinc/32/75/23/395327523.db2.gz ZUNBASOSRHCIIB-CVEARBPZSA-N 2 1 274.408 2.312 20 0 CEADMP C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420315384 395320183 /nfs/dbraw/zinc/32/01/83/395320183.db2.gz LTDKUUGMNVBQIU-OTRWWLKZSA-N 2 1 276.424 2.180 20 0 CEADMP CCc1ccccc1NC(=O)C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420318730 395321627 /nfs/dbraw/zinc/32/16/27/395321627.db2.gz OQNYTBDOUIIISO-AWEZNQCLSA-N 2 1 289.423 2.119 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)NCC1CCCCC1 ZINC000420367537 395353741 /nfs/dbraw/zinc/35/37/41/395353741.db2.gz STZUKFYWKFGQME-CQSZACIVSA-N 2 1 283.460 2.036 20 0 CEADMP CCC[C@@H](CC)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442868457 395397618 /nfs/dbraw/zinc/39/76/18/395397618.db2.gz CGJUMSPHHJXAIE-CQSZACIVSA-N 2 1 255.450 2.181 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCSC(C)(C)C2)CC1 ZINC000191541354 395361348 /nfs/dbraw/zinc/36/13/48/395361348.db2.gz HXHSGVHQPSNUQS-UHFFFAOYSA-N 2 1 299.528 2.230 20 0 CEADMP COCC[C@@H]1CCCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420376673 395361798 /nfs/dbraw/zinc/36/17/98/395361798.db2.gz QYIJAUAHPQUMJW-CABCVRRESA-N 2 1 254.418 2.125 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420376142 395361969 /nfs/dbraw/zinc/36/19/69/395361969.db2.gz AGZXQVCNICWZPI-HUUCEWRRSA-N 2 1 282.428 2.184 20 0 CEADMP C(C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)C1CC[NH2+]CC1 ZINC000420379313 395364038 /nfs/dbraw/zinc/36/40/38/395364038.db2.gz VDAACBJGYXYIIT-CQSZACIVSA-N 2 1 290.411 2.126 20 0 CEADMP c1cc(CCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccn1 ZINC000420398552 395371146 /nfs/dbraw/zinc/37/11/46/395371146.db2.gz NGJULMUWUNVOOY-DLBZAZTESA-N 2 1 273.424 2.478 20 0 CEADMP CCCN(CCC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420413061 395373886 /nfs/dbraw/zinc/37/38/86/395373886.db2.gz ZMHNJRBPPHKMLW-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420413061 395373890 /nfs/dbraw/zinc/37/38/90/395373890.db2.gz ZMHNJRBPPHKMLW-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP FC(F)(F)COCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420408870 395374369 /nfs/dbraw/zinc/37/43/69/395374369.db2.gz WJHFZNUTLRAXQH-VXGBXAGGSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)COCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420408870 395374374 /nfs/dbraw/zinc/37/43/74/395374374.db2.gz WJHFZNUTLRAXQH-VXGBXAGGSA-N 2 1 280.334 2.029 20 0 CEADMP Cc1[nH]nc2ncc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc12 ZINC000355233080 395376729 /nfs/dbraw/zinc/37/67/29/395376729.db2.gz DKLPGIXPGXYBTA-HOCLYGCPSA-N 2 1 299.422 2.182 20 0 CEADMP Cc1c[nH+]cn1CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000529458838 395376917 /nfs/dbraw/zinc/37/69/17/395376917.db2.gz WJDMHOSRKCCPJT-MRXNPFEDSA-N 2 1 298.390 2.379 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(C(=O)OC)CC2)C1 ZINC000192440013 395382928 /nfs/dbraw/zinc/38/29/28/395382928.db2.gz OTBJUORHKXWWSP-WLYUNCDWSA-N 2 1 282.428 2.040 20 0 CEADMP CCC[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435735244 395384732 /nfs/dbraw/zinc/38/47/32/395384732.db2.gz LAPZQILNNWEDDY-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP CCC[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435735244 395384734 /nfs/dbraw/zinc/38/47/34/395384734.db2.gz LAPZQILNNWEDDY-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP C[NH2+]CCC[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000435883948 395394097 /nfs/dbraw/zinc/39/40/97/395394097.db2.gz NMBYAUOVAFNYPF-KRWDZBQOSA-N 2 1 276.424 2.320 20 0 CEADMP FC(F)(F)CCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420324417 395327986 /nfs/dbraw/zinc/32/79/86/395327986.db2.gz ZRAQIBNMHLFINJ-QWRGUYRKSA-N 2 1 250.308 2.260 20 0 CEADMP c1ccc([C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420326749 395329084 /nfs/dbraw/zinc/32/90/84/395329084.db2.gz XOBAACPCMGQUHE-NVXWUHKLSA-N 2 1 274.408 2.450 20 0 CEADMP CC(C)c1noc([C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000420340459 395336027 /nfs/dbraw/zinc/33/60/27/395336027.db2.gz PIVMNLMWCOFPNU-RWMBFGLXSA-N 2 1 278.400 2.185 20 0 CEADMP CC[N@H+](CCc1nccs1)CCC1CC[NH2+]CC1 ZINC000420363485 395349578 /nfs/dbraw/zinc/34/95/78/395349578.db2.gz PGFTVXBJMNVLTA-UHFFFAOYSA-N 2 1 267.442 2.397 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000420363953 395350062 /nfs/dbraw/zinc/35/00/62/395350062.db2.gz QEGQMPOWYXORPP-SNVBAGLBSA-N 2 1 290.333 2.217 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000420363953 395350066 /nfs/dbraw/zinc/35/00/66/395350066.db2.gz QEGQMPOWYXORPP-SNVBAGLBSA-N 2 1 290.333 2.217 20 0 CEADMP C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)CC1CC[NH+](C)CC1 ZINC000435132003 395351300 /nfs/dbraw/zinc/35/13/00/395351300.db2.gz UPWTUJSEPUDGPI-UHFFFAOYSA-N 2 1 288.395 2.443 20 0 CEADMP COC[C@H](Cc1ccccc1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420364416 395352077 /nfs/dbraw/zinc/35/20/77/395352077.db2.gz CVOWDVZGDFFPBP-SJORKVTESA-N 2 1 276.424 2.176 20 0 CEADMP Cc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccn1 ZINC000529569674 395408726 /nfs/dbraw/zinc/40/87/26/395408726.db2.gz QANLJJHKMPOMIQ-CVEARBPZSA-N 2 1 259.397 2.306 20 0 CEADMP CC[NH+](CC)CCCCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444037342 395413085 /nfs/dbraw/zinc/41/30/85/395413085.db2.gz MUYNFDZWZIIIAY-OWCLPIDISA-N 2 1 297.487 2.486 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000420919898 395435093 /nfs/dbraw/zinc/43/50/93/395435093.db2.gz IULKOVZRMDHNSM-BGTYHANMSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000420919898 395435095 /nfs/dbraw/zinc/43/50/95/395435095.db2.gz IULKOVZRMDHNSM-BGTYHANMSA-N 2 1 288.435 2.258 20 0 CEADMP CCC1(O)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000444594498 395437992 /nfs/dbraw/zinc/43/79/92/395437992.db2.gz ILVQYXXLGVDSMC-UHFFFAOYSA-N 2 1 254.418 2.099 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCN3CCC3)CC23CC3)cc1 ZINC000566216282 395505858 /nfs/dbraw/zinc/50/58/58/395505858.db2.gz YWXCXGRUMDXISR-GOSISDBHSA-N 2 1 299.462 2.479 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCN3CCC3)CC23CC3)cc1 ZINC000566216282 395505861 /nfs/dbraw/zinc/50/58/61/395505861.db2.gz YWXCXGRUMDXISR-GOSISDBHSA-N 2 1 299.462 2.479 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000448551773 395514156 /nfs/dbraw/zinc/51/41/56/395514156.db2.gz OVLFZBMQEBKGLE-FQEVSTJZSA-N 2 1 297.468 2.205 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000566352088 395514844 /nfs/dbraw/zinc/51/48/44/395514844.db2.gz VJDXJZYROXUOAW-ZDUSSCGKSA-N 2 1 290.329 2.108 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000566352088 395514846 /nfs/dbraw/zinc/51/48/46/395514846.db2.gz VJDXJZYROXUOAW-ZDUSSCGKSA-N 2 1 290.329 2.108 20 0 CEADMP COc1ccc2c(c1)CCC[N@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000567872357 395538570 /nfs/dbraw/zinc/53/85/70/395538570.db2.gz WGOUYSIMVZRZTO-QGZVFWFLSA-N 2 1 274.408 2.443 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCCC1 ZINC000565533827 395475209 /nfs/dbraw/zinc/47/52/09/395475209.db2.gz KCCPXLUSAOSTMS-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP COC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCCC1 ZINC000446820761 395499494 /nfs/dbraw/zinc/49/94/94/395499494.db2.gz HKIHDFLOOOJPKG-IAGOWNOFSA-N 2 1 298.471 2.018 20 0 CEADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ncccn2)CC1 ZINC000572956450 395595700 /nfs/dbraw/zinc/59/57/00/395595700.db2.gz BSLZMPHCQZLWLM-UHFFFAOYSA-N 2 1 262.401 2.029 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ncccn2)CC1 ZINC000572956450 395595703 /nfs/dbraw/zinc/59/57/03/395595703.db2.gz BSLZMPHCQZLWLM-UHFFFAOYSA-N 2 1 262.401 2.029 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451419853 395615997 /nfs/dbraw/zinc/61/59/97/395615997.db2.gz LZYWKLDANHWSSI-OAGGEKHMSA-N 2 1 268.445 2.344 20 0 CEADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449415131 395547573 /nfs/dbraw/zinc/54/75/73/395547573.db2.gz NHQNGPCUAAQMRT-QXSJWSMHSA-N 2 1 294.439 2.325 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1)C(C)C ZINC000449597951 395556791 /nfs/dbraw/zinc/55/67/91/395556791.db2.gz AILCXSLILLNDKN-KGLIPLIRSA-N 2 1 291.439 2.382 20 0 CEADMP CC[C@H]([NH3+])CNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000449608682 395557195 /nfs/dbraw/zinc/55/71/95/395557195.db2.gz JLZNAXIZEJOUQB-HNNXBMFYSA-N 2 1 289.423 2.138 20 0 CEADMP CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C ZINC000451440697 395618360 /nfs/dbraw/zinc/61/83/60/395618360.db2.gz QGDQYKGMWORFQH-KBPBESRZSA-N 2 1 256.434 2.246 20 0 CEADMP CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C ZINC000451440697 395618362 /nfs/dbraw/zinc/61/83/62/395618362.db2.gz QGDQYKGMWORFQH-KBPBESRZSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)CC2CCCC2)CCCO1 ZINC000569214954 395575000 /nfs/dbraw/zinc/57/50/00/395575000.db2.gz ZSOGNIJGZYEIIB-RDJZCZTQSA-N 2 1 298.471 2.018 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000451479349 395621348 /nfs/dbraw/zinc/62/13/48/395621348.db2.gz MQDHLGRDYHCYSL-TUVASFSCSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1nc([C@H](C)[NH2+]CCCCN2CC[NH+](C)CC2)cs1 ZINC000573976419 395623523 /nfs/dbraw/zinc/62/35/23/395623523.db2.gz CVLRNCCJOLHOFH-ZDUSSCGKSA-N 2 1 296.484 2.130 20 0 CEADMP CC(C)CC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000574070889 395626012 /nfs/dbraw/zinc/62/60/12/395626012.db2.gz ANWFTQBLMQPWDL-CVEARBPZSA-N 2 1 270.461 2.351 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc2cnccc2c1 ZINC000647508670 395723768 /nfs/dbraw/zinc/72/37/68/395723768.db2.gz XLXZQHSEJXQYTG-GXTWGEPZSA-N 2 1 255.365 2.404 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC1 ZINC000647339640 395705796 /nfs/dbraw/zinc/70/57/96/395705796.db2.gz XNXHXHOAPCEMCS-IAGOWNOFSA-N 2 1 289.423 2.376 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)CC[N@@H+]1C ZINC000647343020 395706617 /nfs/dbraw/zinc/70/66/17/395706617.db2.gz AIGJBDPJCDLSGJ-XDQVBPFNSA-N 2 1 254.418 2.405 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)CC[N@H+]1C ZINC000647343020 395706618 /nfs/dbraw/zinc/70/66/18/395706618.db2.gz AIGJBDPJCDLSGJ-XDQVBPFNSA-N 2 1 254.418 2.405 20 0 CEADMP Cc1cccc2nc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cn21 ZINC000647364695 395709503 /nfs/dbraw/zinc/70/95/03/395709503.db2.gz JGIBFVXDTMXXIB-LSDHHAIUSA-N 2 1 286.423 2.258 20 0 CEADMP c1cc2c(c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c1)OCO2 ZINC000647480941 395720081 /nfs/dbraw/zinc/72/00/81/395720081.db2.gz DYQNUZDMCGHPEV-UKRRQHHQSA-N 2 1 288.391 2.379 20 0 CEADMP c1cc2c(c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c1)OCO2 ZINC000647480941 395720083 /nfs/dbraw/zinc/72/00/83/395720083.db2.gz DYQNUZDMCGHPEV-UKRRQHHQSA-N 2 1 288.391 2.379 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccc(N(C)CC)nc2)CC[C@H]1[NH3+] ZINC000647497333 395721601 /nfs/dbraw/zinc/72/16/01/395721601.db2.gz CVXDPUFVXKEWIN-HUUCEWRRSA-N 2 1 276.428 2.097 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(N(C)CC)nc2)CC[C@H]1[NH3+] ZINC000647497333 395721602 /nfs/dbraw/zinc/72/16/02/395721602.db2.gz CVXDPUFVXKEWIN-HUUCEWRRSA-N 2 1 276.428 2.097 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3cnccc3c2)CC[C@H]1[NH3+] ZINC000647496341 395721620 /nfs/dbraw/zinc/72/16/20/395721620.db2.gz VIXFLVPDCHPLEA-BLLLJJGKSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3cnccc32)CC[C@H]1[NH3+] ZINC000647496282 395721699 /nfs/dbraw/zinc/72/16/99/395721699.db2.gz CTTZXTCELUBSOL-BLLLJJGKSA-N 2 1 255.365 2.404 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccccc2N(C)C)CC[C@H]1[NH3+] ZINC000647498171 395722326 /nfs/dbraw/zinc/72/23/26/395722326.db2.gz CAKYJWHKCYTJDG-DZGCQCFKSA-N 2 1 261.413 2.312 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC[NH2+]C1 ZINC000647538404 395729699 /nfs/dbraw/zinc/72/96/99/395729699.db2.gz QEXJCAKZZHQBPI-HZPDHXFCSA-N 2 1 278.371 2.278 20 0 CEADMP c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647544177 395731262 /nfs/dbraw/zinc/73/12/62/395731262.db2.gz XUNMSGUMWSWONZ-CABCVRRESA-N 2 1 259.397 2.293 20 0 CEADMP CC(C)C[C@H](N)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544537 395731616 /nfs/dbraw/zinc/73/16/16/395731616.db2.gz PTZLYLGGBSLGTG-JYJNAYRXSA-N 2 1 267.461 2.071 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544537 395731618 /nfs/dbraw/zinc/73/16/18/395731618.db2.gz PTZLYLGGBSLGTG-JYJNAYRXSA-N 2 1 267.461 2.071 20 0 CEADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647551813 395734015 /nfs/dbraw/zinc/73/40/15/395734015.db2.gz NRWXGBPGIUMABF-SQWLQELKSA-N 2 1 261.413 2.380 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@@H]3CC[C@@H](C[NH3+])C3)c2c1C ZINC000647709863 395747478 /nfs/dbraw/zinc/74/74/78/395747478.db2.gz WJTTXHPQKQVFMQ-GHMZBOCLSA-N 2 1 259.357 2.114 20 0 CEADMP c1n[nH]c2cc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc12 ZINC000647796492 395756496 /nfs/dbraw/zinc/75/64/96/395756496.db2.gz AZTNIYXSSOCYAR-CWRNSKLLSA-N 2 1 284.407 2.083 20 0 CEADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000647936719 395779340 /nfs/dbraw/zinc/77/93/40/395779340.db2.gz KHDWPOXNKBRUPN-WFASDCNBSA-N 2 1 293.386 2.214 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC(CC)(CC)C[NH3+] ZINC000647806890 395758976 /nfs/dbraw/zinc/75/89/76/395758976.db2.gz LLMOCQHTWPEPDF-LBPRGKRZSA-N 2 1 280.416 2.030 20 0 CEADMP c1cc(CCC[N@@H+](C2CC2)C2CC[NH2+]CC2)ccn1 ZINC000647815003 395759800 /nfs/dbraw/zinc/75/98/00/395759800.db2.gz KRJQMXFOOGEMBM-UHFFFAOYSA-N 2 1 259.397 2.231 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC([NH3+])(CC)CC ZINC000647848416 395763466 /nfs/dbraw/zinc/76/34/66/395763466.db2.gz QMNFQKHDWWKAPV-LBPRGKRZSA-N 2 1 280.416 2.030 20 0 CEADMP COc1cccc(C[C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647881153 395768171 /nfs/dbraw/zinc/76/81/71/395768171.db2.gz HZCQOXGIKDUWEP-HZPDHXFCSA-N 2 1 274.408 2.312 20 0 CEADMP COc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647883321 395768515 /nfs/dbraw/zinc/76/85/15/395768515.db2.gz DGOPENSUPZIRCY-UKRRQHHQSA-N 2 1 260.381 2.094 20 0 CEADMP CC1(C)C[N@@H+](CCC2CC[NH2+]CC2)C(C)(C)CO1 ZINC000647885939 395769167 /nfs/dbraw/zinc/76/91/67/395769167.db2.gz PKNIWPOQVBBSCQ-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)no1 ZINC000647975464 395793617 /nfs/dbraw/zinc/79/36/17/395793617.db2.gz ARJZXYVRHSHCNS-UONOGXRCSA-N 2 1 263.385 2.195 20 0 CEADMP c1cc2c(s1)CCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000648406163 395902815 /nfs/dbraw/zinc/90/28/15/395902815.db2.gz RLGJCJKSZVOEGJ-UHFFFAOYSA-N 2 1 250.411 2.496 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)CCO1 ZINC000648468829 395914254 /nfs/dbraw/zinc/91/42/54/395914254.db2.gz ODMSWFZEKYJHDG-SJORKVTESA-N 2 1 298.471 2.423 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649413937 396148113 /nfs/dbraw/zinc/14/81/13/396148113.db2.gz UOEJSYQOCULYBT-QGZVFWFLSA-N 3 1 281.488 2.430 20 0 CEADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCCOC1 ZINC000649756698 396251057 /nfs/dbraw/zinc/25/10/57/396251057.db2.gz YQJXGGBECDVULD-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCCOC1 ZINC000649756698 396251059 /nfs/dbraw/zinc/25/10/59/396251059.db2.gz YQJXGGBECDVULD-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP COCc1ccccc1/C=C(\C)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000646105548 396294126 /nfs/dbraw/zinc/29/41/26/396294126.db2.gz YWJWQWUPBAGCDX-MAMYYWIDSA-N 2 1 286.419 2.388 20 0 CEADMP COCc1ccccc1/C=C(\C)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000646105548 396294131 /nfs/dbraw/zinc/29/41/31/396294131.db2.gz YWJWQWUPBAGCDX-MAMYYWIDSA-N 2 1 286.419 2.388 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CO1 ZINC000647170226 396427866 /nfs/dbraw/zinc/42/78/66/396427866.db2.gz QENYUTCRZUBUTJ-YOEHRIQHSA-N 2 1 274.408 2.202 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CO1 ZINC000647170226 396427871 /nfs/dbraw/zinc/42/78/71/396427871.db2.gz QENYUTCRZUBUTJ-YOEHRIQHSA-N 2 1 274.408 2.202 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)[C@H](C)O1 ZINC000647249311 396449685 /nfs/dbraw/zinc/44/96/85/396449685.db2.gz QYYNWCKEGZUPTL-QKGUJMCYSA-N 2 1 288.435 2.487 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CO1 ZINC000647249099 396450086 /nfs/dbraw/zinc/45/00/86/396450086.db2.gz BEABGZLARYIBKA-SIXLDLHFSA-N 2 1 274.408 2.099 20 0 CEADMP c1nc([C@@H]2CCC[N@H+]([C@@H]3CCOC3)C2)n2c1CCCC2 ZINC000334240653 400346439 /nfs/dbraw/zinc/34/64/39/400346439.db2.gz MIALLJQQSDQRBL-UKRRQHHQSA-N 2 1 275.396 2.188 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC000345945065 400369796 /nfs/dbraw/zinc/36/97/96/400369796.db2.gz GGHBWLUOMWQIAW-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2CCCOC2)cc1 ZINC000399637063 400565231 /nfs/dbraw/zinc/56/52/31/400565231.db2.gz XNPAUUDZLQIHJB-SOABOVLPSA-N 2 1 286.419 2.276 20 0 CEADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2CCCOC2)cc1 ZINC000399637063 400565235 /nfs/dbraw/zinc/56/52/35/400565235.db2.gz XNPAUUDZLQIHJB-SOABOVLPSA-N 2 1 286.419 2.276 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000650023936 400780104 /nfs/dbraw/zinc/78/01/04/400780104.db2.gz XYHAPICZJXCBPU-ZACQAIPSSA-N 2 1 280.456 2.248 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650706225 400998857 /nfs/dbraw/zinc/99/88/57/400998857.db2.gz GROWDQMSHBOFIB-BFHYXJOUSA-N 2 1 295.452 2.170 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])nc1 ZINC000650711422 401001184 /nfs/dbraw/zinc/00/11/84/401001184.db2.gz TZDASSOAMLALAI-BBRMVZONSA-N 2 1 277.412 2.430 20 0 CEADMP [NH3+]Cc1ccc(C[NH2+]Cc2cccc3c2OCO3)c(F)c1 ZINC000650718536 401007835 /nfs/dbraw/zinc/00/78/35/401007835.db2.gz QMGMHSMZRPNIGK-UHFFFAOYSA-N 2 1 288.322 2.303 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000650721367 401012315 /nfs/dbraw/zinc/01/23/15/401012315.db2.gz BOTQGDVKASWDNR-UHFFFAOYSA-N 2 1 299.422 2.137 20 0 CEADMP CCn1cc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cn1 ZINC000650752896 401030129 /nfs/dbraw/zinc/03/01/29/401030129.db2.gz CKVYMXOBCVSDDJ-NSHDSACASA-N 2 1 276.359 2.352 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650754303 401030872 /nfs/dbraw/zinc/03/08/72/401030872.db2.gz GDBXBTDMRQXBAY-VIFPVBQESA-N 2 1 262.332 2.167 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000650756748 401032745 /nfs/dbraw/zinc/03/27/45/401032745.db2.gz JDTCJHSIWDFGOB-INIZCTEOSA-N 2 1 284.407 2.380 20 0 CEADMP C[C@H](C[NH2+]Cc1cnnn1-c1ccccc1)C[NH+]1CCCC1 ZINC000651681875 401370958 /nfs/dbraw/zinc/37/09/58/401370958.db2.gz BZPIRAOZOWFVIG-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP CCc1nn(C)cc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651865670 401406155 /nfs/dbraw/zinc/40/61/55/401406155.db2.gz CZJZLXRFDLZOCP-UHFFFAOYSA-N 2 1 266.433 2.050 20 0 CEADMP CCc1nn(C)cc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651865670 401406157 /nfs/dbraw/zinc/40/61/57/401406157.db2.gz CZJZLXRFDLZOCP-UHFFFAOYSA-N 2 1 266.433 2.050 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1 ZINC000651938931 401418973 /nfs/dbraw/zinc/41/89/73/401418973.db2.gz NUHXFHYEWAQELW-DFBGVHRSSA-N 2 1 298.390 2.095 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CCF)CC[N@@H+]1Cc1ccccc1 ZINC000652019851 401435084 /nfs/dbraw/zinc/43/50/84/401435084.db2.gz DJAIIQABGGYODA-OIISXLGYSA-N 2 1 294.414 2.350 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CCF)CC[N@H+]1Cc1ccccc1 ZINC000652019851 401435089 /nfs/dbraw/zinc/43/50/89/401435089.db2.gz DJAIIQABGGYODA-OIISXLGYSA-N 2 1 294.414 2.350 20 0 CEADMP Cc1nccn1CCC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355705 401493040 /nfs/dbraw/zinc/49/30/40/401493040.db2.gz DWKSLYTVDBMQNI-DZGCQCFKSA-N 2 1 264.417 2.031 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355705 401493041 /nfs/dbraw/zinc/49/30/41/401493041.db2.gz DWKSLYTVDBMQNI-DZGCQCFKSA-N 3 1 264.417 2.031 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355705 401493043 /nfs/dbraw/zinc/49/30/43/401493043.db2.gz DWKSLYTVDBMQNI-DZGCQCFKSA-N 3 1 264.417 2.031 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(OC)c1 ZINC000360244077 155252118 /nfs/dbraw/zinc/25/21/18/155252118.db2.gz ZFDCCBVZNQSUAY-WBVHZDCISA-N 2 1 292.423 2.193 20 0 CEADMP C[N@H+]1C[C@@H]2CN(Cc3cc[nH]n3)C[C@@H]2[C@H]1c1ccccc1 ZINC000360792219 155372373 /nfs/dbraw/zinc/37/23/73/155372373.db2.gz UIMRPXHKNKFPJR-HYVNUMGLSA-N 2 1 282.391 2.144 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@](C)(O)C2CCCCC2)CC[N@H+]1C ZINC000188660868 153067704 /nfs/dbraw/zinc/06/77/04/153067704.db2.gz CVLZMOKNKWBASZ-BPUTZDHNSA-N 2 1 268.445 2.390 20 0 CEADMP O[C@@H](C[NH+]1CCC([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000191343495 153166906 /nfs/dbraw/zinc/16/69/06/153166906.db2.gz PJQGCTIILODAFI-KRWDZBQOSA-N 2 1 280.456 2.488 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000192601724 153209778 /nfs/dbraw/zinc/20/97/78/153209778.db2.gz PJJFJOCRVWMWNF-BMFZPTHFSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000192601724 153209782 /nfs/dbraw/zinc/20/97/82/153209782.db2.gz PJJFJOCRVWMWNF-BMFZPTHFSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)OCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000228814902 153367923 /nfs/dbraw/zinc/36/79/23/153367923.db2.gz IDTRKNSRWIUOGU-LSDHHAIUSA-N 2 1 254.418 2.408 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000261564686 153760032 /nfs/dbraw/zinc/76/00/32/153760032.db2.gz HIUUQQSFFHIISI-ZDUSSCGKSA-N 2 1 254.324 2.443 20 0 CEADMP Cc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)cc[nH+]1 ZINC000302550552 154185804 /nfs/dbraw/zinc/18/58/04/154185804.db2.gz IBNXGEIYKFSUEA-OAHLLOKOSA-N 2 1 293.436 2.010 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccn(C(F)F)n1 ZINC000346672289 154293367 /nfs/dbraw/zinc/29/33/67/154293367.db2.gz NHHPTHNTRONFRE-SNVBAGLBSA-N 2 1 283.326 2.209 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000347084587 154299983 /nfs/dbraw/zinc/29/99/83/154299983.db2.gz ARCVVXSEDMUHFU-GFCCVEGCSA-N 2 1 288.370 2.257 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000347084587 154299986 /nfs/dbraw/zinc/29/99/86/154299986.db2.gz ARCVVXSEDMUHFU-GFCCVEGCSA-N 2 1 288.370 2.257 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@]2(C)CCCC[C@@H]2O)s1 ZINC000352753574 154333290 /nfs/dbraw/zinc/33/32/90/154333290.db2.gz FLEARNYUUDKSHC-ZFWWWQNUSA-N 2 1 297.468 2.236 20 0 CEADMP C[NH+]1CCC(CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000352789872 154341587 /nfs/dbraw/zinc/34/15/87/154341587.db2.gz GGGIXAASMSLVSE-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP COCCCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365548997 292317209 /nfs/dbraw/zinc/31/72/09/292317209.db2.gz QQBZJFFLCLXGTB-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP COCCCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365548997 292317211 /nfs/dbraw/zinc/31/72/11/292317211.db2.gz QQBZJFFLCLXGTB-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP COCCCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365548997 292317214 /nfs/dbraw/zinc/31/72/14/292317214.db2.gz QQBZJFFLCLXGTB-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N[C@H](C)C(C)(C)C[NH+](C)C ZINC000359507036 155032336 /nfs/dbraw/zinc/03/23/36/155032336.db2.gz WVNGIXUULQCXLU-GFCCVEGCSA-N 2 1 293.411 2.068 20 0 CEADMP CC(C)OCCC[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363475510 156025764 /nfs/dbraw/zinc/02/57/64/156025764.db2.gz PCGAXUOSHVEKRU-UHFFFAOYSA-N 2 1 298.471 2.377 20 0 CEADMP CCOC1CC(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000367159123 156143091 /nfs/dbraw/zinc/14/30/91/156143091.db2.gz VKUAKJLNLDDWAG-GYTBAZASSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000367159123 156143094 /nfs/dbraw/zinc/14/30/94/156143094.db2.gz VKUAKJLNLDDWAG-GYTBAZASSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000367159123 156143097 /nfs/dbraw/zinc/14/30/97/156143097.db2.gz VKUAKJLNLDDWAG-GYTBAZASSA-N 2 1 266.429 2.218 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367599572 156213250 /nfs/dbraw/zinc/21/32/50/156213250.db2.gz WLWBFTIHVPSWLG-TVFCKZIOSA-N 2 1 288.435 2.491 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)no1 ZINC000368125185 156294276 /nfs/dbraw/zinc/29/42/76/156294276.db2.gz KSONPIMIKLHVRV-RYUDHWBXSA-N 2 1 260.341 2.093 20 0 CEADMP Cc1ccc([C@@H](O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000368313383 156320070 /nfs/dbraw/zinc/32/00/70/156320070.db2.gz CEOXXFUHTUNXBQ-DLBZAZTESA-N 2 1 274.408 2.056 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000368313383 156320072 /nfs/dbraw/zinc/32/00/72/156320072.db2.gz CEOXXFUHTUNXBQ-DLBZAZTESA-N 2 1 274.408 2.056 20 0 CEADMP Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000368313383 156320074 /nfs/dbraw/zinc/32/00/74/156320074.db2.gz CEOXXFUHTUNXBQ-DLBZAZTESA-N 2 1 274.408 2.056 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCCCF)CC1 ZINC000368504841 156357061 /nfs/dbraw/zinc/35/70/61/156357061.db2.gz SIQFFBCYSRVZMN-MRXNPFEDSA-N 2 1 285.451 2.228 20 0 CEADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCCCF)CC1 ZINC000368504840 156359984 /nfs/dbraw/zinc/35/99/84/156359984.db2.gz SIQFFBCYSRVZMN-INIZCTEOSA-N 2 1 285.451 2.228 20 0 CEADMP C[N@H+]1CC[C@H]2CCN(Cc3ccc(-n4ccnc4)cc3)C[C@H]21 ZINC000375027709 157043538 /nfs/dbraw/zinc/04/35/38/157043538.db2.gz ANPJTDJOFNGQEU-FUHWJXTLSA-N 2 1 296.418 2.398 20 0 CEADMP CN1CC[C@H]2CC[N@H+](Cc3ccc(-n4ccnc4)cc3)C[C@H]21 ZINC000375027709 157043539 /nfs/dbraw/zinc/04/35/39/157043539.db2.gz ANPJTDJOFNGQEU-FUHWJXTLSA-N 2 1 296.418 2.398 20 0 CEADMP CC(C)OC1CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000375088156 157050533 /nfs/dbraw/zinc/05/05/33/157050533.db2.gz PZKLLYKBZCFTLF-LQULJDIASA-N 2 1 252.402 2.159 20 0 CEADMP CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CCCCn4cc[nH+]c4C)[C@H]1[C@H]3C2 ZINC000375743129 157135373 /nfs/dbraw/zinc/13/53/73/157135373.db2.gz NLBRTXLHCCIWEY-QUSNUVHPSA-N 2 1 289.423 2.327 20 0 CEADMP CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCCCn4cc[nH+]c4C)[C@H]1[C@H]3C2 ZINC000375743129 157135374 /nfs/dbraw/zinc/13/53/74/157135374.db2.gz NLBRTXLHCCIWEY-QUSNUVHPSA-N 2 1 289.423 2.327 20 0 CEADMP CC1CC[NH+](CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000375765452 157140147 /nfs/dbraw/zinc/14/01/47/157140147.db2.gz VYZVIMLFNACSMR-SJPCQFCGSA-N 2 1 279.472 2.275 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cscn1 ZINC000535063602 298182611 /nfs/dbraw/zinc/18/26/11/298182611.db2.gz BPSOTWWCXDPTSN-STQMWFEESA-N 2 1 283.441 2.031 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1csc(Br)c1 ZINC000163316142 162330217 /nfs/dbraw/zinc/33/02/17/162330217.db2.gz QYAKBOXLATVKRK-UHFFFAOYSA-N 2 1 263.204 2.210 20 0 CEADMP CCN(C(=O)[C@H](C)[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000165946397 162347737 /nfs/dbraw/zinc/34/77/37/162347737.db2.gz WEQPAGPCIQENBD-OFQRWUPVSA-N 2 1 289.423 2.018 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH2+]C3)c2C1 ZINC000166719001 162351894 /nfs/dbraw/zinc/35/18/94/162351894.db2.gz BEYMBDZHKCGVHJ-ZDUSSCGKSA-N 2 1 287.407 2.350 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH2+]C3)c2C1 ZINC000166719001 162351897 /nfs/dbraw/zinc/35/18/97/162351897.db2.gz BEYMBDZHKCGVHJ-ZDUSSCGKSA-N 2 1 287.407 2.350 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000168641070 162370443 /nfs/dbraw/zinc/37/04/43/162370443.db2.gz QILNTDJMVLTCKG-CABCVRRESA-N 2 1 289.423 2.097 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000168641070 162370448 /nfs/dbraw/zinc/37/04/48/162370448.db2.gz QILNTDJMVLTCKG-CABCVRRESA-N 2 1 289.423 2.097 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248405899 162502440 /nfs/dbraw/zinc/50/24/40/162502440.db2.gz BIODGFUALKTRFA-BSDSXHPESA-N 2 1 288.435 2.258 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000175453842 165137149 /nfs/dbraw/zinc/13/71/49/165137149.db2.gz RBLAUPPVTWZGCT-QLFBSQMISA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)CCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000175453842 165137151 /nfs/dbraw/zinc/13/71/51/165137151.db2.gz RBLAUPPVTWZGCT-QLFBSQMISA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)CCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000175453842 165137153 /nfs/dbraw/zinc/13/71/53/165137153.db2.gz RBLAUPPVTWZGCT-QLFBSQMISA-N 2 1 283.460 2.096 20 0 CEADMP Fc1ccc([C@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)cc1F ZINC000178971743 165263284 /nfs/dbraw/zinc/26/32/84/165263284.db2.gz CRTUJELWVUNWMP-MRXNPFEDSA-N 2 1 296.361 2.338 20 0 CEADMP Fc1ccc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1F ZINC000178971743 165263287 /nfs/dbraw/zinc/26/32/87/165263287.db2.gz CRTUJELWVUNWMP-MRXNPFEDSA-N 2 1 296.361 2.338 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1O ZINC000179953521 165294174 /nfs/dbraw/zinc/29/41/74/165294174.db2.gz BNNXKPPRONOEMN-GJZGRUSLSA-N 2 1 290.407 2.317 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1O ZINC000179953521 165294178 /nfs/dbraw/zinc/29/41/78/165294178.db2.gz BNNXKPPRONOEMN-GJZGRUSLSA-N 2 1 290.407 2.317 20 0 CEADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1O ZINC000179953521 165294181 /nfs/dbraw/zinc/29/41/81/165294181.db2.gz BNNXKPPRONOEMN-GJZGRUSLSA-N 2 1 290.407 2.317 20 0 CEADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1O ZINC000179953521 165294185 /nfs/dbraw/zinc/29/41/85/165294185.db2.gz BNNXKPPRONOEMN-GJZGRUSLSA-N 2 1 290.407 2.317 20 0 CEADMP CC[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](CC)C3)COC2)C1 ZINC000182226215 165366428 /nfs/dbraw/zinc/36/64/28/165366428.db2.gz HMXZYCGIUROFFA-IYBDPMFKSA-N 2 1 280.456 2.467 20 0 CEADMP CC[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](CC)C3)COC2)C1 ZINC000182226215 165366430 /nfs/dbraw/zinc/36/64/30/165366430.db2.gz HMXZYCGIUROFFA-IYBDPMFKSA-N 2 1 280.456 2.467 20 0 CEADMP CC[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](CC)C3)COC2)C1 ZINC000182226215 165366432 /nfs/dbraw/zinc/36/64/32/165366432.db2.gz HMXZYCGIUROFFA-IYBDPMFKSA-N 2 1 280.456 2.467 20 0 CEADMP C[C@@H](c1ccsc1)[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261770802 287158422 /nfs/dbraw/zinc/15/84/22/287158422.db2.gz MNUZVHMQNQXVPR-HOCLYGCPSA-N 2 1 293.480 2.426 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](CC)CN1C(C)=O ZINC000414714614 287183229 /nfs/dbraw/zinc/18/32/29/287183229.db2.gz XRILSNGDOCFCPV-RKTXRCNFSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@H](c2ccco2)N(C)C)CC1 ZINC000020122099 171001898 /nfs/dbraw/zinc/00/18/98/171001898.db2.gz YRRAXSVSNXHEOK-OAHLLOKOSA-N 2 1 279.428 2.345 20 0 CEADMP CCC[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000020524035 171237105 /nfs/dbraw/zinc/23/71/05/171237105.db2.gz BWEWEANOJGXPBO-MQVJKMGUSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000252118428 287269083 /nfs/dbraw/zinc/26/90/83/287269083.db2.gz IZBPSZULXLMYPY-PMPSAXMXSA-N 2 1 267.461 2.358 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000252118428 287269085 /nfs/dbraw/zinc/26/90/85/287269085.db2.gz IZBPSZULXLMYPY-PMPSAXMXSA-N 3 1 267.461 2.358 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000252118428 287269086 /nfs/dbraw/zinc/26/90/86/287269086.db2.gz IZBPSZULXLMYPY-PMPSAXMXSA-N 3 1 267.461 2.358 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000178740620 287271043 /nfs/dbraw/zinc/27/10/43/287271043.db2.gz IQPHITDTJJJJIS-CABCVRRESA-N 2 1 295.471 2.227 20 0 CEADMP COC(=O)Nc1cccc(C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000285569905 196331243 /nfs/dbraw/zinc/33/12/43/196331243.db2.gz SJGNGOBPLWUHTG-UHFFFAOYSA-N 2 1 277.368 2.049 20 0 CEADMP c1ccc(CC[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC000037515645 173247585 /nfs/dbraw/zinc/24/75/85/173247585.db2.gz JWZCJTVCZCOVAL-UHFFFAOYSA-N 2 1 288.435 2.462 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000660290410 414757755 /nfs/dbraw/zinc/75/77/55/414757755.db2.gz NLXLFBMFHOEIRJ-CQSZACIVSA-N 2 1 270.461 2.446 20 0 CEADMP CC1(C)C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000070356990 414771768 /nfs/dbraw/zinc/77/17/68/414771768.db2.gz DINJDUHFMGLRFJ-CHWSQXEVSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2)[C@@H]1CC[NH3+] ZINC000404301569 414777362 /nfs/dbraw/zinc/77/73/62/414777362.db2.gz GIOOAMCLKDCPGJ-DZGCQCFKSA-N 2 1 275.396 2.074 20 0 CEADMP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2)[C@@H]1CC[NH3+] ZINC000404301569 414777366 /nfs/dbraw/zinc/77/73/66/414777366.db2.gz GIOOAMCLKDCPGJ-DZGCQCFKSA-N 2 1 275.396 2.074 20 0 CEADMP C[C@H]1CCC[N@H+](CC(=O)N(C)c2ccccc2)[C@@H]1CC[NH3+] ZINC000404398751 414783069 /nfs/dbraw/zinc/78/30/69/414783069.db2.gz QAIPEWWKZIYZHA-GOEBONIOSA-N 2 1 289.423 2.099 20 0 CEADMP C[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccccc2)[C@@H]1CC[NH3+] ZINC000404398751 414783076 /nfs/dbraw/zinc/78/30/76/414783076.db2.gz QAIPEWWKZIYZHA-GOEBONIOSA-N 2 1 289.423 2.099 20 0 CEADMP CC(C)[NH+](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(C)C ZINC000400921431 414748223 /nfs/dbraw/zinc/74/82/23/414748223.db2.gz FZUVJBFSVAYSJW-HRCADAONSA-N 3 1 267.461 2.083 20 0 CEADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000660373677 414790055 /nfs/dbraw/zinc/79/00/55/414790055.db2.gz PYKYABQDJRXDDC-NWDGAFQWSA-N 2 1 284.366 2.254 20 0 CEADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000660373677 414790058 /nfs/dbraw/zinc/79/00/58/414790058.db2.gz PYKYABQDJRXDDC-NWDGAFQWSA-N 2 1 284.366 2.254 20 0 CEADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000122722624 414792470 /nfs/dbraw/zinc/79/24/70/414792470.db2.gz AODYAKLMRJMPJD-WFASDCNBSA-N 2 1 293.386 2.214 20 0 CEADMP CCO[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000405540519 414796757 /nfs/dbraw/zinc/79/67/57/414796757.db2.gz RPFHNGJLLYYECG-UXIGCNINSA-N 2 1 266.360 2.182 20 0 CEADMP CCO[C@@H]1C[N@H+]([C@H](C)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000405540519 414796762 /nfs/dbraw/zinc/79/67/62/414796762.db2.gz RPFHNGJLLYYECG-UXIGCNINSA-N 2 1 266.360 2.182 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(C)(C)C)C1 ZINC000660452730 414827366 /nfs/dbraw/zinc/82/73/66/414827366.db2.gz BNMFKAMXOUBNBJ-LSDHHAIUSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000660452730 414827369 /nfs/dbraw/zinc/82/73/69/414827369.db2.gz BNMFKAMXOUBNBJ-LSDHHAIUSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000660452730 414827372 /nfs/dbraw/zinc/82/73/72/414827372.db2.gz BNMFKAMXOUBNBJ-LSDHHAIUSA-N 2 1 270.461 2.446 20 0 CEADMP C1=CCC(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)C1 ZINC000660472083 414839564 /nfs/dbraw/zinc/83/95/64/414839564.db2.gz CAJSBKPXJGBRET-MRXNPFEDSA-N 2 1 264.413 2.139 20 0 CEADMP COC[C@@H](C)Oc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000657294255 414840142 /nfs/dbraw/zinc/84/01/42/414840142.db2.gz JXCOGWYFWAFPPW-CQSZACIVSA-N 2 1 292.423 2.284 20 0 CEADMP C[C@@H](C[NH2+]Cc1ccnn1CC1CC1)C[NH+]1CCCC1 ZINC000657319073 414856821 /nfs/dbraw/zinc/85/68/21/414856821.db2.gz QRZGACIJTBCRFP-AWEZNQCLSA-N 2 1 276.428 2.115 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000653110012 414908985 /nfs/dbraw/zinc/90/89/85/414908985.db2.gz UWHRBDLGDDGMAY-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653112763 414909670 /nfs/dbraw/zinc/90/96/70/414909670.db2.gz JGQPDFPNDFSQCE-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC[C@@H]1CCCCO1)C2 ZINC000660663165 414923480 /nfs/dbraw/zinc/92/34/80/414923480.db2.gz NOIMYFSWMYKUNL-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccncc1F)C2 ZINC000660665758 414927385 /nfs/dbraw/zinc/92/73/85/414927385.db2.gz XWFMMJOEJXJXAZ-HNNXBMFYSA-N 2 1 263.360 2.138 20 0 CEADMP c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCOC3)CC2)cc1 ZINC000660677316 414930068 /nfs/dbraw/zinc/93/00/68/414930068.db2.gz YOMOMAMQFFNZPM-QGZVFWFLSA-N 2 1 274.408 2.420 20 0 CEADMP CC1(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)COC1 ZINC000660678977 414932775 /nfs/dbraw/zinc/93/27/75/414932775.db2.gz KTDAMYDAIXZMQF-UHFFFAOYSA-N 2 1 274.408 2.277 20 0 CEADMP CN(CC[NH+]1CCCCC1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000653042072 414880413 /nfs/dbraw/zinc/88/04/13/414880413.db2.gz BWMGGCNYHGKRNH-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CC(C)(C)OCCCC[N@H+]1CCn2cncc2C1 ZINC000660581672 414886333 /nfs/dbraw/zinc/88/63/33/414886333.db2.gz HZIKZXJXCBLSQH-UHFFFAOYSA-N 2 1 251.374 2.294 20 0 CEADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497840 414970699 /nfs/dbraw/zinc/97/06/99/414970699.db2.gz KLYQYCNUMYATTJ-TUBUQKNSSA-N 2 1 287.407 2.054 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000663513196 414979369 /nfs/dbraw/zinc/97/93/69/414979369.db2.gz JPGMXZIUSPDURF-NEPJUHHUSA-N 2 1 260.385 2.082 20 0 CEADMP CCOCC[N@H+]1CCN(c2[nH+]ccc3[nH]ccc32)C[C@@H]1C ZINC000663555992 414987559 /nfs/dbraw/zinc/98/75/59/414987559.db2.gz VXNRNTPCVBEAEY-ZDUSSCGKSA-N 2 1 288.395 2.110 20 0 CEADMP C[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccccn1 ZINC000657534545 414991282 /nfs/dbraw/zinc/99/12/82/414991282.db2.gz HJJCVGNSQHARSM-ZDUSSCGKSA-N 2 1 270.380 2.436 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C/C=C\CO)CC[N@@H+]1Cc1ccccc1 ZINC000657593544 415016156 /nfs/dbraw/zinc/01/61/56/415016156.db2.gz ICAXZNFAGSESPD-BZOVTKSESA-N 2 1 274.408 2.178 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C/C=C\CO)CC[N@H+]1Cc1ccccc1 ZINC000657593544 415016161 /nfs/dbraw/zinc/01/61/61/415016161.db2.gz ICAXZNFAGSESPD-BZOVTKSESA-N 2 1 274.408 2.178 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CO1 ZINC000657457095 414947004 /nfs/dbraw/zinc/94/70/04/414947004.db2.gz FDIWWTSHUVOLOO-HXSCFSKGSA-N 2 1 252.402 2.160 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CO1 ZINC000657457098 414947143 /nfs/dbraw/zinc/94/71/43/414947143.db2.gz FDIWWTSHUVOLOO-SHWKFHJASA-N 2 1 252.402 2.160 20 0 CEADMP CC(C)n1ccnc1CNc1c[nH+]ccc1-n1ccnn1 ZINC000657465222 414951906 /nfs/dbraw/zinc/95/19/06/414951906.db2.gz IRXVNKBKDAHISE-UHFFFAOYSA-N 2 1 283.339 2.052 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468279 414963664 /nfs/dbraw/zinc/96/36/64/414963664.db2.gz LHABGSFMZFIRTH-WBVHZDCISA-N 2 1 290.455 2.373 20 0 CEADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465837 414963694 /nfs/dbraw/zinc/96/36/94/414963694.db2.gz LSCPLUVWWLZPFJ-CVEARBPZSA-N 2 1 288.439 2.430 20 0 CEADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663465837 414963699 /nfs/dbraw/zinc/96/36/99/414963699.db2.gz LSCPLUVWWLZPFJ-CVEARBPZSA-N 2 1 288.439 2.430 20 0 CEADMP CC[NH+]1CCC(NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663469894 414966750 /nfs/dbraw/zinc/96/67/50/414966750.db2.gz RLRMUUKHCJXKPL-MRXNPFEDSA-N 3 1 279.472 2.182 20 0 CEADMP CC[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663469894 414966757 /nfs/dbraw/zinc/96/67/57/414966757.db2.gz RLRMUUKHCJXKPL-MRXNPFEDSA-N 3 1 279.472 2.182 20 0 CEADMP Cc1ccncc1[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000653612227 415053236 /nfs/dbraw/zinc/05/32/36/415053236.db2.gz DYXWOWKDAVPISD-CYBMUJFWSA-N 2 1 258.369 2.407 20 0 CEADMP C[C@H](O)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000657815822 415093971 /nfs/dbraw/zinc/09/39/71/415093971.db2.gz HIINAQGXYVTPCY-LLLHUVSDSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H](O)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000657815822 415093974 /nfs/dbraw/zinc/09/39/74/415093974.db2.gz HIINAQGXYVTPCY-LLLHUVSDSA-N 2 1 274.408 2.325 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1C1CCC1 ZINC000660907928 415031552 /nfs/dbraw/zinc/03/15/52/415031552.db2.gz WIHRUBAJNTZFRZ-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000660907928 415031556 /nfs/dbraw/zinc/03/15/56/415031556.db2.gz WIHRUBAJNTZFRZ-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000660907928 415031560 /nfs/dbraw/zinc/03/15/60/415031560.db2.gz WIHRUBAJNTZFRZ-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)CN(C)CC ZINC000653556774 415032323 /nfs/dbraw/zinc/03/23/23/415032323.db2.gz ITQVOAKHGJXLNX-RDJZCZTQSA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)CN(C)CC ZINC000653556774 415032327 /nfs/dbraw/zinc/03/23/27/415032327.db2.gz ITQVOAKHGJXLNX-RDJZCZTQSA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000653556774 415032332 /nfs/dbraw/zinc/03/23/32/415032332.db2.gz ITQVOAKHGJXLNX-RDJZCZTQSA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000653556774 415032335 /nfs/dbraw/zinc/03/23/35/415032335.db2.gz ITQVOAKHGJXLNX-RDJZCZTQSA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@H]1c2ccccc2CC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000653556774 415032338 /nfs/dbraw/zinc/03/23/38/415032338.db2.gz ITQVOAKHGJXLNX-RDJZCZTQSA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@H]1c2ccccc2CC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000653556774 415032341 /nfs/dbraw/zinc/03/23/41/415032341.db2.gz ITQVOAKHGJXLNX-RDJZCZTQSA-N 2 1 276.424 2.308 20 0 CEADMP Cc1nsc(C)c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000653569483 415040229 /nfs/dbraw/zinc/04/02/29/415040229.db2.gz UBQVEHOVCFXLDU-UHFFFAOYSA-N 2 1 288.420 2.477 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCSCC2)CC1 ZINC000657834994 415099915 /nfs/dbraw/zinc/09/99/15/415099915.db2.gz JSNOSOGISCCHPI-INIZCTEOSA-N 2 1 299.528 2.279 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCCC[C@@H]1CO ZINC000653783151 415104774 /nfs/dbraw/zinc/10/47/74/415104774.db2.gz FBPDFDCZNMHUOB-OAHLLOKOSA-N 2 1 265.401 2.209 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCCC[C@@H]1CO ZINC000653783151 415104781 /nfs/dbraw/zinc/10/47/81/415104781.db2.gz FBPDFDCZNMHUOB-OAHLLOKOSA-N 2 1 265.401 2.209 20 0 CEADMP C1CC2(C1)C[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CO2 ZINC000657998712 415148955 /nfs/dbraw/zinc/14/89/55/415148955.db2.gz ADHLJJHEICQBSV-SLTAFYQDSA-N 2 1 264.413 2.305 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2CC[NH+]2C(C)(C)C)[C@@H](C)C1 ZINC000658057574 415178460 /nfs/dbraw/zinc/17/84/60/415178460.db2.gz PGFJEWRCPJKAQO-ZNMIVQPWSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CC[N@@H+]2C(C)(C)C)[C@@H](C)C1 ZINC000658057574 415178464 /nfs/dbraw/zinc/17/84/64/415178464.db2.gz PGFJEWRCPJKAQO-ZNMIVQPWSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CC[N@H+]2C(C)(C)C)[C@@H](C)C1 ZINC000658057574 415178470 /nfs/dbraw/zinc/17/84/70/415178470.db2.gz PGFJEWRCPJKAQO-ZNMIVQPWSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN2C(C)(C)C)[C@@H](C)C1 ZINC000658057574 415178475 /nfs/dbraw/zinc/17/84/75/415178475.db2.gz PGFJEWRCPJKAQO-ZNMIVQPWSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN2C(C)(C)C)[C@@H](C)C1 ZINC000658057574 415178479 /nfs/dbraw/zinc/17/84/79/415178479.db2.gz PGFJEWRCPJKAQO-ZNMIVQPWSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+]1CCC(N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000658092369 415204687 /nfs/dbraw/zinc/20/46/87/415204687.db2.gz QBKWGHYHCFIOJC-HNNXBMFYSA-N 2 1 267.461 2.323 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cnccc2C)[C@H](C)C1 ZINC000658125075 415220106 /nfs/dbraw/zinc/22/01/06/415220106.db2.gz KKHMKHHNUMKRBS-GDBMZVCRSA-N 2 1 261.413 2.252 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1C ZINC000658228099 415263450 /nfs/dbraw/zinc/26/34/50/415263450.db2.gz GBEOQIQNRQOYSN-BZUAXINKSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000658228099 415263452 /nfs/dbraw/zinc/26/34/52/415263452.db2.gz GBEOQIQNRQOYSN-BZUAXINKSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000658228099 415263457 /nfs/dbraw/zinc/26/34/57/415263457.db2.gz GBEOQIQNRQOYSN-BZUAXINKSA-N 2 1 279.472 2.466 20 0 CEADMP CC[NH+]1CCC(N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000658227428 415264557 /nfs/dbraw/zinc/26/45/57/415264557.db2.gz WVXYNUZYTSZLIC-INIZCTEOSA-N 2 1 279.472 2.467 20 0 CEADMP CC[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658227275 415264981 /nfs/dbraw/zinc/26/49/81/415264981.db2.gz AAXNCACJCZTDMO-CABCVRRESA-N 2 1 291.443 2.053 20 0 CEADMP CC[C@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658227275 415264985 /nfs/dbraw/zinc/26/49/85/415264985.db2.gz AAXNCACJCZTDMO-CABCVRRESA-N 2 1 291.443 2.053 20 0 CEADMP C[C@H]([NH2+]C/C=C/CO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658141363 415227206 /nfs/dbraw/zinc/22/72/06/415227206.db2.gz VDBAZRRKYIJHQR-KAWBWNIXSA-N 2 1 274.408 2.035 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000658316838 415315237 /nfs/dbraw/zinc/31/52/37/415315237.db2.gz SPGBASUQLXPOHU-NWANDNLSSA-N 2 1 254.418 2.264 20 0 CEADMP CO[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCC1 ZINC000658318766 415315750 /nfs/dbraw/zinc/31/57/50/415315750.db2.gz WLCSCTHXBHHCTH-IRXDYDNUSA-N 2 1 296.455 2.035 20 0 CEADMP Cc1ccccc1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655690913 415391456 /nfs/dbraw/zinc/39/14/56/415391456.db2.gz PXBKKLBLKLRTOI-SFHVURJKSA-N 2 1 288.435 2.380 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccncc1 ZINC000655721838 415412412 /nfs/dbraw/zinc/41/24/12/415412412.db2.gz RUTPGILFHYPOJJ-WMLDXEAASA-N 2 1 289.423 2.028 20 0 CEADMP Fc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655680306 415382204 /nfs/dbraw/zinc/38/22/04/415382204.db2.gz JJJOEDIOIIEQJB-QGZVFWFLSA-N 2 1 292.398 2.211 20 0 CEADMP CN(CCc1ccccc1)[C@@H]1CC[N@H+](CCn2ccnc2)C1 ZINC000661650749 415382537 /nfs/dbraw/zinc/38/25/37/415382537.db2.gz VUNFNBNPKQHZFE-GOSISDBHSA-N 2 1 298.434 2.132 20 0 CEADMP CN(CCc1ccccc1)[C@@H]1CC[N@@H+](CCn2ccnc2)C1 ZINC000661650749 415382544 /nfs/dbraw/zinc/38/25/44/415382544.db2.gz VUNFNBNPKQHZFE-GOSISDBHSA-N 2 1 298.434 2.132 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1nccs1 ZINC000655754464 415438294 /nfs/dbraw/zinc/43/82/94/415438294.db2.gz WRIHXTPRLSKWNM-JSGCOSHPSA-N 2 1 295.452 2.090 20 0 CEADMP COCC(C)(C)CCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655767999 415447942 /nfs/dbraw/zinc/44/79/42/415447942.db2.gz BVUKVHCHKVRQBB-INIZCTEOSA-N 2 1 298.471 2.282 20 0 CEADMP C(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC1CCOCC1 ZINC000655771257 415451508 /nfs/dbraw/zinc/45/15/08/415451508.db2.gz FNMMBNGOPGWJQE-QGZVFWFLSA-N 2 1 296.455 2.036 20 0 CEADMP Cc1csc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655772701 415452210 /nfs/dbraw/zinc/45/22/10/415452210.db2.gz JSPULQIXBGVOOQ-AWEZNQCLSA-N 2 1 280.437 2.399 20 0 CEADMP C(COCC1CCCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655774963 415454557 /nfs/dbraw/zinc/45/45/57/415454557.db2.gz NJDIKRPGASKRTG-QGZVFWFLSA-N 2 1 296.455 2.036 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000655776311 415456788 /nfs/dbraw/zinc/45/67/88/415456788.db2.gz FVNLBFREMLXCNW-GVDBMIGSSA-N 2 1 296.455 2.177 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@H](C)O1 ZINC000655777063 415458535 /nfs/dbraw/zinc/45/85/35/415458535.db2.gz QXNDRVIINSJNHZ-JYYAWHABSA-N 2 1 296.455 2.033 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661874536 415516794 /nfs/dbraw/zinc/51/67/94/415516794.db2.gz JVZFZFXZJWFDNR-JKSUJKDBSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661874536 415516801 /nfs/dbraw/zinc/51/68/01/415516801.db2.gz JVZFZFXZJWFDNR-JKSUJKDBSA-N 2 1 277.412 2.473 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1noc2ccccc21 ZINC000655937569 415555166 /nfs/dbraw/zinc/55/51/66/415555166.db2.gz AKZITINTHIKDAS-NEPJUHHUSA-N 2 1 259.353 2.039 20 0 CEADMP Fc1cc2c(cc1F)C[NH+](CC[C@H]1CC[NH2+]C1)C2 ZINC000655948351 415563691 /nfs/dbraw/zinc/56/36/91/415563691.db2.gz YLFAMFKHDZPSQF-SNVBAGLBSA-N 2 1 252.308 2.280 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251710 415651210 /nfs/dbraw/zinc/65/12/10/415651210.db2.gz XAYJFXNRDQPSNB-UTRMSSBJSA-N 2 1 299.462 2.204 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665236355 415637602 /nfs/dbraw/zinc/63/76/02/415637602.db2.gz LIDWLNWVPRDZEE-UAGQMJEPSA-N 2 1 289.467 2.407 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CC1CCC1 ZINC000662157533 415660490 /nfs/dbraw/zinc/66/04/90/415660490.db2.gz PSXSNRHFASWILW-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000662157533 415660494 /nfs/dbraw/zinc/66/04/94/415660494.db2.gz PSXSNRHFASWILW-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000662157533 415660499 /nfs/dbraw/zinc/66/04/99/415660499.db2.gz PSXSNRHFASWILW-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000665281976 415673617 /nfs/dbraw/zinc/67/36/17/415673617.db2.gz NVPNNKFSNHXVCX-KLHDSHLOSA-N 3 1 267.461 2.260 20 0 CEADMP Cc1ccc([C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C2CC2)cc1 ZINC000665291793 415678598 /nfs/dbraw/zinc/67/85/98/415678598.db2.gz LHOLMGWXWHCCHR-QGZVFWFLSA-N 2 1 298.390 2.190 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c(C)c1 ZINC000665290845 415680665 /nfs/dbraw/zinc/68/06/65/415680665.db2.gz MJVVFGOTXUAEEF-LBPRGKRZSA-N 2 1 286.379 2.109 20 0 CEADMP C[C@@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cnccc1N ZINC000665298856 415684958 /nfs/dbraw/zinc/68/49/58/415684958.db2.gz AZMGAFWADKFAPB-UKRRQHHQSA-N 3 1 288.439 2.267 20 0 CEADMP C[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnccc1N ZINC000665298856 415684963 /nfs/dbraw/zinc/68/49/63/415684963.db2.gz AZMGAFWADKFAPB-UKRRQHHQSA-N 3 1 288.439 2.267 20 0 CEADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[C@H]1C1CCCC1 ZINC000662253177 415717765 /nfs/dbraw/zinc/71/77/65/415717765.db2.gz SIJCZFMUUHZHDF-GJZGRUSLSA-N 2 1 264.413 2.162 20 0 CEADMP CCC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255680 415721509 /nfs/dbraw/zinc/72/15/09/415721509.db2.gz DDSMQMDVCIPKGS-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H](C)O1 ZINC000662254408 415721888 /nfs/dbraw/zinc/72/18/88/415721888.db2.gz QGBOBSMNOIJDNX-CZUORRHYSA-N 2 1 274.408 2.332 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CC2=CCSC2)CC1 ZINC000662263068 415728999 /nfs/dbraw/zinc/72/89/99/415728999.db2.gz GXUAZSVHMKQYOE-UHFFFAOYSA-N 2 1 297.512 2.008 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)C1CCCCC1 ZINC000662265819 415733336 /nfs/dbraw/zinc/73/33/36/415733336.db2.gz JBADSXUKPIMFQA-AEGPPILISA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@H](C[N@@H+](C)C1CC[NH2+]CC1)C1CCCCC1 ZINC000662238482 415702818 /nfs/dbraw/zinc/70/28/18/415702818.db2.gz QPMWLZPHUTZZPV-OAHLLOKOSA-N 2 1 254.418 2.266 20 0 CEADMP CO[C@@H](C[N@@H+]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000662244356 415707005 /nfs/dbraw/zinc/70/70/05/415707005.db2.gz PQFSJADGPPFKBP-CABCVRRESA-N 2 1 254.418 2.395 20 0 CEADMP CO[C@@H](C[N@H+]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000662244356 415707008 /nfs/dbraw/zinc/70/70/08/415707008.db2.gz PQFSJADGPPFKBP-CABCVRRESA-N 2 1 254.418 2.395 20 0 CEADMP COc1cccc(SCC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000662245556 415708575 /nfs/dbraw/zinc/70/85/75/415708575.db2.gz SFCSZZSJSXPJQB-DOMZBBRYSA-N 2 1 280.437 2.456 20 0 CEADMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)CC1CCCCC1 ZINC000662248563 415710399 /nfs/dbraw/zinc/71/03/99/415710399.db2.gz GBERSRUQTIFLEN-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP Fc1cccc(C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)c1 ZINC000662250473 415714355 /nfs/dbraw/zinc/71/43/55/415714355.db2.gz IXEUQZHTSRZNBZ-INIZCTEOSA-N 2 1 290.382 2.311 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662272632 415739133 /nfs/dbraw/zinc/73/91/33/415739133.db2.gz HGBVPBYTKKYMRE-AWEZNQCLSA-N 2 1 298.333 2.221 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662272275 415739227 /nfs/dbraw/zinc/73/92/27/415739227.db2.gz DEBODFFXUBAQLK-MRXNPFEDSA-N 3 1 273.424 2.036 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@](C)(C[NH3+])C1)C1CCCCC1 ZINC000662274603 415741695 /nfs/dbraw/zinc/74/16/95/415741695.db2.gz XRJPTEQCUXNVOO-LSDHHAIUSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOCc1ccccc1 ZINC000662275566 415742594 /nfs/dbraw/zinc/74/25/94/415742594.db2.gz CASRSPDBQPORTK-CQSZACIVSA-N 2 1 250.386 2.166 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000662278481 415744476 /nfs/dbraw/zinc/74/44/76/415744476.db2.gz YEGILCQALCLFRB-IJEWVQPXSA-N 2 1 262.397 2.179 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C1CCC1 ZINC000662277169 415745059 /nfs/dbraw/zinc/74/50/59/415745059.db2.gz RYKSJGIQXFVAHU-HRCADAONSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662280065 415745500 /nfs/dbraw/zinc/74/55/00/415745500.db2.gz XQAUDORELYOXJN-GFCCVEGCSA-N 2 1 298.789 2.432 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000662276839 415746717 /nfs/dbraw/zinc/74/67/17/415746717.db2.gz LNMQPDHPEIQYHV-JKSUJKDBSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)co1 ZINC000662272030 415738198 /nfs/dbraw/zinc/73/81/98/415738198.db2.gz BOLVJKDZYDGAIR-KGLIPLIRSA-N 2 1 263.385 2.195 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)co1 ZINC000662294267 415759999 /nfs/dbraw/zinc/75/99/99/415759999.db2.gz QOFFXRQAALPVOR-AWEZNQCLSA-N 2 1 263.385 2.195 20 0 CEADMP CC[N@@H+](CCOc1ccccc1OC)C[C@H]1CC[NH2+]C1 ZINC000662320792 415777808 /nfs/dbraw/zinc/77/78/08/415777808.db2.gz DSYWBEBCIWZMNZ-AWEZNQCLSA-N 2 1 278.396 2.005 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310815 415772631 /nfs/dbraw/zinc/77/26/31/415772631.db2.gz NFWHJIVVLCCEAK-ZACQAIPSSA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310815 415772635 /nfs/dbraw/zinc/77/26/35/415772635.db2.gz NFWHJIVVLCCEAK-ZACQAIPSSA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310815 415772641 /nfs/dbraw/zinc/77/26/41/415772641.db2.gz NFWHJIVVLCCEAK-ZACQAIPSSA-N 2 1 278.440 2.363 20 0 CEADMP CCCc1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])no1 ZINC000662313250 415773741 /nfs/dbraw/zinc/77/37/41/415773741.db2.gz HWZRZCLWIPXSKT-CHWSQXEVSA-N 2 1 280.416 2.362 20 0 CEADMP CCCc1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])no1 ZINC000662313250 415773746 /nfs/dbraw/zinc/77/37/46/415773746.db2.gz HWZRZCLWIPXSKT-CHWSQXEVSA-N 2 1 280.416 2.362 20 0 CEADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662285451 415750813 /nfs/dbraw/zinc/75/08/13/415750813.db2.gz KARFUBIQVWDQMM-HUUCEWRRSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662285457 415751412 /nfs/dbraw/zinc/75/14/12/415751412.db2.gz KARFUBIQVWDQMM-LSDHHAIUSA-N 2 1 266.429 2.408 20 0 CEADMP c1c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nn2c1CCC2 ZINC000662294618 415758321 /nfs/dbraw/zinc/75/83/21/415758321.db2.gz RIYLSOBZWXOPGO-HNNXBMFYSA-N 2 1 288.439 2.041 20 0 CEADMP Cc1noc([C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662296831 415759447 /nfs/dbraw/zinc/75/94/47/415759447.db2.gz NPHRBFLPUSEHEB-SMDDNHRTSA-N 2 1 278.400 2.151 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000660009848 415848644 /nfs/dbraw/zinc/84/86/44/415848644.db2.gz BVUCKINGKKRQSX-MHORFTMASA-N 2 1 293.499 2.380 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000660009848 415848647 /nfs/dbraw/zinc/84/86/47/415848647.db2.gz BVUCKINGKKRQSX-MHORFTMASA-N 2 1 293.499 2.380 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000660009848 415848652 /nfs/dbraw/zinc/84/86/52/415848652.db2.gz BVUCKINGKKRQSX-MHORFTMASA-N 2 1 293.499 2.380 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCC2CCC2)CC1 ZINC000659911214 415778169 /nfs/dbraw/zinc/77/81/69/415778169.db2.gz WCLFOIZLMRNACQ-QGZVFWFLSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCO1 ZINC000662326144 415780517 /nfs/dbraw/zinc/78/05/17/415780517.db2.gz OWUYEWFCUIYSMM-WCXIOVBPSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H](CC(F)(F)F)O1 ZINC000662326107 415781518 /nfs/dbraw/zinc/78/15/18/415781518.db2.gz NWXLNXFWFFUDKX-AAEUAGOBSA-N 2 1 294.361 2.418 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC2CCC2)CCO1 ZINC000662325442 415781622 /nfs/dbraw/zinc/78/16/22/415781622.db2.gz GHVZGJBFTVELQB-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CC2=CCSC2)cc1 ZINC000662326704 415785112 /nfs/dbraw/zinc/78/51/12/415785112.db2.gz AOVRWQAPUGGBCY-HNNXBMFYSA-N 2 1 292.448 2.343 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC3CC2(C)C3)cc1 ZINC000662338435 415789018 /nfs/dbraw/zinc/78/90/18/415789018.db2.gz RFUDLNDULXGWGG-UGWHAMFMSA-N 2 1 260.381 2.222 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CCC1 ZINC000660013395 415851294 /nfs/dbraw/zinc/85/12/94/415851294.db2.gz WYRRZACFXDUWBW-OWCLPIDISA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1CCC1 ZINC000660013395 415851296 /nfs/dbraw/zinc/85/12/96/415851296.db2.gz WYRRZACFXDUWBW-OWCLPIDISA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1CCC1 ZINC000660013395 415851301 /nfs/dbraw/zinc/85/13/01/415851301.db2.gz WYRRZACFXDUWBW-OWCLPIDISA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)[NH2+]CC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000662385760 415819617 /nfs/dbraw/zinc/81/96/17/415819617.db2.gz FBWSQIYQWPYICR-UHFFFAOYSA-N 2 1 291.439 2.141 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC000659982282 415827285 /nfs/dbraw/zinc/82/72/85/415827285.db2.gz JFPBGBWNMZAPMZ-CHWSQXEVSA-N 2 1 276.371 2.074 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC000659982282 415827290 /nfs/dbraw/zinc/82/72/90/415827290.db2.gz JFPBGBWNMZAPMZ-CHWSQXEVSA-N 2 1 276.371 2.074 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000659982282 415827295 /nfs/dbraw/zinc/82/72/95/415827295.db2.gz JFPBGBWNMZAPMZ-CHWSQXEVSA-N 2 1 276.371 2.074 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000659982282 415827299 /nfs/dbraw/zinc/82/72/99/415827299.db2.gz JFPBGBWNMZAPMZ-CHWSQXEVSA-N 2 1 276.371 2.074 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000662497957 415866432 /nfs/dbraw/zinc/86/64/32/415866432.db2.gz KKJPFJFXZFZFOT-CVEARBPZSA-N 2 1 297.487 2.092 20 0 CEADMP COc1cccc([C@]2(C)CC[N@H+](CC(C)(C)[NH3+])C2)c1 ZINC000656792626 415866711 /nfs/dbraw/zinc/86/67/11/415866711.db2.gz UGAPCRBNSZXIAH-MRXNPFEDSA-N 2 1 262.397 2.396 20 0 CEADMP COc1cccc([C@]2(C)CC[N@@H+](CC(C)(C)[NH3+])C2)c1 ZINC000656792626 415866712 /nfs/dbraw/zinc/86/67/12/415866712.db2.gz UGAPCRBNSZXIAH-MRXNPFEDSA-N 2 1 262.397 2.396 20 0 CEADMP C[C@@H](CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)C1CC[NH2+]CC1 ZINC000662623637 415907713 /nfs/dbraw/zinc/90/77/13/415907713.db2.gz ZLQFSRNRSRMRKA-ZFWWWQNUSA-N 2 1 295.471 2.001 20 0 CEADMP CCc1nnc([C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)[nH]1 ZINC000660155277 415907765 /nfs/dbraw/zinc/90/77/65/415907765.db2.gz ALWFXAAAUTWENI-ZDUSSCGKSA-N 2 1 293.459 2.482 20 0 CEADMP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000662461014 415852277 /nfs/dbraw/zinc/85/22/77/415852277.db2.gz XSYAOELLOLKOGN-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP c1csc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000656785943 415862105 /nfs/dbraw/zinc/86/21/05/415862105.db2.gz NPDQVGKERJJJOG-ZDUSSCGKSA-N 2 1 265.426 2.355 20 0 CEADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000656788549 415862387 /nfs/dbraw/zinc/86/23/87/415862387.db2.gz AJSRBAQQLZGTHS-DJIMGWMZSA-N 2 1 274.408 2.148 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC1([NH3+])CCCC1 ZINC000656789490 415863547 /nfs/dbraw/zinc/86/35/47/415863547.db2.gz OXDKEVUIWYJBPS-NVXWUHKLSA-N 2 1 287.451 2.368 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1([NH3+])CCCC1 ZINC000656789490 415863553 /nfs/dbraw/zinc/86/35/53/415863553.db2.gz OXDKEVUIWYJBPS-NVXWUHKLSA-N 2 1 287.451 2.368 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000656792555 415865849 /nfs/dbraw/zinc/86/58/49/415865849.db2.gz SKMIEPZNODBHRY-UHFFFAOYSA-N 2 1 260.381 2.053 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C(C)(C)C1 ZINC000660278244 415951265 /nfs/dbraw/zinc/95/12/65/415951265.db2.gz RHYPVCVIVTVFSF-KGLIPLIRSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000660278244 415951268 /nfs/dbraw/zinc/95/12/68/415951268.db2.gz RHYPVCVIVTVFSF-KGLIPLIRSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000660278244 415951270 /nfs/dbraw/zinc/95/12/70/415951270.db2.gz RHYPVCVIVTVFSF-KGLIPLIRSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH2+]CC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000662696214 415932459 /nfs/dbraw/zinc/93/24/59/415932459.db2.gz WLKDUSZFAYHTMX-UHFFFAOYSA-N 2 1 291.439 2.141 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCOc2ccccc2OC)CC1 ZINC000077249635 177239548 /nfs/dbraw/zinc/23/95/48/177239548.db2.gz INRUOGXVRRVZHX-UHFFFAOYSA-N 2 1 292.423 2.490 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCOc2ccccc2OC)CC1 ZINC000077249635 177239550 /nfs/dbraw/zinc/23/95/50/177239550.db2.gz INRUOGXVRRVZHX-UHFFFAOYSA-N 2 1 292.423 2.490 20 0 CEADMP COC(=O)CC1([NH2+]CCCc2c[nH+]cn2C)CCCCC1 ZINC000566745592 299020499 /nfs/dbraw/zinc/02/04/99/299020499.db2.gz CVNZHISHCNEMFB-UHFFFAOYSA-N 2 1 293.411 2.208 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CC23CC3)s1 ZINC000418106095 228055113 /nfs/dbraw/zinc/05/51/13/228055113.db2.gz YWWVFYUGJAUCSS-JTQLQIEISA-N 2 1 251.399 2.094 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccccc2-n2cncn2)CCCCCC1 ZINC000666808169 419433749 /nfs/dbraw/zinc/43/37/49/419433749.db2.gz KOVWLACVOVANBW-UHFFFAOYSA-N 2 1 299.422 2.409 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2nccc3ccccc32)CC[NH2+]1 ZINC000666873227 419454038 /nfs/dbraw/zinc/45/40/38/419454038.db2.gz INFILROTQMIZLR-OCCSQVGLSA-N 2 1 255.365 2.465 20 0 CEADMP CC(C)n1nccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993746 419506278 /nfs/dbraw/zinc/50/62/78/419506278.db2.gz HAIUVGVAABZKEB-ZDUSSCGKSA-N 2 1 262.401 2.228 20 0 CEADMP COc1cccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1OC ZINC000666998480 419508431 /nfs/dbraw/zinc/50/84/31/419508431.db2.gz WHICBCJPLZAMAH-CQSZACIVSA-N 2 1 290.407 2.468 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc3n2CCC3)C[C@@H]1C ZINC000667664769 419761968 /nfs/dbraw/zinc/76/19/68/419761968.db2.gz SHSKRUPRWUZXQI-UONOGXRCSA-N 2 1 276.428 2.134 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000666693920 419777818 /nfs/dbraw/zinc/77/78/18/419777818.db2.gz GRBLYPRLZRRSQH-CVEARBPZSA-N 2 1 261.413 2.319 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000666693920 419777826 /nfs/dbraw/zinc/77/78/26/419777826.db2.gz GRBLYPRLZRRSQH-CVEARBPZSA-N 2 1 261.413 2.319 20 0 CEADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000667780060 419800146 /nfs/dbraw/zinc/80/01/46/419800146.db2.gz VCCXIUPKESNAGV-CQSZACIVSA-N 2 1 290.411 2.012 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000517556773 260191842 /nfs/dbraw/zinc/19/18/42/260191842.db2.gz ORUHIIHJXWRBSD-VNHYZAJKSA-N 2 1 282.453 2.492 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000517556773 260191843 /nfs/dbraw/zinc/19/18/43/260191843.db2.gz ORUHIIHJXWRBSD-VNHYZAJKSA-N 2 1 282.453 2.492 20 0 CEADMP c1cn(CCC[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cn1 ZINC000518179297 260350782 /nfs/dbraw/zinc/35/07/82/260350782.db2.gz TXSBKTSLVJYXEU-LSDHHAIUSA-N 2 1 263.385 2.164 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390430816 262191991 /nfs/dbraw/zinc/19/19/91/262191991.db2.gz PLFMDRRCENLNAR-RHSMWYFYSA-N 2 1 284.407 2.019 20 0 CEADMP C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488424086 262318412 /nfs/dbraw/zinc/31/84/12/262318412.db2.gz CFQSCFFSAOMLEY-WMLDXEAASA-N 2 1 274.408 2.264 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488424083 262318416 /nfs/dbraw/zinc/31/84/16/262318416.db2.gz CFQSCFFSAOMLEY-RHSMWYFYSA-N 2 1 274.408 2.264 20 0 CEADMP Cc1ccc(CCC[N@H+]2CCC[C@@H](n3ccnn3)C2)cn1 ZINC000425346773 264019582 /nfs/dbraw/zinc/01/95/82/264019582.db2.gz GPQCTLLRWGLZGA-MRXNPFEDSA-N 2 1 285.395 2.251 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)[C@@H]2CCC[C@@H]21 ZINC000425954008 264071435 /nfs/dbraw/zinc/07/14/35/264071435.db2.gz MGLABARBORSTGH-AVGNSLFASA-N 2 1 258.356 2.494 20 0 CEADMP CS[C@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000425351660 264122729 /nfs/dbraw/zinc/12/27/29/264122729.db2.gz MEPXULKEJLSOPU-KBPBESRZSA-N 2 1 284.469 2.115 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000425414401 264292104 /nfs/dbraw/zinc/29/21/04/264292104.db2.gz FWWNSLGCFJCUGV-HOCLYGCPSA-N 2 1 266.429 2.219 20 0 CEADMP CCc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)s1 ZINC000514644629 266025058 /nfs/dbraw/zinc/02/50/58/266025058.db2.gz KDAAZHCTFZRMOW-TXEJJXNPSA-N 2 1 250.411 2.304 20 0 CEADMP CCc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)s1 ZINC000514644629 266025061 /nfs/dbraw/zinc/02/50/61/266025061.db2.gz KDAAZHCTFZRMOW-TXEJJXNPSA-N 2 1 250.411 2.304 20 0 CEADMP CCc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)s1 ZINC000514644629 266025063 /nfs/dbraw/zinc/02/50/63/266025063.db2.gz KDAAZHCTFZRMOW-TXEJJXNPSA-N 2 1 250.411 2.304 20 0 CEADMP CCc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)s1 ZINC000514644629 266025066 /nfs/dbraw/zinc/02/50/66/266025066.db2.gz KDAAZHCTFZRMOW-TXEJJXNPSA-N 2 1 250.411 2.304 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)CC(F)(F)F)CC1 ZINC000189502590 270262415 /nfs/dbraw/zinc/26/24/15/270262415.db2.gz OQDNNKNXKHJYQH-LBPRGKRZSA-N 2 1 282.350 2.106 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@H+](C)C2)o1 ZINC000044532856 270229578 /nfs/dbraw/zinc/22/95/78/270229578.db2.gz JBWFDCLEUFIJLS-CYBMUJFWSA-N 2 1 288.395 2.410 20 0 CEADMP CC[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192778829 270280094 /nfs/dbraw/zinc/28/00/94/270280094.db2.gz OJGVULIQTDWJRV-LSVZVQIISA-N 2 1 265.445 2.028 20 0 CEADMP CC(C)(C[NH2+][C@H]1CCC[NH2+]C1)c1ccccc1F ZINC000259063262 270329564 /nfs/dbraw/zinc/32/95/64/270329564.db2.gz QIRWYYUKYZBCDQ-LBPRGKRZSA-N 2 1 250.361 2.445 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cncc(F)c2)C[C@H]1C[NH3+] ZINC000397334995 270353350 /nfs/dbraw/zinc/35/33/50/270353350.db2.gz XYBHQKJHNLGPPA-NTZNESFSSA-N 2 1 251.349 2.026 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cncc(F)c2)C[C@H]1C[NH3+] ZINC000397334995 270353353 /nfs/dbraw/zinc/35/33/53/270353353.db2.gz XYBHQKJHNLGPPA-NTZNESFSSA-N 2 1 251.349 2.026 20 0 CEADMP Cc1ncsc1CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397355866 270353573 /nfs/dbraw/zinc/35/35/73/270353573.db2.gz FAPCCAWHINHMPR-WZRBSPASSA-N 2 1 267.442 2.299 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC([NH3+])(CC)CC)C[C@@H]1C ZINC000418427773 270373093 /nfs/dbraw/zinc/37/30/93/270373093.db2.gz OVNOQKRGRKYIIZ-KBPBESRZSA-N 2 1 298.475 2.018 20 0 CEADMP c1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420343792 270522965 /nfs/dbraw/zinc/52/29/65/270522965.db2.gz RIGUKQCUBJRNSW-CVEARBPZSA-N 2 1 274.408 2.387 20 0 CEADMP COC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000420423217 270538387 /nfs/dbraw/zinc/53/83/87/270538387.db2.gz ZZFLOJRVQUKOHN-ABAIWWIYSA-N 2 1 284.350 2.242 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422773779 270760526 /nfs/dbraw/zinc/76/05/26/270760526.db2.gz ZEVPVHIDLOOONW-VXGBXAGGSA-N 2 1 256.296 2.257 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000422772804 270761273 /nfs/dbraw/zinc/76/12/73/270761273.db2.gz ZPRORLCDFIMQBV-KGLIPLIRSA-N 2 1 257.466 2.460 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000422820885 270784364 /nfs/dbraw/zinc/78/43/64/270784364.db2.gz SUJSPGGXIFALSO-UWVGGRQHSA-N 2 1 266.776 2.203 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423304382 270892404 /nfs/dbraw/zinc/89/24/04/270892404.db2.gz YNQKIHHTYSEZIU-LSDHHAIUSA-N 2 1 262.397 2.487 20 0 CEADMP COc1cc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc(OC)c1OC ZINC000423321378 270896548 /nfs/dbraw/zinc/89/65/48/270896548.db2.gz HLWDMOVPKSCTSA-NSHDSACASA-N 2 1 294.395 2.244 20 0 CEADMP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)cn1 ZINC000423570689 270926054 /nfs/dbraw/zinc/92/60/54/270926054.db2.gz WVWFVKGENQQGLU-CYBMUJFWSA-N 2 1 251.349 2.404 20 0 CEADMP C[C@H]1C[N@H+](C)CCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424137762 271020305 /nfs/dbraw/zinc/02/03/05/271020305.db2.gz CKTWEYACOQNKQX-GOEBONIOSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@H]1C[N@@H+](C)CCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424137762 271020309 /nfs/dbraw/zinc/02/03/09/271020309.db2.gz CKTWEYACOQNKQX-GOEBONIOSA-N 2 1 295.471 2.227 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CC(CC(=O)OC)C1 ZINC000424316907 271043512 /nfs/dbraw/zinc/04/35/12/271043512.db2.gz QOFKQDDOJRIIMH-YMAMQOFZSA-N 2 1 282.428 2.182 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CC(CC(=O)OC)C1 ZINC000424316907 271043516 /nfs/dbraw/zinc/04/35/16/271043516.db2.gz QOFKQDDOJRIIMH-YMAMQOFZSA-N 2 1 282.428 2.182 20 0 CEADMP CC(C)n1cncc1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000425322051 271155464 /nfs/dbraw/zinc/15/54/64/271155464.db2.gz GMNGOSXSQJFZLO-CQSZACIVSA-N 2 1 264.417 2.238 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)CC[NH+]1CCCC[C@H]1C ZINC000427862956 271239706 /nfs/dbraw/zinc/23/97/06/271239706.db2.gz HSYNXWHFNLOVQY-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000427862956 271239709 /nfs/dbraw/zinc/23/97/09/271239709.db2.gz HSYNXWHFNLOVQY-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000427862956 271239712 /nfs/dbraw/zinc/23/97/12/271239712.db2.gz HSYNXWHFNLOVQY-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000430568427 271392425 /nfs/dbraw/zinc/39/24/25/271392425.db2.gz CEPMXRWUUQDUSC-DOMZBBRYSA-N 2 1 275.396 2.204 20 0 CEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000430586913 271397012 /nfs/dbraw/zinc/39/70/12/271397012.db2.gz UICYZIWJLUHXJW-MRXNPFEDSA-N 2 1 294.395 2.147 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1(C)CC1 ZINC000432413842 271491268 /nfs/dbraw/zinc/49/12/68/271491268.db2.gz IITDWODNRODBRW-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1(C)CC1 ZINC000432413842 271491272 /nfs/dbraw/zinc/49/12/72/271491272.db2.gz IITDWODNRODBRW-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000289294042 274392502 /nfs/dbraw/zinc/39/25/02/274392502.db2.gz RJQKYSGDGDVTEN-JKIFEVAISA-N 2 1 274.408 2.281 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000335494651 274484263 /nfs/dbraw/zinc/48/42/63/274484263.db2.gz CHGPJMRZMIDACH-NOZJJQNGSA-N 2 1 283.213 2.243 20 0 CEADMP Cc1nc2c(s1)[C@@H]([NH2+]C1CC[NH2+]CC1)CCC2 ZINC000335563831 274849064 /nfs/dbraw/zinc/84/90/64/274849064.db2.gz HISNOKXJSJDPJB-LBPRGKRZSA-N 2 1 251.399 2.171 20 0 CEADMP CC(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C1(C)C ZINC000185190457 275662049 /nfs/dbraw/zinc/66/20/49/275662049.db2.gz PKPBOSPRFRMXLH-KBPBESRZSA-N 2 1 254.418 2.262 20 0 CEADMP CCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000370160849 276014704 /nfs/dbraw/zinc/01/47/04/276014704.db2.gz IOVARRRPSFJKKQ-AAEUAGOBSA-N 2 1 280.441 2.265 20 0 CEADMP CCC[C@@H](C)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000180069238 276021905 /nfs/dbraw/zinc/02/19/05/276021905.db2.gz RMFGXQIKSIYMMH-CVEARBPZSA-N 2 1 267.461 2.134 20 0 CEADMP CCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000236816861 276042727 /nfs/dbraw/zinc/04/27/27/276042727.db2.gz TZHKGJCJEXEQOA-INIZCTEOSA-N 2 1 295.471 2.228 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358928146 276097812 /nfs/dbraw/zinc/09/78/12/276097812.db2.gz FDZCDMUOFUHMFY-CQSZACIVSA-N 2 1 264.417 2.119 20 0 CEADMP CCN1CCC([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000020143118 276151165 /nfs/dbraw/zinc/15/11/65/276151165.db2.gz GLPUBSWOCOLOAT-UHFFFAOYSA-N 2 1 267.461 2.370 20 0 CEADMP CCCC1CCC(C[N@@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC000357971947 276225807 /nfs/dbraw/zinc/22/58/07/276225807.db2.gz UNRXIIJLBPXBHU-YMAMQOFZSA-N 2 1 254.418 2.252 20 0 CEADMP CCCC1CCC(C[N@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC000357971947 276225809 /nfs/dbraw/zinc/22/58/09/276225809.db2.gz UNRXIIJLBPXBHU-YMAMQOFZSA-N 2 1 254.418 2.252 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@@H]1C ZINC000359430337 276287463 /nfs/dbraw/zinc/28/74/63/276287463.db2.gz UEJHUSKPKHSCKX-NUEKZKHPSA-N 2 1 294.439 2.206 20 0 CEADMP CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351595002 276397343 /nfs/dbraw/zinc/39/73/43/276397343.db2.gz PWLDGECXWWFPDS-RBSFLKMASA-N 2 1 286.485 2.095 20 0 CEADMP CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351595002 276397344 /nfs/dbraw/zinc/39/73/44/276397344.db2.gz PWLDGECXWWFPDS-RBSFLKMASA-N 2 1 286.485 2.095 20 0 CEADMP C[NH+](C)C1(C[NH2+]C[C@@H]2CCCOC2)CCCCC1 ZINC000111317815 276753942 /nfs/dbraw/zinc/75/39/42/276753942.db2.gz WHUAVYBICOMNSA-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP CN1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000336463049 277030929 /nfs/dbraw/zinc/03/09/29/277030929.db2.gz AESSLYGHKWEIJH-UHFFFAOYSA-N 2 1 279.472 2.467 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(CCO)CCCCC1 ZINC000348256338 277061658 /nfs/dbraw/zinc/06/16/58/277061658.db2.gz MZZWSLIEBQTHGU-CQSZACIVSA-N 2 1 254.418 2.146 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)C3CCCCC3)CC[C@H]21 ZINC000229051497 277068641 /nfs/dbraw/zinc/06/86/41/277068641.db2.gz RKSYIIVEDIZRDE-BRWVUGGUSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)CC[C@H]21 ZINC000229051497 277068642 /nfs/dbraw/zinc/06/86/42/277068642.db2.gz RKSYIIVEDIZRDE-BRWVUGGUSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)CC[C@H]21 ZINC000229051497 277068643 /nfs/dbraw/zinc/06/86/43/277068643.db2.gz RKSYIIVEDIZRDE-BRWVUGGUSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCO[C@@H]3CCCCO3)C2)C1 ZINC000339436761 277071974 /nfs/dbraw/zinc/07/19/74/277071974.db2.gz JDUDWWCZCYJVMQ-IAGOWNOFSA-N 2 1 296.455 2.337 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCO[C@@H]3CCCCO3)C2)C1 ZINC000339436761 277071975 /nfs/dbraw/zinc/07/19/75/277071975.db2.gz JDUDWWCZCYJVMQ-IAGOWNOFSA-N 2 1 296.455 2.337 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCO[C@@H]3CCCCO3)C2)C1 ZINC000339436761 277071977 /nfs/dbraw/zinc/07/19/77/277071977.db2.gz JDUDWWCZCYJVMQ-IAGOWNOFSA-N 2 1 296.455 2.337 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000336839836 277078104 /nfs/dbraw/zinc/07/81/04/277078104.db2.gz PGADRKHUSSWANB-STQMWFEESA-N 2 1 294.361 2.250 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000336839836 277078105 /nfs/dbraw/zinc/07/81/05/277078105.db2.gz PGADRKHUSSWANB-STQMWFEESA-N 2 1 294.361 2.250 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000336839836 277078106 /nfs/dbraw/zinc/07/81/06/277078106.db2.gz PGADRKHUSSWANB-STQMWFEESA-N 2 1 294.361 2.250 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCO[C@@H]3CCCCO3)C2)C1 ZINC000339436763 277086593 /nfs/dbraw/zinc/08/65/93/277086593.db2.gz JDUDWWCZCYJVMQ-SJORKVTESA-N 2 1 296.455 2.337 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCO[C@@H]3CCCCO3)C2)C1 ZINC000339436763 277086594 /nfs/dbraw/zinc/08/65/94/277086594.db2.gz JDUDWWCZCYJVMQ-SJORKVTESA-N 2 1 296.455 2.337 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCO[C@@H]3CCCCO3)C2)C1 ZINC000339436763 277086595 /nfs/dbraw/zinc/08/65/95/277086595.db2.gz JDUDWWCZCYJVMQ-SJORKVTESA-N 2 1 296.455 2.337 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@H]2CCC=CO2)C1 ZINC000377839288 277157713 /nfs/dbraw/zinc/15/77/13/277157713.db2.gz HXCJSCHHOXWFOW-QLFBSQMISA-N 2 1 250.386 2.095 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@@H]2CCC=CO2)C1 ZINC000377839288 277157710 /nfs/dbraw/zinc/15/77/10/277157710.db2.gz HXCJSCHHOXWFOW-QLFBSQMISA-N 2 1 250.386 2.095 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@@H]2CCC=CO2)C1 ZINC000377839288 277157711 /nfs/dbraw/zinc/15/77/11/277157711.db2.gz HXCJSCHHOXWFOW-QLFBSQMISA-N 2 1 250.386 2.095 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@H]2CCC[C@H]21 ZINC000375897093 277172365 /nfs/dbraw/zinc/17/23/65/277172365.db2.gz DCMPIXCVOQYACT-QLFBSQMISA-N 2 1 288.391 2.378 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000158475090 277275554 /nfs/dbraw/zinc/27/55/54/277275554.db2.gz WMRIMFUHBPJDFQ-ZDUSSCGKSA-N 2 1 278.444 2.149 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000158475090 277275555 /nfs/dbraw/zinc/27/55/55/277275555.db2.gz WMRIMFUHBPJDFQ-ZDUSSCGKSA-N 2 1 278.444 2.149 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C12CCC2 ZINC000414176449 277312538 /nfs/dbraw/zinc/31/25/38/277312538.db2.gz IDUINIQLOVCFRA-QKGCVVFFSA-N 2 1 266.429 2.262 20 0 CEADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000358661452 277451137 /nfs/dbraw/zinc/45/11/37/277451137.db2.gz MLPDUNHPJSWEJE-RRFJBIMHSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H](C)O1 ZINC000414279588 278013240 /nfs/dbraw/zinc/01/32/40/278013240.db2.gz JQTJIBRWPCAOEJ-KHMAMNHCSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCO1 ZINC000356666681 278013290 /nfs/dbraw/zinc/01/32/90/278013290.db2.gz ABFBKSNHGJKTFQ-XLWJZTARSA-N 2 1 254.418 2.120 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2(O)CCCCCC2)CC[N@H+]1C ZINC000129796156 278025129 /nfs/dbraw/zinc/02/51/29/278025129.db2.gz GMHBSZJLPRPOCL-ZIAGYGMSSA-N 2 1 254.418 2.144 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCOC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358482279 278265105 /nfs/dbraw/zinc/26/51/05/278265105.db2.gz ISZXQWSQBRZHEY-ZNMIVQPWSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCOC1 ZINC000356768796 278274760 /nfs/dbraw/zinc/27/47/60/278274760.db2.gz HWORMQJUKJTFGR-YJNKXOJESA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000300409995 278274827 /nfs/dbraw/zinc/27/48/27/278274827.db2.gz CZHUWMJQQCJOAI-CFVMTHIKSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1(C(=O)OC)CCC1 ZINC000369836535 288070401 /nfs/dbraw/zinc/07/04/01/288070401.db2.gz VMQYUHVYPGKVTF-ILXRZTDVSA-N 2 1 294.439 2.325 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000229603212 288076266 /nfs/dbraw/zinc/07/62/66/288076266.db2.gz MZARUTPMPNRUJY-NFAWXSAZSA-N 2 1 260.381 2.092 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@@H]1NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000343693740 288090026 /nfs/dbraw/zinc/09/00/26/288090026.db2.gz NEMKNFACPPJGAG-QXSJWSMHSA-N 2 1 281.488 2.283 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000343693740 288090028 /nfs/dbraw/zinc/09/00/28/288090028.db2.gz NEMKNFACPPJGAG-QXSJWSMHSA-N 2 1 281.488 2.283 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@@H]1NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343693740 288090030 /nfs/dbraw/zinc/09/00/30/288090030.db2.gz NEMKNFACPPJGAG-QXSJWSMHSA-N 2 1 281.488 2.283 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@@H]1NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343693740 288090032 /nfs/dbraw/zinc/09/00/32/288090032.db2.gz NEMKNFACPPJGAG-QXSJWSMHSA-N 2 1 281.488 2.283 20 0 CEADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366867015 279074109 /nfs/dbraw/zinc/07/41/09/279074109.db2.gz IDPWOFQGBAQCGP-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000338283190 279094730 /nfs/dbraw/zinc/09/47/30/279094730.db2.gz HIWDNFNMJRLWGQ-CVEARBPZSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000372806120 279095060 /nfs/dbraw/zinc/09/50/60/279095060.db2.gz IJJVRRYDOWKZLM-HNNXBMFYSA-N 2 1 278.444 2.331 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000372806120 279095062 /nfs/dbraw/zinc/09/50/62/279095062.db2.gz IJJVRRYDOWKZLM-HNNXBMFYSA-N 2 1 278.444 2.331 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000366948611 279095753 /nfs/dbraw/zinc/09/57/53/279095753.db2.gz YKDMYSJSLLUUHW-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP CC(C)C[C@H]([NH3+])C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000037901333 279176977 /nfs/dbraw/zinc/17/69/77/279176977.db2.gz OODYVZQBQMGARE-HNNXBMFYSA-N 2 1 283.460 2.131 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000414693169 279180523 /nfs/dbraw/zinc/18/05/23/279180523.db2.gz DWUZFBTVYDISJO-XHSDSOJGSA-N 2 1 267.461 2.307 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185084848 279277976 /nfs/dbraw/zinc/27/79/76/279277976.db2.gz AJMHRDRDCUFKFI-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000131792434 279285520 /nfs/dbraw/zinc/28/55/20/279285520.db2.gz JMZCMVSGNFKJEV-CABCVRRESA-N 2 1 289.423 2.097 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000131792434 279285522 /nfs/dbraw/zinc/28/55/22/279285522.db2.gz JMZCMVSGNFKJEV-CABCVRRESA-N 2 1 289.423 2.097 20 0 CEADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000161994975 279874946 /nfs/dbraw/zinc/87/49/46/279874946.db2.gz WKURAWVEUVFEGS-HOTGVXAUSA-N 2 1 291.439 2.121 20 0 CEADMP C[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000178590647 280104335 /nfs/dbraw/zinc/10/43/35/280104335.db2.gz SQQSVOOCHFKQQN-HOTGVXAUSA-N 2 1 268.445 2.467 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000189201228 280145870 /nfs/dbraw/zinc/14/58/70/280145870.db2.gz HJEKSKWIHHBKRK-OAHLLOKOSA-N 2 1 277.412 2.244 20 0 CEADMP CCCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000222899762 280212109 /nfs/dbraw/zinc/21/21/09/280212109.db2.gz LOPJQHPWVAZMOR-GOEBONIOSA-N 3 1 267.461 2.323 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000235415904 280221423 /nfs/dbraw/zinc/22/14/23/280221423.db2.gz LWJIUOADMLHACD-INIZCTEOSA-N 2 1 255.365 2.406 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCOC)[C@@H](C)C1 ZINC000245437942 280240297 /nfs/dbraw/zinc/24/02/97/280240297.db2.gz RVBPXOVGMNIEHW-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCOC)[C@@H](C)C1 ZINC000245437942 280240302 /nfs/dbraw/zinc/24/03/02/280240302.db2.gz RVBPXOVGMNIEHW-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCOC)[C@@H](C)C1 ZINC000245437942 280240305 /nfs/dbraw/zinc/24/03/05/280240305.db2.gz RVBPXOVGMNIEHW-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP CCOC[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@@H](COCC)C2)C1 ZINC000246232791 280281841 /nfs/dbraw/zinc/28/18/41/280281841.db2.gz QLHUGTFDLXXQOI-IAGOWNOFSA-N 2 1 298.471 2.093 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000246256728 280283807 /nfs/dbraw/zinc/28/38/07/280283807.db2.gz KJTKKTLNHMKQKC-OWCLPIDISA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC000246989827 280317073 /nfs/dbraw/zinc/31/70/73/280317073.db2.gz JIXORHHSTGJCKF-RBGFHDKUSA-N 2 1 268.445 2.246 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247049827 280318848 /nfs/dbraw/zinc/31/88/48/280318848.db2.gz NFBGVWBILGMEQR-KLHDSHLOSA-N 2 1 267.461 2.037 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247049827 280318850 /nfs/dbraw/zinc/31/88/50/280318850.db2.gz NFBGVWBILGMEQR-KLHDSHLOSA-N 2 1 267.461 2.037 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247049827 280318851 /nfs/dbraw/zinc/31/88/51/280318851.db2.gz NFBGVWBILGMEQR-KLHDSHLOSA-N 2 1 267.461 2.037 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247049827 280318852 /nfs/dbraw/zinc/31/88/52/280318852.db2.gz NFBGVWBILGMEQR-KLHDSHLOSA-N 3 1 267.461 2.037 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247049827 280318856 /nfs/dbraw/zinc/31/88/56/280318856.db2.gz NFBGVWBILGMEQR-KLHDSHLOSA-N 3 1 267.461 2.037 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247049827 280318858 /nfs/dbraw/zinc/31/88/58/280318858.db2.gz NFBGVWBILGMEQR-KLHDSHLOSA-N 3 1 267.461 2.037 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247049827 280318859 /nfs/dbraw/zinc/31/88/59/280318859.db2.gz NFBGVWBILGMEQR-KLHDSHLOSA-N 3 1 267.461 2.037 20 0 CEADMP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247234974 280323810 /nfs/dbraw/zinc/32/38/10/280323810.db2.gz XFHXNNNZTRYHQZ-KFWWJZLASA-N 2 1 256.434 2.105 20 0 CEADMP C[C@H](c1cnccn1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000248622574 280355707 /nfs/dbraw/zinc/35/57/07/280355707.db2.gz NPZFWLNVFFODAL-ZIAGYGMSSA-N 2 1 262.401 2.344 20 0 CEADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422871306 280941910 /nfs/dbraw/zinc/94/19/10/280941910.db2.gz YPDAKYSUZTTYHV-CQSZACIVSA-N 2 1 292.423 2.108 20 0 CEADMP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422944105 280974074 /nfs/dbraw/zinc/97/40/74/280974074.db2.gz ROMFFCSYRDALPO-JKSUJKDBSA-N 2 1 289.423 2.186 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000422973072 280981044 /nfs/dbraw/zinc/98/10/44/280981044.db2.gz BDEPZSZIIAOSEU-XHSDSOJGSA-N 2 1 298.471 2.064 20 0 CEADMP COCCC(C)(C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423031440 281001863 /nfs/dbraw/zinc/00/18/63/281001863.db2.gz DINCOAMKTOLLOR-LLVKDONJSA-N 2 1 251.374 2.207 20 0 CEADMP C[C@@H]([NH2+]CCSCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423032251 281003148 /nfs/dbraw/zinc/00/31/48/281003148.db2.gz XZGNKDFMVOPLCN-BDAKNGLRSA-N 2 1 256.337 2.012 20 0 CEADMP C[C@@H](N[C@@H](C)C1C[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423043744 281006105 /nfs/dbraw/zinc/00/61/05/281006105.db2.gz PWAWABJFDYTQMZ-HLLBOEOZSA-N 3 1 287.451 2.095 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423043744 281006106 /nfs/dbraw/zinc/00/61/06/281006106.db2.gz PWAWABJFDYTQMZ-HLLBOEOZSA-N 3 1 287.451 2.095 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423043744 281006109 /nfs/dbraw/zinc/00/61/09/281006109.db2.gz PWAWABJFDYTQMZ-HLLBOEOZSA-N 3 1 287.451 2.095 20 0 CEADMP Cn1c(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])nc2cccc(Cl)c21 ZINC000423046350 281008102 /nfs/dbraw/zinc/00/81/02/281008102.db2.gz DIJWCSNLGZTQRM-CMPLNLGQSA-N 2 1 292.814 2.444 20 0 CEADMP C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCC[NH2+]1 ZINC000423050799 281010877 /nfs/dbraw/zinc/01/08/77/281010877.db2.gz ZJFSSYCTTPVPNN-LJIGWXMPSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@H](NC[C@@H]([NH3+])C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423330979 281024503 /nfs/dbraw/zinc/02/45/03/281024503.db2.gz UMYDGSGQQOMWLR-BMGDILEWSA-N 2 1 287.451 2.224 20 0 CEADMP CC[C@H]1CCCCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000135297420 281041549 /nfs/dbraw/zinc/04/15/49/281041549.db2.gz XEKRFVZVSMZARO-NSHDSACASA-N 2 1 266.389 2.418 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c(C)c1 ZINC000423511913 281056978 /nfs/dbraw/zinc/05/69/78/281056978.db2.gz KODBSDPKPZJHSX-LSDHHAIUSA-N 2 1 262.397 2.333 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(Cl)c1 ZINC000423511898 281057031 /nfs/dbraw/zinc/05/70/31/281057031.db2.gz KLQISCIUXCZMPH-BXUZGUMPSA-N 2 1 268.788 2.369 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000346838134 281245908 /nfs/dbraw/zinc/24/59/08/281245908.db2.gz QMQUWTUKXQIXOK-HOTGVXAUSA-N 2 1 288.439 2.123 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000346838134 281245910 /nfs/dbraw/zinc/24/59/10/281245910.db2.gz QMQUWTUKXQIXOK-HOTGVXAUSA-N 3 1 288.439 2.123 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000346838134 281245912 /nfs/dbraw/zinc/24/59/12/281245912.db2.gz QMQUWTUKXQIXOK-HOTGVXAUSA-N 3 1 288.439 2.123 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000430620932 281270446 /nfs/dbraw/zinc/27/04/46/281270446.db2.gz IOYLGQBHNLPOEJ-QGZVFWFLSA-N 2 1 276.424 2.307 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430620682 281270517 /nfs/dbraw/zinc/27/05/17/281270517.db2.gz CNRGCTPTRYWLKN-GFCCVEGCSA-N 2 1 295.814 2.339 20 0 CEADMP CC(C)c1noc([C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000431040339 281287908 /nfs/dbraw/zinc/28/79/08/281287908.db2.gz WHYUVDKXAZVMEK-GFCCVEGCSA-N 2 1 278.400 2.330 20 0 CEADMP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431511048 281306793 /nfs/dbraw/zinc/30/67/93/281306793.db2.gz WMCVIBGKPIRTPY-HNNXBMFYSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)C[NH+]1CCCC1 ZINC000431727884 281315092 /nfs/dbraw/zinc/31/50/92/281315092.db2.gz LWEDRMAWKBDQDO-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431739652 281316155 /nfs/dbraw/zinc/31/61/55/281316155.db2.gz DLAXQBAVVXDPRY-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1CCCC[NH+]1CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431739652 281316157 /nfs/dbraw/zinc/31/61/57/281316157.db2.gz DLAXQBAVVXDPRY-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1CCCC[NH+]1CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431739652 281316160 /nfs/dbraw/zinc/31/61/60/281316160.db2.gz DLAXQBAVVXDPRY-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC000432817632 281342773 /nfs/dbraw/zinc/34/27/73/281342773.db2.gz BCUMDVSIJAWUQG-KRWDZBQOSA-N 2 1 298.471 2.236 20 0 CEADMP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])c2cc(N)ccc2O1 ZINC000332066076 281360522 /nfs/dbraw/zinc/36/05/22/281360522.db2.gz SBMBLJGYOGBLMZ-RDBSUJKOSA-N 2 1 275.396 2.340 20 0 CEADMP CCCn1cc(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000435378704 281385933 /nfs/dbraw/zinc/38/59/33/281385933.db2.gz FUBAAXAKLVSVGX-OAHLLOKOSA-N 2 1 264.417 2.257 20 0 CEADMP CCCn1cc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000435378704 281385937 /nfs/dbraw/zinc/38/59/37/281385937.db2.gz FUBAAXAKLVSVGX-OAHLLOKOSA-N 2 1 264.417 2.257 20 0 CEADMP CC[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435381802 281386627 /nfs/dbraw/zinc/38/66/27/281386627.db2.gz VTEMYJHALPZESI-HNNXBMFYSA-N 2 1 264.417 2.428 20 0 CEADMP CC[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435381802 281386631 /nfs/dbraw/zinc/38/66/31/281386631.db2.gz VTEMYJHALPZESI-HNNXBMFYSA-N 2 1 264.417 2.428 20 0 CEADMP C[N@@H+](Cc1cccc(-n2cccn2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435445737 281390253 /nfs/dbraw/zinc/39/02/53/281390253.db2.gz GZIXOXZAOAULQT-INIZCTEOSA-N 2 1 284.407 2.446 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@H]3CCOC3)C1)CCCC2 ZINC000336629111 282021011 /nfs/dbraw/zinc/02/10/11/282021011.db2.gz XGLHYDJXLWXOQB-KGLIPLIRSA-N 2 1 275.396 2.106 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@H]3CCOC3)C1)CCCC2 ZINC000336629111 282021012 /nfs/dbraw/zinc/02/10/12/282021012.db2.gz XGLHYDJXLWXOQB-KGLIPLIRSA-N 2 1 275.396 2.106 20 0 CEADMP CC(C)CCCC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000448977536 282055109 /nfs/dbraw/zinc/05/51/09/282055109.db2.gz SWLQLMRCVRPWMG-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP CC(C)CCCC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000448977536 282055113 /nfs/dbraw/zinc/05/51/13/282055113.db2.gz SWLQLMRCVRPWMG-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP Cc1[nH+]c2ccccc2c(N2CC[N@@H+](CCO)[C@H](C)C2)c1C ZINC000302488986 282073117 /nfs/dbraw/zinc/07/31/17/282073117.db2.gz ZDPVINDYRVGVPT-CYBMUJFWSA-N 2 1 299.418 2.354 20 0 CEADMP COCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000337386525 292716827 /nfs/dbraw/zinc/71/68/27/292716827.db2.gz ICOXNQBVHMFDSY-CJNGLKHVSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2c(C)noc2C)[C@H](C)C1 ZINC000153926001 289127771 /nfs/dbraw/zinc/12/77/71/289127771.db2.gz IELAFRPPYXOTEN-QMTHXVAHSA-N 2 1 251.374 2.111 20 0 CEADMP CC[C@H](C)[C@@H](C)[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000154455122 289145927 /nfs/dbraw/zinc/14/59/27/289145927.db2.gz AXBQQWIRQSHUIR-JKSUJKDBSA-N 2 1 269.477 2.428 20 0 CEADMP C[C@@H]1C[C@@H](NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1C ZINC000156578426 289198671 /nfs/dbraw/zinc/19/86/71/289198671.db2.gz GLUFWAWWZJRJKK-HIFRSBDPSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc([S@](C)=O)cc1 ZINC000158201844 289229506 /nfs/dbraw/zinc/22/95/06/289229506.db2.gz IYOSRINRAYAYQK-PJSUUKDQSA-N 2 1 294.464 2.416 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000401642237 289288413 /nfs/dbraw/zinc/28/84/13/289288413.db2.gz IOHSCJCCGABGDG-UHFFFAOYSA-N 2 1 284.407 2.221 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1nc2ccccc2n1C ZINC000401777276 289288484 /nfs/dbraw/zinc/28/84/84/289288484.db2.gz NWNFYUDNQKHVGM-GFCCVEGCSA-N 2 1 283.379 2.200 20 0 CEADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)C1(C)C ZINC000401846051 289288966 /nfs/dbraw/zinc/28/89/66/289288966.db2.gz QLLKMGMQQKNAGP-HUUCEWRRSA-N 2 1 279.428 2.392 20 0 CEADMP CN(Cc1cnc(C2CC2)nc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000459300369 290108964 /nfs/dbraw/zinc/10/89/64/290108964.db2.gz JWQDQEOYCYDPCB-ZDUSSCGKSA-N 2 1 274.412 2.128 20 0 CEADMP Cn1c[nH+]cc1CCN1CCO[C@@H](c2ccccc2F)C1 ZINC000459321314 290116290 /nfs/dbraw/zinc/11/62/90/290116290.db2.gz GJRFORCZTKHDCN-MRXNPFEDSA-N 2 1 289.354 2.175 20 0 CEADMP COCc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)no1 ZINC000459383299 290133120 /nfs/dbraw/zinc/13/31/20/290133120.db2.gz XKGCDGSQIPSVOG-AWEZNQCLSA-N 2 1 295.427 2.423 20 0 CEADMP COCc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)no1 ZINC000459383299 290133122 /nfs/dbraw/zinc/13/31/22/290133122.db2.gz XKGCDGSQIPSVOG-AWEZNQCLSA-N 2 1 295.427 2.423 20 0 CEADMP CCn1nncc1C[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000459413533 290140693 /nfs/dbraw/zinc/14/06/93/290140693.db2.gz UCWXZWQHZKQOHT-GOEBONIOSA-N 2 1 293.459 2.288 20 0 CEADMP Cn1cncc1CC[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459561183 290179857 /nfs/dbraw/zinc/17/98/57/290179857.db2.gz MULHVLMQHVMUHK-INIZCTEOSA-N 2 1 293.411 2.016 20 0 CEADMP C(C[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21)C[NH+]1CCCCC1 ZINC000459761379 290231156 /nfs/dbraw/zinc/23/11/56/290231156.db2.gz JVGFRSOGVMHPHP-JKSUJKDBSA-N 2 1 278.440 2.363 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000459776073 290236049 /nfs/dbraw/zinc/23/60/49/290236049.db2.gz KAQIEUDBLOUSAY-UPJWGTAASA-N 2 1 294.361 2.418 20 0 CEADMP CC(C)OC1CC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459787673 290240207 /nfs/dbraw/zinc/24/02/07/290240207.db2.gz PSJTZUPWFZLOEM-NFOMZHRRSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000459797416 290243762 /nfs/dbraw/zinc/24/37/62/290243762.db2.gz WPZQALBSTVYKHW-GFCCVEGCSA-N 2 1 266.360 2.353 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC2(C)C)CC1 ZINC000486953600 290323354 /nfs/dbraw/zinc/32/33/54/290323354.db2.gz FSMTVVNFINHFQQ-OCCSQVGLSA-N 2 1 254.418 2.121 20 0 CEADMP [NH3+]CCC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000359309771 295229501 /nfs/dbraw/zinc/22/95/01/295229501.db2.gz PVCZMSQREOQBAZ-UHFFFAOYSA-N 3 1 275.440 2.227 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CC(N)=O)cc1 ZINC000166671301 297465311 /nfs/dbraw/zinc/46/53/11/297465311.db2.gz WHSVPPIYEQELMI-NWDGAFQWSA-N 2 1 286.379 2.095 20 0 CEADMP Cc1cccc2c1cc[nH+]c2NCC[C@@H]1CC[NH2+]C1 ZINC000517235908 297617808 /nfs/dbraw/zinc/61/78/08/297617808.db2.gz ADPKCDJQDRTAQF-ZDUSSCGKSA-N 2 1 255.365 2.377 20 0 CEADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178433 298045652 /nfs/dbraw/zinc/04/56/52/298045652.db2.gz LCZFBUWKLSVPGK-CZUORRHYSA-N 2 1 272.392 2.427 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H](Cc2ccc(F)cc2)OC)CC[C@@H]1[NH3+] ZINC000530217956 298053816 /nfs/dbraw/zinc/05/38/16/298053816.db2.gz JNZVPTQOHKEKAE-PVAVHDDUSA-N 2 1 294.414 2.442 20 0 CEADMP Cc1ncccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000530220205 298054988 /nfs/dbraw/zinc/05/49/88/298054988.db2.gz MGOIKLXHYIBJKW-DYVFJYSZSA-N 2 1 269.392 2.438 20 0 CEADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000530354819 298065466 /nfs/dbraw/zinc/06/54/66/298065466.db2.gz IQOKLBGXXGHGNX-WBMJQRKESA-N 2 1 255.365 2.486 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531708894 298116839 /nfs/dbraw/zinc/11/68/39/298116839.db2.gz QMFLZJRRBXVXPO-LBPRGKRZSA-N 2 1 298.390 2.427 20 0 CEADMP CC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000532228670 298136514 /nfs/dbraw/zinc/13/65/14/298136514.db2.gz JRFGCNIQEGVDOK-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000532225864 298136522 /nfs/dbraw/zinc/13/65/22/298136522.db2.gz IHHCPOJUDCBXMS-OWCLPIDISA-N 2 1 268.445 2.392 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000532441993 298144548 /nfs/dbraw/zinc/14/45/48/298144548.db2.gz VMLCLKNLBBUOAO-HIFRSBDPSA-N 2 1 293.480 2.425 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccno2)CC1 ZINC000535043260 298181811 /nfs/dbraw/zinc/18/18/11/298181811.db2.gz DZTPDSOGWJEHIT-UHFFFAOYSA-N 2 1 295.427 2.245 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000537679384 298217001 /nfs/dbraw/zinc/21/70/01/298217001.db2.gz ONBMLRBJQWNAPS-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H](O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000539060611 298244185 /nfs/dbraw/zinc/24/41/85/298244185.db2.gz VBBSBODXCNYQFY-UXLLHSPISA-N 2 1 276.424 2.400 20 0 CEADMP C[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000539060611 298244188 /nfs/dbraw/zinc/24/41/88/298244188.db2.gz VBBSBODXCNYQFY-UXLLHSPISA-N 2 1 276.424 2.400 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000547277136 298359905 /nfs/dbraw/zinc/35/99/05/298359905.db2.gz UCXXIDGKWHHMKX-IAGOWNOFSA-N 2 1 274.408 2.184 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000547277136 298359907 /nfs/dbraw/zinc/35/99/07/298359907.db2.gz UCXXIDGKWHHMKX-IAGOWNOFSA-N 2 1 274.408 2.184 20 0 CEADMP C[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cc1 ZINC000566561860 299002642 /nfs/dbraw/zinc/00/26/42/299002642.db2.gz TXSAUSTVMSRYBW-VHDGCEQUSA-N 2 1 262.372 2.471 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccco2)c2ccccc21 ZINC000566672529 299013472 /nfs/dbraw/zinc/01/34/72/299013472.db2.gz BYXDFIBUKOEHKG-JCURWCKSSA-N 2 1 286.375 2.165 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1ccccc1OCc1ccccn1 ZINC000567269781 299048002 /nfs/dbraw/zinc/04/80/02/299048002.db2.gz WQYIMIBDJHLRQU-UHFFFAOYSA-N 2 1 285.391 2.441 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1ccccc1OCc1ccccn1 ZINC000567269781 299048005 /nfs/dbraw/zinc/04/80/05/299048005.db2.gz WQYIMIBDJHLRQU-UHFFFAOYSA-N 2 1 285.391 2.441 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nccn2CCc2ccccc2)C1 ZINC000567291234 299049730 /nfs/dbraw/zinc/04/97/30/299049730.db2.gz VBAFUOHNFAFQQE-IAGOWNOFSA-N 2 1 298.434 2.485 20 0 CEADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527804193 313204471 /nfs/dbraw/zinc/20/44/71/313204471.db2.gz NNTPVSFHAMBHTK-JRULLXGZSA-N 2 1 252.402 2.015 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530179760 313280547 /nfs/dbraw/zinc/28/05/47/313280547.db2.gz WWOQBNSNTMYTSQ-NJAFHUGGSA-N 2 1 299.462 2.381 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1cc(CO)ccc1F)CC[NH2+]CC2 ZINC000530224865 313285150 /nfs/dbraw/zinc/28/51/50/313285150.db2.gz MZINHEBUWJHYHX-ZDUSSCGKSA-N 2 1 292.398 2.282 20 0 CEADMP Cc1nc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000530243653 313288206 /nfs/dbraw/zinc/28/82/06/313288206.db2.gz YPPKYQDEUBGKEU-HNNXBMFYSA-N 2 1 295.452 2.042 20 0 CEADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cscn1 ZINC000534329190 313381093 /nfs/dbraw/zinc/38/10/93/313381093.db2.gz JLHGDCSBWDYHID-ZDUSSCGKSA-N 2 1 296.484 2.067 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000573383062 314154598 /nfs/dbraw/zinc/15/45/98/314154598.db2.gz GIBXHBIWEAKURA-WCQYABFASA-N 2 1 295.814 2.480 20 0 CEADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000573912474 314181324 /nfs/dbraw/zinc/18/13/24/314181324.db2.gz VOEOSKNNFKJKPN-UONOGXRCSA-N 2 1 266.429 2.313 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000573931586 314184884 /nfs/dbraw/zinc/18/48/84/314184884.db2.gz YJINWZOCQUOWFS-SOUVJXGZSA-N 2 1 270.461 2.446 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000573931586 314184886 /nfs/dbraw/zinc/18/48/86/314184886.db2.gz YJINWZOCQUOWFS-SOUVJXGZSA-N 2 1 270.461 2.446 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000573931586 314184889 /nfs/dbraw/zinc/18/48/89/314184889.db2.gz YJINWZOCQUOWFS-SOUVJXGZSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000573931586 314184891 /nfs/dbraw/zinc/18/48/91/314184891.db2.gz YJINWZOCQUOWFS-SOUVJXGZSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000573931586 314184893 /nfs/dbraw/zinc/18/48/93/314184893.db2.gz YJINWZOCQUOWFS-SOUVJXGZSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+]1CCC(C[NH2+]Cc2nn(C)c(C)c2Cl)CC1 ZINC000573949390 314186559 /nfs/dbraw/zinc/18/65/59/314186559.db2.gz AKSABQLNXCQVBO-UHFFFAOYSA-N 2 1 284.835 2.203 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC12CCCCC2 ZINC000576289013 314261070 /nfs/dbraw/zinc/26/10/70/314261070.db2.gz PDXMOGPFLLVQPV-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC12CCCCC2 ZINC000576289013 314261074 /nfs/dbraw/zinc/26/10/74/314261074.db2.gz PDXMOGPFLLVQPV-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC12CCCCC2 ZINC000576289013 314261076 /nfs/dbraw/zinc/26/10/76/314261076.db2.gz PDXMOGPFLLVQPV-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC12CCCCC2 ZINC000576289013 314261080 /nfs/dbraw/zinc/26/10/80/314261080.db2.gz PDXMOGPFLLVQPV-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccccn1 ZINC000576475896 314280377 /nfs/dbraw/zinc/28/03/77/314280377.db2.gz PGXFAPQAWGSUAP-UHFFFAOYSA-N 2 1 258.369 2.270 20 0 CEADMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccn1 ZINC000576475896 314280379 /nfs/dbraw/zinc/28/03/79/314280379.db2.gz PGXFAPQAWGSUAP-UHFFFAOYSA-N 2 1 258.369 2.270 20 0 CEADMP Cn1ccnc1[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000576594165 314292374 /nfs/dbraw/zinc/29/23/74/314292374.db2.gz LURATPHKFMKNKR-GJZGRUSLSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1ccnc1[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000576594165 314292377 /nfs/dbraw/zinc/29/23/77/314292377.db2.gz LURATPHKFMKNKR-GJZGRUSLSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1ccnc1[C@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000576594165 314292380 /nfs/dbraw/zinc/29/23/80/314292380.db2.gz LURATPHKFMKNKR-GJZGRUSLSA-N 2 1 276.428 2.084 20 0 CEADMP CCCN(CC[NH+](CC)CC)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000576715342 314304436 /nfs/dbraw/zinc/30/44/36/314304436.db2.gz KQZJVMLNCAUDFS-AWEZNQCLSA-N 2 1 294.443 2.169 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000577363294 314368089 /nfs/dbraw/zinc/36/80/89/314368089.db2.gz SVBPFIBPZDRZKS-WMLDXEAASA-N 2 1 299.422 2.183 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cnccn3)C2)[nH+]1 ZINC000580404964 322315530 /nfs/dbraw/zinc/31/55/30/322315530.db2.gz MOBUJVRHOYLUFE-AWEZNQCLSA-N 2 1 283.379 2.114 20 0 CEADMP COc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000580639979 322331826 /nfs/dbraw/zinc/33/18/26/322331826.db2.gz ZVPOBYLNFAKSID-ZYHUDNBSSA-N 2 1 283.803 2.221 20 0 CEADMP CC(C)[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000581199953 322378050 /nfs/dbraw/zinc/37/80/50/322378050.db2.gz BCYFMJCTVXKLJZ-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000582073181 322445689 /nfs/dbraw/zinc/44/56/89/322445689.db2.gz VYHVATCPJXAOOG-STQMWFEESA-N 2 1 262.401 2.168 20 0 CEADMP Cc1[nH+]cc(CNc2cccc(OCC[NH+](C)C)c2)n1C ZINC000582132877 322450171 /nfs/dbraw/zinc/45/01/71/322450171.db2.gz AZJJQZZFCSOCDS-UHFFFAOYSA-N 2 1 288.395 2.281 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000396417678 329320115 /nfs/dbraw/zinc/32/01/15/329320115.db2.gz MRRBSPFJTUJJNW-PNESKVBLSA-N 2 1 294.361 2.154 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NCC(C)C)CC1 ZINC000052208351 520401397 /nfs/dbraw/zinc/40/13/97/520401397.db2.gz UXLMWJBCPQVMGH-UHFFFAOYSA-N 2 1 297.487 2.203 20 0 CEADMP CC1(C)COCC[NH+]1CCCCC[N@@H+]1CCOCC1(C)C ZINC000157627128 520501860 /nfs/dbraw/zinc/50/18/60/520501860.db2.gz ILWACHKVIFRJTQ-UHFFFAOYSA-N 2 1 298.471 2.378 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000363443868 522939372 /nfs/dbraw/zinc/93/93/72/522939372.db2.gz ZWJVGJQBFFGXID-TUVASFSCSA-N 2 1 266.429 2.216 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000363443868 522939377 /nfs/dbraw/zinc/93/93/77/522939377.db2.gz ZWJVGJQBFFGXID-TUVASFSCSA-N 2 1 266.429 2.216 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000363443868 522939384 /nfs/dbraw/zinc/93/93/84/522939384.db2.gz ZWJVGJQBFFGXID-TUVASFSCSA-N 2 1 266.429 2.216 20 0 CEADMP CO[C@H](C)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000363698457 523878955 /nfs/dbraw/zinc/87/89/55/523878955.db2.gz JEVYIUHUBJTPEE-CQSZACIVSA-N 2 1 277.412 2.265 20 0 CEADMP C[NH+](C)C1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000053932658 524040417 /nfs/dbraw/zinc/04/04/17/524040417.db2.gz SISHQWBAJKAHET-MRXNPFEDSA-N 2 1 262.397 2.136 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1F ZINC000049554419 524074047 /nfs/dbraw/zinc/07/40/47/524074047.db2.gz FEMNOKUUKJCTTD-NSHDSACASA-N 2 1 254.349 2.264 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000372420443 525383312 /nfs/dbraw/zinc/38/33/12/525383312.db2.gz HHNJZVXEZVDWQR-XHSDSOJGSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1C[C@H](NCC[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000157406116 525437969 /nfs/dbraw/zinc/43/79/69/525437969.db2.gz VWZKZXINANFUKL-HUUCEWRRSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1C[C@H](NCC[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000157406116 525437972 /nfs/dbraw/zinc/43/79/72/525437972.db2.gz VWZKZXINANFUKL-HUUCEWRRSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1C[C@H](NCC[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000157406116 525437974 /nfs/dbraw/zinc/43/79/74/525437974.db2.gz VWZKZXINANFUKL-HUUCEWRRSA-N 2 1 267.461 2.323 20 0 CEADMP Cc1cc2ncc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)c(C)n2n1 ZINC000049553700 525684255 /nfs/dbraw/zinc/68/42/55/525684255.db2.gz DYMTZWZIFRSSLH-YPMHNXCESA-N 2 1 289.427 2.337 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)s1 ZINC000049182965 525925931 /nfs/dbraw/zinc/92/59/31/525925931.db2.gz MPOMKUHVOVGHGL-STQMWFEESA-N 2 1 268.426 2.164 20 0 CEADMP C[NH2+]CC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000237302581 536442078 /nfs/dbraw/zinc/44/20/78/536442078.db2.gz JUQRXFBAGGWEDD-UHFFFAOYSA-N 2 1 286.379 2.213 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC(F)(F)F)[C@H](C)C1 ZINC000175719047 527832859 /nfs/dbraw/zinc/83/28/59/527832859.db2.gz DQSLUKMCHQTCHH-NEPJUHHUSA-N 2 1 282.350 2.227 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC(F)(F)F)[C@H](C)C1 ZINC000175719047 527832862 /nfs/dbraw/zinc/83/28/62/527832862.db2.gz DQSLUKMCHQTCHH-NEPJUHHUSA-N 2 1 282.350 2.227 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC(F)(F)F)[C@H](C)C1 ZINC000175719047 527832866 /nfs/dbraw/zinc/83/28/66/527832866.db2.gz DQSLUKMCHQTCHH-NEPJUHHUSA-N 2 1 282.350 2.227 20 0 CEADMP CC[N@H+]1CC[C@H](NCC(C)(C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000357856764 527879164 /nfs/dbraw/zinc/87/91/64/527879164.db2.gz UKYQLBYDBFAULS-CVEARBPZSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000357856764 527879174 /nfs/dbraw/zinc/87/91/74/527879174.db2.gz UKYQLBYDBFAULS-CVEARBPZSA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000357856764 527879178 /nfs/dbraw/zinc/87/91/78/527879178.db2.gz UKYQLBYDBFAULS-CVEARBPZSA-N 3 1 281.488 2.428 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC000357331262 528146099 /nfs/dbraw/zinc/14/60/99/528146099.db2.gz IOPZJJAWQRZPDG-CQSZACIVSA-N 2 1 297.468 2.384 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC000357331262 528146104 /nfs/dbraw/zinc/14/61/04/528146104.db2.gz IOPZJJAWQRZPDG-CQSZACIVSA-N 2 1 297.468 2.384 20 0 CEADMP CCCCN1CCC([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000415082198 528463127 /nfs/dbraw/zinc/46/31/27/528463127.db2.gz LNYXIWFVAZOZEG-CABCVRRESA-N 2 1 267.461 2.229 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000357148983 528567639 /nfs/dbraw/zinc/56/76/39/528567639.db2.gz OTHDNQXQJXZPQQ-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000357383569 528925343 /nfs/dbraw/zinc/92/53/43/528925343.db2.gz DALXIUCKKQFLIT-BZUAXINKSA-N 2 1 295.471 2.096 20 0 CEADMP CCC([NH3+])(CC)CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000417538444 528933587 /nfs/dbraw/zinc/93/35/87/528933587.db2.gz UGIHJAYDHCYNSP-OKILXGFUSA-N 2 1 298.475 2.066 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417915761 529025038 /nfs/dbraw/zinc/02/50/38/529025038.db2.gz VAVCYMXIPZVDCR-ZIAGYGMSSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(O)cc3)CC[C@H]21 ZINC000228120448 538802664 /nfs/dbraw/zinc/80/26/64/538802664.db2.gz VAKUSYHNCIUERU-GOEBONIOSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(O)cc3)CC[C@H]21 ZINC000228120448 538802669 /nfs/dbraw/zinc/80/26/69/538802669.db2.gz VAKUSYHNCIUERU-GOEBONIOSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(O)cc3)CC[C@H]21 ZINC000228120448 538802674 /nfs/dbraw/zinc/80/26/74/538802674.db2.gz VAKUSYHNCIUERU-GOEBONIOSA-N 2 1 260.381 2.308 20 0 CEADMP C([NH2+][C@H]1CC[C@@H]1C1CC1)C1([NH+]2CCCC2)CCOCC1 ZINC000348110482 538851953 /nfs/dbraw/zinc/85/19/53/538851953.db2.gz MUAHNWJREHKVTC-CVEARBPZSA-N 2 1 278.440 2.410 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000762925896 574581010 /nfs/dbraw/zinc/58/10/10/574581010.db2.gz IPOQDLMNWKIZSV-NSHDSACASA-N 2 1 261.291 2.466 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000762925896 574581013 /nfs/dbraw/zinc/58/10/13/574581013.db2.gz IPOQDLMNWKIZSV-NSHDSACASA-N 2 1 261.291 2.466 20 0 CEADMP CCC/C(C)=C\C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732779582 574629849 /nfs/dbraw/zinc/62/98/49/574629849.db2.gz XSIJCNNDEMVMDZ-IKESIWSLSA-N 2 1 293.455 2.018 20 0 CEADMP CCC/C(C)=C\C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732779582 574629851 /nfs/dbraw/zinc/62/98/51/574629851.db2.gz XSIJCNNDEMVMDZ-IKESIWSLSA-N 2 1 293.455 2.018 20 0 CEADMP CCCOC(=O)[C@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000741782927 574997838 /nfs/dbraw/zinc/99/78/38/574997838.db2.gz OLYKIYUPTBXNPH-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC)C1 ZINC000742910692 575037418 /nfs/dbraw/zinc/03/74/18/575037418.db2.gz JKQMTWKXFJBGPF-INIZCTEOSA-N 2 1 297.487 2.299 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000742910692 575037420 /nfs/dbraw/zinc/03/74/20/575037420.db2.gz JKQMTWKXFJBGPF-INIZCTEOSA-N 2 1 297.487 2.299 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000742910692 575037423 /nfs/dbraw/zinc/03/74/23/575037423.db2.gz JKQMTWKXFJBGPF-INIZCTEOSA-N 2 1 297.487 2.299 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCCCCCC1 ZINC000748982682 575202280 /nfs/dbraw/zinc/20/22/80/575202280.db2.gz NSSRQBPRYCSSTL-INIZCTEOSA-N 2 1 268.445 2.488 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCCCCCC1 ZINC000748982682 575202281 /nfs/dbraw/zinc/20/22/81/575202281.db2.gz NSSRQBPRYCSSTL-INIZCTEOSA-N 2 1 268.445 2.488 20 0 CEADMP CCC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000753731543 575337957 /nfs/dbraw/zinc/33/79/57/575337957.db2.gz GMZPMHZUJVCECN-AWEZNQCLSA-N 2 1 252.402 2.019 20 0 CEADMP CCC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000753731543 575337958 /nfs/dbraw/zinc/33/79/58/575337958.db2.gz GMZPMHZUJVCECN-AWEZNQCLSA-N 2 1 252.402 2.019 20 0 CEADMP CCC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000753731543 575337959 /nfs/dbraw/zinc/33/79/59/575337959.db2.gz GMZPMHZUJVCECN-AWEZNQCLSA-N 2 1 252.402 2.019 20 0 CEADMP CCC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000753731543 575337960 /nfs/dbraw/zinc/33/79/60/575337960.db2.gz GMZPMHZUJVCECN-AWEZNQCLSA-N 2 1 252.402 2.019 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000971842992 614548231 /nfs/dbraw/zinc/54/82/31/614548231.db2.gz FFDSOMUVVHBKLB-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000971842992 614548233 /nfs/dbraw/zinc/54/82/33/614548233.db2.gz FFDSOMUVVHBKLB-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000971842992 614548236 /nfs/dbraw/zinc/54/82/36/614548236.db2.gz FFDSOMUVVHBKLB-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980840341 614556522 /nfs/dbraw/zinc/55/65/22/614556522.db2.gz YFTYLKRVVFUODG-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC(CC)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000980840341 614556523 /nfs/dbraw/zinc/55/65/23/614556523.db2.gz YFTYLKRVVFUODG-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC(CC)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000980840341 614556526 /nfs/dbraw/zinc/55/65/26/614556526.db2.gz YFTYLKRVVFUODG-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000957279113 614593188 /nfs/dbraw/zinc/59/31/88/614593188.db2.gz RQGHTFJMVZEFGP-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](C(C)C)C1 ZINC000957279668 614623676 /nfs/dbraw/zinc/62/36/76/614623676.db2.gz ZIGJBHHHZUDRMU-HUUCEWRRSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968863910 614632432 /nfs/dbraw/zinc/63/24/32/614632432.db2.gz MNXSKXSDWGNRRO-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968863910 614632434 /nfs/dbraw/zinc/63/24/34/614632434.db2.gz MNXSKXSDWGNRRO-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968863910 614632436 /nfs/dbraw/zinc/63/24/36/614632436.db2.gz MNXSKXSDWGNRRO-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC000972156553 614649775 /nfs/dbraw/zinc/64/97/75/614649775.db2.gz NWFBJFZARASEME-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000972156553 614649777 /nfs/dbraw/zinc/64/97/77/614649777.db2.gz NWFBJFZARASEME-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972156553 614649778 /nfs/dbraw/zinc/64/97/78/614649778.db2.gz NWFBJFZARASEME-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842711 614717324 /nfs/dbraw/zinc/71/73/24/614717324.db2.gz NDGDQYPLEISDSU-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842711 614717326 /nfs/dbraw/zinc/71/73/26/614717326.db2.gz NDGDQYPLEISDSU-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842711 614717328 /nfs/dbraw/zinc/71/73/28/614717328.db2.gz NDGDQYPLEISDSU-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCC)CC1(C)C ZINC000974652631 614809139 /nfs/dbraw/zinc/80/91/39/614809139.db2.gz FORNSXJUXYHNEQ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974652631 614809140 /nfs/dbraw/zinc/80/91/40/614809140.db2.gz FORNSXJUXYHNEQ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974652631 614809143 /nfs/dbraw/zinc/80/91/43/614809143.db2.gz FORNSXJUXYHNEQ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000960913144 614873227 /nfs/dbraw/zinc/87/32/27/614873227.db2.gz GDVOSRMIGJOZEU-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000969144384 614978766 /nfs/dbraw/zinc/97/87/66/614978766.db2.gz KTBCMWDCKNCVQJ-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000969144384 614978767 /nfs/dbraw/zinc/97/87/67/614978767.db2.gz KTBCMWDCKNCVQJ-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969144384 614978770 /nfs/dbraw/zinc/97/87/70/614978770.db2.gz KTBCMWDCKNCVQJ-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNc1nccn2cncc12 ZINC000892459962 625520254 /nfs/dbraw/zinc/52/02/54/625520254.db2.gz IKWXNWKWXZXRGB-LBPRGKRZSA-N 2 1 259.357 2.016 20 0 CEADMP CCn1cc(C[NH2+]CCC[NH+]2CCCCC2)c(C)n1 ZINC000892462911 625528128 /nfs/dbraw/zinc/52/81/28/625528128.db2.gz UPGBPEFFGIQZRG-UHFFFAOYSA-N 2 1 264.417 2.177 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCC ZINC001024468611 625568631 /nfs/dbraw/zinc/56/86/31/625568631.db2.gz LMRFLWAIIQLLIN-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC ZINC001024468611 625568638 /nfs/dbraw/zinc/56/86/38/625568638.db2.gz LMRFLWAIIQLLIN-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC ZINC001024468611 625568642 /nfs/dbraw/zinc/56/86/42/625568642.db2.gz LMRFLWAIIQLLIN-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001020675682 622823755 /nfs/dbraw/zinc/82/37/55/622823755.db2.gz ATRAPAOZEPDVIV-JYJNAYRXSA-N 2 1 295.471 2.142 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000121868320 623139840 /nfs/dbraw/zinc/13/98/40/623139840.db2.gz YTMDZRXIEJDGRM-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000846836332 623442546 /nfs/dbraw/zinc/44/25/46/623442546.db2.gz CYAYGPJSMKECFR-SNVBAGLBSA-N 2 1 261.291 2.237 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000846836332 623442550 /nfs/dbraw/zinc/44/25/50/623442550.db2.gz CYAYGPJSMKECFR-SNVBAGLBSA-N 2 1 261.291 2.237 20 0 CEADMP CC[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCCO1 ZINC000123924825 623551964 /nfs/dbraw/zinc/55/19/64/623551964.db2.gz LGNZJVRBLYAVMI-MRXNPFEDSA-N 2 1 274.408 2.333 20 0 CEADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCCCO1 ZINC000123923502 623552266 /nfs/dbraw/zinc/55/22/66/623552266.db2.gz XAXPOJWNPJGZRB-MRXNPFEDSA-N 2 1 274.408 2.333 20 0 CEADMP CN(CCCCCC[NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000891519231 623759463 /nfs/dbraw/zinc/75/94/63/623759463.db2.gz YZBRZDIVLXOBGW-UHFFFAOYSA-N 2 1 298.475 2.021 20 0 CEADMP C[N@@H+](CCCNc1cc[nH+]cc1CO)C1CCCCC1 ZINC000891700057 623911844 /nfs/dbraw/zinc/91/18/44/623911844.db2.gz HRLHAXRGKSNMNZ-UHFFFAOYSA-N 2 1 277.412 2.062 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CCCO1 ZINC000926287860 624080527 /nfs/dbraw/zinc/08/05/27/624080527.db2.gz QOZPDVQPDIIOQS-MWDXBVQZSA-N 2 1 278.440 2.432 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CCCO1 ZINC000926287860 624080529 /nfs/dbraw/zinc/08/05/29/624080529.db2.gz QOZPDVQPDIIOQS-MWDXBVQZSA-N 2 1 278.440 2.432 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1(C[NH3+])CCCCC1 ZINC000891909830 624091091 /nfs/dbraw/zinc/09/10/91/624091091.db2.gz MNIQDPVJZCELCP-CQSZACIVSA-N 2 1 298.475 2.068 20 0 CEADMP C[N@H+](Cc1cnn(CC2CCC2)c1)CC1CC[NH+](C)CC1 ZINC000891934242 624112921 /nfs/dbraw/zinc/11/29/21/624112921.db2.gz RWWYAOXFMAJTPJ-UHFFFAOYSA-N 2 1 290.455 2.457 20 0 CEADMP C[N@H+](Cc1cn2ccnc2s1)CC1CC[NH+](C)CC1 ZINC000891933312 624115022 /nfs/dbraw/zinc/11/50/22/624115022.db2.gz FZLINMVHTVZSTO-UHFFFAOYSA-N 2 1 278.425 2.169 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(C)C)C2)C1 ZINC001022584594 624275765 /nfs/dbraw/zinc/27/57/65/624275765.db2.gz DBTJNLLCFCTDNN-HRCADAONSA-N 2 1 295.471 2.001 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000892230016 624440395 /nfs/dbraw/zinc/44/03/95/624440395.db2.gz VGOQROPXENQCJG-TZMCWYRMSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000892230016 624440396 /nfs/dbraw/zinc/44/03/96/624440396.db2.gz VGOQROPXENQCJG-TZMCWYRMSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)o1 ZINC000892230016 624440398 /nfs/dbraw/zinc/44/03/98/624440398.db2.gz VGOQROPXENQCJG-TZMCWYRMSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)o1 ZINC000892230016 624440399 /nfs/dbraw/zinc/44/03/99/624440399.db2.gz VGOQROPXENQCJG-TZMCWYRMSA-N 2 1 264.369 2.204 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161258352 624499040 /nfs/dbraw/zinc/49/90/40/624499040.db2.gz BMKVVVNLVFKWFL-CYBMUJFWSA-N 2 1 293.411 2.103 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000892520681 625888269 /nfs/dbraw/zinc/88/82/69/625888269.db2.gz CGIGAWLYNVMYOV-GFCCVEGCSA-N 2 1 287.411 2.228 20 0 CEADMP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001024959328 625927414 /nfs/dbraw/zinc/92/74/14/625927414.db2.gz VBZJMXQVFPLRGO-HZPDHXFCSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737235 625927606 /nfs/dbraw/zinc/92/76/06/625927606.db2.gz DJJQZMXCDXSCCD-IIAWOOMASA-N 2 1 280.456 2.369 20 0 CEADMP CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001024984583 625937609 /nfs/dbraw/zinc/93/76/09/625937609.db2.gz HIEWTPMCDSWLTH-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP Cn1cc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cn1 ZINC000820808477 634534871 /nfs/dbraw/zinc/53/48/71/634534871.db2.gz HINIOXALYAFKPH-ZXFUBFMLSA-N 2 1 288.439 2.100 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000820810426 634536167 /nfs/dbraw/zinc/53/61/67/634536167.db2.gz WPPUABLAURXWOF-UCHQMPSGSA-N 2 1 298.471 2.015 20 0 CEADMP CCn1cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)nn1 ZINC000892586102 627290955 /nfs/dbraw/zinc/29/09/55/627290955.db2.gz ZSRDSDHATIODQI-AWEZNQCLSA-N 2 1 279.432 2.042 20 0 CEADMP Cc1cc(C)cc(OCCC[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000310984066 627336088 /nfs/dbraw/zinc/33/60/88/627336088.db2.gz GKZIDCTUUBHWDB-CQSZACIVSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1cc(C)cc(OCCC[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000310984066 627336090 /nfs/dbraw/zinc/33/60/90/627336090.db2.gz GKZIDCTUUBHWDB-CQSZACIVSA-N 2 1 250.386 2.351 20 0 CEADMP FC1(F)CC[C@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000311056475 627358925 /nfs/dbraw/zinc/35/89/25/627358925.db2.gz YFGIKQIDWNUNRP-LBPRGKRZSA-N 2 1 258.356 2.497 20 0 CEADMP c1ccc(SCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000328471618 627885988 /nfs/dbraw/zinc/88/59/88/627885988.db2.gz HBEBTXBVZMVTQI-FHXAZYNBSA-N 2 1 274.433 2.365 20 0 CEADMP Cc1cc(F)ncc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000893094192 627996468 /nfs/dbraw/zinc/99/64/68/627996468.db2.gz GIYIFCJKKDLMRU-KBPBESRZSA-N 2 1 265.376 2.492 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925508972 628026826 /nfs/dbraw/zinc/02/68/26/628026826.db2.gz JTCPOTSRVZWDHQ-FVQBIDKESA-N 2 1 261.413 2.149 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])NC2CCCCCC2)C1 ZINC000092277361 628094837 /nfs/dbraw/zinc/09/48/37/628094837.db2.gz HQEZIIBTGLKFND-CQSZACIVSA-N 2 1 280.460 2.345 20 0 CEADMP c1ccc2c(c1)CC[N@@H+](CCN[C@H]1CC[NH2+]C13CCCC3)C2 ZINC000925527204 628109870 /nfs/dbraw/zinc/10/98/70/628109870.db2.gz OOQDRWNBLCMHPK-SFHVURJKSA-N 2 1 299.462 2.309 20 0 CEADMP c1ccc2c(c1)CC[N@H+](CCN[C@H]1CC[NH2+]C13CCCC3)C2 ZINC000925527204 628109877 /nfs/dbraw/zinc/10/98/77/628109877.db2.gz OOQDRWNBLCMHPK-SFHVURJKSA-N 2 1 299.462 2.309 20 0 CEADMP Cc1cc(N)nc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000893194501 628117110 /nfs/dbraw/zinc/11/71/10/628117110.db2.gz HEHBWLVEIWUTCA-WFASDCNBSA-N 2 1 297.406 2.300 20 0 CEADMP Cc1cc(N)nc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000893194501 628117111 /nfs/dbraw/zinc/11/71/11/628117111.db2.gz HEHBWLVEIWUTCA-WFASDCNBSA-N 2 1 297.406 2.300 20 0 CEADMP Fc1ccc(F)c(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000925529366 628124615 /nfs/dbraw/zinc/12/46/15/628124615.db2.gz IQJVGEWOHXFHEQ-XNHOIOAFSA-N 2 1 278.346 2.093 20 0 CEADMP [NH3+]CCCC[C@@H](NCCC[NH3+])c1ccc(F)cc1F ZINC000902391668 634631798 /nfs/dbraw/zinc/63/17/98/634631798.db2.gz ZBGUCYHVIOXNHB-CQSZACIVSA-N 2 1 271.355 2.073 20 0 CEADMP C[C@H]([NH3+])[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000925561031 628229355 /nfs/dbraw/zinc/22/93/55/628229355.db2.gz IJQMVKJHTROOAF-HJWJTTGWSA-N 2 1 273.424 2.291 20 0 CEADMP C[C@H]([NH3+])[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000925561039 628229809 /nfs/dbraw/zinc/22/98/09/628229809.db2.gz IJQMVKJHTROOAF-ORQFMDKSSA-N 2 1 273.424 2.291 20 0 CEADMP CCn1cnc(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000902405397 634641711 /nfs/dbraw/zinc/64/17/11/634641711.db2.gz KXPQVCFYDKNYFG-OAHLLOKOSA-N 2 1 278.444 2.361 20 0 CEADMP COC1(OC)CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000925588974 628267701 /nfs/dbraw/zinc/26/77/01/628267701.db2.gz UODUFHNAMLONCU-LSDHHAIUSA-N 2 1 284.444 2.096 20 0 CEADMP COC1(OC)CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000925588974 628267705 /nfs/dbraw/zinc/26/77/05/628267705.db2.gz UODUFHNAMLONCU-LSDHHAIUSA-N 2 1 284.444 2.096 20 0 CEADMP CCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)o1 ZINC000893302956 628277146 /nfs/dbraw/zinc/27/71/46/628277146.db2.gz IYMCCMXZZXBERP-UHFFFAOYSA-N 2 1 250.342 2.030 20 0 CEADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925617167 628303970 /nfs/dbraw/zinc/30/39/70/628303970.db2.gz VPHLYOYEQVOTRP-XQHKEYJVSA-N 2 1 268.426 2.290 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000925617134 628304079 /nfs/dbraw/zinc/30/40/79/628304079.db2.gz VANMECIEXDGPKY-RHSMWYFYSA-N 3 1 288.439 2.028 20 0 CEADMP CCC(O)(CC)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925649988 628354029 /nfs/dbraw/zinc/35/40/29/628354029.db2.gz QMAISKQZUOAOEO-ZDUSSCGKSA-N 2 1 254.418 2.192 20 0 CEADMP CN(C)c1cccnc1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925669190 628450765 /nfs/dbraw/zinc/45/07/65/628450765.db2.gz QHEMHSCETCMNMR-STQMWFEESA-N 2 1 276.428 2.143 20 0 CEADMP COCC1(C[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])CCOCC1 ZINC000925676202 628463282 /nfs/dbraw/zinc/46/32/82/628463282.db2.gz YRERJVNPIAKEOI-GDBMZVCRSA-N 2 1 292.423 2.108 20 0 CEADMP [NH3+]C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000902414306 634663410 /nfs/dbraw/zinc/66/34/10/634663410.db2.gz WHLJSDPZDGAIIG-BJWYYQGGSA-N 2 1 285.435 2.263 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000194012998 628495604 /nfs/dbraw/zinc/49/56/04/628495604.db2.gz WPMHPKDZEPNKQY-CABCVRRESA-N 2 1 252.402 2.343 20 0 CEADMP Cc1cccc2nc(CC[NH2+][C@@H]3CC[NH2+]C34CCC4)cn21 ZINC000925705186 628551216 /nfs/dbraw/zinc/55/12/16/628551216.db2.gz ADIXAUFGXLPXLJ-OAHLLOKOSA-N 2 1 284.407 2.059 20 0 CEADMP c1ccc([C@@H]2CO[C@H](C[NH2+][C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000925708986 628556746 /nfs/dbraw/zinc/55/67/46/628556746.db2.gz MRFKWKXCWHYWRW-ULQDDVLXSA-N 2 1 286.419 2.433 20 0 CEADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473144 634665780 /nfs/dbraw/zinc/66/57/80/634665780.db2.gz SHMLUSRPHFAINA-LTIDMASMSA-N 2 1 292.398 2.256 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CC2 ZINC000902476226 634667672 /nfs/dbraw/zinc/66/76/72/634667672.db2.gz NRSRQIXCMPPHFL-TXCZRRACSA-N 2 1 272.392 2.035 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)C12CCC2 ZINC000925723514 628608633 /nfs/dbraw/zinc/60/86/33/628608633.db2.gz WZIWFSALLAQSRA-VXGBXAGGSA-N 2 1 252.308 2.324 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000925724846 628626895 /nfs/dbraw/zinc/62/68/95/628626895.db2.gz DZAHCMOIWIMNOU-SDADXPQNSA-N 3 1 261.413 2.182 20 0 CEADMP COCCOC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488478 628648664 /nfs/dbraw/zinc/64/86/64/628648664.db2.gz RJMIXEIWTAPORB-ARFHVFGLSA-N 2 1 298.471 2.281 20 0 CEADMP CCCn1cc[nH+]c1CCCN(C)c1nc(N)cc(C)[nH+]1 ZINC000893487871 628648950 /nfs/dbraw/zinc/64/89/50/628648950.db2.gz MYGIGDHEYNFGCQ-UHFFFAOYSA-N 2 1 288.399 2.043 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(C)(C)C)C[C@H]1C[NH3+] ZINC000253192324 628652207 /nfs/dbraw/zinc/65/22/07/628652207.db2.gz NBJZCMONFHZJDF-CHWSQXEVSA-N 2 1 278.444 2.134 20 0 CEADMP COCC[C@@H](Cc1ccco1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893515054 628669385 /nfs/dbraw/zinc/66/93/85/628669385.db2.gz GPFVZRBUSAZUDU-HNSVSWJLSA-N 2 1 292.423 2.442 20 0 CEADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCSC(C)(C)C1 ZINC000902453818 634676098 /nfs/dbraw/zinc/67/60/98/634676098.db2.gz QZAISOXAGWLLJW-AGIUHOORSA-N 2 1 272.458 2.017 20 0 CEADMP C[C@H](C1CC[NH+](C)CC1)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925752151 628712261 /nfs/dbraw/zinc/71/22/61/628712261.db2.gz GHTOYLAFKAARKX-CYBMUJFWSA-N 2 1 289.423 2.194 20 0 CEADMP CC(=O)c1ccccc1OCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874057 628726405 /nfs/dbraw/zinc/72/64/05/628726405.db2.gz YTQUARVPQYQEIO-UHFFFAOYSA-N 2 1 278.396 2.185 20 0 CEADMP CC(=O)c1ccccc1OCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874057 628726410 /nfs/dbraw/zinc/72/64/10/628726410.db2.gz YTQUARVPQYQEIO-UHFFFAOYSA-N 2 1 278.396 2.185 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)[C@@H]1CCC[NH2+]1 ZINC000902462680 634682315 /nfs/dbraw/zinc/68/23/15/634682315.db2.gz XKIRJDQMGHSLBE-IHRRRGAJSA-N 2 1 254.418 2.454 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236825774 628850899 /nfs/dbraw/zinc/85/08/99/628850899.db2.gz HQAYLUKZTFZARX-ZBFHGGJFSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H]([NH2+]CCc1nc2c(s1)CCC2)[C@H]1CCCC[NH2+]1 ZINC000925830717 628923878 /nfs/dbraw/zinc/92/38/78/628923878.db2.gz LFYITFWICXEVJM-NWDGAFQWSA-N 2 1 279.453 2.295 20 0 CEADMP CCOC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000233770074 628957002 /nfs/dbraw/zinc/95/70/02/628957002.db2.gz IWSSSMKDQFCWFF-DKUMPPAJSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000925855854 628958944 /nfs/dbraw/zinc/95/89/44/628958944.db2.gz DHTXIWFGFXRUSV-UIDBIOKJSA-N 3 1 265.445 2.124 20 0 CEADMP COC[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)C(C)C ZINC000925873418 628972602 /nfs/dbraw/zinc/97/26/02/628972602.db2.gz JKFLZOSXQLOFIF-VXGBXAGGSA-N 2 1 251.374 2.063 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000925880001 628979147 /nfs/dbraw/zinc/97/91/47/628979147.db2.gz FVGYSRVUWWOTHI-XOKHGSTOSA-N 2 1 274.408 2.278 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000925880736 628980147 /nfs/dbraw/zinc/98/01/47/628980147.db2.gz NZBAFHXDDLLABC-HZPDHXFCSA-N 2 1 274.408 2.421 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000925880735 628980218 /nfs/dbraw/zinc/98/02/18/628980218.db2.gz NZBAFHXDDLLABC-HOTGVXAUSA-N 2 1 274.408 2.421 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnc(C)s2)C1 ZINC000245577866 628990374 /nfs/dbraw/zinc/99/03/74/628990374.db2.gz GYMMSGSKYNPHNN-PWSUYJOCSA-N 2 1 253.415 2.444 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnc(C)s2)C1 ZINC000245577866 628990376 /nfs/dbraw/zinc/99/03/76/628990376.db2.gz GYMMSGSKYNPHNN-PWSUYJOCSA-N 2 1 253.415 2.444 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3nonc3c2)C1 ZINC000821381178 634703278 /nfs/dbraw/zinc/70/32/78/634703278.db2.gz VZHNPUTWDHJGFJ-AWEZNQCLSA-N 2 1 288.395 2.387 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3nonc3c2)C1 ZINC000821381178 634703285 /nfs/dbraw/zinc/70/32/85/634703285.db2.gz VZHNPUTWDHJGFJ-AWEZNQCLSA-N 2 1 288.395 2.387 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000821381178 634703288 /nfs/dbraw/zinc/70/32/88/634703288.db2.gz VZHNPUTWDHJGFJ-AWEZNQCLSA-N 2 1 288.395 2.387 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000821381178 634703294 /nfs/dbraw/zinc/70/32/94/634703294.db2.gz VZHNPUTWDHJGFJ-AWEZNQCLSA-N 2 1 288.395 2.387 20 0 CEADMP Cc1ccc2c(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)cc(=O)oc2c1 ZINC000261692537 629072636 /nfs/dbraw/zinc/07/26/36/629072636.db2.gz NNOIRLIXNDWOAW-KRWDZBQOSA-N 2 1 286.375 2.272 20 0 CEADMP Cc1ccc2c(C[N@H+]3CC[C@@](C)(C[NH3+])C3)cc(=O)oc2c1 ZINC000261692537 629072638 /nfs/dbraw/zinc/07/26/38/629072638.db2.gz NNOIRLIXNDWOAW-KRWDZBQOSA-N 2 1 286.375 2.272 20 0 CEADMP CCn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)n1 ZINC000894097805 629123869 /nfs/dbraw/zinc/12/38/69/629123869.db2.gz QIAWZYSCFIUEJN-HOTGVXAUSA-N 2 1 296.418 2.221 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000894166841 629180228 /nfs/dbraw/zinc/18/02/28/629180228.db2.gz UXWSTPACKHVYRL-CYBMUJFWSA-N 2 1 299.459 2.173 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000894232022 629241964 /nfs/dbraw/zinc/24/19/64/629241964.db2.gz AYPLHFUGZGGTDJ-UHFFFAOYSA-N 3 1 279.472 2.136 20 0 CEADMP Cc1cc(Cl)ccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261802863 629247570 /nfs/dbraw/zinc/24/75/70/629247570.db2.gz RNOAECRPONOCPP-MRXNPFEDSA-N 2 1 293.842 2.128 20 0 CEADMP C[NH2+]C1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000261850711 629280193 /nfs/dbraw/zinc/28/01/93/629280193.db2.gz WSCJTZIYGBVFOS-UHFFFAOYSA-N 2 1 295.814 2.352 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000924947795 629285457 /nfs/dbraw/zinc/28/54/57/629285457.db2.gz AYEXYPNATMILCU-LOCSVTFISA-N 2 1 277.412 2.375 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000924948938 629286535 /nfs/dbraw/zinc/28/65/35/629286535.db2.gz FHOQCMRAVUQSEK-VNQPRFMTSA-N 2 1 279.428 2.478 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000924948928 629286585 /nfs/dbraw/zinc/28/65/85/629286585.db2.gz FHOQCMRAVUQSEK-KBMXLJTQSA-N 2 1 279.428 2.478 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc2c1OCO2 ZINC000925013256 629353910 /nfs/dbraw/zinc/35/39/10/629353910.db2.gz ZTLPHGANHSHFLE-QWHCGFSZSA-N 2 1 276.380 2.408 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc2c1OCO2 ZINC000925013256 629353915 /nfs/dbraw/zinc/35/39/15/629353915.db2.gz ZTLPHGANHSHFLE-QWHCGFSZSA-N 2 1 276.380 2.408 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(N3CCc4[nH+]ccc(N)c4C3)c12 ZINC000894404986 629437602 /nfs/dbraw/zinc/43/76/02/629437602.db2.gz WKIAURGXJMLQTB-UHFFFAOYSA-N 2 1 294.362 2.060 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000262017289 629441185 /nfs/dbraw/zinc/44/11/85/629441185.db2.gz VTQMFRXIFQAGDH-HNNXBMFYSA-N 2 1 260.381 2.256 20 0 CEADMP COC1(c2ccccc2)C[NH+](CC2CC[NH+](C)CC2)C1 ZINC000894503282 629499571 /nfs/dbraw/zinc/49/95/71/629499571.db2.gz ZYVHQLVWLNXION-UHFFFAOYSA-N 2 1 274.408 2.186 20 0 CEADMP CCNc1ccccc1C[NH2+]CCc1c[nH+]cn1C ZINC000902621804 634749826 /nfs/dbraw/zinc/74/98/26/634749826.db2.gz PSHPAKWCQJWXNJ-UHFFFAOYSA-N 2 1 258.369 2.184 20 0 CEADMP Cc1coc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000894765041 629631387 /nfs/dbraw/zinc/63/13/87/629631387.db2.gz GKTOSNONWNHYPO-UHFFFAOYSA-N 2 1 279.428 2.046 20 0 CEADMP Cc1coc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000894765041 629631391 /nfs/dbraw/zinc/63/13/91/629631391.db2.gz GKTOSNONWNHYPO-UHFFFAOYSA-N 2 1 279.428 2.046 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H]2C[C@@]2(C)Br)C1 ZINC000894861922 629699116 /nfs/dbraw/zinc/69/91/16/629699116.db2.gz YSWVUOAVLYRORI-FRRDWIJNSA-N 2 1 289.261 2.481 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000909430167 629844850 /nfs/dbraw/zinc/84/48/50/629844850.db2.gz DFVICAJRNMBVNT-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CCC2CCC2)s1 ZINC000796321604 629847826 /nfs/dbraw/zinc/84/78/26/629847826.db2.gz HPXYDMMNCSMZBX-UHFFFAOYSA-N 2 1 253.415 2.485 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)CC1 ZINC000895081680 629869695 /nfs/dbraw/zinc/86/96/95/629869695.db2.gz JHPKKFXRLBTVIE-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)n2)[C@H]2CCC[C@H]21 ZINC000796837097 630028781 /nfs/dbraw/zinc/02/87/81/630028781.db2.gz NLTFLBPBVZWGMA-HZSPNIEDSA-N 2 1 263.360 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)n2)[C@H]2CCC[C@H]21 ZINC000796837097 630028789 /nfs/dbraw/zinc/02/87/89/630028789.db2.gz NLTFLBPBVZWGMA-HZSPNIEDSA-N 2 1 263.360 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)[C@H]2CCC[C@H]21 ZINC000796854416 630040710 /nfs/dbraw/zinc/04/07/10/630040710.db2.gz KMGMLMKVAYELFD-LVQVYYBASA-N 2 1 294.439 2.135 20 0 CEADMP COc1cccc(C)c1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895292515 630081403 /nfs/dbraw/zinc/08/14/03/630081403.db2.gz GANXFCMWIPHRDZ-ZDUSSCGKSA-N 2 1 250.386 2.433 20 0 CEADMP CCOC(CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)OCC ZINC000796961403 630082385 /nfs/dbraw/zinc/08/23/85/630082385.db2.gz MRENTJDKWWCELJ-ZNMIVQPWSA-N 2 1 284.444 2.238 20 0 CEADMP COc1cc(C)c(C[NH2+]CC[C@H](C)[NH+](C)C)cc1OC ZINC000895297005 630089800 /nfs/dbraw/zinc/08/98/00/630089800.db2.gz IDBJOTQAJMZBSV-ZDUSSCGKSA-N 2 1 280.412 2.442 20 0 CEADMP Cc1cn[nH]c1CN1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895380332 630150815 /nfs/dbraw/zinc/15/08/15/630150815.db2.gz OIKNCEONYGXZPU-HIFRSBDPSA-N 2 1 264.417 2.270 20 0 CEADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnn2c1CCC2 ZINC000895381625 630152429 /nfs/dbraw/zinc/15/24/29/630152429.db2.gz VCIZCNHSVPZRKJ-GDBMZVCRSA-N 2 1 290.455 2.382 20 0 CEADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnn2c1CCC2 ZINC000895381625 630152434 /nfs/dbraw/zinc/15/24/34/630152434.db2.gz VCIZCNHSVPZRKJ-GDBMZVCRSA-N 2 1 290.455 2.382 20 0 CEADMP C[C@H](C[NH+]1CCC(C)CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000895395820 630163678 /nfs/dbraw/zinc/16/36/78/630163678.db2.gz CDXGVWDBYUQKRN-MGNMYUMUSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCSC2)CCN1c1cc[nH+]cc1 ZINC000895557948 630248683 /nfs/dbraw/zinc/24/86/83/630248683.db2.gz TXGPULUCXWDFIY-ZIAGYGMSSA-N 2 1 277.437 2.345 20 0 CEADMP Cc1[nH+]ccc(N[C@H]2CC[N@@H+](C)[C@H]2C)c1Br ZINC000895733955 630324475 /nfs/dbraw/zinc/32/44/75/630324475.db2.gz IQTPHRGRTPLEHI-UWVGGRQHSA-N 2 1 284.201 2.079 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000883447505 630612165 /nfs/dbraw/zinc/61/21/65/630612165.db2.gz DCZBFZFLLYDNCJ-VXGBXAGGSA-N 2 1 280.334 2.029 20 0 CEADMP CO[C@](C)(C[NH2+][C@@H](CCN(C)C)c1cccnc1)C1CC1 ZINC000896720308 630644146 /nfs/dbraw/zinc/64/41/46/630644146.db2.gz HUUQYIFESQFQEQ-DLBZAZTESA-N 2 1 291.439 2.479 20 0 CEADMP Cc1cc(C)n(CC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000799177156 630991969 /nfs/dbraw/zinc/99/19/69/630991969.db2.gz IQFYHYMWPSIDJP-UHFFFAOYSA-N 2 1 290.455 2.308 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2ccccn2)C1 ZINC000799196546 630997092 /nfs/dbraw/zinc/99/70/92/630997092.db2.gz TVILBWKAUDILTQ-CABCVRRESA-N 2 1 259.397 2.355 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799196546 630997095 /nfs/dbraw/zinc/99/70/95/630997095.db2.gz TVILBWKAUDILTQ-CABCVRRESA-N 2 1 259.397 2.355 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799196546 630997096 /nfs/dbraw/zinc/99/70/96/630997096.db2.gz TVILBWKAUDILTQ-CABCVRRESA-N 2 1 259.397 2.355 20 0 CEADMP CC[N@@H+](C[C@H](O)c1ccc(C)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904323068 635569490 /nfs/dbraw/zinc/56/94/90/635569490.db2.gz LNGZAOFWFRJXAG-IMJJTQAJSA-N 2 1 262.397 2.088 20 0 CEADMP CC(C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000985427313 631071844 /nfs/dbraw/zinc/07/18/44/631071844.db2.gz YGJGYPKEXAVUHV-INIZCTEOSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000985427313 631071850 /nfs/dbraw/zinc/07/18/50/631071850.db2.gz YGJGYPKEXAVUHV-INIZCTEOSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000985427313 631071857 /nfs/dbraw/zinc/07/18/57/631071857.db2.gz YGJGYPKEXAVUHV-INIZCTEOSA-N 2 1 295.471 2.190 20 0 CEADMP C[C@@]1(C[N@@H+]2CCc3ccc(O)cc3C2)CCC[NH2+]C1 ZINC000904336073 635577589 /nfs/dbraw/zinc/57/75/89/635577589.db2.gz MIHZZZVCALFQSS-MRXNPFEDSA-N 2 1 260.381 2.140 20 0 CEADMP C[C@@]1(C[N@H+]2CCc3ccc(O)cc3C2)CCC[NH2+]C1 ZINC000904336073 635577590 /nfs/dbraw/zinc/57/75/90/635577590.db2.gz MIHZZZVCALFQSS-MRXNPFEDSA-N 2 1 260.381 2.140 20 0 CEADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000909599433 631094306 /nfs/dbraw/zinc/09/43/06/631094306.db2.gz FKNSUQXKHFFECQ-UKRRQHHQSA-N 2 1 289.423 2.335 20 0 CEADMP CC(C)C[N@@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000985470955 631097488 /nfs/dbraw/zinc/09/74/88/631097488.db2.gz REEOHDNZQRYJBO-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC([NH+](C)CC)CC2)C1 ZINC000985594326 631155875 /nfs/dbraw/zinc/15/58/75/631155875.db2.gz UTAFWHMBYKJWFU-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([N@H+](C)CC)CC2)C1 ZINC000985594326 631155880 /nfs/dbraw/zinc/15/58/80/631155880.db2.gz UTAFWHMBYKJWFU-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N2CCC([N@@H+](C)CC)CC2)C1 ZINC000985594326 631155883 /nfs/dbraw/zinc/15/58/83/631155883.db2.gz UTAFWHMBYKJWFU-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCSC(C)(C)C ZINC000801935930 631362568 /nfs/dbraw/zinc/36/25/68/631362568.db2.gz NKXABEDUNNRXFM-UHFFFAOYSA-N 2 1 287.517 2.087 20 0 CEADMP C[C@@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccc(F)cc1 ZINC000904420938 635633024 /nfs/dbraw/zinc/63/30/24/635633024.db2.gz ZBCUMICQCPQGPR-AEGPPILISA-N 2 1 262.372 2.471 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ncc[nH]2)C1 ZINC000067691547 631668154 /nfs/dbraw/zinc/66/81/54/631668154.db2.gz SESRGBRAGOSHPZ-CYBMUJFWSA-N 2 1 250.390 2.011 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](CC3CCSCC3)C[C@]2(C)C1 ZINC000897620705 631833563 /nfs/dbraw/zinc/83/35/63/631833563.db2.gz WNCYFSKCVQZBEZ-KGLIPLIRSA-N 2 1 254.443 2.013 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CC3CCSCC3)C[C@]2(C)C1 ZINC000897620705 631833568 /nfs/dbraw/zinc/83/35/68/631833568.db2.gz WNCYFSKCVQZBEZ-KGLIPLIRSA-N 2 1 254.443 2.013 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@H]32)CC1 ZINC000897959063 631991340 /nfs/dbraw/zinc/99/13/40/631991340.db2.gz PPFNBENLAWNQHG-XLNGHYISSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@H+]1CC[C@@H](NCC[NH+]2CCC(C)(C)C2)CC1(C)C ZINC000898034846 632027959 /nfs/dbraw/zinc/02/79/59/632027959.db2.gz YVOULYSSVGLIGF-CQSZACIVSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@@H](NCC[N@@H+]2CCC(C)(C)C2)CC1(C)C ZINC000898034846 632027966 /nfs/dbraw/zinc/02/79/66/632027966.db2.gz YVOULYSSVGLIGF-CQSZACIVSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+]1CC[C@@H](NCC[N@H+]2CCC(C)(C)C2)CC1(C)C ZINC000898034846 632027981 /nfs/dbraw/zinc/02/79/81/632027981.db2.gz YVOULYSSVGLIGF-CQSZACIVSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]23C[C@H]2COC32CCC2)CC1(C)C ZINC000898062261 632038509 /nfs/dbraw/zinc/03/85/09/632038509.db2.gz NCZPITUNNZOIRR-OFQRWUPVSA-N 2 1 278.440 2.408 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc([C@@H](C)O)s2)C1 ZINC000809735896 632134477 /nfs/dbraw/zinc/13/44/77/632134477.db2.gz XASPTCZEMMQVOV-NEPJUHHUSA-N 2 1 283.441 2.016 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc([C@@H](C)O)s2)C1 ZINC000809735896 632134481 /nfs/dbraw/zinc/13/44/81/632134481.db2.gz XASPTCZEMMQVOV-NEPJUHHUSA-N 2 1 283.441 2.016 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000810263714 632199907 /nfs/dbraw/zinc/19/99/07/632199907.db2.gz RHSYBSZOZCSAGQ-HNSVSWJLSA-N 2 1 267.461 2.322 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000810263714 632199911 /nfs/dbraw/zinc/19/99/11/632199911.db2.gz RHSYBSZOZCSAGQ-HNSVSWJLSA-N 2 1 267.461 2.322 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000810263714 632199914 /nfs/dbraw/zinc/19/99/14/632199914.db2.gz RHSYBSZOZCSAGQ-HNSVSWJLSA-N 2 1 267.461 2.322 20 0 CEADMP CCO[C@H](C[NH2+][C@@H](c1ccccn1)C(C)C)CN(C)C ZINC000926957349 632383868 /nfs/dbraw/zinc/38/38/68/632383868.db2.gz ACBPRVFLSSIOCO-GDBMZVCRSA-N 2 1 279.428 2.335 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1c2ccccc2C[C@@H]1C)C[NH+](C)C ZINC000926960745 632387779 /nfs/dbraw/zinc/38/77/79/632387779.db2.gz HGQMDEZEDRCAJN-YSVLISHTSA-N 2 1 276.424 2.476 20 0 CEADMP CCO[C@H](C[NH2+][C@H](C)Cc1cccs1)C[NH+](C)C ZINC000926962932 632391334 /nfs/dbraw/zinc/39/13/34/632391334.db2.gz OMBNSMMECNNUOK-CHWSQXEVSA-N 2 1 270.442 2.235 20 0 CEADMP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000924689181 632420280 /nfs/dbraw/zinc/42/02/80/632420280.db2.gz WYWNRIVLHAIYKU-OWCLPIDISA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CCCO)C1 ZINC000924705015 632438660 /nfs/dbraw/zinc/43/86/60/632438660.db2.gz JYLJSODMOMICEA-BZUAXINKSA-N 2 1 268.445 2.249 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)C1 ZINC000924704847 632438735 /nfs/dbraw/zinc/43/87/35/632438735.db2.gz IAZOPGBJGROMDL-PVAVHDDUSA-N 2 1 290.455 2.063 20 0 CEADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)CC1 ZINC000898420617 632490458 /nfs/dbraw/zinc/49/04/58/632490458.db2.gz ZIHWRBUNTPGKST-KGLIPLIRSA-N 2 1 254.443 2.013 20 0 CEADMP CN(CCCC[NH+]1CCCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000899230671 632745946 /nfs/dbraw/zinc/74/59/46/632745946.db2.gz OMHHYCHAUOTIDH-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP COC(C)(C)[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000815579657 633033105 /nfs/dbraw/zinc/03/31/05/633033105.db2.gz SAZXEWMFUQNXOY-DZGCQCFKSA-N 2 1 284.444 2.033 20 0 CEADMP COC(C)(C)[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000815579660 633033774 /nfs/dbraw/zinc/03/37/74/633033774.db2.gz SAZXEWMFUQNXOY-ZFWWWQNUSA-N 2 1 284.444 2.033 20 0 CEADMP CC(C)[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC000900013148 633167402 /nfs/dbraw/zinc/16/74/02/633167402.db2.gz RCRNKOFOJCUXJD-HZPDHXFCSA-N 2 1 295.471 2.238 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817281824 633617457 /nfs/dbraw/zinc/61/74/57/633617457.db2.gz QDRQMAXUYUUPTC-CHWSQXEVSA-N 2 1 294.361 2.108 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817281824 633617459 /nfs/dbraw/zinc/61/74/59/633617459.db2.gz QDRQMAXUYUUPTC-CHWSQXEVSA-N 2 1 294.361 2.108 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@@H+](C[Si](C)(C)C)CC2)CC1 ZINC000817285723 633619064 /nfs/dbraw/zinc/61/90/64/633619064.db2.gz NCXDIPCJHILDGG-UHFFFAOYSA-N 2 1 297.563 2.356 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(-n3ccnc3)nc2)C[C@@H]1C[NH3+] ZINC000817865631 633748186 /nfs/dbraw/zinc/74/81/86/633748186.db2.gz MEJSYVVCBKSDKS-YCPHGPKFSA-N 2 1 299.422 2.073 20 0 CEADMP Cc1ccc(OCC[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000817879636 633750598 /nfs/dbraw/zinc/75/05/98/633750598.db2.gz DKDKBDPICRJYRB-UHFFFAOYSA-N 2 1 260.381 2.202 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1c[nH+]ccc1N ZINC000817890773 633752876 /nfs/dbraw/zinc/75/28/76/633752876.db2.gz YRZGTQCDJJCLBP-BONVTDFDSA-N 2 1 275.327 2.017 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2cccnc2)c2ccccc21 ZINC000817892219 633754326 /nfs/dbraw/zinc/75/43/26/633754326.db2.gz KZTVKXQMSPPRMD-CVEARBPZSA-N 2 1 269.348 2.195 20 0 CEADMP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000817904661 633765195 /nfs/dbraw/zinc/76/51/95/633765195.db2.gz FSMQSBNLNHIGML-NOXHYTERSA-N 2 1 280.387 2.368 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000817914366 633772969 /nfs/dbraw/zinc/77/29/69/633772969.db2.gz YZJLCRHSABBUOC-RQJABVFESA-N 2 1 266.385 2.212 20 0 CEADMP C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000817928365 633783250 /nfs/dbraw/zinc/78/32/50/633783250.db2.gz WCQRBZYAYOYOQA-UAGQMJEPSA-N 2 1 276.424 2.100 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)[C@H]1CCC[NH2+]1 ZINC000817936372 633787437 /nfs/dbraw/zinc/78/74/37/633787437.db2.gz JWVPHRKXUHHQHB-IVZWLZJFSA-N 2 1 251.201 2.300 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000042361191 633801175 /nfs/dbraw/zinc/80/11/75/633801175.db2.gz LXSRVQQXDLSMAV-MRXNPFEDSA-N 2 1 280.387 2.323 20 0 CEADMP COCc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)ccc1OC ZINC000817964559 633806705 /nfs/dbraw/zinc/80/67/05/633806705.db2.gz CLOYCSIERNRBGI-NHYWBVRUSA-N 2 1 278.396 2.230 20 0 CEADMP c1[nH]nc2c1[C@@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CCC2 ZINC000817985088 633827840 /nfs/dbraw/zinc/82/78/40/633827840.db2.gz GWFSULJFOCOTJO-AAEUAGOBSA-N 2 1 260.385 2.051 20 0 CEADMP ClC1(Cl)C[C@@H]1CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000818335172 633910933 /nfs/dbraw/zinc/91/09/33/633910933.db2.gz KFGBZKUEOZUIHK-JTQLQIEISA-N 2 1 263.212 2.398 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000818963362 634018255 /nfs/dbraw/zinc/01/82/55/634018255.db2.gz QZBIQFASVRONSF-YQQAZPJKSA-N 2 1 292.398 2.384 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000818968821 634021409 /nfs/dbraw/zinc/02/14/09/634021409.db2.gz YQZDAJPLSCEAOD-HNNXBMFYSA-N 2 1 277.343 2.044 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902790828 634834678 /nfs/dbraw/zinc/83/46/78/634834678.db2.gz SDUOWFPTGVXXDS-FOLNQXHWSA-N 2 1 266.429 2.120 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902790828 634834680 /nfs/dbraw/zinc/83/46/80/634834680.db2.gz SDUOWFPTGVXXDS-FOLNQXHWSA-N 2 1 266.429 2.120 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902790129 634834733 /nfs/dbraw/zinc/83/47/33/634834733.db2.gz MJMPIAFRHYDITA-SQNOXXGPSA-N 2 1 289.423 2.231 20 0 CEADMP C[N@H+](CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C1CCCC1 ZINC000902793892 634836656 /nfs/dbraw/zinc/83/66/56/634836656.db2.gz OHLRUONVUGMQDO-SMLCLMEVSA-N 2 1 278.440 2.264 20 0 CEADMP C[N@@H+](CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C1CCCC1 ZINC000902793892 634836657 /nfs/dbraw/zinc/83/66/57/634836657.db2.gz OHLRUONVUGMQDO-SMLCLMEVSA-N 2 1 278.440 2.264 20 0 CEADMP CC(C)[N@@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903085974 634962810 /nfs/dbraw/zinc/96/28/10/634962810.db2.gz JLKFLWWUBQGZRO-VHRNVKJDSA-N 2 1 265.445 2.074 20 0 CEADMP CC(C)[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903085974 634962813 /nfs/dbraw/zinc/96/28/13/634962813.db2.gz JLKFLWWUBQGZRO-VHRNVKJDSA-N 2 1 265.445 2.074 20 0 CEADMP CC(C)[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903085974 634962814 /nfs/dbraw/zinc/96/28/14/634962814.db2.gz JLKFLWWUBQGZRO-VHRNVKJDSA-N 2 1 265.445 2.074 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903085901 634962893 /nfs/dbraw/zinc/96/28/93/634962893.db2.gz IHNSIUVUINLTNC-VHRNVKJDSA-N 2 1 288.439 2.284 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903085901 634962895 /nfs/dbraw/zinc/96/28/95/634962895.db2.gz IHNSIUVUINLTNC-VHRNVKJDSA-N 2 1 288.439 2.284 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903089310 634964294 /nfs/dbraw/zinc/96/42/94/634964294.db2.gz PTVKVPCTDVQOBI-ZBSSRIJBSA-N 2 1 279.472 2.464 20 0 CEADMP CC[C@@H](C)[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903089310 634964298 /nfs/dbraw/zinc/96/42/98/634964298.db2.gz PTVKVPCTDVQOBI-ZBSSRIJBSA-N 2 1 279.472 2.464 20 0 CEADMP CC[C@@H](C)[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903089310 634964301 /nfs/dbraw/zinc/96/43/01/634964301.db2.gz PTVKVPCTDVQOBI-ZBSSRIJBSA-N 2 1 279.472 2.464 20 0 CEADMP CO[C@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903090209 634964573 /nfs/dbraw/zinc/96/45/73/634964573.db2.gz XCJVQGZZAYKRIJ-IKKMQULASA-N 2 1 252.402 2.159 20 0 CEADMP CSCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903098089 634967929 /nfs/dbraw/zinc/96/79/29/634967929.db2.gz LHBXSINXXHTQLM-QXMXGUDHSA-N 2 1 254.443 2.487 20 0 CEADMP C[C@@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(F)(F)F ZINC000903128715 634983491 /nfs/dbraw/zinc/98/34/91/634983491.db2.gz ADEHIOABRKAYMX-PLKNYFGKSA-N 2 1 292.345 2.047 20 0 CEADMP C(C[C@@H]1CC[C@@H]2C[C@@H]21)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000903165864 634995819 /nfs/dbraw/zinc/99/58/19/634995819.db2.gz WRRYEBLPHCZQGC-XOSAIJSUSA-N 2 1 278.440 2.266 20 0 CEADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CC1 ZINC000903176508 634999227 /nfs/dbraw/zinc/99/92/27/634999227.db2.gz BMLASJMSEWBHBM-YPAMNDHTSA-N 2 1 264.413 2.159 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903185112 635002591 /nfs/dbraw/zinc/00/25/91/635002591.db2.gz HNZQBVOXCCDOIE-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP C1CC1[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CO1 ZINC000903206100 635014943 /nfs/dbraw/zinc/01/49/43/635014943.db2.gz HGYDLWVGAXLIMR-RRHIJNFZSA-N 2 1 276.424 2.301 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000822952940 635034162 /nfs/dbraw/zinc/03/41/62/635034162.db2.gz PADLHMSWASHVAP-HNNXBMFYSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)[C@H]1CCOC1 ZINC000903385197 635095747 /nfs/dbraw/zinc/09/57/47/635095747.db2.gz WDWRJVSREAQXIQ-CWRNSKLLSA-N 2 1 277.412 2.089 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903427077 635112889 /nfs/dbraw/zinc/11/28/89/635112889.db2.gz SXBIFJJFJUSVHZ-OCCSQVGLSA-N 2 1 276.380 2.017 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000903434580 635116004 /nfs/dbraw/zinc/11/60/04/635116004.db2.gz IBUAJYPPROAFDT-BZZMCLGOSA-N 2 1 288.435 2.430 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@H](c3ccccc3F)C2)C1 ZINC000903434599 635116035 /nfs/dbraw/zinc/11/60/35/635116035.db2.gz ILFHTXPLJPSCFJ-ZENOOKHLSA-N 2 1 278.371 2.326 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCS[C@H]3CCCC[C@@H]32)C1 ZINC000903439754 635118600 /nfs/dbraw/zinc/11/86/00/635118600.db2.gz NVYAOYDJEKANSM-CRWXNKLISA-N 2 1 254.443 2.474 20 0 CEADMP CCSc1ccccc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000903458457 635123803 /nfs/dbraw/zinc/12/38/03/635123803.db2.gz AFMJWBYFXOISHS-AWEZNQCLSA-N 2 1 280.437 2.348 20 0 CEADMP CCSc1ccccc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000903458457 635123806 /nfs/dbraw/zinc/12/38/06/635123806.db2.gz AFMJWBYFXOISHS-AWEZNQCLSA-N 2 1 280.437 2.348 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(F)c1F ZINC000903459537 635124937 /nfs/dbraw/zinc/12/49/37/635124937.db2.gz VLVXASGZELQYRO-MXWKQRLJSA-N 2 1 254.324 2.471 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000903460386 635126221 /nfs/dbraw/zinc/12/62/21/635126221.db2.gz ABTQPALYSWRXJC-YIDVYQOGSA-N 2 1 266.429 2.393 20 0 CEADMP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)C[C@@H]21 ZINC000903453061 635136921 /nfs/dbraw/zinc/13/69/21/635136921.db2.gz XUBGSXDPYKGVCO-FQUUOJAGSA-N 2 1 270.367 2.353 20 0 CEADMP c1cc(CC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)sn1 ZINC000903453572 635137028 /nfs/dbraw/zinc/13/70/28/635137028.db2.gz CESRGJFYDVITRF-TZMCWYRMSA-N 2 1 265.426 2.150 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@H](CCc3ccccc3)C2)C1 ZINC000903454471 635138231 /nfs/dbraw/zinc/13/82/31/635138231.db2.gz CNZXTDZEJCPBMU-RCCFBDPRSA-N 2 1 288.435 2.447 20 0 CEADMP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCC2(CCCC2)O1 ZINC000903472655 635142755 /nfs/dbraw/zinc/14/27/55/635142755.db2.gz UGMGPFSCAXRCCB-UONOGXRCSA-N 2 1 264.413 2.352 20 0 CEADMP Cc1cncc([C@@H]2CCC[N@@H+]2C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903476444 635146599 /nfs/dbraw/zinc/14/65/99/635146599.db2.gz WWNBFZLDQHYBCL-KBMXLJTQSA-N 2 1 259.397 2.382 20 0 CEADMP Cc1csc([C@@H]2CC[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)n1 ZINC000903478302 635147348 /nfs/dbraw/zinc/14/73/48/635147348.db2.gz IDUXSJDKWZOFMO-UPJWGTAASA-N 2 1 265.426 2.368 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)C1CCCC1 ZINC000903481720 635149421 /nfs/dbraw/zinc/14/94/21/635149421.db2.gz KUDFROQDUJWMAC-CABCVRRESA-N 2 1 266.429 2.456 20 0 CEADMP CCC[N@@H+](CC1CC1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718187 635234057 /nfs/dbraw/zinc/23/40/57/635234057.db2.gz HZWOODWEDDIXKP-HNNXBMFYSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)CC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903721820 635234782 /nfs/dbraw/zinc/23/47/82/635234782.db2.gz FIFFUNWDQVXERU-JKSUJKDBSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C(C)C ZINC000903723129 635235992 /nfs/dbraw/zinc/23/59/92/635235992.db2.gz UOQDUHUYMRAIIL-GJZGRUSLSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)[C@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723557 635237299 /nfs/dbraw/zinc/23/72/99/635237299.db2.gz ILQUHDRHXMVREM-HUUCEWRRSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@@H+](CCc1ccccc1F)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723876 635237771 /nfs/dbraw/zinc/23/77/71/635237771.db2.gz YXCYSKYSOUGLKR-DOTOQJQBSA-N 2 1 292.398 2.069 20 0 CEADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000903725604 635238614 /nfs/dbraw/zinc/23/86/14/635238614.db2.gz DODNCQXWNZQBRH-QKPAOTATSA-N 2 1 264.413 2.020 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1C ZINC000903725872 635238835 /nfs/dbraw/zinc/23/88/35/635238835.db2.gz INTWEEILTFHBLH-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903731836 635241765 /nfs/dbraw/zinc/24/17/65/635241765.db2.gz AINKYSBUEGECHR-HUUCEWRRSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903734682 635250067 /nfs/dbraw/zinc/25/00/67/635250067.db2.gz UWLFCLNCSDULQQ-FXUDXRNXSA-N 2 1 266.429 2.266 20 0 CEADMP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC2(C1)CCCCC2 ZINC000903734585 635250282 /nfs/dbraw/zinc/25/02/82/635250282.db2.gz SEARBWZSRQYVMO-WBVHZDCISA-N 2 1 278.440 2.411 20 0 CEADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903733705 635250353 /nfs/dbraw/zinc/25/03/53/635250353.db2.gz MTEJYSBTKXBNOF-CAOSSQGBSA-N 2 1 298.496 2.361 20 0 CEADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000903733445 635250862 /nfs/dbraw/zinc/25/08/62/635250862.db2.gz KKNBFTXDLRQEEB-FZKCQIBNSA-N 2 1 296.480 2.115 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000903755270 635261067 /nfs/dbraw/zinc/26/10/67/635261067.db2.gz DNSBZVCPTOMTMO-XYJFISCASA-N 2 1 291.483 2.325 20 0 CEADMP COc1ccc(CC[N@@H+]2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903795489 635262032 /nfs/dbraw/zinc/26/20/32/635262032.db2.gz MNVJWKWHZYVBKW-WBVHZDCISA-N 2 1 274.408 2.441 20 0 CEADMP COc1ccc(CC[N@H+]2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903795489 635262034 /nfs/dbraw/zinc/26/20/34/635262034.db2.gz MNVJWKWHZYVBKW-WBVHZDCISA-N 2 1 274.408 2.441 20 0 CEADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903757529 635262061 /nfs/dbraw/zinc/26/20/61/635262061.db2.gz DGCRYTYQIOURHB-YJNKXOJESA-N 2 1 252.402 2.018 20 0 CEADMP C[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903781559 635266665 /nfs/dbraw/zinc/26/66/65/635266665.db2.gz UCEKMAQKJYGOCI-RWMBFGLXSA-N 2 1 292.345 2.029 20 0 CEADMP C[C@@H]1c2sccc2CC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903783998 635268948 /nfs/dbraw/zinc/26/89/48/635268948.db2.gz IRCXTTIIGXLRJO-XNRPHZJLSA-N 2 1 292.448 2.436 20 0 CEADMP C[C@@H]1C[C@H](C)CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903786853 635270192 /nfs/dbraw/zinc/27/01/92/635270192.db2.gz PIQKDEDZGOMRAW-LVQVYYBASA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC[C@@H]1C[NH3+] ZINC000903788739 635271127 /nfs/dbraw/zinc/27/11/27/635271127.db2.gz PMTOTEWEUOIBAP-FVCCEPFGSA-N 2 1 294.361 2.403 20 0 CEADMP NC[C@]12CC[C@H]1CCC[N@@H+]2C[C@H]1CCC2(CCC2)O1 ZINC000903802037 635278189 /nfs/dbraw/zinc/27/81/89/635278189.db2.gz QPYIHWYSJQLPKY-IIAWOOMASA-N 2 1 264.413 2.291 20 0 CEADMP NC[C@]12CC[C@H]1CCC[N@H+]2C[C@H]1CCC2(CCC2)O1 ZINC000903802037 635278194 /nfs/dbraw/zinc/27/81/94/635278194.db2.gz QPYIHWYSJQLPKY-IIAWOOMASA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2C[C@H]1CCC2(CCC2)O1 ZINC000903802037 635278197 /nfs/dbraw/zinc/27/81/97/635278197.db2.gz QPYIHWYSJQLPKY-IIAWOOMASA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2C[C@H]1CCC2(CCC2)O1 ZINC000903802037 635278201 /nfs/dbraw/zinc/27/82/01/635278201.db2.gz QPYIHWYSJQLPKY-IIAWOOMASA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@@H]2C[C@@]23CCOC3)CCC1 ZINC000903811234 635284916 /nfs/dbraw/zinc/28/49/16/635284916.db2.gz KFXBLSDDNIARKK-YQQAZPJKSA-N 2 1 278.440 2.397 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)C2 ZINC000903840463 635299681 /nfs/dbraw/zinc/29/96/81/635299681.db2.gz QVUNKGNAJRVGJE-FPYNETTCSA-N 2 1 292.345 2.298 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(Cl)n1)C2 ZINC000903843709 635302266 /nfs/dbraw/zinc/30/22/66/635302266.db2.gz QPGLMTPOTBKEBI-UMNHJUIQSA-N 2 1 251.761 2.047 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(Cl)n1)C2 ZINC000903843709 635302270 /nfs/dbraw/zinc/30/22/70/635302270.db2.gz QPGLMTPOTBKEBI-UMNHJUIQSA-N 2 1 251.761 2.047 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1ccccc1F)C2 ZINC000903850671 635304314 /nfs/dbraw/zinc/30/43/14/635304314.db2.gz XCPJCUOSQWTDPD-XQQFMLRXSA-N 2 1 264.344 2.016 20 0 CEADMP COc1ccccc1CCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858154 635308615 /nfs/dbraw/zinc/30/86/15/635308615.db2.gz HJJGCZGRSVQDPC-DOTOQJQBSA-N 2 1 274.408 2.441 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903858154 635308618 /nfs/dbraw/zinc/30/86/18/635308618.db2.gz HJJGCZGRSVQDPC-DOTOQJQBSA-N 2 1 274.408 2.441 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C3CC3)nn2C)[C@H](C)C1 ZINC000823938454 635309050 /nfs/dbraw/zinc/30/90/50/635309050.db2.gz ZINGQIAAMZIAOQ-IUODEOHRSA-N 2 1 276.428 2.117 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C3CC3)nn2C)[C@H](C)C1 ZINC000823938454 635309060 /nfs/dbraw/zinc/30/90/60/635309060.db2.gz ZINGQIAAMZIAOQ-IUODEOHRSA-N 2 1 276.428 2.117 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]([C@H](C)C(C)C)C2CC2)cnn1C ZINC000903873591 635321718 /nfs/dbraw/zinc/32/17/18/635321718.db2.gz UKETZEIWNLQYCX-HIFRSBDPSA-N 2 1 292.471 2.355 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H]2CC(C)C)cnn1C ZINC000903884364 635326250 /nfs/dbraw/zinc/32/62/50/635326250.db2.gz XTBRPNHQZZOLPU-WBVHZDCISA-N 2 1 292.471 2.356 20 0 CEADMP CC(C)(C)[C@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903914925 635328741 /nfs/dbraw/zinc/32/87/41/635328741.db2.gz MFECEZNKVLKFHZ-UONOGXRCSA-N 2 1 291.443 2.071 20 0 CEADMP CC(C)[C@H]1CCCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903894823 635329830 /nfs/dbraw/zinc/32/98/30/635329830.db2.gz FJDGWHVACDWNBJ-GOEBONIOSA-N 2 1 291.443 2.213 20 0 CEADMP [NH3+][C@@H](C[NH2+]CCOc1cccc(Cl)c1)CC(F)F ZINC000903922627 635351212 /nfs/dbraw/zinc/35/12/12/635351212.db2.gz AWOFRKXWFYERQS-SNVBAGLBSA-N 2 1 278.730 2.291 20 0 CEADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903930496 635356601 /nfs/dbraw/zinc/35/66/01/635356601.db2.gz YXNSRJKCUCJJPX-WCQYABFASA-N 2 1 271.355 2.365 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CCOCC2 ZINC000903931182 635357329 /nfs/dbraw/zinc/35/73/29/635357329.db2.gz AJHYBHUZLWLMBI-WZYMTQMTSA-N 2 1 278.440 2.408 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959794 635369716 /nfs/dbraw/zinc/36/97/16/635369716.db2.gz OLJLESKEUCXBOX-CQSZACIVSA-N 2 1 265.426 2.417 20 0 CEADMP Cc1ncsc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959794 635369720 /nfs/dbraw/zinc/36/97/20/635369720.db2.gz OLJLESKEUCXBOX-CQSZACIVSA-N 2 1 265.426 2.417 20 0 CEADMP COCc1ccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000903959500 635369991 /nfs/dbraw/zinc/36/99/91/635369991.db2.gz JAKOADAOKFYYGI-INIZCTEOSA-N 2 1 278.396 2.392 20 0 CEADMP COCc1ccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000903959500 635369995 /nfs/dbraw/zinc/36/99/95/635369995.db2.gz JAKOADAOKFYYGI-INIZCTEOSA-N 2 1 278.396 2.392 20 0 CEADMP CC(C)([NH3+])CC[NH2+]Cc1nccn1-c1ccccc1 ZINC000903939938 635372788 /nfs/dbraw/zinc/37/27/88/635372788.db2.gz QXQSVPXKDHAJFO-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1cc(N)cc[nH+]1 ZINC000903949755 635382712 /nfs/dbraw/zinc/38/27/12/635382712.db2.gz DPFLIDUDZNMSOV-KBXCAEBGSA-N 2 1 296.418 2.274 20 0 CEADMP Cc1cc(F)ccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903954576 635387413 /nfs/dbraw/zinc/38/74/13/635387413.db2.gz FRUHUUTYCBOEPJ-LBPRGKRZSA-N 2 1 272.314 2.469 20 0 CEADMP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973133 635391695 /nfs/dbraw/zinc/39/16/95/635391695.db2.gz OXIHNOBXRXFIGL-HIFRSBDPSA-N 2 1 294.464 2.427 20 0 CEADMP C[C@H](CCC1CC1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972787 635391734 /nfs/dbraw/zinc/39/17/34/635391734.db2.gz LKZFFTYOLJUING-UKRRQHHQSA-N 2 1 266.429 2.313 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CC[NH2+]C1 ZINC000903979123 635396136 /nfs/dbraw/zinc/39/61/36/635396136.db2.gz WDSMEBWRCRRGIF-QWRGUYRKSA-N 2 1 280.309 2.352 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904313398 635561438 /nfs/dbraw/zinc/56/14/38/635561438.db2.gz UAUPGWRSNZCZGN-KRWDZBQOSA-N 3 1 281.488 2.428 20 0 CEADMP CC(C)[N@H+](C)CC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904313398 635561443 /nfs/dbraw/zinc/56/14/43/635561443.db2.gz UAUPGWRSNZCZGN-KRWDZBQOSA-N 2 1 281.488 2.428 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904313398 635561445 /nfs/dbraw/zinc/56/14/45/635561445.db2.gz UAUPGWRSNZCZGN-KRWDZBQOSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@H](c3cccnc3)C2)CCC[NH2+]C1 ZINC000904373095 635593910 /nfs/dbraw/zinc/59/39/10/635593910.db2.gz ATOQKACGKAFFPO-JKSUJKDBSA-N 2 1 259.397 2.261 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCn3nc(C(C)(C)C)cc3C2)CC[NH2+]1 ZINC000904389504 635599050 /nfs/dbraw/zinc/59/90/50/635599050.db2.gz LOZRQSZHZKZLNT-KGLIPLIRSA-N 2 1 290.455 2.384 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)[C@@H]1CC[NH3+] ZINC000904375710 635601402 /nfs/dbraw/zinc/60/14/02/635601402.db2.gz GOGDAXHOLYMPEK-CZUORRHYSA-N 3 1 261.413 2.095 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000904378436 635602816 /nfs/dbraw/zinc/60/28/16/635602816.db2.gz CQEKONAPBHLCHN-KCQAQPDRSA-N 2 1 254.418 2.108 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000904378436 635602821 /nfs/dbraw/zinc/60/28/21/635602821.db2.gz CQEKONAPBHLCHN-KCQAQPDRSA-N 2 1 254.418 2.108 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)C1 ZINC000904379009 635603631 /nfs/dbraw/zinc/60/36/31/635603631.db2.gz PKIIMUVUNOOELN-XQLPTFJDSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCO3)C[C@H]1C[NH3+] ZINC000904385173 635607357 /nfs/dbraw/zinc/60/73/57/635607357.db2.gz UKRCXAKTPQBAKB-IUODEOHRSA-N 2 1 260.381 2.038 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)CCC[NH2+]C1 ZINC000904385394 635608683 /nfs/dbraw/zinc/60/86/83/635608683.db2.gz XGLKMLDVGZNTFL-RDBSUJKOSA-N 2 1 254.443 2.061 20 0 CEADMP COCC[N@H+](Cc1ccc(C)c(C)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904388232 635610097 /nfs/dbraw/zinc/61/00/97/635610097.db2.gz GOBDZNQACNNUKV-CALCHBBNSA-N 2 1 276.424 2.489 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000904405190 635612597 /nfs/dbraw/zinc/61/25/97/635612597.db2.gz GVLKABUGKOBIFS-DGCLKSJQSA-N 2 1 281.425 2.165 20 0 CEADMP Cc1ncc(C[N@H+]2CC[C@H](CC[NH3+])C2)n1-c1ccccc1 ZINC000904406344 635613442 /nfs/dbraw/zinc/61/34/42/635613442.db2.gz QHVOXHBFZWVVKB-HNNXBMFYSA-N 2 1 284.407 2.351 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Br)C1 ZINC000904406416 635614174 /nfs/dbraw/zinc/61/41/74/635614174.db2.gz SMFGJOVNFJEUCH-SNVBAGLBSA-N 2 1 299.212 2.325 20 0 CEADMP Cc1cc(C)cc(-n2ncc(C[N@H+]3CC[C@@H](CC[NH3+])C3)n2)c1 ZINC000904406070 635614185 /nfs/dbraw/zinc/61/41/85/635614185.db2.gz OPVBKCZZNCKMRL-OAHLLOKOSA-N 2 1 299.422 2.055 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000904409751 635615286 /nfs/dbraw/zinc/61/52/86/635615286.db2.gz HPLGMHFNZBQJHD-ZDUSSCGKSA-N 2 1 270.380 2.247 20 0 CEADMP C[C@@H]1C[N@@H+](CC2=Cc3ccccc3OC2)CC[C@H]1C[NH3+] ZINC000904409656 635615297 /nfs/dbraw/zinc/61/52/97/635615297.db2.gz FPOKWCXLRUPUJH-CJNGLKHVSA-N 2 1 272.392 2.379 20 0 CEADMP CCn1c2ccccc2nc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904410732 635617312 /nfs/dbraw/zinc/61/73/12/635617312.db2.gz GGWFNEBVCCLIMS-ZIAGYGMSSA-N 2 1 286.423 2.473 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)n21 ZINC000904411659 635619469 /nfs/dbraw/zinc/61/94/69/635619469.db2.gz OZMAJMLNZHOGCS-JSGCOSHPSA-N 2 1 272.396 2.059 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CC[C@H]1C[NH3+] ZINC000904412710 635619829 /nfs/dbraw/zinc/61/98/29/635619829.db2.gz YCMVPRYWCBUNJR-STQMWFEESA-N 2 1 290.436 2.351 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1OC ZINC000904412098 635620141 /nfs/dbraw/zinc/62/01/41/635620141.db2.gz PULNCFZBHVGCIB-OLZOCXBDSA-N 2 1 278.396 2.121 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@H](C3CCOCC3)C2)CC[NH2+]C1 ZINC000904434827 635628481 /nfs/dbraw/zinc/62/84/81/635628481.db2.gz YUKZIGSBDDXBGX-HOTGVXAUSA-N 2 1 266.429 2.125 20 0 CEADMP COc1ccccc1/C=C/C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000904417630 635631005 /nfs/dbraw/zinc/63/10/05/635631005.db2.gz KHNUGILGADSTEG-RLWBPUTGSA-N 2 1 260.381 2.235 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1C ZINC000904420592 635631724 /nfs/dbraw/zinc/63/17/24/635631724.db2.gz AUHCMTIULFYOKH-LSDHHAIUSA-N 2 1 260.381 2.045 20 0 CEADMP Clc1csc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904420094 635632067 /nfs/dbraw/zinc/63/20/67/635632067.db2.gz AQTZLNIWYIXWEW-VHSXEESVSA-N 2 1 256.802 2.443 20 0 CEADMP Clc1csc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904420094 635632072 /nfs/dbraw/zinc/63/20/72/635632072.db2.gz AQTZLNIWYIXWEW-VHSXEESVSA-N 2 1 256.802 2.443 20 0 CEADMP [NH3+]C1(C[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000904441915 635638269 /nfs/dbraw/zinc/63/82/69/635638269.db2.gz AINOTDJFGGODFV-UHFFFAOYSA-N 2 1 256.752 2.493 20 0 CEADMP CC[C@H](C)Oc1cc(C[NH2+]CC2([NH3+])CC2)ccc1OC ZINC000904450937 635641960 /nfs/dbraw/zinc/64/19/60/635641960.db2.gz UOHMKOCAKFCWDJ-LBPRGKRZSA-N 2 1 278.396 2.453 20 0 CEADMP CC[N@@H+](CCNc1nc(N)[nH+]c2c1CCCC2)C(C)C ZINC000825687038 635695066 /nfs/dbraw/zinc/69/50/66/635695066.db2.gz VZFTZQLWRAWRAR-UHFFFAOYSA-N 2 1 277.416 2.080 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnc4n3CCC4)C2)CC1 ZINC000825762583 635710605 /nfs/dbraw/zinc/71/06/05/635710605.db2.gz OLARTYREMZCFNU-UHFFFAOYSA-N 2 1 288.439 2.137 20 0 CEADMP Cc1[nH+]c(N)ccc1-c1ccc(CN2CC[NH2+]CC2)cc1 ZINC000904769644 635730439 /nfs/dbraw/zinc/73/04/39/635730439.db2.gz VBGNMNGTBTWBEW-UHFFFAOYSA-N 2 1 282.391 2.044 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000905059625 635805636 /nfs/dbraw/zinc/80/56/36/635805636.db2.gz PWKSAMUWQMEDIC-MRXNPFEDSA-N 2 1 273.380 2.213 20 0 CEADMP Cc1cccc([C@H](O)CN[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000905103655 635816908 /nfs/dbraw/zinc/81/69/08/635816908.db2.gz ZIONXBOKBIRNTH-DLBZAZTESA-N 2 1 274.408 2.102 20 0 CEADMP CC[C@](O)(C[NH2+]C[C@@H]1CC[N@@H+](CC(C)C)C1)C(F)(F)F ZINC000905161182 635862607 /nfs/dbraw/zinc/86/26/07/635862607.db2.gz UYRPBMGPRNWWNR-STQMWFEESA-N 2 1 296.377 2.257 20 0 CEADMP [NH3+]C1(c2noc([C@@H]3CCCCC34CC[NH2+]CC4)n2)CC1 ZINC000905330270 636235324 /nfs/dbraw/zinc/23/53/24/636235324.db2.gz SDFRSLSYGTZORQ-NSHDSACASA-N 2 1 276.384 2.045 20 0 CEADMP CCc1cc(N2CCCC[C@@]3(CC[NH2+]C3)C2)nc(C)[nH+]1 ZINC000905680428 636392532 /nfs/dbraw/zinc/39/25/32/636392532.db2.gz GWQYKIVQZKPXJW-INIZCTEOSA-N 2 1 274.412 2.317 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000906508748 636760616 /nfs/dbraw/zinc/76/06/16/636760616.db2.gz YBQHUHIOQHAANS-LJGSYFOKSA-N 2 1 261.188 2.090 20 0 CEADMP C[N@@H+](CCCn1ccnc1)C[C@@]1(O)CCc2ccccc21 ZINC000829365473 636834254 /nfs/dbraw/zinc/83/42/54/636834254.db2.gz GKBRZTXFXAWVMY-KRWDZBQOSA-N 2 1 285.391 2.039 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@]1(O)CCc2ccccc21 ZINC000829367131 636836068 /nfs/dbraw/zinc/83/60/68/636836068.db2.gz SHCPKXCDHNJXSC-WMZOPIPTSA-N 2 1 288.435 2.237 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@]1(O)CCc2ccccc21 ZINC000829367131 636836071 /nfs/dbraw/zinc/83/60/71/636836071.db2.gz SHCPKXCDHNJXSC-WMZOPIPTSA-N 2 1 288.435 2.237 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@]1(O)CCc2ccccc21 ZINC000829367131 636836074 /nfs/dbraw/zinc/83/60/74/636836074.db2.gz SHCPKXCDHNJXSC-WMZOPIPTSA-N 2 1 288.435 2.237 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000906794948 636854985 /nfs/dbraw/zinc/85/49/85/636854985.db2.gz XWFGUZBUCFBRIF-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000906794948 636854986 /nfs/dbraw/zinc/85/49/86/636854986.db2.gz XWFGUZBUCFBRIF-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000906794948 636854991 /nfs/dbraw/zinc/85/49/91/636854991.db2.gz XWFGUZBUCFBRIF-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C[N@@H+](C)C(C)C ZINC000829573221 636883621 /nfs/dbraw/zinc/88/36/21/636883621.db2.gz ORTKEXRPKPLHMI-UHFFFAOYSA-N 2 1 297.487 2.153 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[NH+](C)C[C@@H]2CC)C1 ZINC000907923740 637168885 /nfs/dbraw/zinc/16/88/85/637168885.db2.gz CKBBTRYZURBSJN-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[N@H+](C)C[C@@H]2CC)C1 ZINC000907923740 637168890 /nfs/dbraw/zinc/16/88/90/637168890.db2.gz CKBBTRYZURBSJN-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[N@@H+](C)C[C@@H]2CC)C1 ZINC000907923740 637168892 /nfs/dbraw/zinc/16/88/92/637168892.db2.gz CKBBTRYZURBSJN-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000908964431 637549985 /nfs/dbraw/zinc/54/99/85/637549985.db2.gz KYIZNJUEMPUHKL-KGLIPLIRSA-N 2 1 280.437 2.342 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000908964431 637549989 /nfs/dbraw/zinc/54/99/89/637549989.db2.gz KYIZNJUEMPUHKL-KGLIPLIRSA-N 2 1 280.437 2.342 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000834472970 637840492 /nfs/dbraw/zinc/84/04/92/637840492.db2.gz UMOPUFHWYMQSCL-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP CC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000910268783 637964722 /nfs/dbraw/zinc/96/47/22/637964722.db2.gz HGUSKNKRIWMAPS-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H](C(=O)N1CCC[N@@H+](CC)C[C@@H]1C)[NH+](CC)CC ZINC000910281693 637975521 /nfs/dbraw/zinc/97/55/21/637975521.db2.gz LMPCEYNYMCAKDL-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000834867451 637975628 /nfs/dbraw/zinc/97/56/28/637975628.db2.gz MTQSERZOWURYQE-OAHLLOKOSA-N 2 1 283.460 2.132 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH+](C)CC(C)C)C1 ZINC000911868909 638439425 /nfs/dbraw/zinc/43/94/25/638439425.db2.gz SKZCIXCLOIEUBX-INIZCTEOSA-N 2 1 297.487 2.203 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NCCC[N@H+](C)CC(C)C)C1 ZINC000911868909 638439427 /nfs/dbraw/zinc/43/94/27/638439427.db2.gz SKZCIXCLOIEUBX-INIZCTEOSA-N 2 1 297.487 2.203 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NCCC[N@@H+](C)CC(C)C)C1 ZINC000911868909 638439432 /nfs/dbraw/zinc/43/94/32/638439432.db2.gz SKZCIXCLOIEUBX-INIZCTEOSA-N 2 1 297.487 2.203 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)NC(C)(C)CCC[NH+](C)C ZINC000836856253 638728560 /nfs/dbraw/zinc/72/85/60/638728560.db2.gz JZHMVIMIPPSHGO-UHFFFAOYSA-N 2 1 294.443 2.208 20 0 CEADMP CCC[NH+]1CCC(NCC[N@@H+](CC)C(C)C)CC1 ZINC000156564507 639360964 /nfs/dbraw/zinc/36/09/64/639360964.db2.gz OIRFFSIGRXJBLN-UHFFFAOYSA-N 2 1 255.450 2.181 20 0 CEADMP ClC1(Cl)C[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000876934219 650492364 /nfs/dbraw/zinc/49/23/64/650492364.db2.gz DFPQLDWLNDYWEJ-OUAUKWLOSA-N 2 1 263.212 2.397 20 0 CEADMP ClC1(Cl)C[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000876934219 650492367 /nfs/dbraw/zinc/49/23/67/650492367.db2.gz DFPQLDWLNDYWEJ-OUAUKWLOSA-N 2 1 263.212 2.397 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)CC[C@@H]1C[NH3+] ZINC000165321816 639421674 /nfs/dbraw/zinc/42/16/74/639421674.db2.gz OIUINESWCAJNPY-CZUORRHYSA-N 2 1 274.408 2.081 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(CO)c2)c2ccccc21 ZINC000227456133 639591872 /nfs/dbraw/zinc/59/18/72/639591872.db2.gz GEGMWEXKXHWDLS-SJORKVTESA-N 2 1 268.360 2.413 20 0 CEADMP CC(C)c1ncc(C[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000841057738 639635622 /nfs/dbraw/zinc/63/56/22/639635622.db2.gz MUEXWTNMGSKHAH-LLVKDONJSA-N 2 1 253.415 2.498 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3cccs3)C[C@H]21 ZINC000228475374 639636322 /nfs/dbraw/zinc/63/63/22/639636322.db2.gz HGXJUZCAMXAFMY-IACUBPJLSA-N 2 1 250.411 2.350 20 0 CEADMP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CCO1 ZINC000841063847 639639768 /nfs/dbraw/zinc/63/97/68/639639768.db2.gz QRFAUHVRFFHTLP-YJNKXOJESA-N 2 1 254.418 2.168 20 0 CEADMP c1ccc([C@@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000842476266 640075523 /nfs/dbraw/zinc/07/55/23/640075523.db2.gz KKDAYTSKLXRFSR-LSDHHAIUSA-N 2 1 259.397 2.261 20 0 CEADMP COc1cnc(F)c(C[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000877058078 650552713 /nfs/dbraw/zinc/55/27/13/650552713.db2.gz UNVMFHQCFMHTNQ-UHFFFAOYSA-N 2 1 292.358 2.304 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000245677291 640135600 /nfs/dbraw/zinc/13/56/00/640135600.db2.gz LLKWVSOIKKZAHI-MQYQWHSLSA-N 2 1 266.385 2.164 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000245677291 640135605 /nfs/dbraw/zinc/13/56/05/640135605.db2.gz LLKWVSOIKKZAHI-MQYQWHSLSA-N 2 1 266.385 2.164 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)CCO1 ZINC000843051118 640254803 /nfs/dbraw/zinc/25/48/03/640254803.db2.gz ALBJEDMMQOFDPL-BARDWOONSA-N 2 1 254.418 2.251 20 0 CEADMP C([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCCOC1 ZINC000843098060 640279675 /nfs/dbraw/zinc/27/96/75/640279675.db2.gz URSULRMXDTUKJC-JKSUJKDBSA-N 2 1 266.429 2.125 20 0 CEADMP [NH3+]C1CCC([NH2+]Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000843103781 640281372 /nfs/dbraw/zinc/28/13/72/640281372.db2.gz CKTXYIHPPBOBOZ-UHFFFAOYSA-N 2 1 270.380 2.436 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000843113567 640284912 /nfs/dbraw/zinc/28/49/12/640284912.db2.gz XJSIVRCOHGWHTL-CYBMUJFWSA-N 2 1 260.381 2.278 20 0 CEADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1F ZINC000843120109 640288979 /nfs/dbraw/zinc/28/89/79/640288979.db2.gz XNZZZUQWZAUJQX-UHFFFAOYSA-N 2 1 278.371 2.410 20 0 CEADMP [NH3+]C1(c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)CC1 ZINC000843181797 640333437 /nfs/dbraw/zinc/33/34/37/640333437.db2.gz RGWAEZFHDJHXOO-UHFFFAOYSA-N 2 1 284.363 2.280 20 0 CEADMP CCCCOC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843387017 640413130 /nfs/dbraw/zinc/41/31/30/640413130.db2.gz PUUNTWCTCYWANM-GJZGRUSLSA-N 2 1 282.428 2.041 20 0 CEADMP CCCCCC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000843389457 640414540 /nfs/dbraw/zinc/41/45/40/640414540.db2.gz VXPRSFWRVJKFCO-AWEZNQCLSA-N 2 1 254.418 2.254 20 0 CEADMP Cn1ccnc1[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000843389784 640415003 /nfs/dbraw/zinc/41/50/03/640415003.db2.gz SOTWSBIHENEUTM-INIZCTEOSA-N 2 1 290.455 2.379 20 0 CEADMP CC[NH2+]CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000844202819 640630781 /nfs/dbraw/zinc/63/07/81/640630781.db2.gz ILOPORWEQMLAIM-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP COC(=O)[C@H](c1ccccc1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000154728415 640959579 /nfs/dbraw/zinc/95/95/79/640959579.db2.gz QRHSQYDVASSSAS-INIZCTEOSA-N 2 1 290.407 2.174 20 0 CEADMP COC(=O)[C@H](c1ccccc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154728415 640959583 /nfs/dbraw/zinc/95/95/83/640959583.db2.gz QRHSQYDVASSSAS-INIZCTEOSA-N 2 1 290.407 2.174 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000845943006 641133676 /nfs/dbraw/zinc/13/36/76/641133676.db2.gz XBEOFCBFWFKHCE-HOCLYGCPSA-N 2 1 299.422 2.230 20 0 CEADMP CC1(C)Cc2cccc(C[N@H+]3CC[C@H](C[NH3+])C3)c2O1 ZINC000080509992 641385478 /nfs/dbraw/zinc/38/54/78/641385478.db2.gz JHRBVSLVLDORCA-GFCCVEGCSA-N 2 1 260.381 2.181 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000070170910 641639835 /nfs/dbraw/zinc/63/98/35/641639835.db2.gz USVKNYPPIUIOAF-LLVKDONJSA-N 2 1 253.777 2.296 20 0 CEADMP CC(C)(C)SCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848534187 642039767 /nfs/dbraw/zinc/03/97/67/642039767.db2.gz NXHABHDJPZFKFA-AWEZNQCLSA-N 2 1 286.485 2.361 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=[NH2+])NC2CCC2)C1 ZINC000848988282 642210078 /nfs/dbraw/zinc/21/00/78/642210078.db2.gz QLFSJTVDUDVKAY-BETUJISGSA-N 2 1 266.433 2.021 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=[NH2+])NC2CC2)C1 ZINC000848989956 642211155 /nfs/dbraw/zinc/21/11/55/642211155.db2.gz NWSSYXXEUYEGJO-BETUJISGSA-N 2 1 266.433 2.021 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1CCCC1 ZINC000848990891 642212177 /nfs/dbraw/zinc/21/21/77/642212177.db2.gz BBGYDQIWLNMZLU-AWEZNQCLSA-N 2 1 266.433 2.165 20 0 CEADMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](C)[NH+](C)C)cc1 ZINC000848996538 642216145 /nfs/dbraw/zinc/21/61/45/642216145.db2.gz CPCDOUZOSXCTBI-GFCCVEGCSA-N 2 1 278.400 2.360 20 0 CEADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NCc2ccc(C)cc2)C1 ZINC000848997640 642216940 /nfs/dbraw/zinc/21/69/40/642216940.db2.gz WEACXPYPLXSCOO-MRXNPFEDSA-N 2 1 288.439 2.341 20 0 CEADMP CCc1ccc(NC(=[NH2+])NCCn2cc[nH+]c2C)cc1 ZINC000848999905 642218554 /nfs/dbraw/zinc/21/85/54/642218554.db2.gz IRSUUABIWPJOSR-UHFFFAOYSA-N 2 1 271.368 2.390 20 0 CEADMP CCCC[N@@H+](C)CCNC(=[NH2+])NCc1ccc(C)cc1 ZINC000849005803 642222662 /nfs/dbraw/zinc/22/26/62/642222662.db2.gz SFWSGFBOHKBUAE-UHFFFAOYSA-N 2 1 276.428 2.341 20 0 CEADMP c1nn(CC2CCC2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000921547271 642228330 /nfs/dbraw/zinc/22/83/30/642228330.db2.gz JGUKMNCMPZMLJO-SJORKVTESA-N 2 1 288.439 2.400 20 0 CEADMP c1nn(CC2CCC2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000921547271 642228335 /nfs/dbraw/zinc/22/83/35/642228335.db2.gz JGUKMNCMPZMLJO-SJORKVTESA-N 2 1 288.439 2.400 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921547011 642228457 /nfs/dbraw/zinc/22/84/57/642228457.db2.gz KHJZQVGGRVOJDY-ZDUSSCGKSA-N 2 1 262.401 2.040 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921547011 642228458 /nfs/dbraw/zinc/22/84/58/642228458.db2.gz KHJZQVGGRVOJDY-ZDUSSCGKSA-N 2 1 262.401 2.040 20 0 CEADMP [NH2+]=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CCCCC1 ZINC000849023090 642236825 /nfs/dbraw/zinc/23/68/25/642236825.db2.gz KTNQJHOYBLIYBF-CQSZACIVSA-N 2 1 264.417 2.014 20 0 CEADMP CC(C)CCNC(=[NH2+])NCCC[N@@H+](C)CC(C)C ZINC000849047067 642255432 /nfs/dbraw/zinc/25/54/32/642255432.db2.gz OTPPKGKVBKADFG-UHFFFAOYSA-N 2 1 256.438 2.124 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])NC1CCCCC1 ZINC000849047322 642256780 /nfs/dbraw/zinc/25/67/80/642256780.db2.gz VGJJAPPVSVJJMQ-UHFFFAOYSA-N 2 1 268.449 2.411 20 0 CEADMP c1csc([C@@H](CNC2=[NH+]CCCCN2)[NH+]2CCCC2)c1 ZINC000849214997 642285055 /nfs/dbraw/zinc/28/50/55/642285055.db2.gz HYZHSFXIBBOZEX-CYBMUJFWSA-N 2 1 292.452 2.214 20 0 CEADMP CC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997822908 642325105 /nfs/dbraw/zinc/32/51/05/642325105.db2.gz HMVHMSLNWRAVCE-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(Cl)nn3)C2)CC1 ZINC000877496981 650751555 /nfs/dbraw/zinc/75/15/55/650751555.db2.gz ARHUHAXXWCJBOQ-UHFFFAOYSA-N 2 1 294.830 2.438 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(Cl)nn3)C2)CC1 ZINC000877496981 650751556 /nfs/dbraw/zinc/75/15/56/650751556.db2.gz ARHUHAXXWCJBOQ-UHFFFAOYSA-N 2 1 294.830 2.438 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccns3)C2)CC1 ZINC000877497741 650751591 /nfs/dbraw/zinc/75/15/91/650751591.db2.gz ZLNAYBLAOVLBBD-UHFFFAOYSA-N 2 1 265.426 2.451 20 0 CEADMP CCC[NH2+]C1CC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998901566 642447876 /nfs/dbraw/zinc/44/78/76/642447876.db2.gz NPIIXTIBJGDSLY-HWOWSKLDSA-N 2 1 295.471 2.238 20 0 CEADMP CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000999553442 642497562 /nfs/dbraw/zinc/49/75/62/642497562.db2.gz AGINPSAYBGDAEP-AWEZNQCLSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCC3)[C@@H](C)C1 ZINC000921795452 642627117 /nfs/dbraw/zinc/62/71/17/642627117.db2.gz XJFVKBYJCMTFCG-BBRMVZONSA-N 2 1 274.408 2.441 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCC3)[C@@H](C)C1 ZINC000921795452 642627119 /nfs/dbraw/zinc/62/71/19/642627119.db2.gz XJFVKBYJCMTFCG-BBRMVZONSA-N 2 1 274.408 2.441 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921818492 642682207 /nfs/dbraw/zinc/68/22/07/642682207.db2.gz ONNUZEFMEAPAOQ-QWHCGFSZSA-N 2 1 289.379 2.496 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C=CCC2)[C@@H](C)C1 ZINC000850508881 642735368 /nfs/dbraw/zinc/73/53/68/642735368.db2.gz KWYLMJUFZRIOTJ-JYJNAYRXSA-N 2 1 266.429 2.432 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](O)c3ccccc32)CC1 ZINC000850529394 642742954 /nfs/dbraw/zinc/74/29/54/642742954.db2.gz PZWOEFCYMUFOEH-HOTGVXAUSA-N 2 1 260.381 2.239 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2SCCS2)[C@@H]2CCC[C@@H]21 ZINC000850561618 642753913 /nfs/dbraw/zinc/75/39/13/642753913.db2.gz POPJSGWLPWYNSW-SRVKXCTJSA-N 2 1 272.483 2.255 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC001003230812 642920979 /nfs/dbraw/zinc/92/09/79/642920979.db2.gz SBPMTOUSRJDCNJ-MRXNPFEDSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+](C)CC[C@H]([NH2+]C[C@@H]1CCSC1)c1cccnc1 ZINC000922633947 643172877 /nfs/dbraw/zinc/17/28/77/643172877.db2.gz VLSDNHCCDSRJGH-ZFWWWQNUSA-N 2 1 279.453 2.417 20 0 CEADMP C(Cc1nc2c(s1)CCC2)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922715927 643221717 /nfs/dbraw/zinc/22/17/17/643221717.db2.gz PGDLLIWBMYKCLM-CHWSQXEVSA-N 2 1 291.464 2.391 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(C)CCCCO1 ZINC000922821162 643283732 /nfs/dbraw/zinc/28/37/32/643283732.db2.gz VJJBUSVOHXMLOD-HNNXBMFYSA-N 2 1 263.385 2.196 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000923004185 643508675 /nfs/dbraw/zinc/50/86/75/643508675.db2.gz AQOMZRISXVPILC-OWLYRPNTSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000923004185 643508678 /nfs/dbraw/zinc/50/86/78/643508678.db2.gz AQOMZRISXVPILC-OWLYRPNTSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)Cc2ccccc21 ZINC000852742160 643528888 /nfs/dbraw/zinc/52/88/88/643528888.db2.gz DIAHYEPQYRXPRB-UKRRQHHQSA-N 2 1 272.392 2.127 20 0 CEADMP CO[C@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)C1CCCC1 ZINC000852745933 643531404 /nfs/dbraw/zinc/53/14/04/643531404.db2.gz AZRZORQMRXZQJR-OAHLLOKOSA-N 2 1 266.429 2.267 20 0 CEADMP c1c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)onc1C1CC1 ZINC000852746391 643531930 /nfs/dbraw/zinc/53/19/30/643531930.db2.gz KFQHBPKMQBVBAL-UHFFFAOYSA-N 2 1 261.369 2.128 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000852746390 643532276 /nfs/dbraw/zinc/53/22/76/643532276.db2.gz KFPAQPAKNQADTG-UHFFFAOYSA-N 2 1 294.420 2.110 20 0 CEADMP COc1ccc(C[N@@H+](C)CCCCCCC[NH3+])cn1 ZINC000852754383 643537849 /nfs/dbraw/zinc/53/78/49/643537849.db2.gz FRNFNYQDCDADOF-UHFFFAOYSA-N 2 1 265.401 2.431 20 0 CEADMP C[C@@H](CO)[C@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000852754533 643538313 /nfs/dbraw/zinc/53/83/13/643538313.db2.gz DTTUBZROMQZSTO-LSDHHAIUSA-N 2 1 256.434 2.379 20 0 CEADMP CCCOC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000852753917 643538394 /nfs/dbraw/zinc/53/83/94/643538394.db2.gz KROIIIWBVSOUJV-ZFWWWQNUSA-N 2 1 282.428 2.040 20 0 CEADMP C[N@@H+](CCC1SCCS1)C1CCC([NH3+])CC1 ZINC000853023436 643624050 /nfs/dbraw/zinc/62/40/50/643624050.db2.gz WZIHEMAXYCTXRF-UHFFFAOYSA-N 2 1 260.472 2.384 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923271262 643631438 /nfs/dbraw/zinc/63/14/38/643631438.db2.gz NGVZRCNSMRLPNL-INIZCTEOSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000923290162 643643496 /nfs/dbraw/zinc/64/34/96/643643496.db2.gz UULCEIKIGYXWNV-XIRDDKMYSA-N 2 1 276.424 2.039 20 0 CEADMP C[N@@H+](C[C@H](O)CCc1ccccc1)C1CCC([NH3+])CC1 ZINC000923294986 643646870 /nfs/dbraw/zinc/64/68/70/643646870.db2.gz RZKMBOZRWPUOBT-OFLPRAFFSA-N 2 1 276.424 2.182 20 0 CEADMP C[N@H+](CCC[NH2+]C1CC1)CCOc1ccccc1F ZINC000923301304 643649454 /nfs/dbraw/zinc/64/94/54/643649454.db2.gz HAVHMXCRIBINQD-UHFFFAOYSA-N 2 1 266.360 2.278 20 0 CEADMP C[N@@H+](CCC[NH2+]C1CC1)CCOc1ccccc1F ZINC000923301304 643649459 /nfs/dbraw/zinc/64/94/59/643649459.db2.gz HAVHMXCRIBINQD-UHFFFAOYSA-N 2 1 266.360 2.278 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC000853097432 643652593 /nfs/dbraw/zinc/65/25/93/643652593.db2.gz AZEPJVBRQVUANC-NVXWUHKLSA-N 2 1 291.439 2.217 20 0 CEADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000923316128 643654385 /nfs/dbraw/zinc/65/43/85/643654385.db2.gz SCORMTXKLAPLIR-OAHLLOKOSA-N 2 1 278.440 2.411 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1)c1ccccc1 ZINC000923311955 643658497 /nfs/dbraw/zinc/65/84/97/643658497.db2.gz COMSDLKOLUGIBC-ZBFHGGJFSA-N 2 1 274.408 2.100 20 0 CEADMP CCCCCC[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853114930 643663917 /nfs/dbraw/zinc/66/39/17/643663917.db2.gz BBCAGJVXENDMQJ-IRXDYDNUSA-N 2 1 298.471 2.161 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(F)cc3Cl)C[C@@H]12 ZINC000923333724 643666144 /nfs/dbraw/zinc/66/61/44/643666144.db2.gz RREALFOQMJAEMS-WZZPKWGDSA-N 2 1 298.789 2.182 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3Cl)C[C@@H]12 ZINC000923333724 643666148 /nfs/dbraw/zinc/66/61/48/643666148.db2.gz RREALFOQMJAEMS-WZZPKWGDSA-N 2 1 298.789 2.182 20 0 CEADMP C[N@@H+](C[C@@H](O)CCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000923335500 643666942 /nfs/dbraw/zinc/66/69/42/643666942.db2.gz QMVQXMJEWAJAPH-IRXDYDNUSA-N 2 1 276.424 2.054 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000923351137 643676886 /nfs/dbraw/zinc/67/68/86/643676886.db2.gz PKGAAYVJLKJLOJ-SQNIBIBYSA-N 2 1 290.451 2.458 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)sn1 ZINC000923357961 643676913 /nfs/dbraw/zinc/67/69/13/643676913.db2.gz BVCJAZUECQREDG-STQMWFEESA-N 2 1 295.452 2.363 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923363414 643679821 /nfs/dbraw/zinc/67/98/21/643679821.db2.gz XBJUZGUXVXQDDU-OOHRUWKFSA-N 3 1 291.483 2.229 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)C1CCCCC1 ZINC000923375226 643685020 /nfs/dbraw/zinc/68/50/20/643685020.db2.gz ZSYIEUPRZYUXAM-IAGOWNOFSA-N 2 1 276.424 2.087 20 0 CEADMP CCc1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)o1 ZINC000923392194 643691421 /nfs/dbraw/zinc/69/14/21/643691421.db2.gz IFYDVWQAPUIOKD-BPLDGKMQSA-N 2 1 293.411 2.098 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000923424599 643704111 /nfs/dbraw/zinc/70/41/11/643704111.db2.gz GUPFGOOBPIIPBL-RWMBFGLXSA-N 2 1 296.377 2.387 20 0 CEADMP C[C@]1(c2ccccc2)CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923427367 643706078 /nfs/dbraw/zinc/70/60/78/643706078.db2.gz RREZVOOCGJAMDJ-DLBZAZTESA-N 2 1 286.419 2.376 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000923485214 643733165 /nfs/dbraw/zinc/73/31/65/643733165.db2.gz QPHSMSNTBGFXSV-CABCVRRESA-N 2 1 289.423 2.301 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccnc2Cl)CC[C@@H]1C[NH3+] ZINC000923496437 643734149 /nfs/dbraw/zinc/73/41/49/643734149.db2.gz AAMUUGKOQSZKCY-GHMZBOCLSA-N 2 1 253.777 2.152 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)CC[C@H]1C[NH3+] ZINC000923495279 643734213 /nfs/dbraw/zinc/73/42/13/643734213.db2.gz ABZTYGHKQZZOSG-MNOVXSKESA-N 2 1 253.777 2.152 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc(Cl)n2)CC[C@@H]1C[NH3+] ZINC000923495283 643734269 /nfs/dbraw/zinc/73/42/69/643734269.db2.gz ABZTYGHKQZZOSG-WDEREUQCSA-N 2 1 253.777 2.152 20 0 CEADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923489617 643735464 /nfs/dbraw/zinc/73/54/64/643735464.db2.gz FLKLESBYIQQWGT-CQSZACIVSA-N 2 1 290.407 2.459 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3ccccc3c2)C1 ZINC000923490634 643736440 /nfs/dbraw/zinc/73/64/40/643736440.db2.gz FANJOQZYPNAOPT-CQSZACIVSA-N 2 1 297.402 2.449 20 0 CEADMP C[C@H]1C[N@H+](Cc2coc(C(C)(C)C)n2)CC[C@@H]1C[NH3+] ZINC000923494657 643738510 /nfs/dbraw/zinc/73/85/10/643738510.db2.gz ZNZOTKYSMFDPHR-NWDGAFQWSA-N 2 1 265.401 2.389 20 0 CEADMP C[C@H]1C[N@@H+](Cc2coc(C(C)(C)C)n2)CC[C@@H]1C[NH3+] ZINC000923494657 643738513 /nfs/dbraw/zinc/73/85/13/643738513.db2.gz ZNZOTKYSMFDPHR-NWDGAFQWSA-N 2 1 265.401 2.389 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923502995 643739176 /nfs/dbraw/zinc/73/91/76/643739176.db2.gz FWMBDQGNHPZRLI-ILXRZTDVSA-N 2 1 289.423 2.239 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)C1CCCC1 ZINC000923496786 643740044 /nfs/dbraw/zinc/74/00/44/643740044.db2.gz DNOOLNCHPPOUJH-CABCVRRESA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccco3)on2)CC[C@H]1C[NH3+] ZINC000923499169 643740425 /nfs/dbraw/zinc/74/04/25/643740425.db2.gz KTPAGFNWJGZQNZ-NEPJUHHUSA-N 2 1 275.352 2.351 20 0 CEADMP Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923509247 643745226 /nfs/dbraw/zinc/74/52/26/643745226.db2.gz OHKILXQXSKXCRA-GJZGRUSLSA-N 2 1 289.423 2.159 20 0 CEADMP FC1(F)CCCC[C@H]1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516334 643747587 /nfs/dbraw/zinc/74/75/87/643747587.db2.gz ZJEATOLYRLBMKA-XQQFMLRXSA-N 2 1 258.356 2.353 20 0 CEADMP [NH3+]CCCCCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536032 643754927 /nfs/dbraw/zinc/75/49/27/643754927.db2.gz MDKNBQGSTUXNKC-HNNXBMFYSA-N 3 1 253.434 2.114 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536032 643754932 /nfs/dbraw/zinc/75/49/32/643754932.db2.gz MDKNBQGSTUXNKC-HNNXBMFYSA-N 3 1 253.434 2.114 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCC=CO2)C1 ZINC000774908228 643811446 /nfs/dbraw/zinc/81/14/46/643811446.db2.gz HPWQYVDGBDWGFC-HOTGVXAUSA-N 2 1 264.413 2.343 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC000774908228 643811448 /nfs/dbraw/zinc/81/14/48/643811448.db2.gz HPWQYVDGBDWGFC-HOTGVXAUSA-N 2 1 264.413 2.343 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000774908228 643811453 /nfs/dbraw/zinc/81/14/53/643811453.db2.gz HPWQYVDGBDWGFC-HOTGVXAUSA-N 2 1 264.413 2.343 20 0 CEADMP Cc1nc(Cl)cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000853774000 643898422 /nfs/dbraw/zinc/89/84/22/643898422.db2.gz OWOSWYJNLXYLDZ-NSHDSACASA-N 2 1 299.850 2.122 20 0 CEADMP Cc1nc(Cl)cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000853774000 643898428 /nfs/dbraw/zinc/89/84/28/643898428.db2.gz OWOSWYJNLXYLDZ-NSHDSACASA-N 2 1 299.850 2.122 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4c(c3)COC4)CC[C@@H]21 ZINC000877741357 650886198 /nfs/dbraw/zinc/88/61/98/650886198.db2.gz AQGNXLIXLAXTGS-YOEHRIQHSA-N 2 1 272.392 2.243 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc4c(c3)COC4)CC[C@@H]21 ZINC000877741357 650886203 /nfs/dbraw/zinc/88/62/03/650886203.db2.gz AQGNXLIXLAXTGS-YOEHRIQHSA-N 2 1 272.392 2.243 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4c(c3)COC4)CC[C@@H]21 ZINC000877741357 650886206 /nfs/dbraw/zinc/88/62/06/650886206.db2.gz AQGNXLIXLAXTGS-YOEHRIQHSA-N 2 1 272.392 2.243 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)COC4)CC[C@@H]21 ZINC000877741357 650886211 /nfs/dbraw/zinc/88/62/11/650886211.db2.gz AQGNXLIXLAXTGS-YOEHRIQHSA-N 2 1 272.392 2.243 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000838860377 644052142 /nfs/dbraw/zinc/05/21/42/644052142.db2.gz VPFNSNGKICILIY-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000838860377 644052146 /nfs/dbraw/zinc/05/21/46/644052146.db2.gz VPFNSNGKICILIY-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000838860377 644052151 /nfs/dbraw/zinc/05/21/51/644052151.db2.gz VPFNSNGKICILIY-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP O[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000838976760 644106529 /nfs/dbraw/zinc/10/65/29/644106529.db2.gz NDUMPWYASALTTR-INIZCTEOSA-N 2 1 289.423 2.170 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCCCCCO ZINC000749547515 644271894 /nfs/dbraw/zinc/27/18/94/644271894.db2.gz XXKUWELWZZRJBH-BRWVUGGUSA-N 2 1 298.471 2.113 20 0 CEADMP COc1ccc(C[N@H+](C)C[C@]2(C)CC[NH2+]C2)cc1F ZINC000843060003 644791059 /nfs/dbraw/zinc/79/10/59/644791059.db2.gz AIRYYFMNNUIKQL-OAHLLOKOSA-N 2 1 266.360 2.266 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)cc1F ZINC000843060003 644791064 /nfs/dbraw/zinc/79/10/64/644791064.db2.gz AIRYYFMNNUIKQL-OAHLLOKOSA-N 2 1 266.360 2.266 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857854315 644981772 /nfs/dbraw/zinc/98/17/72/644981772.db2.gz ZQJATJLWKWNSLM-RISCZKNCSA-N 2 1 273.384 2.218 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000857868929 644989370 /nfs/dbraw/zinc/98/93/70/644989370.db2.gz GMTKQGVKIGMMSP-TZMCWYRMSA-N 2 1 262.401 2.109 20 0 CEADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC000857868929 644989372 /nfs/dbraw/zinc/98/93/72/644989372.db2.gz GMTKQGVKIGMMSP-TZMCWYRMSA-N 2 1 262.401 2.109 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC000857868929 644989378 /nfs/dbraw/zinc/98/93/78/644989378.db2.gz GMTKQGVKIGMMSP-TZMCWYRMSA-N 2 1 262.401 2.109 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2cccc(F)c2)CC1(C)C ZINC000858110256 645064392 /nfs/dbraw/zinc/06/43/92/645064392.db2.gz OFACBJFLWOTDBQ-CABCVRRESA-N 2 1 280.387 2.322 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)CC1(C)C ZINC000858193743 645084986 /nfs/dbraw/zinc/08/49/86/645084986.db2.gz IZRDPUXERRPZJU-SCRDCRAPSA-N 2 1 288.382 2.263 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2(O)CCCCC2)CC1 ZINC000759978363 645099182 /nfs/dbraw/zinc/09/91/82/645099182.db2.gz ULYWOMQNSNQJQY-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP C(C[NH+]1CCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000760875861 645206039 /nfs/dbraw/zinc/20/60/39/645206039.db2.gz OUMQVAROFKYGLI-RDJZCZTQSA-N 2 1 277.456 2.031 20 0 CEADMP CC(C)[NH+](CCSCC[NH+]1CCOCC1)C(C)C ZINC000762203555 645383732 /nfs/dbraw/zinc/38/37/32/645383732.db2.gz GIKKHGAMMVBNSV-UHFFFAOYSA-N 2 1 274.474 2.171 20 0 CEADMP C([C@H]1CC[N@@H+](C[C@H]2C[C@H]3CCC[C@H]3O2)C1)[NH+]1CCCC1 ZINC000878125053 651007683 /nfs/dbraw/zinc/00/76/83/651007683.db2.gz MESWIYLUBNBBEI-QBPKDAKJSA-N 2 1 278.440 2.362 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000878133228 651010129 /nfs/dbraw/zinc/01/01/29/651010129.db2.gz GWMJHXIBGASFQE-HRCADAONSA-N 2 1 266.429 2.219 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H](OC)C2)C[C@H]1C ZINC000878162691 651020092 /nfs/dbraw/zinc/02/00/92/651020092.db2.gz IAPDHMGYDOQMKX-TUVASFSCSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H]2C[C@@H](OC)C2)C[C@H]1C ZINC000878162691 651020094 /nfs/dbraw/zinc/02/00/94/651020094.db2.gz IAPDHMGYDOQMKX-TUVASFSCSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H](OC)C2)C[C@H]1C ZINC000878162691 651020096 /nfs/dbraw/zinc/02/00/96/651020096.db2.gz IAPDHMGYDOQMKX-TUVASFSCSA-N 2 1 254.418 2.216 20 0 CEADMP CCCCC[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878199612 651034630 /nfs/dbraw/zinc/03/46/30/651034630.db2.gz FDTFPWHCVBDIMH-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCN2CCc3ccccc32)CC[N@H+]1C ZINC000765415545 645765682 /nfs/dbraw/zinc/76/56/82/645765682.db2.gz FUSGGAYDXFVVHI-GDBMZVCRSA-N 2 1 273.424 2.121 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCN2CCc3ccccc32)[C@@H](C)C1 ZINC000765415549 645766168 /nfs/dbraw/zinc/76/61/68/645766168.db2.gz FYGJSNLAWYAJGG-DOTOQJQBSA-N 2 1 287.451 2.369 20 0 CEADMP CC(C)C[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878269414 651049652 /nfs/dbraw/zinc/04/96/52/651049652.db2.gz NVZMGBJHDISTMN-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1conc1C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000878284766 651052806 /nfs/dbraw/zinc/05/28/06/651052806.db2.gz VNTFTCNNKURFDE-FZMZJTMJSA-N 2 1 260.341 2.263 20 0 CEADMP CC[NH+](CC)CC1CCN(c2nc(N(C)C)cc[nH+]2)CC1 ZINC000770443663 646392641 /nfs/dbraw/zinc/39/26/41/646392641.db2.gz MADKUBXWJRCTRT-UHFFFAOYSA-N 2 1 291.443 2.101 20 0 CEADMP CC(C)[NH+](CCCNc1nc(N(C)C)cc[nH+]1)C(C)C ZINC000770460962 646395192 /nfs/dbraw/zinc/39/51/92/646395192.db2.gz LYHSHQNRYJJGKR-UHFFFAOYSA-N 2 1 279.432 2.463 20 0 CEADMP Cc1c[nH]c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000862352309 646407021 /nfs/dbraw/zinc/40/70/21/646407021.db2.gz CTXJOYKJELTTHP-UHFFFAOYSA-N 2 1 262.401 2.026 20 0 CEADMP Cc1ncc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000773083683 646704739 /nfs/dbraw/zinc/70/47/39/646704739.db2.gz VDASYGSIRFZBPS-STQMWFEESA-N 2 1 265.426 2.210 20 0 CEADMP CCOc1cc(F)cc(C[NH2+]CCC[NH+](C)C)c1 ZINC000865397728 647273142 /nfs/dbraw/zinc/27/31/42/647273142.db2.gz KGFZYBRDXIMRKY-UHFFFAOYSA-N 2 1 254.349 2.266 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865456833 647302055 /nfs/dbraw/zinc/30/20/55/647302055.db2.gz SVIGVAWCXVSVNB-JTQLQIEISA-N 2 1 271.767 2.306 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865456833 647302059 /nfs/dbraw/zinc/30/20/59/647302059.db2.gz SVIGVAWCXVSVNB-JTQLQIEISA-N 2 1 271.767 2.306 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)CC1(c2ccccc2)CC1 ZINC000781930063 647573232 /nfs/dbraw/zinc/57/32/32/647573232.db2.gz QCMWVJNNXQWAMF-KRWDZBQOSA-N 2 1 288.435 2.107 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC1(c2ccccc2)CC1 ZINC000781930063 647573237 /nfs/dbraw/zinc/57/32/37/647573237.db2.gz QCMWVJNNXQWAMF-KRWDZBQOSA-N 2 1 288.435 2.107 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000866248325 647693564 /nfs/dbraw/zinc/69/35/64/647693564.db2.gz MWTBQAVXVIDQQW-QXSJWSMHSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000783220404 647695463 /nfs/dbraw/zinc/69/54/63/647695463.db2.gz DTHSZWDXESBHME-MAUKXSAKSA-N 2 1 287.451 2.322 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000866361177 647756069 /nfs/dbraw/zinc/75/60/69/647756069.db2.gz KQYPIQVNOIAECY-ODIFPOPNSA-N 2 1 297.487 2.391 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000866361177 647756071 /nfs/dbraw/zinc/75/60/71/647756071.db2.gz KQYPIQVNOIAECY-ODIFPOPNSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2c3ccccc3CN2C)CC[N@H+]1C ZINC000866563540 647826402 /nfs/dbraw/zinc/82/64/02/647826402.db2.gz NEOMFYZRJYMEAT-UKPHBRMFSA-N 2 1 273.424 2.245 20 0 CEADMP Cn1cc(C(F)F)c(CN[C@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000866568252 647828165 /nfs/dbraw/zinc/82/81/65/647828165.db2.gz SANJONUHOHLPIC-OSMZGAPFSA-N 2 1 298.381 2.320 20 0 CEADMP Cn1cc(C(F)F)c(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000866568252 647828170 /nfs/dbraw/zinc/82/81/70/647828170.db2.gz SANJONUHOHLPIC-OSMZGAPFSA-N 2 1 298.381 2.320 20 0 CEADMP Cn1cc(C(F)F)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000866568252 647828179 /nfs/dbraw/zinc/82/81/79/647828179.db2.gz SANJONUHOHLPIC-OSMZGAPFSA-N 2 1 298.381 2.320 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3c([nH]c2=O)CCCC3)CC[N@@H+]1C ZINC000866641054 647852656 /nfs/dbraw/zinc/85/26/56/647852656.db2.gz MYDYAFIQMARUPG-WFASDCNBSA-N 2 1 289.423 2.238 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3c([nH]c2=O)CCCC3)CC[N@H+]1C ZINC000866641054 647852658 /nfs/dbraw/zinc/85/26/58/647852658.db2.gz MYDYAFIQMARUPG-WFASDCNBSA-N 2 1 289.423 2.238 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866704858 647876432 /nfs/dbraw/zinc/87/64/32/647876432.db2.gz YRHWFDBTCDJPFJ-GJZGRUSLSA-N 2 1 268.470 2.451 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706385 647877002 /nfs/dbraw/zinc/87/70/02/647877002.db2.gz HRDFAUXITLWQQB-MRXNPFEDSA-N 2 1 284.444 2.417 20 0 CEADMP OCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000866727267 647885030 /nfs/dbraw/zinc/88/50/30/647885030.db2.gz IRHVXDPVNZDRTA-WZYMTQMTSA-N 2 1 266.429 2.002 20 0 CEADMP Fc1cccc2c1C[N@@H+](CC[C@@H]1CC[NH2+]C1)CCO2 ZINC000866727950 647885341 /nfs/dbraw/zinc/88/53/41/647885341.db2.gz VFQHTXPQKGDJOL-LBPRGKRZSA-N 2 1 264.344 2.020 20 0 CEADMP COc1ccc([C@H](CO)[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000788484507 648192944 /nfs/dbraw/zinc/19/29/44/648192944.db2.gz ZCFPGYLFEJNWLH-KRWDZBQOSA-N 2 1 292.423 2.002 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc[nH]c(=O)c1 ZINC000791133491 648483737 /nfs/dbraw/zinc/48/37/37/648483737.db2.gz BRBBXAATCDIKOR-UBHSHLNASA-N 2 1 261.369 2.065 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc[nH]c(=O)c1 ZINC000791133491 648483742 /nfs/dbraw/zinc/48/37/42/648483742.db2.gz BRBBXAATCDIKOR-UBHSHLNASA-N 2 1 261.369 2.065 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccc(C)c(C(=O)OC)c2)CC[C@H]1[NH3+] ZINC000872143444 649292796 /nfs/dbraw/zinc/29/27/96/649292796.db2.gz MLPQZJYMHJHCGV-GOEBONIOSA-N 2 1 290.407 2.341 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(C)c(C(=O)OC)c2)CC[C@H]1[NH3+] ZINC000872143444 649292799 /nfs/dbraw/zinc/29/27/99/649292799.db2.gz MLPQZJYMHJHCGV-GOEBONIOSA-N 2 1 290.407 2.341 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)CO2)[C@@H]1CC[NH3+] ZINC000872144262 649294427 /nfs/dbraw/zinc/29/44/27/649294427.db2.gz DXKAANWNZVFVCU-QLFBSQMISA-N 2 1 266.429 2.395 20 0 CEADMP CC(C)OC[C@@H](O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000872205628 649315153 /nfs/dbraw/zinc/31/51/53/649315153.db2.gz KUJFBSPSLFQUDO-VYDXJSESSA-N 2 1 298.471 2.015 20 0 CEADMP O[C@@]1(C[NH2+][C@@H]2CC23CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000872251613 649329202 /nfs/dbraw/zinc/32/92/02/649329202.db2.gz PKDNFTBXCNSBOE-SJLPKXTDSA-N 2 1 286.419 2.156 20 0 CEADMP O[C@@]1(C[NH2+][C@@H]2CC23CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000872251613 649329205 /nfs/dbraw/zinc/32/92/05/649329205.db2.gz PKDNFTBXCNSBOE-SJLPKXTDSA-N 2 1 286.419 2.156 20 0 CEADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H](CO)C(C)(C)C ZINC000873208405 649589557 /nfs/dbraw/zinc/58/95/57/649589557.db2.gz VOIYOTWJQGXJBY-AWEZNQCLSA-N 2 1 282.453 2.233 20 0 CEADMP CC[C@@]1(CO)CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873210690 649590603 /nfs/dbraw/zinc/59/06/03/649590603.db2.gz OMVGTBWZKUAAIR-MRXNPFEDSA-N 2 1 294.464 2.378 20 0 CEADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000873224175 649597633 /nfs/dbraw/zinc/59/76/33/649597633.db2.gz ZAOQPPQHWMBEKC-KRWDZBQOSA-N 3 1 281.488 2.286 20 0 CEADMP C[C@@H](O)c1ncc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223659 649597810 /nfs/dbraw/zinc/59/78/10/649597810.db2.gz QSJZVKXHSAUXLB-ABAIWWIYSA-N 2 1 297.468 2.393 20 0 CEADMP C[C@@H](O)c1ncc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223659 649597814 /nfs/dbraw/zinc/59/78/14/649597814.db2.gz QSJZVKXHSAUXLB-ABAIWWIYSA-N 2 1 297.468 2.393 20 0 CEADMP COc1cc(C)c(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1OC ZINC000873229431 649600345 /nfs/dbraw/zinc/60/03/45/649600345.db2.gz YQEGDPPIEPLZEG-WMLDXEAASA-N 2 1 290.407 2.054 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1OC ZINC000873229431 649600346 /nfs/dbraw/zinc/60/03/46/649600346.db2.gz YQEGDPPIEPLZEG-WMLDXEAASA-N 2 1 290.407 2.054 20 0 CEADMP c1cc(CCC[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc2c1OCC2 ZINC000873231085 649602974 /nfs/dbraw/zinc/60/29/74/649602974.db2.gz GZVCBAUYEFPSOX-MSOLQXFVSA-N 2 1 286.419 2.428 20 0 CEADMP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCCC[C@@H]2N)CC1 ZINC000873248544 649608648 /nfs/dbraw/zinc/60/86/48/649608648.db2.gz GEDDUCSZHKRIIW-PYBGIAKNSA-N 2 1 267.461 2.499 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000873251797 649609881 /nfs/dbraw/zinc/60/98/81/649609881.db2.gz OGDRNSOZNMHZID-DDBAPUKQSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000873251797 649609883 /nfs/dbraw/zinc/60/98/83/649609883.db2.gz OGDRNSOZNMHZID-DDBAPUKQSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000873258004 649613375 /nfs/dbraw/zinc/61/33/75/649613375.db2.gz WQHYCPXHXKDQRC-DKIMLUQUSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000873258004 649613376 /nfs/dbraw/zinc/61/33/76/649613376.db2.gz WQHYCPXHXKDQRC-DKIMLUQUSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@H]([NH2+]CCc1cn(C)c2ncccc12)c1c[nH+]ccc1N ZINC000873262554 649615869 /nfs/dbraw/zinc/61/58/69/649615869.db2.gz NGSLQBKTYPPSRZ-LBPRGKRZSA-N 2 1 295.390 2.274 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1noc2cc(F)ccc12 ZINC000873276024 649621627 /nfs/dbraw/zinc/62/16/27/649621627.db2.gz PVMITSQBLFMRPZ-SKDRFNHKSA-N 2 1 263.316 2.184 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2cc(N)cc(F)c2)CC1 ZINC000873288088 649627379 /nfs/dbraw/zinc/62/73/79/649627379.db2.gz UVUIREABHXAEFA-UHFFFAOYSA-N 2 1 265.376 2.370 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873296405 649631998 /nfs/dbraw/zinc/63/19/98/649631998.db2.gz YZQISHRSOCQVCM-KKOFPSKJSA-N 2 1 259.397 2.217 20 0 CEADMP C[C@@H]1C[N@@H+](CCCC2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878324282 651067751 /nfs/dbraw/zinc/06/77/51/651067751.db2.gz KGPFIGJZAMXXRG-NVXWUHKLSA-N 2 1 279.472 2.134 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878549082 651127126 /nfs/dbraw/zinc/12/71/26/651127126.db2.gz AAWAWBNXVPEBJB-PMPSAXMXSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878549082 651127128 /nfs/dbraw/zinc/12/71/28/651127128.db2.gz AAWAWBNXVPEBJB-PMPSAXMXSA-N 2 1 266.429 2.362 20 0 CEADMP CO[C@@H]1CC[C@@H]([N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000878747067 651178468 /nfs/dbraw/zinc/17/84/68/651178468.db2.gz HGVYQMOXQWLLBQ-HZPDHXFCSA-N 2 1 275.396 2.161 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CC[C@H](C)C1 ZINC000879126967 651247548 /nfs/dbraw/zinc/24/75/48/651247548.db2.gz PIXGJOPDFPGZFC-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@H]1CC[C@@H](C)[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000879320541 651284526 /nfs/dbraw/zinc/28/45/26/651284526.db2.gz HNOOOLGSSUNWJB-HIFRSBDPSA-N 2 1 265.401 2.471 20 0 CEADMP CO[C@H]1CC[C@@H](C)[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000879320541 651284528 /nfs/dbraw/zinc/28/45/28/651284528.db2.gz HNOOOLGSSUNWJB-HIFRSBDPSA-N 2 1 265.401 2.471 20 0 CEADMP CO[C@@H]1CC[C@@H](C)[NH+](CCC[N@H+]2C[C@H](OC)CC[C@@H]2C)C1 ZINC000879321181 651284655 /nfs/dbraw/zinc/28/46/55/651284655.db2.gz KTPLZJKIHWUUAF-YYIAUSFCSA-N 2 1 298.471 2.375 20 0 CEADMP CO[C@@H]1CC[C@H](C)[NH+](CCC[N@@H+]2C[C@H](OC)CC[C@H]2C)C1 ZINC000879321181 651284657 /nfs/dbraw/zinc/28/46/57/651284657.db2.gz KTPLZJKIHWUUAF-YYIAUSFCSA-N 2 1 298.471 2.375 20 0 CEADMP CO[C@@H]1CC[C@H](C)[NH+](CCC[N@H+]2C[C@H](OC)CC[C@H]2C)C1 ZINC000879321181 651284661 /nfs/dbraw/zinc/28/46/61/651284661.db2.gz KTPLZJKIHWUUAF-YYIAUSFCSA-N 2 1 298.471 2.375 20 0 CEADMP Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H](O)CN1CCCC1 ZINC000879383144 651295361 /nfs/dbraw/zinc/29/53/61/651295361.db2.gz CMAQIZXXZOQVJZ-JKSUJKDBSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H](O)CN1CCCC1 ZINC000879383144 651295365 /nfs/dbraw/zinc/29/53/65/651295365.db2.gz CMAQIZXXZOQVJZ-JKSUJKDBSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000879383144 651295368 /nfs/dbraw/zinc/29/53/68/651295368.db2.gz CMAQIZXXZOQVJZ-JKSUJKDBSA-N 2 1 276.424 2.445 20 0 CEADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000879383144 651295370 /nfs/dbraw/zinc/29/53/70/651295370.db2.gz CMAQIZXXZOQVJZ-JKSUJKDBSA-N 2 1 276.424 2.445 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCc3cccs3)CC[C@H]21 ZINC000879572104 651323936 /nfs/dbraw/zinc/32/39/36/651323936.db2.gz FCLNEEKTQLYIKH-GXTWGEPZSA-N 2 1 250.411 2.317 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCc3cccs3)CC[C@H]21 ZINC000879572104 651323937 /nfs/dbraw/zinc/32/39/37/651323937.db2.gz FCLNEEKTQLYIKH-GXTWGEPZSA-N 2 1 250.411 2.317 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3cccs3)CC[C@H]21 ZINC000879572104 651323938 /nfs/dbraw/zinc/32/39/38/651323938.db2.gz FCLNEEKTQLYIKH-GXTWGEPZSA-N 2 1 250.411 2.317 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCc3cccs3)CC[C@@H]21 ZINC000879572105 651324362 /nfs/dbraw/zinc/32/43/62/651324362.db2.gz FCLNEEKTQLYIKH-JSGCOSHPSA-N 2 1 250.411 2.317 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCc3cccs3)CC[C@@H]21 ZINC000879572105 651324364 /nfs/dbraw/zinc/32/43/64/651324364.db2.gz FCLNEEKTQLYIKH-JSGCOSHPSA-N 2 1 250.411 2.317 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3cccs3)CC[C@@H]21 ZINC000879572105 651324366 /nfs/dbraw/zinc/32/43/66/651324366.db2.gz FCLNEEKTQLYIKH-JSGCOSHPSA-N 2 1 250.411 2.317 20 0 CEADMP CCOC(=O)CCCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573033 651324565 /nfs/dbraw/zinc/32/45/65/651324565.db2.gz LALNWWCXJXDUOV-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573033 651324566 /nfs/dbraw/zinc/32/45/66/651324566.db2.gz LALNWWCXJXDUOV-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573033 651324568 /nfs/dbraw/zinc/32/45/68/651324568.db2.gz LALNWWCXJXDUOV-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573033 651324572 /nfs/dbraw/zinc/32/45/72/651324572.db2.gz LALNWWCXJXDUOV-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(Cc3cccc4nsnc43)CC[C@@H]21 ZINC000879577583 651325404 /nfs/dbraw/zinc/32/54/04/651325404.db2.gz YQRAMUDEMOZYBF-RISCZKNCSA-N 2 1 288.420 2.217 20 0 CEADMP C[N@@H+](CCN1CC[C@@H]2[C@@H]1CCC[NH+]2C)Cc1ccccc1 ZINC000880140635 651390914 /nfs/dbraw/zinc/39/09/14/651390914.db2.gz CHBOAZWCZRWCPB-MSOLQXFVSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+](CCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)Cc1ccccc1 ZINC000880140635 651390915 /nfs/dbraw/zinc/39/09/15/651390915.db2.gz CHBOAZWCZRWCPB-MSOLQXFVSA-N 2 1 287.451 2.287 20 0 CEADMP C[NH+](CCN1CC[C@@H]2[C@@H]1CCC[N@H+]2C)Cc1ccccc1 ZINC000880140635 651390916 /nfs/dbraw/zinc/39/09/16/651390916.db2.gz CHBOAZWCZRWCPB-MSOLQXFVSA-N 2 1 287.451 2.287 20 0 CEADMP CO[C@@H]1CC[C@@H]([N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC000880259084 651411886 /nfs/dbraw/zinc/41/18/86/651411886.db2.gz MIXGTTVHRBAONJ-NUEKZKHPSA-N 2 1 275.396 2.160 20 0 CEADMP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)nc1 ZINC000880261013 651412191 /nfs/dbraw/zinc/41/21/91/651412191.db2.gz SGDZOYCCAXXESL-OAHLLOKOSA-N 2 1 282.391 2.496 20 0 CEADMP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)nc1 ZINC000880261013 651412193 /nfs/dbraw/zinc/41/21/93/651412193.db2.gz SGDZOYCCAXXESL-OAHLLOKOSA-N 2 1 282.391 2.496 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000880568815 651461848 /nfs/dbraw/zinc/46/18/48/651461848.db2.gz DDOROUGQVOLVEU-QGZVFWFLSA-N 2 1 295.390 2.419 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c2c(c1)COCC2 ZINC000882892986 652253408 /nfs/dbraw/zinc/25/34/08/652253408.db2.gz JXJYTUXCCBLPGX-MSOLQXFVSA-N 2 1 286.419 2.476 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c2c(c1)COCC2 ZINC000882892986 652253410 /nfs/dbraw/zinc/25/34/10/652253410.db2.gz JXJYTUXCCBLPGX-MSOLQXFVSA-N 2 1 286.419 2.476 20 0 CEADMP O=c1oc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2o1 ZINC000882897541 652257749 /nfs/dbraw/zinc/25/77/49/652257749.db2.gz LTPXLRHJHMQGBV-OLZOCXBDSA-N 2 1 288.347 2.102 20 0 CEADMP O=c1oc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2o1 ZINC000882897541 652257750 /nfs/dbraw/zinc/25/77/50/652257750.db2.gz LTPXLRHJHMQGBV-OLZOCXBDSA-N 2 1 288.347 2.102 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000882923293 652270682 /nfs/dbraw/zinc/27/06/82/652270682.db2.gz AUJIVUPADHMALZ-MIFYACCESA-N 2 1 266.429 2.266 20 0 CEADMP CC1(C)C[C@]1(C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000883259880 652416826 /nfs/dbraw/zinc/41/68/26/652416826.db2.gz BZZNIPYMENWGQW-GDBMZVCRSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCSC1 ZINC000131582895 652438061 /nfs/dbraw/zinc/43/80/61/652438061.db2.gz SBBQOSIYKXZCEN-ZDUSSCGKSA-N 2 1 253.415 2.457 20 0 CEADMP Cc1n[nH]cc1CN[C@H](Cn1ccnc1)c1ccccc1 ZINC000883398091 652455569 /nfs/dbraw/zinc/45/55/69/652455569.db2.gz CSMHDYKEKKGZLF-MRXNPFEDSA-N 2 1 281.363 2.446 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883429968 652467316 /nfs/dbraw/zinc/46/73/16/652467316.db2.gz KKEGFDHIANZVQL-MQYQWHSLSA-N 2 1 252.402 2.064 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C[C@@H]1C[NH3+] ZINC000883433680 652468218 /nfs/dbraw/zinc/46/82/18/652468218.db2.gz WSKLITQGTKIDOL-FXUDXRNXSA-N 2 1 296.455 2.020 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)C(C)(C)O1 ZINC000883433035 652468433 /nfs/dbraw/zinc/46/84/33/652468433.db2.gz HFXLFTHSIBPNDZ-XJKSGUPXSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C(C)(C)O1 ZINC000883437223 652469390 /nfs/dbraw/zinc/46/93/90/652469390.db2.gz MXWCWWZAVBANJJ-WOSRLPQWSA-N 2 1 266.429 2.393 20 0 CEADMP CO[C@@]1(C(F)(F)F)CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000883447868 652473224 /nfs/dbraw/zinc/47/32/24/652473224.db2.gz NTSYLOWEOFWXKQ-LBPRGKRZSA-N 2 1 280.334 2.029 20 0 CEADMP COc1cccc(OCC[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883458927 652476603 /nfs/dbraw/zinc/47/66/03/652476603.db2.gz BNQOWGBVJHPTDV-UHFFFAOYSA-N 2 1 290.407 2.292 20 0 CEADMP COc1cccc(OCC[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883458927 652476604 /nfs/dbraw/zinc/47/66/04/652476604.db2.gz BNQOWGBVJHPTDV-UHFFFAOYSA-N 2 1 290.407 2.292 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000884227856 652758881 /nfs/dbraw/zinc/75/88/81/652758881.db2.gz ZOJCGGVXKMLYET-CABCVRRESA-N 2 1 297.487 2.329 20 0 CEADMP Cc1n[nH]c(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000885924843 653069653 /nfs/dbraw/zinc/06/96/53/653069653.db2.gz WOWRHIWNZKKTEY-CHWSQXEVSA-N 2 1 278.444 2.484 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2c(F)cccc2C1 ZINC001171411095 814924282 /nfs/dbraw/zinc/92/42/82/814924282.db2.gz DMMGPGMJKRAPLB-AAEUAGOBSA-N 2 1 250.361 2.210 20 0 CEADMP COC[C@@H]1CCCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000696645128 805748948 /nfs/dbraw/zinc/74/89/48/805748948.db2.gz IBJCDPBZTCECLI-HUUCEWRRSA-N 2 1 254.418 2.125 20 0 CEADMP CC(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001088280118 806080908 /nfs/dbraw/zinc/08/09/08/806080908.db2.gz JFQUBKAAHNHRNT-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001271887160 806129880 /nfs/dbraw/zinc/12/98/80/806129880.db2.gz YONVWGBCIOACNR-HOTGVXAUSA-N 2 1 295.471 2.167 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001168231550 806427706 /nfs/dbraw/zinc/42/77/06/806427706.db2.gz RBCGYSOAZYNCEL-CJNGLKHVSA-N 2 1 274.408 2.094 20 0 CEADMP CC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2Cl)CC1 ZINC000387404001 806448200 /nfs/dbraw/zinc/44/82/00/806448200.db2.gz RILOCBROCDAUOG-HNNXBMFYSA-N 2 1 282.815 2.447 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1Cc2ccc(OC)cc2C1 ZINC001168289295 806629508 /nfs/dbraw/zinc/62/95/08/806629508.db2.gz PVEHJNKEDUZRER-MRXNPFEDSA-N 2 1 276.424 2.436 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001088693388 806644242 /nfs/dbraw/zinc/64/42/42/806644242.db2.gz XSTJDEHAOIGUIK-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H]1C ZINC001088693388 806644245 /nfs/dbraw/zinc/64/42/45/806644245.db2.gz XSTJDEHAOIGUIK-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H]1C ZINC001088693388 806644249 /nfs/dbraw/zinc/64/42/49/806644249.db2.gz XSTJDEHAOIGUIK-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CCCCCOC(=O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168312270 806644759 /nfs/dbraw/zinc/64/47/59/806644759.db2.gz NOFIOBVZXYZGRA-UHFFFAOYSA-N 2 1 270.417 2.182 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCCOC(C)(C)C2)CC1 ZINC001168324458 806653842 /nfs/dbraw/zinc/65/38/42/806653842.db2.gz PASLRHYRMQQKGR-UHFFFAOYSA-N 2 1 254.418 2.360 20 0 CEADMP c1ccc2c(c1)OC(C[NH2+]C1CC[NH+](CC3CC3)CC1)O2 ZINC001168363371 806757345 /nfs/dbraw/zinc/75/73/45/806757345.db2.gz YXXISFAWOBPMSG-UHFFFAOYSA-N 2 1 288.391 2.248 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+]CCC(C)C ZINC001168369352 806914443 /nfs/dbraw/zinc/91/44/43/806914443.db2.gz QIXCDDQNUUVXQL-UHFFFAOYSA-N 2 1 294.443 2.114 20 0 CEADMP C[C@H]1C[N@H+](C2CC[NH+](CC3CC3)CC2)CCC[C@@]1(C)O ZINC001168371419 806952714 /nfs/dbraw/zinc/95/27/14/806952714.db2.gz FXAVHDNISSTVFE-WMLDXEAASA-N 2 1 280.456 2.344 20 0 CEADMP C[C@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)CCC[C@H]1O ZINC001208184547 802378533 /nfs/dbraw/zinc/37/85/33/802378533.db2.gz NBURNGLFHYEMAO-LSDHHAIUSA-N 2 1 268.445 2.201 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC001208606272 802388436 /nfs/dbraw/zinc/38/84/36/802388436.db2.gz DRGJVCAJYMLHSV-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC001208606272 802388443 /nfs/dbraw/zinc/38/84/43/802388443.db2.gz DRGJVCAJYMLHSV-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC001208606272 802388452 /nfs/dbraw/zinc/38/84/52/802388452.db2.gz DRGJVCAJYMLHSV-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP CC[NH+](CC)CCN1CC[NH+](C[C@H](C)C(F)(F)F)CC1 ZINC001208886796 802429330 /nfs/dbraw/zinc/42/93/30/802429330.db2.gz HHDBVZQJJPGJPZ-ZDUSSCGKSA-N 2 1 295.393 2.144 20 0 CEADMP CC(C)=CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000073471882 802429798 /nfs/dbraw/zinc/42/97/98/802429798.db2.gz IFXPVTICYZOQLR-HNNXBMFYSA-N 2 1 293.455 2.018 20 0 CEADMP CC1=CC[C@@H](CC[N@@H+]2CCO[C@H](C[NH3+])C2)C1(C)C ZINC001210399941 802679454 /nfs/dbraw/zinc/67/94/54/802679454.db2.gz NGXGMEFGOTTWCQ-UONOGXRCSA-N 2 1 252.402 2.028 20 0 CEADMP CC1=CC[C@@H](CC[N@H+]2CCO[C@H](C[NH3+])C2)C1(C)C ZINC001210399941 802679456 /nfs/dbraw/zinc/67/94/56/802679456.db2.gz NGXGMEFGOTTWCQ-UONOGXRCSA-N 2 1 252.402 2.028 20 0 CEADMP CC(C)n1nccc1C[N@@H+](C)CCCCCC[NH3+] ZINC000710763968 809992670 /nfs/dbraw/zinc/99/26/70/809992670.db2.gz DGNWNFGYIFCCOK-UHFFFAOYSA-N 2 1 252.406 2.415 20 0 CEADMP Cc1ccc(NC(=O)C[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000710843780 809996560 /nfs/dbraw/zinc/99/65/60/809996560.db2.gz YXJYUZDQOZVLOG-UHFFFAOYSA-N 2 1 277.412 2.384 20 0 CEADMP CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385587 802762826 /nfs/dbraw/zinc/76/28/26/802762826.db2.gz JWAJXEQJVXMRCF-HNNXBMFYSA-N 2 1 295.471 2.145 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000721445214 802776570 /nfs/dbraw/zinc/77/65/70/802776570.db2.gz LXWMOCGSCLRECC-SDDRHHMPSA-N 2 1 280.334 2.157 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000721446887 802782361 /nfs/dbraw/zinc/78/23/61/802782361.db2.gz WZQISTSXWNQDQW-JTQLQIEISA-N 2 1 270.364 2.485 20 0 CEADMP FC(F)(F)[C@@H]1CC[C@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)O1 ZINC000721457126 802814432 /nfs/dbraw/zinc/81/44/32/802814432.db2.gz GZHHOLOCWGVFHH-NEPJUHHUSA-N 2 1 292.345 2.172 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC)CC1 ZINC001167470836 802884360 /nfs/dbraw/zinc/88/43/60/802884360.db2.gz FCIXCHIELPWOJW-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP Cc1cc(C)nc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000723878716 802960193 /nfs/dbraw/zinc/96/01/93/802960193.db2.gz FZZBOCFYLXBQPM-HOCLYGCPSA-N 2 1 259.397 2.272 20 0 CEADMP Cc1cc(C)nc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000723878716 802960197 /nfs/dbraw/zinc/96/01/97/802960197.db2.gz FZZBOCFYLXBQPM-HOCLYGCPSA-N 2 1 259.397 2.272 20 0 CEADMP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001087175222 802975097 /nfs/dbraw/zinc/97/50/97/802975097.db2.gz BQYOSMBENAKICS-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1nc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)oc1C ZINC000684573126 803023010 /nfs/dbraw/zinc/02/30/10/803023010.db2.gz QKSUQBPFYMKBGS-UHFFFAOYSA-N 2 1 286.379 2.399 20 0 CEADMP Cc1nc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)oc1C ZINC000684573126 803023023 /nfs/dbraw/zinc/02/30/23/803023023.db2.gz QKSUQBPFYMKBGS-UHFFFAOYSA-N 2 1 286.379 2.399 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001267171775 803191600 /nfs/dbraw/zinc/19/16/00/803191600.db2.gz OAKOSVYFIBWJOA-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267171775 803191602 /nfs/dbraw/zinc/19/16/02/803191602.db2.gz OAKOSVYFIBWJOA-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001267171775 803191606 /nfs/dbraw/zinc/19/16/06/803191606.db2.gz OAKOSVYFIBWJOA-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP COC(=O)c1c[nH+]ccc1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167626871 803216113 /nfs/dbraw/zinc/21/61/13/803216113.db2.gz WMZQYPKPABNBGE-UHFFFAOYSA-N 2 1 291.395 2.353 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001267268937 803313988 /nfs/dbraw/zinc/31/39/88/803313988.db2.gz IHQMAWHNQCFRRC-HOTGVXAUSA-N 2 1 295.471 2.119 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)C12CCC2 ZINC000405352054 803369669 /nfs/dbraw/zinc/36/96/69/803369669.db2.gz OSPMWGZVDVTNMY-OLZOCXBDSA-N 2 1 252.308 2.324 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[NH2+]CCC2(C)C)c1C ZINC000712583867 814754867 /nfs/dbraw/zinc/75/48/67/814754867.db2.gz LWCWUWBKONAXRX-UHFFFAOYSA-N 2 1 277.412 2.281 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCCC[NH3+] ZINC001217884571 803484835 /nfs/dbraw/zinc/48/48/35/803484835.db2.gz QONYDOPVHWXKKT-GOEBONIOSA-N 2 1 262.397 2.262 20 0 CEADMP Cc1n[nH]cc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000036901478 814940690 /nfs/dbraw/zinc/94/06/90/814940690.db2.gz HGFYOUUIUYLTKP-GFCCVEGCSA-N 2 1 250.390 2.072 20 0 CEADMP Cc1n[nH]cc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000036901478 814940695 /nfs/dbraw/zinc/94/06/95/814940695.db2.gz HGFYOUUIUYLTKP-GFCCVEGCSA-N 2 1 250.390 2.072 20 0 CEADMP CC(C)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001100681439 803502471 /nfs/dbraw/zinc/50/24/71/803502471.db2.gz JOCOODKSRGTGHE-UHFFFAOYSA-N 2 1 297.487 2.105 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]c3cc(F)ccc23)C[C@H]1C[NH3+] ZINC000708835841 803551830 /nfs/dbraw/zinc/55/18/30/803551830.db2.gz KHIOZXQXLLQYDM-WDEREUQCSA-N 2 1 261.344 2.334 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001140807124 803559246 /nfs/dbraw/zinc/55/92/46/803559246.db2.gz MXGUDMCRWRTGQY-OAHLLOKOSA-N 2 1 257.337 2.318 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001140807124 803559248 /nfs/dbraw/zinc/55/92/48/803559248.db2.gz MXGUDMCRWRTGQY-OAHLLOKOSA-N 2 1 257.337 2.318 20 0 CEADMP C[C@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000708854496 803570509 /nfs/dbraw/zinc/57/05/09/803570509.db2.gz XUKRARAVUSMBIJ-WCQYABFASA-N 2 1 252.789 2.409 20 0 CEADMP COC(=O)[C@@H](C)C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222154916 803810763 /nfs/dbraw/zinc/81/07/63/803810763.db2.gz SSGCZXGDCODTAO-GOEBONIOSA-N 2 1 282.428 2.041 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715518314 814971263 /nfs/dbraw/zinc/97/12/63/814971263.db2.gz JSWQACMVJWAJII-ZNMIVQPWSA-N 2 1 252.402 2.147 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000715541099 814973933 /nfs/dbraw/zinc/97/39/33/814973933.db2.gz FNCYNYUSVPTCER-OLZOCXBDSA-N 2 1 266.360 2.494 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001026886795 803912284 /nfs/dbraw/zinc/91/22/84/803912284.db2.gz FRVGWRRSBUBGRL-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001026886793 803912711 /nfs/dbraw/zinc/91/27/11/803912711.db2.gz FRVGWRRSBUBGRL-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP COc1cncc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000715561360 814979287 /nfs/dbraw/zinc/97/92/87/814979287.db2.gz JTFLWPOYCROJGX-KGLIPLIRSA-N 2 1 263.385 2.053 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027985500 804380497 /nfs/dbraw/zinc/38/04/97/804380497.db2.gz JGYPOMAFBVPBDJ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001027985500 804380504 /nfs/dbraw/zinc/38/05/04/804380504.db2.gz JGYPOMAFBVPBDJ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001027985500 804380514 /nfs/dbraw/zinc/38/05/14/804380514.db2.gz JGYPOMAFBVPBDJ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1)[C@@H]1CCCC[NH2+]1 ZINC000722389865 804413909 /nfs/dbraw/zinc/41/39/09/804413909.db2.gz RBLUQVIQIQSEJG-FIQHERPVSA-N 2 1 280.334 2.217 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@](C)(C(=O)OC)C1 ZINC001167835952 804428447 /nfs/dbraw/zinc/42/84/47/804428447.db2.gz WLUHPARIVISMEX-HOCLYGCPSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCOC2(CC2)C1 ZINC001167839913 804436420 /nfs/dbraw/zinc/43/64/20/804436420.db2.gz CRFWOPGKWKSLFG-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001167841326 804443155 /nfs/dbraw/zinc/44/31/55/804443155.db2.gz KMNCMFNAUVYSRI-OAGGEKHMSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C ZINC001167841326 804443161 /nfs/dbraw/zinc/44/31/61/804443161.db2.gz KMNCMFNAUVYSRI-OAGGEKHMSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C ZINC001167841326 804443164 /nfs/dbraw/zinc/44/31/64/804443164.db2.gz KMNCMFNAUVYSRI-OAGGEKHMSA-N 2 1 267.461 2.275 20 0 CEADMP CCOC(=O)C[N@@H+](CC)[C@H](C)CCC[NH+](CC)CC ZINC001167841422 804444394 /nfs/dbraw/zinc/44/43/94/804444394.db2.gz MTBMMNSKHHTQOG-CQSZACIVSA-N 2 1 272.433 2.382 20 0 CEADMP CCc1nocc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118507541 815021138 /nfs/dbraw/zinc/02/11/38/815021138.db2.gz ZYBBJGRZHNPDKZ-UHFFFAOYSA-N 2 1 263.385 2.203 20 0 CEADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167896941 804588527 /nfs/dbraw/zinc/58/85/27/804588527.db2.gz GIOUMRPLGDUQEY-BCDXTJNWSA-N 2 1 286.419 2.407 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc(Cl)n1 ZINC000401851509 804618593 /nfs/dbraw/zinc/61/85/93/804618593.db2.gz WYEONOWVTUATNE-LBPRGKRZSA-N 2 1 267.804 2.475 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc(Cl)n1 ZINC000401851509 804618600 /nfs/dbraw/zinc/61/86/00/804618600.db2.gz WYEONOWVTUATNE-LBPRGKRZSA-N 2 1 267.804 2.475 20 0 CEADMP CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001270021345 805312654 /nfs/dbraw/zinc/31/26/54/805312654.db2.gz DSVHKCDEVRYMKA-CGFBPQRUSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001270021347 805313196 /nfs/dbraw/zinc/31/31/96/805313196.db2.gz DSVHKCDEVRYMKA-UDLYIEAKSA-N 2 1 293.455 2.018 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC1(C)CC[NH+](CC)CC1 ZINC001270255207 805383368 /nfs/dbraw/zinc/38/33/68/805383368.db2.gz FNGJNRBNERZTJX-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP C[C@@H]([NH3+])c1ccn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)n1 ZINC001167968267 805491373 /nfs/dbraw/zinc/49/13/73/805491373.db2.gz OPFMTYXNCKDHHO-SQPSOYEMSA-N 2 1 274.412 2.481 20 0 CEADMP CC/C=C\CC[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001270643354 805502837 /nfs/dbraw/zinc/50/28/37/805502837.db2.gz WMPALTMEKBYJAH-QWPQOLDESA-N 2 1 295.471 2.265 20 0 CEADMP CC/C=C\CC[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001270643354 805502842 /nfs/dbraw/zinc/50/28/42/805502842.db2.gz WMPALTMEKBYJAH-QWPQOLDESA-N 2 1 295.471 2.265 20 0 CEADMP CC/C=C\CC[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001270643354 805502845 /nfs/dbraw/zinc/50/28/45/805502845.db2.gz WMPALTMEKBYJAH-QWPQOLDESA-N 2 1 295.471 2.265 20 0 CEADMP C[C@H]([NH3+])CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001119320998 815090419 /nfs/dbraw/zinc/09/04/19/815090419.db2.gz WFBGQDVAMCTUCV-VIFPVBQESA-N 2 1 269.776 2.077 20 0 CEADMP CC[C@@H](C)C[NH+]1CC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030442453 807190042 /nfs/dbraw/zinc/19/00/42/807190042.db2.gz UZPVYZINCYPHDV-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP C([C@H]1CCC2(CCC2)CO1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000716302795 815110830 /nfs/dbraw/zinc/11/08/30/815110830.db2.gz QXBLYHNOOPAHGL-KFWWJZLASA-N 2 1 264.413 2.020 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](C)CO1 ZINC000403764091 807353407 /nfs/dbraw/zinc/35/34/07/807353407.db2.gz PJDNEBRWHDJCGL-CJNGLKHVSA-N 2 1 274.408 2.332 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171448223 815126226 /nfs/dbraw/zinc/12/62/26/815126226.db2.gz KKZGKSYCLLEOMV-SMDDNHRTSA-N 2 1 280.362 2.363 20 0 CEADMP [NH3+]CCc1c[nH+]cn1[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171447914 815130788 /nfs/dbraw/zinc/13/07/88/815130788.db2.gz ILEVMASOPVQNKY-GFCCVEGCSA-N 2 1 277.318 2.393 20 0 CEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC001205095214 807587565 /nfs/dbraw/zinc/58/75/65/807587565.db2.gz VJQRCMFZBPOCAJ-OAHLLOKOSA-N 2 1 270.380 2.390 20 0 CEADMP [NH3+][C@@H]1CCCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001205095441 807590795 /nfs/dbraw/zinc/59/07/95/807590795.db2.gz XRLFRXFCHWPUTN-QZTJIDSGSA-N 2 1 287.451 2.322 20 0 CEADMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC001205101348 807631648 /nfs/dbraw/zinc/63/16/48/807631648.db2.gz DEMAGOYBBJUHJR-HNNXBMFYSA-N 2 1 270.380 2.186 20 0 CEADMP OC/C=C\C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716635344 815137469 /nfs/dbraw/zinc/13/74/69/815137469.db2.gz FIWIZLJLTKTWGV-PKTYMYEJSA-N 2 1 286.419 2.178 20 0 CEADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1CCCCO1 ZINC000699281226 807670878 /nfs/dbraw/zinc/67/08/78/807670878.db2.gz HJQHRSCDNCEXCH-DKUMPPAJSA-N 2 1 252.402 2.018 20 0 CEADMP COc1cc(F)c(C)cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205130503 807734397 /nfs/dbraw/zinc/73/43/97/807734397.db2.gz GVCRWDUCOBZATA-CYBMUJFWSA-N 2 1 266.360 2.456 20 0 CEADMP COc1cc(F)c(C)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205130503 807734401 /nfs/dbraw/zinc/73/44/01/807734401.db2.gz GVCRWDUCOBZATA-CYBMUJFWSA-N 2 1 266.360 2.456 20 0 CEADMP C[C@@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716711424 815143365 /nfs/dbraw/zinc/14/33/65/815143365.db2.gz GESNYAZRJMSMIY-IWCQGFGOSA-N 2 1 274.408 2.010 20 0 CEADMP CC[N@H+]1CCC[C@H](CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC001119699807 815151713 /nfs/dbraw/zinc/15/17/13/815151713.db2.gz ZGRAFLWDAJKBPJ-RBSFLKMASA-N 2 1 267.461 2.214 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC001119699807 815151716 /nfs/dbraw/zinc/15/17/16/815151716.db2.gz ZGRAFLWDAJKBPJ-RBSFLKMASA-N 3 1 267.461 2.214 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC001119699807 815151717 /nfs/dbraw/zinc/15/17/17/815151717.db2.gz ZGRAFLWDAJKBPJ-RBSFLKMASA-N 3 1 267.461 2.214 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2CCCC[C@]23CC[NH2+]C3)CCO1 ZINC001235124340 807780961 /nfs/dbraw/zinc/78/09/61/807780961.db2.gz MTUYTYXPFHJPTG-GOEBONIOSA-N 2 1 266.429 2.410 20 0 CEADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(F)cn1 ZINC001235325823 807815878 /nfs/dbraw/zinc/81/58/78/807815878.db2.gz HIEMHUNHWJITRS-UHFFFAOYSA-N 2 1 293.386 2.147 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC2CCCCC2)CC[N@H+]1C ZINC001127705365 808205457 /nfs/dbraw/zinc/20/54/57/808205457.db2.gz BIFRZPFGKBUQJV-JKSUJKDBSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1cccc2c1CC[C@H](n1c[nH+]cc1CC[NH3+])C2 ZINC001171548727 815193629 /nfs/dbraw/zinc/19/36/29/815193629.db2.gz GNOLORZOTVIRFR-AWEZNQCLSA-N 2 1 255.365 2.423 20 0 CEADMP C[C@H]1C[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCO1 ZINC001171630794 815202319 /nfs/dbraw/zinc/20/23/19/815202319.db2.gz BZDNXYRAXJAZKM-LBPRGKRZSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCO1 ZINC001171630794 815202323 /nfs/dbraw/zinc/20/23/23/815202323.db2.gz BZDNXYRAXJAZKM-LBPRGKRZSA-N 2 1 254.418 2.359 20 0 CEADMP c1cc(C[NH+]2CCOCC2)cc(C2=CCC[NH2+]CC2)c1 ZINC001238945074 808456920 /nfs/dbraw/zinc/45/69/20/808456920.db2.gz OIMGAOCWSGUOLX-UHFFFAOYSA-N 2 1 272.392 2.286 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2c(F)cccc2Cl)CC1 ZINC001205208222 808547229 /nfs/dbraw/zinc/54/72/29/808547229.db2.gz CBCFSDFASGWDDT-CQSZACIVSA-N 2 1 286.778 2.155 20 0 CEADMP CC[NH+]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171743534 815222124 /nfs/dbraw/zinc/22/21/24/815222124.db2.gz BIYVDKREHGXSMX-SJLPKXTDSA-N 2 1 287.451 2.287 20 0 CEADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1Cc2cccc(F)c2C1 ZINC001171772973 815229633 /nfs/dbraw/zinc/22/96/33/815229633.db2.gz HEVLJDOITYWKNN-CYBMUJFWSA-N 2 1 250.361 2.352 20 0 CEADMP CC(C)c1cccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205248898 808701958 /nfs/dbraw/zinc/70/19/58/808701958.db2.gz SRGGQMBRALOHIE-QGZVFWFLSA-N 2 1 276.424 2.486 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171776096 815230896 /nfs/dbraw/zinc/23/08/96/815230896.db2.gz OIGYEIITCOAFSD-KGLIPLIRSA-N 2 1 262.372 2.367 20 0 CEADMP CCOc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206153699 815258253 /nfs/dbraw/zinc/25/82/53/815258253.db2.gz FANFGKPGTRBZAJ-ZIAGYGMSSA-N 2 1 266.360 2.347 20 0 CEADMP CCOc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206153699 815258256 /nfs/dbraw/zinc/25/82/56/815258256.db2.gz FANFGKPGTRBZAJ-ZIAGYGMSSA-N 2 1 266.360 2.347 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)C2 ZINC001172101043 815279368 /nfs/dbraw/zinc/27/93/68/815279368.db2.gz VMRJWCHRPMSZNX-MHORFTMASA-N 2 1 288.435 2.499 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472483 809319259 /nfs/dbraw/zinc/31/92/59/809319259.db2.gz WRBIWTUWCOXQML-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033472483 809319266 /nfs/dbraw/zinc/31/92/66/809319266.db2.gz WRBIWTUWCOXQML-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033472483 809319274 /nfs/dbraw/zinc/31/92/74/809319274.db2.gz WRBIWTUWCOXQML-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP N[C@H]1CC[N@@H+](CCCc2ccccc2)CC[C@@H]1F ZINC001206156796 815280734 /nfs/dbraw/zinc/28/07/34/815280734.db2.gz SVLYELFBLSCNJI-GJZGRUSLSA-N 2 1 250.361 2.380 20 0 CEADMP [NH3+][C@H]1CC[N@H+](CCCc2ccccc2)CC[C@@H]1F ZINC001206156796 815280739 /nfs/dbraw/zinc/28/07/39/815280739.db2.gz SVLYELFBLSCNJI-GJZGRUSLSA-N 2 1 250.361 2.380 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](CCCc2ccccc2)CC[C@@H]1F ZINC001206156796 815280743 /nfs/dbraw/zinc/28/07/43/815280743.db2.gz SVLYELFBLSCNJI-GJZGRUSLSA-N 2 1 250.361 2.380 20 0 CEADMP [NH3+][C@H]1CC[N@H+](CCc2c(F)cccc2F)CC[C@@H]1F ZINC001206156886 815281263 /nfs/dbraw/zinc/28/12/63/815281263.db2.gz TXENSEFQEQEDQZ-KBPBESRZSA-N 2 1 272.314 2.269 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](CCc2c(F)cccc2F)CC[C@@H]1F ZINC001206156886 815281264 /nfs/dbraw/zinc/28/12/64/815281264.db2.gz TXENSEFQEQEDQZ-KBPBESRZSA-N 2 1 272.314 2.269 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)C2 ZINC001172098528 815282253 /nfs/dbraw/zinc/28/22/53/815282253.db2.gz AJWLPVULAKKSDZ-ZSOGYDGISA-N 2 1 297.443 2.116 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@](C)(O)CC1)C2 ZINC001172101249 815282336 /nfs/dbraw/zinc/28/23/36/815282336.db2.gz XPWZAGQYXNCBFF-UCZXGBCZSA-N 2 1 266.429 2.285 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@](C)(O)CC1)C2 ZINC001172101249 815282338 /nfs/dbraw/zinc/28/23/38/815282338.db2.gz XPWZAGQYXNCBFF-UCZXGBCZSA-N 2 1 266.429 2.285 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700807353 809355627 /nfs/dbraw/zinc/35/56/27/809355627.db2.gz BHVSUBQLBAVTHG-QLFBSQMISA-N 2 1 254.418 2.123 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656762 809371338 /nfs/dbraw/zinc/37/13/38/809371338.db2.gz DZKXWVLGMDYVLU-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP COC(=O)CC[C@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172124639 815286281 /nfs/dbraw/zinc/28/62/81/815286281.db2.gz MJUSNVOESUALBP-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)CC[C@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172124639 815286283 /nfs/dbraw/zinc/28/62/83/815286283.db2.gz MJUSNVOESUALBP-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)CC[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172124639 815286284 /nfs/dbraw/zinc/28/62/84/815286284.db2.gz MJUSNVOESUALBP-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)CC[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172124639 815286285 /nfs/dbraw/zinc/28/62/85/815286285.db2.gz MJUSNVOESUALBP-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP Cc1noc([C@H]2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172127394 815286824 /nfs/dbraw/zinc/28/68/24/815286824.db2.gz JBGAVCRDOSUOBJ-BYNSBNAKSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1noc([C@H]2CC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172127394 815286829 /nfs/dbraw/zinc/28/68/29/815286829.db2.gz JBGAVCRDOSUOBJ-BYNSBNAKSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1noc([C@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172127394 815286834 /nfs/dbraw/zinc/28/68/34/815286834.db2.gz JBGAVCRDOSUOBJ-BYNSBNAKSA-N 2 1 290.411 2.183 20 0 CEADMP CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033826853 809429280 /nfs/dbraw/zinc/42/92/80/809429280.db2.gz VWCPLVXSTPVQQT-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033826853 809429285 /nfs/dbraw/zinc/42/92/85/809429285.db2.gz VWCPLVXSTPVQQT-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP COc1cncc(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172105510 815295328 /nfs/dbraw/zinc/29/53/28/815295328.db2.gz IOTDFQCAKWOVMU-PHZGNYQRSA-N 2 1 289.423 2.238 20 0 CEADMP C[N@@H+]1C[C@@H]2CN(c3cc[nH+]cc3Br)C[C@]2(C)C1 ZINC000702376216 809545282 /nfs/dbraw/zinc/54/52/82/809545282.db2.gz GNCLZDNOVBVZMI-MFKMUULPSA-N 2 1 296.212 2.232 20 0 CEADMP C[N@H+]1C[C@@H]2CN(c3cc[nH+]cc3Br)C[C@]2(C)C1 ZINC000702376216 809545287 /nfs/dbraw/zinc/54/52/87/809545287.db2.gz GNCLZDNOVBVZMI-MFKMUULPSA-N 2 1 296.212 2.232 20 0 CEADMP CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034203917 809548367 /nfs/dbraw/zinc/54/83/67/809548367.db2.gz IPBGGRBRAFWBIS-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034203917 809548371 /nfs/dbraw/zinc/54/83/71/809548371.db2.gz IPBGGRBRAFWBIS-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034203917 809548378 /nfs/dbraw/zinc/54/83/78/809548378.db2.gz IPBGGRBRAFWBIS-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](C(C)C)C1 ZINC001034203639 809548418 /nfs/dbraw/zinc/54/84/18/809548418.db2.gz GKCGAIJNLJATCQ-HZPDHXFCSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034203639 809548422 /nfs/dbraw/zinc/54/84/22/809548422.db2.gz GKCGAIJNLJATCQ-HZPDHXFCSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](C(C)C)C1 ZINC001034203639 809548429 /nfs/dbraw/zinc/54/84/29/809548429.db2.gz GKCGAIJNLJATCQ-HZPDHXFCSA-N 2 1 295.471 2.238 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C13CCC(O)(CC1)CC3)C2 ZINC001172108870 815299162 /nfs/dbraw/zinc/29/91/62/815299162.db2.gz HDLXUVZLAVQLCX-DYPNFWBISA-N 2 1 278.440 2.429 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C13CCC(O)(CC1)CC3)C2 ZINC001172108870 815299167 /nfs/dbraw/zinc/29/91/67/815299167.db2.gz HDLXUVZLAVQLCX-DYPNFWBISA-N 2 1 278.440 2.429 20 0 CEADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC001172112682 815299961 /nfs/dbraw/zinc/29/99/61/815299961.db2.gz ZFZGRSXIBZTPAX-XQLPTFJDSA-N 2 1 252.402 2.016 20 0 CEADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC001172112682 815299966 /nfs/dbraw/zinc/29/99/66/815299966.db2.gz ZFZGRSXIBZTPAX-XQLPTFJDSA-N 2 1 252.402 2.016 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cn(CC3CC3)cn1)C2 ZINC001172110206 815300611 /nfs/dbraw/zinc/30/06/11/815300611.db2.gz IVHKVNLMEZQQSV-ACHSLPGTSA-N 2 1 288.439 2.398 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cn(CC3CC3)cn1)C2 ZINC001172110206 815300618 /nfs/dbraw/zinc/30/06/18/815300618.db2.gz IVHKVNLMEZQQSV-ACHSLPGTSA-N 2 1 288.439 2.398 20 0 CEADMP CCn1cnc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172110043 815301420 /nfs/dbraw/zinc/30/14/20/815301420.db2.gz IWOHSOZMCDLTRQ-XMQYKBBCSA-N 2 1 262.401 2.008 20 0 CEADMP CCn1cnc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172110043 815301427 /nfs/dbraw/zinc/30/14/27/815301427.db2.gz IWOHSOZMCDLTRQ-XMQYKBBCSA-N 2 1 262.401 2.008 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1[nH+]cn3ccccc13)C2 ZINC001172109977 815301605 /nfs/dbraw/zinc/30/16/05/815301605.db2.gz HSDKDYKLLKNGFA-QDMKHBRRSA-N 2 1 284.407 2.439 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1[nH+]cn3ccccc13)C2 ZINC001172109977 815301610 /nfs/dbraw/zinc/30/16/10/815301610.db2.gz HSDKDYKLLKNGFA-QDMKHBRRSA-N 2 1 284.407 2.439 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+](C3CCC3)CC1)C2 ZINC001172113533 815303390 /nfs/dbraw/zinc/30/33/90/815303390.db2.gz JRSGYDBWNHUKGM-FVQHAEBGSA-N 2 1 277.456 2.172 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCCO1 ZINC001172115726 815303950 /nfs/dbraw/zinc/30/39/50/815303950.db2.gz ZKEHFACXTGQRMU-LXFSFDBISA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCO1 ZINC001172115726 815303958 /nfs/dbraw/zinc/30/39/58/815303958.db2.gz ZKEHFACXTGQRMU-LXFSFDBISA-N 2 1 252.402 2.159 20 0 CEADMP CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001034676442 809658586 /nfs/dbraw/zinc/65/85/86/809658586.db2.gz YUIYWLHQBZPBNA-VGWMRTNUSA-N 2 1 293.455 2.040 20 0 CEADMP COc1cncc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172115846 815306843 /nfs/dbraw/zinc/30/68/43/815306843.db2.gz VMFVVKXIEOZEOK-QKDCVEJESA-N 2 1 275.396 2.195 20 0 CEADMP CC[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](CC)CO1 ZINC000703884825 809702527 /nfs/dbraw/zinc/70/25/27/809702527.db2.gz LCCWOJOOAJHVGE-AQBKWJQSSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@](O)(C(F)(F)F)C1)C2 ZINC001172120440 815311059 /nfs/dbraw/zinc/31/10/59/815311059.db2.gz KUOSHMDXBVRLRQ-YVECIDJPSA-N 2 1 292.345 2.001 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@](O)(C(F)(F)F)C1)C2 ZINC001172120440 815311066 /nfs/dbraw/zinc/31/10/66/815311066.db2.gz KUOSHMDXBVRLRQ-YVECIDJPSA-N 2 1 292.345 2.001 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@](O)(C(F)(F)F)C1)C2 ZINC001172120440 815311072 /nfs/dbraw/zinc/31/10/72/815311072.db2.gz KUOSHMDXBVRLRQ-YVECIDJPSA-N 2 1 292.345 2.001 20 0 CEADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@@H]1O ZINC001172121888 815312551 /nfs/dbraw/zinc/31/25/51/815312551.db2.gz VBCVFFLGIJSCQW-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@@H]1O ZINC001172121888 815312558 /nfs/dbraw/zinc/31/25/58/815312558.db2.gz VBCVFFLGIJSCQW-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC[C@@H]1O ZINC001172121888 815312565 /nfs/dbraw/zinc/31/25/65/815312565.db2.gz VBCVFFLGIJSCQW-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC[C@@H]1O ZINC001172121888 815312570 /nfs/dbraw/zinc/31/25/70/815312570.db2.gz VBCVFFLGIJSCQW-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cncc3ccccc32)C[C@H]1C[NH3+] ZINC000708840669 809936315 /nfs/dbraw/zinc/93/63/15/809936315.db2.gz ZNXAQKSNMXHNFF-GXTWGEPZSA-N 2 1 255.365 2.261 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CC(C)(C)OC1(C)C ZINC000709689181 809952625 /nfs/dbraw/zinc/95/26/25/809952625.db2.gz UWNLTQXFIGBGFR-FRRDWIJNSA-N 2 1 254.418 2.392 20 0 CEADMP C[N@@H+](Cc1ccc2c[nH]nc2c1)C1CCC([NH3+])CC1 ZINC000710423322 809988175 /nfs/dbraw/zinc/98/81/75/809988175.db2.gz YXWCVPHOTIMTCT-UHFFFAOYSA-N 2 1 258.369 2.265 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](c3nccs3)C2)C1 ZINC000710440580 809988188 /nfs/dbraw/zinc/98/81/88/809988188.db2.gz HXJDJQWWVBCQFQ-SDDRHHMPSA-N 2 1 251.399 2.060 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](c3nccs3)C2)CC[NH2+]1 ZINC000710480414 809989569 /nfs/dbraw/zinc/98/95/69/809989569.db2.gz FBDOOLSFURWPMD-AGIUHOORSA-N 2 1 265.426 2.321 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C[NH3+] ZINC000923383055 810090014 /nfs/dbraw/zinc/09/00/14/810090014.db2.gz PLHIUARCMVWWRW-TTYBHXTHSA-N 3 1 279.472 2.212 20 0 CEADMP CCc1ncc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)o1 ZINC000923384405 810090790 /nfs/dbraw/zinc/09/07/90/810090790.db2.gz WSJQOHAMXOBNSJ-LBPRGKRZSA-N 2 1 263.385 2.201 20 0 CEADMP CCCC[N@@H+](CC)CCNC1CC[NH+](CCCOC)CC1 ZINC001172244405 815356590 /nfs/dbraw/zinc/35/65/90/815356590.db2.gz QIQCNDJIZCTFPE-UHFFFAOYSA-N 2 1 299.503 2.199 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](C(C)C)C1 ZINC001015973285 810380865 /nfs/dbraw/zinc/38/08/65/810380865.db2.gz AYVOORBSBZJYQG-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001015973285 810380869 /nfs/dbraw/zinc/38/08/69/810380869.db2.gz AYVOORBSBZJYQG-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C(C)C)C1 ZINC001015973285 810380872 /nfs/dbraw/zinc/38/08/72/810380872.db2.gz AYVOORBSBZJYQG-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP COC1CCC(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC001120058052 810584976 /nfs/dbraw/zinc/58/49/76/810584976.db2.gz RCTRUDDVZAKAOK-UYSNPLJNSA-N 2 1 266.429 2.219 20 0 CEADMP COC1CCC(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC001120058052 810584978 /nfs/dbraw/zinc/58/49/78/810584978.db2.gz RCTRUDDVZAKAOK-UYSNPLJNSA-N 2 1 266.429 2.219 20 0 CEADMP COC1CCC(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001120058052 810584984 /nfs/dbraw/zinc/58/49/84/810584984.db2.gz RCTRUDDVZAKAOK-UYSNPLJNSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1F ZINC001206163937 815390489 /nfs/dbraw/zinc/39/04/89/815390489.db2.gz HZOYNBCSTXLCPN-KGLIPLIRSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1F ZINC001206163937 815390494 /nfs/dbraw/zinc/39/04/94/815390494.db2.gz HZOYNBCSTXLCPN-KGLIPLIRSA-N 2 1 254.324 2.395 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@](C)(CO)C1 ZINC001258908194 810709219 /nfs/dbraw/zinc/70/92/19/810709219.db2.gz SDXYACJXWRAMQR-HUUCEWRRSA-N 2 1 256.434 2.201 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@](C)(CO)C1 ZINC001258908198 810716405 /nfs/dbraw/zinc/71/64/05/810716405.db2.gz SDXYACJXWRAMQR-LSDHHAIUSA-N 2 1 256.434 2.201 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOC(C)(C)C2)CCC[C@H]1C[NH3+] ZINC001205985654 810731885 /nfs/dbraw/zinc/73/18/85/810731885.db2.gz ZGJMKPIXXCTMBB-KFWWJZLASA-N 2 1 268.445 2.498 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001085589608 810846762 /nfs/dbraw/zinc/84/67/62/810846762.db2.gz PMXNIUSIVKQWPP-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085589608 810846771 /nfs/dbraw/zinc/84/67/71/810846771.db2.gz PMXNIUSIVKQWPP-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085589608 810846776 /nfs/dbraw/zinc/84/67/76/810846776.db2.gz PMXNIUSIVKQWPP-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000723141202 811020114 /nfs/dbraw/zinc/02/01/14/811020114.db2.gz CACRODABOMCEGQ-RCWTZXSCSA-N 2 1 250.308 2.102 20 0 CEADMP C[N@H+]1CCC=C(c2cccc(-n3cc[nH+]c3N)c2)C1 ZINC001241572169 811117411 /nfs/dbraw/zinc/11/74/11/811117411.db2.gz SBLGQIABIJQAGZ-UHFFFAOYSA-N 2 1 254.337 2.173 20 0 CEADMP CCOCC[C@@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001172434328 815423998 /nfs/dbraw/zinc/42/39/98/815423998.db2.gz VPCKARCYSURSEH-GFCCVEGCSA-N 2 1 251.374 2.338 20 0 CEADMP CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086454514 811148950 /nfs/dbraw/zinc/14/89/50/811148950.db2.gz RKPZRTXXITZWNY-BZUAXINKSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3[nH]cnc3c2)CCC[C@@H]1C[NH3+] ZINC001205994103 811260548 /nfs/dbraw/zinc/26/05/48/811260548.db2.gz JFNXQWMXSAJMJR-GXTWGEPZSA-N 2 1 272.396 2.370 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccc3nc[nH]c3c2)CCC[C@@H]1C[NH3+] ZINC001205994103 811260557 /nfs/dbraw/zinc/26/05/57/811260557.db2.gz JFNXQWMXSAJMJR-GXTWGEPZSA-N 2 1 272.396 2.370 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3nc[nH]c3c2)CCC[C@@H]1C[NH3+] ZINC001205994103 811260561 /nfs/dbraw/zinc/26/05/61/811260561.db2.gz JFNXQWMXSAJMJR-GXTWGEPZSA-N 2 1 272.396 2.370 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc3ccccc3[nH]2)CCC[C@H]1C[NH3+] ZINC001205996092 811306740 /nfs/dbraw/zinc/30/67/40/811306740.db2.gz UQUKFHQKKWQNTK-OLZOCXBDSA-N 2 1 272.396 2.370 20 0 CEADMP CC(C)OCC[C@@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172440713 815437674 /nfs/dbraw/zinc/43/76/74/815437674.db2.gz JJOBIWFNHVACPV-RBSFLKMASA-N 2 1 284.444 2.161 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ncccc2F)CCC[C@@H]1C[NH3+] ZINC001205996368 811343424 /nfs/dbraw/zinc/34/34/24/811343424.db2.gz WOEQUHBGIMZTCJ-NWDGAFQWSA-N 2 1 251.349 2.028 20 0 CEADMP CSc1ncc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC001205996349 811354484 /nfs/dbraw/zinc/35/44/84/811354484.db2.gz WIHRPBSKRNZQOA-WCQYABFASA-N 2 1 280.441 2.005 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(CC[NH3+])Cc1ccccc1)C2 ZINC001169093795 811366871 /nfs/dbraw/zinc/36/68/71/811366871.db2.gz JDZLAZNYMWOOLV-BJWYYQGGSA-N 2 1 273.424 2.073 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@H]([NH3+])Cc3ccccc31)C2 ZINC001169093557 811367515 /nfs/dbraw/zinc/36/75/15/811367515.db2.gz ILNPZNJFLAUOAF-WCVJEAGWSA-N 2 1 271.408 2.002 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C13CCC(O)(CC1)CC3)C2 ZINC001169100695 811371616 /nfs/dbraw/zinc/37/16/16/811371616.db2.gz LIVZAEBOPGIXII-HZYRGMSJSA-N 2 1 264.413 2.039 20 0 CEADMP Cc1ccnc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169102332 811375511 /nfs/dbraw/zinc/37/55/11/811375511.db2.gz ZUJMHZCPAPHFFM-PHZGNYQRSA-N 2 1 259.397 2.147 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1COc3ccccc3C1)C2 ZINC001169079175 811376259 /nfs/dbraw/zinc/37/62/59/811376259.db2.gz JEJPEPONRNPKNV-YHUYYLMFSA-N 2 1 272.392 2.205 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@](C)(CO)CC1)C2 ZINC001169125941 811397855 /nfs/dbraw/zinc/39/78/55/811397855.db2.gz NZKNOOFTMSPZQW-FXUDXRNXSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@](C)(CO)CC1)C2 ZINC001169125941 811397864 /nfs/dbraw/zinc/39/78/64/811397864.db2.gz NZKNOOFTMSPZQW-FXUDXRNXSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@](C)(CO)CC1)C2 ZINC001169125941 811397873 /nfs/dbraw/zinc/39/78/73/811397873.db2.gz NZKNOOFTMSPZQW-FXUDXRNXSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169130854 811400000 /nfs/dbraw/zinc/40/00/00/811400000.db2.gz OSVHUTCEYUOXTH-REPLKXPHSA-N 2 1 299.462 2.429 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[NH+](C3CCCC3)C1)C2 ZINC001169109025 811404087 /nfs/dbraw/zinc/40/40/87/811404087.db2.gz GJEUTDFEYWVQGI-TXCZRRACSA-N 2 1 277.456 2.218 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001169109025 811404093 /nfs/dbraw/zinc/40/40/93/811404093.db2.gz GJEUTDFEYWVQGI-TXCZRRACSA-N 2 1 277.456 2.218 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001169109025 811404100 /nfs/dbraw/zinc/40/41/00/811404100.db2.gz GJEUTDFEYWVQGI-TXCZRRACSA-N 2 1 277.456 2.218 20 0 CEADMP COCCC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169142446 811409022 /nfs/dbraw/zinc/40/90/22/811409022.db2.gz UVVFBMVELXQTIV-MUJYYYPQSA-N 2 1 266.429 2.360 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H](Oc3ccccn3)C1)C2 ZINC001169155656 811416866 /nfs/dbraw/zinc/41/68/66/811416866.db2.gz UJFPJIFHHOQIOA-FZKCQIBNSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H](Oc3ccccn3)C1)C2 ZINC001169155656 811416871 /nfs/dbraw/zinc/41/68/71/811416871.db2.gz UJFPJIFHHOQIOA-FZKCQIBNSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H](Oc3ccccn3)C1)C2 ZINC001169155656 811416875 /nfs/dbraw/zinc/41/68/75/811416875.db2.gz UJFPJIFHHOQIOA-FZKCQIBNSA-N 2 1 287.407 2.160 20 0 CEADMP CC(C)[N@H+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC001169160079 811420953 /nfs/dbraw/zinc/42/09/53/811420953.db2.gz ATSIJJKEOBGVBN-CAOSSQGBSA-N 2 1 265.445 2.026 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC001169160079 811420957 /nfs/dbraw/zinc/42/09/57/811420957.db2.gz ATSIJJKEOBGVBN-CAOSSQGBSA-N 2 1 265.445 2.026 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC001169160079 811420966 /nfs/dbraw/zinc/42/09/66/811420966.db2.gz ATSIJJKEOBGVBN-CAOSSQGBSA-N 2 1 265.445 2.026 20 0 CEADMP CCN1CCC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001169244480 811460123 /nfs/dbraw/zinc/46/01/23/811460123.db2.gz QUUVKPMVOKWNQZ-HNNXBMFYSA-N 2 1 267.461 2.312 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001169244480 811460126 /nfs/dbraw/zinc/46/01/26/811460126.db2.gz QUUVKPMVOKWNQZ-HNNXBMFYSA-N 3 1 267.461 2.312 20 0 CEADMP CC[NH+]1CCC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001169244480 811460132 /nfs/dbraw/zinc/46/01/32/811460132.db2.gz QUUVKPMVOKWNQZ-HNNXBMFYSA-N 3 1 267.461 2.312 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3ncc(Cl)cc23)CC[C@H]1F ZINC001206165206 815458304 /nfs/dbraw/zinc/45/83/04/815458304.db2.gz MLPKTHKHYUIIDG-CHWSQXEVSA-N 2 1 296.777 2.478 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)CC[C@H]1F ZINC001206165206 815458311 /nfs/dbraw/zinc/45/83/11/815458311.db2.gz MLPKTHKHYUIIDG-CHWSQXEVSA-N 2 1 296.777 2.478 20 0 CEADMP CC(=O)N1CCC[C@H]([N@H+](C)CC2CC[NH+](C(C)C)CC2)C1 ZINC001169614304 811600771 /nfs/dbraw/zinc/60/07/71/811600771.db2.gz FCOWYQYWGBDYLO-KRWDZBQOSA-N 2 1 295.471 2.050 20 0 CEADMP CCOC(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC001169644832 811603980 /nfs/dbraw/zinc/60/39/80/811603980.db2.gz JMBKSTSGEOMZEY-CQSZACIVSA-N 2 1 297.443 2.071 20 0 CEADMP C[NH+](C)CCC(C)(C)Nc1cc2c(c[nH+]1)C(C)(C)C(=O)N2 ZINC001169715935 811639755 /nfs/dbraw/zinc/63/97/55/811639755.db2.gz LIHBOZLUNAQKIS-UHFFFAOYSA-N 2 1 290.411 2.454 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CCO1 ZINC001172543735 815465252 /nfs/dbraw/zinc/46/52/52/815465252.db2.gz RXMRJSFSVQBJQJ-BRWVUGGUSA-N 2 1 274.408 2.372 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CCO1 ZINC001172543735 815465253 /nfs/dbraw/zinc/46/52/53/815465253.db2.gz RXMRJSFSVQBJQJ-BRWVUGGUSA-N 2 1 274.408 2.372 20 0 CEADMP C[NH+](C)C[C@@]12C[C@@H]1CN(c1ccc3c([nH+]1)CCCC3)C2 ZINC001156385608 811681729 /nfs/dbraw/zinc/68/17/29/811681729.db2.gz OSCSLEVKNSSQOZ-RHSMWYFYSA-N 2 1 271.408 2.348 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046198055 811705450 /nfs/dbraw/zinc/70/54/50/811705450.db2.gz SOEMZIRBXGJLOA-WBVHZDCISA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046198055 811705454 /nfs/dbraw/zinc/70/54/54/811705454.db2.gz SOEMZIRBXGJLOA-WBVHZDCISA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046198055 811705458 /nfs/dbraw/zinc/70/54/58/811705458.db2.gz SOEMZIRBXGJLOA-WBVHZDCISA-N 2 1 295.471 2.097 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC001172635365 815480445 /nfs/dbraw/zinc/48/04/45/815480445.db2.gz XDIMIBOKIZQWFP-HUUCEWRRSA-N 2 1 294.439 2.136 20 0 CEADMP COCOc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206028851 811901882 /nfs/dbraw/zinc/90/18/82/811901882.db2.gz ZOAFJYCNGFESFP-HOCLYGCPSA-N 2 1 292.423 2.476 20 0 CEADMP CC(C)OC(=O)CC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001172746522 815501215 /nfs/dbraw/zinc/50/12/15/815501215.db2.gz PJQXRVVQRDEKMO-UONOGXRCSA-N 2 1 270.417 2.038 20 0 CEADMP CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049548071 812165323 /nfs/dbraw/zinc/16/53/23/812165323.db2.gz BSFAUSAAJMZFLY-OAGGEKHMSA-N 2 1 295.471 2.192 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172765466 815512369 /nfs/dbraw/zinc/51/23/69/815512369.db2.gz GFVYICQJQWIYAE-DGXTUMSLSA-N 2 1 294.439 2.323 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001170212349 812338396 /nfs/dbraw/zinc/33/83/96/812338396.db2.gz VIZWQGYVMONJRR-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001170418826 812413390 /nfs/dbraw/zinc/41/33/90/812413390.db2.gz BKFFTQUNQSDMGW-JSGCOSHPSA-N 2 1 278.396 2.263 20 0 CEADMP C[N@H+]1CCC[C@H](N2CCCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC001254524512 812437603 /nfs/dbraw/zinc/43/76/03/812437603.db2.gz XFWFMSLATSEBCU-DLBZAZTESA-N 2 1 279.472 2.421 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254529536 812442100 /nfs/dbraw/zinc/44/21/00/812442100.db2.gz NJMINUFDHVIXJH-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254529536 812442105 /nfs/dbraw/zinc/44/21/05/812442105.db2.gz NJMINUFDHVIXJH-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254529536 812442109 /nfs/dbraw/zinc/44/21/09/812442109.db2.gz NJMINUFDHVIXJH-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052716511 812449786 /nfs/dbraw/zinc/44/97/86/812449786.db2.gz NVWFKEQTOKDRIX-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001052716511 812449791 /nfs/dbraw/zinc/44/97/91/812449791.db2.gz NVWFKEQTOKDRIX-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001052716511 812449796 /nfs/dbraw/zinc/44/97/96/812449796.db2.gz NVWFKEQTOKDRIX-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CC1CC(C)C1 ZINC001129423317 812492168 /nfs/dbraw/zinc/49/21/68/812492168.db2.gz RZSRSOHIGHRVJG-GPANFISMSA-N 2 1 295.471 2.001 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170526524 812624480 /nfs/dbraw/zinc/62/44/80/812624480.db2.gz NYRYGMZZQHRJHR-RRCSTGOVSA-N 2 1 294.439 2.453 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(OC)cc1C ZINC001206182504 815541676 /nfs/dbraw/zinc/54/16/76/815541676.db2.gz ANTGQBWTPFNDHE-KGLIPLIRSA-N 2 1 296.386 2.273 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(OC)cc1C ZINC001206182504 815541678 /nfs/dbraw/zinc/54/16/78/815541678.db2.gz ANTGQBWTPFNDHE-KGLIPLIRSA-N 2 1 296.386 2.273 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(OC)cc1C ZINC001206182503 815541799 /nfs/dbraw/zinc/54/17/99/815541799.db2.gz ANTGQBWTPFNDHE-KBPBESRZSA-N 2 1 296.386 2.273 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(OC)cc1C ZINC001206182503 815541803 /nfs/dbraw/zinc/54/18/03/815541803.db2.gz ANTGQBWTPFNDHE-KBPBESRZSA-N 2 1 296.386 2.273 20 0 CEADMP CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001054826745 812654416 /nfs/dbraw/zinc/65/44/16/812654416.db2.gz NSTXSZDZKRWVSK-DZGCQCFKSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1cc(C(F)(F)F)cc(N[C@H](C)[C@H]2C[NH2+]CCO2)[nH+]1 ZINC001170557717 812662372 /nfs/dbraw/zinc/66/23/72/812662372.db2.gz GHMRUIOEOVPWAW-MWLCHTKSSA-N 2 1 289.301 2.198 20 0 CEADMP C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC1CCC1 ZINC001132249460 812811329 /nfs/dbraw/zinc/81/13/29/812811329.db2.gz PDSZSKPHIXFONY-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132518898 812871593 /nfs/dbraw/zinc/87/15/93/812871593.db2.gz PYHBMDOTXFULPD-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC2CCCCC2)CC[N@H+]1C ZINC001132893331 812956727 /nfs/dbraw/zinc/95/67/27/812956727.db2.gz NNCPKBUQJPYCSB-HOCLYGCPSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132938505 812960431 /nfs/dbraw/zinc/96/04/31/812960431.db2.gz UZYNWKOQDUXJCK-GJZGRUSLSA-N 2 1 297.487 2.201 20 0 CEADMP COc1cccc(C)c1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206187058 815567746 /nfs/dbraw/zinc/56/77/46/815567746.db2.gz SQGAEKSROWTQKL-KGLIPLIRSA-N 2 1 266.360 2.265 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173054354 815571554 /nfs/dbraw/zinc/57/15/54/815571554.db2.gz YDJOGEHHXBJXRV-MCIONIFRSA-N 2 1 299.459 2.301 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC001255342548 813073904 /nfs/dbraw/zinc/07/39/04/813073904.db2.gz FSLJSXRZFKJHEX-URGYJCLVSA-N 2 1 282.428 2.310 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3cc(Cl)ncc23)CC[C@@H]1F ZINC001206189543 815574898 /nfs/dbraw/zinc/57/48/98/815574898.db2.gz XHMGZQLWNKUEKR-RYUDHWBXSA-N 2 1 296.777 2.478 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](C)COCc2ccccc2)C1 ZINC000390080401 813259404 /nfs/dbraw/zinc/25/94/04/813259404.db2.gz AACOAKAJDWDNPM-WBVHZDCISA-N 2 1 276.424 2.381 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170752163 813276357 /nfs/dbraw/zinc/27/63/57/813276357.db2.gz XXMFCRBIKPOLAY-CABCVRRESA-N 2 1 283.460 2.144 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001134774407 813323202 /nfs/dbraw/zinc/32/32/02/813323202.db2.gz YDBOVDFKJMWKHW-ZIAGYGMSSA-N 2 1 297.487 2.390 20 0 CEADMP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135006896 813351253 /nfs/dbraw/zinc/35/12/53/813351253.db2.gz ACOBUCZTHFDRBQ-ZIAGYGMSSA-N 2 1 294.443 2.255 20 0 CEADMP CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135599932 813475967 /nfs/dbraw/zinc/47/59/67/813475967.db2.gz HMXSLBBYEHEMRM-KGLIPLIRSA-N 2 1 294.443 2.289 20 0 CEADMP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860753 813547935 /nfs/dbraw/zinc/54/79/35/813547935.db2.gz HFALZDZVFLPHIM-ZIAGYGMSSA-N 2 1 271.449 2.001 20 0 CEADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170869780 813567542 /nfs/dbraw/zinc/56/75/42/813567542.db2.gz AQBMDPKYTFCNAD-OWCLPIDISA-N 2 1 297.487 2.391 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000396564941 813573484 /nfs/dbraw/zinc/57/34/84/813573484.db2.gz JNMJIULYLRQCED-RYQLBKOJSA-N 2 1 287.451 2.239 20 0 CEADMP CCNC(=[NH2+])NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398046741 813653332 /nfs/dbraw/zinc/65/33/32/813653332.db2.gz CHEOXRPODJVLLB-INIZCTEOSA-N 2 1 274.412 2.175 20 0 CEADMP CCCCC[C@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246021837 813663642 /nfs/dbraw/zinc/66/36/42/813663642.db2.gz HTTOUCTZZCDLJR-LSDHHAIUSA-N 2 1 254.418 2.146 20 0 CEADMP CCCCC[C@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246021837 813663648 /nfs/dbraw/zinc/66/36/48/813663648.db2.gz HTTOUCTZZCDLJR-LSDHHAIUSA-N 2 1 254.418 2.146 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)CC[C@@H]1C[NH3+] ZINC001246024870 813664983 /nfs/dbraw/zinc/66/49/83/813664983.db2.gz WGYOJRGMCWFBNL-FVQBIDKESA-N 2 1 262.397 2.027 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)CC[C@H]1[NH3+] ZINC000399255504 813705096 /nfs/dbraw/zinc/70/50/96/813705096.db2.gz LUJKLKNFHMKLCG-KXUCPTDWSA-N 2 1 251.201 2.239 20 0 CEADMP CCCC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]1 ZINC001246228722 813740956 /nfs/dbraw/zinc/74/09/56/813740956.db2.gz IWUKZVKZLDYSGO-BFHYXJOUSA-N 3 1 289.414 2.132 20 0 CEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OC(C)=O)c1 ZINC001276387618 813746464 /nfs/dbraw/zinc/74/64/64/813746464.db2.gz DUTNCHYTGVLEDR-MQVJKMGUSA-N 2 1 288.391 2.327 20 0 CEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OC(C)=O)c1 ZINC001276387618 813746467 /nfs/dbraw/zinc/74/64/67/813746467.db2.gz DUTNCHYTGVLEDR-MQVJKMGUSA-N 2 1 288.391 2.327 20 0 CEADMP C[N@@H+](CCO)CCC[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171113645 813884866 /nfs/dbraw/zinc/88/48/66/813884866.db2.gz UNTWUQGIFMIAPN-MRXNPFEDSA-N 2 1 296.842 2.101 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4cc[nH]c4n3)C[C@@H]2C1 ZINC001144188335 813990038 /nfs/dbraw/zinc/99/00/38/813990038.db2.gz WTSTUYITHYLARB-GJZGRUSLSA-N 2 1 284.407 2.337 20 0 CEADMP COc1cccc(C[C@H](C)[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001246550436 814002722 /nfs/dbraw/zinc/00/27/22/814002722.db2.gz XWIKCCHPSDSJCB-ZFWWWQNUSA-N 2 1 262.397 2.439 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246554030 814019435 /nfs/dbraw/zinc/01/94/35/814019435.db2.gz USYMCKXDYXVYGN-NRXISQOPSA-N 3 1 253.434 2.063 20 0 CEADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CC1 ZINC001246559227 814041140 /nfs/dbraw/zinc/04/11/40/814041140.db2.gz ORCNXLBCUCPLQY-HUUCEWRRSA-N 3 1 267.461 2.166 20 0 CEADMP CC(C)N1CCC([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CC1 ZINC001246559227 814041143 /nfs/dbraw/zinc/04/11/43/814041143.db2.gz ORCNXLBCUCPLQY-HUUCEWRRSA-N 2 1 267.461 2.166 20 0 CEADMP CC(C)N1CCC([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CC1 ZINC001246559227 814041149 /nfs/dbraw/zinc/04/11/49/814041149.db2.gz ORCNXLBCUCPLQY-HUUCEWRRSA-N 2 1 267.461 2.166 20 0 CEADMP [NH3+][C@@H]1CCCC[N@@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001246560718 814046356 /nfs/dbraw/zinc/04/63/56/814046356.db2.gz SJCIXFMATRZONX-ZIAGYGMSSA-N 2 1 262.372 2.496 20 0 CEADMP [NH3+][C@@H]1CCCC[N@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001246560718 814046365 /nfs/dbraw/zinc/04/63/65/814046365.db2.gz SJCIXFMATRZONX-ZIAGYGMSSA-N 2 1 262.372 2.496 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC001246564610 814053391 /nfs/dbraw/zinc/05/33/91/814053391.db2.gz YASFTSIAWZRITA-TUVASFSCSA-N 2 1 282.428 2.025 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CCO1 ZINC001246569060 814074370 /nfs/dbraw/zinc/07/43/70/814074370.db2.gz PNKXVVNVQMPDIV-BYNSBNAKSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246571304 814094434 /nfs/dbraw/zinc/09/44/34/814094434.db2.gz BBSKBOMZZXHGOS-FXUDXRNXSA-N 3 1 265.445 2.110 20 0 CEADMP C[C@@H]1C[NH2+]CC[N@@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001246572462 814097040 /nfs/dbraw/zinc/09/70/40/814097040.db2.gz NUSXIPBOECLYCH-TZMCWYRMSA-N 2 1 262.372 2.224 20 0 CEADMP C[C@@H]1C[NH2+]CC[N@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001246572462 814097046 /nfs/dbraw/zinc/09/70/46/814097046.db2.gz NUSXIPBOECLYCH-TZMCWYRMSA-N 2 1 262.372 2.224 20 0 CEADMP c1[nH+]c(CN2CCN(c3cc[nH+]cc3)CC2)c2ccccn12 ZINC001144611458 814126541 /nfs/dbraw/zinc/12/65/41/814126541.db2.gz PDFBTKYGRAFZIK-UHFFFAOYSA-N 2 1 293.374 2.052 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@@H](C[NH3+])C1)C2 ZINC001246584207 814163154 /nfs/dbraw/zinc/16/31/54/814163154.db2.gz SYWOQLJCNPOLAO-CAOSSQGBSA-N 2 1 265.445 2.063 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCC[C@@H](C[NH3+])C1)C2 ZINC001246584207 814163158 /nfs/dbraw/zinc/16/31/58/814163158.db2.gz SYWOQLJCNPOLAO-CAOSSQGBSA-N 2 1 265.445 2.063 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCC[C@@H](C[NH3+])C1)C2 ZINC001246584207 814163162 /nfs/dbraw/zinc/16/31/62/814163162.db2.gz SYWOQLJCNPOLAO-CAOSSQGBSA-N 2 1 265.445 2.063 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](C2CCC(F)(F)CC2)CC[C@@H]1F ZINC001246584297 814164229 /nfs/dbraw/zinc/16/42/29/814164229.db2.gz IXXHFPYLKRZJGE-WDEREUQCSA-N 2 1 250.308 2.326 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](C2CCC(F)(F)CC2)CC[C@@H]1F ZINC001246584297 814164234 /nfs/dbraw/zinc/16/42/34/814164234.db2.gz IXXHFPYLKRZJGE-WDEREUQCSA-N 2 1 250.308 2.326 20 0 CEADMP CCC/C=C\CC[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171219494 814176641 /nfs/dbraw/zinc/17/66/41/814176641.db2.gz XZZOZGJTJSRIHJ-OGZRUICASA-N 2 1 295.471 2.171 20 0 CEADMP [NH3+][C@@H]1CCN([C@H]2CCC[N@H+](C3CCCC3)C2)CC[C@@H]1F ZINC001246589068 814179626 /nfs/dbraw/zinc/17/96/26/814179626.db2.gz RCGJUQQXXYCBAE-HRCADAONSA-N 2 1 283.435 2.155 20 0 CEADMP COc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C)CC1 ZINC001256196423 814181689 /nfs/dbraw/zinc/18/16/89/814181689.db2.gz JQXOVIIGTIETAF-OAHLLOKOSA-N 2 1 260.381 2.366 20 0 CEADMP C1CC2(C1)C[C@H]([N@H+]1CCC[C@@]13CCC[NH2+]CC3)CC[NH2+]2 ZINC001246604868 814204289 /nfs/dbraw/zinc/20/42/89/814204289.db2.gz JBAKKUAGALZITH-NVXWUHKLSA-N 3 1 277.456 2.269 20 0 CEADMP CC(C)CC(CC(C)C)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246626647 814224467 /nfs/dbraw/zinc/22/44/67/814224467.db2.gz SOOOEZDYOMPAGS-INIZCTEOSA-N 2 1 267.461 2.085 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@]23CC[NH2+]C3)CCO1 ZINC001246644835 814243582 /nfs/dbraw/zinc/24/35/82/814243582.db2.gz RXKBYNPKZASREV-ZNMIVQPWSA-N 2 1 252.402 2.162 20 0 CEADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(C)C ZINC001146333087 814274813 /nfs/dbraw/zinc/27/48/13/814274813.db2.gz MAGZFPJWVJJTJR-KBPBESRZSA-N 2 1 294.443 2.111 20 0 CEADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CC(C)(C)C1 ZINC001246858272 814296876 /nfs/dbraw/zinc/29/68/76/814296876.db2.gz DRAYIGUIKBCAET-OFBDQPAMSA-N 2 1 266.429 2.107 20 0 CEADMP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146603002 814300792 /nfs/dbraw/zinc/30/07/92/814300792.db2.gz VGTLOMUGGUCDPU-GJZGRUSLSA-N 2 1 285.476 2.246 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCC1CC1 ZINC001147358244 814427169 /nfs/dbraw/zinc/42/71/69/814427169.db2.gz DAFZLXZWTKXHGU-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1ccccc1 ZINC001148577771 814590493 /nfs/dbraw/zinc/59/04/93/814590493.db2.gz CBPLELUBFHZVQU-OAHLLOKOSA-N 2 1 291.439 2.185 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](O)CC2)CC1 ZINC001173110776 815582307 /nfs/dbraw/zinc/58/23/07/815582307.db2.gz XNMBDDMUWPSXPZ-UYSNPLJNSA-N 2 1 268.445 2.486 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CCn3c(C)nnc3C2)CC1 ZINC001173114431 815584104 /nfs/dbraw/zinc/58/41/04/815584104.db2.gz JRCOQEKSPOZYQF-UHFFFAOYSA-N 2 1 291.443 2.055 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCn3c(C)nnc3C2)CC1 ZINC001173114431 815584107 /nfs/dbraw/zinc/58/41/07/815584107.db2.gz JRCOQEKSPOZYQF-UHFFFAOYSA-N 2 1 291.443 2.055 20 0 CEADMP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713126639 814845353 /nfs/dbraw/zinc/84/53/53/814845353.db2.gz VVXPHDJGYAMKJT-AWEZNQCLSA-N 2 1 264.413 2.306 20 0 CEADMP C([C@@H]1CCC2(CCC2)O1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713126639 814845358 /nfs/dbraw/zinc/84/53/58/814845358.db2.gz VVXPHDJGYAMKJT-AWEZNQCLSA-N 2 1 264.413 2.306 20 0 CEADMP [NH3+]CCC1CC[NH+](Cc2scnc2Cl)CC1 ZINC000713483152 814858334 /nfs/dbraw/zinc/85/83/34/814858334.db2.gz ACRNLSYLKCUSLY-UHFFFAOYSA-N 2 1 259.806 2.357 20 0 CEADMP C=C/C=C/CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000713744085 814870896 /nfs/dbraw/zinc/87/08/96/814870896.db2.gz AUTNRVTURJDKQS-WHLIDYPQSA-N 2 1 286.419 2.345 20 0 CEADMP C=C/C=C/CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000713744085 814870899 /nfs/dbraw/zinc/87/08/99/814870899.db2.gz AUTNRVTURJDKQS-WHLIDYPQSA-N 2 1 286.419 2.345 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)O2)CC[C@H]1[NH3+] ZINC000714369560 814899926 /nfs/dbraw/zinc/89/99/26/814899926.db2.gz WMECBEQFTFMWLQ-MGPQQGTHSA-N 2 1 254.418 2.393 20 0 CEADMP CN1CCC[C@@H]2C[N@H+]([C@@H]3CCc4ncsc4C3)C[C@@H]21 ZINC001173143076 815601492 /nfs/dbraw/zinc/60/14/92/815601492.db2.gz YXVRIQGYWXRJTB-BZPMIXESSA-N 2 1 277.437 2.026 20 0 CEADMP CCCC[C@@H](CC(C)C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001173252632 815639973 /nfs/dbraw/zinc/63/99/73/815639973.db2.gz KLHDPUUJHHRIPZ-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP CC[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CN(CC)CCO[C@@H]3C2)C1 ZINC001173277264 815666307 /nfs/dbraw/zinc/66/63/07/815666307.db2.gz DXCKLJONSXXZKJ-FXUDXRNXSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)C1 ZINC001173277264 815666313 /nfs/dbraw/zinc/66/63/13/815666313.db2.gz DXCKLJONSXXZKJ-FXUDXRNXSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)C1 ZINC001173277264 815666314 /nfs/dbraw/zinc/66/63/14/815666314.db2.gz DXCKLJONSXXZKJ-FXUDXRNXSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[N@H+](CC)CCO[C@@H]3C2)C1 ZINC001173277264 815666315 /nfs/dbraw/zinc/66/63/15/815666315.db2.gz DXCKLJONSXXZKJ-FXUDXRNXSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[N@@H+](CC)CCO[C@@H]3C2)C1 ZINC001173277264 815666316 /nfs/dbraw/zinc/66/63/16/815666316.db2.gz DXCKLJONSXXZKJ-FXUDXRNXSA-N 2 1 266.429 2.218 20 0 CEADMP NCC[N@@H+](CCO)[C@@H]1CCCC2(CCCCC2)C1 ZINC001173339864 815681905 /nfs/dbraw/zinc/68/19/05/815681905.db2.gz QWPSEABBDAPPHF-CQSZACIVSA-N 2 1 254.418 2.133 20 0 CEADMP [NH3+]CC[N@H+](CCO)[C@@H]1CCCC2(CCCCC2)C1 ZINC001173339864 815681908 /nfs/dbraw/zinc/68/19/08/815681908.db2.gz QWPSEABBDAPPHF-CQSZACIVSA-N 2 1 254.418 2.133 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001173355474 815696311 /nfs/dbraw/zinc/69/63/11/815696311.db2.gz BUDBYJSKSNMUOQ-KRWDZBQOSA-N 2 1 279.472 2.279 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CC3(CC[NH2+]CC3)c3ccccc32)C1 ZINC001173372353 815706934 /nfs/dbraw/zinc/70/69/34/815706934.db2.gz PVLOXCJKZFGCMP-OAHLLOKOSA-N 2 1 285.435 2.222 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001173459110 815738409 /nfs/dbraw/zinc/73/84/09/815738409.db2.gz MDYULPYXTWNVMT-AWEZNQCLSA-N 2 1 282.428 2.278 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC001173623890 815767211 /nfs/dbraw/zinc/76/72/11/815767211.db2.gz WHYPLJZCPYDIHJ-BZUAXINKSA-N 2 1 296.455 2.430 20 0 CEADMP CCOc1cc(OC)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206209033 815790285 /nfs/dbraw/zinc/79/02/85/815790285.db2.gz AFJPQPYAIQLJQQ-GJZGRUSLSA-N 2 1 296.386 2.355 20 0 CEADMP CCOc1cc(OC)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206209033 815790289 /nfs/dbraw/zinc/79/02/89/815790289.db2.gz AFJPQPYAIQLJQQ-GJZGRUSLSA-N 2 1 296.386 2.355 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc1 ZINC001138545005 815824079 /nfs/dbraw/zinc/82/40/79/815824079.db2.gz QGHWQCNTKBSLLU-CXAGYDPISA-N 2 1 285.391 2.383 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)cc1 ZINC001138545005 815824088 /nfs/dbraw/zinc/82/40/88/815824088.db2.gz QGHWQCNTKBSLLU-CXAGYDPISA-N 2 1 285.391 2.383 20 0 CEADMP COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1-n1ccnc1C ZINC001140020718 816167424 /nfs/dbraw/zinc/16/74/24/816167424.db2.gz ARHVYNQQCWILOP-MRXNPFEDSA-N 2 1 299.374 2.318 20 0 CEADMP COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1-n1ccnc1C ZINC001140020718 816167427 /nfs/dbraw/zinc/16/74/27/816167427.db2.gz ARHVYNQQCWILOP-MRXNPFEDSA-N 2 1 299.374 2.318 20 0 CEADMP Cc1[nH+]ccn1-c1ccccc1CN1CC(C)([NH+](C)C)C1 ZINC001140026316 816169066 /nfs/dbraw/zinc/16/90/66/816169066.db2.gz KIYSIPWXUCEFEG-UHFFFAOYSA-N 2 1 284.407 2.317 20 0 CEADMP Nc1c[nH+]cn1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175505280 816217039 /nfs/dbraw/zinc/21/70/39/816217039.db2.gz SUKYFIMTMHIYEH-UHFFFAOYSA-N 2 1 254.337 2.212 20 0 CEADMP c1cc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c[nH]1 ZINC001140705287 816326428 /nfs/dbraw/zinc/32/64/28/816326428.db2.gz GZEUVFPMFPSHNY-MSOLQXFVSA-N 2 1 296.418 2.364 20 0 CEADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1coc2ccccc12 ZINC001140786833 816355312 /nfs/dbraw/zinc/35/53/12/816355312.db2.gz NDWDNKYXYIUUAI-UHFFFAOYSA-N 2 1 287.407 2.112 20 0 CEADMP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176166677 816359307 /nfs/dbraw/zinc/35/93/07/816359307.db2.gz VDCJYFBOHMBKKA-CABCVRRESA-N 2 1 283.460 2.001 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CC2(C1)CCCOC2 ZINC001140801887 816361683 /nfs/dbraw/zinc/36/16/83/816361683.db2.gz JRNSSTCENKMYFC-UHFFFAOYSA-N 2 1 257.337 2.175 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001140805238 816369369 /nfs/dbraw/zinc/36/93/69/816369369.db2.gz XLTQNQXHIBZMNF-XHDPSFHLSA-N 2 1 257.337 2.174 20 0 CEADMP O=C1NCCCC12CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140806435 816369236 /nfs/dbraw/zinc/36/92/36/816369236.db2.gz HJYJNPDTJIXXQL-UHFFFAOYSA-N 2 1 298.390 2.055 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001140805238 816369376 /nfs/dbraw/zinc/36/93/76/816369376.db2.gz XLTQNQXHIBZMNF-XHDPSFHLSA-N 2 1 257.337 2.174 20 0 CEADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cccc3n[nH]cc32)C1 ZINC001206624283 816432355 /nfs/dbraw/zinc/43/23/55/816432355.db2.gz SRTSPIGKUKDAMG-LBPRGKRZSA-N 2 1 258.369 2.124 20 0 CEADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ocnc2C)CC1 ZINC001141053572 816462173 /nfs/dbraw/zinc/46/21/73/816462173.db2.gz HWCMTUWIILTAHQ-UHFFFAOYSA-N 2 1 286.379 2.425 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]C(C)C)C12CCC2 ZINC001203102655 816504259 /nfs/dbraw/zinc/50/42/59/816504259.db2.gz IVLKBARJNFTXES-KGLIPLIRSA-N 2 1 295.471 2.142 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCC(C)C ZINC001176992389 816504507 /nfs/dbraw/zinc/50/45/07/816504507.db2.gz NPVFUXUIPIYNFZ-MRXNPFEDSA-N 2 1 297.487 2.393 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(-n4ccnc4)c3)C2)C1 ZINC001141244928 816513660 /nfs/dbraw/zinc/51/36/60/816513660.db2.gz XAJJTJAHLULYLI-GOSISDBHSA-N 2 1 296.418 2.400 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(-n4ccnc4)c3)C2)C1 ZINC001141244928 816513668 /nfs/dbraw/zinc/51/36/68/816513668.db2.gz XAJJTJAHLULYLI-GOSISDBHSA-N 2 1 296.418 2.400 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(-n4ccnc4)c3)C2)C1 ZINC001141244928 816513674 /nfs/dbraw/zinc/51/36/74/816513674.db2.gz XAJJTJAHLULYLI-GOSISDBHSA-N 2 1 296.418 2.400 20 0 CEADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](OCCC[NH+](C)C)C1 ZINC001206295558 816532155 /nfs/dbraw/zinc/53/21/55/816532155.db2.gz GVTWNQBKACJWJK-LSDHHAIUSA-N 2 1 277.412 2.185 20 0 CEADMP CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178528386 816758335 /nfs/dbraw/zinc/75/83/35/816758335.db2.gz XRZHSSBLFNLNAH-JKSUJKDBSA-N 2 1 297.487 2.393 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccn4ccnc34)C[C@H]2C1 ZINC001142960258 816762477 /nfs/dbraw/zinc/76/24/77/816762477.db2.gz MEJINUMHZPDGCR-HZPDHXFCSA-N 2 1 284.407 2.108 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449063073 282085560 /nfs/dbraw/zinc/08/55/60/282085560.db2.gz NNNDKCPBSGMLAS-UHFFFAOYSA-N 2 1 290.407 2.422 20 0 CEADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CC1 ZINC000124521013 187141351 /nfs/dbraw/zinc/14/13/51/187141351.db2.gz QSQHPHNOWARDTI-MRXNPFEDSA-N 2 1 267.461 2.038 20 0 CEADMP CSCC[C@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000567624439 299068228 /nfs/dbraw/zinc/06/82/28/299068228.db2.gz PBAYAJOBJREQRT-LBPRGKRZSA-N 2 1 255.431 2.426 20 0 CEADMP CSCC[C@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000567624439 299068232 /nfs/dbraw/zinc/06/82/32/299068232.db2.gz PBAYAJOBJREQRT-LBPRGKRZSA-N 2 1 255.431 2.426 20 0 CEADMP CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000083017090 178334459 /nfs/dbraw/zinc/33/44/59/178334459.db2.gz FFTZQALXDONGHA-UONOGXRCSA-N 2 1 285.476 2.198 20 0 CEADMP COCC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000449174747 282131298 /nfs/dbraw/zinc/13/12/98/282131298.db2.gz QASKQWYRTABEPJ-XSCHDIRWSA-N 2 1 254.418 2.264 20 0 CEADMP COCC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000449174747 282131302 /nfs/dbraw/zinc/13/13/02/282131302.db2.gz QASKQWYRTABEPJ-XSCHDIRWSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000125641617 365680684 /nfs/dbraw/zinc/68/06/84/365680684.db2.gz SGHKRTWAMGWIHI-LLVKDONJSA-N 2 1 254.324 2.396 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000125641617 365680692 /nfs/dbraw/zinc/68/06/92/365680692.db2.gz SGHKRTWAMGWIHI-LLVKDONJSA-N 2 1 254.324 2.396 20 0 CEADMP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601334805 346823728 /nfs/dbraw/zinc/82/37/28/346823728.db2.gz OGZPZWBGMFEBAQ-CVEARBPZSA-N 2 1 288.391 2.047 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601334805 346823729 /nfs/dbraw/zinc/82/37/29/346823729.db2.gz OGZPZWBGMFEBAQ-CVEARBPZSA-N 2 1 288.391 2.047 20 0 CEADMP CCOc1cncc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000621362293 349577323 /nfs/dbraw/zinc/57/73/23/349577323.db2.gz VKHASACWJPOXLL-CQSZACIVSA-N 2 1 277.412 2.302 20 0 CEADMP CCOc1cncc(CNC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000621369285 349581588 /nfs/dbraw/zinc/58/15/88/349581588.db2.gz KVAYIERMDUQUOH-CQSZACIVSA-N 2 1 277.412 2.443 20 0 CEADMP CCOc1cncc(CNC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000621369285 349581591 /nfs/dbraw/zinc/58/15/91/349581591.db2.gz KVAYIERMDUQUOH-CQSZACIVSA-N 2 1 277.412 2.443 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCC[NH+]1CCCCC1 ZINC000036908160 361870301 /nfs/dbraw/zinc/87/03/01/361870301.db2.gz YFFGSQBFJOJXRO-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000036908160 361870302 /nfs/dbraw/zinc/87/03/02/361870302.db2.gz YFFGSQBFJOJXRO-PMPSAXMXSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000036908160 361870303 /nfs/dbraw/zinc/87/03/03/361870303.db2.gz YFFGSQBFJOJXRO-PMPSAXMXSA-N 3 1 267.461 2.181 20 0 CEADMP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037318652 361902122 /nfs/dbraw/zinc/90/21/22/361902122.db2.gz FNGWQXKKRMIZOM-HUUCEWRRSA-N 2 1 252.402 2.160 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]CCCn1cc[nH+]c1C ZINC000337943367 214322859 /nfs/dbraw/zinc/32/28/59/214322859.db2.gz NRFQVOCEIDWXQU-UHFFFAOYSA-N 2 1 283.379 2.328 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2C)C1(C)C ZINC000338010075 214358781 /nfs/dbraw/zinc/35/87/81/214358781.db2.gz DIJSTDJNXYSBIF-ZIAGYGMSSA-N 2 1 265.401 2.375 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000338011761 214358797 /nfs/dbraw/zinc/35/87/97/214358797.db2.gz OPMGXMSTHBKDQR-MRXNPFEDSA-N 2 1 288.439 2.262 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000338012920 214359655 /nfs/dbraw/zinc/35/96/55/214359655.db2.gz PFZARVQWRJIARA-LSDHHAIUSA-N 2 1 265.401 2.376 20 0 CEADMP C[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)[N@H+]1CCCC[C@H]1C ZINC000621642555 349650199 /nfs/dbraw/zinc/65/01/99/349650199.db2.gz QGCRAVNWVBVSEV-PMPSAXMXSA-N 2 1 295.471 2.145 20 0 CEADMP CCOc1ccc(CN(C)CC2C[NH+](C)C2)cc1OC ZINC000668537248 539192404 /nfs/dbraw/zinc/19/24/04/539192404.db2.gz CQFFAVBAHDAINQ-UHFFFAOYSA-N 2 1 278.396 2.087 20 0 CEADMP C(C[C@H]1CCOC1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668586206 539204354 /nfs/dbraw/zinc/20/43/54/539204354.db2.gz BEAPWRLGPMGNLK-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP C(C[C@H]1CCOC1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668586206 539204356 /nfs/dbraw/zinc/20/43/56/539204356.db2.gz BEAPWRLGPMGNLK-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP CCO[C@H]1CCC[N@@H+](CCCCn2ccnc2C)C1 ZINC000125525256 539219308 /nfs/dbraw/zinc/21/93/08/539219308.db2.gz QNWXIUCWKUGFFW-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP CCO[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125525256 539219309 /nfs/dbraw/zinc/21/93/09/539219309.db2.gz QNWXIUCWKUGFFW-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP CCO[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125525256 539219311 /nfs/dbraw/zinc/21/93/11/539219311.db2.gz QNWXIUCWKUGFFW-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP CCc1nn(C)cc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000092365248 539231424 /nfs/dbraw/zinc/23/14/24/539231424.db2.gz NKVBAFYKVVWEEA-AWEZNQCLSA-N 2 1 278.444 2.337 20 0 CEADMP CCc1nn(C)cc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000092365248 539231426 /nfs/dbraw/zinc/23/14/26/539231426.db2.gz NKVBAFYKVVWEEA-AWEZNQCLSA-N 2 1 278.444 2.337 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000567747875 299085734 /nfs/dbraw/zinc/08/57/34/299085734.db2.gz CARYIYSRLDMKGY-ROUUACIJSA-N 2 1 290.451 2.271 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC(F)(F)F ZINC000371291963 282215184 /nfs/dbraw/zinc/21/51/84/282215184.db2.gz AJRSOGXGZVOOGL-UTUOFQBUSA-N 2 1 280.334 2.122 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCC(F)(F)F ZINC000371291963 282215187 /nfs/dbraw/zinc/21/51/87/282215187.db2.gz AJRSOGXGZVOOGL-UTUOFQBUSA-N 2 1 280.334 2.122 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000183321871 282215806 /nfs/dbraw/zinc/21/58/06/282215806.db2.gz YIQSEHUBGGSJQN-IUODEOHRSA-N 2 1 287.411 2.302 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000042341501 362085548 /nfs/dbraw/zinc/08/55/48/362085548.db2.gz VSWKRQAMFVXCDG-WFASDCNBSA-N 2 1 282.815 2.447 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@@H]1[NH3+] ZINC000336625656 365737617 /nfs/dbraw/zinc/73/76/17/365737617.db2.gz MSVNAUJEWOXEGO-WBMJQRKESA-N 2 1 288.370 2.181 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@@H]1[NH3+] ZINC000336625656 365737621 /nfs/dbraw/zinc/73/76/21/365737621.db2.gz MSVNAUJEWOXEGO-WBMJQRKESA-N 2 1 288.370 2.181 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccccc1 ZINC000042895013 362128729 /nfs/dbraw/zinc/12/87/29/362128729.db2.gz QHGQSSUDUGEYFW-IJEWVQPXSA-N 2 1 262.397 2.384 20 0 CEADMP CC[C@H]1C[C@@H](C[N@@H+](C)CCCN(C)CC[NH+](C)C)CCO1 ZINC000567794994 299092397 /nfs/dbraw/zinc/09/23/97/299092397.db2.gz SNOSQRIFCMERIJ-IRXDYDNUSA-N 2 1 299.503 2.007 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CO)CC1 ZINC000675925642 539308273 /nfs/dbraw/zinc/30/82/73/539308273.db2.gz KWPIDRNGNYYROL-WBVHZDCISA-N 2 1 288.435 2.259 20 0 CEADMP CC[C@@H]1C[N@H+](CCCn2cc[nH+]c2C)CCCO1 ZINC000336693453 365762025 /nfs/dbraw/zinc/76/20/25/365762025.db2.gz KXXQTNHMCDZFBA-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)CCCO1 ZINC000336693453 365762028 /nfs/dbraw/zinc/76/20/28/365762028.db2.gz KXXQTNHMCDZFBA-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000336696143 365763825 /nfs/dbraw/zinc/76/38/25/365763825.db2.gz FFQPJKWRCHCOLP-AWEZNQCLSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CC2CCOCC2)CC1 ZINC000336698872 365765464 /nfs/dbraw/zinc/76/54/64/365765464.db2.gz GJCQSYAJLOCHLJ-UHFFFAOYSA-N 2 1 254.418 2.218 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000052209596 343558743 /nfs/dbraw/zinc/55/87/43/343558743.db2.gz SIVOHGDLMLUPAC-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CO[C@H](C)C[N@H+](CCCn1cc[nH+]c1C)C(C)C ZINC000336704041 365769080 /nfs/dbraw/zinc/76/90/80/365769080.db2.gz HHHJCWWYPRRRQC-CYBMUJFWSA-N 2 1 253.390 2.327 20 0 CEADMP CO[C@H](C)C[N@@H+](CCCn1cc[nH+]c1C)C(C)C ZINC000336704041 365769086 /nfs/dbraw/zinc/76/90/86/365769086.db2.gz HHHJCWWYPRRRQC-CYBMUJFWSA-N 2 1 253.390 2.327 20 0 CEADMP CC[C@H](O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336719480 365782754 /nfs/dbraw/zinc/78/27/54/365782754.db2.gz SIDJGASGZRIOMK-SQNIBIBYSA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@H](O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336719480 365782761 /nfs/dbraw/zinc/78/27/61/365782761.db2.gz SIDJGASGZRIOMK-SQNIBIBYSA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@H](O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336719480 365782766 /nfs/dbraw/zinc/78/27/66/365782766.db2.gz SIDJGASGZRIOMK-SQNIBIBYSA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336719475 365782831 /nfs/dbraw/zinc/78/28/31/365782831.db2.gz SIDJGASGZRIOMK-KSZLIROESA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336719475 365782844 /nfs/dbraw/zinc/78/28/44/365782844.db2.gz SIDJGASGZRIOMK-KSZLIROESA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336719475 365782850 /nfs/dbraw/zinc/78/28/50/365782850.db2.gz SIDJGASGZRIOMK-KSZLIROESA-N 2 1 288.435 2.211 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128449639 365790814 /nfs/dbraw/zinc/79/08/14/365790814.db2.gz KNSJWTSNDDLHSO-XHSDSOJGSA-N 2 1 276.428 2.441 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCF)[C@H](C)C1 ZINC000126892135 187269025 /nfs/dbraw/zinc/26/90/25/187269025.db2.gz SRWWXBCWVCVSAE-KGLIPLIRSA-N 2 1 260.397 2.073 20 0 CEADMP C[C@@H]1C[C@H](NCCC[NH+]2CCC(C)CC2)C[N@H+]1C1CC1 ZINC000128593815 365797936 /nfs/dbraw/zinc/79/79/36/365797936.db2.gz MDGOXKQJPFCDFA-CVEARBPZSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOCC(C)C)C1 ZINC000336783569 365798874 /nfs/dbraw/zinc/79/88/74/365798874.db2.gz BOLLADKJZFXBNT-HNNXBMFYSA-N 2 1 256.434 2.323 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOCC(C)C)C1 ZINC000336783569 365798884 /nfs/dbraw/zinc/79/88/84/365798884.db2.gz BOLLADKJZFXBNT-HNNXBMFYSA-N 2 1 256.434 2.323 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOCC(C)C)C1 ZINC000336783569 365798891 /nfs/dbraw/zinc/79/88/91/365798891.db2.gz BOLLADKJZFXBNT-HNNXBMFYSA-N 2 1 256.434 2.323 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOCC(C)C)C1 ZINC000336783569 365798897 /nfs/dbraw/zinc/79/88/97/365798897.db2.gz BOLLADKJZFXBNT-HNNXBMFYSA-N 2 1 256.434 2.323 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCn2nc(C)cc2C)C1 ZINC000076004951 343875838 /nfs/dbraw/zinc/87/58/38/343875838.db2.gz QJAPJILJZGMARH-MRXNPFEDSA-N 2 1 278.444 2.164 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCn2nc(C)cc2C)C1 ZINC000076004951 343875839 /nfs/dbraw/zinc/87/58/39/343875839.db2.gz QJAPJILJZGMARH-MRXNPFEDSA-N 2 1 278.444 2.164 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000077313201 343916868 /nfs/dbraw/zinc/91/68/68/343916868.db2.gz FODOFUMOEGMLJK-UHFFFAOYSA-N 2 1 292.471 2.407 20 0 CEADMP CN(C)c1nc(NC[C@H](c2cccs2)[NH+](C)C)cc[nH+]1 ZINC000077485931 343921415 /nfs/dbraw/zinc/92/14/15/343921415.db2.gz BOGMGRFSNVZFAV-LLVKDONJSA-N 2 1 291.424 2.319 20 0 CEADMP CCc1cnc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000567990543 299105761 /nfs/dbraw/zinc/10/57/61/299105761.db2.gz GOMJAKXIZRBECO-CYBMUJFWSA-N 2 1 263.385 2.059 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccccc1 ZINC000089721991 344128176 /nfs/dbraw/zinc/12/81/76/344128176.db2.gz RWABGOJDEWJMKU-LZWOXQAQSA-N 2 1 262.397 2.384 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(NC2CC[NH+](C3CC3)CC2)n1 ZINC000092886828 344205654 /nfs/dbraw/zinc/20/56/54/344205654.db2.gz VQPJGTKNUUJPNA-UHFFFAOYSA-N 2 1 298.394 2.009 20 0 CEADMP CC(C)Oc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000107578078 344261037 /nfs/dbraw/zinc/26/10/37/344261037.db2.gz LBSDREHIHDLFRB-HUUCEWRRSA-N 2 1 260.381 2.125 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC(=O)NC1CCCCC1 ZINC000128693456 365801102 /nfs/dbraw/zinc/80/11/02/365801102.db2.gz FTLUPTGNBUSJBG-IIAWOOMASA-N 2 1 295.471 2.144 20 0 CEADMP [NH3+]CCC1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000130663521 344354456 /nfs/dbraw/zinc/35/44/56/344354456.db2.gz DAIDLKZIPNRIAI-UHFFFAOYSA-N 2 1 298.228 2.405 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)[C@H](C)C1 ZINC000449716564 282340084 /nfs/dbraw/zinc/34/00/84/282340084.db2.gz CXRYAYAWOLXTKT-CHWSQXEVSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(F)cc1F ZINC000162985709 344469379 /nfs/dbraw/zinc/46/93/79/344469379.db2.gz NTLQFWBEVPBSBG-ABAIWWIYSA-N 2 1 268.351 2.437 20 0 CEADMP CCO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449719444 282341666 /nfs/dbraw/zinc/34/16/66/282341666.db2.gz QQRRMNMUXRSMNO-IAGOWNOFSA-N 2 1 296.455 2.177 20 0 CEADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C2 ZINC000192442229 344517121 /nfs/dbraw/zinc/51/71/21/344517121.db2.gz DXYFGLMEKJQPME-GDBMZVCRSA-N 2 1 288.435 2.484 20 0 CEADMP CC(C)n1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000226243046 344548462 /nfs/dbraw/zinc/54/84/62/344548462.db2.gz DFTNNSJIDHUEAB-AWEZNQCLSA-N 2 1 264.417 2.284 20 0 CEADMP CC(C)n1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000226243046 344548465 /nfs/dbraw/zinc/54/84/65/344548465.db2.gz DFTNNSJIDHUEAB-AWEZNQCLSA-N 2 1 264.417 2.284 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000229404745 344567671 /nfs/dbraw/zinc/56/76/71/344567671.db2.gz GLPDIQOKDKKDKQ-OAHLLOKOSA-N 2 1 295.471 2.132 20 0 CEADMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)Nc1ccccc1 ZINC000051691824 362434185 /nfs/dbraw/zinc/43/41/85/362434185.db2.gz NTVFISVEOFPXAZ-GFCCVEGCSA-N 2 1 258.369 2.107 20 0 CEADMP CCC[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000050193386 362409864 /nfs/dbraw/zinc/40/98/64/362409864.db2.gz NULZNDPKGBNVKA-OAHLLOKOSA-N 2 1 254.418 2.098 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CCC1CC[NH2+]CC1 ZINC000262995924 344656014 /nfs/dbraw/zinc/65/60/14/344656014.db2.gz OFMPDLQJQHJFBN-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000308635986 344727955 /nfs/dbraw/zinc/72/79/55/344727955.db2.gz PWZKASHIIWSKSP-KGLIPLIRSA-N 2 1 254.418 2.002 20 0 CEADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449759584 282357611 /nfs/dbraw/zinc/35/76/11/282357611.db2.gz YQPUWTYZZZPMSD-LXTVHRRPSA-N 2 1 252.402 2.160 20 0 CEADMP COC(=O)c1csc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000602558480 347076735 /nfs/dbraw/zinc/07/67/35/347076735.db2.gz BJCWGWSLCNPVEG-JQWIXIFHSA-N 2 1 282.409 2.107 20 0 CEADMP COC(=O)c1csc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000602558480 347076739 /nfs/dbraw/zinc/07/67/39/347076739.db2.gz BJCWGWSLCNPVEG-JQWIXIFHSA-N 2 1 282.409 2.107 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000623013896 349916904 /nfs/dbraw/zinc/91/69/04/349916904.db2.gz ISJQKCHHAFUICC-UHFFFAOYSA-N 2 1 293.374 2.438 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000568051052 299113492 /nfs/dbraw/zinc/11/34/92/299113492.db2.gz UUHLXUQNZHXZRQ-ZWKOTPCHSA-N 2 1 290.451 2.220 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H](C)O1 ZINC000568050832 299113855 /nfs/dbraw/zinc/11/38/55/299113855.db2.gz IDIPSDSVKSJEKT-DYVFJYSZSA-N 2 1 274.408 2.332 20 0 CEADMP CSCC1CCC([NH2+]CCc2c[nH+]cn2C)CC1 ZINC000401646450 344869085 /nfs/dbraw/zinc/86/90/85/344869085.db2.gz LQGXOZGZVFGROJ-UHFFFAOYSA-N 2 1 267.442 2.474 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])o1 ZINC000404438426 344879961 /nfs/dbraw/zinc/87/99/61/344879961.db2.gz SMLXGDSXVMTFFA-WCQYABFASA-N 2 1 280.368 2.016 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])o1 ZINC000404438426 344879964 /nfs/dbraw/zinc/87/99/64/344879964.db2.gz SMLXGDSXVMTFFA-WCQYABFASA-N 2 1 280.368 2.016 20 0 CEADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000584718925 344979651 /nfs/dbraw/zinc/97/96/51/344979651.db2.gz BBOHEYDNVFMBJX-LSDHHAIUSA-N 2 1 283.460 2.081 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2-n2cncn2)C1 ZINC000588689393 345051607 /nfs/dbraw/zinc/05/16/07/345051607.db2.gz QAOXAIMCTZFLJI-OAHLLOKOSA-N 2 1 299.422 2.087 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000590126664 345115987 /nfs/dbraw/zinc/11/59/87/345115987.db2.gz VBOHAZLCTHVWOX-INIZCTEOSA-N 2 1 264.413 2.211 20 0 CEADMP Cc1noc([C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000056522617 362561040 /nfs/dbraw/zinc/56/10/40/362561040.db2.gz WMGULUASYNZCQC-LLVKDONJSA-N 2 1 266.389 2.103 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(Cc2nc(C3CC3)no2)CC1 ZINC000590786308 345180541 /nfs/dbraw/zinc/18/05/41/345180541.db2.gz PHAMDMKZWSVNHY-UHFFFAOYSA-N 2 1 292.427 2.499 20 0 CEADMP CCS[C@H]1CCCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000590603064 345150951 /nfs/dbraw/zinc/15/09/51/345150951.db2.gz PYTYWQIUIXZFGF-CABCVRRESA-N 2 1 288.501 2.295 20 0 CEADMP CCS[C@H]1CCCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000590603064 345150955 /nfs/dbraw/zinc/15/09/55/345150955.db2.gz PYTYWQIUIXZFGF-CABCVRRESA-N 2 1 288.501 2.295 20 0 CEADMP CCS[C@H]1CCCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000590603064 345150958 /nfs/dbraw/zinc/15/09/58/345150958.db2.gz PYTYWQIUIXZFGF-CABCVRRESA-N 2 1 288.501 2.295 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591867710 345290045 /nfs/dbraw/zinc/29/00/45/345290045.db2.gz RVEICPAWOWRJNA-UONOGXRCSA-N 2 1 292.427 2.213 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@@H](n2ccnc2)C1 ZINC000591867710 345290046 /nfs/dbraw/zinc/29/00/46/345290046.db2.gz RVEICPAWOWRJNA-UONOGXRCSA-N 2 1 292.427 2.213 20 0 CEADMP COC(=O)CC[N@@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000592431280 345352532 /nfs/dbraw/zinc/35/25/32/345352532.db2.gz PIUFTYUXJRFCHG-KRWDZBQOSA-N 2 1 290.407 2.051 20 0 CEADMP CCOC(=O)CC[N@H+](CCCc1c[nH+]cn1C)C(C)C ZINC000594052051 345574156 /nfs/dbraw/zinc/57/41/56/345574156.db2.gz YFWJCQNNDZHRQV-UHFFFAOYSA-N 2 1 281.400 2.016 20 0 CEADMP CCOC(=O)CC[N@@H+](CCCc1c[nH+]cn1C)C(C)C ZINC000594052051 345574158 /nfs/dbraw/zinc/57/41/58/345574158.db2.gz YFWJCQNNDZHRQV-UHFFFAOYSA-N 2 1 281.400 2.016 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnn(C(C)(C)C)c1)C[NH+]1CCCC1 ZINC000057994581 362605087 /nfs/dbraw/zinc/60/50/87/362605087.db2.gz CYYFWUOSJXZSNS-AWEZNQCLSA-N 2 1 278.444 2.460 20 0 CEADMP CC(C)=CCC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595341572 345765015 /nfs/dbraw/zinc/76/50/15/345765015.db2.gz WSBUVMYEXYWPIX-KRWDZBQOSA-N 2 1 279.472 2.443 20 0 CEADMP Cc1cccc(OCC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000156100351 232235068 /nfs/dbraw/zinc/23/50/68/232235068.db2.gz TYVWRYMQOQLPIY-CABCVRRESA-N 2 1 262.397 2.446 20 0 CEADMP Cc1cccc(OCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000156100351 232235070 /nfs/dbraw/zinc/23/50/70/232235070.db2.gz TYVWRYMQOQLPIY-CABCVRRESA-N 2 1 262.397 2.446 20 0 CEADMP COCCSCCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504384 345797599 /nfs/dbraw/zinc/79/75/99/345797599.db2.gz IDQKHSQDMVNGQS-OAHLLOKOSA-N 2 1 286.485 2.174 20 0 CEADMP COCCSCCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595504384 345797602 /nfs/dbraw/zinc/79/76/02/345797602.db2.gz IDQKHSQDMVNGQS-OAHLLOKOSA-N 2 1 286.485 2.174 20 0 CEADMP COCCSCCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595504384 345797606 /nfs/dbraw/zinc/79/76/06/345797606.db2.gz IDQKHSQDMVNGQS-OAHLLOKOSA-N 2 1 286.485 2.174 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000178443347 232373201 /nfs/dbraw/zinc/37/32/01/232373201.db2.gz AXUYAVLTWLCHFJ-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000178443347 232373205 /nfs/dbraw/zinc/37/32/05/232373205.db2.gz AXUYAVLTWLCHFJ-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCOCC1 ZINC000598962291 346438632 /nfs/dbraw/zinc/43/86/32/346438632.db2.gz UQNXUUYQLRSTJT-CYBMUJFWSA-N 2 1 286.485 2.361 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1(C(=O)OC)CCC1 ZINC000599071666 346455994 /nfs/dbraw/zinc/45/59/94/346455994.db2.gz SDUTUXPZWBVQAB-GJZGRUSLSA-N 2 1 296.455 2.430 20 0 CEADMP COC1(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000336795549 365818290 /nfs/dbraw/zinc/81/82/90/365818290.db2.gz LJCZMMWYJUTTON-KBPBESRZSA-N 2 1 252.402 2.162 20 0 CEADMP COC1(CC[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000336794950 365818331 /nfs/dbraw/zinc/81/83/31/365818331.db2.gz GWXXDKGPFXMNSH-UHFFFAOYSA-N 2 1 252.402 2.162 20 0 CEADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCCCC1 ZINC000599300745 346493908 /nfs/dbraw/zinc/49/39/08/346493908.db2.gz GFEJPQCCECYVDK-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCCCC(=O)OC)CC1 ZINC000599315549 346497394 /nfs/dbraw/zinc/49/73/94/346497394.db2.gz KHEHCBSITCDPLO-UHFFFAOYSA-N 2 1 270.417 2.136 20 0 CEADMP C[C@H](O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000336805136 365839375 /nfs/dbraw/zinc/83/93/75/365839375.db2.gz SYEPCKLVJGTWIS-HRCADAONSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@H](O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000336805136 365839380 /nfs/dbraw/zinc/83/93/80/365839380.db2.gz SYEPCKLVJGTWIS-HRCADAONSA-N 2 1 268.445 2.344 20 0 CEADMP COCC[C@@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)C ZINC000459443698 290150460 /nfs/dbraw/zinc/15/04/60/290150460.db2.gz QEHABEYIGRQCFM-CYBMUJFWSA-N 2 1 253.390 2.003 20 0 CEADMP CCOC1(C)CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000336816670 365859006 /nfs/dbraw/zinc/85/90/06/365859006.db2.gz MXSOOXKVWMFQOE-UHFFFAOYSA-N 2 1 265.401 2.473 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336814653 365856460 /nfs/dbraw/zinc/85/64/60/365856460.db2.gz XRDJEMITOKNDHG-SDDRHHMPSA-N 2 1 282.350 2.416 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336814653 365856465 /nfs/dbraw/zinc/85/64/65/365856465.db2.gz XRDJEMITOKNDHG-SDDRHHMPSA-N 2 1 282.350 2.416 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C1([NH3+])CCCCC1 ZINC000236909910 370651955 /nfs/dbraw/zinc/65/19/55/370651955.db2.gz YVFXLBMIARWIDY-CQSZACIVSA-N 2 1 281.444 2.029 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC2CCOCC2)C1 ZINC000336816328 365859979 /nfs/dbraw/zinc/85/99/79/365859979.db2.gz LPFPQPVVTKSAFB-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC000336816328 365859980 /nfs/dbraw/zinc/85/99/80/365859980.db2.gz LPFPQPVVTKSAFB-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC000336816328 365859984 /nfs/dbraw/zinc/85/99/84/365859984.db2.gz LPFPQPVVTKSAFB-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2)CC[N@H+]1C ZINC000129464332 365860454 /nfs/dbraw/zinc/86/04/54/365860454.db2.gz RQOGVFHVYUGGEJ-DOMZBBRYSA-N 2 1 250.361 2.441 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+]C2CCSCC2)CC1 ZINC000603517382 347377534 /nfs/dbraw/zinc/37/75/34/347377534.db2.gz SVPKNNNTIHWZTE-HNNXBMFYSA-N 2 1 284.469 2.115 20 0 CEADMP CC(C)n1ccnc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000606432906 347471707 /nfs/dbraw/zinc/47/17/07/347471707.db2.gz VQNSDNHEQSSFJF-UHFFFAOYSA-N 2 1 264.417 2.238 20 0 CEADMP CC(C)n1ccnc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000606432906 347471709 /nfs/dbraw/zinc/47/17/09/347471709.db2.gz VQNSDNHEQSSFJF-UHFFFAOYSA-N 2 1 264.417 2.238 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H](C)c1nccs1)N1CC[NH+](C)CC1 ZINC000086510233 179303995 /nfs/dbraw/zinc/30/39/95/179303995.db2.gz SJGNLUAXDIXYMS-KBPBESRZSA-N 2 1 296.484 2.066 20 0 CEADMP CCc1ccc(CNCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000130239231 365935814 /nfs/dbraw/zinc/93/58/14/365935814.db2.gz RFCCLSJBJSVVLS-OKILXGFUSA-N 2 1 280.412 2.431 20 0 CEADMP CCc1ccc(CNCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000130239231 365935819 /nfs/dbraw/zinc/93/58/19/365935819.db2.gz RFCCLSJBJSVVLS-OKILXGFUSA-N 2 1 280.412 2.431 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC000130416979 365953714 /nfs/dbraw/zinc/95/37/14/365953714.db2.gz KLGYTACWCFCWBF-KRWDZBQOSA-N 2 1 279.472 2.279 20 0 CEADMP CC(C)[C@H](C[N@@H+]1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000339406516 215151071 /nfs/dbraw/zinc/15/10/71/215151071.db2.gz IZDFASBAIDDUPY-CVEARBPZSA-N 2 1 262.397 2.086 20 0 CEADMP CC(C)[C@H](C[N@H+]1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000339406516 215151075 /nfs/dbraw/zinc/15/10/75/215151075.db2.gz IZDFASBAIDDUPY-CVEARBPZSA-N 2 1 262.397 2.086 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000339407116 215152600 /nfs/dbraw/zinc/15/26/00/215152600.db2.gz LGWHMHDBEMICCI-OAHLLOKOSA-N 2 1 262.397 2.387 20 0 CEADMP CN(C)[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128873672 187395952 /nfs/dbraw/zinc/39/59/52/187395952.db2.gz SOXSLFVRXJBFQV-CVEARBPZSA-N 2 1 261.413 2.021 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(N)=O)cc2)CC1(C)C ZINC000623352969 349995679 /nfs/dbraw/zinc/99/56/79/349995679.db2.gz VTVKYLSKXZSKSL-CQSZACIVSA-N 2 1 290.411 2.140 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(N)=O)cc2)CC1(C)C ZINC000623352969 349995683 /nfs/dbraw/zinc/99/56/83/349995683.db2.gz VTVKYLSKXZSKSL-CQSZACIVSA-N 2 1 290.411 2.140 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)ccn1 ZINC000623353150 349995745 /nfs/dbraw/zinc/99/57/45/349995745.db2.gz BLSBVXUXUXDBFZ-CYBMUJFWSA-N 2 1 263.385 2.053 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)ccn1 ZINC000623353150 349995749 /nfs/dbraw/zinc/99/57/49/349995749.db2.gz BLSBVXUXUXDBFZ-CYBMUJFWSA-N 2 1 263.385 2.053 20 0 CEADMP C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCCCCC1 ZINC000617013642 348613035 /nfs/dbraw/zinc/61/30/35/348613035.db2.gz YEWWHVNOKCYOLD-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1cnc(C[N@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000357333896 233047830 /nfs/dbraw/zinc/04/78/30/233047830.db2.gz MQVXREWHAKQSRV-UHFFFAOYSA-N 2 1 253.415 2.225 20 0 CEADMP Cc1cnc(C[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000357333896 233047832 /nfs/dbraw/zinc/04/78/32/233047832.db2.gz MQVXREWHAKQSRV-UHFFFAOYSA-N 2 1 253.415 2.225 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339072104 539658172 /nfs/dbraw/zinc/65/81/72/539658172.db2.gz TULBXZOALZOVNK-IKGGRYGDSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339072104 539658177 /nfs/dbraw/zinc/65/81/77/539658177.db2.gz TULBXZOALZOVNK-IKGGRYGDSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339072104 539658182 /nfs/dbraw/zinc/65/81/82/539658182.db2.gz TULBXZOALZOVNK-IKGGRYGDSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339072104 539658187 /nfs/dbraw/zinc/65/81/87/539658187.db2.gz TULBXZOALZOVNK-IKGGRYGDSA-N 3 1 279.472 2.323 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339072104 539658192 /nfs/dbraw/zinc/65/81/92/539658192.db2.gz TULBXZOALZOVNK-IKGGRYGDSA-N 3 1 279.472 2.323 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339072104 539658196 /nfs/dbraw/zinc/65/81/96/539658196.db2.gz TULBXZOALZOVNK-IKGGRYGDSA-N 3 1 279.472 2.323 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339072104 539658201 /nfs/dbraw/zinc/65/82/01/539658201.db2.gz TULBXZOALZOVNK-IKGGRYGDSA-N 3 1 279.472 2.323 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC[C@@H](C)CC1 ZINC000617502726 348717451 /nfs/dbraw/zinc/71/74/51/348717451.db2.gz ZVCWGUJNHUUOSL-JYJNAYRXSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CC[C@@H](C)CC1 ZINC000617502726 348717456 /nfs/dbraw/zinc/71/74/56/348717456.db2.gz ZVCWGUJNHUUOSL-JYJNAYRXSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000617505472 348718196 /nfs/dbraw/zinc/71/81/96/348718196.db2.gz DNVOICBDBRLYSA-HRCADAONSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000617505472 348718199 /nfs/dbraw/zinc/71/81/99/348718199.db2.gz DNVOICBDBRLYSA-HRCADAONSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1=CC[C@H](C)CC1 ZINC000617503390 348718887 /nfs/dbraw/zinc/71/88/87/348718887.db2.gz HFSTVELEBITRIE-GJZGRUSLSA-N 2 1 295.471 2.121 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1=CC[C@H](C)CC1 ZINC000617503390 348718889 /nfs/dbraw/zinc/71/88/89/348718889.db2.gz HFSTVELEBITRIE-GJZGRUSLSA-N 2 1 295.471 2.121 20 0 CEADMP Cc1nccn1CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339071065 539659702 /nfs/dbraw/zinc/65/97/02/539659702.db2.gz QBFMHAORFBDTTO-HOTGVXAUSA-N 2 1 276.428 2.188 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339071065 539659705 /nfs/dbraw/zinc/65/97/05/539659705.db2.gz QBFMHAORFBDTTO-HOTGVXAUSA-N 3 1 276.428 2.188 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339071065 539659709 /nfs/dbraw/zinc/65/97/09/539659709.db2.gz QBFMHAORFBDTTO-HOTGVXAUSA-N 3 1 276.428 2.188 20 0 CEADMP CC1CC[NH+](CCNC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339266932 539682301 /nfs/dbraw/zinc/68/23/01/539682301.db2.gz ZKQUCJMFGXBWMG-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@](C)(O)C2CCCCC2)CC1 ZINC000357800597 233148686 /nfs/dbraw/zinc/14/86/86/233148686.db2.gz JPLWNMOCMHLWJC-QGZVFWFLSA-N 2 1 298.471 2.018 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000401714672 233185126 /nfs/dbraw/zinc/18/51/26/233185126.db2.gz KJUMKPQTGBHLIC-UHFFFAOYSA-N 2 1 259.397 2.377 20 0 CEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC000459776007 290236126 /nfs/dbraw/zinc/23/61/26/290236126.db2.gz JUXVZGVJWDRKTI-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP Cn1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(C(C)(C)C)n1 ZINC000414896294 282643033 /nfs/dbraw/zinc/64/30/33/282643033.db2.gz BJSQPPHSFQEMQU-INIZCTEOSA-N 2 1 278.444 2.197 20 0 CEADMP CCC(CC)[C@@H](C[NH2+]C[C@@H]1CCCOC1)[NH+](C)C ZINC000104310258 185963461 /nfs/dbraw/zinc/96/34/61/185963461.db2.gz RVMWCRVIZHFITC-DZGCQCFKSA-N 2 1 256.434 2.369 20 0 CEADMP COc1ccccc1OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250389092 539734684 /nfs/dbraw/zinc/73/46/84/539734684.db2.gz AZJGGXAUCHFAOY-CABCVRRESA-N 2 1 290.407 2.290 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000352044067 219300961 /nfs/dbraw/zinc/30/09/61/219300961.db2.gz DRFWLKVIIYDCFO-VGWMRTNUSA-N 2 1 295.471 2.237 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000620622080 349406143 /nfs/dbraw/zinc/40/61/43/349406143.db2.gz CXXNUUYKDJERJX-ZDUSSCGKSA-N 2 1 285.476 2.390 20 0 CEADMP CCCC[C@H](CC)CC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000339408134 539740541 /nfs/dbraw/zinc/74/05/41/539740541.db2.gz QJTQDEKWZDOCPJ-JKSUJKDBSA-N 2 1 297.487 2.380 20 0 CEADMP CC[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623384912 350006526 /nfs/dbraw/zinc/00/65/26/350006526.db2.gz RLJOJLOLHIDOHY-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623384912 350006529 /nfs/dbraw/zinc/00/65/29/350006529.db2.gz RLJOJLOLHIDOHY-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623384912 350006531 /nfs/dbraw/zinc/00/65/31/350006531.db2.gz RLJOJLOLHIDOHY-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623384912 350006533 /nfs/dbraw/zinc/00/65/33/350006533.db2.gz RLJOJLOLHIDOHY-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623384912 350006535 /nfs/dbraw/zinc/00/65/35/350006535.db2.gz RLJOJLOLHIDOHY-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623384912 350006540 /nfs/dbraw/zinc/00/65/40/350006540.db2.gz RLJOJLOLHIDOHY-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623413699 350013908 /nfs/dbraw/zinc/01/39/08/350013908.db2.gz DMNPMZQGMMYHEP-ZIAGYGMSSA-N 2 1 256.434 2.246 20 0 CEADMP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623436971 350020475 /nfs/dbraw/zinc/02/04/75/350020475.db2.gz LTLGDDYTBIZSHM-MJBXVCDLSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@@H](Cc1ccncc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623440802 350020839 /nfs/dbraw/zinc/02/08/39/350020839.db2.gz LISZJIMITDDCHK-ZFWWWQNUSA-N 2 1 261.413 2.475 20 0 CEADMP CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623445323 350023271 /nfs/dbraw/zinc/02/32/71/350023271.db2.gz MCVWESKUFWUZBF-QLFBSQMISA-N 2 1 267.461 2.178 20 0 CEADMP CC(C)[NH+]1C[C@@H](C)[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623445323 350023272 /nfs/dbraw/zinc/02/32/72/350023272.db2.gz MCVWESKUFWUZBF-QLFBSQMISA-N 2 1 267.461 2.178 20 0 CEADMP CC(C)[NH+]1C[C@@H](C)[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623445323 350023279 /nfs/dbraw/zinc/02/32/79/350023279.db2.gz MCVWESKUFWUZBF-QLFBSQMISA-N 2 1 267.461 2.178 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)CC1(C)C ZINC000623472167 350028437 /nfs/dbraw/zinc/02/84/37/350028437.db2.gz GXAIIZCXTFZQEX-CHWSQXEVSA-N 2 1 254.418 2.406 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@@H](O)C(F)(F)F ZINC000623478478 350030081 /nfs/dbraw/zinc/03/00/81/350030081.db2.gz MPLUREJZIJFACL-GARJFASQSA-N 2 1 282.350 2.151 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H](O)C(F)(F)F ZINC000623478478 350030082 /nfs/dbraw/zinc/03/00/82/350030082.db2.gz MPLUREJZIJFACL-GARJFASQSA-N 2 1 282.350 2.151 20 0 CEADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC000620645847 349412940 /nfs/dbraw/zinc/41/29/40/349412940.db2.gz QSLUIJNJJXBWID-GFCCVEGCSA-N 2 1 280.416 2.493 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCCn1cc[nH+]c1C ZINC000352051856 219303954 /nfs/dbraw/zinc/30/39/54/219303954.db2.gz FXPBAIZHUXFRQA-OAHLLOKOSA-N 2 1 294.443 2.255 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000623657597 350077281 /nfs/dbraw/zinc/07/72/81/350077281.db2.gz VDMCBUIYAKKKSX-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000623657597 350077286 /nfs/dbraw/zinc/07/72/86/350077286.db2.gz VDMCBUIYAKKKSX-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000623657719 350077369 /nfs/dbraw/zinc/07/73/69/350077369.db2.gz XKOYTCOUWJGGSC-CQSZACIVSA-N 2 1 277.412 2.302 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000623657719 350077370 /nfs/dbraw/zinc/07/73/70/350077370.db2.gz XKOYTCOUWJGGSC-CQSZACIVSA-N 2 1 277.412 2.302 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)CC[N@H+]1C ZINC000090721384 180031860 /nfs/dbraw/zinc/03/18/60/180031860.db2.gz YERPTKRQGHUKFM-ZBFHGGJFSA-N 2 1 284.407 2.445 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000090962632 180077242 /nfs/dbraw/zinc/07/72/42/180077242.db2.gz CBGFNCHWZLURKA-AWEZNQCLSA-N 2 1 289.423 2.467 20 0 CEADMP Cc1csc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC000623891013 350136274 /nfs/dbraw/zinc/13/62/74/350136274.db2.gz ANGOGTOJTYMQPS-UONOGXRCSA-N 2 1 297.468 2.339 20 0 CEADMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000624183626 350222070 /nfs/dbraw/zinc/22/20/70/350222070.db2.gz XSBZVVGNYVUTNG-AEKWLRTRSA-N 2 1 296.455 2.031 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123633 350201249 /nfs/dbraw/zinc/20/12/49/350201249.db2.gz PQTZNXYGCXEZIP-HOTGVXAUSA-N 2 1 278.444 2.229 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccnc1C ZINC000105442715 186057288 /nfs/dbraw/zinc/05/72/88/186057288.db2.gz FTSUTWXUXNUOMT-LBPRGKRZSA-N 2 1 258.369 2.321 20 0 CEADMP CCC1([NH+]2CCOCC2)CCN(c2cc(C)cc[nH+]2)CC1 ZINC000624703246 350343551 /nfs/dbraw/zinc/34/35/51/350343551.db2.gz NRMUZPZVHNLTKM-UHFFFAOYSA-N 2 1 289.423 2.471 20 0 CEADMP O[C@H]1CC[N@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000624776077 350358588 /nfs/dbraw/zinc/35/85/88/350358588.db2.gz XASFMVLUOZIXKJ-LBPRGKRZSA-N 2 1 291.782 2.367 20 0 CEADMP O[C@H]1CC[N@@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000624776077 350358591 /nfs/dbraw/zinc/35/85/91/350358591.db2.gz XASFMVLUOZIXKJ-LBPRGKRZSA-N 2 1 291.782 2.367 20 0 CEADMP CCOC(=O)CCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876772 186082304 /nfs/dbraw/zinc/08/23/04/186082304.db2.gz MUWCJCPMMJYWFP-UHFFFAOYSA-N 2 1 293.411 2.018 20 0 CEADMP CCO[C@H](C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C)C1CC1 ZINC000625255936 350442976 /nfs/dbraw/zinc/44/29/76/350442976.db2.gz OZDNTLVVDXVPBZ-FVQBIDKESA-N 2 1 268.445 2.464 20 0 CEADMP CCO[C@H](C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C)C1CC1 ZINC000625255936 350442977 /nfs/dbraw/zinc/44/29/77/350442977.db2.gz OZDNTLVVDXVPBZ-FVQBIDKESA-N 2 1 268.445 2.464 20 0 CEADMP CCO[C@H](C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)C1CC1 ZINC000625255936 350442978 /nfs/dbraw/zinc/44/29/78/350442978.db2.gz OZDNTLVVDXVPBZ-FVQBIDKESA-N 2 1 268.445 2.464 20 0 CEADMP Cc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC000110758198 186319797 /nfs/dbraw/zinc/31/97/97/186319797.db2.gz RAOIBOZLIIILLV-UHFFFAOYSA-N 2 1 281.469 2.172 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000628202461 351002916 /nfs/dbraw/zinc/00/29/16/351002916.db2.gz VNJJAJQLOVMWNU-INIZCTEOSA-N 2 1 299.528 2.279 20 0 CEADMP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)C1 ZINC000628352088 351075235 /nfs/dbraw/zinc/07/52/35/351075235.db2.gz XDLOSGUYNZXVBF-KRWDZBQOSA-N 2 1 299.418 2.199 20 0 CEADMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)C1 ZINC000628352088 351075239 /nfs/dbraw/zinc/07/52/39/351075239.db2.gz XDLOSGUYNZXVBF-KRWDZBQOSA-N 2 1 299.418 2.199 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000628965431 351229007 /nfs/dbraw/zinc/22/90/07/351229007.db2.gz SLAFVPMIOJHEQT-DZGCQCFKSA-N 2 1 295.471 2.286 20 0 CEADMP Cc1cccc2c1C[C@H]([NH2+][C@H](C)c1c[nH+]ccc1N)CO2 ZINC000629512692 351382937 /nfs/dbraw/zinc/38/29/37/351382937.db2.gz BQSMCUKDXKGFSB-OLZOCXBDSA-N 2 1 283.375 2.457 20 0 CEADMP [NH3+]C1(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CCOCC1 ZINC000629522431 351388863 /nfs/dbraw/zinc/38/88/63/351388863.db2.gz ZWAXLTSASCOGLL-AWEZNQCLSA-N 2 1 280.799 2.425 20 0 CEADMP [NH3+]C1(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CCOCC1 ZINC000629525043 351390210 /nfs/dbraw/zinc/39/02/10/351390210.db2.gz QMQOFVSBNHSVKT-CQSZACIVSA-N 2 1 280.799 2.425 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000629537211 351399347 /nfs/dbraw/zinc/39/93/47/351399347.db2.gz JZBKAUISWIISBZ-MWDXBVQZSA-N 2 1 296.455 2.020 20 0 CEADMP CCO[C@@H]1C[N@H+](Cc2ccc(C(C)C)nc2C)C[C@H]1C[NH3+] ZINC000629541632 351402438 /nfs/dbraw/zinc/40/24/38/351402438.db2.gz YBRXLERQNYUZSN-NVXWUHKLSA-N 2 1 291.439 2.309 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccc(C(C)C)nc2C)C[C@H]1C[NH3+] ZINC000629541632 351402442 /nfs/dbraw/zinc/40/24/42/351402442.db2.gz YBRXLERQNYUZSN-NVXWUHKLSA-N 2 1 291.439 2.309 20 0 CEADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629408291 351354649 /nfs/dbraw/zinc/35/46/49/351354649.db2.gz SMCSPNTZVZIJLS-AEGPPILISA-N 2 1 292.423 2.365 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC1=Cc2ccccc2OC1 ZINC000629648877 351447118 /nfs/dbraw/zinc/44/71/18/351447118.db2.gz ZZKNSRMBOXQVJX-HNNXBMFYSA-N 2 1 260.381 2.425 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Cl)cc1C ZINC000629655564 351451714 /nfs/dbraw/zinc/45/17/14/351451714.db2.gz ZSQXCVXLWDHOAM-UHFFFAOYSA-N 2 1 270.804 2.316 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CCOc3ccccc31)C2 ZINC000629661692 351455338 /nfs/dbraw/zinc/45/53/38/351455338.db2.gz BKLOHMITHKLJOB-JCGIZDLHSA-N 2 1 286.419 2.484 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(F)cc1C(F)(F)F ZINC000629662924 351455850 /nfs/dbraw/zinc/45/58/50/351455850.db2.gz IGAHMQCDABZFFO-UHFFFAOYSA-N 2 1 294.292 2.252 20 0 CEADMP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629550323 351409560 /nfs/dbraw/zinc/40/95/60/351409560.db2.gz LQQZNJNJNCWMCD-NWDGAFQWSA-N 2 1 294.361 2.466 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000629556199 351412775 /nfs/dbraw/zinc/41/27/75/351412775.db2.gz NMGHCELXOVVGAE-IJEWVQPXSA-N 2 1 293.455 2.040 20 0 CEADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCOCC[NH2+]C ZINC000629572091 351418567 /nfs/dbraw/zinc/41/85/67/351418567.db2.gz VYOPCKGUMDURNT-OAHLLOKOSA-N 2 1 268.376 2.445 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(F)cc2cccnc21 ZINC000629571325 351419344 /nfs/dbraw/zinc/41/93/44/351419344.db2.gz SCBNGPCXQCRBFM-UHFFFAOYSA-N 2 1 291.370 2.042 20 0 CEADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000629579327 351420938 /nfs/dbraw/zinc/42/09/38/351420938.db2.gz RUFUOUGMLUBMMJ-NSHDSACASA-N 2 1 288.338 2.256 20 0 CEADMP Oc1cccc2c1CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000629581663 351422423 /nfs/dbraw/zinc/42/24/23/351422423.db2.gz FLZKLYCEACEXNX-CYBMUJFWSA-N 2 1 260.381 2.140 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000070170448 363043112 /nfs/dbraw/zinc/04/31/12/363043112.db2.gz JHFTZDHXADQALA-ZDUSSCGKSA-N 2 1 266.360 2.265 20 0 CEADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c1C ZINC000070170459 363043542 /nfs/dbraw/zinc/04/35/42/363043542.db2.gz IYQZCYOLIWQRCH-OAHLLOKOSA-N 2 1 289.423 2.303 20 0 CEADMP Cc1ccc2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cn2c1 ZINC000070170968 363044911 /nfs/dbraw/zinc/04/49/11/363044911.db2.gz MSUWTWOFYZOZOU-CQSZACIVSA-N 2 1 272.396 2.204 20 0 CEADMP CCc1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cs1 ZINC000070171128 363045199 /nfs/dbraw/zinc/04/51/99/363045199.db2.gz HIOQAKRWLOJHAQ-LLVKDONJSA-N 2 1 253.415 2.266 20 0 CEADMP C[NH+](C)C1(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000629945542 351546424 /nfs/dbraw/zinc/54/64/24/351546424.db2.gz FYBIMZMTEHOBAI-UHFFFAOYSA-N 2 1 287.407 2.315 20 0 CEADMP C[N@@H+](CC(=O)N1CC[NH+](CCC(C)(C)C)CC1)C1CCC1 ZINC000629951006 351549400 /nfs/dbraw/zinc/54/94/00/351549400.db2.gz KFPKALVRVHKBJT-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H]1CCO[C@H](C)C1)[NH+]1CCCC1 ZINC000070347400 363074734 /nfs/dbraw/zinc/07/47/34/363074734.db2.gz NAOWORWKBCEWIY-ILXRZTDVSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@@H+](CC(=O)NCCCCC[NH+]1CCCCC1)C1CCC1 ZINC000629959494 351555561 /nfs/dbraw/zinc/55/55/61/351555561.db2.gz DTERDNRTLIMHEV-UHFFFAOYSA-N 2 1 295.471 2.243 20 0 CEADMP FC(F)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000131251867 366035751 /nfs/dbraw/zinc/03/57/51/366035751.db2.gz KSNDMDHRPTVKFD-BETUJISGSA-N 2 1 252.308 2.275 20 0 CEADMP C[C@H]1C[C@@H](NCc2ccc(OCC3CC3)nc2)CC[N@H+]1C ZINC000131272632 366037621 /nfs/dbraw/zinc/03/76/21/366037621.db2.gz BJLJRRHONAVPGU-BBRMVZONSA-N 2 1 289.423 2.443 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CCN1C ZINC000131272632 366037625 /nfs/dbraw/zinc/03/76/25/366037625.db2.gz BJLJRRHONAVPGU-BBRMVZONSA-N 2 1 289.423 2.443 20 0 CEADMP C[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000569110093 299180417 /nfs/dbraw/zinc/18/04/17/299180417.db2.gz DVTDIOROJDVDKX-AWEZNQCLSA-N 2 1 288.391 2.382 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCC3)c2)CC[N@@H+]1C ZINC000131365288 366046089 /nfs/dbraw/zinc/04/60/89/366046089.db2.gz OIWGRWMIYWFXIK-HOCLYGCPSA-N 2 1 288.439 2.254 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCC3)c2)CC[N@H+]1C ZINC000131365288 366046095 /nfs/dbraw/zinc/04/60/95/366046095.db2.gz OIWGRWMIYWFXIK-HOCLYGCPSA-N 2 1 288.439 2.254 20 0 CEADMP C[N@H+]1CC[C@]2(CC1(C)C)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000630387580 351719750 /nfs/dbraw/zinc/71/97/50/351719750.db2.gz OQARTRLROAHCLA-INIZCTEOSA-N 2 1 298.394 2.143 20 0 CEADMP CCN(CC[NH3+])c1cc(C)[nH+]c2c(OC)cccc12 ZINC000630523248 351771902 /nfs/dbraw/zinc/77/19/02/351771902.db2.gz ILBQHQOVXKWZKL-UHFFFAOYSA-N 2 1 259.353 2.337 20 0 CEADMP COc1ccc([C@H](CN(C)C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000569120412 299182459 /nfs/dbraw/zinc/18/24/59/299182459.db2.gz GHRLMPMPXKKWDL-ZOBUZTSGSA-N 2 1 291.439 2.157 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cn1 ZINC000291742371 198077069 /nfs/dbraw/zinc/07/70/69/198077069.db2.gz OZTREXSJZOUISM-AWEZNQCLSA-N 2 1 278.444 2.214 20 0 CEADMP c1cncc(CC[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000123367570 187088004 /nfs/dbraw/zinc/08/80/04/187088004.db2.gz XAVKQWQNKVHMHV-UHFFFAOYSA-N 2 1 259.397 2.088 20 0 CEADMP Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000123398708 187089423 /nfs/dbraw/zinc/08/94/23/187089423.db2.gz NLXFRGYXNMWYNP-OAHLLOKOSA-N 2 1 262.397 2.495 20 0 CEADMP Cc1cc(C)cc(OCCC[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000123398708 187089424 /nfs/dbraw/zinc/08/94/24/187089424.db2.gz NLXFRGYXNMWYNP-OAHLLOKOSA-N 2 1 262.397 2.495 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000123592686 187099918 /nfs/dbraw/zinc/09/99/18/187099918.db2.gz VQXNIZSHTSPEED-WMLDXEAASA-N 3 1 275.440 2.321 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CCN1C ZINC000123592686 187099919 /nfs/dbraw/zinc/09/99/19/187099919.db2.gz VQXNIZSHTSPEED-WMLDXEAASA-N 2 1 275.440 2.321 20 0 CEADMP C[C@H]1C[C@H](NCc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000123592686 187099920 /nfs/dbraw/zinc/09/99/20/187099920.db2.gz VQXNIZSHTSPEED-WMLDXEAASA-N 2 1 275.440 2.321 20 0 CEADMP C[C@H]1C[C@H](NCc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000123592686 187099921 /nfs/dbraw/zinc/09/99/21/187099921.db2.gz VQXNIZSHTSPEED-WMLDXEAASA-N 2 1 275.440 2.321 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000123593106 187100088 /nfs/dbraw/zinc/10/00/88/187100088.db2.gz VQXNIZSHTSPEED-YOEHRIQHSA-N 3 1 275.440 2.321 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CCN1C ZINC000123593106 187100089 /nfs/dbraw/zinc/10/00/89/187100089.db2.gz VQXNIZSHTSPEED-YOEHRIQHSA-N 2 1 275.440 2.321 20 0 CEADMP C[C@H]1C[C@@H](NCc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000123593106 187100090 /nfs/dbraw/zinc/10/00/90/187100090.db2.gz VQXNIZSHTSPEED-YOEHRIQHSA-N 2 1 275.440 2.321 20 0 CEADMP C[C@H]1C[C@@H](NCc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000123593106 187100091 /nfs/dbraw/zinc/10/00/91/187100091.db2.gz VQXNIZSHTSPEED-YOEHRIQHSA-N 2 1 275.440 2.321 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000631039414 351932763 /nfs/dbraw/zinc/93/27/63/351932763.db2.gz JGRRDTUFAYJRSR-OAHLLOKOSA-N 2 1 287.407 2.219 20 0 CEADMP COCCc1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000631045800 351936382 /nfs/dbraw/zinc/93/63/82/351936382.db2.gz VLVABDFMLUXFOJ-STQMWFEESA-N 2 1 295.452 2.048 20 0 CEADMP COCCc1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000631045800 351936383 /nfs/dbraw/zinc/93/63/83/351936383.db2.gz VLVABDFMLUXFOJ-STQMWFEESA-N 2 1 295.452 2.048 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000631122477 351975280 /nfs/dbraw/zinc/97/52/80/351975280.db2.gz PZVPSZKTPSAQBN-OAHLLOKOSA-N 2 1 298.390 2.194 20 0 CEADMP Cc1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC000631178381 352002145 /nfs/dbraw/zinc/00/21/45/352002145.db2.gz RICZMURUSIOSJH-INIZCTEOSA-N 2 1 292.398 2.477 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000493905330 290946481 /nfs/dbraw/zinc/94/64/81/290946481.db2.gz HNDQYKSWGYBHIG-OWCLPIDISA-N 2 1 278.440 2.408 20 0 CEADMP COc1ccc(OCC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292249532 198217259 /nfs/dbraw/zinc/21/72/59/198217259.db2.gz XNBQCXGHODKZHR-KRWDZBQOSA-N 2 1 290.407 2.102 20 0 CEADMP COc1ccc(OCC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292249532 198217261 /nfs/dbraw/zinc/21/72/61/198217261.db2.gz XNBQCXGHODKZHR-KRWDZBQOSA-N 2 1 290.407 2.102 20 0 CEADMP COc1ccc(OCC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292249532 198217263 /nfs/dbraw/zinc/21/72/63/198217263.db2.gz XNBQCXGHODKZHR-KRWDZBQOSA-N 2 1 290.407 2.102 20 0 CEADMP COc1ccc(OCC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292249532 198217265 /nfs/dbraw/zinc/21/72/65/198217265.db2.gz XNBQCXGHODKZHR-KRWDZBQOSA-N 2 1 290.407 2.102 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000250605189 539966667 /nfs/dbraw/zinc/96/66/67/539966667.db2.gz LBHJPBGEGUDDBJ-LTIDMASMSA-N 3 1 279.472 2.229 20 0 CEADMP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000250605189 539966669 /nfs/dbraw/zinc/96/66/69/539966669.db2.gz LBHJPBGEGUDDBJ-LTIDMASMSA-N 2 1 279.472 2.229 20 0 CEADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000250605189 539966671 /nfs/dbraw/zinc/96/66/71/539966671.db2.gz LBHJPBGEGUDDBJ-LTIDMASMSA-N 2 1 279.472 2.229 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)nc1 ZINC000251207962 539972219 /nfs/dbraw/zinc/97/22/19/539972219.db2.gz BHWISCSMKRJHDC-GOEBONIOSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)nc1 ZINC000251207962 539972222 /nfs/dbraw/zinc/97/22/22/539972222.db2.gz BHWISCSMKRJHDC-GOEBONIOSA-N 2 1 259.397 2.354 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2F)CC[C@H]1[NH3+] ZINC000251552019 539977427 /nfs/dbraw/zinc/97/74/27/539977427.db2.gz BDMIKFVMUMUKOK-TZMCWYRMSA-N 2 1 293.386 2.214 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@H]21 ZINC000309859681 539978932 /nfs/dbraw/zinc/97/89/32/539978932.db2.gz CXMGHXGOVOGFHE-BRWVUGGUSA-N 2 1 274.408 2.262 20 0 CEADMP COc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000154545585 188149515 /nfs/dbraw/zinc/14/95/15/188149515.db2.gz KRKQIQSRUBAPOU-DZGCQCFKSA-N 2 1 262.397 2.310 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2)[C@H](C)C1 ZINC000155243118 188193433 /nfs/dbraw/zinc/19/34/33/188193433.db2.gz QDIDULVWCOEHIP-GDBMZVCRSA-N 2 1 262.397 2.385 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)CC[N@@H+]1C ZINC000156224416 188250247 /nfs/dbraw/zinc/25/02/47/188250247.db2.gz OTXXCSXYULVPBR-DZGCQCFKSA-N 2 1 290.407 2.420 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)CC[N@H+]1C ZINC000156224416 188250249 /nfs/dbraw/zinc/25/02/49/188250249.db2.gz OTXXCSXYULVPBR-DZGCQCFKSA-N 2 1 290.407 2.420 20 0 CEADMP COCC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCC[C@H]1C ZINC000487949520 290368811 /nfs/dbraw/zinc/36/88/11/290368811.db2.gz FTHQYVNTIJSKLM-HIFRSBDPSA-N 2 1 265.401 2.329 20 0 CEADMP COCC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCC[C@H]1C ZINC000487949520 290368813 /nfs/dbraw/zinc/36/88/13/290368813.db2.gz FTHQYVNTIJSKLM-HIFRSBDPSA-N 2 1 265.401 2.329 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3ccccn3)CC[C@@H]21 ZINC000158516308 188379875 /nfs/dbraw/zinc/37/98/75/188379875.db2.gz MOXOHHKCEOIGDL-HOCLYGCPSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3ccccn3)CC[C@@H]21 ZINC000158516308 188379877 /nfs/dbraw/zinc/37/98/77/188379877.db2.gz MOXOHHKCEOIGDL-HOCLYGCPSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccccn3)CC[C@@H]21 ZINC000158516308 188379878 /nfs/dbraw/zinc/37/98/78/188379878.db2.gz MOXOHHKCEOIGDL-HOCLYGCPSA-N 2 1 259.397 2.040 20 0 CEADMP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)[C@H]1C[NH3+] ZINC000252214923 540002705 /nfs/dbraw/zinc/00/27/05/540002705.db2.gz XJUIJBOPFXMSNF-PBHICJAKSA-N 2 1 284.407 2.432 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)[C@H]1C[NH3+] ZINC000252214923 540002708 /nfs/dbraw/zinc/00/27/08/540002708.db2.gz XJUIJBOPFXMSNF-PBHICJAKSA-N 2 1 284.407 2.432 20 0 CEADMP CCc1nc(C)cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000292746988 198396879 /nfs/dbraw/zinc/39/68/79/198396879.db2.gz JGFBTJODFIXAKC-INIZCTEOSA-N 2 1 274.412 2.270 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)CC1 ZINC000271725133 191291964 /nfs/dbraw/zinc/29/19/64/191291964.db2.gz QZAQRBOSGIPBLU-LRDDRELGSA-N 2 1 280.387 2.322 20 0 CEADMP CO[C@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2C)C1(C)C ZINC000451485344 283005861 /nfs/dbraw/zinc/00/58/61/283005861.db2.gz CMEOCXLAJATBBD-KGLIPLIRSA-N 2 1 265.401 2.375 20 0 CEADMP CC[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451529640 283022562 /nfs/dbraw/zinc/02/25/62/283022562.db2.gz NPRBQRRXKDKVPN-WBVHZDCISA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451529640 283022565 /nfs/dbraw/zinc/02/25/65/283022565.db2.gz NPRBQRRXKDKVPN-WBVHZDCISA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451529640 283022566 /nfs/dbraw/zinc/02/25/66/283022566.db2.gz NPRBQRRXKDKVPN-WBVHZDCISA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451529640 283022569 /nfs/dbraw/zinc/02/25/69/283022569.db2.gz NPRBQRRXKDKVPN-WBVHZDCISA-N 2 1 295.471 2.051 20 0 CEADMP CCO[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000451536763 283024163 /nfs/dbraw/zinc/02/41/63/283024163.db2.gz HZKWQKKTIZKBLE-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CCO[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000451536763 283024167 /nfs/dbraw/zinc/02/41/67/283024167.db2.gz HZKWQKKTIZKBLE-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CCO[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000451536763 283024160 /nfs/dbraw/zinc/02/41/60/283024160.db2.gz HZKWQKKTIZKBLE-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CCO[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1C ZINC000451536767 283024512 /nfs/dbraw/zinc/02/45/12/283024512.db2.gz HZKWQKKTIZKBLE-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CCO[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000451536767 283024514 /nfs/dbraw/zinc/02/45/14/283024514.db2.gz HZKWQKKTIZKBLE-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CCO[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000451536767 283024517 /nfs/dbraw/zinc/02/45/17/283024517.db2.gz HZKWQKKTIZKBLE-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000495376625 291035036 /nfs/dbraw/zinc/03/50/36/291035036.db2.gz FXJAHUBVMXAXAM-SYQHCUMBSA-N 2 1 299.459 2.218 20 0 CEADMP COC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271856701 191372802 /nfs/dbraw/zinc/37/28/02/191372802.db2.gz XPHSEYIFZJKAJF-ZBFHGGJFSA-N 2 1 290.407 2.050 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271864662 191375350 /nfs/dbraw/zinc/37/53/50/191375350.db2.gz LCBNZMXNEMBOES-AWEZNQCLSA-N 2 1 274.408 2.478 20 0 CEADMP C[N@@H+](CCOCc1ccccc1)CC(C)(C)C[NH3+] ZINC000380923498 540136822 /nfs/dbraw/zinc/13/68/22/540136822.db2.gz ZYOGTUVCSWFOCQ-UHFFFAOYSA-N 2 1 250.386 2.120 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000539066787 540198593 /nfs/dbraw/zinc/19/85/93/540198593.db2.gz QINUPMBAGQLXHL-BBRMVZONSA-N 2 1 262.397 2.433 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)[C@H]2CCC[C@@H]21 ZINC000353683323 283137334 /nfs/dbraw/zinc/13/73/34/283137334.db2.gz POJPOSRXXROYKA-XGUBFFRZSA-N 2 1 266.429 2.406 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451911540 283141394 /nfs/dbraw/zinc/14/13/94/283141394.db2.gz PYXXTDMXGBIMSA-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP [NH3+]CCC[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000414740556 540245241 /nfs/dbraw/zinc/24/52/41/540245241.db2.gz CZOCZNZKEPQAQT-CQSZACIVSA-N 2 1 264.344 2.212 20 0 CEADMP [NH3+]CCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000415117278 540250701 /nfs/dbraw/zinc/25/07/01/540250701.db2.gz WWKZZPQHGRGGAD-NSHDSACASA-N 2 1 280.334 2.016 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCC[C@@H](C)C1 ZINC000386384091 540252760 /nfs/dbraw/zinc/25/27/60/540252760.db2.gz UJRNAAOTWSWIQW-QLFBSQMISA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000386384091 540252762 /nfs/dbraw/zinc/25/27/62/540252762.db2.gz UJRNAAOTWSWIQW-QLFBSQMISA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000386384091 540252766 /nfs/dbraw/zinc/25/27/66/540252766.db2.gz UJRNAAOTWSWIQW-QLFBSQMISA-N 2 1 256.434 2.198 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)CCO1 ZINC000070345374 297283214 /nfs/dbraw/zinc/28/32/14/297283214.db2.gz ARPSPKDOZVOPDG-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP CCOC(=O)CCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000452095083 283185136 /nfs/dbraw/zinc/18/51/36/283185136.db2.gz KPJZYYZUMRCHQB-UHFFFAOYSA-N 2 1 270.417 2.184 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000353488177 283187393 /nfs/dbraw/zinc/18/73/93/283187393.db2.gz OCVPYDNHWXKFQC-QKPAOTATSA-N 2 1 269.477 2.425 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000353488177 283187396 /nfs/dbraw/zinc/18/73/96/283187396.db2.gz OCVPYDNHWXKFQC-QKPAOTATSA-N 2 1 269.477 2.425 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000353488177 283187400 /nfs/dbraw/zinc/18/74/00/283187400.db2.gz OCVPYDNHWXKFQC-QKPAOTATSA-N 2 1 269.477 2.425 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[NH+](C)C[C@H]1C ZINC000353489385 283187657 /nfs/dbraw/zinc/18/76/57/283187657.db2.gz JBEHQTWUWGBHMA-ILXRZTDVSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+](C)C[C@H]1C ZINC000353489385 283187658 /nfs/dbraw/zinc/18/76/58/283187658.db2.gz JBEHQTWUWGBHMA-ILXRZTDVSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000353489385 283187660 /nfs/dbraw/zinc/18/76/60/283187660.db2.gz JBEHQTWUWGBHMA-ILXRZTDVSA-N 2 1 255.450 2.037 20 0 CEADMP c1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)no1 ZINC000134863532 366365258 /nfs/dbraw/zinc/36/52/58/366365258.db2.gz WDBKLLLHKUBLSO-DOMZBBRYSA-N 2 1 261.369 2.123 20 0 CEADMP CC(C)CCC[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000338434541 366357124 /nfs/dbraw/zinc/35/71/24/366357124.db2.gz IAMZUCCFBSPKBY-UHFFFAOYSA-N 2 1 269.477 2.286 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCC(O)CC1 ZINC000353497895 295934705 /nfs/dbraw/zinc/93/47/05/295934705.db2.gz POSMSXDWGUHEEY-OXLPJUHDSA-N 2 1 268.445 2.246 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1)C1CC1 ZINC000668229584 538748899 /nfs/dbraw/zinc/74/88/99/538748899.db2.gz MWTIDRNBCCYKOS-DZGCQCFKSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccc(C)cc1 ZINC000577699834 366382623 /nfs/dbraw/zinc/38/26/23/366382623.db2.gz PWYNKNUOCAZERQ-GDBMZVCRSA-N 2 1 264.413 2.300 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccc(C)cc1 ZINC000577699834 366382628 /nfs/dbraw/zinc/38/26/28/366382628.db2.gz PWYNKNUOCAZERQ-GDBMZVCRSA-N 2 1 264.413 2.300 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000577699834 366382632 /nfs/dbraw/zinc/38/26/32/366382632.db2.gz PWYNKNUOCAZERQ-GDBMZVCRSA-N 2 1 264.413 2.300 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000577699834 366382636 /nfs/dbraw/zinc/38/26/36/366382636.db2.gz PWYNKNUOCAZERQ-GDBMZVCRSA-N 2 1 264.413 2.300 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(O)cc3)CC[C@H]21 ZINC000228120435 538803320 /nfs/dbraw/zinc/80/33/20/538803320.db2.gz VAKUSYHNCIUERU-GDBMZVCRSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(O)cc3)CC[C@H]21 ZINC000228120435 538803324 /nfs/dbraw/zinc/80/33/24/538803324.db2.gz VAKUSYHNCIUERU-GDBMZVCRSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(O)cc3)CC[C@H]21 ZINC000228120435 538803332 /nfs/dbraw/zinc/80/33/32/538803332.db2.gz VAKUSYHNCIUERU-GDBMZVCRSA-N 2 1 260.381 2.308 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CCc1ccccn1)CC2 ZINC000336278995 213116167 /nfs/dbraw/zinc/11/61/67/213116167.db2.gz LYUOCTIYCHVTGS-UHFFFAOYSA-N 2 1 259.397 2.184 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CCc1ccccn1)CC2 ZINC000336278995 213116171 /nfs/dbraw/zinc/11/61/71/213116171.db2.gz LYUOCTIYCHVTGS-UHFFFAOYSA-N 2 1 259.397 2.184 20 0 CEADMP CC[NH+](CC)C[C@@H](C)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000352385418 540301265 /nfs/dbraw/zinc/30/12/65/540301265.db2.gz HFFXMEXPSZAVJH-CQSZACIVSA-N 2 1 291.443 2.031 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2cccnc2)CC[N@H+]1C ZINC000414335581 236338081 /nfs/dbraw/zinc/33/80/81/236338081.db2.gz OQNHQWVGEXTLIM-ZFWWWQNUSA-N 2 1 261.413 2.432 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000157806962 291145327 /nfs/dbraw/zinc/14/53/27/291145327.db2.gz ZLYCIHFMHAOXSV-GOEBONIOSA-N 3 1 288.439 2.123 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1C ZINC000157806962 291145328 /nfs/dbraw/zinc/14/53/28/291145328.db2.gz ZLYCIHFMHAOXSV-GOEBONIOSA-N 3 1 288.439 2.123 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000336195678 213013847 /nfs/dbraw/zinc/01/38/47/213013847.db2.gz IEKXPBIZMOBGQV-NEPJUHHUSA-N 2 1 271.364 2.110 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@@H](O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294846663 199210893 /nfs/dbraw/zinc/21/08/93/199210893.db2.gz NASJJVRGNDRAKN-QSPRXWTASA-N 2 1 274.408 2.010 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000578435024 366493709 /nfs/dbraw/zinc/49/37/09/366493709.db2.gz HIFIRTYTQYTTNU-WWGRRREGSA-N 2 1 289.423 2.119 20 0 CEADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000578523160 366507335 /nfs/dbraw/zinc/50/73/35/366507335.db2.gz ONKOIXNPRJKVHY-ZYHUDNBSSA-N 2 1 282.350 2.152 20 0 CEADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000578523160 366507343 /nfs/dbraw/zinc/50/73/43/366507343.db2.gz ONKOIXNPRJKVHY-ZYHUDNBSSA-N 2 1 282.350 2.152 20 0 CEADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000578523158 366507512 /nfs/dbraw/zinc/50/75/12/366507512.db2.gz ONKOIXNPRJKVHY-JQWIXIFHSA-N 2 1 282.350 2.152 20 0 CEADMP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000578523158 366507520 /nfs/dbraw/zinc/50/75/20/366507520.db2.gz ONKOIXNPRJKVHY-JQWIXIFHSA-N 2 1 282.350 2.152 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000160148586 540445372 /nfs/dbraw/zinc/44/53/72/540445372.db2.gz YXTPGUXBPAFABX-KGLIPLIRSA-N 3 1 255.450 2.037 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000160148586 540445375 /nfs/dbraw/zinc/44/53/75/540445375.db2.gz YXTPGUXBPAFABX-KGLIPLIRSA-N 3 1 255.450 2.037 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000671730452 540494757 /nfs/dbraw/zinc/49/47/57/540494757.db2.gz KANWZIFPIGUCAK-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000671730452 540494759 /nfs/dbraw/zinc/49/47/59/540494759.db2.gz KANWZIFPIGUCAK-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(CO)cc2)[C@H]2CCC[C@H]21 ZINC000671755368 540502334 /nfs/dbraw/zinc/50/23/34/540502334.db2.gz URIHCAHIZSUAEQ-FGTMMUONSA-N 2 1 288.435 2.184 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000666852297 540509577 /nfs/dbraw/zinc/50/95/77/540509577.db2.gz ZWPHFEHVLNYLKJ-UONOGXRCSA-N 2 1 270.380 2.436 20 0 CEADMP Cn1c(C[NH2+][C@@H]2CCC[NH2+]CC2)nc2ccc(Cl)cc21 ZINC000666856400 540510049 /nfs/dbraw/zinc/51/00/49/540510049.db2.gz GSKXJXXVRBLXFN-GFCCVEGCSA-N 2 1 292.814 2.458 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCS1 ZINC000137210286 540531953 /nfs/dbraw/zinc/53/19/53/540531953.db2.gz FUOPYBQZUTVHCP-GFCCVEGCSA-N 2 1 262.422 2.270 20 0 CEADMP Cc1cc(N2CCC([N@H+](C)CCCF)CC2)nc(C)[nH+]1 ZINC000137558474 366544325 /nfs/dbraw/zinc/54/43/25/366544325.db2.gz YRHQTWTXSZATDW-UHFFFAOYSA-N 2 1 280.391 2.354 20 0 CEADMP Cc1cc(N2CCC([N@@H+](C)CCCF)CC2)nc(C)[nH+]1 ZINC000137558474 366544335 /nfs/dbraw/zinc/54/43/35/366544335.db2.gz YRHQTWTXSZATDW-UHFFFAOYSA-N 2 1 280.391 2.354 20 0 CEADMP C[C@@]1(c2ccccc2)C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000578731476 366540138 /nfs/dbraw/zinc/54/01/38/366540138.db2.gz ABSWSUYBHNTNCM-RDJZCZTQSA-N 2 1 274.408 2.234 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000297568404 200230033 /nfs/dbraw/zinc/23/00/33/200230033.db2.gz GOLAXHJLLVTOMD-BZPMIXESSA-N 2 1 273.384 2.320 20 0 CEADMP CC[N@@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000341797293 216108168 /nfs/dbraw/zinc/10/81/68/216108168.db2.gz KGTYYMZMJWTCAF-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000341797293 216108171 /nfs/dbraw/zinc/10/81/71/216108171.db2.gz KGTYYMZMJWTCAF-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC(C)(C)C)[C@H](C)C1 ZINC000081095625 363701791 /nfs/dbraw/zinc/70/17/91/363701791.db2.gz KHSCNXORVZDJMT-ZIAGYGMSSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC(C)(C)C)[C@H](C)C1 ZINC000081095625 363701794 /nfs/dbraw/zinc/70/17/94/363701794.db2.gz KHSCNXORVZDJMT-ZIAGYGMSSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC(C)(C)C)[C@H](C)C1 ZINC000081095625 363701797 /nfs/dbraw/zinc/70/17/97/363701797.db2.gz KHSCNXORVZDJMT-ZIAGYGMSSA-N 2 1 256.434 2.464 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000579254395 366618905 /nfs/dbraw/zinc/61/89/05/366618905.db2.gz ILFAJCYKIAANPR-HGFSOSMJSA-N 2 1 288.435 2.477 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000579254395 366618909 /nfs/dbraw/zinc/61/89/09/366618909.db2.gz ILFAJCYKIAANPR-HGFSOSMJSA-N 2 1 288.435 2.477 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000579254397 366619737 /nfs/dbraw/zinc/61/97/37/366619737.db2.gz ILFAJCYKIAANPR-NJYOSPNCSA-N 2 1 288.435 2.477 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000579254397 366619740 /nfs/dbraw/zinc/61/97/40/366619740.db2.gz ILFAJCYKIAANPR-NJYOSPNCSA-N 2 1 288.435 2.477 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2OCC(F)F)C1 ZINC000579494397 366655778 /nfs/dbraw/zinc/65/57/78/366655778.db2.gz NAHSFQRQCZVNJA-VXGBXAGGSA-N 2 1 285.338 2.085 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C1CCCCC1 ZINC000579340397 366629528 /nfs/dbraw/zinc/62/95/28/366629528.db2.gz DWDZEBISCSYQGR-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP O[C@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000298105337 200333993 /nfs/dbraw/zinc/33/39/93/200333993.db2.gz NUFMSCRTLASJBB-QGZVFWFLSA-N 2 1 274.408 2.327 20 0 CEADMP COc1cccc(C2([NH2+]CCc3c[nH+]cn3C)CC2)c1 ZINC000298249854 200371026 /nfs/dbraw/zinc/37/10/26/200371026.db2.gz DGNDQFZPIRCPEA-UHFFFAOYSA-N 2 1 271.364 2.250 20 0 CEADMP C[C@H]1OCC[C@@]12C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](C)O2 ZINC000369406987 291223762 /nfs/dbraw/zinc/22/37/62/291223762.db2.gz DPKWLEVWOGAOJX-WCXIOVBPSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@H]1OCC[C@@]12C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](C)O2 ZINC000369406987 291223765 /nfs/dbraw/zinc/22/37/65/291223765.db2.gz DPKWLEVWOGAOJX-WCXIOVBPSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@H]1OCC[C@@]12C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](C)O2 ZINC000369406987 291223767 /nfs/dbraw/zinc/22/37/67/291223767.db2.gz DPKWLEVWOGAOJX-WCXIOVBPSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@H]1OCC[C@@]12C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](C)O2 ZINC000369406987 291223768 /nfs/dbraw/zinc/22/37/68/291223768.db2.gz DPKWLEVWOGAOJX-WCXIOVBPSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000674067624 540721669 /nfs/dbraw/zinc/72/16/69/540721669.db2.gz LXXHJAQEJDERIK-PBHICJAKSA-N 2 1 284.407 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000674067624 540721671 /nfs/dbraw/zinc/72/16/71/540721671.db2.gz LXXHJAQEJDERIK-PBHICJAKSA-N 2 1 284.407 2.410 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000178185621 189095887 /nfs/dbraw/zinc/09/58/87/189095887.db2.gz PWIHGGBSARBLTP-YRVVQQKDSA-N 2 1 294.464 2.416 20 0 CEADMP COC[C@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000674498716 540757509 /nfs/dbraw/zinc/75/75/09/540757509.db2.gz KPDMAGVABLXPTI-MRXNPFEDSA-N 2 1 271.364 2.483 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cn1 ZINC000178702341 189138594 /nfs/dbraw/zinc/13/85/94/189138594.db2.gz OYPCWIRKJPYGBF-CHWSQXEVSA-N 2 1 275.400 2.395 20 0 CEADMP c1nc(C2CC2)sc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000579687151 366683304 /nfs/dbraw/zinc/68/33/04/366683304.db2.gz XJJNADZZLXSCDK-JTQLQIEISA-N 2 1 251.399 2.110 20 0 CEADMP C[C@H]1CN(C)c2ccccc2C[N@H+]1CC1CC[NH2+]CC1 ZINC000178981829 189158860 /nfs/dbraw/zinc/15/88/60/189158860.db2.gz KXIXXYXSZMNOIL-AWEZNQCLSA-N 2 1 273.424 2.327 20 0 CEADMP Cc1cccc2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cn21 ZINC000342114305 216222933 /nfs/dbraw/zinc/22/29/33/216222933.db2.gz CPUFONAFULCDLT-CWRNSKLLSA-N 2 1 284.407 2.202 20 0 CEADMP Cc1cccc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cn21 ZINC000342114305 216222935 /nfs/dbraw/zinc/22/29/35/216222935.db2.gz CPUFONAFULCDLT-CWRNSKLLSA-N 2 1 284.407 2.202 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000675765332 540871998 /nfs/dbraw/zinc/87/19/98/540871998.db2.gz CBDKYHIPVGVWMK-HUUCEWRRSA-N 3 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCN2Cc3ccccc3C2)[C@H](C)C1 ZINC000675780531 540873522 /nfs/dbraw/zinc/87/35/22/540873522.db2.gz PXCWOCARCHRCPX-QAPCUYQASA-N 2 1 287.451 2.322 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCC1 ZINC000675880586 540878692 /nfs/dbraw/zinc/87/86/92/540878692.db2.gz GAZOCUJYTGHWMM-BBRMVZONSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCc2ccc(O)cc2)CC[N@H+]1C ZINC000675891311 540879863 /nfs/dbraw/zinc/87/98/63/540879863.db2.gz NWXRKTSYQYZKRT-UKRRQHHQSA-N 2 1 262.397 2.397 20 0 CEADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161628527 540897534 /nfs/dbraw/zinc/89/75/34/540897534.db2.gz YVUTXZYTEDZUFF-RBSFLKMASA-N 2 1 254.418 2.408 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000677239949 540995735 /nfs/dbraw/zinc/99/57/35/540995735.db2.gz AKSJXUDHQZAHRV-INMHGKMJSA-N 2 1 274.408 2.245 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677239949 540995736 /nfs/dbraw/zinc/99/57/36/540995736.db2.gz AKSJXUDHQZAHRV-INMHGKMJSA-N 2 1 274.408 2.245 20 0 CEADMP C[C@@H](CC[NH2+]C[C@@](C)(O)C(F)(F)F)[NH+]1CCCCC1 ZINC000579705658 366687666 /nfs/dbraw/zinc/68/76/66/366687666.db2.gz RVBHIIXAAYYMGP-NWDGAFQWSA-N 2 1 282.350 2.154 20 0 CEADMP CCc1cnc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000579720000 366691118 /nfs/dbraw/zinc/69/11/18/366691118.db2.gz YJEUCIFHERIIJK-STQMWFEESA-N 2 1 263.385 2.059 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1C ZINC000153681144 366736119 /nfs/dbraw/zinc/73/61/19/366736119.db2.gz BYFZHBAMWXPBQL-RBSFLKMASA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1C ZINC000153681144 366736121 /nfs/dbraw/zinc/73/61/21/366736121.db2.gz BYFZHBAMWXPBQL-RBSFLKMASA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1C ZINC000153681144 366736124 /nfs/dbraw/zinc/73/61/24/366736124.db2.gz BYFZHBAMWXPBQL-RBSFLKMASA-N 2 1 265.445 2.076 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638674523 370678371 /nfs/dbraw/zinc/67/83/71/370678371.db2.gz MAZSOUDHVLILRC-HIFRSBDPSA-N 2 1 292.427 2.009 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(F)c1N ZINC000638674963 370678687 /nfs/dbraw/zinc/67/86/87/370678687.db2.gz ODNCIQSUQVDVKV-UHFFFAOYSA-N 2 1 276.359 2.483 20 0 CEADMP CC1CC[NH+](C[C@H](O)CNc2cc[nH+]cc2Cl)CC1 ZINC000301510737 201039762 /nfs/dbraw/zinc/03/97/62/201039762.db2.gz BJXFTVDIMJZOPJ-GFCCVEGCSA-N 2 1 283.803 2.240 20 0 CEADMP C[C@H](CCC1CCCCC1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154289534 366766780 /nfs/dbraw/zinc/76/67/80/366766780.db2.gz RWIZILFSZYVCAD-HIFRSBDPSA-N 2 1 256.434 2.248 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000581543922 366792111 /nfs/dbraw/zinc/79/21/11/366792111.db2.gz ZWTKBLUVBARJNP-IRXDYDNUSA-N 2 1 282.472 2.495 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000340227512 366807639 /nfs/dbraw/zinc/80/76/39/366807639.db2.gz ABIUNWNREQBNAX-UMVBOHGHSA-N 2 1 265.401 2.375 20 0 CEADMP CC(C)C[NH+]1CCC(Nc2nc(N(C)C)cc[nH+]2)CC1 ZINC000301705382 201151571 /nfs/dbraw/zinc/15/15/71/201151571.db2.gz VIFDCZDTNMBISA-UHFFFAOYSA-N 2 1 277.416 2.075 20 0 CEADMP CCc1ccc(CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000084132335 363797999 /nfs/dbraw/zinc/79/79/99/363797999.db2.gz LODVYXDCLVNKMN-QGZVFWFLSA-N 2 1 258.409 2.477 20 0 CEADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CC1(C[NH3+])CCCCC1 ZINC000184226063 189380375 /nfs/dbraw/zinc/38/03/75/189380375.db2.gz MZIBGCOLIIOMDA-HNNXBMFYSA-N 2 1 295.471 2.086 20 0 CEADMP C[NH+](C)C1CCN(CCNc2[nH]c3ccccc3[nH+]2)CC1 ZINC000301879170 201246168 /nfs/dbraw/zinc/24/61/68/201246168.db2.gz LJHXXHUKTJDTPR-UHFFFAOYSA-N 2 1 287.411 2.001 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(N(C)C)nc2)C1 ZINC000678283191 541110507 /nfs/dbraw/zinc/11/05/07/541110507.db2.gz DEEFZCVWBUTJNH-INIZCTEOSA-N 2 1 290.455 2.311 20 0 CEADMP Cc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)nc(C)[nH+]1 ZINC000270196136 541116502 /nfs/dbraw/zinc/11/65/02/541116502.db2.gz PFKLXWLFGLKMPH-HNNXBMFYSA-N 2 1 274.412 2.262 20 0 CEADMP CC[N@H+]1CC[C@@H](Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000679127650 541218435 /nfs/dbraw/zinc/21/84/35/541218435.db2.gz OPOFQPTWMNDKJX-XJKSGUPXSA-N 2 1 285.395 2.410 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H](C)CCCCO)[NH+]1CCCC1 ZINC000679332076 541257605 /nfs/dbraw/zinc/25/76/05/541257605.db2.gz QLVUAJOERGQTHH-LSDHHAIUSA-N 2 1 256.434 2.248 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000679439085 541275068 /nfs/dbraw/zinc/27/50/68/541275068.db2.gz TXRVAWKRKLTGNA-MRXNPFEDSA-N 3 1 288.439 2.078 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(COC)cc2)C1 ZINC000088567803 363908109 /nfs/dbraw/zinc/90/81/09/363908109.db2.gz ZSBXZHAALJIAPT-INIZCTEOSA-N 2 1 262.397 2.264 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2C(C)C)CC1 ZINC000089128338 363934953 /nfs/dbraw/zinc/93/49/53/363934953.db2.gz XNHAZPLHEWFBJL-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccnc1 ZINC000092750631 364104570 /nfs/dbraw/zinc/10/45/70/364104570.db2.gz ADQYHNLRTVCMPP-LSDHHAIUSA-N 2 1 289.423 2.233 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000334649566 364133406 /nfs/dbraw/zinc/13/34/06/364133406.db2.gz JAZBDHKKAHYUED-JSGCOSHPSA-N 2 1 259.397 2.214 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237509446 370728721 /nfs/dbraw/zinc/72/87/21/370728721.db2.gz MQOOQAQSGVSVMA-GOEBONIOSA-N 2 1 289.423 2.067 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000237531505 370729688 /nfs/dbraw/zinc/72/96/88/370729688.db2.gz LGKIHRQXPNLRIY-RBSFLKMASA-N 2 1 295.471 2.131 20 0 CEADMP C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C[NH+]1CCCC1 ZINC000093488444 364192221 /nfs/dbraw/zinc/19/22/21/364192221.db2.gz XDSSDRRZTAFLAQ-BBWFWOEESA-N 3 1 279.472 2.373 20 0 CEADMP C[N@@H+](CCCOc1ccccc1)CC(C)(C)C[NH3+] ZINC000093873909 364236834 /nfs/dbraw/zinc/23/68/34/364236834.db2.gz CIEIPWCWNRGCKN-UHFFFAOYSA-N 2 1 250.386 2.372 20 0 CEADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000334738359 364252893 /nfs/dbraw/zinc/25/28/93/364252893.db2.gz JRUPMCSTNFEAOW-CVEARBPZSA-N 2 1 259.397 2.415 20 0 CEADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000334738359 364252897 /nfs/dbraw/zinc/25/28/97/364252897.db2.gz JRUPMCSTNFEAOW-CVEARBPZSA-N 2 1 259.397 2.415 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccnc3ccccc23)CC[C@@H]1[NH3+] ZINC000094338778 364266121 /nfs/dbraw/zinc/26/61/21/364266121.db2.gz DTZXIAHBYIMBRK-WFASDCNBSA-N 2 1 255.365 2.404 20 0 CEADMP c1cc2c(s1)C[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC000334970147 364296708 /nfs/dbraw/zinc/29/67/08/364296708.db2.gz QTUXGUIMEHINTE-UHFFFAOYSA-N 2 1 250.411 2.496 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000335040092 364389154 /nfs/dbraw/zinc/38/91/54/364389154.db2.gz OLMWGCZUWKHHIC-QMTHXVAHSA-N 2 1 254.324 2.443 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000581951717 366841736 /nfs/dbraw/zinc/84/17/36/366841736.db2.gz LFCVLNULNGOREI-IAGOWNOFSA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000581951717 366841758 /nfs/dbraw/zinc/84/17/58/366841758.db2.gz LFCVLNULNGOREI-IAGOWNOFSA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000581951717 366841763 /nfs/dbraw/zinc/84/17/63/366841763.db2.gz LFCVLNULNGOREI-IAGOWNOFSA-N 2 1 294.414 2.145 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CO1 ZINC000335140582 364533843 /nfs/dbraw/zinc/53/38/43/364533843.db2.gz XFYVUDBCIMMSQN-ROKHWSDSSA-N 2 1 252.402 2.160 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH2+]C(C)(C)C)c1ccccc1 ZINC000097594195 364510565 /nfs/dbraw/zinc/51/05/65/364510565.db2.gz DWOJBPQWLFEZIK-HNNXBMFYSA-N 2 1 291.439 2.184 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000104149180 364681738 /nfs/dbraw/zinc/68/17/38/364681738.db2.gz QZUZCWRTFIXVLF-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335453906 364755624 /nfs/dbraw/zinc/75/56/24/364755624.db2.gz XNAHXNVJZIMHPY-ZDUSSCGKSA-N 2 1 264.344 2.163 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000335467791 364773689 /nfs/dbraw/zinc/77/36/89/364773689.db2.gz DPGZEMMHYPQNOB-MWLCHTKSSA-N 2 1 283.213 2.243 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n21 ZINC000335634587 212350477 /nfs/dbraw/zinc/35/04/77/212350477.db2.gz PWKRUTZPYIRMRH-JKSUJKDBSA-N 2 1 298.434 2.464 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n21 ZINC000335634585 212350348 /nfs/dbraw/zinc/35/03/48/212350348.db2.gz PWKRUTZPYIRMRH-HOTGVXAUSA-N 2 1 298.434 2.464 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC(C)(C)C2)CC1 ZINC000114469819 364946967 /nfs/dbraw/zinc/94/69/67/364946967.db2.gz RZNYOOBQVWALHA-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000335780414 364972118 /nfs/dbraw/zinc/97/21/18/364972118.db2.gz MGBFDSXANFMQHN-NHYWBVRUSA-N 2 1 288.370 2.385 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000335780414 364972126 /nfs/dbraw/zinc/97/21/26/364972126.db2.gz MGBFDSXANFMQHN-NHYWBVRUSA-N 2 1 288.370 2.385 20 0 CEADMP COC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000116388565 365054018 /nfs/dbraw/zinc/05/40/18/365054018.db2.gz UYGLRJKMDMZKAU-INIZCTEOSA-N 2 1 296.455 2.384 20 0 CEADMP COC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000116388565 365054026 /nfs/dbraw/zinc/05/40/26/365054026.db2.gz UYGLRJKMDMZKAU-INIZCTEOSA-N 2 1 296.455 2.384 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)CC[N@@H+]1C ZINC000335815136 365020396 /nfs/dbraw/zinc/02/03/96/365020396.db2.gz YWKJSEYQPAPBJD-CJNGLKHVSA-N 2 1 299.418 2.111 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)CC[N@H+]1C ZINC000335815136 365020405 /nfs/dbraw/zinc/02/04/05/365020405.db2.gz YWKJSEYQPAPBJD-CJNGLKHVSA-N 2 1 299.418 2.111 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCOCC2)C[C@H](C)O1 ZINC000356674093 370792023 /nfs/dbraw/zinc/79/20/23/370792023.db2.gz AOCZHIGMAFVAID-OWCLPIDISA-N 2 1 284.444 2.035 20 0 CEADMP C[N@H+](Cc1cc2ccccc2[nH]c1=O)C[C@@H]1CCC[NH+](C)C1 ZINC000118843503 365184272 /nfs/dbraw/zinc/18/42/72/365184272.db2.gz HZITXXNAVZLLTB-CQSZACIVSA-N 2 1 299.418 2.302 20 0 CEADMP C[NH+](Cc1cc2ccccc2[nH]c1=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843503 365184275 /nfs/dbraw/zinc/18/42/75/365184275.db2.gz HZITXXNAVZLLTB-CQSZACIVSA-N 2 1 299.418 2.302 20 0 CEADMP C[NH+](Cc1cc2ccccc2[nH]c1=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843503 365184283 /nfs/dbraw/zinc/18/42/83/365184283.db2.gz HZITXXNAVZLLTB-CQSZACIVSA-N 2 1 299.418 2.302 20 0 CEADMP Cc1c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000572286923 299356147 /nfs/dbraw/zinc/35/61/47/299356147.db2.gz MDBBEKCRHHENHD-INIZCTEOSA-N 2 1 289.379 2.479 20 0 CEADMP Cc1c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000572286923 299356148 /nfs/dbraw/zinc/35/61/48/299356148.db2.gz MDBBEKCRHHENHD-INIZCTEOSA-N 2 1 289.379 2.479 20 0 CEADMP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000357102389 370805036 /nfs/dbraw/zinc/80/50/36/370805036.db2.gz REMVFPOYSKLVKE-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CCCC[N@H+]1CC ZINC000357106481 370805452 /nfs/dbraw/zinc/80/54/52/370805452.db2.gz AMTBNGQLGYFEDR-MRXNPFEDSA-N 2 1 297.487 2.441 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2cccc(F)c2N)CC1 ZINC000638848630 370795375 /nfs/dbraw/zinc/79/53/75/370795375.db2.gz IWZXUMHSVRSYAX-UHFFFAOYSA-N 2 1 265.376 2.372 20 0 CEADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(C)o2)CC1 ZINC000119648146 365305239 /nfs/dbraw/zinc/30/52/39/365305239.db2.gz POOMVDYSYSHWQK-UHFFFAOYSA-N 2 1 279.428 2.095 20 0 CEADMP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@@H]1[NH3+] ZINC000336055516 365347454 /nfs/dbraw/zinc/34/74/54/365347454.db2.gz IESJHFYMSRMSJK-NHYWBVRUSA-N 2 1 288.370 2.385 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@@H]1[NH3+] ZINC000336055516 365347460 /nfs/dbraw/zinc/34/74/60/365347460.db2.gz IESJHFYMSRMSJK-NHYWBVRUSA-N 2 1 288.370 2.385 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOCC(F)(F)F ZINC000119845192 365333780 /nfs/dbraw/zinc/33/37/80/365333780.db2.gz DDGNXMWUIIXPRW-UHFFFAOYSA-N 2 1 279.306 2.092 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOCC(F)(F)F ZINC000119845192 365333785 /nfs/dbraw/zinc/33/37/85/365333785.db2.gz DDGNXMWUIIXPRW-UHFFFAOYSA-N 2 1 279.306 2.092 20 0 CEADMP CC(C)CC[C@@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000159348170 366903710 /nfs/dbraw/zinc/90/37/10/366903710.db2.gz RJBFJXZHENTSPG-RBSFLKMASA-N 2 1 256.434 2.246 20 0 CEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cn[nH]c2)[C@H](C)C1 ZINC000340475527 366901304 /nfs/dbraw/zinc/90/13/04/366901304.db2.gz CWIQNRKQGAMRAP-YCPHGPKFSA-N 2 1 294.443 2.197 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cn[nH]c2)[C@H](C)C1 ZINC000340475527 366901310 /nfs/dbraw/zinc/90/13/10/366901310.db2.gz CWIQNRKQGAMRAP-YCPHGPKFSA-N 2 1 294.443 2.197 20 0 CEADMP CC(C)CCOCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582421083 366910379 /nfs/dbraw/zinc/91/03/79/366910379.db2.gz VLSPHRZOOAQFOX-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN1CC(c2ccccc2)(C(C)C)C1 ZINC000583510426 367060044 /nfs/dbraw/zinc/06/00/44/367060044.db2.gz RHMMYUVDYOFJFY-KRWDZBQOSA-N 2 1 290.451 2.209 20 0 CEADMP CO[C@@]1(C)C[C@H]([NH2+]CCCc2c[nH+]cn2C)C1(C)C ZINC000583638999 367077608 /nfs/dbraw/zinc/07/76/08/367077608.db2.gz QQFNYTSQNIEOJA-ZFWWWQNUSA-N 2 1 265.401 2.146 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccncc2)[C@@H](C)C1 ZINC000245440579 370820213 /nfs/dbraw/zinc/82/02/13/370820213.db2.gz USMNFUAPRKSVCX-GOEBONIOSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccncc2)[C@@H](C)C1 ZINC000245440579 370820215 /nfs/dbraw/zinc/82/02/15/370820215.db2.gz USMNFUAPRKSVCX-GOEBONIOSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccncc2)[C@@H](C)C1 ZINC000245440579 370820219 /nfs/dbraw/zinc/82/02/19/370820219.db2.gz USMNFUAPRKSVCX-GOEBONIOSA-N 2 1 261.413 2.286 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@H]1CCCC[C@@H]1O ZINC000162500073 367164506 /nfs/dbraw/zinc/16/45/06/367164506.db2.gz LRNOQYHANHEZCE-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP O[C@H](C[NH2+][C@H]1CCc2ccc(Cl)cc21)C[NH+]1CCCC1 ZINC000343099314 216658033 /nfs/dbraw/zinc/65/80/33/216658033.db2.gz CRMJOGUKMYIAFF-ZBFHGGJFSA-N 2 1 294.826 2.374 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000163377011 367236523 /nfs/dbraw/zinc/23/65/23/367236523.db2.gz MUZCPZOOVSZWNF-OCCSQVGLSA-N 2 1 278.396 2.121 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[NH2+]C(C)C)C1 ZINC000168640467 367357229 /nfs/dbraw/zinc/35/72/29/367357229.db2.gz VKXJJMWBQYAVRB-OAHLLOKOSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000164575772 367290056 /nfs/dbraw/zinc/29/00/56/367290056.db2.gz PMPVCCNLYGHXNS-OLZOCXBDSA-N 2 1 275.396 2.204 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC)[C@H](C)C2)CC[N@H+]1C ZINC000631440990 367319014 /nfs/dbraw/zinc/31/90/14/367319014.db2.gz FJYRJLSVSKEGPW-FXUDXRNXSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)CC[NH+]1C ZINC000631440990 367319022 /nfs/dbraw/zinc/31/90/22/367319022.db2.gz FJYRJLSVSKEGPW-FXUDXRNXSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)CC[NH+]1C ZINC000631440990 367319030 /nfs/dbraw/zinc/31/90/30/367319030.db2.gz FJYRJLSVSKEGPW-FXUDXRNXSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000166680230 367326958 /nfs/dbraw/zinc/32/69/58/367326958.db2.gz JUSXUTXQWPXYIA-ZNMIVQPWSA-N 2 1 280.437 2.172 20 0 CEADMP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000170745724 367404559 /nfs/dbraw/zinc/40/45/59/367404559.db2.gz CBZSYXLDZNBIJM-GDBMZVCRSA-N 2 1 291.439 2.136 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000170745724 367404566 /nfs/dbraw/zinc/40/45/66/367404566.db2.gz CBZSYXLDZNBIJM-GDBMZVCRSA-N 2 1 291.439 2.136 20 0 CEADMP Cc1[nH+]ccn1CCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000342559140 367421417 /nfs/dbraw/zinc/42/14/17/367421417.db2.gz XXKPPSYIKCCQTF-UHFFFAOYSA-N 2 1 278.444 2.245 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CC12CCOCC2 ZINC000631827514 367566250 /nfs/dbraw/zinc/56/62/50/367566250.db2.gz POJOUVKRJDUYKJ-STQMWFEESA-N 2 1 288.382 2.109 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342813165 367551566 /nfs/dbraw/zinc/55/15/66/367551566.db2.gz GZSADNLLHUCWMT-SWLSCSKDSA-N 2 1 272.396 2.035 20 0 CEADMP C[N@@H+](Cc1cccc2c1CCOC2)CC(C)(C)C[NH3+] ZINC000631822022 367559028 /nfs/dbraw/zinc/55/90/28/367559028.db2.gz QPFNQXZIGMKORZ-UHFFFAOYSA-N 2 1 262.397 2.176 20 0 CEADMP c1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c2c(c1)COCC2 ZINC000631821126 367559658 /nfs/dbraw/zinc/55/96/58/367559658.db2.gz PUEFDEXAXDFZTP-UHFFFAOYSA-N 2 1 286.419 2.476 20 0 CEADMP C[C@H]1OCC[C@H]1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000631826146 367563798 /nfs/dbraw/zinc/56/37/98/367563798.db2.gz FZMAPWRYNPDVAR-HIFRSBDPSA-N 2 1 254.418 2.252 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000631755638 367524967 /nfs/dbraw/zinc/52/49/67/367524967.db2.gz DQHIVOSQTJMABK-GWOFURMSSA-N 2 1 250.308 2.257 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000631755638 367524973 /nfs/dbraw/zinc/52/49/73/367524973.db2.gz DQHIVOSQTJMABK-GWOFURMSSA-N 2 1 250.308 2.257 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1cccc3c1CCOC3)C2 ZINC000631830266 367568932 /nfs/dbraw/zinc/56/89/32/367568932.db2.gz NZUYNAAOZNMSBM-WBVHZDCISA-N 2 1 272.392 2.073 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1cccc3c1CCOC3)C2 ZINC000631830266 367568937 /nfs/dbraw/zinc/56/89/37/367568937.db2.gz NZUYNAAOZNMSBM-WBVHZDCISA-N 2 1 272.392 2.073 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1cccc3c1CCOC3)C2 ZINC000631830265 367569002 /nfs/dbraw/zinc/56/90/02/367569002.db2.gz NZUYNAAOZNMSBM-RDJZCZTQSA-N 2 1 272.392 2.073 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1cccc3c1CCOC3)C2 ZINC000631830265 367569005 /nfs/dbraw/zinc/56/90/05/367569005.db2.gz NZUYNAAOZNMSBM-RDJZCZTQSA-N 2 1 272.392 2.073 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000631833104 367572055 /nfs/dbraw/zinc/57/20/55/367572055.db2.gz SPDRFHFWTXYRED-CQSZACIVSA-N 2 1 275.396 2.219 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000631833104 367572057 /nfs/dbraw/zinc/57/20/57/367572057.db2.gz SPDRFHFWTXYRED-CQSZACIVSA-N 2 1 275.396 2.219 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1cccc2c1OC(F)(F)O2 ZINC000631829692 367567733 /nfs/dbraw/zinc/56/77/33/367567733.db2.gz XPKLUKGNQNTOEI-PWSUYJOCSA-N 2 1 298.333 2.362 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1cccc2c1OC(F)(F)O2 ZINC000631829692 367567734 /nfs/dbraw/zinc/56/77/34/367567734.db2.gz XPKLUKGNQNTOEI-PWSUYJOCSA-N 2 1 298.333 2.362 20 0 CEADMP COCC[NH+]1CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC000448075519 260813924 /nfs/dbraw/zinc/81/39/24/260813924.db2.gz VYXYJSGJLBLMRH-UHFFFAOYSA-N 2 1 252.402 2.020 20 0 CEADMP CCc1cccc(OCC[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631842995 367585514 /nfs/dbraw/zinc/58/55/14/367585514.db2.gz IGWDYFCFUPCRDZ-UKRRQHHQSA-N 2 1 262.397 2.154 20 0 CEADMP [NH3+][C@H]1CCCCC[N@H+](Cc2cccc3c2CCOC3)C1 ZINC000631834925 367572940 /nfs/dbraw/zinc/57/29/40/367572940.db2.gz IMQMYEUUEARRPC-INIZCTEOSA-N 2 1 274.408 2.463 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000631834925 367572945 /nfs/dbraw/zinc/57/29/45/367572945.db2.gz IMQMYEUUEARRPC-INIZCTEOSA-N 2 1 274.408 2.463 20 0 CEADMP Cc1nn(C)c(C)c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335543088 212241733 /nfs/dbraw/zinc/24/17/33/212241733.db2.gz IFQOSSONWIFEAE-GFCCVEGCSA-N 2 1 276.428 2.001 20 0 CEADMP FC(F)[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000631865348 367599823 /nfs/dbraw/zinc/59/98/23/367599823.db2.gz IPXJVZAJACADAC-ZDUSSCGKSA-N 2 1 276.371 2.122 20 0 CEADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)cc2)c1 ZINC000631885717 367609063 /nfs/dbraw/zinc/60/90/63/367609063.db2.gz BJXHCBWLIGEYNM-WMZOPIPTSA-N 2 1 296.418 2.446 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)s1 ZINC000631890840 367612065 /nfs/dbraw/zinc/61/20/65/367612065.db2.gz VYIMFCHOVFAOQH-QWHCGFSZSA-N 2 1 265.426 2.334 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)s1 ZINC000631890840 367612073 /nfs/dbraw/zinc/61/20/73/367612073.db2.gz VYIMFCHOVFAOQH-QWHCGFSZSA-N 2 1 265.426 2.334 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CCCCC(C)(C)C)C1CC1 ZINC000572511529 299375379 /nfs/dbraw/zinc/37/53/79/299375379.db2.gz CVHXLXOQPMULPU-CQSZACIVSA-N 2 1 256.434 2.248 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CCCCC(C)(C)C)C1CC1 ZINC000572511529 299375382 /nfs/dbraw/zinc/37/53/82/299375382.db2.gz CVHXLXOQPMULPU-CQSZACIVSA-N 2 1 256.434 2.248 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCCn2ccnc2)CC1 ZINC000343318183 367753824 /nfs/dbraw/zinc/75/38/24/367753824.db2.gz XDDXQMMYAFLWAS-UHFFFAOYSA-N 2 1 264.417 2.078 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1nccs1 ZINC000358043117 370882514 /nfs/dbraw/zinc/88/25/14/370882514.db2.gz HBPGPISPFGILNH-VXGBXAGGSA-N 2 1 253.415 2.006 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000358021351 370873269 /nfs/dbraw/zinc/87/32/69/370873269.db2.gz NLHZTZCYXDQIGV-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000173391736 367906212 /nfs/dbraw/zinc/90/62/12/367906212.db2.gz TWCMYOSQDDRCQM-INIZCTEOSA-N 2 1 275.440 2.365 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000261554449 284004858 /nfs/dbraw/zinc/00/48/58/284004858.db2.gz UFDWMUNGMYKWKE-YOEHRIQHSA-N 2 1 291.439 2.141 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)OC(C)(C)C ZINC000175594339 368155091 /nfs/dbraw/zinc/15/50/91/368155091.db2.gz HYXDORYWFGAUOD-KGLIPLIRSA-N 2 1 282.428 2.277 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)OC(C)(C)C ZINC000175594339 368155101 /nfs/dbraw/zinc/15/51/01/368155101.db2.gz HYXDORYWFGAUOD-KGLIPLIRSA-N 2 1 282.428 2.277 20 0 CEADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)OC(C)(C)C ZINC000175594339 368155105 /nfs/dbraw/zinc/15/51/05/368155105.db2.gz HYXDORYWFGAUOD-KGLIPLIRSA-N 2 1 282.428 2.277 20 0 CEADMP C[C@@H]1SCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000682160263 541639427 /nfs/dbraw/zinc/63/94/27/541639427.db2.gz VCHQKLDHNHAIES-QEJZJMRPSA-N 2 1 284.469 2.113 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)[C@H](C)C1 ZINC000176000316 368195261 /nfs/dbraw/zinc/19/52/61/368195261.db2.gz FELZTWAUOIGNOB-PSGMQZRDSA-N 2 1 294.464 2.244 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)[C@H](C)C1 ZINC000176000316 368195266 /nfs/dbraw/zinc/19/52/66/368195266.db2.gz FELZTWAUOIGNOB-PSGMQZRDSA-N 2 1 294.464 2.244 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000344730623 368134336 /nfs/dbraw/zinc/13/43/36/368134336.db2.gz YKXVKNWIBRLWNH-WMLDXEAASA-N 2 1 279.472 2.323 20 0 CEADMP CO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000572601264 299383400 /nfs/dbraw/zinc/38/34/00/299383400.db2.gz BTZKCPIUIRNNQU-RKTXRCNFSA-N 2 1 296.455 2.033 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC000176276384 368217840 /nfs/dbraw/zinc/21/78/40/368217840.db2.gz RUNGKMODXCOCNJ-QZTJIDSGSA-N 2 1 290.451 2.254 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000176276384 368217846 /nfs/dbraw/zinc/21/78/46/368217846.db2.gz RUNGKMODXCOCNJ-QZTJIDSGSA-N 2 1 290.451 2.254 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000176276384 368217851 /nfs/dbraw/zinc/21/78/51/368217851.db2.gz RUNGKMODXCOCNJ-QZTJIDSGSA-N 2 1 290.451 2.254 20 0 CEADMP OCCC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000178973390 368317939 /nfs/dbraw/zinc/31/79/39/368317939.db2.gz GRGSMKFGDHOLQQ-SFHVURJKSA-N 2 1 288.435 2.358 20 0 CEADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(C(C)(C)C)n1 ZINC000180230952 368373688 /nfs/dbraw/zinc/37/36/88/368373688.db2.gz XLSJHUMVCPTMBM-ZDUSSCGKSA-N 2 1 278.444 2.101 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(C(C)(C)C)n1 ZINC000180230952 368373692 /nfs/dbraw/zinc/37/36/92/368373692.db2.gz XLSJHUMVCPTMBM-ZDUSSCGKSA-N 2 1 278.444 2.101 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000572613506 299384711 /nfs/dbraw/zinc/38/47/11/299384711.db2.gz DWABKAWYHHRWBO-UHFFFAOYSA-N 2 1 291.439 2.370 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])CC(F)F)c2C1 ZINC000345793691 368423459 /nfs/dbraw/zinc/42/34/59/368423459.db2.gz KNYIZIWQVXPGNE-LBPRGKRZSA-N 2 1 297.349 2.333 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])CC(F)F)c2C1 ZINC000345793691 368423465 /nfs/dbraw/zinc/42/34/65/368423465.db2.gz KNYIZIWQVXPGNE-LBPRGKRZSA-N 2 1 297.349 2.333 20 0 CEADMP CC[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)[NH+](CC)CC ZINC000345985629 368507834 /nfs/dbraw/zinc/50/78/34/368507834.db2.gz DLFSFXOOHSLWLA-HRCADAONSA-N 2 1 297.487 2.486 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000346166965 368570912 /nfs/dbraw/zinc/57/09/12/368570912.db2.gz JKABWKSNWCRCCA-INIZCTEOSA-N 2 1 286.379 2.187 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)[C@@H]1C ZINC000183139264 368611757 /nfs/dbraw/zinc/61/17/57/368611757.db2.gz XSFIIIMYCIIQIT-BRWVUGGUSA-N 2 1 281.488 2.428 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCSC1 ZINC000183492081 368629092 /nfs/dbraw/zinc/62/90/92/368629092.db2.gz MZAHNOYEEPGXAA-WCQYABFASA-N 2 1 253.415 2.313 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@@H]2CCCO2)C1 ZINC000346413724 368667915 /nfs/dbraw/zinc/66/79/15/368667915.db2.gz NWQFWGPOKRLZGJ-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000346413724 368667918 /nfs/dbraw/zinc/66/79/18/368667918.db2.gz NWQFWGPOKRLZGJ-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000346413724 368667919 /nfs/dbraw/zinc/66/79/19/368667919.db2.gz NWQFWGPOKRLZGJ-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C1=C(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)COCC1 ZINC000246104157 370909317 /nfs/dbraw/zinc/90/93/17/370909317.db2.gz JKRPNCZAUYYSNB-DOTOQJQBSA-N 2 1 276.424 2.282 20 0 CEADMP C1=C(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)COCC1 ZINC000246104157 370909320 /nfs/dbraw/zinc/90/93/20/370909320.db2.gz JKRPNCZAUYYSNB-DOTOQJQBSA-N 2 1 276.424 2.282 20 0 CEADMP C1=C(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)COCC1 ZINC000246104157 370909325 /nfs/dbraw/zinc/90/93/25/370909325.db2.gz JKRPNCZAUYYSNB-DOTOQJQBSA-N 2 1 276.424 2.282 20 0 CEADMP C1=C(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)COCC1 ZINC000246104157 370909329 /nfs/dbraw/zinc/90/93/29/370909329.db2.gz JKRPNCZAUYYSNB-DOTOQJQBSA-N 2 1 276.424 2.282 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)c1ccccc1 ZINC000639041297 370920332 /nfs/dbraw/zinc/92/03/32/370920332.db2.gz ILYWEORKWIWDQD-BZUAXINKSA-N 2 1 289.423 2.066 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)s1 ZINC000346662222 368759074 /nfs/dbraw/zinc/75/90/74/368759074.db2.gz WKZYZTFUYVBYIU-RYUDHWBXSA-N 2 1 282.457 2.158 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)s1 ZINC000346662222 368759078 /nfs/dbraw/zinc/75/90/78/368759078.db2.gz WKZYZTFUYVBYIU-RYUDHWBXSA-N 2 1 282.457 2.158 20 0 CEADMP Cc1cnc([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)o1 ZINC000330627475 203055195 /nfs/dbraw/zinc/05/51/95/203055195.db2.gz KENRPFSCSVJWSC-TZMCWYRMSA-N 2 1 295.427 2.069 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000358176593 370938146 /nfs/dbraw/zinc/93/81/46/370938146.db2.gz WVEHWJQNBCWAAB-CYBMUJFWSA-N 2 1 289.206 2.150 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000358176593 370938151 /nfs/dbraw/zinc/93/81/51/370938151.db2.gz WVEHWJQNBCWAAB-CYBMUJFWSA-N 2 1 289.206 2.150 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346682050 368767462 /nfs/dbraw/zinc/76/74/62/368767462.db2.gz OVVMBHGXZROPAA-RISCZKNCSA-N 2 1 278.444 2.424 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000346685466 368767922 /nfs/dbraw/zinc/76/79/22/368767922.db2.gz SIVDOGPAYJETIQ-JSGCOSHPSA-N 2 1 270.380 2.246 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(CC)(CC)CO)[C@H](C)C1 ZINC000246302935 370943437 /nfs/dbraw/zinc/94/34/37/370943437.db2.gz DFEDESFNSGAAKP-KGLIPLIRSA-N 2 1 256.434 2.105 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(OC(F)F)c1 ZINC000346685544 368768101 /nfs/dbraw/zinc/76/81/01/368768101.db2.gz SUYJRYPKTMEIFW-ZYHUDNBSSA-N 2 1 270.323 2.457 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](C)CC1CCOCC1 ZINC000346685278 368768720 /nfs/dbraw/zinc/76/87/20/368768720.db2.gz QPZWRGTVCHZAKA-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](C)CC1CCOCC1 ZINC000346685278 368768728 /nfs/dbraw/zinc/76/87/28/368768728.db2.gz QPZWRGTVCHZAKA-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP COCCCOc1cccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000346692306 368774853 /nfs/dbraw/zinc/77/48/53/368774853.db2.gz YBWQGXAJOKOEAX-GOEBONIOSA-N 2 1 292.423 2.271 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000346644893 368748758 /nfs/dbraw/zinc/74/87/58/368748758.db2.gz NNQLFFIWIZVYFC-YOEHRIQHSA-N 2 1 284.407 2.101 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000346644893 368748764 /nfs/dbraw/zinc/74/87/64/368748764.db2.gz NNQLFFIWIZVYFC-YOEHRIQHSA-N 2 1 284.407 2.101 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000346651120 368752977 /nfs/dbraw/zinc/75/29/77/368752977.db2.gz GYQGESDYCFRVMM-AAEUAGOBSA-N 2 1 288.370 2.385 20 0 CEADMP CC(C)c1ncc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)s1 ZINC000346657930 368756426 /nfs/dbraw/zinc/75/64/26/368756426.db2.gz HIVNMFKMQFZXTN-GHMZBOCLSA-N 2 1 253.415 2.436 20 0 CEADMP CC(C)c1ncc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)s1 ZINC000346657930 368756432 /nfs/dbraw/zinc/75/64/32/368756432.db2.gz HIVNMFKMQFZXTN-GHMZBOCLSA-N 2 1 253.415 2.436 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634678708 368808171 /nfs/dbraw/zinc/80/81/71/368808171.db2.gz BKIUHUZZEBZRNN-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634684349 368812913 /nfs/dbraw/zinc/81/29/13/368812913.db2.gz NXUKJTICZBBXRR-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634684349 368812917 /nfs/dbraw/zinc/81/29/17/368812917.db2.gz NXUKJTICZBBXRR-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP O[C@@]1(C[NH2+][C@@H]2CC=CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634703860 368830091 /nfs/dbraw/zinc/83/00/91/368830091.db2.gz CCTTVUPZDZTPTB-QZTJIDSGSA-N 2 1 286.419 2.322 20 0 CEADMP O[C@@]1(C[NH2+][C@@H]2CC=CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634703860 368830097 /nfs/dbraw/zinc/83/00/97/368830097.db2.gz CCTTVUPZDZTPTB-QZTJIDSGSA-N 2 1 286.419 2.322 20 0 CEADMP O[C@@]1(C[NH2+][C@H]2CC=CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634703862 368830306 /nfs/dbraw/zinc/83/03/06/368830306.db2.gz CCTTVUPZDZTPTB-ZWKOTPCHSA-N 2 1 286.419 2.322 20 0 CEADMP O[C@@]1(C[NH2+][C@H]2CC=CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634703862 368830310 /nfs/dbraw/zinc/83/03/10/368830310.db2.gz CCTTVUPZDZTPTB-ZWKOTPCHSA-N 2 1 286.419 2.322 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000346694666 368777160 /nfs/dbraw/zinc/77/71/60/368777160.db2.gz VMGJVLYKVBMKTP-DZGCQCFKSA-N 2 1 298.390 2.438 20 0 CEADMP CCO[C@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C12CCC2 ZINC000346960704 368795400 /nfs/dbraw/zinc/79/54/00/368795400.db2.gz FPHGZBOTYRRKHT-GJZGRUSLSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347003754 368796894 /nfs/dbraw/zinc/79/68/94/368796894.db2.gz MCBNXMBEMKHROP-UMVBOHGHSA-N 2 1 254.418 2.108 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348061776 368880904 /nfs/dbraw/zinc/88/09/04/368880904.db2.gz WUAXWMVPRGGBGH-AGIUHOORSA-N 2 1 294.361 2.418 20 0 CEADMP CC[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000348125500 368909443 /nfs/dbraw/zinc/90/94/43/368909443.db2.gz PCJARWDRANFDDI-QLFBSQMISA-N 2 1 254.418 2.002 20 0 CEADMP CCn1cc(CC[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cn1 ZINC000348313621 368997360 /nfs/dbraw/zinc/99/73/60/368997360.db2.gz AUNPAPDWTWHKBB-GOEBONIOSA-N 2 1 278.444 2.108 20 0 CEADMP CCn1cc(CC[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cn1 ZINC000348313621 368997366 /nfs/dbraw/zinc/99/73/66/368997366.db2.gz AUNPAPDWTWHKBB-GOEBONIOSA-N 2 1 278.444 2.108 20 0 CEADMP CCn1cc(CC[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cn1 ZINC000348313621 368997370 /nfs/dbraw/zinc/99/73/70/368997370.db2.gz AUNPAPDWTWHKBB-GOEBONIOSA-N 2 1 278.444 2.108 20 0 CEADMP Cc1ccccc1C1(C[NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000634995935 369025458 /nfs/dbraw/zinc/02/54/58/369025458.db2.gz UQPSBQXJXASWCE-UHFFFAOYSA-N 2 1 256.393 2.368 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000635011499 369048123 /nfs/dbraw/zinc/04/81/23/369048123.db2.gz PVCGJJKXZWCCHN-DLBZAZTESA-N 3 1 285.435 2.049 20 0 CEADMP c1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000635011499 369048127 /nfs/dbraw/zinc/04/81/27/369048127.db2.gz PVCGJJKXZWCCHN-DLBZAZTESA-N 2 1 285.435 2.049 20 0 CEADMP c1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000635011499 369048132 /nfs/dbraw/zinc/04/81/32/369048132.db2.gz PVCGJJKXZWCCHN-DLBZAZTESA-N 2 1 285.435 2.049 20 0 CEADMP Cc1nccnc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635011270 369048352 /nfs/dbraw/zinc/04/83/52/369048352.db2.gz NAIHXMLKSYVESH-CHWSQXEVSA-N 2 1 262.401 2.214 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3cnccc32)C[C@H]1C[NH3+] ZINC000634998597 369032195 /nfs/dbraw/zinc/03/21/95/369032195.db2.gz ICHKORSXZHVBBM-IUODEOHRSA-N 2 1 255.365 2.261 20 0 CEADMP CCOCc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1OC ZINC000634999121 369033453 /nfs/dbraw/zinc/03/34/53/369033453.db2.gz QKHIUBSYNYSOFH-CZUORRHYSA-N 2 1 292.423 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)C[C@H]1C[NH3+] ZINC000634999429 369034017 /nfs/dbraw/zinc/03/40/17/369034017.db2.gz UPZACNUPLXATFK-UKRRQHHQSA-N 2 1 296.418 2.357 20 0 CEADMP Cc1nccnc1[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635011273 369048513 /nfs/dbraw/zinc/04/85/13/369048513.db2.gz NAIHXMLKSYVESH-STQMWFEESA-N 2 1 262.401 2.214 20 0 CEADMP C[C@H]([NH2+]Cc1ccsc1C(F)(F)F)C1C[NH2+]C1 ZINC000635006087 369042937 /nfs/dbraw/zinc/04/29/37/369042937.db2.gz XKFQOCDWRLMZHI-ZETCQYMHSA-N 2 1 264.316 2.464 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000635009664 369045354 /nfs/dbraw/zinc/04/53/54/369045354.db2.gz JZTUKMDVSAUYBI-UHFFFAOYSA-N 3 1 287.451 2.296 20 0 CEADMP Cc1nccnc1[C@@H](C)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635009161 369045591 /nfs/dbraw/zinc/04/55/91/369045591.db2.gz UEMPXIIKAJMSQS-CZUORRHYSA-N 2 1 284.407 2.396 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634953675 368987810 /nfs/dbraw/zinc/98/78/10/368987810.db2.gz HJCNFYSWFRFNRU-AWEZNQCLSA-N 2 1 270.380 2.061 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000635013208 369051984 /nfs/dbraw/zinc/05/19/84/369051984.db2.gz DDXCSTCHLONMRC-ZLDLUXBVSA-N 2 1 282.815 2.146 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000348765610 369147258 /nfs/dbraw/zinc/14/72/58/369147258.db2.gz RPWYTTHLBFIRNF-SWLSCSKDSA-N 2 1 271.364 2.346 20 0 CEADMP C[C@H]1C[N@@H+](CCCc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000348754523 369142352 /nfs/dbraw/zinc/14/23/52/369142352.db2.gz AHSPIFOLTWZHTM-WFASDCNBSA-N 2 1 250.361 2.427 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC000635448746 369176705 /nfs/dbraw/zinc/17/67/05/369176705.db2.gz INFWSCDGSZIUPC-OAHLLOKOSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC000635448746 369176711 /nfs/dbraw/zinc/17/67/11/369176711.db2.gz INFWSCDGSZIUPC-OAHLLOKOSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000635448746 369176713 /nfs/dbraw/zinc/17/67/13/369176713.db2.gz INFWSCDGSZIUPC-OAHLLOKOSA-N 2 1 297.487 2.201 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]CCC(C)(C)C)CC1 ZINC000187662725 369197689 /nfs/dbraw/zinc/19/76/89/369197689.db2.gz WCZYNSOPTRZDEW-UHFFFAOYSA-N 2 1 269.477 2.430 20 0 CEADMP COC[C@@H](C)C[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000187676375 369199836 /nfs/dbraw/zinc/19/98/36/369199836.db2.gz SUISIHCRNLBFQI-DZGCQCFKSA-N 2 1 256.434 2.369 20 0 CEADMP CC[NH+](CC)CCCN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000187672479 369200418 /nfs/dbraw/zinc/20/04/18/369200418.db2.gz ADPKZRDQRNOLKB-HUUCEWRRSA-N 2 1 255.450 2.133 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H]1CCSC1 ZINC000349069962 369234693 /nfs/dbraw/zinc/23/46/93/369234693.db2.gz AASLIANOFRZWPG-JKSUJKDBSA-N 2 1 299.528 2.087 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC[C@](C)(O)c2ccccc2)CC[N@H+]1C ZINC000187892422 369244508 /nfs/dbraw/zinc/24/45/08/369244508.db2.gz WXOHQEFWKJZQLD-XIRDDKMYSA-N 2 1 276.424 2.357 20 0 CEADMP Cc1ccnc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000683017282 541752232 /nfs/dbraw/zinc/75/22/32/541752232.db2.gz DZOJKDZITAXMDW-GVDBMIGSSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ccnc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000683017282 541752236 /nfs/dbraw/zinc/75/22/36/541752236.db2.gz DZOJKDZITAXMDW-GVDBMIGSSA-N 2 1 289.423 2.074 20 0 CEADMP CC(C)CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000683111395 541762803 /nfs/dbraw/zinc/76/28/03/541762803.db2.gz WQJPCWBCGGHWKV-HNNXBMFYSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CC=C(C[NH2+][C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000349784864 369399672 /nfs/dbraw/zinc/39/96/72/369399672.db2.gz SIGYAEKXRCVKHZ-SFHVURJKSA-N 2 1 294.402 2.418 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000349784864 369399678 /nfs/dbraw/zinc/39/96/78/369399678.db2.gz SIGYAEKXRCVKHZ-SFHVURJKSA-N 2 1 294.402 2.418 20 0 CEADMP Cc1cnc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000349833772 369415976 /nfs/dbraw/zinc/41/59/76/369415976.db2.gz LRCLWYZBZRLLIN-MDZLAQPJSA-N 2 1 267.442 2.485 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc(F)c2N)CC1 ZINC000639081335 370954471 /nfs/dbraw/zinc/95/44/71/370954471.db2.gz HNKGPOVDAXUQLG-UHFFFAOYSA-N 2 1 277.387 2.468 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1-n1cccn1 ZINC000358218958 370955586 /nfs/dbraw/zinc/95/55/86/370955586.db2.gz DEEBTWSQTMQURK-GOEBONIOSA-N 2 1 284.407 2.302 20 0 CEADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(C)cc1 ZINC000358256702 370975955 /nfs/dbraw/zinc/97/59/55/370975955.db2.gz RHRJXRQPVBDKEC-HZPDHXFCSA-N 2 1 262.397 2.102 20 0 CEADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000358256702 370975960 /nfs/dbraw/zinc/97/59/60/370975960.db2.gz RHRJXRQPVBDKEC-HZPDHXFCSA-N 2 1 262.397 2.102 20 0 CEADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358257603 370977764 /nfs/dbraw/zinc/97/77/64/370977764.db2.gz SEFJJBZPZPQLOP-QZTJIDSGSA-N 2 1 290.451 2.300 20 0 CEADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358257603 370977766 /nfs/dbraw/zinc/97/77/66/370977766.db2.gz SEFJJBZPZPQLOP-QZTJIDSGSA-N 2 1 290.451 2.300 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000276295595 193274918 /nfs/dbraw/zinc/27/49/18/193274918.db2.gz QQWXLFFORQICNS-ZDUSSCGKSA-N 2 1 291.395 2.036 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000276295595 193274920 /nfs/dbraw/zinc/27/49/20/193274920.db2.gz QQWXLFFORQICNS-ZDUSSCGKSA-N 2 1 291.395 2.036 20 0 CEADMP Cc1nccn1CCC[N@H+](C)Cc1cncc(C)c1 ZINC000189966901 369583042 /nfs/dbraw/zinc/58/30/42/369583042.db2.gz DVFZOZLEEXIOKJ-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cncc(C)c1 ZINC000189966901 369583052 /nfs/dbraw/zinc/58/30/52/369583052.db2.gz DVFZOZLEEXIOKJ-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP Cc1cnn([C@@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000352414016 369719575 /nfs/dbraw/zinc/71/95/75/369719575.db2.gz DAVKKAFPPMRMOJ-JKSUJKDBSA-N 2 1 276.428 2.313 20 0 CEADMP Cc1cnn([C@@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)c1 ZINC000352414016 369719580 /nfs/dbraw/zinc/71/95/80/369719580.db2.gz DAVKKAFPPMRMOJ-JKSUJKDBSA-N 2 1 276.428 2.313 20 0 CEADMP Cc1cnn([C@@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)c1 ZINC000352414016 369719588 /nfs/dbraw/zinc/71/95/88/369719588.db2.gz DAVKKAFPPMRMOJ-JKSUJKDBSA-N 2 1 276.428 2.313 20 0 CEADMP Cc1cnn([C@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000352414014 369719783 /nfs/dbraw/zinc/71/97/83/369719783.db2.gz DAVKKAFPPMRMOJ-HOTGVXAUSA-N 2 1 276.428 2.313 20 0 CEADMP Cc1cnn([C@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)c1 ZINC000352414014 369719788 /nfs/dbraw/zinc/71/97/88/369719788.db2.gz DAVKKAFPPMRMOJ-HOTGVXAUSA-N 2 1 276.428 2.313 20 0 CEADMP Cc1cnn([C@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)c1 ZINC000352414014 369719793 /nfs/dbraw/zinc/71/97/93/369719793.db2.gz DAVKKAFPPMRMOJ-HOTGVXAUSA-N 2 1 276.428 2.313 20 0 CEADMP CCn1nccc1C[N@H+](C)CCCCn1cc[nH+]c1C ZINC000352368461 369694812 /nfs/dbraw/zinc/69/48/12/369694812.db2.gz IALCPASFJULKBW-UHFFFAOYSA-N 2 1 275.400 2.320 20 0 CEADMP CCn1nccc1C[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000352368461 369694815 /nfs/dbraw/zinc/69/48/15/369694815.db2.gz IALCPASFJULKBW-UHFFFAOYSA-N 2 1 275.400 2.320 20 0 CEADMP [NH3+]CCC[N@@H+](CCOCC(F)(F)F)CC1CCCC1 ZINC000352519362 369770366 /nfs/dbraw/zinc/77/03/66/369770366.db2.gz OBPNFBCSAKCFMN-UHFFFAOYSA-N 2 1 282.350 2.406 20 0 CEADMP Cc1cccc2ncc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])n21 ZINC000352527075 369774123 /nfs/dbraw/zinc/77/41/23/369774123.db2.gz VYPHVBTWNOVXTP-CQSZACIVSA-N 2 1 272.396 2.346 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CCCC[C@@H]3CC[NH3+])n21 ZINC000352527075 369774129 /nfs/dbraw/zinc/77/41/29/369774129.db2.gz VYPHVBTWNOVXTP-CQSZACIVSA-N 2 1 272.396 2.346 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000352535392 369776445 /nfs/dbraw/zinc/77/64/45/369776445.db2.gz QAXXBUUCEHUHSN-KRWDZBQOSA-N 2 1 290.455 2.485 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000352535392 369776449 /nfs/dbraw/zinc/77/64/49/369776449.db2.gz QAXXBUUCEHUHSN-KRWDZBQOSA-N 2 1 290.455 2.485 20 0 CEADMP Cc1cccn2c(C[N@@H+]3CCCC[C@H]3CC[NH3+])cnc12 ZINC000352540380 369778897 /nfs/dbraw/zinc/77/88/97/369778897.db2.gz KKLRNDWNCGUCNN-AWEZNQCLSA-N 2 1 272.396 2.346 20 0 CEADMP Cc1cccn2c(C[N@H+]3CCCC[C@H]3CC[NH3+])cnc12 ZINC000352540380 369778900 /nfs/dbraw/zinc/77/89/00/369778900.db2.gz KKLRNDWNCGUCNN-AWEZNQCLSA-N 2 1 272.396 2.346 20 0 CEADMP COC(=O)c1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)c[nH]1 ZINC000352540475 369779021 /nfs/dbraw/zinc/77/90/21/369779021.db2.gz LODHAVCVTDHACL-UHFFFAOYSA-N 2 1 293.411 2.142 20 0 CEADMP CN(CC[C@@H]1CCC[N@H+]1C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352925359 369951205 /nfs/dbraw/zinc/95/12/05/369951205.db2.gz OPMVURHWJXMYOS-LSVZVQIISA-N 2 1 265.445 2.028 20 0 CEADMP CN(CC[C@@H]1CCC[NH+]1C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352925359 369951208 /nfs/dbraw/zinc/95/12/08/369951208.db2.gz OPMVURHWJXMYOS-LSVZVQIISA-N 2 1 265.445 2.028 20 0 CEADMP CN(CC[C@@H]1CCC[NH+]1C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352925359 369951212 /nfs/dbraw/zinc/95/12/12/369951212.db2.gz OPMVURHWJXMYOS-LSVZVQIISA-N 2 1 265.445 2.028 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)CCOc1ccccc1 ZINC000193456982 369944699 /nfs/dbraw/zinc/94/46/99/369944699.db2.gz VNFYAGVGYSECOC-UHFFFAOYSA-N 2 1 262.397 2.483 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)CCOc1ccccc1 ZINC000193456982 369944703 /nfs/dbraw/zinc/94/47/03/369944703.db2.gz VNFYAGVGYSECOC-UHFFFAOYSA-N 2 1 262.397 2.483 20 0 CEADMP C[N@H+](CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C1CCCC1 ZINC000194030462 369999980 /nfs/dbraw/zinc/99/99/80/369999980.db2.gz QOOAAWKMHNXDIV-OWCLPIDISA-N 2 1 278.440 2.408 20 0 CEADMP C[N@@H+](CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C1CCCC1 ZINC000194030462 369999986 /nfs/dbraw/zinc/99/99/86/369999986.db2.gz QOOAAWKMHNXDIV-OWCLPIDISA-N 2 1 278.440 2.408 20 0 CEADMP CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353077189 370009767 /nfs/dbraw/zinc/00/97/67/370009767.db2.gz DOVSKMXSAJCQHD-DOMZBBRYSA-N 2 1 265.401 2.034 20 0 CEADMP Cc1cccnc1C(C)(C)C[NH2+]C1CC[NH+](C)CC1 ZINC000353117756 370024080 /nfs/dbraw/zinc/02/40/80/370024080.db2.gz NDBFXTDYOQDXLF-UHFFFAOYSA-N 2 1 261.413 2.351 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353528579 370116307 /nfs/dbraw/zinc/11/63/07/370116307.db2.gz NRUCLKQVQXCZNL-ARKGTOAJSA-N 2 1 268.445 2.246 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCC2(C[NH+](C)C)CCCC2)C1 ZINC000353166299 370049398 /nfs/dbraw/zinc/04/93/98/370049398.db2.gz JJMMVKBFGLPBOP-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1C[C@H](C)[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C1 ZINC000353166299 370049401 /nfs/dbraw/zinc/04/94/01/370049401.db2.gz JJMMVKBFGLPBOP-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000353452078 370113183 /nfs/dbraw/zinc/11/31/83/370113183.db2.gz QLQOVORIAOCDCP-HOTGVXAUSA-N 2 1 295.471 2.001 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC000353997236 370169363 /nfs/dbraw/zinc/16/93/63/370169363.db2.gz QWXAHDIBNVNEGH-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC000353997236 370169370 /nfs/dbraw/zinc/16/93/70/370169370.db2.gz QWXAHDIBNVNEGH-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000353911893 370132891 /nfs/dbraw/zinc/13/28/91/370132891.db2.gz HAYPBUXOCGCMSI-UONOGXRCSA-N 2 1 284.444 2.428 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000353911893 370132894 /nfs/dbraw/zinc/13/28/94/370132894.db2.gz HAYPBUXOCGCMSI-UONOGXRCSA-N 2 1 284.444 2.428 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C)[NH+]1CCCC1 ZINC000353931804 370142602 /nfs/dbraw/zinc/14/26/02/370142602.db2.gz KKTHFKHFZVPJDE-KLHDSHLOSA-N 2 1 296.455 2.428 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnccc1C ZINC000353946364 370148496 /nfs/dbraw/zinc/14/84/96/370148496.db2.gz VEVUFROUQDVBBS-LBPRGKRZSA-N 2 1 258.369 2.321 20 0 CEADMP CC[NH+](CC)[C@H](CNc1cc[nH+]c(N(C)C)n1)CC(C)C ZINC000354103305 370217632 /nfs/dbraw/zinc/21/76/32/370217632.db2.gz UWCPMHFJDAVSPE-AWEZNQCLSA-N 2 1 293.459 2.133 20 0 CEADMP CCOC(=O)c1coc(CNC[C@H]2CCC[N@@H+](CC)C2)c1 ZINC000354146635 370232913 /nfs/dbraw/zinc/23/29/13/370232913.db2.gz PFKQDTCEQDKUFT-CYBMUJFWSA-N 2 1 294.395 2.278 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NC2CCCC2)C[C@@H]1C ZINC000354225944 370270615 /nfs/dbraw/zinc/27/06/15/370270615.db2.gz ZSRQNJOXVHNEMT-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NC2CCCC2)C[C@@H]1C ZINC000354225944 370270618 /nfs/dbraw/zinc/27/06/18/370270618.db2.gz ZSRQNJOXVHNEMT-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)NC2CCCC2)C[C@@H]1C ZINC000354225944 370270625 /nfs/dbraw/zinc/27/06/25/370270625.db2.gz ZSRQNJOXVHNEMT-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)CC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000638058800 370273521 /nfs/dbraw/zinc/27/35/21/370273521.db2.gz WOKXNDSJMKOIJH-GJZGRUSLSA-N 2 1 283.460 2.131 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@](C)(CC)OC)C1 ZINC000638128913 370323108 /nfs/dbraw/zinc/32/31/08/370323108.db2.gz ZKHSFUIALUKPGI-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@](C)(CC)OC)C1 ZINC000638128913 370323111 /nfs/dbraw/zinc/32/31/11/370323111.db2.gz ZKHSFUIALUKPGI-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@](C)(CC)OC)C1 ZINC000638128913 370323113 /nfs/dbraw/zinc/32/31/13/370323113.db2.gz ZKHSFUIALUKPGI-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CCOCC2)[C@@H](C)C1 ZINC000638113957 370311603 /nfs/dbraw/zinc/31/16/03/370311603.db2.gz ROVRPGCJAFVQIJ-BHYGNILZSA-N 2 1 298.471 2.090 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)C2CCOCC2)[C@@H](C)C1 ZINC000638113957 370311610 /nfs/dbraw/zinc/31/16/10/370311610.db2.gz ROVRPGCJAFVQIJ-BHYGNILZSA-N 2 1 298.471 2.090 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)C2CCOCC2)[C@@H](C)C1 ZINC000638113957 370311615 /nfs/dbraw/zinc/31/16/15/370311615.db2.gz ROVRPGCJAFVQIJ-BHYGNILZSA-N 2 1 298.471 2.090 20 0 CEADMP CC[C@H](C)[C@H](C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1)OC ZINC000638116264 370312380 /nfs/dbraw/zinc/31/23/80/370312380.db2.gz JAVPWVLGCIEIHA-AJNGGQMLSA-N 2 1 256.434 2.462 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000638116264 370312384 /nfs/dbraw/zinc/31/23/84/370312384.db2.gz JAVPWVLGCIEIHA-AJNGGQMLSA-N 2 1 256.434 2.462 20 0 CEADMP CC[C@H](C)[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)OC ZINC000638116264 370312388 /nfs/dbraw/zinc/31/23/88/370312388.db2.gz JAVPWVLGCIEIHA-AJNGGQMLSA-N 2 1 256.434 2.462 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000638116264 370312390 /nfs/dbraw/zinc/31/23/90/370312390.db2.gz JAVPWVLGCIEIHA-AJNGGQMLSA-N 2 1 256.434 2.462 20 0 CEADMP CC[C@H](C)[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000638116264 370312393 /nfs/dbraw/zinc/31/23/93/370312393.db2.gz JAVPWVLGCIEIHA-AJNGGQMLSA-N 2 1 256.434 2.462 20 0 CEADMP COCCc1ncc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000638116583 370312454 /nfs/dbraw/zinc/31/24/54/370312454.db2.gz JMDRIICMZXJULO-STQMWFEESA-N 2 1 297.468 2.247 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000227074270 370357146 /nfs/dbraw/zinc/35/71/46/370357146.db2.gz AITPULRQOCBYIW-GXTWGEPZSA-N 2 1 278.396 2.181 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000227074270 370357153 /nfs/dbraw/zinc/35/71/53/370357153.db2.gz AITPULRQOCBYIW-GXTWGEPZSA-N 2 1 278.396 2.181 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]CC[N@H+](C)C1CCCC1 ZINC000354349962 370326996 /nfs/dbraw/zinc/32/69/96/370326996.db2.gz WZBZQUDSWPGSKS-UHFFFAOYSA-N 2 1 270.417 2.040 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000354349962 370327001 /nfs/dbraw/zinc/32/70/01/370327001.db2.gz WZBZQUDSWPGSKS-UHFFFAOYSA-N 2 1 270.417 2.040 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)C2CCC(C)CC2)C1 ZINC000226335897 370336004 /nfs/dbraw/zinc/33/60/04/370336004.db2.gz RUENDNHORKUMDA-PWUWZPNHSA-N 2 1 295.471 2.083 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CCC(C)CC2)C1 ZINC000226335897 370336009 /nfs/dbraw/zinc/33/60/09/370336009.db2.gz RUENDNHORKUMDA-PWUWZPNHSA-N 2 1 295.471 2.083 20 0 CEADMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000226434696 370342091 /nfs/dbraw/zinc/34/20/91/370342091.db2.gz LXAFZDSIELDGBK-HUUCEWRRSA-N 2 1 290.407 2.148 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000226571481 370345956 /nfs/dbraw/zinc/34/59/56/370345956.db2.gz IGOGSDAGOYSAJF-ZNMIVQPWSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CCC[C@@H]1CCO1 ZINC000638301707 370433273 /nfs/dbraw/zinc/43/32/73/370433273.db2.gz DLNUQYMFRDXWOB-LSDHHAIUSA-N 2 1 254.418 2.410 20 0 CEADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000228724675 370412699 /nfs/dbraw/zinc/41/26/99/370412699.db2.gz WELNXUSJQRWEPI-HNNXBMFYSA-N 2 1 284.469 2.448 20 0 CEADMP CC[C@@](C)(C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C)OC ZINC000638334665 370452204 /nfs/dbraw/zinc/45/22/04/370452204.db2.gz DPUWEFUDSCCISO-OCCSQVGLSA-N 2 1 253.390 2.232 20 0 CEADMP C[C@H](C[NH2+]CCC[C@@H]1CCO1)[N@@H+]1CCCC[C@H]1C ZINC000638362022 370471097 /nfs/dbraw/zinc/47/10/97/370471097.db2.gz XOJDNQJSOLQQET-RBSFLKMASA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H](C[NH2+]CCC[C@@H]1CCO1)[N@H+]1CCCC[C@H]1C ZINC000638362022 370471100 /nfs/dbraw/zinc/47/11/00/370471100.db2.gz XOJDNQJSOLQQET-RBSFLKMASA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H](C[NH2+]C1CC(n2cccn2)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000638364240 370474346 /nfs/dbraw/zinc/47/43/46/370474346.db2.gz XZRJBVYBOJEAMC-FXQLRMTLSA-N 2 1 276.428 2.297 20 0 CEADMP C[C@@H](C[NH2+]C1CC(n2cccn2)C1)[N@H+]1CCC[C@H](C)C1 ZINC000638364240 370474350 /nfs/dbraw/zinc/47/43/50/370474350.db2.gz XZRJBVYBOJEAMC-FXQLRMTLSA-N 2 1 276.428 2.297 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CCC[C@H]1CCO1 ZINC000638413301 370512259 /nfs/dbraw/zinc/51/22/59/370512259.db2.gz SBKFGZJDNPMBNS-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CCC[C@H]1CCO1 ZINC000638413301 370512260 /nfs/dbraw/zinc/51/22/60/370512260.db2.gz SBKFGZJDNPMBNS-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CCC[C@@H]1CCO1 ZINC000638413302 370512794 /nfs/dbraw/zinc/51/27/94/370512794.db2.gz SBKFGZJDNPMBNS-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CCC[C@@H]1CCO1 ZINC000638413302 370512801 /nfs/dbraw/zinc/51/28/01/370512801.db2.gz SBKFGZJDNPMBNS-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP Cn1cc(CCC[NH2+]C[C@H](C2CCCCC2)[NH+](C)C)cn1 ZINC000638375389 370483269 /nfs/dbraw/zinc/48/32/69/370483269.db2.gz ZWWRCTCJDDDSAW-QGZVFWFLSA-N 2 1 292.471 2.453 20 0 CEADMP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000638437595 370530773 /nfs/dbraw/zinc/53/07/73/370530773.db2.gz OXWGSUHNJLRMMM-LSDHHAIUSA-N 2 1 295.471 2.288 20 0 CEADMP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000638437595 370530779 /nfs/dbraw/zinc/53/07/79/370530779.db2.gz OXWGSUHNJLRMMM-LSDHHAIUSA-N 2 1 295.471 2.288 20 0 CEADMP C(CC1CCOCC1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000638554381 370604100 /nfs/dbraw/zinc/60/41/00/370604100.db2.gz CYRHFOBCSSKWOE-UHFFFAOYSA-N 2 1 296.455 2.038 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCSc2ccccc2)C1 ZINC000235438717 370565918 /nfs/dbraw/zinc/56/59/18/370565918.db2.gz UPHPSJLCYQXSHI-AWEZNQCLSA-N 2 1 250.411 2.449 20 0 CEADMP C[C@H]1CCC[C@](C[NH2+]C2CCC(O)CC2)([NH+](C)C)C1 ZINC000235642950 370572441 /nfs/dbraw/zinc/57/24/41/370572441.db2.gz FREJJKFAUAQLGC-LBDPXKHJSA-N 2 1 268.445 2.390 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638596762 370627141 /nfs/dbraw/zinc/62/71/41/370627141.db2.gz POZVLGXJSJIZIY-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638596762 370627145 /nfs/dbraw/zinc/62/71/45/370627145.db2.gz POZVLGXJSJIZIY-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)[NH+](CC)CC ZINC000356212053 370627227 /nfs/dbraw/zinc/62/72/27/370627227.db2.gz FUQZYTUZKAWXSL-RDJZCZTQSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2COc3ccccc3O2)CC[N@H+]1C ZINC000358288045 370994292 /nfs/dbraw/zinc/99/42/92/370994292.db2.gz JKITVGHZGBFHPI-ILXRZTDVSA-N 2 1 290.407 2.289 20 0 CEADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(=O)[nH]c1 ZINC000639174620 371046442 /nfs/dbraw/zinc/04/64/42/371046442.db2.gz WWHSVZSYYIICCU-UHFFFAOYSA-N 2 1 265.401 2.341 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(=O)[nH]c1 ZINC000639174620 371046445 /nfs/dbraw/zinc/04/64/45/371046445.db2.gz WWHSVZSYYIICCU-UHFFFAOYSA-N 2 1 265.401 2.341 20 0 CEADMP CC[N@@H+](CCC[C@H]1CCO1)CCC[NH+]1CCCC1 ZINC000639174977 371049416 /nfs/dbraw/zinc/04/94/16/371049416.db2.gz DWNULASZKSHIFV-HNNXBMFYSA-N 2 1 254.418 2.363 20 0 CEADMP Cc1ccsc1[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358405640 371051845 /nfs/dbraw/zinc/05/18/45/371051845.db2.gz RFYQAMXOZAASNB-MJBXVCDLSA-N 2 1 280.437 2.306 20 0 CEADMP Cc1ccsc1[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358405640 371051848 /nfs/dbraw/zinc/05/18/48/371051848.db2.gz RFYQAMXOZAASNB-MJBXVCDLSA-N 2 1 280.437 2.306 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000358359221 371032493 /nfs/dbraw/zinc/03/24/93/371032493.db2.gz SWHMCDHPSFXBPT-CZUORRHYSA-N 2 1 289.423 2.443 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000358359221 371032498 /nfs/dbraw/zinc/03/24/98/371032498.db2.gz SWHMCDHPSFXBPT-CZUORRHYSA-N 2 1 289.423 2.443 20 0 CEADMP COCCC[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246961455 371037422 /nfs/dbraw/zinc/03/74/22/371037422.db2.gz IXACEYQOSOGZFE-OAGGEKHMSA-N 2 1 286.460 2.281 20 0 CEADMP CC[C@H](C)[C@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)OC ZINC000639170579 371042811 /nfs/dbraw/zinc/04/28/11/371042811.db2.gz VGSUADGIUZWFOY-RDJZCZTQSA-N 2 1 299.503 2.005 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@H](c3nccn3C)C2)sn1 ZINC000639176444 371052632 /nfs/dbraw/zinc/05/26/32/371052632.db2.gz GTNRCPMFCCADME-NSHDSACASA-N 2 1 262.382 2.175 20 0 CEADMP COCC1(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)CCC1 ZINC000639177809 371054675 /nfs/dbraw/zinc/05/46/75/371054675.db2.gz GYIZUAQHYUSCKC-GJZGRUSLSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1cccc(NCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000358410737 371055253 /nfs/dbraw/zinc/05/52/53/371055253.db2.gz XJOQRKDLYQTSNI-AEGPPILISA-N 2 1 276.428 2.120 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639189792 371070158 /nfs/dbraw/zinc/07/01/58/371070158.db2.gz QZAZMPPUYLKSMC-KKUMJFAQSA-N 2 1 283.460 2.144 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639189792 371070162 /nfs/dbraw/zinc/07/01/62/371070162.db2.gz QZAZMPPUYLKSMC-KKUMJFAQSA-N 2 1 283.460 2.144 20 0 CEADMP C[N@@H+](CCCC[NH2+]CCC1CCOCC1)C1CC1 ZINC000639244109 371139982 /nfs/dbraw/zinc/13/99/82/371139982.db2.gz GNLRCRZZUUDYAE-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP CCOC1CC(C[NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000639245599 371141258 /nfs/dbraw/zinc/14/12/58/371141258.db2.gz YWUAVGLDAKRCSB-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)(O)C[NH+]1CCC(Nc2cc3c(c[nH+]2)CCC3)CC1 ZINC000639210358 371100331 /nfs/dbraw/zinc/10/03/31/371100331.db2.gz JZKOXRAGLCVIHB-UHFFFAOYSA-N 2 1 289.423 2.218 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000247975720 371151510 /nfs/dbraw/zinc/15/15/10/371151510.db2.gz KRYKNCWWEMFFHV-GXTWGEPZSA-N 2 1 276.380 2.235 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000247975720 371151514 /nfs/dbraw/zinc/15/15/14/371151514.db2.gz KRYKNCWWEMFFHV-GXTWGEPZSA-N 2 1 276.380 2.235 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCC2CCOCC2)C1 ZINC000639259509 371159583 /nfs/dbraw/zinc/15/95/83/371159583.db2.gz QKIQOROQAPDRTM-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@H]1C[C@@H](c2nc(C3([NH3+])CCCCC3)no2)CC[N@H+]1C ZINC000331700353 204089623 /nfs/dbraw/zinc/08/96/23/204089623.db2.gz WAFLATQALORSGX-RYUDHWBXSA-N 2 1 278.400 2.385 20 0 CEADMP CC[N@H+](CC[NH2+]C1CCN(c2nccs2)CC1)C(C)C ZINC000358662582 371161068 /nfs/dbraw/zinc/16/10/68/371161068.db2.gz JAXISHPKCBGMMY-UHFFFAOYSA-N 2 1 296.484 2.432 20 0 CEADMP CC[N@@H+](CC[NH2+]C1CCN(c2nccs2)CC1)C(C)C ZINC000358662582 371161073 /nfs/dbraw/zinc/16/10/73/371161073.db2.gz JAXISHPKCBGMMY-UHFFFAOYSA-N 2 1 296.484 2.432 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CC3CCCC3)CC[C@H]21 ZINC000248875553 371260070 /nfs/dbraw/zinc/26/00/70/371260070.db2.gz FFEYVOKPSSHPLQ-IXDOHACOSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)CC3CCCC3)CC[C@H]21 ZINC000248875553 371260076 /nfs/dbraw/zinc/26/00/76/371260076.db2.gz FFEYVOKPSSHPLQ-IXDOHACOSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)CC3CCCC3)CC[C@H]21 ZINC000248875553 371260079 /nfs/dbraw/zinc/26/00/79/371260079.db2.gz FFEYVOKPSSHPLQ-IXDOHACOSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC2OCCO2)C1 ZINC000248640775 371229517 /nfs/dbraw/zinc/22/95/17/371229517.db2.gz YEXZKOROLXFGCF-HOTGVXAUSA-N 2 1 296.455 2.336 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)OC ZINC000639334244 371243778 /nfs/dbraw/zinc/24/37/78/371243778.db2.gz AZERWNQAWFREDN-XHSDSOJGSA-N 2 1 286.460 2.090 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248819599 371249987 /nfs/dbraw/zinc/24/99/87/371249987.db2.gz WHTKVHVADONZHR-APIJFGDWSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248819599 371249995 /nfs/dbraw/zinc/24/99/95/371249995.db2.gz WHTKVHVADONZHR-APIJFGDWSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H](C[C@@H](O)c1ccco1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248825454 371251746 /nfs/dbraw/zinc/25/17/46/371251746.db2.gz GAFARXKOMHCLLA-VAQLIOGMSA-N 2 1 278.396 2.306 20 0 CEADMP CO[C@](C)(C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000639345916 371257836 /nfs/dbraw/zinc/25/78/36/371257836.db2.gz CTHDXBOPIYOYHT-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000639377450 371286874 /nfs/dbraw/zinc/28/68/74/371286874.db2.gz DAYOFSAOQHJGFJ-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](CCCc2cnn(C)c2)CC1 ZINC000639379281 371288492 /nfs/dbraw/zinc/28/84/92/371288492.db2.gz WKIIHIFGMAWDKC-UHFFFAOYSA-N 2 1 278.444 2.159 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000358918533 371265645 /nfs/dbraw/zinc/26/56/45/371265645.db2.gz WNNKUFCPXHUMCJ-IMJJTQAJSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000358918533 371265648 /nfs/dbraw/zinc/26/56/48/371265648.db2.gz WNNKUFCPXHUMCJ-IMJJTQAJSA-N 2 1 274.412 2.014 20 0 CEADMP C[C@H](C(=O)N(C)CC1([NH+](C)C)CCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249838640 371365836 /nfs/dbraw/zinc/36/58/36/371365836.db2.gz NCXMTQDXPMAGGU-QLFBSQMISA-N 2 1 295.471 2.190 20 0 CEADMP COc1cc(C)nc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250963156 371395356 /nfs/dbraw/zinc/39/53/56/371395356.db2.gz UXCZWGSZCAAEJQ-HIFRSBDPSA-N 2 1 275.396 2.115 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000359279835 371407132 /nfs/dbraw/zinc/40/71/32/371407132.db2.gz UBAKLIXWPWODJH-DZGCQCFKSA-N 2 1 292.423 2.176 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639506237 371369770 /nfs/dbraw/zinc/36/97/70/371369770.db2.gz JGSVBXZACRBBTN-HUUCEWRRSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639506237 371369775 /nfs/dbraw/zinc/36/97/75/371369775.db2.gz JGSVBXZACRBBTN-HUUCEWRRSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639506237 371369778 /nfs/dbraw/zinc/36/97/78/371369778.db2.gz JGSVBXZACRBBTN-HUUCEWRRSA-N 2 1 268.445 2.465 20 0 CEADMP C(C[N@H+]1CCC[C@H]1CN1CCCCC1)C1CC[NH2+]CC1 ZINC000359207124 371375864 /nfs/dbraw/zinc/37/58/64/371375864.db2.gz AFDZSQYPIWCJQU-KRWDZBQOSA-N 2 1 279.472 2.326 20 0 CEADMP C(CN1CCC[C@H]1C[NH+]1CCCCC1)C1CC[NH2+]CC1 ZINC000359207124 371375870 /nfs/dbraw/zinc/37/58/70/371375870.db2.gz AFDZSQYPIWCJQU-KRWDZBQOSA-N 2 1 279.472 2.326 20 0 CEADMP c1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1OCC2 ZINC000250097621 371376770 /nfs/dbraw/zinc/37/67/70/371376770.db2.gz DLDBZNJZRHRBTH-IRXDYDNUSA-N 2 1 286.419 2.380 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252857619 371484044 /nfs/dbraw/zinc/48/40/44/371484044.db2.gz LKMPAKZYKRJEOX-CWRNSKLLSA-N 2 1 260.381 2.254 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000252104915 371431284 /nfs/dbraw/zinc/43/12/84/371431284.db2.gz GVVYKNUMTBIBRF-JKSUJKDBSA-N 2 1 295.471 2.147 20 0 CEADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000252513263 371451032 /nfs/dbraw/zinc/45/10/32/371451032.db2.gz PCCYNQCYUDIZPC-FXUDXRNXSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000252513263 371451038 /nfs/dbraw/zinc/45/10/38/371451038.db2.gz PCCYNQCYUDIZPC-FXUDXRNXSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000252513265 371451962 /nfs/dbraw/zinc/45/19/62/371451962.db2.gz PCCYNQCYUDIZPC-UGUYLWEFSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000252513265 371451968 /nfs/dbraw/zinc/45/19/68/371451968.db2.gz PCCYNQCYUDIZPC-UGUYLWEFSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000252546568 371454629 /nfs/dbraw/zinc/45/46/29/371454629.db2.gz KQKHNNNLTAXXRO-QXSJWSMHSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000252546568 371454635 /nfs/dbraw/zinc/45/46/35/371454635.db2.gz KQKHNNNLTAXXRO-QXSJWSMHSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@@H+]1C[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H](C)C1 ZINC000359517710 371466679 /nfs/dbraw/zinc/46/66/79/371466679.db2.gz OSGVWDXLPLVDFL-JSGCOSHPSA-N 2 1 267.461 2.225 20 0 CEADMP CCN1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H](C)C1 ZINC000359517710 371466681 /nfs/dbraw/zinc/46/66/81/371466681.db2.gz OSGVWDXLPLVDFL-JSGCOSHPSA-N 2 1 267.461 2.225 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000252711047 371471021 /nfs/dbraw/zinc/47/10/21/371471021.db2.gz IJOMJBMTGKDSQX-IIAWOOMASA-N 2 1 274.408 2.483 20 0 CEADMP Cc1nc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c2n1CCCC2 ZINC000360062330 371501127 /nfs/dbraw/zinc/50/11/27/371501127.db2.gz VKSJZBCUMLNKLR-KCQAQPDRSA-N 2 1 290.455 2.346 20 0 CEADMP COc1ccc(OC)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000253185338 371502150 /nfs/dbraw/zinc/50/21/50/371502150.db2.gz ICOGKTLVZAPZHC-GXTWGEPZSA-N 2 1 278.396 2.121 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000253185338 371502154 /nfs/dbraw/zinc/50/21/54/371502154.db2.gz ICOGKTLVZAPZHC-GXTWGEPZSA-N 2 1 278.396 2.121 20 0 CEADMP CC[N@@H+]1[C@H](C)CN(CCc2ccncc2C)C[C@@H]1C ZINC000639741492 371527061 /nfs/dbraw/zinc/52/70/61/371527061.db2.gz BAPKSJPODNOMNY-GASCZTMLSA-N 2 1 261.413 2.347 20 0 CEADMP C[N@H+]1CCN(CC[NH+]2CCCCC2)C[C@@H]1C(C)(C)C ZINC000639746429 371535913 /nfs/dbraw/zinc/53/59/13/371535913.db2.gz GQCBSIZRIZVXGR-OAHLLOKOSA-N 2 1 267.461 2.134 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(CO)ccc3F)C2)CC1 ZINC000639756119 371545986 /nfs/dbraw/zinc/54/59/86/371545986.db2.gz QKMPWEDGKQZNSB-UHFFFAOYSA-N 2 1 292.398 2.236 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1C ZINC000639762151 371550706 /nfs/dbraw/zinc/55/07/06/371550706.db2.gz HAXCIFYJBHNFJR-KRWDZBQOSA-N 2 1 276.424 2.192 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1C ZINC000639762151 371550708 /nfs/dbraw/zinc/55/07/08/371550708.db2.gz HAXCIFYJBHNFJR-KRWDZBQOSA-N 2 1 276.424 2.192 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000360943214 371554472 /nfs/dbraw/zinc/55/44/72/371554472.db2.gz SEPJNQRLCQHDNN-XJKSGUPXSA-N 2 1 289.423 2.300 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000360943214 371554474 /nfs/dbraw/zinc/55/44/74/371554474.db2.gz SEPJNQRLCQHDNN-XJKSGUPXSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000639685895 371495027 /nfs/dbraw/zinc/49/50/27/371495027.db2.gz XCWGQIMCCPJXSY-UHFFFAOYSA-N 2 1 282.391 2.497 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCCC(=O)OC)CC1 ZINC000361021807 371604854 /nfs/dbraw/zinc/60/48/54/371604854.db2.gz YAQZSEYMRFVKEK-UHFFFAOYSA-N 2 1 284.444 2.384 20 0 CEADMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000261596651 371670187 /nfs/dbraw/zinc/67/01/87/371670187.db2.gz LXAFZDSIELDGBK-GJZGRUSLSA-N 2 1 290.407 2.148 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261599304 371671484 /nfs/dbraw/zinc/67/14/84/371671484.db2.gz PLUWKFKYIRRZSD-HUUCEWRRSA-N 2 1 260.381 2.127 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261599304 371671492 /nfs/dbraw/zinc/67/14/92/371671492.db2.gz PLUWKFKYIRRZSD-HUUCEWRRSA-N 2 1 260.381 2.127 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000261559917 371647038 /nfs/dbraw/zinc/64/70/38/371647038.db2.gz ZMSSJRMDLLLAJY-MRXNPFEDSA-N 2 1 255.365 2.406 20 0 CEADMP c1ccc(SCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261566982 371652281 /nfs/dbraw/zinc/65/22/81/371652281.db2.gz ILMMDRHTHCPLQB-ZFWWWQNUSA-N 2 1 262.422 2.463 20 0 CEADMP c1ccc(SCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261566982 371652285 /nfs/dbraw/zinc/65/22/85/371652285.db2.gz ILMMDRHTHCPLQB-ZFWWWQNUSA-N 2 1 262.422 2.463 20 0 CEADMP Clc1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261577550 371659278 /nfs/dbraw/zinc/65/92/78/371659278.db2.gz CVNIVWOCOJDEAP-DOMZBBRYSA-N 2 1 280.799 2.403 20 0 CEADMP Clc1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261577550 371659280 /nfs/dbraw/zinc/65/92/80/371659280.db2.gz CVNIVWOCOJDEAP-DOMZBBRYSA-N 2 1 280.799 2.403 20 0 CEADMP CCOCc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1OC ZINC000261739348 371715068 /nfs/dbraw/zinc/71/50/68/371715068.db2.gz PAZMEWNQSACBCI-QGZVFWFLSA-N 2 1 292.423 2.402 20 0 CEADMP CCOCc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1OC ZINC000261739348 371715075 /nfs/dbraw/zinc/71/50/75/371715075.db2.gz PAZMEWNQSACBCI-QGZVFWFLSA-N 2 1 292.423 2.402 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(N)c2)C1 ZINC000261737474 371716616 /nfs/dbraw/zinc/71/66/16/371716616.db2.gz UEDZKGQCCNMBOJ-INIZCTEOSA-N 2 1 273.424 2.433 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc(N)c2)C1 ZINC000261737474 371716620 /nfs/dbraw/zinc/71/66/20/371716620.db2.gz UEDZKGQCCNMBOJ-INIZCTEOSA-N 2 1 273.424 2.433 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261737474 371716628 /nfs/dbraw/zinc/71/66/28/371716628.db2.gz UEDZKGQCCNMBOJ-INIZCTEOSA-N 2 1 273.424 2.433 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261811052 371739707 /nfs/dbraw/zinc/73/97/07/371739707.db2.gz WWQAVEROBIIADG-RBSFLKMASA-N 2 1 254.418 2.252 20 0 CEADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000361220962 371723822 /nfs/dbraw/zinc/72/38/22/371723822.db2.gz PKZRXGNLNRGDQC-IKGGRYGDSA-N 2 1 276.424 2.143 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC000640015787 371736377 /nfs/dbraw/zinc/73/63/77/371736377.db2.gz NUZXZBPMLQLVBG-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1F ZINC000361156801 371687548 /nfs/dbraw/zinc/68/75/48/371687548.db2.gz TZPPTYNQFDEHIE-SWLSCSKDSA-N 2 1 280.387 2.307 20 0 CEADMP Nc1cccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000261646349 371690003 /nfs/dbraw/zinc/69/00/03/371690003.db2.gz HCGGWODOXVISCV-CYBMUJFWSA-N 2 1 256.353 2.372 20 0 CEADMP CCOc1ccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261649913 371692752 /nfs/dbraw/zinc/69/27/52/371692752.db2.gz JOPWSELYKYKCKA-CABCVRRESA-N 2 1 290.407 2.005 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261649913 371692754 /nfs/dbraw/zinc/69/27/54/371692754.db2.gz JOPWSELYKYKCKA-CABCVRRESA-N 2 1 290.407 2.005 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261989838 371792928 /nfs/dbraw/zinc/79/29/28/371792928.db2.gz SEYMRFDADMETDG-LSDHHAIUSA-N 2 1 284.407 2.350 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261989838 371792932 /nfs/dbraw/zinc/79/29/32/371792932.db2.gz SEYMRFDADMETDG-LSDHHAIUSA-N 2 1 284.407 2.350 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000261971847 371785863 /nfs/dbraw/zinc/78/58/63/371785863.db2.gz QJADXDJPKYOQSP-SNVBAGLBSA-N 2 1 251.399 2.062 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000261971847 371785866 /nfs/dbraw/zinc/78/58/66/371785866.db2.gz QJADXDJPKYOQSP-SNVBAGLBSA-N 2 1 251.399 2.062 20 0 CEADMP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261975334 371788360 /nfs/dbraw/zinc/78/83/60/371788360.db2.gz ISAKUHCBFVPRHQ-VWYCJHECSA-N 2 1 250.308 2.259 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261982268 371789444 /nfs/dbraw/zinc/78/94/44/371789444.db2.gz RLBMBPZMIJYITI-CWRNSKLLSA-N 2 1 276.428 2.332 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000262153158 371830120 /nfs/dbraw/zinc/83/01/20/371830120.db2.gz RYNZYYNPOQSTRV-ZBFHGGJFSA-N 2 1 283.460 2.275 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000261997017 371794744 /nfs/dbraw/zinc/79/47/44/371794744.db2.gz SYAZDZWUKORANZ-KOLCDFICSA-N 2 1 251.399 2.190 20 0 CEADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262033596 371806739 /nfs/dbraw/zinc/80/67/39/371806739.db2.gz OIMKVKGSUGJBJE-KRWDZBQOSA-N 2 1 283.375 2.126 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262046621 371810255 /nfs/dbraw/zinc/81/02/55/371810255.db2.gz ZBJXXDZQORCMHR-HUUCEWRRSA-N 2 1 284.407 2.432 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262046621 371810264 /nfs/dbraw/zinc/81/02/64/371810264.db2.gz ZBJXXDZQORCMHR-HUUCEWRRSA-N 2 1 284.407 2.432 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000640099665 371812372 /nfs/dbraw/zinc/81/23/72/371812372.db2.gz IJCPKULRWKZETN-PMPSAXMXSA-N 2 1 277.412 2.207 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000640099665 371812380 /nfs/dbraw/zinc/81/23/80/371812380.db2.gz IJCPKULRWKZETN-PMPSAXMXSA-N 2 1 277.412 2.207 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000262050312 371813434 /nfs/dbraw/zinc/81/34/34/371813434.db2.gz ZOLDLJSTBYZNFJ-GHMZBOCLSA-N 2 1 276.409 2.307 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C2CCC2)CC1 ZINC000640106515 371819152 /nfs/dbraw/zinc/81/91/52/371819152.db2.gz IBCREZCRCLTKTE-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000640106515 371819158 /nfs/dbraw/zinc/81/91/58/371819158.db2.gz IBCREZCRCLTKTE-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000640106515 371819163 /nfs/dbraw/zinc/81/91/63/371819163.db2.gz IBCREZCRCLTKTE-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1cnc(N)s1 ZINC000262079573 371820034 /nfs/dbraw/zinc/82/00/34/371820034.db2.gz SWRDBLWJVAEZFD-LLVKDONJSA-N 2 1 268.430 2.032 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(-c4ccccc4)no3)C[C@@H]21 ZINC000262295932 371847786 /nfs/dbraw/zinc/84/77/86/371847786.db2.gz NWJYYLJHJXAWKO-QLFBSQMISA-N 2 1 298.390 2.296 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4ccccc4)no3)C[C@@H]21 ZINC000262295932 371847795 /nfs/dbraw/zinc/84/77/95/371847795.db2.gz NWJYYLJHJXAWKO-QLFBSQMISA-N 2 1 298.390 2.296 20 0 CEADMP CC[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@]2(CCOC2)O1 ZINC000361509795 371886844 /nfs/dbraw/zinc/88/68/44/371886844.db2.gz XAMFMKIBXFHJBU-GVDBMIGSSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@]2(CCOC2)O1 ZINC000361509795 371886853 /nfs/dbraw/zinc/88/68/53/371886853.db2.gz XAMFMKIBXFHJBU-GVDBMIGSSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@@]2(CCOC2)O1 ZINC000361509795 371886858 /nfs/dbraw/zinc/88/68/58/371886858.db2.gz XAMFMKIBXFHJBU-GVDBMIGSSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@@]2(CCOC2)O1 ZINC000361509795 371886866 /nfs/dbraw/zinc/88/68/66/371886866.db2.gz XAMFMKIBXFHJBU-GVDBMIGSSA-N 2 1 296.455 2.131 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000262193279 371835956 /nfs/dbraw/zinc/83/59/56/371835956.db2.gz YZZLYXRWTBZXFJ-CABCVRRESA-N 2 1 262.397 2.351 20 0 CEADMP CC(C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361578912 371942749 /nfs/dbraw/zinc/94/27/49/371942749.db2.gz ASQNGNZHFRGVAM-WBVHZDCISA-N 2 1 276.424 2.258 20 0 CEADMP CC(C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361578912 371942758 /nfs/dbraw/zinc/94/27/58/371942758.db2.gz ASQNGNZHFRGVAM-WBVHZDCISA-N 2 1 276.424 2.258 20 0 CEADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC(C)(C)C ZINC000361526944 371898725 /nfs/dbraw/zinc/89/87/25/371898725.db2.gz DODHLEXVRPRCQV-UHFFFAOYSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H](CNC(=O)CCC1CC[NH2+]CC1)[N@H+]1CCCC[C@@H]1C ZINC000262737805 371904780 /nfs/dbraw/zinc/90/47/80/371904780.db2.gz CJAMYFUZWKMKAG-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361578909 371943317 /nfs/dbraw/zinc/94/33/17/371943317.db2.gz ASQNGNZHFRGVAM-DOTOQJQBSA-N 2 1 276.424 2.258 20 0 CEADMP CC(C)[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361578909 371943330 /nfs/dbraw/zinc/94/33/30/371943330.db2.gz ASQNGNZHFRGVAM-DOTOQJQBSA-N 2 1 276.424 2.258 20 0 CEADMP CC(C)[C@@H](C)NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532859 372022154 /nfs/dbraw/zinc/02/21/54/372022154.db2.gz XKTKLHMQPKJGMF-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)CC(F)(F)F ZINC000640534081 372024598 /nfs/dbraw/zinc/02/45/98/372024598.db2.gz KYEFVKTVARQBLK-ZDUSSCGKSA-N 2 1 296.377 2.498 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1Cn1cccn1 ZINC000361954873 372143289 /nfs/dbraw/zinc/14/32/89/372143289.db2.gz HWKGVFSLQLOKDB-HOTGVXAUSA-N 2 1 276.428 2.222 20 0 CEADMP COCCC[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362107075 372225268 /nfs/dbraw/zinc/22/52/68/372225268.db2.gz SQWUNXROKOWUBE-CQSZACIVSA-N 2 1 266.429 2.219 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268730511 372197742 /nfs/dbraw/zinc/19/77/42/372197742.db2.gz STRJSNHBWLWQBK-DJIMGWMZSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268730511 372197750 /nfs/dbraw/zinc/19/77/50/372197750.db2.gz STRJSNHBWLWQBK-DJIMGWMZSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cnn(C)c1 ZINC000268837567 372248343 /nfs/dbraw/zinc/24/83/43/372248343.db2.gz GXMZBRPDRZBICV-CQSZACIVSA-N 2 1 261.373 2.056 20 0 CEADMP CC[NH+]1CCC([NH2+]C[C@](C)(O)c2cc(C)oc2C)CC1 ZINC000268916143 372285494 /nfs/dbraw/zinc/28/54/94/372285494.db2.gz SKOLKPQPGICEIB-INIZCTEOSA-N 2 1 280.412 2.178 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000362468009 372374280 /nfs/dbraw/zinc/37/42/80/372374280.db2.gz NRZYWOJNBKUIRF-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)[C@@H]([NH3+])c1ccccc1 ZINC000269263064 372399319 /nfs/dbraw/zinc/39/93/19/372399319.db2.gz NYDZRALUXOMPTE-MLGOLLRUSA-N 2 1 298.390 2.422 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000362942690 372583675 /nfs/dbraw/zinc/58/36/75/372583675.db2.gz QVNNPCGXQIEMDB-QGZVFWFLSA-N 2 1 279.472 2.279 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641700659 372635088 /nfs/dbraw/zinc/63/50/88/372635088.db2.gz IUTIBVIJUQTBHJ-UHFFFAOYSA-N 2 1 276.384 2.090 20 0 CEADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC[C@@H]1CCC[NH+]1C ZINC000363459322 372638271 /nfs/dbraw/zinc/63/82/71/372638271.db2.gz KCYZQNKBQREGIQ-IXDOHACOSA-N 2 1 279.472 2.419 20 0 CEADMP CC[C@@H]1C[NH+]2CCCC[C@@H]2CN1CC[C@@H]1CCC[N@@H+]1C ZINC000363459322 372638276 /nfs/dbraw/zinc/63/82/76/372638276.db2.gz KCYZQNKBQREGIQ-IXDOHACOSA-N 2 1 279.472 2.419 20 0 CEADMP CC[C@@H]1C[NH+]2CCCC[C@@H]2CN1CC[C@@H]1CCC[N@H+]1C ZINC000363459322 372638279 /nfs/dbraw/zinc/63/82/79/372638279.db2.gz KCYZQNKBQREGIQ-IXDOHACOSA-N 2 1 279.472 2.419 20 0 CEADMP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1CCC[NH+]1CCCC1 ZINC000364060627 372657096 /nfs/dbraw/zinc/65/70/96/372657096.db2.gz WREIHRDVLVEOOP-HOTGVXAUSA-N 2 1 265.445 2.031 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641761128 372698154 /nfs/dbraw/zinc/69/81/54/372698154.db2.gz ODFQCVCGVOVZDG-GFCCVEGCSA-N 2 1 288.395 2.090 20 0 CEADMP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353387731 220057512 /nfs/dbraw/zinc/05/75/12/220057512.db2.gz OVWJDCYAWDGZFL-XBVQOTNRSA-N 2 1 290.455 2.290 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353387731 220057514 /nfs/dbraw/zinc/05/75/14/220057514.db2.gz OVWJDCYAWDGZFL-XBVQOTNRSA-N 3 1 290.455 2.290 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353387731 220057516 /nfs/dbraw/zinc/05/75/16/220057516.db2.gz OVWJDCYAWDGZFL-XBVQOTNRSA-N 3 1 290.455 2.290 20 0 CEADMP C[C@@H]1[C@H](NCc2ccncc2N)CC[N@@H+]1Cc1ccccc1 ZINC000641754798 372689454 /nfs/dbraw/zinc/68/94/54/372689454.db2.gz TYKGRLBMZCSXGL-RDTXWAMCSA-N 2 1 296.418 2.416 20 0 CEADMP C[C@@H]1[C@H](NCc2ccncc2N)CC[N@H+]1Cc1ccccc1 ZINC000641754798 372689456 /nfs/dbraw/zinc/68/94/56/372689456.db2.gz TYKGRLBMZCSXGL-RDTXWAMCSA-N 2 1 296.418 2.416 20 0 CEADMP CC[N@H+](C)C[C@@H]1CCN(Cc2cc(OC)cc(C)[nH+]2)C1 ZINC000270243115 372715028 /nfs/dbraw/zinc/71/50/28/372715028.db2.gz HXVACSKQGMNQCG-AWEZNQCLSA-N 2 1 277.412 2.172 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(OC)cc(C)[nH+]2)C1 ZINC000270243115 372715032 /nfs/dbraw/zinc/71/50/32/372715032.db2.gz HXVACSKQGMNQCG-AWEZNQCLSA-N 2 1 277.412 2.172 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000641802760 372745405 /nfs/dbraw/zinc/74/54/05/372745405.db2.gz OMIXHPFCBSXTDF-NEPJUHHUSA-N 2 1 299.777 2.133 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)o1 ZINC000641796656 372735241 /nfs/dbraw/zinc/73/52/41/372735241.db2.gz GMNBXIFJOKBZKG-ZYHUDNBSSA-N 2 1 251.374 2.105 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)o1 ZINC000641796656 372735251 /nfs/dbraw/zinc/73/52/51/372735251.db2.gz GMNBXIFJOKBZKG-ZYHUDNBSSA-N 2 1 251.374 2.105 20 0 CEADMP C[N@@H+](Cc1cnoc1C1CC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364672907 372789677 /nfs/dbraw/zinc/78/96/77/372789677.db2.gz NGGSXQUVCUEMFE-GFCCVEGCSA-N 2 1 286.379 2.443 20 0 CEADMP C[N@H+](Cc1cnoc1C1CC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364672907 372789687 /nfs/dbraw/zinc/78/96/87/372789687.db2.gz NGGSXQUVCUEMFE-GFCCVEGCSA-N 2 1 286.379 2.443 20 0 CEADMP CCC(F)(F)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000641824647 372766625 /nfs/dbraw/zinc/76/66/25/372766625.db2.gz WEYVQQXTCONKND-XQQFMLRXSA-N 2 1 276.371 2.250 20 0 CEADMP CCC(F)(F)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000641824647 372766633 /nfs/dbraw/zinc/76/66/33/372766633.db2.gz WEYVQQXTCONKND-XQQFMLRXSA-N 2 1 276.371 2.250 20 0 CEADMP CCC(F)(F)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000641824645 372766651 /nfs/dbraw/zinc/76/66/51/372766651.db2.gz WEYVQQXTCONKND-AVGNSLFASA-N 2 1 276.371 2.250 20 0 CEADMP CCC(F)(F)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000641824645 372766659 /nfs/dbraw/zinc/76/66/59/372766659.db2.gz WEYVQQXTCONKND-AVGNSLFASA-N 2 1 276.371 2.250 20 0 CEADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cn1 ZINC000353444987 220088979 /nfs/dbraw/zinc/08/89/79/220088979.db2.gz VXAPBAIJRVIOJW-OAGGEKHMSA-N 2 1 259.397 2.352 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cs1 ZINC000353455041 220093659 /nfs/dbraw/zinc/09/36/59/220093659.db2.gz NRPUSCJWPZQDLX-RRFJBIMHSA-N 2 1 279.453 2.456 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000270592106 372858439 /nfs/dbraw/zinc/85/84/39/372858439.db2.gz FGXDDAKAJBNRMX-INIZCTEOSA-N 2 1 273.380 2.247 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000270592106 372858446 /nfs/dbraw/zinc/85/84/46/372858446.db2.gz FGXDDAKAJBNRMX-INIZCTEOSA-N 2 1 273.380 2.247 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nccs2)[C@@H]2CCC[C@@H]21 ZINC000353465969 220097537 /nfs/dbraw/zinc/09/75/37/220097537.db2.gz ZZAGIOBAQGYWCQ-SRVKXCTJSA-N 2 1 251.399 2.106 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2nccs2)[C@@H]2CCC[C@@H]21 ZINC000353465969 220097539 /nfs/dbraw/zinc/09/75/39/220097539.db2.gz ZZAGIOBAQGYWCQ-SRVKXCTJSA-N 2 1 251.399 2.106 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000353496092 220118604 /nfs/dbraw/zinc/11/86/04/220118604.db2.gz KLKJVDZORBVLIU-QAETUUGQSA-N 2 1 280.456 2.390 20 0 CEADMP Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cn2cc[nH+]c12 ZINC000333368847 205260722 /nfs/dbraw/zinc/26/07/22/205260722.db2.gz URGBADZNGNPFOG-OLZOCXBDSA-N 2 1 299.378 2.001 20 0 CEADMP CCO[C@@H]1CCC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000643057188 372936852 /nfs/dbraw/zinc/93/68/52/372936852.db2.gz WYDFXRFICQFJQZ-DOTOQJQBSA-N 2 1 292.423 2.238 20 0 CEADMP Cc1ncsc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353512467 220127967 /nfs/dbraw/zinc/12/79/67/220127967.db2.gz CUAAZLNRSLWKHP-YNEHKIRRSA-N 2 1 265.426 2.414 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@@H](NCCC[NH+](C(C)C)C(C)C)C1 ZINC000344729423 217292815 /nfs/dbraw/zinc/29/28/15/217292815.db2.gz XPLHYTVWIZRANN-CVEARBPZSA-N 2 1 269.477 2.425 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643251850 372998099 /nfs/dbraw/zinc/99/80/99/372998099.db2.gz JQQBBFZYJWDMAW-DZJNRPSUSA-N 2 1 288.435 2.258 20 0 CEADMP OC1CCC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000353521642 220133951 /nfs/dbraw/zinc/13/39/51/220133951.db2.gz RUUBIPPHVDXOJH-PCKAHOCUSA-N 2 1 266.429 2.144 20 0 CEADMP OC1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000353521642 220133954 /nfs/dbraw/zinc/13/39/54/220133954.db2.gz RUUBIPPHVDXOJH-PCKAHOCUSA-N 2 1 266.429 2.144 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccnn1C ZINC000643484235 373150815 /nfs/dbraw/zinc/15/08/15/373150815.db2.gz JXFBIRNJTWEVOB-SOUVJXGZSA-N 2 1 278.444 2.280 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000353558481 220157636 /nfs/dbraw/zinc/15/76/36/220157636.db2.gz DPMFCPYGKBAGHT-QGZVFWFLSA-N 2 1 295.471 2.099 20 0 CEADMP COc1ccc2[nH]cc(CC[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)c2c1 ZINC000643453938 373125618 /nfs/dbraw/zinc/12/56/18/373125618.db2.gz MSEAPYXTABEMEP-YVEFUNNKSA-N 2 1 287.407 2.307 20 0 CEADMP CC(C)OC1CCC([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000643475882 373143869 /nfs/dbraw/zinc/14/38/69/373143869.db2.gz VZBLVPDBSVXMND-PPWQZUPISA-N 2 1 254.418 2.310 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000353576010 220168090 /nfs/dbraw/zinc/16/80/90/220168090.db2.gz GOSFSLVOFNXJTE-LZWOXQAQSA-N 2 1 289.423 2.066 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000353576010 220168094 /nfs/dbraw/zinc/16/80/94/220168094.db2.gz GOSFSLVOFNXJTE-LZWOXQAQSA-N 2 1 289.423 2.066 20 0 CEADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000643528108 373184683 /nfs/dbraw/zinc/18/46/83/373184683.db2.gz ZPMNYJNJEDCUEI-PRHODGIISA-N 2 1 269.186 2.373 20 0 CEADMP C[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000643529650 373187915 /nfs/dbraw/zinc/18/79/15/373187915.db2.gz JHBHUOJAPAECGJ-HPBDAGMYSA-N 2 1 287.451 2.366 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000643542242 373200323 /nfs/dbraw/zinc/20/03/23/373200323.db2.gz GFSACNFSIOCGKK-SJORKVTESA-N 2 1 273.424 2.021 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cncs1 ZINC000643546117 373202927 /nfs/dbraw/zinc/20/29/27/373202927.db2.gz IRYYNKKGNXZCIU-WDEREUQCSA-N 2 1 251.399 2.468 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccnn1C ZINC000643544940 373204269 /nfs/dbraw/zinc/20/42/69/373204269.db2.gz VDXKYBXPPCIWEE-VQGSXZNQSA-N 2 1 288.439 2.224 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000643802550 373271926 /nfs/dbraw/zinc/27/19/26/373271926.db2.gz NSOZSICOSXEPFF-USXIJHARSA-N 2 1 274.408 2.418 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000643802550 373271936 /nfs/dbraw/zinc/27/19/36/373271936.db2.gz NSOZSICOSXEPFF-USXIJHARSA-N 2 1 274.408 2.418 20 0 CEADMP C=Cn1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000369195702 373356844 /nfs/dbraw/zinc/35/68/44/373356844.db2.gz BQKSRDKNKOQTIT-UHFFFAOYSA-N 2 1 274.412 2.291 20 0 CEADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000369616455 373470734 /nfs/dbraw/zinc/47/07/34/373470734.db2.gz SDRYVNYLMBNPAT-HOTGVXAUSA-N 2 1 288.439 2.298 20 0 CEADMP C[C@H](CCO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272453559 373491853 /nfs/dbraw/zinc/49/18/53/373491853.db2.gz GLDMZGZULRTWIK-HLLBOEOZSA-N 2 1 276.424 2.258 20 0 CEADMP COC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(C)o1 ZINC000573621883 299446362 /nfs/dbraw/zinc/44/63/62/299446362.db2.gz PLWQBXKLRNYABI-AWEZNQCLSA-N 2 1 277.368 2.231 20 0 CEADMP OC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000644531054 373513151 /nfs/dbraw/zinc/51/31/51/373513151.db2.gz WXVZRYBGBKIHHR-QGZVFWFLSA-N 2 1 288.435 2.403 20 0 CEADMP Cc1noc(C2CCC([NH2+]C[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000644533682 373517732 /nfs/dbraw/zinc/51/77/32/373517732.db2.gz JFRRFKDQOQUZAT-NRXISQOPSA-N 2 1 292.427 2.334 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2F)CC[N@H+]1C ZINC000644574885 373539668 /nfs/dbraw/zinc/53/96/68/373539668.db2.gz HGJZRUYINDGCNO-CHWSQXEVSA-N 2 1 293.386 2.227 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000370670238 373710404 /nfs/dbraw/zinc/71/04/04/373710404.db2.gz YODPKBJVPRSVLA-FMKPAKJESA-N 2 1 299.422 2.086 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000370670238 373710413 /nfs/dbraw/zinc/71/04/13/373710413.db2.gz YODPKBJVPRSVLA-FMKPAKJESA-N 2 1 299.422 2.086 20 0 CEADMP c1ccc2c(NC[C@@H]3C[N@H+]4CCCC[C@H]4CO3)cc[nH+]c2c1 ZINC000371283648 373831128 /nfs/dbraw/zinc/83/11/28/373831128.db2.gz LDLKPDVBWVANKB-LSDHHAIUSA-N 2 1 297.402 2.322 20 0 CEADMP Cc1[nH]c2ncnc(N(C)CC[N@@H+](C)C3CC3)c2c1C ZINC000645213532 373923782 /nfs/dbraw/zinc/92/37/82/373923782.db2.gz WKVAAMRGRIZALZ-UHFFFAOYSA-N 2 1 273.384 2.105 20 0 CEADMP Cc1cccn2cc(CN3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)nc12 ZINC000645229246 373933611 /nfs/dbraw/zinc/93/36/11/373933611.db2.gz FCKZYGUBMQWMRY-OKILXGFUSA-N 2 1 272.396 2.167 20 0 CEADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353670738 220244259 /nfs/dbraw/zinc/24/42/59/220244259.db2.gz AZAIIDZDSQGMBK-RBSFLKMASA-N 2 1 268.445 2.390 20 0 CEADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)Cc1ccsc1 ZINC000289492107 197373750 /nfs/dbraw/zinc/37/37/50/197373750.db2.gz JMCQKUATQZNJKK-XJKSGUPXSA-N 2 1 296.480 2.456 20 0 CEADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)Cc1ccsc1 ZINC000289492107 197373752 /nfs/dbraw/zinc/37/37/52/197373752.db2.gz JMCQKUATQZNJKK-XJKSGUPXSA-N 2 1 296.480 2.456 20 0 CEADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H](C)Cc1ccsc1 ZINC000289492107 197373753 /nfs/dbraw/zinc/37/37/53/197373753.db2.gz JMCQKUATQZNJKK-XJKSGUPXSA-N 2 1 296.480 2.456 20 0 CEADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](C)Cc1ccsc1 ZINC000289492107 197373755 /nfs/dbraw/zinc/37/37/55/197373755.db2.gz JMCQKUATQZNJKK-XJKSGUPXSA-N 2 1 296.480 2.456 20 0 CEADMP CCC[C@@H]1CN(c2cc[nH+]c(C)c2)CC[N@H+]1CCOC ZINC000274912149 374092046 /nfs/dbraw/zinc/09/20/46/374092046.db2.gz NJVQOMPJTCPHCR-MRXNPFEDSA-N 2 1 277.412 2.327 20 0 CEADMP C[C@H](CO)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000684004947 541906566 /nfs/dbraw/zinc/90/65/66/541906566.db2.gz ICKLEVGTLDEATP-ZDUSSCGKSA-N 2 1 277.412 2.027 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)OCCO2 ZINC000275314120 374214443 /nfs/dbraw/zinc/21/44/43/374214443.db2.gz RTDOJMMHFHDSBZ-ZFWWWQNUSA-N 2 1 290.407 2.230 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)OCCO2 ZINC000275314120 374214445 /nfs/dbraw/zinc/21/44/45/374214445.db2.gz RTDOJMMHFHDSBZ-ZFWWWQNUSA-N 2 1 290.407 2.230 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000275314120 374214449 /nfs/dbraw/zinc/21/44/49/374214449.db2.gz RTDOJMMHFHDSBZ-ZFWWWQNUSA-N 2 1 290.407 2.230 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000275314120 374214453 /nfs/dbraw/zinc/21/44/53/374214453.db2.gz RTDOJMMHFHDSBZ-ZFWWWQNUSA-N 2 1 290.407 2.230 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000645948945 374307378 /nfs/dbraw/zinc/30/73/78/374307378.db2.gz LKLYWNITIVUSRN-CVEARBPZSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000645948945 374307385 /nfs/dbraw/zinc/30/73/85/374307385.db2.gz LKLYWNITIVUSRN-CVEARBPZSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1n[nH]cc1C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374282322 374530915 /nfs/dbraw/zinc/53/09/15/374530915.db2.gz GGGUPFQIKBUJCS-OAHLLOKOSA-N 2 1 288.439 2.414 20 0 CEADMP CC[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)[NH+]1CCCC1 ZINC000374297393 374535527 /nfs/dbraw/zinc/53/55/27/374535527.db2.gz QJMBCLWIZYKYAL-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000374460702 374576731 /nfs/dbraw/zinc/57/67/31/374576731.db2.gz HUSULBWBWWIPCJ-ZDUSSCGKSA-N 2 1 292.427 2.297 20 0 CEADMP COc1cccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000277979019 374699287 /nfs/dbraw/zinc/69/92/87/374699287.db2.gz TYCFSTUHFHWDPO-HNNXBMFYSA-N 2 1 292.423 2.286 20 0 CEADMP COC(=O)c1coc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000278155089 374736598 /nfs/dbraw/zinc/73/65/98/374736598.db2.gz ANDGUYDJEROTME-NSHDSACASA-N 2 1 291.351 2.312 20 0 CEADMP Cc1cccc(NCCC[N@@H+]2CCCO[C@H](C)C2)[nH+]1 ZINC000278172831 374740793 /nfs/dbraw/zinc/74/07/93/374740793.db2.gz PCRSRJMLFQHEDB-CQSZACIVSA-N 2 1 263.385 2.303 20 0 CEADMP Cc1cccc(NCCC[N@H+]2CCCO[C@H](C)C2)[nH+]1 ZINC000278172831 374740806 /nfs/dbraw/zinc/74/08/06/374740806.db2.gz PCRSRJMLFQHEDB-CQSZACIVSA-N 2 1 263.385 2.303 20 0 CEADMP CCOC1CC(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000377124692 374797009 /nfs/dbraw/zinc/79/70/09/374797009.db2.gz GKYMWWGHVXUCJX-GLUHHBOGSA-N 2 1 278.440 2.218 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000278414381 374809161 /nfs/dbraw/zinc/80/91/61/374809161.db2.gz HZEURPHSQDHGEO-APHBMKBZSA-N 2 1 280.387 2.179 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377269100 374827224 /nfs/dbraw/zinc/82/72/24/374827224.db2.gz WIBIZGQJEVZBON-HNNXBMFYSA-N 2 1 256.434 2.465 20 0 CEADMP Nc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccn1 ZINC000278348137 374787678 /nfs/dbraw/zinc/78/76/78/374787678.db2.gz GGZQYUYLBPAMPX-OAHLLOKOSA-N 2 1 274.412 2.114 20 0 CEADMP Nc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccn1 ZINC000278348137 374787683 /nfs/dbraw/zinc/78/76/83/374787683.db2.gz GGZQYUYLBPAMPX-OAHLLOKOSA-N 2 1 274.412 2.114 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)o1 ZINC000377691266 374924958 /nfs/dbraw/zinc/92/49/58/374924958.db2.gz HUBNRIQGAGOJAZ-INIZCTEOSA-N 2 1 291.439 2.190 20 0 CEADMP Cc1ccc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)o1 ZINC000377691266 374924966 /nfs/dbraw/zinc/92/49/66/374924966.db2.gz HUBNRIQGAGOJAZ-INIZCTEOSA-N 2 1 291.439 2.190 20 0 CEADMP CC(C)[C@@]1(CO)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000377732634 374937407 /nfs/dbraw/zinc/93/74/07/374937407.db2.gz NPDYYVNJQXWEPW-INIZCTEOSA-N 2 1 268.445 2.203 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C12CCC2 ZINC000378456518 375105397 /nfs/dbraw/zinc/10/53/97/375105397.db2.gz OOKYRMIQDMWSFU-LSDHHAIUSA-N 2 1 264.413 2.186 20 0 CEADMP C[C@H](C[NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658514 375156865 /nfs/dbraw/zinc/15/68/65/375156865.db2.gz WNVIQEMDHFBEEN-VYDXJSESSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379658514 375156871 /nfs/dbraw/zinc/15/68/71/375156871.db2.gz WNVIQEMDHFBEEN-VYDXJSESSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658514 375156877 /nfs/dbraw/zinc/15/68/77/375156877.db2.gz WNVIQEMDHFBEEN-VYDXJSESSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658514 375156881 /nfs/dbraw/zinc/15/68/81/375156881.db2.gz WNVIQEMDHFBEEN-VYDXJSESSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H]([NH2+][C@H]1CCC[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382407930 375184392 /nfs/dbraw/zinc/18/43/92/375184392.db2.gz SOWXVVUNALTZBA-DKIMLUQUSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000389870992 375307684 /nfs/dbraw/zinc/30/76/84/375307684.db2.gz PWRKLCZAQPVXMH-MXSMSXNCSA-N 2 1 287.451 2.095 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000389870992 375307691 /nfs/dbraw/zinc/30/76/91/375307691.db2.gz PWRKLCZAQPVXMH-MXSMSXNCSA-N 2 1 287.451 2.095 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1OC ZINC000386656825 375263563 /nfs/dbraw/zinc/26/35/63/375263563.db2.gz ZNHIIBJDPFAARH-OKILXGFUSA-N 2 1 290.407 2.135 20 0 CEADMP Cn1c[nH+]cc1CCCN1CCC([NH+]2CCCCC2)CC1 ZINC000573979955 299466928 /nfs/dbraw/zinc/46/69/28/299466928.db2.gz VEDKFZKIFYHTNL-UHFFFAOYSA-N 2 1 290.455 2.303 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414185148 375800426 /nfs/dbraw/zinc/80/04/26/375800426.db2.gz OGWYNHNHVWOGAE-ZFWWWQNUSA-N 2 1 276.428 2.119 20 0 CEADMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)nn1C ZINC000414280583 375819015 /nfs/dbraw/zinc/81/90/15/375819015.db2.gz DKNRCLDJVUBNTD-AWEZNQCLSA-N 2 1 278.444 2.473 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787163 375969755 /nfs/dbraw/zinc/96/97/55/375969755.db2.gz VCPKHJDWHRMSTH-LSDHHAIUSA-N 2 1 276.428 2.286 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000414687499 375918343 /nfs/dbraw/zinc/91/83/43/375918343.db2.gz BZMYLLZOQUHQHO-GOEBONIOSA-N 2 1 297.487 2.233 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414695312 375922273 /nfs/dbraw/zinc/92/22/73/375922273.db2.gz FHLZNSSAJUOBGP-ZFWWWQNUSA-N 2 1 290.407 2.293 20 0 CEADMP [NH3+]CCC[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000414697169 375924923 /nfs/dbraw/zinc/92/49/23/375924923.db2.gz BQCQWVJLMAUFBM-ZDUSSCGKSA-N 2 1 254.761 2.142 20 0 CEADMP CC(C)(C)C[C@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695411 375925025 /nfs/dbraw/zinc/92/50/25/375925025.db2.gz UPZAUYYJYKXQDL-LSDHHAIUSA-N 2 1 295.471 2.084 20 0 CEADMP CC[N@@H+](CCc1nccs1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414714044 375936405 /nfs/dbraw/zinc/93/64/05/375936405.db2.gz WWGJKFIGVNYQDJ-OLZOCXBDSA-N 2 1 267.442 2.396 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CC[NH2+]1 ZINC000414734246 375943131 /nfs/dbraw/zinc/94/31/31/375943131.db2.gz DJFVULNLALUSRW-DJIMGWMZSA-N 3 1 279.472 2.038 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)CC[NH2+]1 ZINC000414734246 375943139 /nfs/dbraw/zinc/94/31/39/375943139.db2.gz DJFVULNLALUSRW-DJIMGWMZSA-N 3 1 279.472 2.038 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC[NH2+]1 ZINC000414734246 375943143 /nfs/dbraw/zinc/94/31/43/375943143.db2.gz DJFVULNLALUSRW-DJIMGWMZSA-N 3 1 279.472 2.038 20 0 CEADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414816470 376001769 /nfs/dbraw/zinc/00/17/69/376001769.db2.gz XCWSMJUFAACWCY-CABCVRRESA-N 2 1 292.423 2.352 20 0 CEADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1C ZINC000414820364 376006066 /nfs/dbraw/zinc/00/60/66/376006066.db2.gz AOMORSSLMKDOCU-HIFRSBDPSA-N 2 1 289.423 2.362 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000414921884 376010756 /nfs/dbraw/zinc/01/07/56/376010756.db2.gz FDZZCDLMOSRILS-ZFWWWQNUSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414919032 376011902 /nfs/dbraw/zinc/01/19/02/376011902.db2.gz VUHDPMJRCAFBBM-OAGGEKHMSA-N 3 1 267.461 2.277 20 0 CEADMP Cn1cnc2cc(C[NH2+][C@@H](C[NH3+])C3CCCC3)ccc21 ZINC000415068568 376019405 /nfs/dbraw/zinc/01/94/05/376019405.db2.gz RHRDBAXINDHSHG-HNNXBMFYSA-N 2 1 272.396 2.180 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000414802272 375986838 /nfs/dbraw/zinc/98/68/38/375986838.db2.gz VKQHVWUEVYFOFQ-AWEZNQCLSA-N 2 1 276.359 2.289 20 0 CEADMP Cc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000289565818 376405579 /nfs/dbraw/zinc/40/55/79/376405579.db2.gz ZDYTUAHHDWEIAN-UHFFFAOYSA-N 2 1 289.467 2.453 20 0 CEADMP C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OCC1CCC1 ZINC000419205187 376392862 /nfs/dbraw/zinc/39/28/62/376392862.db2.gz KQGTUNKREYROAN-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OCC1CCC1 ZINC000419205187 376392871 /nfs/dbraw/zinc/39/28/71/376392871.db2.gz KQGTUNKREYROAN-INIZCTEOSA-N 2 1 266.429 2.221 20 0 CEADMP C[C@@H](NCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309684565 376600314 /nfs/dbraw/zinc/60/03/14/376600314.db2.gz AMFLOPQNWQRCRW-WBVHZDCISA-N 2 1 275.440 2.048 20 0 CEADMP C[C@@H]([NH2+]CCN(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309684565 376600323 /nfs/dbraw/zinc/60/03/23/376600323.db2.gz AMFLOPQNWQRCRW-WBVHZDCISA-N 2 1 275.440 2.048 20 0 CEADMP C[C@@H]([NH2+]CCN(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309684565 376600330 /nfs/dbraw/zinc/60/03/30/376600330.db2.gz AMFLOPQNWQRCRW-WBVHZDCISA-N 2 1 275.440 2.048 20 0 CEADMP COC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCCC1 ZINC000311148903 376653963 /nfs/dbraw/zinc/65/39/63/376653963.db2.gz IDYRHDLWOFQZAR-HZSPNIEDSA-N 2 1 254.418 2.264 20 0 CEADMP COC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCCC1 ZINC000311148908 376654571 /nfs/dbraw/zinc/65/45/71/376654571.db2.gz IDYRHDLWOFQZAR-MGPQQGTHSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000311219981 376658424 /nfs/dbraw/zinc/65/84/24/376658424.db2.gz NTDJRLXDZXPAJA-AWEZNQCLSA-N 3 1 255.450 2.358 20 0 CEADMP Cc1ccncc1CCC[N@H+](C)CCc1cnccn1 ZINC000290312213 376727811 /nfs/dbraw/zinc/72/78/11/376727811.db2.gz IVEOKDWENHCHTQ-UHFFFAOYSA-N 2 1 270.380 2.287 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1ccccc1SC ZINC000420384165 376683030 /nfs/dbraw/zinc/68/30/30/376683030.db2.gz DBPWBSJIHXOYIG-UHFFFAOYSA-N 2 1 295.452 2.278 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H](O)c2ccccc2)C1 ZINC000290271020 376713000 /nfs/dbraw/zinc/71/30/00/376713000.db2.gz LKWQFGVALVEGDI-RDJZCZTQSA-N 2 1 276.424 2.384 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnn2ccccc12 ZINC000290343629 376741262 /nfs/dbraw/zinc/74/12/62/376741262.db2.gz FPGUFLYBFGAXAM-UHFFFAOYSA-N 2 1 283.379 2.361 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnn2ccccc12 ZINC000290343629 376741265 /nfs/dbraw/zinc/74/12/65/376741265.db2.gz FPGUFLYBFGAXAM-UHFFFAOYSA-N 2 1 283.379 2.361 20 0 CEADMP CCC([NH3+])(CC)CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000561216671 376801471 /nfs/dbraw/zinc/80/14/71/376801471.db2.gz IYYSVPDMTZEGJI-UHFFFAOYSA-N 2 1 298.475 2.020 20 0 CEADMP C[N@@H+](CC1(C)CCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457412 542142105 /nfs/dbraw/zinc/14/21/05/542142105.db2.gz BVDNSAWHZJBAMJ-INIZCTEOSA-N 2 1 279.472 2.277 20 0 CEADMP Cc1nccn1CCC[N@H+](C)Cc1cccc2nccn21 ZINC000290628939 376858104 /nfs/dbraw/zinc/85/81/04/376858104.db2.gz XVAVWDAUNFXNFI-UHFFFAOYSA-N 2 1 283.379 2.361 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc2nccn21 ZINC000290628939 376858114 /nfs/dbraw/zinc/85/81/14/376858114.db2.gz XVAVWDAUNFXNFI-UHFFFAOYSA-N 2 1 283.379 2.361 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc2nccn21 ZINC000290628939 376858122 /nfs/dbraw/zinc/85/81/22/376858122.db2.gz XVAVWDAUNFXNFI-UHFFFAOYSA-N 3 1 283.379 2.361 20 0 CEADMP COc1cccc(CCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422950049 376873452 /nfs/dbraw/zinc/87/34/52/376873452.db2.gz XDTATCRZJCWBJT-BBRMVZONSA-N 2 1 262.397 2.215 20 0 CEADMP CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422979935 376903875 /nfs/dbraw/zinc/90/38/75/376903875.db2.gz NXNCUMRKJXBRIL-RBSFLKMASA-N 2 1 256.434 2.294 20 0 CEADMP O=C(Nc1ccn2ccnc2c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000290713933 376892331 /nfs/dbraw/zinc/89/23/31/376892331.db2.gz OBPBQJBXVJJVAZ-KBPBESRZSA-N 2 1 299.378 2.083 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422995991 376912784 /nfs/dbraw/zinc/91/27/84/376912784.db2.gz KUAVTTQQDWPOMZ-BRWVUGGUSA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCC[NH3+])C1 ZINC000422998071 376914930 /nfs/dbraw/zinc/91/49/30/376914930.db2.gz PKJVBBFCDSPCJH-HUUCEWRRSA-N 3 1 255.450 2.071 20 0 CEADMP CSC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CCC1 ZINC000423084643 376977294 /nfs/dbraw/zinc/97/72/94/376977294.db2.gz IHATZZFXNIBDOQ-SNVBAGLBSA-N 2 1 251.399 2.430 20 0 CEADMP CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423039889 376943071 /nfs/dbraw/zinc/94/30/71/376943071.db2.gz RXXKZHQJSDEVAB-HBNTYKKESA-N 2 1 268.323 2.074 20 0 CEADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000423039811 376943776 /nfs/dbraw/zinc/94/37/76/376943776.db2.gz GALXLOIUJXSUTG-NVXWUHKLSA-N 2 1 289.467 2.266 20 0 CEADMP Cc1cc(NC(=O)N(C)CCC[NH+](C)C)cn2cc[nH+]c12 ZINC000562614211 376947273 /nfs/dbraw/zinc/94/72/73/376947273.db2.gz YGZWTPYBLJZLKU-UHFFFAOYSA-N 2 1 289.383 2.058 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423056036 376949861 /nfs/dbraw/zinc/94/98/61/376949861.db2.gz WTMKWSCVJCSJTN-FHERZECASA-N 3 1 267.461 2.358 20 0 CEADMP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423056912 376950527 /nfs/dbraw/zinc/95/05/27/376950527.db2.gz ZARSKBBTWPDODU-NSHDSACASA-N 2 1 264.417 2.349 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423132167 377032641 /nfs/dbraw/zinc/03/26/41/377032641.db2.gz BRSYJQMDISQING-QLFBSQMISA-N 2 1 255.450 2.085 20 0 CEADMP COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423136893 377034527 /nfs/dbraw/zinc/03/45/27/377034527.db2.gz ZRYQIKGVKFZJKQ-ARFHVFGLSA-N 2 1 298.471 2.186 20 0 CEADMP [NH3+]C[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)C1CCCC1 ZINC000562962835 377036965 /nfs/dbraw/zinc/03/69/65/377036965.db2.gz OAMPYCUZLLQSFL-CPCZMJQVSA-N 2 1 294.361 2.330 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CSc2ccccc21 ZINC000423144933 377044116 /nfs/dbraw/zinc/04/41/16/377044116.db2.gz IJMBVGRIRHOOCE-YRGRVCCFSA-N 2 1 262.422 2.464 20 0 CEADMP CSc1ccc([C@H](C[NH2+][C@H](C)C2C[NH2+]C2)N(C)C)cc1 ZINC000423145591 377044942 /nfs/dbraw/zinc/04/49/42/377044942.db2.gz LMRILESCUDGTED-WBMJQRKESA-N 2 1 293.480 2.209 20 0 CEADMP CS[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](SC)C2)C1 ZINC000562723343 376984348 /nfs/dbraw/zinc/98/43/48/376984348.db2.gz YURPHEHNULCZAT-BETUJISGSA-N 2 1 274.499 2.251 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)[C@H]1CCC[NH2+]1 ZINC000423110343 377005928 /nfs/dbraw/zinc/00/59/28/377005928.db2.gz VRSGGFNNBRKKTG-IUODEOHRSA-N 2 1 257.381 2.441 20 0 CEADMP COc1cccc(C(F)(F)C[NH2+]C2CCC(C[NH3+])CC2)n1 ZINC000423115448 377010905 /nfs/dbraw/zinc/01/09/05/377010905.db2.gz XWNPDYCEOUCGPL-UHFFFAOYSA-N 2 1 299.365 2.289 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423156306 377058498 /nfs/dbraw/zinc/05/84/98/377058498.db2.gz RYZOKNYTYWLVRO-YNEHKIRRSA-N 2 1 250.390 2.071 20 0 CEADMP Cc1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423156109 377058697 /nfs/dbraw/zinc/05/86/97/377058697.db2.gz RSPFYJDZTZDGSM-ZNMIVQPWSA-N 2 1 280.437 2.303 20 0 CEADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423157364 377059588 /nfs/dbraw/zinc/05/95/88/377059588.db2.gz AQRCRWZERNYXLM-MKBNYLNASA-N 2 1 280.387 2.353 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423208981 377124304 /nfs/dbraw/zinc/12/43/04/377124304.db2.gz FVINMWLORLWHOE-YRXWBPOGSA-N 2 1 299.462 2.381 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1cnn(C)c1 ZINC000423207646 377124358 /nfs/dbraw/zinc/12/43/58/377124358.db2.gz XYHYKQOUJSNSBM-GFCCVEGCSA-N 2 1 250.390 2.122 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)C12CCC2 ZINC000563109194 377097644 /nfs/dbraw/zinc/09/76/44/377097644.db2.gz DZWRIJFWZNJNSZ-QLFBSQMISA-N 2 1 266.429 2.408 20 0 CEADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423275308 377196853 /nfs/dbraw/zinc/19/68/53/377196853.db2.gz LOVIXNJVJAJMAT-HZPDHXFCSA-N 2 1 280.387 2.100 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(C)nc1C(F)F ZINC000291288233 377160555 /nfs/dbraw/zinc/16/05/55/377160555.db2.gz VKJYRYCSKWZYSP-UHFFFAOYSA-N 2 1 283.326 2.043 20 0 CEADMP C[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423250564 377170748 /nfs/dbraw/zinc/17/07/48/377170748.db2.gz UNBWFQNDQVYWOO-KSZLIROESA-N 2 1 287.451 2.239 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000423258287 377176222 /nfs/dbraw/zinc/17/62/22/377176222.db2.gz BFLNZMPBBADHAZ-QLFBSQMISA-N 2 1 278.444 2.409 20 0 CEADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)C(=O)OCC ZINC000563348501 377177001 /nfs/dbraw/zinc/17/70/01/377177001.db2.gz MJNRNWWZZZBTRP-ZDUSSCGKSA-N 2 1 281.400 2.016 20 0 CEADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)C(=O)OCC ZINC000563348501 377177008 /nfs/dbraw/zinc/17/70/08/377177008.db2.gz MJNRNWWZZZBTRP-ZDUSSCGKSA-N 2 1 281.400 2.016 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423261118 377178878 /nfs/dbraw/zinc/17/88/78/377178878.db2.gz JBSBWAKUJPBSCN-IAQYHMDHSA-N 2 1 264.417 2.287 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000423262913 377181908 /nfs/dbraw/zinc/18/19/08/377181908.db2.gz NRVRRCFIWRMCEW-PWSUYJOCSA-N 2 1 250.342 2.049 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1F ZINC000423281352 377209392 /nfs/dbraw/zinc/20/93/92/377209392.db2.gz UIAPDASSAYXMMG-ZANVPECISA-N 2 1 252.333 2.222 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000423284372 377213323 /nfs/dbraw/zinc/21/33/23/377213323.db2.gz YFTIVFQNRUKGBU-GHMZBOCLSA-N 2 1 254.349 2.340 20 0 CEADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(C(=O)OC)cc1 ZINC000423283841 377213365 /nfs/dbraw/zinc/21/33/65/377213365.db2.gz WJMXTGMPTSUAMY-LSDHHAIUSA-N 2 1 276.380 2.251 20 0 CEADMP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)[C@H]1CCCO1 ZINC000423286012 377215111 /nfs/dbraw/zinc/21/51/11/377215111.db2.gz ZEPSVSJRPPBKGX-UKRRQHHQSA-N 2 1 254.418 2.456 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1NC(C)=O ZINC000423287797 377216981 /nfs/dbraw/zinc/21/69/81/377216981.db2.gz OQRFFXDOKRJYGD-JTQLQIEISA-N 2 1 279.384 2.042 20 0 CEADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CC(C)(C)[NH3+] ZINC000423286995 377217483 /nfs/dbraw/zinc/21/74/83/377217483.db2.gz JULCLCKUHNFJLU-LLVKDONJSA-N 2 1 252.333 2.149 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCC4C[NH2+]C4)[C@@H]3C2)cc1 ZINC000423300526 377230822 /nfs/dbraw/zinc/23/08/22/377230822.db2.gz FDCXFLPEGJPUGV-OTWHNJEPSA-N 2 1 299.462 2.096 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4C[NH2+]C4)[C@@H]3C2)cc1 ZINC000423300526 377230826 /nfs/dbraw/zinc/23/08/26/377230826.db2.gz FDCXFLPEGJPUGV-OTWHNJEPSA-N 3 1 299.462 2.096 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4C[NH2+]C4)[C@@H]3C2)cc1 ZINC000423300526 377230829 /nfs/dbraw/zinc/23/08/29/377230829.db2.gz FDCXFLPEGJPUGV-OTWHNJEPSA-N 3 1 299.462 2.096 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1nc2c(s1)CCCC2 ZINC000423303707 377232284 /nfs/dbraw/zinc/23/22/84/377232284.db2.gz JHAWWLOEUKNUDG-VHSXEESVSA-N 2 1 253.415 2.267 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423304381 377233447 /nfs/dbraw/zinc/23/34/47/377233447.db2.gz YNQKIHHTYSEZIU-HUUCEWRRSA-N 2 1 262.397 2.487 20 0 CEADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423276286 377200413 /nfs/dbraw/zinc/20/04/13/377200413.db2.gz ODVGTODPPLKZBB-NHYWBVRUSA-N 2 1 263.385 2.279 20 0 CEADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2c(c1)OCCO2 ZINC000423277828 377201877 /nfs/dbraw/zinc/20/18/77/377201877.db2.gz OZSUICQZAHUTAZ-UONOGXRCSA-N 2 1 276.380 2.236 20 0 CEADMP CSC[C@@H](O)C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000564077662 377343057 /nfs/dbraw/zinc/34/30/57/377343057.db2.gz MPMWUKVAABWPQZ-ZBFHGGJFSA-N 2 1 296.480 2.211 20 0 CEADMP CC(C)n1cncc1CN1CCC(n2ccnc2)CC1 ZINC000425325303 377348316 /nfs/dbraw/zinc/34/83/16/377348316.db2.gz LPRPFGHCUWFSPY-UHFFFAOYSA-N 2 1 273.384 2.498 20 0 CEADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C3([NH3+])CC3)c2C1 ZINC000564733170 377442930 /nfs/dbraw/zinc/44/29/30/377442930.db2.gz VCEMBCBLDJXVFP-UHFFFAOYSA-N 2 1 287.407 2.478 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000430955749 377572732 /nfs/dbraw/zinc/57/27/32/377572732.db2.gz MYMLMTVIOIHKBE-LBPRGKRZSA-N 2 1 266.410 2.068 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000565165314 377581303 /nfs/dbraw/zinc/58/13/03/377581303.db2.gz PNHVOWDZCATPAV-WBVHZDCISA-N 2 1 276.424 2.308 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCc2ccccc21 ZINC000565165314 377581319 /nfs/dbraw/zinc/58/13/19/377581319.db2.gz PNHVOWDZCATPAV-WBVHZDCISA-N 2 1 276.424 2.308 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCc2ccccc21 ZINC000565165314 377581327 /nfs/dbraw/zinc/58/13/27/377581327.db2.gz PNHVOWDZCATPAV-WBVHZDCISA-N 2 1 276.424 2.308 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000565165314 377581332 /nfs/dbraw/zinc/58/13/32/377581332.db2.gz PNHVOWDZCATPAV-WBVHZDCISA-N 2 1 276.424 2.308 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000565165314 377581335 /nfs/dbraw/zinc/58/13/35/377581335.db2.gz PNHVOWDZCATPAV-WBVHZDCISA-N 2 1 276.424 2.308 20 0 CEADMP Cn1c2cc(F)ccc2[nH+]c1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000431423325 377641260 /nfs/dbraw/zinc/64/12/60/377641260.db2.gz SBSPTQITGCVKDQ-QWHCGFSZSA-N 2 1 290.386 2.419 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000431857986 377679798 /nfs/dbraw/zinc/67/97/98/377679798.db2.gz BCNVNCGWGSNANE-OAGGEKHMSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000431857986 377679804 /nfs/dbraw/zinc/67/98/04/377679804.db2.gz BCNVNCGWGSNANE-OAGGEKHMSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000431857986 377679811 /nfs/dbraw/zinc/67/98/11/377679811.db2.gz BCNVNCGWGSNANE-OAGGEKHMSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC000432350910 377751251 /nfs/dbraw/zinc/75/12/51/377751251.db2.gz GNEFGGCUSMVUJN-IXDOHACOSA-N 2 1 298.471 2.282 20 0 CEADMP CC[N@H+](Cc1ccc(-c2nc(C[NH3+])no2)cc1)C(C)C ZINC000567165895 377807645 /nfs/dbraw/zinc/80/76/45/377807645.db2.gz BAWNBTNMTHHAJA-UHFFFAOYSA-N 2 1 274.368 2.426 20 0 CEADMP CC[N@@H+](Cc1ccc(-c2nc(C[NH3+])no2)cc1)C(C)C ZINC000567165895 377807650 /nfs/dbraw/zinc/80/76/50/377807650.db2.gz BAWNBTNMTHHAJA-UHFFFAOYSA-N 2 1 274.368 2.426 20 0 CEADMP C[NH2+]CCC[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000435876777 377812417 /nfs/dbraw/zinc/81/24/17/377812417.db2.gz KLKAXRJICWQZLV-GFCCVEGCSA-N 2 1 253.415 2.370 20 0 CEADMP C[NH2+]CCC[N@@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000435876777 377812422 /nfs/dbraw/zinc/81/24/22/377812422.db2.gz KLKAXRJICWQZLV-GFCCVEGCSA-N 2 1 253.415 2.370 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CC[C@@H]2CCOC2)C1 ZINC000438071497 377878907 /nfs/dbraw/zinc/87/89/07/377878907.db2.gz KBFISVRELVQPDR-OWCLPIDISA-N 2 1 268.445 2.371 20 0 CEADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)[C@H]1CCOC1 ZINC000438124927 377889834 /nfs/dbraw/zinc/88/98/34/377889834.db2.gz HBJLPUWTYSGOAC-HOTGVXAUSA-N 2 1 266.429 2.221 20 0 CEADMP c1[nH]nc2c1CCC[C@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294197143 377935698 /nfs/dbraw/zinc/93/56/98/377935698.db2.gz LOGUMSHIGNENKX-MRXNPFEDSA-N 2 1 297.406 2.441 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H]2C2CC2)CC1(C)C ZINC000442873813 378011617 /nfs/dbraw/zinc/01/16/17/378011617.db2.gz LLPADRAQLUARDW-JKSUJKDBSA-N 2 1 279.472 2.181 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443056271 378030489 /nfs/dbraw/zinc/03/04/89/378030489.db2.gz CNLNRCIWFGLVTC-HRCADAONSA-N 2 1 295.471 2.227 20 0 CEADMP CCc1cc(N[C@H](C)C[NH+]2CCOCC2)c2ccccc2[nH+]1 ZINC000443670830 378070113 /nfs/dbraw/zinc/07/01/13/378070113.db2.gz AXIAOQCKFZSANH-CQSZACIVSA-N 2 1 299.418 2.352 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447837702 378146232 /nfs/dbraw/zinc/14/62/32/378146232.db2.gz WNUYSTNTNBVRPB-AWEZNQCLSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447837702 378146240 /nfs/dbraw/zinc/14/62/40/378146240.db2.gz WNUYSTNTNBVRPB-AWEZNQCLSA-N 2 1 265.401 2.329 20 0 CEADMP CC[C@H]1CCC[NH+]1CC(O)C[N@@H+]1CCC[C@@H]1CC ZINC000447344906 378103711 /nfs/dbraw/zinc/10/37/11/378103711.db2.gz FKZCYTCUKXIPRT-KBPBESRZSA-N 2 1 254.418 2.096 20 0 CEADMP c1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)n(-c2ccccc2)n1 ZINC000447945706 378163334 /nfs/dbraw/zinc/16/33/34/378163334.db2.gz XQDDBFDBRQLPKT-OAHLLOKOSA-N 2 1 296.418 2.446 20 0 CEADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)n(-c2ccccc2)n1 ZINC000447945706 378163339 /nfs/dbraw/zinc/16/33/39/378163339.db2.gz XQDDBFDBRQLPKT-OAHLLOKOSA-N 2 1 296.418 2.446 20 0 CEADMP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@H]1CCCOC1 ZINC000449780940 378229854 /nfs/dbraw/zinc/22/98/54/378229854.db2.gz HKLGXJGFARMHIA-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@H]1CCCOC1 ZINC000449780940 378229858 /nfs/dbraw/zinc/22/98/58/378229858.db2.gz HKLGXJGFARMHIA-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CCOCC[N@H+]1CCN(c2cc[nH+]c(CC)c2)C[C@H]1C ZINC000450310776 378350412 /nfs/dbraw/zinc/35/04/12/378350412.db2.gz FIPLVRQJJNHMOY-CQSZACIVSA-N 2 1 277.412 2.191 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000450400135 378395841 /nfs/dbraw/zinc/39/58/41/378395841.db2.gz FQYQZCFMAHJIMY-VYDXJSESSA-N 2 1 276.424 2.035 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000450402880 378397783 /nfs/dbraw/zinc/39/77/83/378397783.db2.gz AMDWJWILRUSNME-UHFFFAOYSA-N 2 1 280.456 2.345 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2CCC(=O)CC2)C1 ZINC000450452297 378424005 /nfs/dbraw/zinc/42/40/05/378424005.db2.gz JPFZBDWEKBHJEQ-QGZVFWFLSA-N 2 1 296.455 2.178 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC1CC(F)(F)C1 ZINC000450598246 378492794 /nfs/dbraw/zinc/49/27/94/378492794.db2.gz JIOLHMLYOAPCFG-HZSPNIEDSA-N 2 1 288.382 2.215 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000451090072 378705085 /nfs/dbraw/zinc/70/50/85/378705085.db2.gz GDGHRFVECKGMRI-HNNXBMFYSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000451090072 378705091 /nfs/dbraw/zinc/70/50/91/378705091.db2.gz GDGHRFVECKGMRI-HNNXBMFYSA-N 2 1 290.455 2.388 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000298447847 378729633 /nfs/dbraw/zinc/72/96/33/378729633.db2.gz NUISOFJEEXGLJZ-YVEFUNNKSA-N 2 1 292.398 2.464 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ccncn2)CC1 ZINC000298453395 378730760 /nfs/dbraw/zinc/73/07/60/378730760.db2.gz REUKYLWXBDWMBD-UHFFFAOYSA-N 2 1 285.395 2.251 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]12 ZINC000346821539 218025223 /nfs/dbraw/zinc/02/52/23/218025223.db2.gz AWCSDFXILLBMSD-NUEKZKHPSA-N 2 1 282.391 2.246 20 0 CEADMP Cc1ccn2c(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cnc2c1 ZINC000346850110 218036058 /nfs/dbraw/zinc/03/60/58/218036058.db2.gz PJZCDFWHBPMGLQ-CWRNSKLLSA-N 2 1 284.407 2.202 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000346851364 218036296 /nfs/dbraw/zinc/03/62/96/218036296.db2.gz JGRIEGRUBBKLIX-XHSDSOJGSA-N 2 1 276.428 2.098 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccn1 ZINC000453291882 378855805 /nfs/dbraw/zinc/85/58/05/378855805.db2.gz OFSGRKCZNVQRDK-OAGGEKHMSA-N 2 1 259.397 2.352 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000453290033 378856131 /nfs/dbraw/zinc/85/61/31/378856131.db2.gz MIADVSCMKXAIMT-PVAVHDDUSA-N 2 1 276.424 2.174 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)CC[N@H+]1C ZINC000453329798 378863774 /nfs/dbraw/zinc/86/37/74/378863774.db2.gz YBFIBRAGOKYRNI-ILXRZTDVSA-N 2 1 266.429 2.408 20 0 CEADMP C1C[C@@H]2C[C@@H]([NH+]3CCC[C@@]4(CCOC4)C3)CC[N@H+]2C1 ZINC000453343356 378868192 /nfs/dbraw/zinc/86/81/92/378868192.db2.gz DMFMWGYNIHZFHR-OWCLPIDISA-N 2 1 264.413 2.116 20 0 CEADMP C1C[C@@H]2C[C@@H]([N@@H+]3CCC[C@@]4(CCOC4)C3)CC[NH+]2C1 ZINC000453343356 378868194 /nfs/dbraw/zinc/86/81/94/378868194.db2.gz DMFMWGYNIHZFHR-OWCLPIDISA-N 2 1 264.413 2.116 20 0 CEADMP C1C[C@@H]2C[C@@H]([N@H+]3CCC[C@@]4(CCOC4)C3)CC[NH+]2C1 ZINC000453343356 378868199 /nfs/dbraw/zinc/86/81/99/378868199.db2.gz DMFMWGYNIHZFHR-OWCLPIDISA-N 2 1 264.413 2.116 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[NH+](C)[C@@H]3CCC[C@H]31)C2 ZINC000453347553 378869087 /nfs/dbraw/zinc/86/90/87/378869087.db2.gz KRKGIONTFRTFTR-HUESISHMSA-N 2 1 277.456 2.074 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)C2 ZINC000453347553 378869093 /nfs/dbraw/zinc/86/90/93/378869093.db2.gz KRKGIONTFRTFTR-HUESISHMSA-N 2 1 277.456 2.074 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@@H+](C)[C@@H]3CCC[C@H]31)C2 ZINC000453347553 378869098 /nfs/dbraw/zinc/86/90/98/378869098.db2.gz KRKGIONTFRTFTR-HUESISHMSA-N 2 1 277.456 2.074 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[NH+](C)[C@@H]3CCC[C@H]31)C2 ZINC000453347553 378869106 /nfs/dbraw/zinc/86/91/06/378869106.db2.gz KRKGIONTFRTFTR-HUESISHMSA-N 3 1 277.456 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[NH+](C)[C@@H]3CCC[C@H]31)C2 ZINC000453347553 378869109 /nfs/dbraw/zinc/86/91/09/378869109.db2.gz KRKGIONTFRTFTR-HUESISHMSA-N 3 1 277.456 2.074 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)C2 ZINC000453347553 378869119 /nfs/dbraw/zinc/86/91/19/378869119.db2.gz KRKGIONTFRTFTR-HUESISHMSA-N 3 1 277.456 2.074 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[N@@H+](C)[C@@H]3CCC[C@H]31)C2 ZINC000453347553 378869121 /nfs/dbraw/zinc/86/91/21/378869121.db2.gz KRKGIONTFRTFTR-HUESISHMSA-N 3 1 277.456 2.074 20 0 CEADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1nccn1C ZINC000453399791 378887037 /nfs/dbraw/zinc/88/70/37/378887037.db2.gz LLWJCXYOIAQJHJ-CQSZACIVSA-N 2 1 264.417 2.335 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOC2CCC2)[C@@H](C)C1 ZINC000346917325 218057666 /nfs/dbraw/zinc/05/76/66/218057666.db2.gz ZGIQLLQSTDZBBW-RDJZCZTQSA-N 2 1 298.471 2.282 20 0 CEADMP CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000347017358 218092220 /nfs/dbraw/zinc/09/22/20/218092220.db2.gz DMIGEEQCXHDXMP-CQSZACIVSA-N 2 1 278.396 2.265 20 0 CEADMP CCCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000347017358 218092222 /nfs/dbraw/zinc/09/22/22/218092222.db2.gz DMIGEEQCXHDXMP-CQSZACIVSA-N 2 1 278.396 2.265 20 0 CEADMP OC[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346979795 218078363 /nfs/dbraw/zinc/07/83/63/218078363.db2.gz ODOHOQZGHPMQEF-WMZOPIPTSA-N 2 1 288.435 2.259 20 0 CEADMP Cc1ncc(C[NH2+]CCCC[N@H+](C)C2CC2)s1 ZINC000453601058 378918401 /nfs/dbraw/zinc/91/84/01/378918401.db2.gz TYWAFZDLYGBQMZ-UHFFFAOYSA-N 2 1 253.415 2.416 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)CC[C@H]1[NH3+] ZINC000347042769 218103142 /nfs/dbraw/zinc/10/31/42/218103142.db2.gz MCLROPMFZYKIHS-ZWNOBZJWSA-N 2 1 270.323 2.457 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC2CCC2)C[C@@H]1C ZINC000347053949 218105220 /nfs/dbraw/zinc/10/52/20/218105220.db2.gz LNQWPSJMAFEUMZ-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC2CCC2)C[C@@H]1C ZINC000347053949 218105222 /nfs/dbraw/zinc/10/52/22/218105222.db2.gz LNQWPSJMAFEUMZ-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC2CCC2)C[C@@H]1C ZINC000347053949 218105223 /nfs/dbraw/zinc/10/52/23/218105223.db2.gz LNQWPSJMAFEUMZ-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP COCCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000347088496 218117885 /nfs/dbraw/zinc/11/78/85/218117885.db2.gz FEPWTOHRSPKVJC-GDBMZVCRSA-N 2 1 292.423 2.271 20 0 CEADMP CC(C)c1ncc(C[N@@H+]2CCC[C@H](C[NH3+])C2)s1 ZINC000347114165 218125891 /nfs/dbraw/zinc/12/58/91/218125891.db2.gz SKSVRWCVFZPBIA-LLVKDONJSA-N 2 1 253.415 2.437 20 0 CEADMP CC(C)c1ncc(C[N@H+]2CCC[C@H](C[NH3+])C2)s1 ZINC000347114165 218125892 /nfs/dbraw/zinc/12/58/92/218125892.db2.gz SKSVRWCVFZPBIA-LLVKDONJSA-N 2 1 253.415 2.437 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000347111847 218126651 /nfs/dbraw/zinc/12/66/51/218126651.db2.gz QAZUIEAVYVOCJY-CYBMUJFWSA-N 2 1 290.436 2.365 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000347116523 218128412 /nfs/dbraw/zinc/12/84/12/218128412.db2.gz VOFCFAXXXKBRGX-OAHLLOKOSA-N 2 1 284.407 2.351 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000347116523 218128415 /nfs/dbraw/zinc/12/84/15/218128415.db2.gz VOFCFAXXXKBRGX-OAHLLOKOSA-N 2 1 284.407 2.351 20 0 CEADMP CCC[N@@H+](Cc1ccc2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000347153765 218139737 /nfs/dbraw/zinc/13/97/37/218139737.db2.gz BPUQLWKLMUNMMA-UHFFFAOYSA-N 2 1 290.407 2.422 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000347161649 218141577 /nfs/dbraw/zinc/14/15/77/218141577.db2.gz HEQSWIQNHKPPEP-LBPRGKRZSA-N 2 1 288.420 2.376 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000347161649 218141579 /nfs/dbraw/zinc/14/15/79/218141579.db2.gz HEQSWIQNHKPPEP-LBPRGKRZSA-N 2 1 288.420 2.376 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000278608396 194066443 /nfs/dbraw/zinc/06/64/43/194066443.db2.gz ZZPLRNWQXYDBGV-BPUTZDHNSA-N 2 1 262.397 2.101 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000347216231 218157375 /nfs/dbraw/zinc/15/73/75/218157375.db2.gz REFLILOFRQEKTB-UHFFFAOYSA-N 2 1 299.422 2.089 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000347241823 218165526 /nfs/dbraw/zinc/16/55/26/218165526.db2.gz XBBPWJICMNXKIY-CYBMUJFWSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]([C@H](C)CO)C1CCCC1 ZINC000347241823 218165528 /nfs/dbraw/zinc/16/55/28/218165528.db2.gz XBBPWJICMNXKIY-CYBMUJFWSA-N 2 1 265.401 2.207 20 0 CEADMP COC1CC([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000347200817 218153941 /nfs/dbraw/zinc/15/39/41/218153941.db2.gz YTDJQRYKIXSGNI-WLYUNCDWSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+](CC[C@H]1CCCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000347409035 218225524 /nfs/dbraw/zinc/22/55/24/218225524.db2.gz BJNZPEGKRIQCEY-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@H]1CCCCO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000347409035 218225525 /nfs/dbraw/zinc/22/55/25/218225525.db2.gz BJNZPEGKRIQCEY-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@H]1CCCCO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000347409035 218225527 /nfs/dbraw/zinc/22/55/27/218225527.db2.gz BJNZPEGKRIQCEY-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCC2CCOCC2)CC[N@H+]1C ZINC000347412082 218225566 /nfs/dbraw/zinc/22/55/66/218225566.db2.gz GKOZOSRQTDWVTB-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)CCc2ccccc2)CC1 ZINC000347435130 218233357 /nfs/dbraw/zinc/23/33/57/218233357.db2.gz ITQWZOUSBAJVEA-SFHVURJKSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)CCc2ccccc2)CC1 ZINC000347435130 218233359 /nfs/dbraw/zinc/23/33/59/218233359.db2.gz ITQWZOUSBAJVEA-SFHVURJKSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000347444320 218237442 /nfs/dbraw/zinc/23/74/42/218237442.db2.gz SDEWPEZENXTSSM-IAGOWNOFSA-N 2 1 298.471 2.378 20 0 CEADMP COCCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000300413856 379169154 /nfs/dbraw/zinc/16/91/54/379169154.db2.gz GWWIICOQYQSWKI-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP c1cnn(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278824753 194170457 /nfs/dbraw/zinc/17/04/57/194170457.db2.gz HVGSJWDMVIPXDI-UHFFFAOYSA-N 2 1 299.422 2.296 20 0 CEADMP Cc1cc(NC(=O)NC(C)(C)C[NH+](C)C)cn2cc[nH+]c12 ZINC000455619246 379212798 /nfs/dbraw/zinc/21/27/98/379212798.db2.gz JFVPZCJEQUVVLN-UHFFFAOYSA-N 2 1 289.383 2.104 20 0 CEADMP Cc1ccccc1[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000518144243 379378956 /nfs/dbraw/zinc/37/89/56/379378956.db2.gz CJQMCTPGVNYFRD-NVXWUHKLSA-N 2 1 274.408 2.368 20 0 CEADMP [NH3+]C[C@@H]1CCCC[N@@H+]1CCCCC1CCOCC1 ZINC000302259774 379346924 /nfs/dbraw/zinc/34/69/24/379346924.db2.gz OBHHNTFPNFKUDQ-HNNXBMFYSA-N 2 1 254.418 2.397 20 0 CEADMP [NH3+]C[C@@H]1CCCC[N@H+]1CCCCC1CCOCC1 ZINC000302259774 379346928 /nfs/dbraw/zinc/34/69/28/379346928.db2.gz OBHHNTFPNFKUDQ-HNNXBMFYSA-N 2 1 254.418 2.397 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000519424810 379419737 /nfs/dbraw/zinc/41/97/37/379419737.db2.gz AQXVZEPCHSOEQU-PMPSAXMXSA-N 3 1 267.461 2.358 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCCO)C2)CC1 ZINC000303378575 379493609 /nfs/dbraw/zinc/49/36/09/379493609.db2.gz QAAUUQNWSIDLTG-MRXNPFEDSA-N 2 1 268.445 2.203 20 0 CEADMP COc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000266721605 190277392 /nfs/dbraw/zinc/27/73/92/190277392.db2.gz HPTWDACGGJROQG-UHFFFAOYSA-N 2 1 272.352 2.193 20 0 CEADMP CC[C@H](C(=O)NCCCCn1cc[nH+]c1C)[NH+](CC)CC ZINC000266807133 190281552 /nfs/dbraw/zinc/28/15/52/190281552.db2.gz BVHWPAAXVFFXMP-OAHLLOKOSA-N 2 1 294.443 2.208 20 0 CEADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2cccc(C[NH+](C)C)c2)C1 ZINC000347717053 218331756 /nfs/dbraw/zinc/33/17/56/218331756.db2.gz JAZZZOLTZIJKFZ-PBHICJAKSA-N 2 1 275.440 2.178 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2cccc(C[NH+](C)C)c2)C1 ZINC000347717053 218331757 /nfs/dbraw/zinc/33/17/57/218331757.db2.gz JAZZZOLTZIJKFZ-PBHICJAKSA-N 2 1 275.440 2.178 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000305649550 379724049 /nfs/dbraw/zinc/72/40/49/379724049.db2.gz TXFWNRQJTKXGMA-ZFWWWQNUSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000305649550 379724052 /nfs/dbraw/zinc/72/40/52/379724052.db2.gz TXFWNRQJTKXGMA-ZFWWWQNUSA-N 2 1 265.401 2.207 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000527991384 379868981 /nfs/dbraw/zinc/86/89/81/379868981.db2.gz VFUPNIKMCUAEHS-ARFHVFGLSA-N 2 1 289.423 2.095 20 0 CEADMP C/C(Cl)=C/C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000528421436 379966861 /nfs/dbraw/zinc/96/68/61/379966861.db2.gz ODVVDDCTTFAAAW-UGYPUUJKSA-N 2 1 272.820 2.313 20 0 CEADMP C/C(Cl)=C/C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000528421436 379966866 /nfs/dbraw/zinc/96/68/66/379966866.db2.gz ODVVDDCTTFAAAW-UGYPUUJKSA-N 2 1 272.820 2.313 20 0 CEADMP CCc1noc([C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000333866488 380166853 /nfs/dbraw/zinc/16/68/53/380166853.db2.gz RAIQTOZEBRIVGD-WCQYABFASA-N 2 1 278.400 2.157 20 0 CEADMP Cc1cc[nH+]c(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000268293297 190393154 /nfs/dbraw/zinc/39/31/54/190393154.db2.gz FCBIRELYSKMWJR-KRWDZBQOSA-N 2 1 297.402 2.221 20 0 CEADMP Cc1cc[nH+]c(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000268293297 190393155 /nfs/dbraw/zinc/39/31/55/190393155.db2.gz FCBIRELYSKMWJR-KRWDZBQOSA-N 2 1 297.402 2.221 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)o1 ZINC000333803231 380151424 /nfs/dbraw/zinc/15/14/24/380151424.db2.gz YNTBUIRNBZNCJN-SOUVJXGZSA-N 2 1 263.385 2.383 20 0 CEADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000334230907 380258209 /nfs/dbraw/zinc/25/82/09/380258209.db2.gz KOCDLTHLMIHWAP-WFASDCNBSA-N 2 1 279.472 2.368 20 0 CEADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000334230907 380258210 /nfs/dbraw/zinc/25/82/10/380258210.db2.gz KOCDLTHLMIHWAP-WFASDCNBSA-N 2 1 279.472 2.368 20 0 CEADMP C[C@H](C[NH2+]Cc1cnc(-c2ccccn2)s1)C[NH+](C)C ZINC000491560773 380331265 /nfs/dbraw/zinc/33/12/65/380331265.db2.gz QWNWZHBRRISOEL-GFCCVEGCSA-N 2 1 290.436 2.492 20 0 CEADMP Cn1cnc2cc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)ccc21 ZINC000334491748 380482127 /nfs/dbraw/zinc/48/21/27/380482127.db2.gz DQMXCCJBMJQHDR-CQSZACIVSA-N 2 1 272.396 2.147 20 0 CEADMP Cc1occc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334580044 380631985 /nfs/dbraw/zinc/63/19/85/380631985.db2.gz LTSCEYWOGBFLGL-CQSZACIVSA-N 2 1 291.439 2.188 20 0 CEADMP CCC[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000554544958 380779653 /nfs/dbraw/zinc/77/96/53/380779653.db2.gz RTUQYLWKGUIDLY-HZPDHXFCSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000554882710 380799958 /nfs/dbraw/zinc/79/99/58/380799958.db2.gz NLRYYDGVSWSWPH-CYBMUJFWSA-N 2 1 289.414 2.036 20 0 CEADMP C[N@@H+](CCC(=O)NCCC[NH+]1CCCC1)C1CCCCC1 ZINC000555870799 380851477 /nfs/dbraw/zinc/85/14/77/380851477.db2.gz WGTBDJBVJHMAAC-UHFFFAOYSA-N 2 1 295.471 2.243 20 0 CEADMP Cc1ncccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334871026 207219400 /nfs/dbraw/zinc/21/94/00/207219400.db2.gz WNKDPUYZDRLDGW-ZBFHGGJFSA-N 2 1 259.397 2.354 20 0 CEADMP Fc1cc(F)c2c(c1)C[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000334967897 207381882 /nfs/dbraw/zinc/38/18/82/207381882.db2.gz LEGQGJIFGUFXKX-LLVKDONJSA-N 2 1 266.335 2.323 20 0 CEADMP C[NH2+][C@H](C)Cc1noc([C@H]([NH3+])CC2CCCCC2)n1 ZINC000414490544 533006132 /nfs/dbraw/zinc/00/61/32/533006132.db2.gz OKNPLSKOJYWAKK-ZYHUDNBSSA-N 2 1 266.389 2.190 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+]CCCn1cc[nH+]c1C)C1CC1 ZINC000411968728 533018326 /nfs/dbraw/zinc/01/83/26/533018326.db2.gz KGMLAVKFKGIKAG-WFASDCNBSA-N 2 1 265.401 2.375 20 0 CEADMP Cc1ncc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000335280534 208093017 /nfs/dbraw/zinc/09/30/17/208093017.db2.gz UVUZJVBIFJRBMU-LLVKDONJSA-N 2 1 265.426 2.416 20 0 CEADMP Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000335344762 208236568 /nfs/dbraw/zinc/23/65/68/208236568.db2.gz YEBGRKJJJQYFAL-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000335344762 208236572 /nfs/dbraw/zinc/23/65/72/208236572.db2.gz YEBGRKJJJQYFAL-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000335344762 208236576 /nfs/dbraw/zinc/23/65/76/208236576.db2.gz YEBGRKJJJQYFAL-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000335344762 208236580 /nfs/dbraw/zinc/23/65/80/208236580.db2.gz YEBGRKJJJQYFAL-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000289356631 197309648 /nfs/dbraw/zinc/30/96/48/197309648.db2.gz MFOWSPCDASYEQZ-DOTOQJQBSA-N 2 1 292.423 2.191 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000289356631 197309650 /nfs/dbraw/zinc/30/96/50/197309650.db2.gz MFOWSPCDASYEQZ-DOTOQJQBSA-N 2 1 292.423 2.191 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1occc1C ZINC000349075146 285251190 /nfs/dbraw/zinc/25/11/90/285251190.db2.gz NZNIUKYXEWPGPE-MRXNPFEDSA-N 2 1 293.455 2.436 20 0 CEADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n(C)n1 ZINC000417988160 227373933 /nfs/dbraw/zinc/37/39/33/227373933.db2.gz RSVXLFJQPOQKKH-LSDHHAIUSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n(C)n1 ZINC000417988160 227373929 /nfs/dbraw/zinc/37/39/29/227373929.db2.gz RSVXLFJQPOQKKH-LSDHHAIUSA-N 2 1 290.455 2.471 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(=O)N(C)C ZINC000357878144 533340414 /nfs/dbraw/zinc/34/04/14/533340414.db2.gz OQHUQYONMQSJIX-FMKPAKJESA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@H](C)[NH3+] ZINC000192088527 130367912 /nfs/dbraw/zinc/36/79/12/130367912.db2.gz RCFWKUNTOUGLOQ-SUNKGSAMSA-N 2 1 297.830 2.042 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000355432533 394451494 /nfs/dbraw/zinc/45/14/94/394451494.db2.gz KPEZEBPVTSUFMD-ILXRZTDVSA-N 2 1 283.460 2.094 20 0 CEADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228284006 394475667 /nfs/dbraw/zinc/47/56/67/394475667.db2.gz GYLMFNWYPGVOGJ-FJIDUMEYSA-N 2 1 288.435 2.182 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000236750370 394487498 /nfs/dbraw/zinc/48/74/98/394487498.db2.gz LCPVWJYGOVQOKQ-NVXWUHKLSA-N 2 1 295.471 2.289 20 0 CEADMP CC(C)C[NH2+]CCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000252362745 394570364 /nfs/dbraw/zinc/57/03/64/394570364.db2.gz APOMDFYKVULALM-KRWDZBQOSA-N 2 1 275.440 2.221 20 0 CEADMP [NH3+][C@@H]1C[C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000252760146 394574192 /nfs/dbraw/zinc/57/41/92/394574192.db2.gz CWNFOJLIUJHGGC-CSMYWGQOSA-N 2 1 271.408 2.205 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c(N(C)C)n1 ZINC000068690065 394582695 /nfs/dbraw/zinc/58/26/95/394582695.db2.gz JLVBMWQTQFJSBE-ZDUSSCGKSA-N 2 1 277.416 2.219 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNc1cc[nH+]c(N(C)C)n1 ZINC000068690065 394582696 /nfs/dbraw/zinc/58/26/96/394582696.db2.gz JLVBMWQTQFJSBE-ZDUSSCGKSA-N 2 1 277.416 2.219 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](CC(C)(C)C)C1)C1CC1 ZINC000307842220 394523724 /nfs/dbraw/zinc/52/37/24/394523724.db2.gz DXJDFOMEBLFAQH-DZGCQCFKSA-N 2 1 268.445 2.200 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](CC(C)(C)C)C1)C1CC1 ZINC000307842220 394523729 /nfs/dbraw/zinc/52/37/29/394523729.db2.gz DXJDFOMEBLFAQH-DZGCQCFKSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](CC(C)(C)C)C1)C1CC1 ZINC000307842220 394523730 /nfs/dbraw/zinc/52/37/30/394523730.db2.gz DXJDFOMEBLFAQH-DZGCQCFKSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](CC(C)(C)C)C1)C1CC1 ZINC000307842220 394523733 /nfs/dbraw/zinc/52/37/33/394523733.db2.gz DXJDFOMEBLFAQH-DZGCQCFKSA-N 2 1 268.445 2.200 20 0 CEADMP CCn1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000308030254 394524610 /nfs/dbraw/zinc/52/46/10/394524610.db2.gz SHCLITAQBQXIRB-GOOCMWNKSA-N 2 1 276.428 2.235 20 0 CEADMP CCn1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000308030254 394524615 /nfs/dbraw/zinc/52/46/15/394524615.db2.gz SHCLITAQBQXIRB-GOOCMWNKSA-N 2 1 276.428 2.235 20 0 CEADMP C[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309882053 394533009 /nfs/dbraw/zinc/53/30/09/394533009.db2.gz WOUPNQMBFBZWSI-DOTOQJQBSA-N 2 1 276.424 2.259 20 0 CEADMP CC1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000090715011 394656227 /nfs/dbraw/zinc/65/62/27/394656227.db2.gz SSBDXWUQCBNUGA-CVSAEHQPSA-N 2 1 252.402 2.018 20 0 CEADMP CC1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000090715011 394656229 /nfs/dbraw/zinc/65/62/29/394656229.db2.gz SSBDXWUQCBNUGA-CVSAEHQPSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCSC3)C2)C1 ZINC000334204120 394664013 /nfs/dbraw/zinc/66/40/13/394664013.db2.gz RVJYWVJNYLGRDR-ZIAGYGMSSA-N 2 1 254.443 2.157 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CCSC3)C2)C1 ZINC000334204120 394664016 /nfs/dbraw/zinc/66/40/16/394664016.db2.gz RVJYWVJNYLGRDR-ZIAGYGMSSA-N 2 1 254.443 2.157 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3CCSC3)C2)C1 ZINC000334204120 394664018 /nfs/dbraw/zinc/66/40/18/394664018.db2.gz RVJYWVJNYLGRDR-ZIAGYGMSSA-N 2 1 254.443 2.157 20 0 CEADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000422046537 394664294 /nfs/dbraw/zinc/66/42/94/394664294.db2.gz ZZSWVIDEIMPFMS-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257727614 394597064 /nfs/dbraw/zinc/59/70/64/394597064.db2.gz WPMRKPIFRXRUTK-ZDUSSCGKSA-N 2 1 251.399 2.027 20 0 CEADMP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257727614 394597068 /nfs/dbraw/zinc/59/70/68/394597068.db2.gz WPMRKPIFRXRUTK-ZDUSSCGKSA-N 2 1 251.399 2.027 20 0 CEADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC000421828105 394607735 /nfs/dbraw/zinc/60/77/35/394607735.db2.gz BBHULTYPTSTUBL-MELADBBJSA-N 2 1 254.418 2.406 20 0 CEADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000421828105 394607737 /nfs/dbraw/zinc/60/77/37/394607737.db2.gz BBHULTYPTSTUBL-MELADBBJSA-N 2 1 254.418 2.406 20 0 CEADMP COC1([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CCCC1 ZINC000421838230 394611294 /nfs/dbraw/zinc/61/12/94/394611294.db2.gz UYUQZJKZDPXBGC-CVEARBPZSA-N 2 1 298.471 2.161 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccn(-c4ccccc4)n3)C[C@@H]21 ZINC000262054446 394612891 /nfs/dbraw/zinc/61/28/91/394612891.db2.gz DGBJTUFRYGJGCE-FHLIZLRMSA-N 2 1 296.418 2.432 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccn(-c4ccccc4)n3)C[C@@H]21 ZINC000262054446 394612895 /nfs/dbraw/zinc/61/28/95/394612895.db2.gz DGBJTUFRYGJGCE-FHLIZLRMSA-N 2 1 296.418 2.432 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000356798373 394617366 /nfs/dbraw/zinc/61/73/66/394617366.db2.gz ZJUPTICRUXKCIY-TUVASFSCSA-N 2 1 283.460 2.093 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356879446 394641141 /nfs/dbraw/zinc/64/11/41/394641141.db2.gz TXIHRQGTAPYZKG-UMVBOHGHSA-N 2 1 265.401 2.232 20 0 CEADMP C[N@@H+](Cc1ccc(Br)cc1)C1CC([NH3+])C1 ZINC000087653304 394645685 /nfs/dbraw/zinc/64/56/85/394645685.db2.gz FDGTYOLBDNIWIE-UHFFFAOYSA-N 2 1 269.186 2.371 20 0 CEADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1(C(=O)OC)CCC1 ZINC000414200638 394729904 /nfs/dbraw/zinc/72/99/04/394729904.db2.gz XNCFTOJGAJNUKI-LSDHHAIUSA-N 2 1 296.455 2.430 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000422717110 394737015 /nfs/dbraw/zinc/73/70/15/394737015.db2.gz VKUQJJQQJYKEPB-XYPHTWIQSA-N 2 1 293.430 2.406 20 0 CEADMP C[C@@H](NCCCCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422716470 394737045 /nfs/dbraw/zinc/73/70/45/394737045.db2.gz NFHJTRLAELCXRY-CVEARBPZSA-N 2 1 267.461 2.373 20 0 CEADMP C[C@H](NCCCCC[NH+]1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000422716473 394737058 /nfs/dbraw/zinc/73/70/58/394737058.db2.gz NFHJTRLAELCXRY-JKSUJKDBSA-N 2 1 267.461 2.373 20 0 CEADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000359220110 394745163 /nfs/dbraw/zinc/74/51/63/394745163.db2.gz NJCRXKYANQTUEN-SJORKVTESA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C)[N@@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000357034116 394688128 /nfs/dbraw/zinc/68/81/28/394688128.db2.gz VKUTWDXOIQESNF-AWEZNQCLSA-N 2 1 250.386 2.262 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc2c1OCC2 ZINC000357040574 394689968 /nfs/dbraw/zinc/68/99/68/394689968.db2.gz BWAIDPTYKYTAOO-DLBZAZTESA-N 2 1 286.419 2.095 20 0 CEADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)[C@@H]1CC1(C)C ZINC000414068975 394692798 /nfs/dbraw/zinc/69/27/98/394692798.db2.gz RDCJFOCJJLWYFS-KBPBESRZSA-N 2 1 256.434 2.369 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422732170 394746002 /nfs/dbraw/zinc/74/60/02/394746002.db2.gz PJICUKJBHFXECA-CYBMUJFWSA-N 3 1 278.444 2.231 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCn1cnc2ccccc21 ZINC000268796755 394699008 /nfs/dbraw/zinc/69/90/08/394699008.db2.gz DULXCVIHWFEPIA-FMKPAKJESA-N 2 1 286.423 2.355 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000358017026 394707755 /nfs/dbraw/zinc/70/77/55/394707755.db2.gz NWFSFZIVMHPMJA-HLLBOEOZSA-N 2 1 287.451 2.367 20 0 CEADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CC1(C)C ZINC000414126818 394710438 /nfs/dbraw/zinc/71/04/38/394710438.db2.gz FMZSCNDXEOHEMM-HUUCEWRRSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccs1 ZINC000358227205 394712450 /nfs/dbraw/zinc/71/24/50/394712450.db2.gz AKZMSVIUZNGMKY-DZGCQCFKSA-N 2 1 282.453 2.492 20 0 CEADMP CC(C)C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccs1 ZINC000358227205 394712453 /nfs/dbraw/zinc/71/24/53/394712453.db2.gz AKZMSVIUZNGMKY-DZGCQCFKSA-N 2 1 282.453 2.492 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422564142 394712637 /nfs/dbraw/zinc/71/26/37/394712637.db2.gz VOBANILJKRGPFB-BZPMIXESSA-N 2 1 278.396 2.206 20 0 CEADMP COc1c(O)cccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422564142 394712643 /nfs/dbraw/zinc/71/26/43/394712643.db2.gz VOBANILJKRGPFB-BZPMIXESSA-N 2 1 278.396 2.206 20 0 CEADMP Cc1ccc(NCCCNC(=O)CCCCCC[NH3+])[nH+]c1 ZINC000269250833 394714866 /nfs/dbraw/zinc/71/48/66/394714866.db2.gz GQUCFYSZURVKGD-UHFFFAOYSA-N 2 1 292.427 2.217 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCCN(C3CCCC3)CC2)CC[NH2+]1 ZINC000334860955 394716451 /nfs/dbraw/zinc/71/64/51/394716451.db2.gz ZPPPXXLLUKXMIV-JKSUJKDBSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H]1C[C@H](CN2CCC[N@@H+](C3CCCC3)CC2)CC[NH2+]1 ZINC000334860955 394716454 /nfs/dbraw/zinc/71/64/54/394716454.db2.gz ZPPPXXLLUKXMIV-JKSUJKDBSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H]1C[C@H](CN2CCC[N@H+](C3CCCC3)CC2)CC[NH2+]1 ZINC000334860955 394716457 /nfs/dbraw/zinc/71/64/57/394716457.db2.gz ZPPPXXLLUKXMIV-JKSUJKDBSA-N 2 1 279.472 2.325 20 0 CEADMP CCOCCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000358345369 394718858 /nfs/dbraw/zinc/71/88/58/394718858.db2.gz NMSKJBILSYJDRL-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP COc1cccc(OCC[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422642313 394723704 /nfs/dbraw/zinc/72/37/04/394723704.db2.gz ZDZCENOIOWLAHY-KKUMJFAQSA-N 2 1 292.423 2.379 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000422693498 394724244 /nfs/dbraw/zinc/72/42/44/394724244.db2.gz LXGAHJCZAZDWHP-HZMBPMFUSA-N 2 1 254.324 2.095 20 0 CEADMP COc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1OC ZINC000422700222 394726652 /nfs/dbraw/zinc/72/66/52/394726652.db2.gz BTHUDWMZMMBPFH-GXTWGEPZSA-N 2 1 278.396 2.182 20 0 CEADMP CCOC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414692713 394748342 /nfs/dbraw/zinc/74/83/42/394748342.db2.gz KWYOKFFDEJQZLE-RBSFLKMASA-N 2 1 254.418 2.123 20 0 CEADMP CN(C)Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])ccc1F ZINC000422740206 394751112 /nfs/dbraw/zinc/75/11/12/394751112.db2.gz BBJFRUNDHQFSJE-CZUORRHYSA-N 2 1 279.403 2.104 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422745154 394755552 /nfs/dbraw/zinc/75/55/52/394755552.db2.gz UPWLZBLRQVPGNE-SJORKVTESA-N 3 1 275.440 2.355 20 0 CEADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000422747973 394756274 /nfs/dbraw/zinc/75/62/74/394756274.db2.gz ZZTAMCARAODTSB-TUAOUCFPSA-N 2 1 297.468 2.283 20 0 CEADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000422747442 394756402 /nfs/dbraw/zinc/75/64/02/394756402.db2.gz YRKFENGXVAVTKH-MAUKXSAKSA-N 2 1 289.467 2.266 20 0 CEADMP Cc1ccccc1OCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422746795 394756605 /nfs/dbraw/zinc/75/66/05/394756605.db2.gz XLYPBUFGTKDZJH-GJZGRUSLSA-N 2 1 262.397 2.494 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000414830116 394757937 /nfs/dbraw/zinc/75/79/37/394757937.db2.gz BVGLFBFUHNARSG-LBPRGKRZSA-N 2 1 258.369 2.022 20 0 CEADMP Cc1[nH]nc2ncc(C[NH2+][C@H](C[NH3+])C3CCCCC3)cc12 ZINC000414835786 394761628 /nfs/dbraw/zinc/76/16/28/394761628.db2.gz HUVKTBWAIXCCSJ-OAHLLOKOSA-N 2 1 287.411 2.264 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(OC)c1OC(F)F ZINC000414839175 394763570 /nfs/dbraw/zinc/76/35/70/394763570.db2.gz LXNFMRGKFDUWPB-JTQLQIEISA-N 2 1 288.338 2.242 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)CC1CCOCC1 ZINC000414954833 394822969 /nfs/dbraw/zinc/82/29/69/394822969.db2.gz NJIQMGNCEYGHQN-YDHLFZDLSA-N 2 1 254.418 2.169 20 0 CEADMP CCn1nc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000414846182 394767897 /nfs/dbraw/zinc/76/78/97/394767897.db2.gz DSUXATSHZGCRON-CYBMUJFWSA-N 2 1 272.396 2.145 20 0 CEADMP CC[C@@H]([NH2+]CCc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000422767759 394770195 /nfs/dbraw/zinc/77/01/95/394770195.db2.gz RMCZFQFCXNICCO-CABCVRRESA-N 2 1 250.361 2.488 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422769143 394771376 /nfs/dbraw/zinc/77/13/76/394771376.db2.gz UOTLFXCZHFRIGG-KBAYOESNSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000422769143 394771381 /nfs/dbraw/zinc/77/13/81/394771381.db2.gz UOTLFXCZHFRIGG-KBAYOESNSA-N 2 1 287.451 2.239 20 0 CEADMP Cc1ccc(CCC[NH2+]CCC[NH2+]Cc2cccnc2)cn1 ZINC000414856466 394773952 /nfs/dbraw/zinc/77/39/52/394773952.db2.gz AJCKYHAQYSLVBQ-UHFFFAOYSA-N 2 1 298.434 2.487 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000422775671 394775814 /nfs/dbraw/zinc/77/58/14/394775814.db2.gz BBLDLFZKJPBIIN-ZOBORPQBSA-N 2 1 252.402 2.064 20 0 CEADMP C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414865783 394777741 /nfs/dbraw/zinc/77/77/41/394777741.db2.gz ZUMLNDDLNUXIBQ-GOEBONIOSA-N 2 1 284.407 2.350 20 0 CEADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422778164 394777857 /nfs/dbraw/zinc/77/78/57/394777857.db2.gz AHBFQNYRJKFNRX-ZDUSSCGKSA-N 2 1 298.434 2.246 20 0 CEADMP COc1ccsc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414871352 394780990 /nfs/dbraw/zinc/78/09/90/394780990.db2.gz DTIAAFXLEKTSMY-UHFFFAOYSA-N 2 1 291.420 2.421 20 0 CEADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414873477 394782101 /nfs/dbraw/zinc/78/21/01/394782101.db2.gz XRIMBCXIPRECEB-GJZGRUSLSA-N 2 1 292.423 2.367 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C12CCC2 ZINC000422786529 394784660 /nfs/dbraw/zinc/78/46/60/394784660.db2.gz SKFVWFMPMLHRRP-KBUPBQIOSA-N 2 1 266.429 2.454 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])N1CCC(C)CC1 ZINC000422786806 394785157 /nfs/dbraw/zinc/78/51/57/394785157.db2.gz QWROSVCMIFUBHH-OWCLPIDISA-N 2 1 267.461 2.356 20 0 CEADMP CC(C)COCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422794060 394791709 /nfs/dbraw/zinc/79/17/09/394791709.db2.gz YESAWHYZAAKXGX-GFCCVEGCSA-N 2 1 251.374 2.207 20 0 CEADMP CC(C)Cn1ccnc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422794214 394791720 /nfs/dbraw/zinc/79/17/20/394791720.db2.gz YVOVLVOGUHBTNE-KGLIPLIRSA-N 2 1 264.417 2.146 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000422810968 394803218 /nfs/dbraw/zinc/80/32/18/394803218.db2.gz SQIOURMFYHXOIH-QAPCUYQASA-N 2 1 287.451 2.022 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000360686558 394805800 /nfs/dbraw/zinc/80/58/00/394805800.db2.gz XITSGEIKXCUNHS-PMPSAXMXSA-N 2 1 268.445 2.200 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000414959209 394825383 /nfs/dbraw/zinc/82/53/83/394825383.db2.gz PVNWNMKRBRRZJF-MLGOLLRUSA-N 2 1 288.370 2.099 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422816809 394808658 /nfs/dbraw/zinc/80/86/58/394808658.db2.gz BNAOFVHMOQTGSF-TZMCWYRMSA-N 2 1 290.407 2.281 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000422821887 394812039 /nfs/dbraw/zinc/81/20/39/394812039.db2.gz ZCBPZXODVCGIFZ-HOTGVXAUSA-N 2 1 288.439 2.431 20 0 CEADMP C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1c[nH+]ccc1N ZINC000422823103 394812366 /nfs/dbraw/zinc/81/23/66/394812366.db2.gz LDPFQHXZBPNGEZ-CQDKDKBSSA-N 2 1 263.385 2.086 20 0 CEADMP COc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc(OC)c1 ZINC000415046656 394862873 /nfs/dbraw/zinc/86/28/73/394862873.db2.gz CYXMBJWAYBASQZ-CQSZACIVSA-N 2 1 266.385 2.167 20 0 CEADMP COC(=O)C1([N@H+](C)CCCCn2cc[nH+]c2C)CCCC1 ZINC000129300827 394863070 /nfs/dbraw/zinc/86/30/70/394863070.db2.gz SSOIKQFXJRETOJ-UHFFFAOYSA-N 2 1 293.411 2.389 20 0 CEADMP COC(=O)C1([N@@H+](C)CCCCn2cc[nH+]c2C)CCCC1 ZINC000129300827 394863071 /nfs/dbraw/zinc/86/30/71/394863071.db2.gz SSOIKQFXJRETOJ-UHFFFAOYSA-N 2 1 293.411 2.389 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1cccc(Cl)c1 ZINC000422925151 394864277 /nfs/dbraw/zinc/86/42/77/394864277.db2.gz ZUTCFHHCOZWGAM-BFHYXJOUSA-N 2 1 268.788 2.497 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)CCO1 ZINC000415055624 394867632 /nfs/dbraw/zinc/86/76/32/394867632.db2.gz OMLMPLBHUQEKDK-LXTVHRRPSA-N 2 1 254.418 2.108 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422944657 394867824 /nfs/dbraw/zinc/86/78/24/394867824.db2.gz LUJNVJXQVYXRSE-NEPJUHHUSA-N 2 1 256.296 2.257 20 0 CEADMP CCC[C@@H](CC)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415061941 394869482 /nfs/dbraw/zinc/86/94/82/394869482.db2.gz ZGTOAJGHUNMTAT-QQFBHYJXSA-N 2 1 267.461 2.371 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415069402 394873397 /nfs/dbraw/zinc/87/33/97/394873397.db2.gz SLTGVPLWNTZXBP-HNNXBMFYSA-N 2 1 276.380 2.080 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415071020 394874316 /nfs/dbraw/zinc/87/43/16/394874316.db2.gz SBFNMCQOTQAAEK-ZFWWWQNUSA-N 2 1 262.397 2.358 20 0 CEADMP CC(C)COCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336806349 394877760 /nfs/dbraw/zinc/87/77/60/394877760.db2.gz VDXYKSRNDTYJIO-INIZCTEOSA-N 2 1 268.445 2.323 20 0 CEADMP CC(C)COCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336806349 394877763 /nfs/dbraw/zinc/87/77/63/394877763.db2.gz VDXYKSRNDTYJIO-INIZCTEOSA-N 2 1 268.445 2.323 20 0 CEADMP CC(C)COCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336806349 394877765 /nfs/dbraw/zinc/87/77/65/394877765.db2.gz VDXYKSRNDTYJIO-INIZCTEOSA-N 2 1 268.445 2.323 20 0 CEADMP CC(C)COCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336806349 394877768 /nfs/dbraw/zinc/87/77/68/394877768.db2.gz VDXYKSRNDTYJIO-INIZCTEOSA-N 2 1 268.445 2.323 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CCCO3)CC[NH2+]2)cc1 ZINC000415076541 394877867 /nfs/dbraw/zinc/87/78/67/394877867.db2.gz CTXPNEOSUAFLDW-OAGGEKHMSA-N 2 1 260.381 2.248 20 0 CEADMP CCc1noc(CC)c1C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415077481 394878309 /nfs/dbraw/zinc/87/83/09/394878309.db2.gz FHHVARCJJGTBLG-NEPJUHHUSA-N 2 1 265.401 2.420 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC[NH2+]1 ZINC000414962783 394827286 /nfs/dbraw/zinc/82/72/86/394827286.db2.gz ZZMGZKBIIJFKFF-YOEHRIQHSA-N 2 1 284.407 2.162 20 0 CEADMP CC(C)Cc1ncc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)s1 ZINC000414966967 394829324 /nfs/dbraw/zinc/82/93/24/394829324.db2.gz XDKNGXMRTPAEFA-DGCLKSJQSA-N 2 1 267.442 2.429 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000278369961 394829664 /nfs/dbraw/zinc/82/96/64/394829664.db2.gz SJEIFXPXXVHKNB-INIZCTEOSA-N 2 1 293.411 2.103 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000278369961 394829668 /nfs/dbraw/zinc/82/96/68/394829668.db2.gz SJEIFXPXXVHKNB-INIZCTEOSA-N 2 1 293.411 2.103 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)N(C)c1ccccc1 ZINC000422854831 394832049 /nfs/dbraw/zinc/83/20/49/394832049.db2.gz DEIDGJWUATWRAI-YCPHGPKFSA-N 2 1 261.413 2.241 20 0 CEADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414979879 394834475 /nfs/dbraw/zinc/83/44/75/394834475.db2.gz VBNGTXIRAJUIQQ-ARFHVFGLSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000361804382 394835684 /nfs/dbraw/zinc/83/56/84/394835684.db2.gz MWRVACHUWIZKDJ-ILXRZTDVSA-N 2 1 268.445 2.248 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000422864341 394836931 /nfs/dbraw/zinc/83/69/31/394836931.db2.gz UULBQCLPLIULLY-FVQBIDKESA-N 2 1 265.445 2.253 20 0 CEADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422868109 394839254 /nfs/dbraw/zinc/83/92/54/394839254.db2.gz ULGLBKDUHFJATK-JKSUJKDBSA-N 2 1 289.423 2.186 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)[C@H](C)[NH3+] ZINC000415003207 394844431 /nfs/dbraw/zinc/84/44/31/394844431.db2.gz FNEWNHICBJDQHN-NWDGAFQWSA-N 2 1 272.352 2.094 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422877327 394844963 /nfs/dbraw/zinc/84/49/63/394844963.db2.gz HRCIVRUWLQVOFK-ARFHVFGLSA-N 3 1 267.461 2.371 20 0 CEADMP C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422877327 394844964 /nfs/dbraw/zinc/84/49/64/394844964.db2.gz HRCIVRUWLQVOFK-ARFHVFGLSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422877327 394844965 /nfs/dbraw/zinc/84/49/65/394844965.db2.gz HRCIVRUWLQVOFK-ARFHVFGLSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000415006551 394846397 /nfs/dbraw/zinc/84/63/97/394846397.db2.gz KNJZAOWXERRKSS-ZIAGYGMSSA-N 2 1 285.391 2.486 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1Br ZINC000415008107 394847351 /nfs/dbraw/zinc/84/73/51/394847351.db2.gz MKJPTCPFAXTVFE-IUCAKERBSA-N 2 1 287.201 2.283 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000415012595 394848713 /nfs/dbraw/zinc/84/87/13/394848713.db2.gz SUHUYPXFGOCRHE-RKDXNWHRSA-N 2 1 262.275 2.411 20 0 CEADMP COc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1SC ZINC000415013025 394849442 /nfs/dbraw/zinc/84/94/42/394849442.db2.gz ULLPGIHEAAZNJP-NXEZZACHSA-N 2 1 254.399 2.242 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422886784 394850296 /nfs/dbraw/zinc/85/02/96/394850296.db2.gz XRGGTYDDGZZYGC-IXDOHACOSA-N 3 1 281.488 2.476 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422885873 394850455 /nfs/dbraw/zinc/85/04/55/394850455.db2.gz HMXZGNLOZAGYLB-XUWVNRHRSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422885873 394850459 /nfs/dbraw/zinc/85/04/59/394850459.db2.gz HMXZGNLOZAGYLB-XUWVNRHRSA-N 2 1 267.461 2.356 20 0 CEADMP CC(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415033771 394856593 /nfs/dbraw/zinc/85/65/93/394856593.db2.gz HEIUIZOZAHDHQF-MRXNPFEDSA-N 2 1 262.397 2.278 20 0 CEADMP Cc1csc(CCCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000422909587 394858103 /nfs/dbraw/zinc/85/81/03/394858103.db2.gz OJBLESJCGWXTHP-WCQYABFASA-N 2 1 267.442 2.362 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000423028352 394884509 /nfs/dbraw/zinc/88/45/09/394884509.db2.gz GEEHBKBSJQTTMO-IUODEOHRSA-N 2 1 265.376 2.215 20 0 CEADMP COCCOc1ccc(C[NH2+]C[C@H]([NH3+])CC(C)C)cc1 ZINC000415092947 394886921 /nfs/dbraw/zinc/88/69/21/394886921.db2.gz UKDMKWFPDMFMPY-OAHLLOKOSA-N 2 1 280.412 2.175 20 0 CEADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000364343557 394893920 /nfs/dbraw/zinc/89/39/20/394893920.db2.gz OSUMFZSWCNHOOT-BZUAXINKSA-N 2 1 266.429 2.432 20 0 CEADMP CN(CC[NH3+])CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000415101871 394890500 /nfs/dbraw/zinc/89/05/00/394890500.db2.gz CYYXZJVRTGOIMG-UHFFFAOYSA-N 2 1 263.429 2.035 20 0 CEADMP COc1cc(C)c([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1OC ZINC000423340132 394891214 /nfs/dbraw/zinc/89/12/14/394891214.db2.gz WYHIVDRIRMVBBQ-GHMZBOCLSA-N 2 1 252.358 2.010 20 0 CEADMP CC(C)[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](C)[NH3+] ZINC000423336516 394891442 /nfs/dbraw/zinc/89/14/42/394891442.db2.gz SWRKLNQJTOFVKI-QKPAOTATSA-N 2 1 297.487 2.090 20 0 CEADMP CC[C@@H](C[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000415105129 394891526 /nfs/dbraw/zinc/89/15/26/394891526.db2.gz HXTNMIZJWGWGAD-GOEBONIOSA-N 2 1 262.397 2.230 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC23CCC3)CCCO1 ZINC000337398145 394891796 /nfs/dbraw/zinc/89/17/96/394891796.db2.gz CHUDIEITNCFSCF-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC23CCC3)CCCO1 ZINC000337398145 394891799 /nfs/dbraw/zinc/89/17/99/394891799.db2.gz CHUDIEITNCFSCF-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]C(C)(C)C)c2ccccc2C1 ZINC000415106865 394892415 /nfs/dbraw/zinc/89/24/15/394892415.db2.gz OEPOUDBZNCEEIQ-UHFFFAOYSA-N 2 1 261.413 2.327 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccncc1F ZINC000423347747 394895449 /nfs/dbraw/zinc/89/54/49/394895449.db2.gz RYJBDVXIJWBCSE-RISCZKNCSA-N 2 1 251.349 2.261 20 0 CEADMP c1ccc(C[NH+]2CCC([NH2+]CC3=CC[NH2+]CC3)CC2)cc1 ZINC000423349222 394897273 /nfs/dbraw/zinc/89/72/73/394897273.db2.gz WDIOWDNKGHUAEA-UHFFFAOYSA-N 3 1 285.435 2.160 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1(CC)CC ZINC000423353418 394897724 /nfs/dbraw/zinc/89/77/24/394897724.db2.gz DBYVGXKXIAPQKC-RDBSUJKOSA-N 2 1 254.418 2.312 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000415125380 394897959 /nfs/dbraw/zinc/89/79/59/394897959.db2.gz LBFAASMJVOZAOS-QWHCGFSZSA-N 2 1 296.484 2.406 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000415125380 394897965 /nfs/dbraw/zinc/89/79/65/394897965.db2.gz LBFAASMJVOZAOS-QWHCGFSZSA-N 2 1 296.484 2.406 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1C ZINC000415124318 394898327 /nfs/dbraw/zinc/89/83/27/394898327.db2.gz KCAACEGUKJVENU-WFASDCNBSA-N 2 1 262.397 2.420 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2ccnn2-c2ccccc2)C[C@H]1C[NH3+] ZINC000415135994 394901181 /nfs/dbraw/zinc/90/11/81/394901181.db2.gz WXAYBWUKYRVQQX-HUUCEWRRSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2)C[C@H]1C[NH3+] ZINC000415135994 394901185 /nfs/dbraw/zinc/90/11/85/394901185.db2.gz WXAYBWUKYRVQQX-HUUCEWRRSA-N 2 1 284.407 2.289 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@@H](OCC)C12CCCC2 ZINC000423367440 394903483 /nfs/dbraw/zinc/90/34/83/394903483.db2.gz ALPLIMHVCVSHQE-HZSPNIEDSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc3OC2)CC[N@@H+]1C ZINC000338010615 394903657 /nfs/dbraw/zinc/90/36/57/394903657.db2.gz ZLQNSNUOGRTMBV-FVQBIDKESA-N 2 1 274.408 2.453 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc3OC2)CC[N@H+]1C ZINC000338010615 394903662 /nfs/dbraw/zinc/90/36/62/394903662.db2.gz ZLQNSNUOGRTMBV-FVQBIDKESA-N 2 1 274.408 2.453 20 0 CEADMP CC[NH2+][C@H](C)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423373603 394905674 /nfs/dbraw/zinc/90/56/74/394905674.db2.gz HKUJQGXCRKUHEB-NUJGCVRESA-N 2 1 289.467 2.485 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000423392248 394911797 /nfs/dbraw/zinc/91/17/97/394911797.db2.gz LOHICHXLUGJSKW-KMUNFCNLSA-N 2 1 263.360 2.259 20 0 CEADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423431454 394921284 /nfs/dbraw/zinc/92/12/84/394921284.db2.gz VKEPEPIBOJILID-DDBAPUKQSA-N 2 1 289.467 2.300 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000423456586 394924695 /nfs/dbraw/zinc/92/46/95/394924695.db2.gz DRPXSRNUALOFJZ-WCQYABFASA-N 2 1 264.369 2.018 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423486081 394932539 /nfs/dbraw/zinc/93/25/39/394932539.db2.gz AZMNDHIHDUJFCI-WWGRRREGSA-N 2 1 295.858 2.325 20 0 CEADMP Cc1cc(N)cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000423489643 394933634 /nfs/dbraw/zinc/93/36/34/394933634.db2.gz WPQXEILWYZUTOF-XJKCOSOUSA-N 2 1 261.413 2.396 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cs1 ZINC000423492257 394933969 /nfs/dbraw/zinc/93/39/69/394933969.db2.gz MKQPWXGYPJHIGA-AAEUAGOBSA-N 2 1 254.399 2.086 20 0 CEADMP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CC2 ZINC000423490629 394934032 /nfs/dbraw/zinc/93/40/32/394934032.db2.gz IIKWVQKCVUOSOP-UKRRQHHQSA-N 2 1 280.799 2.295 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(F)c1 ZINC000423491362 394934534 /nfs/dbraw/zinc/93/45/34/394934534.db2.gz JJMHQUUTZCZRGP-GJZGRUSLSA-N 2 1 266.360 2.245 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)s1 ZINC000423498760 394936056 /nfs/dbraw/zinc/93/60/56/394936056.db2.gz CAMAUKUKDUJTSO-NEPJUHHUSA-N 2 1 254.399 2.086 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CC12CCSCC2 ZINC000423564757 394952363 /nfs/dbraw/zinc/95/23/63/394952363.db2.gz YEETZDTWSWHUCG-FRRDWIJNSA-N 2 1 254.443 2.107 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1nncn1C ZINC000340232983 394981552 /nfs/dbraw/zinc/98/15/52/394981552.db2.gz VWFLWLFVUQZJJN-BPUTZDHNSA-N 2 1 299.422 2.301 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C)COC2)C[C@@H]1c1ccccc1 ZINC000340232856 394982304 /nfs/dbraw/zinc/98/23/04/394982304.db2.gz BCBYWYKBDNQGDM-HZPDHXFCSA-N 2 1 274.408 2.448 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)COC2)C[C@@H]1c1ccccc1 ZINC000340232856 394982305 /nfs/dbraw/zinc/98/23/05/394982305.db2.gz BCBYWYKBDNQGDM-HZPDHXFCSA-N 2 1 274.408 2.448 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](CC2CC2)CC1 ZINC000340293170 394983226 /nfs/dbraw/zinc/98/32/26/394983226.db2.gz XMAOLLDDAUTNBE-KRWDZBQOSA-N 2 1 279.472 2.277 20 0 CEADMP COC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)OC ZINC000340350557 394983712 /nfs/dbraw/zinc/98/37/12/394983712.db2.gz OJRITGLWLREFIH-IKGGRYGDSA-N 2 1 292.423 2.073 20 0 CEADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)OC ZINC000340350557 394983716 /nfs/dbraw/zinc/98/37/16/394983716.db2.gz OJRITGLWLREFIH-IKGGRYGDSA-N 2 1 292.423 2.073 20 0 CEADMP C(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CC[NH+]1CCCC1 ZINC000340475365 394986121 /nfs/dbraw/zinc/98/61/21/394986121.db2.gz ACKIILFVZXKLJL-SJORKVTESA-N 3 1 279.472 2.469 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)C1CCCCC1 ZINC000340487133 394986867 /nfs/dbraw/zinc/98/68/67/394986867.db2.gz YHXLGCIJLWYTIO-SRABZTEZSA-N 2 1 282.472 2.494 20 0 CEADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000339409018 394958103 /nfs/dbraw/zinc/95/81/03/394958103.db2.gz WBRMPMHNQPOBNI-GOSISDBHSA-N 2 1 289.467 2.153 20 0 CEADMP CC(C)COCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339441454 394961410 /nfs/dbraw/zinc/96/14/10/394961410.db2.gz OSEHCNZJTXEMIX-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CC(C)COCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339441454 394961412 /nfs/dbraw/zinc/96/14/12/394961412.db2.gz OSEHCNZJTXEMIX-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CC(C)COCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339441454 394961413 /nfs/dbraw/zinc/96/14/13/394961413.db2.gz OSEHCNZJTXEMIX-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cnc2n1CCCC2 ZINC000367437387 394963191 /nfs/dbraw/zinc/96/31/91/394963191.db2.gz IVRBIXDDZINZJR-VNHYZAJKSA-N 2 1 276.428 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cnc2n1CCCC2 ZINC000367437387 394963194 /nfs/dbraw/zinc/96/31/94/394963194.db2.gz IVRBIXDDZINZJR-VNHYZAJKSA-N 2 1 276.428 2.038 20 0 CEADMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367607770 394967023 /nfs/dbraw/zinc/96/70/23/394967023.db2.gz OZBYZJAZOAENCC-BRWVUGGUSA-N 2 1 279.472 2.322 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000423752571 394975798 /nfs/dbraw/zinc/97/57/98/394975798.db2.gz AVFCTDMMSOIXRW-UONOGXRCSA-N 2 1 285.476 2.247 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000423764954 394979863 /nfs/dbraw/zinc/97/98/63/394979863.db2.gz UECFHAGXPJBLQC-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000373514420 395062782 /nfs/dbraw/zinc/06/27/82/395062782.db2.gz GORSFMMXABYYEA-HZPDHXFCSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](O)c1ccccc1 ZINC000290378044 395100866 /nfs/dbraw/zinc/10/08/66/395100866.db2.gz ROFVWAQDYOFIHO-UGQVUOCMSA-N 2 1 262.397 2.181 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](O)c1ccccc1 ZINC000290378044 395100870 /nfs/dbraw/zinc/10/08/70/395100870.db2.gz ROFVWAQDYOFIHO-UGQVUOCMSA-N 2 1 262.397 2.181 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)[C@H](C)C1 ZINC000162328678 395073243 /nfs/dbraw/zinc/07/32/43/395073243.db2.gz YUQYOKBYXZPATL-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1noc(C)c1CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000162613429 395076964 /nfs/dbraw/zinc/07/69/64/395076964.db2.gz MJNSMRUYMZRVLA-UHFFFAOYSA-N 2 1 276.384 2.361 20 0 CEADMP Cc1noc(C)c1CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000162613429 395076969 /nfs/dbraw/zinc/07/69/69/395076969.db2.gz MJNSMRUYMZRVLA-UHFFFAOYSA-N 2 1 276.384 2.361 20 0 CEADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+]1CCCCC1 ZINC000426784687 395079787 /nfs/dbraw/zinc/07/97/87/395079787.db2.gz NHLOSXGVWHNJQY-JKSUJKDBSA-N 2 1 297.487 2.342 20 0 CEADMP Cc1ccccc1[C@@H]1C[N@@H+](CCn2ccnc2)CCO1 ZINC000163140489 395081819 /nfs/dbraw/zinc/08/18/19/395081819.db2.gz BVMOINRSAFXWRM-INIZCTEOSA-N 2 1 271.364 2.265 20 0 CEADMP Cc1ccccc1[C@@H]1CN(CCn2ccnc2)CCO1 ZINC000163140489 395081822 /nfs/dbraw/zinc/08/18/22/395081822.db2.gz BVMOINRSAFXWRM-INIZCTEOSA-N 2 1 271.364 2.265 20 0 CEADMP CC[C@@H](O)C[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000346981719 395116640 /nfs/dbraw/zinc/11/66/40/395116640.db2.gz PHVWTHYLNZAHLM-QGZVFWFLSA-N 2 1 276.424 2.259 20 0 CEADMP CC[N@H+]1CCC[C@H](CNCc2cncc(F)c2)C1 ZINC000494546587 395119431 /nfs/dbraw/zinc/11/94/31/395119431.db2.gz IFWVFPXMDNYOJU-GFCCVEGCSA-N 2 1 251.349 2.042 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000494546587 395119434 /nfs/dbraw/zinc/11/94/34/395119434.db2.gz IFWVFPXMDNYOJU-GFCCVEGCSA-N 2 1 251.349 2.042 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000494546587 395119438 /nfs/dbraw/zinc/11/94/38/395119438.db2.gz IFWVFPXMDNYOJU-GFCCVEGCSA-N 2 1 251.349 2.042 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427323848 395104596 /nfs/dbraw/zinc/10/45/96/395104596.db2.gz XWYCIARDLXOKPL-OWCLPIDISA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@H](C(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)[NH+](CC)CC ZINC000346780887 395107451 /nfs/dbraw/zinc/10/74/51/395107451.db2.gz XACKKHAVUZQYJE-SOUVJXGZSA-N 2 1 283.460 2.048 20 0 CEADMP Fc1cccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428042796 395135814 /nfs/dbraw/zinc/13/58/14/395135814.db2.gz WMFLFPOSWPJIOM-HOCLYGCPSA-N 2 1 262.372 2.442 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428034315 395134041 /nfs/dbraw/zinc/13/40/41/395134041.db2.gz NYSPJGPQPHJLIF-WBVHZDCISA-N 2 1 274.408 2.312 20 0 CEADMP CCn1cncc1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000417863682 395150814 /nfs/dbraw/zinc/15/08/14/395150814.db2.gz GGXNGDYIKUPHBO-HUUCEWRRSA-N 2 1 278.444 2.361 20 0 CEADMP CO[C@@H](C[N@@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000379178188 395161892 /nfs/dbraw/zinc/16/18/92/395161892.db2.gz FWWNIYYNXLEPFU-AWEZNQCLSA-N 2 1 250.386 2.291 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](Cc2cocn2)CC1 ZINC000432742849 395177968 /nfs/dbraw/zinc/17/79/68/395177968.db2.gz VOYFPEKFVGYKNB-UHFFFAOYSA-N 2 1 251.374 2.228 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CCCC[NH3+])C[C@@H]1C ZINC000418670954 395233360 /nfs/dbraw/zinc/23/33/60/395233360.db2.gz KMWPBYISOLYITE-ILXRZTDVSA-N 2 1 298.475 2.018 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000439007110 395243567 /nfs/dbraw/zinc/24/35/67/395243567.db2.gz YDZGOXKGDFULDN-RRFJBIMHSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@H](C[NH2+]CC[C@H]1CCOC1)[NH+]1CCC(C)CC1 ZINC000438213177 395213200 /nfs/dbraw/zinc/21/32/00/395213200.db2.gz NBLFRCYSTHFISG-CABCVRRESA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396563247 395216503 /nfs/dbraw/zinc/21/65/03/395216503.db2.gz IVQXBWZRNWTRJC-LALPHHSUSA-N 2 1 250.361 2.487 20 0 CEADMP OC1(CC[NH+]2CCC([NH+]3CCCCC3)CC2)CCC1 ZINC000396760922 395218330 /nfs/dbraw/zinc/21/83/30/395218330.db2.gz JQOKJLAWLVLBBA-UHFFFAOYSA-N 2 1 266.429 2.242 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000181692982 395222999 /nfs/dbraw/zinc/22/29/99/395222999.db2.gz KFUBVWQCGHWZGM-TUUVXOQKSA-N 2 1 289.423 2.375 20 0 CEADMP Cc1ncc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)s1 ZINC000397312595 395223164 /nfs/dbraw/zinc/22/31/64/395223164.db2.gz PHAVDQJRZPPEIU-UMNHJUIQSA-N 2 1 253.415 2.257 20 0 CEADMP COCc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])o1 ZINC000404266095 395281673 /nfs/dbraw/zinc/28/16/73/395281673.db2.gz HNOTUECXXDGMRV-WFASDCNBSA-N 2 1 266.385 2.375 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000420325438 395327703 /nfs/dbraw/zinc/32/77/03/395327703.db2.gz WNOORZKNUQRUEM-PMPSAXMXSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000420325438 395327705 /nfs/dbraw/zinc/32/77/05/395327705.db2.gz WNOORZKNUQRUEM-PMPSAXMXSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000420325438 395327707 /nfs/dbraw/zinc/32/77/07/395327707.db2.gz WNOORZKNUQRUEM-PMPSAXMXSA-N 3 1 267.461 2.181 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000420325438 395327708 /nfs/dbraw/zinc/32/77/08/395327708.db2.gz WNOORZKNUQRUEM-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)(C)c1cc(C[NH+]2CCC(C[NH3+])CC2)no1 ZINC000420275441 395288680 /nfs/dbraw/zinc/28/86/80/395288680.db2.gz PYSXQRUKTHFXSY-UHFFFAOYSA-N 2 1 251.374 2.143 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000353156505 395289387 /nfs/dbraw/zinc/28/93/87/395289387.db2.gz YUFJOWKOACQIIW-HNNXBMFYSA-N 2 1 283.460 2.096 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000420325438 395327709 /nfs/dbraw/zinc/32/77/09/395327709.db2.gz WNOORZKNUQRUEM-PMPSAXMXSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1ccc(OCC[N@H+](C)CC[C@H]2CC[NH2+]C2)cc1 ZINC000420296407 395302116 /nfs/dbraw/zinc/30/21/16/395302116.db2.gz BVGWALCCRWYODT-OAHLLOKOSA-N 2 1 262.397 2.305 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](C)[C@H]2C)cc1 ZINC000420297529 395304004 /nfs/dbraw/zinc/30/40/04/395304004.db2.gz GDDCRVYDNPRGPG-GZBFAFLISA-N 2 1 262.397 2.468 20 0 CEADMP Clc1ccccc1[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420302198 395307374 /nfs/dbraw/zinc/30/73/74/395307374.db2.gz JHBVMWYJJFUFMI-INIZCTEOSA-N 2 1 293.842 2.382 20 0 CEADMP C[NH+](C)CCC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000440332451 395312303 /nfs/dbraw/zinc/31/23/03/395312303.db2.gz ALRMMWUOPXRQGN-UHFFFAOYSA-N 2 1 276.409 2.246 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CSC[C@H]2C)cn1 ZINC000296241916 395312606 /nfs/dbraw/zinc/31/26/06/395312606.db2.gz CRDVGEAGWRHFQN-BXUZGUMPSA-N 2 1 288.420 2.417 20 0 CEADMP CC[C@H]1C[C@H](C)C[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420309869 395314164 /nfs/dbraw/zinc/31/41/64/395314164.db2.gz UFOYKNAAJMAHBQ-HJWJTTGWSA-N 2 1 276.424 2.038 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(C)s1 ZINC000420309872 395314715 /nfs/dbraw/zinc/31/47/15/395314715.db2.gz OZUNXSLIPJQVSZ-ONGXEEELSA-N 2 1 282.409 2.012 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(C)s1 ZINC000420309872 395314719 /nfs/dbraw/zinc/31/47/19/395314719.db2.gz OZUNXSLIPJQVSZ-ONGXEEELSA-N 2 1 282.409 2.012 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420316302 395320054 /nfs/dbraw/zinc/32/00/54/395320054.db2.gz NFHKYKAYLJELPS-JKSUJKDBSA-N 2 1 274.408 2.169 20 0 CEADMP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@@H](C[NH3+])C1CC1 ZINC000420320141 395321469 /nfs/dbraw/zinc/32/14/69/395321469.db2.gz SWIKNSFRKKFTOE-AWEZNQCLSA-N 2 1 295.814 2.338 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@@H](C[NH3+])C1CC1 ZINC000420320141 395321474 /nfs/dbraw/zinc/32/14/74/395321474.db2.gz SWIKNSFRKKFTOE-AWEZNQCLSA-N 2 1 295.814 2.338 20 0 CEADMP COC(=O)[C@@H](c1ccsc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420317998 395322408 /nfs/dbraw/zinc/32/24/08/395322408.db2.gz VHJFNYHVPVAVLS-WCQYABFASA-N 2 1 282.409 2.023 20 0 CEADMP COC(=O)[C@@H](c1ccsc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420317998 395322412 /nfs/dbraw/zinc/32/24/12/395322412.db2.gz VHJFNYHVPVAVLS-WCQYABFASA-N 2 1 282.409 2.023 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000419319797 395256576 /nfs/dbraw/zinc/25/65/76/395256576.db2.gz ZWGKXBYPKYRGLX-LSDHHAIUSA-N 2 1 256.434 2.464 20 0 CEADMP CC(C)(C)CCN1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420320243 395323277 /nfs/dbraw/zinc/32/32/77/395323277.db2.gz PYBHUNOSMKZZHG-MRXNPFEDSA-N 2 1 281.488 2.430 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)s1 ZINC000420320153 395323350 /nfs/dbraw/zinc/32/33/50/395323350.db2.gz YKGGJABOEYKJEA-LLVKDONJSA-N 2 1 282.409 2.096 20 0 CEADMP CC[C@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)[NH+]1CCCC1 ZINC000151672361 289063954 /nfs/dbraw/zinc/06/39/54/289063954.db2.gz ISGOHRILDAQVSB-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCCO1 ZINC000439479021 395269058 /nfs/dbraw/zinc/26/90/58/395269058.db2.gz POACTWGLOZHKQC-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC000439479021 395269062 /nfs/dbraw/zinc/26/90/62/395269062.db2.gz POACTWGLOZHKQC-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC000439479021 395269066 /nfs/dbraw/zinc/26/90/66/395269066.db2.gz POACTWGLOZHKQC-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP C[C@H]([NH3+])C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000420320532 395324137 /nfs/dbraw/zinc/32/41/37/395324137.db2.gz QLYRVLYCCQSIOX-LBPRGKRZSA-N 2 1 250.361 2.427 20 0 CEADMP c1csc([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420320900 395324356 /nfs/dbraw/zinc/32/43/56/395324356.db2.gz QSQIMIGSOYTJNH-STQMWFEESA-N 2 1 265.426 2.322 20 0 CEADMP CC[NH+](CC)CCCC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000420367861 395355288 /nfs/dbraw/zinc/35/52/88/395355288.db2.gz WIPROTWKJLUJQW-AWEZNQCLSA-N 3 1 255.450 2.168 20 0 CEADMP CC[NH+](CC)CCCC1CC[NH+](C[C@H](C)N)CC1 ZINC000420367861 395355292 /nfs/dbraw/zinc/35/52/92/395355292.db2.gz WIPROTWKJLUJQW-AWEZNQCLSA-N 2 1 255.450 2.168 20 0 CEADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)[nH]n1 ZINC000440798481 395358861 /nfs/dbraw/zinc/35/88/61/395358861.db2.gz HNJOEXVJQKTDRX-SECBINFHSA-N 2 1 288.317 2.002 20 0 CEADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)[nH]n1 ZINC000440798481 395358865 /nfs/dbraw/zinc/35/88/65/395358865.db2.gz HNJOEXVJQKTDRX-SECBINFHSA-N 2 1 288.317 2.002 20 0 CEADMP C[NH2+]CCC[N@H+](C)CCOc1ccc(F)cc1Cl ZINC000420390905 395368023 /nfs/dbraw/zinc/36/80/23/395368023.db2.gz RQIJVHXTSGUUGM-UHFFFAOYSA-N 2 1 274.767 2.399 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCOc1ccc(F)cc1Cl ZINC000420390905 395368025 /nfs/dbraw/zinc/36/80/25/395368025.db2.gz RQIJVHXTSGUUGM-UHFFFAOYSA-N 2 1 274.767 2.399 20 0 CEADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420395478 395369220 /nfs/dbraw/zinc/36/92/20/395369220.db2.gz DKSSUAXYVBZZJD-QLFBSQMISA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420395478 395369221 /nfs/dbraw/zinc/36/92/21/395369221.db2.gz DKSSUAXYVBZZJD-QLFBSQMISA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)OCCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420395094 395369289 /nfs/dbraw/zinc/36/92/89/395369289.db2.gz KTPSQXAGPFQPFI-HUUCEWRRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CC[N@@H+](CCO[C@@H]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000420404170 395373128 /nfs/dbraw/zinc/37/31/28/395373128.db2.gz LTLOZPIDCAMIQA-KLHDSHLOSA-N 2 1 268.445 2.498 20 0 CEADMP C[C@H]1CC[N@@H+](CCc2nc3ccccc3n2C)C[C@@H]1C[NH3+] ZINC000420418086 395375243 /nfs/dbraw/zinc/37/52/43/395375243.db2.gz WVEKUWDOTMOTFD-KBPBESRZSA-N 2 1 286.423 2.033 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435624597 395378880 /nfs/dbraw/zinc/37/88/80/395378880.db2.gz XZMOKCHDRUNMCG-OAHLLOKOSA-N 2 1 293.386 2.228 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCCc1ccc(OC)cc1 ZINC000435880300 395393906 /nfs/dbraw/zinc/39/39/06/395393906.db2.gz OCWHWDJTQNDLPA-UHFFFAOYSA-N 2 1 250.386 2.169 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000442782534 395394647 /nfs/dbraw/zinc/39/46/47/395394647.db2.gz OHDNIZUZCCXEKK-VNHYZAJKSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000442782534 395394654 /nfs/dbraw/zinc/39/46/54/395394654.db2.gz OHDNIZUZCCXEKK-VNHYZAJKSA-N 2 1 289.423 2.245 20 0 CEADMP CC(C)c1noc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420326030 395327905 /nfs/dbraw/zinc/32/79/05/395327905.db2.gz JAODBMWBLOVOCY-CHWSQXEVSA-N 2 1 278.400 2.015 20 0 CEADMP CSc1ccccc1NC(=O)CC[N@@H+](C)C1CC([NH3+])C1 ZINC000420333502 395333422 /nfs/dbraw/zinc/33/34/22/395333422.db2.gz NXQHZRLYXUWXKW-UHFFFAOYSA-N 2 1 293.436 2.159 20 0 CEADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCOCCc1ccccc1 ZINC000420350527 395339684 /nfs/dbraw/zinc/33/96/84/395339684.db2.gz HFAGVQIFMPXZLB-HOCLYGCPSA-N 2 1 262.397 2.057 20 0 CEADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCOCCc1ccccc1 ZINC000420350527 395339690 /nfs/dbraw/zinc/33/96/90/395339690.db2.gz HFAGVQIFMPXZLB-HOCLYGCPSA-N 2 1 262.397 2.057 20 0 CEADMP COc1ccc(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420353996 395342260 /nfs/dbraw/zinc/34/22/60/395342260.db2.gz BDWYIOCDNSDTDG-KRWDZBQOSA-N 2 1 274.408 2.313 20 0 CEADMP C(C[N@H+]1CC[C@@H](C2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420357504 395345058 /nfs/dbraw/zinc/34/50/58/395345058.db2.gz HYXXSOBCKDKHCC-GOEBONIOSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@@H](C[N@@H+](C)CC[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000420359444 395346575 /nfs/dbraw/zinc/34/65/75/395346575.db2.gz KONUWBUYQXDZBZ-RYUDHWBXSA-N 2 1 253.415 2.178 20 0 CEADMP C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362650 395350007 /nfs/dbraw/zinc/35/00/07/395350007.db2.gz BAAXVBBNXLOWTA-LZLYRXPVSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362650 395350010 /nfs/dbraw/zinc/35/00/10/395350010.db2.gz BAAXVBBNXLOWTA-LZLYRXPVSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362650 395350014 /nfs/dbraw/zinc/35/00/14/395350014.db2.gz BAAXVBBNXLOWTA-LZLYRXPVSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362650 395350017 /nfs/dbraw/zinc/35/00/17/395350017.db2.gz BAAXVBBNXLOWTA-LZLYRXPVSA-N 2 1 291.483 2.325 20 0 CEADMP C(C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362650 395350021 /nfs/dbraw/zinc/35/00/21/395350021.db2.gz BAAXVBBNXLOWTA-LZLYRXPVSA-N 2 1 291.483 2.325 20 0 CEADMP C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362650 395350023 /nfs/dbraw/zinc/35/00/23/395350023.db2.gz BAAXVBBNXLOWTA-LZLYRXPVSA-N 2 1 291.483 2.325 20 0 CEADMP C(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420362650 395350027 /nfs/dbraw/zinc/35/00/27/395350027.db2.gz BAAXVBBNXLOWTA-LZLYRXPVSA-N 2 1 291.483 2.325 20 0 CEADMP C[C@H]([NH3+])C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000420364918 395351400 /nfs/dbraw/zinc/35/14/00/395351400.db2.gz RMOGZZOQVAFHHZ-LBPRGKRZSA-N 2 1 266.360 2.154 20 0 CEADMP C[C@H]([NH3+])C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000420364918 395351402 /nfs/dbraw/zinc/35/14/02/395351402.db2.gz RMOGZZOQVAFHHZ-LBPRGKRZSA-N 2 1 266.360 2.154 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCO[C@@H]2CCCCO2)CC1 ZINC000444601607 395439817 /nfs/dbraw/zinc/43/98/17/395439817.db2.gz FGJLMHXMXKUROP-MRXNPFEDSA-N 2 1 284.444 2.334 20 0 CEADMP CC(C)C[C@H](N)c1noc(C[C@@H](C)n2ccnc2)n1 ZINC000566310282 395512169 /nfs/dbraw/zinc/51/21/69/395512169.db2.gz HQGRBGVHQYFRQS-MNOVXSKESA-N 2 1 263.345 2.116 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000566418171 395520899 /nfs/dbraw/zinc/52/08/99/395520899.db2.gz CJFDXCFXJSCNNR-UAGQMJEPSA-N 2 1 276.424 2.177 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000566418171 395520900 /nfs/dbraw/zinc/52/09/00/395520900.db2.gz CJFDXCFXJSCNNR-UAGQMJEPSA-N 2 1 276.424 2.177 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000566418171 395520902 /nfs/dbraw/zinc/52/09/02/395520902.db2.gz CJFDXCFXJSCNNR-UAGQMJEPSA-N 2 1 276.424 2.177 20 0 CEADMP C[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000566025527 395496325 /nfs/dbraw/zinc/49/63/25/395496325.db2.gz YYHHKGMKKDDJBO-HUUCEWRRSA-N 2 1 299.422 2.260 20 0 CEADMP C[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000566025527 395496326 /nfs/dbraw/zinc/49/63/26/395496326.db2.gz YYHHKGMKKDDJBO-HUUCEWRRSA-N 2 1 299.422 2.260 20 0 CEADMP COc1nccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000573413924 395608079 /nfs/dbraw/zinc/60/80/79/395608079.db2.gz JGPFPFNITQMOHU-UHFFFAOYSA-N 2 1 292.427 2.037 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1O ZINC000568377585 395556144 /nfs/dbraw/zinc/55/61/44/395556144.db2.gz HGYPYERLZJFGJU-STQMWFEESA-N 2 1 278.396 2.393 20 0 CEADMP C[C@H](CC1CCCCC1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000573795726 395618301 /nfs/dbraw/zinc/61/83/01/395618301.db2.gz UVHVMGQATNYPQY-CJNGLKHVSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@H](CC1CCCCC1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000573795726 395618302 /nfs/dbraw/zinc/61/83/02/395618302.db2.gz UVHVMGQATNYPQY-CJNGLKHVSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000569093395 395573372 /nfs/dbraw/zinc/57/33/72/395573372.db2.gz PDKMCCVRNJGSCU-HUUCEWRRSA-N 3 1 267.461 2.086 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000451479348 395621437 /nfs/dbraw/zinc/62/14/37/395621437.db2.gz MQDHLGRDYHCYSL-LXTVHRRPSA-N 2 1 266.429 2.264 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000574096684 395626546 /nfs/dbraw/zinc/62/65/46/395626546.db2.gz DXQYGLBJXMXUSS-ZIAGYGMSSA-N 2 1 278.396 2.276 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000574414236 395629542 /nfs/dbraw/zinc/62/95/42/395629542.db2.gz LFTOSSZYQQTNIC-UHFFFAOYSA-N 2 1 275.396 2.226 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000574544212 395632227 /nfs/dbraw/zinc/63/22/27/395632227.db2.gz AQYOEBDSCOFUDF-BBRMVZONSA-N 2 1 282.391 2.231 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000574782076 395637545 /nfs/dbraw/zinc/63/75/45/395637545.db2.gz FCMSTQHMUXXKMI-HNNXBMFYSA-N 2 1 272.396 2.335 20 0 CEADMP CCSc1cccc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000647492690 395721258 /nfs/dbraw/zinc/72/12/58/395721258.db2.gz TUNUUBHQCAZVGU-UHFFFAOYSA-N 2 1 293.480 2.136 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)n1 ZINC000647498162 395721480 /nfs/dbraw/zinc/72/14/80/395721480.db2.gz BPNSIVTVUGLDTQ-TZMCWYRMSA-N 2 1 263.385 2.040 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)n1 ZINC000647498162 395721482 /nfs/dbraw/zinc/72/14/82/395721482.db2.gz BPNSIVTVUGLDTQ-TZMCWYRMSA-N 2 1 263.385 2.040 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccccc2NC(C)=O)CC[C@H]1[NH3+] ZINC000647498163 395722313 /nfs/dbraw/zinc/72/23/13/395722313.db2.gz BVYXPTJRYAMXAT-DZGCQCFKSA-N 2 1 275.396 2.204 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccccc2NC(C)=O)CC[C@H]1[NH3+] ZINC000647498163 395722316 /nfs/dbraw/zinc/72/23/16/395722316.db2.gz BVYXPTJRYAMXAT-DZGCQCFKSA-N 2 1 275.396 2.204 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cccc3c2OCCCO3)CC[C@H]1[NH3+] ZINC000647498966 395722761 /nfs/dbraw/zinc/72/27/61/395722761.db2.gz VHHGUOSQEVHZAQ-UKRRQHHQSA-N 2 1 290.407 2.407 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc3c2OCCCO3)CC[C@H]1[NH3+] ZINC000647498966 395722762 /nfs/dbraw/zinc/72/27/62/395722762.db2.gz VHHGUOSQEVHZAQ-UKRRQHHQSA-N 2 1 290.407 2.407 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc2cnccc21 ZINC000647508408 395723502 /nfs/dbraw/zinc/72/35/02/395723502.db2.gz MNOHIHONKSMKHA-QWHCGFSZSA-N 2 1 255.365 2.404 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000647534861 395728638 /nfs/dbraw/zinc/72/86/38/395728638.db2.gz YFLQAWFYKDTGRQ-LTIDMASMSA-N 2 1 256.393 2.474 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000647534861 395728639 /nfs/dbraw/zinc/72/86/39/395728639.db2.gz YFLQAWFYKDTGRQ-LTIDMASMSA-N 2 1 256.393 2.474 20 0 CEADMP Fc1cccc(O[C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000647538192 395729236 /nfs/dbraw/zinc/72/92/36/395729236.db2.gz IPLYVJDOKMUBSM-BBRMVZONSA-N 2 1 278.371 2.278 20 0 CEADMP COC(C)(C)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336805970 292055998 /nfs/dbraw/zinc/05/59/98/292055998.db2.gz YEAIJVZLDWSFHO-OAHLLOKOSA-N 2 1 268.445 2.465 20 0 CEADMP COC(C)(C)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336805970 292055999 /nfs/dbraw/zinc/05/59/99/292055999.db2.gz YEAIJVZLDWSFHO-OAHLLOKOSA-N 2 1 268.445 2.465 20 0 CEADMP COC(C)(C)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336805970 292056000 /nfs/dbraw/zinc/05/60/00/292056000.db2.gz YEAIJVZLDWSFHO-OAHLLOKOSA-N 2 1 268.445 2.465 20 0 CEADMP Fc1cccc(O[C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647538193 395729302 /nfs/dbraw/zinc/72/93/02/395729302.db2.gz IPLYVJDOKMUBSM-CJNGLKHVSA-N 2 1 278.371 2.278 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000647536786 395729647 /nfs/dbraw/zinc/72/96/47/395729647.db2.gz CMHNBBNRMZXBET-QGZVFWFLSA-N 2 1 290.407 2.279 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000647536786 395729650 /nfs/dbraw/zinc/72/96/50/395729650.db2.gz CMHNBBNRMZXBET-QGZVFWFLSA-N 2 1 290.407 2.279 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647542268 395730831 /nfs/dbraw/zinc/73/08/31/395730831.db2.gz BJERMMBWFMSOGB-KBMXLJTQSA-N 2 1 274.408 2.340 20 0 CEADMP c1ccc2c(c1)ccnc2C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000647542466 395731136 /nfs/dbraw/zinc/73/11/36/395731136.db2.gz SAARYDDOPKNABW-GOEBONIOSA-N 2 1 267.376 2.419 20 0 CEADMP c1ccc2c(c1)ccnc2C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000647542466 395731138 /nfs/dbraw/zinc/73/11/38/395731138.db2.gz SAARYDDOPKNABW-GOEBONIOSA-N 2 1 267.376 2.419 20 0 CEADMP C[C@@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C(C)(C)C ZINC000647545495 395731422 /nfs/dbraw/zinc/73/14/22/395731422.db2.gz YAUVFHOAWTTXDZ-UONOGXRCSA-N 2 1 268.445 2.356 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@H]3CCC[C@@H]([NH3+])C3)c2c1C ZINC000647707345 395747253 /nfs/dbraw/zinc/74/72/53/395747253.db2.gz GSHHUJZLDZSHID-MNOVXSKESA-N 2 1 259.357 2.257 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@@H]3CCC[C@H]([NH3+])C3)c2c1C ZINC000647707347 395747271 /nfs/dbraw/zinc/74/72/71/395747271.db2.gz GSHHUJZLDZSHID-WDEREUQCSA-N 2 1 259.357 2.257 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647786401 395754278 /nfs/dbraw/zinc/75/42/78/395754278.db2.gz OIXOGQOJPNBTLV-YYIAUSFCSA-N 3 1 279.472 2.085 20 0 CEADMP COc1ccccc1C1([NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000647802918 395757850 /nfs/dbraw/zinc/75/78/50/395757850.db2.gz ZDYVININPOUOJO-OLZOCXBDSA-N 2 1 260.381 2.272 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCC[C@H]2CC)CC[C@@H]1[NH3+] ZINC000647940300 395781464 /nfs/dbraw/zinc/78/14/64/395781464.db2.gz SNORTXGQKMFVTB-FPCVCCKLSA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCC[C@H]2CC)CC[C@@H]1[NH3+] ZINC000647940300 395781467 /nfs/dbraw/zinc/78/14/67/395781467.db2.gz SNORTXGQKMFVTB-FPCVCCKLSA-N 2 1 295.471 2.225 20 0 CEADMP C[N@@H+](CCCc1ccc(Cl)cc1)CCN1CC[NH2+]CC1 ZINC000647835796 395761927 /nfs/dbraw/zinc/76/19/27/395761927.db2.gz ORWPRHTXTHQGBZ-UHFFFAOYSA-N 2 1 295.858 2.110 20 0 CEADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)CCC[NH3+] ZINC000647849465 395763634 /nfs/dbraw/zinc/76/36/34/395763634.db2.gz UYHYWTFPCOXPHN-OLZOCXBDSA-N 2 1 295.452 2.081 20 0 CEADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)CCC[NH3+] ZINC000647849465 395763636 /nfs/dbraw/zinc/76/36/36/395763636.db2.gz UYHYWTFPCOXPHN-OLZOCXBDSA-N 2 1 295.452 2.081 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1OC ZINC000647872794 395766358 /nfs/dbraw/zinc/76/63/58/395766358.db2.gz UOFXWOJPFOPCDX-ZDUSSCGKSA-N 2 1 278.396 2.054 20 0 CEADMP c1cc2c(cc[nH+]c2NC[C@H]2CCc3[nH+]ccn3C2)[nH]1 ZINC000647879022 395767675 /nfs/dbraw/zinc/76/76/75/395767675.db2.gz LINDSBGYMAFRPX-LLVKDONJSA-N 2 1 267.336 2.434 20 0 CEADMP c1cc(CCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000647903459 395770781 /nfs/dbraw/zinc/77/07/81/395770781.db2.gz JMXMAXBSQUKCIL-IRXDYDNUSA-N 2 1 273.424 2.478 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3noc4c3CCCC4)C[C@H]21 ZINC000647907794 395771306 /nfs/dbraw/zinc/77/13/06/395771306.db2.gz VQNKUZDTNPVYDJ-MRVWCRGKSA-N 2 1 275.396 2.113 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3noc4c3CCCC4)C[C@H]21 ZINC000647907794 395771308 /nfs/dbraw/zinc/77/13/08/395771308.db2.gz VQNKUZDTNPVYDJ-MRVWCRGKSA-N 2 1 275.396 2.113 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000647970855 395791414 /nfs/dbraw/zinc/79/14/14/395791414.db2.gz IWWUWPRXCWKZPU-ZOBUZTSGSA-N 2 1 278.440 2.469 20 0 CEADMP CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976461 395793668 /nfs/dbraw/zinc/79/36/68/395793668.db2.gz OUONAEPJMFSZMN-ARFHVFGLSA-N 2 1 295.471 2.003 20 0 CEADMP c1nc([C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000647991622 395797409 /nfs/dbraw/zinc/79/74/09/395797409.db2.gz TWZWFRKZOCGENQ-HUUCEWRRSA-N 2 1 288.439 2.008 20 0 CEADMP C(C1CC[NH2+]CC1)[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000648404408 395902505 /nfs/dbraw/zinc/90/25/05/395902505.db2.gz HGTZSOQEHNCSSL-CQSZACIVSA-N 2 1 290.411 2.474 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000648404408 395902509 /nfs/dbraw/zinc/90/25/09/395902509.db2.gz HGTZSOQEHNCSSL-CQSZACIVSA-N 2 1 290.411 2.474 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000648583343 395932666 /nfs/dbraw/zinc/93/26/66/395932666.db2.gz LPBJMTKUDQRITP-ILXRZTDVSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000648583343 395932667 /nfs/dbraw/zinc/93/26/67/395932667.db2.gz LPBJMTKUDQRITP-ILXRZTDVSA-N 2 1 254.418 2.408 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000648886583 396010115 /nfs/dbraw/zinc/01/01/15/396010115.db2.gz SXSNOINBGVWRTG-UONOGXRCSA-N 2 1 294.443 2.243 20 0 CEADMP CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCC[NH2+]C ZINC000649414315 396148697 /nfs/dbraw/zinc/14/86/97/396148697.db2.gz SOFWYDRVJXUACU-HNNXBMFYSA-N 2 1 261.413 2.327 20 0 CEADMP Cc1cncc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000649540741 396182669 /nfs/dbraw/zinc/18/26/69/396182669.db2.gz CZDXIKDFFYCAHN-INIZCTEOSA-N 2 1 288.439 2.135 20 0 CEADMP Cc1cncc(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000649540741 396182672 /nfs/dbraw/zinc/18/26/72/396182672.db2.gz CZDXIKDFFYCAHN-INIZCTEOSA-N 2 1 288.439 2.135 20 0 CEADMP C[C@@H]([NH3+])CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000646401640 396342569 /nfs/dbraw/zinc/34/25/69/396342569.db2.gz NWDKVMOJUSQHPI-LLVKDONJSA-N 2 1 296.440 2.195 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CO1 ZINC000647171173 396427462 /nfs/dbraw/zinc/42/74/62/396427462.db2.gz BTYRSQPCMHHWRK-KFWWJZLASA-N 2 1 254.418 2.408 20 0 CEADMP COc1cc(C)[nH+]c(CN(CC[NH3+])Cc2ccccc2)c1 ZINC000213480950 400304655 /nfs/dbraw/zinc/30/46/55/400304655.db2.gz QBIKACWLNLAETG-UHFFFAOYSA-N 2 1 285.391 2.360 20 0 CEADMP CC(C)[C@@H](C[NH2+]C[C@H]1CCSC1)[NH+]1CCCC1 ZINC000224307549 400311780 /nfs/dbraw/zinc/31/17/80/400311780.db2.gz ZHRHUUUSQJDTSH-ZIAGYGMSSA-N 2 1 256.459 2.450 20 0 CEADMP COC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000339427802 400364591 /nfs/dbraw/zinc/36/45/91/400364591.db2.gz CAVJJRWKJCISOR-SJORKVTESA-N 2 1 276.424 2.176 20 0 CEADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000414292899 292148578 /nfs/dbraw/zinc/14/85/78/292148578.db2.gz BAZWGBTZGJAGBF-MJBXVCDLSA-N 2 1 252.402 2.160 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000394445527 400548921 /nfs/dbraw/zinc/54/89/21/400548921.db2.gz VDNJERPHUDUNIJ-MSOLQXFVSA-N 2 1 298.434 2.491 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000394445527 400548923 /nfs/dbraw/zinc/54/89/23/400548923.db2.gz VDNJERPHUDUNIJ-MSOLQXFVSA-N 2 1 298.434 2.491 20 0 CEADMP c1cc2c(c(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c1)CCC2 ZINC000650703479 400996282 /nfs/dbraw/zinc/99/62/82/400996282.db2.gz BEKKCHHHBGXUSY-WBVHZDCISA-N 2 1 256.393 2.359 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706226 400998033 /nfs/dbraw/zinc/99/80/33/400998033.db2.gz GROWDQMSHBOFIB-IHRRRGAJSA-N 2 1 295.452 2.170 20 0 CEADMP CCc1ccc(C[NH+]2CCC([NH2+]CCOC)CC2)cc1 ZINC000650705684 400998579 /nfs/dbraw/zinc/99/85/79/400998579.db2.gz QRTRQNIGPPIBJU-UHFFFAOYSA-N 2 1 276.424 2.449 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CNc3ccccc3C2)[C@@H](C)C1 ZINC000650715808 401006292 /nfs/dbraw/zinc/00/62/92/401006292.db2.gz KQKHXLYTSHNRTR-IMJJTQAJSA-N 2 1 273.424 2.343 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000650720034 401009984 /nfs/dbraw/zinc/00/99/84/401009984.db2.gz CQAALWWCKOWFEO-WMLDXEAASA-N 3 1 275.440 2.226 20 0 CEADMP CC[N@@H+]1CC[C@@H](NCc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000650720034 401009992 /nfs/dbraw/zinc/00/99/92/401009992.db2.gz CQAALWWCKOWFEO-WMLDXEAASA-N 2 1 275.440 2.226 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000650720034 401010000 /nfs/dbraw/zinc/01/00/00/401010000.db2.gz CQAALWWCKOWFEO-WMLDXEAASA-N 2 1 275.440 2.226 20 0 CEADMP CCN1CC[C@@H]([NH2+]Cc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000650720034 401010006 /nfs/dbraw/zinc/01/00/06/401010006.db2.gz CQAALWWCKOWFEO-WMLDXEAASA-N 2 1 275.440 2.226 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000650719284 401010345 /nfs/dbraw/zinc/01/03/45/401010345.db2.gz KLHXWDUSHCSFGI-UHFFFAOYSA-N 3 1 287.451 2.370 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000650740580 401015765 /nfs/dbraw/zinc/01/57/65/401015765.db2.gz MZMRXRYDCUKBCO-CABCVRRESA-N 2 1 255.450 2.085 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000650740009 401015787 /nfs/dbraw/zinc/01/57/87/401015787.db2.gz DSFSJMMKCJQMAT-CABCVRRESA-N 2 1 255.450 2.071 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000650740009 401015792 /nfs/dbraw/zinc/01/57/92/401015792.db2.gz DSFSJMMKCJQMAT-CABCVRRESA-N 3 1 255.450 2.071 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000650740009 401015800 /nfs/dbraw/zinc/01/58/00/401015800.db2.gz DSFSJMMKCJQMAT-CABCVRRESA-N 3 1 255.450 2.071 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753168 401029504 /nfs/dbraw/zinc/02/95/04/401029504.db2.gz IFGRVNBXGWNUKS-SNVBAGLBSA-N 2 1 276.359 2.177 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cnccn1 ZINC000650758576 401034631 /nfs/dbraw/zinc/03/46/31/401034631.db2.gz SMXQLLRLWFRNDQ-LBPRGKRZSA-N 2 1 256.353 2.047 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000651929381 401416778 /nfs/dbraw/zinc/41/67/78/401416778.db2.gz LXHRDDTWLYYERW-MRXNPFEDSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CCF)CC[N@@H+]1Cc1ccccc1 ZINC000652019852 401434769 /nfs/dbraw/zinc/43/47/69/401434769.db2.gz DJAIIQABGGYODA-PVAVHDDUSA-N 2 1 294.414 2.350 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CCF)CC[N@H+]1Cc1ccccc1 ZINC000652019852 401434771 /nfs/dbraw/zinc/43/47/71/401434771.db2.gz DJAIIQABGGYODA-PVAVHDDUSA-N 2 1 294.414 2.350 20 0 CEADMP C[NH2+]C[C@](C)(O)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000652341364 401490571 /nfs/dbraw/zinc/49/05/71/401490571.db2.gz JDVVCMMONXDARV-CJNGLKHVSA-N 2 1 264.413 2.431 20 0 CEADMP CC(C)CN(C(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])C1CC1 ZINC000652354881 401492460 /nfs/dbraw/zinc/49/24/60/401492460.db2.gz KGCISJORNNJZDG-HOCLYGCPSA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)CN(C(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])C1CC1 ZINC000652354881 401492461 /nfs/dbraw/zinc/49/24/61/401492461.db2.gz KGCISJORNNJZDG-HOCLYGCPSA-N 2 1 295.471 2.083 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000652353388 401492473 /nfs/dbraw/zinc/49/24/73/401492473.db2.gz DDOXXDQHDLKNQC-MLGOLLRUSA-N 2 1 296.842 2.272 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000652353388 401492474 /nfs/dbraw/zinc/49/24/74/401492474.db2.gz DDOXXDQHDLKNQC-MLGOLLRUSA-N 2 1 296.842 2.272 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]1CC[NH3+] ZINC000652356081 401492714 /nfs/dbraw/zinc/49/27/14/401492714.db2.gz RRPWOXZCLAUEQC-KBXCAEBGSA-N 3 1 287.451 2.282 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2SC)C[C@H]1C[NH3+] ZINC000652356566 401493361 /nfs/dbraw/zinc/49/33/61/401493361.db2.gz SPSLWZOIBCQNKQ-ZIAGYGMSSA-N 2 1 280.437 2.204 20 0 CEADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355164 401493378 /nfs/dbraw/zinc/49/33/78/401493378.db2.gz QHAYXQCTOUWGMX-HRCADAONSA-N 2 1 297.487 2.329 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc2c(s1)CCC2 ZINC000360239099 155249034 /nfs/dbraw/zinc/24/90/34/155249034.db2.gz AOEFLQBQIDAKGN-GXTWGEPZSA-N 2 1 294.464 2.344 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360534857 155321157 /nfs/dbraw/zinc/32/11/57/155321157.db2.gz KYFBURHPHZNARY-BZUAXINKSA-N 2 1 266.429 2.267 20 0 CEADMP CCOC1CC(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000189248639 153086536 /nfs/dbraw/zinc/08/65/36/153086536.db2.gz IMENCXNKUANYGC-JLVJUDLZSA-N 2 1 254.418 2.264 20 0 CEADMP CCCC[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000191386100 153172235 /nfs/dbraw/zinc/17/22/35/153172235.db2.gz SVNCFQSARSBJFD-UHFFFAOYSA-N 2 1 255.450 2.134 20 0 CEADMP CCOCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000193042028 153222145 /nfs/dbraw/zinc/22/21/45/153222145.db2.gz NESFYVCBEMSSQV-GOOCMWNKSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1n[nH]cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192922554 153225603 /nfs/dbraw/zinc/22/56/03/153225603.db2.gz TUGAZXQHCXCVQG-INIZCTEOSA-N 2 1 284.407 2.330 20 0 CEADMP Cc1n[nH]cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192922554 153225606 /nfs/dbraw/zinc/22/56/06/153225606.db2.gz TUGAZXQHCXCVQG-INIZCTEOSA-N 2 1 284.407 2.330 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CCCOCCc3ccccc3)C[C@@H]2C1 ZINC000193625145 153236439 /nfs/dbraw/zinc/23/64/39/153236439.db2.gz YQTHUDNHHODGIH-HDICACEKSA-N 2 1 288.435 2.129 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCCOCCc3ccccc3)C[C@@H]2C1 ZINC000193625145 153236442 /nfs/dbraw/zinc/23/64/42/153236442.db2.gz YQTHUDNHHODGIH-HDICACEKSA-N 2 1 288.435 2.129 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCCOCCc3ccccc3)C[C@@H]2C1 ZINC000193625145 153236444 /nfs/dbraw/zinc/23/64/44/153236444.db2.gz YQTHUDNHHODGIH-HDICACEKSA-N 2 1 288.435 2.129 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000219499881 153301909 /nfs/dbraw/zinc/30/19/09/153301909.db2.gz JLYQRXYFERWKDS-CQSZACIVSA-N 2 1 254.418 2.410 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000219499881 153301912 /nfs/dbraw/zinc/30/19/12/153301912.db2.gz JLYQRXYFERWKDS-CQSZACIVSA-N 2 1 254.418 2.410 20 0 CEADMP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cs1 ZINC000221947816 153313340 /nfs/dbraw/zinc/31/33/40/153313340.db2.gz VTSHJRVUXKTHSV-JQWIXIFHSA-N 2 1 253.415 2.066 20 0 CEADMP Cc1cnn(C)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000334832262 154234975 /nfs/dbraw/zinc/23/49/75/154234975.db2.gz QJHFVOVYHKSEPJ-UHFFFAOYSA-N 2 1 264.417 2.127 20 0 CEADMP CCc1ncc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)s1 ZINC000336480331 154254739 /nfs/dbraw/zinc/25/47/39/154254739.db2.gz JOQULZJGFLCQFS-AAEUAGOBSA-N 2 1 265.426 2.232 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000346695227 154292381 /nfs/dbraw/zinc/29/23/81/154292381.db2.gz ZBOXXXDOOMRLLU-INIZCTEOSA-N 2 1 290.455 2.487 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000346695227 154292388 /nfs/dbraw/zinc/29/23/88/154292388.db2.gz ZBOXXXDOOMRLLU-INIZCTEOSA-N 2 1 290.455 2.487 20 0 CEADMP CCOc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1OC ZINC000347086377 154301481 /nfs/dbraw/zinc/30/14/81/154301481.db2.gz DVOGUYMEVNAKTA-AWEZNQCLSA-N 2 1 278.396 2.265 20 0 CEADMP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1OC ZINC000347086377 154301484 /nfs/dbraw/zinc/30/14/84/154301484.db2.gz DVOGUYMEVNAKTA-AWEZNQCLSA-N 2 1 278.396 2.265 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCC(C)CC1 ZINC000348974468 154306426 /nfs/dbraw/zinc/30/64/26/154306426.db2.gz LQTCDTHWKQGQGA-AWEZNQCLSA-N 2 1 266.433 2.117 20 0 CEADMP C[C@@H]1SCC[N@@H+](CCOCC[NH3+])[C@H]1c1ccccc1 ZINC000357077403 154374826 /nfs/dbraw/zinc/37/48/26/154374826.db2.gz AZIHZAIHSHGLHL-DZGCQCFKSA-N 2 1 280.437 2.140 20 0 CEADMP c1ccc(CCOCCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357083898 154379216 /nfs/dbraw/zinc/37/92/16/154379216.db2.gz IWDJBAFUXLTEPJ-ROUUACIJSA-N 2 1 288.435 2.177 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000359742866 155124752 /nfs/dbraw/zinc/12/47/52/155124752.db2.gz LFZNPYZJDXKKDD-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000359742866 155124754 /nfs/dbraw/zinc/12/47/54/155124754.db2.gz LFZNPYZJDXKKDD-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[NH+](CC)C[C@H](C)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000359742866 155124756 /nfs/dbraw/zinc/12/47/56/155124756.db2.gz LFZNPYZJDXKKDD-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CO[C@@](C)(C[NH2+]Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000361147776 155465064 /nfs/dbraw/zinc/46/50/64/155465064.db2.gz WESUHZRIKVKVPU-AWEZNQCLSA-N 2 1 283.441 2.109 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N2CC[NH+](CC3CC3)CC2)n1 ZINC000363831747 156042966 /nfs/dbraw/zinc/04/29/66/156042966.db2.gz SSRHCLDKTQFHEX-UHFFFAOYSA-N 2 1 297.406 2.108 20 0 CEADMP CC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000364339599 156065258 /nfs/dbraw/zinc/06/52/58/156065258.db2.gz DUSGSZRANKLSFG-OIISXLGYSA-N 2 1 276.424 2.258 20 0 CEADMP C(C[N@H+]1CC[C@]2(C1)CCCOC2)C[NH+]1CCCCC1 ZINC000366946089 156105798 /nfs/dbraw/zinc/10/57/98/156105798.db2.gz REBPFGSNDFSDGX-INIZCTEOSA-N 2 1 266.429 2.365 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000366964395 156107808 /nfs/dbraw/zinc/10/78/08/156107808.db2.gz ZXMKYVQDLCXFOV-GJZGRUSLSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000366964395 156107809 /nfs/dbraw/zinc/10/78/09/156107809.db2.gz ZXMKYVQDLCXFOV-GJZGRUSLSA-N 2 1 263.385 2.083 20 0 CEADMP C[N@@H+](CCCCF)C1CC[NH+](C2CCOCC2)CC1 ZINC000367552872 156206161 /nfs/dbraw/zinc/20/61/61/156206161.db2.gz JOPNJYZMDBYYHD-UHFFFAOYSA-N 2 1 272.408 2.311 20 0 CEADMP Cc1nccn1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367599620 156211809 /nfs/dbraw/zinc/21/18/09/156211809.db2.gz XCUPMSSCEWRJDM-XHSDSOJGSA-N 2 1 276.428 2.044 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367599620 156211811 /nfs/dbraw/zinc/21/18/11/156211811.db2.gz XCUPMSSCEWRJDM-XHSDSOJGSA-N 3 1 276.428 2.044 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367599620 156211813 /nfs/dbraw/zinc/21/18/13/156211813.db2.gz XCUPMSSCEWRJDM-XHSDSOJGSA-N 3 1 276.428 2.044 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367600107 156212696 /nfs/dbraw/zinc/21/26/96/156212696.db2.gz YIKSRAKOSVFOSZ-RISCZKNCSA-N 2 1 273.384 2.218 20 0 CEADMP C[N@H+]1CC[C@H](NCCC[NH+]2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000367613172 156213085 /nfs/dbraw/zinc/21/30/85/156213085.db2.gz BRERMVSOKYKDHZ-YESZJQIVSA-N 2 1 279.472 2.325 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000367613172 156213090 /nfs/dbraw/zinc/21/30/90/156213090.db2.gz BRERMVSOKYKDHZ-YESZJQIVSA-N 3 1 279.472 2.325 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000367613172 156213092 /nfs/dbraw/zinc/21/30/92/156213092.db2.gz BRERMVSOKYKDHZ-YESZJQIVSA-N 3 1 279.472 2.325 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000367597978 156213601 /nfs/dbraw/zinc/21/36/01/156213601.db2.gz CUOHOBCDGXZVCM-JSGCOSHPSA-N 2 1 262.401 2.109 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000367597978 156213602 /nfs/dbraw/zinc/21/36/02/156213602.db2.gz CUOHOBCDGXZVCM-JSGCOSHPSA-N 2 1 262.401 2.109 20 0 CEADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCC1 ZINC000367611114 156214646 /nfs/dbraw/zinc/21/46/46/156214646.db2.gz ACALYPTVIIHSAK-ZNMIVQPWSA-N 2 1 266.429 2.266 20 0 CEADMP CCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367625811 156219397 /nfs/dbraw/zinc/21/93/97/156219397.db2.gz ZAYBXEDWHMWXQJ-ARFHVFGLSA-N 2 1 289.423 2.443 20 0 CEADMP CCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367625811 156219400 /nfs/dbraw/zinc/21/94/00/156219400.db2.gz ZAYBXEDWHMWXQJ-ARFHVFGLSA-N 2 1 289.423 2.443 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCCCCO)[C@@H]2CCC[C@H]21 ZINC000375852375 157152952 /nfs/dbraw/zinc/15/29/52/157152952.db2.gz NUMGJRFOQHGIMQ-SOUVJXGZSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+](C[C@@H]1CCOC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376168403 157190864 /nfs/dbraw/zinc/19/08/64/157190864.db2.gz WMQKSBNWMIYYMM-INIZCTEOSA-N 2 1 289.423 2.266 20 0 CEADMP Cc1ccccc1[C@H](CO)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531739081 298118263 /nfs/dbraw/zinc/11/82/63/298118263.db2.gz GQBXQQRNDKDHAW-LZWOXQAQSA-N 2 1 262.397 2.101 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000531739081 298118267 /nfs/dbraw/zinc/11/82/67/298118267.db2.gz GQBXQQRNDKDHAW-LZWOXQAQSA-N 2 1 262.397 2.101 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC000532227400 298136740 /nfs/dbraw/zinc/13/67/40/298136740.db2.gz NCFJKXLSPJVOPT-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000171693019 162387000 /nfs/dbraw/zinc/38/70/00/162387000.db2.gz TZOOGWJQGNEATG-UHFFFAOYSA-N 2 1 282.350 2.418 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C1CC1 ZINC000364382786 287059615 /nfs/dbraw/zinc/05/96/15/287059615.db2.gz PCAGQKIQCFAJHR-LUYZLQTOSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C1CC1 ZINC000364382786 287059619 /nfs/dbraw/zinc/05/96/19/287059619.db2.gz PCAGQKIQCFAJHR-LUYZLQTOSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1ncsc1CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172652076 165063417 /nfs/dbraw/zinc/06/34/17/165063417.db2.gz FCJKWWJHJOSHLK-AWEZNQCLSA-N 2 1 279.453 2.412 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173618746 165076216 /nfs/dbraw/zinc/07/62/16/165076216.db2.gz WHGOZOPIYFKBKK-KGLIPLIRSA-N 2 1 283.460 2.142 20 0 CEADMP COc1ccc(OC)c(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000177955534 165217546 /nfs/dbraw/zinc/21/75/46/165217546.db2.gz GYKAKAOSDPKCBG-HIFRSBDPSA-N 2 1 292.423 2.319 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000178750243 165256313 /nfs/dbraw/zinc/25/63/13/165256313.db2.gz NKGBZWWCFVZBEW-HIFRSBDPSA-N 2 1 278.444 2.500 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000178750243 165256316 /nfs/dbraw/zinc/25/63/16/165256316.db2.gz NKGBZWWCFVZBEW-HIFRSBDPSA-N 2 1 278.444 2.500 20 0 CEADMP c1ccc(CC[N@@H+](CC2CC[NH2+]CC2)[C@H]2CCOC2)cc1 ZINC000178977202 165267989 /nfs/dbraw/zinc/26/79/89/165267989.db2.gz FEOQQQREFJKWAB-SFHVURJKSA-N 2 1 288.435 2.320 20 0 CEADMP COc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cn1 ZINC000020186024 171049400 /nfs/dbraw/zinc/04/94/00/171049400.db2.gz PCRWVGAWWNYZTI-UHFFFAOYSA-N 2 1 263.385 2.053 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000020247187 171100208 /nfs/dbraw/zinc/10/02/08/171100208.db2.gz ALVOOBULAQMPQO-ZDUSSCGKSA-N 2 1 255.365 2.406 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCOC1(C)C ZINC000328403071 287269076 /nfs/dbraw/zinc/26/90/76/287269076.db2.gz SDEHGIANEOQAIX-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1O ZINC000037408255 173184369 /nfs/dbraw/zinc/18/43/69/173184369.db2.gz XRBQAFLRWJXRJT-CQSZACIVSA-N 2 1 290.407 2.365 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCO3)CC1 ZINC000038098231 174113676 /nfs/dbraw/zinc/11/36/76/174113676.db2.gz AYGFCAMSPJWAQH-UHFFFAOYSA-N 2 1 290.407 2.422 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])[C@H](C)CC)CC1 ZINC000040490687 174291603 /nfs/dbraw/zinc/29/16/03/174291603.db2.gz XPEYHYDQGADKFK-ZBFHGGJFSA-N 2 1 297.487 2.330 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000040622678 174355460 /nfs/dbraw/zinc/35/54/60/174355460.db2.gz FDGCPNJSWZYYHS-CYBMUJFWSA-N 2 1 276.380 2.235 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000040622678 174355462 /nfs/dbraw/zinc/35/54/62/174355462.db2.gz FDGCPNJSWZYYHS-CYBMUJFWSA-N 2 1 276.380 2.235 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000040736086 174389099 /nfs/dbraw/zinc/38/90/99/174389099.db2.gz DXZYDDYZAFUVCX-DVOMOZLQSA-N 2 1 262.397 2.253 20 0 CEADMP COc1ccc(CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000040746833 174392155 /nfs/dbraw/zinc/39/21/55/174392155.db2.gz FTQBNGOUHWQCLV-XYPWUTKMSA-N 2 1 274.408 2.453 20 0 CEADMP CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCCOC1 ZINC000402714009 414758286 /nfs/dbraw/zinc/75/82/86/414758286.db2.gz UBXNJZZLIWMQQI-QGZVFWFLSA-N 2 1 274.408 2.333 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662836069 414766744 /nfs/dbraw/zinc/76/67/44/414766744.db2.gz VBIPDQFCPKKLQB-XHSDSOJGSA-N 2 1 295.471 2.131 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662836068 414766923 /nfs/dbraw/zinc/76/69/23/414766923.db2.gz VBIPDQFCPKKLQB-JYJNAYRXSA-N 2 1 295.471 2.131 20 0 CEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660371253 414789102 /nfs/dbraw/zinc/78/91/02/414789102.db2.gz OWQKLLWXGWNILW-HUUCEWRRSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000660371253 414789109 /nfs/dbraw/zinc/78/91/09/414789109.db2.gz OWQKLLWXGWNILW-HUUCEWRRSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660371253 414789117 /nfs/dbraw/zinc/78/91/17/414789117.db2.gz OWQKLLWXGWNILW-HUUCEWRRSA-N 2 1 256.434 2.056 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000121762375 414787632 /nfs/dbraw/zinc/78/76/32/414787632.db2.gz BSMOBIBYVIYPFZ-JONQDZQNSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CCc2ccccc21 ZINC000404728366 414788275 /nfs/dbraw/zinc/78/82/75/414788275.db2.gz GGSQTLLSKLDBJS-YOEHRIQHSA-N 2 1 288.435 2.103 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CCc2ccccc21 ZINC000404728366 414788281 /nfs/dbraw/zinc/78/82/81/414788281.db2.gz GGSQTLLSKLDBJS-YOEHRIQHSA-N 2 1 288.435 2.103 20 0 CEADMP C[C@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CCc2ccccc21 ZINC000404728366 414788283 /nfs/dbraw/zinc/78/82/83/414788283.db2.gz GGSQTLLSKLDBJS-YOEHRIQHSA-N 2 1 288.435 2.103 20 0 CEADMP C[C@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CCc2ccccc21 ZINC000404728366 414788288 /nfs/dbraw/zinc/78/82/88/414788288.db2.gz GGSQTLLSKLDBJS-YOEHRIQHSA-N 2 1 288.435 2.103 20 0 CEADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2)CC[C@@H]1[NH3+] ZINC000122873283 414791320 /nfs/dbraw/zinc/79/13/20/414791320.db2.gz XFWIDAJRHXONHP-ZFWWWQNUSA-N 2 1 275.396 2.074 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1C[NH3+] ZINC000405433417 414792785 /nfs/dbraw/zinc/79/27/85/414792785.db2.gz IPTWQRKFHIEFNK-HZPDHXFCSA-N 2 1 285.391 2.030 20 0 CEADMP Cc1ccc(C)c(OCCC[N@@H+](C)CCC[NH3+])c1 ZINC000123289599 414793391 /nfs/dbraw/zinc/79/33/91/414793391.db2.gz YRYWJHYYNUXWTO-UHFFFAOYSA-N 2 1 250.386 2.353 20 0 CEADMP c1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000123948425 414795577 /nfs/dbraw/zinc/79/55/77/414795577.db2.gz MUPDRXOPRNMRNM-DLBZAZTESA-N 2 1 272.392 2.086 20 0 CEADMP CCO[C@@H]1C[N@H+]([C@@H](CC)c2ccccc2)C[C@H]1C[NH3+] ZINC000405550997 414795790 /nfs/dbraw/zinc/79/57/90/414795790.db2.gz YTJMZHJOWVFKRV-OWCLPIDISA-N 2 1 262.397 2.433 20 0 CEADMP CC[C@@H](CC(F)F)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000660419971 414812155 /nfs/dbraw/zinc/81/21/55/414812155.db2.gz MMQIIHOLIWXOIO-NSHDSACASA-N 2 1 272.343 2.213 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(C)(C)C)C1 ZINC000660452727 414827061 /nfs/dbraw/zinc/82/70/61/414827061.db2.gz BNMFKAMXOUBNBJ-GJZGRUSLSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000660452727 414827067 /nfs/dbraw/zinc/82/70/67/414827067.db2.gz BNMFKAMXOUBNBJ-GJZGRUSLSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000660452727 414827071 /nfs/dbraw/zinc/82/70/71/414827071.db2.gz BNMFKAMXOUBNBJ-GJZGRUSLSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CC1CC1)CC1CCC1 ZINC000660460162 414833452 /nfs/dbraw/zinc/83/34/52/414833452.db2.gz XKSBQSJNLQUFJO-INIZCTEOSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](CC1CC1)CC1CCC1 ZINC000660460162 414833457 /nfs/dbraw/zinc/83/34/57/414833457.db2.gz XKSBQSJNLQUFJO-INIZCTEOSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CC1CC1)CC1CCC1 ZINC000660460162 414833461 /nfs/dbraw/zinc/83/34/61/414833461.db2.gz XKSBQSJNLQUFJO-INIZCTEOSA-N 2 1 268.445 2.200 20 0 CEADMP CO[C@H](C[N@@H+](C)CCC[NH+]1CCCC1)C1CCC1 ZINC000660464391 414834916 /nfs/dbraw/zinc/83/49/16/414834916.db2.gz PDFSUWQRFVXVNA-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP CCN1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000657292203 414835981 /nfs/dbraw/zinc/83/59/81/414835981.db2.gz FYQNGYLVLUNQAH-UHFFFAOYSA-N 2 1 276.428 2.262 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657335330 414866912 /nfs/dbraw/zinc/86/69/12/414866912.db2.gz NWXMTWLCTPXPBO-HNNXBMFYSA-N 2 1 276.428 2.113 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657335330 414866917 /nfs/dbraw/zinc/86/69/17/414866917.db2.gz NWXMTWLCTPXPBO-HNNXBMFYSA-N 2 1 276.428 2.113 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C1CCCC1 ZINC000311926768 414863218 /nfs/dbraw/zinc/86/32/18/414863218.db2.gz HJPDTOKZYLRUPY-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000311926768 414863224 /nfs/dbraw/zinc/86/32/24/414863224.db2.gz HJPDTOKZYLRUPY-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000311926768 414863228 /nfs/dbraw/zinc/86/32/28/414863228.db2.gz HJPDTOKZYLRUPY-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653110765 414908405 /nfs/dbraw/zinc/90/84/05/414908405.db2.gz TVVNYURIMDIHDE-JKSUJKDBSA-N 2 1 295.471 2.147 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660653819 414917754 /nfs/dbraw/zinc/91/77/54/414917754.db2.gz BGLNPOMPOFXUDA-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CC(C)CCOCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660653819 414917757 /nfs/dbraw/zinc/91/77/57/414917757.db2.gz BGLNPOMPOFXUDA-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CC(C)CCOCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660653819 414917762 /nfs/dbraw/zinc/91/77/62/414917762.db2.gz BGLNPOMPOFXUDA-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP Cc1cnc([C@@H](C)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)o1 ZINC000660662647 414922959 /nfs/dbraw/zinc/92/29/59/414922959.db2.gz KILQZQMMBQYVFJ-HIFRSBDPSA-N 2 1 263.385 2.462 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCN1CCc3ccccc31)C2 ZINC000660661727 414924033 /nfs/dbraw/zinc/92/40/33/414924033.db2.gz FUBGYGWKKGAFDR-IBGZPJMESA-N 2 1 299.462 2.467 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCN1CCc3ccccc31)C2 ZINC000660661727 414924037 /nfs/dbraw/zinc/92/40/37/414924037.db2.gz FUBGYGWKKGAFDR-IBGZPJMESA-N 2 1 299.462 2.467 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCN1CCc3ccccc31)C2 ZINC000660661727 414924042 /nfs/dbraw/zinc/92/40/42/414924042.db2.gz FUBGYGWKKGAFDR-IBGZPJMESA-N 2 1 299.462 2.467 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCC(C)(C)O1)C2 ZINC000660660730 414924291 /nfs/dbraw/zinc/92/42/91/414924291.db2.gz AMWCQQHGNODFNP-GOEBONIOSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CCC(C)(C)O1)C2 ZINC000660660730 414924300 /nfs/dbraw/zinc/92/43/00/414924300.db2.gz AMWCQQHGNODFNP-GOEBONIOSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCC(C)(C)O1)C2 ZINC000660660730 414924304 /nfs/dbraw/zinc/92/43/04/414924304.db2.gz AMWCQQHGNODFNP-GOEBONIOSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(CO)cc1)C2 ZINC000660665868 414928026 /nfs/dbraw/zinc/92/80/26/414928026.db2.gz YJSYDTRHAAUBNW-KRWDZBQOSA-N 2 1 274.408 2.097 20 0 CEADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(CO)cc1)C2 ZINC000660665868 414928034 /nfs/dbraw/zinc/92/80/34/414928034.db2.gz YJSYDTRHAAUBNW-KRWDZBQOSA-N 2 1 274.408 2.097 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(CO)cc1)C2 ZINC000660665868 414928039 /nfs/dbraw/zinc/92/80/39/414928039.db2.gz YJSYDTRHAAUBNW-KRWDZBQOSA-N 2 1 274.408 2.097 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]C1CCC(C2CCC2)CC1)C1CC1 ZINC000663371190 414931453 /nfs/dbraw/zinc/93/14/53/414931453.db2.gz YPVJCMXBKXHVOW-DQPZFDDXSA-N 2 1 280.456 2.390 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCC(C2CCC2)CC1)C1CC1 ZINC000663371190 414931457 /nfs/dbraw/zinc/93/14/57/414931457.db2.gz YPVJCMXBKXHVOW-DQPZFDDXSA-N 2 1 280.456 2.390 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337993712 414874802 /nfs/dbraw/zinc/87/48/02/414874802.db2.gz SPNUMNIBPLJASP-HUUCEWRRSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1ccc2c(c1)CCO2 ZINC000653279988 414973038 /nfs/dbraw/zinc/97/30/38/414973038.db2.gz RXKDSGBVLMFDOB-BBRMVZONSA-N 2 1 274.408 2.366 20 0 CEADMP CC[N@H+]1CCCN(CC[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000660790107 414976156 /nfs/dbraw/zinc/97/61/56/414976156.db2.gz VDWZTABQMFLEHJ-BBWFWOEESA-N 2 1 281.488 2.380 20 0 CEADMP CC[NH+]1CCCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000660790107 414976160 /nfs/dbraw/zinc/97/61/60/414976160.db2.gz VDWZTABQMFLEHJ-BBWFWOEESA-N 2 1 281.488 2.380 20 0 CEADMP CC[NH+]1CCCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000660790107 414976162 /nfs/dbraw/zinc/97/61/62/414976162.db2.gz VDWZTABQMFLEHJ-BBWFWOEESA-N 2 1 281.488 2.380 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)CC[NH2+]1 ZINC000663514992 414978964 /nfs/dbraw/zinc/97/89/64/414978964.db2.gz XPZRDNMBXVBQBR-GFQSEFKGSA-N 2 1 276.371 2.119 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000657562285 415002410 /nfs/dbraw/zinc/00/24/10/415002410.db2.gz MEGGOIBPNQLINO-MGPQQGTHSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000657562285 415002417 /nfs/dbraw/zinc/00/24/17/415002417.db2.gz MEGGOIBPNQLINO-MGPQQGTHSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C[NH+]1C1CC1 ZINC000657562285 415002423 /nfs/dbraw/zinc/00/24/23/415002423.db2.gz MEGGOIBPNQLINO-MGPQQGTHSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C(C)(C)C)C2)C[NH+]1C1CC1 ZINC000657562285 415002425 /nfs/dbraw/zinc/00/24/25/415002425.db2.gz MEGGOIBPNQLINO-MGPQQGTHSA-N 2 1 265.445 2.074 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000657563994 415003072 /nfs/dbraw/zinc/00/30/72/415003072.db2.gz RILGVIVXSSTDAP-KKUMJFAQSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[NH+]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000657563994 415003076 /nfs/dbraw/zinc/00/30/76/415003076.db2.gz RILGVIVXSSTDAP-KKUMJFAQSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[NH+]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000657563994 415003081 /nfs/dbraw/zinc/00/30/81/415003081.db2.gz RILGVIVXSSTDAP-KKUMJFAQSA-N 2 1 265.445 2.076 20 0 CEADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CCCC3)cc2)C1 ZINC000657596861 415018727 /nfs/dbraw/zinc/01/87/27/415018727.db2.gz ZUXTVBPDBNWHDP-QGZVFWFLSA-N 2 1 274.408 2.285 20 0 CEADMP CC[N@@H+](CCCNC(=O)CC1(C[NH3+])CC1)C1CCCCC1 ZINC000653200990 414945158 /nfs/dbraw/zinc/94/51/58/414945158.db2.gz WIPNFSMIYSFSCS-UHFFFAOYSA-N 2 1 295.471 2.276 20 0 CEADMP C[C@@H](C(=O)NCC[N@H+]1CCCC1(C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000654535539 414962784 /nfs/dbraw/zinc/96/27/84/414962784.db2.gz LGUYTRZODDUPSX-KFWWJZLASA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cnn(C)c1 ZINC000663467519 414964348 /nfs/dbraw/zinc/96/43/48/414964348.db2.gz GMKWAKVNEJSYTN-DZGCQCFKSA-N 2 1 276.428 2.193 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(C)c1 ZINC000663467519 414964353 /nfs/dbraw/zinc/96/43/53/414964353.db2.gz GMKWAKVNEJSYTN-DZGCQCFKSA-N 2 1 276.428 2.193 20 0 CEADMP CCc1nc(N2CCC3(C2)CC[NH+](C)CC3)cc(C)[nH+]1 ZINC000663921555 415089253 /nfs/dbraw/zinc/08/92/53/415089253.db2.gz VKZNQCYBTPNPHX-UHFFFAOYSA-N 2 1 274.412 2.270 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC[NH+](CC2CC2)CC1 ZINC000657815226 415093818 /nfs/dbraw/zinc/09/38/18/415093818.db2.gz NFJAVBJFICVCLD-ZWKOTPCHSA-N 3 1 291.483 2.325 20 0 CEADMP CC[N@H+](C)C[C@@H](O)CN1CCC(n2c(C)ccc2C)CC1 ZINC000653535123 415027966 /nfs/dbraw/zinc/02/79/66/415027966.db2.gz IJAAOZCYYJBZIH-QGZVFWFLSA-N 2 1 293.455 2.054 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1CCC(n2c(C)ccc2C)CC1 ZINC000653535123 415027969 /nfs/dbraw/zinc/02/79/69/415027969.db2.gz IJAAOZCYYJBZIH-QGZVFWFLSA-N 2 1 293.455 2.054 20 0 CEADMP CC[C@H](CC(F)F)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000660906693 415030010 /nfs/dbraw/zinc/03/00/10/415030010.db2.gz VLIXXTPLMMVHTF-CYBMUJFWSA-N 2 1 290.398 2.464 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000653556827 415031270 /nfs/dbraw/zinc/03/12/70/415031270.db2.gz LROIPKYIPNSXGO-HOTGVXAUSA-N 2 1 266.429 2.121 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]2(CC=CCC2)C1 ZINC000653556827 415031274 /nfs/dbraw/zinc/03/12/74/415031274.db2.gz LROIPKYIPNSXGO-HOTGVXAUSA-N 2 1 266.429 2.121 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]2(CC=CCC2)C1 ZINC000653556827 415031278 /nfs/dbraw/zinc/03/12/78/415031278.db2.gz LROIPKYIPNSXGO-HOTGVXAUSA-N 2 1 266.429 2.121 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000657834350 415098260 /nfs/dbraw/zinc/09/82/60/415098260.db2.gz TWKPKQWSNMHILG-OAHLLOKOSA-N 2 1 276.428 2.428 20 0 CEADMP COC[C@@H](CC1CCOCC1)[NH2+]CCCn1cc[nH+]c1C ZINC000657844955 415102084 /nfs/dbraw/zinc/10/20/84/415102084.db2.gz KJSQNIOTQXNUBL-MRXNPFEDSA-N 2 1 295.427 2.003 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CCCn2nccc21)C[NH+]1CCCC1 ZINC000657844093 415102998 /nfs/dbraw/zinc/10/29/98/415102998.db2.gz GHNQUACUHBNQIQ-KBPBESRZSA-N 2 1 262.401 2.040 20 0 CEADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000657875266 415110533 /nfs/dbraw/zinc/11/05/33/415110533.db2.gz IMSRQKVDYFALRZ-LSDHHAIUSA-N 2 1 284.831 2.173 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000044514034 175189601 /nfs/dbraw/zinc/18/96/01/175189601.db2.gz FJKUGHDRVJLVAZ-UHFFFAOYSA-N 2 1 290.342 2.046 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)O2)[C@H](C)C1 ZINC000658218204 415259308 /nfs/dbraw/zinc/25/93/08/415259308.db2.gz HOERUUKMRVEZQK-QPSCCSFWSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)O1 ZINC000658216289 415259626 /nfs/dbraw/zinc/25/96/26/415259626.db2.gz QDQSKOWLZDPZKL-WFASDCNBSA-N 2 1 252.402 2.160 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661439709 415265194 /nfs/dbraw/zinc/26/51/94/415265194.db2.gz BIHMOSQGMIHKSC-CABCVRRESA-N 2 1 256.434 2.201 20 0 CEADMP C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000661443164 415268500 /nfs/dbraw/zinc/26/85/00/415268500.db2.gz MCUIOOMNDUCHRX-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP CC[N@@H+](CCCNC(=O)CC[NH2+]C1CC1)C1CCCCC1 ZINC000655484284 415298777 /nfs/dbraw/zinc/29/87/77/415298777.db2.gz PQHKCZQQDPWBGZ-UHFFFAOYSA-N 2 1 295.471 2.289 20 0 CEADMP CCC1(CC)CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000661673608 415393666 /nfs/dbraw/zinc/39/36/66/415393666.db2.gz VSOUYCIQLVJUKM-HNNXBMFYSA-N 2 1 268.445 2.344 20 0 CEADMP CCC1(CC)CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000661673608 415393673 /nfs/dbraw/zinc/39/36/73/415393673.db2.gz VSOUYCIQLVJUKM-HNNXBMFYSA-N 2 1 268.445 2.344 20 0 CEADMP CCC1(CC)CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000661673608 415393675 /nfs/dbraw/zinc/39/36/75/415393675.db2.gz VSOUYCIQLVJUKM-HNNXBMFYSA-N 2 1 268.445 2.344 20 0 CEADMP CCC1(CC)CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000661673608 415393681 /nfs/dbraw/zinc/39/36/81/415393681.db2.gz VSOUYCIQLVJUKM-HNNXBMFYSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655697885 415395551 /nfs/dbraw/zinc/39/55/51/415395551.db2.gz RRTAMUYDKQUOQM-KRWDZBQOSA-N 2 1 274.408 2.338 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CS1 ZINC000655712828 415405720 /nfs/dbraw/zinc/40/57/20/415405720.db2.gz VZFIEIICRNDYGO-ILXRZTDVSA-N 2 1 286.485 2.097 20 0 CEADMP CC1(C)C[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655729753 415419165 /nfs/dbraw/zinc/41/91/65/415419165.db2.gz JOGNZSFRDAAUNV-ZFWWWQNUSA-N 2 1 266.429 2.266 20 0 CEADMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655680646 415382849 /nfs/dbraw/zinc/38/28/49/415382849.db2.gz QLZTZGDDRHPADS-MRXNPFEDSA-N 2 1 290.407 2.038 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC[C@H](C)SC2)CC1 ZINC000655688850 415386189 /nfs/dbraw/zinc/38/61/89/415386189.db2.gz MZZOTUASKLTPJJ-HOTGVXAUSA-N 2 1 299.528 2.278 20 0 CEADMP Cc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)o1 ZINC000655688953 415386751 /nfs/dbraw/zinc/38/67/51/415386751.db2.gz QIBHXNVCMZAZKB-QGZVFWFLSA-N 2 1 292.423 2.364 20 0 CEADMP FC(F)(F)C1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655767633 415447444 /nfs/dbraw/zinc/44/74/44/415447444.db2.gz YQJAKQPOZRLZQU-GFCCVEGCSA-N 2 1 292.345 2.172 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000655773285 415450760 /nfs/dbraw/zinc/45/07/60/415450760.db2.gz UOUNFPBNEOFLMB-SWLSCSKDSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772985 415451268 /nfs/dbraw/zinc/45/12/68/415451268.db2.gz UOQVDFACWSRDSM-IJEWVQPXSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)OCC1CC1 ZINC000655775547 415456153 /nfs/dbraw/zinc/45/61/53/415456153.db2.gz AOSFLPUHPVAUJQ-MRXNPFEDSA-N 2 1 296.455 2.035 20 0 CEADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC[C@H]2CCC[N@H+]2C)cn1 ZINC000661776709 415460200 /nfs/dbraw/zinc/46/02/00/415460200.db2.gz BKNWVNNITHDSLM-BBWFWOEESA-N 2 1 290.455 2.205 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655848181 415516505 /nfs/dbraw/zinc/51/65/05/415516505.db2.gz GQCOEIMJMRIYNJ-IRXDYDNUSA-N 2 1 279.472 2.467 20 0 CEADMP C(C[N@H+]1CCC[C@@H](OC2CCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000655948054 415560457 /nfs/dbraw/zinc/56/04/57/415560457.db2.gz WXGVLSOGGCPOIA-GDBMZVCRSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000661999341 415566377 /nfs/dbraw/zinc/56/63/77/415566377.db2.gz UIFCJKKOGULQGN-PPWQZUPISA-N 2 1 274.424 2.194 20 0 CEADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000656194922 415627985 /nfs/dbraw/zinc/62/79/85/415627985.db2.gz UVWRBKFQZGPHTP-OBJOEFQTSA-N 2 1 276.380 2.106 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](OC3CCC3)C2)CC[NH2+]1 ZINC000656193714 415629419 /nfs/dbraw/zinc/62/94/19/415629419.db2.gz PZOUWLWZZRNULF-IJEWVQPXSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1cnc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)c(C)c1 ZINC000656201110 415635431 /nfs/dbraw/zinc/63/54/31/415635431.db2.gz SISCZFFKUBXVFD-CYBMUJFWSA-N 2 1 270.380 2.399 20 0 CEADMP Cc1cccc(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000656210479 415643820 /nfs/dbraw/zinc/64/38/20/415643820.db2.gz DCCWFZRRJATPJM-MELADBBJSA-N 2 1 263.385 2.300 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)[C@@H]1CCC[NH2+]1 ZINC000665263353 415656137 /nfs/dbraw/zinc/65/61/37/415656137.db2.gz LBFYEZFGACCFNJ-IWCQGFGOSA-N 2 1 274.408 2.289 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)[C@H]1CCC[NH2+]1 ZINC000665263351 415656577 /nfs/dbraw/zinc/65/65/77/415656577.db2.gz LBFYEZFGACCFNJ-BSWAZPDLSA-N 2 1 274.408 2.289 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1c[nH+]ccc1N ZINC000665272541 415665622 /nfs/dbraw/zinc/66/56/22/415665622.db2.gz HBIWHLLFIJVKGG-MGPLVRAMSA-N 2 1 268.364 2.414 20 0 CEADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276420 415667759 /nfs/dbraw/zinc/66/77/59/415667759.db2.gz CBFVRJYRPIFOSH-PDOTXMHQSA-N 2 1 272.392 2.414 20 0 CEADMP Cc1cccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1C ZINC000665292311 415678545 /nfs/dbraw/zinc/67/85/45/415678545.db2.gz YNYPSOUIGAKLGG-GFCCVEGCSA-N 2 1 286.379 2.109 20 0 CEADMP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(Cl)c1 ZINC000665289676 415679979 /nfs/dbraw/zinc/67/99/79/415679979.db2.gz UOBNKXZTYRXJTF-VIFPVBQESA-N 2 1 292.770 2.145 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c(C)s1 ZINC000665291059 415680424 /nfs/dbraw/zinc/68/04/24/415680424.db2.gz SQPLDIJCXXHKKI-SECBINFHSA-N 2 1 292.408 2.170 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000665295790 415683673 /nfs/dbraw/zinc/68/36/73/415683673.db2.gz IXFBIKQEWFHWEE-XQQFMLRXSA-N 2 1 250.386 2.385 20 0 CEADMP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665300017 415688989 /nfs/dbraw/zinc/68/89/89/415688989.db2.gz WMJWLVXEIXNPDO-XMTFNYHQSA-N 3 1 291.483 2.086 20 0 CEADMP CCCOc1ccc(OCC[N@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071145872 176042150 /nfs/dbraw/zinc/04/21/50/176042150.db2.gz CSVHMGHVRQXUAD-OAHLLOKOSA-N 2 1 292.423 2.396 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000071146845 176042588 /nfs/dbraw/zinc/04/25/88/176042588.db2.gz CHLXHGDDHIWCHH-GFCCVEGCSA-N 2 1 273.355 2.415 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000071146845 176042589 /nfs/dbraw/zinc/04/25/89/176042589.db2.gz CHLXHGDDHIWCHH-GFCCVEGCSA-N 2 1 273.355 2.415 20 0 CEADMP C[NH2+][C@@H](C)c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656456285 415716393 /nfs/dbraw/zinc/71/63/93/415716393.db2.gz XCUZVDHEQGCWMI-DZGCQCFKSA-N 2 1 285.395 2.006 20 0 CEADMP C[C@@H](c1cccs1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251296 415716840 /nfs/dbraw/zinc/71/68/40/415716840.db2.gz CMFFARYRTKGZPR-RYUDHWBXSA-N 2 1 266.410 2.262 20 0 CEADMP c1ccc(C[C@H]2CC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662251170 415717876 /nfs/dbraw/zinc/71/78/76/415717876.db2.gz AIUBHNQHNHUMKY-SJORKVTESA-N 2 1 286.419 2.072 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256867 415724113 /nfs/dbraw/zinc/72/41/13/415724113.db2.gz LYYBFDJYYVXITF-DLBZAZTESA-N 2 1 288.435 2.461 20 0 CEADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCC[NH+](C)C1 ZINC000662261008 415729350 /nfs/dbraw/zinc/72/93/50/415729350.db2.gz SPAMAYIFYYHLMN-HNNXBMFYSA-N 3 1 287.451 2.106 20 0 CEADMP C[NH+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCC[N@H+](C)C1 ZINC000662261008 415729353 /nfs/dbraw/zinc/72/93/53/415729353.db2.gz SPAMAYIFYYHLMN-HNNXBMFYSA-N 3 1 287.451 2.106 20 0 CEADMP C[NH+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCC[N@@H+](C)C1 ZINC000662261008 415729357 /nfs/dbraw/zinc/72/93/57/415729357.db2.gz SPAMAYIFYYHLMN-HNNXBMFYSA-N 3 1 287.451 2.106 20 0 CEADMP CN(Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCC[N@H+](C)C1 ZINC000662261008 415729361 /nfs/dbraw/zinc/72/93/61/415729361.db2.gz SPAMAYIFYYHLMN-HNNXBMFYSA-N 2 1 287.451 2.106 20 0 CEADMP CN(Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCC[N@@H+](C)C1 ZINC000662261008 415729364 /nfs/dbraw/zinc/72/93/64/415729364.db2.gz SPAMAYIFYYHLMN-HNNXBMFYSA-N 2 1 287.451 2.106 20 0 CEADMP CN1CCC[C@H](C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662261008 415729368 /nfs/dbraw/zinc/72/93/68/415729368.db2.gz SPAMAYIFYYHLMN-HNNXBMFYSA-N 2 1 287.451 2.106 20 0 CEADMP CN1CCC[C@H](C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662261008 415729372 /nfs/dbraw/zinc/72/93/72/415729372.db2.gz SPAMAYIFYYHLMN-HNNXBMFYSA-N 2 1 287.451 2.106 20 0 CEADMP COc1cccc(SCC[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000662266850 415732193 /nfs/dbraw/zinc/73/21/93/415732193.db2.gz PNPYEPCODAWKDY-OLZOCXBDSA-N 2 1 280.437 2.456 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1CCC1 ZINC000662266425 415732684 /nfs/dbraw/zinc/73/26/84/415732684.db2.gz YLENFBHEENQTHG-OWCLPIDISA-N 2 1 266.429 2.266 20 0 CEADMP C[N@@H+](CCC[NH3+])CCSc1ccc(F)cc1F ZINC000662246871 415708642 /nfs/dbraw/zinc/70/86/42/415708642.db2.gz UMVIUAFOOZVFLO-UHFFFAOYSA-N 2 1 260.353 2.338 20 0 CEADMP CC(C)C[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250417 415710162 /nfs/dbraw/zinc/71/01/62/415710162.db2.gz HKYYPOLBLZYCEC-ZIAGYGMSSA-N 2 1 252.402 2.018 20 0 CEADMP CCC(CC)C[N@@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251286 415714102 /nfs/dbraw/zinc/71/41/02/415714102.db2.gz CHSDUHJJVJRADV-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](c1cccs1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251292 415714256 /nfs/dbraw/zinc/71/42/56/415714256.db2.gz CMFFARYRTKGZPR-NEPJUHHUSA-N 2 1 266.410 2.262 20 0 CEADMP Cc1nc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cs1 ZINC000662277761 415745519 /nfs/dbraw/zinc/74/55/19/415745519.db2.gz UCIMVOKARXXVEY-TZMCWYRMSA-N 2 1 293.436 2.109 20 0 CEADMP Cc1nc([C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cs1 ZINC000662277761 415745526 /nfs/dbraw/zinc/74/55/26/415745526.db2.gz UCIMVOKARXXVEY-TZMCWYRMSA-N 2 1 293.436 2.109 20 0 CEADMP CO[C@@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CCC1 ZINC000662271477 415736502 /nfs/dbraw/zinc/73/65/02/415736502.db2.gz HKBFQPBPIGWITL-SQNIBIBYSA-N 2 1 288.435 2.476 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H](OC)C2CCCC2)CC[C@H]1[NH3+] ZINC000662271768 415736678 /nfs/dbraw/zinc/73/66/78/415736678.db2.gz IWLXHSYOMHPUPV-BPLDGKMQSA-N 2 1 254.418 2.251 20 0 CEADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000662295914 415760279 /nfs/dbraw/zinc/76/02/79/415760279.db2.gz NYDVSIZMDXWGFB-KRWDZBQOSA-N 2 1 287.451 2.346 20 0 CEADMP CCc1noc([C@@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662299022 415763666 /nfs/dbraw/zinc/76/36/66/415763666.db2.gz ZHBBGFQQVQYKDE-TZMCWYRMSA-N 2 1 292.427 2.405 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cn(C(C)(C)C)nn2)[C@@H]1CCC[NH3+] ZINC000662312158 415772092 /nfs/dbraw/zinc/77/20/92/415772092.db2.gz HATHOFLXDADIJE-UKRRQHHQSA-N 2 1 293.459 2.373 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000662310059 415772915 /nfs/dbraw/zinc/77/29/15/415772915.db2.gz GSUBDIYIILCCHH-CYBMUJFWSA-N 2 1 260.381 2.053 20 0 CEADMP Cc1nocc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315659 415774682 /nfs/dbraw/zinc/77/46/82/415774682.db2.gz RSIVPIGTIIHEQR-BXUZGUMPSA-N 2 1 251.374 2.322 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCOC(C)(C)C)CCO1 ZINC000662319109 415775992 /nfs/dbraw/zinc/77/59/92/415775992.db2.gz DNJZVEWXIAXJBP-HNNXBMFYSA-N 2 1 286.460 2.234 20 0 CEADMP CC(C)Cn1ncnc1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662317310 415776753 /nfs/dbraw/zinc/77/67/53/415776753.db2.gz PXTWJHGYFYHUEO-HUUCEWRRSA-N 2 1 293.459 2.274 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]1C[NH3+] ZINC000662284072 415750950 /nfs/dbraw/zinc/75/09/50/415750950.db2.gz SQXARBCYNUNDOF-JKIFEVAISA-N 3 1 287.451 2.138 20 0 CEADMP CCc1nocc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000662285195 415751902 /nfs/dbraw/zinc/75/19/02/415751902.db2.gz ZHHJUCLUMBWIBD-BMFZPTHFSA-N 2 1 293.411 2.098 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc3c1CC[NH2+]C3)CC[NH2+]CC2 ZINC000662283455 415753932 /nfs/dbraw/zinc/75/39/32/415753932.db2.gz OLAXDZTWRFQADO-OAHLLOKOSA-N 3 1 299.462 2.296 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000659876708 415757516 /nfs/dbraw/zinc/75/75/16/415757516.db2.gz LYCIDZNCPXNZRZ-AWEZNQCLSA-N 2 1 290.398 2.463 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OC ZINC000659880054 415757658 /nfs/dbraw/zinc/75/76/58/415757658.db2.gz ZYEVHQJMQCOGAD-SJORKVTESA-N 2 1 298.471 2.236 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](OC)C2CCCC2)C1 ZINC000659990247 415833369 /nfs/dbraw/zinc/83/33/69/415833369.db2.gz ZGAGUKKRWUYPAS-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](OC)C2CCCC2)C1 ZINC000659990247 415833371 /nfs/dbraw/zinc/83/33/71/415833371.db2.gz ZGAGUKKRWUYPAS-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH2+]C(C)C)C1 ZINC000662454258 415850463 /nfs/dbraw/zinc/85/04/63/415850463.db2.gz MCXPDOVBWXIXTR-CQSZACIVSA-N 2 1 283.460 2.001 20 0 CEADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1COC(C)(C)C1 ZINC000659959400 415808889 /nfs/dbraw/zinc/80/88/89/415808889.db2.gz DQPDBJMIPDSUSY-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1COC(C)(C)C1 ZINC000659959400 415808894 /nfs/dbraw/zinc/80/88/94/415808894.db2.gz DQPDBJMIPDSUSY-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1COC(C)(C)C1 ZINC000659959400 415808902 /nfs/dbraw/zinc/80/89/02/415808902.db2.gz DQPDBJMIPDSUSY-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1COC(C)(C)C1 ZINC000659959400 415808907 /nfs/dbraw/zinc/80/89/07/415808907.db2.gz DQPDBJMIPDSUSY-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP COc1ccc([C@@H](C)N(C)C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000656693602 415816442 /nfs/dbraw/zinc/81/64/42/415816442.db2.gz BQCLJEJXAVNYLP-GDBMZVCRSA-N 2 1 294.439 2.389 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659976078 415819978 /nfs/dbraw/zinc/81/99/78/415819978.db2.gz QBEVFEZJAKUVFP-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C1CCC1 ZINC000659983009 415826814 /nfs/dbraw/zinc/82/68/14/415826814.db2.gz BJGQTSGJKAMKDD-VHDGCEQUSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C1CCC1 ZINC000659983009 415826819 /nfs/dbraw/zinc/82/68/19/415826819.db2.gz BJGQTSGJKAMKDD-VHDGCEQUSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)C1CCC1 ZINC000659983009 415826821 /nfs/dbraw/zinc/82/68/21/415826821.db2.gz BJGQTSGJKAMKDD-VHDGCEQUSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCC1 ZINC000659983009 415826826 /nfs/dbraw/zinc/82/68/26/415826826.db2.gz BJGQTSGJKAMKDD-VHDGCEQUSA-N 2 1 254.418 2.216 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000662622729 415908751 /nfs/dbraw/zinc/90/87/51/415908751.db2.gz TVHLJCYATSECQF-GJZGRUSLSA-N 2 1 289.423 2.066 20 0 CEADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H](C)[NH3+] ZINC000662669064 415926498 /nfs/dbraw/zinc/92/64/98/415926498.db2.gz URUVYASFGQBZGQ-YCPHGPKFSA-N 2 1 295.471 2.129 20 0 CEADMP C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@H]1CCOC1 ZINC000656782363 415858658 /nfs/dbraw/zinc/85/86/58/415858658.db2.gz FMFZCHSUQJLBJT-GOEBONIOSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184224344 287349261 /nfs/dbraw/zinc/34/92/61/287349261.db2.gz FTZNASBLLWXPLU-OAHLLOKOSA-N 2 1 295.471 2.134 20 0 CEADMP CC[C@@](C)(O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000364643676 287393197 /nfs/dbraw/zinc/39/31/97/287393197.db2.gz WRGYHHCQYFCIQW-UKRRQHHQSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000364643676 287393198 /nfs/dbraw/zinc/39/31/98/287393198.db2.gz WRGYHHCQYFCIQW-UKRRQHHQSA-N 2 1 254.418 2.096 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccnn3C)CC2)[nH+]c1 ZINC000192894945 227343463 /nfs/dbraw/zinc/34/34/63/227343463.db2.gz XKCMAEKANXYSSZ-CQSZACIVSA-N 2 1 299.422 2.443 20 0 CEADMP c1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)n(-c2ccccc2)n1 ZINC000666857857 419450908 /nfs/dbraw/zinc/45/09/08/419450908.db2.gz MNHZNSHPBCQTMM-CQSZACIVSA-N 2 1 270.380 2.104 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC34CC[NH2+]CC4)CC[NH2+]2)cc1 ZINC000666955365 419493951 /nfs/dbraw/zinc/49/39/51/419493951.db2.gz BVNQGIRUPVJSDR-IKGGRYGDSA-N 3 1 285.435 2.211 20 0 CEADMP C[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667471992 419686095 /nfs/dbraw/zinc/68/60/95/419686095.db2.gz SUKYVMLDZMSFMK-CYBMUJFWSA-N 2 1 256.353 2.499 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667471992 419686102 /nfs/dbraw/zinc/68/61/02/419686102.db2.gz SUKYVMLDZMSFMK-CYBMUJFWSA-N 2 1 256.353 2.499 20 0 CEADMP COCCN(Cc1cccs1)Cc1c[nH+]c(C)n1C ZINC000667485128 419694804 /nfs/dbraw/zinc/69/48/04/419694804.db2.gz HZBCNKIZUXNJPO-UHFFFAOYSA-N 2 1 279.409 2.439 20 0 CEADMP Cc1ncc(CN(CCCO)Cc2ccccc2)n1C ZINC000667599472 419725761 /nfs/dbraw/zinc/72/57/61/419725761.db2.gz WEHUTSVACLWTSN-UHFFFAOYSA-N 2 1 273.380 2.113 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2ccnn2CC2CC2)[C@H](C)C1 ZINC000667666156 419765219 /nfs/dbraw/zinc/76/52/19/419765219.db2.gz DORSRUUBXLQIGD-PBHICJAKSA-N 2 1 290.455 2.455 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccnn2CC2CC2)[C@@H](C)C1 ZINC000667666158 419765447 /nfs/dbraw/zinc/76/54/47/419765447.db2.gz DORSRUUBXLQIGD-WMLDXEAASA-N 2 1 290.455 2.455 20 0 CEADMP COc1cc(C)ccc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000449245827 260308740 /nfs/dbraw/zinc/30/87/40/260308740.db2.gz CCKLHCMZNSDASP-UHFFFAOYSA-N 2 1 260.381 2.355 20 0 CEADMP C[N@@H+](CCc1nccs1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000518199858 260354535 /nfs/dbraw/zinc/35/45/35/260354535.db2.gz FCQKNZRQSUXVDY-UHFFFAOYSA-N 2 1 287.432 2.463 20 0 CEADMP COc1nccnc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000449081344 261263077 /nfs/dbraw/zinc/26/30/77/261263077.db2.gz DNDVQMJCIQGGDG-AWEZNQCLSA-N 2 1 292.427 2.229 20 0 CEADMP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000390432652 262192750 /nfs/dbraw/zinc/19/27/50/262192750.db2.gz QIAABBVOISPPLJ-QGZVFWFLSA-N 2 1 284.407 2.163 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](CCC[NH3+])CC2CCCC2)CC[NH2+]1 ZINC000414774331 263043264 /nfs/dbraw/zinc/04/32/64/263043264.db2.gz BFPHVOXGSLYUBF-GOEBONIOSA-N 3 1 267.461 2.216 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cn1 ZINC000414774111 263043708 /nfs/dbraw/zinc/04/37/08/263043708.db2.gz YFXPEONDGCHTBZ-CJNGLKHVSA-N 2 1 261.413 2.382 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cn1 ZINC000414774111 263043709 /nfs/dbraw/zinc/04/37/09/263043709.db2.gz YFXPEONDGCHTBZ-CJNGLKHVSA-N 2 1 261.413 2.382 20 0 CEADMP C[C@H](Cc1cnccn1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000453073627 263184892 /nfs/dbraw/zinc/18/48/92/263184892.db2.gz FQCHUGVRSXCDHT-CQSZACIVSA-N 2 1 276.428 2.262 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc(N(C)C)n2C)CC(C)(C)C1 ZINC000425353953 264126332 /nfs/dbraw/zinc/12/63/32/264126332.db2.gz NPMKUTSFVZTLNA-GFCCVEGCSA-N 2 1 264.417 2.354 20 0 CEADMP COc1ccc(C[C@H](C)C[N@@H+]2CCC[NH2+]CC2)cc1F ZINC000041436136 270227358 /nfs/dbraw/zinc/22/73/58/270227358.db2.gz AMLOGXCIGNGHAW-ZDUSSCGKSA-N 2 1 280.387 2.308 20 0 CEADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[NH2+]CC2)cc1F ZINC000041436136 270227359 /nfs/dbraw/zinc/22/73/59/270227359.db2.gz AMLOGXCIGNGHAW-ZDUSSCGKSA-N 2 1 280.387 2.308 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)CC(F)(F)F)CC1 ZINC000189502572 270263087 /nfs/dbraw/zinc/26/30/87/270263087.db2.gz OQDNNKNXKHJYQH-GFCCVEGCSA-N 2 1 282.350 2.106 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CC2CCC2)CC1 ZINC000192738858 270279454 /nfs/dbraw/zinc/27/94/54/270279454.db2.gz AQVCBXOLXCFJCL-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000235735062 270315398 /nfs/dbraw/zinc/31/53/98/270315398.db2.gz LWJIUOADMLHACD-MRXNPFEDSA-N 2 1 255.365 2.406 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)[C@@H]1CCCC[NH2+]1 ZINC000395109555 270344867 /nfs/dbraw/zinc/34/48/67/270344867.db2.gz ZAGDOVMUTZPMJF-HIFRSBDPSA-N 2 1 290.407 2.121 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398140408 270356807 /nfs/dbraw/zinc/35/68/07/270356807.db2.gz WCWIQDXQPIMSOK-UBDQQSCGSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])CN1Cc1ccccc1 ZINC000398140408 270356810 /nfs/dbraw/zinc/35/68/10/270356810.db2.gz WCWIQDXQPIMSOK-UBDQQSCGSA-N 2 1 287.451 2.366 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)[C@H]1CCCCO1 ZINC000420334316 270520490 /nfs/dbraw/zinc/52/04/90/270520490.db2.gz UEGKWTCPIAPZMQ-BZUAXINKSA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+]C[C@@H]([NH2+]CCOCC(F)(F)F)C1CCCCC1 ZINC000420373997 270531334 /nfs/dbraw/zinc/53/13/34/270531334.db2.gz RQOUHPBGGIMIMG-LLVKDONJSA-N 2 1 268.323 2.063 20 0 CEADMP [NH3+]CCOCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000420381500 270533011 /nfs/dbraw/zinc/53/30/11/270533011.db2.gz XKRYRZWSYWNOLE-NSHDSACASA-N 2 1 280.334 2.016 20 0 CEADMP CCc1ccc([C@H](C[NH2+][C@H](C)C2C[NH2+]C2)N(C)C)cc1 ZINC000422727519 270742191 /nfs/dbraw/zinc/74/21/91/270742191.db2.gz CUSXZJRKCXMMIU-DYVFJYSZSA-N 2 1 275.440 2.049 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422767872 270759135 /nfs/dbraw/zinc/75/91/35/270759135.db2.gz SMQQKJOIVVYOLQ-QRNKSROTSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422767872 270759136 /nfs/dbraw/zinc/75/91/36/270759136.db2.gz SMQQKJOIVVYOLQ-QRNKSROTSA-N 3 1 267.461 2.214 20 0 CEADMP CC[C@H]([NH2+]CCOC1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422948954 270804697 /nfs/dbraw/zinc/80/46/97/270804697.db2.gz TVSLFBVDJCEPGF-GJZGRUSLSA-N 2 1 254.418 2.456 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1Cl)[C@H]1CCC[NH2+]1 ZINC000423120763 270842474 /nfs/dbraw/zinc/84/24/74/270842474.db2.gz HMEZBXSZQUOOGT-TYNCELHUSA-N 2 1 282.815 2.146 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(C)c1OC ZINC000423230322 270877786 /nfs/dbraw/zinc/87/77/86/270877786.db2.gz DIYZSOVGORSWJD-IUODEOHRSA-N 2 1 292.423 2.285 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000423257893 270883470 /nfs/dbraw/zinc/88/34/70/270883470.db2.gz ANOUDJTYRYSEGG-MXWKQRLJSA-N 2 1 268.323 2.059 20 0 CEADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)[C@@H]1CCOC1 ZINC000423266073 270883770 /nfs/dbraw/zinc/88/37/70/270883770.db2.gz RTQZSXOJRCLWFP-QLFBSQMISA-N 2 1 254.418 2.299 20 0 CEADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)CCC2 ZINC000423277076 270887016 /nfs/dbraw/zinc/88/70/16/270887016.db2.gz PCHJSTBHVRUUER-QWRGUYRKSA-N 2 1 253.415 2.402 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000423302647 270892824 /nfs/dbraw/zinc/89/28/24/270892824.db2.gz HPWMKDKSJRMRNO-OLZOCXBDSA-N 2 1 272.396 2.333 20 0 CEADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccncc1F ZINC000423347748 270902165 /nfs/dbraw/zinc/90/21/65/270902165.db2.gz RYJBDVXIJWBCSE-SMDDNHRTSA-N 2 1 251.349 2.261 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2[NH2+]CCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000423429559 270912171 /nfs/dbraw/zinc/91/21/71/270912171.db2.gz PAVIHERKTYLRBS-CADBVGFASA-N 2 1 299.462 2.336 20 0 CEADMP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423486672 270917012 /nfs/dbraw/zinc/91/70/12/270917012.db2.gz BUZYHPFKMNMANG-HOCLYGCPSA-N 2 1 278.371 2.171 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CC12CCSCC2 ZINC000423564760 270926160 /nfs/dbraw/zinc/92/61/60/270926160.db2.gz YEETZDTWSWHUCG-UPJWGTAASA-N 2 1 254.443 2.107 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC000424257260 271035952 /nfs/dbraw/zinc/03/59/52/271035952.db2.gz BCSWJPACNCWEOW-LMRVLLHPSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC000424257260 271035957 /nfs/dbraw/zinc/03/59/57/271035957.db2.gz BCSWJPACNCWEOW-LMRVLLHPSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000424257263 271036259 /nfs/dbraw/zinc/03/62/59/271036259.db2.gz BCSWJPACNCWEOW-ZUJMUWTESA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC000424257263 271036261 /nfs/dbraw/zinc/03/62/61/271036261.db2.gz BCSWJPACNCWEOW-ZUJMUWTESA-N 2 1 282.428 2.181 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CCC[NH+]1CCCCC1)CC[NH2+]CC2 ZINC000424295846 271041581 /nfs/dbraw/zinc/04/15/81/271041581.db2.gz RJGSLMJDOYOXBU-INIZCTEOSA-N 3 1 279.472 2.326 20 0 CEADMP C[C@H]1CC2(C[N@@H+]1CCCN1CCCCC1)CC[NH2+]CC2 ZINC000424295846 271041584 /nfs/dbraw/zinc/04/15/84/271041584.db2.gz RJGSLMJDOYOXBU-INIZCTEOSA-N 2 1 279.472 2.326 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CCCN1CCCCC1)CC[NH2+]CC2 ZINC000424295846 271041588 /nfs/dbraw/zinc/04/15/88/271041588.db2.gz RJGSLMJDOYOXBU-INIZCTEOSA-N 2 1 279.472 2.326 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000424430291 271054824 /nfs/dbraw/zinc/05/48/24/271054824.db2.gz ZVHGIILQCPKSTO-IUODEOHRSA-N 2 1 290.411 2.058 20 0 CEADMP COC1(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000429522160 271336618 /nfs/dbraw/zinc/33/66/18/271336618.db2.gz SPIVSKDMTCQFML-MJBXVCDLSA-N 2 1 254.418 2.406 20 0 CEADMP COC1(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000429522160 271336621 /nfs/dbraw/zinc/33/66/21/271336621.db2.gz SPIVSKDMTCQFML-MJBXVCDLSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@H]1CCC[N@H+](CCC(=O)NCC2CCCCC2)[C@H]1C[NH3+] ZINC000430546814 271388856 /nfs/dbraw/zinc/38/88/56/271388856.db2.gz KFWHKWPFEMQZFU-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)[C@H]1C[NH3+] ZINC000430546814 271388857 /nfs/dbraw/zinc/38/88/57/271388857.db2.gz KFWHKWPFEMQZFU-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@](C[NH3+])([NH2+]Cc1ccc(-n2cccn2)cc1)C1CC1 ZINC000430563114 271390289 /nfs/dbraw/zinc/39/02/89/271390289.db2.gz URZGFEFHLIPDRT-MRXNPFEDSA-N 2 1 270.380 2.089 20 0 CEADMP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430591452 271395923 /nfs/dbraw/zinc/39/59/23/271395923.db2.gz FROQYHJDEYPSQC-YIDVYQOGSA-N 2 1 295.471 2.129 20 0 CEADMP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430591452 271395925 /nfs/dbraw/zinc/39/59/25/271395925.db2.gz FROQYHJDEYPSQC-YIDVYQOGSA-N 2 1 295.471 2.129 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)NCC1CCCCC1 ZINC000430602683 271397693 /nfs/dbraw/zinc/39/76/93/271397693.db2.gz HSQBVOFPNSRQNN-GDBMZVCRSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)NCC1CCCCC1 ZINC000430602683 271397695 /nfs/dbraw/zinc/39/76/95/271397695.db2.gz HSQBVOFPNSRQNN-GDBMZVCRSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442875199 271839745 /nfs/dbraw/zinc/83/97/45/271839745.db2.gz ONQAZSKJERKIEZ-HUUCEWRRSA-N 2 1 281.488 2.427 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246976406 280316485 /nfs/dbraw/zinc/31/64/85/280316485.db2.gz JVNQUKGSECCJOZ-LXTVHRRPSA-N 2 1 255.450 2.035 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000246976406 280316487 /nfs/dbraw/zinc/31/64/87/280316487.db2.gz JVNQUKGSECCJOZ-LXTVHRRPSA-N 2 1 255.450 2.035 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCC[C@@H](CO)C1 ZINC000342258738 273823361 /nfs/dbraw/zinc/82/33/61/273823361.db2.gz ZBTFMKQHQNCCKC-ZIAGYGMSSA-N 2 1 277.412 2.036 20 0 CEADMP COc1ccc2ccccc2c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320038 274141589 /nfs/dbraw/zinc/14/15/89/274141589.db2.gz FAJWHVLTFPDLMO-GASCZTMLSA-N 2 1 282.387 2.500 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414909649 274307864 /nfs/dbraw/zinc/30/78/64/274307864.db2.gz CBRIWYWMMIJPKG-VCTAVGKDSA-N 2 1 264.800 2.395 20 0 CEADMP Brc1c[nH+]ccc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334995910 275377565 /nfs/dbraw/zinc/37/75/65/275377565.db2.gz OHYIQYMTOPRDIA-ZDUSSCGKSA-N 2 1 296.212 2.424 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000251318130 276003152 /nfs/dbraw/zinc/00/31/52/276003152.db2.gz LRVUOIMUDJJWGP-JJXSEGSLSA-N 2 1 266.429 2.406 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)O1 ZINC000248564718 276116864 /nfs/dbraw/zinc/11/68/64/276116864.db2.gz IAVMUGZYMLCETN-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2COc3ccc(OC)cc3C2)CC1 ZINC000296086710 276151833 /nfs/dbraw/zinc/15/18/33/276151833.db2.gz SXGUNMFJAOFYQB-HNNXBMFYSA-N 2 1 290.407 2.073 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)[C@H](C)C1 ZINC000414279065 276229415 /nfs/dbraw/zinc/22/94/15/276229415.db2.gz IRZTWPFCCWKYLS-QTVXIADOSA-N 2 1 254.418 2.120 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C3CCCC3)C2)[C@@H](C)C1 ZINC000345176823 276231453 /nfs/dbraw/zinc/23/14/53/276231453.db2.gz ZJIPXIWNFIHQGZ-ZOBUZTSGSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@@H](C)C1 ZINC000345176823 276231454 /nfs/dbraw/zinc/23/14/54/276231454.db2.gz ZJIPXIWNFIHQGZ-ZOBUZTSGSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C3CCCC3)C2)[C@@H](C)C1 ZINC000345176823 276231457 /nfs/dbraw/zinc/23/14/57/276231457.db2.gz ZJIPXIWNFIHQGZ-ZOBUZTSGSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000338310987 276324051 /nfs/dbraw/zinc/32/40/51/276324051.db2.gz AXTITNYGIRNYNV-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000353913499 276331202 /nfs/dbraw/zinc/33/12/02/276331202.db2.gz JCRZFHVCUDCMIG-OFQRWUPVSA-N 2 1 266.429 2.266 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000334673793 277031299 /nfs/dbraw/zinc/03/12/99/277031299.db2.gz SNMYFZHRANPONX-OAHLLOKOSA-N 2 1 260.381 2.064 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCc3cccnc3CC2)CC1 ZINC000335021957 277031464 /nfs/dbraw/zinc/03/14/64/277031464.db2.gz PNUJNEWERIXIAF-AWEZNQCLSA-N 2 1 259.397 2.013 20 0 CEADMP C[NH+]1CCC([NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000373162932 277031514 /nfs/dbraw/zinc/03/15/14/277031514.db2.gz FLQJGUPRHYVSGC-NVXWUHKLSA-N 2 1 274.408 2.448 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CC[C@H]3CCCCO3)CC[C@@H]21 ZINC000347445499 277068308 /nfs/dbraw/zinc/06/83/08/277068308.db2.gz SZMBQNLNOYBKNL-OAGGEKHMSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CC[C@H]3CCCCO3)CC[C@@H]21 ZINC000347445499 277068309 /nfs/dbraw/zinc/06/83/09/277068309.db2.gz SZMBQNLNOYBKNL-OAGGEKHMSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)CC[C@@H]21 ZINC000347445499 277068311 /nfs/dbraw/zinc/06/83/11/277068311.db2.gz SZMBQNLNOYBKNL-OAGGEKHMSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3Cc4ccccc4[C@H]3O)CC[C@@H]21 ZINC000250553527 277069198 /nfs/dbraw/zinc/06/91/98/277069198.db2.gz AQCSSOKTGJJBMN-BZZMCLGOSA-N 2 1 286.419 2.061 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3Cc4ccccc4[C@H]3O)CC[C@@H]21 ZINC000250553527 277069199 /nfs/dbraw/zinc/06/91/99/277069199.db2.gz AQCSSOKTGJJBMN-BZZMCLGOSA-N 2 1 286.419 2.061 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3Cc4ccccc4[C@H]3O)CC[C@@H]21 ZINC000250553527 277069200 /nfs/dbraw/zinc/06/92/00/277069200.db2.gz AQCSSOKTGJJBMN-BZZMCLGOSA-N 2 1 286.419 2.061 20 0 CEADMP CC(C)CCOCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158556376 277357154 /nfs/dbraw/zinc/35/71/54/277357154.db2.gz XKYBDXRDXUQGLV-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158556376 277357155 /nfs/dbraw/zinc/35/71/55/277357155.db2.gz XKYBDXRDXUQGLV-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158556376 277357156 /nfs/dbraw/zinc/35/71/56/277357156.db2.gz XKYBDXRDXUQGLV-CVEARBPZSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170946 277376587 /nfs/dbraw/zinc/37/65/87/277376587.db2.gz OVEJMCZTAKXLRQ-MRXNPFEDSA-N 2 1 297.487 2.188 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCCC[C@H]2[C@@H](C)[NH3+])c1C ZINC000063196027 277782724 /nfs/dbraw/zinc/78/27/24/277782724.db2.gz SPLJELOLEOIDES-HIFRSBDPSA-N 2 1 277.412 2.409 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CS1 ZINC000414234075 278028423 /nfs/dbraw/zinc/02/84/23/278028423.db2.gz SGVHXEPNXPVHLE-XVIXHAIJSA-N 2 1 254.443 2.343 20 0 CEADMP C[C@@H]1[N@@H+](CC[C@H]2CCC[NH+]2C)CCC12CCOCC2 ZINC000335998131 278044380 /nfs/dbraw/zinc/04/43/80/278044380.db2.gz NHGRLSURBJLPKV-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1[NH+](CC[C@H]2CCC[N@@H+]2C)CCC12CCOCC2 ZINC000335998131 278044382 /nfs/dbraw/zinc/04/43/82/278044382.db2.gz NHGRLSURBJLPKV-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1[NH+](CC[C@H]2CCC[N@H+]2C)CCC12CCOCC2 ZINC000335998131 278044384 /nfs/dbraw/zinc/04/43/84/278044384.db2.gz NHGRLSURBJLPKV-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP CC/C=C/CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373343735 278164304 /nfs/dbraw/zinc/16/43/04/278164304.db2.gz DXGHGOBXLQMXNT-CSLAMCDYSA-N 2 1 279.472 2.301 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253880 278212278 /nfs/dbraw/zinc/21/22/78/278212278.db2.gz HFUJYMCPZXMEOP-HNNXBMFYSA-N 2 1 289.423 2.419 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253880 278212279 /nfs/dbraw/zinc/21/22/79/278212279.db2.gz HFUJYMCPZXMEOP-HNNXBMFYSA-N 2 1 289.423 2.419 20 0 CEADMP CC(=O)Nc1ccccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000092253880 278212281 /nfs/dbraw/zinc/21/22/81/278212281.db2.gz HFUJYMCPZXMEOP-HNNXBMFYSA-N 2 1 289.423 2.419 20 0 CEADMP CC(=O)Nc1ccccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253880 278212282 /nfs/dbraw/zinc/21/22/82/278212282.db2.gz HFUJYMCPZXMEOP-HNNXBMFYSA-N 2 1 289.423 2.419 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCOC1 ZINC000247164319 278254861 /nfs/dbraw/zinc/25/48/61/278254861.db2.gz SHUODCFBZVMZSF-UUQIVFDPSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCOC1 ZINC000247164319 278254862 /nfs/dbraw/zinc/25/48/62/278254862.db2.gz SHUODCFBZVMZSF-UUQIVFDPSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H](C)C1CCCCC1 ZINC000154311335 278263456 /nfs/dbraw/zinc/26/34/56/278263456.db2.gz WIRZDRWKNHLVEK-IPYPFGDCSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261915403 278303627 /nfs/dbraw/zinc/30/36/27/278303627.db2.gz ZHQQCQTVCNFLFG-COXVUDFISA-N 2 1 274.408 2.310 20 0 CEADMP CC(C)(C)[NH2+]CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000414710258 278369895 /nfs/dbraw/zinc/36/98/95/278369895.db2.gz PTYFLEIUERYLME-ZBFHGGJFSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000359658980 288079544 /nfs/dbraw/zinc/07/95/44/288079544.db2.gz FTZRXSLCVLVVQP-YUELXQCFSA-N 2 1 281.469 2.281 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000340206914 279094288 /nfs/dbraw/zinc/09/42/88/279094288.db2.gz RKLODKXMHUXYPZ-CABCVRRESA-N 2 1 256.434 2.201 20 0 CEADMP CC(C)C[C@H](C)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414776788 279096270 /nfs/dbraw/zinc/09/62/70/279096270.db2.gz HSZUSKKWPBIAGN-LSDHHAIUSA-N 2 1 268.445 2.356 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000344205600 279100674 /nfs/dbraw/zinc/10/06/74/279100674.db2.gz QFZKGUIQFRBREM-OAGGEKHMSA-N 2 1 297.487 2.486 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000354349455 279132740 /nfs/dbraw/zinc/13/27/40/279132740.db2.gz SNKCQUBUGZTMSG-LJISPDSOSA-N 2 1 284.444 2.284 20 0 CEADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000173597555 279135104 /nfs/dbraw/zinc/13/51/04/279135104.db2.gz IMUJLIWJBZSHAG-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000358302271 288107604 /nfs/dbraw/zinc/10/76/04/288107604.db2.gz QAGACSHDIZKFOU-APIJFGDWSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H](C1CCCCC1)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414764745 279243124 /nfs/dbraw/zinc/24/31/24/279243124.db2.gz ZCLRHAUADLPFAH-HUUCEWRRSA-N 2 1 295.471 2.084 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000246935553 279257083 /nfs/dbraw/zinc/25/70/83/279257083.db2.gz GSIUYEFMQOGGEU-HLLBOEOZSA-N 3 1 281.488 2.427 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)CC1 ZINC000246935553 279257086 /nfs/dbraw/zinc/25/70/86/279257086.db2.gz GSIUYEFMQOGGEU-HLLBOEOZSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CCOC)CC1 ZINC000337407379 279262221 /nfs/dbraw/zinc/26/22/21/279262221.db2.gz SZWZDBUHWLSLQT-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](CC[NH3+])[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000414876415 279262434 /nfs/dbraw/zinc/26/24/34/279262434.db2.gz DLFRJUZPKNCRQU-SECBINFHSA-N 2 1 266.776 2.054 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000310006038 279280246 /nfs/dbraw/zinc/28/02/46/279280246.db2.gz VMBVDXXUQJPPNY-VYDXJSESSA-N 2 1 275.440 2.189 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000310006038 279280250 /nfs/dbraw/zinc/28/02/50/279280250.db2.gz VMBVDXXUQJPPNY-VYDXJSESSA-N 2 1 275.440 2.189 20 0 CEADMP C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000400459187 279348383 /nfs/dbraw/zinc/34/83/83/279348383.db2.gz QYJBOHVOYTYWKE-VYDXJSESSA-N 2 1 275.440 2.237 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CC(C(F)(F)F)C2)CC[N@@H+]1C ZINC000336323243 280007840 /nfs/dbraw/zinc/00/78/40/280007840.db2.gz LPLUOVPLHRGHIX-QPBDYMMBSA-N 2 1 250.308 2.400 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CC(C(F)(F)F)C2)CC[N@H+]1C ZINC000336323243 280007842 /nfs/dbraw/zinc/00/78/42/280007842.db2.gz LPLUOVPLHRGHIX-QPBDYMMBSA-N 2 1 250.308 2.400 20 0 CEADMP CC[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+](CC)CC ZINC000346256725 280075230 /nfs/dbraw/zinc/07/52/30/280075230.db2.gz YRRJCIWYWFOTSF-UYTSQGDYSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC[N@@H+]1C ZINC000245912691 280265841 /nfs/dbraw/zinc/26/58/41/280265841.db2.gz PNGSZUSZRGFESI-OXGONZEZSA-N 2 1 278.440 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC[N@H+]1C ZINC000245912691 280265842 /nfs/dbraw/zinc/26/58/42/280265842.db2.gz PNGSZUSZRGFESI-OXGONZEZSA-N 2 1 278.440 2.406 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000246256720 280283775 /nfs/dbraw/zinc/28/37/75/280283775.db2.gz KJTKKTLNHMKQKC-BZUAXINKSA-N 2 1 295.471 2.227 20 0 CEADMP CO[C@@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@@H](OC)C2)C1 ZINC000246843942 280311741 /nfs/dbraw/zinc/31/17/41/280311741.db2.gz CQCSHFSULFEQRO-IAGOWNOFSA-N 2 1 298.471 2.378 20 0 CEADMP C(C1CCOCC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246860849 280312197 /nfs/dbraw/zinc/31/21/97/280312197.db2.gz POZFXIVOVZSDNB-NVXWUHKLSA-N 2 1 278.440 2.362 20 0 CEADMP C(C1CCOCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246860849 280312198 /nfs/dbraw/zinc/31/21/98/280312198.db2.gz POZFXIVOVZSDNB-NVXWUHKLSA-N 2 1 278.440 2.362 20 0 CEADMP C(C1CCOCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246860849 280312199 /nfs/dbraw/zinc/31/21/99/280312199.db2.gz POZFXIVOVZSDNB-NVXWUHKLSA-N 2 1 278.440 2.362 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000246976406 280316484 /nfs/dbraw/zinc/31/64/84/280316484.db2.gz JVNQUKGSECCJOZ-LXTVHRRPSA-N 2 1 255.450 2.035 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCOC1 ZINC000247890602 280340969 /nfs/dbraw/zinc/34/09/69/280340969.db2.gz FGPXUVXXUZATGR-KKUMJFAQSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000248074129 280342346 /nfs/dbraw/zinc/34/23/46/280342346.db2.gz MTNXTUFCSOLMIU-JSGCOSHPSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000248074129 280342347 /nfs/dbraw/zinc/34/23/47/280342347.db2.gz MTNXTUFCSOLMIU-JSGCOSHPSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000248074129 280342348 /nfs/dbraw/zinc/34/23/48/280342348.db2.gz MTNXTUFCSOLMIU-JSGCOSHPSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000248074129 280342349 /nfs/dbraw/zinc/34/23/49/280342349.db2.gz MTNXTUFCSOLMIU-JSGCOSHPSA-N 2 1 265.426 2.368 20 0 CEADMP CC(C)OC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248566229 280352998 /nfs/dbraw/zinc/35/29/98/280352998.db2.gz KUJFBSPSLFQUDO-YQQAZPJKSA-N 2 1 298.471 2.015 20 0 CEADMP COc1ccccc1C1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422844156 280933685 /nfs/dbraw/zinc/93/36/85/280933685.db2.gz KZJJYIOSGWSLLW-DZGCQCFKSA-N 2 1 274.408 2.457 20 0 CEADMP CC1CC[NH+](CCCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422875383 280944976 /nfs/dbraw/zinc/94/49/76/280944976.db2.gz FBDKLIOVQFUFBH-JKSUJKDBSA-N 3 1 267.461 2.086 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423031496 281001748 /nfs/dbraw/zinc/00/17/48/281001748.db2.gz LCMUGUZBHJEWBL-DZGCQCFKSA-N 2 1 284.407 2.268 20 0 CEADMP COCCC(C)(C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423031441 281002009 /nfs/dbraw/zinc/00/20/09/281002009.db2.gz DINCOAMKTOLLOR-NSHDSACASA-N 2 1 251.374 2.207 20 0 CEADMP CC[NH+](CC)CCOCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423031806 281002526 /nfs/dbraw/zinc/00/25/26/281002526.db2.gz DRUPRCYKLJKYPV-SJORKVTESA-N 3 1 291.439 2.079 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1(C)C ZINC000423048282 281009332 /nfs/dbraw/zinc/00/93/32/281009332.db2.gz IGTRKUZAZQQYKO-ZOBORPQBSA-N 2 1 254.418 2.166 20 0 CEADMP CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423054436 281013100 /nfs/dbraw/zinc/01/31/00/281013100.db2.gz UKJKIVFOGKJPJW-TUVASFSCSA-N 2 1 254.418 2.310 20 0 CEADMP C[C@H]([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423162802 281021290 /nfs/dbraw/zinc/02/12/90/281021290.db2.gz QFWLWZRVFOOLLQ-MGPQQGTHSA-N 2 1 254.443 2.204 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423417588 281035907 /nfs/dbraw/zinc/03/59/07/281035907.db2.gz HAPXPZWLAJXHGP-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423426716 281038731 /nfs/dbraw/zinc/03/87/31/281038731.db2.gz HVYNNMOQNXFUGR-CVEARBPZSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423446108 281044545 /nfs/dbraw/zinc/04/45/45/281044545.db2.gz NUHCOLSCMZOPPP-UTUOFQBUSA-N 2 1 290.411 2.357 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2CCc3ccccc3OC2)C[C@@]1(C)C[NH3+] ZINC000423513778 281058679 /nfs/dbraw/zinc/05/86/79/281058679.db2.gz SFAWKIKQIMPVKB-FRFSOERESA-N 2 1 274.408 2.297 20 0 CEADMP CCc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C(C)C)cc1 ZINC000423514694 281059482 /nfs/dbraw/zinc/05/94/82/281059482.db2.gz MJISKQKULWWQIF-QZTJIDSGSA-N 2 1 289.467 2.439 20 0 CEADMP COCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423529129 281062989 /nfs/dbraw/zinc/06/29/89/281062989.db2.gz NYSSTIANNKDJJU-VNQPRFMTSA-N 2 1 262.397 2.147 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000423796005 281096470 /nfs/dbraw/zinc/09/64/70/281096470.db2.gz GTWYNDGAKRQOQJ-BZUAXINKSA-N 2 1 295.471 2.131 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CC(CC(=O)OC)C1 ZINC000424355501 281152475 /nfs/dbraw/zinc/15/24/75/281152475.db2.gz UCFKFAAEMTXFJE-HSBZDZAISA-N 2 1 270.417 2.038 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CC(CC(=O)OC)C1 ZINC000424355501 281152477 /nfs/dbraw/zinc/15/24/77/281152477.db2.gz UCFKFAAEMTXFJE-HSBZDZAISA-N 2 1 270.417 2.038 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)CC2(OC)CCC2)CC1 ZINC000429372189 281237489 /nfs/dbraw/zinc/23/74/89/281237489.db2.gz MFTRVGUGQHKKAQ-CYBMUJFWSA-N 2 1 254.418 2.408 20 0 CEADMP [NH3+]C[C@@H]1CCCC[N@@H+]1CCCOCCc1ccccc1 ZINC000430611399 281269073 /nfs/dbraw/zinc/26/90/73/281269073.db2.gz OFXHSIBEDKWRGB-KRWDZBQOSA-N 2 1 276.424 2.449 20 0 CEADMP [NH3+]C[C@@H]1CCCC[N@H+]1CCCOCCc1ccccc1 ZINC000430611399 281269080 /nfs/dbraw/zinc/26/90/80/281269080.db2.gz OFXHSIBEDKWRGB-KRWDZBQOSA-N 2 1 276.424 2.449 20 0 CEADMP CCc1cccc(OCC[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000430617462 281269907 /nfs/dbraw/zinc/26/99/07/281269907.db2.gz MXLLTFXHXDFGOO-OAHLLOKOSA-N 2 1 262.397 2.299 20 0 CEADMP CSc1ccc(OCC[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000430642845 281272747 /nfs/dbraw/zinc/27/27/47/281272747.db2.gz PKLCGZMLFLQALU-UHFFFAOYSA-N 2 1 280.437 2.471 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1nc2ccccc2n1C ZINC000430642937 281272859 /nfs/dbraw/zinc/27/28/59/281272859.db2.gz VZJSVQATAFZHHR-ZFWWWQNUSA-N 2 1 286.423 2.318 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1nc2ccccc2n1C ZINC000430642937 281272861 /nfs/dbraw/zinc/27/28/61/281272861.db2.gz VZJSVQATAFZHHR-ZFWWWQNUSA-N 2 1 286.423 2.318 20 0 CEADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000430706442 281274226 /nfs/dbraw/zinc/27/42/26/281274226.db2.gz UYELDNXXZHTIPZ-XUWVNRHRSA-N 2 1 293.455 2.027 20 0 CEADMP CC(C)[NH+](CCNC(=O)CC[C@H]1CCCC[N@H+]1C)C(C)C ZINC000431564955 281307874 /nfs/dbraw/zinc/30/78/74/281307874.db2.gz KIUGNWAZGYSCPY-MRXNPFEDSA-N 2 1 297.487 2.486 20 0 CEADMP C[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)C[NH+]1CCCC1 ZINC000431727885 281315120 /nfs/dbraw/zinc/31/51/20/281315120.db2.gz LWEDRMAWKBDQDO-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431787435 281320399 /nfs/dbraw/zinc/32/03/99/281320399.db2.gz HRCXTLFFBUSHFE-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CC[C@@H](C)[NH+](C)CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431787435 281320402 /nfs/dbraw/zinc/32/04/02/281320402.db2.gz HRCXTLFFBUSHFE-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CC[C@@H](C)[NH+](C)CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431787435 281320403 /nfs/dbraw/zinc/32/04/03/281320403.db2.gz HRCXTLFFBUSHFE-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[C@@H](C[NH3+])C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000433169185 281371241 /nfs/dbraw/zinc/37/12/41/281371241.db2.gz QBMQHHPQSKTOKJ-OWCLPIDISA-N 2 1 297.487 2.092 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)o1 ZINC000435379161 281386540 /nfs/dbraw/zinc/38/65/40/281386540.db2.gz LGGBSFSDEWBDAW-UBHSHLNASA-N 2 1 286.379 2.147 20 0 CEADMP COCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000152122070 289078202 /nfs/dbraw/zinc/07/82/02/289078202.db2.gz ZSPXKIDANISUMR-GFCCVEGCSA-N 2 1 259.353 2.478 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC000187863622 289153110 /nfs/dbraw/zinc/15/31/10/289153110.db2.gz QUCLUKMFXTWPSS-UHFFFAOYSA-N 2 1 269.477 2.286 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN(C)CC(F)(F)F ZINC000156377959 289194789 /nfs/dbraw/zinc/19/47/89/289194789.db2.gz QKAIMAQYLIKSFI-AGIUHOORSA-N 2 1 295.393 2.189 20 0 CEADMP C[N@@H+](CCO)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459329551 290118639 /nfs/dbraw/zinc/11/86/39/290118639.db2.gz ALNHQAFOZCJCSH-UHFFFAOYSA-N 2 1 290.398 2.200 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2C)[C@@H]1SC ZINC000459394254 290135996 /nfs/dbraw/zinc/13/59/96/290135996.db2.gz RSEBPQXBAKORNU-MCIONIFRSA-N 2 1 283.441 2.080 20 0 CEADMP CCn1nncc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459398031 290136929 /nfs/dbraw/zinc/13/69/29/290136929.db2.gz FESVIPOOEPMUHT-KBPBESRZSA-N 2 1 291.443 2.041 20 0 CEADMP CCn1nncc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459398031 290136930 /nfs/dbraw/zinc/13/69/30/290136930.db2.gz FESVIPOOEPMUHT-KBPBESRZSA-N 2 1 291.443 2.041 20 0 CEADMP C[C@@H]([NH2+]CCc1cncn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459411768 290140556 /nfs/dbraw/zinc/14/05/56/290140556.db2.gz UUKZEDXLCATCJC-CABCVRRESA-N 2 1 290.455 2.205 20 0 CEADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459423954 290144721 /nfs/dbraw/zinc/14/47/21/290144721.db2.gz PQITYPYDZMVPGS-LBPRGKRZSA-N 2 1 290.455 2.184 20 0 CEADMP Cc1ccccc1C[C@@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459513105 290168471 /nfs/dbraw/zinc/16/84/71/290168471.db2.gz QZWPMKVODJXGDK-KRWDZBQOSA-N 2 1 288.435 2.115 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC2(C1)CCCOC2 ZINC000459606858 290193276 /nfs/dbraw/zinc/19/32/76/290193276.db2.gz NYGPETMAOPSIFZ-UHFFFAOYSA-N 2 1 298.390 2.188 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+]CC2(C)COC2)[C@@H]1c1ccccc1 ZINC000375749028 290195893 /nfs/dbraw/zinc/19/58/93/290195893.db2.gz AZBXCPJBJLQBDL-CVEARBPZSA-N 2 1 274.408 2.306 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459675605 290208628 /nfs/dbraw/zinc/20/86/28/290208628.db2.gz NESPMOLCOFDFOR-HOTGVXAUSA-N 2 1 289.423 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459675605 290208630 /nfs/dbraw/zinc/20/86/30/290208630.db2.gz NESPMOLCOFDFOR-HOTGVXAUSA-N 2 1 289.423 2.473 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@@H]1C ZINC000459730598 290219567 /nfs/dbraw/zinc/21/95/67/290219567.db2.gz DXKRVSGIOVGGGU-UGUYLWEFSA-N 2 1 296.455 2.286 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2Cc3ccccc3C2)C1 ZINC000459741106 290223914 /nfs/dbraw/zinc/22/39/14/290223914.db2.gz VBKJOMMWXDJUTE-AWEZNQCLSA-N 2 1 258.409 2.475 20 0 CEADMP C[C@@H](C[N@@H+](C)CC[C@@H]1CCC[NH+]1C)C(=O)OC(C)(C)C ZINC000459788942 290240584 /nfs/dbraw/zinc/24/05/84/290240584.db2.gz DIYUFNLISOHGTR-KBPBESRZSA-N 2 1 284.444 2.380 20 0 CEADMP C[C@@H](C[NH+](C)CC[C@@H]1CCC[N@@H+]1C)C(=O)OC(C)(C)C ZINC000459788942 290240587 /nfs/dbraw/zinc/24/05/87/290240587.db2.gz DIYUFNLISOHGTR-KBPBESRZSA-N 2 1 284.444 2.380 20 0 CEADMP C[C@@H](C[NH+](C)CC[C@@H]1CCC[N@H+]1C)C(=O)OC(C)(C)C ZINC000459788942 290240591 /nfs/dbraw/zinc/24/05/91/290240591.db2.gz DIYUFNLISOHGTR-KBPBESRZSA-N 2 1 284.444 2.380 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000459796015 290243009 /nfs/dbraw/zinc/24/30/09/290243009.db2.gz VWRKCYSREFQMGH-ZDUSSCGKSA-N 2 1 288.395 2.491 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1nc2c(s1)CCC2 ZINC000471758172 290281531 /nfs/dbraw/zinc/28/15/31/290281531.db2.gz LNNBNHJGSKSGBW-JTQLQIEISA-N 2 1 276.409 2.259 20 0 CEADMP COCC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471849042 290288114 /nfs/dbraw/zinc/28/81/14/290288114.db2.gz RKASTGQZGVZKIB-SJORKVTESA-N 2 1 276.424 2.305 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C/C=C\c2ccncc2)CCCO1 ZINC000487173642 290335148 /nfs/dbraw/zinc/33/51/48/290335148.db2.gz OQMXGRIHBBTXBR-SVERHTFXSA-N 2 1 289.423 2.185 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H]1CC1(C)C ZINC000487272299 290339417 /nfs/dbraw/zinc/33/94/17/290339417.db2.gz LZBBRCHVNCVUAT-OLZOCXBDSA-N 2 1 254.418 2.121 20 0 CEADMP C[NH+](C)CCCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000487638513 290356777 /nfs/dbraw/zinc/35/67/77/290356777.db2.gz RDLFNAWIGCDNRN-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342689917 290386328 /nfs/dbraw/zinc/38/63/28/290386328.db2.gz FYFPYDZVTRQHCD-JYJNAYRXSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)C1CC([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000488436022 290399060 /nfs/dbraw/zinc/39/90/60/290399060.db2.gz BORKAAZOMJYEQI-UHFFFAOYSA-N 2 1 281.488 2.284 20 0 CEADMP C[C@H]1C[C@@H]1C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000488543045 290408305 /nfs/dbraw/zinc/40/83/05/290408305.db2.gz JGUSNFBGUAOINM-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H](C[NH2+]Cc1cc(-c2ccccc2)n[nH]1)C[NH+](C)C ZINC000491591548 290526555 /nfs/dbraw/zinc/52/65/55/290526555.db2.gz MFRUQRVPFGSLIN-ZDUSSCGKSA-N 2 1 272.396 2.364 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)CC[N@@H+]1C ZINC000336807444 297286323 /nfs/dbraw/zinc/28/63/23/297286323.db2.gz KAEVAFVUTTZPKX-QLFBSQMISA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)CC[N@H+]1C ZINC000336807444 297286325 /nfs/dbraw/zinc/28/63/25/297286325.db2.gz KAEVAFVUTTZPKX-QLFBSQMISA-N 2 1 266.429 2.408 20 0 CEADMP CCC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)OCC ZINC000527926543 297764012 /nfs/dbraw/zinc/76/40/12/297764012.db2.gz ALYNBGAAUOCKBR-HNNXBMFYSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(C)COc2ccccc2O1)c1c[nH+]ccc1N ZINC000530206551 298048645 /nfs/dbraw/zinc/04/86/45/298048645.db2.gz ALTQRTSLQWJGOH-SJCJKPOMSA-N 2 1 299.374 2.375 20 0 CEADMP COC(C)(C)C[NH+](C)CC(C)C[N@H+](C)CC(C)(C)OC ZINC000533345141 298162625 /nfs/dbraw/zinc/16/26/25/298162625.db2.gz LYWWPYDXCFHNGB-UHFFFAOYSA-N 2 1 288.476 2.336 20 0 CEADMP CC(C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000539498807 298248575 /nfs/dbraw/zinc/24/85/75/298248575.db2.gz ZHTNOQAFYDIINK-CYBMUJFWSA-N 2 1 267.442 2.035 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@H]3C)c2C1 ZINC000566563976 299003682 /nfs/dbraw/zinc/00/36/82/299003682.db2.gz OLSKHMOYNKGBQH-JSGCOSHPSA-N 2 1 287.407 2.349 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@H]3C)c2C1 ZINC000566563976 299003686 /nfs/dbraw/zinc/00/36/86/299003686.db2.gz OLSKHMOYNKGBQH-JSGCOSHPSA-N 2 1 287.407 2.349 20 0 CEADMP CCc1ccc([C@H](COC)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000566747312 299020805 /nfs/dbraw/zinc/02/08/05/299020805.db2.gz FIUFIXUDOFQBGJ-SCRDCRAPSA-N 2 1 266.385 2.389 20 0 CEADMP Cc1ccccc1C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000566805100 299024055 /nfs/dbraw/zinc/02/40/55/299024055.db2.gz NINSINUWVDXESW-UHFFFAOYSA-N 2 1 276.424 2.320 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000500039535 313032510 /nfs/dbraw/zinc/03/25/10/313032510.db2.gz NMKLXXYCOGEVLC-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP Cc1nc(CC[NH2+]Cc2c[nH+]ccc2N(C)C)c(C)o1 ZINC000545352906 313489525 /nfs/dbraw/zinc/48/95/25/313489525.db2.gz LFKYFBNIPSUFET-UHFFFAOYSA-N 2 1 274.368 2.085 20 0 CEADMP C[C@@H](C[NH2+]Cc1ccc2c(n1)CCC2)C[NH+]1CCCC1 ZINC000569669888 314006780 /nfs/dbraw/zinc/00/67/80/314006780.db2.gz HLZSIPNROICJSE-AWEZNQCLSA-N 2 1 273.424 2.392 20 0 CEADMP Cc1cnc2cc(C(=O)NCCC[N@H+](C)C(C)C)ccn12 ZINC000571176154 314077390 /nfs/dbraw/zinc/07/73/90/314077390.db2.gz PMFFRCHHQNIKMS-UHFFFAOYSA-N 2 1 288.395 2.103 20 0 CEADMP CCc1noc(CC)c1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000571908328 314110561 /nfs/dbraw/zinc/11/05/61/314110561.db2.gz XPPXVBYEFLAPTE-FZMZJTMJSA-N 2 1 265.401 2.277 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2cncn2C)[C@H](C)C1 ZINC000573574090 314169861 /nfs/dbraw/zinc/16/98/61/314169861.db2.gz JRPATJQGLJNHTE-GDBMZVCRSA-N 2 1 278.444 2.015 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2cncn2C)[C@H](C)C1 ZINC000573574090 314169863 /nfs/dbraw/zinc/16/98/63/314169863.db2.gz JRPATJQGLJNHTE-GDBMZVCRSA-N 2 1 278.444 2.015 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2cncn2C)[C@H](C)C1 ZINC000573574090 314169865 /nfs/dbraw/zinc/16/98/65/314169865.db2.gz JRPATJQGLJNHTE-GDBMZVCRSA-N 2 1 278.444 2.015 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000575999484 314232081 /nfs/dbraw/zinc/23/20/81/314232081.db2.gz HMCPRXJHHBJACI-UHFFFAOYSA-N 3 1 292.471 2.407 20 0 CEADMP CCCOc1ccc(C[N@@H+](C)CCC[NH3+])cc1OC ZINC000576227491 314255015 /nfs/dbraw/zinc/25/50/15/314255015.db2.gz XYJMEICFHDRTMF-UHFFFAOYSA-N 2 1 266.385 2.265 20 0 CEADMP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(CC[NH3+])CC1 ZINC000576589947 314291061 /nfs/dbraw/zinc/29/10/61/314291061.db2.gz KCXGWOVEBMKZIU-JTQLQIEISA-N 2 1 264.373 2.069 20 0 CEADMP C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000577295481 314362019 /nfs/dbraw/zinc/36/20/19/314362019.db2.gz WWECWPDGSDNCSN-CAOSSQGBSA-N 2 1 279.472 2.499 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000577295481 314362020 /nfs/dbraw/zinc/36/20/20/314362020.db2.gz WWECWPDGSDNCSN-CAOSSQGBSA-N 3 1 279.472 2.499 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000577295481 314362023 /nfs/dbraw/zinc/36/20/23/314362023.db2.gz WWECWPDGSDNCSN-CAOSSQGBSA-N 3 1 279.472 2.499 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000577507616 314385640 /nfs/dbraw/zinc/38/56/40/314385640.db2.gz LUDHEQZLKLYRCG-ZDUSSCGKSA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000577507616 314385642 /nfs/dbraw/zinc/38/56/42/314385642.db2.gz LUDHEQZLKLYRCG-ZDUSSCGKSA-N 2 1 263.385 2.225 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2)c2ccccc21 ZINC000584345179 328591993 /nfs/dbraw/zinc/59/19/93/328591993.db2.gz NOUNCUKLHOTWPM-VHSSKADRSA-N 2 1 298.386 2.161 20 0 CEADMP Oc1cccnc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000558400725 327090444 /nfs/dbraw/zinc/09/04/44/327090444.db2.gz YNNWMQUEKUOJNG-AWEZNQCLSA-N 2 1 275.396 2.238 20 0 CEADMP Oc1cccnc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000558400725 327090446 /nfs/dbraw/zinc/09/04/46/327090446.db2.gz YNNWMQUEKUOJNG-AWEZNQCLSA-N 2 1 275.396 2.238 20 0 CEADMP CC1=CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000560478516 327312948 /nfs/dbraw/zinc/31/29/48/327312948.db2.gz TVYQCJINOVUDHB-CVEARBPZSA-N 2 1 266.429 2.312 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000396424628 329320398 /nfs/dbraw/zinc/32/03/98/329320398.db2.gz QZWFSAKRAISVKQ-UHFFFAOYSA-N 2 1 292.345 2.074 20 0 CEADMP CSc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccn1 ZINC000357845945 534168677 /nfs/dbraw/zinc/16/86/77/534168677.db2.gz CAWGQCDBQJBRRO-AAEUAGOBSA-N 2 1 265.426 2.376 20 0 CEADMP CSc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccn1 ZINC000357845945 534168686 /nfs/dbraw/zinc/16/86/86/534168686.db2.gz CAWGQCDBQJBRRO-AAEUAGOBSA-N 2 1 265.426 2.376 20 0 CEADMP CC(C)OCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000370578426 519764532 /nfs/dbraw/zinc/76/45/32/519764532.db2.gz XXDADWNUXPATGV-BRWVUGGUSA-N 2 1 298.471 2.281 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1Cn1nc(C)nc1C ZINC000365188329 520608726 /nfs/dbraw/zinc/60/87/26/520608726.db2.gz BQJWTLFFZFGADV-INIZCTEOSA-N 2 1 293.459 2.091 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1Cn1nc(C)nc1C ZINC000365188329 520608729 /nfs/dbraw/zinc/60/87/29/520608729.db2.gz BQJWTLFFZFGADV-INIZCTEOSA-N 2 1 293.459 2.091 20 0 CEADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1O ZINC000157648770 520730749 /nfs/dbraw/zinc/73/07/49/520730749.db2.gz JVNRLGKKNCKHJB-OCCSQVGLSA-N 2 1 278.396 2.363 20 0 CEADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1O ZINC000157648770 520730755 /nfs/dbraw/zinc/73/07/55/520730755.db2.gz JVNRLGKKNCKHJB-OCCSQVGLSA-N 2 1 278.396 2.363 20 0 CEADMP CCN1CCC([N@@H+](C)CCCC2CC[NH2+]CC2)CC1 ZINC000050953783 521562588 /nfs/dbraw/zinc/56/25/88/521562588.db2.gz KTVQZHUWDXWBCE-UHFFFAOYSA-N 2 1 267.461 2.182 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCCC2CC[NH2+]CC2)CC1 ZINC000050953783 521562591 /nfs/dbraw/zinc/56/25/91/521562591.db2.gz KTVQZHUWDXWBCE-UHFFFAOYSA-N 3 1 267.461 2.182 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCCC2CC[NH2+]CC2)CC1 ZINC000050953783 521562599 /nfs/dbraw/zinc/56/25/99/521562599.db2.gz KTVQZHUWDXWBCE-UHFFFAOYSA-N 3 1 267.461 2.182 20 0 CEADMP COc1cc(C[NH2+][C@H](C)CC[NH+](C)C)cc(OC)c1OC ZINC000049551691 522485299 /nfs/dbraw/zinc/48/52/99/522485299.db2.gz MJSHTHMBKIIHBG-GFCCVEGCSA-N 2 1 296.411 2.142 20 0 CEADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1nccn1C ZINC000183020683 522581179 /nfs/dbraw/zinc/58/11/79/522581179.db2.gz BUNYLYBBOWGRCH-AWEZNQCLSA-N 2 1 275.400 2.446 20 0 CEADMP CO[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000161595870 523972514 /nfs/dbraw/zinc/97/25/14/523972514.db2.gz HQLZBOCQQAYXJH-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP CO[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000161595870 523972518 /nfs/dbraw/zinc/97/25/18/523972518.db2.gz HQLZBOCQQAYXJH-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000049553190 524167670 /nfs/dbraw/zinc/16/76/70/524167670.db2.gz LPSKIXBBDJOKLI-VXGBXAGGSA-N 2 1 264.369 2.406 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000156173579 524557795 /nfs/dbraw/zinc/55/77/95/524557795.db2.gz QMSRZBFUIDDXRV-KBPBESRZSA-N 2 1 286.423 2.425 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[Si](C)(C)C ZINC000363705567 524971829 /nfs/dbraw/zinc/97/18/29/524971829.db2.gz JSJAQWSRHXNAFZ-QLFBSQMISA-N 2 1 284.520 2.343 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[Si](C)(C)C ZINC000363705567 524971836 /nfs/dbraw/zinc/97/18/36/524971836.db2.gz JSJAQWSRHXNAFZ-QLFBSQMISA-N 2 1 284.520 2.343 20 0 CEADMP C[C@@H]1C[C@@H](NCC[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000157406410 525265298 /nfs/dbraw/zinc/26/52/98/525265298.db2.gz VWZKZXINANFUKL-CABCVRRESA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1C[C@@H](NCC[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000157406410 525265287 /nfs/dbraw/zinc/26/52/87/525265287.db2.gz VWZKZXINANFUKL-CABCVRRESA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1C[C@@H](NCC[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000157406410 525265293 /nfs/dbraw/zinc/26/52/93/525265293.db2.gz VWZKZXINANFUKL-CABCVRRESA-N 2 1 267.461 2.323 20 0 CEADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cnn1C ZINC000156014190 525924573 /nfs/dbraw/zinc/92/45/73/525924573.db2.gz QTPFEYDUCKMTFI-FPMFFAJLSA-N 2 1 262.401 2.006 20 0 CEADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cnn1C ZINC000156014190 525924578 /nfs/dbraw/zinc/92/45/78/525924578.db2.gz QTPFEYDUCKMTFI-FPMFFAJLSA-N 2 1 262.401 2.006 20 0 CEADMP Cc1cc(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc[nH+]1 ZINC000364902702 526115261 /nfs/dbraw/zinc/11/52/61/526115261.db2.gz BFDKHFWYUAIETJ-RRQGHBQHSA-N 2 1 289.423 2.113 20 0 CEADMP Cc1noc(C)c1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000155996129 526497611 /nfs/dbraw/zinc/49/76/11/526497611.db2.gz VZAGYQQXLCDOQQ-FIXISWKDSA-N 2 1 265.401 2.152 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364786287 527411589 /nfs/dbraw/zinc/41/15/89/527411589.db2.gz AWFWSFFUBCCFND-MRXNPFEDSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364786287 527411595 /nfs/dbraw/zinc/41/15/95/527411595.db2.gz AWFWSFFUBCCFND-MRXNPFEDSA-N 2 1 277.412 2.473 20 0 CEADMP O[C@@H](C[NH2+][C@@H]1CCCc2sccc21)C[NH+]1CCCC1 ZINC000061362270 527654801 /nfs/dbraw/zinc/65/48/01/527654801.db2.gz UEHIGXFKZHUPLB-GXTWGEPZSA-N 2 1 280.437 2.172 20 0 CEADMP CCC[N@@H+](C)CC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000361203675 527822808 /nfs/dbraw/zinc/82/28/08/527822808.db2.gz DBFSXTWBTCRTGS-UHFFFAOYSA-N 2 1 277.412 2.337 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000418208001 527983445 /nfs/dbraw/zinc/98/34/45/527983445.db2.gz VIIBERGIRJJYEP-QLFBSQMISA-N 2 1 298.475 2.018 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000418208011 527994376 /nfs/dbraw/zinc/99/43/76/527994376.db2.gz VIIBERGIRJJYEP-SOUVJXGZSA-N 2 1 298.475 2.018 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2cncs2)C1 ZINC000411300303 528184499 /nfs/dbraw/zinc/18/44/99/528184499.db2.gz PXVGMBCQGHFRRF-CYBMUJFWSA-N 2 1 267.442 2.349 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2cncs2)C1 ZINC000411300303 528184503 /nfs/dbraw/zinc/18/45/03/528184503.db2.gz PXVGMBCQGHFRRF-CYBMUJFWSA-N 2 1 267.442 2.349 20 0 CEADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000414920848 528195491 /nfs/dbraw/zinc/19/54/91/528195491.db2.gz AFCLWOSHJBVQPG-CHWSQXEVSA-N 2 1 277.412 2.464 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000357120177 528815984 /nfs/dbraw/zinc/81/59/84/528815984.db2.gz UWXSXMRSVIQMAY-KFWWJZLASA-N 2 1 283.460 2.094 20 0 CEADMP CCc1cccc(F)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357056208 529173198 /nfs/dbraw/zinc/17/31/98/529173198.db2.gz SDGBIXOAQAJOIG-KGLIPLIRSA-N 2 1 262.372 2.429 20 0 CEADMP CCc1cccc(F)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357056208 529173201 /nfs/dbraw/zinc/17/32/01/529173201.db2.gz SDGBIXOAQAJOIG-KGLIPLIRSA-N 2 1 262.372 2.429 20 0 CEADMP C[C@H](O)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000309756818 538740169 /nfs/dbraw/zinc/74/01/69/538740169.db2.gz XRRCVSKBQCHHST-RDJZCZTQSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@H](O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309756818 538740179 /nfs/dbraw/zinc/74/01/79/538740179.db2.gz XRRCVSKBQCHHST-RDJZCZTQSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@H](O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309756818 538740187 /nfs/dbraw/zinc/74/01/87/538740187.db2.gz XRRCVSKBQCHHST-RDJZCZTQSA-N 2 1 276.424 2.211 20 0 CEADMP c1nc2n(c1CN1CCC(OC3CCC3)CC1)CCC2 ZINC000668241815 538777706 /nfs/dbraw/zinc/77/77/06/538777706.db2.gz OWCRAZAIYHABCY-UHFFFAOYSA-N 2 1 275.396 2.363 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[C@H]2C2CC2)CCCO1 ZINC000348301630 538859139 /nfs/dbraw/zinc/85/91/39/538859139.db2.gz LQJFMKVSNXCWJY-VNQPRFMTSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[C@H]2C2CC2)CCCO1 ZINC000348301630 538859147 /nfs/dbraw/zinc/85/91/47/538859147.db2.gz LQJFMKVSNXCWJY-VNQPRFMTSA-N 2 1 266.429 2.266 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCc1cccs1 ZINC000749535758 574444328 /nfs/dbraw/zinc/44/43/28/574444328.db2.gz UAGIIHCLAROAJC-VNQPRFMTSA-N 2 1 294.464 2.474 20 0 CEADMP O[C@@H](C[N@H+](CC1CC1)C1CCCCC1)C[NH+]1CCCC1 ZINC000727932195 574458876 /nfs/dbraw/zinc/45/88/76/574458876.db2.gz YTTJPMIZBXCNPT-QGZVFWFLSA-N 2 1 280.456 2.488 20 0 CEADMP O[C@@H](C[N@@H+](CC1CC1)C1CCCCC1)C[NH+]1CCCC1 ZINC000727932195 574458877 /nfs/dbraw/zinc/45/88/77/574458877.db2.gz YTTJPMIZBXCNPT-QGZVFWFLSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@H+]1CCN(CC[NH+]2CCCC2)C2(CCCCC2)C1 ZINC000760841847 574518095 /nfs/dbraw/zinc/51/80/95/574518095.db2.gz AAARAHYTZQKZAM-UHFFFAOYSA-N 2 1 265.445 2.033 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000732269207 574616375 /nfs/dbraw/zinc/61/63/75/574616375.db2.gz QXFOMEBPMMPTKM-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC000742915477 575037392 /nfs/dbraw/zinc/03/73/92/575037392.db2.gz LVCVDPOFGPIYJA-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCCCCC1 ZINC000748982685 575202288 /nfs/dbraw/zinc/20/22/88/575202288.db2.gz NSSRQBPRYCSSTL-MRXNPFEDSA-N 2 1 268.445 2.488 20 0 CEADMP Cc1cc(NCC[N@H+](C)Cc2ccc(F)cc2)nc(N)[nH+]1 ZINC000749102485 575205378 /nfs/dbraw/zinc/20/53/78/575205378.db2.gz PMWBAAKDEQLBSU-UHFFFAOYSA-N 2 1 289.358 2.050 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCCCCC1 ZINC000748982685 575202287 /nfs/dbraw/zinc/20/22/87/575202287.db2.gz NSSRQBPRYCSSTL-MRXNPFEDSA-N 2 1 268.445 2.488 20 0 CEADMP Cc1nonc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000752068694 575304765 /nfs/dbraw/zinc/30/47/65/575304765.db2.gz PFZNIBUMHWGKOC-UHFFFAOYSA-N 2 1 292.427 2.466 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CCC4(CCC4)O3)C2)C1 ZINC000878646022 651150524 /nfs/dbraw/zinc/15/05/24/651150524.db2.gz TVVCNIMJDGUJSL-HUUCEWRRSA-N 2 1 264.413 2.116 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CCC4(CCC4)O3)C2)C1 ZINC000878646022 651150527 /nfs/dbraw/zinc/15/05/27/651150527.db2.gz TVVCNIMJDGUJSL-HUUCEWRRSA-N 2 1 264.413 2.116 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCC4(CCC4)O3)C2)C1 ZINC000878646022 651150522 /nfs/dbraw/zinc/15/05/22/651150522.db2.gz TVVCNIMJDGUJSL-HUUCEWRRSA-N 2 1 264.413 2.116 20 0 CEADMP CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000951214279 614594770 /nfs/dbraw/zinc/59/47/70/614594770.db2.gz HRILBADHFLPYSZ-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000951214279 614594772 /nfs/dbraw/zinc/59/47/72/614594772.db2.gz HRILBADHFLPYSZ-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1C[NH+](CC(C)C)C1 ZINC000950049231 614618951 /nfs/dbraw/zinc/61/89/51/614618951.db2.gz RSHJNQUMXWCMHL-INIZCTEOSA-N 2 1 295.471 2.048 20 0 CEADMP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1C[NH+](CC(C)C)C1 ZINC000950049231 614618953 /nfs/dbraw/zinc/61/89/53/614618953.db2.gz RSHJNQUMXWCMHL-INIZCTEOSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775634 614654900 /nfs/dbraw/zinc/65/49/00/614654900.db2.gz NNLASNLTXRFHFQ-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000948775634 614654903 /nfs/dbraw/zinc/65/49/03/614654903.db2.gz NNLASNLTXRFHFQ-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000948775634 614654905 /nfs/dbraw/zinc/65/49/05/614654905.db2.gz NNLASNLTXRFHFQ-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947614933 614707877 /nfs/dbraw/zinc/70/78/77/614707877.db2.gz BMQXRMVSNDTAEN-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941214990 615011364 /nfs/dbraw/zinc/01/13/64/615011364.db2.gz IUIWYBZEAQBHTI-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+](CC1CCN(C(=O)C[NH+]2CCCC2)CC1)C(C)C ZINC000957776856 615016665 /nfs/dbraw/zinc/01/66/65/615016665.db2.gz XRMVJWUCOJGNIP-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947684538 615025447 /nfs/dbraw/zinc/02/54/47/615025447.db2.gz IRLMCFFAVXNDRO-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947684540 615025523 /nfs/dbraw/zinc/02/55/23/615025523.db2.gz IRLMCFFAVXNDRO-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccc(NC[C@H]2CCC[N@H+](C)C2)c1Br ZINC000892422132 625345322 /nfs/dbraw/zinc/34/53/22/625345322.db2.gz WCZAFCXDAFMPRZ-LLVKDONJSA-N 2 1 298.228 2.328 20 0 CEADMP C[C@@H]1CC[NH+](CCCCC[N@H+]2CCO[C@@H](C)CC2)CCO1 ZINC000932339895 622627930 /nfs/dbraw/zinc/62/79/30/622627930.db2.gz DVECYXLUDOOZLC-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP C[C@@H]1CC[N@H+](CCCCC[NH+]2CCO[C@@H](C)CC2)CCO1 ZINC000932339895 622627933 /nfs/dbraw/zinc/62/79/33/622627933.db2.gz DVECYXLUDOOZLC-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP C[C@@H]1CC[N@@H+](CCCCC[NH+]2CCO[C@@H](C)CC2)CCO1 ZINC000932339895 622627939 /nfs/dbraw/zinc/62/79/39/622627939.db2.gz DVECYXLUDOOZLC-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CCC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000310560387 625597215 /nfs/dbraw/zinc/59/72/15/625597215.db2.gz JPLVZVFOWDTELW-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP CCC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000310560387 625597225 /nfs/dbraw/zinc/59/72/25/625597225.db2.gz JPLVZVFOWDTELW-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP CC(C)NC(=[NH2+])NCCC[N@@H+](C)Cc1ccccc1 ZINC000052041133 625638855 /nfs/dbraw/zinc/63/88/55/625638855.db2.gz CHZYHXFWESDFKN-UHFFFAOYSA-N 2 1 262.401 2.031 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000050245233 623372861 /nfs/dbraw/zinc/37/28/61/623372861.db2.gz XCJXUFXEQVJBKC-LLVKDONJSA-N 2 1 256.296 2.069 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCCS1 ZINC000926130513 623459031 /nfs/dbraw/zinc/45/90/31/623459031.db2.gz NWSJWVMSBXYHJK-RBKKPWLPSA-N 2 1 254.443 2.202 20 0 CEADMP CC/C=C(\C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000725717027 623474535 /nfs/dbraw/zinc/47/45/35/623474535.db2.gz DMCZWPOBXGBZRA-LRQZKABGSA-N 2 1 295.471 2.217 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308362897 623673867 /nfs/dbraw/zinc/67/38/67/623673867.db2.gz IDERPVXDOATZLA-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308362897 623673869 /nfs/dbraw/zinc/67/38/69/623673869.db2.gz IDERPVXDOATZLA-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@@H+](CCNC(=O)N(C)C1(C[NH3+])CCCCC1)C(C)C ZINC000891484268 623737110 /nfs/dbraw/zinc/73/71/10/623737110.db2.gz FTOVRYBIHKPTNW-UHFFFAOYSA-N 2 1 298.475 2.020 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](C)C1 ZINC000933439448 623744433 /nfs/dbraw/zinc/74/44/33/623744433.db2.gz PVVYIEPEGPCPFZ-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](C)C1 ZINC000933439449 623745202 /nfs/dbraw/zinc/74/52/02/623745202.db2.gz PVVYIEPEGPCPFZ-JYJNAYRXSA-N 2 1 295.471 2.048 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](C2CCC2)C2CCCC2)C1 ZINC000926173444 623745252 /nfs/dbraw/zinc/74/52/52/623745252.db2.gz KRLMJRWSOFUHHX-HZPDHXFCSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](C2CCC2)C2CCCC2)C1 ZINC000926173444 623745256 /nfs/dbraw/zinc/74/52/56/623745256.db2.gz KRLMJRWSOFUHHX-HZPDHXFCSA-N 2 1 266.429 2.002 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(O)c(F)c1 ZINC000083399565 623856868 /nfs/dbraw/zinc/85/68/68/623856868.db2.gz YDDQOVDGHOKRKP-UHFFFAOYSA-N 2 1 254.349 2.353 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNc1cc[nH+]cc1CO ZINC000891847655 624019097 /nfs/dbraw/zinc/01/90/97/624019097.db2.gz ZSALHFNKSVEBFE-CQSZACIVSA-N 2 1 277.412 2.062 20 0 CEADMP Cc1cc(F)ncc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000891934115 624113191 /nfs/dbraw/zinc/11/31/91/624113191.db2.gz QQRKMFMONKEIDT-UHFFFAOYSA-N 2 1 265.376 2.303 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000104181868 624320725 /nfs/dbraw/zinc/32/07/25/624320725.db2.gz ZHCCHQDOOYWSKC-HNNXBMFYSA-N 2 1 253.434 2.066 20 0 CEADMP [NH3+]CCCCCCCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000104181868 624320726 /nfs/dbraw/zinc/32/07/26/624320726.db2.gz ZHCCHQDOOYWSKC-HNNXBMFYSA-N 2 1 253.434 2.066 20 0 CEADMP Oc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1F ZINC000153394283 625713497 /nfs/dbraw/zinc/71/34/97/625713497.db2.gz DHZKOCSQNGFNCR-UHFFFAOYSA-N 2 1 278.371 2.495 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000111273139 624512846 /nfs/dbraw/zinc/51/28/46/624512846.db2.gz CLWBSLPMVMKBBP-KGLIPLIRSA-N 2 1 293.842 2.318 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CC2CCC3(CC2)OCCO3)CC[N@@H+]1C ZINC000190204432 624549046 /nfs/dbraw/zinc/54/90/46/624549046.db2.gz ODPRDTCKMXDXBC-HOCLYGCPSA-N 2 1 296.455 2.334 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CC2CCC3(CC2)OCCO3)CC[N@H+]1C ZINC000190204432 624549051 /nfs/dbraw/zinc/54/90/51/624549051.db2.gz ODPRDTCKMXDXBC-HOCLYGCPSA-N 2 1 296.455 2.334 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CC2CCC3(CC2)OCCO3)CC[NH+]1C ZINC000190204432 624549055 /nfs/dbraw/zinc/54/90/55/624549055.db2.gz ODPRDTCKMXDXBC-HOCLYGCPSA-N 2 1 296.455 2.334 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CCC3(CC2)OCCO3)CC[NH+]1C ZINC000190204432 624549060 /nfs/dbraw/zinc/54/90/60/624549060.db2.gz ODPRDTCKMXDXBC-HOCLYGCPSA-N 2 1 296.455 2.334 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000161405240 624682237 /nfs/dbraw/zinc/68/22/37/624682237.db2.gz ZDOAZCUWHKRVMM-UHFFFAOYSA-N 2 1 283.460 2.227 20 0 CEADMP CC(C)[C@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000926544074 625021211 /nfs/dbraw/zinc/02/12/11/625021211.db2.gz ZHJVAUGEOUPZDM-WFDRTZIDSA-N 2 1 266.429 2.262 20 0 CEADMP NC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000820806763 634534045 /nfs/dbraw/zinc/53/40/45/634534045.db2.gz QKRGFQWNIBYCQS-ZXFUBFMLSA-N 2 1 299.418 2.033 20 0 CEADMP NC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000820806763 634534053 /nfs/dbraw/zinc/53/40/53/634534053.db2.gz QKRGFQWNIBYCQS-ZXFUBFMLSA-N 2 1 299.418 2.033 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2CCCO)C1 ZINC000820810487 634536100 /nfs/dbraw/zinc/53/61/00/634536100.db2.gz XSOIMNAMRCUPRR-PMPSAXMXSA-N 2 1 268.445 2.249 20 0 CEADMP O[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820842929 634548127 /nfs/dbraw/zinc/54/81/27/634548127.db2.gz ZEFWASJLNOICBU-IXCHPVQKSA-N 2 1 264.413 2.037 20 0 CEADMP CCn1cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c(C)n1 ZINC000892632128 627330585 /nfs/dbraw/zinc/33/05/85/627330585.db2.gz KCNLLLAMBIRSIH-AWEZNQCLSA-N 2 1 278.444 2.423 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CC1CC[NH+](C)CC1 ZINC000892668234 627376445 /nfs/dbraw/zinc/37/64/45/627376445.db2.gz DLSUGEXDAXFKHC-LSDHHAIUSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CC1CC[NH+](C)CC1 ZINC000892668234 627376447 /nfs/dbraw/zinc/37/64/47/627376447.db2.gz DLSUGEXDAXFKHC-LSDHHAIUSA-N 3 1 267.461 2.038 20 0 CEADMP CC[C@@H]1COC[C@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000924601487 627728807 /nfs/dbraw/zinc/72/88/07/627728807.db2.gz GDPPVCHIRCJFBB-CRAIPNDOSA-N 2 1 288.435 2.449 20 0 CEADMP CC[C@@H]1COC[C@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000924601487 627728812 /nfs/dbraw/zinc/72/88/12/627728812.db2.gz GDPPVCHIRCJFBB-CRAIPNDOSA-N 2 1 288.435 2.449 20 0 CEADMP CC[C@@H](O)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309800951 627877004 /nfs/dbraw/zinc/87/70/04/627877004.db2.gz JXKLIUPTZOJYRW-IAGOWNOFSA-N 2 1 276.424 2.259 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H](O)c2ccccc2)CC[N@H+]1C ZINC000311992385 627968181 /nfs/dbraw/zinc/96/81/81/627968181.db2.gz NUKVPOBNQBJARV-FVQBIDKESA-N 2 1 262.397 2.182 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384512 634627833 /nfs/dbraw/zinc/62/78/33/634627833.db2.gz LRPWEPGZFSKOBX-GJZGRUSLSA-N 2 1 269.477 2.475 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387260 634630255 /nfs/dbraw/zinc/63/02/55/634630255.db2.gz ITHUEUYMARMJCY-ZIAGYGMSSA-N 2 1 255.450 2.083 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000893201406 628122556 /nfs/dbraw/zinc/12/25/56/628122556.db2.gz UXOPALQUUQBWPT-KRWDZBQOSA-N 3 1 281.488 2.286 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2NCCc3ccccc32)C1 ZINC000902393610 634633265 /nfs/dbraw/zinc/63/32/65/634633265.db2.gz RCLZFHHJPJDXRN-DOTOQJQBSA-N 2 1 287.451 2.241 20 0 CEADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccccc1)[C@H](C)N ZINC000925539663 628161394 /nfs/dbraw/zinc/16/13/94/628161394.db2.gz CKLJPOZMMZRFRT-UAGQMJEPSA-N 2 1 293.455 2.021 20 0 CEADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925553209 628207320 /nfs/dbraw/zinc/20/73/20/628207320.db2.gz OPLIVJBRIARKRU-NUEKZKHPSA-N 2 1 276.424 2.271 20 0 CEADMP C[C@@H]([NH3+])[C@H]([NH2+]CCCc1cnn(C)c1)c1ccccc1 ZINC000925577738 628253855 /nfs/dbraw/zinc/25/38/55/628253855.db2.gz QHTCVWBKTJFKLD-CJNGLKHVSA-N 2 1 272.396 2.031 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925607579 628287189 /nfs/dbraw/zinc/28/71/89/628287189.db2.gz WAIIRHMJDSLMNI-HZPDHXFCSA-N 2 1 289.423 2.348 20 0 CEADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925613448 628296725 /nfs/dbraw/zinc/29/67/25/628296725.db2.gz DDGILQISRUZPMT-PPWXVPFTSA-N 2 1 292.448 2.146 20 0 CEADMP C[C@@H]([NH3+])[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccccc1 ZINC000925616618 628303284 /nfs/dbraw/zinc/30/32/84/628303284.db2.gz SJYJKWOKYHVPDU-RRCSTGOVSA-N 2 1 262.397 2.216 20 0 CEADMP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[NH2+][C@H]3C)c21 ZINC000925628487 628323507 /nfs/dbraw/zinc/32/35/07/628323507.db2.gz HOENMMRFRGTNLL-GXTWGEPZSA-N 2 1 287.407 2.449 20 0 CEADMP CN(C)C1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCC1 ZINC000925643647 628341481 /nfs/dbraw/zinc/34/14/81/628341481.db2.gz GQOCESSLYICMOQ-JKSUJKDBSA-N 2 1 279.472 2.229 20 0 CEADMP CC(C)C[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001026561089 628358514 /nfs/dbraw/zinc/35/85/14/628358514.db2.gz OAMILWBPHXYOTD-QQFBHYJXSA-N 2 1 295.471 2.001 20 0 CEADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCON)CC1 ZINC000902422138 634646603 /nfs/dbraw/zinc/64/66/03/634646603.db2.gz DHCVYSCRZWOMNH-UHFFFAOYSA-N 2 1 291.439 2.300 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925684254 628489193 /nfs/dbraw/zinc/48/91/93/628489193.db2.gz FYBIVLOXZCSSFV-UONOGXRCSA-N 2 1 267.461 2.356 20 0 CEADMP CC1(C)CCCN1CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925684254 628489194 /nfs/dbraw/zinc/48/91/94/628489194.db2.gz FYBIVLOXZCSSFV-UONOGXRCSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@H]([NH3+])[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000925688609 628497946 /nfs/dbraw/zinc/49/79/46/628497946.db2.gz FHDBVAXLYNOOSD-NKBFTAMNSA-N 2 1 273.424 2.290 20 0 CEADMP C[NH+]1C[C@@]2(C)C[NH+](CCOCc3ccccc3)C[C@]2(C)C1 ZINC000931319308 628520359 /nfs/dbraw/zinc/52/03/59/628520359.db2.gz YBMYZYXOJLVPFR-ROUUACIJSA-N 2 1 288.435 2.477 20 0 CEADMP COC[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1cccc(OC)c1 ZINC000925712136 628562591 /nfs/dbraw/zinc/56/25/91/628562591.db2.gz PKTNQIIJSKLDTH-JYJNAYRXSA-N 2 1 290.407 2.242 20 0 CEADMP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473443 634665235 /nfs/dbraw/zinc/66/52/35/634665235.db2.gz YSTOVIREYDHDOZ-REBRKWNGSA-N 2 1 260.381 2.109 20 0 CEADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000925715593 628575940 /nfs/dbraw/zinc/57/59/40/628575940.db2.gz FFGBGNNWUQAOLI-HYLCPLCXSA-N 3 1 291.483 2.214 20 0 CEADMP C[C@H](c1ccc(F)nc1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931441748 628582230 /nfs/dbraw/zinc/58/22/30/628582230.db2.gz OLQZYUPTCSUCRX-KWCYVHTRSA-N 2 1 263.360 2.165 20 0 CEADMP C[C@H](c1ccc(F)nc1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931441748 628582231 /nfs/dbraw/zinc/58/22/31/628582231.db2.gz OLQZYUPTCSUCRX-KWCYVHTRSA-N 2 1 263.360 2.165 20 0 CEADMP C[C@H](c1ccc(F)nc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931441748 628582234 /nfs/dbraw/zinc/58/22/34/628582234.db2.gz OLQZYUPTCSUCRX-KWCYVHTRSA-N 2 1 263.360 2.165 20 0 CEADMP C[C@H](c1ccc(F)nc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931441748 628582236 /nfs/dbraw/zinc/58/22/36/628582236.db2.gz OLQZYUPTCSUCRX-KWCYVHTRSA-N 2 1 263.360 2.165 20 0 CEADMP C[C@H](c1ccc(F)nc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931441748 628582237 /nfs/dbraw/zinc/58/22/37/628582237.db2.gz OLQZYUPTCSUCRX-KWCYVHTRSA-N 2 1 263.360 2.165 20 0 CEADMP C[C@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000902477943 634668256 /nfs/dbraw/zinc/66/82/56/634668256.db2.gz VUSLJQBVKHXGCO-SRVCANOKSA-N 2 1 285.435 2.132 20 0 CEADMP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000893439741 628611547 /nfs/dbraw/zinc/61/15/47/628611547.db2.gz ITKYIAKKHKUKMF-HNNXBMFYSA-N 2 1 296.455 2.239 20 0 CEADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000925726576 628641814 /nfs/dbraw/zinc/64/18/14/628641814.db2.gz UELRIWYQUULRDL-GVDBMIGSSA-N 3 1 289.467 2.442 20 0 CEADMP CCC1([NH3+])CC[NH+]([C@@H](C)c2cnc(C)nc2C)CC1 ZINC000925756877 628731959 /nfs/dbraw/zinc/73/19/59/628731959.db2.gz OUPGGCXCDMPJOV-LBPRGKRZSA-N 2 1 262.401 2.358 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(O)c1 ZINC000925786095 628825230 /nfs/dbraw/zinc/82/52/30/628825230.db2.gz VSPFPKHCTFQTAZ-PWSUYJOCSA-N 2 1 270.323 2.288 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000925788218 628828606 /nfs/dbraw/zinc/82/86/06/628828606.db2.gz ZDHJJYMVMHPQGV-CYGHRXIMSA-N 2 1 287.451 2.095 20 0 CEADMP C[N@H+](CC[NH2+][C@@H]1CCOC2(CCOCC2)C1)C1CCCC1 ZINC000094372758 628835005 /nfs/dbraw/zinc/83/50/05/628835005.db2.gz QILPFYFZUWKXFW-OAHLLOKOSA-N 2 1 296.455 2.179 20 0 CEADMP C[N@@H+](CC[NH2+][C@@H]1CCOC2(CCOCC2)C1)C1CCCC1 ZINC000094372758 628835009 /nfs/dbraw/zinc/83/50/09/628835009.db2.gz QILPFYFZUWKXFW-OAHLLOKOSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000902491440 634689023 /nfs/dbraw/zinc/68/90/23/634689023.db2.gz XVKISGZRKDNCMC-VDHUWJSZSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000902491440 634689026 /nfs/dbraw/zinc/68/90/26/634689026.db2.gz XVKISGZRKDNCMC-VDHUWJSZSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000925835741 628933156 /nfs/dbraw/zinc/93/31/56/628933156.db2.gz UCSBQTVCMFSVDI-RWMBFGLXSA-N 2 1 293.377 2.133 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1OC ZINC000261559612 628939219 /nfs/dbraw/zinc/93/92/19/628939219.db2.gz DUKVBQXIIQOHDI-SNVBAGLBSA-N 2 1 252.358 2.092 20 0 CEADMP C(CC[NH2+][C@@H]1CC[C@@H]1C1CCC1)CC[NH+]1CCNCC1 ZINC000925845717 628947660 /nfs/dbraw/zinc/94/76/60/628947660.db2.gz IAGHWPHCCAKZOT-IAGOWNOFSA-N 2 1 279.472 2.230 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000925873264 628972059 /nfs/dbraw/zinc/97/20/59/628972059.db2.gz HIUQJOTYEAFAAE-XKQJLSEDSA-N 2 1 274.408 2.421 20 0 CEADMP CO[C@@H]1CC[C@@H]([NH+](C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000821379892 634702595 /nfs/dbraw/zinc/70/25/95/634702595.db2.gz LUEUXDHDKPUTTD-RRFJBIMHSA-N 2 1 254.418 2.360 20 0 CEADMP CO[C@@H]1CC[C@@H]([N@@H+](C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000821379892 634702581 /nfs/dbraw/zinc/70/25/81/634702581.db2.gz LUEUXDHDKPUTTD-RRFJBIMHSA-N 2 1 254.418 2.360 20 0 CEADMP CO[C@@H]1CC[C@@H]([NH+](C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000821379892 634702589 /nfs/dbraw/zinc/70/25/89/634702589.db2.gz LUEUXDHDKPUTTD-RRFJBIMHSA-N 2 1 254.418 2.360 20 0 CEADMP CCC[N@@H+](CC1CC[NH+](C)CC1)[C@H](CC)C(=O)OCC ZINC000893985470 629077937 /nfs/dbraw/zinc/07/79/37/629077937.db2.gz JZRLTGPSDZIRSJ-OAHLLOKOSA-N 2 1 284.444 2.382 20 0 CEADMP Cc1noc2ncc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3C)cc12 ZINC000894165675 629179054 /nfs/dbraw/zinc/17/90/54/629179054.db2.gz RBWKSCRPXDXFHM-LLVKDONJSA-N 2 1 299.378 2.462 20 0 CEADMP Cc1ccc(OCC[N@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261746073 629180261 /nfs/dbraw/zinc/18/02/61/629180261.db2.gz JAMJEUYZGNSAQO-INIZCTEOSA-N 2 1 262.397 2.305 20 0 CEADMP CCON1CCC([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000924958390 629296158 /nfs/dbraw/zinc/29/61/58/629296158.db2.gz FSKSUTKGDUMOEQ-HNNXBMFYSA-N 2 1 283.460 2.112 20 0 CEADMP CSC(C)(C)CC[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000894377069 629407745 /nfs/dbraw/zinc/40/77/45/629407745.db2.gz YCDZDZMLCZGQRU-UHFFFAOYSA-N 2 1 287.517 2.135 20 0 CEADMP CC1(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)COC1 ZINC000879949443 629442870 /nfs/dbraw/zinc/44/28/70/629442870.db2.gz WCMPFDNUKOYDAO-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2C2CC2)C1 ZINC000894457251 629471273 /nfs/dbraw/zinc/47/12/73/629471273.db2.gz WUQNJYHCBYCHPP-CYBMUJFWSA-N 2 1 276.428 2.117 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2C2CC2)C1 ZINC000894457251 629471275 /nfs/dbraw/zinc/47/12/75/629471275.db2.gz WUQNJYHCBYCHPP-CYBMUJFWSA-N 2 1 276.428 2.117 20 0 CEADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894775759 629629216 /nfs/dbraw/zinc/62/92/16/629629216.db2.gz BULRKYSKVMZOSE-UHFFFAOYSA-N 2 1 290.411 2.432 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894775759 629629219 /nfs/dbraw/zinc/62/92/19/629629219.db2.gz BULRKYSKVMZOSE-UHFFFAOYSA-N 2 1 290.411 2.432 20 0 CEADMP C[C@H]1C[N@H+](C/C=C/Cl)CCN1c1cc[nH+]cc1 ZINC000880263671 629632022 /nfs/dbraw/zinc/63/20/22/629632022.db2.gz ZWCNBLZWVKJJBD-PWFBRDGFSA-N 2 1 251.761 2.345 20 0 CEADMP C[C@H]1C[N@@H+](C/C=C/Cl)CCN1c1cc[nH+]cc1 ZINC000880263671 629632026 /nfs/dbraw/zinc/63/20/26/629632026.db2.gz ZWCNBLZWVKJJBD-PWFBRDGFSA-N 2 1 251.761 2.345 20 0 CEADMP Cc1ccnc(N)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000894780052 629637896 /nfs/dbraw/zinc/63/78/96/629637896.db2.gz VXMZQCJAWOQOFZ-OAHLLOKOSA-N 2 1 288.439 2.136 20 0 CEADMP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C2CC2)n1 ZINC000894861057 629698096 /nfs/dbraw/zinc/69/80/96/629698096.db2.gz OLZZVNPIZOOQSC-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000894861050 629698267 /nfs/dbraw/zinc/69/82/67/629698267.db2.gz OHCITMFZLVBKAK-LBPRGKRZSA-N 2 1 266.360 2.353 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@]1(O)CCc2ccccc21 ZINC000895090883 629882754 /nfs/dbraw/zinc/88/27/54/629882754.db2.gz QINSUXGXNFEEMV-SFHVURJKSA-N 2 1 288.435 2.094 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000796875983 630051560 /nfs/dbraw/zinc/05/15/60/630051560.db2.gz UVMARRROJPTMPV-DDHJBXDOSA-N 2 1 280.334 2.026 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000895293441 630085550 /nfs/dbraw/zinc/08/55/50/630085550.db2.gz LPXPTKIZHZUIGX-LBPRGKRZSA-N 2 1 252.406 2.202 20 0 CEADMP COc1cc(C)c(C[NH2+]CC[C@H](C)[NH+](C)C)c(C)n1 ZINC000895296466 630089510 /nfs/dbraw/zinc/08/95/10/630089510.db2.gz LVMWLLDYVJIDRJ-LBPRGKRZSA-N 2 1 265.401 2.137 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(N3CC[C@H](CC[NH+](C)C)C3)c12 ZINC000895319331 630106513 /nfs/dbraw/zinc/10/65/13/630106513.db2.gz HQJZESABTNZUQE-LBPRGKRZSA-N 2 1 287.411 2.298 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H](O)c2ccc(C)cc2)CC1 ZINC000797060300 630122253 /nfs/dbraw/zinc/12/22/53/630122253.db2.gz LRGUYAKOKWKYRQ-PBHICJAKSA-N 2 1 276.424 2.491 20 0 CEADMP CC1CC[NH+](CCCNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000895490048 630217839 /nfs/dbraw/zinc/21/78/39/630217839.db2.gz KQUKZUMDTLQAHA-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC000895509378 630228145 /nfs/dbraw/zinc/22/81/45/630228145.db2.gz QTLBVGXWECZZKL-ZFWWWQNUSA-N 2 1 277.412 2.339 20 0 CEADMP CCn1nccc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895555731 630247544 /nfs/dbraw/zinc/24/75/44/630247544.db2.gz BUELGTAEKHPNKR-AWEZNQCLSA-N 2 1 285.395 2.009 20 0 CEADMP CCn1nccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895555731 630247548 /nfs/dbraw/zinc/24/75/48/630247548.db2.gz BUELGTAEKHPNKR-AWEZNQCLSA-N 2 1 285.395 2.009 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(=O)[nH]c1 ZINC000895682511 630305727 /nfs/dbraw/zinc/30/57/27/630305727.db2.gz GFSVMKYLMZZLPM-UHFFFAOYSA-N 2 1 277.412 2.485 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000895814400 630359680 /nfs/dbraw/zinc/35/96/80/630359680.db2.gz RLTQCDYOZOCEBA-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP C1C[C@@H]2[C@H](O1)[C@H]1CC[C@@H]([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000902747063 634807708 /nfs/dbraw/zinc/80/77/08/634807708.db2.gz BWFJRGYWVUCGPM-IMDKATDPSA-N 2 1 276.424 2.016 20 0 CEADMP C1C[C@@H]2[C@H](O1)[C@H]1CC[C@@H]([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000902747063 634807713 /nfs/dbraw/zinc/80/77/13/634807713.db2.gz BWFJRGYWVUCGPM-IMDKATDPSA-N 2 1 276.424 2.016 20 0 CEADMP C1C[C@@H]2C[C@H]([NH2+][C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)CC[N@H+]2C1 ZINC000902752244 634809755 /nfs/dbraw/zinc/80/97/55/634809755.db2.gz IJWRYLFNGLZNKC-BEPHGODMSA-N 2 1 276.424 2.016 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCS[C@H](C(F)(F)F)C2)CC1 ZINC000896454178 630565043 /nfs/dbraw/zinc/56/50/43/630565043.db2.gz UDSSRULOYDYQPM-NSHDSACASA-N 2 1 282.375 2.308 20 0 CEADMP C[NH+](C)C1(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)CCOCC1 ZINC000902804072 634829673 /nfs/dbraw/zinc/82/96/73/634829673.db2.gz MMPOKSHDKFNBEE-ZIAGYGMSSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000984887767 630686765 /nfs/dbraw/zinc/68/67/65/630686765.db2.gz NECXFFVBODXYQW-JYJNAYRXSA-N 2 1 295.471 2.142 20 0 CEADMP C[C@@H](CCO)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935463 630954478 /nfs/dbraw/zinc/95/44/78/630954478.db2.gz PDLBFJPVAYRSNI-RDJZCZTQSA-N 2 1 276.424 2.259 20 0 CEADMP Cc1nccn1CCC[N@H+](C)Cc1cnc(Cl)cn1 ZINC000799143764 630985860 /nfs/dbraw/zinc/98/58/60/630985860.db2.gz QSCBPNLTCGIQMR-UHFFFAOYSA-N 2 1 279.775 2.157 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(Cl)cn1 ZINC000799143764 630985868 /nfs/dbraw/zinc/98/58/68/630985868.db2.gz QSCBPNLTCGIQMR-UHFFFAOYSA-N 2 1 279.775 2.157 20 0 CEADMP COc1ccccc1[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904323136 635569213 /nfs/dbraw/zinc/56/92/13/635569213.db2.gz NEMPTHOPKNIPFY-MELADBBJSA-N 2 1 260.381 2.222 20 0 CEADMP C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)[C@H](CCO)c1ccccc1 ZINC000904322431 635569530 /nfs/dbraw/zinc/56/95/30/635569530.db2.gz YBPJZRMRLGEXMC-SJORKVTESA-N 2 1 276.424 2.432 20 0 CEADMP Oc1cc(F)c(CC[NH2+]C2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000897304929 631069095 /nfs/dbraw/zinc/06/90/95/631069095.db2.gz LORYHBTXPVAKMD-UHFFFAOYSA-N 2 1 296.361 2.429 20 0 CEADMP CC[C@@]1(CO)CCC[N@H+]1C[C@@H]([NH3+])CCC(C)(C)C ZINC000904340120 635578994 /nfs/dbraw/zinc/57/89/94/635578994.db2.gz DAAYXIWLHKIIBS-ZFWWWQNUSA-N 2 1 256.434 2.377 20 0 CEADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)C1([NH+](C)C)CC1 ZINC000909602752 631108669 /nfs/dbraw/zinc/10/86/69/631108669.db2.gz ZFDMUGHXSJZFFT-UHFFFAOYSA-N 2 1 275.396 2.089 20 0 CEADMP Cc1cc([C@](C)(O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)o1 ZINC000305296838 631113055 /nfs/dbraw/zinc/11/30/55/631113055.db2.gz GRQIXGHOJUXZSE-YQQAZPJKSA-N 2 1 292.423 2.320 20 0 CEADMP CC[N@@H+](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000985683834 631173019 /nfs/dbraw/zinc/17/30/19/631173019.db2.gz WLTTURQXQJYXPS-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCCCCCC1 ZINC000321469063 631402299 /nfs/dbraw/zinc/40/22/99/631402299.db2.gz AAQWHLVDQCZBAB-OAHLLOKOSA-N 2 1 256.434 2.344 20 0 CEADMP Cc1cc2ccccc2nc1NCC[NH+]1CCC([NH3+])CC1 ZINC000321593281 631428786 /nfs/dbraw/zinc/42/87/86/631428786.db2.gz RXTFITHMTLJRCB-UHFFFAOYSA-N 2 1 284.407 2.378 20 0 CEADMP CCOc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1OC ZINC000904421330 635633235 /nfs/dbraw/zinc/63/32/35/635633235.db2.gz YMIWPVPSLSCIHN-LSDHHAIUSA-N 2 1 290.407 2.135 20 0 CEADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1OC ZINC000904421330 635633239 /nfs/dbraw/zinc/63/32/39/635633239.db2.gz YMIWPVPSLSCIHN-LSDHHAIUSA-N 2 1 290.407 2.135 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C3CC3)O2)CC1(C)C ZINC000897503794 631589815 /nfs/dbraw/zinc/58/98/15/631589815.db2.gz RNXYAKZIWWQSOM-RRFJBIMHSA-N 2 1 266.429 2.406 20 0 CEADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CC)C[C@@H]1C ZINC000804380722 631674844 /nfs/dbraw/zinc/67/48/44/631674844.db2.gz XHEPOKHLEMILCS-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CC)C[C@@H]1C ZINC000804380722 631674847 /nfs/dbraw/zinc/67/48/47/631674847.db2.gz XHEPOKHLEMILCS-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000804380722 631674854 /nfs/dbraw/zinc/67/48/54/631674854.db2.gz XHEPOKHLEMILCS-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000804380722 631674858 /nfs/dbraw/zinc/67/48/58/631674858.db2.gz XHEPOKHLEMILCS-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)CC1(C)C ZINC000897533570 631685632 /nfs/dbraw/zinc/68/56/32/631685632.db2.gz GERAYBWCJNRGFT-ZNMIVQPWSA-N 2 1 268.445 2.390 20 0 CEADMP COc1cccc2cc(C[NH2+]C3CC[NH2+]CC3)oc21 ZINC000841026484 631807095 /nfs/dbraw/zinc/80/70/95/631807095.db2.gz DRMOVGQZBIRHAX-UHFFFAOYSA-N 2 1 260.337 2.283 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccccc3)C[C@]2(C)C1 ZINC000897621846 631827650 /nfs/dbraw/zinc/82/76/50/631827650.db2.gz WMMRVLLXIZBHDG-AEFFLSMTSA-N 2 1 296.418 2.460 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccccc3)C[C@]2(C)C1 ZINC000897621846 631827659 /nfs/dbraw/zinc/82/76/59/631827659.db2.gz WMMRVLLXIZBHDG-AEFFLSMTSA-N 2 1 296.418 2.460 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)C[C@]2(C)C1 ZINC000897621846 631827666 /nfs/dbraw/zinc/82/76/66/631827666.db2.gz WMMRVLLXIZBHDG-AEFFLSMTSA-N 2 1 296.418 2.460 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@]2(C)C1 ZINC000897621846 631827669 /nfs/dbraw/zinc/82/76/69/631827669.db2.gz WMMRVLLXIZBHDG-AEFFLSMTSA-N 2 1 296.418 2.460 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2CC(C)(C)CC2=O)CC1 ZINC000808158808 631925950 /nfs/dbraw/zinc/92/59/50/631925950.db2.gz BKXGYHLPPXMEDI-UHFFFAOYSA-N 2 1 295.471 2.255 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CCO)C2CCCC2)CC1(C)C ZINC000897881791 631959120 /nfs/dbraw/zinc/95/91/20/631959120.db2.gz ALYOGGIHNHDLFE-CABCVRRESA-N 2 1 268.445 2.390 20 0 CEADMP CCC[C@H](C[NH+]1CCC([NH2+]C2CCC2)CC1)OC ZINC000897982696 632004607 /nfs/dbraw/zinc/00/46/07/632004607.db2.gz PEELPSBCKZLXAN-OAHLLOKOSA-N 2 1 254.418 2.408 20 0 CEADMP CNC(=O)c1ccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC000898308910 632166532 /nfs/dbraw/zinc/16/65/32/632166532.db2.gz GPFJOFHHQJOOIX-UHFFFAOYSA-N 2 1 291.439 2.066 20 0 CEADMP CNC(=O)c1ccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC000898308910 632166537 /nfs/dbraw/zinc/16/65/37/632166537.db2.gz GPFJOFHHQJOOIX-UHFFFAOYSA-N 2 1 291.439 2.066 20 0 CEADMP CN(Cc1ncc(C[NH+](C)C)s1)CC(C)(C)C[NH+](C)C ZINC000898308041 632166644 /nfs/dbraw/zinc/16/66/44/632166644.db2.gz MPYOEAZVJOPLOR-UHFFFAOYSA-N 2 1 298.500 2.224 20 0 CEADMP C[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)C2CCCC2)CC[N@H+]1C ZINC000810549286 632226948 /nfs/dbraw/zinc/22/69/48/632226948.db2.gz JYVWUHRHZPZNAM-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000989728461 632232667 /nfs/dbraw/zinc/23/26/67/632232667.db2.gz KXXWTAXSWMYFLK-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCC1 ZINC000322850195 632245431 /nfs/dbraw/zinc/24/54/31/632245431.db2.gz PFTLYMXDUCEEBH-KKUMJFAQSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCC1 ZINC000322850195 632245435 /nfs/dbraw/zinc/24/54/35/632245435.db2.gz PFTLYMXDUCEEBH-KKUMJFAQSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H](C[NH2+]C1CC2(C1)CO[C@H](C)C2)[NH+]1CCCC1 ZINC000924640698 632380473 /nfs/dbraw/zinc/38/04/73/632380473.db2.gz YLEXITOQBOZTPO-CIDNJEQPSA-N 2 1 266.429 2.408 20 0 CEADMP CCO[C@H](C[NH2+][C@H](C)CCC(F)(F)F)C[NH+](C)C ZINC000926961520 632388028 /nfs/dbraw/zinc/38/80/28/632388028.db2.gz PIPUZIIFTDAVFC-GHMZBOCLSA-N 2 1 270.339 2.274 20 0 CEADMP CCO[C@@H](C[NH2+]C1CCc2ccccc2CC1)C[NH+](C)C ZINC000926963944 632392805 /nfs/dbraw/zinc/39/28/05/632392805.db2.gz WDMOIRFDCMDMCO-SFHVURJKSA-N 2 1 290.451 2.490 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]C2[C@@H](C)CC[C@@H]2C)CC1 ZINC000924657465 632398487 /nfs/dbraw/zinc/39/84/87/632398487.db2.gz DQCTVIMWQNAJKP-HOTGVXAUSA-N 2 1 281.488 2.428 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000873234423 632410807 /nfs/dbraw/zinc/41/08/07/632410807.db2.gz FCNDAVWHZKODGQ-BFHYXJOUSA-N 2 1 254.418 2.312 20 0 CEADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000924694776 632425245 /nfs/dbraw/zinc/42/52/45/632425245.db2.gz HAFGJLOUMVWFHC-VGWMRTNUSA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CCCO)C1 ZINC000924705016 632438418 /nfs/dbraw/zinc/43/84/18/632438418.db2.gz JYLJSODMOMICEA-OAGGEKHMSA-N 2 1 268.445 2.249 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000924752769 632739849 /nfs/dbraw/zinc/73/98/49/632739849.db2.gz CWNFDKYOYHOYPV-XUJLQICISA-N 2 1 266.429 2.002 20 0 CEADMP CC(C)C(=O)CC[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000815144080 632970889 /nfs/dbraw/zinc/97/08/89/632970889.db2.gz UAOHGUVHTXNDAN-HNNXBMFYSA-N 2 1 252.402 2.019 20 0 CEADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000815564032 633031456 /nfs/dbraw/zinc/03/14/56/633031456.db2.gz VGSFFMNSZNIIFM-DZGCQCFKSA-N 2 1 280.387 2.241 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@]1(C)CCCO1 ZINC000815579759 633033403 /nfs/dbraw/zinc/03/34/03/633033403.db2.gz UGWOIOJGEPPCCF-BHYGNILZSA-N 2 1 296.455 2.177 20 0 CEADMP CC(C)[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C(C)C ZINC000900013149 633167095 /nfs/dbraw/zinc/16/70/95/633167095.db2.gz RCRNKOFOJCUXJD-JKSUJKDBSA-N 2 1 295.471 2.238 20 0 CEADMP [NH3+][C@@H]1c2ccccc2C[C@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000900021583 633186801 /nfs/dbraw/zinc/18/68/01/633186801.db2.gz YSTNHVNHEYDQGI-CZUORRHYSA-N 2 1 281.363 2.088 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCCCC1 ZINC000817578896 633701097 /nfs/dbraw/zinc/70/10/97/633701097.db2.gz ZHWDHWRWBFIZRY-JYJNAYRXSA-N 2 1 296.455 2.177 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CCCCC1 ZINC000817578896 633701101 /nfs/dbraw/zinc/70/11/01/633701101.db2.gz ZHWDHWRWBFIZRY-JYJNAYRXSA-N 2 1 296.455 2.177 20 0 CEADMP Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000817889123 633753557 /nfs/dbraw/zinc/75/35/57/633753557.db2.gz MOJCXBSUXLZDBE-LRDDRELGSA-N 2 1 271.364 2.187 20 0 CEADMP C[C@H]([NH2+]C[C@H]1COc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000817891901 633754728 /nfs/dbraw/zinc/75/47/28/633754728.db2.gz PKNYLEXTXYHWPS-OFQRWUPVSA-N 2 1 274.408 2.358 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc(Cl)nc1)[C@H]1CCC[NH2+]1 ZINC000817902464 633764155 /nfs/dbraw/zinc/76/41/55/633764155.db2.gz QZARLOFPHDQIIX-ZYHUDNBSSA-N 2 1 253.777 2.008 20 0 CEADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000817904659 633765166 /nfs/dbraw/zinc/76/51/66/633765166.db2.gz FSMQSBNLNHIGML-MPTQWLOMSA-N 2 1 280.387 2.368 20 0 CEADMP CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1ccco1)[C@@H]1CCC[NH2+]1 ZINC000817913398 633771038 /nfs/dbraw/zinc/77/10/38/633771038.db2.gz OMAVHGOVHRYBLL-ZOBORPQBSA-N 2 1 266.385 2.212 20 0 CEADMP C[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000817917562 633776140 /nfs/dbraw/zinc/77/61/40/633776140.db2.gz OJCOMWVZOCYUJI-FVQBIDKESA-N 2 1 274.408 2.230 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Br)nc1 ZINC000817936466 633787834 /nfs/dbraw/zinc/78/78/34/633787834.db2.gz OUSRTBMDVCWZNM-SECBINFHSA-N 2 1 284.201 2.247 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000817939273 633788526 /nfs/dbraw/zinc/78/85/26/633788526.db2.gz BUVKMQBGGOPXJH-ZDUSSCGKSA-N 2 1 272.396 2.441 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(N2CCCC2=O)cc1 ZINC000817964663 633805839 /nfs/dbraw/zinc/80/58/39/633805839.db2.gz HQOCXTFTYUFWSS-ZDUSSCGKSA-N 2 1 287.407 2.345 20 0 CEADMP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000817982269 633825132 /nfs/dbraw/zinc/82/51/32/633825132.db2.gz QKBRSQFAKWGQBI-JSGCOSHPSA-N 2 1 266.360 2.163 20 0 CEADMP C[C@@H](O)c1ncc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000818431977 633920997 /nfs/dbraw/zinc/92/09/97/633920997.db2.gz YRRUUYIPMAMGQY-VXGBXAGGSA-N 2 1 295.452 2.160 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(C)cc2)C1 ZINC000818981770 634027811 /nfs/dbraw/zinc/02/78/11/634027811.db2.gz YONQORUFRWFPGR-RDJZCZTQSA-N 2 1 276.424 2.350 20 0 CEADMP CCCCCC[C@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC000818988375 634029530 /nfs/dbraw/zinc/02/95/30/634029530.db2.gz JISUZZLTJQXIKM-AWEZNQCLSA-N 2 1 253.390 2.112 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)C1=CC[N@@H+](C)CC1 ZINC000819219431 634107830 /nfs/dbraw/zinc/10/78/30/634107830.db2.gz DNVFOYGEHKLUNS-LRDDRELGSA-N 2 1 278.371 2.099 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)C1=CC[N@@H+](C)CC1 ZINC000819219437 634108271 /nfs/dbraw/zinc/10/82/71/634108271.db2.gz DOVKWYBPNUPHLV-WBMJQRKESA-N 2 1 278.371 2.099 20 0 CEADMP C([NH2+][C@@H]1CCOC12CCCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000903067489 634953342 /nfs/dbraw/zinc/95/33/42/634953342.db2.gz SPUINSFEHPJDHD-DZGCQCFKSA-N 2 1 264.413 2.162 20 0 CEADMP COCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903085836 634962831 /nfs/dbraw/zinc/96/28/31/634962831.db2.gz HGSOGYLMTKINNA-YPRXJGMQSA-N 2 1 252.402 2.159 20 0 CEADMP COC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903110666 634974427 /nfs/dbraw/zinc/97/44/27/634974427.db2.gz FNASBXJWFYVOBM-QXMXGUDHSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCc2ccnn2-c2ccccc2)CC[N@H+]1C ZINC000903169334 635003688 /nfs/dbraw/zinc/00/36/88/635003688.db2.gz HBSIXVQXKXJGCR-JKSUJKDBSA-N 2 1 298.434 2.487 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H](O)C(F)(F)F ZINC000903214031 635018307 /nfs/dbraw/zinc/01/83/07/635018307.db2.gz WGYWDARSEPSVDN-DJNKAMCUSA-N 2 1 292.345 2.046 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](O)C(F)(F)F ZINC000903214031 635018312 /nfs/dbraw/zinc/01/83/12/635018312.db2.gz WGYWDARSEPSVDN-DJNKAMCUSA-N 2 1 292.345 2.046 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCN1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000903321335 635054773 /nfs/dbraw/zinc/05/47/73/635054773.db2.gz CCYXZOODDIGWPE-SZMVWBNQSA-N 2 1 287.451 2.191 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000903354541 635082294 /nfs/dbraw/zinc/08/22/94/635082294.db2.gz AFDOFUWIXRVLQK-MBOZISHXSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903426970 635113061 /nfs/dbraw/zinc/11/30/61/635113061.db2.gz ONGKEJIFBGTUOM-FMKPAKJESA-N 2 1 299.422 2.116 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCOC[C@H]2c2ccccc2)C1 ZINC000903439355 635118667 /nfs/dbraw/zinc/11/86/67/635118667.db2.gz HBUREXRSYYEFBN-IMJJTQAJSA-N 2 1 260.381 2.187 20 0 CEADMP CO[C@]1(C)C[C@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000903440805 635120561 /nfs/dbraw/zinc/12/05/61/635120561.db2.gz DEDUTFQMIDOUGX-UKTARXLSSA-N 2 1 254.418 2.249 20 0 CEADMP CCSc1ccccc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000903458458 635124522 /nfs/dbraw/zinc/12/45/22/635124522.db2.gz AFMJWBYFXOISHS-CQSZACIVSA-N 2 1 280.437 2.348 20 0 CEADMP CCSc1ccccc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000903458458 635124526 /nfs/dbraw/zinc/12/45/26/635124526.db2.gz AFMJWBYFXOISHS-CQSZACIVSA-N 2 1 280.437 2.348 20 0 CEADMP FC1(F)[C@@H]2C[C@@H](C[NH+]3CCC4(CC[NH2+]4)CC3)C[C@@H]21 ZINC000903459117 635125093 /nfs/dbraw/zinc/12/50/93/635125093.db2.gz BTNNFSPCONTOIL-CNDDSTCGSA-N 2 1 256.340 2.106 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCOC[C@H]2c2cccc(F)c2)C1 ZINC000903463581 635127301 /nfs/dbraw/zinc/12/73/01/635127301.db2.gz FVAAPSWVSLXESN-MAZHCROVSA-N 2 1 278.371 2.326 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCOC[C@H]2c2cccc(F)c2)C1 ZINC000903463581 635127304 /nfs/dbraw/zinc/12/73/04/635127304.db2.gz FVAAPSWVSLXESN-MAZHCROVSA-N 2 1 278.371 2.326 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(C)nn1 ZINC000903476302 635145099 /nfs/dbraw/zinc/14/50/99/635145099.db2.gz TZZZDNAQRZCCHB-INIZCTEOSA-N 2 1 276.428 2.290 20 0 CEADMP Fc1ccc(OCCC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903466183 635153202 /nfs/dbraw/zinc/15/32/02/635153202.db2.gz QZSUCRSZWMCXBB-HNNXBMFYSA-N 2 1 278.371 2.469 20 0 CEADMP CC1(C)CC(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1 ZINC000903505891 635154122 /nfs/dbraw/zinc/15/41/22/635154122.db2.gz KVSLJGIXVHECLB-CALCHBBNSA-N 2 1 291.483 2.323 20 0 CEADMP CC1(C)CC(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC000903505891 635154125 /nfs/dbraw/zinc/15/41/25/635154125.db2.gz KVSLJGIXVHECLB-CALCHBBNSA-N 2 1 291.483 2.323 20 0 CEADMP CC1(C)CC(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC000903505891 635154127 /nfs/dbraw/zinc/15/41/27/635154127.db2.gz KVSLJGIXVHECLB-CALCHBBNSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1CC[NH3+] ZINC000903496731 635157202 /nfs/dbraw/zinc/15/72/02/635157202.db2.gz ATUHNBOIOYXJOJ-GDBMZVCRSA-N 2 1 284.407 2.289 20 0 CEADMP CCN(C(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C1CCCCC1 ZINC000903495111 635157209 /nfs/dbraw/zinc/15/72/09/635157209.db2.gz VQFOOJOHKDQXFB-HUUCEWRRSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497275 635157377 /nfs/dbraw/zinc/15/73/77/635157377.db2.gz SOHFQZSHIJYJJE-RBSFLKMASA-N 2 1 299.422 2.245 20 0 CEADMP CCCCCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903513200 635159037 /nfs/dbraw/zinc/15/90/37/635159037.db2.gz XJFLRWCJFXJAPS-CALCHBBNSA-N 2 1 279.472 2.467 20 0 CEADMP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903513200 635159041 /nfs/dbraw/zinc/15/90/41/635159041.db2.gz XJFLRWCJFXJAPS-CALCHBBNSA-N 2 1 279.472 2.467 20 0 CEADMP CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903513200 635159045 /nfs/dbraw/zinc/15/90/45/635159045.db2.gz XJFLRWCJFXJAPS-CALCHBBNSA-N 2 1 279.472 2.467 20 0 CEADMP C[NH2+]CCC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000903565367 635164608 /nfs/dbraw/zinc/16/46/08/635164608.db2.gz IDHQEEYLAVHKHM-LBPRGKRZSA-N 2 1 299.212 2.472 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903716790 635231095 /nfs/dbraw/zinc/23/10/95/635231095.db2.gz SAXDWQFRELFWDU-SRVKXCTJSA-N 2 1 280.334 2.028 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903716790 635231098 /nfs/dbraw/zinc/23/10/98/635231098.db2.gz SAXDWQFRELFWDU-SRVKXCTJSA-N 2 1 280.334 2.028 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717262 635232252 /nfs/dbraw/zinc/23/22/52/635232252.db2.gz LWOJAXIBIHNNHM-ILXRZTDVSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@@H+](C[C@H]1CCC[C@H](C(F)(F)F)O1)CC(C)(C)C[NH3+] ZINC000903717566 635232450 /nfs/dbraw/zinc/23/24/50/635232450.db2.gz RXLYKMMRDPRGGY-GHMZBOCLSA-N 2 1 282.350 2.403 20 0 CEADMP CCCC[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903722385 635235815 /nfs/dbraw/zinc/23/58/15/635235815.db2.gz LRHUCPSFYMLMSG-HUUCEWRRSA-N 2 1 252.402 2.020 20 0 CEADMP FC(F)(F)CO[C@@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903722889 635236309 /nfs/dbraw/zinc/23/63/09/635236309.db2.gz QJDJBCXUMCJPJY-QWHCGFSZSA-N 2 1 294.361 2.419 20 0 CEADMP FC(F)(F)CO[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903722889 635236310 /nfs/dbraw/zinc/23/63/10/635236310.db2.gz QJDJBCXUMCJPJY-QWHCGFSZSA-N 2 1 294.361 2.419 20 0 CEADMP C[C@H](C1CC1)[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903723866 635237632 /nfs/dbraw/zinc/23/76/32/635237632.db2.gz YWNBJUKESVOLNW-CJNGLKHVSA-N 2 1 278.440 2.408 20 0 CEADMP CCS[C@@H]1CCCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903729530 635240296 /nfs/dbraw/zinc/24/02/96/635240296.db2.gz OAMKAJFIROGYRN-BZUAXINKSA-N 2 1 298.496 2.363 20 0 CEADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC2(CCCC2)C1 ZINC000903729935 635242468 /nfs/dbraw/zinc/24/24/68/635242468.db2.gz SWGZSNMDVMXQRJ-GDBMZVCRSA-N 2 1 264.413 2.021 20 0 CEADMP Fc1cccc([C@@H]2CC[N@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903733916 635250585 /nfs/dbraw/zinc/25/05/85/635250585.db2.gz MWAAFTOSGPOZMX-YESZJQIVSA-N 2 1 290.382 2.341 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CCOC1CCSCC1)CC[NH2+]CC2 ZINC000903762597 635257119 /nfs/dbraw/zinc/25/71/19/635257119.db2.gz BAFNTORTMDVZMC-AWEZNQCLSA-N 2 1 298.496 2.363 20 0 CEADMP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903764942 635258669 /nfs/dbraw/zinc/25/86/69/635258669.db2.gz CHLDQDNZJGVCLT-ZJIFWQFVSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@@H+](CCc1nccs1)C[C@@H]1CCCC[NH2+]C1 ZINC000903755128 635261219 /nfs/dbraw/zinc/26/12/19/635261219.db2.gz BDIYNVLOOSFRKL-CYBMUJFWSA-N 2 1 267.442 2.397 20 0 CEADMP CC(C)c1ccccc1C[N@@H+](C)CCOCC[NH3+] ZINC000903770330 635261293 /nfs/dbraw/zinc/26/12/93/635261293.db2.gz WYBWWEMAABJDPW-UHFFFAOYSA-N 2 1 250.386 2.217 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](CCOC2CCSCC2)C1 ZINC000903775082 635264771 /nfs/dbraw/zinc/26/47/71/635264771.db2.gz HNHORIXQFAHCNW-CYBMUJFWSA-N 2 1 272.458 2.102 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](CCOC2CCSCC2)C1 ZINC000903775082 635264775 /nfs/dbraw/zinc/26/47/75/635264775.db2.gz HNHORIXQFAHCNW-CYBMUJFWSA-N 2 1 272.458 2.102 20 0 CEADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCCC2(CC2)CC1 ZINC000903776854 635264996 /nfs/dbraw/zinc/26/49/96/635264996.db2.gz XCJRKQAOCFNBRC-OAHLLOKOSA-N 2 1 278.440 2.411 20 0 CEADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782531 635267360 /nfs/dbraw/zinc/26/73/60/635267360.db2.gz OIQCCOVRLPAVRD-VNHYZAJKSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C[C@H]1CC[NH3+] ZINC000903784410 635268844 /nfs/dbraw/zinc/26/88/44/635268844.db2.gz OCFIPLJIPDJOJL-LPWJVIDDSA-N 2 1 294.361 2.403 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2CCc1ccc2c(c1)CCO2 ZINC000903797405 635274838 /nfs/dbraw/zinc/27/48/38/635274838.db2.gz HIEQEHNNVMZKKG-FUHWJXTLSA-N 2 1 286.419 2.367 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2CCc1ccc2c(c1)CCO2 ZINC000903797405 635274847 /nfs/dbraw/zinc/27/48/47/635274847.db2.gz HIEQEHNNVMZKKG-FUHWJXTLSA-N 2 1 286.419 2.367 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2CCCc1ccncc1 ZINC000903802570 635279312 /nfs/dbraw/zinc/27/93/12/635279312.db2.gz SKURJFDDGGNKTM-JKSUJKDBSA-N 2 1 259.397 2.218 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2CCCc1ccncc1 ZINC000903802570 635279318 /nfs/dbraw/zinc/27/93/18/635279318.db2.gz SKURJFDDGGNKTM-JKSUJKDBSA-N 2 1 259.397 2.218 20 0 CEADMP Cc1cn(C)nc1C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812113 635286432 /nfs/dbraw/zinc/28/64/32/635286432.db2.gz QANRWHYRBMAIAN-OAHLLOKOSA-N 2 1 276.428 2.212 20 0 CEADMP Cc1cn(C)nc1C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812113 635286435 /nfs/dbraw/zinc/28/64/35/635286435.db2.gz QANRWHYRBMAIAN-OAHLLOKOSA-N 2 1 276.428 2.212 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CC(=O)NC2CCCC2)CCC1 ZINC000903813030 635286641 /nfs/dbraw/zinc/28/66/41/635286641.db2.gz CGUSIBWIFVUMNW-HNNXBMFYSA-N 2 1 293.455 2.029 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CC(=O)NC2CCCC2)CCC1 ZINC000903813030 635286645 /nfs/dbraw/zinc/28/66/45/635286645.db2.gz CGUSIBWIFVUMNW-HNNXBMFYSA-N 2 1 293.455 2.029 20 0 CEADMP Cc1cnccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000823850418 635291057 /nfs/dbraw/zinc/29/10/57/635291057.db2.gz CBNMTCZRVXDOFZ-KRWDZBQOSA-N 2 1 289.423 2.123 20 0 CEADMP C(C[NH2+]C1CC1)C[N@H+]1CCCSC[C@H]1C1CC1 ZINC000903827484 635294605 /nfs/dbraw/zinc/29/46/05/635294605.db2.gz UJSLNNJBFOEKCK-AWEZNQCLSA-N 2 1 254.443 2.346 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@H]1CCC2(CCC2)CO1 ZINC000903857287 635307528 /nfs/dbraw/zinc/30/75/28/635307528.db2.gz DBPPTFBHGMNCBY-IIAWOOMASA-N 2 1 264.413 2.149 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@H]1CCC2(CCC2)CO1 ZINC000903857287 635307537 /nfs/dbraw/zinc/30/75/37/635307537.db2.gz DBPPTFBHGMNCBY-IIAWOOMASA-N 2 1 264.413 2.149 20 0 CEADMP CC1(C)C[C@H](C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])C(C)(C)O1 ZINC000903857175 635307980 /nfs/dbraw/zinc/30/79/80/635307980.db2.gz CQSCFHYIJSCTRU-WOSRLPQWSA-N 2 1 266.429 2.393 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])C(C)(C)O1 ZINC000903857175 635307983 /nfs/dbraw/zinc/30/79/83/635307983.db2.gz CQSCFHYIJSCTRU-WOSRLPQWSA-N 2 1 266.429 2.393 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2Cc1ccc2cc[nH]c2c1 ZINC000903857517 635309651 /nfs/dbraw/zinc/30/96/51/635309651.db2.gz FEQNAFKMMNWVBX-GOEBONIOSA-N 2 1 255.365 2.481 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2Cc1ccc2cc[nH]c2c1 ZINC000903857517 635309655 /nfs/dbraw/zinc/30/96/55/635309655.db2.gz FEQNAFKMMNWVBX-GOEBONIOSA-N 2 1 255.365 2.481 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2Cc1cccc2c1CCOC2 ZINC000903861999 635313038 /nfs/dbraw/zinc/31/30/38/635313038.db2.gz ZYDSDYNFXOZSLI-DOTOQJQBSA-N 2 1 272.392 2.073 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2Cc1cccc2c1CCOC2 ZINC000903861999 635313045 /nfs/dbraw/zinc/31/30/45/635313045.db2.gz ZYDSDYNFXOZSLI-DOTOQJQBSA-N 2 1 272.392 2.073 20 0 CEADMP C[C@]12CSC[C@H]1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000903870049 635319089 /nfs/dbraw/zinc/31/90/89/635319089.db2.gz CYKXIUQSHKSKQI-KGLIPLIRSA-N 2 1 254.443 2.061 20 0 CEADMP c1ccc(COCCC[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000903871032 635319614 /nfs/dbraw/zinc/31/96/14/635319614.db2.gz RWYPRVDGLRKIAX-KRWDZBQOSA-N 2 1 274.408 2.421 20 0 CEADMP c1ccc(COCCC[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000903871032 635319621 /nfs/dbraw/zinc/31/96/21/635319621.db2.gz RWYPRVDGLRKIAX-KRWDZBQOSA-N 2 1 274.408 2.421 20 0 CEADMP CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903873773 635320764 /nfs/dbraw/zinc/32/07/64/635320764.db2.gz XIGJUQBHONVINL-MRXNPFEDSA-N 2 1 299.422 2.225 20 0 CEADMP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903873773 635320771 /nfs/dbraw/zinc/32/07/71/635320771.db2.gz XIGJUQBHONVINL-MRXNPFEDSA-N 2 1 299.422 2.225 20 0 CEADMP CC(C)[C@H](C)[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903872810 635321670 /nfs/dbraw/zinc/32/16/70/635321670.db2.gz JACHVNZQXAFWPF-ZFWWWQNUSA-N 2 1 291.443 2.212 20 0 CEADMP Cn1c(Cl)cnc1C[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903902696 635339559 /nfs/dbraw/zinc/33/95/59/635339559.db2.gz MZOVNORUORCOJV-YOGCLGLASA-N 2 1 282.819 2.036 20 0 CEADMP Cn1c(Cl)cnc1C[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903902696 635339565 /nfs/dbraw/zinc/33/95/65/635339565.db2.gz MZOVNORUORCOJV-YOGCLGLASA-N 2 1 282.819 2.036 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)C[C@H]([NH3+])CC(F)F)c1C ZINC000903906602 635341675 /nfs/dbraw/zinc/34/16/75/635341675.db2.gz WKVISUIZQMSWLW-LLVKDONJSA-N 2 1 287.354 2.121 20 0 CEADMP c1cc(C[C@H]2CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)ccn1 ZINC000903908506 635343609 /nfs/dbraw/zinc/34/36/09/635343609.db2.gz KELMOIDYFBIDBL-CSNJMZFVSA-N 2 1 285.435 2.477 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](C)[C@H](C)O1 ZINC000903912190 635346371 /nfs/dbraw/zinc/34/63/71/635346371.db2.gz AWTXTGBLYPXSIZ-MCIONIFRSA-N 2 1 274.408 2.330 20 0 CEADMP CCOc1ccccc1CC[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903923019 635351185 /nfs/dbraw/zinc/35/11/85/635351185.db2.gz JPYMJCQIQFQTLJ-LBPRGKRZSA-N 2 1 272.339 2.200 20 0 CEADMP C[C@H](C[NH2+]C[C@@H]([NH3+])CC(F)F)Cc1cccs1 ZINC000903925992 635352945 /nfs/dbraw/zinc/35/29/45/635352945.db2.gz QNIVGAFRANAKFN-UWVGGRQHSA-N 2 1 262.369 2.499 20 0 CEADMP O[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903930541 635357198 /nfs/dbraw/zinc/35/71/98/635357198.db2.gz ZRJHORIPYSBIBA-JQWQUYJUSA-N 2 1 286.419 2.325 20 0 CEADMP CCOc1cccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000903959478 635369049 /nfs/dbraw/zinc/36/90/49/635369049.db2.gz ISDGCTBAJHVHQA-QGZVFWFLSA-N 2 1 289.423 2.446 20 0 CEADMP CCOc1cccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000903959478 635369055 /nfs/dbraw/zinc/36/90/55/635369055.db2.gz ISDGCTBAJHVHQA-QGZVFWFLSA-N 2 1 289.423 2.446 20 0 CEADMP c1ncc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000903959148 635369199 /nfs/dbraw/zinc/36/91/99/635369199.db2.gz BPTDXKHSJJYTIO-CYBMUJFWSA-N 2 1 251.399 2.109 20 0 CEADMP c1ncc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000903959148 635369207 /nfs/dbraw/zinc/36/92/07/635369207.db2.gz BPTDXKHSJJYTIO-CYBMUJFWSA-N 2 1 251.399 2.109 20 0 CEADMP CCC1([NH3+])CC[NH+]([C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000903947970 635380840 /nfs/dbraw/zinc/38/08/40/635380840.db2.gz JWROSJMEEQKRCG-QLFBSQMISA-N 3 1 265.445 2.110 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C[C@H]1CC[NH3+] ZINC000903977539 635394940 /nfs/dbraw/zinc/39/49/40/635394940.db2.gz SIINRKICUDWTGQ-YRGRVCCFSA-N 2 1 295.452 2.411 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903963968 635397769 /nfs/dbraw/zinc/39/77/69/635397769.db2.gz BMSMRBRINXFRTO-HIFRSBDPSA-N 2 1 284.407 2.126 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000903963895 635397861 /nfs/dbraw/zinc/39/78/61/635397861.db2.gz IVOLOXAACMMSLH-MXSMSXNCSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000903965149 635399930 /nfs/dbraw/zinc/39/99/30/635399930.db2.gz XXBHBOKEXPVAJR-OCCSQVGLSA-N 2 1 270.380 2.022 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969295 635400840 /nfs/dbraw/zinc/40/08/40/635400840.db2.gz FEJSXGKWHLFXLM-CABCVRRESA-N 2 1 268.445 2.417 20 0 CEADMP C[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904305988 635557494 /nfs/dbraw/zinc/55/74/94/635557494.db2.gz XKVABDVNGHEOMB-OTVXOJSOSA-N 2 1 270.380 2.041 20 0 CEADMP Cc1ccccc1CN1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904307728 635558443 /nfs/dbraw/zinc/55/84/43/635558443.db2.gz VPOGSJNBOCQABF-MAEOIBBWSA-N 2 1 287.451 2.240 20 0 CEADMP COC(=O)c1ccc(C[N@H+](C)C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904312811 635559789 /nfs/dbraw/zinc/55/97/89/635559789.db2.gz UMMHDYJWZBDMNH-QGZVFWFLSA-N 2 1 290.407 2.295 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904312811 635559791 /nfs/dbraw/zinc/55/97/91/635559791.db2.gz UMMHDYJWZBDMNH-QGZVFWFLSA-N 2 1 290.407 2.295 20 0 CEADMP CC[N@@H+](CCc1nccs1)C[C@]1(C)CCC[NH2+]C1 ZINC000904325359 635572498 /nfs/dbraw/zinc/57/24/98/635572498.db2.gz XKZCHLKPUFUCLX-CQSZACIVSA-N 2 1 267.442 2.397 20 0 CEADMP C[C@H]1CN(c2ccccc2F)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343287 635581716 /nfs/dbraw/zinc/58/17/16/635581716.db2.gz SDPHKBRDIZZCBS-MELADBBJSA-N 2 1 277.387 2.074 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000904370839 635592606 /nfs/dbraw/zinc/59/26/06/635592606.db2.gz FLJFPYFLKODOIY-WFASDCNBSA-N 2 1 290.407 2.198 20 0 CEADMP CN(C[C@H]([NH3+])CCC(C)(C)C)C[C@H]1CCC[N@H+]1C ZINC000904372721 635593867 /nfs/dbraw/zinc/59/38/67/635593867.db2.gz HRYBGWLFIDIEAM-ZIAGYGMSSA-N 2 1 255.450 2.166 20 0 CEADMP CC[N@@H+](CCC[NH2+]C1CC(C[NH3+])C1)C1CCCCC1 ZINC000904376888 635601801 /nfs/dbraw/zinc/60/18/01/635601801.db2.gz YHFZKXGKCIMDRV-UHFFFAOYSA-N 3 1 267.461 2.358 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(C[C@@H]([NH3+])CCC(C)(C)C)CC[C@@H]21 ZINC000904385382 635606716 /nfs/dbraw/zinc/60/67/16/635606716.db2.gz XBKLCWVUMNCXNA-ILXRZTDVSA-N 2 1 267.461 2.166 20 0 CEADMP CC(C)c1cc([C@H]2CCC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)[nH]n1 ZINC000904384065 635606767 /nfs/dbraw/zinc/60/67/67/635606767.db2.gz HRTDQAUQISLPGJ-MELADBBJSA-N 2 1 276.428 2.450 20 0 CEADMP CC(C)c1cc([C@H]2CCC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n[nH]1 ZINC000904384065 635606772 /nfs/dbraw/zinc/60/67/72/635606772.db2.gz HRTDQAUQISLPGJ-MELADBBJSA-N 2 1 276.428 2.450 20 0 CEADMP CC(C)c1cc([C@H]2CCC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n[nH]1 ZINC000904384065 635606776 /nfs/dbraw/zinc/60/67/76/635606776.db2.gz HRTDQAUQISLPGJ-MELADBBJSA-N 2 1 276.428 2.450 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000904405625 635612207 /nfs/dbraw/zinc/61/22/07/635612207.db2.gz LLLJEKBBEGSATC-LBPRGKRZSA-N 2 1 288.370 2.387 20 0 CEADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405612 635612391 /nfs/dbraw/zinc/61/23/91/635612391.db2.gz KYAJTKXDSFHELG-LLVKDONJSA-N 2 1 292.814 2.397 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(O)ccc2Br)C1 ZINC000904406415 635613935 /nfs/dbraw/zinc/61/39/35/635613935.db2.gz SMFGJOVNFJEUCH-JTQLQIEISA-N 2 1 299.212 2.325 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nc3c(s2)CCC3)CC[C@H]1C[NH3+] ZINC000904412816 635620158 /nfs/dbraw/zinc/62/01/58/635620158.db2.gz ZOGLMYXSSMECEL-QWRGUYRKSA-N 2 1 265.426 2.049 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000904412940 635620286 /nfs/dbraw/zinc/62/02/86/635620286.db2.gz ZQOJAYQKWOEPBT-OCCSQVGLSA-N 2 1 278.396 2.121 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1C ZINC000904412263 635620470 /nfs/dbraw/zinc/62/04/70/635620470.db2.gz RCSHOKYUCCCJPQ-DZGCQCFKSA-N 2 1 262.397 2.420 20 0 CEADMP c1ccc2c(c1)ccnc2C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420780 635631364 /nfs/dbraw/zinc/63/13/64/635631364.db2.gz FDVWAFITXCXBMF-LSDHHAIUSA-N 2 1 267.376 2.276 20 0 CEADMP COc1cc2c(c(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)c1)O[C@H](C)C2 ZINC000904418246 635632006 /nfs/dbraw/zinc/63/20/06/635632006.db2.gz WQVYSBQJYMALII-LALPHHSUSA-N 2 1 290.407 2.045 20 0 CEADMP CC[C@@H](C)Oc1cc(C[NH2+]CC2([NH3+])CC2)ccc1OC ZINC000904450935 635642191 /nfs/dbraw/zinc/64/21/91/635642191.db2.gz UOHMKOCAKFCWDJ-GFCCVEGCSA-N 2 1 278.396 2.453 20 0 CEADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2C[NH3+])CC[N@H+]1C ZINC000904656104 635688297 /nfs/dbraw/zinc/68/82/97/635688297.db2.gz UQUWEGADYMBMCI-JSGCOSHPSA-N 2 1 290.411 2.092 20 0 CEADMP Nc1cc[nH+]cc1-c1ccc(CC[NH+]2CCOCC2)cc1 ZINC000904766895 635729124 /nfs/dbraw/zinc/72/91/24/635729124.db2.gz OTEWQWFEXCMQFD-UHFFFAOYSA-N 2 1 283.375 2.036 20 0 CEADMP Cc1cc(N2CCCC[C@]3(CC[NH2+]C3)C2)nc(C)[nH+]1 ZINC000905682222 636393306 /nfs/dbraw/zinc/39/33/06/636393306.db2.gz ZPJMZBOSWKAUME-OAHLLOKOSA-N 2 1 260.385 2.063 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@](O)(CC)C(F)(F)F)CC1 ZINC000905883950 636511512 /nfs/dbraw/zinc/51/15/12/636511512.db2.gz LTKKWBYYSWVULF-GFCCVEGCSA-N 2 1 282.350 2.154 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000906507826 636759009 /nfs/dbraw/zinc/75/90/09/636759009.db2.gz DXMZXEQPDTZNJT-MGCOHNPYSA-N 2 1 260.259 2.165 20 0 CEADMP C[C@H]1C[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1C ZINC000906789884 636852868 /nfs/dbraw/zinc/85/28/68/636852868.db2.gz HSJVAOSKZOGAKE-LSDHHAIUSA-N 2 1 295.471 2.192 20 0 CEADMP Cc1ccccc1C1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000829490768 636863992 /nfs/dbraw/zinc/86/39/92/636863992.db2.gz ZVCSYAAHNNQNMX-OAHLLOKOSA-N 2 1 274.408 2.030 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000906847564 636867133 /nfs/dbraw/zinc/86/71/33/636867133.db2.gz BCUGIFHWXAIKLK-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000907742782 637103902 /nfs/dbraw/zinc/10/39/02/637103902.db2.gz GVRXZKBSSBTSHH-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1ccc(C2([NH2+]C[C@H](O)C[NH+]3CCCC3)CCC2)cc1 ZINC000830825916 637170432 /nfs/dbraw/zinc/17/04/32/637170432.db2.gz SCQJPYGTPCBKGW-KRWDZBQOSA-N 2 1 288.435 2.421 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000834475237 637841625 /nfs/dbraw/zinc/84/16/25/637841625.db2.gz OFILHUSESNEVAY-HRCADAONSA-N 2 1 295.471 2.084 20 0 CEADMP CN(C(=O)[C@@H]1CC[N@H+]1C(C)(C)C)C(C)(C)C[NH+]1CCCC1 ZINC000910935226 638180379 /nfs/dbraw/zinc/18/03/79/638180379.db2.gz GXPYKRSPJNQQFR-AWEZNQCLSA-N 2 1 295.471 2.192 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)c1csc([C@@H](C)[NH3+])n1 ZINC000911683528 638355261 /nfs/dbraw/zinc/35/52/61/638355261.db2.gz ZERIJXRYSUBLHY-SECBINFHSA-N 2 1 290.392 2.135 20 0 CEADMP C[C@H]([NH3+])c1nc(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)cs1 ZINC000911846906 638442183 /nfs/dbraw/zinc/44/21/83/638442183.db2.gz PUUPBQNVYXZUIX-IUCAKERBSA-N 2 1 290.392 2.435 20 0 CEADMP C[C@@H]1[C@H](C(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)CC[N@H+]1C ZINC000912648336 638753339 /nfs/dbraw/zinc/75/33/39/638753339.db2.gz GLXLOGMHOUTFMR-LVQVYYBASA-N 2 1 295.471 2.048 20 0 CEADMP Cc1cc(NC[C@H](C)[N@H+]2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000045733654 639472596 /nfs/dbraw/zinc/47/25/96/639472596.db2.gz QPHHYGJZDBRHBG-ZDUSSCGKSA-N 2 1 297.406 2.226 20 0 CEADMP Cc1ncc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)s1 ZINC000057994536 639476182 /nfs/dbraw/zinc/47/61/82/639476182.db2.gz WHVUCOFWKJDUFA-NSHDSACASA-N 2 1 253.415 2.273 20 0 CEADMP Clc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cn1 ZINC000841043150 639630238 /nfs/dbraw/zinc/63/02/38/639630238.db2.gz RYRBBBZEEMHFAP-UHFFFAOYSA-N 2 1 290.798 2.400 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cnc3ccccc3c2)CC[NH2+]1 ZINC000841062973 639638286 /nfs/dbraw/zinc/63/82/86/639638286.db2.gz ZYKYUUSFPBBXQO-WFASDCNBSA-N 2 1 255.365 2.465 20 0 CEADMP CC[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991860249 639680871 /nfs/dbraw/zinc/68/08/71/639680871.db2.gz KEPWDPALDXSFQW-WBVHZDCISA-N 2 1 298.390 2.081 20 0 CEADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CC1(C)CCCC1 ZINC000876996396 650523970 /nfs/dbraw/zinc/52/39/70/650523970.db2.gz SIGLCRUZBPNWIB-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CC1(C)CCCC1 ZINC000876996396 650523971 /nfs/dbraw/zinc/52/39/71/650523971.db2.gz SIGLCRUZBPNWIB-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)C2CC2)CC1 ZINC000840744653 639973615 /nfs/dbraw/zinc/97/36/15/639973615.db2.gz HMPAKQUZXRQTFD-SFHVURJKSA-N 2 1 288.435 2.320 20 0 CEADMP S=C1SCCN1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000151820581 640087052 /nfs/dbraw/zinc/08/70/52/640087052.db2.gz SVSJSJOQVLLWQF-UHFFFAOYSA-N 2 1 299.509 2.085 20 0 CEADMP COCC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000842893061 640214136 /nfs/dbraw/zinc/21/41/36/640214136.db2.gz GYEWQEDWWKZXKQ-AGUYFDCRSA-N 2 1 252.402 2.018 20 0 CEADMP COc1cccc2cc(C[NH+]3CCC([NH3+])CC3)oc21 ZINC000843047364 640252335 /nfs/dbraw/zinc/25/23/35/640252335.db2.gz NAWBEPVQRDJQKX-UHFFFAOYSA-N 2 1 260.337 2.365 20 0 CEADMP COc1cc2c(cc1C[N@@H+](C)C1CCC([NH3+])CC1)OCO2 ZINC000843056091 640258141 /nfs/dbraw/zinc/25/81/41/640258141.db2.gz YSGXDQCIRIYTIU-UHFFFAOYSA-N 2 1 292.379 2.126 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@@H]21 ZINC000843059180 640261922 /nfs/dbraw/zinc/26/19/22/640261922.db2.gz FLSOLRLSYYTTCG-XOKHGSTOSA-N 2 1 272.392 2.276 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000843353265 640400772 /nfs/dbraw/zinc/40/07/72/640400772.db2.gz DVXXOUVEXNEUHL-GJZGRUSLSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000843353265 640400773 /nfs/dbraw/zinc/40/07/73/640400773.db2.gz DVXXOUVEXNEUHL-GJZGRUSLSA-N 2 1 295.471 2.275 20 0 CEADMP C[N@@H+](CC(=O)NCCC1CCCCC1)C1CCC([NH3+])CC1 ZINC000843355467 640401788 /nfs/dbraw/zinc/40/17/88/640401788.db2.gz QRNWXXUFRXOGAA-UHFFFAOYSA-N 2 1 295.471 2.275 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877137290 650590643 /nfs/dbraw/zinc/59/06/43/650590643.db2.gz UDOFTDDAGXZVLY-XHSDSOJGSA-N 2 1 287.407 2.314 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000844163284 640621577 /nfs/dbraw/zinc/62/15/77/640621577.db2.gz ZLQGHFRWESAGNU-LSDHHAIUSA-N 2 1 283.460 2.227 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH3+])c2)C[C@@H]1C ZINC000844186230 640626775 /nfs/dbraw/zinc/62/67/75/640626775.db2.gz WYDYNKYGADEJKJ-BBRMVZONSA-N 2 1 289.423 2.090 20 0 CEADMP CC(C)c1cnc(C[NH+]2CCC3(CC[NH2+]C3)CC2)o1 ZINC000844225235 640637657 /nfs/dbraw/zinc/63/76/57/640637657.db2.gz MCOJSXUIXPGNKV-UHFFFAOYSA-N 2 1 263.385 2.374 20 0 CEADMP Cc1nnsc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000844325793 640680191 /nfs/dbraw/zinc/68/01/91/640680191.db2.gz YOWOJFOKPKDSNS-UHFFFAOYSA-N 2 1 280.441 2.154 20 0 CEADMP O[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc2ccccc2c1 ZINC000916741487 640816865 /nfs/dbraw/zinc/81/68/65/640816865.db2.gz FAOSUJRJWCPKBB-FGTMMUONSA-N 2 1 282.387 2.024 20 0 CEADMP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994408791 640830679 /nfs/dbraw/zinc/83/06/79/640830679.db2.gz PEOBZRCPXOVNGX-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994408791 640830683 /nfs/dbraw/zinc/83/06/83/640830683.db2.gz PEOBZRCPXOVNGX-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP O[C@@H](C[N@H+](CC1CCCCC1)C1CC1)C[NH+]1CCCC1 ZINC000917017542 640837946 /nfs/dbraw/zinc/83/79/46/640837946.db2.gz VLLRGKHTPDTSES-QGZVFWFLSA-N 2 1 280.456 2.488 20 0 CEADMP O[C@@H](C[N@@H+](CC1CCCCC1)C1CC1)C[NH+]1CCCC1 ZINC000917017542 640837952 /nfs/dbraw/zinc/83/79/52/640837952.db2.gz VLLRGKHTPDTSES-QGZVFWFLSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@H+]1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CCC1(C)C ZINC000877206221 650627739 /nfs/dbraw/zinc/62/77/39/650627739.db2.gz DOYAHVFSMBTZAD-GJZGRUSLSA-N 2 1 295.471 2.227 20 0 CEADMP C[N@H+]1CCN(CC[NH+]2CCCC2)CC12CCCCC2 ZINC000846946848 641494264 /nfs/dbraw/zinc/49/42/64/641494264.db2.gz MQTSWDKAIBTKIQ-UHFFFAOYSA-N 2 1 265.445 2.033 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnc(Cl)n1C)C[NH+]1CCCCC1 ZINC000848530363 642036118 /nfs/dbraw/zinc/03/61/18/642036118.db2.gz FCNSTLAJVRJWHP-LBPRGKRZSA-N 2 1 284.835 2.285 20 0 CEADMP CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1(C)C ZINC000995872324 642080035 /nfs/dbraw/zinc/08/00/35/642080035.db2.gz NJZSLIBWIRYRKV-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996668091 642125461 /nfs/dbraw/zinc/12/54/61/642125461.db2.gz HYLXOYZSSZFJOD-INIZCTEOSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)CCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000848987089 642209700 /nfs/dbraw/zinc/20/97/00/642209700.db2.gz HTOVSVUESUEMPQ-UONOGXRCSA-N 2 1 268.449 2.409 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921536921 642213905 /nfs/dbraw/zinc/21/39/05/642213905.db2.gz LLDNYQFEEJVUDY-HUUCEWRRSA-N 2 1 296.434 2.310 20 0 CEADMP CC(C)CCC[C@H](C)NC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000848997579 642216655 /nfs/dbraw/zinc/21/66/55/642216655.db2.gz RGFQARXTJGYZKK-ZDUSSCGKSA-N 2 1 268.449 2.409 20 0 CEADMP CC(C)CCC[C@H](C)NC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000848997579 642216661 /nfs/dbraw/zinc/21/66/61/642216661.db2.gz RGFQARXTJGYZKK-ZDUSSCGKSA-N 2 1 268.449 2.409 20 0 CEADMP CCC[N@@H+](CC)CCNC(=[NH2+])NCCc1cccs1 ZINC000849004312 642220790 /nfs/dbraw/zinc/22/07/90/642220790.db2.gz JFTYOBFPYGDTMC-UHFFFAOYSA-N 2 1 282.457 2.136 20 0 CEADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000849004649 642222242 /nfs/dbraw/zinc/22/22/42/642222242.db2.gz SRYWVJBCUAJHQD-SNVBAGLBSA-N 2 1 282.338 2.243 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1cccs1 ZINC000849015487 642231672 /nfs/dbraw/zinc/23/16/72/642231672.db2.gz UVQBKYUDVSGDIT-CYBMUJFWSA-N 2 1 294.468 2.279 20 0 CEADMP CC[C@H](C)NC(=[NH2+])NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000849024085 642237593 /nfs/dbraw/zinc/23/75/93/642237593.db2.gz QCAXCTJRNSANLF-NWDGAFQWSA-N 2 1 254.422 2.019 20 0 CEADMP COc1ccc(NC(=[NH2+])NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000849041132 642251166 /nfs/dbraw/zinc/25/11/66/642251166.db2.gz LAUVYGMKVUHBDP-ZDUSSCGKSA-N 2 1 290.411 2.363 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)CC(F)(F)F ZINC000849042365 642252664 /nfs/dbraw/zinc/25/26/64/642252664.db2.gz KONITNZJNLSFPS-WDEREUQCSA-N 2 1 294.365 2.173 20 0 CEADMP CCN(CC)C(=[NH2+])NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000849045814 642255046 /nfs/dbraw/zinc/25/50/46/642255046.db2.gz HWBDFHGDLDEAQN-CVEARBPZSA-N 2 1 288.439 2.198 20 0 CEADMP CCC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999350888 642482631 /nfs/dbraw/zinc/48/26/31/642482631.db2.gz CIBPGIPXXYHRED-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(C)C)C1 ZINC000999877100 642519268 /nfs/dbraw/zinc/51/92/68/642519268.db2.gz ZBVNIWFEYCQGGU-GPANFISMSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CO1 ZINC000850038068 642549466 /nfs/dbraw/zinc/54/94/66/642549466.db2.gz KGSGWSFQAJPKSD-GJZGRUSLSA-N 2 1 286.379 2.233 20 0 CEADMP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000374698 642595301 /nfs/dbraw/zinc/59/53/01/642595301.db2.gz XFLMDHSAEYIUQD-HOTGVXAUSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000877532324 650771546 /nfs/dbraw/zinc/77/15/46/650771546.db2.gz VDAQHEZDHBJPFD-OUAUKWLOSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000877532324 650771549 /nfs/dbraw/zinc/77/15/49/650771549.db2.gz VDAQHEZDHBJPFD-OUAUKWLOSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C[C@@H]1CC1(Cl)Cl ZINC000877532324 650771551 /nfs/dbraw/zinc/77/15/51/650771551.db2.gz VDAQHEZDHBJPFD-OUAUKWLOSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C[C@@H]1CC1(Cl)Cl ZINC000877532324 650771553 /nfs/dbraw/zinc/77/15/53/650771553.db2.gz VDAQHEZDHBJPFD-OUAUKWLOSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000877532324 650771555 /nfs/dbraw/zinc/77/15/55/650771555.db2.gz VDAQHEZDHBJPFD-OUAUKWLOSA-N 2 1 265.228 2.452 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000877532324 650771561 /nfs/dbraw/zinc/77/15/61/650771561.db2.gz VDAQHEZDHBJPFD-OUAUKWLOSA-N 2 1 265.228 2.452 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000850440064 642714625 /nfs/dbraw/zinc/71/46/25/642714625.db2.gz VWFINBMYLDVKBJ-INIZCTEOSA-N 2 1 296.455 2.177 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850509438 642735308 /nfs/dbraw/zinc/73/53/08/642735308.db2.gz QDDOCONTAXZLIF-COXVUDFISA-N 2 1 274.408 2.141 20 0 CEADMP CC(C)(C[NH2+]Cc1cnn(CCF)c1)C[NH+]1CCCC1 ZINC000922054080 642857575 /nfs/dbraw/zinc/85/75/75/642857575.db2.gz XTLIJRLTBYAGSB-UHFFFAOYSA-N 2 1 282.407 2.064 20 0 CEADMP CC(C)=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001003158937 642918996 /nfs/dbraw/zinc/91/89/96/642918996.db2.gz KDXOHDHTBKMWRO-MRXNPFEDSA-N 2 1 293.455 2.018 20 0 CEADMP C[C@H](CC[NH2+]Cc1cnn(C2CCC2)c1)[NH+](C)C ZINC000922255647 642985820 /nfs/dbraw/zinc/98/58/20/642985820.db2.gz VXRBYDUYKMWUIG-GFCCVEGCSA-N 2 1 250.390 2.038 20 0 CEADMP CCC[C@H](C)C[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922385746 643057284 /nfs/dbraw/zinc/05/72/84/643057284.db2.gz AJIXCRJKCZNHPZ-BIVLZKPYSA-N 2 1 282.472 2.492 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851799577 643169534 /nfs/dbraw/zinc/16/95/34/643169534.db2.gz ZYGQFUUQEUWMPE-LSDHHAIUSA-N 2 1 284.444 2.192 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851799577 643169538 /nfs/dbraw/zinc/16/95/38/643169538.db2.gz ZYGQFUUQEUWMPE-LSDHHAIUSA-N 2 1 284.444 2.192 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851799577 643169542 /nfs/dbraw/zinc/16/95/42/643169542.db2.gz ZYGQFUUQEUWMPE-LSDHHAIUSA-N 2 1 284.444 2.192 20 0 CEADMP C[NH+](C)CC[C@H](NCc1c[nH+]c2n1CCC2)c1cccnc1 ZINC000922634050 643173006 /nfs/dbraw/zinc/17/30/06/643173006.db2.gz WNFCYUYLTABJEA-INIZCTEOSA-N 2 1 299.422 2.007 20 0 CEADMP C([C@H]1CCC2(CCCCCC2)O1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929312864 643209424 /nfs/dbraw/zinc/20/94/24/643209424.db2.gz NOEQNACDTJORNY-OWCLPIDISA-N 2 1 278.440 2.410 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1COC(C)(C)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000851925752 643226918 /nfs/dbraw/zinc/22/69/18/643226918.db2.gz AEFAZKSPRVKZAI-SQWLQELKSA-N 2 1 296.455 2.381 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1COC(C)(C)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000851925751 643227243 /nfs/dbraw/zinc/22/72/43/643227243.db2.gz AEFAZKSPRVKZAI-OFQRWUPVSA-N 2 1 296.455 2.381 20 0 CEADMP CCO[C@H](C[NH2+]C[C@@H](C)c1ccc(OC)cc1)C[NH+](C)C ZINC000922758937 643249320 /nfs/dbraw/zinc/24/93/20/643249320.db2.gz YTXHBAJQPYZZNI-RHSMWYFYSA-N 2 1 294.439 2.355 20 0 CEADMP CSC(C)(C)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000877640637 650829493 /nfs/dbraw/zinc/82/94/93/650829493.db2.gz QNNWDJOOCWGASZ-AWEZNQCLSA-N 2 1 286.485 2.049 20 0 CEADMP CC[C@@](C)(C[N@@H+](CCOC)CC1CC[NH+](C)CC1)OC ZINC000877664215 650839579 /nfs/dbraw/zinc/83/95/79/650839579.db2.gz KCALUHMOJYDXGH-INIZCTEOSA-N 2 1 286.460 2.092 20 0 CEADMP Oc1cc(F)c(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000922976935 643491929 /nfs/dbraw/zinc/49/19/29/643491929.db2.gz SCXKYLQLNKZJGA-NWDGAFQWSA-N 2 1 296.361 2.429 20 0 CEADMP Oc1cc(F)c(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000922976937 643492675 /nfs/dbraw/zinc/49/26/75/643492675.db2.gz SCXKYLQLNKZJGA-VXGBXAGGSA-N 2 1 296.361 2.429 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000852711620 643520755 /nfs/dbraw/zinc/52/07/55/643520755.db2.gz HBWGRVNQGGUWGY-SJORKVTESA-N 2 1 280.456 2.488 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000852711620 643520762 /nfs/dbraw/zinc/52/07/62/643520762.db2.gz HBWGRVNQGGUWGY-SJORKVTESA-N 2 1 280.456 2.488 20 0 CEADMP OCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CCCC1 ZINC000852745079 643530750 /nfs/dbraw/zinc/53/07/50/643530750.db2.gz OJNZCGQONPCWFA-UHFFFAOYSA-N 2 1 274.408 2.069 20 0 CEADMP CC1(C)C[C@@]1([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000852771107 643544634 /nfs/dbraw/zinc/54/46/34/643544634.db2.gz BMMAEDMELXEIJC-FUHWJXTLSA-N 2 1 288.435 2.358 20 0 CEADMP CCCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001005992997 643615018 /nfs/dbraw/zinc/61/50/18/643615018.db2.gz XGOYYAPQJOOLSH-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC1SCCS1 ZINC000853022967 643624472 /nfs/dbraw/zinc/62/44/72/643624472.db2.gz JDPRNBLEFWMMJO-FOGDFJRCSA-N 2 1 260.472 2.159 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCC1SCCS1)C2 ZINC000853022913 643624735 /nfs/dbraw/zinc/62/47/35/643624735.db2.gz HNYQWENXZSSPOT-AAEUAGOBSA-N 2 1 272.483 2.243 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000923290161 643643348 /nfs/dbraw/zinc/64/33/48/643643348.db2.gz UULCEIKIGYXWNV-USXIJHARSA-N 2 1 276.424 2.039 20 0 CEADMP c1cc([C@H]2CCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)cs1 ZINC000923303352 643650568 /nfs/dbraw/zinc/65/05/68/643650568.db2.gz CJBNEXPPJBIFNV-UONOGXRCSA-N 2 1 278.421 2.264 20 0 CEADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC2(C1)CCCCC2 ZINC000923313963 643653375 /nfs/dbraw/zinc/65/33/75/643653375.db2.gz NXEGFXRROKHRLZ-CQSZACIVSA-N 2 1 264.413 2.021 20 0 CEADMP Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923315122 643654205 /nfs/dbraw/zinc/65/42/05/643654205.db2.gz FSSFTDHEZSXNNX-WBVHZDCISA-N 2 1 288.435 2.236 20 0 CEADMP OCC[N@@H+](CCC[NH2+]C1CC1)[C@@H]1CCc2ccccc21 ZINC000923315910 643654590 /nfs/dbraw/zinc/65/45/90/643654590.db2.gz NTQUCVPXPYNWCS-QGZVFWFLSA-N 2 1 274.408 2.110 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316681 643656057 /nfs/dbraw/zinc/65/60/57/643656057.db2.gz QZUNVVBPODCXBA-KKUMJFAQSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCCCCCC1 ZINC000923310003 643658249 /nfs/dbraw/zinc/65/82/49/643658249.db2.gz AXGOIORBMMETDO-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP [NH3+]C1(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CCC1 ZINC000923330954 643661523 /nfs/dbraw/zinc/66/15/23/643661523.db2.gz DUUDFSULCZNHPP-GFCCVEGCSA-N 2 1 289.206 2.498 20 0 CEADMP C[N@H+](C[C@H](O)c1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923326980 643664383 /nfs/dbraw/zinc/66/43/83/643664383.db2.gz ALBATVDQPSOWHH-GYVWXKFASA-N 2 1 296.361 2.213 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923326980 643664386 /nfs/dbraw/zinc/66/43/86/643664386.db2.gz ALBATVDQPSOWHH-GYVWXKFASA-N 2 1 296.361 2.213 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)c(F)c3)C[C@@H]21 ZINC000923335052 643667385 /nfs/dbraw/zinc/66/73/85/643667385.db2.gz ZYZFUQOQGLUGIH-NOXHYTERSA-N 2 1 296.361 2.057 20 0 CEADMP CC[N@@H+](C[C@H](O)CCC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000923337369 643668972 /nfs/dbraw/zinc/66/89/72/643668972.db2.gz YTXNDGZHYZAVRB-HUUCEWRRSA-N 2 1 256.434 2.248 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H](O)CCc3ccccc3)C[C@@H]21 ZINC000923331664 643671635 /nfs/dbraw/zinc/67/16/35/643671635.db2.gz HTTDXJVBNJIRGL-VSZNYVQBSA-N 2 1 288.435 2.039 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000923348513 643672491 /nfs/dbraw/zinc/67/24/91/643672491.db2.gz HBIWIHSPRLPMKW-IBGZPJMESA-N 2 1 298.430 2.441 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000923348970 643672676 /nfs/dbraw/zinc/67/26/76/643672676.db2.gz MHJHPZNNQBQZHT-HOCLYGCPSA-N 2 1 262.397 2.089 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000923354948 643678235 /nfs/dbraw/zinc/67/82/35/643678235.db2.gz XLJITHYYHOIQSK-HUUCEWRRSA-N 2 1 266.360 2.062 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)C1CCCCC1 ZINC000923375228 643685317 /nfs/dbraw/zinc/68/53/17/643685317.db2.gz ZSYIEUPRZYUXAM-SJORKVTESA-N 2 1 276.424 2.087 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)C1CCCCC1 ZINC000923374514 643685450 /nfs/dbraw/zinc/68/54/50/643685450.db2.gz UCJFFHXOARGTMF-HOTGVXAUSA-N 2 1 298.377 2.495 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@@H](O)CC1CCCC1)C1CCCCC1 ZINC000923374392 643685466 /nfs/dbraw/zinc/68/54/66/643685466.db2.gz STQDREIWENMADH-JKSUJKDBSA-N 2 1 268.445 2.425 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@@H](O)c1ccccc1)CC[NH2+]CC2 ZINC000923382147 643688601 /nfs/dbraw/zinc/68/86/01/643688601.db2.gz AKRSMWQDGUCJLO-GOEBONIOSA-N 2 1 274.408 2.184 20 0 CEADMP CCCCC[C@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923387182 643692778 /nfs/dbraw/zinc/69/27/78/643692778.db2.gz GYSAJXGAKAXNJG-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H](O)c1ccc(F)cc1F)C2 ZINC000923388548 643693703 /nfs/dbraw/zinc/69/37/03/643693703.db2.gz PGOFGJQASLIIMV-UVBJJODRSA-N 2 1 296.361 2.059 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)c1ccc(F)cc1F)C2 ZINC000923388548 643693709 /nfs/dbraw/zinc/69/37/09/643693709.db2.gz PGOFGJQASLIIMV-UVBJJODRSA-N 2 1 296.361 2.059 20 0 CEADMP CCC1(CC)CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923389236 643693803 /nfs/dbraw/zinc/69/38/03/643693803.db2.gz NEMKESXYRKHZLA-CQSZACIVSA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)c1ccc(F)cc1F)C2 ZINC000923388550 643693988 /nfs/dbraw/zinc/69/39/88/643693988.db2.gz PGOFGJQASLIIMV-XZJROXQQSA-N 2 1 296.361 2.059 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)c1ccc(F)cc1F)C2 ZINC000923388550 643693991 /nfs/dbraw/zinc/69/39/91/643693991.db2.gz PGOFGJQASLIIMV-XZJROXQQSA-N 2 1 296.361 2.059 20 0 CEADMP CC[C@H](O)C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000923426195 643704845 /nfs/dbraw/zinc/70/48/45/643704845.db2.gz NUPJOANVAKYQIK-BPUTZDHNSA-N 2 1 268.445 2.377 20 0 CEADMP c1ccc([C@]23COC[C@H]2C[N@H+](CCC[NH2+]C2CC2)C3)cc1 ZINC000923428841 643707562 /nfs/dbraw/zinc/70/75/62/643707562.db2.gz LETLSESODJMHKH-AEFFLSMTSA-N 2 1 286.419 2.029 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2coc(C(C)(C)C)n2)C[C@H]1CC[NH3+] ZINC000923428524 643707581 /nfs/dbraw/zinc/70/75/81/643707581.db2.gz IHOGVLSDTGDMPL-VXGBXAGGSA-N 2 1 265.401 2.389 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000923487459 643729695 /nfs/dbraw/zinc/72/96/95/643729695.db2.gz LUYULQGVRUVSAL-LSDHHAIUSA-N 2 1 289.423 2.301 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3c2CCOC3)CC[C@@H]1C[NH3+] ZINC000923489310 643734962 /nfs/dbraw/zinc/73/49/62/643734962.db2.gz ILXRRAMONULMGT-UONOGXRCSA-N 2 1 274.408 2.176 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000923490011 643735173 /nfs/dbraw/zinc/73/51/73/643735173.db2.gz GUQBRMHNEMGQDL-NSHDSACASA-N 2 1 270.323 2.459 20 0 CEADMP CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000923489862 643735399 /nfs/dbraw/zinc/73/53/99/643735399.db2.gz YWYUYTBRTNUEIX-CQSZACIVSA-N 2 1 289.423 2.419 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)CC[C@@H]1C[NH3+] ZINC000923494041 643738771 /nfs/dbraw/zinc/73/87/71/643738771.db2.gz KEEYLBFPNAAKBL-TZMCWYRMSA-N 2 1 264.417 2.055 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nccn2Cc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923500344 643740857 /nfs/dbraw/zinc/74/08/57/643740857.db2.gz WUQIWNNKKODGFA-DOTOQJQBSA-N 2 1 298.434 2.348 20 0 CEADMP C[C@H]1C[N@H+](CC(=O)Nc2ccccc2Cl)CC[C@H]1C[NH3+] ZINC000923510361 643746396 /nfs/dbraw/zinc/74/63/96/643746396.db2.gz SOCPGAGCOUOIRN-RYUDHWBXSA-N 2 1 295.814 2.195 20 0 CEADMP C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2Cl)CC[C@H]1C[NH3+] ZINC000923510361 643746399 /nfs/dbraw/zinc/74/63/99/643746399.db2.gz SOCPGAGCOUOIRN-RYUDHWBXSA-N 2 1 295.814 2.195 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1C ZINC000877739609 650882557 /nfs/dbraw/zinc/88/25/57/650882557.db2.gz OWLRXJOSYWGVSB-GDBMZVCRSA-N 2 1 289.423 2.233 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1C ZINC000877739609 650882559 /nfs/dbraw/zinc/88/25/59/650882559.db2.gz OWLRXJOSYWGVSB-GDBMZVCRSA-N 2 1 289.423 2.233 20 0 CEADMP Cn1cnc2cc(C[N@@H+]3CC[C@H]4[C@@H](CC[NH+]4C)C3)ccc21 ZINC000877740643 650883687 /nfs/dbraw/zinc/88/36/87/650883687.db2.gz KUYSLFWIFLTJSM-HOCLYGCPSA-N 2 1 284.407 2.099 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CC[C@H]4[C@@H](CC[NH+]4C)C3)ccc21 ZINC000877740643 650883691 /nfs/dbraw/zinc/88/36/91/650883691.db2.gz KUYSLFWIFLTJSM-HOCLYGCPSA-N 2 1 284.407 2.099 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)ccc21 ZINC000877740643 650883694 /nfs/dbraw/zinc/88/36/94/650883694.db2.gz KUYSLFWIFLTJSM-HOCLYGCPSA-N 2 1 284.407 2.099 20 0 CEADMP Cn1cnc2cc(C[NH+]3CC[C@H]4[C@@H](CC[N@H+]4C)C3)ccc21 ZINC000877740643 650883698 /nfs/dbraw/zinc/88/36/98/650883698.db2.gz KUYSLFWIFLTJSM-HOCLYGCPSA-N 2 1 284.407 2.099 20 0 CEADMP COCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877742965 650886785 /nfs/dbraw/zinc/88/67/85/650886785.db2.gz HRJIVAKNVWXYIJ-IAGOWNOFSA-N 2 1 274.408 2.359 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877742965 650886786 /nfs/dbraw/zinc/88/67/86/650886786.db2.gz HRJIVAKNVWXYIJ-IAGOWNOFSA-N 2 1 274.408 2.359 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877742965 650886788 /nfs/dbraw/zinc/88/67/88/650886788.db2.gz HRJIVAKNVWXYIJ-IAGOWNOFSA-N 2 1 274.408 2.359 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877742965 650886789 /nfs/dbraw/zinc/88/67/89/650886789.db2.gz HRJIVAKNVWXYIJ-IAGOWNOFSA-N 2 1 274.408 2.359 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925488242 644049302 /nfs/dbraw/zinc/04/93/02/644049302.db2.gz IRKHRVQYMJPLTQ-SJORKVTESA-N 3 1 281.488 2.476 20 0 CEADMP c1ccc(NCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000838970508 644101603 /nfs/dbraw/zinc/10/16/03/644101603.db2.gz WGLACXJJWWEXSI-UHFFFAOYSA-N 2 1 259.397 2.315 20 0 CEADMP C[N@H+](CC1CC[NH+](C)CC1)Cn1ccc(C(F)(F)F)n1 ZINC000103461835 644236658 /nfs/dbraw/zinc/23/66/58/644236658.db2.gz YKKGUFKPKWETFV-UHFFFAOYSA-N 2 1 290.333 2.133 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1ccc(C(F)(F)F)n1 ZINC000103461835 644236662 /nfs/dbraw/zinc/23/66/62/644236662.db2.gz YKKGUFKPKWETFV-UHFFFAOYSA-N 2 1 290.333 2.133 20 0 CEADMP C[C@@H](C[NH2+]Cc1ccnc(F)c1)C[NH+]1CCCCC1 ZINC000858101096 645061625 /nfs/dbraw/zinc/06/16/25/645061625.db2.gz YYAFLCOVTIWTOF-ZDUSSCGKSA-N 2 1 265.376 2.432 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@H]2CCCOC2)s1 ZINC000858206438 645087209 /nfs/dbraw/zinc/08/72/09/645087209.db2.gz JKLCXAFXGUSFNW-GFCCVEGCSA-N 2 1 283.441 2.111 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858245799 645097928 /nfs/dbraw/zinc/09/79/28/645097928.db2.gz OBJBWWRSSAXLOW-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000858245799 645097931 /nfs/dbraw/zinc/09/79/31/645097931.db2.gz OBJBWWRSSAXLOW-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000878056138 650985903 /nfs/dbraw/zinc/98/59/03/650985903.db2.gz BPOSAMVGVFEWJZ-KGLIPLIRSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)n(C)n1 ZINC000858490857 645179793 /nfs/dbraw/zinc/17/97/93/645179793.db2.gz QUOARTLVXATWNI-UONOGXRCSA-N 2 1 264.417 2.111 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)n(C)n1 ZINC000858490857 645179797 /nfs/dbraw/zinc/17/97/97/645179797.db2.gz QUOARTLVXATWNI-UONOGXRCSA-N 2 1 264.417 2.111 20 0 CEADMP C([C@H]1CC[N@@H+](C[C@H]2C[C@H]3CCC[C@@H]3O2)C1)[NH+]1CCCC1 ZINC000878125055 651008039 /nfs/dbraw/zinc/00/80/39/651008039.db2.gz MESWIYLUBNBBEI-VQHPVUNQSA-N 2 1 278.440 2.362 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CC2CC(OC)C2)CC1 ZINC000859154572 645390949 /nfs/dbraw/zinc/39/09/49/645390949.db2.gz DUEJKVLHJFUZIT-UHFFFAOYSA-N 2 1 254.418 2.218 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000762790050 645451131 /nfs/dbraw/zinc/45/11/31/645451131.db2.gz WOSLAROCGACVEL-WMLDXEAASA-N 2 1 292.423 2.029 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC000762790050 645451135 /nfs/dbraw/zinc/45/11/35/645451135.db2.gz WOSLAROCGACVEL-WMLDXEAASA-N 2 1 292.423 2.029 20 0 CEADMP Cc1conc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000878155124 651016292 /nfs/dbraw/zinc/01/62/92/651016292.db2.gz KWRRUDLXKUVRGT-UHFFFAOYSA-N 2 1 293.411 2.060 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H](O)C(C)C)C[C@@H]1C ZINC000878163541 651020020 /nfs/dbraw/zinc/02/00/20/651020020.db2.gz SVYQCUUYYXFWNE-SOUVJXGZSA-N 2 1 256.434 2.198 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H](O)C(C)C)C[C@@H]1C ZINC000878163541 651020021 /nfs/dbraw/zinc/02/00/21/651020021.db2.gz SVYQCUUYYXFWNE-SOUVJXGZSA-N 2 1 256.434 2.198 20 0 CEADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000860180353 645728624 /nfs/dbraw/zinc/72/86/24/645728624.db2.gz QXVPLFYGENSQCA-INQOVCNISA-N 2 1 266.429 2.121 20 0 CEADMP COCCC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765973732 645829895 /nfs/dbraw/zinc/82/98/95/645829895.db2.gz DVUWXWJWIDNFHA-HOCLYGCPSA-N 2 1 284.444 2.035 20 0 CEADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1(C)C ZINC000766860795 645931109 /nfs/dbraw/zinc/93/11/09/645931109.db2.gz CFCDAQGROVTYFR-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1(C)C ZINC000766860795 645931111 /nfs/dbraw/zinc/93/11/11/645931111.db2.gz CFCDAQGROVTYFR-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](C)CC1(C)C ZINC000766860795 645931114 /nfs/dbraw/zinc/93/11/14/645931114.db2.gz CFCDAQGROVTYFR-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](C)CC1(C)C ZINC000766860795 645931117 /nfs/dbraw/zinc/93/11/17/645931117.db2.gz CFCDAQGROVTYFR-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000773139856 646709407 /nfs/dbraw/zinc/70/94/07/646709407.db2.gz UIZWRKHGALSOMH-AGIUHOORSA-N 2 1 272.483 2.050 20 0 CEADMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000863542383 646752099 /nfs/dbraw/zinc/75/20/99/646752099.db2.gz QGGQVEQIMFXVDG-NDBYEHHHSA-N 2 1 284.494 2.240 20 0 CEADMP C[C@H]1CC2(C[N@@H+]1Cc1cc(Cl)n(C)n1)CC[NH2+]CC2 ZINC000863547568 646753794 /nfs/dbraw/zinc/75/37/94/646753794.db2.gz PWNGSPVIDPXSJG-NSHDSACASA-N 2 1 282.819 2.038 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)n(C)n1)CC[NH2+]CC2 ZINC000863547568 646753798 /nfs/dbraw/zinc/75/37/98/646753798.db2.gz PWNGSPVIDPXSJG-NSHDSACASA-N 2 1 282.819 2.038 20 0 CEADMP C[NH+](C)Cc1cccc(NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC000863857648 646836750 /nfs/dbraw/zinc/83/67/50/646836750.db2.gz ABQUEEKAASTLNA-UHFFFAOYSA-N 2 1 275.396 2.171 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H](NCc2cccc3c2CC[NH2+]C3)C1 ZINC000864054754 646873280 /nfs/dbraw/zinc/87/32/80/646873280.db2.gz AGYUBLKHECWDQP-MRXNPFEDSA-N 2 1 287.451 2.200 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])N[C@H]2C[C@@H]2C)c1 ZINC000864456982 647011632 /nfs/dbraw/zinc/01/16/32/647011632.db2.gz OLMKCSSXUGRMLZ-WFASDCNBSA-N 2 1 274.412 2.161 20 0 CEADMP COc1cncc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1C ZINC000865483203 647319315 /nfs/dbraw/zinc/31/93/15/647319315.db2.gz GMRDBVKXDFANCO-CABCVRRESA-N 2 1 277.412 2.361 20 0 CEADMP Cc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)o1 ZINC000120791005 647513518 /nfs/dbraw/zinc/51/35/18/647513518.db2.gz URXMLMRLQVRANH-HNNXBMFYSA-N 2 1 292.423 2.487 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000782183335 647597228 /nfs/dbraw/zinc/59/72/28/647597228.db2.gz KEYCQUYZCUONEE-HOCLYGCPSA-N 3 1 267.461 2.133 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000782183335 647597232 /nfs/dbraw/zinc/59/72/32/647597232.db2.gz KEYCQUYZCUONEE-HOCLYGCPSA-N 3 1 267.461 2.133 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000782183335 647597237 /nfs/dbraw/zinc/59/72/37/647597237.db2.gz KEYCQUYZCUONEE-HOCLYGCPSA-N 3 1 267.461 2.133 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000782183335 647597250 /nfs/dbraw/zinc/59/72/50/647597250.db2.gz KEYCQUYZCUONEE-HOCLYGCPSA-N 2 1 267.461 2.133 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000782183335 647597254 /nfs/dbraw/zinc/59/72/54/647597254.db2.gz KEYCQUYZCUONEE-HOCLYGCPSA-N 2 1 267.461 2.133 20 0 CEADMP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]cc3Cl)CC[C@H]21 ZINC000866207165 647671059 /nfs/dbraw/zinc/67/10/59/647671059.db2.gz VPASLSCRYPWHAI-CMPLNLGQSA-N 2 1 251.761 2.265 20 0 CEADMP C[N@H+]1CC[C@H]2CN(c3cc[nH+]cc3Cl)CC[C@H]21 ZINC000866207165 647671063 /nfs/dbraw/zinc/67/10/63/647671063.db2.gz VPASLSCRYPWHAI-CMPLNLGQSA-N 2 1 251.761 2.265 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCc2cccc3cccc1c32 ZINC000866263055 647703312 /nfs/dbraw/zinc/70/33/12/647703312.db2.gz LVKYSBGHSFGTMR-NVXWUHKLSA-N 2 1 284.403 2.339 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2c3ccccc3CN2C)CC[N@H+]1C ZINC000866563536 647825905 /nfs/dbraw/zinc/82/59/05/647825905.db2.gz NEOMFYZRJYMEAT-FRFSOERESA-N 2 1 273.424 2.245 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCc2cn(C)c3ncccc23)CC[N@H+]1C ZINC000866570411 647829140 /nfs/dbraw/zinc/82/91/40/647829140.db2.gz GUKAACWONMQIIM-HIFRSBDPSA-N 2 1 286.423 2.188 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc1Cl ZINC000866666073 647861451 /nfs/dbraw/zinc/86/14/51/647861451.db2.gz MIERTDKMQQEUSJ-BETUJISGSA-N 2 1 279.815 2.475 20 0 CEADMP CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709433 647878112 /nfs/dbraw/zinc/87/81/12/647878112.db2.gz XNNYOAAGZKWOOD-XJKSGUPXSA-N 2 1 284.444 2.415 20 0 CEADMP CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709433 647878116 /nfs/dbraw/zinc/87/81/16/647878116.db2.gz XNNYOAAGZKWOOD-XJKSGUPXSA-N 2 1 284.444 2.415 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000866707999 647878483 /nfs/dbraw/zinc/87/84/83/647878483.db2.gz KWJRTBFEYNLIAD-DZGCQCFKSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)c1[nH+]ccn1CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000786157505 647989288 /nfs/dbraw/zinc/98/92/88/647989288.db2.gz VEBAPMAHHIHMER-UHFFFAOYSA-N 2 1 297.362 2.084 20 0 CEADMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@@H]1n1ccnc1 ZINC000788484630 648193200 /nfs/dbraw/zinc/19/32/00/648193200.db2.gz CKPFDKPISGFAHE-HOCLYGCPSA-N 2 1 276.428 2.108 20 0 CEADMP COC(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)OC ZINC000789356330 648292368 /nfs/dbraw/zinc/29/23/68/648292368.db2.gz HULGBJLGIMYKAX-UHFFFAOYSA-N 2 1 293.411 2.018 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000792976370 648694126 /nfs/dbraw/zinc/69/41/26/648694126.db2.gz CDZMIEAEUJBVJO-ZACQAIPSSA-N 2 1 296.455 2.177 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)n(C)n1 ZINC000793523950 648769244 /nfs/dbraw/zinc/76/92/44/648769244.db2.gz QVEIRWYJQBQIBK-CYBMUJFWSA-N 2 1 276.428 2.254 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)n(C)n1 ZINC000793523229 648769409 /nfs/dbraw/zinc/76/94/09/648769409.db2.gz DKECJJYOEQVHAU-WCQYABFASA-N 2 1 275.400 2.220 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000870872697 648939628 /nfs/dbraw/zinc/93/96/28/648939628.db2.gz GYOOBYWCMOAKES-RBSFLKMASA-N 2 1 295.471 2.131 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cn1 ZINC000870918820 648953297 /nfs/dbraw/zinc/95/32/97/648953297.db2.gz QLWOSJJGMLVYGT-BETUJISGSA-N 2 1 299.378 2.032 20 0 CEADMP CO[C@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCC1 ZINC000871784334 649184658 /nfs/dbraw/zinc/18/46/58/649184658.db2.gz APNPCFUUSDVBDN-JALIKCBVSA-N 2 1 295.427 2.173 20 0 CEADMP CO[C@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCC1 ZINC000871784334 649184659 /nfs/dbraw/zinc/18/46/59/649184659.db2.gz APNPCFUUSDVBDN-JALIKCBVSA-N 2 1 295.427 2.173 20 0 CEADMP C[C@H]1CC[NH2+][C@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C1 ZINC000871796766 649189290 /nfs/dbraw/zinc/18/92/90/649189290.db2.gz KSEWWBVZWJZCKC-ZZIFITQXSA-N 2 1 276.384 2.128 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)[C@H]1CCCOC1 ZINC000872025878 649244345 /nfs/dbraw/zinc/24/43/45/649244345.db2.gz VHNDBUJGLADYBX-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)COC)[C@@H](C)C1 ZINC000872105477 649278220 /nfs/dbraw/zinc/27/82/20/649278220.db2.gz JBELQYULRFHFHN-KBPBESRZSA-N 2 1 256.434 2.369 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1(C)C ZINC000872108512 649280064 /nfs/dbraw/zinc/28/00/64/649280064.db2.gz VAZMRDWSKMPRFT-CBBWQLFWSA-N 2 1 266.429 2.406 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000872141535 649290348 /nfs/dbraw/zinc/29/03/48/649290348.db2.gz LESRAXGBMATCAK-CYBMUJFWSA-N 2 1 255.365 2.406 20 0 CEADMP C([C@@H]1C[C@H]2CCC[C@H]2O1)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000872142026 649291397 /nfs/dbraw/zinc/29/13/97/649291397.db2.gz HEOSWKONRRZTTM-UHOFOFEASA-N 2 1 264.413 2.160 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C)c(C(=O)OC)c2)C1 ZINC000872142251 649291688 /nfs/dbraw/zinc/29/16/88/649291688.db2.gz PLAFYWBKJXJLDB-OAHLLOKOSA-N 2 1 290.407 2.213 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C)c(C(=O)OC)c2)C1 ZINC000872142251 649291690 /nfs/dbraw/zinc/29/16/90/649291690.db2.gz PLAFYWBKJXJLDB-OAHLLOKOSA-N 2 1 290.407 2.213 20 0 CEADMP C([C@H]1CC2(CCC2)CO1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000872142774 649292056 /nfs/dbraw/zinc/29/20/56/649292056.db2.gz CPBKPUWNPHKVST-XHSDSOJGSA-N 2 1 278.440 2.410 20 0 CEADMP C([C@@H]1CC2(CCC2)CO1)[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000872143688 649293921 /nfs/dbraw/zinc/29/39/21/649293921.db2.gz VYPHYPMVTWSFRD-PMPSAXMXSA-N 2 1 278.440 2.410 20 0 CEADMP c1ccc2c(c1)CC[C@@]21CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000872146336 649296395 /nfs/dbraw/zinc/29/63/95/649296395.db2.gz LMFCIMTVEUGHPB-WMZOPIPTSA-N 2 1 298.430 2.097 20 0 CEADMP C[NH2+]CCCN1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000872146324 649296759 /nfs/dbraw/zinc/29/67/59/649296759.db2.gz LJQRVZFHBUIFNH-CYBMUJFWSA-N 2 1 264.417 2.322 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872146324 649296761 /nfs/dbraw/zinc/29/67/61/649296761.db2.gz LJQRVZFHBUIFNH-CYBMUJFWSA-N 2 1 264.417 2.322 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872146324 649296763 /nfs/dbraw/zinc/29/67/63/649296763.db2.gz LJQRVZFHBUIFNH-CYBMUJFWSA-N 2 1 264.417 2.322 20 0 CEADMP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000872153904 649297498 /nfs/dbraw/zinc/29/74/98/649297498.db2.gz JPVSHPYTJCMYSO-GRYCIOLGSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000872153904 649297500 /nfs/dbraw/zinc/29/75/00/649297500.db2.gz JPVSHPYTJCMYSO-GRYCIOLGSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc(OC(F)F)c1)C2 ZINC000872153339 649297680 /nfs/dbraw/zinc/29/76/80/649297680.db2.gz JLVKJVFRPPGTLB-SWLSCSKDSA-N 2 1 282.334 2.329 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cccc(OC(F)F)c1)C2 ZINC000872153339 649297683 /nfs/dbraw/zinc/29/76/83/649297683.db2.gz JLVKJVFRPPGTLB-SWLSCSKDSA-N 2 1 282.334 2.329 20 0 CEADMP COc1ccccc1CCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154627 649298506 /nfs/dbraw/zinc/29/85/06/649298506.db2.gz ZOBLDFLTOWAGQL-DOTOQJQBSA-N 2 1 274.408 2.169 20 0 CEADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000872157837 649300463 /nfs/dbraw/zinc/30/04/63/649300463.db2.gz RSOMMRPMVMHFAC-QZTJIDSGSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000872157837 649300464 /nfs/dbraw/zinc/30/04/64/649300464.db2.gz RSOMMRPMVMHFAC-QZTJIDSGSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2Cc1ccc2c(c1)C[NH2+]CC2 ZINC000872157837 649300465 /nfs/dbraw/zinc/30/04/65/649300465.db2.gz RSOMMRPMVMHFAC-QZTJIDSGSA-N 2 1 285.435 2.001 20 0 CEADMP C[C@@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000872276884 649340274 /nfs/dbraw/zinc/34/02/74/649340274.db2.gz SVMCNWHZDKQYJV-QXSJWSMHSA-N 2 1 295.471 2.273 20 0 CEADMP c1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C2CC2)c[nH+]1 ZINC000872414901 649385442 /nfs/dbraw/zinc/38/54/42/649385442.db2.gz SYBPWPPXNMUDFN-UONOGXRCSA-N 2 1 257.381 2.420 20 0 CEADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)Cn1cc[nH]c1=S ZINC000872743848 649474256 /nfs/dbraw/zinc/47/42/56/649474256.db2.gz LCFRHXAWXVRJNG-UHFFFAOYSA-N 2 1 296.484 2.429 20 0 CEADMP C[C@H]([NH3+])[C@H](C)Nc1cc(NCc2ccccc2)[nH+]cn1 ZINC000872777397 649484643 /nfs/dbraw/zinc/48/46/43/649484643.db2.gz ZCDBYCNMVPXVGG-RYUDHWBXSA-N 2 1 271.368 2.236 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@@H](C)[C@@H](C)O1 ZINC000873209209 649590780 /nfs/dbraw/zinc/59/07/80/649590780.db2.gz JTVQXUYQOKMUGN-GRYCIOLGSA-N 2 1 280.437 2.392 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@@H](C)[C@@H](C)O1 ZINC000873209209 649590783 /nfs/dbraw/zinc/59/07/83/649590783.db2.gz JTVQXUYQOKMUGN-GRYCIOLGSA-N 2 1 280.437 2.392 20 0 CEADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)CC1=CCSC1 ZINC000873213041 649592465 /nfs/dbraw/zinc/59/24/65/649592465.db2.gz VLFUKIWHXMEFGG-UHFFFAOYSA-N 2 1 280.462 2.499 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)CC[NH2+]1 ZINC000873221409 649596229 /nfs/dbraw/zinc/59/62/29/649596229.db2.gz JLZSNSUCMWNXNE-SYQHCUMBSA-N 2 1 254.443 2.059 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC[NH2+]1 ZINC000873222865 649597060 /nfs/dbraw/zinc/59/70/60/649597060.db2.gz DEXOYLKWCPBIIY-FMKPAKJESA-N 3 1 267.461 2.071 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@](CN)(C(C)(C)C)C2)CC[NH2+]1 ZINC000873222865 649597064 /nfs/dbraw/zinc/59/70/64/649597064.db2.gz DEXOYLKWCPBIIY-FMKPAKJESA-N 2 1 267.461 2.071 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@](CN)(C(C)(C)C)C2)CC[NH2+]1 ZINC000873222865 649597065 /nfs/dbraw/zinc/59/70/65/649597065.db2.gz DEXOYLKWCPBIIY-FMKPAKJESA-N 2 1 267.461 2.071 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000873223162 649597088 /nfs/dbraw/zinc/59/70/88/649597088.db2.gz IJTSCNLBKATPKA-UKRRQHHQSA-N 2 1 254.418 2.110 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1c[nH]nc1-c1cccnc1 ZINC000873231307 649602501 /nfs/dbraw/zinc/60/25/01/649602501.db2.gz DUAOLWIKCALVGA-UHFFFAOYSA-N 2 1 287.411 2.423 20 0 CEADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1)C1CCCC1 ZINC000873232681 649603477 /nfs/dbraw/zinc/60/34/77/649603477.db2.gz VURLYVPJIMEUNQ-HPBDAGMYSA-N 3 1 291.483 2.216 20 0 CEADMP [NH3+][C@H](C[C@@H]1CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1)C1CCCC1 ZINC000873232681 649603479 /nfs/dbraw/zinc/60/34/79/649603479.db2.gz VURLYVPJIMEUNQ-HPBDAGMYSA-N 2 1 291.483 2.216 20 0 CEADMP C[C@H]([NH2+]CCSCCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000873253419 649611196 /nfs/dbraw/zinc/61/11/96/649611196.db2.gz XKDBKYIZIMGZHE-VHSXEESVSA-N 2 1 270.364 2.402 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)C1CCOCC1 ZINC000873236110 649604208 /nfs/dbraw/zinc/60/42/08/649604208.db2.gz XJXKBHQDTBEXDX-TZMCWYRMSA-N 2 1 254.418 2.169 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2noc3ccc(F)cc23)C1 ZINC000873250220 649609520 /nfs/dbraw/zinc/60/95/20/649609520.db2.gz QJPFMXZFAQQSBH-QWRGUYRKSA-N 2 1 263.316 2.326 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@@H](N)c2ccccc21)C1CC[NH2+]CC1 ZINC000873271709 649620479 /nfs/dbraw/zinc/62/04/79/649620479.db2.gz LMXKRBDGXZQXOW-XZJROXQQSA-N 2 1 259.397 2.109 20 0 CEADMP CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H]1CCCC[C@H]1C ZINC000878474673 651106069 /nfs/dbraw/zinc/10/60/69/651106069.db2.gz DDWFMERZPTVWDZ-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)C2)C1 ZINC000878652383 651152548 /nfs/dbraw/zinc/15/25/48/651152548.db2.gz OXWOKKYYBPLJJK-NXOAAHMSSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)C2)C1 ZINC000878652383 651152550 /nfs/dbraw/zinc/15/25/50/651152550.db2.gz OXWOKKYYBPLJJK-NXOAAHMSSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)C2)C1 ZINC000878652383 651152552 /nfs/dbraw/zinc/15/25/52/651152552.db2.gz OXWOKKYYBPLJJK-NXOAAHMSSA-N 2 1 278.440 2.362 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1C[C@@H]3CCC[C@@H]3O1)C2 ZINC000878662404 651156272 /nfs/dbraw/zinc/15/62/72/651156272.db2.gz PGLJGANGUJNURC-LUKYLMHMSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1C[C@@H]3CCC[C@@H]3O1)C2 ZINC000878662404 651156274 /nfs/dbraw/zinc/15/62/74/651156274.db2.gz PGLJGANGUJNURC-LUKYLMHMSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1C[C@@H]3CCC[C@@H]3O1)C2 ZINC000878662404 651156277 /nfs/dbraw/zinc/15/62/77/651156277.db2.gz PGLJGANGUJNURC-LUKYLMHMSA-N 2 1 278.440 2.362 20 0 CEADMP COCC[N@H+](Cc1cccc(C)n1)CC1CC[NH+](C)CC1 ZINC000879125002 651247415 /nfs/dbraw/zinc/24/74/15/651247415.db2.gz MAKKZBOUUVURQK-UHFFFAOYSA-N 2 1 291.439 2.180 20 0 CEADMP Cn1cccc1C(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249017 651270255 /nfs/dbraw/zinc/27/02/55/651270255.db2.gz BQCPUHMLTFFYTJ-UHFFFAOYSA-N 2 1 289.423 2.016 20 0 CEADMP CO[C@@H]1CC[C@@H](C)[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000879320543 651285093 /nfs/dbraw/zinc/28/50/93/651285093.db2.gz HNOOOLGSSUNWJB-UKRRQHHQSA-N 2 1 265.401 2.471 20 0 CEADMP CO[C@@H]1CC[C@@H](C)[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000879320543 651285095 /nfs/dbraw/zinc/28/50/95/651285095.db2.gz HNOOOLGSSUNWJB-UKRRQHHQSA-N 2 1 265.401 2.471 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCOc3cccc(F)c3)CC[C@@H]21 ZINC000879573522 651324451 /nfs/dbraw/zinc/32/44/51/651324451.db2.gz YIBKHKRSAVLGTK-BBRMVZONSA-N 2 1 278.371 2.231 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCOc3cccc(F)c3)CC[C@@H]21 ZINC000879573522 651324453 /nfs/dbraw/zinc/32/44/53/651324453.db2.gz YIBKHKRSAVLGTK-BBRMVZONSA-N 2 1 278.371 2.231 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCOc3cccc(F)c3)CC[C@@H]21 ZINC000879573522 651324457 /nfs/dbraw/zinc/32/44/57/651324457.db2.gz YIBKHKRSAVLGTK-BBRMVZONSA-N 2 1 278.371 2.231 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCOc3cccc(F)c3)CC[C@@H]21 ZINC000879573522 651324458 /nfs/dbraw/zinc/32/44/58/651324458.db2.gz YIBKHKRSAVLGTK-BBRMVZONSA-N 2 1 278.371 2.231 20 0 CEADMP Cc1ncsc1CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573056 651324797 /nfs/dbraw/zinc/32/47/97/651324797.db2.gz LKFHQUCVMAVLLM-QWHCGFSZSA-N 2 1 265.426 2.020 20 0 CEADMP Cc1ncsc1CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573056 651324799 /nfs/dbraw/zinc/32/47/99/651324799.db2.gz LKFHQUCVMAVLLM-QWHCGFSZSA-N 2 1 265.426 2.020 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573056 651324801 /nfs/dbraw/zinc/32/48/01/651324801.db2.gz LKFHQUCVMAVLLM-QWHCGFSZSA-N 2 1 265.426 2.020 20 0 CEADMP Cc1ncsc1CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573056 651324802 /nfs/dbraw/zinc/32/48/02/651324802.db2.gz LKFHQUCVMAVLLM-QWHCGFSZSA-N 2 1 265.426 2.020 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579828 651325677 /nfs/dbraw/zinc/32/56/77/651325677.db2.gz BWDLZFLNRDGSNO-BBWFWOEESA-N 2 1 279.472 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579828 651325678 /nfs/dbraw/zinc/32/56/78/651325678.db2.gz BWDLZFLNRDGSNO-BBWFWOEESA-N 2 1 279.472 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579828 651325680 /nfs/dbraw/zinc/32/56/80/651325680.db2.gz BWDLZFLNRDGSNO-BBWFWOEESA-N 2 1 279.472 2.275 20 0 CEADMP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579307 651325809 /nfs/dbraw/zinc/32/58/09/651325809.db2.gz ZDYDPCZZUQMNRR-ZBFHGGJFSA-N 2 1 298.434 2.142 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579307 651325811 /nfs/dbraw/zinc/32/58/11/651325811.db2.gz ZDYDPCZZUQMNRR-ZBFHGGJFSA-N 2 1 298.434 2.142 20 0 CEADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579307 651325813 /nfs/dbraw/zinc/32/58/13/651325813.db2.gz ZDYDPCZZUQMNRR-ZBFHGGJFSA-N 2 1 298.434 2.142 20 0 CEADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579307 651325815 /nfs/dbraw/zinc/32/58/15/651325815.db2.gz ZDYDPCZZUQMNRR-ZBFHGGJFSA-N 2 1 298.434 2.142 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000879579583 651325947 /nfs/dbraw/zinc/32/59/47/651325947.db2.gz ADHPXMMIDNRKTF-KBMXLJTQSA-N 2 1 294.826 2.399 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000879579583 651325948 /nfs/dbraw/zinc/32/59/48/651325948.db2.gz ADHPXMMIDNRKTF-KBMXLJTQSA-N 2 1 294.826 2.399 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000879579583 651325949 /nfs/dbraw/zinc/32/59/49/651325949.db2.gz ADHPXMMIDNRKTF-KBMXLJTQSA-N 2 1 294.826 2.399 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000879579583 651325950 /nfs/dbraw/zinc/32/59/50/651325950.db2.gz ADHPXMMIDNRKTF-KBMXLJTQSA-N 2 1 294.826 2.399 20 0 CEADMP CC(C)C[N@H+](Cc1cn(C)cn1)CC1CC[NH+](C)CC1 ZINC000879703457 651341525 /nfs/dbraw/zinc/34/15/25/651341525.db2.gz NBVSXYWSYAFJIE-UHFFFAOYSA-N 2 1 278.444 2.220 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000880040995 651377939 /nfs/dbraw/zinc/37/79/39/651377939.db2.gz MIKCYOMEJNPIGQ-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000880040995 651377940 /nfs/dbraw/zinc/37/79/40/651377940.db2.gz MIKCYOMEJNPIGQ-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000880040995 651377941 /nfs/dbraw/zinc/37/79/41/651377941.db2.gz MIKCYOMEJNPIGQ-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP C[C@@H]1C[N@@H+](CC2(O)CCCCC2)CCN1c1cc[nH+]cc1 ZINC000880261267 651412086 /nfs/dbraw/zinc/41/20/86/651412086.db2.gz HYUSSIQBBSSQPR-OAHLLOKOSA-N 2 1 289.423 2.287 20 0 CEADMP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000880473619 651447145 /nfs/dbraw/zinc/44/71/45/651447145.db2.gz KKRLORPRGIOADS-KRWDZBQOSA-N 2 1 288.435 2.150 20 0 CEADMP CC1(C)CO[C@@H](C[NH+]2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000880476225 651447383 /nfs/dbraw/zinc/44/73/83/651447383.db2.gz RFIRAGLDEFNCDK-CQSZACIVSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cnc[nH]1 ZINC000880517891 651454194 /nfs/dbraw/zinc/45/41/94/651454194.db2.gz YNBSJKXFVVNNMS-UHFFFAOYSA-N 2 1 250.390 2.108 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnc[nH]1 ZINC000880517891 651454196 /nfs/dbraw/zinc/45/41/96/651454196.db2.gz YNBSJKXFVVNNMS-UHFFFAOYSA-N 2 1 250.390 2.108 20 0 CEADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1c[nH]cn1 ZINC000880517891 651454198 /nfs/dbraw/zinc/45/41/98/651454198.db2.gz YNBSJKXFVVNNMS-UHFFFAOYSA-N 2 1 250.390 2.108 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1c[nH]cn1 ZINC000880517891 651454201 /nfs/dbraw/zinc/45/42/01/651454201.db2.gz YNBSJKXFVVNNMS-UHFFFAOYSA-N 2 1 250.390 2.108 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000883028411 652331898 /nfs/dbraw/zinc/33/18/98/652331898.db2.gz KAMDJGQMHSEHTQ-QWHCGFSZSA-N 2 1 290.363 2.348 20 0 CEADMP COC[C@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000883169713 652387670 /nfs/dbraw/zinc/38/76/70/652387670.db2.gz AYNQSHMJXMPZEM-IXDOHACOSA-N 2 1 298.471 2.138 20 0 CEADMP COC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@H]1CCCOC1 ZINC000883220508 652404066 /nfs/dbraw/zinc/40/40/66/652404066.db2.gz KOJFIKJCNNOJSW-OTBWCIGPSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CC[N@@H+]1C ZINC000883367952 652446555 /nfs/dbraw/zinc/44/65/55/652446555.db2.gz BOKICPLOISVZJL-XQLPTFJDSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CC[N@H+]1C ZINC000883367952 652446559 /nfs/dbraw/zinc/44/65/59/652446559.db2.gz BOKICPLOISVZJL-XQLPTFJDSA-N 2 1 252.402 2.160 20 0 CEADMP C1CO[C@@]2(C1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883368258 652446690 /nfs/dbraw/zinc/44/66/90/652446690.db2.gz LTUHTHDGWGQADA-FXUDXRNXSA-N 2 1 264.413 2.305 20 0 CEADMP [NH3+]C[C@H]([NH2+]CCCOC(F)(F)F)C1CCCCC1 ZINC000883429903 652461466 /nfs/dbraw/zinc/46/14/66/652461466.db2.gz HSTHSBBFXHJHCA-NSHDSACASA-N 2 1 268.323 2.410 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(CCOCC2)CO1)C1CCC([NH3+])CC1 ZINC000883417723 652463001 /nfs/dbraw/zinc/46/30/01/652463001.db2.gz LAWGSPVWIRVAQN-UYSNPLJNSA-N 2 1 296.455 2.164 20 0 CEADMP C[NH2+]CCC[N@H+](C)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883433090 652468324 /nfs/dbraw/zinc/46/83/24/652468324.db2.gz IDVZFAQXYUAMAZ-HZPDHXFCSA-N 2 1 262.397 2.448 20 0 CEADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883433090 652468326 /nfs/dbraw/zinc/46/83/26/652468326.db2.gz IDVZFAQXYUAMAZ-HZPDHXFCSA-N 2 1 262.397 2.448 20 0 CEADMP [NH3+][C@@H](C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H](F)CN2)C1)C1CCCC1 ZINC000883441090 652471290 /nfs/dbraw/zinc/47/12/90/652471290.db2.gz HBZLLVKMFZGQGB-HJWJTTGWSA-N 2 1 297.462 2.306 20 0 CEADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H](F)CN2)C1)C1CCCC1 ZINC000883441090 652471292 /nfs/dbraw/zinc/47/12/92/652471292.db2.gz HBZLLVKMFZGQGB-HJWJTTGWSA-N 2 1 297.462 2.306 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H]2CC3(CCC3)CO2)[C@H]1C ZINC000883445619 652472866 /nfs/dbraw/zinc/47/28/66/652472866.db2.gz GWWMQLCFOZEIHL-LXTVHRRPSA-N 2 1 266.429 2.393 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H]2CC3(CCC3)CO2)[C@H]1C ZINC000883445619 652472867 /nfs/dbraw/zinc/47/28/67/652472867.db2.gz GWWMQLCFOZEIHL-LXTVHRRPSA-N 2 1 266.429 2.393 20 0 CEADMP Cc1ccc2c(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cc(=O)oc2c1 ZINC000132381503 652517117 /nfs/dbraw/zinc/51/71/17/652517117.db2.gz MEQFWLYTGUEHQA-OLZOCXBDSA-N 2 1 286.375 2.271 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000884188229 652745650 /nfs/dbraw/zinc/74/56/50/652745650.db2.gz BYCCLMOGYQAICO-KFWWJZLASA-N 2 1 297.487 2.233 20 0 CEADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000884200902 652749250 /nfs/dbraw/zinc/74/92/50/652749250.db2.gz LUFAHOLSDRIFBJ-RBSFLKMASA-N 2 1 297.487 2.233 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000884200900 652749933 /nfs/dbraw/zinc/74/99/33/652749933.db2.gz LUFAHOLSDRIFBJ-KFWWJZLASA-N 2 1 297.487 2.233 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884203709 652751696 /nfs/dbraw/zinc/75/16/96/652751696.db2.gz CIJVLHDAXYSBMI-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CCC(C)C)C1 ZINC001270831038 805579414 /nfs/dbraw/zinc/57/94/14/805579414.db2.gz VONUMCROXWMECB-QGZVFWFLSA-N 2 1 297.487 2.203 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CC=C(C)C ZINC001087523181 805666230 /nfs/dbraw/zinc/66/62/30/805666230.db2.gz MOTJVNPTJBKLFQ-ARFHVFGLSA-N 2 1 293.455 2.016 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CC=C(C)C ZINC001087523181 805666233 /nfs/dbraw/zinc/66/62/33/805666233.db2.gz MOTJVNPTJBKLFQ-ARFHVFGLSA-N 2 1 293.455 2.016 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CC=C(C)C ZINC001087523181 805666235 /nfs/dbraw/zinc/66/62/35/805666235.db2.gz MOTJVNPTJBKLFQ-ARFHVFGLSA-N 2 1 293.455 2.016 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]2[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168021901 805782305 /nfs/dbraw/zinc/78/23/05/805782305.db2.gz QUSAEBFRWGXNSY-IMPMIVQMSA-N 2 1 273.424 2.117 20 0 CEADMP CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CCC ZINC001271750926 806077635 /nfs/dbraw/zinc/07/76/35/806077635.db2.gz LSRZNLXKRBBRDE-HZPDHXFCSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001088327859 806120777 /nfs/dbraw/zinc/12/07/77/806120777.db2.gz YWNGGJJTZHADDM-HNNXBMFYSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001088666780 806584954 /nfs/dbraw/zinc/58/49/54/806584954.db2.gz QZMHBAAJLTUWJE-PMPSAXMXSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001088666780 806584958 /nfs/dbraw/zinc/58/49/58/806584958.db2.gz QZMHBAAJLTUWJE-PMPSAXMXSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001088666780 806584962 /nfs/dbraw/zinc/58/49/62/806584962.db2.gz QZMHBAAJLTUWJE-PMPSAXMXSA-N 2 1 293.455 2.016 20 0 CEADMP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001088666780 806584969 /nfs/dbraw/zinc/58/49/69/806584969.db2.gz QZMHBAAJLTUWJE-PMPSAXMXSA-N 2 1 293.455 2.016 20 0 CEADMP C[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)CC[C@@]1(C)O ZINC001168315259 806648538 /nfs/dbraw/zinc/64/85/38/806648538.db2.gz SXZNVHVUBINDLC-SLTXQBBLSA-N 2 1 268.445 2.342 20 0 CEADMP OC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccs1 ZINC001168359621 806700388 /nfs/dbraw/zinc/70/03/88/806700388.db2.gz CWGDKTRFFIKTTB-CQSZACIVSA-N 2 1 280.437 2.246 20 0 CEADMP Cc1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208603624 802388596 /nfs/dbraw/zinc/38/85/96/802388596.db2.gz GFNXEHHBEIRNLE-QGZVFWFLSA-N 2 1 287.451 2.459 20 0 CEADMP Cc1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208603624 802388604 /nfs/dbraw/zinc/38/86/04/802388604.db2.gz GFNXEHHBEIRNLE-QGZVFWFLSA-N 2 1 287.451 2.459 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000721427551 802627793 /nfs/dbraw/zinc/62/77/93/802627793.db2.gz QNWFDQZBJSQRDJ-WHOHXGKFSA-N 2 1 280.334 2.156 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000721427551 802627796 /nfs/dbraw/zinc/62/77/96/802627796.db2.gz QNWFDQZBJSQRDJ-WHOHXGKFSA-N 2 1 280.334 2.156 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)CC[C@@H]1C[NH3+] ZINC000721439518 802650270 /nfs/dbraw/zinc/65/02/70/802650270.db2.gz ATCLSGLTNOBINN-WISYIIOYSA-N 2 1 280.334 2.013 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@@H](O)c1ccccc1 ZINC000710765063 809992522 /nfs/dbraw/zinc/99/25/22/809992522.db2.gz JCVRLGXEBBUVIO-OAHLLOKOSA-N 2 1 250.386 2.171 20 0 CEADMP CC(C)([NH3+])c1ccccc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168375361 807000193 /nfs/dbraw/zinc/00/01/93/807000193.db2.gz ZRPXWSRWJJPHEQ-CYBMUJFWSA-N 2 1 289.423 2.156 20 0 CEADMP CC(C)([NH3+])c1ccccc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168375361 807000200 /nfs/dbraw/zinc/00/02/00/807000200.db2.gz ZRPXWSRWJJPHEQ-CYBMUJFWSA-N 2 1 289.423 2.156 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000723146820 802860943 /nfs/dbraw/zinc/86/09/43/802860943.db2.gz MXIBSAOIJVEJPD-WRWGMCAJSA-N 2 1 264.335 2.492 20 0 CEADMP C([NH2+][C@H]1CCCC2(CC2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000723567858 802890452 /nfs/dbraw/zinc/89/04/52/802890452.db2.gz FZSYZKYEOVNRNK-ZNMIVQPWSA-N 2 1 264.413 2.162 20 0 CEADMP C([NH2+][C@H]1CCCC2(CC2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000723567858 802890457 /nfs/dbraw/zinc/89/04/57/802890457.db2.gz FZSYZKYEOVNRNK-ZNMIVQPWSA-N 2 1 264.413 2.162 20 0 CEADMP Cc1nc(C)c(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)o1 ZINC000723651342 802917375 /nfs/dbraw/zinc/91/73/75/802917375.db2.gz UBBDBOAMXMAOBQ-CWSCBRNRSA-N 2 1 251.374 2.097 20 0 CEADMP C([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000723666074 802922144 /nfs/dbraw/zinc/92/21/44/802922144.db2.gz VYXIIKIBYYYBMK-LVQVYYBASA-N 2 1 278.440 2.266 20 0 CEADMP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CC[NH3+])C2)c(Cl)c1 ZINC000723695216 802926210 /nfs/dbraw/zinc/92/62/10/802926210.db2.gz LTIMLGWHIBZASF-GFCCVEGCSA-N 2 1 295.814 2.258 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CC[NH3+])C2)c(Cl)c1 ZINC000723695216 802926218 /nfs/dbraw/zinc/92/62/18/802926218.db2.gz LTIMLGWHIBZASF-GFCCVEGCSA-N 2 1 295.814 2.258 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]CCc2cc(F)cc(F)c2)C[NH2+]1 ZINC000398953747 802927230 /nfs/dbraw/zinc/92/72/30/802927230.db2.gz GBCIGHUDYMZJKT-HZMBPMFUSA-N 2 1 254.324 2.237 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H]1CC[NH3+] ZINC000723883713 802963865 /nfs/dbraw/zinc/96/38/65/802963865.db2.gz PCOKNYAOUTYWFP-IUODEOHRSA-N 2 1 260.381 2.038 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCOC1 ZINC000724013407 803003574 /nfs/dbraw/zinc/00/35/74/803003574.db2.gz QJEYZLBVIVKUCM-JJXSEGSLSA-N 2 1 266.429 2.408 20 0 CEADMP CCCCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001267117448 803139993 /nfs/dbraw/zinc/13/99/93/803139993.db2.gz SSXAYTCAULGHQH-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CCC([NH3+])CC1 ZINC000693603462 803154066 /nfs/dbraw/zinc/15/40/66/803154066.db2.gz KJBCPPYSBMCRSL-CIQKMYMNSA-N 2 1 258.356 2.479 20 0 CEADMP Cc1ccc(-n2cccc2C[NH3+])c(C[NH+]2CCOCC2)c1 ZINC001167596052 803178060 /nfs/dbraw/zinc/17/80/60/803178060.db2.gz SPNXUNPAQPXCTM-UHFFFAOYSA-N 2 1 285.391 2.077 20 0 CEADMP [NH2+]=C(Nc1ccnc2c(F)cccc12)SCC[NH3+] ZINC001167913012 803227206 /nfs/dbraw/zinc/22/72/06/803227206.db2.gz VBLKREHUTVWZGP-UHFFFAOYSA-N 2 1 264.329 2.412 20 0 CEADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267618529 803625149 /nfs/dbraw/zinc/62/51/49/803625149.db2.gz PYMWDVIUEDJOJS-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH2+]CCNc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001167724190 803675701 /nfs/dbraw/zinc/67/57/01/803675701.db2.gz IUUOSRNXDYDKSS-UHFFFAOYSA-N 2 1 266.345 2.060 20 0 CEADMP CC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267776368 803728546 /nfs/dbraw/zinc/72/85/46/803728546.db2.gz JXRJIFWJSRIBMT-ALLYREJPSA-N 2 1 295.471 2.216 20 0 CEADMP C(C[C@@H]1CCCS1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000715641297 814984399 /nfs/dbraw/zinc/98/43/99/814984399.db2.gz FWWCDBCXXFXRCH-AWEZNQCLSA-N 2 1 254.443 2.489 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027407235 804063091 /nfs/dbraw/zinc/06/30/91/804063091.db2.gz BLYZJFWDDQNUMX-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027407235 804063101 /nfs/dbraw/zinc/06/31/01/804063101.db2.gz BLYZJFWDDQNUMX-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001027407235 804063111 /nfs/dbraw/zinc/06/31/11/804063111.db2.gz BLYZJFWDDQNUMX-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027447991 804077774 /nfs/dbraw/zinc/07/77/74/804077774.db2.gz DFXXTOWWIPTXEV-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027447991 804077783 /nfs/dbraw/zinc/07/77/83/804077783.db2.gz DFXXTOWWIPTXEV-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027447991 804077792 /nfs/dbraw/zinc/07/77/92/804077792.db2.gz DFXXTOWWIPTXEV-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1)[NH+](C)C ZINC001027459989 804080007 /nfs/dbraw/zinc/08/00/07/804080007.db2.gz FIQBXGXCDUCQOZ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCc3[nH]ncc32)CC1 ZINC000335944509 804115655 /nfs/dbraw/zinc/11/56/55/804115655.db2.gz LAHDOFIARZQCCT-CYBMUJFWSA-N 2 1 262.401 2.109 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577242 804133240 /nfs/dbraw/zinc/13/32/40/804133240.db2.gz HBMUNAARHLGSGP-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027577242 804133244 /nfs/dbraw/zinc/13/32/44/804133244.db2.gz HBMUNAARHLGSGP-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001027577242 804133249 /nfs/dbraw/zinc/13/32/49/804133249.db2.gz HBMUNAARHLGSGP-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCC(C)(C)C ZINC001027795152 804261908 /nfs/dbraw/zinc/26/19/08/804261908.db2.gz PJYRUABEUOCKGC-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001027795152 804261914 /nfs/dbraw/zinc/26/19/14/804261914.db2.gz PJYRUABEUOCKGC-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC(C)(C)C ZINC001027795152 804261919 /nfs/dbraw/zinc/26/19/19/804261919.db2.gz PJYRUABEUOCKGC-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000399274834 804357535 /nfs/dbraw/zinc/35/75/35/804357535.db2.gz VNQYHKTXUUYETP-NXEZZACHSA-N 2 1 251.201 2.241 20 0 CEADMP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268069289 804375362 /nfs/dbraw/zinc/37/53/62/804375362.db2.gz VPSASEXFFNWXQX-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP CCc1nnc2n1CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C2 ZINC001167833309 804411804 /nfs/dbraw/zinc/41/18/04/804411804.db2.gz ABPNDIQTHCPNAI-AWEZNQCLSA-N 2 1 293.459 2.167 20 0 CEADMP CCc1nnc2n1CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C2 ZINC001167833309 804411808 /nfs/dbraw/zinc/41/18/08/804411808.db2.gz ABPNDIQTHCPNAI-AWEZNQCLSA-N 2 1 293.459 2.167 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001167834901 804421952 /nfs/dbraw/zinc/42/19/52/804421952.db2.gz NPNSAIZADAFSHY-RRFJBIMHSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001167835908 804428713 /nfs/dbraw/zinc/42/87/13/804428713.db2.gz VVTYSNZOHWTXDL-JKSUJKDBSA-N 2 1 293.459 2.426 20 0 CEADMP Cc1cncc(NCCN2CCSCC2)c1C ZINC001167837889 804432614 /nfs/dbraw/zinc/43/26/14/804432614.db2.gz ZZRNOCPNFMFWDA-UHFFFAOYSA-N 2 1 251.399 2.159 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](COC)C1 ZINC001167841668 804445848 /nfs/dbraw/zinc/44/58/48/804445848.db2.gz NWNQJWGBFHAZHF-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001268180125 804528774 /nfs/dbraw/zinc/52/87/74/804528774.db2.gz LYKNGMDQQBKKPW-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP C[N@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CCCC(C)(C)C)C1 ZINC001268625710 804894785 /nfs/dbraw/zinc/89/47/85/804894785.db2.gz JYLHKBXVBFHFAH-IYKSTZQJSA-N 2 1 295.471 2.026 20 0 CEADMP CN(CCC[NH2+]CCC(C)(C)C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001268802557 804975881 /nfs/dbraw/zinc/97/58/81/804975881.db2.gz RRYSUAFGVXSGKV-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP COC(=O)C[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387318 807042378 /nfs/dbraw/zinc/04/23/78/807042378.db2.gz CSZMYOVTVHUDRM-OAHLLOKOSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)CC[C@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387745 807044828 /nfs/dbraw/zinc/04/48/28/807044828.db2.gz SBWBPFTXHICHGN-HNNXBMFYSA-N 2 1 294.439 2.136 20 0 CEADMP FC[C@H]1[C@@H]2C[N@H+](C3CC[NH+](CC4CC4)CC3)C[C@H]12 ZINC001168387574 807045395 /nfs/dbraw/zinc/04/53/95/807045395.db2.gz LHOZXWVWXWXLRE-QKDCVEJESA-N 2 1 252.377 2.008 20 0 CEADMP Cc1noc([C@H]2CC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)n1 ZINC001168388004 807048055 /nfs/dbraw/zinc/04/80/55/807048055.db2.gz ZKAUUYHSWPEZFW-AWEZNQCLSA-N 2 1 290.411 2.042 20 0 CEADMP Cc1noc([C@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)n1 ZINC001168388004 807048063 /nfs/dbraw/zinc/04/80/63/807048063.db2.gz ZKAUUYHSWPEZFW-AWEZNQCLSA-N 2 1 290.411 2.042 20 0 CEADMP C[N@@H+](C1CC1)C1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168389958 807052291 /nfs/dbraw/zinc/05/22/91/807052291.db2.gz ZADPRNWWUQEFCB-UHFFFAOYSA-N 2 1 291.483 2.419 20 0 CEADMP CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845719 805303950 /nfs/dbraw/zinc/30/39/50/805303950.db2.gz ONYALUMVETUSNZ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845719 805303958 /nfs/dbraw/zinc/30/39/58/805303958.db2.gz ONYALUMVETUSNZ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845719 805303967 /nfs/dbraw/zinc/30/39/67/805303967.db2.gz ONYALUMVETUSNZ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001270021348 805312303 /nfs/dbraw/zinc/31/23/03/805312303.db2.gz DSVHKCDEVRYMKA-XETQRACLSA-N 2 1 293.455 2.018 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)[C@H]1CCCO1 ZINC001167959947 805315882 /nfs/dbraw/zinc/31/58/82/805315882.db2.gz VWORFNSYGKLXLS-WTXIUTQJSA-N 2 1 264.413 2.160 20 0 CEADMP C(CN1CCCCO1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960358 805323309 /nfs/dbraw/zinc/32/33/09/805323309.db2.gz YOGKWRJCDKHTSE-ALOPSCKCSA-N 2 1 293.455 2.009 20 0 CEADMP NCC[N@@H+](Cc1ccccc1)[C@@H]1CCCC2(C1)OCCO2 ZINC000712807282 805440403 /nfs/dbraw/zinc/44/04/03/805440403.db2.gz VJJXODDQCMFMLP-MRXNPFEDSA-N 2 1 290.407 2.133 20 0 CEADMP C[C@@H](C[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964190 805443585 /nfs/dbraw/zinc/44/35/85/805443585.db2.gz NNOTZJVHXYCHJJ-MIGBEJBISA-N 2 1 291.483 2.466 20 0 CEADMP CCOC(=O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966330 805479364 /nfs/dbraw/zinc/47/93/64/805479364.db2.gz UDZVKSPJJSZXKK-MQVJKMGUSA-N 2 1 294.439 2.325 20 0 CEADMP CC1([NH3+])CN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001204966481 805480860 /nfs/dbraw/zinc/48/08/60/805480860.db2.gz XATBKKGLNJARIX-MRXNPFEDSA-N 2 1 273.424 2.074 20 0 CEADMP CCOC(=O)[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167972789 805502740 /nfs/dbraw/zinc/50/27/40/805502740.db2.gz BNNVQXSEAWKSSW-WWTUQBGBSA-N 2 1 294.439 2.181 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981938 805515717 /nfs/dbraw/zinc/51/57/17/805515717.db2.gz QFZBZZWTEKWDPW-FRKNIRMPSA-N 2 1 291.483 2.322 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981938 805515722 /nfs/dbraw/zinc/51/57/22/805515722.db2.gz QFZBZZWTEKWDPW-FRKNIRMPSA-N 2 1 291.483 2.322 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981938 805515726 /nfs/dbraw/zinc/51/57/26/805515726.db2.gz QFZBZZWTEKWDPW-FRKNIRMPSA-N 2 1 291.483 2.322 20 0 CEADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981938 805515731 /nfs/dbraw/zinc/51/57/31/805515731.db2.gz QFZBZZWTEKWDPW-FRKNIRMPSA-N 3 1 291.483 2.322 20 0 CEADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981938 805515734 /nfs/dbraw/zinc/51/57/34/805515734.db2.gz QFZBZZWTEKWDPW-FRKNIRMPSA-N 3 1 291.483 2.322 20 0 CEADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NCC[NH+](C)C)nc1 ZINC001161666838 805534209 /nfs/dbraw/zinc/53/42/09/805534209.db2.gz MHAPPWFWHSDSAN-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@]1(C)O ZINC001167984766 805536305 /nfs/dbraw/zinc/53/63/05/805536305.db2.gz RDZMQACZHUPCTB-SCBLWJDOSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@@]1(C)O ZINC001167984766 805536311 /nfs/dbraw/zinc/53/63/11/805536311.db2.gz RDZMQACZHUPCTB-SCBLWJDOSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@]1(C)O ZINC001167984766 805536319 /nfs/dbraw/zinc/53/63/19/805536319.db2.gz RDZMQACZHUPCTB-SCBLWJDOSA-N 2 1 292.467 2.485 20 0 CEADMP C([NH2+]C1CCC2(CC2)CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000696002202 807114928 /nfs/dbraw/zinc/11/49/28/807114928.db2.gz VORWIQGZAJZGRE-CABCVRRESA-N 2 1 264.413 2.162 20 0 CEADMP C([NH2+]C1CCC2(CC2)CC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000696002202 807114936 /nfs/dbraw/zinc/11/49/36/807114936.db2.gz VORWIQGZAJZGRE-CABCVRRESA-N 2 1 264.413 2.162 20 0 CEADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1cc[nH+]cc1Cl ZINC001120906315 807350933 /nfs/dbraw/zinc/35/09/33/807350933.db2.gz HOOKXGZRDVBSOY-RNCFNFMXSA-N 2 1 251.761 2.052 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1cc[nH+]cc1Cl ZINC001120906315 807350945 /nfs/dbraw/zinc/35/09/45/807350945.db2.gz HOOKXGZRDVBSOY-RNCFNFMXSA-N 2 1 251.761 2.052 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089181545 807405592 /nfs/dbraw/zinc/40/55/92/807405592.db2.gz USJWFOFUNBMNAY-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001089181545 807405596 /nfs/dbraw/zinc/40/55/96/807405596.db2.gz USJWFOFUNBMNAY-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001089181545 807405599 /nfs/dbraw/zinc/40/55/99/807405599.db2.gz USJWFOFUNBMNAY-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171448220 815126704 /nfs/dbraw/zinc/12/67/04/815126704.db2.gz KKZGKSYCLLEOMV-BXUZGUMPSA-N 2 1 280.362 2.363 20 0 CEADMP CC(C)Oc1ncccc1CC[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205093622 807569297 /nfs/dbraw/zinc/56/92/97/807569297.db2.gz CRGWCAONYGQTCM-HNNXBMFYSA-N 2 1 277.412 2.225 20 0 CEADMP CC[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)CO1 ZINC000699259952 807664427 /nfs/dbraw/zinc/66/44/27/807664427.db2.gz LNEFRDOTYQSQNW-LUGNKYPNSA-N 2 1 252.402 2.016 20 0 CEADMP CC(C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716622183 815137324 /nfs/dbraw/zinc/13/73/24/815137324.db2.gz ULSMIXYMRIKVIZ-BBWFWOEESA-N 2 1 288.435 2.400 20 0 CEADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H]1CCCCO1 ZINC000699281229 807670911 /nfs/dbraw/zinc/67/09/11/807670911.db2.gz HJQHRSCDNCEXCH-JALIKCBVSA-N 2 1 252.402 2.018 20 0 CEADMP CN(C)c1ccc(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC001119631067 815142513 /nfs/dbraw/zinc/14/25/13/815142513.db2.gz NAEBSEXXFABSQX-OAHLLOKOSA-N 2 1 261.413 2.025 20 0 CEADMP CC[C@H](C)c1nn(C)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205130464 807734559 /nfs/dbraw/zinc/73/45/59/807734559.db2.gz FEKSUMYJGZIVAM-GXTWGEPZSA-N 2 1 264.417 2.247 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC(C)(O)CC2)CC1(C)C ZINC001119665628 815146501 /nfs/dbraw/zinc/14/65/01/815146501.db2.gz VZKVKYOWMKBHGI-JVWICGRDSA-N 2 1 254.418 2.142 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)C[C@H]1C[NH3+] ZINC001205155679 807841354 /nfs/dbraw/zinc/84/13/54/807841354.db2.gz BWWSAFITROTEEM-DZGCQCFKSA-N 2 1 291.414 2.453 20 0 CEADMP [NH3+][C@]12CC[C@@H]1C[N@H+](CCc1ccc(Cl)cc1)C2 ZINC001235977987 807903743 /nfs/dbraw/zinc/90/37/43/807903743.db2.gz ICVSJBRNTRABEI-OCCSQVGLSA-N 2 1 250.773 2.306 20 0 CEADMP [NH3+][C@]12CC[C@@H]1C[N@@H+](CCc1ccc(Cl)cc1)C2 ZINC001235977987 807903746 /nfs/dbraw/zinc/90/37/46/807903746.db2.gz ICVSJBRNTRABEI-OCCSQVGLSA-N 2 1 250.773 2.306 20 0 CEADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001089616993 808073707 /nfs/dbraw/zinc/07/37/07/808073707.db2.gz QRSQHKVANHOUGK-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001089616993 808073712 /nfs/dbraw/zinc/07/37/12/808073712.db2.gz QRSQHKVANHOUGK-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001089616993 808073718 /nfs/dbraw/zinc/07/37/18/808073718.db2.gz QRSQHKVANHOUGK-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CSC1(C[NH2+][C@H]2CCCc3[nH]ncc32)CC[NH+](C)CC1 ZINC000353627577 808166265 /nfs/dbraw/zinc/16/62/65/808166265.db2.gz LIDNERCJCMKTHZ-ZDUSSCGKSA-N 2 1 294.468 2.204 20 0 CEADMP CCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010736 815186610 /nfs/dbraw/zinc/18/66/10/815186610.db2.gz WAUFDZAPQGHKSB-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)[C@H]1OC ZINC001120034484 815190730 /nfs/dbraw/zinc/19/07/30/815190730.db2.gz DCXDRGWNQMCVNV-BZUAXINKSA-N 2 1 286.460 2.277 20 0 CEADMP Cc1cccc2c1CC[C@H]([NH+]1C[C@H]3C[N@@H+](C)C[C@H]3C1)C2 ZINC001171573185 815199700 /nfs/dbraw/zinc/19/97/00/815199700.db2.gz HECQUALFKYFBSR-BBWFWOEESA-N 2 1 270.420 2.346 20 0 CEADMP C[C@H]1C[C@@H](n2ccc(C[NH3+])cc2=N)C[N@H+]1Cc1ccccc1 ZINC001171725859 815218703 /nfs/dbraw/zinc/21/87/03/815218703.db2.gz OHHVEXSCENBVKE-WMLDXEAASA-N 2 1 296.418 2.262 20 0 CEADMP C[C@@H]1C[C@H](n2cc(CC[NH3+])cn2)C[N@H+]1Cc1ccccc1 ZINC001171728498 815219474 /nfs/dbraw/zinc/21/94/74/815219474.db2.gz ONIPZTJZVGBKHC-PBHICJAKSA-N 2 1 284.407 2.220 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc3ccccc3o2)CC1 ZINC001205221729 808626959 /nfs/dbraw/zinc/62/69/59/808626959.db2.gz XIDACPBPYBLGPD-INIZCTEOSA-N 2 1 274.364 2.109 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[NH+]3CCC[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171754460 815225248 /nfs/dbraw/zinc/22/52/48/815225248.db2.gz DVWCWUBULWFRRO-BHIYHBOVSA-N 2 1 299.462 2.429 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[N@@H+]3CCC[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171754460 815225254 /nfs/dbraw/zinc/22/52/54/815225254.db2.gz DVWCWUBULWFRRO-BHIYHBOVSA-N 2 1 299.462 2.429 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[N@H+]3CCC[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171754460 815225257 /nfs/dbraw/zinc/22/52/57/815225257.db2.gz DVWCWUBULWFRRO-BHIYHBOVSA-N 2 1 299.462 2.429 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[NH+]3CC[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171767307 815228343 /nfs/dbraw/zinc/22/83/43/815228343.db2.gz MWYCRIKSQQACAQ-BPQIPLTHSA-N 2 1 285.435 2.039 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[N@@H+]3CC[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171767307 815228347 /nfs/dbraw/zinc/22/83/47/815228347.db2.gz MWYCRIKSQQACAQ-BPQIPLTHSA-N 2 1 285.435 2.039 20 0 CEADMP C[C@@H]1C[C@@H](N2CC[N@H+]3CC[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171767307 815228353 /nfs/dbraw/zinc/22/83/53/815228353.db2.gz MWYCRIKSQQACAQ-BPQIPLTHSA-N 2 1 285.435 2.039 20 0 CEADMP CCCCC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001203460668 808699546 /nfs/dbraw/zinc/69/95/46/808699546.db2.gz UQWTXFVFJLHFBD-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)CC1 ZINC000691352263 808872507 /nfs/dbraw/zinc/87/25/07/808872507.db2.gz WBQSNVWTJHYTRR-CYBMUJFWSA-N 2 1 294.361 2.108 20 0 CEADMP CC(C)(C)OC(=O)C1CCC([N@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC001171910430 815249577 /nfs/dbraw/zinc/24/95/77/815249577.db2.gz OWZWGCCABJLJLR-MOKVOYLWSA-N 2 1 282.428 2.310 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168675746 808905591 /nfs/dbraw/zinc/90/55/91/808905591.db2.gz GOMOZRXYLSJAGO-ZDUSSCGKSA-N 2 1 264.800 2.491 20 0 CEADMP CC(C)(C)OC(=O)C1CCC([N@@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC001171910430 815249574 /nfs/dbraw/zinc/24/95/74/815249574.db2.gz OWZWGCCABJLJLR-MOKVOYLWSA-N 2 1 282.428 2.310 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C12CCC2 ZINC000453106393 809036304 /nfs/dbraw/zinc/03/63/04/809036304.db2.gz JBBUWTBNCGKHRA-NWANDNLSSA-N 2 1 277.412 2.375 20 0 CEADMP N[C@@H]1CC[N@@H+](CCc2ccc(F)cc2)CC[C@@H]1F ZINC001206155971 815280956 /nfs/dbraw/zinc/28/09/56/815280956.db2.gz NMPRVSOPBYZRKV-UONOGXRCSA-N 2 1 254.324 2.129 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](CCc2ccc(F)cc2)CC[C@@H]1F ZINC001206155971 815280963 /nfs/dbraw/zinc/28/09/63/815280963.db2.gz NMPRVSOPBYZRKV-UONOGXRCSA-N 2 1 254.324 2.129 20 0 CEADMP COC(=O)C[N@H+](C1CCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128065 815287697 /nfs/dbraw/zinc/28/76/97/815287697.db2.gz NWCPXABZOVUBEM-MUJYYYPQSA-N 2 1 294.439 2.419 20 0 CEADMP COC(=O)C[N@@H+](C1CCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128065 815287699 /nfs/dbraw/zinc/28/76/99/815287699.db2.gz NWCPXABZOVUBEM-MUJYYYPQSA-N 2 1 294.439 2.419 20 0 CEADMP COC(=O)C[NH+](C1CCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128065 815287702 /nfs/dbraw/zinc/28/77/02/815287702.db2.gz NWCPXABZOVUBEM-MUJYYYPQSA-N 2 1 294.439 2.419 20 0 CEADMP COC(=O)C[NH+](C1CCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128065 815287703 /nfs/dbraw/zinc/28/77/03/815287703.db2.gz NWCPXABZOVUBEM-MUJYYYPQSA-N 2 1 294.439 2.419 20 0 CEADMP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000701035736 809381884 /nfs/dbraw/zinc/38/18/84/809381884.db2.gz QOIPLNRTXXSIHC-LTIXOOFXSA-N 2 1 252.402 2.013 20 0 CEADMP CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001033690604 809384045 /nfs/dbraw/zinc/38/40/45/809384045.db2.gz ZBPQVYNLCWIILK-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001033690604 809384050 /nfs/dbraw/zinc/38/40/50/809384050.db2.gz ZBPQVYNLCWIILK-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001033690604 809384055 /nfs/dbraw/zinc/38/40/55/809384055.db2.gz ZBPQVYNLCWIILK-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](C(C)C)C2)CC[N@H+]1C ZINC001033834216 809430065 /nfs/dbraw/zinc/43/00/65/809430065.db2.gz DPJQHCAEFLWLSG-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](C(C)C)C2)CC[NH+]1C ZINC001033834216 809430070 /nfs/dbraw/zinc/43/00/70/809430070.db2.gz DPJQHCAEFLWLSG-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](C(C)C)C2)CC[NH+]1C ZINC001033834216 809430074 /nfs/dbraw/zinc/43/00/74/809430074.db2.gz DPJQHCAEFLWLSG-HRCADAONSA-N 2 1 295.471 2.048 20 0 CEADMP CN1CCC[C@@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001172130412 815288428 /nfs/dbraw/zinc/28/84/28/815288428.db2.gz OYDZOCYLGDXLMS-UHDSXZAQSA-N 2 1 277.456 2.028 20 0 CEADMP CN1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@H]21 ZINC001172130412 815288431 /nfs/dbraw/zinc/28/84/31/815288431.db2.gz OYDZOCYLGDXLMS-UHDSXZAQSA-N 2 1 277.456 2.028 20 0 CEADMP CN1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@H]21 ZINC001172130412 815288434 /nfs/dbraw/zinc/28/84/34/815288434.db2.gz OYDZOCYLGDXLMS-UHDSXZAQSA-N 2 1 277.456 2.028 20 0 CEADMP COC(=O)C1(C)CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001168752783 809432445 /nfs/dbraw/zinc/43/24/45/809432445.db2.gz SRKJUYIPXVLWFG-VQCLRJIVSA-N 2 1 282.428 2.040 20 0 CEADMP CC[N@H+](CC(C)(C)O)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128561 815289268 /nfs/dbraw/zinc/28/92/68/815289268.db2.gz SFALKPZZDCOXQZ-WDNDVIMCSA-N 2 1 254.418 2.095 20 0 CEADMP CC[N@@H+](CC(C)(C)O)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128561 815289272 /nfs/dbraw/zinc/28/92/72/815289272.db2.gz SFALKPZZDCOXQZ-WDNDVIMCSA-N 2 1 254.418 2.095 20 0 CEADMP CC[NH+](CC(C)(C)O)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128561 815289275 /nfs/dbraw/zinc/28/92/75/815289275.db2.gz SFALKPZZDCOXQZ-WDNDVIMCSA-N 2 1 254.418 2.095 20 0 CEADMP CC[NH+](CC(C)(C)O)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128561 815289277 /nfs/dbraw/zinc/28/92/77/815289277.db2.gz SFALKPZZDCOXQZ-WDNDVIMCSA-N 2 1 254.418 2.095 20 0 CEADMP CC[C@H]1COCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128140 815289616 /nfs/dbraw/zinc/28/96/16/815289616.db2.gz PMWZYFKNQLRINF-XQLPTFJDSA-N 2 1 252.402 2.113 20 0 CEADMP CC[C@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128140 815289617 /nfs/dbraw/zinc/28/96/17/815289617.db2.gz PMWZYFKNQLRINF-XQLPTFJDSA-N 2 1 252.402 2.113 20 0 CEADMP CC[C@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128140 815289621 /nfs/dbraw/zinc/28/96/21/815289621.db2.gz PMWZYFKNQLRINF-XQLPTFJDSA-N 2 1 252.402 2.113 20 0 CEADMP CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033928283 809452963 /nfs/dbraw/zinc/45/29/63/809452963.db2.gz WNDQGOAAIZAVGB-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC1CCCC1 ZINC001128783012 809456629 /nfs/dbraw/zinc/45/66/29/809456629.db2.gz CTWVOMNNKCFNEF-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105076 815296117 /nfs/dbraw/zinc/29/61/17/815296117.db2.gz GGZQRGBWEDWVDZ-XOUADPBQSA-N 2 1 274.412 2.013 20 0 CEADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105076 815296120 /nfs/dbraw/zinc/29/61/20/815296120.db2.gz GGZQRGBWEDWVDZ-XOUADPBQSA-N 2 1 274.412 2.013 20 0 CEADMP C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cnccn1 ZINC001172108874 815297896 /nfs/dbraw/zinc/29/78/96/815297896.db2.gz HESUGYSQUVCEBK-XDQVBPFNSA-N 2 1 260.385 2.143 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cnccn1 ZINC001172108874 815297900 /nfs/dbraw/zinc/29/79/00/815297900.db2.gz HESUGYSQUVCEBK-XDQVBPFNSA-N 2 1 260.385 2.143 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cnccn1 ZINC001172108874 815297904 /nfs/dbraw/zinc/29/79/04/815297904.db2.gz HESUGYSQUVCEBK-XDQVBPFNSA-N 2 1 260.385 2.143 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCC)C1 ZINC001034238251 809561795 /nfs/dbraw/zinc/56/17/95/809561795.db2.gz BNJGQDZSFXMOPP-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC)C1 ZINC001034238251 809561798 /nfs/dbraw/zinc/56/17/98/809561798.db2.gz BNJGQDZSFXMOPP-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC)C1 ZINC001034238251 809561802 /nfs/dbraw/zinc/56/18/02/809561802.db2.gz BNJGQDZSFXMOPP-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCC(=O)C1)C2 ZINC001172116352 815306989 /nfs/dbraw/zinc/30/69/89/815306989.db2.gz GZWXLEJEBYKDOL-XDQVBPFNSA-N 2 1 250.386 2.103 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCC(=O)C1)C2 ZINC001172116352 815306995 /nfs/dbraw/zinc/30/69/95/815306995.db2.gz GZWXLEJEBYKDOL-XDQVBPFNSA-N 2 1 250.386 2.103 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@](C)(O)CC1)C2 ZINC001172114703 815303784 /nfs/dbraw/zinc/30/37/84/815303784.db2.gz SJNGWQXPWUOJLR-FXUDXRNXSA-N 2 1 266.429 2.239 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@](C)(O)CC1)C2 ZINC001172114703 815303788 /nfs/dbraw/zinc/30/37/88/815303788.db2.gz SJNGWQXPWUOJLR-FXUDXRNXSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@](C)(O)CC1)C2 ZINC001172114703 815303794 /nfs/dbraw/zinc/30/37/94/815303794.db2.gz SJNGWQXPWUOJLR-FXUDXRNXSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@](C)(O)CC1)C2 ZINC001172114703 815303797 /nfs/dbraw/zinc/30/37/97/815303797.db2.gz SJNGWQXPWUOJLR-FXUDXRNXSA-N 2 1 266.429 2.239 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(C)(C)C[C@@]1(C)CO)C2 ZINC001172117021 815305900 /nfs/dbraw/zinc/30/59/00/815305900.db2.gz FQKLDJJRRTYOSG-HWMZRRJGSA-N 2 1 280.456 2.485 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(C)(C)C[C@@]1(C)CO)C2 ZINC001172117021 815305907 /nfs/dbraw/zinc/30/59/07/815305907.db2.gz FQKLDJJRRTYOSG-HWMZRRJGSA-N 2 1 280.456 2.485 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC(C)(C)C[C@@]1(C)CO)C2 ZINC001172117021 815305912 /nfs/dbraw/zinc/30/59/12/815305912.db2.gz FQKLDJJRRTYOSG-HWMZRRJGSA-N 2 1 280.456 2.485 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC(C)(C)C[C@@]1(C)CO)C2 ZINC001172117021 815305918 /nfs/dbraw/zinc/30/59/18/815305918.db2.gz FQKLDJJRRTYOSG-HWMZRRJGSA-N 2 1 280.456 2.485 20 0 CEADMP C[N@H+](CC1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120025 815309124 /nfs/dbraw/zinc/30/91/24/815309124.db2.gz IYNHARWHQXSGHP-MUJYYYPQSA-N 2 1 266.429 2.360 20 0 CEADMP C[N@@H+](CC1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120025 815309129 /nfs/dbraw/zinc/30/91/29/815309129.db2.gz IYNHARWHQXSGHP-MUJYYYPQSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](CC1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120025 815309134 /nfs/dbraw/zinc/30/91/34/815309134.db2.gz IYNHARWHQXSGHP-MUJYYYPQSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](CC1CCOCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120025 815309140 /nfs/dbraw/zinc/30/91/40/815309140.db2.gz IYNHARWHQXSGHP-MUJYYYPQSA-N 2 1 266.429 2.360 20 0 CEADMP CC[N@H+]1CC[C@@H](CNCc2ccc(Cl)cn2)C1 ZINC000703888038 809701805 /nfs/dbraw/zinc/70/18/05/809701805.db2.gz ZSAZAXMZSAGMCX-NSHDSACASA-N 2 1 253.777 2.166 20 0 CEADMP CC(C)[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172120190 815310124 /nfs/dbraw/zinc/31/01/24/815310124.db2.gz AEQSJHTZHPJIGV-QKPAOTATSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001172120190 815310130 /nfs/dbraw/zinc/31/01/30/815310130.db2.gz AEQSJHTZHPJIGV-QKPAOTATSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001172120190 815310137 /nfs/dbraw/zinc/31/01/37/815310137.db2.gz AEQSJHTZHPJIGV-QKPAOTATSA-N 2 1 266.429 2.359 20 0 CEADMP Cn1nc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1Cl ZINC000706156166 809806476 /nfs/dbraw/zinc/80/64/76/809806476.db2.gz WAIDWJMBYKKFLG-ZDUSSCGKSA-N 2 1 296.846 2.285 20 0 CEADMP Cn1nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1Cl ZINC000706156166 809806482 /nfs/dbraw/zinc/80/64/82/809806482.db2.gz WAIDWJMBYKKFLG-ZDUSSCGKSA-N 2 1 296.846 2.285 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cc(Cl)n(C)n2)[C@@H]1CCC[NH3+] ZINC000706156661 809806662 /nfs/dbraw/zinc/80/66/62/809806662.db2.gz YZKOSLNPBHAVSK-DGCLKSJQSA-N 2 1 284.835 2.413 20 0 CEADMP c1c(C[N@H+]2CC[C@@]3(CCOC3)C2)sc2c1C[NH2+]CC2 ZINC000707242609 809894374 /nfs/dbraw/zinc/89/43/74/809894374.db2.gz SXHNEXGPDUTEPE-OAHLLOKOSA-N 2 1 278.421 2.006 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000708334801 809926416 /nfs/dbraw/zinc/92/64/16/809926416.db2.gz ALWVVVJGHDAXIB-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC(C)(C)CO2)[C@@H]1CC[NH3+] ZINC000708349062 809927030 /nfs/dbraw/zinc/92/70/30/809927030.db2.gz PQMKMWPQNLIBEO-MGPQQGTHSA-N 2 1 254.418 2.251 20 0 CEADMP CC1(C)CO[C@H](C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000708340529 809927317 /nfs/dbraw/zinc/92/73/17/809927317.db2.gz KDSKSTBXSKOJQA-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000708340529 809927320 /nfs/dbraw/zinc/92/73/20/809927320.db2.gz KDSKSTBXSKOJQA-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)(C)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000708432706 809930924 /nfs/dbraw/zinc/93/09/24/809930924.db2.gz JDKDAZRUGFPJSL-GJZGRUSLSA-N 2 1 268.445 2.201 20 0 CEADMP CC1(C)C[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C(C)(C)O1 ZINC000709703926 809953743 /nfs/dbraw/zinc/95/37/43/809953743.db2.gz VEHFHTVOTMLZHX-MJBXVCDLSA-N 2 1 266.429 2.264 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C(C)(C)O1 ZINC000709703926 809953746 /nfs/dbraw/zinc/95/37/46/809953746.db2.gz VEHFHTVOTMLZHX-MJBXVCDLSA-N 2 1 266.429 2.264 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000709731843 809955344 /nfs/dbraw/zinc/95/53/44/809955344.db2.gz GASHDLSYVOANAF-GFCCVEGCSA-N 2 1 254.418 2.264 20 0 CEADMP c1cn2c(n1)CC[N@@H+]([C@@H]1CSc3ccccc3C1)CC2 ZINC001172205277 815332629 /nfs/dbraw/zinc/33/26/29/815332629.db2.gz ICEDNYDMAGDEOY-AWEZNQCLSA-N 2 1 285.416 2.458 20 0 CEADMP CCc1noc(C)c1C[N@@H+](C)CCCCCC[NH3+] ZINC000710817741 809994157 /nfs/dbraw/zinc/99/41/57/809994157.db2.gz CNLRKJRUTBBUNU-UHFFFAOYSA-N 2 1 253.390 2.496 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)C1CCCCC1 ZINC000923371652 810089338 /nfs/dbraw/zinc/08/93/38/810089338.db2.gz CVZUJXAQWSRSRI-QZTJIDSGSA-N 2 1 290.451 2.477 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000923359167 810089381 /nfs/dbraw/zinc/08/93/81/810089381.db2.gz OFGIGHSOUSYKTO-RCCFBDPRSA-N 2 1 288.435 2.432 20 0 CEADMP CCCCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001273178944 810095641 /nfs/dbraw/zinc/09/56/41/810095641.db2.gz FNHDOSCADQCMOV-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000923506912 810104269 /nfs/dbraw/zinc/10/42/69/810104269.db2.gz HILGMRNTZNGWFE-HIFRSBDPSA-N 2 1 289.423 2.159 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1C[C@@H]3C=C[C@H](C1)O3)C2 ZINC001172233981 815345809 /nfs/dbraw/zinc/34/58/09/815345809.db2.gz RVLMKGAAWDRALO-DOPIXRMISA-N 2 1 262.397 2.077 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1C[C@@H]3C=C[C@H](C1)O3)C2 ZINC001172233981 815345815 /nfs/dbraw/zinc/34/58/15/815345815.db2.gz RVLMKGAAWDRALO-DOPIXRMISA-N 2 1 262.397 2.077 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1C[C@@H]3C=C[C@H](C1)O3)C2 ZINC001172237152 815353865 /nfs/dbraw/zinc/35/38/65/815353865.db2.gz RVLMKGAAWDRALO-SDODBCEQSA-N 2 1 262.397 2.077 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1C[C@@H]3C=C[C@H](C1)O3)C2 ZINC001172237152 815353872 /nfs/dbraw/zinc/35/38/72/815353872.db2.gz RVLMKGAAWDRALO-SDODBCEQSA-N 2 1 262.397 2.077 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1OC ZINC001206163799 815358864 /nfs/dbraw/zinc/35/88/64/815358864.db2.gz GANCOBIHFZPPRS-ZIAGYGMSSA-N 2 1 296.386 2.355 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1OC ZINC001206163799 815358871 /nfs/dbraw/zinc/35/88/71/815358871.db2.gz GANCOBIHFZPPRS-ZIAGYGMSSA-N 2 1 296.386 2.355 20 0 CEADMP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)C(C)C)C1)[NH+](C)C ZINC001017145688 810495630 /nfs/dbraw/zinc/49/56/30/810495630.db2.gz KXWGJGONRHTJPW-HOTGVXAUSA-N 2 1 297.487 2.151 20 0 CEADMP CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001017656812 810539993 /nfs/dbraw/zinc/53/99/93/810539993.db2.gz VZVCLVQGSOMCMZ-LVQVYYBASA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001019068851 810675856 /nfs/dbraw/zinc/67/58/56/810675856.db2.gz PRGFDYDFYIIDHM-AWEZNQCLSA-N 2 1 295.471 2.238 20 0 CEADMP COc1cc2[nH+]ccn2cc1NCC(C)(C)C[NH+](C)C ZINC001168769440 810719303 /nfs/dbraw/zinc/71/93/03/810719303.db2.gz SRTMOZDWXMHOSL-UHFFFAOYSA-N 2 1 276.384 2.343 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000691408948 810719701 /nfs/dbraw/zinc/71/97/01/810719701.db2.gz YFNSYHDJCPOOGC-BBWFWOEESA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCS[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000721420218 810805456 /nfs/dbraw/zinc/80/54/56/810805456.db2.gz JGAMQMJHIHPLOI-VWYCJHECSA-N 2 1 282.375 2.354 20 0 CEADMP COC(=O)c1c(C)cc(C)[nH+]c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001154986381 810882797 /nfs/dbraw/zinc/88/27/97/810882797.db2.gz SDEZGTWNQCXKBI-NWDGAFQWSA-N 2 1 277.368 2.167 20 0 CEADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC=C(C)C ZINC001039046683 810974399 /nfs/dbraw/zinc/97/43/99/810974399.db2.gz AVVWSIZJWUXOJH-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CC=C(C)C ZINC001039046683 810974405 /nfs/dbraw/zinc/97/44/05/810974405.db2.gz AVVWSIZJWUXOJH-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC=C(C)C ZINC001039046683 810974411 /nfs/dbraw/zinc/97/44/11/810974411.db2.gz AVVWSIZJWUXOJH-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC=C(C)C ZINC001039046683 810974415 /nfs/dbraw/zinc/97/44/15/810974415.db2.gz AVVWSIZJWUXOJH-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CCOCC[C@@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001172415824 815413038 /nfs/dbraw/zinc/41/30/38/815413038.db2.gz ICXZQCUBOPVJJS-CQSZACIVSA-N 3 1 287.492 2.277 20 0 CEADMP CCOCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172415503 815413295 /nfs/dbraw/zinc/41/32/95/815413295.db2.gz WEXFUNABONOMJF-XQLPTFJDSA-N 2 1 254.418 2.406 20 0 CEADMP CCOCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172415503 815413298 /nfs/dbraw/zinc/41/32/98/815413298.db2.gz WEXFUNABONOMJF-XQLPTFJDSA-N 2 1 254.418 2.406 20 0 CEADMP CCOCC[C@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001172434331 815424003 /nfs/dbraw/zinc/42/40/03/815424003.db2.gz VPCKARCYSURSEH-LBPRGKRZSA-N 2 1 251.374 2.338 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CCOCC(C)C)C[C@@H]2C1 ZINC001172482404 815433206 /nfs/dbraw/zinc/43/32/06/815433206.db2.gz YJUOQNCOKALYHS-OAGGEKHMSA-N 2 1 268.445 2.321 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CCOCC(C)C)C[C@@H]2C1 ZINC001172482404 815433209 /nfs/dbraw/zinc/43/32/09/815433209.db2.gz YJUOQNCOKALYHS-OAGGEKHMSA-N 2 1 268.445 2.321 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CCOCC(C)C)C[C@@H]2C1 ZINC001172482404 815433211 /nfs/dbraw/zinc/43/32/11/815433211.db2.gz YJUOQNCOKALYHS-OAGGEKHMSA-N 2 1 268.445 2.321 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CCC(C)([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001168822102 811257001 /nfs/dbraw/zinc/25/70/01/811257001.db2.gz HNOGRXXGMOACKI-OLZOCXBDSA-N 2 1 297.443 2.198 20 0 CEADMP CC(C)COCC[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172484499 815434719 /nfs/dbraw/zinc/43/47/19/815434719.db2.gz QOSGTVMLLGJLQA-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@H](C)CC)C1 ZINC001042848420 811332713 /nfs/dbraw/zinc/33/27/13/811332713.db2.gz NYUSANBXAQKSAE-GDBMZVCRSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CCO)c1ccccc1)C2 ZINC001169092736 811363139 /nfs/dbraw/zinc/36/31/39/811363139.db2.gz CMTGCDAWOKWOSI-NXOAAHMSSA-N 2 1 274.408 2.325 20 0 CEADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169101280 811372135 /nfs/dbraw/zinc/37/21/35/811372135.db2.gz QLUWFPWOEAVWHR-HCAJQNDMSA-N 2 1 294.439 2.323 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cnc3ccccn13)C2 ZINC001169081818 811380229 /nfs/dbraw/zinc/38/02/29/811380229.db2.gz XAZBNZCPAXARPQ-ZSOGYDGISA-N 2 1 270.380 2.049 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cnc3ccccn13)C2 ZINC001169081818 811380236 /nfs/dbraw/zinc/38/02/36/811380236.db2.gz XAZBNZCPAXARPQ-ZSOGYDGISA-N 2 1 270.380 2.049 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091826 811381858 /nfs/dbraw/zinc/38/18/58/811381858.db2.gz VWBDBISPTYOUFF-XDQVBPFNSA-N 2 1 297.443 2.114 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cnn3ccccc13)C2 ZINC001169124000 811393069 /nfs/dbraw/zinc/39/30/69/811393069.db2.gz OVYPRXZZQVALDU-QDMKHBRRSA-N 2 1 270.380 2.049 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cnn3ccccc13)C2 ZINC001169124000 811393077 /nfs/dbraw/zinc/39/30/77/811393077.db2.gz OVYPRXZZQVALDU-QDMKHBRRSA-N 2 1 270.380 2.049 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3c(O)cccc3C1)C2 ZINC001169126568 811397293 /nfs/dbraw/zinc/39/72/93/811397293.db2.gz WLYOXPPHTIGRJA-FICVDOATSA-N 2 1 272.392 2.376 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3c(O)cccc3C1)C2 ZINC001169126568 811397301 /nfs/dbraw/zinc/39/73/01/811397301.db2.gz WLYOXPPHTIGRJA-FICVDOATSA-N 2 1 272.392 2.376 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCc3c(O)cccc3C1)C2 ZINC001169126568 811397317 /nfs/dbraw/zinc/39/73/17/811397317.db2.gz WLYOXPPHTIGRJA-FICVDOATSA-N 2 1 272.392 2.376 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCc3c(O)cccc3C1)C2 ZINC001169126568 811397325 /nfs/dbraw/zinc/39/73/25/811397325.db2.gz WLYOXPPHTIGRJA-FICVDOATSA-N 2 1 272.392 2.376 20 0 CEADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172457154 815444696 /nfs/dbraw/zinc/44/46/96/815444696.db2.gz RVTHRQQNYWGSJT-GJZGRUSLSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)OCC[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001172457154 815444699 /nfs/dbraw/zinc/44/46/99/815444699.db2.gz RVTHRQQNYWGSJT-GJZGRUSLSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)OCC[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001172457154 815444701 /nfs/dbraw/zinc/44/47/01/815444701.db2.gz RVTHRQQNYWGSJT-GJZGRUSLSA-N 2 1 254.418 2.218 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169109543 811404538 /nfs/dbraw/zinc/40/45/38/811404538.db2.gz DBQGMQUODNWIKT-JKJDWNRSSA-N 2 1 294.439 2.323 20 0 CEADMP C[N@@H+](CCc1ccncc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140741 811405273 /nfs/dbraw/zinc/40/52/73/811405273.db2.gz LREFSZQDFQZXAZ-ZSHCYNCHSA-N 2 1 259.397 2.181 20 0 CEADMP C[NH+](CCc1ccncc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169140741 811405277 /nfs/dbraw/zinc/40/52/77/811405277.db2.gz LREFSZQDFQZXAZ-ZSHCYNCHSA-N 2 1 259.397 2.181 20 0 CEADMP C[NH+](CCc1ccncc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140741 811405280 /nfs/dbraw/zinc/40/52/80/811405280.db2.gz LREFSZQDFQZXAZ-ZSHCYNCHSA-N 2 1 259.397 2.181 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@](C)(CO)c1ccccc1)C2 ZINC001169114901 811405340 /nfs/dbraw/zinc/40/53/40/811405340.db2.gz ZMUNIUCAPPFHGK-NXOAAHMSSA-N 2 1 274.408 2.109 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@](C)(CO)c1ccccc1)C2 ZINC001169114901 811405342 /nfs/dbraw/zinc/40/53/42/811405342.db2.gz ZMUNIUCAPPFHGK-NXOAAHMSSA-N 2 1 274.408 2.109 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N(CC[NH3+])c1ccc(F)cc1)C2 ZINC001169115025 811406299 /nfs/dbraw/zinc/40/62/99/811406299.db2.gz GZPFQOZCABKZON-ZSHCYNCHSA-N 2 1 277.387 2.216 20 0 CEADMP CCN(CC[NH+](CC)CC)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169141333 811408437 /nfs/dbraw/zinc/40/84/37/811408437.db2.gz PTFIAPVTQDCAEF-MUJYYYPQSA-N 2 1 267.461 2.275 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(c3ncccn3)CC1)C2 ZINC001169146524 811411466 /nfs/dbraw/zinc/41/14/66/811411466.db2.gz QGCFFUWISIEYIG-MUJYYYPQSA-N 2 1 286.423 2.281 20 0 CEADMP Cc1ccc(CN(C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169153885 811414009 /nfs/dbraw/zinc/41/40/09/811414009.db2.gz LRODGSCMHJVZAG-MUJYYYPQSA-N 2 1 259.397 2.447 20 0 CEADMP CC[NH+]1CCC([NH2+]C2(COC)Cc3ccccc3C2)CC1 ZINC001169244218 811460056 /nfs/dbraw/zinc/46/00/56/811460056.db2.gz IMJAITQOTJCYNE-UHFFFAOYSA-N 2 1 288.435 2.244 20 0 CEADMP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001044336889 811472425 /nfs/dbraw/zinc/47/24/25/811472425.db2.gz XBXQHFBVHHLVDH-GDBMZVCRSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(N)c(F)c2)CCC[C@@H]1C[NH3+] ZINC001206022845 811687730 /nfs/dbraw/zinc/68/77/30/811687730.db2.gz DCEBWGZMVJYLIW-DGCLKSJQSA-N 2 1 265.376 2.215 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC3(C2)OCCO3)[C@H](C)C1 ZINC001169934731 811716037 /nfs/dbraw/zinc/71/60/37/811716037.db2.gz FIKCCKXQWFRRHY-OWCLPIDISA-N 2 1 296.455 2.381 20 0 CEADMP Cc1cnc(F)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206025659 811717594 /nfs/dbraw/zinc/71/75/94/811717594.db2.gz ORISVMFIVXLOGG-QWHCGFSZSA-N 2 1 265.376 2.336 20 0 CEADMP c1[nH+]cn([C@H]2CCCC3(C2)OCCO3)c1C1CC[NH2+]CC1 ZINC001169958156 811726637 /nfs/dbraw/zinc/72/66/37/811726637.db2.gz FNVNJOUDBBIJGD-AWEZNQCLSA-N 2 1 291.395 2.208 20 0 CEADMP CCC[N@H+]1CC[C@](C)(NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001046414443 811750631 /nfs/dbraw/zinc/75/06/31/811750631.db2.gz HTBNEALBQBCNOE-INIZCTEOSA-N 2 1 286.379 2.167 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3cncn32)CCC[C@H]1C[NH3+] ZINC001206026482 811807918 /nfs/dbraw/zinc/80/79/18/811807918.db2.gz SIAAFHONFDFJNE-KBPBESRZSA-N 2 1 272.396 2.141 20 0 CEADMP C[C@H]1C[N@H+](Cc2cccc3c[nH+]cn32)CCC[C@H]1C[NH3+] ZINC001206026482 811807927 /nfs/dbraw/zinc/80/79/27/811807927.db2.gz SIAAFHONFDFJNE-KBPBESRZSA-N 3 1 272.396 2.141 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3c[nH+]cn32)CCC[C@H]1C[NH3+] ZINC001206026482 811807938 /nfs/dbraw/zinc/80/79/38/811807938.db2.gz SIAAFHONFDFJNE-KBPBESRZSA-N 3 1 272.396 2.141 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169978611 811823511 /nfs/dbraw/zinc/82/35/11/811823511.db2.gz YENDSEFNQOYUES-AWEZNQCLSA-N 2 1 283.460 2.471 20 0 CEADMP CN(c1ccc([C@@H]2CC[N@@H+](C)C2)cc1)C(C)(C)C[NH3+] ZINC001170060077 812015689 /nfs/dbraw/zinc/01/56/89/812015689.db2.gz FQRAZFKDWUEBEP-CQSZACIVSA-N 2 1 261.413 2.279 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001172751687 815503546 /nfs/dbraw/zinc/50/35/46/815503546.db2.gz YEYDZEPGAMDBGR-MGPQQGTHSA-N 2 1 270.417 2.037 20 0 CEADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001172751687 815503549 /nfs/dbraw/zinc/50/35/49/815503549.db2.gz YEYDZEPGAMDBGR-MGPQQGTHSA-N 2 1 270.417 2.037 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001112961560 812126576 /nfs/dbraw/zinc/12/65/76/812126576.db2.gz BOTKYFITPVJATE-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172715137 815504963 /nfs/dbraw/zinc/50/49/63/815504963.db2.gz FRDNVUALHKYUQT-QMTHXVAHSA-N 2 1 252.789 2.334 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(=O)OC)CC2)CC1 ZINC001172767641 815513275 /nfs/dbraw/zinc/51/32/75/815513275.db2.gz IYNKDTYHBNJJDC-KBPBESRZSA-N 2 1 282.428 2.182 20 0 CEADMP CCOC(=O)[C@H]1CCCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254529535 812442578 /nfs/dbraw/zinc/44/25/78/812442578.db2.gz NJMINUFDHVIXJH-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@H]1CCCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254529535 812442586 /nfs/dbraw/zinc/44/25/86/812442586.db2.gz NJMINUFDHVIXJH-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@H]1CCCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254529535 812442593 /nfs/dbraw/zinc/44/25/93/812442593.db2.gz NJMINUFDHVIXJH-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254528583 812443207 /nfs/dbraw/zinc/44/32/07/812443207.db2.gz HMTSZSMJYUJXEN-HOCLYGCPSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254528583 812443213 /nfs/dbraw/zinc/44/32/13/812443213.db2.gz HMTSZSMJYUJXEN-HOCLYGCPSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254528583 812443216 /nfs/dbraw/zinc/44/32/16/812443216.db2.gz HMTSZSMJYUJXEN-HOCLYGCPSA-N 2 1 282.428 2.136 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130188739 812541099 /nfs/dbraw/zinc/54/10/99/812541099.db2.gz IKQBGTWWHWEILY-CVEARBPZSA-N 2 1 295.471 2.145 20 0 CEADMP CO[C@@H]1CCC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC001172934397 815552618 /nfs/dbraw/zinc/55/26/18/815552618.db2.gz AVTUIIPYHYUMNJ-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[N@H+]1CC1CCC1 ZINC001132249461 812810624 /nfs/dbraw/zinc/81/06/24/812810624.db2.gz PDSZSKPHIXFONY-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC=C(C)C)C1 ZINC001132411455 812846406 /nfs/dbraw/zinc/84/64/06/812846406.db2.gz ZTOKOJWSCXTNQF-JKSUJKDBSA-N 2 1 295.471 2.264 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC=C(C)C)C1 ZINC001132411455 812846413 /nfs/dbraw/zinc/84/64/13/812846413.db2.gz ZTOKOJWSCXTNQF-JKSUJKDBSA-N 2 1 295.471 2.264 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132411455 812846422 /nfs/dbraw/zinc/84/64/22/812846422.db2.gz ZTOKOJWSCXTNQF-JKSUJKDBSA-N 2 1 295.471 2.264 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132517353 812872320 /nfs/dbraw/zinc/87/23/20/812872320.db2.gz BFEZCGQNQIKBPL-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCC2)C1 ZINC001132517353 812872330 /nfs/dbraw/zinc/87/23/30/812872330.db2.gz BFEZCGQNQIKBPL-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCC[C@H](OC)C3)C[C@@H]2C1 ZINC001172951322 815562721 /nfs/dbraw/zinc/56/27/21/815562721.db2.gz QCPIWKULPZNTRP-QXSJWSMHSA-N 2 1 266.429 2.218 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCC[C@H](OC)C3)C[C@@H]2C1 ZINC001172951322 815562723 /nfs/dbraw/zinc/56/27/23/815562723.db2.gz QCPIWKULPZNTRP-QXSJWSMHSA-N 2 1 266.429 2.218 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCC[C@H](OC)C3)C[C@@H]2C1 ZINC001172951322 815562725 /nfs/dbraw/zinc/56/27/25/815562725.db2.gz QCPIWKULPZNTRP-QXSJWSMHSA-N 2 1 266.429 2.218 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]CCCC(C)C)C1 ZINC001132737815 812935591 /nfs/dbraw/zinc/93/55/91/812935591.db2.gz QVSFTVKGHWRONM-INIZCTEOSA-N 2 1 297.487 2.250 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052496338 812999999 /nfs/dbraw/zinc/99/99/99/812999999.db2.gz WGAMUFBAGCPYSF-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001052496338 813000007 /nfs/dbraw/zinc/00/00/07/813000007.db2.gz WGAMUFBAGCPYSF-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001052496338 813000015 /nfs/dbraw/zinc/00/00/15/813000015.db2.gz WGAMUFBAGCPYSF-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]C(C)C)C1 ZINC001133261902 813019831 /nfs/dbraw/zinc/01/98/31/813019831.db2.gz DHZWUFRFODBRAK-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP CCCOC1CCC([N@H+](CCC[NH3+])CCC[NH+](C)C)CC1 ZINC001173092695 815574856 /nfs/dbraw/zinc/57/48/56/815574856.db2.gz AWWVTHGIZCVLMK-UHFFFAOYSA-N 3 1 299.503 2.327 20 0 CEADMP CCCOC1CCC([N@@H+](CCC[NH3+])CCC[NH+](C)C)CC1 ZINC001173092695 815574861 /nfs/dbraw/zinc/57/48/61/815574861.db2.gz AWWVTHGIZCVLMK-UHFFFAOYSA-N 3 1 299.503 2.327 20 0 CEADMP CCCOC1CCC([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC001173100520 815579282 /nfs/dbraw/zinc/57/92/82/815579282.db2.gz MCGVVQDHYPVSOU-PJPHBNEVSA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)[C@@H](C(=O)N1CCC[N@H+](C(C)C)CC1)[NH+]1CCCC1 ZINC000068777231 813143405 /nfs/dbraw/zinc/14/34/05/813143405.db2.gz VRAONSIOKVNECU-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170731707 813218178 /nfs/dbraw/zinc/21/81/78/813218178.db2.gz SMVHUTWDMAJSSF-QKDCVEJESA-N 2 1 266.429 2.121 20 0 CEADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170757634 813291381 /nfs/dbraw/zinc/29/13/81/813291381.db2.gz LOFQTRIFTOPZBR-QKDCVEJESA-N 2 1 296.455 2.238 20 0 CEADMP CC/C=C/CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134763190 813322299 /nfs/dbraw/zinc/32/22/99/813322299.db2.gz PGUILYGRSXLJFA-JFDDCEBESA-N 2 1 295.471 2.311 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(C)C ZINC001170784754 813354062 /nfs/dbraw/zinc/35/40/62/813354062.db2.gz KYSHDLOLUWLHOS-MRXNPFEDSA-N 2 1 297.487 2.393 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000396686949 813581248 /nfs/dbraw/zinc/58/12/48/813581248.db2.gz YRZUUPKKQDGLNN-JQHSSLGASA-N 2 1 287.451 2.381 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001246022137 813663748 /nfs/dbraw/zinc/66/37/48/813663748.db2.gz OWPOLDOXZGESKC-HZPDHXFCSA-N 2 1 262.397 2.171 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H](C)C2)C[C@H](CC)[NH2+]1 ZINC001246102583 813693890 /nfs/dbraw/zinc/69/38/90/813693890.db2.gz RPQAPRWNJWVXSI-GVRJEKJASA-N 3 1 267.461 2.131 20 0 CEADMP CCCC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246106193 813699790 /nfs/dbraw/zinc/69/97/90/813699790.db2.gz DRWNXAAKURGVII-XHSDSOJGSA-N 3 1 267.461 2.277 20 0 CEADMP CC[C@@H]1CC([NH2+]C2(C)CC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246125787 813708409 /nfs/dbraw/zinc/70/84/09/813708409.db2.gz GYSOTLNFYROEKH-CHWSQXEVSA-N 3 1 253.434 2.027 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCC ZINC001099321224 814001206 /nfs/dbraw/zinc/00/12/06/814001206.db2.gz RBTWJNXZSIQIOK-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC ZINC001099321224 814001212 /nfs/dbraw/zinc/00/12/12/814001212.db2.gz RBTWJNXZSIQIOK-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC ZINC001099321224 814001217 /nfs/dbraw/zinc/00/12/17/814001217.db2.gz RBTWJNXZSIQIOK-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP [NH3+]C[C@@]1(F)CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC001246551162 814011187 /nfs/dbraw/zinc/01/11/87/814011187.db2.gz PFJCPUIVXCAMPV-MRXNPFEDSA-N 2 1 262.372 2.307 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001255957945 814062517 /nfs/dbraw/zinc/06/25/17/814062517.db2.gz XHINCGPCUREYDB-CHWSQXEVSA-N 2 1 296.377 2.354 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001255957945 814062522 /nfs/dbraw/zinc/06/25/22/814062522.db2.gz XHINCGPCUREYDB-CHWSQXEVSA-N 2 1 296.377 2.354 20 0 CEADMP CCC[NH+]1CCC([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246567533 814065968 /nfs/dbraw/zinc/06/59/68/814065968.db2.gz LLWYHDVWDBWPQQ-LSDHHAIUSA-N 3 1 267.461 2.168 20 0 CEADMP CCCN1CCC([N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246567533 814065976 /nfs/dbraw/zinc/06/59/76/814065976.db2.gz LLWYHDVWDBWPQQ-LSDHHAIUSA-N 2 1 267.461 2.168 20 0 CEADMP CCCN1CCC([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246567533 814065983 /nfs/dbraw/zinc/06/59/83/814065983.db2.gz LLWYHDVWDBWPQQ-LSDHHAIUSA-N 2 1 267.461 2.168 20 0 CEADMP CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001100383095 814105721 /nfs/dbraw/zinc/10/57/21/814105721.db2.gz LDNHUPALANHNOH-UYSNPLJNSA-N 2 1 295.471 2.145 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246583789 814166752 /nfs/dbraw/zinc/16/67/52/814166752.db2.gz RZOOMWHECXIEMM-KBPBESRZSA-N 2 1 270.417 2.169 20 0 CEADMP COc1ccc(C(C)(C)C[NH2+]C2CC[NH+](C)CC2)nc1 ZINC001256201623 814182624 /nfs/dbraw/zinc/18/26/24/814182624.db2.gz OAEPRMVBOHAVST-UHFFFAOYSA-N 2 1 277.412 2.052 20 0 CEADMP CCCC[C@H](CC(C)C)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246631071 814229891 /nfs/dbraw/zinc/22/98/91/814229891.db2.gz RAZWJPGQAQJHRO-HZPDHXFCSA-N 2 1 267.461 2.229 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@]23CC[NH2+]C3)CCO1 ZINC001246644806 814242491 /nfs/dbraw/zinc/24/24/91/814242491.db2.gz RXKBYNPKZASREV-RRFJBIMHSA-N 2 1 252.402 2.162 20 0 CEADMP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146332731 814274579 /nfs/dbraw/zinc/27/45/79/814274579.db2.gz JSFQGWYNLMVUIN-KGLIPLIRSA-N 2 1 292.427 2.031 20 0 CEADMP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146603000 814299543 /nfs/dbraw/zinc/29/95/43/814299543.db2.gz VGTLOMUGGUCDPU-CABCVRRESA-N 2 1 285.476 2.246 20 0 CEADMP C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246911079 814384431 /nfs/dbraw/zinc/38/44/31/814384431.db2.gz PDCZIWKKZMZNLY-TUVASFSCSA-N 3 1 267.461 2.355 20 0 CEADMP CCCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001147358967 814428395 /nfs/dbraw/zinc/42/83/95/814428395.db2.gz KGONBJJYVSOGLK-HNNXBMFYSA-N 2 1 283.460 2.147 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](C)CC ZINC001147359145 814428452 /nfs/dbraw/zinc/42/84/52/814428452.db2.gz MALXWGPRSCQHRI-HZPDHXFCSA-N 2 1 297.487 2.393 20 0 CEADMP CCCCC[N@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174624 814533054 /nfs/dbraw/zinc/53/30/54/814533054.db2.gz RRBWXEGLOJOGOZ-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]C[C@H](C)CC(C)C ZINC001148572837 814589245 /nfs/dbraw/zinc/58/92/45/814589245.db2.gz NEVBRCVOCHMDKX-OAHLLOKOSA-N 2 1 285.476 2.106 20 0 CEADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857993 814621704 /nfs/dbraw/zinc/62/17/04/814621704.db2.gz IZJCSSGFUYCBDO-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP CCn1cc(C[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000693666436 814627550 /nfs/dbraw/zinc/62/75/50/814627550.db2.gz HKTZYXOJSLUXQY-VHRNVKJDSA-N 2 1 276.428 2.256 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@](F)(CO)C2)CC1 ZINC001173110760 815582630 /nfs/dbraw/zinc/58/26/30/815582630.db2.gz WONOBHXUDIXBMC-YMAMQOFZSA-N 2 1 272.408 2.046 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC001173110527 815582951 /nfs/dbraw/zinc/58/29/51/815582951.db2.gz VDOCSKGLTJLLED-JCYILVPMSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712416946 814744462 /nfs/dbraw/zinc/74/44/62/814744462.db2.gz PGHAPVYXDWCNBJ-MELADBBJSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCCOC(F)(F)F)C[C@H]1C[NH3+] ZINC000713420510 814852473 /nfs/dbraw/zinc/85/24/73/814852473.db2.gz IFSWEQRPQDWVMM-OUAUKWLOSA-N 2 1 268.323 2.218 20 0 CEADMP CC1(C)CC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)OC1 ZINC000713569255 814864902 /nfs/dbraw/zinc/86/49/02/814864902.db2.gz ZLRRMGHIXLLCAA-SOUVJXGZSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H]1CCC(C)(C)CO1 ZINC000713595471 814866182 /nfs/dbraw/zinc/86/61/82/814866182.db2.gz GHNVVUWJKQMAHK-MELADBBJSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H]1CCC(C)(C)CO1 ZINC000713595471 814866188 /nfs/dbraw/zinc/86/61/88/814866188.db2.gz GHNVVUWJKQMAHK-MELADBBJSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000713597064 814867360 /nfs/dbraw/zinc/86/73/60/814867360.db2.gz QEYXWFGWMPWZAL-BFHYXJOUSA-N 2 1 254.418 2.251 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)O1 ZINC000714320498 814893823 /nfs/dbraw/zinc/89/38/23/814893823.db2.gz KBSIBISWTYJKPR-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)O1 ZINC000714332969 814894850 /nfs/dbraw/zinc/89/48/50/814894850.db2.gz YYQUQDHPBZJUQY-HOCLYGCPSA-N 2 1 266.429 2.410 20 0 CEADMP c1nc2c(s1)C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC001173129738 815591459 /nfs/dbraw/zinc/59/14/59/815591459.db2.gz SFTIBPWOCCJKMY-GFCCVEGCSA-N 2 1 277.437 2.217 20 0 CEADMP CC[N@H+](C)C1CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173145294 815604641 /nfs/dbraw/zinc/60/46/41/815604641.db2.gz KEWDWMXWWCASAJ-ZDUSSCGKSA-N 2 1 279.453 2.417 20 0 CEADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173145294 815604644 /nfs/dbraw/zinc/60/46/44/815604644.db2.gz KEWDWMXWWCASAJ-ZDUSSCGKSA-N 2 1 279.453 2.417 20 0 CEADMP CC[C@@H]1CC[C@@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)C1 ZINC001173267432 815645507 /nfs/dbraw/zinc/64/55/07/815645507.db2.gz LJNKHBMKKHIQLU-HUUCEWRRSA-N 3 1 255.450 2.168 20 0 CEADMP CC[C@@H]1CC[C@@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)C1 ZINC001173267432 815645511 /nfs/dbraw/zinc/64/55/11/815645511.db2.gz LJNKHBMKKHIQLU-HUUCEWRRSA-N 3 1 255.450 2.168 20 0 CEADMP CC[N@H+]1CC[C@@H](n2cc(C[NH3+])c3cccc(OC)c32)C1 ZINC001173353572 815694614 /nfs/dbraw/zinc/69/46/14/815694614.db2.gz OMLOTVKGTZDICE-CYBMUJFWSA-N 2 1 273.380 2.375 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173353665 815694951 /nfs/dbraw/zinc/69/49/51/815694951.db2.gz GJFKBJACEXAZMU-FVQBIDKESA-N 2 1 265.445 2.205 20 0 CEADMP CC[N@@H+]1CC[C@H](NC(=[NH2+])c2ccc(F)c(Cl)c2)C1 ZINC001173354836 815695698 /nfs/dbraw/zinc/69/56/98/815695698.db2.gz SZMYNLDGZRNAHP-JTQLQIEISA-N 2 1 269.751 2.488 20 0 CEADMP CC[N@H+]1CC[C@H](NC(=[NH2+])c2ccc(F)c(Cl)c2)C1 ZINC001173354836 815695703 /nfs/dbraw/zinc/69/57/03/815695703.db2.gz SZMYNLDGZRNAHP-JTQLQIEISA-N 2 1 269.751 2.488 20 0 CEADMP CC[N@@H+]1CC[C@@H](N(C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001173375238 815710064 /nfs/dbraw/zinc/71/00/64/815710064.db2.gz RSZOPJXYPAFHEI-QGZVFWFLSA-N 2 1 279.472 2.419 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001173375238 815710071 /nfs/dbraw/zinc/71/00/71/815710071.db2.gz RSZOPJXYPAFHEI-QGZVFWFLSA-N 2 1 279.472 2.419 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)C1 ZINC001173636029 815773579 /nfs/dbraw/zinc/77/35/79/815773579.db2.gz FJHCHRJLGXCAJM-RBSFLKMASA-N 2 1 282.428 2.182 20 0 CEADMP CO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138545497 815825307 /nfs/dbraw/zinc/82/53/07/815825307.db2.gz YDHXVJAOOHMAHD-MRXNPFEDSA-N 2 1 271.364 2.401 20 0 CEADMP CO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138545497 815825314 /nfs/dbraw/zinc/82/53/14/815825314.db2.gz YDHXVJAOOHMAHD-MRXNPFEDSA-N 2 1 271.364 2.401 20 0 CEADMP CCN1CC[NH+](Cc2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC001173883855 815850848 /nfs/dbraw/zinc/85/08/48/815850848.db2.gz XLDAXYSUNDWMRX-UHFFFAOYSA-N 2 1 296.418 2.385 20 0 CEADMP COCC[N@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140022274 816168388 /nfs/dbraw/zinc/16/83/88/816168388.db2.gz CNCQXCRLUWOPAO-UHFFFAOYSA-N 2 1 259.353 2.259 20 0 CEADMP COCC[N@@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140022274 816168393 /nfs/dbraw/zinc/16/83/93/816168393.db2.gz CNCQXCRLUWOPAO-UHFFFAOYSA-N 2 1 259.353 2.259 20 0 CEADMP CC[N@@H+](Cc1ccc2n[nH]cc2c1)C1CCN(C)CC1 ZINC001140386718 816249398 /nfs/dbraw/zinc/24/93/98/816249398.db2.gz JANBZWHFTSKVKQ-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3n[nH]cc3c2)CC1 ZINC001140387812 816249649 /nfs/dbraw/zinc/24/96/49/816249649.db2.gz UQKNAVQXDLLTEP-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3n[nH]cc3c2)CC1 ZINC001140387812 816249654 /nfs/dbraw/zinc/24/96/54/816249654.db2.gz UQKNAVQXDLLTEP-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]C(C)C ZINC001176023891 816326577 /nfs/dbraw/zinc/32/65/77/816326577.db2.gz LHGRIDPJSGELHK-CQSZACIVSA-N 2 1 271.449 2.001 20 0 CEADMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001176132967 816345728 /nfs/dbraw/zinc/34/57/28/816345728.db2.gz NHCXJIBKJSCPLO-UHFFFAOYSA-N 2 1 294.443 2.114 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001140802410 816364034 /nfs/dbraw/zinc/36/40/34/816364034.db2.gz UZYKAXORBPYYHL-OAHLLOKOSA-N 2 1 257.337 2.318 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001140802410 816364042 /nfs/dbraw/zinc/36/40/42/816364042.db2.gz UZYKAXORBPYYHL-OAHLLOKOSA-N 2 1 257.337 2.318 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](Cc3[nH]cc(C)c3C)C[C@@H]2C1 ZINC001140864610 816386588 /nfs/dbraw/zinc/38/65/88/816386588.db2.gz YVPWIADVXGWCIR-GJZGRUSLSA-N 2 1 261.413 2.405 20 0 CEADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176564019 816441103 /nfs/dbraw/zinc/44/11/03/816441103.db2.gz JWBHEKWIRIDKNQ-GJZGRUSLSA-N 2 1 283.460 2.003 20 0 CEADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176564110 816443077 /nfs/dbraw/zinc/44/30/77/816443077.db2.gz LPEFDZHFXXGLRO-HZPDHXFCSA-N 2 1 295.471 2.169 20 0 CEADMP C[NH+](C)CCO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001206277717 816451313 /nfs/dbraw/zinc/45/13/13/816451313.db2.gz FGLXZRKCMGSBAU-PIIMJCKOSA-N 2 1 288.435 2.475 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ncccc2F)CC1 ZINC001206304697 816568983 /nfs/dbraw/zinc/56/89/83/816568983.db2.gz OEBQXCXGCGCIEN-CQSZACIVSA-N 2 1 251.349 2.172 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1N ZINC001206311180 816654538 /nfs/dbraw/zinc/65/45/38/816654538.db2.gz KRPQOMSTHPRMNC-INIZCTEOSA-N 2 1 277.412 2.228 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)CC1 ZINC001206317766 816690496 /nfs/dbraw/zinc/69/04/96/816690496.db2.gz IGIUMNXHHMWHDT-MRXNPFEDSA-N 3 1 293.480 2.345 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@H]1CCCCO1 ZINC001178295001 816716883 /nfs/dbraw/zinc/71/68/83/816716883.db2.gz IYMDXPKFGLPBFU-CQSZACIVSA-N 2 1 263.385 2.196 20 0 CEADMP C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cn2ccnc2)cc1 ZINC001178696652 816783956 /nfs/dbraw/zinc/78/39/56/816783956.db2.gz KZYHBKFTLUHRGG-MRXNPFEDSA-N 2 1 298.390 2.354 20 0 CEADMP C[NH+]1C(C)(C)CC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001178703055 816788398 /nfs/dbraw/zinc/78/83/98/816788398.db2.gz ZPQDEQIADNLFLS-CQSZACIVSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCCCC[NH2+]CC)C1 ZINC001179358092 816853174 /nfs/dbraw/zinc/85/31/74/816853174.db2.gz VAVXDRKOSBGIPU-INIZCTEOSA-N 2 1 297.487 2.395 20 0 CEADMP C[C@H]1CCC[N@H+]1CC(=O)NCCCCCC[NH2+]CC1CC1 ZINC001179580900 816885702 /nfs/dbraw/zinc/88/57/02/816885702.db2.gz VFBSZGQVDPBMAR-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CCC(COC)CC2)CC1 ZINC000449062420 282084870 /nfs/dbraw/zinc/08/48/70/282084870.db2.gz JJKQVQSODWMHFF-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]C1CC1)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449083924 282093353 /nfs/dbraw/zinc/09/33/53/282093353.db2.gz DQPFHEWEVVXMCP-QLFBSQMISA-N 2 1 295.471 2.001 20 0 CEADMP COc1ccccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000082569802 178104367 /nfs/dbraw/zinc/10/43/67/178104367.db2.gz ISFYNAIBGPIEFG-UHFFFAOYSA-N 2 1 260.381 2.271 20 0 CEADMP C[C@H](CCO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000121311119 365550095 /nfs/dbraw/zinc/55/00/95/365550095.db2.gz LRTNFWRHYKWEOQ-OAHLLOKOSA-N 2 1 276.424 2.054 20 0 CEADMP C[N@H+](CCOc1ccccc1)CC[C@H]1CCC[NH+]1C ZINC000124667249 187148325 /nfs/dbraw/zinc/14/83/25/187148325.db2.gz PMRPLNWMTXPLES-OAHLLOKOSA-N 2 1 262.397 2.482 20 0 CEADMP C[N@@H+](CCOc1ccccc1)CC[C@H]1CCC[NH+]1C ZINC000124667249 187148326 /nfs/dbraw/zinc/14/83/26/187148326.db2.gz PMRPLNWMTXPLES-OAHLLOKOSA-N 2 1 262.397 2.482 20 0 CEADMP C[NH+](CCOc1ccccc1)CC[C@H]1CCC[N@@H+]1C ZINC000124667249 187148327 /nfs/dbraw/zinc/14/83/27/187148327.db2.gz PMRPLNWMTXPLES-OAHLLOKOSA-N 2 1 262.397 2.482 20 0 CEADMP C[NH+](CCOc1ccccc1)CC[C@H]1CCC[N@H+]1C ZINC000124667249 187148328 /nfs/dbraw/zinc/14/83/28/187148328.db2.gz PMRPLNWMTXPLES-OAHLLOKOSA-N 2 1 262.397 2.482 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCC(C)(C)O3)C2)C1 ZINC000336440665 365577143 /nfs/dbraw/zinc/57/71/43/365577143.db2.gz HJSZUQPPWFRWNQ-GOEBONIOSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CCC(C)(C)O3)C2)C1 ZINC000336440665 365577145 /nfs/dbraw/zinc/57/71/45/365577145.db2.gz HJSZUQPPWFRWNQ-GOEBONIOSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3CCC(C)(C)O3)C2)C1 ZINC000336440665 365577149 /nfs/dbraw/zinc/57/71/49/365577149.db2.gz HJSZUQPPWFRWNQ-GOEBONIOSA-N 2 1 266.429 2.362 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000121519428 365578228 /nfs/dbraw/zinc/57/82/28/365578228.db2.gz MMRQKYNSCAPZIE-CQSZACIVSA-N 3 1 278.444 2.290 20 0 CEADMP Cc1ccc2nc(CN[C@H]3CC[N@H+](C)C[C@@H]3C)cn2c1 ZINC000336527171 365598670 /nfs/dbraw/zinc/59/86/70/365598670.db2.gz FAHDCDNACZCSSF-ZFWWWQNUSA-N 2 1 272.396 2.073 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000449121048 282107715 /nfs/dbraw/zinc/10/77/15/282107715.db2.gz FUQSRLQORMCHKZ-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP COCC1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000449137173 282115201 /nfs/dbraw/zinc/11/52/01/282115201.db2.gz XEVWHGGORCDULS-VXGQWTEUSA-N 2 1 254.418 2.121 20 0 CEADMP COCC1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000449137173 282115204 /nfs/dbraw/zinc/11/52/04/282115204.db2.gz XEVWHGGORCDULS-VXGQWTEUSA-N 2 1 254.418 2.121 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000124908389 187160614 /nfs/dbraw/zinc/16/06/14/187160614.db2.gz JVRIOBFDFHKJRV-UHFFFAOYSA-N 2 1 283.803 2.210 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCC1 ZINC000449149673 282120519 /nfs/dbraw/zinc/12/05/19/282120519.db2.gz OJBJURGOVDUHRB-CVEARBPZSA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000083017088 178334497 /nfs/dbraw/zinc/33/44/97/178334497.db2.gz FFTZQALXDONGHA-ZIAGYGMSSA-N 2 1 285.476 2.198 20 0 CEADMP CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000083017086 178334672 /nfs/dbraw/zinc/33/46/72/178334672.db2.gz FFTZQALXDONGHA-KBPBESRZSA-N 2 1 285.476 2.198 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C2CCCC2)CC1 ZINC000124866425 365660687 /nfs/dbraw/zinc/66/06/87/365660687.db2.gz NYYVCYPVYFBWLB-HNNXBMFYSA-N 2 1 265.445 2.031 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000449162455 282126505 /nfs/dbraw/zinc/12/65/05/282126505.db2.gz JFKVDMVKYJFTKC-MBNYWOFBSA-N 2 1 251.374 2.127 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000036908046 361870471 /nfs/dbraw/zinc/87/04/71/361870471.db2.gz RNJWHBAPBPZTOA-VNHYZAJKSA-N 2 1 290.407 2.276 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000036908046 361870477 /nfs/dbraw/zinc/87/04/77/361870477.db2.gz RNJWHBAPBPZTOA-VNHYZAJKSA-N 2 1 290.407 2.276 20 0 CEADMP COC(=O)C[N@H+](CCCCn1cc[nH+]c1C)C1CCCC1 ZINC000125438907 187184630 /nfs/dbraw/zinc/18/46/30/187184630.db2.gz PONIVYHXAYMCCY-UHFFFAOYSA-N 2 1 293.411 2.389 20 0 CEADMP COC(=O)C[N@@H+](CCCCn1cc[nH+]c1C)C1CCCC1 ZINC000125438907 187184631 /nfs/dbraw/zinc/18/46/31/187184631.db2.gz PONIVYHXAYMCCY-UHFFFAOYSA-N 2 1 293.411 2.389 20 0 CEADMP CCC(CC)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000357158575 282144738 /nfs/dbraw/zinc/14/47/38/282144738.db2.gz PSOVZMZRQWBDEZ-INIZCTEOSA-N 2 1 297.487 2.297 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)cc(OC)c2)C1 ZINC000037644182 361916472 /nfs/dbraw/zinc/91/64/72/361916472.db2.gz TYOHKBFBRUCTNN-ZDUSSCGKSA-N 2 1 278.396 2.135 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000037901370 361961755 /nfs/dbraw/zinc/96/17/55/361961755.db2.gz BSZHYWUBIPRSPP-MRXNPFEDSA-N 2 1 283.460 2.275 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000125490072 187188024 /nfs/dbraw/zinc/18/80/24/187188024.db2.gz HMXKRKAWRDQECX-MRXNPFEDSA-N 2 1 262.397 2.217 20 0 CEADMP CCc1cc(NCCC[NH+](CC)CC)nc(C)[nH+]1 ZINC000088760121 539029699 /nfs/dbraw/zinc/02/96/99/539029699.db2.gz JRBXNTRSKHBJBA-UHFFFAOYSA-N 2 1 250.390 2.491 20 0 CEADMP CC(C)(CO)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000122020209 539032473 /nfs/dbraw/zinc/03/24/73/539032473.db2.gz KITHRILLNOZRHR-UHFFFAOYSA-N 2 1 290.451 2.302 20 0 CEADMP CO[C@]1(C)C[C@@H]([NH2+]CCCn2cc[nH+]c2C)C1(C)C ZINC000338018985 214364806 /nfs/dbraw/zinc/36/48/06/214364806.db2.gz NTXFDOOKBKALOB-UKRRQHHQSA-N 2 1 265.401 2.375 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621651583 349650512 /nfs/dbraw/zinc/65/05/12/349650512.db2.gz MPQUETPXPIDIHH-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCC(CC)[N@@H+](CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000344041584 282179992 /nfs/dbraw/zinc/17/99/92/282179992.db2.gz WMYPBJRQDPLWPZ-UHFFFAOYSA-N 2 1 283.460 2.097 20 0 CEADMP CCC(CC)[N@@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000344031047 282180224 /nfs/dbraw/zinc/18/02/24/282180224.db2.gz OXVZFCWKBXZYTK-UHFFFAOYSA-N 2 1 295.471 2.240 20 0 CEADMP c1cc(C[N@@H+]2CC[C@@H](N3CCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000123971289 539179775 /nfs/dbraw/zinc/17/97/75/539179775.db2.gz PQKBNXFPNPZBNY-QGZVFWFLSA-N 2 1 285.435 2.002 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H](N3CCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000123971289 539179776 /nfs/dbraw/zinc/17/97/76/539179776.db2.gz PQKBNXFPNPZBNY-QGZVFWFLSA-N 2 1 285.435 2.002 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cncc(Cl)c3)C[C@H]21 ZINC000621775432 349698719 /nfs/dbraw/zinc/69/87/19/349698719.db2.gz OYOQCMFKJKXYTC-IACUBPJLSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cncc(Cl)c3)C[C@H]21 ZINC000621775432 349698722 /nfs/dbraw/zinc/69/87/22/349698722.db2.gz OYOQCMFKJKXYTC-IACUBPJLSA-N 2 1 265.788 2.294 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621782237 349701926 /nfs/dbraw/zinc/70/19/26/349701926.db2.gz NYMQPQHYHHJLEQ-GOEBONIOSA-N 2 1 259.397 2.066 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621782237 349701931 /nfs/dbraw/zinc/70/19/31/349701931.db2.gz NYMQPQHYHHJLEQ-GOEBONIOSA-N 2 1 259.397 2.066 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCOCc1ccccc1)C2 ZINC000621784591 349702934 /nfs/dbraw/zinc/70/29/34/349702934.db2.gz RCRQVFZYWMPWMF-JKSUJKDBSA-N 2 1 260.381 2.016 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCOCc1ccccc1)C2 ZINC000621784591 349702936 /nfs/dbraw/zinc/70/29/36/349702936.db2.gz RCRQVFZYWMPWMF-JKSUJKDBSA-N 2 1 260.381 2.016 20 0 CEADMP COc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cn1 ZINC000621776350 349698194 /nfs/dbraw/zinc/69/81/94/349698194.db2.gz JLCCRRQTVQCVTB-ZDUSSCGKSA-N 2 1 275.396 2.054 20 0 CEADMP COC[C@@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC000126069434 187215084 /nfs/dbraw/zinc/21/50/84/187215084.db2.gz CAGFPURPNFILBW-HUUCEWRRSA-N 2 1 256.434 2.367 20 0 CEADMP COc1ccc(F)c(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000622043612 349775130 /nfs/dbraw/zinc/77/51/30/349775130.db2.gz FRTMUEVJMMBSHM-ABAIWWIYSA-N 2 1 266.360 2.312 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000080680530 539262439 /nfs/dbraw/zinc/26/24/39/539262439.db2.gz WTDDGYJYPQSAPL-HNNXBMFYSA-N 2 1 292.427 2.031 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000311378882 539283353 /nfs/dbraw/zinc/28/33/53/539283353.db2.gz WUCQJVCUXWSNIB-TUAOUCFPSA-N 2 1 282.350 2.416 20 0 CEADMP C[C@H](C[N@H+](C)Cc1ccccc1)NC1CC[NH+](C)CC1 ZINC000126320690 187232356 /nfs/dbraw/zinc/23/23/56/187232356.db2.gz DRPZXGYJQQJVCO-OAHLLOKOSA-N 2 1 275.440 2.191 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH+](C)CC1 ZINC000126320690 187232357 /nfs/dbraw/zinc/23/23/57/187232357.db2.gz DRPZXGYJQQJVCO-OAHLLOKOSA-N 2 1 275.440 2.191 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000235734917 539299727 /nfs/dbraw/zinc/29/97/27/539299727.db2.gz BYLCMCIABFOHFS-UONOGXRCSA-N 2 1 252.402 2.149 20 0 CEADMP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](CO)C(C)C ZINC000449511571 282265399 /nfs/dbraw/zinc/26/53/99/282265399.db2.gz NWKXKYXAUQWAJR-LUKYLMHMSA-N 2 1 282.472 2.492 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCCO ZINC000081013289 344033415 /nfs/dbraw/zinc/03/34/15/344033415.db2.gz DHVMKLDGJSVQNS-RDJZCZTQSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCCO ZINC000081013289 344033417 /nfs/dbraw/zinc/03/34/17/344033417.db2.gz DHVMKLDGJSVQNS-RDJZCZTQSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCCO ZINC000081013289 344033419 /nfs/dbraw/zinc/03/34/19/344033419.db2.gz DHVMKLDGJSVQNS-RDJZCZTQSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCCO ZINC000081013289 344033421 /nfs/dbraw/zinc/03/34/21/344033421.db2.gz DHVMKLDGJSVQNS-RDJZCZTQSA-N 2 1 276.424 2.211 20 0 CEADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCCO ZINC000081013289 344033424 /nfs/dbraw/zinc/03/34/24/344033424.db2.gz DHVMKLDGJSVQNS-RDJZCZTQSA-N 2 1 276.424 2.211 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000044533247 343474247 /nfs/dbraw/zinc/47/42/47/343474247.db2.gz QUYWHPJBRLQUDE-MRXNPFEDSA-N 2 1 284.407 2.304 20 0 CEADMP CCc1nc(C)c(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)o1 ZINC000333787624 529725871 /nfs/dbraw/zinc/72/58/71/529725871.db2.gz FQANZRNMTMSPOL-PWSUYJOCSA-N 2 1 251.374 2.023 20 0 CEADMP CC(C)C(=O)NC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000351349002 219092344 /nfs/dbraw/zinc/09/23/44/219092344.db2.gz GBUOYLSSATZGFL-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCCCCC2)CC1 ZINC000053906706 343581514 /nfs/dbraw/zinc/58/15/14/343581514.db2.gz MAUDMZZNRBPHMX-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP COc1cccc(CCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000351486445 219103022 /nfs/dbraw/zinc/10/30/22/219103022.db2.gz ARXTUFZQMHRCAN-UAGQMJEPSA-N 2 1 274.408 2.297 20 0 CEADMP CCc1ccc(CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351489524 219103769 /nfs/dbraw/zinc/10/37/69/219103769.db2.gz HPUAUIXHBOHGOU-ULQDDVLXSA-N 2 1 258.409 2.461 20 0 CEADMP Cc1ccc(C[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000351516984 219112548 /nfs/dbraw/zinc/11/25/48/219112548.db2.gz HUASUEKJHLLIBK-MAUKXSAKSA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000351516984 219112550 /nfs/dbraw/zinc/11/25/50/219112550.db2.gz HUASUEKJHLLIBK-MAUKXSAKSA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccc(C[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351516984 219112553 /nfs/dbraw/zinc/11/25/53/219112553.db2.gz HUASUEKJHLLIBK-MAUKXSAKSA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccc(C[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351516984 219112554 /nfs/dbraw/zinc/11/25/54/219112554.db2.gz HUASUEKJHLLIBK-MAUKXSAKSA-N 2 1 290.451 2.313 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(C)(C)OC)[C@@H](C)C1 ZINC000336783891 365798913 /nfs/dbraw/zinc/79/89/13/365798913.db2.gz IAGRLJWQHNALEZ-KBPBESRZSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(C)(C)OC)[C@@H](C)C1 ZINC000336783891 365798919 /nfs/dbraw/zinc/79/89/19/365798919.db2.gz IAGRLJWQHNALEZ-KBPBESRZSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(C)(C)OC)[C@@H](C)C1 ZINC000336783891 365798926 /nfs/dbraw/zinc/79/89/26/365798926.db2.gz IAGRLJWQHNALEZ-KBPBESRZSA-N 2 1 256.434 2.464 20 0 CEADMP Cc1cc(N(C)CC[NH+]2CCOCC2)c2ccccc2[nH+]1 ZINC000077963096 343937059 /nfs/dbraw/zinc/93/70/59/343937059.db2.gz WBELFEDSYKJZSJ-UHFFFAOYSA-N 2 1 285.391 2.312 20 0 CEADMP Clc1c[nH+]ccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000089602755 344125961 /nfs/dbraw/zinc/12/59/61/344125961.db2.gz JNLFCTSRSFGLHV-GFCCVEGCSA-N 2 1 281.787 2.400 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000090795721 344143756 /nfs/dbraw/zinc/14/37/56/344143756.db2.gz PVQQQKCSFHJPCF-DTTOXWODSA-N 2 1 288.435 2.139 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccncc2C)[C@H](C)C1 ZINC000090846739 344144193 /nfs/dbraw/zinc/14/41/93/344144193.db2.gz HCQLECBCZNYHJX-GDBMZVCRSA-N 2 1 261.413 2.252 20 0 CEADMP FC(F)(F)Oc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107577583 344260983 /nfs/dbraw/zinc/26/09/83/344260983.db2.gz PZCRDDROLGASHP-RYUDHWBXSA-N 2 1 286.297 2.236 20 0 CEADMP COC1CCC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000130029278 344348809 /nfs/dbraw/zinc/34/88/09/344348809.db2.gz VTNDTMVDATVPCH-NFOMZHRRSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000130530280 344353239 /nfs/dbraw/zinc/35/32/39/344353239.db2.gz FVMSJFKULQGCSO-UKRRQHHQSA-N 2 1 262.397 2.255 20 0 CEADMP CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000130588198 344353797 /nfs/dbraw/zinc/35/37/97/344353797.db2.gz ZWRKFMVXSKVJNS-XHDPSFHLSA-N 2 1 286.379 2.095 20 0 CEADMP CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166792732 344476997 /nfs/dbraw/zinc/47/69/97/344476997.db2.gz AMAHETVOLDHZPK-BUZFHVMYSA-N 2 1 298.496 2.283 20 0 CEADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000234754399 344586840 /nfs/dbraw/zinc/58/68/40/344586840.db2.gz VGTLDGRNFCMQJG-ZBFHGGJFSA-N 2 1 262.397 2.306 20 0 CEADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000234754399 344586843 /nfs/dbraw/zinc/58/68/43/344586843.db2.gz VGTLDGRNFCMQJG-ZBFHGGJFSA-N 2 1 262.397 2.306 20 0 CEADMP c1cc2c(s1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000051919390 362449636 /nfs/dbraw/zinc/44/96/36/362449636.db2.gz HMSDCRCBEQGCPX-LBPRGKRZSA-N 2 1 250.411 2.496 20 0 CEADMP COC(=O)C[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000259968520 344651575 /nfs/dbraw/zinc/65/15/75/344651575.db2.gz JUKFVDJSIDFZRO-HNNXBMFYSA-N 2 1 282.428 2.280 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]CCC[NH+]2CCCCC2)[nH]1 ZINC000602513634 347062541 /nfs/dbraw/zinc/06/25/41/347062541.db2.gz QLLLHSSLLNLLRJ-UHFFFAOYSA-N 2 1 293.411 2.157 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000250486126 344633516 /nfs/dbraw/zinc/63/35/16/344633516.db2.gz DWIIZLJNNTUSOH-GJZGRUSLSA-N 2 1 266.429 2.408 20 0 CEADMP COC(=O)c1csc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000602516566 347064255 /nfs/dbraw/zinc/06/42/55/347064255.db2.gz NNRMQYCQDCOXMK-OLZOCXBDSA-N 2 1 294.420 2.251 20 0 CEADMP COC(=O)c1csc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000602516566 347064257 /nfs/dbraw/zinc/06/42/57/347064257.db2.gz NNRMQYCQDCOXMK-OLZOCXBDSA-N 2 1 294.420 2.251 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000252092471 344638530 /nfs/dbraw/zinc/63/85/30/344638530.db2.gz HIBQEYVIYKQDKF-KHMAMNHCSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000252092471 344638532 /nfs/dbraw/zinc/63/85/32/344638532.db2.gz HIBQEYVIYKQDKF-KHMAMNHCSA-N 2 1 252.402 2.159 20 0 CEADMP CCC1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCCC1 ZINC000311188823 344733363 /nfs/dbraw/zinc/73/33/63/344733363.db2.gz CTJOXXUAJXLJFV-AWEZNQCLSA-N 2 1 254.418 2.002 20 0 CEADMP CCC1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCCC1 ZINC000311188823 344733365 /nfs/dbraw/zinc/73/33/65/344733365.db2.gz CTJOXXUAJXLJFV-AWEZNQCLSA-N 2 1 254.418 2.002 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449784125 282366765 /nfs/dbraw/zinc/36/67/65/282366765.db2.gz VIJRGWMMUDCNFV-AWEZNQCLSA-N 2 1 283.460 2.097 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449784125 282366766 /nfs/dbraw/zinc/36/67/66/282366766.db2.gz VIJRGWMMUDCNFV-AWEZNQCLSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000449787411 282368009 /nfs/dbraw/zinc/36/80/09/282368009.db2.gz VJFHUANADJBMJI-CYBMUJFWSA-N 2 1 296.484 2.119 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N(C)Cc2ncc(C[NH+](C)C)s2)C1 ZINC000449787411 282368012 /nfs/dbraw/zinc/36/80/12/282368012.db2.gz VJFHUANADJBMJI-CYBMUJFWSA-N 2 1 296.484 2.119 20 0 CEADMP C[C@H]1C[N@@H+](CCCCC2CCOCC2)CC[C@H]1[NH3+] ZINC000336785109 365803934 /nfs/dbraw/zinc/80/39/34/365803934.db2.gz BIPGYGQMFVKMNV-DZGCQCFKSA-N 2 1 254.418 2.252 20 0 CEADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCOC1 ZINC000375702030 282393769 /nfs/dbraw/zinc/39/37/69/282393769.db2.gz GCYKXEAXHUWEQS-MRXNPFEDSA-N 2 1 275.396 2.019 20 0 CEADMP CCn1nc(C)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000093597419 232183729 /nfs/dbraw/zinc/18/37/29/232183729.db2.gz YVGHOAGBXMMJAF-MRXNPFEDSA-N 2 1 290.455 2.438 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000093597419 232183734 /nfs/dbraw/zinc/18/37/34/232183734.db2.gz YVGHOAGBXMMJAF-MRXNPFEDSA-N 2 1 290.455 2.438 20 0 CEADMP COC(=O)c1coc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000593317712 345465947 /nfs/dbraw/zinc/46/59/47/345465947.db2.gz VMVNNEYQDFUBDX-FZMZJTMJSA-N 2 1 280.368 2.016 20 0 CEADMP COC(=O)c1coc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000593317712 345465948 /nfs/dbraw/zinc/46/59/48/345465948.db2.gz VMVNNEYQDFUBDX-FZMZJTMJSA-N 2 1 280.368 2.016 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C(=O)OC)oc2C)C1 ZINC000594611694 345661821 /nfs/dbraw/zinc/66/18/21/345661821.db2.gz HPTJMTZBQRFSID-ZDUSSCGKSA-N 2 1 294.395 2.196 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C(=O)OC)oc2C)C1 ZINC000594611694 345661822 /nfs/dbraw/zinc/66/18/22/345661822.db2.gz HPTJMTZBQRFSID-ZDUSSCGKSA-N 2 1 294.395 2.196 20 0 CEADMP CC(C)OC(=O)C[C@@H]([NH2+]CC[NH2+]C(C)(C)C)C(C)C ZINC000594583477 345651380 /nfs/dbraw/zinc/65/13/80/345651380.db2.gz ODKMQJKOCJBVIZ-CYBMUJFWSA-N 2 1 272.433 2.330 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(OC(F)F)c1 ZINC000623086479 349933917 /nfs/dbraw/zinc/93/39/17/349933917.db2.gz UJDVEEGTPKBNMJ-UHFFFAOYSA-N 2 1 281.306 2.354 20 0 CEADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000595017345 345727870 /nfs/dbraw/zinc/72/78/70/345727870.db2.gz UKOQRJOAMXSPDH-LBPRGKRZSA-N 2 1 281.400 2.149 20 0 CEADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000595026478 345730356 /nfs/dbraw/zinc/73/03/56/345730356.db2.gz OGBLCIJMMUBTDL-IHRRRGAJSA-N 2 1 284.444 2.427 20 0 CEADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000595026478 345730357 /nfs/dbraw/zinc/73/03/57/345730357.db2.gz OGBLCIJMMUBTDL-IHRRRGAJSA-N 2 1 284.444 2.427 20 0 CEADMP C[C@@H](CSCCF)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000595052588 345735346 /nfs/dbraw/zinc/73/53/46/345735346.db2.gz SCCOVRHCZIDRRW-QWHCGFSZSA-N 2 1 262.438 2.399 20 0 CEADMP CC[N@@H+](CCCc1cncn1C)[C@@H](C)C(=O)OC(C)(C)C ZINC000595606493 345824664 /nfs/dbraw/zinc/82/46/64/345824664.db2.gz PZMSYMSUIREECI-ZDUSSCGKSA-N 2 1 295.427 2.405 20 0 CEADMP CC(C)C[C@H](CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000128886947 365809348 /nfs/dbraw/zinc/80/93/48/365809348.db2.gz BCBQXFZBUJZFSY-SQWLQELKSA-N 2 1 267.461 2.178 20 0 CEADMP CC(C)C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000128886947 365809344 /nfs/dbraw/zinc/80/93/44/365809344.db2.gz BCBQXFZBUJZFSY-SQWLQELKSA-N 2 1 267.461 2.178 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccnc(OC)c2)CC1 ZINC000062057760 362703144 /nfs/dbraw/zinc/70/31/44/362703144.db2.gz RHFMZXHOOORWKD-UHFFFAOYSA-N 2 1 263.385 2.054 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000336794898 365818321 /nfs/dbraw/zinc/81/83/21/365818321.db2.gz GOALGJXVRYNVIE-KGLIPLIRSA-N 2 1 252.402 2.162 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](C2CCOCC2)C1 ZINC000336798449 365823093 /nfs/dbraw/zinc/82/30/93/365823093.db2.gz DYOWPERBNSPPCZ-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000336798449 365823096 /nfs/dbraw/zinc/82/30/96/365823096.db2.gz DYOWPERBNSPPCZ-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000336798449 365823100 /nfs/dbraw/zinc/82/31/00/365823100.db2.gz DYOWPERBNSPPCZ-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)CC[C@@](C)(O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459450352 290152199 /nfs/dbraw/zinc/15/21/99/290152199.db2.gz VYPXUDCZRQHONQ-MRXNPFEDSA-N 2 1 268.445 2.390 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000128437654 187369960 /nfs/dbraw/zinc/36/99/60/187369960.db2.gz SSAIVIUPVRRPRW-OAHLLOKOSA-N 2 1 295.402 2.460 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)[nH]1 ZINC000602722371 347170943 /nfs/dbraw/zinc/17/09/43/347170943.db2.gz CHAWTSXSCNPBAW-CYBMUJFWSA-N 2 1 293.411 2.013 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)[nH]1 ZINC000602722371 347170947 /nfs/dbraw/zinc/17/09/47/347170947.db2.gz CHAWTSXSCNPBAW-CYBMUJFWSA-N 2 1 293.411 2.013 20 0 CEADMP CSC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000602918555 347246372 /nfs/dbraw/zinc/24/63/72/347246372.db2.gz BFFGMKJNEULGHH-UHFFFAOYSA-N 2 1 253.415 2.180 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](CC2(C(=O)OC)CC2)CC1 ZINC000602948223 347254893 /nfs/dbraw/zinc/25/48/93/347254893.db2.gz BJCGIKLPBWREEB-UHFFFAOYSA-N 2 1 294.439 2.280 20 0 CEADMP CC(C)(C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603516808 347377375 /nfs/dbraw/zinc/37/73/75/347377375.db2.gz DEEPXWBYUSMJMH-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1ncccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603516854 347377510 /nfs/dbraw/zinc/37/75/10/347377510.db2.gz DTSQPYQXXYUIIH-QGZVFWFLSA-N 2 1 289.423 2.123 20 0 CEADMP COc1ccc(COCC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000603557276 347379747 /nfs/dbraw/zinc/37/97/47/347379747.db2.gz DAGBVEUUSNFOOK-INIZCTEOSA-N 2 1 292.423 2.095 20 0 CEADMP COc1ccc(COCC[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000603557276 347379749 /nfs/dbraw/zinc/37/97/49/347379749.db2.gz DAGBVEUUSNFOOK-INIZCTEOSA-N 2 1 292.423 2.095 20 0 CEADMP Cc1nccn1CC[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000336824496 365880397 /nfs/dbraw/zinc/88/03/97/365880397.db2.gz UYOYLMYJRMGLKM-ZDUSSCGKSA-N 2 1 273.380 2.460 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000336824496 365880400 /nfs/dbraw/zinc/88/04/00/365880400.db2.gz UYOYLMYJRMGLKM-ZDUSSCGKSA-N 2 1 273.380 2.460 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000336824496 365880404 /nfs/dbraw/zinc/88/04/04/365880404.db2.gz UYOYLMYJRMGLKM-ZDUSSCGKSA-N 2 1 273.380 2.460 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000128659692 187382215 /nfs/dbraw/zinc/38/22/15/187382215.db2.gz OFGMTCYYUANOCT-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@H]3CCc4[nH]cnc4C3)cn2c1 ZINC000568615675 299149323 /nfs/dbraw/zinc/14/93/23/299149323.db2.gz YOYXKHGUNFWDSC-LBPRGKRZSA-N 2 1 281.363 2.013 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000614331096 348179662 /nfs/dbraw/zinc/17/96/62/348179662.db2.gz OBGGUSDMCDUTNF-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)CC[C@H]1[NH3+] ZINC000339410367 215155860 /nfs/dbraw/zinc/15/58/60/215155860.db2.gz RJCZZCNJHQUFEQ-XJKSGUPXSA-N 2 1 274.408 2.223 20 0 CEADMP CO[C@@H]1CC[N@H+](CCCCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000339415026 215157550 /nfs/dbraw/zinc/15/75/50/215157550.db2.gz NQVKYGLGBSUIMN-NVXWUHKLSA-N 2 1 292.423 2.284 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000339415026 215157552 /nfs/dbraw/zinc/15/75/52/215157552.db2.gz NQVKYGLGBSUIMN-NVXWUHKLSA-N 2 1 292.423 2.284 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339408145 215152954 /nfs/dbraw/zinc/15/29/54/215152954.db2.gz QNRIMWWUPIXGJD-CJNGLKHVSA-N 2 1 274.408 2.223 20 0 CEADMP CC(C)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000614963157 348260758 /nfs/dbraw/zinc/26/07/58/348260758.db2.gz XBXRANHJRKGZSI-JKSUJKDBSA-N 2 1 267.461 2.131 20 0 CEADMP CCCC[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000066568206 362874191 /nfs/dbraw/zinc/87/41/91/362874191.db2.gz PVVQOBGPJFSGQE-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP C[N@H+]1CCC[C@@]2(CCN(CCC[NH+]3CCCCC3)C2)C1 ZINC000339441449 215175089 /nfs/dbraw/zinc/17/50/89/215175089.db2.gz OOTTZLHWJPENBU-QGZVFWFLSA-N 2 1 279.472 2.280 20 0 CEADMP C[C@H]1CC[N@@H+](CC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000568779576 299154087 /nfs/dbraw/zinc/15/40/87/299154087.db2.gz PZVQFQXVAPENNM-INIZCTEOSA-N 2 1 295.471 2.101 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459726070 290218578 /nfs/dbraw/zinc/21/85/78/290218578.db2.gz BFQMODUYPNAPKN-ZDUSSCGKSA-N 2 1 274.412 2.176 20 0 CEADMP Cc1csc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623355688 349996876 /nfs/dbraw/zinc/99/68/76/349996876.db2.gz SMRLACCPJFFRNW-LBPRGKRZSA-N 2 1 267.442 2.456 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000616993654 348600930 /nfs/dbraw/zinc/60/09/30/348600930.db2.gz KXZDHRWNAFMMDH-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616993654 348600932 /nfs/dbraw/zinc/60/09/32/348600932.db2.gz KXZDHRWNAFMMDH-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616993654 348600934 /nfs/dbraw/zinc/60/09/34/348600934.db2.gz KXZDHRWNAFMMDH-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507068 348718546 /nfs/dbraw/zinc/71/85/46/348718546.db2.gz GZRGWMNQUYMPOW-ZOBUZTSGSA-N 2 1 297.487 2.057 20 0 CEADMP CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507068 348718548 /nfs/dbraw/zinc/71/85/48/348718548.db2.gz GZRGWMNQUYMPOW-ZOBUZTSGSA-N 2 1 297.487 2.057 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(C)CCCCC1 ZINC000617507049 348718809 /nfs/dbraw/zinc/71/88/09/348718809.db2.gz GJARKYKSORNUMY-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(C)CCCCC1 ZINC000617507049 348718811 /nfs/dbraw/zinc/71/88/11/348718811.db2.gz GJARKYKSORNUMY-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCC(C)(C)CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617505815 348718919 /nfs/dbraw/zinc/71/89/19/348718919.db2.gz QXUYYQJVLLZSRS-AWEZNQCLSA-N 2 1 285.476 2.201 20 0 CEADMP CCC(C)(C)CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617505815 348718921 /nfs/dbraw/zinc/71/89/21/348718921.db2.gz QXUYYQJVLLZSRS-AWEZNQCLSA-N 2 1 285.476 2.201 20 0 CEADMP Cc1cccnc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000357393110 233062111 /nfs/dbraw/zinc/06/21/11/233062111.db2.gz WKOUIUKBNBKFPX-USXIJHARSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cccnc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000357393110 233062114 /nfs/dbraw/zinc/06/21/14/233062114.db2.gz WKOUIUKBNBKFPX-USXIJHARSA-N 2 1 289.423 2.074 20 0 CEADMP CC(C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCCC1 ZINC000339066361 539660300 /nfs/dbraw/zinc/66/03/00/539660300.db2.gz AJPCBNNAMCSCAM-HOTGVXAUSA-N 2 1 279.472 2.467 20 0 CEADMP CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000617928454 348827907 /nfs/dbraw/zinc/82/79/07/348827907.db2.gz QAHAXACACZRNKZ-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP COC[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000234696011 539731968 /nfs/dbraw/zinc/73/19/68/539731968.db2.gz UQVHHFCKUIKFFQ-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000619899483 349248475 /nfs/dbraw/zinc/24/84/75/349248475.db2.gz ZXVOITACSGJMDH-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000619899483 349248478 /nfs/dbraw/zinc/24/84/78/349248478.db2.gz ZXVOITACSGJMDH-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000619899483 349248481 /nfs/dbraw/zinc/24/84/81/349248481.db2.gz ZXVOITACSGJMDH-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[C@@H](CC)CC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000339408131 539740549 /nfs/dbraw/zinc/74/05/49/539740549.db2.gz QJTQDEKWZDOCPJ-CVEARBPZSA-N 2 1 297.487 2.380 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000250448182 539739850 /nfs/dbraw/zinc/73/98/50/539739850.db2.gz DONVTKWGPYLJSG-UMVBOHGHSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@H+]1CC[C@H](NCC(=O)Nc2cccc(F)c2)CC1(C)C ZINC000623386543 350006555 /nfs/dbraw/zinc/00/65/55/350006555.db2.gz ZNLYHOARCCSVAK-AWEZNQCLSA-N 2 1 293.386 2.227 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623396395 350008706 /nfs/dbraw/zinc/00/87/06/350008706.db2.gz QUDBFVBAIWLYHV-KGLIPLIRSA-N 2 1 255.450 2.179 20 0 CEADMP CC[C@@H](C)[NH+](C)CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623396395 350008707 /nfs/dbraw/zinc/00/87/07/350008707.db2.gz QUDBFVBAIWLYHV-KGLIPLIRSA-N 2 1 255.450 2.179 20 0 CEADMP CC[C@@H](C)[NH+](C)CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623396395 350008709 /nfs/dbraw/zinc/00/87/09/350008709.db2.gz QUDBFVBAIWLYHV-KGLIPLIRSA-N 2 1 255.450 2.179 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCCCC2)CC1(C)C ZINC000623398233 350009594 /nfs/dbraw/zinc/00/95/94/350009594.db2.gz ADZBVHAVYCHJEJ-GJZGRUSLSA-N 2 1 268.445 2.390 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc2n[nH]cc21 ZINC000623402453 350010073 /nfs/dbraw/zinc/01/00/73/350010073.db2.gz KMBFCDNQLDEVAL-GFCCVEGCSA-N 2 1 283.379 2.494 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCOC2CCOCC2)CC1(C)C ZINC000623429672 350018243 /nfs/dbraw/zinc/01/82/43/350018243.db2.gz MDDFAIZMACWZSK-CQSZACIVSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@@H](O)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623429816 350018427 /nfs/dbraw/zinc/01/84/27/350018427.db2.gz RFCXLHXIIKFDKJ-OLZOCXBDSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623447658 350023176 /nfs/dbraw/zinc/02/31/76/350023176.db2.gz ZQUAYGCUYRBSBF-RDBSUJKOSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000623479187 350030898 /nfs/dbraw/zinc/03/08/98/350030898.db2.gz KBVXSQMYSYVVOA-CRWXNKLISA-N 2 1 254.418 2.405 20 0 CEADMP Cn1c2ccccc2nc1CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656487 350075936 /nfs/dbraw/zinc/07/59/36/350075936.db2.gz VIVYBVIFWAKNBY-AWEZNQCLSA-N 2 1 286.423 2.395 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000623657100 350076011 /nfs/dbraw/zinc/07/60/11/350076011.db2.gz JUBAYPYUWDBLPX-MRXNPFEDSA-N 2 1 290.455 2.359 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623657100 350076012 /nfs/dbraw/zinc/07/60/12/350076012.db2.gz JUBAYPYUWDBLPX-MRXNPFEDSA-N 2 1 290.455 2.359 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657023 350076368 /nfs/dbraw/zinc/07/63/68/350076368.db2.gz IAPHRKPGIUMTTC-HNNXBMFYSA-N 2 1 289.423 2.467 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657023 350076370 /nfs/dbraw/zinc/07/63/70/350076370.db2.gz IAPHRKPGIUMTTC-HNNXBMFYSA-N 2 1 289.423 2.467 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000623655947 350076481 /nfs/dbraw/zinc/07/64/81/350076481.db2.gz JHWBIPOATPHNGN-CYBMUJFWSA-N 2 1 276.380 2.237 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000623655947 350076483 /nfs/dbraw/zinc/07/64/83/350076483.db2.gz JHWBIPOATPHNGN-CYBMUJFWSA-N 2 1 276.380 2.237 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOCC2CCC2)CC1(C)C ZINC000623493885 350033768 /nfs/dbraw/zinc/03/37/68/350033768.db2.gz VGGXGSYWEZNMLZ-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623504590 350036693 /nfs/dbraw/zinc/03/66/93/350036693.db2.gz VICBAOPRICRISZ-IAGOWNOFSA-N 2 1 290.451 2.361 20 0 CEADMP C[C@@H]1COCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623523042 350040799 /nfs/dbraw/zinc/04/07/99/350040799.db2.gz HFVVCLGXLZNQMY-RDBSUJKOSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@]2(O)CCCC2(C)C)CC1(C)C ZINC000623532978 350043633 /nfs/dbraw/zinc/04/36/33/350043633.db2.gz ODRCSOMUHKWXLU-CJNGLKHVSA-N 2 1 268.445 2.390 20 0 CEADMP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623542126 350045597 /nfs/dbraw/zinc/04/55/97/350045597.db2.gz OMVYXVRLWRNQBX-JSGCOSHPSA-N 2 1 264.417 2.426 20 0 CEADMP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623542126 350045601 /nfs/dbraw/zinc/04/56/01/350045601.db2.gz OMVYXVRLWRNQBX-JSGCOSHPSA-N 2 1 264.417 2.426 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)O1 ZINC000623550234 350047535 /nfs/dbraw/zinc/04/75/35/350047535.db2.gz GGCWLMWWPVIIHT-SYQHCUMBSA-N 2 1 254.418 2.262 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C2(O)CCOCC2)CC1(C)C ZINC000623552617 350048883 /nfs/dbraw/zinc/04/88/83/350048883.db2.gz NJMCQYBBRBRKQS-AWEZNQCLSA-N 2 1 298.471 2.017 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623553089 350049056 /nfs/dbraw/zinc/04/90/56/350049056.db2.gz DJIFUUOTLOAYGE-SLTAFYQDSA-N 3 1 267.461 2.322 20 0 CEADMP CN1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CC1(C)C ZINC000623553089 350049058 /nfs/dbraw/zinc/04/90/58/350049058.db2.gz DJIFUUOTLOAYGE-SLTAFYQDSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H](COCC1CC1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623559945 350050327 /nfs/dbraw/zinc/05/03/27/350050327.db2.gz PUUGBPDQNSUXLV-JSGCOSHPSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCC2(CO)CCC2)CC1(C)C ZINC000623561004 350051043 /nfs/dbraw/zinc/05/10/43/350051043.db2.gz YYSCOEQAYQBIMW-CYBMUJFWSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1(C)C ZINC000623572711 350054001 /nfs/dbraw/zinc/05/40/01/350054001.db2.gz KYAUBQHKBGUBBE-KBPBESRZSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(C)ccc1C ZINC000623960867 350156099 /nfs/dbraw/zinc/15/60/99/350156099.db2.gz KDBSSSLPOMIRIN-IRXDYDNUSA-N 2 1 276.424 2.411 20 0 CEADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(C)ccc1C ZINC000623960867 350156103 /nfs/dbraw/zinc/15/61/03/350156103.db2.gz KDBSSSLPOMIRIN-IRXDYDNUSA-N 2 1 276.424 2.411 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000271306166 191063519 /nfs/dbraw/zinc/06/35/19/191063519.db2.gz HQTSCJPQXFSBAU-LLVKDONJSA-N 2 1 262.332 2.467 20 0 CEADMP CC(C)CC[C@@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000624110598 350197185 /nfs/dbraw/zinc/19/71/85/350197185.db2.gz BHORMTCDBSWOKU-DLBZAZTESA-N 2 1 298.471 2.017 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120999 350198930 /nfs/dbraw/zinc/19/89/30/350198930.db2.gz LLHBCYIQHYSDLQ-DZGCQCFKSA-N 2 1 276.428 2.119 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C)n1 ZINC000624121197 350198999 /nfs/dbraw/zinc/19/89/99/350198999.db2.gz PYGADUXFTGHIMB-DOMZBBRYSA-N 2 1 276.428 2.476 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)n1 ZINC000624121197 350199002 /nfs/dbraw/zinc/19/90/02/350199002.db2.gz PYGADUXFTGHIMB-DOMZBBRYSA-N 2 1 276.428 2.476 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@]1(C)CCCO1 ZINC000624124038 350200824 /nfs/dbraw/zinc/20/08/24/350200824.db2.gz VSOCIONUTRZFSN-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)ccn1 ZINC000624123357 350201802 /nfs/dbraw/zinc/20/18/02/350201802.db2.gz KNOFRDOUIXUKFM-UONOGXRCSA-N 2 1 277.412 2.473 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccn1 ZINC000624123357 350201806 /nfs/dbraw/zinc/20/18/06/350201806.db2.gz KNOFRDOUIXUKFM-UONOGXRCSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccnc1C ZINC000105442712 186057039 /nfs/dbraw/zinc/05/70/39/186057039.db2.gz FTSUTWXUXNUOMT-GFCCVEGCSA-N 2 1 258.369 2.321 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccccc1)C1CCC([NH3+])CC1 ZINC000091846708 180270507 /nfs/dbraw/zinc/27/05/07/180270507.db2.gz BPZPQKXKEKDNOV-UHFFFAOYSA-N 2 1 275.396 2.217 20 0 CEADMP CCO[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000625186749 350424691 /nfs/dbraw/zinc/42/46/91/350424691.db2.gz XYYJBQMGJGQHRI-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CCO[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000625186749 350424696 /nfs/dbraw/zinc/42/46/96/350424696.db2.gz XYYJBQMGJGQHRI-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CCO[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000625186749 350424700 /nfs/dbraw/zinc/42/47/00/350424700.db2.gz XYYJBQMGJGQHRI-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CCn1nccc1CN(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000130488653 365962151 /nfs/dbraw/zinc/96/21/51/365962151.db2.gz IOIRFCHEVQWVJA-ZFWWWQNUSA-N 2 1 264.417 2.065 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2OC(F)F)CC1 ZINC000337559724 282712134 /nfs/dbraw/zinc/71/21/34/282712134.db2.gz ULYCQICTCTZJHW-RYUDHWBXSA-N 2 1 262.344 2.221 20 0 CEADMP CCN(CC)[C@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000110370675 186294598 /nfs/dbraw/zinc/29/45/98/186294598.db2.gz PVWWORXFOQZIJJ-HNNXBMFYSA-N 2 1 255.450 2.312 20 0 CEADMP CCN(CC)[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000110370675 186294599 /nfs/dbraw/zinc/29/45/99/186294599.db2.gz PVWWORXFOQZIJJ-HNNXBMFYSA-N 2 1 255.450 2.312 20 0 CEADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccs1 ZINC000110757743 186320344 /nfs/dbraw/zinc/32/03/44/186320344.db2.gz KTRBAMDTJKEWLC-ZDUSSCGKSA-N 2 1 281.469 2.425 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000111240580 186374090 /nfs/dbraw/zinc/37/40/90/186374090.db2.gz KMAOQGYGUSQKQX-HNNXBMFYSA-N 2 1 254.418 2.362 20 0 CEADMP c1[nH]nc2cccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c12 ZINC000628182028 350992943 /nfs/dbraw/zinc/99/29/43/350992943.db2.gz AHPVTFHACQKLRT-AWEZNQCLSA-N 2 1 284.407 2.481 20 0 CEADMP Cc1ncc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)o1 ZINC000628233002 351020176 /nfs/dbraw/zinc/02/01/76/351020176.db2.gz YNLSPQUELFFWSV-UHFFFAOYSA-N 2 1 259.353 2.334 20 0 CEADMP C[N@@H+](CCCNC(=O)C1CCC1)[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000628251914 351027523 /nfs/dbraw/zinc/02/75/23/351027523.db2.gz AIJXUWFDAFQAMH-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CCCNC(=O)C1CCC1)[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000628251914 351027526 /nfs/dbraw/zinc/02/75/26/351027526.db2.gz AIJXUWFDAFQAMH-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](CCCNC(=O)C1CCC1)[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000628251914 351027529 /nfs/dbraw/zinc/02/75/29/351027529.db2.gz AIJXUWFDAFQAMH-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](O)c1cccc(F)c1 ZINC000271427373 191131098 /nfs/dbraw/zinc/13/10/98/191131098.db2.gz BIZGHZKTIKQSRD-DXEWXGHRSA-N 2 1 292.398 2.464 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1nccc2ccccc21 ZINC000629521274 351387336 /nfs/dbraw/zinc/38/73/36/351387336.db2.gz OYXMKCXSKHAEPB-CYBMUJFWSA-N 2 1 285.391 2.393 20 0 CEADMP CCOc1ccccc1[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521644 351387399 /nfs/dbraw/zinc/38/73/99/351387399.db2.gz PTRGMZNKVDMXFN-ZDUSSCGKSA-N 2 1 278.396 2.244 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Cl)cc1 ZINC000629524883 351389673 /nfs/dbraw/zinc/38/96/73/351389673.db2.gz VSXMOAABJIEGLO-LLVKDONJSA-N 2 1 268.788 2.499 20 0 CEADMP CCO[C@H](C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C1CC1 ZINC000629533945 351397099 /nfs/dbraw/zinc/39/70/99/351397099.db2.gz FCYMLCLOVCZALL-HRCADAONSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)c1nc([C@H](C)[NH2+]CCOCCC[NH3+])cs1 ZINC000629534804 351398381 /nfs/dbraw/zinc/39/83/81/351398381.db2.gz AWDDQOPWVFWPAP-NSHDSACASA-N 2 1 271.430 2.283 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cc3ccccc3o2)CCOCC1 ZINC000629389080 351347137 /nfs/dbraw/zinc/34/71/37/351347137.db2.gz XJUGVGQCBMHHHV-UHFFFAOYSA-N 2 1 260.337 2.030 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C[NH2+]1 ZINC000629396541 351349720 /nfs/dbraw/zinc/34/97/20/351349720.db2.gz MMYMPWQMQCWXMA-DZGCQCFKSA-N 2 1 295.471 2.144 20 0 CEADMP CCc1noc(C2CCC([NH2+][C@@H]3CC[C@H](C)[NH2+]C3)CC2)n1 ZINC000629415792 351357319 /nfs/dbraw/zinc/35/73/19/351357319.db2.gz SGZUXAKHVORKPN-GFJIZPEISA-N 2 1 292.427 2.388 20 0 CEADMP COc1ccc(C[N@@H+](C)CCOCC[NH3+])c2ccccc12 ZINC000629661597 351455524 /nfs/dbraw/zinc/45/55/24/351455524.db2.gz DBCKLFNHWZPVCX-UHFFFAOYSA-N 2 1 288.391 2.256 20 0 CEADMP COc1cccc2c1C[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC000629664149 351457031 /nfs/dbraw/zinc/45/70/31/351457031.db2.gz JGDQRJIVOAYXFI-CHWSQXEVSA-N 2 1 260.381 2.399 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)CC[C@@H]1C(F)(F)F ZINC000629561035 351414722 /nfs/dbraw/zinc/41/47/22/351414722.db2.gz GMKFSJHGKWZVCD-AGIUHOORSA-N 2 1 294.361 2.405 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000629563823 351415915 /nfs/dbraw/zinc/41/59/15/351415915.db2.gz REAKQBGMRHKOEO-JHJVBQTASA-N 2 1 294.361 2.261 20 0 CEADMP O[C@H](C[NH2+][C@@H]1C[C@H]1c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000629578740 351420642 /nfs/dbraw/zinc/42/06/42/351420642.db2.gz MFQCOTWWRCRDDO-OWCLPIDISA-N 2 1 294.826 2.242 20 0 CEADMP CC(F)(F)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629580243 351421686 /nfs/dbraw/zinc/42/16/86/351421686.db2.gz OAZJBCOLNRVNKD-HNNXBMFYSA-N 2 1 298.377 2.345 20 0 CEADMP COc1ccc(OC)c(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000070148616 363037433 /nfs/dbraw/zinc/03/74/33/363037433.db2.gz SKAVMHSVWSRFOK-AWEZNQCLSA-N 2 1 278.396 2.407 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000070148616 363037437 /nfs/dbraw/zinc/03/74/37/363037437.db2.gz SKAVMHSVWSRFOK-AWEZNQCLSA-N 2 1 278.396 2.407 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(F)ccc1F ZINC000070165719 363040570 /nfs/dbraw/zinc/04/05/70/363040570.db2.gz UEVBBEUGQPBHLL-UHFFFAOYSA-N 2 1 251.280 2.260 20 0 CEADMP Cn1nccc1-c1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000629696878 351477212 /nfs/dbraw/zinc/47/72/12/351477212.db2.gz LNVLCIMUSGNREN-OAHLLOKOSA-N 2 1 270.380 2.010 20 0 CEADMP Cn1nccc1-c1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000629696878 351477215 /nfs/dbraw/zinc/47/72/15/351477215.db2.gz LNVLCIMUSGNREN-OAHLLOKOSA-N 2 1 270.380 2.010 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000070171107 363044928 /nfs/dbraw/zinc/04/49/28/363044928.db2.gz CIZIMMIIRMCSRJ-NSHDSACASA-N 2 1 292.408 2.359 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000070171107 363044931 /nfs/dbraw/zinc/04/49/31/363044931.db2.gz CIZIMMIIRMCSRJ-NSHDSACASA-N 2 1 292.408 2.359 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000070317013 363071779 /nfs/dbraw/zinc/07/17/79/363071779.db2.gz JDMJLPSBOZQQQT-AWEZNQCLSA-N 2 1 283.460 2.084 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC000629995558 351575704 /nfs/dbraw/zinc/57/57/04/351575704.db2.gz AQDOQMBIZJMOAF-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)C1CCCCC1 ZINC000337203734 366073406 /nfs/dbraw/zinc/07/34/06/366073406.db2.gz GTSWGMBWVRSOTD-MRXNPFEDSA-N 2 1 268.445 2.345 20 0 CEADMP COc1cccc2c(N3C[C@H]([NH3+])C[C@H]3C)cc(C)[nH+]c12 ZINC000630559683 351786122 /nfs/dbraw/zinc/78/61/22/351786122.db2.gz XZRNHYHFOPWFCV-VXGBXAGGSA-N 2 1 271.364 2.478 20 0 CEADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122594669 187039921 /nfs/dbraw/zinc/03/99/21/187039921.db2.gz WYASOXDQNANCLY-HNNXBMFYSA-N 2 1 293.430 2.456 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000631039413 351932978 /nfs/dbraw/zinc/93/29/78/351932978.db2.gz JGRRDTUFAYJRSR-HNNXBMFYSA-N 2 1 287.407 2.219 20 0 CEADMP Cc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(F)c1 ZINC000631181080 352004361 /nfs/dbraw/zinc/00/43/61/352004361.db2.gz ZWEXMEMGTXFQFV-UHFFFAOYSA-N 2 1 293.430 2.203 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(NC(C)=O)c2)C1 ZINC000072858520 363171042 /nfs/dbraw/zinc/17/10/42/363171042.db2.gz ZMWSHOYQTQVURC-MRXNPFEDSA-N 2 1 289.423 2.419 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(NC(C)=O)c2)C1 ZINC000072858520 363171048 /nfs/dbraw/zinc/17/10/48/363171048.db2.gz ZMWSHOYQTQVURC-MRXNPFEDSA-N 2 1 289.423 2.419 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000072858520 363171052 /nfs/dbraw/zinc/17/10/52/363171052.db2.gz ZMWSHOYQTQVURC-MRXNPFEDSA-N 2 1 289.423 2.419 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000072858520 363171058 /nfs/dbraw/zinc/17/10/58/363171058.db2.gz ZMWSHOYQTQVURC-MRXNPFEDSA-N 2 1 289.423 2.419 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2scnc2C)C1 ZINC000072858951 363172555 /nfs/dbraw/zinc/17/25/55/363172555.db2.gz SAQKGOODSHNRFO-CYBMUJFWSA-N 2 1 267.442 2.268 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2scnc2C)C1 ZINC000072858951 363172560 /nfs/dbraw/zinc/17/25/60/363172560.db2.gz SAQKGOODSHNRFO-CYBMUJFWSA-N 2 1 267.442 2.268 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2scnc2C)C1 ZINC000072858951 363172563 /nfs/dbraw/zinc/17/25/63/363172563.db2.gz SAQKGOODSHNRFO-CYBMUJFWSA-N 2 1 267.442 2.268 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000252185567 539850709 /nfs/dbraw/zinc/85/07/09/539850709.db2.gz UFZVFWCSEUYTIZ-KHMAMNHCSA-N 2 1 252.402 2.159 20 0 CEADMP COc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1OC ZINC000094010655 539864003 /nfs/dbraw/zinc/86/40/03/539864003.db2.gz BMRZCBDQNHBQCP-UHFFFAOYSA-N 2 1 278.396 2.135 20 0 CEADMP CCn1cc(C[N@@H+](CC2CC[NH2+]CC2)C(C)C)cn1 ZINC000094026176 539864972 /nfs/dbraw/zinc/86/49/72/539864972.db2.gz RPMVIXJRWJTIQA-UHFFFAOYSA-N 2 1 264.417 2.113 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(N)ccc32)CC1 ZINC000094088029 539867745 /nfs/dbraw/zinc/86/77/45/539867745.db2.gz MGXFBQPGQMBWAF-MRXNPFEDSA-N 2 1 259.397 2.330 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)COC3)CC[N@H+]1C ZINC000336473291 213343515 /nfs/dbraw/zinc/34/35/15/213343515.db2.gz CDEJVIYAKUFBPT-MLGOLLRUSA-N 2 1 260.381 2.289 20 0 CEADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000096158887 539912806 /nfs/dbraw/zinc/91/28/06/539912806.db2.gz PZYFDPWCSLURAT-UHFFFAOYSA-N 2 1 274.408 2.292 20 0 CEADMP C[C@@H]1C[C@@H](NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1C ZINC000152655159 539935136 /nfs/dbraw/zinc/93/51/36/539935136.db2.gz DBHXDYZZRVNJDK-CABCVRRESA-N 2 1 267.461 2.323 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC000292268664 198225149 /nfs/dbraw/zinc/22/51/49/198225149.db2.gz ZGULZTFAABARDD-QGZVFWFLSA-N 2 1 289.423 2.235 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC000292268664 198225151 /nfs/dbraw/zinc/22/51/51/198225151.db2.gz ZGULZTFAABARDD-QGZVFWFLSA-N 2 1 289.423 2.235 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@@H]21 ZINC000309859684 539978913 /nfs/dbraw/zinc/97/89/13/539978913.db2.gz CXMGHXGOVOGFHE-IXDOHACOSA-N 2 1 274.408 2.262 20 0 CEADMP CC[C@@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CC[C@H]1[NH3+] ZINC000251841077 539992407 /nfs/dbraw/zinc/99/24/07/539992407.db2.gz QUQMQYLNCWARSO-ZIAGYGMSSA-N 2 1 277.412 2.266 20 0 CEADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccncc2)CC1 ZINC000156580277 188269830 /nfs/dbraw/zinc/26/98/30/188269830.db2.gz OTZXCXYVERGIPS-CQSZACIVSA-N 2 1 277.412 2.233 20 0 CEADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2)[C@H]1C[NH3+] ZINC000252214655 540002412 /nfs/dbraw/zinc/00/24/12/540002412.db2.gz XIHKPCJDLRUHIT-ZFWWWQNUSA-N 2 1 275.396 2.074 20 0 CEADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)[C@H]1C[NH3+] ZINC000252214655 540002414 /nfs/dbraw/zinc/00/24/14/540002414.db2.gz XIHKPCJDLRUHIT-ZFWWWQNUSA-N 2 1 275.396 2.074 20 0 CEADMP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)CC(C)C ZINC000494882930 291002941 /nfs/dbraw/zinc/00/29/41/291002941.db2.gz MFJZZNJAMIZQAN-CABCVRRESA-N 2 1 297.487 2.390 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000365192283 293648476 /nfs/dbraw/zinc/64/84/76/293648476.db2.gz PSGFDUKWKXGPCY-HUUCEWRRSA-N 2 1 263.385 2.129 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC000163241714 188603052 /nfs/dbraw/zinc/60/30/52/188603052.db2.gz UBFFINZFZRJLAH-QWHCGFSZSA-N 2 1 250.411 2.448 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000666853962 540023697 /nfs/dbraw/zinc/02/36/97/540023697.db2.gz UZELIYAEFWAJST-KBPBESRZSA-N 2 1 270.380 2.232 20 0 CEADMP Cc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)nc(C)[nH+]1 ZINC000132870773 366176329 /nfs/dbraw/zinc/17/63/29/366176329.db2.gz WNKLNMSXKGJUQV-CQSZACIVSA-N 2 1 260.385 2.016 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337992750 366189009 /nfs/dbraw/zinc/18/90/09/366189009.db2.gz ZGHGJIFCXBIULI-IAGOWNOFSA-N 2 1 279.472 2.182 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451555716 283033644 /nfs/dbraw/zinc/03/36/44/283033644.db2.gz CBJMNNHWRJWAQU-LUKYLMHMSA-N 2 1 298.471 2.090 20 0 CEADMP CO[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451555716 283033648 /nfs/dbraw/zinc/03/36/48/283033648.db2.gz CBJMNNHWRJWAQU-LUKYLMHMSA-N 2 1 298.471 2.090 20 0 CEADMP CO[C@@H]1CC[NH+](CCC[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451555716 283033651 /nfs/dbraw/zinc/03/36/51/283033651.db2.gz CBJMNNHWRJWAQU-LUKYLMHMSA-N 2 1 298.471 2.090 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414708116 283062945 /nfs/dbraw/zinc/06/29/45/283062945.db2.gz OUMKGLXGLWCUKY-LSDHHAIUSA-N 2 1 255.450 2.024 20 0 CEADMP Cc1nccn1CCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451696561 283076158 /nfs/dbraw/zinc/07/61/58/283076158.db2.gz GJBZJINIBKZBPF-PMPSAXMXSA-N 2 1 277.412 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451696561 283076161 /nfs/dbraw/zinc/07/61/61/283076161.db2.gz GJBZJINIBKZBPF-PMPSAXMXSA-N 2 1 277.412 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451696561 283076164 /nfs/dbraw/zinc/07/61/64/283076164.db2.gz GJBZJINIBKZBPF-PMPSAXMXSA-N 2 1 277.412 2.065 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000162083371 540147258 /nfs/dbraw/zinc/14/72/58/540147258.db2.gz QGNMZOOZVLEEJH-MJBXVCDLSA-N 2 1 260.381 2.222 20 0 CEADMP C[C@@H](O)[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000576339834 314265164 /nfs/dbraw/zinc/26/51/64/314265164.db2.gz YCKHCDLBLIOJCC-LXTVHRRPSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC[N@@H+]1C ZINC000185321009 291084778 /nfs/dbraw/zinc/08/47/78/291084778.db2.gz LGMKNCINQMMLSM-MHEUCROKSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)CC[N@H+]1C ZINC000185321009 291084780 /nfs/dbraw/zinc/08/47/80/291084780.db2.gz LGMKNCINQMMLSM-MHEUCROKSA-N 2 1 252.402 2.016 20 0 CEADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000273659369 192249790 /nfs/dbraw/zinc/24/97/90/192249790.db2.gz XTQJZUMLZCPBOT-GDBMZVCRSA-N 2 1 277.412 2.441 20 0 CEADMP C[NH+](C)CCC1CC[NH+](Cc2ncnn2C(C)(C)C)CC1 ZINC000338240601 366246273 /nfs/dbraw/zinc/24/62/73/366246273.db2.gz ZBVWAKNAYNUQAT-UHFFFAOYSA-N 2 1 293.459 2.197 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338310784 366287319 /nfs/dbraw/zinc/28/73/19/366287319.db2.gz BTXXMPVAPYAQOR-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338310784 366287328 /nfs/dbraw/zinc/28/73/28/366287328.db2.gz BTXXMPVAPYAQOR-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)OC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834241 363490875 /nfs/dbraw/zinc/49/08/75/363490875.db2.gz MLUVQHDERGQNOI-OAHLLOKOSA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834241 363490877 /nfs/dbraw/zinc/49/08/77/363490877.db2.gz MLUVQHDERGQNOI-OAHLLOKOSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@@H+](CCn1cccn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110177 363522152 /nfs/dbraw/zinc/52/21/52/363522152.db2.gz KNIOXHLIPAKQPM-SFHVURJKSA-N 2 1 298.434 2.337 20 0 CEADMP C[NH+](CCn1cccn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110177 363522157 /nfs/dbraw/zinc/52/21/57/363522157.db2.gz KNIOXHLIPAKQPM-SFHVURJKSA-N 2 1 298.434 2.337 20 0 CEADMP C[NH+](CCn1cccn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110177 363522161 /nfs/dbraw/zinc/52/21/61/363522161.db2.gz KNIOXHLIPAKQPM-SFHVURJKSA-N 2 1 298.434 2.337 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC4(CCCCC4)O3)C[C@@H]2C1 ZINC000193596659 283212778 /nfs/dbraw/zinc/21/27/78/283212778.db2.gz KBXBVFYKPKKMHY-XHSDSOJGSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)C[C@@H]2C1 ZINC000193596659 283212780 /nfs/dbraw/zinc/21/27/80/283212780.db2.gz KBXBVFYKPKKMHY-XHSDSOJGSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCC4(CCCCC4)O3)C[C@@H]2C1 ZINC000193596659 283212782 /nfs/dbraw/zinc/21/27/82/283212782.db2.gz KBXBVFYKPKKMHY-XHSDSOJGSA-N 2 1 278.440 2.362 20 0 CEADMP CC(C)OCCN1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000134689316 366351486 /nfs/dbraw/zinc/35/14/86/366351486.db2.gz LGEFUBLZAGUCGS-AWEZNQCLSA-N 2 1 254.418 2.360 20 0 CEADMP CCC[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678132388 538733472 /nfs/dbraw/zinc/73/34/72/538733472.db2.gz CWCNVLCODAIYJV-UHFFFAOYSA-N 2 1 250.386 2.469 20 0 CEADMP C[C@@H](CO)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120747537 538863251 /nfs/dbraw/zinc/86/32/51/538863251.db2.gz OIDAGYNTVPFKGM-HZPDHXFCSA-N 2 1 268.445 2.059 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000389228529 540344499 /nfs/dbraw/zinc/34/44/99/540344499.db2.gz HZWVCDBVSJSNFV-PMPSAXMXSA-N 2 1 267.461 2.371 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000389472555 540357815 /nfs/dbraw/zinc/35/78/15/540357815.db2.gz VFUXTEOZGOUBTC-VVLHAWIVSA-N 2 1 279.472 2.371 20 0 CEADMP CCCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000389472555 540357819 /nfs/dbraw/zinc/35/78/19/540357819.db2.gz VFUXTEOZGOUBTC-VVLHAWIVSA-N 2 1 279.472 2.371 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000389472556 540357843 /nfs/dbraw/zinc/35/78/43/540357843.db2.gz VFUXTEOZGOUBTC-YLFCFFPRSA-N 2 1 279.472 2.371 20 0 CEADMP CCCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000389472556 540357846 /nfs/dbraw/zinc/35/78/46/540357846.db2.gz VFUXTEOZGOUBTC-YLFCFFPRSA-N 2 1 279.472 2.371 20 0 CEADMP CC(C)C(C[N@H+](CCO)C1CC[NH+](C)CC1)C(C)C ZINC000570651509 299269867 /nfs/dbraw/zinc/26/98/67/299269867.db2.gz USECEZUOODUKBE-UHFFFAOYSA-N 2 1 270.461 2.303 20 0 CEADMP CC(C)C(C[N@@H+](CCO)C1CC[NH+](C)CC1)C(C)C ZINC000570651509 299269870 /nfs/dbraw/zinc/26/98/70/299269870.db2.gz USECEZUOODUKBE-UHFFFAOYSA-N 2 1 270.461 2.303 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000496411538 291137102 /nfs/dbraw/zinc/13/71/02/291137102.db2.gz QHKRVBIDKXYAQM-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000496411538 291137104 /nfs/dbraw/zinc/13/71/04/291137104.db2.gz QHKRVBIDKXYAQM-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000353319184 283339342 /nfs/dbraw/zinc/33/93/42/283339342.db2.gz PRXYVHDDUBURNM-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@@H+]1C ZINC000156216230 291144995 /nfs/dbraw/zinc/14/49/95/291144995.db2.gz YSKOYGLKCLLEHS-WCQYABFASA-N 2 1 293.377 2.085 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)CC[N@H+]1C ZINC000156216230 291144996 /nfs/dbraw/zinc/14/49/96/291144996.db2.gz YSKOYGLKCLLEHS-WCQYABFASA-N 2 1 293.377 2.085 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000577741763 366390556 /nfs/dbraw/zinc/39/05/56/366390556.db2.gz AWWKDFUPDPTMHR-DLBZAZTESA-N 2 1 294.414 2.102 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000577741763 366390558 /nfs/dbraw/zinc/39/05/58/366390558.db2.gz AWWKDFUPDPTMHR-DLBZAZTESA-N 2 1 294.414 2.102 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000577741763 366390562 /nfs/dbraw/zinc/39/05/62/366390562.db2.gz AWWKDFUPDPTMHR-DLBZAZTESA-N 2 1 294.414 2.102 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000578334202 366479301 /nfs/dbraw/zinc/47/93/01/366479301.db2.gz CPTFUUOIEGTLRX-DLBZAZTESA-N 2 1 276.424 2.445 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000578334202 366479302 /nfs/dbraw/zinc/47/93/02/366479302.db2.gz CPTFUUOIEGTLRX-DLBZAZTESA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000578334202 366479303 /nfs/dbraw/zinc/47/93/03/366479303.db2.gz CPTFUUOIEGTLRX-DLBZAZTESA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000578334202 366479304 /nfs/dbraw/zinc/47/93/04/366479304.db2.gz CPTFUUOIEGTLRX-DLBZAZTESA-N 2 1 276.424 2.445 20 0 CEADMP CC[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000136185456 366502280 /nfs/dbraw/zinc/50/22/80/366502280.db2.gz PKHQWZCOURFBQP-VHSXEESVSA-N 2 1 252.362 2.026 20 0 CEADMP COC1(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000571140273 299294332 /nfs/dbraw/zinc/29/43/32/299294332.db2.gz NIHZRWCBQCNGKE-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cc[nH+]c(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000339054101 366631432 /nfs/dbraw/zinc/63/14/32/366631432.db2.gz LMUGWWNWHPNHTD-MRXNPFEDSA-N 2 1 289.423 2.471 20 0 CEADMP Cc1cn2c(n1)[C@H](C[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000339066891 366638744 /nfs/dbraw/zinc/63/87/44/366638744.db2.gz ITVXWPZLWPPJNZ-JYJNAYRXSA-N 2 1 288.439 2.285 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2-n2cccn2)[C@H](C)C1 ZINC000151448225 366645051 /nfs/dbraw/zinc/64/50/51/366645051.db2.gz SACJQIXDTKWVJU-ZBFHGGJFSA-N 2 1 299.422 2.087 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2-n2cccn2)[C@H](C)C1 ZINC000151448225 366645056 /nfs/dbraw/zinc/64/50/56/366645056.db2.gz SACJQIXDTKWVJU-ZBFHGGJFSA-N 2 1 299.422 2.087 20 0 CEADMP CC[C@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000339133462 366668325 /nfs/dbraw/zinc/66/83/25/366668325.db2.gz BOSGHSPUIBBJKB-HNNXBMFYSA-N 2 1 277.412 2.170 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579673442 366679420 /nfs/dbraw/zinc/67/94/20/366679420.db2.gz DIJGVJFOPDEMES-XGUBFFRZSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)CC(N)=O)CC1 ZINC000341963084 216167868 /nfs/dbraw/zinc/16/78/68/216167868.db2.gz JLJZJHQKQCZJDC-UONOGXRCSA-N 2 1 289.423 2.066 20 0 CEADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CCCCC1 ZINC000305169101 283562575 /nfs/dbraw/zinc/56/25/75/283562575.db2.gz ZHXBKEJGCHFGRE-LSDHHAIUSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000179243234 189180076 /nfs/dbraw/zinc/18/00/76/189180076.db2.gz KXRRAMCUGXVZAZ-KRWDZBQOSA-N 2 1 289.467 2.359 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342146567 216237632 /nfs/dbraw/zinc/23/76/32/216237632.db2.gz TXEDQPSSKMKFQE-KKUMJFAQSA-N 2 1 284.407 2.202 20 0 CEADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000675817583 540876216 /nfs/dbraw/zinc/87/62/16/540876216.db2.gz TVCVIJUZMXIACC-VNHYZAJKSA-N 2 1 262.397 2.396 20 0 CEADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000675817583 540876217 /nfs/dbraw/zinc/87/62/17/540876217.db2.gz TVCVIJUZMXIACC-VNHYZAJKSA-N 2 1 262.397 2.396 20 0 CEADMP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880245 540878458 /nfs/dbraw/zinc/87/84/58/540878458.db2.gz COZZCPVFRREBPQ-GOEBONIOSA-N 2 1 298.471 2.423 20 0 CEADMP C[C@H](CCc1cccn1C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000675903340 540881309 /nfs/dbraw/zinc/88/13/09/540881309.db2.gz CGGPIYXLKDGKTA-ILXRZTDVSA-N 2 1 263.429 2.419 20 0 CEADMP C[C@H](CCc1cccn1C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000675903340 540881310 /nfs/dbraw/zinc/88/13/10/540881310.db2.gz CGGPIYXLKDGKTA-ILXRZTDVSA-N 2 1 263.429 2.419 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnn3ccccc23)CCN1C ZINC000179905454 189227042 /nfs/dbraw/zinc/22/70/42/189227042.db2.gz FQXVEVFCEQUOPE-HIFRSBDPSA-N 2 1 272.396 2.249 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnn3ccccc23)CCN1C ZINC000179905454 189227043 /nfs/dbraw/zinc/22/70/43/189227043.db2.gz FQXVEVFCEQUOPE-HIFRSBDPSA-N 2 1 272.396 2.249 20 0 CEADMP Cc1cccc([C@@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181405764 189296182 /nfs/dbraw/zinc/29/61/82/189296182.db2.gz UEMOKCNYSTUGCZ-BMFZPTHFSA-N 2 1 262.397 2.101 20 0 CEADMP CO[C@H](C[NH2+]CCCCn1cc[nH+]c1C)C1CCOCC1 ZINC000638675507 370678583 /nfs/dbraw/zinc/67/85/83/370678583.db2.gz UHAMCCNWUTWJKN-MRXNPFEDSA-N 2 1 295.427 2.003 20 0 CEADMP Cc1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)sn1 ZINC000638682373 370681743 /nfs/dbraw/zinc/68/17/43/370681743.db2.gz VGGDACRKMAWGHF-OKILXGFUSA-N 2 1 297.468 2.431 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)CCc2ccccc2)CC[N@@H+]1C ZINC000182438746 189323272 /nfs/dbraw/zinc/32/32/72/189323272.db2.gz BPZIBBYHYMRGJO-CGTJXYLNSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)CCc2ccccc2)CC[N@H+]1C ZINC000182438746 189323273 /nfs/dbraw/zinc/32/32/73/189323273.db2.gz BPZIBBYHYMRGJO-CGTJXYLNSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)C[C@H](O)CCc2ccccc2)CC[NH+]1C ZINC000182438746 189323274 /nfs/dbraw/zinc/32/32/74/189323274.db2.gz BPZIBBYHYMRGJO-CGTJXYLNSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)C[C@H](O)CCc2ccccc2)CC[NH+]1C ZINC000182438746 189323275 /nfs/dbraw/zinc/32/32/75/189323275.db2.gz BPZIBBYHYMRGJO-CGTJXYLNSA-N 2 1 290.451 2.395 20 0 CEADMP CCc1nc(N[C@H](C)C(C)(C)C[NH+](C)C)cc(C)[nH+]1 ZINC000342354564 216322015 /nfs/dbraw/zinc/32/20/15/216322015.db2.gz ZWLVPSODGCMUHZ-GFCCVEGCSA-N 2 1 264.417 2.158 20 0 CEADMP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261646674 291270915 /nfs/dbraw/zinc/27/09/15/291270915.db2.gz DRIGGBJXJKGYDO-ONGXEEELSA-N 2 1 250.308 2.259 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000154571680 366779752 /nfs/dbraw/zinc/77/97/52/366779752.db2.gz RASIDUWGBSLOQH-UONOGXRCSA-N 2 1 292.427 2.127 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000581543923 366793174 /nfs/dbraw/zinc/79/31/74/366793174.db2.gz ZWTKBLUVBARJNP-SJORKVTESA-N 2 1 282.472 2.495 20 0 CEADMP Cc1nccc([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000678072978 541077112 /nfs/dbraw/zinc/07/71/12/541077112.db2.gz HCJOYLREBKNCSP-CVEARBPZSA-N 2 1 288.439 2.449 20 0 CEADMP Cc1nccc([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000678072978 541077115 /nfs/dbraw/zinc/07/71/15/541077115.db2.gz HCJOYLREBKNCSP-CVEARBPZSA-N 2 1 288.439 2.449 20 0 CEADMP Cc1nccc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000678072978 541077119 /nfs/dbraw/zinc/07/71/19/541077119.db2.gz HCJOYLREBKNCSP-CVEARBPZSA-N 2 1 288.439 2.449 20 0 CEADMP Cc1nccc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000678072978 541077123 /nfs/dbraw/zinc/07/71/23/541077123.db2.gz HCJOYLREBKNCSP-CVEARBPZSA-N 2 1 288.439 2.449 20 0 CEADMP Cc1[nH+]ccn1CCCCN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000678079527 541078399 /nfs/dbraw/zinc/07/83/99/541078399.db2.gz PELNSFJXGIXIDW-INIZCTEOSA-N 2 1 278.444 2.434 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@H]2CCCO2)cc1 ZINC000678133204 541086478 /nfs/dbraw/zinc/08/64/78/541086478.db2.gz VHQJHTQRTYNOOR-QGZVFWFLSA-N 2 1 292.423 2.238 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000156046638 366826214 /nfs/dbraw/zinc/82/62/14/366826214.db2.gz UJVRLAXTAJGESZ-URGYJCLVSA-N 2 1 282.428 2.181 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000156046638 366826215 /nfs/dbraw/zinc/82/62/15/366826215.db2.gz UJVRLAXTAJGESZ-URGYJCLVSA-N 2 1 282.428 2.181 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCCO1 ZINC000678239356 541098175 /nfs/dbraw/zinc/09/81/75/541098175.db2.gz ZUIBAEMQQYWSCF-HNNXBMFYSA-N 2 1 292.423 2.238 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccnc1 ZINC000678429229 541134252 /nfs/dbraw/zinc/13/42/52/541134252.db2.gz UTGPKRRRZYHOSE-PBHICJAKSA-N 2 1 289.423 2.376 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000050248466 541321040 /nfs/dbraw/zinc/32/10/40/541321040.db2.gz CBFNAHDQWSLKMN-NSHDSACASA-N 2 1 254.374 2.198 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ncccc2Cl)[C@H](C)C1 ZINC000090408313 364055764 /nfs/dbraw/zinc/05/57/64/364055764.db2.gz RPYWKHTWSWDREB-OCCSQVGLSA-N 2 1 297.830 2.434 20 0 CEADMP CC(C)(O)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000092711121 364101796 /nfs/dbraw/zinc/10/17/96/364101796.db2.gz SOPNMORHVRBYKI-UHFFFAOYSA-N 2 1 254.418 2.098 20 0 CEADMP CC[C@H](C)C[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000093061534 364136560 /nfs/dbraw/zinc/13/65/60/364136560.db2.gz HUCWZKWPRPKHSK-HNNXBMFYSA-N 2 1 255.450 2.040 20 0 CEADMP C[NH2+]CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000237293033 370706718 /nfs/dbraw/zinc/70/67/18/370706718.db2.gz LKCCQYZOYKOXJD-ZDUSSCGKSA-N 2 1 275.396 2.219 20 0 CEADMP C[NH+]1CCC([N@@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000334670054 364158983 /nfs/dbraw/zinc/15/89/83/364158983.db2.gz KFYCWOPAAXPYAH-AWEZNQCLSA-N 2 1 254.443 2.300 20 0 CEADMP C[NH+]1CCC([N@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000334670054 364158992 /nfs/dbraw/zinc/15/89/92/364158992.db2.gz KFYCWOPAAXPYAH-AWEZNQCLSA-N 2 1 254.443 2.300 20 0 CEADMP C[NH+](C)C[C@@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000334673325 364162688 /nfs/dbraw/zinc/16/26/88/364162688.db2.gz DPXVYARFTMLVIH-JTQLQIEISA-N 2 1 284.201 2.232 20 0 CEADMP COc1cc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)ccn1 ZINC000093516418 364197622 /nfs/dbraw/zinc/19/76/22/364197622.db2.gz SQDNOTOBYPXNSF-DZGCQCFKSA-N 2 1 277.412 2.491 20 0 CEADMP C[N@@H+](CCOc1ccc(F)cc1)CC(C)(C)C[NH3+] ZINC000093874234 364238811 /nfs/dbraw/zinc/23/88/11/364238811.db2.gz GVLFQGAQHCFBRN-UHFFFAOYSA-N 2 1 254.349 2.121 20 0 CEADMP C[C@H]1C[N@@H+](CCCOc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000094341267 364267318 /nfs/dbraw/zinc/26/73/18/364267318.db2.gz VFMFLWLMYMVRNH-WFASDCNBSA-N 2 1 266.360 2.264 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000356589826 370765926 /nfs/dbraw/zinc/76/59/26/370765926.db2.gz AJNZLCWYXUYHDV-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334993266 364321585 /nfs/dbraw/zinc/32/15/85/364321585.db2.gz OCHZLBVAVPWLTM-SFHVURJKSA-N 2 1 298.434 2.191 20 0 CEADMP C[N@@H+](Cc1ccc(Cl)nc1)C[C@H]1CCC[NH2+]C1 ZINC000095071149 364331223 /nfs/dbraw/zinc/33/12/23/364331223.db2.gz VTKLFVQOWHFCKJ-NSHDSACASA-N 2 1 253.777 2.166 20 0 CEADMP C[N@H+](Cc1ccc(Cl)nc1)C[C@H]1CCC[NH2+]C1 ZINC000095071149 364331230 /nfs/dbraw/zinc/33/12/30/364331230.db2.gz VTKLFVQOWHFCKJ-NSHDSACASA-N 2 1 253.777 2.166 20 0 CEADMP Cc1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000334867384 364279014 /nfs/dbraw/zinc/27/90/14/364279014.db2.gz DEXNUTCFKMVFCX-TZMCWYRMSA-N 2 1 265.426 2.416 20 0 CEADMP Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000334867384 364279020 /nfs/dbraw/zinc/27/90/20/364279020.db2.gz DEXNUTCFKMVFCX-TZMCWYRMSA-N 2 1 265.426 2.416 20 0 CEADMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000335022377 364364751 /nfs/dbraw/zinc/36/47/51/364364751.db2.gz LBGQEFXJQFMMLJ-UONOGXRCSA-N 2 1 257.381 2.456 20 0 CEADMP Cc1[nH+]ccn1CC[NH+]1CCC2(CCOCC2)CC1 ZINC000335071444 364432642 /nfs/dbraw/zinc/43/26/42/364432642.db2.gz KFMHTBKCAHBYTB-UHFFFAOYSA-N 2 1 263.385 2.084 20 0 CEADMP Cc1ccn2cc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)nc2c1 ZINC000581894991 366834295 /nfs/dbraw/zinc/83/42/95/366834295.db2.gz OJCQUJOCTMDHLS-CHWSQXEVSA-N 2 1 258.369 2.002 20 0 CEADMP c1cnn(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000103229141 364635350 /nfs/dbraw/zinc/63/53/50/364635350.db2.gz WKZIHKKQZFLZKX-KRWDZBQOSA-N 2 1 290.455 2.471 20 0 CEADMP c1cnn(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000103229141 364635355 /nfs/dbraw/zinc/63/53/55/364635355.db2.gz WKZIHKKQZFLZKX-KRWDZBQOSA-N 2 1 290.455 2.471 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000104291338 364690783 /nfs/dbraw/zinc/69/07/83/364690783.db2.gz ZOQRLBYGSQCBKT-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP Cc1cc(NC[C@H]2CCC[N@@H+]2C)nc(-c2ccncc2)n1 ZINC000112076677 364771899 /nfs/dbraw/zinc/77/18/99/364771899.db2.gz WNLYWZCOYXVZBL-CQSZACIVSA-N 2 1 283.379 2.353 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000335638010 212352700 /nfs/dbraw/zinc/35/27/00/212352700.db2.gz ZQTZWOZNLMDYQV-CHWSQXEVSA-N 2 1 265.426 2.273 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(C[NH3+])cc2)C[C@@H]1C ZINC000335635557 212350620 /nfs/dbraw/zinc/35/06/20/212350620.db2.gz RTGZJZGZHYTBNO-QWHCGFSZSA-N 2 1 290.411 2.092 20 0 CEADMP [NH3+]CC1(O)CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000335624264 212337070 /nfs/dbraw/zinc/33/70/70/212337070.db2.gz ASZRZHQDPYXPPC-UHFFFAOYSA-N 2 1 289.206 2.279 20 0 CEADMP CC(C)(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000112675152 364825390 /nfs/dbraw/zinc/82/53/90/364825390.db2.gz QURYKQPYWSPZRC-UHFFFAOYSA-N 2 1 276.424 2.054 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000335631309 212345183 /nfs/dbraw/zinc/34/51/83/212345183.db2.gz AGADRCZEEPLLFE-CVEARBPZSA-N 2 1 259.397 2.212 20 0 CEADMP Cc1ccn2c(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cnc2c1 ZINC000335631942 212345272 /nfs/dbraw/zinc/34/52/72/212345272.db2.gz DEKDFTJQCXSODG-CVEARBPZSA-N 2 1 298.434 2.464 20 0 CEADMP Cc1ncccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335631351 212344548 /nfs/dbraw/zinc/34/45/48/212344548.db2.gz BBHOWYBGSONEKY-ZBFHGGJFSA-N 2 1 259.397 2.212 20 0 CEADMP C[N@H+]1CC[C@@H]2CCN(Cc3ccc(-c4cc[nH]n4)o3)[C@@H]2C1 ZINC000335731054 364898942 /nfs/dbraw/zinc/89/89/42/364898942.db2.gz XBCNTJDRJBFVRM-IUODEOHRSA-N 2 1 286.379 2.196 20 0 CEADMP CN1CC[C@@H]2CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)[C@@H]2C1 ZINC000335731054 364898951 /nfs/dbraw/zinc/89/89/51/364898951.db2.gz XBCNTJDRJBFVRM-IUODEOHRSA-N 2 1 286.379 2.196 20 0 CEADMP CN1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)[C@@H]2C1 ZINC000335731054 364898954 /nfs/dbraw/zinc/89/89/54/364898954.db2.gz XBCNTJDRJBFVRM-IUODEOHRSA-N 2 1 286.379 2.196 20 0 CEADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1C ZINC000335731306 364899071 /nfs/dbraw/zinc/89/90/71/364899071.db2.gz MEJXXLMCPZYLTR-KBPBESRZSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1csc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)n1 ZINC000117385191 365105617 /nfs/dbraw/zinc/10/56/17/365105617.db2.gz NQQKOXGNGNJQEN-JTQLQIEISA-N 2 1 264.398 2.382 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCCC[NH+]1CCCC1 ZINC000357119565 370806824 /nfs/dbraw/zinc/80/68/24/370806824.db2.gz UCXJCGAYJYPHSK-IYBDPMFKSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCCC(C)C)[C@H](C)C1 ZINC000119532066 365287018 /nfs/dbraw/zinc/28/70/18/365287018.db2.gz SXKSPLKNSRHPRO-HUUCEWRRSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000119784655 365325732 /nfs/dbraw/zinc/32/57/32/365325732.db2.gz PIMRJWLVDBQDFV-WMLDXEAASA-N 2 1 274.408 2.418 20 0 CEADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000340419658 366878749 /nfs/dbraw/zinc/87/87/49/366878749.db2.gz YPXYHVQRVIIQQZ-ZJIFWQFVSA-N 2 1 295.471 2.001 20 0 CEADMP CCN(CC)C(=O)C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000120067615 365368586 /nfs/dbraw/zinc/36/85/86/365368586.db2.gz WSXJMXVIOUOGGW-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CSCC[N@@H+](C)[C@H]1CCC[NH+](CCSC)CC1 ZINC000121028689 365514053 /nfs/dbraw/zinc/51/40/53/365514053.db2.gz DNEHGFSFRUDGEN-ZDUSSCGKSA-N 2 1 276.515 2.499 20 0 CEADMP CSCC[NH+](C)[C@H]1CCC[N@H+](CCSC)CC1 ZINC000121028689 365514058 /nfs/dbraw/zinc/51/40/58/365514058.db2.gz DNEHGFSFRUDGEN-ZDUSSCGKSA-N 2 1 276.515 2.499 20 0 CEADMP CSCC[NH+](C)[C@H]1CCC[N@@H+](CCSC)CC1 ZINC000121028689 365514063 /nfs/dbraw/zinc/51/40/63/365514063.db2.gz DNEHGFSFRUDGEN-ZDUSSCGKSA-N 2 1 276.515 2.499 20 0 CEADMP c1cc2c(c(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c1)NCC2 ZINC000336151585 365480823 /nfs/dbraw/zinc/48/08/23/365480823.db2.gz INYUYBOUSUSJTI-QGZVFWFLSA-N 2 1 271.408 2.230 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)C2CCCCC2)CC[N@H+]1C ZINC000340489520 366905858 /nfs/dbraw/zinc/90/58/58/366905858.db2.gz XLYBRZOGDIQDCR-FVQBIDKESA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)C2CCCCC2)CC[N@H+]1C ZINC000340489524 366906203 /nfs/dbraw/zinc/90/62/03/366906203.db2.gz XLYBRZOGDIQDCR-VNQPRFMTSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000582485204 366916790 /nfs/dbraw/zinc/91/67/90/366916790.db2.gz FBDBJRIHXMJTKS-JKSUJKDBSA-N 2 1 289.423 2.067 20 0 CEADMP CC/C=C\CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000681023127 541490006 /nfs/dbraw/zinc/49/00/06/541490006.db2.gz DXGHGOBXLQMXNT-DJAVDHGHSA-N 2 1 279.472 2.301 20 0 CEADMP COCC[N@H+](C)CC[C@H]([NH2+]CC(C)(C)O)c1ccccc1 ZINC000583079433 366997422 /nfs/dbraw/zinc/99/74/22/366997422.db2.gz UGVRFFOCGCJSNJ-INIZCTEOSA-N 2 1 294.439 2.057 20 0 CEADMP COCC[N@@H+](C)CC[C@H]([NH2+]CC(C)(C)O)c1ccccc1 ZINC000583079433 366997430 /nfs/dbraw/zinc/99/74/30/366997430.db2.gz UGVRFFOCGCJSNJ-INIZCTEOSA-N 2 1 294.439 2.057 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC000340689033 366990099 /nfs/dbraw/zinc/99/00/99/366990099.db2.gz INJWSIMLDWYQPS-HNNXBMFYSA-N 2 1 297.468 2.384 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC000340689033 366990105 /nfs/dbraw/zinc/99/01/05/366990105.db2.gz INJWSIMLDWYQPS-HNNXBMFYSA-N 2 1 297.468 2.384 20 0 CEADMP CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000340714764 367000475 /nfs/dbraw/zinc/00/04/75/367000475.db2.gz ZHNWSFNRDVFXDQ-IRXDYDNUSA-N 2 1 276.424 2.259 20 0 CEADMP COc1ccc(C[NH+](C)C)cc1NCc1c[nH+]c(C)n1C ZINC000583155318 367009240 /nfs/dbraw/zinc/00/92/40/367009240.db2.gz QKILTXPPZQMULA-UHFFFAOYSA-N 2 1 288.395 2.411 20 0 CEADMP C[NH+](C)CCC[N@H+](C)Cc1cc2ccccc2[nH]c1=O ZINC000583591950 367069962 /nfs/dbraw/zinc/06/99/62/367069962.db2.gz MASUEPCEPANZAQ-UHFFFAOYSA-N 2 1 273.380 2.324 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)Cc1cc2ccccc2[nH]c1=O ZINC000583591950 367069965 /nfs/dbraw/zinc/06/99/65/367069965.db2.gz MASUEPCEPANZAQ-UHFFFAOYSA-N 2 1 273.380 2.324 20 0 CEADMP C[C@H]([NH2+][C@@H]1COc2ccc(F)cc21)[C@@H]1CCC[NH2+]C1 ZINC000583806502 367100093 /nfs/dbraw/zinc/10/00/93/367100093.db2.gz MUNDWOHMBBFUSC-MISXGVKJSA-N 2 1 264.344 2.237 20 0 CEADMP CC[NH+](CC)[C@@H](C)CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000357457833 370819131 /nfs/dbraw/zinc/81/91/31/370819131.db2.gz PQLPTXAJWJCCJR-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000357542926 370821375 /nfs/dbraw/zinc/82/13/75/370821375.db2.gz CEKLMIPLUQJPMR-CQSZACIVSA-N 2 1 291.443 2.029 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000357542926 370821378 /nfs/dbraw/zinc/82/13/78/370821378.db2.gz CEKLMIPLUQJPMR-CQSZACIVSA-N 2 1 291.443 2.029 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245566969 370841004 /nfs/dbraw/zinc/84/10/04/370841004.db2.gz FHJIDVFCMMIKQO-LZLYRXPVSA-N 2 1 291.483 2.419 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245566969 370841009 /nfs/dbraw/zinc/84/10/09/370841009.db2.gz FHJIDVFCMMIKQO-LZLYRXPVSA-N 2 1 291.483 2.419 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245566969 370841016 /nfs/dbraw/zinc/84/10/16/370841016.db2.gz FHJIDVFCMMIKQO-LZLYRXPVSA-N 2 1 291.483 2.419 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000162867792 367199633 /nfs/dbraw/zinc/19/96/33/367199633.db2.gz ONEGQEIJANJVOL-KBPBESRZSA-N 2 1 262.401 2.073 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000162867792 367199636 /nfs/dbraw/zinc/19/96/36/367199636.db2.gz ONEGQEIJANJVOL-KBPBESRZSA-N 2 1 262.401 2.073 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000162867792 367199638 /nfs/dbraw/zinc/19/96/38/367199638.db2.gz ONEGQEIJANJVOL-KBPBESRZSA-N 2 1 262.401 2.073 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000162932501 367204705 /nfs/dbraw/zinc/20/47/05/367204705.db2.gz RZCBWKCFXSCQFG-HNNXBMFYSA-N 2 1 273.384 2.152 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000162932501 367204708 /nfs/dbraw/zinc/20/47/08/367204708.db2.gz RZCBWKCFXSCQFG-HNNXBMFYSA-N 2 1 273.384 2.152 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000341184721 367212330 /nfs/dbraw/zinc/21/23/30/367212330.db2.gz JWTLKKXWUUBSOY-IMJJTQAJSA-N 2 1 289.423 2.238 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245596262 370847308 /nfs/dbraw/zinc/84/73/08/370847308.db2.gz HODXRPCZRKQHQT-UKRRQHHQSA-N 2 1 276.428 2.214 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245596262 370847315 /nfs/dbraw/zinc/84/73/15/370847315.db2.gz HODXRPCZRKQHQT-UKRRQHHQSA-N 2 1 276.428 2.214 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000245596262 370847322 /nfs/dbraw/zinc/84/73/22/370847322.db2.gz HODXRPCZRKQHQT-UKRRQHHQSA-N 2 1 276.428 2.214 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000245596262 370847325 /nfs/dbraw/zinc/84/73/25/370847325.db2.gz HODXRPCZRKQHQT-UKRRQHHQSA-N 2 1 276.428 2.214 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cccs2)CC1 ZINC000163266049 367227851 /nfs/dbraw/zinc/22/78/51/367227851.db2.gz VINPKYIWJJLLKX-UHFFFAOYSA-N 2 1 290.436 2.465 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000163377138 367236156 /nfs/dbraw/zinc/23/61/56/367236156.db2.gz MUZCPZOOVSZWNF-JSGCOSHPSA-N 2 1 278.396 2.121 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000341337066 367290892 /nfs/dbraw/zinc/29/08/92/367290892.db2.gz BAFXFOVHZYMUFT-ZDUSSCGKSA-N 2 1 289.414 2.037 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(C)n1 ZINC000165292571 367305522 /nfs/dbraw/zinc/30/55/22/367305522.db2.gz YCEDTLCNUJVWNY-OLZOCXBDSA-N 2 1 276.428 2.476 20 0 CEADMP Cc1cc(CO)cc(N2CCC(C)([NH+]3CCCC3)CC2)[nH+]1 ZINC000631445162 367321744 /nfs/dbraw/zinc/32/17/44/367321744.db2.gz HFNFUNCWYXIORA-UHFFFAOYSA-N 2 1 289.423 2.337 20 0 CEADMP C[C@@H]1C[C@@H](NC2CC[NH+](C3CCCC3)CC2)CC[N@H+]1C ZINC000166399973 367322272 /nfs/dbraw/zinc/32/22/72/367322272.db2.gz XYGLASRLLCINBT-ZBFHGGJFSA-N 2 1 279.472 2.466 20 0 CEADMP CC[N@@H+](CCN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C)C(C)C ZINC000341902758 367378925 /nfs/dbraw/zinc/37/89/25/367378925.db2.gz VOVDOXZELSXQKP-QLFBSQMISA-N 2 1 255.450 2.035 20 0 CEADMP CC[NH+](CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C(C)C ZINC000341902758 367378929 /nfs/dbraw/zinc/37/89/29/367378929.db2.gz VOVDOXZELSXQKP-QLFBSQMISA-N 2 1 255.450 2.035 20 0 CEADMP CC[NH+](CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C(C)C ZINC000341902758 367378932 /nfs/dbraw/zinc/37/89/32/367378932.db2.gz VOVDOXZELSXQKP-QLFBSQMISA-N 2 1 255.450 2.035 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631576949 367413027 /nfs/dbraw/zinc/41/30/27/367413027.db2.gz DUVVHLBUAHPEFT-BARDWOONSA-N 2 1 266.429 2.264 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631583064 367417712 /nfs/dbraw/zinc/41/77/12/367417712.db2.gz VROGEERRXJBLRO-CJNGLKHVSA-N 2 1 259.397 2.390 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000631609395 367439055 /nfs/dbraw/zinc/43/90/55/367439055.db2.gz WTKQVISHBGKITH-JYJNAYRXSA-N 2 1 276.424 2.186 20 0 CEADMP C([C@H]1CCCCO1)[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000631827256 367566301 /nfs/dbraw/zinc/56/63/01/367566301.db2.gz JOPRUZLILQOENM-RBSFLKMASA-N 2 1 252.402 2.020 20 0 CEADMP c1[nH]nc2cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc12 ZINC000342806311 367548672 /nfs/dbraw/zinc/54/86/72/367548672.db2.gz PIOKSEQTVHYKJJ-JKSUJKDBSA-N 2 1 284.407 2.322 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2(O)CCC2)[C@H](C)C1 ZINC000342808320 367549174 /nfs/dbraw/zinc/54/91/74/367549174.db2.gz BNCURDBJAWMKFB-CVEARBPZSA-N 2 1 298.471 2.018 20 0 CEADMP C[C@H]1C[N@H+](CCc2cccc3c2OC(F)(F)O3)CC[C@@H]1[NH3+] ZINC000631821545 367559400 /nfs/dbraw/zinc/55/94/00/367559400.db2.gz AYHBAVHICZZGDP-JQWIXIFHSA-N 2 1 298.333 2.220 20 0 CEADMP C[C@H]1C[N@@H+](CCc2cccc3c2OC(F)(F)O3)CC[C@@H]1[NH3+] ZINC000631821545 367559404 /nfs/dbraw/zinc/55/94/04/367559404.db2.gz AYHBAVHICZZGDP-JQWIXIFHSA-N 2 1 298.333 2.220 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc3c2CCOC3)CC[C@H]1[NH3+] ZINC000631824887 367562447 /nfs/dbraw/zinc/56/24/47/367562447.db2.gz TTZPLKBZJQGTTA-SUMWQHHRSA-N 2 1 274.408 2.319 20 0 CEADMP CCC1CC([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000342740920 367508933 /nfs/dbraw/zinc/50/89/33/367508933.db2.gz VQFMPRHIIMFLBL-UHFFFAOYSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc2c1CCOC2 ZINC000631829208 367567418 /nfs/dbraw/zinc/56/74/18/367567418.db2.gz KDXAYCGKEQTVLN-WFASDCNBSA-N 2 1 260.381 2.071 20 0 CEADMP C[C@H]1C[N@H+](Cc2nc3ccccc3s2)C[C@H]1C[NH3+] ZINC000631838275 367578732 /nfs/dbraw/zinc/57/87/32/367578732.db2.gz LJHIRDQQAOKYMX-WDEREUQCSA-N 2 1 261.394 2.323 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nc3ccccc3s2)C[C@H]1C[NH3+] ZINC000631838275 367578737 /nfs/dbraw/zinc/57/87/37/367578737.db2.gz LJHIRDQQAOKYMX-WDEREUQCSA-N 2 1 261.394 2.323 20 0 CEADMP OCC[NH2+]C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000631863996 367599974 /nfs/dbraw/zinc/59/99/74/367599974.db2.gz JCFFMVUZGCVBJK-UHFFFAOYSA-N 2 1 284.403 2.386 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H]2CCC[C@H]21 ZINC000681710511 541586306 /nfs/dbraw/zinc/58/63/06/541586306.db2.gz SYRLNNHHSIWYGV-OKZBNKHCSA-N 2 1 288.435 2.354 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H]2CCC[C@H]21 ZINC000681710511 541586308 /nfs/dbraw/zinc/58/63/08/541586308.db2.gz SYRLNNHHSIWYGV-OKZBNKHCSA-N 2 1 288.435 2.354 20 0 CEADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000681710511 541586312 /nfs/dbraw/zinc/58/63/12/541586312.db2.gz SYRLNNHHSIWYGV-OKZBNKHCSA-N 2 1 288.435 2.354 20 0 CEADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000681710511 541586314 /nfs/dbraw/zinc/58/63/14/541586314.db2.gz SYRLNNHHSIWYGV-OKZBNKHCSA-N 2 1 288.435 2.354 20 0 CEADMP COc1ccccc1OCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886099 367609575 /nfs/dbraw/zinc/60/95/75/367609575.db2.gz FRFADJZLVOREMS-LSDHHAIUSA-N 2 1 290.407 2.148 20 0 CEADMP COc1ccccc1OCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886099 367609579 /nfs/dbraw/zinc/60/95/79/367609579.db2.gz FRFADJZLVOREMS-LSDHHAIUSA-N 2 1 290.407 2.148 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](NCCC[NH+](C)Cc2ccccc2)C1 ZINC000343065464 367654605 /nfs/dbraw/zinc/65/46/05/367654605.db2.gz LNODBRGHPWJLEK-SJLPKXTDSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+]1C[C@@H](C)[C@H](NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000343065464 367654611 /nfs/dbraw/zinc/65/46/11/367654611.db2.gz LNODBRGHPWJLEK-SJLPKXTDSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+]1C[C@@H](C)[C@H](NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000343065464 367654618 /nfs/dbraw/zinc/65/46/18/367654618.db2.gz LNODBRGHPWJLEK-SJLPKXTDSA-N 2 1 289.467 2.438 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1O ZINC000245835253 370877584 /nfs/dbraw/zinc/87/75/84/370877584.db2.gz ALQOLQVXARLNGC-HUUCEWRRSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1O ZINC000245835253 370877586 /nfs/dbraw/zinc/87/75/86/370877586.db2.gz ALQOLQVXARLNGC-HUUCEWRRSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1O ZINC000245835253 370877587 /nfs/dbraw/zinc/87/75/87/370877587.db2.gz ALQOLQVXARLNGC-HUUCEWRRSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1O ZINC000245835253 370877590 /nfs/dbraw/zinc/87/75/90/370877590.db2.gz ALQOLQVXARLNGC-HUUCEWRRSA-N 2 1 290.407 2.317 20 0 CEADMP c1csc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000358038936 370879855 /nfs/dbraw/zinc/87/98/55/370879855.db2.gz PPYDSTIARVLQCT-OLZOCXBDSA-N 2 1 265.426 2.292 20 0 CEADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000343439486 367816424 /nfs/dbraw/zinc/81/64/24/367816424.db2.gz KREHQTYXLXQMAP-BZUAXINKSA-N 2 1 267.461 2.038 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245876151 370882668 /nfs/dbraw/zinc/88/26/68/370882668.db2.gz KFUBVWQCGHWZGM-SLBVQIDZSA-N 2 1 289.423 2.375 20 0 CEADMP COC[C@@H](CC(C)C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000358078090 370895314 /nfs/dbraw/zinc/89/53/14/370895314.db2.gz DIJIOZPYTWCRBS-UKRRQHHQSA-N 2 1 267.417 2.478 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000343581238 367897594 /nfs/dbraw/zinc/89/75/94/367897594.db2.gz WRCDKTGWRYBICF-KGLIPLIRSA-N 2 1 283.460 2.144 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](CO)CC1CCCC1 ZINC000343589163 367901633 /nfs/dbraw/zinc/90/16/33/367901633.db2.gz FSYTXXHQJBVQIE-BMFZPTHFSA-N 2 1 268.445 2.105 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000343882817 368055896 /nfs/dbraw/zinc/05/58/96/368055896.db2.gz QWDYOYLZGATVKF-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000344296371 368118560 /nfs/dbraw/zinc/11/85/60/368118560.db2.gz LXEARWFOSULZGP-RBSFLKMASA-N 2 1 268.445 2.248 20 0 CEADMP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178970093 368318941 /nfs/dbraw/zinc/31/89/41/368318941.db2.gz VNYOTPKNEPFHQL-ZBFHGGJFSA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](OC)C(F)(F)F)[C@@H](C)C1 ZINC000345473727 368289273 /nfs/dbraw/zinc/28/92/73/368289273.db2.gz AXSFMBXOTCCXOK-SDDRHHMPSA-N 2 1 282.350 2.274 20 0 CEADMP Cc1cncc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000682367229 541655314 /nfs/dbraw/zinc/65/53/14/541655314.db2.gz HRWIUBZDQGEHEU-UHFFFAOYSA-N 2 1 268.364 2.107 20 0 CEADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[NH+](CC)CC ZINC000345792242 368423501 /nfs/dbraw/zinc/42/35/01/368423501.db2.gz CGMLRPNPRQYIEI-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CCOC1CC(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000353286010 220008586 /nfs/dbraw/zinc/00/85/86/220008586.db2.gz CAQAJGKYBZHFKI-PPWQZUPISA-N 2 1 254.418 2.121 20 0 CEADMP COCC[N@H+](CCn1cc[nH+]c1C)Cc1cccs1 ZINC000346240997 368602878 /nfs/dbraw/zinc/60/28/78/368602878.db2.gz QNTGLVBBXGPDDN-UHFFFAOYSA-N 2 1 279.409 2.402 20 0 CEADMP COCC[N@@H+](CCn1cc[nH+]c1C)Cc1cccs1 ZINC000346240997 368602881 /nfs/dbraw/zinc/60/28/81/368602881.db2.gz QNTGLVBBXGPDDN-UHFFFAOYSA-N 2 1 279.409 2.402 20 0 CEADMP Cc1noc([C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000346269924 368614276 /nfs/dbraw/zinc/61/42/76/368614276.db2.gz MSTSCALIZXDQTO-CQSZACIVSA-N 2 1 278.400 2.043 20 0 CEADMP Cc1noc([C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000346269924 368614279 /nfs/dbraw/zinc/61/42/79/368614279.db2.gz MSTSCALIZXDQTO-CQSZACIVSA-N 2 1 278.400 2.043 20 0 CEADMP CO[C@@]1(C)C[C@@H]([N@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346279451 368619501 /nfs/dbraw/zinc/61/95/01/368619501.db2.gz PVMRLHLXZVZQHJ-HIFRSBDPSA-N 2 1 265.401 2.327 20 0 CEADMP CO[C@@]1(C)C[C@@H]([N@@H+](C)CCn2cc[nH+]c2C)C1(C)C ZINC000346279451 368619505 /nfs/dbraw/zinc/61/95/05/368619505.db2.gz PVMRLHLXZVZQHJ-HIFRSBDPSA-N 2 1 265.401 2.327 20 0 CEADMP COCC[N@H+]1CC[C@@H](Nc2cnc3c(c2)CCCC3)C1 ZINC000346292694 368623931 /nfs/dbraw/zinc/62/39/31/368623931.db2.gz IKZHRKBITDRGOU-CQSZACIVSA-N 2 1 275.396 2.093 20 0 CEADMP CCCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000346624681 368740438 /nfs/dbraw/zinc/74/04/38/368740438.db2.gz QUJWWRGPPXGFHV-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP C[C@@H]1C[C@H](N(CCC[NH3+])c2ccccc2F)CC[N@H+]1C ZINC000639037224 370916517 /nfs/dbraw/zinc/91/65/17/370916517.db2.gz GVSULUIXPZWRSI-ZIAGYGMSSA-N 2 1 279.403 2.464 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000185206243 368767699 /nfs/dbraw/zinc/76/76/99/368767699.db2.gz GSWYVFRPJADURT-HZPDHXFCSA-N 2 1 298.471 2.279 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000346687070 368769995 /nfs/dbraw/zinc/76/99/95/368769995.db2.gz VANFDOFKLOHAAA-JSGCOSHPSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000346687070 368769998 /nfs/dbraw/zinc/76/99/98/368769998.db2.gz VANFDOFKLOHAAA-JSGCOSHPSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000346691045 368772933 /nfs/dbraw/zinc/77/29/33/368772933.db2.gz UVLGGALDPNROST-WCQYABFASA-N 2 1 284.350 2.500 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346653442 368755018 /nfs/dbraw/zinc/75/50/18/368755018.db2.gz DOCOPBKLIGGFPR-RKWPFYGESA-N 2 1 260.381 2.378 20 0 CEADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)[C@H]1CCCCO1 ZINC000347442928 368809825 /nfs/dbraw/zinc/80/98/25/368809825.db2.gz QMLAJEBJEBFCQW-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP Cc1ccc2ncc(C[N@@H+](C)CC(C)(C)C[NH3+])n2c1 ZINC000346694278 368777420 /nfs/dbraw/zinc/77/74/20/368777420.db2.gz TZZCBFUEUVTRJU-UHFFFAOYSA-N 2 1 260.385 2.059 20 0 CEADMP Cc1ccc2ncc(C[N@H+](C)CC(C)(C)C[NH3+])n2c1 ZINC000346694278 368777425 /nfs/dbraw/zinc/77/74/25/368777425.db2.gz TZZCBFUEUVTRJU-UHFFFAOYSA-N 2 1 260.385 2.059 20 0 CEADMP c1ccc(CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]2CCOC2)cc1 ZINC000346985417 368794628 /nfs/dbraw/zinc/79/46/28/368794628.db2.gz PJENURUFGAJHLK-QZTJIDSGSA-N 2 1 288.435 2.320 20 0 CEADMP O[C@@]1(C[N@@H+]2CC[C@@H]2C2CC2)CC[NH+](Cc2ccccc2)C1 ZINC000634648484 368795969 /nfs/dbraw/zinc/79/59/69/368795969.db2.gz RRZGAMNQHDVUPC-MSOLQXFVSA-N 2 1 286.419 2.108 20 0 CEADMP O[C@@]1(C[N@H+]2CC[C@@H]2C2CC2)CC[NH+](Cc2ccccc2)C1 ZINC000634648484 368795974 /nfs/dbraw/zinc/79/59/74/368795974.db2.gz RRZGAMNQHDVUPC-MSOLQXFVSA-N 2 1 286.419 2.108 20 0 CEADMP O[C@@]1(C[NH+]2CC[C@@H]2C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634648484 368795977 /nfs/dbraw/zinc/79/59/77/368795977.db2.gz RRZGAMNQHDVUPC-MSOLQXFVSA-N 2 1 286.419 2.108 20 0 CEADMP O[C@@]1(C[NH+]2CC[C@@H]2C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634648484 368795982 /nfs/dbraw/zinc/79/59/82/368795982.db2.gz RRZGAMNQHDVUPC-MSOLQXFVSA-N 2 1 286.419 2.108 20 0 CEADMP CC[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000348125501 368910552 /nfs/dbraw/zinc/91/05/52/368910552.db2.gz PCJARWDRANFDDI-RBSFLKMASA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H]([NH2+]CCCCCO)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724058 368849528 /nfs/dbraw/zinc/84/95/28/368849528.db2.gz HFRWRERKYQBUCH-LSDHHAIUSA-N 2 1 268.445 2.392 20 0 CEADMP C([N@@H+]1CCS[C@@H]2CCCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634992965 369022667 /nfs/dbraw/zinc/02/26/67/369022667.db2.gz HQZSQGABFWKPMU-YIFLHPOLSA-N 2 1 252.427 2.098 20 0 CEADMP C([N@H+]1CCS[C@@H]2CCCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634992965 369022671 /nfs/dbraw/zinc/02/26/71/369022671.db2.gz HQZSQGABFWKPMU-YIFLHPOLSA-N 2 1 252.427 2.098 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000634998297 369030033 /nfs/dbraw/zinc/03/00/33/369030033.db2.gz CZBQZISHFOVADB-DGCLKSJQSA-N 2 1 288.395 2.015 20 0 CEADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005423 369041405 /nfs/dbraw/zinc/04/14/05/369041405.db2.gz NKVNDQVCOQPCEU-MWQQHZPXSA-N 2 1 275.440 2.052 20 0 CEADMP CCOC[C@H]([NH2+]CCCn1cc[nH+]c1C)C(C)C ZINC000348445311 369048942 /nfs/dbraw/zinc/04/89/42/369048942.db2.gz SBFNRHHZOUQYRW-AWEZNQCLSA-N 2 1 253.390 2.232 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000635013407 369051241 /nfs/dbraw/zinc/05/12/41/369051241.db2.gz SGXQUWYGYGHRBB-CHWSQXEVSA-N 2 1 265.376 2.074 20 0 CEADMP Fc1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000635013818 369053422 /nfs/dbraw/zinc/05/34/22/369053422.db2.gz WDAYZIFMYOBXGS-FKEKPDDDSA-N 2 1 289.398 2.231 20 0 CEADMP C[C@H](C(=O)Nc1nc(CN2CCCCC2)cs1)[NH+](C)C ZINC000635408339 369160925 /nfs/dbraw/zinc/16/09/25/369160925.db2.gz JYUDBNCAVBFOLI-LLVKDONJSA-N 2 1 296.440 2.018 20 0 CEADMP COC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1 ZINC000682942018 541737762 /nfs/dbraw/zinc/73/77/62/541737762.db2.gz HSGCGTRXKGYYOT-MRXNPFEDSA-N 2 1 296.455 2.179 20 0 CEADMP C[NH+](C)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC000635549159 369214322 /nfs/dbraw/zinc/21/43/22/369214322.db2.gz CNHAJWZZYSUZTQ-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)[NH+](C)C ZINC000635555653 369217018 /nfs/dbraw/zinc/21/70/18/369217018.db2.gz FOJJLVQXSXXXLR-AWEZNQCLSA-N 2 1 294.443 2.099 20 0 CEADMP CCc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000349039949 369226615 /nfs/dbraw/zinc/22/66/15/369226615.db2.gz ZJHKXCUEGXMDDJ-UHFFFAOYSA-N 2 1 293.455 2.300 20 0 CEADMP CCc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000349039949 369226619 /nfs/dbraw/zinc/22/66/19/369226619.db2.gz ZJHKXCUEGXMDDJ-UHFFFAOYSA-N 2 1 293.455 2.300 20 0 CEADMP CC[NH+](CC)C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000635622749 369253693 /nfs/dbraw/zinc/25/36/93/369253693.db2.gz MBWDOGFNADRGII-OAHLLOKOSA-N 2 1 297.487 2.155 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC000635624905 369255390 /nfs/dbraw/zinc/25/53/90/369255390.db2.gz OUABTPFHIPXPJG-OAHLLOKOSA-N 2 1 297.487 2.155 20 0 CEADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC000635624905 369255395 /nfs/dbraw/zinc/25/53/95/369255395.db2.gz OUABTPFHIPXPJG-OAHLLOKOSA-N 2 1 297.487 2.155 20 0 CEADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000635624905 369255400 /nfs/dbraw/zinc/25/54/00/369255400.db2.gz OUABTPFHIPXPJG-OAHLLOKOSA-N 2 1 297.487 2.155 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC2(CCOC2)CC1 ZINC000683141300 541766734 /nfs/dbraw/zinc/76/67/34/541766734.db2.gz CPLONHXOYZWXIH-UHFFFAOYSA-N 2 1 254.418 2.221 20 0 CEADMP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000635752381 369321849 /nfs/dbraw/zinc/32/18/49/369321849.db2.gz LDGRGTXJZYGWQO-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](CC)CCOCCNC1CC[NH+](C(C)(C)C)CC1 ZINC000349664538 369364977 /nfs/dbraw/zinc/36/49/77/369364977.db2.gz MJIAALZCJGTUIE-UHFFFAOYSA-N 2 1 299.503 2.197 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1nccs1 ZINC000349835506 369416909 /nfs/dbraw/zinc/41/69/09/369416909.db2.gz PZGXPRCFSKGGTE-IJLUTSLNSA-N 2 1 253.415 2.176 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCCO1 ZINC000188983622 369437926 /nfs/dbraw/zinc/43/79/26/369437926.db2.gz LIHNRSJUSHUYGM-HNNXBMFYSA-N 2 1 254.418 2.363 20 0 CEADMP CCC[C@H](C[N@H+]1CCCC12CC[NH+](C)CC2)OC ZINC000639082460 370956431 /nfs/dbraw/zinc/95/64/31/370956431.db2.gz RVEILQZMNVSIEN-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP CCC[N@H+](CC)CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC000350001918 369481538 /nfs/dbraw/zinc/48/15/38/369481538.db2.gz IAKYLJIJMMJWOS-UHFFFAOYSA-N 2 1 294.443 2.245 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC000350001918 369481540 /nfs/dbraw/zinc/48/15/40/369481540.db2.gz IAKYLJIJMMJWOS-UHFFFAOYSA-N 2 1 294.443 2.245 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000358251973 370972507 /nfs/dbraw/zinc/97/25/07/370972507.db2.gz NABPSBXFLXBPOP-KBXCAEBGSA-N 2 1 288.435 2.283 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000358251973 370972514 /nfs/dbraw/zinc/97/25/14/370972514.db2.gz NABPSBXFLXBPOP-KBXCAEBGSA-N 2 1 288.435 2.283 20 0 CEADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000358251666 370973198 /nfs/dbraw/zinc/97/31/98/370973198.db2.gz MRVRMALHQOBYQH-GJZGRUSLSA-N 2 1 282.815 2.447 20 0 CEADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000358251666 370973203 /nfs/dbraw/zinc/97/32/03/370973203.db2.gz MRVRMALHQOBYQH-GJZGRUSLSA-N 2 1 282.815 2.447 20 0 CEADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358251044 370973565 /nfs/dbraw/zinc/97/35/65/370973565.db2.gz MFGUWPWISJQDRM-PBHICJAKSA-N 2 1 292.423 2.193 20 0 CEADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358251044 370973569 /nfs/dbraw/zinc/97/35/69/370973569.db2.gz MFGUWPWISJQDRM-PBHICJAKSA-N 2 1 292.423 2.193 20 0 CEADMP Cc1cc([C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C2CC2)ccc1F ZINC000358229304 370962809 /nfs/dbraw/zinc/96/28/09/370962809.db2.gz GJFGBIISBVFPMO-SJORKVTESA-N 2 1 292.398 2.241 20 0 CEADMP Cc1cc([C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C2CC2)ccc1F ZINC000358229304 370962813 /nfs/dbraw/zinc/96/28/13/370962813.db2.gz GJFGBIISBVFPMO-SJORKVTESA-N 2 1 292.398 2.241 20 0 CEADMP Cc1cccn2cc(Cc3noc([C@H]4CC[N@H+](C)C4)n3)nc12 ZINC000350036060 369488314 /nfs/dbraw/zinc/48/83/14/369488314.db2.gz SHNGHDVHUPJGKG-LBPRGKRZSA-N 2 1 297.362 2.036 20 0 CEADMP CCc1ccccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000189292855 369491248 /nfs/dbraw/zinc/49/12/48/369491248.db2.gz AMMXALGBOWPXKU-UHFFFAOYSA-N 2 1 289.467 2.318 20 0 CEADMP Clc1cccnc1OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358280031 370989249 /nfs/dbraw/zinc/98/92/49/370989249.db2.gz BIZHDIBFXLFZQN-OLZOCXBDSA-N 2 1 295.814 2.330 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](C2CCC2)CC1 ZINC000351593498 369642381 /nfs/dbraw/zinc/64/23/81/369642381.db2.gz CYXRKVSGNOYMIU-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP C[C@@H]1C[C@@H](C(=O)NCCC[NH+]2CCCCCC2)CC[N@H+]1C ZINC000351812727 369652558 /nfs/dbraw/zinc/65/25/58/369652558.db2.gz SNPIOAWDMRIBSF-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000351956877 369657377 /nfs/dbraw/zinc/65/73/77/369657377.db2.gz IOVYRFXKDLKSSJ-ILXRZTDVSA-N 2 1 266.429 2.360 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000351956877 369657383 /nfs/dbraw/zinc/65/73/83/369657383.db2.gz IOVYRFXKDLKSSJ-ILXRZTDVSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000351956877 369657388 /nfs/dbraw/zinc/65/73/88/369657388.db2.gz IOVYRFXKDLKSSJ-ILXRZTDVSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000351956877 369657391 /nfs/dbraw/zinc/65/73/91/369657391.db2.gz IOVYRFXKDLKSSJ-ILXRZTDVSA-N 2 1 266.429 2.360 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)NC(C)C ZINC000191498108 369718089 /nfs/dbraw/zinc/71/80/89/369718089.db2.gz TUTJZHPYPGCJSL-UHFFFAOYSA-N 2 1 294.443 2.072 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)NC(C)C ZINC000191498108 369718095 /nfs/dbraw/zinc/71/80/95/369718095.db2.gz TUTJZHPYPGCJSL-UHFFFAOYSA-N 2 1 294.443 2.072 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000352525394 369772605 /nfs/dbraw/zinc/77/26/05/369772605.db2.gz GGYGPAVMWKMMOH-QGZVFWFLSA-N 2 1 290.407 2.279 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000352525394 369772611 /nfs/dbraw/zinc/77/26/11/369772611.db2.gz GGYGPAVMWKMMOH-QGZVFWFLSA-N 2 1 290.407 2.279 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000352503326 369762082 /nfs/dbraw/zinc/76/20/82/369762082.db2.gz FDJRVMWZMXSPKS-MRXNPFEDSA-N 2 1 275.396 2.348 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000192663359 369839732 /nfs/dbraw/zinc/83/97/32/369839732.db2.gz KNDNHRHJZGOVSH-KRWDZBQOSA-N 2 1 291.439 2.491 20 0 CEADMP [NH3+]CCC[N@@H+](CC[C@H]1CCOC1)CC1CCCC1 ZINC000352535481 369776191 /nfs/dbraw/zinc/77/61/91/369776191.db2.gz RBTBWBXVHMPOLV-HNNXBMFYSA-N 2 1 254.418 2.254 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000352539825 369777669 /nfs/dbraw/zinc/77/76/69/369777669.db2.gz DCCWLZQMJTXCOB-ZDUSSCGKSA-N 2 1 262.353 2.119 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc2c1OCO2 ZINC000352539825 369777671 /nfs/dbraw/zinc/77/76/71/369777671.db2.gz DCCWLZQMJTXCOB-ZDUSSCGKSA-N 2 1 262.353 2.119 20 0 CEADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000276596676 193395167 /nfs/dbraw/zinc/39/51/67/193395167.db2.gz DVDUXVOBDBCJHQ-GFCCVEGCSA-N 2 1 286.379 2.272 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2occc21 ZINC000192851281 369862946 /nfs/dbraw/zinc/86/29/46/369862946.db2.gz BOXRVENKXKAFMD-ZBFHGGJFSA-N 2 1 292.423 2.484 20 0 CEADMP CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352743413 369863560 /nfs/dbraw/zinc/86/35/60/369863560.db2.gz UQNDYLQONVXLIW-YPMHNXCESA-N 2 1 283.441 2.109 20 0 CEADMP C[NH+](C)Cc1cnc(CN[C@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000352750390 369868328 /nfs/dbraw/zinc/86/83/28/369868328.db2.gz QNABIAUJPQWKNR-STQMWFEESA-N 2 1 296.484 2.167 20 0 CEADMP C[C@@H]([NH3+])CCC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000193322578 369925557 /nfs/dbraw/zinc/92/55/57/369925557.db2.gz HAYOXKZFRCLIRB-HUUCEWRRSA-N 2 1 291.439 2.141 20 0 CEADMP CO[C@](C)(C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000637930951 370178794 /nfs/dbraw/zinc/17/87/94/370178794.db2.gz WMNJHGSUYDMMAL-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@](C)(C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000637930951 370178798 /nfs/dbraw/zinc/17/87/98/370178798.db2.gz WMNJHGSUYDMMAL-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP Cc1cccc(NCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000353614760 370119392 /nfs/dbraw/zinc/11/93/92/370119392.db2.gz UIOKPHUXJFJBMV-XHSDSOJGSA-N 2 1 288.439 2.264 20 0 CEADMP CSC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC[NH+](C)CC1 ZINC000353612176 370119614 /nfs/dbraw/zinc/11/96/14/370119614.db2.gz QYWPVQPLNGHQJT-RRFJBIMHSA-N 3 1 299.528 2.132 20 0 CEADMP CSC1(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)CC[NH+](C)CC1 ZINC000353612176 370119619 /nfs/dbraw/zinc/11/96/19/370119619.db2.gz QYWPVQPLNGHQJT-RRFJBIMHSA-N 2 1 299.528 2.132 20 0 CEADMP CN(C)c1cccnc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353621007 370119731 /nfs/dbraw/zinc/11/97/31/370119731.db2.gz KHNGUWWBBKDFRH-SQWLQELKSA-N 2 1 288.439 2.110 20 0 CEADMP CN(C)c1cccnc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353621007 370119736 /nfs/dbraw/zinc/11/97/36/370119736.db2.gz KHNGUWWBBKDFRH-SQWLQELKSA-N 2 1 288.439 2.110 20 0 CEADMP c1ccc(C[NH+]2CCC(N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000195266127 370121608 /nfs/dbraw/zinc/12/16/08/370121608.db2.gz NJXJTEFHKKNJCH-GOSISDBHSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[NH+]2CCC(N[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000195266127 370121614 /nfs/dbraw/zinc/12/16/14/370121614.db2.gz NJXJTEFHKKNJCH-GOSISDBHSA-N 2 1 299.462 2.477 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCn1cccn1 ZINC000353975190 370159612 /nfs/dbraw/zinc/15/96/12/370159612.db2.gz UPWZSJDXKVMPBV-LSDHHAIUSA-N 2 1 264.417 2.126 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCn1cccn1 ZINC000353975190 370159616 /nfs/dbraw/zinc/15/96/16/370159616.db2.gz UPWZSJDXKVMPBV-LSDHHAIUSA-N 2 1 264.417 2.126 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000353978338 370161582 /nfs/dbraw/zinc/16/15/82/370161582.db2.gz KJHNNQIBKSOSRW-NXEZZACHSA-N 2 1 250.308 2.259 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000354183114 370248980 /nfs/dbraw/zinc/24/89/80/370248980.db2.gz XCMYOZSGRNXONE-KBPBESRZSA-N 2 1 284.444 2.286 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000354183114 370248982 /nfs/dbraw/zinc/24/89/82/370248982.db2.gz XCMYOZSGRNXONE-KBPBESRZSA-N 2 1 284.444 2.286 20 0 CEADMP C[N@@H+](CC1CCSCC1)CC1CC[NH+](C)CC1 ZINC000638028191 370252223 /nfs/dbraw/zinc/25/22/23/370252223.db2.gz ARHGTJLXWRGTBI-UHFFFAOYSA-N 2 1 256.459 2.403 20 0 CEADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CCC(C)(C)C(=O)OC ZINC000354328516 370317984 /nfs/dbraw/zinc/31/79/84/370317984.db2.gz JBGOQHKXFPSOMM-AWEZNQCLSA-N 2 1 284.444 2.430 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]CCC(C)(C)C(=O)OC ZINC000354328516 370317987 /nfs/dbraw/zinc/31/79/87/370317987.db2.gz JBGOQHKXFPSOMM-AWEZNQCLSA-N 2 1 284.444 2.430 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@@H]2CCO2)C[C@H]1C ZINC000638108716 370305847 /nfs/dbraw/zinc/30/58/47/370305847.db2.gz AHUQENZQDGYLRV-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC[C@@H]2CCO2)C[C@H]1C ZINC000638108716 370305852 /nfs/dbraw/zinc/30/58/52/370305852.db2.gz AHUQENZQDGYLRV-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC[C@@H]2CCO2)C[C@H]1C ZINC000638108716 370305855 /nfs/dbraw/zinc/30/58/55/370305855.db2.gz AHUQENZQDGYLRV-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@](C)(OC)C2CC2)[C@@H](C)C1 ZINC000638112656 370308991 /nfs/dbraw/zinc/30/89/91/370308991.db2.gz JQBQMWCHNIFPDZ-CWRNSKLLSA-N 2 1 268.445 2.464 20 0 CEADMP C[N@H+]1CCC[C@H]2CN(Cc3ccns3)CC[C@H]21 ZINC000638179212 370360244 /nfs/dbraw/zinc/36/02/44/370360244.db2.gz QGQKQBKRGMOXGE-WCQYABFASA-N 2 1 251.399 2.059 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000354502970 370389652 /nfs/dbraw/zinc/38/96/52/370389652.db2.gz NTQFWXRKGFZRPD-HNNXBMFYSA-N 2 1 296.455 2.430 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000354502970 370389656 /nfs/dbraw/zinc/38/96/56/370389656.db2.gz NTQFWXRKGFZRPD-HNNXBMFYSA-N 2 1 296.455 2.430 20 0 CEADMP CC[C@H](C)[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)CC)C1)OC ZINC000638133426 370327969 /nfs/dbraw/zinc/32/79/69/370327969.db2.gz JXFOZUVFIMPZPQ-SOUVJXGZSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@H](C)[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)CC)C1)OC ZINC000638133426 370327977 /nfs/dbraw/zinc/32/79/77/370327977.db2.gz JXFOZUVFIMPZPQ-SOUVJXGZSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@H](C)[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1)OC ZINC000638133426 370327982 /nfs/dbraw/zinc/32/79/82/370327982.db2.gz JXFOZUVFIMPZPQ-SOUVJXGZSA-N 2 1 256.434 2.321 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228206296 370401198 /nfs/dbraw/zinc/40/11/98/370401198.db2.gz LCBIZNYXPKNTHB-GJZGRUSLSA-N 2 1 262.397 2.351 20 0 CEADMP O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000228489593 370403196 /nfs/dbraw/zinc/40/31/96/370403196.db2.gz VDBVJEXFPHAHPI-HRCADAONSA-N 2 1 277.412 2.289 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000228497014 370405200 /nfs/dbraw/zinc/40/52/00/370405200.db2.gz POPAQAQHWHYJJI-CMPLNLGQSA-N 2 1 280.799 2.444 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000228497014 370405206 /nfs/dbraw/zinc/40/52/06/370405206.db2.gz POPAQAQHWHYJJI-CMPLNLGQSA-N 2 1 280.799 2.444 20 0 CEADMP Cc1ccc(CCC[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC000354579846 370419596 /nfs/dbraw/zinc/41/95/96/370419596.db2.gz UWFVHSBCQVPKMX-UHFFFAOYSA-N 2 1 259.397 2.174 20 0 CEADMP COc1ncc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000638335035 370453402 /nfs/dbraw/zinc/45/34/02/370453402.db2.gz INXBZQUMYVMPRD-SNVBAGLBSA-N 2 1 280.397 2.083 20 0 CEADMP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)sn1 ZINC000638335032 370453406 /nfs/dbraw/zinc/45/34/06/370453406.db2.gz IKNCVHRHUKNIJW-JTQLQIEISA-N 2 1 280.397 2.083 20 0 CEADMP CO[C@@](C)(C[NH2+]C[C@H](C)Cn1cc[nH+]c1C)C1CC1 ZINC000638336090 370453457 /nfs/dbraw/zinc/45/34/57/370453457.db2.gz XZLPAKFRSWFJJZ-WFASDCNBSA-N 2 1 265.401 2.232 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1cc2ccccc2n1C ZINC000638360049 370469342 /nfs/dbraw/zinc/46/93/42/370469342.db2.gz NLLAJWCTUMUVCU-UHFFFAOYSA-N 2 1 289.423 2.236 20 0 CEADMP CCOC1CC(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000638367664 370476665 /nfs/dbraw/zinc/47/66/65/370476665.db2.gz GCDSBCAEBIOYJM-PFSRBDOWSA-N 2 1 252.402 2.018 20 0 CEADMP CCOC1CC(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000638367664 370476669 /nfs/dbraw/zinc/47/66/69/370476669.db2.gz GCDSBCAEBIOYJM-PFSRBDOWSA-N 2 1 252.402 2.018 20 0 CEADMP CCOC1CC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000638378494 370485454 /nfs/dbraw/zinc/48/54/54/370485454.db2.gz XLBVQRFXHZZOFV-GQKFXUNGSA-N 2 1 252.402 2.018 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000638378498 370486168 /nfs/dbraw/zinc/48/61/68/370486168.db2.gz XLCBHQVAUACIQJ-CWRNSKLLSA-N 2 1 289.423 2.238 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638381321 370487224 /nfs/dbraw/zinc/48/72/24/370487224.db2.gz JYANBNFMUQJVOK-IRXDYDNUSA-N 2 1 287.451 2.444 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccnc(OC)c2)C1 ZINC000638451770 370540955 /nfs/dbraw/zinc/54/09/55/370540955.db2.gz QIRADCQIUOFEGA-ZBFHGGJFSA-N 2 1 291.439 2.343 20 0 CEADMP CCc1cnc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000234255511 370531932 /nfs/dbraw/zinc/53/19/32/370531932.db2.gz YCOZNHRBKNMURT-PWSUYJOCSA-N 2 1 253.415 2.313 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000234336354 370532895 /nfs/dbraw/zinc/53/28/95/370532895.db2.gz XFCJUJQUSPZOGQ-TWMKSMIVSA-N 2 1 280.456 2.486 20 0 CEADMP CCOC1CC(C[NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000638554449 370603990 /nfs/dbraw/zinc/60/39/90/370603990.db2.gz DTJPTMFUILIBPN-UHFFFAOYSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]CCCc1cnn(C)c1 ZINC000638579260 370617770 /nfs/dbraw/zinc/61/77/70/370617770.db2.gz NVDYPUVWVWPXFI-HUUCEWRRSA-N 2 1 278.444 2.205 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1CCCC ZINC000236767146 370622958 /nfs/dbraw/zinc/62/29/58/370622958.db2.gz ROAAWVMYYBKZLH-HUUCEWRRSA-N 2 1 283.460 2.275 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638566974 370608387 /nfs/dbraw/zinc/60/83/87/370608387.db2.gz UURNDODWWOLCMH-FHERZECASA-N 2 1 276.428 2.297 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236712862 370612959 /nfs/dbraw/zinc/61/29/59/370612959.db2.gz GARHXVLUTACXLW-GDBMZVCRSA-N 2 1 291.439 2.171 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(O)c2)[C@@H](C)C1 ZINC000246836270 371018102 /nfs/dbraw/zinc/01/81/02/371018102.db2.gz DECWTFHYYHGIGD-JSGCOSHPSA-N 2 1 278.396 2.221 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(O)c2)[C@@H](C)C1 ZINC000246836270 371018106 /nfs/dbraw/zinc/01/81/06/371018106.db2.gz DECWTFHYYHGIGD-JSGCOSHPSA-N 2 1 278.396 2.221 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)C12CCC2 ZINC000246831942 371018447 /nfs/dbraw/zinc/01/84/47/371018447.db2.gz JQLSRUZUTLLASP-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000358351882 371029968 /nfs/dbraw/zinc/02/99/68/371029968.db2.gz LZKQLNYRWQPFDY-DOMZBBRYSA-N 2 1 272.396 2.035 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccn1 ZINC000639170584 371042925 /nfs/dbraw/zinc/04/29/25/371042925.db2.gz VGTRNVIZURBZNO-ZBFHGGJFSA-N 2 1 291.439 2.341 20 0 CEADMP CC[C@H](C)[C@@H](C[N@H+]1CC[C@@H](c2nccn2C)C1)OC ZINC000639176671 371053443 /nfs/dbraw/zinc/05/34/43/371053443.db2.gz IYSWNVWWIKFAPS-BFHYXJOUSA-N 2 1 265.401 2.271 20 0 CEADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(C3CC3)no2)C1 ZINC000639179356 371057155 /nfs/dbraw/zinc/05/71/55/371057155.db2.gz SFTNBPZDMJVZNO-CZUORRHYSA-N 2 1 275.396 2.468 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(C3CC3)no2)C1 ZINC000639179356 371057159 /nfs/dbraw/zinc/05/71/59/371057159.db2.gz SFTNBPZDMJVZNO-CZUORRHYSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(C3CC3)no2)C1 ZINC000639179356 371057163 /nfs/dbraw/zinc/05/71/63/371057163.db2.gz SFTNBPZDMJVZNO-CZUORRHYSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(C3CC3)no2)C1 ZINC000639179356 371057167 /nfs/dbraw/zinc/05/71/67/371057167.db2.gz SFTNBPZDMJVZNO-CZUORRHYSA-N 2 1 275.396 2.468 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CCC2CCOCC2)C1 ZINC000639178319 371057991 /nfs/dbraw/zinc/05/79/91/371057991.db2.gz KDEDXADEAIYBOC-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CCC2CCOCC2)C1 ZINC000639178319 371057998 /nfs/dbraw/zinc/05/79/98/371057998.db2.gz KDEDXADEAIYBOC-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CCC2CCOCC2)C1 ZINC000639178319 371058003 /nfs/dbraw/zinc/05/80/03/371058003.db2.gz KDEDXADEAIYBOC-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)sc1C ZINC000247119481 371068247 /nfs/dbraw/zinc/06/82/47/371068247.db2.gz PPHLBPCDMOOZPX-GWCFXTLKSA-N 2 1 267.442 2.375 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(CC)c2)C1 ZINC000247228088 371078446 /nfs/dbraw/zinc/07/84/46/371078446.db2.gz YBMCQDBTXUHLHD-ZIAGYGMSSA-N 2 1 264.417 2.286 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(CC)c2)C1 ZINC000247228088 371078451 /nfs/dbraw/zinc/07/84/51/371078451.db2.gz YBMCQDBTXUHLHD-ZIAGYGMSSA-N 2 1 264.417 2.286 20 0 CEADMP Cc1noc([C@@H]2CCCN(CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000247307192 371091496 /nfs/dbraw/zinc/09/14/96/371091496.db2.gz QDLBPEVJZYYYHW-ZIAGYGMSSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1noc([C@@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000247307192 371091498 /nfs/dbraw/zinc/09/14/98/371091498.db2.gz QDLBPEVJZYYYHW-ZIAGYGMSSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1noc([C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000247307192 371091500 /nfs/dbraw/zinc/09/15/00/371091500.db2.gz QDLBPEVJZYYYHW-ZIAGYGMSSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1noc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000247307192 371091501 /nfs/dbraw/zinc/09/15/01/371091501.db2.gz QDLBPEVJZYYYHW-ZIAGYGMSSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1noc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000247307192 371091504 /nfs/dbraw/zinc/09/15/04/371091504.db2.gz QDLBPEVJZYYYHW-ZIAGYGMSSA-N 2 1 278.400 2.042 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCOC2)[C@H](C)C1 ZINC000247969901 371151592 /nfs/dbraw/zinc/15/15/92/371151592.db2.gz HFJBHWWHBZIVNU-VQHPVUNQSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@H]1C[C@H](N(CC[NH3+])c2ccc3ccccc3n2)CC[N@H+]1C ZINC000639261798 371162467 /nfs/dbraw/zinc/16/24/67/371162467.db2.gz NPMKAYFHNQNGFI-GOEBONIOSA-N 2 1 298.434 2.483 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000358720048 371191252 /nfs/dbraw/zinc/19/12/52/371191252.db2.gz KFBBJBPEXISEGX-OCCSQVGLSA-N 2 1 294.468 2.042 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000358720048 371191258 /nfs/dbraw/zinc/19/12/58/371191258.db2.gz KFBBJBPEXISEGX-OCCSQVGLSA-N 2 1 294.468 2.042 20 0 CEADMP CC[N@@H+](CCC[NH2+]C[C@]1(OC)CCOC1)C1CCCCC1 ZINC000639289601 371191260 /nfs/dbraw/zinc/19/12/60/371191260.db2.gz BWUCYZTYYPOFKX-QGZVFWFLSA-N 2 1 298.471 2.426 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248606236 371221341 /nfs/dbraw/zinc/22/13/41/371221341.db2.gz WGWHZYWRDAJPJY-MSOLQXFVSA-N 2 1 290.451 2.254 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248606236 371221345 /nfs/dbraw/zinc/22/13/45/371221345.db2.gz WGWHZYWRDAJPJY-MSOLQXFVSA-N 2 1 290.451 2.254 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248606236 371221347 /nfs/dbraw/zinc/22/13/47/371221347.db2.gz WGWHZYWRDAJPJY-MSOLQXFVSA-N 2 1 290.451 2.254 20 0 CEADMP CO[C@@]1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000249031906 371285076 /nfs/dbraw/zinc/28/50/76/371285076.db2.gz RJPFULMSWUPXFU-CVCQNSKGSA-N 2 1 266.429 2.405 20 0 CEADMP C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000249408047 371320468 /nfs/dbraw/zinc/32/04/68/371320468.db2.gz CPLGRBNUQRFFFO-RYQLBKOJSA-N 2 1 288.435 2.354 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCO[C@H]2C)[C@H](C)C1 ZINC000639535075 371390176 /nfs/dbraw/zinc/39/01/76/371390176.db2.gz ZHHHBHQNVDUHEI-QPSCCSFWSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCO[C@H]2C)[C@H](C)C1 ZINC000639535075 371390179 /nfs/dbraw/zinc/39/01/79/371390179.db2.gz ZHHHBHQNVDUHEI-QPSCCSFWSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCO[C@H]2C)[C@H](C)C1 ZINC000639535075 371390181 /nfs/dbraw/zinc/39/01/81/371390181.db2.gz ZHHHBHQNVDUHEI-QPSCCSFWSA-N 2 1 254.418 2.074 20 0 CEADMP CC(C)Oc1ccccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359297583 371417390 /nfs/dbraw/zinc/41/73/90/371417390.db2.gz DNFWZYYNHYEOFA-HUUCEWRRSA-N 2 1 260.381 2.125 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639506979 371369692 /nfs/dbraw/zinc/36/96/92/371369692.db2.gz FVXLKKANJNUUOA-CVEARBPZSA-N 2 1 280.456 2.465 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639506979 371369694 /nfs/dbraw/zinc/36/96/94/371369694.db2.gz FVXLKKANJNUUOA-CVEARBPZSA-N 2 1 280.456 2.465 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639506979 371369695 /nfs/dbraw/zinc/36/96/95/371369695.db2.gz FVXLKKANJNUUOA-CVEARBPZSA-N 2 1 280.456 2.465 20 0 CEADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H](CCO)c1ccccc1 ZINC000359227188 371383999 /nfs/dbraw/zinc/38/39/99/371383999.db2.gz VRDQEWDKCLPDTR-KRWDZBQOSA-N 2 1 276.424 2.432 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000251899235 371422574 /nfs/dbraw/zinc/42/25/74/371422574.db2.gz WQQKGOKQGAVKEV-PVAVHDDUSA-N 2 1 276.424 2.039 20 0 CEADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416928 371436205 /nfs/dbraw/zinc/43/62/05/371436205.db2.gz PEZVXYYPXVKWOP-RBSFLKMASA-N 2 1 252.402 2.020 20 0 CEADMP C[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000252547269 371454469 /nfs/dbraw/zinc/45/44/69/371454469.db2.gz LHWKUKGNNURFIJ-PVAVHDDUSA-N 2 1 274.408 2.243 20 0 CEADMP C[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000252547269 371454477 /nfs/dbraw/zinc/45/44/77/371454477.db2.gz LHWKUKGNNURFIJ-PVAVHDDUSA-N 2 1 274.408 2.243 20 0 CEADMP CSc1ccc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252667549 371465230 /nfs/dbraw/zinc/46/52/30/371465230.db2.gz LFSRDAOPVGDFIU-GJZGRUSLSA-N 2 1 292.448 2.361 20 0 CEADMP CSc1ccc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000252667549 371465233 /nfs/dbraw/zinc/46/52/33/371465233.db2.gz LFSRDAOPVGDFIU-GJZGRUSLSA-N 2 1 292.448 2.361 20 0 CEADMP c1ccc(CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1 ZINC000639682219 371491396 /nfs/dbraw/zinc/49/13/96/371491396.db2.gz NODWMZMGMBMTPR-UHFFFAOYSA-N 2 1 282.391 2.231 20 0 CEADMP CCOC1CC(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000639682865 371491925 /nfs/dbraw/zinc/49/19/25/371491925.db2.gz BRWROQLDIXFRGN-UHFFFAOYSA-N 2 1 289.423 2.409 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000253198211 371502131 /nfs/dbraw/zinc/50/21/31/371502131.db2.gz VLZPUJZZWOBAOQ-SWLSCSKDSA-N 2 1 260.381 2.038 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000360091021 371504758 /nfs/dbraw/zinc/50/47/58/371504758.db2.gz SXNRPHHLNJMVPG-UGUYLWEFSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)[C@@H]2CCOC2)C1 ZINC000360233651 371508781 /nfs/dbraw/zinc/50/87/81/371508781.db2.gz IYQGJILFBXTVLD-RBSFLKMASA-N 2 1 254.418 2.123 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000639768746 371556485 /nfs/dbraw/zinc/55/64/85/371556485.db2.gz UOPHIQBRHNCZST-IAGOWNOFSA-N 2 1 274.408 2.062 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000639768746 371556490 /nfs/dbraw/zinc/55/64/90/371556490.db2.gz UOPHIQBRHNCZST-IAGOWNOFSA-N 2 1 274.408 2.062 20 0 CEADMP Cc1ccnc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639756311 371546299 /nfs/dbraw/zinc/54/62/99/371546299.db2.gz UZKVJXPEAOUIKU-UHFFFAOYSA-N 2 1 259.397 2.308 20 0 CEADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)nc1 ZINC000639756236 371547159 /nfs/dbraw/zinc/54/71/59/371547159.db2.gz SCANWWHRJNLSJV-UHFFFAOYSA-N 2 1 275.396 2.008 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000639765085 371553444 /nfs/dbraw/zinc/55/34/44/371553444.db2.gz ZGQIBOPBXJGXOW-MRXNPFEDSA-N 2 1 296.842 2.271 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000639765085 371553452 /nfs/dbraw/zinc/55/34/52/371553452.db2.gz ZGQIBOPBXJGXOW-MRXNPFEDSA-N 2 1 296.842 2.271 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(C)C ZINC000360958972 371563014 /nfs/dbraw/zinc/56/30/14/371563014.db2.gz UMVUETOOZIVHQI-JKSUJKDBSA-N 2 1 297.487 2.249 20 0 CEADMP Cc1nc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cs1 ZINC000361003204 371593190 /nfs/dbraw/zinc/59/31/90/371593190.db2.gz NPSMGOFRCMXVCW-TZMCWYRMSA-N 2 1 297.468 2.339 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(OC)C2CC2)[C@@H](C)C1 ZINC000361006016 371594253 /nfs/dbraw/zinc/59/42/53/371594253.db2.gz ZHUKGENPWTWQRL-AEGPPILISA-N 2 1 254.418 2.121 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261615029 371680235 /nfs/dbraw/zinc/68/02/35/371680235.db2.gz FNLCXKBDDCWXPU-KRWDZBQOSA-N 2 1 290.407 2.150 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261615029 371680240 /nfs/dbraw/zinc/68/02/40/371680240.db2.gz FNLCXKBDDCWXPU-KRWDZBQOSA-N 2 1 290.407 2.150 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000261559512 371647749 /nfs/dbraw/zinc/64/77/49/371647749.db2.gz UDEBSPJYWSDRGL-WFASDCNBSA-N 2 1 255.365 2.404 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261815057 371739668 /nfs/dbraw/zinc/73/96/68/371739668.db2.gz HXUGNZSRMOODTD-SWLSCSKDSA-N 2 1 299.422 2.053 20 0 CEADMP Nc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000261748599 371719717 /nfs/dbraw/zinc/71/97/17/371719717.db2.gz WBAOQZDCOKXWFV-HNNXBMFYSA-N 2 1 259.397 2.187 20 0 CEADMP C[C@@H]1C[C@H](NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC[NH+]1C ZINC000361215771 371720299 /nfs/dbraw/zinc/72/02/99/371720299.db2.gz KKRNWZWYGAVVRM-QKPAOTATSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361215771 371720304 /nfs/dbraw/zinc/72/03/04/371720304.db2.gz KKRNWZWYGAVVRM-QKPAOTATSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361215771 371720307 /nfs/dbraw/zinc/72/03/07/371720307.db2.gz KKRNWZWYGAVVRM-QKPAOTATSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261754380 371722366 /nfs/dbraw/zinc/72/23/66/371722366.db2.gz NFPVNLQXWFPROI-XJKSGUPXSA-N 2 1 293.842 2.381 20 0 CEADMP c1ncc(CN2CCC[N@H+](Cc3ccccc3)CC2)[nH]1 ZINC000361222376 371723948 /nfs/dbraw/zinc/72/39/48/371723948.db2.gz YYCVIYTYKWBEQW-UHFFFAOYSA-N 2 1 270.380 2.118 20 0 CEADMP c1ncc(CN2CCC[N@@H+](Cc3ccccc3)CC2)[nH]1 ZINC000361222376 371723959 /nfs/dbraw/zinc/72/39/59/371723959.db2.gz YYCVIYTYKWBEQW-UHFFFAOYSA-N 2 1 270.380 2.118 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@](C)(C[NH3+])C2)o1 ZINC000261769507 371725558 /nfs/dbraw/zinc/72/55/58/371725558.db2.gz SCGRACRBYOGGAW-HNNXBMFYSA-N 2 1 274.368 2.149 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@](C)(C[NH3+])C2)o1 ZINC000261769507 371725565 /nfs/dbraw/zinc/72/55/65/371725565.db2.gz SCGRACRBYOGGAW-HNNXBMFYSA-N 2 1 274.368 2.149 20 0 CEADMP CC(C)c1[nH+]ccn1CCc1nc(C2([NH3+])CCCC2)no1 ZINC000261768933 371725599 /nfs/dbraw/zinc/72/55/99/371725599.db2.gz NBCJRPNJJQJGPN-UHFFFAOYSA-N 2 1 289.383 2.360 20 0 CEADMP Cc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])c(-c2ccnn2C)c1 ZINC000261774109 371728835 /nfs/dbraw/zinc/72/88/35/371728835.db2.gz DYZGOGSZEBJOMM-ZDUSSCGKSA-N 2 1 272.396 2.175 20 0 CEADMP Cc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])c(-c2ccnn2C)c1 ZINC000261774109 371728839 /nfs/dbraw/zinc/72/88/39/371728839.db2.gz DYZGOGSZEBJOMM-ZDUSSCGKSA-N 2 1 272.396 2.175 20 0 CEADMP Nc1cccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000261646351 371690095 /nfs/dbraw/zinc/69/00/95/371690095.db2.gz HCGGWODOXVISCV-ZDUSSCGKSA-N 2 1 256.353 2.372 20 0 CEADMP Fc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000261657205 371694145 /nfs/dbraw/zinc/69/41/45/371694145.db2.gz KFXVZHBKNOALJL-TZMCWYRMSA-N 2 1 285.366 2.415 20 0 CEADMP Fc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000261657205 371694151 /nfs/dbraw/zinc/69/41/51/371694151.db2.gz KFXVZHBKNOALJL-TZMCWYRMSA-N 2 1 285.366 2.415 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000261835886 371748509 /nfs/dbraw/zinc/74/85/09/371748509.db2.gz ZHMQDYOETKCZSK-INIZCTEOSA-N 2 1 288.370 2.182 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000261835886 371748514 /nfs/dbraw/zinc/74/85/14/371748514.db2.gz ZHMQDYOETKCZSK-INIZCTEOSA-N 2 1 288.370 2.182 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCO[C@H]2CCCCO2)C1 ZINC000361267077 371750805 /nfs/dbraw/zinc/75/08/05/371750805.db2.gz QHQMIRUXXFMOFK-CVEARBPZSA-N 2 1 284.444 2.193 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCO[C@H]2CCCCO2)C1 ZINC000361267077 371750808 /nfs/dbraw/zinc/75/08/08/371750808.db2.gz QHQMIRUXXFMOFK-CVEARBPZSA-N 2 1 284.444 2.193 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCO[C@H]2CCCCO2)C1 ZINC000361267077 371750811 /nfs/dbraw/zinc/75/08/11/371750811.db2.gz QHQMIRUXXFMOFK-CVEARBPZSA-N 2 1 284.444 2.193 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000261869451 371755389 /nfs/dbraw/zinc/75/53/89/371755389.db2.gz OPMVGPPAOYKUKA-KRWDZBQOSA-N 2 1 274.408 2.095 20 0 CEADMP COc1ccc(OCC[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261875356 371758515 /nfs/dbraw/zinc/75/85/15/371758515.db2.gz PWVFPCOMCYIRAL-INIZCTEOSA-N 2 1 278.396 2.005 20 0 CEADMP C[N@H+](Cc1ccc(F)c(F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261884161 371760680 /nfs/dbraw/zinc/76/06/80/371760680.db2.gz ROXGHHWKFPHTKH-AWEZNQCLSA-N 2 1 254.324 2.396 20 0 CEADMP C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261884161 371760683 /nfs/dbraw/zinc/76/06/83/371760683.db2.gz ROXGHHWKFPHTKH-AWEZNQCLSA-N 2 1 254.324 2.396 20 0 CEADMP C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261900381 371766562 /nfs/dbraw/zinc/76/65/62/371766562.db2.gz VWXJCEGRFPIYLP-XJKSGUPXSA-N 2 1 262.397 2.255 20 0 CEADMP COc1cccc2c1CC[N@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000261917350 371771250 /nfs/dbraw/zinc/77/12/50/371771250.db2.gz ZQWYZLXGXZIESB-MRXNPFEDSA-N 2 1 260.381 2.053 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000261917350 371771252 /nfs/dbraw/zinc/77/12/52/371771252.db2.gz ZQWYZLXGXZIESB-MRXNPFEDSA-N 2 1 260.381 2.053 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261924156 371773401 /nfs/dbraw/zinc/77/34/01/371773401.db2.gz KWNDETZIJRLMDJ-TZMCWYRMSA-N 2 1 264.417 2.332 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261924156 371773405 /nfs/dbraw/zinc/77/34/05/371773405.db2.gz KWNDETZIJRLMDJ-TZMCWYRMSA-N 2 1 264.417 2.332 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)CC[C@H]1[NH3+] ZINC000261953985 371783676 /nfs/dbraw/zinc/78/36/76/371783676.db2.gz OIDYBJKHAPEFKZ-SMDDNHRTSA-N 2 1 290.436 2.318 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)CC[C@@H]1[NH3+] ZINC000261953983 371784563 /nfs/dbraw/zinc/78/45/63/371784563.db2.gz OIDYBJKHAPEFKZ-RISCZKNCSA-N 2 1 290.436 2.318 20 0 CEADMP Cc1ccccc1N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261974160 371788152 /nfs/dbraw/zinc/78/81/52/371788152.db2.gz IOHSKLBAEAQQBQ-QGZVFWFLSA-N 2 1 273.424 2.117 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262020284 371801090 /nfs/dbraw/zinc/80/10/90/371801090.db2.gz WBRCUSBCIUGMIN-KGLIPLIRSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262020284 371801098 /nfs/dbraw/zinc/80/10/98/371801098.db2.gz WBRCUSBCIUGMIN-KGLIPLIRSA-N 2 1 270.380 2.041 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000262041838 371807601 /nfs/dbraw/zinc/80/76/01/371807601.db2.gz YKLXCAWDAYOIGS-OAHLLOKOSA-N 2 1 290.455 2.358 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000262041838 371807609 /nfs/dbraw/zinc/80/76/09/371807609.db2.gz YKLXCAWDAYOIGS-OAHLLOKOSA-N 2 1 290.455 2.358 20 0 CEADMP c1csc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000262044519 371811432 /nfs/dbraw/zinc/81/14/32/371811432.db2.gz PNQKPBJSKBZPBE-HNNXBMFYSA-N 2 1 288.420 2.324 20 0 CEADMP c1csc(-c2n[nH]cc2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000262044519 371811437 /nfs/dbraw/zinc/81/14/37/371811437.db2.gz PNQKPBJSKBZPBE-HNNXBMFYSA-N 2 1 288.420 2.324 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000262915885 371922609 /nfs/dbraw/zinc/92/26/09/371922609.db2.gz GGPBQWUPDZVFCP-AIANPOQGSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000263184163 371931075 /nfs/dbraw/zinc/93/10/75/371931075.db2.gz HCNDOSQKFBQADF-KMFMINBZSA-N 2 1 293.455 2.027 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361612197 371976405 /nfs/dbraw/zinc/97/64/05/371976405.db2.gz UBJRTPUUWIXOQR-DOTOQJQBSA-N 2 1 296.455 2.131 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361612197 371976409 /nfs/dbraw/zinc/97/64/09/371976409.db2.gz UBJRTPUUWIXOQR-DOTOQJQBSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361612197 371976419 /nfs/dbraw/zinc/97/64/19/371976419.db2.gz UBJRTPUUWIXOQR-DOTOQJQBSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361612197 371976425 /nfs/dbraw/zinc/97/64/25/371976425.db2.gz UBJRTPUUWIXOQR-DOTOQJQBSA-N 2 1 296.455 2.131 20 0 CEADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CCC(F)(F)F ZINC000344146347 217074066 /nfs/dbraw/zinc/07/40/66/217074066.db2.gz PUDDESSRSKASMN-UHFFFAOYSA-N 2 1 295.393 2.288 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccnc2)[C@H](C)C1 ZINC000361866890 372105567 /nfs/dbraw/zinc/10/55/67/372105567.db2.gz CRNCFHVIIUKCFK-ZBFHGGJFSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cccnc2)[C@H](C)C1 ZINC000361866890 372105573 /nfs/dbraw/zinc/10/55/73/372105573.db2.gz CRNCFHVIIUKCFK-ZBFHGGJFSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cccnc2)[C@H](C)C1 ZINC000361866890 372105578 /nfs/dbraw/zinc/10/55/78/372105578.db2.gz CRNCFHVIIUKCFK-ZBFHGGJFSA-N 2 1 261.413 2.286 20 0 CEADMP COC1CCC(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000361925440 372132970 /nfs/dbraw/zinc/13/29/70/372132970.db2.gz ORCUDGAVVLCOBS-LQULJDIASA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2c(c1)COC2 ZINC000268722882 372194379 /nfs/dbraw/zinc/19/43/79/372194379.db2.gz JMVNZFBQIBIDBC-GFCCVEGCSA-N 2 1 260.381 2.462 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+](C)C ZINC000268729231 372197399 /nfs/dbraw/zinc/19/73/99/372197399.db2.gz SGBRMVQBKRFYSW-SJLPKXTDSA-N 2 1 289.467 2.438 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCc2ccn(-c3ccccc3)n2)CC[N@H+]1C ZINC000268864387 372260821 /nfs/dbraw/zinc/26/08/21/372260821.db2.gz SGOBMKCHDHZHDI-RDJZCZTQSA-N 2 1 298.434 2.487 20 0 CEADMP CC[NH+]1CCC([NH2+]C[C@@](C)(O)c2cc(C)oc2C)CC1 ZINC000268916146 372285580 /nfs/dbraw/zinc/28/55/80/372285580.db2.gz SKOLKPQPGICEIB-MRXNPFEDSA-N 2 1 280.412 2.178 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000641168746 372362209 /nfs/dbraw/zinc/36/22/09/372362209.db2.gz IQYCWZLIVJRVMI-GJZGRUSLSA-N 2 1 291.443 2.008 20 0 CEADMP Cc1cc(C)c(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)c(C)[nH+]1 ZINC000641187905 372379288 /nfs/dbraw/zinc/37/92/88/372379288.db2.gz XWXQXODKNGZLAZ-CQSZACIVSA-N 2 1 285.395 2.114 20 0 CEADMP CC[C@@H]1C[N@H+](CCNc2cc[nH+]c3ccc(C)cc23)CCO1 ZINC000362667736 372479446 /nfs/dbraw/zinc/47/94/46/372479446.db2.gz HEHNVJOZNXUHEI-OAHLLOKOSA-N 2 1 299.418 2.488 20 0 CEADMP CC[C@@H]1C[N@@H+](CCNc2cc[nH+]c3ccc(C)cc23)CCO1 ZINC000362667736 372479455 /nfs/dbraw/zinc/47/94/55/372479455.db2.gz HEHNVJOZNXUHEI-OAHLLOKOSA-N 2 1 299.418 2.488 20 0 CEADMP CC[N@@H+](CC(=O)N(CC[NH+](C)C)c1ccccc1)C1CC1 ZINC000269701986 372539853 /nfs/dbraw/zinc/53/98/53/372539853.db2.gz RDKJTAHQMACWOZ-UHFFFAOYSA-N 2 1 289.423 2.066 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000362746973 372511459 /nfs/dbraw/zinc/51/14/59/372511459.db2.gz XASBFTOXLJCMCV-RISCZKNCSA-N 2 1 284.363 2.213 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641710554 372645619 /nfs/dbraw/zinc/64/56/19/372645619.db2.gz XRCWZIGQEDKDJU-ZDUSSCGKSA-N 2 1 288.395 2.090 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)C1CC1 ZINC000641759941 372697453 /nfs/dbraw/zinc/69/74/53/372697453.db2.gz KIPXBTGVMVUBCN-UHFFFAOYSA-N 2 1 288.395 2.233 20 0 CEADMP C[C@H]([NH2+]Cc1ccncc1N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000641747563 372680864 /nfs/dbraw/zinc/68/08/64/372680864.db2.gz LGUJASZUXHFCDL-DZGCQCFKSA-N 2 1 288.439 2.406 20 0 CEADMP C[C@H]([NH2+]Cc1ccncc1N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000641747563 372680869 /nfs/dbraw/zinc/68/08/69/372680869.db2.gz LGUJASZUXHFCDL-DZGCQCFKSA-N 2 1 288.439 2.406 20 0 CEADMP Cc1ccc2[nH]c(NCc3c[nH+]ccc3N(C)C)[nH+]c2c1 ZINC000641795138 372733917 /nfs/dbraw/zinc/73/39/17/372733917.db2.gz UHWQVPDXIFGPPX-UHFFFAOYSA-N 2 1 281.363 2.366 20 0 CEADMP CCc1noc(C2CCC([NH2+][C@H]3C[NH2+]CC[C@@H]3C)CC2)n1 ZINC000333103118 205031440 /nfs/dbraw/zinc/03/14/40/205031440.db2.gz FCVMTSAXZHTXIS-ABXWRUBCSA-N 2 1 292.427 2.246 20 0 CEADMP Cc1sc(NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c(C)c1C ZINC000641801918 372744076 /nfs/dbraw/zinc/74/40/76/372744076.db2.gz GWNAMIOQJNMSKZ-NWDGAFQWSA-N 2 1 295.452 2.327 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641808170 372754504 /nfs/dbraw/zinc/75/45/04/372754504.db2.gz XJFOWDWAYZRDSP-FPMFFAJLSA-N 2 1 275.396 2.037 20 0 CEADMP CSc1ccc(NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641807861 372754925 /nfs/dbraw/zinc/75/49/25/372754925.db2.gz SJFSPYAUASLYES-QWHCGFSZSA-N 2 1 293.436 2.062 20 0 CEADMP CCCCN(CCCC)C(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641809323 372757179 /nfs/dbraw/zinc/75/71/79/372757179.db2.gz WCXSFULIVNTUSD-KBPBESRZSA-N 2 1 283.460 2.131 20 0 CEADMP CCc1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)o1 ZINC000641797412 372738071 /nfs/dbraw/zinc/73/80/71/372738071.db2.gz BQUJOPYFKCTUNL-NEPJUHHUSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)o1 ZINC000641797412 372738076 /nfs/dbraw/zinc/73/80/76/372738076.db2.gz BQUJOPYFKCTUNL-NEPJUHHUSA-N 2 1 251.374 2.105 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351229192 284346922 /nfs/dbraw/zinc/34/69/22/284346922.db2.gz QVHAGIKKRHDBFS-HOTGVXAUSA-N 2 1 267.461 2.134 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351229192 284346927 /nfs/dbraw/zinc/34/69/27/284346927.db2.gz QVHAGIKKRHDBFS-HOTGVXAUSA-N 2 1 267.461 2.134 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351229192 284346930 /nfs/dbraw/zinc/34/69/30/284346930.db2.gz QVHAGIKKRHDBFS-HOTGVXAUSA-N 2 1 267.461 2.134 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000344628835 217254677 /nfs/dbraw/zinc/25/46/77/217254677.db2.gz AXOXSFRVTCWVOV-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344628835 217254680 /nfs/dbraw/zinc/25/46/80/217254680.db2.gz AXOXSFRVTCWVOV-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344628835 217254682 /nfs/dbraw/zinc/25/46/82/217254682.db2.gz AXOXSFRVTCWVOV-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000353486363 220110892 /nfs/dbraw/zinc/11/08/92/220110892.db2.gz XQRDWWSRJXNCFM-ZNMIVQPWSA-N 2 1 255.450 2.179 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353486363 220110894 /nfs/dbraw/zinc/11/08/94/220110894.db2.gz XQRDWWSRJXNCFM-ZNMIVQPWSA-N 2 1 255.450 2.179 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353486363 220110897 /nfs/dbraw/zinc/11/08/97/220110897.db2.gz XQRDWWSRJXNCFM-ZNMIVQPWSA-N 2 1 255.450 2.179 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000270700784 372908686 /nfs/dbraw/zinc/90/86/86/372908686.db2.gz XVGJSDLPZYQIFW-AWEZNQCLSA-N 2 1 273.384 2.184 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000270700784 372908692 /nfs/dbraw/zinc/90/86/92/372908692.db2.gz XVGJSDLPZYQIFW-AWEZNQCLSA-N 2 1 273.384 2.184 20 0 CEADMP CC(C)[NH+](CCCN[C@@H]1C[N@@H+](C)C[C@H]1C)C(C)C ZINC000344713103 217285543 /nfs/dbraw/zinc/28/55/43/217285543.db2.gz PTXRLIXAEXAYSC-HUUCEWRRSA-N 2 1 255.450 2.035 20 0 CEADMP CC1(C)C[N@@H+](CC[C@H]2CCC[NH2+]C2)C(C)(C)CO1 ZINC000643057897 372938424 /nfs/dbraw/zinc/93/84/24/372938424.db2.gz XSKXCUXUYFXRIF-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@@H+](CCO)CC(C)(C)C)cc1 ZINC000643057871 372938434 /nfs/dbraw/zinc/93/84/34/372938434.db2.gz PMUOJWBLDYSTKJ-OAHLLOKOSA-N 2 1 294.439 2.078 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000366160677 372995094 /nfs/dbraw/zinc/99/50/94/372995094.db2.gz AGQKDTNJLCTOOQ-BDXSIMOUSA-N 2 1 291.483 2.277 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000366160677 372995102 /nfs/dbraw/zinc/99/51/02/372995102.db2.gz AGQKDTNJLCTOOQ-BDXSIMOUSA-N 2 1 291.483 2.277 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000366160677 372995116 /nfs/dbraw/zinc/99/51/16/372995116.db2.gz AGQKDTNJLCTOOQ-BDXSIMOUSA-N 2 1 291.483 2.277 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000270861335 372985934 /nfs/dbraw/zinc/98/59/34/372985934.db2.gz JWZPWYJUMCFYCX-CABCVRRESA-N 2 1 289.379 2.373 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000270861335 372985938 /nfs/dbraw/zinc/98/59/38/372985938.db2.gz JWZPWYJUMCFYCX-CABCVRRESA-N 2 1 289.379 2.373 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000270861344 372986623 /nfs/dbraw/zinc/98/66/23/372986623.db2.gz JWZPWYJUMCFYCX-LSDHHAIUSA-N 2 1 289.379 2.373 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000270861344 372986628 /nfs/dbraw/zinc/98/66/28/372986628.db2.gz JWZPWYJUMCFYCX-LSDHHAIUSA-N 2 1 289.379 2.373 20 0 CEADMP COCC1(C[N@@H+](C)C[C@@H]2CCn3ccnc3C2)CCC1 ZINC000643378768 373101736 /nfs/dbraw/zinc/10/17/36/373101736.db2.gz KRZMTHOVNRJXEP-CQSZACIVSA-N 2 1 277.412 2.194 20 0 CEADMP COCC1(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000643378768 373101749 /nfs/dbraw/zinc/10/17/49/373101749.db2.gz KRZMTHOVNRJXEP-CQSZACIVSA-N 2 1 277.412 2.194 20 0 CEADMP COCC1(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000643378768 373101757 /nfs/dbraw/zinc/10/17/57/373101757.db2.gz KRZMTHOVNRJXEP-CQSZACIVSA-N 2 1 277.412 2.194 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000344823223 217322276 /nfs/dbraw/zinc/32/22/76/217322276.db2.gz IHLAFOCTNIJDCG-HNNXBMFYSA-N 2 1 276.428 2.243 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000344823223 217322278 /nfs/dbraw/zinc/32/22/78/217322278.db2.gz IHLAFOCTNIJDCG-HNNXBMFYSA-N 2 1 276.428 2.243 20 0 CEADMP CCC1(CC)[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C[C@@H]1OC ZINC000643501761 373159433 /nfs/dbraw/zinc/15/94/33/373159433.db2.gz PIOVZDLRCOUCQI-MCIONIFRSA-N 2 1 254.418 2.312 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1(C)C ZINC000643502963 373162315 /nfs/dbraw/zinc/16/23/15/373162315.db2.gz WFQSREYFQNXMFZ-BFHYXJOUSA-N 2 1 254.418 2.310 20 0 CEADMP O=C1Nc2ccccc2C12CCC([NH2+]CC[NH2+]C1CC1)CC2 ZINC000643506109 373163560 /nfs/dbraw/zinc/16/35/60/373163560.db2.gz KRUUOYDVHZBPKN-UHFFFAOYSA-N 2 1 299.418 2.161 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](CC)OC)[C@H](C)C1 ZINC000353559915 220158419 /nfs/dbraw/zinc/15/84/19/220158419.db2.gz MKSLPPRIWTVEQB-PMPSAXMXSA-N 2 1 286.460 2.138 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nn(C)c2ccccc12 ZINC000643481070 373148639 /nfs/dbraw/zinc/14/86/39/373148639.db2.gz LBTSKEVXINIFOM-JSGCOSHPSA-N 2 1 272.396 2.051 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](CCOc3ccc(F)cc3)C2)C1 ZINC000367851914 373198132 /nfs/dbraw/zinc/19/81/32/373198132.db2.gz XWOQYJWIPZGPMC-INIZCTEOSA-N 2 1 278.371 2.232 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CCOc3ccc(F)cc3)C2)C1 ZINC000367851914 373198143 /nfs/dbraw/zinc/19/81/43/373198143.db2.gz XWOQYJWIPZGPMC-INIZCTEOSA-N 2 1 278.371 2.232 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CCOc3ccc(F)cc3)C2)C1 ZINC000367851914 373198146 /nfs/dbraw/zinc/19/81/46/373198146.db2.gz XWOQYJWIPZGPMC-INIZCTEOSA-N 2 1 278.371 2.232 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](CCOc3ccc(F)cc3)C2)C1 ZINC000367851914 373198154 /nfs/dbraw/zinc/19/81/54/373198154.db2.gz XWOQYJWIPZGPMC-INIZCTEOSA-N 2 1 278.371 2.232 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cn[nH]c1 ZINC000643544957 373203564 /nfs/dbraw/zinc/20/35/64/373203564.db2.gz YJRBIZFNASVICE-HSXSFXKRSA-N 2 1 274.412 2.214 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546743 373203914 /nfs/dbraw/zinc/20/39/14/373203914.db2.gz UHQFIPKLIYJLIS-WCQYABFASA-N 2 1 262.401 2.054 20 0 CEADMP COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCCn1cc[nH+]c1C ZINC000272061158 373287230 /nfs/dbraw/zinc/28/72/30/373287230.db2.gz SAKDGZWGRGODOE-GDBMZVCRSA-N 2 1 293.411 2.293 20 0 CEADMP CC(C)[NH2+]CCN1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000369093383 373333631 /nfs/dbraw/zinc/33/36/31/373333631.db2.gz DNOZXSFPQRSWIY-OAHLLOKOSA-N 2 1 278.444 2.469 20 0 CEADMP CCc1nn(C)c(Cl)c1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369376942 373400255 /nfs/dbraw/zinc/40/02/55/373400255.db2.gz BSUYQEYNAMDCPX-RYUDHWBXSA-N 2 1 296.846 2.352 20 0 CEADMP Cn1cncc1C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000369542042 373449449 /nfs/dbraw/zinc/44/94/49/373449449.db2.gz XSWUGJHROJMWJS-DOMZBBRYSA-N 2 1 290.436 2.264 20 0 CEADMP Cn1cncc1C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369542042 373449453 /nfs/dbraw/zinc/44/94/53/373449453.db2.gz XSWUGJHROJMWJS-DOMZBBRYSA-N 2 1 290.436 2.264 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000644524173 373511464 /nfs/dbraw/zinc/51/14/64/373511464.db2.gz XJSKCCHXMCJNBF-VDHUWJSZSA-N 2 1 288.435 2.367 20 0 CEADMP CC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000644532816 373515504 /nfs/dbraw/zinc/51/55/04/373515504.db2.gz QLKVDJHUWMEGMB-UONOGXRCSA-N 2 1 282.453 2.321 20 0 CEADMP CC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000644532816 373515509 /nfs/dbraw/zinc/51/55/09/373515509.db2.gz QLKVDJHUWMEGMB-UONOGXRCSA-N 2 1 282.453 2.321 20 0 CEADMP CC(C)O[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000644659425 373588571 /nfs/dbraw/zinc/58/85/71/373588571.db2.gz MJTIUPTYXLCVBU-IXDOHACOSA-N 2 1 274.408 2.304 20 0 CEADMP C[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000644573757 373539199 /nfs/dbraw/zinc/53/91/99/373539199.db2.gz DVTDIOROJDVDKX-CQSZACIVSA-N 2 1 288.391 2.382 20 0 CEADMP CC(C)=CC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644631267 373571981 /nfs/dbraw/zinc/57/19/81/373571981.db2.gz WWJCOODLUBSFGN-INIZCTEOSA-N 2 1 262.397 2.035 20 0 CEADMP CC(C)=CC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644631267 373571988 /nfs/dbraw/zinc/57/19/88/373571988.db2.gz WWJCOODLUBSFGN-INIZCTEOSA-N 2 1 262.397 2.035 20 0 CEADMP CCc1cc(N2CC[C@@H](C[N@@H+](C)CC)C2)nc(C)[nH+]1 ZINC000272854129 373681548 /nfs/dbraw/zinc/68/15/48/373681548.db2.gz KTECYICHHUHJMD-ZDUSSCGKSA-N 2 1 262.401 2.125 20 0 CEADMP CCc1cc(N2CC[C@@H](C[N@H+](C)CC)C2)nc(C)[nH+]1 ZINC000272854129 373681557 /nfs/dbraw/zinc/68/15/57/373681557.db2.gz KTECYICHHUHJMD-ZDUSSCGKSA-N 2 1 262.401 2.125 20 0 CEADMP C1=CO[C@H](C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000370692930 373718837 /nfs/dbraw/zinc/71/88/37/373718837.db2.gz WCEOUEONDAMZIE-QKPAOTATSA-N 2 1 262.397 2.095 20 0 CEADMP C1=CO[C@H](C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000370692930 373718842 /nfs/dbraw/zinc/71/88/42/373718842.db2.gz WCEOUEONDAMZIE-QKPAOTATSA-N 2 1 262.397 2.095 20 0 CEADMP C1=CO[C@H](C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000370692930 373718849 /nfs/dbraw/zinc/71/88/49/373718849.db2.gz WCEOUEONDAMZIE-QKPAOTATSA-N 2 1 262.397 2.095 20 0 CEADMP CC(C)Cn1cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC000370642273 373705028 /nfs/dbraw/zinc/70/50/28/373705028.db2.gz LOKMGYFDKWGNSR-AWEZNQCLSA-N 2 1 287.411 2.088 20 0 CEADMP c1cc2c(cc1C[N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCCC2 ZINC000644833389 373725652 /nfs/dbraw/zinc/72/56/52/373725652.db2.gz DAZAXXJWSOLXAN-CALCHBBNSA-N 2 1 256.393 2.217 20 0 CEADMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000371210952 373815111 /nfs/dbraw/zinc/81/51/11/373815111.db2.gz VYYYIAIIPLRITB-BRWVUGGUSA-N 2 1 298.471 2.282 20 0 CEADMP C[NH+](C)[C@H](CNC(=O)CCCC[NH3+])c1ccccc1Cl ZINC000645157837 373884875 /nfs/dbraw/zinc/88/48/75/373884875.db2.gz CRKBBHHBBHEEKP-CQSZACIVSA-N 2 1 297.830 2.188 20 0 CEADMP CCn1nc(C[NH2+]CC2=CC[N@@H+](C)CC2)c2ccccc21 ZINC000274396428 373906586 /nfs/dbraw/zinc/90/65/86/373906586.db2.gz DRAOQNKMEVJYPL-UHFFFAOYSA-N 2 1 284.407 2.408 20 0 CEADMP c1c[nH]c([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000372498907 374143513 /nfs/dbraw/zinc/14/35/13/374143513.db2.gz YUWGDDMEBDDWPS-OAHLLOKOSA-N 2 1 276.428 2.465 20 0 CEADMP c1c[nH]c([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000372498907 374143523 /nfs/dbraw/zinc/14/35/23/374143523.db2.gz YUWGDDMEBDDWPS-OAHLLOKOSA-N 2 1 276.428 2.465 20 0 CEADMP Cc1cccc(CC[N@H+](C)C[C@H]2CCC[NH+](C)C2)n1 ZINC000645807892 374197563 /nfs/dbraw/zinc/19/75/63/374197563.db2.gz RUEKELNRKVXWMQ-HNNXBMFYSA-N 2 1 261.413 2.206 20 0 CEADMP Cc1cccc(CC[NH+](C)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000645807892 374197569 /nfs/dbraw/zinc/19/75/69/374197569.db2.gz RUEKELNRKVXWMQ-HNNXBMFYSA-N 2 1 261.413 2.206 20 0 CEADMP Cc1cccc(CC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000645807892 374197570 /nfs/dbraw/zinc/19/75/70/374197570.db2.gz RUEKELNRKVXWMQ-HNNXBMFYSA-N 2 1 261.413 2.206 20 0 CEADMP CC[NH+](CC)CCCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000372810024 374203340 /nfs/dbraw/zinc/20/33/40/374203340.db2.gz MJSOECXKBYMOIR-IXDOHACOSA-N 3 1 279.472 2.134 20 0 CEADMP O[C@@H](C[NH+]1CCC[C@@H]1C1CC1)C[N@H+]1CCC[C@H]1C1CC1 ZINC000373144165 374276789 /nfs/dbraw/zinc/27/67/89/374276789.db2.gz BAJOERVPAADFIT-BJWYYQGGSA-N 2 1 278.440 2.096 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000373232230 374301375 /nfs/dbraw/zinc/30/13/75/374301375.db2.gz ZUCMMQJDAFQDOF-RBSFLKMASA-N 2 1 277.412 2.375 20 0 CEADMP CC[N@H+]1CC[C@H](NC2CC([NH+]3CCCCC3)C2)[C@H](C)C1 ZINC000373465762 374359299 /nfs/dbraw/zinc/35/92/99/374359299.db2.gz MGHYLLNCPOMEQB-VXLLPVPCSA-N 2 1 279.472 2.323 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373563349 374380331 /nfs/dbraw/zinc/38/03/31/374380331.db2.gz UJRRNQIBMLELOV-YDHLFZDLSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373563349 374380342 /nfs/dbraw/zinc/38/03/42/374380342.db2.gz UJRRNQIBMLELOV-YDHLFZDLSA-N 2 1 274.412 2.014 20 0 CEADMP Cc1nccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000373606593 374390500 /nfs/dbraw/zinc/39/05/00/374390500.db2.gz DUBJJCFGXVQRPD-PBHICJAKSA-N 2 1 286.423 2.234 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)O)cc1F ZINC000373853488 374432920 /nfs/dbraw/zinc/43/29/20/374432920.db2.gz FVWFERLQWDKYKE-MNOVXSKESA-N 2 1 277.343 2.351 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)o1 ZINC000374324436 374542027 /nfs/dbraw/zinc/54/20/27/374542027.db2.gz MDXNIMZJLNRGOS-UHFFFAOYSA-N 2 1 292.379 2.126 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)o1 ZINC000374324436 374542033 /nfs/dbraw/zinc/54/20/33/374542033.db2.gz MDXNIMZJLNRGOS-UHFFFAOYSA-N 2 1 292.379 2.126 20 0 CEADMP COC(=O)[C@]12C[N@@H+](CC[C@@H]3CCC[NH+]3C)C[C@H]1CCCC2 ZINC000375298924 374650704 /nfs/dbraw/zinc/65/07/04/374650704.db2.gz ZGTDBDPSFBVONN-HLLBOEOZSA-N 2 1 294.439 2.136 20 0 CEADMP CC1(C[NH2+][C@H]2CC[N@@H+](C3CCCCCC3)C2)COC1 ZINC000375624483 374666456 /nfs/dbraw/zinc/66/64/56/374666456.db2.gz OVJIFLAZGGOUBZ-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP CC1(C[NH2+][C@H]2CC[N@H+](C3CCCCCC3)C2)COC1 ZINC000375624483 374666462 /nfs/dbraw/zinc/66/64/62/374666462.db2.gz OVJIFLAZGGOUBZ-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP CO[C@@H](C)C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000376867735 374747993 /nfs/dbraw/zinc/74/79/93/374747993.db2.gz BSSVABFANNZETL-ZDUSSCGKSA-N 2 1 263.385 2.301 20 0 CEADMP COC(=O)c1coc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000278153880 374734103 /nfs/dbraw/zinc/73/41/03/374734103.db2.gz ANDGUYDJEROTME-LLVKDONJSA-N 2 1 291.351 2.312 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000278412752 374809225 /nfs/dbraw/zinc/80/92/25/374809225.db2.gz PKLVKEFSPZVGTE-LBPRGKRZSA-N 2 1 263.360 2.103 20 0 CEADMP CCSCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000377386853 374844944 /nfs/dbraw/zinc/84/49/44/374844944.db2.gz RKGNIRLSUFXOEW-SOUVJXGZSA-N 2 1 286.485 2.219 20 0 CEADMP C[N@@H+](C[C@H]1CCC=CO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377635050 374906939 /nfs/dbraw/zinc/90/69/39/374906939.db2.gz ZPEHUPIKHPDGLM-IZGVIRRGSA-N 2 1 250.386 2.236 20 0 CEADMP C[NH+](C[C@H]1CCC=CO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377635050 374906943 /nfs/dbraw/zinc/90/69/43/374906943.db2.gz ZPEHUPIKHPDGLM-IZGVIRRGSA-N 2 1 250.386 2.236 20 0 CEADMP C[NH+](C[C@H]1CCC=CO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377635050 374906947 /nfs/dbraw/zinc/90/69/47/374906947.db2.gz ZPEHUPIKHPDGLM-IZGVIRRGSA-N 2 1 250.386 2.236 20 0 CEADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000378207203 375042321 /nfs/dbraw/zinc/04/23/21/375042321.db2.gz CAFZURGSKQGZJJ-KGLIPLIRSA-N 2 1 292.427 2.153 20 0 CEADMP C1=CC[N@@H+](CCNc2cc(N3CCCCC3)ncn2)CC1 ZINC000280095892 375089253 /nfs/dbraw/zinc/08/92/53/375089253.db2.gz AMPFMIHJVBBWCS-UHFFFAOYSA-N 2 1 287.411 2.141 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000382908524 375195303 /nfs/dbraw/zinc/19/53/03/375195303.db2.gz WCTAJTYTUJUJLM-UONOGXRCSA-N 2 1 268.445 2.248 20 0 CEADMP CCCC1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCC1 ZINC000391999251 375319987 /nfs/dbraw/zinc/31/99/87/375319987.db2.gz XZAAEVHSBLGEJH-AWEZNQCLSA-N 2 1 254.418 2.002 20 0 CEADMP CCCC1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCC1 ZINC000391999251 375319992 /nfs/dbraw/zinc/31/99/92/375319992.db2.gz XZAAEVHSBLGEJH-AWEZNQCLSA-N 2 1 254.418 2.002 20 0 CEADMP COc1c(C)cnc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000386439493 375260106 /nfs/dbraw/zinc/26/01/06/375260106.db2.gz DUSNLZBCDDQTEU-GASCZTMLSA-N 2 1 289.423 2.138 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000399115045 375359502 /nfs/dbraw/zinc/35/95/02/375359502.db2.gz FSEQNFKUMZTNKF-LMSBXDPUSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@H](NCCC[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400337983 375372076 /nfs/dbraw/zinc/37/20/76/375372076.db2.gz FVNCZKZKRONPJN-DOTOQJQBSA-N 2 1 275.440 2.239 20 0 CEADMP Cc1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)no1 ZINC000684570927 542036310 /nfs/dbraw/zinc/03/63/10/542036310.db2.gz RTGHVVHAEABGLT-UHFFFAOYSA-N 2 1 272.352 2.090 20 0 CEADMP Cc1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)no1 ZINC000684570927 542036315 /nfs/dbraw/zinc/03/63/15/542036315.db2.gz RTGHVVHAEABGLT-UHFFFAOYSA-N 2 1 272.352 2.090 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000284057504 375802882 /nfs/dbraw/zinc/80/28/82/375802882.db2.gz KOQSKGFWKCYAAL-MRXNPFEDSA-N 2 1 289.427 2.483 20 0 CEADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)OCC1CC1 ZINC000414276320 375816447 /nfs/dbraw/zinc/81/64/47/375816447.db2.gz VLIMPLPTGCOXOO-GJZGRUSLSA-N 2 1 266.429 2.408 20 0 CEADMP OC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000414290924 375824519 /nfs/dbraw/zinc/82/45/19/375824519.db2.gz OCTWVSYPAWUNNE-CQSZACIVSA-N 2 1 292.398 2.118 20 0 CEADMP CC1CCN(C(=[NH2+])NCCCC[N@@H+](C)C2CC2)CC1 ZINC000414356940 375834243 /nfs/dbraw/zinc/83/42/43/375834243.db2.gz ASOYMRQHNVSUQT-UHFFFAOYSA-N 2 1 266.433 2.117 20 0 CEADMP CCc1nc(NC2CC[NH+](C3CC3)CC2)cc(C)[nH+]1 ZINC000286140835 375854977 /nfs/dbraw/zinc/85/49/77/375854977.db2.gz NKXOVPYWRMYPLT-UHFFFAOYSA-N 2 1 260.385 2.386 20 0 CEADMP CC(C)C[C@@H]([NH3+])c1noc([C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000414610851 375874871 /nfs/dbraw/zinc/87/48/71/375874871.db2.gz BMSWAQLKSBHOOD-SDDRHHMPSA-N 2 1 266.389 2.313 20 0 CEADMP CCCN(Cc1ncc(C[NH+](C)C)s1)C1CC[NH2+]CC1 ZINC000414662145 375905961 /nfs/dbraw/zinc/90/59/61/375905961.db2.gz YURKNAZKRAJESE-UHFFFAOYSA-N 2 1 296.484 2.169 20 0 CEADMP CC(C)C[C@@]1(CO)CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414764667 375955689 /nfs/dbraw/zinc/95/56/89/375955689.db2.gz YSPQXTBJTFBJPG-OAHLLOKOSA-N 2 1 256.434 2.248 20 0 CEADMP CC(C)C[C@@]1(CO)CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414764667 375955696 /nfs/dbraw/zinc/95/56/96/375955696.db2.gz YSPQXTBJTFBJPG-OAHLLOKOSA-N 2 1 256.434 2.248 20 0 CEADMP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000414770995 375961468 /nfs/dbraw/zinc/96/14/68/375961468.db2.gz OPHJALZXWJFBHX-QAETUUGQSA-N 2 1 256.393 2.474 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)C1CC1 ZINC000414796816 375980776 /nfs/dbraw/zinc/98/07/76/375980776.db2.gz IAVFDRVUYHOFCT-LBPRGKRZSA-N 2 1 256.296 2.115 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414778942 375963111 /nfs/dbraw/zinc/96/31/11/375963111.db2.gz JSYOOKWXLRMXNX-VNQPRFMTSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414778942 375963113 /nfs/dbraw/zinc/96/31/13/375963113.db2.gz JSYOOKWXLRMXNX-VNQPRFMTSA-N 2 1 266.429 2.123 20 0 CEADMP C[N@H+](Cc1ccc(OC(F)F)c(F)c1)C1CC([NH3+])C1 ZINC000414779498 375963979 /nfs/dbraw/zinc/96/39/79/375963979.db2.gz RKUOSITWUHDMPZ-UHFFFAOYSA-N 2 1 274.286 2.349 20 0 CEADMP C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C1CC([NH3+])C1 ZINC000414779498 375963984 /nfs/dbraw/zinc/96/39/84/375963984.db2.gz RKUOSITWUHDMPZ-UHFFFAOYSA-N 2 1 274.286 2.349 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)C1CC1 ZINC000414794229 375977154 /nfs/dbraw/zinc/97/71/54/375977154.db2.gz FLUKKIKKDMMHEA-IAGOWNOFSA-N 2 1 290.407 2.071 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414678494 375913636 /nfs/dbraw/zinc/91/36/36/375913636.db2.gz YLLONAXEDGECFI-HUUCEWRRSA-N 2 1 289.423 2.253 20 0 CEADMP CCCCC[C@@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414704815 375932296 /nfs/dbraw/zinc/93/22/96/375932296.db2.gz JRZVDWZUAAZGCV-HZPDHXFCSA-N 2 1 295.471 2.228 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414735726 375943941 /nfs/dbraw/zinc/94/39/41/375943941.db2.gz MHQDIVXYDIIQRP-INIZCTEOSA-N 3 1 269.477 2.414 20 0 CEADMP CC(C)c1ncc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC000414737489 375945526 /nfs/dbraw/zinc/94/55/26/375945526.db2.gz HGBQIJYMTLOJAY-UONOGXRCSA-N 2 1 276.428 2.420 20 0 CEADMP CCCc1csc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000414795680 375980022 /nfs/dbraw/zinc/98/00/22/375980022.db2.gz GVMMWVZHQLWNJK-JQWIXIFHSA-N 2 1 253.415 2.313 20 0 CEADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000414809793 375995301 /nfs/dbraw/zinc/99/53/01/375995301.db2.gz UNESALGSWWLKIO-RHSMWYFYSA-N 2 1 284.407 2.479 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000414810025 375996044 /nfs/dbraw/zinc/99/60/44/375996044.db2.gz WJQIPYTXXSHWMM-UHFFFAOYSA-N 2 1 258.312 2.157 20 0 CEADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414812557 375999536 /nfs/dbraw/zinc/99/95/36/375999536.db2.gz XLACKMXGQQVFCG-WBMJQRKESA-N 2 1 289.423 2.293 20 0 CEADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1C ZINC000414820363 376006551 /nfs/dbraw/zinc/00/65/51/376006551.db2.gz AOMORSSLMKDOCU-DZGCQCFKSA-N 2 1 289.423 2.362 20 0 CEADMP c1ccc2c(c1)CCN[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000414965629 376013540 /nfs/dbraw/zinc/01/35/40/376013540.db2.gz ZUSWCZIGSXNNDE-FCGDIQPGSA-N 2 1 299.462 2.384 20 0 CEADMP CC(C)C[N@H+](Cc1cnn(C)c1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415090657 376018588 /nfs/dbraw/zinc/01/85/88/376018588.db2.gz AXZHABPJTZTVOU-HUUCEWRRSA-N 2 1 278.444 2.266 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1cccc(OCCOC)c1 ZINC000414799225 375982248 /nfs/dbraw/zinc/98/22/48/375982248.db2.gz GCSYDAYUAGGUBI-UHFFFAOYSA-N 2 1 280.412 2.319 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[NH2+]CC(C)(C)[NH3+])c1 ZINC000414802614 375987533 /nfs/dbraw/zinc/98/75/33/375987533.db2.gz KVLWNPDNBLXYFA-UHFFFAOYSA-N 2 1 258.369 2.212 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1O ZINC000414801322 375987716 /nfs/dbraw/zinc/98/77/16/375987716.db2.gz GUSWCBRBSHDDNH-FZMZJTMJSA-N 2 1 278.396 2.049 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1OC(F)F ZINC000414803229 375989842 /nfs/dbraw/zinc/98/98/42/375989842.db2.gz NJFPEQYQPMCITA-NSHDSACASA-N 2 1 286.322 2.124 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000414805514 375991099 /nfs/dbraw/zinc/99/10/99/375991099.db2.gz YTSRCCYDHNNYSE-HNNXBMFYSA-N 2 1 286.379 2.342 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000414806116 375991247 /nfs/dbraw/zinc/99/12/47/375991247.db2.gz ZHYSFZFWDCOTPA-CQSZACIVSA-N 2 1 261.344 2.447 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000286878623 376090462 /nfs/dbraw/zinc/09/04/62/376090462.db2.gz CHUXRSWFQFWGKJ-ZOBUZTSGSA-N 2 1 275.440 2.047 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000286878623 376090469 /nfs/dbraw/zinc/09/04/69/376090469.db2.gz CHUXRSWFQFWGKJ-ZOBUZTSGSA-N 2 1 275.440 2.047 20 0 CEADMP c1cc(CO[C@@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)ccn1 ZINC000287771772 376311936 /nfs/dbraw/zinc/31/19/36/376311936.db2.gz MXMMYKHHBZUXFF-QGZVFWFLSA-N 2 1 289.423 2.158 20 0 CEADMP c1cc(CO[C@@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)ccn1 ZINC000287771772 376311941 /nfs/dbraw/zinc/31/19/41/376311941.db2.gz MXMMYKHHBZUXFF-QGZVFWFLSA-N 2 1 289.423 2.158 20 0 CEADMP Cc1ccoc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000289563998 376403880 /nfs/dbraw/zinc/40/38/80/376403880.db2.gz YXMXDFXOZUBQCU-UHFFFAOYSA-N 2 1 279.428 2.046 20 0 CEADMP Cc1ccoc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000289563998 376403885 /nfs/dbraw/zinc/40/38/85/376403885.db2.gz YXMXDFXOZUBQCU-UHFFFAOYSA-N 2 1 279.428 2.046 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000419249215 376412410 /nfs/dbraw/zinc/41/24/10/376412410.db2.gz YGPQNJWBLLPFCS-OAGGEKHMSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000419249215 376412415 /nfs/dbraw/zinc/41/24/15/376412415.db2.gz YGPQNJWBLLPFCS-OAGGEKHMSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000419249215 376412419 /nfs/dbraw/zinc/41/24/19/376412419.db2.gz YGPQNJWBLLPFCS-OAGGEKHMSA-N 2 1 268.445 2.464 20 0 CEADMP FC(F)(F)CO[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000557333370 376550898 /nfs/dbraw/zinc/55/08/98/376550898.db2.gz ARHVJXJUWWASHT-NWDGAFQWSA-N 2 1 280.334 2.029 20 0 CEADMP C[C@@H](NCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309684562 376600871 /nfs/dbraw/zinc/60/08/71/376600871.db2.gz AMFLOPQNWQRCRW-NVXWUHKLSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@@H]([NH2+]CCN(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309684562 376600876 /nfs/dbraw/zinc/60/08/76/376600876.db2.gz AMFLOPQNWQRCRW-NVXWUHKLSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@@H]([NH2+]CCN(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309684562 376600882 /nfs/dbraw/zinc/60/08/82/376600882.db2.gz AMFLOPQNWQRCRW-NVXWUHKLSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000309692177 376601188 /nfs/dbraw/zinc/60/11/88/376601188.db2.gz DBUDMEUOJIUZPU-XDQVBPFNSA-N 2 1 299.459 2.360 20 0 CEADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309692177 376601198 /nfs/dbraw/zinc/60/11/98/376601198.db2.gz DBUDMEUOJIUZPU-XDQVBPFNSA-N 2 1 299.459 2.360 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000307637657 376569559 /nfs/dbraw/zinc/56/95/59/376569559.db2.gz XCCXRYDZFKZQEB-WMZOPIPTSA-N 2 1 287.451 2.144 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC000557664857 376576399 /nfs/dbraw/zinc/57/63/99/376576399.db2.gz XJWADTCCXUJYFJ-ZDUSSCGKSA-N 2 1 289.423 2.337 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000558009075 376588604 /nfs/dbraw/zinc/58/86/04/376588604.db2.gz CNSTWPQMYPNWPP-CYBMUJFWSA-N 2 1 294.468 2.043 20 0 CEADMP CC[C@H]1C[N@@H+](C)CCN1c1nc(C)nc2c1CCCC2 ZINC000558986905 376656477 /nfs/dbraw/zinc/65/64/77/376656477.db2.gz UAZJYCOENWVRJW-ZDUSSCGKSA-N 2 1 274.412 2.194 20 0 CEADMP CC[C@H]1CN(C)CCN1c1nc(C)nc2c1CCCC2 ZINC000558986905 376656485 /nfs/dbraw/zinc/65/64/85/376656485.db2.gz UAZJYCOENWVRJW-ZDUSSCGKSA-N 2 1 274.412 2.194 20 0 CEADMP Cn1c(N[C@@H](CC[NH3+])C(F)F)[nH+]c2cccc(F)c21 ZINC000420268526 376680475 /nfs/dbraw/zinc/68/04/75/376680475.db2.gz SFFFHGHMLYUJDO-VIFPVBQESA-N 2 1 272.274 2.107 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCCOc1ccc(OC)cc1 ZINC000420388970 376686372 /nfs/dbraw/zinc/68/63/72/376686372.db2.gz MZOZTLDTWXJUMB-UHFFFAOYSA-N 2 1 266.385 2.005 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000312511916 376717890 /nfs/dbraw/zinc/71/78/90/376717890.db2.gz NFEQOECJWDACGN-MRXNPFEDSA-N 2 1 282.428 2.138 20 0 CEADMP CCOC(=O)CCCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000312511916 376717897 /nfs/dbraw/zinc/71/78/97/376717897.db2.gz NFEQOECJWDACGN-MRXNPFEDSA-N 2 1 282.428 2.138 20 0 CEADMP CCOC(=O)CCCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000312511916 376717903 /nfs/dbraw/zinc/71/79/03/376717903.db2.gz NFEQOECJWDACGN-MRXNPFEDSA-N 2 1 282.428 2.138 20 0 CEADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420924889 376740711 /nfs/dbraw/zinc/74/07/11/376740711.db2.gz UVLGKEBODLZIEL-OKILXGFUSA-N 2 1 276.380 2.004 20 0 CEADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc(C)c1O ZINC000290344095 376741834 /nfs/dbraw/zinc/74/18/34/376741834.db2.gz LISWYSLUCROXBZ-UHFFFAOYSA-N 2 1 260.381 2.361 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000290359254 376749182 /nfs/dbraw/zinc/74/91/82/376749182.db2.gz MPHJBBYILYOOOK-LLVKDONJSA-N 2 1 294.424 2.271 20 0 CEADMP Cc1cccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000280472214 542132488 /nfs/dbraw/zinc/13/24/88/542132488.db2.gz CTCSTTUWOBUMPT-JKSUJKDBSA-N 2 1 259.397 2.149 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@H]2CC23CCSCC3)CC1 ZINC000421393621 376808937 /nfs/dbraw/zinc/80/89/37/376808937.db2.gz YRTMBWOWNVUVAP-CQSZACIVSA-N 2 1 298.496 2.220 20 0 CEADMP COCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328604145 376858691 /nfs/dbraw/zinc/85/86/91/376858691.db2.gz IPXRRDXNMJSSHC-AWEZNQCLSA-N 2 1 280.437 2.339 20 0 CEADMP C[C@@H](NC[C@H](c1ccco1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422961151 376886194 /nfs/dbraw/zinc/88/61/94/376886194.db2.gz AUVNEZYNKWPCGN-HZSPNIEDSA-N 2 1 265.401 2.003 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423001739 376919892 /nfs/dbraw/zinc/91/98/92/376919892.db2.gz XRIBGHTXMFBWIS-HRCADAONSA-N 2 1 267.461 2.085 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000423004054 376921616 /nfs/dbraw/zinc/92/16/16/376921616.db2.gz IZROXSOUDAVRNQ-CABCVRRESA-N 3 1 255.450 2.212 20 0 CEADMP C([NH2+]C1CCN(CC2CC2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000562579549 376937229 /nfs/dbraw/zinc/93/72/29/376937229.db2.gz VASCGRUPXKFSMG-UHFFFAOYSA-N 2 1 291.483 2.325 20 0 CEADMP OCC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccco1 ZINC000423057446 376953019 /nfs/dbraw/zinc/95/30/19/376953019.db2.gz ZSCRMZDUTMACNF-YJNKXOJESA-N 2 1 278.396 2.213 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423087687 376978951 /nfs/dbraw/zinc/97/89/51/376978951.db2.gz OQMMIPPONMYCAI-CCGTUFIJSA-N 2 1 288.435 2.130 20 0 CEADMP CC1(C)CCC[N@@H+](CCN[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000423077099 376969875 /nfs/dbraw/zinc/96/98/75/376969875.db2.gz SKUFNKOXYNXQSY-HUUCEWRRSA-N 2 1 267.461 2.216 20 0 CEADMP CC1(C)CCCN(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000423077099 376969876 /nfs/dbraw/zinc/96/98/76/376969876.db2.gz SKUFNKOXYNXQSY-HUUCEWRRSA-N 2 1 267.461 2.216 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423120121 377015698 /nfs/dbraw/zinc/01/56/98/377015698.db2.gz GKUVVCKRNCUMSF-ONIAQPFYSA-N 2 1 287.451 2.380 20 0 CEADMP CO[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Cc1ccccc1 ZINC000423150668 377051778 /nfs/dbraw/zinc/05/17/78/377051778.db2.gz BSBKPRYPYGYYJP-HIFRSBDPSA-N 2 1 285.391 2.402 20 0 CEADMP C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423130413 377030177 /nfs/dbraw/zinc/03/01/77/377030177.db2.gz YFUABPWEZAIDKM-RANZSIQMSA-N 2 1 288.435 2.273 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)c1c[nH+]ccc1N ZINC000423141711 377040180 /nfs/dbraw/zinc/04/01/80/377040180.db2.gz RKKBNFNHFFWHCX-STQMWFEESA-N 2 1 264.417 2.265 20 0 CEADMP CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423145566 377044899 /nfs/dbraw/zinc/04/48/99/377044899.db2.gz LHGYHGYFYZYWGY-MXWKQRLJSA-N 2 1 268.323 2.074 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423089916 376981446 /nfs/dbraw/zinc/98/14/46/376981446.db2.gz WFINYCVHHLHWEC-MAUKXSAKSA-N 2 1 287.451 2.491 20 0 CEADMP C[C@@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423090177 376986201 /nfs/dbraw/zinc/98/62/01/376986201.db2.gz UTDNCMDLUFYZIY-YKWDICOMSA-N 2 1 288.435 2.273 20 0 CEADMP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423102688 376995942 /nfs/dbraw/zinc/99/59/42/376995942.db2.gz OMURSRNLWOZGMV-OXGONZEZSA-N 2 1 266.429 2.169 20 0 CEADMP C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1c[nH+]ccc1N ZINC000423107357 376999822 /nfs/dbraw/zinc/99/98/22/376999822.db2.gz KTTFEGBKYSNXHY-MRVPVSSYSA-N 2 1 259.275 2.487 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C12CCCC2 ZINC000423194833 377110233 /nfs/dbraw/zinc/11/02/33/377110233.db2.gz RTQFTTGYHFJCTM-BFHYXJOUSA-N 2 1 252.402 2.066 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C2 ZINC000423166774 377071810 /nfs/dbraw/zinc/07/18/10/377071810.db2.gz DECXAUHXJICPNL-XPKDYRNWSA-N 2 1 274.408 2.283 20 0 CEADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000423175786 377084356 /nfs/dbraw/zinc/08/43/56/377084356.db2.gz FCVPMJDECUSSKI-GFCCVEGCSA-N 2 1 263.385 2.075 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423184302 377097583 /nfs/dbraw/zinc/09/75/83/377097583.db2.gz IGEAYLQIGGXZNN-WFASDCNBSA-N 2 1 292.423 2.285 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000423183271 377097688 /nfs/dbraw/zinc/09/76/88/377097688.db2.gz HPEQIJKGSRUPDF-RBSFLKMASA-N 2 1 266.429 2.456 20 0 CEADMP C[NH2+]CCC1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000563109051 377097959 /nfs/dbraw/zinc/09/79/59/377097959.db2.gz ZLHJGZNAXHRACZ-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CCC[NH2+]C3)C2)c1 ZINC000423190040 377101456 /nfs/dbraw/zinc/10/14/56/377101456.db2.gz NGMHYARZAVARAN-KBMXLJTQSA-N 2 1 259.397 2.449 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423272315 377192903 /nfs/dbraw/zinc/19/29/03/377192903.db2.gz JUWAWKWZPVHJDR-GJZGRUSLSA-N 2 1 293.455 2.133 20 0 CEADMP COc1ccc(F)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000291242902 377137425 /nfs/dbraw/zinc/13/74/25/377137425.db2.gz QSFVQPPRJXOBGV-UHFFFAOYSA-N 2 1 264.344 2.186 20 0 CEADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423224084 377138979 /nfs/dbraw/zinc/13/89/79/377138979.db2.gz IEWBXQJTKQGEEY-HLLBOEOZSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423224084 377138986 /nfs/dbraw/zinc/13/89/86/377138986.db2.gz IEWBXQJTKQGEEY-HLLBOEOZSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423224084 377138994 /nfs/dbraw/zinc/13/89/94/377138994.db2.gz IEWBXQJTKQGEEY-HLLBOEOZSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000423224084 377138998 /nfs/dbraw/zinc/13/89/98/377138998.db2.gz IEWBXQJTKQGEEY-HLLBOEOZSA-N 2 1 275.440 2.224 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000423251830 377172452 /nfs/dbraw/zinc/17/24/52/377172452.db2.gz XCLOEIUTWRMKPN-INIZCTEOSA-N 2 1 262.397 2.215 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423255975 377176659 /nfs/dbraw/zinc/17/66/59/377176659.db2.gz BDOSTFXSTFRIDH-LZLYRXPVSA-N 2 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423255975 377176666 /nfs/dbraw/zinc/17/66/66/377176666.db2.gz BDOSTFXSTFRIDH-LZLYRXPVSA-N 3 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423255975 377176670 /nfs/dbraw/zinc/17/66/70/377176670.db2.gz BDOSTFXSTFRIDH-LZLYRXPVSA-N 3 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000423255975 377176676 /nfs/dbraw/zinc/17/66/76/377176676.db2.gz BDOSTFXSTFRIDH-LZLYRXPVSA-N 2 1 289.467 2.342 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C[NH3+])C1CC1)CCC2 ZINC000423264595 377182265 /nfs/dbraw/zinc/18/22/65/377182265.db2.gz AGYHRMNDLBFJSW-JKSUJKDBSA-N 2 1 260.381 2.400 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000423268156 377186507 /nfs/dbraw/zinc/18/65/07/377186507.db2.gz GFIIBVMBTQUOTQ-SWLSCSKDSA-N 2 1 277.412 2.022 20 0 CEADMP C[C@H]([NH2+][C@@H](CN)C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423283031 377209428 /nfs/dbraw/zinc/20/94/28/377209428.db2.gz VRBVBELLPUONJN-GUYCJALGSA-N 2 1 291.439 2.015 20 0 CEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423283031 377209435 /nfs/dbraw/zinc/20/94/35/377209435.db2.gz VRBVBELLPUONJN-GUYCJALGSA-N 3 1 291.439 2.015 20 0 CEADMP N[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423284965 377213376 /nfs/dbraw/zinc/21/33/76/377213376.db2.gz ZBFJQXDKPKZKBR-DAXOMENPSA-N 2 1 259.397 2.111 20 0 CEADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C1(C)C ZINC000423285220 377214905 /nfs/dbraw/zinc/21/49/05/377214905.db2.gz YAXCEZRPLKWRGM-MELADBBJSA-N 2 1 254.418 2.297 20 0 CEADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423288649 377216214 /nfs/dbraw/zinc/21/62/14/377216214.db2.gz UDCGJYQVSCBJQG-LBPRGKRZSA-N 2 1 250.386 2.347 20 0 CEADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000423289808 377218987 /nfs/dbraw/zinc/21/89/87/377218987.db2.gz YLORRGRYGOJUKU-GFCCVEGCSA-N 2 1 298.452 2.258 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)C1(C(=O)OC)CCC1 ZINC000423295004 377222766 /nfs/dbraw/zinc/22/27/66/377222766.db2.gz DDKSDIRFGJDJNJ-QWHCGFSZSA-N 2 1 270.417 2.215 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423297247 377228409 /nfs/dbraw/zinc/22/84/09/377228409.db2.gz JKKAKRJIYRDEOY-SYQHCUMBSA-N 2 1 254.418 2.297 20 0 CEADMP COc1cc([C@H](C)[NH2+]CC2C[NH2+]C2)ccc1OC(F)F ZINC000423299528 377229700 /nfs/dbraw/zinc/22/97/00/377229700.db2.gz CCRUVQHCWIDTPZ-VIFPVBQESA-N 2 1 286.322 2.167 20 0 CEADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000563530678 377242122 /nfs/dbraw/zinc/24/21/22/377242122.db2.gz UXDUGSMVZPQJIT-IJEWVQPXSA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000563530678 377242129 /nfs/dbraw/zinc/24/21/29/377242129.db2.gz UXDUGSMVZPQJIT-IJEWVQPXSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423315212 377246491 /nfs/dbraw/zinc/24/64/91/377246491.db2.gz ZDEKXKABRSUAFP-GMSGAONNSA-N 2 1 258.287 2.276 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1F ZINC000423323811 377255648 /nfs/dbraw/zinc/25/56/48/377255648.db2.gz OVJZADZHESKWEL-ZANVPECISA-N 2 1 252.333 2.222 20 0 CEADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423276343 377199999 /nfs/dbraw/zinc/19/99/99/377199999.db2.gz OKRPYLHQNWFKAH-SNPRPXQTSA-N 2 1 250.386 2.336 20 0 CEADMP Cc1nc2c(s1)[C@H]([NH2+][C@H](C[NH3+])C1CC1)CCC2 ZINC000423278447 377205268 /nfs/dbraw/zinc/20/52/68/377205268.db2.gz PYSPFPMXRXXQHZ-VXGBXAGGSA-N 2 1 251.399 2.156 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1Cc2cccc(C)c2CC1(C)C ZINC000563968604 377330868 /nfs/dbraw/zinc/33/08/68/377330868.db2.gz DSKXJATUPSXNHW-INIZCTEOSA-N 2 1 290.451 2.444 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1Cc2cccc(C)c2CC1(C)C ZINC000563968604 377330877 /nfs/dbraw/zinc/33/08/77/377330877.db2.gz DSKXJATUPSXNHW-INIZCTEOSA-N 2 1 290.451 2.444 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1Cc2cccc(C)c2CC1(C)C ZINC000563968604 377330889 /nfs/dbraw/zinc/33/08/89/377330889.db2.gz DSKXJATUPSXNHW-INIZCTEOSA-N 2 1 290.451 2.444 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1Cc2cccc(C)c2CC1(C)C ZINC000563968604 377330902 /nfs/dbraw/zinc/33/09/02/377330902.db2.gz DSKXJATUPSXNHW-INIZCTEOSA-N 2 1 290.451 2.444 20 0 CEADMP Cc1cnccc1CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000563706654 377279583 /nfs/dbraw/zinc/27/95/83/377279583.db2.gz JEJFLESOWWTGKM-MRXNPFEDSA-N 2 1 261.413 2.349 20 0 CEADMP CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccn(C)n1 ZINC000564329362 377376490 /nfs/dbraw/zinc/37/64/90/377376490.db2.gz DGQJEHJVNMZAIN-CQSZACIVSA-N 2 1 258.369 2.120 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1Cc1cnc(N(C)C)n1C ZINC000425325532 377348796 /nfs/dbraw/zinc/34/87/96/377348796.db2.gz OPPXPGRKIVWIRI-GFCCVEGCSA-N 2 1 250.390 2.251 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000564913185 377502199 /nfs/dbraw/zinc/50/21/99/377502199.db2.gz CYHIIZHHWFBTTO-OWCLPIDISA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCO2)C[NH+](C)C ZINC000293249371 377490789 /nfs/dbraw/zinc/49/07/89/377490789.db2.gz BOJJWERHNBKGNW-RYUDHWBXSA-N 2 1 264.369 2.264 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000564948986 377512785 /nfs/dbraw/zinc/51/27/85/377512785.db2.gz RYIJSJPYCLQLFC-BZUAXINKSA-N 2 1 295.471 2.131 20 0 CEADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)CCC[NH3+] ZINC000564969509 377516760 /nfs/dbraw/zinc/51/67/60/377516760.db2.gz YVXOPVDPPJHVTR-UHFFFAOYSA-N 2 1 286.423 2.329 20 0 CEADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)CCC[NH3+] ZINC000564969509 377516764 /nfs/dbraw/zinc/51/67/64/377516764.db2.gz YVXOPVDPPJHVTR-UHFFFAOYSA-N 2 1 286.423 2.329 20 0 CEADMP CC[C@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000565004437 377528455 /nfs/dbraw/zinc/52/84/55/377528455.db2.gz ORSZOOMHPNPUEW-IIAWOOMASA-N 2 1 291.439 2.139 20 0 CEADMP c1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCO2 ZINC000166018478 542180785 /nfs/dbraw/zinc/18/07/85/542180785.db2.gz LEZGFSOUBHEXMZ-HUUCEWRRSA-N 2 1 288.391 2.174 20 0 CEADMP C[C@H]1C[N@@H+](CCOC2CCCCCC2)CC[C@@H]1[NH3+] ZINC000430921862 377565065 /nfs/dbraw/zinc/56/50/65/377565065.db2.gz VHLNWAAKAWGRMK-ZFWWWQNUSA-N 2 1 254.418 2.395 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000430955747 377573071 /nfs/dbraw/zinc/57/30/71/377573071.db2.gz MYMLMTVIOIHKBE-GFCCVEGCSA-N 2 1 266.410 2.068 20 0 CEADMP CC[NH+](CC)CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000265331191 190175175 /nfs/dbraw/zinc/17/51/75/190175175.db2.gz UAJVVKURQXQOBI-MRXNPFEDSA-N 2 1 291.439 2.137 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000430967052 377578673 /nfs/dbraw/zinc/57/86/73/377578673.db2.gz QIEQZAWEIRMVRW-SOUVJXGZSA-N 2 1 283.460 2.080 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000430965134 377579561 /nfs/dbraw/zinc/57/95/61/377579561.db2.gz KIOJJXSNZHOGAZ-BXUZGUMPSA-N 2 1 295.814 2.338 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000530354961 542202230 /nfs/dbraw/zinc/20/22/30/542202230.db2.gz MODSZJUEQRXENP-OAHLLOKOSA-N 2 1 259.328 2.379 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431086621 377597390 /nfs/dbraw/zinc/59/73/90/377597390.db2.gz NVTRGJKBEAVDNQ-WOPDTQHZSA-N 2 1 278.400 2.416 20 0 CEADMP CCCOc1ncccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000565226829 377617457 /nfs/dbraw/zinc/61/74/57/377617457.db2.gz RASBMONSWTVGIX-UONOGXRCSA-N 2 1 263.385 2.230 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC[C@@H]1O ZINC000166771070 542212366 /nfs/dbraw/zinc/21/23/66/542212366.db2.gz IZMJMABRLRWSDY-LVQVYYBASA-N 2 1 266.429 2.144 20 0 CEADMP CC(C)Cc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000313393153 249394933 /nfs/dbraw/zinc/39/49/33/249394933.db2.gz NWSCHHDKPOOJQJ-KRWDZBQOSA-N 2 1 276.424 2.435 20 0 CEADMP CC(C)Cc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000313393153 249394936 /nfs/dbraw/zinc/39/49/36/249394936.db2.gz NWSCHHDKPOOJQJ-KRWDZBQOSA-N 2 1 276.424 2.435 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCC23CC3)CC1 ZINC000565242488 377621466 /nfs/dbraw/zinc/62/14/66/377621466.db2.gz OPAHOJLNZDBXAW-INIZCTEOSA-N 2 1 279.472 2.326 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ncc[nH]1 ZINC000285534892 542215472 /nfs/dbraw/zinc/21/54/72/542215472.db2.gz FRLSEYOLOISKJT-CYBMUJFWSA-N 2 1 288.395 2.201 20 0 CEADMP C[C@H]([NH2+]CC1(O)CCC(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000566132362 377732586 /nfs/dbraw/zinc/73/25/86/377732586.db2.gz WOSBEVJKALPPMP-BBBYJDLNSA-N 2 1 266.429 2.168 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC000566040313 377712220 /nfs/dbraw/zinc/71/22/20/377712220.db2.gz FOGRTKGJFWRAEN-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP CCn1cc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cn1 ZINC000432404735 377756755 /nfs/dbraw/zinc/75/67/55/377756755.db2.gz FQESVLJQIZXEJL-HUUCEWRRSA-N 2 1 294.443 2.055 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)cn1 ZINC000432404735 377756761 /nfs/dbraw/zinc/75/67/61/377756761.db2.gz FQESVLJQIZXEJL-HUUCEWRRSA-N 2 1 294.443 2.055 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cn1 ZINC000432404735 377756768 /nfs/dbraw/zinc/75/67/68/377756768.db2.gz FQESVLJQIZXEJL-HUUCEWRRSA-N 2 1 294.443 2.055 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cn1 ZINC000432404735 377756773 /nfs/dbraw/zinc/75/67/73/377756773.db2.gz FQESVLJQIZXEJL-HUUCEWRRSA-N 2 1 294.443 2.055 20 0 CEADMP C[C@@H](CCc1ccco1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000567449174 377818180 /nfs/dbraw/zinc/81/81/80/377818180.db2.gz LADHVZXECLRDOV-HNNXBMFYSA-N 2 1 293.455 2.216 20 0 CEADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000293908162 377819227 /nfs/dbraw/zinc/81/92/27/377819227.db2.gz ZYBXOSKIVQZNME-CHWSQXEVSA-N 2 1 277.412 2.493 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000566944313 377788921 /nfs/dbraw/zinc/78/89/21/377788921.db2.gz JBEHQTWUWGBHMA-RRFJBIMHSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000566944313 377788928 /nfs/dbraw/zinc/78/89/28/377788928.db2.gz JBEHQTWUWGBHMA-RRFJBIMHSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000566944313 377788935 /nfs/dbraw/zinc/78/89/35/377788935.db2.gz JBEHQTWUWGBHMA-RRFJBIMHSA-N 2 1 255.450 2.037 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000438119691 377887668 /nfs/dbraw/zinc/88/76/68/377887668.db2.gz KDZXEVVLRFRPTF-HNNXBMFYSA-N 2 1 277.412 2.101 20 0 CEADMP CO[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000441352693 377938142 /nfs/dbraw/zinc/93/81/42/377938142.db2.gz UQEHUJAJXSLLMF-VQHPVUNQSA-N 2 1 298.471 2.375 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000441352693 377938147 /nfs/dbraw/zinc/93/81/47/377938147.db2.gz UQEHUJAJXSLLMF-VQHPVUNQSA-N 2 1 298.471 2.375 20 0 CEADMP CO[C@@H]1CC[N@H+](CCC[NH+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000441352693 377938154 /nfs/dbraw/zinc/93/81/54/377938154.db2.gz UQEHUJAJXSLLMF-VQHPVUNQSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000442666282 377977592 /nfs/dbraw/zinc/97/75/92/377977592.db2.gz TZUWFKYPVVNXRM-CHWSQXEVSA-N 2 1 250.411 2.448 20 0 CEADMP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000442666282 377977598 /nfs/dbraw/zinc/97/75/98/377977598.db2.gz TZUWFKYPVVNXRM-CHWSQXEVSA-N 2 1 250.411 2.448 20 0 CEADMP C[C@H]([NH3+])C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000442666285 377978798 /nfs/dbraw/zinc/97/87/98/377978798.db2.gz TZUWFKYPVVNXRM-STQMWFEESA-N 2 1 250.411 2.448 20 0 CEADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000442666285 377978799 /nfs/dbraw/zinc/97/87/99/377978799.db2.gz TZUWFKYPVVNXRM-STQMWFEESA-N 2 1 250.411 2.448 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOCCOc2ccccc2)C1 ZINC000443077558 378035604 /nfs/dbraw/zinc/03/56/04/378035604.db2.gz UYXODCPTYVTIRG-INIZCTEOSA-N 2 1 292.423 2.143 20 0 CEADMP C[N@H+](C[C@H](O)c1ccc(F)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000266018166 190223368 /nfs/dbraw/zinc/22/33/68/190223368.db2.gz QXKDPAPBPCWCSQ-WBMJQRKESA-N 2 1 298.377 2.272 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000266018166 190223369 /nfs/dbraw/zinc/22/33/69/190223369.db2.gz QXKDPAPBPCWCSQ-WBMJQRKESA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@H](O)c1ccc(F)cc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000266018166 190223370 /nfs/dbraw/zinc/22/33/70/190223370.db2.gz QXKDPAPBPCWCSQ-WBMJQRKESA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@H](O)c1ccc(F)cc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000266018166 190223371 /nfs/dbraw/zinc/22/33/71/190223371.db2.gz QXKDPAPBPCWCSQ-WBMJQRKESA-N 2 1 298.377 2.272 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC000447570738 378118427 /nfs/dbraw/zinc/11/84/27/378118427.db2.gz HTMUQOHIIWTDPI-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000447570738 378118435 /nfs/dbraw/zinc/11/84/35/378118435.db2.gz HTMUQOHIIWTDPI-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000447570738 378118440 /nfs/dbraw/zinc/11/84/40/378118440.db2.gz HTMUQOHIIWTDPI-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000447570738 378118446 /nfs/dbraw/zinc/11/84/46/378118446.db2.gz HTMUQOHIIWTDPI-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000447570738 378118450 /nfs/dbraw/zinc/11/84/50/378118450.db2.gz HTMUQOHIIWTDPI-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP CN(C)c1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000447582917 378121004 /nfs/dbraw/zinc/12/10/04/378121004.db2.gz AGPWYSXQTSJXAY-MQVJKMGUSA-N 2 1 273.424 2.467 20 0 CEADMP CN(CC[N@@H+](C)Cc1ccccc1)CC[NH+]1CCCC1 ZINC000450408098 378400326 /nfs/dbraw/zinc/40/03/26/378400326.db2.gz TZBLEYPCJFYMNJ-UHFFFAOYSA-N 2 1 275.440 2.146 20 0 CEADMP CCc1cc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000450375605 378382086 /nfs/dbraw/zinc/38/20/86/378382086.db2.gz HMZKIBJLKVKKMC-GASCZTMLSA-N 2 1 291.439 2.367 20 0 CEADMP CC1CC[NH+](CCN2CC[N@H+](C3CC3)C[C@@H](C)C2)CC1 ZINC000451089701 378704261 /nfs/dbraw/zinc/70/42/61/378704261.db2.gz FLEYHFRWZQPMTM-INIZCTEOSA-N 2 1 279.472 2.134 20 0 CEADMP Fc1cccc(OCC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298447556 378729978 /nfs/dbraw/zinc/72/99/78/378729978.db2.gz NTSCOPOJFGDFHK-UHFFFAOYSA-N 2 1 278.371 2.421 20 0 CEADMP C[C@@](O)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000298571653 378768871 /nfs/dbraw/zinc/76/88/71/378768871.db2.gz XBXMABSHCCNDBN-OAHLLOKOSA-N 2 1 280.437 2.172 20 0 CEADMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C(C)(C)C ZINC000453095830 378800637 /nfs/dbraw/zinc/80/06/37/378800637.db2.gz HKGGBYXZNADPDD-GJZGRUSLSA-N 2 1 297.487 2.378 20 0 CEADMP C[C@H](O)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298534907 378758979 /nfs/dbraw/zinc/75/89/79/378758979.db2.gz SJOJZXGSXKNYEV-ZDUSSCGKSA-N 2 1 274.408 2.456 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000453098703 378802447 /nfs/dbraw/zinc/80/24/47/378802447.db2.gz JZZGRVPMRVSUSK-MRXNPFEDSA-N 2 1 279.472 2.326 20 0 CEADMP COC1([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000453100450 378802910 /nfs/dbraw/zinc/80/29/10/378802910.db2.gz WZGPAXBQAVNEBP-JKSUJKDBSA-N 2 1 298.471 2.425 20 0 CEADMP COC(=O)c1cc(C[NH2+]CCCn2cc[nH+]c2C)oc1C ZINC000298718908 378812732 /nfs/dbraw/zinc/81/27/32/378812732.db2.gz ZZZIAXROBNPWFM-UHFFFAOYSA-N 2 1 291.351 2.059 20 0 CEADMP CC(C)([NH3+])C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000346836696 218029990 /nfs/dbraw/zinc/02/99/90/218029990.db2.gz UXYULEMSZCGLNG-UHFFFAOYSA-N 2 1 262.397 2.405 20 0 CEADMP COc1ncc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000453280067 378853847 /nfs/dbraw/zinc/85/38/47/378853847.db2.gz AYUJHXUPGAYXNG-ZWNOBZJWSA-N 2 1 283.803 2.173 20 0 CEADMP COc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000453280067 378853851 /nfs/dbraw/zinc/85/38/51/378853851.db2.gz AYUJHXUPGAYXNG-ZWNOBZJWSA-N 2 1 283.803 2.173 20 0 CEADMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)OC ZINC000453240929 378837118 /nfs/dbraw/zinc/83/71/18/378837118.db2.gz CPXOGYDXVYMVDQ-TUVASFSCSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC[NH+]1CCCC1(C)C ZINC000453401016 378888848 /nfs/dbraw/zinc/88/88/48/378888848.db2.gz OSPVYWKYQXMPOK-KFWWJZLASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCC[N@@H+]1CCCC1(C)C ZINC000453401016 378888851 /nfs/dbraw/zinc/88/88/51/378888851.db2.gz OSPVYWKYQXMPOK-KFWWJZLASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCC[N@H+]1CCCC1(C)C ZINC000453401016 378888853 /nfs/dbraw/zinc/88/88/53/378888853.db2.gz OSPVYWKYQXMPOK-KFWWJZLASA-N 2 1 267.461 2.179 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000453413918 378894256 /nfs/dbraw/zinc/89/42/56/378894256.db2.gz WUNQYQRSHLDHMG-GDBMZVCRSA-N 3 1 265.445 2.077 20 0 CEADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000453413918 378894261 /nfs/dbraw/zinc/89/42/61/378894261.db2.gz WUNQYQRSHLDHMG-GDBMZVCRSA-N 3 1 265.445 2.077 20 0 CEADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000453413918 378894269 /nfs/dbraw/zinc/89/42/69/378894269.db2.gz WUNQYQRSHLDHMG-GDBMZVCRSA-N 3 1 265.445 2.077 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000453424313 378899397 /nfs/dbraw/zinc/89/93/97/378899397.db2.gz GHOFFBROKHSSRJ-BPQIPLTHSA-N 2 1 290.451 2.279 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000453424313 378899403 /nfs/dbraw/zinc/89/94/03/378899403.db2.gz GHOFFBROKHSSRJ-BPQIPLTHSA-N 2 1 290.451 2.279 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000453424316 378899416 /nfs/dbraw/zinc/89/94/16/378899416.db2.gz GHOFFBROKHSSRJ-KBAYOESNSA-N 2 1 290.451 2.279 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000453424316 378899422 /nfs/dbraw/zinc/89/94/22/378899422.db2.gz GHOFFBROKHSSRJ-KBAYOESNSA-N 2 1 290.451 2.279 20 0 CEADMP CC[N@H+](CC(C)(C)[NH3+])[C@H](COC)Cc1ccccc1 ZINC000346987207 218082128 /nfs/dbraw/zinc/08/21/28/218082128.db2.gz QMSWQKAUSDRNOM-HNNXBMFYSA-N 2 1 264.413 2.303 20 0 CEADMP CC[N@@H+](CC(C)(C)[NH3+])[C@H](COC)Cc1ccccc1 ZINC000346987207 218082130 /nfs/dbraw/zinc/08/21/30/218082130.db2.gz QMSWQKAUSDRNOM-HNNXBMFYSA-N 2 1 264.413 2.303 20 0 CEADMP COC1(C[NH2+]CCCC[N@@H+](C)C2CC2)CCCC1 ZINC000453594407 378916330 /nfs/dbraw/zinc/91/63/30/378916330.db2.gz ILWFNMXXANBEIS-UHFFFAOYSA-N 2 1 254.418 2.410 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453597450 378916599 /nfs/dbraw/zinc/91/65/99/378916599.db2.gz NNFJHTFYJSYCHD-UHFFFAOYSA-N 2 1 290.407 2.437 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cccnc2)C1 ZINC000347036466 218101452 /nfs/dbraw/zinc/10/14/52/218101452.db2.gz GYBGOGCIDNTRLL-DZGCQCFKSA-N 2 1 299.422 2.041 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1-n1cncn1 ZINC000347050530 218104193 /nfs/dbraw/zinc/10/41/93/218104193.db2.gz QVNNVSQFFDEVDD-HOCLYGCPSA-N 2 1 299.422 2.135 20 0 CEADMP CCC[N@H+](Cc1cccc2c1OCO2)C1CC[NH2+]CC1 ZINC000347080184 218115564 /nfs/dbraw/zinc/11/55/64/218115564.db2.gz XDATWBQVJDRRNH-UHFFFAOYSA-N 2 1 276.380 2.379 20 0 CEADMP CCC[N@@H+](Cc1cccc2c1OCO2)C1CC[NH2+]CC1 ZINC000347080184 218115567 /nfs/dbraw/zinc/11/55/67/218115567.db2.gz XDATWBQVJDRRNH-UHFFFAOYSA-N 2 1 276.380 2.379 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000347089745 218118273 /nfs/dbraw/zinc/11/82/73/218118273.db2.gz FQDCNLROCGFRCN-CQSZACIVSA-N 2 1 260.381 2.256 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(CC(F)(F)F)c2)C1 ZINC000347073762 218112972 /nfs/dbraw/zinc/11/29/72/218112972.db2.gz SMCGLCXHVDQJLF-ZYHUDNBSSA-N 2 1 290.333 2.005 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(CC(F)(F)F)c2)C1 ZINC000347073762 218112974 /nfs/dbraw/zinc/11/29/74/218112974.db2.gz SMCGLCXHVDQJLF-ZYHUDNBSSA-N 2 1 290.333 2.005 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000347140076 218134727 /nfs/dbraw/zinc/13/47/27/218134727.db2.gz WCTPHVUCOYEQQX-TZMCWYRMSA-N 2 1 278.396 2.263 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000347140076 218134729 /nfs/dbraw/zinc/13/47/29/218134729.db2.gz WCTPHVUCOYEQQX-TZMCWYRMSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000347233520 218163827 /nfs/dbraw/zinc/16/38/27/218163827.db2.gz YWXGFJYTPJJKOT-JSGCOSHPSA-N 2 1 285.395 2.031 20 0 CEADMP Cc1cc(C)c(CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cn1 ZINC000454976380 379046768 /nfs/dbraw/zinc/04/67/68/379046768.db2.gz PTBDMZHDQDRSPK-AWEZNQCLSA-N 2 1 292.427 2.226 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000180166950 542261586 /nfs/dbraw/zinc/26/15/86/542261586.db2.gz SFYRRQAIBKPFRF-NSHDSACASA-N 2 1 262.401 2.243 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000180165579 542261690 /nfs/dbraw/zinc/26/16/90/542261690.db2.gz SGMQPGWRUDEEQA-VXGBXAGGSA-N 2 1 250.390 2.101 20 0 CEADMP Cc1c[nH]nc1C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000352833241 220265051 /nfs/dbraw/zinc/26/50/51/220265051.db2.gz HOKATXNWLNYDTE-UHFFFAOYSA-N 2 1 264.417 2.320 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000300521789 379175149 /nfs/dbraw/zinc/17/51/49/379175149.db2.gz RVCQEPKFDOTORH-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)CC2CCCCC2)CC[N@H+]1C ZINC000180836889 542266864 /nfs/dbraw/zinc/26/68/64/542266864.db2.gz VXWSHOISDDNSPN-GDBMZVCRSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cncc(F)c1 ZINC000278930140 194217482 /nfs/dbraw/zinc/21/74/82/194217482.db2.gz IZGZZUSAZMNXRR-NEPJUHHUSA-N 2 1 274.343 2.330 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(C)n1 ZINC000278931853 194217710 /nfs/dbraw/zinc/21/77/10/194217710.db2.gz JFNKULQVEXHXCK-SMDDNHRTSA-N 2 1 285.395 2.203 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000523120718 379584811 /nfs/dbraw/zinc/58/48/11/379584811.db2.gz ADXAQTKROYEGFY-LVQVYYBASA-N 2 1 295.471 2.094 20 0 CEADMP CCCCC[N@H+]1CCC[C@H]1CN1CCC[C@H]1CO ZINC000304869905 379599056 /nfs/dbraw/zinc/59/90/56/379599056.db2.gz GUCBDTVVHQNANC-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP CCCCCN1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO ZINC000304869905 379599060 /nfs/dbraw/zinc/59/90/60/379599060.db2.gz GUCBDTVVHQNANC-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP CCCCCN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000304869905 379599066 /nfs/dbraw/zinc/59/90/66/379599066.db2.gz GUCBDTVVHQNANC-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000267037512 190299118 /nfs/dbraw/zinc/29/91/18/190299118.db2.gz CMJNBPMCHUQZBM-NVXWUHKLSA-N 2 1 276.424 2.384 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000267037512 190299119 /nfs/dbraw/zinc/29/91/19/190299119.db2.gz CMJNBPMCHUQZBM-NVXWUHKLSA-N 2 1 276.424 2.384 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000267037512 190299120 /nfs/dbraw/zinc/29/91/20/190299120.db2.gz CMJNBPMCHUQZBM-NVXWUHKLSA-N 2 1 276.424 2.384 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000267037512 190299121 /nfs/dbraw/zinc/29/91/21/190299121.db2.gz CMJNBPMCHUQZBM-NVXWUHKLSA-N 2 1 276.424 2.384 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000526106458 379701403 /nfs/dbraw/zinc/70/14/03/379701403.db2.gz ZIHRGSDOHHHDBX-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)cc1Cl ZINC000527021268 379721363 /nfs/dbraw/zinc/72/13/63/379721363.db2.gz BNMMSYGNRNNCKU-GFCCVEGCSA-N 2 1 295.814 2.292 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1Cl ZINC000527021268 379721368 /nfs/dbraw/zinc/72/13/68/379721368.db2.gz BNMMSYGNRNNCKU-GFCCVEGCSA-N 2 1 295.814 2.292 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[N@H+](C)C2)cc1Cl ZINC000527021269 379721414 /nfs/dbraw/zinc/72/14/14/379721414.db2.gz BNMMSYGNRNNCKU-LBPRGKRZSA-N 2 1 295.814 2.292 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C2)cc1Cl ZINC000527021269 379721417 /nfs/dbraw/zinc/72/14/17/379721417.db2.gz BNMMSYGNRNNCKU-LBPRGKRZSA-N 2 1 295.814 2.292 20 0 CEADMP CC(C)(CO)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305355286 379710522 /nfs/dbraw/zinc/71/05/22/379710522.db2.gz RUSHSDJCUWLPJB-KBPBESRZSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527703575 379793933 /nfs/dbraw/zinc/79/39/33/379793933.db2.gz KOWAPIGYDVWMPL-BPUTZDHNSA-N 2 1 279.472 2.037 20 0 CEADMP CC(C)c1ncc2c(n1)CC[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)C2 ZINC000527617305 379778406 /nfs/dbraw/zinc/77/84/06/379778406.db2.gz FFLCTWIVRSRHQH-KGLIPLIRSA-N 2 1 288.439 2.346 20 0 CEADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)C2CC2)cn1 ZINC000528042871 379885573 /nfs/dbraw/zinc/88/55/73/379885573.db2.gz IDQJXCQFNYEXIF-INIZCTEOSA-N 2 1 275.396 2.225 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(CO)ccc2F)[C@@H](C)C1 ZINC000528414796 379964624 /nfs/dbraw/zinc/96/46/24/379964624.db2.gz HGOOAKUVJBEHPR-SUMWQHHRSA-N 2 1 294.414 2.480 20 0 CEADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000528382194 379955392 /nfs/dbraw/zinc/95/53/92/379955392.db2.gz PBMRMZKTJDJCCF-WBVHZDCISA-N 2 1 294.414 2.267 20 0 CEADMP CC(C)[C@@H]1CN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC[N@H+]1C ZINC000489383416 380183254 /nfs/dbraw/zinc/18/32/54/380183254.db2.gz AKUILPPMRKBRTL-WCVJEAGWSA-N 2 1 295.471 2.046 20 0 CEADMP C[N@H+](Cc1ccc2[nH]cnc2c1)CC1CC[NH+](C)CC1 ZINC000537636353 380243838 /nfs/dbraw/zinc/24/38/38/380243838.db2.gz BMPXSKVYOIFTFS-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP C[N@@H+](Cc1ccc2nc[nH]c2c1)CC1CC[NH+](C)CC1 ZINC000537636353 380243841 /nfs/dbraw/zinc/24/38/41/380243841.db2.gz BMPXSKVYOIFTFS-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP C[N@H+](Cc1ccc2nc[nH]c2c1)CC1CC[NH+](C)CC1 ZINC000537636353 380243846 /nfs/dbraw/zinc/24/38/46/380243846.db2.gz BMPXSKVYOIFTFS-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C1CCOCC1 ZINC000541534623 380274326 /nfs/dbraw/zinc/27/43/26/380274326.db2.gz VIEPAERWVPXPDE-UHFFFAOYSA-N 2 1 286.379 2.187 20 0 CEADMP Cn1cc(C(C)(C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000546704607 380412100 /nfs/dbraw/zinc/41/21/00/380412100.db2.gz DPGMBWADUGYLID-CQSZACIVSA-N 2 1 264.417 2.119 20 0 CEADMP Cn1cc(C(C)(C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000546704607 380412111 /nfs/dbraw/zinc/41/21/11/380412111.db2.gz DPGMBWADUGYLID-CQSZACIVSA-N 2 1 264.417 2.119 20 0 CEADMP C[N@@H+](CCC(=O)NC[C@@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000546723377 380416358 /nfs/dbraw/zinc/41/63/58/380416358.db2.gz PWDLZITVVOJMOW-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](CCC(=O)NC[C@@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000546723377 380416362 /nfs/dbraw/zinc/41/63/62/380416362.db2.gz PWDLZITVVOJMOW-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](CCC(=O)NC[C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000546723377 380416366 /nfs/dbraw/zinc/41/63/66/380416366.db2.gz PWDLZITVVOJMOW-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCN(CCC[NH+](C)C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548393689 380511062 /nfs/dbraw/zinc/51/10/62/380511062.db2.gz WFNNJXCYDSTCNI-UHFFFAOYSA-N 2 1 297.487 2.441 20 0 CEADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C1CCCCC1)C(C)C ZINC000547735968 380462904 /nfs/dbraw/zinc/46/29/04/380462904.db2.gz QVWVDVSFVBPODP-UHFFFAOYSA-N 2 1 297.487 2.488 20 0 CEADMP CC[NH+](CCNC(=O)CC[N@H+](C)C1CCCCC1)C(C)C ZINC000547735968 380462908 /nfs/dbraw/zinc/46/29/08/380462908.db2.gz QVWVDVSFVBPODP-UHFFFAOYSA-N 2 1 297.487 2.488 20 0 CEADMP CC[NH+](CCNC(=O)CC[N@@H+](C)C1CCCCC1)C(C)C ZINC000547735968 380462912 /nfs/dbraw/zinc/46/29/12/380462912.db2.gz QVWVDVSFVBPODP-UHFFFAOYSA-N 2 1 297.487 2.488 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000552100494 380684209 /nfs/dbraw/zinc/68/42/09/380684209.db2.gz KOGMMXUINQKWOO-KKUMJFAQSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000552100494 380684212 /nfs/dbraw/zinc/68/42/12/380684212.db2.gz KOGMMXUINQKWOO-KKUMJFAQSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOCC(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000552227663 380695406 /nfs/dbraw/zinc/69/54/06/380695406.db2.gz ZESVZDAJJNEZLU-RWMBFGLXSA-N 2 1 294.361 2.418 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000492874757 380716499 /nfs/dbraw/zinc/71/64/99/380716499.db2.gz QFEOOZSOGYTLAH-ILXRZTDVSA-N 2 1 254.418 2.002 20 0 CEADMP C(C[N@H+]1CCCC2(C1)CCCCCC2)N1CC[NH2+]CC1 ZINC000334785753 207073276 /nfs/dbraw/zinc/07/32/76/207073276.db2.gz RORSQMGJTTUILV-UHFFFAOYSA-N 2 1 279.472 2.328 20 0 CEADMP CC(C)OC1CC([N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000334790435 207079704 /nfs/dbraw/zinc/07/97/04/207079704.db2.gz YCSLUIILYHUHHJ-LMPOIIKSSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)OC1CC([N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000334790435 207079707 /nfs/dbraw/zinc/07/97/07/207079707.db2.gz YCSLUIILYHUHHJ-LMPOIIKSSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)OC1CC([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000334790435 207079710 /nfs/dbraw/zinc/07/97/10/207079710.db2.gz YCSLUIILYHUHHJ-LMPOIIKSSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)OC1CC([NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000334790435 207079713 /nfs/dbraw/zinc/07/97/13/207079713.db2.gz YCSLUIILYHUHHJ-LMPOIIKSSA-N 2 1 266.429 2.359 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000334822148 207138143 /nfs/dbraw/zinc/13/81/43/207138143.db2.gz USNRUTWCTMHBAQ-GXTWGEPZSA-N 2 1 272.396 2.059 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000334845661 207177523 /nfs/dbraw/zinc/17/75/23/207177523.db2.gz ZXTKOGRCEIDBPP-ZDUSSCGKSA-N 2 1 254.324 2.443 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000045692015 542343370 /nfs/dbraw/zinc/34/33/70/542343370.db2.gz MQYSOEYLIVYNBV-KBPBESRZSA-N 3 1 255.450 2.037 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000414505026 533019621 /nfs/dbraw/zinc/01/96/21/533019621.db2.gz UCGPMKZMPPLHBX-NHYWBVRUSA-N 2 1 297.468 2.498 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335260952 208049878 /nfs/dbraw/zinc/04/98/78/208049878.db2.gz YBRBLUDHDKDSQA-GASCZTMLSA-N 2 1 276.428 2.204 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335278726 208087601 /nfs/dbraw/zinc/08/76/01/208087601.db2.gz ONUHSIKARUKLFT-GFCCVEGCSA-N 2 1 279.453 2.458 20 0 CEADMP C[C@@H]1CC2(C[N@@H+]1Cc1nccn1C(F)F)CC[NH2+]CC2 ZINC000335279971 208089373 /nfs/dbraw/zinc/08/93/73/208089373.db2.gz KQRTWLQMQDJFMA-LLVKDONJSA-N 2 1 284.354 2.242 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1nccn1C(F)F)CC[NH2+]CC2 ZINC000335279971 208089377 /nfs/dbraw/zinc/08/93/77/208089377.db2.gz KQRTWLQMQDJFMA-LLVKDONJSA-N 2 1 284.354 2.242 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000335348496 208247640 /nfs/dbraw/zinc/24/76/40/208247640.db2.gz JKSGVDYOEKNGDL-NOZJJQNGSA-N 2 1 253.415 2.177 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2=CCCOC2)C[C@H]1C ZINC000353752705 220306560 /nfs/dbraw/zinc/30/65/60/220306560.db2.gz UBAZOSBSKSUISP-UKRRQHHQSA-N 2 1 252.402 2.138 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2=CCCOC2)C[C@H]1C ZINC000353752705 220306564 /nfs/dbraw/zinc/30/65/64/220306564.db2.gz UBAZOSBSKSUISP-UKRRQHHQSA-N 2 1 252.402 2.138 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2=CCCOC2)C[C@H]1C ZINC000353752705 220306565 /nfs/dbraw/zinc/30/65/65/220306565.db2.gz UBAZOSBSKSUISP-UKRRQHHQSA-N 2 1 252.402 2.138 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OCCOC)cc1 ZINC000289374967 197317473 /nfs/dbraw/zinc/31/74/73/197317473.db2.gz BPBHAQDENXXLQF-UHFFFAOYSA-N 2 1 294.439 2.485 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCCOC)cc1 ZINC000289374967 197317475 /nfs/dbraw/zinc/31/74/75/197317475.db2.gz BPBHAQDENXXLQF-UHFFFAOYSA-N 2 1 294.439 2.485 20 0 CEADMP CC[C@H]([NH2+]CC[N@H+](CC)C(C)C)C1(C(=O)OC)CCC1 ZINC000353843095 220363547 /nfs/dbraw/zinc/36/35/47/220363547.db2.gz LPGADQBFQRPRFY-AWEZNQCLSA-N 2 1 284.444 2.428 20 0 CEADMP CC[C@H]([NH2+]CC[N@@H+](CC)C(C)C)C1(C(=O)OC)CCC1 ZINC000353843095 220363548 /nfs/dbraw/zinc/36/35/48/220363548.db2.gz LPGADQBFQRPRFY-AWEZNQCLSA-N 2 1 284.444 2.428 20 0 CEADMP OC1(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000411402051 285233626 /nfs/dbraw/zinc/23/36/26/285233626.db2.gz RRNPKBHKEOSCQU-HOCLYGCPSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000411402051 285233631 /nfs/dbraw/zinc/23/36/31/285233631.db2.gz RRNPKBHKEOSCQU-HOCLYGCPSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000411402051 285233633 /nfs/dbraw/zinc/23/36/33/285233633.db2.gz RRNPKBHKEOSCQU-HOCLYGCPSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000411402051 285233637 /nfs/dbraw/zinc/23/36/37/285233637.db2.gz RRNPKBHKEOSCQU-HOCLYGCPSA-N 2 1 278.440 2.240 20 0 CEADMP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000354517488 220784351 /nfs/dbraw/zinc/78/43/51/220784351.db2.gz XZOPAOBVEGSOBA-GDBMZVCRSA-N 2 1 261.413 2.395 20 0 CEADMP O[C@@H]1c2ccccc2C[C@@H]1[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000361986508 285339309 /nfs/dbraw/zinc/33/93/09/285339309.db2.gz POMLIXQTAABMRK-SXXASDTRSA-N 2 1 298.430 2.061 20 0 CEADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000361986508 285339311 /nfs/dbraw/zinc/33/93/11/285339311.db2.gz POMLIXQTAABMRK-SXXASDTRSA-N 2 1 298.430 2.061 20 0 CEADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000361986508 285339312 /nfs/dbraw/zinc/33/93/12/285339312.db2.gz POMLIXQTAABMRK-SXXASDTRSA-N 2 1 298.430 2.061 20 0 CEADMP O[C@H](C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)C1CCCCC1 ZINC000368972582 285354539 /nfs/dbraw/zinc/35/45/39/285354539.db2.gz GEQLIQYATRJRSW-ZJPYXAASSA-N 2 1 292.467 2.344 20 0 CEADMP O[C@H](C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)C1CCCCC1 ZINC000368972582 285354543 /nfs/dbraw/zinc/35/45/43/285354543.db2.gz GEQLIQYATRJRSW-ZJPYXAASSA-N 2 1 292.467 2.344 20 0 CEADMP O[C@H](C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)C1CCCCC1 ZINC000368972582 285354548 /nfs/dbraw/zinc/35/45/48/285354548.db2.gz GEQLIQYATRJRSW-ZJPYXAASSA-N 2 1 292.467 2.344 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000281647188 195321192 /nfs/dbraw/zinc/32/11/92/195321192.db2.gz JMOFYPICHQIMSO-AEFFLSMTSA-N 2 1 288.435 2.284 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000281647188 195321194 /nfs/dbraw/zinc/32/11/94/195321194.db2.gz JMOFYPICHQIMSO-AEFFLSMTSA-N 2 1 288.435 2.284 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCOC2)[C@H](C)C1 ZINC000336721020 285397108 /nfs/dbraw/zinc/39/71/08/285397108.db2.gz XCNSDSKRFRWSIL-KFWWJZLASA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCOC2)[C@H](C)C1 ZINC000336721020 285397110 /nfs/dbraw/zinc/39/71/10/285397110.db2.gz XCNSDSKRFRWSIL-KFWWJZLASA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCOC2)[C@H](C)C1 ZINC000336721020 285397112 /nfs/dbraw/zinc/39/71/12/285397112.db2.gz XCNSDSKRFRWSIL-KFWWJZLASA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@](C)([C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000414505028 533356597 /nfs/dbraw/zinc/35/65/97/533356597.db2.gz UCGPMKZMPPLHBX-XHDPSFHLSA-N 2 1 297.468 2.498 20 0 CEADMP COc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)n1 ZINC000190953609 130165054 /nfs/dbraw/zinc/16/50/54/130165054.db2.gz YNVILPHKVNJGDT-LBPRGKRZSA-N 2 1 274.368 2.021 20 0 CEADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000366757630 130210738 /nfs/dbraw/zinc/21/07/38/130210738.db2.gz LGFKJCZKGMNQMX-KRWDZBQOSA-N 2 1 276.424 2.355 20 0 CEADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000366757630 130210739 /nfs/dbraw/zinc/21/07/39/130210739.db2.gz LGFKJCZKGMNQMX-KRWDZBQOSA-N 2 1 276.424 2.355 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342088513 130303453 /nfs/dbraw/zinc/30/34/53/130303453.db2.gz RAWMCNONRWGMLX-IMJJTQAJSA-N 2 1 273.424 2.312 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000300219706 394454002 /nfs/dbraw/zinc/45/40/02/394454002.db2.gz CQAGBPFFNFKAND-MGPQQGTHSA-N 2 1 299.459 2.362 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@@H+](CC[C@H](C)F)CC2)CC1 ZINC000420975345 394461400 /nfs/dbraw/zinc/46/14/00/394461400.db2.gz FROSIBGVBWMMGL-HNNXBMFYSA-N 2 1 285.451 2.227 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H]1CCc2ccccc2NC1=O ZINC000232734166 394481733 /nfs/dbraw/zinc/48/17/33/394481733.db2.gz MFBMLSLCZNRPPI-GDBMZVCRSA-N 2 1 289.423 2.245 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H]1CCc2ccccc2NC1=O ZINC000232734166 394481736 /nfs/dbraw/zinc/48/17/36/394481736.db2.gz MFBMLSLCZNRPPI-GDBMZVCRSA-N 2 1 289.423 2.245 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC[NH2+]C)cc1)C(C)C ZINC000236922914 394489906 /nfs/dbraw/zinc/48/99/06/394489906.db2.gz PVUQGXACISUDKU-UHFFFAOYSA-N 2 1 291.439 2.208 20 0 CEADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[NH3+])cc1 ZINC000237684009 394492807 /nfs/dbraw/zinc/49/28/07/394492807.db2.gz RQWQPEYGGHSVHW-CQSZACIVSA-N 2 1 289.423 2.026 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC2(O)CCC2)[C@@H](C)C1 ZINC000421373299 394515964 /nfs/dbraw/zinc/51/59/64/394515964.db2.gz DWTZNTROTACRBB-UONOGXRCSA-N 2 1 254.418 2.002 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](CO)CCC(C)(C)C)CC1 ZINC000355683366 394501035 /nfs/dbraw/zinc/50/10/35/394501035.db2.gz RZYHDJZTQABENF-CQSZACIVSA-N 2 1 256.434 2.248 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCn2cccn2)CC1 ZINC000058396417 394565852 /nfs/dbraw/zinc/56/58/52/394565852.db2.gz RAFHKGZGBGVVPH-UHFFFAOYSA-N 2 1 278.444 2.327 20 0 CEADMP Cc1c(Cl)c(C[NH2+]CCCC[N@@H+](C)C2CC2)nn1C ZINC000421380909 394519433 /nfs/dbraw/zinc/51/94/33/394519433.db2.gz KOUZWEMUSCTVOV-UHFFFAOYSA-N 2 1 284.835 2.346 20 0 CEADMP CC1CC[NH+](CCN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000246870448 394522430 /nfs/dbraw/zinc/52/24/30/394522430.db2.gz UOYNRMCLTAFBCO-IRXDYDNUSA-N 2 1 279.472 2.134 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309980288 394534509 /nfs/dbraw/zinc/53/45/09/394534509.db2.gz UPGQWEVLYRQXPG-NVXWUHKLSA-N 3 1 275.440 2.226 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000309980288 394534512 /nfs/dbraw/zinc/53/45/12/394534512.db2.gz UPGQWEVLYRQXPG-NVXWUHKLSA-N 2 1 275.440 2.226 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000248410190 394539649 /nfs/dbraw/zinc/53/96/49/394539649.db2.gz XPFUIKVQVALQQP-QSJFSLAZSA-N 2 1 295.471 2.001 20 0 CEADMP C([NH2+][C@H]1CCC[C@@H](C2CC2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666368 394658060 /nfs/dbraw/zinc/65/80/60/394658060.db2.gz ZCQPLCURTOBLMC-YYIAUSFCSA-N 2 1 278.440 2.408 20 0 CEADMP C([NH2+][C@H]1CCC[C@@H](C2CC2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666368 394658066 /nfs/dbraw/zinc/65/80/66/394658066.db2.gz ZCQPLCURTOBLMC-YYIAUSFCSA-N 2 1 278.440 2.408 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)C1 ZINC000356814269 394620940 /nfs/dbraw/zinc/62/09/40/394620940.db2.gz QLTXDBHHYHFAKU-GJZGRUSLSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)[C@H]1CCC[NH2+]1 ZINC000331988620 394635271 /nfs/dbraw/zinc/63/52/71/394635271.db2.gz UMKPNIITKCSREW-XZJROXQQSA-N 2 1 259.397 2.376 20 0 CEADMP C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000422710261 394733155 /nfs/dbraw/zinc/73/31/55/394733155.db2.gz FNFJKMBGSDGZIF-KCQAQPDRSA-N 2 1 293.480 2.225 20 0 CEADMP C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000422710261 394733157 /nfs/dbraw/zinc/73/31/57/394733157.db2.gz FNFJKMBGSDGZIF-KCQAQPDRSA-N 2 1 293.480 2.225 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422715498 394736169 /nfs/dbraw/zinc/73/61/69/394736169.db2.gz MJMDQSNJGYKQSS-FUHWJXTLSA-N 3 1 289.467 2.268 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000422715498 394736173 /nfs/dbraw/zinc/73/61/73/394736173.db2.gz MJMDQSNJGYKQSS-FUHWJXTLSA-N 2 1 289.467 2.268 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@](C)(OC)C2CC2)CC1 ZINC000414236018 394737023 /nfs/dbraw/zinc/73/70/23/394737023.db2.gz VFHWBVQLHLABBY-DOMZBBRYSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000422722757 394740394 /nfs/dbraw/zinc/74/03/94/394740394.db2.gz YXILOANVRMJIMF-QXGIVVGOSA-N 2 1 299.462 2.306 20 0 CEADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000422722757 394740398 /nfs/dbraw/zinc/74/03/98/394740398.db2.gz YXILOANVRMJIMF-QXGIVVGOSA-N 2 1 299.462 2.306 20 0 CEADMP CCC(CC)C(=O)N1CCC([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422724878 394741460 /nfs/dbraw/zinc/74/14/60/394741460.db2.gz WWTQZMNXBMRYIA-BBRMVZONSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@@H]1C[N@H+](C2CCC(O)(C(F)(F)F)CC2)C[C@@]1(C)C[NH3+] ZINC000335210900 394749245 /nfs/dbraw/zinc/74/92/45/394749245.db2.gz XOQJTSCUDZWWFL-CQLXCSJHSA-N 2 1 294.361 2.139 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000359243821 394745438 /nfs/dbraw/zinc/74/54/38/394745438.db2.gz OGFMNLPHLUIUFV-GASCZTMLSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[NH+](C)CC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000359243821 394745442 /nfs/dbraw/zinc/74/54/42/394745442.db2.gz OGFMNLPHLUIUFV-GASCZTMLSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[NH+](C)CC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000359243821 394745445 /nfs/dbraw/zinc/74/54/45/394745445.db2.gz OGFMNLPHLUIUFV-GASCZTMLSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@H](NCC[N@@H+]1CCc2sccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422730375 394745483 /nfs/dbraw/zinc/74/54/83/394745483.db2.gz DPWVYKJQIIPEME-ZFWWWQNUSA-N 2 1 293.480 2.226 20 0 CEADMP C[C@H](NCC[N@H+]1CCc2sccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422730375 394745485 /nfs/dbraw/zinc/74/54/85/394745485.db2.gz DPWVYKJQIIPEME-ZFWWWQNUSA-N 2 1 293.480 2.226 20 0 CEADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCOCC[NH3+])C1 ZINC000357077065 394694213 /nfs/dbraw/zinc/69/42/13/394694213.db2.gz JITMKHKRSIQDON-IUODEOHRSA-N 2 1 266.360 2.184 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(OC)nc2)C1 ZINC000414079180 394697253 /nfs/dbraw/zinc/69/72/53/394697253.db2.gz SNKBNWWQJIQPNL-ZBFHGGJFSA-N 2 1 291.439 2.343 20 0 CEADMP C[NH+](C)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])c1cccc(F)c1 ZINC000422733709 394746291 /nfs/dbraw/zinc/74/62/91/394746291.db2.gz RJGUVVYNTMQJAD-CWRNSKLLSA-N 2 1 279.403 2.145 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000268953116 394703874 /nfs/dbraw/zinc/70/38/74/394703874.db2.gz VRBBPWAYJSFQET-XJNFMUPTSA-N 2 1 276.424 2.347 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000414135897 394713246 /nfs/dbraw/zinc/71/32/46/394713246.db2.gz FAWSFFIYUIECLW-ZQNQSHIBSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCOc3ccc(F)cc3C2)CC[NH2+]1 ZINC000334880902 394716933 /nfs/dbraw/zinc/71/69/33/394716933.db2.gz HURDBWYEPIHCIT-STQMWFEESA-N 2 1 278.371 2.408 20 0 CEADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1nccn1C ZINC000414168820 394721154 /nfs/dbraw/zinc/72/11/54/394721154.db2.gz ARYUAZZGPXWUGU-KBPBESRZSA-N 2 1 264.417 2.193 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422635696 394722591 /nfs/dbraw/zinc/72/25/91/394722591.db2.gz LYUZDXKSRONAMO-NFAWXSAZSA-N 2 1 286.423 2.448 20 0 CEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@]1(C)CCCO1 ZINC000414194562 394727443 /nfs/dbraw/zinc/72/74/43/394727443.db2.gz UKTQMVKXRZUBHY-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH3+])CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414822629 394753366 /nfs/dbraw/zinc/75/33/66/394753366.db2.gz NHPDUKJCBIMZSN-ZOBUZTSGSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(N(C)C)CCCCC1 ZINC000422751665 394759903 /nfs/dbraw/zinc/75/99/03/394759903.db2.gz GJCWKJMALUMGED-GJZGRUSLSA-N 2 1 267.461 2.229 20 0 CEADMP Cc1[nH]nc2ncc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)cc12 ZINC000414835785 394761011 /nfs/dbraw/zinc/76/10/11/394761011.db2.gz HUVKTBWAIXCCSJ-HNNXBMFYSA-N 2 1 287.411 2.264 20 0 CEADMP Cc1cccc2ncc(C[NH2+]CC3([NH3+])CCCCC3)n21 ZINC000414834442 394761256 /nfs/dbraw/zinc/76/12/56/394761256.db2.gz BWSMKORJQCHZDL-UHFFFAOYSA-N 2 1 272.396 2.394 20 0 CEADMP C[N@H+](CCN[C@@H]1CCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000422759177 394764074 /nfs/dbraw/zinc/76/40/74/394764074.db2.gz KUYXMTQDNWBGRB-DLBZAZTESA-N 2 1 275.440 2.368 20 0 CEADMP C[N@@H+](CCN[C@@H]1CCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000422759177 394764080 /nfs/dbraw/zinc/76/40/80/394764080.db2.gz KUYXMTQDNWBGRB-DLBZAZTESA-N 2 1 275.440 2.368 20 0 CEADMP C[C@@H]([NH2+]CCN1c2ccccc2C[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422759874 394764132 /nfs/dbraw/zinc/76/41/32/394764132.db2.gz KHJUMLIHVPHYNE-SQWLQELKSA-N 2 1 273.424 2.168 20 0 CEADMP COCCOc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000414842906 394766097 /nfs/dbraw/zinc/76/60/97/394766097.db2.gz NKBOSRCDPFXLSO-UHFFFAOYSA-N 2 1 292.423 2.463 20 0 CEADMP C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)C1C[NH2+]C1 ZINC000422763056 394767172 /nfs/dbraw/zinc/76/71/72/394767172.db2.gz OLIRLRJBXDHWSS-XHDPSFHLSA-N 2 1 281.831 2.140 20 0 CEADMP C[C@@H]([NH2+]Cc1nc2ccccc2n1C)[C@@H]1CCC[NH2+]C1 ZINC000414846910 394768357 /nfs/dbraw/zinc/76/83/57/394768357.db2.gz FLPYPRYFUIUEKA-CHWSQXEVSA-N 2 1 272.396 2.051 20 0 CEADMP CC[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422769329 394771632 /nfs/dbraw/zinc/77/16/32/394771632.db2.gz OPZHITCSNVLESO-XHSDSOJGSA-N 2 1 267.461 2.371 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000414861622 394776057 /nfs/dbraw/zinc/77/60/57/394776057.db2.gz SIKYCOYHPDOMHF-UHFFFAOYSA-N 2 1 290.386 2.327 20 0 CEADMP C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414862727 394776962 /nfs/dbraw/zinc/77/69/62/394776962.db2.gz HNZCQUVSYYJYQD-SWLSCSKDSA-N 2 1 250.361 2.488 20 0 CEADMP CCC[NH2+]CC[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000414875451 394783038 /nfs/dbraw/zinc/78/30/38/394783038.db2.gz UIOGPGSAXMCYNC-ZDUSSCGKSA-N 2 1 274.412 2.473 20 0 CEADMP C[C@@H](C[NH3+])CNCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414880981 394785167 /nfs/dbraw/zinc/78/51/67/394785167.db2.gz RMCUJQUWOUIIBO-HNNXBMFYSA-N 2 1 277.456 2.329 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414880981 394785168 /nfs/dbraw/zinc/78/51/68/394785168.db2.gz RMCUJQUWOUIIBO-HNNXBMFYSA-N 3 1 277.456 2.329 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414880981 394785170 /nfs/dbraw/zinc/78/51/70/394785170.db2.gz RMCUJQUWOUIIBO-HNNXBMFYSA-N 3 1 277.456 2.329 20 0 CEADMP CC[NH+](CC)Cc1ccccc1CN[C@@H](C)C1C[NH2+]C1 ZINC000422787994 394785718 /nfs/dbraw/zinc/78/57/18/394785718.db2.gz MVCCKILWTIWWJN-AWEZNQCLSA-N 2 1 275.440 2.226 20 0 CEADMP COc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1Br ZINC000414889479 394790031 /nfs/dbraw/zinc/79/00/31/394790031.db2.gz SSRXGSCPRNEMQI-UHFFFAOYSA-N 2 1 299.212 2.429 20 0 CEADMP CCC(CC)c1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])on1 ZINC000422792224 394790543 /nfs/dbraw/zinc/79/05/43/394790543.db2.gz VUAJKLREWMJIQV-KCPJHIHWSA-N 2 1 295.427 2.420 20 0 CEADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000422792505 394790642 /nfs/dbraw/zinc/79/06/42/394790642.db2.gz XCPZNZGKUGEZEY-XHSDSOJGSA-N 2 1 261.413 2.067 20 0 CEADMP C[C@@H](NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422800901 394795970 /nfs/dbraw/zinc/79/59/70/394795970.db2.gz DFGIUUMZDDERIQ-SNPRPXQTSA-N 2 1 281.469 2.471 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)NCCC[N@H+]1CCc2ccccc2C1 ZINC000422802513 394798100 /nfs/dbraw/zinc/79/81/00/394798100.db2.gz DLQQSKZCPRJEMB-CABCVRRESA-N 2 1 275.440 2.150 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCN1CCc2ccccc2C1 ZINC000422802513 394798101 /nfs/dbraw/zinc/79/81/01/394798101.db2.gz DLQQSKZCPRJEMB-CABCVRRESA-N 2 1 275.440 2.150 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C12CCCC2 ZINC000422803195 394798185 /nfs/dbraw/zinc/79/81/85/394798185.db2.gz IIEMTYWJMKJGFT-CBBWQLFWSA-N 2 1 266.429 2.312 20 0 CEADMP COc1ccc(OC)c(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422805619 394799598 /nfs/dbraw/zinc/79/95/98/394799598.db2.gz MGZPLNZLLREPNK-WFASDCNBSA-N 2 1 278.396 2.182 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422809743 394801717 /nfs/dbraw/zinc/80/17/17/394801717.db2.gz QKJPYRLNXYWBPQ-IRXDYDNUSA-N 3 1 273.424 2.252 20 0 CEADMP Cc1csc(N2CCC([NH2+][C@H]3C[NH2+]CC[C@@H]3C)CC2)n1 ZINC000414923373 394804701 /nfs/dbraw/zinc/80/47/01/394804701.db2.gz GZGAXAOTJPZVMO-FZMZJTMJSA-N 2 1 294.468 2.008 20 0 CEADMP C[C@@H]([NH2+]CC1(CCO)CCCC1)c1c[nH+]ccc1N ZINC000422815131 394806422 /nfs/dbraw/zinc/80/64/22/394806422.db2.gz WYILPLLMFAWMMA-GFCCVEGCSA-N 2 1 263.385 2.088 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414933993 394809760 /nfs/dbraw/zinc/80/97/60/394809760.db2.gz ACTVHCWMRZDJAL-DYVFJYSZSA-N 2 1 284.407 2.268 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414933294 394810018 /nfs/dbraw/zinc/81/00/18/394810018.db2.gz DNSAREZNXPKAPX-GOEBONIOSA-N 2 1 284.407 2.268 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000360987473 394811618 /nfs/dbraw/zinc/81/16/18/394811618.db2.gz PZDIBTNHCUMQLB-YESZJQIVSA-N 2 1 298.471 2.140 20 0 CEADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414942576 394814319 /nfs/dbraw/zinc/81/43/19/394814319.db2.gz ZUGYDGHLSYZSSM-NFAWXSAZSA-N 2 1 290.407 2.324 20 0 CEADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)C[NH3+])c(Cl)c1 ZINC000414946177 394816726 /nfs/dbraw/zinc/81/67/26/394816726.db2.gz RUFFUMHTMHMLSN-MNOVXSKESA-N 2 1 283.803 2.302 20 0 CEADMP COc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1F ZINC000414946915 394817051 /nfs/dbraw/zinc/81/70/51/394817051.db2.gz UYUHNEWUOKZZLZ-UHFFFAOYSA-N 2 1 252.333 2.066 20 0 CEADMP C[C@@H]([NH2+]CCCOC1CCCC1)c1c[nH+]ccc1N ZINC000422836117 394819987 /nfs/dbraw/zinc/81/99/87/394819987.db2.gz ZUDZZDQFVBAVER-GFCCVEGCSA-N 2 1 263.385 2.494 20 0 CEADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414701205 394749771 /nfs/dbraw/zinc/74/97/71/394749771.db2.gz UHLPHCXVPLDTJP-SOUVJXGZSA-N 2 1 295.471 2.083 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000422920034 394863008 /nfs/dbraw/zinc/86/30/08/394863008.db2.gz LJPJMDBQHKXYOT-CABCVRRESA-N 2 1 266.360 2.245 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1cccc(Cl)c1 ZINC000422925157 394864451 /nfs/dbraw/zinc/86/44/51/394864451.db2.gz ZUTCFHHCOZWGAM-MGPQQGTHSA-N 2 1 268.788 2.497 20 0 CEADMP CCOc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000415053730 394866118 /nfs/dbraw/zinc/86/61/18/394866118.db2.gz PARPVKARQXZRPX-HOCLYGCPSA-N 2 1 289.423 2.444 20 0 CEADMP CCOc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000415053730 394866123 /nfs/dbraw/zinc/86/61/23/394866123.db2.gz PARPVKARQXZRPX-HOCLYGCPSA-N 2 1 289.423 2.444 20 0 CEADMP COC[C@H](CCC[NH3+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000422967547 394869095 /nfs/dbraw/zinc/86/90/95/394869095.db2.gz TWIGUCJCYLDIJF-DLBZAZTESA-N 2 1 299.503 2.231 20 0 CEADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422969956 394870429 /nfs/dbraw/zinc/87/04/29/394870429.db2.gz VKNFRPDCOVATPT-BREBYQMCSA-N 2 1 251.374 2.125 20 0 CEADMP COc1ccccc1OCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129679390 394871650 /nfs/dbraw/zinc/87/16/50/394871650.db2.gz WBDRJOLGSQTGOQ-ZIAGYGMSSA-N 2 1 278.396 2.146 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000336803178 394875052 /nfs/dbraw/zinc/87/50/52/394875052.db2.gz XISHHPMNLUJSIJ-ARFHVFGLSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000336803178 394875054 /nfs/dbraw/zinc/87/50/54/394875054.db2.gz XISHHPMNLUJSIJ-ARFHVFGLSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000336803178 394875056 /nfs/dbraw/zinc/87/50/56/394875056.db2.gz XISHHPMNLUJSIJ-ARFHVFGLSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1 ZINC000129876725 394875331 /nfs/dbraw/zinc/87/53/31/394875331.db2.gz VRZROKKENPWZMN-RISCZKNCSA-N 2 1 295.814 2.208 20 0 CEADMP FC1(F)Oc2cccc(C[NH2+]CCC[NH2+]C3CC3)c2O1 ZINC000415072562 394875524 /nfs/dbraw/zinc/87/55/24/394875524.db2.gz WSXDDXUILAIVRQ-UHFFFAOYSA-N 2 1 284.306 2.240 20 0 CEADMP CSCC[C@H](CO)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422992571 394876087 /nfs/dbraw/zinc/87/60/87/394876087.db2.gz RKNCQNSEPUJNFT-OAGGEKHMSA-N 2 1 294.464 2.183 20 0 CEADMP CO[C@H]1CC[N@H+](CCCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000336805804 394876330 /nfs/dbraw/zinc/87/63/30/394876330.db2.gz RBSJPXTUWSGDJN-ZFWWWQNUSA-N 2 1 265.401 2.471 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000336805804 394876335 /nfs/dbraw/zinc/87/63/35/394876335.db2.gz RBSJPXTUWSGDJN-ZFWWWQNUSA-N 2 1 265.401 2.471 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422990859 394876358 /nfs/dbraw/zinc/87/63/58/394876358.db2.gz ADVKWEKKXXYLCB-FCLJQHQZSA-N 3 1 279.472 2.370 20 0 CEADMP COCc1cccc(C[NH2+]C[C@@H]([NH3+])CC(C)C)c1 ZINC000415077832 394878012 /nfs/dbraw/zinc/87/80/12/394878012.db2.gz FOBIDJDYHXMABR-HNNXBMFYSA-N 2 1 250.386 2.296 20 0 CEADMP CC(C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCC1 ZINC000129991355 394878273 /nfs/dbraw/zinc/87/82/73/394878273.db2.gz WSLHTZHWZOHYCV-OAGGEKHMSA-N 2 1 267.461 2.179 20 0 CEADMP CCc1noc(CC)c1C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415077487 394878474 /nfs/dbraw/zinc/87/84/74/394878474.db2.gz FHHVARCJJGTBLG-VXGBXAGGSA-N 2 1 265.401 2.420 20 0 CEADMP CC(C)CSCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423008662 394879150 /nfs/dbraw/zinc/87/91/50/394879150.db2.gz AWJTWEIEFWFLAU-KFWWJZLASA-N 2 1 286.485 2.122 20 0 CEADMP CCC(CC)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000129996669 394879642 /nfs/dbraw/zinc/87/96/42/394879642.db2.gz ABXGBJWSZLYPPX-BMFZPTHFSA-N 2 1 269.477 2.425 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH2+]CCOc1ncccc1Cl ZINC000415082288 394880445 /nfs/dbraw/zinc/88/04/45/394880445.db2.gz DCGPPXADRMERSA-NSHDSACASA-N 2 1 271.792 2.077 20 0 CEADMP C[C@H]([NH2+]C[C@](C)(CO)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423083415 394885707 /nfs/dbraw/zinc/88/57/07/394885707.db2.gz YUWDUTKHYLIXJL-RYQLBKOJSA-N 2 1 290.451 2.348 20 0 CEADMP C[C@@H]([NH2+]CCSCC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423011588 394881577 /nfs/dbraw/zinc/88/15/77/394881577.db2.gz BATWBXNJCYTIEB-ZJUUUORDSA-N 2 1 270.364 2.402 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000414961186 394827420 /nfs/dbraw/zinc/82/74/20/394827420.db2.gz RTALZXBZDWJSTC-FZMZJTMJSA-N 2 1 288.420 2.293 20 0 CEADMP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000423013505 394882638 /nfs/dbraw/zinc/88/26/38/394882638.db2.gz NACIVVXILGMQEB-ARFHVFGLSA-N 2 1 288.439 2.158 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361612198 394833159 /nfs/dbraw/zinc/83/31/59/394833159.db2.gz UBJRTPUUWIXOQR-NVXWUHKLSA-N 2 1 296.455 2.131 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361612198 394833161 /nfs/dbraw/zinc/83/31/61/394833161.db2.gz UBJRTPUUWIXOQR-NVXWUHKLSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361612198 394833162 /nfs/dbraw/zinc/83/31/62/394833162.db2.gz UBJRTPUUWIXOQR-NVXWUHKLSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361612198 394833164 /nfs/dbraw/zinc/83/31/64/394833164.db2.gz UBJRTPUUWIXOQR-NVXWUHKLSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCCC[C@H]1C ZINC000422860005 394834567 /nfs/dbraw/zinc/83/45/67/394834567.db2.gz KXHRHPCRZOHBEG-AFLMIKJESA-N 2 1 265.445 2.122 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@H+]1CCCC[C@H]1C ZINC000422859730 394835115 /nfs/dbraw/zinc/83/51/15/394835115.db2.gz KEUVVOACWQLCBO-RYRKJORJSA-N 2 1 289.467 2.409 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000414980154 394835587 /nfs/dbraw/zinc/83/55/87/394835587.db2.gz PELIXJWMOYNLFH-LLVKDONJSA-N 2 1 258.312 2.157 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000422864342 394837095 /nfs/dbraw/zinc/83/70/95/394837095.db2.gz UULBQCLPLIULLY-IMJJTQAJSA-N 2 1 265.445 2.253 20 0 CEADMP COc1cc(C[NH2+]C[C@@H]([NH3+])CC(C)C)ccc1C ZINC000415086844 394883279 /nfs/dbraw/zinc/88/32/79/394883279.db2.gz VDNBSKFDSYJKJW-AWEZNQCLSA-N 2 1 250.386 2.467 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCC[C@H]1[NH3+] ZINC000422868746 394839436 /nfs/dbraw/zinc/83/94/36/394839436.db2.gz VUCFFTMGKHCSAH-SJORKVTESA-N 2 1 275.440 2.496 20 0 CEADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422868746 394839441 /nfs/dbraw/zinc/83/94/41/394839441.db2.gz VUCFFTMGKHCSAH-SJORKVTESA-N 3 1 275.440 2.496 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422868746 394839446 /nfs/dbraw/zinc/83/94/46/394839446.db2.gz VUCFFTMGKHCSAH-SJORKVTESA-N 3 1 275.440 2.496 20 0 CEADMP C[C@@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000422868448 394839672 /nfs/dbraw/zinc/83/96/72/394839672.db2.gz UZRMOFOZGSCNPX-UGUYLWEFSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)N1CCCC[C@@H]1C ZINC000422868448 394839675 /nfs/dbraw/zinc/83/96/75/394839675.db2.gz UZRMOFOZGSCNPX-UGUYLWEFSA-N 2 1 267.461 2.227 20 0 CEADMP CC[C@H](NC[C@@H](C)[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422868945 394840509 /nfs/dbraw/zinc/84/05/09/394840509.db2.gz WGMYEZADYRUXJU-WCVJEAGWSA-N 2 1 267.461 2.370 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000279641314 394843666 /nfs/dbraw/zinc/84/36/66/394843666.db2.gz ARNLGZIXJFCSBZ-RDJZCZTQSA-N 2 1 294.439 2.321 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000423025942 394883771 /nfs/dbraw/zinc/88/37/71/394883771.db2.gz AHCVUSAEGXOLKI-UGUYLWEFSA-N 2 1 267.461 2.370 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCN(C)[C@H]1C ZINC000423025942 394883772 /nfs/dbraw/zinc/88/37/72/394883772.db2.gz AHCVUSAEGXOLKI-UGUYLWEFSA-N 2 1 267.461 2.370 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)[C@H](C)[NH3+] ZINC000415011618 394848418 /nfs/dbraw/zinc/84/84/18/394848418.db2.gz QWZDWJJMRVIMPI-VHSXEESVSA-N 2 1 276.302 2.453 20 0 CEADMP COCCC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCCC1 ZINC000422889640 394852148 /nfs/dbraw/zinc/85/21/48/394852148.db2.gz QAHCOUUZQLOQRL-ZIAGYGMSSA-N 2 1 254.418 2.171 20 0 CEADMP c1sc2ccccc2c1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415034902 394856585 /nfs/dbraw/zinc/85/65/85/394856585.db2.gz IKVQUANYSOICML-ZDUSSCGKSA-N 2 1 276.405 2.369 20 0 CEADMP CC(C)COc1cccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000415044575 394861928 /nfs/dbraw/zinc/86/19/28/394861928.db2.gz SFBUPQMFUHSKAE-QGZVFWFLSA-N 2 1 292.423 2.190 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CCCCCOc2ccccc2)CCCO1 ZINC000415115170 394894259 /nfs/dbraw/zinc/89/42/59/394894259.db2.gz WOOKOETVEDIRDQ-KRWDZBQOSA-N 2 1 292.423 2.285 20 0 CEADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2C[NH2+]C2)CC1 ZINC000423338455 394891426 /nfs/dbraw/zinc/89/14/26/394891426.db2.gz ZFIDQQYWCKGXSD-UHFFFAOYSA-N 3 1 287.451 2.239 20 0 CEADMP C[C@H](C[NH3+])N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423342826 394892141 /nfs/dbraw/zinc/89/21/41/394892141.db2.gz YZAXPUDZWAVTHJ-DZUCGIPZSA-N 2 1 273.424 2.119 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000337452173 394894709 /nfs/dbraw/zinc/89/47/09/394894709.db2.gz UQBBDYOJNBMFRB-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000415125378 394897747 /nfs/dbraw/zinc/89/77/47/394897747.db2.gz LBFAASMJVOZAOS-OLZOCXBDSA-N 2 1 296.484 2.406 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000415125378 394897751 /nfs/dbraw/zinc/89/77/51/394897751.db2.gz LBFAASMJVOZAOS-OLZOCXBDSA-N 2 1 296.484 2.406 20 0 CEADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423355674 394899285 /nfs/dbraw/zinc/89/92/85/394899285.db2.gz FTWQKMAYHGNXMP-XYPHTWIQSA-N 2 1 294.414 2.361 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423398030 394914851 /nfs/dbraw/zinc/91/48/51/394914851.db2.gz SUSZOXRMGHEPMG-BBRMVZONSA-N 2 1 289.423 2.263 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1O ZINC000423409999 394917116 /nfs/dbraw/zinc/91/71/16/394917116.db2.gz ZJYBRSQBIFODTI-NTZNESFSSA-N 2 1 264.369 2.049 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H](C)CCCC[NH3+] ZINC000423442130 394922551 /nfs/dbraw/zinc/92/25/51/394922551.db2.gz UYWJOAQRVNVZIA-FMKPAKJESA-N 3 1 263.429 2.052 20 0 CEADMP CC[C@H]([NH3+])CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423458368 394925489 /nfs/dbraw/zinc/92/54/89/394925489.db2.gz GTXLBPTVBRAOLY-JYJNAYRXSA-N 2 1 261.413 2.149 20 0 CEADMP CC[C@H]([NH3+])CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423458366 394925570 /nfs/dbraw/zinc/92/55/70/394925570.db2.gz GTXLBPTVBRAOLY-HRCADAONSA-N 2 1 261.413 2.149 20 0 CEADMP C[C@@H]1CCC[N@H+]1C1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000365610087 394929724 /nfs/dbraw/zinc/92/97/24/394929724.db2.gz CCNVTTZAAORRQL-CYBMUJFWSA-N 2 1 299.422 2.358 20 0 CEADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423498730 394936044 /nfs/dbraw/zinc/93/60/44/394936044.db2.gz BXGSABKWQHTMJF-DOTOQJQBSA-N 2 1 287.451 2.174 20 0 CEADMP CC(C)CC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C(C)(C)C ZINC000423502739 394938708 /nfs/dbraw/zinc/93/87/08/394938708.db2.gz FHYVJCJVEDACAI-CABCVRRESA-N 2 1 269.477 2.331 20 0 CEADMP Cc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C2CCC2)cc1 ZINC000423504921 394939352 /nfs/dbraw/zinc/93/93/52/394939352.db2.gz GEURKOPCMCRPJF-MSOLQXFVSA-N 2 1 287.451 2.329 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000339073322 394940544 /nfs/dbraw/zinc/94/05/44/394940544.db2.gz BQCHMGPGJBDLEX-XHSDSOJGSA-N 2 1 266.429 2.408 20 0 CEADMP Fc1cncc([C@H]([NH2+]CCC[NH2+]C2CC2)C2CC2)c1 ZINC000423546640 394949841 /nfs/dbraw/zinc/94/98/41/394949841.db2.gz FPCVQRXDRMSDGN-OAHLLOKOSA-N 2 1 263.360 2.404 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000366654597 394951090 /nfs/dbraw/zinc/95/10/90/394951090.db2.gz CEUACCYBZMMCHQ-CQSZACIVSA-N 3 1 290.455 2.298 20 0 CEADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371266796 395027082 /nfs/dbraw/zinc/02/70/82/395027082.db2.gz QSJXUPQPMCMGFP-SFHVURJKSA-N 2 1 287.451 2.146 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415973564 394989637 /nfs/dbraw/zinc/98/96/37/394989637.db2.gz ORXKXCLINQVLOA-CYBMUJFWSA-N 2 1 292.427 2.258 20 0 CEADMP CC1CCC(O)(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000369612604 395000871 /nfs/dbraw/zinc/00/08/71/395000871.db2.gz BRCPRKMOAOHJKI-YZMJHREJSA-N 2 1 292.467 2.344 20 0 CEADMP CC1CCC(O)(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000369612604 395000875 /nfs/dbraw/zinc/00/08/75/395000875.db2.gz BRCPRKMOAOHJKI-YZMJHREJSA-N 2 1 292.467 2.344 20 0 CEADMP CC1CCC(O)(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000369612604 395000881 /nfs/dbraw/zinc/00/08/81/395000881.db2.gz BRCPRKMOAOHJKI-YZMJHREJSA-N 2 1 292.467 2.344 20 0 CEADMP CC(C)n1ccnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342102089 395009815 /nfs/dbraw/zinc/00/98/15/395009815.db2.gz LOYHPKONMGVYHH-IHRRRGAJSA-N 2 1 262.401 2.023 20 0 CEADMP CC(C)n1ccnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342102089 395009817 /nfs/dbraw/zinc/00/98/17/395009817.db2.gz LOYHPKONMGVYHH-IHRRRGAJSA-N 2 1 262.401 2.023 20 0 CEADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CC3CCCC3)C2)CC1 ZINC000367109150 394957948 /nfs/dbraw/zinc/95/79/48/394957948.db2.gz HTCRJLILLIPLGG-QGZVFWFLSA-N 2 1 279.472 2.136 20 0 CEADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCCC2)C1)[NH+](C)C ZINC000371211619 395026379 /nfs/dbraw/zinc/02/63/79/395026379.db2.gz BILNZWOCHRPLAZ-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000423752628 394975720 /nfs/dbraw/zinc/97/57/20/394975720.db2.gz AYANTNROBAXLRQ-FZKCQIBNSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000344140674 395050733 /nfs/dbraw/zinc/05/07/33/395050733.db2.gz WMWQNAQHZXKFNA-SLBVQIDZSA-N 2 1 266.429 2.121 20 0 CEADMP CC[C@H]1COCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000161928872 395067906 /nfs/dbraw/zinc/06/79/06/395067906.db2.gz PBRZHBHUCLOUGQ-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP CC[C@H]1COCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000161928872 395067910 /nfs/dbraw/zinc/06/79/10/395067910.db2.gz PBRZHBHUCLOUGQ-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@H+]1C ZINC000426781963 395079760 /nfs/dbraw/zinc/07/97/60/395079760.db2.gz FBOROGNWCPPNGC-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnc(C)nc2C)C1 ZINC000163249628 395082672 /nfs/dbraw/zinc/08/26/72/395082672.db2.gz WJXSWMSJFJYHOT-FZMZJTMJSA-N 2 1 262.401 2.086 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnc(C)nc2C)C1 ZINC000163249628 395082673 /nfs/dbraw/zinc/08/26/73/395082673.db2.gz WJXSWMSJFJYHOT-FZMZJTMJSA-N 2 1 262.401 2.086 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436405565 395114454 /nfs/dbraw/zinc/11/44/54/395114454.db2.gz BWDSMYZFYYVUIV-KSZLIROESA-N 2 1 288.435 2.054 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000436405565 395114455 /nfs/dbraw/zinc/11/44/55/395114455.db2.gz BWDSMYZFYYVUIV-KSZLIROESA-N 2 1 288.435 2.054 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc2c1OCCCO2 ZINC000346692986 395104495 /nfs/dbraw/zinc/10/44/95/395104495.db2.gz KESWJGBSOUSPFC-CHWSQXEVSA-N 2 1 276.380 2.017 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc2c1OCCCO2 ZINC000346692986 395104499 /nfs/dbraw/zinc/10/44/99/395104499.db2.gz KESWJGBSOUSPFC-CHWSQXEVSA-N 2 1 276.380 2.017 20 0 CEADMP CO[C@]1(C)CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000348232818 395139940 /nfs/dbraw/zinc/13/99/40/395139940.db2.gz QKWAYKKKHODRRD-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@]1(C)CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000348232818 395139941 /nfs/dbraw/zinc/13/99/41/395139941.db2.gz QKWAYKKKHODRRD-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@]1(C)CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000348232818 395139944 /nfs/dbraw/zinc/13/99/44/395139944.db2.gz QKWAYKKKHODRRD-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)OC1CCCCCC1 ZINC000428034745 395134394 /nfs/dbraw/zinc/13/43/94/395134394.db2.gz OLFRHPNCXVMPRW-ZBFHGGJFSA-N 2 1 266.429 2.410 20 0 CEADMP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)OC1CCCCCC1 ZINC000428034745 395134399 /nfs/dbraw/zinc/13/43/99/395134399.db2.gz OLFRHPNCXVMPRW-ZBFHGGJFSA-N 2 1 266.429 2.410 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000379190168 395162231 /nfs/dbraw/zinc/16/22/31/395162231.db2.gz IKRLJFBKZRECQG-CWRNSKLLSA-N 2 1 262.397 2.291 20 0 CEADMP C[C@H](C[NH2+]Cc1cnc2ccc(Cl)cn12)C[NH+](C)C ZINC000291800052 395163369 /nfs/dbraw/zinc/16/33/69/395163369.db2.gz XDXLPHNZZTVTDO-LLVKDONJSA-N 2 1 280.803 2.275 20 0 CEADMP C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000430594631 395165545 /nfs/dbraw/zinc/16/55/45/395165545.db2.gz RXYWALPXKAZGQC-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291820164 395169103 /nfs/dbraw/zinc/16/91/03/395169103.db2.gz ZEDPJBXEIYGBSJ-CQSZACIVSA-N 2 1 286.423 2.468 20 0 CEADMP Cc1nnsc1CNCCC[N@H+](C)Cc1ccccc1 ZINC000381815953 395176407 /nfs/dbraw/zinc/17/64/07/395176407.db2.gz CKKNCEVZJXOZDM-UHFFFAOYSA-N 2 1 290.436 2.458 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000351540958 395227804 /nfs/dbraw/zinc/22/78/04/395227804.db2.gz WRZWSBMCQODVIT-BPUTZDHNSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351540958 395227809 /nfs/dbraw/zinc/22/78/09/395227809.db2.gz WRZWSBMCQODVIT-BPUTZDHNSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351540958 395227815 /nfs/dbraw/zinc/22/78/15/395227815.db2.gz WRZWSBMCQODVIT-BPUTZDHNSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351540958 395227818 /nfs/dbraw/zinc/22/78/18/395227818.db2.gz WRZWSBMCQODVIT-BPUTZDHNSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351540958 395227824 /nfs/dbraw/zinc/22/78/24/395227824.db2.gz WRZWSBMCQODVIT-BPUTZDHNSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398225766 395231522 /nfs/dbraw/zinc/23/15/22/395231522.db2.gz XUFIWFJEBHTLII-QBYUYEEZSA-N 2 1 275.440 2.222 20 0 CEADMP C[C@@H](CCCC[NH3+])NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000418717077 395236109 /nfs/dbraw/zinc/23/61/09/395236109.db2.gz ZEKUWCILJKEWHL-GJZGRUSLSA-N 2 1 298.475 2.020 20 0 CEADMP Cc1sccc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000293556391 395239329 /nfs/dbraw/zinc/23/93/29/395239329.db2.gz LTZQBRIPCOPRQM-UHFFFAOYSA-N 2 1 295.496 2.420 20 0 CEADMP C[C@H]1CCN(C[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000382763458 395183253 /nfs/dbraw/zinc/18/32/53/395183253.db2.gz OINJUNXAAPAKLQ-WMZOPIPTSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@H]1CCN(C[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000382763456 395183493 /nfs/dbraw/zinc/18/34/93/395183493.db2.gz OINJUNXAAPAKLQ-FUHWJXTLSA-N 2 1 287.451 2.192 20 0 CEADMP CCn1cncc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000418060400 395187565 /nfs/dbraw/zinc/18/75/65/395187565.db2.gz BNTOTSGZZIKAPH-OAHLLOKOSA-N 2 1 276.428 2.067 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@H]2CCOC2)CC1 ZINC000437591696 395188291 /nfs/dbraw/zinc/18/82/91/395188291.db2.gz JTTQODHMFRUWIE-AWEZNQCLSA-N 2 1 254.418 2.218 20 0 CEADMP CCCn1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cn1 ZINC000397298969 395221577 /nfs/dbraw/zinc/22/15/77/395221577.db2.gz CMMHDRQSILLDBF-NFAWXSAZSA-N 2 1 264.417 2.098 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1(C)C ZINC000185204685 395278123 /nfs/dbraw/zinc/27/81/23/395278123.db2.gz PVNCACOHBJBSRJ-CVEARBPZSA-N 2 1 298.471 2.015 20 0 CEADMP Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420323779 395325139 /nfs/dbraw/zinc/32/51/39/395325139.db2.gz UWAUKVZUWVLFGJ-HUUCEWRRSA-N 2 1 276.428 2.173 20 0 CEADMP Clc1ccc([C@@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420322908 395325490 /nfs/dbraw/zinc/32/54/90/395325490.db2.gz SSEHTPUCHIPOOY-INIZCTEOSA-N 2 1 293.842 2.382 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000186738712 395294178 /nfs/dbraw/zinc/29/41/78/395294178.db2.gz HKXRTTIKYXPNNO-ARFHVFGLSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@](C[NH3+])([NH2+]Cc1cnc2ccccc2c1)C1CC1 ZINC000420292595 395299633 /nfs/dbraw/zinc/29/96/33/395299633.db2.gz PQGAOTMWBAUOBV-INIZCTEOSA-N 2 1 255.365 2.452 20 0 CEADMP CC(C)c1cc(N2CC[C@H](C)[C@H](C[NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420291564 395299696 /nfs/dbraw/zinc/29/96/96/395299696.db2.gz XGKRHCBKVVQPLK-QWHCGFSZSA-N 2 1 291.443 2.087 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCSC2)[C@H]2CCC[C@H]21 ZINC000353604101 395303413 /nfs/dbraw/zinc/30/34/13/395303413.db2.gz IFWWOXJFYYIZBE-RFQIPJPRSA-N 2 1 254.443 2.202 20 0 CEADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353670739 395306278 /nfs/dbraw/zinc/30/62/78/395306278.db2.gz AZAIIDZDSQGMBK-RRFJBIMHSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H](c2ccccc2)O1 ZINC000420301787 395307355 /nfs/dbraw/zinc/30/73/55/395307355.db2.gz JEMOJEQBIFWGKQ-HLLBOEOZSA-N 2 1 274.408 2.448 20 0 CEADMP C[C@H]([NH3+])C[N@@H+](C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000420303055 395307813 /nfs/dbraw/zinc/30/78/13/395307813.db2.gz MZMFQGHKOUNFHZ-SHWKFHJASA-N 2 1 254.418 2.393 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H](c2ccccc2)O1 ZINC000420301785 395308344 /nfs/dbraw/zinc/30/83/44/395308344.db2.gz JEMOJEQBIFWGKQ-BFYDXBDKSA-N 2 1 274.408 2.448 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000420306823 395311775 /nfs/dbraw/zinc/31/17/75/395311775.db2.gz AWMQQBUYFVNVQT-VHSXEESVSA-N 2 1 273.302 2.270 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000420306823 395311778 /nfs/dbraw/zinc/31/17/78/395311778.db2.gz AWMQQBUYFVNVQT-VHSXEESVSA-N 2 1 273.302 2.270 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1C ZINC000420314831 395318716 /nfs/dbraw/zinc/31/87/16/395318716.db2.gz KJCLGSKJMIVEID-QEJZJMRPSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1C ZINC000420314831 395318721 /nfs/dbraw/zinc/31/87/21/395318721.db2.gz KJCLGSKJMIVEID-QEJZJMRPSA-N 2 1 289.423 2.300 20 0 CEADMP c1ccc([C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420317094 395320071 /nfs/dbraw/zinc/32/00/71/395320071.db2.gz NBNLXWDSSNWKQG-HOCLYGCPSA-N 2 1 260.381 2.060 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000419234675 395255165 /nfs/dbraw/zinc/25/51/65/395255165.db2.gz IGBBQJOYWMTRBI-QBPKDAKJSA-N 2 1 298.471 2.231 20 0 CEADMP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000434688686 395323359 /nfs/dbraw/zinc/32/33/59/395323359.db2.gz ORUAFOOENJHQKP-OFQRWUPVSA-N 2 1 289.423 2.066 20 0 CEADMP Cc1nccn1C[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420321734 395323427 /nfs/dbraw/zinc/32/34/27/395323427.db2.gz RODFZXCXKVYCMR-HZPDHXFCSA-N 2 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420321734 395323431 /nfs/dbraw/zinc/32/34/31/395323431.db2.gz RODFZXCXKVYCMR-HZPDHXFCSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420321734 395323433 /nfs/dbraw/zinc/32/34/33/395323433.db2.gz RODFZXCXKVYCMR-HZPDHXFCSA-N 3 1 276.428 2.046 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)CO1 ZINC000401826776 395262159 /nfs/dbraw/zinc/26/21/59/395262159.db2.gz MGLYKWYITVYAOD-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)[C@H](C)[C@H]2C)CC1 ZINC000419359741 395264236 /nfs/dbraw/zinc/26/42/36/395264236.db2.gz RNPVNUGFRIWZSO-IXDOHACOSA-N 2 1 281.488 2.379 20 0 CEADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc2c(c1)OCO2 ZINC000420320463 395323720 /nfs/dbraw/zinc/32/37/20/395323720.db2.gz QGJGXIKGHHNPGB-ZDUSSCGKSA-N 2 1 276.380 2.237 20 0 CEADMP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1nccn1Cc1ccccc1 ZINC000420320278 395323800 /nfs/dbraw/zinc/32/38/00/395323800.db2.gz PYIZTZUDRVKAOB-INIZCTEOSA-N 2 1 298.434 2.363 20 0 CEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1nccn1Cc1ccccc1 ZINC000420320278 395323805 /nfs/dbraw/zinc/32/38/05/395323805.db2.gz PYIZTZUDRVKAOB-INIZCTEOSA-N 2 1 298.434 2.363 20 0 CEADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000352905186 395275525 /nfs/dbraw/zinc/27/55/25/395275525.db2.gz TWCCBKCHIWTZTD-FVQBIDKESA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000352905186 395275530 /nfs/dbraw/zinc/27/55/30/395275530.db2.gz TWCCBKCHIWTZTD-FVQBIDKESA-N 2 1 281.488 2.425 20 0 CEADMP CCOC(=O)C1([N@@H+](C)CC[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000420366908 395353898 /nfs/dbraw/zinc/35/38/98/395353898.db2.gz VEYLWBPHKSXZLC-AWEZNQCLSA-N 2 1 282.428 2.184 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c(C)s1 ZINC000420369216 395354992 /nfs/dbraw/zinc/35/49/92/395354992.db2.gz UTFWVFOUWLLJFP-ZDUSSCGKSA-N 2 1 296.436 2.321 20 0 CEADMP C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420371600 395357001 /nfs/dbraw/zinc/35/70/01/395357001.db2.gz KODMTNISEMYGAK-KEYYUXOJSA-N 2 1 274.408 2.310 20 0 CEADMP COc1ccc(OCC[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1 ZINC000420372660 395358407 /nfs/dbraw/zinc/35/84/07/395358407.db2.gz QIBDVAVPPVCRBW-WOSRLPQWSA-N 2 1 278.396 2.050 20 0 CEADMP CCOc1ccc(OCC[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000420372956 395359297 /nfs/dbraw/zinc/35/92/97/395359297.db2.gz YOUKVJXXXBFNKT-OAHLLOKOSA-N 2 1 280.412 2.427 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000420377556 395363547 /nfs/dbraw/zinc/36/35/47/395363547.db2.gz SMRQKIPWZGRAAK-HNNXBMFYSA-N 2 1 280.387 2.416 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000420377556 395363552 /nfs/dbraw/zinc/36/35/52/395363552.db2.gz SMRQKIPWZGRAAK-HNNXBMFYSA-N 2 1 280.387 2.416 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)CC(C)(C)C[NH3+])o1 ZINC000435369961 395365969 /nfs/dbraw/zinc/36/59/69/395365969.db2.gz HDCDZWYTEOAJRZ-UHFFFAOYSA-N 2 1 276.384 2.395 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000420392215 395367349 /nfs/dbraw/zinc/36/73/49/395367349.db2.gz UYNLLTYDVFRZIS-UHFFFAOYSA-N 2 1 283.803 2.210 20 0 CEADMP C[NH2+]CCC[N@@H+](Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000435886452 395394462 /nfs/dbraw/zinc/39/44/62/395394462.db2.gz XKICSJOFZXFFID-QGZVFWFLSA-N 2 1 292.423 2.286 20 0 CEADMP C[NH2+]CCC[N@H+](Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000435886452 395394467 /nfs/dbraw/zinc/39/44/67/395394467.db2.gz XKICSJOFZXFFID-QGZVFWFLSA-N 2 1 292.423 2.286 20 0 CEADMP CCc1ccc([C@H]2CNCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420324133 395328117 /nfs/dbraw/zinc/32/81/17/395328117.db2.gz ZGDLXSLHRWIDDG-SJLPKXTDSA-N 2 1 287.451 2.195 20 0 CEADMP CCc1ccc([C@H]2C[NH2+]CCN2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420324133 395328124 /nfs/dbraw/zinc/32/81/24/395328124.db2.gz ZGDLXSLHRWIDDG-SJLPKXTDSA-N 2 1 287.451 2.195 20 0 CEADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328500 395328951 /nfs/dbraw/zinc/32/89/51/395328951.db2.gz MQRLWWVQRYJOBG-RBSFLKMASA-N 2 1 259.397 2.464 20 0 CEADMP c1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)oc1C1CC1 ZINC000420338370 395334978 /nfs/dbraw/zinc/33/49/78/395334978.db2.gz XVYVVKIQCJREDS-UONOGXRCSA-N 2 1 275.396 2.374 20 0 CEADMP CC[N@H+](CCc1nccs1)CC[C@H]1CCC[NH2+]C1 ZINC000420353262 395341494 /nfs/dbraw/zinc/34/14/94/395341494.db2.gz BMMWIPYOUGZODP-CYBMUJFWSA-N 2 1 267.442 2.397 20 0 CEADMP COc1ccc(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420353998 395342988 /nfs/dbraw/zinc/34/29/88/395342988.db2.gz BDWYIOCDNSDTDG-QGZVFWFLSA-N 2 1 274.408 2.313 20 0 CEADMP COc1cccc([C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)c1 ZINC000420361207 395348024 /nfs/dbraw/zinc/34/80/24/395348024.db2.gz MXBDDSKVGYUZPY-WMLDXEAASA-N 2 1 290.407 2.068 20 0 CEADMP COc1cccc([C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)c1 ZINC000420361208 395348705 /nfs/dbraw/zinc/34/87/05/395348705.db2.gz MXBDDSKVGYUZPY-YOEHRIQHSA-N 2 1 290.407 2.068 20 0 CEADMP C(C[NH+]1CCCCC1)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000444596619 395438323 /nfs/dbraw/zinc/43/83/23/395438323.db2.gz MCHULVQOYBNVBC-QGZVFWFLSA-N 2 1 296.455 2.132 20 0 CEADMP CC[N@H+]1C[C@H](C)N(CCC[NH+]2CCCCC2)C[C@H]1C ZINC000444610753 395439672 /nfs/dbraw/zinc/43/96/72/395439672.db2.gz QVVITDIQEKBHKZ-CVEARBPZSA-N 2 1 267.461 2.277 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000566418238 395520833 /nfs/dbraw/zinc/52/08/33/395520833.db2.gz DEQDIGBNXMFFKH-INIZCTEOSA-N 2 1 273.380 2.018 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000566418238 395520836 /nfs/dbraw/zinc/52/08/36/395520836.db2.gz DEQDIGBNXMFFKH-INIZCTEOSA-N 2 1 273.380 2.018 20 0 CEADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449415128 395547120 /nfs/dbraw/zinc/54/71/20/395547120.db2.gz NHQNGPCUAAQMRT-FPCVCCKLSA-N 2 1 294.439 2.325 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOCC1CCC1 ZINC000565710409 395481490 /nfs/dbraw/zinc/48/14/90/395481490.db2.gz MXNPNYIRZOZFLB-WMLDXEAASA-N 2 1 276.424 2.351 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446080472 395484527 /nfs/dbraw/zinc/48/45/27/395484527.db2.gz MEMJZHZJMRVPQO-MELADBBJSA-N 2 1 265.401 2.469 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446080472 395484528 /nfs/dbraw/zinc/48/45/28/395484528.db2.gz MEMJZHZJMRVPQO-MELADBBJSA-N 2 1 265.401 2.469 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)Cc1cccc(F)c1 ZINC000573694628 395615922 /nfs/dbraw/zinc/61/59/22/395615922.db2.gz FZYJUZHHHVVGHJ-CZUORRHYSA-N 2 1 282.403 2.001 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)Cc1cccc(F)c1 ZINC000573694628 395615925 /nfs/dbraw/zinc/61/59/25/395615925.db2.gz FZYJUZHHHVVGHJ-CZUORRHYSA-N 2 1 282.403 2.001 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000573694628 395615926 /nfs/dbraw/zinc/61/59/26/395615926.db2.gz FZYJUZHHHVVGHJ-CZUORRHYSA-N 2 1 282.403 2.001 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000573694628 395615929 /nfs/dbraw/zinc/61/59/29/395615929.db2.gz FZYJUZHHHVVGHJ-CZUORRHYSA-N 2 1 282.403 2.001 20 0 CEADMP CC[N@@H+](CCCc1cncn1C)CCc1nccs1 ZINC000568104003 395548471 /nfs/dbraw/zinc/54/84/71/395548471.db2.gz VYEFAYQFRZPSBQ-UHFFFAOYSA-N 2 1 278.425 2.374 20 0 CEADMP CC[N@H+](CCCc1c[nH+]cn1C)CCc1nccs1 ZINC000568104003 395548472 /nfs/dbraw/zinc/54/84/72/395548472.db2.gz VYEFAYQFRZPSBQ-UHFFFAOYSA-N 2 1 278.425 2.374 20 0 CEADMP CC[N@@H+](CCCc1c[nH+]cn1C)CCc1nccs1 ZINC000568104003 395548475 /nfs/dbraw/zinc/54/84/75/395548475.db2.gz VYEFAYQFRZPSBQ-UHFFFAOYSA-N 2 1 278.425 2.374 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1ccc(OCC(F)F)cc1 ZINC000568393988 395557784 /nfs/dbraw/zinc/55/77/84/395557784.db2.gz ZLORSGGKOSMMSP-UHFFFAOYSA-N 2 1 258.312 2.111 20 0 CEADMP C[C@H](O)C[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000568407670 395558244 /nfs/dbraw/zinc/55/82/44/395558244.db2.gz KQVRLSVZPDUUOB-HNNXBMFYSA-N 2 1 287.407 2.236 20 0 CEADMP C[C@H](O)C[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000568407670 395558246 /nfs/dbraw/zinc/55/82/46/395558246.db2.gz KQVRLSVZPDUUOB-HNNXBMFYSA-N 2 1 287.407 2.236 20 0 CEADMP CCn1cc(C[N@H+](C)C[C@H](C[NH3+])c2ccc(F)cc2)cn1 ZINC000568633385 395563790 /nfs/dbraw/zinc/56/37/90/395563790.db2.gz JHEGOYHHSCIWEE-HNNXBMFYSA-N 2 1 290.386 2.216 20 0 CEADMP CCn1cc(C[N@@H+](C)C[C@H](C[NH3+])c2ccc(F)cc2)cn1 ZINC000568633385 395563791 /nfs/dbraw/zinc/56/37/91/395563791.db2.gz JHEGOYHHSCIWEE-HNNXBMFYSA-N 2 1 290.386 2.216 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000568647348 395564572 /nfs/dbraw/zinc/56/45/72/395564572.db2.gz QVDLUEVYTUIKCM-HUUCEWRRSA-N 3 1 255.450 2.355 20 0 CEADMP CC1CCC(O)(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000568754669 395569948 /nfs/dbraw/zinc/56/99/48/395569948.db2.gz NPCLFKHKUSNKNU-HWOWSKLDSA-N 2 1 268.445 2.249 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000574754654 395636533 /nfs/dbraw/zinc/63/65/33/395636533.db2.gz GXNJHNJVGPOZGH-ZNMIVQPWSA-N 2 1 298.475 2.066 20 0 CEADMP COCC1(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000647320251 395702224 /nfs/dbraw/zinc/70/22/24/395702224.db2.gz VROLUEAYHHDXOR-HZSPNIEDSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccnn1C ZINC000647344642 395707144 /nfs/dbraw/zinc/70/71/44/395707144.db2.gz VZZJVGRQAVGTNU-OIISXLGYSA-N 2 1 298.434 2.416 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccnn1C ZINC000647344642 395707146 /nfs/dbraw/zinc/70/71/46/395707146.db2.gz VZZJVGRQAVGTNU-OIISXLGYSA-N 2 1 298.434 2.416 20 0 CEADMP Cc1cccc2nc(CC[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cn21 ZINC000647364692 395709550 /nfs/dbraw/zinc/70/95/50/395709550.db2.gz JGIBFVXDTMXXIB-CABCVRRESA-N 2 1 286.423 2.258 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000647509954 395724378 /nfs/dbraw/zinc/72/43/78/395724378.db2.gz KHKAXTAMIWJWAR-BLLLJJGKSA-N 2 1 255.365 2.404 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccnc2)CC[C@@H]1[NH3+] ZINC000647498395 395722084 /nfs/dbraw/zinc/72/20/84/395722084.db2.gz GLOQGGMPQMNXPK-DOMZBBRYSA-N 2 1 285.395 2.031 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)nc2)CC[C@@H]1[NH3+] ZINC000647498728 395722410 /nfs/dbraw/zinc/72/24/10/395722410.db2.gz ORODZBBHPSGHKB-CVEARBPZSA-N 2 1 288.439 2.241 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)CC[C@@H]1[NH3+] ZINC000647498728 395722412 /nfs/dbraw/zinc/72/24/12/395722412.db2.gz ORODZBBHPSGHKB-CVEARBPZSA-N 2 1 288.439 2.241 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)CC[C@H]1[NH3+] ZINC000647499114 395722639 /nfs/dbraw/zinc/72/26/39/395722639.db2.gz ZUFCMMMEDIFBIX-IUODEOHRSA-N 2 1 285.391 2.500 20 0 CEADMP CCn1ccnc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543529 395731366 /nfs/dbraw/zinc/73/13/66/395731366.db2.gz OVOGCBBYUVZXLG-CABCVRRESA-N 2 1 276.428 2.115 20 0 CEADMP Cn1ncc(Cl)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544009 395731595 /nfs/dbraw/zinc/73/15/95/395731595.db2.gz VNLCPQZNVWPTIZ-CHWSQXEVSA-N 2 1 296.846 2.285 20 0 CEADMP CC(C)C[C@H](N)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544540 395731676 /nfs/dbraw/zinc/73/16/76/395731676.db2.gz PTZLYLGGBSLGTG-XHSDSOJGSA-N 2 1 267.461 2.071 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544540 395731677 /nfs/dbraw/zinc/73/16/77/395731677.db2.gz PTZLYLGGBSLGTG-XHSDSOJGSA-N 2 1 267.461 2.071 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000647550556 395733801 /nfs/dbraw/zinc/73/38/01/395733801.db2.gz XWFAASGOCOPCCZ-NVXWUHKLSA-N 3 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](c3cccnc3)C2)CC[NH2+]1 ZINC000647552732 395734418 /nfs/dbraw/zinc/73/44/18/395734418.db2.gz UICJERJUFPDXSZ-FMKPAKJESA-N 2 1 259.397 2.259 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@H]3CCC[C@@H]3C[NH3+])c2c1C ZINC000647704916 395746903 /nfs/dbraw/zinc/74/69/03/395746903.db2.gz PNAWDLJNJCJKTM-MNOVXSKESA-N 2 1 259.357 2.114 20 0 CEADMP [NH3+][C@H]1CCC[C@H](Nc2[nH+]ccc3cc(F)ccc32)C1 ZINC000647707398 395747542 /nfs/dbraw/zinc/74/75/42/395747542.db2.gz KDPODHRACWGDES-STQMWFEESA-N 2 1 259.328 2.478 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647786058 395753895 /nfs/dbraw/zinc/75/38/95/395753895.db2.gz HGYRKIHDEAWBQV-QBPKDAKJSA-N 3 1 279.472 2.229 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647786058 395753896 /nfs/dbraw/zinc/75/38/96/395753896.db2.gz HGYRKIHDEAWBQV-QBPKDAKJSA-N 3 1 279.472 2.229 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647797756 395756670 /nfs/dbraw/zinc/75/66/70/395756670.db2.gz BFXNTIDERGQGIW-TVFCKZIOSA-N 3 1 293.499 2.475 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798169 395756982 /nfs/dbraw/zinc/75/69/82/395756982.db2.gz MTNRTAAGVGQQPP-QKPAOTATSA-N 3 1 267.461 2.085 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798169 395756983 /nfs/dbraw/zinc/75/69/83/395756983.db2.gz MTNRTAAGVGQQPP-QKPAOTATSA-N 3 1 267.461 2.085 20 0 CEADMP c1cc2c(cc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1)OCCO2 ZINC000647872823 395766330 /nfs/dbraw/zinc/76/63/30/395766330.db2.gz ZPCXZKPJIWFOBG-HIFRSBDPSA-N 2 1 288.391 2.204 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000647872263 395766438 /nfs/dbraw/zinc/76/64/38/395766438.db2.gz PSGXBIHHURJYFJ-CABCVRRESA-N 2 1 290.407 2.148 20 0 CEADMP C([C@H]1CCCO1)[N@H+](C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000647889474 395769649 /nfs/dbraw/zinc/76/96/49/395769649.db2.gz USLMEBLIARDCGS-DZGCQCFKSA-N 2 1 252.402 2.020 20 0 CEADMP c1cc(CCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccn1 ZINC000647903457 395770771 /nfs/dbraw/zinc/77/07/71/395770771.db2.gz JMXMAXBSQUKCIL-DLBZAZTESA-N 2 1 273.424 2.478 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904112 395770913 /nfs/dbraw/zinc/77/09/13/395770913.db2.gz WYIBANSHLOEGOO-SJORKVTESA-N 3 1 279.472 2.230 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000647934532 395778666 /nfs/dbraw/zinc/77/86/66/395778666.db2.gz ICNZQGIHFNNYEM-FMKPAKJESA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000647934532 395778669 /nfs/dbraw/zinc/77/86/69/395778669.db2.gz ICNZQGIHFNNYEM-FMKPAKJESA-N 2 1 295.471 2.225 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC(C)(C)CCC[NH3+] ZINC000648141837 395845032 /nfs/dbraw/zinc/84/50/32/395845032.db2.gz BHQJIXHIZAUETM-LBPRGKRZSA-N 2 1 280.416 2.030 20 0 CEADMP c1ccc([C@H]2CNCC[N@H+]2CCCC2CC[NH2+]CC2)cc1 ZINC000647992547 395797344 /nfs/dbraw/zinc/79/73/44/395797344.db2.gz NVBBQEMJDBYMRC-GOSISDBHSA-N 2 1 287.451 2.413 20 0 CEADMP c1ccc([C@H]2CNCC[N@@H+]2CCCC2CC[NH2+]CC2)cc1 ZINC000647992547 395797346 /nfs/dbraw/zinc/79/73/46/395797346.db2.gz NVBBQEMJDBYMRC-GOSISDBHSA-N 2 1 287.451 2.413 20 0 CEADMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647990246 395797718 /nfs/dbraw/zinc/79/77/18/395797718.db2.gz LEPOIHUVDOJBCK-ZDUSSCGKSA-N 2 1 283.460 2.001 20 0 CEADMP CCCN(C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[C@H]1CC[N@@H+](C)C1 ZINC000649001515 396040127 /nfs/dbraw/zinc/04/01/27/396040127.db2.gz NWRZHNUCBRWLLS-FZKCQIBNSA-N 2 1 295.471 2.190 20 0 CEADMP CCCN(C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[C@H]1CC[NH+](C)C1 ZINC000649001515 396040131 /nfs/dbraw/zinc/04/01/31/396040131.db2.gz NWRZHNUCBRWLLS-FZKCQIBNSA-N 2 1 295.471 2.190 20 0 CEADMP CCCN(C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[C@H]1CC[NH+](C)C1 ZINC000649001515 396040132 /nfs/dbraw/zinc/04/01/32/396040132.db2.gz NWRZHNUCBRWLLS-FZKCQIBNSA-N 2 1 295.471 2.190 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649312698 396118836 /nfs/dbraw/zinc/11/88/36/396118836.db2.gz KWZLSVULNUQLAP-CQSZACIVSA-N 2 1 297.830 2.188 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000649412169 396147162 /nfs/dbraw/zinc/14/71/62/396147162.db2.gz QDDMIYAABIZWKJ-IKGGRYGDSA-N 2 1 279.472 2.182 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC(C)([NH3+])CC2)c1C ZINC000649415984 396147931 /nfs/dbraw/zinc/14/79/31/396147931.db2.gz FYYSLUJDFMOCSU-UHFFFAOYSA-N 2 1 263.385 2.020 20 0 CEADMP CC[C@@H]1C[N@@H+](CCc2nc3ccccc3n2C)CC[C@@H]1[NH3+] ZINC000649416467 396149316 /nfs/dbraw/zinc/14/93/16/396149316.db2.gz BFHBOGRXEAQEMS-KGLIPLIRSA-N 2 1 286.423 2.175 20 0 CEADMP C[C@H](c1ccncc1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000649418493 396149467 /nfs/dbraw/zinc/14/94/67/396149467.db2.gz FRSJKBDLLAZCFL-FVQBIDKESA-N 2 1 259.397 2.464 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@@H]1CCC[NH+]1C ZINC000649537139 396181529 /nfs/dbraw/zinc/18/15/29/396181529.db2.gz ULIHDAGVFNCFOK-WMZOPIPTSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1C[C@@H]1CCC[N@@H+]1C ZINC000649537139 396181532 /nfs/dbraw/zinc/18/15/32/396181532.db2.gz ULIHDAGVFNCFOK-WMZOPIPTSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1C[C@@H]1CCC[N@H+]1C ZINC000649537139 396181534 /nfs/dbraw/zinc/18/15/34/396181534.db2.gz ULIHDAGVFNCFOK-WMZOPIPTSA-N 2 1 287.451 2.287 20 0 CEADMP CC[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)[C@H](C)CO1 ZINC000649734761 396245460 /nfs/dbraw/zinc/24/54/60/396245460.db2.gz AGHWBMXXTXXMPI-HIFRSBDPSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)[C@H](C)CO1 ZINC000649734761 396245462 /nfs/dbraw/zinc/24/54/62/396245462.db2.gz AGHWBMXXTXXMPI-HIFRSBDPSA-N 2 1 265.401 2.471 20 0 CEADMP CC(C)C[C@@H](C)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106897 396294830 /nfs/dbraw/zinc/29/48/30/396294830.db2.gz YDGBZHZUBONPQZ-OAHLLOKOSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH2+]CCCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000646625022 396363823 /nfs/dbraw/zinc/36/38/23/396363823.db2.gz CSSRJLNDYWXPOQ-CQSZACIVSA-N 2 1 297.830 2.059 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000646916380 396391464 /nfs/dbraw/zinc/39/14/64/396391464.db2.gz GWUBOZGFDXJKGP-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP COc1ncncc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000647171269 396427397 /nfs/dbraw/zinc/42/73/97/396427397.db2.gz DPMHQKNUOZSECR-CQSZACIVSA-N 2 1 292.427 2.087 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000049313078 400228303 /nfs/dbraw/zinc/22/83/03/400228303.db2.gz FXTCVWNQVZHJES-QWHCGFSZSA-N 2 1 294.361 2.419 20 0 CEADMP Cc1csc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)n1 ZINC000386375131 400526916 /nfs/dbraw/zinc/52/69/16/400526916.db2.gz BZARSFGQMJMECM-RYUDHWBXSA-N 2 1 253.415 2.114 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC(CC[NH3+])CC3)c2c1C ZINC000650307789 400866296 /nfs/dbraw/zinc/86/62/96/400866296.db2.gz PFHABYQODXUEDJ-UHFFFAOYSA-N 2 1 273.384 2.140 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709156 401000224 /nfs/dbraw/zinc/00/02/24/401000224.db2.gz HFGRRLNCWXTCSI-GUYCJALGSA-N 2 1 290.455 2.106 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cnc(N(C)C)s2)[C@H]1CC[NH3+] ZINC000650711627 401001632 /nfs/dbraw/zinc/00/16/32/401001632.db2.gz ZSPHVZVLDRUZBO-YPMHNXCESA-N 2 1 282.457 2.158 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1csc(C)n1 ZINC000650718618 401008023 /nfs/dbraw/zinc/00/80/23/401008023.db2.gz SDKNZIBJQITCJI-UHFFFAOYSA-N 2 1 261.394 2.461 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(O)c2)C1 ZINC000650721903 401011531 /nfs/dbraw/zinc/01/15/31/401011531.db2.gz FOTUTEUQWWZRQF-HYVNUMGLSA-N 2 1 290.407 2.253 20 0 CEADMP Cc1cccnc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650722836 401012009 /nfs/dbraw/zinc/01/20/09/401012009.db2.gz CCDPFSUINRYSCJ-DJIMGWMZSA-N 2 1 289.423 2.251 20 0 CEADMP CO[C@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@H](OC)C2)C1 ZINC000172654654 286041629 /nfs/dbraw/zinc/04/16/29/286041629.db2.gz CQCSHFSULFEQRO-IRXDYDNUSA-N 2 1 298.471 2.378 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000360034276 155199512 /nfs/dbraw/zinc/19/95/12/155199512.db2.gz BSBGQAKAHOULRS-WCXIOVBPSA-N 2 1 296.455 2.035 20 0 CEADMP CCCn1cc(C[NH2+]CCC[N@H+](C)CC(C)C)cn1 ZINC000651865936 401405869 /nfs/dbraw/zinc/40/58/69/401405869.db2.gz NMKYMYNNVQUVIO-UHFFFAOYSA-N 2 1 266.433 2.361 20 0 CEADMP CCCn1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)cn1 ZINC000651865936 401405871 /nfs/dbraw/zinc/40/58/71/401405871.db2.gz NMKYMYNNVQUVIO-UHFFFAOYSA-N 2 1 266.433 2.361 20 0 CEADMP CC[N@@H+](CCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+])C1CCCCC1 ZINC000652220663 401465998 /nfs/dbraw/zinc/46/59/98/401465998.db2.gz GNOJZAMONIKZPR-KGLIPLIRSA-N 2 1 298.475 2.066 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000652222853 401467062 /nfs/dbraw/zinc/46/70/62/401467062.db2.gz ZHPUOTGLCKHZLU-GJZGRUSLSA-N 2 1 255.450 2.037 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000652222853 401467066 /nfs/dbraw/zinc/46/70/66/401467066.db2.gz ZHPUOTGLCKHZLU-GJZGRUSLSA-N 2 1 255.450 2.037 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000652222853 401467069 /nfs/dbraw/zinc/46/70/69/401467069.db2.gz ZHPUOTGLCKHZLU-GJZGRUSLSA-N 2 1 255.450 2.037 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000652336988 401490047 /nfs/dbraw/zinc/49/00/47/401490047.db2.gz ZEOIKRSZTYQYPY-ZDUSSCGKSA-N 2 1 290.329 2.108 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000652336988 401490050 /nfs/dbraw/zinc/49/00/50/401490050.db2.gz ZEOIKRSZTYQYPY-ZDUSSCGKSA-N 2 1 290.329 2.108 20 0 CEADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348519 401491797 /nfs/dbraw/zinc/49/17/97/401491797.db2.gz HGRPQHWMVYDDGE-WBTNSWJXSA-N 2 1 289.423 2.361 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCc2ccc(F)cc21 ZINC000652363850 401494797 /nfs/dbraw/zinc/49/47/97/401494797.db2.gz PPAURPQLLFNYBO-OLZOCXBDSA-N 2 1 262.372 2.397 20 0 CEADMP CC(C)COCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363342 401495051 /nfs/dbraw/zinc/49/50/51/401495051.db2.gz BOZYJYYBNDIVIP-XHSDSOJGSA-N 2 1 284.444 2.020 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000360093879 155216409 /nfs/dbraw/zinc/21/64/09/155216409.db2.gz WFEWVHCTVCCWJC-QXSJWSMHSA-N 2 1 298.496 2.361 20 0 CEADMP CCCC[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000360223736 155247438 /nfs/dbraw/zinc/24/74/38/155247438.db2.gz AQIKVBCVCMYUMW-GASCZTMLSA-N 2 1 295.471 2.240 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCCC(F)(F)F)CC1 ZINC000360246257 155251644 /nfs/dbraw/zinc/25/16/44/155251644.db2.gz UICYIWFFGRDIBM-UHFFFAOYSA-N 2 1 268.323 2.029 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1(C)C ZINC000247170961 286172659 /nfs/dbraw/zinc/17/26/59/286172659.db2.gz SNVIFBMYIJZYKX-PWNZVWSESA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1(C)C ZINC000247170961 286172661 /nfs/dbraw/zinc/17/26/61/286172661.db2.gz SNVIFBMYIJZYKX-PWNZVWSESA-N 2 1 254.418 2.262 20 0 CEADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000360335022 155274124 /nfs/dbraw/zinc/27/41/24/155274124.db2.gz FPNRRCREPBHYML-INMHGKMJSA-N 2 1 287.451 2.367 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000307842550 289276083 /nfs/dbraw/zinc/27/60/83/289276083.db2.gz FIZFPKKVEQWION-UONOGXRCSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000307842550 289276085 /nfs/dbraw/zinc/27/60/85/289276085.db2.gz FIZFPKKVEQWION-UONOGXRCSA-N 2 1 256.434 2.057 20 0 CEADMP CCN(C)c1ccc(C[NH2+]CCC[NH+](CC)CC)cn1 ZINC000190666480 153136312 /nfs/dbraw/zinc/13/63/12/153136312.db2.gz YYZWDAQFMJTBEU-UHFFFAOYSA-N 2 1 278.444 2.359 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cn1 ZINC000190793854 153144230 /nfs/dbraw/zinc/14/42/30/153144230.db2.gz CHNRZUFBFPHFOB-OAHLLOKOSA-N 2 1 290.455 2.359 20 0 CEADMP CC[NH+](CC)CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000191809044 153187972 /nfs/dbraw/zinc/18/79/72/153187972.db2.gz VTLWAZZZGDVPIT-HZPDHXFCSA-N 2 1 267.461 2.134 20 0 CEADMP Cc1c[nH+]ccc1N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000191979481 153200111 /nfs/dbraw/zinc/20/01/11/153200111.db2.gz IVYNRVYZDSMVSF-CQSZACIVSA-N 2 1 275.396 2.080 20 0 CEADMP C[C@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000192601744 153212079 /nfs/dbraw/zinc/21/20/79/153212079.db2.gz PJJFJOCRVWMWNF-IMJJTQAJSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000192601744 153212081 /nfs/dbraw/zinc/21/20/81/153212081.db2.gz PJJFJOCRVWMWNF-IMJJTQAJSA-N 2 1 266.429 2.266 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)OC)[C@@H](C)C1 ZINC000360835668 155383448 /nfs/dbraw/zinc/38/34/48/155383448.db2.gz LDGVJMUNUKXJHK-XHSDSOJGSA-N 2 1 286.460 2.138 20 0 CEADMP COc1cccc(CCC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193598355 153237152 /nfs/dbraw/zinc/23/71/52/153237152.db2.gz CLOKSMISJFJAAZ-IYBDPMFKSA-N 2 1 274.408 2.121 20 0 CEADMP COc1cccc(CCC[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193598355 153237157 /nfs/dbraw/zinc/23/71/57/153237157.db2.gz CLOKSMISJFJAAZ-IYBDPMFKSA-N 2 1 274.408 2.121 20 0 CEADMP COc1cccc(CCC[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193598355 153237161 /nfs/dbraw/zinc/23/71/61/153237161.db2.gz CLOKSMISJFJAAZ-IYBDPMFKSA-N 2 1 274.408 2.121 20 0 CEADMP CCCn1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cn1 ZINC000220326226 153307731 /nfs/dbraw/zinc/30/77/31/153307731.db2.gz YVTYUBGTWQTTNP-AWEZNQCLSA-N 2 1 252.406 2.098 20 0 CEADMP CCCn1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cn1 ZINC000220326226 153307737 /nfs/dbraw/zinc/30/77/37/153307737.db2.gz YVTYUBGTWQTTNP-AWEZNQCLSA-N 2 1 252.406 2.098 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000336409652 154252584 /nfs/dbraw/zinc/25/25/84/154252584.db2.gz GJRPJZPTVNPWNG-OCCSQVGLSA-N 2 1 285.391 2.500 20 0 CEADMP CC[N@@H+](CC(=O)N(CC[NH+](C)C)C1CCCCC1)C1CC1 ZINC000349323649 154314380 /nfs/dbraw/zinc/31/43/80/154314380.db2.gz FOJOJDUQLZVFQM-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)c1noc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000357074599 154372389 /nfs/dbraw/zinc/37/23/89/154372389.db2.gz IHFSTIUVFIYUBC-ZDUSSCGKSA-N 2 1 278.400 2.015 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000359455463 155018937 /nfs/dbraw/zinc/01/89/37/155018937.db2.gz JGJOQXDMUKYSJK-GASCZTMLSA-N 2 1 290.407 2.135 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000359455463 155018941 /nfs/dbraw/zinc/01/89/41/155018941.db2.gz JGJOQXDMUKYSJK-GASCZTMLSA-N 2 1 290.407 2.135 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000359625599 155088809 /nfs/dbraw/zinc/08/88/09/155088809.db2.gz NNHUCTKRFJSYCS-INIZCTEOSA-N 2 1 291.370 2.434 20 0 CEADMP CC[N@@H+]1C[C@H](N[C@@H](C[NH+](C)C)c2ccccc2)[C@@H](C)C1 ZINC000359799795 155130137 /nfs/dbraw/zinc/13/01/37/155130137.db2.gz NHGVEHNJUGNMLH-XIRDDKMYSA-N 2 1 275.440 2.219 20 0 CEADMP Cc1cccc(NC2CC[NH+](CCn3cccn3)CC2)[nH+]1 ZINC000363245168 156012924 /nfs/dbraw/zinc/01/29/24/156012924.db2.gz TVAGOUFHYDWDPX-UHFFFAOYSA-N 2 1 285.395 2.163 20 0 CEADMP CC(C)[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000366941078 156104246 /nfs/dbraw/zinc/10/42/46/156104246.db2.gz ORDOSNZHUBGHQP-JKSUJKDBSA-N 2 1 268.445 2.201 20 0 CEADMP COC(=O)[C@@H](C)C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000367021234 156117854 /nfs/dbraw/zinc/11/78/54/156117854.db2.gz LTFNQSMAWKHYSW-LBPRGKRZSA-N 2 1 291.395 2.075 20 0 CEADMP Cc1nc(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cs1 ZINC000367303858 156163892 /nfs/dbraw/zinc/16/38/92/156163892.db2.gz YVDKXWROKPVEAU-VNQPRFMTSA-N 2 1 291.464 2.410 20 0 CEADMP Cc1nc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cs1 ZINC000367303858 156163896 /nfs/dbraw/zinc/16/38/96/156163896.db2.gz YVDKXWROKPVEAU-VNQPRFMTSA-N 2 1 291.464 2.410 20 0 CEADMP Cc1nc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cs1 ZINC000367303858 156163900 /nfs/dbraw/zinc/16/39/00/156163900.db2.gz YVDKXWROKPVEAU-VNQPRFMTSA-N 2 1 291.464 2.410 20 0 CEADMP Cc1nc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cs1 ZINC000367303858 156163903 /nfs/dbraw/zinc/16/39/03/156163903.db2.gz YVDKXWROKPVEAU-VNQPRFMTSA-N 2 1 291.464 2.410 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccsc2)[C@@H]2CCC[C@H]21 ZINC000367611628 156214408 /nfs/dbraw/zinc/21/44/08/156214408.db2.gz CLLDDURPGXFUMS-JONQDZQNSA-N 2 1 294.464 2.418 20 0 CEADMP COCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374880744 157024720 /nfs/dbraw/zinc/02/47/20/157024720.db2.gz MPNCSKHESLCRLU-GOEBONIOSA-N 2 1 262.397 2.133 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000375544524 157108560 /nfs/dbraw/zinc/10/85/60/157108560.db2.gz DZLDHHAXOVWDJO-MRXNPFEDSA-N 2 1 277.412 2.473 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173616574 165079295 /nfs/dbraw/zinc/07/92/95/165079295.db2.gz OKRZKIIOBVRHFY-ZDUSSCGKSA-N 2 1 283.460 2.142 20 0 CEADMP COC[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000173593856 165079367 /nfs/dbraw/zinc/07/93/67/165079367.db2.gz DXABLXKDXJEUMH-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)CCOCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177056890 165187341 /nfs/dbraw/zinc/18/73/41/165187341.db2.gz YEMGVLUNWCISCC-GJZGRUSLSA-N 2 1 256.434 2.464 20 0 CEADMP CC(C)CCOCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177056890 165187344 /nfs/dbraw/zinc/18/73/44/165187344.db2.gz YEMGVLUNWCISCC-GJZGRUSLSA-N 2 1 256.434 2.464 20 0 CEADMP CC(C)CCOCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177056890 165187346 /nfs/dbraw/zinc/18/73/46/165187346.db2.gz YEMGVLUNWCISCC-GJZGRUSLSA-N 2 1 256.434 2.464 20 0 CEADMP CC(C)CCOCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177056890 165187348 /nfs/dbraw/zinc/18/73/48/165187348.db2.gz YEMGVLUNWCISCC-GJZGRUSLSA-N 2 1 256.434 2.464 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000178750267 165256032 /nfs/dbraw/zinc/25/60/32/165256032.db2.gz NKGBZWWCFVZBEW-DZGCQCFKSA-N 2 1 278.444 2.500 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000178750267 165256035 /nfs/dbraw/zinc/25/60/35/165256035.db2.gz NKGBZWWCFVZBEW-DZGCQCFKSA-N 2 1 278.444 2.500 20 0 CEADMP Fc1ccc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)cc1F ZINC000178971734 165263334 /nfs/dbraw/zinc/26/33/34/165263334.db2.gz CRTUJELWVUNWMP-INIZCTEOSA-N 2 1 296.361 2.338 20 0 CEADMP Fc1ccc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1F ZINC000178971734 165263337 /nfs/dbraw/zinc/26/33/37/165263337.db2.gz CRTUJELWVUNWMP-INIZCTEOSA-N 2 1 296.361 2.338 20 0 CEADMP C(C1CCCCC1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178978577 165267102 /nfs/dbraw/zinc/26/71/02/165267102.db2.gz HFUUJCWEJGBWCK-UHFFFAOYSA-N 2 1 279.472 2.184 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc[nH]c2)CC1 ZINC000179528697 165283633 /nfs/dbraw/zinc/28/36/33/165283633.db2.gz NVTPNGDRKIOMAR-UHFFFAOYSA-N 2 1 258.369 2.203 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CCOC1 ZINC000180739989 165321819 /nfs/dbraw/zinc/32/18/19/165321819.db2.gz GGGVRNKZAJRMII-JKSUJKDBSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](O)Cc1ccccc1 ZINC000181551432 165349465 /nfs/dbraw/zinc/34/94/65/165349465.db2.gz BMSBAXUWGUOEEY-XJNFMUPTSA-N 2 1 276.424 2.051 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](O)Cc1ccccc1 ZINC000181551432 165349467 /nfs/dbraw/zinc/34/94/67/165349467.db2.gz BMSBAXUWGUOEEY-XJNFMUPTSA-N 2 1 276.424 2.051 20 0 CEADMP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261778396 287150423 /nfs/dbraw/zinc/15/04/23/287150423.db2.gz PFHUKFMULREIRJ-UONOGXRCSA-N 2 1 293.842 2.381 20 0 CEADMP Cn1nccc1C1=CC[N@H+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000285646462 196354720 /nfs/dbraw/zinc/35/47/20/196354720.db2.gz OSTTZGVABPTHCD-MRXNPFEDSA-N 2 1 288.439 2.384 20 0 CEADMP Cn1nccc1C1=CC[N@@H+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000285646462 196354721 /nfs/dbraw/zinc/35/47/21/196354721.db2.gz OSTTZGVABPTHCD-MRXNPFEDSA-N 2 1 288.439 2.384 20 0 CEADMP Cn1nccc1C1=CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000285646462 196354723 /nfs/dbraw/zinc/35/47/23/196354723.db2.gz OSTTZGVABPTHCD-MRXNPFEDSA-N 2 1 288.439 2.384 20 0 CEADMP Cn1nccc1C1=CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000285646462 196354724 /nfs/dbraw/zinc/35/47/24/196354724.db2.gz OSTTZGVABPTHCD-MRXNPFEDSA-N 2 1 288.439 2.384 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(C)c2C)CC1 ZINC000037167471 173001154 /nfs/dbraw/zinc/00/11/54/173001154.db2.gz SVMBTUHABMOTPM-LBPRGKRZSA-N 2 1 264.417 2.254 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)CCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746497 174391536 /nfs/dbraw/zinc/39/15/36/174391536.db2.gz FZQQRJXNKMYKDM-XYPWUTKMSA-N 2 1 272.392 2.336 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000401043115 414750215 /nfs/dbraw/zinc/75/02/15/414750215.db2.gz UTNBYKJUGMEPMH-BZUAXINKSA-N 3 1 279.472 2.229 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000652610726 414761910 /nfs/dbraw/zinc/76/19/10/414761910.db2.gz JQNSPGQFYNERBB-UHFFFAOYSA-N 2 1 292.427 2.245 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2OC)CC[C@@H]1[NH3+] ZINC000122317211 414789184 /nfs/dbraw/zinc/78/91/84/414789184.db2.gz AMVFWVHQFPBHQY-DOMZBBRYSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cc(OC)ccc2OC)CC[C@@H]1[NH3+] ZINC000122317211 414789187 /nfs/dbraw/zinc/78/91/87/414789187.db2.gz AMVFWVHQFPBHQY-DOMZBBRYSA-N 2 1 278.396 2.263 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH2+]3)c2C1 ZINC000070840837 414771404 /nfs/dbraw/zinc/77/14/04/414771404.db2.gz PKQMZANDCPHGRK-OAHLLOKOSA-N 2 1 273.380 2.103 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH2+]3)c2C1 ZINC000070840837 414771409 /nfs/dbraw/zinc/77/14/09/414771409.db2.gz PKQMZANDCPHGRK-OAHLLOKOSA-N 2 1 273.380 2.103 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(C(C)C)CC1 ZINC000660326751 414774174 /nfs/dbraw/zinc/77/41/74/414774174.db2.gz ARBJXMBSHDXRMX-HNNXBMFYSA-N 2 1 270.461 2.446 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000652756327 414782152 /nfs/dbraw/zinc/78/21/52/414782152.db2.gz BDESMWMIKUOUTL-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000652756327 414782155 /nfs/dbraw/zinc/78/21/55/414782155.db2.gz BDESMWMIKUOUTL-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000652756327 414782158 /nfs/dbraw/zinc/78/21/58/414782158.db2.gz BDESMWMIKUOUTL-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)([NH3+])CCC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662878160 414784771 /nfs/dbraw/zinc/78/47/71/414784771.db2.gz OYLSKOPGTQZWMT-ZDUSSCGKSA-N 2 1 281.444 2.027 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cn1 ZINC000404522610 414787432 /nfs/dbraw/zinc/78/74/32/414787432.db2.gz XILPLDZFGUOZQK-ZFWWWQNUSA-N 2 1 264.417 2.413 20 0 CEADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650725103 414747629 /nfs/dbraw/zinc/74/76/29/414747629.db2.gz TUHFKNNUXJIMPB-KJWHEZOQSA-N 2 1 252.402 2.003 20 0 CEADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)([NH+](C)C)C1 ZINC000401122119 414749611 /nfs/dbraw/zinc/74/96/11/414749611.db2.gz KFWFXNNORHKPOF-ILOCAZANSA-N 3 1 293.499 2.475 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccc(CC)cc2)C[C@H]1C[NH3+] ZINC000405650074 414795583 /nfs/dbraw/zinc/79/55/83/414795583.db2.gz GCOOORPYXFSXKO-HZPDHXFCSA-N 2 1 262.397 2.045 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2nc3c(s2)CCC3)C1 ZINC000657182611 414797668 /nfs/dbraw/zinc/79/76/68/414797668.db2.gz BOYHUAWIDNSCRM-LBPRGKRZSA-N 2 1 279.453 2.453 20 0 CEADMP Cc1ccc(C)c(CN(C)C[C@H](O)C[N@H+](C)C(C)C)c1 ZINC000660414872 414809376 /nfs/dbraw/zinc/80/93/76/414809376.db2.gz RRHDKGUORKOFSB-KRWDZBQOSA-N 2 1 278.440 2.436 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CO1 ZINC000657334097 414865891 /nfs/dbraw/zinc/86/58/91/414865891.db2.gz MAXPFRFRWFVWBP-UKRRQHHQSA-N 2 1 252.402 2.160 20 0 CEADMP COc1cccc(CNCc2cnc3n2CCC3)c1 ZINC000657293419 414836041 /nfs/dbraw/zinc/83/60/41/414836041.db2.gz YZCLIPVAPJAWNA-UHFFFAOYSA-N 2 1 257.337 2.128 20 0 CEADMP COCc1csc(CNC2CC[NH+](C)CC2)c1 ZINC000657294522 414838692 /nfs/dbraw/zinc/83/86/92/414838692.db2.gz RKYJTAUINQAREF-UHFFFAOYSA-N 2 1 254.399 2.078 20 0 CEADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2cc3n(n2)CCC3)c1 ZINC000657300995 414841985 /nfs/dbraw/zinc/84/19/85/414841985.db2.gz XJMUWQDWPGVAEJ-UHFFFAOYSA-N 2 1 284.407 2.181 20 0 CEADMP Cc1noc(C)c1CCN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660658844 414920566 /nfs/dbraw/zinc/92/05/66/414920566.db2.gz IBYSPEIBJAHKMX-INIZCTEOSA-N 2 1 277.412 2.252 20 0 CEADMP Cc1noc(C)c1CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660658844 414920568 /nfs/dbraw/zinc/92/05/68/414920568.db2.gz IBYSPEIBJAHKMX-INIZCTEOSA-N 2 1 277.412 2.252 20 0 CEADMP Cc1noc(C)c1CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660658844 414920572 /nfs/dbraw/zinc/92/05/72/414920572.db2.gz IBYSPEIBJAHKMX-INIZCTEOSA-N 2 1 277.412 2.252 20 0 CEADMP Cc1noc(C)c1CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660658844 414920575 /nfs/dbraw/zinc/92/05/75/414920575.db2.gz IBYSPEIBJAHKMX-INIZCTEOSA-N 2 1 277.412 2.252 20 0 CEADMP Cc1noc(C)c1CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660658844 414920576 /nfs/dbraw/zinc/92/05/76/414920576.db2.gz IBYSPEIBJAHKMX-INIZCTEOSA-N 2 1 277.412 2.252 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)Cc1ccccc1)C2 ZINC000660663005 414925611 /nfs/dbraw/zinc/92/56/11/414925611.db2.gz MKWDXKLVKIYCNQ-ROUUACIJSA-N 2 1 288.435 2.008 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653148924 414926760 /nfs/dbraw/zinc/92/67/60/414926760.db2.gz PXNLVYNNTIARMN-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000657427787 414931044 /nfs/dbraw/zinc/93/10/44/414931044.db2.gz UFXLYQYTBXNTBD-UHFFFAOYSA-N 2 1 274.412 2.039 20 0 CEADMP CC(C)(C[NH2+]Cc1cnn2c1CCC2)C[NH+]1CCCC1 ZINC000657446816 414942121 /nfs/dbraw/zinc/94/21/21/414942121.db2.gz MEBYYFHWTFVICX-UHFFFAOYSA-N 2 1 276.428 2.041 20 0 CEADMP Cc1ccc2cc(C[N@@H+]3CC[C@@H](F)[C@H](N)C3)ccc2n1 ZINC000663504728 414976249 /nfs/dbraw/zinc/97/62/49/414976249.db2.gz DERAJOHPHIHGGS-HUUCEWRRSA-N 2 1 273.355 2.414 20 0 CEADMP Cc1ccc2cc(C[N@H+]3CC[C@@H](F)[C@H](N)C3)ccc2n1 ZINC000663504728 414976253 /nfs/dbraw/zinc/97/62/53/414976253.db2.gz DERAJOHPHIHGGS-HUUCEWRRSA-N 2 1 273.355 2.414 20 0 CEADMP C([NH2+][C@@H]1COC2(CCC2)C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466104 414963802 /nfs/dbraw/zinc/96/38/02/414963802.db2.gz OCAXPXQRQSWGFR-CVEARBPZSA-N 2 1 278.440 2.410 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+](CC3CC3)C2)[C@@H](C)C1 ZINC000663472226 414966346 /nfs/dbraw/zinc/96/63/46/414966346.db2.gz ZVMXBJGONLLQID-JQHSSLGASA-N 3 1 293.499 2.428 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)[C@@H](C)C1 ZINC000663472226 414966351 /nfs/dbraw/zinc/96/63/51/414966351.db2.gz ZVMXBJGONLLQID-JQHSSLGASA-N 2 1 293.499 2.428 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)[C@@H](C)C1 ZINC000663472226 414966354 /nfs/dbraw/zinc/96/63/54/414966354.db2.gz ZVMXBJGONLLQID-JQHSSLGASA-N 2 1 293.499 2.428 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](CC3CC3)C2)[C@@H](C)C1 ZINC000663472226 414966359 /nfs/dbraw/zinc/96/63/59/414966359.db2.gz ZVMXBJGONLLQID-JQHSSLGASA-N 3 1 293.499 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](CC3CC3)C2)[C@@H](C)C1 ZINC000663472226 414966364 /nfs/dbraw/zinc/96/63/64/414966364.db2.gz ZVMXBJGONLLQID-JQHSSLGASA-N 3 1 293.499 2.428 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)[C@@H](C)C1 ZINC000663472226 414966369 /nfs/dbraw/zinc/96/63/69/414966369.db2.gz ZVMXBJGONLLQID-JQHSSLGASA-N 3 1 293.499 2.428 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)[C@@H](C)C1 ZINC000663472226 414966372 /nfs/dbraw/zinc/96/63/72/414966372.db2.gz ZVMXBJGONLLQID-JQHSSLGASA-N 3 1 293.499 2.428 20 0 CEADMP CO[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)C1CCCC1 ZINC000657767752 415074399 /nfs/dbraw/zinc/07/43/99/415074399.db2.gz QVFVBDSASPIEBD-MRXNPFEDSA-N 2 1 277.412 2.442 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000657769137 415074795 /nfs/dbraw/zinc/07/47/95/415074795.db2.gz WIEZFRZBAWJYMK-BZUAXINKSA-N 2 1 266.429 2.408 20 0 CEADMP NC(=O)CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000657799050 415086337 /nfs/dbraw/zinc/08/63/37/415086337.db2.gz UTBJXPXFXSVPGN-GJZGRUSLSA-N 2 1 293.455 2.029 20 0 CEADMP C[C@H](O)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000657815826 415092414 /nfs/dbraw/zinc/09/24/14/415092414.db2.gz HIINAQGXYVTPCY-SVGFKBNWSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H](O)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000657815826 415092418 /nfs/dbraw/zinc/09/24/18/415092418.db2.gz HIINAQGXYVTPCY-SVGFKBNWSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H](c1cccnc1)[N@@H+](C)CCCc1cncn1C ZINC000653593335 415044929 /nfs/dbraw/zinc/04/49/29/415044929.db2.gz XOFJLNMUPWEECA-CYBMUJFWSA-N 2 1 258.369 2.441 20 0 CEADMP C[C@H](c1cccnc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000653593335 415044945 /nfs/dbraw/zinc/04/49/45/415044945.db2.gz XOFJLNMUPWEECA-CYBMUJFWSA-N 2 1 258.369 2.441 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000653779756 415102151 /nfs/dbraw/zinc/10/21/51/415102151.db2.gz ASGVLYKVSARRLY-CJNGLKHVSA-N 2 1 294.414 2.100 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000653779756 415102158 /nfs/dbraw/zinc/10/21/58/415102158.db2.gz ASGVLYKVSARRLY-CJNGLKHVSA-N 2 1 294.414 2.100 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657870257 415109395 /nfs/dbraw/zinc/10/93/95/415109395.db2.gz CYMGVWHPAZVPRO-HUUCEWRRSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657870257 415109397 /nfs/dbraw/zinc/10/93/97/415109397.db2.gz CYMGVWHPAZVPRO-HUUCEWRRSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)(C[NH2+][C@@H]1CCCn2nccc21)C[NH+]1CCCC1 ZINC000657989957 415147820 /nfs/dbraw/zinc/14/78/20/415147820.db2.gz NLWNLWHMJZLLHU-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000044527764 175192983 /nfs/dbraw/zinc/19/29/83/175192983.db2.gz OUWLQBMVKCZFRH-GFCCVEGCSA-N 2 1 270.323 2.459 20 0 CEADMP Cc1ccc2c(C[N@@H+]3CCC[C@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000044530502 175194931 /nfs/dbraw/zinc/19/49/31/175194931.db2.gz ONWJPJZKNMSPNK-CYBMUJFWSA-N 2 1 286.375 2.272 20 0 CEADMP Cc1ccc2c(C[N@H+]3CCC[C@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000044530502 175194933 /nfs/dbraw/zinc/19/49/33/175194933.db2.gz ONWJPJZKNMSPNK-CYBMUJFWSA-N 2 1 286.375 2.272 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000658095452 415207277 /nfs/dbraw/zinc/20/72/77/415207277.db2.gz HHYHZIHWRXUFBN-AWEZNQCLSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)O1 ZINC000658216853 415258190 /nfs/dbraw/zinc/25/81/90/415258190.db2.gz VHBKECOHMYLZSM-LJIZCISZSA-N 2 1 266.429 2.406 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C)O2)[C@@H](C)C1 ZINC000658218210 415259395 /nfs/dbraw/zinc/25/93/95/415259395.db2.gz HOERUUKMRVEZQK-XGUBFFRZSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@@H](Cn1cncn1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658227277 415263762 /nfs/dbraw/zinc/26/37/62/415263762.db2.gz AAXNCACJCZTDMO-GJZGRUSLSA-N 2 1 291.443 2.053 20 0 CEADMP CC[C@@H](Cn1cncn1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658227277 415263766 /nfs/dbraw/zinc/26/37/66/415263766.db2.gz AAXNCACJCZTDMO-GJZGRUSLSA-N 2 1 291.443 2.053 20 0 CEADMP COC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(OC)c1 ZINC000661473738 415278453 /nfs/dbraw/zinc/27/84/53/415278453.db2.gz RIYIFQGOQXWFTR-WBVHZDCISA-N 2 1 292.423 2.457 20 0 CEADMP COC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(OC)c1 ZINC000661473738 415278458 /nfs/dbraw/zinc/27/84/58/415278458.db2.gz RIYIFQGOQXWFTR-WBVHZDCISA-N 2 1 292.423 2.457 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C/C=C\CO)cc1 ZINC000658136806 415226530 /nfs/dbraw/zinc/22/65/30/415226530.db2.gz YEQAPPWHFXFHTP-SCOBNMCVSA-N 2 1 271.364 2.380 20 0 CEADMP CC1(C)[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1(F)F ZINC000658282003 415295093 /nfs/dbraw/zinc/29/50/93/415295093.db2.gz SMOUFLPGZFPFNL-QWHCGFSZSA-N 2 1 288.382 2.121 20 0 CEADMP c1ccc(CN2CC[C@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000658347447 415328871 /nfs/dbraw/zinc/32/88/71/415328871.db2.gz JLEFZDOLEVKYEO-IBGZPJMESA-N 2 1 299.462 2.477 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CC[N@H+]1C ZINC000658353082 415333872 /nfs/dbraw/zinc/33/38/72/415333872.db2.gz BPOOYCLNOUBVFT-YOEHRIQHSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCN1C ZINC000658353082 415333876 /nfs/dbraw/zinc/33/38/76/415333876.db2.gz BPOOYCLNOUBVFT-YOEHRIQHSA-N 2 1 279.472 2.181 20 0 CEADMP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1F ZINC000655698855 415394455 /nfs/dbraw/zinc/39/44/55/415394455.db2.gz YBZSSAYMFDUHFL-INIZCTEOSA-N 2 1 292.398 2.477 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCSCC1 ZINC000655711322 415403674 /nfs/dbraw/zinc/40/36/74/415403674.db2.gz HIZABUGVGDNULB-INIZCTEOSA-N 2 1 298.496 2.363 20 0 CEADMP C1=CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655729923 415419506 /nfs/dbraw/zinc/41/95/06/415419506.db2.gz PXGFMQFZSBJJHB-GOEBONIOSA-N 2 1 264.413 2.328 20 0 CEADMP Fc1ccccc1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655682387 415384588 /nfs/dbraw/zinc/38/45/88/415384588.db2.gz DGFNDGUYCYRWFY-MRXNPFEDSA-N 2 1 292.398 2.211 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CS1 ZINC000655772334 415451365 /nfs/dbraw/zinc/45/13/65/415451365.db2.gz NOKDUARZWNQPAN-DUJLVANISA-N 2 1 254.443 2.485 20 0 CEADMP COC1(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000655770889 415452435 /nfs/dbraw/zinc/45/24/35/415452435.db2.gz SXNZBDSZUUMYPJ-INIZCTEOSA-N 2 1 296.455 2.179 20 0 CEADMP CCC1([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655772375 415452957 /nfs/dbraw/zinc/45/29/57/415452957.db2.gz FNGXALDWHLPNJV-AWEZNQCLSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC(F)(F)F ZINC000655775775 415455406 /nfs/dbraw/zinc/45/54/06/415455406.db2.gz DMIHWRVKVAVHMZ-WCQYABFASA-N 2 1 294.361 2.418 20 0 CEADMP c1coc([C@@H]2C[C@H]2[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655776268 415456410 /nfs/dbraw/zinc/45/64/10/415456410.db2.gz KFHYQRMDWQLATI-ARFHVFGLSA-N 2 1 290.407 2.369 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000664719752 415462162 /nfs/dbraw/zinc/46/21/62/415462162.db2.gz XKDRGQABRRNSHO-OAHLLOKOSA-N 2 1 291.439 2.313 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2CCCCO2)CC[N@@H+]1C ZINC000655788276 415470447 /nfs/dbraw/zinc/47/04/47/415470447.db2.gz GDOCLPIKRFZZGD-DMRZNYOFSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2CCCCO2)CC[N@H+]1C ZINC000655788276 415470450 /nfs/dbraw/zinc/47/04/50/415470450.db2.gz GDOCLPIKRFZZGD-DMRZNYOFSA-N 2 1 266.429 2.406 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](CCc2noc3ccccc32)C1 ZINC000655936969 415556150 /nfs/dbraw/zinc/55/61/50/415556150.db2.gz RIRQWOUCXVLZHG-ZDUSSCGKSA-N 2 1 273.380 2.302 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2noc3ccccc32)C1 ZINC000655936969 415556155 /nfs/dbraw/zinc/55/61/55/415556155.db2.gz RIRQWOUCXVLZHG-ZDUSSCGKSA-N 2 1 273.380 2.302 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000655945943 415558999 /nfs/dbraw/zinc/55/89/99/415558999.db2.gz IERMPBXOHCSLIS-UKRRQHHQSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@@H]1C[N@@H+](CCc2noc3ccccc32)CC[C@@H]1[NH3+] ZINC000655939379 415559759 /nfs/dbraw/zinc/55/97/59/415559759.db2.gz OKVWXLSZBUUYBB-OCCSQVGLSA-N 2 1 273.380 2.430 20 0 CEADMP c1ccc2c(CC[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)noc2c1 ZINC000655941450 415560775 /nfs/dbraw/zinc/56/07/75/415560775.db2.gz URCLUMLTAZTZRP-OCCSQVGLSA-N 2 1 271.364 2.054 20 0 CEADMP c1ccc2c(CC[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)noc2c1 ZINC000655941450 415560777 /nfs/dbraw/zinc/56/07/77/415560777.db2.gz URCLUMLTAZTZRP-OCCSQVGLSA-N 2 1 271.364 2.054 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)C1CCC(F)CC1 ZINC000661999342 415566349 /nfs/dbraw/zinc/56/63/49/415566349.db2.gz UIFCJKKOGULQGN-URGYJCLVSA-N 2 1 274.424 2.194 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nc(C3CC3)cs2)C1 ZINC000656193022 415625689 /nfs/dbraw/zinc/62/56/89/415625689.db2.gz INKQUQJUGHKJKN-WDEREUQCSA-N 2 1 251.399 2.380 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@H]1CCOC1 ZINC000665251424 415651371 /nfs/dbraw/zinc/65/13/71/415651371.db2.gz OUZMJZKAEGSDOD-XLNGHYISSA-N 2 1 274.408 2.147 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)C1C[NH2+]C1 ZINC000665237635 415637918 /nfs/dbraw/zinc/63/79/18/415637918.db2.gz GEBCWJXSKZYZQC-BXKDBHETSA-N 2 1 280.334 2.074 20 0 CEADMP Cc1ccnc(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000656210244 415643777 /nfs/dbraw/zinc/64/37/77/415643777.db2.gz BXIBPZOARUSQIB-MELADBBJSA-N 2 1 263.385 2.300 20 0 CEADMP O[C@H]1CC[N@H+](C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000662149459 415657679 /nfs/dbraw/zinc/65/76/79/415657679.db2.gz PEYCLRPOQHASBM-INIZCTEOSA-N 2 1 294.826 2.371 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000665273644 415665146 /nfs/dbraw/zinc/66/51/46/415665146.db2.gz APRZAXJZTYCYSD-BHYGNILZSA-N 2 1 275.440 2.019 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665276828 415667679 /nfs/dbraw/zinc/66/76/79/415667679.db2.gz NQLGKLUWPNGQNU-IZIZEDOESA-N 2 1 299.462 2.239 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](OC)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000665276189 415668251 /nfs/dbraw/zinc/66/82/51/415668251.db2.gz ZUGZCWMTWZGAAK-SOUVJXGZSA-N 2 1 254.418 2.312 20 0 CEADMP CCC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccsc1 ZINC000665293091 415678959 /nfs/dbraw/zinc/67/89/59/415678959.db2.gz RCFSQQYMKFBXMY-LBPRGKRZSA-N 2 1 292.408 2.333 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCc2ccccc21 ZINC000662197139 415679643 /nfs/dbraw/zinc/67/96/43/415679643.db2.gz RIJFXWRWPBHGSA-IRXDYDNUSA-N 2 1 290.451 2.349 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000662197139 415679649 /nfs/dbraw/zinc/67/96/49/415679649.db2.gz RIJFXWRWPBHGSA-IRXDYDNUSA-N 2 1 290.451 2.349 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000662197139 415679653 /nfs/dbraw/zinc/67/96/53/415679653.db2.gz RIJFXWRWPBHGSA-IRXDYDNUSA-N 2 1 290.451 2.349 20 0 CEADMP C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000665299102 415686233 /nfs/dbraw/zinc/68/62/33/415686233.db2.gz GFVKEORWVPBLDU-XIRDDKMYSA-N 3 1 279.472 2.229 20 0 CEADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc2ccccc2c1 ZINC000071148710 176044767 /nfs/dbraw/zinc/04/47/67/176044767.db2.gz BGAOTZJLVCBJGW-UHFFFAOYSA-N 2 1 283.419 2.177 20 0 CEADMP Fc1cccc([C@@H]2COCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000662221540 415692678 /nfs/dbraw/zinc/69/26/78/415692678.db2.gz ARHPKCPVPPMEDT-INIZCTEOSA-N 2 1 278.371 2.199 20 0 CEADMP Fc1cccc([C@@H]2COCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000662221540 415692684 /nfs/dbraw/zinc/69/26/84/415692684.db2.gz ARHPKCPVPPMEDT-INIZCTEOSA-N 2 1 278.371 2.199 20 0 CEADMP C[C@H]1c2ccc(F)cc2CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257991 415724269 /nfs/dbraw/zinc/72/42/69/415724269.db2.gz VWSAKZSEEGEJMY-SWLSCSKDSA-N 2 1 290.382 2.266 20 0 CEADMP CCC[C@@]1(C)CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256723 415725130 /nfs/dbraw/zinc/72/51/30/415725130.db2.gz YFMLPOUGGLVKMS-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP CC1(C)CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256472 415725172 /nfs/dbraw/zinc/72/51/72/415725172.db2.gz JQXBECHCTTVRNX-CYBMUJFWSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1ccccc1[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258709 415727453 /nfs/dbraw/zinc/72/74/53/415727453.db2.gz WXAIQCQHDDPXBO-HOTGVXAUSA-N 2 1 286.419 2.305 20 0 CEADMP CO[C@H](C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+])C1CCCC1 ZINC000662243951 415708010 /nfs/dbraw/zinc/70/80/10/415708010.db2.gz DPLBGXQDKPOTMF-VHDGCEQUSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+])C1CCCC1 ZINC000662243951 415708015 /nfs/dbraw/zinc/70/80/15/415708015.db2.gz DPLBGXQDKPOTMF-VHDGCEQUSA-N 2 1 254.418 2.251 20 0 CEADMP CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252206 415715317 /nfs/dbraw/zinc/71/53/17/415715317.db2.gz MGSZBANAKWEOMU-MRXNPFEDSA-N 2 1 290.407 2.038 20 0 CEADMP [NH3+]CC1(O)CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000071645496 176239862 /nfs/dbraw/zinc/23/98/62/176239862.db2.gz HYQHLGZZMJJXGC-UHFFFAOYSA-N 2 1 289.206 2.279 20 0 CEADMP Cc1nnsc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662272367 415740090 /nfs/dbraw/zinc/74/00/90/415740090.db2.gz FMQDQCXNZDXREB-CHWSQXEVSA-N 2 1 280.441 2.058 20 0 CEADMP c1ccc2c(c1)CC[C@H]2CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662275571 415742849 /nfs/dbraw/zinc/74/28/49/415742849.db2.gz FIIMFYDIKYCGMV-ROUUACIJSA-N 2 1 299.462 2.086 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000662278195 415747135 /nfs/dbraw/zinc/74/71/35/415747135.db2.gz XNHCDYNCFGBSKI-IAGOWNOFSA-N 2 1 274.408 2.450 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)C1CCC1 ZINC000662282647 415747525 /nfs/dbraw/zinc/74/75/25/415747525.db2.gz IMOSSXJVTFSFFT-NZBPQXDJSA-N 2 1 254.418 2.107 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)C1CCC1 ZINC000662282648 415749679 /nfs/dbraw/zinc/74/96/79/415749679.db2.gz IMOSSXJVTFSFFT-PAPYEOQZSA-N 2 1 254.418 2.107 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCC2(CCCC2)CC1 ZINC000662299421 415762310 /nfs/dbraw/zinc/76/23/10/415762310.db2.gz PLEMXOBQISEHRV-AWEZNQCLSA-N 2 1 254.418 2.003 20 0 CEADMP Oc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000656575312 415772526 /nfs/dbraw/zinc/77/25/26/415772526.db2.gz OXKSXBGQTWZDAT-MRXNPFEDSA-N 2 1 286.419 2.466 20 0 CEADMP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000662315919 415775069 /nfs/dbraw/zinc/77/50/69/415775069.db2.gz SUNHNOYMDPHSIC-LMSBXDPUSA-N 2 1 290.451 2.428 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000662284464 415752054 /nfs/dbraw/zinc/75/20/54/415752054.db2.gz YKYOBUDSYUQEOT-VNQPRFMTSA-N 2 1 268.445 2.498 20 0 CEADMP CCCc1noc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662291933 415756984 /nfs/dbraw/zinc/75/69/84/415756984.db2.gz ZOFVEXLDDFXEAJ-AWEZNQCLSA-N 2 1 292.427 2.234 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000662414966 415832611 /nfs/dbraw/zinc/83/26/11/415832611.db2.gz JYNDVMVXRURCMU-HNNXBMFYSA-N 2 1 297.487 2.378 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](OC)C2CCCC2)C1 ZINC000659990250 415833233 /nfs/dbraw/zinc/83/32/33/415833233.db2.gz ZGAGUKKRWUYPAS-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](OC)C2CCCC2)C1 ZINC000659990250 415833237 /nfs/dbraw/zinc/83/32/37/415833237.db2.gz ZGAGUKKRWUYPAS-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@H]([NH2+]C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000662454005 415849837 /nfs/dbraw/zinc/84/98/37/415849837.db2.gz FAJCVPIHVXFGKF-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000659924085 415786148 /nfs/dbraw/zinc/78/61/48/415786148.db2.gz BFYDGMYJGAYZGN-MRXNPFEDSA-N 2 1 262.397 2.087 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC000659924085 415786152 /nfs/dbraw/zinc/78/61/52/415786152.db2.gz BFYDGMYJGAYZGN-MRXNPFEDSA-N 2 1 262.397 2.087 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN[C@@]1(c2ccccc2)CC1(C)C ZINC000662341167 415791014 /nfs/dbraw/zinc/79/10/14/415791014.db2.gz QKYMOXFYRRNVOC-DOTOQJQBSA-N 2 1 276.424 2.214 20 0 CEADMP CC[C@H]([NH2+]C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000662343041 415791929 /nfs/dbraw/zinc/79/19/29/415791929.db2.gz NXPBDWBQLSIXEA-UONOGXRCSA-N 2 1 297.830 2.057 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2COC(C)(C)C2)C1 ZINC000659982810 415824793 /nfs/dbraw/zinc/82/47/93/415824793.db2.gz XMRKVJKSLLCZIB-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659982810 415824797 /nfs/dbraw/zinc/82/47/97/415824797.db2.gz XMRKVJKSLLCZIB-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659982810 415824800 /nfs/dbraw/zinc/82/48/00/415824800.db2.gz XMRKVJKSLLCZIB-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](OC)C2CCC2)C1 ZINC000659982125 415825142 /nfs/dbraw/zinc/82/51/42/415825142.db2.gz GBTDYUZVZLBSIN-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](OC)C2CCC2)C1 ZINC000659982125 415825148 /nfs/dbraw/zinc/82/51/48/415825148.db2.gz GBTDYUZVZLBSIN-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC000659982125 415825155 /nfs/dbraw/zinc/82/51/55/415825155.db2.gz GBTDYUZVZLBSIN-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP Cc1nc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)co1 ZINC000660115423 415888069 /nfs/dbraw/zinc/88/80/69/415888069.db2.gz NCCYDQUCDZUATJ-CJNGLKHVSA-N 2 1 275.396 2.432 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000662678255 415927174 /nfs/dbraw/zinc/92/71/74/415927174.db2.gz CHMHEZLVTNOTGT-PMPSAXMXSA-N 2 1 297.487 2.377 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CC1([NH3+])CC1 ZINC000662675373 415927616 /nfs/dbraw/zinc/92/76/16/415927616.db2.gz MCVYLIFBMIKEAP-UHFFFAOYSA-N 2 1 289.423 2.024 20 0 CEADMP CC(C)[NH2+]CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000662459259 415852359 /nfs/dbraw/zinc/85/23/59/415852359.db2.gz DZRLYLHLQLUSMH-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)[C@@H]1CCOC1 ZINC000656782369 415858590 /nfs/dbraw/zinc/85/85/90/415858590.db2.gz FMFZCHSUQJLBJT-ZBFHGGJFSA-N 2 1 266.429 2.125 20 0 CEADMP COCC(C)(C)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783845 415860274 /nfs/dbraw/zinc/86/02/74/415860274.db2.gz VEKRSAUQCATGJS-OAHLLOKOSA-N 2 1 268.445 2.371 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)CC[NH2+]C1 ZINC000656791869 415863842 /nfs/dbraw/zinc/86/38/42/415863842.db2.gz LNKFOHLFJHTAQT-PMPSAXMXSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662711008 415937632 /nfs/dbraw/zinc/93/76/32/415937632.db2.gz JSHXEFZYMJHFSI-OKILXGFUSA-N 2 1 293.455 2.027 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)CC(C)(C)C1 ZINC000660247002 415937911 /nfs/dbraw/zinc/93/79/11/415937911.db2.gz BPYAYBLWLYIHSQ-ZIAGYGMSSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000660247002 415937914 /nfs/dbraw/zinc/93/79/14/415937914.db2.gz BPYAYBLWLYIHSQ-ZIAGYGMSSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000660247002 415937918 /nfs/dbraw/zinc/93/79/18/415937918.db2.gz BPYAYBLWLYIHSQ-ZIAGYGMSSA-N 2 1 256.434 2.056 20 0 CEADMP C[NH+](C)CCC1CCN(CC[NH+]2CCCCC2)CC1 ZINC000077172888 177230317 /nfs/dbraw/zinc/23/03/17/177230317.db2.gz QVXFCDZXVIHZEI-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCOc2ccccc2)CC1 ZINC000077249184 177239295 /nfs/dbraw/zinc/23/92/95/177239295.db2.gz QFELDVZRLPVJFN-UHFFFAOYSA-N 2 1 262.397 2.482 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCOc2ccccc2)CC1 ZINC000077249184 177239297 /nfs/dbraw/zinc/23/92/97/177239297.db2.gz QFELDVZRLPVJFN-UHFFFAOYSA-N 2 1 262.397 2.482 20 0 CEADMP Cc1cccn2c(C[NH2+][C@H]3CC[NH2+]CC3(C)C)cnc12 ZINC000334840944 225331736 /nfs/dbraw/zinc/33/17/36/225331736.db2.gz DKOFLJAEYJWUKZ-AWEZNQCLSA-N 2 1 272.396 2.120 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000567274564 299048629 /nfs/dbraw/zinc/04/86/29/299048629.db2.gz ZWUSSBLPHNVDNP-HZPDHXFCSA-N 2 1 295.471 2.289 20 0 CEADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cn2cccc(F)c2n1 ZINC000666743474 419413179 /nfs/dbraw/zinc/41/31/79/419413179.db2.gz RGIOXZJGELDDPN-RISCZKNCSA-N 2 1 276.359 2.081 20 0 CEADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000666953809 419490174 /nfs/dbraw/zinc/49/01/74/419490174.db2.gz HZMSKDVSYDTCLH-SFHVURJKSA-N 3 1 299.462 2.383 20 0 CEADMP CC(C)(C)n1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000666998335 419508746 /nfs/dbraw/zinc/50/87/46/419508746.db2.gz ODJHXAPMLGWMMU-AWEZNQCLSA-N 2 1 276.428 2.402 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC(=O)N(C)C2CCCCC2)CC[NH2+]1 ZINC000666620233 419747874 /nfs/dbraw/zinc/74/78/74/419747874.db2.gz NFJXMSKTOIHHLI-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cccc2[nH]c(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc21 ZINC000667712347 419779608 /nfs/dbraw/zinc/77/96/08/419779608.db2.gz CUNFRZIUEHHVKR-STQMWFEESA-N 2 1 255.365 2.128 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCOCC3(CCCC3)C2)CC[NH2+]1 ZINC000666705407 419780808 /nfs/dbraw/zinc/78/08/08/419780808.db2.gz PMWCOAWOJHTKBK-CABCVRRESA-N 2 1 266.429 2.267 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)[C@H]1C ZINC000518011513 260335141 /nfs/dbraw/zinc/33/51/41/260335141.db2.gz UNLNZXBQKFKQIL-VGWMRTNUSA-N 2 1 296.455 2.284 20 0 CEADMP C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)C1CCCCCC1 ZINC000394556212 261601194 /nfs/dbraw/zinc/60/11/94/261601194.db2.gz COHBWWDQDHXXMS-KRWDZBQOSA-N 2 1 279.472 2.326 20 0 CEADMP c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000390432650 262192194 /nfs/dbraw/zinc/19/21/94/262192194.db2.gz QIAABBVOISPPLJ-KRWDZBQOSA-N 2 1 284.407 2.163 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000430763300 533686045 /nfs/dbraw/zinc/68/60/45/533686045.db2.gz NPOHXZKJMHORPO-PMPSAXMXSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)C(C[N@@H+](C)CCCN1CC[NH+](C)CC1)C(C)C ZINC000518838164 265123679 /nfs/dbraw/zinc/12/36/79/265123679.db2.gz NJEPRUHOFAVFPS-UHFFFAOYSA-N 2 1 283.504 2.484 20 0 CEADMP C[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000396345954 270349397 /nfs/dbraw/zinc/34/93/97/270349397.db2.gz QNZADHOLDIBWMW-FUHWJXTLSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(O)cc(F)c2)C[C@@H]1C[NH3+] ZINC000397340728 270353671 /nfs/dbraw/zinc/35/36/71/270353671.db2.gz VNAKTCULKNRSLP-MDZLAQPJSA-N 2 1 266.360 2.337 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(O)cc(F)c2)C[C@@H]1C[NH3+] ZINC000397340728 270353669 /nfs/dbraw/zinc/35/36/69/270353669.db2.gz VNAKTCULKNRSLP-MDZLAQPJSA-N 2 1 266.360 2.337 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000398078109 270355805 /nfs/dbraw/zinc/35/58/05/270355805.db2.gz ANBMQDWHSZJPCI-CRAIPNDOSA-N 2 1 287.451 2.239 20 0 CEADMP CC(C)(C)CCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000420317975 270515038 /nfs/dbraw/zinc/51/50/38/270515038.db2.gz VFNRIMRBJAQSNT-AWEZNQCLSA-N 2 1 283.460 2.132 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCCC[C@H]2N)CC1 ZINC000422793629 270771863 /nfs/dbraw/zinc/77/18/63/270771863.db2.gz XFBYNDOIYNGYOV-HZPDHXFCSA-N 2 1 267.461 2.358 20 0 CEADMP C[C@@H]([NH2+]CCc1cc(F)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000422818489 270782939 /nfs/dbraw/zinc/78/29/39/270782939.db2.gz GMBOSSCILRNFGI-YGRLFVJLSA-N 2 1 254.324 2.237 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000422888411 270799390 /nfs/dbraw/zinc/79/93/90/270799390.db2.gz CRRPGUVWHDECET-ZFWWWQNUSA-N 3 1 255.450 2.214 20 0 CEADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423152861 270852583 /nfs/dbraw/zinc/85/25/83/270852583.db2.gz FTECPBILZRPBND-XBVQOTNRSA-N 2 1 274.408 2.230 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000423183270 270864211 /nfs/dbraw/zinc/86/42/11/270864211.db2.gz HPEQIJKGSRUPDF-QLFBSQMISA-N 2 1 266.429 2.456 20 0 CEADMP C[C@H](C[NH3+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423320844 270896348 /nfs/dbraw/zinc/89/63/48/270896348.db2.gz GUKFZHWANFQSAB-BZZMCLGOSA-N 2 1 287.451 2.366 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C[C@H]2C1 ZINC000424256085 271035277 /nfs/dbraw/zinc/03/52/77/271035277.db2.gz AHFVGIKYNLTDSV-GAGVYUBLSA-N 2 1 278.440 2.264 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)C[C@H]2C1 ZINC000424267166 271036764 /nfs/dbraw/zinc/03/67/64/271036764.db2.gz MBHDVAWSQHJDAB-QROFKTNTSA-N 2 1 278.440 2.406 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)C[C@H]2C1 ZINC000424267166 271036767 /nfs/dbraw/zinc/03/67/67/271036767.db2.gz MBHDVAWSQHJDAB-QROFKTNTSA-N 2 1 278.440 2.406 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@]1(C)CCCO1 ZINC000428244112 271249942 /nfs/dbraw/zinc/24/99/42/271249942.db2.gz VDMZJRMVIVFOLE-DOMZBBRYSA-N 2 1 252.402 2.160 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@H](C)C[NH3+])cc1 ZINC000429336426 271324007 /nfs/dbraw/zinc/32/40/07/271324007.db2.gz RGCLGLGLXWCVAV-CQSZACIVSA-N 2 1 291.439 2.338 20 0 CEADMP CC(C)C[N@@H+](CCC(=O)N1CCN(C)CC1)CC(C)(C)C ZINC000429669829 271340644 /nfs/dbraw/zinc/34/06/44/271340644.db2.gz FBXQTCJUFRIKHL-UHFFFAOYSA-N 2 1 297.487 2.155 20 0 CEADMP CC(C)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(C)(C)C ZINC000429669829 271340646 /nfs/dbraw/zinc/34/06/46/271340646.db2.gz FBXQTCJUFRIKHL-UHFFFAOYSA-N 2 1 297.487 2.155 20 0 CEADMP CC(C)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(C)(C)C ZINC000429669829 271340649 /nfs/dbraw/zinc/34/06/49/271340649.db2.gz FBXQTCJUFRIKHL-UHFFFAOYSA-N 2 1 297.487 2.155 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000430551634 271388846 /nfs/dbraw/zinc/38/88/46/271388846.db2.gz MGWKNUJOZANYFX-STQMWFEESA-N 2 1 293.386 2.214 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)NCC1CCCCC1 ZINC000430572831 271391900 /nfs/dbraw/zinc/39/19/00/271391900.db2.gz PCQZFUNJTCFORG-MRXNPFEDSA-N 2 1 297.487 2.378 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@](C)(C[NH3+])C(C)C)c1 ZINC000430565266 271392225 /nfs/dbraw/zinc/39/22/25/271392225.db2.gz FDNWRINULJJOSM-HNNXBMFYSA-N 2 1 263.385 2.108 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2nccn2C(C)C)CC1 ZINC000430583563 271394860 /nfs/dbraw/zinc/39/48/60/271394860.db2.gz NAMSQOZREBAHJQ-UHFFFAOYSA-N 2 1 264.417 2.286 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000436310598 271660359 /nfs/dbraw/zinc/66/03/59/271660359.db2.gz RRSZEEWWYSMMSQ-VYDRJRHOSA-N 2 1 282.428 2.037 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H]3CCO[C@H]3C)CC2)[nH+]1 ZINC000121230679 274793447 /nfs/dbraw/zinc/79/34/47/274793447.db2.gz BPSLRQMBYIIPBM-ZFWWWQNUSA-N 2 1 275.396 2.126 20 0 CEADMP O[C@@H]1CC[N@H+](CCC[NH+]2CCCC2)Cc2ccccc21 ZINC000376349905 275053930 /nfs/dbraw/zinc/05/39/30/275053930.db2.gz KUBFDFFYNBQVRN-QGZVFWFLSA-N 2 1 274.408 2.412 20 0 CEADMP O[C@@H]1CC[N@@H+](CCC[NH+]2CCCC2)Cc2ccccc21 ZINC000376349905 275053931 /nfs/dbraw/zinc/05/39/31/275053931.db2.gz KUBFDFFYNBQVRN-QGZVFWFLSA-N 2 1 274.408 2.412 20 0 CEADMP C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)O[C@@H]1CCCCO1 ZINC000193057188 275391824 /nfs/dbraw/zinc/39/18/24/275391824.db2.gz KZFNNQOCJFGEEJ-DLBZAZTESA-N 2 1 296.455 2.480 20 0 CEADMP C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)O[C@@H]1CCCCO1 ZINC000193057188 275391823 /nfs/dbraw/zinc/39/18/23/275391823.db2.gz KZFNNQOCJFGEEJ-DLBZAZTESA-N 2 1 296.455 2.480 20 0 CEADMP C([C@@H]1CCC[N@@H+]([C@@H]2CCOC2)C1)[NH+]1CCCCCC1 ZINC000334353094 275396436 /nfs/dbraw/zinc/39/64/36/275396436.db2.gz XVRONAWYNCAXHL-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C([C@@H]1CCC[N@H+]([C@@H]2CCOC2)C1)[NH+]1CCCCCC1 ZINC000334353094 275396437 /nfs/dbraw/zinc/39/64/37/275396437.db2.gz XVRONAWYNCAXHL-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000261950808 275396684 /nfs/dbraw/zinc/39/66/84/275396684.db2.gz NYYFGKOEYLMPRT-GDBMZVCRSA-N 2 1 266.429 2.267 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000261950808 275396685 /nfs/dbraw/zinc/39/66/85/275396685.db2.gz NYYFGKOEYLMPRT-GDBMZVCRSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000223819133 275570870 /nfs/dbraw/zinc/57/08/70/275570870.db2.gz KREONLYBSXUPKF-GFCCVEGCSA-N 2 1 250.390 2.181 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H]1CCO[C@H](C)C1)[NH+]1CCCC1 ZINC000252139788 275670964 /nfs/dbraw/zinc/67/09/64/275670964.db2.gz NAOWORWKBCEWIY-RBSFLKMASA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000070356261 276033205 /nfs/dbraw/zinc/03/32/05/276033205.db2.gz VJBBSSFGXXAGDN-GOEBONIOSA-N 2 1 266.429 2.406 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351540959 276041523 /nfs/dbraw/zinc/04/15/23/276041523.db2.gz WRZWSBMCQODVIT-CWRNSKLLSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351540959 276041524 /nfs/dbraw/zinc/04/15/24/276041524.db2.gz WRZWSBMCQODVIT-CWRNSKLLSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351540959 276041525 /nfs/dbraw/zinc/04/15/25/276041525.db2.gz WRZWSBMCQODVIT-CWRNSKLLSA-N 2 1 268.445 2.342 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351540959 276041526 /nfs/dbraw/zinc/04/15/26/276041526.db2.gz WRZWSBMCQODVIT-CWRNSKLLSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000272033117 276106695 /nfs/dbraw/zinc/10/66/95/276106695.db2.gz WUZJYCFPYMZDCQ-QGTPRVQTSA-N 2 1 288.435 2.308 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415084928 276157652 /nfs/dbraw/zinc/15/76/52/276157652.db2.gz RXMCBOQMOWBWPI-WCXIOVBPSA-N 2 1 279.472 2.371 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415084928 276157655 /nfs/dbraw/zinc/15/76/55/276157655.db2.gz RXMCBOQMOWBWPI-WCXIOVBPSA-N 2 1 279.472 2.371 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000252696805 276212441 /nfs/dbraw/zinc/21/24/41/276212441.db2.gz CNOLVHBXJDSLSW-LSDHHAIUSA-N 2 1 274.408 2.484 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn3c(n2)CCCC3)[C@@H](C)C1 ZINC000372785361 276217106 /nfs/dbraw/zinc/21/71/06/276217106.db2.gz YQUJDLWXSDORSI-GOEBONIOSA-N 2 1 290.455 2.082 20 0 CEADMP CC[C@H](C[NH2+][C@H](C)[C@H]1CCCOC1)[NH+]1CCCC1 ZINC000356830571 276627324 /nfs/dbraw/zinc/62/73/24/276627324.db2.gz APUOMQNVYSNGPX-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H](CO)CC2CCCCC2)CC1 ZINC000417357918 276888390 /nfs/dbraw/zinc/88/83/90/276888390.db2.gz DXUUEXGDEHWDBJ-OAHLLOKOSA-N 2 1 254.418 2.002 20 0 CEADMP CC(=O)N1CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000040668829 276958320 /nfs/dbraw/zinc/95/83/20/276958320.db2.gz OSNYZBBULLINMY-PBHICJAKSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000375892367 277025529 /nfs/dbraw/zinc/02/55/29/277025529.db2.gz YMJLZHZHOYKCDG-BZUAXINKSA-N 3 1 279.472 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)[C@H]2CCC[C@H]21 ZINC000375892367 277025530 /nfs/dbraw/zinc/02/55/30/277025530.db2.gz YMJLZHZHOYKCDG-BZUAXINKSA-N 2 1 279.472 2.181 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000362179593 277060053 /nfs/dbraw/zinc/06/00/53/277060053.db2.gz NMAZBLLTZVJMPC-QLFBSQMISA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000362179593 277060055 /nfs/dbraw/zinc/06/00/55/277060055.db2.gz NMAZBLLTZVJMPC-QLFBSQMISA-N 2 1 252.402 2.114 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000362179593 277060056 /nfs/dbraw/zinc/06/00/56/277060056.db2.gz NMAZBLLTZVJMPC-QLFBSQMISA-N 2 1 252.402 2.114 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000336839835 277078035 /nfs/dbraw/zinc/07/80/35/277078035.db2.gz PGADRKHUSSWANB-QWHCGFSZSA-N 2 1 294.361 2.250 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000336839835 277078036 /nfs/dbraw/zinc/07/80/36/277078036.db2.gz PGADRKHUSSWANB-QWHCGFSZSA-N 2 1 294.361 2.250 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000336839835 277078037 /nfs/dbraw/zinc/07/80/37/277078037.db2.gz PGADRKHUSSWANB-QWHCGFSZSA-N 2 1 294.361 2.250 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000377694332 277110603 /nfs/dbraw/zinc/11/06/03/277110603.db2.gz INXLVMCGTDDUGV-QZTJIDSGSA-N 2 1 291.483 2.445 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000377694332 277110604 /nfs/dbraw/zinc/11/06/04/277110604.db2.gz INXLVMCGTDDUGV-QZTJIDSGSA-N 2 1 291.483 2.445 20 0 CEADMP CC(C)(C)N1CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000415014734 277152332 /nfs/dbraw/zinc/15/23/32/277152332.db2.gz XGDPUCXZEOFTEY-JKSUJKDBSA-N 2 1 279.472 2.227 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000336008150 277158850 /nfs/dbraw/zinc/15/88/50/277158850.db2.gz XAHDBKVYDROBMV-MRXNPFEDSA-N 2 1 266.429 2.146 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000336008150 277158851 /nfs/dbraw/zinc/15/88/51/277158851.db2.gz XAHDBKVYDROBMV-MRXNPFEDSA-N 2 1 266.429 2.146 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000347043476 277279907 /nfs/dbraw/zinc/27/99/07/277279907.db2.gz MWKPPEBBIHPWKV-AWEZNQCLSA-N 2 1 278.444 2.296 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000347043476 277279909 /nfs/dbraw/zinc/27/99/09/277279909.db2.gz MWKPPEBBIHPWKV-AWEZNQCLSA-N 2 1 278.444 2.296 20 0 CEADMP CO[C@](C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000311127455 277357568 /nfs/dbraw/zinc/35/75/68/277357568.db2.gz IKLQCXFQUBPVAW-SOUVJXGZSA-N 2 1 252.402 2.018 20 0 CEADMP COC(=O)[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC12CCC2 ZINC000373148926 277363266 /nfs/dbraw/zinc/36/32/66/277363266.db2.gz BGASLRZIYAVILP-CABCVRRESA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CC12CCC2 ZINC000373148926 277363268 /nfs/dbraw/zinc/36/32/68/277363268.db2.gz BGASLRZIYAVILP-CABCVRRESA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CC12CCC2 ZINC000373148926 277363269 /nfs/dbraw/zinc/36/32/69/277363269.db2.gz BGASLRZIYAVILP-CABCVRRESA-N 2 1 294.439 2.136 20 0 CEADMP CC(C)C[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000355413287 277383541 /nfs/dbraw/zinc/38/35/41/277383541.db2.gz WIPDNXHQEIEHBC-GASCZTMLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000353633806 277387670 /nfs/dbraw/zinc/38/76/70/277387670.db2.gz UESJHQQLEIEHLH-HWOWSKLDSA-N 2 1 268.445 2.390 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000353633806 277387671 /nfs/dbraw/zinc/38/76/71/277387671.db2.gz UESJHQQLEIEHLH-HWOWSKLDSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCN2CCc3ccccc3C2)CC[N@H+]1C ZINC000121730763 278025910 /nfs/dbraw/zinc/02/59/10/278025910.db2.gz SNTOIIPWQMSJRR-CRAIPNDOSA-N 2 1 287.451 2.117 20 0 CEADMP COc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000096268649 278049338 /nfs/dbraw/zinc/04/93/38/278049338.db2.gz SNWOFTYZIAFRJJ-MRXNPFEDSA-N 2 1 260.381 2.223 20 0 CEADMP COc1ccccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000096268649 278049342 /nfs/dbraw/zinc/04/93/42/278049342.db2.gz SNWOFTYZIAFRJJ-MRXNPFEDSA-N 2 1 260.381 2.223 20 0 CEADMP COc1ccccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000096268649 278049345 /nfs/dbraw/zinc/04/93/45/278049345.db2.gz SNWOFTYZIAFRJJ-MRXNPFEDSA-N 2 1 260.381 2.223 20 0 CEADMP COc1ccccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000096268649 278049349 /nfs/dbraw/zinc/04/93/49/278049349.db2.gz SNWOFTYZIAFRJJ-MRXNPFEDSA-N 2 1 260.381 2.223 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414778940 278225543 /nfs/dbraw/zinc/22/55/43/278225543.db2.gz JSYOOKWXLRMXNX-CWRNSKLLSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000414778940 278225545 /nfs/dbraw/zinc/22/55/45/278225545.db2.gz JSYOOKWXLRMXNX-CWRNSKLLSA-N 2 1 266.429 2.123 20 0 CEADMP CC1(C)CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000346552074 278282567 /nfs/dbraw/zinc/28/25/67/278282567.db2.gz IBIOUMLYJKMOHU-LSDHHAIUSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)N(C)c1ccccc1 ZINC000359944134 278285347 /nfs/dbraw/zinc/28/53/47/278285347.db2.gz SENIZQRCVWYQFQ-HLLBOEOZSA-N 2 1 275.440 2.441 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093215083 278341949 /nfs/dbraw/zinc/34/19/49/278341949.db2.gz YBEWXQYAGHLMNT-JSGCOSHPSA-N 3 1 253.434 2.109 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000070356249 278368579 /nfs/dbraw/zinc/36/85/79/278368579.db2.gz GAVRQRBIICFLQS-ZDUSSCGKSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H](N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000400491298 278388455 /nfs/dbraw/zinc/38/84/55/278388455.db2.gz ZIZXWVWTAALEEJ-AHCXZYCDSA-N 2 1 287.451 2.237 20 0 CEADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CCOCC1 ZINC000343404043 288042490 /nfs/dbraw/zinc/04/24/90/288042490.db2.gz OCOUKWDTQYGZPQ-GJZGRUSLSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268852267 279021617 /nfs/dbraw/zinc/02/16/17/279021617.db2.gz PYUVISSEPOBTJE-RDTXWAMCSA-N 2 1 288.435 2.356 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000245501076 288107772 /nfs/dbraw/zinc/10/77/72/288107772.db2.gz BUNGYCTUBVKECM-YIYPIFLZSA-N 2 1 254.418 2.262 20 0 CEADMP CC[NH+](CC)CCN1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000119839384 279103293 /nfs/dbraw/zinc/10/32/93/279103293.db2.gz PGVFYMCRCUDOOI-OAHLLOKOSA-N 2 1 267.461 2.277 20 0 CEADMP C[C@H](CC(=O)NCC[N@@H+](C)C1CCCC1)C1CC[NH2+]CC1 ZINC000237626705 279246403 /nfs/dbraw/zinc/24/64/03/279246403.db2.gz FYBHOSOCYSLMLJ-CQSZACIVSA-N 2 1 295.471 2.003 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000121719878 279257317 /nfs/dbraw/zinc/25/73/17/279257317.db2.gz FIRIPHAQYJXSEU-HOCLYGCPSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000121719878 279257320 /nfs/dbraw/zinc/25/73/20/279257320.db2.gz FIRIPHAQYJXSEU-HOCLYGCPSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H](F)CC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000367530932 279390937 /nfs/dbraw/zinc/39/09/37/279390937.db2.gz KJLKQIHEFYHYSY-LXTVHRRPSA-N 2 1 272.408 2.214 20 0 CEADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000366414634 280026450 /nfs/dbraw/zinc/02/64/50/280026450.db2.gz OOWHMMOGJFIGOP-WBVHZDCISA-N 2 1 299.418 2.145 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000237540136 280231660 /nfs/dbraw/zinc/23/16/60/280231660.db2.gz NPOHXZKJMHORPO-OAGGEKHMSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C[C@H](C)O1 ZINC000245583348 280251834 /nfs/dbraw/zinc/25/18/34/280251834.db2.gz IJCSMLYLFRNKJQ-ARSDKDGVSA-N 2 1 254.418 2.261 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000247267102 280324498 /nfs/dbraw/zinc/32/44/98/280324498.db2.gz ZPHQCIMYZXIRIA-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000247267102 280324503 /nfs/dbraw/zinc/32/45/03/280324503.db2.gz ZPHQCIMYZXIRIA-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000247267102 280324504 /nfs/dbraw/zinc/32/45/04/280324504.db2.gz ZPHQCIMYZXIRIA-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000247469287 280330712 /nfs/dbraw/zinc/33/07/12/280330712.db2.gz RXNFJXPVAPZTIY-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000258990915 280528358 /nfs/dbraw/zinc/52/83/58/280528358.db2.gz LSAGSUUZZGFXML-LLVKDONJSA-N 2 1 268.788 2.438 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH]c2ncccc12)c1c[nH+]ccc1N ZINC000423008238 280989378 /nfs/dbraw/zinc/98/93/78/280989378.db2.gz ZLSMDWXLWVEQGU-NSHDSACASA-N 2 1 281.363 2.264 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423051737 281011497 /nfs/dbraw/zinc/01/14/97/281011497.db2.gz OYSPJPHMGOVSHE-XJFOESAGSA-N 2 1 254.418 2.309 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000423052655 281011962 /nfs/dbraw/zinc/01/19/62/281011962.db2.gz QFWLWIJZOJQTBO-YXWQFLTLSA-N 2 1 263.429 2.393 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(OC)c(OC)c1 ZINC000423330088 281023043 /nfs/dbraw/zinc/02/30/43/281023043.db2.gz TWQLDFRWZGTHNI-UONOGXRCSA-N 2 1 278.396 2.482 20 0 CEADMP C[C@H](NC[C@@H]([NH3+])C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423330980 281024379 /nfs/dbraw/zinc/02/43/79/281024379.db2.gz UMYDGSGQQOMWLR-JCGIZDLHSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1[NH2+]CCCC1(C)C ZINC000423402070 281028681 /nfs/dbraw/zinc/02/86/81/281028681.db2.gz YEFTWHCXGPVFIW-KBUPBQIOSA-N 2 1 267.461 2.083 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C[C@@H]1OC ZINC000423403550 281029448 /nfs/dbraw/zinc/02/94/48/281029448.db2.gz YKCBOMSFWJADFD-SYQHCUMBSA-N 2 1 254.418 2.310 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423404624 281030709 /nfs/dbraw/zinc/03/07/09/281030709.db2.gz SOPVUIYRCKTCJH-QWHCGFSZSA-N 2 1 277.412 2.166 20 0 CEADMP COc1ncc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000423406497 281031733 /nfs/dbraw/zinc/03/17/33/281031733.db2.gz UTEZAPXQABOFOX-OUJBWJOFSA-N 2 1 283.803 2.392 20 0 CEADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000423424623 281037079 /nfs/dbraw/zinc/03/70/79/281037079.db2.gz FZZRBUGQAKEBJR-GGFCQSDPSA-N 3 1 299.462 2.237 20 0 CEADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC2CCCCC2)C[N@H+]1C1CC1 ZINC000423438032 281042623 /nfs/dbraw/zinc/04/26/23/281042623.db2.gz UURCBQVOWUHYET-XPKDYRNWSA-N 2 1 293.455 2.026 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423440908 281043875 /nfs/dbraw/zinc/04/38/75/281043875.db2.gz IQIWCCBYRPBXDI-RDBSUJKOSA-N 3 1 279.428 2.013 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000423464155 281048080 /nfs/dbraw/zinc/04/80/80/281048080.db2.gz LWIPVCBGEYWMQL-NEPJUHHUSA-N 2 1 266.385 2.400 20 0 CEADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC[NH+]1CCCCC1 ZINC000336561924 288294126 /nfs/dbraw/zinc/29/41/26/288294126.db2.gz RYJYDMQNXSNIGH-HZPDHXFCSA-N 2 1 265.445 2.031 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)(C)COC)C[C@@H]1C ZINC000426418464 281192259 /nfs/dbraw/zinc/19/22/59/281192259.db2.gz XCLFPQINOPQOGE-KBPBESRZSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)(C)COC)C[C@@H]1C ZINC000426418464 281192260 /nfs/dbraw/zinc/19/22/60/281192260.db2.gz XCLFPQINOPQOGE-KBPBESRZSA-N 2 1 256.434 2.464 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC(C)(C)COC)C[C@@H]1C ZINC000426418464 281192257 /nfs/dbraw/zinc/19/22/57/281192257.db2.gz XCLFPQINOPQOGE-KBPBESRZSA-N 2 1 256.434 2.464 20 0 CEADMP CC[C@](C)(O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000364643677 281290482 /nfs/dbraw/zinc/29/04/82/281290482.db2.gz WRGYHHCQYFCIQW-ZFWWWQNUSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000364643677 281290483 /nfs/dbraw/zinc/29/04/83/281290483.db2.gz WRGYHHCQYFCIQW-ZFWWWQNUSA-N 2 1 254.418 2.096 20 0 CEADMP CC1CC[NH+](CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000431743733 281316017 /nfs/dbraw/zinc/31/60/17/281316017.db2.gz XVZZQXYHXOAFHG-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431854672 281322818 /nfs/dbraw/zinc/32/28/18/281322818.db2.gz PHEYMLAYCBKHKN-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000431854672 281322819 /nfs/dbraw/zinc/32/28/19/281322819.db2.gz PHEYMLAYCBKHKN-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000431854672 281322820 /nfs/dbraw/zinc/32/28/20/281322820.db2.gz PHEYMLAYCBKHKN-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](c2ccccc2)C1)C1CC1 ZINC000433044426 281361748 /nfs/dbraw/zinc/36/17/48/281361748.db2.gz MYBMCRSFOUIQNF-FUHWJXTLSA-N 2 1 288.435 2.321 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](c2ccccc2)C1)C1CC1 ZINC000433044426 281361750 /nfs/dbraw/zinc/36/17/50/281361750.db2.gz MYBMCRSFOUIQNF-FUHWJXTLSA-N 2 1 288.435 2.321 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](c2ccccc2)C1)C1CC1 ZINC000433044426 281361754 /nfs/dbraw/zinc/36/17/54/281361754.db2.gz MYBMCRSFOUIQNF-FUHWJXTLSA-N 2 1 288.435 2.321 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](c2ccccc2)C1)C1CC1 ZINC000433044426 281361756 /nfs/dbraw/zinc/36/17/56/281361756.db2.gz MYBMCRSFOUIQNF-FUHWJXTLSA-N 2 1 288.435 2.321 20 0 CEADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCOCC[NH3+])C1 ZINC000357094540 281372099 /nfs/dbraw/zinc/37/20/99/281372099.db2.gz YRIDUCFDRCUTFC-HUUCEWRRSA-N 2 1 262.397 2.148 20 0 CEADMP CC[N@H+](Cc1cccc(O)c1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435378148 281385805 /nfs/dbraw/zinc/38/58/05/281385805.db2.gz CFRJHNLJFVICML-CQSZACIVSA-N 2 1 278.396 2.365 20 0 CEADMP CC[N@@H+](Cc1cccc(O)c1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435378148 281385807 /nfs/dbraw/zinc/38/58/07/281385807.db2.gz CFRJHNLJFVICML-CQSZACIVSA-N 2 1 278.396 2.365 20 0 CEADMP CCCC[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435681454 281390990 /nfs/dbraw/zinc/39/09/90/281390990.db2.gz KILDCPQDDGRPBG-AWEZNQCLSA-N 2 1 276.428 2.164 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000347518531 282026715 /nfs/dbraw/zinc/02/67/15/282026715.db2.gz IIFGKKFJKNTOFQ-RBSFLKMASA-N 2 1 297.487 2.390 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CCCC23CCOCC3)CCOCC1 ZINC000374302298 282045886 /nfs/dbraw/zinc/04/58/86/282045886.db2.gz MSQKJLBNZFMBRT-HNNXBMFYSA-N 2 1 296.455 2.036 20 0 CEADMP CCOC(=O)N(C)C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000153465788 289114474 /nfs/dbraw/zinc/11/44/74/289114474.db2.gz JXTBUAPURQXHJL-UHFFFAOYSA-N 2 1 297.443 2.025 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCc3cn[nH]c3)C2)CC1 ZINC000459318640 290116086 /nfs/dbraw/zinc/11/60/86/290116086.db2.gz BYWBEWWQUWUOCR-KRWDZBQOSA-N 2 1 290.455 2.396 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCc3cn[nH]c3)C2)CC1 ZINC000459318640 290116088 /nfs/dbraw/zinc/11/60/88/290116088.db2.gz BYWBEWWQUWUOCR-KRWDZBQOSA-N 2 1 290.455 2.396 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@@H]1SC ZINC000459390694 290134720 /nfs/dbraw/zinc/13/47/20/290134720.db2.gz OYLBJUVRCRNXDS-MJBXVCDLSA-N 2 1 274.474 2.215 20 0 CEADMP CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000459409000 290140174 /nfs/dbraw/zinc/14/01/74/290140174.db2.gz NPJWLVQVKXXCRX-HUUCEWRRSA-N 2 1 265.401 2.146 20 0 CEADMP CC[NH+]1CCC(CC[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459418773 290142646 /nfs/dbraw/zinc/14/26/46/290142646.db2.gz JCPHKFCQHLHLMQ-UHFFFAOYSA-N 3 1 279.472 2.325 20 0 CEADMP CCS[C@H]1CCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000459467381 290157568 /nfs/dbraw/zinc/15/75/68/290157568.db2.gz RWIXVEBAQBSSRH-OLZOCXBDSA-N 2 1 253.415 2.226 20 0 CEADMP CC1(C)C[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000459602163 290192493 /nfs/dbraw/zinc/19/24/93/290192493.db2.gz YNBRKSKJQQSSCV-ZDUSSCGKSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCC(F)(F)F)[C@H]2CCC[C@H]21 ZINC000353527569 290217237 /nfs/dbraw/zinc/21/72/37/290217237.db2.gz DDBBWOBASCLUFO-OUAUKWLOSA-N 2 1 250.308 2.401 20 0 CEADMP Cc1ccc2nc(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)cn2c1 ZINC000459727970 290219298 /nfs/dbraw/zinc/21/92/98/290219298.db2.gz CGFMCXRNTFXJKC-OAHLLOKOSA-N 2 1 286.423 2.464 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C/C=C\c2ccncc2)C1 ZINC000459775934 290235652 /nfs/dbraw/zinc/23/56/52/290235652.db2.gz JPNJDVBZWSJCTD-ZENLRNHISA-N 2 1 259.397 2.416 20 0 CEADMP C(=C/c1ccncc1)\C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000486956790 290323807 /nfs/dbraw/zinc/32/38/07/290323807.db2.gz OSPXBFGMRMBMBO-BGTMTDRBSA-N 2 1 257.381 2.169 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1CCSC1 ZINC000487319312 290342199 /nfs/dbraw/zinc/34/21/99/290342199.db2.gz NTRATJLRPLYVHF-CYBMUJFWSA-N 2 1 253.415 2.314 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000488418172 290397022 /nfs/dbraw/zinc/39/70/22/290397022.db2.gz MYMOSFNHMPCEQM-QWHCGFSZSA-N 2 1 253.415 2.311 20 0 CEADMP C[C@H]1C[C@H]1C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000488543042 290408341 /nfs/dbraw/zinc/40/83/41/290408341.db2.gz JGUSNFBGUAOINM-GJZGRUSLSA-N 2 1 266.429 2.267 20 0 CEADMP COC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119693208 293035096 /nfs/dbraw/zinc/03/50/96/293035096.db2.gz KCESAWAUXOFDCE-MELADBBJSA-N 2 1 254.418 2.264 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C12CCC2 ZINC000344175018 294037006 /nfs/dbraw/zinc/03/70/06/294037006.db2.gz SFCFHTIZOXYNED-NIFZNCRKSA-N 2 1 266.429 2.262 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C12CCC2 ZINC000344175018 294037010 /nfs/dbraw/zinc/03/70/10/294037010.db2.gz SFCFHTIZOXYNED-NIFZNCRKSA-N 2 1 266.429 2.262 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCc3ccccc3[C@H]2C[NH3+])c1 ZINC000317360512 297496818 /nfs/dbraw/zinc/49/68/18/297496818.db2.gz FDYKYQMIJIOSMT-GOSISDBHSA-N 2 1 297.402 2.457 20 0 CEADMP c1cc2[nH+]ccc(N[C@@H]3CC[NH2+]C34CCC4)c2s1 ZINC000530174824 298044725 /nfs/dbraw/zinc/04/47/25/298044725.db2.gz BUXHOXXGBZKBJL-GFCCVEGCSA-N 2 1 259.378 2.415 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000530216581 298053441 /nfs/dbraw/zinc/05/34/41/298053441.db2.gz BRRIQPPRSPCUDD-XNRPHZJLSA-N 2 1 280.387 2.052 20 0 CEADMP OCc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000530220193 298055140 /nfs/dbraw/zinc/05/51/40/298055140.db2.gz JKGDXBWHVWGYBB-WMLDXEAASA-N 2 1 292.398 2.282 20 0 CEADMP OCc1ccc(F)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000530220193 298055142 /nfs/dbraw/zinc/05/51/42/298055142.db2.gz JKGDXBWHVWGYBB-WMLDXEAASA-N 2 1 292.398 2.282 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2c(c1)CCC(=O)N2 ZINC000530407496 298068880 /nfs/dbraw/zinc/06/88/80/298068880.db2.gz PNNPHMGLWGXLLB-LBPRGKRZSA-N 2 1 298.390 2.198 20 0 CEADMP CC[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677747 298115687 /nfs/dbraw/zinc/11/56/87/298115687.db2.gz RGJGNSIOGRYBHH-UONOGXRCSA-N 2 1 281.469 2.425 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1C ZINC000531965603 298126610 /nfs/dbraw/zinc/12/66/10/298126610.db2.gz DJEYXVGQBUUKRC-MQIPJXDCSA-N 2 1 278.444 2.338 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1C ZINC000531965603 298126612 /nfs/dbraw/zinc/12/66/12/298126612.db2.gz DJEYXVGQBUUKRC-MQIPJXDCSA-N 2 1 278.444 2.338 20 0 CEADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000194998581 298662033 /nfs/dbraw/zinc/66/20/33/298662033.db2.gz FHSOMOXRSNFPGS-IBEHDNSVSA-N 2 1 268.445 2.367 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)C1CC1 ZINC000562955965 298725490 /nfs/dbraw/zinc/72/54/90/298725490.db2.gz QDHLCLXHYDRFQF-BMFZPTHFSA-N 2 1 259.397 2.435 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000251108431 298784176 /nfs/dbraw/zinc/78/41/76/298784176.db2.gz ONRCEQOJVZUKGM-LTIDMASMSA-N 3 1 279.472 2.229 20 0 CEADMP Cc1cccc(CC[N@H+]2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000566912987 299029189 /nfs/dbraw/zinc/02/91/89/299029189.db2.gz YEMCJQONRCRERU-INIZCTEOSA-N 2 1 261.413 2.349 20 0 CEADMP Cc1cccc(CC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000566912987 299029191 /nfs/dbraw/zinc/02/91/91/299029191.db2.gz YEMCJQONRCRERU-INIZCTEOSA-N 2 1 261.413 2.349 20 0 CEADMP CCn1nc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c2ccccc21 ZINC000567352668 299056190 /nfs/dbraw/zinc/05/61/90/299056190.db2.gz KDSTZFRKHOZGKC-VXGBXAGGSA-N 2 1 260.385 2.272 20 0 CEADMP Cc1cccnc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334870080 302235731 /nfs/dbraw/zinc/23/57/31/302235731.db2.gz SRWKDLAMCZGPCG-HOCLYGCPSA-N 2 1 259.397 2.354 20 0 CEADMP CCc1ccc(C(C)(C)[NH2+]C[C@H](O)C[N@H+](C)CC)cc1 ZINC000517584704 313112645 /nfs/dbraw/zinc/11/26/45/313112645.db2.gz VZZRISNUONDQOC-INIZCTEOSA-N 2 1 278.440 2.386 20 0 CEADMP CCc1ccc(C(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)CC)cc1 ZINC000517584704 313112640 /nfs/dbraw/zinc/11/26/40/313112640.db2.gz VZZRISNUONDQOC-INIZCTEOSA-N 2 1 278.440 2.386 20 0 CEADMP CO[C@@H](Cc1ccccc1)CN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000522010719 313139876 /nfs/dbraw/zinc/13/98/76/313139876.db2.gz FMFKWZOUVWEGGT-KSZLIROESA-N 2 1 288.435 2.413 20 0 CEADMP CO[C@@H](Cc1ccccc1)CN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000522010719 313139879 /nfs/dbraw/zinc/13/98/79/313139879.db2.gz FMFKWZOUVWEGGT-KSZLIROESA-N 2 1 288.435 2.413 20 0 CEADMP CCC[C@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000522173331 313141884 /nfs/dbraw/zinc/14/18/84/313141884.db2.gz NBTKKFHNETYRMV-ZDUSSCGKSA-N 2 1 290.411 2.208 20 0 CEADMP CCc1cc(NC[C@H]2CC[N@H+]2C2CCCC2)cc[nH+]1 ZINC000528207295 313238879 /nfs/dbraw/zinc/23/88/79/313238879.db2.gz BTIGFMGOAJTGOH-MRXNPFEDSA-N 2 1 259.397 2.495 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000530225373 313284939 /nfs/dbraw/zinc/28/49/39/313284939.db2.gz YUXNOSDAYRBKKR-USXIJHARSA-N 2 1 292.398 2.067 20 0 CEADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000531936092 313333396 /nfs/dbraw/zinc/33/33/96/313333396.db2.gz BDZGEXDJBOGCIS-BBRMVZONSA-N 2 1 289.423 2.465 20 0 CEADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000531936092 313333400 /nfs/dbraw/zinc/33/34/00/313333400.db2.gz BDZGEXDJBOGCIS-BBRMVZONSA-N 2 1 289.423 2.465 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CCOCC1 ZINC000532473441 313349170 /nfs/dbraw/zinc/34/91/70/313349170.db2.gz OSDPTXSOSKQAIY-CABCVRRESA-N 2 1 254.418 2.121 20 0 CEADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1OC ZINC000532475036 313349244 /nfs/dbraw/zinc/34/92/44/313349244.db2.gz SZALGHLKCZNJAA-UKRRQHHQSA-N 2 1 292.423 2.319 20 0 CEADMP Cc1cnc(C)nc1NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000573576142 314170785 /nfs/dbraw/zinc/17/07/85/314170785.db2.gz IUQSKLCCKSPVPD-AWEZNQCLSA-N 2 1 296.418 2.374 20 0 CEADMP c1[nH]c(-c2ccccc2)nc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000576327829 314264150 /nfs/dbraw/zinc/26/41/50/314264150.db2.gz KGBSGJCPUAAQFF-CYBMUJFWSA-N 2 1 270.380 2.166 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000576526984 314284694 /nfs/dbraw/zinc/28/46/94/314284694.db2.gz MFWXQURDMLFUDU-TZMCWYRMSA-N 2 1 278.396 2.406 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000576526984 314284698 /nfs/dbraw/zinc/28/46/98/314284698.db2.gz MFWXQURDMLFUDU-TZMCWYRMSA-N 2 1 278.396 2.406 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000576695415 314301816 /nfs/dbraw/zinc/30/18/16/314301816.db2.gz OSDGKMIZQSUWAJ-MAUKXSAKSA-N 2 1 289.467 2.266 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000576884770 314319788 /nfs/dbraw/zinc/31/97/88/314319788.db2.gz LMUCMPUCTQLEMK-ILXRZTDVSA-N 2 1 270.461 2.494 20 0 CEADMP CC1(c2nc(C[NH3+])no2)CC[NH+](Cc2ccccc2)CC1 ZINC000579237602 314564046 /nfs/dbraw/zinc/56/40/46/314564046.db2.gz XBSJYGCIPFBBRR-UHFFFAOYSA-N 2 1 286.379 2.082 20 0 CEADMP C[C@H](NC[C@@H](c1ccco1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000386532164 321872009 /nfs/dbraw/zinc/87/20/09/321872009.db2.gz AUVNEZYNKWPCGN-IHRRRGAJSA-N 2 1 265.401 2.003 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C[C@H](C)O1 ZINC000580401515 322314939 /nfs/dbraw/zinc/31/49/39/322314939.db2.gz HTKLZHNEZBFLGN-QXSJWSMHSA-N 2 1 284.444 2.033 20 0 CEADMP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000580952489 322357235 /nfs/dbraw/zinc/35/72/35/322357235.db2.gz HECHQZTYROUYIB-GVDBMIGSSA-N 2 1 273.424 2.156 20 0 CEADMP COc1cc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)c(F)cn1 ZINC000581269406 322382971 /nfs/dbraw/zinc/38/29/71/322382971.db2.gz MZHMCYRJTDKJQG-NEPJUHHUSA-N 2 1 281.375 2.222 20 0 CEADMP COC(=O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000560936617 327353260 /nfs/dbraw/zinc/35/32/60/327353260.db2.gz WWPSMWIXNWHBMP-GOEBONIOSA-N 2 1 290.407 2.050 20 0 CEADMP COC(=O)C[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000560936617 327353262 /nfs/dbraw/zinc/35/32/62/327353262.db2.gz WWPSMWIXNWHBMP-GOEBONIOSA-N 2 1 290.407 2.050 20 0 CEADMP CC[NH+](CC)CC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000068117687 520578702 /nfs/dbraw/zinc/57/87/02/520578702.db2.gz FGAXXYOWUGQVIV-GASCZTMLSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000359243825 521476589 /nfs/dbraw/zinc/47/65/89/521476589.db2.gz OGFMNLPHLUIUFV-HUUCEWRRSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414331090 533898814 /nfs/dbraw/zinc/89/88/14/533898814.db2.gz JYNBCLQVVGXICA-DZGCQCFKSA-N 2 1 261.413 2.289 20 0 CEADMP c1ccc(COCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166761556 534488934 /nfs/dbraw/zinc/48/89/34/534488934.db2.gz OPWMOCYGDZWTEG-IAGOWNOFSA-N 2 1 274.408 2.420 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[N@@H+](C3CC3)CC2)c1C ZINC000067227395 521809819 /nfs/dbraw/zinc/80/98/19/521809819.db2.gz RCASHWIBRSNIPO-UHFFFAOYSA-N 2 1 289.423 2.377 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[N@H+](C3CC3)CC2)c1C ZINC000067227395 521809823 /nfs/dbraw/zinc/80/98/23/521809823.db2.gz RCASHWIBRSNIPO-UHFFFAOYSA-N 2 1 289.423 2.377 20 0 CEADMP [NH3+]CCOCC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000357068209 534637082 /nfs/dbraw/zinc/63/70/82/534637082.db2.gz DLYLVUNRCXIGGY-CYBMUJFWSA-N 2 1 268.788 2.105 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cnn(CC(F)(F)F)c2)C1 ZINC000442922357 534653355 /nfs/dbraw/zinc/65/33/55/534653355.db2.gz KRAUBYUHEYAWMR-LLVKDONJSA-N 2 1 290.333 2.006 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000155953627 524748595 /nfs/dbraw/zinc/74/85/95/524748595.db2.gz UZKWYAQSTOIALB-CBBWQLFWSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)[N@H+]1CCC[C@@H](C)C1 ZINC000155953627 524748604 /nfs/dbraw/zinc/74/86/04/524748604.db2.gz UZKWYAQSTOIALB-CBBWQLFWSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1ccnc(C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000363782251 525641362 /nfs/dbraw/zinc/64/13/62/525641362.db2.gz UHWRQZPGMWSQEJ-MRXNPFEDSA-N 2 1 288.439 2.449 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000357072348 527189115 /nfs/dbraw/zinc/18/91/15/527189115.db2.gz KRFVUQYGWZBVPM-AWEZNQCLSA-N 2 1 268.788 2.452 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCOC)[C@H](C)C1 ZINC000174770638 527752384 /nfs/dbraw/zinc/75/23/84/527752384.db2.gz RVBPXOVGMNIEHW-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCOC)[C@H](C)C1 ZINC000174770638 527752387 /nfs/dbraw/zinc/75/23/87/527752387.db2.gz RVBPXOVGMNIEHW-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCOC)[C@H](C)C1 ZINC000174770638 527752381 /nfs/dbraw/zinc/75/23/81/527752381.db2.gz RVBPXOVGMNIEHW-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP CC1(C)Cc2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)ccc2O1 ZINC000357056238 527773176 /nfs/dbraw/zinc/77/31/76/527773176.db2.gz SJWCAZWXPXIEMC-HOCLYGCPSA-N 2 1 286.419 2.441 20 0 CEADMP CC1(C)Cc2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)ccc2O1 ZINC000357056238 527773185 /nfs/dbraw/zinc/77/31/85/527773185.db2.gz SJWCAZWXPXIEMC-HOCLYGCPSA-N 2 1 286.419 2.441 20 0 CEADMP CC[N@H+]1CC[C@H](NCC(C)(C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000357856765 527880574 /nfs/dbraw/zinc/88/05/74/527880574.db2.gz UKYQLBYDBFAULS-HOTGVXAUSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000357856765 527880577 /nfs/dbraw/zinc/88/05/77/527880577.db2.gz UKYQLBYDBFAULS-HOTGVXAUSA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000357856765 527880582 /nfs/dbraw/zinc/88/05/82/527880582.db2.gz UKYQLBYDBFAULS-HOTGVXAUSA-N 3 1 281.488 2.428 20 0 CEADMP CC(C)COC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414686180 528080051 /nfs/dbraw/zinc/08/00/51/528080051.db2.gz FNXBKSGAWSLIRU-AWEZNQCLSA-N 2 1 256.434 2.497 20 0 CEADMP CCC[N@@H+](CCOCC[NH3+])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000357105293 528101946 /nfs/dbraw/zinc/10/19/46/528101946.db2.gz NUMDMIWQTHISRX-HZPDHXFCSA-N 2 1 298.471 2.412 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412053895 528105704 /nfs/dbraw/zinc/10/57/04/528105704.db2.gz GUKCVJXDOYPRKM-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CC[C@@H](C)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000357420800 529326912 /nfs/dbraw/zinc/32/69/12/529326912.db2.gz OKDMPSVYAOQDIJ-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccsc3C)C2)CC1 ZINC000295212699 535736710 /nfs/dbraw/zinc/73/67/10/535736710.db2.gz ATCUCGVOUKFANC-MRXNPFEDSA-N 2 1 293.480 2.268 20 0 CEADMP C[C@@H]1COCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678274531 538804616 /nfs/dbraw/zinc/80/46/16/538804616.db2.gz POYHIVDEJJOPBX-OAHLLOKOSA-N 2 1 292.423 2.238 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1cnc2ccccc2c1 ZINC000727465635 574452081 /nfs/dbraw/zinc/45/20/81/574452081.db2.gz GMBOGKBLMBBMGP-UHFFFAOYSA-N 2 1 287.407 2.293 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729545574 574489331 /nfs/dbraw/zinc/48/93/31/574489331.db2.gz WCTLMVQJBHCTRO-LZWOXQAQSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729545574 574489332 /nfs/dbraw/zinc/48/93/32/574489332.db2.gz WCTLMVQJBHCTRO-LZWOXQAQSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)CN1CCCC1 ZINC000734636770 574724839 /nfs/dbraw/zinc/72/48/39/574724839.db2.gz BELWQGVSCOAXKI-KBAYOESNSA-N 2 1 288.435 2.321 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000734636770 574724845 /nfs/dbraw/zinc/72/48/45/574724845.db2.gz BELWQGVSCOAXKI-KBAYOESNSA-N 2 1 288.435 2.321 20 0 CEADMP O[C@@H](C[NH2+]C1(c2ccccc2)CCC1)C[NH+]1CCCC1 ZINC000747668284 575173315 /nfs/dbraw/zinc/17/33/15/575173315.db2.gz ATUMNAAARXPLRM-INIZCTEOSA-N 2 1 274.408 2.112 20 0 CEADMP CC(C)[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000963564756 613942935 /nfs/dbraw/zinc/94/29/35/613942935.db2.gz VHDLFESYPKXLPX-GPANFISMSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)C(C)C)C1 ZINC000971843524 614093092 /nfs/dbraw/zinc/09/30/92/614093092.db2.gz JYNRJZTZMJQYMQ-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)C(C)C)C1 ZINC000971843524 614093094 /nfs/dbraw/zinc/09/30/94/614093094.db2.gz JYNRJZTZMJQYMQ-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC000971843524 614093096 /nfs/dbraw/zinc/09/30/96/614093096.db2.gz JYNRJZTZMJQYMQ-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948553069 614336875 /nfs/dbraw/zinc/33/68/75/614336875.db2.gz DGHGMWHVQQHUGB-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000948553069 614336878 /nfs/dbraw/zinc/33/68/78/614336878.db2.gz DGHGMWHVQQHUGB-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000948553069 614336881 /nfs/dbraw/zinc/33/68/81/614336881.db2.gz DGHGMWHVQQHUGB-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940843182 614375745 /nfs/dbraw/zinc/37/57/45/614375745.db2.gz YUJMYANFDKAIAW-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940843182 614375747 /nfs/dbraw/zinc/37/57/47/614375747.db2.gz YUJMYANFDKAIAW-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940843180 614386830 /nfs/dbraw/zinc/38/68/30/614386830.db2.gz YUJMYANFDKAIAW-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940843180 614386832 /nfs/dbraw/zinc/38/68/32/614386832.db2.gz YUJMYANFDKAIAW-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940843180 614386833 /nfs/dbraw/zinc/38/68/33/614386833.db2.gz YUJMYANFDKAIAW-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC)CC1 ZINC000948424453 614659453 /nfs/dbraw/zinc/65/94/53/614659453.db2.gz IRNZSLXGNPHVLT-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC)CC1 ZINC000948424453 614659455 /nfs/dbraw/zinc/65/94/55/614659455.db2.gz IRNZSLXGNPHVLT-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC)CC1 ZINC000948424453 614659456 /nfs/dbraw/zinc/65/94/56/614659456.db2.gz IRNZSLXGNPHVLT-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](C)CC)CC1 ZINC000948634062 614660278 /nfs/dbraw/zinc/66/02/78/614660278.db2.gz LSYKLZIELQUGFW-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC(C)C)CC1 ZINC000981283623 614676573 /nfs/dbraw/zinc/67/65/73/614676573.db2.gz ZCRUJTLFLKWPMP-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000981283623 614676576 /nfs/dbraw/zinc/67/65/76/614676576.db2.gz ZCRUJTLFLKWPMP-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000981283623 614676577 /nfs/dbraw/zinc/67/65/77/614676577.db2.gz ZCRUJTLFLKWPMP-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980485092 614910922 /nfs/dbraw/zinc/91/09/22/614910922.db2.gz FYVLYJJXGARQEU-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969792489 614969569 /nfs/dbraw/zinc/96/95/69/614969569.db2.gz JTTACXFHUXSYEG-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970927379 614969710 /nfs/dbraw/zinc/96/97/10/614969710.db2.gz CXNKORJVOQOWMB-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000968782090 614978740 /nfs/dbraw/zinc/97/87/40/614978740.db2.gz SJWWYTUAZJLQQZ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000968782090 614978741 /nfs/dbraw/zinc/97/87/41/614978741.db2.gz SJWWYTUAZJLQQZ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000948245251 614989740 /nfs/dbraw/zinc/98/97/40/614989740.db2.gz NZCJUHJVUZACHQ-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000948245251 614989743 /nfs/dbraw/zinc/98/97/43/614989743.db2.gz NZCJUHJVUZACHQ-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1)[NH+](C)C ZINC000960707516 615600949 /nfs/dbraw/zinc/60/09/49/615600949.db2.gz HZZHUCXDBXNQCS-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@H](C)C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000948855151 615655207 /nfs/dbraw/zinc/65/52/07/615655207.db2.gz YTJUQHFYRLMIOU-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP COC(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000933168475 623523196 /nfs/dbraw/zinc/52/31/96/623523196.db2.gz DSXNVOMSBSWXOG-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000933168475 623523198 /nfs/dbraw/zinc/52/31/98/623523198.db2.gz DSXNVOMSBSWXOG-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000093215454 623583660 /nfs/dbraw/zinc/58/36/60/623583660.db2.gz MSYCSDTZYPBQID-ZIAGYGMSSA-N 2 1 263.385 2.228 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C12CCC2 ZINC000308433178 623687928 /nfs/dbraw/zinc/68/79/28/623687928.db2.gz ZGOZRLUTJLJROF-OLMTUDMXSA-N 2 1 264.413 2.159 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000132849913 625679187 /nfs/dbraw/zinc/67/91/87/625679187.db2.gz VQJDZHDKCPMOAP-KBAYOESNSA-N 2 1 289.467 2.232 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNc2cc[nH+]cc2CO)c1 ZINC000891966239 624201152 /nfs/dbraw/zinc/20/11/52/624201152.db2.gz YQXXXUKRGQPXPO-UHFFFAOYSA-N 2 1 285.391 2.060 20 0 CEADMP CC[C@@H]1COC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926336276 624257742 /nfs/dbraw/zinc/25/77/42/624257742.db2.gz DVHLBIXAJBHFMZ-XSCHDIRWSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cn3ccnc3s2)C1 ZINC000892146840 624353335 /nfs/dbraw/zinc/35/33/35/624353335.db2.gz ZMSFXBXUUOUNEX-GFCCVEGCSA-N 2 1 278.425 2.169 20 0 CEADMP CS[C@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000235209646 625082244 /nfs/dbraw/zinc/08/22/44/625082244.db2.gz WKEWMKBKFGHMJM-STQMWFEESA-N 2 1 253.415 2.455 20 0 CEADMP CCC(C)(C)OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926560784 625088384 /nfs/dbraw/zinc/08/83/84/625088384.db2.gz WSROFDJLJRPXLU-MQVJKMGUSA-N 2 1 298.471 2.423 20 0 CEADMP CCn1cc(C[NH2+]CCC[N@@H+](C)C(C)C)c(C)n1 ZINC000892516591 625871571 /nfs/dbraw/zinc/87/15/71/625871571.db2.gz GNYJUUWYBUREMS-UHFFFAOYSA-N 2 1 252.406 2.031 20 0 CEADMP CCn1cc(C[NH2+]CCC[N@H+](C)C(C)C)c(C)n1 ZINC000892516591 625871558 /nfs/dbraw/zinc/87/15/58/625871558.db2.gz GNYJUUWYBUREMS-UHFFFAOYSA-N 2 1 252.406 2.031 20 0 CEADMP C[C@H](C[NH2+]Cc1cn(C)nc1C1CC1)C[NH+]1CCCC1 ZINC000892622093 627318513 /nfs/dbraw/zinc/31/85/13/627318513.db2.gz OEDVFDLLFBVJBA-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000892622322 627319086 /nfs/dbraw/zinc/31/90/86/627319086.db2.gz HUWOTHBSUBVPSQ-VXGBXAGGSA-N 2 1 286.217 2.345 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000892622321 627319198 /nfs/dbraw/zinc/31/91/98/627319198.db2.gz HUWOTHBSUBVPSQ-RYUDHWBXSA-N 2 1 286.217 2.345 20 0 CEADMP CC(C)C[NH+](CC(C)C)C[C@@H](O)C[NH+]1CCCC1 ZINC000310952312 627325647 /nfs/dbraw/zinc/32/56/47/627325647.db2.gz ODEWJYGBPDRMQW-HNNXBMFYSA-N 2 1 256.434 2.057 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346415 634585700 /nfs/dbraw/zinc/58/57/00/634585700.db2.gz LPSAPCSHCUQQKN-LSDHHAIUSA-N 2 1 267.461 2.229 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346415 634585706 /nfs/dbraw/zinc/58/57/06/634585706.db2.gz LPSAPCSHCUQQKN-LSDHHAIUSA-N 2 1 267.461 2.229 20 0 CEADMP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000924592811 627662682 /nfs/dbraw/zinc/66/26/82/627662682.db2.gz SGKWDKIRHSLALB-HOTGVXAUSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1cc(N)nc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)[nH+]1 ZINC000892703083 627693332 /nfs/dbraw/zinc/69/33/32/627693332.db2.gz JDPDXBNESJOSJO-HNNXBMFYSA-N 2 1 297.406 2.078 20 0 CEADMP Cc1cc(N)nc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)[nH+]1 ZINC000892703083 627693335 /nfs/dbraw/zinc/69/33/35/627693335.db2.gz JDPDXBNESJOSJO-HNNXBMFYSA-N 2 1 297.406 2.078 20 0 CEADMP C[C@H](CN1CCCCC1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902336461 634597530 /nfs/dbraw/zinc/59/75/30/634597530.db2.gz LRFCLXPHBAJPFV-CABCVRRESA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925503351 627995084 /nfs/dbraw/zinc/99/50/84/627995084.db2.gz MZVHGUQQVSWQQD-UTQGOSHXSA-N 2 1 291.483 2.083 20 0 CEADMP CC[C@H](CO)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000930459658 628003841 /nfs/dbraw/zinc/00/38/41/628003841.db2.gz HXMRHJHEGDGGDK-MSOLQXFVSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@H](CO)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000930459658 628003842 /nfs/dbraw/zinc/00/38/42/628003842.db2.gz HXMRHJHEGDGGDK-MSOLQXFVSA-N 2 1 288.435 2.355 20 0 CEADMP CC[C@H](CO)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000930459658 628003843 /nfs/dbraw/zinc/00/38/43/628003843.db2.gz HXMRHJHEGDGGDK-MSOLQXFVSA-N 2 1 288.435 2.355 20 0 CEADMP c1nc2ccccc2n1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925508195 628016976 /nfs/dbraw/zinc/01/69/76/628016976.db2.gz OXIWYPYKLPLBIZ-MRXNPFEDSA-N 2 1 284.407 2.301 20 0 CEADMP COc1cc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1C ZINC000925519519 628069862 /nfs/dbraw/zinc/06/98/62/628069862.db2.gz DCFSBQCPWPSLLN-MRXNPFEDSA-N 2 1 274.408 2.420 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000925519550 628071001 /nfs/dbraw/zinc/07/10/01/628071001.db2.gz SNXWSDWKBSEVJI-MRXNPFEDSA-N 2 1 273.424 2.169 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925530224 628129853 /nfs/dbraw/zinc/12/98/53/628129853.db2.gz PSMMBAUUBCNLTC-GDBMZVCRSA-N 2 1 263.429 2.396 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000925538105 628152376 /nfs/dbraw/zinc/15/23/76/628152376.db2.gz RJEUIOKBIWIMEV-YQQAZPJKSA-N 2 1 273.424 2.243 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](NCc2ccc(C[NH3+])cc2)C1 ZINC000902394584 634633511 /nfs/dbraw/zinc/63/35/11/634633511.db2.gz YYHRWNMYYQSSHA-HNNXBMFYSA-N 2 1 261.413 2.013 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925558735 628224183 /nfs/dbraw/zinc/22/41/83/628224183.db2.gz QUDJBILBXOIDCI-XUWVNRHRSA-N 2 1 279.472 2.227 20 0 CEADMP CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000312317516 628226075 /nfs/dbraw/zinc/22/60/75/628226075.db2.gz GTMUCQJTADXCLB-NWDGAFQWSA-N 2 1 294.361 2.106 20 0 CEADMP CC1(C)[C@H](C(F)(F)F)CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000312317516 628226077 /nfs/dbraw/zinc/22/60/77/628226077.db2.gz GTMUCQJTADXCLB-NWDGAFQWSA-N 2 1 294.361 2.106 20 0 CEADMP CCn1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925567210 628240045 /nfs/dbraw/zinc/24/00/45/628240045.db2.gz BGUMOAQQOBVNTE-JKSUJKDBSA-N 2 1 276.428 2.161 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)ncn1 ZINC000925626637 628320220 /nfs/dbraw/zinc/32/02/20/628320220.db2.gz RYAJSWGJOBMCNB-HOTGVXAUSA-N 2 1 274.412 2.043 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CCC(C)(C)CO1 ZINC000902428715 634649023 /nfs/dbraw/zinc/64/90/23/634649023.db2.gz HAAPOFSUMMOTBK-IHRRRGAJSA-N 2 1 254.418 2.312 20 0 CEADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925634145 628330464 /nfs/dbraw/zinc/33/04/64/628330464.db2.gz HEAIOHSXSKRVRN-KGLIPLIRSA-N 2 1 266.429 2.048 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCCCCC1 ZINC000310913765 628331530 /nfs/dbraw/zinc/33/15/30/628331530.db2.gz FRBMGDIUHNYJNL-HNNXBMFYSA-N 2 1 254.418 2.098 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCCCCC1 ZINC000310913765 628331534 /nfs/dbraw/zinc/33/15/34/628331534.db2.gz FRBMGDIUHNYJNL-HNNXBMFYSA-N 2 1 254.418 2.098 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cnn(CC3CCC3)c2)C12CCC2 ZINC000902428844 634650047 /nfs/dbraw/zinc/65/00/47/634650047.db2.gz BDHNWFJSFZOHHV-LSDHHAIUSA-N 2 1 274.412 2.043 20 0 CEADMP CN(C)C1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCC1 ZINC000925643638 628340641 /nfs/dbraw/zinc/34/06/41/628340641.db2.gz GQOCESSLYICMOQ-CVEARBPZSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1ccccc1 ZINC000925669301 628451746 /nfs/dbraw/zinc/45/17/46/628451746.db2.gz AAXJLHFSFXXYDG-VRKREXBASA-N 2 1 262.397 2.337 20 0 CEADMP Cc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000312732999 628493790 /nfs/dbraw/zinc/49/37/90/628493790.db2.gz SVEVVZLTXHKNHK-RDJZCZTQSA-N 2 1 274.408 2.435 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000925691483 628508160 /nfs/dbraw/zinc/50/81/60/628508160.db2.gz NGDQEVJTSMWSQJ-DRPJVOAASA-N 2 1 275.396 2.032 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000925697163 628532850 /nfs/dbraw/zinc/53/28/50/628532850.db2.gz YYQLQMVBFZFFPZ-DRPJVOAASA-N 2 1 275.396 2.032 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[C@H]1OC ZINC000902476025 634667699 /nfs/dbraw/zinc/66/76/99/634667699.db2.gz LZNSEXUAZDQSPH-XVIXHAIJSA-N 2 1 252.402 2.063 20 0 CEADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902448686 634672378 /nfs/dbraw/zinc/67/23/78/634672378.db2.gz GVUWSNSRQKXSOO-WBMJQRKESA-N 2 1 286.423 2.472 20 0 CEADMP CCn1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c(C)n1 ZINC000893589190 628763768 /nfs/dbraw/zinc/76/37/68/628763768.db2.gz ZMELUMGDFVYWTN-UHFFFAOYSA-N 2 1 278.444 2.423 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1CCCC(C)(C)O1)[C@@H]1CCC[NH2+]1 ZINC000902462681 634682003 /nfs/dbraw/zinc/68/20/03/634682003.db2.gz XKIRJDQMGHSLBE-MCIONIFRSA-N 2 1 254.418 2.454 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000925773265 628783380 /nfs/dbraw/zinc/78/33/80/628783380.db2.gz BIDDBRMVYDXLOP-STQMWFEESA-N 2 1 252.402 2.066 20 0 CEADMP C[N@H+](CCc1ccccc1F)CC[C@H]1CC[NH2+]C1 ZINC000258967318 628785957 /nfs/dbraw/zinc/78/59/57/628785957.db2.gz KATUUPMHGGDVMV-CYBMUJFWSA-N 2 1 250.361 2.300 20 0 CEADMP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cn1 ZINC000925782974 628813887 /nfs/dbraw/zinc/81/38/87/628813887.db2.gz BRNUPRZBVREDFZ-XUJVJEKNSA-N 2 1 265.376 2.363 20 0 CEADMP COc1cccc(C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C2CC2)c1 ZINC000925784495 628822763 /nfs/dbraw/zinc/82/27/63/628822763.db2.gz RCKGYMOCSOPEBC-CSMYWGQOSA-N 2 1 274.408 2.214 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC000902471346 634687411 /nfs/dbraw/zinc/68/74/11/634687411.db2.gz NRSRQIXCMPPHFL-YALNPMBYSA-N 2 1 272.392 2.035 20 0 CEADMP C1CC2(C1)CC[C@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925789626 628832131 /nfs/dbraw/zinc/83/21/31/628832131.db2.gz ASZYOPIOPZHSCD-UONOGXRCSA-N 2 1 264.413 2.067 20 0 CEADMP CC[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)C(C)C ZINC000925797716 628843872 /nfs/dbraw/zinc/84/38/72/628843872.db2.gz VDEFFSUBSYPFFU-ZIAGYGMSSA-N 2 1 254.418 2.169 20 0 CEADMP c1cn2c([nH+]1)CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)S3)C2 ZINC000925815091 628870377 /nfs/dbraw/zinc/87/03/77/628870377.db2.gz SYQARUJGPKUCPN-ODWCKFRGSA-N 2 1 263.410 2.214 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1NC1CCC(C)([NH+]2CCC2)CC1 ZINC000925860922 628961819 /nfs/dbraw/zinc/96/18/19/628961819.db2.gz MEDLJMDPEYLXBN-BBBYJDLNSA-N 2 1 265.445 2.124 20 0 CEADMP Cc1cc(F)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c(F)c1 ZINC000925874026 628973471 /nfs/dbraw/zinc/97/34/71/628973471.db2.gz GRICXQUTUYTGRC-JVLSTEMRSA-N 2 1 284.350 2.115 20 0 CEADMP Cn1nc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925874872 628974359 /nfs/dbraw/zinc/97/43/59/628974359.db2.gz WBNFKLPCUZANKE-ARFHVFGLSA-N 2 1 288.439 2.308 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902483231 634700934 /nfs/dbraw/zinc/70/09/34/634700934.db2.gz PPRPFQJVRLPPAT-CABCVRRESA-N 2 1 264.417 2.030 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](CC1CC[NH+](C)CC1)CC2 ZINC000893905390 629036911 /nfs/dbraw/zinc/03/69/11/629036911.db2.gz NTWICCWMXXURMI-UHFFFAOYSA-N 2 1 288.435 2.438 20 0 CEADMP Cc1ncoc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000894190296 629200385 /nfs/dbraw/zinc/20/03/85/629200385.db2.gz LXVRGJFMLYZBAE-UHFFFAOYSA-N 2 1 289.379 2.213 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)C(C)C ZINC000924908020 629243436 /nfs/dbraw/zinc/24/34/36/629243436.db2.gz FLKAEELLVWEZAS-DLBZAZTESA-N 2 1 292.471 2.451 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)C(C)C ZINC000924908020 629243438 /nfs/dbraw/zinc/24/34/38/629243438.db2.gz FLKAEELLVWEZAS-DLBZAZTESA-N 2 1 292.471 2.451 20 0 CEADMP C[C@H]1C[N@H+](Cc2scnc2C2CC2)CC[C@H]1[NH3+] ZINC000261921853 629321877 /nfs/dbraw/zinc/32/18/77/629321877.db2.gz KOXVDNANORFJPP-GXSJLCMTSA-N 2 1 251.399 2.190 20 0 CEADMP C[C@H]1C[N@@H+](Cc2scnc2C2CC2)CC[C@H]1[NH3+] ZINC000261921853 629321881 /nfs/dbraw/zinc/32/18/81/629321881.db2.gz KOXVDNANORFJPP-GXSJLCMTSA-N 2 1 251.399 2.190 20 0 CEADMP Cc1noc2ncc(C[NH2+][C@@H]3CCC[C@H]([NH+](C)C)C3)cc12 ZINC000894318096 629349629 /nfs/dbraw/zinc/34/96/29/629349629.db2.gz YMPYILDSAGTNFP-KGLIPLIRSA-N 2 1 288.395 2.494 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)CC1 ZINC000894485988 629488533 /nfs/dbraw/zinc/48/85/33/629488533.db2.gz ROWINNSILWSHRM-SJORKVTESA-N 2 1 280.456 2.467 20 0 CEADMP CC(C)CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000880134707 629489311 /nfs/dbraw/zinc/48/93/11/629489311.db2.gz UVGRRRXOLUMYJX-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)CCOCCN1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880134707 629489315 /nfs/dbraw/zinc/48/93/15/629489315.db2.gz UVGRRRXOLUMYJX-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+]1CCC(C[N@@H+](Cc2cccnc2)C2CC2)CC1 ZINC000894490344 629490504 /nfs/dbraw/zinc/49/05/04/629490504.db2.gz PRBVKVPVLBSFGW-UHFFFAOYSA-N 2 1 259.397 2.388 20 0 CEADMP Cc1ccnc(N)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000894780051 629637707 /nfs/dbraw/zinc/63/77/07/629637707.db2.gz VXMZQCJAWOQOFZ-HNNXBMFYSA-N 2 1 288.439 2.136 20 0 CEADMP C[N@@H+](CCCC[NH2+]C1CCC(C)(O)CC1)C1CC1 ZINC000894807703 629652746 /nfs/dbraw/zinc/65/27/46/629652746.db2.gz WALOBIIKBWORGY-UHFFFAOYSA-N 2 1 254.418 2.144 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795926875 629715628 /nfs/dbraw/zinc/71/56/28/629715628.db2.gz JBKSNBLLEKTJNX-AWEZNQCLSA-N 2 1 284.444 2.240 20 0 CEADMP CCCC[C@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925096500 629737855 /nfs/dbraw/zinc/73/78/55/629737855.db2.gz OCSFJLQEUULRGL-MGNMYUMUSA-N 2 1 298.471 2.423 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)CC1 ZINC000895081674 629869573 /nfs/dbraw/zinc/86/95/73/629869573.db2.gz JHPKKFXRLBTVIE-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CCNC(NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)=[NH+]CC ZINC000066244615 629922301 /nfs/dbraw/zinc/92/23/01/629922301.db2.gz KJUDXBGGQFIALF-CYBMUJFWSA-N 2 1 268.449 2.072 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C)(O)CC2)[C@@H]2CCC[C@H]21 ZINC000796799524 630011119 /nfs/dbraw/zinc/01/11/19/630011119.db2.gz QFKDORFUZUHLAR-KEPFICHZSA-N 2 1 266.429 2.142 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC1 ZINC000895204024 630032153 /nfs/dbraw/zinc/03/21/53/630032153.db2.gz CDUIIRJONFDMDW-UHFFFAOYSA-N 2 1 285.391 2.102 20 0 CEADMP C[C@H](CC[NH2+]Cc1cccc2c1CCOC2)[NH+](C)C ZINC000895290532 630083127 /nfs/dbraw/zinc/08/31/27/630083127.db2.gz KWWCMOHGOVLTPD-CYBMUJFWSA-N 2 1 262.397 2.189 20 0 CEADMP C[C@H](CC[NH2+]Cc1cnc2ccc(Cl)cn12)[NH+](C)C ZINC000895297456 630089686 /nfs/dbraw/zinc/08/96/86/630089686.db2.gz MJDVDTIYSLWZCI-LLVKDONJSA-N 2 1 280.803 2.418 20 0 CEADMP CC[C@](C)(C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)OC ZINC000895558579 630249882 /nfs/dbraw/zinc/24/98/82/630249882.db2.gz YIYFUNZFENHYML-GDBMZVCRSA-N 2 1 277.412 2.407 20 0 CEADMP c1cc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c(C2CC2)c[nH+]1 ZINC000895563891 630251469 /nfs/dbraw/zinc/25/14/69/630251469.db2.gz FLMBEDQMBDDWBJ-CVEARBPZSA-N 2 1 289.448 2.373 20 0 CEADMP CCC1([NH+](C)C)CCN(CC2CC[NH+](C)CC2)CC1 ZINC000895753992 630330880 /nfs/dbraw/zinc/33/08/80/630330880.db2.gz LSJOWLWBXHPZOY-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP C[NH+](C)CC[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1cccnc1 ZINC000895890923 630390062 /nfs/dbraw/zinc/39/00/62/630390062.db2.gz FCFBCPARNHQOCH-CQSZACIVSA-N 2 1 296.378 2.458 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000895972418 630424920 /nfs/dbraw/zinc/42/49/20/630424920.db2.gz WOFNHPHKWDVNQZ-AWEZNQCLSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)(C)[NH+]1CC[C@H]1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000895972418 630424922 /nfs/dbraw/zinc/42/49/22/630424922.db2.gz WOFNHPHKWDVNQZ-AWEZNQCLSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)(C)[NH+]1CC[C@H]1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000895972418 630424924 /nfs/dbraw/zinc/42/49/24/630424924.db2.gz WOFNHPHKWDVNQZ-AWEZNQCLSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H]1CCC[C@](C[NH2+]CC2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000054243460 630754987 /nfs/dbraw/zinc/75/49/87/630754987.db2.gz OIQXMFKUDIRAMG-RDJZCZTQSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@@H]1CCC[C@](C[NH2+]CC2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000054243459 630755111 /nfs/dbraw/zinc/75/51/11/630755111.db2.gz OIQXMFKUDIRAMG-WBVHZDCISA-N 3 1 281.488 2.428 20 0 CEADMP CCN(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000310545024 630933181 /nfs/dbraw/zinc/93/31/81/630933181.db2.gz RZZMTKLDYIDVSV-NWDGAFQWSA-N 2 1 256.415 2.020 20 0 CEADMP Cc1nn(C)cc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957147 630956709 /nfs/dbraw/zinc/95/67/09/630956709.db2.gz WKKONMFQGDQDCW-UHFFFAOYSA-N 2 1 276.428 2.036 20 0 CEADMP CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000985425351 631065928 /nfs/dbraw/zinc/06/59/28/631065928.db2.gz GSWGGSWWHSVOCF-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000985425351 631065930 /nfs/dbraw/zinc/06/59/30/631065930.db2.gz GSWGGSWWHSVOCF-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000985425351 631065936 /nfs/dbraw/zinc/06/59/36/631065936.db2.gz GSWGGSWWHSVOCF-INIZCTEOSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@]1(C[N@H+]2CCCC3(CCOCC3)C2)CCC[NH2+]C1 ZINC000904340568 635578822 /nfs/dbraw/zinc/57/88/22/635578822.db2.gz JJSWWZMZQZDRDV-OAHLLOKOSA-N 2 1 266.429 2.269 20 0 CEADMP CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000985600284 631156872 /nfs/dbraw/zinc/15/68/72/631156872.db2.gz VGECKEDMQHJJEE-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000985600284 631156876 /nfs/dbraw/zinc/15/68/76/631156876.db2.gz VGECKEDMQHJJEE-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000985600284 631156881 /nfs/dbraw/zinc/15/68/81/631156881.db2.gz VGECKEDMQHJJEE-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCCC[C@@H]1CCO ZINC000342071323 631503034 /nfs/dbraw/zinc/50/30/34/631503034.db2.gz XGDVIRATZXUFRU-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCCC[C@@H]1CCO ZINC000342071323 631503036 /nfs/dbraw/zinc/50/30/36/631503036.db2.gz XGDVIRATZXUFRU-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCCC[C@@H]1CCO ZINC000342071323 631503040 /nfs/dbraw/zinc/50/30/40/631503040.db2.gz XGDVIRATZXUFRU-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CN2CC[C@@H](C)C2=O)CC1 ZINC000839996975 631537066 /nfs/dbraw/zinc/53/70/66/631537066.db2.gz BUEQRARVFIMVFB-OAHLLOKOSA-N 2 1 295.471 2.256 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCSCC1 ZINC000237334301 631543719 /nfs/dbraw/zinc/54/37/19/631543719.db2.gz LCQWARHGPJARLB-NSHDSACASA-N 2 1 253.415 2.313 20 0 CEADMP CCN(CCC[NH+](CC)CC)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000897531102 631680535 /nfs/dbraw/zinc/68/05/35/631680535.db2.gz RNFHEBVNNLZIHW-KRWDZBQOSA-N 2 1 295.471 2.053 20 0 CEADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000806137985 631718433 /nfs/dbraw/zinc/71/84/33/631718433.db2.gz PYBWNHYUQLDLNC-BARDWOONSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000806137985 631718437 /nfs/dbraw/zinc/71/84/37/631718437.db2.gz PYBWNHYUQLDLNC-BARDWOONSA-N 2 1 266.429 2.264 20 0 CEADMP C1CCC2(C1)OCC[C@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000898110225 632054875 /nfs/dbraw/zinc/05/48/75/632054875.db2.gz DEXJHCGOWPYFNP-RBSFLKMASA-N 2 1 264.413 2.305 20 0 CEADMP Cc1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c(C)o1 ZINC000809735134 632134555 /nfs/dbraw/zinc/13/45/55/632134555.db2.gz YDYAOPVLUUUWQY-UHFFFAOYSA-N 2 1 293.455 2.354 20 0 CEADMP Cc1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c(C)o1 ZINC000809735134 632134558 /nfs/dbraw/zinc/13/45/58/632134558.db2.gz YDYAOPVLUUUWQY-UHFFFAOYSA-N 2 1 293.455 2.354 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCC=CO1 ZINC000809749703 632139909 /nfs/dbraw/zinc/13/99/09/632139909.db2.gz JKYWHWMVGCKBJB-HNNXBMFYSA-N 2 1 252.402 2.487 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)nc3ccccn32)[C@@H](C)C1 ZINC000898274896 632143200 /nfs/dbraw/zinc/14/32/00/632143200.db2.gz WZVQXACPXRCHIF-ZFWWWQNUSA-N 2 1 286.423 2.463 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)nc3ccccn32)[C@@H](C)C1 ZINC000898274896 632143204 /nfs/dbraw/zinc/14/32/04/632143204.db2.gz WZVQXACPXRCHIF-ZFWWWQNUSA-N 2 1 286.423 2.463 20 0 CEADMP CSC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+](C)CC1 ZINC000810252039 632199303 /nfs/dbraw/zinc/19/93/03/632199303.db2.gz GSKNWKPUHJIBFE-GOOCMWNKSA-N 3 1 297.512 2.029 20 0 CEADMP CSC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CC[NH+](C)CC1 ZINC000810252039 632199307 /nfs/dbraw/zinc/19/93/07/632199307.db2.gz GSKNWKPUHJIBFE-GOOCMWNKSA-N 2 1 297.512 2.029 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCC1 ZINC000322850193 632245090 /nfs/dbraw/zinc/24/50/90/632245090.db2.gz PFTLYMXDUCEEBH-ILXRZTDVSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCC1 ZINC000322850193 632245095 /nfs/dbraw/zinc/24/50/95/632245095.db2.gz PFTLYMXDUCEEBH-ILXRZTDVSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1(Br)CC1 ZINC000924647376 632387449 /nfs/dbraw/zinc/38/74/49/632387449.db2.gz JKYGTNPCUPQXSK-GHMZBOCLSA-N 2 1 287.245 2.376 20 0 CEADMP CCO[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)C[NH+](C)C ZINC000926964950 632394840 /nfs/dbraw/zinc/39/48/40/632394840.db2.gz YLNSTRNXVRRFNX-WDEREUQCSA-N 2 1 266.376 2.223 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H](C)c1cccc(O)c1)CN(C)C ZINC000926966988 632396763 /nfs/dbraw/zinc/39/67/63/632396763.db2.gz YZKOGGRQJHEGSB-WFASDCNBSA-N 2 1 266.385 2.010 20 0 CEADMP CCO[C@H](C[NH2+][C@@H](C)c1ccc(OC)c(F)c1)CN(C)C ZINC000926966936 632397228 /nfs/dbraw/zinc/39/72/28/632397228.db2.gz YXSMEYHBHIDPKO-GXTWGEPZSA-N 2 1 298.402 2.452 20 0 CEADMP COCCN(C)CCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000924654647 632397627 /nfs/dbraw/zinc/39/76/27/632397627.db2.gz DSPYCYDNAOFKOB-QGZVFWFLSA-N 2 1 291.439 2.481 20 0 CEADMP CC[N@@H+]1CCCC[C@@H]1C(=O)OCC[C@@H]1CCCC[NH+]1C ZINC000840236260 632409768 /nfs/dbraw/zinc/40/97/68/632409768.db2.gz SNHVVUMXEFEVDO-LSDHHAIUSA-N 2 1 282.428 2.278 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)OCC[C@@H]1CCCC[NH+]1C ZINC000840236260 632409771 /nfs/dbraw/zinc/40/97/71/632409771.db2.gz SNHVVUMXEFEVDO-LSDHHAIUSA-N 2 1 282.428 2.278 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000840236260 632409778 /nfs/dbraw/zinc/40/97/78/632409778.db2.gz SNHVVUMXEFEVDO-LSDHHAIUSA-N 2 1 282.428 2.278 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000840236260 632409783 /nfs/dbraw/zinc/40/97/83/632409783.db2.gz SNHVVUMXEFEVDO-LSDHHAIUSA-N 2 1 282.428 2.278 20 0 CEADMP CON1CCC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000924686042 632418563 /nfs/dbraw/zinc/41/85/63/632418563.db2.gz KCNVJVIAMXBHIS-OAHLLOKOSA-N 2 1 283.460 2.256 20 0 CEADMP CC[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000873281615 632424063 /nfs/dbraw/zinc/42/40/63/632424063.db2.gz MQBUQFSKSFJTGX-IUCAKERBSA-N 2 1 290.276 2.278 20 0 CEADMP CC(C)CC[NH+]1CCC(N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000924740975 632603032 /nfs/dbraw/zinc/60/30/32/632603032.db2.gz FUGYDOYKYXIKKH-INIZCTEOSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCCN(C)C2)CC1 ZINC000924740975 632603035 /nfs/dbraw/zinc/60/30/35/632603035.db2.gz FUGYDOYKYXIKKH-INIZCTEOSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+](C)C1(C)CCC(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000899175157 632728261 /nfs/dbraw/zinc/72/82/61/632728261.db2.gz TYUWUUNMKJAMLY-UUCFBXCCSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000924753878 632780938 /nfs/dbraw/zinc/78/09/38/632780938.db2.gz SRZAPDRNFSGXED-UHFFFAOYSA-N 2 1 264.417 2.020 20 0 CEADMP Cc1ccccc1OCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000817880019 633750294 /nfs/dbraw/zinc/75/02/94/633750294.db2.gz JBJMMDUAKHMMQW-UHFFFAOYSA-N 2 1 260.381 2.202 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000817880374 633750344 /nfs/dbraw/zinc/75/03/44/633750344.db2.gz QRHQRXXQXVPXIG-RBSFLKMASA-N 3 1 255.450 2.201 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000817891048 633753220 /nfs/dbraw/zinc/75/32/20/633753220.db2.gz FCXQCSSCTGPITN-NWDGAFQWSA-N 2 1 253.777 2.485 20 0 CEADMP CCc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[nH]n1 ZINC000817892840 633755187 /nfs/dbraw/zinc/75/51/87/633755187.db2.gz QCPMAPPYXWTAAP-BZUAXINKSA-N 2 1 276.428 2.373 20 0 CEADMP C[C@H]([NH2+]C[C@H]1COc2ccccc2C1)c1c[nH+]ccc1N ZINC000817892894 633756132 /nfs/dbraw/zinc/75/61/32/633756132.db2.gz WOFJSTSANUAFHU-STQMWFEESA-N 2 1 283.375 2.396 20 0 CEADMP C[C@H]([NH2+]CCCOc1ccccc1F)[C@H]1CCC[NH2+]1 ZINC000817898582 633759029 /nfs/dbraw/zinc/75/90/29/633759029.db2.gz JMPNWUYCXKEHKC-GXTWGEPZSA-N 2 1 266.360 2.325 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[N@H+]1CCC[C@@H]1C ZINC000817912966 633770472 /nfs/dbraw/zinc/77/04/72/633770472.db2.gz LDGWORGNZMYZHN-OWCLPIDISA-N 2 1 267.461 2.371 20 0 CEADMP CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccco1)[C@@H]1CCC[NH2+]1 ZINC000817913396 633770675 /nfs/dbraw/zinc/77/06/75/633770675.db2.gz OMAVHGOVHRYBLL-XDQVBPFNSA-N 2 1 266.385 2.212 20 0 CEADMP C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000817912661 633771432 /nfs/dbraw/zinc/77/14/32/633771432.db2.gz KZBPUYLGSCQHGT-UHIISALHSA-N 2 1 275.352 2.250 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])N1CCCCC1 ZINC000817913912 633771962 /nfs/dbraw/zinc/77/19/62/633771962.db2.gz QNRHHVNMTMBPLF-RBSFLKMASA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCC[N@H+]1CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817914209 633773482 /nfs/dbraw/zinc/77/34/82/633773482.db2.gz UZQJXGWXHMJLRY-WQVCFCJDSA-N 2 1 259.397 2.205 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000817916474 633774854 /nfs/dbraw/zinc/77/48/54/633774854.db2.gz FHNXPUBDWOJFKU-BMFZPTHFSA-N 2 1 274.408 2.088 20 0 CEADMP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[C@H]1[NH3+])CCC2 ZINC000817921730 633779041 /nfs/dbraw/zinc/77/90/41/633779041.db2.gz HPUJSDWFZSYMBK-JFGNBEQYSA-N 2 1 251.399 2.298 20 0 CEADMP C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1c[nH+]ccc1N ZINC000817923552 633780290 /nfs/dbraw/zinc/78/02/90/633780290.db2.gz BJXAQNQMOILWJF-SUMWQHHRSA-N 2 1 285.391 2.443 20 0 CEADMP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000817953615 633797715 /nfs/dbraw/zinc/79/77/15/633797715.db2.gz PNNFPNZRJSHELC-GXSJLCMTSA-N 2 1 250.308 2.449 20 0 CEADMP COCc1cc([C@@H](C)[NH2+]CC2([NH3+])CCC2)ccc1OC ZINC000817964444 633806951 /nfs/dbraw/zinc/80/69/51/633806951.db2.gz CWXHDFZAYSYYSF-GFCCVEGCSA-N 2 1 278.396 2.374 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc2c(c1)CCO2 ZINC000817981538 633824844 /nfs/dbraw/zinc/82/48/44/633824844.db2.gz SZICGTCICSXXNI-JKSUJKDBSA-N 2 1 290.407 2.041 20 0 CEADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000818973308 634023884 /nfs/dbraw/zinc/02/38/84/634023884.db2.gz UVFLMGXTPDBSAN-LRDDRELGSA-N 2 1 294.826 2.447 20 0 CEADMP COc1ccccc1-c1cc(C[N@H+](C)CCC[NH3+])on1 ZINC000901384864 634082177 /nfs/dbraw/zinc/08/21/77/634082177.db2.gz GZGIFTAIOQBCFB-UHFFFAOYSA-N 2 1 275.352 2.131 20 0 CEADMP COc1ccccc1-c1cc(C[N@@H+](C)CCC[NH3+])on1 ZINC000901384864 634082182 /nfs/dbraw/zinc/08/21/82/634082182.db2.gz GZGIFTAIOQBCFB-UHFFFAOYSA-N 2 1 275.352 2.131 20 0 CEADMP C[C@H](CC[NH2+]C[C@@H](O)c1ccc(F)cn1)[NH+]1CCCCC1 ZINC000819230659 634111240 /nfs/dbraw/zinc/11/12/40/634111240.db2.gz KODFRWGRYODQLU-CZUORRHYSA-N 2 1 295.402 2.108 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000819309104 634134437 /nfs/dbraw/zinc/13/44/37/634134437.db2.gz KXASILSQJCHNFI-HOTGVXAUSA-N 2 1 276.424 2.258 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000819309104 634134443 /nfs/dbraw/zinc/13/44/43/634134443.db2.gz KXASILSQJCHNFI-HOTGVXAUSA-N 2 1 276.424 2.258 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@H](O)c1c(F)cccc1F)C1CC1 ZINC000819361902 634155525 /nfs/dbraw/zinc/15/55/25/634155525.db2.gz LNOMSDGEIPHYIH-HNNXBMFYSA-N 2 1 298.377 2.462 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2ccccc2F)C1 ZINC000819366028 634157118 /nfs/dbraw/zinc/15/71/18/634157118.db2.gz HFPNJNJDCOCLOX-CJNGLKHVSA-N 2 1 280.387 2.181 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902790837 634834999 /nfs/dbraw/zinc/83/49/99/634834999.db2.gz SDUOWFPTGVXXDS-OSLXHZNNSA-N 2 1 266.429 2.120 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902790837 634835002 /nfs/dbraw/zinc/83/50/02/634835002.db2.gz SDUOWFPTGVXXDS-OSLXHZNNSA-N 2 1 266.429 2.120 20 0 CEADMP CC(C)C[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CCOCC1 ZINC000902957211 634912870 /nfs/dbraw/zinc/91/28/70/634912870.db2.gz HMIKKVZLFQNLMJ-MRXNPFEDSA-N 2 1 279.428 2.394 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903171534 634997552 /nfs/dbraw/zinc/99/75/52/634997552.db2.gz HVWWTZGCAPWYFK-ZBSSRIJBSA-N 2 1 279.472 2.463 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903171534 634997554 /nfs/dbraw/zinc/99/75/54/634997554.db2.gz HVWWTZGCAPWYFK-ZBSSRIJBSA-N 2 1 279.472 2.463 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903171534 634997556 /nfs/dbraw/zinc/99/75/56/634997556.db2.gz HVWWTZGCAPWYFK-ZBSSRIJBSA-N 2 1 279.472 2.463 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2CCCO)CC1 ZINC000924788376 634999317 /nfs/dbraw/zinc/99/93/17/634999317.db2.gz MSAWYMIDUMEEGZ-DOTOQJQBSA-N 2 1 298.471 2.018 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C3(O)CCC3)CC2)[C@H]2CCC[C@@H]21 ZINC000903257575 635032102 /nfs/dbraw/zinc/03/21/02/635032102.db2.gz HPQNIOKHFHMYJH-ILXRZTDVSA-N 2 1 278.440 2.144 20 0 CEADMP C1C[C@H]2CC([NH2+][C@@H]3C[N@@H+]4C[C@@H]3CCC4)C[C@@H]1S2 ZINC000903274102 635040739 /nfs/dbraw/zinc/04/07/39/635040739.db2.gz RBBLLHHFDMZSFX-APYLGABCSA-N 2 1 252.427 2.097 20 0 CEADMP C1C[C@H]2CC([NH2+][C@@H]3C[N@H+]4C[C@@H]3CCC4)C[C@@H]1S2 ZINC000903274102 635040746 /nfs/dbraw/zinc/04/07/46/635040746.db2.gz RBBLLHHFDMZSFX-APYLGABCSA-N 2 1 252.427 2.097 20 0 CEADMP C[C@@H]1CC2(CC([NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)C2)CO1 ZINC000903281956 635042613 /nfs/dbraw/zinc/04/26/13/635042613.db2.gz JGSDZEYRJGNBBA-KWXFLVIGSA-N 2 1 278.440 2.406 20 0 CEADMP C[C@H]1[C@H](NC2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1C ZINC000903302029 635048908 /nfs/dbraw/zinc/04/89/08/635048908.db2.gz XJMHQJNENSCKKG-WMLDXEAASA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H]1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1C ZINC000903302029 635048915 /nfs/dbraw/zinc/04/89/15/635048915.db2.gz XJMHQJNENSCKKG-WMLDXEAASA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000903438710 635117993 /nfs/dbraw/zinc/11/79/93/635117993.db2.gz ZWQCPNAVYOGWCG-HFTRVMKXSA-N 2 1 288.435 2.214 20 0 CEADMP CC[N@@H+](C[C@H](O)c1ccc(C)cc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439966 635119121 /nfs/dbraw/zinc/11/91/21/635119121.db2.gz RTUAHDZHLVYPAG-PVAVHDDUSA-N 2 1 276.424 2.206 20 0 CEADMP CC[N@@H+](C[C@H](O)c1ccc(C)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440414 635119765 /nfs/dbraw/zinc/11/97/65/635119765.db2.gz WYRJJEKVCOTQEY-PVAVHDDUSA-N 2 1 276.424 2.478 20 0 CEADMP Cn1nc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1C(F)(F)F ZINC000903425143 635123934 /nfs/dbraw/zinc/12/39/34/635123934.db2.gz UOVOFDUKHLMQPA-UHFFFAOYSA-N 2 1 290.333 2.141 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)C1 ZINC000903460998 635126256 /nfs/dbraw/zinc/12/62/56/635126256.db2.gz LJOAVQLQYMBJSF-XQLPTFJDSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000903464295 635128575 /nfs/dbraw/zinc/12/85/75/635128575.db2.gz HOQAXJRIDLMPLX-HLLBOEOZSA-N 2 1 273.424 2.053 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000903442217 635128626 /nfs/dbraw/zinc/12/86/26/635128626.db2.gz KZPHHPYDOLSOLE-TVFCKZIOSA-N 2 1 293.499 2.428 20 0 CEADMP CN1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)Cc2ccccc21 ZINC000903444213 635130857 /nfs/dbraw/zinc/13/08/57/635130857.db2.gz PVQDLCYJXVUIDJ-HIFRSBDPSA-N 2 1 259.397 2.066 20 0 CEADMP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)C[C@@H]21 ZINC000903453537 635137042 /nfs/dbraw/zinc/13/70/42/635137042.db2.gz ASNKKLSZDWFFLP-YIYPIFLZSA-N 2 1 270.367 2.353 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C(C)C ZINC000903454043 635137818 /nfs/dbraw/zinc/13/78/18/635137818.db2.gz SKASPAZPHAQGHJ-JYJNAYRXSA-N 2 1 268.445 2.227 20 0 CEADMP COc1ccc(OCCC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903469265 635141543 /nfs/dbraw/zinc/14/15/43/635141543.db2.gz SJLFRXKZMCNWIN-INIZCTEOSA-N 2 1 290.407 2.338 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000903471992 635142770 /nfs/dbraw/zinc/14/27/70/635142770.db2.gz ONSYLQCWKXSXKC-KGLIPLIRSA-N 2 1 252.402 2.066 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@H]1CCC2(CCC2)O1 ZINC000903481885 635149842 /nfs/dbraw/zinc/14/98/42/635149842.db2.gz PNXMRAANQCOUAW-KGLIPLIRSA-N 2 1 264.413 2.352 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)nc1 ZINC000903484693 635152388 /nfs/dbraw/zinc/15/23/88/635152388.db2.gz VJWNDBSSDWNEBX-OAHLLOKOSA-N 2 1 259.397 2.197 20 0 CEADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903500108 635153990 /nfs/dbraw/zinc/15/39/90/635153990.db2.gz SMBQZQIMDRVNJU-RBSFLKMASA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)=CCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903505848 635154294 /nfs/dbraw/zinc/15/42/94/635154294.db2.gz JLBSVIORQITYCP-CALCHBBNSA-N 2 1 277.456 2.243 20 0 CEADMP CC(C)=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505848 635154298 /nfs/dbraw/zinc/15/42/98/635154298.db2.gz JLBSVIORQITYCP-CALCHBBNSA-N 2 1 277.456 2.243 20 0 CEADMP CC(C)=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505848 635154304 /nfs/dbraw/zinc/15/43/04/635154304.db2.gz JLBSVIORQITYCP-CALCHBBNSA-N 2 1 277.456 2.243 20 0 CEADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903494879 635158179 /nfs/dbraw/zinc/15/81/79/635158179.db2.gz OKYBOCDITJFJNM-RBSFLKMASA-N 2 1 289.423 2.239 20 0 CEADMP c1csc(C[C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903565185 635164782 /nfs/dbraw/zinc/16/47/82/635164782.db2.gz FNCZEDPDIZAERS-UONOGXRCSA-N 2 1 279.453 2.397 20 0 CEADMP C[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCCCC1 ZINC000903717120 635232094 /nfs/dbraw/zinc/23/20/94/635232094.db2.gz HDMCZVJCLJRNTH-CABCVRRESA-N 2 1 252.402 2.020 20 0 CEADMP C[N@H+](Cc1cccc(F)c1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717994 635233305 /nfs/dbraw/zinc/23/33/05/635233305.db2.gz GYMHDEQAIYSJIW-CVEARBPZSA-N 2 1 278.371 2.026 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718346 635233992 /nfs/dbraw/zinc/23/39/92/635233992.db2.gz KZBHLGXMMPPWIG-HYVNUMGLSA-N 2 1 274.408 2.448 20 0 CEADMP CC(C)CC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903721816 635234958 /nfs/dbraw/zinc/23/49/58/635234958.db2.gz FIFFUNWDQVXERU-HOTGVXAUSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729202 635241134 /nfs/dbraw/zinc/24/11/34/635241134.db2.gz KSIJFDXCWFBWCD-KBRIMQKVSA-N 2 1 290.407 2.154 20 0 CEADMP CC[C@]1(C)CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903730130 635242444 /nfs/dbraw/zinc/24/24/44/635242444.db2.gz UKFPEKRTDDEQLC-BZUAXINKSA-N 2 1 266.429 2.267 20 0 CEADMP c1csc(C[NH+]2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC000903733210 635245564 /nfs/dbraw/zinc/24/55/64/635245564.db2.gz LARYUTBDHOZXIC-OAHLLOKOSA-N 2 1 293.480 2.255 20 0 CEADMP CC(C)c1ccccc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000903716225 635245746 /nfs/dbraw/zinc/24/57/46/635245746.db2.gz JWBHIXOAWVJDHU-UHFFFAOYSA-N 2 1 275.440 2.147 20 0 CEADMP C[C@H]1CCC[N@@H+](CCOC2CCSCC2)[C@H]1CC[NH3+] ZINC000903762866 635257186 /nfs/dbraw/zinc/25/71/86/635257186.db2.gz FTOIJQRAHPDQKY-ZFWWWQNUSA-N 2 1 286.485 2.348 20 0 CEADMP C[C@@H]1CC(F)(F)CC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903769370 635259983 /nfs/dbraw/zinc/25/99/83/635259983.db2.gz DXAJJWZIGPINMI-OLZOCXBDSA-N 2 1 288.382 2.265 20 0 CEADMP Oc1cccc2c1CC[N@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903771571 635260595 /nfs/dbraw/zinc/26/05/95/635260595.db2.gz YFFMJNZESAEOIT-CYBMUJFWSA-N 2 1 260.381 2.140 20 0 CEADMP Oc1cccc2c1CC[N@@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903771571 635260598 /nfs/dbraw/zinc/26/05/98/635260598.db2.gz YFFMJNZESAEOIT-CYBMUJFWSA-N 2 1 260.381 2.140 20 0 CEADMP CCc1nnc([C@H](C)[NH+]2CCC(C(C)(C)C[NH3+])CC2)[nH]1 ZINC000903791456 635263685 /nfs/dbraw/zinc/26/36/85/635263685.db2.gz XYNZTSZFNAIHMX-NSHDSACASA-N 2 1 279.432 2.125 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000903788016 635269621 /nfs/dbraw/zinc/26/96/21/635269621.db2.gz AFQJKSWKPGPRQY-OCCSQVGLSA-N 2 1 264.417 2.189 20 0 CEADMP CC(C)(C)OC[C@H]1CCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903785886 635269957 /nfs/dbraw/zinc/26/99/57/635269957.db2.gz AOTSSGULSUIHQK-BFYDXBDKSA-N 2 1 296.455 2.035 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]2CC[C@@]21CN)C1CCC1 ZINC000903798889 635276358 /nfs/dbraw/zinc/27/63/58/635276358.db2.gz BDUSUSYAYBKUHI-RRFJBIMHSA-N 2 1 252.402 2.005 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+])C1CCC1 ZINC000903798889 635276364 /nfs/dbraw/zinc/27/63/64/635276364.db2.gz BDUSUSYAYBKUHI-RRFJBIMHSA-N 2 1 252.402 2.005 20 0 CEADMP CCn1cc(CC[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)cn1 ZINC000903811081 635284285 /nfs/dbraw/zinc/28/42/85/635284285.db2.gz JJMFVSDNABSHOD-MRXNPFEDSA-N 2 1 290.455 2.429 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@@H]2CCCC[NH2+]C2)CCC1 ZINC000903810356 635285198 /nfs/dbraw/zinc/28/51/98/635285198.db2.gz BKEWTYLTVQHRHC-CVEARBPZSA-N 3 1 279.472 2.360 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@@H]2CCCC[NH2+]C2)CCC1 ZINC000903810356 635285199 /nfs/dbraw/zinc/28/51/99/635285199.db2.gz BKEWTYLTVQHRHC-CVEARBPZSA-N 3 1 279.472 2.360 20 0 CEADMP Cc1nccnc1C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903813066 635286587 /nfs/dbraw/zinc/28/65/87/635286587.db2.gz YFMNTISMGOGZPX-HNNXBMFYSA-N 2 1 274.412 2.269 20 0 CEADMP Cc1noc(C[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903824575 635292144 /nfs/dbraw/zinc/29/21/44/635292144.db2.gz RAKSYZZVHYXNHH-CABCVRRESA-N 2 1 292.427 2.022 20 0 CEADMP Cc1noc(C[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903824578 635292229 /nfs/dbraw/zinc/29/22/29/635292229.db2.gz RAKSYZZVHYXNHH-LSDHHAIUSA-N 2 1 292.427 2.022 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C2 ZINC000903839033 635298623 /nfs/dbraw/zinc/29/86/23/635298623.db2.gz HLCSCWXHRXKZGE-AVNXNWIJSA-N 2 1 298.789 2.324 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C2 ZINC000903839033 635298626 /nfs/dbraw/zinc/29/86/26/635298626.db2.gz HLCSCWXHRXKZGE-AVNXNWIJSA-N 2 1 298.789 2.324 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc3c1CCOC3)C2 ZINC000903841445 635299625 /nfs/dbraw/zinc/29/96/25/635299625.db2.gz DBISSFRNSCRTFL-MAZHCROVSA-N 2 1 272.392 2.071 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cncc(Cl)c1)C2 ZINC000903842817 635301065 /nfs/dbraw/zinc/30/10/65/635301065.db2.gz VQFHLCBBPNUZRJ-XDTLVQLUSA-N 2 1 251.761 2.047 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cncc(Cl)c1)C2 ZINC000903842817 635301072 /nfs/dbraw/zinc/30/10/72/635301072.db2.gz VQFHLCBBPNUZRJ-XDTLVQLUSA-N 2 1 251.761 2.047 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1ccccc1F)C2 ZINC000903850670 635303794 /nfs/dbraw/zinc/30/37/94/635303794.db2.gz XCPJCUOSQWTDPD-AVGNSLFASA-N 2 1 264.344 2.016 20 0 CEADMP CC1(C)CC[C@H](C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])OC1 ZINC000903856582 635307697 /nfs/dbraw/zinc/30/76/97/635307697.db2.gz ADWWWSOIRIUUNW-UMVBOHGHSA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])OC1 ZINC000903856582 635307703 /nfs/dbraw/zinc/30/77/03/635307703.db2.gz ADWWWSOIRIUUNW-UMVBOHGHSA-N 2 1 252.402 2.005 20 0 CEADMP CC(C)(C)[C@@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903914924 635329571 /nfs/dbraw/zinc/32/95/71/635329571.db2.gz MFECEZNKVLKFHZ-KGLIPLIRSA-N 2 1 291.443 2.071 20 0 CEADMP CC[C@@H]1CCCCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903895066 635330567 /nfs/dbraw/zinc/33/05/67/635330567.db2.gz KNFYWSBFDQFILB-CABCVRRESA-N 2 1 291.443 2.357 20 0 CEADMP Oc1ccc2c(c1)CC[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000903902961 635338886 /nfs/dbraw/zinc/33/88/86/635338886.db2.gz CXRNOLHQYBMQMS-FUCXHRTASA-N 2 1 286.419 2.323 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000903915523 635340716 /nfs/dbraw/zinc/34/07/16/635340716.db2.gz OSBMGKJXXWNGCA-KBPBESRZSA-N 2 1 291.443 2.071 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H](C)CC(C)(C)C2)cnn1C ZINC000903908115 635342816 /nfs/dbraw/zinc/34/28/16/635342816.db2.gz CZQGCKQKABFZEH-DZGCQCFKSA-N 2 1 292.471 2.214 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903909375 635342884 /nfs/dbraw/zinc/34/28/84/635342884.db2.gz UJBGSMBWAIZPQX-KRWDZBQOSA-N 3 1 287.451 2.248 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903909375 635342888 /nfs/dbraw/zinc/34/28/88/635342888.db2.gz UJBGSMBWAIZPQX-KRWDZBQOSA-N 3 1 287.451 2.248 20 0 CEADMP Cc1c[nH+]ccc1OC1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903909998 635344106 /nfs/dbraw/zinc/34/41/06/635344106.db2.gz ZKKKBBUZIFKJFR-LBPRGKRZSA-N 2 1 299.365 2.216 20 0 CEADMP Cc1ccccc1OCCC[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903922604 635350138 /nfs/dbraw/zinc/35/01/38/635350138.db2.gz AMIDKKTXHCHCCM-LBPRGKRZSA-N 2 1 272.339 2.336 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)CCC(C)(C)C)cnn1C ZINC000903931249 635357435 /nfs/dbraw/zinc/35/74/35/635357435.db2.gz BNPWXCRAGBWPMU-AWEZNQCLSA-N 2 1 280.460 2.214 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000903932315 635358451 /nfs/dbraw/zinc/35/84/51/635358451.db2.gz AVLYHIARWQMORP-QDZFIJTISA-N 3 1 291.483 2.229 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC3(CCC3)C[C@H]2C)cnn1C ZINC000903916981 635365087 /nfs/dbraw/zinc/36/50/87/635365087.db2.gz IZYSKXHLUUBFDM-UKRRQHHQSA-N 2 1 290.455 2.110 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+](CCN)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000903953334 635386850 /nfs/dbraw/zinc/38/68/50/635386850.db2.gz DBMKVDTUJUBNTC-ZFWWWQNUSA-N 2 1 295.858 2.489 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](CCN)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000903953334 635386853 /nfs/dbraw/zinc/38/68/53/635386853.db2.gz DBMKVDTUJUBNTC-ZFWWWQNUSA-N 2 1 295.858 2.489 20 0 CEADMP C[C@@H](CC1CCC1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971408 635390210 /nfs/dbraw/zinc/39/02/10/635390210.db2.gz AUZHUEHSHZXFKI-ZFWWWQNUSA-N 2 1 266.429 2.313 20 0 CEADMP CCCC[C@@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974005 635391628 /nfs/dbraw/zinc/39/16/28/635391628.db2.gz SBRLSAPOEWFNRP-ZIAGYGMSSA-N 2 1 254.418 2.313 20 0 CEADMP C[C@@H](Cc1ccncc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000824988569 635535522 /nfs/dbraw/zinc/53/55/22/635535522.db2.gz NUCVDAXIPXYTNL-WWTUQBGBSA-N 2 1 259.397 2.227 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000904298187 635553048 /nfs/dbraw/zinc/55/30/48/635553048.db2.gz UHMNKYNYUSEIEZ-DLBZAZTESA-N 3 1 273.424 2.109 20 0 CEADMP [NH3+]Cc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000904298187 635553054 /nfs/dbraw/zinc/55/30/54/635553054.db2.gz UHMNKYNYUSEIEZ-DLBZAZTESA-N 2 1 273.424 2.109 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000904299981 635553540 /nfs/dbraw/zinc/55/35/40/635553540.db2.gz SUSCOZXLRBFJQQ-ZFWWWQNUSA-N 2 1 290.407 2.341 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904315973 635558719 /nfs/dbraw/zinc/55/87/19/635558719.db2.gz HQHWZPZWMWAHSF-NVXWUHKLSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@@]1(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)CCC[NH2+]C1 ZINC000904312948 635560490 /nfs/dbraw/zinc/56/04/90/635560490.db2.gz VNBOHWFQBIGMRG-CHWSQXEVSA-N 2 1 294.361 2.419 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)CCC[NH2+]C1 ZINC000904312948 635560495 /nfs/dbraw/zinc/56/04/95/635560495.db2.gz VNBOHWFQBIGMRG-CHWSQXEVSA-N 2 1 294.361 2.419 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)CC1 ZINC000904314498 635561951 /nfs/dbraw/zinc/56/19/51/635561951.db2.gz ZNFIYOHTWNXCHQ-ZACQAIPSSA-N 3 1 279.472 2.168 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904344109 635581449 /nfs/dbraw/zinc/58/14/49/635581449.db2.gz ZJNFXPNOBFNWNU-SJORKVTESA-N 2 1 279.472 2.040 20 0 CEADMP CCn1ccnc1[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343818 635582148 /nfs/dbraw/zinc/58/21/48/635582148.db2.gz XOQZJFSDTYLPQN-HZSPNIEDSA-N 2 1 262.401 2.167 20 0 CEADMP C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904347520 635582934 /nfs/dbraw/zinc/58/29/34/635582934.db2.gz IDHFYEUUZMAKAJ-CHWFTXMASA-N 2 1 250.308 2.387 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000904364592 635596743 /nfs/dbraw/zinc/59/67/43/635596743.db2.gz ZDADPWFOCGWVGI-HUUCEWRRSA-N 2 1 290.455 2.404 20 0 CEADMP COc1cccc([C@@]2(C)CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)c1 ZINC000904378404 635602786 /nfs/dbraw/zinc/60/27/86/635602786.db2.gz CBBSFLLHQRRCSE-LXZKKBNFSA-N 2 1 274.408 2.396 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@H]1CO ZINC000904380408 635604486 /nfs/dbraw/zinc/60/44/86/635604486.db2.gz LXTYAAVSTIUDOV-HZSPNIEDSA-N 2 1 256.434 2.090 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@H]1CO ZINC000904380408 635604489 /nfs/dbraw/zinc/60/44/89/635604489.db2.gz LXTYAAVSTIUDOV-HZSPNIEDSA-N 2 1 256.434 2.090 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000904405001 635612026 /nfs/dbraw/zinc/61/20/26/635612026.db2.gz GMPFTMUYULSSPI-AWEZNQCLSA-N 2 1 270.380 2.043 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nc3c(s2)CCCC3)CC[C@H]1C[NH3+] ZINC000904410342 635616518 /nfs/dbraw/zinc/61/65/18/635616518.db2.gz FCRRBBFNWOYWQF-RYUDHWBXSA-N 2 1 279.453 2.439 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)n21 ZINC000904411660 635619311 /nfs/dbraw/zinc/61/93/11/635619311.db2.gz OZMAJMLNZHOGCS-OCCSQVGLSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)n2c1 ZINC000904412194 635620582 /nfs/dbraw/zinc/62/05/82/635620582.db2.gz SAOCADCTXLBHCX-KBPBESRZSA-N 2 1 272.396 2.059 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@](C)(O)C(F)F)c1 ZINC000905062234 635808542 /nfs/dbraw/zinc/80/85/42/635808542.db2.gz LZUXMJUJNIBYHN-HNNXBMFYSA-N 2 1 286.366 2.244 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000905279442 636205934 /nfs/dbraw/zinc/20/59/34/636205934.db2.gz IRTAJXZGYDNIBQ-QGZVFWFLSA-N 2 1 276.424 2.492 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC1CC=CC1 ZINC000905578677 636340406 /nfs/dbraw/zinc/34/04/06/636340406.db2.gz JVDBWPFAXMRBEK-SFHVURJKSA-N 2 1 288.435 2.425 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC1CC=CC1 ZINC000905578677 636340411 /nfs/dbraw/zinc/34/04/11/636340411.db2.gz JVDBWPFAXMRBEK-SFHVURJKSA-N 2 1 288.435 2.425 20 0 CEADMP CC(C)CC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000828011253 636485431 /nfs/dbraw/zinc/48/54/31/636485431.db2.gz AJEKZHMJCNUZSD-GDBMZVCRSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)CC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000828011253 636485433 /nfs/dbraw/zinc/48/54/33/636485433.db2.gz AJEKZHMJCNUZSD-GDBMZVCRSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000828383788 636583827 /nfs/dbraw/zinc/58/38/27/636583827.db2.gz PGQFKHNJXLEGCV-CKDBGZEDSA-N 2 1 295.471 2.238 20 0 CEADMP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)CC[NH2+]C(C)(C)C ZINC000828489194 636608716 /nfs/dbraw/zinc/60/87/16/636608716.db2.gz PTQMUHRONLEUMD-OAHLLOKOSA-N 2 1 289.423 2.068 20 0 CEADMP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)CC[NH2+]C(C)(C)C ZINC000828489194 636608721 /nfs/dbraw/zinc/60/87/21/636608721.db2.gz PTQMUHRONLEUMD-OAHLLOKOSA-N 2 1 289.423 2.068 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000906434290 636732061 /nfs/dbraw/zinc/73/20/61/636732061.db2.gz DFIOZMUSSXGUJV-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1C ZINC000906789883 636852992 /nfs/dbraw/zinc/85/29/92/636852992.db2.gz HSJVAOSKZOGAKE-HUUCEWRRSA-N 2 1 295.471 2.192 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)C1CCCC1 ZINC000841086110 637437056 /nfs/dbraw/zinc/43/70/56/637437056.db2.gz CUDNHCTZPMHCNB-XJFOESAGSA-N 2 1 286.510 2.473 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(CCC)C1CC[NH2+]CC1 ZINC000834325293 637778453 /nfs/dbraw/zinc/77/84/53/637778453.db2.gz UHRJNNSYBMFWAA-UHFFFAOYSA-N 2 1 297.487 2.489 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834445061 637832168 /nfs/dbraw/zinc/83/21/68/637832168.db2.gz GRTYWCFRGDKOGB-UHFFFAOYSA-N 2 1 295.471 2.101 20 0 CEADMP CC[N@H+]1CCCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)[C@H](C)C1 ZINC000910283258 637976929 /nfs/dbraw/zinc/97/69/29/637976929.db2.gz KVZMLWMAQQWYSF-ZIAGYGMSSA-N 2 1 283.460 2.096 20 0 CEADMP CSC(C)(C)CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000876714615 650408649 /nfs/dbraw/zinc/40/86/49/650408649.db2.gz CFDDGSZNHGVSCK-OAHLLOKOSA-N 2 1 299.528 2.230 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000912296387 638635013 /nfs/dbraw/zinc/63/50/13/638635013.db2.gz MTJRVLIQLFQJNB-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000912296387 638635015 /nfs/dbraw/zinc/63/50/15/638635015.db2.gz MTJRVLIQLFQJNB-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000912296387 638635031 /nfs/dbraw/zinc/63/50/31/638635031.db2.gz MTJRVLIQLFQJNB-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000913006008 639176529 /nfs/dbraw/zinc/17/65/29/639176529.db2.gz KKNLFGAKUFTONS-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)OC ZINC000876950938 650501471 /nfs/dbraw/zinc/50/14/71/650501471.db2.gz BIVBDELJFZXDNE-HNNXBMFYSA-N 2 1 288.395 2.480 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCc2cccnc21)C[NH+]1CCCC1 ZINC000226820024 639565276 /nfs/dbraw/zinc/56/52/76/639565276.db2.gz OVEZYKBRUHEINJ-HIFRSBDPSA-N 2 1 259.397 2.390 20 0 CEADMP Cc1cc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000075669023 639585810 /nfs/dbraw/zinc/58/58/10/639585810.db2.gz UHCWLMUTKGRPSV-HNNXBMFYSA-N 2 1 297.406 2.444 20 0 CEADMP Clc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000841029558 639621038 /nfs/dbraw/zinc/62/10/38/639621038.db2.gz FRVSUBAVHJMWAL-FOSCPWQOSA-N 2 1 251.761 2.108 20 0 CEADMP CCOc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1OC(=O)CC ZINC000841031445 639622541 /nfs/dbraw/zinc/62/25/41/639622541.db2.gz UIEQZZYIIWAXIZ-UHFFFAOYSA-N 2 1 294.395 2.228 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000062077963 639735119 /nfs/dbraw/zinc/73/51/19/639735119.db2.gz NGZQQYHHMUIHMX-OAHLLOKOSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@]1(C[N@@H+]2CCc3sccc3C2)CCC[NH2+]C1 ZINC000062861662 639788972 /nfs/dbraw/zinc/78/89/72/639788972.db2.gz FHCHBNHQGJAEAG-CQSZACIVSA-N 2 1 250.411 2.496 20 0 CEADMP C[C@@]1(C[N@H+]2CCc3sccc3C2)CCC[NH2+]C1 ZINC000062861662 639788979 /nfs/dbraw/zinc/78/89/79/639788979.db2.gz FHCHBNHQGJAEAG-CQSZACIVSA-N 2 1 250.411 2.496 20 0 CEADMP C[C@]1(CN2CCC(C[NH+]3CCCC3)CC2)CCC[NH2+]C1 ZINC000062868064 639790702 /nfs/dbraw/zinc/79/07/02/639790702.db2.gz WTJKYHFIGNZLJG-KRWDZBQOSA-N 2 1 279.472 2.184 20 0 CEADMP C[C@]1(C[N@@H+]2CCOc3ccccc3C2)CCC[NH2+]C1 ZINC000063013496 639818291 /nfs/dbraw/zinc/81/82/91/639818291.db2.gz SBBBRZVULLGZOM-INIZCTEOSA-N 2 1 260.381 2.271 20 0 CEADMP C[C@]1(C[N@H+]2CCOc3ccccc3C2)CCC[NH2+]C1 ZINC000063013496 639818293 /nfs/dbraw/zinc/81/82/93/639818293.db2.gz SBBBRZVULLGZOM-INIZCTEOSA-N 2 1 260.381 2.271 20 0 CEADMP Cc1csc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000063132376 639831800 /nfs/dbraw/zinc/83/18/00/639831800.db2.gz ZHFWGYVGCGKDBH-YHWZYXNKSA-N 2 1 265.426 2.209 20 0 CEADMP [NH3+]CCCCCCC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000842471473 640071047 /nfs/dbraw/zinc/07/10/47/640071047.db2.gz CUSIYLDTFLBKTK-CQSZACIVSA-N 2 1 254.418 2.397 20 0 CEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(Cl)nc1 ZINC000842471527 640071272 /nfs/dbraw/zinc/07/12/72/640071272.db2.gz HHEAUGHINJMUCK-LLVKDONJSA-N 2 1 253.777 2.166 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000842473242 640072855 /nfs/dbraw/zinc/07/28/55/640072855.db2.gz RXUCTCTYJWYKIU-MRXNPFEDSA-N 2 1 295.471 2.230 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2[nH]c(C)nc2C)C1 ZINC000929780398 640188192 /nfs/dbraw/zinc/18/81/92/640188192.db2.gz RFIBJNWBIAXXFW-CQSZACIVSA-N 2 1 264.417 2.190 20 0 CEADMP CCC[N@H+](C)C[C@H]1CCN(Cc2[nH]c(C)[nH+]c2C)C1 ZINC000929780398 640188198 /nfs/dbraw/zinc/18/81/98/640188198.db2.gz RFIBJNWBIAXXFW-CQSZACIVSA-N 2 1 264.417 2.190 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2[nH]c(C)[nH+]c2C)C1 ZINC000929780398 640188201 /nfs/dbraw/zinc/18/82/01/640188201.db2.gz RFIBJNWBIAXXFW-CQSZACIVSA-N 2 1 264.417 2.190 20 0 CEADMP COc1cnc(F)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000877066985 650557268 /nfs/dbraw/zinc/55/72/68/650557268.db2.gz CBLSFMVAVXLGPG-AGUYFDCRSA-N 2 1 293.386 2.334 20 0 CEADMP COc1cnc(F)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000877066985 650557272 /nfs/dbraw/zinc/55/72/72/650557272.db2.gz CBLSFMVAVXLGPG-AGUYFDCRSA-N 2 1 293.386 2.334 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CC[C@H]1[NH3+] ZINC000843051544 640254940 /nfs/dbraw/zinc/25/49/40/640254940.db2.gz FNJKCQDMIAKMTL-XJKSGUPXSA-N 2 1 260.381 2.276 20 0 CEADMP C[C@H](O)c1ncc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000843125586 640291748 /nfs/dbraw/zinc/29/17/48/640291748.db2.gz XVSXZYPLBPJSTG-RWMBFGLXSA-N 2 1 295.452 2.018 20 0 CEADMP C[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000843172683 640323767 /nfs/dbraw/zinc/32/37/67/640323767.db2.gz HICUOOIUOXUOFG-NSHDSACASA-N 2 1 272.352 2.352 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000843355389 640401328 /nfs/dbraw/zinc/40/13/28/640401328.db2.gz ZOJRRSDISFJBCK-HSBZDZAISA-N 2 1 292.427 2.125 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000843362835 640405803 /nfs/dbraw/zinc/40/58/03/640405803.db2.gz SAQBRDITTIYGBP-ZNMIVQPWSA-N 2 1 283.460 2.131 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843364989 640405777 /nfs/dbraw/zinc/40/57/77/640405777.db2.gz ZNKLYCWEKJDTKN-KKUMJFAQSA-N 2 1 283.460 2.131 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843364989 640405781 /nfs/dbraw/zinc/40/57/81/640405781.db2.gz ZNKLYCWEKJDTKN-KKUMJFAQSA-N 2 1 283.460 2.131 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000843362835 640405805 /nfs/dbraw/zinc/40/58/05/640405805.db2.gz SAQBRDITTIYGBP-ZNMIVQPWSA-N 2 1 283.460 2.131 20 0 CEADMP C[N@H+]1CCC[C@H]2CN(Cc3c(F)cncc3F)CC[C@H]21 ZINC000929847229 640467622 /nfs/dbraw/zinc/46/76/22/640467622.db2.gz MOLDIYODLGHYDU-XHDPSFHLSA-N 2 1 281.350 2.276 20 0 CEADMP C[N@@H+](CCCCCCC[NH3+])[C@H]1CCN(C2CC2)C1 ZINC000844222146 640635679 /nfs/dbraw/zinc/63/56/79/640635679.db2.gz XJSJSTUEEKBNJK-HNNXBMFYSA-N 2 1 253.434 2.064 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCCCCCC[NH3+])CCN1C ZINC000844221873 640635916 /nfs/dbraw/zinc/63/59/16/640635916.db2.gz WZMNNHCDJSCLAN-LSDHHAIUSA-N 2 1 255.450 2.310 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCCCCCC[NH3+])CC[N@@H+]1C ZINC000844221873 640635919 /nfs/dbraw/zinc/63/59/19/640635919.db2.gz WZMNNHCDJSCLAN-LSDHHAIUSA-N 3 1 255.450 2.310 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCCCCCC[NH3+])CC[N@H+]1C ZINC000844221873 640635924 /nfs/dbraw/zinc/63/59/24/640635924.db2.gz WZMNNHCDJSCLAN-LSDHHAIUSA-N 3 1 255.450 2.310 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CCCCCCC[NH3+])CC[NH+]1C ZINC000844221873 640635930 /nfs/dbraw/zinc/63/59/30/640635930.db2.gz WZMNNHCDJSCLAN-LSDHHAIUSA-N 3 1 255.450 2.310 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCCCCCC[NH3+])CC[NH+]1C ZINC000844221873 640635932 /nfs/dbraw/zinc/63/59/32/640635932.db2.gz WZMNNHCDJSCLAN-LSDHHAIUSA-N 3 1 255.450 2.310 20 0 CEADMP Cc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc(C)[nH+]1 ZINC000917064500 640844979 /nfs/dbraw/zinc/84/49/79/640844979.db2.gz XNIJLONZYCNREE-HNNXBMFYSA-N 2 1 290.411 2.149 20 0 CEADMP Cc1[nH]c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000930062336 641020570 /nfs/dbraw/zinc/02/05/70/641020570.db2.gz YJFDZXHWYGYLFK-WMLDXEAASA-N 2 1 288.439 2.475 20 0 CEADMP Cc1[nH]c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000930062336 641020574 /nfs/dbraw/zinc/02/05/74/641020574.db2.gz YJFDZXHWYGYLFK-WMLDXEAASA-N 2 1 288.439 2.475 20 0 CEADMP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CCC1(C)C ZINC000877206719 650627474 /nfs/dbraw/zinc/62/74/74/650627474.db2.gz NNSSAXRCJJXNHB-OAHLLOKOSA-N 2 1 289.423 2.019 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1 ZINC000877206776 650627608 /nfs/dbraw/zinc/62/76/08/650627608.db2.gz PIYMJMWPKKQYOZ-ZDUSSCGKSA-N 2 1 289.423 2.263 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@](C)(O)c2ccccc2)CC1 ZINC000846033968 641158373 /nfs/dbraw/zinc/15/83/73/641158373.db2.gz CBBSACGWXYXJLS-YOEHRIQHSA-N 2 1 276.424 2.357 20 0 CEADMP C[C@H]1C[N@H+](CCCCCC[NH3+])C[C@@H](C(F)(F)F)O1 ZINC000846219208 641226715 /nfs/dbraw/zinc/22/67/15/641226715.db2.gz KKMFCWNXOYJIJE-QWRGUYRKSA-N 2 1 268.323 2.157 20 0 CEADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])C[C@@H](C(F)(F)F)O1 ZINC000846219208 641226720 /nfs/dbraw/zinc/22/67/20/641226720.db2.gz KKMFCWNXOYJIJE-QWRGUYRKSA-N 2 1 268.323 2.157 20 0 CEADMP CN1CC[N@@H+](CCCCCC[NH3+])Cc2ccccc21 ZINC000846221407 641230566 /nfs/dbraw/zinc/23/05/66/641230566.db2.gz IOWUZXXNSYOYTM-UHFFFAOYSA-N 2 1 261.413 2.458 20 0 CEADMP CN(C)C(=O)c1cccc(C[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000921471077 641288570 /nfs/dbraw/zinc/28/85/70/641288570.db2.gz UHNBEQGQEVWSRB-UHFFFAOYSA-N 2 1 291.439 2.066 20 0 CEADMP CC[NH2+][C@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995915761 642081822 /nfs/dbraw/zinc/08/18/22/642081822.db2.gz GQQDRBWUIYCIFL-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCCCC1 ZINC000848980399 642202282 /nfs/dbraw/zinc/20/22/82/642202282.db2.gz JHIXHYQZLBDLFD-CQSZACIVSA-N 2 1 266.433 2.165 20 0 CEADMP CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000848981600 642204478 /nfs/dbraw/zinc/20/44/78/642204478.db2.gz BWFRODIBLOUVKL-OLZOCXBDSA-N 2 1 278.400 2.329 20 0 CEADMP C[N@@H+](CCCNC(=[NH2+])NC1CCC1)Cc1ccccc1 ZINC000848982611 642205196 /nfs/dbraw/zinc/20/51/96/642205196.db2.gz KCYYRXCKBAGRJS-UHFFFAOYSA-N 2 1 274.412 2.175 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NCc1ccc(C)cc1 ZINC000849000986 642219192 /nfs/dbraw/zinc/21/91/92/642219192.db2.gz LGOBETSKGBMYIB-CQSZACIVSA-N 2 1 276.428 2.339 20 0 CEADMP C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000849005348 642222171 /nfs/dbraw/zinc/22/21/71/642222171.db2.gz LECLEAMPSLAFLS-SNVBAGLBSA-N 2 1 282.338 2.243 20 0 CEADMP CC[C@@H](C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000771837026 642227728 /nfs/dbraw/zinc/22/77/28/642227728.db2.gz QKNCIOSFQUJXHT-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=[NH2+])NC1CCCC1 ZINC000849023920 642237895 /nfs/dbraw/zinc/23/78/95/642237895.db2.gz LZLHRNKEPXCUOZ-ZDUSSCGKSA-N 2 1 266.433 2.163 20 0 CEADMP CC1(C)CCC[N@H+]1CCNC(=[NH2+])NC1CCCCC1 ZINC000849039046 642249829 /nfs/dbraw/zinc/24/98/29/642249829.db2.gz FPHAXMQOHKTDAH-UHFFFAOYSA-N 2 1 266.433 2.307 20 0 CEADMP CC(C)[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997641987 642312995 /nfs/dbraw/zinc/31/29/95/642312995.db2.gz LCYGGWZKHRDXTD-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1cc(C)cc(CC[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000877482871 650742507 /nfs/dbraw/zinc/74/25/07/650742507.db2.gz JDOPZHVYBAKLGF-CALCHBBNSA-N 2 1 258.409 2.339 20 0 CEADMP Cc1cc(C)cc(CC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000877482871 650742508 /nfs/dbraw/zinc/74/25/08/650742508.db2.gz JDOPZHVYBAKLGF-CALCHBBNSA-N 2 1 258.409 2.339 20 0 CEADMP Cc1cc(C)cc(CC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000877482871 650742509 /nfs/dbraw/zinc/74/25/09/650742509.db2.gz JDOPZHVYBAKLGF-CALCHBBNSA-N 2 1 258.409 2.339 20 0 CEADMP COc1cncc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000850036885 642549271 /nfs/dbraw/zinc/54/92/71/642549271.db2.gz UGLLWZFMQBHKQX-UHFFFAOYSA-N 2 1 275.396 2.054 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c2OCC3)[C@H](C)C1 ZINC000921795454 642627356 /nfs/dbraw/zinc/62/73/56/642627356.db2.gz XJFVKBYJCMTFCG-CZUORRHYSA-N 2 1 274.408 2.441 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c2OCC3)[C@H](C)C1 ZINC000921795454 642627360 /nfs/dbraw/zinc/62/73/60/642627360.db2.gz XJFVKBYJCMTFCG-CZUORRHYSA-N 2 1 274.408 2.441 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C=CCC2)[C@@H](C)C1 ZINC000850508884 642734825 /nfs/dbraw/zinc/73/48/25/642734825.db2.gz KWYLMJUFZRIOTJ-XHSDSOJGSA-N 2 1 266.429 2.432 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCOC(F)F)CC1 ZINC000851744346 643142218 /nfs/dbraw/zinc/14/22/18/643142218.db2.gz CHUAOWVNXFIYGX-UHFFFAOYSA-N 2 1 250.333 2.030 20 0 CEADMP C[NH+](CC[C@H]1COC(C)(C)O1)CC[C@H]1CCCC[N@@H+]1C ZINC000851787140 643161526 /nfs/dbraw/zinc/16/15/26/643161526.db2.gz PBHAFWXSUDTQQD-CABCVRRESA-N 2 1 284.444 2.334 20 0 CEADMP C[NH+](CC[C@H]1COC(C)(C)O1)CC[C@H]1CCCC[N@H+]1C ZINC000851787140 643161530 /nfs/dbraw/zinc/16/15/30/643161530.db2.gz PBHAFWXSUDTQQD-CABCVRRESA-N 2 1 284.444 2.334 20 0 CEADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000851795608 643167141 /nfs/dbraw/zinc/16/71/41/643167141.db2.gz GJWVCYJWGFSCMD-HRCADAONSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000851795608 643167144 /nfs/dbraw/zinc/16/71/44/643167144.db2.gz GJWVCYJWGFSCMD-HRCADAONSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@@H]1CC[C@H]([NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000851795608 643167146 /nfs/dbraw/zinc/16/71/46/643167146.db2.gz GJWVCYJWGFSCMD-HRCADAONSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@@H]1CC[C@H](N2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000851890978 643211818 /nfs/dbraw/zinc/21/18/18/643211818.db2.gz ZESBXRYOEONUEZ-UONOGXRCSA-N 2 1 252.402 2.114 20 0 CEADMP CO[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000851890978 643211823 /nfs/dbraw/zinc/21/18/23/643211823.db2.gz ZESBXRYOEONUEZ-UONOGXRCSA-N 2 1 252.402 2.114 20 0 CEADMP CO[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3C)CC2)C1 ZINC000851890978 643211829 /nfs/dbraw/zinc/21/18/29/643211829.db2.gz ZESBXRYOEONUEZ-UONOGXRCSA-N 2 1 252.402 2.114 20 0 CEADMP CCO[C@@H](C[NH2+]C/C=C/c1ccccc1OC)CN(C)C ZINC000922756060 643246627 /nfs/dbraw/zinc/24/66/27/643246627.db2.gz DSEYGVGWHAENEU-DZZUKKPASA-N 2 1 292.423 2.265 20 0 CEADMP COc1cnc(F)c(CNC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000877653345 650835058 /nfs/dbraw/zinc/83/50/58/650835058.db2.gz HSUXZBLGYMZIJQ-GFCCVEGCSA-N 2 1 281.375 2.051 20 0 CEADMP CC[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005503935 643411512 /nfs/dbraw/zinc/41/15/12/643411512.db2.gz LVHNRPOXBIENLB-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CC1(C)CC1 ZINC000877664157 650839654 /nfs/dbraw/zinc/83/96/54/650839654.db2.gz INBXRYBCSQEXNP-UHFFFAOYSA-N 2 1 254.418 2.077 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000852744149 643529648 /nfs/dbraw/zinc/52/96/48/643529648.db2.gz SZDQOHZWQSYUKK-UKRRQHHQSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@]12COC[C@]1(C)C[N@H+](CCCCCCC[NH3+])C2 ZINC000852755423 643539065 /nfs/dbraw/zinc/53/90/65/643539065.db2.gz NLYDYFUNKUBAFI-GASCZTMLSA-N 2 1 254.418 2.254 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@@H]1CCO ZINC000852755205 643539534 /nfs/dbraw/zinc/53/95/34/643539534.db2.gz HBERAPAELMFNKH-HUUCEWRRSA-N 2 1 256.434 2.379 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852859316 643580956 /nfs/dbraw/zinc/58/09/56/643580956.db2.gz RIISKNBGQISAGA-OAHLLOKOSA-N 2 1 293.455 2.067 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C=C1CC[NH2+]CC1 ZINC000852863469 643581241 /nfs/dbraw/zinc/58/12/41/643581241.db2.gz OUZUFCXIDYTYLX-INIZCTEOSA-N 2 1 293.455 2.067 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC[C@@H](O)c2ccccn2)C1 ZINC000853063138 643642027 /nfs/dbraw/zinc/64/20/27/643642027.db2.gz YXJWPYCYTMUMGG-HLLBOEOZSA-N 2 1 291.439 2.073 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC000853063138 643642032 /nfs/dbraw/zinc/64/20/32/643642032.db2.gz YXJWPYCYTMUMGG-HLLBOEOZSA-N 2 1 291.439 2.073 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC000853063138 643642035 /nfs/dbraw/zinc/64/20/35/643642035.db2.gz YXJWPYCYTMUMGG-HLLBOEOZSA-N 2 1 291.439 2.073 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H](O)c1ccc(F)cc1F ZINC000923294064 643645709 /nfs/dbraw/zinc/64/57/09/643645709.db2.gz FQKFCSHRJLSCKS-CABCVRRESA-N 2 1 286.366 2.303 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H](O)c1ccc(F)cc1F ZINC000923294064 643645715 /nfs/dbraw/zinc/64/57/15/643645715.db2.gz FQKFCSHRJLSCKS-CABCVRRESA-N 2 1 286.366 2.303 20 0 CEADMP CC(C)CC[C@@H](O)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000923293627 643646098 /nfs/dbraw/zinc/64/60/98/643646098.db2.gz ZPHAXSKXGJBHBV-MRXNPFEDSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000923294066 643646473 /nfs/dbraw/zinc/64/64/73/643646473.db2.gz FQKFCSHRJLSCKS-HUUCEWRRSA-N 2 1 286.366 2.303 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000923294066 643646474 /nfs/dbraw/zinc/64/64/74/643646474.db2.gz FQKFCSHRJLSCKS-HUUCEWRRSA-N 2 1 286.366 2.303 20 0 CEADMP CCC(CC)C[N@@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923307700 643648934 /nfs/dbraw/zinc/64/89/34/643648934.db2.gz WWXUHYQTUQYOAP-AWEZNQCLSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+](Cc1ccccc1C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303467 643650163 /nfs/dbraw/zinc/65/01/63/643650163.db2.gz NKHRJMCORCPHAS-INIZCTEOSA-N 2 1 274.408 2.195 20 0 CEADMP CCC1CCC([N@@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923304746 643651341 /nfs/dbraw/zinc/65/13/41/643651341.db2.gz UGECNMHAVYYBCO-YMAMQOFZSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccccn2)c1 ZINC000853098377 643652556 /nfs/dbraw/zinc/65/25/56/643652556.db2.gz IKQABRHZADXZEW-SFHVURJKSA-N 2 1 299.418 2.357 20 0 CEADMP Cc1ccccc1[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312899 643653336 /nfs/dbraw/zinc/65/33/36/643653336.db2.gz SHLDTPBMKGFJDQ-CVEARBPZSA-N 2 1 286.419 2.163 20 0 CEADMP C[C@@H]1c2ccc(F)cc2CC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923313290 643653599 /nfs/dbraw/zinc/65/35/99/643653599.db2.gz DFDJZELQUBFQFS-IUODEOHRSA-N 2 1 290.382 2.123 20 0 CEADMP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923315119 643654505 /nfs/dbraw/zinc/65/45/05/643654505.db2.gz FSSFTDHEZSXNNX-DOTOQJQBSA-N 2 1 288.435 2.236 20 0 CEADMP C(C[N@H+]1CCC[C@@H]2COCC[C@H]21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923318884 643657324 /nfs/dbraw/zinc/65/73/24/643657324.db2.gz PWHNIIUOJGJVPM-MUOSFQKXSA-N 2 1 278.440 2.408 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923327756 643660136 /nfs/dbraw/zinc/66/01/36/643660136.db2.gz VGLULPKFEJNBSV-IFFAKLHKSA-N 3 1 279.472 2.181 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923327756 643660139 /nfs/dbraw/zinc/66/01/39/643660139.db2.gz VGLULPKFEJNBSV-IFFAKLHKSA-N 3 1 279.472 2.181 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923327756 643660144 /nfs/dbraw/zinc/66/01/44/643660144.db2.gz VGLULPKFEJNBSV-IFFAKLHKSA-N 2 1 279.472 2.181 20 0 CEADMP Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CCC[NH2+]C2CC2)n1 ZINC000923323802 643663347 /nfs/dbraw/zinc/66/33/47/643663347.db2.gz XCGHDDWFVHGYKB-QGZVFWFLSA-N 2 1 290.455 2.497 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)c(F)c3)C[C@H]21 ZINC000923335046 643667256 /nfs/dbraw/zinc/66/72/56/643667256.db2.gz ZYZFUQOQGLUGIH-BHTHQVBYSA-N 2 1 296.361 2.057 20 0 CEADMP O[C@H](Cc1ccccc1)C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000923365398 643680800 /nfs/dbraw/zinc/68/08/00/643680800.db2.gz SOSSZQOFIDABJA-SQNIBIBYSA-N 2 1 288.435 2.197 20 0 CEADMP O[C@H](Cc1ccccc1)C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000923365398 643680802 /nfs/dbraw/zinc/68/08/02/643680802.db2.gz SOSSZQOFIDABJA-SQNIBIBYSA-N 2 1 288.435 2.197 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923369001 643682282 /nfs/dbraw/zinc/68/22/82/643682282.db2.gz FAMKYVTZNMHAII-VIYLOZMYSA-N 2 1 294.439 2.182 20 0 CEADMP CCC[C@](C)([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)OC ZINC000923375799 643685501 /nfs/dbraw/zinc/68/55/01/643685501.db2.gz FIWOGJBSEFGYSA-HUORLRHWSA-N 2 1 282.428 2.229 20 0 CEADMP COc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)sn1 ZINC000923382197 643688145 /nfs/dbraw/zinc/68/81/45/643688145.db2.gz AYRQZVLFNSZZKL-NSHDSACASA-N 2 1 281.425 2.116 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@H](O)Cc1ccccc1)CC[NH2+]CC2 ZINC000923382587 643688505 /nfs/dbraw/zinc/68/85/05/643688505.db2.gz DEVDOLOSOGONNV-NVXWUHKLSA-N 2 1 288.435 2.054 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1C[NH3+] ZINC000923382780 643688717 /nfs/dbraw/zinc/68/87/17/643688717.db2.gz UNCXKNAFRDORAJ-FZCLSBEQSA-N 2 1 290.451 2.285 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923384850 643689253 /nfs/dbraw/zinc/68/92/53/643689253.db2.gz OMDIODXAPHIOIP-KKUMJFAQSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923384976 643689279 /nfs/dbraw/zinc/68/92/79/643689279.db2.gz RFQCGFCZTVIKCF-HUUCEWRRSA-N 2 1 266.429 2.266 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000923391737 643690744 /nfs/dbraw/zinc/69/07/44/643690744.db2.gz YVZWMPSUENMECS-CQSZACIVSA-N 2 1 277.412 2.449 20 0 CEADMP COc1ccc(C2CC[NH+](CCC[NH2+]C3CC3)CC2)nc1 ZINC000923387313 643692391 /nfs/dbraw/zinc/69/23/91/643692391.db2.gz JCGVZZRUBAMZFM-UHFFFAOYSA-N 2 1 289.423 2.412 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000923388752 643693600 /nfs/dbraw/zinc/69/36/00/643693600.db2.gz RCUOONWZCFJUAZ-VVLHAWIVSA-N 2 1 298.471 2.002 20 0 CEADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000923388277 643694062 /nfs/dbraw/zinc/69/40/62/643694062.db2.gz HNPAKZZEYQJDCL-GDBMZVCRSA-N 2 1 266.429 2.410 20 0 CEADMP COC(=O)[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000923395182 643695532 /nfs/dbraw/zinc/69/55/32/643695532.db2.gz PJKBNUCVUNMRAD-NIOBXDJOSA-N 2 1 294.439 2.038 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCc1cccc(F)c1)C2 ZINC000923408854 643700021 /nfs/dbraw/zinc/70/00/21/643700021.db2.gz GPIBRUGEGPHVRH-IYBDPMFKSA-N 2 1 262.372 2.300 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCc1cccc(F)c1)C2 ZINC000923408854 643700024 /nfs/dbraw/zinc/70/00/24/643700024.db2.gz GPIBRUGEGPHVRH-IYBDPMFKSA-N 2 1 262.372 2.300 20 0 CEADMP Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC[NH2+]C2CC2)cn1 ZINC000923426184 643705414 /nfs/dbraw/zinc/70/54/14/643705414.db2.gz LFUFQMDIBUWDTK-FUCXHRTASA-N 2 1 288.439 2.273 20 0 CEADMP CCc1nc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cs1 ZINC000923450991 643720775 /nfs/dbraw/zinc/72/07/75/643720775.db2.gz KEKBGXITFUJINQ-ZDUSSCGKSA-N 2 1 295.452 2.035 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487959 643732003 /nfs/dbraw/zinc/73/20/03/643732003.db2.gz OMOXAFHGMNORJB-VXGBXAGGSA-N 2 1 295.814 2.338 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487959 643732008 /nfs/dbraw/zinc/73/20/08/643732008.db2.gz OMOXAFHGMNORJB-VXGBXAGGSA-N 2 1 295.814 2.338 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000923481254 643732145 /nfs/dbraw/zinc/73/21/45/643732145.db2.gz HVDZSCMWWSHUSO-LBPRGKRZSA-N 2 1 271.364 2.111 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000923481584 643732295 /nfs/dbraw/zinc/73/22/95/643732295.db2.gz RWGKGUCXKCYODZ-JTQLQIEISA-N 2 1 299.777 2.088 20 0 CEADMP Cc1cccc(-c2noc(C[N@H+]3CC[C@H](CC[NH3+])C3)n2)c1 ZINC000923485077 643733315 /nfs/dbraw/zinc/73/33/15/643733315.db2.gz DYWCJEAACYJSBJ-ZDUSSCGKSA-N 2 1 286.379 2.216 20 0 CEADMP C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2)CC[C@H]1C[NH3+] ZINC000923495826 643734417 /nfs/dbraw/zinc/73/44/17/643734417.db2.gz FKXGHHSQQBXXKP-STQMWFEESA-N 2 1 293.386 2.071 20 0 CEADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497234 643739249 /nfs/dbraw/zinc/73/92/49/643739249.db2.gz ATLWDPWXOARFSY-KGLIPLIRSA-N 2 1 262.397 2.420 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)CC[C@H]1C[NH3+] ZINC000923498866 643741042 /nfs/dbraw/zinc/74/10/42/643741042.db2.gz QMFCEJIZJMTYFC-OCCSQVGLSA-N 2 1 285.391 2.357 20 0 CEADMP CC(C)c1cnc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)o1 ZINC000923500380 643741216 /nfs/dbraw/zinc/74/12/16/643741216.db2.gz OCFSCTQWWMYWTA-VXGBXAGGSA-N 2 1 251.374 2.215 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)CC[C@@H]1C[NH3+] ZINC000923501885 643742603 /nfs/dbraw/zinc/74/26/03/643742603.db2.gz WLSKDDGJIVFAJV-ZYHUDNBSSA-N 2 1 254.324 2.382 20 0 CEADMP Fc1cc2cccnc2c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923518120 643748064 /nfs/dbraw/zinc/74/80/64/643748064.db2.gz UIEQWUVVAIKKFC-DZGCQCFKSA-N 2 1 285.366 2.415 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923549042 643757082 /nfs/dbraw/zinc/75/70/82/643757082.db2.gz FCFYHUCVFQBUAI-GDBMZVCRSA-N 2 1 266.429 2.125 20 0 CEADMP CCn1cnc2c1CC[N@@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923557727 643765008 /nfs/dbraw/zinc/76/50/08/643765008.db2.gz OIGLCPCWKOLZSX-GOOCMWNKSA-N 2 1 288.439 2.182 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000111608516 643908348 /nfs/dbraw/zinc/90/83/48/643908348.db2.gz HYWFHOOCCBDIAK-UHFFFAOYSA-N 2 1 297.487 2.299 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4nccnc4c3)CC[C@H]21 ZINC000877739307 650881519 /nfs/dbraw/zinc/88/15/19/650881519.db2.gz NZWLJCWJHABPHD-WMLDXEAASA-N 2 1 282.391 2.156 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc4nccnc4c3)CC[C@H]21 ZINC000877739307 650881520 /nfs/dbraw/zinc/88/15/20/650881520.db2.gz NZWLJCWJHABPHD-WMLDXEAASA-N 2 1 282.391 2.156 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4nccnc4c3)CC[C@H]21 ZINC000877739307 650881524 /nfs/dbraw/zinc/88/15/24/650881524.db2.gz NZWLJCWJHABPHD-WMLDXEAASA-N 2 1 282.391 2.156 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4nccnc4c3)CC[C@H]21 ZINC000877739307 650881525 /nfs/dbraw/zinc/88/15/25/650881525.db2.gz NZWLJCWJHABPHD-WMLDXEAASA-N 2 1 282.391 2.156 20 0 CEADMP Cc1ccncc1CCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877740186 650883078 /nfs/dbraw/zinc/88/30/78/650883078.db2.gz IXSFULMSWDTHAK-IAGOWNOFSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccncc1CCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877740186 650883079 /nfs/dbraw/zinc/88/30/79/650883079.db2.gz IXSFULMSWDTHAK-IAGOWNOFSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccncc1CCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877740186 650883082 /nfs/dbraw/zinc/88/30/82/650883082.db2.gz IXSFULMSWDTHAK-IAGOWNOFSA-N 2 1 273.424 2.349 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)N2CCCC2)CC1 ZINC000838816319 644028319 /nfs/dbraw/zinc/02/83/19/644028319.db2.gz CEBUMDLEJCTCJT-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877742051 650885870 /nfs/dbraw/zinc/88/58/70/650885870.db2.gz OCCPYMAWMRIOBS-KZNAEPCWSA-N 2 1 288.435 2.270 20 0 CEADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877742051 650885873 /nfs/dbraw/zinc/88/58/73/650885873.db2.gz OCCPYMAWMRIOBS-KZNAEPCWSA-N 2 1 288.435 2.270 20 0 CEADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877742051 650885876 /nfs/dbraw/zinc/88/58/76/650885876.db2.gz OCCPYMAWMRIOBS-KZNAEPCWSA-N 2 1 288.435 2.270 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000855288396 644295000 /nfs/dbraw/zinc/29/50/00/644295000.db2.gz IKDQSOUSOYYDRL-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855288396 644295007 /nfs/dbraw/zinc/29/50/07/644295007.db2.gz IKDQSOUSOYYDRL-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000855288396 644295011 /nfs/dbraw/zinc/29/50/11/644295011.db2.gz IKDQSOUSOYYDRL-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP CCN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000855491857 644370814 /nfs/dbraw/zinc/37/08/14/644370814.db2.gz UQTQNAZVZKHOBR-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000754873072 644445018 /nfs/dbraw/zinc/44/50/18/644445018.db2.gz UIUIBGQHBDZWSX-UHFFFAOYSA-N 2 1 281.375 2.168 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCN[C@H]1C)N1CCc2ccccc21 ZINC000925489880 644597104 /nfs/dbraw/zinc/59/71/04/644597104.db2.gz FXUVJWLFGZMFLF-YCPHGPKFSA-N 2 1 273.424 2.168 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)N1CCc2ccccc21 ZINC000925489880 644597106 /nfs/dbraw/zinc/59/71/06/644597106.db2.gz FXUVJWLFGZMFLF-YCPHGPKFSA-N 2 1 273.424 2.168 20 0 CEADMP CCC[N@H+](C)CC(C)(C)NC(=O)CCCn1cc[nH+]c1C ZINC000856283009 644627361 /nfs/dbraw/zinc/62/73/61/644627361.db2.gz KPYVAWUECYULIO-UHFFFAOYSA-N 2 1 294.443 2.208 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CCCn1cc[nH+]c1C ZINC000856283009 644627365 /nfs/dbraw/zinc/62/73/65/644627365.db2.gz KPYVAWUECYULIO-UHFFFAOYSA-N 2 1 294.443 2.208 20 0 CEADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3CC3)C2)ccn1 ZINC000856553628 644694461 /nfs/dbraw/zinc/69/44/61/644694461.db2.gz MWIFKSIGLIKGLN-KRWDZBQOSA-N 2 1 289.423 2.396 20 0 CEADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC3CC3)C2)ccn1 ZINC000856553628 644694465 /nfs/dbraw/zinc/69/44/65/644694465.db2.gz MWIFKSIGLIKGLN-KRWDZBQOSA-N 2 1 289.423 2.396 20 0 CEADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC3CC3)C2)ccn1 ZINC000856553628 644694470 /nfs/dbraw/zinc/69/44/70/644694470.db2.gz MWIFKSIGLIKGLN-KRWDZBQOSA-N 2 1 289.423 2.396 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CCC2=O)CC1 ZINC000857234365 644865935 /nfs/dbraw/zinc/86/59/35/644865935.db2.gz JNNJKYRDEWVQAP-OAHLLOKOSA-N 2 1 293.455 2.153 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CCC2=O)CC1 ZINC000857234365 644865936 /nfs/dbraw/zinc/86/59/36/644865936.db2.gz JNNJKYRDEWVQAP-OAHLLOKOSA-N 2 1 293.455 2.153 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000857783170 644967377 /nfs/dbraw/zinc/96/73/77/644967377.db2.gz XFGQSAYYNYGAOD-UHFFFAOYSA-N 2 1 289.770 2.054 20 0 CEADMP c1ccc([C@@H]2CCC[C@H](C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)O2)cc1 ZINC000877982407 650966364 /nfs/dbraw/zinc/96/63/64/650966364.db2.gz RHTLWDWNMATKNF-XDNAFOTISA-N 2 1 286.419 2.448 20 0 CEADMP Cc1ccc(O[C@H]2CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)nc1 ZINC000858041256 645051852 /nfs/dbraw/zinc/05/18/52/645051852.db2.gz JFNBYBRORQQSBI-HOTGVXAUSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ccc(O[C@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)nc1 ZINC000858041256 645051855 /nfs/dbraw/zinc/05/18/55/645051855.db2.gz JFNBYBRORQQSBI-HOTGVXAUSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ccc(O[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)nc1 ZINC000858041256 645051859 /nfs/dbraw/zinc/05/18/59/645051859.db2.gz JFNBYBRORQQSBI-HOTGVXAUSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ccc(O[C@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)nc1 ZINC000858041256 645051868 /nfs/dbraw/zinc/05/18/68/645051868.db2.gz JFNBYBRORQQSBI-HOTGVXAUSA-N 2 1 289.423 2.327 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2COC3(CCCC3)O2)CC1(C)C ZINC000858156938 645077090 /nfs/dbraw/zinc/07/70/90/645077090.db2.gz UGHDWQILCXTRFZ-KGLIPLIRSA-N 2 1 282.428 2.135 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)CC1(C)C ZINC000858156940 645077678 /nfs/dbraw/zinc/07/76/78/645077678.db2.gz UGHDWQILCXTRFZ-UONOGXRCSA-N 2 1 282.428 2.135 20 0 CEADMP OCc1cc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000858635117 645227560 /nfs/dbraw/zinc/22/75/60/645227560.db2.gz VJMSOOVTLSYTDW-KRWDZBQOSA-N 2 1 283.375 2.260 20 0 CEADMP OCc1cc(NC[C@@H]2CC[N@H+]2C2CCCC2)cc[nH+]1 ZINC000858781609 645256990 /nfs/dbraw/zinc/25/69/90/645256990.db2.gz UFEPMAAYAIYROP-HNNXBMFYSA-N 2 1 261.369 2.003 20 0 CEADMP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000878108740 651001554 /nfs/dbraw/zinc/00/15/54/651001554.db2.gz IYNUSRLQHRXZKI-INIZCTEOSA-N 2 1 298.471 2.113 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000878108740 651001558 /nfs/dbraw/zinc/00/15/58/651001558.db2.gz IYNUSRLQHRXZKI-INIZCTEOSA-N 2 1 298.471 2.113 20 0 CEADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878121892 651006058 /nfs/dbraw/zinc/00/60/58/651006058.db2.gz PSFHDNIWBRJBEI-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[C@H](O)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000878121150 651006311 /nfs/dbraw/zinc/00/63/11/651006311.db2.gz NNHYURXOAYBZBU-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP COC(=O)[C@H](C1CC1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212218 645422484 /nfs/dbraw/zinc/42/24/84/645422484.db2.gz KPIXYGRAARQYSF-INIZCTEOSA-N 2 1 290.407 2.132 20 0 CEADMP COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212218 645422488 /nfs/dbraw/zinc/42/24/88/645422488.db2.gz KPIXYGRAARQYSF-INIZCTEOSA-N 2 1 290.407 2.132 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878166712 651021476 /nfs/dbraw/zinc/02/14/76/651021476.db2.gz CZZVHBDGRKUMJF-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878166712 651021484 /nfs/dbraw/zinc/02/14/84/651021484.db2.gz CZZVHBDGRKUMJF-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878166712 651021488 /nfs/dbraw/zinc/02/14/88/651021488.db2.gz CZZVHBDGRKUMJF-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP CC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000764512581 645651647 /nfs/dbraw/zinc/65/16/47/645651647.db2.gz IEVTYMIHQICZNL-UAGQMJEPSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000764512581 645651650 /nfs/dbraw/zinc/65/16/50/645651650.db2.gz IEVTYMIHQICZNL-UAGQMJEPSA-N 2 1 276.424 2.258 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927058 645655431 /nfs/dbraw/zinc/65/54/31/645655431.db2.gz VLIUZHCCFOYJIM-XLAORIBOSA-N 2 1 288.435 2.035 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927058 645655437 /nfs/dbraw/zinc/65/54/37/645655437.db2.gz VLIUZHCCFOYJIM-XLAORIBOSA-N 2 1 288.435 2.035 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927058 645655441 /nfs/dbraw/zinc/65/54/41/645655441.db2.gz VLIUZHCCFOYJIM-XLAORIBOSA-N 2 1 288.435 2.035 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927058 645655444 /nfs/dbraw/zinc/65/54/44/645655444.db2.gz VLIUZHCCFOYJIM-XLAORIBOSA-N 2 1 288.435 2.035 20 0 CEADMP C[C@@H](C[N@H+](C)CC[C@@H]1CCC[NH+]1C)NC(=O)OC(C)(C)C ZINC000860095561 645699924 /nfs/dbraw/zinc/69/99/24/645699924.db2.gz GENYZFKLAUXOCH-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H](C[N@@H+](C)CC[C@@H]1CCC[NH+]1C)NC(=O)OC(C)(C)C ZINC000860095561 645699926 /nfs/dbraw/zinc/69/99/26/645699926.db2.gz GENYZFKLAUXOCH-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H](C[NH+](C)CC[C@@H]1CCC[N@@H+]1C)NC(=O)OC(C)(C)C ZINC000860095561 645699929 /nfs/dbraw/zinc/69/99/29/645699929.db2.gz GENYZFKLAUXOCH-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H](C[NH+](C)CC[C@@H]1CCC[N@H+]1C)NC(=O)OC(C)(C)C ZINC000860095561 645699932 /nfs/dbraw/zinc/69/99/32/645699932.db2.gz GENYZFKLAUXOCH-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP Cc1cc([C@](C)(O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)o1 ZINC000766153796 645853047 /nfs/dbraw/zinc/85/30/47/645853047.db2.gz YHCJUTZVAMAKPK-SGIREYDYSA-N 2 1 280.412 2.176 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccncc1 ZINC000768402521 646120580 /nfs/dbraw/zinc/12/05/80/646120580.db2.gz LIWXPTOWQYNSFQ-RHSMWYFYSA-N 2 1 289.423 2.376 20 0 CEADMP Cn1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000863544072 646752710 /nfs/dbraw/zinc/75/27/10/646752710.db2.gz KHISAROMLYYSIA-CHWSQXEVSA-N 2 1 296.846 2.285 20 0 CEADMP Cn1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000863544072 646752713 /nfs/dbraw/zinc/75/27/13/646752713.db2.gz KHISAROMLYYSIA-CHWSQXEVSA-N 2 1 296.846 2.285 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000775360864 646945914 /nfs/dbraw/zinc/94/59/14/646945914.db2.gz AVIBJCZQQDIMJD-MGPQQGTHSA-N 2 1 286.510 2.440 20 0 CEADMP Cc1cccc(C(C)(C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000775442801 646955153 /nfs/dbraw/zinc/95/51/53/646955153.db2.gz IOEQWVZQVDEOAP-MRXNPFEDSA-N 2 1 276.424 2.276 20 0 CEADMP CCOCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000775607687 646972369 /nfs/dbraw/zinc/97/23/69/646972369.db2.gz WXOOGFHYLGDBNK-INIZCTEOSA-N 2 1 292.423 2.491 20 0 CEADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000864453475 647009480 /nfs/dbraw/zinc/00/94/80/647009480.db2.gz WTNIIICWFXRZOK-MCIONIFRSA-N 2 1 266.433 2.021 20 0 CEADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000864453643 647009505 /nfs/dbraw/zinc/00/95/05/647009505.db2.gz YHEMABGZFNTFPF-TZMCWYRMSA-N 2 1 266.433 2.163 20 0 CEADMP C[C@H](CNC(=[NH2+])NCCC1CC1)[N@H+]1CCCC[C@@H]1C ZINC000864454250 647010234 /nfs/dbraw/zinc/01/02/34/647010234.db2.gz VFVJEISKJYFAGK-QWHCGFSZSA-N 2 1 266.433 2.163 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1COC2(CCCCC2)O1 ZINC000776168050 647030490 /nfs/dbraw/zinc/03/04/90/647030490.db2.gz AIKANXJNXXYTDD-OAGGEKHMSA-N 2 1 294.439 2.279 20 0 CEADMP Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(C)o1 ZINC000120232790 647105533 /nfs/dbraw/zinc/10/55/33/647105533.db2.gz MVMWKLZZNTUOSL-MRXNPFEDSA-N 2 1 280.412 2.223 20 0 CEADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)Cc1ccsc1 ZINC000778372638 647224195 /nfs/dbraw/zinc/22/41/95/647224195.db2.gz CPJLGELFIPELRH-GDBMZVCRSA-N 2 1 296.480 2.458 20 0 CEADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)Cc1ccsc1 ZINC000778372638 647224197 /nfs/dbraw/zinc/22/41/97/647224197.db2.gz CPJLGELFIPELRH-GDBMZVCRSA-N 2 1 296.480 2.458 20 0 CEADMP C[NH+](C)[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)c1cccc(F)c1 ZINC000925493812 647339361 /nfs/dbraw/zinc/33/93/61/647339361.db2.gz MBIAYXNGSYQPCP-BZUAXINKSA-N 2 1 291.414 2.288 20 0 CEADMP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]cc3Br)CC[C@@H]21 ZINC000866208135 647671841 /nfs/dbraw/zinc/67/18/41/647671841.db2.gz KIACARNIQMXJSI-PWSUYJOCSA-N 2 1 296.212 2.375 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]cc3Br)CC[C@@H]21 ZINC000866208135 647671845 /nfs/dbraw/zinc/67/18/45/647671845.db2.gz KIACARNIQMXJSI-PWSUYJOCSA-N 2 1 296.212 2.375 20 0 CEADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000866228889 647682098 /nfs/dbraw/zinc/68/20/98/647682098.db2.gz LZKVDDJWWJLGBN-GOEBONIOSA-N 2 1 273.424 2.477 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866243209 647690687 /nfs/dbraw/zinc/69/06/87/647690687.db2.gz WNXZRVVLKYEXHJ-DLBZAZTESA-N 2 1 296.455 2.035 20 0 CEADMP Cc1cc(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)nc(N)[nH+]1 ZINC000784334897 647837653 /nfs/dbraw/zinc/83/76/53/647837653.db2.gz JFHGEPGPZUBFGF-ZFWWWQNUSA-N 2 1 283.379 2.225 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784569785 647863892 /nfs/dbraw/zinc/86/38/92/647863892.db2.gz BJJVHEPZXYOLNO-OAHLLOKOSA-N 2 1 293.411 2.057 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784569785 647863896 /nfs/dbraw/zinc/86/38/96/647863896.db2.gz BJJVHEPZXYOLNO-OAHLLOKOSA-N 2 1 293.411 2.057 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1CCOCCOc1ccccc1 ZINC000866700156 647873213 /nfs/dbraw/zinc/87/32/13/647873213.db2.gz RRWHYYXUODQURE-UHFFFAOYSA-N 2 1 292.423 2.156 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1CCOCCOc1ccccc1 ZINC000866700156 647873218 /nfs/dbraw/zinc/87/32/18/647873218.db2.gz RRWHYYXUODQURE-UHFFFAOYSA-N 2 1 292.423 2.156 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000866699978 647873255 /nfs/dbraw/zinc/87/32/55/647873255.db2.gz XLFCJIGTXDKLSV-UHFFFAOYSA-N 2 1 284.407 2.446 20 0 CEADMP Cc1nccn1CCC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866706034 647877124 /nfs/dbraw/zinc/87/71/24/647877124.db2.gz FLJDGLGKHYFACZ-INIZCTEOSA-N 2 1 278.444 2.279 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000866707419 647878162 /nfs/dbraw/zinc/87/81/62/647878162.db2.gz OCQSSBSOGGHHDL-GOEBONIOSA-N 3 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@@]1(CN)CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000866707419 647878170 /nfs/dbraw/zinc/87/81/70/647878170.db2.gz OCQSSBSOGGHHDL-GOEBONIOSA-N 2 1 267.461 2.073 20 0 CEADMP CC(C)(C)[C@@]1(CN)CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000866707419 647878174 /nfs/dbraw/zinc/87/81/74/647878174.db2.gz OCQSSBSOGGHHDL-GOEBONIOSA-N 2 1 267.461 2.073 20 0 CEADMP COc1ccc([C@H]2COCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000866718787 647881134 /nfs/dbraw/zinc/88/11/34/647881134.db2.gz NSQLLOCHEFNAAN-RHSMWYFYSA-N 2 1 290.407 2.068 20 0 CEADMP CC(C)[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000788619698 648208792 /nfs/dbraw/zinc/20/87/92/648208792.db2.gz FQUPTVARWAMZKJ-DLBZAZTESA-N 2 1 276.424 2.428 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000870867988 648937668 /nfs/dbraw/zinc/93/76/68/648937668.db2.gz XEMJZYWCSRQYFL-JYJNAYRXSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC[NH2+]CC1CC1 ZINC000870867223 648937693 /nfs/dbraw/zinc/93/76/93/648937693.db2.gz IIPZFKPLYVXMMV-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872021289 649243384 /nfs/dbraw/zinc/24/33/84/649243384.db2.gz AMFWKABKMCDQQN-HNNXBMFYSA-N 2 1 284.444 2.036 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)[C@@H]1CCCOC1 ZINC000872025879 649244138 /nfs/dbraw/zinc/24/41/38/649244138.db2.gz VHNDBUJGLADYBX-KFWWJZLASA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCOC1 ZINC000872053920 649256822 /nfs/dbraw/zinc/25/68/22/649256822.db2.gz NRQOIYHQYRHKGB-HUUCEWRRSA-N 2 1 252.402 2.043 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)C1CCCCC1 ZINC000872144979 649295068 /nfs/dbraw/zinc/29/50/68/649295068.db2.gz LJQGUWADIUPYFK-UGUYLWEFSA-N 2 1 266.429 2.441 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]C1CCC(OC(C)(C)C)CC1)C1CC1 ZINC000872219341 649320254 /nfs/dbraw/zinc/32/02/54/649320254.db2.gz REPDIHPAXCZMCY-SIWZUTFBSA-N 2 1 298.471 2.157 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCC(OC(C)(C)C)CC1)C1CC1 ZINC000872219341 649320259 /nfs/dbraw/zinc/32/02/59/649320259.db2.gz REPDIHPAXCZMCY-SIWZUTFBSA-N 2 1 298.471 2.157 20 0 CEADMP O[C@]1(C[NH2+][C@@H]2CC23CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000872251611 649328827 /nfs/dbraw/zinc/32/88/27/649328827.db2.gz PKDNFTBXCNSBOE-AEFFLSMTSA-N 2 1 286.419 2.156 20 0 CEADMP O[C@]1(C[NH2+][C@@H]2CC23CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000872251611 649328829 /nfs/dbraw/zinc/32/88/29/649328829.db2.gz PKDNFTBXCNSBOE-AEFFLSMTSA-N 2 1 286.419 2.156 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872274251 649338648 /nfs/dbraw/zinc/33/86/48/649338648.db2.gz QFBOJFTXTYCFDT-HNNXBMFYSA-N 2 1 297.487 2.393 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OC2CCC2)CC1 ZINC000872282223 649342777 /nfs/dbraw/zinc/34/27/77/649342777.db2.gz DWPHXINLWJMTDG-RDJZCZTQSA-N 2 1 298.471 2.111 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OC2CCC2)CC1 ZINC000872282223 649342780 /nfs/dbraw/zinc/34/27/80/649342780.db2.gz DWPHXINLWJMTDG-RDJZCZTQSA-N 2 1 298.471 2.111 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872282223 649342783 /nfs/dbraw/zinc/34/27/83/649342783.db2.gz DWPHXINLWJMTDG-RDJZCZTQSA-N 2 1 298.471 2.111 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872282223 649342786 /nfs/dbraw/zinc/34/27/86/649342786.db2.gz DWPHXINLWJMTDG-RDJZCZTQSA-N 2 1 298.471 2.111 20 0 CEADMP C[C@H]1C[C@H](N(C)Cc2cc3c(s2)CC[NH2+]C3)CC[N@H+]1C ZINC000873208360 649589486 /nfs/dbraw/zinc/58/94/86/649589486.db2.gz UTFLIPOYSLJKTG-GXTWGEPZSA-N 2 1 293.480 2.308 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)CCN1C ZINC000873208360 649589488 /nfs/dbraw/zinc/58/94/88/649589488.db2.gz UTFLIPOYSLJKTG-GXTWGEPZSA-N 2 1 293.480 2.308 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)CCN1C ZINC000873208360 649589490 /nfs/dbraw/zinc/58/94/90/649589490.db2.gz UTFLIPOYSLJKTG-GXTWGEPZSA-N 2 1 293.480 2.308 20 0 CEADMP CC[C@]1(CO)CCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208741 649590296 /nfs/dbraw/zinc/59/02/96/649590296.db2.gz UKPJOXPXURJUEA-OAHLLOKOSA-N 2 1 280.437 2.131 20 0 CEADMP [NH3+][C@H](CNCc1cc2c(s1)CC[NH2+]C2)c1ccccc1 ZINC000873210378 649590792 /nfs/dbraw/zinc/59/07/92/649590792.db2.gz DLFVMGLXLPDHIU-OAHLLOKOSA-N 2 1 287.432 2.183 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000873219914 649595546 /nfs/dbraw/zinc/59/55/46/649595546.db2.gz HGWMQVIZWHNUHN-ZTFGCOKTSA-N 3 1 287.451 2.457 20 0 CEADMP [NH3+]CC1(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000873232227 649603404 /nfs/dbraw/zinc/60/34/04/649603404.db2.gz NMJIBLSIDHKWPX-GDBMZVCRSA-N 3 1 279.472 2.345 20 0 CEADMP [NH3+]CC1(CN2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000873232227 649603407 /nfs/dbraw/zinc/60/34/07/649603407.db2.gz NMJIBLSIDHKWPX-GDBMZVCRSA-N 2 1 279.472 2.345 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)C[NH2+]2)cn1 ZINC000873237595 649604981 /nfs/dbraw/zinc/60/49/81/649604981.db2.gz ROJLWHJLTHKSAR-HIFRSBDPSA-N 2 1 291.439 2.389 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254655 649611814 /nfs/dbraw/zinc/61/18/14/649611814.db2.gz ZWTRDPLNUNLCQI-OWLYRPNTSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254655 649611819 /nfs/dbraw/zinc/61/18/19/649611819.db2.gz ZWTRDPLNUNLCQI-OWLYRPNTSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000873258006 649613498 /nfs/dbraw/zinc/61/34/98/649613498.db2.gz WQHYCPXHXKDQRC-VDHUWJSZSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000873258006 649613499 /nfs/dbraw/zinc/61/34/99/649613499.db2.gz WQHYCPXHXKDQRC-VDHUWJSZSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000873263754 649616670 /nfs/dbraw/zinc/61/66/70/649616670.db2.gz ZJDFOOVRBAJANZ-GXFFZTMASA-N 2 1 298.228 2.322 20 0 CEADMP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)nc1 ZINC000873296276 649631778 /nfs/dbraw/zinc/63/17/78/649631778.db2.gz DWYIORYLDARKRM-RKDXNWHRSA-N 2 1 273.302 2.359 20 0 CEADMP C=C/C=C/CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000878325547 651068541 /nfs/dbraw/zinc/06/85/41/651068541.db2.gz SSZFFIVKSFQYSB-WBXGCANISA-N 2 1 277.456 2.077 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000878550054 651127928 /nfs/dbraw/zinc/12/79/28/651127928.db2.gz UOTJVBNHOAOZDM-GJZGRUSLSA-N 2 1 266.429 2.219 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878864737 651200338 /nfs/dbraw/zinc/20/03/38/651200338.db2.gz NGEKWLIOCDBUKJ-UHFFFAOYSA-N 2 1 282.428 2.138 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CCC3(CCC3)O2)CCO1 ZINC000879000253 651225829 /nfs/dbraw/zinc/22/58/29/651225829.db2.gz AHCZUMJPNLYVNO-HOTGVXAUSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)CCO1 ZINC000879000253 651225832 /nfs/dbraw/zinc/22/58/32/651225832.db2.gz AHCZUMJPNLYVNO-HOTGVXAUSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@](C)([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000879127651 651247232 /nfs/dbraw/zinc/24/72/32/651247232.db2.gz APLHDZHWXUQYMJ-IRXDYDNUSA-N 2 1 294.414 2.497 20 0 CEADMP CCc1nnc([C@@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)[nH]1 ZINC000879250475 651270134 /nfs/dbraw/zinc/27/01/34/651270134.db2.gz FXWAWPXTHMRVEP-CYBMUJFWSA-N 2 1 291.443 2.236 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCCOC(C)(C)C)CC[C@@H]21 ZINC000879575857 651324532 /nfs/dbraw/zinc/32/45/32/651324532.db2.gz NMDJWMNNJYAOKK-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCCOC(C)(C)C)CC[C@@H]21 ZINC000879575857 651324534 /nfs/dbraw/zinc/32/45/34/651324534.db2.gz NMDJWMNNJYAOKK-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCCOC(C)(C)C)CC[C@@H]21 ZINC000879575857 651324536 /nfs/dbraw/zinc/32/45/36/651324536.db2.gz NMDJWMNNJYAOKK-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCOC(C)(C)C)CC[C@@H]21 ZINC000879575857 651324538 /nfs/dbraw/zinc/32/45/38/651324538.db2.gz NMDJWMNNJYAOKK-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)C[N@@H+](C[C@@H](O)C(C)C)CC1CC[NH+](C)CC1 ZINC000879702989 651341473 /nfs/dbraw/zinc/34/14/73/651341473.db2.gz BQKKPOHLZAAWBT-MRXNPFEDSA-N 2 1 270.461 2.303 20 0 CEADMP CC(C)C[N@H+](Cc1ncccn1)CC1CC[NH+](C)CC1 ZINC000879703444 651341558 /nfs/dbraw/zinc/34/15/58/651341558.db2.gz MJUSEGRRONHGLA-UHFFFAOYSA-N 2 1 276.428 2.276 20 0 CEADMP CC(C)C[N@@H+](C[C@H]1CCCN1C)CC1CC[NH+](C)CC1 ZINC000879703797 651341728 /nfs/dbraw/zinc/34/17/28/651341728.db2.gz XPOPDAUZEWRZOK-QGZVFWFLSA-N 2 1 281.488 2.380 20 0 CEADMP CN(C)C(=O)CCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879951319 651364494 /nfs/dbraw/zinc/36/44/94/651364494.db2.gz KUDGFFNWDYEMMP-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP CCCCOCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472421 651446765 /nfs/dbraw/zinc/44/67/65/651446765.db2.gz NKQISHYOLFNAOK-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP CC1([NH+]2CCC2)CC[NH+](CCOC2CCC2)CC1 ZINC000880473824 651447191 /nfs/dbraw/zinc/44/71/91/651447191.db2.gz AMVJJEJEEVYPFZ-UHFFFAOYSA-N 2 1 252.402 2.116 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c2c(c1)COCC2 ZINC000882892987 652253619 /nfs/dbraw/zinc/25/36/19/652253619.db2.gz JXJYTUXCCBLPGX-QZTJIDSGSA-N 2 1 286.419 2.476 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c2c(c1)COCC2 ZINC000882892987 652253621 /nfs/dbraw/zinc/25/36/21/652253621.db2.gz JXJYTUXCCBLPGX-QZTJIDSGSA-N 2 1 286.419 2.476 20 0 CEADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000130650297 652305950 /nfs/dbraw/zinc/30/59/50/652305950.db2.gz FMSJPVIXAPMSEF-TUVASFSCSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000130650297 652305952 /nfs/dbraw/zinc/30/59/52/652305952.db2.gz FMSJPVIXAPMSEF-TUVASFSCSA-N 2 1 252.402 2.018 20 0 CEADMP CC1(C)CC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)OC1 ZINC000883249194 652414675 /nfs/dbraw/zinc/41/46/75/652414675.db2.gz XEYOYYKGSBBNGG-HZPDHXFCSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CCOCC3)CO2)CC[N@H+]1C ZINC000883262801 652418138 /nfs/dbraw/zinc/41/81/38/652418138.db2.gz UVTDFWMMUSOEOL-OWCLPIDISA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H](CCO)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883347707 652437693 /nfs/dbraw/zinc/43/76/93/652437693.db2.gz XSODRAWNMPUJJS-YOEHRIQHSA-N 2 1 289.423 2.154 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)C1CCCCC1 ZINC000883429681 652467098 /nfs/dbraw/zinc/46/70/98/652467098.db2.gz BNFZWARQLVZYIT-HOTGVXAUSA-N 2 1 296.455 2.212 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C(C)(C)O1 ZINC000883433032 652468405 /nfs/dbraw/zinc/46/84/05/652468405.db2.gz HFXLFTHSIBPNDZ-BBRMVZONSA-N 2 1 266.429 2.408 20 0 CEADMP [NH3+][C@H]1CCCCC[N@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000883438321 652470291 /nfs/dbraw/zinc/47/02/91/652470291.db2.gz QKIDBYXTNLUQOS-JKSUJKDBSA-N 2 1 296.455 2.166 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000883438321 652470293 /nfs/dbraw/zinc/47/02/93/652470293.db2.gz QKIDBYXTNLUQOS-JKSUJKDBSA-N 2 1 296.455 2.166 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000883442898 652471471 /nfs/dbraw/zinc/47/14/71/652471471.db2.gz VNHDBQHCRWXDNY-MELADBBJSA-N 2 1 283.460 2.177 20 0 CEADMP COc1cccc([C@H]2CNCC[N@@H+]2CCCCCC[NH3+])c1 ZINC000883454468 652475600 /nfs/dbraw/zinc/47/56/00/652475600.db2.gz CGCPAQPDSKDWKK-QGZVFWFLSA-N 2 1 291.439 2.161 20 0 CEADMP COc1cccc([C@H]2CNCC[N@H+]2CCCCCC[NH3+])c1 ZINC000883454468 652475601 /nfs/dbraw/zinc/47/56/01/652475601.db2.gz CGCPAQPDSKDWKK-QGZVFWFLSA-N 2 1 291.439 2.161 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884221021 652756912 /nfs/dbraw/zinc/75/69/12/652756912.db2.gz HRXVFKLUBFSGAM-GJZGRUSLSA-N 2 1 283.460 2.001 20 0 CEADMP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000884232136 652759656 /nfs/dbraw/zinc/75/96/56/652759656.db2.gz JOPPRMZVGICYST-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000925482758 652786875 /nfs/dbraw/zinc/78/68/75/652786875.db2.gz UVTVJFUSSCBLIW-CQSZACIVSA-N 2 1 272.396 2.226 20 0 CEADMP C[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@@H](C)C[N@H+]1C ZINC001164641640 719233542 /nfs/dbraw/zinc/23/35/42/719233542.db2.gz UUKUMKBWMMEOAG-CABCVRRESA-N 2 1 288.439 2.206 20 0 CEADMP CC(=O)[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001966 805639823 /nfs/dbraw/zinc/63/98/23/805639823.db2.gz ARWDMSVPANTGRM-VPSFDDGASA-N 2 1 276.424 2.303 20 0 CEADMP CC(=O)[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168001966 805639827 /nfs/dbraw/zinc/63/98/27/805639827.db2.gz ARWDMSVPANTGRM-VPSFDDGASA-N 2 1 276.424 2.303 20 0 CEADMP CC(=O)[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168001966 805639830 /nfs/dbraw/zinc/63/98/30/805639830.db2.gz ARWDMSVPANTGRM-VPSFDDGASA-N 2 1 276.424 2.303 20 0 CEADMP CCOC(=O)c1ccc(CCC[N@@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204762631 805744184 /nfs/dbraw/zinc/74/41/84/805744184.db2.gz AJBJUOGZPOJOEB-QGZVFWFLSA-N 2 1 290.407 2.219 20 0 CEADMP CCOC(=O)c1ccc(CCC[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204762631 805744191 /nfs/dbraw/zinc/74/41/91/805744191.db2.gz AJBJUOGZPOJOEB-QGZVFWFLSA-N 2 1 290.407 2.219 20 0 CEADMP CC(C)CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168029470 805819158 /nfs/dbraw/zinc/81/91/58/805819158.db2.gz FYERAWRHBOVGKX-CVEARBPZSA-N 2 1 295.471 2.145 20 0 CEADMP CCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001271567611 805993727 /nfs/dbraw/zinc/99/37/27/805993727.db2.gz ZFOHPBVNCDCLDB-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001088317852 806114741 /nfs/dbraw/zinc/11/47/41/806114741.db2.gz PXVHYSJNCXSJDX-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001271862517 806122879 /nfs/dbraw/zinc/12/28/79/806122879.db2.gz YLKWGTNTMDZAFM-JKSUJKDBSA-N 2 1 297.487 2.391 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)CC)CC1 ZINC001029969845 806324246 /nfs/dbraw/zinc/32/42/46/806324246.db2.gz ZBBYJZXGGSLEIG-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CC)CC1 ZINC001029969845 806324256 /nfs/dbraw/zinc/32/42/56/806324256.db2.gz ZBBYJZXGGSLEIG-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC)CC1 ZINC001029969845 806324266 /nfs/dbraw/zinc/32/42/66/806324266.db2.gz ZBBYJZXGGSLEIG-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088563186 806419448 /nfs/dbraw/zinc/41/94/48/806419448.db2.gz GWQOVPKUSUTYSF-OWCLPIDISA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088563186 806419452 /nfs/dbraw/zinc/41/94/52/806419452.db2.gz GWQOVPKUSUTYSF-OWCLPIDISA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088563186 806419457 /nfs/dbraw/zinc/41/94/57/806419457.db2.gz GWQOVPKUSUTYSF-OWCLPIDISA-N 2 1 295.471 2.094 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([N@@H+](C)CC1CC[NH+](C)CC1)C2 ZINC001168274683 806562689 /nfs/dbraw/zinc/56/26/89/806562689.db2.gz VHTORFYLGFAXCV-KRWDZBQOSA-N 2 1 288.435 2.436 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@]3(CC[NH+](C)C3)C1)C2 ZINC001168282688 806605761 /nfs/dbraw/zinc/60/57/61/806605761.db2.gz LNXXXDKIPGPNRY-WMZOPIPTSA-N 2 1 286.419 2.190 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH+]1CC[C@]3(CC[N@H+](C)C3)C1)C2 ZINC001168282688 806605764 /nfs/dbraw/zinc/60/57/64/806605764.db2.gz LNXXXDKIPGPNRY-WMZOPIPTSA-N 2 1 286.419 2.190 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH+]1CC[C@]3(CC[N@@H+](C)C3)C1)C2 ZINC001168282688 806605771 /nfs/dbraw/zinc/60/57/71/806605771.db2.gz LNXXXDKIPGPNRY-WMZOPIPTSA-N 2 1 286.419 2.190 20 0 CEADMP CCC[NH2+]CC1(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168297030 806633672 /nfs/dbraw/zinc/63/36/72/806633672.db2.gz DGSAQOPRNUBXEK-GASCZTMLSA-N 2 1 295.471 2.145 20 0 CEADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168327007 806657215 /nfs/dbraw/zinc/65/72/15/806657215.db2.gz IMSZLDVJVZFDMH-WUPYBSFASA-N 2 1 294.439 2.133 20 0 CEADMP C[NH+](C)C1CCC([N@@H+]2CCOC[C@H]2c2cccnc2)CC1 ZINC001168328234 806657928 /nfs/dbraw/zinc/65/79/28/806657928.db2.gz AZTJBBGTJOUYOC-JCYILVPMSA-N 2 1 289.423 2.328 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCOC[C@H]2c2cccnc2)CC1 ZINC001168328234 806657931 /nfs/dbraw/zinc/65/79/31/806657931.db2.gz AZTJBBGTJOUYOC-JCYILVPMSA-N 2 1 289.423 2.328 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@H](C)[NH+](C)C)o1 ZINC000697839590 806703212 /nfs/dbraw/zinc/70/32/12/806703212.db2.gz UBHSDKPRBDPPSU-NSHDSACASA-N 2 1 276.384 2.408 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001101036674 806704948 /nfs/dbraw/zinc/70/49/48/806704948.db2.gz XXMUUVKYAJUUHC-UHFFFAOYSA-N 2 1 297.487 2.247 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088810075 806741858 /nfs/dbraw/zinc/74/18/58/806741858.db2.gz CVXNRPGEVLOFOU-PMPSAXMXSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001088810075 806741865 /nfs/dbraw/zinc/74/18/65/806741865.db2.gz CVXNRPGEVLOFOU-PMPSAXMXSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001088810075 806741870 /nfs/dbraw/zinc/74/18/70/806741870.db2.gz CVXNRPGEVLOFOU-PMPSAXMXSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@H+](C2CC[NH+](CC3CC3)CC2)CCC[C@]1(C)O ZINC001168371414 806952115 /nfs/dbraw/zinc/95/21/15/806952115.db2.gz FXAVHDNISSTVFE-PBHICJAKSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@](O)(C(F)(F)F)C2)C1 ZINC001208606077 802390108 /nfs/dbraw/zinc/39/01/08/802390108.db2.gz DTFZSCDESBJGSA-CHWSQXEVSA-N 2 1 294.361 2.108 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)C1 ZINC001208606077 802390115 /nfs/dbraw/zinc/39/01/15/802390115.db2.gz DTFZSCDESBJGSA-CHWSQXEVSA-N 2 1 294.361 2.108 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@](O)(C(F)(F)F)C2)C1 ZINC001208606077 802390122 /nfs/dbraw/zinc/39/01/22/802390122.db2.gz DTFZSCDESBJGSA-CHWSQXEVSA-N 2 1 294.361 2.108 20 0 CEADMP COC(=O)[C@H](C)C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001208711484 802403124 /nfs/dbraw/zinc/40/31/24/802403124.db2.gz FLBXHODSPRCIDZ-CQSZACIVSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@H](C)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001208711484 802403129 /nfs/dbraw/zinc/40/31/29/802403129.db2.gz FLBXHODSPRCIDZ-CQSZACIVSA-N 2 1 294.439 2.136 20 0 CEADMP Cc1[nH+]c2ccc(F)cn2c1NC1=CC[N@H+](C)CC1 ZINC001208802591 802418745 /nfs/dbraw/zinc/41/87/45/802418745.db2.gz NRPNRCXOYAJMOD-UHFFFAOYSA-N 2 1 260.316 2.413 20 0 CEADMP Cc1[nH+]c2ccc(F)cn2c1NC1=CC[N@@H+](C)CC1 ZINC001208802591 802418751 /nfs/dbraw/zinc/41/87/51/802418751.db2.gz NRPNRCXOYAJMOD-UHFFFAOYSA-N 2 1 260.316 2.413 20 0 CEADMP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266308224 802424346 /nfs/dbraw/zinc/42/43/46/802424346.db2.gz RSXSNSLZXGBGDG-DZEZYYDTSA-N 2 1 293.455 2.018 20 0 CEADMP CCC/C=C/CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266308224 802424349 /nfs/dbraw/zinc/42/43/49/802424349.db2.gz RSXSNSLZXGBGDG-DZEZYYDTSA-N 2 1 293.455 2.018 20 0 CEADMP CCC/C=C/CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266308224 802424353 /nfs/dbraw/zinc/42/43/53/802424353.db2.gz RSXSNSLZXGBGDG-DZEZYYDTSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCCC2OCCO2)CC1 ZINC001209312046 802497187 /nfs/dbraw/zinc/49/71/87/802497187.db2.gz JBXGMTMINJWEHQ-UHFFFAOYSA-N 2 1 284.444 2.192 20 0 CEADMP CN(CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000089907607 802528462 /nfs/dbraw/zinc/52/84/62/802528462.db2.gz WHYTZYWCYJVWJH-QGZVFWFLSA-N 2 1 275.440 2.144 20 0 CEADMP CC(C)[N@H+]1CCN(CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001209453489 802533747 /nfs/dbraw/zinc/53/37/47/802533747.db2.gz JPESOMAVSKJFDI-INIZCTEOSA-N 2 1 267.461 2.277 20 0 CEADMP c1cc2c(c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c1)OCC2 ZINC000693113642 802654607 /nfs/dbraw/zinc/65/46/07/802654607.db2.gz ZGPGLPBLVOEKLJ-HZPDHXFCSA-N 2 1 272.392 2.338 20 0 CEADMP c1cc2c(c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c1)OCC2 ZINC000693113642 802654611 /nfs/dbraw/zinc/65/46/11/802654611.db2.gz ZGPGLPBLVOEKLJ-HZPDHXFCSA-N 2 1 272.392 2.338 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000693118105 802655424 /nfs/dbraw/zinc/65/54/24/802655424.db2.gz ROXCWKYQRCDVGB-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000693118105 802655427 /nfs/dbraw/zinc/65/54/27/802655427.db2.gz ROXCWKYQRCDVGB-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc([Si](C)(C)C)cc3)C[C@@H]2C1 ZINC000706256829 802672321 /nfs/dbraw/zinc/67/23/21/802672321.db2.gz RYNZKXAMULJNDI-IYBDPMFKSA-N 2 1 288.511 2.225 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc([Si](C)(C)C)cc3)C[C@@H]2C1 ZINC000706256829 802672324 /nfs/dbraw/zinc/67/23/24/802672324.db2.gz RYNZKXAMULJNDI-IYBDPMFKSA-N 2 1 288.511 2.225 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc([Si](C)(C)C)cc3)C[C@@H]2C1 ZINC000706256829 802672329 /nfs/dbraw/zinc/67/23/29/802672329.db2.gz RYNZKXAMULJNDI-IYBDPMFKSA-N 2 1 288.511 2.225 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc([Si](C)(C)C)cc3)C[C@@H]2C1 ZINC000706256829 802672330 /nfs/dbraw/zinc/67/23/30/802672330.db2.gz RYNZKXAMULJNDI-IYBDPMFKSA-N 2 1 288.511 2.225 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CC[C@@H]1CCCC[NH+]1C ZINC000710780925 809993186 /nfs/dbraw/zinc/99/31/86/809993186.db2.gz LTQFCOIUHMBESP-HNNXBMFYSA-N 3 1 255.450 2.312 20 0 CEADMP C[NH+](CCCCCC[NH3+])CC[C@@H]1CCCC[N@@H+]1C ZINC000710780925 809993187 /nfs/dbraw/zinc/99/31/87/809993187.db2.gz LTQFCOIUHMBESP-HNNXBMFYSA-N 3 1 255.450 2.312 20 0 CEADMP C[NH+](CCCCCC[NH3+])CC[C@@H]1CCCC[N@H+]1C ZINC000710780925 809993189 /nfs/dbraw/zinc/99/31/89/809993189.db2.gz LTQFCOIUHMBESP-HNNXBMFYSA-N 2 1 255.450 2.312 20 0 CEADMP CN1CCCC[C@H]1CC[N@H+](C)CCCCCC[NH3+] ZINC000710780925 809993191 /nfs/dbraw/zinc/99/31/91/809993191.db2.gz LTQFCOIUHMBESP-HNNXBMFYSA-N 2 1 255.450 2.312 20 0 CEADMP CN1CCCC[C@H]1CC[N@@H+](C)CCCCCC[NH3+] ZINC000710780925 809993192 /nfs/dbraw/zinc/99/31/92/809993192.db2.gz LTQFCOIUHMBESP-HNNXBMFYSA-N 2 1 255.450 2.312 20 0 CEADMP FC(F)(F)[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000687575159 802704407 /nfs/dbraw/zinc/70/44/07/802704407.db2.gz BCDKREPYNHYJPR-VXGBXAGGSA-N 2 1 280.334 2.029 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000723609386 802903184 /nfs/dbraw/zinc/90/31/84/802903184.db2.gz MMHCENYZMJKSQP-KLHDSHLOSA-N 2 1 266.429 2.123 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000723677179 802923182 /nfs/dbraw/zinc/92/31/82/802923182.db2.gz RTHWHSACAFDAOI-NSHDSACASA-N 2 1 261.325 2.105 20 0 CEADMP CC(C)CC[NH2+]CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001266835958 802932795 /nfs/dbraw/zinc/93/27/95/802932795.db2.gz BSYGNVTXJJPVCI-UHFFFAOYSA-N 2 1 285.476 2.058 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@H]1CC[NH3+] ZINC000723883754 802963781 /nfs/dbraw/zinc/96/37/81/802963781.db2.gz QIZUSZQDHRBAGX-GHMZBOCLSA-N 2 1 254.324 2.382 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCC2CCOCC2)C[C@H]1CC[NH3+] ZINC000723902790 802966559 /nfs/dbraw/zinc/96/65/59/802966559.db2.gz ZTEGDXJYJAJJBG-GDBMZVCRSA-N 2 1 268.445 2.500 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCCOC1 ZINC000723951865 802973231 /nfs/dbraw/zinc/97/32/31/802973231.db2.gz POKSYWFJEPVDEK-TUVASFSCSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCCOC1 ZINC000723951865 802973236 /nfs/dbraw/zinc/97/32/36/802973236.db2.gz POKSYWFJEPVDEK-TUVASFSCSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1CC[C@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000399194839 802978960 /nfs/dbraw/zinc/97/89/60/802978960.db2.gz RRQQIQFJHAZMOI-NJAFHUGGSA-N 2 1 287.451 2.381 20 0 CEADMP Cc1cn(C)nc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000723985536 802985981 /nfs/dbraw/zinc/98/59/81/802985981.db2.gz MNGDECYLZSVGSB-IUODEOHRSA-N 2 1 264.417 2.068 20 0 CEADMP CC(C)(C)CCC[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896111 813172175 /nfs/dbraw/zinc/17/21/75/813172175.db2.gz CNJGIEFHVNJPIP-UHFFFAOYSA-N 2 1 297.487 2.250 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001204598838 803231112 /nfs/dbraw/zinc/23/11/12/803231112.db2.gz QIIQIKDYFLFBOZ-MRXNPFEDSA-N 2 1 287.451 2.324 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)C12CCC2 ZINC000405354717 803369408 /nfs/dbraw/zinc/36/94/08/803369408.db2.gz QHOCDMBUESFNLU-STQMWFEESA-N 2 1 252.308 2.324 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000721572843 803418984 /nfs/dbraw/zinc/41/89/84/803418984.db2.gz CKCFHCCPPXVPJP-HUUCEWRRSA-N 2 1 266.429 2.432 20 0 CEADMP C[N@H+](Cc1cncc(Br)c1)CC1CC[NH2+]CC1 ZINC000167449902 803599733 /nfs/dbraw/zinc/59/97/33/803599733.db2.gz HUGLJMRCIGUCKD-UHFFFAOYSA-N 2 1 298.228 2.276 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC(C)C ZINC001038329342 803622636 /nfs/dbraw/zinc/62/26/36/803622636.db2.gz PSGJHPRTYXACHU-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[NH+]1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267647712 803641072 /nfs/dbraw/zinc/64/10/72/803641072.db2.gz UKZNCUNXLUBWDZ-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP [NH3+]CCc1ccn(-c2ccc3c(c2)[nH]c2cc[nH+]cc23)n1 ZINC001167731566 803694907 /nfs/dbraw/zinc/69/49/07/803694907.db2.gz KOHZGKANRIYHET-UHFFFAOYSA-N 2 1 277.331 2.403 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)CC[C@H]1[NH3+] ZINC000715483122 814960253 /nfs/dbraw/zinc/96/02/53/814960253.db2.gz RGJAVTGAQRHPKY-BEAPCOKYSA-N 2 1 252.402 2.003 20 0 CEADMP C[C@H]1C[C@@H](NCCC(C)(C)[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398162507 803855900 /nfs/dbraw/zinc/85/59/00/803855900.db2.gz CMZFVFSADWLEFR-GOEBONIOSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])CN1Cc1ccccc1 ZINC000398162507 803855909 /nfs/dbraw/zinc/85/59/09/803855909.db2.gz CMZFVFSADWLEFR-GOEBONIOSA-N 2 1 275.440 2.366 20 0 CEADMP C[N@@H+](C[C@H]1CC[C@@H](C2CC2)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000715539195 814973764 /nfs/dbraw/zinc/97/37/64/814973764.db2.gz YJBRWPFAFRQEOP-FVPDABNVSA-N 2 1 264.413 2.159 20 0 CEADMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1)[NH+](C)C ZINC001027578268 804133164 /nfs/dbraw/zinc/13/31/64/804133164.db2.gz HOAODSQEKQJKBJ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1[nH+]c(N)ccc1CNc1cccc(C[NH+](C)C)n1 ZINC001167785882 804164676 /nfs/dbraw/zinc/16/46/76/804164676.db2.gz DENJEGDMDJIYLW-UHFFFAOYSA-N 2 1 271.368 2.041 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]12CCOC2 ZINC001167833694 804412582 /nfs/dbraw/zinc/41/25/82/804412582.db2.gz DHFOBFXCERMDKL-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccncn1 ZINC001167834836 804420441 /nfs/dbraw/zinc/42/04/41/804420441.db2.gz NDXNUSLSTVXINZ-AWEZNQCLSA-N 2 1 264.417 2.419 20 0 CEADMP FC(F)(F)[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)O1 ZINC000722400230 804424496 /nfs/dbraw/zinc/42/44/96/804424496.db2.gz DFKSEUBPCNTHDX-QWHCGFSZSA-N 2 1 292.345 2.313 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@](C)(C(=O)OC)C1 ZINC001167835955 804428160 /nfs/dbraw/zinc/42/81/60/804428160.db2.gz WLUHPARIVISMEX-ZBFHGGJFSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](C(C)=O)C1 ZINC001167840648 804442186 /nfs/dbraw/zinc/44/21/86/804442186.db2.gz GVXPPGIWIOSTRH-ZFWWWQNUSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1cc2cc(NC(=[NH2+])NCCCC[NH3+])ccc2c[nH+]1 ZINC001167884136 804566298 /nfs/dbraw/zinc/56/62/98/804566298.db2.gz RMIUMQHPKDVTHD-UHFFFAOYSA-N 3 1 271.368 2.218 20 0 CEADMP CCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001028579561 804847701 /nfs/dbraw/zinc/84/77/01/804847701.db2.gz GXVLOWBUMKFPOP-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001028579561 804847711 /nfs/dbraw/zinc/84/77/11/804847711.db2.gz GXVLOWBUMKFPOP-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001028579561 804847720 /nfs/dbraw/zinc/84/77/20/804847720.db2.gz GXVLOWBUMKFPOP-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268945894 805008973 /nfs/dbraw/zinc/00/89/73/805008973.db2.gz ICFJXMDDRCYDSM-HOTGVXAUSA-N 2 1 297.487 2.058 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001269049921 805033710 /nfs/dbraw/zinc/03/37/10/805033710.db2.gz BSYCQOXBJSQNCI-HUUCEWRRSA-N 2 1 295.471 2.001 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001269049919 805034240 /nfs/dbraw/zinc/03/42/40/805034240.db2.gz BSYCQOXBJSQNCI-CABCVRRESA-N 2 1 295.471 2.001 20 0 CEADMP CCC[C@H](C[NH2+]C[C@H](C)Cn1cc[nH+]c1C)OC ZINC001119239859 815078575 /nfs/dbraw/zinc/07/85/75/815078575.db2.gz OGWUYDBUXUUFTP-GXTWGEPZSA-N 2 1 253.390 2.232 20 0 CEADMP C[C@H]1COCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167983807 805521978 /nfs/dbraw/zinc/52/19/78/805521978.db2.gz IEJVQJBQIXWUGB-KTFSGNIMSA-N 2 1 278.440 2.360 20 0 CEADMP C[C@H]1COCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167983807 805521982 /nfs/dbraw/zinc/52/19/82/805521982.db2.gz IEJVQJBQIXWUGB-KTFSGNIMSA-N 2 1 278.440 2.360 20 0 CEADMP C[C@H]1COCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167983807 805521988 /nfs/dbraw/zinc/52/19/88/805521988.db2.gz IEJVQJBQIXWUGB-KTFSGNIMSA-N 2 1 278.440 2.360 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001272419525 807471087 /nfs/dbraw/zinc/47/10/87/807471087.db2.gz GIIMEXCJSDMNGR-WBVHZDCISA-N 2 1 295.471 2.051 20 0 CEADMP CO[C@@H]([C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000388294462 807634985 /nfs/dbraw/zinc/63/49/85/807634985.db2.gz YYVLGEIMIJZFLR-OKFLDJDMSA-N 2 1 252.402 2.015 20 0 CEADMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001205117516 807706011 /nfs/dbraw/zinc/70/60/11/807706011.db2.gz PXMZCGDEZCOLKY-ZDUSSCGKSA-N 2 1 271.364 2.254 20 0 CEADMP CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001106336690 807727136 /nfs/dbraw/zinc/72/71/36/807727136.db2.gz ZTHTUCWELUIOHW-HUUCEWRRSA-N 2 1 297.487 2.201 20 0 CEADMP OCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716710628 815143224 /nfs/dbraw/zinc/14/32/24/815143224.db2.gz FRLHUGWGVNKXIF-BBWFWOEESA-N 2 1 274.408 2.012 20 0 CEADMP COCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716714768 815143247 /nfs/dbraw/zinc/14/32/47/815143247.db2.gz WCGDQYWCSVCGTG-ULQDDVLXSA-N 2 1 274.408 2.276 20 0 CEADMP OCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716728257 815144422 /nfs/dbraw/zinc/14/44/22/815144422.db2.gz NWDNLENPAFKHQA-KSZLIROESA-N 2 1 288.435 2.402 20 0 CEADMP COC(C)(C)CCC[C@@H](C)CCN1C[C@H]([NH3+])C2(COC2)C1 ZINC001237176358 808201046 /nfs/dbraw/zinc/20/10/46/808201046.db2.gz PUFDLNLKFQKIDF-CABCVRRESA-N 2 1 298.471 2.267 20 0 CEADMP C[N@@H+](Cc1cnn(C(C)(C)C)c1)C1CCC([NH3+])CC1 ZINC000691258394 808260538 /nfs/dbraw/zinc/26/05/38/808260538.db2.gz ASAKOGDJNKOVCU-UHFFFAOYSA-N 2 1 264.417 2.340 20 0 CEADMP Cc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C)C1)C2 ZINC001171552581 815195153 /nfs/dbraw/zinc/19/51/53/815195153.db2.gz ZWUCMNAFXRAQBR-GDBMZVCRSA-N 2 1 258.409 2.394 20 0 CEADMP C[NH+]1C(C)(C)CC([N@@H+]2C[C@H](F)C[C@H](CO)C2)CC1(C)C ZINC001171630760 815201446 /nfs/dbraw/zinc/20/14/46/815201446.db2.gz AXOPLHWCUVADMW-QWHCGFSZSA-N 2 1 286.435 2.290 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@H](F)C[C@H](CO)C2)CC1(C)C ZINC001171630760 815201451 /nfs/dbraw/zinc/20/14/51/815201451.db2.gz AXOPLHWCUVADMW-QWHCGFSZSA-N 2 1 286.435 2.290 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)CC[NH2+]1 ZINC000687576101 808371309 /nfs/dbraw/zinc/37/13/09/808371309.db2.gz HZCDJVJFQPGYLL-IJLUTSLNSA-N 2 1 280.334 2.028 20 0 CEADMP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCOC[C@@H]2F)CC1(C)C ZINC001171623318 815206231 /nfs/dbraw/zinc/20/62/31/815206231.db2.gz SYKFZCMABKMBMX-QWHCGFSZSA-N 2 1 272.408 2.354 20 0 CEADMP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCOC[C@H]2F)CC1(C)C ZINC001171623316 815206588 /nfs/dbraw/zinc/20/65/88/815206588.db2.gz SYKFZCMABKMBMX-CHWSQXEVSA-N 2 1 272.408 2.354 20 0 CEADMP CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692173 808478553 /nfs/dbraw/zinc/47/85/53/808478553.db2.gz JNLVOCLOKHZLFE-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP CC(=O)N(C)[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641639 815215071 /nfs/dbraw/zinc/21/50/71/815215071.db2.gz RTMSMINDSMSXOQ-CQSZACIVSA-N 2 1 295.471 2.190 20 0 CEADMP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@@](O)(C[NH3+])CC2)o1 ZINC001205212345 808575211 /nfs/dbraw/zinc/57/52/11/808575211.db2.gz ZFOCXZRNXDZEOZ-BBRMVZONSA-N 2 1 280.412 2.257 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccsc1 ZINC001171731548 815219350 /nfs/dbraw/zinc/21/93/50/815219350.db2.gz ITJYOHWGTBEADY-UHFFFAOYSA-N 2 1 297.468 2.076 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CCCC1CCC1 ZINC001171732134 815219919 /nfs/dbraw/zinc/21/99/19/815219919.db2.gz WZQHQPHTNAKNNX-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120469546 815225330 /nfs/dbraw/zinc/22/53/30/815225330.db2.gz JLKRAPCLYLYTBX-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120469546 815225334 /nfs/dbraw/zinc/22/53/34/815225334.db2.gz JLKRAPCLYLYTBX-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120469546 815225339 /nfs/dbraw/zinc/22/53/39/815225339.db2.gz JLKRAPCLYLYTBX-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OCC ZINC000715493478 808667648 /nfs/dbraw/zinc/66/76/48/808667648.db2.gz ZWADVHONBYLKMF-RUXDESIVSA-N 2 1 270.417 2.181 20 0 CEADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001171767237 815228607 /nfs/dbraw/zinc/22/86/07/815228607.db2.gz LZBCBESIIJDVEI-LULLPPNCSA-N 2 1 299.462 2.428 20 0 CEADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171767237 815228614 /nfs/dbraw/zinc/22/86/14/815228614.db2.gz LZBCBESIIJDVEI-LULLPPNCSA-N 2 1 299.462 2.428 20 0 CEADMP CC[NH+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171767237 815228619 /nfs/dbraw/zinc/22/86/19/815228619.db2.gz LZBCBESIIJDVEI-LULLPPNCSA-N 2 1 299.462 2.428 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000074181325 808920835 /nfs/dbraw/zinc/92/08/35/808920835.db2.gz DCWYRIBOCMPJBC-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000074181325 808920838 /nfs/dbraw/zinc/92/08/38/808920838.db2.gz DCWYRIBOCMPJBC-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000074181325 808920843 /nfs/dbraw/zinc/92/08/43/808920843.db2.gz DCWYRIBOCMPJBC-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC1(C)C[C@H]([NH2+]CCCO)CC[N@H+]1Cc1ccccc1 ZINC001171964046 815253662 /nfs/dbraw/zinc/25/36/62/815253662.db2.gz KAFWEDHBWOIUME-MRXNPFEDSA-N 2 1 276.424 2.402 20 0 CEADMP COc1ccc(CC[N@H+]2CC[C@H](N)[C@@H](F)CC2)cc1OC ZINC001206155047 815266872 /nfs/dbraw/zinc/26/68/72/815266872.db2.gz KZCYFXXOCDEGIM-KBPBESRZSA-N 2 1 296.386 2.008 20 0 CEADMP COc1ccc(CCN2CC[C@H]([NH3+])[C@@H](F)CC2)cc1OC ZINC001206155047 815266876 /nfs/dbraw/zinc/26/68/76/815266876.db2.gz KZCYFXXOCDEGIM-KBPBESRZSA-N 2 1 296.386 2.008 20 0 CEADMP COC(=O)C1(C)CCC([NH2+]CC[C@H]2CCC[N@H+]2C)CC1 ZINC001168752569 809274979 /nfs/dbraw/zinc/27/49/79/809274979.db2.gz OJMKASWEQLYFFY-NPCAHTBFSA-N 2 1 282.428 2.182 20 0 CEADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC001204081436 815279890 /nfs/dbraw/zinc/27/98/90/815279890.db2.gz FFEHBVXFQRVTHC-OAHLLOKOSA-N 2 1 269.348 2.438 20 0 CEADMP Cc1cnccc1O[C@@H]1CCN(Cc2ccncc2)C1 ZINC001204081436 815279896 /nfs/dbraw/zinc/27/98/96/815279896.db2.gz FFEHBVXFQRVTHC-OAHLLOKOSA-N 2 1 269.348 2.438 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000700791247 809347889 /nfs/dbraw/zinc/34/78/89/809347889.db2.gz IOZMXUFQVXXCEN-JSGCOSHPSA-N 2 1 262.401 2.109 20 0 CEADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cs1 ZINC000700813374 809357391 /nfs/dbraw/zinc/35/73/91/809357391.db2.gz OINRTTADAXZZQE-LBPRGKRZSA-N 2 1 296.436 2.356 20 0 CEADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cs1 ZINC000700813374 809357399 /nfs/dbraw/zinc/35/73/99/809357399.db2.gz OINRTTADAXZZQE-LBPRGKRZSA-N 2 1 296.436 2.356 20 0 CEADMP Cc1cc(C)n(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172100462 815284844 /nfs/dbraw/zinc/28/48/44/815284844.db2.gz QXZBVBLLSUHHGE-MUJYYYPQSA-N 2 1 276.428 2.105 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3(CSC3)C1)C2 ZINC001172127672 815287107 /nfs/dbraw/zinc/28/71/07/815287107.db2.gz JGISLZWVDIXYMC-ITGUQSILSA-N 2 1 252.427 2.051 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C1)C2 ZINC001172129305 815289004 /nfs/dbraw/zinc/28/90/04/815289004.db2.gz YCPYCGKLYNJNJN-UOCCSGNCSA-N 2 1 276.424 2.111 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C1)C2 ZINC001172129305 815289005 /nfs/dbraw/zinc/28/90/05/815289005.db2.gz YCPYCGKLYNJNJN-UOCCSGNCSA-N 2 1 276.424 2.111 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C1)C2 ZINC001172129305 815289006 /nfs/dbraw/zinc/28/90/06/815289006.db2.gz YCPYCGKLYNJNJN-UOCCSGNCSA-N 2 1 276.424 2.111 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@H]2C1 ZINC001172129815 815289604 /nfs/dbraw/zinc/28/96/04/815289604.db2.gz LEWMUTLEMMXJLL-DZVNLGKHSA-N 3 1 291.483 2.275 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C[C@H]2C1 ZINC001172129815 815289608 /nfs/dbraw/zinc/28/96/08/815289608.db2.gz LEWMUTLEMMXJLL-DZVNLGKHSA-N 2 1 291.483 2.275 20 0 CEADMP CC[N@H+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001172132677 815290448 /nfs/dbraw/zinc/29/04/48/815290448.db2.gz MPKSCUKCJRHIIU-WCVJEAGWSA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC001172132677 815290451 /nfs/dbraw/zinc/29/04/51/815290451.db2.gz MPKSCUKCJRHIIU-WCVJEAGWSA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC001172132677 815290452 /nfs/dbraw/zinc/29/04/52/815290452.db2.gz MPKSCUKCJRHIIU-WCVJEAGWSA-N 2 1 265.445 2.028 20 0 CEADMP CC(C)[NH+]1CCC(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172102122 815294115 /nfs/dbraw/zinc/29/41/15/815294115.db2.gz KAKGQSCEJITUHL-BJWYYQGGSA-N 2 1 279.472 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1cccc(O)c1)C2 ZINC001172104589 815295375 /nfs/dbraw/zinc/29/53/75/815295375.db2.gz DGAWKEMJJGDDKU-PNBKFKSVSA-N 2 1 290.407 2.031 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cnn(C)c1 ZINC001172105484 815297087 /nfs/dbraw/zinc/29/70/87/815297087.db2.gz IMSSLSSCRXPBRO-NGFQHRJXSA-N 2 1 262.401 2.086 20 0 CEADMP CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034217307 809554455 /nfs/dbraw/zinc/55/44/55/809554455.db2.gz QEIOYXRKFPTESL-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001034217307 809554460 /nfs/dbraw/zinc/55/44/60/809554460.db2.gz QEIOYXRKFPTESL-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001034217307 809554464 /nfs/dbraw/zinc/55/44/64/809554464.db2.gz QEIOYXRKFPTESL-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC3(CC1)OCCO3)C2 ZINC001172110427 815299995 /nfs/dbraw/zinc/29/99/95/815299995.db2.gz NBYRIZWRFPSJOW-PHZGNYQRSA-N 2 1 294.439 2.277 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC3(CC1)OCCO3)C2 ZINC001172110427 815300000 /nfs/dbraw/zinc/30/00/00/815300000.db2.gz NBYRIZWRFPSJOW-PHZGNYQRSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110844 815301022 /nfs/dbraw/zinc/30/10/22/815301022.db2.gz PZVPRQCPKQSXEW-QRJUGERDSA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172110844 815301023 /nfs/dbraw/zinc/30/10/23/815301023.db2.gz PZVPRQCPKQSXEW-QRJUGERDSA-N 2 1 294.439 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(c3cnccn3)CC1)C2 ZINC001172110542 815301351 /nfs/dbraw/zinc/30/13/51/815301351.db2.gz KFZRAUOPXMALRS-QDMKHBRRSA-N 2 1 286.423 2.113 20 0 CEADMP C[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCCO1 ZINC001172115715 815302490 /nfs/dbraw/zinc/30/24/90/815302490.db2.gz ZERUKLMCWPADIJ-XQLPTFJDSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCCO1 ZINC001172115715 815302495 /nfs/dbraw/zinc/30/24/95/815302495.db2.gz ZERUKLMCWPADIJ-XQLPTFJDSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCCO1 ZINC001172115715 815302502 /nfs/dbraw/zinc/30/25/02/815302502.db2.gz ZERUKLMCWPADIJ-XQLPTFJDSA-N 2 1 252.402 2.113 20 0 CEADMP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC001172115715 815302509 /nfs/dbraw/zinc/30/25/09/815302509.db2.gz ZERUKLMCWPADIJ-XQLPTFJDSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CC[NH+](C3CCC3)C1)C2 ZINC001172115608 815304177 /nfs/dbraw/zinc/30/41/77/815304177.db2.gz TXOUOIVVUPBYPW-DIECFANBSA-N 2 1 277.456 2.218 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CC[N@@H+](C3CCC3)C1)C2 ZINC001172115608 815304184 /nfs/dbraw/zinc/30/41/84/815304184.db2.gz TXOUOIVVUPBYPW-DIECFANBSA-N 2 1 277.456 2.218 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CC[N@H+](C3CCC3)C1)C2 ZINC001172115608 815304189 /nfs/dbraw/zinc/30/41/89/815304189.db2.gz TXOUOIVVUPBYPW-DIECFANBSA-N 2 1 277.456 2.218 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1F ZINC001117953866 809664387 /nfs/dbraw/zinc/66/43/87/809664387.db2.gz SDDZQNNNBIBPGS-ZYHUDNBSSA-N 2 1 252.333 2.064 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCOCC1(C)C)C2 ZINC001172121352 815307974 /nfs/dbraw/zinc/30/79/74/815307974.db2.gz DUPFQZXDMIETCJ-WDNDVIMCSA-N 2 1 252.402 2.113 20 0 CEADMP CC(C)[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172120187 815309637 /nfs/dbraw/zinc/30/96/37/815309637.db2.gz AEQSJHTZHPJIGV-FXUDXRNXSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001172120187 815309644 /nfs/dbraw/zinc/30/96/44/815309644.db2.gz AEQSJHTZHPJIGV-FXUDXRNXSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001172120187 815309651 /nfs/dbraw/zinc/30/96/51/815309651.db2.gz AEQSJHTZHPJIGV-FXUDXRNXSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001036417097 809899847 /nfs/dbraw/zinc/89/98/47/809899847.db2.gz WZROAIQVPOXCAU-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001036556859 809921600 /nfs/dbraw/zinc/92/16/00/809921600.db2.gz SUJQKYOKKSXCQA-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@@H+](CCc1nccs1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000708480971 809928776 /nfs/dbraw/zinc/92/87/76/809928776.db2.gz CYKPXXCAAIELPW-YHWZYXNKSA-N 2 1 265.426 2.148 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cncc3ccccc32)C[C@H]1C[NH3+] ZINC000708840675 809937051 /nfs/dbraw/zinc/93/70/51/809937051.db2.gz ZNXAQKSNMXHNFF-TZMCWYRMSA-N 2 1 255.365 2.261 20 0 CEADMP Cc1cc[nH+]c(C)c1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163325986 810068907 /nfs/dbraw/zinc/06/89/07/810068907.db2.gz DMCPOVCAWAPYPH-UKRRQHHQSA-N 2 1 261.369 2.021 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC[NH2+]CC2 ZINC000923384478 810090724 /nfs/dbraw/zinc/09/07/24/810090724.db2.gz YQJVWZOBNZRKOJ-MGNMYUMUSA-N 3 1 291.483 2.371 20 0 CEADMP C[C@@H]1C[N@H+](Cc2nc(-c3cccs3)no2)CC[C@H]1C[NH3+] ZINC000923503672 810105913 /nfs/dbraw/zinc/10/59/13/810105913.db2.gz KSRJONOHFGNMKH-MNOVXSKESA-N 2 1 292.408 2.215 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc(-c3cccs3)no2)CC[C@H]1C[NH3+] ZINC000923503672 810105916 /nfs/dbraw/zinc/10/59/16/810105916.db2.gz KSRJONOHFGNMKH-MNOVXSKESA-N 2 1 292.408 2.215 20 0 CEADMP [NH3+]CCCCCC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000699187350 810130905 /nfs/dbraw/zinc/13/09/05/810130905.db2.gz JSIVXFAXUTVEOX-LLVKDONJSA-N 2 1 268.323 2.159 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000699187350 810130909 /nfs/dbraw/zinc/13/09/09/810130909.db2.gz JSIVXFAXUTVEOX-LLVKDONJSA-N 2 1 268.323 2.159 20 0 CEADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001015052070 810257107 /nfs/dbraw/zinc/25/71/07/810257107.db2.gz HSTPXJBGWXVFAH-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](F)CC2)CC1 ZINC001172252591 815358325 /nfs/dbraw/zinc/35/83/25/815358325.db2.gz QKYUGHMTVRBITA-AWEZNQCLSA-N 2 1 272.408 2.311 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](F)CC2)CC1 ZINC001172252591 815358331 /nfs/dbraw/zinc/35/83/31/815358331.db2.gz QKYUGHMTVRBITA-AWEZNQCLSA-N 2 1 272.408 2.311 20 0 CEADMP CC1(C)C[C@@H]([NH+]2CCC([NH+]3CCCC3)CC2)CO1 ZINC001172280396 815375355 /nfs/dbraw/zinc/37/53/55/815375355.db2.gz PTLMWLZHSRPFGO-CQSZACIVSA-N 2 1 252.402 2.114 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C(C)C ZINC001085217476 810696928 /nfs/dbraw/zinc/69/69/28/810696928.db2.gz CIQTWLCZRWPHFM-OAGGEKHMSA-N 2 1 295.471 2.286 20 0 CEADMP Cc1cc(N)nc(NC[C@H](c2cccs2)[NH+](C)C)[nH+]1 ZINC000825269829 810713955 /nfs/dbraw/zinc/71/39/55/810713955.db2.gz CVYVHTZOBPWLGV-SNVBAGLBSA-N 2 1 277.397 2.144 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CCCCCC[NH3+])C1 ZINC001122207280 815392530 /nfs/dbraw/zinc/39/25/30/815392530.db2.gz CZQVTFIHHABDSI-HNNXBMFYSA-N 2 1 283.460 2.086 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001085519268 810804097 /nfs/dbraw/zinc/80/40/97/810804097.db2.gz LNJNVVKCVCMBBK-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001085519268 810804104 /nfs/dbraw/zinc/80/41/04/810804104.db2.gz LNJNVVKCVCMBBK-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001085519268 810804109 /nfs/dbraw/zinc/80/41/09/810804109.db2.gz LNJNVVKCVCMBBK-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038520161 810855591 /nfs/dbraw/zinc/85/55/91/810855591.db2.gz NUACTFSLZVFQOA-INIZCTEOSA-N 2 1 298.390 2.105 20 0 CEADMP CC(C)=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038520161 810855599 /nfs/dbraw/zinc/85/55/99/810855599.db2.gz NUACTFSLZVFQOA-INIZCTEOSA-N 2 1 298.390 2.105 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CC[C@@H](C2CC2)O1 ZINC000722322173 810919836 /nfs/dbraw/zinc/91/98/36/810919836.db2.gz PWQLUBYOVKALFV-CVEARBPZSA-N 2 1 264.413 2.160 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCC ZINC001038901878 810941333 /nfs/dbraw/zinc/94/13/33/810941333.db2.gz AQZVUXBQHVLPEQ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC ZINC001038901878 810941338 /nfs/dbraw/zinc/94/13/38/810941338.db2.gz AQZVUXBQHVLPEQ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC ZINC001038901878 810941343 /nfs/dbraw/zinc/94/13/43/810941343.db2.gz AQZVUXBQHVLPEQ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC[N@@H+]1C ZINC000723611903 811025279 /nfs/dbraw/zinc/02/52/79/811025279.db2.gz ZEAWRHDTPRVBTI-OXGONZEZSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC[N@H+]1C ZINC000723611903 811025285 /nfs/dbraw/zinc/02/52/85/811025285.db2.gz ZEAWRHDTPRVBTI-OXGONZEZSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C)[NH+](C)C ZINC001039681895 811058023 /nfs/dbraw/zinc/05/80/23/811058023.db2.gz WGKYYJSWSPYCKP-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP C[NH+](C)CCOc1cccc(C2=CC[N@@H+](C)CC2)c1 ZINC001241330506 811061716 /nfs/dbraw/zinc/06/17/16/811061716.db2.gz UKBJULNQHVJNHR-UHFFFAOYSA-N 2 1 260.381 2.346 20 0 CEADMP CCOCC[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001172434209 815423884 /nfs/dbraw/zinc/42/38/84/815423884.db2.gz VHTBYQATNCIMQT-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP C[N@H+]1CC[C@H](c2ccc(-n3cc4c(n3)CC[C@H]([NH3+])C4)cc2)C1 ZINC001168817485 811245968 /nfs/dbraw/zinc/24/59/68/811245968.db2.gz IHGJGSXISLDRMY-HOCLYGCPSA-N 2 1 296.418 2.107 20 0 CEADMP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001042711283 811323049 /nfs/dbraw/zinc/32/30/49/811323049.db2.gz PYMGWDRUBVMWQR-GDBMZVCRSA-N 2 1 295.471 2.048 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC1(O)CCCCC1)C2 ZINC001169096446 811365533 /nfs/dbraw/zinc/36/55/33/811365533.db2.gz WVBLIHXYDYIJML-QDMKHBRRSA-N 2 1 266.429 2.287 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cnc3ccc(C[NH3+])cc31)C2 ZINC001169099151 811368307 /nfs/dbraw/zinc/36/83/07/811368307.db2.gz OEVNYEHDUKZMGT-BTTYYORXSA-N 2 1 270.380 2.293 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCc1ccccn1)C2 ZINC001169099429 811368779 /nfs/dbraw/zinc/36/87/79/811368779.db2.gz RMJZMVLXQIONRO-MUJYYYPQSA-N 2 1 259.397 2.229 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccccc1O)C2 ZINC001169099687 811373509 /nfs/dbraw/zinc/37/35/09/811373509.db2.gz DUYVEBGUSLPMJQ-QKDCVEJESA-N 2 1 260.381 2.150 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)C2 ZINC001169100975 811373740 /nfs/dbraw/zinc/37/37/40/811373740.db2.gz NHPJAEFKKBMVDB-BTTYYORXSA-N 2 1 282.428 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H](O)C1CCCCC1)C2 ZINC001169100662 811374411 /nfs/dbraw/zinc/37/44/11/811374411.db2.gz KZBBYKUDFUIVSR-JONQDZQNSA-N 2 1 266.429 2.142 20 0 CEADMP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169101282 811374883 /nfs/dbraw/zinc/37/48/83/811374883.db2.gz QLUWFPWOEAVWHR-WFLNUHJHSA-N 2 1 294.439 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)C2 ZINC001169081557 811377477 /nfs/dbraw/zinc/37/74/77/811377477.db2.gz SVHBWVJBYFQODS-YVSFHVDLSA-N 2 1 274.408 2.109 20 0 CEADMP COC(=O)CCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169077898 811378349 /nfs/dbraw/zinc/37/83/49/811378349.db2.gz BGSHARMTZIADOY-QDMKHBRRSA-N 2 1 282.428 2.325 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)n2c1 ZINC001169082219 811381479 /nfs/dbraw/zinc/38/14/79/811381479.db2.gz YHRCOMNKTZWJTP-QDMKHBRRSA-N 2 1 284.407 2.358 20 0 CEADMP Cc1ccc2ncc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)n2c1 ZINC001169082219 811381485 /nfs/dbraw/zinc/38/14/85/811381485.db2.gz YHRCOMNKTZWJTP-QDMKHBRRSA-N 2 1 284.407 2.358 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CCOC(C)C)C[C@@H]2C1 ZINC001172455129 815443576 /nfs/dbraw/zinc/44/35/76/815443576.db2.gz QGDPWPLUPCEVMO-OAGGEKHMSA-N 2 1 268.445 2.464 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CCOC(C)C)C[C@@H]2C1 ZINC001172455129 815443580 /nfs/dbraw/zinc/44/35/80/815443580.db2.gz QGDPWPLUPCEVMO-OAGGEKHMSA-N 2 1 268.445 2.464 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)CCOC(C)C)C[C@@H]2C1 ZINC001172455129 815443582 /nfs/dbraw/zinc/44/35/82/815443582.db2.gz QGDPWPLUPCEVMO-OAGGEKHMSA-N 2 1 268.445 2.464 20 0 CEADMP COC[C@@]12CCC[C@@H]1C[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169134916 811399072 /nfs/dbraw/zinc/39/90/72/811399072.db2.gz XEJDNWZTKTXEHV-NRKLIOEPSA-N 2 1 278.440 2.360 20 0 CEADMP COC[C@@]12CCC[C@@H]1C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169134916 811399079 /nfs/dbraw/zinc/39/90/79/811399079.db2.gz XEJDNWZTKTXEHV-NRKLIOEPSA-N 2 1 278.440 2.360 20 0 CEADMP COC[C@@]12CCC[C@@H]1C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169134916 811399086 /nfs/dbraw/zinc/39/90/86/811399086.db2.gz XEJDNWZTKTXEHV-NRKLIOEPSA-N 2 1 278.440 2.360 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](C(F)(F)F)C1)C2 ZINC001169139403 811401839 /nfs/dbraw/zinc/40/18/39/811401839.db2.gz BUYGZTUVWBTTEC-NNYUYHANSA-N 2 1 262.319 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](C(F)(F)F)C1)C2 ZINC001169139403 811401842 /nfs/dbraw/zinc/40/18/42/811401842.db2.gz BUYGZTUVWBTTEC-NNYUYHANSA-N 2 1 262.319 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](C(F)(F)F)C1)C2 ZINC001169139403 811401846 /nfs/dbraw/zinc/40/18/46/811401846.db2.gz BUYGZTUVWBTTEC-NNYUYHANSA-N 2 1 262.319 2.496 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H](Oc3cccnc3)C1)C2 ZINC001169139697 811401875 /nfs/dbraw/zinc/40/18/75/811401875.db2.gz DPXBUYRATSLNLX-HWMZRRJGSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H](Oc3cccnc3)C1)C2 ZINC001169139697 811401880 /nfs/dbraw/zinc/40/18/80/811401880.db2.gz DPXBUYRATSLNLX-HWMZRRJGSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H](Oc3cccnc3)C1)C2 ZINC001169139697 811401882 /nfs/dbraw/zinc/40/18/82/811401882.db2.gz DPXBUYRATSLNLX-HWMZRRJGSA-N 2 1 287.407 2.160 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)NC(C)(C)C ZINC001169109340 811403818 /nfs/dbraw/zinc/40/38/18/811403818.db2.gz AYLDYABSNXILOM-XQLPTFJDSA-N 2 1 295.471 2.141 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)NC(C)(C)C ZINC001169109340 811403821 /nfs/dbraw/zinc/40/38/21/811403821.db2.gz AYLDYABSNXILOM-XQLPTFJDSA-N 2 1 295.471 2.141 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1cnccn1)C2 ZINC001169141647 811408505 /nfs/dbraw/zinc/40/85/05/811408505.db2.gz RNAPOUSFNSPUGX-NHIYQJMISA-N 2 1 272.396 2.239 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1cnccn1)C2 ZINC001169141647 811408513 /nfs/dbraw/zinc/40/85/13/811408513.db2.gz RNAPOUSFNSPUGX-NHIYQJMISA-N 2 1 272.396 2.239 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1cnccn1)C2 ZINC001169141647 811408519 /nfs/dbraw/zinc/40/85/19/811408519.db2.gz RNAPOUSFNSPUGX-NHIYQJMISA-N 2 1 272.396 2.239 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1cnccn1)C2 ZINC001169141647 811408525 /nfs/dbraw/zinc/40/85/25/811408525.db2.gz RNAPOUSFNSPUGX-NHIYQJMISA-N 2 1 272.396 2.239 20 0 CEADMP CCN(CC[NH+]1CCCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142532 811408854 /nfs/dbraw/zinc/40/88/54/811408854.db2.gz CQSKUMUNUNFRPW-BJWYYQGGSA-N 2 1 279.472 2.419 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C1)CC[NH+](C)CC3)C2 ZINC001169143546 811409511 /nfs/dbraw/zinc/40/95/11/811409511.db2.gz GEDPTDUHPLADRD-MUJYYYPQSA-N 3 1 277.456 2.029 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC3(C1)CC[NH+](C)CC3)C2 ZINC001169143546 811409516 /nfs/dbraw/zinc/40/95/16/811409516.db2.gz GEDPTDUHPLADRD-MUJYYYPQSA-N 3 1 277.456 2.029 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC3(C1)CC[NH+](C)CC3)C2 ZINC001169143546 811409522 /nfs/dbraw/zinc/40/95/22/811409522.db2.gz GEDPTDUHPLADRD-MUJYYYPQSA-N 3 1 277.456 2.029 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC3(C1)CC[NH+](C)CC3)C2 ZINC001169143546 811409528 /nfs/dbraw/zinc/40/95/28/811409528.db2.gz GEDPTDUHPLADRD-MUJYYYPQSA-N 2 1 277.456 2.029 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC3(C1)CC[NH+](C)CC3)C2 ZINC001169143546 811409536 /nfs/dbraw/zinc/40/95/36/811409536.db2.gz GEDPTDUHPLADRD-MUJYYYPQSA-N 2 1 277.456 2.029 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1N ZINC001206003729 811411340 /nfs/dbraw/zinc/41/13/40/811411340.db2.gz LUUGYHOQSVLOGP-TZMCWYRMSA-N 2 1 277.412 2.084 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C1)CC[NH+](C)CC3)C2 ZINC001169143551 811411532 /nfs/dbraw/zinc/41/15/32/811411532.db2.gz GEDPTDUHPLADRD-ZSHCYNCHSA-N 3 1 277.456 2.029 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC3(C1)CC[NH+](C)CC3)C2 ZINC001169143551 811411535 /nfs/dbraw/zinc/41/15/35/811411535.db2.gz GEDPTDUHPLADRD-ZSHCYNCHSA-N 3 1 277.456 2.029 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC3(C1)CC[NH+](C)CC3)C2 ZINC001169143551 811411538 /nfs/dbraw/zinc/41/15/38/811411538.db2.gz GEDPTDUHPLADRD-ZSHCYNCHSA-N 3 1 277.456 2.029 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC3(C1)CC[NH+](C)CC3)C2 ZINC001169143551 811411541 /nfs/dbraw/zinc/41/15/41/811411541.db2.gz GEDPTDUHPLADRD-ZSHCYNCHSA-N 2 1 277.456 2.029 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC3(C1)CC[NH+](C)CC3)C2 ZINC001169143551 811411549 /nfs/dbraw/zinc/41/15/49/811411549.db2.gz GEDPTDUHPLADRD-ZSHCYNCHSA-N 2 1 277.456 2.029 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc([O-])c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206004093 811423235 /nfs/dbraw/zinc/42/32/35/811423235.db2.gz QAMPTPZMXMGZKI-WDEREUQCSA-N 2 1 284.350 2.477 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccc(O)c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206004093 811423241 /nfs/dbraw/zinc/42/32/41/811423241.db2.gz QAMPTPZMXMGZKI-WDEREUQCSA-N 2 1 284.350 2.477 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(O)c(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206004093 811423245 /nfs/dbraw/zinc/42/32/45/811423245.db2.gz QAMPTPZMXMGZKI-WDEREUQCSA-N 2 1 284.350 2.477 20 0 CEADMP CCC[N@H+](CCC[NH+](C)C)C1CCN(CC)CC1 ZINC001169264663 811453279 /nfs/dbraw/zinc/45/32/79/811453279.db2.gz PPBNRMGIDVXYKW-UHFFFAOYSA-N 2 1 255.450 2.134 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)C1CCN(CC)CC1 ZINC001169264663 811453282 /nfs/dbraw/zinc/45/32/82/811453282.db2.gz PPBNRMGIDVXYKW-UHFFFAOYSA-N 2 1 255.450 2.134 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CCC(C[NH+](C)C)CC2)CC1 ZINC001169244487 811460100 /nfs/dbraw/zinc/46/01/00/811460100.db2.gz RDMMCGSJCXHJOH-UHFFFAOYSA-N 3 1 267.461 2.181 20 0 CEADMP CCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001044742846 811530918 /nfs/dbraw/zinc/53/09/18/811530918.db2.gz IYYZJTQTZTZGDC-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH2+]C(C)C)C1 ZINC001045164086 811579421 /nfs/dbraw/zinc/57/94/21/811579421.db2.gz FOTWIOCOOQNHCN-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1F ZINC001206024397 811701111 /nfs/dbraw/zinc/70/11/11/811701111.db2.gz JJUBEEBSTGYPEV-AAEUAGOBSA-N 2 1 265.376 2.336 20 0 CEADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169909744 811710366 /nfs/dbraw/zinc/71/03/66/811710366.db2.gz MJIYQYBTYZEZAA-KKUMJFAQSA-N 2 1 282.428 2.135 20 0 CEADMP COC(=O)[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172600861 815469891 /nfs/dbraw/zinc/46/98/91/815469891.db2.gz ZOANUUYWGXIFET-GVRJEKJASA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172600861 815469895 /nfs/dbraw/zinc/46/98/95/815469895.db2.gz ZOANUUYWGXIFET-GVRJEKJASA-N 2 1 294.439 2.323 20 0 CEADMP COc1ccoc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206028736 811899079 /nfs/dbraw/zinc/89/90/79/811899079.db2.gz YXTFFWNTOURFOF-RYUDHWBXSA-N 2 1 252.358 2.095 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2cncc3ccccc32)CC[C@H]1F ZINC001206174647 815491121 /nfs/dbraw/zinc/49/11/21/815491121.db2.gz OOSXIKZJHCVKHM-HZPDHXFCSA-N 2 1 273.355 2.496 20 0 CEADMP Cc1cnsc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206564474 811988831 /nfs/dbraw/zinc/98/88/31/811988831.db2.gz ONKZYOBRVBNLMH-CYBMUJFWSA-N 2 1 253.415 2.402 20 0 CEADMP COC(=O)N1CCC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001172736810 815497840 /nfs/dbraw/zinc/49/78/40/815497840.db2.gz ROQQWUFGEQGMTM-AWEZNQCLSA-N 2 1 297.443 2.058 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C1 ZINC001170118992 812166247 /nfs/dbraw/zinc/16/62/47/812166247.db2.gz VTBYMKMRBBBKDL-VNQPRFMTSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C1 ZINC001170118992 812166248 /nfs/dbraw/zinc/16/62/48/812166248.db2.gz VTBYMKMRBBBKDL-VNQPRFMTSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571943 812169854 /nfs/dbraw/zinc/16/98/54/812169854.db2.gz IHANVLHMPHSJOV-JKSUJKDBSA-N 2 1 298.390 2.033 20 0 CEADMP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049726090 812200157 /nfs/dbraw/zinc/20/01/57/812200157.db2.gz BSFAUSAAJMZFLY-HRCADAONSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1C[C@@H]2CN(c3ccc4c([nH+]3)CCC4)C[C@H]2C1 ZINC001157690987 812318464 /nfs/dbraw/zinc/31/84/64/812318464.db2.gz NJMHFOIUZCTAAZ-HUUCEWRRSA-N 2 1 271.408 2.348 20 0 CEADMP CC[C@H]1C[C@H]([N@@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC001170220691 812342123 /nfs/dbraw/zinc/34/21/23/812342123.db2.gz IUQWXESIMYJRNW-CABCVRRESA-N 2 1 254.418 2.362 20 0 CEADMP C[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccc(F)cn1 ZINC001254501592 812416550 /nfs/dbraw/zinc/41/65/50/812416550.db2.gz VWULRJQKRXPYMU-AAEUAGOBSA-N 2 1 251.349 2.356 20 0 CEADMP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(F)cn1 ZINC001254501592 812416555 /nfs/dbraw/zinc/41/65/55/812416555.db2.gz VWULRJQKRXPYMU-AAEUAGOBSA-N 2 1 251.349 2.356 20 0 CEADMP Cc1nc([C@@H]2CCCN([C@H]3CCC[N@H+](C)CC3)C2)no1 ZINC001254515899 812436767 /nfs/dbraw/zinc/43/67/67/812436767.db2.gz GFZQPFMAHWZRQX-KGLIPLIRSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc([C@@H]2CCC[NH+]([C@H]3CCC[N@@H+](C)CC3)C2)no1 ZINC001254515899 812436770 /nfs/dbraw/zinc/43/67/70/812436770.db2.gz GFZQPFMAHWZRQX-KGLIPLIRSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc([C@@H]2CCC[NH+]([C@H]3CCC[N@H+](C)CC3)C2)no1 ZINC001254515899 812436776 /nfs/dbraw/zinc/43/67/76/812436776.db2.gz GFZQPFMAHWZRQX-KGLIPLIRSA-N 2 1 278.400 2.042 20 0 CEADMP C[N@@H+]1CCC[C@H]([NH+]2CCOc3ccccc3C2)CC1 ZINC001254524604 812439632 /nfs/dbraw/zinc/43/96/32/812439632.db2.gz XQFRUDORXOZRHP-HNNXBMFYSA-N 2 1 260.381 2.365 20 0 CEADMP C[N@H+]1CCC[C@H]([NH+]2CCOc3ccccc3C2)CC1 ZINC001254524604 812439636 /nfs/dbraw/zinc/43/96/36/812439636.db2.gz XQFRUDORXOZRHP-HNNXBMFYSA-N 2 1 260.381 2.365 20 0 CEADMP C[NH+]1CCC[C@H]([N@@H+]2CCOc3ccccc3C2)CC1 ZINC001254524604 812439640 /nfs/dbraw/zinc/43/96/40/812439640.db2.gz XQFRUDORXOZRHP-HNNXBMFYSA-N 2 1 260.381 2.365 20 0 CEADMP C[NH+]1CCC[C@H]([N@H+]2CCOc3ccccc3C2)CC1 ZINC001254524604 812439642 /nfs/dbraw/zinc/43/96/42/812439642.db2.gz XQFRUDORXOZRHP-HNNXBMFYSA-N 2 1 260.381 2.365 20 0 CEADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762687 812457529 /nfs/dbraw/zinc/45/75/29/812457529.db2.gz AOHYTUXKUCYDKA-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052762687 812457530 /nfs/dbraw/zinc/45/75/30/812457530.db2.gz AOHYTUXKUCYDKA-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052762687 812457531 /nfs/dbraw/zinc/45/75/31/812457531.db2.gz AOHYTUXKUCYDKA-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CCC1CCCCC1 ZINC001130425347 812567085 /nfs/dbraw/zinc/56/70/85/812567085.db2.gz UVWUILHRDVGIFM-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP CCCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170503974 812584904 /nfs/dbraw/zinc/58/49/04/812584904.db2.gz YTUHYQVRRPVTHU-KGLIPLIRSA-N 2 1 270.417 2.040 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130708952 812599247 /nfs/dbraw/zinc/59/92/47/812599247.db2.gz NHRSRCPROSARMF-INIZCTEOSA-N 2 1 297.487 2.393 20 0 CEADMP Cc1c[nH+]c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c2ccccc12 ZINC001170565593 812683135 /nfs/dbraw/zinc/68/31/35/812683135.db2.gz VUOGUCQLMNTXGD-WFASDCNBSA-N 2 1 271.364 2.332 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132152897 812792197 /nfs/dbraw/zinc/79/21/97/812792197.db2.gz KNFKZFVORWBOCP-KGLIPLIRSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132152897 812792201 /nfs/dbraw/zinc/79/22/01/812792201.db2.gz KNFKZFVORWBOCP-KGLIPLIRSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132152897 812792205 /nfs/dbraw/zinc/79/22/05/812792205.db2.gz KNFKZFVORWBOCP-KGLIPLIRSA-N 2 1 283.460 2.096 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC)C1 ZINC001132364204 812834915 /nfs/dbraw/zinc/83/49/15/812834915.db2.gz ASJKEXBUUVSMFN-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC)C1 ZINC001132364204 812834923 /nfs/dbraw/zinc/83/49/23/812834923.db2.gz ASJKEXBUUVSMFN-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132377559 812836804 /nfs/dbraw/zinc/83/68/04/812836804.db2.gz YIWYGJVRVAYDGP-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132795818 812947824 /nfs/dbraw/zinc/94/78/24/812947824.db2.gz ZOIVQTLFHBOBEP-INIZCTEOSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170660243 812999528 /nfs/dbraw/zinc/99/95/28/812999528.db2.gz VNESMKJFUZPWPX-RISCZKNCSA-N 2 1 280.362 2.363 20 0 CEADMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515815 813000885 /nfs/dbraw/zinc/00/08/85/813000885.db2.gz JVCURPOFIPQYIG-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515815 813000891 /nfs/dbraw/zinc/00/08/91/813000891.db2.gz JVCURPOFIPQYIG-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515815 813000900 /nfs/dbraw/zinc/00/09/00/813000900.db2.gz JVCURPOFIPQYIG-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133345319 813034495 /nfs/dbraw/zinc/03/44/95/813034495.db2.gz AAHLYVYXNIXSIY-HOTGVXAUSA-N 2 1 297.487 2.201 20 0 CEADMP Cc1cc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)ccn1 ZINC001137417947 813040507 /nfs/dbraw/zinc/04/05/07/813040507.db2.gz DLITUCYUZJYQCY-UHFFFAOYSA-N 2 1 282.391 2.416 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173054353 815571984 /nfs/dbraw/zinc/57/19/84/815571984.db2.gz YDJOGEHHXBJXRV-HZSPNIEDSA-N 2 1 299.459 2.301 20 0 CEADMP CCOC(=O)[C@H](C)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173102543 815580682 /nfs/dbraw/zinc/58/06/82/815580682.db2.gz ZZZRIQSMNJEYNA-HSBZDZAISA-N 2 1 270.417 2.181 20 0 CEADMP C[C@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255381011 813084892 /nfs/dbraw/zinc/08/48/92/813084892.db2.gz NYPHDTKEGGFCIR-ZBFHGGJFSA-N 2 1 262.397 2.012 20 0 CEADMP COCc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206188781 815578646 /nfs/dbraw/zinc/57/86/46/815578646.db2.gz VWYXVHGOKWZZGC-CABCVRRESA-N 2 1 266.360 2.094 20 0 CEADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCc3ncsc3C2)CC1 ZINC001173138893 815599415 /nfs/dbraw/zinc/59/94/15/815599415.db2.gz TZFOCHVRMQVBNC-CYBMUJFWSA-N 2 1 279.453 2.417 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCc3ncsc3C2)CC1 ZINC001173138893 815599418 /nfs/dbraw/zinc/59/94/18/815599418.db2.gz TZFOCHVRMQVBNC-CYBMUJFWSA-N 2 1 279.453 2.417 20 0 CEADMP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608417 813298869 /nfs/dbraw/zinc/29/88/69/813298869.db2.gz VNWICJFDGCZJCT-HUUCEWRRSA-N 2 1 295.471 2.310 20 0 CEADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC001170796610 813374118 /nfs/dbraw/zinc/37/41/18/813374118.db2.gz OYNHWSGDADVVQM-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC001170796610 813374125 /nfs/dbraw/zinc/37/41/25/813374125.db2.gz OYNHWSGDADVVQM-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000395014920 813473149 /nfs/dbraw/zinc/47/31/49/813473149.db2.gz KTCXWGYDYIWYGS-MCIONIFRSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000395014920 813473162 /nfs/dbraw/zinc/47/31/62/813473162.db2.gz KTCXWGYDYIWYGS-MCIONIFRSA-N 2 1 254.418 2.264 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820992 813490782 /nfs/dbraw/zinc/49/07/82/813490782.db2.gz HTHMJEJXTIDOKW-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820992 813490787 /nfs/dbraw/zinc/49/07/87/813490787.db2.gz HTHMJEJXTIDOKW-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820992 813490792 /nfs/dbraw/zinc/49/07/92/813490792.db2.gz HTHMJEJXTIDOKW-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CN(c2cc[nH+]c(CO)c2)CC[N@H+]1Cc1ccccc1 ZINC000396368416 813565914 /nfs/dbraw/zinc/56/59/14/813565914.db2.gz PXGUUROYFCLAMJ-HNNXBMFYSA-N 2 1 297.402 2.285 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001135980987 813577982 /nfs/dbraw/zinc/57/79/82/813577982.db2.gz VSPPETBROZRRED-GJZGRUSLSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)CC2CCCC2)C[C@@H]1C[NH3+] ZINC000397392964 813616571 /nfs/dbraw/zinc/61/65/71/813616571.db2.gz YYTDQQCEYIRABI-VRKREXBASA-N 2 1 268.445 2.233 20 0 CEADMP [NH3+]CCC[C@@H]([NH3+])Nc1ccnc2ccc(C(F)(F)F)cc21 ZINC001170899743 813626319 /nfs/dbraw/zinc/62/63/19/813626319.db2.gz DWUVRYIBCJIDSK-ZDUSSCGKSA-N 2 1 298.312 2.111 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCNCC2)CC(C)(C)C1 ZINC001246090718 813679160 /nfs/dbraw/zinc/67/91/60/813679160.db2.gz YMWMAVOLCBLLKP-CVEARBPZSA-N 2 1 281.488 2.476 20 0 CEADMP CC(=O)Oc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC001138045483 813686833 /nfs/dbraw/zinc/68/68/33/813686833.db2.gz PPKRFPJMEGIBHI-QGZVFWFLSA-N 2 1 288.391 2.140 20 0 CEADMP CC(=O)Oc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001138045483 813686839 /nfs/dbraw/zinc/68/68/39/813686839.db2.gz PPKRFPJMEGIBHI-QGZVFWFLSA-N 2 1 288.391 2.140 20 0 CEADMP CC(=O)Oc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001138045483 813686844 /nfs/dbraw/zinc/68/68/44/813686844.db2.gz PPKRFPJMEGIBHI-QGZVFWFLSA-N 2 1 288.391 2.140 20 0 CEADMP CC(=O)Oc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001138045483 813686848 /nfs/dbraw/zinc/68/68/48/813686848.db2.gz PPKRFPJMEGIBHI-QGZVFWFLSA-N 2 1 288.391 2.140 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2cccc(F)c2C1 ZINC001170970136 813709237 /nfs/dbraw/zinc/70/92/37/813709237.db2.gz KPIBTXUBDGUHHE-AAEUAGOBSA-N 2 1 250.361 2.210 20 0 CEADMP COc1ccnc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001276389678 813841963 /nfs/dbraw/zinc/84/19/63/813841963.db2.gz APZUIYOVNYANMA-UHFFFAOYSA-N 2 1 289.423 2.398 20 0 CEADMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001246550752 814005169 /nfs/dbraw/zinc/00/51/69/814005169.db2.gz YPJUWAVATLJIJX-YUTCNCBUSA-N 2 1 262.372 2.495 20 0 CEADMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001246550752 814005177 /nfs/dbraw/zinc/00/51/77/814005177.db2.gz YPJUWAVATLJIJX-YUTCNCBUSA-N 2 1 262.372 2.495 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001255964353 814062907 /nfs/dbraw/zinc/06/29/07/814062907.db2.gz RDZORTKYDKWHKJ-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@]2(CCO2)C1 ZINC001255964353 814062909 /nfs/dbraw/zinc/06/29/09/814062909.db2.gz RDZORTKYDKWHKJ-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CCOC(=O)NC1CC[NH+]([C@@H](C)CC[NH+](CC)CC)CC1 ZINC001255972115 814065025 /nfs/dbraw/zinc/06/50/25/814065025.db2.gz NNZYQXXFOIWUND-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP CCOC(=O)N1CC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001256014136 814068830 /nfs/dbraw/zinc/06/88/30/814068830.db2.gz LIOBLCBYNGJEMV-HUUCEWRRSA-N 2 1 297.443 2.071 20 0 CEADMP CCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001100446221 814127540 /nfs/dbraw/zinc/12/75/40/814127540.db2.gz VCWPPFYBVHQZTD-GPANFISMSA-N 2 1 295.471 2.145 20 0 CEADMP CCCCCC[C@H](CCC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578310 814136487 /nfs/dbraw/zinc/13/64/87/814136487.db2.gz ARXJBGIAJOJXQW-KKUMJFAQSA-N 2 1 256.434 2.377 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCN[C@H](C(F)(F)F)C2)C1 ZINC001246583854 814166457 /nfs/dbraw/zinc/16/64/57/814166457.db2.gz LCJOCTWFYWPMKN-FRRDWIJNSA-N 2 1 293.377 2.120 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171227308 814193319 /nfs/dbraw/zinc/19/33/19/814193319.db2.gz NNVPLDLPXUESNO-HOTGVXAUSA-N 2 1 297.487 2.106 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100901820 814201781 /nfs/dbraw/zinc/20/17/81/814201781.db2.gz PVTAKVHGVXGDNL-UHFFFAOYSA-N 2 1 297.487 2.249 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001171236064 814206432 /nfs/dbraw/zinc/20/64/32/814206432.db2.gz KTISGKQBHSAXIS-HZPDHXFCSA-N 2 1 297.487 2.249 20 0 CEADMP C1C[NH2+]C2(C1)CC[NH+]([C@@H]1CCC3(C1)CC[NH2+]CC3)CC2 ZINC001246627055 814225435 /nfs/dbraw/zinc/22/54/35/814225435.db2.gz WXCLYRLNQFRYTG-OAHLLOKOSA-N 3 1 277.456 2.127 20 0 CEADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171260914 814242266 /nfs/dbraw/zinc/24/22/66/814242266.db2.gz OJQRHXUWMFGDJM-AWEZNQCLSA-N 2 1 283.460 2.144 20 0 CEADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171261355 814244308 /nfs/dbraw/zinc/24/43/08/814244308.db2.gz UEBNNPZXKARVQG-CQSZACIVSA-N 2 1 295.471 2.145 20 0 CEADMP FC1(F)CC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC001246653934 814248182 /nfs/dbraw/zinc/24/81/82/814248182.db2.gz FVXAGVFQQKHCPC-VKYHIEHISA-N 2 1 256.340 2.247 20 0 CEADMP CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706485 814310491 /nfs/dbraw/zinc/31/04/91/814310491.db2.gz FQIWBYGISVPCHT-CABCVRRESA-N 2 1 291.439 2.011 20 0 CEADMP CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706485 814310499 /nfs/dbraw/zinc/31/04/99/814310499.db2.gz FQIWBYGISVPCHT-CABCVRRESA-N 2 1 291.439 2.011 20 0 CEADMP CC[C@H](C)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102475340 814388660 /nfs/dbraw/zinc/38/86/60/814388660.db2.gz JMIAROIZKOPKCB-ARFHVFGLSA-N 2 1 297.487 2.058 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247008496 814519621 /nfs/dbraw/zinc/51/96/21/814519621.db2.gz NDWCJNRYQWESQX-ZNMIVQPWSA-N 2 1 282.428 2.182 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247008496 814519623 /nfs/dbraw/zinc/51/96/23/814519623.db2.gz NDWCJNRYQWESQX-ZNMIVQPWSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@](C)(C(F)F)O1 ZINC000698781693 814660707 /nfs/dbraw/zinc/66/07/07/814660707.db2.gz OWEGAISLNAZIJQ-DGCLKSJQSA-N 2 1 264.360 2.250 20 0 CEADMP C[C@H]1CCSCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699226057 814663591 /nfs/dbraw/zinc/66/35/91/814663591.db2.gz JVOFCMXXZXYJEZ-FUDCBSFHSA-N 2 1 254.443 2.344 20 0 CEADMP Cc1cc(C)cc(-c2noc([C@H]([NH3+])CCC[NH3+])n2)c1 ZINC001247506569 814686170 /nfs/dbraw/zinc/68/61/70/814686170.db2.gz CYBINIGLNGGSKH-GFCCVEGCSA-N 2 1 260.341 2.092 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCCOCC2)CC1 ZINC001173108042 815582563 /nfs/dbraw/zinc/58/25/63/815582563.db2.gz CCEZKCRERSVSDQ-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC001173108392 815582853 /nfs/dbraw/zinc/58/28/53/815582853.db2.gz JCPHUSAFOJKEKY-NRXISQOPSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000712414161 814743620 /nfs/dbraw/zinc/74/36/20/814743620.db2.gz HTBZPSHTZJMTQG-IHRRRGAJSA-N 2 1 252.402 2.290 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000712414161 814743623 /nfs/dbraw/zinc/74/36/23/814743623.db2.gz HTBZPSHTZJMTQG-IHRRRGAJSA-N 2 1 252.402 2.290 20 0 CEADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2ncsc2C1 ZINC001173124520 815588496 /nfs/dbraw/zinc/58/84/96/815588496.db2.gz QDOPVFJNKREXML-OBJOEFQTSA-N 2 1 279.453 2.463 20 0 CEADMP C[N@H+](C[C@@H](O)c1ccccc1)C1(C[NH3+])CCCCC1 ZINC000713295721 814849894 /nfs/dbraw/zinc/84/98/94/814849894.db2.gz NLGFCFVXVSAYTL-OAHLLOKOSA-N 2 1 262.397 2.313 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccccc1)C1(C[NH3+])CCCCC1 ZINC000713295721 814849897 /nfs/dbraw/zinc/84/98/97/814849897.db2.gz NLGFCFVXVSAYTL-OAHLLOKOSA-N 2 1 262.397 2.313 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713597070 814867528 /nfs/dbraw/zinc/86/75/28/814867528.db2.gz QEYXWFGWMPWZAL-MJBXVCDLSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C[C@@H]1C[NH3+] ZINC000714379455 814889545 /nfs/dbraw/zinc/88/95/45/814889545.db2.gz IUZMZBDHHIUDNK-RDBSUJKOSA-N 2 1 254.418 2.251 20 0 CEADMP CCc1cnc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)o1 ZINC000714409995 814901183 /nfs/dbraw/zinc/90/11/83/814901183.db2.gz IQVIOBWWCHWYSK-UHFFFAOYSA-N 2 1 265.401 2.434 20 0 CEADMP CCN1CC[C@@H]([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173354556 815696025 /nfs/dbraw/zinc/69/60/25/815696025.db2.gz PUNOULLYUGDZCV-BZUAXINKSA-N 2 1 265.445 2.063 20 0 CEADMP CC[N@H+]1CC[C@@H](N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC001173358287 815699761 /nfs/dbraw/zinc/69/97/61/815699761.db2.gz ZGHMDOLRHQWJAJ-QGZVFWFLSA-N 2 1 275.440 2.144 20 0 CEADMP COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001173437868 815715607 /nfs/dbraw/zinc/71/56/07/815715607.db2.gz SIHLIXQIYSXKLK-UONOGXRCSA-N 2 1 270.417 2.182 20 0 CEADMP COC(=O)CCCC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001173453777 815735828 /nfs/dbraw/zinc/73/58/28/815735828.db2.gz NIFFGCBRSCEYBH-CYBMUJFWSA-N 2 1 282.428 2.325 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2cncc(C3CC3)c2)CC[C@H]1F ZINC001206210543 815780291 /nfs/dbraw/zinc/78/02/91/815780291.db2.gz KRBFBIZTFMLPCO-HUUCEWRRSA-N 2 1 263.360 2.220 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2cncc(C3CC3)c2)CC[C@H]1F ZINC001206210543 815780296 /nfs/dbraw/zinc/78/02/96/815780296.db2.gz KRBFBIZTFMLPCO-HUUCEWRRSA-N 2 1 263.360 2.220 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC001173646500 815790122 /nfs/dbraw/zinc/79/01/22/815790122.db2.gz DLXRJFDVXWVJKX-HOTGVXAUSA-N 2 1 296.455 2.382 20 0 CEADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3OC)C[C@@H]2C1 ZINC001138488732 815809657 /nfs/dbraw/zinc/80/96/57/815809657.db2.gz ILGSPBJNKODCQP-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)ccc3OC)C[C@@H]2C1 ZINC001138488732 815809663 /nfs/dbraw/zinc/80/96/63/815809663.db2.gz ILGSPBJNKODCQP-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)ccc3OC)C[C@@H]2C1 ZINC001138488732 815809670 /nfs/dbraw/zinc/80/96/70/815809670.db2.gz ILGSPBJNKODCQP-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)ccc3OC)C[C@@H]2C1 ZINC001138488732 815809677 /nfs/dbraw/zinc/80/96/77/815809677.db2.gz ILGSPBJNKODCQP-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP Cc1nccn1-c1ccc(CN2CCC3(C2)OCCO3)cc1 ZINC001138547496 815824977 /nfs/dbraw/zinc/82/49/77/815824977.db2.gz NBCHHCKGWBQLCW-UHFFFAOYSA-N 2 1 299.374 2.130 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(CN2CC(C)([NH+](C)C)C2)cc1 ZINC001138548517 815825436 /nfs/dbraw/zinc/82/54/36/815825436.db2.gz GIZSSIRZSXAHNW-UHFFFAOYSA-N 2 1 284.407 2.317 20 0 CEADMP C[C@@H]1CC[N@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC001139054695 815950934 /nfs/dbraw/zinc/95/09/34/815950934.db2.gz FLAJHYYDKYPQKM-CQSZACIVSA-N 2 1 260.381 2.113 20 0 CEADMP Cc1n[nH]c(C)c1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001139103123 815959976 /nfs/dbraw/zinc/95/99/76/815959976.db2.gz WXDXLVGRWIEVEG-UHFFFAOYSA-N 2 1 285.395 2.052 20 0 CEADMP C[N@H+](Cc1ccc2nsnc2c1)CC1CC[NH+](C)CC1 ZINC001139213487 815988538 /nfs/dbraw/zinc/98/85/38/815988538.db2.gz ZVNQWYYQONRSFU-UHFFFAOYSA-N 2 1 290.436 2.465 20 0 CEADMP C[C@H]1CCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139320461 816003989 /nfs/dbraw/zinc/00/39/89/816003989.db2.gz XTJQBROBXUOBNS-ZDUSSCGKSA-N 2 1 294.468 2.269 20 0 CEADMP C[C@H]1CCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139320461 816003998 /nfs/dbraw/zinc/00/39/98/816003998.db2.gz XTJQBROBXUOBNS-ZDUSSCGKSA-N 2 1 294.468 2.269 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cnc4cccnc4c3)C[C@@H]2C1 ZINC001139738924 816100534 /nfs/dbraw/zinc/10/05/34/816100534.db2.gz MFLVVPPSRFWQKX-CABCVRRESA-N 2 1 282.391 2.013 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cnc4cccnc4c3)C[C@@H]2C1 ZINC001139738924 816100536 /nfs/dbraw/zinc/10/05/36/816100536.db2.gz MFLVVPPSRFWQKX-CABCVRRESA-N 2 1 282.391 2.013 20 0 CEADMP CCN(CCC[NH+](C)C)Cc1[nH]nc2ccc(OC)cc21 ZINC001140070561 816186137 /nfs/dbraw/zinc/18/61/37/816186137.db2.gz JAPOUFWTYLFFAO-UHFFFAOYSA-N 2 1 290.411 2.345 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1-c1cnc(N)nc1 ZINC001140319351 816226967 /nfs/dbraw/zinc/22/69/67/816226967.db2.gz FTRFYQITALHQQD-UHFFFAOYSA-N 2 1 299.422 2.109 20 0 CEADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(O)c(C)c3)C[C@@H]2C1 ZINC001140579674 816289219 /nfs/dbraw/zinc/28/92/19/816289219.db2.gz CNGYQUZYHJVXJY-GJZGRUSLSA-N 2 1 260.381 2.084 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC1CC1 ZINC001176022557 816327410 /nfs/dbraw/zinc/32/74/10/816327410.db2.gz BQMGDYUCPYYETQ-AWEZNQCLSA-N 2 1 283.460 2.003 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]C(C)C ZINC001176292611 816380628 /nfs/dbraw/zinc/38/06/28/816380628.db2.gz LOQIFXBJMDXMIH-AWEZNQCLSA-N 2 1 271.449 2.001 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(Cc3cc(O)cc(Cl)c3)C[C@@H]2C1 ZINC001140788545 816357251 /nfs/dbraw/zinc/35/72/51/816357251.db2.gz MFENFNMHVYVMHR-OLZOCXBDSA-N 2 1 280.799 2.429 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(O)cc(Cl)c3)C[C@@H]2C1 ZINC001140788545 816357256 /nfs/dbraw/zinc/35/72/56/816357256.db2.gz MFENFNMHVYVMHR-OLZOCXBDSA-N 2 1 280.799 2.429 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(O)cc(Cl)c3)C[C@@H]2C1 ZINC001140788545 816357263 /nfs/dbraw/zinc/35/72/63/816357263.db2.gz MFENFNMHVYVMHR-OLZOCXBDSA-N 2 1 280.799 2.429 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(O)cc(Cl)c3)C[C@@H]2C1 ZINC001140788545 816357272 /nfs/dbraw/zinc/35/72/72/816357272.db2.gz MFENFNMHVYVMHR-OLZOCXBDSA-N 2 1 280.799 2.429 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(O)cc(Cl)c3)C[C@@H]2C1 ZINC001140788545 816357279 /nfs/dbraw/zinc/35/72/79/816357279.db2.gz MFENFNMHVYVMHR-OLZOCXBDSA-N 2 1 280.799 2.429 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001140803583 816362754 /nfs/dbraw/zinc/36/27/54/816362754.db2.gz RZZGTWHGNQTNSE-CQSZACIVSA-N 2 1 270.380 2.233 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001140803583 816362761 /nfs/dbraw/zinc/36/27/61/816362761.db2.gz RZZGTWHGNQTNSE-CQSZACIVSA-N 2 1 270.380 2.233 20 0 CEADMP Cn1c[nH+]c2cccc(Nc3cnn(CC[NH+](C)C)c3)c21 ZINC001176450670 816418325 /nfs/dbraw/zinc/41/83/25/816418325.db2.gz NTKPSVXPTYSFMV-UHFFFAOYSA-N 2 1 284.367 2.075 20 0 CEADMP C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140970000 816428841 /nfs/dbraw/zinc/42/88/41/816428841.db2.gz BUAHGDMVJMYLCM-ZBFHGGJFSA-N 2 1 291.414 2.371 20 0 CEADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC1 ZINC001176753808 816472971 /nfs/dbraw/zinc/47/29/71/816472971.db2.gz NLZFCBYFEHVYCD-CQSZACIVSA-N 2 1 283.460 2.001 20 0 CEADMP C[NH+](C)CCO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001206288133 816497661 /nfs/dbraw/zinc/49/76/61/816497661.db2.gz WACLHFGETRDIPX-OKZBNKHCSA-N 2 1 288.435 2.475 20 0 CEADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnc(C)nc2)CC1 ZINC001203109838 816530196 /nfs/dbraw/zinc/53/01/96/816530196.db2.gz WHLABBSXKNHIEV-UHFFFAOYSA-N 2 1 297.406 2.227 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ncc3ccccn32)CC1 ZINC001206304691 816568639 /nfs/dbraw/zinc/56/86/39/816568639.db2.gz OBNTUAOAXKTBTH-INIZCTEOSA-N 2 1 272.396 2.285 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccn4ccnc34)C[C@@H]2C1 ZINC001142960259 816762909 /nfs/dbraw/zinc/76/29/09/816762909.db2.gz MEJINUMHZPDGCR-IYBDPMFKSA-N 2 1 284.407 2.108 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccn4ccnc34)C[C@@H]2C1 ZINC001142960259 816762915 /nfs/dbraw/zinc/76/29/15/816762915.db2.gz MEJINUMHZPDGCR-IYBDPMFKSA-N 2 1 284.407 2.108 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccn4ccnc34)C[C@@H]2C1 ZINC001142960259 816762920 /nfs/dbraw/zinc/76/29/20/816762920.db2.gz MEJINUMHZPDGCR-IYBDPMFKSA-N 2 1 284.407 2.108 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccn4ccnc34)C[C@@H]2C1 ZINC001142960259 816762926 /nfs/dbraw/zinc/76/29/26/816762926.db2.gz MEJINUMHZPDGCR-IYBDPMFKSA-N 2 1 284.407 2.108 20 0 CEADMP Cc1cc(C)nc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001206335249 816768805 /nfs/dbraw/zinc/76/88/05/816768805.db2.gz DDMUINXLISWPDZ-OAHLLOKOSA-N 2 1 262.401 2.044 20 0 CEADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3nonc32)CC1 ZINC001203136843 816824674 /nfs/dbraw/zinc/82/46/74/816824674.db2.gz XGDJONBPDZMBPW-UHFFFAOYSA-N 2 1 274.368 2.139 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3nonc32)CC1 ZINC001203136843 816824681 /nfs/dbraw/zinc/82/46/81/816824681.db2.gz XGDJONBPDZMBPW-UHFFFAOYSA-N 2 1 274.368 2.139 20 0 CEADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cncs1 ZINC000124391165 187135265 /nfs/dbraw/zinc/13/52/65/187135265.db2.gz BROYIMFAWPCVBE-CYBMUJFWSA-N 2 1 296.484 2.067 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)C1CC1 ZINC000449087318 282094772 /nfs/dbraw/zinc/09/47/72/282094772.db2.gz FVYFCWPTBBQXQC-ZIAGYGMSSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000337379051 282098214 /nfs/dbraw/zinc/09/82/14/282098214.db2.gz IGICQEVYIZQJRP-KURKYZTESA-N 2 1 293.499 2.428 20 0 CEADMP OC1CC[NH+](CCC[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000305106811 201704037 /nfs/dbraw/zinc/70/40/37/201704037.db2.gz DFRDEFPLGFKIMM-UHFFFAOYSA-N 2 1 292.467 2.248 20 0 CEADMP Cc1[nH+]ccc(N2CC[N@H+]3CCC[C@@H]3C2)c1Cl ZINC000336389094 365567701 /nfs/dbraw/zinc/56/77/01/365567701.db2.gz JUPKLJFBVGWDTD-LLVKDONJSA-N 2 1 251.761 2.328 20 0 CEADMP CC[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000121599566 365592074 /nfs/dbraw/zinc/59/20/74/365592074.db2.gz DJRGMZMYRLXPIG-OAHLLOKOSA-N 2 1 283.460 2.097 20 0 CEADMP Cc1cc(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(C)[nH]1 ZINC000121606806 365593727 /nfs/dbraw/zinc/59/37/27/365593727.db2.gz NJAHYGSEURASSW-UHFFFAOYSA-N 2 1 291.439 2.478 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CCC1 ZINC000449122752 282108991 /nfs/dbraw/zinc/10/89/91/282108991.db2.gz MADZTDLYFOVGCP-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP COC(C)(C)C[N@@H+](C)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000567662329 299071930 /nfs/dbraw/zinc/07/19/30/299071930.db2.gz LMSZVBZXBFUGGC-CYBMUJFWSA-N 2 1 268.376 2.225 20 0 CEADMP C[C@H](Cc1ccoc1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000449151021 282121092 /nfs/dbraw/zinc/12/10/92/282121092.db2.gz VEWJOGCYIRTYNY-GDBMZVCRSA-N 2 1 280.412 2.037 20 0 CEADMP C[N@H+](CCC(=O)OC(C)(C)C)CC[C@@H]1CCC[NH+]1C ZINC000125292061 365671513 /nfs/dbraw/zinc/67/15/13/365671513.db2.gz UBYVSLMSWGJTDQ-ZDUSSCGKSA-N 2 1 270.417 2.134 20 0 CEADMP C[NH+](CCC(=O)OC(C)(C)C)CC[C@@H]1CCC[N@@H+]1C ZINC000125292061 365671519 /nfs/dbraw/zinc/67/15/19/365671519.db2.gz UBYVSLMSWGJTDQ-ZDUSSCGKSA-N 2 1 270.417 2.134 20 0 CEADMP CCCCNC(=O)C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000125131595 187171155 /nfs/dbraw/zinc/17/11/55/187171155.db2.gz HJCZPYISDFVGIQ-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CCn1nnc(C)c1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000449200159 282139711 /nfs/dbraw/zinc/13/97/11/282139711.db2.gz BBURNWFUOFMYER-HNNXBMFYSA-N 2 1 293.459 2.064 20 0 CEADMP CCn1nnc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000449200159 282139714 /nfs/dbraw/zinc/13/97/14/282139714.db2.gz BBURNWFUOFMYER-HNNXBMFYSA-N 2 1 293.459 2.064 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCC[NH+]1CCCCC1 ZINC000036908161 361870214 /nfs/dbraw/zinc/87/02/14/361870214.db2.gz YFFGSQBFJOJXRO-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000036908161 361870217 /nfs/dbraw/zinc/87/02/17/361870217.db2.gz YFFGSQBFJOJXRO-BZUAXINKSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000036908161 361870219 /nfs/dbraw/zinc/87/02/19/361870219.db2.gz YFFGSQBFJOJXRO-BZUAXINKSA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000125458977 187186036 /nfs/dbraw/zinc/18/60/36/187186036.db2.gz ZNYZLWMVBVLVLH-INIZCTEOSA-N 2 1 284.407 2.256 20 0 CEADMP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000037680309 361920760 /nfs/dbraw/zinc/92/07/60/361920760.db2.gz DTWIZFMFHYURSN-GOOCMWNKSA-N 2 1 260.381 2.410 20 0 CEADMP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000037680309 361920765 /nfs/dbraw/zinc/92/07/65/361920765.db2.gz DTWIZFMFHYURSN-GOOCMWNKSA-N 2 1 260.381 2.410 20 0 CEADMP C[NH+](C)C/C=C\C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000492649960 290635539 /nfs/dbraw/zinc/63/55/39/290635539.db2.gz RPPFGNJAIVFDFG-WAYWQWQTSA-N 2 1 295.814 2.458 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH2+]CCCn2cc[nH+]c2C)CCO1 ZINC000337951450 214328867 /nfs/dbraw/zinc/32/88/67/214328867.db2.gz VKHOZGDGHDDFSA-LSDHHAIUSA-N 2 1 265.401 2.376 20 0 CEADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000449244190 282156673 /nfs/dbraw/zinc/15/66/73/282156673.db2.gz QNYFVCVRCNMKHP-GJZGRUSLSA-N 2 1 254.418 2.002 20 0 CEADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000449244190 282156676 /nfs/dbraw/zinc/15/66/76/282156676.db2.gz QNYFVCVRCNMKHP-GJZGRUSLSA-N 2 1 254.418 2.002 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337995922 214350897 /nfs/dbraw/zinc/35/08/97/214350897.db2.gz XVQFLPBBVMCZRB-GOEBONIOSA-N 2 1 286.435 2.341 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](CO)CC2CCCC2)CC1 ZINC000338014158 214360861 /nfs/dbraw/zinc/36/08/61/214360861.db2.gz GFAPNGMXBNLZBS-HNNXBMFYSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCOC3(CCC3)C2)CCCO1 ZINC000449283795 282170813 /nfs/dbraw/zinc/17/08/13/282170813.db2.gz MPPAJWAXBNYCOM-HOTGVXAUSA-N 2 1 296.455 2.179 20 0 CEADMP COCC1CCC([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000449285068 282172001 /nfs/dbraw/zinc/17/20/01/282172001.db2.gz QUJHPIKCESUUMQ-GTPINHCMSA-N 2 1 298.471 2.282 20 0 CEADMP COCC1CCC([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000449285068 282172002 /nfs/dbraw/zinc/17/20/02/282172002.db2.gz QUJHPIKCESUUMQ-GTPINHCMSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@@H]1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)O1 ZINC000123143997 539172496 /nfs/dbraw/zinc/17/24/96/539172496.db2.gz UFZVFWCSEUYTIZ-RGCMKSIDSA-N 2 1 252.402 2.159 20 0 CEADMP COC1CC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000668586526 539204522 /nfs/dbraw/zinc/20/45/22/539204522.db2.gz DMYBKJKEEDFWNX-DNOWBOINSA-N 2 1 252.402 2.160 20 0 CEADMP COC1CC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000668586526 539204524 /nfs/dbraw/zinc/20/45/24/539204524.db2.gz DMYBKJKEEDFWNX-DNOWBOINSA-N 2 1 252.402 2.160 20 0 CEADMP Cc1cccc(CC[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000449325815 282188820 /nfs/dbraw/zinc/18/88/20/282188820.db2.gz PUQDRTLNBPITAZ-UHFFFAOYSA-N 2 1 289.467 2.107 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cncc(Cl)c3)C[C@@H]21 ZINC000621775431 349698652 /nfs/dbraw/zinc/69/86/52/349698652.db2.gz OYOQCMFKJKXYTC-FPMFFAJLSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cncc(Cl)c3)C[C@@H]21 ZINC000621775431 349698655 /nfs/dbraw/zinc/69/86/55/349698655.db2.gz OYOQCMFKJKXYTC-FPMFFAJLSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCCOCCc1ccccc1)C2 ZINC000621779181 349700238 /nfs/dbraw/zinc/70/02/38/349700238.db2.gz BHAUYRXGIKOEKE-MSOLQXFVSA-N 2 1 288.435 2.449 20 0 CEADMP OCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000126809054 539235380 /nfs/dbraw/zinc/23/53/80/539235380.db2.gz XGOONYXLRICNJP-UHFFFAOYSA-N 2 1 288.435 2.056 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)(C)C)[NH2+]C)[C@@H](C)C1 ZINC000449367021 282202246 /nfs/dbraw/zinc/20/22/46/282202246.db2.gz UGYGQKFEJIRQHX-ZNMIVQPWSA-N 2 1 297.487 2.199 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000449367418 282202917 /nfs/dbraw/zinc/20/29/17/282202917.db2.gz WDTCJBQOUAFFSI-HUUCEWRRSA-N 2 1 297.487 2.343 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000449367417 282202845 /nfs/dbraw/zinc/20/28/45/282202845.db2.gz WDTCJBQOUAFFSI-GJZGRUSLSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC000080474527 539260878 /nfs/dbraw/zinc/26/08/78/539260878.db2.gz ZBUMJYINQMYCBT-OAHLLOKOSA-N 2 1 283.460 2.096 20 0 CEADMP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000234797691 539296230 /nfs/dbraw/zinc/29/62/30/539296230.db2.gz VECYZEFAVKYJFN-ZFWWWQNUSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H](C[C@H]1CCOC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000675736137 539300298 /nfs/dbraw/zinc/30/02/98/539300298.db2.gz NUJXEAQDZVSBGI-QWHCGFSZSA-N 2 1 252.402 2.018 20 0 CEADMP CCN(C(=O)CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CC)C1 ZINC000622146268 349803757 /nfs/dbraw/zinc/80/37/57/349803757.db2.gz MUWJSECGRGHWDI-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000622146268 349803746 /nfs/dbraw/zinc/80/37/46/349803746.db2.gz MUWJSECGRGHWDI-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CC)C1 ZINC000622146268 349803751 /nfs/dbraw/zinc/80/37/51/349803751.db2.gz MUWJSECGRGHWDI-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP COCC[N@H+](CCCn1cc[nH+]c1C)CC(C)C ZINC000127305440 365740807 /nfs/dbraw/zinc/74/08/07/365740807.db2.gz LIVLJACARNJZNM-UHFFFAOYSA-N 2 1 253.390 2.186 20 0 CEADMP COCC[N@@H+](CCCn1cc[nH+]c1C)CC(C)C ZINC000127305440 365740818 /nfs/dbraw/zinc/74/08/18/365740818.db2.gz LIVLJACARNJZNM-UHFFFAOYSA-N 2 1 253.390 2.186 20 0 CEADMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123921604 539304714 /nfs/dbraw/zinc/30/47/14/539304714.db2.gz DPAFHISLJIYHCB-BBRMVZONSA-N 2 1 274.408 2.332 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C1CC1 ZINC000344010283 282248845 /nfs/dbraw/zinc/24/88/45/282248845.db2.gz HNKCWFSHQZQGRE-TUVASFSCSA-N 2 1 266.429 2.120 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000567811784 299093811 /nfs/dbraw/zinc/09/38/11/299093811.db2.gz JRQJDDGLFCQJEU-WWGRRREGSA-N 2 1 289.423 2.261 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)CC1 ZINC000449507110 282262844 /nfs/dbraw/zinc/26/28/44/282262844.db2.gz DNRJMEFXNZOLEN-JKSUJKDBSA-N 2 1 270.461 2.349 20 0 CEADMP CC(C)[NH2+]CCC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000037618179 343429598 /nfs/dbraw/zinc/42/95/98/343429598.db2.gz NFOQPLUQENMBTL-UHFFFAOYSA-N 2 1 291.439 2.013 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044535235 343474293 /nfs/dbraw/zinc/47/42/93/343474293.db2.gz INTPRIBFMSZCGF-HNNXBMFYSA-N 2 1 275.396 2.076 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000126773480 187262351 /nfs/dbraw/zinc/26/23/51/187262351.db2.gz BAUSYVXUNKATJR-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000126773480 187262352 /nfs/dbraw/zinc/26/23/52/187262352.db2.gz BAUSYVXUNKATJR-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000126773480 187262354 /nfs/dbraw/zinc/26/23/54/187262354.db2.gz BAUSYVXUNKATJR-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000128036852 365772968 /nfs/dbraw/zinc/77/29/68/365772968.db2.gz SCTPLEOZFMXABY-UHFFFAOYSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000336711992 365776570 /nfs/dbraw/zinc/77/65/70/365776570.db2.gz LQECBFYFQMNLFB-OAHLLOKOSA-N 3 1 275.440 2.368 20 0 CEADMP CCc1ncc(C[N@H+](C)CCCn2cc[nH+]c2C)cn1 ZINC000414444230 529752297 /nfs/dbraw/zinc/75/22/97/529752297.db2.gz PDYZOOJLUGETQU-UHFFFAOYSA-N 2 1 273.384 2.066 20 0 CEADMP CCc1ncc(C[N@@H+](C)CCCn2cc[nH+]c2C)cn1 ZINC000414444230 529752298 /nfs/dbraw/zinc/75/22/98/529752298.db2.gz PDYZOOJLUGETQU-UHFFFAOYSA-N 2 1 273.384 2.066 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cnn(C)c3)CC2)[nH+]1 ZINC000128147506 365777363 /nfs/dbraw/zinc/77/73/63/365777363.db2.gz WFCALRLTNIWVLB-AWEZNQCLSA-N 2 1 299.422 2.443 20 0 CEADMP C[C@@H]([NH2+]Cc1cccnc1N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000295038889 199314796 /nfs/dbraw/zinc/31/47/96/199314796.db2.gz SOPORNODKPGQMI-HIFRSBDPSA-N 2 1 288.439 2.406 20 0 CEADMP C[C@@H]([NH2+]Cc1cccnc1N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000295038889 199314798 /nfs/dbraw/zinc/31/47/98/199314798.db2.gz SOPORNODKPGQMI-HIFRSBDPSA-N 2 1 288.439 2.406 20 0 CEADMP C[C@@H](CCC[NH3+])NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000449573966 282288762 /nfs/dbraw/zinc/28/87/62/282288762.db2.gz UXDQSEWIFLPBNI-FZMZJTMJSA-N 2 1 297.830 2.186 20 0 CEADMP C[C@H](CCC[NH3+])NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000449573965 282288860 /nfs/dbraw/zinc/28/88/60/282288860.db2.gz UXDQSEWIFLPBNI-BXUZGUMPSA-N 2 1 297.830 2.186 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)C[C@@H]12 ZINC000351480172 219100756 /nfs/dbraw/zinc/10/07/56/219100756.db2.gz UEEYSMQLWGJYNV-MRVWCRGKSA-N 2 1 282.334 2.457 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC2(CCCCC2)C1)C1CC1 ZINC000351492771 219103927 /nfs/dbraw/zinc/10/39/27/219103927.db2.gz SUQCFSKCJCYICE-MRXNPFEDSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC2(CCCCC2)C1)C1CC1 ZINC000351492771 219103929 /nfs/dbraw/zinc/10/39/29/219103929.db2.gz SUQCFSKCJCYICE-MRXNPFEDSA-N 2 1 280.456 2.488 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCC2(CCCCC2)C1)C1CC1 ZINC000351492771 219103931 /nfs/dbraw/zinc/10/39/31/219103931.db2.gz SUQCFSKCJCYICE-MRXNPFEDSA-N 2 1 280.456 2.488 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCCC2(CCCCC2)C1)C1CC1 ZINC000351492771 219103932 /nfs/dbraw/zinc/10/39/32/219103932.db2.gz SUQCFSKCJCYICE-MRXNPFEDSA-N 2 1 280.456 2.488 20 0 CEADMP C[C@H](O)CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000354697691 290070355 /nfs/dbraw/zinc/07/03/55/290070355.db2.gz BEWYNUCIUJWGTL-LZWOXQAQSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@H](O)CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000354697691 290070365 /nfs/dbraw/zinc/07/03/65/290070365.db2.gz BEWYNUCIUJWGTL-LZWOXQAQSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@H](O)CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000354697691 290070367 /nfs/dbraw/zinc/07/03/67/290070367.db2.gz BEWYNUCIUJWGTL-LZWOXQAQSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@H](O)CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000354697691 290070370 /nfs/dbraw/zinc/07/03/70/290070370.db2.gz BEWYNUCIUJWGTL-LZWOXQAQSA-N 2 1 266.429 2.096 20 0 CEADMP CSc1ccc(OCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351500319 219107634 /nfs/dbraw/zinc/10/76/34/219107634.db2.gz XBGDDEYRPKZREU-APHBMKBZSA-N 2 1 292.448 2.456 20 0 CEADMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000069753976 343790737 /nfs/dbraw/zinc/79/07/37/343790737.db2.gz OPDZCLJJXZHLEY-UHFFFAOYSA-N 2 1 289.379 2.389 20 0 CEADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOCC2CC2)C1 ZINC000081634744 344060562 /nfs/dbraw/zinc/06/05/62/344060562.db2.gz DTMUUEMMJZKLQZ-INIZCTEOSA-N 2 1 266.429 2.077 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOCC2CC2)C1 ZINC000081634744 344060567 /nfs/dbraw/zinc/06/05/67/344060567.db2.gz DTMUUEMMJZKLQZ-INIZCTEOSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000081634744 344060570 /nfs/dbraw/zinc/06/05/70/344060570.db2.gz DTMUUEMMJZKLQZ-INIZCTEOSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC000081634744 344060575 /nfs/dbraw/zinc/06/05/75/344060575.db2.gz DTMUUEMMJZKLQZ-INIZCTEOSA-N 2 1 266.429 2.077 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000049553869 362371787 /nfs/dbraw/zinc/37/17/87/362371787.db2.gz JKUIJZZQIOBMSB-OAHLLOKOSA-N 2 1 286.423 2.361 20 0 CEADMP C[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000111824631 344271893 /nfs/dbraw/zinc/27/18/93/344271893.db2.gz SIYBKZLKUKKETC-FUHWJXTLSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCOc1ccc(F)cc1 ZINC000124503660 344315038 /nfs/dbraw/zinc/31/50/38/344315038.db2.gz SUIMWXUBWTZOCT-JSGCOSHPSA-N 2 1 266.360 2.406 20 0 CEADMP C[C@@H](NCCF)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000166574162 344476239 /nfs/dbraw/zinc/47/62/39/344476239.db2.gz VIHKJXSQFMOHSZ-UKRRQHHQSA-N 2 1 250.361 2.456 20 0 CEADMP C[C@@H]([NH2+]CCF)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000166574162 344476241 /nfs/dbraw/zinc/47/62/41/344476241.db2.gz VIHKJXSQFMOHSZ-UKRRQHHQSA-N 2 1 250.361 2.456 20 0 CEADMP C[C@@H]([NH2+]CCF)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000166574162 344476244 /nfs/dbraw/zinc/47/62/44/344476244.db2.gz VIHKJXSQFMOHSZ-UKRRQHHQSA-N 2 1 250.361 2.456 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(F)c1 ZINC000228591771 344561773 /nfs/dbraw/zinc/56/17/73/344561773.db2.gz ORQPITKRLVLVIS-VXGBXAGGSA-N 2 1 266.360 2.394 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(F)c1 ZINC000228591771 344561775 /nfs/dbraw/zinc/56/17/75/344561775.db2.gz ORQPITKRLVLVIS-VXGBXAGGSA-N 2 1 266.360 2.394 20 0 CEADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000234715736 344586898 /nfs/dbraw/zinc/58/68/98/344586898.db2.gz VGTLDGRNFCMQJG-GDBMZVCRSA-N 2 1 262.397 2.306 20 0 CEADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000234715736 344586901 /nfs/dbraw/zinc/58/69/01/344586901.db2.gz VGTLDGRNFCMQJG-GDBMZVCRSA-N 2 1 262.397 2.306 20 0 CEADMP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050248065 362413103 /nfs/dbraw/zinc/41/31/03/362413103.db2.gz FTNRCJZMFIDYEW-HNNXBMFYSA-N 2 1 262.397 2.353 20 0 CEADMP C[N@@H+](CCCNC(=[NH2+])NC(C)(C)C)Cc1ccccc1 ZINC000052041135 362462063 /nfs/dbraw/zinc/46/20/63/362462063.db2.gz OQPIRTXBIORFNY-UHFFFAOYSA-N 2 1 276.428 2.421 20 0 CEADMP C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000247079727 344619338 /nfs/dbraw/zinc/61/93/38/344619338.db2.gz OTBXWDFVBVCWRM-NQNKBUKLSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H](CN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000247079727 344619340 /nfs/dbraw/zinc/61/93/40/344619340.db2.gz OTBXWDFVBVCWRM-NQNKBUKLSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H](CN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000247079727 344619341 /nfs/dbraw/zinc/61/93/41/344619341.db2.gz OTBXWDFVBVCWRM-NQNKBUKLSA-N 2 1 281.488 2.425 20 0 CEADMP CCc1noc(C)c1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000333852744 539401716 /nfs/dbraw/zinc/40/17/16/539401716.db2.gz QIEHUZGSRLFTRB-HZMBPMFUSA-N 2 1 251.374 2.023 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(C(=O)OC)cc2)CC[C@H]1[NH3+] ZINC000251929490 344637975 /nfs/dbraw/zinc/63/79/75/344637975.db2.gz ZCDLOPOMXDKVBL-UKRRQHHQSA-N 2 1 276.380 2.032 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C/C=C\c3ccccc3)C2)CC1 ZINC000255769638 344646603 /nfs/dbraw/zinc/64/66/03/344646603.db2.gz IHYXGBNPLGJRRB-QBUQCISBSA-N 2 1 299.462 2.412 20 0 CEADMP c1ccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000257659728 344648455 /nfs/dbraw/zinc/64/84/55/344648455.db2.gz GCBOWGDWZOZRNM-INIZCTEOSA-N 2 1 260.381 2.141 20 0 CEADMP COc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000312286654 344737988 /nfs/dbraw/zinc/73/79/88/344737988.db2.gz RUALDDLRQNOBAI-GFCCVEGCSA-N 2 1 266.360 2.266 20 0 CEADMP COc1cc(F)cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000312286654 344737991 /nfs/dbraw/zinc/73/79/91/344737991.db2.gz RUALDDLRQNOBAI-GFCCVEGCSA-N 2 1 266.360 2.266 20 0 CEADMP C[C@H](CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000312923861 344740123 /nfs/dbraw/zinc/74/01/23/344740123.db2.gz MVQMOPKBWHQBEF-RHSMWYFYSA-N 2 1 276.424 2.225 20 0 CEADMP C[C@H](CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000312923861 344740126 /nfs/dbraw/zinc/74/01/26/344740126.db2.gz MVQMOPKBWHQBEF-RHSMWYFYSA-N 2 1 276.424 2.225 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000305894571 344711024 /nfs/dbraw/zinc/71/10/24/344711024.db2.gz ATRMHFGSRZZHIT-HNNXBMFYSA-N 2 1 254.418 2.254 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc2[nH]ccc21 ZINC000401755046 344869701 /nfs/dbraw/zinc/86/97/01/344869701.db2.gz DFIYZPFBMRAVBH-UHFFFAOYSA-N 2 1 254.337 2.234 20 0 CEADMP CCCn1nccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000668168846 539431884 /nfs/dbraw/zinc/43/18/84/539431884.db2.gz CAGGMABRIHZVMA-MRXNPFEDSA-N 2 1 290.455 2.457 20 0 CEADMP c1ccc2c(c1)n[nH]c2C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000589641813 345091598 /nfs/dbraw/zinc/09/15/98/345091598.db2.gz SCFZWAIDTKERAB-CHWSQXEVSA-N 2 1 270.380 2.279 20 0 CEADMP c1ccc2c(c1)n[nH]c2C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000589641813 345091601 /nfs/dbraw/zinc/09/16/01/345091601.db2.gz SCFZWAIDTKERAB-CHWSQXEVSA-N 2 1 270.380 2.279 20 0 CEADMP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2ccco2)CC1 ZINC000351632314 219154496 /nfs/dbraw/zinc/15/44/96/219154496.db2.gz JJNYDEOBNCYAKD-INIZCTEOSA-N 2 1 291.439 2.272 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2ccco2)CC1 ZINC000351632314 219154497 /nfs/dbraw/zinc/15/44/97/219154497.db2.gz JJNYDEOBNCYAKD-INIZCTEOSA-N 2 1 291.439 2.272 20 0 CEADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000591272390 345236863 /nfs/dbraw/zinc/23/68/63/345236863.db2.gz HKVKARABDDMYFQ-QLFBSQMISA-N 2 1 296.455 2.286 20 0 CEADMP CCSCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593729437 345528818 /nfs/dbraw/zinc/52/88/18/345528818.db2.gz DYZDLERHEVLMIW-MCIONIFRSA-N 2 1 272.458 2.100 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)[C@H]1SC ZINC000593644364 345515949 /nfs/dbraw/zinc/51/59/49/345515949.db2.gz CLONONPPAOODKE-RBSFLKMASA-N 2 1 288.501 2.463 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000594514311 345641621 /nfs/dbraw/zinc/64/16/21/345641621.db2.gz NSXISRJMHGRAKN-MJBXVCDLSA-N 2 1 284.444 2.284 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594976335 345720945 /nfs/dbraw/zinc/72/09/45/345720945.db2.gz ABYINKLYPPPQAT-OCVGTWLNSA-N 2 1 294.439 2.181 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000594976335 345720946 /nfs/dbraw/zinc/72/09/46/345720946.db2.gz ABYINKLYPPPQAT-OCVGTWLNSA-N 2 1 294.439 2.181 20 0 CEADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000595017344 345728461 /nfs/dbraw/zinc/72/84/61/345728461.db2.gz UKOQRJOAMXSPDH-GFCCVEGCSA-N 2 1 281.400 2.149 20 0 CEADMP CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000595447675 345784522 /nfs/dbraw/zinc/78/45/22/345784522.db2.gz IFMOAYNOSAXDKT-RBSFLKMASA-N 2 1 288.501 2.341 20 0 CEADMP C[C@H](O)C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000162039394 232256782 /nfs/dbraw/zinc/25/67/82/232256782.db2.gz MJEFRQUGWKEFBM-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cs1 ZINC000595896198 345909373 /nfs/dbraw/zinc/90/93/73/345909373.db2.gz IWVCIQOAYLMSCF-AAEUAGOBSA-N 2 1 296.436 2.484 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cs1 ZINC000595896198 345909376 /nfs/dbraw/zinc/90/93/76/345909376.db2.gz IWVCIQOAYLMSCF-AAEUAGOBSA-N 2 1 296.436 2.484 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCCCO1 ZINC000178443357 232373293 /nfs/dbraw/zinc/37/32/93/232373293.db2.gz AXUYAVLTWLCHFJ-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCCCO1 ZINC000178443357 232373295 /nfs/dbraw/zinc/37/32/95/232373295.db2.gz AXUYAVLTWLCHFJ-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1(C)C ZINC000085398038 179050786 /nfs/dbraw/zinc/05/07/86/179050786.db2.gz ZVTDNDFXTFWFCM-MELADBBJSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)(C)[NH+]1CCC(N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000061983662 362700317 /nfs/dbraw/zinc/70/03/17/362700317.db2.gz XFFKQNSOODXJSJ-AWEZNQCLSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCN(C3CC3)C2)CC1 ZINC000061983662 362700320 /nfs/dbraw/zinc/70/03/20/362700320.db2.gz XFFKQNSOODXJSJ-AWEZNQCLSA-N 2 1 265.445 2.076 20 0 CEADMP CCCCN1CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000336789972 365810305 /nfs/dbraw/zinc/81/03/05/365810305.db2.gz KJXOJSSNECUTST-CQSZACIVSA-N 2 1 255.450 2.358 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)CC1(C)C ZINC000598981106 346441156 /nfs/dbraw/zinc/44/11/56/346441156.db2.gz MMEOCJUSBDSGRL-QJNYJZHLSA-N 2 1 286.485 2.139 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)CC1(C)C ZINC000598981106 346441157 /nfs/dbraw/zinc/44/11/57/346441157.db2.gz MMEOCJUSBDSGRL-QJNYJZHLSA-N 2 1 286.485 2.139 20 0 CEADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000568269837 299131920 /nfs/dbraw/zinc/13/19/20/299131920.db2.gz ZOURBRYJQLAMNY-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CCO)C(C)(C)C)CC1(C)C ZINC000599044209 346451042 /nfs/dbraw/zinc/45/10/42/346451042.db2.gz LDVWJUTXQUZXEC-STQMWFEESA-N 2 1 256.434 2.246 20 0 CEADMP COC(=O)C1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000602610506 347101380 /nfs/dbraw/zinc/10/13/80/347101380.db2.gz YSSXCFRJMSRIJI-KGLIPLIRSA-N 2 1 282.428 2.182 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000336798376 365823192 /nfs/dbraw/zinc/82/31/92/365823192.db2.gz DTUGXUAYGNVROX-CVEARBPZSA-N 2 1 265.445 2.031 20 0 CEADMP C[C@@H]1CCC[C@](CNC(=O)[C@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000600965673 346720899 /nfs/dbraw/zinc/72/08/99/346720899.db2.gz TYWJCHBJNDMNIH-INMHGKMJSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000336810564 365848114 /nfs/dbraw/zinc/84/81/14/365848114.db2.gz IKONEUMUNCJWRC-ZFWWWQNUSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000336810564 365848118 /nfs/dbraw/zinc/84/81/18/365848118.db2.gz IKONEUMUNCJWRC-ZFWWWQNUSA-N 2 1 265.401 2.207 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCOC)[C@H](C)C1 ZINC000129455555 365861295 /nfs/dbraw/zinc/86/12/95/365861295.db2.gz AXDGAVLZYUZYLB-ZIAGYGMSSA-N 2 1 256.434 2.369 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)[nH]1 ZINC000602722372 347170916 /nfs/dbraw/zinc/17/09/16/347170916.db2.gz CHAWTSXSCNPBAW-ZDUSSCGKSA-N 2 1 293.411 2.013 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)[nH]1 ZINC000602722372 347170918 /nfs/dbraw/zinc/17/09/18/347170918.db2.gz CHAWTSXSCNPBAW-ZDUSSCGKSA-N 2 1 293.411 2.013 20 0 CEADMP CCc1nocc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000339281459 215062520 /nfs/dbraw/zinc/06/25/20/215062520.db2.gz JURSCRDAQLFHRD-AGUYFDCRSA-N 2 1 263.385 2.342 20 0 CEADMP CCc1nocc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000339281459 215062522 /nfs/dbraw/zinc/06/25/22/215062522.db2.gz JURSCRDAQLFHRD-AGUYFDCRSA-N 2 1 263.385 2.342 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCCF)[C@@H](C)C1 ZINC000351823068 219216440 /nfs/dbraw/zinc/21/64/40/219216440.db2.gz KYZBSPIFFBOPJA-LSDHHAIUSA-N 2 1 274.424 2.463 20 0 CEADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)CC(C)C ZINC000606371345 347467665 /nfs/dbraw/zinc/46/76/65/347467665.db2.gz NEOAZKQAHIPVAN-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000336831880 365897167 /nfs/dbraw/zinc/89/71/67/365897167.db2.gz RZERIDIWQFEXMV-IAGOWNOFSA-N 2 1 282.472 2.447 20 0 CEADMP CCc1cc(NCCNc2cccc(C)[nH+]2)cc[nH+]1 ZINC000450329443 282555762 /nfs/dbraw/zinc/55/57/62/282555762.db2.gz LAOWBHJTJOTOGL-UHFFFAOYSA-N 2 1 256.353 2.293 20 0 CEADMP COC(=O)C[C@H]1CCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000611243484 347757879 /nfs/dbraw/zinc/75/78/79/347757879.db2.gz JHVIWKSBWSUWIG-OAHLLOKOSA-N 2 1 293.411 2.389 20 0 CEADMP COC(=O)C[C@H]1CCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000611243484 347757881 /nfs/dbraw/zinc/75/78/81/347757881.db2.gz JHVIWKSBWSUWIG-OAHLLOKOSA-N 2 1 293.411 2.389 20 0 CEADMP CCc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000130275110 365938632 /nfs/dbraw/zinc/93/86/32/365938632.db2.gz PNHSZVGTGKYSCS-WCQYABFASA-N 2 1 267.442 2.178 20 0 CEADMP CC(=O)c1c(C)cc(C)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000613209744 347997314 /nfs/dbraw/zinc/99/73/14/347997314.db2.gz FYXXOGWADQECSX-HZPDHXFCSA-N 2 1 286.419 2.466 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339414475 215157054 /nfs/dbraw/zinc/15/70/54/215157054.db2.gz CCPUKOPINNCHML-INIZCTEOSA-N 2 1 288.435 2.486 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc2ccccc2n1 ZINC000614389667 348191432 /nfs/dbraw/zinc/19/14/32/348191432.db2.gz WUTRERVJQKOFRG-UHFFFAOYSA-N 2 1 281.363 2.315 20 0 CEADMP CC(C)CC[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000339410246 215154702 /nfs/dbraw/zinc/15/47/02/215154702.db2.gz PWSQGOOMLQUUSN-OAHLLOKOSA-N 2 1 290.455 2.410 20 0 CEADMP C[N@H+]1CCC[C@]2(CCN(CCC[NH+]3CCCCC3)C2)C1 ZINC000339441448 215174599 /nfs/dbraw/zinc/17/45/99/215174599.db2.gz OOTTZLHWJPENBU-KRWDZBQOSA-N 2 1 279.472 2.280 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@]2(O)CCCC2(C)C)s1 ZINC000339470211 215192976 /nfs/dbraw/zinc/19/29/76/215192976.db2.gz RPRZRWYLIUWENW-OAHLLOKOSA-N 2 1 297.468 2.236 20 0 CEADMP FC(F)Oc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357061228 233001891 /nfs/dbraw/zinc/00/18/91/233001891.db2.gz ZUWWTBYSUMXYCI-OLZOCXBDSA-N 2 1 282.334 2.329 20 0 CEADMP FC(F)Oc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357061228 233001892 /nfs/dbraw/zinc/00/18/92/233001892.db2.gz ZUWWTBYSUMXYCI-OLZOCXBDSA-N 2 1 282.334 2.329 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)[C@@H]1CCCO1 ZINC000087266371 539631898 /nfs/dbraw/zinc/63/18/98/539631898.db2.gz LQONZFGCNBFGEK-SOUVJXGZSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCN2CCCCCC2=O)CC1(C)C ZINC000623338518 349991474 /nfs/dbraw/zinc/99/14/74/349991474.db2.gz DAGMXKASIUKVMJ-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)CC1(C)C ZINC000623343898 349993556 /nfs/dbraw/zinc/99/35/56/349993556.db2.gz OEVSKPALRLXWHC-CABCVRRESA-N 2 1 284.444 2.035 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000617004160 348606799 /nfs/dbraw/zinc/60/67/99/348606799.db2.gz LXBFXILFLYKVNO-OAHLLOKOSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCC1(C)C ZINC000617507233 348718295 /nfs/dbraw/zinc/71/82/95/348718295.db2.gz NGBWAUALIJVNOX-LSDHHAIUSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCC1(C)C ZINC000617507233 348718299 /nfs/dbraw/zinc/71/82/99/348718299.db2.gz NGBWAUALIJVNOX-LSDHHAIUSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CC(C)(C)C1CC1 ZINC000617507841 348718864 /nfs/dbraw/zinc/71/88/64/348718864.db2.gz LEOMCQMHXIVMTO-AWEZNQCLSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CC(C)(C)C1CC1 ZINC000617507841 348718866 /nfs/dbraw/zinc/71/88/66/348718866.db2.gz LEOMCQMHXIVMTO-AWEZNQCLSA-N 2 1 297.487 2.201 20 0 CEADMP Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000617503636 348718962 /nfs/dbraw/zinc/71/89/62/348718962.db2.gz ROBTZFNQPARQIL-LBPRGKRZSA-N 2 1 297.468 2.058 20 0 CEADMP Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000617503636 348718963 /nfs/dbraw/zinc/71/89/63/348718963.db2.gz ROBTZFNQPARQIL-LBPRGKRZSA-N 2 1 297.468 2.058 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000339280306 539687667 /nfs/dbraw/zinc/68/76/67/539687667.db2.gz FSCBIZGILFFSGD-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000459777134 290236844 /nfs/dbraw/zinc/23/68/44/290236844.db2.gz KCLLCHCRZWDVEG-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)CC1(C)C ZINC000623373561 350002820 /nfs/dbraw/zinc/00/28/20/350002820.db2.gz DDRCFVBZVHJHNE-AWEZNQCLSA-N 2 1 280.387 2.280 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)CC1(C)C ZINC000623373561 350002823 /nfs/dbraw/zinc/00/28/23/350002823.db2.gz DDRCFVBZVHJHNE-AWEZNQCLSA-N 2 1 280.387 2.280 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000620623935 349406972 /nfs/dbraw/zinc/40/69/72/349406972.db2.gz IWWSWOKWSVNSPZ-OKILXGFUSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000620623935 349406975 /nfs/dbraw/zinc/40/69/75/349406975.db2.gz IWWSWOKWSVNSPZ-OKILXGFUSA-N 2 1 283.460 2.096 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623412974 350012771 /nfs/dbraw/zinc/01/27/71/350012771.db2.gz GGNOEQYHOJGFNW-OAHLLOKOSA-N 2 1 261.413 2.395 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCCCO1 ZINC000623486862 350032164 /nfs/dbraw/zinc/03/21/64/350032164.db2.gz LKWRAGMFTVSZKG-BFHYXJOUSA-N 2 1 254.418 2.406 20 0 CEADMP CCC(CC)[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623413697 350013997 /nfs/dbraw/zinc/01/39/97/350013997.db2.gz DMNPMZQGMMYHEP-KGLIPLIRSA-N 2 1 256.434 2.246 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)C2CCCCC2)CC1(C)C ZINC000623437371 350020287 /nfs/dbraw/zinc/02/02/87/350020287.db2.gz CTDFPPQMPZKFBI-LSDHHAIUSA-N 2 1 268.445 2.390 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)CC1(C)C ZINC000623454571 350025067 /nfs/dbraw/zinc/02/50/67/350025067.db2.gz KTBLXLRTDDKRRJ-CABCVRRESA-N 2 1 296.455 2.177 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1(C)C ZINC000623454574 350025501 /nfs/dbraw/zinc/02/55/01/350025501.db2.gz KTBLXLRTDDKRRJ-LSDHHAIUSA-N 2 1 296.455 2.177 20 0 CEADMP Cc1ncsc1CNC[C@H]1CCCC[N@H+](C)C1 ZINC000623655851 350075037 /nfs/dbraw/zinc/07/50/37/350075037.db2.gz HJUPARDGQKHCET-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP Cc1ncsc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623655851 350075041 /nfs/dbraw/zinc/07/50/41/350075041.db2.gz HJUPARDGQKHCET-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP Cc1ncsc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623655851 350075042 /nfs/dbraw/zinc/07/50/42/350075042.db2.gz HJUPARDGQKHCET-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623658244 350076917 /nfs/dbraw/zinc/07/69/17/350076917.db2.gz OYIPWHYQTRPRLE-ZDUSSCGKSA-N 2 1 272.396 2.384 20 0 CEADMP CC(C)n1cncc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657445 350077453 /nfs/dbraw/zinc/07/74/53/350077453.db2.gz RABMKOQPLMTAOR-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP CC(C)n1cncc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657445 350077455 /nfs/dbraw/zinc/07/74/55/350077455.db2.gz RABMKOQPLMTAOR-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000352052630 219304173 /nfs/dbraw/zinc/30/41/73/219304173.db2.gz MVHNTRBSYTUHJJ-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000623514339 350038915 /nfs/dbraw/zinc/03/89/15/350038915.db2.gz JIUDGWCXVFWCOR-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CCCC2 ZINC000623529572 350042639 /nfs/dbraw/zinc/04/26/39/350042639.db2.gz PEPOXYPGFQZSGK-CYBMUJFWSA-N 2 1 290.455 2.261 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CCCC2 ZINC000623529572 350042643 /nfs/dbraw/zinc/04/26/43/350042643.db2.gz PEPOXYPGFQZSGK-CYBMUJFWSA-N 2 1 290.455 2.261 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)CC1(C)C ZINC000623535375 350043562 /nfs/dbraw/zinc/04/35/62/350043562.db2.gz XNDVLTXAEPPAMO-JKSUJKDBSA-N 2 1 294.414 2.192 20 0 CEADMP CCC[C@@H](C)C(=O)NCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623532445 350043709 /nfs/dbraw/zinc/04/37/09/350043709.db2.gz RUTDLVYYUBLYON-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP CCn1cc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623542127 350045807 /nfs/dbraw/zinc/04/58/07/350045807.db2.gz OMVYXVRLWRNQBX-OCCSQVGLSA-N 2 1 264.417 2.426 20 0 CEADMP CCn1cc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623542127 350045808 /nfs/dbraw/zinc/04/58/08/350045808.db2.gz OMVYXVRLWRNQBX-OCCSQVGLSA-N 2 1 264.417 2.426 20 0 CEADMP C[N@H+]1CC[C@@H](NCc2ccc3c[nH+]cn3c2)CC1(C)C ZINC000623546538 350046951 /nfs/dbraw/zinc/04/69/51/350046951.db2.gz GJGLISCMMPJQED-CQSZACIVSA-N 2 1 272.396 2.297 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@H](C)O1 ZINC000623550235 350047568 /nfs/dbraw/zinc/04/75/68/350047568.db2.gz GGCWLMWWPVIIHT-XJFOESAGSA-N 2 1 254.418 2.262 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000623552781 350049050 /nfs/dbraw/zinc/04/90/50/350049050.db2.gz WDZRFZGRLGQURT-HZSPNIEDSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H](Cc1ccccn1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623561264 350051723 /nfs/dbraw/zinc/05/17/23/350051723.db2.gz HJWLBZIIBZNXGL-ZFWWWQNUSA-N 2 1 261.413 2.475 20 0 CEADMP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)O1 ZINC000623570219 350053563 /nfs/dbraw/zinc/05/35/63/350053563.db2.gz LEEADJJKNVZYLB-RDBSUJKOSA-N 2 1 254.418 2.406 20 0 CEADMP COc1nc2ccccc2cc1CNC[C@H]1CCC[N@@H+]1C ZINC000623634439 350071606 /nfs/dbraw/zinc/07/16/06/350071606.db2.gz BWBBPTAZQYDTLQ-OAHLLOKOSA-N 2 1 285.391 2.427 20 0 CEADMP COc1nc2ccccc2cc1CNC[C@H]1CCC[N@H+]1C ZINC000623634439 350071609 /nfs/dbraw/zinc/07/16/09/350071609.db2.gz BWBBPTAZQYDTLQ-OAHLLOKOSA-N 2 1 285.391 2.427 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)CC[N@H+]1C ZINC000090721847 180032044 /nfs/dbraw/zinc/03/20/44/180032044.db2.gz IWNFEEMBHLNRAC-HOCLYGCPSA-N 2 1 284.407 2.445 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCCO1 ZINC000623860717 350128382 /nfs/dbraw/zinc/12/83/82/350128382.db2.gz CJYSZXJCEDVYJO-KCQAQPDRSA-N 2 1 252.402 2.018 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCCO2)C1 ZINC000623871961 350131764 /nfs/dbraw/zinc/13/17/64/350131764.db2.gz QJFNUQITXPUQPX-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC000624119936 350198411 /nfs/dbraw/zinc/19/84/11/350198411.db2.gz MVFYOUKHKMCZMA-AWEZNQCLSA-N 2 1 258.409 2.475 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000624123583 350201413 /nfs/dbraw/zinc/20/14/13/350201413.db2.gz ONUQCDANPQBGFG-XQLPTFJDSA-N 2 1 266.429 2.121 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000091662849 180219734 /nfs/dbraw/zinc/21/97/34/180219734.db2.gz PKCZRYMVHKEYQN-QKPAOTATSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000091662849 180219735 /nfs/dbraw/zinc/21/97/35/180219735.db2.gz PKCZRYMVHKEYQN-QKPAOTATSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+](C)C2CCC([NH3+])CC2)cc1C ZINC000091846968 180270653 /nfs/dbraw/zinc/27/06/53/180270653.db2.gz NIXAEIBXTZOYOS-UHFFFAOYSA-N 2 1 289.423 2.444 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000352128797 219332016 /nfs/dbraw/zinc/33/20/16/219332016.db2.gz IHUIRAFDUKHYKX-ZIAGYGMSSA-N 2 1 295.427 2.165 20 0 CEADMP OCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000251423271 539795989 /nfs/dbraw/zinc/79/59/89/539795989.db2.gz SNYOJJQYHNDVDG-CABCVRRESA-N 2 1 266.429 2.146 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](OCC)C2CC2)C1 ZINC000625212868 350431102 /nfs/dbraw/zinc/43/11/02/350431102.db2.gz ZTAVDNCWQSDWSY-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1(CO)CCC1 ZINC000339736518 215319221 /nfs/dbraw/zinc/31/92/21/215319221.db2.gz FDPFMFTYAFHVEZ-LSDHHAIUSA-N 2 1 268.445 2.248 20 0 CEADMP CCO[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C1CC1 ZINC000625371379 350482810 /nfs/dbraw/zinc/48/28/10/350482810.db2.gz NCRLMCGZKMBUPX-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000307637648 539800423 /nfs/dbraw/zinc/80/04/23/539800423.db2.gz XCCXRYDZFKZQEB-AEFFLSMTSA-N 2 1 287.451 2.144 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn3ccccc3n2)[C@H](C)C1 ZINC000130588573 365971128 /nfs/dbraw/zinc/97/11/28/365971128.db2.gz TWHJFAJADDBMLU-GDBMZVCRSA-N 2 1 286.423 2.197 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cn2ccccc2n1 ZINC000130605976 365972703 /nfs/dbraw/zinc/97/27/03/365972703.db2.gz VYDBIVAXHXYTML-YCPHGPKFSA-N 3 1 286.423 2.195 20 0 CEADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCc1cn2ccccc2n1 ZINC000130605976 365972707 /nfs/dbraw/zinc/97/27/07/365972707.db2.gz VYDBIVAXHXYTML-YCPHGPKFSA-N 3 1 286.423 2.195 20 0 CEADMP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1F ZINC000110649852 186310345 /nfs/dbraw/zinc/31/03/45/186310345.db2.gz RPQRQBVEVWSZOT-GFCCVEGCSA-N 2 1 293.386 2.132 20 0 CEADMP Cc1c[nH]c(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000628184498 350995477 /nfs/dbraw/zinc/99/54/77/350995477.db2.gz NYQDIGPJSKWZAU-UHFFFAOYSA-N 2 1 264.417 2.272 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(C2CC2)o1 ZINC000628201453 351001746 /nfs/dbraw/zinc/00/17/46/351001746.db2.gz GQEXEJOJQOITMX-NSHDSACASA-N 2 1 274.368 2.483 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc4n[nH]cc43)C2)C1 ZINC000628292579 351045191 /nfs/dbraw/zinc/04/51/91/351045191.db2.gz KNIXWKRFSATUQH-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc4n[nH]cc43)C2)C1 ZINC000628292579 351045193 /nfs/dbraw/zinc/04/51/93/351045193.db2.gz KNIXWKRFSATUQH-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc4n[nH]cc43)C2)C1 ZINC000628292579 351045195 /nfs/dbraw/zinc/04/51/95/351045195.db2.gz KNIXWKRFSATUQH-MRXNPFEDSA-N 2 1 270.380 2.091 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](O)c1cccc(F)c1 ZINC000271427375 191130690 /nfs/dbraw/zinc/13/06/90/191130690.db2.gz BIZGHZKTIKQSRD-IEAZIUSSSA-N 2 1 292.398 2.464 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)C[NH2+]1 ZINC000629543331 351404892 /nfs/dbraw/zinc/40/48/92/351404892.db2.gz YRPQFUHSQUMEBU-KBXIAJHMSA-N 2 1 276.428 2.176 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(CC)CC ZINC000629543918 351404992 /nfs/dbraw/zinc/40/49/92/351404992.db2.gz FRAWRAUZTKHKMB-REWJHTLYSA-N 2 1 254.418 2.310 20 0 CEADMP CCC[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)OCC ZINC000629515001 351384070 /nfs/dbraw/zinc/38/40/70/351384070.db2.gz OMRANKWLWBXMFH-VXGBXAGGSA-N 2 1 251.374 2.350 20 0 CEADMP CC[C@@H]([NH2+][C@H]1COc2cccc(C)c2C1)[C@@H]1CCC[NH2+]1 ZINC000629515654 351385375 /nfs/dbraw/zinc/38/53/75/351385375.db2.gz VQRJVWBCHUWGRR-BMFZPTHFSA-N 2 1 274.408 2.419 20 0 CEADMP [NH3+]C1(C[NH2+][C@H]2CCSc3ccc(F)cc32)CCOCC1 ZINC000629521343 351387831 /nfs/dbraw/zinc/38/78/31/351387831.db2.gz MXRCSNJGTZBJCN-ZDUSSCGKSA-N 2 1 296.411 2.460 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)Cc1ccccc1F ZINC000629527096 351391557 /nfs/dbraw/zinc/39/15/57/351391557.db2.gz JZQNIFKLNFEGHB-BYCMXARLSA-N 2 1 250.361 2.487 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1CC1 ZINC000629533262 351396210 /nfs/dbraw/zinc/39/62/10/351396210.db2.gz QGIZDIYHQAWIKJ-BZUAXINKSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629408562 351354887 /nfs/dbraw/zinc/35/48/87/351354887.db2.gz WTPSHHVHJSKMBY-SLEUVZQESA-N 2 1 250.361 2.487 20 0 CEADMP Fc1ccc2c(c1)OCC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000629595480 351427104 /nfs/dbraw/zinc/42/71/04/351427104.db2.gz QANPJKWGXMOVKD-GFCCVEGCSA-N 2 1 264.344 2.020 20 0 CEADMP C1=C(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)COCC1 ZINC000629650168 351448660 /nfs/dbraw/zinc/44/86/60/351448660.db2.gz PWMQTGBTQZIYDY-MRXNPFEDSA-N 2 1 264.413 2.045 20 0 CEADMP CCc1cnc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000130203932 539814386 /nfs/dbraw/zinc/81/43/86/539814386.db2.gz QARJPBMFUDPIKY-NEPJUHHUSA-N 2 1 267.442 2.320 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCOc3cc(F)ccc3C2)CC[NH2+]1 ZINC000629673831 351460879 /nfs/dbraw/zinc/46/08/79/351460879.db2.gz JPMZKCCDVBXXLL-CHWSQXEVSA-N 2 1 278.371 2.408 20 0 CEADMP CC(C)COCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560996 351414984 /nfs/dbraw/zinc/41/49/84/351414984.db2.gz GJWZUMSSTNFNFX-RYUDHWBXSA-N 2 1 282.350 2.118 20 0 CEADMP CC(C)COCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560996 351414987 /nfs/dbraw/zinc/41/49/87/351414987.db2.gz GJWZUMSSTNFNFX-RYUDHWBXSA-N 2 1 282.350 2.118 20 0 CEADMP CC[C@H](C)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564257 351415450 /nfs/dbraw/zinc/41/54/50/351415450.db2.gz SERRKSRCMRCZHG-GARJFASQSA-N 2 1 252.324 2.492 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](CCc2cccnc2)CC[C@H]1C(F)(F)F ZINC000629566645 351417132 /nfs/dbraw/zinc/41/71/32/351417132.db2.gz ZVXBAKRIDXTRQN-CHWSQXEVSA-N 2 1 287.329 2.083 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCc2cccnc2)CC[C@H]1C(F)(F)F ZINC000629566645 351417136 /nfs/dbraw/zinc/41/71/36/351417136.db2.gz ZVXBAKRIDXTRQN-CHWSQXEVSA-N 2 1 287.329 2.083 20 0 CEADMP CC(C)OCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565377 351417534 /nfs/dbraw/zinc/41/75/34/351417534.db2.gz WKZVBTHFMYDMHH-RYUDHWBXSA-N 2 1 282.350 2.261 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C(C)C)nc1C ZINC000629572529 351418650 /nfs/dbraw/zinc/41/86/50/351418650.db2.gz WAYJJZGSNXUGPA-UHFFFAOYSA-N 2 1 279.428 2.181 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000629571785 351418829 /nfs/dbraw/zinc/41/88/29/351418829.db2.gz QLZYGRTYRSFPSM-NSHDSACASA-N 2 1 272.339 2.194 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)CCCc1ccccc1C ZINC000629570933 351418979 /nfs/dbraw/zinc/41/89/79/351418979.db2.gz HMLFLJPKLKAVII-UHFFFAOYSA-N 2 1 264.413 2.095 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000629571784 351419030 /nfs/dbraw/zinc/41/90/30/351419030.db2.gz QLZYGRTYRSFPSM-LLVKDONJSA-N 2 1 272.339 2.194 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCCCC1(C)C ZINC000629572316 351419823 /nfs/dbraw/zinc/41/98/23/351419823.db2.gz QDDOTCISSWSJNT-CQSZACIVSA-N 2 1 256.434 2.371 20 0 CEADMP C[N@@H+](CCOCC[NH3+])CCOc1ccc2ccccc2c1 ZINC000629579289 351420581 /nfs/dbraw/zinc/42/05/81/351420581.db2.gz QOKHHKYVADTPDD-UHFFFAOYSA-N 2 1 288.391 2.126 20 0 CEADMP C[N@@H+](CCOCC[NH3+])[C@@H]1CCCc2ccc(F)cc21 ZINC000629581199 351421834 /nfs/dbraw/zinc/42/18/34/351421834.db2.gz RDCXOZQMSSOKRD-OAHLLOKOSA-N 2 1 266.360 2.110 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000070170657 363044081 /nfs/dbraw/zinc/04/40/81/363044081.db2.gz FNFFFFNSSGIMTJ-LBPRGKRZSA-N 2 1 295.814 2.339 20 0 CEADMP COc1ccc(CC[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000070174237 363047392 /nfs/dbraw/zinc/04/73/92/363047392.db2.gz CRJCJIYDUMDZRX-ZFWWWQNUSA-N 2 1 262.397 2.297 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000070174519 363048524 /nfs/dbraw/zinc/04/85/24/363048524.db2.gz STBXZJFTRVUSFH-QWHCGFSZSA-N 2 1 266.360 2.264 20 0 CEADMP C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCC1 ZINC000630004229 351582119 /nfs/dbraw/zinc/58/21/19/351582119.db2.gz RBHLTKIOLQZVDB-OAHLLOKOSA-N 2 1 293.455 2.042 20 0 CEADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)C(C)(C)C ZINC000630383160 351717021 /nfs/dbraw/zinc/71/70/21/351717021.db2.gz YNTUXDHOUPTMOT-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000291710635 198066644 /nfs/dbraw/zinc/06/66/44/198066644.db2.gz LFQUPZXMCLOSAV-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C[NH+](C)C ZINC000291710635 198066646 /nfs/dbraw/zinc/06/66/46/198066646.db2.gz LFQUPZXMCLOSAV-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2)CC[N@@H+]1C ZINC000123201701 187077587 /nfs/dbraw/zinc/07/75/87/187077587.db2.gz GWHIMIKKYBEIMK-GOEBONIOSA-N 2 1 289.423 2.430 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2)CC[N@H+]1C ZINC000123201701 187077588 /nfs/dbraw/zinc/07/75/88/187077588.db2.gz GWHIMIKKYBEIMK-GOEBONIOSA-N 2 1 289.423 2.430 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2)CC[NH+]1C ZINC000123201701 187077589 /nfs/dbraw/zinc/07/75/89/187077589.db2.gz GWHIMIKKYBEIMK-GOEBONIOSA-N 2 1 289.423 2.430 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2)CC[NH+]1C ZINC000123201701 187077590 /nfs/dbraw/zinc/07/75/90/187077590.db2.gz GWHIMIKKYBEIMK-GOEBONIOSA-N 2 1 289.423 2.430 20 0 CEADMP Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000123398993 187089233 /nfs/dbraw/zinc/08/92/33/187089233.db2.gz NLXFRGYXNMWYNP-HNNXBMFYSA-N 2 1 262.397 2.495 20 0 CEADMP Cc1cc(C)cc(OCCC[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000123398993 187089234 /nfs/dbraw/zinc/08/92/34/187089234.db2.gz NLXFRGYXNMWYNP-HNNXBMFYSA-N 2 1 262.397 2.495 20 0 CEADMP COc1cncc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1C ZINC000631064415 351945350 /nfs/dbraw/zinc/94/53/50/351945350.db2.gz RXYGNCJQVAUVQN-GFCCVEGCSA-N 2 1 288.395 2.329 20 0 CEADMP C[N@H+]1CC=C(C[NH2+]Cc2ccncc2Br)CC1 ZINC000631107871 351965940 /nfs/dbraw/zinc/96/59/40/351965940.db2.gz ICTWZWIMSXLKQH-UHFFFAOYSA-N 2 1 296.212 2.196 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccncc2Br)CC1 ZINC000631107871 351965945 /nfs/dbraw/zinc/96/59/45/351965945.db2.gz ICTWZWIMSXLKQH-UHFFFAOYSA-N 2 1 296.212 2.196 20 0 CEADMP COc1cncc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000631157427 351990976 /nfs/dbraw/zinc/99/09/76/351990976.db2.gz AOWHNPWCTTYZIW-AWEZNQCLSA-N 2 1 277.412 2.220 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](NC3CC[NH+](C)CC3)C2)cc1 ZINC000631259818 352043264 /nfs/dbraw/zinc/04/32/64/352043264.db2.gz ZAYOMTCIUITERX-GOSISDBHSA-N 2 1 287.451 2.253 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC3CC[NH+](C)CC3)C2)cc1 ZINC000631259818 352043268 /nfs/dbraw/zinc/04/32/68/352043268.db2.gz ZAYOMTCIUITERX-GOSISDBHSA-N 2 1 287.451 2.253 20 0 CEADMP C[NH2+]C1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000336484730 213357273 /nfs/dbraw/zinc/35/72/73/213357273.db2.gz NRNDRZFHANOPTL-UHFFFAOYSA-N 2 1 271.364 2.124 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2c(c1)COCC2 ZINC000631243813 352035520 /nfs/dbraw/zinc/03/55/20/352035520.db2.gz PVRYJGOEYXGUOJ-IAGOWNOFSA-N 2 1 286.419 2.476 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)c1c(F)cccc1F ZINC000271473039 191158897 /nfs/dbraw/zinc/15/88/97/191158897.db2.gz JGOMQQJIPLDRCX-GDBMZVCRSA-N 2 1 298.377 2.461 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC000292073974 198152799 /nfs/dbraw/zinc/15/27/99/198152799.db2.gz DXXVHFJWPPWBCW-SFHVURJKSA-N 2 1 296.418 2.400 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC000292073974 198152800 /nfs/dbraw/zinc/15/28/00/198152800.db2.gz DXXVHFJWPPWBCW-SFHVURJKSA-N 2 1 296.418 2.400 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC000292073974 198152802 /nfs/dbraw/zinc/15/28/02/198152802.db2.gz DXXVHFJWPPWBCW-SFHVURJKSA-N 2 1 296.418 2.400 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCOc3ccccc3)C2)C1 ZINC000292111973 198167907 /nfs/dbraw/zinc/16/79/07/198167907.db2.gz JDNFNGBSKZPZKQ-QGZVFWFLSA-N 2 1 274.408 2.483 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCOc3ccccc3)C2)C1 ZINC000292111973 198167908 /nfs/dbraw/zinc/16/79/08/198167908.db2.gz JDNFNGBSKZPZKQ-QGZVFWFLSA-N 2 1 274.408 2.483 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCOc3ccccc3)C2)C1 ZINC000292111973 198167910 /nfs/dbraw/zinc/16/79/10/198167910.db2.gz JDNFNGBSKZPZKQ-QGZVFWFLSA-N 2 1 274.408 2.483 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncnc1 ZINC000344778731 539910493 /nfs/dbraw/zinc/91/04/93/539910493.db2.gz XFYHGXWBSVPGHD-HOTGVXAUSA-N 2 1 276.428 2.467 20 0 CEADMP COC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000153503332 188086106 /nfs/dbraw/zinc/08/61/06/188086106.db2.gz AUZJBLTVGDJVPJ-LSDHHAIUSA-N 2 1 292.423 2.032 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccccc1O ZINC000154952795 188172664 /nfs/dbraw/zinc/17/26/64/188172664.db2.gz GXOLEKOAEKORBR-UMVBOHGHSA-N 2 1 262.397 2.253 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccccc1O ZINC000154952580 188172996 /nfs/dbraw/zinc/17/29/96/188172996.db2.gz GXOLEKOAEKORBR-NFAWXSAZSA-N 2 1 262.397 2.253 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(NC(C)=O)cc2)CC[C@H]1[NH3+] ZINC000251798707 539991696 /nfs/dbraw/zinc/99/16/96/539991696.db2.gz NZAIILUZQAPSIL-GDBMZVCRSA-N 2 1 275.396 2.204 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000494925014 291005621 /nfs/dbraw/zinc/00/56/21/291005621.db2.gz SGGNXERTPMDLBP-ZNMIVQPWSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494926609 291005771 /nfs/dbraw/zinc/00/57/71/291005771.db2.gz UVPWJIGWGAVJSI-ZIAGYGMSSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494926609 291005773 /nfs/dbraw/zinc/00/57/73/291005773.db2.gz UVPWJIGWGAVJSI-ZIAGYGMSSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H]1CSC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000310206760 291025196 /nfs/dbraw/zinc/02/51/96/291025196.db2.gz CZLIAYUNPSPWMK-WYTNZGFTSA-N 2 1 254.443 2.343 20 0 CEADMP C[C@H]1CSC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000310206760 291025199 /nfs/dbraw/zinc/02/51/99/291025199.db2.gz CZLIAYUNPSPWMK-WYTNZGFTSA-N 2 1 254.443 2.343 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000569738159 299215839 /nfs/dbraw/zinc/21/58/39/299215839.db2.gz ASMWNFYHKJDIOB-HOCLYGCPSA-N 2 1 292.423 2.145 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000569738159 299215842 /nfs/dbraw/zinc/21/58/42/299215842.db2.gz ASMWNFYHKJDIOB-HOCLYGCPSA-N 2 1 292.423 2.145 20 0 CEADMP FC1(F)Oc2cccc(C[NH2+][C@H]3CCC[NH2+]CC3)c2O1 ZINC000666857587 540024314 /nfs/dbraw/zinc/02/43/14/540024314.db2.gz ABJOORRZHXTUGQ-NSHDSACASA-N 2 1 284.306 2.240 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000451589844 283043382 /nfs/dbraw/zinc/04/33/82/283043382.db2.gz AZZWVJFVQZMKQT-GJZGRUSLSA-N 2 1 267.417 2.070 20 0 CEADMP CC[C@H]1CCC[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000569867868 299223984 /nfs/dbraw/zinc/22/39/84/299223984.db2.gz PWLYYOPCYDCMKN-LSDHHAIUSA-N 2 1 268.445 2.392 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)n21 ZINC000336362163 213212821 /nfs/dbraw/zinc/21/28/21/213212821.db2.gz RZZFGZTWGBNGSF-KGLIPLIRSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)n21 ZINC000336362163 213212823 /nfs/dbraw/zinc/21/28/23/213212823.db2.gz RZZFGZTWGBNGSF-KGLIPLIRSA-N 2 1 272.396 2.215 20 0 CEADMP CC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCCOC1 ZINC000402707089 540110438 /nfs/dbraw/zinc/11/04/38/540110438.db2.gz QVZMYXOCPPVIBT-INIZCTEOSA-N 2 1 274.408 2.333 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000573489479 314161972 /nfs/dbraw/zinc/16/19/72/314161972.db2.gz FODLAQTULBCTGP-MRXNPFEDSA-N 3 1 267.461 2.038 20 0 CEADMP CC(C)[N@H+](C)CC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000573489479 314161976 /nfs/dbraw/zinc/16/19/76/314161976.db2.gz FODLAQTULBCTGP-MRXNPFEDSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000573489479 314161978 /nfs/dbraw/zinc/16/19/78/314161978.db2.gz FODLAQTULBCTGP-MRXNPFEDSA-N 2 1 267.461 2.038 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+]C2CCOCC2)[C@@H]1c1ccccc1 ZINC000364303737 283114847 /nfs/dbraw/zinc/11/48/47/283114847.db2.gz OILVXCMUHXJODZ-WBVHZDCISA-N 2 1 274.408 2.448 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000451882532 283133983 /nfs/dbraw/zinc/13/39/83/283133983.db2.gz ADKYVFXLDLBBAT-DZGCQCFKSA-N 2 1 264.417 2.428 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000451882532 283133984 /nfs/dbraw/zinc/13/39/84/283133984.db2.gz ADKYVFXLDLBBAT-DZGCQCFKSA-N 2 1 264.417 2.428 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000385277885 540227627 /nfs/dbraw/zinc/22/76/27/540227627.db2.gz JCLABCRSPZEODM-BARDWOONSA-N 2 1 256.434 2.102 20 0 CEADMP CC(C)OCCOC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000451950433 283149876 /nfs/dbraw/zinc/14/98/76/283149876.db2.gz HFZMNVYZPCGGIE-MRXNPFEDSA-N 2 1 298.471 2.377 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1F ZINC000163892704 540228550 /nfs/dbraw/zinc/22/85/50/540228550.db2.gz JCFZZDHBXHMZSO-AAEUAGOBSA-N 2 1 266.360 2.251 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1F ZINC000163892704 540228552 /nfs/dbraw/zinc/22/85/52/540228552.db2.gz JCFZZDHBXHMZSO-AAEUAGOBSA-N 2 1 266.360 2.251 20 0 CEADMP C[C@]1(C[NH2+]Cc2scnc2C2CC2)CCC[NH2+]C1 ZINC000414905050 540247170 /nfs/dbraw/zinc/24/71/70/540247170.db2.gz LBPSZWPZGMRKBN-AWEZNQCLSA-N 2 1 265.426 2.500 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@@H+](C)CCC[NH3+])cc1 ZINC000414699269 540244792 /nfs/dbraw/zinc/24/47/92/540244792.db2.gz DVMADRAVYLDVQG-CYBMUJFWSA-N 2 1 250.386 2.154 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000338283215 366271677 /nfs/dbraw/zinc/27/16/77/366271677.db2.gz HIWDNFNMJRLWGQ-JKSUJKDBSA-N 2 1 268.445 2.467 20 0 CEADMP C([C@H]1CC[N@H+](CC2CCOCC2)C1)[NH+]1CCCCC1 ZINC000075834244 363490807 /nfs/dbraw/zinc/49/08/07/363490807.db2.gz QPFFCJQTLCFIBI-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(N)=O)cc1 ZINC000075860852 363493891 /nfs/dbraw/zinc/49/38/91/363493891.db2.gz CGBOYNFIJQCLQT-MRXNPFEDSA-N 2 1 289.423 2.092 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C(N)=O)cc1 ZINC000075860852 363493894 /nfs/dbraw/zinc/49/38/94/363493894.db2.gz CGBOYNFIJQCLQT-MRXNPFEDSA-N 2 1 289.423 2.092 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C(N)=O)cc1 ZINC000075860852 363493899 /nfs/dbraw/zinc/49/38/99/363493899.db2.gz CGBOYNFIJQCLQT-MRXNPFEDSA-N 2 1 289.423 2.092 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C(N)=O)cc1 ZINC000075860852 363493903 /nfs/dbraw/zinc/49/39/03/363493903.db2.gz CGBOYNFIJQCLQT-MRXNPFEDSA-N 2 1 289.423 2.092 20 0 CEADMP CCC[N@@H+](CC1CC[NH2+]CC1)C[C@H]1CCCCO1 ZINC000094025460 283195311 /nfs/dbraw/zinc/19/53/11/283195311.db2.gz GHYMEZLOBGSDLF-OAHLLOKOSA-N 2 1 254.418 2.267 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)CC[C@H]2C)CC1 ZINC000076182781 363528181 /nfs/dbraw/zinc/52/81/81/363528181.db2.gz JWDARQDSAXHDLZ-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000452151900 283205220 /nfs/dbraw/zinc/20/52/20/283205220.db2.gz OGQOMYFHUAABGL-WBVHZDCISA-N 2 1 295.471 2.097 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000452174448 283214053 /nfs/dbraw/zinc/21/40/53/283214053.db2.gz QCONRAZUVBZFKH-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP C(C[NH+]1CCCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134934122 366376019 /nfs/dbraw/zinc/37/60/19/366376019.db2.gz HCKGXYDVRKSUJO-AEFFLSMTSA-N 2 1 291.483 2.421 20 0 CEADMP C[C@H]1OCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C ZINC000093417774 538772064 /nfs/dbraw/zinc/77/20/64/538772064.db2.gz GEFMBONFZDRTEC-HUUCEWRRSA-N 2 1 292.423 2.236 20 0 CEADMP C[C@H]1OCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C ZINC000093417774 538772072 /nfs/dbraw/zinc/77/20/72/538772072.db2.gz GEFMBONFZDRTEC-HUUCEWRRSA-N 2 1 292.423 2.236 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C(C)(C)C ZINC000670267263 540261227 /nfs/dbraw/zinc/26/12/27/540261227.db2.gz YGFAAXWGYDKQIR-AWEZNQCLSA-N 2 1 297.487 2.201 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCOCc2ccccc2)C1 ZINC000310015924 540333799 /nfs/dbraw/zinc/33/37/99/540333799.db2.gz NVRXIQPIGHUSIY-INIZCTEOSA-N 2 1 262.397 2.264 20 0 CEADMP Cc1ccc2cc[nH+]c(NC[C@](C)(O)C[NH+](C)C)c2c1 ZINC000570628257 299267831 /nfs/dbraw/zinc/26/78/31/299267831.db2.gz PAZWOLYYMYRNCY-INIZCTEOSA-N 2 1 273.380 2.268 20 0 CEADMP COC(=O)Nc1ccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000496264635 291123375 /nfs/dbraw/zinc/12/33/75/291123375.db2.gz NDLTWKJVDQQRIK-DOMZBBRYSA-N 2 1 291.395 2.138 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000570630415 299268791 /nfs/dbraw/zinc/26/87/91/299268791.db2.gz ICKSMUGKVHCGRJ-KSZLIROESA-N 2 1 290.451 2.300 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000338548140 366408146 /nfs/dbraw/zinc/40/81/46/366408146.db2.gz YFBWDZWFASAHQK-HNNXBMFYSA-N 2 1 296.455 2.384 20 0 CEADMP c1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000414911578 236554067 /nfs/dbraw/zinc/55/40/67/236554067.db2.gz WPMGNMIIZZSTRX-CQSZACIVSA-N 2 1 270.380 2.104 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000578024467 366433947 /nfs/dbraw/zinc/43/39/47/366433947.db2.gz YPPXOHOUVDMOTJ-ZQDZILKHSA-N 2 1 256.434 2.103 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1C[C@@H](O)C1 ZINC000294880196 199228801 /nfs/dbraw/zinc/22/88/01/199228801.db2.gz QBBZKDIELCFGTN-IYBDPMFKSA-N 2 1 276.424 2.258 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000578080253 366440838 /nfs/dbraw/zinc/44/08/38/366440838.db2.gz RECDWXMUYCPNGR-SJORKVTESA-N 2 1 296.430 2.295 20 0 CEADMP Cc1cccc([C@@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c1 ZINC000570920630 299285398 /nfs/dbraw/zinc/28/53/98/299285398.db2.gz SQJZSFOBZZUCGL-CYBMUJFWSA-N 2 1 299.422 2.431 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000578634974 366524478 /nfs/dbraw/zinc/52/44/78/366524478.db2.gz QHEUFAKJLOFKMS-NWDGAFQWSA-N 2 1 294.361 2.011 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000578634974 366524481 /nfs/dbraw/zinc/52/44/81/366524481.db2.gz QHEUFAKJLOFKMS-NWDGAFQWSA-N 2 1 294.361 2.011 20 0 CEADMP c1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667682074 540518599 /nfs/dbraw/zinc/51/85/99/540518599.db2.gz ZNTGYAUHZPJZAL-HUUCEWRRSA-N 2 1 298.390 2.126 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667682074 540518602 /nfs/dbraw/zinc/51/86/02/540518602.db2.gz ZNTGYAUHZPJZAL-HUUCEWRRSA-N 2 1 298.390 2.126 20 0 CEADMP CC[NH+](CC)CCN(CC(C)C)C(=O)Cn1cc[nH+]c1C ZINC000296945207 200042525 /nfs/dbraw/zinc/04/25/25/200042525.db2.gz ACNAJXHERIEJGE-UHFFFAOYSA-N 2 1 294.443 2.018 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccnn1CC1CC1 ZINC000668172500 540577858 /nfs/dbraw/zinc/57/78/58/540577858.db2.gz OXPRLDZOYWNLIR-XJKSGUPXSA-N 2 1 276.428 2.065 20 0 CEADMP Cc1ccnc(C)c1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000297081681 200079728 /nfs/dbraw/zinc/07/97/28/200079728.db2.gz OXYDDGMFYUGXCL-INIZCTEOSA-N 2 1 288.395 2.258 20 0 CEADMP COc1ccc(C2([NH2+]CCn3cc[nH+]c3C)CC2)cc1 ZINC000341704867 216072880 /nfs/dbraw/zinc/07/28/80/216072880.db2.gz NNFXTGHQNHPTCN-UHFFFAOYSA-N 2 1 271.364 2.479 20 0 CEADMP CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)c1ccccc1 ZINC000578783624 366548115 /nfs/dbraw/zinc/54/81/15/366548115.db2.gz CJCPKTYLOUJCNM-HOTGVXAUSA-N 2 1 264.413 2.430 20 0 CEADMP CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000578783624 366548120 /nfs/dbraw/zinc/54/81/20/366548120.db2.gz CJCPKTYLOUJCNM-HOTGVXAUSA-N 2 1 264.413 2.430 20 0 CEADMP CCO[C@@H]1C[C@H]([N@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000579022572 366583336 /nfs/dbraw/zinc/58/33/36/366583336.db2.gz FPNFBPHKQLMAGJ-LSDHHAIUSA-N 2 1 279.428 2.488 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCCc2c[nH+]cn2C)C1(C)C ZINC000579022572 366583343 /nfs/dbraw/zinc/58/33/43/366583343.db2.gz FPNFBPHKQLMAGJ-LSDHHAIUSA-N 2 1 279.428 2.488 20 0 CEADMP Clc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cn1 ZINC000297574894 200231158 /nfs/dbraw/zinc/23/11/58/200231158.db2.gz IACGIXJAVKLTLO-UHFFFAOYSA-N 2 1 279.815 2.494 20 0 CEADMP C[C@@H]1C[C@H](NCC[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000151026590 366613776 /nfs/dbraw/zinc/61/37/76/366613776.db2.gz QZOJRYTXNBMMHF-NVXWUHKLSA-N 2 1 275.440 2.191 20 0 CEADMP C[C@@H]1C[C@H](NCC[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000151026590 366613780 /nfs/dbraw/zinc/61/37/80/366613780.db2.gz QZOJRYTXNBMMHF-NVXWUHKLSA-N 2 1 275.440 2.191 20 0 CEADMP C[C@@H]1C[C@H](NCC[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000151026590 366613782 /nfs/dbraw/zinc/61/37/82/366613782.db2.gz QZOJRYTXNBMMHF-NVXWUHKLSA-N 2 1 275.440 2.191 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000151026590 366613784 /nfs/dbraw/zinc/61/37/84/366613784.db2.gz QZOJRYTXNBMMHF-NVXWUHKLSA-N 2 1 275.440 2.191 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCN(C)Cc2ccccc2)CC[N@H+]1C ZINC000151026590 366613788 /nfs/dbraw/zinc/61/37/88/366613788.db2.gz QZOJRYTXNBMMHF-NVXWUHKLSA-N 2 1 275.440 2.191 20 0 CEADMP c1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150755923 366595342 /nfs/dbraw/zinc/59/53/42/366595342.db2.gz QXUXVZLDWQFNON-MRXNPFEDSA-N 2 1 274.408 2.483 20 0 CEADMP c1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150755923 366595347 /nfs/dbraw/zinc/59/53/47/366595347.db2.gz QXUXVZLDWQFNON-MRXNPFEDSA-N 2 1 274.408 2.483 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000579229380 366612773 /nfs/dbraw/zinc/61/27/73/366612773.db2.gz VFWKJOVTCXGVDD-RVKKMQEKSA-N 2 1 288.435 2.391 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000339068607 366637779 /nfs/dbraw/zinc/63/77/79/366637779.db2.gz LHMIKLPUFLUPNQ-KGLIPLIRSA-N 2 1 292.427 2.342 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCC(O)CC1 ZINC000453268630 283515994 /nfs/dbraw/zinc/51/59/94/283515994.db2.gz ZSOGEBRMGFKJFU-PCKAHOCUSA-N 2 1 268.445 2.390 20 0 CEADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000298230018 200366719 /nfs/dbraw/zinc/36/67/19/200366719.db2.gz YLWNGCONAXMXTC-GOEBONIOSA-N 2 1 292.423 2.193 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H](CC)[C@H](O)C(F)(F)F)CC1 ZINC000341882489 216137521 /nfs/dbraw/zinc/13/75/21/216137521.db2.gz TVDBYDJTQORMHR-RYUDHWBXSA-N 2 1 282.350 2.152 20 0 CEADMP CC[NH+]1CCC(CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000571464844 299311942 /nfs/dbraw/zinc/31/19/42/299311942.db2.gz KXKPINPYWQWTTH-ZNMIVQPWSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(CO)c(F)c1 ZINC000178563248 189127282 /nfs/dbraw/zinc/12/72/82/189127282.db2.gz FASULPLQVVUSBO-BFQNTYOBSA-N 2 1 280.387 2.136 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(CO)c(F)c1 ZINC000178563248 189127283 /nfs/dbraw/zinc/12/72/83/189127283.db2.gz FASULPLQVVUSBO-BFQNTYOBSA-N 2 1 280.387 2.136 20 0 CEADMP COC(C)(C)C[NH+](C)C/C=C/C[N@H+](C)CC(C)(C)OC ZINC000675199924 540813678 /nfs/dbraw/zinc/81/36/78/540813678.db2.gz LYHOEBLUPCBYMI-MDZDMXLPSA-N 2 1 286.460 2.256 20 0 CEADMP [NH3+]C1(C[NH2+]CCOc2ccc(Br)cc2)CCC1 ZINC000342135765 216231567 /nfs/dbraw/zinc/23/15/67/216231567.db2.gz QDTLJRJWCBOJNH-UHFFFAOYSA-N 2 1 299.212 2.299 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000111696072 296024836 /nfs/dbraw/zinc/02/48/36/296024836.db2.gz SPZMXMDGXAGRBX-GHMZBOCLSA-N 2 1 268.323 2.015 20 0 CEADMP C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000675748278 540871062 /nfs/dbraw/zinc/87/10/62/540871062.db2.gz VGFSBNZWGCWXMW-BZUAXINKSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000675748278 540871065 /nfs/dbraw/zinc/87/10/65/540871065.db2.gz VGFSBNZWGCWXMW-BZUAXINKSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCc2ccc(O)cc2)CC[N@H+]1C ZINC000675891309 540879982 /nfs/dbraw/zinc/87/99/82/540879982.db2.gz NWXRKTSYQYZKRT-DZGCQCFKSA-N 2 1 262.397 2.397 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000677818294 541046429 /nfs/dbraw/zinc/04/64/29/541046429.db2.gz YMMRTONWMXDVFK-HNNXBMFYSA-N 2 1 273.384 2.115 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000677818294 541046432 /nfs/dbraw/zinc/04/64/32/541046432.db2.gz YMMRTONWMXDVFK-HNNXBMFYSA-N 2 1 273.384 2.115 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1c(C)ccnc1C ZINC000579923367 366723251 /nfs/dbraw/zinc/72/32/51/366723251.db2.gz PSQWTSMYZYYCBB-CYBMUJFWSA-N 2 1 276.384 2.256 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000579953486 366728764 /nfs/dbraw/zinc/72/87/64/366728764.db2.gz INMXWJGBQZWTHK-QGZVFWFLSA-N 2 1 274.408 2.449 20 0 CEADMP COC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000342339842 216315644 /nfs/dbraw/zinc/31/56/44/216315644.db2.gz ICSDVUMRXJQRDM-OAHLLOKOSA-N 2 1 277.343 2.308 20 0 CEADMP Cc1nccn1CC[N@H+]1CCOc2ccccc2C1 ZINC000677980737 541064156 /nfs/dbraw/zinc/06/41/56/541064156.db2.gz HIOUASQOSZRNAY-UHFFFAOYSA-N 2 1 257.337 2.086 20 0 CEADMP Cc1nccn1CCN1CCOc2ccccc2C1 ZINC000677980737 541064159 /nfs/dbraw/zinc/06/41/59/541064159.db2.gz HIOUASQOSZRNAY-UHFFFAOYSA-N 2 1 257.337 2.086 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(OC)cc1 ZINC000154261017 366765804 /nfs/dbraw/zinc/76/58/04/366765804.db2.gz OTUFSAJCSWCUAY-GDBMZVCRSA-N 2 1 280.412 2.049 20 0 CEADMP Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1C ZINC000154381011 366769845 /nfs/dbraw/zinc/76/98/45/366769845.db2.gz UJSDQCRVXCBXQW-GJZGRUSLSA-N 2 1 264.413 2.185 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCN(C)c1ccccc1 ZINC000154370169 366771074 /nfs/dbraw/zinc/77/10/74/366771074.db2.gz CBNXHELSCVONIX-WBVHZDCISA-N 2 1 275.440 2.443 20 0 CEADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cncs2)CC1 ZINC000154476764 366775240 /nfs/dbraw/zinc/77/52/40/366775240.db2.gz KCSRGQLYGAEVHJ-AWEZNQCLSA-N 2 1 296.484 2.211 20 0 CEADMP OCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581547997 366792462 /nfs/dbraw/zinc/79/24/62/366792462.db2.gz KFWZBKXQQLFCKJ-MRXNPFEDSA-N 2 1 274.408 2.156 20 0 CEADMP OCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581547997 366792468 /nfs/dbraw/zinc/79/24/68/366792468.db2.gz KFWZBKXQQLFCKJ-MRXNPFEDSA-N 2 1 274.408 2.156 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000340190450 366797505 /nfs/dbraw/zinc/79/75/05/366797505.db2.gz GBYQZYKYEMHNKJ-OCCSQVGLSA-N 2 1 251.374 2.129 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CCC[C@H](CCO)C1 ZINC000678075587 541077473 /nfs/dbraw/zinc/07/74/73/541077473.db2.gz LLHXIKFNMLCSQO-OAHLLOKOSA-N 2 1 265.401 2.066 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](CCO)C1 ZINC000678075587 541077474 /nfs/dbraw/zinc/07/74/74/541077474.db2.gz LLHXIKFNMLCSQO-OAHLLOKOSA-N 2 1 265.401 2.066 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](CCO)C1 ZINC000678075587 541077476 /nfs/dbraw/zinc/07/74/76/541077476.db2.gz LLHXIKFNMLCSQO-OAHLLOKOSA-N 2 1 265.401 2.066 20 0 CEADMP C[NH+](C)CCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000019958182 361569945 /nfs/dbraw/zinc/56/99/45/361569945.db2.gz XOMWFRYCJRSVRO-UHFFFAOYSA-N 2 1 275.440 2.192 20 0 CEADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000571843116 299331060 /nfs/dbraw/zinc/33/10/60/299331060.db2.gz RUORKKVPRKHCRN-MWQQHZPXSA-N 2 1 282.472 2.492 20 0 CEADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000571843116 299331062 /nfs/dbraw/zinc/33/10/62/299331062.db2.gz RUORKKVPRKHCRN-MWQQHZPXSA-N 2 1 282.472 2.492 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000678343674 541119544 /nfs/dbraw/zinc/11/95/44/541119544.db2.gz WUPOOUXTTDQWRG-GJZGRUSLSA-N 2 1 282.391 2.036 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](C)CO)CC1)CC1CC1 ZINC000678469803 541138650 /nfs/dbraw/zinc/13/86/50/541138650.db2.gz LPQAGRCOGTVTEV-OAHLLOKOSA-N 2 1 282.472 2.449 20 0 CEADMP c1ccc(OCCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031994795 361724549 /nfs/dbraw/zinc/72/45/49/361724549.db2.gz SXXVKGNGTXIVPG-MRXNPFEDSA-N 2 1 260.381 2.141 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@H]1CNc1cc[nH+]cc1C(N)=O ZINC000302145574 201365803 /nfs/dbraw/zinc/36/58/03/201365803.db2.gz JBAZMKZHXPLOOW-ZDUSSCGKSA-N 2 1 290.411 2.103 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1CNc1cc[nH+]cc1C(N)=O ZINC000302145574 201365806 /nfs/dbraw/zinc/36/58/06/201365806.db2.gz JBAZMKZHXPLOOW-ZDUSSCGKSA-N 2 1 290.411 2.103 20 0 CEADMP C[NH+](C)[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)C1CC1 ZINC000679729848 541314305 /nfs/dbraw/zinc/31/43/05/541314305.db2.gz OZEXSNHFTXAWSK-AWEZNQCLSA-N 2 1 294.468 2.042 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)CC1 ZINC000093132824 364143120 /nfs/dbraw/zinc/14/31/20/364143120.db2.gz JSUUSIRUQZHTJC-OAHLLOKOSA-N 2 1 293.480 2.268 20 0 CEADMP CO[C@@](C)(C[NH2+]C1CC[NH+](CCOC(C)C)CC1)C1CC1 ZINC000638730212 370716167 /nfs/dbraw/zinc/71/61/67/370716167.db2.gz VKRBRRRNLJRGDN-KRWDZBQOSA-N 2 1 298.471 2.281 20 0 CEADMP Cn1cccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564148 364200616 /nfs/dbraw/zinc/20/06/16/364200616.db2.gz MOFDVZJGFLLEDS-OAHLLOKOSA-N 2 1 261.413 2.475 20 0 CEADMP Cn1cccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564148 364200617 /nfs/dbraw/zinc/20/06/17/364200617.db2.gz MOFDVZJGFLLEDS-OAHLLOKOSA-N 2 1 261.413 2.475 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cncn1C ZINC000237672213 370744157 /nfs/dbraw/zinc/74/41/57/370744157.db2.gz GGOONRBIFGPNFD-CQSZACIVSA-N 2 1 264.417 2.164 20 0 CEADMP C[C@@H](C[NH2+]Cc1cc(C(N)=O)cs1)C[NH+]1CCCCC1 ZINC000093687484 364216186 /nfs/dbraw/zinc/21/61/86/364216186.db2.gz ULERYMPONOEYRK-LBPRGKRZSA-N 2 1 295.452 2.059 20 0 CEADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000094010613 364246909 /nfs/dbraw/zinc/24/69/09/364246909.db2.gz QFEKVABVLHMWSV-SFHVURJKSA-N 2 1 287.451 2.192 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000356613680 370774333 /nfs/dbraw/zinc/77/43/33/370774333.db2.gz GJKMSXCTZLQOKW-CAOSSQGBSA-N 2 1 297.487 2.484 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000356613680 370774335 /nfs/dbraw/zinc/77/43/35/370774335.db2.gz GJKMSXCTZLQOKW-CAOSSQGBSA-N 2 1 297.487 2.484 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000356613680 370774339 /nfs/dbraw/zinc/77/43/39/370774339.db2.gz GJKMSXCTZLQOKW-CAOSSQGBSA-N 2 1 297.487 2.484 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)oc1C ZINC000334979373 364303107 /nfs/dbraw/zinc/30/31/07/364303107.db2.gz FRQDPCJCJGSYAU-KBPBESRZSA-N 2 1 263.385 2.113 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)oc1C ZINC000334979374 364303782 /nfs/dbraw/zinc/30/37/82/364303782.db2.gz FRQDPCJCJGSYAU-KGLIPLIRSA-N 2 1 263.385 2.113 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)oc1C ZINC000334979375 364304052 /nfs/dbraw/zinc/30/40/52/364304052.db2.gz FRQDPCJCJGSYAU-UONOGXRCSA-N 2 1 263.385 2.113 20 0 CEADMP CCCC[NH+](C)CC1(C[N@H+](C)CCCC)COC1 ZINC000157332811 366842028 /nfs/dbraw/zinc/84/20/28/366842028.db2.gz JRLMIZGGKPXENQ-UHFFFAOYSA-N 2 1 256.434 2.467 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000581981833 366844424 /nfs/dbraw/zinc/84/44/24/366844424.db2.gz YIVZZZCRWSVNAF-OAHLLOKOSA-N 2 1 264.413 2.132 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000581981833 366844428 /nfs/dbraw/zinc/84/44/28/366844428.db2.gz YIVZZZCRWSVNAF-OAHLLOKOSA-N 2 1 264.413 2.132 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000158480896 366856614 /nfs/dbraw/zinc/85/66/14/366856614.db2.gz KDCQOSJYMCKZRY-QWHCGFSZSA-N 2 1 278.444 2.277 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000335220550 364645463 /nfs/dbraw/zinc/64/54/63/364645463.db2.gz VHSGLJWXQARXEK-HZMBPMFUSA-N 2 1 254.324 2.443 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000104149640 364681618 /nfs/dbraw/zinc/68/16/18/364681618.db2.gz SBQNBLZTMHSGPC-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000104149640 364681620 /nfs/dbraw/zinc/68/16/20/364681620.db2.gz SBQNBLZTMHSGPC-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000104149640 364681624 /nfs/dbraw/zinc/68/16/24/364681624.db2.gz SBQNBLZTMHSGPC-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CC[N@H+](CCCOCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000111679878 364752259 /nfs/dbraw/zinc/75/22/59/364752259.db2.gz XZKGRWLBQOBUJD-MNOVXSKESA-N 2 1 268.323 2.015 20 0 CEADMP C[C@@H]1CC[N@@H+](CCCOCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000111679878 364752263 /nfs/dbraw/zinc/75/22/63/364752263.db2.gz XZKGRWLBQOBUJD-MNOVXSKESA-N 2 1 268.323 2.015 20 0 CEADMP Cc1ccn2c(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cnc2c1 ZINC000335631944 212344639 /nfs/dbraw/zinc/34/46/39/212344639.db2.gz DEKDFTJQCXSODG-HZPDHXFCSA-N 2 1 298.434 2.464 20 0 CEADMP CC[N@H+]1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H]1C ZINC000680330039 541392457 /nfs/dbraw/zinc/39/24/57/541392457.db2.gz MMUDEZJHZICPKX-AWEZNQCLSA-N 2 1 299.422 2.102 20 0 CEADMP c1csc([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000335865985 365089955 /nfs/dbraw/zinc/08/99/55/365089955.db2.gz DAMCPRNCXUJNJM-QWHCGFSZSA-N 2 1 265.426 2.322 20 0 CEADMP CC[N@@H+](CC(=O)Nc1ccccc1CC[NH+](C)C)C1CC1 ZINC000275602058 193083994 /nfs/dbraw/zinc/08/39/94/193083994.db2.gz GZXTZMZFTXAOSW-UHFFFAOYSA-N 2 1 289.423 2.214 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)CC[C@H]1[NH3+] ZINC000336055896 365348336 /nfs/dbraw/zinc/34/83/36/365348336.db2.gz YWYPKTHIPCLWBJ-CZUORRHYSA-N 2 1 270.380 2.041 20 0 CEADMP C[N@@H+](Cc1ccc(-n2ccnc2)nc1)[C@H]1CCSC1 ZINC000119955321 365351220 /nfs/dbraw/zinc/35/12/20/365351220.db2.gz NOMUDTXNGUUMHB-ZDUSSCGKSA-N 2 1 274.393 2.205 20 0 CEADMP COC(=O)c1csc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000582257051 366886646 /nfs/dbraw/zinc/88/66/46/366886646.db2.gz FXTJGAGWXNZGOY-SNVBAGLBSA-N 2 1 293.392 2.162 20 0 CEADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccn1 ZINC000159012541 366869250 /nfs/dbraw/zinc/86/92/50/366869250.db2.gz IUGGRRLQIMJLLQ-OAHLLOKOSA-N 2 1 290.455 2.006 20 0 CEADMP C[C@H]1C[C@H](CN2CCC3(CCC[N@H+]3C)CC2)CCO1 ZINC000336092751 365397274 /nfs/dbraw/zinc/39/72/74/365397274.db2.gz JHMGPSNQSJSVAQ-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]1C[C@H](C[NH+]2CCC3(CCC[N@@H+]3C)CC2)CCO1 ZINC000336092751 365397280 /nfs/dbraw/zinc/39/72/80/365397280.db2.gz JHMGPSNQSJSVAQ-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]1C[C@H](C[NH+]2CCC3(CCC[N@H+]3C)CC2)CCO1 ZINC000336092751 365397285 /nfs/dbraw/zinc/39/72/85/365397285.db2.gz JHMGPSNQSJSVAQ-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1C[C@H](CN2CCC3(CCC[N@H+]3C)CC2)CCO1 ZINC000336092750 365397628 /nfs/dbraw/zinc/39/76/28/365397628.db2.gz JHMGPSNQSJSVAQ-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CCC3(CCC[N@@H+]3C)CC2)CCO1 ZINC000336092750 365397633 /nfs/dbraw/zinc/39/76/33/365397633.db2.gz JHMGPSNQSJSVAQ-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CCC3(CCC[N@H+]3C)CC2)CCO1 ZINC000336092750 365397636 /nfs/dbraw/zinc/39/76/36/365397636.db2.gz JHMGPSNQSJSVAQ-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP Cc1cnccc1NC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000120303082 365403989 /nfs/dbraw/zinc/40/39/89/365403989.db2.gz GLYHUKANMCHVDN-CYBMUJFWSA-N 2 1 288.351 2.407 20 0 CEADMP CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000120295954 365404323 /nfs/dbraw/zinc/40/43/23/365404323.db2.gz HMGNZWJLMDOBGJ-MRXNPFEDSA-N 2 1 299.374 2.400 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccncc1 ZINC000275732409 193114489 /nfs/dbraw/zinc/11/44/89/193114489.db2.gz ZYSFSZIPAIENEH-OLZOCXBDSA-N 2 1 256.353 2.191 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CC2)[C@@H](C)C1 ZINC000340487009 366903977 /nfs/dbraw/zinc/90/39/77/366903977.db2.gz JYYMNCSHXXRWBA-BHYGNILZSA-N 2 1 298.471 2.138 20 0 CEADMP CCOC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000340467180 366895482 /nfs/dbraw/zinc/89/54/82/366895482.db2.gz VBUDOKVRGJAARJ-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP [NH3+]Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000582667046 366941632 /nfs/dbraw/zinc/94/16/32/366941632.db2.gz VDBYYIRHZGQSFH-SJORKVTESA-N 3 1 267.376 2.380 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](CO)C1CCCCC1 ZINC000340485079 366904841 /nfs/dbraw/zinc/90/48/41/366904841.db2.gz QNYNRYGVROXXTK-FVQBIDKESA-N 2 1 268.445 2.105 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000340487137 366905004 /nfs/dbraw/zinc/90/50/04/366905004.db2.gz YHXLGCIJLWYTIO-TXCZRRACSA-N 2 1 282.472 2.494 20 0 CEADMP CCOc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1F ZINC000582736007 366951400 /nfs/dbraw/zinc/95/14/00/366951400.db2.gz RHLUNBLFZSBMRI-UHFFFAOYSA-N 2 1 266.360 2.410 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000583078120 366997074 /nfs/dbraw/zinc/99/70/74/366997074.db2.gz MNVFPWVCJWULJR-GOEBONIOSA-N 2 1 273.424 2.260 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000582972432 366984996 /nfs/dbraw/zinc/98/49/96/366984996.db2.gz JJRPBTDPQPAPSF-JQHSSLGASA-N 2 1 290.451 2.485 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000582972432 366985000 /nfs/dbraw/zinc/98/50/00/366985000.db2.gz JJRPBTDPQPAPSF-JQHSSLGASA-N 2 1 290.451 2.485 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000582972432 366985005 /nfs/dbraw/zinc/98/50/05/366985005.db2.gz JJRPBTDPQPAPSF-JQHSSLGASA-N 2 1 290.451 2.485 20 0 CEADMP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1c[nH+]ccc1N ZINC000583032499 366991569 /nfs/dbraw/zinc/99/15/69/366991569.db2.gz PPCMJFJWLVLVGO-LBPRGKRZSA-N 3 1 274.412 2.019 20 0 CEADMP COCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000583051460 366993614 /nfs/dbraw/zinc/99/36/14/366993614.db2.gz QGDFNIWKKUPTFK-AWEZNQCLSA-N 2 1 282.453 2.457 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000583740433 367090007 /nfs/dbraw/zinc/09/00/07/367090007.db2.gz GQSPGDOTPABJBS-WBVHZDCISA-N 3 1 281.488 2.427 20 0 CEADMP CC[NH+](CC)[C@@H](C)CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000357457830 370819141 /nfs/dbraw/zinc/81/91/41/370819141.db2.gz PQLPTXAJWJCCJR-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H](CC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)n1ccnc1 ZINC000584355062 367149258 /nfs/dbraw/zinc/14/92/58/367149258.db2.gz JLLRRMNNSGLECU-QLFBSQMISA-N 2 1 292.427 2.213 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000245442682 370821506 /nfs/dbraw/zinc/82/15/06/370821506.db2.gz IENMUWWLHHITCV-ROUUACIJSA-N 2 1 290.451 2.254 20 0 CEADMP Cc1nc([C@H](C)N2CCC(C[N@@H+](C)C(C)C)CC2)n[nH]1 ZINC000584396905 367152022 /nfs/dbraw/zinc/15/20/22/367152022.db2.gz OPLUCCPKORRWDY-LBPRGKRZSA-N 2 1 279.432 2.226 20 0 CEADMP Cc1nc([C@H](C)N2CCC(C[N@H+](C)C(C)C)CC2)n[nH]1 ZINC000584396905 367152029 /nfs/dbraw/zinc/15/20/29/367152029.db2.gz OPLUCCPKORRWDY-LBPRGKRZSA-N 2 1 279.432 2.226 20 0 CEADMP Cc1nnc([C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)[nH]1 ZINC000584396905 367152032 /nfs/dbraw/zinc/15/20/32/367152032.db2.gz OPLUCCPKORRWDY-LBPRGKRZSA-N 2 1 279.432 2.226 20 0 CEADMP Cc1nnc([C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)[nH]1 ZINC000584396905 367152038 /nfs/dbraw/zinc/15/20/38/367152038.db2.gz OPLUCCPKORRWDY-LBPRGKRZSA-N 2 1 279.432 2.226 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(-c3ccncc3)c2)CCCO1 ZINC000584517540 367168495 /nfs/dbraw/zinc/16/84/95/367168495.db2.gz RCKWVHKBSQRUPW-SFHVURJKSA-N 2 1 297.402 2.298 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1OC ZINC000163407843 367237245 /nfs/dbraw/zinc/23/72/45/367237245.db2.gz CSUPFAOWDSJYAH-OCCSQVGLSA-N 2 1 278.396 2.121 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1OC ZINC000163407843 367237249 /nfs/dbraw/zinc/23/72/49/367237249.db2.gz CSUPFAOWDSJYAH-OCCSQVGLSA-N 2 1 278.396 2.121 20 0 CEADMP CCc1noc(CC)c1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000166930452 367331817 /nfs/dbraw/zinc/33/18/17/367331817.db2.gz WORGLLHXEDRHIZ-NEPJUHHUSA-N 2 1 265.401 2.372 20 0 CEADMP C[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000164568276 367290277 /nfs/dbraw/zinc/29/02/77/367290277.db2.gz OVUPPUOECPPSDM-OLZOCXBDSA-N 2 1 275.396 2.347 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)C1CCOCC1 ZINC000164713034 367293815 /nfs/dbraw/zinc/29/38/15/367293815.db2.gz JXANPCLZVLBASX-ZDUSSCGKSA-N 2 1 265.401 2.376 20 0 CEADMP CC(C)[NH2+]CCC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000166065143 367318450 /nfs/dbraw/zinc/31/84/50/367318450.db2.gz WPQSUGYUUFCBIT-CQSZACIVSA-N 2 1 283.460 2.001 20 0 CEADMP CN(CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000342101505 367384823 /nfs/dbraw/zinc/38/48/23/367384823.db2.gz LBIYGOKRQWWHSX-USXIJHARSA-N 2 1 273.424 2.182 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631569360 367407670 /nfs/dbraw/zinc/40/76/70/367407670.db2.gz INLOKUUZLMHSDQ-XJKSGUPXSA-N 2 1 259.397 2.390 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631576950 367413009 /nfs/dbraw/zinc/41/30/09/367413009.db2.gz DUVVHLBUAHPEFT-QPSCCSFWSA-N 2 1 266.429 2.264 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000631579029 367415881 /nfs/dbraw/zinc/41/58/81/367415881.db2.gz CTZXYVVAOHAFTD-JKSUJKDBSA-N 2 1 266.429 2.408 20 0 CEADMP COC[C@@H]1CCCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000342562423 367423368 /nfs/dbraw/zinc/42/33/68/367423368.db2.gz CKRASFUBSURROP-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@@H]1CCCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000342562423 367423373 /nfs/dbraw/zinc/42/33/73/367423373.db2.gz CKRASFUBSURROP-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP COCc1cnc(C[NH+]2CCC(C[NH+](C)C)CC2)s1 ZINC000342679766 367481194 /nfs/dbraw/zinc/48/11/94/367481194.db2.gz FXKIHSMOGHQUPS-UHFFFAOYSA-N 2 1 283.441 2.063 20 0 CEADMP FC1(F)CC[C@@H](C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000631827374 367565435 /nfs/dbraw/zinc/56/54/35/367565435.db2.gz NDMKLLVBXWELGH-OLZOCXBDSA-N 2 1 258.356 2.497 20 0 CEADMP c1[nH]nc2cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc12 ZINC000342806310 367548075 /nfs/dbraw/zinc/54/80/75/367548075.db2.gz PIOKSEQTVHYKJJ-HZPDHXFCSA-N 2 1 284.407 2.322 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc3c2CCOC3)CC[C@@H]1[NH3+] ZINC000631824886 367562897 /nfs/dbraw/zinc/56/28/97/367562897.db2.gz TTZPLKBZJQGTTA-GUYCJALGSA-N 2 1 274.408 2.319 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccc3c1CCOC3)C2 ZINC000631830663 367568958 /nfs/dbraw/zinc/56/89/58/367568958.db2.gz YLYLKIFUVDBVJD-HDICACEKSA-N 2 1 286.419 2.191 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cccc3c1CCOC3)C2 ZINC000631830663 367568961 /nfs/dbraw/zinc/56/89/61/367568961.db2.gz YLYLKIFUVDBVJD-HDICACEKSA-N 2 1 286.419 2.191 20 0 CEADMP C[C@@H]1C[N@@H+](CCCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000631837040 367577557 /nfs/dbraw/zinc/57/75/57/367577557.db2.gz LXZDQDYZVCQWOH-VXGBXAGGSA-N 2 1 268.351 2.424 20 0 CEADMP C[C@@H]1C[N@H+](Cc2nc3ccccc3s2)C[C@H]1C[NH3+] ZINC000631838272 367577621 /nfs/dbraw/zinc/57/76/21/367577621.db2.gz LJHIRDQQAOKYMX-GHMZBOCLSA-N 2 1 261.394 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc3ccccc3s2)C[C@H]1C[NH3+] ZINC000631838272 367577624 /nfs/dbraw/zinc/57/76/24/367577624.db2.gz LJHIRDQQAOKYMX-GHMZBOCLSA-N 2 1 261.394 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](CCO[C@@H]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000631840620 367580533 /nfs/dbraw/zinc/58/05/33/367580533.db2.gz DDLJXWKASWUMGB-GBJTYRQASA-N 2 1 254.418 2.108 20 0 CEADMP C[C@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000631842917 367582540 /nfs/dbraw/zinc/58/25/40/367582540.db2.gz HIZOTWLHYULNID-GXTWGEPZSA-N 2 1 271.364 2.368 20 0 CEADMP C[C@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000631842917 367582545 /nfs/dbraw/zinc/58/25/45/367582545.db2.gz HIZOTWLHYULNID-GXTWGEPZSA-N 2 1 271.364 2.368 20 0 CEADMP COc1cccc(CC2CC[NH+](C[C@@H](C)[NH3+])CC2)c1 ZINC000631836287 367575297 /nfs/dbraw/zinc/57/52/97/367575297.db2.gz SPNFYDWYRFECKS-CYBMUJFWSA-N 2 1 262.397 2.297 20 0 CEADMP CCOC(=O)C[N@H+](CCCn1cc[nH+]c1C)C1CCCC1 ZINC000342860455 367575620 /nfs/dbraw/zinc/57/56/20/367575620.db2.gz OMRRCUDNIPARQS-UHFFFAOYSA-N 2 1 293.411 2.389 20 0 CEADMP CCOC(=O)C[N@@H+](CCCn1cc[nH+]c1C)C1CCCC1 ZINC000342860455 367575625 /nfs/dbraw/zinc/57/56/25/367575625.db2.gz OMRRCUDNIPARQS-UHFFFAOYSA-N 2 1 293.411 2.389 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000342993841 367623832 /nfs/dbraw/zinc/62/38/32/367623832.db2.gz XTOUHSTYDSVNEK-CJNGLKHVSA-N 2 1 289.423 2.193 20 0 CEADMP COCc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631889238 367611233 /nfs/dbraw/zinc/61/12/33/367611233.db2.gz DSEZVCYCJPUAJH-DLBZAZTESA-N 2 1 274.408 2.407 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889292 367611320 /nfs/dbraw/zinc/61/13/20/367611320.db2.gz HUPUYLRLPLRBPQ-STQMWFEESA-N 2 1 265.426 2.068 20 0 CEADMP OCC[N@@H+](CCC[NH+]1CCCCC1)CCc1ccccc1 ZINC000682028452 541620713 /nfs/dbraw/zinc/62/07/13/541620713.db2.gz MSAJTPVWVLFOIE-UHFFFAOYSA-N 2 1 290.451 2.399 20 0 CEADMP C[N@H+](CCCO)C1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000682069245 541626033 /nfs/dbraw/zinc/62/60/33/541626033.db2.gz DJVONBRHMKKZJP-GOSISDBHSA-N 2 1 288.435 2.453 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000682069245 541626037 /nfs/dbraw/zinc/62/60/37/541626037.db2.gz DJVONBRHMKKZJP-GOSISDBHSA-N 2 1 288.435 2.453 20 0 CEADMP CCO[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C(C)C ZINC000343249828 367725528 /nfs/dbraw/zinc/72/55/28/367725528.db2.gz FNUYBNNBSHDCIN-QBPKDAKJSA-N 2 1 298.471 2.184 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCOC1 ZINC000358041416 370880958 /nfs/dbraw/zinc/88/09/58/370880958.db2.gz CWSHXBKCTBFUJJ-TWMKSMIVSA-N 2 1 298.471 2.281 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCCC[C@H]1C ZINC000245931690 370889748 /nfs/dbraw/zinc/88/97/48/370889748.db2.gz YWAPDPFIXKSRCC-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000245931690 370889752 /nfs/dbraw/zinc/88/97/52/370889752.db2.gz YWAPDPFIXKSRCC-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000245931690 370889757 /nfs/dbraw/zinc/88/97/57/370889757.db2.gz YWAPDPFIXKSRCC-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP COC[C@H](CC(C)C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000358078089 370894654 /nfs/dbraw/zinc/89/46/54/370894654.db2.gz DIJIOZPYTWCRBS-HIFRSBDPSA-N 2 1 267.417 2.478 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)Cc1ccccc1 ZINC000173641453 367929710 /nfs/dbraw/zinc/92/97/10/367929710.db2.gz JWBUOJADTOSNLW-QZTJIDSGSA-N 2 1 290.451 2.396 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000343582170 367897800 /nfs/dbraw/zinc/89/78/00/367897800.db2.gz XXAMCTOOJFCWKG-KBMXLJTQSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000343582170 367897805 /nfs/dbraw/zinc/89/78/05/367897805.db2.gz XXAMCTOOJFCWKG-KBMXLJTQSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCn2cccn2)C1 ZINC000245992218 370897431 /nfs/dbraw/zinc/89/74/31/370897431.db2.gz QWJKOHYVCCSHDG-HZPDHXFCSA-N 2 1 278.444 2.372 20 0 CEADMP CC[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)[NH+](CC)CC ZINC000344213097 368115218 /nfs/dbraw/zinc/11/52/18/368115218.db2.gz DKSRCMYMNRUUEJ-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCOc1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000345138172 368165832 /nfs/dbraw/zinc/16/58/32/368165832.db2.gz HEFITDZNNSISTI-UHFFFAOYSA-N 2 1 260.381 2.437 20 0 CEADMP COc1cc(C)c(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000345173765 368180254 /nfs/dbraw/zinc/18/02/54/368180254.db2.gz MQIGRCVMGGPWRE-UHFFFAOYSA-N 2 1 290.407 2.364 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccoc2)CC1 ZINC000178005811 368284830 /nfs/dbraw/zinc/28/48/30/368284830.db2.gz MAFLCPKDMFGNRN-OAHLLOKOSA-N 2 1 279.428 2.348 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@H](C)C1 ZINC000178431039 368299322 /nfs/dbraw/zinc/29/93/22/368299322.db2.gz YQKFSDKLOKOERM-MCIONIFRSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000335490531 212166853 /nfs/dbraw/zinc/16/68/53/212166853.db2.gz FMUSYYZUAZBOCI-BXUZGUMPSA-N 2 1 292.814 2.465 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ncccc2Cl)CC[N@@H+]1C ZINC000181321363 368443892 /nfs/dbraw/zinc/44/38/92/368443892.db2.gz JRAYHUTYSCBXLA-NEPJUHHUSA-N 2 1 283.803 2.186 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ncccc2Cl)CC[N@H+]1C ZINC000181321363 368443896 /nfs/dbraw/zinc/44/38/96/368443896.db2.gz JRAYHUTYSCBXLA-NEPJUHHUSA-N 2 1 283.803 2.186 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccnn1C ZINC000682647822 541692881 /nfs/dbraw/zinc/69/28/81/541692881.db2.gz VAKNSKYNBYGGOF-PMPSAXMXSA-N 2 1 290.455 2.376 20 0 CEADMP [NH3+][C@@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000346097197 368544190 /nfs/dbraw/zinc/54/41/90/368544190.db2.gz QAAYQLAEZSOSKA-MRXNPFEDSA-N 2 1 262.397 2.059 20 0 CEADMP [NH3+][C@@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000346097197 368544194 /nfs/dbraw/zinc/54/41/94/368544194.db2.gz QAAYQLAEZSOSKA-MRXNPFEDSA-N 2 1 262.397 2.059 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000634120135 368545922 /nfs/dbraw/zinc/54/59/22/368545922.db2.gz HBFYCRNFCTTYQP-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000682696686 541700543 /nfs/dbraw/zinc/70/05/43/541700543.db2.gz HEGBMJBUOHXSCR-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000682696685 541700589 /nfs/dbraw/zinc/70/05/89/541700589.db2.gz HEGBMJBUOHXSCR-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCOCC[N@@H+](CC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346184495 368582412 /nfs/dbraw/zinc/58/24/12/368582412.db2.gz UECFSCJYLIPVCR-UHFFFAOYSA-N 2 1 288.395 2.434 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@@H]1CCOC1 ZINC000346198215 368588324 /nfs/dbraw/zinc/58/83/24/368588324.db2.gz GAFBMYQKTJIVON-AWEZNQCLSA-N 2 1 286.379 2.044 20 0 CEADMP Cc1nn(-c2ccncc2)cc1CN1CCOC(C)(C)C1 ZINC000346226607 368598918 /nfs/dbraw/zinc/59/89/18/368598918.db2.gz XNPWGXHZCKNTAC-UHFFFAOYSA-N 2 1 286.379 2.187 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCO2)[C@H](C)C1 ZINC000346554602 368716216 /nfs/dbraw/zinc/71/62/16/368716216.db2.gz IUDQLSVSSDRNGL-WCXIOVBPSA-N 2 1 298.471 2.281 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000346673559 368762807 /nfs/dbraw/zinc/76/28/07/368762807.db2.gz IBWBTQPWVZRHQO-OCCSQVGLSA-N 2 1 278.396 2.263 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1C ZINC000346682831 368767644 /nfs/dbraw/zinc/76/76/44/368767644.db2.gz PZHUFEYZBJVFNI-BXUZGUMPSA-N 2 1 264.417 2.079 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000346686768 368769585 /nfs/dbraw/zinc/76/95/85/368769585.db2.gz UGIRJJRVJGSGPM-JSGCOSHPSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000346647513 368749382 /nfs/dbraw/zinc/74/93/82/368749382.db2.gz AQWCXOSNEPVHLK-RYUDHWBXSA-N 2 1 288.370 2.385 20 0 CEADMP Cc1ncc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1-c1ccccc1 ZINC000346646158 368749555 /nfs/dbraw/zinc/74/95/55/368749555.db2.gz ADMZDVIKOLUZHJ-HIFRSBDPSA-N 2 1 284.407 2.350 20 0 CEADMP Cc1ncc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1-c1ccccc1 ZINC000346646158 368749560 /nfs/dbraw/zinc/74/95/60/368749560.db2.gz ADMZDVIKOLUZHJ-HIFRSBDPSA-N 2 1 284.407 2.350 20 0 CEADMP C[C@H]1CC[C@@H](C[N@@H+](CCC[NH3+])CC2CCCC2)O1 ZINC000634687987 368815189 /nfs/dbraw/zinc/81/51/89/368815189.db2.gz FBPQLPRLEZEJSM-ZFWWWQNUSA-N 2 1 254.418 2.395 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)O1 ZINC000634687856 368815353 /nfs/dbraw/zinc/81/53/53/368815353.db2.gz BFZBSHAJXITRLQ-LXTVHRRPSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]1CC[C@@H](C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])O1 ZINC000634688355 368816849 /nfs/dbraw/zinc/81/68/49/368816849.db2.gz PTFMQGJHHLDJHK-CBBWQLFWSA-N 2 1 254.418 2.393 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634732256 368845233 /nfs/dbraw/zinc/84/52/33/368845233.db2.gz BRFYGLCSHRLIJR-HNNXBMFYSA-N 3 1 267.461 2.227 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000346985412 368794362 /nfs/dbraw/zinc/79/43/62/368794362.db2.gz PJEGVYVGIWOEMK-MGPQQGTHSA-N 2 1 254.418 2.121 20 0 CEADMP O[C@]1(C[N@@H+]2CC[C@H]2C2CC2)CC[NH+](Cc2ccccc2)C1 ZINC000634648487 368795491 /nfs/dbraw/zinc/79/54/91/368795491.db2.gz RRZGAMNQHDVUPC-ZWKOTPCHSA-N 2 1 286.419 2.108 20 0 CEADMP O[C@]1(C[N@H+]2CC[C@H]2C2CC2)CC[NH+](Cc2ccccc2)C1 ZINC000634648487 368795497 /nfs/dbraw/zinc/79/54/97/368795497.db2.gz RRZGAMNQHDVUPC-ZWKOTPCHSA-N 2 1 286.419 2.108 20 0 CEADMP O[C@]1(C[NH+]2CC[C@H]2C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634648487 368795503 /nfs/dbraw/zinc/79/55/03/368795503.db2.gz RRZGAMNQHDVUPC-ZWKOTPCHSA-N 2 1 286.419 2.108 20 0 CEADMP O[C@]1(C[NH+]2CC[C@H]2C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634648487 368795508 /nfs/dbraw/zinc/79/55/08/368795508.db2.gz RRZGAMNQHDVUPC-ZWKOTPCHSA-N 2 1 286.419 2.108 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000348015258 368859591 /nfs/dbraw/zinc/85/95/91/368859591.db2.gz TYKMVCBBCSQRMH-HOTGVXAUSA-N 2 1 270.461 2.495 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000348024392 368863259 /nfs/dbraw/zinc/86/32/59/368863259.db2.gz XGKPQDDPSNSAAV-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH2+]CCN1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348070459 368884305 /nfs/dbraw/zinc/88/43/05/368884305.db2.gz DGCQMDVZEVOEDV-WMZOPIPTSA-N 2 1 287.451 2.192 20 0 CEADMP [NH3+]CC[C@H]1CCCCN1c1cc[nH+]c(N2CCCCC2)n1 ZINC000634809687 368898102 /nfs/dbraw/zinc/89/81/02/368898102.db2.gz YDZHFXFWKPVHLF-CQSZACIVSA-N 2 1 289.427 2.175 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000348103267 368899466 /nfs/dbraw/zinc/89/94/66/368899466.db2.gz OEMZQTRWOWRFMI-YCPHGPKFSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000348103267 368899472 /nfs/dbraw/zinc/89/94/72/368899472.db2.gz OEMZQTRWOWRFMI-YCPHGPKFSA-N 2 1 299.422 2.401 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000348273637 368980444 /nfs/dbraw/zinc/98/04/44/368980444.db2.gz KKAHZTUXQPPSPT-VSZNYVQBSA-N 2 1 288.435 2.052 20 0 CEADMP Cn1ccnc1[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000635010156 369047220 /nfs/dbraw/zinc/04/72/20/369047220.db2.gz YXOAFJJVMWFKDM-IRXDYDNUSA-N 2 1 298.434 2.421 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cncn1C ZINC000348362953 369018554 /nfs/dbraw/zinc/01/85/54/369018554.db2.gz DFTFXBQTGGVFJF-GOEBONIOSA-N 2 1 278.444 2.410 20 0 CEADMP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993262 369022135 /nfs/dbraw/zinc/02/21/35/369022135.db2.gz OYMYAYCGXLTAOX-HQVVEAJESA-N 2 1 285.435 2.469 20 0 CEADMP CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993262 369022142 /nfs/dbraw/zinc/02/21/42/369022142.db2.gz OYMYAYCGXLTAOX-HQVVEAJESA-N 2 1 285.435 2.469 20 0 CEADMP CCN(C)C(=O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000186808561 369047795 /nfs/dbraw/zinc/04/77/95/369047795.db2.gz NDPKDDYWOMNGPO-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCn1nc(C)c(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000634997918 369028015 /nfs/dbraw/zinc/02/80/15/369028015.db2.gz WDEIQCNURUSQRT-WFASDCNBSA-N 2 1 278.444 2.340 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000635011014 369048531 /nfs/dbraw/zinc/04/85/31/369048531.db2.gz CHYFGNSELQYVQX-KURKYZTESA-N 2 1 287.451 2.429 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000635011014 369048534 /nfs/dbraw/zinc/04/85/34/369048534.db2.gz CHYFGNSELQYVQX-KURKYZTESA-N 2 1 287.451 2.429 20 0 CEADMP CCCc1cccc(C[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000635001212 369036025 /nfs/dbraw/zinc/03/60/25/369036025.db2.gz KMORAOOPAFHKQK-UHFFFAOYSA-N 2 1 276.424 2.185 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000635004539 369039951 /nfs/dbraw/zinc/03/99/51/369039951.db2.gz PMEYNKPTISONBG-MUQADHOPSA-N 2 1 289.467 2.470 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000635004539 369039955 /nfs/dbraw/zinc/03/99/55/369039955.db2.gz PMEYNKPTISONBG-MUQADHOPSA-N 3 1 289.467 2.470 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000635004539 369039958 /nfs/dbraw/zinc/03/99/58/369039958.db2.gz PMEYNKPTISONBG-MUQADHOPSA-N 3 1 289.467 2.470 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000348303980 368993423 /nfs/dbraw/zinc/99/34/23/368993423.db2.gz RGEFTFNNCGZYBA-HZPDHXFCSA-N 2 1 278.444 2.410 20 0 CEADMP COC1CC([N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000348677373 369118514 /nfs/dbraw/zinc/11/85/14/369118514.db2.gz UYNBNLLTQUEMDE-UHFFFAOYSA-N 2 1 286.379 2.185 20 0 CEADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CCSCC1 ZINC000187168115 369114471 /nfs/dbraw/zinc/11/44/71/369114471.db2.gz PRICYKCURLTXJL-OAHLLOKOSA-N 2 1 299.528 2.135 20 0 CEADMP Cc1[nH+]ccn1CCCN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000348754572 369142182 /nfs/dbraw/zinc/14/21/82/369142182.db2.gz AVZQEGJIDQFTGZ-DLBZAZTESA-N 2 1 284.407 2.008 20 0 CEADMP COC[C@H](C)C[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000187676393 369199661 /nfs/dbraw/zinc/19/96/61/369199661.db2.gz SUISIHCRNLBFQI-UKRRQHHQSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000635566434 369222566 /nfs/dbraw/zinc/22/25/66/369222566.db2.gz WMGRXDGDZWHTFR-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP c1cc(OCC2CC2)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000682998177 541748317 /nfs/dbraw/zinc/74/83/17/541748317.db2.gz NYNZYSZYOMGHIN-HOTGVXAUSA-N 2 1 272.392 2.127 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC000635674457 369280469 /nfs/dbraw/zinc/28/04/69/369280469.db2.gz COOPAVOXKIATCE-OAHLLOKOSA-N 2 1 297.487 2.058 20 0 CEADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC000635674457 369280473 /nfs/dbraw/zinc/28/04/73/369280473.db2.gz COOPAVOXKIATCE-OAHLLOKOSA-N 2 1 297.487 2.058 20 0 CEADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000635674457 369280479 /nfs/dbraw/zinc/28/04/79/369280479.db2.gz COOPAVOXKIATCE-OAHLLOKOSA-N 2 1 297.487 2.058 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC000635674451 369280673 /nfs/dbraw/zinc/28/06/73/369280673.db2.gz COOPAVOXKIATCE-HNNXBMFYSA-N 2 1 297.487 2.058 20 0 CEADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC000635674451 369280680 /nfs/dbraw/zinc/28/06/80/369280680.db2.gz COOPAVOXKIATCE-HNNXBMFYSA-N 2 1 297.487 2.058 20 0 CEADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000635674451 369280684 /nfs/dbraw/zinc/28/06/84/369280684.db2.gz COOPAVOXKIATCE-HNNXBMFYSA-N 2 1 297.487 2.058 20 0 CEADMP COC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCOCC1 ZINC000188068873 369289333 /nfs/dbraw/zinc/28/93/33/369289333.db2.gz WQQIXPRSCDAXGU-MRXNPFEDSA-N 2 1 295.427 2.003 20 0 CEADMP CC[C@H]1C[C@@H](C[N@@H+](CC)CCC[NH+](C)C)CCO1 ZINC000349409653 369322391 /nfs/dbraw/zinc/32/23/91/369322391.db2.gz SJRZQJLXQPPCQW-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP C[NH+](C)Cc1ccc(-c2noc([C@H]3CC[N@@H+](C)C3)n2)cc1 ZINC000349738828 369382620 /nfs/dbraw/zinc/38/26/20/369382620.db2.gz ZBVZPZNQBKJAGQ-AWEZNQCLSA-N 2 1 286.379 2.217 20 0 CEADMP Cn1ccnc1[C@@H](C1CC1)[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000639077949 370951861 /nfs/dbraw/zinc/95/18/61/370951861.db2.gz SXDIYOQMHKITNX-CZUORRHYSA-N 2 1 299.422 2.262 20 0 CEADMP Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000639077949 370951863 /nfs/dbraw/zinc/95/18/63/370951863.db2.gz SXDIYOQMHKITNX-CZUORRHYSA-N 2 1 299.422 2.262 20 0 CEADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358247077 370970378 /nfs/dbraw/zinc/97/03/78/370970378.db2.gz CZDHQBUZJHVTLI-DLBZAZTESA-N 2 1 294.414 2.049 20 0 CEADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358247077 370970381 /nfs/dbraw/zinc/97/03/81/370970381.db2.gz CZDHQBUZJHVTLI-DLBZAZTESA-N 2 1 294.414 2.049 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000358251975 370973021 /nfs/dbraw/zinc/97/30/21/370973021.db2.gz NABPSBXFLXBPOP-KSSFIOAISA-N 2 1 288.435 2.283 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000358251975 370973028 /nfs/dbraw/zinc/97/30/28/370973028.db2.gz NABPSBXFLXBPOP-KSSFIOAISA-N 2 1 288.435 2.283 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000358251976 370973543 /nfs/dbraw/zinc/97/35/43/370973543.db2.gz NABPSBXFLXBPOP-RDTXWAMCSA-N 2 1 288.435 2.283 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000358251976 370973546 /nfs/dbraw/zinc/97/35/46/370973546.db2.gz NABPSBXFLXBPOP-RDTXWAMCSA-N 2 1 288.435 2.283 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000246538773 370975714 /nfs/dbraw/zinc/97/57/14/370975714.db2.gz SITMLQJIHRWHLR-CABCVRRESA-N 2 1 295.471 2.003 20 0 CEADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358259408 370979008 /nfs/dbraw/zinc/97/90/08/370979008.db2.gz WWVANHKDENTBIH-IRXDYDNUSA-N 2 1 276.424 2.054 20 0 CEADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358259408 370979011 /nfs/dbraw/zinc/97/90/11/370979011.db2.gz WWVANHKDENTBIH-IRXDYDNUSA-N 2 1 276.424 2.054 20 0 CEADMP Cc1nccn1CCC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352489058 369754298 /nfs/dbraw/zinc/75/42/98/369754298.db2.gz XKYNCDZSFOUDKP-UHFFFAOYSA-N 2 1 278.444 2.423 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352489058 369754302 /nfs/dbraw/zinc/75/43/02/369754302.db2.gz XKYNCDZSFOUDKP-UHFFFAOYSA-N 3 1 278.444 2.423 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352489058 369754305 /nfs/dbraw/zinc/75/43/05/369754305.db2.gz XKYNCDZSFOUDKP-UHFFFAOYSA-N 3 1 278.444 2.423 20 0 CEADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000191980179 369760230 /nfs/dbraw/zinc/76/02/30/369760230.db2.gz MQLADRCTQDXKEC-UHFFFAOYSA-N 2 1 283.375 2.418 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCOCCOc1ccccc1 ZINC000352503550 369762418 /nfs/dbraw/zinc/76/24/18/369762418.db2.gz HMAFGMZVQNLNSP-MRXNPFEDSA-N 2 1 292.423 2.285 20 0 CEADMP Cc1csc(=O)n1CC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352520356 369771818 /nfs/dbraw/zinc/77/18/18/369771818.db2.gz XNYZACSIQHBADN-UHFFFAOYSA-N 2 1 297.468 2.059 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CCO1 ZINC000352611427 369806661 /nfs/dbraw/zinc/80/66/61/369806661.db2.gz HNGUFLKKRSDFKU-WCVJEAGWSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CCO1 ZINC000352611427 369806665 /nfs/dbraw/zinc/80/66/65/369806665.db2.gz HNGUFLKKRSDFKU-WCVJEAGWSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CCO1 ZINC000352611427 369806667 /nfs/dbraw/zinc/80/66/67/369806667.db2.gz HNGUFLKKRSDFKU-WCVJEAGWSA-N 2 1 266.429 2.218 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000352693474 369840469 /nfs/dbraw/zinc/84/04/69/369840469.db2.gz LRYYSXVZNOVJJO-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000352693474 369840475 /nfs/dbraw/zinc/84/04/75/369840475.db2.gz LRYYSXVZNOVJJO-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000276596681 193394942 /nfs/dbraw/zinc/39/49/42/193394942.db2.gz DVDUXVOBDBCJHQ-LBPRGKRZSA-N 2 1 286.379 2.272 20 0 CEADMP CO[C@H]1CCC[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352743410 369863693 /nfs/dbraw/zinc/86/36/93/369863693.db2.gz UQNDYLQONVXLIW-AAEUAGOBSA-N 2 1 283.441 2.109 20 0 CEADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000352749179 369866590 /nfs/dbraw/zinc/86/65/90/369866590.db2.gz PZMAZFMHXBVLMP-AESZEHBQSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000352749179 369866595 /nfs/dbraw/zinc/86/65/95/369866595.db2.gz PZMAZFMHXBVLMP-AESZEHBQSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352749179 369866598 /nfs/dbraw/zinc/86/65/98/369866598.db2.gz PZMAZFMHXBVLMP-AESZEHBQSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352749179 369866601 /nfs/dbraw/zinc/86/66/01/369866601.db2.gz PZMAZFMHXBVLMP-AESZEHBQSA-N 2 1 279.472 2.179 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)s1 ZINC000352751375 369868459 /nfs/dbraw/zinc/86/84/59/369868459.db2.gz UPIAXMROYCIYLW-MRVWCRGKSA-N 2 1 295.452 2.108 20 0 CEADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000193131295 369897465 /nfs/dbraw/zinc/89/74/65/369897465.db2.gz JRHNBOHGNQPKQE-JKSUJKDBSA-N 2 1 281.488 2.428 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)NCc1ncc(C[NH+](C)C)s1 ZINC000352830751 369902387 /nfs/dbraw/zinc/90/23/87/369902387.db2.gz VFPUDBVZEFZQKC-ZDUSSCGKSA-N 2 1 298.500 2.271 20 0 CEADMP C[C@H]([NH2+]Cc1ccnc(N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000193549476 369953805 /nfs/dbraw/zinc/95/38/05/369953805.db2.gz YORMCVIQIUUCIN-ZFWWWQNUSA-N 2 1 288.439 2.406 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353077191 370009918 /nfs/dbraw/zinc/00/99/18/370009918.db2.gz DOVSKMXSAJCQHD-SWLSCSKDSA-N 2 1 265.401 2.034 20 0 CEADMP Cc1cccc2ncc(CN[C@H](C)C[N@@H+](C)C(C)C)n21 ZINC000353132333 370032012 /nfs/dbraw/zinc/03/20/12/370032012.db2.gz VPHHSAXOVOREAA-CYBMUJFWSA-N 2 1 274.412 2.461 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@H](C)CN(C)C(C)C)n21 ZINC000353132333 370032018 /nfs/dbraw/zinc/03/20/18/370032018.db2.gz VPHHSAXOVOREAA-CYBMUJFWSA-N 2 1 274.412 2.461 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCO1 ZINC000353152439 370041948 /nfs/dbraw/zinc/04/19/48/370041948.db2.gz WPIDPYZBQZQXKT-YFVFXCHESA-N 2 1 266.429 2.359 20 0 CEADMP C[C@@H]1C[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000353152439 370041954 /nfs/dbraw/zinc/04/19/54/370041954.db2.gz WPIDPYZBQZQXKT-YFVFXCHESA-N 2 1 266.429 2.359 20 0 CEADMP C[C@@H]1C[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000353152439 370041960 /nfs/dbraw/zinc/04/19/60/370041960.db2.gz WPIDPYZBQZQXKT-YFVFXCHESA-N 2 1 266.429 2.359 20 0 CEADMP C[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000195148352 370109263 /nfs/dbraw/zinc/10/92/63/370109263.db2.gz ZJZFKSPSLFEFQI-KBPBESRZSA-N 2 1 289.423 2.024 20 0 CEADMP C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000195148418 370109307 /nfs/dbraw/zinc/10/93/07/370109307.db2.gz HILSVUPGQUAHPV-KGLIPLIRSA-N 2 1 289.423 2.024 20 0 CEADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000637857929 370125563 /nfs/dbraw/zinc/12/55/63/370125563.db2.gz VFVNJRNFHATSAH-RISCZKNCSA-N 2 1 261.369 2.129 20 0 CEADMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000637857929 370125570 /nfs/dbraw/zinc/12/55/70/370125570.db2.gz VFVNJRNFHATSAH-RISCZKNCSA-N 2 1 261.369 2.129 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@](C)(O)c3ccccc3)CC[C@@H]21 ZINC000220947946 370235136 /nfs/dbraw/zinc/23/51/36/370235136.db2.gz ORUKBSRMDUBWCA-BPQIPLTHSA-N 2 1 288.435 2.310 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@](C)(O)c3ccccc3)CC[C@@H]21 ZINC000220947946 370235142 /nfs/dbraw/zinc/23/51/42/370235142.db2.gz ORUKBSRMDUBWCA-BPQIPLTHSA-N 2 1 288.435 2.310 20 0 CEADMP COCC(C)(C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354167341 370240638 /nfs/dbraw/zinc/24/06/38/370240638.db2.gz PPPMQKXPLKOQMZ-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP COCC(C)(C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000354167341 370240646 /nfs/dbraw/zinc/24/06/46/370240646.db2.gz PPPMQKXPLKOQMZ-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP COCC(C)(C)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000354167341 370240651 /nfs/dbraw/zinc/24/06/51/370240651.db2.gz PPPMQKXPLKOQMZ-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000223555603 370267497 /nfs/dbraw/zinc/26/74/97/370267497.db2.gz GZHDITFZEPZVLA-NSHDSACASA-N 2 1 252.333 2.092 20 0 CEADMP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000638070428 370279941 /nfs/dbraw/zinc/27/99/41/370279941.db2.gz XGJNGMURWNVWIH-KFWWJZLASA-N 2 1 283.460 2.129 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000354509949 370391420 /nfs/dbraw/zinc/39/14/20/370391420.db2.gz LPRZZANQNMFILY-BARDWOONSA-N 2 1 254.418 2.264 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000354509949 370391426 /nfs/dbraw/zinc/39/14/26/370391426.db2.gz LPRZZANQNMFILY-BARDWOONSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@](C)(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)OC ZINC000638181851 370361153 /nfs/dbraw/zinc/36/11/53/370361153.db2.gz YPELNLUNTUPTID-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@](C)(C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C1CC1 ZINC000638131464 370325196 /nfs/dbraw/zinc/32/51/96/370325196.db2.gz CALJOFMGSMWOMH-NVXWUHKLSA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@](C)(C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CC1 ZINC000638131464 370325199 /nfs/dbraw/zinc/32/51/99/370325199.db2.gz CALJOFMGSMWOMH-NVXWUHKLSA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@](C)(C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CC1 ZINC000638131464 370325203 /nfs/dbraw/zinc/32/52/03/370325203.db2.gz CALJOFMGSMWOMH-NVXWUHKLSA-N 2 1 280.456 2.465 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(C2CC2)no1 ZINC000638335276 370453489 /nfs/dbraw/zinc/45/34/89/370453489.db2.gz KRYHYBCOYNFICB-LLVKDONJSA-N 2 1 274.368 2.483 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@@H]2CC2(F)F)CC1 ZINC000638360129 370468960 /nfs/dbraw/zinc/46/89/60/370468960.db2.gz PLKUWVHTZYQFCG-KGLIPLIRSA-N 2 1 289.414 2.037 20 0 CEADMP C[C@@H](C[NH2+]CCC[C@@H]1CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638362714 370470935 /nfs/dbraw/zinc/47/09/35/370470935.db2.gz CSJDKOWFENHAFZ-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](C[NH2+]CCC[C@@H]1CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000638362714 370470940 /nfs/dbraw/zinc/47/09/40/370470940.db2.gz CSJDKOWFENHAFZ-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC1(C[NH+](C)C)CCCC1 ZINC000355057677 370501176 /nfs/dbraw/zinc/50/11/76/370501176.db2.gz FIYQATLZPUSHQT-GJZGRUSLSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000355057677 370501183 /nfs/dbraw/zinc/50/11/83/370501183.db2.gz FIYQATLZPUSHQT-GJZGRUSLSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000355057677 370501191 /nfs/dbraw/zinc/50/11/91/370501191.db2.gz FIYQATLZPUSHQT-GJZGRUSLSA-N 3 1 267.461 2.038 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC000638409362 370507631 /nfs/dbraw/zinc/50/76/31/370507631.db2.gz KNCRYLOODHTXBG-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1CCC[NH3+] ZINC000638422697 370518311 /nfs/dbraw/zinc/51/83/11/370518311.db2.gz HDEZMYLEBFRHOS-HUUCEWRRSA-N 2 1 297.487 2.330 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000638378501 370485122 /nfs/dbraw/zinc/48/51/22/370485122.db2.gz XLCBHQVAUACIQJ-NUEKZKHPSA-N 2 1 289.423 2.238 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2N)C1 ZINC000638450229 370538119 /nfs/dbraw/zinc/53/81/19/370538119.db2.gz CEGMNNYYYORNAP-GFCCVEGCSA-N 2 1 265.376 2.229 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2N)C1 ZINC000638450229 370538122 /nfs/dbraw/zinc/53/81/22/370538122.db2.gz CEGMNNYYYORNAP-GFCCVEGCSA-N 2 1 265.376 2.229 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@](C)(OC)C2CC2)C1 ZINC000638450185 370538347 /nfs/dbraw/zinc/53/83/47/370538347.db2.gz AVUWRWSQELWHJX-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000234341562 370534705 /nfs/dbraw/zinc/53/47/05/370534705.db2.gz KEHQAQJRPISOKW-MRXNPFEDSA-N 2 1 260.381 2.453 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000638579764 370617609 /nfs/dbraw/zinc/61/76/09/370617609.db2.gz XFKVPIMERNDWPN-FPCVCCKLSA-N 2 1 295.471 2.286 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1CCCC ZINC000236761024 370621396 /nfs/dbraw/zinc/62/13/96/370621396.db2.gz ROAAWVMYYBKZLH-LSDHHAIUSA-N 2 1 283.460 2.275 20 0 CEADMP CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)[NH+](CC)CC ZINC000356212055 370627570 /nfs/dbraw/zinc/62/75/70/370627570.db2.gz FUQZYTUZKAWXSL-WBVHZDCISA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000355621649 370608170 /nfs/dbraw/zinc/60/81/70/370608170.db2.gz RHBQBPLOIMRMOI-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)C1C[NH2+]C1 ZINC000335215994 296163277 /nfs/dbraw/zinc/16/32/77/296163277.db2.gz LHQLRUHUBRBDDF-YGRLFVJLSA-N 2 1 264.344 2.237 20 0 CEADMP CC[N@H+]1CC[C@H](NC2CC[NH+](CC(C)C)CC2)[C@@H](C)C1 ZINC000247014387 371046941 /nfs/dbraw/zinc/04/69/41/371046941.db2.gz LJTDWWFIWCKKSU-RDJZCZTQSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)[C@@H](C)C1 ZINC000247021242 371048742 /nfs/dbraw/zinc/04/87/42/371048742.db2.gz LTFLUEJLSPQZJF-BLLLJJGKSA-N 2 1 280.387 2.138 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)[C@@H](C)C1 ZINC000247021242 371048749 /nfs/dbraw/zinc/04/87/49/371048749.db2.gz LTFLUEJLSPQZJF-BLLLJJGKSA-N 2 1 280.387 2.138 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)c1ccccc1 ZINC000246842353 371020333 /nfs/dbraw/zinc/02/03/33/371020333.db2.gz BSBOSVYXRGHKCL-MUIFIZLQSA-N 2 1 276.424 2.081 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)CC[N@@H+]1C ZINC000246861667 371021830 /nfs/dbraw/zinc/02/18/30/371021830.db2.gz CMZSIIDDYGWBBB-UXXRCYHCSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)CC[N@H+]1C ZINC000246861667 371021833 /nfs/dbraw/zinc/02/18/33/371021833.db2.gz CMZSIIDDYGWBBB-UXXRCYHCSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](O)Cc1ccccc1 ZINC000358341467 371024207 /nfs/dbraw/zinc/02/42/07/371024207.db2.gz NVCNPWJHXHITCZ-RANZSIQMSA-N 2 1 288.435 2.195 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000358344457 371024980 /nfs/dbraw/zinc/02/49/80/371024980.db2.gz JTCSHOZXLBDSDD-DVOMOZLQSA-N 2 1 286.423 2.424 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ncccc23)[C@@H](C)C1 ZINC000358344025 371025697 /nfs/dbraw/zinc/02/56/97/371025697.db2.gz IHUCWNOVEDHIRU-XJKSGUPXSA-N 2 1 286.423 2.425 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)CC1(COC)CCC1 ZINC000639176028 371051713 /nfs/dbraw/zinc/05/17/13/371051713.db2.gz VBFARAXVDVDFFT-UHFFFAOYSA-N 2 1 256.434 2.467 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2O)[C@@H](C)C1 ZINC000246932918 371033152 /nfs/dbraw/zinc/03/31/52/371033152.db2.gz HCADDICHPGIHAV-DZGCQCFKSA-N 2 1 262.397 2.255 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)[C@@H](C)C1 ZINC000246990668 371042716 /nfs/dbraw/zinc/04/27/16/371042716.db2.gz NEZICKUXVNGQTE-WMLDXEAASA-N 2 1 299.422 2.087 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(C)n1 ZINC000639170051 371042746 /nfs/dbraw/zinc/04/27/46/371042746.db2.gz OWYCANACCPIROR-SWLSCSKDSA-N 2 1 276.428 2.474 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(C)n1 ZINC000639170051 371042750 /nfs/dbraw/zinc/04/27/50/371042750.db2.gz OWYCANACCPIROR-SWLSCSKDSA-N 2 1 276.428 2.474 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21)OC ZINC000639178133 371057179 /nfs/dbraw/zinc/05/71/79/371057179.db2.gz IPYUOTZERPLUSB-JJXSEGSLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21)OC ZINC000639178133 371057182 /nfs/dbraw/zinc/05/71/82/371057182.db2.gz IPYUOTZERPLUSB-JJXSEGSLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)OC ZINC000639178133 371057187 /nfs/dbraw/zinc/05/71/87/371057187.db2.gz IPYUOTZERPLUSB-JJXSEGSLSA-N 2 1 268.445 2.464 20 0 CEADMP COCC1(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)CCC1 ZINC000639179042 371057509 /nfs/dbraw/zinc/05/75/09/371057509.db2.gz RDHMUKTVMUBREL-ZIAGYGMSSA-N 2 1 254.418 2.075 20 0 CEADMP COCC1(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)CCC1 ZINC000639179042 371057514 /nfs/dbraw/zinc/05/75/14/371057514.db2.gz RDHMUKTVMUBREL-ZIAGYGMSSA-N 2 1 254.418 2.075 20 0 CEADMP COCC1(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)CCC1 ZINC000639179042 371057517 /nfs/dbraw/zinc/05/75/17/371057517.db2.gz RDHMUKTVMUBREL-ZIAGYGMSSA-N 2 1 254.418 2.075 20 0 CEADMP COCC1(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000639179042 371057522 /nfs/dbraw/zinc/05/75/22/371057522.db2.gz RDHMUKTVMUBREL-ZIAGYGMSSA-N 2 1 254.418 2.075 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(CO)cc2)C1 ZINC000639180840 371062624 /nfs/dbraw/zinc/06/26/24/371062624.db2.gz ZNQBMCQHRDFYKJ-DLBZAZTESA-N 2 1 274.408 2.095 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(CO)cc2)C1 ZINC000639180840 371062625 /nfs/dbraw/zinc/06/26/25/371062625.db2.gz ZNQBMCQHRDFYKJ-DLBZAZTESA-N 2 1 274.408 2.095 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(CO)cc2)C1 ZINC000639180840 371062629 /nfs/dbraw/zinc/06/26/29/371062629.db2.gz ZNQBMCQHRDFYKJ-DLBZAZTESA-N 2 1 274.408 2.095 20 0 CEADMP CC[C@@](C)(C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)OC ZINC000639207643 371096226 /nfs/dbraw/zinc/09/62/26/371096226.db2.gz JGFWYTPRIHCRAA-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CC[C@@](C)(C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)OC ZINC000639207643 371096231 /nfs/dbraw/zinc/09/62/31/371096231.db2.gz JGFWYTPRIHCRAA-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CC[C@@](C)(C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)OC ZINC000639207643 371096235 /nfs/dbraw/zinc/09/62/35/371096235.db2.gz JGFWYTPRIHCRAA-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC1CCSCC1 ZINC000639177048 371053093 /nfs/dbraw/zinc/05/30/93/371053093.db2.gz AENJCONXERTXDM-OCCSQVGLSA-N 2 1 256.459 2.402 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC1CCSCC1 ZINC000639177048 371053097 /nfs/dbraw/zinc/05/30/97/371053097.db2.gz AENJCONXERTXDM-OCCSQVGLSA-N 2 1 256.459 2.402 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC1CCSCC1 ZINC000639177048 371053101 /nfs/dbraw/zinc/05/31/01/371053101.db2.gz AENJCONXERTXDM-OCCSQVGLSA-N 2 1 256.459 2.402 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC1CCSCC1 ZINC000639177048 371053106 /nfs/dbraw/zinc/05/31/06/371053106.db2.gz AENJCONXERTXDM-OCCSQVGLSA-N 2 1 256.459 2.402 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccns3)C2)CC1 ZINC000639176834 371053142 /nfs/dbraw/zinc/05/31/42/371053142.db2.gz LNRSYLUNUKSYFP-ZDUSSCGKSA-N 2 1 265.426 2.307 20 0 CEADMP CC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000358631597 371145585 /nfs/dbraw/zinc/14/55/85/371145585.db2.gz OPSVGDZWFVAIER-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC[N@@H+]1C ZINC000639264381 371165210 /nfs/dbraw/zinc/16/52/10/371165210.db2.gz DLPZCHPGUNUREI-BWZWCVMUSA-N 2 1 292.467 2.246 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000639264381 371165216 /nfs/dbraw/zinc/16/52/16/371165216.db2.gz DLPZCHPGUNUREI-BWZWCVMUSA-N 2 1 292.467 2.246 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)COC)[C@H](C)C1 ZINC000248179783 371168792 /nfs/dbraw/zinc/16/87/92/371168792.db2.gz WFHPWBKNXNEIRZ-OAGGEKHMSA-N 2 1 286.460 2.138 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248409993 371188901 /nfs/dbraw/zinc/18/89/01/371188901.db2.gz CWMUYFXYLNRAQZ-QSPRXWTASA-N 2 1 274.408 2.152 20 0 CEADMP CO[C@@](C)(C[NH2+]CCC[N@@H+](C)CC(C)C)C1CC1 ZINC000639287824 371189170 /nfs/dbraw/zinc/18/91/70/371189170.db2.gz BVFWVTQSWWFVFR-HNNXBMFYSA-N 2 1 256.434 2.369 20 0 CEADMP COCC1(C)CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000358733704 371197294 /nfs/dbraw/zinc/19/72/94/371197294.db2.gz BYJNXUDENNTJAR-UHFFFAOYSA-N 2 1 265.401 2.330 20 0 CEADMP C[C@@H]1C[C@@H](C(=O)N(C)CC[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000358694291 371178194 /nfs/dbraw/zinc/17/81/94/371178194.db2.gz RHHCZYNVIFIPCI-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP COCC1([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCCCC1 ZINC000639336697 371246588 /nfs/dbraw/zinc/24/65/88/371246588.db2.gz FJDZZYKTWWGKHX-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP COCC1([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000639336697 371246590 /nfs/dbraw/zinc/24/65/90/371246590.db2.gz FJDZZYKTWWGKHX-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCSCC)[C@@H](C)C1 ZINC000248855474 371257233 /nfs/dbraw/zinc/25/72/33/371257233.db2.gz CXEGMNIJBOWQAM-GJZGRUSLSA-N 2 1 288.501 2.466 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C)O2)[C@@H](C)C1 ZINC000249029445 371283965 /nfs/dbraw/zinc/28/39/65/371283965.db2.gz FCRDIEREUDLCPQ-QAETUUGQSA-N 2 1 298.471 2.281 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])c2C1 ZINC000249030649 371284032 /nfs/dbraw/zinc/28/40/32/371284032.db2.gz LYJQYRNLXWDJCU-RYUDHWBXSA-N 2 1 275.396 2.334 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])c2C1 ZINC000249030649 371284038 /nfs/dbraw/zinc/28/40/38/371284038.db2.gz LYJQYRNLXWDJCU-RYUDHWBXSA-N 2 1 275.396 2.334 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248958828 371275370 /nfs/dbraw/zinc/27/53/70/371275370.db2.gz AUWREVJNCFMMON-DLBZAZTESA-N 2 1 280.456 2.345 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000639497702 371363246 /nfs/dbraw/zinc/36/32/46/371363246.db2.gz NNHUCDSXFOBAIX-XHSDSOJGSA-N 2 1 266.429 2.219 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000359252241 371394671 /nfs/dbraw/zinc/39/46/71/371394671.db2.gz OOPPAAYQUQWQDL-JYJNAYRXSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000251269644 371399347 /nfs/dbraw/zinc/39/93/47/371399347.db2.gz BOHWCEWGLWHESP-QXSJWSMHSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000251269644 371399350 /nfs/dbraw/zinc/39/93/50/371399350.db2.gz BOHWCEWGLWHESP-QXSJWSMHSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)CC[C@H]1[NH3+] ZINC000251836714 371418484 /nfs/dbraw/zinc/41/84/84/371418484.db2.gz QAWSURHIDXDDMD-ZWNOBZJWSA-N 2 1 270.323 2.457 20 0 CEADMP C[N@@H+](CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000250010496 371374173 /nfs/dbraw/zinc/37/41/73/371374173.db2.gz VCWMATIMBBOQRW-BRWVUGGUSA-N 2 1 279.472 2.371 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000250181206 371380381 /nfs/dbraw/zinc/38/03/81/371380381.db2.gz CHELUMFTVVCJSY-HEHGZKQESA-N 2 1 278.371 2.076 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000250181206 371380386 /nfs/dbraw/zinc/38/03/86/371380386.db2.gz CHELUMFTVVCJSY-HEHGZKQESA-N 2 1 278.371 2.076 20 0 CEADMP CCCCNC(=O)[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359224920 371384284 /nfs/dbraw/zinc/38/42/84/371384284.db2.gz UCROJMPZOSSZPC-INIZCTEOSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252564537 371456801 /nfs/dbraw/zinc/45/68/01/371456801.db2.gz YBLSLCQQGYAAIW-IJEWVQPXSA-N 2 1 278.396 2.054 20 0 CEADMP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252564537 371456806 /nfs/dbraw/zinc/45/68/06/371456806.db2.gz YBLSLCQQGYAAIW-IJEWVQPXSA-N 2 1 278.396 2.054 20 0 CEADMP COc1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC)c1 ZINC000252672922 371466402 /nfs/dbraw/zinc/46/64/02/371466402.db2.gz FCCFKAZIUHHZER-CABCVRRESA-N 2 1 290.407 2.420 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1 ZINC000252672922 371466408 /nfs/dbraw/zinc/46/64/08/371466408.db2.gz FCCFKAZIUHHZER-CABCVRRESA-N 2 1 290.407 2.420 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC)c1 ZINC000252672922 371466414 /nfs/dbraw/zinc/46/64/14/371466414.db2.gz FCCFKAZIUHHZER-CABCVRRESA-N 2 1 290.407 2.420 20 0 CEADMP CC[C@@H](C)[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccco1 ZINC000359563086 371471565 /nfs/dbraw/zinc/47/15/65/371471565.db2.gz SEAYMVJTZBQNSV-KGLIPLIRSA-N 2 1 295.427 2.165 20 0 CEADMP COc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252845298 371482154 /nfs/dbraw/zinc/48/21/54/371482154.db2.gz DZHKZNHAPSIIKP-JQFCIGGWSA-N 2 1 290.407 2.133 20 0 CEADMP C[C@H]1C[NH+](CC2(C[N@H+]3C[C@H](C)[C@H](C)C3)COC2)C[C@@H]1C ZINC000360017389 371500353 /nfs/dbraw/zinc/50/03/53/371500353.db2.gz QSGCOTPFPFHRAT-YHUYYLMFSA-N 2 1 280.456 2.179 20 0 CEADMP C[C@H]1CC[N@@H+](CCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000253246675 371504706 /nfs/dbraw/zinc/50/47/06/371504706.db2.gz SDABEJZNNQVNPE-LSDHHAIUSA-N 2 1 262.397 2.372 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+]([C@H]1Cc3ccccc3[C@H]1O)CC2 ZINC000360322558 371510443 /nfs/dbraw/zinc/51/04/43/371510443.db2.gz JUMLZGNOUBHGLI-DLBZAZTESA-N 2 1 286.419 2.205 20 0 CEADMP C[N@H+]1CCCC12CC[NH+]([C@H]1Cc3ccccc3[C@H]1O)CC2 ZINC000360322558 371510450 /nfs/dbraw/zinc/51/04/50/371510450.db2.gz JUMLZGNOUBHGLI-DLBZAZTESA-N 2 1 286.419 2.205 20 0 CEADMP C[C@H](c1csnn1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755134 371545204 /nfs/dbraw/zinc/54/52/04/371545204.db2.gz GRTPOLZFLSSJEP-LLVKDONJSA-N 2 1 266.414 2.017 20 0 CEADMP C[C@H](c1csnn1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755134 371545209 /nfs/dbraw/zinc/54/52/09/371545209.db2.gz GRTPOLZFLSSJEP-LLVKDONJSA-N 2 1 266.414 2.017 20 0 CEADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)sc1C ZINC000360922463 371546995 /nfs/dbraw/zinc/54/69/95/371546995.db2.gz QLUIWXSJHRQNMO-BXUZGUMPSA-N 2 1 281.469 2.486 20 0 CEADMP CCc1nocc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756566 371547138 /nfs/dbraw/zinc/54/71/38/371547138.db2.gz XHGWRTBLLVZQNY-UHFFFAOYSA-N 2 1 263.385 2.155 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCc3cscn3)C2)CC1 ZINC000639756626 371547206 /nfs/dbraw/zinc/54/72/06/371547206.db2.gz ZLRQMEAXKDJJBS-UHFFFAOYSA-N 2 1 265.426 2.103 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000639764890 371553868 /nfs/dbraw/zinc/55/38/68/371553868.db2.gz XRYJOGDHDBOMRT-CQSZACIVSA-N 2 1 290.398 2.200 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCNc1ccccn1 ZINC000361010499 371597040 /nfs/dbraw/zinc/59/70/40/371597040.db2.gz ZIUANOSRWQHMGQ-LSDHHAIUSA-N 2 1 276.428 2.204 20 0 CEADMP CCC[NH+](CCC)CCCN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000361026340 371605707 /nfs/dbraw/zinc/60/57/07/371605707.db2.gz AQZDVUBZAKAVGW-CVEARBPZSA-N 2 1 269.477 2.428 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000361026340 371605709 /nfs/dbraw/zinc/60/57/09/371605709.db2.gz AQZDVUBZAKAVGW-CVEARBPZSA-N 3 1 269.477 2.428 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000361026340 371605710 /nfs/dbraw/zinc/60/57/10/371605710.db2.gz AQZDVUBZAKAVGW-CVEARBPZSA-N 3 1 269.477 2.428 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000261588133 371665072 /nfs/dbraw/zinc/66/50/72/371665072.db2.gz JYCVCSRJCMPGOQ-HIFRSBDPSA-N 3 1 264.417 2.092 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cccc(Br)c2)CCC1 ZINC000261592872 371668463 /nfs/dbraw/zinc/66/84/63/371668463.db2.gz WFZPCPOTPAYCMT-UHFFFAOYSA-N 2 1 269.186 2.420 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000261538963 371639948 /nfs/dbraw/zinc/63/99/48/371639948.db2.gz BFQBXSCFWLPEHR-OKYOBFRVSA-N 2 1 299.462 2.239 20 0 CEADMP Cc1[nH+]ccn1CCN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983584 371713038 /nfs/dbraw/zinc/71/30/38/371713038.db2.gz JZVPNSWPCJFHQT-UHFFFAOYSA-N 2 1 276.428 2.142 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C)COC)CC1 ZINC000639987045 371715953 /nfs/dbraw/zinc/71/59/53/371715953.db2.gz VFPHZGUZDSDKQA-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP CCC1([NH+]2CCCC2)CCN(CCc2c[nH+]cn2C)CC1 ZINC000639986638 371716244 /nfs/dbraw/zinc/71/62/44/371716244.db2.gz PSWOFFZLQPVQLJ-UHFFFAOYSA-N 2 1 290.455 2.303 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](CCc2cncn2C)CC1 ZINC000639986638 371716248 /nfs/dbraw/zinc/71/62/48/371716248.db2.gz PSWOFFZLQPVQLJ-UHFFFAOYSA-N 2 1 290.455 2.303 20 0 CEADMP CCCO[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261753073 371719777 /nfs/dbraw/zinc/71/97/77/371719777.db2.gz KFLDQESYPSPHEW-CABCVRRESA-N 2 1 254.418 2.267 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000361219125 371721368 /nfs/dbraw/zinc/72/13/68/371721368.db2.gz AJLGVBSWVWOSGD-BRWVUGGUSA-N 2 1 276.424 2.225 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261894008 371764372 /nfs/dbraw/zinc/76/43/72/371764372.db2.gz VVQDWSWWBYMLHV-INIZCTEOSA-N 2 1 278.396 2.265 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261894008 371764378 /nfs/dbraw/zinc/76/43/78/371764378.db2.gz VVQDWSWWBYMLHV-INIZCTEOSA-N 2 1 278.396 2.265 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000261939452 371779444 /nfs/dbraw/zinc/77/94/44/371779444.db2.gz MLYLXYBBQNPMJX-OLZOCXBDSA-N 2 1 250.361 2.471 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)COC(C)C)CC1 ZINC000337333285 214012117 /nfs/dbraw/zinc/01/21/17/214012117.db2.gz JKQMPNSASHHGQJ-HNNXBMFYSA-N 2 1 286.460 2.279 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000261998079 371795555 /nfs/dbraw/zinc/79/55/55/371795555.db2.gz TVBBLCHSTRHLPI-UKRRQHHQSA-N 2 1 276.428 2.097 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262020281 371801615 /nfs/dbraw/zinc/80/16/15/371801615.db2.gz WBRCUSBCIUGMIN-KBPBESRZSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262020281 371801625 /nfs/dbraw/zinc/80/16/25/371801625.db2.gz WBRCUSBCIUGMIN-KBPBESRZSA-N 2 1 270.380 2.041 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000262026694 371804271 /nfs/dbraw/zinc/80/42/71/371804271.db2.gz WRDIEMTYBGSRFI-QWHCGFSZSA-N 2 1 262.397 2.427 20 0 CEADMP C[N@H+](Cc1scnc1C1CC1)CC(C)(C)C[NH3+] ZINC000262045468 371810145 /nfs/dbraw/zinc/81/01/45/371810145.db2.gz YYKCAEBXRUJJBA-UHFFFAOYSA-N 2 1 253.415 2.437 20 0 CEADMP C[N@@H+](Cc1scnc1C1CC1)CC(C)(C)C[NH3+] ZINC000262045468 371810160 /nfs/dbraw/zinc/81/01/60/371810160.db2.gz YYKCAEBXRUJJBA-UHFFFAOYSA-N 2 1 253.415 2.437 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000640098610 371811203 /nfs/dbraw/zinc/81/12/03/371811203.db2.gz FOXMRECLXIBKIW-JYJNAYRXSA-N 2 1 268.445 2.344 20 0 CEADMP C[N@H+]1CCC[C@H](CNC2=[NH+]CCCN2)[C@H]1c1cccs1 ZINC000262700807 371899077 /nfs/dbraw/zinc/89/90/77/371899077.db2.gz YWHYQYSPEJIKPB-OCCSQVGLSA-N 2 1 292.452 2.070 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361612199 371975971 /nfs/dbraw/zinc/97/59/71/371975971.db2.gz UBJRTPUUWIXOQR-RDJZCZTQSA-N 2 1 296.455 2.131 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361612199 371975977 /nfs/dbraw/zinc/97/59/77/371975977.db2.gz UBJRTPUUWIXOQR-RDJZCZTQSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361612199 371975980 /nfs/dbraw/zinc/97/59/80/371975980.db2.gz UBJRTPUUWIXOQR-RDJZCZTQSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361612199 371975987 /nfs/dbraw/zinc/97/59/87/371975987.db2.gz UBJRTPUUWIXOQR-RDJZCZTQSA-N 2 1 296.455 2.131 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](CO)C[C@H]1C ZINC000344147467 217073032 /nfs/dbraw/zinc/07/30/32/217073032.db2.gz DGUONRJZPWBUKI-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](CO)C[C@H]1C ZINC000344147467 217073035 /nfs/dbraw/zinc/07/30/35/217073035.db2.gz DGUONRJZPWBUKI-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP C[C@@H](c1nccc(N)n1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534954 372024730 /nfs/dbraw/zinc/02/47/30/372024730.db2.gz XTJCRQIFEHQUBT-AWEZNQCLSA-N 2 1 291.443 2.148 20 0 CEADMP C[C@@H](c1nccc(N)n1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534954 372024735 /nfs/dbraw/zinc/02/47/35/372024735.db2.gz XTJCRQIFEHQUBT-AWEZNQCLSA-N 2 1 291.443 2.148 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](O)CC(F)(F)F ZINC000640534080 372024761 /nfs/dbraw/zinc/02/47/61/372024761.db2.gz KYEFVKTVARQBLK-CYBMUJFWSA-N 2 1 296.377 2.498 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000361697299 372028543 /nfs/dbraw/zinc/02/85/43/372028543.db2.gz WMMJGPOLQVBKIL-MRXNPFEDSA-N 2 1 289.423 2.021 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000344158727 217080171 /nfs/dbraw/zinc/08/01/71/217080171.db2.gz CMGMQJNJANWSCZ-ZNMIVQPWSA-N 2 1 275.396 2.129 20 0 CEADMP CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)CC(C)(C)[NH3+] ZINC000361717756 372036918 /nfs/dbraw/zinc/03/69/18/372036918.db2.gz IADZZWAQNYLIKW-CYBMUJFWSA-N 2 1 292.427 2.125 20 0 CEADMP CC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361893879 372119355 /nfs/dbraw/zinc/11/93/55/372119355.db2.gz SCSRGNOHALVKMW-HOCLYGCPSA-N 2 1 262.397 2.012 20 0 CEADMP CC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361893879 372119360 /nfs/dbraw/zinc/11/93/60/372119360.db2.gz SCSRGNOHALVKMW-HOCLYGCPSA-N 2 1 262.397 2.012 20 0 CEADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000344203477 217097535 /nfs/dbraw/zinc/09/75/35/217097535.db2.gz OZJMAOCQCXMTMQ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP c1cn2c(cccc2CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000362039160 372181279 /nfs/dbraw/zinc/18/12/79/372181279.db2.gz MTVIBMWIKHANPS-DJIMGWMZSA-N 2 1 296.418 2.250 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000237520063 189879907 /nfs/dbraw/zinc/87/99/07/189879907.db2.gz QZECHADBYLSMPK-BLLLJJGKSA-N 2 1 298.390 2.110 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000268833436 372246914 /nfs/dbraw/zinc/24/69/14/372246914.db2.gz GBNUDKFYZQKYFE-NSHDSACASA-N 2 1 273.384 2.339 20 0 CEADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268852262 372254820 /nfs/dbraw/zinc/25/48/20/372254820.db2.gz PYUVISSEPOBTJE-KDOFPFPSSA-N 2 1 288.435 2.356 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCn2cnc3ccccc32)CC[N@H+]1C ZINC000268880628 372269941 /nfs/dbraw/zinc/26/99/41/372269941.db2.gz ZTHCWEXIOROZMO-KBPBESRZSA-N 2 1 272.396 2.109 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)c(C)n1 ZINC000269056314 372326948 /nfs/dbraw/zinc/32/69/48/372326948.db2.gz WXEVFHUNGZURQJ-GHMZBOCLSA-N 2 1 250.390 2.084 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000269144607 372357004 /nfs/dbraw/zinc/35/70/04/372357004.db2.gz YJQJSMGBUXRUBM-MRXNPFEDSA-N 2 1 289.423 2.092 20 0 CEADMP Cc1ccc(F)c(C[N@@H+](CCO)C2CCN(C)CC2)c1 ZINC000269381036 372435925 /nfs/dbraw/zinc/43/59/25/372435925.db2.gz XUTCSTCNOQCCEF-UHFFFAOYSA-N 2 1 280.387 2.023 20 0 CEADMP Cc1ccc(F)c(C[N@H+](CCO)C2CCN(C)CC2)c1 ZINC000269381036 372435928 /nfs/dbraw/zinc/43/59/28/372435928.db2.gz XUTCSTCNOQCCEF-UHFFFAOYSA-N 2 1 280.387 2.023 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccncc1N ZINC000641715978 372651128 /nfs/dbraw/zinc/65/11/28/372651128.db2.gz SYVCJIVAJWAGHQ-UHFFFAOYSA-N 2 1 264.417 2.266 20 0 CEADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000269928234 372603438 /nfs/dbraw/zinc/60/34/38/372603438.db2.gz CIDREFXOHGQNLV-IPYPFGDCSA-N 2 1 280.437 2.172 20 0 CEADMP Cn1cc(-c2cccc(C[N@@H+](C)C[C@@H]3CC[NH+](C)C3)c2)cn1 ZINC000364167251 372683420 /nfs/dbraw/zinc/68/34/20/372683420.db2.gz DNQNXWCJWITESL-MRXNPFEDSA-N 2 1 298.434 2.471 20 0 CEADMP Cn1cc(-c2cccc(C[NH+](C)C[C@@H]3CC[N@H+](C)C3)c2)cn1 ZINC000364167251 372683428 /nfs/dbraw/zinc/68/34/28/372683428.db2.gz DNQNXWCJWITESL-MRXNPFEDSA-N 2 1 298.434 2.471 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000641770413 372711239 /nfs/dbraw/zinc/71/12/39/372711239.db2.gz QSGQUDUENGVZOQ-OAHLLOKOSA-N 2 1 289.423 2.350 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(C)c(C)c1 ZINC000641772556 372716532 /nfs/dbraw/zinc/71/65/32/372716532.db2.gz RDBLGPINIWRKFT-KRWDZBQOSA-N 2 1 278.440 2.486 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)o1 ZINC000641798729 372739975 /nfs/dbraw/zinc/73/99/75/372739975.db2.gz HRMGZFYAZHSXKZ-DGCLKSJQSA-N 2 1 265.401 2.352 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)o1 ZINC000641798729 372739980 /nfs/dbraw/zinc/73/99/80/372739980.db2.gz HRMGZFYAZHSXKZ-DGCLKSJQSA-N 2 1 265.401 2.352 20 0 CEADMP Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641806387 372753028 /nfs/dbraw/zinc/75/30/28/372753028.db2.gz RKUMRPKOYIHUNY-IACUBPJLSA-N 2 1 275.396 2.037 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(F)cc1F ZINC000641809613 372756981 /nfs/dbraw/zinc/75/69/81/372756981.db2.gz XFWCWOHIBLNKEW-HJIKLVIJSA-N 2 1 297.349 2.007 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000641796654 372735797 /nfs/dbraw/zinc/73/57/97/372735797.db2.gz GMNBXIFJOKBZKG-JQWIXIFHSA-N 2 1 251.374 2.105 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000641796654 372735808 /nfs/dbraw/zinc/73/58/08/372735808.db2.gz GMNBXIFJOKBZKG-JQWIXIFHSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1nc(C)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000641797251 372736613 /nfs/dbraw/zinc/73/66/13/372736613.db2.gz ZFFXSKXTOBWANE-JQWIXIFHSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000641797251 372736617 /nfs/dbraw/zinc/73/66/17/372736617.db2.gz ZFFXSKXTOBWANE-JQWIXIFHSA-N 2 1 251.374 2.105 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccncc2)CC[N@H+]1C ZINC000344610774 217246857 /nfs/dbraw/zinc/24/68/57/217246857.db2.gz BBMGITZXISXZQC-XJKSGUPXSA-N 2 1 299.422 2.054 20 0 CEADMP C[C@H](CCN[C@H]1C[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000344608952 217248136 /nfs/dbraw/zinc/24/81/36/217248136.db2.gz HENBMMXLFUTDQZ-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CCN[C@H]1C[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000344608952 217248138 /nfs/dbraw/zinc/24/81/38/217248138.db2.gz HENBMMXLFUTDQZ-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CCN[C@H]1C[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000344608952 217248141 /nfs/dbraw/zinc/24/81/41/217248141.db2.gz HENBMMXLFUTDQZ-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CC[NH2+][C@H]1CN(C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000344608952 217248143 /nfs/dbraw/zinc/24/81/43/217248143.db2.gz HENBMMXLFUTDQZ-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CC[NH2+][C@H]1CN(C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000344608952 217248146 /nfs/dbraw/zinc/24/81/46/217248146.db2.gz HENBMMXLFUTDQZ-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP COCCSCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365340998 372832268 /nfs/dbraw/zinc/83/22/68/372832268.db2.gz CLOMYBRCZALNML-AWEZNQCLSA-N 2 1 274.474 2.172 20 0 CEADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000353454341 220093069 /nfs/dbraw/zinc/09/30/69/220093069.db2.gz UVOKSNYXNVABJQ-JKSUJKDBSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000365553964 372890223 /nfs/dbraw/zinc/89/02/23/372890223.db2.gz IQROYEJFFPOIGW-CZUORRHYSA-N 2 1 277.412 2.471 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000365553964 372890229 /nfs/dbraw/zinc/89/02/29/372890229.db2.gz IQROYEJFFPOIGW-CZUORRHYSA-N 2 1 277.412 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000270700786 372909162 /nfs/dbraw/zinc/90/91/62/372909162.db2.gz XVGJSDLPZYQIFW-CQSZACIVSA-N 2 1 273.384 2.184 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000270700786 372909168 /nfs/dbraw/zinc/90/91/68/372909168.db2.gz XVGJSDLPZYQIFW-CQSZACIVSA-N 2 1 273.384 2.184 20 0 CEADMP CCO[C@@H]1CCC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000643057189 372936760 /nfs/dbraw/zinc/93/67/60/372936760.db2.gz WYDFXRFICQFJQZ-NVXWUHKLSA-N 2 1 292.423 2.238 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000353499721 220121666 /nfs/dbraw/zinc/12/16/66/220121666.db2.gz HCCAYERQVRHDCC-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000353499721 220121669 /nfs/dbraw/zinc/12/16/69/220121669.db2.gz HCCAYERQVRHDCC-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000353499721 220121670 /nfs/dbraw/zinc/12/16/70/220121670.db2.gz HCCAYERQVRHDCC-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000366160689 372994569 /nfs/dbraw/zinc/99/45/69/372994569.db2.gz AGQKDTNJLCTOOQ-ZJPYXAASSA-N 2 1 291.483 2.277 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000366160689 372994573 /nfs/dbraw/zinc/99/45/73/372994573.db2.gz AGQKDTNJLCTOOQ-ZJPYXAASSA-N 2 1 291.483 2.277 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000366160689 372994580 /nfs/dbraw/zinc/99/45/80/372994580.db2.gz AGQKDTNJLCTOOQ-ZJPYXAASSA-N 2 1 291.483 2.277 20 0 CEADMP C([NH2+][C@@H]1CCCC12CCOCC2)[C@@H]1CCCC[NH2+]1 ZINC000643502828 373161957 /nfs/dbraw/zinc/16/19/57/373161957.db2.gz SPPYRNYSUFOWJY-UONOGXRCSA-N 2 1 252.402 2.067 20 0 CEADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367631806 373167488 /nfs/dbraw/zinc/16/74/88/373167488.db2.gz FOWQATDRXLYKQW-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367631806 373167496 /nfs/dbraw/zinc/16/74/96/373167496.db2.gz FOWQATDRXLYKQW-XHSDSOJGSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367631806 373167501 /nfs/dbraw/zinc/16/75/01/373167501.db2.gz FOWQATDRXLYKQW-XHSDSOJGSA-N 3 1 267.461 2.181 20 0 CEADMP COc1cccc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1OC ZINC000643451197 373121699 /nfs/dbraw/zinc/12/16/99/373121699.db2.gz AFLIFXRPWFEEAM-UKRRQHHQSA-N 2 1 292.423 2.367 20 0 CEADMP CC[C@@H]([NH2+][C@H]1COc2c(cccc2OC)C1)[C@@H]1CCC[NH2+]1 ZINC000643452066 373123857 /nfs/dbraw/zinc/12/38/57/373123857.db2.gz VHQQDHCBMYPDHC-KFWWJZLASA-N 2 1 290.407 2.119 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462743 373130661 /nfs/dbraw/zinc/13/06/61/373130661.db2.gz JJZKSJQCHGHUJK-QGTPRVQTSA-N 2 1 287.451 2.019 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000643478078 373145651 /nfs/dbraw/zinc/14/56/51/373145651.db2.gz WAZUGUOGYSODFO-JKIFEVAISA-N 2 1 258.409 2.379 20 0 CEADMP COc1ccccc1C[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271912468 373210934 /nfs/dbraw/zinc/21/09/34/373210934.db2.gz YFJSGYVCUVQUSH-CQSZACIVSA-N 2 1 274.408 2.478 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)[C@@H]1C ZINC000353567616 220162337 /nfs/dbraw/zinc/16/23/37/220162337.db2.gz HAHPCLGGWLMHLY-KBXIAJHMSA-N 2 1 284.444 2.283 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)[C@@H]1C ZINC000353567616 220162338 /nfs/dbraw/zinc/16/23/38/220162338.db2.gz HAHPCLGGWLMHLY-KBXIAJHMSA-N 2 1 284.444 2.283 20 0 CEADMP CCOc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1OCC ZINC000643526103 373183228 /nfs/dbraw/zinc/18/32/28/373183228.db2.gz PDYXGKHQCQLVBP-RYUDHWBXSA-N 2 1 266.385 2.482 20 0 CEADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1OCC ZINC000643526101 373183362 /nfs/dbraw/zinc/18/33/62/373183362.db2.gz PDYXGKHQCQLVBP-NEPJUHHUSA-N 2 1 266.385 2.482 20 0 CEADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1OC ZINC000643528708 373187028 /nfs/dbraw/zinc/18/70/28/373187028.db2.gz NIMOYFDKXSPFSH-WDEREUQCSA-N 2 1 252.358 2.010 20 0 CEADMP CC[C@](C)(CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000272170473 373338659 /nfs/dbraw/zinc/33/86/59/373338659.db2.gz WHNLMGLONGRUTL-QGZVFWFLSA-N 2 1 276.424 2.402 20 0 CEADMP COC[C@@H]1CCCC[N@@H+](CCCn2ccnc2C)C1 ZINC000369253912 373369855 /nfs/dbraw/zinc/36/98/55/373369855.db2.gz AGQDLJXIXMUZKG-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP COC[C@@H]1CCCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000369253912 373369859 /nfs/dbraw/zinc/36/98/59/373369859.db2.gz AGQDLJXIXMUZKG-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP COC[C@@H]1CCCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000369253912 373369870 /nfs/dbraw/zinc/36/98/70/373369870.db2.gz AGQDLJXIXMUZKG-OAHLLOKOSA-N 2 1 265.401 2.330 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccccc21)C1CC1 ZINC000644602537 373553968 /nfs/dbraw/zinc/55/39/68/373553968.db2.gz DCRJKEUHFMAYQP-RHSMWYFYSA-N 2 1 288.435 2.454 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccccc21)C1CC1 ZINC000644602537 373553974 /nfs/dbraw/zinc/55/39/74/373553974.db2.gz DCRJKEUHFMAYQP-RHSMWYFYSA-N 2 1 288.435 2.454 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000247183737 220219768 /nfs/dbraw/zinc/21/97/68/220219768.db2.gz VKCPUHIMZSMMRQ-GUYCJALGSA-N 2 1 289.423 2.465 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000247183737 220219772 /nfs/dbraw/zinc/21/97/72/220219772.db2.gz VKCPUHIMZSMMRQ-GUYCJALGSA-N 2 1 289.423 2.465 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000370203560 373604547 /nfs/dbraw/zinc/60/45/47/373604547.db2.gz INABMBNRZBDFBB-HZPDHXFCSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1cccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1C ZINC000289548542 197398419 /nfs/dbraw/zinc/39/84/19/197398419.db2.gz OQXCECHMKQKPCO-ZBFHGGJFSA-N 2 1 276.424 2.409 20 0 CEADMP Cc1cccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1C ZINC000289548542 197398421 /nfs/dbraw/zinc/39/84/21/197398421.db2.gz OQXCECHMKQKPCO-ZBFHGGJFSA-N 2 1 276.424 2.409 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000371205402 373811112 /nfs/dbraw/zinc/81/11/12/373811112.db2.gz RMTLXXDDVHMLPE-HOCLYGCPSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000371205402 373811116 /nfs/dbraw/zinc/81/11/16/373811116.db2.gz RMTLXXDDVHMLPE-HOCLYGCPSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000371205402 373811120 /nfs/dbraw/zinc/81/11/20/373811120.db2.gz RMTLXXDDVHMLPE-HOCLYGCPSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000371205402 373811128 /nfs/dbraw/zinc/81/11/28/373811128.db2.gz RMTLXXDDVHMLPE-HOCLYGCPSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1nc(C(C)C)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000645078524 373841651 /nfs/dbraw/zinc/84/16/51/373841651.db2.gz QZNGRHAIQKNZTO-HUUCEWRRSA-N 2 1 259.397 2.165 20 0 CEADMP Cc1[nH]c2ncnc(N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)c2c1C ZINC000645193705 373909624 /nfs/dbraw/zinc/90/96/24/373909624.db2.gz IXQUKTYFKRRUCN-KBPBESRZSA-N 2 1 299.422 2.495 20 0 CEADMP CCc1ccc([C@H](C)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)o1 ZINC000372064687 374035083 /nfs/dbraw/zinc/03/50/83/374035083.db2.gz IBHYHBGVUPAPSW-GUTXKFCHSA-N 2 1 278.396 2.356 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@@H](NCCC[NH+]2CCC(C)CC2)C1 ZINC000343113856 220248762 /nfs/dbraw/zinc/24/87/62/220248762.db2.gz ZSMQOVHJXVUZIK-CVEARBPZSA-N 2 1 267.461 2.038 20 0 CEADMP C[N@H+](Cc1cc[nH]c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000372413108 374120628 /nfs/dbraw/zinc/12/06/28/374120628.db2.gz GPQPDPPAJIAJME-UHFFFAOYSA-N 2 1 277.412 2.090 20 0 CEADMP C[N@@H+](Cc1cc[nH]c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000372413108 374120636 /nfs/dbraw/zinc/12/06/36/374120636.db2.gz GPQPDPPAJIAJME-UHFFFAOYSA-N 2 1 277.412 2.090 20 0 CEADMP Cn1cncc1C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000372348900 374104755 /nfs/dbraw/zinc/10/47/55/374104755.db2.gz NVDZTWDPECDEKG-HNNXBMFYSA-N 2 1 275.327 2.213 20 0 CEADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc(OC)c1 ZINC000275084149 374150051 /nfs/dbraw/zinc/15/00/51/374150051.db2.gz ZASIBBXFURBQSC-DYVFJYSZSA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc(OC)c1 ZINC000275084149 374150056 /nfs/dbraw/zinc/15/00/56/374150056.db2.gz ZASIBBXFURBQSC-DYVFJYSZSA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc(OC)c1 ZINC000275084149 374150062 /nfs/dbraw/zinc/15/00/62/374150062.db2.gz ZASIBBXFURBQSC-DYVFJYSZSA-N 2 1 292.423 2.476 20 0 CEADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc(OC)c1 ZINC000275084149 374150066 /nfs/dbraw/zinc/15/00/66/374150066.db2.gz ZASIBBXFURBQSC-DYVFJYSZSA-N 2 1 292.423 2.476 20 0 CEADMP CCC(CC)C[N@H+]1CCCN(Cc2nccn2C)CC1 ZINC000372841860 374211504 /nfs/dbraw/zinc/21/15/04/374211504.db2.gz UVQJXSPOTSWMFW-UHFFFAOYSA-N 2 1 278.444 2.364 20 0 CEADMP COC(=O)[C@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC12CCC2 ZINC000373148928 374279929 /nfs/dbraw/zinc/27/99/29/374279929.db2.gz BGASLRZIYAVILP-HUUCEWRRSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CC12CCC2 ZINC000373148928 374279938 /nfs/dbraw/zinc/27/99/38/374279938.db2.gz BGASLRZIYAVILP-HUUCEWRRSA-N 2 1 294.439 2.136 20 0 CEADMP CN1CC[C@H]2CC[N@H+](CCOc3ccc(F)cc3)[C@H]2C1 ZINC000373140341 374277459 /nfs/dbraw/zinc/27/74/59/374277459.db2.gz OJQBCVADZONRHZ-BBRMVZONSA-N 2 1 278.371 2.231 20 0 CEADMP CN1CC[C@H]2CC[N@@H+](CCOc3ccc(F)cc3)[C@H]2C1 ZINC000373140341 374277466 /nfs/dbraw/zinc/27/74/66/374277466.db2.gz OJQBCVADZONRHZ-BBRMVZONSA-N 2 1 278.371 2.231 20 0 CEADMP COCCSCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000373244050 374304209 /nfs/dbraw/zinc/30/42/09/374304209.db2.gz JZSQWBMKVBRSJM-UHFFFAOYSA-N 2 1 286.485 2.316 20 0 CEADMP COCCSCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000373244050 374304211 /nfs/dbraw/zinc/30/42/11/374304211.db2.gz JZSQWBMKVBRSJM-UHFFFAOYSA-N 2 1 286.485 2.316 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ncc[nH]1 ZINC000373342779 374332259 /nfs/dbraw/zinc/33/22/59/374332259.db2.gz CPQXVEZTMWPERA-YCPHGPKFSA-N 2 1 299.422 2.366 20 0 CEADMP Cc1c[nH+]ccc1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000373518353 374372893 /nfs/dbraw/zinc/37/28/93/374372893.db2.gz CRWVMBNROKZDFR-WMLDXEAASA-N 2 1 299.422 2.040 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccsc2)CCN1C1CC[NH+](C)CC1 ZINC000334146156 206078668 /nfs/dbraw/zinc/07/86/68/206078668.db2.gz BMZASUUIUDOWMK-CQSZACIVSA-N 2 1 293.480 2.348 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccsc2)CCN1C1CC[NH+](C)CC1 ZINC000334146156 206078672 /nfs/dbraw/zinc/07/86/72/206078672.db2.gz BMZASUUIUDOWMK-CQSZACIVSA-N 2 1 293.480 2.348 20 0 CEADMP C[C@@H](c1cnccn1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074460 374482450 /nfs/dbraw/zinc/48/24/50/374482450.db2.gz KSBGPLOQPGHCLW-AWEZNQCLSA-N 2 1 274.412 2.345 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000374192565 374508021 /nfs/dbraw/zinc/50/80/21/374508021.db2.gz HBNXUNWNPUQSEO-HZPDHXFCSA-N 2 1 276.428 2.489 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000374192565 374508028 /nfs/dbraw/zinc/50/80/28/374508028.db2.gz HBNXUNWNPUQSEO-HZPDHXFCSA-N 2 1 276.428 2.489 20 0 CEADMP Cn1cnc2cc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)ccc21 ZINC000277544290 374560083 /nfs/dbraw/zinc/56/00/83/374560083.db2.gz QMAIFJQMNGZQDD-HNNXBMFYSA-N 2 1 286.423 2.489 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)ccc21 ZINC000277544290 374560086 /nfs/dbraw/zinc/56/00/86/374560086.db2.gz QMAIFJQMNGZQDD-HNNXBMFYSA-N 2 1 286.423 2.489 20 0 CEADMP CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000374460458 374577966 /nfs/dbraw/zinc/57/79/66/374577966.db2.gz HJLQKTMTVFVERB-ZIAGYGMSSA-N 2 1 292.427 2.297 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000377191003 374811534 /nfs/dbraw/zinc/81/15/34/374811534.db2.gz ZQWMBMRFPHBYIO-GFCCVEGCSA-N 2 1 287.367 2.060 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000377191003 374811540 /nfs/dbraw/zinc/81/15/40/374811540.db2.gz ZQWMBMRFPHBYIO-GFCCVEGCSA-N 2 1 287.367 2.060 20 0 CEADMP CC(C)[C@@](C)(O)C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000377262864 374825657 /nfs/dbraw/zinc/82/56/57/374825657.db2.gz SJHBYSJIXOMPKF-HIFRSBDPSA-N 2 1 265.401 2.007 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000278463184 374826521 /nfs/dbraw/zinc/82/65/21/374826521.db2.gz YEYPOIQFQFGKEH-UHFFFAOYSA-N 2 1 251.349 2.105 20 0 CEADMP O=C(Nc1ccn2ccnc2c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377811965 374956855 /nfs/dbraw/zinc/95/68/55/374956855.db2.gz RBELJZWRNSVFQP-OCCSQVGLSA-N 2 1 299.378 2.083 20 0 CEADMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1O ZINC000377833054 374960015 /nfs/dbraw/zinc/96/00/15/374960015.db2.gz DCBVUZDTQNJXOH-GJZGRUSLSA-N 2 1 290.407 2.317 20 0 CEADMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1O ZINC000377833054 374960022 /nfs/dbraw/zinc/96/00/22/374960022.db2.gz DCBVUZDTQNJXOH-GJZGRUSLSA-N 2 1 290.407 2.317 20 0 CEADMP c1ccc2c(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)ccnc2c1 ZINC000380274305 375161794 /nfs/dbraw/zinc/16/17/94/375161794.db2.gz YSTAKOHHDPUIDP-QGZVFWFLSA-N 2 1 267.376 2.420 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)Cn1ccnc1-c1ccccc1 ZINC000383690853 375204644 /nfs/dbraw/zinc/20/46/44/375204644.db2.gz ALWOUBYWRMCIBZ-OAHLLOKOSA-N 2 1 273.380 2.251 20 0 CEADMP C[N@@H+](CCCOc1ccc(F)cc1)C1CC([NH3+])C1 ZINC000384775134 375217298 /nfs/dbraw/zinc/21/72/98/375217298.db2.gz SMYVKKZIEHTDSA-UHFFFAOYSA-N 2 1 252.333 2.016 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(C)CCCCC1)C1CC1 ZINC000386197222 375254928 /nfs/dbraw/zinc/25/49/28/375254928.db2.gz WBKRIIPOLBVUDN-AWEZNQCLSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(C)CCCCC1)C1CC1 ZINC000386197222 375254930 /nfs/dbraw/zinc/25/49/30/375254930.db2.gz WBKRIIPOLBVUDN-AWEZNQCLSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000388685109 375295122 /nfs/dbraw/zinc/29/51/22/375295122.db2.gz RKDWZUWHYNLBDL-GJZGRUSLSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000389867576 375307119 /nfs/dbraw/zinc/30/71/19/375307119.db2.gz MRVLEVBXZFQFRH-SPUZQDLCSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000389867576 375307124 /nfs/dbraw/zinc/30/71/24/375307124.db2.gz MRVLEVBXZFQFRH-SPUZQDLCSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000389866492 375308332 /nfs/dbraw/zinc/30/83/32/375308332.db2.gz LXOUIFKLKIEYEG-KBAYOESNSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000389866492 375308337 /nfs/dbraw/zinc/30/83/37/375308337.db2.gz LXOUIFKLKIEYEG-KBAYOESNSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000389867574 375308618 /nfs/dbraw/zinc/30/86/18/375308618.db2.gz MRVLEVBXZFQFRH-BGTYHANMSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000389867574 375308623 /nfs/dbraw/zinc/30/86/23/375308623.db2.gz MRVLEVBXZFQFRH-BGTYHANMSA-N 2 1 287.451 2.366 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)C1 ZINC000389952056 375310391 /nfs/dbraw/zinc/31/03/91/375310391.db2.gz XIWFMMUHJIVNRP-JKSUJKDBSA-N 2 1 284.407 2.291 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389938893 375310711 /nfs/dbraw/zinc/31/07/11/375310711.db2.gz OVFBFZGNCPRMMM-WBVHZDCISA-N 2 1 284.407 2.148 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(F)cc2F)CC1 ZINC000392264181 375322652 /nfs/dbraw/zinc/32/26/52/375322652.db2.gz LMZLQQCNVMPCNP-UHFFFAOYSA-N 2 1 252.308 2.316 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]Cc2cccc(Cl)c2)CC1(C)C ZINC000282342842 375461166 /nfs/dbraw/zinc/46/11/66/375461166.db2.gz MFGNEHRVLSBTJG-UHFFFAOYSA-N 2 1 295.858 2.456 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000412406890 375549767 /nfs/dbraw/zinc/54/97/67/375549767.db2.gz BXJZILNCYQSTNS-HUUCEWRRSA-N 2 1 283.460 2.094 20 0 CEADMP CC[N@H+]1CCN(c2cc[nH+]c3c(O)cccc23)C[C@@H]1C ZINC000684580003 542037959 /nfs/dbraw/zinc/03/79/59/542037959.db2.gz UJLMPAJTUPYNEM-LBPRGKRZSA-N 2 1 271.364 2.471 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000414254313 375805706 /nfs/dbraw/zinc/80/57/06/375805706.db2.gz ZWPSWYRJSCCAQI-TUUVXOQKSA-N 2 1 266.429 2.406 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@H](C)CC(F)(F)F)CC1 ZINC000414260735 375807859 /nfs/dbraw/zinc/80/78/59/375807859.db2.gz GOLOZBSAPCCYNW-LLVKDONJSA-N 2 1 282.350 2.275 20 0 CEADMP COc1ncc([C@@H](C)NC[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000284134744 375815469 /nfs/dbraw/zinc/81/54/69/375815469.db2.gz CZFWYZACYALFAG-ZYHUDNBSSA-N 2 1 283.803 2.488 20 0 CEADMP C[NH2+][C@@H](C)Cc1noc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000414644357 375896410 /nfs/dbraw/zinc/89/64/10/375896410.db2.gz MEZFCYOVSQRVAE-AAEUAGOBSA-N 2 1 278.400 2.300 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)CC12CCOCC2 ZINC000414776365 375961019 /nfs/dbraw/zinc/96/10/19/375961019.db2.gz HDDZKXRZDOMAQS-DANOYGIBSA-N 2 1 286.419 2.387 20 0 CEADMP C[N@H+](Cc1c[nH]nc1-c1ccsc1)C1CC([NH3+])C1 ZINC000414779574 375963903 /nfs/dbraw/zinc/96/39/03/375963903.db2.gz RSQJLANFQRFYMW-UHFFFAOYSA-N 2 1 262.382 2.060 20 0 CEADMP C[N@@H+](Cc1c[nH]nc1-c1ccsc1)C1CC([NH3+])C1 ZINC000414779574 375963908 /nfs/dbraw/zinc/96/39/08/375963908.db2.gz RSQJLANFQRFYMW-UHFFFAOYSA-N 2 1 262.382 2.060 20 0 CEADMP CCOc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1OCC ZINC000414781678 375965560 /nfs/dbraw/zinc/96/55/60/375965560.db2.gz WBPJHRXRZZEILR-UHFFFAOYSA-N 2 1 278.396 2.406 20 0 CEADMP CCOc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1OCC ZINC000414781678 375965566 /nfs/dbraw/zinc/96/55/66/375965566.db2.gz WBPJHRXRZZEILR-UHFFFAOYSA-N 2 1 278.396 2.406 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1Cl ZINC000414794818 375977016 /nfs/dbraw/zinc/97/70/16/375977016.db2.gz MFUBOJBRLZZGLP-LBPRGKRZSA-N 2 1 256.777 2.422 20 0 CEADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1nccn1CC(F)(F)F ZINC000414794502 375977457 /nfs/dbraw/zinc/97/74/57/375977457.db2.gz FVIPLUNPGSLIQM-GHMZBOCLSA-N 2 1 290.333 2.053 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414679160 375913542 /nfs/dbraw/zinc/91/35/42/375913542.db2.gz LFMFBINDTXRCOZ-LSDHHAIUSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)N1CCC([N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414679160 375913548 /nfs/dbraw/zinc/91/35/48/375913548.db2.gz LFMFBINDTXRCOZ-LSDHHAIUSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)N1CCC([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414679160 375913553 /nfs/dbraw/zinc/91/35/53/375913553.db2.gz LFMFBINDTXRCOZ-LSDHHAIUSA-N 2 1 267.461 2.179 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414678492 375913785 /nfs/dbraw/zinc/91/37/85/375913785.db2.gz YLLONAXEDGECFI-CABCVRRESA-N 2 1 289.423 2.253 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)C1CC1 ZINC000414794231 375978234 /nfs/dbraw/zinc/97/82/34/375978234.db2.gz FLUKKIKKDMMHEA-SJORKVTESA-N 2 1 290.407 2.071 20 0 CEADMP [NH3+]CCC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000414689477 375919104 /nfs/dbraw/zinc/91/91/04/375919104.db2.gz GLBMQOWOJBXDCS-OAHLLOKOSA-N 2 1 266.360 2.156 20 0 CEADMP [NH3+]CCC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000414689477 375919109 /nfs/dbraw/zinc/91/91/09/375919109.db2.gz GLBMQOWOJBXDCS-OAHLLOKOSA-N 2 1 266.360 2.156 20 0 CEADMP CC(C)(C)C[C@@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695408 375924548 /nfs/dbraw/zinc/92/45/48/375924548.db2.gz UPZAUYYJYKXQDL-GJZGRUSLSA-N 2 1 295.471 2.084 20 0 CEADMP Cc1cnc(CC[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414704712 375932843 /nfs/dbraw/zinc/93/28/43/375932843.db2.gz KTXPRPBTBVYMFX-WCQYABFASA-N 2 1 267.442 2.314 20 0 CEADMP CC(C)N(CC[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000414715571 375937148 /nfs/dbraw/zinc/93/71/48/375937148.db2.gz RCVQRLBTTRUUDL-HOTGVXAUSA-N 2 1 269.477 2.425 20 0 CEADMP CC(C)N(CC[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000414715571 375937153 /nfs/dbraw/zinc/93/71/53/375937153.db2.gz RCVQRLBTTRUUDL-HOTGVXAUSA-N 2 1 269.477 2.425 20 0 CEADMP [NH3+]CCC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000414731873 375940854 /nfs/dbraw/zinc/94/08/54/375940854.db2.gz CAJZRYUKLOHYLV-ZDUSSCGKSA-N 2 1 264.344 2.069 20 0 CEADMP [NH3+]CCC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000414731873 375940860 /nfs/dbraw/zinc/94/08/60/375940860.db2.gz CAJZRYUKLOHYLV-ZDUSSCGKSA-N 2 1 264.344 2.069 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000414753187 375951644 /nfs/dbraw/zinc/95/16/44/375951644.db2.gz DIMUXTOYGAWVOY-BFHYXJOUSA-N 2 1 256.434 2.089 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000414753187 375951646 /nfs/dbraw/zinc/95/16/46/375951646.db2.gz DIMUXTOYGAWVOY-BFHYXJOUSA-N 2 1 256.434 2.089 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000414808610 375995541 /nfs/dbraw/zinc/99/55/41/375995541.db2.gz FMJOHCYAYYDUOE-CYBMUJFWSA-N 2 1 264.369 2.065 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1Br ZINC000414813751 375999145 /nfs/dbraw/zinc/99/91/45/375999145.db2.gz YQJQLJZTDAMXTD-LBPRGKRZSA-N 2 1 299.212 2.285 20 0 CEADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414814299 376001526 /nfs/dbraw/zinc/00/15/26/376001526.db2.gz RMVAFHUBUVYUMO-SMDDNHRTSA-N 2 1 276.380 2.063 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CC2(C)COC2)c1 ZINC000286693114 376038455 /nfs/dbraw/zinc/03/84/55/376038455.db2.gz VZFQHFIDJOETSV-UHFFFAOYSA-N 2 1 262.397 2.264 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000414797407 375983386 /nfs/dbraw/zinc/98/33/86/375983386.db2.gz CZAUSHUNPIXGLZ-UHFFFAOYSA-N 2 1 284.787 2.328 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000414801050 375984747 /nfs/dbraw/zinc/98/47/47/375984747.db2.gz SYTZTXXSWOVJNS-ZDUSSCGKSA-N 2 1 272.339 2.403 20 0 CEADMP CCc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000287656800 376285649 /nfs/dbraw/zinc/28/56/49/376285649.db2.gz VEYORRWZIJBRLO-KZNAEPCWSA-N 2 1 288.435 2.499 20 0 CEADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOCC2CCC2)C1 ZINC000419216109 376398215 /nfs/dbraw/zinc/39/82/15/376398215.db2.gz NJRZNOZLIBHZLG-QGZVFWFLSA-N 2 1 280.456 2.467 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOCC2CCC2)C1 ZINC000419216109 376398217 /nfs/dbraw/zinc/39/82/17/376398217.db2.gz NJRZNOZLIBHZLG-QGZVFWFLSA-N 2 1 280.456 2.467 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC000419216109 376398218 /nfs/dbraw/zinc/39/82/18/376398218.db2.gz NJRZNOZLIBHZLG-QGZVFWFLSA-N 2 1 280.456 2.467 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOCC2CCC2)C1 ZINC000419216109 376398220 /nfs/dbraw/zinc/39/82/20/376398220.db2.gz NJRZNOZLIBHZLG-QGZVFWFLSA-N 2 1 280.456 2.467 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1)C1CC1 ZINC000289727202 376465597 /nfs/dbraw/zinc/46/55/97/376465597.db2.gz HGWHTOSETVHVKF-ZWKOTPCHSA-N 2 1 288.435 2.149 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1)C1CC1 ZINC000289727202 376465610 /nfs/dbraw/zinc/46/56/10/376465610.db2.gz HGWHTOSETVHVKF-ZWKOTPCHSA-N 2 1 288.435 2.149 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1)C1CC1 ZINC000289727202 376465619 /nfs/dbraw/zinc/46/56/19/376465619.db2.gz HGWHTOSETVHVKF-ZWKOTPCHSA-N 2 1 288.435 2.149 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1)C1CC1 ZINC000289727202 376465628 /nfs/dbraw/zinc/46/56/28/376465628.db2.gz HGWHTOSETVHVKF-ZWKOTPCHSA-N 2 1 288.435 2.149 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)[C@H]1SC ZINC000556787340 376489125 /nfs/dbraw/zinc/48/91/25/376489125.db2.gz KCBFOENLCHKQGU-LXTVHRRPSA-N 2 1 286.485 2.215 20 0 CEADMP COCCC1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000419738028 376490910 /nfs/dbraw/zinc/49/09/10/376490910.db2.gz YSNBLKXWMGVPDX-ZIAGYGMSSA-N 2 1 252.402 2.162 20 0 CEADMP Cc1cn[nH]c1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000289894486 376550303 /nfs/dbraw/zinc/55/03/03/376550303.db2.gz NBCDLSZBNXNNRM-UHFFFAOYSA-N 2 1 258.369 2.070 20 0 CEADMP Cc1c[nH]nc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000289894486 376550312 /nfs/dbraw/zinc/55/03/12/376550312.db2.gz NBCDLSZBNXNNRM-UHFFFAOYSA-N 2 1 258.369 2.070 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000558293313 376599622 /nfs/dbraw/zinc/59/96/22/376599622.db2.gz IYLHRWYEMBEYFK-CWVYHPPDSA-N 2 1 268.445 2.103 20 0 CEADMP CC(C)c1cc(N2CCC[C@@H](C)[C@@H]2C[NH3+])nc(N(C)C)[nH+]1 ZINC000420179849 376593089 /nfs/dbraw/zinc/59/30/89/376593089.db2.gz CJJGGVNHCFKARS-OCCSQVGLSA-N 2 1 291.443 2.230 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000310018478 376612423 /nfs/dbraw/zinc/61/24/23/376612423.db2.gz PTUHHHJRZFOOEY-MRXNPFEDSA-N 2 1 262.397 2.264 20 0 CEADMP CC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310022224 376613617 /nfs/dbraw/zinc/61/36/17/376613617.db2.gz SIDJGASGZRIOMK-KZNAEPCWSA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310022224 376613619 /nfs/dbraw/zinc/61/36/19/376613619.db2.gz SIDJGASGZRIOMK-KZNAEPCWSA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310022224 376613623 /nfs/dbraw/zinc/61/36/23/376613623.db2.gz SIDJGASGZRIOMK-KZNAEPCWSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1nccs1 ZINC000310757239 376635160 /nfs/dbraw/zinc/63/51/60/376635160.db2.gz LQOJIUVVZFBKAW-NSHDSACASA-N 2 1 265.426 2.463 20 0 CEADMP Fc1ccc(OCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000312755036 376727274 /nfs/dbraw/zinc/72/72/74/376727274.db2.gz WOOQZZPTDBSRTF-ZIAGYGMSSA-N 2 1 278.371 2.136 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000311875886 376690764 /nfs/dbraw/zinc/69/07/64/376690764.db2.gz ATVSLKYJDPNFMZ-HNNXBMFYSA-N 2 1 266.360 2.265 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)ccn1 ZINC000559893632 376700214 /nfs/dbraw/zinc/70/02/14/376700214.db2.gz HKNJFSNKPYUFEX-KGLIPLIRSA-N 2 1 277.412 2.473 20 0 CEADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(O)cc(F)c2)C1 ZINC000290452389 376784821 /nfs/dbraw/zinc/78/48/21/376784821.db2.gz MKDDKDMPZHFYHL-CZUORRHYSA-N 2 1 278.371 2.447 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(O)cc(F)c2)C1 ZINC000290452389 376784826 /nfs/dbraw/zinc/78/48/26/376784826.db2.gz MKDDKDMPZHFYHL-CZUORRHYSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(O)cc(F)c2)C1 ZINC000290452389 376784832 /nfs/dbraw/zinc/78/48/32/376784832.db2.gz MKDDKDMPZHFYHL-CZUORRHYSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(O)cc(F)c2)C1 ZINC000290452389 376784838 /nfs/dbraw/zinc/78/48/38/376784838.db2.gz MKDDKDMPZHFYHL-CZUORRHYSA-N 2 1 278.371 2.447 20 0 CEADMP C[C@H]1CCC[C@@](C[NH2+]CCCc2cnn(C)c2)([NH+](C)C)C1 ZINC000314968431 376790468 /nfs/dbraw/zinc/79/04/68/376790468.db2.gz WGXDINDVZYDITN-DOTOQJQBSA-N 2 1 292.471 2.453 20 0 CEADMP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000280472211 542131512 /nfs/dbraw/zinc/13/15/12/542131512.db2.gz CTCSTTUWOBUMPT-CVEARBPZSA-N 2 1 259.397 2.149 20 0 CEADMP CCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000685470273 542147401 /nfs/dbraw/zinc/14/74/01/542147401.db2.gz CZDBPUCSIKVPFT-BBRMVZONSA-N 2 1 261.413 2.416 20 0 CEADMP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000685470273 542147404 /nfs/dbraw/zinc/14/74/04/542147404.db2.gz CZDBPUCSIKVPFT-BBRMVZONSA-N 2 1 261.413 2.416 20 0 CEADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000685470273 542147408 /nfs/dbraw/zinc/14/74/08/542147408.db2.gz CZDBPUCSIKVPFT-BBRMVZONSA-N 2 1 261.413 2.416 20 0 CEADMP CCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000685470273 542147411 /nfs/dbraw/zinc/14/74/11/542147411.db2.gz CZDBPUCSIKVPFT-BBRMVZONSA-N 2 1 261.413 2.416 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422975320 376898599 /nfs/dbraw/zinc/89/85/99/376898599.db2.gz SKXHMQFXTPGODT-COXVUDFISA-N 3 1 273.424 2.453 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422979931 376902674 /nfs/dbraw/zinc/90/26/74/376902674.db2.gz NXNCUMRKJXBRIL-ILXRZTDVSA-N 2 1 256.434 2.294 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(Br)s1)C1C[NH2+]C1 ZINC000422940341 376869338 /nfs/dbraw/zinc/86/93/38/376869338.db2.gz MZOGYLIQGSXCDK-ZETCQYMHSA-N 2 1 275.215 2.208 20 0 CEADMP CC[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422955417 376879231 /nfs/dbraw/zinc/87/92/31/376879231.db2.gz JGWDMBQRARGBFV-CABCVRRESA-N 2 1 284.350 2.464 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1ccco1 ZINC000422961359 376886544 /nfs/dbraw/zinc/88/65/44/376886544.db2.gz BLUBYOHQQSTCEE-BFHYXJOUSA-N 2 1 265.401 2.132 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCCC[N@H+](C)C(C)C ZINC000422960982 376887670 /nfs/dbraw/zinc/88/76/70/376887670.db2.gz AHVIKEOLPAUYIF-CYBMUJFWSA-N 2 1 278.444 2.230 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000422960982 376887679 /nfs/dbraw/zinc/88/76/79/376887679.db2.gz AHVIKEOLPAUYIF-CYBMUJFWSA-N 3 1 278.444 2.230 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000422960982 376887684 /nfs/dbraw/zinc/88/76/84/376887684.db2.gz AHVIKEOLPAUYIF-CYBMUJFWSA-N 3 1 278.444 2.230 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000562441957 376895605 /nfs/dbraw/zinc/89/56/05/376895605.db2.gz JCQKOFLHUKTMKJ-IKGGRYGDSA-N 2 1 290.451 2.485 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000562441957 376895614 /nfs/dbraw/zinc/89/56/14/376895614.db2.gz JCQKOFLHUKTMKJ-IKGGRYGDSA-N 2 1 290.451 2.485 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@H]1c1cccc(F)c1 ZINC000562479394 376906820 /nfs/dbraw/zinc/90/68/20/376906820.db2.gz ZROLFODIVHIEOX-HOTGVXAUSA-N 2 1 280.387 2.275 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000422986851 376908385 /nfs/dbraw/zinc/90/83/85/376908385.db2.gz DLZOKROJDAQXRP-UKRRQHHQSA-N 2 1 290.407 2.326 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422996513 376912701 /nfs/dbraw/zinc/91/27/01/376912701.db2.gz MJUFXDPOEAQQBU-OAGGEKHMSA-N 2 1 267.461 2.071 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422996513 376912713 /nfs/dbraw/zinc/91/27/13/376912713.db2.gz MJUFXDPOEAQQBU-OAGGEKHMSA-N 3 1 267.461 2.071 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422996513 376912723 /nfs/dbraw/zinc/91/27/23/376912723.db2.gz MJUFXDPOEAQQBU-OAGGEKHMSA-N 3 1 267.461 2.071 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422997337 376914675 /nfs/dbraw/zinc/91/46/75/376914675.db2.gz NPKJEQUGGOOLOB-HUUCEWRRSA-N 3 1 255.450 2.214 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422997337 376914676 /nfs/dbraw/zinc/91/46/76/376914676.db2.gz NPKJEQUGGOOLOB-HUUCEWRRSA-N 3 1 255.450 2.214 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422998759 376917367 /nfs/dbraw/zinc/91/73/67/376917367.db2.gz DFAQUAAHGPOKAP-MYZSUADSSA-N 2 1 260.381 2.281 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423001737 376919865 /nfs/dbraw/zinc/91/98/65/376919865.db2.gz XRIBGHTXMFBWIS-ARFHVFGLSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1c[nH+]ccc1N ZINC000423083395 376976683 /nfs/dbraw/zinc/97/66/83/376976683.db2.gz YURJSVZKIKMZDF-BLLLJJGKSA-N 2 1 277.412 2.476 20 0 CEADMP CSC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCC1 ZINC000423084642 376977543 /nfs/dbraw/zinc/97/75/43/376977543.db2.gz IHATZZFXNIBDOQ-JTQLQIEISA-N 2 1 251.399 2.430 20 0 CEADMP CS[C@H](C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)C(C)(C)C ZINC000423036710 376944168 /nfs/dbraw/zinc/94/41/68/376944168.db2.gz UQLLIYTYWQWVCP-JHJVBQTASA-N 2 1 274.474 2.121 20 0 CEADMP C[C@@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423057165 376952677 /nfs/dbraw/zinc/95/26/77/376952677.db2.gz ZIZXWVWTAALEEJ-XYVMCAHJSA-N 2 1 287.451 2.237 20 0 CEADMP COc1cc(C)ccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000562653576 376956297 /nfs/dbraw/zinc/95/62/97/376956297.db2.gz DZSGKFFLPTXNPZ-AWEZNQCLSA-N 2 1 262.397 2.435 20 0 CEADMP COc1cc(C)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000562653576 376956305 /nfs/dbraw/zinc/95/63/05/376956305.db2.gz DZSGKFFLPTXNPZ-AWEZNQCLSA-N 2 1 262.397 2.435 20 0 CEADMP C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000423069276 376959702 /nfs/dbraw/zinc/95/97/02/376959702.db2.gz DMRHBZLBBNIQFS-CFVMTHIKSA-N 2 1 254.418 2.048 20 0 CEADMP C1CC12CCC([NH2+][C@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CC2 ZINC000423070790 376961202 /nfs/dbraw/zinc/96/12/02/376961202.db2.gz DMKQPTKGFXOTAN-HRCADAONSA-N 2 1 278.440 2.456 20 0 CEADMP C[C@H](O)[C@](C)(C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423069705 376961462 /nfs/dbraw/zinc/96/14/62/376961462.db2.gz FCTXIBHKUUZABJ-ONIAQPFYSA-N 2 1 290.451 2.346 20 0 CEADMP CC[C@@H]([NH2+]CCc1cccnc1OC)[C@@H]1CCCC[NH2+]1 ZINC000423142514 377042449 /nfs/dbraw/zinc/04/24/49/377042449.db2.gz VNZUCENWALFTPC-CABCVRRESA-N 2 1 277.412 2.143 20 0 CEADMP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1ccnc1)C1C[NH2+]C1 ZINC000423145466 377045115 /nfs/dbraw/zinc/04/51/15/377045115.db2.gz KSZZBDWRFLYWKF-LLVKDONJSA-N 2 1 290.798 2.223 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000423089979 376983133 /nfs/dbraw/zinc/98/31/33/376983133.db2.gz WHUVHFJUIQZSAI-ILXRZTDVSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000423089979 376983134 /nfs/dbraw/zinc/98/31/34/376983134.db2.gz WHUVHFJUIQZSAI-ILXRZTDVSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423090176 376985653 /nfs/dbraw/zinc/98/56/53/376985653.db2.gz UTDNCMDLUFYZIY-VNCIIQTRSA-N 2 1 288.435 2.273 20 0 CEADMP COC1CCC(C)(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423091042 376986309 /nfs/dbraw/zinc/98/63/09/376986309.db2.gz ZANOWCBRNUEXTN-LQULJDIASA-N 2 1 254.418 2.169 20 0 CEADMP COc1cccc(C(F)(F)C[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000423110961 377006012 /nfs/dbraw/zinc/00/60/12/377006012.db2.gz PQUWEXRQQQGPNH-NSHDSACASA-N 2 1 287.354 2.289 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423158390 377061198 /nfs/dbraw/zinc/06/11/98/377061198.db2.gz WPVJYWRWLPEKPQ-PQEBFOHHSA-N 2 1 289.423 2.422 20 0 CEADMP CC[C@H]1C[N@@H+](C)CCN1C[C@@H]1CCCC[NH+]1C(C)C ZINC000563024029 377064043 /nfs/dbraw/zinc/06/40/43/377064043.db2.gz XHVGTOVFHQHWKI-HOTGVXAUSA-N 2 1 267.461 2.275 20 0 CEADMP CC[C@H]1C[NH+](C)CCN1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000563024029 377064051 /nfs/dbraw/zinc/06/40/51/377064051.db2.gz XHVGTOVFHQHWKI-HOTGVXAUSA-N 2 1 267.461 2.275 20 0 CEADMP CC[C@H]1C[NH+](C)CCN1C[C@@H]1CCCC[N@H+]1C(C)C ZINC000563024029 377064059 /nfs/dbraw/zinc/06/40/59/377064059.db2.gz XHVGTOVFHQHWKI-HOTGVXAUSA-N 2 1 267.461 2.275 20 0 CEADMP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H](O)C(F)F ZINC000423160353 377065170 /nfs/dbraw/zinc/06/51/70/377065170.db2.gz QPWHTYPFSXGSNM-YVECIDJPSA-N 2 1 270.323 2.125 20 0 CEADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cncs1 ZINC000423189293 377102080 /nfs/dbraw/zinc/10/20/80/377102080.db2.gz OYMUQHNOEMOQCU-GFCCVEGCSA-N 2 1 276.409 2.369 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563270209 377150647 /nfs/dbraw/zinc/15/06/47/377150647.db2.gz WOOIFBDGZJSGAV-QGZVFWFLSA-N 3 1 275.440 2.138 20 0 CEADMP CC(C)[C@H]([NH3+])CCN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563270209 377150654 /nfs/dbraw/zinc/15/06/54/377150654.db2.gz WOOIFBDGZJSGAV-QGZVFWFLSA-N 2 1 275.440 2.138 20 0 CEADMP CC[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423245327 377166586 /nfs/dbraw/zinc/16/65/86/377166586.db2.gz MHFUPDHEGJWVCK-NVXWUHKLSA-N 2 1 275.440 2.096 20 0 CEADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@H](C)C(=O)OCC ZINC000563348500 377177805 /nfs/dbraw/zinc/17/78/05/377177805.db2.gz MJNRNWWZZZBTRP-CYBMUJFWSA-N 2 1 281.400 2.016 20 0 CEADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@H](C)C(=O)OCC ZINC000563348500 377177808 /nfs/dbraw/zinc/17/78/08/377177808.db2.gz MJNRNWWZZZBTRP-CYBMUJFWSA-N 2 1 281.400 2.016 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423265052 377181494 /nfs/dbraw/zinc/18/14/94/377181494.db2.gz QOZLNKHRXYINIQ-HUUCEWRRSA-N 2 1 262.397 2.343 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000423281987 377210174 /nfs/dbraw/zinc/21/01/74/377210174.db2.gz WAXAIWDUTDULCL-VXGBXAGGSA-N 2 1 266.385 2.210 20 0 CEADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC(C)(C)[NH3+] ZINC000423286996 377217546 /nfs/dbraw/zinc/21/75/46/377217546.db2.gz JULCLCKUHNFJLU-NSHDSACASA-N 2 1 252.333 2.149 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)C1(C(=O)OC)CCC1 ZINC000423294902 377223293 /nfs/dbraw/zinc/22/32/93/377223293.db2.gz DDKSDIRFGJDJNJ-CHWSQXEVSA-N 2 1 270.417 2.215 20 0 CEADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccc1OC(F)(F)F ZINC000423302162 377229392 /nfs/dbraw/zinc/22/93/92/377229392.db2.gz JBDLWNQHNLVIED-SECBINFHSA-N 2 1 274.286 2.455 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000423300680 377229760 /nfs/dbraw/zinc/22/97/60/377229760.db2.gz DWAMMLKMMJBVMI-LRDDRELGSA-N 2 1 273.355 2.495 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C ZINC000423302646 377232957 /nfs/dbraw/zinc/23/29/57/377232957.db2.gz HPWMKDKSJRMRNO-CHWSQXEVSA-N 2 1 272.396 2.333 20 0 CEADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423317073 377247954 /nfs/dbraw/zinc/24/79/54/377247954.db2.gz BJUOBBMMYFZGGM-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423317072 377248452 /nfs/dbraw/zinc/24/84/52/377248452.db2.gz BJUOBBMMYFZGGM-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423322394 377253276 /nfs/dbraw/zinc/25/32/76/377253276.db2.gz IJJKRMYCFOXVOF-NSHDSACASA-N 2 1 261.369 2.177 20 0 CEADMP C[C@H](C[NH3+])N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423322462 377255325 /nfs/dbraw/zinc/25/53/25/377255325.db2.gz IQLVZRKPEPRHOC-LAVFITLUSA-N 2 1 287.451 2.224 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000423277296 377202658 /nfs/dbraw/zinc/20/26/58/377202658.db2.gz PRRAWFJTBPREHF-ZANVPECISA-N 2 1 254.324 2.397 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1F ZINC000423278318 377205818 /nfs/dbraw/zinc/20/58/18/377205818.db2.gz QQCSIVQDJOVSLC-ZWNOBZJWSA-N 2 1 254.349 2.468 20 0 CEADMP C[C@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000564076513 377342726 /nfs/dbraw/zinc/34/27/26/377342726.db2.gz CCFZOTQXHUPRAX-KBPBESRZSA-N 2 1 262.397 2.182 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000427868341 377459467 /nfs/dbraw/zinc/45/94/67/377459467.db2.gz UOFSUZOJGDGUPJ-KFWWJZLASA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000427868341 377459472 /nfs/dbraw/zinc/45/94/72/377459472.db2.gz UOFSUZOJGDGUPJ-KFWWJZLASA-N 2 1 283.460 2.096 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000427868341 377459477 /nfs/dbraw/zinc/45/94/77/377459477.db2.gz UOFSUZOJGDGUPJ-KFWWJZLASA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000564822924 377463497 /nfs/dbraw/zinc/46/34/97/377463497.db2.gz VDGIVJHVWGYKMV-MOENNCHZSA-N 2 1 282.350 2.185 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000564822785 377464559 /nfs/dbraw/zinc/46/45/59/377464559.db2.gz YJASYXMNUSLFNC-GFCCVEGCSA-N 2 1 296.411 2.363 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000565098468 377557230 /nfs/dbraw/zinc/55/72/30/377557230.db2.gz KEXNPAODHIPVEF-GDBMZVCRSA-N 2 1 294.464 2.071 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCO[C@@H]2CCCC[C@H]2C)C1 ZINC000430916650 377563904 /nfs/dbraw/zinc/56/39/04/377563904.db2.gz AVYYOPPWMMWELC-QLFBSQMISA-N 2 1 254.418 2.123 20 0 CEADMP C[NH2+]C1CC[NH+](CCCOc2ccccc2C)CC1 ZINC000430946759 377570361 /nfs/dbraw/zinc/57/03/61/377570361.db2.gz XVVNDBLSWJDUJE-UHFFFAOYSA-N 2 1 262.397 2.448 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2ccc(SC)cc2)C1 ZINC000430947226 377571724 /nfs/dbraw/zinc/57/17/24/377571724.db2.gz ZZEBPLWDHUNCPR-CYBMUJFWSA-N 2 1 280.437 2.329 20 0 CEADMP c1ccc2c(c1)CC(C[NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000685839871 542189712 /nfs/dbraw/zinc/18/97/12/542189712.db2.gz OIVRUSBPOWHOFL-AWEZNQCLSA-N 2 1 270.420 2.475 20 0 CEADMP Cc1nnc([C@@H](C)[N@H+]2CC[C@H](c3nccn3C)C2)s1 ZINC000565158639 377575378 /nfs/dbraw/zinc/57/53/78/377575378.db2.gz UJQDALHAVDKLNB-KOLCDFICSA-N 2 1 277.397 2.131 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000230002132 295229810 /nfs/dbraw/zinc/22/98/10/295229810.db2.gz CGWPGBKREDYTGE-UHFFFAOYSA-N 2 1 262.397 2.264 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000431552798 377651029 /nfs/dbraw/zinc/65/10/29/377651029.db2.gz KTITVQOAFAGFDP-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431914753 377685571 /nfs/dbraw/zinc/68/55/71/377685571.db2.gz UYSYJDLKBCZZGR-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H](C[NH2+][C@H](c1cncc(F)c1)C1CC1)C[NH+](C)C ZINC000293730428 377726990 /nfs/dbraw/zinc/72/69/90/377726990.db2.gz QAVXVNRFVHRHOU-ABAIWWIYSA-N 2 1 265.376 2.459 20 0 CEADMP C[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432366302 377755261 /nfs/dbraw/zinc/75/52/61/377755261.db2.gz DWEGUDQGEWITDY-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432366302 377755268 /nfs/dbraw/zinc/75/52/68/377755268.db2.gz DWEGUDQGEWITDY-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3cnn(C)c3c2)CC[N@H+]1C ZINC000566771343 377767599 /nfs/dbraw/zinc/76/75/99/377767599.db2.gz AKUSFZCVFQVCBV-SWLSCSKDSA-N 2 1 272.396 2.146 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000442891307 378014902 /nfs/dbraw/zinc/01/49/02/378014902.db2.gz QWAUYHKVOIJMKN-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000442762856 377991616 /nfs/dbraw/zinc/99/16/16/377991616.db2.gz HZHHXOMSHPHKCY-RYUDHWBXSA-N 2 1 295.814 2.338 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000442762850 377991708 /nfs/dbraw/zinc/99/17/08/377991708.db2.gz HZHHXOMSHPHKCY-NEPJUHHUSA-N 2 1 295.814 2.338 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442792851 377995888 /nfs/dbraw/zinc/99/58/88/377995888.db2.gz REFUTHLQJMESDJ-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442792851 377995893 /nfs/dbraw/zinc/99/58/93/377995893.db2.gz REFUTHLQJMESDJ-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP Cc1sccc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000295396193 378138130 /nfs/dbraw/zinc/13/81/30/378138130.db2.gz QHDBOKKWZBFLRN-AWEZNQCLSA-N 2 1 280.437 2.211 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449337574 378203269 /nfs/dbraw/zinc/20/32/69/378203269.db2.gz QCYMVENAIRUYCB-QXSJWSMHSA-N 2 1 295.471 2.131 20 0 CEADMP CCc1cc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc[nH+]1 ZINC000450264023 378333518 /nfs/dbraw/zinc/33/35/18/378333518.db2.gz YLFPVUJJQJMFDI-CQSZACIVSA-N 2 1 289.423 2.334 20 0 CEADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC000450374163 378382407 /nfs/dbraw/zinc/38/24/07/378382407.db2.gz VFKKZPNSJRYWHS-CQSZACIVSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC000450374163 378382413 /nfs/dbraw/zinc/38/24/13/378382413.db2.gz VFKKZPNSJRYWHS-CQSZACIVSA-N 2 1 266.429 2.264 20 0 CEADMP CCc1cc(N2CC[C@H]([N@H+](C)Cc3ncccn3)C2)cc[nH+]1 ZINC000450476904 378439444 /nfs/dbraw/zinc/43/94/44/378439444.db2.gz SNJCUJKUNMAGDO-INIZCTEOSA-N 2 1 297.406 2.145 20 0 CEADMP CCc1cc(N2CC[C@H]([N@@H+](C)Cc3ncccn3)C2)cc[nH+]1 ZINC000450476904 378439448 /nfs/dbraw/zinc/43/94/48/378439448.db2.gz SNJCUJKUNMAGDO-INIZCTEOSA-N 2 1 297.406 2.145 20 0 CEADMP C[C@@H]1CN(CC[NH+](C)Cc2ccccc2)[C@@H](C)C[N@H+]1C ZINC000450656961 378522577 /nfs/dbraw/zinc/52/25/77/378522577.db2.gz WPCFIPREYXTBAB-CVEARBPZSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@@H]1CN(CC[N@H+](C)Cc2ccccc2)[C@@H](C)C[NH+]1C ZINC000450656961 378522584 /nfs/dbraw/zinc/52/25/84/378522584.db2.gz WPCFIPREYXTBAB-CVEARBPZSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@@H]1CN(CC[N@@H+](C)Cc2ccccc2)[C@@H](C)C[NH+]1C ZINC000450656961 378522592 /nfs/dbraw/zinc/52/25/92/378522592.db2.gz WPCFIPREYXTBAB-CVEARBPZSA-N 2 1 275.440 2.143 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cn1 ZINC000296508841 378555790 /nfs/dbraw/zinc/55/57/90/378555790.db2.gz RMBZGUIUANSZKJ-LALPHHSUSA-N 2 1 286.379 2.231 20 0 CEADMP OCC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000298399503 378716497 /nfs/dbraw/zinc/71/64/97/378716497.db2.gz LSEPBMQGVNBJOE-INIZCTEOSA-N 2 1 288.435 2.369 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C1CCc2ccccc2CC1 ZINC000453095864 378799697 /nfs/dbraw/zinc/79/96/97/378799697.db2.gz VERVLOSBCKKURN-UHFFFAOYSA-N 2 1 290.451 2.492 20 0 CEADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C(C)(C)C ZINC000453095835 378799775 /nfs/dbraw/zinc/79/97/75/378799775.db2.gz HKGGBYXZNADPDD-LSDHHAIUSA-N 2 1 297.487 2.378 20 0 CEADMP COc1c(O)cccc1C[NH2+]CCCn1cc[nH+]c1C ZINC000298678726 378798588 /nfs/dbraw/zinc/79/85/88/378798588.db2.gz CZJGLNFCYIYYRI-UHFFFAOYSA-N 2 1 275.352 2.086 20 0 CEADMP CCn1ccnc1[C@@H](C)NCC[N@@H+](C)C1CCCC1 ZINC000453090219 378799305 /nfs/dbraw/zinc/79/93/05/378799305.db2.gz BTSFBWKDNUYMBT-CYBMUJFWSA-N 2 1 264.417 2.428 20 0 CEADMP Cc1ccccc1OCCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000346841241 218032188 /nfs/dbraw/zinc/03/21/88/218032188.db2.gz VFUZIUCUOXUTCU-UHFFFAOYSA-N 2 1 250.386 2.433 20 0 CEADMP Cc1ccccc1OCCC[N@H+](C)CC(C)(C)[NH3+] ZINC000346841241 218032189 /nfs/dbraw/zinc/03/21/89/218032189.db2.gz VFUZIUCUOXUTCU-UHFFFAOYSA-N 2 1 250.386 2.433 20 0 CEADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccncc1 ZINC000453205996 378829502 /nfs/dbraw/zinc/82/95/02/378829502.db2.gz DQSASNHTEFUNCP-INIZCTEOSA-N 2 1 290.455 2.148 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCCC1 ZINC000453215399 378830413 /nfs/dbraw/zinc/83/04/13/378830413.db2.gz CJANYQCPUNFCJQ-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCCC1 ZINC000453215393 378831052 /nfs/dbraw/zinc/83/10/52/378831052.db2.gz CJANYQCPUNFCJQ-KFWWJZLASA-N 2 1 266.429 2.408 20 0 CEADMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000346825033 218024584 /nfs/dbraw/zinc/02/45/84/218024584.db2.gz AEHOQLAZNIKHEW-AEGPPILISA-N 2 1 275.396 2.040 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)c2sccc21 ZINC000453201005 378828079 /nfs/dbraw/zinc/82/80/79/378828079.db2.gz RVXITGOYBNNFHD-UXIGCNINSA-N 2 1 280.437 2.343 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)c2sccc21 ZINC000453201005 378828081 /nfs/dbraw/zinc/82/80/81/378828081.db2.gz RVXITGOYBNNFHD-UXIGCNINSA-N 2 1 280.437 2.343 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000346861806 218039982 /nfs/dbraw/zinc/03/99/82/218039982.db2.gz FZXRSHUBVQJUQX-ZNMIVQPWSA-N 2 1 297.487 2.342 20 0 CEADMP CCn1ccnc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453401392 378888866 /nfs/dbraw/zinc/88/88/66/378888866.db2.gz MURPYJFESBKNTA-CYBMUJFWSA-N 2 1 264.417 2.428 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC[NH+](C)C1CC1 ZINC000453415226 378896716 /nfs/dbraw/zinc/89/67/16/378896716.db2.gz XGLXIUINXCTQFT-IIAWOOMASA-N 3 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453415226 378896724 /nfs/dbraw/zinc/89/67/24/378896724.db2.gz XGLXIUINXCTQFT-IIAWOOMASA-N 3 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453415226 378896726 /nfs/dbraw/zinc/89/67/26/378896726.db2.gz XGLXIUINXCTQFT-IIAWOOMASA-N 3 1 267.461 2.179 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453415226 378896733 /nfs/dbraw/zinc/89/67/33/378896733.db2.gz XGLXIUINXCTQFT-IIAWOOMASA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453415226 378896742 /nfs/dbraw/zinc/89/67/42/378896742.db2.gz XGLXIUINXCTQFT-IIAWOOMASA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@@H+]1CC[C@H](N(C)c2[nH+]cnc3[nH]ccc32)[C@@H](C)C1 ZINC000266278970 190245786 /nfs/dbraw/zinc/24/57/86/190245786.db2.gz STBWHAQKMGSWMT-AAEUAGOBSA-N 2 1 273.384 2.124 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)c2[nH+]cnc3[nH]ccc32)[C@@H](C)C1 ZINC000266278970 190245787 /nfs/dbraw/zinc/24/57/87/190245787.db2.gz STBWHAQKMGSWMT-AAEUAGOBSA-N 2 1 273.384 2.124 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000453375554 378878103 /nfs/dbraw/zinc/87/81/03/378878103.db2.gz XWRINJYKXUSWEH-NIOBXDJOSA-N 2 1 266.429 2.406 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000346948951 218068152 /nfs/dbraw/zinc/06/81/52/218068152.db2.gz AQMAYHKBVMAVHD-AWEZNQCLSA-N 2 1 284.444 2.239 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000347010346 218090859 /nfs/dbraw/zinc/09/08/59/218090859.db2.gz IDILNMZBDSERKD-ZDUSSCGKSA-N 2 1 283.460 2.144 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000346972728 218074695 /nfs/dbraw/zinc/07/46/95/218074695.db2.gz HSBKIXKVAOOBGS-NWDGAFQWSA-N 2 1 253.415 2.178 20 0 CEADMP CC(C)([NH3+])C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000346989510 218081356 /nfs/dbraw/zinc/08/13/56/218081356.db2.gz ROWSIBOLPUZCSD-HNNXBMFYSA-N 2 1 262.397 2.057 20 0 CEADMP CC(C)([NH3+])C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000346989510 218081357 /nfs/dbraw/zinc/08/13/57/218081357.db2.gz ROWSIBOLPUZCSD-HNNXBMFYSA-N 2 1 262.397 2.057 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1SC ZINC000346992026 218083901 /nfs/dbraw/zinc/08/39/01/218083901.db2.gz AANRTTKRBQWNTI-LBPRGKRZSA-N 2 1 266.410 2.198 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1SC ZINC000346992026 218083904 /nfs/dbraw/zinc/08/39/04/218083904.db2.gz AANRTTKRBQWNTI-LBPRGKRZSA-N 2 1 266.410 2.198 20 0 CEADMP Cc1ccc(O)c(C[NH2+]CCCC[N@H+](C)C2CC2)n1 ZINC000453595041 378916498 /nfs/dbraw/zinc/91/64/98/378916498.db2.gz JYRYXSSWWZCZOV-UHFFFAOYSA-N 2 1 263.385 2.060 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000347036501 218100766 /nfs/dbraw/zinc/10/07/66/218100766.db2.gz GYSTZCUDPCBBSH-NWDGAFQWSA-N 2 1 280.368 2.016 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000347036501 218100769 /nfs/dbraw/zinc/10/07/69/218100769.db2.gz GYSTZCUDPCBBSH-NWDGAFQWSA-N 2 1 280.368 2.016 20 0 CEADMP CCC1(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)CCOCC1 ZINC000347041451 218102427 /nfs/dbraw/zinc/10/24/27/218102427.db2.gz KWIGLTZARXERGT-AWEZNQCLSA-N 2 1 254.418 2.125 20 0 CEADMP CCC1(C[N@H+]2CCC[C@H](C[NH2+]C)C2)CCOCC1 ZINC000347041457 218103149 /nfs/dbraw/zinc/10/31/49/218103149.db2.gz KWIGLTZARXERGT-CQSZACIVSA-N 2 1 254.418 2.125 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CCC[C@H](C[NH3+])C2)c1C ZINC000347020014 218095471 /nfs/dbraw/zinc/09/54/71/218095471.db2.gz MRGWTRSTVUAVGF-CQSZACIVSA-N 2 1 264.417 2.081 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(CC(F)(F)F)c2)C1 ZINC000347073761 218114098 /nfs/dbraw/zinc/11/40/98/218114098.db2.gz SMCGLCXHVDQJLF-PWSUYJOCSA-N 2 1 290.333 2.005 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(CC(F)(F)F)c2)C1 ZINC000347073761 218114100 /nfs/dbraw/zinc/11/41/00/218114100.db2.gz SMCGLCXHVDQJLF-PWSUYJOCSA-N 2 1 290.333 2.005 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CCOCC2)[C@H](C)C1 ZINC000347434740 218233706 /nfs/dbraw/zinc/23/37/06/218233706.db2.gz UHLIHEWHPKMLJZ-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000514788818 379148845 /nfs/dbraw/zinc/14/88/45/379148845.db2.gz NFXYQQQKTHCHBP-BZZMCLGOSA-N 2 1 288.435 2.367 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000514788818 379148856 /nfs/dbraw/zinc/14/88/56/379148856.db2.gz NFXYQQQKTHCHBP-BZZMCLGOSA-N 2 1 288.435 2.367 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@](C)(O)CC1 ZINC000300428544 379172998 /nfs/dbraw/zinc/17/29/98/379172998.db2.gz YCQHHJLNQZDLNX-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@](C)(O)CC1 ZINC000300428544 379173008 /nfs/dbraw/zinc/17/30/08/379173008.db2.gz YCQHHJLNQZDLNX-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@](C)(O)CC1 ZINC000300428544 379173019 /nfs/dbraw/zinc/17/30/19/379173019.db2.gz YCQHHJLNQZDLNX-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000515347160 379206842 /nfs/dbraw/zinc/20/68/42/379206842.db2.gz UPLCLAZOQRIUIS-WMLDXEAASA-N 2 1 287.407 2.021 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000515497027 379225157 /nfs/dbraw/zinc/22/51/57/379225157.db2.gz RGFOPQLPFBPYPK-OCCSQVGLSA-N 2 1 268.426 2.101 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000515497027 379225162 /nfs/dbraw/zinc/22/51/62/379225162.db2.gz RGFOPQLPFBPYPK-OCCSQVGLSA-N 2 1 268.426 2.101 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000515497029 379226027 /nfs/dbraw/zinc/22/60/27/379226027.db2.gz RGFOPQLPFBPYPK-TZMCWYRMSA-N 2 1 268.426 2.101 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000515497029 379226036 /nfs/dbraw/zinc/22/60/36/379226036.db2.gz RGFOPQLPFBPYPK-TZMCWYRMSA-N 2 1 268.426 2.101 20 0 CEADMP COCC[NH2+]C1CC[NH+](CCSc2ccccc2)CC1 ZINC000516301675 379274844 /nfs/dbraw/zinc/27/48/44/379274844.db2.gz XPNLPGSGGKIWOU-UHFFFAOYSA-N 2 1 294.464 2.479 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000516861348 379316289 /nfs/dbraw/zinc/31/62/89/379316289.db2.gz SCFSDNXKTAIYAM-BXUZGUMPSA-N 2 1 284.350 2.418 20 0 CEADMP Cc1cc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc[nH+]1 ZINC000302218034 379333117 /nfs/dbraw/zinc/33/31/17/379333117.db2.gz KNLACXJQOGCCJR-AWEZNQCLSA-N 2 1 275.396 2.080 20 0 CEADMP C[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000517029442 379336938 /nfs/dbraw/zinc/33/69/38/379336938.db2.gz OFEZDIMTXZAXDE-HOCLYGCPSA-N 2 1 274.408 2.154 20 0 CEADMP C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000517029442 379336950 /nfs/dbraw/zinc/33/69/50/379336950.db2.gz OFEZDIMTXZAXDE-HOCLYGCPSA-N 2 1 274.408 2.154 20 0 CEADMP CCCC[N@@H+]1CCCC[C@H]1CNc1cc[nH+]cc1C(N)=O ZINC000302230516 379339296 /nfs/dbraw/zinc/33/92/96/379339296.db2.gz RSKIRPCXHDLIAD-ZDUSSCGKSA-N 2 1 290.411 2.247 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNc1cc[nH+]cc1C(N)=O ZINC000302230516 379339307 /nfs/dbraw/zinc/33/93/07/379339307.db2.gz RSKIRPCXHDLIAD-ZDUSSCGKSA-N 2 1 290.411 2.247 20 0 CEADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278916397 194210481 /nfs/dbraw/zinc/21/04/81/194210481.db2.gz HIKHHPBSQXOUQF-ZIAGYGMSSA-N 2 1 270.380 2.500 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000347598280 218286650 /nfs/dbraw/zinc/28/66/50/218286650.db2.gz SWFMPHBTDPNGGP-KRWDZBQOSA-N 2 1 298.471 2.093 20 0 CEADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000303228035 379489464 /nfs/dbraw/zinc/48/94/64/379489464.db2.gz RBELLAFNMSJDGY-AEFFLSMTSA-N 2 1 288.435 2.356 20 0 CEADMP CC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000304288451 379546770 /nfs/dbraw/zinc/54/67/70/379546770.db2.gz BKPORFLQZCBMKX-BZUAXINKSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000304288451 379546781 /nfs/dbraw/zinc/54/67/81/379546781.db2.gz BKPORFLQZCBMKX-BZUAXINKSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000304288451 379546786 /nfs/dbraw/zinc/54/67/86/379546786.db2.gz BKPORFLQZCBMKX-BZUAXINKSA-N 2 1 268.445 2.344 20 0 CEADMP CCCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266906342 190289172 /nfs/dbraw/zinc/28/91/72/190289172.db2.gz HREAJHCPKULGNE-ZIAGYGMSSA-N 2 1 292.427 2.284 20 0 CEADMP CCCCCNC(=O)[C@@H](C)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266906342 190289173 /nfs/dbraw/zinc/28/91/73/190289173.db2.gz HREAJHCPKULGNE-ZIAGYGMSSA-N 2 1 292.427 2.284 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000305107962 379640656 /nfs/dbraw/zinc/64/06/56/379640656.db2.gz BVTPISIVTXHMSQ-KFWWJZLASA-N 2 1 256.434 2.103 20 0 CEADMP C[C@H]1C[N@@H+](CCCNCc2ccncc2Cl)CCCO1 ZINC000527700064 379791810 /nfs/dbraw/zinc/79/18/10/379791810.db2.gz KMUDPXWYGIUBIT-ZDUSSCGKSA-N 2 1 297.830 2.326 20 0 CEADMP COc1cccnc1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000527927941 379849604 /nfs/dbraw/zinc/84/96/04/379849604.db2.gz CIKARTJCZHFWMB-OLZOCXBDSA-N 2 1 261.369 2.011 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(CO)ccc3F)CC[C@H]21 ZINC000528409044 379962193 /nfs/dbraw/zinc/96/21/93/379962193.db2.gz WCUAHRDXTFPEFS-RHSMWYFYSA-N 2 1 292.398 2.234 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(CO)ccc3F)CC[C@H]21 ZINC000528409044 379962198 /nfs/dbraw/zinc/96/21/98/379962198.db2.gz WCUAHRDXTFPEFS-RHSMWYFYSA-N 2 1 292.398 2.234 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)CC[C@H]21 ZINC000528409044 379962202 /nfs/dbraw/zinc/96/22/02/379962202.db2.gz WCUAHRDXTFPEFS-RHSMWYFYSA-N 2 1 292.398 2.234 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)CC[C@H]21 ZINC000528409044 379962207 /nfs/dbraw/zinc/96/22/07/379962207.db2.gz WCUAHRDXTFPEFS-RHSMWYFYSA-N 2 1 292.398 2.234 20 0 CEADMP C[C@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCCCCC1 ZINC000458159308 380025689 /nfs/dbraw/zinc/02/56/89/380025689.db2.gz DZGRCLIEZQDNJD-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000528753629 380079140 /nfs/dbraw/zinc/07/91/40/380079140.db2.gz HBFVOMZZMRXIGJ-VQJWOFKYSA-N 2 1 254.418 2.262 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccnc2OC)C[C@H]1C ZINC000488467373 380098555 /nfs/dbraw/zinc/09/85/55/380098555.db2.gz WEJFETOZOVMJGO-UKRRQHHQSA-N 2 1 277.412 2.395 20 0 CEADMP CC[C@H](C)c1nc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC000488465511 380099199 /nfs/dbraw/zinc/09/91/99/380099199.db2.gz SZUSXCDKMWNLPC-CYDGBPFRSA-N 2 1 279.432 2.452 20 0 CEADMP CC[C@H](C)c1nc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC000488465511 380099203 /nfs/dbraw/zinc/09/92/03/380099203.db2.gz SZUSXCDKMWNLPC-CYDGBPFRSA-N 2 1 279.432 2.452 20 0 CEADMP COCC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCO[C@@H]1C ZINC000489434505 380188511 /nfs/dbraw/zinc/18/85/11/380188511.db2.gz SVZZSCLQTSVSAA-ZBFHGGJFSA-N 2 1 295.427 2.098 20 0 CEADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCO[C@@H]1C ZINC000489434505 380188514 /nfs/dbraw/zinc/18/85/14/380188514.db2.gz SVZZSCLQTSVSAA-ZBFHGGJFSA-N 2 1 295.427 2.098 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)C1 ZINC000545867637 380392325 /nfs/dbraw/zinc/39/23/25/380392325.db2.gz ZHNWDYZADSRRIJ-HOTGVXAUSA-N 2 1 294.826 2.374 20 0 CEADMP CCc1nc(C)c(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)o1 ZINC000334392418 380346224 /nfs/dbraw/zinc/34/62/24/380346224.db2.gz XQIFNQGYCAKGCE-MRXNPFEDSA-N 2 1 277.412 2.463 20 0 CEADMP Cc1[nH+]ccc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1Cl ZINC000334466990 380453745 /nfs/dbraw/zinc/45/37/45/380453745.db2.gz DSMBWZCNAVKWRV-PHIMTYICSA-N 2 1 251.761 2.041 20 0 CEADMP C[N@@H+](CCC(=O)NCC1CC[NH+](C)CC1)C1CCCCC1 ZINC000548389136 380509227 /nfs/dbraw/zinc/50/92/27/380509227.db2.gz QPQNBDPLOCWNLO-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492134411 380460367 /nfs/dbraw/zinc/46/03/67/380460367.db2.gz ORGUIXBBTDGNKJ-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492134411 380460373 /nfs/dbraw/zinc/46/03/73/380460373.db2.gz ORGUIXBBTDGNKJ-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492134411 380460379 /nfs/dbraw/zinc/46/03/79/380460379.db2.gz ORGUIXBBTDGNKJ-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492134411 380460386 /nfs/dbraw/zinc/46/03/86/380460386.db2.gz ORGUIXBBTDGNKJ-UONOGXRCSA-N 2 1 299.459 2.173 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC12CCOCC2 ZINC000554560894 380782677 /nfs/dbraw/zinc/78/26/77/380782677.db2.gz MOEJAJRHUBKGPM-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cc(F)ccc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000335255452 208038868 /nfs/dbraw/zinc/03/88/68/208038868.db2.gz LLUHYUUEXMMAPT-OAHLLOKOSA-N 2 1 292.398 2.321 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000353750896 220306433 /nfs/dbraw/zinc/30/64/33/220306433.db2.gz ORRRKQKMZBUQTQ-XJKSGUPXSA-N 2 1 289.423 2.090 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000353750896 220306435 /nfs/dbraw/zinc/30/64/35/220306435.db2.gz ORRRKQKMZBUQTQ-XJKSGUPXSA-N 2 1 289.423 2.090 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000353750896 220306436 /nfs/dbraw/zinc/30/64/36/220306436.db2.gz ORRRKQKMZBUQTQ-XJKSGUPXSA-N 2 1 289.423 2.090 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000353750896 220306437 /nfs/dbraw/zinc/30/64/37/220306437.db2.gz ORRRKQKMZBUQTQ-XJKSGUPXSA-N 2 1 289.423 2.090 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000289211387 197263546 /nfs/dbraw/zinc/26/35/46/197263546.db2.gz IPOMRIGDXZLZPQ-WDEREUQCSA-N 2 1 294.424 2.127 20 0 CEADMP [NH3+]Cc1ccc(-c2noc([C@@H]3CCc4[nH+]ccn4C3)n2)cc1 ZINC000575922326 299578431 /nfs/dbraw/zinc/57/84/31/299578431.db2.gz SGGWQNHQZKKXAO-CYBMUJFWSA-N 2 1 295.346 2.122 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093516869 184686707 /nfs/dbraw/zinc/68/67/07/184686707.db2.gz DLBGGDWBYGDTSX-SWLSCSKDSA-N 2 1 278.444 2.437 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000281536286 195279970 /nfs/dbraw/zinc/27/99/70/195279970.db2.gz YXJVIUPIDGOYBI-UHFFFAOYSA-N 2 1 262.401 2.124 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000299973831 394453059 /nfs/dbraw/zinc/45/30/59/394453059.db2.gz BLKXXWYUBXDLAA-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C[C@@H]1C[NH3+] ZINC000299993887 394453169 /nfs/dbraw/zinc/45/31/69/394453169.db2.gz MKGLGNVVIVQVEK-QLFBSQMISA-N 2 1 266.429 2.395 20 0 CEADMP CC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303980116 394480587 /nfs/dbraw/zinc/48/05/87/394480587.db2.gz DYSXHGRELCXMDP-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000044535142 394506909 /nfs/dbraw/zinc/50/69/09/394506909.db2.gz PKHPYJVUSGBNJI-LBPRGKRZSA-N 2 1 254.324 2.396 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000044535142 394506913 /nfs/dbraw/zinc/50/69/13/394506913.db2.gz PKHPYJVUSGBNJI-LBPRGKRZSA-N 2 1 254.324 2.396 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC(C(C)(C)C)CC1)C1CC1 ZINC000311472224 394537189 /nfs/dbraw/zinc/53/71/89/394537189.db2.gz YSANQOYLLZGQFT-HNNXBMFYSA-N 2 1 268.445 2.200 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC(C(C)(C)C)CC1)C1CC1 ZINC000311472224 394537193 /nfs/dbraw/zinc/53/71/93/394537193.db2.gz YSANQOYLLZGQFT-HNNXBMFYSA-N 2 1 268.445 2.200 20 0 CEADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000312326622 394541503 /nfs/dbraw/zinc/54/15/03/394541503.db2.gz YTAIGJGYXPEBID-AAEUAGOBSA-N 2 1 292.345 2.313 20 0 CEADMP CCOCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000328604650 394553483 /nfs/dbraw/zinc/55/34/83/394553483.db2.gz KPPBZZGLCMPOGS-INIZCTEOSA-N 2 1 277.412 2.062 20 0 CEADMP CCOCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000328604650 394553487 /nfs/dbraw/zinc/55/34/87/394553487.db2.gz KPPBZZGLCMPOGS-INIZCTEOSA-N 2 1 277.412 2.062 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000356793262 394615654 /nfs/dbraw/zinc/61/56/54/394615654.db2.gz WFHOYHOWXUTREY-HOCLYGCPSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000356793262 394615659 /nfs/dbraw/zinc/61/56/59/394615659.db2.gz WFHOYHOWXUTREY-HOCLYGCPSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000356793262 394615663 /nfs/dbraw/zinc/61/56/63/394615663.db2.gz WFHOYHOWXUTREY-HOCLYGCPSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000356798371 394617432 /nfs/dbraw/zinc/61/74/32/394617432.db2.gz ZJUPTICRUXKCIY-KBXIAJHMSA-N 2 1 283.460 2.093 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000356798371 394617434 /nfs/dbraw/zinc/61/74/34/394617434.db2.gz ZJUPTICRUXKCIY-KBXIAJHMSA-N 2 1 283.460 2.093 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000356798371 394617437 /nfs/dbraw/zinc/61/74/37/394617437.db2.gz ZJUPTICRUXKCIY-KBXIAJHMSA-N 2 1 283.460 2.093 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2cccnc2)CC1 ZINC000265116789 394645736 /nfs/dbraw/zinc/64/57/36/394645736.db2.gz ZFFOXCSXMHVDSV-UHFFFAOYSA-N 2 1 261.413 2.429 20 0 CEADMP C[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000422736788 394748497 /nfs/dbraw/zinc/74/84/97/394748497.db2.gz GSDXYZPKOJMAAL-JKIFEVAISA-N 2 1 275.440 2.017 20 0 CEADMP C[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)C[NH+]1CCCCC1 ZINC000422712482 394734011 /nfs/dbraw/zinc/73/40/11/394734011.db2.gz OHAAUAMVBSLJMR-PMPSAXMXSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422713910 394734960 /nfs/dbraw/zinc/73/49/60/394734960.db2.gz KMZBCDPEUMIZQE-VKJFTORMSA-N 2 1 287.451 2.163 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCS1 ZINC000414714075 394749161 /nfs/dbraw/zinc/74/91/61/394749161.db2.gz WZBSENFVSGDMLT-HZSPNIEDSA-N 2 1 256.459 2.448 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)C2CCC2)CC1 ZINC000357034648 394687572 /nfs/dbraw/zinc/68/75/72/394687572.db2.gz IPDLHKGCXVLGHO-CQSZACIVSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@@H]2C[C@@H]2C)CC1 ZINC000414060641 394689172 /nfs/dbraw/zinc/68/91/72/394689172.db2.gz JUOHHMKZRLOBJZ-ARFHVFGLSA-N 2 1 267.461 2.038 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cn1 ZINC000414074453 394695172 /nfs/dbraw/zinc/69/51/72/394695172.db2.gz WUULYSFYZUSGMG-ZDUSSCGKSA-N 2 1 289.423 2.238 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000357083808 394695429 /nfs/dbraw/zinc/69/54/29/394695429.db2.gz QHUVEMYKWJNODU-HNNXBMFYSA-N 2 1 254.418 2.397 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000422732553 394746045 /nfs/dbraw/zinc/74/60/45/394746045.db2.gz OYVBVCGRTCWYDO-WBMJQRKESA-N 2 1 257.381 2.298 20 0 CEADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1C[C@H]1C ZINC000414101469 394703344 /nfs/dbraw/zinc/70/33/44/394703344.db2.gz CAQCVPQAFLWHQT-BODMPHMZSA-N 2 1 288.435 2.387 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(F)(F)F)CC[C@H]21 ZINC000334694508 394705258 /nfs/dbraw/zinc/70/52/58/394705258.db2.gz IXOBWPUODZPEPA-WDEREUQCSA-N 2 1 250.308 2.355 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(F)(F)F)CC[C@H]21 ZINC000334694508 394705261 /nfs/dbraw/zinc/70/52/61/394705261.db2.gz IXOBWPUODZPEPA-WDEREUQCSA-N 2 1 250.308 2.355 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(F)(F)F)CC[C@H]21 ZINC000334694508 394705262 /nfs/dbraw/zinc/70/52/62/394705262.db2.gz IXOBWPUODZPEPA-WDEREUQCSA-N 2 1 250.308 2.355 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc3c(c2)ncn3C)C[C@H]1C[NH3+] ZINC000422561628 394711803 /nfs/dbraw/zinc/71/18/03/394711803.db2.gz MLPZFWQSLKEANT-VNHYZAJKSA-N 2 1 286.423 2.379 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)cn1 ZINC000414139162 394713957 /nfs/dbraw/zinc/71/39/57/394713957.db2.gz HJVFSEXQJSTMDS-UONOGXRCSA-N 2 1 279.428 2.340 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)cn1 ZINC000414139162 394713959 /nfs/dbraw/zinc/71/39/59/394713959.db2.gz HJVFSEXQJSTMDS-UONOGXRCSA-N 2 1 279.428 2.340 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)C1 ZINC000334843068 394714600 /nfs/dbraw/zinc/71/46/00/394714600.db2.gz ATDSTIAXEYVXKP-VXGBXAGGSA-N 2 1 278.787 2.347 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000358264009 394714923 /nfs/dbraw/zinc/71/49/23/394714923.db2.gz YACWPVAMVUKHCN-ZBFHGGJFSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC000358264009 394714926 /nfs/dbraw/zinc/71/49/26/394714926.db2.gz YACWPVAMVUKHCN-ZBFHGGJFSA-N 2 1 262.397 2.021 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422735244 394747355 /nfs/dbraw/zinc/74/73/55/394747355.db2.gz DQJSXBZGXLTNNP-XHSDSOJGSA-N 2 1 267.461 2.227 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)CCCO1 ZINC000334970805 394723330 /nfs/dbraw/zinc/72/33/30/394723330.db2.gz GNCPJBWPVPQAIX-GOEBONIOSA-N 2 1 278.371 2.253 20 0 CEADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)CCCO1 ZINC000334970805 394723332 /nfs/dbraw/zinc/72/33/32/394723332.db2.gz GNCPJBWPVPQAIX-GOEBONIOSA-N 2 1 278.371 2.253 20 0 CEADMP COc1ccc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1F ZINC000422702828 394727833 /nfs/dbraw/zinc/72/78/33/394727833.db2.gz GALJYCNXRWMTDW-IUODEOHRSA-N 2 1 280.387 2.497 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000358720049 394728295 /nfs/dbraw/zinc/72/82/95/394728295.db2.gz KFBBJBPEXISEGX-TZMCWYRMSA-N 2 1 294.468 2.042 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000358720049 394728296 /nfs/dbraw/zinc/72/82/96/394728296.db2.gz KFBBJBPEXISEGX-TZMCWYRMSA-N 2 1 294.468 2.042 20 0 CEADMP Cc1ccccc1OCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422739731 394750647 /nfs/dbraw/zinc/75/06/47/394750647.db2.gz LSDQZCYQBMHTFS-UKRRQHHQSA-N 2 1 262.397 2.352 20 0 CEADMP CN(C)Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])ccc1F ZINC000422740205 394750809 /nfs/dbraw/zinc/75/08/09/394750809.db2.gz BBJFRUNDHQFSJE-CJNGLKHVSA-N 2 1 279.403 2.104 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)cc2F)CC12CCOCC2 ZINC000335254513 394753980 /nfs/dbraw/zinc/75/39/80/394753980.db2.gz XASHAMXDQUCJCB-ZDUSSCGKSA-N 2 1 296.361 2.152 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)cc2F)CC12CCOCC2 ZINC000335254513 394753983 /nfs/dbraw/zinc/75/39/83/394753983.db2.gz XASHAMXDQUCJCB-ZDUSSCGKSA-N 2 1 296.361 2.152 20 0 CEADMP c1nc([C@H]2CCCO2)sc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414824983 394754617 /nfs/dbraw/zinc/75/46/17/394754617.db2.gz GLGFGZFTFPFLAH-DGCLKSJQSA-N 2 1 281.425 2.084 20 0 CEADMP COc1cc2c(c(C[NH2+]C[C@H]3CCC[NH2+]C3)c1)O[C@H](C)C2 ZINC000414830552 394759275 /nfs/dbraw/zinc/75/92/75/394759275.db2.gz OTIYHDMZQLHLKB-OLZOCXBDSA-N 2 1 290.407 2.108 20 0 CEADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1(C)C ZINC000422757494 394763304 /nfs/dbraw/zinc/76/33/04/394763304.db2.gz DCZSUUOPHZPTCX-APIJFGDWSA-N 2 1 268.445 2.414 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3C[NH3+])CC2)[nH+]1 ZINC000422760083 394764043 /nfs/dbraw/zinc/76/40/43/394764043.db2.gz LOJBASKZQBIVBE-GDBMZVCRSA-N 3 1 288.439 2.076 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@H]3C[NH3+])CC2)[nH+]1 ZINC000422760084 394764110 /nfs/dbraw/zinc/76/41/10/394764110.db2.gz LOJBASKZQBIVBE-GOEBONIOSA-N 3 1 288.439 2.076 20 0 CEADMP Cc1ccc2ncc(C[NH2+]CC3([NH3+])CCCCC3)n2c1 ZINC000414840564 394764871 /nfs/dbraw/zinc/76/48/71/394764871.db2.gz KNKMFUMOAUQMHO-UHFFFAOYSA-N 2 1 272.396 2.394 20 0 CEADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414848113 394768213 /nfs/dbraw/zinc/76/82/13/394768213.db2.gz PMZJFZBAQSBBKA-RISCZKNCSA-N 2 1 295.814 2.399 20 0 CEADMP COc1ccc2nc(C[NH2+]C[C@@H]3CCC[NH2+]C3)sc2c1 ZINC000414851357 394770147 /nfs/dbraw/zinc/77/01/47/394770147.db2.gz JBTMWGJSOVTSLM-LLVKDONJSA-N 2 1 291.420 2.394 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000422766891 394770399 /nfs/dbraw/zinc/77/03/99/394770399.db2.gz QJNYTEUCFRYUNY-FZMZJTMJSA-N 2 1 252.789 2.470 20 0 CEADMP c1c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc2ccccn12 ZINC000422767953 394770421 /nfs/dbraw/zinc/77/04/21/394770421.db2.gz NJRLUZVWTRJFHC-OWCLPIDISA-N 2 1 284.407 2.345 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000414855585 394772585 /nfs/dbraw/zinc/77/25/85/394772585.db2.gz XDBJVSCNGUXCHM-HNNXBMFYSA-N 2 1 290.407 2.455 20 0 CEADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000414855386 394772707 /nfs/dbraw/zinc/77/27/07/394772707.db2.gz NBXRLFREXYBPPR-OLZOCXBDSA-N 2 1 278.396 2.182 20 0 CEADMP Fc1ccc(-n2nccc2C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414858815 394774942 /nfs/dbraw/zinc/77/49/42/394774942.db2.gz SJJZSAFNFIPNLS-ZDUSSCGKSA-N 2 1 288.370 2.101 20 0 CEADMP CCC[NH2+]CCN[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000414862485 394775745 /nfs/dbraw/zinc/77/57/45/394775745.db2.gz AQWFGEGBNZRRSI-RDJZCZTQSA-N 2 1 275.440 2.096 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000120260338 394777577 /nfs/dbraw/zinc/77/75/77/394777577.db2.gz JDHNJWXQQIAIRV-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP Cc1ccc(O[C@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422780399 394779297 /nfs/dbraw/zinc/77/92/97/394779297.db2.gz DFCPOZKGJWAWEK-IIAWOOMASA-N 2 1 262.397 2.492 20 0 CEADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414870859 394780895 /nfs/dbraw/zinc/78/08/95/394780895.db2.gz SYWSSEZKNCTCMM-IUODEOHRSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422797243 394793792 /nfs/dbraw/zinc/79/37/92/394793792.db2.gz LRHDLNPDRGEASV-HYVNUMGLSA-N 2 1 279.472 2.229 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1cc(F)cc2cccnc21)C1CC1 ZINC000414900181 394796015 /nfs/dbraw/zinc/79/60/15/394796015.db2.gz VSLFLOOATFHVSY-CQSZACIVSA-N 2 1 259.328 2.201 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1Cl ZINC000414903273 394797129 /nfs/dbraw/zinc/79/71/29/394797129.db2.gz ZMCDSGXUZBKKEL-GFCCVEGCSA-N 2 1 254.761 2.176 20 0 CEADMP C[C@@]1(C[NH2+]Cc2cnc3ccc(Cl)cn23)CCC[NH2+]C1 ZINC000414902563 394797134 /nfs/dbraw/zinc/79/71/34/394797134.db2.gz KSCGQWJDXFILGX-OAHLLOKOSA-N 2 1 292.814 2.467 20 0 CEADMP C[C@H](NCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422803225 394797916 /nfs/dbraw/zinc/79/79/16/394797916.db2.gz IOCYNZCYYPPJMN-YJBOKZPZSA-N 2 1 287.451 2.165 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414905857 394797929 /nfs/dbraw/zinc/79/79/29/394797929.db2.gz PAWMJCXOCVIAPL-MRXNPFEDSA-N 2 1 278.444 2.024 20 0 CEADMP [NH3+]CC[N@H+](CCO)CC1CCC(c2ccccc2)CC1 ZINC000414911815 394800506 /nfs/dbraw/zinc/80/05/06/394800506.db2.gz IZZMHTAJHFJFSO-UHFFFAOYSA-N 2 1 276.424 2.213 20 0 CEADMP [NH3+]CC[N@@H+](CCO)CC1CCC(c2ccccc2)CC1 ZINC000414911815 394800508 /nfs/dbraw/zinc/80/05/08/394800508.db2.gz IZZMHTAJHFJFSO-UHFFFAOYSA-N 2 1 276.424 2.213 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422816806 394808541 /nfs/dbraw/zinc/80/85/41/394808541.db2.gz BNAOFVHMOQTGSF-GXTWGEPZSA-N 2 1 290.407 2.281 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000422823776 394812420 /nfs/dbraw/zinc/81/24/20/394812420.db2.gz FDVHKMJOXKZJAO-JKSUJKDBSA-N 2 1 288.439 2.431 20 0 CEADMP CCCOc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1OC ZINC000422822924 394812923 /nfs/dbraw/zinc/81/29/23/394812923.db2.gz BWFSVSCLRRHTEE-KGLIPLIRSA-N 2 1 278.396 2.453 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)n1 ZINC000414939133 394813353 /nfs/dbraw/zinc/81/33/53/394813353.db2.gz ZBWJIPGVWLPWEV-DZGCQCFKSA-N 2 1 291.439 2.389 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)C[NH+]1CCCCC1 ZINC000422825673 394813637 /nfs/dbraw/zinc/81/36/37/394813637.db2.gz AOIOCYZTEHTICC-UONOGXRCSA-N 2 1 290.455 2.374 20 0 CEADMP CC1([NH2+]Cc2cccc3c2OCCCO3)CC[NH2+]CC1 ZINC000414944149 394815344 /nfs/dbraw/zinc/81/53/44/394815344.db2.gz OZSYDNAYZDYCCW-UHFFFAOYSA-N 2 1 276.380 2.080 20 0 CEADMP CC1([NH2+]Cc2cc3ccccc3[nH]c2=O)CC[NH2+]CC1 ZINC000414943683 394815691 /nfs/dbraw/zinc/81/56/91/394815691.db2.gz OHMZDGXCTCGJCT-UHFFFAOYSA-N 2 1 271.364 2.172 20 0 CEADMP CC(C)c1ncc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414960253 394825831 /nfs/dbraw/zinc/82/58/31/394825831.db2.gz YBEVJEQHBUWPFV-GHMZBOCLSA-N 2 1 253.415 2.497 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccnc1 ZINC000422834764 394819003 /nfs/dbraw/zinc/81/90/03/394819003.db2.gz OEQXNWNMHCXEOO-CWRNSKLLSA-N 2 1 261.413 2.409 20 0 CEADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414950404 394820372 /nfs/dbraw/zinc/82/03/72/394820372.db2.gz HNMPCKQDAMLQPN-ZDUSSCGKSA-N 2 1 271.364 2.097 20 0 CEADMP COc1ccc2c(c1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000336056127 394821645 /nfs/dbraw/zinc/82/16/45/394821645.db2.gz DJAUNADCEZKTPZ-CYBMUJFWSA-N 2 1 260.381 2.053 20 0 CEADMP COc1ccc2c(c1)C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000336056127 394821647 /nfs/dbraw/zinc/82/16/47/394821647.db2.gz DJAUNADCEZKTPZ-CYBMUJFWSA-N 2 1 260.381 2.053 20 0 CEADMP COc1ccc2c(c1)CC[N@@H+](C[C@H]([NH3+])CC(C)C)CC2 ZINC000414736740 394749814 /nfs/dbraw/zinc/74/98/14/394749814.db2.gz CWBMSYKQIYCRPK-MRXNPFEDSA-N 2 1 276.424 2.469 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@H]([NH3+])CC(C)C)CC2 ZINC000414736740 394749823 /nfs/dbraw/zinc/74/98/23/394749823.db2.gz CWBMSYKQIYCRPK-MRXNPFEDSA-N 2 1 276.424 2.469 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000414736356 394749994 /nfs/dbraw/zinc/74/99/94/394749994.db2.gz HRJHDIWSVPISBJ-CABCVRRESA-N 2 1 254.418 2.252 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c(F)c1 ZINC000422928447 394865551 /nfs/dbraw/zinc/86/55/51/394865551.db2.gz KPOUKJTYTNVVGP-NHYWBVRUSA-N 2 1 266.360 2.312 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2C(C)(C)C)C[C@@]1(C)C[NH3+] ZINC000415052571 394865934 /nfs/dbraw/zinc/86/59/34/394865934.db2.gz IPQHOXQGEQILED-IAQYHMDHSA-N 2 1 264.417 2.124 20 0 CEADMP COCCOc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000415054918 394867079 /nfs/dbraw/zinc/86/70/79/394867079.db2.gz OBRLYOBLRWSIHH-OAHLLOKOSA-N 2 1 280.412 2.175 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000422968421 394870467 /nfs/dbraw/zinc/87/04/67/394870467.db2.gz WUIPYDUBAUKARW-MJBXVCDLSA-N 2 1 265.401 2.132 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C[C@H]1C ZINC000415064692 394870668 /nfs/dbraw/zinc/87/06/68/394870668.db2.gz LCNASAHCJVYDFJ-BVUBDWEXSA-N 2 1 296.455 2.461 20 0 CEADMP c1c(C[NH2+]CCC[NH2+]C2CC2)[nH]nc1-c1ccccc1 ZINC000415068257 394873594 /nfs/dbraw/zinc/87/35/94/394873594.db2.gz MCYQTFWQCDGLID-UHFFFAOYSA-N 2 1 270.380 2.308 20 0 CEADMP CCCCN1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000415076028 394877037 /nfs/dbraw/zinc/87/70/37/394877037.db2.gz CDMODTICDKWRHS-UHFFFAOYSA-N 2 1 267.461 2.358 20 0 CEADMP CCC(CC)[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000129997086 394879670 /nfs/dbraw/zinc/87/96/70/394879670.db2.gz ABXGBJWSZLYPPX-KBMXLJTQSA-N 2 1 269.477 2.425 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000423010698 394879725 /nfs/dbraw/zinc/87/97/25/394879725.db2.gz HDSUGSYINSHTPR-DARAHFNDSA-N 2 1 261.413 2.147 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000423010698 394879728 /nfs/dbraw/zinc/87/97/28/394879728.db2.gz HDSUGSYINSHTPR-DARAHFNDSA-N 2 1 261.413 2.147 20 0 CEADMP CC(C)OCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363561152 394879826 /nfs/dbraw/zinc/87/98/26/394879826.db2.gz WBGGSLJUOANBMO-BZUAXINKSA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)OCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363561152 394879828 /nfs/dbraw/zinc/87/98/28/394879828.db2.gz WBGGSLJUOANBMO-BZUAXINKSA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)OCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363561152 394879830 /nfs/dbraw/zinc/87/98/30/394879830.db2.gz WBGGSLJUOANBMO-BZUAXINKSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]([NH2+]CCc1cccc(OC)n1)[C@H]1CCCC[NH2+]1 ZINC000423010665 394880036 /nfs/dbraw/zinc/88/00/36/394880036.db2.gz YEPXAZHAZPUUFF-HUUCEWRRSA-N 2 1 277.412 2.143 20 0 CEADMP CC[C@@]1(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC[NH2+]C1 ZINC000363534231 394880082 /nfs/dbraw/zinc/88/00/82/394880082.db2.gz LVBDIRYGHMOPLF-NVXWUHKLSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414967881 394830498 /nfs/dbraw/zinc/83/04/98/394830498.db2.gz HXGRCWNAXRTLMV-MRXNPFEDSA-N 2 1 299.422 2.198 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422856746 394832349 /nfs/dbraw/zinc/83/23/49/394832349.db2.gz GAURJJZUVIBXGF-YOEHRIQHSA-N 2 1 284.407 2.002 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422856743 394832418 /nfs/dbraw/zinc/83/24/18/394832418.db2.gz GAURJJZUVIBXGF-PBHICJAKSA-N 2 1 284.407 2.002 20 0 CEADMP C[C@@H](C[NH2+]C[C@@H]1C[NH2+]CCN1C)CC1CCCCC1 ZINC000414979640 394834429 /nfs/dbraw/zinc/83/44/29/394834429.db2.gz UWIVXFXAFQEEEF-ZBFHGGJFSA-N 2 1 267.461 2.086 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414979406 394834485 /nfs/dbraw/zinc/83/44/85/394834485.db2.gz NYGFFOYMXYEUKI-ZBFHGGJFSA-N 2 1 278.396 2.071 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000414981659 394835920 /nfs/dbraw/zinc/83/59/20/394835920.db2.gz QVTQRSPFFMHQSV-JTQLQIEISA-N 2 1 262.275 2.412 20 0 CEADMP C[C@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000422869524 394840753 /nfs/dbraw/zinc/84/07/53/394840753.db2.gz ANDOWDMPCNAKQW-ATLSCFEFSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422870179 394840767 /nfs/dbraw/zinc/84/07/67/394840767.db2.gz BIBWQVFIMMXVKG-MPTYRVRUSA-N 2 1 275.440 2.365 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422870179 394840771 /nfs/dbraw/zinc/84/07/71/394840771.db2.gz BIBWQVFIMMXVKG-MPTYRVRUSA-N 2 1 275.440 2.365 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422875287 394843334 /nfs/dbraw/zinc/84/33/34/394843334.db2.gz DQYDGYFSMPEHBB-TWMKSMIVSA-N 2 1 281.488 2.462 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422875287 394843337 /nfs/dbraw/zinc/84/33/37/394843337.db2.gz DQYDGYFSMPEHBB-TWMKSMIVSA-N 3 1 281.488 2.462 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422875287 394843339 /nfs/dbraw/zinc/84/33/39/394843339.db2.gz DQYDGYFSMPEHBB-TWMKSMIVSA-N 3 1 281.488 2.462 20 0 CEADMP C[C@@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422878044 394844429 /nfs/dbraw/zinc/84/44/29/394844429.db2.gz ISKHGHVTDBBEKE-QXSJWSMHSA-N 2 1 267.461 2.085 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+]([C@H]1CCCC[C@@H]1O)CC2)C1CC1 ZINC000362104342 394844861 /nfs/dbraw/zinc/84/48/61/394844861.db2.gz CUDONGPVAIPXAE-XIRDDKMYSA-N 2 1 292.467 2.486 20 0 CEADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422878399 394845630 /nfs/dbraw/zinc/84/56/30/394845630.db2.gz SXIWXNRWRYEAPK-FGTAOJJYSA-N 2 1 291.483 2.370 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422878399 394845633 /nfs/dbraw/zinc/84/56/33/394845633.db2.gz SXIWXNRWRYEAPK-FGTAOJJYSA-N 2 1 291.483 2.370 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422880174 394847197 /nfs/dbraw/zinc/84/71/97/394847197.db2.gz NLBABQIWDSUMMN-FZKCQIBNSA-N 3 1 269.477 2.460 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422880174 394847200 /nfs/dbraw/zinc/84/72/00/394847200.db2.gz NLBABQIWDSUMMN-FZKCQIBNSA-N 3 1 269.477 2.460 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000415014773 394849638 /nfs/dbraw/zinc/84/96/38/394849638.db2.gz XLRXUIOQHOCAQN-KBPBESRZSA-N 2 1 285.391 2.486 20 0 CEADMP CC1=CCC[NH+](CCOCC[N@@H+]2CCC=C(C)C2)C1 ZINC000280823972 394851913 /nfs/dbraw/zinc/85/19/13/394851913.db2.gz NSNZBAGQRLZCST-UHFFFAOYSA-N 2 1 264.413 2.307 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422897129 394854644 /nfs/dbraw/zinc/85/46/44/394854644.db2.gz JCDZIOKTEJKNCF-IUODEOHRSA-N 2 1 262.372 2.445 20 0 CEADMP CC(C)COc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415031604 394855816 /nfs/dbraw/zinc/85/58/16/394855816.db2.gz GIEAFMLKNAETSE-ZSHCYNCHSA-N 2 1 260.381 2.029 20 0 CEADMP C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000422910525 394859741 /nfs/dbraw/zinc/85/97/41/394859741.db2.gz QYJBOHVOYTYWKE-BFYDXBDKSA-N 2 1 275.440 2.237 20 0 CEADMP CCCn1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415041833 394860556 /nfs/dbraw/zinc/86/05/56/394860556.db2.gz LUJRWFVVJXKXGV-CVEARBPZSA-N 2 1 276.428 2.257 20 0 CEADMP CCCn1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415041833 394860559 /nfs/dbraw/zinc/86/05/59/394860559.db2.gz LUJRWFVVJXKXGV-CVEARBPZSA-N 2 1 276.428 2.257 20 0 CEADMP C([C@@H]1CCSC1)[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415041270 394860595 /nfs/dbraw/zinc/86/05/95/394860595.db2.gz LHCRVAWMCJGDDS-IHRRRGAJSA-N 2 1 254.443 2.204 20 0 CEADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000415097370 394888963 /nfs/dbraw/zinc/88/89/63/394888963.db2.gz DAKWKHHVRNXNCB-CABCVRRESA-N 2 1 250.361 2.344 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]([NH3+])C2CC2)C[C@@H]1c1ccccc1 ZINC000423335179 394889725 /nfs/dbraw/zinc/88/97/25/394889725.db2.gz WYJVZXVHSXRIJI-GVDBMIGSSA-N 2 1 273.424 2.149 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1F ZINC000423343219 394893508 /nfs/dbraw/zinc/89/35/08/394893508.db2.gz ZNZSRYLOAICTOC-SNVBAGLBSA-N 2 1 252.333 2.366 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000415128854 394899019 /nfs/dbraw/zinc/89/90/19/394899019.db2.gz OJLDABCFEVFHAR-QGZVFWFLSA-N 2 1 299.422 2.191 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423365836 394902296 /nfs/dbraw/zinc/90/22/96/394902296.db2.gz BYXPQWYDXAOHFC-VYDRJRHOSA-N 2 1 264.413 2.064 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC[NH2+]1 ZINC000423368192 394903273 /nfs/dbraw/zinc/90/32/73/394903273.db2.gz DURSOJGDFABARY-JLSDUUJJSA-N 2 1 296.418 2.491 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000364484892 394909147 /nfs/dbraw/zinc/90/91/47/394909147.db2.gz LNFXGALIVBJYHC-CVEARBPZSA-N 2 1 295.471 2.147 20 0 CEADMP CC[N@@H+](CC(=O)N1CC[NH+](CCC(C)(C)C)CC1)C1CC1 ZINC000131370319 394909323 /nfs/dbraw/zinc/90/93/23/394909323.db2.gz NWFDTBMBUZTVOD-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)C1CCOCC1 ZINC000423385892 394909457 /nfs/dbraw/zinc/90/94/57/394909457.db2.gz KYZDFGSUTHRGHK-GXTWGEPZSA-N 2 1 254.418 2.169 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1nc2ccccc2n1C ZINC000423391787 394911246 /nfs/dbraw/zinc/91/12/46/394911246.db2.gz PSSMUHJDMMTAMF-YNEHKIRRSA-N 2 1 272.396 2.494 20 0 CEADMP COC[C@]1(C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)CCC[NH2+]1 ZINC000423427818 394919775 /nfs/dbraw/zinc/91/97/75/394919775.db2.gz NVCSBEXQPYMDTD-RRQGHBQHSA-N 2 1 274.408 2.278 20 0 CEADMP Cc1ncccc1O[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000365228591 394922159 /nfs/dbraw/zinc/92/21/59/394922159.db2.gz OHRDXUOZLUVWKC-JKSUJKDBSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ncccc1O[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000365228591 394922161 /nfs/dbraw/zinc/92/21/61/394922161.db2.gz OHRDXUOZLUVWKC-JKSUJKDBSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ncccc1O[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000365228591 394922164 /nfs/dbraw/zinc/92/21/64/394922164.db2.gz OHRDXUOZLUVWKC-JKSUJKDBSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ncccc1O[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000365228591 394922167 /nfs/dbraw/zinc/92/21/67/394922167.db2.gz OHRDXUOZLUVWKC-JKSUJKDBSA-N 2 1 289.423 2.327 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000423444250 394922284 /nfs/dbraw/zinc/92/22/84/394922284.db2.gz LMMMRRBDZWQJFJ-WOPDTQHZSA-N 2 1 264.369 2.234 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423487414 394932017 /nfs/dbraw/zinc/93/20/17/394932017.db2.gz UHBCSBMMJKTIRC-XIRDDKMYSA-N 2 1 275.440 2.067 20 0 CEADMP Cc1cc(N)cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000423489641 394933075 /nfs/dbraw/zinc/93/30/75/394933075.db2.gz WPQXEILWYZUTOF-HEHGZKQESA-N 2 1 261.413 2.396 20 0 CEADMP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CC2 ZINC000423490627 394934470 /nfs/dbraw/zinc/93/44/70/394934470.db2.gz IIKWVQKCVUOSOP-DZGCQCFKSA-N 2 1 280.799 2.295 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c(C)c1 ZINC000423493456 394935288 /nfs/dbraw/zinc/93/52/88/394935288.db2.gz QCAAZHLHVWUUAP-UKRRQHHQSA-N 2 1 278.396 2.033 20 0 CEADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)s1 ZINC000423502499 394938462 /nfs/dbraw/zinc/93/84/62/394938462.db2.gz FBRNXSIOCREVQX-NWDGAFQWSA-N 2 1 268.426 2.340 20 0 CEADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1CC1(C)C ZINC000423506258 394939094 /nfs/dbraw/zinc/93/90/94/394939094.db2.gz IAORNFCKHXCKTE-LBDPXKHJSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)[C@@H](C)C1CCCCC1 ZINC000423509712 394941097 /nfs/dbraw/zinc/94/10/97/394941097.db2.gz IXUBLHGVGUFYRF-IJEWVQPXSA-N 2 1 267.461 2.085 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000423510889 394941254 /nfs/dbraw/zinc/94/12/54/394941254.db2.gz SQNDCKFRMXTNOW-JCKWVBRZSA-N 2 1 287.451 2.464 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccs1 ZINC000423511209 394942961 /nfs/dbraw/zinc/94/29/61/394942961.db2.gz KAWXIFWXRGNBNW-VXGBXAGGSA-N 2 1 254.399 2.167 20 0 CEADMP CC(C)[NH2+]CCN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000366385967 394943529 /nfs/dbraw/zinc/94/35/29/394943529.db2.gz XWHYCSCTZHCQQM-IRXDYDNUSA-N 2 1 290.455 2.004 20 0 CEADMP COC(=O)c1csc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000423542878 394947587 /nfs/dbraw/zinc/94/75/87/394947587.db2.gz BIJJHIVBFPWMPH-SNVBAGLBSA-N 2 1 282.409 2.327 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C12CCC2 ZINC000423566299 394952725 /nfs/dbraw/zinc/95/27/25/394952725.db2.gz TZWHKWXLPJGYHL-MGPQQGTHSA-N 2 1 252.402 2.066 20 0 CEADMP CCCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371295972 395027016 /nfs/dbraw/zinc/02/70/16/395027016.db2.gz WBEDCUUSKAOUAP-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP COC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)OC ZINC000340350559 394983678 /nfs/dbraw/zinc/98/36/78/394983678.db2.gz OJRITGLWLREFIH-ULQDDVLXSA-N 2 1 292.423 2.073 20 0 CEADMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)OC ZINC000340350559 394983683 /nfs/dbraw/zinc/98/36/83/394983683.db2.gz OJRITGLWLREFIH-ULQDDVLXSA-N 2 1 292.423 2.073 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415959713 394988023 /nfs/dbraw/zinc/98/80/23/394988023.db2.gz PLDALQDODRMFFE-CYBMUJFWSA-N 2 1 292.427 2.387 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000340794698 394991128 /nfs/dbraw/zinc/99/11/28/394991128.db2.gz IBSDAMDHWSAWIQ-OWCLPIDISA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CCCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000340794698 394991131 /nfs/dbraw/zinc/99/11/31/394991131.db2.gz IBSDAMDHWSAWIQ-OWCLPIDISA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CCCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000340794698 394991134 /nfs/dbraw/zinc/99/11/34/394991134.db2.gz IBSDAMDHWSAWIQ-OWCLPIDISA-N 2 1 295.471 2.190 20 0 CEADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369020637 394995272 /nfs/dbraw/zinc/99/52/72/394995272.db2.gz ZOHHPBHDIWSFCA-VVLHAWIVSA-N 2 1 278.440 2.432 20 0 CEADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369020637 394995273 /nfs/dbraw/zinc/99/52/73/394995273.db2.gz ZOHHPBHDIWSFCA-VVLHAWIVSA-N 2 1 278.440 2.432 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000154642279 395023028 /nfs/dbraw/zinc/02/30/28/395023028.db2.gz IIANMMOOYDKARV-WCVJEAGWSA-N 2 1 270.461 2.349 20 0 CEADMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@H]1CCCO1)CC2)C1CC1 ZINC000367209584 394959686 /nfs/dbraw/zinc/95/96/86/394959686.db2.gz SBFDOJIKKBAXCW-GOEBONIOSA-N 2 1 278.440 2.362 20 0 CEADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCCCC2)C1)[NH+](C)C ZINC000371211621 395026402 /nfs/dbraw/zinc/02/64/02/395026402.db2.gz BILNZWOCHRPLAZ-HOCLYGCPSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000423765702 394979982 /nfs/dbraw/zinc/97/99/82/394979982.db2.gz ANRNOPAUJZXVRQ-OAHLLOKOSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000158647043 395049967 /nfs/dbraw/zinc/04/99/67/395049967.db2.gz BVILFBOSGJHSLU-QBPKDAKJSA-N 2 1 281.488 2.427 20 0 CEADMP CC[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)C[C@H](C)O1 ZINC000161789856 395065253 /nfs/dbraw/zinc/06/52/53/395065253.db2.gz FJIBSSDTNLRIIX-ZFWWWQNUSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)C[C@H](C)O1 ZINC000161789856 395065257 /nfs/dbraw/zinc/06/52/57/395065257.db2.gz FJIBSSDTNLRIIX-ZFWWWQNUSA-N 2 1 265.401 2.471 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(OC2CCOCC2)CC1 ZINC000161988839 395068269 /nfs/dbraw/zinc/06/82/69/395068269.db2.gz YXAKHLSKSXAYDS-HNNXBMFYSA-N 2 1 296.455 2.131 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCSC(C)(C)C1 ZINC000162215490 395071683 /nfs/dbraw/zinc/07/16/83/395071683.db2.gz SHRACVXRFZRGDS-UHFFFAOYSA-N 2 1 253.415 2.409 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCSC(C)(C)C1 ZINC000162215490 395071687 /nfs/dbraw/zinc/07/16/87/395071687.db2.gz SHRACVXRFZRGDS-UHFFFAOYSA-N 2 1 253.415 2.409 20 0 CEADMP C[N@@H+](CCc1nccs1)CC[C@@H]1CCC[NH+]1C ZINC000162643070 395077939 /nfs/dbraw/zinc/07/79/39/395077939.db2.gz PQJQKKWQJPDMDK-LBPRGKRZSA-N 2 1 253.415 2.102 20 0 CEADMP C[N@H+](CCc1nccs1)CC[C@@H]1CCC[NH+]1C ZINC000162643070 395077942 /nfs/dbraw/zinc/07/79/42/395077942.db2.gz PQJQKKWQJPDMDK-LBPRGKRZSA-N 2 1 253.415 2.102 20 0 CEADMP C[NH+](CCc1nccs1)CC[C@@H]1CCC[N@@H+]1C ZINC000162643070 395077944 /nfs/dbraw/zinc/07/79/44/395077944.db2.gz PQJQKKWQJPDMDK-LBPRGKRZSA-N 2 1 253.415 2.102 20 0 CEADMP C[NH+](CCc1nccs1)CC[C@@H]1CCC[N@H+]1C ZINC000162643070 395077947 /nfs/dbraw/zinc/07/79/47/395077947.db2.gz PQJQKKWQJPDMDK-LBPRGKRZSA-N 2 1 253.415 2.102 20 0 CEADMP COc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)cn1 ZINC000436249742 395102780 /nfs/dbraw/zinc/10/27/80/395102780.db2.gz UAKWIPISEGQDTA-UHFFFAOYSA-N 2 1 274.368 2.165 20 0 CEADMP CC1CC[NH+](CCCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000158177271 395039356 /nfs/dbraw/zinc/03/93/56/395039356.db2.gz GNEMWVDAQPOSID-IRXDYDNUSA-N 3 1 281.488 2.428 20 0 CEADMP CC1CC[NH+](CCCC[NH2+][C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000158177271 395039360 /nfs/dbraw/zinc/03/93/60/395039360.db2.gz GNEMWVDAQPOSID-IRXDYDNUSA-N 2 1 281.488 2.428 20 0 CEADMP CCN1CCC([N@@H+](C)C[C@@H](O)C2CCCCC2)CC1 ZINC000158369293 395044128 /nfs/dbraw/zinc/04/41/28/395044128.db2.gz SMVVURZOYPEFNM-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)C2CCCCC2)CC1 ZINC000158369293 395044129 /nfs/dbraw/zinc/04/41/29/395044129.db2.gz SMVVURZOYPEFNM-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)C2CCCCC2)CC1 ZINC000158369293 395044132 /nfs/dbraw/zinc/04/41/32/395044132.db2.gz SMVVURZOYPEFNM-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](CO)c3ccccc32)CC[N@@H+]1C ZINC000376954247 395131949 /nfs/dbraw/zinc/13/19/49/395131949.db2.gz JSGIRSICZLBIQM-UMPJEAMMSA-N 2 1 274.408 2.280 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](CO)c3ccccc32)CC[N@H+]1C ZINC000376954247 395131953 /nfs/dbraw/zinc/13/19/53/395131953.db2.gz JSGIRSICZLBIQM-UMPJEAMMSA-N 2 1 274.408 2.280 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000494656576 395132158 /nfs/dbraw/zinc/13/21/58/395132158.db2.gz VZPRMHGWQIJEQJ-OWCLPIDISA-N 2 1 295.471 2.003 20 0 CEADMP CSc1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428030981 395132306 /nfs/dbraw/zinc/13/23/06/395132306.db2.gz GDALIKJBSDIDSR-BBRMVZONSA-N 2 1 292.448 2.471 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428030981 395132310 /nfs/dbraw/zinc/13/23/10/395132310.db2.gz GDALIKJBSDIDSR-BBRMVZONSA-N 2 1 292.448 2.471 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000494576001 395123246 /nfs/dbraw/zinc/12/32/46/395123246.db2.gz VFPUIBDWZCMCHK-ZDUSSCGKSA-N 2 1 265.376 2.431 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000494576001 395123249 /nfs/dbraw/zinc/12/32/49/395123249.db2.gz VFPUIBDWZCMCHK-ZDUSSCGKSA-N 2 1 265.376 2.431 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC(F)(F)F)C2)CC1 ZINC000375905227 395104155 /nfs/dbraw/zinc/10/41/55/395104155.db2.gz LTOJNCOINPLFGQ-ZDUSSCGKSA-N 2 1 293.377 2.039 20 0 CEADMP COCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377328349 395136544 /nfs/dbraw/zinc/13/65/44/395136544.db2.gz BJTIOQUQZDYDKV-ZWKOTPCHSA-N 2 1 288.435 2.477 20 0 CEADMP COCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377328349 395136545 /nfs/dbraw/zinc/13/65/45/395136545.db2.gz BJTIOQUQZDYDKV-ZWKOTPCHSA-N 2 1 288.435 2.477 20 0 CEADMP COCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377328349 395136549 /nfs/dbraw/zinc/13/65/49/395136549.db2.gz BJTIOQUQZDYDKV-ZWKOTPCHSA-N 2 1 288.435 2.477 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCCO1 ZINC000379202379 395161669 /nfs/dbraw/zinc/16/16/69/395161669.db2.gz ZEXFCCUREUKDGU-XGUBFFRZSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCCO1 ZINC000379202379 395161672 /nfs/dbraw/zinc/16/16/72/395161672.db2.gz ZEXFCCUREUKDGU-XGUBFFRZSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCCCO1 ZINC000379202375 395162317 /nfs/dbraw/zinc/16/23/17/395162317.db2.gz ZEXFCCUREUKDGU-GBJTYRQASA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCCCO1 ZINC000379202375 395162321 /nfs/dbraw/zinc/16/23/21/395162321.db2.gz ZEXFCCUREUKDGU-GBJTYRQASA-N 2 1 252.402 2.160 20 0 CEADMP Cc1ncc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)s1 ZINC000400051965 395248865 /nfs/dbraw/zinc/24/88/65/395248865.db2.gz DKLMLXWBRIFVDV-PWSUYJOCSA-N 2 1 253.415 2.271 20 0 CEADMP Oc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000433032403 395192237 /nfs/dbraw/zinc/19/22/37/395192237.db2.gz LWGOJVMBNVFKLY-RRFJBIMHSA-N 2 1 272.392 2.076 20 0 CEADMP OCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC2(CCC2)C1 ZINC000433058196 395194407 /nfs/dbraw/zinc/19/44/07/395194407.db2.gz JZWRDCAKVIWXGZ-HUUCEWRRSA-N 2 1 278.440 2.146 20 0 CEADMP C(C[C@H]1CCOC1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000437762343 395197076 /nfs/dbraw/zinc/19/70/76/395197076.db2.gz IWMXEOIVQZBIKF-INIZCTEOSA-N 2 1 296.455 2.038 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)CC[N@H+]1C ZINC000433098173 395197452 /nfs/dbraw/zinc/19/74/52/395197452.db2.gz SFRQZTKKOXVUHD-ZIAGYGMSSA-N 2 1 266.429 2.002 20 0 CEADMP C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)C1CCCCCC1 ZINC000394556215 395206745 /nfs/dbraw/zinc/20/67/45/395206745.db2.gz COHBWWDQDHXXMS-QGZVFWFLSA-N 2 1 279.472 2.326 20 0 CEADMP CO[C@H](C[NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000400273995 395251689 /nfs/dbraw/zinc/25/16/89/395251689.db2.gz YDEDDWPBVVZEDS-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000397288442 395220795 /nfs/dbraw/zinc/22/07/95/395220795.db2.gz VSGYVNANXNHEDZ-WWGRRREGSA-N 2 1 290.407 2.278 20 0 CEADMP CC(C)n1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C[C@@H]2C)cn1 ZINC000397299532 395221026 /nfs/dbraw/zinc/22/10/26/395221026.db2.gz CZAZCKNIMBHHNH-VNHYZAJKSA-N 2 1 264.417 2.269 20 0 CEADMP CC(C)n1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C[C@@H]2C)cn1 ZINC000397299532 395221030 /nfs/dbraw/zinc/22/10/30/395221030.db2.gz CZAZCKNIMBHHNH-VNHYZAJKSA-N 2 1 264.417 2.269 20 0 CEADMP CC(C)[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCS1 ZINC000420305550 395309882 /nfs/dbraw/zinc/30/98/82/395309882.db2.gz POIUHRZUEAQULZ-ZIAGYGMSSA-N 2 1 256.459 2.450 20 0 CEADMP CC[C@H]1CC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420306003 395311446 /nfs/dbraw/zinc/31/14/46/395311446.db2.gz QFTYVZNKAFHIDU-DZGCQCFKSA-N 2 1 262.397 2.469 20 0 CEADMP Cc1cnn([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000420308480 395313166 /nfs/dbraw/zinc/31/31/66/395313166.db2.gz CUCFYBDESWQUMW-CVEARBPZSA-N 2 1 276.428 2.218 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000420324121 395327775 /nfs/dbraw/zinc/32/77/75/395327775.db2.gz ZENLJKJYJMUSRY-NXHRZFHOSA-N 3 1 287.451 2.050 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326069 395327792 /nfs/dbraw/zinc/32/77/92/395327792.db2.gz JDMYXUVFAWGGTE-JKSUJKDBSA-N 2 1 268.445 2.371 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c(C)s1 ZINC000420312692 395316390 /nfs/dbraw/zinc/31/63/90/395316390.db2.gz IHKYJHJWDUBDSH-KOLCDFICSA-N 2 1 282.409 2.012 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c(C)s1 ZINC000420312692 395316394 /nfs/dbraw/zinc/31/63/94/395316394.db2.gz IHKYJHJWDUBDSH-KOLCDFICSA-N 2 1 282.409 2.012 20 0 CEADMP CO[C@]1(C)C[C@H]([N@@H+](C)CC[C@@H]2CC[NH2+]C2)C1(C)C ZINC000420312909 395316621 /nfs/dbraw/zinc/31/66/21/395316621.db2.gz XOOZXEKRILDMPM-KCQAQPDRSA-N 2 1 254.418 2.121 20 0 CEADMP CCc1nccn1[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420313381 395316630 /nfs/dbraw/zinc/31/66/30/395316630.db2.gz JAFVZEFDFSWUIU-HZPDHXFCSA-N 3 1 290.455 2.472 20 0 CEADMP CCCCNC(=O)[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420315139 395317993 /nfs/dbraw/zinc/31/79/93/395317993.db2.gz ZSVYGBIQSVMXEP-HOTGVXAUSA-N 2 1 295.471 2.004 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000434660558 395318501 /nfs/dbraw/zinc/31/85/01/395318501.db2.gz ABCGVWMSWGHYBY-QGZVFWFLSA-N 2 1 299.418 2.298 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420315175 395318782 /nfs/dbraw/zinc/31/87/82/395318782.db2.gz ZWRUCMCMHNVYCF-HOTGVXAUSA-N 2 1 295.471 2.004 20 0 CEADMP CCC(C)(C)NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352477410 395259314 /nfs/dbraw/zinc/25/93/14/395259314.db2.gz LDTBSXXBOJVMQW-UHFFFAOYSA-N 2 1 283.460 2.132 20 0 CEADMP CC(C)N1CCC[C@H]([N@@H+](CCC[NH3+])CC2CCCC2)C1=O ZINC000352520177 395261560 /nfs/dbraw/zinc/26/15/60/395261560.db2.gz WESPRDYLBIBHMV-INIZCTEOSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000401890574 395265242 /nfs/dbraw/zinc/26/52/42/395265242.db2.gz SETYWZCDUAJJAS-OIISXLGYSA-N 2 1 274.408 2.276 20 0 CEADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420320534 395324204 /nfs/dbraw/zinc/32/42/04/395324204.db2.gz QNMNTEXJNRCSHB-BZUAXINKSA-N 2 1 295.471 2.003 20 0 CEADMP CCc1nccn1[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420326117 395327676 /nfs/dbraw/zinc/32/76/76/395327676.db2.gz XBBLMFQAPXBNSS-LSDHHAIUSA-N 2 1 276.428 2.082 20 0 CEADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420367065 395354241 /nfs/dbraw/zinc/35/42/41/395354241.db2.gz GMUDURJPCDVCNY-LLLHUVSDSA-N 2 1 276.424 2.038 20 0 CEADMP Cc1ncsc1CC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420370147 395357362 /nfs/dbraw/zinc/35/73/62/395357362.db2.gz ORFGQGJVOOYLRQ-ZDUSSCGKSA-N 2 1 267.442 2.491 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000412406888 395357419 /nfs/dbraw/zinc/35/74/19/395357419.db2.gz BXJZILNCYQSTNS-GJZGRUSLSA-N 2 1 283.460 2.094 20 0 CEADMP CCC[C@@H]1CN(C[C@@H](C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000420371183 395357589 /nfs/dbraw/zinc/35/75/89/395357589.db2.gz KIDKTTJHWVSIOU-NVXWUHKLSA-N 2 1 275.440 2.320 20 0 CEADMP CC[N@H+](CC(=O)NC1CCC(C)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435622777 395378867 /nfs/dbraw/zinc/37/88/67/395378867.db2.gz APYGALZWHBHAKF-GPANFISMSA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@@H+](CC(=O)NC1CCC(C)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435622777 395378868 /nfs/dbraw/zinc/37/88/68/395378868.db2.gz APYGALZWHBHAKF-GPANFISMSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1c[nH+]cn1CC(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000529481407 395384273 /nfs/dbraw/zinc/38/42/73/395384273.db2.gz IKZBBTCMIHVJRF-UHFFFAOYSA-N 2 1 286.379 2.200 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000442771594 395393493 /nfs/dbraw/zinc/39/34/93/395393493.db2.gz UGLRFVLPFLLLJU-ZIAGYGMSSA-N 2 1 297.402 2.447 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000442771594 395393495 /nfs/dbraw/zinc/39/34/95/395393495.db2.gz UGLRFVLPFLLLJU-ZIAGYGMSSA-N 2 1 297.402 2.447 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCCCC1CCCCC1 ZINC000442779009 395395054 /nfs/dbraw/zinc/39/50/54/395395054.db2.gz LIFIIFUSTUEHLC-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCCCC1CCCCC1 ZINC000442779009 395395056 /nfs/dbraw/zinc/39/50/56/395395056.db2.gz LIFIIFUSTUEHLC-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442780197 395395059 /nfs/dbraw/zinc/39/50/59/395395059.db2.gz NPMKQGVYXGCALG-UTUOFQBUSA-N 2 1 295.814 2.336 20 0 CEADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442780197 395395061 /nfs/dbraw/zinc/39/50/61/395395061.db2.gz NPMKQGVYXGCALG-UTUOFQBUSA-N 2 1 295.814 2.336 20 0 CEADMP CCc1nccn1[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420326107 395328096 /nfs/dbraw/zinc/32/80/96/395328096.db2.gz XBBLMFQAPXBNSS-CABCVRRESA-N 2 1 276.428 2.082 20 0 CEADMP CN(CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420328748 395330975 /nfs/dbraw/zinc/33/09/75/395330975.db2.gz MXYBSIORWSNYBL-SJORKVTESA-N 2 1 287.451 2.444 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335396 395333258 /nfs/dbraw/zinc/33/32/58/395333258.db2.gz UVCUQDWHSSWFMN-DLBZAZTESA-N 3 1 279.472 2.184 20 0 CEADMP C(CN1CCCCC1)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335396 395333262 /nfs/dbraw/zinc/33/32/62/395333262.db2.gz UVCUQDWHSSWFMN-DLBZAZTESA-N 2 1 279.472 2.184 20 0 CEADMP C(CN1CCCCC1)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335396 395333269 /nfs/dbraw/zinc/33/32/69/395333269.db2.gz UVCUQDWHSSWFMN-DLBZAZTESA-N 2 1 279.472 2.184 20 0 CEADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000411892179 395340432 /nfs/dbraw/zinc/34/04/32/395340432.db2.gz JRHDXKWIUXDWPB-OIISXLGYSA-N 2 1 274.408 2.373 20 0 CEADMP Fc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CO2 ZINC000297385821 395340564 /nfs/dbraw/zinc/34/05/64/395340564.db2.gz IXFYQCYVDHAIJG-HNNXBMFYSA-N 2 1 290.382 2.346 20 0 CEADMP C[C@H](C[N@@H+](C)CC[C@H]1CC[NH2+]C1)c1nccs1 ZINC000420359445 395346755 /nfs/dbraw/zinc/34/67/55/395346755.db2.gz KONUWBUYQXDZBZ-VXGBXAGGSA-N 2 1 253.415 2.178 20 0 CEADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CCOCC[NH3+])c1 ZINC000420361256 395347868 /nfs/dbraw/zinc/34/78/68/395347868.db2.gz MYKNDUMHXZBKSP-INIZCTEOSA-N 2 1 262.397 2.416 20 0 CEADMP C[NH2+]CCC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000420360862 395347909 /nfs/dbraw/zinc/34/79/09/395347909.db2.gz MKCKXXQBMPUOGH-UHFFFAOYSA-N 2 1 280.387 2.416 20 0 CEADMP c1ccc(C[C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000420362064 395348537 /nfs/dbraw/zinc/34/85/37/395348537.db2.gz NYKGKADYNALNAV-GOSISDBHSA-N 2 1 288.435 2.320 20 0 CEADMP CC(C)[C@@H]1CN(C)CCN1C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412115873 395349060 /nfs/dbraw/zinc/34/90/60/395349060.db2.gz BHDUWQWNOQCTGH-FZKCQIBNSA-N 2 1 295.471 2.046 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412115873 395349067 /nfs/dbraw/zinc/34/90/67/395349067.db2.gz BHDUWQWNOQCTGH-FZKCQIBNSA-N 2 1 295.471 2.046 20 0 CEADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412115873 395349071 /nfs/dbraw/zinc/34/90/71/395349071.db2.gz BHDUWQWNOQCTGH-FZKCQIBNSA-N 2 1 295.471 2.046 20 0 CEADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412115873 395349074 /nfs/dbraw/zinc/34/90/74/395349074.db2.gz BHDUWQWNOQCTGH-FZKCQIBNSA-N 2 1 295.471 2.046 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420362812 395349822 /nfs/dbraw/zinc/34/98/22/395349822.db2.gz IWDKMPVUDXKNRL-HEHGZKQESA-N 2 1 262.397 2.214 20 0 CEADMP C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000435140144 395350880 /nfs/dbraw/zinc/35/08/80/395350880.db2.gz YUCGRWYXKPPDOR-ZDUSSCGKSA-N 2 1 288.395 2.443 20 0 CEADMP C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000435140144 395350885 /nfs/dbraw/zinc/35/08/85/395350885.db2.gz YUCGRWYXKPPDOR-ZDUSSCGKSA-N 2 1 288.395 2.443 20 0 CEADMP C[NH+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000435140144 395350888 /nfs/dbraw/zinc/35/08/88/395350888.db2.gz YUCGRWYXKPPDOR-ZDUSSCGKSA-N 2 1 288.395 2.443 20 0 CEADMP C[NH+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000435140144 395350892 /nfs/dbraw/zinc/35/08/92/395350892.db2.gz YUCGRWYXKPPDOR-ZDUSSCGKSA-N 2 1 288.395 2.443 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC2CCC2)[C@H](C)C1 ZINC000445433663 395463394 /nfs/dbraw/zinc/46/33/94/395463394.db2.gz GITLSCGIPQPHSA-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC2CCC2)[C@H](C)C1 ZINC000445433663 395463395 /nfs/dbraw/zinc/46/33/95/395463395.db2.gz GITLSCGIPQPHSA-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC2CCC2)[C@H](C)C1 ZINC000445433663 395463396 /nfs/dbraw/zinc/46/33/96/395463396.db2.gz GITLSCGIPQPHSA-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000193123433 395403143 /nfs/dbraw/zinc/40/31/43/395403143.db2.gz DGWTXCIZYYVYLH-KGLIPLIRSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000444174490 395419792 /nfs/dbraw/zinc/41/97/92/395419792.db2.gz XJYFZFHPTHUUGA-CZUORRHYSA-N 2 1 287.407 2.361 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000420919900 395435233 /nfs/dbraw/zinc/43/52/33/395435233.db2.gz IULKOVZRMDHNSM-NRSFXHEJSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000420919900 395435235 /nfs/dbraw/zinc/43/52/35/395435235.db2.gz IULKOVZRMDHNSM-NRSFXHEJSA-N 2 1 288.435 2.258 20 0 CEADMP CC[C@@H]1[C@@H](CO)CC[N@H+]1CCCCn1ccnc1C ZINC000448549451 395514526 /nfs/dbraw/zinc/51/45/26/395514526.db2.gz WLBWVJYVERODNQ-HUUCEWRRSA-N 2 1 265.401 2.065 20 0 CEADMP CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000448549451 395514528 /nfs/dbraw/zinc/51/45/28/395514528.db2.gz WLBWVJYVERODNQ-HUUCEWRRSA-N 2 1 265.401 2.065 20 0 CEADMP CC[C@@H]1[C@@H](CO)CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000448549451 395514530 /nfs/dbraw/zinc/51/45/30/395514530.db2.gz WLBWVJYVERODNQ-HUUCEWRRSA-N 2 1 265.401 2.065 20 0 CEADMP Cn1c[nH+]cc1CCCN1CC[NH+](C2CCCCC2)CC1 ZINC000566414762 395519995 /nfs/dbraw/zinc/51/99/95/395519995.db2.gz RNNJCNVRZJZURD-UHFFFAOYSA-N 2 1 290.455 2.303 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCCCC[C@H]2C(=O)OC)CC1 ZINC000449412437 395546335 /nfs/dbraw/zinc/54/63/35/395546335.db2.gz CRLTZHUSCCMGBP-CABCVRRESA-N 2 1 282.428 2.182 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000566481144 395530186 /nfs/dbraw/zinc/53/01/86/395530186.db2.gz AGYITNDJEXOLFR-QLFBSQMISA-N 2 1 267.461 2.356 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(C)s1 ZINC000567893060 395540168 /nfs/dbraw/zinc/54/01/68/395540168.db2.gz MPPLZJQEBZUBHC-NSHDSACASA-N 2 1 282.409 2.014 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(C)s1 ZINC000567893060 395540171 /nfs/dbraw/zinc/54/01/71/395540171.db2.gz MPPLZJQEBZUBHC-NSHDSACASA-N 2 1 282.409 2.014 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC(CC)(CC)C2)CC1 ZINC000446712606 395496045 /nfs/dbraw/zinc/49/60/45/395496045.db2.gz SNMCAFLTXYLCPN-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC(CC)(CC)C2)CC1 ZINC000446712606 395496048 /nfs/dbraw/zinc/49/60/48/395496048.db2.gz SNMCAFLTXYLCPN-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451220830 395595612 /nfs/dbraw/zinc/59/56/12/395595612.db2.gz WQCHGSDGYOHSOW-LSDHHAIUSA-N 2 1 295.471 2.084 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451220830 395595613 /nfs/dbraw/zinc/59/56/13/395595613.db2.gz WQCHGSDGYOHSOW-LSDHHAIUSA-N 2 1 295.471 2.084 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451220830 395595614 /nfs/dbraw/zinc/59/56/14/395595614.db2.gz WQCHGSDGYOHSOW-LSDHHAIUSA-N 2 1 295.471 2.084 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451220827 395595630 /nfs/dbraw/zinc/59/56/30/395595630.db2.gz WQCHGSDGYOHSOW-CABCVRRESA-N 2 1 295.471 2.084 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451220827 395595631 /nfs/dbraw/zinc/59/56/31/395595631.db2.gz WQCHGSDGYOHSOW-CABCVRRESA-N 2 1 295.471 2.084 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451220827 395595632 /nfs/dbraw/zinc/59/56/32/395595632.db2.gz WQCHGSDGYOHSOW-CABCVRRESA-N 2 1 295.471 2.084 20 0 CEADMP O[C@@H]1CCC[C@H]1[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000451423890 395616930 /nfs/dbraw/zinc/61/69/30/395616930.db2.gz RXVYFADISAWPIW-YESZJQIVSA-N 2 1 280.456 2.488 20 0 CEADMP CN(C)C1CC([NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000568239497 395552891 /nfs/dbraw/zinc/55/28/91/395552891.db2.gz NLKVUGNAVZWQKE-UHFFFAOYSA-N 2 1 270.323 2.470 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000569217895 395575399 /nfs/dbraw/zinc/57/53/99/395575399.db2.gz OCEAHLYCTINKJT-ZNMIVQPWSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H]1CC[N@@H+](CC(=O)N(CC[NH+](C)C)C2CCCCC2)C1 ZINC000574051897 395625849 /nfs/dbraw/zinc/62/58/49/395625849.db2.gz OJVKZWHDJSPVMP-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP Fc1ccccc1OCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574400828 395629187 /nfs/dbraw/zinc/62/91/87/395629187.db2.gz YQXXSPYYUBJDAR-INIZCTEOSA-N 2 1 278.371 2.280 20 0 CEADMP Fc1ccccc1OCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574400828 395629188 /nfs/dbraw/zinc/62/91/88/395629188.db2.gz YQXXSPYYUBJDAR-INIZCTEOSA-N 2 1 278.371 2.280 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CC(OC(C)C)C1 ZINC000574902698 395640468 /nfs/dbraw/zinc/64/04/68/395640468.db2.gz XBOGOIKJDSCBDM-UHFFFAOYSA-N 2 1 265.401 2.469 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CC(OC(C)C)C1 ZINC000574902698 395640469 /nfs/dbraw/zinc/64/04/69/395640469.db2.gz XBOGOIKJDSCBDM-UHFFFAOYSA-N 2 1 265.401 2.469 20 0 CEADMP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CO2 ZINC000493907885 395677929 /nfs/dbraw/zinc/67/79/29/395677929.db2.gz PXUSFJPQQVHDNP-GOEBONIOSA-N 2 1 286.419 2.454 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cnn(C)c1 ZINC000647344400 395707019 /nfs/dbraw/zinc/70/70/19/395707019.db2.gz PVKBGOUXDYGDHC-OLMNPRSZSA-N 2 1 298.434 2.416 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cnn(C)c1 ZINC000647344400 395707022 /nfs/dbraw/zinc/70/70/22/395707022.db2.gz PVKBGOUXDYGDHC-OLMNPRSZSA-N 2 1 298.434 2.416 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cnc3ccc(C)cn23)CC[C@H]1[NH3+] ZINC000647498101 395721641 /nfs/dbraw/zinc/72/16/41/395721641.db2.gz AEQCQCJIBVVEHN-UKRRQHHQSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cnc3ccc(C)cn23)CC[C@H]1[NH3+] ZINC000647498101 395721644 /nfs/dbraw/zinc/72/16/44/395721644.db2.gz AEQCQCJIBVVEHN-UKRRQHHQSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2cccnc2)CC[C@@H]1[NH3+] ZINC000647498989 395722734 /nfs/dbraw/zinc/72/27/34/395722734.db2.gz WJLVSAPHXOSGFA-CJNGLKHVSA-N 2 1 299.422 2.041 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H]([NH3+])C(C)C)o1 ZINC000647546714 395732032 /nfs/dbraw/zinc/73/20/32/395732032.db2.gz XHTGLPGPURPEPH-CYBMUJFWSA-N 2 1 276.384 2.061 20 0 CEADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC000647548628 395732806 /nfs/dbraw/zinc/73/28/06/395732806.db2.gz LNFRCVFSEZOMHU-IUODEOHRSA-N 2 1 250.361 2.346 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000647536664 395728633 /nfs/dbraw/zinc/72/86/33/395728633.db2.gz SCVZAYIYFBJTGX-MRXNPFEDSA-N 2 1 255.365 2.406 20 0 CEADMP C(C1CCOCC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543855 395731223 /nfs/dbraw/zinc/73/12/23/395731223.db2.gz SXQVXVVFIFUWRN-HZPDHXFCSA-N 2 1 266.429 2.125 20 0 CEADMP CCn1nccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543473 395731411 /nfs/dbraw/zinc/73/14/11/395731411.db2.gz OFEUHLYMOZTXII-CABCVRRESA-N 2 1 276.428 2.115 20 0 CEADMP C([C@@H]1CCSC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543463 395731534 /nfs/dbraw/zinc/73/15/34/395731534.db2.gz OBRNRNXMNSXZRD-RRFJBIMHSA-N 2 1 268.470 2.451 20 0 CEADMP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543985 395731693 /nfs/dbraw/zinc/73/16/93/395731693.db2.gz VHVMOUCCTDLNFF-CABCVRRESA-N 3 1 267.461 2.086 20 0 CEADMP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543985 395731694 /nfs/dbraw/zinc/73/16/94/395731694.db2.gz VHVMOUCCTDLNFF-CABCVRRESA-N 3 1 267.461 2.086 20 0 CEADMP C(C[NH2+]C1CCCCCC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647546564 395731829 /nfs/dbraw/zinc/73/18/29/395731829.db2.gz PLKVDNVBDNOWBV-ZMSDIMECSA-N 2 1 279.472 2.277 20 0 CEADMP C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)NC1CCCCCC1 ZINC000647546564 395731831 /nfs/dbraw/zinc/73/18/31/395731831.db2.gz PLKVDNVBDNOWBV-ZMSDIMECSA-N 2 1 279.472 2.277 20 0 CEADMP Cc1cc(CC[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)cc(C)c1O ZINC000647551400 395733912 /nfs/dbraw/zinc/73/39/12/395733912.db2.gz MISWGMLDVSJJFN-XHDPSFHLSA-N 2 1 262.397 2.139 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c2c1C ZINC000647707399 395747549 /nfs/dbraw/zinc/74/75/49/395747549.db2.gz KEELGMPDQPXRQS-AVGNSLFASA-N 2 1 285.395 2.138 20 0 CEADMP CN(C)CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000647795351 395756163 /nfs/dbraw/zinc/75/61/63/395756163.db2.gz NZXIKCLYGQIETM-OWCLPIDISA-N 2 1 279.472 2.086 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798165 395756948 /nfs/dbraw/zinc/75/69/48/395756948.db2.gz MTNRTAAGVGQQPP-KLHDSHLOSA-N 3 1 267.461 2.085 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798165 395756950 /nfs/dbraw/zinc/75/69/50/395756950.db2.gz MTNRTAAGVGQQPP-KLHDSHLOSA-N 3 1 267.461 2.085 20 0 CEADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCCc2ccc(F)cc21 ZINC000647836263 395762006 /nfs/dbraw/zinc/76/20/06/395762006.db2.gz ZLUNBSCXLJHXHZ-QGZVFWFLSA-N 2 1 291.414 2.040 20 0 CEADMP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647873493 395766879 /nfs/dbraw/zinc/76/68/79/395766879.db2.gz PZOWMOCOEMIVEM-BBRMVZONSA-N 2 1 290.407 2.450 20 0 CEADMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647873493 395766881 /nfs/dbraw/zinc/76/68/81/395766881.db2.gz PZOWMOCOEMIVEM-BBRMVZONSA-N 2 1 290.407 2.450 20 0 CEADMP c1ccc(C[N@H+](C[C@H]2CCCO2)C[C@H]2CC[NH2+]C2)cc1 ZINC000647881594 395767983 /nfs/dbraw/zinc/76/79/83/395767983.db2.gz QROCVWYTFAUQEL-DLBZAZTESA-N 2 1 274.408 2.277 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000647882106 395768446 /nfs/dbraw/zinc/76/84/46/395768446.db2.gz KUTVZZCFPJGHFL-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP COc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647884095 395768858 /nfs/dbraw/zinc/76/88/58/395768858.db2.gz HDFAEHYZBYHELE-UKRRQHHQSA-N 2 1 260.381 2.442 20 0 CEADMP O[C@@H]([C@@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1)C(F)(F)F ZINC000647884530 395769109 /nfs/dbraw/zinc/76/91/09/395769109.db2.gz BGBFFVVHNYUCOT-STQMWFEESA-N 2 1 294.361 2.154 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000648147506 395845721 /nfs/dbraw/zinc/84/57/21/395845721.db2.gz IVMGDCXRNKKLOO-UONOGXRCSA-N 2 1 292.427 2.045 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000648150660 395846705 /nfs/dbraw/zinc/84/67/05/395846705.db2.gz ZREOODLMAGINLY-ZNMIVQPWSA-N 2 1 295.471 2.368 20 0 CEADMP CC(C)OCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976757 395793372 /nfs/dbraw/zinc/79/33/72/395793372.db2.gz TVJKXMCFKKBHGS-GJZGRUSLSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)c1noc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647976962 395793456 /nfs/dbraw/zinc/79/34/56/395793456.db2.gz WJJSELVPAFXHJC-KBPBESRZSA-N 2 1 292.427 2.405 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@@H]1CCCO1 ZINC000647978230 395794425 /nfs/dbraw/zinc/79/44/25/395794425.db2.gz OUFSMDOXVKLHHW-PMPSAXMXSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cs1 ZINC000648370439 395895638 /nfs/dbraw/zinc/89/56/38/395895638.db2.gz FVUHPCKCIUONCT-MRXNPFEDSA-N 2 1 293.480 2.268 20 0 CEADMP Cc1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cs1 ZINC000648370439 395895639 /nfs/dbraw/zinc/89/56/39/395895639.db2.gz FVUHPCKCIUONCT-MRXNPFEDSA-N 2 1 293.480 2.268 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CCO1 ZINC000648560098 395929697 /nfs/dbraw/zinc/92/96/97/395929697.db2.gz NIIAOMVQQXTDEX-ARFHVFGLSA-N 2 1 284.444 2.035 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CCO1 ZINC000648560098 395929702 /nfs/dbraw/zinc/92/97/02/395929702.db2.gz NIIAOMVQQXTDEX-ARFHVFGLSA-N 2 1 284.444 2.035 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000648871168 396006270 /nfs/dbraw/zinc/00/62/70/396006270.db2.gz QWCVDHCBVCTLMS-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000648871168 396006275 /nfs/dbraw/zinc/00/62/75/396006275.db2.gz QWCVDHCBVCTLMS-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CCO1 ZINC000648871185 396006715 /nfs/dbraw/zinc/00/67/15/396006715.db2.gz YXRCDNMVKWYSKC-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)CCO1 ZINC000648871185 396006717 /nfs/dbraw/zinc/00/67/17/396006717.db2.gz YXRCDNMVKWYSKC-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP CCc1nccn1[C@H](C)CC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000648908755 396015456 /nfs/dbraw/zinc/01/54/56/396015456.db2.gz IYFUXXDRNTVNCU-ZIAGYGMSSA-N 2 1 294.443 2.242 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000648908755 396015457 /nfs/dbraw/zinc/01/54/57/396015457.db2.gz IYFUXXDRNTVNCU-ZIAGYGMSSA-N 2 1 294.443 2.242 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000648908755 396015458 /nfs/dbraw/zinc/01/54/58/396015458.db2.gz IYFUXXDRNTVNCU-ZIAGYGMSSA-N 2 1 294.443 2.242 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649295380 396115387 /nfs/dbraw/zinc/11/53/87/396115387.db2.gz FGPOHKSRBPNJOA-GASCZTMLSA-N 2 1 297.487 2.378 20 0 CEADMP CC[N@H+]1CCN(CC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000649396044 396140859 /nfs/dbraw/zinc/14/08/59/396140859.db2.gz XVTJCQGUDZOCSJ-MRXNPFEDSA-N 2 1 275.440 2.144 20 0 CEADMP CC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000649396044 396140862 /nfs/dbraw/zinc/14/08/62/396140862.db2.gz XVTJCQGUDZOCSJ-MRXNPFEDSA-N 2 1 275.440 2.144 20 0 CEADMP CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000649396044 396140864 /nfs/dbraw/zinc/14/08/64/396140864.db2.gz XVTJCQGUDZOCSJ-MRXNPFEDSA-N 2 1 275.440 2.144 20 0 CEADMP c1cncc(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000649417726 396149153 /nfs/dbraw/zinc/14/91/53/396149153.db2.gz CHKYXNFZCJUZRE-IRXDYDNUSA-N 2 1 273.424 2.336 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C2(O)CC2)CC1 ZINC000649671331 396226364 /nfs/dbraw/zinc/22/63/64/396226364.db2.gz RLBTYHAOHHNVBC-UHFFFAOYSA-N 2 1 277.412 2.209 20 0 CEADMP COCc1ccccc1/C=C(/C)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000646105547 396293968 /nfs/dbraw/zinc/29/39/68/396293968.db2.gz YWJWQWUPBAGCDX-FLRJHJGHSA-N 2 1 286.419 2.388 20 0 CEADMP COCc1ccccc1/C=C(\C)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000646105546 396294322 /nfs/dbraw/zinc/29/43/22/396294322.db2.gz YWJWQWUPBAGCDX-DRRZOZHPSA-N 2 1 286.419 2.388 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000647179307 396430772 /nfs/dbraw/zinc/43/07/72/396430772.db2.gz OYEXUZPFNUNJQN-NXHRZFHOSA-N 2 1 288.435 2.318 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CO1 ZINC000647249098 396449942 /nfs/dbraw/zinc/44/99/42/396449942.db2.gz BEABGZLARYIBKA-ORQFMDKSSA-N 2 1 274.408 2.099 20 0 CEADMP COc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1OC ZINC000049855994 400236942 /nfs/dbraw/zinc/23/69/42/400236942.db2.gz BRYBMILHOUVUTJ-UHFFFAOYSA-N 2 1 264.369 2.017 20 0 CEADMP COC1CC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309765522 400340886 /nfs/dbraw/zinc/34/08/86/400340886.db2.gz ZHMJOGGKJRRVOM-KLAILNCOSA-N 2 1 274.408 2.276 20 0 CEADMP CC(C)C1(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000638137132 400690870 /nfs/dbraw/zinc/69/08/70/400690870.db2.gz GFNVKICQZDXEOU-DLBZAZTESA-N 2 1 293.499 2.380 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707741 400997576 /nfs/dbraw/zinc/99/75/76/400997576.db2.gz MENLVHDADXBGJH-ZNMIVQPWSA-N 2 1 254.418 2.251 20 0 CEADMP CC[N@@H+](CCCN[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000650710344 401000428 /nfs/dbraw/zinc/00/04/28/401000428.db2.gz MZHSGDPAQOLZOF-HNNXBMFYSA-N 2 1 267.461 2.373 20 0 CEADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000650716666 401006430 /nfs/dbraw/zinc/00/64/30/401006430.db2.gz GIIRDEDMEUIYPY-DJIMGWMZSA-N 3 1 291.414 2.295 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000650755503 401032505 /nfs/dbraw/zinc/03/25/05/401032505.db2.gz GQKZKNDRFVYFDA-DOMZBBRYSA-N 2 1 270.380 2.398 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000651327522 401313893 /nfs/dbraw/zinc/31/38/93/401313893.db2.gz UOYQRCBWBDNUGT-INIZCTEOSA-N 2 1 269.392 2.500 20 0 CEADMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000651384167 401326757 /nfs/dbraw/zinc/32/67/57/401326757.db2.gz GXXHSBDYYFXDEE-HQSKLWIPSA-N 2 1 288.435 2.459 20 0 CEADMP CCC1(CC)CCC([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000651953231 401422924 /nfs/dbraw/zinc/42/29/24/401422924.db2.gz XSKHYKKPZPJUJE-AWEZNQCLSA-N 2 1 256.434 2.248 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC1 ZINC000651966501 401425293 /nfs/dbraw/zinc/42/52/93/401425293.db2.gz NTSZXPPGBQJENA-SJORKVTESA-N 2 1 289.423 2.376 20 0 CEADMP c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCC[NH2+]3)C1)C[NH2+]CC2 ZINC000652339763 401489987 /nfs/dbraw/zinc/48/99/87/401489987.db2.gz LHWHAEBPZIQQJA-HKUYNNGSSA-N 3 1 299.462 2.296 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]3)C1)C[NH2+]CC2 ZINC000652339763 401489990 /nfs/dbraw/zinc/48/99/90/401489990.db2.gz LHWHAEBPZIQQJA-HKUYNNGSSA-N 3 1 299.462 2.296 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)[C@H](C)CO1 ZINC000652353631 401492024 /nfs/dbraw/zinc/49/20/24/401492024.db2.gz WLUKQXMEJHUMCN-VNQPRFMTSA-N 2 1 292.423 2.237 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)[C@H](C)CO1 ZINC000652353631 401492029 /nfs/dbraw/zinc/49/20/29/401492029.db2.gz WLUKQXMEJHUMCN-VNQPRFMTSA-N 2 1 292.423 2.237 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1oc2c(cccc2C)c1C ZINC000652358433 401493325 /nfs/dbraw/zinc/49/33/25/401493325.db2.gz CSNQVPJBVANNSA-QGZVFWFLSA-N 2 1 290.407 2.452 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1oc2c(cccc2C)c1C ZINC000652358433 401493329 /nfs/dbraw/zinc/49/33/29/401493329.db2.gz CSNQVPJBVANNSA-QGZVFWFLSA-N 2 1 290.407 2.452 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000360148802 155228735 /nfs/dbraw/zinc/22/87/35/155228735.db2.gz LMYBJDSIYXULIY-CRAIPNDOSA-N 2 1 298.434 2.361 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(O)c2)CC1 ZINC000360244681 155251210 /nfs/dbraw/zinc/25/12/10/155251210.db2.gz FGKMQKZDSRSCBK-AWEZNQCLSA-N 2 1 292.423 2.024 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2cccc(O)c2)CC1 ZINC000360244682 155251269 /nfs/dbraw/zinc/25/12/69/155251269.db2.gz FGKMQKZDSRSCBK-CQSZACIVSA-N 2 1 292.423 2.024 20 0 CEADMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1[C@H]3CCO[C@@H]3C13CCCC3)C2 ZINC000375839109 296631890 /nfs/dbraw/zinc/63/18/90/296631890.db2.gz HRUMDIBOPURFKD-XNISGKROSA-N 2 1 287.407 2.135 20 0 CEADMP CCc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000306109913 289275490 /nfs/dbraw/zinc/27/54/90/289275490.db2.gz SYLISCNGTCKUOX-AWEZNQCLSA-N 2 1 250.411 2.496 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CCC2)cc1 ZINC000360435914 155297539 /nfs/dbraw/zinc/29/75/39/155297539.db2.gz IUOZIERPZLJZHW-CYBMUJFWSA-N 2 1 298.390 2.064 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000190595184 153131998 /nfs/dbraw/zinc/13/19/98/153131998.db2.gz AUWREVJNCFMMON-IAGOWNOFSA-N 2 1 280.456 2.345 20 0 CEADMP CC(C)C[C@@]1(CO)CCC[N@H+]1CCCn1ccnc1 ZINC000191662000 153184225 /nfs/dbraw/zinc/18/42/25/153184225.db2.gz ZRFCUMQAAQXING-OAHLLOKOSA-N 2 1 265.401 2.146 20 0 CEADMP CC(C)C[C@]1(CO)CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000191661664 153186535 /nfs/dbraw/zinc/18/65/35/153186535.db2.gz BNOLJTVQWUFQKD-HOTGVXAUSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192712772 153214272 /nfs/dbraw/zinc/21/42/72/153214272.db2.gz DZIUXQBIVUZDHA-NPYXIHBLSA-N 2 1 274.408 2.243 20 0 CEADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261841092 153852515 /nfs/dbraw/zinc/85/25/15/153852515.db2.gz VPSPQCJZVIMAEG-IAGOWNOFSA-N 2 1 273.424 2.117 20 0 CEADMP COc1ccccc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000269992811 154150448 /nfs/dbraw/zinc/15/04/48/154150448.db2.gz VHXIQLPBDOHDLA-CVEARBPZSA-N 2 1 274.408 2.454 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccn(C(F)F)n1 ZINC000346672287 154291851 /nfs/dbraw/zinc/29/18/51/154291851.db2.gz NHHPTHNTRONFRE-JTQLQIEISA-N 2 1 283.326 2.209 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000348998813 154308990 /nfs/dbraw/zinc/30/89/90/154308990.db2.gz KWWNTWVEPQJHBS-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000348998813 154308992 /nfs/dbraw/zinc/30/89/92/154308992.db2.gz KWWNTWVEPQJHBS-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000348998813 154308994 /nfs/dbraw/zinc/30/89/94/154308994.db2.gz KWWNTWVEPQJHBS-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000348998813 154308997 /nfs/dbraw/zinc/30/89/97/154308997.db2.gz KWWNTWVEPQJHBS-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC2CCCC2)s1 ZINC000352777991 154335652 /nfs/dbraw/zinc/33/56/52/154335652.db2.gz DTHPEKLTCZTJMW-UHFFFAOYSA-N 2 1 253.415 2.485 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000354868521 154353690 /nfs/dbraw/zinc/35/36/90/154353690.db2.gz DMBMODGXGBQTNZ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCc1cnccc1[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000359336249 154974607 /nfs/dbraw/zinc/97/46/07/154974607.db2.gz VPJRBQQBALPVDT-AWEZNQCLSA-N 2 1 291.439 2.405 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000359618337 155083335 /nfs/dbraw/zinc/08/33/35/155083335.db2.gz KFJFNZIQXLESFR-SJLPKXTDSA-N 3 1 289.467 2.438 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NCCC[N@H+](C)Cc1ccccc1 ZINC000359618337 155083342 /nfs/dbraw/zinc/08/33/42/155083342.db2.gz KFJFNZIQXLESFR-SJLPKXTDSA-N 3 1 289.467 2.438 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000359618337 155083345 /nfs/dbraw/zinc/08/33/45/155083345.db2.gz KFJFNZIQXLESFR-SJLPKXTDSA-N 3 1 289.467 2.438 20 0 CEADMP CN(C)c1cc(NC(=O)c2cccc(C[NH+](C)C)c2)cc[nH+]1 ZINC000359649449 155098780 /nfs/dbraw/zinc/09/87/80/155098780.db2.gz NNXZTLNECIBKGB-UHFFFAOYSA-N 2 1 298.390 2.462 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000362219587 155785913 /nfs/dbraw/zinc/78/59/13/155785913.db2.gz OCSCCWGVGUKBNL-AWEZNQCLSA-N 2 1 285.395 2.106 20 0 CEADMP Cc1cncc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000364147508 156065278 /nfs/dbraw/zinc/06/52/78/156065278.db2.gz MAAAYGQUANAYEZ-IKGGRYGDSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cncc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000364147508 156065279 /nfs/dbraw/zinc/06/52/79/156065279.db2.gz MAAAYGQUANAYEZ-IKGGRYGDSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cncc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000364147508 156065283 /nfs/dbraw/zinc/06/52/83/156065283.db2.gz MAAAYGQUANAYEZ-IKGGRYGDSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cncc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000364147508 156065284 /nfs/dbraw/zinc/06/52/84/156065284.db2.gz MAAAYGQUANAYEZ-IKGGRYGDSA-N 2 1 271.408 2.306 20 0 CEADMP C(C[N@H+]1CC[C@@]2(C1)CCCOC2)C[NH+]1CCCCC1 ZINC000366946092 156103711 /nfs/dbraw/zinc/10/37/11/156103711.db2.gz REBPFGSNDFSDGX-MRXNPFEDSA-N 2 1 266.429 2.365 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOCC12CCCC2 ZINC000367096373 156131120 /nfs/dbraw/zinc/13/11/20/156131120.db2.gz LDOAXSYIIMSUBP-UHFFFAOYSA-N 2 1 263.385 2.227 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCOCC12CCCC2 ZINC000367096373 156131122 /nfs/dbraw/zinc/13/11/22/156131122.db2.gz LDOAXSYIIMSUBP-UHFFFAOYSA-N 2 1 263.385 2.227 20 0 CEADMP Cc1nc(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cs1 ZINC000367303857 156162083 /nfs/dbraw/zinc/16/20/83/156162083.db2.gz YVDKXWROKPVEAU-KBMXLJTQSA-N 2 1 291.464 2.410 20 0 CEADMP Cc1nc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cs1 ZINC000367303857 156162088 /nfs/dbraw/zinc/16/20/88/156162088.db2.gz YVDKXWROKPVEAU-KBMXLJTQSA-N 2 1 291.464 2.410 20 0 CEADMP Cc1nc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cs1 ZINC000367303857 156162095 /nfs/dbraw/zinc/16/20/95/156162095.db2.gz YVDKXWROKPVEAU-KBMXLJTQSA-N 2 1 291.464 2.410 20 0 CEADMP Cc1nc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cs1 ZINC000367303857 156162097 /nfs/dbraw/zinc/16/20/97/156162097.db2.gz YVDKXWROKPVEAU-KBMXLJTQSA-N 2 1 291.464 2.410 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(O)c2)[C@@H]2CCC[C@@H]21 ZINC000367599152 156213429 /nfs/dbraw/zinc/21/34/29/156213429.db2.gz GRTORPLBEGCJHO-JYJNAYRXSA-N 2 1 260.381 2.355 20 0 CEADMP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000367611134 156213905 /nfs/dbraw/zinc/21/39/05/156213905.db2.gz AHOQDQYNSUVPPU-BZUAXINKSA-N 2 1 288.439 2.110 20 0 CEADMP C[NH+](C)CC(C)(C)CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367601260 156214048 /nfs/dbraw/zinc/21/40/48/156214048.db2.gz NFGXPDDDZPHGGX-ZNMIVQPWSA-N 2 1 267.461 2.037 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367601260 156214049 /nfs/dbraw/zinc/21/40/49/156214049.db2.gz NFGXPDDDZPHGGX-ZNMIVQPWSA-N 3 1 267.461 2.037 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367601260 156214053 /nfs/dbraw/zinc/21/40/53/156214053.db2.gz NFGXPDDDZPHGGX-ZNMIVQPWSA-N 3 1 267.461 2.037 20 0 CEADMP c1[nH]nc2c1[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC000367598371 156215293 /nfs/dbraw/zinc/21/52/93/156215293.db2.gz QPWRNNDHIWWZCG-OAHLLOKOSA-N 2 1 274.412 2.251 20 0 CEADMP c1[nH]nc2c1[C@H]([NH2+]CCC[NH+]1CCCCC1)CCC2 ZINC000367617705 156217137 /nfs/dbraw/zinc/21/71/37/156217137.db2.gz RDDZIARKBPWYTJ-CQSZACIVSA-N 2 1 262.401 2.253 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccccn2)[C@@H]2CCC[C@H]21 ZINC000367617993 156218801 /nfs/dbraw/zinc/21/88/01/156218801.db2.gz OCUNSARNMSIYFU-YESZJQIVSA-N 2 1 273.424 2.477 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000368174196 156301003 /nfs/dbraw/zinc/30/10/03/156301003.db2.gz DOVMVDPGXHKJQF-WCQYABFASA-N 2 1 298.394 2.008 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000368174196 156301008 /nfs/dbraw/zinc/30/10/08/156301008.db2.gz DOVMVDPGXHKJQF-WCQYABFASA-N 2 1 298.394 2.008 20 0 CEADMP Cc1cccnc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000368268782 156311517 /nfs/dbraw/zinc/31/15/17/156311517.db2.gz ZRTOBJCDWDUYEZ-LSDHHAIUSA-N 2 1 273.424 2.494 20 0 CEADMP CC[NH+]1CCC([N@H+](C[C@@H](O)COC(C)(C)C)C2CC2)CC1 ZINC000374980046 157035948 /nfs/dbraw/zinc/03/59/48/157035948.db2.gz NHHBVCRSOMIUCV-MRXNPFEDSA-N 2 1 298.471 2.111 20 0 CEADMP CC[NH+]1CCC([N@@H+](C[C@@H](O)COC(C)(C)C)C2CC2)CC1 ZINC000374980046 157035950 /nfs/dbraw/zinc/03/59/50/157035950.db2.gz NHHBVCRSOMIUCV-MRXNPFEDSA-N 2 1 298.471 2.111 20 0 CEADMP C(C[NH+]1CCCC1)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375469389 157103178 /nfs/dbraw/zinc/10/31/78/157103178.db2.gz MAEZVDFFPQRRJX-AWEZNQCLSA-N 2 1 290.411 2.222 20 0 CEADMP C(C[NH+]1CCCC1)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375469389 157103181 /nfs/dbraw/zinc/10/31/81/157103181.db2.gz MAEZVDFFPQRRJX-AWEZNQCLSA-N 2 1 290.411 2.222 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000375544520 157110198 /nfs/dbraw/zinc/11/01/98/157110198.db2.gz DZLDHHAXOVWDJO-INIZCTEOSA-N 2 1 277.412 2.473 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2cnccn2)CC1 ZINC000375673730 157125120 /nfs/dbraw/zinc/12/51/20/157125120.db2.gz QXDHMIJNVUSMBZ-OAHLLOKOSA-N 2 1 274.412 2.140 20 0 CEADMP Cc1cnn(C)c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000375690550 157125410 /nfs/dbraw/zinc/12/54/10/157125410.db2.gz QGZAOZDCBRSEML-UHFFFAOYSA-N 2 1 290.455 2.473 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(CO)cc2)CC1 ZINC000375946243 157166480 /nfs/dbraw/zinc/16/64/80/157166480.db2.gz ILTUEWTUBRSVLR-MRXNPFEDSA-N 2 1 262.397 2.095 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnn3ccccc23)[C@H]2CCC[C@H]21 ZINC000376110910 157185057 /nfs/dbraw/zinc/18/50/57/157185057.db2.gz CANOHXXGWAPFRA-HLLBOEOZSA-N 2 1 284.407 2.297 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000151117436 162303247 /nfs/dbraw/zinc/30/32/47/162303247.db2.gz WPQRUKDOCAHIIE-MRXNPFEDSA-N 2 1 297.487 2.441 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168653807 162368589 /nfs/dbraw/zinc/36/85/89/162368589.db2.gz SRMZUNCMJJHXPS-HUUCEWRRSA-N 2 1 283.460 2.084 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168653807 162368594 /nfs/dbraw/zinc/36/85/94/162368594.db2.gz SRMZUNCMJJHXPS-HUUCEWRRSA-N 2 1 283.460 2.084 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000168650585 162369648 /nfs/dbraw/zinc/36/96/48/162369648.db2.gz PVGGZZPJNMLXFP-DZGCQCFKSA-N 2 1 270.380 2.041 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H](C)c2cn(C)nc2C)C1 ZINC000178510715 165243347 /nfs/dbraw/zinc/24/33/47/165243347.db2.gz HTFLZWLOHUGRTR-GXTWGEPZSA-N 2 1 264.417 2.111 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cn(C)nc2C)C1 ZINC000178510715 165243349 /nfs/dbraw/zinc/24/33/49/165243349.db2.gz HTFLZWLOHUGRTR-GXTWGEPZSA-N 2 1 264.417 2.111 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cn(C)nc2C)C1 ZINC000178510715 165243351 /nfs/dbraw/zinc/24/33/51/165243351.db2.gz HTFLZWLOHUGRTR-GXTWGEPZSA-N 2 1 264.417 2.111 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@H]1CCOC1 ZINC000180740024 165322056 /nfs/dbraw/zinc/32/20/56/165322056.db2.gz GGGVRNKZAJRMII-HOTGVXAUSA-N 2 1 296.455 2.036 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181714730 165353777 /nfs/dbraw/zinc/35/37/77/165353777.db2.gz VLVOLUZBMAROFH-MGPQQGTHSA-N 2 1 256.434 2.102 20 0 CEADMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000182093976 165362777 /nfs/dbraw/zinc/36/27/77/165362777.db2.gz VJPYQVQEOTYJFE-CYBMUJFWSA-N 2 1 259.353 2.468 20 0 CEADMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000182093976 165362778 /nfs/dbraw/zinc/36/27/78/165362778.db2.gz VJPYQVQEOTYJFE-CYBMUJFWSA-N 2 1 259.353 2.468 20 0 CEADMP CC[C@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](CC)C3)COC2)C1 ZINC000182226236 165367173 /nfs/dbraw/zinc/36/71/73/165367173.db2.gz HMXZYCGIUROFFA-HOTGVXAUSA-N 2 1 280.456 2.467 20 0 CEADMP CCC[N@H+](CC(=O)N1CCCC[C@H]1CC)C1CC[NH2+]CC1 ZINC000037538877 173258916 /nfs/dbraw/zinc/25/89/16/173258916.db2.gz VWZVSZSURHEXGB-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@@H+](CC(=O)N1CCCC[C@H]1CC)C1CC[NH2+]CC1 ZINC000037538877 173258917 /nfs/dbraw/zinc/25/89/17/173258917.db2.gz VWZVSZSURHEXGB-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH2+]C[C@H]1CCCN(Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000040601357 174351451 /nfs/dbraw/zinc/35/14/51/174351451.db2.gz XQSQKJOPCMTDAP-CQSZACIVSA-N 2 1 277.412 2.138 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000660310639 414765417 /nfs/dbraw/zinc/76/54/17/414765417.db2.gz BWZHIPLJNRJNJF-KFWWJZLASA-N 2 1 270.461 2.492 20 0 CEADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)[C@@H]1CCCCO1 ZINC000653875018 414768808 /nfs/dbraw/zinc/76/88/08/414768808.db2.gz NXDSVSPCZMPMJU-KGLIPLIRSA-N 2 1 251.374 2.129 20 0 CEADMP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404270597 414777320 /nfs/dbraw/zinc/77/73/20/414777320.db2.gz KIJRKPZILSLZJJ-LSDHHAIUSA-N 2 1 283.460 2.084 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404270597 414777327 /nfs/dbraw/zinc/77/73/27/414777327.db2.gz KIJRKPZILSLZJJ-LSDHHAIUSA-N 2 1 283.460 2.084 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000404371160 414780989 /nfs/dbraw/zinc/78/09/89/414780989.db2.gz IYLIKYJDVYCYHJ-GXFFZTMASA-N 2 1 253.415 2.401 20 0 CEADMP C[C@H]1CCC[N@@H+](CCOCC(F)(F)F)[C@@H]1CC[NH3+] ZINC000404355151 414781416 /nfs/dbraw/zinc/78/14/16/414781416.db2.gz ZAEOZEBKLYVYAI-WDEREUQCSA-N 2 1 268.323 2.015 20 0 CEADMP CC(C)[NH+](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000400921429 414748418 /nfs/dbraw/zinc/74/84/18/414748418.db2.gz FZUVJBFSVAYSJW-ARFHVFGLSA-N 3 1 267.461 2.083 20 0 CEADMP CC(C)[NH+](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000400921430 414748682 /nfs/dbraw/zinc/74/86/82/414748682.db2.gz FZUVJBFSVAYSJW-BZUAXINKSA-N 3 1 267.461 2.083 20 0 CEADMP CC[C@H]1C[N@H+](CCOc2ccccc2F)CC[C@@H]1[NH3+] ZINC000122892684 414791173 /nfs/dbraw/zinc/79/11/73/414791173.db2.gz ATRREGDGRDAUKU-JSGCOSHPSA-N 2 1 266.360 2.264 20 0 CEADMP CC[C@H]1C[N@@H+](CCOc2ccccc2F)CC[C@@H]1[NH3+] ZINC000122892684 414791180 /nfs/dbraw/zinc/79/11/80/414791180.db2.gz ATRREGDGRDAUKU-JSGCOSHPSA-N 2 1 266.360 2.264 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nccn1C(C)C ZINC000657318788 414857127 /nfs/dbraw/zinc/85/71/27/414857127.db2.gz OEUOVDLTOLBCAJ-UHFFFAOYSA-N 2 1 261.373 2.149 20 0 CEADMP CO[C@@H](CC(C)C)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662403 414925564 /nfs/dbraw/zinc/92/55/64/414925564.db2.gz JUKWOQYBTLJONT-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@@H](CC(C)C)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662403 414925566 /nfs/dbraw/zinc/92/55/66/414925566.db2.gz JUKWOQYBTLJONT-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@@H](CC(C)C)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662403 414925569 /nfs/dbraw/zinc/92/55/69/414925569.db2.gz JUKWOQYBTLJONT-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000653175883 414937991 /nfs/dbraw/zinc/93/79/91/414937991.db2.gz FBBCXYWFCAJSGB-MQVJKMGUSA-N 2 1 295.471 2.001 20 0 CEADMP COc1cccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c1F ZINC000663503367 414973307 /nfs/dbraw/zinc/97/33/07/414973307.db2.gz QIMAASVXVBQRKC-GFCCVEGCSA-N 2 1 254.349 2.297 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](CC(F)(F)F)C2)CC[NH2+]1 ZINC000663506996 414975931 /nfs/dbraw/zinc/97/59/31/414975931.db2.gz QTLYNGCDYQQFLU-IJLUTSLNSA-N 2 1 280.334 2.028 20 0 CEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000663512122 414979481 /nfs/dbraw/zinc/97/94/81/414979481.db2.gz FMIWFPXBCNHWNQ-CHWSQXEVSA-N 2 1 250.386 2.214 20 0 CEADMP C[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)c1ccccn1 ZINC000657534543 414991517 /nfs/dbraw/zinc/99/15/17/414991517.db2.gz HJJCVGNSQHARSM-CYBMUJFWSA-N 2 1 270.380 2.436 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000657562286 415003121 /nfs/dbraw/zinc/00/31/21/415003121.db2.gz MEGGOIBPNQLINO-RDBSUJKOSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000657562286 415003123 /nfs/dbraw/zinc/00/31/23/415003123.db2.gz MEGGOIBPNQLINO-RDBSUJKOSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C(C)(C)C)C2)C[NH+]1C1CC1 ZINC000657562286 415003128 /nfs/dbraw/zinc/00/31/28/415003128.db2.gz MEGGOIBPNQLINO-RDBSUJKOSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C(C)(C)C)C2)C[NH+]1C1CC1 ZINC000657562286 415003129 /nfs/dbraw/zinc/00/31/29/415003129.db2.gz MEGGOIBPNQLINO-RDBSUJKOSA-N 2 1 265.445 2.074 20 0 CEADMP CC[C@H](C)C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657595274 415016495 /nfs/dbraw/zinc/01/64/95/415016495.db2.gz GCCWSWXRGONZRZ-WMLDXEAASA-N 2 1 276.424 2.389 20 0 CEADMP CC[N@@H+](CCCNC(=O)C[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000653200877 414945203 /nfs/dbraw/zinc/94/52/03/414945203.db2.gz SNGPQJKETNDYFN-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469095 414965521 /nfs/dbraw/zinc/96/55/21/414965521.db2.gz OLVDTNFQVUEQKK-HOCLYGCPSA-N 2 1 268.445 2.249 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000653604573 415051258 /nfs/dbraw/zinc/05/12/58/415051258.db2.gz STMKMPUPFJHGJJ-ZBFHGGJFSA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000653604573 415051262 /nfs/dbraw/zinc/05/12/62/415051262.db2.gz STMKMPUPFJHGJJ-ZBFHGGJFSA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000653604572 415051471 /nfs/dbraw/zinc/05/14/71/415051471.db2.gz STMKMPUPFJHGJJ-HOCLYGCPSA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000653604572 415051474 /nfs/dbraw/zinc/05/14/74/415051474.db2.gz STMKMPUPFJHGJJ-HOCLYGCPSA-N 2 1 264.413 2.267 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+](C)CCC1CCCCC1 ZINC000653535245 415026901 /nfs/dbraw/zinc/02/69/01/415026901.db2.gz MEJJVRIBGPAYLO-OAHLLOKOSA-N 2 1 256.434 2.201 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCC1CCCCC1 ZINC000653535245 415026906 /nfs/dbraw/zinc/02/69/06/415026906.db2.gz MEJJVRIBGPAYLO-OAHLLOKOSA-N 2 1 256.434 2.201 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCC1CCCCC1 ZINC000653535245 415026910 /nfs/dbraw/zinc/02/69/10/415026910.db2.gz MEJJVRIBGPAYLO-OAHLLOKOSA-N 2 1 256.434 2.201 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@H+](C[C@@H](O)C[NH+](C)CC)C1CC1 ZINC000653547329 415029712 /nfs/dbraw/zinc/02/97/12/415029712.db2.gz HRUNHXDSMPYCEI-GUTXKFCHSA-N 2 1 256.434 2.198 20 0 CEADMP CC[C@H](C)[C@@H](C)[N@@H+](C[C@@H](O)C[NH+](C)CC)C1CC1 ZINC000653547329 415029717 /nfs/dbraw/zinc/02/97/17/415029717.db2.gz HRUNHXDSMPYCEI-GUTXKFCHSA-N 2 1 256.434 2.198 20 0 CEADMP CC[C@H](C)[C@@H](C)[NH+](C[C@@H](O)C[N@H+](C)CC)C1CC1 ZINC000653547329 415029723 /nfs/dbraw/zinc/02/97/23/415029723.db2.gz HRUNHXDSMPYCEI-GUTXKFCHSA-N 2 1 256.434 2.198 20 0 CEADMP CC[C@H](C)[C@@H](C)[NH+](C[C@@H](O)C[N@@H+](C)CC)C1CC1 ZINC000653547329 415029728 /nfs/dbraw/zinc/02/97/28/415029728.db2.gz HRUNHXDSMPYCEI-GUTXKFCHSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1C1CCC1 ZINC000660907926 415031975 /nfs/dbraw/zinc/03/19/75/415031975.db2.gz WIHRUBAJNTZFRZ-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000660907926 415031978 /nfs/dbraw/zinc/03/19/78/415031978.db2.gz WIHRUBAJNTZFRZ-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000660907926 415031984 /nfs/dbraw/zinc/03/19/84/415031984.db2.gz WIHRUBAJNTZFRZ-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000660926159 415038573 /nfs/dbraw/zinc/03/85/73/415038573.db2.gz MHMJCJXROGBESQ-JSGCOSHPSA-N 2 1 292.414 2.491 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H]3CCCC[C@@H]32)CC1 ZINC000660930913 415042252 /nfs/dbraw/zinc/04/22/52/415042252.db2.gz LLVXFBDIJQVTML-IRXDYDNUSA-N 2 1 279.472 2.277 20 0 CEADMP CC[C@H](C)[N@@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000661109856 415099696 /nfs/dbraw/zinc/09/96/96/415099696.db2.gz UKBQKIBFEJFAHV-AWEZNQCLSA-N 2 1 283.460 2.096 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2(OC)CCC2)C1 ZINC000657845304 415102232 /nfs/dbraw/zinc/10/22/32/415102232.db2.gz MWTWGTBZVPSCQA-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CCC(C)(C)[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000653810727 415113177 /nfs/dbraw/zinc/11/31/77/415113177.db2.gz OGDIVYBNODAMCJ-HNNXBMFYSA-N 2 1 267.461 2.277 20 0 CEADMP COC1([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000657918441 415124922 /nfs/dbraw/zinc/12/49/22/415124922.db2.gz COGHNIPXHOIIFV-OWCLPIDISA-N 2 1 298.471 2.423 20 0 CEADMP CC(C)[NH+]1CCC(NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000658059821 415181102 /nfs/dbraw/zinc/18/11/02/415181102.db2.gz XHSQBBSDYCAKKI-HNNXBMFYSA-N 2 1 267.461 2.322 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCN2C(C)(C)C)CC1 ZINC000658059821 415181109 /nfs/dbraw/zinc/18/11/09/415181109.db2.gz XHSQBBSDYCAKKI-HNNXBMFYSA-N 2 1 267.461 2.322 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000658059815 415183502 /nfs/dbraw/zinc/18/35/02/415183502.db2.gz XFRZHQGHZUDVPT-INIZCTEOSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)(C)N1CC[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000658059815 415183512 /nfs/dbraw/zinc/18/35/12/415183512.db2.gz XFRZHQGHZUDVPT-INIZCTEOSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccn1 ZINC000658066472 415188942 /nfs/dbraw/zinc/18/89/42/415188942.db2.gz LXAFOXGPPJGKNQ-ZBFHGGJFSA-N 2 1 289.423 2.028 20 0 CEADMP Cc1cc(CO)cc(NC[C@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000664139290 415189456 /nfs/dbraw/zinc/18/94/56/415189456.db2.gz SMFKHNRITHOALW-CYBMUJFWSA-N 2 1 263.385 2.167 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](CNc2ncnc3[nH]ccc32)C1 ZINC000664138396 415189707 /nfs/dbraw/zinc/18/97/07/415189707.db2.gz PILBKOACXIDGSU-LLVKDONJSA-N 2 1 273.384 2.490 20 0 CEADMP CC(C)(C)[N@@H+]1CC[C@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000664138396 415189710 /nfs/dbraw/zinc/18/97/10/415189710.db2.gz PILBKOACXIDGSU-LLVKDONJSA-N 2 1 273.384 2.490 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](CNc2[nH+]cnc3[nH]ccc32)C1 ZINC000664138396 415189713 /nfs/dbraw/zinc/18/97/13/415189713.db2.gz PILBKOACXIDGSU-LLVKDONJSA-N 2 1 273.384 2.490 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000044530542 175195013 /nfs/dbraw/zinc/19/50/13/175195013.db2.gz ICCCTWSIYQQNLB-OAHLLOKOSA-N 2 1 270.380 2.043 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000658095712 415205807 /nfs/dbraw/zinc/20/58/07/415205807.db2.gz KKQJLPWOWACMLC-WCVJEAGWSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000658095712 415205811 /nfs/dbraw/zinc/20/58/11/415205811.db2.gz KKQJLPWOWACMLC-WCVJEAGWSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000658095712 415205821 /nfs/dbraw/zinc/20/58/21/415205821.db2.gz KKQJLPWOWACMLC-WCVJEAGWSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+](C)CCC[N@H+](C)CCNc1ncccc1Cl ZINC000664248456 415242460 /nfs/dbraw/zinc/24/24/60/415242460.db2.gz XNLNNXNFBNMYCG-UHFFFAOYSA-N 2 1 270.808 2.030 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)CCNc1ncccc1Cl ZINC000664248456 415242466 /nfs/dbraw/zinc/24/24/66/415242466.db2.gz XNLNNXNFBNMYCG-UHFFFAOYSA-N 2 1 270.808 2.030 20 0 CEADMP C[C@H](CCNc1cc[nH+]cc1Br)[NH+](C)C ZINC000664245571 415243691 /nfs/dbraw/zinc/24/36/91/415243691.db2.gz PVQIGTPHONSZRI-SECBINFHSA-N 2 1 272.190 2.018 20 0 CEADMP C[C@H](CO)[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000661443165 415268700 /nfs/dbraw/zinc/26/87/00/415268700.db2.gz MCUIOOMNDUCHRX-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cnccc2C)[C@@H](C)C1 ZINC000658125079 415220486 /nfs/dbraw/zinc/22/04/86/415220486.db2.gz KKHMKHHNUMKRBS-HOCLYGCPSA-N 2 1 261.413 2.252 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@H](OC)C2CCCCC2)CC1 ZINC000658329580 415319625 /nfs/dbraw/zinc/31/96/25/415319625.db2.gz MNQZDZNEIPVFRA-KRWDZBQOSA-N 2 1 298.471 2.282 20 0 CEADMP CC(C)CCOCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655703827 415396815 /nfs/dbraw/zinc/39/68/15/415396815.db2.gz WFIAXFZDACAWAD-QGZVFWFLSA-N 2 1 298.471 2.282 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCSCC1 ZINC000655711323 415405566 /nfs/dbraw/zinc/40/55/66/415405566.db2.gz HIZABUGVGDNULB-MRXNPFEDSA-N 2 1 298.496 2.363 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CS1 ZINC000655712830 415405808 /nfs/dbraw/zinc/40/58/08/415405808.db2.gz VZFIEIICRNDYGO-QLFBSQMISA-N 2 1 286.485 2.097 20 0 CEADMP CCC[C@@H](CCO)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655717506 415409131 /nfs/dbraw/zinc/40/91/31/415409131.db2.gz DURHSCLMVVNGNQ-DOTOQJQBSA-N 2 1 298.471 2.018 20 0 CEADMP CC1(C)C[C@@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655729751 415418136 /nfs/dbraw/zinc/41/81/36/415418136.db2.gz JOGNZSFRDAAUNV-UKRRQHHQSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H](O)CC(C)(C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655728775 415418644 /nfs/dbraw/zinc/41/86/44/415418644.db2.gz CLSYBSJNPSHIOQ-ZBFHGGJFSA-N 2 1 298.471 2.017 20 0 CEADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000655738492 415425575 /nfs/dbraw/zinc/42/55/75/415425575.db2.gz VUWIVUUZVQGZJA-HZPDHXFCSA-N 2 1 296.455 2.177 20 0 CEADMP CO[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655739031 415427284 /nfs/dbraw/zinc/42/72/84/415427284.db2.gz UMIWDMFRQVKHEE-USXIJHARSA-N 2 1 296.455 2.035 20 0 CEADMP CC1(C)C[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655741113 415428551 /nfs/dbraw/zinc/42/85/51/415428551.db2.gz FIXIRSAUNFRLIH-ZIAGYGMSSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCCCO1 ZINC000655747636 415428796 /nfs/dbraw/zinc/42/87/96/415428796.db2.gz IHSPGWAOUHURLY-UAGQMJEPSA-N 2 1 296.455 2.177 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(COC)CC2)[C@@H](C)C1 ZINC000655818386 415492168 /nfs/dbraw/zinc/49/21/68/415492168.db2.gz RDYCRXMIOJAAAS-HOTGVXAUSA-N 2 1 298.471 2.140 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCCCO1 ZINC000655747637 415434026 /nfs/dbraw/zinc/43/40/26/415434026.db2.gz IHSPGWAOUHURLY-USXIJHARSA-N 2 1 296.455 2.177 20 0 CEADMP CC[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772986 415452613 /nfs/dbraw/zinc/45/26/13/415452613.db2.gz UOQVDFACWSRDSM-YCPHGPKFSA-N 2 1 266.429 2.266 20 0 CEADMP FC1CCC(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655779107 415459592 /nfs/dbraw/zinc/45/95/92/415459592.db2.gz CGJCKWUTHIOHOW-ZBCRRDGASA-N 2 1 284.419 2.358 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000664718231 415459982 /nfs/dbraw/zinc/45/99/82/415459982.db2.gz AMGGJAQNGCGDHA-ZDUSSCGKSA-N 2 1 285.476 2.247 20 0 CEADMP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CC[C@H]2CCC[N@H+]2C)cn1 ZINC000661776711 415460423 /nfs/dbraw/zinc/46/04/23/415460423.db2.gz BKNWVNNITHDSLM-BRWVUGGUSA-N 2 1 290.455 2.205 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCc1noc2ccccc21 ZINC000655937570 415557062 /nfs/dbraw/zinc/55/70/62/415557062.db2.gz AKZITINTHIKDAS-NWDGAFQWSA-N 2 1 259.353 2.039 20 0 CEADMP O=C1C[N@H+](CCCC2CC[NH2+]CC2)Cc2ccccc2N1 ZINC000655947586 415558158 /nfs/dbraw/zinc/55/81/58/415558158.db2.gz SUJSWJXNEOPKRV-UHFFFAOYSA-N 2 1 287.407 2.221 20 0 CEADMP O=C1C[N@@H+](CCCC2CC[NH2+]CC2)Cc2ccccc2N1 ZINC000655947586 415558162 /nfs/dbraw/zinc/55/81/62/415558162.db2.gz SUJSWJXNEOPKRV-UHFFFAOYSA-N 2 1 287.407 2.221 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000655945942 415558927 /nfs/dbraw/zinc/55/89/27/415558927.db2.gz IERMPBXOHCSLIS-HIFRSBDPSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000665251093 415650946 /nfs/dbraw/zinc/65/09/46/415650946.db2.gz HEKNACLTSCUGHS-BZZMCLGOSA-N 2 1 287.451 2.204 20 0 CEADMP C[C@H]([NH2+]CCc1noc2ccccc12)[C@H]1CCCC[NH2+]1 ZINC000665231978 415633876 /nfs/dbraw/zinc/63/38/76/415633876.db2.gz CJUXLQLJVBNPGC-GXTWGEPZSA-N 2 1 273.380 2.491 20 0 CEADMP C[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)C1C[NH2+]C1 ZINC000665237636 415638912 /nfs/dbraw/zinc/63/89/12/415638912.db2.gz GEBCWJXSKZYZQC-CABZTGNLSA-N 2 1 280.334 2.074 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665236354 415640065 /nfs/dbraw/zinc/64/00/65/415640065.db2.gz LIDWLNWVPRDZEE-BHYGNILZSA-N 2 1 289.467 2.407 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665236884 415640106 /nfs/dbraw/zinc/64/01/06/415640106.db2.gz WAJQBJZQKLPCDI-ZFWWWQNUSA-N 2 1 290.455 2.372 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000665236884 415640112 /nfs/dbraw/zinc/64/01/12/415640112.db2.gz WAJQBJZQKLPCDI-ZFWWWQNUSA-N 2 1 290.455 2.372 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000665241230 415645481 /nfs/dbraw/zinc/64/54/81/415645481.db2.gz FVINMWLORLWHOE-CADBVGFASA-N 2 1 299.462 2.381 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc2c(c1)OCCO2 ZINC000665248885 415647289 /nfs/dbraw/zinc/64/72/89/415647289.db2.gz FFJXKAFLWLVTKC-LBPRGKRZSA-N 2 1 276.380 2.380 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251923 415651997 /nfs/dbraw/zinc/65/19/97/415651997.db2.gz BTSZZXKUJNWHOY-USXIJHARSA-N 3 1 275.440 2.239 20 0 CEADMP C[C@H](CCCCO)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251294 415652072 /nfs/dbraw/zinc/65/20/72/415652072.db2.gz MDPALXBDNRBZOP-DJIMGWMZSA-N 2 1 276.424 2.273 20 0 CEADMP CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1nccn1C ZINC000566245136 298957779 /nfs/dbraw/zinc/95/77/79/298957779.db2.gz DLUAYWOGEGCADL-CQSZACIVSA-N 2 1 258.369 2.120 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665266545 415657732 /nfs/dbraw/zinc/65/77/32/415657732.db2.gz DTPXMWBTZJOQFT-OFQRWUPVSA-N 2 1 265.445 2.110 20 0 CEADMP Cc1cc(C)cc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662153464 415658735 /nfs/dbraw/zinc/65/87/35/415658735.db2.gz BRWWRIONUWATQR-GOSISDBHSA-N 2 1 288.435 2.334 20 0 CEADMP Cc1cc(C)cc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662153464 415658739 /nfs/dbraw/zinc/65/87/39/415658739.db2.gz BRWWRIONUWATQR-GOSISDBHSA-N 2 1 288.435 2.334 20 0 CEADMP CC[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)[C@@H]1CCC[NH2+]1 ZINC000665271866 415663497 /nfs/dbraw/zinc/66/34/97/415663497.db2.gz UAYOKKMBSANJQO-OAGGEKHMSA-N 2 1 259.397 2.376 20 0 CEADMP CC(C)CO[C@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1(C)C ZINC000665279186 415669310 /nfs/dbraw/zinc/66/93/10/415669310.db2.gz YUASNFRRQHBIJS-IQXANGCESA-N 2 1 266.429 2.168 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH2+]C)C12CCCCC2 ZINC000665295847 415683291 /nfs/dbraw/zinc/68/32/91/415683291.db2.gz KKQGGPDDGGUDQC-HZSPNIEDSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000665299098 415686488 /nfs/dbraw/zinc/68/64/88/415686488.db2.gz GFVKEORWVPBLDU-OIISXLGYSA-N 3 1 279.472 2.229 20 0 CEADMP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1CCCCN1 ZINC000665299427 415687024 /nfs/dbraw/zinc/68/70/24/415687024.db2.gz MSQLUPGXVJSYBF-RHSMWYFYSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662250832 415717248 /nfs/dbraw/zinc/71/72/48/415717248.db2.gz OZDAUQMVCPVIGY-RDBSUJKOSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256580 415722969 /nfs/dbraw/zinc/72/29/69/415722969.db2.gz WADYVCCNVZSTML-WBVHZDCISA-N 2 1 288.435 2.379 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccccc1 ZINC000662258476 415724514 /nfs/dbraw/zinc/72/45/14/415724514.db2.gz VBAGLGDBTRUHKB-HOCLYGCPSA-N 2 1 274.408 2.243 20 0 CEADMP C[NH2+][C@@H](C)c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468642 415725998 /nfs/dbraw/zinc/72/59/98/415725998.db2.gz PZVVIPWXKOKDQY-GOEBONIOSA-N 2 1 299.422 2.081 20 0 CEADMP CCOC[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662257103 415726351 /nfs/dbraw/zinc/72/63/51/415726351.db2.gz AITDCSXYHWUMPU-AWEZNQCLSA-N 2 1 274.408 2.191 20 0 CEADMP COc1cccc(SCC[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000662263497 415729915 /nfs/dbraw/zinc/72/99/15/415729915.db2.gz BVJAAZOMTMUPPR-OLZOCXBDSA-N 2 1 280.437 2.456 20 0 CEADMP CO[C@H](C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+])C1CCCC1 ZINC000662243950 415706652 /nfs/dbraw/zinc/70/66/52/415706652.db2.gz DPLBGXQDKPOTMF-NWANDNLSSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+])C1CCCC1 ZINC000662243950 415706657 /nfs/dbraw/zinc/70/66/57/415706657.db2.gz DPLBGXQDKPOTMF-NWANDNLSSA-N 2 1 254.418 2.251 20 0 CEADMP C[N@@H+](CCCc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250434 415709236 /nfs/dbraw/zinc/70/92/36/415709236.db2.gz HWAJOXCKWAOCAL-INIZCTEOSA-N 2 1 274.408 2.072 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@@H]2CCCCC2(C)C)CCO1 ZINC000662248091 415711151 /nfs/dbraw/zinc/71/11/51/415711151.db2.gz SRWLMLPQYUQLIP-MELADBBJSA-N 2 1 254.418 2.251 20 0 CEADMP Fc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662250881 415716003 /nfs/dbraw/zinc/71/60/03/415716003.db2.gz QTISBYPQIARFQF-JKSUJKDBSA-N 2 1 290.382 2.484 20 0 CEADMP CC[C@@H](CC(F)F)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000662274846 415742115 /nfs/dbraw/zinc/74/21/15/415742115.db2.gz XPFRNNGZDFHEQM-STQMWFEESA-N 2 1 290.398 2.355 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCc2ccccc21 ZINC000662282933 415748578 /nfs/dbraw/zinc/74/85/78/415748578.db2.gz DSUQUDVZMVYEAT-GDBMZVCRSA-N 2 1 286.419 2.169 20 0 CEADMP C[N@@H+](CCc1nccs1)Cc1cccc2c1CC[NH2+]C2 ZINC000662281714 415748770 /nfs/dbraw/zinc/74/87/70/415748770.db2.gz ZOXSFXHWROHAHU-UHFFFAOYSA-N 2 1 287.432 2.463 20 0 CEADMP CC[C@@H](CC(F)F)C[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000659896283 415765756 /nfs/dbraw/zinc/76/57/56/415765756.db2.gz KTTCSDQYVXFBGP-LBPRGKRZSA-N 2 1 278.387 2.056 20 0 CEADMP COc1ccc([C@H]2CCC[N@@H+]2CCC[NH3+])cc1F ZINC000662305900 415767007 /nfs/dbraw/zinc/76/70/07/415767007.db2.gz OABRBHYWBQQEDL-CYBMUJFWSA-N 2 1 252.333 2.320 20 0 CEADMP COc1ccc([C@H]2CCC[N@H+]2CCC[NH3+])cc1F ZINC000662305900 415767011 /nfs/dbraw/zinc/76/70/11/415767011.db2.gz OABRBHYWBQQEDL-CYBMUJFWSA-N 2 1 252.333 2.320 20 0 CEADMP CCc1nocc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000662285258 415751953 /nfs/dbraw/zinc/75/19/53/415751953.db2.gz IIURSAGZGDYDSI-RISCZKNCSA-N 2 1 251.374 2.186 20 0 CEADMP Fc1ccc(C2([NH2+]C[C@@H]3CNCCO3)CCCC2)c(F)c1 ZINC000662283589 415753859 /nfs/dbraw/zinc/75/38/59/415753859.db2.gz VELZFWVYIROBQN-ZDUSSCGKSA-N 2 1 296.361 2.312 20 0 CEADMP CCc1nocc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292382 415755623 /nfs/dbraw/zinc/75/56/23/415755623.db2.gz FEAHRIUKQWQGLU-CQSZACIVSA-N 2 1 277.412 2.449 20 0 CEADMP FC(F)(F)C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000662325699 415780287 /nfs/dbraw/zinc/78/02/87/415780287.db2.gz IGMDDCSLPSFKGR-VXGBXAGGSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000662325699 415780291 /nfs/dbraw/zinc/78/02/91/415780291.db2.gz IGMDDCSLPSFKGR-VXGBXAGGSA-N 2 1 280.334 2.029 20 0 CEADMP CO[C@@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CCCC1 ZINC000662325408 415781027 /nfs/dbraw/zinc/78/10/27/415781027.db2.gz FXXNQPSAHYETIO-IRXDYDNUSA-N 2 1 298.471 2.234 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000662324665 415781350 /nfs/dbraw/zinc/78/13/50/415781350.db2.gz AGLZOXDZTRBVLG-ZDUSSCGKSA-N 2 1 268.426 2.291 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000662324665 415781354 /nfs/dbraw/zinc/78/13/54/415781354.db2.gz AGLZOXDZTRBVLG-ZDUSSCGKSA-N 2 1 268.426 2.291 20 0 CEADMP C[N@@H+](CC1=CCSC1)Cc1cccc2c1CC[NH2+]C2 ZINC000662326693 415784065 /nfs/dbraw/zinc/78/40/65/415784065.db2.gz AIUUPWQBNVZZSE-UHFFFAOYSA-N 2 1 274.433 2.437 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC3CC2(C)C3)cc1 ZINC000662338434 415787678 /nfs/dbraw/zinc/78/76/78/415787678.db2.gz RFUDLNDULXGWGG-CXOJTPOUSA-N 2 1 260.381 2.222 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H](OC)C2CCC2)CC1 ZINC000659982993 415826268 /nfs/dbraw/zinc/82/62/68/415826268.db2.gz BDVRLGVIXBGZKA-OAHLLOKOSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](OC)C2CCC2)CC1 ZINC000659982993 415826273 /nfs/dbraw/zinc/82/62/73/415826273.db2.gz BDVRLGVIXBGZKA-OAHLLOKOSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1CC(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)C[C@H](C)C1 ZINC000656707297 415827364 /nfs/dbraw/zinc/82/73/64/415827364.db2.gz XBXSPVPINLVAQG-IOASZLSFSA-N 2 1 268.445 2.103 20 0 CEADMP C[C@H]1CC(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C[C@H](C)C1 ZINC000656707297 415827368 /nfs/dbraw/zinc/82/73/68/415827368.db2.gz XBXSPVPINLVAQG-IOASZLSFSA-N 2 1 268.445 2.103 20 0 CEADMP Cc1ccc2ncc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000662517855 415872513 /nfs/dbraw/zinc/87/25/13/415872513.db2.gz QLGXEJNTPNBWGB-HOTGVXAUSA-N 2 1 267.376 2.194 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@H]1[NH2+]CCC1(C)C)C1CCCCC1 ZINC000662680938 415929682 /nfs/dbraw/zinc/92/96/82/415929682.db2.gz PBGDCUMTNLJPSV-OAHLLOKOSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C)C2(CCC2)C1 ZINC000660167796 415912434 /nfs/dbraw/zinc/91/24/34/415912434.db2.gz OHCMXNIGLGKSFN-LSDHHAIUSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000660167796 415912438 /nfs/dbraw/zinc/91/24/38/415912438.db2.gz OHCMXNIGLGKSFN-LSDHHAIUSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000660167796 415912442 /nfs/dbraw/zinc/91/24/42/415912442.db2.gz OHCMXNIGLGKSFN-LSDHHAIUSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)C[C@H](N)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656781935 415857872 /nfs/dbraw/zinc/85/78/72/415857872.db2.gz AFQYXKIQOZCSCE-CVEARBPZSA-N 2 1 267.461 2.071 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656781935 415857875 /nfs/dbraw/zinc/85/78/75/415857875.db2.gz AFQYXKIQOZCSCE-CVEARBPZSA-N 2 1 267.461 2.071 20 0 CEADMP C(C1CCOCC1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785550 415859372 /nfs/dbraw/zinc/85/93/72/415859372.db2.gz LWIYFDBXJFFYBC-INIZCTEOSA-N 2 1 266.429 2.125 20 0 CEADMP CCN(CC)c1ncc(C[NH2+]CC2([NH3+])CCCC2)s1 ZINC000656788480 415861490 /nfs/dbraw/zinc/86/14/90/415861490.db2.gz RAPXYCAYFQVXQY-UHFFFAOYSA-N 2 1 282.457 2.350 20 0 CEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000656791507 415864842 /nfs/dbraw/zinc/86/48/42/415864842.db2.gz IDTOSUJDQNLDIJ-HRCADAONSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000662745231 415950935 /nfs/dbraw/zinc/95/09/35/415950935.db2.gz KKFWOUGEZSMUQA-JKSUJKDBSA-N 2 1 297.487 2.330 20 0 CEADMP Cc1cccn2c(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)cnc12 ZINC000334840946 225331321 /nfs/dbraw/zinc/33/13/21/225331321.db2.gz DKOFLJAEYJWUKZ-CQSZACIVSA-N 2 1 272.396 2.120 20 0 CEADMP C[C@@H](CN1CCC([N@@H+]2CCOC[C@@H]2C)CC1)C(F)(F)F ZINC000567403147 299060952 /nfs/dbraw/zinc/06/09/52/299060952.db2.gz IKJXHHYPNVUICL-RYUDHWBXSA-N 2 1 294.361 2.370 20 0 CEADMP C[C@@H](CN1CCC([N@H+]2CCOC[C@@H]2C)CC1)C(F)(F)F ZINC000567403147 299060956 /nfs/dbraw/zinc/06/09/56/299060956.db2.gz IKJXHHYPNVUICL-RYUDHWBXSA-N 2 1 294.361 2.370 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CC23CC3)s1 ZINC000418106097 228055414 /nfs/dbraw/zinc/05/54/14/228055414.db2.gz YWWVFYUGJAUCSS-SNVBAGLBSA-N 2 1 251.399 2.094 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H](C)[C@H]1C ZINC000310783557 419476934 /nfs/dbraw/zinc/47/69/34/419476934.db2.gz FZNMHRFGFHIGKS-TUVASFSCSA-N 2 1 256.434 2.102 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cnc3ccccn23)CCCCC1 ZINC000666802222 419434330 /nfs/dbraw/zinc/43/43/30/419434330.db2.gz HVRFGRRAWLFBBI-UHFFFAOYSA-N 2 1 258.369 2.086 20 0 CEADMP CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nc1 ZINC000666968905 419497828 /nfs/dbraw/zinc/49/78/28/419497828.db2.gz AZYJNGWGZWRDEQ-PBHICJAKSA-N 2 1 289.423 2.444 20 0 CEADMP CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nc1 ZINC000666968905 419497833 /nfs/dbraw/zinc/49/78/33/419497833.db2.gz AZYJNGWGZWRDEQ-PBHICJAKSA-N 2 1 289.423 2.444 20 0 CEADMP CC(C)[N@H+]1CCCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667470687 419686253 /nfs/dbraw/zinc/68/62/53/419686253.db2.gz GVPGBBWXKXLFCS-UHFFFAOYSA-N 2 1 299.422 2.183 20 0 CEADMP C[C@H]1C[C@H](C)[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667665041 419767089 /nfs/dbraw/zinc/76/70/89/419767089.db2.gz XBQPIIORBOFUMS-STQMWFEESA-N 2 1 256.353 2.498 20 0 CEADMP C[C@H]1C[C@H](C)[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667665041 419767099 /nfs/dbraw/zinc/76/70/99/419767099.db2.gz XBQPIIORBOFUMS-STQMWFEESA-N 2 1 256.353 2.498 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000517556775 260191828 /nfs/dbraw/zinc/19/18/28/260191828.db2.gz ORUHIIHJXWRBSD-YDHLFZDLSA-N 2 1 282.453 2.492 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000517556775 260191829 /nfs/dbraw/zinc/19/18/29/260191829.db2.gz ORUHIIHJXWRBSD-YDHLFZDLSA-N 2 1 282.453 2.492 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CSC[C@H]2C)C1 ZINC000449131805 260237194 /nfs/dbraw/zinc/23/71/94/260237194.db2.gz PSFJITCCGYYJHN-MCIONIFRSA-N 2 1 256.459 2.448 20 0 CEADMP COc1ccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000517937040 260321098 /nfs/dbraw/zinc/32/10/98/260321098.db2.gz JVUZQAWLSJFLLT-QGZVFWFLSA-N 2 1 290.407 2.150 20 0 CEADMP CO[C@@H]1C[C@@H]([N@H+](C)CCCc2c[nH+]cn2C)C12CCC2 ZINC000521062983 260340953 /nfs/dbraw/zinc/34/09/53/260340953.db2.gz FRQZWQQOMSEJCF-HUUCEWRRSA-N 2 1 277.412 2.242 20 0 CEADMP CO[C@@H]1C[C@@H]([N@@H+](C)CCCc2c[nH+]cn2C)C12CCC2 ZINC000521062983 260340955 /nfs/dbraw/zinc/34/09/55/260340955.db2.gz FRQZWQQOMSEJCF-HUUCEWRRSA-N 2 1 277.412 2.242 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428036140 261198095 /nfs/dbraw/zinc/19/80/95/261198095.db2.gz WOAWARDYFKWIKM-WMLDXEAASA-N 2 1 290.407 2.148 20 0 CEADMP COc1nccnc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000449081345 261262725 /nfs/dbraw/zinc/26/27/25/261262725.db2.gz DNDVQMJCIQGGDG-CQSZACIVSA-N 2 1 292.427 2.229 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](CCC[NH3+])CC2CCCC2)CC[NH2+]1 ZINC000414774336 263043280 /nfs/dbraw/zinc/04/32/80/263043280.db2.gz BFPHVOXGSLYUBF-ZBFHGGJFSA-N 3 1 267.461 2.216 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](CCC[NH3+])CC2CCCC2)CC[NH2+]1 ZINC000414774334 263043348 /nfs/dbraw/zinc/04/33/48/263043348.db2.gz BFPHVOXGSLYUBF-HOCLYGCPSA-N 3 1 267.461 2.216 20 0 CEADMP [NH3+]C[C@H]([NH2+]C/C=C\c1ccc(F)cc1F)C1CC1 ZINC000414791569 263048907 /nfs/dbraw/zinc/04/89/07/263048907.db2.gz BNPNHIJUDRUXBZ-BOPNBLERSA-N 2 1 252.308 2.305 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCC2CCCCC2)C1 ZINC000430551517 263263726 /nfs/dbraw/zinc/26/37/26/263263726.db2.gz IKCMLNZSWFEZLA-OFQRWUPVSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCC2CCCCC2)C1 ZINC000430551517 263263728 /nfs/dbraw/zinc/26/37/28/263263728.db2.gz IKCMLNZSWFEZLA-OFQRWUPVSA-N 2 1 295.471 2.131 20 0 CEADMP Cn1ccnc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425351208 264026544 /nfs/dbraw/zinc/02/65/44/264026544.db2.gz MUTQGNVZICEVLZ-DLBZAZTESA-N 2 1 296.418 2.126 20 0 CEADMP CO[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000425402303 264281923 /nfs/dbraw/zinc/28/19/23/264281923.db2.gz GHZMIUUQAMUUKM-INIZCTEOSA-N 2 1 266.429 2.362 20 0 CEADMP CO[C@@H](C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)C1CC1 ZINC000425424304 264313436 /nfs/dbraw/zinc/31/34/36/264313436.db2.gz WSAQKPUQRDRCEQ-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H](C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000425424304 264313437 /nfs/dbraw/zinc/31/34/37/264313437.db2.gz WSAQKPUQRDRCEQ-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H](C[NH+](C)CC[C@H]1CCCC[N@H+]1C)C1CC1 ZINC000425424304 264313440 /nfs/dbraw/zinc/31/34/40/264313440.db2.gz WSAQKPUQRDRCEQ-CABCVRRESA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cncc(F)c2)C[C@@H]1C[NH3+] ZINC000397334993 270353010 /nfs/dbraw/zinc/35/30/10/270353010.db2.gz XYBHQKJHNLGPPA-MDZLAQPJSA-N 2 1 251.349 2.026 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cncc(F)c2)C[C@@H]1C[NH3+] ZINC000397334993 270353012 /nfs/dbraw/zinc/35/30/12/270353012.db2.gz XYBHQKJHNLGPPA-MDZLAQPJSA-N 2 1 251.349 2.026 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CCO)c1ccco1 ZINC000185130481 270245251 /nfs/dbraw/zinc/24/52/51/270245251.db2.gz ATEUXOFSOXIESR-CQSZACIVSA-N 2 1 277.368 2.278 20 0 CEADMP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCCCC1 ZINC000227799268 270312071 /nfs/dbraw/zinc/31/20/71/270312071.db2.gz FRCVFJQZMFKGBP-IRXDYDNUSA-N 2 1 276.424 2.182 20 0 CEADMP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCCCC1 ZINC000227799268 270312072 /nfs/dbraw/zinc/31/20/72/270312072.db2.gz FRCVFJQZMFKGBP-IRXDYDNUSA-N 2 1 276.424 2.182 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(C)(C)C[NH3+] ZINC000236654035 270315839 /nfs/dbraw/zinc/31/58/39/270315839.db2.gz HIXBRPOAPSKATC-UHFFFAOYSA-N 2 1 291.439 2.128 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000311906485 270333367 /nfs/dbraw/zinc/33/33/67/270333367.db2.gz BHZSTTQMOJOGPY-UHFFFAOYSA-N 2 1 254.337 2.463 20 0 CEADMP Cc1ncsc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397257289 270352315 /nfs/dbraw/zinc/35/23/15/270352315.db2.gz FWEIRQMUZUBSDT-FOGDFJRCSA-N 2 1 253.415 2.257 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCCOCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000397403215 270353947 /nfs/dbraw/zinc/35/39/47/270353947.db2.gz KSWDVIWCCNHECZ-WOPDTQHZSA-N 2 1 282.350 2.261 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000423300682 270891688 /nfs/dbraw/zinc/89/16/88/270891688.db2.gz DWAMMLKMMJBVMI-WBMJQRKESA-N 2 1 273.355 2.495 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc21 ZINC000423490535 270917368 /nfs/dbraw/zinc/91/73/68/270917368.db2.gz HXPPCRQXFUJSLV-DVOMOZLQSA-N 2 1 260.381 2.203 20 0 CEADMP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423523339 270921184 /nfs/dbraw/zinc/92/11/84/270921184.db2.gz RXXVCFAWKKFQKV-OCCSQVGLSA-N 2 1 280.437 2.438 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)C1 ZINC000424258223 271035716 /nfs/dbraw/zinc/03/57/16/271035716.db2.gz BWAOXTOZJBUBLP-LJIZCISZSA-N 2 1 266.429 2.121 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C[C@H]2C1 ZINC000424270809 271036827 /nfs/dbraw/zinc/03/68/27/271036827.db2.gz QZPWLKPZTULZLR-FHULIHMCSA-N 2 1 278.440 2.406 20 0 CEADMP CC[NH2+]CC1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424268636 271037749 /nfs/dbraw/zinc/03/77/49/271037749.db2.gz LJZQRGSWUJSVKQ-MRXNPFEDSA-N 2 1 293.430 2.190 20 0 CEADMP CC[NH2+]CC1CC[NH+](C[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000424268636 271037752 /nfs/dbraw/zinc/03/77/52/271037752.db2.gz LJZQRGSWUJSVKQ-MRXNPFEDSA-N 2 1 293.430 2.190 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](C1CCC1)C1CCCCC1 ZINC000424325564 271045696 /nfs/dbraw/zinc/04/56/96/271045696.db2.gz XOZXSERJMVWHIB-JKSUJKDBSA-N 2 1 268.445 2.248 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424372435 271050927 /nfs/dbraw/zinc/05/09/27/271050927.db2.gz FRCZWKPKPHXZAC-AWEZNQCLSA-N 2 1 289.423 2.363 20 0 CEADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000426333595 271212040 /nfs/dbraw/zinc/21/20/40/271212040.db2.gz UTISWRVCQIESDW-MGPQQGTHSA-N 2 1 254.418 2.121 20 0 CEADMP CCC[NH+](CCC)CCCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000426478936 271222443 /nfs/dbraw/zinc/22/24/43/271222443.db2.gz GMAANEYCMOHGHY-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP COc1ccc(OCCC[NH2+][C@@](C)(C[NH3+])C(C)C)cc1 ZINC000430560475 271390612 /nfs/dbraw/zinc/39/06/12/271390612.db2.gz WLSYDXIRROCEAL-INIZCTEOSA-N 2 1 280.412 2.427 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000430577471 271393833 /nfs/dbraw/zinc/39/38/33/271393833.db2.gz NSRRRQGKHZMRIS-GJZGRUSLSA-N 2 1 285.476 2.326 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000430577471 271393837 /nfs/dbraw/zinc/39/38/37/271393837.db2.gz NSRRRQGKHZMRIS-GJZGRUSLSA-N 2 1 285.476 2.326 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000430591127 271396215 /nfs/dbraw/zinc/39/62/15/271396215.db2.gz NBJDWPZVJZDENK-UHFFFAOYSA-N 2 1 263.385 2.062 20 0 CEADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335166856 274101517 /nfs/dbraw/zinc/10/15/17/274101517.db2.gz CJNPXIBBYYITDC-CQSZACIVSA-N 2 1 264.344 2.163 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000414909650 274308437 /nfs/dbraw/zinc/30/84/37/274308437.db2.gz CBRIWYWMMIJPKG-WKPIXPDZSA-N 2 1 264.800 2.395 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000252715470 274335479 /nfs/dbraw/zinc/33/54/79/274335479.db2.gz VRQBZGUZLOXXIE-SNPRPXQTSA-N 2 1 260.381 2.440 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000252715470 274335481 /nfs/dbraw/zinc/33/54/81/274335481.db2.gz VRQBZGUZLOXXIE-SNPRPXQTSA-N 2 1 260.381 2.440 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009634 274340343 /nfs/dbraw/zinc/34/03/43/274340343.db2.gz FTZSDNCEGOWZGK-LUYZLQTOSA-N 2 1 274.408 2.308 20 0 CEADMP c1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000335031748 275069525 /nfs/dbraw/zinc/06/95/25/275069525.db2.gz SLRTVXDEBABGBF-DOTOQJQBSA-N 2 1 274.408 2.422 20 0 CEADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000344662153 276103757 /nfs/dbraw/zinc/10/37/57/276103757.db2.gz FNMAPZGIEKUIJF-ZBFHGGJFSA-N 2 1 291.439 2.136 20 0 CEADMP CC1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000252513478 276191200 /nfs/dbraw/zinc/19/12/00/276191200.db2.gz SSBDXWUQCBNUGA-PFSRBDOWSA-N 2 1 252.402 2.018 20 0 CEADMP CC1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000252513478 276191201 /nfs/dbraw/zinc/19/12/01/276191201.db2.gz SSBDXWUQCBNUGA-PFSRBDOWSA-N 2 1 252.402 2.018 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000365054210 276324121 /nfs/dbraw/zinc/32/41/21/276324121.db2.gz LNJBNJKWKNSVSC-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000365054211 276324214 /nfs/dbraw/zinc/32/42/14/276324214.db2.gz LNJBNJKWKNSVSC-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP CCN(CC)C(=O)C[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000360957118 276334049 /nfs/dbraw/zinc/33/40/49/276334049.db2.gz OGEWACKJMQQROV-CVEARBPZSA-N 2 1 297.487 2.345 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131461399 276383449 /nfs/dbraw/zinc/38/34/49/276383449.db2.gz WRXQYYYANPMELX-UONOGXRCSA-N 2 1 278.396 2.133 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC000113504170 276387404 /nfs/dbraw/zinc/38/74/04/276387404.db2.gz LGKWVUWJGBAEGO-HNNXBMFYSA-N 2 1 267.461 2.134 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]C[C@@H]2CCOc3ccccc32)CC1 ZINC000378450707 277023226 /nfs/dbraw/zinc/02/32/26/277023226.db2.gz COLXMVAZYBBUKP-HNNXBMFYSA-N 2 1 272.392 2.404 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](C)c1ccc(OC)cc1 ZINC000346683551 277028523 /nfs/dbraw/zinc/02/85/23/277028523.db2.gz PABYESGQMQTLBJ-HIFRSBDPSA-N 2 1 262.397 2.483 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](C)c1ccc(OC)cc1 ZINC000346683551 277028524 /nfs/dbraw/zinc/02/85/24/277028524.db2.gz PABYESGQMQTLBJ-HIFRSBDPSA-N 2 1 262.397 2.483 20 0 CEADMP COC1(CC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CCC1 ZINC000339005444 277182883 /nfs/dbraw/zinc/18/28/83/277182883.db2.gz OHONFDBPZNBNIU-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP COC1(CC[NH+](C)C[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000339005444 277182885 /nfs/dbraw/zinc/18/28/85/277182885.db2.gz OHONFDBPZNBNIU-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP COC1(CC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000339005444 277182886 /nfs/dbraw/zinc/18/28/86/277182886.db2.gz OHONFDBPZNBNIU-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP COC1CCC([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414698376 277192981 /nfs/dbraw/zinc/19/29/81/277192981.db2.gz QRDHTWMZXMJNCO-ZUJMUWTESA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)(C)OCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363414435 277214867 /nfs/dbraw/zinc/21/48/67/277214867.db2.gz NGUCVWHTTVWCOA-ILXRZTDVSA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)(C)OCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363414435 277214868 /nfs/dbraw/zinc/21/48/68/277214868.db2.gz NGUCVWHTTVWCOA-ILXRZTDVSA-N 2 1 266.429 2.218 20 0 CEADMP CC(C)(C)OCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363414435 277214869 /nfs/dbraw/zinc/21/48/69/277214869.db2.gz NGUCVWHTTVWCOA-ILXRZTDVSA-N 2 1 266.429 2.218 20 0 CEADMP COCC[N@@H+](CCc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346848779 277217265 /nfs/dbraw/zinc/21/72/65/277217265.db2.gz RBSHEZJIALLCHH-QGZVFWFLSA-N 2 1 276.424 2.177 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000337466854 277237738 /nfs/dbraw/zinc/23/77/38/277237738.db2.gz MEKOXDUKRQVSBP-IXDOHACOSA-N 2 1 298.471 2.282 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000337466854 277237739 /nfs/dbraw/zinc/23/77/39/277237739.db2.gz MEKOXDUKRQVSBP-IXDOHACOSA-N 2 1 298.471 2.282 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1cn(C)nc1-c1cccs1 ZINC000415137387 277267420 /nfs/dbraw/zinc/26/74/20/277267420.db2.gz TVCOXHPQSMONMA-UHFFFAOYSA-N 2 1 278.425 2.190 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1cn(C)nc1-c1cccs1 ZINC000415137387 277267422 /nfs/dbraw/zinc/26/74/22/277267422.db2.gz TVCOXHPQSMONMA-UHFFFAOYSA-N 2 1 278.425 2.190 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C12CCC2 ZINC000308367778 277312422 /nfs/dbraw/zinc/31/24/22/277312422.db2.gz MJWDKAHPOANBMT-XDQVBPFNSA-N 2 1 252.402 2.016 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C12CCC2 ZINC000308367778 277312423 /nfs/dbraw/zinc/31/24/23/277312423.db2.gz MJWDKAHPOANBMT-XDQVBPFNSA-N 2 1 252.402 2.016 20 0 CEADMP CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000268751713 277326020 /nfs/dbraw/zinc/32/60/20/277326020.db2.gz VNYQCPQMUIYGFE-LSDHHAIUSA-N 2 1 292.423 2.032 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000358344702 277396885 /nfs/dbraw/zinc/39/68/85/277396885.db2.gz XMCOISYBKYGOBJ-GVDBMIGSSA-N 2 1 281.488 2.284 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000358344702 277396886 /nfs/dbraw/zinc/39/68/86/277396886.db2.gz XMCOISYBKYGOBJ-GVDBMIGSSA-N 2 1 281.488 2.284 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000358344702 277396887 /nfs/dbraw/zinc/39/68/87/277396887.db2.gz XMCOISYBKYGOBJ-GVDBMIGSSA-N 2 1 281.488 2.284 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000358344702 277396888 /nfs/dbraw/zinc/39/68/88/277396888.db2.gz XMCOISYBKYGOBJ-GVDBMIGSSA-N 3 1 281.488 2.284 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000358344702 277396890 /nfs/dbraw/zinc/39/68/90/277396890.db2.gz XMCOISYBKYGOBJ-GVDBMIGSSA-N 3 1 281.488 2.284 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000358344702 277396891 /nfs/dbraw/zinc/39/68/91/277396891.db2.gz XMCOISYBKYGOBJ-GVDBMIGSSA-N 3 1 281.488 2.284 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000358344702 277396892 /nfs/dbraw/zinc/39/68/92/277396892.db2.gz XMCOISYBKYGOBJ-GVDBMIGSSA-N 3 1 281.488 2.284 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000358344702 277396893 /nfs/dbraw/zinc/39/68/93/277396893.db2.gz XMCOISYBKYGOBJ-GVDBMIGSSA-N 2 1 281.488 2.284 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000358344702 277396894 /nfs/dbraw/zinc/39/68/94/277396894.db2.gz XMCOISYBKYGOBJ-GVDBMIGSSA-N 2 1 281.488 2.284 20 0 CEADMP COC1(C[C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000372990552 277470954 /nfs/dbraw/zinc/47/09/54/277470954.db2.gz OVQZRHZXLNSVLB-OLZOCXBDSA-N 2 1 263.385 2.135 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H](C)C[C@H]2C[NH3+])c1C ZINC000261646444 277784009 /nfs/dbraw/zinc/78/40/09/277784009.db2.gz NXBIRVCJNOKOEN-RISCZKNCSA-N 2 1 277.412 2.266 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CCO1 ZINC000352693467 278010065 /nfs/dbraw/zinc/01/00/65/278010065.db2.gz LPHTWPVNJBLIPC-KFWWJZLASA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[C@H](C[NH+](C)C[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000352693467 278010066 /nfs/dbraw/zinc/01/00/66/278010066.db2.gz LPHTWPVNJBLIPC-KFWWJZLASA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[C@H](C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000352693467 278010068 /nfs/dbraw/zinc/01/00/68/278010068.db2.gz LPHTWPVNJBLIPC-KFWWJZLASA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)CC[NH2+]1 ZINC000333225468 278011846 /nfs/dbraw/zinc/01/18/46/278011846.db2.gz XHMUNSKPEJMLDS-RGDJUOJXSA-N 2 1 265.401 2.010 20 0 CEADMP CSCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000370620144 278129315 /nfs/dbraw/zinc/12/93/15/278129315.db2.gz LJPILGFZQPWFBZ-RBSFLKMASA-N 2 1 286.485 2.219 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347100549 278226068 /nfs/dbraw/zinc/22/60/68/278226068.db2.gz LIEBBWWUBWJWNV-IMJJTQAJSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347100549 278226070 /nfs/dbraw/zinc/22/60/70/278226070.db2.gz LIEBBWWUBWJWNV-IMJJTQAJSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414797770 278236995 /nfs/dbraw/zinc/23/69/95/278236995.db2.gz BNLHOPVZWDGBLC-ZBEGNZNMSA-N 2 1 272.396 2.211 20 0 CEADMP C[C@@H](C[C@@H]1CCCO1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000359673405 278294513 /nfs/dbraw/zinc/29/45/13/278294513.db2.gz ITAVOTNFODGMTF-WFASDCNBSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]1CCC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000174354516 278352983 /nfs/dbraw/zinc/35/29/83/278352983.db2.gz CGYXELVYRSKEPH-HOTGVXAUSA-N 2 1 267.461 2.182 20 0 CEADMP Cc1n[nH]cc1C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000375395553 279060663 /nfs/dbraw/zinc/06/06/63/279060663.db2.gz XNIUTQINHPBICT-OAHLLOKOSA-N 2 1 276.428 2.382 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000248918035 288105172 /nfs/dbraw/zinc/10/51/72/288105172.db2.gz WGWJLPJVGAUPTC-DMVVEVTLSA-N 2 1 266.429 2.262 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000045691969 279132589 /nfs/dbraw/zinc/13/25/89/279132589.db2.gz MAQNJLGOAZSEIN-HNNXBMFYSA-N 3 1 290.455 2.370 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000121651750 279256863 /nfs/dbraw/zinc/25/68/63/279256863.db2.gz CFUTYXYGMZVVAQ-GDBMZVCRSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000121651750 279256865 /nfs/dbraw/zinc/25/68/65/279256865.db2.gz CFUTYXYGMZVVAQ-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCCC[C@@H]1C ZINC000104136545 279277892 /nfs/dbraw/zinc/27/78/92/279277892.db2.gz YWAPDPFIXKSRCC-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000104136545 279277893 /nfs/dbraw/zinc/27/78/93/279277893.db2.gz YWAPDPFIXKSRCC-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000104136545 279277896 /nfs/dbraw/zinc/27/78/96/279277896.db2.gz YWAPDPFIXKSRCC-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCc2nn(C)cc21)C[NH+]1CCCC1 ZINC000358931919 279349947 /nfs/dbraw/zinc/34/99/47/279349947.db2.gz JNECOIPVIFKGLD-UKRRQHHQSA-N 2 1 276.428 2.119 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)C(C)(C)C)CC1 ZINC000154525791 279356255 /nfs/dbraw/zinc/35/62/55/279356255.db2.gz UMUROJJBLNSSAX-OAHLLOKOSA-N 2 1 269.477 2.428 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)CC(C)C)C2)CC1 ZINC000355684817 279369276 /nfs/dbraw/zinc/36/92/76/279369276.db2.gz VIUKRRDKRLQHCZ-HZPDHXFCSA-N 2 1 267.461 2.133 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000355582417 288132065 /nfs/dbraw/zinc/13/20/65/288132065.db2.gz JXQNLSSPBZVOPJ-RKHAHWSXSA-N 2 1 277.456 2.076 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000133628879 280001815 /nfs/dbraw/zinc/00/18/15/280001815.db2.gz QKJSNRJYWNYSEA-QWHCGFSZSA-N 2 1 278.396 2.497 20 0 CEADMP C[N@H+](CC[NH2+]CCCNC(=O)OC(C)(C)C)C1CCCC1 ZINC000135303083 280042611 /nfs/dbraw/zinc/04/26/11/280042611.db2.gz ZEZHIIXIQAQPGK-UHFFFAOYSA-N 2 1 299.459 2.365 20 0 CEADMP C[N@@H+](CC[NH2+]CCCNC(=O)OC(C)(C)C)C1CCCC1 ZINC000135303083 280042614 /nfs/dbraw/zinc/04/26/14/280042614.db2.gz ZEZHIIXIQAQPGK-UHFFFAOYSA-N 2 1 299.459 2.365 20 0 CEADMP Cc1[nH+]ccn1CCCN(C)Cc1noc(C(C)C)n1 ZINC000136314279 280060428 /nfs/dbraw/zinc/06/04/28/280060428.db2.gz BNZSIQZQLACSQT-UHFFFAOYSA-N 2 1 277.372 2.220 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@H](C)Cn3cccn3)CC2)[nH+]c1 ZINC000137481324 280068526 /nfs/dbraw/zinc/06/85/26/280068526.db2.gz MTZNAGZTDYNRMK-OAHLLOKOSA-N 2 1 299.422 2.234 20 0 CEADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC[NH3+] ZINC000237342865 280230377 /nfs/dbraw/zinc/23/03/77/280230377.db2.gz SHGSOVITRQSEOI-CQSZACIVSA-N 2 1 289.423 2.026 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000237508722 280230856 /nfs/dbraw/zinc/23/08/56/280230856.db2.gz UYRXDPHUYGRGLP-XHSDSOJGSA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC2CC2)[C@@H](C)C1 ZINC000245415914 280238185 /nfs/dbraw/zinc/23/81/85/280238185.db2.gz DTLZURUWDGSZME-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC2CC2)[C@@H](C)C1 ZINC000245415914 280238187 /nfs/dbraw/zinc/23/81/87/280238187.db2.gz DTLZURUWDGSZME-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC2CC2)[C@@H](C)C1 ZINC000245415914 280238190 /nfs/dbraw/zinc/23/81/90/280238190.db2.gz DTLZURUWDGSZME-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1(C)C ZINC000245956939 280268465 /nfs/dbraw/zinc/26/84/65/280268465.db2.gz XLBJRTWJDLHLTH-ARFHVFGLSA-N 2 1 298.471 2.017 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000246870761 280312674 /nfs/dbraw/zinc/31/26/74/280312674.db2.gz DJTUZZAZNUOAOB-PMPSAXMXSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000246870761 280312675 /nfs/dbraw/zinc/31/26/75/280312675.db2.gz DJTUZZAZNUOAOB-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000246870761 280312676 /nfs/dbraw/zinc/31/26/76/280312676.db2.gz DJTUZZAZNUOAOB-PMPSAXMXSA-N 3 1 267.461 2.038 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000247082020 280320052 /nfs/dbraw/zinc/32/00/52/280320052.db2.gz QYHNSPFFFSMVNY-UMVBOHGHSA-N 2 1 276.428 2.042 20 0 CEADMP C[NH+](CCCCC[N@H+](C)C[C@H]1CCOC1)C[C@H]1CCOC1 ZINC000247111215 280320530 /nfs/dbraw/zinc/32/05/30/280320530.db2.gz RAZJSJYSNICWOE-IAGOWNOFSA-N 2 1 298.471 2.093 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)nc2)[C@@H](C)C1 ZINC000247981221 280341563 /nfs/dbraw/zinc/34/15/63/280341563.db2.gz IIKHIHNBJXFICO-XJKSGUPXSA-N 2 1 261.413 2.252 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000248422942 280346517 /nfs/dbraw/zinc/34/65/17/280346517.db2.gz YUYREMHZYILQOX-TUVASFSCSA-N 2 1 254.418 2.264 20 0 CEADMP CCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248553679 280352029 /nfs/dbraw/zinc/35/20/29/280352029.db2.gz HNGWWDUAGAUOHT-KKUMJFAQSA-N 2 1 295.471 2.144 20 0 CEADMP CCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248553679 280352030 /nfs/dbraw/zinc/35/20/30/280352030.db2.gz HNGWWDUAGAUOHT-KKUMJFAQSA-N 2 1 295.471 2.144 20 0 CEADMP Cn1c(NC2CCC([NH+](C)C)CC2)[nH+]c2cccc(F)c21 ZINC000420626316 280815719 /nfs/dbraw/zinc/81/57/19/280815719.db2.gz LOHKPUXCLSHJFQ-UHFFFAOYSA-N 2 1 290.386 2.419 20 0 CEADMP C[C@H](O)C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422873008 280942835 /nfs/dbraw/zinc/94/28/35/280942835.db2.gz JLYVAWQMSZPTMY-NXNVCVFFSA-N 2 1 276.424 2.271 20 0 CEADMP COc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)c(C(F)(F)F)c1 ZINC000422876946 280946046 /nfs/dbraw/zinc/94/60/46/280946046.db2.gz GVNFVPKZONTVNN-SECBINFHSA-N 2 1 288.313 2.412 20 0 CEADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000422920020 280965726 /nfs/dbraw/zinc/96/57/26/280965726.db2.gz LHXMGROZDBWXTE-WHOFXGATSA-N 2 1 266.360 2.101 20 0 CEADMP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+]C2)C[C@H]1OCc1ccccc1 ZINC000423050666 281010557 /nfs/dbraw/zinc/01/05/57/281010557.db2.gz LQYTXCYDQYZDHT-BZUAXINKSA-N 2 1 274.408 2.322 20 0 CEADMP COCC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CCCCC1 ZINC000423133856 281017928 /nfs/dbraw/zinc/01/79/28/281017928.db2.gz DIAQFLPVZXYHJZ-KGLIPLIRSA-N 2 1 254.418 2.171 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC1CCCCC1)C(C)C ZINC000423381897 281027134 /nfs/dbraw/zinc/02/71/34/281027134.db2.gz DCOQJGZWZQDMNQ-HNNXBMFYSA-N 2 1 283.460 2.131 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])c(C)c1OC ZINC000423407161 281031620 /nfs/dbraw/zinc/03/16/20/281031620.db2.gz VMMWAQPCFNFISM-ONGXEEELSA-N 2 1 252.358 2.010 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc(OC)c1OC ZINC000423434734 281040483 /nfs/dbraw/zinc/04/04/83/281040483.db2.gz DLFVCONJHMVQLU-DCAQKATOSA-N 2 1 282.384 2.099 20 0 CEADMP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CC2CCCCC2)C[N@H+]1C1CC1 ZINC000423438031 281042589 /nfs/dbraw/zinc/04/25/89/281042589.db2.gz UURCBQVOWUHYET-XNRPHZJLSA-N 2 1 293.455 2.026 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423440388 281043661 /nfs/dbraw/zinc/04/36/61/281043661.db2.gz IQIWCCBYRPBXDI-MCIONIFRSA-N 3 1 279.428 2.013 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC000347020625 281052646 /nfs/dbraw/zinc/05/26/46/281052646.db2.gz USWMKSPCSOFEAL-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000423770183 281088227 /nfs/dbraw/zinc/08/82/27/281088227.db2.gz ZPSKYQCKDMYRDW-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cncn2C(C)C)C1 ZINC000424164241 281126969 /nfs/dbraw/zinc/12/69/69/281126969.db2.gz YUHKEVVQIWKJET-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cncn2C(C)C)C1 ZINC000424164241 281126971 /nfs/dbraw/zinc/12/69/71/281126971.db2.gz YUHKEVVQIWKJET-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000424274388 281141566 /nfs/dbraw/zinc/14/15/66/281141566.db2.gz YRXLNNHMCZMBJB-VXTDNTOSSA-N 2 1 296.455 2.428 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424300585 281143994 /nfs/dbraw/zinc/14/39/94/281143994.db2.gz WVCIRXFXBZNRSA-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@]1(c2nc(C3([NH3+])CCCCC3)no2)CCCC[NH2+]1 ZINC000424350567 281151993 /nfs/dbraw/zinc/15/19/93/281151993.db2.gz XNFAVHMUKHZJRV-ZDUSSCGKSA-N 2 1 264.373 2.176 20 0 CEADMP CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424381421 281154921 /nfs/dbraw/zinc/15/49/21/281154921.db2.gz QSPURQXUIINXSE-ZIAGYGMSSA-N 2 1 278.396 2.453 20 0 CEADMP C[C@H]1CN(CC[NH+]2CCCCC2)CC[N@H+](C2CCC2)C1 ZINC000429361208 281235410 /nfs/dbraw/zinc/23/54/10/281235410.db2.gz IWHFHZUVRMIGDJ-INIZCTEOSA-N 2 1 279.472 2.279 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430635274 281271756 /nfs/dbraw/zinc/27/17/56/281271756.db2.gz GMKOQUFUYUZWIN-ZDUSSCGKSA-N 2 1 293.386 2.133 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000430930077 281282119 /nfs/dbraw/zinc/28/21/19/281282119.db2.gz ROBOYVVYPJNWFK-CJNGLKHVSA-N 2 1 262.397 2.297 20 0 CEADMP CC[N@H+](Cc1cnc(N(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000435380554 281386559 /nfs/dbraw/zinc/38/65/59/281386559.db2.gz OYKMYBGSVWMPQA-LBPRGKRZSA-N 2 1 282.457 2.173 20 0 CEADMP CC[N@@H+](Cc1cnc(N(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000435380554 281386563 /nfs/dbraw/zinc/38/65/63/281386563.db2.gz OYKMYBGSVWMPQA-LBPRGKRZSA-N 2 1 282.457 2.173 20 0 CEADMP c1ccc(C[N@H+](CC2CC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435389334 281387775 /nfs/dbraw/zinc/38/77/75/281387775.db2.gz KDFPRIPUQWOZDT-MRXNPFEDSA-N 2 1 259.397 2.436 20 0 CEADMP C[NH+](C)C1(C[NH2+]CC[C@H]2CCOC2)CCCCC1 ZINC000438072937 281443975 /nfs/dbraw/zinc/44/39/75/281443975.db2.gz NBQGELAVSTYRNT-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000152884352 289100085 /nfs/dbraw/zinc/10/00/85/289100085.db2.gz ISUFQGNVBDGGMB-ZDUSSCGKSA-N 2 1 298.402 2.453 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000156311062 289193589 /nfs/dbraw/zinc/19/35/89/289193589.db2.gz PNLVHJUASYOIHS-MGPQQGTHSA-N 2 1 297.443 2.068 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000156311062 289193591 /nfs/dbraw/zinc/19/35/91/289193591.db2.gz PNLVHJUASYOIHS-MGPQQGTHSA-N 2 1 297.443 2.068 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000156463330 289195888 /nfs/dbraw/zinc/19/58/88/289195888.db2.gz BGQJYFYSMRFFLJ-HSBZDZAISA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(=O)N(C)C ZINC000357845285 289940077 /nfs/dbraw/zinc/94/00/77/289940077.db2.gz HFFGMAGIUPXSCE-OFQRWUPVSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC([N@H+](C)CCn2cc(Cl)cn2)CC1 ZINC000459331819 290119302 /nfs/dbraw/zinc/11/93/02/290119302.db2.gz WLNLWOQQVVEUSH-UHFFFAOYSA-N 2 1 284.835 2.341 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCn2cc(Cl)cn2)CC1 ZINC000459331819 290119303 /nfs/dbraw/zinc/11/93/03/290119303.db2.gz WLNLWOQQVVEUSH-UHFFFAOYSA-N 2 1 284.835 2.341 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459415273 290141350 /nfs/dbraw/zinc/14/13/50/290141350.db2.gz BLIYQBWHAVLOLS-CABCVRRESA-N 2 1 274.412 2.316 20 0 CEADMP C(C1CCCC1)[N@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000459435221 290148074 /nfs/dbraw/zinc/14/80/74/290148074.db2.gz WZLBVIZBURKUBF-QGZVFWFLSA-N 2 1 291.483 2.467 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459456735 290154768 /nfs/dbraw/zinc/15/47/68/290154768.db2.gz PKVRAFHDRQUBIV-OAHLLOKOSA-N 2 1 268.445 2.246 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cn3ccccc3n2)C1 ZINC000459732052 290219946 /nfs/dbraw/zinc/21/99/46/290219946.db2.gz LZESDDOXBXNWQG-CQSZACIVSA-N 2 1 272.396 2.156 20 0 CEADMP Cc1csc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000459733337 290220890 /nfs/dbraw/zinc/22/08/90/290220890.db2.gz NIEXDXYBRFWGSQ-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP CC(=O)Nc1ccccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459746982 290225326 /nfs/dbraw/zinc/22/53/26/290225326.db2.gz ZJXBMVLEQJTKEN-HNNXBMFYSA-N 2 1 289.423 2.467 20 0 CEADMP CC(C[NH+]1C[C@@H]2C[C@H]1CS2)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459798075 290243679 /nfs/dbraw/zinc/24/36/79/290243679.db2.gz UCACRSGCPWAGGM-XUXIUFHCSA-N 2 1 284.494 2.002 20 0 CEADMP CC(C[NH+]1C[C@@H]2C[C@H]1CS2)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459798075 290243682 /nfs/dbraw/zinc/24/36/82/290243682.db2.gz UCACRSGCPWAGGM-XUXIUFHCSA-N 2 1 284.494 2.002 20 0 CEADMP Cc1cnc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)s1 ZINC000459796868 290243943 /nfs/dbraw/zinc/24/39/43/290243943.db2.gz WPFACEGYYDLINP-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459799051 290245113 /nfs/dbraw/zinc/24/51/13/290245113.db2.gz WLKIOFHZRPFAMA-DLBZAZTESA-N 2 1 291.439 2.455 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459799051 290245116 /nfs/dbraw/zinc/24/51/16/290245116.db2.gz WLKIOFHZRPFAMA-DLBZAZTESA-N 2 1 291.439 2.455 20 0 CEADMP CC(C)[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000487987821 290371871 /nfs/dbraw/zinc/37/18/71/290371871.db2.gz LKBRKJXTQNWYPA-INIZCTEOSA-N 2 1 267.461 2.134 20 0 CEADMP COCCSCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000488435320 290398813 /nfs/dbraw/zinc/39/88/13/290398813.db2.gz VGIAQEYSRJNCCN-ZIAGYGMSSA-N 2 1 274.474 2.171 20 0 CEADMP COCCSCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000488435320 290398814 /nfs/dbraw/zinc/39/88/14/290398814.db2.gz VGIAQEYSRJNCCN-ZIAGYGMSSA-N 2 1 274.474 2.171 20 0 CEADMP COCCSCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000488435320 290398817 /nfs/dbraw/zinc/39/88/17/290398817.db2.gz VGIAQEYSRJNCCN-ZIAGYGMSSA-N 2 1 274.474 2.171 20 0 CEADMP COCCSCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000488435320 290398811 /nfs/dbraw/zinc/39/88/11/290398811.db2.gz VGIAQEYSRJNCCN-ZIAGYGMSSA-N 2 1 274.474 2.171 20 0 CEADMP Clc1ccc2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CCCO2 ZINC000335551171 294109040 /nfs/dbraw/zinc/10/90/40/294109040.db2.gz BNWLUXFWPWADEZ-ZDUSSCGKSA-N 2 1 266.772 2.363 20 0 CEADMP C[C@@H]1CCCC[C@@H]1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000518396405 297629324 /nfs/dbraw/zinc/62/93/24/297629324.db2.gz DMQLCAAZSIOYCC-HUUCEWRRSA-N 2 1 268.445 2.249 20 0 CEADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC([NH+](C)C)CC1 ZINC000528350036 297807653 /nfs/dbraw/zinc/80/76/53/297807653.db2.gz KIZTUULXTABCKK-KRWDZBQOSA-N 2 1 294.414 2.409 20 0 CEADMP C[C@H](C(=O)N1CCC(C[NH+](C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000358437564 298008180 /nfs/dbraw/zinc/00/81/80/298008180.db2.gz FFSFSFWKMYEZKM-QLFBSQMISA-N 2 1 295.471 2.048 20 0 CEADMP Cc1cnccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000530217617 298053084 /nfs/dbraw/zinc/05/30/84/298053084.db2.gz AEPRGSAQFSNICD-HOCLYGCPSA-N 2 1 259.397 2.212 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000530223333 298056266 /nfs/dbraw/zinc/05/62/66/298056266.db2.gz UCWHISHLCZQRBX-HIFRSBDPSA-N 2 1 295.814 2.063 20 0 CEADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccnc1 ZINC000530407216 298068980 /nfs/dbraw/zinc/06/89/80/298068980.db2.gz CGJKZCDUOJADKX-HNNXBMFYSA-N 2 1 258.369 2.345 20 0 CEADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1OC ZINC000531699730 298116400 /nfs/dbraw/zinc/11/64/00/298116400.db2.gz DXTYKXYACHGPRL-UKRRQHHQSA-N 2 1 292.423 2.176 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)c1C ZINC000531965901 298126804 /nfs/dbraw/zinc/12/68/04/298126804.db2.gz SRAFLYMITKNONY-BLLLJJGKSA-N 2 1 278.444 2.340 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1C ZINC000531965901 298126806 /nfs/dbraw/zinc/12/68/06/298126806.db2.gz SRAFLYMITKNONY-BLLLJJGKSA-N 2 1 278.444 2.340 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCOCC1 ZINC000531970055 298127162 /nfs/dbraw/zinc/12/71/62/298127162.db2.gz FHOSNSQWTMLVOO-IRXDYDNUSA-N 2 1 298.471 2.018 20 0 CEADMP C[C@H](C(=O)NC(C)(C)C[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413860058 298131742 /nfs/dbraw/zinc/13/17/42/298131742.db2.gz LXKKGIZXQQRMEH-QLFBSQMISA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000532469309 298145242 /nfs/dbraw/zinc/14/52/42/298145242.db2.gz VATMPLFDJSXQJD-HIFRSBDPSA-N 2 1 254.418 2.002 20 0 CEADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCc1c[nH+]cn1C ZINC000546689145 298358028 /nfs/dbraw/zinc/35/80/28/298358028.db2.gz UTOCZYWSEOZDCA-OAHLLOKOSA-N 2 1 289.354 2.387 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346693114 298363537 /nfs/dbraw/zinc/36/35/37/298363537.db2.gz KVCWHGVOLXCFIU-VNHYZAJKSA-N 2 1 254.418 2.108 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000311217694 298390869 /nfs/dbraw/zinc/39/08/69/298390869.db2.gz NDAULBCLOQWQKP-CYBMUJFWSA-N 2 1 255.450 2.356 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH2+][C@H]3C)c2C1 ZINC000566563868 299003717 /nfs/dbraw/zinc/00/37/17/299003717.db2.gz OLSKHMOYNKGBQH-GXTWGEPZSA-N 2 1 287.407 2.349 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH2+][C@H]3C)c2C1 ZINC000566563868 299003720 /nfs/dbraw/zinc/00/37/20/299003720.db2.gz OLSKHMOYNKGBQH-GXTWGEPZSA-N 2 1 287.407 2.349 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nccn1Cc1ccccc1 ZINC000567343937 299054830 /nfs/dbraw/zinc/05/48/30/299054830.db2.gz BDDVSQHQHPZHBK-KBPBESRZSA-N 2 1 272.396 2.147 20 0 CEADMP CN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000517146052 313103490 /nfs/dbraw/zinc/10/34/90/313103490.db2.gz XASZKAAAKJPRRR-QGZVFWFLSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000521949518 313136469 /nfs/dbraw/zinc/13/64/69/313136469.db2.gz BTGCYTVYUKZYOT-HOCLYGCPSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([NH2+]CC2CC[NH+](CC)CC2)[C@@H](C)C1 ZINC000521949518 313136471 /nfs/dbraw/zinc/13/64/71/313136471.db2.gz BTGCYTVYUKZYOT-HOCLYGCPSA-N 2 1 267.461 2.038 20 0 CEADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)OC)c1 ZINC000527918199 313214589 /nfs/dbraw/zinc/21/45/89/313214589.db2.gz FXXZUCJIBBVGID-LXZKKBNFSA-N 2 1 292.423 2.455 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527960509 313220691 /nfs/dbraw/zinc/22/06/91/313220691.db2.gz CVPPQOQTVDNGEM-WWGRRREGSA-N 2 1 286.423 2.392 20 0 CEADMP CC[C@H]1CCC[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000532481343 313349394 /nfs/dbraw/zinc/34/93/94/313349394.db2.gz AVQGKHNCJJKLNG-DLBZAZTESA-N 2 1 281.488 2.428 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@H]1CCC12CCOCC2)C1CCCC1 ZINC000568380887 313948751 /nfs/dbraw/zinc/94/87/51/313948751.db2.gz CSAXFFIQJZYLSN-KBPBESRZSA-N 2 1 252.402 2.053 20 0 CEADMP Cn1c[nH+]cc1CCCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000568410853 313953633 /nfs/dbraw/zinc/95/36/33/313953633.db2.gz ZXKNLDUYECKXRX-UHFFFAOYSA-N 2 1 292.471 2.407 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC12CCOCC2 ZINC000570733865 314054987 /nfs/dbraw/zinc/05/49/87/314054987.db2.gz WOUOZUMLEWKHQA-KGLIPLIRSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC12CCOCC2 ZINC000570733865 314054990 /nfs/dbraw/zinc/05/49/90/314054990.db2.gz WOUOZUMLEWKHQA-KGLIPLIRSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000571194014 314077028 /nfs/dbraw/zinc/07/70/28/314077028.db2.gz KNWUSLMAODKQMY-CABCVRRESA-N 3 1 267.461 2.085 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000573134688 314142454 /nfs/dbraw/zinc/14/24/54/314142454.db2.gz QFVMNVNADIDDSS-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000573478342 314160304 /nfs/dbraw/zinc/16/03/04/314160304.db2.gz PBRUCXAKKRWJFA-KRWDZBQOSA-N 2 1 276.424 2.054 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC1(C)CCCCCC1)C1CC1 ZINC000573556881 314167306 /nfs/dbraw/zinc/16/73/06/314167306.db2.gz IWSCVACLYLJUER-OAHLLOKOSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(C)CCCCCC1)C1CC1 ZINC000573556881 314167311 /nfs/dbraw/zinc/16/73/11/314167311.db2.gz IWSCVACLYLJUER-OAHLLOKOSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000574269019 314202766 /nfs/dbraw/zinc/20/27/66/314202766.db2.gz XHSJYDKMPWQSSC-MSOLQXFVSA-N 3 1 287.451 2.411 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000574269019 314202768 /nfs/dbraw/zinc/20/27/68/314202768.db2.gz XHSJYDKMPWQSSC-MSOLQXFVSA-N 3 1 287.451 2.411 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000576114108 314243359 /nfs/dbraw/zinc/24/33/59/314243359.db2.gz LOGHNGPVIIEHFX-IAGOWNOFSA-N 2 1 276.424 2.227 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000576356272 314267997 /nfs/dbraw/zinc/26/79/97/314267997.db2.gz ABCJWXZZIDHUAB-QGZVFWFLSA-N 2 1 290.451 2.353 20 0 CEADMP c1cncc([C@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000576399681 314271429 /nfs/dbraw/zinc/27/14/29/314271429.db2.gz ZTSRICYOZLBSQD-INIZCTEOSA-N 2 1 259.397 2.261 20 0 CEADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000576594166 314292298 /nfs/dbraw/zinc/29/22/98/314292298.db2.gz LURATPHKFMKNKR-HUUCEWRRSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1ccnc1[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000576594166 314292300 /nfs/dbraw/zinc/29/23/00/314292300.db2.gz LURATPHKFMKNKR-HUUCEWRRSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1ccnc1[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000576594166 314292303 /nfs/dbraw/zinc/29/23/03/314292303.db2.gz LURATPHKFMKNKR-HUUCEWRRSA-N 2 1 276.428 2.084 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CCO)c1ccccc1 ZINC000577384230 314370445 /nfs/dbraw/zinc/37/04/45/314370445.db2.gz TZPWCULUAHIOQG-MRXNPFEDSA-N 2 1 273.380 2.066 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)C2CCCCC2)CC1 ZINC000182941016 321704426 /nfs/dbraw/zinc/70/44/26/321704426.db2.gz INESOJJKIVBOHN-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP COC[C@H](C)C[NH2+][C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000187713992 321761472 /nfs/dbraw/zinc/76/14/72/321761472.db2.gz CYUIIPXEVZZAGG-KBUPBQIOSA-N 2 1 256.434 2.225 20 0 CEADMP COC[C@@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)C1CCOCC1 ZINC000187747002 321762491 /nfs/dbraw/zinc/76/24/91/321762491.db2.gz OKGUULWOMRNENH-IAGOWNOFSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000580841161 322348801 /nfs/dbraw/zinc/34/88/01/322348801.db2.gz CTTLMBARAXNYOS-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000580841161 322348802 /nfs/dbraw/zinc/34/88/02/322348802.db2.gz CTTLMBARAXNYOS-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000580841161 322348805 /nfs/dbraw/zinc/34/88/05/322348805.db2.gz CTTLMBARAXNYOS-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)CCC(C)C ZINC000581483404 322399698 /nfs/dbraw/zinc/39/96/98/322399698.db2.gz JZQWEBZVVBOCOV-UKRRQHHQSA-N 2 1 267.417 2.214 20 0 CEADMP CC[C@@H]([NH2+]CCOc1ccccc1OC)[C@@H]1CCC[NH2+]1 ZINC000583375480 322542315 /nfs/dbraw/zinc/54/23/15/322542315.db2.gz MVUQNMWOMXBAAE-KGLIPLIRSA-N 2 1 278.396 2.194 20 0 CEADMP CC1CCC(N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000420322056 500582586 /nfs/dbraw/zinc/58/25/86/500582586.db2.gz RXGRPWRGZLWSLG-CGZBRXJRSA-N 2 1 279.472 2.182 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc3c(c1)CCO3)C2 ZINC000312689379 501036059 /nfs/dbraw/zinc/03/60/59/501036059.db2.gz MGGKFROOEWSZQZ-RDJZCZTQSA-N 2 1 272.392 2.182 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)nc2C)C1 ZINC000278534568 519863942 /nfs/dbraw/zinc/86/39/42/519863942.db2.gz SGJZWCKZZORAHF-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)nc2C)C1 ZINC000278534568 519863944 /nfs/dbraw/zinc/86/39/44/519863944.db2.gz SGJZWCKZZORAHF-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000357066191 534637373 /nfs/dbraw/zinc/63/73/73/534637373.db2.gz BWWYRHJHACPZHD-AWEZNQCLSA-N 2 1 282.815 2.322 20 0 CEADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1nccn1C ZINC000183020702 522826202 /nfs/dbraw/zinc/82/62/02/522826202.db2.gz BUNYLYBBOWGRCH-CQSZACIVSA-N 2 1 275.400 2.446 20 0 CEADMP COCc1cccc(C[NH2+]CCn2cc[nH+]c2C)c1 ZINC000049330248 523054357 /nfs/dbraw/zinc/05/43/57/523054357.db2.gz KYEXTEKFMRPTSS-UHFFFAOYSA-N 2 1 259.353 2.128 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400462940 534690521 /nfs/dbraw/zinc/69/05/21/534690521.db2.gz RZEBWPQFCIARQM-GXTWGEPZSA-N 2 1 272.396 2.075 20 0 CEADMP COC(=O)[C@@H]1CCCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000364700594 523675430 /nfs/dbraw/zinc/67/54/30/523675430.db2.gz VCCIAVFTACYNHV-HNNXBMFYSA-N 2 1 293.411 2.389 20 0 CEADMP COC(=O)[C@@H]1CCCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000364700594 523675442 /nfs/dbraw/zinc/67/54/42/523675442.db2.gz VCCIAVFTACYNHV-HNNXBMFYSA-N 2 1 293.411 2.389 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2ccncn2)C1 ZINC000363458760 523823896 /nfs/dbraw/zinc/82/38/96/523823896.db2.gz AXSDIOUSCWFKBL-HUUCEWRRSA-N 2 1 274.412 2.140 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2ccncn2)C1 ZINC000363458760 523823900 /nfs/dbraw/zinc/82/39/00/523823900.db2.gz AXSDIOUSCWFKBL-HUUCEWRRSA-N 2 1 274.412 2.140 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000363458760 523823903 /nfs/dbraw/zinc/82/39/03/523823903.db2.gz AXSDIOUSCWFKBL-HUUCEWRRSA-N 2 1 274.412 2.140 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000363458760 523823905 /nfs/dbraw/zinc/82/39/05/523823905.db2.gz AXSDIOUSCWFKBL-HUUCEWRRSA-N 2 1 274.412 2.140 20 0 CEADMP COc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1F ZINC000049554420 524087807 /nfs/dbraw/zinc/08/78/07/524087807.db2.gz FEMNOKUUKJCTTD-LLVKDONJSA-N 2 1 254.349 2.264 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000157750071 524551888 /nfs/dbraw/zinc/55/18/88/524551888.db2.gz OLWLSGRPYRWHJI-AWEZNQCLSA-N 2 1 264.417 2.126 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000157750071 524551900 /nfs/dbraw/zinc/55/19/00/524551900.db2.gz OLWLSGRPYRWHJI-AWEZNQCLSA-N 2 1 264.417 2.126 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN(C)Cc1ccccc1 ZINC000151030002 524556959 /nfs/dbraw/zinc/55/69/59/524556959.db2.gz BCGWENFWPSDKDI-RDJZCZTQSA-N 2 1 275.440 2.048 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000163914646 524743001 /nfs/dbraw/zinc/74/30/01/524743001.db2.gz NAMBBPFKWKHSQU-LSDHHAIUSA-N 2 1 262.397 2.291 20 0 CEADMP Cc1c(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cnn1C ZINC000363459044 525702523 /nfs/dbraw/zinc/70/25/23/525702523.db2.gz GCSFIGIEDUEMPY-UHFFFAOYSA-N 2 1 299.422 2.224 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000049556633 525924264 /nfs/dbraw/zinc/92/42/64/525924264.db2.gz VTLAEKVRERZBAS-HOCLYGCPSA-N 2 1 262.397 2.102 20 0 CEADMP c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)O2 ZINC000155816124 526511820 /nfs/dbraw/zinc/51/18/20/526511820.db2.gz CNINRUDVHWUTNI-KFWWJZLASA-N 2 1 288.391 2.043 20 0 CEADMP c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)O2 ZINC000155816124 526511822 /nfs/dbraw/zinc/51/18/22/526511822.db2.gz CNINRUDVHWUTNI-KFWWJZLASA-N 2 1 288.391 2.043 20 0 CEADMP Cc1noc(C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000363683079 526589008 /nfs/dbraw/zinc/58/90/08/526589008.db2.gz OWYWZYHRAPRDRA-HNNXBMFYSA-N 2 1 292.427 2.432 20 0 CEADMP Cc1noc(C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000363683079 526589012 /nfs/dbraw/zinc/58/90/12/526589012.db2.gz OWYWZYHRAPRDRA-HNNXBMFYSA-N 2 1 292.427 2.432 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(C)(C)[NH3+])cc1 ZINC000370765454 527380306 /nfs/dbraw/zinc/38/03/06/527380306.db2.gz CSHFQDLNTLINTB-NSHDSACASA-N 2 1 286.379 2.095 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOC(C)(C)C)C1 ZINC000174949556 527838421 /nfs/dbraw/zinc/83/84/21/527838421.db2.gz MFRNBVQMPNUJBF-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOC(C)(C)C)C1 ZINC000174949556 527838427 /nfs/dbraw/zinc/83/84/27/527838427.db2.gz MFRNBVQMPNUJBF-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000174949556 527838429 /nfs/dbraw/zinc/83/84/29/527838429.db2.gz MFRNBVQMPNUJBF-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000418208004 527984823 /nfs/dbraw/zinc/98/48/23/527984823.db2.gz VIIBERGIRJJYEP-RBSFLKMASA-N 2 1 298.475 2.018 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)Nc1nc(C)[nH+]c(C)c1C ZINC000357775159 527992867 /nfs/dbraw/zinc/99/28/67/527992867.db2.gz NYCJVSCPUSVNCL-NSHDSACASA-N 2 1 264.417 2.356 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)Nc1nc(C)[nH+]c(C)c1C ZINC000357775159 527992868 /nfs/dbraw/zinc/99/28/68/527992868.db2.gz NYCJVSCPUSVNCL-NSHDSACASA-N 2 1 264.417 2.356 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)C12CCCC2 ZINC000401838818 528098259 /nfs/dbraw/zinc/09/82/59/528098259.db2.gz MLLHYKOQIJOLEE-CABCVRRESA-N 2 1 277.412 2.290 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000414339003 528988731 /nfs/dbraw/zinc/98/87/31/528988731.db2.gz FNOWPYRVIFEXEN-INIZCTEOSA-N 2 1 291.414 2.478 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])c2C1 ZINC000192105698 535001703 /nfs/dbraw/zinc/00/17/03/535001703.db2.gz LYJQYRNLXWDJCU-NWDGAFQWSA-N 2 1 275.396 2.334 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])c2C1 ZINC000192105698 535001704 /nfs/dbraw/zinc/00/17/04/535001704.db2.gz LYJQYRNLXWDJCU-NWDGAFQWSA-N 2 1 275.396 2.334 20 0 CEADMP C[N@@H+](CCC1CCCCC1)C[C@H](O)C[NH+]1CCCC1 ZINC000726071352 574423614 /nfs/dbraw/zinc/42/36/14/574423614.db2.gz FEJMEKMGCIGNEM-INIZCTEOSA-N 2 1 268.445 2.345 20 0 CEADMP C[C@@H](C[N@H+](C)C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000727586505 574453318 /nfs/dbraw/zinc/45/33/18/574453318.db2.gz SHZFUPFOHOLKIR-RDJZCZTQSA-N 2 1 276.424 2.179 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000727586505 574453319 /nfs/dbraw/zinc/45/33/19/574453319.db2.gz SHZFUPFOHOLKIR-RDJZCZTQSA-N 2 1 276.424 2.179 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CCCC[NH+](C)C)C1 ZINC000729520750 574489111 /nfs/dbraw/zinc/48/91/11/574489111.db2.gz RGPXEHKRGFENIM-INIZCTEOSA-N 2 1 297.487 2.347 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccnc(N(C)C)c2)CCN1C ZINC000754048828 574521534 /nfs/dbraw/zinc/52/15/34/574521534.db2.gz GSCQEQDBWGZIIO-UKRRQHHQSA-N 2 1 276.428 2.062 20 0 CEADMP CCC/C(C)=C/C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732779584 574629749 /nfs/dbraw/zinc/62/97/49/574629749.db2.gz XSIJCNNDEMVMDZ-ZQHYZAEZSA-N 2 1 293.455 2.018 20 0 CEADMP CCC/C(C)=C/C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732779584 574629750 /nfs/dbraw/zinc/62/97/50/574629750.db2.gz XSIJCNNDEMVMDZ-ZQHYZAEZSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000743273456 575045816 /nfs/dbraw/zinc/04/58/16/575045816.db2.gz RAYXDWBBHXBKMM-BZUAXINKSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000743273456 575045817 /nfs/dbraw/zinc/04/58/17/575045817.db2.gz RAYXDWBBHXBKMM-BZUAXINKSA-N 2 1 268.445 2.344 20 0 CEADMP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000743869134 575111717 /nfs/dbraw/zinc/11/17/17/575111717.db2.gz LZZQNUDHMDVAKL-RRFJBIMHSA-N 2 1 286.485 2.049 20 0 CEADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000743869134 575111718 /nfs/dbraw/zinc/11/17/18/575111718.db2.gz LZZQNUDHMDVAKL-RRFJBIMHSA-N 2 1 286.485 2.049 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC000747532435 575171694 /nfs/dbraw/zinc/17/16/94/575171694.db2.gz XUFVVGPFCRTRPG-VGVVRCBHSA-N 2 1 260.809 2.172 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000749198877 575208859 /nfs/dbraw/zinc/20/88/59/575208859.db2.gz SQKBWNAGEJEPAL-QWRGUYRKSA-N 2 1 265.228 2.454 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000749198877 575208860 /nfs/dbraw/zinc/20/88/60/575208860.db2.gz SQKBWNAGEJEPAL-QWRGUYRKSA-N 2 1 265.228 2.454 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000749198877 575208861 /nfs/dbraw/zinc/20/88/61/575208861.db2.gz SQKBWNAGEJEPAL-QWRGUYRKSA-N 2 1 265.228 2.454 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000749198877 575208862 /nfs/dbraw/zinc/20/88/62/575208862.db2.gz SQKBWNAGEJEPAL-QWRGUYRKSA-N 2 1 265.228 2.454 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000971541181 614280051 /nfs/dbraw/zinc/28/00/51/614280051.db2.gz WCROUZIZXPYTBF-HNNXBMFYSA-N 2 1 295.471 2.192 20 0 CEADMP CCC(CC)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980840342 614557490 /nfs/dbraw/zinc/55/74/90/614557490.db2.gz YFTYLKRVVFUODG-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC(CC)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000980840342 614557494 /nfs/dbraw/zinc/55/74/94/614557494.db2.gz YFTYLKRVVFUODG-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC(CC)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000980840342 614557496 /nfs/dbraw/zinc/55/74/96/614557496.db2.gz YFTYLKRVVFUODG-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC)CC1(C)C ZINC000940786446 614680855 /nfs/dbraw/zinc/68/08/55/614680855.db2.gz WISJHXAEDFMHAH-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC)CC1(C)C ZINC000940786446 614680857 /nfs/dbraw/zinc/68/08/57/614680857.db2.gz WISJHXAEDFMHAH-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC)CC1(C)C ZINC000940786446 614680859 /nfs/dbraw/zinc/68/08/59/614680859.db2.gz WISJHXAEDFMHAH-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000949012149 614684824 /nfs/dbraw/zinc/68/48/24/614684824.db2.gz PMMLNABTQDPRSJ-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000949012149 614684826 /nfs/dbraw/zinc/68/48/26/614684826.db2.gz PMMLNABTQDPRSJ-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000947851799 614710935 /nfs/dbraw/zinc/71/09/35/614710935.db2.gz AMXPBHYVPQUFQH-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968857133 615109003 /nfs/dbraw/zinc/10/90/03/615109003.db2.gz TZEHSCGZDFUPNY-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000968857133 615109005 /nfs/dbraw/zinc/10/90/05/615109005.db2.gz TZEHSCGZDFUPNY-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000968857133 615109006 /nfs/dbraw/zinc/10/90/06/615109006.db2.gz TZEHSCGZDFUPNY-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969002187 615109136 /nfs/dbraw/zinc/10/91/36/615109136.db2.gz MCWHARQKBSCBJZ-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000969002187 615109137 /nfs/dbraw/zinc/10/91/37/615109137.db2.gz MCWHARQKBSCBJZ-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000969002187 615109139 /nfs/dbraw/zinc/10/91/39/615109139.db2.gz MCWHARQKBSCBJZ-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000981953638 615439324 /nfs/dbraw/zinc/43/93/24/615439324.db2.gz QEWNGYXRRJQVPM-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000981953638 615439326 /nfs/dbraw/zinc/43/93/26/615439326.db2.gz QEWNGYXRRJQVPM-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000981953638 615439327 /nfs/dbraw/zinc/43/93/27/615439327.db2.gz QEWNGYXRRJQVPM-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001024023878 625297847 /nfs/dbraw/zinc/29/78/47/625297847.db2.gz PZSOHDHNPFUGML-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000309765646 625311513 /nfs/dbraw/zinc/31/15/13/625311513.db2.gz ZKVQZQNCVRMHGJ-MAUKXSAKSA-N 2 1 298.434 2.444 20 0 CEADMP CCC[C@H](C)[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926643352 625607787 /nfs/dbraw/zinc/60/77/87/625607787.db2.gz GIFMSTFWAQVYGQ-MKXAEBJUSA-N 2 1 298.471 2.015 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174028 623117917 /nfs/dbraw/zinc/11/79/17/623117917.db2.gz UVOAELIOYGKJSX-HUUCEWRRSA-N 2 1 262.397 2.433 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC(CO)(C(F)(F)F)CC1 ZINC000932827148 623197460 /nfs/dbraw/zinc/19/74/60/623197460.db2.gz DJCMKCSAGYLKBT-GFCCVEGCSA-N 2 1 294.361 2.108 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932827148 623197463 /nfs/dbraw/zinc/19/74/63/623197463.db2.gz DJCMKCSAGYLKBT-GFCCVEGCSA-N 2 1 294.361 2.108 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932827148 623197467 /nfs/dbraw/zinc/19/74/67/623197467.db2.gz DJCMKCSAGYLKBT-GFCCVEGCSA-N 2 1 294.361 2.108 20 0 CEADMP FC(F)c1cccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000261668352 623427875 /nfs/dbraw/zinc/42/78/75/623427875.db2.gz LCVLSSYOEIWTPC-OAHLLOKOSA-N 2 1 295.377 2.104 20 0 CEADMP C[NH+](C)C(C)(C)C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000924540755 625652270 /nfs/dbraw/zinc/65/22/70/625652270.db2.gz JTMMKZVFQVLVOX-ZIAGYGMSSA-N 2 1 254.418 2.121 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308360696 623673935 /nfs/dbraw/zinc/67/39/35/623673935.db2.gz GQXAVUKQRDRLJD-IHRRRGAJSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308360696 623673938 /nfs/dbraw/zinc/67/39/38/623673938.db2.gz GQXAVUKQRDRLJD-IHRRRGAJSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+](Cc1ccc(O)c(F)c1)CC1CC[NH+](C)CC1 ZINC000234333793 623713542 /nfs/dbraw/zinc/71/35/42/623713542.db2.gz JAWCOZIGLYKSBO-UHFFFAOYSA-N 2 1 266.360 2.305 20 0 CEADMP [NH3+]CCCOC1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000094073015 623825145 /nfs/dbraw/zinc/82/51/45/623825145.db2.gz XBPFXEWHROXMRH-UHFFFAOYSA-N 2 1 283.803 2.065 20 0 CEADMP Cc1ccc(CC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC000933736585 623986119 /nfs/dbraw/zinc/98/61/19/623986119.db2.gz XKMJHZRUHWQPCN-SJORKVTESA-N 2 1 258.409 2.421 20 0 CEADMP Cc1ccc(CC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000933736585 623986121 /nfs/dbraw/zinc/98/61/21/623986121.db2.gz XKMJHZRUHWQPCN-SJORKVTESA-N 2 1 258.409 2.421 20 0 CEADMP Cc1ccc(CC[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000933736585 623986125 /nfs/dbraw/zinc/98/61/25/623986125.db2.gz XKMJHZRUHWQPCN-SJORKVTESA-N 2 1 258.409 2.421 20 0 CEADMP C[C@H]1CC2(CC([NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)C2)CO1 ZINC000926286257 624079127 /nfs/dbraw/zinc/07/91/27/624079127.db2.gz DKMDQXRDYVGMCM-NJINODPHSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@H]1CC2(CC([NH2+]CCC[N@H+]3CCCO[C@H](C)C3)C2)CO1 ZINC000926286257 624079131 /nfs/dbraw/zinc/07/91/31/624079131.db2.gz DKMDQXRDYVGMCM-NJINODPHSA-N 2 1 296.455 2.035 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3c2OCC3)C1 ZINC000892033509 624263815 /nfs/dbraw/zinc/26/38/15/624263815.db2.gz GHVOEGHREYGRHO-ZDUSSCGKSA-N 2 1 260.381 2.005 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3c2OCC3)C1 ZINC000892033509 624263820 /nfs/dbraw/zinc/26/38/20/624263820.db2.gz GHVOEGHREYGRHO-ZDUSSCGKSA-N 2 1 260.381 2.005 20 0 CEADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892240155 624445437 /nfs/dbraw/zinc/44/54/37/624445437.db2.gz OPGFDNIWSNLDDV-HNNXBMFYSA-N 2 1 296.455 2.384 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934478553 624527247 /nfs/dbraw/zinc/52/72/47/624527247.db2.gz VXZZHMPXCIHRSM-INIZCTEOSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934478553 624527257 /nfs/dbraw/zinc/52/72/57/624527257.db2.gz VXZZHMPXCIHRSM-INIZCTEOSA-N 2 1 277.412 2.473 20 0 CEADMP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250661963 625085560 /nfs/dbraw/zinc/08/55/60/625085560.db2.gz QEUIWRFOACWSIE-WOYTXXSLSA-N 2 1 277.456 2.124 20 0 CEADMP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250661963 625085571 /nfs/dbraw/zinc/08/55/71/625085571.db2.gz QEUIWRFOACWSIE-WOYTXXSLSA-N 3 1 277.456 2.124 20 0 CEADMP C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250661963 625085577 /nfs/dbraw/zinc/08/55/77/625085577.db2.gz QEUIWRFOACWSIE-WOYTXXSLSA-N 3 1 277.456 2.124 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000926573383 625139502 /nfs/dbraw/zinc/13/95/02/625139502.db2.gz MFLKOEHWTAKALU-HUUCEWRRSA-N 2 1 261.413 2.334 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nnc(C2CC2)s1 ZINC000892509758 625740131 /nfs/dbraw/zinc/74/01/31/625740131.db2.gz CYPJIEAQKGCJTF-JTQLQIEISA-N 2 1 291.424 2.346 20 0 CEADMP C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CC[NH+](C2CC2)C1 ZINC000820807901 634533436 /nfs/dbraw/zinc/53/34/36/634533436.db2.gz SZGJVKDHFBTKHC-HQNOKGKPSA-N 3 1 289.467 2.218 20 0 CEADMP C(NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000820807901 634533441 /nfs/dbraw/zinc/53/34/41/634533441.db2.gz SZGJVKDHFBTKHC-HQNOKGKPSA-N 3 1 289.467 2.218 20 0 CEADMP C(NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000820807901 634533446 /nfs/dbraw/zinc/53/34/46/634533446.db2.gz SZGJVKDHFBTKHC-HQNOKGKPSA-N 3 1 289.467 2.218 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CC[NH+](C2CC2)C1 ZINC000820807901 634533453 /nfs/dbraw/zinc/53/34/53/634533453.db2.gz SZGJVKDHFBTKHC-HQNOKGKPSA-N 3 1 289.467 2.218 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CC[NH+](C2CC2)C1 ZINC000820807901 634533460 /nfs/dbraw/zinc/53/34/60/634533460.db2.gz SZGJVKDHFBTKHC-HQNOKGKPSA-N 3 1 289.467 2.218 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000820807901 634533466 /nfs/dbraw/zinc/53/34/66/634533466.db2.gz SZGJVKDHFBTKHC-HQNOKGKPSA-N 3 1 289.467 2.218 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000820807901 634533472 /nfs/dbraw/zinc/53/34/72/634533472.db2.gz SZGJVKDHFBTKHC-HQNOKGKPSA-N 3 1 289.467 2.218 20 0 CEADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)[C@H]1CCCO1 ZINC000820829076 634543420 /nfs/dbraw/zinc/54/34/20/634543420.db2.gz FEQFKIVXNUCCOZ-LDBYLJPUSA-N 2 1 296.455 2.175 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000892584489 627290473 /nfs/dbraw/zinc/29/04/73/627290473.db2.gz KWAJXNPRXYTCOB-GJZGRUSLSA-N 2 1 284.444 2.240 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cnc1F ZINC000892608672 627307628 /nfs/dbraw/zinc/30/76/28/627307628.db2.gz RPMLRMWHTSOMTG-ZIAGYGMSSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cnc1F ZINC000892608672 627307633 /nfs/dbraw/zinc/30/76/33/627307633.db2.gz RPMLRMWHTSOMTG-ZIAGYGMSSA-N 2 1 263.360 2.246 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnn(C)c1C1CC1)C[NH+]1CCCC1 ZINC000892623752 627319636 /nfs/dbraw/zinc/31/96/36/627319636.db2.gz XHQAPNXBYDNOPO-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP CCOc1ccc(C[NH2+]CCCn2cc[nH+]c2C)o1 ZINC000892622898 627319651 /nfs/dbraw/zinc/31/96/51/627319651.db2.gz UPHUCCIGVKCWPV-UHFFFAOYSA-N 2 1 263.341 2.363 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nnc(C(C)C)s1 ZINC000892623041 627320037 /nfs/dbraw/zinc/32/00/37/627320037.db2.gz OAFQBDQKXQUSOH-UHFFFAOYSA-N 2 1 279.413 2.346 20 0 CEADMP COC1CCC(C[NH2+]CCCn2cc[nH+]c2C)CC1 ZINC000892623830 627321429 /nfs/dbraw/zinc/32/14/29/627321429.db2.gz QRWURPDKOIJLKO-UHFFFAOYSA-N 2 1 265.401 2.376 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]C(C)C ZINC001025168678 627365818 /nfs/dbraw/zinc/36/58/18/627365818.db2.gz SPMSFSQXCMZUMD-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902331403 634592712 /nfs/dbraw/zinc/59/27/12/634592712.db2.gz SGUYIEARTCDUEG-OWCLPIDISA-N 2 1 281.488 2.475 20 0 CEADMP C[N@H+](CC[NH2+]CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000892714332 627707098 /nfs/dbraw/zinc/70/70/98/627707098.db2.gz NIHSXXLLGPALDC-UHFFFAOYSA-N 3 1 267.461 2.182 20 0 CEADMP C[N@@H+](CC[NH2+]CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000892714332 627707103 /nfs/dbraw/zinc/70/71/03/627707103.db2.gz NIHSXXLLGPALDC-UHFFFAOYSA-N 3 1 267.461 2.182 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC2(CCCC2)C1 ZINC000851967924 627784366 /nfs/dbraw/zinc/78/43/66/627784366.db2.gz HQENJIMYQSLDSQ-HNNXBMFYSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000851967924 627784371 /nfs/dbraw/zinc/78/43/71/627784371.db2.gz HQENJIMYQSLDSQ-HNNXBMFYSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC2(CCCC2)C1 ZINC000851967924 627784373 /nfs/dbraw/zinc/78/43/73/627784373.db2.gz HQENJIMYQSLDSQ-HNNXBMFYSA-N 2 1 268.445 2.344 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000902352280 634609186 /nfs/dbraw/zinc/60/91/86/634609186.db2.gz KAJROKFBUNDTIF-OLZOCXBDSA-N 2 1 262.401 2.155 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000902352280 634609189 /nfs/dbraw/zinc/60/91/89/634609189.db2.gz KAJROKFBUNDTIF-OLZOCXBDSA-N 2 1 262.401 2.155 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCS(=O)CC2)c1 ZINC000892938404 627865121 /nfs/dbraw/zinc/86/51/21/627865121.db2.gz NFCUPBHLRFHDAM-UHFFFAOYSA-N 2 1 294.464 2.139 20 0 CEADMP COC1CCC(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000892951424 627889296 /nfs/dbraw/zinc/88/92/96/627889296.db2.gz NJVHGFLSFXABCN-CGZBRXJRSA-N 2 1 298.471 2.018 20 0 CEADMP Cc1cc(F)ncc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000893094194 627996678 /nfs/dbraw/zinc/99/66/78/627996678.db2.gz GIYIFCJKKDLMRU-UONOGXRCSA-N 2 1 265.376 2.492 20 0 CEADMP CC(C)n1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925509059 628028636 /nfs/dbraw/zinc/02/86/36/628028636.db2.gz LPWKOJPWJCZHAN-OCCSQVGLSA-N 2 1 264.417 2.460 20 0 CEADMP CC(C)CC[NH+]1CCC(CN[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925540820 628165639 /nfs/dbraw/zinc/16/56/39/628165639.db2.gz GCHFCFDETNAIKU-MRXNPFEDSA-N 2 1 281.488 2.475 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000902397007 634635293 /nfs/dbraw/zinc/63/52/93/634635293.db2.gz LQZSENNPHIVQOH-SJORKVTESA-N 3 1 289.467 2.314 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCOc1ccccc1F ZINC000925544496 628180569 /nfs/dbraw/zinc/18/05/69/628180569.db2.gz ABEHCROKSYJMPP-GXTWGEPZSA-N 2 1 266.360 2.325 20 0 CEADMP C[C@@H](CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000925548879 628191741 /nfs/dbraw/zinc/19/17/41/628191741.db2.gz UQBWOJRYGZXXQC-ALYAQQCSSA-N 2 1 293.499 2.473 20 0 CEADMP C(C1CC1)[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925559637 628228040 /nfs/dbraw/zinc/22/80/40/628228040.db2.gz ZDYWSYVGPQXSGY-FGTMMUONSA-N 2 1 291.483 2.229 20 0 CEADMP CCON1CCC([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000925589381 628269513 /nfs/dbraw/zinc/26/95/13/628269513.db2.gz YBXURAFUAZVGMF-MRXNPFEDSA-N 2 1 297.487 2.360 20 0 CEADMP CC(C)[C@@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000893302175 628276254 /nfs/dbraw/zinc/27/62/54/628276254.db2.gz CCHKJRYWNNSWGC-CQSZACIVSA-N 2 1 284.444 2.284 20 0 CEADMP COC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925601457 628280881 /nfs/dbraw/zinc/28/08/81/628280881.db2.gz ZQDLSRVYXYBHLY-ZNMIVQPWSA-N 2 1 260.381 2.234 20 0 CEADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925618305 628306985 /nfs/dbraw/zinc/30/69/85/628306985.db2.gz ZCQDISOJZXGLCF-MBNYWOFBSA-N 2 1 280.437 2.434 20 0 CEADMP C[N@@H+](CC1CCC2(CC1)OCCO2)C[C@H]1CCC[NH+](C)C1 ZINC000190246687 628329142 /nfs/dbraw/zinc/32/91/42/628329142.db2.gz KWJWSTKMFSGDBB-INIZCTEOSA-N 2 1 296.455 2.193 20 0 CEADMP C[NH+](CC1CCC2(CC1)OCCO2)C[C@H]1CCC[N@H+](C)C1 ZINC000190246687 628329144 /nfs/dbraw/zinc/32/91/44/628329144.db2.gz KWJWSTKMFSGDBB-INIZCTEOSA-N 2 1 296.455 2.193 20 0 CEADMP C[NH+](CC1CCC2(CC1)OCCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000190246687 628329145 /nfs/dbraw/zinc/32/91/45/628329145.db2.gz KWJWSTKMFSGDBB-INIZCTEOSA-N 2 1 296.455 2.193 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925633133 628329333 /nfs/dbraw/zinc/32/93/33/628329333.db2.gz ZMTVZMJUZYTFAZ-UONOGXRCSA-N 2 1 264.344 2.194 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000925639945 628338412 /nfs/dbraw/zinc/33/84/12/628338412.db2.gz NPBVLXAUOOWSGK-UYSNPLJNSA-N 2 1 274.408 2.464 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1N ZINC000902429947 634651503 /nfs/dbraw/zinc/65/15/03/634651503.db2.gz BODNCHAZGLAROX-NXOUGTEYSA-N 2 1 296.418 2.124 20 0 CEADMP Cc1cc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)nc(N)[nH+]1 ZINC000053573814 628385599 /nfs/dbraw/zinc/38/55/99/628385599.db2.gz QZUQFTDIQBSPNZ-HZSPNIEDSA-N 2 1 289.427 2.209 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000194012982 628495538 /nfs/dbraw/zinc/49/55/38/628495538.db2.gz WPMHPKDZEPNKQY-GJZGRUSLSA-N 2 1 252.402 2.343 20 0 CEADMP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccccc1 ZINC000925709627 628556023 /nfs/dbraw/zinc/55/60/23/628556023.db2.gz ONNRKMZJXIVWTR-LSDHHAIUSA-N 3 1 297.393 2.301 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccccn1 ZINC000925709761 628557775 /nfs/dbraw/zinc/55/77/75/628557775.db2.gz AAHBBYDCLCWVTH-HIFRSBDPSA-N 2 1 259.397 2.449 20 0 CEADMP CCCC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008763276 628568093 /nfs/dbraw/zinc/56/80/93/628568093.db2.gz ZNRCKSMOSJXZMX-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1cccc2nc(CC[NH2+][C@H]3CC[NH2+]C34CCCC4)cn21 ZINC000925714362 628570781 /nfs/dbraw/zinc/57/07/81/628570781.db2.gz XUFMCLZWDXIICJ-INIZCTEOSA-N 2 1 298.434 2.450 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000925722079 628592509 /nfs/dbraw/zinc/59/25/09/628592509.db2.gz JBUHEMHZAZRLGH-ZNMIVQPWSA-N 2 1 266.429 2.456 20 0 CEADMP C[C@@H]([NH3+])[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000925724848 628626839 /nfs/dbraw/zinc/62/68/39/628626839.db2.gz DZAHCMOIWIMNOU-XOUADPBQSA-N 3 1 261.413 2.182 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000925730170 628670424 /nfs/dbraw/zinc/67/04/24/628670424.db2.gz OEQDTVSXCLXZQD-OCCSQVGLSA-N 2 1 282.815 2.146 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCCc3cccnc3)CC[C@H]21 ZINC000931546527 628687326 /nfs/dbraw/zinc/68/73/26/628687326.db2.gz LLBIFEZDNFERBX-JKSUJKDBSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCCc3cccnc3)CC[C@H]21 ZINC000931546527 628687329 /nfs/dbraw/zinc/68/73/29/628687329.db2.gz LLBIFEZDNFERBX-JKSUJKDBSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCc3cccnc3)CC[C@H]21 ZINC000931546527 628687334 /nfs/dbraw/zinc/68/73/34/628687334.db2.gz LLBIFEZDNFERBX-JKSUJKDBSA-N 2 1 259.397 2.040 20 0 CEADMP CC1(C)CC[N@@H+](CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000902456044 634677642 /nfs/dbraw/zinc/67/76/42/634677642.db2.gz NDCCNQPMHUFJRC-HZPDHXFCSA-N 2 1 273.424 2.453 20 0 CEADMP Cc1nc(N[C@@H]2CC[NH2+]C2)cc(Nc2ccccc2)[nH+]1 ZINC000258755200 628765003 /nfs/dbraw/zinc/76/50/03/628765003.db2.gz PBIBGADRZPUEOI-CYBMUJFWSA-N 2 1 269.352 2.302 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)[C@@H]1CCC[NH2+]1 ZINC000902462682 634682142 /nfs/dbraw/zinc/68/21/42/634682142.db2.gz XKIRJDQMGHSLBE-MJBXVCDLSA-N 2 1 254.418 2.454 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000094371272 628814550 /nfs/dbraw/zinc/81/45/50/628814550.db2.gz UTFLTBDWKIFIKE-HZPDHXFCSA-N 2 1 296.455 2.035 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469616 634686995 /nfs/dbraw/zinc/68/69/95/634686995.db2.gz YSTOVIREYDHDOZ-SPWCGHHHSA-N 2 1 260.381 2.109 20 0 CEADMP C[C@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000902471967 634687417 /nfs/dbraw/zinc/68/74/17/634687417.db2.gz VUSLJQBVKHXGCO-OGCZYDBJSA-N 2 1 285.435 2.132 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000236825651 628850750 /nfs/dbraw/zinc/85/07/50/628850750.db2.gz WPEJZPOYIXNFOC-MRXNPFEDSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cnn(C2CCC2)c1 ZINC000925811094 628862514 /nfs/dbraw/zinc/86/25/14/628862514.db2.gz CBXAEHLZRDQKRU-OCCSQVGLSA-N 2 1 285.395 2.470 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cccc(OC)n1 ZINC000925814407 628869764 /nfs/dbraw/zinc/86/97/64/628869764.db2.gz LEFZCRFDYRQYAK-OLZOCXBDSA-N 2 1 286.379 2.342 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](c2ccccn2)C2CC2)C12CCC2 ZINC000925819399 628879141 /nfs/dbraw/zinc/87/91/41/628879141.db2.gz BHDUCHKPTGBFFI-RBSFLKMASA-N 2 1 257.381 2.392 20 0 CEADMP CC(C)(C)c1csc(CNCCn2ccnc2)n1 ZINC000094965599 628885655 /nfs/dbraw/zinc/88/56/55/628885655.db2.gz BAVFAPUZGKEAMQ-UHFFFAOYSA-N 2 1 264.398 2.427 20 0 CEADMP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925826566 628912908 /nfs/dbraw/zinc/91/29/08/628912908.db2.gz IBWFQZGCFISKBI-OJLVUWQFSA-N 2 1 260.381 2.104 20 0 CEADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1c[nH+]ccc1N ZINC000925831225 628925065 /nfs/dbraw/zinc/92/50/65/628925065.db2.gz IXVXKCWTSUJJTN-KCPJHIHWSA-N 2 1 261.369 2.104 20 0 CEADMP Cc1nc2c(cccc2CC[NH2+][C@@H]2CC[NH2+]C2(C)C)o1 ZINC000925838724 628938432 /nfs/dbraw/zinc/93/84/32/628938432.db2.gz NPLAMWVBHVOTEG-CQSZACIVSA-N 2 1 273.380 2.409 20 0 CEADMP Cc1cncc([C@@H](C)[NH2+]CCCCC[NH+]2CCNCC2)c1 ZINC000925847260 628951415 /nfs/dbraw/zinc/95/14/15/628951415.db2.gz QVFFZZGXXHAUCV-MRXNPFEDSA-N 2 1 290.455 2.116 20 0 CEADMP Cn1nc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925874874 628974125 /nfs/dbraw/zinc/97/41/25/628974125.db2.gz WBNFKLPCUZANKE-HRCADAONSA-N 2 1 288.439 2.308 20 0 CEADMP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc2nonc12 ZINC000821380954 634703625 /nfs/dbraw/zinc/70/36/25/634703625.db2.gz UCNDSGWALPTKIG-CQSZACIVSA-N 2 1 286.379 2.141 20 0 CEADMP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc2nonc12 ZINC000821380954 634703631 /nfs/dbraw/zinc/70/36/31/634703631.db2.gz UCNDSGWALPTKIG-CQSZACIVSA-N 2 1 286.379 2.141 20 0 CEADMP C[N@@H+](Cc1ccc2[nH]c(=O)[nH]c2c1)C[C@H]1CCC[NH+](C)C1 ZINC000893952886 629063407 /nfs/dbraw/zinc/06/34/07/629063407.db2.gz OPTTUKLNAHDNCW-ZDUSSCGKSA-N 2 1 288.395 2.042 20 0 CEADMP C[N@H+](Cc1ccc2[nH]c(=O)[nH]c2c1)C[C@H]1CCC[NH+](C)C1 ZINC000893952886 629063409 /nfs/dbraw/zinc/06/34/09/629063409.db2.gz OPTTUKLNAHDNCW-ZDUSSCGKSA-N 2 1 288.395 2.042 20 0 CEADMP C[NH+](Cc1ccc2[nH]c(=O)[nH]c2c1)C[C@H]1CCC[N@H+](C)C1 ZINC000893952886 629063414 /nfs/dbraw/zinc/06/34/14/629063414.db2.gz OPTTUKLNAHDNCW-ZDUSSCGKSA-N 2 1 288.395 2.042 20 0 CEADMP C[NH+](Cc1ccc2[nH]c(=O)[nH]c2c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000893952886 629063416 /nfs/dbraw/zinc/06/34/16/629063416.db2.gz OPTTUKLNAHDNCW-ZDUSSCGKSA-N 2 1 288.395 2.042 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000894183264 629196311 /nfs/dbraw/zinc/19/63/11/629196311.db2.gz MEJAJHOBQMUUDH-KBPBESRZSA-N 2 1 290.455 2.430 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000894241567 629248074 /nfs/dbraw/zinc/24/80/74/629248074.db2.gz JOSZIWGJDDMYBO-CQSZACIVSA-N 2 1 276.428 2.182 20 0 CEADMP Cc1ccnc(N)c1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000894241567 629248078 /nfs/dbraw/zinc/24/80/78/629248078.db2.gz JOSZIWGJDDMYBO-CQSZACIVSA-N 2 1 276.428 2.182 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261876222 629292731 /nfs/dbraw/zinc/29/27/31/629292731.db2.gz ZQZVGSVYJMRGSK-MRXNPFEDSA-N 2 1 278.396 2.183 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261876219 629292777 /nfs/dbraw/zinc/29/27/77/629292777.db2.gz ZQZVGSVYJMRGSK-INIZCTEOSA-N 2 1 278.396 2.183 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000924956905 629294630 /nfs/dbraw/zinc/29/46/30/629294630.db2.gz BXLBJNFJIJMKSL-QLPKVWCKSA-N 2 1 281.488 2.284 20 0 CEADMP CC[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000924958685 629296591 /nfs/dbraw/zinc/29/65/91/629296591.db2.gz GGNYJPYVWJSFPU-RRFJBIMHSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCSCC1 ZINC000925053085 629414160 /nfs/dbraw/zinc/41/41/60/629414160.db2.gz UXSDOJKBEUWZGJ-PBWFPOADSA-N 2 1 254.443 2.059 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000894495465 629497974 /nfs/dbraw/zinc/49/79/74/629497974.db2.gz JZLFLAOPTGSTLZ-JSGCOSHPSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000894495465 629497976 /nfs/dbraw/zinc/49/79/76/629497976.db2.gz JZLFLAOPTGSTLZ-JSGCOSHPSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)o1 ZINC000894495465 629497979 /nfs/dbraw/zinc/49/79/79/629497979.db2.gz JZLFLAOPTGSTLZ-JSGCOSHPSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)o1 ZINC000894495465 629497984 /nfs/dbraw/zinc/49/79/84/629497984.db2.gz JZLFLAOPTGSTLZ-JSGCOSHPSA-N 2 1 264.369 2.204 20 0 CEADMP COc1cccc2c1C[N@@H+](CC1CC[NH+](C)CC1)CC2 ZINC000894742280 629619081 /nfs/dbraw/zinc/61/90/81/629619081.db2.gz BOPWZTIPIVWPLZ-UHFFFAOYSA-N 2 1 274.408 2.395 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CO[C@H](C)[C@H]2C)[C@H](C)C1 ZINC000925079833 629640623 /nfs/dbraw/zinc/64/06/23/629640623.db2.gz ZQBBKOZMVAIDNU-OVYGPGRDSA-N 2 1 298.471 2.136 20 0 CEADMP Cc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cnc1F ZINC000894861039 629698042 /nfs/dbraw/zinc/69/80/42/629698042.db2.gz OASKYUKYUSSRQK-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP C[N@H+](CC[NH2+]CC1CCC2(CC1)OCCO2)C1CCCC1 ZINC000795922150 629713752 /nfs/dbraw/zinc/71/37/52/629713752.db2.gz OZUCGPNYKRNKFZ-UHFFFAOYSA-N 2 1 296.455 2.384 20 0 CEADMP C[N@@H+](CC[NH2+]CC1CCC2(CC1)OCCO2)C1CCCC1 ZINC000795922150 629713757 /nfs/dbraw/zinc/71/37/57/629713757.db2.gz OZUCGPNYKRNKFZ-UHFFFAOYSA-N 2 1 296.455 2.384 20 0 CEADMP Cc1[nH+]ccn1CCNc1cc[nH+]cc1C(F)(F)F ZINC000895115072 629915648 /nfs/dbraw/zinc/91/56/48/629915648.db2.gz LWZZXSLICDDSSC-UHFFFAOYSA-N 2 1 270.258 2.139 20 0 CEADMP C[NH+]1CCC(C[N@H+](CC(=O)OC(C)(C)C)CC2CC2)CC1 ZINC000895155661 629971750 /nfs/dbraw/zinc/97/17/50/629971750.db2.gz HJGRVMXMMFYESC-UHFFFAOYSA-N 2 1 296.455 2.382 20 0 CEADMP Cc1ncc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000796840045 630031022 /nfs/dbraw/zinc/03/10/22/630031022.db2.gz VHJNUDQPWAGQCX-ZNMIVQPWSA-N 2 1 279.453 2.456 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC1(C)C ZINC000895205803 630034045 /nfs/dbraw/zinc/03/40/45/630034045.db2.gz HMJJDGFGXWNHNH-CQSZACIVSA-N 2 1 299.418 2.491 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC1(C)C ZINC000895205803 630034046 /nfs/dbraw/zinc/03/40/46/630034046.db2.gz HMJJDGFGXWNHNH-CQSZACIVSA-N 2 1 299.418 2.491 20 0 CEADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnn2c1CCC2 ZINC000895381628 630152645 /nfs/dbraw/zinc/15/26/45/630152645.db2.gz VCIZCNHSVPZRKJ-ZBFHGGJFSA-N 2 1 290.455 2.382 20 0 CEADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnn2c1CCC2 ZINC000895381628 630152647 /nfs/dbraw/zinc/15/26/47/630152647.db2.gz VCIZCNHSVPZRKJ-ZBFHGGJFSA-N 2 1 290.455 2.382 20 0 CEADMP COCCOc1ccc(CNC[C@@H]2CCCC[N@@H+](C)C2)o1 ZINC000895586990 630262176 /nfs/dbraw/zinc/26/21/76/630262176.db2.gz DMPLEXPWEGDJSO-AWEZNQCLSA-N 2 1 296.411 2.126 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)CC1 ZINC000895845547 630368816 /nfs/dbraw/zinc/36/88/16/630368816.db2.gz WSSAOWQOPPZPRG-KBPBESRZSA-N 2 1 254.443 2.013 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C2CCCCC2)CC[N@H+]1C ZINC000896445767 630567946 /nfs/dbraw/zinc/56/79/46/630567946.db2.gz VBXKMPFXAAAXMQ-JKSUJKDBSA-N 2 1 295.471 2.145 20 0 CEADMP CCO[C@H](C[NH2+]C[C@H](OC)C1CCCCC1)C[NH+](C)C ZINC000896878634 630698801 /nfs/dbraw/zinc/69/88/01/630698801.db2.gz SCXCOESVGFSONF-CVEARBPZSA-N 2 1 286.460 2.138 20 0 CEADMP CCO[C@H](C[NH2+]C[C@@H]1CCc2ccccc21)C[NH+](C)C ZINC000896880562 630699619 /nfs/dbraw/zinc/69/96/19/630699619.db2.gz XBSPVJQQCWHODF-JKSUJKDBSA-N 2 1 276.424 2.273 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCc3cccnc3)C2)CC1 ZINC000799178776 630991645 /nfs/dbraw/zinc/99/16/45/630991645.db2.gz JVSHZKKFRMZHNX-UHFFFAOYSA-N 2 1 273.424 2.432 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000799175058 630991788 /nfs/dbraw/zinc/99/17/88/630991788.db2.gz RRORLNORVYKQKV-KRWDZBQOSA-N 2 1 276.424 2.446 20 0 CEADMP Cc1ccc([C@@H](O)C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000799175058 630991791 /nfs/dbraw/zinc/99/17/91/630991791.db2.gz RRORLNORVYKQKV-KRWDZBQOSA-N 2 1 276.424 2.446 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2ccccn2)C1 ZINC000799196549 630996321 /nfs/dbraw/zinc/99/63/21/630996321.db2.gz TVILBWKAUDILTQ-HUUCEWRRSA-N 2 1 259.397 2.355 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799196549 630996323 /nfs/dbraw/zinc/99/63/23/630996323.db2.gz TVILBWKAUDILTQ-HUUCEWRRSA-N 2 1 259.397 2.355 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799196549 630996326 /nfs/dbraw/zinc/99/63/26/630996326.db2.gz TVILBWKAUDILTQ-HUUCEWRRSA-N 2 1 259.397 2.355 20 0 CEADMP Cc1[nH+]ccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1Cl ZINC000897222578 630998831 /nfs/dbraw/zinc/99/88/31/630998831.db2.gz WBBVMOIBHHHWOG-OLZOCXBDSA-N 2 1 295.814 2.079 20 0 CEADMP CC[NH+](CC)CC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904337195 635563462 /nfs/dbraw/zinc/56/34/62/635563462.db2.gz QLQUBMFFRBPYBS-QGZVFWFLSA-N 2 1 281.488 2.430 20 0 CEADMP Cc1ccccc1[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904321688 635567538 /nfs/dbraw/zinc/56/75/38/635567538.db2.gz BVSXRSWELIJUHG-IJEWVQPXSA-N 2 1 260.381 2.106 20 0 CEADMP Cc1ccccc1[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904321689 635567794 /nfs/dbraw/zinc/56/77/94/635567794.db2.gz BVSXRSWELIJUHG-LZWOXQAQSA-N 2 1 260.381 2.106 20 0 CEADMP CCC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000904322342 635569280 /nfs/dbraw/zinc/56/92/80/635569280.db2.gz ARVOBIFMLKUWMK-XPABHHOTSA-N 2 1 266.429 2.249 20 0 CEADMP FC(F)C1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000799717449 631068612 /nfs/dbraw/zinc/06/86/12/631068612.db2.gz FWCBQJDCFPJAEV-HOAMVYINSA-N 2 1 288.382 2.263 20 0 CEADMP FC(F)C1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000799717449 631068616 /nfs/dbraw/zinc/06/86/16/631068616.db2.gz FWCBQJDCFPJAEV-HOAMVYINSA-N 2 1 288.382 2.263 20 0 CEADMP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000800969525 631155618 /nfs/dbraw/zinc/15/56/18/631155618.db2.gz JQEPCVNMAZNFPF-FZKCQIBNSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000800969525 631155621 /nfs/dbraw/zinc/15/56/21/631155621.db2.gz JQEPCVNMAZNFPF-FZKCQIBNSA-N 2 1 264.413 2.018 20 0 CEADMP CCC[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000985801975 631183995 /nfs/dbraw/zinc/18/39/95/631183995.db2.gz LHHFGGKVFQDMSF-HUUCEWRRSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)C(C)C)C1 ZINC000808732372 631305528 /nfs/dbraw/zinc/30/55/28/631305528.db2.gz FAIUJIJSFINGIM-OAHLLOKOSA-N 2 1 284.444 2.034 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCCCCCC1 ZINC000321469062 631402041 /nfs/dbraw/zinc/40/20/41/631402041.db2.gz AAQWHLVDQCZBAB-HNNXBMFYSA-N 2 1 256.434 2.344 20 0 CEADMP C[C@H](CNC(=O)CCCCCC[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000237401348 631663678 /nfs/dbraw/zinc/66/36/78/631663678.db2.gz XYFZSMXZMAVWQA-HUUCEWRRSA-N 2 1 283.460 2.132 20 0 CEADMP C[C@H](C[NH2+]Cc1cnc([C@@H](C)O)s1)C[NH+]1CCCCC1 ZINC000809607540 632110251 /nfs/dbraw/zinc/11/02/51/632110251.db2.gz CSTDONAUTTXUGO-CHWSQXEVSA-N 2 1 297.468 2.408 20 0 CEADMP CCON1CCC([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000323103281 632283468 /nfs/dbraw/zinc/28/34/68/632283468.db2.gz DGOPBWKMNAEIQU-OAHLLOKOSA-N 2 1 283.460 2.256 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1CCOC12CCOCC2)[NH+]1CCCC1 ZINC000924630283 632361450 /nfs/dbraw/zinc/36/14/50/632361450.db2.gz AIUWVRFPQVOPED-JKSUJKDBSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C(C)(C)CO ZINC000924688984 632420133 /nfs/dbraw/zinc/42/01/33/632420133.db2.gz VYVDKYUOQUOVQB-HUUCEWRRSA-N 2 1 270.461 2.495 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)OCC[C@H]1CCCC[NH+]1C ZINC000923891765 632431290 /nfs/dbraw/zinc/43/12/90/632431290.db2.gz BMLWXUXQDGBQKC-CABCVRRESA-N 2 1 282.428 2.277 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000923891765 632431295 /nfs/dbraw/zinc/43/12/95/632431295.db2.gz BMLWXUXQDGBQKC-CABCVRRESA-N 2 1 282.428 2.277 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000923891765 632431299 /nfs/dbraw/zinc/43/12/99/632431299.db2.gz BMLWXUXQDGBQKC-CABCVRRESA-N 2 1 282.428 2.277 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)OCC[C@@H]1CCCC[NH+]1C ZINC000923891771 632431586 /nfs/dbraw/zinc/43/15/86/632431586.db2.gz BMLWXUXQDGBQKC-LSDHHAIUSA-N 2 1 282.428 2.277 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000923891771 632431593 /nfs/dbraw/zinc/43/15/93/632431593.db2.gz BMLWXUXQDGBQKC-LSDHHAIUSA-N 2 1 282.428 2.277 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000923891771 632431599 /nfs/dbraw/zinc/43/15/99/632431599.db2.gz BMLWXUXQDGBQKC-LSDHHAIUSA-N 2 1 282.428 2.277 20 0 CEADMP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2)n1 ZINC000927047806 632435671 /nfs/dbraw/zinc/43/56/71/632435671.db2.gz IPKKNPNQALBLEC-YIYPIFLZSA-N 2 1 292.427 2.340 20 0 CEADMP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)n1 ZINC000927047806 632435674 /nfs/dbraw/zinc/43/56/74/632435674.db2.gz IPKKNPNQALBLEC-YIYPIFLZSA-N 2 1 292.427 2.340 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000924730793 632472701 /nfs/dbraw/zinc/47/27/01/632472701.db2.gz GUCVWQHWQXTCTB-XFDYKOMQSA-N 2 1 294.826 2.303 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](CC(=O)OC)C2)[C@@H](C)C1 ZINC000898481076 632513438 /nfs/dbraw/zinc/51/34/38/632513438.db2.gz LTTFZRDASPSLPA-XQLPTFJDSA-N 2 1 282.428 2.038 20 0 CEADMP C[C@H](NC(=[NH2+])NCC[N@H+]1CCCC(C)(C)C1)C1CC1 ZINC000899271664 632768938 /nfs/dbraw/zinc/76/89/38/632768938.db2.gz JTMNYEOYSOYHAY-LBPRGKRZSA-N 2 1 266.433 2.021 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnn(C)c1Cl ZINC000815127061 632965356 /nfs/dbraw/zinc/96/53/56/632965356.db2.gz KKIHPZKSVZNZKQ-UHFFFAOYSA-N 2 1 281.791 2.148 20 0 CEADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CCCCC1 ZINC000900198045 633582351 /nfs/dbraw/zinc/58/23/51/633582351.db2.gz QFNZBQQTZNHDNY-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCOC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000817880363 633750537 /nfs/dbraw/zinc/75/05/37/633750537.db2.gz QIKJQFCIODQBEN-RDBSUJKOSA-N 2 1 270.417 2.025 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(CN[C@@H](C)[C@H]2CCCC[NH2+]2)cn1 ZINC000817889163 633752820 /nfs/dbraw/zinc/75/28/20/633752820.db2.gz NEYWWQFIPLJXSN-XJKSGUPXSA-N 2 1 299.422 2.196 20 0 CEADMP O[C@@H](C[NH2+]C1CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000817905500 633764780 /nfs/dbraw/zinc/76/47/80/633764780.db2.gz IVVRMKDNBGNKSV-LBPRGKRZSA-N 2 1 289.206 2.368 20 0 CEADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000817906067 633766109 /nfs/dbraw/zinc/76/61/09/633766109.db2.gz XJCOYRIWVVNCCK-VDERGJSUSA-N 2 1 262.397 2.229 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[N@H+]1CCC[C@H]1C ZINC000817912963 633771338 /nfs/dbraw/zinc/77/13/38/633771338.db2.gz LDGWORGNZMYZHN-OAGGEKHMSA-N 2 1 267.461 2.371 20 0 CEADMP CC[C@H]([NH2+]C[C@@](C)(O)c1cccs1)[C@@H]1CCC[NH2+]1 ZINC000817914705 633773824 /nfs/dbraw/zinc/77/38/24/633773824.db2.gz XVOJXWALZXYHSK-SGMGOOAPSA-N 2 1 268.426 2.076 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817922750 633779978 /nfs/dbraw/zinc/77/99/78/633779978.db2.gz LIIDHXHVJDXNBP-FQXVJMBOSA-N 2 1 288.435 2.404 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000817940923 633789732 /nfs/dbraw/zinc/78/97/32/633789732.db2.gz PEMOIHBSQISQBD-VIFPVBQESA-N 2 1 272.190 2.104 20 0 CEADMP CC[NH+](CC)CCCCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000900688234 633809258 /nfs/dbraw/zinc/80/92/58/633809258.db2.gz FEUNOFGBQQNHJV-CQSZACIVSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccnc(Cl)c1 ZINC000817970701 633814005 /nfs/dbraw/zinc/81/40/05/633814005.db2.gz CMNVWTLFBQBADZ-JFGNBEQYSA-N 2 1 253.777 2.384 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000818963363 634018802 /nfs/dbraw/zinc/01/88/02/634018802.db2.gz QZBIQFASVRONSF-ZMSDIMECSA-N 2 1 292.398 2.384 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000818981437 634028150 /nfs/dbraw/zinc/02/81/50/634028150.db2.gz UEAXOCMRCKUELD-LRDDRELGSA-N 2 1 298.377 2.320 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000819363749 634155002 /nfs/dbraw/zinc/15/50/02/634155002.db2.gz ZBEHZTGGSRNHCG-QGZVFWFLSA-N 2 1 276.424 2.492 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902790832 634834549 /nfs/dbraw/zinc/83/45/49/634834549.db2.gz SDUOWFPTGVXXDS-HIFUNWJGSA-N 2 1 266.429 2.120 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902790832 634834552 /nfs/dbraw/zinc/83/45/52/634834552.db2.gz SDUOWFPTGVXXDS-HIFUNWJGSA-N 2 1 266.429 2.120 20 0 CEADMP CCO[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000902973616 634924790 /nfs/dbraw/zinc/92/47/90/634924790.db2.gz VGRZMMGJIYIDAF-BRWVUGGUSA-N 2 1 298.471 2.425 20 0 CEADMP CCO[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000902973616 634924795 /nfs/dbraw/zinc/92/47/95/634924795.db2.gz VGRZMMGJIYIDAF-BRWVUGGUSA-N 2 1 298.471 2.425 20 0 CEADMP C[C@H](Cn1ccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903064947 634952842 /nfs/dbraw/zinc/95/28/42/634952842.db2.gz FGTVAHBQRSASPR-WPXLMEDKSA-N 2 1 274.412 2.019 20 0 CEADMP COC[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903078510 634959803 /nfs/dbraw/zinc/95/98/03/634959803.db2.gz IAXDFIBFGSJSBD-YPRXJGMQSA-N 2 1 252.402 2.016 20 0 CEADMP COCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903069303 634965247 /nfs/dbraw/zinc/96/52/47/634965247.db2.gz UVPZFUSXZNYOKV-LQDVMPOASA-N 2 1 252.402 2.160 20 0 CEADMP OCC[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903154844 634991657 /nfs/dbraw/zinc/99/16/57/634991657.db2.gz VTKUTGGUXQJYKH-SMMMKCNCSA-N 2 1 278.440 2.285 20 0 CEADMP OCC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903192898 635004497 /nfs/dbraw/zinc/00/44/97/635004497.db2.gz AZYMFBRJOLJMNP-VHRNVKJDSA-N 2 1 278.440 2.287 20 0 CEADMP FC1(F)C[C@H]1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903200729 635010265 /nfs/dbraw/zinc/01/02/65/635010265.db2.gz SQNYKAGDSIQWEC-ZHDCTAKOSA-N 2 1 286.366 2.158 20 0 CEADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903211396 635017895 /nfs/dbraw/zinc/01/78/95/635017895.db2.gz BYZVUCVCBKKXIW-WDVRLDOZSA-N 2 1 286.423 2.465 20 0 CEADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903211396 635017899 /nfs/dbraw/zinc/01/78/99/635017899.db2.gz BYZVUCVCBKKXIW-WDVRLDOZSA-N 2 1 286.423 2.465 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]23C[C@H]2COC32CCC2)[C@@H]2CCC[C@@H]21 ZINC000903364199 635085984 /nfs/dbraw/zinc/08/59/84/635085984.db2.gz VUCKEJXVNCSFTI-QUSNUVHPSA-N 2 1 290.451 2.408 20 0 CEADMP CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425923 635112388 /nfs/dbraw/zinc/11/23/88/635112388.db2.gz APONASPKWXPLJT-OCCSQVGLSA-N 2 1 276.380 2.365 20 0 CEADMP C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903426784 635112566 /nfs/dbraw/zinc/11/25/66/635112566.db2.gz NMNYRVNANFUPPU-NEPJUHHUSA-N 2 1 295.814 2.338 20 0 CEADMP Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)c1C ZINC000903425943 635112762 /nfs/dbraw/zinc/11/27/62/635112762.db2.gz BJUAOQFEJPHQEU-CABCVRRESA-N 2 1 289.423 2.301 20 0 CEADMP COc1ccccc1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903434520 635115525 /nfs/dbraw/zinc/11/55/25/635115525.db2.gz HBGZOIBWRACIRQ-HIFRSBDPSA-N 2 1 262.397 2.025 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903459041 635125179 /nfs/dbraw/zinc/12/51/79/635125179.db2.gz QOTNJPRIPUJTOE-IJEWVQPXSA-N 2 1 282.428 2.025 20 0 CEADMP C[C@H](c1ncccn1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000903463851 635127152 /nfs/dbraw/zinc/12/71/52/635127152.db2.gz POYVDTIMOWIYCI-HIFRSBDPSA-N 2 1 274.412 2.249 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOC2CCSCC2)[C@@H]2CCC[C@H]21 ZINC000903445886 635131768 /nfs/dbraw/zinc/13/17/68/635131768.db2.gz LLEMTWRHPGQVGQ-HRCADAONSA-N 2 1 298.496 2.361 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1(c2nccs2)CCCC1 ZINC000903446626 635131858 /nfs/dbraw/zinc/13/18/58/635131858.db2.gz YPWZNBFKHOLEHU-NEPJUHHUSA-N 2 1 265.426 2.358 20 0 CEADMP C[C@H](c1ncccn1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000903453580 635136945 /nfs/dbraw/zinc/13/69/45/635136945.db2.gz CNTOGAQNJJHKIU-KFWWJZLASA-N 2 1 274.412 2.249 20 0 CEADMP CCOC(=O)C1([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)CCCCC1 ZINC000903457375 635140527 /nfs/dbraw/zinc/14/05/27/635140527.db2.gz RJBKVFRWHTZXDE-KGLIPLIRSA-N 2 1 282.428 2.312 20 0 CEADMP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCC2(CCC2)CO1 ZINC000903471797 635142670 /nfs/dbraw/zinc/14/26/70/635142670.db2.gz MSKHRKZQXLAXGM-UONOGXRCSA-N 2 1 264.413 2.210 20 0 CEADMP CC1(C)CCC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)O1 ZINC000903472672 635143120 /nfs/dbraw/zinc/14/31/20/635143120.db2.gz UNFZBHSQLNQJAE-QWHCGFSZSA-N 2 1 252.402 2.208 20 0 CEADMP CC1(C)CO[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000903482099 635149275 /nfs/dbraw/zinc/14/92/75/635149275.db2.gz XHVYIWLGWFOUFP-QWHCGFSZSA-N 2 1 252.402 2.066 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@@H]1CC[C@H](C2CC2)O1 ZINC000903482036 635149708 /nfs/dbraw/zinc/14/97/08/635149708.db2.gz VAEOEFRXYIRXTL-ZNMIVQPWSA-N 2 1 264.413 2.208 20 0 CEADMP CN(CC[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000903483496 635150677 /nfs/dbraw/zinc/15/06/77/635150677.db2.gz HYRAYTDUXCMQAS-INIZCTEOSA-N 2 1 273.424 2.387 20 0 CEADMP CO[C@@H](C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)C1CCCCC1 ZINC000903498501 635154136 /nfs/dbraw/zinc/15/41/36/635154136.db2.gz IXDMHQCAQYOXSM-BMFZPTHFSA-N 2 1 268.445 2.498 20 0 CEADMP FC1(F)C[C@@]2(CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)C1(F)F ZINC000903490652 635156180 /nfs/dbraw/zinc/15/61/80/635156180.db2.gz BUORPXWNUSDFHK-GHMZBOCLSA-N 2 1 280.309 2.352 20 0 CEADMP [NH3+]CCCCCC[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000903490702 635156346 /nfs/dbraw/zinc/15/63/46/635156346.db2.gz FCKJCNXTFXXUIE-MSOLQXFVSA-N 2 1 288.435 2.406 20 0 CEADMP Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1C ZINC000903495167 635157836 /nfs/dbraw/zinc/15/78/36/635157836.db2.gz YBXAMDHQLIJKNJ-UKRRQHHQSA-N 2 1 289.423 2.159 20 0 CEADMP CO[C@@H](C[N@@H+]1C[C@H](N)C(C)(C)C1)C1CCCCC1 ZINC000903559881 635162919 /nfs/dbraw/zinc/16/29/19/635162919.db2.gz LHLLQMDZOCOWOL-KBPBESRZSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@@H](C[N@H+]1C[C@H](N)C(C)(C)C1)C1CCCCC1 ZINC000903559881 635162925 /nfs/dbraw/zinc/16/29/25/635162925.db2.gz LHLLQMDZOCOWOL-KBPBESRZSA-N 2 1 254.418 2.251 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903716791 635230649 /nfs/dbraw/zinc/23/06/49/635230649.db2.gz SAXDWQFRELFWDU-TUAOUCFPSA-N 2 1 280.334 2.028 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903716791 635230651 /nfs/dbraw/zinc/23/06/51/635230651.db2.gz SAXDWQFRELFWDU-TUAOUCFPSA-N 2 1 280.334 2.028 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903716417 635231276 /nfs/dbraw/zinc/23/12/76/635231276.db2.gz MPGVZHHLYKYIMR-NSHDSACASA-N 2 1 286.778 2.399 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903716417 635231281 /nfs/dbraw/zinc/23/12/81/635231281.db2.gz MPGVZHHLYKYIMR-NSHDSACASA-N 2 1 286.778 2.399 20 0 CEADMP FC(F)(F)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903717930 635231941 /nfs/dbraw/zinc/23/19/41/635231941.db2.gz GAWLOLNAQIJZOM-JHJVBQTASA-N 2 1 292.345 2.029 20 0 CEADMP CC[N@H+](Cc1cccs1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719404 635233519 /nfs/dbraw/zinc/23/35/19/635233519.db2.gz ZJQGDVBLGFRXHM-DZGCQCFKSA-N 2 1 280.437 2.339 20 0 CEADMP CCC[C@H](C)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903721483 635234887 /nfs/dbraw/zinc/23/48/87/635234887.db2.gz BEXYQAUKRHWHNF-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[N@@H+](CC1CC1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903721916 635234974 /nfs/dbraw/zinc/23/49/74/635234974.db2.gz GDPCTBPBCPHOJM-HNNXBMFYSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722424 635236259 /nfs/dbraw/zinc/23/62/59/635236259.db2.gz AOCNRHGKAGNJPA-XHSDSOJGSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[C@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723558 635237487 /nfs/dbraw/zinc/23/74/87/635237487.db2.gz ILQUHDRHXMVREM-LSDHHAIUSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)CC[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724957 635238721 /nfs/dbraw/zinc/23/87/21/635238721.db2.gz TTXCSPIKFKJLDY-CQSZACIVSA-N 2 1 254.418 2.123 20 0 CEADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@H]1C1CCC1 ZINC000903727754 635239514 /nfs/dbraw/zinc/23/95/14/635239514.db2.gz XDKVDSFZWCEHQE-CVEARBPZSA-N 2 1 278.440 2.410 20 0 CEADMP C[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728456 635241195 /nfs/dbraw/zinc/24/11/95/635241195.db2.gz BVOBTJYSKLEHNR-UWWQBHOKSA-N 2 1 286.419 2.374 20 0 CEADMP CSCC[C@H](C)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903731762 635241876 /nfs/dbraw/zinc/24/18/76/635241876.db2.gz CNDPYYXZBHUNMS-KBPBESRZSA-N 2 1 286.485 2.219 20 0 CEADMP CC[C@]1(C)CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903730131 635242076 /nfs/dbraw/zinc/24/20/76/635242076.db2.gz UKFPEKRTDDEQLC-OAGGEKHMSA-N 2 1 266.429 2.267 20 0 CEADMP Fc1c(CNC[C@@H]2CC[N@H+](C3CC3)C2)ccnc1Cl ZINC000823649450 635242013 /nfs/dbraw/zinc/24/20/13/635242013.db2.gz MBDARCXNWYCQRK-JTQLQIEISA-N 2 1 283.778 2.448 20 0 CEADMP [NH3+]C1CC[NH+](CCOc2ccc(F)c(Cl)c2)CC1 ZINC000903713006 635244823 /nfs/dbraw/zinc/24/48/23/635244823.db2.gz DBSVNSVBQJBTMU-UHFFFAOYSA-N 2 1 272.751 2.281 20 0 CEADMP C[N@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@@H](CN)C1CC1 ZINC000903749400 635247389 /nfs/dbraw/zinc/24/73/89/635247389.db2.gz KQGIAPUNYGXMKF-SDDRHHMPSA-N 2 1 280.334 2.156 20 0 CEADMP C[N@@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@@H](CN)C1CC1 ZINC000903749400 635247393 /nfs/dbraw/zinc/24/73/93/635247393.db2.gz KQGIAPUNYGXMKF-SDDRHHMPSA-N 2 1 280.334 2.156 20 0 CEADMP C[N@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@@H](C[NH3+])C1CC1 ZINC000903749400 635247399 /nfs/dbraw/zinc/24/73/99/635247399.db2.gz KQGIAPUNYGXMKF-SDDRHHMPSA-N 2 1 280.334 2.156 20 0 CEADMP C[N@@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@@H](C[NH3+])C1CC1 ZINC000903749400 635247407 /nfs/dbraw/zinc/24/74/07/635247407.db2.gz KQGIAPUNYGXMKF-SDDRHHMPSA-N 2 1 280.334 2.156 20 0 CEADMP c1ccc(C[N@@H+](C[C@H]2CCCC[NH2+]C2)C2CC2)nc1 ZINC000903751101 635248144 /nfs/dbraw/zinc/24/81/44/635248144.db2.gz AJWQTFMIYDXHAA-AWEZNQCLSA-N 2 1 259.397 2.436 20 0 CEADMP c1ccc(C[N@H+](C[C@H]2CCCC[NH2+]C2)C2CC2)nc1 ZINC000903751101 635248148 /nfs/dbraw/zinc/24/81/48/635248148.db2.gz AJWQTFMIYDXHAA-AWEZNQCLSA-N 2 1 259.397 2.436 20 0 CEADMP c1ccc([C@@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)nc1 ZINC000903751520 635248776 /nfs/dbraw/zinc/24/87/76/635248776.db2.gz GBKFQUAVGNGVEL-HUUCEWRRSA-N 2 1 259.397 2.261 20 0 CEADMP C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)OC1CCSCC1 ZINC000903753026 635249245 /nfs/dbraw/zinc/24/92/45/635249245.db2.gz YKGOIQJTTSKZEP-HOCLYGCPSA-N 2 1 298.496 2.363 20 0 CEADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903733712 635249974 /nfs/dbraw/zinc/24/99/74/635249974.db2.gz MTEJYSBTKXBNOF-ZJIFWQFVSA-N 2 1 298.496 2.361 20 0 CEADMP CC[C@]1(C)CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903734494 635250499 /nfs/dbraw/zinc/25/04/99/635250499.db2.gz RNMUQJNEZKMKHJ-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCCC2(CC2)CC1 ZINC000903776825 635264594 /nfs/dbraw/zinc/26/45/94/635264594.db2.gz WPBNCJUCFWADOL-GOEBONIOSA-N 2 1 264.413 2.021 20 0 CEADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCOC[C@H]2CCCO2)CCC1 ZINC000903815644 635272663 /nfs/dbraw/zinc/27/26/63/635272663.db2.gz SKUUSXGJIUVFMQ-CVEARBPZSA-N 2 1 296.455 2.166 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903811010 635285328 /nfs/dbraw/zinc/28/53/28/635285328.db2.gz IUYIFKOCNPQCHX-CQSZACIVSA-N 2 1 282.428 2.312 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)on1 ZINC000903813003 635286137 /nfs/dbraw/zinc/28/61/37/635286137.db2.gz WZVBAXAHBAQFRJ-CQSZACIVSA-N 2 1 263.385 2.467 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)on1 ZINC000903813003 635286140 /nfs/dbraw/zinc/28/61/40/635286140.db2.gz WZVBAXAHBAQFRJ-CQSZACIVSA-N 2 1 263.385 2.467 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)C1 ZINC000903812984 635286343 /nfs/dbraw/zinc/28/63/43/635286343.db2.gz WRUCUIQQUAHSEC-ZNMIVQPWSA-N 2 1 266.429 2.395 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000903824988 635292590 /nfs/dbraw/zinc/29/25/90/635292590.db2.gz WSBDXCDRJXTAAW-JKSUJKDBSA-N 2 1 284.444 2.166 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000903825343 635293963 /nfs/dbraw/zinc/29/39/63/635293963.db2.gz ZKBNCZPWFSSOHO-DLBZAZTESA-N 2 1 296.455 2.036 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C(F)(F)F)cn1)C2 ZINC000903841262 635299553 /nfs/dbraw/zinc/29/95/53/635299553.db2.gz COYZMEMWRXGBMY-GAFUQQFSSA-N 2 1 285.313 2.412 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOc1ccc(F)cc1)C2 ZINC000903850690 635304145 /nfs/dbraw/zinc/30/41/45/635304145.db2.gz XKMAVFRJVTWKEZ-YUTCNCBUSA-N 2 1 264.344 2.016 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]3CC[C@@]32C[NH3+])c1C ZINC000903858812 635310095 /nfs/dbraw/zinc/31/00/95/635310095.db2.gz ZSVSWNOAPZTNKT-CZUORRHYSA-N 2 1 275.396 2.020 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3CC[C@]32C[NH3+])c1C ZINC000903858810 635311049 /nfs/dbraw/zinc/31/10/49/635311049.db2.gz ZSVSWNOAPZTNKT-BBRMVZONSA-N 2 1 275.396 2.020 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CCC[C@]23CC[NH2+]C3)C(C)(C)O1 ZINC000903869311 635317891 /nfs/dbraw/zinc/31/78/91/635317891.db2.gz GWJSUPKKUDJFHI-CZUORRHYSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+](Cc1cccc(O)c1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873957 635320968 /nfs/dbraw/zinc/32/09/68/635320968.db2.gz OVMPYEKFYFFLMR-GOOCMWNKSA-N 2 1 260.381 2.355 20 0 CEADMP Cc1ccc(C[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903873826 635321228 /nfs/dbraw/zinc/32/12/28/635321228.db2.gz YREMWLXGGOZKKY-MRXNPFEDSA-N 2 1 299.422 2.143 20 0 CEADMP Cc1ccc(C[N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903873826 635321235 /nfs/dbraw/zinc/32/12/35/635321235.db2.gz YREMWLXGGOZKKY-MRXNPFEDSA-N 2 1 299.422 2.143 20 0 CEADMP CC[C@H]1CCCC[N@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903872107 635321621 /nfs/dbraw/zinc/32/16/21/635321621.db2.gz DAUAUSVCQLYQLV-HOCLYGCPSA-N 2 1 278.444 2.110 20 0 CEADMP CCC[C@@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903897990 635333551 /nfs/dbraw/zinc/33/35/51/635333551.db2.gz KXJURVDNVIJSFF-CABCVRRESA-N 2 1 291.443 2.215 20 0 CEADMP CC[C@@H](C)C[N@@H+](CC)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899862 635335361 /nfs/dbraw/zinc/33/53/61/635335361.db2.gz XUOMMZQRRYJWGM-HIFRSBDPSA-N 2 1 280.460 2.214 20 0 CEADMP CC1([NH2+]C[C@@H]([NH3+])CC(F)F)Cc2ccccc2C1 ZINC000903903559 635339372 /nfs/dbraw/zinc/33/93/72/635339372.db2.gz VPCGVKBKDVUCEB-LBPRGKRZSA-N 2 1 254.324 2.116 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903923045 635351233 /nfs/dbraw/zinc/35/12/33/635351233.db2.gz KERZEYCLSDUMPA-LBPRGKRZSA-N 2 1 260.303 2.249 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000903930250 635357406 /nfs/dbraw/zinc/35/74/06/635357406.db2.gz VUWFHGLVKYCVNS-HZAFXNSLSA-N 2 1 278.440 2.408 20 0 CEADMP c1cncc([C@@H]2CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000903932214 635357895 /nfs/dbraw/zinc/35/78/95/635357895.db2.gz OYMSTENZCYPRTG-ZCJOQKPTSA-N 2 1 271.408 2.402 20 0 CEADMP c1nc2ccccn2c1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960205 635369605 /nfs/dbraw/zinc/36/96/05/635369605.db2.gz YWYVDIRTJBCSCK-QGZVFWFLSA-N 2 1 284.407 2.300 20 0 CEADMP c1nc2ccccn2c1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960205 635369609 /nfs/dbraw/zinc/36/96/09/635369609.db2.gz YWYVDIRTJBCSCK-QGZVFWFLSA-N 2 1 284.407 2.300 20 0 CEADMP Fc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955098 635388960 /nfs/dbraw/zinc/38/89/60/635388960.db2.gz KTOZYYRXDLELQR-NSHDSACASA-N 2 1 258.287 2.160 20 0 CEADMP CC1(C)CC[C@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000903974710 635392684 /nfs/dbraw/zinc/39/26/84/635392684.db2.gz WPBQRFWJMSVBBS-KBPBESRZSA-N 2 1 266.429 2.313 20 0 CEADMP CC1(C)CC[C@@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000903974711 635393126 /nfs/dbraw/zinc/39/31/26/635393126.db2.gz WPBQRFWJMSVBBS-KGLIPLIRSA-N 2 1 266.429 2.313 20 0 CEADMP COc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1C ZINC000903978173 635394345 /nfs/dbraw/zinc/39/43/45/635394345.db2.gz IJLSAFQFPHYODC-UKRRQHHQSA-N 2 1 262.397 2.420 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000904298188 635552394 /nfs/dbraw/zinc/55/23/94/635552394.db2.gz UHMNKYNYUSEIEZ-IAGOWNOFSA-N 3 1 273.424 2.109 20 0 CEADMP [NH3+]Cc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000904298188 635552397 /nfs/dbraw/zinc/55/23/97/635552397.db2.gz UHMNKYNYUSEIEZ-IAGOWNOFSA-N 2 1 273.424 2.109 20 0 CEADMP COc1cc(C[N@H+](C)C[C@]2(C)CCC[NH2+]C2)ccc1O ZINC000904307577 635558360 /nfs/dbraw/zinc/55/83/60/635558360.db2.gz RMFLLLGXPDPMMY-MRXNPFEDSA-N 2 1 278.396 2.222 20 0 CEADMP COc1cc(C[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)ccc1O ZINC000904307577 635558363 /nfs/dbraw/zinc/55/83/63/635558363.db2.gz RMFLLLGXPDPMMY-MRXNPFEDSA-N 2 1 278.396 2.222 20 0 CEADMP COc1ccc(C[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1O ZINC000904311767 635560043 /nfs/dbraw/zinc/56/00/43/635560043.db2.gz BOPDEOHWBZQZOR-INIZCTEOSA-N 2 1 278.396 2.222 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1O ZINC000904311767 635560047 /nfs/dbraw/zinc/56/00/47/635560047.db2.gz BOPDEOHWBZQZOR-INIZCTEOSA-N 2 1 278.396 2.222 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904326606 635572004 /nfs/dbraw/zinc/57/20/04/635572004.db2.gz NTZTXWAJDVFNCJ-GDBMZVCRSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904326606 635572010 /nfs/dbraw/zinc/57/20/10/635572010.db2.gz NTZTXWAJDVFNCJ-GDBMZVCRSA-N 2 1 276.428 2.119 20 0 CEADMP C[C@@]1(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)CCC[NH2+]C1 ZINC000904326496 635572026 /nfs/dbraw/zinc/57/20/26/635572026.db2.gz KUVYVLLLXSFJKQ-CHWSQXEVSA-N 2 1 294.361 2.011 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)CCC[NH2+]C1 ZINC000904341988 635580302 /nfs/dbraw/zinc/58/03/02/635580302.db2.gz TVXJCALUVYZNML-DLBZAZTESA-N 2 1 273.424 2.336 20 0 CEADMP CCc1ccc([C@H]2C[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)CCO2)cc1 ZINC000904345148 635581769 /nfs/dbraw/zinc/58/17/69/635581769.db2.gz DKJXCRQHPILZHK-HYVNUMGLSA-N 2 1 274.408 2.360 20 0 CEADMP C[C@]1(C[N@H+]2CCOCC3(CCCC3)C2)CCC[NH2+]C1 ZINC000904346116 635581979 /nfs/dbraw/zinc/58/19/79/635581979.db2.gz OZOFPZLKETYCMW-HNNXBMFYSA-N 2 1 266.429 2.269 20 0 CEADMP c1cn(C2CC2)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000904350900 635584272 /nfs/dbraw/zinc/58/42/72/635584272.db2.gz SBGYVFNDOQZDJO-HUUCEWRRSA-N 2 1 288.439 2.430 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(C(=O)OC)c(C)c1 ZINC000904350115 635584472 /nfs/dbraw/zinc/58/44/72/635584472.db2.gz IKNWMDWTHSSVLM-AWEZNQCLSA-N 2 1 278.396 2.389 20 0 CEADMP [NH3+]Cc1ccc(CNC[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000904355731 635587630 /nfs/dbraw/zinc/58/76/30/635587630.db2.gz QWXZDIBGQQMLJB-GOSISDBHSA-N 2 1 281.403 2.122 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000904359052 635587636 /nfs/dbraw/zinc/58/76/36/635587636.db2.gz WXPNHLVPSFSMHE-IAGOWNOFSA-N 3 1 273.424 2.109 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)CCC[NH2+]C1 ZINC000904374355 635595273 /nfs/dbraw/zinc/59/52/73/635595273.db2.gz QOZPHDGWZFATEI-OAGGEKHMSA-N 2 1 266.429 2.267 20 0 CEADMP COc1cccc2c1OCC[C@H]2[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904377463 635603661 /nfs/dbraw/zinc/60/36/61/635603661.db2.gz PYEXKNHLJKJROM-RHSMWYFYSA-N 2 1 290.407 2.498 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000904381446 635605493 /nfs/dbraw/zinc/60/54/93/635605493.db2.gz PIXOHJQXSRPRPN-OFQRWUPVSA-N 2 1 268.445 2.234 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000904381446 635605498 /nfs/dbraw/zinc/60/54/98/635605498.db2.gz PIXOHJQXSRPRPN-OFQRWUPVSA-N 2 1 268.445 2.234 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)CCC[NH2+]C1 ZINC000904385391 635608510 /nfs/dbraw/zinc/60/85/10/635608510.db2.gz XGLKMLDVGZNTFL-IHRRRGAJSA-N 2 1 254.443 2.061 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000904404635 635611523 /nfs/dbraw/zinc/61/15/23/635611523.db2.gz BENVKJFLCDGCOK-NSHDSACASA-N 2 1 276.409 2.309 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000904407049 635614928 /nfs/dbraw/zinc/61/49/28/635614928.db2.gz MKRQOVAMGPLWNA-ZDUSSCGKSA-N 2 1 258.365 2.133 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000904409425 635615326 /nfs/dbraw/zinc/61/53/26/635615326.db2.gz BPLRPWPJSQRHPT-CJNGLKHVSA-N 2 1 261.413 2.239 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000904410574 635617154 /nfs/dbraw/zinc/61/71/54/635617154.db2.gz OWHBAOAYDIRVPN-MCIONIFRSA-N 3 1 255.450 2.057 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000904410574 635617158 /nfs/dbraw/zinc/61/71/58/635617158.db2.gz OWHBAOAYDIRVPN-MCIONIFRSA-N 3 1 255.450 2.057 20 0 CEADMP CCc1onc(C)c1C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000904433314 635626522 /nfs/dbraw/zinc/62/65/22/635626522.db2.gz LEYCYMCWUQVILM-PWSUYJOCSA-N 2 1 251.374 2.166 20 0 CEADMP Cc1cc(Br)ccc1C[NH2+]CC1([NH3+])CC1 ZINC000904449452 635640631 /nfs/dbraw/zinc/64/06/31/635640631.db2.gz IGBBUKMECFYDNZ-UHFFFAOYSA-N 2 1 269.186 2.338 20 0 CEADMP C[C@]12CSC[C@H]1C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000904473777 635648745 /nfs/dbraw/zinc/64/87/45/635648745.db2.gz CTDNQNHXTZJVCE-RDBSUJKOSA-N 2 1 254.443 2.061 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904661475 635700503 /nfs/dbraw/zinc/70/05/03/635700503.db2.gz ZPNXFSVPESYPFF-UHFFFAOYSA-N 2 1 290.411 2.093 20 0 CEADMP CCc1cc(N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)cc[nH+]1 ZINC000826632515 635798304 /nfs/dbraw/zinc/79/83/04/635798304.db2.gz HEVZUEBVWDKIRL-OKILXGFUSA-N 2 1 277.412 2.189 20 0 CEADMP CC(C)[NH2+]Cc1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000905057013 635804461 /nfs/dbraw/zinc/80/44/61/635804461.db2.gz GOMQNMXCLZQVIP-QGZVFWFLSA-N 2 1 299.422 2.223 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000905059624 635806237 /nfs/dbraw/zinc/80/62/37/635806237.db2.gz PWKSAMUWQMEDIC-INIZCTEOSA-N 2 1 273.380 2.213 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+][C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000905205553 635879960 /nfs/dbraw/zinc/87/99/60/635879960.db2.gz WNDIOTYHFZUPOC-WMLDXEAASA-N 2 1 274.408 2.268 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905709505 636399816 /nfs/dbraw/zinc/39/98/16/636399816.db2.gz MKMTUCSIYUUIJZ-NRSFXHEJSA-N 2 1 288.435 2.258 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000906582078 636796401 /nfs/dbraw/zinc/79/64/01/636796401.db2.gz MUCFMEMOCGUDAM-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000906582078 636796409 /nfs/dbraw/zinc/79/64/09/636796409.db2.gz MUCFMEMOCGUDAM-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000906582078 636796414 /nfs/dbraw/zinc/79/64/14/636796414.db2.gz MUCFMEMOCGUDAM-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](CC)C[NH+]2CCCC2)C1 ZINC000906714747 636828496 /nfs/dbraw/zinc/82/84/96/636828496.db2.gz LQEDYOIZXVNEFJ-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000907433233 637022826 /nfs/dbraw/zinc/02/28/26/637022826.db2.gz UGPYCCHIJMGDPP-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000907433233 637022827 /nfs/dbraw/zinc/02/28/27/637022827.db2.gz UGPYCCHIJMGDPP-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000907433233 637022829 /nfs/dbraw/zinc/02/28/29/637022829.db2.gz UGPYCCHIJMGDPP-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000909023349 637582836 /nfs/dbraw/zinc/58/28/36/637582836.db2.gz ZNGOPAOZNOPVII-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000911194237 638256716 /nfs/dbraw/zinc/25/67/16/638256716.db2.gz RPIVNCMISWZYCT-QQFBHYJXSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876725856 650410877 /nfs/dbraw/zinc/41/08/77/650410877.db2.gz ZOEJURRFPWTTDS-RBSFLKMASA-N 2 1 295.471 2.131 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000911808867 638419000 /nfs/dbraw/zinc/41/90/00/638419000.db2.gz BRIHNAVBRRLCEG-MRXNPFEDSA-N 2 1 287.407 2.144 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CC)C2)C1 ZINC000912399823 638679748 /nfs/dbraw/zinc/67/97/48/638679748.db2.gz ZLCBYSGPZZRMDP-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)C1 ZINC000912399823 638679750 /nfs/dbraw/zinc/67/97/50/638679750.db2.gz ZLCBYSGPZZRMDP-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000912399823 638679756 /nfs/dbraw/zinc/67/97/56/638679756.db2.gz ZLCBYSGPZZRMDP-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)C[N@@H+](C)C1CCC1 ZINC000912649469 638753927 /nfs/dbraw/zinc/75/39/27/638753927.db2.gz VBPMYTIMKZKWMP-GDBMZVCRSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C)OC ZINC000876916549 650485205 /nfs/dbraw/zinc/48/52/05/650485205.db2.gz UUVKGWXFYMJMAL-IPYPFGDCSA-N 2 1 267.417 2.478 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000876946373 650500634 /nfs/dbraw/zinc/50/06/34/650500634.db2.gz KTUSNEFLJGMHHL-SNVBAGLBSA-N 2 1 262.184 2.365 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC[C@@H]2CCO2)cn1 ZINC000876950946 650501359 /nfs/dbraw/zinc/50/13/59/650501359.db2.gz BJQQOGZWQZKIFX-OAHLLOKOSA-N 2 1 286.379 2.234 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccnc3Cl)C[C@@H]21 ZINC000230047768 639729967 /nfs/dbraw/zinc/72/99/67/639729967.db2.gz WBEPJXNNIMOOPA-WCFLWFBJSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccnc3Cl)C[C@@H]21 ZINC000230047768 639729972 /nfs/dbraw/zinc/72/99/72/639729972.db2.gz WBEPJXNNIMOOPA-WCFLWFBJSA-N 2 1 265.788 2.294 20 0 CEADMP C[C@@]1(C[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]C1 ZINC000062861684 639789497 /nfs/dbraw/zinc/78/94/97/639789497.db2.gz JYTSVUAJMUISME-QGZVFWFLSA-N 2 1 273.424 2.198 20 0 CEADMP COc1c(C)c[nH+]c(CN(CC[NH3+])CC(F)(F)F)c1C ZINC000231616194 639869147 /nfs/dbraw/zinc/86/91/47/639869147.db2.gz HSLOYKULGYMTLR-UHFFFAOYSA-N 2 1 291.317 2.030 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)C1CCC([NH3+])CC1 ZINC000841913755 639905627 /nfs/dbraw/zinc/90/56/27/639905627.db2.gz PWLJFOMBOYYFPX-NFOMZHRRSA-N 2 1 298.475 2.018 20 0 CEADMP C[C@H](C[NH2+]Cc1ccc(O)c(F)c1)C[NH+]1CCCC1 ZINC000232422704 639921697 /nfs/dbraw/zinc/92/16/97/639921697.db2.gz KJOKQPQAAVLRJZ-GFCCVEGCSA-N 2 1 266.360 2.353 20 0 CEADMP CC[C@H](C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)OC ZINC000842157037 639968858 /nfs/dbraw/zinc/96/88/58/639968858.db2.gz BYZMMUWEVUCJHM-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CCCNC(=O)[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000842472254 640071149 /nfs/dbraw/zinc/07/11/49/640071149.db2.gz VEOSCUVVQUZFGK-HNNXBMFYSA-N 2 1 283.460 2.134 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000842474654 640074243 /nfs/dbraw/zinc/07/42/43/640074243.db2.gz WOEIFMRNGMBSFU-HUUCEWRRSA-N 2 1 282.428 2.184 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000842477001 640077023 /nfs/dbraw/zinc/07/70/23/640077023.db2.gz ZSMAIKQVUNCOMZ-LLVKDONJSA-N 2 1 253.777 2.213 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000842478498 640078463 /nfs/dbraw/zinc/07/84/63/640078463.db2.gz KBLFEVYHKFIZHR-CYBMUJFWSA-N 2 1 250.390 2.456 20 0 CEADMP COCC1(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000842729857 640161592 /nfs/dbraw/zinc/16/15/92/640161592.db2.gz SWUFPBUHLSHXHL-UHFFFAOYSA-N 2 1 283.441 2.111 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H](COC)C(C)C)CC1 ZINC000929781280 640190017 /nfs/dbraw/zinc/19/00/17/640190017.db2.gz VLOZHVXUDRTKQR-AWEZNQCLSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](COC)C(C)C)CC1 ZINC000929781280 640190020 /nfs/dbraw/zinc/19/00/20/640190020.db2.gz VLOZHVXUDRTKQR-AWEZNQCLSA-N 2 1 256.434 2.321 20 0 CEADMP CCOc1cc(C[N@@H+](C)CCC[NH3+])ccc1OC(=O)CC ZINC000843050717 640254488 /nfs/dbraw/zinc/25/44/88/640254488.db2.gz QSZDFWSNVNPIHJ-UHFFFAOYSA-N 2 1 294.395 2.181 20 0 CEADMP C[N@@H+](Cc1c[nH]nc1-c1cccnc1)C1CCC([NH3+])CC1 ZINC000843055516 640257261 /nfs/dbraw/zinc/25/72/61/640257261.db2.gz FAFZMYNNDFBGPI-UHFFFAOYSA-N 2 1 285.395 2.173 20 0 CEADMP CCN(C)c1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cn1 ZINC000843055267 640257443 /nfs/dbraw/zinc/25/74/43/640257443.db2.gz UTHADGBGMRQSMP-UHFFFAOYSA-N 2 1 276.428 2.239 20 0 CEADMP Cc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])cnc1Cl ZINC000843056513 640258287 /nfs/dbraw/zinc/25/82/87/640258287.db2.gz OVEYHFDGUSNMRS-UHFFFAOYSA-N 2 1 255.793 2.460 20 0 CEADMP Cc1cc(C[N@H+](C)CC(C)(C)C[NH3+])cnc1Cl ZINC000843056513 640258291 /nfs/dbraw/zinc/25/82/91/640258291.db2.gz OVEYHFDGUSNMRS-UHFFFAOYSA-N 2 1 255.793 2.460 20 0 CEADMP COc1ccsc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055941 640258980 /nfs/dbraw/zinc/25/89/80/640258980.db2.gz SLOJWDDPADCEEK-UHFFFAOYSA-N 2 1 254.399 2.458 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H](CCC[NH3+])c2ccccc2)CC[NH2+]1 ZINC000843126027 640292535 /nfs/dbraw/zinc/29/25/35/640292535.db2.gz MLGFKHMHPOUPSO-KBMXLJTQSA-N 2 1 261.413 2.197 20 0 CEADMP C[C@H](C[NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1F ZINC000843126426 640293486 /nfs/dbraw/zinc/29/34/86/640293486.db2.gz QYFZCGQGISIAEF-PWSUYJOCSA-N 2 1 254.324 2.410 20 0 CEADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000843358191 640402860 /nfs/dbraw/zinc/40/28/60/640402860.db2.gz AXWGPXUJFAEJGV-HZPDHXFCSA-N 2 1 262.397 2.184 20 0 CEADMP CCC[N@@H+](CCCCCCC[NH3+])C1CC[NH2+]CC1 ZINC000843360715 640404673 /nfs/dbraw/zinc/40/46/73/640404673.db2.gz LLUYPPGFIXJUQU-UHFFFAOYSA-N 3 1 255.450 2.360 20 0 CEADMP CCC[N@H+](CCCCCCC[NH3+])C1CCNCC1 ZINC000843360715 640404678 /nfs/dbraw/zinc/40/46/78/640404678.db2.gz LLUYPPGFIXJUQU-UHFFFAOYSA-N 2 1 255.450 2.360 20 0 CEADMP CCC[N@@H+](CCCCCCC[NH3+])C1CCNCC1 ZINC000843360715 640404680 /nfs/dbraw/zinc/40/46/80/640404680.db2.gz LLUYPPGFIXJUQU-UHFFFAOYSA-N 2 1 255.450 2.360 20 0 CEADMP N[C@@H]1C[N@@H+](CCCCCCC[NH3+])C[C@H]1c1ccccc1 ZINC000843380994 640412376 /nfs/dbraw/zinc/41/23/76/640412376.db2.gz IXLPHSLRAFXPMI-DLBZAZTESA-N 2 1 275.440 2.322 20 0 CEADMP [NH3+]CCCCCCCN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000843380994 640412379 /nfs/dbraw/zinc/41/23/79/640412379.db2.gz IXLPHSLRAFXPMI-DLBZAZTESA-N 2 1 275.440 2.322 20 0 CEADMP CCCCOC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843387019 640413554 /nfs/dbraw/zinc/41/35/54/640413554.db2.gz PUUNTWCTCYWANM-HUUCEWRRSA-N 2 1 282.428 2.041 20 0 CEADMP OCCCCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843387609 640413802 /nfs/dbraw/zinc/41/38/02/640413802.db2.gz VKVZABMYFVXGMC-HOTGVXAUSA-N 2 1 268.445 2.251 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccccc3)CC[C@@H]21 ZINC000126354059 650577481 /nfs/dbraw/zinc/57/74/81/650577481.db2.gz HGCIMHSMEKGDOC-ULQDDVLXSA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)c3ccccc3)CC[C@@H]21 ZINC000126354059 650577483 /nfs/dbraw/zinc/57/74/83/650577483.db2.gz HGCIMHSMEKGDOC-ULQDDVLXSA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)c3ccccc3)CC[C@@H]21 ZINC000126354059 650577484 /nfs/dbraw/zinc/57/74/84/650577484.db2.gz HGCIMHSMEKGDOC-ULQDDVLXSA-N 2 1 274.408 2.136 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000843797595 640528347 /nfs/dbraw/zinc/52/83/47/640528347.db2.gz HODFYFGAVSVXKB-KGLIPLIRSA-N 2 1 294.443 2.099 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000844197566 640629336 /nfs/dbraw/zinc/62/93/36/640629336.db2.gz VDTKITJRTWAZGP-IIAWOOMASA-N 2 1 283.460 2.001 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000844221826 640635782 /nfs/dbraw/zinc/63/57/82/640635782.db2.gz MULKZMVRVXNDMO-INIZCTEOSA-N 2 1 267.461 2.456 20 0 CEADMP [NH3+]CCCCCCCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000844221826 640635786 /nfs/dbraw/zinc/63/57/86/640635786.db2.gz MULKZMVRVXNDMO-INIZCTEOSA-N 2 1 267.461 2.456 20 0 CEADMP Cc1ccccc1C1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCC1 ZINC000844352250 640688929 /nfs/dbraw/zinc/68/89/29/640688929.db2.gz WMGQWDZYVKYJMR-INIZCTEOSA-N 2 1 288.435 2.421 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1ncc(Cl)n1C ZINC000844905072 640861184 /nfs/dbraw/zinc/86/11/84/640861184.db2.gz VAVNUHLEFGDZJR-UHFFFAOYSA-N 2 1 278.787 2.083 20 0 CEADMP Cc1nc(C)c(C[N@H+](C)CCCn2cc[nH+]c2C)[nH]1 ZINC000930062706 641022174 /nfs/dbraw/zinc/02/21/74/641022174.db2.gz XLFMGFOQOROJEM-UHFFFAOYSA-N 2 1 261.373 2.054 20 0 CEADMP Cc1nc(C)c(C[N@@H+](C)CCCn2cc[nH+]c2C)[nH]1 ZINC000930062706 641022179 /nfs/dbraw/zinc/02/21/79/641022179.db2.gz XLFMGFOQOROJEM-UHFFFAOYSA-N 2 1 261.373 2.054 20 0 CEADMP COc1ccc(CCC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000925479365 641137527 /nfs/dbraw/zinc/13/75/27/641137527.db2.gz GOSVBLACPJROAZ-UKRRQHHQSA-N 2 1 292.423 2.367 20 0 CEADMP NC(=O)c1ccc(C[N@@H+](CCCCCC[NH3+])C2CC2)cc1 ZINC000846217767 641225480 /nfs/dbraw/zinc/22/54/80/641225480.db2.gz AGYJQSYUWXDCPQ-UHFFFAOYSA-N 2 1 289.423 2.269 20 0 CEADMP Cn1cc(C[N@@H+](C)CCCCCC[NH3+])c(C(F)(F)F)n1 ZINC000846223964 641232427 /nfs/dbraw/zinc/23/24/27/641232427.db2.gz QXLLPEXWLIMEHO-UHFFFAOYSA-N 2 1 292.349 2.390 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877258892 650644857 /nfs/dbraw/zinc/64/48/57/650644857.db2.gz VACMTKKPHMESEW-VBQJREDUSA-N 2 1 295.471 2.083 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000846809125 641432151 /nfs/dbraw/zinc/43/21/51/641432151.db2.gz MVVWJFCAQPJPSQ-CQSZACIVSA-N 2 1 288.395 2.387 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000846809125 641432157 /nfs/dbraw/zinc/43/21/57/641432157.db2.gz MVVWJFCAQPJPSQ-CQSZACIVSA-N 2 1 288.395 2.387 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000070149584 641636994 /nfs/dbraw/zinc/63/69/94/641636994.db2.gz JYVKFNDWTHYVSI-HNNXBMFYSA-N 2 1 293.386 2.358 20 0 CEADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cn2cnnc2)CC1 ZINC000182579726 641675775 /nfs/dbraw/zinc/67/57/75/641675775.db2.gz YNDHNEFCNHABIR-UHFFFAOYSA-N 2 1 299.422 2.080 20 0 CEADMP Cn1c(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cnc1Cl ZINC000848538981 642041838 /nfs/dbraw/zinc/04/18/38/642041838.db2.gz BZBMLQWZWRLUQQ-QWRGUYRKSA-N 2 1 270.808 2.036 20 0 CEADMP C[C@H](CC[NH2+]Cc1cnc(Cl)n1C)[NH+]1CCCCC1 ZINC000848546475 642046222 /nfs/dbraw/zinc/04/62/22/642046222.db2.gz CDDIJURTDIVVTJ-GFCCVEGCSA-N 2 1 284.835 2.428 20 0 CEADMP c1nn(CC2CCC2)cc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000921528354 642208100 /nfs/dbraw/zinc/20/81/00/642208100.db2.gz SYJVPQMXLRFWPI-OAHLLOKOSA-N 2 1 288.439 2.257 20 0 CEADMP c1nn(CC2CCC2)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000921528354 642208107 /nfs/dbraw/zinc/20/81/07/642208107.db2.gz SYJVPQMXLRFWPI-OAHLLOKOSA-N 2 1 288.439 2.257 20 0 CEADMP c1nn(CC2CCC2)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000921528354 642208111 /nfs/dbraw/zinc/20/81/11/642208111.db2.gz SYJVPQMXLRFWPI-OAHLLOKOSA-N 2 1 288.439 2.257 20 0 CEADMP CC[C@@H](C)NC(=[NH2+])NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000848989217 642211420 /nfs/dbraw/zinc/21/14/20/642211420.db2.gz GQIRAXAABCGEPJ-ZIAGYGMSSA-N 2 1 268.449 2.411 20 0 CEADMP Cc1ccc([C@@H](CNC2=[NH+]CCCN2C)[NH+]2CCCC2)o1 ZINC000849001070 642219394 /nfs/dbraw/zinc/21/93/94/642219394.db2.gz ZEVGFCJYUMDKLI-CQSZACIVSA-N 2 1 290.411 2.006 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC(C)(C)COC ZINC000849028441 642241194 /nfs/dbraw/zinc/24/11/94/642241194.db2.gz KKHXBUFRFHLKPZ-AWEZNQCLSA-N 2 1 298.475 2.037 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921557307 642241288 /nfs/dbraw/zinc/24/12/88/642241288.db2.gz MDTRFQGBCJPZDD-UHFFFAOYSA-N 2 1 273.384 2.293 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000849027700 642241399 /nfs/dbraw/zinc/24/13/99/642241399.db2.gz GNSYWZOKLCXVLO-KGLIPLIRSA-N 2 1 266.433 2.117 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H]2CC2(Cl)Cl)CCCO1 ZINC000877478961 650740643 /nfs/dbraw/zinc/74/06/43/650740643.db2.gz SNPCQYJCUGVIOQ-RYUDHWBXSA-N 2 1 295.254 2.271 20 0 CEADMP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](CC)CC1 ZINC000998093270 642364802 /nfs/dbraw/zinc/36/48/02/642364802.db2.gz HILZCCASUNJQCX-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000921689528 642534247 /nfs/dbraw/zinc/53/42/47/642534247.db2.gz FXMOGKIWOWOHHM-GBJTYRQASA-N 2 1 284.469 2.113 20 0 CEADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000921689528 642534250 /nfs/dbraw/zinc/53/42/50/642534250.db2.gz FXMOGKIWOWOHHM-GBJTYRQASA-N 2 1 284.469 2.113 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1F ZINC000166048582 642620870 /nfs/dbraw/zinc/62/08/70/642620870.db2.gz AWGNCXYKSWFOFJ-LBPRGKRZSA-N 2 1 266.360 2.395 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC)C1 ZINC001000665504 642637948 /nfs/dbraw/zinc/63/79/48/642637948.db2.gz SWPHNPHJTAMPJE-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1=CC[NH+](C(C)C)CC1 ZINC001000757388 642648997 /nfs/dbraw/zinc/64/89/97/642648997.db2.gz NLKHDDNWASOTSX-MRXNPFEDSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC1=CC[N@@H+](C(C)C)CC1 ZINC001000757388 642648998 /nfs/dbraw/zinc/64/89/98/642648998.db2.gz NLKHDDNWASOTSX-MRXNPFEDSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC1=CC[N@H+](C(C)C)CC1 ZINC001000757388 642648999 /nfs/dbraw/zinc/64/89/99/642648999.db2.gz NLKHDDNWASOTSX-MRXNPFEDSA-N 2 1 293.455 2.018 20 0 CEADMP CC[N@@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001000875640 642658638 /nfs/dbraw/zinc/65/86/38/642658638.db2.gz NCYSYQUOIVWLIA-UHFFFAOYSA-N 2 1 298.390 2.025 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921818490 642682136 /nfs/dbraw/zinc/68/21/36/642682136.db2.gz ONNUZEFMEAPAOQ-OLZOCXBDSA-N 2 1 289.379 2.496 20 0 CEADMP FC1(F)[C@@H]2CCCO[C@@]21C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000850379565 642691280 /nfs/dbraw/zinc/69/12/80/642691280.db2.gz BJTBEDVDANNZSR-RQJABVFESA-N 2 1 286.366 2.017 20 0 CEADMP FC1(F)[C@@H]2CCCO[C@@]21C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000850379565 642691282 /nfs/dbraw/zinc/69/12/82/642691282.db2.gz BJTBEDVDANNZSR-RQJABVFESA-N 2 1 286.366 2.017 20 0 CEADMP C([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCOC1 ZINC000850382417 642692115 /nfs/dbraw/zinc/69/21/15/642692115.db2.gz RIGUDOXJXVBFPD-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCOC1 ZINC000850382417 642692117 /nfs/dbraw/zinc/69/21/17/642692117.db2.gz RIGUDOXJXVBFPD-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000922063171 642861730 /nfs/dbraw/zinc/86/17/30/642861730.db2.gz FLERROCZSPFOKT-RBSFLKMASA-N 2 1 277.412 2.383 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000922180696 642941328 /nfs/dbraw/zinc/94/13/28/642941328.db2.gz GANJGMIEAHDVSG-GFCCVEGCSA-N 2 1 289.379 2.355 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCN(C(C)C)CC1 ZINC000109944911 642997044 /nfs/dbraw/zinc/99/70/44/642997044.db2.gz BHRVKZREPQXIDE-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000109944911 642997050 /nfs/dbraw/zinc/99/70/50/642997050.db2.gz BHRVKZREPQXIDE-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP CC[C@H](C)C[NH2+][C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922387935 643056550 /nfs/dbraw/zinc/05/65/50/643056550.db2.gz MZLJVXSZWGQNJA-OTJKEOIZSA-N 2 1 268.445 2.102 20 0 CEADMP CC(C)CCC[NH2+][C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922385850 643057227 /nfs/dbraw/zinc/05/72/27/643057227.db2.gz CAQFBFWSKVOPJP-WCXIOVBPSA-N 2 1 282.472 2.492 20 0 CEADMP Cc1coc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000922390467 643058617 /nfs/dbraw/zinc/05/86/17/643058617.db2.gz NBLSOJZUHXONDK-NCOADZHNSA-N 2 1 292.423 2.157 20 0 CEADMP ClC(Cl)=CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000851729085 643130676 /nfs/dbraw/zinc/13/06/76/643130676.db2.gz YRLZBBZFLJUDAA-UHFFFAOYSA-N 2 1 293.238 2.350 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cnon2)CC1 ZINC000851730277 643131851 /nfs/dbraw/zinc/13/18/51/643131851.db2.gz AQFSBASEKSGSBR-UHFFFAOYSA-N 2 1 266.389 2.014 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnon2)CC1 ZINC000851730277 643131853 /nfs/dbraw/zinc/13/18/53/643131853.db2.gz AQFSBASEKSGSBR-UHFFFAOYSA-N 2 1 266.389 2.014 20 0 CEADMP O=C1CC[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)O1 ZINC000851750979 643146679 /nfs/dbraw/zinc/14/66/79/643146679.db2.gz NMARVQZNNUKOKO-HOTGVXAUSA-N 2 1 294.439 2.280 20 0 CEADMP O=C1CC[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)O1 ZINC000851750979 643146682 /nfs/dbraw/zinc/14/66/82/643146682.db2.gz NMARVQZNNUKOKO-HOTGVXAUSA-N 2 1 294.439 2.280 20 0 CEADMP FC(F)OCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000851779098 643158493 /nfs/dbraw/zinc/15/84/93/643158493.db2.gz QHGAOVXICDDTRN-GFCCVEGCSA-N 2 1 262.344 2.176 20 0 CEADMP FC(F)OCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000851779098 643158497 /nfs/dbraw/zinc/15/84/97/643158497.db2.gz QHGAOVXICDDTRN-GFCCVEGCSA-N 2 1 262.344 2.176 20 0 CEADMP Cc1nccn1CCC[N@H+](C)Cc1cccc(F)n1 ZINC000851860293 643196083 /nfs/dbraw/zinc/19/60/83/643196083.db2.gz JADVUFGAQXNUHC-UHFFFAOYSA-N 2 1 262.332 2.248 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(F)n1 ZINC000851860293 643196093 /nfs/dbraw/zinc/19/60/93/643196093.db2.gz JADVUFGAQXNUHC-UHFFFAOYSA-N 2 1 262.332 2.248 20 0 CEADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cnon2)CC1 ZINC000851920332 643223536 /nfs/dbraw/zinc/22/35/36/643223536.db2.gz ZHIVWHKECUTDPK-UHFFFAOYSA-N 2 1 280.416 2.404 20 0 CEADMP CCO[C@@H](CNCc1ccnc2ccccc12)C[NH+](C)C ZINC000922755782 643246568 /nfs/dbraw/zinc/24/65/68/643246568.db2.gz ALHOVDCIZYQTNL-HNNXBMFYSA-N 2 1 287.407 2.291 20 0 CEADMP CCO[C@H](C[NH2+]C/C=C\c1ccccc1OC)CN(C)C ZINC000922756062 643246871 /nfs/dbraw/zinc/24/68/71/643246871.db2.gz DSEYGVGWHAENEU-SIJIIQCFSA-N 2 1 292.423 2.265 20 0 CEADMP CCO[C@@H](C[NH2+]Cc1cccc2cnccc21)C[NH+](C)C ZINC000922757208 643248257 /nfs/dbraw/zinc/24/82/57/643248257.db2.gz CQYSQOVXWHABKL-INIZCTEOSA-N 2 1 287.407 2.291 20 0 CEADMP COCC[N@H+](Cc1ccnc(C)c1)CC1CC[NH+](C)CC1 ZINC000877664403 650840596 /nfs/dbraw/zinc/84/05/96/650840596.db2.gz NYOMFYSWUYSUPZ-UHFFFAOYSA-N 2 1 291.439 2.180 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CC1(OC)CCCC1 ZINC000877664326 650840966 /nfs/dbraw/zinc/84/09/66/650840966.db2.gz NTKVHTCSFIVWHQ-UHFFFAOYSA-N 2 1 298.471 2.236 20 0 CEADMP C[C@H]1CCC[C@H](CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000877669629 650842534 /nfs/dbraw/zinc/84/25/34/650842534.db2.gz RHBGQZNPSWYJSI-WNRNVDISSA-N 2 1 295.515 2.484 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2c3ccccc3CC[C@H]2O)CC1(C)C ZINC000922989302 643498842 /nfs/dbraw/zinc/49/88/42/643498842.db2.gz IJPJPMXPHOCMQE-OIISXLGYSA-N 2 1 288.435 2.497 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2c3ccccc3CC[C@H]2O)CC1(C)C ZINC000922989302 643498847 /nfs/dbraw/zinc/49/88/47/643498847.db2.gz IJPJPMXPHOCMQE-OIISXLGYSA-N 2 1 288.435 2.497 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000923004183 643508357 /nfs/dbraw/zinc/50/83/57/643508357.db2.gz AQOMZRISXVPILC-DKIMLUQUSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000923004183 643508358 /nfs/dbraw/zinc/50/83/58/643508358.db2.gz AQOMZRISXVPILC-DKIMLUQUSA-N 2 1 288.435 2.400 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000852745931 643532487 /nfs/dbraw/zinc/53/24/87/643532487.db2.gz AZJDNYLZOGIZRF-ALOPSCKCSA-N 3 1 285.435 2.177 20 0 CEADMP C[C@H]1CC[N@@H+](CCC2SCCS2)C[C@H]1C[NH3+] ZINC000853023495 643625833 /nfs/dbraw/zinc/62/58/33/643625833.db2.gz YZFZPOTYQLBUGQ-WDEREUQCSA-N 2 1 260.472 2.099 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923282650 643638802 /nfs/dbraw/zinc/63/88/02/643638802.db2.gz XRQUDCHGZIYCFF-ZANVPECISA-N 2 1 289.206 2.307 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923282650 643638805 /nfs/dbraw/zinc/63/88/05/643638805.db2.gz XRQUDCHGZIYCFF-ZANVPECISA-N 2 1 289.206 2.307 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000923290562 643642736 /nfs/dbraw/zinc/64/27/36/643642736.db2.gz ZINHRCZZZRXKAG-CWRNSKLLSA-N 2 1 262.397 2.088 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923297824 643648215 /nfs/dbraw/zinc/64/82/15/643648215.db2.gz QBLKWUYPKHMYQT-WTXIUTQJSA-N 3 1 267.461 2.212 20 0 CEADMP Fc1ccccc1C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923301949 643650342 /nfs/dbraw/zinc/65/03/42/643650342.db2.gz LUVCJVHVYPDHAX-OAHLLOKOSA-N 2 1 290.382 2.169 20 0 CEADMP COc1cncc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853092550 643650705 /nfs/dbraw/zinc/65/07/05/643650705.db2.gz ADSJWLXFSDGMOC-HNNXBMFYSA-N 2 1 289.423 2.302 20 0 CEADMP COc1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853092550 643650711 /nfs/dbraw/zinc/65/07/11/643650711.db2.gz ADSJWLXFSDGMOC-HNNXBMFYSA-N 2 1 289.423 2.302 20 0 CEADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000923308671 643651834 /nfs/dbraw/zinc/65/18/34/643651834.db2.gz DRUVGUINTLFUTP-LSDHHAIUSA-N 2 1 264.413 2.020 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853097435 643652532 /nfs/dbraw/zinc/65/25/32/643652532.db2.gz AZEPJVBRQVUANC-RDJZCZTQSA-N 2 1 291.439 2.217 20 0 CEADMP Cc1ccccc1[C@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923312906 643652827 /nfs/dbraw/zinc/65/28/27/643652827.db2.gz SHLDTPBMKGFJDQ-JKSUJKDBSA-N 2 1 286.419 2.163 20 0 CEADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000923316313 643654299 /nfs/dbraw/zinc/65/42/99/643654299.db2.gz HEOOEVCYHRQYJZ-AWEZNQCLSA-N 2 1 296.480 2.117 20 0 CEADMP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317081 643656553 /nfs/dbraw/zinc/65/65/53/643656553.db2.gz YLVBBMYJHWZDTE-WBVHZDCISA-N 2 1 286.419 2.374 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923310270 643658231 /nfs/dbraw/zinc/65/82/31/643658231.db2.gz CWKWPFRPUQTTHC-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC000923328310 643660072 /nfs/dbraw/zinc/66/00/72/643660072.db2.gz VXAYWVVEVXWLPE-MQVJKMGUSA-N 2 1 279.472 2.371 20 0 CEADMP CCC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCNCC1 ZINC000923328310 643660078 /nfs/dbraw/zinc/66/00/78/643660078.db2.gz VXAYWVVEVXWLPE-MQVJKMGUSA-N 2 1 279.472 2.371 20 0 CEADMP CCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCNCC1 ZINC000923328310 643660082 /nfs/dbraw/zinc/66/00/82/643660082.db2.gz VXAYWVVEVXWLPE-MQVJKMGUSA-N 2 1 279.472 2.371 20 0 CEADMP O[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923329899 643661259 /nfs/dbraw/zinc/66/12/59/643661259.db2.gz QYHFMLGHPFKWOP-KURKYZTESA-N 2 1 288.435 2.054 20 0 CEADMP CCn1cc(C2CC[NH+](CCC[NH2+]C3CC3)CC2)cn1 ZINC000923323186 643662202 /nfs/dbraw/zinc/66/22/02/643662202.db2.gz FJCGJKYOAPWMLE-UHFFFAOYSA-N 2 1 276.428 2.225 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C ZINC000923324755 643663223 /nfs/dbraw/zinc/66/32/23/643663223.db2.gz KDPDMYYJYXSOOJ-AKBNIOSXSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1C ZINC000923324755 643663224 /nfs/dbraw/zinc/66/32/24/643663224.db2.gz KDPDMYYJYXSOOJ-AKBNIOSXSA-N 3 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1C ZINC000923324755 643663227 /nfs/dbraw/zinc/66/32/27/643663227.db2.gz KDPDMYYJYXSOOJ-AKBNIOSXSA-N 3 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH+]1C ZINC000923324755 643663230 /nfs/dbraw/zinc/66/32/30/643663230.db2.gz KDPDMYYJYXSOOJ-AKBNIOSXSA-N 3 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH+]1C ZINC000923324755 643663233 /nfs/dbraw/zinc/66/32/33/643663233.db2.gz KDPDMYYJYXSOOJ-AKBNIOSXSA-N 3 1 279.472 2.322 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3F)C[C@@H]21 ZINC000923334573 643666902 /nfs/dbraw/zinc/66/69/02/643666902.db2.gz WOHYMWIUPNVMEB-UCDYDWOKSA-N 2 1 296.361 2.057 20 0 CEADMP CC[N@@H+](C[C@@H](O)CC1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000923335674 643667909 /nfs/dbraw/zinc/66/79/09/643667909.db2.gz OEZCFXAEAMKDLA-HOTGVXAUSA-N 2 1 268.445 2.392 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000923348969 643672695 /nfs/dbraw/zinc/67/26/95/643672695.db2.gz MHJHPZNNQBQZHT-GOEBONIOSA-N 2 1 262.397 2.089 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)CC[C@@H]1[NH3+] ZINC000923346674 643676035 /nfs/dbraw/zinc/67/60/35/643676035.db2.gz UXACTIOKZKMDBW-IKGGRYGDSA-N 2 1 276.424 2.039 20 0 CEADMP C[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)[C@@H](C[NH3+])C1CC1 ZINC000923356444 643678278 /nfs/dbraw/zinc/67/82/78/643678278.db2.gz INNNXDWNCUXRFX-MOPGFXCFSA-N 2 1 298.430 2.412 20 0 CEADMP C[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)[C@@H](C[NH3+])C1CC1 ZINC000923356444 643678282 /nfs/dbraw/zinc/67/82/82/643678282.db2.gz INNNXDWNCUXRFX-MOPGFXCFSA-N 2 1 298.430 2.412 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000923354947 643678460 /nfs/dbraw/zinc/67/84/60/643678460.db2.gz XLJITHYYHOIQSK-GJZGRUSLSA-N 2 1 266.360 2.062 20 0 CEADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923368802 643682190 /nfs/dbraw/zinc/68/21/90/643682190.db2.gz TVUCSCBPOQJFLM-LSDHHAIUSA-N 2 1 294.439 2.006 20 0 CEADMP Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)c(C)c1 ZINC000923368205 643682297 /nfs/dbraw/zinc/68/22/97/643682297.db2.gz NOWCXQSUELEOON-ZBFHGGJFSA-N 2 1 294.439 2.006 20 0 CEADMP C[C@H]1CC[N@@H+](CCc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000923375338 643685137 /nfs/dbraw/zinc/68/51/37/643685137.db2.gz JZYNFJZTFILXJX-JSGCOSHPSA-N 2 1 250.361 2.285 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000923388750 643693811 /nfs/dbraw/zinc/69/38/11/643693811.db2.gz RCUOONWZCFJUAZ-QAETUUGQSA-N 2 1 298.471 2.002 20 0 CEADMP CCCCCC[C@H](O)C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000923424597 643703681 /nfs/dbraw/zinc/70/36/81/643703681.db2.gz GUPFGOOBPIIPBL-AVGNSLFASA-N 2 1 296.377 2.387 20 0 CEADMP C[C@@H]1c2sccc2CC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923425560 643704837 /nfs/dbraw/zinc/70/48/37/643704837.db2.gz HLWLJNDGOJHZOM-DGCLKSJQSA-N 2 1 278.421 2.046 20 0 CEADMP O[C@@H](C[N@@H+]1CC[NH2+]CCC12CCC2)c1ccc(F)cc1 ZINC000923426186 643704874 /nfs/dbraw/zinc/70/48/74/643704874.db2.gz LGUURBWESYVOPK-HNNXBMFYSA-N 2 1 278.371 2.077 20 0 CEADMP O[C@@H](C[N@H+]1CC[NH2+]CCC12CCC2)c1ccc(F)cc1 ZINC000923426186 643704877 /nfs/dbraw/zinc/70/48/77/643704877.db2.gz LGUURBWESYVOPK-HNNXBMFYSA-N 2 1 278.371 2.077 20 0 CEADMP CC(=O)[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923421180 643709279 /nfs/dbraw/zinc/70/92/79/643709279.db2.gz OSDGRTIWBDNKLZ-VIYLOZMYSA-N 2 1 264.413 2.208 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000923443272 643718693 /nfs/dbraw/zinc/71/86/93/643718693.db2.gz VTPQJIVFANTWPE-UHFFFAOYSA-N 2 1 276.428 2.485 20 0 CEADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)c(C)c1 ZINC000923487449 643729916 /nfs/dbraw/zinc/72/99/16/643729916.db2.gz LUYULQGVRUVSAL-CABCVRRESA-N 2 1 289.423 2.301 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000923481883 643731806 /nfs/dbraw/zinc/73/18/06/643731806.db2.gz AEMSAAHWMYHSNT-CQSZACIVSA-N 2 1 250.361 2.429 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)C1CCCCC1 ZINC000923490610 643735892 /nfs/dbraw/zinc/73/58/92/643735892.db2.gz OINKACPTSQOHHF-VNQPRFMTSA-N 2 1 268.445 2.498 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1)C1CCCCC1 ZINC000923490603 643735903 /nfs/dbraw/zinc/73/59/03/643735903.db2.gz OINKACPTSQOHHF-FVQBIDKESA-N 2 1 268.445 2.498 20 0 CEADMP Cc1cc(C)c(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(C)n1 ZINC000923492946 643737601 /nfs/dbraw/zinc/73/76/01/643737601.db2.gz ZQCYXNJICARIJP-SWLSCSKDSA-N 2 1 261.413 2.424 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)CC[C@H]1C[NH3+] ZINC000923497641 643739319 /nfs/dbraw/zinc/73/93/19/643739319.db2.gz HXTVQYZICVVUPW-MNOVXSKESA-N 2 1 254.324 2.382 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2nc3ccccc3n2C)CC[C@@H]1C[NH3+] ZINC000923497374 643739910 /nfs/dbraw/zinc/73/99/10/643739910.db2.gz DWAIJUKPBQNJRE-ZIAGYGMSSA-N 2 1 286.423 2.033 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CC[C@H]1C[NH3+] ZINC000923498283 643740632 /nfs/dbraw/zinc/74/06/32/643740632.db2.gz HHICUASFTHJWGB-ZBFHGGJFSA-N 2 1 284.407 2.289 20 0 CEADMP CC(C)c1cnc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000923500377 643741288 /nfs/dbraw/zinc/74/12/88/643741288.db2.gz OCFSCTQWWMYWTA-NEPJUHHUSA-N 2 1 251.374 2.215 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923500190 643741375 /nfs/dbraw/zinc/74/13/75/643741375.db2.gz OYBQIELXGWLJLN-LSDHHAIUSA-N 2 1 292.423 2.381 20 0 CEADMP CC(=O)c1ccccc1OCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923504210 643741582 /nfs/dbraw/zinc/74/15/82/643741582.db2.gz PYGYVJUHRCHRBH-DZGCQCFKSA-N 2 1 290.407 2.185 20 0 CEADMP Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923509246 643745448 /nfs/dbraw/zinc/74/54/48/643745448.db2.gz OHKILXQXSKXCRA-CABCVRRESA-N 2 1 289.423 2.159 20 0 CEADMP CO[C@@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000923516300 643747131 /nfs/dbraw/zinc/74/71/31/643747131.db2.gz YITAQZOUBJKONR-XHSDSOJGSA-N 2 1 266.429 2.123 20 0 CEADMP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC[NH2+]C1 ZINC000923525955 643750327 /nfs/dbraw/zinc/75/03/27/643750327.db2.gz LTSFHQDJZLJUAM-WODVXLOZSA-N 2 1 258.356 2.494 20 0 CEADMP CC1(C)C[C@H](c2ccccc2)C[N@H+]1CCN1CC[NH2+]CC1 ZINC000923526042 643750341 /nfs/dbraw/zinc/75/03/41/643750341.db2.gz NLCLJFHTCNZWFM-KRWDZBQOSA-N 2 1 287.451 2.160 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)OC ZINC000877738859 650880778 /nfs/dbraw/zinc/88/07/78/650880778.db2.gz DKOBYZCLIIKMBJ-XGUBFFRZSA-N 2 1 254.418 2.074 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1)OC ZINC000877738859 650880780 /nfs/dbraw/zinc/88/07/80/650880780.db2.gz DKOBYZCLIIKMBJ-XGUBFFRZSA-N 2 1 254.418 2.074 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1)OC ZINC000877738859 650880784 /nfs/dbraw/zinc/88/07/84/650880784.db2.gz DKOBYZCLIIKMBJ-XGUBFFRZSA-N 2 1 254.418 2.074 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000838845271 644044163 /nfs/dbraw/zinc/04/41/63/644044163.db2.gz NFBZGGQFXMSKBC-HNNXBMFYSA-N 2 1 296.455 2.384 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)CC(=O)OCC)C1 ZINC000838911467 644066156 /nfs/dbraw/zinc/06/61/56/644066156.db2.gz BHXISCMBEVKMHS-AWEZNQCLSA-N 2 1 284.444 2.287 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000855167364 644265095 /nfs/dbraw/zinc/26/50/95/644265095.db2.gz YYDACMFYCFGTHM-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000855167364 644265098 /nfs/dbraw/zinc/26/50/98/644265098.db2.gz YYDACMFYCFGTHM-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000855167364 644265102 /nfs/dbraw/zinc/26/51/02/644265102.db2.gz YYDACMFYCFGTHM-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP CC/C(C)=C(\C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346775 644311914 /nfs/dbraw/zinc/31/19/14/644311914.db2.gz MAQLSWQLXKWGEL-MRPLLJTBSA-N 2 1 283.460 2.121 20 0 CEADMP CC/C(C)=C(\C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346775 644311918 /nfs/dbraw/zinc/31/19/18/644311918.db2.gz MAQLSWQLXKWGEL-MRPLLJTBSA-N 2 1 283.460 2.121 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)/C=C\C1CCCC1 ZINC000855344977 644312040 /nfs/dbraw/zinc/31/20/40/644312040.db2.gz KJYBWYXTBJZCHH-WOLCWHLNSA-N 2 1 295.471 2.121 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)/C=C\C1CCCC1 ZINC000855344977 644312043 /nfs/dbraw/zinc/31/20/43/644312043.db2.gz KJYBWYXTBJZCHH-WOLCWHLNSA-N 2 1 295.471 2.121 20 0 CEADMP C(CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)CC[NH+]1CCCCC1 ZINC000925488979 644364377 /nfs/dbraw/zinc/36/43/77/644364377.db2.gz WQQYOQFGQOHQPL-TXTZMMAHSA-N 2 1 291.483 2.229 20 0 CEADMP c1ccc2c(c1)CCN2CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000754793301 644432012 /nfs/dbraw/zinc/43/20/12/644432012.db2.gz FQTLDADIDUQYMA-DLBZAZTESA-N 2 1 285.435 2.266 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H](CCO)c1cccs1 ZINC000755047431 644463634 /nfs/dbraw/zinc/46/36/34/644463634.db2.gz FWPFNXCXGOLEHK-CYBMUJFWSA-N 2 1 270.442 2.493 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000755062185 644466389 /nfs/dbraw/zinc/46/63/89/644466389.db2.gz FIKOMXIYKLXQAM-UHFFFAOYSA-N 2 1 284.444 2.193 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000756068812 644600166 /nfs/dbraw/zinc/60/01/66/644600166.db2.gz AONFNYKRJFZHHT-IHRRRGAJSA-N 2 1 297.443 2.116 20 0 CEADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3CC3)C2)ccn1 ZINC000856553629 644694770 /nfs/dbraw/zinc/69/47/70/644694770.db2.gz MWIFKSIGLIKGLN-QGZVFWFLSA-N 2 1 289.423 2.396 20 0 CEADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC3CC3)C2)ccn1 ZINC000856553629 644694773 /nfs/dbraw/zinc/69/47/73/644694773.db2.gz MWIFKSIGLIKGLN-QGZVFWFLSA-N 2 1 289.423 2.396 20 0 CEADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC3CC3)C2)ccn1 ZINC000856553629 644694776 /nfs/dbraw/zinc/69/47/76/644694776.db2.gz MWIFKSIGLIKGLN-QGZVFWFLSA-N 2 1 289.423 2.396 20 0 CEADMP C[C@H](CN[C@H]1CC[NH2+]C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000925491075 644804595 /nfs/dbraw/zinc/80/45/95/644804595.db2.gz IQRIYBLMDNOLLS-QAPCUYQASA-N 2 1 299.462 2.307 20 0 CEADMP Cc1ccccc1[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858134064 645071796 /nfs/dbraw/zinc/07/17/96/645071796.db2.gz HYSDUIHAYKALDB-ZBFHGGJFSA-N 2 1 276.424 2.491 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1(C)C ZINC000858142919 645073411 /nfs/dbraw/zinc/07/34/11/645073411.db2.gz RBOSVRWBLWVFFE-BXUZGUMPSA-N 2 1 298.377 2.461 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1(C)C ZINC000858142919 645073412 /nfs/dbraw/zinc/07/34/12/645073412.db2.gz RBOSVRWBLWVFFE-BXUZGUMPSA-N 2 1 298.377 2.461 20 0 CEADMP CC(C)[C@@H](O)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000878121147 651006108 /nfs/dbraw/zinc/00/61/08/651006108.db2.gz NNHYURXOAYBZBU-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1([NH+](C)C)CCC1 ZINC000762975984 645486268 /nfs/dbraw/zinc/48/62/68/645486268.db2.gz ZTOWQXDNSQFAGG-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC3(CCC3)CO2)CC[N@@H+]1C ZINC000878162619 651019864 /nfs/dbraw/zinc/01/98/64/651019864.db2.gz HSTOJZJIUMOAML-ILXRZTDVSA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC3(CCC3)CO2)CC[N@H+]1C ZINC000878162619 651019866 /nfs/dbraw/zinc/01/98/66/651019866.db2.gz HSTOJZJIUMOAML-ILXRZTDVSA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC3(CCC3)CO2)CC[NH+]1C ZINC000878162619 651019868 /nfs/dbraw/zinc/01/98/68/651019868.db2.gz HSTOJZJIUMOAML-ILXRZTDVSA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC3(CCC3)CO2)CC[NH+]1C ZINC000878162619 651019869 /nfs/dbraw/zinc/01/98/69/651019869.db2.gz HSTOJZJIUMOAML-ILXRZTDVSA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC3(CCC3)CO2)CC[N@@H+]1C ZINC000878162627 651020223 /nfs/dbraw/zinc/02/02/23/651020223.db2.gz HSTOJZJIUMOAML-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC3(CCC3)CO2)CC[N@H+]1C ZINC000878162627 651020226 /nfs/dbraw/zinc/02/02/26/651020226.db2.gz HSTOJZJIUMOAML-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CC3(CCC3)CO2)CC[NH+]1C ZINC000878162627 651020230 /nfs/dbraw/zinc/02/02/30/651020230.db2.gz HSTOJZJIUMOAML-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CC3(CCC3)CO2)CC[NH+]1C ZINC000878162627 651020234 /nfs/dbraw/zinc/02/02/34/651020234.db2.gz HSTOJZJIUMOAML-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000860095604 645699086 /nfs/dbraw/zinc/69/90/86/645699086.db2.gz HAZINPFNKXNMOP-LBPRGKRZSA-N 2 1 296.415 2.037 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000860095604 645699089 /nfs/dbraw/zinc/69/90/89/645699089.db2.gz HAZINPFNKXNMOP-LBPRGKRZSA-N 2 1 296.415 2.037 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000768163052 646091726 /nfs/dbraw/zinc/09/17/26/646091726.db2.gz RZACVLASLKDIJQ-JYJNAYRXSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000768163052 646091728 /nfs/dbraw/zinc/09/17/28/646091728.db2.gz RZACVLASLKDIJQ-JYJNAYRXSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)ccnc1F ZINC000862366936 646416671 /nfs/dbraw/zinc/41/66/71/646416671.db2.gz PBVIZXWWHYQVQQ-CYBMUJFWSA-N 2 1 265.376 2.349 20 0 CEADMP Cc1c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccnc1F ZINC000862366936 646416676 /nfs/dbraw/zinc/41/66/76/646416676.db2.gz PBVIZXWWHYQVQQ-CYBMUJFWSA-N 2 1 265.376 2.349 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2ccc(F)cc2F)CC[N@H+]1C ZINC000772986200 646692844 /nfs/dbraw/zinc/69/28/44/646692844.db2.gz BMSJUDDXAUZVCC-PVXIVEMSSA-N 2 1 298.377 2.245 20 0 CEADMP OC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000773007829 646695807 /nfs/dbraw/zinc/69/58/07/646695807.db2.gz IISHAPNWTQKJSE-SFHVURJKSA-N 2 1 288.435 2.054 20 0 CEADMP CC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)OCCO1 ZINC000773137433 646710142 /nfs/dbraw/zinc/71/01/42/646710142.db2.gz CERFMOMCWWKANP-UHFFFAOYSA-N 2 1 282.428 2.136 20 0 CEADMP Fc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)c(F)c1 ZINC000863482541 646739749 /nfs/dbraw/zinc/73/97/49/646739749.db2.gz JJEIWTPMTRPYAX-CQSZACIVSA-N 2 1 266.335 2.382 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCC1SCCS1)C2 ZINC000863561340 646756912 /nfs/dbraw/zinc/75/69/12/646756912.db2.gz XJRKGKDIYVNUGH-BETUJISGSA-N 2 1 272.483 2.114 20 0 CEADMP CC(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccnn1C ZINC000774380647 646840692 /nfs/dbraw/zinc/84/06/92/646840692.db2.gz JTPFERZBCZJQNY-WTXIUTQJSA-N 2 1 290.455 2.375 20 0 CEADMP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000864061401 646878199 /nfs/dbraw/zinc/87/81/99/646878199.db2.gz FOTKVWXCCXNEGG-CQSZACIVSA-N 2 1 295.471 2.192 20 0 CEADMP Cc1cccc(C(C)(C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000775442800 646955282 /nfs/dbraw/zinc/95/52/82/646955282.db2.gz IOEQWVZQVDEOAP-INIZCTEOSA-N 2 1 276.424 2.276 20 0 CEADMP C[N@@H+](CCNC(=[NH2+])NCCC1CC1)C1CCCCC1 ZINC000864452342 647008277 /nfs/dbraw/zinc/00/82/77/647008277.db2.gz NJRLGJKZYCJRNU-UHFFFAOYSA-N 2 1 266.433 2.165 20 0 CEADMP CC(C)c1ncc(C[NH2+]CCc2c[nH+]cn2C)s1 ZINC000776263545 647043829 /nfs/dbraw/zinc/04/38/29/647043829.db2.gz DRIOFVPZVLGAMK-UHFFFAOYSA-N 2 1 264.398 2.332 20 0 CEADMP Cc1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(N(C)C)[nH+]1 ZINC000777277096 647124923 /nfs/dbraw/zinc/12/49/23/647124923.db2.gz YVOJEWWSHAIUFL-CHWSQXEVSA-N 2 1 262.401 2.351 20 0 CEADMP Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(N(C)C)[nH+]1 ZINC000777277096 647124927 /nfs/dbraw/zinc/12/49/27/647124927.db2.gz YVOJEWWSHAIUFL-CHWSQXEVSA-N 2 1 262.401 2.351 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(OC(C)(C)C)c2)C1 ZINC000865528746 647342853 /nfs/dbraw/zinc/34/28/53/647342853.db2.gz NJXNYCBEHNWAMX-KRWDZBQOSA-N 2 1 292.423 2.020 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(OC(C)(C)C)c2)C1 ZINC000865528746 647342857 /nfs/dbraw/zinc/34/28/57/647342857.db2.gz NJXNYCBEHNWAMX-KRWDZBQOSA-N 2 1 292.423 2.020 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1N[C@H]1CCc2c[nH+]cn2C1 ZINC000865794901 647466571 /nfs/dbraw/zinc/46/65/71/647466571.db2.gz YORBZOARKJRHLW-VIFPVBQESA-N 2 1 282.269 2.146 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]1CC[NH+]1C1CCCCCC1 ZINC000865805469 647470226 /nfs/dbraw/zinc/47/02/26/647470226.db2.gz ZYBLUIDZKOIENF-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1CC[NH+]1C1CCCCCC1 ZINC000865805469 647470229 /nfs/dbraw/zinc/47/02/29/647470229.db2.gz ZYBLUIDZKOIENF-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865805469 647470231 /nfs/dbraw/zinc/47/02/31/647470231.db2.gz ZYBLUIDZKOIENF-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000865805469 647470234 /nfs/dbraw/zinc/47/02/34/647470234.db2.gz ZYBLUIDZKOIENF-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP Cc1c[nH+]ccc1NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000866195592 647660508 /nfs/dbraw/zinc/66/05/08/647660508.db2.gz YCRKZANKLBWAFL-MRXNPFEDSA-N 2 1 253.349 2.411 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)C1CC1 ZINC000866238614 647686768 /nfs/dbraw/zinc/68/67/68/647686768.db2.gz MEFJMYHDQMXJDI-PMPSAXMXSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000866341132 647744480 /nfs/dbraw/zinc/74/44/80/647744480.db2.gz VTPJIRMVFULXCZ-JLZZUVOBSA-N 2 1 292.398 2.105 20 0 CEADMP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000866341132 647744484 /nfs/dbraw/zinc/74/44/84/647744484.db2.gz VTPJIRMVFULXCZ-JLZZUVOBSA-N 2 1 292.398 2.105 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](O)C2CCCC2)[C@H](C)C1 ZINC000866636306 647850301 /nfs/dbraw/zinc/85/03/01/647850301.db2.gz JGCCPNNQEFARFU-KBMXLJTQSA-N 2 1 268.445 2.248 20 0 CEADMP C([C@@H]1CC[NH2+]C1)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000866702801 647874645 /nfs/dbraw/zinc/87/46/45/647874645.db2.gz AXJFYSIFQPJGQX-GFCCVEGCSA-N 2 1 290.411 2.126 20 0 CEADMP COc1ccc([C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1 ZINC000866705040 647877327 /nfs/dbraw/zinc/87/73/27/647877327.db2.gz ZMEBOAZLVLAHKQ-PBHICJAKSA-N 2 1 290.407 2.068 20 0 CEADMP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)C1SCCS1 ZINC000866718185 647880167 /nfs/dbraw/zinc/88/01/67/647880167.db2.gz YOOHLWUJYJXNGF-NEPJUHHUSA-N 2 1 272.483 2.257 20 0 CEADMP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)C1SCCS1 ZINC000866718185 647880173 /nfs/dbraw/zinc/88/01/73/647880173.db2.gz YOOHLWUJYJXNGF-NEPJUHHUSA-N 2 1 272.483 2.257 20 0 CEADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000785729270 647951464 /nfs/dbraw/zinc/95/14/64/647951464.db2.gz DXGTXUACUVNDNC-KFWWJZLASA-N 2 1 282.428 2.277 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)C1CCOCC1 ZINC000786157647 647989248 /nfs/dbraw/zinc/98/92/48/647989248.db2.gz SPBCVBNYJNFOQJ-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000788816800 648226969 /nfs/dbraw/zinc/22/69/69/648226969.db2.gz HKWKROGIQWTRJD-LLVKDONJSA-N 2 1 260.341 2.033 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc[nH]c(=O)c1 ZINC000791133492 648483553 /nfs/dbraw/zinc/48/35/53/648483553.db2.gz BRBBXAATCDIKOR-YUTCNCBUSA-N 2 1 261.369 2.065 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc[nH]c(=O)c1 ZINC000791133492 648483556 /nfs/dbraw/zinc/48/35/56/648483556.db2.gz BRBBXAATCDIKOR-YUTCNCBUSA-N 2 1 261.369 2.065 20 0 CEADMP c1ccc(C[N@H+]2C[C@H]3CN(CC[NH+]4CCCC4)C[C@H]3C2)cc1 ZINC000791624375 648549617 /nfs/dbraw/zinc/54/96/17/648549617.db2.gz ZEJXLZGDGHOPMG-KDURUIRLSA-N 2 1 299.462 2.146 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)n(C)n1 ZINC000793520389 648768569 /nfs/dbraw/zinc/76/85/69/648768569.db2.gz GIMRGCONRHKANG-JSGCOSHPSA-N 2 1 264.417 2.111 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)ncn1 ZINC000794535156 648879113 /nfs/dbraw/zinc/87/91/13/648879113.db2.gz ZNYSXBIZGCTTTF-UHFFFAOYSA-N 2 1 274.412 2.093 20 0 CEADMP C[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000871153682 649015583 /nfs/dbraw/zinc/01/55/83/649015583.db2.gz QUUNSBLQKWMWOB-RBSFLKMASA-N 2 1 295.471 2.190 20 0 CEADMP C[C@H]1C[C@@H](CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000871784709 649184632 /nfs/dbraw/zinc/18/46/32/649184632.db2.gz IXMNMTVZYYOJTA-UUQIVFDPSA-N 2 1 295.427 2.173 20 0 CEADMP C[C@H]1C[C@@H](CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000871784709 649184634 /nfs/dbraw/zinc/18/46/34/649184634.db2.gz IXMNMTVZYYOJTA-UUQIVFDPSA-N 2 1 295.427 2.173 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)CCO1 ZINC000872028691 649246045 /nfs/dbraw/zinc/24/60/45/649246045.db2.gz SAFNATIKKFEKLY-ZBFHGGJFSA-N 2 1 298.471 2.017 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)CC1(C)C ZINC000872105245 649278672 /nfs/dbraw/zinc/27/86/72/649278672.db2.gz FAUFOCBCRKPWES-QWHCGFSZSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126071 649284871 /nfs/dbraw/zinc/28/48/71/649284871.db2.gz IULKOVZRMDHNSM-LEUOFYLZSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126071 649284875 /nfs/dbraw/zinc/28/48/75/649284875.db2.gz IULKOVZRMDHNSM-LEUOFYLZSA-N 2 1 288.435 2.258 20 0 CEADMP C[N@@H+](C[C@@H]1CC2(CCC2)CO1)C1CCC([NH3+])CC1 ZINC000872141266 649290501 /nfs/dbraw/zinc/29/05/01/649290501.db2.gz AUZXTHZJQODYBB-RUXDESIVSA-N 2 1 252.402 2.147 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CC2(CCC2)CO1 ZINC000872141482 649290821 /nfs/dbraw/zinc/29/08/21/649290821.db2.gz JFVWHCXUYAZMFJ-DKUMPPAJSA-N 2 1 264.413 2.290 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000872142816 649291958 /nfs/dbraw/zinc/29/19/58/649291958.db2.gz FDTTUMBFBUUTNL-KBPBESRZSA-N 2 1 252.402 2.149 20 0 CEADMP C(c1nc2c(o1)CCCC2)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000872142869 649292478 /nfs/dbraw/zinc/29/24/78/649292478.db2.gz HEXSRFCFHTWREY-CQSZACIVSA-N 2 1 289.423 2.375 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)C1CCCCC1 ZINC000872144981 649294356 /nfs/dbraw/zinc/29/43/56/649294356.db2.gz LJQGUWADIUPYFK-YHUYYLMFSA-N 2 1 266.429 2.441 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1C[C@@H]3CCC[C@@H]3O1)CC[NH2+]CC2 ZINC000872145249 649295523 /nfs/dbraw/zinc/29/55/23/649295523.db2.gz QKGXUDYNAVAZCC-UGUYLWEFSA-N 2 1 278.440 2.408 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153212 649297544 /nfs/dbraw/zinc/29/75/44/649297544.db2.gz BZUNSQOXOGARGI-WMLDXEAASA-N 2 1 290.407 2.005 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153212 649297549 /nfs/dbraw/zinc/29/75/49/649297549.db2.gz BZUNSQOXOGARGI-WMLDXEAASA-N 2 1 290.407 2.005 20 0 CEADMP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155761 649299099 /nfs/dbraw/zinc/29/90/99/649299099.db2.gz YUSZYGQFIBFGDF-OAHLLOKOSA-N 2 1 291.439 2.489 20 0 CEADMP c1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C2CC2)c[nH+]1 ZINC000872414902 649385371 /nfs/dbraw/zinc/38/53/71/649385371.db2.gz SYBPWPPXNMUDFN-ZIAGYGMSSA-N 2 1 257.381 2.420 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]cc3C3CC3)CC[C@@H]21 ZINC000872626062 649444171 /nfs/dbraw/zinc/44/41/71/649444171.db2.gz MCFSXYQYADJKNQ-HIFRSBDPSA-N 2 1 257.381 2.489 20 0 CEADMP OCCCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000873205517 649588217 /nfs/dbraw/zinc/58/82/17/649588217.db2.gz NZDXTYDOAIWDBS-UHFFFAOYSA-N 2 1 280.437 2.131 20 0 CEADMP NC[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)C1CCCCC1 ZINC000873210305 649590807 /nfs/dbraw/zinc/59/08/07/649590807.db2.gz BONLDPORDASMOW-OAHLLOKOSA-N 2 1 293.480 2.391 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccnn1C ZINC000873223184 649596632 /nfs/dbraw/zinc/59/66/32/649596632.db2.gz LKSUNZPSTDIMEF-HZSPNIEDSA-N 2 1 264.417 2.382 20 0 CEADMP COCCC1([NH2+]Cc2ccccc2F)CC[NH2+]CC1 ZINC000873224591 649597942 /nfs/dbraw/zinc/59/79/42/649597942.db2.gz HEBXRPSFCVFAQI-UHFFFAOYSA-N 2 1 266.360 2.074 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000873228326 649599283 /nfs/dbraw/zinc/59/92/83/649599283.db2.gz CRKLQGJTLPXGEH-UONOGXRCSA-N 2 1 270.417 2.025 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000873229417 649600225 /nfs/dbraw/zinc/60/02/25/649600225.db2.gz XZOCUFGEPGDLMH-FUHWJXTLSA-N 2 1 296.418 2.426 20 0 CEADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000873229417 649600228 /nfs/dbraw/zinc/60/02/28/649600228.db2.gz XZOCUFGEPGDLMH-FUHWJXTLSA-N 2 1 296.418 2.426 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@H](N)c2ccccc21)C1CC[NH2+]CC1 ZINC000873269849 649619736 /nfs/dbraw/zinc/61/97/36/649619736.db2.gz LMXKRBDGXZQXOW-RLCCDNCMSA-N 2 1 259.397 2.109 20 0 CEADMP Nc1cc(F)cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000873289673 649628910 /nfs/dbraw/zinc/62/89/10/649628910.db2.gz KJJKYHGFEDHJNL-KGLIPLIRSA-N 2 1 251.349 2.158 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878549080 651127012 /nfs/dbraw/zinc/12/70/12/651127012.db2.gz AAWAWBNXVPEBJB-JYJNAYRXSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878549080 651127014 /nfs/dbraw/zinc/12/70/14/651127014.db2.gz AAWAWBNXVPEBJB-JYJNAYRXSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCC(C)(C)CO3)C2)C1 ZINC000878645026 651149885 /nfs/dbraw/zinc/14/98/85/651149885.db2.gz GCWFDZJNTPVAPX-HOCLYGCPSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CCC(C)(C)CO3)C2)C1 ZINC000878645026 651149888 /nfs/dbraw/zinc/14/98/88/651149888.db2.gz GCWFDZJNTPVAPX-HOCLYGCPSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CCC(C)(C)CO3)C2)C1 ZINC000878645026 651149890 /nfs/dbraw/zinc/14/98/90/651149890.db2.gz GCWFDZJNTPVAPX-HOCLYGCPSA-N 2 1 266.429 2.219 20 0 CEADMP COCC[N@@H+](CCC1CC1)CC1CC[NH+](C)CC1 ZINC000879124822 651247024 /nfs/dbraw/zinc/24/70/24/651247024.db2.gz FKRXKWTWHGUKJC-UHFFFAOYSA-N 2 1 254.418 2.077 20 0 CEADMP CCC(=O)CCC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879127151 651247564 /nfs/dbraw/zinc/24/75/64/651247564.db2.gz SGWIDJFXQGSUEP-UHFFFAOYSA-N 2 1 284.444 2.036 20 0 CEADMP COC(=O)C[C@@](C)([NH2+]CCCCn1cc[nH+]c1C)C1CC1 ZINC000879442045 651304685 /nfs/dbraw/zinc/30/46/85/651304685.db2.gz MHYXLKMDXJFNBZ-MRXNPFEDSA-N 2 1 293.411 2.293 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879565027 651322850 /nfs/dbraw/zinc/32/28/50/651322850.db2.gz KHBSQXPHLKBVFE-CHWSQXEVSA-N 2 1 265.426 2.038 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879565027 651322851 /nfs/dbraw/zinc/32/28/51/651322851.db2.gz KHBSQXPHLKBVFE-CHWSQXEVSA-N 2 1 265.426 2.038 20 0 CEADMP C[N@H+]1CC[C@H]2CN(Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000879581145 651326388 /nfs/dbraw/zinc/32/63/88/651326388.db2.gz XDQAKHNDLJBEFD-YJBOKZPZSA-N 2 1 286.419 2.285 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000879581145 651326390 /nfs/dbraw/zinc/32/63/90/651326390.db2.gz XDQAKHNDLJBEFD-YJBOKZPZSA-N 2 1 286.419 2.285 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000879581145 651326392 /nfs/dbraw/zinc/32/63/92/651326392.db2.gz XDQAKHNDLJBEFD-YJBOKZPZSA-N 2 1 286.419 2.285 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000879581145 651326394 /nfs/dbraw/zinc/32/63/94/651326394.db2.gz XDQAKHNDLJBEFD-YJBOKZPZSA-N 2 1 286.419 2.285 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000879581145 651326396 /nfs/dbraw/zinc/32/63/96/651326396.db2.gz XDQAKHNDLJBEFD-YJBOKZPZSA-N 2 1 286.419 2.285 20 0 CEADMP CC(C)C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000879702088 651341332 /nfs/dbraw/zinc/34/13/32/651341332.db2.gz FQBGWIWYICJCNQ-MRXNPFEDSA-N 2 1 268.445 2.465 20 0 CEADMP Cc1nnc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)o1 ZINC000879702544 651341509 /nfs/dbraw/zinc/34/15/09/651341509.db2.gz PGDJUZFFENGPOW-UHFFFAOYSA-N 2 1 280.416 2.178 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1C ZINC000880134527 651388292 /nfs/dbraw/zinc/38/82/92/651388292.db2.gz SWHOSFMMAOPTIQ-HOTGVXAUSA-N 2 1 289.423 2.376 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1C ZINC000880134527 651388293 /nfs/dbraw/zinc/38/82/93/651388293.db2.gz SWHOSFMMAOPTIQ-HOTGVXAUSA-N 2 1 289.423 2.376 20 0 CEADMP Cc1ccnc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC000880258842 651411263 /nfs/dbraw/zinc/41/12/63/651411263.db2.gz CYPGXNKTEVFTLO-OAHLLOKOSA-N 2 1 282.391 2.496 20 0 CEADMP Cc1ccnc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC000880258842 651411264 /nfs/dbraw/zinc/41/12/64/651411264.db2.gz CYPGXNKTEVFTLO-OAHLLOKOSA-N 2 1 282.391 2.496 20 0 CEADMP CCOCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262634 651412622 /nfs/dbraw/zinc/41/26/22/651412622.db2.gz QXSFKXJGHOJDFB-AWEZNQCLSA-N 2 1 263.385 2.019 20 0 CEADMP CC(C)[NH+]1CCC(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000881334320 651688460 /nfs/dbraw/zinc/68/84/60/651688460.db2.gz OKSGLPXIKKFRTJ-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000882916821 652268281 /nfs/dbraw/zinc/26/82/81/652268281.db2.gz XSJATOXRIGDGLH-FICVDOATSA-N 2 1 266.429 2.002 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000882991294 652310144 /nfs/dbraw/zinc/31/01/44/652310144.db2.gz UALKFOSXYNKRJD-YYIAUSFCSA-N 2 1 280.456 2.392 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CCOCC1 ZINC000882999836 652315894 /nfs/dbraw/zinc/31/58/94/652315894.db2.gz ATEJWFPPLWGQRQ-FICVDOATSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccns2)[C@H]2CCC[C@@H]21 ZINC000883247316 652413452 /nfs/dbraw/zinc/41/34/52/652413452.db2.gz GIUDGWGZWAUUKI-RDBSUJKOSA-N 2 1 265.426 2.148 20 0 CEADMP C1CO[C@@]2(C1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883368260 652446697 /nfs/dbraw/zinc/44/66/97/652446697.db2.gz LTUHTHDGWGQADA-YHUYYLMFSA-N 2 1 264.413 2.305 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000131750922 652459767 /nfs/dbraw/zinc/45/97/67/652459767.db2.gz FXASPQRICUTLFY-HSBZDZAISA-N 2 1 299.459 2.362 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)C1CCCCC1 ZINC000883429680 652467205 /nfs/dbraw/zinc/46/72/05/652467205.db2.gz BNFZWARQLVZYIT-CVEARBPZSA-N 2 1 296.455 2.212 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1CC[C@@H](c3ccccc3)O1)C2 ZINC000883441485 652471351 /nfs/dbraw/zinc/47/13/51/652471351.db2.gz PPPDHAGQWIHGFK-XLAORIBOSA-N 2 1 286.419 2.448 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000883442897 652471382 /nfs/dbraw/zinc/47/13/82/652471382.db2.gz VNHDBQHCRWXDNY-IHRRRGAJSA-N 2 1 283.460 2.177 20 0 CEADMP Cc1ccc2c(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cc(=O)oc2c1 ZINC000132381717 652517026 /nfs/dbraw/zinc/51/70/26/652517026.db2.gz MEQFWLYTGUEHQA-CHWSQXEVSA-N 2 1 286.375 2.271 20 0 CEADMP CCCC[N@@H+](C)CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925482132 652614637 /nfs/dbraw/zinc/61/46/37/652614637.db2.gz LLJOQIKVLZEMNO-KGLIPLIRSA-N 2 1 255.450 2.214 20 0 CEADMP CCCCN(C)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925482132 652614640 /nfs/dbraw/zinc/61/46/40/652614640.db2.gz LLJOQIKVLZEMNO-KGLIPLIRSA-N 2 1 255.450 2.214 20 0 CEADMP CCc1nc(N2CCC(C[NH+](C)C)CC2)cc(C)[nH+]1 ZINC000341720760 721949194 /nfs/dbraw/zinc/94/91/94/721949194.db2.gz IWFSFJOOPXLMND-UHFFFAOYSA-N 2 1 262.401 2.125 20 0 CEADMP C[C@@H]1CN(c2[nH+]ccc3c2ccn3C)[C@@H](C)C[N@H+]1C ZINC001164642383 719174053 /nfs/dbraw/zinc/17/40/53/719174053.db2.gz YCFULWNHTXDFSY-NEPJUHHUSA-N 2 1 258.369 2.102 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168008582 805676558 /nfs/dbraw/zinc/67/65/58/805676558.db2.gz XMHLXCWECGUSFY-IVSAIRAKSA-N 2 1 276.424 2.398 20 0 CEADMP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001271103016 805740563 /nfs/dbraw/zinc/74/05/63/805740563.db2.gz TZLWEENNMLVAFC-UWUBPMADSA-N 2 1 295.471 2.121 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(CN2CC[C@](C)([NH3+])C2)cc1 ZINC001204770218 805781529 /nfs/dbraw/zinc/78/15/29/805781529.db2.gz BVUCGTNIRLUXLC-INIZCTEOSA-N 2 1 270.380 2.104 20 0 CEADMP C[C@@H]1C[C@@H](n2cnc(C[NH3+])n2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168022520 805789907 /nfs/dbraw/zinc/78/99/07/805789907.db2.gz SWRPQLHGJCDJQU-MIFYACCESA-N 2 1 299.422 2.351 20 0 CEADMP C[C@@H]1C[C@@H](n2cnc(C[NH3+])n2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168022520 805789914 /nfs/dbraw/zinc/78/99/14/805789914.db2.gz SWRPQLHGJCDJQU-MIFYACCESA-N 2 1 299.422 2.351 20 0 CEADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@H]2C[C@@]2(O)C1 ZINC000895645241 805834455 /nfs/dbraw/zinc/83/44/55/805834455.db2.gz AQAPFFAJLUORJJ-SJLPKXTDSA-N 2 1 288.435 2.211 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@H]2C[C@@]2(O)C1 ZINC000895645241 805834470 /nfs/dbraw/zinc/83/44/70/805834470.db2.gz AQAPFFAJLUORJJ-SJLPKXTDSA-N 2 1 288.435 2.211 20 0 CEADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895645241 805834479 /nfs/dbraw/zinc/83/44/79/805834479.db2.gz AQAPFFAJLUORJJ-SJLPKXTDSA-N 2 1 288.435 2.211 20 0 CEADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895645241 805834489 /nfs/dbraw/zinc/83/44/89/805834489.db2.gz AQAPFFAJLUORJJ-SJLPKXTDSA-N 2 1 288.435 2.211 20 0 CEADMP CC(C)[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001088316972 806112044 /nfs/dbraw/zinc/11/20/44/806112044.db2.gz OJCSGJFAGUCSMN-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001088316971 806112881 /nfs/dbraw/zinc/11/28/81/806112881.db2.gz OJCSGJFAGUCSMN-BZUAXINKSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC)C1 ZINC001088323794 806118571 /nfs/dbraw/zinc/11/85/71/806118571.db2.gz ZCOKMHYTOJKMRT-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@@H+]1C[C@H]2CN(Cc3[nH]cnc3C(C)(C)C)C[C@H]2C1 ZINC001142238336 806230511 /nfs/dbraw/zinc/23/05/11/806230511.db2.gz ONKQBNWGJQPMGD-OKILXGFUSA-N 2 1 290.455 2.481 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)C(C)C)C1 ZINC001029910299 806285650 /nfs/dbraw/zinc/28/56/50/806285650.db2.gz DJESCROXTKATRT-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)C(C)C)C1 ZINC001029910299 806285654 /nfs/dbraw/zinc/28/56/54/806285654.db2.gz DJESCROXTKATRT-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC001029910299 806285659 /nfs/dbraw/zinc/28/56/59/806285659.db2.gz DJESCROXTKATRT-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP COc1ccc2c(c1)C[C@H](n1cc[nH+]c1CCC[NH3+])C2 ZINC001168261075 806450476 /nfs/dbraw/zinc/45/04/76/806450476.db2.gz SDUXQOFJBXYEAZ-CQSZACIVSA-N 2 1 271.364 2.123 20 0 CEADMP CCOC(=O)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H](C)CC ZINC001168303913 806639191 /nfs/dbraw/zinc/63/91/91/806639191.db2.gz GHHNWNOZAJFPAR-VXGQWTEUSA-N 2 1 284.444 2.427 20 0 CEADMP C[NH+](C)C1CCC(N2CC([NH+]3CCCCC3)C2)CC1 ZINC001168327679 806657096 /nfs/dbraw/zinc/65/70/96/806657096.db2.gz RBPGLWUBPFTOPA-UHFFFAOYSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)Cc2cscn2)CC1 ZINC001168327589 806658481 /nfs/dbraw/zinc/65/84/81/806658481.db2.gz OYZKMHIIJBOJLF-UHFFFAOYSA-N 2 1 253.415 2.448 20 0 CEADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC000692932227 802316825 /nfs/dbraw/zinc/31/68/25/802316825.db2.gz HNIZGQHRTHOOJT-FFHGMXDLSA-N 2 1 259.397 2.400 20 0 CEADMP CCC[N@H+](C[C@H]1CCC[NH+](C)C1)C1CCOCC1 ZINC001208614534 802393469 /nfs/dbraw/zinc/39/34/69/802393469.db2.gz DVIACUBTCXHBEG-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C1CCOCC1 ZINC001208614534 802393479 /nfs/dbraw/zinc/39/34/79/802393479.db2.gz DVIACUBTCXHBEG-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C[C@H]1CCC[N@H+](C)C1)C1CCOCC1 ZINC001208614534 802393489 /nfs/dbraw/zinc/39/34/89/802393489.db2.gz DVIACUBTCXHBEG-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC001208614534 802393495 /nfs/dbraw/zinc/39/34/95/802393495.db2.gz DVIACUBTCXHBEG-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP COCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001209050792 802463667 /nfs/dbraw/zinc/46/36/67/802463667.db2.gz WTGKUAIOUNCESV-HDICACEKSA-N 2 1 288.435 2.395 20 0 CEADMP COCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001209050792 802463670 /nfs/dbraw/zinc/46/36/70/802463670.db2.gz WTGKUAIOUNCESV-HDICACEKSA-N 2 1 288.435 2.395 20 0 CEADMP COCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001209050792 802463674 /nfs/dbraw/zinc/46/36/74/802463674.db2.gz WTGKUAIOUNCESV-HDICACEKSA-N 2 1 288.435 2.395 20 0 CEADMP C[C@H](CO)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121096559 802611157 /nfs/dbraw/zinc/61/11/57/802611157.db2.gz YNYNEGOWCQJUGZ-RDJZCZTQSA-N 2 1 276.424 2.069 20 0 CEADMP C[C@H](CO)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121096559 802611160 /nfs/dbraw/zinc/61/11/60/802611160.db2.gz YNYNEGOWCQJUGZ-RDJZCZTQSA-N 2 1 276.424 2.069 20 0 CEADMP C[C@H](CO)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121096559 802611162 /nfs/dbraw/zinc/61/11/62/802611162.db2.gz YNYNEGOWCQJUGZ-RDJZCZTQSA-N 2 1 276.424 2.069 20 0 CEADMP C[N@@H+](C[C@H]1CC[C@H](C(F)(F)F)O1)C1CCC([NH3+])CC1 ZINC000721425408 802615482 /nfs/dbraw/zinc/61/54/82/802615482.db2.gz JIWKMZZWEUNHQS-KIDURHIOSA-N 2 1 280.334 2.298 20 0 CEADMP CCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001266488536 802627631 /nfs/dbraw/zinc/62/76/31/802627631.db2.gz KZIBRNMPINBXGF-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000721427548 802627888 /nfs/dbraw/zinc/62/78/88/802627888.db2.gz QNWFDQZBJSQRDJ-IRCOFANPSA-N 2 1 280.334 2.156 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000721427548 802627890 /nfs/dbraw/zinc/62/78/90/802627890.db2.gz QNWFDQZBJSQRDJ-IRCOFANPSA-N 2 1 280.334 2.156 20 0 CEADMP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001266514899 802665064 /nfs/dbraw/zinc/66/50/64/802665064.db2.gz IZKRJVNDXMGVJB-XFCCUVRLSA-N 2 1 293.455 2.018 20 0 CEADMP C[N@@H+](C[C@H]1CC[C@@H](C(F)(F)F)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000721446170 802782208 /nfs/dbraw/zinc/78/22/08/802782208.db2.gz GESXQDUOMHMCHN-KTCIRNNBSA-N 2 1 292.345 2.311 20 0 CEADMP CC(C)=CC[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167476498 802898772 /nfs/dbraw/zinc/89/87/72/802898772.db2.gz XZWOJMPFUVVDFN-UHFFFAOYSA-N 2 1 292.427 2.069 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723640131 802913365 /nfs/dbraw/zinc/91/33/65/802913365.db2.gz OXAMDNQWEDFJOK-ARFHVFGLSA-N 2 1 277.412 2.376 20 0 CEADMP Cc1nc(C)c(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)o1 ZINC000723651344 802916793 /nfs/dbraw/zinc/91/67/93/802916793.db2.gz UBBDBOAMXMAOBQ-KWBADKCTSA-N 2 1 251.374 2.097 20 0 CEADMP C[C@@H]1CCC[N@H+](Cc2ncc(Cl)n2C)[C@@H]1CCC[NH3+] ZINC000693458087 802925770 /nfs/dbraw/zinc/92/57/70/802925770.db2.gz HWKMBDPEJUAVKC-VXGBXAGGSA-N 2 1 284.835 2.413 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ncc(Cl)n2C)[C@@H]1CCC[NH3+] ZINC000693458087 802925771 /nfs/dbraw/zinc/92/57/71/802925771.db2.gz HWKMBDPEJUAVKC-VXGBXAGGSA-N 2 1 284.835 2.413 20 0 CEADMP CCCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266894008 802975012 /nfs/dbraw/zinc/97/50/12/802975012.db2.gz FWZDXJTVFFTFGM-HZPDHXFCSA-N 2 1 297.487 2.345 20 0 CEADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@H]1CCCOC1 ZINC000723974545 802980670 /nfs/dbraw/zinc/98/06/70/802980670.db2.gz AETOKIMFBDSRFJ-ZFWWWQNUSA-N 2 1 265.401 2.148 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001207275397 803102592 /nfs/dbraw/zinc/10/25/92/803102592.db2.gz MVMCTQBJPQONAX-CYBMUJFWSA-N 2 1 296.377 2.354 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001207275397 803102597 /nfs/dbraw/zinc/10/25/97/803102597.db2.gz MVMCTQBJPQONAX-CYBMUJFWSA-N 2 1 296.377 2.354 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000693584967 803138375 /nfs/dbraw/zinc/13/83/75/803138375.db2.gz GHKFYKPXTJFVCM-OKZBNKHCSA-N 3 1 287.451 2.178 20 0 CEADMP C[NH+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000693584967 803138379 /nfs/dbraw/zinc/13/83/79/803138379.db2.gz GHKFYKPXTJFVCM-OKZBNKHCSA-N 3 1 287.451 2.178 20 0 CEADMP C[NH+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000693584967 803138387 /nfs/dbraw/zinc/13/83/87/803138387.db2.gz GHKFYKPXTJFVCM-OKZBNKHCSA-N 3 1 287.451 2.178 20 0 CEADMP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000693584967 803138388 /nfs/dbraw/zinc/13/83/88/803138388.db2.gz GHKFYKPXTJFVCM-OKZBNKHCSA-N 2 1 287.451 2.178 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000693584967 803138391 /nfs/dbraw/zinc/13/83/91/803138391.db2.gz GHKFYKPXTJFVCM-OKZBNKHCSA-N 2 1 287.451 2.178 20 0 CEADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCO[C@H]4C[C@H]43)CC2)cc1 ZINC001207294695 803141835 /nfs/dbraw/zinc/14/18/35/803141835.db2.gz RLPPVMFQLJNLFG-MSOLQXFVSA-N 2 1 286.419 2.372 20 0 CEADMP CC(=O)CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001167630606 803219662 /nfs/dbraw/zinc/21/96/62/803219662.db2.gz XUFMHOITQPEKMR-AWEZNQCLSA-N 2 1 286.379 2.352 20 0 CEADMP CC/C=C/CC[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001267210783 803234929 /nfs/dbraw/zinc/23/49/29/803234929.db2.gz NBGDMVWVPBCVBS-VOTSOKGWSA-N 2 1 295.471 2.265 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H](O)CC2CCCC2)[C@@H]1CC[NH3+] ZINC000404285962 803240251 /nfs/dbraw/zinc/24/02/51/803240251.db2.gz HVADJHFNXWFVSX-FVQBIDKESA-N 2 1 268.445 2.377 20 0 CEADMP CC(C)=CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001267220911 803245347 /nfs/dbraw/zinc/24/53/47/803245347.db2.gz LTXKZGAEIQNFOY-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[NH+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001267220911 803245352 /nfs/dbraw/zinc/24/53/52/803245352.db2.gz LTXKZGAEIQNFOY-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[NH+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267220911 803245353 /nfs/dbraw/zinc/24/53/53/803245353.db2.gz LTXKZGAEIQNFOY-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP C(CC1SCCS1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000693791928 803318937 /nfs/dbraw/zinc/31/89/37/803318937.db2.gz SOUMSJNBHSBPFM-VXGBXAGGSA-N 2 1 272.483 2.399 20 0 CEADMP CCCCCC[C@H](C)[N@@H+]1C[C@H]([NH3+])C[C@@H](C(=O)OC)C1 ZINC001246798381 814261260 /nfs/dbraw/zinc/26/12/60/814261260.db2.gz TXTDRVFDRKBDSK-BFHYXJOUSA-N 2 1 270.417 2.168 20 0 CEADMP CCCCCC[C@H](C)[N@H+]1C[C@H]([NH3+])C[C@@H](C(=O)OC)C1 ZINC001246798381 814261261 /nfs/dbraw/zinc/26/12/61/814261261.db2.gz TXTDRVFDRKBDSK-BFHYXJOUSA-N 2 1 270.417 2.168 20 0 CEADMP CCN1CC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000712583502 814755271 /nfs/dbraw/zinc/75/52/71/814755271.db2.gz ZRGNCGKJJXASBW-SFHVURJKSA-N 2 1 287.451 2.335 20 0 CEADMP N=C1C=C(C[NH3+])C=C[N@@H+]1c1cc2c3c(c1)CCCN3CCC2 ZINC001167692137 803528494 /nfs/dbraw/zinc/52/84/94/803528494.db2.gz LHDJIVNSJAFHBK-UHFFFAOYSA-N 2 1 294.402 2.114 20 0 CEADMP N=C1C=C(C[NH3+])C=C[N@H+]1c1cc2c3c(c1)CCCN3CCC2 ZINC001167692137 803528497 /nfs/dbraw/zinc/52/84/97/803528497.db2.gz LHDJIVNSJAFHBK-UHFFFAOYSA-N 2 1 294.402 2.114 20 0 CEADMP COC[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C)CC1 ZINC001207479772 803734105 /nfs/dbraw/zinc/73/41/05/803734105.db2.gz NLDPGFVAVGIZTE-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](C[C@@H](O)c2ccccc2)[C@@H]1C ZINC000692628848 803737304 /nfs/dbraw/zinc/73/73/04/803737304.db2.gz URXZLRGOASYZHX-LUYZLQTOSA-N 2 1 262.397 2.168 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](C[C@@H](O)c2ccccc2)[C@@H]1C ZINC000692628848 803737306 /nfs/dbraw/zinc/73/73/06/803737306.db2.gz URXZLRGOASYZHX-LUYZLQTOSA-N 2 1 262.397 2.168 20 0 CEADMP C[C@H]([NH3+])[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccccc1 ZINC000925607995 803778056 /nfs/dbraw/zinc/77/80/56/803778056.db2.gz SJYJKWOKYHVPDU-WMHQRMGPSA-N 2 1 262.397 2.216 20 0 CEADMP COc1[nH+]ccc(NCCC[N@@H+]2CCCC[C@@H]2C)c1N ZINC001167752262 803837899 /nfs/dbraw/zinc/83/78/99/803837899.db2.gz STGAAMJWWDGUEB-LBPRGKRZSA-N 2 1 278.400 2.349 20 0 CEADMP COc1[nH+]ccc(NCCC[N@H+]2CCCC[C@@H]2C)c1N ZINC001167752262 803837907 /nfs/dbraw/zinc/83/79/07/803837907.db2.gz STGAAMJWWDGUEB-LBPRGKRZSA-N 2 1 278.400 2.349 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](OCc3ccccc3)C2)CC[NH2+]1 ZINC000709452253 803866782 /nfs/dbraw/zinc/86/67/82/803866782.db2.gz PYBXYGPTUSBRNV-DJIMGWMZSA-N 2 1 274.408 2.418 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CCC1CCCC1 ZINC001267997901 803896112 /nfs/dbraw/zinc/89/61/12/803896112.db2.gz GTZUSEWFQUWDKA-GOEBONIOSA-N 2 1 295.471 2.003 20 0 CEADMP [NH3+]CC1(F)CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC001222542897 803897812 /nfs/dbraw/zinc/89/78/12/803897812.db2.gz MIWHRZDGBMSUME-UHFFFAOYSA-N 2 1 291.292 2.363 20 0 CEADMP COC(=O)c1csc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000715582011 814974812 /nfs/dbraw/zinc/97/48/12/814974812.db2.gz WCIZWZHKKXRQDX-STQMWFEESA-N 2 1 296.436 2.497 20 0 CEADMP C[NH+](C)C1(C)CCC([NH2+][C@@H]2C[C@@H](N)C23CCC3)CC1 ZINC000715566768 814979888 /nfs/dbraw/zinc/97/98/88/814979888.db2.gz BFKIQGZUUWGUDL-PIOWNMBXSA-N 2 1 265.445 2.109 20 0 CEADMP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000715575052 814979903 /nfs/dbraw/zinc/97/99/03/814979903.db2.gz WHJGBHFJRQHWNX-GMRIPVOYSA-N 3 1 279.472 2.466 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001027694687 804197770 /nfs/dbraw/zinc/19/77/70/804197770.db2.gz HTNAMMRFPSTFDZ-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001027694687 804197777 /nfs/dbraw/zinc/19/77/77/804197777.db2.gz HTNAMMRFPSTFDZ-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001027694687 804197782 /nfs/dbraw/zinc/19/77/82/804197782.db2.gz HTNAMMRFPSTFDZ-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027795375 804261764 /nfs/dbraw/zinc/26/17/64/804261764.db2.gz UFAHYZFDOODTEA-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001027878582 804316153 /nfs/dbraw/zinc/31/61/53/804316153.db2.gz DQUQQEOSXUSEGM-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001027878582 804316164 /nfs/dbraw/zinc/31/61/64/804316164.db2.gz DQUQQEOSXUSEGM-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001027878582 804316172 /nfs/dbraw/zinc/31/61/72/804316172.db2.gz DQUQQEOSXUSEGM-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CCOC(=O)[C@H]1CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167824233 804378525 /nfs/dbraw/zinc/37/85/25/804378525.db2.gz CTPTZTUEWYPYBR-GJZGRUSLSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001167826098 804385745 /nfs/dbraw/zinc/38/57/45/804385745.db2.gz WIVUXDGYDWNPPE-ZACQAIPSSA-N 3 1 281.488 2.380 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001167826098 804385753 /nfs/dbraw/zinc/38/57/53/804385753.db2.gz WIVUXDGYDWNPPE-ZACQAIPSSA-N 3 1 281.488 2.380 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001167826098 804385761 /nfs/dbraw/zinc/38/57/61/804385761.db2.gz WIVUXDGYDWNPPE-ZACQAIPSSA-N 3 1 281.488 2.380 20 0 CEADMP CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268086979 804398762 /nfs/dbraw/zinc/39/87/62/804398762.db2.gz NQNYWIVKLKORPU-HZPDHXFCSA-N 2 1 297.487 2.486 20 0 CEADMP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268093487 804419187 /nfs/dbraw/zinc/41/91/87/804419187.db2.gz IXEHBLZVJMTGHB-GJZGRUSLSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037153854 815020996 /nfs/dbraw/zinc/02/09/96/815020996.db2.gz BZDQFGLUEVKWFI-WZYMTQMTSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC1CC(C)(C)C1 ZINC001127079240 807010785 /nfs/dbraw/zinc/01/07/85/807010785.db2.gz ZWIWDRCVYBGURS-OAHLLOKOSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028180500 804517906 /nfs/dbraw/zinc/51/79/06/804517906.db2.gz BAFKYDMCYWCAHZ-HOTGVXAUSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001028180500 804517913 /nfs/dbraw/zinc/51/79/13/804517913.db2.gz BAFKYDMCYWCAHZ-HOTGVXAUSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001028180500 804517918 /nfs/dbraw/zinc/51/79/18/804517918.db2.gz BAFKYDMCYWCAHZ-HOTGVXAUSA-N 2 1 295.471 2.238 20 0 CEADMP CC/C=C\CCN1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001268326607 804611887 /nfs/dbraw/zinc/61/18/87/804611887.db2.gz GLTZLBCGSJTUOP-AWFCHZOYSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001268326607 804611894 /nfs/dbraw/zinc/61/18/94/804611894.db2.gz GLTZLBCGSJTUOP-AWFCHZOYSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001268326607 804611896 /nfs/dbraw/zinc/61/18/96/804611896.db2.gz GLTZLBCGSJTUOP-AWFCHZOYSA-N 2 1 293.455 2.018 20 0 CEADMP CCCCCC[NH+]1CC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001268482938 804739151 /nfs/dbraw/zinc/73/91/51/804739151.db2.gz BQFZFILUHPCNRH-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001268844875 804987712 /nfs/dbraw/zinc/98/77/12/804987712.db2.gz ZNELYGVYUGETEE-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CCC(C)C ZINC001268962142 805013113 /nfs/dbraw/zinc/01/31/13/805013113.db2.gz MTFQLEGCXLKYCY-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP CC/C=C/CC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001269344133 805136813 /nfs/dbraw/zinc/13/68/13/805136813.db2.gz BCUMDAFFMSKYHH-KXPUMZMLSA-N 2 1 295.471 2.217 20 0 CEADMP CCCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001269792545 805256115 /nfs/dbraw/zinc/25/61/15/805256115.db2.gz FJVMRNXIYXUWMW-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccco1 ZINC001167958039 805285674 /nfs/dbraw/zinc/28/56/74/805285674.db2.gz BJBJNRKNFMPNEY-WTXIUTQJSA-N 2 1 290.407 2.308 20 0 CEADMP COCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958691 805292585 /nfs/dbraw/zinc/29/25/85/805292585.db2.gz IDYRTGYVBIEHLK-GOOCMWNKSA-N 2 1 252.402 2.018 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CCOCC1 ZINC001167959427 805302731 /nfs/dbraw/zinc/30/27/31/805302731.db2.gz PHHHFGDXXQNKCQ-ALOPSCKCSA-N 2 1 278.440 2.408 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845569 805303145 /nfs/dbraw/zinc/30/31/45/805303145.db2.gz MTBBMFBNVKFOMR-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845569 805303152 /nfs/dbraw/zinc/30/31/52/805303152.db2.gz MTBBMFBNVKFOMR-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845569 805303162 /nfs/dbraw/zinc/30/31/62/805303162.db2.gz MTBBMFBNVKFOMR-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CCOC(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)OCC ZINC001167960776 805334060 /nfs/dbraw/zinc/33/40/60/805334060.db2.gz BZXICHNIPLSWPX-MQVJKMGUSA-N 2 1 296.455 2.381 20 0 CEADMP CCOC(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)OCC ZINC001167960776 805334070 /nfs/dbraw/zinc/33/40/70/805334070.db2.gz BZXICHNIPLSWPX-MQVJKMGUSA-N 2 1 296.455 2.381 20 0 CEADMP CCCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001270137148 805353188 /nfs/dbraw/zinc/35/31/88/805353188.db2.gz VFSPPVKQZIFZLK-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001270184738 805364951 /nfs/dbraw/zinc/36/49/51/805364951.db2.gz RVHOPIGHRQJKQD-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP OCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1 ZINC001167963915 805443503 /nfs/dbraw/zinc/44/35/03/805443503.db2.gz IBSLIHXLEZWSDM-MQVJKMGUSA-N 2 1 278.440 2.144 20 0 CEADMP CC(C)N(CC[NH3+])C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964041 805443535 /nfs/dbraw/zinc/44/35/35/805443535.db2.gz LUKQXHXBPNVNRQ-XYPWUTKMSA-N 2 1 265.445 2.061 20 0 CEADMP O=c1[nH]cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167970530 805498082 /nfs/dbraw/zinc/49/80/82/805498082.db2.gz MJFHTSKHFQXMFK-MQVJKMGUSA-N 2 1 287.407 2.282 20 0 CEADMP O=c1[nH]cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167970530 805498087 /nfs/dbraw/zinc/49/80/87/805498087.db2.gz MJFHTSKHFQXMFK-MQVJKMGUSA-N 2 1 287.407 2.282 20 0 CEADMP CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167982171 805516835 /nfs/dbraw/zinc/51/68/35/805516835.db2.gz ZCZJFDXNSYMYHK-SJPCQFCGSA-N 2 1 277.456 2.029 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCC3(CCC3)CO1)C2 ZINC000716268704 815108826 /nfs/dbraw/zinc/10/88/26/815108826.db2.gz YPBURAZMZRWVQG-LJISPDSOSA-N 2 1 264.413 2.147 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H](C)CO1 ZINC000403764088 807353678 /nfs/dbraw/zinc/35/36/78/807353678.db2.gz PJDNEBRWHDJCGL-BBRMVZONSA-N 2 1 274.408 2.332 20 0 CEADMP CO[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000699281744 807670283 /nfs/dbraw/zinc/67/02/83/807670283.db2.gz JVRQINCOIRAXOK-MNFFZHCASA-N 2 1 252.402 2.016 20 0 CEADMP CCO[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699282565 807670945 /nfs/dbraw/zinc/67/09/45/807670945.db2.gz OHYJMCYFPWKGKP-DKUMPPAJSA-N 2 1 252.402 2.018 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCC(C)C)[C@H](C)C1 ZINC001106908323 808103317 /nfs/dbraw/zinc/10/33/17/808103317.db2.gz WLBYBRVXEQLMFW-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]C[C@@H](C)CC ZINC001127674484 808185127 /nfs/dbraw/zinc/18/51/27/808185127.db2.gz IOBGANVRIGBVHJ-KBPBESRZSA-N 2 1 294.443 2.149 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000687573797 808346176 /nfs/dbraw/zinc/34/61/76/808346176.db2.gz ZBBDFGBXHDHFNX-NSHDSACASA-N 2 1 268.323 2.159 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H]2CO)CC1(C)C ZINC001171631943 815201934 /nfs/dbraw/zinc/20/19/34/815201934.db2.gz QQGQJDMDNXPOCB-GFCCVEGCSA-N 2 1 254.418 2.095 20 0 CEADMP CCN(CC)C(=O)[C@H](C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619072 815205033 /nfs/dbraw/zinc/20/50/33/815205033.db2.gz GUEXBVGRPCIJGZ-ZDUSSCGKSA-N 2 1 297.487 2.484 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC23CCCC3)CC[N@@H+]1C ZINC001120249145 815207110 /nfs/dbraw/zinc/20/71/10/815207110.db2.gz GDWCIICNAPNGTN-MGPQQGTHSA-N 2 1 252.402 2.160 20 0 CEADMP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1(C)C ZINC001171625979 815207100 /nfs/dbraw/zinc/20/71/00/815207100.db2.gz QMWLKVIFIWNDPV-STQMWFEESA-N 3 1 267.461 2.497 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC23CCCC3)CC[N@H+]1C ZINC001120249145 815207116 /nfs/dbraw/zinc/20/71/16/815207116.db2.gz GDWCIICNAPNGTN-MGPQQGTHSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC001120362608 815216709 /nfs/dbraw/zinc/21/67/09/815216709.db2.gz AWOKSQRPOWLBBS-VNNHIJIPSA-N 2 1 266.454 2.343 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CCC1CCCC1 ZINC001171731317 815219422 /nfs/dbraw/zinc/21/94/22/815219422.db2.gz BYLOYMPSKGCBQJ-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP C[C@@H]1C[C@H](N(C)CC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC001171747207 815223482 /nfs/dbraw/zinc/22/34/82/815223482.db2.gz XXJQIJJIUKCKMA-WBVHZDCISA-N 2 1 275.440 2.143 20 0 CEADMP C=Cc1ccc(CNc2nc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC001168571633 808640956 /nfs/dbraw/zinc/64/09/56/808640956.db2.gz ANULRMRYEGPINT-UHFFFAOYSA-N 2 1 295.390 2.141 20 0 CEADMP Cc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc[nH+]c1N ZINC001212401647 808748620 /nfs/dbraw/zinc/74/86/20/808748620.db2.gz CZQHOYNNRYYEFO-UHFFFAOYSA-N 2 1 297.406 2.468 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2cc(F)cnc2Cl)CC1 ZINC001205033936 808850236 /nfs/dbraw/zinc/85/02/36/808850236.db2.gz XQDYBFCUOPFXRM-UHFFFAOYSA-N 2 1 257.740 2.045 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171806493 815241739 /nfs/dbraw/zinc/24/17/39/815241739.db2.gz GLIVEWAHZBAVDZ-RHSMWYFYSA-N 2 1 274.383 2.321 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171806493 815241742 /nfs/dbraw/zinc/24/17/42/815241742.db2.gz GLIVEWAHZBAVDZ-RHSMWYFYSA-N 2 1 274.383 2.321 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171806493 815241745 /nfs/dbraw/zinc/24/17/45/815241745.db2.gz GLIVEWAHZBAVDZ-RHSMWYFYSA-N 2 1 274.383 2.321 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963012 815253397 /nfs/dbraw/zinc/25/33/97/815253397.db2.gz GNKMJSMKYCPTND-GDBMZVCRSA-N 2 1 276.424 2.400 20 0 CEADMP CC1(C)C[C@@H](N2CC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001171968502 815253937 /nfs/dbraw/zinc/25/39/37/815253937.db2.gz QPNBFBFIGIFQMM-SJORKVTESA-N 2 1 287.451 2.463 20 0 CEADMP CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223667 809239988 /nfs/dbraw/zinc/23/99/88/809239988.db2.gz SROKVTXEKNTEGI-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033223667 809239991 /nfs/dbraw/zinc/23/99/91/809239991.db2.gz SROKVTXEKNTEGI-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033223667 809239992 /nfs/dbraw/zinc/23/99/92/809239992.db2.gz SROKVTXEKNTEGI-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP COC(=O)C1(C)CCC([NH2+]CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001168752568 809274069 /nfs/dbraw/zinc/27/40/69/809274069.db2.gz OJMKASWEQLYFFY-BBBYJDLNSA-N 2 1 282.428 2.182 20 0 CEADMP CCN1CC[C@@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172039379 815276262 /nfs/dbraw/zinc/27/62/62/815276262.db2.gz QQEJEFPBSRAYKJ-BZUAXINKSA-N 2 1 295.471 2.225 20 0 CEADMP CC1CC[NH+](CCN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172100123 815284448 /nfs/dbraw/zinc/28/44/48/815284448.db2.gz NBZPLWLSDXIGHD-OSYLJGHBSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](CCO)C1)C2 ZINC001172125342 815285694 /nfs/dbraw/zinc/28/56/94/815285694.db2.gz PPKXBGSVFKEMPT-WCVJEAGWSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](CCO)C1)C2 ZINC001172125342 815285696 /nfs/dbraw/zinc/28/56/96/815285696.db2.gz PPKXBGSVFKEMPT-WCVJEAGWSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](CCO)C1)C2 ZINC001172125342 815285702 /nfs/dbraw/zinc/28/57/02/815285702.db2.gz PPKXBGSVFKEMPT-WCVJEAGWSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](CCO)C1)C2 ZINC001172125342 815285705 /nfs/dbraw/zinc/28/57/05/815285705.db2.gz PPKXBGSVFKEMPT-WCVJEAGWSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3ccncc3C1)C2 ZINC001172126813 815287516 /nfs/dbraw/zinc/28/75/16/815287516.db2.gz YFPKUQAXQNVFRS-MUJYYYPQSA-N 2 1 257.381 2.413 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3ccncc3C1)C2 ZINC001172126813 815287518 /nfs/dbraw/zinc/28/75/18/815287518.db2.gz YFPKUQAXQNVFRS-MUJYYYPQSA-N 2 1 257.381 2.413 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1Cc3ccncc3C1)C2 ZINC001172126813 815287520 /nfs/dbraw/zinc/28/75/20/815287520.db2.gz YFPKUQAXQNVFRS-MUJYYYPQSA-N 2 1 257.381 2.413 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1Cc3ccncc3C1)C2 ZINC001172126813 815287523 /nfs/dbraw/zinc/28/75/23/815287523.db2.gz YFPKUQAXQNVFRS-MUJYYYPQSA-N 2 1 257.381 2.413 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1C(C)(C)O)C2 ZINC001172128386 815289219 /nfs/dbraw/zinc/28/92/19/815289219.db2.gz RRRSDONHWZUDRY-CBBWQLFWSA-N 2 1 266.429 2.237 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1C(C)(C)O)C2 ZINC001172128386 815289224 /nfs/dbraw/zinc/28/92/24/815289224.db2.gz RRRSDONHWZUDRY-CBBWQLFWSA-N 2 1 266.429 2.237 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1C(C)(C)O)C2 ZINC001172128386 815289228 /nfs/dbraw/zinc/28/92/28/815289228.db2.gz RRRSDONHWZUDRY-CBBWQLFWSA-N 2 1 266.429 2.237 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1C(C)(C)O)C2 ZINC001172128386 815289230 /nfs/dbraw/zinc/28/92/30/815289230.db2.gz RRRSDONHWZUDRY-CBBWQLFWSA-N 2 1 266.429 2.237 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCC1CCCC1 ZINC001128783015 809456489 /nfs/dbraw/zinc/45/64/89/809456489.db2.gz CTWVOMNNKCFNEF-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C2 ZINC001172102925 815294056 /nfs/dbraw/zinc/29/40/56/815294056.db2.gz QQWZGFCHXIRVIA-WCXIOVBPSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+]1CCC[C@H](CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172102925 815294057 /nfs/dbraw/zinc/29/40/57/815294057.db2.gz QQWZGFCHXIRVIA-WCXIOVBPSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+]1CCC[C@H](CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172102925 815294058 /nfs/dbraw/zinc/29/40/58/815294058.db2.gz QQWZGFCHXIRVIA-WCXIOVBPSA-N 3 1 279.472 2.323 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C2 ZINC001172102925 815294059 /nfs/dbraw/zinc/29/40/59/815294059.db2.gz QQWZGFCHXIRVIA-WCXIOVBPSA-N 2 1 279.472 2.323 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C2 ZINC001172102925 815294060 /nfs/dbraw/zinc/29/40/60/815294060.db2.gz QQWZGFCHXIRVIA-WCXIOVBPSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)OCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105434 815296300 /nfs/dbraw/zinc/29/63/00/815296300.db2.gz IHQQTNOBVCHKMM-QDMKHBRRSA-N 2 1 254.418 2.406 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCSCC1)C2 ZINC001172108491 815298734 /nfs/dbraw/zinc/29/87/34/815298734.db2.gz WWZGAESQRTXREM-ZSOGYDGISA-N 2 1 254.443 2.487 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCSCC1)C2 ZINC001172108491 815298741 /nfs/dbraw/zinc/29/87/41/815298741.db2.gz WWZGAESQRTXREM-ZSOGYDGISA-N 2 1 254.443 2.487 20 0 CEADMP CCOC(=O)C1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001172112268 815300659 /nfs/dbraw/zinc/30/06/59/815300659.db2.gz VIOIROMLWJAHMR-QDMKHBRRSA-N 2 1 294.439 2.325 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034370912 809589064 /nfs/dbraw/zinc/58/90/64/809589064.db2.gz OSCNQJLEPCHTRC-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034370912 809589069 /nfs/dbraw/zinc/58/90/69/809589069.db2.gz OSCNQJLEPCHTRC-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034370912 809589071 /nfs/dbraw/zinc/58/90/71/809589071.db2.gz OSCNQJLEPCHTRC-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1nnc3ccc(C[NH3+])cc31)C2 ZINC001172110432 815301521 /nfs/dbraw/zinc/30/15/21/815301521.db2.gz NCOFRKGNAQCVSZ-WDNDVIMCSA-N 2 1 285.395 2.078 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3nccn3c1)C2 ZINC001172115351 815302140 /nfs/dbraw/zinc/30/21/40/815302140.db2.gz WNILTRMITYTRQS-PHZGNYQRSA-N 2 1 284.407 2.439 20 0 CEADMP CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034439961 809609632 /nfs/dbraw/zinc/60/96/32/809609632.db2.gz YERFXEMGNYDBJQ-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034439961 809609637 /nfs/dbraw/zinc/60/96/37/809609637.db2.gz YERFXEMGNYDBJQ-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(C)(C)C(C)(C)[NH3+])C2 ZINC001172115834 815303137 /nfs/dbraw/zinc/30/31/37/815303137.db2.gz FREUXGQLLYZLLV-CLLJXQQHSA-N 2 1 253.434 2.107 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(C[C@@H]3CCO)CC1)C2 ZINC001172115815 815304406 /nfs/dbraw/zinc/30/44/06/815304406.db2.gz AGAWUOPFWXQOML-MWDXBVQZSA-N 2 1 292.467 2.486 20 0 CEADMP CCC1(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)OCCO1 ZINC001172114331 815304581 /nfs/dbraw/zinc/30/45/81/815304581.db2.gz QPBNIJIPLSVDCJ-QKDCVEJESA-N 2 1 282.428 2.135 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C(C)C)CC1 ZINC001034659629 809655183 /nfs/dbraw/zinc/65/51/83/809655183.db2.gz VPEUUELEAQLFEG-BZUAXINKSA-N 2 1 295.471 2.286 20 0 CEADMP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001034734331 809677008 /nfs/dbraw/zinc/67/70/08/809677008.db2.gz OAMILWBPHXYOTD-JYJNAYRXSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)OC1CCC([NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000703806385 809692580 /nfs/dbraw/zinc/69/25/80/809692580.db2.gz UUWDQTHWABTHKI-PPWQZUPISA-N 2 1 254.418 2.453 20 0 CEADMP CCN(CC[NH+]1CCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121239 815309585 /nfs/dbraw/zinc/30/95/85/815309585.db2.gz CXHXKNSDYBJDDL-BJWYYQGGSA-N 2 1 279.472 2.419 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@]3(CCO3)C1)C2 ZINC001172124100 815315803 /nfs/dbraw/zinc/31/58/03/815315803.db2.gz JJZDTIJMSVWMBC-JJXSEGSLSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@]3(CCO3)C1)C2 ZINC001172124100 815315810 /nfs/dbraw/zinc/31/58/10/815315810.db2.gz JJZDTIJMSVWMBC-JJXSEGSLSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@]3(CCO3)C1)C2 ZINC001172124100 815315817 /nfs/dbraw/zinc/31/58/17/815315817.db2.gz JJZDTIJMSVWMBC-JJXSEGSLSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1C[C@]2(C)C[NH+](C[C@H](O)CC3CCCC3)C[C@@]2(C)C1 ZINC000705682189 809785797 /nfs/dbraw/zinc/78/57/97/809785797.db2.gz VCFKLRWOZONYET-BRWVUGGUSA-N 2 1 280.456 2.201 20 0 CEADMP CC[C@@]1(C)COCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000707333200 809896618 /nfs/dbraw/zinc/89/66/18/809896618.db2.gz SNEXQLRLBZTSEH-HNNXBMFYSA-N 2 1 280.437 2.395 20 0 CEADMP CC[C@@]1(C)COCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000707333200 809896621 /nfs/dbraw/zinc/89/66/21/809896621.db2.gz SNEXQLRLBZTSEH-HNNXBMFYSA-N 2 1 280.437 2.395 20 0 CEADMP CC(C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001036417095 809899444 /nfs/dbraw/zinc/89/94/44/809899444.db2.gz WZROAIQVPOXCAU-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP COc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000709835272 809972155 /nfs/dbraw/zinc/97/21/55/809972155.db2.gz IOXXMAJMCJCPDE-DGCLKSJQSA-N 2 1 288.313 2.264 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000709835272 809972160 /nfs/dbraw/zinc/97/21/60/809972160.db2.gz IOXXMAJMCJCPDE-DGCLKSJQSA-N 2 1 288.313 2.264 20 0 CEADMP C[C@@H]1COC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000710864365 809997744 /nfs/dbraw/zinc/99/77/44/809997744.db2.gz KGQFAYFSOONXBT-GDBMZVCRSA-N 2 1 262.397 2.133 20 0 CEADMP CO[C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000710906110 809999505 /nfs/dbraw/zinc/99/95/05/809999505.db2.gz IUPBCJUGMLERSG-LBPRGKRZSA-N 2 1 266.410 2.005 20 0 CEADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206163113 815335328 /nfs/dbraw/zinc/33/53/28/815335328.db2.gz AAZXAJXRZKXLPE-ZIAGYGMSSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1 ZINC001206163113 815335335 /nfs/dbraw/zinc/33/53/35/815335335.db2.gz AAZXAJXRZKXLPE-ZIAGYGMSSA-N 2 1 254.324 2.395 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCC3)O2)CC[N@H+]1C ZINC000711496334 810079100 /nfs/dbraw/zinc/07/91/00/810079100.db2.gz QUBZVDINQKZIPP-MGPQQGTHSA-N 2 1 252.402 2.160 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)C1CCCCC1 ZINC000923371354 810088534 /nfs/dbraw/zinc/08/85/34/810088534.db2.gz AFBIITFCEWQPTM-HZPDHXFCSA-N 2 1 262.397 2.217 20 0 CEADMP C[C@H]1C[N@@H+](CC(=O)NC2CCCCCCC2)CC[C@H]1C[NH3+] ZINC000923506543 810103807 /nfs/dbraw/zinc/10/38/07/810103807.db2.gz FZKVJKLQOFCXSW-GJZGRUSLSA-N 2 1 295.471 2.132 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC)C[C@H]1C ZINC001080755903 810304762 /nfs/dbraw/zinc/30/47/62/810304762.db2.gz ASHUFTMBTNSTHA-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC)C[C@H]1C ZINC001080755903 810304768 /nfs/dbraw/zinc/30/47/68/810304768.db2.gz ASHUFTMBTNSTHA-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC001080755903 810304771 /nfs/dbraw/zinc/30/47/71/810304771.db2.gz ASHUFTMBTNSTHA-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC)C1 ZINC001015976511 810381450 /nfs/dbraw/zinc/38/14/50/810381450.db2.gz NAUBDBPEFFTFIP-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC001015976511 810381455 /nfs/dbraw/zinc/38/14/55/810381455.db2.gz NAUBDBPEFFTFIP-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC001015976511 810381462 /nfs/dbraw/zinc/38/14/62/810381462.db2.gz NAUBDBPEFFTFIP-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2COC(C)(C)C2)[C@H](C)C1 ZINC001172280200 815375110 /nfs/dbraw/zinc/37/51/10/815375110.db2.gz OHSNJDFSNRUOPR-HZSPNIEDSA-N 2 1 254.418 2.262 20 0 CEADMP CC[N@@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC(C)C)C2 ZINC001122017074 815377231 /nfs/dbraw/zinc/37/72/31/815377231.db2.gz WHJQXWRWYFTBNN-UHFFFAOYSA-N 2 1 295.471 2.001 20 0 CEADMP CC[NH+](CC)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC001172286634 815379765 /nfs/dbraw/zinc/37/97/65/815379765.db2.gz JLXUMRNZPLTLOX-CQSZACIVSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC001258907518 810687486 /nfs/dbraw/zinc/68/74/86/810687486.db2.gz JYEBDILJXNPYBV-CQSZACIVSA-N 2 1 266.433 2.362 20 0 CEADMP CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001085784451 810914708 /nfs/dbraw/zinc/91/47/08/810914708.db2.gz UFYNJLPDFIYOPF-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085784451 810914713 /nfs/dbraw/zinc/91/47/13/810914713.db2.gz UFYNJLPDFIYOPF-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001085784451 810914720 /nfs/dbraw/zinc/91/47/20/810914720.db2.gz UFYNJLPDFIYOPF-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP COc1ccc(C)[nH+]c1NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001155026853 810928955 /nfs/dbraw/zinc/92/89/55/810928955.db2.gz VXYNYENNEIARAQ-AAEUAGOBSA-N 2 1 263.385 2.446 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC ZINC001085918578 810968245 /nfs/dbraw/zinc/96/82/45/810968245.db2.gz HYDTZVMGDFKVIH-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC ZINC001085918578 810968250 /nfs/dbraw/zinc/96/82/50/810968250.db2.gz HYDTZVMGDFKVIH-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086217033 811064595 /nfs/dbraw/zinc/06/45/95/811064595.db2.gz KXPYCPFMZZMZKQ-XHSDSOJGSA-N 2 1 295.471 2.142 20 0 CEADMP CC(C)CCC[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273425356 811119422 /nfs/dbraw/zinc/11/94/22/811119422.db2.gz UDYYUMQJCWBTJQ-KRWDZBQOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168809003 811252279 /nfs/dbraw/zinc/25/22/79/811252279.db2.gz SPZAWMJTEXEUAU-ZIAGYGMSSA-N 2 1 299.459 2.444 20 0 CEADMP CC(C)OCC[C@H](C)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001172442149 815438754 /nfs/dbraw/zinc/43/87/54/815438754.db2.gz SDWQJUGAXWTRIE-DOTOQJQBSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)OCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001172442149 815438758 /nfs/dbraw/zinc/43/87/58/815438758.db2.gz SDWQJUGAXWTRIE-DOTOQJQBSA-N 2 1 298.471 2.281 20 0 CEADMP Cc1nc(CC[NH3+])nn1-c1ccc2c(c1)[nH]c1cc[nH+]cc12 ZINC001168989062 811337543 /nfs/dbraw/zinc/33/75/43/811337543.db2.gz GAWZUSXMPCLFRJ-UHFFFAOYSA-N 2 1 292.346 2.106 20 0 CEADMP CC(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001042922115 811338180 /nfs/dbraw/zinc/33/81/80/811338180.db2.gz BRXFYRXQOAMMDL-HNNXBMFYSA-N 2 1 295.471 2.048 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC[C@@H](O)c1ccccc1)C2 ZINC001169099471 811369247 /nfs/dbraw/zinc/36/92/47/811369247.db2.gz SQZWETSWNPCICG-WCXIOVBPSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1CC[NH+](C3CCC3)CC1)C2 ZINC001169100715 811371896 /nfs/dbraw/zinc/37/18/96/811371896.db2.gz LQFFFQCGPJWZDQ-ACHSLPGTSA-N 2 1 277.456 2.218 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)C2 ZINC001169100663 811374088 /nfs/dbraw/zinc/37/40/88/811374088.db2.gz KZBBYKUDFUIVSR-LVQVYYBASA-N 2 1 266.429 2.142 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)C2 ZINC001169081555 811375966 /nfs/dbraw/zinc/37/59/66/811375966.db2.gz SVHBWVJBYFQODS-NXOAAHMSSA-N 2 1 274.408 2.109 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1nc(C[NH3+])c3ccccc31)C2 ZINC001169089341 811380973 /nfs/dbraw/zinc/38/09/73/811380973.db2.gz BWGQYCFRIUHNPS-CLLJXQQHSA-N 2 1 270.380 2.293 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cnn3ccccc13)C2 ZINC001169124001 811390515 /nfs/dbraw/zinc/39/05/15/811390515.db2.gz OVYPRXZZQVALDU-QKDCVEJESA-N 2 1 270.380 2.049 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cnn3ccccc13)C2 ZINC001169124001 811390532 /nfs/dbraw/zinc/39/05/32/811390532.db2.gz OVYPRXZZQVALDU-QKDCVEJESA-N 2 1 270.380 2.049 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3ccccc3)CC1)C2 ZINC001169123796 811391297 /nfs/dbraw/zinc/39/12/97/811391297.db2.gz MYEDOYZMRZMDFC-BCDXTJNWSA-N 2 1 285.435 2.434 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3ccccc3)CC1)C2 ZINC001169123796 811391305 /nfs/dbraw/zinc/39/13/05/811391305.db2.gz MYEDOYZMRZMDFC-BCDXTJNWSA-N 2 1 285.435 2.434 20 0 CEADMP CN(C)c1cc[nH+]c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001169135832 811399712 /nfs/dbraw/zinc/39/97/12/811399712.db2.gz DDRGAXIQSTZXNL-LRDDRELGSA-N 2 1 291.443 2.498 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H](C(F)(F)F)C1)C2 ZINC001169139407 811401752 /nfs/dbraw/zinc/40/17/52/811401752.db2.gz BUYGZTUVWBTTEC-WYUUTHIRSA-N 2 1 262.319 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](C(F)(F)F)C1)C2 ZINC001169139407 811401755 /nfs/dbraw/zinc/40/17/55/811401755.db2.gz BUYGZTUVWBTTEC-WYUUTHIRSA-N 2 1 262.319 2.496 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H](C(F)(F)F)C1)C2 ZINC001169139407 811401762 /nfs/dbraw/zinc/40/17/62/811401762.db2.gz BUYGZTUVWBTTEC-WYUUTHIRSA-N 2 1 262.319 2.496 20 0 CEADMP CCC(CC)[N@H+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169111941 811405596 /nfs/dbraw/zinc/40/55/96/811405596.db2.gz REKLGXVALJTEOG-DIECFANBSA-N 2 1 279.472 2.464 20 0 CEADMP CCC(CC)[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169111941 811405598 /nfs/dbraw/zinc/40/55/98/811405598.db2.gz REKLGXVALJTEOG-DIECFANBSA-N 2 1 279.472 2.464 20 0 CEADMP CCC(CC)[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169111941 811405602 /nfs/dbraw/zinc/40/56/02/811405602.db2.gz REKLGXVALJTEOG-DIECFANBSA-N 2 1 279.472 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C1)CCOCC3)C2 ZINC001169141352 811408730 /nfs/dbraw/zinc/40/87/30/811408730.db2.gz PZCCROWLCMHBQZ-QDMKHBRRSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC3(C1)CCOCC3)C2 ZINC001169141352 811408736 /nfs/dbraw/zinc/40/87/36/811408736.db2.gz PZCCROWLCMHBQZ-QDMKHBRRSA-N 2 1 264.413 2.114 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC3(C1)CCOCC3)C2 ZINC001169141352 811408742 /nfs/dbraw/zinc/40/87/42/811408742.db2.gz PZCCROWLCMHBQZ-QDMKHBRRSA-N 2 1 264.413 2.114 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)ncn3C)CCC[C@H]1C[NH3+] ZINC001206003593 811411711 /nfs/dbraw/zinc/41/17/11/811411711.db2.gz KACUEWQIGCRPDY-ZFWWWQNUSA-N 2 1 286.423 2.380 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169152299 811414072 /nfs/dbraw/zinc/41/40/72/811414072.db2.gz BUOSGBAAASYGBI-QXSJWSMHSA-N 2 1 265.445 2.026 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169152299 811414076 /nfs/dbraw/zinc/41/40/76/811414076.db2.gz BUOSGBAAASYGBI-QXSJWSMHSA-N 2 1 265.445 2.026 20 0 CEADMP CC(C)[NH+](C)[C@@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169152299 811414081 /nfs/dbraw/zinc/41/40/81/811414081.db2.gz BUOSGBAAASYGBI-QXSJWSMHSA-N 2 1 265.445 2.026 20 0 CEADMP CC(C)[N@@H+](CCCCCO)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169153565 811414146 /nfs/dbraw/zinc/41/41/46/811414146.db2.gz KXBDNXAQQFUMKI-MUJYYYPQSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[N@H+](CCCCCO)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153565 811414150 /nfs/dbraw/zinc/41/41/50/811414150.db2.gz KXBDNXAQQFUMKI-MUJYYYPQSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[N@@H+](CCCCCO)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153565 811414154 /nfs/dbraw/zinc/41/41/54/811414154.db2.gz KXBDNXAQQFUMKI-MUJYYYPQSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[NH+](CCCCCO)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153565 811414158 /nfs/dbraw/zinc/41/41/58/811414158.db2.gz KXBDNXAQQFUMKI-MUJYYYPQSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[NH+](CCCCCO)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153565 811414160 /nfs/dbraw/zinc/41/41/60/811414160.db2.gz KXBDNXAQQFUMKI-MUJYYYPQSA-N 2 1 268.445 2.485 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@]23C[C@H]4C[C@@H](C2)C[C@](O)(C4)C3)CC1 ZINC001169230384 811441956 /nfs/dbraw/zinc/44/19/56/811441956.db2.gz AGFMIYOTRPUEKC-ULAZLLGUSA-N 2 1 278.440 2.144 20 0 CEADMP CC[NH+]1CCC(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC001169244470 811461085 /nfs/dbraw/zinc/46/10/85/811461085.db2.gz QIIDJILQLRKAOF-HOCLYGCPSA-N 2 1 267.461 2.179 20 0 CEADMP CCOC(=O)Cc1cc[nH+]c(NCC[C@H]2CCC[NH2+]2)c1C ZINC001169558413 811565373 /nfs/dbraw/zinc/56/53/73/811565373.db2.gz BEXPTSXIXNVUPE-CQSZACIVSA-N 2 1 291.395 2.050 20 0 CEADMP Cc1cc(F)ncc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206013755 811584774 /nfs/dbraw/zinc/58/47/74/811584774.db2.gz UBFYUHZSCQWYLG-STQMWFEESA-N 2 1 265.376 2.336 20 0 CEADMP CCOC(=O)N1CCC[C@H]([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC001169644830 811603211 /nfs/dbraw/zinc/60/32/11/811603211.db2.gz JMBKSTSGEOMZEY-AWEZNQCLSA-N 2 1 297.443 2.071 20 0 CEADMP CCCNc1cc[nH+]c(NCC23CC[NH+](CC2)CC3)n1 ZINC001169793001 811673137 /nfs/dbraw/zinc/67/31/37/811673137.db2.gz JFLPQHUMNAFGCP-UHFFFAOYSA-N 2 1 275.400 2.196 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1F ZINC001206024398 811701019 /nfs/dbraw/zinc/70/10/19/811701019.db2.gz JJUBEEBSTGYPEV-DGCLKSJQSA-N 2 1 265.376 2.336 20 0 CEADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001172613964 815474346 /nfs/dbraw/zinc/47/43/46/815474346.db2.gz BGTBSGMTGGKOMK-DZGCQCFKSA-N 2 1 282.428 2.134 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001172613964 815474347 /nfs/dbraw/zinc/47/43/47/815474347.db2.gz BGTBSGMTGGKOMK-DZGCQCFKSA-N 2 1 282.428 2.134 20 0 CEADMP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156901582 811948271 /nfs/dbraw/zinc/94/82/71/811948271.db2.gz OBDVLEQWLLMRMY-ZIAGYGMSSA-N 2 1 294.443 2.064 20 0 CEADMP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156901582 811948274 /nfs/dbraw/zinc/94/82/74/811948274.db2.gz OBDVLEQWLLMRMY-ZIAGYGMSSA-N 2 1 294.443 2.064 20 0 CEADMP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001048600149 811993122 /nfs/dbraw/zinc/99/31/22/811993122.db2.gz HPQGQUONWJWENN-BZUAXINKSA-N 2 1 295.471 2.001 20 0 CEADMP CC[NH+](CC)C1CC[NH+](C2CCN(C(=O)OC)CC2)CC1 ZINC001172735319 815497209 /nfs/dbraw/zinc/49/72/09/815497209.db2.gz CDZGKNUJNVPODH-UHFFFAOYSA-N 2 1 297.443 2.023 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001112922725 812115276 /nfs/dbraw/zinc/11/52/76/812115276.db2.gz RXBAPSBNTFKCEH-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001112922725 812115277 /nfs/dbraw/zinc/11/52/77/812115277.db2.gz RXBAPSBNTFKCEH-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP C[C@@H]1CC[N@H+](CCCc2ccc(F)cc2)C[C@H]1[NH3+] ZINC001206036333 812132697 /nfs/dbraw/zinc/13/26/97/812132697.db2.gz IQOYSVJGLBLEQG-IUODEOHRSA-N 2 1 250.361 2.427 20 0 CEADMP C[C@@H]1CC[N@@H+](CCCc2ccc(F)cc2)C[C@H]1[NH3+] ZINC001206036333 812132700 /nfs/dbraw/zinc/13/27/00/812132700.db2.gz IQOYSVJGLBLEQG-IUODEOHRSA-N 2 1 250.361 2.427 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)CCC(=O)OC(C)C)CC1 ZINC001172755254 815506270 /nfs/dbraw/zinc/50/62/70/815506270.db2.gz GMXDAIJYNRUJTI-CYBMUJFWSA-N 2 1 270.417 2.181 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CCO1 ZINC001170181918 812327270 /nfs/dbraw/zinc/32/72/70/812327270.db2.gz KPYANCQCTBTARY-GJZGRUSLSA-N 3 1 299.503 2.419 20 0 CEADMP CC[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)CCO1 ZINC001170218596 812341053 /nfs/dbraw/zinc/34/10/53/812341053.db2.gz FFJSUCOJGKYKGC-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001097444666 812365099 /nfs/dbraw/zinc/36/50/99/812365099.db2.gz BVAXACFDNSZZBO-BMFZPTHFSA-N 2 1 298.390 2.079 20 0 CEADMP CC(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCOC1 ZINC001254372483 812370027 /nfs/dbraw/zinc/37/00/27/812370027.db2.gz KIDGJBIVIYPNKB-RBSFLKMASA-N 2 1 254.418 2.393 20 0 CEADMP C[N@H+]1CCC[C@H]([NH+]2CCCC[C@@](O)(C(F)(F)F)C2)CC1 ZINC001254515909 812431712 /nfs/dbraw/zinc/43/17/12/812431712.db2.gz GJWYMLSRTFSWPI-STQMWFEESA-N 2 1 294.361 2.250 20 0 CEADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)CC1 ZINC001254515909 812431717 /nfs/dbraw/zinc/43/17/17/812431717.db2.gz GJWYMLSRTFSWPI-STQMWFEESA-N 2 1 294.361 2.250 20 0 CEADMP C[NH+]1CCC[C@H]([N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)CC1 ZINC001254515909 812431721 /nfs/dbraw/zinc/43/17/21/812431721.db2.gz GJWYMLSRTFSWPI-STQMWFEESA-N 2 1 294.361 2.250 20 0 CEADMP CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052762674 812457443 /nfs/dbraw/zinc/45/74/43/812457443.db2.gz AMJFFORYUFONED-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052762673 812457658 /nfs/dbraw/zinc/45/76/58/812457658.db2.gz AMJFFORYUFONED-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130708953 812599097 /nfs/dbraw/zinc/59/90/97/812599097.db2.gz NHRSRCPROSARMF-MRXNPFEDSA-N 2 1 297.487 2.393 20 0 CEADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C(C)C)C[C@@H]2C)C1 ZINC001170535314 812635430 /nfs/dbraw/zinc/63/54/30/812635430.db2.gz AOKQQAFPHQJNFT-XGUBFFRZSA-N 2 1 282.428 2.037 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C1 ZINC001172925128 815547216 /nfs/dbraw/zinc/54/72/16/815547216.db2.gz CYXRQUVGJQIMDY-LSDHHAIUSA-N 3 1 299.503 2.419 20 0 CEADMP CC[N@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132210373 812799389 /nfs/dbraw/zinc/79/93/89/812799389.db2.gz HAPDUAYECHYTPH-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132432366 812848405 /nfs/dbraw/zinc/84/84/05/812848405.db2.gz CQQXTBVCMZEBGQ-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP Cc1c[nH+]c(NCC[C@H]2CCC[NH2+]2)nc1NCC1CC1 ZINC001158629344 812855445 /nfs/dbraw/zinc/85/54/45/812855445.db2.gz WVIZTCLWXCECKU-CYBMUJFWSA-N 2 1 275.400 2.161 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173039949 815567432 /nfs/dbraw/zinc/56/74/32/815567432.db2.gz VVIRMIAJFFCMSR-CQSZACIVSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052658561 813021897 /nfs/dbraw/zinc/02/18/97/813021897.db2.gz RFSADROJLQEKGF-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052658561 813021907 /nfs/dbraw/zinc/02/19/07/813021907.db2.gz RFSADROJLQEKGF-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001052658561 813021915 /nfs/dbraw/zinc/02/19/15/813021915.db2.gz RFSADROJLQEKGF-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612175 813295356 /nfs/dbraw/zinc/29/53/56/813295356.db2.gz IVDGZFNMJGHJSC-KGLIPLIRSA-N 2 1 283.460 2.144 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(C)C ZINC001134772491 813323328 /nfs/dbraw/zinc/32/33/28/813323328.db2.gz FANQBABHSAEGKV-UONOGXRCSA-N 2 1 285.476 2.246 20 0 CEADMP Fc1cc(F)cc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000394223426 813366260 /nfs/dbraw/zinc/36/62/60/813366260.db2.gz DXTGIRIGZGKEHP-GRIRQICOSA-N 2 1 278.346 2.093 20 0 CEADMP CC(C)CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072072374 813541908 /nfs/dbraw/zinc/54/19/08/813541908.db2.gz JJLBHOCDOOLJRW-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170870927 813570425 /nfs/dbraw/zinc/57/04/25/813570425.db2.gz MLOUCWWKLBVVBX-SOUVJXGZSA-N 2 1 283.460 2.001 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC1 ZINC001135995599 813583441 /nfs/dbraw/zinc/58/34/41/813583441.db2.gz IISNMVPSRLABSJ-GJZGRUSLSA-N 2 1 297.487 2.391 20 0 CEADMP [NH3+]CCc1c[nH+]cn1[C@H]1CCc2cccc(F)c2C1 ZINC001170948334 813673394 /nfs/dbraw/zinc/67/33/94/813673394.db2.gz FWRQENWTMSISBR-LBPRGKRZSA-N 2 1 259.328 2.253 20 0 CEADMP C1CCC2(CC1)C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CC[NH2+]2 ZINC001246097036 813685195 /nfs/dbraw/zinc/68/51/95/813685195.db2.gz MRTNWZRCJJIIMA-LSDHHAIUSA-N 3 1 265.445 2.173 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246097954 813686320 /nfs/dbraw/zinc/68/63/20/813686320.db2.gz QBGWTXLKHXYYRJ-LXTVHRRPSA-N 3 1 253.434 2.027 20 0 CEADMP CC[C@@H]1CC([NH2+]C[C@@H]2C[NH2+]C[C@@H](C)C2)C[C@@H](CC)[NH2+]1 ZINC001246102576 813694218 /nfs/dbraw/zinc/69/42/18/813694218.db2.gz RPQAPRWNJWVXSI-BYNSBNAKSA-N 3 1 267.461 2.131 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001246121772 813707645 /nfs/dbraw/zinc/70/76/45/813707645.db2.gz SQYUCNZRCSOPOU-KGLIPLIRSA-N 3 1 281.488 2.473 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C2(C)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246125791 813708482 /nfs/dbraw/zinc/70/84/82/813708482.db2.gz GYSOTLNFYROEKH-WDNDVIMCSA-N 3 1 253.434 2.027 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246171029 813719437 /nfs/dbraw/zinc/71/94/37/813719437.db2.gz PNPIKMQECITRBR-FZKCQIBNSA-N 2 1 267.461 2.085 20 0 CEADMP CCC[C@H](C)CC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C(=O)OC ZINC001246331487 813782092 /nfs/dbraw/zinc/78/20/92/813782092.db2.gz XKPFZZVCUVNYLM-XQLPTFJDSA-N 2 1 284.444 2.332 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001074075961 813802400 /nfs/dbraw/zinc/80/24/00/813802400.db2.gz XHZJHPSMRKCKLA-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2[C@@H](C)CC[C@H]2CN)CC1 ZINC001246539702 813947385 /nfs/dbraw/zinc/94/73/85/813947385.db2.gz CWFIKFTZGYZDSS-LBDPXKHJSA-N 2 1 267.461 2.451 20 0 CEADMP C[C@H](Cc1ccncc1)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246552851 814016625 /nfs/dbraw/zinc/01/66/25/814016625.db2.gz WAKRFVMQFWFPAZ-HIFRSBDPSA-N 2 1 265.376 2.166 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)C1 ZINC001246554539 814029094 /nfs/dbraw/zinc/02/90/94/814029094.db2.gz WGUNYQPREPRWDZ-IJEWVQPXSA-N 2 1 282.428 2.312 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC001255965116 814063178 /nfs/dbraw/zinc/06/31/78/814063178.db2.gz XUINBAAEKZWWTG-GOEBONIOSA-N 2 1 284.444 2.382 20 0 CEADMP CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001091112043 814069506 /nfs/dbraw/zinc/06/95/06/814069506.db2.gz IICZENREZIZMHR-GPANFISMSA-N 2 1 295.471 2.001 20 0 CEADMP c1[nH+]c(CN2CC([NH+]3CCCCC3)C2)c2ccccn12 ZINC001144624563 814126180 /nfs/dbraw/zinc/12/61/80/814126180.db2.gz KRZNCKQIHFIGRW-UHFFFAOYSA-N 2 1 270.380 2.004 20 0 CEADMP c1[nH+]c(CN2CC[N@@H+]3CCCC[C@H]3C2)c2ccccn12 ZINC001144621880 814130102 /nfs/dbraw/zinc/13/01/02/814130102.db2.gz AXXMUEYRKCKHDL-AWEZNQCLSA-N 2 1 270.380 2.004 20 0 CEADMP c1[nH+]c(CN2CC[N@H+]3CCCC[C@H]3C2)c2ccccn12 ZINC001144621880 814130107 /nfs/dbraw/zinc/13/01/07/814130107.db2.gz AXXMUEYRKCKHDL-AWEZNQCLSA-N 2 1 270.380 2.004 20 0 CEADMP CCC[N@@H+]1C[C@H]2CN(Cc3ncn4ccccc34)C[C@H]2C1 ZINC001144627820 814134254 /nfs/dbraw/zinc/13/42/54/814134254.db2.gz XJYPLPWBSSUQDO-GASCZTMLSA-N 2 1 284.407 2.108 20 0 CEADMP CCC[N@H+]1C[C@H]2CN(Cc3[nH+]cn4ccccc34)C[C@H]2C1 ZINC001144627820 814134258 /nfs/dbraw/zinc/13/42/58/814134258.db2.gz XJYPLPWBSSUQDO-GASCZTMLSA-N 2 1 284.407 2.108 20 0 CEADMP CCC[N@@H+]1C[C@H]2CN(Cc3[nH+]cn4ccccc34)C[C@H]2C1 ZINC001144627820 814134263 /nfs/dbraw/zinc/13/42/63/814134263.db2.gz XJYPLPWBSSUQDO-GASCZTMLSA-N 2 1 284.407 2.108 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCN[C@H](C(F)(F)F)C2)C1 ZINC001246583864 814160574 /nfs/dbraw/zinc/16/05/74/814160574.db2.gz LCJOCTWFYWPMKN-RWMBFGLXSA-N 2 1 293.377 2.120 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246589402 814179890 /nfs/dbraw/zinc/17/98/90/814179890.db2.gz DGWQTOZHBAPGJN-KBUPBQIOSA-N 3 1 267.461 2.212 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246589402 814179895 /nfs/dbraw/zinc/17/98/95/814179895.db2.gz DGWQTOZHBAPGJN-KBUPBQIOSA-N 3 1 267.461 2.212 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CCCC(C)C)C1 ZINC001100829695 814195985 /nfs/dbraw/zinc/19/59/85/814195985.db2.gz HLDLKABJFGJLII-UHFFFAOYSA-N 2 1 297.487 2.249 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CC(C)(C)C1 ZINC001246599833 814200055 /nfs/dbraw/zinc/20/00/55/814200055.db2.gz DUTWYQSRUYQTKR-HUUCEWRRSA-N 2 1 279.472 2.229 20 0 CEADMP C1CC[C@]2(CCCC[N@H+]([C@H]3CCC[NH2+]CC3)C2)C[NH2+]C1 ZINC001246601017 814201529 /nfs/dbraw/zinc/20/15/29/814201529.db2.gz FTVURTITRJUMOB-IRXDYDNUSA-N 3 1 279.472 2.374 20 0 CEADMP C1CC[C@]2(CCCCN([C@H]3CCC[NH2+]CC3)C2)C[NH2+]C1 ZINC001246601017 814201535 /nfs/dbraw/zinc/20/15/35/814201535.db2.gz FTVURTITRJUMOB-IRXDYDNUSA-N 2 1 279.472 2.374 20 0 CEADMP CCc1nc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)cc(C)[nH+]1 ZINC001160743808 814218460 /nfs/dbraw/zinc/21/84/60/814218460.db2.gz NZJAGPUVCTUQQQ-ZJUUUORDSA-N 2 1 288.317 2.300 20 0 CEADMP CCCCC[C@H](CCC)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246634229 814230131 /nfs/dbraw/zinc/23/01/31/814230131.db2.gz AUWFYJVEUVFEEW-PMPSAXMXSA-N 2 1 268.445 2.249 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC001146711451 814312696 /nfs/dbraw/zinc/31/26/96/814312696.db2.gz SFWJMWXQOIMSRO-CVEARBPZSA-N 2 1 297.487 2.250 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCCC1CCCC1 ZINC001146718883 814313140 /nfs/dbraw/zinc/31/31/40/814313140.db2.gz JITNHDDIKPHZGJ-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)c2cccs2)CC[NH2+]1 ZINC001246879406 814331273 /nfs/dbraw/zinc/33/12/73/814331273.db2.gz NELJTNOIYYSJHL-VXGBXAGGSA-N 2 1 266.410 2.393 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)c2cccs2)CC[NH2+]1 ZINC001246879406 814331283 /nfs/dbraw/zinc/33/12/83/814331283.db2.gz NELJTNOIYYSJHL-VXGBXAGGSA-N 2 1 266.410 2.393 20 0 CEADMP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](C(C)C)C[C@H]1C)[NH+](CC)CC ZINC001102358069 814383284 /nfs/dbraw/zinc/38/32/84/814383284.db2.gz VJOLOSCKHONCDW-OAGGEKHMSA-N 2 1 297.487 2.199 20 0 CEADMP CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103157803 814474101 /nfs/dbraw/zinc/47/41/01/814474101.db2.gz DBYKEHXWBMBHGH-HUUCEWRRSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001103157803 814474108 /nfs/dbraw/zinc/47/41/08/814474108.db2.gz DBYKEHXWBMBHGH-HUUCEWRRSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001103157803 814474113 /nfs/dbraw/zinc/47/41/13/814474113.db2.gz DBYKEHXWBMBHGH-HUUCEWRRSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](CC)c1ccccc1 ZINC001148654820 814594573 /nfs/dbraw/zinc/59/45/73/814594573.db2.gz BJGXDRBFBYIRLJ-MRXNPFEDSA-N 2 1 291.439 2.185 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC001148656236 814595439 /nfs/dbraw/zinc/59/54/39/814595439.db2.gz XUPGYHWSHUPJQF-HZPDHXFCSA-N 2 1 297.487 2.250 20 0 CEADMP COc1ccc(C)cc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697873049 814652793 /nfs/dbraw/zinc/65/27/93/814652793.db2.gz SMQLIUYHOBFHGF-CYBMUJFWSA-N 2 1 250.386 2.433 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@H](O)C2)CC1 ZINC001173110459 815582887 /nfs/dbraw/zinc/58/28/87/815582887.db2.gz SOQAVAVSEFVEOY-UYSNPLJNSA-N 2 1 268.445 2.486 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](F)[C@@H](O)C2)CC1 ZINC001173110462 815582971 /nfs/dbraw/zinc/58/29/71/815582971.db2.gz SSCQEXIQGYBAHB-CVSAEHQPSA-N 2 1 272.408 2.044 20 0 CEADMP CCNC(=O)[C@@H]1CCC[N@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173113215 815584255 /nfs/dbraw/zinc/58/42/55/815584255.db2.gz HYGBQBWLEBCGLT-GPANFISMSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CCc3nccn3CC2)CC1 ZINC001173112945 815584475 /nfs/dbraw/zinc/58/44/75/815584475.db2.gz FIHGJHZNZDPHJM-UHFFFAOYSA-N 2 1 290.455 2.394 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001173112945 815584480 /nfs/dbraw/zinc/58/44/80/815584480.db2.gz FIHGJHZNZDPHJM-UHFFFAOYSA-N 3 1 290.455 2.394 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001173112945 815584487 /nfs/dbraw/zinc/58/44/87/815584487.db2.gz FIHGJHZNZDPHJM-UHFFFAOYSA-N 3 1 290.455 2.394 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2C[C@H]3C[C@@H](C2)O3)CC1 ZINC001173115066 815584520 /nfs/dbraw/zinc/58/45/20/815584520.db2.gz WIQJCGOCHPLAII-ZMYVRHLSSA-N 2 1 252.402 2.113 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCN(C(C)C)C(=O)C2)CC1 ZINC001173113088 815584552 /nfs/dbraw/zinc/58/45/52/815584552.db2.gz IGYQNJXCGSUVEL-UHFFFAOYSA-N 2 1 295.471 2.192 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712448868 814747793 /nfs/dbraw/zinc/74/77/93/814747793.db2.gz DJNKNMPSRRHUBO-ZIAGYGMSSA-N 2 1 252.402 2.149 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C[C@H]1C[NH3+] ZINC000712452126 814748255 /nfs/dbraw/zinc/74/82/55/814748255.db2.gz MFDKYSTZHQPYBJ-MCIONIFRSA-N 2 1 252.402 2.005 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](C(C)(C)C)CC1 ZINC001116273178 814843192 /nfs/dbraw/zinc/84/31/92/814843192.db2.gz BCLIRFAKYUWVBB-HNNXBMFYSA-N 2 1 267.461 2.277 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCOC(F)(F)F ZINC000713412780 814851383 /nfs/dbraw/zinc/85/13/83/814851383.db2.gz VDJGBJLRMGNFMV-SNVBAGLBSA-N 2 1 256.312 2.218 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCCOC(F)(F)F)C[C@@H]1C[NH3+] ZINC000713420511 814851589 /nfs/dbraw/zinc/85/15/89/814851589.db2.gz IFSWEQRPQDWVMM-VWYCJHECSA-N 2 1 268.323 2.218 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+]C1(CO)CCCCCCC1 ZINC000713452669 814856096 /nfs/dbraw/zinc/85/60/96/814856096.db2.gz QINYXDRMMUBHQB-UHFFFAOYSA-N 2 1 279.428 2.418 20 0 CEADMP [NH3+]CCCOC1CC[NH+](Cc2scnc2Cl)CC1 ZINC000713497445 814859272 /nfs/dbraw/zinc/85/92/72/814859272.db2.gz UFAIRIQLBPPCQY-UHFFFAOYSA-N 2 1 289.832 2.126 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713590233 814865546 /nfs/dbraw/zinc/86/55/46/814865546.db2.gz CNITZAUQNPSDBP-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1cccc(C(=O)OC)c1 ZINC001116891872 814889590 /nfs/dbraw/zinc/88/95/90/814889590.db2.gz ZTRQIMRBNYPLAP-UHFFFAOYSA-N 2 1 278.396 2.295 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)O2)C[C@@H]1C[NH3+] ZINC000714379449 814889784 /nfs/dbraw/zinc/88/97/84/814889784.db2.gz IUZMZBDHHIUDNK-HZSPNIEDSA-N 2 1 254.418 2.251 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)O1 ZINC000714320495 814893613 /nfs/dbraw/zinc/89/36/13/814893613.db2.gz KBSIBISWTYJKPR-KFWWJZLASA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000714367057 814899569 /nfs/dbraw/zinc/89/95/69/814899569.db2.gz DTXFAGFQFWSIHA-MELADBBJSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC(C)(C)O2)CC[N@H+]1C ZINC000714369540 814900137 /nfs/dbraw/zinc/90/01/37/814900137.db2.gz WEJZIQQLCVSNHU-RDBSUJKOSA-N 2 1 254.418 2.406 20 0 CEADMP CN(C)c1cc[nH+]c(N[C@H]2CC[N@H+](C3CCC3)C2)c1 ZINC001161177404 815685704 /nfs/dbraw/zinc/68/57/04/815685704.db2.gz NGPHMYKUGGQFOZ-LBPRGKRZSA-N 2 1 260.385 2.186 20 0 CEADMP CC[N@H+]1CC[C@H](NC2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001173356115 815698178 /nfs/dbraw/zinc/69/81/78/815698178.db2.gz FEIVQMSSQFKXRM-WMZOPIPTSA-N 2 1 291.483 2.491 20 0 CEADMP CCN1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001173356115 815698185 /nfs/dbraw/zinc/69/81/85/815698185.db2.gz FEIVQMSSQFKXRM-WMZOPIPTSA-N 2 1 291.483 2.491 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CCC3(CCC[NH+]3CC3CC3)CC2)C1 ZINC001173363160 815702407 /nfs/dbraw/zinc/70/24/07/815702407.db2.gz JAPLFRCKTFDOKJ-QGZVFWFLSA-N 2 1 291.483 2.421 20 0 CEADMP CC[NH+]1CC[C@@H](N2CCC3(CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001173363160 815702410 /nfs/dbraw/zinc/70/24/10/815702410.db2.gz JAPLFRCKTFDOKJ-QGZVFWFLSA-N 2 1 291.483 2.421 20 0 CEADMP CC[NH+]1CC[C@@H](N2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001173363160 815702413 /nfs/dbraw/zinc/70/24/13/815702413.db2.gz JAPLFRCKTFDOKJ-QGZVFWFLSA-N 2 1 291.483 2.421 20 0 CEADMP CC[N@H+]1CC[C@H](N(c2ncccc2C)C2CC[NH2+]CC2)C1 ZINC001173375053 815709552 /nfs/dbraw/zinc/70/95/52/815709552.db2.gz QFUQFVCLHMSBMR-INIZCTEOSA-N 2 1 288.439 2.043 20 0 CEADMP Cc1nccn1-c1ccc(C[N@H+](C)C2COC2)cc1 ZINC001138547348 815824455 /nfs/dbraw/zinc/82/44/55/815824455.db2.gz LJUSICVHCZAWMK-UHFFFAOYSA-N 2 1 257.337 2.011 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1cnc2[nH]ccc2c1 ZINC001138739722 815883374 /nfs/dbraw/zinc/88/33/74/815883374.db2.gz DQQYSZLBWSLZTO-UHFFFAOYSA-N 2 1 260.385 2.337 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1cnc2[nH]ccc2c1 ZINC001138739722 815883379 /nfs/dbraw/zinc/88/33/79/815883379.db2.gz DQQYSZLBWSLZTO-UHFFFAOYSA-N 2 1 260.385 2.337 20 0 CEADMP Cc1n[nH]c(C)c1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001139102057 815960978 /nfs/dbraw/zinc/96/09/78/815960978.db2.gz HKGUYAFLJXKJPD-UHFFFAOYSA-N 2 1 285.395 2.052 20 0 CEADMP Cc1c[nH+]ccc1Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001174537912 816024109 /nfs/dbraw/zinc/02/41/09/816024109.db2.gz UYXWEIGDPHTQOD-UHFFFAOYSA-N 2 1 296.418 2.303 20 0 CEADMP Cn1ncc2ccc(C[N@@H+](C)CC3CC[NH+](C)CC3)cc21 ZINC001139909214 816138824 /nfs/dbraw/zinc/13/88/24/816138824.db2.gz PASSITAYCPZBHY-UHFFFAOYSA-N 2 1 286.423 2.347 20 0 CEADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256975 816163093 /nfs/dbraw/zinc/16/30/93/816163093.db2.gz RILPEZSMBZAPDG-CABCVRRESA-N 2 1 283.460 2.145 20 0 CEADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175255157 816163586 /nfs/dbraw/zinc/16/35/86/816163586.db2.gz DCOJPPZXQOFWAC-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP C[NH+]1CCc2ccc(NC3=CCC[N@H+](C)C3)cc2C1 ZINC001175582474 816223957 /nfs/dbraw/zinc/22/39/57/816223957.db2.gz DLJWZSLWRMVULR-UHFFFAOYSA-N 2 1 257.381 2.306 20 0 CEADMP C[NH+]1CCC=C(Nc2ccc3c(c2)C[N@@H+](C)CC3)C1 ZINC001175582474 816223962 /nfs/dbraw/zinc/22/39/62/816223962.db2.gz DLJWZSLWRMVULR-UHFFFAOYSA-N 2 1 257.381 2.306 20 0 CEADMP C[NH+]1CCC=C(Nc2ccc3c(c2)C[N@H+](C)CC3)C1 ZINC001175582474 816223968 /nfs/dbraw/zinc/22/39/68/816223968.db2.gz DLJWZSLWRMVULR-UHFFFAOYSA-N 2 1 257.381 2.306 20 0 CEADMP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176165783 816359295 /nfs/dbraw/zinc/35/92/95/816359295.db2.gz ORTADNUIDYYYIE-ZBFHGGJFSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176564487 816442490 /nfs/dbraw/zinc/44/24/90/816442490.db2.gz PSPGSVKBOHHEKK-GDBMZVCRSA-N 2 1 295.471 2.003 20 0 CEADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176564021 816442663 /nfs/dbraw/zinc/44/26/63/816442663.db2.gz JWBHEKWIRIDKNQ-LSDHHAIUSA-N 2 1 283.460 2.003 20 0 CEADMP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176564489 816442927 /nfs/dbraw/zinc/44/29/27/816442927.db2.gz PSPGSVKBOHHEKK-HOCLYGCPSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](OCC[NH+](C)C)C1 ZINC001206288583 816499836 /nfs/dbraw/zinc/49/98/36/816499836.db2.gz YZCRFGCZNWSDTL-LSDHHAIUSA-N 2 1 277.412 2.185 20 0 CEADMP CCCn1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cn1 ZINC001206305429 816579971 /nfs/dbraw/zinc/57/99/71/816579971.db2.gz ZGRJQSFOIMZDRE-HNNXBMFYSA-N 2 1 264.417 2.244 20 0 CEADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001178045931 816663661 /nfs/dbraw/zinc/66/36/61/816663661.db2.gz ZLJCVMQRAFUSNL-INIZCTEOSA-N 2 1 295.471 2.313 20 0 CEADMP Cn1cc2c(cccc2C[NH+]2CCC([NH+](C)C)CC2)n1 ZINC001142445342 816669005 /nfs/dbraw/zinc/66/90/05/816669005.db2.gz VQNRRFLBLZSZHG-UHFFFAOYSA-N 2 1 272.396 2.099 20 0 CEADMP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178359687 816731520 /nfs/dbraw/zinc/73/15/20/816731520.db2.gz HVBWCZOYVSQEHF-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CC2CC2)CC[N@H+]1C ZINC001178518403 816757907 /nfs/dbraw/zinc/75/79/07/816757907.db2.gz PJFGYDYCAUUZCK-GDBMZVCRSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1cc(C)nc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001206335245 816769451 /nfs/dbraw/zinc/76/94/51/816769451.db2.gz DDMUINXLISWPDZ-HNNXBMFYSA-N 2 1 262.401 2.044 20 0 CEADMP CN1CCC[C@@H]2C[N@@H+](Cc3cccc4n[nH]cc43)C[C@@H]21 ZINC001143098463 816784147 /nfs/dbraw/zinc/78/41/47/816784147.db2.gz COBXXQIVIOYROS-CJNGLKHVSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@@H+]1CCC[C@@H]2CN(Cc3cccc4n[nH]cc43)C[C@@H]21 ZINC001143098463 816784151 /nfs/dbraw/zinc/78/41/51/816784151.db2.gz COBXXQIVIOYROS-CJNGLKHVSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(Cc3cccc4n[nH]cc43)C[C@@H]21 ZINC001143098463 816784157 /nfs/dbraw/zinc/78/41/57/816784157.db2.gz COBXXQIVIOYROS-CJNGLKHVSA-N 2 1 270.380 2.089 20 0 CEADMP CN1CCC[C@@H]2C[N@@H+](Cc3cccc4n[nH]cc43)C[C@H]21 ZINC001143098464 816784396 /nfs/dbraw/zinc/78/43/96/816784396.db2.gz COBXXQIVIOYROS-CZUORRHYSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@@H+]1CCC[C@@H]2CN(Cc3cccc4n[nH]cc43)C[C@H]21 ZINC001143098464 816784401 /nfs/dbraw/zinc/78/44/01/816784401.db2.gz COBXXQIVIOYROS-CZUORRHYSA-N 2 1 270.380 2.089 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(Cc3cccc4n[nH]cc43)C[C@H]21 ZINC001143098464 816784408 /nfs/dbraw/zinc/78/44/08/816784408.db2.gz COBXXQIVIOYROS-CZUORRHYSA-N 2 1 270.380 2.089 20 0 CEADMP Cc1ccc(C[N@H+](C(C)C)C2CCN(C)CC2)c(N)n1 ZINC001143207217 816810201 /nfs/dbraw/zinc/81/02/01/816810201.db2.gz TWJXGHAGCXGBCM-UHFFFAOYSA-N 2 1 276.428 2.277 20 0 CEADMP Cc1ccc(CN(C(C)C)C2CC[NH+](C)CC2)c(N)n1 ZINC001143207217 816810205 /nfs/dbraw/zinc/81/02/05/816810205.db2.gz TWJXGHAGCXGBCM-UHFFFAOYSA-N 2 1 276.428 2.277 20 0 CEADMP CC/C=C/CC[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161227099 816818068 /nfs/dbraw/zinc/81/80/68/816818068.db2.gz VGAIJYIIHXZABZ-CMDGGOBGSA-N 2 1 283.460 2.169 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000449087500 282095036 /nfs/dbraw/zinc/09/50/36/282095036.db2.gz WAPXBQPFPRLYBG-RRFJBIMHSA-N 2 1 297.487 2.247 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449089450 282095552 /nfs/dbraw/zinc/09/55/52/282095552.db2.gz KJMSFSVUGPCCLQ-CQSZACIVSA-N 2 1 263.385 2.273 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000336213075 365528691 /nfs/dbraw/zinc/52/86/91/365528691.db2.gz WUPOOUXTTDQWRG-GASCZTMLSA-N 2 1 282.391 2.036 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000336213075 365528696 /nfs/dbraw/zinc/52/86/96/365528696.db2.gz WUPOOUXTTDQWRG-GASCZTMLSA-N 2 1 282.391 2.036 20 0 CEADMP Cc1cnc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000449101671 282100563 /nfs/dbraw/zinc/10/05/63/282100563.db2.gz GIRXYYDMJFWKKT-BETUJISGSA-N 2 1 297.468 2.431 20 0 CEADMP C[NH+](CCC[N@H+](C)[C@@H]1CCSC1)[C@@H]1CCSC1 ZINC000121437889 365568989 /nfs/dbraw/zinc/56/89/89/365568989.db2.gz DXKRJQIVYBPUKF-CHWSQXEVSA-N 2 1 274.499 2.251 20 0 CEADMP CCc1cc(NC[C@@H]2CCC[N@@H+](CC)C2)nc(C)[nH+]1 ZINC000121524539 365580265 /nfs/dbraw/zinc/58/02/65/365580265.db2.gz ZSUYMOQTPZUSDQ-ZDUSSCGKSA-N 2 1 262.401 2.491 20 0 CEADMP CCc1cc(NC[C@@H]2CCC[N@H+](CC)C2)nc(C)[nH+]1 ZINC000121524539 365580271 /nfs/dbraw/zinc/58/02/71/365580271.db2.gz ZSUYMOQTPZUSDQ-ZDUSSCGKSA-N 2 1 262.401 2.491 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000449109979 282103649 /nfs/dbraw/zinc/10/36/49/282103649.db2.gz ZXPAUARORHMKOA-CABCVRRESA-N 2 1 297.487 2.247 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC(C)(C)C)[NH2+]C)C1 ZINC000449141357 282116547 /nfs/dbraw/zinc/11/65/47/282116547.db2.gz PWZXJYGKCWSGLB-HUUCEWRRSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccccc2)CC[N@@H+]1C ZINC000123363132 365636995 /nfs/dbraw/zinc/63/69/95/365636995.db2.gz OOCQOSAJLNVWCA-HUUCEWRRSA-N 2 1 262.397 2.480 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccccc2)CC[N@H+]1C ZINC000123363132 365636998 /nfs/dbraw/zinc/63/69/98/365636998.db2.gz OOCQOSAJLNVWCA-HUUCEWRRSA-N 2 1 262.397 2.480 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCOc2ccccc2)CC[NH+]1C ZINC000123363132 365637000 /nfs/dbraw/zinc/63/70/00/365637000.db2.gz OOCQOSAJLNVWCA-HUUCEWRRSA-N 2 1 262.397 2.480 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccccc2)CC[NH+]1C ZINC000123363132 365637002 /nfs/dbraw/zinc/63/70/02/365637002.db2.gz OOCQOSAJLNVWCA-HUUCEWRRSA-N 2 1 262.397 2.480 20 0 CEADMP COc1c(C)cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000336566587 365654713 /nfs/dbraw/zinc/65/47/13/365654713.db2.gz IWJODMRKKSOHMX-CVEARBPZSA-N 2 1 274.408 2.496 20 0 CEADMP COc1c(C)cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000336566587 365654717 /nfs/dbraw/zinc/65/47/17/365654717.db2.gz IWJODMRKKSOHMX-CVEARBPZSA-N 2 1 274.408 2.496 20 0 CEADMP CC[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1)[NH+](C)C ZINC000125190572 365668004 /nfs/dbraw/zinc/66/80/04/365668004.db2.gz HHALLJQRKAAPDU-LSDHHAIUSA-N 2 1 297.487 2.343 20 0 CEADMP CCOC(=O)CCCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333457 346822742 /nfs/dbraw/zinc/82/27/42/346822742.db2.gz DISIDMMOVUIDOT-LSDHHAIUSA-N 2 1 282.428 2.184 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333457 346822746 /nfs/dbraw/zinc/82/27/46/346822746.db2.gz DISIDMMOVUIDOT-LSDHHAIUSA-N 2 1 282.428 2.184 20 0 CEADMP CCOC(=O)CCCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601333456 346822982 /nfs/dbraw/zinc/82/29/82/346822982.db2.gz DISIDMMOVUIDOT-HUUCEWRRSA-N 2 1 282.428 2.184 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601333456 346822986 /nfs/dbraw/zinc/82/29/86/346822986.db2.gz DISIDMMOVUIDOT-HUUCEWRRSA-N 2 1 282.428 2.184 20 0 CEADMP C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000036301155 361839736 /nfs/dbraw/zinc/83/97/36/361839736.db2.gz ZPMOBJHGAWSJLV-UHFFFAOYSA-N 2 1 296.798 2.295 20 0 CEADMP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000036301155 361839740 /nfs/dbraw/zinc/83/97/40/361839740.db2.gz ZPMOBJHGAWSJLV-UHFFFAOYSA-N 2 1 296.798 2.295 20 0 CEADMP Cc1[nH+]ccn1CCCNc1cc[nH+]c(C)c1Cl ZINC000337821094 214275009 /nfs/dbraw/zinc/27/50/09/214275009.db2.gz QUGKKKLCWGJHCJ-UHFFFAOYSA-N 2 1 264.760 2.472 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000125440970 187184597 /nfs/dbraw/zinc/18/45/97/187184597.db2.gz WVPROAVUIIKBAY-STQMWFEESA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000125440970 187184598 /nfs/dbraw/zinc/18/45/98/187184598.db2.gz WVPROAVUIIKBAY-STQMWFEESA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1N(C)C ZINC000337950155 214327933 /nfs/dbraw/zinc/32/79/33/214327933.db2.gz PRLAZXGNYMPONF-UHFFFAOYSA-N 2 1 272.396 2.437 20 0 CEADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000449244191 282156737 /nfs/dbraw/zinc/15/67/37/282156737.db2.gz QNYFVCVRCNMKHP-HUUCEWRRSA-N 2 1 254.418 2.002 20 0 CEADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000449244191 282156739 /nfs/dbraw/zinc/15/67/39/282156739.db2.gz QNYFVCVRCNMKHP-HUUCEWRRSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H]1CCC[C@@](C[NH2+]C2CCOCC2)([NH+](C)C)C1 ZINC000040668747 361995466 /nfs/dbraw/zinc/99/54/66/361995466.db2.gz LCHRCTRUIDOSTA-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC1CCOCC1 ZINC000338012247 214360488 /nfs/dbraw/zinc/36/04/88/214360488.db2.gz OMMFLTIFQGZYFG-ZDUSSCGKSA-N 2 1 265.401 2.376 20 0 CEADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338055611 214381896 /nfs/dbraw/zinc/38/18/96/214381896.db2.gz XZAFYWLIDHVRTD-XQLPTFJDSA-N 2 1 283.460 2.094 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621666384 349655718 /nfs/dbraw/zinc/65/57/18/349655718.db2.gz OBCHGRMRYXHCLA-CABCVRRESA-N 2 1 295.471 2.003 20 0 CEADMP COc1cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1O ZINC000089727549 539177497 /nfs/dbraw/zinc/17/74/97/539177497.db2.gz YERLILUYDXHVLA-LSDHHAIUSA-N 2 1 290.407 2.160 20 0 CEADMP CN1CC(C[N@H+](C)Cc2cc(Cl)cc3c2OCC3)C1 ZINC000668539904 539193766 /nfs/dbraw/zinc/19/37/66/539193766.db2.gz PMQIWUIAYIQOOD-UHFFFAOYSA-N 2 1 280.799 2.268 20 0 CEADMP CN1CC(C[N@@H+](C)Cc2cc(Cl)cc3c2OCC3)C1 ZINC000668539904 539193768 /nfs/dbraw/zinc/19/37/68/539193768.db2.gz PMQIWUIAYIQOOD-UHFFFAOYSA-N 2 1 280.799 2.268 20 0 CEADMP COC1CC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000668586527 539204490 /nfs/dbraw/zinc/20/44/90/539204490.db2.gz DMYBKJKEEDFWNX-OPFPJEHXSA-N 2 1 252.402 2.160 20 0 CEADMP COC1CC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000668586527 539204492 /nfs/dbraw/zinc/20/44/92/539204492.db2.gz DMYBKJKEEDFWNX-OPFPJEHXSA-N 2 1 252.402 2.160 20 0 CEADMP C[NH+](C)CCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000120935303 539226218 /nfs/dbraw/zinc/22/62/18/539226218.db2.gz FYIXVYMBQMFGFQ-AWEZNQCLSA-N 2 1 254.324 2.493 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000261617687 539227539 /nfs/dbraw/zinc/22/75/39/539227539.db2.gz UGFCCOKMRZZODV-CABCVRRESA-N 2 1 260.381 2.187 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000261617687 539227540 /nfs/dbraw/zinc/22/75/40/539227540.db2.gz UGFCCOKMRZZODV-CABCVRRESA-N 2 1 260.381 2.187 20 0 CEADMP CNC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449340647 282193421 /nfs/dbraw/zinc/19/34/21/282193421.db2.gz POVQAWFUWWSCDR-ZDUSSCGKSA-N 2 1 297.487 2.390 20 0 CEADMP CC(C)c1[nH+]ccn1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000305282202 539222615 /nfs/dbraw/zinc/22/26/15/539222615.db2.gz CQCYFKOYNZKWQP-INIZCTEOSA-N 2 1 287.407 2.499 20 0 CEADMP CC(C)c1[nH+]ccn1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000305282202 539222616 /nfs/dbraw/zinc/22/26/16/539222616.db2.gz CQCYFKOYNZKWQP-INIZCTEOSA-N 2 1 287.407 2.499 20 0 CEADMP Cc1csc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000221985315 539223651 /nfs/dbraw/zinc/22/36/51/539223651.db2.gz XJFLRVRJRZPVNV-NWDGAFQWSA-N 2 1 253.415 2.066 20 0 CEADMP C[C@H](O)C1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000668701553 539240846 /nfs/dbraw/zinc/24/08/46/539240846.db2.gz YANJVPYPJHEEFE-HNNXBMFYSA-N 2 1 288.435 2.197 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC000126070638 187215014 /nfs/dbraw/zinc/21/50/14/187215014.db2.gz JMXZADSUEANEHQ-CABCVRRESA-N 2 1 254.418 2.121 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000127675656 539249185 /nfs/dbraw/zinc/24/91/85/539249185.db2.gz HAIYDSOBAPLSQZ-KGLIPLIRSA-N 3 1 255.450 2.037 20 0 CEADMP CC(C)CN1CCC([NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000131235128 539259582 /nfs/dbraw/zinc/25/95/82/539259582.db2.gz YLQSHQJPEBDCRO-OAHLLOKOSA-N 2 1 281.488 2.427 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C[C@H](C)O)C1CCCCC1 ZINC000336801983 282207030 /nfs/dbraw/zinc/20/70/30/282207030.db2.gz SCBGZGYJJALGJX-ZDUSSCGKSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000336801983 282207031 /nfs/dbraw/zinc/20/70/31/282207031.db2.gz SCBGZGYJJALGJX-ZDUSSCGKSA-N 2 1 265.401 2.207 20 0 CEADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000350918662 219069968 /nfs/dbraw/zinc/06/99/68/219069968.db2.gz MVEPHHXDCONVBQ-UHFFFAOYSA-N 2 1 293.386 2.038 20 0 CEADMP CC[C@H](C)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000357381481 529668032 /nfs/dbraw/zinc/66/80/32/529668032.db2.gz ZVTZPNQOVMSOPN-RDJZCZTQSA-N 2 1 276.424 2.259 20 0 CEADMP CC[C@H](C)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000357381481 529668034 /nfs/dbraw/zinc/66/80/34/529668034.db2.gz ZVTZPNQOVMSOPN-RDJZCZTQSA-N 2 1 276.424 2.259 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000336606777 365711340 /nfs/dbraw/zinc/71/13/40/365711340.db2.gz NAXKLRHCFMGREV-WFASDCNBSA-N 2 1 270.380 2.246 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000226544180 539289132 /nfs/dbraw/zinc/28/91/32/539289132.db2.gz OHEBXMZVGQTOKT-DZGCQCFKSA-N 2 1 254.418 2.408 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000226544180 539289134 /nfs/dbraw/zinc/28/91/34/539289134.db2.gz OHEBXMZVGQTOKT-DZGCQCFKSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000336625627 365737831 /nfs/dbraw/zinc/73/78/31/365737831.db2.gz FFBFIPVSFJLTDU-ABAIWWIYSA-N 2 1 278.444 2.424 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000336625627 365737838 /nfs/dbraw/zinc/73/78/38/365737838.db2.gz FFBFIPVSFJLTDU-ABAIWWIYSA-N 2 1 278.444 2.424 20 0 CEADMP FC(F)(F)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000043497727 362145844 /nfs/dbraw/zinc/14/58/44/362145844.db2.gz CDLFQIIOFPJFIR-NSHDSACASA-N 2 1 250.308 2.260 20 0 CEADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000126829497 187264961 /nfs/dbraw/zinc/26/49/61/187264961.db2.gz PPAGVTLPPLCQSV-GOEBONIOSA-N 2 1 290.455 2.358 20 0 CEADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000126829497 187264962 /nfs/dbraw/zinc/26/49/62/187264962.db2.gz PPAGVTLPPLCQSV-GOEBONIOSA-N 2 1 290.455 2.358 20 0 CEADMP Cc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)no1 ZINC000056524127 343617967 /nfs/dbraw/zinc/61/79/67/343617967.db2.gz HSIDMOCQSZZBRS-UHFFFAOYSA-N 2 1 251.374 2.147 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCCO2)C[C@@H]1C ZINC000336721081 365783978 /nfs/dbraw/zinc/78/39/78/365783978.db2.gz XJGHFZSETUMPIH-KKUMJFAQSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCCO2)C[C@@H]1C ZINC000336721081 365783985 /nfs/dbraw/zinc/78/39/85/365783985.db2.gz XJGHFZSETUMPIH-KKUMJFAQSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCCO2)C[C@@H]1C ZINC000336721081 365783987 /nfs/dbraw/zinc/78/39/87/365783987.db2.gz XJGHFZSETUMPIH-KKUMJFAQSA-N 2 1 254.418 2.360 20 0 CEADMP CSC[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000336722222 365785116 /nfs/dbraw/zinc/78/51/16/365785116.db2.gz ZUWHQHYBCDTEBX-CYBMUJFWSA-N 2 1 253.415 2.409 20 0 CEADMP CSC[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000336722222 365785120 /nfs/dbraw/zinc/78/51/20/365785120.db2.gz ZUWHQHYBCDTEBX-CYBMUJFWSA-N 2 1 253.415 2.409 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CC(C)(C)C)C1CC1 ZINC000351442494 219096239 /nfs/dbraw/zinc/09/62/39/219096239.db2.gz KYJLISKBWWOVGD-CABCVRRESA-N 2 1 268.445 2.342 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CC(C)(C)C)C1CC1 ZINC000351442494 219096241 /nfs/dbraw/zinc/09/62/41/219096241.db2.gz KYJLISKBWWOVGD-CABCVRRESA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1CC(C)(C)C)C1CC1 ZINC000351442494 219096243 /nfs/dbraw/zinc/09/62/43/219096243.db2.gz KYJLISKBWWOVGD-CABCVRRESA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1CC(C)(C)C)C1CC1 ZINC000351442494 219096245 /nfs/dbraw/zinc/09/62/45/219096245.db2.gz KYJLISKBWWOVGD-CABCVRRESA-N 2 1 268.445 2.342 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128449454 365789671 /nfs/dbraw/zinc/78/96/71/365789671.db2.gz KNSJWTSNDDLHSO-OAGGEKHMSA-N 2 1 276.428 2.441 20 0 CEADMP Cc1ccc(C[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000351516986 219112731 /nfs/dbraw/zinc/11/27/31/219112731.db2.gz HUASUEKJHLLIBK-YJBOKZPZSA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000351516986 219112733 /nfs/dbraw/zinc/11/27/33/219112733.db2.gz HUASUEKJHLLIBK-YJBOKZPZSA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccc(C[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351516986 219112736 /nfs/dbraw/zinc/11/27/36/219112736.db2.gz HUASUEKJHLLIBK-YJBOKZPZSA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccc(C[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351516986 219112738 /nfs/dbraw/zinc/11/27/38/219112738.db2.gz HUASUEKJHLLIBK-YJBOKZPZSA-N 2 1 290.451 2.313 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC1CCCCC1 ZINC000174711654 529887355 /nfs/dbraw/zinc/88/73/55/529887355.db2.gz LVKJMOVPUONXCM-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP COCCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835324 343868903 /nfs/dbraw/zinc/86/89/03/343868903.db2.gz HHXQNYMTZXDBOL-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP C[NH+](CCOCC[N@H+](C)CC1CCC1)CC1CCC1 ZINC000178700268 529922747 /nfs/dbraw/zinc/92/27/47/529922747.db2.gz IGUBMTZKTOTIEH-UHFFFAOYSA-N 2 1 268.445 2.467 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@@H](C)O2)C[C@H]1C ZINC000336783593 365799953 /nfs/dbraw/zinc/79/99/53/365799953.db2.gz BYDOKTHEDPRBKU-KBXIAJHMSA-N 2 1 254.418 2.359 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[C@@H](C)O2)C[C@H]1C ZINC000336783593 365799958 /nfs/dbraw/zinc/79/99/58/365799958.db2.gz BYDOKTHEDPRBKU-KBXIAJHMSA-N 2 1 254.418 2.359 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[C@@H](C)O2)C[C@H]1C ZINC000336783593 365799966 /nfs/dbraw/zinc/79/99/66/365799966.db2.gz BYDOKTHEDPRBKU-KBXIAJHMSA-N 2 1 254.418 2.359 20 0 CEADMP C[NH+](C)CC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090668802 344142563 /nfs/dbraw/zinc/14/25/63/344142563.db2.gz PSMOFSUOTHEJOM-BHUNQDJPSA-N 3 1 279.472 2.323 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](c1cccnc1)C(C)C ZINC000091284904 344161058 /nfs/dbraw/zinc/16/10/58/344161058.db2.gz ALQBPBYRKRDYAR-INIZCTEOSA-N 2 1 279.428 2.337 20 0 CEADMP CCCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093214291 344216534 /nfs/dbraw/zinc/21/65/34/344216534.db2.gz QSKHTILTDHYTGV-HIFRSBDPSA-N 3 1 253.434 2.110 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000092748120 344201690 /nfs/dbraw/zinc/20/16/90/344201690.db2.gz IEHJZDASWCKFTC-DZGCQCFKSA-N 2 1 295.402 2.108 20 0 CEADMP CCOC(=O)C1(C)CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000092823462 344204521 /nfs/dbraw/zinc/20/45/21/344204521.db2.gz ZBKTZRYCOAJSCD-UHFFFAOYSA-N 2 1 293.411 2.247 20 0 CEADMP Cc1cccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000105476986 344256779 /nfs/dbraw/zinc/25/67/79/344256779.db2.gz PTZDKNCCJOYVKN-UHFFFAOYSA-N 2 1 275.440 2.112 20 0 CEADMP CCOC(=O)C1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000049826339 362378699 /nfs/dbraw/zinc/37/86/99/362378699.db2.gz ZQEAPGFUCUTCLQ-HNNXBMFYSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000049826339 362378704 /nfs/dbraw/zinc/37/87/04/362378704.db2.gz ZQEAPGFUCUTCLQ-HNNXBMFYSA-N 2 1 282.428 2.136 20 0 CEADMP COCC[NH2+]C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000568006518 299108639 /nfs/dbraw/zinc/10/86/39/299108639.db2.gz HIFURPLTTJKVLH-UHFFFAOYSA-N 2 1 299.418 2.435 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000228178012 344559094 /nfs/dbraw/zinc/55/90/94/344559094.db2.gz YXRUWPGVQQWTBN-HUUCEWRRSA-N 2 1 262.397 2.494 20 0 CEADMP Cn1nccc1-c1ccccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000351602645 219140955 /nfs/dbraw/zinc/14/09/55/219140955.db2.gz PLRUKDLLFLNPKJ-OAHLLOKOSA-N 2 1 298.434 2.471 20 0 CEADMP CCNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000052040977 362462133 /nfs/dbraw/zinc/46/21/33/362462133.db2.gz YAPKIOJUWWGEGQ-AWEZNQCLSA-N 2 1 262.401 2.203 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248655547 344624142 /nfs/dbraw/zinc/62/41/42/344624142.db2.gz BSMOBIBYVIYPFZ-XUWVNRHRSA-N 2 1 278.440 2.266 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000568051051 299113540 /nfs/dbraw/zinc/11/35/40/299113540.db2.gz UUHLXUQNZHXZRQ-ROUUACIJSA-N 2 1 290.451 2.220 20 0 CEADMP CC[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)CC(F)(F)F ZINC000402637132 344873286 /nfs/dbraw/zinc/87/32/86/344873286.db2.gz OGHQZBMDTVGMQS-JQWIXIFHSA-N 2 1 282.350 2.010 20 0 CEADMP CC[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)CC(F)(F)F ZINC000402637132 344873289 /nfs/dbraw/zinc/87/32/89/344873289.db2.gz OGHQZBMDTVGMQS-JQWIXIFHSA-N 2 1 282.350 2.010 20 0 CEADMP COCC[N@H+](CCCc1c[nH+]cn1C)[C@H]1CC[C@H](C)C1 ZINC000584662536 344974780 /nfs/dbraw/zinc/97/47/80/344974780.db2.gz BMZFKRIXKIDTHR-GJZGRUSLSA-N 2 1 279.428 2.490 20 0 CEADMP COCC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CC[C@H](C)C1 ZINC000584662536 344974782 /nfs/dbraw/zinc/97/47/82/344974782.db2.gz BMZFKRIXKIDTHR-GJZGRUSLSA-N 2 1 279.428 2.490 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)C(C)(C)C ZINC000336785784 365803724 /nfs/dbraw/zinc/80/37/24/365803724.db2.gz GDCHQZRCJNGFBF-ZIAGYGMSSA-N 2 1 256.434 2.200 20 0 CEADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)C[C@H]1COc2ccccc2O1 ZINC000591084046 345218677 /nfs/dbraw/zinc/21/86/77/345218677.db2.gz RVXVVUKUHBJGDQ-GJZGRUSLSA-N 2 1 290.407 2.100 20 0 CEADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C[C@H]1COc2ccccc2O1 ZINC000591084046 345218679 /nfs/dbraw/zinc/21/86/79/345218679.db2.gz RVXVVUKUHBJGDQ-GJZGRUSLSA-N 2 1 290.407 2.100 20 0 CEADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C[C@H]1COc2ccccc2O1 ZINC000591084046 345218680 /nfs/dbraw/zinc/21/86/80/345218680.db2.gz RVXVVUKUHBJGDQ-GJZGRUSLSA-N 2 1 290.407 2.100 20 0 CEADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C[C@H]1COc2ccccc2O1 ZINC000591084046 345218682 /nfs/dbraw/zinc/21/86/82/345218682.db2.gz RVXVVUKUHBJGDQ-GJZGRUSLSA-N 2 1 290.407 2.100 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000592493957 345360095 /nfs/dbraw/zinc/36/00/95/345360095.db2.gz LJDRXAWNQZACHM-HNNXBMFYSA-N 2 1 282.428 2.184 20 0 CEADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCOc1ccccc1 ZINC000336786533 365805564 /nfs/dbraw/zinc/80/55/64/365805564.db2.gz IGZRSUYFYHABQJ-OAHLLOKOSA-N 2 1 250.386 2.419 20 0 CEADMP CC(C)SCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594525125 345643871 /nfs/dbraw/zinc/64/38/71/345643871.db2.gz SHVXOFPSRNFNDX-OAHLLOKOSA-N 2 1 286.485 2.361 20 0 CEADMP C[C@H](CSCCF)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000595011310 345726828 /nfs/dbraw/zinc/72/68/28/345726828.db2.gz LYLKDGOEKNSLSH-UPJWGTAASA-N 2 1 260.422 2.294 20 0 CEADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000595025303 345730368 /nfs/dbraw/zinc/73/03/68/345730368.db2.gz FXLMIPSWSZAQEO-CYBMUJFWSA-N 2 1 282.428 2.206 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CC(C)(C)C)C1 ZINC000307849821 539490297 /nfs/dbraw/zinc/49/02/97/539490297.db2.gz ZWLRKJNYOONIFM-HUUCEWRRSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000307849821 539490299 /nfs/dbraw/zinc/49/02/99/539490299.db2.gz ZWLRKJNYOONIFM-HUUCEWRRSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000307849821 539490303 /nfs/dbraw/zinc/49/03/03/539490303.db2.gz ZWLRKJNYOONIFM-HUUCEWRRSA-N 2 1 270.461 2.446 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCOCc2ccccc2)CC[N@H+]1C ZINC000156909859 232237534 /nfs/dbraw/zinc/23/75/34/232237534.db2.gz CPYTXYAIHLSUOI-HOCLYGCPSA-N 2 1 262.397 2.276 20 0 CEADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)OC(C)(C)C)C2 ZINC000595507817 345798972 /nfs/dbraw/zinc/79/89/72/345798972.db2.gz RJAIPFGGWGKGLX-MRXNPFEDSA-N 2 1 282.428 2.136 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)OC(C)(C)C)C2 ZINC000595507817 345798976 /nfs/dbraw/zinc/79/89/76/345798976.db2.gz RJAIPFGGWGKGLX-MRXNPFEDSA-N 2 1 282.428 2.136 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)OC(C)(C)C)C2 ZINC000595507817 345798977 /nfs/dbraw/zinc/79/89/77/345798977.db2.gz RJAIPFGGWGKGLX-MRXNPFEDSA-N 2 1 282.428 2.136 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)OC(C)(C)C)C2 ZINC000595507817 345798979 /nfs/dbraw/zinc/79/89/79/345798979.db2.gz RJAIPFGGWGKGLX-MRXNPFEDSA-N 2 1 282.428 2.136 20 0 CEADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000595886297 345905957 /nfs/dbraw/zinc/90/59/57/345905957.db2.gz UESKTCWWRJWVQJ-BFHYXJOUSA-N 2 1 284.469 2.113 20 0 CEADMP COC(=O)CC1(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC000595908396 345911347 /nfs/dbraw/zinc/91/13/47/345911347.db2.gz HWRHXYTTXGLCDJ-ZIAGYGMSSA-N 2 1 282.428 2.169 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@@H]1CCCCO1 ZINC000230021963 539502417 /nfs/dbraw/zinc/50/24/17/539502417.db2.gz DJUWPLSHRATXPU-INIZCTEOSA-N 2 1 262.397 2.407 20 0 CEADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000596691741 346076706 /nfs/dbraw/zinc/07/67/06/346076706.db2.gz TWLOGTXTMIBXSK-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP COC(=O)c1oc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000597151630 346136261 /nfs/dbraw/zinc/13/62/61/346136261.db2.gz QIKYESHQTKPQFI-ZDUSSCGKSA-N 2 1 294.395 2.196 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OCC)[nH]2)CC1 ZINC000602585187 347089470 /nfs/dbraw/zinc/08/94/70/347089470.db2.gz CKEIMNFULMWPBL-UHFFFAOYSA-N 2 1 293.411 2.155 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000127588355 187317917 /nfs/dbraw/zinc/31/79/17/187317917.db2.gz ZCWWYTWUNFTVHA-CQSZACIVSA-N 2 1 282.403 2.487 20 0 CEADMP CC[C@@H](C)[N@H+](CCO)CCCCn1cc[nH+]c1C ZINC000336788196 365809354 /nfs/dbraw/zinc/80/93/54/365809354.db2.gz GNHOHRBFXUVKON-CYBMUJFWSA-N 2 1 253.390 2.065 20 0 CEADMP CC[C@@H](C)[N@@H+](CCO)CCCCn1cc[nH+]c1C ZINC000336788196 365809358 /nfs/dbraw/zinc/80/93/58/365809358.db2.gz GNHOHRBFXUVKON-CYBMUJFWSA-N 2 1 253.390 2.065 20 0 CEADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000062010723 362702137 /nfs/dbraw/zinc/70/21/37/362702137.db2.gz OQKFUSQZDBQTNW-CYBMUJFWSA-N 2 1 281.831 2.238 20 0 CEADMP COC(=O)CC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000599025860 346448307 /nfs/dbraw/zinc/44/83/07/346448307.db2.gz SDDGRUVABBJNSX-QDIHITRGSA-N 2 1 294.439 2.325 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@H](CO)c2ccccc2)CC1 ZINC000062999027 362739715 /nfs/dbraw/zinc/73/97/15/362739715.db2.gz CTMCNNXCVTZWQB-MRXNPFEDSA-N 2 1 262.397 2.182 20 0 CEADMP COC(=O)CCCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000599300819 346493810 /nfs/dbraw/zinc/49/38/10/346493810.db2.gz XDTMFWKBJBSMSQ-AWEZNQCLSA-N 2 1 270.417 2.136 20 0 CEADMP COC(=O)CCCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000599300819 346493813 /nfs/dbraw/zinc/49/38/13/346493813.db2.gz XDTMFWKBJBSMSQ-AWEZNQCLSA-N 2 1 270.417 2.136 20 0 CEADMP COC(=O)CCCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000599300819 346493817 /nfs/dbraw/zinc/49/38/17/346493817.db2.gz XDTMFWKBJBSMSQ-AWEZNQCLSA-N 2 1 270.417 2.136 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCC[C@H]21 ZINC000599653650 346555567 /nfs/dbraw/zinc/55/55/67/346555567.db2.gz LCBIKNXLWCZUFA-HRCADAONSA-N 2 1 296.455 2.382 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCC[C@H]21 ZINC000599653650 346555570 /nfs/dbraw/zinc/55/55/70/346555570.db2.gz LCBIKNXLWCZUFA-HRCADAONSA-N 2 1 296.455 2.382 20 0 CEADMP COC(=O)C1C[C@H](C)[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000599694507 346570548 /nfs/dbraw/zinc/57/05/48/346570548.db2.gz IDIODIQUKKQZQE-YDHLFZDLSA-N 2 1 282.428 2.133 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000600161514 346609899 /nfs/dbraw/zinc/60/98/99/346609899.db2.gz NNAIQEGLLGSEAH-HNNXBMFYSA-N 2 1 290.407 2.436 20 0 CEADMP COC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000600161514 346609900 /nfs/dbraw/zinc/60/99/00/346609900.db2.gz NNAIQEGLLGSEAH-HNNXBMFYSA-N 2 1 290.407 2.436 20 0 CEADMP C[C@H](O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000336805137 365839585 /nfs/dbraw/zinc/83/95/85/365839585.db2.gz SYEPCKLVJGTWIS-JYJNAYRXSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@H](O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000336805137 365839591 /nfs/dbraw/zinc/83/95/91/365839591.db2.gz SYEPCKLVJGTWIS-JYJNAYRXSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@@H](O)CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000336804516 365836977 /nfs/dbraw/zinc/83/69/77/365836977.db2.gz DLTVJBJYFAVJQW-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000600967579 346722126 /nfs/dbraw/zinc/72/21/26/346722126.db2.gz PGYFCHJPXPZJLI-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000600967579 346722130 /nfs/dbraw/zinc/72/21/30/346722130.db2.gz PGYFCHJPXPZJLI-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000600967579 346722133 /nfs/dbraw/zinc/72/21/33/346722133.db2.gz PGYFCHJPXPZJLI-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP Clc1ccccc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129419070 365856420 /nfs/dbraw/zinc/85/64/20/365856420.db2.gz SNUXRYPEIVYGPE-AWEZNQCLSA-N 2 1 294.826 2.494 20 0 CEADMP C[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000606353796 347465996 /nfs/dbraw/zinc/46/59/96/347465996.db2.gz RFPVZLWVGGSGMK-HNNXBMFYSA-N 2 1 284.363 2.295 20 0 CEADMP CN1CCCC[C@H]1C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000606353796 347465998 /nfs/dbraw/zinc/46/59/98/347465998.db2.gz RFPVZLWVGGSGMK-HNNXBMFYSA-N 2 1 284.363 2.295 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000129650889 365882367 /nfs/dbraw/zinc/88/23/67/365882367.db2.gz NUCWACGMCDCUNY-HIFRSBDPSA-N 2 1 290.407 2.073 20 0 CEADMP Fc1ccc(OCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000336830589 365895244 /nfs/dbraw/zinc/89/52/44/365895244.db2.gz GXHMSSBZWPBUKG-BBRMVZONSA-N 2 1 278.371 2.278 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000351847704 219225303 /nfs/dbraw/zinc/22/53/03/219225303.db2.gz AVMJEHMVWNSNGN-KBPBESRZSA-N 2 1 254.418 2.395 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCc2cccc(F)c2)CC[N@H+]1C ZINC000129824711 365898310 /nfs/dbraw/zinc/89/83/10/365898310.db2.gz WFYZTDXIEZGIQJ-SWLSCSKDSA-N 2 1 250.361 2.441 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000351850159 219224917 /nfs/dbraw/zinc/22/49/17/219224917.db2.gz HZPSSRGHSAOIPS-NWDGAFQWSA-N 2 1 295.814 2.338 20 0 CEADMP CCOC(=O)CC[C@@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000611225017 347753469 /nfs/dbraw/zinc/75/34/69/347753469.db2.gz BOXHKMLEOKQSRT-HNNXBMFYSA-N 2 1 293.411 2.247 20 0 CEADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000611225017 347753470 /nfs/dbraw/zinc/75/34/70/347753470.db2.gz BOXHKMLEOKQSRT-HNNXBMFYSA-N 2 1 293.411 2.247 20 0 CEADMP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000611782073 347816355 /nfs/dbraw/zinc/81/63/55/347816355.db2.gz FZAQOEMINDZGJY-GJZGRUSLSA-N 2 1 293.411 2.498 20 0 CEADMP CCOC(=O)[C@H](CC(C)C)N1CCC[C@H](n2ccnc2)C1 ZINC000611782073 347816358 /nfs/dbraw/zinc/81/63/58/347816358.db2.gz FZAQOEMINDZGJY-GJZGRUSLSA-N 2 1 293.411 2.498 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334378642 539591538 /nfs/dbraw/zinc/59/15/38/539591538.db2.gz GWMXCYPXUACUGM-KRWDZBQOSA-N 2 1 287.407 2.221 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334378642 539591543 /nfs/dbraw/zinc/59/15/43/539591543.db2.gz GWMXCYPXUACUGM-KRWDZBQOSA-N 2 1 287.407 2.221 20 0 CEADMP Cc1noc(C)c1CC[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000568778818 299153325 /nfs/dbraw/zinc/15/33/25/299153325.db2.gz AZBUEHQSJZGNQC-ZDUSSCGKSA-N 2 1 274.368 2.057 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH+]3CCCC[C@H]23)CC1(C)C ZINC000623358452 349998443 /nfs/dbraw/zinc/99/84/43/349998443.db2.gz AWLFKVTUUOWLSQ-SOUVJXGZSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1(C)C ZINC000623358452 349998445 /nfs/dbraw/zinc/99/84/45/349998445.db2.gz AWLFKVTUUOWLSQ-SOUVJXGZSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1(C)C ZINC000623358452 349998449 /nfs/dbraw/zinc/99/84/49/349998449.db2.gz AWLFKVTUUOWLSQ-SOUVJXGZSA-N 2 1 265.445 2.076 20 0 CEADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623351562 349995880 /nfs/dbraw/zinc/99/58/80/349995880.db2.gz VQBPHDQZFDZYCD-ZIAGYGMSSA-N 2 1 255.450 2.179 20 0 CEADMP CC[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+](CC)CC ZINC000616995632 348602159 /nfs/dbraw/zinc/60/21/59/348602159.db2.gz VSWULWZMOAKKOS-HUUCEWRRSA-N 2 1 297.487 2.343 20 0 CEADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339073845 539658146 /nfs/dbraw/zinc/65/81/46/539658146.db2.gz FUTQKCCXWQRSFT-MAZHCROVSA-N 2 1 290.455 2.184 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000617506155 348717911 /nfs/dbraw/zinc/71/79/11/348717911.db2.gz CBBOGAXZBIMDHF-PMPSAXMXSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000617506155 348717912 /nfs/dbraw/zinc/71/79/12/348717912.db2.gz CBBOGAXZBIMDHF-PMPSAXMXSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1C(C)(C)C1(C)C ZINC000617505558 348718352 /nfs/dbraw/zinc/71/83/52/348718352.db2.gz HVDKOHDVROKMTQ-ZDUSSCGKSA-N 2 1 297.487 2.057 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1C(C)(C)C1(C)C ZINC000617505558 348718358 /nfs/dbraw/zinc/71/83/58/348718358.db2.gz HVDKOHDVROKMTQ-ZDUSSCGKSA-N 2 1 297.487 2.057 20 0 CEADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+](CC)CC ZINC000617349341 348686235 /nfs/dbraw/zinc/68/62/35/348686235.db2.gz MWORZUTYWQAYPN-KGLIPLIRSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000458233070 539672547 /nfs/dbraw/zinc/67/25/47/539672547.db2.gz WWWNPGWLRGOUGV-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458233070 539672550 /nfs/dbraw/zinc/67/25/50/539672550.db2.gz WWWNPGWLRGOUGV-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458233070 539672554 /nfs/dbraw/zinc/67/25/54/539672554.db2.gz WWWNPGWLRGOUGV-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCC1([NH+](C)C)CCCC1 ZINC000339263320 539680942 /nfs/dbraw/zinc/68/09/42/539680942.db2.gz GNVSQFVSWVXJDU-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCCC[C@H]2C)C1 ZINC000339281429 539688100 /nfs/dbraw/zinc/68/81/00/539688100.db2.gz JEDLBWVQQJNCDJ-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2C)C1 ZINC000339281429 539688107 /nfs/dbraw/zinc/68/81/07/539688107.db2.gz JEDLBWVQQJNCDJ-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2C)C1 ZINC000339281429 539688112 /nfs/dbraw/zinc/68/81/12/539688112.db2.gz JEDLBWVQQJNCDJ-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP COC(=O)C1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459792604 290241769 /nfs/dbraw/zinc/24/17/69/290241769.db2.gz SSEVFKFFQKJHCG-NFOMZHRRSA-N 2 1 282.428 2.040 20 0 CEADMP COCCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339661672 215288763 /nfs/dbraw/zinc/28/87/63/215288763.db2.gz VFYCGLUSCJADLV-SJPCQFCGSA-N 2 1 298.471 2.377 20 0 CEADMP COCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339661672 215288766 /nfs/dbraw/zinc/28/87/66/215288766.db2.gz VFYCGLUSCJADLV-SJPCQFCGSA-N 2 1 298.471 2.377 20 0 CEADMP COCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339661672 215288769 /nfs/dbraw/zinc/28/87/69/215288769.db2.gz VFYCGLUSCJADLV-SJPCQFCGSA-N 2 1 298.471 2.377 20 0 CEADMP COC[C@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000234745287 539735427 /nfs/dbraw/zinc/73/54/27/539735427.db2.gz RSNGNSRRLCOMQN-AWEZNQCLSA-N 2 1 274.408 2.191 20 0 CEADMP CCCC[C@H](CC)CC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000339408132 539740591 /nfs/dbraw/zinc/74/05/91/539740591.db2.gz QJTQDEKWZDOCPJ-HOTGVXAUSA-N 2 1 297.487 2.380 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352044065 219300340 /nfs/dbraw/zinc/30/03/40/219300340.db2.gz DRFWLKVIIYDCFO-FZKCQIBNSA-N 2 1 295.471 2.237 20 0 CEADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352044065 219300342 /nfs/dbraw/zinc/30/03/42/219300342.db2.gz DRFWLKVIIYDCFO-FZKCQIBNSA-N 2 1 295.471 2.237 20 0 CEADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352044065 219300344 /nfs/dbraw/zinc/30/03/44/219300344.db2.gz DRFWLKVIIYDCFO-FZKCQIBNSA-N 2 1 295.471 2.237 20 0 CEADMP C[N@H+]1CC[C@@H](NCc2cn3ccsc3n2)CC1(C)C ZINC000623378637 350004678 /nfs/dbraw/zinc/00/46/78/350004678.db2.gz JQTOZKWBSLUTHC-LLVKDONJSA-N 2 1 278.425 2.358 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)CC1(C)C ZINC000623398234 350009421 /nfs/dbraw/zinc/00/94/21/350009421.db2.gz ADZBVHAVYCHJEJ-HUUCEWRRSA-N 2 1 268.445 2.390 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)CC1(C)C ZINC000623487621 350032482 /nfs/dbraw/zinc/03/24/82/350032482.db2.gz KMNTVYGEFPRWLD-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)C[C@@H](CCO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623436946 350019941 /nfs/dbraw/zinc/01/99/41/350019941.db2.gz LFLBQRACBBLZDK-CABCVRRESA-N 2 1 270.461 2.494 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCCC2)CC1(C)C ZINC000623436813 350020445 /nfs/dbraw/zinc/02/04/45/350020445.db2.gz GGUGJVQZKJHITH-AWEZNQCLSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@H](C[C@H]1CCOC1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623447656 350023059 /nfs/dbraw/zinc/02/30/59/350023059.db2.gz ZQUAYGCUYRBSBF-MCIONIFRSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000623656979 350076433 /nfs/dbraw/zinc/07/64/33/350076433.db2.gz HCSBAUYRCYMHGJ-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000623657710 350077024 /nfs/dbraw/zinc/07/70/24/350077024.db2.gz XEPDXJXHDPPATO-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000623657710 350077029 /nfs/dbraw/zinc/07/70/29/350077029.db2.gz XEPDXJXHDPPATO-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP CCC(O)(CC)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623504976 350036681 /nfs/dbraw/zinc/03/66/81/350036681.db2.gz IFFFPFNMMHINAZ-CYBMUJFWSA-N 2 1 256.434 2.390 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CC1(C)C ZINC000623508558 350037318 /nfs/dbraw/zinc/03/73/18/350037318.db2.gz AMVZEJIOSGGZMC-HNNXBMFYSA-N 3 1 279.472 2.323 20 0 CEADMP CN1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CC1(C)C ZINC000623508558 350037321 /nfs/dbraw/zinc/03/73/21/350037321.db2.gz AMVZEJIOSGGZMC-HNNXBMFYSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)CC1(C)C ZINC000623510153 350038586 /nfs/dbraw/zinc/03/85/86/350038586.db2.gz JRWSNLZTDZPAMG-CQSZACIVSA-N 2 1 280.456 2.392 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623527431 350041798 /nfs/dbraw/zinc/04/17/98/350041798.db2.gz TXFDYTBFMBUUJK-UONOGXRCSA-N 2 1 255.450 2.178 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623527431 350041800 /nfs/dbraw/zinc/04/18/00/350041800.db2.gz TXFDYTBFMBUUJK-UONOGXRCSA-N 2 1 255.450 2.178 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623527431 350041804 /nfs/dbraw/zinc/04/18/04/350041804.db2.gz TXFDYTBFMBUUJK-UONOGXRCSA-N 2 1 255.450 2.178 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C12CCC2 ZINC000623546923 350046774 /nfs/dbraw/zinc/04/67/74/350046774.db2.gz ADNLKGBNYUZLTH-BFHYXJOUSA-N 2 1 266.429 2.406 20 0 CEADMP COC1CC(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623562574 350051055 /nfs/dbraw/zinc/05/10/55/350051055.db2.gz WAVNZLISVCRIGB-MOKVOYLWSA-N 2 1 254.418 2.264 20 0 CEADMP CCc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc(C)[nH+]1 ZINC000250506820 539749321 /nfs/dbraw/zinc/74/93/21/539749321.db2.gz JJVPGQKUKPMWSK-KGLIPLIRSA-N 2 1 260.385 2.386 20 0 CEADMP CCc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc(C)[nH+]1 ZINC000250506820 539749327 /nfs/dbraw/zinc/74/93/27/539749327.db2.gz JJVPGQKUKPMWSK-KGLIPLIRSA-N 2 1 260.385 2.386 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000090720163 180030864 /nfs/dbraw/zinc/03/08/64/180030864.db2.gz PQMQHWMCOJDVED-LRDDRELGSA-N 2 1 275.396 2.217 20 0 CEADMP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000623928400 350145843 /nfs/dbraw/zinc/14/58/43/350145843.db2.gz OTDCLQKPSYKKQX-GFCCVEGCSA-N 2 1 263.410 2.372 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000623928400 350145846 /nfs/dbraw/zinc/14/58/46/350145846.db2.gz OTDCLQKPSYKKQX-GFCCVEGCSA-N 2 1 263.410 2.372 20 0 CEADMP CCC[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)OCC ZINC000624051189 350179427 /nfs/dbraw/zinc/17/94/27/350179427.db2.gz VGJCNFSKJVLWKH-IAGOWNOFSA-N 2 1 298.471 2.425 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@]1(C)CCCO1 ZINC000624124035 350201643 /nfs/dbraw/zinc/20/16/43/350201643.db2.gz VSOCIONUTRZFSN-KKUMJFAQSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000624124024 350201764 /nfs/dbraw/zinc/20/17/64/350201764.db2.gz VRBMVMKUWNLGAN-KGLIPLIRSA-N 2 1 262.401 2.040 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000624124024 350201767 /nfs/dbraw/zinc/20/17/67/350201767.db2.gz VRBMVMKUWNLGAN-KGLIPLIRSA-N 2 1 262.401 2.040 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000235480370 539775924 /nfs/dbraw/zinc/77/59/24/539775924.db2.gz UHPCDLQHDLEZOS-DOMZBBRYSA-N 2 1 250.361 2.488 20 0 CEADMP COCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000105480412 186059388 /nfs/dbraw/zinc/05/93/88/186059388.db2.gz VQVYSHJBJPKUFO-YOEHRIQHSA-N 2 1 292.423 2.142 20 0 CEADMP Cc1ncsc1CC[N@H+](C)C1CCC([NH3+])CC1 ZINC000091846761 180270334 /nfs/dbraw/zinc/27/03/34/180270334.db2.gz CDOYCKATXJLQSQ-UHFFFAOYSA-N 2 1 253.415 2.196 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c[nH]nc3c2)CC[N@@H+]1C ZINC000130633358 365975353 /nfs/dbraw/zinc/97/53/53/365975353.db2.gz OHHBAFMMZBDULX-WFASDCNBSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c[nH]nc3c2)CC[N@H+]1C ZINC000130633358 365975360 /nfs/dbraw/zinc/97/53/60/365975360.db2.gz OHHBAFMMZBDULX-WFASDCNBSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c[nH]nc3c2)CC[NH+]1C ZINC000130633358 365975362 /nfs/dbraw/zinc/97/53/62/365975362.db2.gz OHHBAFMMZBDULX-WFASDCNBSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c[nH]nc3c2)CC[NH+]1C ZINC000130633358 365975367 /nfs/dbraw/zinc/97/53/67/365975367.db2.gz OHHBAFMMZBDULX-WFASDCNBSA-N 2 1 272.396 2.477 20 0 CEADMP C/C=C\C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000626164019 350675842 /nfs/dbraw/zinc/67/58/42/350675842.db2.gz VEQKWEOLMJFBKP-RAQZUPNJSA-N 2 1 266.429 2.120 20 0 CEADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000626164019 350675847 /nfs/dbraw/zinc/67/58/47/350675847.db2.gz VEQKWEOLMJFBKP-RAQZUPNJSA-N 2 1 266.429 2.120 20 0 CEADMP C/C=C\C[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000626164019 350675851 /nfs/dbraw/zinc/67/58/51/350675851.db2.gz VEQKWEOLMJFBKP-RAQZUPNJSA-N 2 1 266.429 2.120 20 0 CEADMP C/C=C\C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000626164019 350675854 /nfs/dbraw/zinc/67/58/54/350675854.db2.gz VEQKWEOLMJFBKP-RAQZUPNJSA-N 2 1 266.429 2.120 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(F)cc1N(C)C ZINC000629520254 351386139 /nfs/dbraw/zinc/38/61/39/351386139.db2.gz DSUUHRAKTLQDMN-LBPRGKRZSA-N 2 1 295.402 2.050 20 0 CEADMP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccsc1 ZINC000629521745 351387737 /nfs/dbraw/zinc/38/77/37/351387737.db2.gz SOTMCAQLJCWALD-LBPRGKRZSA-N 2 1 254.399 2.297 20 0 CEADMP Cc1cncc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000629534407 351397035 /nfs/dbraw/zinc/39/70/35/351397035.db2.gz YKKRHRZZZFYCRT-CVEARBPZSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cncc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000629537771 351400768 /nfs/dbraw/zinc/40/07/68/351400768.db2.gz LRCCIUDKODNHAV-GVDBMIGSSA-N 2 1 289.423 2.108 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])C1CC1 ZINC000629541553 351402809 /nfs/dbraw/zinc/40/28/09/351402809.db2.gz XMFVTGUYKUBIKF-BPLDGKMQSA-N 2 1 254.418 2.251 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@H]3CC[C@@H](C)[NH2+]C3)CC2)n1 ZINC000629542403 351403651 /nfs/dbraw/zinc/40/36/51/351403651.db2.gz YYLIWQDJQRHBDB-OFVDZJKFSA-N 2 1 278.400 2.134 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000629655445 351452194 /nfs/dbraw/zinc/45/21/94/351452194.db2.gz WXGXAPWUWCLUSE-ONEGZZNKSA-N 2 1 266.360 2.007 20 0 CEADMP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629550960 351410420 /nfs/dbraw/zinc/41/04/20/351410420.db2.gz QYSIBWPLFYXUPW-WJLOJVBCSA-N 2 1 298.377 2.160 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000629556198 351412765 /nfs/dbraw/zinc/41/27/65/351412765.db2.gz NMGHCELXOVVGAE-IIAWOOMASA-N 2 1 293.455 2.040 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC000629570591 351417366 /nfs/dbraw/zinc/41/73/66/351417366.db2.gz DPLHCUQEUUIHAT-GFCCVEGCSA-N 2 1 254.349 2.055 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000629572619 351418800 /nfs/dbraw/zinc/41/88/00/351418800.db2.gz ZHZZKEBOGKEAPC-INIZCTEOSA-N 2 1 276.424 2.274 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)CCCc1c(F)cccc1F ZINC000629572309 351418924 /nfs/dbraw/zinc/41/89/24/351418924.db2.gz QADASKMZZBPNAV-UHFFFAOYSA-N 2 1 286.366 2.065 20 0 CEADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+](C)CCOCC[NH3+] ZINC000629577822 351420651 /nfs/dbraw/zinc/42/06/51/351420651.db2.gz JXWRLQZMJFRACR-ZDUSSCGKSA-N 2 1 289.379 2.310 20 0 CEADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)CCOCC[NH3+] ZINC000629577822 351420654 /nfs/dbraw/zinc/42/06/54/351420654.db2.gz JXWRLQZMJFRACR-ZDUSSCGKSA-N 2 1 289.379 2.310 20 0 CEADMP CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)CCOCC[NH3+] ZINC000629578615 351421192 /nfs/dbraw/zinc/42/11/92/351421192.db2.gz JRMOYWVKVNSISU-AWEZNQCLSA-N 2 1 272.339 2.323 20 0 CEADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000629581381 351421895 /nfs/dbraw/zinc/42/18/95/351421895.db2.gz YSLBRZUVDALKLH-NVXWUHKLSA-N 2 1 276.424 2.477 20 0 CEADMP Cc1cccc(OCC[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000070170446 363044050 /nfs/dbraw/zinc/04/40/50/363044050.db2.gz PPGZLLAUECQZBW-HNNXBMFYSA-N 2 1 262.397 2.435 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000070171752 363044533 /nfs/dbraw/zinc/04/45/33/363044533.db2.gz XISTVLFYBFHPLO-DOMZBBRYSA-N 2 1 260.381 2.181 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000070174619 363048837 /nfs/dbraw/zinc/04/88/37/363048837.db2.gz ZQQHDKWLHRKAGS-QWHCGFSZSA-N 2 1 293.386 2.214 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131475912 366056529 /nfs/dbraw/zinc/05/65/29/366056529.db2.gz NUCHYSUYJFMHER-GJZGRUSLSA-N 2 1 283.460 2.084 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131475912 366056534 /nfs/dbraw/zinc/05/65/34/366056534.db2.gz NUCHYSUYJFMHER-GJZGRUSLSA-N 2 1 283.460 2.084 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131476118 366056944 /nfs/dbraw/zinc/05/69/44/366056944.db2.gz NUCHYSUYJFMHER-LSDHHAIUSA-N 2 1 283.460 2.084 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131476118 366056952 /nfs/dbraw/zinc/05/69/52/366056952.db2.gz NUCHYSUYJFMHER-LSDHHAIUSA-N 2 1 283.460 2.084 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCN(c3ccccc3F)C2)CC1 ZINC000291673077 198058197 /nfs/dbraw/zinc/05/81/97/198058197.db2.gz GRTUROPVGSJJEM-AWEZNQCLSA-N 2 1 277.387 2.088 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc2ccccc2n1 ZINC000131483364 366058853 /nfs/dbraw/zinc/05/88/53/366058853.db2.gz JRYKECMKOSRQEC-QWHCGFSZSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C[NH+](C)C ZINC000291704843 198064353 /nfs/dbraw/zinc/06/43/53/198064353.db2.gz KPOCUNWUQOWAGU-NUJGCVRESA-N 2 1 289.467 2.294 20 0 CEADMP C[C@H](C[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)C[NH+](C)C ZINC000291704843 198064354 /nfs/dbraw/zinc/06/43/54/198064354.db2.gz KPOCUNWUQOWAGU-NUJGCVRESA-N 2 1 289.467 2.294 20 0 CEADMP Cc1cccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)[nH+]1 ZINC000678349005 539823675 /nfs/dbraw/zinc/82/36/75/539823675.db2.gz FQJLJFMKYIORSU-CQSZACIVSA-N 2 1 261.369 2.055 20 0 CEADMP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@H]2CC)CC1 ZINC000630802400 351855801 /nfs/dbraw/zinc/85/58/01/351855801.db2.gz PCJRHCONLCCCPA-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP NC[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000123438035 187091741 /nfs/dbraw/zinc/09/17/41/187091741.db2.gz GUJWFFNCHFYRCF-LLVKDONJSA-N 2 1 281.787 2.092 20 0 CEADMP NC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000123438035 187091742 /nfs/dbraw/zinc/09/17/42/187091742.db2.gz GUJWFFNCHFYRCF-LLVKDONJSA-N 2 1 281.787 2.092 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCOCC(F)(F)F ZINC000123671510 187104530 /nfs/dbraw/zinc/10/45/30/187104530.db2.gz LWHSBHBLSPCJRI-LLVKDONJSA-N 2 1 270.339 2.261 20 0 CEADMP COC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195052 352010758 /nfs/dbraw/zinc/01/07/58/352010758.db2.gz AOSRSWJLKXBXJP-HLLBOEOZSA-N 2 1 276.424 2.379 20 0 CEADMP Cc1cc2ncc([C@H](C)[NH2+]CCn3cc[nH+]c3C)c(C)n2n1 ZINC000271499948 191177420 /nfs/dbraw/zinc/17/74/20/191177420.db2.gz LJGXEDCZHQWNIS-LBPRGKRZSA-N 2 1 298.394 2.202 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000430928321 539933171 /nfs/dbraw/zinc/93/31/71/539933171.db2.gz SWQQCEQPXVUKRQ-DOMZBBRYSA-N 2 1 280.437 2.456 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292241750 198214631 /nfs/dbraw/zinc/21/46/31/198214631.db2.gz WVAMFTLCMIHHFZ-IRXDYDNUSA-N 2 1 274.408 2.402 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292241750 198214633 /nfs/dbraw/zinc/21/46/33/198214633.db2.gz WVAMFTLCMIHHFZ-IRXDYDNUSA-N 2 1 274.408 2.402 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292241750 198214634 /nfs/dbraw/zinc/21/46/34/198214634.db2.gz WVAMFTLCMIHHFZ-IRXDYDNUSA-N 2 1 274.408 2.402 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000569378431 299199217 /nfs/dbraw/zinc/19/92/17/299199217.db2.gz RCHAJAOQXKBCDG-RRFJBIMHSA-N 2 1 253.434 2.110 20 0 CEADMP CC[C@@H]1CCCCN1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000569378431 299199219 /nfs/dbraw/zinc/19/92/19/299199219.db2.gz RCHAJAOQXKBCDG-RRFJBIMHSA-N 3 1 253.434 2.110 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccccc3)CC[C@@H]21 ZINC000158577879 188383204 /nfs/dbraw/zinc/38/32/04/188383204.db2.gz IDMNFQXGIBLQCN-WBVHZDCISA-N 2 1 274.408 2.482 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccccc3)CC[C@@H]21 ZINC000158577879 188383206 /nfs/dbraw/zinc/38/32/06/188383206.db2.gz IDMNFQXGIBLQCN-WBVHZDCISA-N 2 1 274.408 2.482 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccccc3)CC[C@@H]21 ZINC000158577879 188383207 /nfs/dbraw/zinc/38/32/07/188383207.db2.gz IDMNFQXGIBLQCN-WBVHZDCISA-N 2 1 274.408 2.482 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000494921945 291005134 /nfs/dbraw/zinc/00/51/34/291005134.db2.gz JZNQXVKVULNTBJ-HRCADAONSA-N 2 1 267.461 2.038 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C12CCC2 ZINC000132020689 366110276 /nfs/dbraw/zinc/11/02/76/366110276.db2.gz QYRJQWGBMMERRN-LJISPDSOSA-N 2 1 266.429 2.264 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C12CCC2 ZINC000132020689 366110278 /nfs/dbraw/zinc/11/02/78/366110278.db2.gz QYRJQWGBMMERRN-LJISPDSOSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](CC)CC ZINC000356329755 370661555 /nfs/dbraw/zinc/66/15/55/370661555.db2.gz BAWFVNYEIABNHG-RBSFLKMASA-N 2 1 283.460 2.048 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CCc2sccc2C1 ZINC000132862844 366175650 /nfs/dbraw/zinc/17/56/50/366175650.db2.gz SCZZZTPXUOZPKG-ZFWWWQNUSA-N 2 1 293.480 2.036 20 0 CEADMP CO[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1C ZINC000451542766 283027430 /nfs/dbraw/zinc/02/74/30/283027430.db2.gz KJPMACZHNUSAIM-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC000451542766 283027433 /nfs/dbraw/zinc/02/74/33/283027433.db2.gz KJPMACZHNUSAIM-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC000451542766 283027436 /nfs/dbraw/zinc/02/74/36/283027436.db2.gz KJPMACZHNUSAIM-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CCO[C@@H]1CC[N@H+](CCCn2cc[nH+]c2C)C[C@@H]1C ZINC000451547044 283029498 /nfs/dbraw/zinc/02/94/98/283029498.db2.gz SWDMUJVWXPAEIO-DZGCQCFKSA-N 2 1 265.401 2.329 20 0 CEADMP CCO[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C[C@@H]1C ZINC000451547044 283029501 /nfs/dbraw/zinc/02/95/01/283029501.db2.gz SWDMUJVWXPAEIO-DZGCQCFKSA-N 2 1 265.401 2.329 20 0 CEADMP CC[C@@H]1CCC[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000569867867 299223635 /nfs/dbraw/zinc/22/36/35/299223635.db2.gz PWLYYOPCYDCMKN-HUUCEWRRSA-N 2 1 268.445 2.392 20 0 CEADMP CCc1nnc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)o1 ZINC000328704965 202022115 /nfs/dbraw/zinc/02/21/15/202022115.db2.gz KVWSFBXAGWPPDH-AVGNSLFASA-N 2 1 289.383 2.473 20 0 CEADMP CCc1nnc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)o1 ZINC000328704965 202022118 /nfs/dbraw/zinc/02/21/18/202022118.db2.gz KVWSFBXAGWPPDH-AVGNSLFASA-N 2 1 289.383 2.473 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000257639687 540101555 /nfs/dbraw/zinc/10/15/55/540101555.db2.gz APENLGLYKNEUEP-MRXNPFEDSA-N 2 1 260.381 2.271 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000257639687 540101558 /nfs/dbraw/zinc/10/15/58/540101558.db2.gz APENLGLYKNEUEP-MRXNPFEDSA-N 2 1 260.381 2.271 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000519758543 540128587 /nfs/dbraw/zinc/12/85/87/540128587.db2.gz KVENMSDDDNGKID-HYVNUMGLSA-N 2 1 276.424 2.382 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000519758543 540128589 /nfs/dbraw/zinc/12/85/89/540128589.db2.gz KVENMSDDDNGKID-HYVNUMGLSA-N 2 1 276.424 2.382 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000519758543 540128591 /nfs/dbraw/zinc/12/85/91/540128591.db2.gz KVENMSDDDNGKID-HYVNUMGLSA-N 2 1 276.424 2.382 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000519758543 540128592 /nfs/dbraw/zinc/12/85/92/540128592.db2.gz KVENMSDDDNGKID-HYVNUMGLSA-N 2 1 276.424 2.382 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000381070381 540138305 /nfs/dbraw/zinc/13/83/05/540138305.db2.gz OWNHOGGYMMFEED-MRXNPFEDSA-N 2 1 262.397 2.135 20 0 CEADMP COC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000495692756 291066561 /nfs/dbraw/zinc/06/65/61/291066561.db2.gz XHNFYRGBXXUKMY-IUODEOHRSA-N 2 1 291.395 2.295 20 0 CEADMP COCc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000383329054 540172375 /nfs/dbraw/zinc/17/23/75/540172375.db2.gz YIVCOSQQCXAKMY-IRXDYDNUSA-N 2 1 274.408 2.394 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000273601016 192224923 /nfs/dbraw/zinc/22/49/23/192224923.db2.gz LZGKFHNSUMXKTR-AWEZNQCLSA-N 2 1 275.396 2.339 20 0 CEADMP Cn1cnc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000414122549 540236310 /nfs/dbraw/zinc/23/63/10/540236310.db2.gz IULNXOWATLIFBK-FUHWJXTLSA-N 2 1 298.434 2.388 20 0 CEADMP Cn1cnc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000414122549 540236312 /nfs/dbraw/zinc/23/63/12/540236312.db2.gz IULNXOWATLIFBK-FUHWJXTLSA-N 2 1 298.434 2.388 20 0 CEADMP CC(C)C[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338273558 366265105 /nfs/dbraw/zinc/26/51/05/366265105.db2.gz GJOBLRJZJLXGDF-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338273558 366265110 /nfs/dbraw/zinc/26/51/10/366265110.db2.gz GJOBLRJZJLXGDF-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000338289252 366275521 /nfs/dbraw/zinc/27/55/21/366275521.db2.gz XDPLIJAPAPILRH-UHFFFAOYSA-N 3 1 266.433 2.245 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000684370684 540253719 /nfs/dbraw/zinc/25/37/19/540253719.db2.gz GKQYBBMGJVRDHT-ZIAGYGMSSA-N 2 1 251.374 2.129 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000353493618 283188106 /nfs/dbraw/zinc/18/81/06/283188106.db2.gz XFJXSLAOACQBFC-DZKIICNBSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000353493618 283188107 /nfs/dbraw/zinc/18/81/07/283188107.db2.gz XFJXSLAOACQBFC-DZKIICNBSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000353493618 283188108 /nfs/dbraw/zinc/18/81/08/283188108.db2.gz XFJXSLAOACQBFC-DZKIICNBSA-N 2 1 267.461 2.179 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@@H]2C1 ZINC000365517584 283212806 /nfs/dbraw/zinc/21/28/06/283212806.db2.gz UALOXUGQVCVWSC-PHIMTYICSA-N 2 1 250.308 2.212 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CCCCC(F)(F)F)C[C@@H]2C1 ZINC000365517584 283212808 /nfs/dbraw/zinc/21/28/08/283212808.db2.gz UALOXUGQVCVWSC-PHIMTYICSA-N 2 1 250.308 2.212 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@@H]2C1 ZINC000365517584 283212810 /nfs/dbraw/zinc/21/28/10/283212810.db2.gz UALOXUGQVCVWSC-PHIMTYICSA-N 2 1 250.308 2.212 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCCCC(F)(F)F)C[C@@H]2C1 ZINC000365517584 283212811 /nfs/dbraw/zinc/21/28/11/283212811.db2.gz UALOXUGQVCVWSC-PHIMTYICSA-N 2 1 250.308 2.212 20 0 CEADMP CCc1ccc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000575803445 366360494 /nfs/dbraw/zinc/36/04/94/366360494.db2.gz NKAGHWNXMDFLOD-IAGOWNOFSA-N 2 1 258.409 2.333 20 0 CEADMP C[C@@](C[NH3+])([NH2+]Cc1cc2c(c(Cl)c1)OCO2)C1CC1 ZINC000575923295 366374316 /nfs/dbraw/zinc/37/43/16/366374316.db2.gz BUDZFSOSAYTUKX-AWEZNQCLSA-N 2 1 282.771 2.286 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](O)CC(C)(C)C1 ZINC000336235848 213066467 /nfs/dbraw/zinc/06/64/67/213066467.db2.gz PTJDGBMCTBICND-CABCVRRESA-N 2 1 268.445 2.344 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000570630418 299268510 /nfs/dbraw/zinc/26/85/10/299268510.db2.gz ICKSMUGKVHCGRJ-RCCFBDPRSA-N 2 1 290.451 2.300 20 0 CEADMP CCC[NH+]1CCC(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000252390110 283320983 /nfs/dbraw/zinc/32/09/83/283320983.db2.gz MLEMMVFFPMSULZ-IJEWVQPXSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CS1 ZINC000414493534 236387229 /nfs/dbraw/zinc/38/72/29/236387229.db2.gz CDLXQXIXINKSLW-JQWIXIFHSA-N 2 1 251.399 2.131 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000338548141 366408022 /nfs/dbraw/zinc/40/80/22/366408022.db2.gz YFBWDZWFASAHQK-OAHLLOKOSA-N 2 1 296.455 2.384 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C12CCCCC2 ZINC000578334189 366479123 /nfs/dbraw/zinc/47/91/23/366479123.db2.gz CHPOVMMRPWPXRC-BZUAXINKSA-N 2 1 298.471 2.017 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccc(C)cc1 ZINC000578334205 366479258 /nfs/dbraw/zinc/47/92/58/366479258.db2.gz CPTFUUOIEGTLRX-SJORKVTESA-N 2 1 276.424 2.445 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccc(C)cc1 ZINC000578334205 366479261 /nfs/dbraw/zinc/47/92/61/366479261.db2.gz CPTFUUOIEGTLRX-SJORKVTESA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000578334205 366479264 /nfs/dbraw/zinc/47/92/64/366479264.db2.gz CPTFUUOIEGTLRX-SJORKVTESA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000578334205 366479265 /nfs/dbraw/zinc/47/92/65/366479265.db2.gz CPTFUUOIEGTLRX-SJORKVTESA-N 2 1 276.424 2.445 20 0 CEADMP COc1nc2ccccc2cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000578619066 366521608 /nfs/dbraw/zinc/52/16/08/366521608.db2.gz NYKUQJYGEJDZBN-SWLSCSKDSA-N 2 1 285.391 2.331 20 0 CEADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1nccs1 ZINC000080279998 363654630 /nfs/dbraw/zinc/65/46/30/363654630.db2.gz BNSKYEBFUFMMDD-LLVKDONJSA-N 2 1 250.371 2.389 20 0 CEADMP CC[C@H]1CCCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000311104689 540454329 /nfs/dbraw/zinc/45/43/29/540454329.db2.gz CZRMNCPVCAKPCG-GJZGRUSLSA-N 2 1 256.434 2.342 20 0 CEADMP CC[C@H]1CCCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000311104689 540454332 /nfs/dbraw/zinc/45/43/32/540454332.db2.gz CZRMNCPVCAKPCG-GJZGRUSLSA-N 2 1 256.434 2.342 20 0 CEADMP CC[C@H]1CCCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000311104689 540454335 /nfs/dbraw/zinc/45/43/35/540454335.db2.gz CZRMNCPVCAKPCG-GJZGRUSLSA-N 2 1 256.434 2.342 20 0 CEADMP C[C@@H]1CSCC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000668057891 540559838 /nfs/dbraw/zinc/55/98/38/540559838.db2.gz AEIMJXKBMLCTPZ-NSHDSACASA-N 2 1 251.399 2.014 20 0 CEADMP CO[C@@H]1CCC[N@@H+](Cc2ccnn2-c2ccncc2)CC1 ZINC000667967753 540543795 /nfs/dbraw/zinc/54/37/95/540543795.db2.gz YYCYAPILGOOKRS-MRXNPFEDSA-N 2 1 286.379 2.268 20 0 CEADMP CO[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667967753 540543799 /nfs/dbraw/zinc/54/37/99/540543799.db2.gz YYCYAPILGOOKRS-MRXNPFEDSA-N 2 1 286.379 2.268 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000336235848 213066468 /nfs/dbraw/zinc/06/64/68/213066468.db2.gz PTJDGBMCTBICND-CABCVRRESA-N 2 1 268.445 2.344 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000336235848 213066471 /nfs/dbraw/zinc/06/64/71/213066471.db2.gz PTJDGBMCTBICND-CABCVRRESA-N 2 1 268.445 2.344 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000579022698 366583098 /nfs/dbraw/zinc/58/30/98/366583098.db2.gz SWUUHOQRLBXBHR-QGZVFWFLSA-N 2 1 287.407 2.408 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H](CCO)c1ccccc1 ZINC000579022698 366583107 /nfs/dbraw/zinc/58/31/07/366583107.db2.gz SWUUHOQRLBXBHR-QGZVFWFLSA-N 2 1 287.407 2.408 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]C2(C(=O)Nc3ccccc3)CC2)C1 ZINC000571226018 299300437 /nfs/dbraw/zinc/30/04/37/299300437.db2.gz HIFMGLJXOCDRID-GXTWGEPZSA-N 2 1 273.380 2.017 20 0 CEADMP [NH3+]C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1CC1 ZINC000414798319 283494984 /nfs/dbraw/zinc/49/49/84/283494984.db2.gz BZDGCVHWMUFYFW-ILDUYXDCSA-N 2 1 250.308 2.434 20 0 CEADMP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000150804524 366598632 /nfs/dbraw/zinc/59/86/32/366598632.db2.gz JTEZFXZKAMXBRM-RHSMWYFYSA-N 2 1 292.398 2.277 20 0 CEADMP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000150804524 366598641 /nfs/dbraw/zinc/59/86/41/366598641.db2.gz JTEZFXZKAMXBRM-RHSMWYFYSA-N 2 1 292.398 2.277 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc2ccccc21 ZINC000579374797 366637591 /nfs/dbraw/zinc/63/75/91/366637591.db2.gz ZZGCWNVYFUWPLO-AAEUAGOBSA-N 2 1 259.353 2.435 20 0 CEADMP Fc1cccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339066029 366638499 /nfs/dbraw/zinc/63/84/99/366638499.db2.gz AKFUJAFHEIITQR-GJZGRUSLSA-N 2 1 278.371 2.421 20 0 CEADMP OCCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000339072274 366640407 /nfs/dbraw/zinc/64/04/07/366640407.db2.gz VOZONXODWMKCSE-CABCVRRESA-N 2 1 266.429 2.146 20 0 CEADMP Cc1cnn(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000341913303 216150952 /nfs/dbraw/zinc/15/09/52/216150952.db2.gz RQMWFINYFIOHJH-NVXWUHKLSA-N 2 1 288.439 2.140 20 0 CEADMP Cc1cnn(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000341913303 216150954 /nfs/dbraw/zinc/15/09/54/216150954.db2.gz RQMWFINYFIOHJH-NVXWUHKLSA-N 2 1 288.439 2.140 20 0 CEADMP Cc1cnn(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000341913303 216150956 /nfs/dbraw/zinc/15/09/56/216150956.db2.gz RQMWFINYFIOHJH-NVXWUHKLSA-N 2 1 288.439 2.140 20 0 CEADMP Cc1cnn(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000341913303 216150958 /nfs/dbraw/zinc/15/09/58/216150958.db2.gz RQMWFINYFIOHJH-NVXWUHKLSA-N 2 1 288.439 2.140 20 0 CEADMP CCc1nc(NCCCC[NH+](CC)CC)cc(C)[nH+]1 ZINC000341933581 216157924 /nfs/dbraw/zinc/15/79/24/216157924.db2.gz PKXUGRYNPMACGF-UHFFFAOYSA-N 2 1 264.417 2.303 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)[C@H](C)C1 ZINC000178562343 189127000 /nfs/dbraw/zinc/12/70/00/189127000.db2.gz LTFLUEJLSPQZJF-WBMJQRKESA-N 2 1 280.387 2.138 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)[C@H](C)C1 ZINC000178562343 189127001 /nfs/dbraw/zinc/12/70/01/189127001.db2.gz LTFLUEJLSPQZJF-WBMJQRKESA-N 2 1 280.387 2.138 20 0 CEADMP C[NH2+]CCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000178661937 189135878 /nfs/dbraw/zinc/13/58/78/189135878.db2.gz XLTJPXNQTNRJOV-AWEZNQCLSA-N 2 1 297.830 2.059 20 0 CEADMP CC(C)[NH2+][C@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000675495591 540846986 /nfs/dbraw/zinc/84/69/86/540846986.db2.gz GKQVCCFMCNMNHJ-JKSUJKDBSA-N 2 1 267.461 2.323 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc(C)cs2)[C@H](C)C1 ZINC000675748139 540870634 /nfs/dbraw/zinc/87/06/34/540870634.db2.gz BNGNQTAMYRIJFW-YPMHNXCESA-N 2 1 267.442 2.314 20 0 CEADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000675817582 540875941 /nfs/dbraw/zinc/87/59/41/540875941.db2.gz TVCVIJUZMXIACC-UMVBOHGHSA-N 2 1 262.397 2.396 20 0 CEADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000675817582 540875945 /nfs/dbraw/zinc/87/59/45/540875945.db2.gz TVCVIJUZMXIACC-UMVBOHGHSA-N 2 1 262.397 2.396 20 0 CEADMP CCOC(=O)C[C@@](C)([NH2+]CCCc1c[nH+]cn1C)C(C)C ZINC000571653536 299321980 /nfs/dbraw/zinc/32/19/80/299321980.db2.gz ULKNRPPZSHXSCE-MRXNPFEDSA-N 2 1 295.427 2.310 20 0 CEADMP CCOC(=O)CCCCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152472450 366699600 /nfs/dbraw/zinc/69/96/00/366699600.db2.gz IYNJPMBJOSLBCC-OAHLLOKOSA-N 2 1 284.444 2.384 20 0 CEADMP CCOC(=O)CCCCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152472450 366699604 /nfs/dbraw/zinc/69/96/04/366699604.db2.gz IYNJPMBJOSLBCC-OAHLLOKOSA-N 2 1 284.444 2.384 20 0 CEADMP CCOC(=O)CCCCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152472450 366699609 /nfs/dbraw/zinc/69/96/09/366699609.db2.gz IYNJPMBJOSLBCC-OAHLLOKOSA-N 2 1 284.444 2.384 20 0 CEADMP C[N@@H+](Cc1ccccc1CNC(=O)C[NH3+])C1CCCCC1 ZINC000237151590 370694644 /nfs/dbraw/zinc/69/46/44/370694644.db2.gz AGBDCHPEKWEDRV-UHFFFAOYSA-N 2 1 289.423 2.026 20 0 CEADMP [NH3+]Cc1ccc(-c2noc([C@H]3CCn4cc[nH+]c4C3)n2)cc1 ZINC000580193628 366763606 /nfs/dbraw/zinc/76/36/06/366763606.db2.gz LQAZBIYVXQHSNG-ZDUSSCGKSA-N 2 1 295.346 2.122 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c2ccccc21 ZINC000154340557 366768318 /nfs/dbraw/zinc/76/83/18/366768318.db2.gz ROZVWXRGXIDFSW-DVOMOZLQSA-N 2 1 262.397 2.137 20 0 CEADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154356076 366769066 /nfs/dbraw/zinc/76/90/66/366769066.db2.gz DBGIJSOBMQYYEX-IRXDYDNUSA-N 2 1 278.440 2.156 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000154571561 366779513 /nfs/dbraw/zinc/77/95/13/366779513.db2.gz RASIDUWGBSLOQH-KBPBESRZSA-N 2 1 292.427 2.127 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000678046396 541072358 /nfs/dbraw/zinc/07/23/58/541072358.db2.gz TVHYXNVNMMTHHB-QGZVFWFLSA-N 2 1 298.471 2.236 20 0 CEADMP Cc1nccn1CCCC[N@@H+](CCO)CC(C)(C)C ZINC000678076988 541077551 /nfs/dbraw/zinc/07/75/51/541077551.db2.gz UTQZBKMMPURPOT-UHFFFAOYSA-N 2 1 267.417 2.312 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)CC(C)(C)C ZINC000678076988 541077554 /nfs/dbraw/zinc/07/75/54/541077554.db2.gz UTQZBKMMPURPOT-UHFFFAOYSA-N 2 1 267.417 2.312 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)CC(C)(C)C ZINC000678076988 541077557 /nfs/dbraw/zinc/07/75/57/541077557.db2.gz UTQZBKMMPURPOT-UHFFFAOYSA-N 2 1 267.417 2.312 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](n2ccnc2)C1 ZINC000678076336 541077760 /nfs/dbraw/zinc/07/77/60/541077760.db2.gz XGZRATQGIDIUTN-GJZGRUSLSA-N 2 1 262.401 2.004 20 0 CEADMP C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](n2ccnc2)C1 ZINC000678076336 541077770 /nfs/dbraw/zinc/07/77/70/541077770.db2.gz XGZRATQGIDIUTN-GJZGRUSLSA-N 3 1 262.401 2.004 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@H](n2ccnc2)C1 ZINC000678076336 541077774 /nfs/dbraw/zinc/07/77/74/541077774.db2.gz XGZRATQGIDIUTN-GJZGRUSLSA-N 3 1 262.401 2.004 20 0 CEADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000571797144 299328722 /nfs/dbraw/zinc/32/87/22/299328722.db2.gz IWBPDWPVVKAVAU-CABCVRRESA-N 2 1 283.460 2.083 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000571819854 299330051 /nfs/dbraw/zinc/33/00/51/299330051.db2.gz LNHPOBUHLQMBEA-UHFFFAOYSA-N 2 1 282.815 2.276 20 0 CEADMP CN(CCC[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000019906504 361566266 /nfs/dbraw/zinc/56/62/66/361566266.db2.gz ISCZEIIQBCYLSZ-UHFFFAOYSA-N 2 1 261.413 2.197 20 0 CEADMP Cc1ncncc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000581834783 366826716 /nfs/dbraw/zinc/82/67/16/366826716.db2.gz ZUQDYAPJIHJMKK-TZMCWYRMSA-N 2 1 262.401 2.168 20 0 CEADMP C[N@H+](Cc1nc2c(s1)CCC2)CC1CC[NH+](C)CC1 ZINC000678824414 541179293 /nfs/dbraw/zinc/17/92/93/541179293.db2.gz ZFUAZRWGQIHYRV-UHFFFAOYSA-N 2 1 279.453 2.405 20 0 CEADMP C[C@@H](CCCCO)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000679335663 541257412 /nfs/dbraw/zinc/25/74/12/541257412.db2.gz PQLZSQRNIBGRQA-AWEZNQCLSA-N 2 1 256.434 2.392 20 0 CEADMP C[C@@H](CCCCO)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000679335663 541257414 /nfs/dbraw/zinc/25/74/14/541257414.db2.gz PQLZSQRNIBGRQA-AWEZNQCLSA-N 2 1 256.434 2.392 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000088100144 363877374 /nfs/dbraw/zinc/87/73/74/363877374.db2.gz NSUGKYDKNLMVNQ-CJNGLKHVSA-N 2 1 274.408 2.223 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(Cl)cn1 ZINC000090409505 364055603 /nfs/dbraw/zinc/05/56/03/364055603.db2.gz KSRVLLAZBMHQDT-DYEKYZERSA-N 2 1 297.830 2.432 20 0 CEADMP C[N@@H+]1CCN(C(=O)c2ccc(C[NH3+])cc2)c2ccccc2C1 ZINC000237199654 370699472 /nfs/dbraw/zinc/69/94/72/370699472.db2.gz YBRNPMCVRUAHAK-UHFFFAOYSA-N 2 1 295.386 2.238 20 0 CEADMP C[N@H+]1CCN(C(=O)c2ccc(C[NH3+])cc2)c2ccccc2C1 ZINC000237199654 370699479 /nfs/dbraw/zinc/69/94/79/370699479.db2.gz YBRNPMCVRUAHAK-UHFFFAOYSA-N 2 1 295.386 2.238 20 0 CEADMP Fc1cc(F)cc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c1 ZINC000334646743 364128776 /nfs/dbraw/zinc/12/87/76/364128776.db2.gz KMBSKJTYPWVSJP-LBPRGKRZSA-N 2 1 263.291 2.335 20 0 CEADMP C(CN1CCCCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093452761 364183455 /nfs/dbraw/zinc/18/34/55/364183455.db2.gz ZTWSAFIXYBDPIY-BBWFWOEESA-N 2 1 279.472 2.373 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC[NH+]1CCCC1 ZINC000093496748 364193533 /nfs/dbraw/zinc/19/35/33/364193533.db2.gz GSPXPICKUMCXCW-CVEARBPZSA-N 3 1 267.461 2.373 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@]2(CCCOC2)C1 ZINC000334708999 364214992 /nfs/dbraw/zinc/21/49/92/364214992.db2.gz RJDJBGAVCYTHNP-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000334708999 364214997 /nfs/dbraw/zinc/21/49/97/364214997.db2.gz RJDJBGAVCYTHNP-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000334708999 364215001 /nfs/dbraw/zinc/21/50/01/364215001.db2.gz RJDJBGAVCYTHNP-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638815533 370770948 /nfs/dbraw/zinc/77/09/48/370770948.db2.gz IXSDJHFUXALNAU-KBPBESRZSA-N 2 1 292.427 2.127 20 0 CEADMP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CC[NH2+]C1)CC2 ZINC000335057486 364412317 /nfs/dbraw/zinc/41/23/17/364412317.db2.gz HAZYTZDKNJCDRB-VXGBXAGGSA-N 2 1 295.224 2.258 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)nc1 ZINC000335144696 364537079 /nfs/dbraw/zinc/53/70/79/364537079.db2.gz LZRKXWUKRTUZQM-CYBMUJFWSA-N 2 1 256.353 2.113 20 0 CEADMP Fc1cc(F)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000335655528 212373919 /nfs/dbraw/zinc/37/39/19/212373919.db2.gz XASNVBQXXVTMNV-PBWFPOADSA-N 2 1 252.308 2.337 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000335220566 364644563 /nfs/dbraw/zinc/64/45/63/364644563.db2.gz VHSGLJWXQARXEK-YGRLFVJLSA-N 2 1 254.324 2.443 20 0 CEADMP CC1(C[NH2+][C@H]2C[C@@H](N)c3ccccc32)CC[NH2+]CC1 ZINC000335568839 364805457 /nfs/dbraw/zinc/80/54/57/364805457.db2.gz MKGHRZUSGJVBRD-CABCVRRESA-N 2 1 259.397 2.111 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000113513645 364902226 /nfs/dbraw/zinc/90/22/26/364902226.db2.gz MVVKPGWIOCGKQN-CYBMUJFWSA-N 2 1 293.386 2.038 20 0 CEADMP C1CC([NH+]2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)C1 ZINC000335928725 365174214 /nfs/dbraw/zinc/17/42/14/365174214.db2.gz QXYLGOVLCJLNBO-RDJZCZTQSA-N 2 1 277.456 2.220 20 0 CEADMP C[C@H]1CN(C)C[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000335959745 365220132 /nfs/dbraw/zinc/22/01/32/365220132.db2.gz YBCROSVWBRXBER-WMLDXEAASA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000119009377 365198727 /nfs/dbraw/zinc/19/87/27/365198727.db2.gz RFBHKLRBKFTPRL-OAGGEKHMSA-N 2 1 267.461 2.179 20 0 CEADMP Cc1ccc(C)c([C@@H]2C[N@H+](CCOCC[NH3+])[C@H](C)CO2)c1 ZINC000357070034 370804050 /nfs/dbraw/zinc/80/40/50/370804050.db2.gz FPBNEFANWZEQGF-WBVHZDCISA-N 2 1 292.423 2.041 20 0 CEADMP Cc1ccc(C)c([C@@H]2C[N@@H+](CCOCC[NH3+])[C@H](C)CO2)c1 ZINC000357070034 370804056 /nfs/dbraw/zinc/80/40/56/370804056.db2.gz FPBNEFANWZEQGF-WBVHZDCISA-N 2 1 292.423 2.041 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@H]2CC=CCC2)CCN1C1CC[NH+](C)CC1 ZINC000335998295 365270426 /nfs/dbraw/zinc/27/04/26/365270426.db2.gz WCPOVXFGUBOWKP-DLBZAZTESA-N 2 1 291.483 2.443 20 0 CEADMP C[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000119784799 365325756 /nfs/dbraw/zinc/32/57/56/365325756.db2.gz PIMRJWLVDBQDFV-PBHICJAKSA-N 2 1 274.408 2.418 20 0 CEADMP C[C@H]1OCC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000119971919 365354376 /nfs/dbraw/zinc/35/43/76/365354376.db2.gz LFOBUDQLCZHZEO-UKRRQHHQSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000582130864 366868344 /nfs/dbraw/zinc/86/83/44/366868344.db2.gz PYKVWQWOHQJXOI-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)C(C)C ZINC000120230652 365392660 /nfs/dbraw/zinc/39/26/60/365392660.db2.gz AVDLEXXBHQKLKL-HNNXBMFYSA-N 2 1 297.487 2.342 20 0 CEADMP C[N@H+]1CCN(CCC2CC[NH2+]CC2)C2(CCCCC2)C1 ZINC000336080958 365381697 /nfs/dbraw/zinc/38/16/97/365381697.db2.gz PZQCZHKOZPEZFR-UHFFFAOYSA-N 2 1 279.472 2.326 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)n1 ZINC000336124934 365444760 /nfs/dbraw/zinc/44/47/60/365444760.db2.gz LSRFQLCPRMVRCA-INIZCTEOSA-N 2 1 259.397 2.226 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(C)n1 ZINC000336124934 365444762 /nfs/dbraw/zinc/44/47/62/365444762.db2.gz LSRFQLCPRMVRCA-INIZCTEOSA-N 2 1 259.397 2.226 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)n1 ZINC000336124934 365444765 /nfs/dbraw/zinc/44/47/65/365444765.db2.gz LSRFQLCPRMVRCA-INIZCTEOSA-N 2 1 259.397 2.226 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)n1 ZINC000336124934 365444767 /nfs/dbraw/zinc/44/47/67/365444767.db2.gz LSRFQLCPRMVRCA-INIZCTEOSA-N 2 1 259.397 2.226 20 0 CEADMP CCCC[N@H+](CCO)CCCCn1cc[nH+]c1C ZINC000120651954 365456026 /nfs/dbraw/zinc/45/60/26/365456026.db2.gz DTWQUHDEGWMICJ-UHFFFAOYSA-N 2 1 253.390 2.066 20 0 CEADMP CCCC[N@@H+](CCO)CCCCn1cc[nH+]c1C ZINC000120651954 365456031 /nfs/dbraw/zinc/45/60/31/365456031.db2.gz DTWQUHDEGWMICJ-UHFFFAOYSA-N 2 1 253.390 2.066 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340473894 366899245 /nfs/dbraw/zinc/89/92/45/366899245.db2.gz DYVAPNHELZWXEL-CVEARBPZSA-N 3 1 267.461 2.182 20 0 CEADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340473894 366899251 /nfs/dbraw/zinc/89/92/51/366899251.db2.gz DYVAPNHELZWXEL-CVEARBPZSA-N 2 1 267.461 2.182 20 0 CEADMP C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340517138 366917299 /nfs/dbraw/zinc/91/72/99/366917299.db2.gz LJOUVJNGBAWSDW-ARLBYUKCSA-N 2 1 276.424 2.018 20 0 CEADMP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000340524537 366920978 /nfs/dbraw/zinc/92/09/78/366920978.db2.gz JJXYLQBUVQXOBB-JKSUJKDBSA-N 2 1 293.459 2.014 20 0 CEADMP C[C@H]1CC[NH2+][C@H](c2nc(C3([NH3+])CCCCC3)no2)C1 ZINC000582719981 366948966 /nfs/dbraw/zinc/94/89/66/366948966.db2.gz QIPCIGSSSXKMNA-QWRGUYRKSA-N 2 1 264.373 2.248 20 0 CEADMP c1cnc(Oc2ccc(C[NH2+]CCC[NH+]3CCC3)cc2)cn1 ZINC000572377411 299362690 /nfs/dbraw/zinc/36/26/90/299362690.db2.gz DJYYIIOLQPWEOV-UHFFFAOYSA-N 2 1 298.390 2.454 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000340664086 366974565 /nfs/dbraw/zinc/97/45/65/366974565.db2.gz YTWLHNAPDPKYOP-UHFFFAOYSA-N 2 1 263.385 2.326 20 0 CEADMP C[C@@H](CNc1[nH+]ccc2cc(F)ccc21)C[NH+](C)C ZINC000583022401 366990546 /nfs/dbraw/zinc/99/05/46/366990546.db2.gz ZTSBDYIGPAPHSI-NSHDSACASA-N 2 1 261.344 2.405 20 0 CEADMP COCC[N@H+](Cc1cccs1)C[C@]1(C)CC[NH2+]C1 ZINC000340712687 366998966 /nfs/dbraw/zinc/99/89/66/366998966.db2.gz PTMSFJLEBKXUSY-CQSZACIVSA-N 2 1 268.426 2.196 20 0 CEADMP COCC[N@@H+](Cc1cccs1)C[C@]1(C)CC[NH2+]C1 ZINC000340712687 366998967 /nfs/dbraw/zinc/99/89/67/366998967.db2.gz PTMSFJLEBKXUSY-CQSZACIVSA-N 2 1 268.426 2.196 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000583415615 367046038 /nfs/dbraw/zinc/04/60/38/367046038.db2.gz ZDRGQNZRVDNJJE-UHFFFAOYSA-N 2 1 299.418 2.171 20 0 CEADMP CN(C)c1ccccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335559776 212267094 /nfs/dbraw/zinc/26/70/94/212267094.db2.gz JANDCXWQTXODHN-UHFFFAOYSA-N 2 1 259.397 2.081 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000583928606 367116253 /nfs/dbraw/zinc/11/62/53/367116253.db2.gz KJRMQBSDIMRJFD-GJZGRUSLSA-N 2 1 285.395 2.017 20 0 CEADMP C[NH+](C)CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)C(C)(C)C ZINC000584004321 367129452 /nfs/dbraw/zinc/12/94/52/367129452.db2.gz HQCBARFNIIJOCW-RDBSUJKOSA-N 2 1 255.450 2.212 20 0 CEADMP Cc1c(Cl)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nn1C ZINC000335553340 212256537 /nfs/dbraw/zinc/25/65/37/212256537.db2.gz APDQNYWBOSALJA-STQMWFEESA-N 2 1 296.846 2.203 20 0 CEADMP Cc1c(Cl)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nn1C ZINC000335553340 212256540 /nfs/dbraw/zinc/25/65/40/212256540.db2.gz APDQNYWBOSALJA-STQMWFEESA-N 2 1 296.846 2.203 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000162890948 367200473 /nfs/dbraw/zinc/20/04/73/367200473.db2.gz WFWGJTMRFSSZHH-OAHLLOKOSA-N 2 1 273.384 2.115 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000162890948 367200480 /nfs/dbraw/zinc/20/04/80/367200480.db2.gz WFWGJTMRFSSZHH-OAHLLOKOSA-N 2 1 273.384 2.115 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000162890948 367200484 /nfs/dbraw/zinc/20/04/84/367200484.db2.gz WFWGJTMRFSSZHH-OAHLLOKOSA-N 2 1 273.384 2.115 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245594925 370846626 /nfs/dbraw/zinc/84/66/26/370846626.db2.gz LIEBZZSGLASDCF-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245594925 370846632 /nfs/dbraw/zinc/84/66/32/370846632.db2.gz LIEBZZSGLASDCF-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245594925 370846638 /nfs/dbraw/zinc/84/66/38/370846638.db2.gz LIEBZZSGLASDCF-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@](O)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000166679902 367327147 /nfs/dbraw/zinc/32/71/47/367327147.db2.gz JUSXUTXQWPXYIA-RBSFLKMASA-N 2 1 280.437 2.172 20 0 CEADMP Cn1c2ccccc2nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342082343 367385099 /nfs/dbraw/zinc/38/50/99/367385099.db2.gz IEFSFYWZALNPKT-MJBXVCDLSA-N 2 1 284.407 2.133 20 0 CEADMP Cn1c2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342082343 367385105 /nfs/dbraw/zinc/38/51/05/367385105.db2.gz IEFSFYWZALNPKT-MJBXVCDLSA-N 2 1 284.407 2.133 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC2(C)C)CC1 ZINC000342610801 367449654 /nfs/dbraw/zinc/44/96/54/367449654.db2.gz CDICHIJAILLZNN-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOCC1CCC1 ZINC000342878202 367582941 /nfs/dbraw/zinc/58/29/41/367582941.db2.gz ZPJKQSIUXVFVHV-UHFFFAOYSA-N 2 1 265.401 2.330 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOCC1CCC1 ZINC000342878202 367582948 /nfs/dbraw/zinc/58/29/48/367582948.db2.gz ZPJKQSIUXVFVHV-UHFFFAOYSA-N 2 1 265.401 2.330 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841304 367584417 /nfs/dbraw/zinc/58/44/17/367584417.db2.gz IXJRHBDVEQBXLH-QLFBSQMISA-N 2 1 289.423 2.157 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841304 367584421 /nfs/dbraw/zinc/58/44/21/367584421.db2.gz IXJRHBDVEQBXLH-QLFBSQMISA-N 2 1 289.423 2.157 20 0 CEADMP CCC[C@H](C)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000342927145 367599478 /nfs/dbraw/zinc/59/94/78/367599478.db2.gz NVIBLGNBSBZXDW-YESZJQIVSA-N 2 1 281.488 2.380 20 0 CEADMP CCc1noc(C)c1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887549 367608977 /nfs/dbraw/zinc/60/89/77/367608977.db2.gz ODXJJTPANSYTNJ-WFASDCNBSA-N 2 1 263.385 2.119 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887549 367608982 /nfs/dbraw/zinc/60/89/82/367608982.db2.gz ODXJJTPANSYTNJ-WFASDCNBSA-N 2 1 263.385 2.119 20 0 CEADMP c1cc(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc2c1OCC2 ZINC000631886627 367609289 /nfs/dbraw/zinc/60/92/89/367609289.db2.gz IKZWADUGOMZUQL-SJORKVTESA-N 2 1 286.419 2.238 20 0 CEADMP COc1cccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631889184 367610621 /nfs/dbraw/zinc/61/06/21/367610621.db2.gz CXWQPAWGWQUBRD-RHSMWYFYSA-N 2 1 290.407 2.148 20 0 CEADMP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccccc1 ZINC000631888300 367611378 /nfs/dbraw/zinc/61/13/78/367611378.db2.gz UYNMAWXHJAMKGL-GOEBONIOSA-N 2 1 287.407 2.089 20 0 CEADMP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccccc1 ZINC000631888300 367611381 /nfs/dbraw/zinc/61/13/81/367611381.db2.gz UYNMAWXHJAMKGL-GOEBONIOSA-N 2 1 287.407 2.089 20 0 CEADMP Cc1[nH+]ccn1CCCN1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000631894620 367615001 /nfs/dbraw/zinc/61/50/01/367615001.db2.gz YUOHDPHQUQRUPG-OAHLLOKOSA-N 2 1 284.407 2.219 20 0 CEADMP CC[N@@H+]1C[C@H](NCCC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000343066535 367655291 /nfs/dbraw/zinc/65/52/91/367655291.db2.gz LNODBRGHPWJLEK-WMZOPIPTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+]1C[C@H](NCCC[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000343066535 367655297 /nfs/dbraw/zinc/65/52/97/367655297.db2.gz LNODBRGHPWJLEK-WMZOPIPTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+]1C[C@H](NCCC[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000343066535 367655303 /nfs/dbraw/zinc/65/53/03/367655303.db2.gz LNODBRGHPWJLEK-WMZOPIPTSA-N 2 1 289.467 2.438 20 0 CEADMP CCc1nc(C)cc(NC[C@H]2CCCC[N@H+]2C2CC2)n1 ZINC000343103126 367669475 /nfs/dbraw/zinc/66/94/75/367669475.db2.gz OLSOXNMTHKWZJX-CQSZACIVSA-N 2 1 274.412 2.198 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](CCc2cccnc2)CC1 ZINC000172162946 367687707 /nfs/dbraw/zinc/68/77/07/367687707.db2.gz UJIOLIZPQYVSII-UHFFFAOYSA-N 2 1 284.407 2.312 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC000358019968 370873301 /nfs/dbraw/zinc/87/33/01/370873301.db2.gz MAUAXTPCQVYYTC-IUODEOHRSA-N 2 1 266.360 2.134 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000343427929 367808739 /nfs/dbraw/zinc/80/87/39/367808739.db2.gz KYFGRBRGPTXCPR-HRCADAONSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1C[C@H](C)[C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)C1 ZINC000343427929 367808741 /nfs/dbraw/zinc/80/87/41/367808741.db2.gz KYFGRBRGPTXCPR-HRCADAONSA-N 2 1 267.461 2.038 20 0 CEADMP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000173395367 367906386 /nfs/dbraw/zinc/90/63/86/367906386.db2.gz GPSSULHONWLXOW-OAHLLOKOSA-N 2 1 289.423 2.207 20 0 CEADMP COC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000245995626 370897174 /nfs/dbraw/zinc/89/71/74/370897174.db2.gz FEGLIYXTIZSKGX-HZPDHXFCSA-N 2 1 262.397 2.448 20 0 CEADMP COC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000245995626 370897177 /nfs/dbraw/zinc/89/71/77/370897177.db2.gz FEGLIYXTIZSKGX-HZPDHXFCSA-N 2 1 262.397 2.448 20 0 CEADMP C[C@@H](c1ccccc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174724935 368059989 /nfs/dbraw/zinc/05/99/89/368059989.db2.gz BTHZUXLJOIELJZ-INIZCTEOSA-N 2 1 275.440 2.317 20 0 CEADMP CC[N@@H+]1C[C@H](NCC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000343788171 368004771 /nfs/dbraw/zinc/00/47/71/368004771.db2.gz UWLXOJXSWLICTC-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1C[C@H](NCC[N@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC000343788171 368004777 /nfs/dbraw/zinc/00/47/77/368004777.db2.gz UWLXOJXSWLICTC-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1C[C@H](NCC[N@@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC000343788171 368004785 /nfs/dbraw/zinc/00/47/85/368004785.db2.gz UWLXOJXSWLICTC-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP [NH3+]CC1CCC([N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000335525058 212214991 /nfs/dbraw/zinc/21/49/91/212214991.db2.gz AJMCLBUKQPMJQA-NRXISQOPSA-N 2 1 252.402 2.006 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn2ccccc2n1 ZINC000174350172 368012810 /nfs/dbraw/zinc/01/28/10/368012810.db2.gz DTTSYZYDGQAZIL-ZDUSSCGKSA-N 2 1 283.379 2.265 20 0 CEADMP CCCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@H]1CC ZINC000633024589 368028795 /nfs/dbraw/zinc/02/87/95/368028795.db2.gz ZQYUOWQXLHYCBW-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1ccc(CC[N@H+](C)CCCN(C)CC[NH+](C)C)cc1 ZINC000344096982 368106606 /nfs/dbraw/zinc/10/66/06/368106606.db2.gz XNPJZXOHWYJXQU-UHFFFAOYSA-N 2 1 291.483 2.353 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000344730616 368134097 /nfs/dbraw/zinc/13/40/97/368134097.db2.gz YKXVKNWIBRLWNH-RHSMWYFYSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000178780129 368311547 /nfs/dbraw/zinc/31/15/47/368311547.db2.gz NKFFYOORYNDKRL-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP C[N@@H+](Cc1ccc(O)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000682406649 541659770 /nfs/dbraw/zinc/65/97/70/541659770.db2.gz HNWICDXCLZRTQV-CQSZACIVSA-N 2 1 271.364 2.283 20 0 CEADMP C[N@H+](Cc1ccc(O)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000682406649 541659771 /nfs/dbraw/zinc/65/97/71/541659771.db2.gz HNWICDXCLZRTQV-CQSZACIVSA-N 2 1 271.364 2.283 20 0 CEADMP CCC[C@]1(C)CCC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414697177 284054428 /nfs/dbraw/zinc/05/44/28/284054428.db2.gz IFFNEOCFYFOZCG-DOTOQJQBSA-N 2 1 295.471 2.086 20 0 CEADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000181911338 368505671 /nfs/dbraw/zinc/50/56/71/368505671.db2.gz WKZBJYRDUGHWNO-GFCCVEGCSA-N 2 1 263.385 2.247 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccnn1C ZINC000682643533 541692133 /nfs/dbraw/zinc/69/21/33/541692133.db2.gz PKKXEOLWPHNHPP-KKUMJFAQSA-N 2 1 278.444 2.232 20 0 CEADMP C[N@@H+](C[C@H](O)CCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000182407816 368560690 /nfs/dbraw/zinc/56/06/90/368560690.db2.gz YPKMLVITFCMEDL-QZTJIDSGSA-N 2 1 290.451 2.254 20 0 CEADMP C[NH+](C[C@H](O)CCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000182407816 368560697 /nfs/dbraw/zinc/56/06/97/368560697.db2.gz YPKMLVITFCMEDL-QZTJIDSGSA-N 2 1 290.451 2.254 20 0 CEADMP C[NH+](C[C@H](O)CCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000182407816 368560700 /nfs/dbraw/zinc/56/07/00/368560700.db2.gz YPKMLVITFCMEDL-QZTJIDSGSA-N 2 1 290.451 2.254 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000346213947 368594339 /nfs/dbraw/zinc/59/43/39/368594339.db2.gz DPCWREJSNBZYDQ-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000346213947 368594341 /nfs/dbraw/zinc/59/43/41/368594341.db2.gz DPCWREJSNBZYDQ-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000346213947 368594346 /nfs/dbraw/zinc/59/43/46/368594346.db2.gz DPCWREJSNBZYDQ-XHSDSOJGSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000346213944 368594456 /nfs/dbraw/zinc/59/44/56/368594456.db2.gz DPCWREJSNBZYDQ-OAGGEKHMSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H](C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+](C)C ZINC000182910812 368598516 /nfs/dbraw/zinc/59/85/16/368598516.db2.gz NYYJQFJBGGWNQY-FMKPAKJESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)CC(F)(F)F)CC1 ZINC000346243049 368604082 /nfs/dbraw/zinc/60/40/82/368604082.db2.gz KSCDEGGOMUSJFR-GFCCVEGCSA-N 2 1 282.350 2.104 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000346298531 368625626 /nfs/dbraw/zinc/62/56/26/368625626.db2.gz WNVIHPNFMJPAHH-CABCVRRESA-N 2 1 295.471 2.227 20 0 CEADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC ZINC000183877553 368655811 /nfs/dbraw/zinc/65/58/11/368655811.db2.gz HQNOEVIAOHNGKH-OLZOCXBDSA-N 2 1 270.417 2.038 20 0 CEADMP C[C@H]1C[C@H](NCC2(C[NH+](C)C)CCCC2)CC[N@H+]1C ZINC000183950963 368659444 /nfs/dbraw/zinc/65/94/44/368659444.db2.gz KENVBNQIRPPMEA-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CC[N@@H+]1C ZINC000183950963 368659450 /nfs/dbraw/zinc/65/94/50/368659450.db2.gz KENVBNQIRPPMEA-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CC[N@H+]1C ZINC000183950963 368659454 /nfs/dbraw/zinc/65/94/54/368659454.db2.gz KENVBNQIRPPMEA-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000358090975 370900965 /nfs/dbraw/zinc/90/09/65/370900965.db2.gz WXWSHNUGLUQUDC-JHJVBQTASA-N 2 1 270.417 2.037 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000358090975 370900970 /nfs/dbraw/zinc/90/09/70/370900970.db2.gz WXWSHNUGLUQUDC-JHJVBQTASA-N 2 1 270.417 2.037 20 0 CEADMP Cc1[nH+]ccn1CCN(CC(=O)OC(C)(C)C)C(C)C ZINC000346464974 368685577 /nfs/dbraw/zinc/68/55/77/368685577.db2.gz VCRAVUZTYNNREO-UHFFFAOYSA-N 2 1 281.400 2.244 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000358158648 370928326 /nfs/dbraw/zinc/92/83/26/370928326.db2.gz BBIFMDVROLIFSS-XUJLQICISA-N 2 1 268.445 2.248 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000358158648 370928331 /nfs/dbraw/zinc/92/83/31/370928331.db2.gz BBIFMDVROLIFSS-XUJLQICISA-N 2 1 268.445 2.248 20 0 CEADMP Cc1cnc([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)o1 ZINC000330627471 203055467 /nfs/dbraw/zinc/05/54/67/203055467.db2.gz KENRPFSCSVJWSC-GXTWGEPZSA-N 2 1 295.427 2.069 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC000246242746 370935089 /nfs/dbraw/zinc/93/50/89/370935089.db2.gz RUNGKMODXCOCNJ-MSOLQXFVSA-N 2 1 290.451 2.254 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000246242746 370935093 /nfs/dbraw/zinc/93/50/93/370935093.db2.gz RUNGKMODXCOCNJ-MSOLQXFVSA-N 2 1 290.451 2.254 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000246242746 370935095 /nfs/dbraw/zinc/93/50/95/370935095.db2.gz RUNGKMODXCOCNJ-MSOLQXFVSA-N 2 1 290.451 2.254 20 0 CEADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1OC ZINC000346693331 368775772 /nfs/dbraw/zinc/77/57/72/368775772.db2.gz MKMSVZQEHHYHDU-JSGCOSHPSA-N 2 1 278.396 2.263 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000572720859 299392871 /nfs/dbraw/zinc/39/28/71/299392871.db2.gz DPXGVJAEUMXNDD-AWEZNQCLSA-N 2 1 282.391 2.314 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000572720859 299392874 /nfs/dbraw/zinc/39/28/74/299392874.db2.gz DPXGVJAEUMXNDD-AWEZNQCLSA-N 2 1 282.391 2.314 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246279854 370940738 /nfs/dbraw/zinc/94/07/38/370940738.db2.gz BKHWJXXYFLDFKN-CJNGLKHVSA-N 2 1 292.471 2.365 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000246279854 370940743 /nfs/dbraw/zinc/94/07/43/370940743.db2.gz BKHWJXXYFLDFKN-CJNGLKHVSA-N 2 1 292.471 2.365 20 0 CEADMP COCCCOc1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000346680568 368766338 /nfs/dbraw/zinc/76/63/38/368766338.db2.gz BROOXUIUQWHVCD-UHFFFAOYSA-N 2 1 278.396 2.025 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1-c1cccs1 ZINC000346682118 368767203 /nfs/dbraw/zinc/76/72/03/368767203.db2.gz PENMSPAIYGNFBE-NEPJUHHUSA-N 2 1 290.436 2.318 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346640150 368747055 /nfs/dbraw/zinc/74/70/55/368747055.db2.gz AHWRSHYSLUZECE-ZFWWWQNUSA-N 2 1 284.407 2.350 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000346655455 368753961 /nfs/dbraw/zinc/75/39/61/368753961.db2.gz RVCOPFMLGWSZHQ-UKRRQHHQSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)O1 ZINC000634687994 368815272 /nfs/dbraw/zinc/81/52/72/368815272.db2.gz FCXPFRLKDMBKEC-KLHDSHLOSA-N 2 1 266.429 2.266 20 0 CEADMP CC1(C)C[C@H]1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634704688 368830968 /nfs/dbraw/zinc/83/09/68/368830968.db2.gz OBBKPKNTVMCTJI-WMZOPIPTSA-N 2 1 288.435 2.259 20 0 CEADMP CC1(C)C[C@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704688 368830973 /nfs/dbraw/zinc/83/09/73/368830973.db2.gz OBBKPKNTVMCTJI-WMZOPIPTSA-N 2 1 288.435 2.259 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347955253 368839960 /nfs/dbraw/zinc/83/99/60/368839960.db2.gz LWUUMNIFMDGRNC-OFQRWUPVSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+]CCn1ccnc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185672619 368839991 /nfs/dbraw/zinc/83/99/91/368839991.db2.gz ZYJGTTYPVDXBTL-LSDHHAIUSA-N 2 1 276.428 2.126 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346838473 368790467 /nfs/dbraw/zinc/79/04/67/368790467.db2.gz XNEGYGPRMOCMQI-FPMFFAJLSA-N 2 1 276.428 2.266 20 0 CEADMP C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000346989796 368795737 /nfs/dbraw/zinc/79/57/37/368795737.db2.gz SBIINYLQITVCFG-GUYCJALGSA-N 2 1 274.408 2.310 20 0 CEADMP C[C@H]1C[N@H+](Cc2cccc3c2OCCCO3)CC[C@@H]1[NH3+] ZINC000347060433 368797802 /nfs/dbraw/zinc/79/78/02/368797802.db2.gz YBNYASGJYSYTIU-JSGCOSHPSA-N 2 1 276.380 2.017 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3c2OCCCO3)CC[C@@H]1[NH3+] ZINC000347060433 368797808 /nfs/dbraw/zinc/79/78/08/368797808.db2.gz YBNYASGJYSYTIU-JSGCOSHPSA-N 2 1 276.380 2.017 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000347134830 368800105 /nfs/dbraw/zinc/80/01/05/368800105.db2.gz SLHAFYXWMYMJEJ-CYBMUJFWSA-N 2 1 276.380 2.019 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000347134830 368800108 /nfs/dbraw/zinc/80/01/08/368800108.db2.gz SLHAFYXWMYMJEJ-CYBMUJFWSA-N 2 1 276.380 2.019 20 0 CEADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCCCn1ccnc1C ZINC000348036969 368867180 /nfs/dbraw/zinc/86/71/80/368867180.db2.gz AZCPMCNPQZPQJH-UKRRQHHQSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCCCn1cc[nH+]c1C ZINC000348036969 368867191 /nfs/dbraw/zinc/86/71/91/368867191.db2.gz AZCPMCNPQZPQJH-UKRRQHHQSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@H]3CC[C@H]([NH3+])CC3)c2c1C ZINC000634813518 368903223 /nfs/dbraw/zinc/90/32/23/368903223.db2.gz NQUOVYUSKQHTOF-XYPYZODXSA-N 2 1 259.357 2.257 20 0 CEADMP CCn1cc(CC[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cn1 ZINC000348258253 368973579 /nfs/dbraw/zinc/97/35/79/368973579.db2.gz WDGRBRQKYJSBKG-HOCLYGCPSA-N 2 1 278.444 2.250 20 0 CEADMP CCn1cc(CC[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cn1 ZINC000348258253 368973583 /nfs/dbraw/zinc/97/35/83/368973583.db2.gz WDGRBRQKYJSBKG-HOCLYGCPSA-N 2 1 278.444 2.250 20 0 CEADMP CCn1cc(CC[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cn1 ZINC000348258253 368973586 /nfs/dbraw/zinc/97/35/86/368973586.db2.gz WDGRBRQKYJSBKG-HOCLYGCPSA-N 2 1 278.444 2.250 20 0 CEADMP CC[N@@H+]1C[C@H](N[C@H](C[NH+](C)C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000348315825 368999168 /nfs/dbraw/zinc/99/91/68/368999168.db2.gz IGAPKMMAGDSQSC-RRQGHBQHSA-N 2 1 293.430 2.358 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC1CC1 ZINC000348320048 369000322 /nfs/dbraw/zinc/00/03/22/369000322.db2.gz QGWMMHOXVPIKIJ-HOTGVXAUSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634984061 369013897 /nfs/dbraw/zinc/01/38/97/369013897.db2.gz GKCLSRAHPQFIDC-CQSZACIVSA-N 2 1 284.407 2.451 20 0 CEADMP C[C@H](C[NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)cc1F ZINC000634996203 369025177 /nfs/dbraw/zinc/02/51/77/369025177.db2.gz COPMBBUFSDHBJR-RWWNRMGGSA-N 2 1 266.335 2.410 20 0 CEADMP C[NH+](C)Cc1cnc(CN2CCC[C@@H]([NH+](C)C)CC2)s1 ZINC000348422250 369041292 /nfs/dbraw/zinc/04/12/92/369041292.db2.gz NVSAUHCWAOFKRZ-CYBMUJFWSA-N 2 1 296.484 2.121 20 0 CEADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005424 369041584 /nfs/dbraw/zinc/04/15/84/369041584.db2.gz NKVNDQVCOQPCEU-QSPRXWTASA-N 2 1 275.440 2.052 20 0 CEADMP c1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c2c(c1)C[NH2+]CC2 ZINC000635005684 369041742 /nfs/dbraw/zinc/04/17/42/369041742.db2.gz WGHISTLGTSALMN-GUDVDZBRSA-N 2 1 299.462 2.343 20 0 CEADMP COC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000186510136 368986324 /nfs/dbraw/zinc/98/63/24/368986324.db2.gz JZJGGFXIIXXOKD-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CCC(C)(C)C ZINC000348513401 369066203 /nfs/dbraw/zinc/06/62/03/369066203.db2.gz JUZKJKOTHGKENM-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CCC(C)(C)C ZINC000348513401 369066206 /nfs/dbraw/zinc/06/62/06/369066206.db2.gz JUZKJKOTHGKENM-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC000635135720 369087241 /nfs/dbraw/zinc/08/72/41/369087241.db2.gz DEYTZKOWXQTAHR-GJZGRUSLSA-N 2 1 292.427 2.071 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348458598 369051175 /nfs/dbraw/zinc/05/11/75/369051175.db2.gz QVKJUIPAYRMHLP-NWDGAFQWSA-N 2 1 273.327 2.332 20 0 CEADMP C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)[C@H]1CCCC[NH2+]1 ZINC000635013015 369051832 /nfs/dbraw/zinc/05/18/32/369051832.db2.gz PWZLRKWYWJEQNX-WDEREUQCSA-N 2 1 290.333 2.022 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](CO)C2)[C@@H]2CCC[C@H]21 ZINC000348693654 369123566 /nfs/dbraw/zinc/12/35/66/369123566.db2.gz HDTZVIUACFWVTO-JSRQGNBESA-N 2 1 280.456 2.248 20 0 CEADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635383599 369153153 /nfs/dbraw/zinc/15/31/53/369153153.db2.gz WZPDVNCBOHXPGF-INIZCTEOSA-N 2 1 297.487 2.155 20 0 CEADMP Cc1nccn1CCC[N@H+]1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000348757916 369144628 /nfs/dbraw/zinc/14/46/28/369144628.db2.gz ZDXLMRNOKXAKKH-ZWKOTPCHSA-N 2 1 298.434 2.256 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000348757916 369144635 /nfs/dbraw/zinc/14/46/35/369144635.db2.gz ZDXLMRNOKXAKKH-ZWKOTPCHSA-N 3 1 298.434 2.256 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000348757916 369144639 /nfs/dbraw/zinc/14/46/39/369144639.db2.gz ZDXLMRNOKXAKKH-ZWKOTPCHSA-N 3 1 298.434 2.256 20 0 CEADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000348788342 369159320 /nfs/dbraw/zinc/15/93/20/369159320.db2.gz ZNEPKNTYCKUYTA-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000348788342 369159325 /nfs/dbraw/zinc/15/93/25/369159325.db2.gz ZNEPKNTYCKUYTA-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635471629 369185018 /nfs/dbraw/zinc/18/50/18/369185018.db2.gz JYPMCSIGWHKJEF-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635471629 369185022 /nfs/dbraw/zinc/18/50/22/369185022.db2.gz JYPMCSIGWHKJEF-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635471629 369185026 /nfs/dbraw/zinc/18/50/26/369185026.db2.gz JYPMCSIGWHKJEF-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](CO)CC1CCCC1 ZINC000343589165 216834908 /nfs/dbraw/zinc/83/49/08/216834908.db2.gz FSYTXXHQJBVQIE-FVQBIDKESA-N 2 1 268.445 2.105 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000188012966 369276303 /nfs/dbraw/zinc/27/63/03/369276303.db2.gz YCWJJIZLBGYDCS-CQSZACIVSA-N 2 1 294.414 2.457 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1coc(C[NH3+])c1 ZINC000188079343 369291689 /nfs/dbraw/zinc/29/16/89/369291689.db2.gz FVFQADMXRPDJHP-ZDUSSCGKSA-N 2 1 293.411 2.123 20 0 CEADMP CCN(CCC[NH+](C)C)Cc1cc(OC)cc(C)[nH+]1 ZINC000349364138 369310541 /nfs/dbraw/zinc/31/05/41/369310541.db2.gz FWECEUSARKJLAH-UHFFFAOYSA-N 2 1 265.401 2.172 20 0 CEADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635922011 369405780 /nfs/dbraw/zinc/40/57/80/369405780.db2.gz OFTIXLSYDPXUEZ-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H]1CC[C@@](CO)([N@@H+](C)CCC[NH+]2CCCCC2)C1 ZINC000189246547 369482874 /nfs/dbraw/zinc/48/28/74/369482874.db2.gz MUIOGEAQANUDKG-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358250668 370973502 /nfs/dbraw/zinc/97/35/02/370973502.db2.gz LBHRFLHVBBMDRK-HZPDHXFCSA-N 2 1 286.423 2.113 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ncccc2Cl)[C@@H](C)C1 ZINC000246486041 370968982 /nfs/dbraw/zinc/96/89/82/370968982.db2.gz RPYWKHTWSWDREB-JSGCOSHPSA-N 2 1 297.830 2.434 20 0 CEADMP CC[C@H](C)[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000639105681 370983377 /nfs/dbraw/zinc/98/33/77/370983377.db2.gz USLIHQYNOSVFCZ-RRFJBIMHSA-N 2 1 256.434 2.464 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)C2CC2)CC1 ZINC000191404590 369710103 /nfs/dbraw/zinc/71/01/03/369710103.db2.gz IJXCVCMOEXXLGE-OAHLLOKOSA-N 2 1 267.461 2.133 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCn1cccn1 ZINC000191478692 369716726 /nfs/dbraw/zinc/71/67/26/369716726.db2.gz NFMLFEZRZMOMMU-UHFFFAOYSA-N 2 1 275.400 2.054 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCn1cccn1 ZINC000191478692 369716728 /nfs/dbraw/zinc/71/67/28/369716728.db2.gz NFMLFEZRZMOMMU-UHFFFAOYSA-N 2 1 275.400 2.054 20 0 CEADMP Cc1ccccc1C[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352342878 369680764 /nfs/dbraw/zinc/68/07/64/369680764.db2.gz ZROGSYULWSJTJC-MAUKXSAKSA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccccc1C[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352342878 369680766 /nfs/dbraw/zinc/68/07/66/369680766.db2.gz ZROGSYULWSJTJC-MAUKXSAKSA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccccc1C[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352342878 369680770 /nfs/dbraw/zinc/68/07/70/369680770.db2.gz ZROGSYULWSJTJC-MAUKXSAKSA-N 2 1 290.451 2.313 20 0 CEADMP Cc1ccccc1C[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352342878 369680776 /nfs/dbraw/zinc/68/07/76/369680776.db2.gz ZROGSYULWSJTJC-MAUKXSAKSA-N 2 1 290.451 2.313 20 0 CEADMP CC(C)(C)n1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000352526678 369773331 /nfs/dbraw/zinc/77/33/31/369773331.db2.gz QOABBHYUWJYANJ-AWEZNQCLSA-N 2 1 264.417 2.341 20 0 CEADMP CC(C)(C)n1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000352526678 369773336 /nfs/dbraw/zinc/77/33/36/369773336.db2.gz QOABBHYUWJYANJ-AWEZNQCLSA-N 2 1 264.417 2.341 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352607971 369804947 /nfs/dbraw/zinc/80/49/47/369804947.db2.gz CEYZFZAKQYAILP-BRWVUGGUSA-N 2 1 298.471 2.234 20 0 CEADMP COC(=O)C1CCC([NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000192440123 369812503 /nfs/dbraw/zinc/81/25/03/369812503.db2.gz MZNJSMXQGGZVKG-QRNKSROTSA-N 2 1 296.455 2.428 20 0 CEADMP COC(=O)C1CCC([NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000192440123 369812508 /nfs/dbraw/zinc/81/25/08/369812508.db2.gz MZNJSMXQGGZVKG-QRNKSROTSA-N 2 1 296.455 2.428 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(CO)cc2)C[C@H]1C ZINC000352540280 369778747 /nfs/dbraw/zinc/77/87/47/369778747.db2.gz JDDXXAYWTLFJJC-RHSMWYFYSA-N 2 1 276.424 2.484 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(CO)cc2)C[C@H]1C ZINC000352540280 369778748 /nfs/dbraw/zinc/77/87/48/369778748.db2.gz JDDXXAYWTLFJJC-RHSMWYFYSA-N 2 1 276.424 2.484 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(CO)cc2)C[C@H]1C ZINC000352540280 369778750 /nfs/dbraw/zinc/77/87/50/369778750.db2.gz JDDXXAYWTLFJJC-RHSMWYFYSA-N 2 1 276.424 2.484 20 0 CEADMP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H]1CCCOC1 ZINC000352738897 369862020 /nfs/dbraw/zinc/86/20/20/369862020.db2.gz VFYIQHHLVLMXCW-NWDGAFQWSA-N 2 1 283.441 2.109 20 0 CEADMP OCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000193278687 369915806 /nfs/dbraw/zinc/91/58/06/369915806.db2.gz HTENPJQTKAYUIV-UHFFFAOYSA-N 2 1 276.424 2.056 20 0 CEADMP C[C@@H]([NH3+])CCC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000193291632 369919674 /nfs/dbraw/zinc/91/96/74/369919674.db2.gz XBEOLPBLPJENMQ-BXUZGUMPSA-N 2 1 297.830 2.186 20 0 CEADMP C[C@H]([NH3+])CCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000193302487 369921116 /nfs/dbraw/zinc/92/11/16/369921116.db2.gz ZOLCTLOYJSTCHR-HNNXBMFYSA-N 2 1 295.471 2.228 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353138275 370035228 /nfs/dbraw/zinc/03/52/28/370035228.db2.gz YZBAPRNRRYCMFV-IUODEOHRSA-N 2 1 263.385 2.052 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCO1 ZINC000353152438 370041665 /nfs/dbraw/zinc/04/16/65/370041665.db2.gz WPIDPYZBQZQXKT-WDFJATGCSA-N 2 1 266.429 2.359 20 0 CEADMP C[C@H]1C[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000353152438 370041672 /nfs/dbraw/zinc/04/16/72/370041672.db2.gz WPIDPYZBQZQXKT-WDFJATGCSA-N 2 1 266.429 2.359 20 0 CEADMP C[C@H]1C[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000353152438 370041676 /nfs/dbraw/zinc/04/16/76/370041676.db2.gz WPIDPYZBQZQXKT-WDFJATGCSA-N 2 1 266.429 2.359 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1c[nH]c2ncccc12 ZINC000353167014 370050801 /nfs/dbraw/zinc/05/08/01/370050801.db2.gz KTETUKNGCQEVOT-UHFFFAOYSA-N 2 1 295.390 2.356 20 0 CEADMP C[C@H]([NH3+])c1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC000637859332 370126989 /nfs/dbraw/zinc/12/69/89/370126989.db2.gz FCECSYQFSUFHMF-ZDUSSCGKSA-N 2 1 291.439 2.300 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C)cn2)C1 ZINC000354082333 370209687 /nfs/dbraw/zinc/20/96/87/370209687.db2.gz KUBQKFUJXLWHPF-QGZVFWFLSA-N 2 1 291.439 2.323 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)C1 ZINC000354145574 370233450 /nfs/dbraw/zinc/23/34/50/370233450.db2.gz DOTIYWNOPTTZPJ-LVQVYYBASA-N 2 1 296.455 2.286 20 0 CEADMP O=c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c[nH]1 ZINC000638122681 370318479 /nfs/dbraw/zinc/31/84/79/370318479.db2.gz NYZFZZWMCTXBAA-OAHLLOKOSA-N 2 1 275.396 2.095 20 0 CEADMP O=c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c[nH]1 ZINC000638122681 370318484 /nfs/dbraw/zinc/31/84/84/370318484.db2.gz NYZFZZWMCTXBAA-OAHLLOKOSA-N 2 1 275.396 2.095 20 0 CEADMP CC[C@H](C)[C@H](C[N@@H+](C)CC1CC[NH+](C)CC1)OC ZINC000638030195 370255272 /nfs/dbraw/zinc/25/52/72/370255272.db2.gz ZXZBVMNQKFRSTK-ZFWWWQNUSA-N 2 1 256.434 2.321 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC[C@H]2CCO2)C1 ZINC000638128665 370323956 /nfs/dbraw/zinc/32/39/56/370323956.db2.gz WHQMJRQTDXCDIQ-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)C1 ZINC000354213136 370261960 /nfs/dbraw/zinc/26/19/60/370261960.db2.gz VLHWFMISPWBGRK-XUWVNRHRSA-N 2 1 296.455 2.286 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)C1 ZINC000354213135 370262230 /nfs/dbraw/zinc/26/22/30/370262230.db2.gz VLHWFMISPWBGRK-LVQVYYBASA-N 2 1 296.455 2.286 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccnc2)C[C@H]1C ZINC000354222981 370267398 /nfs/dbraw/zinc/26/73/98/370267398.db2.gz KKTCERYDSAHYSQ-GDBMZVCRSA-N 2 1 261.413 2.429 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3nccnc3c2)C1 ZINC000638076091 370282961 /nfs/dbraw/zinc/28/29/61/370282961.db2.gz ISRXZLKMJZLXON-CQSZACIVSA-N 2 1 270.380 2.013 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC000638076091 370282963 /nfs/dbraw/zinc/28/29/63/370282963.db2.gz ISRXZLKMJZLXON-CQSZACIVSA-N 2 1 270.380 2.013 20 0 CEADMP COc1cccc(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000638077203 370284962 /nfs/dbraw/zinc/28/49/62/370284962.db2.gz QPPBLRKLHCEGCA-AWEZNQCLSA-N 2 1 262.397 2.387 20 0 CEADMP COc1cccc(C)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000638077203 370284964 /nfs/dbraw/zinc/28/49/64/370284964.db2.gz QPPBLRKLHCEGCA-AWEZNQCLSA-N 2 1 262.397 2.387 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC[C@H]2CCO2)C1 ZINC000638128665 370323960 /nfs/dbraw/zinc/32/39/60/370323960.db2.gz WHQMJRQTDXCDIQ-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC[C@H]2CCO2)C1 ZINC000638128665 370323964 /nfs/dbraw/zinc/32/39/64/370323964.db2.gz WHQMJRQTDXCDIQ-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(=O)[nH]c2)C[C@H]1C ZINC000638110714 370306786 /nfs/dbraw/zinc/30/67/86/370306786.db2.gz OWZNSWGYMTWSBE-TZMCWYRMSA-N 2 1 263.385 2.092 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(=O)[nH]c2)C[C@H]1C ZINC000638110714 370306788 /nfs/dbraw/zinc/30/67/88/370306788.db2.gz OWZNSWGYMTWSBE-TZMCWYRMSA-N 2 1 263.385 2.092 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(=O)[nH]c2)C[C@H]1C ZINC000638110714 370306790 /nfs/dbraw/zinc/30/67/90/370306790.db2.gz OWZNSWGYMTWSBE-TZMCWYRMSA-N 2 1 263.385 2.092 20 0 CEADMP CO[C@@H](C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)C1CCOCC1 ZINC000638117884 370314987 /nfs/dbraw/zinc/31/49/87/370314987.db2.gz PKRXSEWZCBADAD-SJORKVTESA-N 2 1 298.471 2.234 20 0 CEADMP CO[C@@H](C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)C1CCOCC1 ZINC000638117884 370314992 /nfs/dbraw/zinc/31/49/92/370314992.db2.gz PKRXSEWZCBADAD-SJORKVTESA-N 2 1 298.471 2.234 20 0 CEADMP CO[C@@H](C[NH+](C)CC[C@H]1CCCC[N@H+]1C)C1CCOCC1 ZINC000638117884 370314998 /nfs/dbraw/zinc/31/49/98/370314998.db2.gz PKRXSEWZCBADAD-SJORKVTESA-N 2 1 298.471 2.234 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000354431314 370359344 /nfs/dbraw/zinc/35/93/44/370359344.db2.gz YGKLMFNXCFOKDG-MAUKXSAKSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000354431314 370359351 /nfs/dbraw/zinc/35/93/51/370359351.db2.gz YGKLMFNXCFOKDG-MAUKXSAKSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H](O)CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000228034753 370392824 /nfs/dbraw/zinc/39/28/24/370392824.db2.gz AARPIYRGZLZMSH-MRXNPFEDSA-N 2 1 290.451 2.444 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000354349452 370327684 /nfs/dbraw/zinc/32/76/84/370327684.db2.gz SNKCQUBUGZTMSG-BYNSBNAKSA-N 2 1 284.444 2.284 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC[C@H]2CCO2)C1 ZINC000638133843 370328208 /nfs/dbraw/zinc/32/82/08/370328208.db2.gz KWABGEBGJMAHCX-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC[C@H]2CCO2)C1 ZINC000638133843 370328212 /nfs/dbraw/zinc/32/82/12/370328212.db2.gz KWABGEBGJMAHCX-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC[C@H]2CCO2)C1 ZINC000638133843 370328215 /nfs/dbraw/zinc/32/82/15/370328215.db2.gz KWABGEBGJMAHCX-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc(OC)c1 ZINC000226436291 370342592 /nfs/dbraw/zinc/34/25/92/370342592.db2.gz XMRFOWIVVPOUDR-CYBMUJFWSA-N 2 1 278.396 2.135 20 0 CEADMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc(OC)c1 ZINC000226436291 370342596 /nfs/dbraw/zinc/34/25/96/370342596.db2.gz XMRFOWIVVPOUDR-CYBMUJFWSA-N 2 1 278.396 2.135 20 0 CEADMP CC(C)n1nccc1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000354514875 370394290 /nfs/dbraw/zinc/39/42/90/370394290.db2.gz SFQUPCYQPNPSFU-OLZOCXBDSA-N 2 1 250.390 2.036 20 0 CEADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000638280401 370418179 /nfs/dbraw/zinc/41/81/79/370418179.db2.gz FFSUZORRGIHQEK-HUUCEWRRSA-N 2 1 295.471 2.288 20 0 CEADMP CO[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000638359087 370468195 /nfs/dbraw/zinc/46/81/95/370468195.db2.gz MHRVKLXXGAQSIC-BBRMVZONSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H](C[NH2+]Cc1cccn(C(F)F)c1=O)C[NH+]1CCCC1 ZINC000638386267 370490725 /nfs/dbraw/zinc/49/07/25/370490725.db2.gz LZFWTOLXUCNAIO-LBPRGKRZSA-N 2 1 299.365 2.065 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C)ns2)C1 ZINC000638451100 370540649 /nfs/dbraw/zinc/54/06/49/370540649.db2.gz KUVZHQKAHMACQQ-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C)ns2)C1 ZINC000638451100 370540652 /nfs/dbraw/zinc/54/06/52/370540652.db2.gz KUVZHQKAHMACQQ-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP CC(C)(C)[NH+]1CCC(NCC[N@H+]2CC=CCC2)CC1 ZINC000355493381 370574798 /nfs/dbraw/zinc/57/47/98/370574798.db2.gz AYQQYZAZJJLJSD-UHFFFAOYSA-N 2 1 265.445 2.101 20 0 CEADMP CC(C)(C)[NH+]1CCC(NCC[N@@H+]2CC=CCC2)CC1 ZINC000355493381 370574802 /nfs/dbraw/zinc/57/48/02/370574802.db2.gz AYQQYZAZJJLJSD-UHFFFAOYSA-N 2 1 265.445 2.101 20 0 CEADMP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]CCC[C@H]1CCO1 ZINC000638578808 370617456 /nfs/dbraw/zinc/61/74/56/370617456.db2.gz JHFLVACVTVKTHU-KFWWJZLASA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CCC[C@@H]1CCO1 ZINC000638589045 370622280 /nfs/dbraw/zinc/62/22/80/370622280.db2.gz PUDCMFRFNPWAPL-HUUCEWRRSA-N 2 1 254.418 2.410 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CCC[C@@H]1CCO1 ZINC000638589045 370622282 /nfs/dbraw/zinc/62/22/82/370622282.db2.gz PUDCMFRFNPWAPL-HUUCEWRRSA-N 2 1 254.418 2.410 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000236773282 370624619 /nfs/dbraw/zinc/62/46/19/370624619.db2.gz ZXHPSWOADGFLEX-MRXNPFEDSA-N 2 1 291.439 2.272 20 0 CEADMP CC(C)C[C@H]([NH3+])C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000236681008 370607770 /nfs/dbraw/zinc/60/77/70/370607770.db2.gz WDXQHAZYSRDUQX-XHSDSOJGSA-N 2 1 297.487 2.234 20 0 CEADMP CC[C@@](C)(C[N@H+](C)CCCn1cc[nH+]c1C)OC ZINC000639175272 371049785 /nfs/dbraw/zinc/04/97/85/371049785.db2.gz KSODMMRJPARBEY-AWEZNQCLSA-N 2 1 253.390 2.329 20 0 CEADMP CC[C@@](C)(C[N@@H+](C)CCCn1cc[nH+]c1C)OC ZINC000639175272 371049787 /nfs/dbraw/zinc/04/97/87/371049787.db2.gz KSODMMRJPARBEY-AWEZNQCLSA-N 2 1 253.390 2.329 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000246922193 371031519 /nfs/dbraw/zinc/03/15/19/371031519.db2.gz GMOAVSIQSURAQF-MELADBBJSA-N 2 1 294.443 2.444 20 0 CEADMP CO[C@@H](C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)CC(C)C ZINC000639170797 371042457 /nfs/dbraw/zinc/04/24/57/371042457.db2.gz YSZMENGAHQNFKE-HUUCEWRRSA-N 2 1 256.434 2.367 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000639170790 371043098 /nfs/dbraw/zinc/04/30/98/371043098.db2.gz YRMYTJNLGZNNNQ-VGWMRTNUSA-N 2 1 278.440 2.264 20 0 CEADMP CCC[C@H](C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21)OC ZINC000639177287 371056231 /nfs/dbraw/zinc/05/62/31/371056231.db2.gz CFOXIKUQOXMMMK-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@H](C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)OC ZINC000639177287 371056236 /nfs/dbraw/zinc/05/62/36/371056236.db2.gz CFOXIKUQOXMMMK-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@H](C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)OC ZINC000639177287 371056242 /nfs/dbraw/zinc/05/62/42/371056242.db2.gz CFOXIKUQOXMMMK-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000247056732 371056261 /nfs/dbraw/zinc/05/62/61/371056261.db2.gz JWALARCQBUYMKY-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000247056732 371056268 /nfs/dbraw/zinc/05/62/68/371056268.db2.gz JWALARCQBUYMKY-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000247233947 371080732 /nfs/dbraw/zinc/08/07/32/371080732.db2.gz YLWUHOPHSSTVJV-IKGGRYGDSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000247233947 371080739 /nfs/dbraw/zinc/08/07/39/371080739.db2.gz YLWUHOPHSSTVJV-IKGGRYGDSA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000247233947 371080745 /nfs/dbraw/zinc/08/07/45/371080745.db2.gz YLWUHOPHSSTVJV-IKGGRYGDSA-N 3 1 281.488 2.428 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000358569346 371122310 /nfs/dbraw/zinc/12/23/10/371122310.db2.gz VZNBFMURQYXSAP-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@@H+](C)C1CC1 ZINC000358640397 371149566 /nfs/dbraw/zinc/14/95/66/371149566.db2.gz WSELDRHZFSOLQG-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP COc1cc(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccn1 ZINC000639257374 371155747 /nfs/dbraw/zinc/15/57/47/371155747.db2.gz MZISDMLQHOMRTG-GJZGRUSLSA-N 2 1 291.439 2.343 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H](O)C(F)F)CC2)C1 ZINC000358657186 371159125 /nfs/dbraw/zinc/15/91/25/371159125.db2.gz ZCRRWTKAMAOWJP-BNOWGMLFSA-N 2 1 290.398 2.245 20 0 CEADMP CC(C)C1(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000639288941 371191012 /nfs/dbraw/zinc/19/10/12/371191012.db2.gz UOESOXMRLARMEQ-UHFFFAOYSA-N 2 1 266.429 2.219 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)[C@]12CCCO2 ZINC000639290524 371192156 /nfs/dbraw/zinc/19/21/56/371192156.db2.gz UPSYUEINZFADRV-GVDBMIGSSA-N 2 1 298.471 2.281 20 0 CEADMP C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)O[C@@H]1CCCCO1 ZINC000248766920 371244233 /nfs/dbraw/zinc/24/42/33/371244233.db2.gz KZFNNQOCJFGEEJ-IAGOWNOFSA-N 2 1 296.455 2.480 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)O[C@@H]1CCCCO1 ZINC000248766920 371244238 /nfs/dbraw/zinc/24/42/38/371244238.db2.gz KZFNNQOCJFGEEJ-IAGOWNOFSA-N 2 1 296.455 2.480 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)[C@@H](C)C1 ZINC000248791773 371245844 /nfs/dbraw/zinc/24/58/44/371245844.db2.gz IVVQAFJQTZYUSR-DRPJVOAASA-N 2 1 266.429 2.264 20 0 CEADMP O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639335858 371246818 /nfs/dbraw/zinc/24/68/18/371246818.db2.gz YJUPAHYVZOCZOE-JOCBIADPSA-N 2 1 286.419 2.467 20 0 CEADMP O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639335858 371246826 /nfs/dbraw/zinc/24/68/26/371246826.db2.gz YJUPAHYVZOCZOE-JOCBIADPSA-N 2 1 286.419 2.467 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](C)OC)CC1 ZINC000639376145 371285706 /nfs/dbraw/zinc/28/57/06/371285706.db2.gz VZYIXJPQFOSKCQ-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000249055806 371287896 /nfs/dbraw/zinc/28/78/96/371287896.db2.gz YPIWXETYKNPINS-UYTSQGDYSA-N 2 1 265.445 2.076 20 0 CEADMP CC[NH+]1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249055806 371287901 /nfs/dbraw/zinc/28/79/01/371287901.db2.gz YPIWXETYKNPINS-UYTSQGDYSA-N 2 1 265.445 2.076 20 0 CEADMP CC[NH+]1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249055806 371287904 /nfs/dbraw/zinc/28/79/04/371287904.db2.gz YPIWXETYKNPINS-UYTSQGDYSA-N 2 1 265.445 2.076 20 0 CEADMP CCN1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249055806 371287908 /nfs/dbraw/zinc/28/79/08/371287908.db2.gz YPIWXETYKNPINS-UYTSQGDYSA-N 2 1 265.445 2.076 20 0 CEADMP CCN1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249055806 371287910 /nfs/dbraw/zinc/28/79/10/371287910.db2.gz YPIWXETYKNPINS-UYTSQGDYSA-N 2 1 265.445 2.076 20 0 CEADMP CO[C@H]1CC[N@H+](CCCC2CCCC2)[C@H](C[NH3+])C1 ZINC000359047337 371317942 /nfs/dbraw/zinc/31/79/42/371317942.db2.gz SZDLNISFJPYMJJ-GJZGRUSLSA-N 2 1 254.418 2.395 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCC2CCCC2)[C@H](C[NH3+])C1 ZINC000359047337 371317946 /nfs/dbraw/zinc/31/79/46/371317946.db2.gz SZDLNISFJPYMJJ-GJZGRUSLSA-N 2 1 254.418 2.395 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000639501163 371365381 /nfs/dbraw/zinc/36/53/81/371365381.db2.gz SYGDCYAZZOFSEO-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000639501163 371365388 /nfs/dbraw/zinc/36/53/88/371365388.db2.gz SYGDCYAZZOFSEO-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000639501163 371365392 /nfs/dbraw/zinc/36/53/92/371365392.db2.gz SYGDCYAZZOFSEO-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)O2 ZINC000250521855 371385752 /nfs/dbraw/zinc/38/57/52/371385752.db2.gz CNINRUDVHWUTNI-ILXRZTDVSA-N 2 1 288.391 2.043 20 0 CEADMP c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)O2 ZINC000250521855 371385756 /nfs/dbraw/zinc/38/57/56/371385756.db2.gz CNINRUDVHWUTNI-ILXRZTDVSA-N 2 1 288.391 2.043 20 0 CEADMP Cc1c([C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cnn1C ZINC000250893120 371394440 /nfs/dbraw/zinc/39/44/40/371394440.db2.gz QTPFEYDUCKMTFI-UBHSHLNASA-N 2 1 262.401 2.006 20 0 CEADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1C ZINC000250893120 371394442 /nfs/dbraw/zinc/39/44/42/371394442.db2.gz QTPFEYDUCKMTFI-UBHSHLNASA-N 2 1 262.401 2.006 20 0 CEADMP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cnn1C ZINC000250893120 371394446 /nfs/dbraw/zinc/39/44/46/371394446.db2.gz QTPFEYDUCKMTFI-UBHSHLNASA-N 2 1 262.401 2.006 20 0 CEADMP C(CN1CCCCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250942912 371394625 /nfs/dbraw/zinc/39/46/25/371394625.db2.gz ZTWSAFIXYBDPIY-GVDBMIGSSA-N 2 1 279.472 2.373 20 0 CEADMP CC(C)n1cncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251588344 371407057 /nfs/dbraw/zinc/40/70/57/371407057.db2.gz OBLHDIBIGIOQIY-KBPBESRZSA-N 2 1 262.401 2.180 20 0 CEADMP CC(C)n1cncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251588344 371407067 /nfs/dbraw/zinc/40/70/67/371407067.db2.gz OBLHDIBIGIOQIY-KBPBESRZSA-N 2 1 262.401 2.180 20 0 CEADMP Cn1c2ccccc2nc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359196777 371370718 /nfs/dbraw/zinc/37/07/18/371370718.db2.gz ACLNKLGHXKXRPP-UHFFFAOYSA-N 2 1 286.423 2.395 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252856360 371483642 /nfs/dbraw/zinc/48/36/42/371483642.db2.gz KTFNSVJDAUYTRN-KKUMJFAQSA-N 2 1 282.428 2.169 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1OC ZINC000252854987 371483763 /nfs/dbraw/zinc/48/37/63/371483763.db2.gz JYQBZALQLNYRGY-QEJZJMRPSA-N 2 1 290.407 2.263 20 0 CEADMP CCC[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000252390109 371436234 /nfs/dbraw/zinc/43/62/34/371436234.db2.gz MLEMMVFFPMSULZ-IIAWOOMASA-N 2 1 267.461 2.179 20 0 CEADMP COc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000252714295 371472192 /nfs/dbraw/zinc/47/21/92/371472192.db2.gz RPBPEODAFIEWAO-CZUORRHYSA-N 2 1 278.396 2.004 20 0 CEADMP COc1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252713503 371472222 /nfs/dbraw/zinc/47/22/22/371472222.db2.gz PJEJHZHYFVAYTM-ZIAGYGMSSA-N 2 1 278.396 2.004 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000252712307 371472447 /nfs/dbraw/zinc/47/24/47/371472447.db2.gz MBASNFKEGLIVIZ-QMTHXVAHSA-N 2 1 254.324 2.395 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000252712307 371472451 /nfs/dbraw/zinc/47/24/51/371472451.db2.gz MBASNFKEGLIVIZ-QMTHXVAHSA-N 2 1 254.324 2.395 20 0 CEADMP CC[C@H](C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[NH+](CC)CC ZINC000360082773 371504243 /nfs/dbraw/zinc/50/42/43/371504243.db2.gz NEDFZZPTLXISDA-OWCLPIDISA-N 2 1 297.487 2.343 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000360329373 371511918 /nfs/dbraw/zinc/51/19/18/371511918.db2.gz LXVRPESJJYDRIX-CAOSSQGBSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000360329373 371511924 /nfs/dbraw/zinc/51/19/24/371511924.db2.gz LXVRPESJJYDRIX-CAOSSQGBSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000360329373 371511930 /nfs/dbraw/zinc/51/19/30/371511930.db2.gz LXVRPESJJYDRIX-CAOSSQGBSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](N[C@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC000360329373 371511935 /nfs/dbraw/zinc/51/19/35/371511935.db2.gz LXVRPESJJYDRIX-CAOSSQGBSA-N 2 1 267.461 2.037 20 0 CEADMP Cc1cccc(CCC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639769597 371556919 /nfs/dbraw/zinc/55/69/19/371556919.db2.gz ZKIOCRISRYNSEL-GOSISDBHSA-N 2 1 290.451 2.316 20 0 CEADMP CC[N@@H+]1[C@H](C)CN(CC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000639741896 371529282 /nfs/dbraw/zinc/52/92/82/371529282.db2.gz HPUQMIYSUZWLDI-WNKDZCFJSA-N 2 1 281.488 2.379 20 0 CEADMP CC[NH+]1[C@H](C)CN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000639741896 371529286 /nfs/dbraw/zinc/52/92/86/371529286.db2.gz HPUQMIYSUZWLDI-WNKDZCFJSA-N 2 1 281.488 2.379 20 0 CEADMP CC[NH+]1[C@H](C)CN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000639741896 371529288 /nfs/dbraw/zinc/52/92/88/371529288.db2.gz HPUQMIYSUZWLDI-WNKDZCFJSA-N 2 1 281.488 2.379 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c(OC)c1 ZINC000360708035 371530915 /nfs/dbraw/zinc/53/09/15/371530915.db2.gz PWWMQZWUCYKHFM-CJNGLKHVSA-N 2 1 292.423 2.176 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000360854145 371537617 /nfs/dbraw/zinc/53/76/17/371537617.db2.gz BZERHTLUWCYAFM-BZUAXINKSA-N 2 1 267.461 2.037 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756259 371546546 /nfs/dbraw/zinc/54/65/46/371546546.db2.gz TUVZACLOZVVWJO-OAHLLOKOSA-N 2 1 268.445 2.465 20 0 CEADMP CCCCc1noc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639762065 371550935 /nfs/dbraw/zinc/55/09/35/371550935.db2.gz JTXQZMWICZERPO-UHFFFAOYSA-N 2 1 292.427 2.330 20 0 CEADMP CCCCc1noc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639762065 371550938 /nfs/dbraw/zinc/55/09/38/371550938.db2.gz JTXQZMWICZERPO-UHFFFAOYSA-N 2 1 292.427 2.330 20 0 CEADMP C[C@H](CCc1ccccc1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761374 371551042 /nfs/dbraw/zinc/55/10/42/371551042.db2.gz HGLNLEBPJCWDCG-SJLPKXTDSA-N 2 1 290.451 2.396 20 0 CEADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cn1 ZINC000360976844 371577469 /nfs/dbraw/zinc/57/74/69/371577469.db2.gz WRIUEJFFANIPOD-IXDOHACOSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cn1 ZINC000360976844 371577471 /nfs/dbraw/zinc/57/74/71/371577471.db2.gz WRIUEJFFANIPOD-IXDOHACOSA-N 2 1 289.423 2.074 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000258979243 371621792 /nfs/dbraw/zinc/62/17/92/371621792.db2.gz LWZOQIGJBRVSBF-NEPJUHHUSA-N 2 1 269.186 2.419 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000361076874 371636058 /nfs/dbraw/zinc/63/60/58/371636058.db2.gz VFEWRSHMQKUZFW-OAGGEKHMSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000361076874 371636061 /nfs/dbraw/zinc/63/60/61/371636061.db2.gz VFEWRSHMQKUZFW-OAGGEKHMSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000361076874 371636063 /nfs/dbraw/zinc/63/60/63/371636063.db2.gz VFEWRSHMQKUZFW-OAGGEKHMSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000361076874 371636069 /nfs/dbraw/zinc/63/60/69/371636069.db2.gz VFEWRSHMQKUZFW-OAGGEKHMSA-N 3 1 267.461 2.037 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000361076874 371636071 /nfs/dbraw/zinc/63/60/71/371636071.db2.gz VFEWRSHMQKUZFW-OAGGEKHMSA-N 3 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000361076874 371636073 /nfs/dbraw/zinc/63/60/73/371636073.db2.gz VFEWRSHMQKUZFW-OAGGEKHMSA-N 3 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000361076874 371636075 /nfs/dbraw/zinc/63/60/75/371636075.db2.gz VFEWRSHMQKUZFW-OAGGEKHMSA-N 3 1 267.461 2.037 20 0 CEADMP CSc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261560723 371648164 /nfs/dbraw/zinc/64/81/64/371648164.db2.gz FMDKLJMEVBEGTR-KBPBESRZSA-N 2 1 262.422 2.450 20 0 CEADMP CSc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261560723 371648170 /nfs/dbraw/zinc/64/81/70/371648170.db2.gz FMDKLJMEVBEGTR-KBPBESRZSA-N 2 1 262.422 2.450 20 0 CEADMP c1ccc(SCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261566980 371651882 /nfs/dbraw/zinc/65/18/82/371651882.db2.gz ILMMDRHTHCPLQB-HIFRSBDPSA-N 2 1 262.422 2.463 20 0 CEADMP c1ccc(SCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261566980 371651888 /nfs/dbraw/zinc/65/18/88/371651888.db2.gz ILMMDRHTHCPLQB-HIFRSBDPSA-N 2 1 262.422 2.463 20 0 CEADMP c1c2ccccc2oc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261581181 371661137 /nfs/dbraw/zinc/66/11/37/371661137.db2.gz FWXMTTAOGNBQQS-KBPBESRZSA-N 2 1 256.349 2.474 20 0 CEADMP c1c2ccccc2oc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261581181 371661142 /nfs/dbraw/zinc/66/11/42/371661142.db2.gz FWXMTTAOGNBQQS-KBPBESRZSA-N 2 1 256.349 2.474 20 0 CEADMP Cc1csc(NC2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261729373 371712148 /nfs/dbraw/zinc/71/21/48/371712148.db2.gz HBNMTHOVBTZDCK-HNNXBMFYSA-N 2 1 294.468 2.327 20 0 CEADMP CC(C)OCC[C@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984203 371712906 /nfs/dbraw/zinc/71/29/06/371712906.db2.gz SPFPOMIYKOJCTQ-INIZCTEOSA-N 2 1 298.471 2.113 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)NC(C)C)CC1 ZINC000639988343 371717991 /nfs/dbraw/zinc/71/79/91/371717991.db2.gz PRZHOBUCUVVDCT-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@@H+](Cc1ccno1)[C@H]1CCCN(Cc2ccno2)CC1 ZINC000361234101 371729763 /nfs/dbraw/zinc/72/97/63/371729763.db2.gz IFTZXARNESYURJ-ZDUSSCGKSA-N 2 1 290.367 2.149 20 0 CEADMP CN(Cc1ccno1)[C@H]1CCC[N@H+](Cc2ccno2)CC1 ZINC000361234101 371729770 /nfs/dbraw/zinc/72/97/70/371729770.db2.gz IFTZXARNESYURJ-ZDUSSCGKSA-N 2 1 290.367 2.149 20 0 CEADMP CN(Cc1ccno1)[C@H]1CCC[N@@H+](Cc2ccno2)CC1 ZINC000361234101 371729775 /nfs/dbraw/zinc/72/97/75/371729775.db2.gz IFTZXARNESYURJ-ZDUSSCGKSA-N 2 1 290.367 2.149 20 0 CEADMP c1cnc2c(c1)cccc2C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261785326 371732230 /nfs/dbraw/zinc/73/22/30/371732230.db2.gz PYGYQDAOCUMWNM-HOCLYGCPSA-N 2 1 267.376 2.419 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](CCn2nc(C)cc2C)CC1 ZINC000640015192 371735074 /nfs/dbraw/zinc/73/50/74/371735074.db2.gz GUZLHGLUUCQKAB-UHFFFAOYSA-N 2 1 278.444 2.306 20 0 CEADMP CC(C)CC[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000361263569 371747282 /nfs/dbraw/zinc/74/72/82/371747282.db2.gz XCUBCOHNAREILC-HUUCEWRRSA-N 2 1 256.434 2.057 20 0 CEADMP CC(C)CC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000361263569 371747283 /nfs/dbraw/zinc/74/72/83/371747283.db2.gz XCUBCOHNAREILC-HUUCEWRRSA-N 2 1 256.434 2.057 20 0 CEADMP CC(C)CC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000361263569 371747288 /nfs/dbraw/zinc/74/72/88/371747288.db2.gz XCUBCOHNAREILC-HUUCEWRRSA-N 2 1 256.434 2.057 20 0 CEADMP c1ccc2nc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000261836919 371747400 /nfs/dbraw/zinc/74/74/00/371747400.db2.gz VIGJTRXDCLXSCO-KRWDZBQOSA-N 2 1 267.376 2.420 20 0 CEADMP c1ccc2nc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000261836919 371747408 /nfs/dbraw/zinc/74/74/08/371747408.db2.gz VIGJTRXDCLXSCO-KRWDZBQOSA-N 2 1 267.376 2.420 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261915771 371768811 /nfs/dbraw/zinc/76/88/11/371768811.db2.gz JWWZMQJUMLRKHW-QGZVFWFLSA-N 2 1 299.422 2.055 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261915771 371768814 /nfs/dbraw/zinc/76/88/14/371768814.db2.gz JWWZMQJUMLRKHW-QGZVFWFLSA-N 2 1 299.422 2.055 20 0 CEADMP c1cnn(-c2cccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)c2)c1 ZINC000261927946 371774406 /nfs/dbraw/zinc/77/44/06/371774406.db2.gz CKUQXZPBWPEZRV-KRWDZBQOSA-N 2 1 282.391 2.058 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)C2(C(=O)OC)CCC2)C1 ZINC000353338038 220032866 /nfs/dbraw/zinc/03/28/66/220032866.db2.gz REPCHSCJVRJOLX-LSDHHAIUSA-N 2 1 296.455 2.430 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)COC(C)C ZINC000337324500 214009387 /nfs/dbraw/zinc/00/93/87/214009387.db2.gz BEQZNRLAZWBOPZ-QWHCGFSZSA-N 2 1 253.390 2.231 20 0 CEADMP FC(F)(F)C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000262013632 371799654 /nfs/dbraw/zinc/79/96/54/371799654.db2.gz VHWXALJHQUHBNP-LLVKDONJSA-N 2 1 250.308 2.260 20 0 CEADMP CN(CCC[N@@H+](C)CCc1ccccc1F)CC[NH+](C)C ZINC000344044917 217025807 /nfs/dbraw/zinc/02/58/07/217025807.db2.gz XUFFOZJCSLICSS-UHFFFAOYSA-N 2 1 295.446 2.184 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nccn3-c3ccccc3)C[C@@H]21 ZINC000262048725 371813618 /nfs/dbraw/zinc/81/36/18/371813618.db2.gz ZIOUPQVVIILREC-HYVNUMGLSA-N 2 1 296.418 2.432 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nccn3-c3ccccc3)C[C@@H]21 ZINC000262048725 371813628 /nfs/dbraw/zinc/81/36/28/371813628.db2.gz ZIOUPQVVIILREC-HYVNUMGLSA-N 2 1 296.418 2.432 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000361396767 371827328 /nfs/dbraw/zinc/82/73/28/371827328.db2.gz HYGVJAHHLHAZQE-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC1CCC1 ZINC000361482190 371869089 /nfs/dbraw/zinc/86/90/89/371869089.db2.gz VSQYWGIXKKLACI-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCCN1CCCC1=O ZINC000640532046 372021897 /nfs/dbraw/zinc/02/18/97/372021897.db2.gz UKEIZVGLEYMOTL-UHFFFAOYSA-N 2 1 295.471 2.197 20 0 CEADMP Cc1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)ncn1 ZINC000640534649 372024199 /nfs/dbraw/zinc/02/41/99/372024199.db2.gz RCJJQULCMKKSIN-UHFFFAOYSA-N 2 1 276.428 2.483 20 0 CEADMP CC[N@@H+]1[C@H](C)CN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C[C@@H]1C ZINC000640607786 372062107 /nfs/dbraw/zinc/06/21/07/372062107.db2.gz YPJYBDKHSWFJMF-HZSPNIEDSA-N 2 1 283.460 2.094 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000361929669 372134708 /nfs/dbraw/zinc/13/47/08/372134708.db2.gz ZEEOEZURISDLJZ-HUUCEWRRSA-N 2 1 268.445 2.249 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C(F)F ZINC000361967342 372150180 /nfs/dbraw/zinc/15/01/80/372150180.db2.gz SHBKPULLJOMIDT-SNPRPXQTSA-N 2 1 298.377 2.113 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C(F)F ZINC000361967342 372150185 /nfs/dbraw/zinc/15/01/85/372150185.db2.gz SHBKPULLJOMIDT-SNPRPXQTSA-N 2 1 298.377 2.113 20 0 CEADMP Cc1ccsc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000268800160 372228694 /nfs/dbraw/zinc/22/86/94/372228694.db2.gz AVYGBWKGSKREBT-QWHCGFSZSA-N 2 1 268.426 2.164 20 0 CEADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)cc1 ZINC000268815857 372238062 /nfs/dbraw/zinc/23/80/62/372238062.db2.gz FYNXGJSFYKESQN-ZDUSSCGKSA-N 2 1 280.387 2.323 20 0 CEADMP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000268828848 372245021 /nfs/dbraw/zinc/24/50/21/372245021.db2.gz ZXXXNTYEGJMWBD-RYUDHWBXSA-N 2 1 274.368 2.089 20 0 CEADMP C[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268869739 372264024 /nfs/dbraw/zinc/26/40/24/372264024.db2.gz UWOSPGWLHYORFE-FMKPAKJESA-N 2 1 262.397 2.010 20 0 CEADMP C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268869739 372264028 /nfs/dbraw/zinc/26/40/28/372264028.db2.gz UWOSPGWLHYORFE-FMKPAKJESA-N 2 1 262.397 2.010 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000268884056 372271746 /nfs/dbraw/zinc/27/17/46/372271746.db2.gz MIDJCWGRVWASSI-MUIFIZLQSA-N 2 1 276.424 2.212 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000362302089 372304291 /nfs/dbraw/zinc/30/42/91/372304291.db2.gz WLNAEAISERWZFF-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CO[C@H](C)[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000269107719 372344466 /nfs/dbraw/zinc/34/44/66/372344466.db2.gz VGTMIGOTJFMPIO-CHWSQXEVSA-N 2 1 292.427 2.075 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCC[NH2+]C)cc1 ZINC000269191074 372371307 /nfs/dbraw/zinc/37/13/07/372371307.db2.gz QWASOORHSFGADE-UHFFFAOYSA-N 2 1 291.439 2.258 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(Cl)o1 ZINC000344366353 217170029 /nfs/dbraw/zinc/17/00/29/217170029.db2.gz JCTOSYRTGSLZFU-LBPRGKRZSA-N 2 1 286.803 2.260 20 0 CEADMP CSCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363577597 372642097 /nfs/dbraw/zinc/64/20/97/372642097.db2.gz PWDKUDAJHPMSPN-RDBSUJKOSA-N 2 1 254.443 2.156 20 0 CEADMP CSCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363577597 372642101 /nfs/dbraw/zinc/64/21/01/372642101.db2.gz PWDKUDAJHPMSPN-RDBSUJKOSA-N 2 1 254.443 2.156 20 0 CEADMP CSCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363577597 372642107 /nfs/dbraw/zinc/64/21/07/372642107.db2.gz PWDKUDAJHPMSPN-RDBSUJKOSA-N 2 1 254.443 2.156 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC000641709837 372646131 /nfs/dbraw/zinc/64/61/31/372646131.db2.gz IYRVIUMLGIPWGT-CABCVRRESA-N 2 1 268.445 2.392 20 0 CEADMP CSc1ccc(C[NH2+]CCn2cc[nH+]c2C)o1 ZINC000641712683 372648545 /nfs/dbraw/zinc/64/85/45/372648545.db2.gz OCEPAPITBZZJDQ-UHFFFAOYSA-N 2 1 251.355 2.296 20 0 CEADMP C[N@H+]1CCC[C@H]1[C@H]1CCCN1CCC[NH+]1CCCC1 ZINC000364060629 372656293 /nfs/dbraw/zinc/65/62/93/372656293.db2.gz WREIHRDVLVEOOP-JKSUJKDBSA-N 2 1 265.445 2.031 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641740754 372675132 /nfs/dbraw/zinc/67/51/32/372675132.db2.gz CFNAUMDNQMYURH-CQSZACIVSA-N 2 1 276.428 2.121 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641740754 372675136 /nfs/dbraw/zinc/67/51/36/372675136.db2.gz CFNAUMDNQMYURH-CQSZACIVSA-N 2 1 276.428 2.121 20 0 CEADMP CC[C@@H](Cn1cncn1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000353391538 220062110 /nfs/dbraw/zinc/06/21/10/220062110.db2.gz XNDNIUJYIOMREG-CVEARBPZSA-N 2 1 293.459 2.301 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cn3ccsc3n2)[C@@H]2CCC[C@H]21 ZINC000353394252 220060764 /nfs/dbraw/zinc/06/07/64/220060764.db2.gz MDWCHRNIARJRQA-MELADBBJSA-N 2 1 290.436 2.358 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn3ccsc3n2)[C@@H]2CCC[C@H]21 ZINC000353394252 220060770 /nfs/dbraw/zinc/06/07/70/220060770.db2.gz MDWCHRNIARJRQA-MELADBBJSA-N 2 1 290.436 2.358 20 0 CEADMP Cc1sc(NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c(C)c1C ZINC000641801917 372743280 /nfs/dbraw/zinc/74/32/80/372743280.db2.gz GWNAMIOQJNMSKZ-NEPJUHHUSA-N 2 1 295.452 2.327 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641801454 372743864 /nfs/dbraw/zinc/74/38/64/372743864.db2.gz CFSXWLRGYHQXFM-NWANDNLSSA-N 2 1 289.423 2.346 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000641802026 372745185 /nfs/dbraw/zinc/74/51/85/372745185.db2.gz GXKUKKMINKHVCG-MNOVXSKESA-N 2 1 284.201 2.060 20 0 CEADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000641801976 372746628 /nfs/dbraw/zinc/74/66/28/372746628.db2.gz WYALRPNSSSWVHH-KBMXLJTQSA-N 2 1 276.424 2.180 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641808171 372754806 /nfs/dbraw/zinc/75/48/06/372754806.db2.gz XJFOWDWAYZRDSP-IACUBPJLSA-N 2 1 275.396 2.037 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000641797354 372737839 /nfs/dbraw/zinc/73/78/39/372737839.db2.gz AWYOUANOIOKLNT-ZDUSSCGKSA-N 2 1 284.306 2.179 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000641797354 372737847 /nfs/dbraw/zinc/73/78/47/372737847.db2.gz AWYOUANOIOKLNT-ZDUSSCGKSA-N 2 1 284.306 2.179 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000641797394 372738566 /nfs/dbraw/zinc/73/85/66/372738566.db2.gz BTSDAYHBAPQUHK-PWSUYJOCSA-N 2 1 251.374 2.105 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000641797394 372738569 /nfs/dbraw/zinc/73/85/69/372738569.db2.gz BTSDAYHBAPQUHK-PWSUYJOCSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])o1 ZINC000641821678 372767641 /nfs/dbraw/zinc/76/76/41/372767641.db2.gz OJENAFTZPMFEON-DGCLKSJQSA-N 2 1 265.401 2.495 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+][C@@H]1CC ZINC000353433857 220081369 /nfs/dbraw/zinc/08/13/69/220081369.db2.gz VFGWFWXUKAPIEB-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000270598439 372859872 /nfs/dbraw/zinc/85/98/72/372859872.db2.gz GLPNVOBARACBIU-MRXNPFEDSA-N 2 1 291.370 2.386 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000270598439 372859885 /nfs/dbraw/zinc/85/98/85/372859885.db2.gz GLPNVOBARACBIU-MRXNPFEDSA-N 2 1 291.370 2.386 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)c1ccc(F)cc1 ZINC000270660158 372888268 /nfs/dbraw/zinc/88/82/68/372888268.db2.gz VQJNOXGFVGUGBQ-INIZCTEOSA-N 2 1 280.387 2.277 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)c1ccc(F)cc1 ZINC000270660158 372888278 /nfs/dbraw/zinc/88/82/78/372888278.db2.gz VQJNOXGFVGUGBQ-INIZCTEOSA-N 2 1 280.387 2.277 20 0 CEADMP Cc1nc([C@@H]2CCCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)no1 ZINC000643057193 372938621 /nfs/dbraw/zinc/93/86/21/372938621.db2.gz XXJWSIJVEHYOCS-KGLIPLIRSA-N 2 1 278.400 2.295 20 0 CEADMP Cc1nc([C@@H]2CCCC[N@H+]2CC[C@H]2CCC[NH2+]C2)no1 ZINC000643057193 372938625 /nfs/dbraw/zinc/93/86/25/372938625.db2.gz XXJWSIJVEHYOCS-KGLIPLIRSA-N 2 1 278.400 2.295 20 0 CEADMP Cc1cnc(CC[N@H+](C)CCn2cc[nH+]c2C)s1 ZINC000270833684 372973872 /nfs/dbraw/zinc/97/38/72/372973872.db2.gz DMRAMLHOLYLVIB-UHFFFAOYSA-N 2 1 264.398 2.131 20 0 CEADMP Cc1cnc(CC[N@@H+](C)CCn2cc[nH+]c2C)s1 ZINC000270833684 372973880 /nfs/dbraw/zinc/97/38/80/372973880.db2.gz DMRAMLHOLYLVIB-UHFFFAOYSA-N 2 1 264.398 2.131 20 0 CEADMP CN(C[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000643256326 373002543 /nfs/dbraw/zinc/00/25/43/373002543.db2.gz QPGGAYBZJBJUSN-MSOLQXFVSA-N 2 1 287.451 2.287 20 0 CEADMP CN(C[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000643256326 373002551 /nfs/dbraw/zinc/00/25/51/373002551.db2.gz QPGGAYBZJBJUSN-MSOLQXFVSA-N 2 1 287.451 2.287 20 0 CEADMP CN(C[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643256326 373002561 /nfs/dbraw/zinc/00/25/61/373002561.db2.gz QPGGAYBZJBJUSN-MSOLQXFVSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000353534809 220141945 /nfs/dbraw/zinc/14/19/45/220141945.db2.gz UUMFWKDSXNVDLK-ILXRZTDVSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000353534809 220141947 /nfs/dbraw/zinc/14/19/47/220141947.db2.gz UUMFWKDSXNVDLK-ILXRZTDVSA-N 2 1 299.422 2.401 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccnn1C ZINC000643484236 373150600 /nfs/dbraw/zinc/15/06/00/373150600.db2.gz JXFBIRNJTWEVOB-ZNMIVQPWSA-N 2 1 278.444 2.280 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccnn1C ZINC000643484129 373151092 /nfs/dbraw/zinc/15/10/92/373151092.db2.gz APHRMCPVOLGFMI-OLZOCXBDSA-N 2 1 287.411 2.318 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCNc2ccccn2)[C@@H]2CCC[C@H]21 ZINC000367640325 373171849 /nfs/dbraw/zinc/17/18/49/373171849.db2.gz ZUDONGHOVHSSFS-HRCADAONSA-N 2 1 288.439 2.346 20 0 CEADMP Cc1noc(C2CCC([NH2+]C[C@H]3CCCC[NH2+]3)CC2)n1 ZINC000643502586 373161473 /nfs/dbraw/zinc/16/14/73/373161473.db2.gz KRBDDARLPTUGLR-JXQTWKCFSA-N 2 1 278.400 2.136 20 0 CEADMP C[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367602711 373165723 /nfs/dbraw/zinc/16/57/23/373165723.db2.gz VSKHGJLZLSJPII-BRWVUGGUSA-N 3 1 279.472 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)[C@H]2CCC[C@H]21 ZINC000367602711 373165728 /nfs/dbraw/zinc/16/57/28/373165728.db2.gz VSKHGJLZLSJPII-BRWVUGGUSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@H](NCC[NH2+]C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643507723 373169624 /nfs/dbraw/zinc/16/96/24/373169624.db2.gz NRCJOSRTZCLHIY-DOTOQJQBSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000643457644 373128265 /nfs/dbraw/zinc/12/82/65/373128265.db2.gz SKSFMALSINGNHC-RDJZCZTQSA-N 2 1 287.451 2.096 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000643457644 373128274 /nfs/dbraw/zinc/12/82/74/373128274.db2.gz SKSFMALSINGNHC-RDJZCZTQSA-N 3 1 287.451 2.096 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000643457644 373128279 /nfs/dbraw/zinc/12/82/79/373128279.db2.gz SKSFMALSINGNHC-RDJZCZTQSA-N 3 1 287.451 2.096 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC12CCOCC2)C1CCCCC1 ZINC000643511477 373171344 /nfs/dbraw/zinc/17/13/44/373171344.db2.gz ZCKIEADEILZOMW-LSDHHAIUSA-N 2 1 266.429 2.443 20 0 CEADMP COc1ccc(C)cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000353571518 220164732 /nfs/dbraw/zinc/16/47/32/220164732.db2.gz RVKLKSDXPCCPIU-AWEZNQCLSA-N 2 1 262.397 2.387 20 0 CEADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000353571518 220164734 /nfs/dbraw/zinc/16/47/34/220164734.db2.gz RVKLKSDXPCCPIU-AWEZNQCLSA-N 2 1 262.397 2.387 20 0 CEADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C2 ZINC000271425084 373189415 /nfs/dbraw/zinc/18/94/15/373189415.db2.gz CKDSKLCCJCFKPD-BPLDGKMQSA-N 2 1 290.407 2.071 20 0 CEADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C2 ZINC000271425084 373189426 /nfs/dbraw/zinc/18/94/26/373189426.db2.gz CKDSKLCCJCFKPD-BPLDGKMQSA-N 2 1 290.407 2.071 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cncs1 ZINC000643546114 373203135 /nfs/dbraw/zinc/20/31/35/373203135.db2.gz IRYYNKKGNXZCIU-GHMZBOCLSA-N 2 1 251.399 2.468 20 0 CEADMP CCn1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000643546164 373203969 /nfs/dbraw/zinc/20/39/69/373203969.db2.gz JXEGUNWYOVYRAH-OCCSQVGLSA-N 2 1 262.401 2.228 20 0 CEADMP CCn1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000643546163 373204016 /nfs/dbraw/zinc/20/40/16/373204016.db2.gz JXEGUNWYOVYRAH-JSGCOSHPSA-N 2 1 262.401 2.228 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]CCCn2cc[nH+]c2C)o1 ZINC000272019673 373264932 /nfs/dbraw/zinc/26/49/32/373264932.db2.gz LBYPZHDAJRJWBC-UHFFFAOYSA-N 2 1 291.351 2.141 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000369208192 373361228 /nfs/dbraw/zinc/36/12/28/373361228.db2.gz VQOQVCGPISOXOT-CQSZACIVSA-N 2 1 263.385 2.130 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000272321733 373428092 /nfs/dbraw/zinc/42/80/92/373428092.db2.gz KOMSGYSBNXBXBD-KRWDZBQOSA-N 2 1 276.424 2.343 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000272321733 373428101 /nfs/dbraw/zinc/42/81/01/373428101.db2.gz KOMSGYSBNXBXBD-KRWDZBQOSA-N 2 1 276.424 2.343 20 0 CEADMP COC(=O)CCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000369324776 373385327 /nfs/dbraw/zinc/38/53/27/373385327.db2.gz GKSUNCGDSADUSZ-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000369324776 373385334 /nfs/dbraw/zinc/38/53/34/373385334.db2.gz GKSUNCGDSADUSZ-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000369324776 373385343 /nfs/dbraw/zinc/38/53/43/373385343.db2.gz GKSUNCGDSADUSZ-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000369324776 373385348 /nfs/dbraw/zinc/38/53/48/373385348.db2.gz GKSUNCGDSADUSZ-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000369324776 373385352 /nfs/dbraw/zinc/38/53/52/373385352.db2.gz GKSUNCGDSADUSZ-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272274780 373401578 /nfs/dbraw/zinc/40/15/78/373401578.db2.gz CAOBBDFHMPUKBP-USXIJHARSA-N 2 1 274.408 2.276 20 0 CEADMP Cc1cncc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353621723 220197692 /nfs/dbraw/zinc/19/76/92/220197692.db2.gz MPJPJABLVCILCR-XHSDSOJGSA-N 2 1 259.397 2.352 20 0 CEADMP C[N@@H+](CCC[NH2+]CC1(O)CCC1)Cc1ccccc1 ZINC000644513879 373505014 /nfs/dbraw/zinc/50/50/14/373505014.db2.gz ZVOHUQAFSGMDFZ-UHFFFAOYSA-N 2 1 262.397 2.013 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247177345 220220099 /nfs/dbraw/zinc/22/00/99/220220099.db2.gz UZKWYAQSTOIALB-APIJFGDWSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)[N@H+]1CCC[C@@H](C)C1 ZINC000247177345 220220103 /nfs/dbraw/zinc/22/01/03/220220103.db2.gz UZKWYAQSTOIALB-APIJFGDWSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000370504779 373671291 /nfs/dbraw/zinc/67/12/91/373671291.db2.gz LYZCTTQEQZXBFM-HUUCEWRRSA-N 2 1 276.428 2.464 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000370504779 373671297 /nfs/dbraw/zinc/67/12/97/373671297.db2.gz LYZCTTQEQZXBFM-HUUCEWRRSA-N 2 1 276.428 2.464 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000246561013 189929569 /nfs/dbraw/zinc/92/95/69/189929569.db2.gz UJRJSNBYJFLZRY-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccsc3)C2)CC1 ZINC000371333672 373846119 /nfs/dbraw/zinc/84/61/19/373846119.db2.gz VRZQSCQWXHHIPF-INIZCTEOSA-N 2 1 293.480 2.348 20 0 CEADMP CC1=CCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353667634 220240949 /nfs/dbraw/zinc/24/09/49/220240949.db2.gz CNWWAZZDSRPIIN-ZACQAIPSSA-N 2 1 277.456 2.101 20 0 CEADMP CC1=CC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353667634 220240951 /nfs/dbraw/zinc/24/09/51/220240951.db2.gz CNWWAZZDSRPIIN-ZACQAIPSSA-N 2 1 277.456 2.101 20 0 CEADMP CC1=CC[NH+](CCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353667634 220240954 /nfs/dbraw/zinc/24/09/54/220240954.db2.gz CNWWAZZDSRPIIN-ZACQAIPSSA-N 2 1 277.456 2.101 20 0 CEADMP CC1=CC[N@H+](CCN[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353667634 220240956 /nfs/dbraw/zinc/24/09/56/220240956.db2.gz CNWWAZZDSRPIIN-ZACQAIPSSA-N 2 1 277.456 2.101 20 0 CEADMP CC1=CC[N@@H+](CCN[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353667634 220240958 /nfs/dbraw/zinc/24/09/58/220240958.db2.gz CNWWAZZDSRPIIN-ZACQAIPSSA-N 2 1 277.456 2.101 20 0 CEADMP CCC(CC)C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372450835 374132325 /nfs/dbraw/zinc/13/23/25/374132325.db2.gz CMVXYKZVQXZTRY-KRWDZBQOSA-N 2 1 281.488 2.382 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000645560939 374108993 /nfs/dbraw/zinc/10/89/93/374108993.db2.gz IJMYHXHPOBEWFM-RCBQFDQVSA-N 2 1 287.407 2.063 20 0 CEADMP CC[C@](C)(O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000372553907 374154681 /nfs/dbraw/zinc/15/46/81/374154681.db2.gz NYRDZQKKWSVQQP-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP Cc1cnccc1CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000645811673 374199084 /nfs/dbraw/zinc/19/90/84/374199084.db2.gz BCFDYPHFDRASFN-GOEBONIOSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cnccc1CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000645811673 374199090 /nfs/dbraw/zinc/19/90/90/374199090.db2.gz BCFDYPHFDRASFN-GOEBONIOSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cnccc1CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000645811673 374199098 /nfs/dbraw/zinc/19/90/98/374199098.db2.gz BCFDYPHFDRASFN-GOEBONIOSA-N 2 1 261.413 2.347 20 0 CEADMP Cc1cnccc1CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000645811673 374199105 /nfs/dbraw/zinc/19/91/05/374199105.db2.gz BCFDYPHFDRASFN-GOEBONIOSA-N 2 1 261.413 2.347 20 0 CEADMP COc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c(OC)c1 ZINC000275273379 374203000 /nfs/dbraw/zinc/20/30/00/374203000.db2.gz LWRFHHSQMFXLJJ-CZUORRHYSA-N 2 1 292.423 2.476 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](O)c2ccccc2C1 ZINC000373246147 374306325 /nfs/dbraw/zinc/30/63/25/374306325.db2.gz UAUYAEFGXZEMEH-RDJZCZTQSA-N 2 1 274.408 2.410 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](O)c2ccccc2C1 ZINC000373246147 374306331 /nfs/dbraw/zinc/30/63/31/374306331.db2.gz UAUYAEFGXZEMEH-RDJZCZTQSA-N 2 1 274.408 2.410 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000373246147 374306335 /nfs/dbraw/zinc/30/63/35/374306335.db2.gz UAUYAEFGXZEMEH-RDJZCZTQSA-N 2 1 274.408 2.410 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000373246147 374306340 /nfs/dbraw/zinc/30/63/40/374306340.db2.gz UAUYAEFGXZEMEH-RDJZCZTQSA-N 2 1 274.408 2.410 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(-n2cccn2)cc1 ZINC000276736980 374283484 /nfs/dbraw/zinc/28/34/84/374283484.db2.gz YRAFBFXZYICBHM-AWEZNQCLSA-N 2 1 295.390 2.499 20 0 CEADMP C[C@@H](NCc1ccccc1-n1ccnc1)c1ccc(=O)[nH]n1 ZINC000373342876 374331592 /nfs/dbraw/zinc/33/15/92/374331592.db2.gz DYHZZCZRYWXCQB-GFCCVEGCSA-N 2 1 295.346 2.219 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000277184252 374431366 /nfs/dbraw/zinc/43/13/66/374431366.db2.gz LJTVNBMLKKXPHB-SJORKVTESA-N 2 1 276.424 2.006 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1O ZINC000277221314 374443546 /nfs/dbraw/zinc/44/35/46/374443546.db2.gz MCJLRRRXVUDZQU-CYBMUJFWSA-N 2 1 292.423 2.406 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000374192563 374508144 /nfs/dbraw/zinc/50/81/44/374508144.db2.gz HBNXUNWNPUQSEO-CVEARBPZSA-N 2 1 276.428 2.489 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000374192563 374508149 /nfs/dbraw/zinc/50/81/49/374508149.db2.gz HBNXUNWNPUQSEO-CVEARBPZSA-N 2 1 276.428 2.489 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277376249 374497502 /nfs/dbraw/zinc/49/75/02/374497502.db2.gz XZDVFNGSPZNKQO-HNNXBMFYSA-N 2 1 277.412 2.315 20 0 CEADMP Cc1ccn2c(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cnc2c1 ZINC000334209654 206195097 /nfs/dbraw/zinc/19/50/97/206195097.db2.gz DIHYHXNQWCQIPT-UONOGXRCSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1ccn2c(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cnc2c1 ZINC000334209654 206195101 /nfs/dbraw/zinc/19/51/01/206195101.db2.gz DIHYHXNQWCQIPT-UONOGXRCSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334231431 206229000 /nfs/dbraw/zinc/22/90/00/206229000.db2.gz UKESEHFCJHRBRB-QGZVFWFLSA-N 2 1 284.407 2.218 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334231431 206229003 /nfs/dbraw/zinc/22/90/03/206229003.db2.gz UKESEHFCJHRBRB-QGZVFWFLSA-N 2 1 284.407 2.218 20 0 CEADMP CC(C)C[C@@H](C)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000375593958 374663553 /nfs/dbraw/zinc/66/35/53/374663553.db2.gz BDSIPVWADFSCJS-SJORKVTESA-N 2 1 281.488 2.380 20 0 CEADMP O=C(Nc1ccn2ccnc2c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377811963 374956645 /nfs/dbraw/zinc/95/66/45/374956645.db2.gz RBELJZWRNSVFQP-GXTWGEPZSA-N 2 1 299.378 2.083 20 0 CEADMP CC(C)n1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)nn1 ZINC000377882101 374973182 /nfs/dbraw/zinc/97/31/82/374973182.db2.gz CQLWNSSZZHTSSR-HNNXBMFYSA-N 2 1 291.443 2.023 20 0 CEADMP CC(C)n1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)nn1 ZINC000377882101 374973186 /nfs/dbraw/zinc/97/31/86/374973186.db2.gz CQLWNSSZZHTSSR-HNNXBMFYSA-N 2 1 291.443 2.023 20 0 CEADMP O[C@]1(Cc2cccc(Cl)c2)CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000378372221 375085020 /nfs/dbraw/zinc/08/50/20/375085020.db2.gz ADBDWVFENULSDF-HNNXBMFYSA-N 2 1 291.782 2.243 20 0 CEADMP O[C@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2c[nH]cn2)C1 ZINC000378372221 375085027 /nfs/dbraw/zinc/08/50/27/375085027.db2.gz ADBDWVFENULSDF-HNNXBMFYSA-N 2 1 291.782 2.243 20 0 CEADMP COCc1cccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000388524349 375293176 /nfs/dbraw/zinc/29/31/76/375293176.db2.gz MSSIWTSVWPEFLP-CZUORRHYSA-N 2 1 262.397 2.250 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399074250 375356596 /nfs/dbraw/zinc/35/65/96/375356596.db2.gz OUHOZUXHYLHRJB-CIRFHOKZSA-N 2 1 287.451 2.237 20 0 CEADMP C[N@@H+]1CCN(CC[NH2+]Cc2c(F)cccc2F)CC1(C)C ZINC000282296381 375451775 /nfs/dbraw/zinc/45/17/75/375451775.db2.gz JKAFUYKTQHENLG-UHFFFAOYSA-N 2 1 297.393 2.080 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]Cc2c(F)cccc2F)CC1(C)C ZINC000282296381 375451780 /nfs/dbraw/zinc/45/17/80/375451780.db2.gz JKAFUYKTQHENLG-UHFFFAOYSA-N 2 1 297.393 2.080 20 0 CEADMP Cc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282530294 375508043 /nfs/dbraw/zinc/50/80/43/375508043.db2.gz YYGUPIZUDNMOKC-UHFFFAOYSA-N 2 1 275.440 2.111 20 0 CEADMP COc1ncc([C@@H](C)NC[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000284134741 375815355 /nfs/dbraw/zinc/81/53/55/375815355.db2.gz CZFWYZACYALFAG-PWSUYJOCSA-N 2 1 283.803 2.488 20 0 CEADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)nn1 ZINC000414276547 375815869 /nfs/dbraw/zinc/81/58/69/375815869.db2.gz AFQLOLIZGZYVGA-CQSZACIVSA-N 2 1 276.428 2.387 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)[C@H](C)C1 ZINC000414305167 375829836 /nfs/dbraw/zinc/82/98/36/375829836.db2.gz FMBFSRLXHNZDMZ-KMFMINBZSA-N 2 1 294.414 2.222 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000414796684 375980408 /nfs/dbraw/zinc/98/04/08/375980408.db2.gz OLHLYYZPFXKZCV-LBPRGKRZSA-N 2 1 258.312 2.361 20 0 CEADMP C[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C1CC([NH3+])C1 ZINC000414778309 375962953 /nfs/dbraw/zinc/96/29/53/375962953.db2.gz PQFXCWZLFPJYBI-VMBOVVBDSA-N 2 1 290.407 2.166 20 0 CEADMP C[N@@H+](Cc1ccc(OCC(F)F)cc1)C1CC([NH3+])C1 ZINC000414782542 375965666 /nfs/dbraw/zinc/96/56/66/375965666.db2.gz XSTINZWQSOKGLM-UHFFFAOYSA-N 2 1 270.323 2.252 20 0 CEADMP CCCn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414788591 375970880 /nfs/dbraw/zinc/97/08/80/375970880.db2.gz XEDPUMQEUWWHKI-HZPDHXFCSA-N 2 1 276.428 2.115 20 0 CEADMP CCCCC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C(C)C ZINC000414683273 375916596 /nfs/dbraw/zinc/91/65/96/375916596.db2.gz ZUPMJBQTOFQEJC-OAHLLOKOSA-N 2 1 283.460 2.084 20 0 CEADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414683581 375917007 /nfs/dbraw/zinc/91/70/07/375917007.db2.gz BNSXTOZEKMUWHH-ARFHVFGLSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC[C@@H](N3CCCC3)C2)CC[NH2+]1 ZINC000414690090 375920687 /nfs/dbraw/zinc/92/06/87/375920687.db2.gz HSFQZJAVZWRNAX-IXDOHACOSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1C[C@@H](CN2CCCC[C@@H]([NH+]3CCCC3)C2)CC[NH2+]1 ZINC000414690090 375920695 /nfs/dbraw/zinc/92/06/95/375920695.db2.gz HSFQZJAVZWRNAX-IXDOHACOSA-N 2 1 279.472 2.325 20 0 CEADMP COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414702129 375928377 /nfs/dbraw/zinc/92/83/77/375928377.db2.gz UUNYTBODFMMQDB-LZWOXQAQSA-N 2 1 290.407 2.221 20 0 CEADMP COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414702129 375928384 /nfs/dbraw/zinc/92/83/84/375928384.db2.gz UUNYTBODFMMQDB-LZWOXQAQSA-N 2 1 290.407 2.221 20 0 CEADMP C[C@H]1C[C@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CC[NH2+]1 ZINC000414703558 375929962 /nfs/dbraw/zinc/92/99/62/375929962.db2.gz VPLRKAQGSKYMPW-GOEBONIOSA-N 3 1 290.455 2.063 20 0 CEADMP CCC[C@@H]1CN(CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000414715452 375936710 /nfs/dbraw/zinc/93/67/10/375936710.db2.gz WVPUERAOVFHPOA-QGZVFWFLSA-N 2 1 275.440 2.322 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1Cl ZINC000414796298 375979553 /nfs/dbraw/zinc/97/95/53/375979553.db2.gz HJXFDTNIDKXZSO-LBPRGKRZSA-N 2 1 254.761 2.176 20 0 CEADMP CCOC(=O)[C@H](CC)[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000414736239 375943032 /nfs/dbraw/zinc/94/30/32/375943032.db2.gz GJPYPENMUUZDBT-YDHLFZDLSA-N 2 1 282.428 2.181 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414756778 375950613 /nfs/dbraw/zinc/95/06/13/375950613.db2.gz KDRYYOXRWGHJIF-ZMSDIMECSA-N 2 1 296.455 2.286 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000414808595 375994757 /nfs/dbraw/zinc/99/47/57/375994757.db2.gz FITWZDNBGBLIKS-HNNXBMFYSA-N 2 1 263.385 2.252 20 0 CEADMP C[C@@H]([NH3+])c1ccc(CN[C@H](C)C[C@H]2CCC[NH2+]2)cc1 ZINC000414816577 376001169 /nfs/dbraw/zinc/00/11/69/376001169.db2.gz QCMROVIFIXHNDL-XJKCOSOUSA-N 2 1 261.413 2.327 20 0 CEADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414818757 376003426 /nfs/dbraw/zinc/00/34/26/376003426.db2.gz FVJFVEQBRUBGOO-OFQRWUPVSA-N 2 1 261.413 2.149 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414818757 376003433 /nfs/dbraw/zinc/00/34/33/376003433.db2.gz FVJFVEQBRUBGOO-OFQRWUPVSA-N 2 1 261.413 2.149 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414924646 376010165 /nfs/dbraw/zinc/01/01/65/376010165.db2.gz IWLBMADZKUJTPC-LALPHHSUSA-N 2 1 250.361 2.344 20 0 CEADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414797758 375982587 /nfs/dbraw/zinc/98/25/87/375982587.db2.gz BNLHOPVZWDGBLC-BDJLRTHQSA-N 2 1 272.396 2.211 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OC)c(O)c1 ZINC000414799256 375982834 /nfs/dbraw/zinc/98/28/34/375982834.db2.gz GJLUTYIFLLFULJ-UHFFFAOYSA-N 2 1 252.358 2.008 20 0 CEADMP C[C@H]1C[C@H](CNCC[NH2+]C2CCCCCC2)CC[NH2+]1 ZINC000414805080 375990862 /nfs/dbraw/zinc/99/08/62/375990862.db2.gz LRDKNDBPWHGELJ-LSDHHAIUSA-N 2 1 267.461 2.277 20 0 CEADMP C[C@H]1C[C@H](C[NH2+]CCNC2CCCCCC2)CC[NH2+]1 ZINC000414805080 375990869 /nfs/dbraw/zinc/99/08/69/375990869.db2.gz LRDKNDBPWHGELJ-LSDHHAIUSA-N 2 1 267.461 2.277 20 0 CEADMP COCCc1ccnc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000287398425 376223741 /nfs/dbraw/zinc/22/37/41/376223741.db2.gz IZLBZQFPPKYDFQ-UMVBOHGHSA-N 2 1 277.412 2.411 20 0 CEADMP CCc1nc(N2CCC[C@H]([NH+](C)C)CC2)cc(C)[nH+]1 ZINC000287617687 376276655 /nfs/dbraw/zinc/27/66/55/376276655.db2.gz GLPRRKRFDFZJJJ-ZDUSSCGKSA-N 2 1 262.401 2.268 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000419249214 376412954 /nfs/dbraw/zinc/41/29/54/376412954.db2.gz YGPQNJWBLLPFCS-BZUAXINKSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000419249214 376412956 /nfs/dbraw/zinc/41/29/56/376412956.db2.gz YGPQNJWBLLPFCS-BZUAXINKSA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000419249214 376412957 /nfs/dbraw/zinc/41/29/57/376412957.db2.gz YGPQNJWBLLPFCS-BZUAXINKSA-N 2 1 268.445 2.464 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOC(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000556887573 376514231 /nfs/dbraw/zinc/51/42/31/376514231.db2.gz ZIGPMMFUWRCALI-IHRRRGAJSA-N 2 1 254.418 2.264 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000305788617 376492903 /nfs/dbraw/zinc/49/29/03/376492903.db2.gz SOLYGGQJSXJARM-DLBZAZTESA-N 2 1 276.424 2.430 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000305788622 376493282 /nfs/dbraw/zinc/49/32/82/376493282.db2.gz SOLYGGQJSXJARM-SJORKVTESA-N 2 1 276.424 2.430 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000305976072 376533180 /nfs/dbraw/zinc/53/31/80/376533180.db2.gz QONQUPLXKNWIEJ-ZNMIVQPWSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000305976072 376533189 /nfs/dbraw/zinc/53/31/89/376533189.db2.gz QONQUPLXKNWIEJ-ZNMIVQPWSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309742901 376603314 /nfs/dbraw/zinc/60/33/14/376603314.db2.gz WPNBFEVLQJCULN-GDBMZVCRSA-N 2 1 276.424 2.258 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000307758781 376571536 /nfs/dbraw/zinc/57/15/36/376571536.db2.gz PSCZPZGCYPZVAH-KURKYZTESA-N 2 1 286.419 2.229 20 0 CEADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000307758781 376571539 /nfs/dbraw/zinc/57/15/39/376571539.db2.gz PSCZPZGCYPZVAH-KURKYZTESA-N 2 1 286.419 2.229 20 0 CEADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000307758781 376571542 /nfs/dbraw/zinc/57/15/42/376571542.db2.gz PSCZPZGCYPZVAH-KURKYZTESA-N 2 1 286.419 2.229 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000289978132 376586312 /nfs/dbraw/zinc/58/63/12/376586312.db2.gz XSOQMYXMKKEKEH-YJBOKZPZSA-N 2 1 298.434 2.452 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000289978132 376586318 /nfs/dbraw/zinc/58/63/18/376586318.db2.gz XSOQMYXMKKEKEH-YJBOKZPZSA-N 2 1 298.434 2.452 20 0 CEADMP C[C@H]1C[N@@H+](CCc2cncn2C)C[C@@H](c2ccccc2)O1 ZINC000289980397 376586483 /nfs/dbraw/zinc/58/64/83/376586483.db2.gz JPWVULGISRAUEK-YOEHRIQHSA-N 2 1 285.391 2.425 20 0 CEADMP C[C@H]1CN(CCc2cncn2C)C[C@@H](c2ccccc2)O1 ZINC000289980397 376586488 /nfs/dbraw/zinc/58/64/88/376586488.db2.gz JPWVULGISRAUEK-YOEHRIQHSA-N 2 1 285.391 2.425 20 0 CEADMP Cc1cnn([C@H]2CC[N@H+](CCCn3cc[nH+]c3C)C2)c1 ZINC000289977892 376586539 /nfs/dbraw/zinc/58/65/39/376586539.db2.gz RLZBWKWHMMXREM-HNNXBMFYSA-N 2 1 273.384 2.034 20 0 CEADMP Cc1cnn([C@H]2CC[N@@H+](CCCn3cc[nH+]c3C)C2)c1 ZINC000289977892 376586545 /nfs/dbraw/zinc/58/65/45/376586545.db2.gz RLZBWKWHMMXREM-HNNXBMFYSA-N 2 1 273.384 2.034 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+]Cc1cc(F)ccc1Br ZINC000308973329 376588474 /nfs/dbraw/zinc/58/84/74/376588474.db2.gz HLFPXBHECXIZJS-QMMMGPOBSA-N 2 1 275.165 2.273 20 0 CEADMP Cn1cncc1CC[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000290108790 376644013 /nfs/dbraw/zinc/64/40/13/376644013.db2.gz SOKQLSWRTWPJFJ-UHFFFAOYSA-N 2 1 290.436 2.430 20 0 CEADMP C=Cn1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000290308511 376727457 /nfs/dbraw/zinc/72/74/57/376727457.db2.gz BXYWXFYNFXKFOP-MRXNPFEDSA-N 2 1 274.412 2.147 20 0 CEADMP CC(C)C(C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)C ZINC000311506406 376673509 /nfs/dbraw/zinc/67/35/09/376673509.db2.gz ZOJXJDIAVHQPAN-LSDHHAIUSA-N 2 1 268.445 2.367 20 0 CEADMP CC(C)C(C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(C)C ZINC000311506406 376673514 /nfs/dbraw/zinc/67/35/14/376673514.db2.gz ZOJXJDIAVHQPAN-LSDHHAIUSA-N 2 1 268.445 2.367 20 0 CEADMP c1ccc(OCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000311864970 376691610 /nfs/dbraw/zinc/69/16/10/376691610.db2.gz KVYQNWZHIMEOQJ-ZBFHGGJFSA-N 2 1 260.381 2.139 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@]1(C)C[NH3+] ZINC000314147857 376764787 /nfs/dbraw/zinc/76/47/87/376764787.db2.gz HBWSLYBKYBCICR-RHSMWYFYSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@@]1(C)C[NH3+] ZINC000314147857 376764793 /nfs/dbraw/zinc/76/47/93/376764793.db2.gz HBWSLYBKYBCICR-RHSMWYFYSA-N 2 1 284.407 2.289 20 0 CEADMP CC[C@@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420984366 376756440 /nfs/dbraw/zinc/75/64/40/376756440.db2.gz SSCPZEIBUQJHGF-OAHLLOKOSA-N 2 1 267.461 2.277 20 0 CEADMP COCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280388599 542130831 /nfs/dbraw/zinc/13/08/31/542130831.db2.gz KGMPKJWWTXWHOG-RYQLBKOJSA-N 2 1 288.435 2.475 20 0 CEADMP COCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280388599 542130834 /nfs/dbraw/zinc/13/08/34/542130834.db2.gz KGMPKJWWTXWHOG-RYQLBKOJSA-N 2 1 288.435 2.475 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422977123 376901263 /nfs/dbraw/zinc/90/12/63/376901263.db2.gz JNEVQYFJCBYPPP-VXGBXAGGSA-N 2 1 271.364 2.482 20 0 CEADMP Cc1noc(C2CCC([NH2+]C[C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000562340612 376870574 /nfs/dbraw/zinc/87/05/74/376870574.db2.gz QLUTZBQELPHUBR-WLYUNCDWSA-N 2 1 292.427 2.336 20 0 CEADMP C[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)[C@H]1CCC[NH2+]1 ZINC000422957412 376882850 /nfs/dbraw/zinc/88/28/50/376882850.db2.gz TYTDKEYNMBSQBY-VXGBXAGGSA-N 2 1 279.453 2.295 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000422959689 376884565 /nfs/dbraw/zinc/88/45/65/376884565.db2.gz TYAZVXGOORCMOU-GVXVVHGQSA-N 2 1 295.814 2.161 20 0 CEADMP C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)C1C[NH2+]C1 ZINC000422963208 376888840 /nfs/dbraw/zinc/88/88/40/376888840.db2.gz HZNIYEIXMLAELE-GFCCVEGCSA-N 2 1 275.396 2.101 20 0 CEADMP Cn1cc(-c2cccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])c2)cn1 ZINC000422966415 376895897 /nfs/dbraw/zinc/89/58/97/376895897.db2.gz RJKVPKZFESRGLP-JKSUJKDBSA-N 2 1 270.380 2.057 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000422986850 376906867 /nfs/dbraw/zinc/90/68/67/376906867.db2.gz DLZOKROJDAQXRP-HIFRSBDPSA-N 2 1 290.407 2.326 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422995990 376911952 /nfs/dbraw/zinc/91/19/52/376911952.db2.gz KUAVTTQQDWPOMZ-BBWFWOEESA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422998896 376917644 /nfs/dbraw/zinc/91/76/44/376917644.db2.gz ROMLDXCOMIPYAC-ZACQAIPSSA-N 3 1 281.488 2.332 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422998896 376917647 /nfs/dbraw/zinc/91/76/47/376917647.db2.gz ROMLDXCOMIPYAC-ZACQAIPSSA-N 2 1 281.488 2.332 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422998896 376917650 /nfs/dbraw/zinc/91/76/50/376917650.db2.gz ROMLDXCOMIPYAC-ZACQAIPSSA-N 2 1 281.488 2.332 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)nc21)[C@@H]1CCC[NH2+]1 ZINC000423003331 376921886 /nfs/dbraw/zinc/92/18/86/376921886.db2.gz HKETUTVACDNNKP-ZNMIVQPWSA-N 2 1 276.428 2.189 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423003159 376922042 /nfs/dbraw/zinc/92/20/42/376922042.db2.gz KTNFEAQYXFYTCL-RISCZKNCSA-N 2 1 265.401 2.188 20 0 CEADMP CC[C@@H]([NH2+][C@H]1COc2cc(OC)ccc2C1)[C@@H]1CCC[NH2+]1 ZINC000423023716 376939387 /nfs/dbraw/zinc/93/93/87/376939387.db2.gz KHXUBVJWOUYISF-BMFZPTHFSA-N 2 1 290.407 2.119 20 0 CEADMP C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1c[nH+]ccc1N ZINC000423033899 376941272 /nfs/dbraw/zinc/94/12/72/376941272.db2.gz PCQXBFQWQNOSSD-JHJVBQTASA-N 2 1 263.385 2.350 20 0 CEADMP C[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1nccs1 ZINC000423041148 376945351 /nfs/dbraw/zinc/94/53/51/376945351.db2.gz WFOWEQHZMIYJRX-NXEZZACHSA-N 2 1 262.382 2.405 20 0 CEADMP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000423041068 376945803 /nfs/dbraw/zinc/94/58/03/376945803.db2.gz INQSTEQEQIOZSC-KBUPBQIOSA-N 2 1 254.418 2.168 20 0 CEADMP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423057619 376952465 /nfs/dbraw/zinc/95/24/65/376952465.db2.gz HNNXQHBOJJZBAV-UTUOFQBUSA-N 2 1 282.350 2.320 20 0 CEADMP OCC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccco1 ZINC000423057444 376952608 /nfs/dbraw/zinc/95/26/08/376952608.db2.gz ZSCRMZDUTMACNF-TUVASFSCSA-N 2 1 278.396 2.213 20 0 CEADMP CCOC1CC(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000423067721 376957175 /nfs/dbraw/zinc/95/71/75/376957175.db2.gz ICCLGUUYKSXCQD-HIFPTAJRSA-N 2 1 263.385 2.350 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000423077495 376969416 /nfs/dbraw/zinc/96/94/16/376969416.db2.gz UBQSGGHGHBSDMB-GJZGRUSLSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000423077495 376969419 /nfs/dbraw/zinc/96/94/19/376969419.db2.gz UBQSGGHGHBSDMB-GJZGRUSLSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C[C@H](C)O1 ZINC000423117851 377013483 /nfs/dbraw/zinc/01/34/83/377013483.db2.gz XORSUEYGFUXGAY-UXXRCYHCSA-N 2 1 254.418 2.168 20 0 CEADMP Cc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1c[nH+]ccc1N)C2 ZINC000423138014 377037261 /nfs/dbraw/zinc/03/72/61/377037261.db2.gz ITGNDFAIGVVLKU-OCCSQVGLSA-N 2 1 283.375 2.457 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423141794 377039400 /nfs/dbraw/zinc/03/94/00/377039400.db2.gz RVGXRZGHRKWFPJ-KKUMJFAQSA-N 2 1 255.450 2.227 20 0 CEADMP Cc1ncsc1CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423147381 377047626 /nfs/dbraw/zinc/04/76/26/377047626.db2.gz CMWLSAQAGTUJGL-SECBINFHSA-N 2 1 262.382 2.152 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000423089980 376981755 /nfs/dbraw/zinc/98/17/55/376981755.db2.gz WHUVHFJUIQZSAI-KFWWJZLASA-N 2 1 267.461 2.085 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000423089980 376981765 /nfs/dbraw/zinc/98/17/65/376981765.db2.gz WHUVHFJUIQZSAI-KFWWJZLASA-N 2 1 267.461 2.085 20 0 CEADMP CC1(C)C(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1(C)C ZINC000423092496 376986149 /nfs/dbraw/zinc/98/61/49/376986149.db2.gz CAVOYTGJFCJVGJ-MGPQQGTHSA-N 2 1 280.456 2.415 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000423095450 376989212 /nfs/dbraw/zinc/98/92/12/376989212.db2.gz MGUNMAWFFIKCGK-LZWOXQAQSA-N 2 1 267.461 2.499 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423098104 376991622 /nfs/dbraw/zinc/99/16/22/376991622.db2.gz KFQQGUPBVIJKPM-VHSXEESVSA-N 2 1 291.317 2.238 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000562744347 376991843 /nfs/dbraw/zinc/99/18/43/376991843.db2.gz ZQTYJXNECSSYRA-GHMZBOCLSA-N 2 1 254.324 2.443 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C12CCCC2 ZINC000423194834 377111119 /nfs/dbraw/zinc/11/11/19/377111119.db2.gz RTQFTTGYHFJCTM-HZSPNIEDSA-N 2 1 252.402 2.066 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC1([NH3+])CCCCCC1 ZINC000423203691 377119607 /nfs/dbraw/zinc/11/96/07/377119607.db2.gz SYEUAUWYEHNIBU-QLFBSQMISA-N 2 1 267.461 2.356 20 0 CEADMP Cc1ccc(F)c(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000423153317 377054009 /nfs/dbraw/zinc/05/40/09/377054009.db2.gz NCXADSSETRTVII-WFASDCNBSA-N 2 1 250.361 2.407 20 0 CEADMP Cc1ccncc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423152513 377054511 /nfs/dbraw/zinc/05/45/11/377054511.db2.gz LRFGTABPUAATNE-PBHICJAKSA-N 2 1 269.392 2.438 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[N@H+]1CCCC1(C)C ZINC000423160834 377067880 /nfs/dbraw/zinc/06/78/80/377067880.db2.gz IAWKVSAIFVBUAW-CYBMUJFWSA-N 2 1 290.455 2.374 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCN1CCCC1(C)C ZINC000423160834 377067888 /nfs/dbraw/zinc/06/78/88/377067888.db2.gz IAWKVSAIFVBUAW-CYBMUJFWSA-N 2 1 290.455 2.374 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000423172313 377079313 /nfs/dbraw/zinc/07/93/13/377079313.db2.gz SEFURLBNTKQDNP-AEJSXWLSSA-N 2 1 253.415 2.408 20 0 CEADMP C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000423176263 377084453 /nfs/dbraw/zinc/08/44/53/377084453.db2.gz FYYXCELUGANCOZ-XNRPHZJLSA-N 2 1 280.387 2.022 20 0 CEADMP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH2+]CC2)s1 ZINC000423179118 377089810 /nfs/dbraw/zinc/08/98/10/377089810.db2.gz HATNDFZUAUWPCB-VIFPVBQESA-N 2 1 253.415 2.417 20 0 CEADMP [NH3+]CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423183636 377097853 /nfs/dbraw/zinc/09/78/53/377097853.db2.gz LJFVLMQMOLLBTP-FGTMMUONSA-N 2 1 287.451 2.226 20 0 CEADMP COc1ccccc1/C=C\C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000563136193 377104464 /nfs/dbraw/zinc/10/44/64/377104464.db2.gz IHWPBCSKULEMBX-WRLNGNIRSA-N 2 1 260.381 2.379 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000563136193 377104468 /nfs/dbraw/zinc/10/44/68/377104468.db2.gz IHWPBCSKULEMBX-WRLNGNIRSA-N 2 1 260.381 2.379 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423269539 377189610 /nfs/dbraw/zinc/18/96/10/377189610.db2.gz HDPPOYDEYWHPGW-ZOBUZTSGSA-N 2 1 275.440 2.095 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000423269539 377189616 /nfs/dbraw/zinc/18/96/16/377189616.db2.gz HDPPOYDEYWHPGW-ZOBUZTSGSA-N 2 1 275.440 2.095 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])CC(C)C)C12CCC2 ZINC000423272542 377193971 /nfs/dbraw/zinc/19/39/71/377193971.db2.gz ZCBSESXWPSTPEH-MELADBBJSA-N 2 1 254.418 2.297 20 0 CEADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CC[NH2+]C2)C3)cc1 ZINC000423216703 377133483 /nfs/dbraw/zinc/13/34/83/377133483.db2.gz QNVLNYVWCAASLA-FJIDUMEYSA-N 2 1 285.435 2.134 20 0 CEADMP C[C@H]([NH3+])CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423222809 377138664 /nfs/dbraw/zinc/13/86/64/377138664.db2.gz CSWOSWQBYABIFK-YQQAZPJKSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423222809 377138668 /nfs/dbraw/zinc/13/86/68/377138668.db2.gz CSWOSWQBYABIFK-YQQAZPJKSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423222809 377138672 /nfs/dbraw/zinc/13/86/72/377138672.db2.gz CSWOSWQBYABIFK-YQQAZPJKSA-N 3 1 275.440 2.224 20 0 CEADMP C[NH2+]CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423226838 377142357 /nfs/dbraw/zinc/14/23/57/377142357.db2.gz SMZWWMKDLLSVHD-FGTMMUONSA-N 2 1 287.451 2.096 20 0 CEADMP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423230526 377148647 /nfs/dbraw/zinc/14/86/47/377148647.db2.gz DXLGVHHQQMIDFM-MELADBBJSA-N 2 1 254.418 2.168 20 0 CEADMP COCC[NH2+]C1CC[NH+](CCc2ccc(C)cc2)CC1 ZINC000563270235 377150693 /nfs/dbraw/zinc/15/06/93/377150693.db2.gz XNJPPLPKENBBDF-UHFFFAOYSA-N 2 1 276.424 2.238 20 0 CEADMP CC[NH2+]CCN[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000423253452 377173353 /nfs/dbraw/zinc/17/33/53/377173353.db2.gz ZCYUKZJQLZVSAC-CYBMUJFWSA-N 2 1 272.396 2.441 20 0 CEADMP CC(C)C[C@H](C[NH3+])N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423261691 377178573 /nfs/dbraw/zinc/17/85/73/377178573.db2.gz KMVOAJUJMCVDJI-KBAYOESNSA-N 2 1 289.467 2.470 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423259195 377179389 /nfs/dbraw/zinc/17/93/89/377179389.db2.gz DFGOXIPUCSCLOF-DOMZBBRYSA-N 2 1 250.386 2.203 20 0 CEADMP C[C@H](N[C@@H](C[NH3+])C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423274093 377198505 /nfs/dbraw/zinc/19/85/05/377198505.db2.gz JUJCXAQQKZGASX-QGTPRVQTSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2c(c1)OCCCO2 ZINC000423283003 377209928 /nfs/dbraw/zinc/20/99/28/377209928.db2.gz VPCAKRCRQJTYHB-BXUZGUMPSA-N 2 1 276.380 2.236 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000423283634 377213022 /nfs/dbraw/zinc/21/30/22/377213022.db2.gz XQXHGWKELHFKSM-BXUZGUMPSA-N 2 1 266.360 2.485 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000423290578 377219479 /nfs/dbraw/zinc/21/94/79/377219479.db2.gz DOXJIJQQCBIKKC-JQFCIGGWSA-N 2 1 273.424 2.423 20 0 CEADMP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000423290578 377219489 /nfs/dbraw/zinc/21/94/89/377219489.db2.gz DOXJIJQQCBIKKC-JQFCIGGWSA-N 2 1 273.424 2.423 20 0 CEADMP C[C@H]([NH3+])c1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000423290578 377219496 /nfs/dbraw/zinc/21/94/96/377219496.db2.gz DOXJIJQQCBIKKC-JQFCIGGWSA-N 2 1 273.424 2.423 20 0 CEADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc2c(c1)OCCCO2 ZINC000423337379 377267547 /nfs/dbraw/zinc/26/75/47/377267547.db2.gz YGOWVEXVWDNXMJ-SMDDNHRTSA-N 2 1 276.380 2.236 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000423293607 377223306 /nfs/dbraw/zinc/22/33/06/377223306.db2.gz AHEBMIFWJPSHAR-JSGCOSHPSA-N 2 1 265.401 2.128 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000423299643 377229367 /nfs/dbraw/zinc/22/93/67/377229367.db2.gz QHYDBDWEHMVQIF-OLZOCXBDSA-N 3 1 272.396 2.426 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000423303708 377233378 /nfs/dbraw/zinc/23/33/78/377233378.db2.gz JHAWWLOEUKNUDG-ZJUUUORDSA-N 2 1 253.415 2.267 20 0 CEADMP C[C@H](C[NH3+])CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423311169 377240197 /nfs/dbraw/zinc/24/01/97/377240197.db2.gz SUBQTSUEHGNNQT-DDBAPUKQSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423311169 377240207 /nfs/dbraw/zinc/24/02/07/377240207.db2.gz SUBQTSUEHGNNQT-DDBAPUKQSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423311169 377240215 /nfs/dbraw/zinc/24/02/15/377240215.db2.gz SUBQTSUEHGNNQT-DDBAPUKQSA-N 3 1 287.451 2.366 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])c(C)c1OC ZINC000423337756 377268651 /nfs/dbraw/zinc/26/86/51/377268651.db2.gz VMMWAQPCFNFISM-KOLCDFICSA-N 2 1 252.358 2.010 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423325784 377257966 /nfs/dbraw/zinc/25/79/66/377257966.db2.gz LRTDWWBYUSMQLI-NSHDSACASA-N 2 1 287.407 2.448 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H](NCC3C[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423333316 377263130 /nfs/dbraw/zinc/26/31/30/377263130.db2.gz VUTIQUHHWHCAIA-CEXWTWQISA-N 2 1 299.462 2.239 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3C[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423333316 377263141 /nfs/dbraw/zinc/26/31/41/377263141.db2.gz VUTIQUHHWHCAIA-CEXWTWQISA-N 3 1 299.462 2.239 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3C[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423333316 377263145 /nfs/dbraw/zinc/26/31/45/377263145.db2.gz VUTIQUHHWHCAIA-CEXWTWQISA-N 3 1 299.462 2.239 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](N3CC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000563980706 377333748 /nfs/dbraw/zinc/33/37/48/377333748.db2.gz PFJUBGRWCPMMNK-RBUKOAKNSA-N 2 1 299.462 2.431 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2cnn(C)c2)s1 ZINC000564667172 377428284 /nfs/dbraw/zinc/42/82/84/377428284.db2.gz SJEAEWBMYCMTEQ-DGCLKSJQSA-N 2 1 290.436 2.460 20 0 CEADMP Cc1cccc2c1cc[nH+]c2NC[C@](C)(O)C[NH+](C)C ZINC000564892464 377491144 /nfs/dbraw/zinc/49/11/44/377491144.db2.gz YALUAUZFWRRIKJ-INIZCTEOSA-N 2 1 273.380 2.268 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430949875 377571481 /nfs/dbraw/zinc/57/14/81/377571481.db2.gz PDOGSJSWPYUQMA-RISCZKNCSA-N 2 1 293.386 2.132 20 0 CEADMP Cc1ccsc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000265464716 190184082 /nfs/dbraw/zinc/18/40/82/190184082.db2.gz YLVKQNAHEBPWSK-UHFFFAOYSA-N 2 1 281.469 2.126 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000430958269 377576069 /nfs/dbraw/zinc/57/60/69/377576069.db2.gz XDFAFGCWDFMMLN-KRWDZBQOSA-N 2 1 276.424 2.177 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H](O)CN(C)CC ZINC000565157498 377576217 /nfs/dbraw/zinc/57/62/17/377576217.db2.gz NHLVGCNTMHSFLE-RBSFLKMASA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000565157498 377576223 /nfs/dbraw/zinc/57/62/23/377576223.db2.gz NHLVGCNTMHSFLE-RBSFLKMASA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000565157498 377576227 /nfs/dbraw/zinc/57/62/27/377576227.db2.gz NHLVGCNTMHSFLE-RBSFLKMASA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000565157498 377576230 /nfs/dbraw/zinc/57/62/30/377576230.db2.gz NHLVGCNTMHSFLE-RBSFLKMASA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000565157498 377576235 /nfs/dbraw/zinc/57/62/35/377576235.db2.gz NHLVGCNTMHSFLE-RBSFLKMASA-N 2 1 256.434 2.200 20 0 CEADMP C[C@@H](CC(=O)Nc1cc[nH+]c(N(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000431006671 377585312 /nfs/dbraw/zinc/58/53/12/377585312.db2.gz ZLLVKHGSIOPOEH-STQMWFEESA-N 2 1 290.411 2.112 20 0 CEADMP CCC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1CC[NH2+]CC1 ZINC000431098229 377600524 /nfs/dbraw/zinc/60/05/24/377600524.db2.gz GEMJUGNARRTOCX-HNNXBMFYSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1CC[NH2+]CC1 ZINC000431098229 377600528 /nfs/dbraw/zinc/60/05/28/377600528.db2.gz GEMJUGNARRTOCX-HNNXBMFYSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000135302375 249317706 /nfs/dbraw/zinc/31/77/06/249317706.db2.gz ODVVXYZHNUMITG-QAPCUYQASA-N 2 1 288.435 2.461 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000566063238 377716054 /nfs/dbraw/zinc/71/60/54/377716054.db2.gz KDUPTVVIOQYCQD-HNNXBMFYSA-N 2 1 265.401 2.112 20 0 CEADMP CC(C)[NH2+]CCCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000566088421 377721365 /nfs/dbraw/zinc/72/13/65/377721365.db2.gz NFJDBEACNNRDMH-FUHWJXTLSA-N 2 1 289.467 2.485 20 0 CEADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000566088421 377721373 /nfs/dbraw/zinc/72/13/73/377721373.db2.gz NFJDBEACNNRDMH-FUHWJXTLSA-N 2 1 289.467 2.485 20 0 CEADMP COC[C@@H](CC(C)C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432409611 377756789 /nfs/dbraw/zinc/75/67/89/377756789.db2.gz HJKICRUXAQZXQH-HZPDHXFCSA-N 2 1 286.460 2.138 20 0 CEADMP C[C@@H]([NH3+])C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000442665100 377978785 /nfs/dbraw/zinc/97/87/85/377978785.db2.gz NZKOFOLTYGBHCF-CZUORRHYSA-N 2 1 262.397 2.096 20 0 CEADMP C[C@@H]([NH3+])C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000442665100 377978788 /nfs/dbraw/zinc/97/87/88/377978788.db2.gz NZKOFOLTYGBHCF-CZUORRHYSA-N 2 1 262.397 2.096 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC000442678154 377979918 /nfs/dbraw/zinc/97/99/18/377979918.db2.gz KFLLBEMLMFGKJF-QGZVFWFLSA-N 2 1 291.439 2.323 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000442918360 378017760 /nfs/dbraw/zinc/01/77/60/378017760.db2.gz GTFZQTYFGGHWGR-CYBMUJFWSA-N 2 1 285.395 2.033 20 0 CEADMP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057616 378031594 /nfs/dbraw/zinc/03/15/94/378031594.db2.gz HJKWIYJXBZHZJR-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP CCc1cc(NCC[N@@H+]2CCOC[C@H]2C)c2ccccc2[nH+]1 ZINC000443671900 378069924 /nfs/dbraw/zinc/06/99/24/378069924.db2.gz DXTIONYYEVKBPX-CQSZACIVSA-N 2 1 299.418 2.352 20 0 CEADMP CCc1cc(NCC[N@H+]2CCOC[C@H]2C)c2ccccc2[nH+]1 ZINC000443671900 378069926 /nfs/dbraw/zinc/06/99/26/378069926.db2.gz DXTIONYYEVKBPX-CQSZACIVSA-N 2 1 299.418 2.352 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447558311 378117838 /nfs/dbraw/zinc/11/78/38/378117838.db2.gz NKMNCNJSVUQRIH-JKIFEVAISA-N 3 1 279.472 2.179 20 0 CEADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447558311 378117843 /nfs/dbraw/zinc/11/78/43/378117843.db2.gz NKMNCNJSVUQRIH-JKIFEVAISA-N 2 1 279.472 2.179 20 0 CEADMP C[C@H]1C[C@@H](NCC[NH+]2CCCC2(C)C)C[N@H+]1C1CC1 ZINC000449783582 378233075 /nfs/dbraw/zinc/23/30/75/378233075.db2.gz QCPITFCVRFVDSX-UONOGXRCSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]1C[C@@H](NCC[N@@H+]2CCCC2(C)C)C[NH+]1C1CC1 ZINC000449783582 378233080 /nfs/dbraw/zinc/23/30/80/378233080.db2.gz QCPITFCVRFVDSX-UONOGXRCSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]1C[C@@H](NCC[N@H+]2CCCC2(C)C)C[NH+]1C1CC1 ZINC000449783582 378233084 /nfs/dbraw/zinc/23/30/84/378233084.db2.gz QCPITFCVRFVDSX-UONOGXRCSA-N 2 1 265.445 2.076 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccsc1 ZINC000295792457 378305442 /nfs/dbraw/zinc/30/54/42/378305442.db2.gz BQCCYMHPKSXUIF-KBPBESRZSA-N 2 1 268.426 2.246 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000295822747 378318675 /nfs/dbraw/zinc/31/86/75/378318675.db2.gz BYRCGVITTICSKM-QMCVQRASSA-N 2 1 274.408 2.010 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000295822747 378318677 /nfs/dbraw/zinc/31/86/77/378318677.db2.gz BYRCGVITTICSKM-QMCVQRASSA-N 2 1 274.408 2.010 20 0 CEADMP CCc1cc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc[nH+]1 ZINC000450264022 378332823 /nfs/dbraw/zinc/33/28/23/378332823.db2.gz YLFPVUJJQJMFDI-AWEZNQCLSA-N 2 1 289.423 2.334 20 0 CEADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC2CC(F)(F)C2)CC1 ZINC000450362485 378376032 /nfs/dbraw/zinc/37/60/32/378376032.db2.gz GFCURRFJLQZYOL-LBPRGKRZSA-N 2 1 290.398 2.056 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)[NH2+]C3CC3)c2C1 ZINC000295983892 378381233 /nfs/dbraw/zinc/38/12/33/378381233.db2.gz JSTRJPSROTWPOG-GFCCVEGCSA-N 2 1 287.407 2.491 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)[NH2+]C3CC3)c2C1 ZINC000295983892 378381239 /nfs/dbraw/zinc/38/12/39/378381239.db2.gz JSTRJPSROTWPOG-GFCCVEGCSA-N 2 1 287.407 2.491 20 0 CEADMP Cc1ccc2[nH+]ccc(NC[C@@H]3CCC[N@H+]3CCCO)c2c1 ZINC000450599250 378492635 /nfs/dbraw/zinc/49/26/35/378492635.db2.gz SJZOVGXCLMQNNX-HNNXBMFYSA-N 2 1 299.418 2.224 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000346843903 218033516 /nfs/dbraw/zinc/03/35/16/218033516.db2.gz XZWKRDUYAOAVIP-QCPWZWHMSA-N 2 1 274.408 2.468 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346851356 218036350 /nfs/dbraw/zinc/03/63/50/218036350.db2.gz JGCGPYBYFAIIKZ-GUTXKFCHSA-N 2 1 290.455 2.104 20 0 CEADMP COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)CC(C)(C)[NH3+] ZINC000346853528 218037339 /nfs/dbraw/zinc/03/73/39/218037339.db2.gz SVQOWLMVCUYIFV-ZDUSSCGKSA-N 2 1 278.396 2.035 20 0 CEADMP COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)CC(C)(C)[NH3+] ZINC000346853528 218037342 /nfs/dbraw/zinc/03/73/42/218037342.db2.gz SVQOWLMVCUYIFV-ZDUSSCGKSA-N 2 1 278.396 2.035 20 0 CEADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000346860162 218039770 /nfs/dbraw/zinc/03/97/70/218039770.db2.gz IVEFWECWCBQROF-TUVASFSCSA-N 2 1 254.418 2.264 20 0 CEADMP CCc1cnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000346858698 218039887 /nfs/dbraw/zinc/03/98/87/218039887.db2.gz YHXNLWIILVJGTE-CYZMBNFOSA-N 2 1 265.426 2.265 20 0 CEADMP CCc1cnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000346858698 218039889 /nfs/dbraw/zinc/03/98/89/218039889.db2.gz YHXNLWIILVJGTE-CYZMBNFOSA-N 2 1 265.426 2.265 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000453321397 378863165 /nfs/dbraw/zinc/86/31/65/378863165.db2.gz PVBLTYBPWNJDDQ-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC000453445527 378906246 /nfs/dbraw/zinc/90/62/46/378906246.db2.gz OVFRAZPOTFNDCO-JQHSSLGASA-N 2 1 290.451 2.137 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1C ZINC000453445527 378906254 /nfs/dbraw/zinc/90/62/54/378906254.db2.gz OVFRAZPOTFNDCO-JQHSSLGASA-N 2 1 290.451 2.137 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)nc1 ZINC000453424850 378901522 /nfs/dbraw/zinc/90/15/22/378901522.db2.gz MYSGJCBPGGLQFP-OFQRWUPVSA-N 2 1 261.413 2.251 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1C ZINC000453445530 378906761 /nfs/dbraw/zinc/90/67/61/378906761.db2.gz OVFRAZPOTFNDCO-KBAYOESNSA-N 2 1 290.451 2.137 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1C ZINC000453445530 378906765 /nfs/dbraw/zinc/90/67/65/378906765.db2.gz OVFRAZPOTFNDCO-KBAYOESNSA-N 2 1 290.451 2.137 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000453373163 378877445 /nfs/dbraw/zinc/87/74/45/378877445.db2.gz WULZXWKJYLIAOL-XQLPTFJDSA-N 2 1 276.428 2.426 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000453373163 378877451 /nfs/dbraw/zinc/87/74/51/378877451.db2.gz WULZXWKJYLIAOL-XQLPTFJDSA-N 2 1 276.428 2.426 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000347009060 218091785 /nfs/dbraw/zinc/09/17/85/218091785.db2.gz FMXHFSRWLWPNHJ-HNNXBMFYSA-N 2 1 288.439 2.113 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000347009060 218091786 /nfs/dbraw/zinc/09/17/86/218091786.db2.gz FMXHFSRWLWPNHJ-HNNXBMFYSA-N 2 1 288.439 2.113 20 0 CEADMP CC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346977900 218075459 /nfs/dbraw/zinc/07/54/59/218075459.db2.gz NFQIUDDVIGVLMV-IAGOWNOFSA-N 2 1 276.424 2.259 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1ccc([S@@](C)=O)cc1)C1CC1 ZINC000453593668 378916550 /nfs/dbraw/zinc/91/65/50/378916550.db2.gz HDJRCNAWMVFJQN-HXUWFJFHSA-N 2 1 294.464 2.388 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000346996977 218085551 /nfs/dbraw/zinc/08/55/51/218085551.db2.gz XXXYCBLBCWGOFO-HZSPNIEDSA-N 2 1 254.443 2.346 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000346996977 218085553 /nfs/dbraw/zinc/08/55/53/218085553.db2.gz XXXYCBLBCWGOFO-HZSPNIEDSA-N 2 1 254.443 2.346 20 0 CEADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000347000322 218086511 /nfs/dbraw/zinc/08/65/11/218086511.db2.gz GDMXGCNDPLIQPY-OAHLLOKOSA-N 2 1 262.397 2.262 20 0 CEADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(F)nc2C)CC1 ZINC000278565962 194046589 /nfs/dbraw/zinc/04/65/89/194046589.db2.gz WTXAEZOJOKRNET-UHFFFAOYSA-N 2 1 295.402 2.120 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347017529 218092745 /nfs/dbraw/zinc/09/27/45/218092745.db2.gz DSHYVQWSVPNKBJ-AWEZNQCLSA-N 2 1 278.444 2.426 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347017529 218092747 /nfs/dbraw/zinc/09/27/47/218092747.db2.gz DSHYVQWSVPNKBJ-AWEZNQCLSA-N 2 1 278.444 2.426 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1OC(C)C ZINC000347023911 218096527 /nfs/dbraw/zinc/09/65/27/218096527.db2.gz QOMIZIQVRYDLPH-AWEZNQCLSA-N 2 1 278.396 2.263 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1OC(C)C ZINC000347023911 218096529 /nfs/dbraw/zinc/09/65/29/218096529.db2.gz QOMIZIQVRYDLPH-AWEZNQCLSA-N 2 1 278.396 2.263 20 0 CEADMP Cn1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(-c2cccs2)n1 ZINC000347105770 218123460 /nfs/dbraw/zinc/12/34/60/218123460.db2.gz NGUJEGQGGOTEPJ-GFCCVEGCSA-N 2 1 290.436 2.319 20 0 CEADMP Cn1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(-c2cccs2)n1 ZINC000347105770 218123463 /nfs/dbraw/zinc/12/34/63/218123463.db2.gz NGUJEGQGGOTEPJ-GFCCVEGCSA-N 2 1 290.436 2.319 20 0 CEADMP CC(C)Cn1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000347109230 218124175 /nfs/dbraw/zinc/12/41/75/218124175.db2.gz MUVBECVGRLJKHA-HIFRSBDPSA-N 2 1 264.417 2.098 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000347109230 218124177 /nfs/dbraw/zinc/12/41/77/218124177.db2.gz MUVBECVGRLJKHA-HIFRSBDPSA-N 2 1 264.417 2.098 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2csc(C)n2)[C@@H](C)C1 ZINC000347121181 218129383 /nfs/dbraw/zinc/12/93/83/218129383.db2.gz CQHOSEIWFWGODZ-SMDDNHRTSA-N 2 1 267.442 2.314 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000347233524 218164538 /nfs/dbraw/zinc/16/45/38/218164538.db2.gz YWXGFJYTPJJKOT-TZMCWYRMSA-N 2 1 285.395 2.031 20 0 CEADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000347338827 218194555 /nfs/dbraw/zinc/19/45/55/218194555.db2.gz BVLDSRFKLDHCSW-OWCLPIDISA-N 2 1 265.445 2.029 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000180174710 542261426 /nfs/dbraw/zinc/26/14/26/542261426.db2.gz KGMKSCGABUSFKI-CHWSQXEVSA-N 2 1 264.417 2.491 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2c[nH]nc2C)C1 ZINC000180206747 542262163 /nfs/dbraw/zinc/26/21/63/542262163.db2.gz FEAICUCLMXRANZ-WCQYABFASA-N 2 1 250.390 2.101 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2c[nH]nc2C)C1 ZINC000180206747 542262165 /nfs/dbraw/zinc/26/21/65/542262165.db2.gz FEAICUCLMXRANZ-WCQYABFASA-N 2 1 250.390 2.101 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000514612780 379133319 /nfs/dbraw/zinc/13/33/19/379133319.db2.gz YAJXNBBYJFFFSE-LSDHHAIUSA-N 2 1 277.412 2.101 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000514612780 379133323 /nfs/dbraw/zinc/13/33/23/379133323.db2.gz YAJXNBBYJFFFSE-LSDHHAIUSA-N 2 1 277.412 2.101 20 0 CEADMP CCC[NH+](CCC)CCCNCc1c[nH+]c(C)n1C ZINC000514873746 379159109 /nfs/dbraw/zinc/15/91/09/379159109.db2.gz RNIJSWFWKCZVQF-UHFFFAOYSA-N 2 1 266.433 2.330 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cn[nH]c2C)CC1 ZINC000180642432 542265775 /nfs/dbraw/zinc/26/57/75/542265775.db2.gz JXIPWQNIRONSNH-LBPRGKRZSA-N 2 1 264.417 2.491 20 0 CEADMP C(C[C@H]1CCCCO1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300418131 379171632 /nfs/dbraw/zinc/17/16/32/379171632.db2.gz HNDBLNFAACPEBE-QLFBSQMISA-N 2 1 252.402 2.162 20 0 CEADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000515196939 379193895 /nfs/dbraw/zinc/19/38/95/379193895.db2.gz FQVORACTYILFKT-CZUORRHYSA-N 2 1 273.380 2.328 20 0 CEADMP COc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1C ZINC000278840426 194177885 /nfs/dbraw/zinc/17/78/85/194177885.db2.gz JXCOQIBGUQUMHH-UHFFFAOYSA-N 2 1 260.381 2.355 20 0 CEADMP Cc1[nH+]ccn1CCCCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347543627 218267532 /nfs/dbraw/zinc/26/75/32/218267532.db2.gz YKWQIGPDQCBDPY-UHFFFAOYSA-N 2 1 298.390 2.005 20 0 CEADMP Cc1nccn1CC[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278861738 194187020 /nfs/dbraw/zinc/18/70/20/194187020.db2.gz SATSGAWSOUWQRN-NSHDSACASA-N 2 1 261.291 2.466 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278861738 194187025 /nfs/dbraw/zinc/18/70/25/194187025.db2.gz SATSGAWSOUWQRN-NSHDSACASA-N 2 1 261.291 2.466 20 0 CEADMP C[NH+](C)[C@H](C(=O)NCc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000515486275 379223623 /nfs/dbraw/zinc/22/36/23/379223623.db2.gz KAZXXJVFGLJNNC-KRWDZBQOSA-N 2 1 297.402 2.064 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000518607726 379396016 /nfs/dbraw/zinc/39/60/16/379396016.db2.gz MBBYKFGORWTHHO-AEFFLSMTSA-N 2 1 299.418 2.202 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000518607726 379396022 /nfs/dbraw/zinc/39/60/22/379396022.db2.gz MBBYKFGORWTHHO-AEFFLSMTSA-N 2 1 299.418 2.202 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000521266906 379525609 /nfs/dbraw/zinc/52/56/09/379525609.db2.gz IZEPAFYVNUOIPF-DOTOQJQBSA-N 2 1 278.440 2.170 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000521266906 379525616 /nfs/dbraw/zinc/52/56/16/379525616.db2.gz IZEPAFYVNUOIPF-DOTOQJQBSA-N 2 1 278.440 2.170 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000521266906 379525622 /nfs/dbraw/zinc/52/56/22/379525622.db2.gz IZEPAFYVNUOIPF-DOTOQJQBSA-N 2 1 278.440 2.170 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000521266906 379525627 /nfs/dbraw/zinc/52/56/27/379525627.db2.gz IZEPAFYVNUOIPF-DOTOQJQBSA-N 2 1 278.440 2.170 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000305142773 379658279 /nfs/dbraw/zinc/65/82/79/379658279.db2.gz QRSBWNQFPPWNAN-ZQDZILKHSA-N 2 1 256.434 2.103 20 0 CEADMP CCOc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1F ZINC000267199971 190310790 /nfs/dbraw/zinc/31/07/90/190310790.db2.gz FQYPFWJIJQWZPS-UHFFFAOYSA-N 2 1 266.360 2.408 20 0 CEADMP C[C@H](C(=O)NCCCC[NH+](C)C1CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000457212115 379714541 /nfs/dbraw/zinc/71/45/41/379714541.db2.gz XEBRQINKUQKZJH-QLFBSQMISA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H](C(=O)NCCCC[N@H+](C)C1CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000457212115 379714548 /nfs/dbraw/zinc/71/45/48/379714548.db2.gz XEBRQINKUQKZJH-QLFBSQMISA-N 2 1 295.471 2.238 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CCN(c2cc(C)cc[nH+]2)C1 ZINC000347735858 218338213 /nfs/dbraw/zinc/33/82/13/218338213.db2.gz JEAYDZWEZSCCKH-OAHLLOKOSA-N 2 1 277.412 2.327 20 0 CEADMP CC(C)(CO)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305355288 379709976 /nfs/dbraw/zinc/70/99/76/379709976.db2.gz RUSHSDJCUWLPJB-KGLIPLIRSA-N 2 1 254.418 2.002 20 0 CEADMP C[NH+](C)C1CCN(CCNc2cc[nH+]cc2Cl)CC1 ZINC000267399560 190327604 /nfs/dbraw/zinc/32/76/04/190327604.db2.gz PCEIANHENLBDPI-UHFFFAOYSA-N 2 1 282.819 2.173 20 0 CEADMP C[C@@H]1C[C@@H](N(C)Cc2ncc(C[NH+](C)C)s2)CC[N@@H+]1C ZINC000347888567 218390613 /nfs/dbraw/zinc/39/06/13/218390613.db2.gz WEMYYSLTEXLAPV-OLZOCXBDSA-N 2 1 296.484 2.119 20 0 CEADMP C[C@@H]1C[C@@H](N(C)Cc2ncc(C[NH+](C)C)s2)CC[N@H+]1C ZINC000347888567 218390615 /nfs/dbraw/zinc/39/06/15/218390615.db2.gz WEMYYSLTEXLAPV-OLZOCXBDSA-N 2 1 296.484 2.119 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CS[C@@H](C(C)C)C2)C1 ZINC000488457799 380097063 /nfs/dbraw/zinc/09/70/63/380097063.db2.gz HVZYNIHWTWFSLQ-MGPQQGTHSA-N 2 1 256.459 2.448 20 0 CEADMP Cc1ccc2ncc(CN3CC[N@@H+](C)[C@H](C(C)C)C3)n2c1 ZINC000488509567 380105991 /nfs/dbraw/zinc/10/59/91/380105991.db2.gz AMBQPHVJXBTGEP-INIZCTEOSA-N 2 1 286.423 2.415 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccnc(C)c2)C[C@@H]1C ZINC000334381989 380332696 /nfs/dbraw/zinc/33/26/96/380332696.db2.gz KBNJMDILIBFEKH-DZGCQCFKSA-N 2 1 290.411 2.148 20 0 CEADMP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000548063968 380481348 /nfs/dbraw/zinc/48/13/48/380481348.db2.gz UCJIDDFZQQRISL-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000548063968 380481351 /nfs/dbraw/zinc/48/13/51/380481351.db2.gz UCJIDDFZQQRISL-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000548063968 380481355 /nfs/dbraw/zinc/48/13/55/380481355.db2.gz UCJIDDFZQQRISL-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CN1CCC[C@H]2C[N@@H+](CC3CCC(=O)CC3)CC[C@@H]21 ZINC000334576452 380626003 /nfs/dbraw/zinc/62/60/03/380626003.db2.gz LALIZYKOKQLGTA-HOCLYGCPSA-N 2 1 264.413 2.162 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](CC3CCC(=O)CC3)CC[C@@H]21 ZINC000334576452 380626011 /nfs/dbraw/zinc/62/60/11/380626011.db2.gz LALIZYKOKQLGTA-HOCLYGCPSA-N 2 1 264.413 2.162 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CC3CCC(=O)CC3)CC[C@@H]21 ZINC000334576452 380626016 /nfs/dbraw/zinc/62/60/16/380626016.db2.gz LALIZYKOKQLGTA-HOCLYGCPSA-N 2 1 264.413 2.162 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CC3CCC(=O)CC3)CC[C@@H]21 ZINC000334576452 380626022 /nfs/dbraw/zinc/62/60/22/380626022.db2.gz LALIZYKOKQLGTA-HOCLYGCPSA-N 2 1 264.413 2.162 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3CCC(=O)CC3)CC[C@@H]21 ZINC000334576452 380626028 /nfs/dbraw/zinc/62/60/28/380626028.db2.gz LALIZYKOKQLGTA-HOCLYGCPSA-N 2 1 264.413 2.162 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000492874759 380716409 /nfs/dbraw/zinc/71/64/09/380716409.db2.gz QFEOOZSOGYTLAH-KFWWJZLASA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H]1CC[N@@H+](CC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000552996734 380720413 /nfs/dbraw/zinc/72/04/13/380720413.db2.gz FFAOGOKVCSUVHP-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CC[NH+](CC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000552996734 380720414 /nfs/dbraw/zinc/72/04/14/380720414.db2.gz FFAOGOKVCSUVHP-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](C)C1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000182237593 542280457 /nfs/dbraw/zinc/28/04/57/542280457.db2.gz UNWSXMOJQAGAMC-KRWDZBQOSA-N 2 1 276.424 2.006 20 0 CEADMP Cc1cccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000335250562 208028145 /nfs/dbraw/zinc/02/81/45/208028145.db2.gz BOIVILVLAHQRHJ-INIZCTEOSA-N 2 1 274.408 2.182 20 0 CEADMP Clc1cnc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000335258080 208045061 /nfs/dbraw/zinc/04/50/61/208045061.db2.gz RJMYVKDJCZISEG-AOOOYVTPSA-N 2 1 271.817 2.228 20 0 CEADMP Clc1cnc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000335258080 208045067 /nfs/dbraw/zinc/04/50/67/208045067.db2.gz RJMYVKDJCZISEG-AOOOYVTPSA-N 2 1 271.817 2.228 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000335270617 208069728 /nfs/dbraw/zinc/06/97/28/208069728.db2.gz PBIJMKZQZLEENR-BETUJISGSA-N 2 1 250.411 2.488 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CCc1cccnc1)CC[NH2+]CC2 ZINC000335275376 208081305 /nfs/dbraw/zinc/08/13/05/208081305.db2.gz BGKRXIZYSLGBHE-AWEZNQCLSA-N 2 1 259.397 2.088 20 0 CEADMP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCCC[C@H]1C ZINC000351637910 285081400 /nfs/dbraw/zinc/08/14/00/285081400.db2.gz WLFOXVWMMUINAY-BMFZPTHFSA-N 2 1 268.445 2.342 20 0 CEADMP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCCC[C@H]1C ZINC000351637910 285081402 /nfs/dbraw/zinc/08/14/02/285081402.db2.gz WLFOXVWMMUINAY-BMFZPTHFSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCCC[C@H]1C ZINC000351637910 285081404 /nfs/dbraw/zinc/08/14/04/285081404.db2.gz WLFOXVWMMUINAY-BMFZPTHFSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCCC[C@H]1C ZINC000351637910 285081405 /nfs/dbraw/zinc/08/14/05/285081405.db2.gz WLFOXVWMMUINAY-BMFZPTHFSA-N 2 1 268.445 2.342 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cs1 ZINC000335352736 208258155 /nfs/dbraw/zinc/25/81/55/208258155.db2.gz ZQWOPZSGYVPEPG-ZDUSSCGKSA-N 2 1 265.426 2.273 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000350260509 219002869 /nfs/dbraw/zinc/00/28/69/219002869.db2.gz WNBYYWWEACPTQM-QGZVFWFLSA-N 2 1 291.439 2.057 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCCc2cccc(C)n2)CC1 ZINC000353882985 220387480 /nfs/dbraw/zinc/38/74/80/220387480.db2.gz SEXVLYDTUVISAV-UHFFFAOYSA-N 2 1 291.439 2.023 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(CO)cc1 ZINC000281379791 195217720 /nfs/dbraw/zinc/21/77/20/195217720.db2.gz PBQWJIVAHWGWJE-UHFFFAOYSA-N 2 1 262.397 2.097 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(CO)cc1 ZINC000281379791 195217722 /nfs/dbraw/zinc/21/77/22/195217722.db2.gz PBQWJIVAHWGWJE-UHFFFAOYSA-N 2 1 262.397 2.097 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)[C@H]2CCCN(C(C)C)C2=O)[C@H](C)C1 ZINC000245586820 285398526 /nfs/dbraw/zinc/39/85/26/285398526.db2.gz FCUQDKRJMIHLAQ-PMPSAXMXSA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)[C@H]2CCCN(C(C)C)C2=O)[C@H](C)C1 ZINC000245586820 285398527 /nfs/dbraw/zinc/39/85/27/285398527.db2.gz FCUQDKRJMIHLAQ-PMPSAXMXSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)[C@H]2CCCN(C(C)C)C2=O)[C@H](C)C1 ZINC000245586820 285398529 /nfs/dbraw/zinc/39/85/29/285398529.db2.gz FCUQDKRJMIHLAQ-PMPSAXMXSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)[C@H]2CCCN(C(C)C)C2=O)[C@H](C)C1 ZINC000245586820 285398530 /nfs/dbraw/zinc/39/85/30/285398530.db2.gz FCUQDKRJMIHLAQ-PMPSAXMXSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@@H]([NH2+]C1CC1)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000414493619 533335985 /nfs/dbraw/zinc/33/59/85/533335985.db2.gz YJGPYCMLPXWPBD-SECBINFHSA-N 2 1 258.325 2.008 20 0 CEADMP C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000400428435 533404632 /nfs/dbraw/zinc/40/46/32/533404632.db2.gz ZXSQMQLVKHVWRL-YGRLFVJLSA-N 2 1 254.324 2.237 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+]C2CC[NH+](C)CC2)cn1 ZINC000190699923 130137263 /nfs/dbraw/zinc/13/72/63/130137263.db2.gz YMPMHOLXZLHXQQ-UHFFFAOYSA-N 2 1 276.428 2.110 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(O)c1 ZINC000237375447 131025930 /nfs/dbraw/zinc/02/59/30/131025930.db2.gz XNOTXLHNHXSPPR-LBPRGKRZSA-N 2 1 259.353 2.323 20 0 CEADMP c1ccc2c(c1)SCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000335029433 285523254 /nfs/dbraw/zinc/52/32/54/285523254.db2.gz KPNJJVKOIQPVMW-TZMCWYRMSA-N 2 1 278.421 2.192 20 0 CEADMP C[N@H+](C[C@@H]1CCC2(CCCC2)O1)[C@H](C[NH3+])C1CC1 ZINC000299988166 394452915 /nfs/dbraw/zinc/45/29/15/394452915.db2.gz JOGAJPIOYBNUCI-UONOGXRCSA-N 2 1 252.402 2.147 20 0 CEADMP C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)[C@H](C[NH3+])C1CC1 ZINC000299988166 394452919 /nfs/dbraw/zinc/45/29/19/394452919.db2.gz JOGAJPIOYBNUCI-UONOGXRCSA-N 2 1 252.402 2.147 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000300408925 394455640 /nfs/dbraw/zinc/45/56/40/394455640.db2.gz RYWPMKUWNYMUOP-ZOBORPQBSA-N 2 1 252.402 2.016 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1(C)C ZINC000300410038 394455661 /nfs/dbraw/zinc/45/56/61/394455661.db2.gz DHWNUXMPSBAYNF-XGFWRYKXSA-N 2 1 254.418 2.118 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000420973330 394459873 /nfs/dbraw/zinc/45/98/73/394459873.db2.gz MZAYZMIUCNWBJM-GJZGRUSLSA-N 2 1 274.408 2.359 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000420973330 394459875 /nfs/dbraw/zinc/45/98/75/394459875.db2.gz MZAYZMIUCNWBJM-GJZGRUSLSA-N 2 1 274.408 2.359 20 0 CEADMP Cn1nnc2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)ccc21 ZINC000355595173 394471462 /nfs/dbraw/zinc/47/14/62/394471462.db2.gz GBTFUCLUCUJRHZ-UHFFFAOYSA-N 2 1 299.422 2.075 20 0 CEADMP CC1CCN(C(=[NH2+])NCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000303258212 394478987 /nfs/dbraw/zinc/47/89/87/394478987.db2.gz KMSLQSOMUCMUIB-AWEZNQCLSA-N 2 1 266.433 2.117 20 0 CEADMP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000355677882 394498667 /nfs/dbraw/zinc/49/86/67/394498667.db2.gz YBAWUVNISABOJC-LVQVYYBASA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(CO)c1 ZINC000305624805 394507846 /nfs/dbraw/zinc/50/78/46/394507846.db2.gz BHGCSUXDXXMBQA-ZFWWWQNUSA-N 2 1 262.397 2.171 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC000251323843 394567139 /nfs/dbraw/zinc/56/71/39/394567139.db2.gz MVTSPZKWYQWRGR-CABCVRRESA-N 2 1 283.460 2.083 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC000251323843 394567142 /nfs/dbraw/zinc/56/71/42/394567142.db2.gz MVTSPZKWYQWRGR-CABCVRRESA-N 2 1 283.460 2.083 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248161101 394537296 /nfs/dbraw/zinc/53/72/96/394537296.db2.gz SDCQHGZIJNNHHT-SOUVJXGZSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248161101 394537301 /nfs/dbraw/zinc/53/73/01/394537301.db2.gz SDCQHGZIJNNHHT-SOUVJXGZSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248161101 394537307 /nfs/dbraw/zinc/53/73/07/394537307.db2.gz SDCQHGZIJNNHHT-SOUVJXGZSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248161101 394537310 /nfs/dbraw/zinc/53/73/10/394537310.db2.gz SDCQHGZIJNNHHT-SOUVJXGZSA-N 2 1 295.471 2.096 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000093942305 394670575 /nfs/dbraw/zinc/67/05/75/394670575.db2.gz FWTRBMKVWCHVCB-OAHLLOKOSA-N 2 1 293.455 2.372 20 0 CEADMP CC(C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+]1CCCCC1 ZINC000422030503 394659791 /nfs/dbraw/zinc/65/97/91/394659791.db2.gz ZUDJLRMNDQAGDG-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP COCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821089 394663168 /nfs/dbraw/zinc/66/31/68/394663168.db2.gz OJBSBIGVYMCPDK-UHFFFAOYSA-N 2 1 277.412 2.266 20 0 CEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(F)c(F)c1 ZINC000258888725 394598780 /nfs/dbraw/zinc/59/87/80/394598780.db2.gz CKYFSCPLEYLCRB-NSHDSACASA-N 2 1 254.324 2.396 20 0 CEADMP c1cnc2c(c1)CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000421818696 394604643 /nfs/dbraw/zinc/60/46/43/394604643.db2.gz CBLGWPZLOVHFBB-HOCLYGCPSA-N 2 1 285.435 2.403 20 0 CEADMP C[C@]1(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)CC[NH2+]C1 ZINC000088432525 394646039 /nfs/dbraw/zinc/64/60/39/394646039.db2.gz GMUVHHSWFREJIP-QWRGUYRKSA-N 2 1 250.308 2.260 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@H](C(F)(F)F)C2)CC[NH2+]C1 ZINC000088432525 394646042 /nfs/dbraw/zinc/64/60/42/394646042.db2.gz GMUVHHSWFREJIP-QWRGUYRKSA-N 2 1 250.308 2.260 20 0 CEADMP Cc1[nH]nc2ncc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3C)cc12 ZINC000356908316 394649129 /nfs/dbraw/zinc/64/91/29/394649129.db2.gz AEKRFPONZAUCPI-NSHDSACASA-N 2 1 298.394 2.197 20 0 CEADMP CCC[N@@H+](CC1CC[NH2+]CC1)C[C@@H]1CCCCO1 ZINC000094025459 394669979 /nfs/dbraw/zinc/66/99/79/394669979.db2.gz GHYMEZLOBGSDLF-HNNXBMFYSA-N 2 1 254.418 2.267 20 0 CEADMP C[NH+](C)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000422711543 394732856 /nfs/dbraw/zinc/73/28/56/394732856.db2.gz NHQDAQWXAWRXMY-VNQPRFMTSA-N 2 1 279.403 2.145 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422712770 394734061 /nfs/dbraw/zinc/73/40/61/394734061.db2.gz OQLYJLDYSZABBC-HUUCEWRRSA-N 3 1 255.450 2.216 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CCCC[NH3+] ZINC000422726391 394742192 /nfs/dbraw/zinc/74/21/92/394742192.db2.gz DVWPNVMVMBPZNV-HUUCEWRRSA-N 3 1 255.450 2.358 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CCCC[NH3+] ZINC000422726391 394742196 /nfs/dbraw/zinc/74/21/96/394742196.db2.gz DVWPNVMVMBPZNV-HUUCEWRRSA-N 3 1 255.450 2.358 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccnc1 ZINC000422727672 394743274 /nfs/dbraw/zinc/74/32/74/394743274.db2.gz CZKSSWIHZXQXKQ-XJKSGUPXSA-N 2 1 255.365 2.130 20 0 CEADMP CC(C)C[C@H]1COCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359212743 394744084 /nfs/dbraw/zinc/74/40/84/394744084.db2.gz FOBLQIMQEFCVCY-HNNXBMFYSA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000356984911 394672640 /nfs/dbraw/zinc/67/26/40/394672640.db2.gz IKUAYSGCSORLSQ-BZUAXINKSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000356984911 394672641 /nfs/dbraw/zinc/67/26/41/394672641.db2.gz IKUAYSGCSORLSQ-BZUAXINKSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000356984911 394672643 /nfs/dbraw/zinc/67/26/43/394672643.db2.gz IKUAYSGCSORLSQ-BZUAXINKSA-N 2 1 268.445 2.465 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000414057133 394688184 /nfs/dbraw/zinc/68/81/84/394688184.db2.gz FHJOTEGQYRCRGK-HIFRSBDPSA-N 2 1 289.423 2.095 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)[C@H]1C[C@@H]1C ZINC000414083976 394698040 /nfs/dbraw/zinc/69/80/40/394698040.db2.gz XIXITHURPRWGLH-QEJZJMRPSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000422732551 394746101 /nfs/dbraw/zinc/74/61/01/394746101.db2.gz OYVBVCGRTCWYDO-LRDDRELGSA-N 2 1 257.381 2.298 20 0 CEADMP CC1(C)CC(NC(=O)[C@H]2CCC[N@H+]2C2CC2)CC(C)(C)[NH2+]1 ZINC000334637709 394702711 /nfs/dbraw/zinc/70/27/11/394702711.db2.gz GQHPGOAHDMZQAQ-CQSZACIVSA-N 2 1 293.455 2.039 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000414701249 394749564 /nfs/dbraw/zinc/74/95/64/394749564.db2.gz GKBGTVNTPSARFA-KKUMJFAQSA-N 2 1 264.417 2.139 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000414701249 394749569 /nfs/dbraw/zinc/74/95/69/394749569.db2.gz GKBGTVNTPSARFA-KKUMJFAQSA-N 2 1 264.417 2.139 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000414132872 394712417 /nfs/dbraw/zinc/71/24/17/394712417.db2.gz BCUSDSNLVRFEEN-XPABHHOTSA-N 2 1 254.418 2.261 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)n21 ZINC000422563855 394712978 /nfs/dbraw/zinc/71/29/78/394712978.db2.gz UPPTURHHOYJNMS-SNPRPXQTSA-N 2 1 286.423 2.448 20 0 CEADMP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000358344090 394719321 /nfs/dbraw/zinc/71/93/21/394719321.db2.gz JALIAJXGZBQANJ-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)[C@@H](Cn1cccn1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414170565 394721661 /nfs/dbraw/zinc/72/16/61/394721661.db2.gz CABGHHWJJRLUHO-JKSUJKDBSA-N 2 1 278.444 2.229 20 0 CEADMP CC[NH+](CC)Cc1cccc(CN[C@@H](C)C2C[NH2+]C2)c1 ZINC000422692624 394724214 /nfs/dbraw/zinc/72/42/14/394724214.db2.gz KMSRRZPFOPPIDV-AWEZNQCLSA-N 2 1 275.440 2.226 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422703758 394727573 /nfs/dbraw/zinc/72/75/73/394727573.db2.gz ILIXEWAVHWCATQ-LSDHHAIUSA-N 2 1 297.512 2.208 20 0 CEADMP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1F ZINC000422702829 394727699 /nfs/dbraw/zinc/72/76/99/394727699.db2.gz GALJYCNXRWMTDW-SWLSCSKDSA-N 2 1 280.387 2.497 20 0 CEADMP C[C@H](N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C1C[NH2+]C1 ZINC000422741509 394751908 /nfs/dbraw/zinc/75/19/08/394751908.db2.gz OQJWNICMJGVIDR-GRDNDAEWSA-N 2 1 273.424 2.019 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)C1C[NH2+]C1 ZINC000422741509 394751912 /nfs/dbraw/zinc/75/19/12/394751912.db2.gz OQJWNICMJGVIDR-GRDNDAEWSA-N 2 1 273.424 2.019 20 0 CEADMP CC[C@H]([NH2+]CCN1CCc2sccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422741750 394752287 /nfs/dbraw/zinc/75/22/87/394752287.db2.gz QJNHUTXBQVVNMR-GJZGRUSLSA-N 2 1 293.480 2.226 20 0 CEADMP CC1(C)Cc2cccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)c2O1 ZINC000414827421 394755814 /nfs/dbraw/zinc/75/58/14/394755814.db2.gz KRCOMJVQOQUBTM-CYBMUJFWSA-N 2 1 274.408 2.489 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000414830375 394757988 /nfs/dbraw/zinc/75/79/88/394757988.db2.gz CCCAQFMRMCPMLV-GFCCVEGCSA-N 2 1 292.814 2.471 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1ccccc1)[NH+](C)C ZINC000422750531 394758883 /nfs/dbraw/zinc/75/88/83/394758883.db2.gz DEUSEOCDHQYTGJ-PVAVHDDUSA-N 2 1 275.440 2.267 20 0 CEADMP C[NH2+]CC[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000414831993 394760169 /nfs/dbraw/zinc/76/01/69/394760169.db2.gz QMIGDWLZBLOTFG-LLVKDONJSA-N 2 1 272.339 2.418 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000414833069 394760274 /nfs/dbraw/zinc/76/02/74/394760274.db2.gz GBDBGKRKSSIAIV-ZDUSSCGKSA-N 2 1 278.444 2.413 20 0 CEADMP c1nc(C2CCC2)sc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414834534 394761416 /nfs/dbraw/zinc/76/14/16/394761416.db2.gz SNEZFXOHAPSEOC-NSHDSACASA-N 2 1 265.426 2.500 20 0 CEADMP COc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1OC ZINC000414846244 394768197 /nfs/dbraw/zinc/76/81/97/394768197.db2.gz DVFKRGXUHBBEIU-OLZOCXBDSA-N 2 1 278.396 2.182 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc2c1OCCCO2)[C@@H]1CCC[NH2+]C1 ZINC000414848263 394769648 /nfs/dbraw/zinc/76/96/48/394769648.db2.gz GFNMBISSWJVPOZ-ZIAGYGMSSA-N 2 1 290.407 2.326 20 0 CEADMP C[C@@H](C[C@H]1CCCO1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000359673403 394770765 /nfs/dbraw/zinc/77/07/65/394770765.db2.gz ITAVOTNFODGMTF-SWLSCSKDSA-N 2 1 252.402 2.160 20 0 CEADMP Fc1ccc2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CCS2 ZINC000335552584 394774708 /nfs/dbraw/zinc/77/47/08/394774708.db2.gz PJGQLOWNDCTREI-LBPRGKRZSA-N 2 1 252.358 2.172 20 0 CEADMP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414859489 394775021 /nfs/dbraw/zinc/77/50/21/394775021.db2.gz AYGKKYLMUVMGAS-OCCSQVGLSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(Br)cn1)[C@H]1CCC[NH2+]C1 ZINC000414861794 394775661 /nfs/dbraw/zinc/77/56/61/394775661.db2.gz WUFNGWNTOXRTFW-MNOVXSKESA-N 2 1 298.228 2.322 20 0 CEADMP Cc1[nH]nc2ncc(C[NH2+]CC3([NH3+])CCCCCC3)cc12 ZINC000414863637 394776859 /nfs/dbraw/zinc/77/68/59/394776859.db2.gz XYHZHBMUCRAHFB-UHFFFAOYSA-N 2 1 287.411 2.408 20 0 CEADMP CC(C)CCOCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422777826 394777295 /nfs/dbraw/zinc/77/72/95/394777295.db2.gz GGERSJZUJBBRSS-LBPRGKRZSA-N 2 1 251.374 2.207 20 0 CEADMP C[C@@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000359940522 394781474 /nfs/dbraw/zinc/78/14/74/394781474.db2.gz HNFWYCHRTTTZRW-WCVJEAGWSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000359940522 394781477 /nfs/dbraw/zinc/78/14/77/394781477.db2.gz HNFWYCHRTTTZRW-WCVJEAGWSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000359940522 394781480 /nfs/dbraw/zinc/78/14/80/394781480.db2.gz HNFWYCHRTTTZRW-WCVJEAGWSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+]Cc1c(F)cccc1Br ZINC000414878197 394784036 /nfs/dbraw/zinc/78/40/36/394784036.db2.gz OCISZSFDMGPFAE-QMMMGPOBSA-N 2 1 275.165 2.273 20 0 CEADMP COC[C@H](CC(C)C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000360031194 394784486 /nfs/dbraw/zinc/78/44/86/394784486.db2.gz ZKRZNKLOJXAGQN-KGLIPLIRSA-N 2 1 254.418 2.121 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422787191 394786022 /nfs/dbraw/zinc/78/60/22/394786022.db2.gz RHVUHBSTNANXSX-WDEREUQCSA-N 2 1 289.210 2.270 20 0 CEADMP COc1cc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)ccc1C ZINC000422788181 394786174 /nfs/dbraw/zinc/78/61/74/394786174.db2.gz SGDGUHZEVYZILY-HIFRSBDPSA-N 2 1 262.397 2.276 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](N[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000414881970 394786898 /nfs/dbraw/zinc/78/68/98/394786898.db2.gz BFQBXSCFWLPEHR-INDMIFKZSA-N 2 1 299.462 2.239 20 0 CEADMP COCC1(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CCC1 ZINC000361318827 394824200 /nfs/dbraw/zinc/82/42/00/394824200.db2.gz QCUUUEKZFSBPNW-INIZCTEOSA-N 2 1 280.456 2.467 20 0 CEADMP COCC1(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCC1 ZINC000361318827 394824202 /nfs/dbraw/zinc/82/42/02/394824202.db2.gz QCUUUEKZFSBPNW-INIZCTEOSA-N 2 1 280.456 2.467 20 0 CEADMP COCC1(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCC1 ZINC000361318827 394824204 /nfs/dbraw/zinc/82/42/04/394824204.db2.gz QCUUUEKZFSBPNW-INIZCTEOSA-N 2 1 280.456 2.467 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422792095 394788739 /nfs/dbraw/zinc/78/87/39/394788739.db2.gz WYLAYJDSCXVSNI-HZPDHXFCSA-N 3 1 267.461 2.086 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH2+]CCC[NH2+]Cc2cccnc2)CCO1 ZINC000414889671 394790222 /nfs/dbraw/zinc/79/02/22/394790222.db2.gz ZATFNMDMCLNPSJ-DOTOQJQBSA-N 2 1 291.439 2.356 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NCCC[N@@H+](C)Cc1ccccc1 ZINC000422792776 394790453 /nfs/dbraw/zinc/79/04/53/394790453.db2.gz WKXFNUJLRVSTSB-GJZGRUSLSA-N 2 1 263.429 2.224 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000422792776 394790457 /nfs/dbraw/zinc/79/04/57/394790457.db2.gz WKXFNUJLRVSTSB-GJZGRUSLSA-N 3 1 263.429 2.224 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000422792776 394790459 /nfs/dbraw/zinc/79/04/59/394790459.db2.gz WKXFNUJLRVSTSB-GJZGRUSLSA-N 3 1 263.429 2.224 20 0 CEADMP Cc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422794708 394791611 /nfs/dbraw/zinc/79/16/11/394791611.db2.gz URCHDTUUYZDVJH-SOUVJXGZSA-N 2 1 262.397 2.492 20 0 CEADMP COc1cccc(O[C@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422796915 394794010 /nfs/dbraw/zinc/79/40/10/394794010.db2.gz ZJEJNURMDWEPQT-XJKCOSOUSA-N 2 1 278.396 2.193 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H](C)CCC[NH3+])[NH+]1CCC(C)CC1 ZINC000422842236 394824627 /nfs/dbraw/zinc/82/46/27/394824627.db2.gz FLVTUUXSTUUQLD-HZPDHXFCSA-N 3 1 269.477 2.460 20 0 CEADMP COc1ccc2nc(C[NH2+][C@@H](C)CC[NH3+])sc2c1 ZINC000414899280 394794641 /nfs/dbraw/zinc/79/46/41/394794641.db2.gz UPRDDFJKGBZFOX-VIFPVBQESA-N 2 1 265.382 2.132 20 0 CEADMP CCCOc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1OC ZINC000414902444 394796440 /nfs/dbraw/zinc/79/64/40/394796440.db2.gz YHCFLRPWLZKOAN-AWEZNQCLSA-N 2 1 278.396 2.311 20 0 CEADMP C[C@]1(C[NH2+]Cc2cnc3ccc(Cl)cn23)CCC[NH2+]C1 ZINC000414902561 394796731 /nfs/dbraw/zinc/79/67/31/394796731.db2.gz KSCGQWJDXFILGX-HNNXBMFYSA-N 2 1 292.814 2.467 20 0 CEADMP C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1C[NH2+]C1 ZINC000422842341 394824771 /nfs/dbraw/zinc/82/47/71/394824771.db2.gz YFAURSLJIUIZNR-KGLIPLIRSA-N 2 1 293.480 2.158 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)C1C[NH2+]C1 ZINC000422842341 394824777 /nfs/dbraw/zinc/82/47/77/394824777.db2.gz YFAURSLJIUIZNR-KGLIPLIRSA-N 2 1 293.480 2.158 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000414957800 394824884 /nfs/dbraw/zinc/82/48/84/394824884.db2.gz OSOMNEQODCHNDV-WFASDCNBSA-N 2 1 270.380 2.164 20 0 CEADMP c1ccc2c(c1)CC[N@H+](CCCNC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000422805845 394799609 /nfs/dbraw/zinc/79/96/09/394799609.db2.gz JUIXXMMHSPESQP-DFNIBXOVSA-N 2 1 299.462 2.307 20 0 CEADMP c1ccc2c(c1)CCN(CCC[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000422805845 394799615 /nfs/dbraw/zinc/79/96/15/394799615.db2.gz JUIXXMMHSPESQP-DFNIBXOVSA-N 2 1 299.462 2.307 20 0 CEADMP CCN(CC)c1ncc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)s1 ZINC000414911520 394800933 /nfs/dbraw/zinc/80/09/33/394800933.db2.gz UIIYVOYJYHBZNW-OAHLLOKOSA-N 2 1 296.484 2.469 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2csc(C3CC3)n2)C1 ZINC000414911084 394801228 /nfs/dbraw/zinc/80/12/28/394801228.db2.gz DJTYSWRBZIVFBN-MNOVXSKESA-N 2 1 251.399 2.380 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000422818511 394809072 /nfs/dbraw/zinc/80/90/72/394809072.db2.gz GNRIXKKSKKYFDP-UONOGXRCSA-N 3 1 267.461 2.499 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC(C)(C)c3ccccc32)C1 ZINC000360881960 394810167 /nfs/dbraw/zinc/81/01/67/394810167.db2.gz DQEVKFRHGMMMHC-WMZOPIPTSA-N 2 1 288.435 2.455 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC(C)(C)c3ccccc32)C1 ZINC000360881960 394810171 /nfs/dbraw/zinc/81/01/71/394810171.db2.gz DQEVKFRHGMMMHC-WMZOPIPTSA-N 2 1 288.435 2.455 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422820556 394810857 /nfs/dbraw/zinc/81/08/57/394810857.db2.gz RFRMXARZNOCFGV-GOEBONIOSA-N 3 1 267.461 2.085 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422836921 394821494 /nfs/dbraw/zinc/82/14/94/394821494.db2.gz KZCMTIGGRSFQHY-NUEKZKHPSA-N 2 1 293.480 2.430 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC(F)(F)F ZINC000422919718 394863049 /nfs/dbraw/zinc/86/30/49/394863049.db2.gz KETQEHJDZAJBSK-PWSUYJOCSA-N 2 1 260.303 2.487 20 0 CEADMP Cc1ccc(-c2ccc(C[N@H+](C)C[C@H](O)C[NH3+])s2)cc1 ZINC000415048600 394863917 /nfs/dbraw/zinc/86/39/17/394863917.db2.gz CNHWJNVBNYZWML-CQSZACIVSA-N 2 1 290.432 2.475 20 0 CEADMP Cc1ccc(-c2ccc(C[N@@H+](C)C[C@H](O)C[NH3+])s2)cc1 ZINC000415048600 394863919 /nfs/dbraw/zinc/86/39/19/394863919.db2.gz CNHWJNVBNYZWML-CQSZACIVSA-N 2 1 290.432 2.475 20 0 CEADMP C[C@H]([NH2+]C[C@](C)(CO)Cc1ccccc1)c1c[nH+]ccc1N ZINC000423083420 394885985 /nfs/dbraw/zinc/88/59/85/394885985.db2.gz YVZIRFJGMWXIOU-KBXCAEBGSA-N 2 1 299.418 2.386 20 0 CEADMP C[C@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)CC1CCOCC1 ZINC000415052083 394864611 /nfs/dbraw/zinc/86/46/11/394864611.db2.gz HFHSEZXMPUPSDJ-GXTWGEPZSA-N 2 1 256.434 2.402 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000422926831 394864659 /nfs/dbraw/zinc/86/46/59/394864659.db2.gz XPPMTOGEDVRPKU-KCQAQPDRSA-N 2 1 292.423 2.365 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422944660 394867500 /nfs/dbraw/zinc/86/75/00/394867500.db2.gz LUJNVJXQVYXRSE-VXGBXAGGSA-N 2 1 256.296 2.257 20 0 CEADMP C[C@@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@@]1(C)C[NH3+] ZINC000415055960 394867511 /nfs/dbraw/zinc/86/75/11/394867511.db2.gz NOYYFRZQQKZGSA-RDTXWAMCSA-N 2 1 288.435 2.471 20 0 CEADMP CC[N@@H+](CCNC(=O)c1ccccc1C[NH+](C)C)C(C)C ZINC000362762272 394867989 /nfs/dbraw/zinc/86/79/89/394867989.db2.gz HHCLJEPDTFDYKE-UHFFFAOYSA-N 2 1 291.439 2.208 20 0 CEADMP C[C@@H]([NH2+]CCOc1ccc(F)cc1)c1c[nH+]ccc1N ZINC000422947596 394868502 /nfs/dbraw/zinc/86/85/02/394868502.db2.gz YNOIXTDTCKZHEX-LLVKDONJSA-N 2 1 275.327 2.363 20 0 CEADMP [NH3+]C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)C1CCCC1 ZINC000415063467 394870980 /nfs/dbraw/zinc/87/09/80/394870980.db2.gz IEVHVFYLZOVGKA-INIZCTEOSA-N 2 1 288.439 2.158 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)C[C@@H]1C ZINC000415064691 394871302 /nfs/dbraw/zinc/87/13/02/394871302.db2.gz LCNASAHCJVYDFJ-ARLBYUKCSA-N 2 1 296.455 2.461 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000422993571 394877216 /nfs/dbraw/zinc/87/72/16/394877216.db2.gz GBRXJEOELZZRTR-QLFBSQMISA-N 2 1 255.450 2.070 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000422993571 394877219 /nfs/dbraw/zinc/87/72/19/394877219.db2.gz GBRXJEOELZZRTR-QLFBSQMISA-N 3 1 255.450 2.070 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000422993571 394877221 /nfs/dbraw/zinc/87/72/21/394877221.db2.gz GBRXJEOELZZRTR-QLFBSQMISA-N 3 1 255.450 2.070 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH2+]CCOc1ncccc1Cl ZINC000415082287 394880505 /nfs/dbraw/zinc/88/05/05/394880505.db2.gz DCGPPXADRMERSA-LLVKDONJSA-N 2 1 271.792 2.077 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000422847284 394826520 /nfs/dbraw/zinc/82/65/20/394826520.db2.gz RBXSGWMPLUFPKC-HZPDHXFCSA-N 2 1 289.467 2.409 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422852485 394829618 /nfs/dbraw/zinc/82/96/18/394829618.db2.gz AVPWCLLKMWGEGU-RBSFLKMASA-N 3 1 255.450 2.214 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000422852485 394829624 /nfs/dbraw/zinc/82/96/24/394829624.db2.gz AVPWCLLKMWGEGU-RBSFLKMASA-N 3 1 255.450 2.214 20 0 CEADMP CN1CC[NH2+]C[C@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000414968471 394830273 /nfs/dbraw/zinc/83/02/73/394830273.db2.gz CRGNLAQOGWDLIK-ABHNRTSZSA-N 2 1 287.451 2.206 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422855074 394831463 /nfs/dbraw/zinc/83/14/63/394831463.db2.gz DHOCQDDHVRJNFE-QLFBSQMISA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422855074 394831467 /nfs/dbraw/zinc/83/14/67/394831467.db2.gz DHOCQDDHVRJNFE-QLFBSQMISA-N 2 1 253.434 2.110 20 0 CEADMP COc1ccc(C)cc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000414972104 394832843 /nfs/dbraw/zinc/83/28/43/394832843.db2.gz LYZQMQHALXUYLX-OAHLLOKOSA-N 2 1 262.397 2.481 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000414974889 394834078 /nfs/dbraw/zinc/83/40/78/394834078.db2.gz FIMAAHPVXQLRJR-ZDUSSCGKSA-N 2 1 266.385 2.309 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414979403 394834619 /nfs/dbraw/zinc/83/46/19/394834619.db2.gz NYGFFOYMXYEUKI-GDBMZVCRSA-N 2 1 278.396 2.071 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000361804729 394836358 /nfs/dbraw/zinc/83/63/58/394836358.db2.gz OKQNFRWWQHQLGS-RDBSUJKOSA-N 2 1 284.444 2.427 20 0 CEADMP C[C@H](N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422864366 394837306 /nfs/dbraw/zinc/83/73/06/394837306.db2.gz UVJMVWWIYUBBGT-DZKIICNBSA-N 2 1 265.445 2.124 20 0 CEADMP C[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000422866239 394838166 /nfs/dbraw/zinc/83/81/66/394838166.db2.gz PXGQOFZVFTZGJC-FPCVCCKLSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])N1CCC[C@@H](C)C1 ZINC000422866239 394838169 /nfs/dbraw/zinc/83/81/69/394838169.db2.gz PXGQOFZVFTZGJC-FPCVCCKLSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422873426 394842682 /nfs/dbraw/zinc/84/26/82/394842682.db2.gz AFSVUUNRNSYDLK-NCOADZHNSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422873629 394842796 /nfs/dbraw/zinc/84/27/96/394842796.db2.gz AUVGJBNNBKEKMW-RBSFLKMASA-N 3 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@H]1N ZINC000422873629 394842799 /nfs/dbraw/zinc/84/27/99/394842799.db2.gz AUVGJBNNBKEKMW-RBSFLKMASA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H]1N ZINC000422873629 394842800 /nfs/dbraw/zinc/84/28/00/394842800.db2.gz AUVGJBNNBKEKMW-RBSFLKMASA-N 2 1 253.434 2.110 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422877630 394844927 /nfs/dbraw/zinc/84/49/27/394844927.db2.gz IJNQPYNPUPKDOD-YIDVYQOGSA-N 2 1 267.461 2.083 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422880102 394846970 /nfs/dbraw/zinc/84/69/70/394846970.db2.gz LPZWCKDHCORDRT-LSDHHAIUSA-N 3 1 255.450 2.358 20 0 CEADMP Cc1ccc([C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])N2CCCC2)o1 ZINC000422880862 394847117 /nfs/dbraw/zinc/84/71/17/394847117.db2.gz PBZYFAWGZJEDKI-NFAWXSAZSA-N 2 1 279.428 2.440 20 0 CEADMP C[C@@H]1CCNC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422882599 394848236 /nfs/dbraw/zinc/84/82/36/394848236.db2.gz PFJGYOQVXDQJRV-BZUAXINKSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000422882599 394848239 /nfs/dbraw/zinc/84/82/39/394848239.db2.gz PFJGYOQVXDQJRV-BZUAXINKSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422882599 394848241 /nfs/dbraw/zinc/84/82/41/394848241.db2.gz PFJGYOQVXDQJRV-BZUAXINKSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CNCC[C@@H]2C)C1 ZINC000422885318 394849241 /nfs/dbraw/zinc/84/92/41/394849241.db2.gz UECRKNBTCUCSAS-PMPSAXMXSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422885318 394849244 /nfs/dbraw/zinc/84/92/44/394849244.db2.gz UECRKNBTCUCSAS-PMPSAXMXSA-N 3 1 267.461 2.086 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422885318 394849246 /nfs/dbraw/zinc/84/92/46/394849246.db2.gz UECRKNBTCUCSAS-PMPSAXMXSA-N 3 1 267.461 2.086 20 0 CEADMP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000415088293 394883967 /nfs/dbraw/zinc/88/39/67/394883967.db2.gz WGLKVZRHTBGDBV-MELADBBJSA-N 2 1 254.418 2.169 20 0 CEADMP CC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cn2)CC1 ZINC000422890945 394852950 /nfs/dbraw/zinc/85/29/50/394852950.db2.gz JQJJTOUUFFYIOM-JKSUJKDBSA-N 2 1 288.439 2.287 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](C1CCCCC1)N(C)C ZINC000422895433 394853672 /nfs/dbraw/zinc/85/36/72/394853672.db2.gz VZHYXVNEKQJZOB-HYVNUMGLSA-N 2 1 281.488 2.475 20 0 CEADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000422895490 394853870 /nfs/dbraw/zinc/85/38/70/394853870.db2.gz WEOGJHSTTWBKMG-SOUVJXGZSA-N 2 1 263.360 2.231 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000128421514 394854010 /nfs/dbraw/zinc/85/40/10/394854010.db2.gz MVTSPZKWYQWRGR-LSDHHAIUSA-N 2 1 283.460 2.083 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000128421514 394854013 /nfs/dbraw/zinc/85/40/13/394854013.db2.gz MVTSPZKWYQWRGR-LSDHHAIUSA-N 2 1 283.460 2.083 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000422898675 394855794 /nfs/dbraw/zinc/85/57/94/394855794.db2.gz MNZZWGPOPHOMEF-KEYYUXOJSA-N 2 1 291.414 2.240 20 0 CEADMP CN(C)c1ncc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415041553 394860506 /nfs/dbraw/zinc/86/05/06/394860506.db2.gz LMCTTXRCYSOJAW-GXTWGEPZSA-N 2 1 294.468 2.173 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415041553 394860510 /nfs/dbraw/zinc/86/05/10/394860510.db2.gz LMCTTXRCYSOJAW-GXTWGEPZSA-N 2 1 294.468 2.173 20 0 CEADMP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000129217617 394860869 /nfs/dbraw/zinc/86/08/69/394860869.db2.gz PSCRLVUAZGCKAO-OAHLLOKOSA-N 2 1 276.428 2.477 20 0 CEADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000129217617 394860873 /nfs/dbraw/zinc/86/08/73/394860873.db2.gz PSCRLVUAZGCKAO-OAHLLOKOSA-N 2 1 276.428 2.477 20 0 CEADMP C[C@@H]([NH2+]C[C@@](C)(CO)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423109570 394886518 /nfs/dbraw/zinc/88/65/18/394886518.db2.gz NTJXNNZWEWMULO-PVAVHDDUSA-N 2 1 276.424 2.057 20 0 CEADMP C[NH2+]CCCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423208597 394887866 /nfs/dbraw/zinc/88/78/66/394887866.db2.gz ZKAHKZYFLWTGIN-HZPDHXFCSA-N 2 1 261.413 2.021 20 0 CEADMP CCCC(=O)N1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000363879165 394888204 /nfs/dbraw/zinc/88/82/04/394888204.db2.gz MOVWSLPCZZBDOH-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC(=O)N1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000363879165 394888210 /nfs/dbraw/zinc/88/82/10/394888210.db2.gz MOVWSLPCZZBDOH-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC(=O)N1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000363879165 394888215 /nfs/dbraw/zinc/88/82/15/394888215.db2.gz MOVWSLPCZZBDOH-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC(=O)N1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000363879165 394888220 /nfs/dbraw/zinc/88/82/20/394888220.db2.gz MOVWSLPCZZBDOH-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000423270303 394888910 /nfs/dbraw/zinc/88/89/10/394888910.db2.gz HQZBYZXAKMKXMK-ZIAGYGMSSA-N 2 1 272.396 2.378 20 0 CEADMP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(C(=O)OC)cc1 ZINC000423338978 394891375 /nfs/dbraw/zinc/89/13/75/394891375.db2.gz WDGJMPMZTKTSIT-AWEZNQCLSA-N 2 1 276.380 2.395 20 0 CEADMP CC[C@@H](C[N@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000415105131 394891392 /nfs/dbraw/zinc/89/13/92/394891392.db2.gz HXTNMIZJWGWGAD-HOCLYGCPSA-N 2 1 262.397 2.230 20 0 CEADMP C[C@@H](C[N@@H+]1CCCO[C@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000415108320 394892334 /nfs/dbraw/zinc/89/23/34/394892334.db2.gz MEOVFYLDPLEECT-SWLSCSKDSA-N 2 1 282.815 2.493 20 0 CEADMP C[C@@H](C[N@H+]1CCCO[C@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000415108320 394892337 /nfs/dbraw/zinc/89/23/37/394892337.db2.gz MEOVFYLDPLEECT-SWLSCSKDSA-N 2 1 282.815 2.493 20 0 CEADMP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)cn1 ZINC000423570690 394953231 /nfs/dbraw/zinc/95/32/31/394953231.db2.gz WVWFVKGENQQGLU-ZDUSSCGKSA-N 2 1 251.349 2.404 20 0 CEADMP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@@H](C)C[NH3+] ZINC000423364120 394901466 /nfs/dbraw/zinc/90/14/66/394901466.db2.gz JNSHMLWGGPYSEV-DZGCQCFKSA-N 2 1 250.386 2.165 20 0 CEADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](C)[NH3+] ZINC000423374583 394906190 /nfs/dbraw/zinc/90/61/90/394906190.db2.gz XEUXMXMDACVSGC-ZVDSWSACSA-N 2 1 297.487 2.088 20 0 CEADMP C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000364463430 394906416 /nfs/dbraw/zinc/90/64/16/394906416.db2.gz FIDKRCCRSADHHA-OWCLPIDISA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000423387647 394910657 /nfs/dbraw/zinc/91/06/57/394910657.db2.gz SSLPHJGNVQHYIR-ZDUSSCGKSA-N 2 1 289.423 2.311 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423389684 394910678 /nfs/dbraw/zinc/91/06/78/394910678.db2.gz JKSAEKCHTXIIAK-YWPYICTPSA-N 2 1 266.360 2.230 20 0 CEADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000366941075 394955007 /nfs/dbraw/zinc/95/50/07/394955007.db2.gz ORDOSNZHUBGHQP-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2c(s1)CCCC2 ZINC000423422135 394918779 /nfs/dbraw/zinc/91/87/79/394918779.db2.gz CWQQICQDTADQJW-NYMYIZQJSA-N 2 1 262.422 2.495 20 0 CEADMP Cc1ccc([C@H](CCn2cncn2)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000423450191 394923062 /nfs/dbraw/zinc/92/30/62/394923062.db2.gz SQCDUZOTOFKTSN-YCPHGPKFSA-N 2 1 287.411 2.043 20 0 CEADMP COCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000423452774 394923897 /nfs/dbraw/zinc/92/38/97/394923897.db2.gz WWORUSFRJUFVNG-UPJWGTAASA-N 2 1 266.385 2.098 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2cc(OC)c(OC)cc21 ZINC000423456587 394924655 /nfs/dbraw/zinc/92/46/55/394924655.db2.gz DRPXSRNUALOFJZ-YPMHNXCESA-N 2 1 264.369 2.018 20 0 CEADMP CCC[NH2+]CCNC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000423474193 394928385 /nfs/dbraw/zinc/92/83/85/394928385.db2.gz YRXVBDDWNOPTSH-INIZCTEOSA-N 2 1 291.439 2.013 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423527432 394946098 /nfs/dbraw/zinc/94/60/98/394946098.db2.gz MLTKGAYJSYGVDP-SDEQNOSCSA-N 2 1 291.483 2.070 20 0 CEADMP CCN1C[C@@H](C)[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423527432 394946100 /nfs/dbraw/zinc/94/61/00/394946100.db2.gz MLTKGAYJSYGVDP-SDEQNOSCSA-N 2 1 291.483 2.070 20 0 CEADMP CC1(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)COC1 ZINC000285495701 394957261 /nfs/dbraw/zinc/95/72/61/394957261.db2.gz PUIUQNVMJBIWON-UHFFFAOYSA-N 2 1 274.408 2.061 20 0 CEADMP CC1(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)COC1 ZINC000285495701 394957264 /nfs/dbraw/zinc/95/72/64/394957264.db2.gz PUIUQNVMJBIWON-UHFFFAOYSA-N 2 1 274.408 2.061 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340227704 394981775 /nfs/dbraw/zinc/98/17/75/394981775.db2.gz CHVXFDKUUWBGEU-KGLIPLIRSA-N 2 1 254.418 2.264 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000371264681 395027111 /nfs/dbraw/zinc/02/71/11/395027111.db2.gz PVUHGTPQZDYERJ-VNQPRFMTSA-N 2 1 293.455 2.027 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCCn2ccnn2)C[C@H]1c1ccccc1 ZINC000340353253 394984040 /nfs/dbraw/zinc/98/40/40/394984040.db2.gz IUISGEKRPCHKJC-IRXDYDNUSA-N 2 1 299.422 2.093 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCn2ccnn2)C[C@H]1c1ccccc1 ZINC000340353253 394984042 /nfs/dbraw/zinc/98/40/42/394984042.db2.gz IUISGEKRPCHKJC-IRXDYDNUSA-N 2 1 299.422 2.093 20 0 CEADMP Cn1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340354451 394984087 /nfs/dbraw/zinc/98/40/87/394984087.db2.gz UINXINAOQLUIPN-ROUUACIJSA-N 2 1 298.434 2.388 20 0 CEADMP Cn1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340354451 394984090 /nfs/dbraw/zinc/98/40/90/394984090.db2.gz UINXINAOQLUIPN-ROUUACIJSA-N 2 1 298.434 2.388 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000153768411 395017643 /nfs/dbraw/zinc/01/76/43/395017643.db2.gz OUUSTGOBRKYLMN-YIONKMFJSA-N 2 1 256.434 2.369 20 0 CEADMP CN(CCC[N@H+](C)Cc1ccco1)Cc1ccnc(N)c1 ZINC000285818398 394968518 /nfs/dbraw/zinc/96/85/18/394968518.db2.gz WFPBVSDWKJESKE-UHFFFAOYSA-N 2 1 288.395 2.211 20 0 CEADMP CN(CCC[N@@H+](C)Cc1ccco1)Cc1ccnc(N)c1 ZINC000285818398 394968521 /nfs/dbraw/zinc/96/85/21/394968521.db2.gz WFPBVSDWKJESKE-UHFFFAOYSA-N 2 1 288.395 2.211 20 0 CEADMP COCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340168176 394979417 /nfs/dbraw/zinc/97/94/17/394979417.db2.gz QJPUOPZDRFHZHH-CVEARBPZSA-N 2 1 262.397 2.448 20 0 CEADMP COCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340168176 394979421 /nfs/dbraw/zinc/97/94/21/394979421.db2.gz QJPUOPZDRFHZHH-CVEARBPZSA-N 2 1 262.397 2.448 20 0 CEADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000343948296 395046427 /nfs/dbraw/zinc/04/64/27/395046427.db2.gz XXVPFAYDKUKPLB-UONOGXRCSA-N 2 1 256.434 2.369 20 0 CEADMP CN(CCC[N@@H+](C)CC1CCCCC1)CC[NH+](C)C ZINC000344047161 395049171 /nfs/dbraw/zinc/04/91/71/395049171.db2.gz YODZALACUPWUAC-UHFFFAOYSA-N 2 1 269.477 2.382 20 0 CEADMP Cc1c[nH+]ccc1N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000373028925 395052834 /nfs/dbraw/zinc/05/28/34/395052834.db2.gz LKOVDJNDPBGYAQ-DZKIICNBSA-N 2 1 257.381 2.311 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCCCCn3cccn3)CC[C@@H]21 ZINC000158830755 395054777 /nfs/dbraw/zinc/05/47/77/395054777.db2.gz SNWWCFPUBDMBNU-IRXDYDNUSA-N 2 1 290.455 2.470 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCCCCn3cccn3)CC[C@@H]21 ZINC000158830755 395054779 /nfs/dbraw/zinc/05/47/79/395054779.db2.gz SNWWCFPUBDMBNU-IRXDYDNUSA-N 2 1 290.455 2.470 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCCn3cccn3)CC[C@@H]21 ZINC000158830755 395054785 /nfs/dbraw/zinc/05/47/85/395054785.db2.gz SNWWCFPUBDMBNU-IRXDYDNUSA-N 2 1 290.455 2.470 20 0 CEADMP Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ncn1 ZINC000161909474 395066931 /nfs/dbraw/zinc/06/69/31/395066931.db2.gz LTFIJYVFQXXRHY-HIFRSBDPSA-N 2 1 272.396 2.238 20 0 CEADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000162211955 395072052 /nfs/dbraw/zinc/07/20/52/395072052.db2.gz PRURDBCMWCHGEW-DDHJSBNISA-N 2 1 256.434 2.102 20 0 CEADMP Cc1nccn1CCC[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000162267392 395073362 /nfs/dbraw/zinc/07/33/62/395073362.db2.gz PTRGMDHSEHIQNU-OAHLLOKOSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000162267392 395073367 /nfs/dbraw/zinc/07/33/67/395073367.db2.gz PTRGMDHSEHIQNU-OAHLLOKOSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000162267392 395073370 /nfs/dbraw/zinc/07/33/70/395073370.db2.gz PTRGMDHSEHIQNU-OAHLLOKOSA-N 2 1 265.401 2.329 20 0 CEADMP CC[C@@H](C(=O)NCCNc1cccc(C)[nH+]1)[NH+](CC)CC ZINC000346209201 395091158 /nfs/dbraw/zinc/09/11/58/395091158.db2.gz CHXTWPNQXALGAX-AWEZNQCLSA-N 2 1 292.427 2.039 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000375286733 395091742 /nfs/dbraw/zinc/09/17/42/395091742.db2.gz KYMHPXHLDCOXCL-OWCLPIDISA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427101057 395092286 /nfs/dbraw/zinc/09/22/86/395092286.db2.gz ARSWRZALHIBEMG-VNQPRFMTSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427101057 395092290 /nfs/dbraw/zinc/09/22/90/395092290.db2.gz ARSWRZALHIBEMG-VNQPRFMTSA-N 2 1 266.429 2.123 20 0 CEADMP O=c1[nH]c2ccccc2cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427133826 395093273 /nfs/dbraw/zinc/09/32/73/395093273.db2.gz SDXAHDGIPUOGKI-DZGCQCFKSA-N 2 1 283.375 2.124 20 0 CEADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427133826 395093275 /nfs/dbraw/zinc/09/32/75/395093275.db2.gz SDXAHDGIPUOGKI-DZGCQCFKSA-N 2 1 283.375 2.124 20 0 CEADMP C([C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1)[NH+]1CCCCC1 ZINC000173878942 395117087 /nfs/dbraw/zinc/11/70/87/395117087.db2.gz AAUWLFIUOGESFJ-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP CC[C@H]1C[C@@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000347061149 395118901 /nfs/dbraw/zinc/11/89/01/395118901.db2.gz YMRKYAIUTDJDEQ-XGUBFFRZSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H]1C[C@@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000347061149 395118903 /nfs/dbraw/zinc/11/89/03/395118903.db2.gz YMRKYAIUTDJDEQ-XGUBFFRZSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc2c1OCCCO2 ZINC000346692989 395104541 /nfs/dbraw/zinc/10/45/41/395104541.db2.gz KESWJGBSOUSPFC-STQMWFEESA-N 2 1 276.380 2.017 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc2c1OCCCO2 ZINC000346692989 395104546 /nfs/dbraw/zinc/10/45/46/395104546.db2.gz KESWJGBSOUSPFC-STQMWFEESA-N 2 1 276.380 2.017 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(O)c2)C1 ZINC000290490904 395105718 /nfs/dbraw/zinc/10/57/18/395105718.db2.gz OPKGUUPTSZVPMN-HOCLYGCPSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(O)c2)C1 ZINC000290490904 395105724 /nfs/dbraw/zinc/10/57/24/395105724.db2.gz OPKGUUPTSZVPMN-HOCLYGCPSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(O)c2)C1 ZINC000290490904 395105728 /nfs/dbraw/zinc/10/57/28/395105728.db2.gz OPKGUUPTSZVPMN-HOCLYGCPSA-N 2 1 260.381 2.308 20 0 CEADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000290635420 395112411 /nfs/dbraw/zinc/11/24/11/395112411.db2.gz YFSDLPKLLCELKD-CZUORRHYSA-N 2 1 274.408 2.394 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)CCO2 ZINC000290635420 395112417 /nfs/dbraw/zinc/11/24/17/395112417.db2.gz YFSDLPKLLCELKD-CZUORRHYSA-N 2 1 274.408 2.394 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)CCO2 ZINC000290635420 395112421 /nfs/dbraw/zinc/11/24/21/395112421.db2.gz YFSDLPKLLCELKD-CZUORRHYSA-N 2 1 274.408 2.394 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000290635420 395112425 /nfs/dbraw/zinc/11/24/25/395112425.db2.gz YFSDLPKLLCELKD-CZUORRHYSA-N 2 1 274.408 2.394 20 0 CEADMP CCn1cncc1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000417947975 395161119 /nfs/dbraw/zinc/16/11/19/395161119.db2.gz HEORVCVIUJRJLM-HNNXBMFYSA-N 2 1 278.444 2.361 20 0 CEADMP CCn1cncc1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000417947975 395161121 /nfs/dbraw/zinc/16/11/21/395161121.db2.gz HEORVCVIUJRJLM-HNNXBMFYSA-N 2 1 278.444 2.361 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000177823811 395157049 /nfs/dbraw/zinc/15/70/49/395157049.db2.gz BAVRGZBQGLWDOY-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000177823811 395157053 /nfs/dbraw/zinc/15/70/53/395157053.db2.gz BAVRGZBQGLWDOY-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000177823811 395157057 /nfs/dbraw/zinc/15/70/57/395157057.db2.gz BAVRGZBQGLWDOY-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000177823811 395157060 /nfs/dbraw/zinc/15/70/60/395157060.db2.gz BAVRGZBQGLWDOY-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)C12CCC2 ZINC000178818896 395175488 /nfs/dbraw/zinc/17/54/88/395175488.db2.gz NUODCJXANBHHTH-CVEARBPZSA-N 2 1 296.455 2.035 20 0 CEADMP CCN(Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000382084367 395179558 /nfs/dbraw/zinc/17/95/58/395179558.db2.gz WXKRTUYAHUVYPF-INIZCTEOSA-N 2 1 264.413 2.210 20 0 CEADMP CC[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000382084367 395179564 /nfs/dbraw/zinc/17/95/64/395179564.db2.gz WXKRTUYAHUVYPF-INIZCTEOSA-N 2 1 264.413 2.210 20 0 CEADMP CC[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000382084367 395179573 /nfs/dbraw/zinc/17/95/73/395179573.db2.gz WXKRTUYAHUVYPF-INIZCTEOSA-N 2 1 264.413 2.210 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN(C)Cc1cc(C)c(OC)c(C)c1 ZINC000519614876 395197575 /nfs/dbraw/zinc/19/75/75/395197575.db2.gz RQCUKNNZQRXPTJ-INIZCTEOSA-N 2 1 294.439 2.056 20 0 CEADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000519639147 395201167 /nfs/dbraw/zinc/20/11/67/395201167.db2.gz FOGJGQLYJIJMLH-YGRLFVJLSA-N 2 1 287.407 2.304 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1COC(C)(C)C1 ZINC000396810610 395219518 /nfs/dbraw/zinc/21/95/18/395219518.db2.gz QPRZTMCIUSJLEQ-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC[C@H]1CCOC1 ZINC000400611388 395252817 /nfs/dbraw/zinc/25/28/17/395252817.db2.gz IPMTZWGQJKNPLT-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP COCC1CCC([NH2+]Cc2c[nH+]ccc2N(C)C)CC1 ZINC000419826710 395279676 /nfs/dbraw/zinc/27/96/76/395279676.db2.gz WUXVMHUBCQNPOC-UHFFFAOYSA-N 2 1 277.412 2.442 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000434193317 395281183 /nfs/dbraw/zinc/28/11/83/395281183.db2.gz IOFUQMDOYPUXIE-ZBFHGGJFSA-N 2 1 268.445 2.323 20 0 CEADMP C[C@H](CC1CCOCC1)C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000434193317 395281188 /nfs/dbraw/zinc/28/11/88/395281188.db2.gz IOFUQMDOYPUXIE-ZBFHGGJFSA-N 2 1 268.445 2.323 20 0 CEADMP C[C@H](CC1CCOCC1)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000434193317 395281191 /nfs/dbraw/zinc/28/11/91/395281191.db2.gz IOFUQMDOYPUXIE-ZBFHGGJFSA-N 2 1 268.445 2.323 20 0 CEADMP CCc1ccc([C@@H]2CNCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420324134 395327699 /nfs/dbraw/zinc/32/76/99/395327699.db2.gz ZGDLXSLHRWIDDG-WMZOPIPTSA-N 2 1 287.451 2.195 20 0 CEADMP CCc1ccc([C@@H]2C[NH2+]CCN2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420324134 395327700 /nfs/dbraw/zinc/32/77/00/395327700.db2.gz ZGDLXSLHRWIDDG-WMZOPIPTSA-N 2 1 287.451 2.195 20 0 CEADMP C[C@@H]1CC[N@H+](CCC(=O)NCC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000420323805 395325971 /nfs/dbraw/zinc/32/59/71/395325971.db2.gz ABEYELBMZRTCIU-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1CC[N@@H+](CCC(=O)NCC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000420323805 395325973 /nfs/dbraw/zinc/32/59/73/395325973.db2.gz ABEYELBMZRTCIU-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)c1cc(N2CC[C@H](C)[C@@H](C[NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420291567 395298890 /nfs/dbraw/zinc/29/88/90/395298890.db2.gz XGKRHCBKVVQPLK-STQMWFEESA-N 2 1 291.443 2.087 20 0 CEADMP C[C@@H]([NH3+])CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000420323727 395326363 /nfs/dbraw/zinc/32/63/63/395326363.db2.gz UQSFRWWYVJIDTL-CHWSQXEVSA-N 2 1 281.831 2.366 20 0 CEADMP COCC[N@H+](CCc1ccccc1)CC[C@@H]1CC[NH2+]C1 ZINC000420296859 395302517 /nfs/dbraw/zinc/30/25/17/395302517.db2.gz CFCCRQQTXATLOS-KRWDZBQOSA-N 2 1 276.424 2.177 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCc3ccsc3)C[C@@H]12 ZINC000420300432 395305311 /nfs/dbraw/zinc/30/53/11/395305311.db2.gz CRPRCIGBAYTJLD-BFHYXJOUSA-N 2 1 250.411 2.350 20 0 CEADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000420300487 395306106 /nfs/dbraw/zinc/30/61/06/395306106.db2.gz HQCLJTAKIQRDGN-GJZGRUSLSA-N 2 1 290.407 2.148 20 0 CEADMP C[C@H]([NH3+])C[N@@H+](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000420303054 395308018 /nfs/dbraw/zinc/30/80/18/395308018.db2.gz MZMFQGHKOUNFHZ-OOJKYFRXSA-N 2 1 254.418 2.393 20 0 CEADMP CC(C)[C@H]1CCCC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420307546 395310612 /nfs/dbraw/zinc/31/06/12/395310612.db2.gz RJEIYPMWMRWHEC-KSZLIROESA-N 2 1 290.451 2.428 20 0 CEADMP CC(C)[C@H]1CCCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420307546 395310616 /nfs/dbraw/zinc/31/06/16/395310616.db2.gz RJEIYPMWMRWHEC-KSZLIROESA-N 2 1 290.451 2.428 20 0 CEADMP CC(C)[C@H]1CCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420307546 395310619 /nfs/dbraw/zinc/31/06/19/395310619.db2.gz RJEIYPMWMRWHEC-KSZLIROESA-N 2 1 290.451 2.428 20 0 CEADMP OCCC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000420309023 395313224 /nfs/dbraw/zinc/31/32/24/395313224.db2.gz STOYZUIGAJFCKU-MAUKXSAKSA-N 2 1 288.435 2.358 20 0 CEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](F)CC)[C@@H](C)C1 ZINC000440539750 395327224 /nfs/dbraw/zinc/32/72/24/395327224.db2.gz VHUVUQHRKNWRTL-ZNMIVQPWSA-N 2 1 274.424 2.461 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](F)CC)[C@@H](C)C1 ZINC000440539750 395327230 /nfs/dbraw/zinc/32/72/30/395327230.db2.gz VHUVUQHRKNWRTL-ZNMIVQPWSA-N 2 1 274.424 2.461 20 0 CEADMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC[C@H]1c1ccccc1 ZINC000420312781 395316582 /nfs/dbraw/zinc/31/65/82/395316582.db2.gz XGRWEHXOTNJEQM-SJLPKXTDSA-N 2 1 287.451 2.017 20 0 CEADMP Fc1ccc([C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1F ZINC000420312834 395316875 /nfs/dbraw/zinc/31/68/75/395316875.db2.gz XJDMGYRXSKUWPS-LRDDRELGSA-N 2 1 296.361 2.338 20 0 CEADMP Fc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1F ZINC000420312834 395316877 /nfs/dbraw/zinc/31/68/77/395316877.db2.gz XJDMGYRXSKUWPS-LRDDRELGSA-N 2 1 296.361 2.338 20 0 CEADMP COc1ccc2c(c1)C[N@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420324994 395327437 /nfs/dbraw/zinc/32/74/37/395327437.db2.gz VWYKGMQDJBFWKK-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP COc1cccc(OCC[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000420314788 395317863 /nfs/dbraw/zinc/31/78/63/395317863.db2.gz LJPJSUPEMPPVRO-CQSZACIVSA-N 2 1 278.396 2.277 20 0 CEADMP COc1ccc2c(c1)C[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420325685 395327565 /nfs/dbraw/zinc/32/75/65/395327565.db2.gz WRDGEOVISRGWRI-CYBMUJFWSA-N 2 1 260.381 2.053 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000420318325 395322121 /nfs/dbraw/zinc/32/21/21/395322121.db2.gz NXYKMXFRIRJZHW-JYJNAYRXSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000420318325 395322130 /nfs/dbraw/zinc/32/21/30/395322130.db2.gz NXYKMXFRIRJZHW-JYJNAYRXSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000420318325 395322138 /nfs/dbraw/zinc/32/21/38/395322138.db2.gz NXYKMXFRIRJZHW-JYJNAYRXSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000420318325 395322145 /nfs/dbraw/zinc/32/21/45/395322145.db2.gz NXYKMXFRIRJZHW-JYJNAYRXSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000420318325 395322152 /nfs/dbraw/zinc/32/21/52/395322152.db2.gz NXYKMXFRIRJZHW-JYJNAYRXSA-N 2 1 267.461 2.038 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c(C)s1 ZINC000420320556 395323633 /nfs/dbraw/zinc/32/36/33/395323633.db2.gz UBUHZQHJRBEKGJ-CQSZACIVSA-N 2 1 282.409 2.014 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(C)s1 ZINC000420320556 395323640 /nfs/dbraw/zinc/32/36/40/395323640.db2.gz UBUHZQHJRBEKGJ-CQSZACIVSA-N 2 1 282.409 2.014 20 0 CEADMP C(C[N@H+]1CCO[C@H](C2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420368815 395355154 /nfs/dbraw/zinc/35/51/54/395355154.db2.gz ILLMXMNMCIKCES-HOCLYGCPSA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+]C[C@H]([NH2+]CC[C@@H]1CCCCO1)C1CCCCC1 ZINC000420371369 395356858 /nfs/dbraw/zinc/35/68/58/395356858.db2.gz PJKYRXLKPIAFIN-GJZGRUSLSA-N 2 1 254.418 2.443 20 0 CEADMP COC[C@@H]1CCCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420376338 395362025 /nfs/dbraw/zinc/36/20/25/395362025.db2.gz QLXPNCYFYXRMCV-LSDHHAIUSA-N 2 1 254.418 2.125 20 0 CEADMP CC(C)OCCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420395093 395369470 /nfs/dbraw/zinc/36/94/70/395369470.db2.gz KTPSQXAGPFQPFI-GJZGRUSLSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)OCCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420395095 395369479 /nfs/dbraw/zinc/36/94/79/395369479.db2.gz KTPSQXAGPFQPFI-LSDHHAIUSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000435727838 395383974 /nfs/dbraw/zinc/38/39/74/395383974.db2.gz GLBOTLUNAHPUGB-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435727838 395383976 /nfs/dbraw/zinc/38/39/76/395383976.db2.gz GLBOTLUNAHPUGB-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435727838 395383978 /nfs/dbraw/zinc/38/39/78/395383978.db2.gz GLBOTLUNAHPUGB-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435727838 395383980 /nfs/dbraw/zinc/38/39/80/395383980.db2.gz GLBOTLUNAHPUGB-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435727838 395383982 /nfs/dbraw/zinc/38/39/82/395383982.db2.gz GLBOTLUNAHPUGB-DJIMGWMZSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@@H+]1C[C@H]2CN(c3cc[nH+]c4ccccc43)C[C@H]2C1 ZINC000192807133 395393829 /nfs/dbraw/zinc/39/38/29/395393829.db2.gz PHDVKSPJZFLPFG-BETUJISGSA-N 2 1 253.349 2.233 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)CC1 ZINC000420327037 395329369 /nfs/dbraw/zinc/32/93/69/395329369.db2.gz YHAFHOJDPLPRGU-QZTJIDSGSA-N 3 1 293.499 2.430 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)CC1 ZINC000420327033 395329616 /nfs/dbraw/zinc/32/96/16/395329616.db2.gz YHAFHOJDPLPRGU-MSOLQXFVSA-N 3 1 293.499 2.430 20 0 CEADMP C[N@@H+](CC[C@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420327389 395329707 /nfs/dbraw/zinc/32/97/07/395329707.db2.gz YPTAHTXUOYAQIV-IZGVIRRGSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H](c1cccnc1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330916 395331166 /nfs/dbraw/zinc/33/11/66/395331166.db2.gz QGPVMBJWGUNEJT-KBMXLJTQSA-N 2 1 259.397 2.464 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCSCC1 ZINC000354579773 395337121 /nfs/dbraw/zinc/33/71/21/395337121.db2.gz UNGAUTMGQYWDCU-LBPRGKRZSA-N 2 1 254.443 2.370 20 0 CEADMP COc1cccc([C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)c1 ZINC000420361202 395347998 /nfs/dbraw/zinc/34/79/98/395347998.db2.gz MXBDDSKVGYUZPY-PBHICJAKSA-N 2 1 290.407 2.068 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1 ZINC000420362814 395350569 /nfs/dbraw/zinc/35/05/69/395350569.db2.gz IWDKMPVUDXKNRL-XJKCOSOUSA-N 2 1 262.397 2.214 20 0 CEADMP C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364121 395350662 /nfs/dbraw/zinc/35/06/62/395350662.db2.gz CQIKHAMEMIKCMT-AEFFLSMTSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364121 395350669 /nfs/dbraw/zinc/35/06/69/395350669.db2.gz CQIKHAMEMIKCMT-AEFFLSMTSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364121 395350675 /nfs/dbraw/zinc/35/06/75/395350675.db2.gz CQIKHAMEMIKCMT-AEFFLSMTSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364121 395350683 /nfs/dbraw/zinc/35/06/83/395350683.db2.gz CQIKHAMEMIKCMT-AEFFLSMTSA-N 2 1 291.483 2.325 20 0 CEADMP C(C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364121 395350686 /nfs/dbraw/zinc/35/06/86/395350686.db2.gz CQIKHAMEMIKCMT-AEFFLSMTSA-N 2 1 291.483 2.325 20 0 CEADMP C(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364121 395350694 /nfs/dbraw/zinc/35/06/94/395350694.db2.gz CQIKHAMEMIKCMT-AEFFLSMTSA-N 2 1 291.483 2.325 20 0 CEADMP C(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364121 395350700 /nfs/dbraw/zinc/35/07/00/395350700.db2.gz CQIKHAMEMIKCMT-AEFFLSMTSA-N 2 1 291.483 2.325 20 0 CEADMP CCOC(=O)C1([N@@H+](C)CC[C@H]2CC[NH2+]C2)CCCCC1 ZINC000420366909 395353302 /nfs/dbraw/zinc/35/33/02/395353302.db2.gz VEYLWBPHKSXZLC-CQSZACIVSA-N 2 1 282.428 2.184 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CC2CCC2)C(C)C)CC1 ZINC000444774676 395454425 /nfs/dbraw/zinc/45/44/25/395454425.db2.gz KDCKOYFMTKPGDX-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C(C[NH2+]C1(CCO)CC[NH+](C)CC1)C(C)C ZINC000556599093 395467465 /nfs/dbraw/zinc/46/74/65/395467465.db2.gz WCWUXWQAAVNAGD-UHFFFAOYSA-N 2 1 270.461 2.351 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCO[C@H]1CCCCO1 ZINC000193075778 395400571 /nfs/dbraw/zinc/40/05/71/395400571.db2.gz OFKIFTJJAOYDOW-HNNXBMFYSA-N 2 1 281.400 2.057 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCO[C@H]1CCCCO1 ZINC000193075778 395400575 /nfs/dbraw/zinc/40/05/75/395400575.db2.gz OFKIFTJJAOYDOW-HNNXBMFYSA-N 2 1 281.400 2.057 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@]34CC[NH2+]C4)c2C1 ZINC000444168186 395419856 /nfs/dbraw/zinc/41/98/56/395419856.db2.gz OSHCYFXVSLVALT-YJBOKZPZSA-N 2 1 299.418 2.350 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@]34CC[NH2+]C4)c2C1 ZINC000444168186 395419859 /nfs/dbraw/zinc/41/98/59/395419859.db2.gz OSHCYFXVSLVALT-YJBOKZPZSA-N 2 1 299.418 2.350 20 0 CEADMP CCCOc1cccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000194543847 395440834 /nfs/dbraw/zinc/44/08/34/395440834.db2.gz NWXZKDFPARGICD-IYBDPMFKSA-N 2 1 274.408 2.469 20 0 CEADMP CCCOc1cccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000194543847 395440836 /nfs/dbraw/zinc/44/08/36/395440836.db2.gz NWXZKDFPARGICD-IYBDPMFKSA-N 2 1 274.408 2.469 20 0 CEADMP CCCOc1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000194543847 395440839 /nfs/dbraw/zinc/44/08/39/395440839.db2.gz NWXZKDFPARGICD-IYBDPMFKSA-N 2 1 274.408 2.469 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000448023582 395508009 /nfs/dbraw/zinc/50/80/09/395508009.db2.gz UGZUQPQWQGYICM-FPCVCCKLSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448023582 395508011 /nfs/dbraw/zinc/50/80/11/395508011.db2.gz UGZUQPQWQGYICM-FPCVCCKLSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448023582 395508013 /nfs/dbraw/zinc/50/80/13/395508013.db2.gz UGZUQPQWQGYICM-FPCVCCKLSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000448023582 395508015 /nfs/dbraw/zinc/50/80/15/395508015.db2.gz UGZUQPQWQGYICM-FPCVCCKLSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000448023582 395508017 /nfs/dbraw/zinc/50/80/17/395508017.db2.gz UGZUQPQWQGYICM-FPCVCCKLSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000566295847 395510766 /nfs/dbraw/zinc/51/07/66/395510766.db2.gz YXSUNNVMNVADLZ-UHFFFAOYSA-N 2 1 295.471 2.228 20 0 CEADMP COC[C@H]1CCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000448553538 395516099 /nfs/dbraw/zinc/51/60/99/395516099.db2.gz CJLIDFGGTAIDQR-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP COC[C@H]1CCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000448553538 395516102 /nfs/dbraw/zinc/51/61/02/395516102.db2.gz CJLIDFGGTAIDQR-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000565784720 395484709 /nfs/dbraw/zinc/48/47/09/395484709.db2.gz JENRFIVKXOHPOJ-UHFFFAOYSA-N 2 1 297.487 2.441 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](COC)C2CCCC2)C1 ZINC000446750061 395497721 /nfs/dbraw/zinc/49/77/21/395497721.db2.gz DPGZFVUZJJSFDZ-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@@H+]1C ZINC000493916119 395677863 /nfs/dbraw/zinc/67/78/63/395677863.db2.gz GWECLKRUULOXGW-QKGCVVFFSA-N 2 1 264.413 2.016 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC[N@H+]1C ZINC000493916119 395677864 /nfs/dbraw/zinc/67/78/64/395677864.db2.gz GWECLKRUULOXGW-QKGCVVFFSA-N 2 1 264.413 2.016 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCCO1 ZINC000647344225 395706916 /nfs/dbraw/zinc/70/69/16/395706916.db2.gz MFVJTOFIMFZUJX-BGTYHANMSA-N 2 1 288.435 2.489 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482840 395720495 /nfs/dbraw/zinc/72/04/95/395720495.db2.gz CFSGLZCPZKEFLC-UHFFFAOYSA-N 2 1 287.407 2.361 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647496538 395721806 /nfs/dbraw/zinc/72/18/06/395721806.db2.gz ROBKNEYZUBSXNX-WFASDCNBSA-N 2 1 255.365 2.404 20 0 CEADMP Fc1cccc(O[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000647537996 395729247 /nfs/dbraw/zinc/72/92/47/395729247.db2.gz BMXHHAOASAKDIX-MRXNPFEDSA-N 2 1 278.371 2.278 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC[NH2+]1 ZINC000647542706 395730939 /nfs/dbraw/zinc/73/09/39/395730939.db2.gz AFNDCXANAMNEDL-QBPKDAKJSA-N 3 1 279.472 2.086 20 0 CEADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCc2cnn(-c3ccccc3)c2)C1 ZINC000647550420 395734022 /nfs/dbraw/zinc/73/40/22/395734022.db2.gz PWSKDUABBCLJRO-HOCLYGCPSA-N 2 1 284.407 2.002 20 0 CEADMP CC(C)[C@@H]1[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC12CC=CC2 ZINC000647614882 395737873 /nfs/dbraw/zinc/73/78/73/395737873.db2.gz PRHZPXLEEKOAPO-CVEARBPZSA-N 2 1 278.440 2.118 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC12CC=CC2 ZINC000647614882 395737875 /nfs/dbraw/zinc/73/78/75/395737875.db2.gz PRHZPXLEEKOAPO-CVEARBPZSA-N 2 1 278.440 2.118 20 0 CEADMP CC(C)[C@@H]1[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC12CC=CC2 ZINC000647614882 395737876 /nfs/dbraw/zinc/73/78/76/395737876.db2.gz PRHZPXLEEKOAPO-CVEARBPZSA-N 2 1 278.440 2.118 20 0 CEADMP CC(C)[C@@H]1[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC12CC=CC2 ZINC000647614882 395737878 /nfs/dbraw/zinc/73/78/78/395737878.db2.gz PRHZPXLEEKOAPO-CVEARBPZSA-N 2 1 278.440 2.118 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@@H]3CCC[C@H]3C[NH3+])c2c1C ZINC000647704918 395746845 /nfs/dbraw/zinc/74/68/45/395746845.db2.gz PNAWDLJNJCJKTM-WDEREUQCSA-N 2 1 259.357 2.114 20 0 CEADMP C[C@@H]1CCC[C@@H](CC[N@@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000647835858 395761985 /nfs/dbraw/zinc/76/19/85/395761985.db2.gz SAPNFSOTMWCFQP-CVEARBPZSA-N 2 1 267.461 2.040 20 0 CEADMP CCC[N@H+](C)C[C@H]1CCN(c2cc(CO)cc(C)[nH+]2)C1 ZINC000647870411 395766223 /nfs/dbraw/zinc/76/62/23/395766223.db2.gz RNBROCFFSUEJED-CQSZACIVSA-N 2 1 277.412 2.050 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc(CO)cc(C)[nH+]2)C1 ZINC000647870411 395766224 /nfs/dbraw/zinc/76/62/24/395766224.db2.gz RNBROCFFSUEJED-CQSZACIVSA-N 2 1 277.412 2.050 20 0 CEADMP C[C@H]([NH3+])C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000647874218 395766838 /nfs/dbraw/zinc/76/68/38/395766838.db2.gz JBJNMXDKEIMWPK-ZDUSSCGKSA-N 2 1 262.397 2.384 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3noc4c3CCCC4)C[C@@H]21 ZINC000647907791 395771163 /nfs/dbraw/zinc/77/11/63/395771163.db2.gz VQNKUZDTNPVYDJ-FPMFFAJLSA-N 2 1 275.396 2.113 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3noc4c3CCCC4)C[C@@H]21 ZINC000647907791 395771164 /nfs/dbraw/zinc/77/11/64/395771164.db2.gz VQNKUZDTNPVYDJ-FPMFFAJLSA-N 2 1 275.396 2.113 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccnn2CC(C)C)C1 ZINC000648011057 395803592 /nfs/dbraw/zinc/80/35/92/395803592.db2.gz BTZVHVIJZHBZAK-HNNXBMFYSA-N 2 1 278.444 2.313 20 0 CEADMP Nc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647978290 395794093 /nfs/dbraw/zinc/79/40/93/395794093.db2.gz PNLKMPHNWQJGAF-CVEARBPZSA-N 2 1 273.424 2.480 20 0 CEADMP C[C@@H]1[C@H](C(=O)NCC2([NH+](C)C)CCCCCC2)CC[N@H+]1C ZINC000648717045 395966256 /nfs/dbraw/zinc/96/62/56/395966256.db2.gz DCJVESJFEYABJL-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](C)CO)C2)s1 ZINC000649603542 396207363 /nfs/dbraw/zinc/20/73/63/396207363.db2.gz SGKJAVLIDGHZCL-DZGCQCFKSA-N 2 1 296.480 2.439 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](C)CO)C2)s1 ZINC000649603542 396207367 /nfs/dbraw/zinc/20/73/67/396207367.db2.gz SGKJAVLIDGHZCL-DZGCQCFKSA-N 2 1 296.480 2.439 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](C)CO)C2)s1 ZINC000649603542 396207369 /nfs/dbraw/zinc/20/73/69/396207369.db2.gz SGKJAVLIDGHZCL-DZGCQCFKSA-N 2 1 296.480 2.439 20 0 CEADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000649413651 396147199 /nfs/dbraw/zinc/14/71/99/396147199.db2.gz WSURKBRTHYERBV-DOTOQJQBSA-N 2 1 273.424 2.197 20 0 CEADMP Cn1cc(C[C@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)cn1 ZINC000649414170 396147981 /nfs/dbraw/zinc/14/79/81/396147981.db2.gz KHFTZFKCAYNWCV-MRXNPFEDSA-N 2 1 290.455 2.064 20 0 CEADMP CC[C@](C)([NH2+]C[C@H]1CC[NH2+]C1)c1nc(C)cs1 ZINC000649414711 396148692 /nfs/dbraw/zinc/14/86/92/396148692.db2.gz SIRWACRLEIQDBG-AAEUAGOBSA-N 2 1 253.415 2.276 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000649566109 396191750 /nfs/dbraw/zinc/19/17/50/396191750.db2.gz CGKOCKOATQAYPL-UAGQMJEPSA-N 2 1 277.456 2.029 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000649566109 396191751 /nfs/dbraw/zinc/19/17/51/396191751.db2.gz CGKOCKOATQAYPL-UAGQMJEPSA-N 2 1 277.456 2.029 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000649566109 396191752 /nfs/dbraw/zinc/19/17/52/396191752.db2.gz CGKOCKOATQAYPL-UAGQMJEPSA-N 2 1 277.456 2.029 20 0 CEADMP CCn1cc(C[N@H+](CCn2cc[nH+]c2C)C(C)C)cn1 ZINC000649814276 396264918 /nfs/dbraw/zinc/26/49/18/396264918.db2.gz HFRGKNOPOHZBLC-UHFFFAOYSA-N 2 1 275.400 2.319 20 0 CEADMP CCn1cc(C[N@@H+](CCn2cc[nH+]c2C)C(C)C)cn1 ZINC000649814276 396264919 /nfs/dbraw/zinc/26/49/19/396264919.db2.gz HFRGKNOPOHZBLC-UHFFFAOYSA-N 2 1 275.400 2.319 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000649703318 396233424 /nfs/dbraw/zinc/23/34/24/396233424.db2.gz ZZZFLXXSTRLRHK-OAHLLOKOSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000649703318 396233427 /nfs/dbraw/zinc/23/34/27/396233427.db2.gz ZZZFLXXSTRLRHK-OAHLLOKOSA-N 2 1 265.401 2.471 20 0 CEADMP Cc1cc(F)ccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105958 396293909 /nfs/dbraw/zinc/29/39/09/396293909.db2.gz NKGITHYNEFXSNM-UHFFFAOYSA-N 2 1 292.398 2.431 20 0 CEADMP Cc1cc(F)ccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105958 396293910 /nfs/dbraw/zinc/29/39/10/396293910.db2.gz NKGITHYNEFXSNM-UHFFFAOYSA-N 2 1 292.398 2.431 20 0 CEADMP Cc1cccc2nc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cn21 ZINC000647263162 396453335 /nfs/dbraw/zinc/45/33/35/396453335.db2.gz RFMSMGJCKLRWFX-DOTOQJQBSA-N 2 1 298.434 2.402 20 0 CEADMP COc1cc(C)[nH+]c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000213500983 400304520 /nfs/dbraw/zinc/30/45/20/400304520.db2.gz DWFXOLJCKOEUBA-PBHICJAKSA-N 2 1 289.423 2.363 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC2CCC(C)(C)CC2)CCO1 ZINC000386239789 400524912 /nfs/dbraw/zinc/52/49/12/400524912.db2.gz QYMPITSNMKFRGW-GXTWGEPZSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC2CCC(C)(C)CC2)CCO1 ZINC000386239789 400524916 /nfs/dbraw/zinc/52/49/16/400524916.db2.gz QYMPITSNMKFRGW-GXTWGEPZSA-N 2 1 254.418 2.251 20 0 CEADMP CC(C)n1nccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000394654193 400551491 /nfs/dbraw/zinc/55/14/91/400551491.db2.gz WCZSDGAPRJZOLA-ZFWWWQNUSA-N 2 1 262.401 2.025 20 0 CEADMP CC(C)n1nccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000394654193 400551495 /nfs/dbraw/zinc/55/14/95/400551495.db2.gz WCZSDGAPRJZOLA-ZFWWWQNUSA-N 2 1 262.401 2.025 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000574411455 400607470 /nfs/dbraw/zinc/60/74/70/400607470.db2.gz IAGANVCZCRNNMI-SPUZQDLCSA-N 2 1 288.435 2.320 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1nc(-c2ccccc2)no1 ZINC000574410348 400607545 /nfs/dbraw/zinc/60/75/45/400607545.db2.gz HMDSANGRDLVEPX-JSGCOSHPSA-N 2 1 286.379 2.091 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000650023935 400780109 /nfs/dbraw/zinc/78/01/09/400780109.db2.gz XYHAPICZJXCBPU-IXDOHACOSA-N 2 1 280.456 2.248 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)nc1 ZINC000650708215 401000177 /nfs/dbraw/zinc/00/01/77/401000177.db2.gz VKQJPAVTEDVLPR-ZOBUZTSGSA-N 2 1 289.423 2.108 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2cnc3ccccn23)[C@@H]1CC[NH3+] ZINC000650711352 401001224 /nfs/dbraw/zinc/00/12/24/401001224.db2.gz QQURSVCGYOYXNV-DZGCQCFKSA-N 2 1 272.396 2.284 20 0 CEADMP COc1ccc(C[C@H]2CCCC[N@H+]2CCC[NH3+])cc1 ZINC000650714777 401004779 /nfs/dbraw/zinc/00/47/79/401004779.db2.gz BJUMJJSMUATBPY-OAHLLOKOSA-N 2 1 262.397 2.441 20 0 CEADMP Cc1cccnc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650722839 401011620 /nfs/dbraw/zinc/01/16/20/401011620.db2.gz CCDPFSUINRYSCJ-USXIJHARSA-N 2 1 289.423 2.251 20 0 CEADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359934479 155173830 /nfs/dbraw/zinc/17/38/30/155173830.db2.gz NBBYOBUTKSZTML-RBSFLKMASA-N 2 1 254.418 2.408 20 0 CEADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000359934479 155173832 /nfs/dbraw/zinc/17/38/32/155173832.db2.gz NBBYOBUTKSZTML-RBSFLKMASA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCO1 ZINC000651491440 401349359 /nfs/dbraw/zinc/34/93/59/401349359.db2.gz OMAFCRPYZTVUHI-ZFWWWQNUSA-N 2 1 254.418 2.408 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCCCCSC)CC1 ZINC000360047556 155203199 /nfs/dbraw/zinc/20/31/99/155203199.db2.gz WLLDEAAZBJRCHV-UHFFFAOYSA-N 2 1 274.474 2.220 20 0 CEADMP CC[C@]1(C)CCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000651706779 401375379 /nfs/dbraw/zinc/37/53/79/401375379.db2.gz MIWUUXIPTZZQRD-ZMSDIMECSA-N 2 1 295.471 2.132 20 0 CEADMP c1c2cnccc2oc1C[NH2+]CCC[NH+]1CCCC1 ZINC000651749952 401383349 /nfs/dbraw/zinc/38/33/49/401383349.db2.gz PUDHBLUBXFPBJD-UHFFFAOYSA-N 2 1 259.353 2.403 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000651865266 401405947 /nfs/dbraw/zinc/40/59/47/401405947.db2.gz SCTMLMYUCZHCKZ-LSDHHAIUSA-N 2 1 256.434 2.369 20 0 CEADMP COC1([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)CCOCC1 ZINC000652222533 401466694 /nfs/dbraw/zinc/46/66/94/401466694.db2.gz QUPAZICRQIKPSY-HNNXBMFYSA-N 2 1 286.460 2.138 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCc2ccncc2)[C@H]1CC[NH3+] ZINC000652356200 401493413 /nfs/dbraw/zinc/49/34/13/401493413.db2.gz WGVHMIBXMZEJOG-HOCLYGCPSA-N 2 1 261.413 2.464 20 0 CEADMP CCC(CC)[N@H+](CC(C)C)C[C@H](O)C[NH+](C)CC ZINC000311153362 289279089 /nfs/dbraw/zinc/27/90/89/289279089.db2.gz NTEVFSTUIMCPRS-OAHLLOKOSA-N 2 1 258.450 2.446 20 0 CEADMP CCC(CC)[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)CC ZINC000311153362 289279093 /nfs/dbraw/zinc/27/90/93/289279093.db2.gz NTEVFSTUIMCPRS-OAHLLOKOSA-N 2 1 258.450 2.446 20 0 CEADMP CCC(CC)[NH+](CC(C)C)C[C@H](O)C[N@H+](C)CC ZINC000311153362 289279095 /nfs/dbraw/zinc/27/90/95/289279095.db2.gz NTEVFSTUIMCPRS-OAHLLOKOSA-N 2 1 258.450 2.446 20 0 CEADMP CCC(CC)[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)CC ZINC000311153362 289279100 /nfs/dbraw/zinc/27/91/00/289279100.db2.gz NTEVFSTUIMCPRS-OAHLLOKOSA-N 2 1 258.450 2.446 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCCc3ccncc3)CC[C@@H]21 ZINC000360437834 155298809 /nfs/dbraw/zinc/29/88/09/155298809.db2.gz OIWLRZWTYVYJCC-IRXDYDNUSA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCCc3ccncc3)CC[C@@H]21 ZINC000360437834 155298811 /nfs/dbraw/zinc/29/88/11/155298811.db2.gz OIWLRZWTYVYJCC-IRXDYDNUSA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3ccncc3)CC[C@@H]21 ZINC000360437834 155298814 /nfs/dbraw/zinc/29/88/14/155298814.db2.gz OIWLRZWTYVYJCC-IRXDYDNUSA-N 2 1 273.424 2.430 20 0 CEADMP Cc1[nH+]c(CNC2CC[NH+](C(C)C)CC2)c2n1CCCC2 ZINC000360700505 155355354 /nfs/dbraw/zinc/35/53/54/155355354.db2.gz STCXMBFRJIPQNW-UHFFFAOYSA-N 2 1 290.455 2.490 20 0 CEADMP COc1ccc(OCC[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414674220 286346287 /nfs/dbraw/zinc/34/62/87/286346287.db2.gz DIXVVWWCVLHQOC-GJZGRUSLSA-N 2 1 292.423 2.394 20 0 CEADMP CC(C)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188315649 153051881 /nfs/dbraw/zinc/05/18/81/153051881.db2.gz VTHHEJSTJYULFD-KRWDZBQOSA-N 2 1 276.424 2.211 20 0 CEADMP CC(C)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188315649 153051886 /nfs/dbraw/zinc/05/18/86/153051886.db2.gz VTHHEJSTJYULFD-KRWDZBQOSA-N 2 1 276.424 2.211 20 0 CEADMP CC(C)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188315649 153051891 /nfs/dbraw/zinc/05/18/91/153051891.db2.gz VTHHEJSTJYULFD-KRWDZBQOSA-N 2 1 276.424 2.211 20 0 CEADMP CC(C)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188315649 153051896 /nfs/dbraw/zinc/05/18/96/153051896.db2.gz VTHHEJSTJYULFD-KRWDZBQOSA-N 2 1 276.424 2.211 20 0 CEADMP CN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000192639278 153214186 /nfs/dbraw/zinc/21/41/86/153214186.db2.gz BVMBZOITLUYBND-ZXFUBFMLSA-N 2 1 273.424 2.338 20 0 CEADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000192921131 153225529 /nfs/dbraw/zinc/22/55/29/153225529.db2.gz BZWALDTUWDXVOX-WTUNAVPPSA-N 2 1 254.418 2.262 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000193657527 153234400 /nfs/dbraw/zinc/23/44/00/153234400.db2.gz UCKQAPXVJGYXCJ-GASCZTMLSA-N 2 1 267.376 2.228 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000193657527 153234403 /nfs/dbraw/zinc/23/44/03/153234403.db2.gz UCKQAPXVJGYXCJ-GASCZTMLSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000193657527 153234405 /nfs/dbraw/zinc/23/44/05/153234405.db2.gz UCKQAPXVJGYXCJ-GASCZTMLSA-N 2 1 267.376 2.228 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000193657527 153234408 /nfs/dbraw/zinc/23/44/08/153234408.db2.gz UCKQAPXVJGYXCJ-GASCZTMLSA-N 2 1 267.376 2.228 20 0 CEADMP COCCC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300416880 292281780 /nfs/dbraw/zinc/28/17/80/292281780.db2.gz YPTJZYKNJGRINP-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[NH+]1CCC(NCCC[N@@H+](C)C(C)C)CC1 ZINC000221908186 153311285 /nfs/dbraw/zinc/31/12/85/153311285.db2.gz LYPQRAIBHBGGFN-UHFFFAOYSA-N 2 1 255.450 2.181 20 0 CEADMP CC(C)n1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cn1 ZINC000226241478 153331605 /nfs/dbraw/zinc/33/16/05/153331605.db2.gz IKIVSQAVEIBLPV-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226336732 153335558 /nfs/dbraw/zinc/33/55/58/153335558.db2.gz JOLHLNPUWZBUID-ARFHVFGLSA-N 2 1 297.487 2.377 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226336732 153335561 /nfs/dbraw/zinc/33/55/61/153335561.db2.gz JOLHLNPUWZBUID-ARFHVFGLSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000227297545 153344768 /nfs/dbraw/zinc/34/47/68/153344768.db2.gz SQSMJTFERVECPJ-HYVNUMGLSA-N 2 1 275.440 2.362 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CCCO1 ZINC000313347455 154208471 /nfs/dbraw/zinc/20/84/71/154208471.db2.gz SBQZYWRBSIXZDI-GDBMZVCRSA-N 2 1 260.381 2.114 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000354868518 154353106 /nfs/dbraw/zinc/35/31/06/154353106.db2.gz DMBMODGXGBQTNZ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)OC)CC1)CC1CC1 ZINC000357091888 154376881 /nfs/dbraw/zinc/37/68/81/154376881.db2.gz XGSWAAMUCBLMJN-CQSZACIVSA-N 2 1 296.455 2.382 20 0 CEADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)OC)CC1)CC1CC1 ZINC000357091888 154376886 /nfs/dbraw/zinc/37/68/86/154376886.db2.gz XGSWAAMUCBLMJN-CQSZACIVSA-N 2 1 296.455 2.382 20 0 CEADMP C[C@@H]1CC[N@@H+](CCOCC[NH3+])[C@@H]1c1cccc(F)c1 ZINC000357082443 154377191 /nfs/dbraw/zinc/37/71/91/154377191.db2.gz XAGSQHQOMYRKON-DOMZBBRYSA-N 2 1 266.360 2.184 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1NC[C@@H](CC(C)C)[NH+](C)C ZINC000359437211 155014618 /nfs/dbraw/zinc/01/46/18/155014618.db2.gz JTKJYTROCQKONV-CYBMUJFWSA-N 2 1 293.411 2.068 20 0 CEADMP CCc1ccc([C@H](CO)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000359626262 155086363 /nfs/dbraw/zinc/08/63/63/155086363.db2.gz QXDHBLJDIBNLIY-INIZCTEOSA-N 2 1 273.380 2.077 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000361893725 155700366 /nfs/dbraw/zinc/70/03/66/155700366.db2.gz LDTUWUNTUWDRAU-HRCADAONSA-N 2 1 277.412 2.376 20 0 CEADMP Cc1cc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)nc(C)[nH+]1 ZINC000363944928 156051904 /nfs/dbraw/zinc/05/19/04/156051904.db2.gz AUNFXNXQNYLHKJ-RDJZCZTQSA-N 2 1 297.406 2.015 20 0 CEADMP Cc1cc(NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc(C)[nH+]1 ZINC000363944928 156051906 /nfs/dbraw/zinc/05/19/06/156051906.db2.gz AUNFXNXQNYLHKJ-RDJZCZTQSA-N 2 1 297.406 2.015 20 0 CEADMP Cc1cncc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000364147506 156065745 /nfs/dbraw/zinc/06/57/45/156065745.db2.gz MAAAYGQUANAYEZ-BRWVUGGUSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cncc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000364147506 156065746 /nfs/dbraw/zinc/06/57/46/156065746.db2.gz MAAAYGQUANAYEZ-BRWVUGGUSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cncc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000364147506 156065747 /nfs/dbraw/zinc/06/57/47/156065747.db2.gz MAAAYGQUANAYEZ-BRWVUGGUSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cncc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000364147506 156065750 /nfs/dbraw/zinc/06/57/50/156065750.db2.gz MAAAYGQUANAYEZ-BRWVUGGUSA-N 2 1 271.408 2.306 20 0 CEADMP CCn1cc(CC[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000367021508 156115571 /nfs/dbraw/zinc/11/55/71/156115571.db2.gz MJRTVSHKVSLAMU-UHFFFAOYSA-N 2 1 290.455 2.253 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCN(CC(F)F)CC1 ZINC000367380377 156177837 /nfs/dbraw/zinc/17/78/37/156177837.db2.gz SFBWYRNRPMQZOL-CQSZACIVSA-N 2 1 289.414 2.134 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCN(CC(F)F)CC1 ZINC000367380377 156177839 /nfs/dbraw/zinc/17/78/39/156177839.db2.gz SFBWYRNRPMQZOL-CQSZACIVSA-N 2 1 289.414 2.134 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCN(CC(F)F)CC1 ZINC000367380377 156177845 /nfs/dbraw/zinc/17/78/45/156177845.db2.gz SFBWYRNRPMQZOL-CQSZACIVSA-N 2 1 289.414 2.134 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCN(CC(F)F)CC1 ZINC000367380377 156177850 /nfs/dbraw/zinc/17/78/50/156177850.db2.gz SFBWYRNRPMQZOL-CQSZACIVSA-N 2 1 289.414 2.134 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4COC4)[C@@H]3C2)cc1 ZINC000367685305 156225256 /nfs/dbraw/zinc/22/52/56/156225256.db2.gz KEFWCAXZMMNJIO-JQHSSLGASA-N 2 1 286.419 2.276 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4COC4)[C@@H]3C2)cc1 ZINC000367685305 156225262 /nfs/dbraw/zinc/22/52/62/156225262.db2.gz KEFWCAXZMMNJIO-JQHSSLGASA-N 2 1 286.419 2.276 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000367823065 156242621 /nfs/dbraw/zinc/24/26/21/156242621.db2.gz NVPNSJUTTQSZTG-MRXNPFEDSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000367823065 156242624 /nfs/dbraw/zinc/24/26/24/156242624.db2.gz NVPNSJUTTQSZTG-MRXNPFEDSA-N 2 1 277.412 2.330 20 0 CEADMP CCOC1CC2(C1)CC[N@@H+](CC[C@H]1CCC[NH+]1C)C2 ZINC000368605601 156374630 /nfs/dbraw/zinc/37/46/30/156374630.db2.gz BOVPXXMQFSXDEN-QQFBHYJXSA-N 2 1 266.429 2.362 20 0 CEADMP CCOC1CC2(C1)CC[NH+](CC[C@H]1CCC[N@@H+]1C)C2 ZINC000368605601 156374634 /nfs/dbraw/zinc/37/46/34/156374634.db2.gz BOVPXXMQFSXDEN-QQFBHYJXSA-N 2 1 266.429 2.362 20 0 CEADMP CCOC1CC2(C1)CC[NH+](CC[C@H]1CCC[N@H+]1C)C2 ZINC000368605601 156374637 /nfs/dbraw/zinc/37/46/37/156374637.db2.gz BOVPXXMQFSXDEN-QQFBHYJXSA-N 2 1 266.429 2.362 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc3n2CCCC3)[C@@H](C)C1 ZINC000375272691 157069815 /nfs/dbraw/zinc/06/98/15/157069815.db2.gz RPMMVPHAMBLDEF-DZGCQCFKSA-N 2 1 276.428 2.039 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnc3n2CCCC3)[C@@H](C)C1 ZINC000375272691 157069818 /nfs/dbraw/zinc/06/98/18/157069818.db2.gz RPMMVPHAMBLDEF-DZGCQCFKSA-N 2 1 276.428 2.039 20 0 CEADMP COCC[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375471484 157100607 /nfs/dbraw/zinc/10/06/07/157100607.db2.gz QJWVPZLYMFAVOZ-HZPDHXFCSA-N 2 1 262.397 2.306 20 0 CEADMP C[N@H+](CCCCF)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375628702 157116559 /nfs/dbraw/zinc/11/65/59/157116559.db2.gz DHCJDROZLZWNJP-KRWDZBQOSA-N 2 1 294.414 2.305 20 0 CEADMP C[N@@H+](CCCCF)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375628702 157116562 /nfs/dbraw/zinc/11/65/62/157116562.db2.gz DHCJDROZLZWNJP-KRWDZBQOSA-N 2 1 294.414 2.305 20 0 CEADMP C[NH+](CCCCF)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000375628702 157116565 /nfs/dbraw/zinc/11/65/65/157116565.db2.gz DHCJDROZLZWNJP-KRWDZBQOSA-N 2 1 294.414 2.305 20 0 CEADMP C[NH+](CCCCF)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000375628702 157116569 /nfs/dbraw/zinc/11/65/69/157116569.db2.gz DHCJDROZLZWNJP-KRWDZBQOSA-N 2 1 294.414 2.305 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2cnccn2)CC1 ZINC000375673729 157126074 /nfs/dbraw/zinc/12/60/74/157126074.db2.gz QXDHMIJNVUSMBZ-HNNXBMFYSA-N 2 1 274.412 2.140 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(C2CC2)CCOCC1 ZINC000375701394 157128358 /nfs/dbraw/zinc/12/83/58/157128358.db2.gz NGHUAFPRALGEMX-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCO3)[C@@H]2CCC[C@H]21 ZINC000375852590 157154522 /nfs/dbraw/zinc/15/45/22/157154522.db2.gz NWVGITOGWIIUIS-SOUVJXGZSA-N 2 1 288.391 2.378 20 0 CEADMP CCc1ccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000376157101 157191086 /nfs/dbraw/zinc/19/10/86/157191086.db2.gz KDYXBXIBLQQFPT-FBVQUNGASA-N 2 1 288.435 2.497 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)CCCCCC[NH3+])C1 ZINC000166349955 162351656 /nfs/dbraw/zinc/35/16/56/162351656.db2.gz GWCPWDDGJMQZMU-HNNXBMFYSA-N 2 1 283.460 2.132 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000168643526 162369261 /nfs/dbraw/zinc/36/92/61/162369261.db2.gz UJRJSNBYJFLZRY-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000168642236 162369759 /nfs/dbraw/zinc/36/97/59/162369759.db2.gz FWQXQKKSDYVLPB-ZIAGYGMSSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CC1 ZINC000177325419 287018710 /nfs/dbraw/zinc/01/87/10/287018710.db2.gz JTQVTQJONURIOC-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCCC1 ZINC000178522656 287024147 /nfs/dbraw/zinc/02/41/47/287024147.db2.gz VYCKCSNDRYYUKU-CYBMUJFWSA-N 2 1 254.418 2.002 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@]2(C)CCCO2)[C@H](C)C1 ZINC000167046795 165035701 /nfs/dbraw/zinc/03/57/01/165035701.db2.gz DFZDMDISXAQJFZ-ZACQAIPSSA-N 2 1 298.471 2.282 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000173745565 165084066 /nfs/dbraw/zinc/08/40/66/165084066.db2.gz SURFQAKNYZMESF-CQSZACIVSA-N 2 1 261.413 2.136 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)C2CCC2)CC1 ZINC000178004785 165218312 /nfs/dbraw/zinc/21/83/12/165218312.db2.gz GUQAYKZQMPRLHR-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000284392658 196045819 /nfs/dbraw/zinc/04/58/19/196045819.db2.gz PHDBCBDQQRLULH-ZDUSSCGKSA-N 2 1 276.428 2.206 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000284392658 196045821 /nfs/dbraw/zinc/04/58/21/196045821.db2.gz PHDBCBDQQRLULH-ZDUSSCGKSA-N 2 1 276.428 2.206 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+](C)C)o1 ZINC000037213711 173034045 /nfs/dbraw/zinc/03/40/45/173034045.db2.gz KTKLXPGUXISDQN-UHFFFAOYSA-N 2 1 262.357 2.019 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2c(c1)CCO2 ZINC000037256189 173066650 /nfs/dbraw/zinc/06/66/50/173066650.db2.gz LYFBAHAUYIFPGP-LBPRGKRZSA-N 2 1 260.381 2.366 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1F ZINC000038041210 174042212 /nfs/dbraw/zinc/04/22/12/174042212.db2.gz VMCRQLQLRXREID-SNVBAGLBSA-N 2 1 252.333 2.237 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC2CC[NH+](C(C)C)CC2)C1 ZINC000040620929 174354868 /nfs/dbraw/zinc/35/48/68/174354868.db2.gz VYWLZEPNHWHFNE-OAHLLOKOSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000040620929 174354870 /nfs/dbraw/zinc/35/48/70/174354870.db2.gz VYWLZEPNHWHFNE-OAHLLOKOSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000040620929 174354871 /nfs/dbraw/zinc/35/48/71/174354871.db2.gz VYWLZEPNHWHFNE-OAHLLOKOSA-N 3 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000040667162 174367124 /nfs/dbraw/zinc/36/71/24/174367124.db2.gz UJKFATNYZFCCBG-YRGRVCCFSA-N 2 1 276.380 2.234 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000040667162 174367126 /nfs/dbraw/zinc/36/71/26/174367126.db2.gz UJKFATNYZFCCBG-YRGRVCCFSA-N 2 1 276.380 2.234 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000040736077 174389311 /nfs/dbraw/zinc/38/93/11/174389311.db2.gz DXZYDDYZAFUVCX-IOASZLSFSA-N 2 1 262.397 2.253 20 0 CEADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)[C@@H]1C[NH3+] ZINC000070177578 414768649 /nfs/dbraw/zinc/76/86/49/414768649.db2.gz HSIODKIGOAGTPK-SWLSCSKDSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)[C@@H]1C[NH3+] ZINC000070177578 414768653 /nfs/dbraw/zinc/76/86/53/414768653.db2.gz HSIODKIGOAGTPK-SWLSCSKDSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@@H](CC[N@@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000071149161 414771001 /nfs/dbraw/zinc/77/10/01/414771001.db2.gz CBYLGWJMCGZEMC-INIZCTEOSA-N 2 1 275.440 2.017 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000070356992 414771121 /nfs/dbraw/zinc/77/11/21/414771121.db2.gz TYBUOOYESDLZPQ-GZBFAFLISA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)CCO1 ZINC000070362059 414772555 /nfs/dbraw/zinc/77/25/55/414772555.db2.gz RJYUVGZPHNRVCJ-ZFWWWQNUSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)CCO1 ZINC000070362059 414772560 /nfs/dbraw/zinc/77/25/60/414772560.db2.gz RJYUVGZPHNRVCJ-ZFWWWQNUSA-N 2 1 254.418 2.408 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121025750 414786065 /nfs/dbraw/zinc/78/60/65/414786065.db2.gz VYWNBOXYKMVGOT-KKUMJFAQSA-N 2 1 264.413 2.018 20 0 CEADMP CC[C@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000122711070 414792218 /nfs/dbraw/zinc/79/22/18/414792218.db2.gz ZQDZVXFBUOEGST-WFASDCNBSA-N 2 1 266.360 2.264 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000405212911 414792658 /nfs/dbraw/zinc/79/26/58/414792658.db2.gz IVCWTBCAOOTTKT-HIFRSBDPSA-N 2 1 264.417 2.413 20 0 CEADMP CCO[C@@H]1C[N@@H+](CC[C@H](C)c2ccccc2)C[C@H]1C[NH3+] ZINC000405297728 414793747 /nfs/dbraw/zinc/79/37/47/414793747.db2.gz LRYVEJYVIUXBMK-USXIJHARSA-N 2 1 276.424 2.476 20 0 CEADMP CCO[C@@H]1C[N@@H+](CC[C@@H](C)c2ccccc2)C[C@H]1C[NH3+] ZINC000405297725 414794337 /nfs/dbraw/zinc/79/43/37/414794337.db2.gz LRYVEJYVIUXBMK-DJIMGWMZSA-N 2 1 276.424 2.476 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CCO1 ZINC000123838237 414795247 /nfs/dbraw/zinc/79/52/47/414795247.db2.gz SVIKJPHPSFBDAH-MAZHCROVSA-N 2 1 260.381 2.112 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CCO1 ZINC000123838237 414795253 /nfs/dbraw/zinc/79/52/53/414795253.db2.gz SVIKJPHPSFBDAH-MAZHCROVSA-N 2 1 260.381 2.112 20 0 CEADMP CCO[C@@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000405833827 414796278 /nfs/dbraw/zinc/79/62/78/414796278.db2.gz BVNYDLAKOVGPCA-LXTVHRRPSA-N 2 1 254.418 2.108 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccc3nc(C)ccc3c2)C[C@H]1C[NH3+] ZINC000405582457 414796487 /nfs/dbraw/zinc/79/64/87/414796487.db2.gz KMKAGICIAFXUFK-SJLPKXTDSA-N 2 1 299.418 2.339 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1cc(F)cc(Br)c1 ZINC000133225080 414826036 /nfs/dbraw/zinc/82/60/36/414826036.db2.gz DNIYPGOQVWIXPW-UHFFFAOYSA-N 2 1 275.165 2.369 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cc(F)cc(Br)c1 ZINC000133225080 414826041 /nfs/dbraw/zinc/82/60/41/414826041.db2.gz DNIYPGOQVWIXPW-UHFFFAOYSA-N 2 1 275.165 2.369 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNCc1cnc2n1CCC2 ZINC000657292981 414837447 /nfs/dbraw/zinc/83/74/47/414837447.db2.gz HJPHUFWOSGKIRW-CQSZACIVSA-N 2 1 276.428 2.183 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnc2n1CCC2 ZINC000657292981 414837454 /nfs/dbraw/zinc/83/74/54/414837454.db2.gz HJPHUFWOSGKIRW-CQSZACIVSA-N 2 1 276.428 2.183 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnc2n1CCC2 ZINC000657292981 414837458 /nfs/dbraw/zinc/83/74/58/414837458.db2.gz HJPHUFWOSGKIRW-CQSZACIVSA-N 2 1 276.428 2.183 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657294295 414839068 /nfs/dbraw/zinc/83/90/68/414839068.db2.gz MALQYIAQTHRIRA-KRWDZBQOSA-N 2 1 290.407 2.038 20 0 CEADMP COCC[NH+](CCOC)C1CC[NH+](CCC=C(C)C)CC1 ZINC000660543860 414867591 /nfs/dbraw/zinc/86/75/91/414867591.db2.gz GXRLRNHZAHGXMF-UHFFFAOYSA-N 2 1 298.471 2.402 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657312180 414852137 /nfs/dbraw/zinc/85/21/37/414852137.db2.gz DTQYFRIIKBXMEG-GASCZTMLSA-N 2 1 290.455 2.287 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657312180 414852144 /nfs/dbraw/zinc/85/21/44/414852144.db2.gz DTQYFRIIKBXMEG-GASCZTMLSA-N 2 1 290.455 2.287 20 0 CEADMP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)[C@H](O)C(F)(F)F ZINC000660524297 414859473 /nfs/dbraw/zinc/85/94/73/414859473.db2.gz ARZPKBKXXGBYKW-SRVKXCTJSA-N 2 1 282.350 2.008 20 0 CEADMP Cc1cccc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000660658610 414921226 /nfs/dbraw/zinc/92/12/26/414921226.db2.gz HWWKNBJQBJHONM-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP C([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCSC1 ZINC000663344435 414921190 /nfs/dbraw/zinc/92/11/90/414921190.db2.gz TWNPOKCZQQAZQG-HUUCEWRRSA-N 2 1 268.470 2.451 20 0 CEADMP C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663344013 414921445 /nfs/dbraw/zinc/92/14/45/414921445.db2.gz MCMMSCZTQWBIQZ-KURKYZTESA-N 2 1 291.483 2.325 20 0 CEADMP C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344013 414921452 /nfs/dbraw/zinc/92/14/52/414921452.db2.gz MCMMSCZTQWBIQZ-KURKYZTESA-N 2 1 291.483 2.325 20 0 CEADMP C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344013 414921462 /nfs/dbraw/zinc/92/14/62/414921462.db2.gz MCMMSCZTQWBIQZ-KURKYZTESA-N 2 1 291.483 2.325 20 0 CEADMP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663344013 414921463 /nfs/dbraw/zinc/92/14/63/414921463.db2.gz MCMMSCZTQWBIQZ-KURKYZTESA-N 3 1 291.483 2.325 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663344013 414921469 /nfs/dbraw/zinc/92/14/69/414921469.db2.gz MCMMSCZTQWBIQZ-KURKYZTESA-N 3 1 291.483 2.325 20 0 CEADMP C([NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344013 414921474 /nfs/dbraw/zinc/92/14/74/414921474.db2.gz MCMMSCZTQWBIQZ-KURKYZTESA-N 3 1 291.483 2.325 20 0 CEADMP C([NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344013 414921479 /nfs/dbraw/zinc/92/14/79/414921479.db2.gz MCMMSCZTQWBIQZ-KURKYZTESA-N 3 1 291.483 2.325 20 0 CEADMP COC[C@H](C)Oc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000657423532 414927421 /nfs/dbraw/zinc/92/74/21/414927421.db2.gz JWTPHXUCPHAHLM-HNNXBMFYSA-N 2 1 292.423 2.286 20 0 CEADMP Cn1c[nH+]cc1CCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678345 414932873 /nfs/dbraw/zinc/93/28/73/414932873.db2.gz SGKIIDJNQYKOJP-UHFFFAOYSA-N 2 1 298.434 2.217 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C1(CCO)CCCC1 ZINC000660682731 414934167 /nfs/dbraw/zinc/93/41/67/414934167.db2.gz SALDRNMQVLZJLF-UHFFFAOYSA-N 2 1 265.401 2.257 20 0 CEADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000657434393 414934319 /nfs/dbraw/zinc/93/43/19/414934319.db2.gz HJQWFBWAZPCBMZ-ILXRZTDVSA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000657434393 414934322 /nfs/dbraw/zinc/93/43/22/414934322.db2.gz HJQWFBWAZPCBMZ-ILXRZTDVSA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657348093 414876650 /nfs/dbraw/zinc/87/66/50/414876650.db2.gz KBOZPSNYPOYQDC-CQSZACIVSA-N 2 1 276.428 2.039 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657348093 414876658 /nfs/dbraw/zinc/87/66/58/414876658.db2.gz KBOZPSNYPOYQDC-CQSZACIVSA-N 2 1 276.428 2.039 20 0 CEADMP CC(C)n1ccnc1CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000657448568 414942652 /nfs/dbraw/zinc/94/26/52/414942652.db2.gz LNFAVLUATGZOHI-OAHLLOKOSA-N 2 1 294.443 2.055 20 0 CEADMP CC[C@H](C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)[NH+](CC)CC ZINC000654309519 414899417 /nfs/dbraw/zinc/89/94/17/414899417.db2.gz AWMSVAOIJIYLSO-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CCOCc3ccccc3)C2)C1 ZINC000660617215 414900620 /nfs/dbraw/zinc/90/06/20/414900620.db2.gz UPCXGNJLSVLYKW-KRWDZBQOSA-N 2 1 274.408 2.231 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000657526260 414988819 /nfs/dbraw/zinc/98/88/19/414988819.db2.gz FEBOYGFGHJXQQG-SOUVJXGZSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657526260 414988823 /nfs/dbraw/zinc/98/88/23/414988823.db2.gz FEBOYGFGHJXQQG-SOUVJXGZSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657526260 414988828 /nfs/dbraw/zinc/98/88/28/414988828.db2.gz FEBOYGFGHJXQQG-SOUVJXGZSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)N1CC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657526260 414988834 /nfs/dbraw/zinc/98/88/34/414988834.db2.gz FEBOYGFGHJXQQG-SOUVJXGZSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)N1CC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657526260 414988838 /nfs/dbraw/zinc/98/88/38/414988838.db2.gz FEBOYGFGHJXQQG-SOUVJXGZSA-N 2 1 265.445 2.076 20 0 CEADMP CN(C[C@H]1CCC[N@@H+](C)C1)c1[nH+]ccc2[nH]ccc21 ZINC000663613743 414998209 /nfs/dbraw/zinc/99/82/09/414998209.db2.gz IXCZFVKTAAUWDB-LBPRGKRZSA-N 2 1 258.369 2.341 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@H]1C[C@H]1C ZINC000657596053 415017460 /nfs/dbraw/zinc/01/74/60/415017460.db2.gz LCMCUYHVGXNNCP-NONVJHHQSA-N 2 1 288.435 2.387 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CC1 ZINC000657596858 415018265 /nfs/dbraw/zinc/01/82/65/415018265.db2.gz ZTGAFJGWVBBOCT-GUYCJALGSA-N 2 1 274.408 2.141 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@H](C)[C@@H](C)[NH3+])C1CCCCC1 ZINC000653200585 414945279 /nfs/dbraw/zinc/94/52/79/414945279.db2.gz JMIYHPMRUFJXEG-ZIAGYGMSSA-N 2 1 283.460 2.131 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468278 414964038 /nfs/dbraw/zinc/96/40/38/414964038.db2.gz LHABGSFMZFIRTH-RDJZCZTQSA-N 2 1 290.455 2.373 20 0 CEADMP C([NH2+][C@@H]1CCCOCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663470268 414965225 /nfs/dbraw/zinc/96/52/25/414965225.db2.gz UHYLVPNZKVYGJK-HZPDHXFCSA-N 2 1 266.429 2.267 20 0 CEADMP CC1(C)CCC[N@H+]1CCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657487439 414967118 /nfs/dbraw/zinc/96/71/18/414967118.db2.gz UVDWEVRGSXUHSB-UHFFFAOYSA-N 2 1 299.422 2.231 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)c1ccc(OC)cc1 ZINC000653598355 415049117 /nfs/dbraw/zinc/04/91/17/415049117.db2.gz WTXXYWABRPAXFX-HOCLYGCPSA-N 2 1 280.412 2.049 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1ccc(OC)cc1 ZINC000653598355 415049121 /nfs/dbraw/zinc/04/91/21/415049121.db2.gz WTXXYWABRPAXFX-HOCLYGCPSA-N 2 1 280.412 2.049 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657694017 415049233 /nfs/dbraw/zinc/04/92/33/415049233.db2.gz JKPIKHZKEFZNQV-GVDBMIGSSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000653600607 415051668 /nfs/dbraw/zinc/05/16/68/415051668.db2.gz JFFDRFRSWCHRBN-ZBFHGGJFSA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000653600607 415051670 /nfs/dbraw/zinc/05/16/70/415051670.db2.gz JFFDRFRSWCHRBN-ZBFHGGJFSA-N 2 1 264.413 2.267 20 0 CEADMP CN(C[C@@H]1CCc2[nH+]ccn2C1)c1[nH+]ccc2[nH]ccc21 ZINC000663826385 415062132 /nfs/dbraw/zinc/06/21/32/415062132.db2.gz QTRMOWCHKXKXTG-LBPRGKRZSA-N 2 1 281.363 2.458 20 0 CEADMP NC(=O)CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000657799052 415085808 /nfs/dbraw/zinc/08/58/08/415085808.db2.gz UTBJXPXFXSVPGN-LSDHHAIUSA-N 2 1 293.455 2.029 20 0 CEADMP CCO[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@H]1C ZINC000653747882 415091656 /nfs/dbraw/zinc/09/16/56/415091656.db2.gz NZOSTIDRUHYCJR-UKRRQHHQSA-N 2 1 265.401 2.100 20 0 CEADMP CCO[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1C ZINC000653747882 415091658 /nfs/dbraw/zinc/09/16/58/415091658.db2.gz NZOSTIDRUHYCJR-UKRRQHHQSA-N 2 1 265.401 2.100 20 0 CEADMP Cc1cc(CO)cc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)[nH+]1 ZINC000663709342 415024218 /nfs/dbraw/zinc/02/42/18/415024218.db2.gz NQLUSYGIECOKDT-AWEZNQCLSA-N 2 1 277.412 2.272 20 0 CEADMP Cc1cc(CO)cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)[nH+]1 ZINC000663709342 415024224 /nfs/dbraw/zinc/02/42/24/415024224.db2.gz NQLUSYGIECOKDT-AWEZNQCLSA-N 2 1 277.412 2.272 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCSCC1 ZINC000657847129 415104928 /nfs/dbraw/zinc/10/49/28/415104928.db2.gz UFPPHOZNWWBDEG-ZDUSSCGKSA-N 2 1 253.415 2.457 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C(C)(C)C(F)F ZINC000657847093 415105088 /nfs/dbraw/zinc/10/50/88/415105088.db2.gz RTXXKNQDRNGYBV-LLVKDONJSA-N 2 1 278.387 2.103 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000044530546 175194725 /nfs/dbraw/zinc/19/47/25/175194725.db2.gz KLDJRKCOUBDDLX-OAHLLOKOSA-N 2 1 270.380 2.043 20 0 CEADMP CC[C@@H](COCC1CC1)[NH2+]C1CC[NH+](CC)CC1 ZINC000658090289 415202028 /nfs/dbraw/zinc/20/20/28/415202028.db2.gz IBJMDHHVSJXZTB-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](CCNc1[nH+]c2ccc(F)cc2n1C)[NH+](C)C ZINC000664246917 415241440 /nfs/dbraw/zinc/24/14/40/415241440.db2.gz ZKUCQIPQRIMVKI-SNVBAGLBSA-N 2 1 264.348 2.465 20 0 CEADMP CC(C)(C)OCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658185314 415252947 /nfs/dbraw/zinc/25/29/47/415252947.db2.gz BKDXKEMGYUGDJK-UHFFFAOYSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)(F)CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658190683 415254351 /nfs/dbraw/zinc/25/43/51/415254351.db2.gz PLXNSDZHWMIGOZ-AWEZNQCLSA-N 2 1 272.408 2.358 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2c(C3CC3)cnn2C)[C@H](C)C1 ZINC000658213571 415258262 /nfs/dbraw/zinc/25/82/62/415258262.db2.gz QZLHQTJMDFPLAU-DOMZBBRYSA-N 2 1 276.428 2.117 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(C3CC3)cnn2C)[C@H](C)C1 ZINC000658213571 415258269 /nfs/dbraw/zinc/25/82/69/415258269.db2.gz QZLHQTJMDFPLAU-DOMZBBRYSA-N 2 1 276.428 2.117 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C3CC3)cnn2C)[C@H](C)C1 ZINC000658213571 415258274 /nfs/dbraw/zinc/25/82/74/415258274.db2.gz QZLHQTJMDFPLAU-DOMZBBRYSA-N 2 1 276.428 2.117 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cnccc2C)[C@@H](C)C1 ZINC000658125077 415221421 /nfs/dbraw/zinc/22/14/21/415221421.db2.gz KKHMKHHNUMKRBS-GOEBONIOSA-N 2 1 261.413 2.252 20 0 CEADMP CC(C)[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658146003 415231559 /nfs/dbraw/zinc/23/15/59/415231559.db2.gz SVIKZQKEMRXZET-WMLDXEAASA-N 2 1 276.424 2.387 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661492893 415289849 /nfs/dbraw/zinc/28/98/49/415289849.db2.gz SRLHURHDDWHHKD-GASCZTMLSA-N 2 1 254.418 2.077 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C2CCCCC2)C1 ZINC000661577458 415336129 /nfs/dbraw/zinc/33/61/29/415336129.db2.gz BFMDAGLCGDENLN-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000661577458 415336136 /nfs/dbraw/zinc/33/61/36/415336136.db2.gz BFMDAGLCGDENLN-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000661577458 415336143 /nfs/dbraw/zinc/33/61/43/415336143.db2.gz BFMDAGLCGDENLN-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655726833 415415557 /nfs/dbraw/zinc/41/55/57/415415557.db2.gz QCVUYJVLJAVLFD-UKRRQHHQSA-N 2 1 254.418 2.121 20 0 CEADMP C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)CC1CC1 ZINC000655729072 415418990 /nfs/dbraw/zinc/41/89/90/415418990.db2.gz DTBMWBGFDDEOTE-MRXNPFEDSA-N 2 1 266.429 2.410 20 0 CEADMP CN(C)c1cc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc[nH+]1 ZINC000659285875 415490152 /nfs/dbraw/zinc/49/01/52/415490152.db2.gz STPYHVCXWIOLHB-HNNXBMFYSA-N 2 1 296.374 2.321 20 0 CEADMP CCOCC(C)(C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655768362 415448663 /nfs/dbraw/zinc/44/86/63/415448663.db2.gz WZTOKSHBEOMNIY-INIZCTEOSA-N 2 1 298.471 2.282 20 0 CEADMP FC1(F)CCC[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655771723 415451060 /nfs/dbraw/zinc/45/10/60/415451060.db2.gz CWRQVZJLVKPTOW-JSGCOSHPSA-N 2 1 288.382 2.265 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000655776387 415455010 /nfs/dbraw/zinc/45/50/10/415455010.db2.gz IUDGCXLEKQMYBA-IWCQGFGOSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1cc2n(n1)CCCC2)C1CC1 ZINC000655793474 415472664 /nfs/dbraw/zinc/47/26/64/415472664.db2.gz XWLLKYAMPFKGAI-UHFFFAOYSA-N 2 1 276.428 2.183 20 0 CEADMP CC[NH+]1CCC(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655848152 415515363 /nfs/dbraw/zinc/51/53/63/415515363.db2.gz GCLDILVLXXLCMT-HOTGVXAUSA-N 2 1 265.445 2.077 20 0 CEADMP C[N@@H+](CCc1noc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000655938582 415558247 /nfs/dbraw/zinc/55/82/47/415558247.db2.gz YPWIDMCTHWAQKD-CYBMUJFWSA-N 2 1 273.380 2.444 20 0 CEADMP C[C@H]1C[N@@H+](CCc2noc3ccccc32)CC[C@H]1[NH3+] ZINC000655938560 415558386 /nfs/dbraw/zinc/55/83/86/415558386.db2.gz XXTAYBZKRAIGCR-WCQYABFASA-N 2 1 259.353 2.039 20 0 CEADMP c1ccc2c(CC[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)noc2c1 ZINC000655941561 415559915 /nfs/dbraw/zinc/55/99/15/415559915.db2.gz XCXYXBUEDDQJIH-OKILXGFUSA-N 2 1 285.391 2.302 20 0 CEADMP CCO[C@@H]1C[N@H+](CCCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000655942246 415560601 /nfs/dbraw/zinc/56/06/01/415560601.db2.gz NYQBBNDGYVHLFS-MLGOLLRUSA-N 2 1 298.377 2.193 20 0 CEADMP CCO[C@@H]1C[N@@H+](CCCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000655942246 415560607 /nfs/dbraw/zinc/56/06/07/415560607.db2.gz NYQBBNDGYVHLFS-MLGOLLRUSA-N 2 1 298.377 2.193 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000661999343 415566190 /nfs/dbraw/zinc/56/61/90/415566190.db2.gz UIFCJKKOGULQGN-VXGQWTEUSA-N 2 1 274.424 2.194 20 0 CEADMP COC1([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CCC1 ZINC000665219617 415628703 /nfs/dbraw/zinc/62/87/03/415628703.db2.gz WXLYLMXWCAMSGN-CHWSQXEVSA-N 2 1 265.401 2.375 20 0 CEADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)C1 ZINC000656200841 415636061 /nfs/dbraw/zinc/63/60/61/415636061.db2.gz RQRFRHMTRFQXAP-NOXHYTERSA-N 2 1 259.397 2.061 20 0 CEADMP Cc1nc(C)c(C)c(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000656210265 415643297 /nfs/dbraw/zinc/64/32/97/415643297.db2.gz CCBUPSFQKZQCEZ-UTUOFQBUSA-N 2 1 292.427 2.311 20 0 CEADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCCOCC2)cc1 ZINC000665250891 415651754 /nfs/dbraw/zinc/65/17/54/415651754.db2.gz BDJSTWCESGWVAR-BRWVUGGUSA-N 2 1 274.408 2.291 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)[C@@H]1CCC[NH2+]1 ZINC000665263352 415656589 /nfs/dbraw/zinc/65/65/89/415656589.db2.gz LBFYEZFGACCFNJ-HJWJTTGWSA-N 2 1 274.408 2.289 20 0 CEADMP CO[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000665275001 415668381 /nfs/dbraw/zinc/66/83/81/415668381.db2.gz AJUMCNWVKOJZSC-SNPRPXQTSA-N 2 1 254.418 2.312 20 0 CEADMP Cc1ccc([C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C2CC2)cc1 ZINC000665291792 415679754 /nfs/dbraw/zinc/67/97/54/415679754.db2.gz LHOLMGWXWHCCHR-KRWDZBQOSA-N 2 1 298.390 2.190 20 0 CEADMP CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(F)c1 ZINC000665292846 415680458 /nfs/dbraw/zinc/68/04/58/415680458.db2.gz KOLFAYUTDNVFFS-CYBMUJFWSA-N 2 1 290.342 2.021 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000665297446 415684186 /nfs/dbraw/zinc/68/41/86/415684186.db2.gz GAHCJTKBNFKWBD-YNEHKIRRSA-N 2 1 280.412 2.393 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299370 415688856 /nfs/dbraw/zinc/68/88/56/415688856.db2.gz LQMGSYSQMMZGFN-YESZJQIVSA-N 3 1 279.472 2.216 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299370 415688864 /nfs/dbraw/zinc/68/88/64/415688864.db2.gz LQMGSYSQMMZGFN-YESZJQIVSA-N 2 1 279.472 2.216 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299370 415688871 /nfs/dbraw/zinc/68/88/71/415688871.db2.gz LQMGSYSQMMZGFN-YESZJQIVSA-N 2 1 279.472 2.216 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@@H]1CCOC1 ZINC000665254055 415651914 /nfs/dbraw/zinc/65/19/14/415651914.db2.gz GVQHANXILFBMHO-LBRJOISOSA-N 2 1 292.398 2.286 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000662254409 415721318 /nfs/dbraw/zinc/72/13/18/415721318.db2.gz QGBOBSMNOIJDNX-XJKSGUPXSA-N 2 1 274.408 2.332 20 0 CEADMP CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C)c1cccc(O)c1 ZINC000662253964 415722033 /nfs/dbraw/zinc/72/20/33/415722033.db2.gz ZUZFTFHEQDRVAF-CJNGLKHVSA-N 2 1 290.407 2.296 20 0 CEADMP CC(C)[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256325 415723155 /nfs/dbraw/zinc/72/31/55/415723155.db2.gz UZVITHAOVUGDDH-UONOGXRCSA-N 2 1 252.402 2.018 20 0 CEADMP CN(Cc1cccc2c1CC[NH2+]C2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000662260723 415727581 /nfs/dbraw/zinc/72/75/81/415727581.db2.gz BGPBZNCWHRJDPZ-KRWDZBQOSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCN(C2CC2)C1 ZINC000662260723 415727586 /nfs/dbraw/zinc/72/75/86/415727586.db2.gz BGPBZNCWHRJDPZ-KRWDZBQOSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCN(C2CC2)C1 ZINC000662260723 415727589 /nfs/dbraw/zinc/72/75/89/415727589.db2.gz BGPBZNCWHRJDPZ-KRWDZBQOSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC1=CCSC1 ZINC000662269799 415733976 /nfs/dbraw/zinc/73/39/76/415733976.db2.gz IDFPZZIURWDQFU-AWEZNQCLSA-N 2 1 254.443 2.466 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1=CCSC1 ZINC000662269799 415733980 /nfs/dbraw/zinc/73/39/80/415733980.db2.gz IDFPZZIURWDQFU-AWEZNQCLSA-N 2 1 254.443 2.466 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1=CCSC1 ZINC000662269799 415733986 /nfs/dbraw/zinc/73/39/86/415733986.db2.gz IDFPZZIURWDQFU-AWEZNQCLSA-N 2 1 254.443 2.466 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1=CCSC1 ZINC000662269799 415733988 /nfs/dbraw/zinc/73/39/88/415733988.db2.gz IDFPZZIURWDQFU-AWEZNQCLSA-N 2 1 254.443 2.466 20 0 CEADMP FC1(F)C[C@@H]1OCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662273565 415739289 /nfs/dbraw/zinc/73/92/89/415739289.db2.gz OLQMMMLSKWIYDF-IHRRRGAJSA-N 2 1 288.382 2.122 20 0 CEADMP Cc1nocc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662272974 415739565 /nfs/dbraw/zinc/73/95/65/415739565.db2.gz JCIYLQLSGHNJEP-ZIAGYGMSSA-N 2 1 263.385 2.195 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1CC[NH3+])C1CCCC1 ZINC000662273152 415740323 /nfs/dbraw/zinc/74/03/23/415740323.db2.gz LVJBZUJJXSBCLZ-HUUCEWRRSA-N 2 1 254.418 2.395 20 0 CEADMP [NH3+]C[C@@H](NCc1cccc2c1CC[NH2+]C2)C1CCCCC1 ZINC000662276333 415741575 /nfs/dbraw/zinc/74/15/75/415741575.db2.gz HKQSRJUSRDIHOR-GOSISDBHSA-N 2 1 287.451 2.330 20 0 CEADMP CC(C)OC1CC([N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000656504313 415743608 /nfs/dbraw/zinc/74/36/08/415743608.db2.gz ZTDQRDUDWNXGQY-NFOMZHRRSA-N 2 1 277.412 2.333 20 0 CEADMP CC(C)OC1CC([N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000656504313 415743616 /nfs/dbraw/zinc/74/36/16/415743616.db2.gz ZTDQRDUDWNXGQY-NFOMZHRRSA-N 2 1 277.412 2.333 20 0 CEADMP CO[C@H](C[NH2+][C@@H](C[NH3+])C1CCCCC1)C1CCC1 ZINC000662277989 415745308 /nfs/dbraw/zinc/74/53/08/415745308.db2.gz VQZGRALDJDBBSI-LSDHHAIUSA-N 2 1 254.418 2.299 20 0 CEADMP CO[C@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)c1ccccc1 ZINC000662276866 415745724 /nfs/dbraw/zinc/74/57/24/415745724.db2.gz MEEWQCLKPIHNSJ-ZIAGYGMSSA-N 2 1 250.386 2.337 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)CCCO1 ZINC000662280296 415746372 /nfs/dbraw/zinc/74/63/72/415746372.db2.gz CFTLNDJPCHMKDO-CVEARBPZSA-N 2 1 274.408 2.156 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)C1CCCC1 ZINC000662280160 415746478 /nfs/dbraw/zinc/74/64/78/415746478.db2.gz CYXRSGAKNGNPOD-NWANDNLSSA-N 2 1 254.418 2.108 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)C1CCC1 ZINC000662282646 415748289 /nfs/dbraw/zinc/74/82/89/415748289.db2.gz IMOSSXJVTFSFFT-MYZSUADSSA-N 2 1 254.418 2.107 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)C1CCCC1 ZINC000662273700 415738108 /nfs/dbraw/zinc/73/81/08/415738108.db2.gz YRZIRCBQLXKJAV-DZGCQCFKSA-N 2 1 254.418 2.252 20 0 CEADMP CCc1nnc([C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)[nH]1 ZINC000662296420 415760302 /nfs/dbraw/zinc/76/03/02/415760302.db2.gz ZRLRGXPNVAORGO-OCCSQVGLSA-N 2 1 291.443 2.140 20 0 CEADMP CCc1noc([C@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662299019 415763300 /nfs/dbraw/zinc/76/33/00/415763300.db2.gz ZHBBGFQQVQYKDE-JSGCOSHPSA-N 2 1 292.427 2.405 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000662299186 415763516 /nfs/dbraw/zinc/76/35/16/415763516.db2.gz LQYJKMIVBMBKLM-KRWDZBQOSA-N 2 1 276.424 2.139 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000662299186 415763520 /nfs/dbraw/zinc/76/35/20/415763520.db2.gz LQYJKMIVBMBKLM-KRWDZBQOSA-N 2 1 276.424 2.139 20 0 CEADMP C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662300723 415764576 /nfs/dbraw/zinc/76/45/76/415764576.db2.gz HWTTVWNBNZIZQP-RDTXWAMCSA-N 2 1 288.435 2.315 20 0 CEADMP COc1cccc([C@@]2(C)CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)c1 ZINC000662310634 415772660 /nfs/dbraw/zinc/77/26/60/415772660.db2.gz LYHUEBWISGNTHU-YOEHRIQHSA-N 2 1 274.408 2.268 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)n1 ZINC000662316677 415773658 /nfs/dbraw/zinc/77/36/58/415773658.db2.gz LVYPCIPTWQIAHI-GFCCVEGCSA-N 2 1 278.400 2.276 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H](C3CCC3)C2)n1 ZINC000662316677 415773662 /nfs/dbraw/zinc/77/36/62/415773662.db2.gz LVYPCIPTWQIAHI-GFCCVEGCSA-N 2 1 278.400 2.276 20 0 CEADMP C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C)C2)[C@@H]1CCC[NH3+] ZINC000662314475 415774128 /nfs/dbraw/zinc/77/41/28/415774128.db2.gz DPLYNECOMJNRBT-ARFHVFGLSA-N 2 1 295.471 2.084 20 0 CEADMP CC(C)n1ncnc1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662314104 415775370 /nfs/dbraw/zinc/77/53/70/415775370.db2.gz BYZJGJAMKVFUCD-ZIAGYGMSSA-N 2 1 279.432 2.198 20 0 CEADMP COc1cccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662318253 415777409 /nfs/dbraw/zinc/77/74/09/415777409.db2.gz YITSXFNBPMMOCU-QGZVFWFLSA-N 2 1 292.423 2.238 20 0 CEADMP COc1cccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662318253 415777414 /nfs/dbraw/zinc/77/74/14/415777414.db2.gz YITSXFNBPMMOCU-QGZVFWFLSA-N 2 1 292.423 2.238 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C1CCC1 ZINC000662284329 415751525 /nfs/dbraw/zinc/75/15/25/415751525.db2.gz MNHVSCKLMIYEDS-YLFCFFPRSA-N 2 1 296.455 2.162 20 0 CEADMP C[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)CCc2ccc(Cl)cc21 ZINC000662283594 415752530 /nfs/dbraw/zinc/75/25/30/415752530.db2.gz BENLKCMDPSGPST-DOMZBBRYSA-N 2 1 294.826 2.290 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293168 415754388 /nfs/dbraw/zinc/75/43/88/415754388.db2.gz KFMPOZWDGAXVOA-GOSISDBHSA-N 3 1 293.499 2.478 20 0 CEADMP C[N@@H+](CCCOCCc1ccccc1)CC(C)(C)[NH3+] ZINC000662292401 415754650 /nfs/dbraw/zinc/75/46/50/415754650.db2.gz GXKIBSFIXKXQBG-UHFFFAOYSA-N 2 1 264.413 2.305 20 0 CEADMP CCc1nnc([C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)[nH]1 ZINC000662296421 415758484 /nfs/dbraw/zinc/75/84/84/415758484.db2.gz ZRLRGXPNVAORGO-TZMCWYRMSA-N 2 1 291.443 2.140 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H]2C=CCCC2)CCO1 ZINC000662318912 415779499 /nfs/dbraw/zinc/77/94/99/415779499.db2.gz AWPFMBWXJKFAGR-HUUCEWRRSA-N 2 1 252.402 2.138 20 0 CEADMP CO[C@@H](CC(C)C)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325421 415782634 /nfs/dbraw/zinc/78/26/34/415782634.db2.gz GFBKALFSIFPOBX-CVEARBPZSA-N 2 1 286.460 2.090 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCC(C)(C)C)CCO1 ZINC000662324121 415782890 /nfs/dbraw/zinc/78/28/90/415782890.db2.gz VCJAKSKXSUJHIH-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CC2=CCSC2)cc1 ZINC000662326705 415784194 /nfs/dbraw/zinc/78/41/94/415784194.db2.gz AOVRWQAPUGGBCY-OAHLLOKOSA-N 2 1 292.448 2.343 20 0 CEADMP c1cc2c(nc[nH+]c2N2CCC[C@H](C3CC[NH2+]CC3)C2)[nH]1 ZINC000656609949 415785142 /nfs/dbraw/zinc/78/51/42/415785142.db2.gz XCIAIRVCXAMUDK-ZDUSSCGKSA-N 2 1 285.395 2.174 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC2CC1(c1ccccc1)C2 ZINC000662331369 415785473 /nfs/dbraw/zinc/78/54/73/415785473.db2.gz GVVIERRGSWYIMK-NXYGQSRBSA-N 2 1 288.435 2.309 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC2CC1(c1ccccc1)C2 ZINC000662331369 415785477 /nfs/dbraw/zinc/78/54/77/415785477.db2.gz GVVIERRGSWYIMK-NXYGQSRBSA-N 2 1 288.435 2.309 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662331369 415785483 /nfs/dbraw/zinc/78/54/83/415785483.db2.gz GVVIERRGSWYIMK-NXYGQSRBSA-N 2 1 288.435 2.309 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662331369 415785486 /nfs/dbraw/zinc/78/54/86/415785486.db2.gz GVVIERRGSWYIMK-NXYGQSRBSA-N 2 1 288.435 2.309 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)C1CCCCC1 ZINC000659925140 415785959 /nfs/dbraw/zinc/78/59/59/415785959.db2.gz IKJVHEBOSCNXLA-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@H]([NH2+]C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000662343037 415790300 /nfs/dbraw/zinc/79/03/00/415790300.db2.gz NXPBDWBQLSIXEA-KBPBESRZSA-N 2 1 297.830 2.057 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000659949258 415800327 /nfs/dbraw/zinc/80/03/27/415800327.db2.gz SIFYFWSZLMLQOI-BBWFWOEESA-N 2 1 281.488 2.238 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN(C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000659949258 415800333 /nfs/dbraw/zinc/80/03/33/415800333.db2.gz SIFYFWSZLMLQOI-BBWFWOEESA-N 2 1 281.488 2.238 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN(C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000659949258 415800337 /nfs/dbraw/zinc/80/03/37/415800337.db2.gz SIFYFWSZLMLQOI-BBWFWOEESA-N 2 1 281.488 2.238 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CCC[C@H]1C ZINC000659953108 415802636 /nfs/dbraw/zinc/80/26/36/415802636.db2.gz SISLKFSGVNASCT-KFWWJZLASA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000659953108 415802640 /nfs/dbraw/zinc/80/26/40/415802640.db2.gz SISLKFSGVNASCT-KFWWJZLASA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000659953108 415802645 /nfs/dbraw/zinc/80/26/45/415802645.db2.gz SISLKFSGVNASCT-KFWWJZLASA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000662386480 415818301 /nfs/dbraw/zinc/81/83/01/415818301.db2.gz ASPSRPIJFKJTTL-OAGGEKHMSA-N 2 1 297.487 2.234 20 0 CEADMP CC(C)=CCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000660074850 415872622 /nfs/dbraw/zinc/87/26/22/415872622.db2.gz SBQQFJDMFSKMDL-MRXNPFEDSA-N 2 1 265.445 2.055 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662592242 415895943 /nfs/dbraw/zinc/89/59/43/415895943.db2.gz IIDDKHKFEJLDEP-KBPBESRZSA-N 2 1 297.487 2.247 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662591913 415896508 /nfs/dbraw/zinc/89/65/08/415896508.db2.gz HBFSDNAJTJNBBE-GJZGRUSLSA-N 2 1 297.487 2.234 20 0 CEADMP c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000656785110 415859621 /nfs/dbraw/zinc/85/96/21/415859621.db2.gz IQXVOSPQXCHSMX-CYBMUJFWSA-N 2 1 265.426 2.355 20 0 CEADMP CCn1ccnc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785126 415860357 /nfs/dbraw/zinc/86/03/57/415860357.db2.gz JCIYWBFTVIXJIG-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP CCn1ccnc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656785974 415862116 /nfs/dbraw/zinc/86/21/16/415862116.db2.gz OQGVCOSNVQPDDO-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP COc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1OC ZINC000656788081 415862432 /nfs/dbraw/zinc/86/24/32/415862432.db2.gz ANNNGJMPRXRTPN-UHFFFAOYSA-N 2 1 264.369 2.065 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000656791505 415863419 /nfs/dbraw/zinc/86/34/19/415863419.db2.gz IDTOSUJDQNLDIJ-BZUAXINKSA-N 2 1 266.429 2.267 20 0 CEADMP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C[C@@H]2CCSC2)cc1 ZINC000656789178 415863856 /nfs/dbraw/zinc/86/38/56/415863856.db2.gz PRTMPKMQIBBFLG-NUEKZKHPSA-N 2 1 276.449 2.475 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662734338 415948827 /nfs/dbraw/zinc/94/88/27/415948827.db2.gz FMATVQNSOKHUII-OAHLLOKOSA-N 2 1 293.455 2.042 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccnn3C)CC2)[nH+]1 ZINC000192876207 227327417 /nfs/dbraw/zinc/32/74/17/227327417.db2.gz FWDCGZAWVIZHOJ-AWEZNQCLSA-N 2 1 299.422 2.443 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1O ZINC000666770617 419424889 /nfs/dbraw/zinc/42/48/89/419424889.db2.gz NAPGPNHFLMNNGS-UKRRQHHQSA-N 2 1 292.423 2.454 20 0 CEADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C2 ZINC000666770708 419425120 /nfs/dbraw/zinc/42/51/20/419425120.db2.gz SONAXSANDWSCJR-CABCVRRESA-N 2 1 274.408 2.284 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000666798886 419434065 /nfs/dbraw/zinc/43/40/65/419434065.db2.gz PXZSJLMYOPKFIZ-MRXNPFEDSA-N 2 1 289.423 2.042 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(C2CC2)s1 ZINC000666900778 419460348 /nfs/dbraw/zinc/46/03/48/419460348.db2.gz PCNGKDGYDKNISS-LBPRGKRZSA-N 2 1 265.426 2.498 20 0 CEADMP c1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000667498547 419700634 /nfs/dbraw/zinc/70/06/34/419700634.db2.gz MUOOIDDWBVEZNZ-AWEZNQCLSA-N 2 1 298.390 2.268 20 0 CEADMP Cc1[nH+]cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)n1C ZINC000667671405 419768805 /nfs/dbraw/zinc/76/88/05/419768805.db2.gz QRUYJFLWXLCTCL-OAHLLOKOSA-N 2 1 276.428 2.036 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)n(-c2cc[nH+]cc2)n1 ZINC000667694885 419773568 /nfs/dbraw/zinc/77/35/68/419773568.db2.gz BKSCIKBJRCDMGX-YOEHRIQHSA-N 2 1 298.390 2.268 20 0 CEADMP Cc1[nH+]cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1C ZINC000667708799 419776952 /nfs/dbraw/zinc/77/69/52/419776952.db2.gz LHGVCGMNYSHSGM-WMLDXEAASA-N 2 1 288.439 2.177 20 0 CEADMP Cc1[nH+]cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1C ZINC000667708799 419776962 /nfs/dbraw/zinc/77/69/62/419776962.db2.gz LHGVCGMNYSHSGM-WMLDXEAASA-N 2 1 288.439 2.177 20 0 CEADMP CN(Cc1ccnn1C1CCCC1)C[C@@H]1CC[N@@H+](C)C1 ZINC000449263006 260330509 /nfs/dbraw/zinc/33/05/09/260330509.db2.gz GOAGCSAJQYGJSA-CQSZACIVSA-N 2 1 276.428 2.382 20 0 CEADMP FC(F)Oc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427136736 260554075 /nfs/dbraw/zinc/55/40/75/260554075.db2.gz OWOLQQAJDDWKQW-TZMCWYRMSA-N 2 1 282.334 2.472 20 0 CEADMP FC(F)Oc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427136736 260554077 /nfs/dbraw/zinc/55/40/77/260554077.db2.gz OWOLQQAJDDWKQW-TZMCWYRMSA-N 2 1 282.334 2.472 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430571888 263299002 /nfs/dbraw/zinc/29/90/02/263299002.db2.gz DLRJRJMMSWKIRY-YHUYYLMFSA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430571888 263299005 /nfs/dbraw/zinc/29/90/05/263299005.db2.gz DLRJRJMMSWKIRY-YHUYYLMFSA-N 2 1 295.471 2.225 20 0 CEADMP CN(C)c1ncc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)n1C ZINC000425372806 264203326 /nfs/dbraw/zinc/20/33/26/264203326.db2.gz UDVSHCIGVDNAHF-LSDHHAIUSA-N 2 1 274.412 2.107 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](OC)C2CC2)C1 ZINC000425411971 264294481 /nfs/dbraw/zinc/29/44/81/264294481.db2.gz BIZRIVNDBQQOIS-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](OC)C2CC2)C1 ZINC000425411971 264294482 /nfs/dbraw/zinc/29/44/82/264294482.db2.gz BIZRIVNDBQQOIS-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](OC)C2CC2)C1 ZINC000425411971 264294484 /nfs/dbraw/zinc/29/44/84/264294484.db2.gz BIZRIVNDBQQOIS-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@@H](O)Cc3ccccc3)CC[C@H]21 ZINC000425427343 264314416 /nfs/dbraw/zinc/31/44/16/264314416.db2.gz UISDVANYIRAZCQ-OKZBNKHCSA-N 2 1 288.435 2.006 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@@H](O)Cc3ccccc3)CC[C@H]21 ZINC000425427343 264314418 /nfs/dbraw/zinc/31/44/18/264314418.db2.gz UISDVANYIRAZCQ-OKZBNKHCSA-N 2 1 288.435 2.006 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3)CC[C@H]21 ZINC000425427343 264314421 /nfs/dbraw/zinc/31/44/21/264314421.db2.gz UISDVANYIRAZCQ-OKZBNKHCSA-N 2 1 288.435 2.006 20 0 CEADMP COc1ccc(C)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044533445 270229755 /nfs/dbraw/zinc/22/97/55/270229755.db2.gz RFVQKZSMQCDWPX-CQSZACIVSA-N 2 1 262.397 2.435 20 0 CEADMP COc1ccc(C)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044533445 270229756 /nfs/dbraw/zinc/22/97/56/270229756.db2.gz RFVQKZSMQCDWPX-CQSZACIVSA-N 2 1 262.397 2.435 20 0 CEADMP CCCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000322580932 270335003 /nfs/dbraw/zinc/33/50/03/270335003.db2.gz HPWIUALSWWTABI-GOOCMWNKSA-N 2 1 262.401 2.008 20 0 CEADMP CCCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000322580932 270335004 /nfs/dbraw/zinc/33/50/04/270335004.db2.gz HPWIUALSWWTABI-GOOCMWNKSA-N 2 1 262.401 2.008 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000397261619 270352498 /nfs/dbraw/zinc/35/24/98/270352498.db2.gz IPUOOQIFFFHSMW-XEZPLFJOSA-N 2 1 290.407 2.278 20 0 CEADMP C[C@H]1C[C@H](N[C@H]2CC[NH2+]C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000398096492 270355700 /nfs/dbraw/zinc/35/57/00/270355700.db2.gz KPEARTCZFNXLLH-FZCLSBEQSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)CN1Cc1ccccc1 ZINC000398096492 270355702 /nfs/dbraw/zinc/35/57/02/270355702.db2.gz KPEARTCZFNXLLH-FZCLSBEQSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(C)(C)[NH3+] ZINC000398081321 270356365 /nfs/dbraw/zinc/35/63/65/270356365.db2.gz BCSMAKYMEXQBAA-GDBMZVCRSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420328498 270518792 /nfs/dbraw/zinc/51/87/92/270518792.db2.gz MQRLWWVQRYJOBG-KFWWJZLASA-N 2 1 259.397 2.464 20 0 CEADMP c1nn([C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)c2ccccc12 ZINC000420359293 270526174 /nfs/dbraw/zinc/52/61/74/270526174.db2.gz KGYUTGYGDLPVQB-GDBMZVCRSA-N 2 1 284.407 2.283 20 0 CEADMP COc1ccccc1[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000422748160 270752189 /nfs/dbraw/zinc/75/21/89/270752189.db2.gz SGVGMJNYKVIFHT-VNQPRFMTSA-N 2 1 291.439 2.028 20 0 CEADMP CCC[N@@H+](CC)CCN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422826280 270786250 /nfs/dbraw/zinc/78/62/50/270786250.db2.gz QNPORDIKRGNUBV-CYBMUJFWSA-N 2 1 278.444 2.231 20 0 CEADMP CCCN(CC)CC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422826280 270786253 /nfs/dbraw/zinc/78/62/53/270786253.db2.gz QNPORDIKRGNUBV-CYBMUJFWSA-N 2 1 278.444 2.231 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422957149 270807749 /nfs/dbraw/zinc/80/77/49/270807749.db2.gz SCOAFIRTJCXQGH-WWGRRREGSA-N 2 1 262.397 2.356 20 0 CEADMP C[C@H]([NH2+]C[C@](C)(CO)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423083405 270831875 /nfs/dbraw/zinc/83/18/75/270831875.db2.gz YUWDUTKHYLIXJL-CGTJXYLNSA-N 2 1 290.451 2.348 20 0 CEADMP CC[C@@H]([NH2+]CCOCC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423167343 270857113 /nfs/dbraw/zinc/85/71/13/270857113.db2.gz SENWRDPWSZENBT-CABCVRRESA-N 2 1 254.418 2.313 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](COC)c1cccc(Cl)c1 ZINC000423204064 270870146 /nfs/dbraw/zinc/87/01/46/270870146.db2.gz UEWRXXNMKSWNEQ-CYBMUJFWSA-N 2 1 256.777 2.227 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C[C@H]2C1 ZINC000424256087 271035647 /nfs/dbraw/zinc/03/56/47/271035647.db2.gz AHFVGIKYNLTDSV-KSXIZUIISA-N 2 1 278.440 2.264 20 0 CEADMP COC(=O)CC1CC([NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000424269832 271037556 /nfs/dbraw/zinc/03/75/56/271037556.db2.gz PTOASGAUKSLSNX-ZUJMUWTESA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)CC1CC([NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC000424269832 271037558 /nfs/dbraw/zinc/03/75/58/271037558.db2.gz PTOASGAUKSLSNX-ZUJMUWTESA-N 2 1 282.428 2.038 20 0 CEADMP Cc1nccn1CCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424298112 271040942 /nfs/dbraw/zinc/04/09/42/271040942.db2.gz TXMCMKQRTIDMFU-CQSZACIVSA-N 2 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424298112 271040945 /nfs/dbraw/zinc/04/09/45/271040945.db2.gz TXMCMKQRTIDMFU-CQSZACIVSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424298112 271040948 /nfs/dbraw/zinc/04/09/48/271040948.db2.gz TXMCMKQRTIDMFU-CQSZACIVSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000424430292 271054215 /nfs/dbraw/zinc/05/42/15/271054215.db2.gz ZVHGIILQCPKSTO-SWLSCSKDSA-N 2 1 290.411 2.058 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000426313679 271210569 /nfs/dbraw/zinc/21/05/69/271210569.db2.gz NOHKXSHKWWSHOE-FMKPAKJESA-N 2 1 291.414 2.334 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000426313679 271210572 /nfs/dbraw/zinc/21/05/72/271210572.db2.gz NOHKXSHKWWSHOE-FMKPAKJESA-N 2 1 291.414 2.334 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(C)(C)COC)C1 ZINC000426399884 271217852 /nfs/dbraw/zinc/21/78/52/271217852.db2.gz DVBSHRGYXSJEJP-AWEZNQCLSA-N 2 1 256.434 2.323 20 0 CEADMP CCc1ccc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428040432 271240181 /nfs/dbraw/zinc/24/01/81/271240181.db2.gz WGUFVZTXVQFUIL-SJORKVTESA-N 2 1 258.409 2.475 20 0 CEADMP C[N@@H+](CCC[NH3+])CCOc1ccc(C(F)(F)F)cc1 ZINC000430549952 271388141 /nfs/dbraw/zinc/38/81/41/271388141.db2.gz FEXNJVRNVDLSQU-UHFFFAOYSA-N 2 1 276.302 2.365 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000430554771 271390238 /nfs/dbraw/zinc/39/02/38/271390238.db2.gz RIWPLXIGWPBQJT-INIZCTEOSA-N 2 1 277.412 2.450 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCc1nc2ccccc2n1C ZINC000430558825 271390448 /nfs/dbraw/zinc/39/04/48/271390448.db2.gz BNQAIHCRZSVSEP-AWEZNQCLSA-N 2 1 288.439 2.421 20 0 CEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1nc2ccccc2n1C ZINC000430588539 271396833 /nfs/dbraw/zinc/39/68/33/271396833.db2.gz ZUPOVVDNFOVMBC-INIZCTEOSA-N 2 1 274.412 2.079 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000430965136 271417852 /nfs/dbraw/zinc/41/78/52/271417852.db2.gz KIOJJXSNZHOGAZ-RISCZKNCSA-N 2 1 295.814 2.338 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000435882096 271641759 /nfs/dbraw/zinc/64/17/59/271641759.db2.gz XBVDBOFYZQIZHZ-HNNXBMFYSA-N 2 1 250.361 2.442 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1csc(Br)c1 ZINC000397993973 280689146 /nfs/dbraw/zinc/68/91/46/280689146.db2.gz JRRCARCTGGUZPK-QMMMGPOBSA-N 2 1 277.231 2.456 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000334141843 274240826 /nfs/dbraw/zinc/24/08/26/274240826.db2.gz LTBZWRPZYHLDFJ-YPMHNXCESA-N 2 1 271.364 2.110 20 0 CEADMP OCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247961831 275046090 /nfs/dbraw/zinc/04/60/90/275046090.db2.gz GHTBWTOFCVHCEL-ZWKOTPCHSA-N 2 1 288.435 2.355 20 0 CEADMP OCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247961831 275046091 /nfs/dbraw/zinc/04/60/91/275046091.db2.gz GHTBWTOFCVHCEL-ZWKOTPCHSA-N 2 1 288.435 2.355 20 0 CEADMP OCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247961831 275046092 /nfs/dbraw/zinc/04/60/92/275046092.db2.gz GHTBWTOFCVHCEL-ZWKOTPCHSA-N 2 1 288.435 2.355 20 0 CEADMP c1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000335031755 275069550 /nfs/dbraw/zinc/06/95/50/275069550.db2.gz SLRTVXDEBABGBF-NVXWUHKLSA-N 2 1 274.408 2.422 20 0 CEADMP C([NH2+]C1CCCCCC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839562 275394659 /nfs/dbraw/zinc/39/46/59/275394659.db2.gz YVQCSVVPUNZWPP-HUUCEWRRSA-N 2 1 252.402 2.162 20 0 CEADMP C([NH2+]C1CCCCCC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112839562 275394660 /nfs/dbraw/zinc/39/46/60/275394660.db2.gz YVQCSVVPUNZWPP-HUUCEWRRSA-N 2 1 252.402 2.162 20 0 CEADMP C([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@H]1CCCOC1 ZINC000345361372 275394875 /nfs/dbraw/zinc/39/48/75/275394875.db2.gz ZMCKGZVRNZHKAB-MRXNPFEDSA-N 2 1 296.455 2.038 20 0 CEADMP C([C@H]1CCC[N@@H+]([C@H]2CCOC2)C1)[NH+]1CCCCCC1 ZINC000334353091 275397584 /nfs/dbraw/zinc/39/75/84/275397584.db2.gz XVRONAWYNCAXHL-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C([C@H]1CCC[N@H+]([C@H]2CCOC2)C1)[NH+]1CCCCCC1 ZINC000334353091 275397585 /nfs/dbraw/zinc/39/75/85/275397585.db2.gz XVRONAWYNCAXHL-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000184654101 275966676 /nfs/dbraw/zinc/96/66/76/275966676.db2.gz AGCJZCYZMIKKNQ-AWEZNQCLSA-N 2 1 254.418 2.406 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000352177440 276044194 /nfs/dbraw/zinc/04/41/94/276044194.db2.gz BRIBVYWNRNMUMS-JYJNAYRXSA-N 2 1 297.487 2.390 20 0 CEADMP CC1CC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000375848010 276198109 /nfs/dbraw/zinc/19/81/09/276198109.db2.gz CHRMWZCXCGNWLL-BBWFWOEESA-N 2 1 279.472 2.181 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000375848010 276198111 /nfs/dbraw/zinc/19/81/11/276198111.db2.gz CHRMWZCXCGNWLL-BBWFWOEESA-N 2 1 279.472 2.181 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000375848010 276198112 /nfs/dbraw/zinc/19/81/12/276198112.db2.gz CHRMWZCXCGNWLL-BBWFWOEESA-N 2 1 279.472 2.181 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(O)CCCCC2)[C@@H](C)C1 ZINC000304317577 276228172 /nfs/dbraw/zinc/22/81/72/276228172.db2.gz OTSUISQOVGUWSX-KBPBESRZSA-N 2 1 254.418 2.002 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H](C)C[NH+]2CCCCC2)[C@H](C)C1 ZINC000247233932 276229380 /nfs/dbraw/zinc/22/93/80/276229380.db2.gz YLWUHOPHSSTVJV-BBWFWOEESA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)[C@H](C)C1 ZINC000247233932 276229381 /nfs/dbraw/zinc/22/93/81/276229381.db2.gz YLWUHOPHSSTVJV-BBWFWOEESA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)[C@H](C)C1 ZINC000247233932 276229382 /nfs/dbraw/zinc/22/93/82/276229382.db2.gz YLWUHOPHSSTVJV-BBWFWOEESA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2[NH2+]CCc3ccccc32)[C@@H](C)C1 ZINC000414943089 276229750 /nfs/dbraw/zinc/22/97/50/276229750.db2.gz CNAHMRYBSPGQIF-JCGIZDLHSA-N 2 1 287.451 2.193 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000356637587 276230977 /nfs/dbraw/zinc/23/09/77/276230977.db2.gz FGPCPMIVASOPMW-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CC[NH2+]CCN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414835508 276267002 /nfs/dbraw/zinc/26/70/02/276267002.db2.gz UXDBDDARYMYMRK-HOCLYGCPSA-N 2 1 261.413 2.021 20 0 CEADMP CCC[C@H](C)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000180069254 276283203 /nfs/dbraw/zinc/28/32/03/276283203.db2.gz RMFGXQIKSIYMMH-HOTGVXAUSA-N 2 1 267.461 2.134 20 0 CEADMP CC[N@H+]1CC[C@@H](NC2CC([NH+]3CCCCC3)C2)[C@@H](C)C1 ZINC000373465763 276395939 /nfs/dbraw/zinc/39/59/39/276395939.db2.gz MGHYLLNCPOMEQB-ZGRYLRDCSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000305966999 276888330 /nfs/dbraw/zinc/88/83/30/276888330.db2.gz GDZHTTQWTABUAV-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](n2cccn2)C1 ZINC000336799393 277078043 /nfs/dbraw/zinc/07/80/43/277078043.db2.gz IKYBSHFSTZHSGH-LSDHHAIUSA-N 2 1 262.401 2.004 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000336799393 277078044 /nfs/dbraw/zinc/07/80/44/277078044.db2.gz IKYBSHFSTZHSGH-LSDHHAIUSA-N 2 1 262.401 2.004 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000336799393 277078045 /nfs/dbraw/zinc/07/80/45/277078045.db2.gz IKYBSHFSTZHSGH-LSDHHAIUSA-N 2 1 262.401 2.004 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000341379498 277183678 /nfs/dbraw/zinc/18/36/78/277183678.db2.gz UFWJOFMNIDEWOT-BPCQOVAHSA-N 2 1 294.361 2.011 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000341379498 277183679 /nfs/dbraw/zinc/18/36/79/277183679.db2.gz UFWJOFMNIDEWOT-BPCQOVAHSA-N 2 1 294.361 2.011 20 0 CEADMP C[NH2+]CCCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000263254706 277266403 /nfs/dbraw/zinc/26/64/03/277266403.db2.gz KPXOUJZNCUMKFB-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C(C)C)nc2sc(C)nn12 ZINC000414841936 277274669 /nfs/dbraw/zinc/27/46/69/277274669.db2.gz OKKPREYVMXBHLR-SNVBAGLBSA-N 2 1 295.456 2.168 20 0 CEADMP CO[C@H](C)[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000359907091 277325463 /nfs/dbraw/zinc/32/54/63/277325463.db2.gz GKJVPKKGOFLQRG-LXTVHRRPSA-N 2 1 256.434 2.367 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]1C ZINC000353915720 277326171 /nfs/dbraw/zinc/32/61/71/277326171.db2.gz NWVCPSXVVPXMPN-HOSILWTGSA-N 2 1 294.439 2.038 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@H](C)C1CCCCC1 ZINC000154311117 277622402 /nfs/dbraw/zinc/62/24/02/277622402.db2.gz WIRZDRWKNHLVEK-NFAWXSAZSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000252178444 277983572 /nfs/dbraw/zinc/98/35/72/277983572.db2.gz SLSJOGGTWYNTGF-DABQJJPHSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCO1 ZINC000353395479 278013217 /nfs/dbraw/zinc/01/32/17/278013217.db2.gz PTLQJWXXFKDFKC-LJIZCISZSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)[C@H](C)O1 ZINC000414278142 278013250 /nfs/dbraw/zinc/01/32/50/278013250.db2.gz HPFRXJHJOBEPBG-XDSHMYFISA-N 2 1 254.418 2.118 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)C2 ZINC000414928578 278035929 /nfs/dbraw/zinc/03/59/29/278035929.db2.gz MVQODXLTIJYHRP-NOLJZWGESA-N 2 1 274.408 2.140 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@]1(C)CCCO1 ZINC000340185907 278274631 /nfs/dbraw/zinc/27/46/31/278274631.db2.gz FOPHAODUJCRVLF-LJISPDSOSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]1CCCC[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128490473 278338015 /nfs/dbraw/zinc/33/80/15/278338015.db2.gz CEAKNGYYQUHTIB-JKSUJKDBSA-N 2 1 267.461 2.182 20 0 CEADMP CC(C)(C)N1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401028587 278341994 /nfs/dbraw/zinc/34/19/94/278341994.db2.gz ONKWFWILBQUPLN-IIAWOOMASA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000353576007 278494178 /nfs/dbraw/zinc/49/41/78/278494178.db2.gz GOSFSLVOFNXJTE-IIAWOOMASA-N 2 1 289.423 2.066 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC[NH+]1CCCCCC1 ZINC000040767804 288103534 /nfs/dbraw/zinc/10/35/34/288103534.db2.gz WHFQBRVMELMQTC-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353511357 279121536 /nfs/dbraw/zinc/12/15/36/279121536.db2.gz AZMZAJWMDZTOEF-HZMVEIRTSA-N 2 1 282.472 2.494 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000358302273 288107151 /nfs/dbraw/zinc/10/71/51/288107151.db2.gz QAGACSHDIZKFOU-KBUPBQIOSA-N 2 1 266.429 2.406 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@@H+](CC(C)C)CC2)CC1 ZINC000344338148 279258576 /nfs/dbraw/zinc/25/85/76/279258576.db2.gz QLJJGWBDNKZOLY-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCCC[C@@H]1C ZINC000104136542 279266708 /nfs/dbraw/zinc/26/67/08/279266708.db2.gz YWAPDPFIXKSRCC-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000104136542 279266711 /nfs/dbraw/zinc/26/67/11/279266711.db2.gz YWAPDPFIXKSRCC-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000104136542 279266713 /nfs/dbraw/zinc/26/67/13/279266713.db2.gz YWAPDPFIXKSRCC-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374179389 279336573 /nfs/dbraw/zinc/33/65/73/279336573.db2.gz SNEKKDLNYLSQJA-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000344640958 279354690 /nfs/dbraw/zinc/35/46/90/279354690.db2.gz IVWJBKGQKPCZRD-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000353570682 279372881 /nfs/dbraw/zinc/37/28/81/279372881.db2.gz FMWQVXGKELGKAP-WOPDTQHZSA-N 2 1 282.350 2.415 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000311909743 279372870 /nfs/dbraw/zinc/37/28/70/279372870.db2.gz SABZRYOADXZMHG-WQVCFCJDSA-N 2 1 261.413 2.450 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000353570682 279372883 /nfs/dbraw/zinc/37/28/83/279372883.db2.gz FMWQVXGKELGKAP-WOPDTQHZSA-N 2 1 282.350 2.415 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000135296703 280041915 /nfs/dbraw/zinc/04/19/15/280041915.db2.gz ZPCKKTQWDKWAKE-AWEZNQCLSA-N 2 1 299.459 2.221 20 0 CEADMP COCC[N@@H+](C)CCCN[C@H](C)c1cnn(C(C)C)c1C ZINC000191169761 280164235 /nfs/dbraw/zinc/16/42/35/280164235.db2.gz SEYMHXDNIXBUNE-CQSZACIVSA-N 2 1 296.459 2.391 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191169761 280164237 /nfs/dbraw/zinc/16/42/37/280164237.db2.gz SEYMHXDNIXBUNE-CQSZACIVSA-N 2 1 296.459 2.391 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(Br)c1 ZINC000235096041 280221217 /nfs/dbraw/zinc/22/12/17/280221217.db2.gz YRRSABQUFOUUPG-DTWKUNHWSA-N 2 1 257.175 2.447 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCCO1)[NH+]1CCCC1 ZINC000311009687 280254102 /nfs/dbraw/zinc/25/41/02/280254102.db2.gz JSFGKHXTUGMNEX-SOUVJXGZSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000246187017 280278980 /nfs/dbraw/zinc/27/89/80/280278980.db2.gz CSYQMBQXIYLBPW-HRCADAONSA-N 2 1 295.471 2.084 20 0 CEADMP CC[C@@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000337262274 280284725 /nfs/dbraw/zinc/28/47/25/280284725.db2.gz YPZITPLMOXEDAJ-MRXNPFEDSA-N 2 1 267.461 2.277 20 0 CEADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000262187488 280286027 /nfs/dbraw/zinc/28/60/27/280286027.db2.gz XYCDGAPSEXJWKW-ZACQAIPSSA-N 2 1 279.472 2.182 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+](C(C)C)C2)[C@H](C)C1 ZINC000247058191 280319350 /nfs/dbraw/zinc/31/93/50/280319350.db2.gz PIQXPFSYDIWGAX-ZACQAIPSSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](C(C)C)C2)[C@H](C)C1 ZINC000247058191 280319354 /nfs/dbraw/zinc/31/93/54/280319354.db2.gz PIQXPFSYDIWGAX-ZACQAIPSSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](C(C)C)C2)[C@H](C)C1 ZINC000247058191 280319357 /nfs/dbraw/zinc/31/93/57/280319357.db2.gz PIQXPFSYDIWGAX-ZACQAIPSSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](C(C)C)C2)[C@H](C)C1 ZINC000247058191 280319360 /nfs/dbraw/zinc/31/93/60/280319360.db2.gz PIQXPFSYDIWGAX-ZACQAIPSSA-N 3 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](C(C)C)C2)[C@H](C)C1 ZINC000247058191 280319361 /nfs/dbraw/zinc/31/93/61/280319361.db2.gz PIQXPFSYDIWGAX-ZACQAIPSSA-N 3 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)[C@H](C)C1 ZINC000247058191 280319365 /nfs/dbraw/zinc/31/93/65/280319365.db2.gz PIQXPFSYDIWGAX-ZACQAIPSSA-N 3 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)[C@H](C)C1 ZINC000247058191 280319367 /nfs/dbraw/zinc/31/93/67/280319367.db2.gz PIQXPFSYDIWGAX-ZACQAIPSSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC[NH+]1CCCC[C@@H]1C ZINC000247160481 280321868 /nfs/dbraw/zinc/32/18/68/280321868.db2.gz UCQMKEYLSBHVPR-QXSJWSMHSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCC[N@@H+]1CCCC[C@@H]1C ZINC000247160481 280321869 /nfs/dbraw/zinc/32/18/69/280321869.db2.gz UCQMKEYLSBHVPR-QXSJWSMHSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCC[N@H+]1CCCC[C@@H]1C ZINC000247160481 280321870 /nfs/dbraw/zinc/32/18/70/280321870.db2.gz UCQMKEYLSBHVPR-QXSJWSMHSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN1CCCC[C@@H]1C ZINC000247160481 280321871 /nfs/dbraw/zinc/32/18/71/280321871.db2.gz UCQMKEYLSBHVPR-QXSJWSMHSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN1CCCC[C@@H]1C ZINC000247160481 280321872 /nfs/dbraw/zinc/32/18/72/280321872.db2.gz UCQMKEYLSBHVPR-QXSJWSMHSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000247982102 280341582 /nfs/dbraw/zinc/34/15/82/280341582.db2.gz IKWUCPLOIXVBOY-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000247982102 280341583 /nfs/dbraw/zinc/34/15/83/280341583.db2.gz IKWUCPLOIXVBOY-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000247982102 280341584 /nfs/dbraw/zinc/34/15/84/280341584.db2.gz IKWUCPLOIXVBOY-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000247982102 280341585 /nfs/dbraw/zinc/34/15/85/280341585.db2.gz IKWUCPLOIXVBOY-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000247982102 280341586 /nfs/dbraw/zinc/34/15/86/280341586.db2.gz IKWUCPLOIXVBOY-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(N)=O ZINC000248373601 280345043 /nfs/dbraw/zinc/34/50/43/280345043.db2.gz JYWPTOFVNBDHNC-UONOGXRCSA-N 2 1 289.423 2.024 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000248809728 280365442 /nfs/dbraw/zinc/36/54/42/280365442.db2.gz HNTRZOWDSGFAIM-CYGHRXIMSA-N 2 1 290.451 2.217 20 0 CEADMP C[NH+](C)C1CCC(Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000420624179 280814897 /nfs/dbraw/zinc/81/48/97/280814897.db2.gz ISZFLCKMTXBORR-UHFFFAOYSA-N 2 1 259.357 2.243 20 0 CEADMP COC1CCC(C[NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000422828485 280928063 /nfs/dbraw/zinc/92/80/63/280928063.db2.gz BCXZKJACVWJGSZ-PNESKVBLSA-N 2 1 263.385 2.350 20 0 CEADMP C[C@H]([NH2+]Cc1ccccc1OC1CCC1)C1C[NH2+]C1 ZINC000422915447 280963460 /nfs/dbraw/zinc/96/34/60/280963460.db2.gz YHAUOMYBDIKWHV-LBPRGKRZSA-N 2 1 260.381 2.315 20 0 CEADMP Cc1cnccc1CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423010244 280991956 /nfs/dbraw/zinc/99/19/56/280991956.db2.gz FZJAIFSZEAZDON-LBPRGKRZSA-N 2 1 256.353 2.091 20 0 CEADMP FC1(F)CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000423013626 280995609 /nfs/dbraw/zinc/99/56/09/280995609.db2.gz NBMJULBGEYZMNY-BFHYXJOUSA-N 2 1 288.382 2.311 20 0 CEADMP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)[C@H]1CCCCS1 ZINC000423037983 281005008 /nfs/dbraw/zinc/00/50/08/281005008.db2.gz XHEGFCRLRKHBSS-LXTVHRRPSA-N 2 1 284.469 2.019 20 0 CEADMP Cn1c(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])nc2cccc(Cl)c21 ZINC000423046352 281008056 /nfs/dbraw/zinc/00/80/56/281008056.db2.gz DIJWCSNLGZTQRM-PWSUYJOCSA-N 2 1 292.814 2.444 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423054373 281013148 /nfs/dbraw/zinc/01/31/48/281013148.db2.gz UQQWWKCNTGMMCT-WBTNSWJXSA-N 2 1 275.440 2.222 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000423054373 281013149 /nfs/dbraw/zinc/01/31/49/281013149.db2.gz UQQWWKCNTGMMCT-WBTNSWJXSA-N 2 1 275.440 2.222 20 0 CEADMP Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423059684 281014621 /nfs/dbraw/zinc/01/46/21/281014621.db2.gz MONMZBCUTYPSFN-ZFWWWQNUSA-N 2 1 285.391 2.057 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000423060182 281015121 /nfs/dbraw/zinc/01/51/21/281015121.db2.gz HNNJIEUHIMCXBI-ZJUUUORDSA-N 2 1 280.803 2.442 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@H]([NH3+])CC1CCCCC1)C(C)C ZINC000423381898 281027118 /nfs/dbraw/zinc/02/71/18/281027118.db2.gz DCOQJGZWZQDMNQ-OAHLLOKOSA-N 2 1 283.460 2.131 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423446109 281044537 /nfs/dbraw/zinc/04/45/37/281044537.db2.gz NUHCOLSCMZOPPP-WOPDTQHZSA-N 2 1 290.411 2.357 20 0 CEADMP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423447322 281045696 /nfs/dbraw/zinc/04/56/96/281045696.db2.gz DCBZFHBNNIKZIO-UFRBAHOGSA-N 2 1 290.382 2.101 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423465662 281048940 /nfs/dbraw/zinc/04/89/40/281048940.db2.gz MXIMDPIMKCFMSG-HZPDHXFCSA-N 2 1 287.411 2.045 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000423468535 281050288 /nfs/dbraw/zinc/05/02/88/281050288.db2.gz OLSZJSNNHOAWLA-PWSUYJOCSA-N 2 1 252.358 2.092 20 0 CEADMP COCC1CCC([NH2+][C@H](C[NH3+])C2CCCC2)CC1 ZINC000423517468 281061021 /nfs/dbraw/zinc/06/10/21/281061021.db2.gz YWWFASRBRBPOPM-PESDSKBTSA-N 2 1 254.418 2.299 20 0 CEADMP C[NH+](C)CC1CC[NH+](C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424303867 281145091 /nfs/dbraw/zinc/14/50/91/281145091.db2.gz PMEDSIMRZFICIB-INIZCTEOSA-N 3 1 293.430 2.142 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)(C)COC)C[C@H]1C ZINC000426418467 281192210 /nfs/dbraw/zinc/19/22/10/281192210.db2.gz XCLFPQINOPQOGE-ZIAGYGMSSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)(C)COC)C[C@H]1C ZINC000426418467 281192211 /nfs/dbraw/zinc/19/22/11/281192211.db2.gz XCLFPQINOPQOGE-ZIAGYGMSSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)(C)COC)C[C@H]1C ZINC000426418467 281192212 /nfs/dbraw/zinc/19/22/12/281192212.db2.gz XCLFPQINOPQOGE-ZIAGYGMSSA-N 2 1 256.434 2.464 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC(C)(C)COC)C[C@H]1C ZINC000426418465 281192235 /nfs/dbraw/zinc/19/22/35/281192235.db2.gz XCLFPQINOPQOGE-KGLIPLIRSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)(C)COC)C[C@H]1C ZINC000426418465 281192236 /nfs/dbraw/zinc/19/22/36/281192236.db2.gz XCLFPQINOPQOGE-KGLIPLIRSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)(C)COC)C[C@H]1C ZINC000426418465 281192238 /nfs/dbraw/zinc/19/22/38/281192238.db2.gz XCLFPQINOPQOGE-KGLIPLIRSA-N 2 1 256.434 2.464 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH3+])cc2)C[C@@H]1C ZINC000430798346 281277057 /nfs/dbraw/zinc/27/70/57/281277057.db2.gz SYBLRKIVNQMFDC-XJKSGUPXSA-N 2 1 289.423 2.090 20 0 CEADMP C[C@H](CC(=O)Nc1cc[nH+]c(N(C)C)c1)C1CC[NH2+]CC1 ZINC000430999704 281285834 /nfs/dbraw/zinc/28/58/34/281285834.db2.gz AGXUCBAJKDQQCF-GFCCVEGCSA-N 2 1 290.411 2.112 20 0 CEADMP CC(C)[C@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433188434 281376879 /nfs/dbraw/zinc/37/68/79/281376879.db2.gz QSTMAWVAEJXACH-MRXNPFEDSA-N 2 1 291.439 2.416 20 0 CEADMP C[N@H+](Cc1cnn(CC(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435446523 281390245 /nfs/dbraw/zinc/39/02/45/281390245.db2.gz KKOMFQRLJLRBJI-GFCCVEGCSA-N 2 1 290.333 2.019 20 0 CEADMP C[N@@H+](Cc1cnn(CC(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435446523 281390248 /nfs/dbraw/zinc/39/02/48/281390248.db2.gz KKOMFQRLJLRBJI-GFCCVEGCSA-N 2 1 290.333 2.019 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC23CCC3)CCOCC1 ZINC000337532689 282044330 /nfs/dbraw/zinc/04/43/30/282044330.db2.gz WDLMLOVXHGUIAI-CYBMUJFWSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@H](C[NH2+][C@@H](C)CC(=O)N(CC)CC)[NH+]1CCCC1 ZINC000151709261 289064781 /nfs/dbraw/zinc/06/47/81/289064781.db2.gz DXBDOZSYOFLUDW-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000153667791 289119461 /nfs/dbraw/zinc/11/94/61/289119461.db2.gz SJPFBPSOJLGYCW-LXPRWKDFSA-N 2 1 290.451 2.399 20 0 CEADMP CC[N@@H+](CC(=O)NC[C@H]1CCCC[NH+]1CC(C)C)C1CC1 ZINC000154191772 289137717 /nfs/dbraw/zinc/13/77/17/289137717.db2.gz CYEOFLDZRJHMRF-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C)C1CC1 ZINC000154191772 289137718 /nfs/dbraw/zinc/13/77/18/289137718.db2.gz CYEOFLDZRJHMRF-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C)C1CC1 ZINC000154191772 289137719 /nfs/dbraw/zinc/13/77/19/289137719.db2.gz CYEOFLDZRJHMRF-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC([N@H+](C)CCOc2cccc(OC)c2)CC1 ZINC000154915501 289158896 /nfs/dbraw/zinc/15/88/96/289158896.db2.gz LLGALYWPKFDOQQ-UHFFFAOYSA-N 2 1 292.423 2.490 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)CCOc2cccc(OC)c2)CC1 ZINC000154915501 289158901 /nfs/dbraw/zinc/15/89/01/289158901.db2.gz LLGALYWPKFDOQQ-UHFFFAOYSA-N 2 1 292.423 2.490 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000155978608 289187015 /nfs/dbraw/zinc/18/70/15/289187015.db2.gz JRSPRPWVJGJLRH-JYJNAYRXSA-N 2 1 297.487 2.343 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000155978608 289187017 /nfs/dbraw/zinc/18/70/17/289187017.db2.gz JRSPRPWVJGJLRH-JYJNAYRXSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000370705728 289277841 /nfs/dbraw/zinc/27/78/41/289277841.db2.gz IOLZHHYCVJFURL-QXSJWSMHSA-N 2 1 295.471 2.190 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOCC2CCCC2)C1 ZINC000459346807 290123309 /nfs/dbraw/zinc/12/33/09/290123309.db2.gz QLYKXRBFRAVYEE-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOCC2CCCC2)C1 ZINC000459346807 290123311 /nfs/dbraw/zinc/12/33/11/290123311.db2.gz QLYKXRBFRAVYEE-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOCC2CCCC2)C1 ZINC000459346807 290123313 /nfs/dbraw/zinc/12/33/13/290123313.db2.gz QLYKXRBFRAVYEE-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOCC2CCCC2)C1 ZINC000459346807 290123314 /nfs/dbraw/zinc/12/33/14/290123314.db2.gz QLYKXRBFRAVYEE-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459415276 290141506 /nfs/dbraw/zinc/14/15/06/290141506.db2.gz BLIYQBWHAVLOLS-HUUCEWRRSA-N 2 1 274.412 2.316 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC1CC[NH+](C2CC2)CC1 ZINC000459464170 290156584 /nfs/dbraw/zinc/15/65/84/290156584.db2.gz IDFJBIMZILYYPM-LSDHHAIUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](CC[NH2+]C1CCN(C2CC2)CC1)[NH+]1CCCCC1 ZINC000459486746 290162183 /nfs/dbraw/zinc/16/21/83/290162183.db2.gz RYYCVPRGRXDUHC-HNNXBMFYSA-N 2 1 279.472 2.467 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc([S@](C)=O)cc2)C1 ZINC000459721790 290216649 /nfs/dbraw/zinc/21/66/49/290216649.db2.gz AXQRTPBYHPFRPY-QRWLVFNGSA-N 2 1 294.464 2.246 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459766738 290232361 /nfs/dbraw/zinc/23/23/61/290232361.db2.gz MGLVXIUZHYFTII-HUUCEWRRSA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459766738 290232364 /nfs/dbraw/zinc/23/23/64/290232364.db2.gz MGLVXIUZHYFTII-HUUCEWRRSA-N 2 1 266.429 2.219 20 0 CEADMP COC1(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CCCC1 ZINC000459797978 290243870 /nfs/dbraw/zinc/24/38/70/290243870.db2.gz XHRVQQJJXDJZQI-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1-n1cccn1 ZINC000471766863 290282300 /nfs/dbraw/zinc/28/23/00/290282300.db2.gz BPAHBBFLGHIXMO-CQSZACIVSA-N 2 1 295.390 2.499 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCSCCOC)[C@H](C)C1 ZINC000488109676 290378942 /nfs/dbraw/zinc/37/89/42/290378942.db2.gz BUBJDBZKGNBWKP-HUUCEWRRSA-N 2 1 288.501 2.418 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCSCCOC)[C@H](C)C1 ZINC000488109676 290378943 /nfs/dbraw/zinc/37/89/43/290378943.db2.gz BUBJDBZKGNBWKP-HUUCEWRRSA-N 2 1 288.501 2.418 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCSCCOC)[C@H](C)C1 ZINC000488109676 290378944 /nfs/dbraw/zinc/37/89/44/290378944.db2.gz BUBJDBZKGNBWKP-HUUCEWRRSA-N 2 1 288.501 2.418 20 0 CEADMP COC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360027793 293093675 /nfs/dbraw/zinc/09/36/75/293093675.db2.gz AHRFSTRZXBTEEE-QLFBSQMISA-N 2 1 254.418 2.264 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000370478844 293160857 /nfs/dbraw/zinc/16/08/57/293160857.db2.gz XKUJDOYMYVSLJD-OAGGEKHMSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](CCC[NH3+])Cc2ccccc2)CC[NH2+]1 ZINC000414732927 297395610 /nfs/dbraw/zinc/39/56/10/297395610.db2.gz JAUWKTCWZHZBSJ-NVXWUHKLSA-N 3 1 275.440 2.226 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000530213093 298051330 /nfs/dbraw/zinc/05/13/30/298051330.db2.gz UAGKUCUVIPKKEL-WQVCFCJDSA-N 2 1 280.387 2.052 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1c[nH+]ccc1N ZINC000530216403 298052394 /nfs/dbraw/zinc/05/23/94/298052394.db2.gz BFIFHLCVKSRKOE-LLVKDONJSA-N 2 1 281.363 2.232 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ncccc2Cl)C1 ZINC000530219761 298055159 /nfs/dbraw/zinc/05/51/59/298055159.db2.gz QLISLFHBERYTBR-NSHDSACASA-N 2 1 253.777 2.296 20 0 CEADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1OC ZINC000531699725 298116167 /nfs/dbraw/zinc/11/61/67/298116167.db2.gz DXTYKXYACHGPRL-DZGCQCFKSA-N 2 1 292.423 2.176 20 0 CEADMP C[C@H](C(=O)NCC[NH+]1CCCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245201379 298154596 /nfs/dbraw/zinc/15/45/96/298154596.db2.gz IDGKOSAERDUJJP-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000537679034 298217036 /nfs/dbraw/zinc/21/70/36/298217036.db2.gz ONBMLRBJQWNAPS-CVEARBPZSA-N 2 1 268.445 2.342 20 0 CEADMP F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000563155042 298744198 /nfs/dbraw/zinc/74/41/98/298744198.db2.gz ZAUBOENAYPIYGT-FQKPHLNHSA-N 2 1 270.392 2.014 20 0 CEADMP C(C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000566559069 299003225 /nfs/dbraw/zinc/00/32/25/299003225.db2.gz SQWQZNCQCFCMAA-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C[C@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CC2(CCOCC2)O1 ZINC000369376321 300264278 /nfs/dbraw/zinc/26/42/78/300264278.db2.gz UNSLQWQOBVUJIH-HOTGVXAUSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC2(CCOCC2)O1 ZINC000369376321 300264280 /nfs/dbraw/zinc/26/42/80/300264280.db2.gz UNSLQWQOBVUJIH-HOTGVXAUSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC2(CCOCC2)O1 ZINC000369376321 300264283 /nfs/dbraw/zinc/26/42/83/300264283.db2.gz UNSLQWQOBVUJIH-HOTGVXAUSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CC2(CCOCC2)O1 ZINC000369376321 300264285 /nfs/dbraw/zinc/26/42/85/300264285.db2.gz UNSLQWQOBVUJIH-HOTGVXAUSA-N 2 1 296.455 2.131 20 0 CEADMP [NH3+][C@H]1CCC[C@H](NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000517588892 313112164 /nfs/dbraw/zinc/11/21/64/313112164.db2.gz UJDXVLFDLLZKQR-GJZGRUSLSA-N 2 1 297.512 2.208 20 0 CEADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccn1 ZINC000527540480 313183264 /nfs/dbraw/zinc/18/32/64/313183264.db2.gz YTNUGAKQEDZLNI-YESZJQIVSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccn1 ZINC000527540480 313183267 /nfs/dbraw/zinc/18/32/67/313183267.db2.gz YTNUGAKQEDZLNI-YESZJQIVSA-N 2 1 289.423 2.074 20 0 CEADMP C[C@@H]([NH2+]CC1COC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528024863 313227851 /nfs/dbraw/zinc/22/78/51/313227851.db2.gz KYZWOKDUGGVKFE-PBHICJAKSA-N 2 1 274.408 2.133 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(C2CC2)s1 ZINC000570026331 314023314 /nfs/dbraw/zinc/02/33/14/314023314.db2.gz OWMNESBJGGKZRZ-CABZTGNLSA-N 2 1 251.399 2.108 20 0 CEADMP C[NH2+]Cc1noc(-c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000570615129 314048351 /nfs/dbraw/zinc/04/83/51/314048351.db2.gz SSVUYUCRCYINAN-UHFFFAOYSA-N 2 1 272.352 2.052 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccnc2N)CC1 ZINC000571392462 314086908 /nfs/dbraw/zinc/08/69/08/314086908.db2.gz CNSUPXIJMBYWMR-UHFFFAOYSA-N 2 1 276.428 2.216 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2(O)CCC2)cc1F ZINC000576044729 314236579 /nfs/dbraw/zinc/23/65/79/314236579.db2.gz VJEFZWHYFVRILP-UHFFFAOYSA-N 2 1 289.354 2.324 20 0 CEADMP CC[NH+]1CCC(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000576062887 314237803 /nfs/dbraw/zinc/23/78/03/314237803.db2.gz PWZVUEGYXATNAB-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000576696082 314301727 /nfs/dbraw/zinc/30/17/27/314301727.db2.gz CNYGVHPHGMSLTQ-QZTJIDSGSA-N 2 1 290.451 2.158 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000577482124 314381595 /nfs/dbraw/zinc/38/15/95/314381595.db2.gz TYJJRKDHGVROIC-ZBFHGGJFSA-N 2 1 299.422 2.183 20 0 CEADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000382533839 321840961 /nfs/dbraw/zinc/84/09/61/321840961.db2.gz LHUKVWGTKDGBDC-LBPRGKRZSA-N 2 1 275.396 2.438 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000581126261 322370838 /nfs/dbraw/zinc/37/08/38/322370838.db2.gz AAAYOYGLXYXUEZ-WMLDXEAASA-N 2 1 287.407 2.336 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC2(O)CCC(C)(C)CC2)CC1 ZINC000581737695 322421552 /nfs/dbraw/zinc/42/15/52/322421552.db2.gz OPFZQFSKAZRASX-UHFFFAOYSA-N 2 1 298.471 2.018 20 0 CEADMP Cc1n[nH]cc1C1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000584009302 326846450 /nfs/dbraw/zinc/84/64/50/326846450.db2.gz KFEWZRRKDGCFLI-UHFFFAOYSA-N 2 1 273.384 2.103 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000584217362 327065283 /nfs/dbraw/zinc/06/52/83/327065283.db2.gz AAOHTPMWPQIROS-UHFFFAOYSA-N 2 1 264.417 2.004 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000558260568 327084106 /nfs/dbraw/zinc/08/41/06/327084106.db2.gz XJGHZLOZDAGUGP-YQQAZPJKSA-N 2 1 275.440 2.362 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000558260568 327084108 /nfs/dbraw/zinc/08/41/08/327084108.db2.gz XJGHZLOZDAGUGP-YQQAZPJKSA-N 2 1 275.440 2.362 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000584242608 327125947 /nfs/dbraw/zinc/12/59/47/327125947.db2.gz ZYFNWRINBVDSTH-PMPSAXMXSA-N 2 1 267.461 2.214 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000584242608 327125948 /nfs/dbraw/zinc/12/59/48/327125948.db2.gz ZYFNWRINBVDSTH-PMPSAXMXSA-N 3 1 267.461 2.214 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000584242608 327125949 /nfs/dbraw/zinc/12/59/49/327125949.db2.gz ZYFNWRINBVDSTH-PMPSAXMXSA-N 3 1 267.461 2.214 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccncc2Cl)CC1 ZINC000392821474 329030649 /nfs/dbraw/zinc/03/06/49/329030649.db2.gz UIIMWEZKTHHFQN-UHFFFAOYSA-N 2 1 251.761 2.087 20 0 CEADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000156678234 520374688 /nfs/dbraw/zinc/37/46/88/520374688.db2.gz HYIUKVMUPIKJCT-ZFWWWQNUSA-N 2 1 277.412 2.300 20 0 CEADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000156678234 520374694 /nfs/dbraw/zinc/37/46/94/520374694.db2.gz HYIUKVMUPIKJCT-ZFWWWQNUSA-N 2 1 277.412 2.300 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000151778325 520580081 /nfs/dbraw/zinc/58/00/81/520580081.db2.gz OFGMTCYYUANOCT-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP COCCCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150749498 523113241 /nfs/dbraw/zinc/11/32/41/523113241.db2.gz JUXDFKMBGAIEFV-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000049553714 524165969 /nfs/dbraw/zinc/16/59/69/524165969.db2.gz VXUJAQJYUFXFQS-GFCCVEGCSA-N 2 1 273.380 2.370 20 0 CEADMP Cc1ccnc(C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000363782250 525640659 /nfs/dbraw/zinc/64/06/59/525640659.db2.gz UHWRQZPGMWSQEJ-INIZCTEOSA-N 2 1 288.439 2.449 20 0 CEADMP Cc1cc2ncc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c(C)n2n1 ZINC000049553696 525681852 /nfs/dbraw/zinc/68/18/52/525681852.db2.gz DYMTZWZIFRSSLH-WCQYABFASA-N 2 1 289.427 2.337 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCOC(C)C)C1 ZINC000176283587 527836954 /nfs/dbraw/zinc/83/69/54/527836954.db2.gz FIWSVOSTXNHQKS-HNNXBMFYSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCOC(C)C)C1 ZINC000176283587 527836962 /nfs/dbraw/zinc/83/69/62/527836962.db2.gz FIWSVOSTXNHQKS-HNNXBMFYSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCOC(C)C)C1 ZINC000176283587 527836965 /nfs/dbraw/zinc/83/69/65/527836965.db2.gz FIWSVOSTXNHQKS-HNNXBMFYSA-N 2 1 256.434 2.465 20 0 CEADMP CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116396140 528048385 /nfs/dbraw/zinc/04/83/85/528048385.db2.gz XRAMXKSZIGNSKB-ZIAGYGMSSA-N 2 1 285.476 2.199 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](CCCO)CC1)CC1CC1 ZINC000357085758 528430650 /nfs/dbraw/zinc/43/06/50/528430650.db2.gz NTBVGJPCVACZIW-UHFFFAOYSA-N 2 1 268.445 2.203 20 0 CEADMP CC[N@@H+](CCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411225222 528554784 /nfs/dbraw/zinc/55/47/84/528554784.db2.gz MNEZLEWCYITRDV-UHFFFAOYSA-N 2 1 276.424 2.487 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)C(C)C ZINC000411629241 528860228 /nfs/dbraw/zinc/86/02/28/528860228.db2.gz BPAQTVLPZGXEAO-UHFFFAOYSA-N 2 1 294.443 2.024 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)C(C)C ZINC000411629241 528860233 /nfs/dbraw/zinc/86/02/33/528860233.db2.gz BPAQTVLPZGXEAO-UHFFFAOYSA-N 2 1 294.443 2.024 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000414960361 529130526 /nfs/dbraw/zinc/13/05/26/529130526.db2.gz APSNLKYJJQWJGS-MRXNPFEDSA-N 2 1 284.407 2.350 20 0 CEADMP CCc1cccc(F)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357056210 529173546 /nfs/dbraw/zinc/17/35/46/529173546.db2.gz SDGBIXOAQAJOIG-ZIAGYGMSSA-N 2 1 262.372 2.429 20 0 CEADMP CCc1cccc(F)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357056210 529173549 /nfs/dbraw/zinc/17/35/49/529173549.db2.gz SDGBIXOAQAJOIG-ZIAGYGMSSA-N 2 1 262.372 2.429 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CC[C@@H]2C2CC2)CCCO1 ZINC000348301626 538858931 /nfs/dbraw/zinc/85/89/31/538858931.db2.gz LQJFMKVSNXCWJY-BMFZPTHFSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CC[C@@H]2C2CC2)CCCO1 ZINC000348301626 538858935 /nfs/dbraw/zinc/85/89/35/538858935.db2.gz LQJFMKVSNXCWJY-BMFZPTHFSA-N 2 1 266.429 2.266 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125269084 649883233 /nfs/dbraw/zinc/88/32/33/649883233.db2.gz NFNXLBMVQUYUTF-JONQDZQNSA-N 2 1 295.471 2.131 20 0 CEADMP CCCC[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000726695055 574429058 /nfs/dbraw/zinc/42/90/58/574429058.db2.gz BJIWLOLNXISCAG-CQSZACIVSA-N 2 1 281.469 2.426 20 0 CEADMP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000571531321 574464327 /nfs/dbraw/zinc/46/43/27/574464327.db2.gz JGGKUPCSCGBDDX-UAGQMJEPSA-N 2 1 275.440 2.362 20 0 CEADMP CC/C=C(\C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000729337553 574485426 /nfs/dbraw/zinc/48/54/26/574485426.db2.gz GPBBCAZMMFSQSS-WLRTZDKTSA-N 2 1 288.395 2.128 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccnc(N(C)C)c2)CCN1C ZINC000754048826 574521661 /nfs/dbraw/zinc/52/16/61/574521661.db2.gz GSCQEQDBWGZIIO-DZGCQCFKSA-N 2 1 276.428 2.062 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CC)C1 ZINC000732279505 574617594 /nfs/dbraw/zinc/61/75/94/574617594.db2.gz RJTAIXZCNLRNFW-INIZCTEOSA-N 2 1 297.487 2.347 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000732279505 574617596 /nfs/dbraw/zinc/61/75/96/574617596.db2.gz RJTAIXZCNLRNFW-INIZCTEOSA-N 2 1 297.487 2.347 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000732279505 574617597 /nfs/dbraw/zinc/61/75/97/574617597.db2.gz RJTAIXZCNLRNFW-INIZCTEOSA-N 2 1 297.487 2.347 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000741811246 574706648 /nfs/dbraw/zinc/70/66/48/574706648.db2.gz MXKYZYCKVBHQOT-ZWKOTPCHSA-N 2 1 290.451 2.396 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000741811246 574706650 /nfs/dbraw/zinc/70/66/50/574706650.db2.gz MXKYZYCKVBHQOT-ZWKOTPCHSA-N 2 1 290.451 2.396 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000741811245 574706681 /nfs/dbraw/zinc/70/66/81/574706681.db2.gz MXKYZYCKVBHQOT-ROUUACIJSA-N 2 1 290.451 2.396 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000741811245 574706682 /nfs/dbraw/zinc/70/66/82/574706682.db2.gz MXKYZYCKVBHQOT-ROUUACIJSA-N 2 1 290.451 2.396 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000742370603 575017621 /nfs/dbraw/zinc/01/76/21/575017621.db2.gz DLVZAZDASNATPU-FVQBIDKESA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000746667272 575162417 /nfs/dbraw/zinc/16/24/17/575162417.db2.gz GFDJPCQPCKLRHA-FUHWJXTLSA-N 2 1 288.435 2.384 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000746667272 575162418 /nfs/dbraw/zinc/16/24/18/575162418.db2.gz GFDJPCQPCKLRHA-FUHWJXTLSA-N 2 1 288.435 2.384 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000746667272 575162419 /nfs/dbraw/zinc/16/24/19/575162419.db2.gz GFDJPCQPCKLRHA-FUHWJXTLSA-N 2 1 288.435 2.384 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000746667272 575162420 /nfs/dbraw/zinc/16/24/20/575162420.db2.gz GFDJPCQPCKLRHA-FUHWJXTLSA-N 2 1 288.435 2.384 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC000924959984 629297587 /nfs/dbraw/zinc/29/75/87/629297587.db2.gz NDBJHTJAPYTQEX-UONOGXRCSA-N 2 1 256.434 2.103 20 0 CEADMP CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000951214280 614592995 /nfs/dbraw/zinc/59/29/95/614592995.db2.gz HRILBADHFLPYSZ-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000951214280 614592998 /nfs/dbraw/zinc/59/29/98/614592998.db2.gz HRILBADHFLPYSZ-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948553636 614675016 /nfs/dbraw/zinc/67/50/16/614675016.db2.gz JIGDMKQKTOZVSH-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000948553636 614675017 /nfs/dbraw/zinc/67/50/17/614675017.db2.gz JIGDMKQKTOZVSH-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000948553636 614675020 /nfs/dbraw/zinc/67/50/20/614675020.db2.gz JIGDMKQKTOZVSH-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000947851798 614711218 /nfs/dbraw/zinc/71/12/18/614711218.db2.gz AMXPBHYVPQUFQH-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[N@H+](CCC)CC1(C)C ZINC000974652627 614810413 /nfs/dbraw/zinc/81/04/13/614810413.db2.gz FORNSXJUXYHNEQ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974652627 614810415 /nfs/dbraw/zinc/81/04/15/614810415.db2.gz FORNSXJUXYHNEQ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974652627 614810417 /nfs/dbraw/zinc/81/04/17/614810417.db2.gz FORNSXJUXYHNEQ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000963562735 614882459 /nfs/dbraw/zinc/88/24/59/614882459.db2.gz AIVSFVKGOMXTEV-GPANFISMSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000957286923 614980010 /nfs/dbraw/zinc/98/00/10/614980010.db2.gz NMSHFXHVJVYQIF-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000957286923 614980012 /nfs/dbraw/zinc/98/00/12/614980012.db2.gz NMSHFXHVJVYQIF-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000963319898 615076695 /nfs/dbraw/zinc/07/66/95/615076695.db2.gz VGHBMLGBHQTZLN-UYSNPLJNSA-N 2 1 295.471 2.238 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000957782636 615110920 /nfs/dbraw/zinc/11/09/20/615110920.db2.gz LZJAKAVBOSMDTG-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCC(C[NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC000892431198 625388451 /nfs/dbraw/zinc/38/84/51/625388451.db2.gz BCUWSNMEEGDVKT-UHFFFAOYSA-N 3 1 267.461 2.182 20 0 CEADMP Cc1cc(N)nc(NC[C@H](C)[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000892460517 625520850 /nfs/dbraw/zinc/52/08/50/625520850.db2.gz RIJADLYBCOXLMP-ZDUSSCGKSA-N 2 1 285.395 2.300 20 0 CEADMP Cc1cc(N)nc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)[nH+]1 ZINC000892460517 625520856 /nfs/dbraw/zinc/52/08/56/625520856.db2.gz RIJADLYBCOXLMP-ZDUSSCGKSA-N 2 1 285.395 2.300 20 0 CEADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000252710032 622563067 /nfs/dbraw/zinc/56/30/67/622563067.db2.gz FMSJPVIXAPMSEF-KBXIAJHMSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000252710032 622563070 /nfs/dbraw/zinc/56/30/70/622563070.db2.gz FMSJPVIXAPMSEF-KBXIAJHMSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NC1CCCCCC1 ZINC000092277990 622581848 /nfs/dbraw/zinc/58/18/48/622581848.db2.gz LLYSBZLDHMYMJY-CYBMUJFWSA-N 2 1 268.449 2.344 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCCCCO)C1 ZINC000175776437 622865341 /nfs/dbraw/zinc/86/53/41/622865341.db2.gz UAZCEGDURXAAQE-OAHLLOKOSA-N 2 1 256.434 2.203 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(Br)s1 ZINC000070600472 623001760 /nfs/dbraw/zinc/00/17/60/623001760.db2.gz DPQWDHGQOGVWDO-UHFFFAOYSA-N 2 1 263.204 2.338 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000890896508 623050174 /nfs/dbraw/zinc/05/01/74/623050174.db2.gz WQVRZNXTSHVTOY-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@@H]1CC[NH3+] ZINC000846226542 623363485 /nfs/dbraw/zinc/36/34/85/623363485.db2.gz OUPLXKOWSJLJQY-HUUCEWRRSA-N 3 1 255.450 2.345 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261835689 623487634 /nfs/dbraw/zinc/48/76/34/623487634.db2.gz JJNKELWNOFDZKY-AWEZNQCLSA-N 2 1 276.409 2.309 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261835689 623487638 /nfs/dbraw/zinc/48/76/38/623487638.db2.gz JJNKELWNOFDZKY-AWEZNQCLSA-N 2 1 276.409 2.309 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCN(C)C[C@H]1CC(C)C ZINC000933252543 623558666 /nfs/dbraw/zinc/55/86/66/623558666.db2.gz YJLWXXLSAOMQPW-MRXNPFEDSA-N 2 1 278.444 2.244 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCN(C)C[C@H]1CC(C)C ZINC000933252543 623558673 /nfs/dbraw/zinc/55/86/73/623558673.db2.gz YJLWXXLSAOMQPW-MRXNPFEDSA-N 2 1 278.444 2.244 20 0 CEADMP C[C@@]1(Br)C[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000892492679 625659670 /nfs/dbraw/zinc/65/96/70/625659670.db2.gz SKJFXBLFNNEVOE-GXFFZTMASA-N 2 1 287.245 2.376 20 0 CEADMP COc1nccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1F ZINC000891612396 623827821 /nfs/dbraw/zinc/82/78/21/623827821.db2.gz ZEKGCRHNWPMYGM-UHFFFAOYSA-N 2 1 281.375 2.003 20 0 CEADMP C[C@H]1CCCC[C@H]1OCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743155 623989748 /nfs/dbraw/zinc/98/97/48/623989748.db2.gz LIVRTTHCWBBQHX-MWDXBVQZSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H]1CCCC[C@H]1OCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743155 623989752 /nfs/dbraw/zinc/98/97/52/623989752.db2.gz LIVRTTHCWBBQHX-MWDXBVQZSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H]1CCCC[C@H]1OCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933743155 623989756 /nfs/dbraw/zinc/98/97/56/623989756.db2.gz LIVRTTHCWBBQHX-MWDXBVQZSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H]1CCCC[C@H]1OCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933743155 623989758 /nfs/dbraw/zinc/98/97/58/623989758.db2.gz LIVRTTHCWBBQHX-MWDXBVQZSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNc1cc[nH+]cc1CO ZINC000891847654 624018380 /nfs/dbraw/zinc/01/83/80/624018380.db2.gz ZSALHFNKSVEBFE-AWEZNQCLSA-N 2 1 277.412 2.062 20 0 CEADMP CC[C@@H]1COC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926336274 624257752 /nfs/dbraw/zinc/25/77/52/624257752.db2.gz DVHLBIXAJBHFMZ-URGYJCLVSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2OCC3)C1 ZINC000892144703 624354462 /nfs/dbraw/zinc/35/44/62/624354462.db2.gz PEFMKNJZXJQJPY-AWEZNQCLSA-N 2 1 274.408 2.395 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2OCC3)C1 ZINC000892144703 624354466 /nfs/dbraw/zinc/35/44/66/624354466.db2.gz PEFMKNJZXJQJPY-AWEZNQCLSA-N 2 1 274.408 2.395 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3c2OCC3)C1 ZINC000892144703 624354472 /nfs/dbraw/zinc/35/44/72/624354472.db2.gz PEFMKNJZXJQJPY-AWEZNQCLSA-N 2 1 274.408 2.395 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3c2OCC3)C1 ZINC000892144703 624354481 /nfs/dbraw/zinc/35/44/81/624354481.db2.gz PEFMKNJZXJQJPY-AWEZNQCLSA-N 2 1 274.408 2.395 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000892230014 624439804 /nfs/dbraw/zinc/43/98/04/624439804.db2.gz VGOQROPXENQCJG-JSGCOSHPSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000892230014 624439810 /nfs/dbraw/zinc/43/98/10/624439810.db2.gz VGOQROPXENQCJG-JSGCOSHPSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)o1 ZINC000892230014 624439816 /nfs/dbraw/zinc/43/98/16/624439816.db2.gz VGOQROPXENQCJG-JSGCOSHPSA-N 2 1 264.369 2.204 20 0 CEADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)o1 ZINC000892230014 624439828 /nfs/dbraw/zinc/43/98/28/624439828.db2.gz VGOQROPXENQCJG-JSGCOSHPSA-N 2 1 264.369 2.204 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2cnn(-c3ccccc3)n2)CC1 ZINC000262379807 625073680 /nfs/dbraw/zinc/07/36/80/625073680.db2.gz YQKGXEQZGWJNIS-UHFFFAOYSA-N 2 1 299.422 2.089 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000926573381 625138654 /nfs/dbraw/zinc/13/86/54/625138654.db2.gz MFLKOEHWTAKALU-CABCVRRESA-N 2 1 261.413 2.334 20 0 CEADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737239 625927901 /nfs/dbraw/zinc/92/79/01/625927901.db2.gz DJJQZMXCDXSCCD-WTTBNOFXSA-N 2 1 280.456 2.369 20 0 CEADMP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000924576782 627292434 /nfs/dbraw/zinc/29/24/34/627292434.db2.gz BCCOOMOOHPXYAD-WDNDVIMCSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H](C[NH2+]Cc1cnn(C)c1C1CC1)C[NH+]1CCCC1 ZINC000892623751 627319787 /nfs/dbraw/zinc/31/97/87/627319787.db2.gz XHQAPNXBYDNOPO-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CCC(CC)C[N@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000311058776 627359918 /nfs/dbraw/zinc/35/99/18/627359918.db2.gz JLXWOBJZCXSYSV-OAHLLOKOSA-N 2 1 256.434 2.201 20 0 CEADMP CCC(CC)C[N@@H+](CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000311058776 627359923 /nfs/dbraw/zinc/35/99/23/627359923.db2.gz JLXWOBJZCXSYSV-OAHLLOKOSA-N 2 1 256.434 2.201 20 0 CEADMP C[C@H](CO)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000678045892 627693995 /nfs/dbraw/zinc/69/39/95/627693995.db2.gz QKKKWGAAYRGTNQ-XHSDSOJGSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)C[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)N(C)C ZINC000902335934 634597286 /nfs/dbraw/zinc/59/72/86/634597286.db2.gz LGRZXJNDRABNKE-GJZGRUSLSA-N 2 1 269.477 2.331 20 0 CEADMP C[C@H](NCCC[N@@H+](C)C1CCCCC1)c1cnnn1C ZINC000924602764 627745812 /nfs/dbraw/zinc/74/58/12/627745812.db2.gz DIJJHRYKMIHSMB-ZDUSSCGKSA-N 2 1 279.432 2.120 20 0 CEADMP CCc1cc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)nc(CC)n1 ZINC000892840301 627805919 /nfs/dbraw/zinc/80/59/19/627805919.db2.gz OZSBZIUAHDIAQY-OCCSQVGLSA-N 2 1 276.428 2.378 20 0 CEADMP C[NH+](C)CC1(CN[C@H]2CC[NH2+]CC(C)(C)C2)CCCC1 ZINC000902374745 634605653 /nfs/dbraw/zinc/60/56/53/634605653.db2.gz PSPIZAAHFHXDIL-HNNXBMFYSA-N 2 1 281.488 2.476 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1CC(F)(F)C1)C2 ZINC000852108261 627827170 /nfs/dbraw/zinc/82/71/70/627827170.db2.gz YPOIAPUYJCOLDP-CYBMUJFWSA-N 2 1 258.356 2.449 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1CC(F)(F)C1)C2 ZINC000852108261 627827175 /nfs/dbraw/zinc/82/71/75/627827175.db2.gz YPOIAPUYJCOLDP-CYBMUJFWSA-N 2 1 258.356 2.449 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000902352281 634609544 /nfs/dbraw/zinc/60/95/44/634609544.db2.gz KAJROKFBUNDTIF-QWHCGFSZSA-N 2 1 262.401 2.155 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC000902352281 634609548 /nfs/dbraw/zinc/60/95/48/634609548.db2.gz KAJROKFBUNDTIF-QWHCGFSZSA-N 2 1 262.401 2.155 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnn(C)c1C1CC1 ZINC000893028007 627953077 /nfs/dbraw/zinc/95/30/77/627953077.db2.gz BTLSUXURWURFBE-UHFFFAOYSA-N 2 1 287.411 2.372 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902364604 634619300 /nfs/dbraw/zinc/61/93/00/634619300.db2.gz TVWMDIRYCGQOSD-HUUCEWRRSA-N 3 1 267.461 2.086 20 0 CEADMP CCC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902364604 634619302 /nfs/dbraw/zinc/61/93/02/634619302.db2.gz TVWMDIRYCGQOSD-HUUCEWRRSA-N 2 1 267.461 2.086 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902364604 634619303 /nfs/dbraw/zinc/61/93/03/634619303.db2.gz TVWMDIRYCGQOSD-HUUCEWRRSA-N 2 1 267.461 2.086 20 0 CEADMP Cc1cc(N)nc(N[C@H](C)C[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000893098780 628002852 /nfs/dbraw/zinc/00/28/52/628002852.db2.gz CSLORPBBSBCLQX-CYBMUJFWSA-N 2 1 285.395 2.300 20 0 CEADMP Cc1cc(N)nc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)[nH+]1 ZINC000893098780 628002855 /nfs/dbraw/zinc/00/28/55/628002855.db2.gz CSLORPBBSBCLQX-CYBMUJFWSA-N 2 1 285.395 2.300 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C2CCN(C3CC3)CC2)C[C@@H]([NH3+])C1 ZINC000925518355 628066657 /nfs/dbraw/zinc/06/66/57/628066657.db2.gz YCQYYPFVGBGICA-OCCSQVGLSA-N 2 1 265.445 2.109 20 0 CEADMP C[N@H+](CCN[C@H]1C[C@H]([NH3+])C12CCC2)Cc1ccc(F)cc1 ZINC000925529714 628125899 /nfs/dbraw/zinc/12/58/99/628125899.db2.gz GLBRIRIYNLPNPN-HOTGVXAUSA-N 2 1 291.414 2.117 20 0 CEADMP C[N@@H+](CCN[C@H]1C[C@H]([NH3+])C12CCC2)Cc1ccc(F)cc1 ZINC000925529714 628125904 /nfs/dbraw/zinc/12/59/04/628125904.db2.gz GLBRIRIYNLPNPN-HOTGVXAUSA-N 2 1 291.414 2.117 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000925536723 628144456 /nfs/dbraw/zinc/14/44/56/628144456.db2.gz QQYZYJKZLHQTKW-YOEHRIQHSA-N 2 1 284.407 2.145 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000925549772 628196549 /nfs/dbraw/zinc/19/65/49/628196549.db2.gz JCOGKXZAWSSQSX-WMLDXEAASA-N 2 1 284.407 2.145 20 0 CEADMP [NH3+]CCCC[C@H](NCCC[NH3+])c1ccc(F)cc1F ZINC000902391667 634631715 /nfs/dbraw/zinc/63/17/15/634631715.db2.gz ZBGUCYHVIOXNHB-AWEZNQCLSA-N 2 1 271.355 2.073 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCc1cccnc1 ZINC000930677946 628217752 /nfs/dbraw/zinc/21/77/52/628217752.db2.gz SYEZHGKWRKOJIO-UHFFFAOYSA-N 2 1 261.413 2.478 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(-n2ccnc2)cc1 ZINC000902415243 634641422 /nfs/dbraw/zinc/64/14/22/634641422.db2.gz MAWFYBAOXYMTSF-LBPRGKRZSA-N 2 1 256.353 2.014 20 0 CEADMP C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925598235 628276942 /nfs/dbraw/zinc/27/69/42/628276942.db2.gz KHFMYZIEEMUWCM-CQSZACIVSA-N 2 1 291.464 2.439 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(F)nc1 ZINC000189054395 628302535 /nfs/dbraw/zinc/30/25/35/628302535.db2.gz GHPYIQMYVYUOMN-NSHDSACASA-N 2 1 262.332 2.152 20 0 CEADMP CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001026505614 628341846 /nfs/dbraw/zinc/34/18/46/628341846.db2.gz JXHGPCHBENDNTD-FHERZECASA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)C1CCOCC1 ZINC000902428855 634650221 /nfs/dbraw/zinc/65/02/21/634650221.db2.gz BKRXEKXEPRNMQW-GXTWGEPZSA-N 2 1 254.418 2.027 20 0 CEADMP CC(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001026515851 628345385 /nfs/dbraw/zinc/34/53/85/628345385.db2.gz MOTKOGBFISADIN-UYSNPLJNSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccccc1 ZINC000925645784 628345442 /nfs/dbraw/zinc/34/54/42/628345442.db2.gz RCFWZCVHUDWIQV-XRGAULLZSA-N 2 1 262.397 2.216 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC2(C)C)C1(C)C ZINC000902440820 634658600 /nfs/dbraw/zinc/65/86/00/634658600.db2.gz AMCINMRRUFJEQF-RWMBFGLXSA-N 2 1 254.418 2.166 20 0 CEADMP C[C@H]([NH3+])[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000925688207 628497101 /nfs/dbraw/zinc/49/71/01/628497101.db2.gz FHDBVAXLYNOOSD-CJFPBWAHSA-N 2 1 273.424 2.290 20 0 CEADMP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CCCCN1)c1ccccc1 ZINC000925691970 628509809 /nfs/dbraw/zinc/50/98/09/628509809.db2.gz LCOPKUAFJKURDX-JKSUJKDBSA-N 2 1 261.413 2.198 20 0 CEADMP c1cc([C@@H]2C[C@@H]([NH2+][C@H]3CC[NH2+]C34CCC4)CCO2)ccn1 ZINC000925694228 628516189 /nfs/dbraw/zinc/51/61/89/628516189.db2.gz UAVQLYNFFQOHMH-JYJNAYRXSA-N 2 1 287.407 2.176 20 0 CEADMP CC[C@@H](C[C@](C)(O)CC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925702510 628542936 /nfs/dbraw/zinc/54/29/36/628542936.db2.gz AYQFGJKUTGAEDX-LSDHHAIUSA-N 2 1 254.418 2.168 20 0 CEADMP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925704261 628547975 /nfs/dbraw/zinc/54/79/75/628547975.db2.gz DJJLMDWSOXXULI-LSDHHAIUSA-N 2 1 274.412 2.047 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925710628 628558407 /nfs/dbraw/zinc/55/84/07/628558407.db2.gz QFUMXDNYUIDGTR-UHOFOFEASA-N 2 1 288.439 2.164 20 0 CEADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902447825 634671642 /nfs/dbraw/zinc/67/16/42/634671642.db2.gz VWGJCBINZOMCRR-BLLLJJGKSA-N 2 1 290.407 2.324 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516867 628674069 /nfs/dbraw/zinc/67/40/69/628674069.db2.gz DLBGGDWBYGDTSX-WFASDCNBSA-N 2 1 278.444 2.437 20 0 CEADMP OC[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000925731591 628681167 /nfs/dbraw/zinc/68/11/67/628681167.db2.gz UNSGRKHAPWCQIP-DZGCQCFKSA-N 2 1 294.826 2.290 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCc3cccnc3)CC[C@@H]21 ZINC000931546524 628687513 /nfs/dbraw/zinc/68/75/13/628687513.db2.gz LLBIFEZDNFERBX-CVEARBPZSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCc3cccnc3)CC[C@@H]21 ZINC000931546524 628687516 /nfs/dbraw/zinc/68/75/16/628687516.db2.gz LLBIFEZDNFERBX-CVEARBPZSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCc3cccnc3)CC[C@@H]21 ZINC000931546524 628687521 /nfs/dbraw/zinc/68/75/21/628687521.db2.gz LLBIFEZDNFERBX-CVEARBPZSA-N 2 1 259.397 2.040 20 0 CEADMP CCC1([NH3+])CCN([C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000925757769 628733239 /nfs/dbraw/zinc/73/32/39/628733239.db2.gz JKXKEIMFPAGHKE-SOUVJXGZSA-N 2 1 265.445 2.063 20 0 CEADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c(Cl)n1 ZINC000925768275 628760465 /nfs/dbraw/zinc/76/04/65/628760465.db2.gz ZMXQKNZYXRWVBV-GHMZBOCLSA-N 2 1 253.777 2.131 20 0 CEADMP Cc1cc(N)nc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000893589493 628763870 /nfs/dbraw/zinc/76/38/70/628763870.db2.gz JOTBDNWDSRHINM-HNNXBMFYSA-N 2 1 297.406 2.301 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000925773263 628783186 /nfs/dbraw/zinc/78/31/86/628783186.db2.gz BIDDBRMVYDXLOP-OLZOCXBDSA-N 2 1 252.402 2.066 20 0 CEADMP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925781206 628807788 /nfs/dbraw/zinc/80/77/88/628807788.db2.gz ILPMIVTXJVAROZ-NWDGAFQWSA-N 2 1 269.339 2.285 20 0 CEADMP CCCCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(C)C ZINC000902470808 634687098 /nfs/dbraw/zinc/68/70/98/634687098.db2.gz HBWDJPNNFPXDAI-JARUQAPTSA-N 2 1 266.429 2.453 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902469596 634687107 /nfs/dbraw/zinc/68/71/07/634687107.db2.gz YCRFSYRKXKIUCV-JWZBEHFJSA-N 2 1 274.408 2.499 20 0 CEADMP C1CC12CCC([NH2+][C@H]1C[NH2+]CC3(CCOCC3)C1)CC2 ZINC000925789850 628832554 /nfs/dbraw/zinc/83/25/54/628832554.db2.gz BZGSMMQBDFVISA-OAHLLOKOSA-N 2 1 278.440 2.458 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925829468 628921748 /nfs/dbraw/zinc/92/17/48/628921748.db2.gz OLGSFTLKNHSHRY-WYUUTHIRSA-N 2 1 280.334 2.074 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925835737 628933351 /nfs/dbraw/zinc/93/33/51/628933351.db2.gz UCSBQTVCMFSVDI-AGIUHOORSA-N 2 1 293.377 2.133 20 0 CEADMP Cc1nc2c(cccc2CCN[C@H]2C[NH2+]CC[C@@H]2C)o1 ZINC000925840786 628944201 /nfs/dbraw/zinc/94/42/01/628944201.db2.gz XEMAOVQMOGPIGW-FZMZJTMJSA-N 2 1 273.380 2.266 20 0 CEADMP Cc1nc2c(cccc2CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)o1 ZINC000925840786 628944202 /nfs/dbraw/zinc/94/42/02/628944202.db2.gz XEMAOVQMOGPIGW-FZMZJTMJSA-N 2 1 273.380 2.266 20 0 CEADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cncc(F)c1 ZINC000925842360 628945298 /nfs/dbraw/zinc/94/52/98/628945298.db2.gz JFLNWNKFOQKJFC-KCPJHIHWSA-N 2 1 263.360 2.404 20 0 CEADMP CCCC[C@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925848217 628953113 /nfs/dbraw/zinc/95/31/13/628953113.db2.gz CRQKIDOSGXUBPT-HNNXBMFYSA-N 2 1 255.450 2.230 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000902486650 634702532 /nfs/dbraw/zinc/70/25/32/634702532.db2.gz RIOFZKQVBTXFQU-NRSFXHEJSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000902486650 634702539 /nfs/dbraw/zinc/70/25/39/634702539.db2.gz RIOFZKQVBTXFQU-NRSFXHEJSA-N 2 1 287.451 2.224 20 0 CEADMP CCc1onc(C)c1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000925890264 628985289 /nfs/dbraw/zinc/98/52/89/628985289.db2.gz OATDWHSORHYOLG-GWCFXTLKSA-N 2 1 251.374 2.023 20 0 CEADMP Cc1nc(CC2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)no1 ZINC000932241298 628988855 /nfs/dbraw/zinc/98/88/55/628988855.db2.gz BCIOPGPUVKGPQY-HNNXBMFYSA-N 2 1 292.427 2.117 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCCCC[NH2+]2)n1 ZINC000902481349 634699816 /nfs/dbraw/zinc/69/98/16/634699816.db2.gz BYIJDDWWKABMDT-UKRRQHHQSA-N 2 1 277.412 2.143 20 0 CEADMP CCn1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)c(C)n1 ZINC000893854473 629018334 /nfs/dbraw/zinc/01/83/34/629018334.db2.gz AILAXSUIEWBVPP-UHFFFAOYSA-N 2 1 276.428 2.272 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCC(=O)O2)C1 ZINC000821375307 634701375 /nfs/dbraw/zinc/70/13/75/634701375.db2.gz WKZZYJICEFPDDT-OAGGEKHMSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCC(=O)O2)C1 ZINC000821375307 634701377 /nfs/dbraw/zinc/70/13/77/634701377.db2.gz WKZZYJICEFPDDT-OAGGEKHMSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CCC(=O)O2)C1 ZINC000821375307 634701378 /nfs/dbraw/zinc/70/13/78/634701378.db2.gz WKZZYJICEFPDDT-OAGGEKHMSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2CCC(=O)O2)C1 ZINC000821375307 634701379 /nfs/dbraw/zinc/70/13/79/634701379.db2.gz WKZZYJICEFPDDT-OAGGEKHMSA-N 2 1 294.439 2.278 20 0 CEADMP COC[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)C1CCCC1 ZINC000902485307 634701797 /nfs/dbraw/zinc/70/17/97/634701797.db2.gz ZOIINACQYVVFBE-GJZGRUSLSA-N 2 1 254.418 2.313 20 0 CEADMP Cc1ccc2c(C[N@@H+]3CC[C@](C)(C[NH3+])C3)cc(=O)oc2c1 ZINC000261692543 629072835 /nfs/dbraw/zinc/07/28/35/629072835.db2.gz NNOIRLIXNDWOAW-QGZVFWFLSA-N 2 1 286.375 2.272 20 0 CEADMP Cc1ccc2c(C[N@H+]3CC[C@](C)(C[NH3+])C3)cc(=O)oc2c1 ZINC000261692543 629072838 /nfs/dbraw/zinc/07/28/38/629072838.db2.gz NNOIRLIXNDWOAW-QGZVFWFLSA-N 2 1 286.375 2.272 20 0 CEADMP CC(=O)OC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894133428 629157285 /nfs/dbraw/zinc/15/72/85/629157285.db2.gz AQDLKQZOOVIRFD-WMLDXEAASA-N 2 1 290.407 2.050 20 0 CEADMP c1csc(C[NH+]2CCC(C[NH2+]Cc3c[nH]cn3)CC2)c1 ZINC000894209929 629224998 /nfs/dbraw/zinc/22/49/98/629224998.db2.gz ASLSEGXMXVLEOA-UHFFFAOYSA-N 2 1 290.436 2.473 20 0 CEADMP CCON1CCC([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000924958392 629296245 /nfs/dbraw/zinc/29/62/45/629296245.db2.gz FSKSUTKGDUMOEQ-OAHLLOKOSA-N 2 1 283.460 2.112 20 0 CEADMP C[C@@H]1CC[C@@H](C)C1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000924964236 629303319 /nfs/dbraw/zinc/30/33/19/629303319.db2.gz ABWJTQLCJJFYEB-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1F ZINC000261975059 629408033 /nfs/dbraw/zinc/40/80/33/629408033.db2.gz QQTOGCRVJBGUDS-AAEUAGOBSA-N 2 1 266.360 2.394 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1F ZINC000261975059 629408035 /nfs/dbraw/zinc/40/80/35/629408035.db2.gz QQTOGCRVJBGUDS-AAEUAGOBSA-N 2 1 266.360 2.394 20 0 CEADMP CCCn1ccnc1CCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000894479035 629485511 /nfs/dbraw/zinc/48/55/11/629485511.db2.gz IVDGSCGSICQYOZ-UHFFFAOYSA-N 2 1 292.471 2.499 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000894479035 629485515 /nfs/dbraw/zinc/48/55/15/629485515.db2.gz IVDGSCGSICQYOZ-UHFFFAOYSA-N 3 1 292.471 2.499 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000894479035 629485518 /nfs/dbraw/zinc/48/55/18/629485518.db2.gz IVDGSCGSICQYOZ-UHFFFAOYSA-N 3 1 292.471 2.499 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CCc3cccs3)C2)C1 ZINC000795316470 629515115 /nfs/dbraw/zinc/51/51/15/629515115.db2.gz RVYMXRODAZKMBU-AWEZNQCLSA-N 2 1 250.411 2.318 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CCc3cccs3)C2)C1 ZINC000795316470 629515118 /nfs/dbraw/zinc/51/51/18/629515118.db2.gz RVYMXRODAZKMBU-AWEZNQCLSA-N 2 1 250.411 2.318 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](CCc3cccs3)C2)C1 ZINC000795316470 629515120 /nfs/dbraw/zinc/51/51/20/629515120.db2.gz RVYMXRODAZKMBU-AWEZNQCLSA-N 2 1 250.411 2.318 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894534690 629518422 /nfs/dbraw/zinc/51/84/22/629518422.db2.gz SICLWKVUWDSFIP-WZYMTQMTSA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894534690 629518424 /nfs/dbraw/zinc/51/84/24/629518424.db2.gz SICLWKVUWDSFIP-WZYMTQMTSA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894534690 629518429 /nfs/dbraw/zinc/51/84/29/629518429.db2.gz SICLWKVUWDSFIP-WZYMTQMTSA-N 2 1 267.461 2.322 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2nccn2C2CC2)C1 ZINC000894861275 629698284 /nfs/dbraw/zinc/69/82/84/629698284.db2.gz RFOIMITVLQEIIC-ZDUSSCGKSA-N 2 1 262.401 2.040 20 0 CEADMP COc1nccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1F ZINC000894860941 629698426 /nfs/dbraw/zinc/69/84/26/629698426.db2.gz LHGNRXITMRFBFR-LBPRGKRZSA-N 2 1 281.375 2.051 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC1 ZINC000895207951 630034336 /nfs/dbraw/zinc/03/43/36/630034336.db2.gz ZLPYTHXYZNGAGV-UHFFFAOYSA-N 2 1 299.418 2.491 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(=O)[nH]c1 ZINC000895381523 630152971 /nfs/dbraw/zinc/15/29/71/630152971.db2.gz UFSKHXVZZPOTKR-DZGCQCFKSA-N 2 1 277.412 2.339 20 0 CEADMP CCOc1ccc(CNC[C@H]2CCCC[N@@H+](C)C2)o1 ZINC000895587025 630262436 /nfs/dbraw/zinc/26/24/36/630262436.db2.gz FSUDCUBNFYRXBB-CYBMUJFWSA-N 2 1 266.385 2.500 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CCCC1 ZINC000902728911 634798148 /nfs/dbraw/zinc/79/81/48/634798148.db2.gz CDPUOQQYABNZNG-AALSBFMBSA-N 2 1 278.440 2.264 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000895813953 630358574 /nfs/dbraw/zinc/35/85/74/630358574.db2.gz NPSJRNLKGXIKBP-GJZGRUSLSA-N 2 1 297.487 2.486 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000895972158 630424282 /nfs/dbraw/zinc/42/42/82/630424282.db2.gz RTQPRLWCCWWQJL-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000895972158 630424285 /nfs/dbraw/zinc/42/42/85/630424285.db2.gz RTQPRLWCCWWQJL-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000895972158 630424287 /nfs/dbraw/zinc/42/42/87/630424287.db2.gz RTQPRLWCCWWQJL-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CCO[C@@H](C[NH2+]CCC(C)(C)SC)C[NH+](C)C ZINC000896880112 630699431 /nfs/dbraw/zinc/69/94/31/630699431.db2.gz NWJMDMLDZOIPKH-LBPRGKRZSA-N 2 1 262.463 2.074 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000924796268 635520939 /nfs/dbraw/zinc/52/09/39/635520939.db2.gz BYNGHPKYORZPQJ-UUVAVEHKSA-N 2 1 298.434 2.425 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC=CO2)[C@@H]2CCC[C@H]21 ZINC000796950205 631012174 /nfs/dbraw/zinc/01/21/74/631012174.db2.gz SXPQANCULYVELE-ZQDZILKHSA-N 2 1 250.386 2.142 20 0 CEADMP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)s1 ZINC000904317936 635564737 /nfs/dbraw/zinc/56/47/37/635564737.db2.gz KFWGOWYGFWMEOP-ZMLRMANQSA-N 2 1 253.415 2.490 20 0 CEADMP Cc1c[nH+]cn1CC(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC000909596727 631050586 /nfs/dbraw/zinc/05/05/86/631050586.db2.gz SVRGUHSIBAMDSS-UHFFFAOYSA-N 2 1 286.379 2.200 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](CCO)Cc2ccccc2)[C@H](C)C1 ZINC000799730550 631072483 /nfs/dbraw/zinc/07/24/83/631072483.db2.gz HSRQVMOGUKLOHB-NXHRZFHOSA-N 2 1 290.451 2.300 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@H]([NH3+])CCC(C)(C)C ZINC000904341171 635578978 /nfs/dbraw/zinc/57/89/78/635578978.db2.gz JVPVGASPTAAYKI-MGPQQGTHSA-N 2 1 255.450 2.164 20 0 CEADMP C1CC2(CCOCC2)[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000800477275 631128944 /nfs/dbraw/zinc/12/89/44/631128944.db2.gz UBQMRXYEGKWRIX-KFWWJZLASA-N 2 1 264.413 2.162 20 0 CEADMP CC[C@@H](C(=O)N1CCC([N@@H+](C)CC2CCC2)CC1)[NH+](C)C ZINC000985657618 631170188 /nfs/dbraw/zinc/17/01/88/631170188.db2.gz SFMWUIYXADIELX-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000925201647 631171512 /nfs/dbraw/zinc/17/15/12/631171512.db2.gz CQUNDGMXUWRCRZ-LSDHHAIUSA-N 2 1 256.434 2.369 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000925201647 631171510 /nfs/dbraw/zinc/17/15/10/631171510.db2.gz CQUNDGMXUWRCRZ-LSDHHAIUSA-N 2 1 256.434 2.369 20 0 CEADMP CCC[N@@H+](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000985802269 631183759 /nfs/dbraw/zinc/18/37/59/631183759.db2.gz OQQKDIPBTPIVQA-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP CC[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806139713 631719750 /nfs/dbraw/zinc/71/97/50/631719750.db2.gz QTOWMVQTHSFSJQ-BMFZPTHFSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[N@@H+](CC(C)(C)CN(C)Cc2ccccc2)C[C@H]1O ZINC000897684862 631871002 /nfs/dbraw/zinc/87/10/02/631871002.db2.gz YAWJQOJRYLUAIE-NVXWUHKLSA-N 2 1 290.451 2.457 20 0 CEADMP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1O ZINC000897684862 631871006 /nfs/dbraw/zinc/87/10/06/631871006.db2.gz YAWJQOJRYLUAIE-NVXWUHKLSA-N 2 1 290.451 2.457 20 0 CEADMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1O ZINC000897684862 631871020 /nfs/dbraw/zinc/87/10/20/631871020.db2.gz YAWJQOJRYLUAIE-NVXWUHKLSA-N 2 1 290.451 2.457 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H](CCO)C2CCCC2)s1 ZINC000897882676 631960042 /nfs/dbraw/zinc/96/00/42/631960042.db2.gz OEXAZZZYLZCUMM-AWEZNQCLSA-N 2 1 297.468 2.236 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H](CCO)C1CCCC1 ZINC000897886068 631961791 /nfs/dbraw/zinc/96/17/91/631961791.db2.gz UOLNXATXOIRPOP-OAHLLOKOSA-N 2 1 277.412 2.178 20 0 CEADMP Cc1ccncc1CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000809547926 632096000 /nfs/dbraw/zinc/09/60/00/632096000.db2.gz XHZMLARXPMHJBN-UHFFFAOYSA-N 2 1 261.413 2.349 20 0 CEADMP CC[C@](C)([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000809971882 632162349 /nfs/dbraw/zinc/16/23/49/632162349.db2.gz NFWYAPUZSBPCGM-IRXDYDNUSA-N 2 1 276.424 2.357 20 0 CEADMP CC[C@](C)([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000809971882 632162351 /nfs/dbraw/zinc/16/23/51/632162351.db2.gz NFWYAPUZSBPCGM-IRXDYDNUSA-N 2 1 276.424 2.357 20 0 CEADMP COC(=O)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC1CCCC1 ZINC000898344248 632173962 /nfs/dbraw/zinc/17/39/62/632173962.db2.gz FQZVRYGZPCUINP-VNQPRFMTSA-N 2 1 296.455 2.428 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H]1CCOC12CCOCC2)[NH+]1CCCC1 ZINC000924630281 632361338 /nfs/dbraw/zinc/36/13/38/632361338.db2.gz AIUWVRFPQVOPED-HOTGVXAUSA-N 2 1 296.455 2.035 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C)C[NH+](C)C ZINC000926958042 632384195 /nfs/dbraw/zinc/38/41/95/632384195.db2.gz DNBSOKIIDRQYJH-GBJTYRQASA-N 2 1 256.434 2.367 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1c2ccccc2C[C@H]1C)C[NH+](C)C ZINC000926960742 632387722 /nfs/dbraw/zinc/38/77/22/632387722.db2.gz HGQMDEZEDRCAJN-FRFSOERESA-N 2 1 276.424 2.476 20 0 CEADMP CCO[C@@H](C[NH2+][C@H](C)Cc1cccs1)C[NH+](C)C ZINC000926962933 632391707 /nfs/dbraw/zinc/39/17/07/632391707.db2.gz OMBNSMMECNNUOK-OLZOCXBDSA-N 2 1 270.442 2.235 20 0 CEADMP CCO[C@H](C[NH2+]C1CC2(C1)CCCC2)C[NH+](C)C ZINC000926965351 632395920 /nfs/dbraw/zinc/39/59/20/632395920.db2.gz WAXLDFLFGAFVOQ-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCCO1 ZINC000927016399 632417109 /nfs/dbraw/zinc/41/71/09/632417109.db2.gz FOYLUGPPBYBHDB-OAHLLOKOSA-N 2 1 252.402 2.162 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC1(C)C ZINC000898384912 632476745 /nfs/dbraw/zinc/47/67/45/632476745.db2.gz HPZRAOXIJSUHEH-NUEKZKHPSA-N 2 1 274.408 2.107 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C(C)(C)CO ZINC000924754405 632784646 /nfs/dbraw/zinc/78/46/46/632784646.db2.gz SYJZXVFZUXOITP-ZIAGYGMSSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C(C)(C)CO ZINC000924754405 632784651 /nfs/dbraw/zinc/78/46/51/632784651.db2.gz SYJZXVFZUXOITP-ZIAGYGMSSA-N 2 1 270.461 2.494 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000900005218 633169088 /nfs/dbraw/zinc/16/90/88/633169088.db2.gz BXKQPAVICGRRMY-NSHDSACASA-N 2 1 264.373 2.343 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000817888063 633752374 /nfs/dbraw/zinc/75/23/74/633752374.db2.gz ACRDRRCVZKYLTM-AGIUHOORSA-N 2 1 288.313 2.208 20 0 CEADMP CCc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)[nH]n1 ZINC000817892843 633755505 /nfs/dbraw/zinc/75/55/05/633755505.db2.gz QCPMAPPYXWTAAP-HRCADAONSA-N 2 1 276.428 2.373 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000817898442 633759758 /nfs/dbraw/zinc/75/97/58/633759758.db2.gz FSEVAGWKZRZLJT-SOUVJXGZSA-N 2 1 282.815 2.494 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000817905154 633764704 /nfs/dbraw/zinc/76/47/04/633764704.db2.gz JOWFSYCWDLWLTL-UPJWGTAASA-N 2 1 289.206 2.496 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000817905151 633765269 /nfs/dbraw/zinc/76/52/69/633765269.db2.gz JOWFSYCWDLWLTL-FRRDWIJNSA-N 2 1 289.206 2.496 20 0 CEADMP C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000817924350 633780441 /nfs/dbraw/zinc/78/04/41/633780441.db2.gz QPEVUEAVODRCOO-UAGQMJEPSA-N 2 1 276.424 2.404 20 0 CEADMP C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000817924052 633780673 /nfs/dbraw/zinc/78/06/73/633780673.db2.gz LVGLAYOXFPLFJB-BMFZPTHFSA-N 2 1 262.397 2.014 20 0 CEADMP CC[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817924824 633781189 /nfs/dbraw/zinc/78/11/89/633781189.db2.gz YPZCDHYFDZSHQV-ULQDDVLXSA-N 2 1 276.424 2.404 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@@H](O)c1ccccc1 ZINC000817927833 633782598 /nfs/dbraw/zinc/78/25/98/633782598.db2.gz QVQCGLTZGQXYNH-HJWJTTGWSA-N 2 1 276.424 2.475 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@H](O)c1ccccc1 ZINC000817927837 633782924 /nfs/dbraw/zinc/78/29/24/633782924.db2.gz QVQCGLTZGQXYNH-PQEBFOHHSA-N 2 1 276.424 2.475 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cnc1Cl ZINC000817933570 633787062 /nfs/dbraw/zinc/78/70/62/633787062.db2.gz KMJGOAYOFCQRGQ-GZMMTYOYSA-N 2 1 257.740 2.091 20 0 CEADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000817965761 633809185 /nfs/dbraw/zinc/80/91/85/633809185.db2.gz UXWKHODTFHYKBC-WBMJQRKESA-N 2 1 287.407 2.201 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000818965065 634018413 /nfs/dbraw/zinc/01/84/13/634018413.db2.gz CTRDSXNWWUPZJE-WMLDXEAASA-N 2 1 287.407 2.459 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)c1ccccc1C ZINC000818965487 634020576 /nfs/dbraw/zinc/02/05/76/634020576.db2.gz IMQSJGANXJVRHO-SUMWQHHRSA-N 2 1 287.407 2.459 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(C)cc2)C1 ZINC000818981768 634028131 /nfs/dbraw/zinc/02/81/31/634028131.db2.gz YONQORUFRWFPGR-DOTOQJQBSA-N 2 1 276.424 2.350 20 0 CEADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000818986786 634030016 /nfs/dbraw/zinc/03/00/16/634030016.db2.gz APCPJHBYPHZBLB-CJNGLKHVSA-N 2 1 294.464 2.321 20 0 CEADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000818986786 634030024 /nfs/dbraw/zinc/03/00/24/634030024.db2.gz APCPJHBYPHZBLB-CJNGLKHVSA-N 2 1 294.464 2.321 20 0 CEADMP CC(C)CC[C@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000819058942 634054345 /nfs/dbraw/zinc/05/43/45/634054345.db2.gz AFCZDGVEISPTTL-DLBZAZTESA-N 2 1 298.471 2.017 20 0 CEADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000819278546 634125864 /nfs/dbraw/zinc/12/58/64/634125864.db2.gz QDASHNUYKNZSNC-JCYILVPMSA-N 2 1 274.408 2.327 20 0 CEADMP C[C@H]1CN(C(=O)CC[NH2+]C(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC000820309332 634376712 /nfs/dbraw/zinc/37/67/12/634376712.db2.gz RYMLDXQDGVRUPE-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2cn(C)nn2)c1 ZINC000902793965 634836707 /nfs/dbraw/zinc/83/67/07/634836707.db2.gz PGRAQCNBKDZHEP-CYBMUJFWSA-N 2 1 287.411 2.118 20 0 CEADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cn(C)nn2)c1 ZINC000902793965 634836710 /nfs/dbraw/zinc/83/67/10/634836710.db2.gz PGRAQCNBKDZHEP-CYBMUJFWSA-N 2 1 287.411 2.118 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cn(C)nn2)c1 ZINC000902793965 634836711 /nfs/dbraw/zinc/83/67/11/634836711.db2.gz PGRAQCNBKDZHEP-CYBMUJFWSA-N 2 1 287.411 2.118 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902799154 634838804 /nfs/dbraw/zinc/83/88/04/634838804.db2.gz AGHRROYZJPWCEI-ZOBUZTSGSA-N 2 1 280.456 2.392 20 0 CEADMP COCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903085835 634962682 /nfs/dbraw/zinc/96/26/82/634962682.db2.gz HGSOGYLMTKINNA-IKKMQULASA-N 2 1 252.402 2.159 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCOC1 ZINC000903104568 634971744 /nfs/dbraw/zinc/97/17/44/634971744.db2.gz WBRYPQYPNANHQQ-LVMBCBDASA-N 2 1 264.413 2.159 20 0 CEADMP CC/C(C)=C\C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000822721663 634980773 /nfs/dbraw/zinc/98/07/73/634980773.db2.gz XOZBSSZNVBOJAG-QBFSEMIESA-N 2 1 288.395 2.128 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCSC1)C2 ZINC000903122565 634981600 /nfs/dbraw/zinc/98/16/00/634981600.db2.gz ZYFLMFCQZQCQDQ-WDFAYWTNSA-N 2 1 252.427 2.239 20 0 CEADMP OCC[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903154842 634991438 /nfs/dbraw/zinc/99/14/38/634991438.db2.gz VTKUTGGUXQJYKH-IBWRZXHSSA-N 2 1 278.440 2.285 20 0 CEADMP CO[C@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903172546 634997919 /nfs/dbraw/zinc/99/79/19/634997919.db2.gz RDHSZQBREAONOZ-IZQGUMMNSA-N 2 1 252.402 2.157 20 0 CEADMP FC(F)OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903167266 635003502 /nfs/dbraw/zinc/00/35/02/635003502.db2.gz WNXTUVRTBSMEEP-VGPLMAKISA-N 2 1 274.355 2.363 20 0 CEADMP OC[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903189989 635013666 /nfs/dbraw/zinc/01/36/66/635013666.db2.gz MKZCOMJAPMINER-VGWXVEKNSA-N 2 1 278.440 2.285 20 0 CEADMP C1CC1[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CO1 ZINC000903206102 635015515 /nfs/dbraw/zinc/01/55/15/635015515.db2.gz HGYDLWVGAXLIMR-ZSXONFNJSA-N 2 1 276.424 2.301 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccnn1C ZINC000903214392 635018745 /nfs/dbraw/zinc/01/87/45/635018745.db2.gz UMXDHLDSFVSIIE-IKKMQULASA-N 2 1 274.412 2.229 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccnn1C ZINC000903214392 635018748 /nfs/dbraw/zinc/01/87/48/635018748.db2.gz UMXDHLDSFVSIIE-IKKMQULASA-N 2 1 274.412 2.229 20 0 CEADMP Cc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)nn1C ZINC000903223464 635023274 /nfs/dbraw/zinc/02/32/74/635023274.db2.gz FIFIPOJNQQAOHH-ZXFUBFMLSA-N 2 1 288.439 2.018 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)[C@H]2CCC[C@@H]21 ZINC000903250872 635028887 /nfs/dbraw/zinc/02/88/87/635028887.db2.gz DSWYPKFBKPMPDE-BQJWPVKWSA-N 2 1 278.440 2.406 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)CCc2ccccc2)CC1(C)C ZINC000903292871 635043487 /nfs/dbraw/zinc/04/34/87/635043487.db2.gz NBJJBQULZLGHTA-IAGOWNOFSA-N 2 1 290.451 2.443 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)CCc2ccccc2)CC1(C)C ZINC000903292870 635043756 /nfs/dbraw/zinc/04/37/56/635043756.db2.gz NBJJBQULZLGHTA-DLBZAZTESA-N 2 1 290.451 2.443 20 0 CEADMP C[N@H+]1CC[C@H](NCC[NH+]2CCC(C)(C)C2)[C@H]2CCC[C@H]21 ZINC000903345667 635073023 /nfs/dbraw/zinc/07/30/23/635073023.db2.gz YOBYXUVCBALRSR-OWCLPIDISA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@H](NCC[N@@H+]2CCC(C)(C)C2)[C@H]2CCC[C@H]21 ZINC000903345667 635073025 /nfs/dbraw/zinc/07/30/25/635073025.db2.gz YOBYXUVCBALRSR-OWCLPIDISA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@H](NCC[N@H+]2CCC(C)(C)C2)[C@H]2CCC[C@H]21 ZINC000903345667 635073027 /nfs/dbraw/zinc/07/30/27/635073027.db2.gz YOBYXUVCBALRSR-OWCLPIDISA-N 2 1 279.472 2.181 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCN2CCC(C)(C)C2)[C@H]2CCC[C@H]21 ZINC000903345667 635073030 /nfs/dbraw/zinc/07/30/30/635073030.db2.gz YOBYXUVCBALRSR-OWCLPIDISA-N 2 1 279.472 2.181 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCC(C)(C)C2)[C@H]2CCC[C@H]21 ZINC000903345667 635073033 /nfs/dbraw/zinc/07/30/33/635073033.db2.gz YOBYXUVCBALRSR-OWCLPIDISA-N 2 1 279.472 2.181 20 0 CEADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CCOC1 ZINC000903385199 635096126 /nfs/dbraw/zinc/09/61/26/635096126.db2.gz WDWRJVSREAQXIQ-NUEKZKHPSA-N 2 1 277.412 2.089 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](CCCO)[C@H]2CCc3ccccc32)C1 ZINC000903438502 635117586 /nfs/dbraw/zinc/11/75/86/635117586.db2.gz WTPJDCQLVSMGBT-LESCRADOSA-N 2 1 288.435 2.486 20 0 CEADMP CC[N@@H+](CCOc1ccccc1OC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464490 635126138 /nfs/dbraw/zinc/12/61/38/635126138.db2.gz PJJPYFSHZUBPCU-CABCVRRESA-N 2 1 292.423 2.251 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000903450532 635135077 /nfs/dbraw/zinc/13/50/77/635135077.db2.gz IJYCGCBUENUCBL-JKJDWNRSSA-N 2 1 294.439 2.181 20 0 CEADMP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1CCC2(CCC2)CO1 ZINC000903471798 635142888 /nfs/dbraw/zinc/14/28/88/635142888.db2.gz MSKHRKZQXLAXGM-ZIAGYGMSSA-N 2 1 264.413 2.210 20 0 CEADMP c1cc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc2c1OCC2 ZINC000903470543 635143011 /nfs/dbraw/zinc/14/30/11/635143011.db2.gz NMHKIEOOVGXUQG-MRXNPFEDSA-N 2 1 272.392 2.038 20 0 CEADMP COc1ccc([C@H]2CC[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)cc1F ZINC000903474048 635143845 /nfs/dbraw/zinc/14/38/45/635143845.db2.gz GOCPTNRDLNMMSB-SNPRPXQTSA-N 2 1 292.398 2.479 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c(C)nn1 ZINC000903482087 635149345 /nfs/dbraw/zinc/14/93/45/635149345.db2.gz WVVVZGIHJMZNBN-INIZCTEOSA-N 2 1 274.412 2.059 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c(C)nn1 ZINC000903482087 635149349 /nfs/dbraw/zinc/14/93/49/635149349.db2.gz WVVVZGIHJMZNBN-INIZCTEOSA-N 2 1 274.412 2.059 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1CC[NH3+] ZINC000903498590 635154177 /nfs/dbraw/zinc/15/41/77/635154177.db2.gz LAXKLKOZCAYVTO-ZIAGYGMSSA-N 2 1 274.408 2.176 20 0 CEADMP C[C@]1([C@@H]2CCC[N@@H+](CCCCCCC[NH3+])C2)COC(=O)N1 ZINC000903560890 635163695 /nfs/dbraw/zinc/16/36/95/635163695.db2.gz CXEUNJWSQBDVSO-GDBMZVCRSA-N 2 1 297.443 2.106 20 0 CEADMP Cn1nccc1[C@@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000903566329 635164831 /nfs/dbraw/zinc/16/48/31/635164831.db2.gz PUICJFIPPIGBON-INIZCTEOSA-N 2 1 276.428 2.337 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903716416 635230814 /nfs/dbraw/zinc/23/08/14/635230814.db2.gz MPGVZHHLYKYIMR-LLVKDONJSA-N 2 1 286.778 2.399 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903716416 635230818 /nfs/dbraw/zinc/23/08/18/635230818.db2.gz MPGVZHHLYKYIMR-LLVKDONJSA-N 2 1 286.778 2.399 20 0 CEADMP FC(F)(F)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903717929 635231848 /nfs/dbraw/zinc/23/18/48/635231848.db2.gz GAWLOLNAQIJZOM-FRRDWIJNSA-N 2 1 292.345 2.029 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(F)ncc1F ZINC000823624628 635235260 /nfs/dbraw/zinc/23/52/60/635235260.db2.gz BDTNQPWMPICFBE-JTQLQIEISA-N 2 1 280.322 2.291 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903716228 635245627 /nfs/dbraw/zinc/24/56/27/635245627.db2.gz JYIBIHQYULEJSV-JTQLQIEISA-N 2 1 272.751 2.139 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000903749029 635247486 /nfs/dbraw/zinc/24/74/86/635247486.db2.gz FICUKPDZKQSCBF-BBWFWOEESA-N 3 1 279.472 2.088 20 0 CEADMP c1ccc(C[N@@H+](C[C@@H]2CCCC[NH2+]C2)C2CC2)nc1 ZINC000903751102 635247848 /nfs/dbraw/zinc/24/78/48/635247848.db2.gz AJWQTFMIYDXHAA-CQSZACIVSA-N 2 1 259.397 2.436 20 0 CEADMP c1ccc(C[N@H+](C[C@@H]2CCCC[NH2+]C2)C2CC2)nc1 ZINC000903751102 635247850 /nfs/dbraw/zinc/24/78/50/635247850.db2.gz AJWQTFMIYDXHAA-CQSZACIVSA-N 2 1 259.397 2.436 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903753302 635249555 /nfs/dbraw/zinc/24/95/55/635249555.db2.gz SWCFABBKSILZSL-LVQVYYBASA-N 2 1 266.429 2.266 20 0 CEADMP CCSCC[C@H](C)[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903733966 635250612 /nfs/dbraw/zinc/25/06/12/635250612.db2.gz NLIAJHKUBVTTAX-ZNMIVQPWSA-N 2 1 286.485 2.219 20 0 CEADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC2(C1)CCCCC2 ZINC000903734583 635250781 /nfs/dbraw/zinc/25/07/81/635250781.db2.gz SEARBWZSRQYVMO-NVXWUHKLSA-N 2 1 278.440 2.411 20 0 CEADMP C[NH2+]CCC[N@H+](C)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903761672 635257270 /nfs/dbraw/zinc/25/72/70/635257270.db2.gz ZIIWBGGCDBZPIB-MNOVXSKESA-N 2 1 268.323 2.028 20 0 CEADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903761672 635257274 /nfs/dbraw/zinc/25/72/74/635257274.db2.gz ZIIWBGGCDBZPIB-MNOVXSKESA-N 2 1 268.323 2.028 20 0 CEADMP NC[C@@]12CC[C@@H]1CCC[N@@H+]2CCc1cccs1 ZINC000903799107 635276257 /nfs/dbraw/zinc/27/62/57/635276257.db2.gz QUDCALDXKQPDNX-JSGCOSHPSA-N 2 1 250.411 2.494 20 0 CEADMP NC[C@@]12CC[C@@H]1CCC[N@H+]2CCc1cccs1 ZINC000903799107 635276259 /nfs/dbraw/zinc/27/62/59/635276259.db2.gz QUDCALDXKQPDNX-JSGCOSHPSA-N 2 1 250.411 2.494 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2CCc1cccs1 ZINC000903799107 635276261 /nfs/dbraw/zinc/27/62/61/635276261.db2.gz QUDCALDXKQPDNX-JSGCOSHPSA-N 2 1 250.411 2.494 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2CCc1cccs1 ZINC000903799107 635276263 /nfs/dbraw/zinc/27/62/63/635276263.db2.gz QUDCALDXKQPDNX-JSGCOSHPSA-N 2 1 250.411 2.494 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000903832395 635296404 /nfs/dbraw/zinc/29/64/04/635296404.db2.gz QTYFWOCNMVSXRK-CVEARBPZSA-N 2 1 273.424 2.197 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2Cc1ccc2c(c1)CCC2 ZINC000903857630 635308738 /nfs/dbraw/zinc/30/87/38/635308738.db2.gz VWWVDOFLEKMJFQ-SJORKVTESA-N 2 1 256.393 2.489 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2Cc1ccc2c(c1)CCC2 ZINC000903857630 635308746 /nfs/dbraw/zinc/30/87/46/635308746.db2.gz VWWVDOFLEKMJFQ-SJORKVTESA-N 2 1 256.393 2.489 20 0 CEADMP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H](C)C(C)C ZINC000903890020 635316179 /nfs/dbraw/zinc/31/61/79/635316179.db2.gz YDVIGHUMHAEDHT-UONOGXRCSA-N 2 1 279.432 2.069 20 0 CEADMP CC[N@@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)[C@@H](C)C(C)C ZINC000903889404 635316693 /nfs/dbraw/zinc/31/66/93/635316693.db2.gz RQTHPNQWLGNQSJ-DZGCQCFKSA-N 2 1 280.460 2.212 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903884743 635327050 /nfs/dbraw/zinc/32/70/50/635327050.db2.gz ABKZIAFBDCWUEB-ZDUSSCGKSA-N 2 1 277.403 2.021 20 0 CEADMP CC(C)[C@@H]1CCCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903894824 635330136 /nfs/dbraw/zinc/33/01/36/635330136.db2.gz FJDGWHVACDWNBJ-HOCLYGCPSA-N 2 1 291.443 2.213 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000903895663 635332577 /nfs/dbraw/zinc/33/25/77/635332577.db2.gz PQACMRLPPWJYBS-MKXAEBJUSA-N 3 1 279.472 2.179 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000903895663 635332584 /nfs/dbraw/zinc/33/25/84/635332584.db2.gz PQACMRLPPWJYBS-MKXAEBJUSA-N 3 1 279.472 2.179 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000903895663 635332590 /nfs/dbraw/zinc/33/25/90/635332590.db2.gz PQACMRLPPWJYBS-MKXAEBJUSA-N 3 1 279.472 2.179 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000903895663 635332595 /nfs/dbraw/zinc/33/25/95/635332595.db2.gz PQACMRLPPWJYBS-MKXAEBJUSA-N 2 1 279.472 2.179 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000903895663 635332602 /nfs/dbraw/zinc/33/26/02/635332602.db2.gz PQACMRLPPWJYBS-MKXAEBJUSA-N 2 1 279.472 2.179 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)C[C@@H]([NH3+])CC(F)F)c1C ZINC000903906604 635342212 /nfs/dbraw/zinc/34/22/12/635342212.db2.gz WKVISUIZQMSWLW-NSHDSACASA-N 2 1 287.354 2.121 20 0 CEADMP CCC1CCC([N@@H+](CCO)C[C@H]([NH3+])CC(F)F)CC1 ZINC000903913292 635347408 /nfs/dbraw/zinc/34/74/08/635347408.db2.gz OGKVDSQNTVMTSV-OTTFEQOBSA-N 2 1 278.387 2.232 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](C)C(C)(C)C2)cnn1C ZINC000903913914 635347848 /nfs/dbraw/zinc/34/78/48/635347848.db2.gz FOBRDHDEEINVLL-UKRRQHHQSA-N 2 1 292.471 2.214 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000903939307 635355320 /nfs/dbraw/zinc/35/53/20/635355320.db2.gz FWFFNWPRCITTSP-QJPTWQEYSA-N 2 1 280.334 2.028 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000903930339 635357460 /nfs/dbraw/zinc/35/74/60/635357460.db2.gz XOJNOMJZJISWPC-WDVRLDOZSA-N 2 1 264.413 2.018 20 0 CEADMP [NH3+][C@@H](CNCc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000903915972 635363617 /nfs/dbraw/zinc/36/36/17/635363617.db2.gz DUKVDPKZTWZPQS-SFHVURJKSA-N 2 1 281.403 2.122 20 0 CEADMP CC(C)C[N@@H+](C[C@H](N)CC(F)F)CC1CC[NH+](C)CC1 ZINC000903937943 635363869 /nfs/dbraw/zinc/36/38/69/635363869.db2.gz VYCWTJZKDVTFOO-CQSZACIVSA-N 2 1 291.430 2.269 20 0 CEADMP C([C@@H]1CCSC1)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959759 635369424 /nfs/dbraw/zinc/36/94/24/635369424.db2.gz NSFNMOLMBCXKFU-UONOGXRCSA-N 2 1 254.443 2.205 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](C)CCc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000903960120 635369728 /nfs/dbraw/zinc/36/97/28/635369728.db2.gz XOQQKFMJOAQGFE-ZFWWWQNUSA-N 2 1 290.407 2.278 20 0 CEADMP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974006 635391359 /nfs/dbraw/zinc/39/13/59/635391359.db2.gz SBTVSVWDKRWTOI-NEPJUHHUSA-N 2 1 294.361 2.466 20 0 CEADMP CCC[C@H](C)C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973980 635391885 /nfs/dbraw/zinc/39/18/85/635391885.db2.gz RKFWMIYBKPGBHT-UONOGXRCSA-N 2 1 254.418 2.171 20 0 CEADMP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973135 635392174 /nfs/dbraw/zinc/39/21/74/635392174.db2.gz OXIHNOBXRXFIGL-ZFWWWQNUSA-N 2 1 294.464 2.427 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000903964659 635399089 /nfs/dbraw/zinc/39/90/89/635399089.db2.gz NMLHFKJNPVMIPD-MNOVXSKESA-N 2 1 292.814 2.172 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000904303735 635555124 /nfs/dbraw/zinc/55/51/24/635555124.db2.gz FNLSBEUBCSKZCF-VHDGCEQUSA-N 2 1 288.391 2.332 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904313038 635560447 /nfs/dbraw/zinc/56/04/47/635560447.db2.gz WTIFFYCGTWTXDM-QGZVFWFLSA-N 2 1 292.423 2.396 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000904376818 635601384 /nfs/dbraw/zinc/60/13/84/635601384.db2.gz GALUHUGUIUPDPC-SFHVURJKSA-N 3 1 287.451 2.357 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(C[C@H]([NH3+])CCC(C)(C)C)CC[C@H]21 ZINC000904385385 635606637 /nfs/dbraw/zinc/60/66/37/635606637.db2.gz XBKLCWVUMNCXNA-RBSFLKMASA-N 2 1 267.461 2.166 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000904409427 635615083 /nfs/dbraw/zinc/61/50/83/635615083.db2.gz BPLRPWPJSQRHPT-XJKSGUPXSA-N 2 1 261.413 2.239 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)CC[C@@H]1C[NH3+] ZINC000904411978 635619419 /nfs/dbraw/zinc/61/94/19/635619419.db2.gz QUSVIDIVQFZCAJ-TZMCWYRMSA-N 2 1 259.397 2.071 20 0 CEADMP COCCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000904412477 635619873 /nfs/dbraw/zinc/61/98/73/635619873.db2.gz UOWPOWFPBHYMJF-GOEBONIOSA-N 2 1 292.423 2.129 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc(OC)c1 ZINC000904412283 635620481 /nfs/dbraw/zinc/62/04/81/635620481.db2.gz RLGFRQHVIQSZGG-JSGCOSHPSA-N 2 1 278.396 2.121 20 0 CEADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cncc(O)c1 ZINC000904433661 635626465 /nfs/dbraw/zinc/62/64/65/635626465.db2.gz PDKOYPOCPJSIKW-GXTWGEPZSA-N 2 1 263.385 2.188 20 0 CEADMP c1cc2cnccc2c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904420232 635631743 /nfs/dbraw/zinc/63/17/43/635631743.db2.gz HYOIRWSWKAGAIE-GOEBONIOSA-N 2 1 267.376 2.276 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)CC[NH2+]1 ZINC000904475469 635649794 /nfs/dbraw/zinc/64/97/94/635649794.db2.gz JYGBYLUFGQRTPS-SYQHCUMBSA-N 2 1 254.443 2.059 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@](C)(O)C(F)F ZINC000905045344 635786580 /nfs/dbraw/zinc/78/65/80/635786580.db2.gz IJPLCCVAWDAMAX-OCCSQVGLSA-N 2 1 278.387 2.247 20 0 CEADMP CC[C@@](O)(C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C(F)(F)F ZINC000905073347 635812502 /nfs/dbraw/zinc/81/25/02/635812502.db2.gz WLDJDLQQVKYXII-QWHCGFSZSA-N 2 1 296.377 2.400 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCOc2ccccc21 ZINC000252823857 636395779 /nfs/dbraw/zinc/39/57/79/636395779.db2.gz COOXRPXUHCXJBN-KGLIPLIRSA-N 2 1 260.381 2.237 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CCOc2ccccc21 ZINC000252823857 636395785 /nfs/dbraw/zinc/39/57/85/636395785.db2.gz COOXRPXUHCXJBN-KGLIPLIRSA-N 2 1 260.381 2.237 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000906227373 636666497 /nfs/dbraw/zinc/66/64/97/636666497.db2.gz QLDJUFGEPBACGL-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCCOc1c(C[NH2+]C2CC([NH3+])C2)cccc1OCC ZINC000906508297 636759388 /nfs/dbraw/zinc/75/93/88/636759388.db2.gz LOUNKPNSGXGSSL-UHFFFAOYSA-N 2 1 278.396 2.453 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2c(Cl)ccc3cccnc32)C1 ZINC000906510792 636762224 /nfs/dbraw/zinc/76/22/24/636762224.db2.gz XIWYAAHLVQUGMF-UHFFFAOYSA-N 2 1 261.756 2.468 20 0 CEADMP CCCC[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000906528356 636769154 /nfs/dbraw/zinc/76/91/54/636769154.db2.gz ZPGRBAUENFEFHF-UHFFFAOYSA-N 2 1 254.418 2.411 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)c1c(C)cc(C)nc1C ZINC000906659410 636822803 /nfs/dbraw/zinc/82/28/03/636822803.db2.gz HAQWWQSZZIVRAP-UHFFFAOYSA-N 2 1 277.412 2.469 20 0 CEADMP CN(C)c1ccnc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)c1 ZINC000907325190 636994795 /nfs/dbraw/zinc/99/47/95/636994795.db2.gz QEURWSZMCLUQBA-GXTWGEPZSA-N 2 1 288.395 2.103 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](CCSC(C)(C)C)CCO2 ZINC000830653132 637124111 /nfs/dbraw/zinc/12/41/11/637124111.db2.gz VAZPJLJPCMMJGL-UHFFFAOYSA-N 2 1 286.485 2.315 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000907960765 637181606 /nfs/dbraw/zinc/18/16/06/637181606.db2.gz XDKRGEICFHFWGX-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000908171024 637251161 /nfs/dbraw/zinc/25/11/61/637251161.db2.gz LADSDXAKRKOPTM-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000908171024 637251167 /nfs/dbraw/zinc/25/11/67/637251167.db2.gz LADSDXAKRKOPTM-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000908171024 637251171 /nfs/dbraw/zinc/25/11/71/637251171.db2.gz LADSDXAKRKOPTM-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP O[C@H](C[NH2+][C@H](c1cccs1)C1CC1)C[NH+]1CCCC1 ZINC000908922112 637536458 /nfs/dbraw/zinc/53/64/58/637536458.db2.gz RGNFIXZKXADULL-HIFRSBDPSA-N 2 1 280.437 2.246 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)c1 ZINC000911692163 638360214 /nfs/dbraw/zinc/36/02/14/638360214.db2.gz MNKJNPFXFWVBCL-AWEZNQCLSA-N 2 1 298.390 2.112 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000911864662 638436555 /nfs/dbraw/zinc/43/65/55/638436555.db2.gz MMHRRTUISQBVTH-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000911864662 638436558 /nfs/dbraw/zinc/43/65/58/638436558.db2.gz MMHRRTUISQBVTH-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000911864662 638436561 /nfs/dbraw/zinc/43/65/61/638436561.db2.gz MMHRRTUISQBVTH-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000912719377 639002238 /nfs/dbraw/zinc/00/22/38/639002238.db2.gz XPXLVAPLEPTQEG-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000912719377 639002240 /nfs/dbraw/zinc/00/22/40/639002240.db2.gz XPXLVAPLEPTQEG-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000912719377 639002246 /nfs/dbraw/zinc/00/22/46/639002246.db2.gz XPXLVAPLEPTQEG-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)CC[NH2+]CC1CC1 ZINC000876876488 650468919 /nfs/dbraw/zinc/46/89/19/650468919.db2.gz FWXBRSMPDLYINC-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CC[C@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC000991620053 639508067 /nfs/dbraw/zinc/50/80/67/639508067.db2.gz FSDARAHEYLEHPH-NVXWUHKLSA-N 2 1 298.390 2.081 20 0 CEADMP CO[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)C1CC1 ZINC000876952149 650502405 /nfs/dbraw/zinc/50/24/05/650502405.db2.gz YBZPYAIAYOSDRX-HNNXBMFYSA-N 2 1 286.379 2.090 20 0 CEADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000227335307 639584813 /nfs/dbraw/zinc/58/48/13/639584813.db2.gz MIICZTGGARICGG-DJIMGWMZSA-N 2 1 275.440 2.410 20 0 CEADMP CC[N@@H+](CCc1ccccn1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000841008821 639616182 /nfs/dbraw/zinc/61/61/82/639616182.db2.gz XKNYZYQNDUNISM-CABCVRRESA-N 2 1 261.413 2.334 20 0 CEADMP CC1(C)Cc2cc(C[NH2+][C@H](C[NH3+])C3CC3)ccc2O1 ZINC000841027932 639620626 /nfs/dbraw/zinc/62/06/26/639620626.db2.gz GQSTUAKMANAQHH-CQSZACIVSA-N 2 1 260.381 2.227 20 0 CEADMP CCCCn1nc(C)c(C[NH2+]C[C@H](C)C[NH3+])c1Cl ZINC000841049150 639632360 /nfs/dbraw/zinc/63/23/60/639632360.db2.gz NOQJWMXPOHZFNB-SNVBAGLBSA-N 2 1 272.824 2.329 20 0 CEADMP Cc1cc(C)cc(CC[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000877021792 650534712 /nfs/dbraw/zinc/53/47/12/650534712.db2.gz KOZFWNJBMIVZQI-ZWKOTPCHSA-N 2 1 288.435 2.299 20 0 CEADMP Cc1cc(C)cc(CC[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000877021792 650534713 /nfs/dbraw/zinc/53/47/13/650534713.db2.gz KOZFWNJBMIVZQI-ZWKOTPCHSA-N 2 1 288.435 2.299 20 0 CEADMP CO[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H](C)C1 ZINC000312195733 640005711 /nfs/dbraw/zinc/00/57/11/640005711.db2.gz FNDCPRHQNLDLLN-XJKSGUPXSA-N 2 1 274.408 2.332 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000842473551 640072586 /nfs/dbraw/zinc/07/25/86/640072586.db2.gz YYLZCZZIEFFESR-HUUCEWRRSA-N 2 1 254.418 2.397 20 0 CEADMP CCN1CCC([N@@H+](C)C[C@@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000929781350 640188332 /nfs/dbraw/zinc/18/83/32/640188332.db2.gz VVBBPGWHQWXISQ-HOCLYGCPSA-N 2 1 296.455 2.382 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000929781350 640188335 /nfs/dbraw/zinc/18/83/35/640188335.db2.gz VVBBPGWHQWXISQ-HOCLYGCPSA-N 2 1 296.455 2.382 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000929781350 640188340 /nfs/dbraw/zinc/18/83/40/640188340.db2.gz VVBBPGWHQWXISQ-HOCLYGCPSA-N 2 1 296.455 2.382 20 0 CEADMP Cc1cccc(F)c1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877067607 650557174 /nfs/dbraw/zinc/55/71/74/650557174.db2.gz GZAPVATYAPOWGI-UHFFFAOYSA-N 2 1 294.414 2.459 20 0 CEADMP COC(=O)c1[nH]c(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC000877073759 650559612 /nfs/dbraw/zinc/55/96/12/650559612.db2.gz RVDKDLOZUJSZCJ-TZMCWYRMSA-N 2 1 293.411 2.072 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000843055626 640258449 /nfs/dbraw/zinc/25/84/49/640258449.db2.gz IMIJOFJYLATWIH-VXGQWTEUSA-N 2 1 254.418 2.393 20 0 CEADMP CCCCCCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843388621 640413435 /nfs/dbraw/zinc/41/34/35/640413435.db2.gz UOHRGWFOEBCMMV-CVEARBPZSA-N 2 1 295.471 2.004 20 0 CEADMP CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843388588 640413935 /nfs/dbraw/zinc/41/39/35/640413935.db2.gz SSKGNDGGHBURES-ZNMIVQPWSA-N 2 1 282.428 2.040 20 0 CEADMP C[N@@H+](CC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)CC(C)(C)C ZINC000877139046 650591512 /nfs/dbraw/zinc/59/15/12/650591512.db2.gz FYLFUCCSFBDKLO-LSDHHAIUSA-N 2 1 289.423 2.418 20 0 CEADMP C[NH2+]Cc1ccc(NC(=O)CCCn2cc[nH+]c2C)cc1 ZINC000844197719 640628955 /nfs/dbraw/zinc/62/89/55/640628955.db2.gz QLVWBBXNXIBGLK-UHFFFAOYSA-N 2 1 286.379 2.330 20 0 CEADMP CC(C)[NH2+]C1CCN(CCCCCCC[NH3+])CC1 ZINC000844221840 640636463 /nfs/dbraw/zinc/63/64/63/640636463.db2.gz VRBGTYXHHQVNGJ-UHFFFAOYSA-N 2 1 255.450 2.358 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994080281 640693351 /nfs/dbraw/zinc/69/33/51/640693351.db2.gz MSCJOXYHBGGDKX-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP O[C@H](C[N@H+](CC1CCCCC1)C1CC1)C[NH+]1CCCC1 ZINC000917017541 640838096 /nfs/dbraw/zinc/83/80/96/640838096.db2.gz VLLRGKHTPDTSES-KRWDZBQOSA-N 2 1 280.456 2.488 20 0 CEADMP O[C@H](C[N@@H+](CC1CCCCC1)C1CC1)C[NH+]1CCCC1 ZINC000917017541 640838099 /nfs/dbraw/zinc/83/80/99/640838099.db2.gz VLLRGKHTPDTSES-KRWDZBQOSA-N 2 1 280.456 2.488 20 0 CEADMP CC[C@@H](C)[C@H](C(=O)OC)[N@H+](C)CCCn1cc[nH+]c1C ZINC000930060430 641017525 /nfs/dbraw/zinc/01/75/25/641017525.db2.gz MGGILKULVGZVCJ-TZMCWYRMSA-N 2 1 281.400 2.101 20 0 CEADMP CC[C@@H](C)[C@H](C(=O)OC)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000930060430 641017529 /nfs/dbraw/zinc/01/75/29/641017529.db2.gz MGGILKULVGZVCJ-TZMCWYRMSA-N 2 1 281.400 2.101 20 0 CEADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000920094847 641114117 /nfs/dbraw/zinc/11/41/17/641114117.db2.gz ILERIAISUJKOIW-DOTOQJQBSA-N 2 1 274.408 2.029 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000846176827 641214192 /nfs/dbraw/zinc/21/41/92/641214192.db2.gz IZFLRWRJHNWNAD-MQVJKMGUSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[NH+](C)CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000846176827 641214197 /nfs/dbraw/zinc/21/41/97/641214197.db2.gz IZFLRWRJHNWNAD-MQVJKMGUSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[NH+](C)CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000846176827 641214204 /nfs/dbraw/zinc/21/42/04/641214204.db2.gz IZFLRWRJHNWNAD-MQVJKMGUSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000846176827 641214211 /nfs/dbraw/zinc/21/42/11/641214211.db2.gz IZFLRWRJHNWNAD-MQVJKMGUSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000846176827 641214219 /nfs/dbraw/zinc/21/42/19/641214219.db2.gz IZFLRWRJHNWNAD-MQVJKMGUSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000846176827 641214223 /nfs/dbraw/zinc/21/42/23/641214223.db2.gz IZFLRWRJHNWNAD-MQVJKMGUSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000846176827 641214228 /nfs/dbraw/zinc/21/42/28/641214228.db2.gz IZFLRWRJHNWNAD-MQVJKMGUSA-N 3 1 267.461 2.179 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000846221505 641231604 /nfs/dbraw/zinc/23/16/04/641231604.db2.gz ZIOSOPOGNSMYHX-CQSZACIVSA-N 2 1 291.443 2.312 20 0 CEADMP C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCCCCC[NH3+])C[C@H](C)O1 ZINC000846221170 641231680 /nfs/dbraw/zinc/23/16/80/641231680.db2.gz HUKBKJJLAPAYNE-BBWFWOEESA-N 2 1 297.487 2.079 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000233788575 641338303 /nfs/dbraw/zinc/33/83/03/641338303.db2.gz FXYSWLYUQLHBDD-INIZCTEOSA-N 2 1 278.396 2.135 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4nonc4c3)CC[C@@H]21 ZINC000846818804 641438508 /nfs/dbraw/zinc/43/85/08/641438508.db2.gz SMKQJNAMDSDJCL-BBRMVZONSA-N 2 1 286.379 2.139 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4nonc4c3)CC[C@@H]21 ZINC000846818804 641438514 /nfs/dbraw/zinc/43/85/14/641438514.db2.gz SMKQJNAMDSDJCL-BBRMVZONSA-N 2 1 286.379 2.139 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4nonc4c3)CC[C@@H]21 ZINC000846818804 641438516 /nfs/dbraw/zinc/43/85/16/641438516.db2.gz SMKQJNAMDSDJCL-BBRMVZONSA-N 2 1 286.379 2.139 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000847014291 641521502 /nfs/dbraw/zinc/52/15/02/641521502.db2.gz QGIANJUBFBJMLR-CYBMUJFWSA-N 2 1 269.339 2.474 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000847014291 641521506 /nfs/dbraw/zinc/52/15/06/641521506.db2.gz QGIANJUBFBJMLR-CYBMUJFWSA-N 2 1 269.339 2.474 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174049 641641255 /nfs/dbraw/zinc/64/12/55/641641255.db2.gz HWWWXODEVCWJQX-CVEARBPZSA-N 2 1 297.487 2.186 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174049 641641259 /nfs/dbraw/zinc/64/12/59/641641259.db2.gz HWWWXODEVCWJQX-CVEARBPZSA-N 2 1 297.487 2.186 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000070173996 641641603 /nfs/dbraw/zinc/64/16/03/641641603.db2.gz JMSZCJQTMOVQRD-GOEBONIOSA-N 3 1 284.407 2.432 20 0 CEADMP C[C@@H]1C[C@@H]1C(N)=[NH+]OCC[N@H+](C)Cc1ccccc1 ZINC000848518085 642024529 /nfs/dbraw/zinc/02/45/29/642024529.db2.gz GSECKLJMZKUKBY-OCCSQVGLSA-N 2 1 261.369 2.273 20 0 CEADMP C[C@@H]1C[C@@H]1C(N)=[NH+]OCC[N@@H+](C)Cc1ccccc1 ZINC000848518085 642024536 /nfs/dbraw/zinc/02/45/36/642024536.db2.gz GSECKLJMZKUKBY-OCCSQVGLSA-N 2 1 261.369 2.273 20 0 CEADMP CC(C)C[N@@H+](C)CCCNCc1cnc(Cl)n1C ZINC000848558383 642052400 /nfs/dbraw/zinc/05/24/00/642052400.db2.gz PWSZYMNPIVYIOA-UHFFFAOYSA-N 2 1 272.824 2.141 20 0 CEADMP CC(C)[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995915589 642082300 /nfs/dbraw/zinc/08/23/00/642082300.db2.gz PESOLHXUPNFNJP-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP C[N@@H+](CCCNC(=[NH2+])NC1CCC1)C1CCCCC1 ZINC000848987786 642210068 /nfs/dbraw/zinc/21/00/68/642210068.db2.gz AHMKBLHHBCAZFH-UHFFFAOYSA-N 2 1 266.433 2.307 20 0 CEADMP CCNC(=[NH2+])NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848990059 642211127 /nfs/dbraw/zinc/21/11/27/642211127.db2.gz VNLRTRCXZHWXMI-ZBFHGGJFSA-N 2 1 288.439 2.421 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCSC(C)(C)C ZINC000848991725 642212599 /nfs/dbraw/zinc/21/25/99/642212599.db2.gz IIZGJVVCGAHCIS-GFCCVEGCSA-N 2 1 286.489 2.116 20 0 CEADMP COc1cccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000848996360 642215652 /nfs/dbraw/zinc/21/56/52/642215652.db2.gz QTGLRRVUSAVOPB-CYBMUJFWSA-N 2 1 290.411 2.362 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=[NH2+])NC2CCC2)C1 ZINC000848997304 642216913 /nfs/dbraw/zinc/21/69/13/642216913.db2.gz WYGONTCBRCNFQD-BETUJISGSA-N 2 1 280.460 2.409 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC/C=C\c1ccccc1 ZINC000849008767 642225388 /nfs/dbraw/zinc/22/53/88/642225388.db2.gz QVDAJEIVYSUEHC-CXSQMQJXSA-N 2 1 286.423 2.298 20 0 CEADMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCC2)[C@H]1c1cccs1 ZINC000849009996 642226964 /nfs/dbraw/zinc/22/69/64/642226964.db2.gz SCMQKEIFTUBCAA-JSGCOSHPSA-N 2 1 292.452 2.361 20 0 CEADMP c1nn(CC2CCC2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000921547263 642228676 /nfs/dbraw/zinc/22/86/76/642228676.db2.gz JGUKMNCMPZMLJO-IAGOWNOFSA-N 2 1 288.439 2.400 20 0 CEADMP c1nn(CC2CCC2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000921547263 642228678 /nfs/dbraw/zinc/22/86/78/642228678.db2.gz JGUKMNCMPZMLJO-IAGOWNOFSA-N 2 1 288.439 2.400 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000849023936 642237332 /nfs/dbraw/zinc/23/73/32/642237332.db2.gz MUBXNMLAJGBDGD-NSHDSACASA-N 2 1 254.422 2.019 20 0 CEADMP [NH2+]=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CCC1 ZINC000849024423 642237450 /nfs/dbraw/zinc/23/74/50/642237450.db2.gz OHCUZAWAKOSEMC-HNNXBMFYSA-N 2 1 286.423 2.175 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000849023935 642237521 /nfs/dbraw/zinc/23/75/21/642237521.db2.gz MUBXNMLAJGBDGD-LLVKDONJSA-N 2 1 254.422 2.019 20 0 CEADMP CC[C@@H]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849035404 642246665 /nfs/dbraw/zinc/24/66/65/642246665.db2.gz FOKGYJASMZISTK-ILXRZTDVSA-N 2 1 280.460 2.411 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921583593 642250594 /nfs/dbraw/zinc/25/05/94/642250594.db2.gz XVKUWXKTNWFUKZ-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921583593 642250595 /nfs/dbraw/zinc/25/05/95/642250595.db2.gz XVKUWXKTNWFUKZ-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP COc1cccc(NC(=[NH2+])NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000849041136 642251357 /nfs/dbraw/zinc/25/13/57/642251357.db2.gz LEIAEMFXXJFCFI-CYBMUJFWSA-N 2 1 290.411 2.363 20 0 CEADMP CS[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000921584959 642251815 /nfs/dbraw/zinc/25/18/15/642251815.db2.gz BGYRLANOEIDYPT-UKRRQHHQSA-N 2 1 286.485 2.097 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921625122 642286228 /nfs/dbraw/zinc/28/62/28/642286228.db2.gz QNOFVEXLTGIWHJ-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921625122 642286230 /nfs/dbraw/zinc/28/62/30/642286230.db2.gz QNOFVEXLTGIWHJ-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP CC(C)[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997641986 642312676 /nfs/dbraw/zinc/31/26/76/642312676.db2.gz LCYGGWZKHRDXTD-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997641000 642313181 /nfs/dbraw/zinc/31/31/81/642313181.db2.gz DNCLVIQXTQNLOO-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000999971538 642523989 /nfs/dbraw/zinc/52/39/89/642523989.db2.gz BKTYZMZGEMNVNY-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001016334389 642837961 /nfs/dbraw/zinc/83/79/61/642837961.db2.gz RMAPUNODBMLDSQ-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000110035800 643036916 /nfs/dbraw/zinc/03/69/16/643036916.db2.gz MCBSMTZAOFKMDV-UHFFFAOYSA-N 2 1 254.418 2.408 20 0 CEADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccco3)C2)[C@H]1C(C)C ZINC000922391958 643059112 /nfs/dbraw/zinc/05/91/12/643059112.db2.gz IFFPJUNTVRIKMF-QBPKDAKJSA-N 2 1 292.423 2.239 20 0 CEADMP CC[C@H](C)C[NH2+][C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922393484 643059530 /nfs/dbraw/zinc/05/95/30/643059530.db2.gz KVGHUWNALZBUTC-UTSKFRMZSA-N 2 1 282.472 2.492 20 0 CEADMP CC1(C)OC[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000851779074 643157874 /nfs/dbraw/zinc/15/78/74/643157874.db2.gz PYBZAWXZGWNHSY-LSDHHAIUSA-N 2 1 282.428 2.088 20 0 CEADMP CC1(C)OC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000851779074 643157878 /nfs/dbraw/zinc/15/78/78/643157878.db2.gz PYBZAWXZGWNHSY-LSDHHAIUSA-N 2 1 282.428 2.088 20 0 CEADMP CC(C)CC1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000851810545 643175696 /nfs/dbraw/zinc/17/56/96/643175696.db2.gz IQRXCHMJDKAPLJ-INIZCTEOSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)CC1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000851810545 643175702 /nfs/dbraw/zinc/17/57/02/643175702.db2.gz IQRXCHMJDKAPLJ-INIZCTEOSA-N 2 1 270.461 2.446 20 0 CEADMP CC[C@](C)(CC(=O)OC)[NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000851852465 643191632 /nfs/dbraw/zinc/19/16/32/643191632.db2.gz DACZCLJABISVIH-IIAWOOMASA-N 2 1 284.444 2.286 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1OC ZINC000925487561 643250385 /nfs/dbraw/zinc/25/03/85/643250385.db2.gz DIHIVDPWIMUPGZ-INIZCTEOSA-N 2 1 290.407 2.121 20 0 CEADMP CCCn1ccnc1CCC[N@@H+](C)CCOC(F)F ZINC000851985938 643253165 /nfs/dbraw/zinc/25/31/65/643253165.db2.gz WXYZKODSJYQDPU-UHFFFAOYSA-N 2 1 275.343 2.397 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOC(F)F ZINC000851985938 643253168 /nfs/dbraw/zinc/25/31/68/643253168.db2.gz WXYZKODSJYQDPU-UHFFFAOYSA-N 2 1 275.343 2.397 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOC(F)F ZINC000851985938 643253169 /nfs/dbraw/zinc/25/31/69/643253169.db2.gz WXYZKODSJYQDPU-UHFFFAOYSA-N 2 1 275.343 2.397 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)CC1(COC)CCC1 ZINC000877664183 650839904 /nfs/dbraw/zinc/83/99/04/650839904.db2.gz JEWBUFMEVONTTJ-UHFFFAOYSA-N 2 1 298.471 2.093 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@]2(c3ccccc3)CCCO2)CC1 ZINC000922960002 643476760 /nfs/dbraw/zinc/47/67/60/643476760.db2.gz JPNZWBFYSCHGDK-QGZVFWFLSA-N 2 1 274.408 2.376 20 0 CEADMP O[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000922989635 643498812 /nfs/dbraw/zinc/49/88/12/643498812.db2.gz VKYFXVFMNRCLCW-AHCXZYCDSA-N 2 1 286.419 2.251 20 0 CEADMP O[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922989635 643498816 /nfs/dbraw/zinc/49/88/16/643498816.db2.gz VKYFXVFMNRCLCW-AHCXZYCDSA-N 2 1 286.419 2.251 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000852711618 643520830 /nfs/dbraw/zinc/52/08/30/643520830.db2.gz HBWGRVNQGGUWGY-IAGOWNOFSA-N 2 1 280.456 2.488 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000852711618 643520837 /nfs/dbraw/zinc/52/08/37/643520837.db2.gz HBWGRVNQGGUWGY-IAGOWNOFSA-N 2 1 280.456 2.488 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)C1CCCC1 ZINC000852748575 643532989 /nfs/dbraw/zinc/53/29/89/643532989.db2.gz XHGGBMFTRBUCSB-JKSUJKDBSA-N 2 1 266.429 2.267 20 0 CEADMP c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852748695 643533039 /nfs/dbraw/zinc/53/30/39/643533039.db2.gz BFNPCAITHJRBPV-INMHGKMJSA-N 2 1 256.393 2.400 20 0 CEADMP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852748695 643533042 /nfs/dbraw/zinc/53/30/42/643533042.db2.gz BFNPCAITHJRBPV-INMHGKMJSA-N 2 1 256.393 2.400 20 0 CEADMP CO[C@@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CCCC1 ZINC000852750798 643535006 /nfs/dbraw/zinc/53/50/06/643535006.db2.gz GRBNYWSULPDOJQ-GJZGRUSLSA-N 2 1 252.402 2.020 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CCCC1 ZINC000852750798 643535009 /nfs/dbraw/zinc/53/50/09/643535009.db2.gz GRBNYWSULPDOJQ-GJZGRUSLSA-N 2 1 252.402 2.020 20 0 CEADMP [NH3+]CCCCCCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000852856307 643579594 /nfs/dbraw/zinc/57/95/94/643579594.db2.gz YLLROXVLKNVIOL-OAHLLOKOSA-N 2 1 295.471 2.419 20 0 CEADMP O[C@H](Cc1ccc2ccccc2c1)C[N@@H+]1CCC[NH2+]CC1 ZINC000923276993 643634027 /nfs/dbraw/zinc/63/40/27/643634027.db2.gz ISQZFJJVTZXVGV-GOSISDBHSA-N 2 1 284.403 2.039 20 0 CEADMP O[C@H](Cc1ccc2ccccc2c1)C[N@H+]1CCC[NH2+]CC1 ZINC000923276993 643634031 /nfs/dbraw/zinc/63/40/31/643634031.db2.gz ISQZFJJVTZXVGV-GOSISDBHSA-N 2 1 284.403 2.039 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000923290160 643642721 /nfs/dbraw/zinc/64/27/21/643642721.db2.gz UULCEIKIGYXWNV-UAGQMJEPSA-N 2 1 276.424 2.039 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000923289680 643643158 /nfs/dbraw/zinc/64/31/58/643643158.db2.gz RUXOKJATAKTUDE-ZNMIVQPWSA-N 2 1 256.434 2.377 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923327757 643659849 /nfs/dbraw/zinc/65/98/49/643659849.db2.gz VGLULPKFEJNBSV-YNBOMUFVSA-N 3 1 279.472 2.181 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923327757 643659852 /nfs/dbraw/zinc/65/98/52/643659852.db2.gz VGLULPKFEJNBSV-YNBOMUFVSA-N 3 1 279.472 2.181 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923327757 643659855 /nfs/dbraw/zinc/65/98/55/643659855.db2.gz VGLULPKFEJNBSV-YNBOMUFVSA-N 2 1 279.472 2.181 20 0 CEADMP CCc1onc(C)c1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923335187 643667032 /nfs/dbraw/zinc/66/70/32/643667032.db2.gz MIKYWOSCBQDWDI-LBPRGKRZSA-N 2 1 251.374 2.119 20 0 CEADMP CCc1onc(C)c1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000923335187 643667035 /nfs/dbraw/zinc/66/70/35/643667035.db2.gz MIKYWOSCBQDWDI-LBPRGKRZSA-N 2 1 251.374 2.119 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H](O)CCc3ccccc3)C[C@H]21 ZINC000923331660 643671754 /nfs/dbraw/zinc/67/17/54/643671754.db2.gz HTTDXJVBNJIRGL-BRSBDYLESA-N 2 1 288.435 2.039 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000923349672 643673192 /nfs/dbraw/zinc/67/31/92/643673192.db2.gz VSAJCFKEEKHOCC-CQSZACIVSA-N 2 1 250.361 2.429 20 0 CEADMP CCc1onc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000923346512 643676231 /nfs/dbraw/zinc/67/62/31/643676231.db2.gz ZQOMOVXTWLPMNC-WCQYABFASA-N 2 1 251.374 2.105 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000923346512 643676233 /nfs/dbraw/zinc/67/62/33/643676233.db2.gz ZQOMOVXTWLPMNC-WCQYABFASA-N 2 1 251.374 2.105 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923355266 643678367 /nfs/dbraw/zinc/67/83/67/643678367.db2.gz IKSJQVCJMMGSKP-JKSUJKDBSA-N 2 1 268.445 2.393 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000923354257 643678661 /nfs/dbraw/zinc/67/86/61/643678661.db2.gz RFVKOACRBGZUEA-LBPRGKRZSA-N 2 1 251.374 2.249 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923365232 643681298 /nfs/dbraw/zinc/68/12/98/643681298.db2.gz DCQPHOXKQCXWRC-CVEARBPZSA-N 2 1 266.429 2.003 20 0 CEADMP COC(=O)[C@H](C)[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1 ZINC000923375988 643685513 /nfs/dbraw/zinc/68/55/13/643685513.db2.gz GWLLUMCUMAAWBP-CJNGLKHVSA-N 2 1 290.407 2.269 20 0 CEADMP C[C@H]1CC[N@@H+](CCc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000923375337 643685560 /nfs/dbraw/zinc/68/55/60/643685560.db2.gz JZYNFJZTFILXJX-GXTWGEPZSA-N 2 1 250.361 2.285 20 0 CEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CCN1CCCCC1 ZINC000923389899 643689314 /nfs/dbraw/zinc/68/93/14/643689314.db2.gz AAPFTJZMACTUJR-ALOPSCKCSA-N 2 1 279.472 2.325 20 0 CEADMP CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC[NH+]1CCCCC1 ZINC000923389899 643689316 /nfs/dbraw/zinc/68/93/16/643689316.db2.gz AAPFTJZMACTUJR-ALOPSCKCSA-N 2 1 279.472 2.325 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)C1CCCCC1 ZINC000923372831 643689795 /nfs/dbraw/zinc/68/97/95/643689795.db2.gz KCKLLZWZOZLNJU-CVEARBPZSA-N 2 1 280.387 2.356 20 0 CEADMP CC1(C)CCC(C)(C)[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923398934 643696813 /nfs/dbraw/zinc/69/68/13/643696813.db2.gz OTNSKDBXFWMFCL-ZDUSSCGKSA-N 2 1 266.429 2.266 20 0 CEADMP CCc1onc(C)c1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923414706 643702155 /nfs/dbraw/zinc/70/21/55/643702155.db2.gz NVZIPHNXYJFALU-JSGCOSHPSA-N 2 1 263.385 2.119 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923414706 643702157 /nfs/dbraw/zinc/70/21/57/643702157.db2.gz NVZIPHNXYJFALU-JSGCOSHPSA-N 2 1 263.385 2.119 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000923428787 643707254 /nfs/dbraw/zinc/70/72/54/643707254.db2.gz RNKQXXBRTMWHIY-QZTJIDSGSA-N 2 1 288.435 2.494 20 0 CEADMP Cc1cc(C)c([C@H](C)[N@H+]2CCNCC[NH2+]CC2)c(C)c1 ZINC000923460598 643723086 /nfs/dbraw/zinc/72/30/86/643723086.db2.gz HIGVMVAKVRPJIA-INIZCTEOSA-N 2 1 275.440 2.168 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000923479815 643730652 /nfs/dbraw/zinc/73/06/52/643730652.db2.gz SUMCTFKGQHQAGJ-ZDUSSCGKSA-N 2 1 255.365 2.406 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)nc1Cl ZINC000923479791 643731063 /nfs/dbraw/zinc/73/10/63/643731063.db2.gz SOWDKTBPZDFFBF-LLVKDONJSA-N 2 1 253.777 2.214 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)CC[C@@H]1C[NH3+] ZINC000923495707 643733745 /nfs/dbraw/zinc/73/37/45/643733745.db2.gz FELZLCYHMRYDAT-GOEBONIOSA-N 2 1 284.407 2.289 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000923496513 643734017 /nfs/dbraw/zinc/73/40/17/643734017.db2.gz AHIFNRHBDKAHRH-SKDRFNHKSA-N 2 1 253.415 2.177 20 0 CEADMP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923492049 643736078 /nfs/dbraw/zinc/73/60/78/643736078.db2.gz MVUYJLOYIOLKKA-UKRRQHHQSA-N 2 1 289.423 2.247 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC(C)(C)CO2)CC[C@H]1C[NH3+] ZINC000923492117 643736280 /nfs/dbraw/zinc/73/62/80/643736280.db2.gz WBXPQANINJSXJD-HZSPNIEDSA-N 2 1 254.418 2.108 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(O)ccc2Cl)CC[C@H]1C[NH3+] ZINC000923490960 643736463 /nfs/dbraw/zinc/73/64/63/643736463.db2.gz PFSRQNMCKHTPPG-QWRGUYRKSA-N 2 1 268.788 2.462 20 0 CEADMP CC(C)c1noc([C@H](C)[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923502531 643737985 /nfs/dbraw/zinc/73/79/85/643737985.db2.gz ZNSMIDRURXSKSV-SDDRHHMPSA-N 2 1 266.389 2.171 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1)C1CCCC1 ZINC000923496788 643739636 /nfs/dbraw/zinc/73/96/36/643739636.db2.gz DNOOLNCHPPOUJH-HUUCEWRRSA-N 2 1 295.471 2.083 20 0 CEADMP CCc1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923500223 643740336 /nfs/dbraw/zinc/74/03/36/643740336.db2.gz VOXADLCVMHLVSH-QWRGUYRKSA-N 2 1 253.415 2.122 20 0 CEADMP C[C@H]1CCCC[C@H]1OCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501454 643741986 /nfs/dbraw/zinc/74/19/86/643741986.db2.gz UNNAYYGSEPVYDJ-XUWVNRHRSA-N 2 1 268.445 2.498 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501451 643742300 /nfs/dbraw/zinc/74/23/00/643742300.db2.gz UNNAYYGSEPVYDJ-KLHDSHLOSA-N 2 1 268.445 2.498 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)[C@H]2C[NH+]3CCC2CC3)c1C ZINC000877707004 650862748 /nfs/dbraw/zinc/86/27/48/650862748.db2.gz XESBXNOMZVTOHO-INIZCTEOSA-N 2 1 289.423 2.233 20 0 CEADMP Cc1nnc([C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)[nH]1 ZINC000923505392 643743206 /nfs/dbraw/zinc/74/32/06/643743206.db2.gz ANWRRBYMURZWSU-GXTWGEPZSA-N 2 1 291.443 2.276 20 0 CEADMP ClC1(Cl)C[C@H]1CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521242 643749231 /nfs/dbraw/zinc/74/92/31/643749231.db2.gz KQZNQNCCEWPSEJ-HBNTYKKESA-N 2 1 263.212 2.112 20 0 CEADMP OC[C@H]1CCCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000923529874 643750544 /nfs/dbraw/zinc/75/05/44/643750544.db2.gz CMVDFHKQBJIJGK-OAHLLOKOSA-N 2 1 254.418 2.003 20 0 CEADMP C[NH+](C)CCC[N@H+](C)CCNc1cccc(Cl)n1 ZINC000853800226 643905774 /nfs/dbraw/zinc/90/57/74/643905774.db2.gz ZMBRTSJOHIAZFP-UHFFFAOYSA-N 2 1 270.808 2.030 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)CCNc1cccc(Cl)n1 ZINC000853800226 643905775 /nfs/dbraw/zinc/90/57/75/643905775.db2.gz ZMBRTSJOHIAZFP-UHFFFAOYSA-N 2 1 270.808 2.030 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1C ZINC000877739611 650883333 /nfs/dbraw/zinc/88/33/33/650883333.db2.gz OWLRXJOSYWGVSB-HOCLYGCPSA-N 2 1 289.423 2.233 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1C ZINC000877739611 650883335 /nfs/dbraw/zinc/88/33/35/650883335.db2.gz OWLRXJOSYWGVSB-HOCLYGCPSA-N 2 1 289.423 2.233 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4nccnc4c3)CC[C@@H]21 ZINC000877739309 650881484 /nfs/dbraw/zinc/88/14/84/650881484.db2.gz NZWLJCWJHABPHD-YOEHRIQHSA-N 2 1 282.391 2.156 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc4nccnc4c3)CC[C@@H]21 ZINC000877739309 650881486 /nfs/dbraw/zinc/88/14/86/650881486.db2.gz NZWLJCWJHABPHD-YOEHRIQHSA-N 2 1 282.391 2.156 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4nccnc4c3)CC[C@@H]21 ZINC000877739309 650881489 /nfs/dbraw/zinc/88/14/89/650881489.db2.gz NZWLJCWJHABPHD-YOEHRIQHSA-N 2 1 282.391 2.156 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4nccnc4c3)CC[C@@H]21 ZINC000877739309 650881491 /nfs/dbraw/zinc/88/14/91/650881491.db2.gz NZWLJCWJHABPHD-YOEHRIQHSA-N 2 1 282.391 2.156 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1C ZINC000877739612 650883005 /nfs/dbraw/zinc/88/30/05/650883005.db2.gz OWLRXJOSYWGVSB-ZBFHGGJFSA-N 2 1 289.423 2.233 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1C ZINC000877739612 650883006 /nfs/dbraw/zinc/88/30/06/650883006.db2.gz OWLRXJOSYWGVSB-ZBFHGGJFSA-N 2 1 289.423 2.233 20 0 CEADMP CC(=O)Nc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877744323 650890032 /nfs/dbraw/zinc/89/00/32/650890032.db2.gz RNAJJCOFOOVMDE-WBVHZDCISA-N 2 1 287.407 2.171 20 0 CEADMP CC(=O)Nc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877744323 650890034 /nfs/dbraw/zinc/89/00/34/650890034.db2.gz RNAJJCOFOOVMDE-WBVHZDCISA-N 2 1 287.407 2.171 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877744323 650890037 /nfs/dbraw/zinc/89/00/37/650890037.db2.gz RNAJJCOFOOVMDE-WBVHZDCISA-N 2 1 287.407 2.171 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877744323 650890038 /nfs/dbraw/zinc/89/00/38/650890038.db2.gz RNAJJCOFOOVMDE-WBVHZDCISA-N 2 1 287.407 2.171 20 0 CEADMP COCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877742969 650887471 /nfs/dbraw/zinc/88/74/71/650887471.db2.gz HRJIVAKNVWXYIJ-SJORKVTESA-N 2 1 274.408 2.359 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877742969 650887473 /nfs/dbraw/zinc/88/74/73/650887473.db2.gz HRJIVAKNVWXYIJ-SJORKVTESA-N 2 1 274.408 2.359 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877742969 650887478 /nfs/dbraw/zinc/88/74/78/650887478.db2.gz HRJIVAKNVWXYIJ-SJORKVTESA-N 2 1 274.408 2.359 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877742969 650887483 /nfs/dbraw/zinc/88/74/83/650887483.db2.gz HRJIVAKNVWXYIJ-SJORKVTESA-N 2 1 274.408 2.359 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000877744415 650891117 /nfs/dbraw/zinc/89/11/17/650891117.db2.gz SQWHZPAIUJRNPM-WMZOPIPTSA-N 2 1 296.418 2.398 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000877744415 650891129 /nfs/dbraw/zinc/89/11/29/650891129.db2.gz SQWHZPAIUJRNPM-WMZOPIPTSA-N 2 1 296.418 2.398 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000877744415 650891135 /nfs/dbraw/zinc/89/11/35/650891135.db2.gz SQWHZPAIUJRNPM-WMZOPIPTSA-N 2 1 296.418 2.398 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000877744415 650891138 /nfs/dbraw/zinc/89/11/38/650891138.db2.gz SQWHZPAIUJRNPM-WMZOPIPTSA-N 2 1 296.418 2.398 20 0 CEADMP C[C@H](C[C@H]1CCOC1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839180987 644181554 /nfs/dbraw/zinc/18/15/54/644181554.db2.gz FVMMRASXOVZRKB-QLFBSQMISA-N 2 1 254.418 2.123 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCCCCCO ZINC000749547517 644272150 /nfs/dbraw/zinc/27/21/50/644272150.db2.gz XXKUWELWZZRJBH-IKGGRYGDSA-N 2 1 298.471 2.113 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCCCCCO ZINC000749547521 644272274 /nfs/dbraw/zinc/27/22/74/644272274.db2.gz XXKUWELWZZRJBH-ZACQAIPSSA-N 2 1 298.471 2.113 20 0 CEADMP C[C@@H](NCC[NH+]1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754465121 644376335 /nfs/dbraw/zinc/37/63/35/644376335.db2.gz SCSICXDKETZFFP-CVEARBPZSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]([NH2+]CCN1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754465121 644376340 /nfs/dbraw/zinc/37/63/40/644376340.db2.gz SCSICXDKETZFFP-CVEARBPZSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]([NH2+]CCN1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754465121 644376343 /nfs/dbraw/zinc/37/63/43/644376343.db2.gz SCSICXDKETZFFP-CVEARBPZSA-N 2 1 279.472 2.325 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113512963 644416145 /nfs/dbraw/zinc/41/61/45/644416145.db2.gz DHIXJZITGBCCCR-OAHLLOKOSA-N 2 1 262.397 2.257 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113512963 644416151 /nfs/dbraw/zinc/41/61/51/644416151.db2.gz DHIXJZITGBCCCR-OAHLLOKOSA-N 2 1 262.397 2.257 20 0 CEADMP c1ccc(NCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000754793235 644431360 /nfs/dbraw/zinc/43/13/60/644431360.db2.gz DSFIBFXHWSHXAY-CVEARBPZSA-N 2 1 259.397 2.315 20 0 CEADMP C[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000925489701 644553130 /nfs/dbraw/zinc/55/31/30/644553130.db2.gz FLTRVEVNVUTCJI-ZTFGCOKTSA-N 2 1 299.462 2.293 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)N1CCc2ccccc2C1 ZINC000925489701 644553134 /nfs/dbraw/zinc/55/31/34/644553134.db2.gz FLTRVEVNVUTCJI-ZTFGCOKTSA-N 2 1 299.462 2.293 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH2+]C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000925491026 644810714 /nfs/dbraw/zinc/81/07/14/644810714.db2.gz IQRIYBLMDNOLLS-CRAIPNDOSA-N 2 1 299.462 2.307 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857252947 644870739 /nfs/dbraw/zinc/87/07/39/644870739.db2.gz GBYJSOZZOKUTCT-OPRDCNLKSA-N 2 1 251.201 2.158 20 0 CEADMP C[NH+](C)C1CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000877959436 650958507 /nfs/dbraw/zinc/95/85/07/650958507.db2.gz MCSNJMUYGWDMTL-AWEZNQCLSA-N 2 1 252.402 2.114 20 0 CEADMP COc1ccccc1[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858105270 645062709 /nfs/dbraw/zinc/06/27/09/645062709.db2.gz LAGQEQXRVAERFD-ZFWWWQNUSA-N 2 1 292.423 2.191 20 0 CEADMP C[N@@H+]1Cc2ccccc2[C@H](Nc2cc[nH+]c(CO)c2)C1 ZINC000858459292 645167651 /nfs/dbraw/zinc/16/76/51/645167651.db2.gz UZANNLUNROKUFR-MRXNPFEDSA-N 2 1 269.348 2.173 20 0 CEADMP OCc1cc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc[nH+]1 ZINC000858627108 645224841 /nfs/dbraw/zinc/22/48/41/645224841.db2.gz JCKSABGLQIALDJ-CQSZACIVSA-N 2 1 275.396 2.393 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@H](O)C(C)C)C1 ZINC000878148532 651013715 /nfs/dbraw/zinc/01/37/15/651013715.db2.gz ORORZYUPBBGAHH-CABCVRRESA-N 2 1 256.434 2.057 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC3(CCC3)CO2)CC[N@@H+]1C ZINC000878162622 651019566 /nfs/dbraw/zinc/01/95/66/651019566.db2.gz HSTOJZJIUMOAML-KFWWJZLASA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC3(CCC3)CO2)CC[N@H+]1C ZINC000878162622 651019570 /nfs/dbraw/zinc/01/95/70/651019570.db2.gz HSTOJZJIUMOAML-KFWWJZLASA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC3(CCC3)CO2)CC[NH+]1C ZINC000878162622 651019573 /nfs/dbraw/zinc/01/95/73/651019573.db2.gz HSTOJZJIUMOAML-KFWWJZLASA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC3(CCC3)CO2)CC[NH+]1C ZINC000878162622 651019585 /nfs/dbraw/zinc/01/95/85/651019585.db2.gz HSTOJZJIUMOAML-KFWWJZLASA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCC3(CCOCC3)O2)CC[N@@H+]1C ZINC000878163837 651019928 /nfs/dbraw/zinc/01/99/28/651019928.db2.gz XLRSITAWVQNTHW-BZUAXINKSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCC3(CCOCC3)O2)CC[N@H+]1C ZINC000878163837 651019931 /nfs/dbraw/zinc/01/99/31/651019931.db2.gz XLRSITAWVQNTHW-BZUAXINKSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCC3(CCOCC3)O2)CC[NH+]1C ZINC000878163837 651019938 /nfs/dbraw/zinc/01/99/38/651019938.db2.gz XLRSITAWVQNTHW-BZUAXINKSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCC3(CCOCC3)O2)CC[NH+]1C ZINC000878163837 651019939 /nfs/dbraw/zinc/01/99/39/651019939.db2.gz XLRSITAWVQNTHW-BZUAXINKSA-N 2 1 296.455 2.129 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000878165410 651021841 /nfs/dbraw/zinc/02/18/41/651021841.db2.gz YMZDVJRNWKJHHQ-CWRNSKLLSA-N 2 1 266.429 2.360 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000878165410 651021842 /nfs/dbraw/zinc/02/18/42/651021842.db2.gz YMZDVJRNWKJHHQ-CWRNSKLLSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](C)CCCC1CC[NH+](CN2CCSC2=O)CC1 ZINC000766383540 645878885 /nfs/dbraw/zinc/87/88/85/645878885.db2.gz VUELMZAYOKUPNF-UHFFFAOYSA-N 2 1 285.457 2.167 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCC1CC1 ZINC000878288231 651054000 /nfs/dbraw/zinc/05/40/00/651054000.db2.gz SVLATDVKOKAOKV-OWCLPIDISA-N 2 1 266.429 2.360 20 0 CEADMP Cc1ncc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000862352443 646406866 /nfs/dbraw/zinc/40/68/66/646406866.db2.gz HDOMSIYGJGVRLZ-UHFFFAOYSA-N 2 1 263.385 2.291 20 0 CEADMP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000772977708 646691866 /nfs/dbraw/zinc/69/18/66/646691866.db2.gz LQEMYLKQZZMEBW-DZGCQCFKSA-N 2 1 297.443 2.068 20 0 CEADMP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000772977708 646691867 /nfs/dbraw/zinc/69/18/67/646691867.db2.gz LQEMYLKQZZMEBW-DZGCQCFKSA-N 2 1 297.443 2.068 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000773013315 646696234 /nfs/dbraw/zinc/69/62/34/646696234.db2.gz YFVLNQWMIOEGBK-OLMNPRSZSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000773013315 646696238 /nfs/dbraw/zinc/69/62/38/646696238.db2.gz YFVLNQWMIOEGBK-OLMNPRSZSA-N 2 1 288.435 2.400 20 0 CEADMP Cn1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000863544073 646752865 /nfs/dbraw/zinc/75/28/65/646752865.db2.gz KHISAROMLYYSIA-OLZOCXBDSA-N 2 1 296.846 2.285 20 0 CEADMP Cn1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000863544073 646752868 /nfs/dbraw/zinc/75/28/68/646752868.db2.gz KHISAROMLYYSIA-OLZOCXBDSA-N 2 1 296.846 2.285 20 0 CEADMP C([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000775369821 646946463 /nfs/dbraw/zinc/94/64/63/646946463.db2.gz RKYYWXPEWXXCQI-ZGKBOVNRSA-N 2 1 298.521 2.440 20 0 CEADMP C[C@H]1C[C@H]1NC(=[NH2+])NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000864450675 647006734 /nfs/dbraw/zinc/00/67/34/647006734.db2.gz BJYBFAGUSOWHSJ-LJISPDSOSA-N 2 1 280.460 2.267 20 0 CEADMP CC[C@H]1CCN(C(=[NH2+])NCC[N@@H+](C)C2CCCC2)C1 ZINC000864458495 647013122 /nfs/dbraw/zinc/01/31/22/647013122.db2.gz MBPJLUSVQLERCJ-ZDUSSCGKSA-N 2 1 266.433 2.117 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC(CNC(C)=O)CC2)C1 ZINC000865437897 647292148 /nfs/dbraw/zinc/29/21/48/647292148.db2.gz WJGFUAQBONNAHP-AQFXKWCLSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H]1C[C@H](Nc2cc[nH+]cc2C(F)(F)F)CC[N@H+]1C ZINC000865557945 647359930 /nfs/dbraw/zinc/35/99/30/647359930.db2.gz OCUCNXYCZCITJJ-VHSXEESVSA-N 2 1 273.302 2.417 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cn(C3CC3)cn2)C1 ZINC000865600196 647379732 /nfs/dbraw/zinc/37/97/32/647379732.db2.gz HAEQNIWPRFEPHK-CYBMUJFWSA-N 2 1 262.401 2.040 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2ccc(C3(C)OCCO3)cc2)CC1 ZINC000865670027 647416652 /nfs/dbraw/zinc/41/66/52/647416652.db2.gz NXPUABOHTXLGKO-UHFFFAOYSA-N 2 1 290.407 2.090 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CC(C)(C)CC[C@H]2O)CC1(C)C ZINC000865699890 647430275 /nfs/dbraw/zinc/43/02/75/647430275.db2.gz LOIYFVPZDUVSQU-MGPQQGTHSA-N 2 1 268.445 2.388 20 0 CEADMP CC(C)[NH+]1CCC(CC[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000865715627 647436526 /nfs/dbraw/zinc/43/65/26/647436526.db2.gz VVTZEEXDHOZLAD-UHFFFAOYSA-N 3 1 267.461 2.181 20 0 CEADMP CCOCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000782959052 647665632 /nfs/dbraw/zinc/66/56/32/647665632.db2.gz KPKGQGODZICMIF-INIZCTEOSA-N 2 1 292.423 2.491 20 0 CEADMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000783247695 647701059 /nfs/dbraw/zinc/70/10/59/647701059.db2.gz IYNXSUSWDUVGMI-ABAIWWIYSA-N 2 1 274.412 2.450 20 0 CEADMP COC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000866505718 647809389 /nfs/dbraw/zinc/80/93/89/647809389.db2.gz SVMLECUYKJWBQP-BFHYXJOUSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)[C@@H](C)C1 ZINC000866537134 647819117 /nfs/dbraw/zinc/81/91/17/647819117.db2.gz LFQGARLCYICESQ-QSPRXWTASA-N 2 1 280.456 2.369 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CC1(O)CCCCC1)CC2 ZINC000784255896 647824703 /nfs/dbraw/zinc/82/47/03/647824703.db2.gz ZQSZCNAPAKFSRP-UHFFFAOYSA-N 2 1 266.429 2.242 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](O)C2CCCC2)[C@H](C)C1 ZINC000866636307 647849887 /nfs/dbraw/zinc/84/98/87/647849887.db2.gz JGCCPNNQEFARFU-VNQPRFMTSA-N 2 1 268.445 2.248 20 0 CEADMP c1oc(C2CC2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666278 647861910 /nfs/dbraw/zinc/86/19/10/647861910.db2.gz PAZLLMIFGVDXOR-ZIAGYGMSSA-N 2 1 275.396 2.374 20 0 CEADMP CC(=O)Nc1cccc2c1C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000866683472 647867729 /nfs/dbraw/zinc/86/77/29/647867729.db2.gz CPHLGNDKXVCEMU-UHFFFAOYSA-N 2 1 287.407 2.003 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H](OC)CC[C@H]2C)cc1 ZINC000866685255 647868619 /nfs/dbraw/zinc/86/86/19/647868619.db2.gz GOFAMCKMSSNBFO-FRFSOERESA-N 2 1 292.423 2.237 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866697067 647872568 /nfs/dbraw/zinc/87/25/68/647872568.db2.gz FCARTXXMYAQQJC-ZBFHGGJFSA-N 2 1 266.429 2.410 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702580 647874629 /nfs/dbraw/zinc/87/46/29/647874629.db2.gz CUIXFKNHNHKGRG-ZQIUZPCESA-N 2 1 297.487 2.377 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702579 647874747 /nfs/dbraw/zinc/87/47/47/647874747.db2.gz CUIXFKNHNHKGRG-VBQJREDUSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705359 647876925 /nfs/dbraw/zinc/87/69/25/647876925.db2.gz YLUCMUMPUGIRGB-DYVFJYSZSA-N 2 1 295.471 2.131 20 0 CEADMP C/C=C(/CC)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000788817608 648226963 /nfs/dbraw/zinc/22/69/63/648226963.db2.gz FLNLXVGLTCDOHH-PQMHYQBVSA-N 2 1 288.395 2.128 20 0 CEADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n(C)n1 ZINC000793526071 648770304 /nfs/dbraw/zinc/77/03/04/648770304.db2.gz WMIJAZPHKFFWOK-MELADBBJSA-N 2 1 262.401 2.006 20 0 CEADMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n(C)n1 ZINC000793526071 648770306 /nfs/dbraw/zinc/77/03/06/648770306.db2.gz WMIJAZPHKFFWOK-MELADBBJSA-N 2 1 262.401 2.006 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)[C@H](C)C1 ZINC000872106678 649279508 /nfs/dbraw/zinc/27/95/08/649279508.db2.gz JVZUOTUPMVQUCW-RDBSUJKOSA-N 2 1 254.418 2.121 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000872143135 649292363 /nfs/dbraw/zinc/29/23/63/649292363.db2.gz MRLPEWQGFAZRBQ-CAOSSQGBSA-N 2 1 266.429 2.123 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)CO2)CC[C@@H]1[NH3+] ZINC000872144220 649294508 /nfs/dbraw/zinc/29/45/08/649294508.db2.gz YGHADFSTZFZGJS-MCIONIFRSA-N 2 1 252.402 2.005 20 0 CEADMP CC1([NH+]2CCCCC2)CCN(CC2CC[NH2+]CC2)CC1 ZINC000872146125 649296147 /nfs/dbraw/zinc/29/61/47/649296147.db2.gz GIBPOGFHDKDVDU-UHFFFAOYSA-N 2 1 279.472 2.326 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)nc1 ZINC000872154876 649298407 /nfs/dbraw/zinc/29/84/07/649298407.db2.gz CXHWLYMLOPRDID-ZJUUUORDSA-N 2 1 273.302 2.361 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872282221 649343316 /nfs/dbraw/zinc/34/33/16/649343316.db2.gz DWPHXINLWJMTDG-DOTOQJQBSA-N 2 1 298.471 2.111 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872282221 649343318 /nfs/dbraw/zinc/34/33/18/649343318.db2.gz DWPHXINLWJMTDG-DOTOQJQBSA-N 2 1 298.471 2.111 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872282221 649343321 /nfs/dbraw/zinc/34/33/21/649343321.db2.gz DWPHXINLWJMTDG-DOTOQJQBSA-N 2 1 298.471 2.111 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872282221 649343324 /nfs/dbraw/zinc/34/33/24/649343324.db2.gz DWPHXINLWJMTDG-DOTOQJQBSA-N 2 1 298.471 2.111 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000873155824 649573626 /nfs/dbraw/zinc/57/36/26/649573626.db2.gz MDNUOQBHHDOTSD-ZDUSSCGKSA-N 2 1 263.385 2.052 20 0 CEADMP C[C@@H]1C[C@@H](N(C)Cc2cc3c(s2)CC[NH2+]C3)CC[N@H+]1C ZINC000873208363 649589651 /nfs/dbraw/zinc/58/96/51/649589651.db2.gz UTFLIPOYSLJKTG-OCCSQVGLSA-N 2 1 293.480 2.308 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)CCN1C ZINC000873208363 649589655 /nfs/dbraw/zinc/58/96/55/649589655.db2.gz UTFLIPOYSLJKTG-OCCSQVGLSA-N 2 1 293.480 2.308 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)CCN1C ZINC000873208363 649589659 /nfs/dbraw/zinc/58/96/59/649589659.db2.gz UTFLIPOYSLJKTG-OCCSQVGLSA-N 2 1 293.480 2.308 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@@H](C)[C@H](C)O1 ZINC000873209215 649591000 /nfs/dbraw/zinc/59/10/00/649591000.db2.gz JTVQXUYQOKMUGN-WOPDTQHZSA-N 2 1 280.437 2.392 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@@H](C)[C@H](C)O1 ZINC000873209215 649591003 /nfs/dbraw/zinc/59/10/03/649591003.db2.gz JTVQXUYQOKMUGN-WOPDTQHZSA-N 2 1 280.437 2.392 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@H](C)[C@@H](C)O1 ZINC000873209211 649591150 /nfs/dbraw/zinc/59/11/50/649591150.db2.gz JTVQXUYQOKMUGN-IJLUTSLNSA-N 2 1 280.437 2.392 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@H](C)[C@@H](C)O1 ZINC000873209211 649591151 /nfs/dbraw/zinc/59/11/51/649591151.db2.gz JTVQXUYQOKMUGN-IJLUTSLNSA-N 2 1 280.437 2.392 20 0 CEADMP C[C@H](O)c1ncc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223661 649597862 /nfs/dbraw/zinc/59/78/62/649597862.db2.gz QSJZVKXHSAUXLB-NHYWBVRUSA-N 2 1 297.468 2.393 20 0 CEADMP C[C@H](O)c1ncc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223661 649597866 /nfs/dbraw/zinc/59/78/66/649597866.db2.gz QSJZVKXHSAUXLB-NHYWBVRUSA-N 2 1 297.468 2.393 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1nccc3ccccc31)C2 ZINC000873228991 649600370 /nfs/dbraw/zinc/60/03/70/649600370.db2.gz MQTZMJFECIMZBY-WMLDXEAASA-N 2 1 267.376 2.276 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1nccc3ccccc31)C2 ZINC000873228991 649600373 /nfs/dbraw/zinc/60/03/73/649600373.db2.gz MQTZMJFECIMZBY-WMLDXEAASA-N 2 1 267.376 2.276 20 0 CEADMP Cc1c[nH]nc1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873231485 649602366 /nfs/dbraw/zinc/60/23/66/649602366.db2.gz OGTSIXITELQQMP-CQSZACIVSA-N 2 1 262.401 2.120 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC(C)(C)C[NH2+]2)[C@H]2CCC[C@@H]21 ZINC000873236716 649604998 /nfs/dbraw/zinc/60/49/98/649604998.db2.gz IZBSFKRCFGWJJO-FZKCQIBNSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1c2ccccc2CN1C)c1c[nH+]ccc1N ZINC000873264987 649617258 /nfs/dbraw/zinc/61/72/58/649617258.db2.gz GFXGGYRREXDZMM-PXAZEXFGSA-N 2 1 282.391 2.331 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cc2c([nH]c1=O)CCCC2 ZINC000873276568 649621992 /nfs/dbraw/zinc/62/19/92/649621992.db2.gz QFYGFFSANBGPIN-GDBMZVCRSA-N 2 1 289.423 2.416 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)s1)C1C[NH2+]C1 ZINC000873281375 649623780 /nfs/dbraw/zinc/62/37/80/649623780.db2.gz HZLWGAQYKQSEFX-SSDOTTSWSA-N 2 1 264.316 2.464 20 0 CEADMP CCC[NH+]1CCC([N@H+](C)CC(OCC)OCC)CC1 ZINC000124546445 649686466 /nfs/dbraw/zinc/68/64/66/649686466.db2.gz NKIOCPPVCFEHOQ-UHFFFAOYSA-N 2 1 272.433 2.192 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CC(OCC)OCC)CC1 ZINC000124546445 649686469 /nfs/dbraw/zinc/68/64/69/649686469.db2.gz NKIOCPPVCFEHOQ-UHFFFAOYSA-N 2 1 272.433 2.192 20 0 CEADMP Cc1ccc([C@@H](O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000878864953 651200328 /nfs/dbraw/zinc/20/03/28/651200328.db2.gz QQBNAYMYDANKLW-KRWDZBQOSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccnc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC000879250190 651269988 /nfs/dbraw/zinc/26/99/88/651269988.db2.gz PGLHRHBOEIARFR-UHFFFAOYSA-N 2 1 274.412 2.093 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879582235 651327078 /nfs/dbraw/zinc/32/70/78/651327078.db2.gz QVVCIGHMWWOORD-KGLIPLIRSA-N 2 1 282.428 2.134 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879582235 651327080 /nfs/dbraw/zinc/32/70/80/651327080.db2.gz QVVCIGHMWWOORD-KGLIPLIRSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879582235 651327082 /nfs/dbraw/zinc/32/70/82/651327082.db2.gz QVVCIGHMWWOORD-KGLIPLIRSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879582235 651327083 /nfs/dbraw/zinc/32/70/83/651327083.db2.gz QVVCIGHMWWOORD-KGLIPLIRSA-N 2 1 282.428 2.134 20 0 CEADMP COC(=O)/C(C)=C\C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703864 651341491 /nfs/dbraw/zinc/34/14/91/651341491.db2.gz DKBALABTWYZYHW-UUASQNMZSA-N 2 1 296.455 2.406 20 0 CEADMP CC(C)CC(=O)N1CCC[N@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000879761042 651348496 /nfs/dbraw/zinc/34/84/96/651348496.db2.gz STCTWONPVINWPM-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC(=O)N1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000879761042 651348498 /nfs/dbraw/zinc/34/84/98/651348498.db2.gz STCTWONPVINWPM-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC(=O)N1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000879761042 651348499 /nfs/dbraw/zinc/34/84/99/651348499.db2.gz STCTWONPVINWPM-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC(=O)N1CCC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000879761042 651348501 /nfs/dbraw/zinc/34/85/01/651348501.db2.gz STCTWONPVINWPM-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC1([NH+]2CCCCC2)CC[NH+](CCC2OCCCO2)CC1 ZINC000879948863 651364019 /nfs/dbraw/zinc/36/40/19/651364019.db2.gz MXTHYVBIGOPQMS-UHFFFAOYSA-N 2 1 296.455 2.480 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1C ZINC000880134529 651388281 /nfs/dbraw/zinc/38/82/81/651388281.db2.gz SWHOSFMMAOPTIQ-JKSUJKDBSA-N 2 1 289.423 2.376 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]3[C@H]2CCC[N@H+]3C)c1C ZINC000880134529 651388282 /nfs/dbraw/zinc/38/82/82/651388282.db2.gz SWHOSFMMAOPTIQ-JKSUJKDBSA-N 2 1 289.423 2.376 20 0 CEADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2CCC[NH+]1CCCCC1 ZINC000880136181 651389438 /nfs/dbraw/zinc/38/94/38/651389438.db2.gz HJNZLJGYUHZNEC-CVEARBPZSA-N 2 1 265.445 2.031 20 0 CEADMP CC[C@@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)OC ZINC000880258151 651411101 /nfs/dbraw/zinc/41/11/01/651411101.db2.gz DHTBYOXZSJVIST-ZFWWWQNUSA-N 2 1 263.385 2.017 20 0 CEADMP Cc1oncc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258893 651411145 /nfs/dbraw/zinc/41/11/45/651411145.db2.gz DQCRZLUXYPONHG-LBPRGKRZSA-N 2 1 272.352 2.089 20 0 CEADMP Cc1oncc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258893 651411146 /nfs/dbraw/zinc/41/11/46/651411146.db2.gz DQCRZLUXYPONHG-LBPRGKRZSA-N 2 1 272.352 2.089 20 0 CEADMP C[C@H]1CN(CC[C@@H]2CCC[N@H+]2C)CCN1c1cc[nH+]cc1 ZINC000880259045 651411741 /nfs/dbraw/zinc/41/17/41/651411741.db2.gz HCLJUOANROOWGC-HOTGVXAUSA-N 2 1 288.439 2.076 20 0 CEADMP C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)CCN1c1cc[nH+]cc1 ZINC000880259046 651411812 /nfs/dbraw/zinc/41/18/12/651411812.db2.gz HCLJUOANROOWGC-HZPDHXFCSA-N 2 1 288.439 2.076 20 0 CEADMP CCSCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259811 651412343 /nfs/dbraw/zinc/41/23/43/651412343.db2.gz JCDYZVMDEUMARK-ZDUSSCGKSA-N 2 1 265.426 2.345 20 0 CEADMP COc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)ccn1 ZINC000880261576 651412737 /nfs/dbraw/zinc/41/27/37/651412737.db2.gz WZTOQEGTJFVFNS-AWEZNQCLSA-N 2 1 298.390 2.196 20 0 CEADMP COc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)ccn1 ZINC000880261576 651412738 /nfs/dbraw/zinc/41/27/38/651412738.db2.gz WZTOQEGTJFVFNS-AWEZNQCLSA-N 2 1 298.390 2.196 20 0 CEADMP FC[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](CF)C2)C1 ZINC000880296766 651418592 /nfs/dbraw/zinc/41/85/92/651418592.db2.gz GBTRZPDDHZFCIP-FAVCQXFFSA-N 2 1 258.356 2.125 20 0 CEADMP CO[C@@]1(C(F)(F)F)CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000880306545 651421258 /nfs/dbraw/zinc/42/12/58/651421258.db2.gz VJLZVXIEBRXSBD-LBPRGKRZSA-N 2 1 291.317 2.235 20 0 CEADMP CO[C@@]1(C(F)(F)F)CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000880306545 651421259 /nfs/dbraw/zinc/42/12/59/651421259.db2.gz VJLZVXIEBRXSBD-LBPRGKRZSA-N 2 1 291.317 2.235 20 0 CEADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@H](CO)c1ccccc1 ZINC000880460920 651444746 /nfs/dbraw/zinc/44/47/46/651444746.db2.gz APVCSZKDAQEKGX-QGZVFWFLSA-N 2 1 287.407 2.408 20 0 CEADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@H](CO)c1ccccc1 ZINC000880460920 651444747 /nfs/dbraw/zinc/44/47/47/651444747.db2.gz APVCSZKDAQEKGX-QGZVFWFLSA-N 2 1 287.407 2.408 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883177848 652390106 /nfs/dbraw/zinc/39/01/06/652390106.db2.gz JUZRHYRUZURQBK-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000883243148 652412336 /nfs/dbraw/zinc/41/23/36/652412336.db2.gz BXDSRLQFVLDPQS-CQSZACIVSA-N 2 1 277.412 2.442 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@H](OC)C2)[C@H](C)C1 ZINC000883270237 652419625 /nfs/dbraw/zinc/41/96/25/652419625.db2.gz IZVRBMJYUAHBAA-QBPKDAKJSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@H](CCO)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883347704 652437594 /nfs/dbraw/zinc/43/75/94/652437594.db2.gz XSODRAWNMPUJJS-PBHICJAKSA-N 2 1 289.423 2.154 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883416212 652462149 /nfs/dbraw/zinc/46/21/49/652462149.db2.gz PFFNDNLNVFWDII-JYJNAYRXSA-N 2 1 296.455 2.164 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883416212 652462152 /nfs/dbraw/zinc/46/21/52/652462152.db2.gz PFFNDNLNVFWDII-JYJNAYRXSA-N 2 1 296.455 2.164 20 0 CEADMP FC1(F)CCC[C@H]1CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000883425520 652465756 /nfs/dbraw/zinc/46/57/56/652465756.db2.gz WLURLGQLYFAKDV-QWHCGFSZSA-N 2 1 258.356 2.497 20 0 CEADMP FC1(F)CCC[C@@H]1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000883427982 652466417 /nfs/dbraw/zinc/46/64/17/652466417.db2.gz IJFIBCIWYRJEKX-UPJWGTAASA-N 2 1 258.356 2.496 20 0 CEADMP FC1(F)CCC[C@@H]1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000883427982 652466420 /nfs/dbraw/zinc/46/64/20/652466420.db2.gz IJFIBCIWYRJEKX-UPJWGTAASA-N 2 1 258.356 2.496 20 0 CEADMP C([C@@H]1CCC2(CCC2)O1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000883430445 652467107 /nfs/dbraw/zinc/46/71/07/652467107.db2.gz VNARITZBAACUSF-GJZGRUSLSA-N 2 1 264.413 2.164 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C(C)(C)O1 ZINC000883433033 652468251 /nfs/dbraw/zinc/46/82/51/652468251.db2.gz HFXLFTHSIBPNDZ-CJNGLKHVSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H]1CC[C@@H](c3ccccc3)O1)C2 ZINC000883441486 652471216 /nfs/dbraw/zinc/47/12/16/652471216.db2.gz PPPDHAGQWIHGFK-XWTMOSNGSA-N 2 1 286.419 2.448 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H](CF)C2)cc1 ZINC000883447057 652472870 /nfs/dbraw/zinc/47/28/70/652472870.db2.gz RQBYXMRRPGGCPV-HIFRSBDPSA-N 2 1 280.387 2.419 20 0 CEADMP COC(=O)C(C)(C)C[N@@H+](CC(C)C)C[C@H]1CCC[NH2+]C1 ZINC000883461243 652478148 /nfs/dbraw/zinc/47/81/48/652478148.db2.gz QISIUYOMULISTL-AWEZNQCLSA-N 2 1 284.444 2.143 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]CCOCC(F)(F)F)c2ccccc21 ZINC000132116090 652496401 /nfs/dbraw/zinc/49/64/01/652496401.db2.gz BPWIUTOJOBVLPJ-RYUDHWBXSA-N 2 1 274.286 2.300 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)[NH+]1CCCC1 ZINC000885920841 653069029 /nfs/dbraw/zinc/06/90/29/653069029.db2.gz IUNACMIJADYGSD-HZPDHXFCSA-N 2 1 296.455 2.179 20 0 CEADMP CC(=O)[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001961 805639732 /nfs/dbraw/zinc/63/97/32/805639732.db2.gz ARWDMSVPANTGRM-PMRDEQMMSA-N 2 1 276.424 2.303 20 0 CEADMP CC(=O)[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168001961 805639738 /nfs/dbraw/zinc/63/97/38/805639738.db2.gz ARWDMSVPANTGRM-PMRDEQMMSA-N 2 1 276.424 2.303 20 0 CEADMP CC(=O)[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168001961 805639739 /nfs/dbraw/zinc/63/97/39/805639739.db2.gz ARWDMSVPANTGRM-PMRDEQMMSA-N 2 1 276.424 2.303 20 0 CEADMP C[C@@H](C[NH2+]CCCC1CCC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001270920791 805688302 /nfs/dbraw/zinc/68/83/02/805688302.db2.gz ATUSJBDMQVFMHW-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271207460 805896186 /nfs/dbraw/zinc/89/61/86/805896186.db2.gz MXMCASRLSCXQBH-HABDOHHLSA-N 2 1 295.471 2.121 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC)C1 ZINC001088323796 806118135 /nfs/dbraw/zinc/11/81/35/806118135.db2.gz ZCOKMHYTOJKMRT-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001088327474 806119371 /nfs/dbraw/zinc/11/93/71/806119371.db2.gz NWWAGASSZMTLJT-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001088336910 806134362 /nfs/dbraw/zinc/13/43/62/806134362.db2.gz PGLPBSKUZHEGRK-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CCO1 ZINC001168106538 806175357 /nfs/dbraw/zinc/17/53/57/806175357.db2.gz ZKZKWINVZCDXSC-ILXRZTDVSA-N 2 1 254.418 2.395 20 0 CEADMP CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203427487 806354756 /nfs/dbraw/zinc/35/47/56/806354756.db2.gz UJEREQWKQWVGGA-UONOGXRCSA-N 2 1 295.471 2.001 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2Cc3ccc(OC)cc3C2)CC1 ZINC001168231102 806425883 /nfs/dbraw/zinc/42/58/83/806425883.db2.gz NZHJOCMLBRDTJQ-MRXNPFEDSA-N 2 1 274.408 2.236 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC([NH+](C)C)CC1)C2 ZINC001168259751 806450753 /nfs/dbraw/zinc/45/07/53/806450753.db2.gz KJPFTONHDPEYLX-MRXNPFEDSA-N 2 1 274.408 2.188 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3Cc4ccc(OC)cc4C3)C[C@@H]2C1 ZINC001168291347 806634061 /nfs/dbraw/zinc/63/40/61/806634061.db2.gz KDOWDCPZIZQZSN-BBWFWOEESA-N 2 1 286.419 2.046 20 0 CEADMP C[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCC[C@]1(C)O ZINC001168313991 806646310 /nfs/dbraw/zinc/64/63/10/806646310.db2.gz HYUSMICJXDXCIX-LBDPXKHJSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@@](CO)(C(F)(F)F)C2)CC1 ZINC001168313433 806647074 /nfs/dbraw/zinc/64/70/74/806647074.db2.gz CSOGBSZPEWCQTN-WXRRBKDZSA-N 2 1 294.361 2.106 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)CCNC(=O)OC(C)(C)C)CC1 ZINC001168314943 806648349 /nfs/dbraw/zinc/64/83/49/806648349.db2.gz INIXLIKEQPIBGV-UHFFFAOYSA-N 2 1 299.459 2.316 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCCCC23COC3)CC1 ZINC001168324514 806653627 /nfs/dbraw/zinc/65/36/27/806653627.db2.gz QJBGQZIAACMWFM-UHFFFAOYSA-N 2 1 252.402 2.114 20 0 CEADMP CC[C@@]12C[C@@H](CO1)[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168327942 806657259 /nfs/dbraw/zinc/65/72/59/806657259.db2.gz ULGVPPQLZLUZTA-WUCCLRPBSA-N 2 1 252.402 2.113 20 0 CEADMP CC[C@H](C)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168344982 806666807 /nfs/dbraw/zinc/66/68/07/806666807.db2.gz IXROUYHLXYRPCP-HNNXBMFYSA-N 2 1 297.487 2.249 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC[C@@H]1CCCC[NH+]1C)C2 ZINC001224702953 806905197 /nfs/dbraw/zinc/90/51/97/806905197.db2.gz PPALXGYBWGBCKX-LJISPDSOSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](OC[C@@H]1CCCC[N@@H+]1C)C2 ZINC001224702953 806905200 /nfs/dbraw/zinc/90/52/00/806905200.db2.gz PPALXGYBWGBCKX-LJISPDSOSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](OC[C@@H]1CCCC[N@H+]1C)C2 ZINC001224702953 806905205 /nfs/dbraw/zinc/90/52/05/806905205.db2.gz PPALXGYBWGBCKX-LJISPDSOSA-N 2 1 252.402 2.113 20 0 CEADMP Cc1[nH+]cc(CN2CCC([NH+]3CCC(F)CC3)CC2)n1C ZINC001206795236 802406607 /nfs/dbraw/zinc/40/66/07/802406607.db2.gz VLDJATBERPIZLM-UHFFFAOYSA-N 2 1 294.418 2.127 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665425 802505444 /nfs/dbraw/zinc/50/54/44/802505444.db2.gz BJUOZGKZEQNXJF-YSHGAJCASA-N 3 1 299.462 2.191 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665425 802505448 /nfs/dbraw/zinc/50/54/48/802505448.db2.gz BJUOZGKZEQNXJF-YSHGAJCASA-N 3 1 299.462 2.191 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665425 802505450 /nfs/dbraw/zinc/50/54/50/802505450.db2.gz BJUOZGKZEQNXJF-YSHGAJCASA-N 3 1 299.462 2.191 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665425 802505451 /nfs/dbraw/zinc/50/54/51/802505451.db2.gz BJUOZGKZEQNXJF-YSHGAJCASA-N 2 1 299.462 2.191 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665425 802505456 /nfs/dbraw/zinc/50/54/56/802505456.db2.gz BJUOZGKZEQNXJF-YSHGAJCASA-N 2 1 299.462 2.191 20 0 CEADMP CCCCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001209633983 802554980 /nfs/dbraw/zinc/55/49/80/802554980.db2.gz YODZTTVBTMFDAK-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266488649 802627387 /nfs/dbraw/zinc/62/73/87/802627387.db2.gz MVLHBOKAEHPZKI-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266488649 802627390 /nfs/dbraw/zinc/62/73/90/802627390.db2.gz MVLHBOKAEHPZKI-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266488649 802627392 /nfs/dbraw/zinc/62/73/92/802627392.db2.gz MVLHBOKAEHPZKI-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+]1C[C@H]2CN(Cc3cc(C)c(O)cc3C)C[C@H]2C1 ZINC001140204709 802692268 /nfs/dbraw/zinc/69/22/68/802692268.db2.gz ZPQTWFQDNKYTNI-IYBDPMFKSA-N 2 1 274.408 2.393 20 0 CEADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(O)cc3C)C[C@@H]2C1 ZINC001140204709 802692273 /nfs/dbraw/zinc/69/22/73/802692273.db2.gz ZPQTWFQDNKYTNI-IYBDPMFKSA-N 2 1 274.408 2.393 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(O)cc3C)C[C@@H]2C1 ZINC001140204709 802692276 /nfs/dbraw/zinc/69/22/76/802692276.db2.gz ZPQTWFQDNKYTNI-IYBDPMFKSA-N 2 1 274.408 2.393 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)c(O)cc3C)C[C@@H]2C1 ZINC001140204709 802692280 /nfs/dbraw/zinc/69/22/80/802692280.db2.gz ZPQTWFQDNKYTNI-IYBDPMFKSA-N 2 1 274.408 2.393 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)c(O)cc3C)C[C@@H]2C1 ZINC001140204709 802692282 /nfs/dbraw/zinc/69/22/82/802692282.db2.gz ZPQTWFQDNKYTNI-IYBDPMFKSA-N 2 1 274.408 2.393 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000723146816 802860379 /nfs/dbraw/zinc/86/03/79/802860379.db2.gz MXIBSAOIJVEJPD-KXNHARMFSA-N 2 1 264.335 2.492 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000723676030 802923043 /nfs/dbraw/zinc/92/30/43/802923043.db2.gz KGTJCUHWSDXXDI-GFCCVEGCSA-N 2 1 268.788 2.390 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)C[C@H]1CC[NH3+] ZINC000723886240 802964067 /nfs/dbraw/zinc/96/40/67/802964067.db2.gz IKQSJVNKSRAGLD-WISYIIOYSA-N 2 1 280.334 2.013 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCCCO)[C@@H]1CCC[NH3+] ZINC000693513499 803016822 /nfs/dbraw/zinc/01/68/22/803016822.db2.gz YNETXWVVRXMGCF-HUUCEWRRSA-N 2 1 256.434 2.379 20 0 CEADMP FC(F)(F)[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCS1 ZINC000721487204 803029543 /nfs/dbraw/zinc/02/95/43/803029543.db2.gz QGPPGQZYWWIVES-FGNRJIRKSA-N 2 1 294.386 2.497 20 0 CEADMP CC(C)=CC[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001267145642 803162937 /nfs/dbraw/zinc/16/29/37/803162937.db2.gz RXQRAJPWAJNFMT-OAHLLOKOSA-N 2 1 297.487 2.415 20 0 CEADMP CCCCCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001267202707 803229254 /nfs/dbraw/zinc/22/92/54/803229254.db2.gz HHHJRPZEDPROLS-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001023984606 803476091 /nfs/dbraw/zinc/47/60/91/803476091.db2.gz GRNZLOMKYNNICK-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CCO1 ZINC001117752045 814943331 /nfs/dbraw/zinc/94/33/31/814943331.db2.gz VHIBKKMWECZGQE-KBXIAJHMSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000708852706 803568762 /nfs/dbraw/zinc/56/87/62/803568762.db2.gz AUHYZHJLYVLYCS-WDEREUQCSA-N 2 1 254.324 2.034 20 0 CEADMP N=C(Nc1cc[nH+]cc1-c1ccccc1)SCC[NH3+] ZINC001167913621 803610930 /nfs/dbraw/zinc/61/09/30/803610930.db2.gz ZVCPPGZIUDTFFZ-UHFFFAOYSA-N 2 1 272.377 2.209 20 0 CEADMP CCCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267669124 803650249 /nfs/dbraw/zinc/65/02/49/803650249.db2.gz DAZRERVGXMOJKY-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267669124 803650254 /nfs/dbraw/zinc/65/02/54/803650254.db2.gz DAZRERVGXMOJKY-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267669124 803650257 /nfs/dbraw/zinc/65/02/57/803650257.db2.gz DAZRERVGXMOJKY-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1COCC1(C)C ZINC000313115473 803676703 /nfs/dbraw/zinc/67/67/03/803676703.db2.gz IBBQUNOUKDGKDC-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715478722 814958923 /nfs/dbraw/zinc/95/89/23/814958923.db2.gz FCTMPUZYLWEPRJ-MXAVVETBSA-N 2 1 252.402 2.146 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715478722 814958929 /nfs/dbraw/zinc/95/89/29/814958929.db2.gz FCTMPUZYLWEPRJ-MXAVVETBSA-N 2 1 252.402 2.146 20 0 CEADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC001117953186 814968990 /nfs/dbraw/zinc/96/89/90/814968990.db2.gz CDQBSXSTRQAXHZ-JTQLQIEISA-N 2 1 284.787 2.199 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)CC[N@@H+]1C ZINC000715542981 814974561 /nfs/dbraw/zinc/97/45/61/814974561.db2.gz MXCMULGFAQTDQG-YHNBSYBMSA-N 3 1 267.461 2.322 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)CC[N@H+]1C ZINC000715542981 814974563 /nfs/dbraw/zinc/97/45/63/814974563.db2.gz MXCMULGFAQTDQG-YHNBSYBMSA-N 3 1 267.461 2.322 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027103876 803957013 /nfs/dbraw/zinc/95/70/13/803957013.db2.gz HNRWVFDKDXDKGF-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1)[NH+](C)C ZINC001027460231 804080243 /nfs/dbraw/zinc/08/02/43/804080243.db2.gz HOAODSQEKQJKBJ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027695430 804199816 /nfs/dbraw/zinc/19/98/16/804199816.db2.gz VCLLNVZZSMAWFT-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])NCc2ccc(C)cc2)C1 ZINC001118410823 815011767 /nfs/dbraw/zinc/01/17/67/815011767.db2.gz GZRBSHTZKYIKMT-MRXNPFEDSA-N 2 1 288.439 2.341 20 0 CEADMP CC(C)=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001027970904 804372118 /nfs/dbraw/zinc/37/21/18/804372118.db2.gz VHXGBCCDPREONL-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001027970904 804372123 /nfs/dbraw/zinc/37/21/23/804372123.db2.gz VHXGBCCDPREONL-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027970904 804372127 /nfs/dbraw/zinc/37/21/27/804372127.db2.gz VHXGBCCDPREONL-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027970904 804372132 /nfs/dbraw/zinc/37/21/32/804372132.db2.gz VHXGBCCDPREONL-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268069286 804375546 /nfs/dbraw/zinc/37/55/46/804375546.db2.gz VPSASEXFFNWXQX-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC001118427097 815013679 /nfs/dbraw/zinc/01/36/79/815013679.db2.gz HBZABYTVGLUUEJ-UPJWGTAASA-N 2 1 258.356 2.494 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001167836822 804429425 /nfs/dbraw/zinc/42/94/25/804429425.db2.gz HQNYNZWKPSSYEW-HZPDHXFCSA-N 2 1 293.459 2.426 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001167836821 804429510 /nfs/dbraw/zinc/42/95/10/804429510.db2.gz HQNYNZWKPSSYEW-HOTGVXAUSA-N 2 1 293.459 2.426 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCn2cncc2C1 ZINC001167836616 804430232 /nfs/dbraw/zinc/43/02/32/804430232.db2.gz FWZPAFFDVXGEPG-AWEZNQCLSA-N 2 1 264.417 2.209 20 0 CEADMP CCCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001268425347 804665613 /nfs/dbraw/zinc/66/56/13/804665613.db2.gz DLSNQQTZUFJQJF-HUUCEWRRSA-N 2 1 283.460 2.145 20 0 CEADMP [NH2+]=C(Nc1ccc(-c2ccno2)cc1)SCC[NH3+] ZINC001167914651 804699538 /nfs/dbraw/zinc/69/95/38/804699538.db2.gz NTUSCYZMCDKOQB-UHFFFAOYSA-N 2 1 262.338 2.380 20 0 CEADMP CCCC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001284153001 804806502 /nfs/dbraw/zinc/80/65/02/804806502.db2.gz JIXXXWORVIUFJC-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP c1ccc2c(c1)CN[C@H](C[N@H+]1CCCC3(CC[NH2+]CC3)C1)C2 ZINC001204727682 804867339 /nfs/dbraw/zinc/86/73/39/804867339.db2.gz JRMFCFUAUKPNAQ-SFHVURJKSA-N 2 1 299.462 2.167 20 0 CEADMP c1ccc2c(c1)C[NH2+][C@H](CN1CCCC3(CC[NH2+]CC3)C1)C2 ZINC001204727682 804867348 /nfs/dbraw/zinc/86/73/48/804867348.db2.gz JRMFCFUAUKPNAQ-SFHVURJKSA-N 2 1 299.462 2.167 20 0 CEADMP C(C1CC1)[NH+]1CCC(N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC001168379411 807024287 /nfs/dbraw/zinc/02/42/87/807024287.db2.gz JUKCUAWDGLOSRD-QGZVFWFLSA-N 2 1 277.456 2.031 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CCC1CC1 ZINC001268962470 805012965 /nfs/dbraw/zinc/01/29/65/805012965.db2.gz RFOMOEWLGZVAHS-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1cc(N([C@H]2C[C@H]3C[C@H]3C2)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001167947571 805100749 /nfs/dbraw/zinc/10/07/49/805100749.db2.gz BPYUMCHRXPWOCA-FOLVSLTJSA-N 2 1 286.423 2.450 20 0 CEADMP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001269331378 805132387 /nfs/dbraw/zinc/13/23/87/805132387.db2.gz JURMXEYZFIQGJO-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001269468289 805173682 /nfs/dbraw/zinc/17/36/82/805173682.db2.gz HEWFHAHVGQOIJW-HNNXBMFYSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001269620076 805216624 /nfs/dbraw/zinc/21/66/24/805216624.db2.gz YFKJGXQQLXGZSN-ZMSDIMECSA-N 2 1 295.471 2.001 20 0 CEADMP CC/C=C/CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001270486255 805448579 /nfs/dbraw/zinc/44/85/79/805448579.db2.gz JTXQACUCMHUMQD-DKLOGILVSA-N 2 1 295.471 2.169 20 0 CEADMP F[C@@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967533 805489762 /nfs/dbraw/zinc/48/97/62/805489762.db2.gz GVVJGTQSGANNDS-BMRXWSCTSA-N 2 1 282.403 2.108 20 0 CEADMP F[C@@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967533 805489768 /nfs/dbraw/zinc/48/97/68/805489768.db2.gz GVVJGTQSGANNDS-BMRXWSCTSA-N 2 1 282.403 2.108 20 0 CEADMP [NH3+]Cc1ncccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973503 805503776 /nfs/dbraw/zinc/50/37/76/805503776.db2.gz MBGHZTMGKBTPHG-GOOCMWNKSA-N 2 1 286.423 2.358 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981940 805515791 /nfs/dbraw/zinc/51/57/91/805515791.db2.gz QFZBZZWTEKWDPW-POGJWJPPSA-N 2 1 291.483 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981940 805515798 /nfs/dbraw/zinc/51/57/98/805515798.db2.gz QFZBZZWTEKWDPW-POGJWJPPSA-N 2 1 291.483 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981940 805515805 /nfs/dbraw/zinc/51/58/05/805515805.db2.gz QFZBZZWTEKWDPW-POGJWJPPSA-N 2 1 291.483 2.322 20 0 CEADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981940 805515809 /nfs/dbraw/zinc/51/58/09/805515809.db2.gz QFZBZZWTEKWDPW-POGJWJPPSA-N 3 1 291.483 2.322 20 0 CEADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981940 805515814 /nfs/dbraw/zinc/51/58/14/805515814.db2.gz QFZBZZWTEKWDPW-POGJWJPPSA-N 3 1 291.483 2.322 20 0 CEADMP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC3(C1)CCOC3)C2 ZINC001167984363 805528509 /nfs/dbraw/zinc/52/85/09/805528509.db2.gz NOOGOUKSESBERK-XYPWUTKMSA-N 2 1 276.424 2.114 20 0 CEADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC3(C1)CCOC3)C2 ZINC001167984363 805528515 /nfs/dbraw/zinc/52/85/15/805528515.db2.gz NOOGOUKSESBERK-XYPWUTKMSA-N 2 1 276.424 2.114 20 0 CEADMP C[C@@H]1CC[C@H](O)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985675 805543152 /nfs/dbraw/zinc/54/31/52/805543152.db2.gz YZRQGLHOLIELEX-HYMJZGCSSA-N 2 1 278.440 2.237 20 0 CEADMP C[C@@H]1CC[C@H](O)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167985675 805543154 /nfs/dbraw/zinc/54/31/54/805543154.db2.gz YZRQGLHOLIELEX-HYMJZGCSSA-N 2 1 278.440 2.237 20 0 CEADMP C[C@@H]1CC[C@H](O)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167985675 805543157 /nfs/dbraw/zinc/54/31/57/805543157.db2.gz YZRQGLHOLIELEX-HYMJZGCSSA-N 2 1 278.440 2.237 20 0 CEADMP Cc1cccc(F)c1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001232484958 807266357 /nfs/dbraw/zinc/26/63/57/807266357.db2.gz ODPSKBBPSXAWRI-UHFFFAOYSA-N 2 1 293.430 2.203 20 0 CEADMP C[N@H+](Cc1cccc(F)c1F)CC1CC[NH2+]CC1 ZINC000094010689 807267982 /nfs/dbraw/zinc/26/79/82/807267982.db2.gz QYPVUWPEMLCLCA-UHFFFAOYSA-N 2 1 254.324 2.396 20 0 CEADMP C[C@@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)[NH+](C)C ZINC000350587502 807396121 /nfs/dbraw/zinc/39/61/21/807396121.db2.gz BLHKPWNQVDJRDK-NSHDSACASA-N 2 1 274.368 2.421 20 0 CEADMP CC[NH+](CC)CCC(=O)N1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001272400986 807456956 /nfs/dbraw/zinc/45/69/56/807456956.db2.gz IWQYVGRQGKDXQE-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001272419522 807470406 /nfs/dbraw/zinc/47/04/06/807470406.db2.gz GIIMEXCJSDMNGR-NVXWUHKLSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC[N@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001272449418 807492849 /nfs/dbraw/zinc/49/28/49/807492849.db2.gz YSXABVRCIZGNTB-KRWDZBQOSA-N 2 1 295.471 2.051 20 0 CEADMP COC[C@H](C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)C(C)C ZINC000721970589 807540459 /nfs/dbraw/zinc/54/04/59/807540459.db2.gz BJHSHWNKRDGYJH-QPSCCSFWSA-N 2 1 256.434 2.210 20 0 CEADMP COc1cccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1OC ZINC001205093547 807569255 /nfs/dbraw/zinc/56/92/55/807569255.db2.gz BMTCJKUYMLCIOE-ZDUSSCGKSA-N 2 1 264.369 2.017 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1OC ZINC001205093547 807569260 /nfs/dbraw/zinc/56/92/60/807569260.db2.gz BMTCJKUYMLCIOE-ZDUSSCGKSA-N 2 1 264.369 2.017 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1OC ZINC001205094806 807582523 /nfs/dbraw/zinc/58/25/23/807582523.db2.gz PYYGARADIPORFL-CQSZACIVSA-N 2 1 278.396 2.407 20 0 CEADMP OC/C=C\C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716635345 815137282 /nfs/dbraw/zinc/13/72/82/815137282.db2.gz FIWIZLJLTKTWGV-ROISDPOOSA-N 2 1 286.419 2.178 20 0 CEADMP CSc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205117887 807707624 /nfs/dbraw/zinc/70/76/24/807707624.db2.gz XWOCVFZVJARGPY-CYBMUJFWSA-N 2 1 265.426 2.425 20 0 CEADMP CSc1cc(C)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205117887 807707628 /nfs/dbraw/zinc/70/76/28/807707628.db2.gz XWOCVFZVJARGPY-CYBMUJFWSA-N 2 1 265.426 2.425 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](CCCCCOCc2ccccc2)C1 ZINC001236167322 808001234 /nfs/dbraw/zinc/00/12/34/808001234.db2.gz BEGZNBOBZPMSFI-MRXNPFEDSA-N 2 1 262.397 2.407 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](CCCCCOCc2ccccc2)C1 ZINC001236167322 808001238 /nfs/dbraw/zinc/00/12/38/808001238.db2.gz BEGZNBOBZPMSFI-MRXNPFEDSA-N 2 1 262.397 2.407 20 0 CEADMP CSC1(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCCCC1 ZINC000388432671 808012742 /nfs/dbraw/zinc/01/27/42/808012742.db2.gz VBCMEJQVQVPKCN-CQSZACIVSA-N 2 1 286.485 2.097 20 0 CEADMP CSC1(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCCCC1 ZINC000388432671 808012751 /nfs/dbraw/zinc/01/27/51/808012751.db2.gz VBCMEJQVQVPKCN-CQSZACIVSA-N 2 1 286.485 2.097 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cc(F)c(F)cc4C3)C[C@@H]2C1 ZINC001171495225 815180759 /nfs/dbraw/zinc/18/07/59/815180759.db2.gz YYOAKTKWNOAIDF-ZNMIVQPWSA-N 2 1 292.373 2.316 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4cc(F)c(F)cc4C3)C[C@@H]2C1 ZINC001171495225 815180763 /nfs/dbraw/zinc/18/07/63/815180763.db2.gz YYOAKTKWNOAIDF-ZNMIVQPWSA-N 2 1 292.373 2.316 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4cc(F)c(F)cc4C3)C[C@@H]2C1 ZINC001171495225 815180765 /nfs/dbraw/zinc/18/07/65/815180765.db2.gz YYOAKTKWNOAIDF-ZNMIVQPWSA-N 2 1 292.373 2.316 20 0 CEADMP Cn1ccc(C[N@@H+]2C[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]3C2)c1 ZINC001119990941 815183944 /nfs/dbraw/zinc/18/39/44/815183944.db2.gz ZUFYVYFPMNXIKG-OWCLPIDISA-N 2 1 261.413 2.187 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC001120017487 815187636 /nfs/dbraw/zinc/18/76/36/815187636.db2.gz BBJHSBWJTNUXKT-CQSZACIVSA-N 2 1 250.361 2.252 20 0 CEADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171545239 815188226 /nfs/dbraw/zinc/18/82/26/815188226.db2.gz BVLOAOGUJRHNNR-GJZGRUSLSA-N 2 1 283.460 2.144 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@@]2(C)Br)C1 ZINC001120025589 815189730 /nfs/dbraw/zinc/18/97/30/815189730.db2.gz FIHZYFLAVZBCJC-JHJVBQTASA-N 2 1 289.261 2.481 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@H]1C[C@]1(C)Br ZINC001120053733 815192706 /nfs/dbraw/zinc/19/27/06/815192706.db2.gz NHNUQJCNVOJSPG-NDBYEHHHSA-N 2 1 289.261 2.432 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@H]1C[C@]1(C)Br ZINC001120053733 815192710 /nfs/dbraw/zinc/19/27/10/815192710.db2.gz NHNUQJCNVOJSPG-NDBYEHHHSA-N 2 1 289.261 2.432 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@H]1C[C@]1(C)Br ZINC001120053733 815192713 /nfs/dbraw/zinc/19/27/13/815192713.db2.gz NHNUQJCNVOJSPG-NDBYEHHHSA-N 2 1 289.261 2.432 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@H]1C[C@]1(C)Br ZINC001120053733 815192717 /nfs/dbraw/zinc/19/27/17/815192717.db2.gz NHNUQJCNVOJSPG-NDBYEHHHSA-N 2 1 289.261 2.432 20 0 CEADMP C[C@@H]1C[C@H](O)C[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171632182 815201302 /nfs/dbraw/zinc/20/13/02/815201302.db2.gz WGCKOHLMLUKYEM-YPMHNXCESA-N 2 1 254.418 2.093 20 0 CEADMP CC(C)N1C[C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1=O ZINC001171622973 815205870 /nfs/dbraw/zinc/20/58/70/815205870.db2.gz FPUWXILBQQFRSG-ZDUSSCGKSA-N 2 1 295.471 2.237 20 0 CEADMP CC(C)N(CC[NH3+])[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171725424 815217968 /nfs/dbraw/zinc/21/79/68/815217968.db2.gz LHWHLFMZSWOBBY-NVXWUHKLSA-N 2 1 275.440 2.319 20 0 CEADMP C[C@@H]1C[C@@H](Nc2nccnc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171732842 815220514 /nfs/dbraw/zinc/22/05/14/815220514.db2.gz GEDOPZCRHVYJQL-UKRRQHHQSA-N 2 1 297.406 2.010 20 0 CEADMP C[C@@H]1C[C@H](N2CC[C@H]([NH+](C)C)C2)C[N@H+]1Cc1ccccc1 ZINC001171743545 815222344 /nfs/dbraw/zinc/22/23/44/815222344.db2.gz BMTQPCFCQREDQM-NJAFHUGGSA-N 2 1 287.451 2.285 20 0 CEADMP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001032501027 808661981 /nfs/dbraw/zinc/66/19/81/808661981.db2.gz QJOAUEQLTKWXHM-HOTGVXAUSA-N 2 1 298.390 2.033 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171774124 815230217 /nfs/dbraw/zinc/23/02/17/815230217.db2.gz VJSRZVMERCVJJE-CQSZACIVSA-N 2 1 262.372 2.367 20 0 CEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1Cc3cccc(F)c3C1)C2 ZINC001171808962 815242330 /nfs/dbraw/zinc/24/23/30/815242330.db2.gz GQGIBFFMWKBIEK-CKEIUWERSA-N 2 1 274.383 2.176 20 0 CEADMP CC(C)OCCCNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001168679489 808943159 /nfs/dbraw/zinc/94/31/59/808943159.db2.gz OPQKWERSKYBVME-UHFFFAOYSA-N 2 1 288.395 2.248 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1 ZINC001033222770 809238729 /nfs/dbraw/zinc/23/87/29/809238729.db2.gz JHCZBZYQYYVWNR-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001033222770 809238735 /nfs/dbraw/zinc/23/87/35/809238735.db2.gz JHCZBZYQYYVWNR-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001033222770 809238740 /nfs/dbraw/zinc/23/87/40/809238740.db2.gz JHCZBZYQYYVWNR-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2cnc(F)cc2Cl)CC1 ZINC001205054183 809267351 /nfs/dbraw/zinc/26/73/51/809267351.db2.gz ZITJKGIBYLRGMR-UHFFFAOYSA-N 2 1 257.740 2.045 20 0 CEADMP COc1ccc(CCC[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206154011 815277551 /nfs/dbraw/zinc/27/75/51/815277551.db2.gz GGIGSOXSOBTUMQ-CVEARBPZSA-N 2 1 280.387 2.389 20 0 CEADMP COc1ccc(CCC[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206154011 815277555 /nfs/dbraw/zinc/27/75/55/815277555.db2.gz GGIGSOXSOBTUMQ-CVEARBPZSA-N 2 1 280.387 2.389 20 0 CEADMP COc1ccc(CCC[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206154013 815277743 /nfs/dbraw/zinc/27/77/43/815277743.db2.gz GGIGSOXSOBTUMQ-HZPDHXFCSA-N 2 1 280.387 2.389 20 0 CEADMP COc1ccc(CCC[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206154013 815277744 /nfs/dbraw/zinc/27/77/44/815277744.db2.gz GGIGSOXSOBTUMQ-HZPDHXFCSA-N 2 1 280.387 2.389 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC1CCOCC1)C2 ZINC001172098354 815283350 /nfs/dbraw/zinc/28/33/50/815283350.db2.gz CGDPDYIAOFNXRU-PHZGNYQRSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH+]1CCC(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172100948 815284328 /nfs/dbraw/zinc/28/43/28/815284328.db2.gz VATSCQQZBRANAV-OSYLJGHBSA-N 3 1 279.472 2.323 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC1CC[NH+](C)CC1)C2 ZINC001172100948 815284333 /nfs/dbraw/zinc/28/43/33/815284333.db2.gz VATSCQQZBRANAV-OSYLJGHBSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N(CC[NH3+])Cc1ccccc1)C2 ZINC001172101029 815285566 /nfs/dbraw/zinc/28/55/66/815285566.db2.gz VXZDGTDUZDEDGB-BCDXTJNWSA-N 2 1 287.451 2.463 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](CCO)C1)C2 ZINC001172125338 815286141 /nfs/dbraw/zinc/28/61/41/815286141.db2.gz PPKXBGSVFKEMPT-CAOSSQGBSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](CCO)C1)C2 ZINC001172125338 815286143 /nfs/dbraw/zinc/28/61/43/815286143.db2.gz PPKXBGSVFKEMPT-CAOSSQGBSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](CCO)C1)C2 ZINC001172125338 815286148 /nfs/dbraw/zinc/28/61/48/815286148.db2.gz PPKXBGSVFKEMPT-CAOSSQGBSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](CCO)C1)C2 ZINC001172125338 815286151 /nfs/dbraw/zinc/28/61/51/815286151.db2.gz PPKXBGSVFKEMPT-CAOSSQGBSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(c3cccnc3)C1)C2 ZINC001172128195 815288744 /nfs/dbraw/zinc/28/87/44/815288744.db2.gz PSSAEKYGMUGETJ-BJWYYQGGSA-N 2 1 271.408 2.496 20 0 CEADMP C[C@H](O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702090688 809505758 /nfs/dbraw/zinc/50/57/58/809505758.db2.gz WCDZIDNDRTXSKM-JQHSSLGASA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H](O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702090688 809505760 /nfs/dbraw/zinc/50/57/60/809505760.db2.gz WCDZIDNDRTXSKM-JQHSSLGASA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H](O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702090688 809505764 /nfs/dbraw/zinc/50/57/64/809505764.db2.gz WCDZIDNDRTXSKM-JQHSSLGASA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H](O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702090688 809505768 /nfs/dbraw/zinc/50/57/68/809505768.db2.gz WCDZIDNDRTXSKM-JQHSSLGASA-N 2 1 288.435 2.211 20 0 CEADMP CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034203910 809548098 /nfs/dbraw/zinc/54/80/98/809548098.db2.gz IPBGGRBRAFWBIS-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034203910 809548105 /nfs/dbraw/zinc/54/81/05/809548105.db2.gz IPBGGRBRAFWBIS-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034203910 809548109 /nfs/dbraw/zinc/54/81/09/809548109.db2.gz IPBGGRBRAFWBIS-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC)C1 ZINC001034238252 809561909 /nfs/dbraw/zinc/56/19/09/809561909.db2.gz BNJGQDZSFXMOPP-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC)C1 ZINC001034238252 809561916 /nfs/dbraw/zinc/56/19/16/809561916.db2.gz BNJGQDZSFXMOPP-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC)C1 ZINC001034238252 809561921 /nfs/dbraw/zinc/56/19/21/809561921.db2.gz BNJGQDZSFXMOPP-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H](C)O1 ZINC001172112862 815300072 /nfs/dbraw/zinc/30/00/72/815300072.db2.gz GEBFLWVVUPYJQO-ZSAUSMIDSA-N 2 1 252.402 2.111 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CC[NH+](CC3CCC3)C1)C2 ZINC001172113016 815302903 /nfs/dbraw/zinc/30/29/03/815302903.db2.gz DNWVJYNVEPDMQA-XLAORIBOSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001172113016 815302910 /nfs/dbraw/zinc/30/29/10/815302910.db2.gz DNWVJYNVEPDMQA-XLAORIBOSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001172113016 815302916 /nfs/dbraw/zinc/30/29/16/815302916.db2.gz DNWVJYNVEPDMQA-XLAORIBOSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(C)(C)C(C)(C)[NH3+])C2 ZINC001172115854 815304513 /nfs/dbraw/zinc/30/45/13/815304513.db2.gz FREUXGQLLYZLLV-XYYAHUGASA-N 2 1 253.434 2.107 20 0 CEADMP Cc1ncsc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000703500993 809652616 /nfs/dbraw/zinc/65/26/16/809652616.db2.gz HBPRTGRQMSYSBX-KGYLQXTDSA-N 2 1 265.426 2.318 20 0 CEADMP Cc1ncc2n1CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172121345 815308025 /nfs/dbraw/zinc/30/80/25/815308025.db2.gz PPSNVQHPHLEOLW-QDMKHBRRSA-N 2 1 274.412 2.022 20 0 CEADMP Cc1[nH+]cc2n1CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172121345 815308031 /nfs/dbraw/zinc/30/80/31/815308031.db2.gz PPSNVQHPHLEOLW-QDMKHBRRSA-N 2 1 274.412 2.022 20 0 CEADMP Cc1[nH+]cc2n1CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172121345 815308038 /nfs/dbraw/zinc/30/80/38/815308038.db2.gz PPSNVQHPHLEOLW-QDMKHBRRSA-N 2 1 274.412 2.022 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](C)CC1CC[NH+](C)CC1)C2 ZINC001172121219 815309201 /nfs/dbraw/zinc/30/92/01/815309201.db2.gz JGRNWUWKMIDUNN-BJWYYQGGSA-N 3 1 279.472 2.275 20 0 CEADMP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121219 815309207 /nfs/dbraw/zinc/30/92/07/815309207.db2.gz JGRNWUWKMIDUNN-BJWYYQGGSA-N 3 1 279.472 2.275 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121219 815309214 /nfs/dbraw/zinc/30/92/14/815309214.db2.gz JGRNWUWKMIDUNN-BJWYYQGGSA-N 3 1 279.472 2.275 20 0 CEADMP C[NH+](CC1CC[NH+](C)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121219 815309221 /nfs/dbraw/zinc/30/92/21/815309221.db2.gz JGRNWUWKMIDUNN-BJWYYQGGSA-N 3 1 279.472 2.275 20 0 CEADMP C[NH+](CC1CC[NH+](C)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121219 815309228 /nfs/dbraw/zinc/30/92/28/815309228.db2.gz JGRNWUWKMIDUNN-BJWYYQGGSA-N 3 1 279.472 2.275 20 0 CEADMP CSC[C@@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703807702 809692572 /nfs/dbraw/zinc/69/25/72/809692572.db2.gz PWRYWOLZJYHYJF-GSPSYOTPSA-N 2 1 254.443 2.344 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](CO)CC1)C2 ZINC001172119778 815310344 /nfs/dbraw/zinc/31/03/44/815310344.db2.gz HWDYPDYHBVUNRT-WCVJEAGWSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](CO)CC1)C2 ZINC001172119778 815310351 /nfs/dbraw/zinc/31/03/51/815310351.db2.gz HWDYPDYHBVUNRT-WCVJEAGWSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](CO)CC1)C2 ZINC001172119778 815310357 /nfs/dbraw/zinc/31/03/57/815310357.db2.gz HWDYPDYHBVUNRT-WCVJEAGWSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](CO)CC1)C2 ZINC001172119778 815310365 /nfs/dbraw/zinc/31/03/65/815310365.db2.gz HWDYPDYHBVUNRT-WCVJEAGWSA-N 2 1 266.429 2.096 20 0 CEADMP CC(C)[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172120189 815311109 /nfs/dbraw/zinc/31/11/09/815311109.db2.gz AEQSJHTZHPJIGV-JJXSEGSLSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001172120189 815311117 /nfs/dbraw/zinc/31/11/17/815311117.db2.gz AEQSJHTZHPJIGV-JJXSEGSLSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001172120189 815311123 /nfs/dbraw/zinc/31/11/23/815311123.db2.gz AEQSJHTZHPJIGV-JJXSEGSLSA-N 2 1 266.429 2.359 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@@H]([NH+]3CCCC3)C1)C2 ZINC001172121385 815312523 /nfs/dbraw/zinc/31/25/23/815312523.db2.gz FHVQJGYKFXBJTB-YYIAUSFCSA-N 2 1 277.456 2.172 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000708334798 809926064 /nfs/dbraw/zinc/92/60/64/809926064.db2.gz ALWVVVJGHDAXIB-KKUMJFAQSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000710692634 809990285 /nfs/dbraw/zinc/99/02/85/809990285.db2.gz HHHYAFNJDXTOHA-GASCZTMLSA-N 2 1 283.460 2.227 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CSc2ccccc2C1 ZINC001172205426 815333656 /nfs/dbraw/zinc/33/36/56/815333656.db2.gz WKCHXRYCGSVGIY-YPMHNXCESA-N 2 1 250.411 2.230 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000923371568 810089174 /nfs/dbraw/zinc/08/91/74/810089174.db2.gz YTERCDBTZCEBQO-JMSVASOKSA-N 2 1 250.361 2.344 20 0 CEADMP C(C[NH2+]C1CC1)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000923371910 810089557 /nfs/dbraw/zinc/08/95/57/810089557.db2.gz BARVLBUEWYKEBA-YOEHRIQHSA-N 2 1 277.456 2.077 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000711849995 810099947 /nfs/dbraw/zinc/09/99/47/810099947.db2.gz YYHFVEBZQQVONM-FVQBIDKESA-N 2 1 266.429 2.123 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(C)c1 ZINC000923505965 810103985 /nfs/dbraw/zinc/10/39/85/810103985.db2.gz DPDIMCRSBMACGE-LSDHHAIUSA-N 2 1 289.423 2.159 20 0 CEADMP [NH3+]CCC[N@@H+](C1CCCCC1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172233269 815345890 /nfs/dbraw/zinc/34/58/90/815345890.db2.gz UIEDZWKNCRJUMI-MQVJKMGUSA-N 2 1 264.413 2.456 20 0 CEADMP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014964802 810248273 /nfs/dbraw/zinc/24/82/73/810248273.db2.gz RVOYMMZZOFHRJQ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014964802 810248278 /nfs/dbraw/zinc/24/82/78/810248278.db2.gz RVOYMMZZOFHRJQ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001014964802 810248282 /nfs/dbraw/zinc/24/82/82/810248282.db2.gz RVOYMMZZOFHRJQ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001014964802 810248288 /nfs/dbraw/zinc/24/82/88/810248288.db2.gz RVOYMMZZOFHRJQ-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP COCCC[NH+]1CCC([NH+]2CCCCCC2)CC1 ZINC001172249279 815358206 /nfs/dbraw/zinc/35/82/06/815358206.db2.gz ILUMLRPSMVAHFL-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP CCC[N@@H+](C1CCOCC1)C1CCN(CCCOC)CC1 ZINC001172254245 815360791 /nfs/dbraw/zinc/36/07/91/815360791.db2.gz JARZYCOFFVUPHU-UHFFFAOYSA-N 2 1 298.471 2.378 20 0 CEADMP CCC[N@H+](C1CCOCC1)C1CC[NH+](CCCOC)CC1 ZINC001172254245 815360795 /nfs/dbraw/zinc/36/07/95/815360795.db2.gz JARZYCOFFVUPHU-UHFFFAOYSA-N 2 1 298.471 2.378 20 0 CEADMP CCC[N@@H+](C1CCOCC1)C1CC[NH+](CCCOC)CC1 ZINC001172254245 815360800 /nfs/dbraw/zinc/36/08/00/815360800.db2.gz JARZYCOFFVUPHU-UHFFFAOYSA-N 2 1 298.471 2.378 20 0 CEADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001015702816 810335802 /nfs/dbraw/zinc/33/58/02/810335802.db2.gz UKCZTBPRXCUCOI-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001015702816 810335806 /nfs/dbraw/zinc/33/58/06/810335806.db2.gz UKCZTBPRXCUCOI-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001015702816 810335815 /nfs/dbraw/zinc/33/58/15/810335815.db2.gz UKCZTBPRXCUCOI-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001015702817 810336636 /nfs/dbraw/zinc/33/66/36/810336636.db2.gz UKCZTBPRXCUCOI-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001015702817 810336639 /nfs/dbraw/zinc/33/66/39/810336639.db2.gz UKCZTBPRXCUCOI-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001015702817 810336641 /nfs/dbraw/zinc/33/66/41/810336641.db2.gz UKCZTBPRXCUCOI-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP Cn1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c2ccccc21 ZINC001206163336 815362365 /nfs/dbraw/zinc/36/23/65/815362365.db2.gz BPYGVYJRFMXILM-HUUCEWRRSA-N 2 1 275.371 2.440 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c2ccccc21 ZINC001206163336 815362372 /nfs/dbraw/zinc/36/23/72/815362372.db2.gz BPYGVYJRFMXILM-HUUCEWRRSA-N 2 1 275.371 2.440 20 0 CEADMP CC[C@H](C)OCC[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC001172315056 815368426 /nfs/dbraw/zinc/36/84/26/815368426.db2.gz AYPPSMZAUYKZGY-STQMWFEESA-N 2 1 253.390 2.375 20 0 CEADMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2COC(C)(C)C2)[C@H](C)C1 ZINC001172280201 815374698 /nfs/dbraw/zinc/37/46/98/815374698.db2.gz OHSNJDFSNRUOPR-MCIONIFRSA-N 2 1 254.418 2.262 20 0 CEADMP COC1CCC(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC001120058051 810585010 /nfs/dbraw/zinc/58/50/10/810585010.db2.gz RCTRUDDVZAKAOK-GPANFISMSA-N 2 1 266.429 2.219 20 0 CEADMP COC1CCC(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC001120058051 810585017 /nfs/dbraw/zinc/58/50/17/810585017.db2.gz RCTRUDDVZAKAOK-GPANFISMSA-N 2 1 266.429 2.219 20 0 CEADMP COC1CCC(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001120058051 810585023 /nfs/dbraw/zinc/58/50/23/810585023.db2.gz RCTRUDDVZAKAOK-GPANFISMSA-N 2 1 266.429 2.219 20 0 CEADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001172334028 815393432 /nfs/dbraw/zinc/39/34/32/815393432.db2.gz BRVRZFUNZCOQFH-WCXIOVBPSA-N 2 1 298.471 2.233 20 0 CEADMP CC[C@@H](C)OCC[C@@H](C)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001172334028 815393438 /nfs/dbraw/zinc/39/34/38/815393438.db2.gz BRVRZFUNZCOQFH-WCXIOVBPSA-N 2 1 298.471 2.233 20 0 CEADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001172334028 815393444 /nfs/dbraw/zinc/39/34/44/815393444.db2.gz BRVRZFUNZCOQFH-WCXIOVBPSA-N 2 1 298.471 2.233 20 0 CEADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001172334028 815393449 /nfs/dbraw/zinc/39/34/49/815393449.db2.gz BRVRZFUNZCOQFH-WCXIOVBPSA-N 2 1 298.471 2.233 20 0 CEADMP COc1ccc(C)[nH+]c1NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001155026862 810929571 /nfs/dbraw/zinc/92/95/71/810929571.db2.gz VXYNYENNEIARAQ-YPMHNXCESA-N 2 1 263.385 2.446 20 0 CEADMP CC(C)[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085856333 810945860 /nfs/dbraw/zinc/94/58/60/810945860.db2.gz WRWLAVDVNXYTKV-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC ZINC001085918576 810967998 /nfs/dbraw/zinc/96/79/98/810967998.db2.gz HYDTZVMGDFKVIH-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC ZINC001085918576 810968007 /nfs/dbraw/zinc/96/80/07/810968007.db2.gz HYDTZVMGDFKVIH-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086133864 811039593 /nfs/dbraw/zinc/03/95/93/811039593.db2.gz IICZENREZIZMHR-OWCLPIDISA-N 2 1 295.471 2.001 20 0 CEADMP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2)[NH+](C)C ZINC001040398847 811110322 /nfs/dbraw/zinc/11/03/22/811110322.db2.gz JXYUNIPLIATZJW-DOTOQJQBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C(C)C)C2)C1 ZINC001086454468 811148287 /nfs/dbraw/zinc/14/82/87/811148287.db2.gz OICBHMAJPHDSEJ-JYJNAYRXSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000382038045 811179551 /nfs/dbraw/zinc/17/95/51/811179551.db2.gz HDEWWWMOXQILBE-HKLFFAROSA-N 2 1 299.462 2.093 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cncc(F)c2)CCC[C@H]1C[NH3+] ZINC001205991401 811209870 /nfs/dbraw/zinc/20/98/70/811209870.db2.gz AOGJXUGPRJOKNK-YPMHNXCESA-N 2 1 251.349 2.028 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ccccc3NC1=O)C2 ZINC001169099534 811369925 /nfs/dbraw/zinc/36/99/25/811369925.db2.gz APJXBIMKQYQRGG-PNBKFKSVSA-N 2 1 299.418 2.155 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ccccc3NC1=O)C2 ZINC001169099534 811369933 /nfs/dbraw/zinc/36/99/33/811369933.db2.gz APJXBIMKQYQRGG-PNBKFKSVSA-N 2 1 299.418 2.155 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1c3ccccc3CC[C@@H]1O)C2 ZINC001169100691 811373368 /nfs/dbraw/zinc/37/33/68/811373368.db2.gz LISWLRBJMBOQGT-CRCOGDFISA-N 2 1 286.419 2.250 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1c3ccccc3CC[C@@H]1O)C2 ZINC001169100691 811373380 /nfs/dbraw/zinc/37/33/80/811373380.db2.gz LISWLRBJMBOQGT-CRCOGDFISA-N 2 1 286.419 2.250 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)C2 ZINC001169101918 811373457 /nfs/dbraw/zinc/37/34/57/811373457.db2.gz WILVJNBFTCGLGN-TVFCKZIOSA-N 2 1 288.435 2.052 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)C2 ZINC001169101920 811373876 /nfs/dbraw/zinc/37/38/76/811373876.db2.gz WILVJNBFTCGLGN-XLAORIBOSA-N 2 1 288.435 2.052 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(c3ccccn3)CC1)C2 ZINC001169101199 811374687 /nfs/dbraw/zinc/37/46/87/811374687.db2.gz PCXYJVCENYIXBJ-QDMKHBRRSA-N 2 1 271.408 2.328 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@@H](CCC[NH3+])C1)C2 ZINC001169122808 811389783 /nfs/dbraw/zinc/38/97/83/811389783.db2.gz DVTPDLFMOIYBAT-MWDXBVQZSA-N 3 1 279.472 2.453 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@H](CCC[NH3+])C1)C2 ZINC001169122808 811389791 /nfs/dbraw/zinc/38/97/91/811389791.db2.gz DVTPDLFMOIYBAT-MWDXBVQZSA-N 3 1 279.472 2.453 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@@H](CCC[NH3+])C1)C2 ZINC001169122808 811389802 /nfs/dbraw/zinc/38/98/02/811389802.db2.gz DVTPDLFMOIYBAT-MWDXBVQZSA-N 3 1 279.472 2.453 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@H](CCC[NH3+])C1)C2 ZINC001169122808 811389808 /nfs/dbraw/zinc/38/98/08/811389808.db2.gz DVTPDLFMOIYBAT-MWDXBVQZSA-N 2 1 279.472 2.453 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@@H](CCC[NH3+])C1)C2 ZINC001169122808 811389817 /nfs/dbraw/zinc/38/98/17/811389817.db2.gz DVTPDLFMOIYBAT-MWDXBVQZSA-N 2 1 279.472 2.453 20 0 CEADMP Cc1nc([C@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)no1 ZINC001169125480 811393737 /nfs/dbraw/zinc/39/37/37/811393737.db2.gz IVCVCUVEHCVFGW-XQLPTFJDSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nc([C@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)no1 ZINC001169125480 811393747 /nfs/dbraw/zinc/39/37/47/811393747.db2.gz IVCVCUVEHCVFGW-XQLPTFJDSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nc([C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)no1 ZINC001169125480 811393755 /nfs/dbraw/zinc/39/37/55/811393755.db2.gz IVCVCUVEHCVFGW-XQLPTFJDSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nc([C@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C2)no1 ZINC001169125480 811393766 /nfs/dbraw/zinc/39/37/66/811393766.db2.gz IVCVCUVEHCVFGW-XQLPTFJDSA-N 2 1 290.411 2.183 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cnc3cccc(C[NH3+])c31)C2 ZINC001169110165 811402679 /nfs/dbraw/zinc/40/26/79/811402679.db2.gz LDQYMGAFCCQHHX-BTTYYORXSA-N 2 1 270.380 2.293 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc3ccnn31)C2 ZINC001169108311 811404210 /nfs/dbraw/zinc/40/42/10/811404210.db2.gz QWUJMNMVBDQSNO-XMQYKBBCSA-N 2 1 270.380 2.049 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc3ccnn31)C2 ZINC001169108311 811404213 /nfs/dbraw/zinc/40/42/13/811404213.db2.gz QWUJMNMVBDQSNO-XMQYKBBCSA-N 2 1 270.380 2.049 20 0 CEADMP CCO[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169140978 811405994 /nfs/dbraw/zinc/40/59/94/811405994.db2.gz NJOPIFZHUBIAEC-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP CCO[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169140978 811406002 /nfs/dbraw/zinc/40/60/02/811406002.db2.gz NJOPIFZHUBIAEC-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP CCO[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169140978 811406008 /nfs/dbraw/zinc/40/60/08/811406008.db2.gz NJOPIFZHUBIAEC-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCOCC(C)C ZINC001172457987 815445662 /nfs/dbraw/zinc/44/56/62/815445662.db2.gz URVYAHNKXPEUKG-CYBMUJFWSA-N 2 1 253.390 2.232 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(c3ncccn3)CC1)C2 ZINC001169146529 811410893 /nfs/dbraw/zinc/41/08/93/811410893.db2.gz QGCFFUWISIEYIG-ZSHCYNCHSA-N 2 1 286.423 2.281 20 0 CEADMP Cc1nnc(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC001169155582 811417660 /nfs/dbraw/zinc/41/76/60/811417660.db2.gz RSSNQVDQSISPLU-FICVDOATSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nnc(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC001169155582 811417667 /nfs/dbraw/zinc/41/76/67/811417667.db2.gz RSSNQVDQSISPLU-FICVDOATSA-N 2 1 290.411 2.183 20 0 CEADMP CCCCOC(=O)[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169160332 811421046 /nfs/dbraw/zinc/42/10/46/811421046.db2.gz COSDRHKMDCHZES-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP CCCCOC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169160332 811421050 /nfs/dbraw/zinc/42/10/50/811421050.db2.gz COSDRHKMDCHZES-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP CCCCOC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169160332 811421054 /nfs/dbraw/zinc/42/10/54/811421054.db2.gz COSDRHKMDCHZES-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP CCCC[NH+]1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001044004633 811427565 /nfs/dbraw/zinc/42/75/65/811427565.db2.gz NSKAFCWWVOFUQP-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001169224283 811437490 /nfs/dbraw/zinc/43/74/90/811437490.db2.gz HKSOJPQKARBBKI-OKILXGFUSA-N 2 1 297.443 2.116 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CCN(C(=O)CC(C)C)CC2)CC1 ZINC001169230894 811444434 /nfs/dbraw/zinc/44/44/34/811444434.db2.gz NQNAJRTXKLIAFG-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCOC(=O)[C@H]1CC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC001169264171 811453914 /nfs/dbraw/zinc/45/39/14/811453914.db2.gz ISSNGVXKUWYGAR-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP CCCCOC(=O)[C@H]1CC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC001169264171 811453921 /nfs/dbraw/zinc/45/39/21/811453921.db2.gz ISSNGVXKUWYGAR-AWEZNQCLSA-N 2 1 282.428 2.136 20 0 CEADMP CC[NH+]1CCC([NH2+]C(C)(C)Cc2ccncc2)CC1 ZINC001169240912 811458674 /nfs/dbraw/zinc/45/86/74/811458674.db2.gz NDNIAKOYHCFBRY-UHFFFAOYSA-N 2 1 261.413 2.477 20 0 CEADMP CC[NH+]1CCC(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)CC1 ZINC001169244471 811461221 /nfs/dbraw/zinc/46/12/21/811461221.db2.gz QIIDJILQLRKAOF-ZBFHGGJFSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(C)(C)OC)CC1 ZINC001169258780 811468959 /nfs/dbraw/zinc/46/89/59/811468959.db2.gz RRIQPYGJWVIVBZ-AWEZNQCLSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CCC([N@H+]2CCC[C@H]2C(C)(C)OC)CC1 ZINC001169258780 811468965 /nfs/dbraw/zinc/46/89/65/811468965.db2.gz RRIQPYGJWVIVBZ-AWEZNQCLSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001044630299 811516045 /nfs/dbraw/zinc/51/60/45/811516045.db2.gz UZLXDQMCQZSYNE-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(=O)N1CC[C@@H]([N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169520547 811550860 /nfs/dbraw/zinc/55/08/60/811550860.db2.gz KMGQIEWAIUSUHT-BZUAXINKSA-N 2 1 295.471 2.225 20 0 CEADMP CCC(CC)[N@@H+]([C@@H]1CCN(C(C)=O)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001169523205 811552636 /nfs/dbraw/zinc/55/26/36/811552636.db2.gz ZWKBPWUAOQIVNL-DJIMGWMZSA-N 2 1 295.471 2.368 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cc(O)c(F)c(F)c2)CCC[C@H]1C[NH3+] ZINC001206013231 811587282 /nfs/dbraw/zinc/58/72/82/811587282.db2.gz QQKZLLRVDXMXRS-PWSUYJOCSA-N 2 1 284.350 2.477 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(O)c(F)c(F)c2)CCC[C@H]1C[NH3+] ZINC001206013231 811587286 /nfs/dbraw/zinc/58/72/86/811587286.db2.gz QQKZLLRVDXMXRS-PWSUYJOCSA-N 2 1 284.350 2.477 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CCO1 ZINC001172543738 815465339 /nfs/dbraw/zinc/46/53/39/815465339.db2.gz RXMRJSFSVQBJQJ-ZACQAIPSSA-N 2 1 274.408 2.372 20 0 CEADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CCO1 ZINC001172543738 815465343 /nfs/dbraw/zinc/46/53/43/815465343.db2.gz RXMRJSFSVQBJQJ-ZACQAIPSSA-N 2 1 274.408 2.372 20 0 CEADMP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169797392 811665006 /nfs/dbraw/zinc/66/50/06/811665006.db2.gz FMARWKVUBUIJHB-CVEARBPZSA-N 2 1 295.471 2.311 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1F ZINC001206024399 811701419 /nfs/dbraw/zinc/70/14/19/811701419.db2.gz JJUBEEBSTGYPEV-WCQYABFASA-N 2 1 265.376 2.336 20 0 CEADMP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674026 811926114 /nfs/dbraw/zinc/92/61/14/811926114.db2.gz XZXIFWUXYBRAML-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP N[C@H]1CC[N@@H+](Cc2cccc3ccncc32)CC[C@@H]1F ZINC001206172528 815489235 /nfs/dbraw/zinc/48/92/35/815489235.db2.gz AKWHPRSJFADUQD-HOTGVXAUSA-N 2 1 273.355 2.496 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc3ccncc32)CC[C@@H]1F ZINC001206172528 815489239 /nfs/dbraw/zinc/48/92/39/815489239.db2.gz AKWHPRSJFADUQD-HOTGVXAUSA-N 2 1 273.355 2.496 20 0 CEADMP Cc1nc2cc(C)ccn2c1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206173112 815489732 /nfs/dbraw/zinc/48/97/32/815489732.db2.gz FBGQFFQIKBNQPJ-KGLIPLIRSA-N 2 1 290.386 2.212 20 0 CEADMP Cc1nc2cc(C)ccn2c1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206173112 815489736 /nfs/dbraw/zinc/48/97/36/815489736.db2.gz FBGQFFQIKBNQPJ-KGLIPLIRSA-N 2 1 290.386 2.212 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(=O)OC)CC2)CC1 ZINC001172767644 815513735 /nfs/dbraw/zinc/51/37/35/815513735.db2.gz IYNKDTYHBNJJDC-ZIAGYGMSSA-N 2 1 282.428 2.182 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001172768104 815513755 /nfs/dbraw/zinc/51/37/55/815513755.db2.gz OIJBZUJKSGEBBR-RBSFLKMASA-N 2 1 282.428 2.182 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001113345931 812224136 /nfs/dbraw/zinc/22/41/36/812224136.db2.gz KIPXAUCZFFIPCC-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP CCCCCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001113345931 812224144 /nfs/dbraw/zinc/22/41/44/812224144.db2.gz KIPXAUCZFFIPCC-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113355703 812225345 /nfs/dbraw/zinc/22/53/45/812225345.db2.gz JIIMYKJLWKPBOM-UHFFFAOYSA-N 2 1 297.487 2.299 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000396538857 812254849 /nfs/dbraw/zinc/25/48/49/812254849.db2.gz KEUZKTIEODCACB-ZBFHGGJFSA-N 2 1 267.461 2.371 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC001172770879 815515373 /nfs/dbraw/zinc/51/53/73/815515373.db2.gz HGBBOLQTVMHSLN-JLVJUDLZSA-N 2 1 282.428 2.310 20 0 CEADMP C[C@@H]1CC[C@H](N2CC[NH+](CC3CC[NH+](C)CC3)CC2)C1 ZINC001170156358 812284324 /nfs/dbraw/zinc/28/43/24/812284324.db2.gz DPGWXTPYGIFAGF-WBVHZDCISA-N 2 1 279.472 2.134 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCO[C@H](CC)C3)C[C@@H]2C1 ZINC001170239369 812354073 /nfs/dbraw/zinc/35/40/73/812354073.db2.gz MNEKPNMYPTUJOD-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCO[C@H](CC)C3)C[C@@H]2C1 ZINC001170239369 812354080 /nfs/dbraw/zinc/35/40/80/812354080.db2.gz MNEKPNMYPTUJOD-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCO[C@H](CC)C3)C[C@@H]2C1 ZINC001170239369 812354088 /nfs/dbraw/zinc/35/40/88/812354088.db2.gz MNEKPNMYPTUJOD-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3cccnc3c2)CC[C@@H]1F ZINC001206174992 815522792 /nfs/dbraw/zinc/52/27/92/815522792.db2.gz RBGQIKMPKOQQNR-GJZGRUSLSA-N 2 1 273.355 2.496 20 0 CEADMP CCC1(Nc2nc(Cl)ccc2C[NH+]2CCCC2)C[NH2+]C1 ZINC001157784369 812457561 /nfs/dbraw/zinc/45/75/61/812457561.db2.gz ABPZIXRPNCYKHU-UHFFFAOYSA-N 2 1 294.830 2.495 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052933822 812475553 /nfs/dbraw/zinc/47/55/53/812475553.db2.gz GREATRRKAWXDSQ-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1nc(NCC(C)(C)C[NH+](C)C)cc(N2CCCC2)[nH+]1 ZINC001157940300 812556457 /nfs/dbraw/zinc/55/64/57/812556457.db2.gz JZCOPQASWJCWGE-UHFFFAOYSA-N 2 1 291.443 2.385 20 0 CEADMP COC(=O)[C@@H]1CC[C@H]([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170525056 812622407 /nfs/dbraw/zinc/62/24/07/812622407.db2.gz DRAOXVMTCNWFGF-TUVASFSCSA-N 2 1 282.428 2.308 20 0 CEADMP CC(C)CC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132247970 812808017 /nfs/dbraw/zinc/80/80/17/812808017.db2.gz AMFJRNBKISFPMP-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132376707 812836736 /nfs/dbraw/zinc/83/67/36/812836736.db2.gz PQTKTJGCCJGVCY-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132434434 812850186 /nfs/dbraw/zinc/85/01/86/812850186.db2.gz WVOSYBCTQVDHLL-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001052245282 812954913 /nfs/dbraw/zinc/95/49/13/812954913.db2.gz NTSRCLAVRWFSBE-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001052245282 812954917 /nfs/dbraw/zinc/95/49/17/812954917.db2.gz NTSRCLAVRWFSBE-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001052245282 812954919 /nfs/dbraw/zinc/95/49/19/812954919.db2.gz NTSRCLAVRWFSBE-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP COC1CC[NH+](C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC001255294667 813052573 /nfs/dbraw/zinc/05/25/73/813052573.db2.gz KYKRVJJPONNWED-AWEZNQCLSA-N 2 1 284.469 2.067 20 0 CEADMP CC[NH+](CC)C1CCC([NH2+][C@H](C(=O)OC)C2CC2)CC1 ZINC001173101986 815580308 /nfs/dbraw/zinc/58/03/08/815580308.db2.gz RMDOTFYZIDWWHY-NRXISQOPSA-N 2 1 282.428 2.181 20 0 CEADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170757631 813291720 /nfs/dbraw/zinc/29/17/20/813291720.db2.gz LOFQTRIFTOPZBR-QDMKHBRRSA-N 2 1 296.455 2.238 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134766977 813322435 /nfs/dbraw/zinc/32/24/35/813322435.db2.gz ONHYBONFFWODLC-MRXNPFEDSA-N 2 1 297.487 2.391 20 0 CEADMP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773374 813322752 /nfs/dbraw/zinc/32/27/52/813322752.db2.gz ODHPRWCTNLOTFU-KGLIPLIRSA-N 2 1 285.476 2.390 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135305387 813403059 /nfs/dbraw/zinc/40/30/59/813403059.db2.gz SZULJPKBKKTFMZ-UHFFFAOYSA-N 2 1 294.443 2.258 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC1CCC1 ZINC001135437110 813435688 /nfs/dbraw/zinc/43/56/88/813435688.db2.gz NPUBTYCXZSSYDX-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820993 813489952 /nfs/dbraw/zinc/48/99/52/813489952.db2.gz HTHMJEJXTIDOKW-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820993 813489959 /nfs/dbraw/zinc/48/99/59/813489959.db2.gz HTHMJEJXTIDOKW-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820993 813489964 /nfs/dbraw/zinc/48/99/64/813489964.db2.gz HTHMJEJXTIDOKW-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135980934 813577878 /nfs/dbraw/zinc/57/78/78/813577878.db2.gz VBTZUWMZHKEZJQ-CABCVRRESA-N 2 1 285.476 2.391 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001135996552 813583549 /nfs/dbraw/zinc/58/35/49/813583549.db2.gz SYTBWCHULZUDAD-HUUCEWRRSA-N 2 1 297.487 2.391 20 0 CEADMP CC(C)(C)SCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000397378902 813614475 /nfs/dbraw/zinc/61/44/75/813614475.db2.gz JLDSUKXOOSBMQF-OBPIAQAESA-N 2 1 254.443 2.104 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170947428 813671634 /nfs/dbraw/zinc/67/16/34/813671634.db2.gz WJKUFHNJHHVUIW-AWEZNQCLSA-N 2 1 262.372 2.367 20 0 CEADMP CCCC[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC001246097360 813685501 /nfs/dbraw/zinc/68/55/01/813685501.db2.gz OKALCRNMKIXMQT-RRFJBIMHSA-N 3 1 253.434 2.029 20 0 CEADMP C[C@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001246114383 813705242 /nfs/dbraw/zinc/70/52/42/813705242.db2.gz GAAPHWMNKBGWKK-JVLSTEMRSA-N 2 1 264.800 2.395 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997810 813716748 /nfs/dbraw/zinc/71/67/48/813716748.db2.gz ZBHITMCCJPDHDZ-OAHLLOKOSA-N 2 1 297.487 2.249 20 0 CEADMP Fc1ccc(OCCC[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246171869 813718941 /nfs/dbraw/zinc/71/89/41/813718941.db2.gz TWLMKZPSENGFTH-CQSZACIVSA-N 2 1 266.360 2.326 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C)C1 ZINC001246208858 813729991 /nfs/dbraw/zinc/72/99/91/813729991.db2.gz VPLPEEFZDXRFNX-AGIUHOORSA-N 2 1 270.417 2.214 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C[NH2+]1 ZINC001246254411 813754384 /nfs/dbraw/zinc/75/43/84/813754384.db2.gz GWSLUHJNACWEDQ-ZYHUDNBSSA-N 2 1 288.313 2.468 20 0 CEADMP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001246298285 813764531 /nfs/dbraw/zinc/76/45/31/813764531.db2.gz AFDACJDMDQPOJV-SOUVJXGZSA-N 2 1 266.429 2.049 20 0 CEADMP CC[C@H]1C[C@H](NCc2cccc(C[NH2+]C)c2)CC[NH2+]1 ZINC001246325371 813780064 /nfs/dbraw/zinc/78/00/64/813780064.db2.gz QKDCFEFWUKHVCV-JKSUJKDBSA-N 2 1 261.413 2.026 20 0 CEADMP CC[N@@H+]1C[C@H]2CN(Cc3cnc4cc(C)ccn34)C[C@H]2C1 ZINC001136894443 813789540 /nfs/dbraw/zinc/78/95/40/813789540.db2.gz SDIBWBWSRNFJHC-GASCZTMLSA-N 2 1 284.407 2.026 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001074015031 813799450 /nfs/dbraw/zinc/79/94/50/813799450.db2.gz PTTUWNNSQIXZJO-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001074015031 813799456 /nfs/dbraw/zinc/79/94/56/813799456.db2.gz PTTUWNNSQIXZJO-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001074015031 813799460 /nfs/dbraw/zinc/79/94/60/813799460.db2.gz PTTUWNNSQIXZJO-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001074064686 813800247 /nfs/dbraw/zinc/80/02/47/813800247.db2.gz IHMPNCFOXQRMBJ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001074064686 813800254 /nfs/dbraw/zinc/80/02/54/813800254.db2.gz IHMPNCFOXQRMBJ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001074064686 813800262 /nfs/dbraw/zinc/80/02/62/813800262.db2.gz IHMPNCFOXQRMBJ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001074092011 813802993 /nfs/dbraw/zinc/80/29/93/813802993.db2.gz QTNUBSHAZKQFEJ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001074092011 813803007 /nfs/dbraw/zinc/80/30/07/813803007.db2.gz QTNUBSHAZKQFEJ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001074092011 813803016 /nfs/dbraw/zinc/80/30/16/813803016.db2.gz QTNUBSHAZKQFEJ-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH2+]CC[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001246455052 813828269 /nfs/dbraw/zinc/82/82/69/813828269.db2.gz WFALWJUOAKJKIT-CYBMUJFWSA-N 2 1 268.351 2.410 20 0 CEADMP COc1ncc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1C ZINC001137007798 813829572 /nfs/dbraw/zinc/82/95/72/813829572.db2.gz LHQWKKLFDWQPNA-MRXNPFEDSA-N 2 1 299.374 2.447 20 0 CEADMP COc1ncc(CN2CC[C@@H](Oc3ccncc3)C2)cc1C ZINC001137007798 813829583 /nfs/dbraw/zinc/82/95/83/813829583.db2.gz LHQWKKLFDWQPNA-MRXNPFEDSA-N 2 1 299.374 2.447 20 0 CEADMP CCCC(C[NH3+])(CCC)[NH2+][C@@H]1CCN(C(=O)OCC)C1 ZINC001246494521 813865602 /nfs/dbraw/zinc/86/56/02/813865602.db2.gz HBQODGIVXZQEPK-CYBMUJFWSA-N 2 1 285.432 2.105 20 0 CEADMP [NH3+]C[C@@]1(F)CCC[N@H+](C2CCC3(COC3)CC2)CC1 ZINC001246548751 813992020 /nfs/dbraw/zinc/99/20/20/813992020.db2.gz KASCYQKVFNMZSN-OAHLLOKOSA-N 2 1 270.392 2.099 20 0 CEADMP CSCC[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246555682 814028743 /nfs/dbraw/zinc/02/87/43/814028743.db2.gz HHTPSBXOKCAFAN-ZJUUUORDSA-N 2 1 252.374 2.044 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC001246559362 814043017 /nfs/dbraw/zinc/04/30/17/814043017.db2.gz ACIUTCYNNVUTSQ-GWOFURMSSA-N 2 1 268.298 2.207 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC001246559362 814043023 /nfs/dbraw/zinc/04/30/23/814043023.db2.gz ACIUTCYNNVUTSQ-GWOFURMSSA-N 2 1 268.298 2.207 20 0 CEADMP C[C@H]1C[NH2+]CC[N@@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001246575209 814116839 /nfs/dbraw/zinc/11/68/39/814116839.db2.gz WFMKRESZXHQUFU-JSGCOSHPSA-N 2 1 262.372 2.224 20 0 CEADMP C[C@H]1C[NH2+]CC[N@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001246575209 814116843 /nfs/dbraw/zinc/11/68/43/814116843.db2.gz WFMKRESZXHQUFU-JSGCOSHPSA-N 2 1 262.372 2.224 20 0 CEADMP C[C@@H]1CC([N@H+]2CCC[C@](C)(C[NH3+])CC2)C[C@@H](C)O1 ZINC001246578484 814135661 /nfs/dbraw/zinc/13/56/61/814135661.db2.gz REOKYZOIAGLNIP-NFAWXSAZSA-N 2 1 254.418 2.393 20 0 CEADMP Cc1ccnc(C2(C[NH2+]C3CC[NH+](C)CC3)CC2)c1 ZINC001256202055 814182876 /nfs/dbraw/zinc/18/28/76/814182876.db2.gz VZQOQWVCLNAOLU-UHFFFAOYSA-N 2 1 259.397 2.105 20 0 CEADMP CCCC[C@H](CCC)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246605938 814204368 /nfs/dbraw/zinc/20/43/68/814204368.db2.gz SHOVMBNJTBDLRC-HNNXBMFYSA-N 2 1 267.461 2.373 20 0 CEADMP C1C[C@@]2(CC[N@@H+]([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)C[NH2+]1 ZINC001246630729 814230343 /nfs/dbraw/zinc/23/03/43/814230343.db2.gz KZTWLGDBZLCXCP-JKSUJKDBSA-N 3 1 277.456 2.127 20 0 CEADMP C1C[C@@]2(CC[N@H+]([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)C[NH2+]1 ZINC001246630729 814230350 /nfs/dbraw/zinc/23/03/50/814230350.db2.gz KZTWLGDBZLCXCP-JKSUJKDBSA-N 3 1 277.456 2.127 20 0 CEADMP CC(C)[C@@H]1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CCN1 ZINC001246689263 814258122 /nfs/dbraw/zinc/25/81/22/814258122.db2.gz ZVZMJLNNJWEOGC-INIZCTEOSA-N 2 1 279.472 2.229 20 0 CEADMP CC(C)[C@@H]1CN(C2CCC3(CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246689263 814258127 /nfs/dbraw/zinc/25/81/27/814258127.db2.gz ZVZMJLNNJWEOGC-INIZCTEOSA-N 2 1 279.472 2.229 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC001146711454 814312391 /nfs/dbraw/zinc/31/23/91/814312391.db2.gz SFWJMWXQOIMSRO-JKSUJKDBSA-N 2 1 297.487 2.250 20 0 CEADMP CCCCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601130 814399614 /nfs/dbraw/zinc/39/96/14/814399614.db2.gz MRSFKBIAOZOVDK-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP CCCCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601130 814399622 /nfs/dbraw/zinc/39/96/22/814399622.db2.gz MRSFKBIAOZOVDK-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP COc1cccc2c1C[C@@H]([N@@H+](CCC[NH3+])C(C)C)CO2 ZINC001173146825 815606372 /nfs/dbraw/zinc/60/63/72/815606372.db2.gz CNLYCAMNVJKOML-CYBMUJFWSA-N 2 1 278.396 2.058 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC1CC2(CCC2)C1 ZINC001148577738 814590768 /nfs/dbraw/zinc/59/07/68/814590768.db2.gz BAGMHEBUYQAKAD-UHFFFAOYSA-N 2 1 295.471 2.004 20 0 CEADMP CCCC[N@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148625585 814597703 /nfs/dbraw/zinc/59/77/03/814597703.db2.gz GEGIASVFNBQOOH-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCN(CC[NH2+]CC(C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001273448565 814634814 /nfs/dbraw/zinc/63/48/14/814634814.db2.gz DJCUJHXOBVXVKV-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)C1CCC(N2CC([NH+]3CCCC3)C2)CC1 ZINC001173112367 815583902 /nfs/dbraw/zinc/58/39/02/815583902.db2.gz WKLGGLUJZQPXHQ-UHFFFAOYSA-N 2 1 279.472 2.419 20 0 CEADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCc2ncsc2C1 ZINC001173124530 815588206 /nfs/dbraw/zinc/58/82/06/815588206.db2.gz QHYJPVIZGZREKT-MCIGGMRASA-N 2 1 265.426 2.202 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171391443 814840420 /nfs/dbraw/zinc/84/04/20/814840420.db2.gz DBMXEOGRDRAIPG-CQSZACIVSA-N 2 1 262.372 2.367 20 0 CEADMP CC1(C)CC[C@@H](C[N@H+]2CCC[C@H](CC[NH3+])C2)OC1 ZINC000713596705 814865637 /nfs/dbraw/zinc/86/56/37/814865637.db2.gz NDRACZMFTLHBFI-KGLIPLIRSA-N 2 1 254.418 2.252 20 0 CEADMP C[N@@H+](C[C@@H]1CCC(C)(C)CO1)C1CCC([NH3+])CC1 ZINC000713596863 814867387 /nfs/dbraw/zinc/86/73/87/814867387.db2.gz PZZQCQMCXWVERI-RUXDESIVSA-N 2 1 254.418 2.393 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@H]1C(F)(F)F ZINC000714805657 814915565 /nfs/dbraw/zinc/91/55/65/814915565.db2.gz ZMBAUCSJBAKJMH-MROQNXINSA-N 2 1 276.346 2.492 20 0 CEADMP Cc1ccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000714993792 814920915 /nfs/dbraw/zinc/92/09/15/814920915.db2.gz FDTLELJDLJHWLK-WBVHZDCISA-N 2 1 274.408 2.448 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC001173169708 815621183 /nfs/dbraw/zinc/62/11/83/815621183.db2.gz XMJCKXMHOLTSPI-KTQBOKQISA-N 2 1 286.419 2.274 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC001173169708 815621190 /nfs/dbraw/zinc/62/11/90/815621190.db2.gz XMJCKXMHOLTSPI-KTQBOKQISA-N 2 1 286.419 2.274 20 0 CEADMP CCCC[C@H](CC(C)C)[NH2+]CCC[N@@H+](C)CCO ZINC001173258527 815642234 /nfs/dbraw/zinc/64/22/34/815642234.db2.gz VQUHCDDKGKEXLX-OAHLLOKOSA-N 2 1 258.450 2.495 20 0 CEADMP CC[N@H+]1CC[C@H](NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC001173354065 815694005 /nfs/dbraw/zinc/69/40/05/815694005.db2.gz VYNXQVIYSRZNEO-KRWDZBQOSA-N 2 1 279.472 2.325 20 0 CEADMP CC[N@H+]1CC[C@@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001173353404 815695046 /nfs/dbraw/zinc/69/50/46/815695046.db2.gz NHAOSYDWEOOJHY-HUUCEWRRSA-N 2 1 265.445 2.077 20 0 CEADMP CC[NH+]1CC[C@@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001173353404 815695053 /nfs/dbraw/zinc/69/50/53/815695053.db2.gz NHAOSYDWEOOJHY-HUUCEWRRSA-N 2 1 265.445 2.077 20 0 CEADMP CC[NH+]1CC[C@@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001173353404 815695054 /nfs/dbraw/zinc/69/50/54/815695054.db2.gz NHAOSYDWEOOJHY-HUUCEWRRSA-N 2 1 265.445 2.077 20 0 CEADMP CC[N@H+]1CC[C@H](n2cc(C[NH3+])c3cc(OC)ccc32)C1 ZINC001173355791 815696103 /nfs/dbraw/zinc/69/61/03/815696103.db2.gz WVDRGAZAEIGTSJ-ZDUSSCGKSA-N 2 1 273.380 2.375 20 0 CEADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001173356112 815697454 /nfs/dbraw/zinc/69/74/54/815697454.db2.gz FEIVQMSSQFKXRM-SJLPKXTDSA-N 2 1 291.483 2.491 20 0 CEADMP CCN1CC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001173356112 815697457 /nfs/dbraw/zinc/69/74/57/815697457.db2.gz FEIVQMSSQFKXRM-SJLPKXTDSA-N 2 1 291.483 2.491 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC001173662607 815780603 /nfs/dbraw/zinc/78/06/03/815780603.db2.gz YLAUGDFTMLRLSY-HLLBOEOZSA-N 2 1 294.439 2.136 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC001173662607 815780606 /nfs/dbraw/zinc/78/06/06/815780606.db2.gz YLAUGDFTMLRLSY-HLLBOEOZSA-N 2 1 294.439 2.136 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC001173662607 815780609 /nfs/dbraw/zinc/78/06/09/815780609.db2.gz YLAUGDFTMLRLSY-HLLBOEOZSA-N 2 1 294.439 2.136 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@H](n2cc[nH+]c2CCC[NH3+])C1 ZINC001173651956 815793385 /nfs/dbraw/zinc/79/33/85/815793385.db2.gz PNQONSWYERQVPQ-STQMWFEESA-N 2 1 279.384 2.069 20 0 CEADMP Cc1cc(Nc2ccc(C[NH+]3CCOCC3)cc2)cc[nH+]1 ZINC001174444080 816002711 /nfs/dbraw/zinc/00/27/11/816002711.db2.gz SJMGVZIUJRTHLA-UHFFFAOYSA-N 2 1 283.375 2.388 20 0 CEADMP Cc1cnc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)s1 ZINC001139814036 816116776 /nfs/dbraw/zinc/11/67/76/816116776.db2.gz TUUXVUBDBLLZAG-UHFFFAOYSA-N 2 1 265.426 2.369 20 0 CEADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)c(O)c(C)c3)C[C@H]2C1 ZINC001140662434 816316991 /nfs/dbraw/zinc/31/69/91/816316991.db2.gz UFOGPUJEBCFBKT-HZPDHXFCSA-N 2 1 274.408 2.393 20 0 CEADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc[nH]c2)CC1 ZINC001140705257 816326518 /nfs/dbraw/zinc/32/65/18/816326518.db2.gz FWTDSBBJDRVYJW-UHFFFAOYSA-N 2 1 270.380 2.457 20 0 CEADMP CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176166559 816359277 /nfs/dbraw/zinc/35/92/77/816359277.db2.gz SEILWLHJQOORHW-CVEARBPZSA-N 2 1 297.487 2.393 20 0 CEADMP CN1CC2(CC1=O)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140806230 816368161 /nfs/dbraw/zinc/36/81/61/816368161.db2.gz YQVURAMEPKFWPW-UHFFFAOYSA-N 2 1 298.390 2.007 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC1 ZINC001176283901 816376603 /nfs/dbraw/zinc/37/66/03/816376603.db2.gz ANNJDXXETALMNJ-CQSZACIVSA-N 2 1 283.460 2.003 20 0 CEADMP C[NH+](C)CC1CC[NH+](Cc2c[nH]nc2C(F)(F)F)CC1 ZINC001141014913 816444392 /nfs/dbraw/zinc/44/43/92/816444392.db2.gz HHIKSGSVUNVHOV-UHFFFAOYSA-N 2 1 290.333 2.202 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC001177225857 816534390 /nfs/dbraw/zinc/53/43/90/816534390.db2.gz LUBDGXBGPIVJQO-OFQRWUPVSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(F)cn2)CC1 ZINC001206303620 816560217 /nfs/dbraw/zinc/56/02/17/816560217.db2.gz DZLSUQRVUCGZQC-CQSZACIVSA-N 2 1 251.349 2.172 20 0 CEADMP C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001206309488 816608061 /nfs/dbraw/zinc/60/80/61/816608061.db2.gz RSCCXHAJUNQNLV-JKSUJKDBSA-N 2 1 289.423 2.329 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc3nccn3c2)CC1 ZINC001206311251 816646801 /nfs/dbraw/zinc/64/68/01/816646801.db2.gz LHRRPRRPWWBCKG-MRXNPFEDSA-N 2 1 272.396 2.285 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C ZINC001161226588 816814954 /nfs/dbraw/zinc/81/49/54/816814954.db2.gz KASZZTOXQWHPHZ-HNNXBMFYSA-N 2 1 299.503 2.495 20 0 CEADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC001206363425 816827515 /nfs/dbraw/zinc/82/75/15/816827515.db2.gz WYJVBEUMIIIDMT-OAHLLOKOSA-N 2 1 276.359 2.216 20 0 CEADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC001206363425 816827520 /nfs/dbraw/zinc/82/75/20/816827520.db2.gz WYJVBEUMIIIDMT-OAHLLOKOSA-N 2 1 276.359 2.216 20 0 CEADMP CCO[C@@H](C[NH2+]CC(C(C)C)C(C)C)C[NH+](C)C ZINC001179559445 816879211 /nfs/dbraw/zinc/87/92/11/816879211.db2.gz IAUOKZRAIGVEMR-AWEZNQCLSA-N 2 1 258.450 2.471 20 0 CEADMP c1c2cccnc2oc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449075608 282090460 /nfs/dbraw/zinc/09/04/60/282090460.db2.gz NRPRIWLDJYOOPT-LBPRGKRZSA-N 2 1 271.364 2.402 20 0 CEADMP c1c2cccnc2oc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449075608 282090462 /nfs/dbraw/zinc/09/04/62/282090462.db2.gz NRPRIWLDJYOOPT-LBPRGKRZSA-N 2 1 271.364 2.402 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000449077113 282090945 /nfs/dbraw/zinc/09/09/45/282090945.db2.gz IXSCKJDXXBUBSL-SOUVJXGZSA-N 2 1 256.434 2.369 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449091437 282096907 /nfs/dbraw/zinc/09/69/07/282096907.db2.gz JHBJXKZKSSJVNR-OAHLLOKOSA-N 2 1 266.429 2.146 20 0 CEADMP COc1ccc(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000082586018 178121362 /nfs/dbraw/zinc/12/13/62/178121362.db2.gz KNAJUGIAELHTRN-UHFFFAOYSA-N 2 1 274.408 2.313 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000567624287 299068517 /nfs/dbraw/zinc/06/85/17/299068517.db2.gz LFPQAUCWOZIMHN-NVXWUHKLSA-N 2 1 294.414 2.003 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000567624287 299068519 /nfs/dbraw/zinc/06/85/19/299068519.db2.gz LFPQAUCWOZIMHN-NVXWUHKLSA-N 2 1 294.414 2.003 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000567624287 299068525 /nfs/dbraw/zinc/06/85/25/299068525.db2.gz LFPQAUCWOZIMHN-NVXWUHKLSA-N 2 1 294.414 2.003 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000567624287 299068529 /nfs/dbraw/zinc/06/85/29/299068529.db2.gz LFPQAUCWOZIMHN-NVXWUHKLSA-N 2 1 294.414 2.003 20 0 CEADMP C[C@H]1C[N@@H+](CC2CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000336437881 365576150 /nfs/dbraw/zinc/57/61/50/365576150.db2.gz DDTGUBMNZDVEIZ-HNNXBMFYSA-N 2 1 279.472 2.277 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000124936354 187161975 /nfs/dbraw/zinc/16/19/75/187161975.db2.gz ARLREKIUKLGNGY-CYBMUJFWSA-N 2 1 263.385 2.195 20 0 CEADMP COC(C)(C)C[N@@H+](C)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000567662330 299071811 /nfs/dbraw/zinc/07/18/11/299071811.db2.gz LMSZVBZXBFUGGC-ZDUSSCGKSA-N 2 1 268.376 2.225 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000124979924 187163997 /nfs/dbraw/zinc/16/39/97/187163997.db2.gz UMZXPIPYNRCKBS-UHFFFAOYSA-N 2 1 283.803 2.210 20 0 CEADMP Cc1cc(NCC[N@H+]2CCOC(C)(C)C2)c2ccccc2[nH+]1 ZINC000337622661 214184013 /nfs/dbraw/zinc/18/40/13/214184013.db2.gz BJXFGCCFKMTGIW-UHFFFAOYSA-N 2 1 299.418 2.488 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)oc1C ZINC000336562204 365648562 /nfs/dbraw/zinc/64/85/62/365648562.db2.gz CNCQOYKZJPVNBA-CQSZACIVSA-N 2 1 263.385 2.113 20 0 CEADMP COCC[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000124710046 365657233 /nfs/dbraw/zinc/65/72/33/365657233.db2.gz MDRRENMLFUKCFV-LBPRGKRZSA-N 2 1 292.427 2.077 20 0 CEADMP CC1CC[NH+](CC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000125165538 187173269 /nfs/dbraw/zinc/17/32/69/187173269.db2.gz LKZMBPUNBMUOSN-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CCOc1cncc(C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000621329482 349562480 /nfs/dbraw/zinc/56/24/80/349562480.db2.gz DPWLPUZQXMOBCC-UHFFFAOYSA-N 2 1 274.368 2.165 20 0 CEADMP CCOc1cncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000621330112 349563060 /nfs/dbraw/zinc/56/30/60/349563060.db2.gz ZKBRPOVWAHKPIN-LSDHHAIUSA-N 2 1 275.396 2.197 20 0 CEADMP CCOc1cncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000621330112 349563066 /nfs/dbraw/zinc/56/30/66/349563066.db2.gz ZKBRPOVWAHKPIN-LSDHHAIUSA-N 2 1 275.396 2.197 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000337751221 214245776 /nfs/dbraw/zinc/24/57/76/214245776.db2.gz JDMYVBVQDLGHCS-MRXNPFEDSA-N 2 1 262.397 2.299 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000567681551 299074765 /nfs/dbraw/zinc/07/47/65/299074765.db2.gz VSTTWQZMXRVCOT-NEPJUHHUSA-N 2 1 282.350 2.010 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000567681551 299074767 /nfs/dbraw/zinc/07/47/67/299074767.db2.gz VSTTWQZMXRVCOT-NEPJUHHUSA-N 2 1 282.350 2.010 20 0 CEADMP Cc1cc(C)cc(OCCC[N@@H+]2CCC[NH2+]CC2)c1 ZINC000036946401 361873486 /nfs/dbraw/zinc/87/34/86/361873486.db2.gz DPTTZHJQLDQVPV-UHFFFAOYSA-N 2 1 262.397 2.368 20 0 CEADMP Cc1cc(C)cc(OCCC[N@H+]2CCC[NH2+]CC2)c1 ZINC000036946401 361873490 /nfs/dbraw/zinc/87/34/90/361873490.db2.gz DPTTZHJQLDQVPV-UHFFFAOYSA-N 2 1 262.397 2.368 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nc3ccccn32)C1 ZINC000037644458 361918128 /nfs/dbraw/zinc/91/81/28/361918128.db2.gz BMMIALUWYCSWLK-AWEZNQCLSA-N 2 1 272.396 2.074 20 0 CEADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000449244048 282156476 /nfs/dbraw/zinc/15/64/76/282156476.db2.gz PGHCZNBZMRPDBA-PMPSAXMXSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000449244048 282156480 /nfs/dbraw/zinc/15/64/80/282156480.db2.gz PGHCZNBZMRPDBA-PMPSAXMXSA-N 2 1 268.445 2.248 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000449244189 282156533 /nfs/dbraw/zinc/15/65/33/282156533.db2.gz QNYFVCVRCNMKHP-CABCVRRESA-N 2 1 254.418 2.002 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000449244189 282156536 /nfs/dbraw/zinc/15/65/36/282156536.db2.gz QNYFVCVRCNMKHP-CABCVRRESA-N 2 1 254.418 2.002 20 0 CEADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000449244192 282156649 /nfs/dbraw/zinc/15/66/49/282156649.db2.gz QNYFVCVRCNMKHP-LSDHHAIUSA-N 2 1 254.418 2.002 20 0 CEADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000449244192 282156650 /nfs/dbraw/zinc/15/66/50/282156650.db2.gz QNYFVCVRCNMKHP-LSDHHAIUSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000037981977 361971405 /nfs/dbraw/zinc/97/14/05/361971405.db2.gz KOBZOELISSQLFE-DOMZBBRYSA-N 2 1 282.815 2.447 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CCOCC1 ZINC000337990997 214348089 /nfs/dbraw/zinc/34/80/89/214348089.db2.gz VDVHKYNCGCNCEO-CABCVRRESA-N 2 1 266.429 2.266 20 0 CEADMP COC[C@H]([NH2+]CCCn1cc[nH+]c1C)C1CCCC1 ZINC000338019398 214364642 /nfs/dbraw/zinc/36/46/42/214364642.db2.gz JSMPZXXEYINXPN-HNNXBMFYSA-N 2 1 265.401 2.376 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+]CCCn2cc[nH+]c2C)n1 ZINC000338019592 214365014 /nfs/dbraw/zinc/36/50/14/214365014.db2.gz XOXIMIASOBQJSJ-ZDUSSCGKSA-N 2 1 288.395 2.206 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621642246 349650052 /nfs/dbraw/zinc/65/00/52/349650052.db2.gz IYHDVYWEKCPSJQ-CVEARBPZSA-N 2 1 295.471 2.003 20 0 CEADMP CCOc1cncc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000621719760 349676808 /nfs/dbraw/zinc/67/68/08/349676808.db2.gz VUBVSKVTEXVNOW-NVXWUHKLSA-N 2 1 289.423 2.396 20 0 CEADMP CCc1noc(C)c1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000567723968 299081864 /nfs/dbraw/zinc/08/18/64/299081864.db2.gz KLBNUJVIRMHWGV-JQWIXIFHSA-N 2 1 251.374 2.023 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccn1 ZINC000621776160 349698456 /nfs/dbraw/zinc/69/84/56/349698456.db2.gz DFWAGBYBUKXGRE-HOTGVXAUSA-N 2 1 259.397 2.212 20 0 CEADMP CCn1nccc1CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000621776871 349698882 /nfs/dbraw/zinc/69/88/82/349698882.db2.gz YQLQFSSKHGCCSJ-MRXNPFEDSA-N 2 1 290.455 2.157 20 0 CEADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c2ccccc21 ZINC000621761686 349695206 /nfs/dbraw/zinc/69/52/06/349695206.db2.gz LDGDOLLZEVOGQI-CZUORRHYSA-N 2 1 289.423 2.272 20 0 CEADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC000126008588 187210758 /nfs/dbraw/zinc/21/07/58/187210758.db2.gz MFEPQQFPBQHDDY-ZFWWWQNUSA-N 2 1 254.418 2.121 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CCOc3ccccc31)C2 ZINC000622004536 349764876 /nfs/dbraw/zinc/76/48/76/349764876.db2.gz QGGMRLPHYCQHOI-VBQJREDUSA-N 2 1 272.392 2.366 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2c[nH+]cn2C)o1 ZINC000401722313 539254461 /nfs/dbraw/zinc/25/44/61/539254461.db2.gz BBRZMPPYEVPYTR-UHFFFAOYSA-N 2 1 285.351 2.044 20 0 CEADMP Cc1cccn2cc(CCNc3cc[nH+]c(N(C)C)n3)nc12 ZINC000080675925 539262432 /nfs/dbraw/zinc/26/24/32/539262432.db2.gz IYSDYBPUCQSSDP-UHFFFAOYSA-N 2 1 296.378 2.153 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@@H]1CC1(F)F ZINC000622016948 349770971 /nfs/dbraw/zinc/77/09/71/349770971.db2.gz WBHYRIMGJZGUQC-HUUCEWRRSA-N 2 1 298.377 2.114 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@@H]1CC1(F)F ZINC000622016948 349770974 /nfs/dbraw/zinc/77/09/74/349770974.db2.gz WBHYRIMGJZGUQC-HUUCEWRRSA-N 2 1 298.377 2.114 20 0 CEADMP CCC[C@@H](C)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785233 539271908 /nfs/dbraw/zinc/27/19/08/539271908.db2.gz OQSHOCMOYIGXRX-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP Cc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000040997580 362010794 /nfs/dbraw/zinc/01/07/94/362010794.db2.gz BGNNGKPRSIBTHH-YOGCLGLASA-N 2 1 251.399 2.166 20 0 CEADMP Cc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000040997580 362010802 /nfs/dbraw/zinc/01/08/02/362010802.db2.gz BGNNGKPRSIBTHH-YOGCLGLASA-N 2 1 251.399 2.166 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000311378879 539283464 /nfs/dbraw/zinc/28/34/64/539283464.db2.gz WUCQJVCUXWSNIB-QJPTWQEYSA-N 2 1 282.350 2.416 20 0 CEADMP C[C@@H](C[N@H+](C)Cc1ccccc1)NC1CC[NH+](C)CC1 ZINC000126320482 187232740 /nfs/dbraw/zinc/23/27/40/187232740.db2.gz DRPZXGYJQQJVCO-HNNXBMFYSA-N 2 1 275.440 2.191 20 0 CEADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH+](C)CC1 ZINC000126320482 187232741 /nfs/dbraw/zinc/23/27/41/187232741.db2.gz DRPZXGYJQQJVCO-HNNXBMFYSA-N 2 1 275.440 2.191 20 0 CEADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC[C@@H](C)c2ccccc2)CCO1 ZINC000227717410 539314419 /nfs/dbraw/zinc/31/44/19/539314419.db2.gz WMXFYFRTQWSEDW-IIAWOOMASA-N 2 1 262.397 2.228 20 0 CEADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC[C@@H](C)c2ccccc2)CCO1 ZINC000227717410 539314421 /nfs/dbraw/zinc/31/44/21/539314421.db2.gz WMXFYFRTQWSEDW-IIAWOOMASA-N 2 1 262.397 2.228 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2c[nH]nc2C)C1 ZINC000245904443 539313016 /nfs/dbraw/zinc/31/30/16/539313016.db2.gz FEAICUCLMXRANZ-YPMHNXCESA-N 2 1 250.390 2.101 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2c[nH]nc2C)C1 ZINC000245904443 539313018 /nfs/dbraw/zinc/31/30/18/539313018.db2.gz FEAICUCLMXRANZ-YPMHNXCESA-N 2 1 250.390 2.101 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2c[nH]nc2C)C1 ZINC000245904441 539313151 /nfs/dbraw/zinc/31/31/51/539313151.db2.gz FEAICUCLMXRANZ-DGCLKSJQSA-N 2 1 250.390 2.101 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2c[nH]nc2C)C1 ZINC000245904441 539313152 /nfs/dbraw/zinc/31/31/52/539313152.db2.gz FEAICUCLMXRANZ-DGCLKSJQSA-N 2 1 250.390 2.101 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2=CCCOC2)[C@H](C)C1 ZINC000127345108 365743201 /nfs/dbraw/zinc/74/32/01/365743201.db2.gz VKQHCENLRNUHAW-WBVHZDCISA-N 2 1 296.455 2.060 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc(C)c1O ZINC000044533874 343474185 /nfs/dbraw/zinc/47/41/85/343474185.db2.gz MUIHYVNRYCYIOT-AWEZNQCLSA-N 2 1 262.397 2.440 20 0 CEADMP CCSCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336692762 365760885 /nfs/dbraw/zinc/76/08/85/365760885.db2.gz ISBBUCDHBKAYOK-CQSZACIVSA-N 2 1 256.459 2.403 20 0 CEADMP CCSCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336692762 365760893 /nfs/dbraw/zinc/76/08/93/365760893.db2.gz ISBBUCDHBKAYOK-CQSZACIVSA-N 2 1 256.459 2.403 20 0 CEADMP CCSCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336692762 365760902 /nfs/dbraw/zinc/76/09/02/365760902.db2.gz ISBBUCDHBKAYOK-CQSZACIVSA-N 2 1 256.459 2.403 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000351273728 219088573 /nfs/dbraw/zinc/08/85/73/219088573.db2.gz XKLZHHKFHXJBRC-IAGOWNOFSA-N 2 1 279.472 2.279 20 0 CEADMP CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000336700436 365765298 /nfs/dbraw/zinc/76/52/98/365765298.db2.gz DVNIGSWGIQMDEH-QGZVFWFLSA-N 2 1 276.424 2.352 20 0 CEADMP CC(C)[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000336700436 365765302 /nfs/dbraw/zinc/76/53/02/365765302.db2.gz DVNIGSWGIQMDEH-QGZVFWFLSA-N 2 1 276.424 2.352 20 0 CEADMP CC(C)[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336700436 365765306 /nfs/dbraw/zinc/76/53/06/365765306.db2.gz DVNIGSWGIQMDEH-QGZVFWFLSA-N 2 1 276.424 2.352 20 0 CEADMP CC(C)[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336700436 365765308 /nfs/dbraw/zinc/76/53/08/365765308.db2.gz DVNIGSWGIQMDEH-QGZVFWFLSA-N 2 1 276.424 2.352 20 0 CEADMP COCC(COC)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449547768 282279463 /nfs/dbraw/zinc/27/94/63/282279463.db2.gz YRWBWDHTRIYDAJ-YOEHRIQHSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000336711990 365775625 /nfs/dbraw/zinc/77/56/25/365775625.db2.gz LQECBFYFQMNLFB-HNNXBMFYSA-N 3 1 275.440 2.368 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCCOC2)CC1 ZINC000336710800 365776323 /nfs/dbraw/zinc/77/63/23/365776323.db2.gz NGNSMWVMLJGHMC-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H](CC1CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561686 282283867 /nfs/dbraw/zinc/28/38/67/282283867.db2.gz XDJWNQPZNRETEY-WWTUQBGBSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)[NH+](CCN[C@H]1C[C@H](C)[N@H+](C2CC2)C1)C(C)C ZINC000128385223 365786704 /nfs/dbraw/zinc/78/67/04/365786704.db2.gz NLFYMRSVZZBPFW-GJZGRUSLSA-N 2 1 267.461 2.320 20 0 CEADMP COc1cccc(CCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000351486446 219103081 /nfs/dbraw/zinc/10/30/81/219103081.db2.gz ARXTUFZQMHRCAN-USXIJHARSA-N 2 1 274.408 2.297 20 0 CEADMP CCn1cc(CC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cn1 ZINC000351490216 219103897 /nfs/dbraw/zinc/10/38/97/219103897.db2.gz FFRHLJKARUDHGM-INIZCTEOSA-N 2 1 278.444 2.252 20 0 CEADMP CCn1cc(CC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cn1 ZINC000351490216 219103898 /nfs/dbraw/zinc/10/38/98/219103898.db2.gz FFRHLJKARUDHGM-INIZCTEOSA-N 2 1 278.444 2.252 20 0 CEADMP CCn1cc(CC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000351490216 219103899 /nfs/dbraw/zinc/10/38/99/219103899.db2.gz FFRHLJKARUDHGM-INIZCTEOSA-N 2 1 278.444 2.252 20 0 CEADMP CCn1cc(CC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000351490216 219103901 /nfs/dbraw/zinc/10/39/01/219103901.db2.gz FFRHLJKARUDHGM-INIZCTEOSA-N 2 1 278.444 2.252 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)CCc1cncs1 ZINC000411675981 529886468 /nfs/dbraw/zinc/88/64/68/529886468.db2.gz QZTRJHLGTIBGGP-UHFFFAOYSA-N 2 1 253.415 2.103 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1cncs1 ZINC000411675981 529886469 /nfs/dbraw/zinc/88/64/69/529886469.db2.gz QZTRJHLGTIBGGP-UHFFFAOYSA-N 2 1 253.415 2.103 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000449623534 282307100 /nfs/dbraw/zinc/30/71/00/282307100.db2.gz JMUGRKFKMOINMD-OAHLLOKOSA-N 2 1 275.396 2.219 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOCC(C)C)C1 ZINC000336783570 365800514 /nfs/dbraw/zinc/80/05/14/365800514.db2.gz BOLLADKJZFXBNT-OAHLLOKOSA-N 2 1 256.434 2.323 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOCC(C)C)C1 ZINC000336783570 365800519 /nfs/dbraw/zinc/80/05/19/365800519.db2.gz BOLLADKJZFXBNT-OAHLLOKOSA-N 2 1 256.434 2.323 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOCC(C)C)C1 ZINC000336783570 365800525 /nfs/dbraw/zinc/80/05/25/365800525.db2.gz BOLLADKJZFXBNT-OAHLLOKOSA-N 2 1 256.434 2.323 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOCC(C)C)C1 ZINC000336783570 365800530 /nfs/dbraw/zinc/80/05/30/365800530.db2.gz BOLLADKJZFXBNT-OAHLLOKOSA-N 2 1 256.434 2.323 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H](NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000078998923 343969351 /nfs/dbraw/zinc/96/93/51/343969351.db2.gz BOXJOXLHGWWMGF-SFHVURJKSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000078998923 343969352 /nfs/dbraw/zinc/96/93/52/343969352.db2.gz BOXJOXLHGWWMGF-SFHVURJKSA-N 2 1 299.462 2.477 20 0 CEADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOCC2CC2)C1 ZINC000081634749 344060372 /nfs/dbraw/zinc/06/03/72/344060372.db2.gz DTMUUEMMJZKLQZ-MRXNPFEDSA-N 2 1 266.429 2.077 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOCC2CC2)C1 ZINC000081634749 344060374 /nfs/dbraw/zinc/06/03/74/344060374.db2.gz DTMUUEMMJZKLQZ-MRXNPFEDSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000081634749 344060379 /nfs/dbraw/zinc/06/03/79/344060379.db2.gz DTMUUEMMJZKLQZ-MRXNPFEDSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC000081634749 344060380 /nfs/dbraw/zinc/06/03/80/344060380.db2.gz DTMUUEMMJZKLQZ-MRXNPFEDSA-N 2 1 266.429 2.077 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOC(C)(C)C)C1 ZINC000081649494 344061545 /nfs/dbraw/zinc/06/15/45/344061545.db2.gz IJZGNKWTYKDBGW-OAHLLOKOSA-N 2 1 268.445 2.465 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOC(C)(C)C)C1 ZINC000081649494 344061546 /nfs/dbraw/zinc/06/15/46/344061546.db2.gz IJZGNKWTYKDBGW-OAHLLOKOSA-N 2 1 268.445 2.465 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000081649494 344061549 /nfs/dbraw/zinc/06/15/49/344061549.db2.gz IJZGNKWTYKDBGW-OAHLLOKOSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(Cl)cn1 ZINC000090409229 344139229 /nfs/dbraw/zinc/13/92/29/344139229.db2.gz ZNVGZVNDIVHYFW-AAEUAGOBSA-N 2 1 283.803 2.044 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCc3ccccc32)[C@H](C)C1 ZINC000090779830 344143656 /nfs/dbraw/zinc/14/36/56/344143656.db2.gz AEGOYMLHGFLZKV-FHLIZLRMSA-N 2 1 288.435 2.140 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000090857306 344144655 /nfs/dbraw/zinc/14/46/55/344144655.db2.gz YUWCNPBBAOYISR-KBXIAJHMSA-N 2 1 252.402 2.160 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000090972111 344147754 /nfs/dbraw/zinc/14/77/54/344147754.db2.gz HWPCNLQTTPVYSB-NHYWBVRUSA-N 2 1 266.360 2.264 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000090972111 344147756 /nfs/dbraw/zinc/14/77/56/344147756.db2.gz HWPCNLQTTPVYSB-NHYWBVRUSA-N 2 1 266.360 2.264 20 0 CEADMP Clc1ccc(OCCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107578921 344261042 /nfs/dbraw/zinc/26/10/42/344261042.db2.gz YWDXRJKEHUAQQD-BETUJISGSA-N 2 1 280.799 2.260 20 0 CEADMP Fc1cc2cccnc2c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107580234 344261182 /nfs/dbraw/zinc/26/11/82/344261182.db2.gz UNKZPFLMQGTIOR-KBPBESRZSA-N 2 1 271.339 2.025 20 0 CEADMP c1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000107800723 344261763 /nfs/dbraw/zinc/26/17/63/344261763.db2.gz FDTJQWRMAAEWOZ-UHFFFAOYSA-N 2 1 282.391 2.362 20 0 CEADMP COc1ccc(OC)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000131472951 344358317 /nfs/dbraw/zinc/35/83/17/344358317.db2.gz FTKDFROYEGLHJT-DGCLKSJQSA-N 2 1 264.369 2.015 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000131472951 344358318 /nfs/dbraw/zinc/35/83/18/344358318.db2.gz FTKDFROYEGLHJT-DGCLKSJQSA-N 2 1 264.369 2.015 20 0 CEADMP C[N@H+](CCC[NH3+])Cc1cc(Cl)cc2c1OCC2 ZINC000228469430 344560417 /nfs/dbraw/zinc/56/04/17/344560417.db2.gz SSWOWSLEQKSCNT-UHFFFAOYSA-N 2 1 254.761 2.056 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1cc(Cl)cc2c1OCC2 ZINC000228469430 344560419 /nfs/dbraw/zinc/56/04/19/344560419.db2.gz SSWOWSLEQKSCNT-UHFFFAOYSA-N 2 1 254.761 2.056 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2F)C1 ZINC000228596264 344561403 /nfs/dbraw/zinc/56/14/03/344561403.db2.gz PHSLCWFTJQQRNM-LBPRGKRZSA-N 2 1 266.360 2.266 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2F)C1 ZINC000228596264 344561405 /nfs/dbraw/zinc/56/14/05/344561405.db2.gz PHSLCWFTJQQRNM-LBPRGKRZSA-N 2 1 266.360 2.266 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1F ZINC000234578834 344585682 /nfs/dbraw/zinc/58/56/82/344585682.db2.gz AVXHXGHCZGTCTQ-UHFFFAOYSA-N 2 1 294.370 2.188 20 0 CEADMP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050248068 362412564 /nfs/dbraw/zinc/41/25/64/362412564.db2.gz LDSJNPUMEIYKKJ-HNNXBMFYSA-N 2 1 262.397 2.353 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1CC(=O)OC ZINC000259917940 344651570 /nfs/dbraw/zinc/65/15/70/344651570.db2.gz FDQBGQCNZXNATF-AWEZNQCLSA-N 2 1 270.417 2.136 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1CC(=O)OC ZINC000259917940 344651571 /nfs/dbraw/zinc/65/15/71/344651571.db2.gz FDQBGQCNZXNATF-AWEZNQCLSA-N 2 1 270.417 2.136 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCOCc1ccccc1 ZINC000309963747 344730082 /nfs/dbraw/zinc/73/00/82/344730082.db2.gz JSHGPDBRAKJEHH-ZBFHGGJFSA-N 2 1 262.397 2.405 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](CC(C)C)C1CCCC1 ZINC000310857766 344731972 /nfs/dbraw/zinc/73/19/72/344731972.db2.gz JZWAIPJVRXWQJP-HNNXBMFYSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](CC(C)C)C1CCCC1 ZINC000310857766 344731975 /nfs/dbraw/zinc/73/19/75/344731975.db2.gz JZWAIPJVRXWQJP-HNNXBMFYSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](CC(C)C)C1CCCC1 ZINC000310857766 344731977 /nfs/dbraw/zinc/73/19/77/344731977.db2.gz JZWAIPJVRXWQJP-HNNXBMFYSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CC(C)C)C1CCCC1 ZINC000310857766 344731979 /nfs/dbraw/zinc/73/19/79/344731979.db2.gz JZWAIPJVRXWQJP-HNNXBMFYSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC(C)C)C1CCCC1 ZINC000310857766 344731982 /nfs/dbraw/zinc/73/19/82/344731982.db2.gz JZWAIPJVRXWQJP-HNNXBMFYSA-N 2 1 256.434 2.200 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000312790480 344740518 /nfs/dbraw/zinc/74/05/18/344740518.db2.gz FQFUPNXIURAROJ-ZDUSSCGKSA-N 2 1 276.428 2.206 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000312790480 344740520 /nfs/dbraw/zinc/74/05/20/344740520.db2.gz FQFUPNXIURAROJ-ZDUSSCGKSA-N 2 1 276.428 2.206 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1(CC)CC ZINC000351605960 219144096 /nfs/dbraw/zinc/14/40/96/219144096.db2.gz SNMOAIJNTSVONT-ARFHVFGLSA-N 2 1 298.471 2.015 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1(CC)CC ZINC000351605960 219144097 /nfs/dbraw/zinc/14/40/97/219144097.db2.gz SNMOAIJNTSVONT-ARFHVFGLSA-N 2 1 298.471 2.015 20 0 CEADMP CCc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC000379905911 344821744 /nfs/dbraw/zinc/82/17/44/344821744.db2.gz KCYAIJJFZKSQRG-FZMZJTMJSA-N 2 1 250.411 2.494 20 0 CEADMP CCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC000379905911 344821745 /nfs/dbraw/zinc/82/17/45/344821745.db2.gz KCYAIJJFZKSQRG-FZMZJTMJSA-N 2 1 250.411 2.494 20 0 CEADMP CCn1nc(C[NH2+]CCc2c[nH+]cn2C)c2ccccc21 ZINC000401813234 344870439 /nfs/dbraw/zinc/87/04/39/344870439.db2.gz VRWRWOFGRUAWPY-UHFFFAOYSA-N 2 1 283.379 2.122 20 0 CEADMP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cccs1 ZINC000568154082 299116796 /nfs/dbraw/zinc/11/67/96/299116796.db2.gz NEBLHXYKSMQRFU-SNVBAGLBSA-N 2 1 291.424 2.184 20 0 CEADMP CCOC(=O)CC[N@@H+](CC1CC1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000591272206 345236904 /nfs/dbraw/zinc/23/69/04/345236904.db2.gz WFVCYYOAIIGUJG-DZGCQCFKSA-N 2 1 282.428 2.040 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cc(C(=O)OC)sc2C)CC[C@H]1[NH3+] ZINC000592488229 345359334 /nfs/dbraw/zinc/35/93/34/345359334.db2.gz HICXDWROOUZUQE-DGCLKSJQSA-N 2 1 296.436 2.402 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cc(C(=O)OC)sc2C)CC[C@H]1[NH3+] ZINC000592488229 345359337 /nfs/dbraw/zinc/35/93/37/345359337.db2.gz HICXDWROOUZUQE-DGCLKSJQSA-N 2 1 296.436 2.402 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cc(C(=O)OC)sc2C)CC[C@H]1[NH3+] ZINC000592488231 345359385 /nfs/dbraw/zinc/35/93/85/345359385.db2.gz HICXDWROOUZUQE-WCQYABFASA-N 2 1 296.436 2.402 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cc(C(=O)OC)sc2C)CC[C@H]1[NH3+] ZINC000592488231 345359388 /nfs/dbraw/zinc/35/93/88/345359388.db2.gz HICXDWROOUZUQE-WCQYABFASA-N 2 1 296.436 2.402 20 0 CEADMP CCSCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592494020 345360298 /nfs/dbraw/zinc/36/02/98/345360298.db2.gz ZKDZVIIRKYNHCN-ZIAGYGMSSA-N 2 1 256.459 2.451 20 0 CEADMP CC[C@@H](C)[N@@H+](CCCC1CC[NH2+]CC1)CC(=O)OC ZINC000592493513 345360379 /nfs/dbraw/zinc/36/03/79/345360379.db2.gz RTPQWFATYRPNSK-CYBMUJFWSA-N 2 1 270.417 2.040 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592491702 345360404 /nfs/dbraw/zinc/36/04/04/345360404.db2.gz IKLDNWMZGWWEHH-CVEARBPZSA-N 2 1 296.455 2.431 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000593961074 345556944 /nfs/dbraw/zinc/55/69/44/345556944.db2.gz QBOIAUXSDSDBQE-ZDUSSCGKSA-N 2 1 293.411 2.016 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000593961074 345556946 /nfs/dbraw/zinc/55/69/46/345556946.db2.gz QBOIAUXSDSDBQE-ZDUSSCGKSA-N 2 1 293.411 2.016 20 0 CEADMP CC(C)OC(=O)C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000594046053 345572692 /nfs/dbraw/zinc/57/26/92/345572692.db2.gz NZQOGJAESRVOHF-HUUCEWRRSA-N 2 1 284.444 2.427 20 0 CEADMP CC(C)CSCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594502758 345639721 /nfs/dbraw/zinc/63/97/21/345639721.db2.gz QVUYSHRWTWXATA-OAHLLOKOSA-N 2 1 286.485 2.219 20 0 CEADMP CSCC[NH+](C)[C@H](C)CC[N@H+](C)CCSC ZINC000153688010 232224447 /nfs/dbraw/zinc/22/44/47/232224447.db2.gz NLYBUVIZNPKIOO-GFCCVEGCSA-N 2 1 264.504 2.355 20 0 CEADMP CSCC[NH+](C)CC[C@@H](C)[N@H+](C)CCSC ZINC000153688010 232224449 /nfs/dbraw/zinc/22/44/49/232224449.db2.gz NLYBUVIZNPKIOO-GFCCVEGCSA-N 2 1 264.504 2.355 20 0 CEADMP CSCC[NH+](C)CC[C@@H](C)[N@@H+](C)CCSC ZINC000153688010 232224451 /nfs/dbraw/zinc/22/44/51/232224451.db2.gz NLYBUVIZNPKIOO-GFCCVEGCSA-N 2 1 264.504 2.355 20 0 CEADMP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000594917032 345700775 /nfs/dbraw/zinc/70/07/75/345700775.db2.gz FYGDURINKYEODX-AEGPPILISA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000594917032 345700776 /nfs/dbraw/zinc/70/07/76/345700776.db2.gz FYGDURINKYEODX-AEGPPILISA-N 2 1 282.428 2.038 20 0 CEADMP COCCSCCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504383 345797375 /nfs/dbraw/zinc/79/73/75/345797375.db2.gz IDQKHSQDMVNGQS-HNNXBMFYSA-N 2 1 286.485 2.174 20 0 CEADMP COCCSCCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595504383 345797376 /nfs/dbraw/zinc/79/73/76/345797376.db2.gz IDQKHSQDMVNGQS-HNNXBMFYSA-N 2 1 286.485 2.174 20 0 CEADMP COCCSCCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504383 345797379 /nfs/dbraw/zinc/79/73/79/345797379.db2.gz IDQKHSQDMVNGQS-HNNXBMFYSA-N 2 1 286.485 2.174 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000595895168 345908418 /nfs/dbraw/zinc/90/84/18/345908418.db2.gz DMNGYERTAYOVTQ-NSHDSACASA-N 2 1 282.409 2.096 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000336786651 365806287 /nfs/dbraw/zinc/80/62/87/365806287.db2.gz CIEFMZVKHWMDSR-RBSFLKMASA-N 3 1 255.450 2.214 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)CN1CC(C)(C)C1 ZINC000568190511 299124086 /nfs/dbraw/zinc/12/40/86/299124086.db2.gz KDWXWTAMNNEVTK-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CN(CC[N@H+](C)C1CCCCC1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000568190511 299124089 /nfs/dbraw/zinc/12/40/89/299124089.db2.gz KDWXWTAMNNEVTK-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000568190511 299124091 /nfs/dbraw/zinc/12/40/91/299124091.db2.gz KDWXWTAMNNEVTK-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H](C(=O)OC(C)(C)C)C2CCC2)CC1 ZINC000596064587 345931536 /nfs/dbraw/zinc/93/15/36/345931536.db2.gz XEYZRSYDRYOUCJ-OAHLLOKOSA-N 2 1 296.455 2.428 20 0 CEADMP CO[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC[C@@H]1C ZINC000230312432 539523981 /nfs/dbraw/zinc/52/39/81/539523981.db2.gz MZVTVSJMXAVRAU-SUMWQHHRSA-N 2 1 274.408 2.189 20 0 CEADMP CSC1(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)CCC1 ZINC000597248468 346161551 /nfs/dbraw/zinc/16/15/51/346161551.db2.gz WXBRYBOUNWJUMH-CQSZACIVSA-N 2 1 286.485 2.315 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000519578758 313117107 /nfs/dbraw/zinc/11/71/07/313117107.db2.gz GHZHUEIEJKFIQF-BARDWOONSA-N 2 1 266.429 2.264 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000519578767 313117209 /nfs/dbraw/zinc/11/72/09/313117209.db2.gz GHZHUEIEJKFIQF-TUVASFSCSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1CCCC1 ZINC000128908938 365809380 /nfs/dbraw/zinc/80/93/80/365809380.db2.gz VUOWTESUAWAEES-INMHGKMJSA-N 2 1 279.472 2.322 20 0 CEADMP COCC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccco1 ZINC000273289843 192100676 /nfs/dbraw/zinc/10/06/76/192100676.db2.gz PJIJDIHGVBVVKC-CYBMUJFWSA-N 2 1 263.341 2.152 20 0 CEADMP CC(C)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351717738 219185084 /nfs/dbraw/zinc/18/50/84/219185084.db2.gz OWLOIVZBOMJGOK-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351717738 219185086 /nfs/dbraw/zinc/18/50/86/219185086.db2.gz OWLOIVZBOMJGOK-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351717738 219185089 /nfs/dbraw/zinc/18/50/89/219185089.db2.gz OWLOIVZBOMJGOK-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351717738 219185091 /nfs/dbraw/zinc/18/50/91/219185091.db2.gz OWLOIVZBOMJGOK-HOTGVXAUSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000062347726 362717356 /nfs/dbraw/zinc/71/73/56/362717356.db2.gz BQCFJGQTEFDAQS-HOCLYGCPSA-N 2 1 291.439 2.136 20 0 CEADMP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000459409640 290139922 /nfs/dbraw/zinc/13/99/22/290139922.db2.gz RHDLCFBRNDJMFL-MRXNPFEDSA-N 2 1 266.429 2.144 20 0 CEADMP COC(=O)C1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCCC1 ZINC000598967279 346439311 /nfs/dbraw/zinc/43/93/11/346439311.db2.gz CUXCLIPPNSZXQI-ZDUSSCGKSA-N 2 1 282.428 2.182 20 0 CEADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC ZINC000599043663 346450996 /nfs/dbraw/zinc/45/09/96/346450996.db2.gz HRRDQZGRRDFULU-CYBMUJFWSA-N 2 1 284.444 2.428 20 0 CEADMP C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)CC1CCOCC1 ZINC000336819080 365864566 /nfs/dbraw/zinc/86/45/66/365864566.db2.gz YDMQGTMMEKZFTO-JKSUJKDBSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1cc(C)n(CC[N@H+](C)CC[C@H]2CCCC[NH+]2C)n1 ZINC000336819766 365865767 /nfs/dbraw/zinc/86/57/67/365865767.db2.gz ALSXRYFZSZIKRL-MRXNPFEDSA-N 2 1 278.444 2.306 20 0 CEADMP Cc1cc(C)n(CC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)n1 ZINC000336819766 365865771 /nfs/dbraw/zinc/86/57/71/365865771.db2.gz ALSXRYFZSZIKRL-MRXNPFEDSA-N 2 1 278.444 2.306 20 0 CEADMP Cc1cc(C)n(CC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)n1 ZINC000336819766 365865775 /nfs/dbraw/zinc/86/57/75/365865775.db2.gz ALSXRYFZSZIKRL-MRXNPFEDSA-N 2 1 278.444 2.306 20 0 CEADMP Cc1cc(C)n(CC[NH+](C)CC[C@H]2CCCC[N@H+]2C)n1 ZINC000336819766 365865779 /nfs/dbraw/zinc/86/57/79/365865779.db2.gz ALSXRYFZSZIKRL-MRXNPFEDSA-N 2 1 278.444 2.306 20 0 CEADMP Cc1[nH+]ccn1CCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000336820975 365869894 /nfs/dbraw/zinc/86/98/94/365869894.db2.gz GBQZARVNJMWSAO-UHFFFAOYSA-N 2 1 276.428 2.142 20 0 CEADMP Cc1[nH+]ccn1CCN1CCC[N@H+](C2CCCC2)CC1 ZINC000336820975 365869898 /nfs/dbraw/zinc/86/98/98/365869898.db2.gz GBQZARVNJMWSAO-UHFFFAOYSA-N 2 1 276.428 2.142 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CC[C@@H]2CCC[NH+]2C)C1 ZINC000336821855 365872193 /nfs/dbraw/zinc/87/21/93/365872193.db2.gz JKIVRHCNIYUTKS-SJORKVTESA-N 2 1 279.472 2.134 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336821855 365872199 /nfs/dbraw/zinc/87/21/99/365872199.db2.gz JKIVRHCNIYUTKS-SJORKVTESA-N 2 1 279.472 2.134 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000336821855 365872207 /nfs/dbraw/zinc/87/22/07/365872207.db2.gz JKIVRHCNIYUTKS-SJORKVTESA-N 2 1 279.472 2.134 20 0 CEADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000602711834 347164834 /nfs/dbraw/zinc/16/48/34/347164834.db2.gz RKMTXXBLCOOWII-ZNMIVQPWSA-N 2 1 284.444 2.425 20 0 CEADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000602711834 347164837 /nfs/dbraw/zinc/16/48/37/347164837.db2.gz RKMTXXBLCOOWII-ZNMIVQPWSA-N 2 1 284.444 2.425 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCN(C#N)CC)CC1 ZINC000602765994 347189252 /nfs/dbraw/zinc/18/92/52/347189252.db2.gz NUKDQFCCWRNJBR-UHFFFAOYSA-N 2 1 280.460 2.233 20 0 CEADMP CC(C)CC[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128487162 187372949 /nfs/dbraw/zinc/37/29/49/187372949.db2.gz ZZYKBTPDPFRBBO-INIZCTEOSA-N 2 1 269.477 2.428 20 0 CEADMP Cc1cnn(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000336829679 365894037 /nfs/dbraw/zinc/89/40/37/365894037.db2.gz IOJNMHUWCBJVPU-MRXNPFEDSA-N 2 1 276.428 2.142 20 0 CEADMP Cc1cnn(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000336829679 365894038 /nfs/dbraw/zinc/89/40/38/365894038.db2.gz IOJNMHUWCBJVPU-MRXNPFEDSA-N 2 1 276.428 2.142 20 0 CEADMP CC1(C)CCC[N@H+]1CCNC1CC[NH+](C2CC2)CC1 ZINC000459559912 290179284 /nfs/dbraw/zinc/17/92/84/290179284.db2.gz JJAHMEBUFCFKHE-UHFFFAOYSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000273310428 192108104 /nfs/dbraw/zinc/10/81/04/192108104.db2.gz WKQNSTQTQQPNSC-LMSBXDPUSA-N 2 1 290.451 2.298 20 0 CEADMP CC[N@@H+](CCC(=O)OC)Cc1ccc(C[NH+](C)C)cc1 ZINC000611263740 347759794 /nfs/dbraw/zinc/75/97/94/347759794.db2.gz HRZJLKQHWNKWPE-UHFFFAOYSA-N 2 1 278.396 2.133 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H](C)c1nccs1)N1CC[NH+](C)CC1 ZINC000086510235 179304001 /nfs/dbraw/zinc/30/40/01/179304001.db2.gz SJGNLUAXDIXYMS-ZIAGYGMSSA-N 2 1 296.484 2.066 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000334145474 539585017 /nfs/dbraw/zinc/58/50/17/539585017.db2.gz LOFWCERKFOCAQM-QGZVFWFLSA-N 2 1 287.407 2.221 20 0 CEADMP CCOC1CC(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000351893336 219240195 /nfs/dbraw/zinc/24/01/95/219240195.db2.gz UWLDFTJSNAZTNS-LBDPXKHJSA-N 2 1 268.445 2.464 20 0 CEADMP CCOC1CC(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000351893336 219240197 /nfs/dbraw/zinc/24/01/97/219240197.db2.gz UWLDFTJSNAZTNS-LBDPXKHJSA-N 2 1 268.445 2.464 20 0 CEADMP CCOC1CC(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000351893336 219240198 /nfs/dbraw/zinc/24/01/98/219240198.db2.gz UWLDFTJSNAZTNS-LBDPXKHJSA-N 2 1 268.445 2.464 20 0 CEADMP Cc1ccc(CCC[N@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000339405566 215151000 /nfs/dbraw/zinc/15/10/00/215151000.db2.gz CCMORTASHAEVDL-MRXNPFEDSA-N 2 1 261.413 2.383 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H](Cc2ccccc2)C[NH+](C)C)CC[N@H+]1C ZINC000128834900 187393000 /nfs/dbraw/zinc/39/30/00/187393000.db2.gz JIDQMWCCGXOLMF-NXHRZFHOSA-N 2 1 289.467 2.232 20 0 CEADMP CN(C)[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128874123 187395777 /nfs/dbraw/zinc/39/57/77/187395777.db2.gz SOXSLFVRXJBFQV-HOTGVXAUSA-N 2 1 261.413 2.021 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCCC[C@@H]23)CC1(C)C ZINC000623358453 349998554 /nfs/dbraw/zinc/99/85/54/349998554.db2.gz AWLFKVTUUOWLSQ-ZNMIVQPWSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1(C)C ZINC000623358453 349998555 /nfs/dbraw/zinc/99/85/55/349998555.db2.gz AWLFKVTUUOWLSQ-ZNMIVQPWSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1(C)C ZINC000623358453 349998557 /nfs/dbraw/zinc/99/85/57/349998557.db2.gz AWLFKVTUUOWLSQ-ZNMIVQPWSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623351274 349995823 /nfs/dbraw/zinc/99/58/23/349995823.db2.gz JWEGRILHDFHXHS-UHFFFAOYSA-N 2 1 260.385 2.383 20 0 CEADMP Cc1csc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623355687 349997025 /nfs/dbraw/zinc/99/70/25/349997025.db2.gz SMRLACCPJFFRNW-GFCCVEGCSA-N 2 1 267.442 2.456 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCOCC(F)(F)F)CC1(C)C ZINC000623355613 349997056 /nfs/dbraw/zinc/99/70/56/349997056.db2.gz PNBJJWSFVGBQAG-LLVKDONJSA-N 2 1 282.350 2.418 20 0 CEADMP Cc1[nH]ncc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339500185 215211801 /nfs/dbraw/zinc/21/18/01/215211801.db2.gz NWJHKTHDVKAXTF-UHFFFAOYSA-N 2 1 250.390 2.074 20 0 CEADMP CCCC[C@H](COC)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339077058 539658469 /nfs/dbraw/zinc/65/84/69/539658469.db2.gz YVUTXZYTEDZUFF-ZNMIVQPWSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)nc(C)[nH+]1 ZINC000249133660 539656303 /nfs/dbraw/zinc/65/63/03/539656303.db2.gz TZKYDKOKKXPZQW-UONOGXRCSA-N 2 1 260.385 2.014 20 0 CEADMP Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)nc(C)[nH+]1 ZINC000249133660 539656308 /nfs/dbraw/zinc/65/63/08/539656308.db2.gz TZKYDKOKKXPZQW-UONOGXRCSA-N 2 1 260.385 2.014 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339074420 539657676 /nfs/dbraw/zinc/65/76/76/539657676.db2.gz LDQTWQOCAOQNJK-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339074420 539657680 /nfs/dbraw/zinc/65/76/80/539657680.db2.gz LDQTWQOCAOQNJK-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339074420 539657684 /nfs/dbraw/zinc/65/76/84/539657684.db2.gz LDQTWQOCAOQNJK-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339065940 539659586 /nfs/dbraw/zinc/65/95/86/539659586.db2.gz FRKIXRIOMIMHIF-HRCADAONSA-N 2 1 265.445 2.077 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339065940 539659590 /nfs/dbraw/zinc/65/95/90/539659590.db2.gz FRKIXRIOMIMHIF-HRCADAONSA-N 2 1 265.445 2.077 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339065940 539659594 /nfs/dbraw/zinc/65/95/94/539659594.db2.gz FRKIXRIOMIMHIF-HRCADAONSA-N 2 1 265.445 2.077 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339065940 539659600 /nfs/dbraw/zinc/65/96/00/539659600.db2.gz FRKIXRIOMIMHIF-HRCADAONSA-N 2 1 265.445 2.077 20 0 CEADMP CC(C)C[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506856 348718233 /nfs/dbraw/zinc/71/82/33/348718233.db2.gz AHUFXVCFHBMMMX-GJZGRUSLSA-N 2 1 285.476 2.057 20 0 CEADMP CC(C)C[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506856 348718236 /nfs/dbraw/zinc/71/82/36/348718236.db2.gz AHUFXVCFHBMMMX-GJZGRUSLSA-N 2 1 285.476 2.057 20 0 CEADMP CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507065 348718466 /nfs/dbraw/zinc/71/84/66/348718466.db2.gz GZRGWMNQUYMPOW-UXLLHSPISA-N 2 1 297.487 2.057 20 0 CEADMP CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507065 348718468 /nfs/dbraw/zinc/71/84/68/348718468.db2.gz GZRGWMNQUYMPOW-UXLLHSPISA-N 2 1 297.487 2.057 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1C=CCCC1 ZINC000617507277 348718748 /nfs/dbraw/zinc/71/87/48/348718748.db2.gz PGJGDAXYEPWQMS-JKSUJKDBSA-N 2 1 295.471 2.121 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1C=CCCC1 ZINC000617507277 348718750 /nfs/dbraw/zinc/71/87/50/348718750.db2.gz PGJGDAXYEPWQMS-JKSUJKDBSA-N 2 1 295.471 2.121 20 0 CEADMP c1ccc2c(c1)CC[N@@H+](CCN[C@H]1CC[NH+]3CCC[C@H]3C1)C2 ZINC000339066468 539660233 /nfs/dbraw/zinc/66/02/33/539660233.db2.gz DFGFCGFKLAMDNY-OALUTQOASA-N 2 1 299.462 2.261 20 0 CEADMP c1ccc2c(c1)CC[N@H+](CCN[C@H]1CC[NH+]3CCC[C@H]3C1)C2 ZINC000339066468 539660236 /nfs/dbraw/zinc/66/02/36/539660236.db2.gz DFGFCGFKLAMDNY-OALUTQOASA-N 2 1 299.462 2.261 20 0 CEADMP c1ccc2c(c1)CC[NH+](CCN[C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000339066468 539660239 /nfs/dbraw/zinc/66/02/39/539660239.db2.gz DFGFCGFKLAMDNY-OALUTQOASA-N 2 1 299.462 2.261 20 0 CEADMP c1ccc2c(c1)CC[NH+](CCN[C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000339066468 539660242 /nfs/dbraw/zinc/66/02/42/539660242.db2.gz DFGFCGFKLAMDNY-OALUTQOASA-N 2 1 299.462 2.261 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617346224 348684040 /nfs/dbraw/zinc/68/40/40/348684040.db2.gz PXYGZPNJKCHRMB-CHWSQXEVSA-N 2 1 283.460 2.142 20 0 CEADMP C[C@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCCCCC1 ZINC000617349740 348686479 /nfs/dbraw/zinc/68/64/79/348686479.db2.gz VZZGRIRQPWYICZ-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000339253444 539676640 /nfs/dbraw/zinc/67/66/40/539676640.db2.gz IBCCELDQBAOIED-HZPDHXFCSA-N 2 1 297.487 2.343 20 0 CEADMP COc1ccccc1C[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000088194955 539668636 /nfs/dbraw/zinc/66/86/36/539668636.db2.gz KJIXZPGROWGYJJ-UONOGXRCSA-N 2 1 262.397 2.168 20 0 CEADMP CCn1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C(C)C)cn1 ZINC000234205014 539693667 /nfs/dbraw/zinc/69/36/67/539693667.db2.gz ASTZJHUSCXRBJB-AWEZNQCLSA-N 2 1 264.417 2.113 20 0 CEADMP CCn1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C(C)C)cn1 ZINC000234205014 539693669 /nfs/dbraw/zinc/69/36/69/539693669.db2.gz ASTZJHUSCXRBJB-AWEZNQCLSA-N 2 1 264.417 2.113 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000358253471 539696189 /nfs/dbraw/zinc/69/61/89/539696189.db2.gz PGYYPWLWXPACQJ-XJKCOSOUSA-N 2 1 288.439 2.215 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000568856525 299159768 /nfs/dbraw/zinc/15/97/68/299159768.db2.gz QTULOCYRTRPHMZ-MOENNCHZSA-N 2 1 282.350 2.330 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCn2cnc3ccccc32)CC1(C)C ZINC000623379164 350004328 /nfs/dbraw/zinc/00/43/28/350004328.db2.gz AKWFEHGHVYMZIF-CQSZACIVSA-N 2 1 286.423 2.499 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623383870 350005332 /nfs/dbraw/zinc/00/53/32/350005332.db2.gz DVYGHSCCYDYNOZ-LSDHHAIUSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CC[C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623383870 350005336 /nfs/dbraw/zinc/00/53/36/350005336.db2.gz DVYGHSCCYDYNOZ-LSDHHAIUSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CC[C@@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623383870 350005339 /nfs/dbraw/zinc/00/53/39/350005339.db2.gz DVYGHSCCYDYNOZ-LSDHHAIUSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623383870 350005343 /nfs/dbraw/zinc/00/53/43/350005343.db2.gz DVYGHSCCYDYNOZ-LSDHHAIUSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623383870 350005347 /nfs/dbraw/zinc/00/53/47/350005347.db2.gz DVYGHSCCYDYNOZ-LSDHHAIUSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CC[C@@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623383870 350005350 /nfs/dbraw/zinc/00/53/50/350005350.db2.gz DVYGHSCCYDYNOZ-LSDHHAIUSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623383870 350005353 /nfs/dbraw/zinc/00/53/53/350005353.db2.gz DVYGHSCCYDYNOZ-LSDHHAIUSA-N 3 1 267.461 2.179 20 0 CEADMP Cc1nccn1C[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623402322 350009980 /nfs/dbraw/zinc/00/99/80/350009980.db2.gz GJNIVIYIMGRMLL-DZGCQCFKSA-N 2 1 278.444 2.290 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623402322 350009984 /nfs/dbraw/zinc/00/99/84/350009984.db2.gz GJNIVIYIMGRMLL-DZGCQCFKSA-N 3 1 278.444 2.290 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623402322 350009987 /nfs/dbraw/zinc/00/99/87/350009987.db2.gz GJNIVIYIMGRMLL-DZGCQCFKSA-N 3 1 278.444 2.290 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc3n[nH]cc32)CC[N@H+]1C ZINC000623430863 350018619 /nfs/dbraw/zinc/01/86/19/350018619.db2.gz JNNNMQQOSLFOHT-AAEUAGOBSA-N 2 1 258.369 2.135 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@H](O)Cc1ccccc1 ZINC000623469960 350028267 /nfs/dbraw/zinc/02/82/67/350028267.db2.gz YARKURNCTDDBQS-USXIJHARSA-N 2 1 290.451 2.441 20 0 CEADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623504341 350036784 /nfs/dbraw/zinc/03/67/84/350036784.db2.gz KGPREZIEUOYGSC-IAGOWNOFSA-N 2 1 290.451 2.361 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)CC1(C)C ZINC000623535372 350043586 /nfs/dbraw/zinc/04/35/86/350043586.db2.gz XNDVLTXAEPPAMO-CVEARBPZSA-N 2 1 294.414 2.192 20 0 CEADMP C[N@H+]1CC[C@H](NCC[NH+]2CCCC2(C)C)CC1(C)C ZINC000623544132 350045785 /nfs/dbraw/zinc/04/57/85/350045785.db2.gz OJRCLVNGKBQQBG-AWEZNQCLSA-N 2 1 267.461 2.323 20 0 CEADMP C[NH+]1CC[C@H](NCC[N@@H+]2CCCC2(C)C)CC1(C)C ZINC000623544132 350045787 /nfs/dbraw/zinc/04/57/87/350045787.db2.gz OJRCLVNGKBQQBG-AWEZNQCLSA-N 2 1 267.461 2.323 20 0 CEADMP C[NH+]1CC[C@H](NCC[N@H+]2CCCC2(C)C)CC1(C)C ZINC000623544132 350045788 /nfs/dbraw/zinc/04/57/88/350045788.db2.gz OJRCLVNGKBQQBG-AWEZNQCLSA-N 2 1 267.461 2.323 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[NH+](C)C(C)(C)C1)C1CC1 ZINC000623545079 350046584 /nfs/dbraw/zinc/04/65/84/350046584.db2.gz ZWNOKSUKKAEYIN-CQSZACIVSA-N 2 1 267.461 2.323 20 0 CEADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623545079 350046586 /nfs/dbraw/zinc/04/65/86/350046586.db2.gz ZWNOKSUKKAEYIN-CQSZACIVSA-N 3 1 267.461 2.323 20 0 CEADMP C[NH+](CCCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623545079 350046589 /nfs/dbraw/zinc/04/65/89/350046589.db2.gz ZWNOKSUKKAEYIN-CQSZACIVSA-N 3 1 267.461 2.323 20 0 CEADMP CN1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CC1(C)C ZINC000623545079 350046590 /nfs/dbraw/zinc/04/65/90/350046590.db2.gz ZWNOKSUKKAEYIN-CQSZACIVSA-N 2 1 267.461 2.323 20 0 CEADMP CN1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)CC1(C)C ZINC000623545079 350046592 /nfs/dbraw/zinc/04/65/92/350046592.db2.gz ZWNOKSUKKAEYIN-CQSZACIVSA-N 2 1 267.461 2.323 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623547409 350047862 /nfs/dbraw/zinc/04/78/62/350047862.db2.gz OORNMDQIILGLFQ-CYBMUJFWSA-N 2 1 272.396 2.384 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000623748659 350100824 /nfs/dbraw/zinc/10/08/24/350100824.db2.gz BRJDYYYCEGYKDY-DDBAPUKQSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000623748659 350100829 /nfs/dbraw/zinc/10/08/29/350100829.db2.gz BRJDYYYCEGYKDY-DDBAPUKQSA-N 2 1 288.435 2.400 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2CCCC[NH+](C)C2)[C@@H](C)C1 ZINC000624120600 350198775 /nfs/dbraw/zinc/19/87/75/350198775.db2.gz CEFGODQWXONWJJ-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCCC[N@H+](C)C2)[C@@H](C)C1 ZINC000624120600 350198777 /nfs/dbraw/zinc/19/87/77/350198777.db2.gz CEFGODQWXONWJJ-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CCCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000624120600 350198782 /nfs/dbraw/zinc/19/87/82/350198782.db2.gz CEFGODQWXONWJJ-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)[C@@H](C)C1 ZINC000624120600 350198785 /nfs/dbraw/zinc/19/87/85/350198785.db2.gz CEFGODQWXONWJJ-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)[C@@H](C)C1 ZINC000624120600 350198789 /nfs/dbraw/zinc/19/87/89/350198789.db2.gz CEFGODQWXONWJJ-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)[C@@H](C)C1 ZINC000624120600 350198792 /nfs/dbraw/zinc/19/87/92/350198792.db2.gz CEFGODQWXONWJJ-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000624120600 350198795 /nfs/dbraw/zinc/19/87/95/350198795.db2.gz CEFGODQWXONWJJ-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666121 180222112 /nfs/dbraw/zinc/22/21/12/180222112.db2.gz BCWCDAYGSWCXIX-NXHRZFHOSA-N 2 1 288.435 2.461 20 0 CEADMP C[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666121 180222113 /nfs/dbraw/zinc/22/21/13/180222113.db2.gz BCWCDAYGSWCXIX-NXHRZFHOSA-N 2 1 288.435 2.461 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000352090480 219316867 /nfs/dbraw/zinc/31/68/67/219316867.db2.gz ATAZVJQZTGHHSB-LLVKDONJSA-N 2 1 297.353 2.079 20 0 CEADMP COC[C@H](C)C[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000568956224 299168204 /nfs/dbraw/zinc/16/82/04/299168204.db2.gz YERXZYHQNHYNOR-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000092253595 180353445 /nfs/dbraw/zinc/35/34/45/180353445.db2.gz IXGFHOAHAVBFIO-INIZCTEOSA-N 2 1 289.423 2.419 20 0 CEADMP CC(=O)Nc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000092253595 180353447 /nfs/dbraw/zinc/35/34/47/180353447.db2.gz IXGFHOAHAVBFIO-INIZCTEOSA-N 2 1 289.423 2.419 20 0 CEADMP CC(=O)Nc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000092253595 180353449 /nfs/dbraw/zinc/35/34/49/180353449.db2.gz IXGFHOAHAVBFIO-INIZCTEOSA-N 2 1 289.423 2.419 20 0 CEADMP CCO[C@@H](C[N@H+]1CC[C@H](C[NH+](C)CC)C1)C1CC1 ZINC000625214267 350430159 /nfs/dbraw/zinc/43/01/59/350430159.db2.gz HUCXGLNKIXRLFS-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP CCn1ccnc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000106383611 186111987 /nfs/dbraw/zinc/11/19/87/186111987.db2.gz GVPJMHVAUYHLAC-UHFFFAOYSA-N 2 1 264.417 2.067 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCc2ccncc2)CC1 ZINC000111240687 186374209 /nfs/dbraw/zinc/37/42/09/186374209.db2.gz IOMLXYRIKYGYCM-UHFFFAOYSA-N 2 1 261.413 2.430 20 0 CEADMP CC(C)OCCC[N@H+]1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337080291 366010669 /nfs/dbraw/zinc/01/06/69/366010669.db2.gz VFGVLNCQFFCVFJ-DLBZAZTESA-N 2 1 276.424 2.476 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000628214223 351008129 /nfs/dbraw/zinc/00/81/29/351008129.db2.gz OTJPWGNIEQGELH-INIZCTEOSA-N 2 1 299.528 2.135 20 0 CEADMP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[NH+](CC)CC ZINC000628966131 351228392 /nfs/dbraw/zinc/22/83/92/351228392.db2.gz ULOJEAKFKGHKAE-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCO[C@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)C1CC1 ZINC000629509227 351381705 /nfs/dbraw/zinc/38/17/05/351381705.db2.gz JUVMDCIZFFUTDW-OAHLLOKOSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000629387842 351346021 /nfs/dbraw/zinc/34/60/21/351346021.db2.gz GGOFZFTWNDGWHR-DZJNRPSUSA-N 2 1 287.451 2.237 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2coc3ccccc23)CCOCC1 ZINC000629388079 351346034 /nfs/dbraw/zinc/34/60/34/351346034.db2.gz MLTWJVKZOIANMQ-UHFFFAOYSA-N 2 1 260.337 2.030 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1OC ZINC000629394889 351349587 /nfs/dbraw/zinc/34/95/87/351349587.db2.gz NIPHXDXQATYOBB-KCQAQPDRSA-N 2 1 292.423 2.365 20 0 CEADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000629407634 351354636 /nfs/dbraw/zinc/35/46/36/351354636.db2.gz GFEOCRQCHXDUPI-QCZZGDTMSA-N 2 1 250.773 2.147 20 0 CEADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629408431 351355048 /nfs/dbraw/zinc/35/50/48/351355048.db2.gz VETFWYRVYNGZSW-APHBMKBZSA-N 2 1 280.387 2.113 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCOc3ccccc32)C[NH2+]1 ZINC000629418411 351357295 /nfs/dbraw/zinc/35/72/95/351357295.db2.gz XYNGWUZAVWZDCO-MCIONIFRSA-N 2 1 260.381 2.283 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C12CCC2 ZINC000629542908 351404343 /nfs/dbraw/zinc/40/43/43/351404343.db2.gz OWODWXHBEDNLKG-XDQVBPFNSA-N 2 1 252.402 2.064 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccccc1)CC1=CCCOC1 ZINC000629652358 351449201 /nfs/dbraw/zinc/44/92/01/351449201.db2.gz AZVHGUZLWVQEJF-UHFFFAOYSA-N 2 1 260.381 2.184 20 0 CEADMP Cn1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000629655934 351452786 /nfs/dbraw/zinc/45/27/86/351452786.db2.gz YICYVNZKZOCHIC-HZPDHXFCSA-N 2 1 261.413 2.237 20 0 CEADMP CC1(C)CCC(C)(C)[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000629548248 351407371 /nfs/dbraw/zinc/40/73/71/351407371.db2.gz YGMBZHSEJIWKOI-CYBMUJFWSA-N 2 1 266.429 2.408 20 0 CEADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1OC ZINC000629553239 351410797 /nfs/dbraw/zinc/41/07/97/351410797.db2.gz QXDLGSNSOWGSIC-OUCADQQQSA-N 2 1 278.396 2.147 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000629556200 351412075 /nfs/dbraw/zinc/41/20/75/351412075.db2.gz NMGHCELXOVVGAE-YCPHGPKFSA-N 2 1 293.455 2.040 20 0 CEADMP Nc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629563803 351416369 /nfs/dbraw/zinc/41/63/69/351416369.db2.gz RCKLHSZJAOLFGW-WCQYABFASA-N 2 1 287.329 2.228 20 0 CEADMP Nc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629563803 351416371 /nfs/dbraw/zinc/41/63/71/351416371.db2.gz RCKLHSZJAOLFGW-WCQYABFASA-N 2 1 287.329 2.228 20 0 CEADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629566009 351417191 /nfs/dbraw/zinc/41/71/91/351417191.db2.gz XMYFBUMPCPNPRF-DBIOUOCHSA-N 2 1 250.308 2.102 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@H]1CCc2c1cccc2Cl ZINC000629572455 351419443 /nfs/dbraw/zinc/41/94/43/351419443.db2.gz TXUXCPNTVRDSGT-HNNXBMFYSA-N 2 1 282.815 2.495 20 0 CEADMP CCOCC[N@@H+](CCC[NH3+])[C@H]1CCc2ccccc21 ZINC000629575850 351419522 /nfs/dbraw/zinc/41/95/22/351419522.db2.gz QBZBDRMMGGQRSY-INIZCTEOSA-N 2 1 262.397 2.361 20 0 CEADMP COc1ccc(OCC[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000070174751 363048768 /nfs/dbraw/zinc/04/87/68/363048768.db2.gz GOAISKBDONRDSE-KBPBESRZSA-N 2 1 278.396 2.133 20 0 CEADMP CC[NH+]1CCC(N(C)Cc2cc(OC)cc(C)[nH+]2)CC1 ZINC000339819868 215350327 /nfs/dbraw/zinc/35/03/27/215350327.db2.gz MSIPYSKRNNWCLM-UHFFFAOYSA-N 2 1 277.412 2.315 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1CCO[C@H](C)C1)[NH+]1CCCC1 ZINC000070347398 363074793 /nfs/dbraw/zinc/07/47/93/363074793.db2.gz NAOWORWKBCEWIY-KFWWJZLASA-N 2 1 254.418 2.264 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccns2)C1 ZINC000630075843 351605315 /nfs/dbraw/zinc/60/53/15/351605315.db2.gz HDDVTVAZIQMINR-MRVWCRGKSA-N 2 1 281.425 2.004 20 0 CEADMP C[C@@H]1C[C@@H](NCc2ccc(OCC3CC3)nc2)CC[N@H+]1C ZINC000131272449 366037137 /nfs/dbraw/zinc/03/71/37/366037137.db2.gz BJLJRRHONAVPGU-CJNGLKHVSA-N 2 1 289.423 2.443 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CCN1C ZINC000131272449 366037146 /nfs/dbraw/zinc/03/71/46/366037146.db2.gz BJLJRRHONAVPGU-CJNGLKHVSA-N 2 1 289.423 2.443 20 0 CEADMP C[N@@H+](CCn1ccnc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000131565606 366066117 /nfs/dbraw/zinc/06/61/17/366066117.db2.gz SFSKCOMUSCKZFB-GOSISDBHSA-N 2 1 298.434 2.480 20 0 CEADMP C[C@H](CN[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000291710637 198066510 /nfs/dbraw/zinc/06/65/10/198066510.db2.gz LFQUPZXMCLOSAV-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](C[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C[NH+](C)C ZINC000291710637 198066511 /nfs/dbraw/zinc/06/65/11/198066511.db2.gz LFQUPZXMCLOSAV-NUJGCVRESA-N 2 1 289.467 2.437 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000630736968 351837465 /nfs/dbraw/zinc/83/74/65/351837465.db2.gz DFRPTTXSMXIRAM-XUWVNRHRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000630736968 351837468 /nfs/dbraw/zinc/83/74/68/351837468.db2.gz DFRPTTXSMXIRAM-XUWVNRHRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000630736968 351837471 /nfs/dbraw/zinc/83/74/71/351837471.db2.gz DFRPTTXSMXIRAM-XUWVNRHRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH+](CC)CC)CC[N@H+]1C ZINC000630795608 351853157 /nfs/dbraw/zinc/85/31/57/351853157.db2.gz ZSISPEZQDOKEMF-HRCADAONSA-N 2 1 297.487 2.343 20 0 CEADMP CC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000291777071 198088935 /nfs/dbraw/zinc/08/89/35/198088935.db2.gz UMBLPJZWWQTQGH-PVAVHDDUSA-N 2 1 276.424 2.400 20 0 CEADMP CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000291777071 198088936 /nfs/dbraw/zinc/08/89/36/198088936.db2.gz UMBLPJZWWQTQGH-PVAVHDDUSA-N 2 1 276.424 2.400 20 0 CEADMP COc1ccc([C@H](CN(C)C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000569120411 299182674 /nfs/dbraw/zinc/18/26/74/299182674.db2.gz GHRLMPMPXKKWDL-VYDXJSESSA-N 2 1 291.439 2.157 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)nc2)CC[N@H+]1C ZINC000122684463 187045855 /nfs/dbraw/zinc/04/58/55/187045855.db2.gz KPDPXPYZMHPOEC-AAEUAGOBSA-N 2 1 267.804 2.350 20 0 CEADMP CCCCOCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000123356934 187086587 /nfs/dbraw/zinc/08/65/87/187086587.db2.gz MACQVOZABVNEQO-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccccc2)CC[N@@H+]1C ZINC000123363759 187087365 /nfs/dbraw/zinc/08/73/65/187087365.db2.gz OOCQOSAJLNVWCA-GJZGRUSLSA-N 2 1 262.397 2.480 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccccc2)CC[N@H+]1C ZINC000123363759 187087366 /nfs/dbraw/zinc/08/73/66/187087366.db2.gz OOCQOSAJLNVWCA-GJZGRUSLSA-N 2 1 262.397 2.480 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCOc2ccccc2)CC[NH+]1C ZINC000123363759 187087367 /nfs/dbraw/zinc/08/73/67/187087367.db2.gz OOCQOSAJLNVWCA-GJZGRUSLSA-N 2 1 262.397 2.480 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2)CC[NH+]1C ZINC000123363759 187087368 /nfs/dbraw/zinc/08/73/68/187087368.db2.gz OOCQOSAJLNVWCA-GJZGRUSLSA-N 2 1 262.397 2.480 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC2OCCO2)C1 ZINC000124307574 187131399 /nfs/dbraw/zinc/13/13/99/187131399.db2.gz YEXZKOROLXFGCF-JKSUJKDBSA-N 2 1 296.455 2.336 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC2OCCO2)C1 ZINC000124307574 187131400 /nfs/dbraw/zinc/13/14/00/187131400.db2.gz YEXZKOROLXFGCF-JKSUJKDBSA-N 2 1 296.455 2.336 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC2OCCO2)C1 ZINC000124307574 187131401 /nfs/dbraw/zinc/13/14/01/187131401.db2.gz YEXZKOROLXFGCF-JKSUJKDBSA-N 2 1 296.455 2.336 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn[nH]c1 ZINC000631195317 352010555 /nfs/dbraw/zinc/01/05/55/352010555.db2.gz VTRALRXWUGSQNR-YOEHRIQHSA-N 2 1 284.407 2.267 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000292065479 198149417 /nfs/dbraw/zinc/14/94/17/198149417.db2.gz KMSMRSXOLUNHNX-GOEBONIOSA-N 2 1 291.439 2.313 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292084937 198157359 /nfs/dbraw/zinc/15/73/59/198157359.db2.gz GBWWFBSHBNDTHG-RHSMWYFYSA-N 2 1 287.407 2.041 20 0 CEADMP C[C@H]1COCC[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000302164328 290970531 /nfs/dbraw/zinc/97/05/31/290970531.db2.gz NKXQJTRCJFPCEX-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP Oc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250063540 539963799 /nfs/dbraw/zinc/96/37/99/539963799.db2.gz VEXXPPBUNGGMCR-GDBMZVCRSA-N 2 1 260.381 2.356 20 0 CEADMP Oc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250063540 539963802 /nfs/dbraw/zinc/96/38/02/539963802.db2.gz VEXXPPBUNGGMCR-GDBMZVCRSA-N 2 1 260.381 2.356 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152433446 188018224 /nfs/dbraw/zinc/01/82/24/188018224.db2.gz WOPBYIGNRAALAA-SJORKVTESA-N 2 1 288.435 2.318 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCN2CCc3ccccc32)CC[N@@H+]1C ZINC000292342195 198252417 /nfs/dbraw/zinc/25/24/17/198252417.db2.gz CZTJWKOSWHRZOS-WBVHZDCISA-N 2 1 287.451 2.464 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCN2CCc3ccccc32)CC[N@H+]1C ZINC000292342195 198252418 /nfs/dbraw/zinc/25/24/18/198252418.db2.gz CZTJWKOSWHRZOS-WBVHZDCISA-N 2 1 287.451 2.464 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCN2CCc3ccccc32)CC[NH+]1C ZINC000292342195 198252420 /nfs/dbraw/zinc/25/24/20/198252420.db2.gz CZTJWKOSWHRZOS-WBVHZDCISA-N 2 1 287.451 2.464 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCN2CCc3ccccc32)CC[NH+]1C ZINC000292342195 198252422 /nfs/dbraw/zinc/25/24/22/198252422.db2.gz CZTJWKOSWHRZOS-WBVHZDCISA-N 2 1 287.451 2.464 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000153782045 188103498 /nfs/dbraw/zinc/10/34/98/188103498.db2.gz MPYNOGFWRLJAFK-AWEZNQCLSA-N 2 1 280.412 2.314 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)CC[C@H]1[NH3+] ZINC000251712663 539989730 /nfs/dbraw/zinc/98/97/30/539989730.db2.gz JPVGLGYNMWAHPZ-ZIAGYGMSSA-N 2 1 276.380 2.017 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)CC[C@H]1[NH3+] ZINC000251712663 539989732 /nfs/dbraw/zinc/98/97/32/539989732.db2.gz JPVGLGYNMWAHPZ-ZIAGYGMSSA-N 2 1 276.380 2.017 20 0 CEADMP CC[C@H](C)[N@H+](CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000251850258 539992935 /nfs/dbraw/zinc/99/29/35/539992935.db2.gz MWWHBYDJUINSLX-BPUTZDHNSA-N 2 1 264.413 2.038 20 0 CEADMP CC[C@H](C)[N@@H+](CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000251850258 539992938 /nfs/dbraw/zinc/99/29/38/539992938.db2.gz MWWHBYDJUINSLX-BPUTZDHNSA-N 2 1 264.413 2.038 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000252834095 540008784 /nfs/dbraw/zinc/00/87/84/540008784.db2.gz QGNMZOOZVLEEJH-MELADBBJSA-N 2 1 260.381 2.222 20 0 CEADMP C[N@@H+](C/C=C\c1ccncc1)CC1CC[NH+](C)CC1 ZINC000494977582 291009183 /nfs/dbraw/zinc/00/91/83/291009183.db2.gz OQOXWKDQRRZMJG-ARJAWSKDSA-N 2 1 259.397 2.368 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)c2ccccc21 ZINC000132209540 366126930 /nfs/dbraw/zinc/12/69/30/366126930.db2.gz XYYAHSHWUDZGNZ-HUUCEWRRSA-N 2 1 260.381 2.274 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000569738157 299215706 /nfs/dbraw/zinc/21/57/06/299215706.db2.gz ASMWNFYHKJDIOB-GDBMZVCRSA-N 2 1 292.423 2.145 20 0 CEADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000132555888 366152233 /nfs/dbraw/zinc/15/22/33/366152233.db2.gz RPVXPXQVKDKTNC-CABCVRRESA-N 2 1 293.411 2.293 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000569738157 299215710 /nfs/dbraw/zinc/21/57/10/299215710.db2.gz ASMWNFYHKJDIOB-GDBMZVCRSA-N 2 1 292.423 2.145 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCc3sccc3C2)CC[N@H+]1C ZINC000132832060 366172699 /nfs/dbraw/zinc/17/26/99/366172699.db2.gz JSMJMJABJUAFHN-HIFRSBDPSA-N 2 1 293.480 2.179 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000569738160 299215911 /nfs/dbraw/zinc/21/59/11/299215911.db2.gz ASMWNFYHKJDIOB-ZBFHGGJFSA-N 2 1 292.423 2.145 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000569738160 299215914 /nfs/dbraw/zinc/21/59/14/299215914.db2.gz ASMWNFYHKJDIOB-ZBFHGGJFSA-N 2 1 292.423 2.145 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C2Cc3ccccc3C2)[C@H](C)C1 ZINC000133018791 366189506 /nfs/dbraw/zinc/18/95/06/366189506.db2.gz DPCHQGIQQQJUOB-CXAGYDPISA-N 2 1 258.409 2.474 20 0 CEADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335562824 283024584 /nfs/dbraw/zinc/02/45/84/283024584.db2.gz XDAGLCNQRGOSEW-BXUZGUMPSA-N 2 1 264.344 2.381 20 0 CEADMP CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000075022944 363434996 /nfs/dbraw/zinc/43/49/96/363434996.db2.gz UGQZPRBMMJPJJT-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1 ZINC000356814271 283064354 /nfs/dbraw/zinc/06/43/54/283064354.db2.gz QLTXDBHHYHFAKU-HUUCEWRRSA-N 2 1 297.487 2.343 20 0 CEADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000401091175 540076040 /nfs/dbraw/zinc/07/60/40/540076040.db2.gz VQKRGCDKOIFVBY-JKSUJKDBSA-N 2 1 273.424 2.457 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451696580 283076130 /nfs/dbraw/zinc/07/61/30/283076130.db2.gz GOUSHFCIEFOCQY-BRWVUGGUSA-N 2 1 291.439 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451696580 283076132 /nfs/dbraw/zinc/07/61/32/283076132.db2.gz GOUSHFCIEFOCQY-BRWVUGGUSA-N 2 1 291.439 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451696580 283076134 /nfs/dbraw/zinc/07/61/34/283076134.db2.gz GOUSHFCIEFOCQY-BRWVUGGUSA-N 2 1 291.439 2.455 20 0 CEADMP Cc1cc2ncc([C@H](C)[NH2+]CC3=CC[N@@H+](C)CC3)c(C)n2n1 ZINC000271889392 191392510 /nfs/dbraw/zinc/39/25/10/191392510.db2.gz RROWZAWIEMFDQR-ZDUSSCGKSA-N 2 1 299.422 2.259 20 0 CEADMP CC[C@H]1C[N@@H+](CCOCc2ccccc2)CC[C@@H]1[NH3+] ZINC000381077243 540138423 /nfs/dbraw/zinc/13/84/23/540138423.db2.gz ROXLNAWXUIUELD-HOTGVXAUSA-N 2 1 262.397 2.262 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229091595 540176055 /nfs/dbraw/zinc/17/60/55/540176055.db2.gz FJCAQZLHTKFXKQ-KBPBESRZSA-N 2 1 270.417 2.027 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@H]2CCC[C@H]21 ZINC000367596971 283135016 /nfs/dbraw/zinc/13/50/16/283135016.db2.gz KVNUZCZVEGPPAJ-FGTMMUONSA-N 3 1 291.483 2.323 20 0 CEADMP CN1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@H]2CCC[C@H]21 ZINC000367596971 283135017 /nfs/dbraw/zinc/13/50/17/283135017.db2.gz KVNUZCZVEGPPAJ-FGTMMUONSA-N 2 1 291.483 2.323 20 0 CEADMP CN(CCC[N@@H+](C)Cc1ccc(Cl)o1)CC[NH+](C)C ZINC000577146407 314345777 /nfs/dbraw/zinc/34/57/77/314345777.db2.gz AKQKDPKLENXCRT-UHFFFAOYSA-N 2 1 287.835 2.248 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000385277890 540227565 /nfs/dbraw/zinc/22/75/65/540227565.db2.gz JCLABCRSPZEODM-KBXIAJHMSA-N 2 1 256.434 2.102 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000273601018 192224599 /nfs/dbraw/zinc/22/45/99/192224599.db2.gz LZGKFHNSUMXKTR-CQSZACIVSA-N 2 1 275.396 2.339 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCC[C@@H](C)C1 ZINC000452062140 283174096 /nfs/dbraw/zinc/17/40/96/283174096.db2.gz RMKHMWAPUJDWTI-HOSILWTGSA-N 2 1 268.445 2.246 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCC[C@@H](C)C1 ZINC000452062140 283174100 /nfs/dbraw/zinc/17/41/00/283174100.db2.gz RMKHMWAPUJDWTI-HOSILWTGSA-N 2 1 268.445 2.246 20 0 CEADMP CCC[N@H+](CCC[NH3+])[C@@H](C)C(=O)Nc1ccccc1C ZINC000414747758 540245762 /nfs/dbraw/zinc/24/57/62/540245762.db2.gz SRSHTGCNEUKDED-AWEZNQCLSA-N 2 1 277.412 2.383 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)C(=O)Nc1ccccc1C ZINC000414747758 540245765 /nfs/dbraw/zinc/24/57/65/540245765.db2.gz SRSHTGCNEUKDED-AWEZNQCLSA-N 2 1 277.412 2.383 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(C)(C)C)C1 ZINC000386116590 540247014 /nfs/dbraw/zinc/24/70/14/540247014.db2.gz MBTMZJOEOXLYAF-KBPBESRZSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000386116590 540247017 /nfs/dbraw/zinc/24/70/17/540247017.db2.gz MBTMZJOEOXLYAF-KBPBESRZSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000386116590 540247020 /nfs/dbraw/zinc/24/70/20/540247020.db2.gz MBTMZJOEOXLYAF-KBPBESRZSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(C)(C)C)C1 ZINC000386116592 540247209 /nfs/dbraw/zinc/24/72/09/540247209.db2.gz MBTMZJOEOXLYAF-KGLIPLIRSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000386116592 540247211 /nfs/dbraw/zinc/24/72/11/540247211.db2.gz MBTMZJOEOXLYAF-KGLIPLIRSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000386116592 540247212 /nfs/dbraw/zinc/24/72/12/540247212.db2.gz MBTMZJOEOXLYAF-KGLIPLIRSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2scnc2C2CC2)C[C@@]1(C)C[NH3+] ZINC000415047520 540249312 /nfs/dbraw/zinc/24/93/12/540249312.db2.gz AWSQZGHKADTKKI-QMTHXVAHSA-N 2 1 265.426 2.437 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CCSc2ccccc21)C[NH+]1CCCC1 ZINC000338396294 366338798 /nfs/dbraw/zinc/33/87/98/366338798.db2.gz DJQJLIZAPFEMSA-UKRRQHHQSA-N 2 1 292.448 2.270 20 0 CEADMP CC[C@@]1(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000134571012 366340774 /nfs/dbraw/zinc/34/07/74/366340774.db2.gz JOSWAJYAWXJSOT-RDJZCZTQSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1cnc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000134869469 366367216 /nfs/dbraw/zinc/36/72/16/366367216.db2.gz MLTFYNYDRYJSMY-UKRRQHHQSA-N 2 1 275.396 2.432 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2cnn(C)c2)[C@H](C)C1 ZINC000079478929 538832480 /nfs/dbraw/zinc/83/24/80/538832480.db2.gz GKJKQUNCWRPLFF-ZBFHGGJFSA-N 2 1 278.444 2.015 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2cnn(C)c2)[C@H](C)C1 ZINC000079478929 538832487 /nfs/dbraw/zinc/83/24/87/538832487.db2.gz GKJKQUNCWRPLFF-ZBFHGGJFSA-N 2 1 278.444 2.015 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2cnn(C)c2)[C@H](C)C1 ZINC000079478929 538832495 /nfs/dbraw/zinc/83/24/95/538832495.db2.gz GKJKQUNCWRPLFF-ZBFHGGJFSA-N 2 1 278.444 2.015 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000121526307 538895831 /nfs/dbraw/zinc/89/58/31/538895831.db2.gz RCHVCMGORTZBAI-KGLIPLIRSA-N 3 1 278.444 2.148 20 0 CEADMP O=C(CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)NC1CCCCC1 ZINC000166249910 540294761 /nfs/dbraw/zinc/29/47/61/540294761.db2.gz FLOUTIZREDJPAQ-JKSUJKDBSA-N 2 1 293.455 2.042 20 0 CEADMP CC[NH+](CC)C[C@H](C)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000352385417 540301387 /nfs/dbraw/zinc/30/13/87/540301387.db2.gz HFFXMEXPSZAVJH-AWEZNQCLSA-N 2 1 291.443 2.031 20 0 CEADMP C[N@@H+](CCOCC1CC1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211965939 540305051 /nfs/dbraw/zinc/30/50/51/540305051.db2.gz ORJGBAAVHLMFEH-UHFFFAOYSA-N 2 1 274.408 2.191 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000159081128 540398633 /nfs/dbraw/zinc/39/86/33/540398633.db2.gz JYRARIUKTPZUQK-CABCVRRESA-N 2 1 274.408 2.484 20 0 CEADMP C[C@H](CO)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000135190934 366407348 /nfs/dbraw/zinc/40/73/48/366407348.db2.gz PATHTXSHAUHQEH-CABCVRRESA-N 2 1 276.424 2.258 20 0 CEADMP CCn1nccc1CC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000338565397 366415007 /nfs/dbraw/zinc/41/50/07/366415007.db2.gz AHHYTSNHQMVPFB-HOCLYGCPSA-N 2 1 278.444 2.108 20 0 CEADMP CCn1nccc1CC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000338565397 366415012 /nfs/dbraw/zinc/41/50/12/366415012.db2.gz AHHYTSNHQMVPFB-HOCLYGCPSA-N 2 1 278.444 2.108 20 0 CEADMP CCn1nccc1CC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000338565397 366415014 /nfs/dbraw/zinc/41/50/14/366415014.db2.gz AHHYTSNHQMVPFB-HOCLYGCPSA-N 2 1 278.444 2.108 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)c2ccccc21 ZINC000570832384 299280445 /nfs/dbraw/zinc/28/04/45/299280445.db2.gz PTBSZINZNKVQRD-LERXQTSPSA-N 2 1 299.340 2.357 20 0 CEADMP COC(=O)Nc1ccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000496623703 291156351 /nfs/dbraw/zinc/15/63/51/291156351.db2.gz NDLTWKJVDQQRIK-IUODEOHRSA-N 2 1 291.395 2.138 20 0 CEADMP C[N@@H+](CCN1CC[NH+](C)C(C)(C)C1)Cc1ccccc1 ZINC000578334280 366479144 /nfs/dbraw/zinc/47/91/44/366479144.db2.gz HBRGBDDSDSICOS-UHFFFAOYSA-N 2 1 275.440 2.144 20 0 CEADMP C[NH+](CCN1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000578334280 366479147 /nfs/dbraw/zinc/47/91/47/366479147.db2.gz HBRGBDDSDSICOS-UHFFFAOYSA-N 2 1 275.440 2.144 20 0 CEADMP C[NH+](CCN1CC[N@@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000578334280 366479149 /nfs/dbraw/zinc/47/91/49/366479149.db2.gz HBRGBDDSDSICOS-UHFFFAOYSA-N 2 1 275.440 2.144 20 0 CEADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000578523159 366507787 /nfs/dbraw/zinc/50/77/87/366507787.db2.gz ONKOIXNPRJKVHY-PWSUYJOCSA-N 2 1 282.350 2.152 20 0 CEADMP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000578523159 366507792 /nfs/dbraw/zinc/50/77/92/366507792.db2.gz ONKOIXNPRJKVHY-PWSUYJOCSA-N 2 1 282.350 2.152 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000578626225 366523416 /nfs/dbraw/zinc/52/34/16/366523416.db2.gz FZYIYEMZLZJNPM-ZJUUUORDSA-N 2 1 280.803 2.442 20 0 CEADMP COC(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OC ZINC000136758646 366525855 /nfs/dbraw/zinc/52/58/55/366525855.db2.gz PHKNGSZOVULLCR-HNNXBMFYSA-N 2 1 284.444 2.193 20 0 CEADMP COC(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OC ZINC000136758646 366525862 /nfs/dbraw/zinc/52/58/62/366525862.db2.gz PHKNGSZOVULLCR-HNNXBMFYSA-N 2 1 284.444 2.193 20 0 CEADMP CC(C)[C@@H](CO)[C@H]([NH2+]CCCc1c[nH+]cn1C)C(C)C ZINC000570981554 299287861 /nfs/dbraw/zinc/28/78/61/299287861.db2.gz QVHPCOMYWYAOMT-HZPDHXFCSA-N 2 1 281.444 2.231 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1 ZINC000311514689 540457013 /nfs/dbraw/zinc/45/70/13/540457013.db2.gz BYRWOTNRZCVLPI-HNNXBMFYSA-N 2 1 264.413 2.212 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1 ZINC000311514689 540457015 /nfs/dbraw/zinc/45/70/15/540457015.db2.gz BYRWOTNRZCVLPI-HNNXBMFYSA-N 2 1 264.413 2.212 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)CCCO1 ZINC000313349910 540465672 /nfs/dbraw/zinc/46/56/72/540465672.db2.gz VWOBFTUFMXSYPX-OAHLLOKOSA-N 2 1 260.381 2.114 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000671770631 540508443 /nfs/dbraw/zinc/50/84/43/540508443.db2.gz HRWWMRPLKAQIFH-XHSDSOJGSA-N 2 1 265.445 2.077 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000671770631 540508447 /nfs/dbraw/zinc/50/84/47/540508447.db2.gz HRWWMRPLKAQIFH-XHSDSOJGSA-N 2 1 265.445 2.077 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671770631 540508450 /nfs/dbraw/zinc/50/84/50/540508450.db2.gz HRWWMRPLKAQIFH-XHSDSOJGSA-N 2 1 265.445 2.077 20 0 CEADMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@@H]1CCCSCC1)CC2 ZINC000668068672 540563508 /nfs/dbraw/zinc/56/35/08/540563508.db2.gz TVSLJHQSCNIHRZ-CHWSQXEVSA-N 2 1 265.426 2.321 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)n1C ZINC000668146468 540573223 /nfs/dbraw/zinc/57/32/23/540573223.db2.gz HTSOCLUJJPTNAV-LBPRGKRZSA-N 2 1 291.317 2.008 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000578741257 366541369 /nfs/dbraw/zinc/54/13/69/366541369.db2.gz NJNUZVFQUMYJLL-HZPDHXFCSA-N 2 1 268.445 2.249 20 0 CEADMP C[NH+](C)Cc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000297581819 200233749 /nfs/dbraw/zinc/23/37/49/200233749.db2.gz INCQNODFOPXTLW-UHFFFAOYSA-N 3 1 287.451 2.465 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000341776302 216099039 /nfs/dbraw/zinc/09/90/39/216099039.db2.gz UGWJVPNRQJPQQQ-MRXNPFEDSA-N 2 1 297.487 2.441 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339073221 366640277 /nfs/dbraw/zinc/64/02/77/366640277.db2.gz BBPFVOSLBMZJFI-FGTMMUONSA-N 2 1 288.435 2.461 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCSC[C@H]2C[N@H+](C)CCO2)C1 ZINC000579495715 366655115 /nfs/dbraw/zinc/65/51/15/366655115.db2.gz JKBDSVKGCUDLDM-RBSFLKMASA-N 2 1 286.485 2.028 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCSC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000579495715 366655122 /nfs/dbraw/zinc/65/51/22/366655122.db2.gz JKBDSVKGCUDLDM-RBSFLKMASA-N 2 1 286.485 2.028 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCSC[C@@H]2C[NH+](C)CCO2)C1 ZINC000579495716 366655649 /nfs/dbraw/zinc/65/56/49/366655649.db2.gz JKBDSVKGCUDLDM-ZNMIVQPWSA-N 2 1 286.485 2.028 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCSC[C@@H]2C[NH+](C)CCO2)C1 ZINC000579495716 366655655 /nfs/dbraw/zinc/65/56/55/366655655.db2.gz JKBDSVKGCUDLDM-ZNMIVQPWSA-N 2 1 286.485 2.028 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCSC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000579495716 366655657 /nfs/dbraw/zinc/65/56/57/366655657.db2.gz JKBDSVKGCUDLDM-ZNMIVQPWSA-N 2 1 286.485 2.028 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCSC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000579495716 366655662 /nfs/dbraw/zinc/65/56/62/366655662.db2.gz JKBDSVKGCUDLDM-ZNMIVQPWSA-N 2 1 286.485 2.028 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000151953357 366679488 /nfs/dbraw/zinc/67/94/88/366679488.db2.gz IEYFMTABWVFUMO-LJISPDSOSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000151953357 366679495 /nfs/dbraw/zinc/67/94/95/366679495.db2.gz IEYFMTABWVFUMO-LJISPDSOSA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2cccc(OC)c2)[C@H](C)C1 ZINC000178083725 189089717 /nfs/dbraw/zinc/08/97/17/189089717.db2.gz OWVIYKMKHACKBL-XYPHTWIQSA-N 2 1 292.423 2.049 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(OC)c2)[C@H](C)C1 ZINC000178083714 189089755 /nfs/dbraw/zinc/08/97/55/189089755.db2.gz OWVIYKMKHACKBL-COXVUDFISA-N 2 1 292.423 2.049 20 0 CEADMP COCCC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000178413058 189114481 /nfs/dbraw/zinc/11/44/81/189114481.db2.gz JBJRSSKVWKHSLB-CYBMUJFWSA-N 2 1 288.395 2.480 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000178629218 189132704 /nfs/dbraw/zinc/13/27/04/189132704.db2.gz CHCXKPWZQWZWSV-HIFRSBDPSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000178629218 189132705 /nfs/dbraw/zinc/13/27/05/189132705.db2.gz CHCXKPWZQWZWSV-HIFRSBDPSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000178629218 189132706 /nfs/dbraw/zinc/13/27/06/189132706.db2.gz CHCXKPWZQWZWSV-HIFRSBDPSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000178629218 189132707 /nfs/dbraw/zinc/13/27/07/189132707.db2.gz CHCXKPWZQWZWSV-HIFRSBDPSA-N 2 1 275.396 2.006 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178700982 189138969 /nfs/dbraw/zinc/13/89/69/189138969.db2.gz XIKVYIMLKJNZAM-NEPJUHHUSA-N 2 1 275.400 2.220 20 0 CEADMP COc1cc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)ccc1O ZINC000179240214 189180045 /nfs/dbraw/zinc/18/00/45/189180045.db2.gz ONMZNGDWIFQWGJ-AWEZNQCLSA-N 2 1 278.396 2.317 20 0 CEADMP COc1cc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)ccc1O ZINC000179240214 189180046 /nfs/dbraw/zinc/18/00/46/189180046.db2.gz ONMZNGDWIFQWGJ-AWEZNQCLSA-N 2 1 278.396 2.317 20 0 CEADMP COc1cc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)ccc1O ZINC000179240214 189180047 /nfs/dbraw/zinc/18/00/47/189180047.db2.gz ONMZNGDWIFQWGJ-AWEZNQCLSA-N 2 1 278.396 2.317 20 0 CEADMP COc1cc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)ccc1O ZINC000179240214 189180048 /nfs/dbraw/zinc/18/00/48/189180048.db2.gz ONMZNGDWIFQWGJ-AWEZNQCLSA-N 2 1 278.396 2.317 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCN2Cc3ccccc3C2)[C@H](C)C1 ZINC000675780528 540873570 /nfs/dbraw/zinc/87/35/70/540873570.db2.gz PXCWOCARCHRCPX-CRAIPNDOSA-N 2 1 287.451 2.322 20 0 CEADMP C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)C1CC[NH+](C)CC1 ZINC000675795965 540874784 /nfs/dbraw/zinc/87/47/84/540874784.db2.gz NPIATWJJASQFLG-CQSZACIVSA-N 2 1 279.472 2.323 20 0 CEADMP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880247 540878442 /nfs/dbraw/zinc/87/84/42/540878442.db2.gz COZZCPVFRREBPQ-HOCLYGCPSA-N 2 1 298.471 2.423 20 0 CEADMP C1CC1[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCOC3)CC[C@@H]21 ZINC000676712097 540946641 /nfs/dbraw/zinc/94/66/41/540946641.db2.gz DXRCKZOBECHIDM-BMFZPTHFSA-N 2 1 264.413 2.114 20 0 CEADMP C1CC1[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCOC3)CC[C@@H]21 ZINC000676712097 540946642 /nfs/dbraw/zinc/94/66/42/540946642.db2.gz DXRCKZOBECHIDM-BMFZPTHFSA-N 2 1 264.413 2.114 20 0 CEADMP C1CC1[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCOC3)CC[C@@H]21 ZINC000676712097 540946645 /nfs/dbraw/zinc/94/66/45/540946645.db2.gz DXRCKZOBECHIDM-BMFZPTHFSA-N 2 1 264.413 2.114 20 0 CEADMP C1CC1[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCCOC3)CC[C@@H]21 ZINC000676712097 540946646 /nfs/dbraw/zinc/94/66/46/540946646.db2.gz DXRCKZOBECHIDM-BMFZPTHFSA-N 2 1 264.413 2.114 20 0 CEADMP C[C@H](CC[NH2+]C[C@@](C)(O)C(F)(F)F)[NH+]1CCCCC1 ZINC000579705662 366687651 /nfs/dbraw/zinc/68/76/51/366687651.db2.gz RVBHIIXAAYYMGP-VXGBXAGGSA-N 2 1 282.350 2.154 20 0 CEADMP COc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cn1 ZINC000579777483 366699704 /nfs/dbraw/zinc/69/97/04/366699704.db2.gz QXDSIXCMUMTZGX-GJZGRUSLSA-N 2 1 275.396 2.006 20 0 CEADMP CCC(CC)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000153888599 366742635 /nfs/dbraw/zinc/74/26/35/366742635.db2.gz BZPFSLNIOIJWNI-UHFFFAOYSA-N 2 1 256.434 2.201 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000677986333 541065417 /nfs/dbraw/zinc/06/54/17/541065417.db2.gz MXAKCNKWTWVSOV-QGZVFWFLSA-N 2 1 295.390 2.419 20 0 CEADMP CCc1nc(NCCC2CC[NH+](CC)CC2)cc(C)[nH+]1 ZINC000342363564 216325929 /nfs/dbraw/zinc/32/59/29/216325929.db2.gz AJSNRCYWLGXLMH-UHFFFAOYSA-N 2 1 276.428 2.303 20 0 CEADMP CC(=O)c1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)on1 ZINC000580212180 366767078 /nfs/dbraw/zinc/76/70/78/366767078.db2.gz ZWMPOMLKOZWHRK-UHFFFAOYSA-N 2 1 293.411 2.431 20 0 CEADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cncs2)CC1 ZINC000154476848 366775140 /nfs/dbraw/zinc/77/51/40/366775140.db2.gz KCSRGQLYGAEVHJ-CQSZACIVSA-N 2 1 296.484 2.211 20 0 CEADMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCOC3)CC2)cc1 ZINC000019914620 361567008 /nfs/dbraw/zinc/56/70/08/361567008.db2.gz XQQUHCVGDDNAJA-MRXNPFEDSA-N 2 1 274.408 2.277 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2)CCN1C ZINC000678547117 541147571 /nfs/dbraw/zinc/14/75/71/541147571.db2.gz AWCMOQBVYFAVID-DFBGVHRSSA-N 2 1 282.815 2.446 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000162469430 541164641 /nfs/dbraw/zinc/16/46/41/541164641.db2.gz RYSUUXIKDRXIMF-HGTKMLMNSA-N 2 1 266.429 2.406 20 0 CEADMP COCC[N@@H+](CCCn1ccnc1)C1CCCC1 ZINC000678883751 541187791 /nfs/dbraw/zinc/18/77/91/541187791.db2.gz SJPZGIDLNRQZQX-UHFFFAOYSA-N 2 1 251.374 2.164 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCCCO)C1 ZINC000679340336 541259599 /nfs/dbraw/zinc/25/95/99/541259599.db2.gz QYVLLLBRVWTAFQ-HUUCEWRRSA-N 2 1 256.434 2.248 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC=CCC2)cc1 ZINC000679360151 541264982 /nfs/dbraw/zinc/26/49/82/541264982.db2.gz RQUGVVKCPSVUGA-UHFFFAOYSA-N 2 1 260.381 2.389 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000088868424 363925563 /nfs/dbraw/zinc/92/55/63/363925563.db2.gz ORDSMWSEJMCTBX-GFCCVEGCSA-N 2 1 253.415 2.463 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(SC)CCOCC2)[C@H](C)C1 ZINC000090112343 364041267 /nfs/dbraw/zinc/04/12/67/364041267.db2.gz JMXJHGOAXDOLKQ-KGLIPLIRSA-N 2 1 286.485 2.219 20 0 CEADMP CCn1cncc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000090169755 364044863 /nfs/dbraw/zinc/04/48/63/364044863.db2.gz CIKNBOWJJVNENH-CQSZACIVSA-N 2 1 264.417 2.257 20 0 CEADMP CCn1cncc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000090169755 364044870 /nfs/dbraw/zinc/04/48/70/364044870.db2.gz CIKNBOWJJVNENH-CQSZACIVSA-N 2 1 264.417 2.257 20 0 CEADMP Cc1ccc2ncc(C[N@@H+](C)CC3CC[NH+](C)CC3)n2c1 ZINC000093089401 364139087 /nfs/dbraw/zinc/13/90/87/364139087.db2.gz WWHVDCKMNINLJG-UHFFFAOYSA-N 2 1 286.423 2.416 20 0 CEADMP C[N@H+](Cc1cccc2c1OCO2)CC1CC[NH+](C)CC1 ZINC000093088827 364139784 /nfs/dbraw/zinc/13/97/84/364139784.db2.gz WXPLDQOCNFCPLT-UHFFFAOYSA-N 2 1 276.380 2.189 20 0 CEADMP C[NH2+]CC(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000237304355 370709335 /nfs/dbraw/zinc/70/93/35/370709335.db2.gz TYIGHCVUXNCGQS-UHFFFAOYSA-N 2 1 275.396 2.206 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)CC[N@@H+]1C ZINC000093644838 364206708 /nfs/dbraw/zinc/20/67/08/364206708.db2.gz WVAWWXBXGHANPJ-YOEHRIQHSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)CC[N@H+]1C ZINC000093644838 364206717 /nfs/dbraw/zinc/20/67/17/364206717.db2.gz WVAWWXBXGHANPJ-YOEHRIQHSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cncn3)cc2)CC[NH+]1C ZINC000093644838 364206726 /nfs/dbraw/zinc/20/67/26/364206726.db2.gz WVAWWXBXGHANPJ-YOEHRIQHSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cncn3)cc2)CC[NH+]1C ZINC000093644838 364206732 /nfs/dbraw/zinc/20/67/32/364206732.db2.gz WVAWWXBXGHANPJ-YOEHRIQHSA-N 2 1 299.422 2.182 20 0 CEADMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1C ZINC000093873010 364236630 /nfs/dbraw/zinc/23/66/30/364236630.db2.gz WYFCXYNAZHQPBN-UHFFFAOYSA-N 2 1 250.386 2.420 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2C(C)(C)C)C1 ZINC000093947945 364243669 /nfs/dbraw/zinc/24/36/69/364243669.db2.gz GGRXFMNAEJXUPJ-CYBMUJFWSA-N 2 1 278.444 2.149 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2C(C)(C)C)C1 ZINC000093947945 364243671 /nfs/dbraw/zinc/24/36/71/364243671.db2.gz GGRXFMNAEJXUPJ-CYBMUJFWSA-N 2 1 278.444 2.149 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3ccc(O)cc3C2)CC[NH2+]1 ZINC000334848183 364276480 /nfs/dbraw/zinc/27/64/80/364276480.db2.gz OSRCJDOAIYRNSO-OLZOCXBDSA-N 2 1 260.381 2.138 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000334819558 364274007 /nfs/dbraw/zinc/27/40/07/364274007.db2.gz IWLAAFSIBYRPET-RHSMWYFYSA-N 2 1 273.424 2.386 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-n2cccn2)CC[N@H+]1C ZINC000094627623 364284015 /nfs/dbraw/zinc/28/40/15/364284015.db2.gz YIQUHUCPPJTJGC-GDBMZVCRSA-N 2 1 284.407 2.445 20 0 CEADMP Cc1ccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2c1 ZINC000334982012 364306465 /nfs/dbraw/zinc/30/64/65/364306465.db2.gz XMYXDINZPKMWQZ-HZPDHXFCSA-N 2 1 298.434 2.464 20 0 CEADMP Cc1ncsc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000335015573 364354947 /nfs/dbraw/zinc/35/49/47/364354947.db2.gz BSCFCBXVBSGVJA-STQMWFEESA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncsc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000335015573 364354951 /nfs/dbraw/zinc/35/49/51/364354951.db2.gz BSCFCBXVBSGVJA-STQMWFEESA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335015573 364354953 /nfs/dbraw/zinc/35/49/53/364354953.db2.gz BSCFCBXVBSGVJA-STQMWFEESA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000335015573 364354957 /nfs/dbraw/zinc/35/49/57/364354957.db2.gz BSCFCBXVBSGVJA-STQMWFEESA-N 2 1 265.426 2.368 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000582058377 366855480 /nfs/dbraw/zinc/85/54/80/366855480.db2.gz YSXBMJPZACLVJQ-DOTOQJQBSA-N 2 1 294.414 2.051 20 0 CEADMP CCNC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229277 364635698 /nfs/dbraw/zinc/63/56/98/364635698.db2.gz CQWHCYJRBCILBH-INIZCTEOSA-N 2 1 295.471 2.101 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000335256761 364675547 /nfs/dbraw/zinc/67/55/47/364675547.db2.gz LQTULBFYZJMBBW-UONOGXRCSA-N 2 1 274.408 2.441 20 0 CEADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)c1 ZINC000335643844 212359626 /nfs/dbraw/zinc/35/96/26/212359626.db2.gz NQWFHIUBNVFWCN-SFHVURJKSA-N 2 1 296.418 2.448 20 0 CEADMP C[C@H]1CC[N@H+](CCCOCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000111679880 364751951 /nfs/dbraw/zinc/75/19/51/364751951.db2.gz XZKGRWLBQOBUJD-QWRGUYRKSA-N 2 1 268.323 2.015 20 0 CEADMP C[C@H]1CC[N@@H+](CCCOCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000111679880 364751954 /nfs/dbraw/zinc/75/19/54/364751954.db2.gz XZKGRWLBQOBUJD-QWRGUYRKSA-N 2 1 268.323 2.015 20 0 CEADMP Brc1cc2c(s1)CC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335461744 364764626 /nfs/dbraw/zinc/76/46/26/364764626.db2.gz NRQILEGMIUBHKQ-SECBINFHSA-N 2 1 287.226 2.307 20 0 CEADMP CC(C)N1CCN(C(=O)c2cccc(-n3ccnc3)c2)CC1 ZINC000117752704 365122863 /nfs/dbraw/zinc/12/28/63/365122863.db2.gz CTKSYGATHMJKGO-UHFFFAOYSA-N 2 1 298.390 2.039 20 0 CEADMP CO[C@H](C[NH2+]CC1=CC[N@@H+](C)CC1)C1CCCC1 ZINC000638838342 370788075 /nfs/dbraw/zinc/78/80/75/370788075.db2.gz GPOCQASFHVBYDN-OAHLLOKOSA-N 2 1 252.402 2.043 20 0 CEADMP Oc1cc(F)cc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000275367219 193011279 /nfs/dbraw/zinc/01/12/79/193011279.db2.gz BSZKEIDBTUVPNW-LLVKDONJSA-N 2 1 275.327 2.080 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccnc1 ZINC000275364577 193011289 /nfs/dbraw/zinc/01/12/89/193011289.db2.gz BLUAWPZJWGUPTO-OLZOCXBDSA-N 2 1 256.353 2.191 20 0 CEADMP C(C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)C[C@H]1CCO1 ZINC000638863671 370805074 /nfs/dbraw/zinc/80/50/74/370805074.db2.gz BWYQMNCDXMWIKS-INIZCTEOSA-N 2 1 296.455 2.180 20 0 CEADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC000357095880 370805534 /nfs/dbraw/zinc/80/55/34/370805534.db2.gz AGLFMCNMMQLWTP-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP Cc1nnsc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000638850856 370796671 /nfs/dbraw/zinc/79/66/71/370796671.db2.gz HNUZTSXXTZVVFU-UHFFFAOYSA-N 2 1 276.409 2.198 20 0 CEADMP C[C@@H]1CC[N@H+](C)CCN1Cc1cc(-n2ccnc2)cs1 ZINC000335991614 365261740 /nfs/dbraw/zinc/26/17/40/365261740.db2.gz QKZWMISOIGFLHZ-CYBMUJFWSA-N 2 1 290.436 2.460 20 0 CEADMP C[C@@H]1CC[N@@H+](C)CCN1Cc1cc(-n2ccnc2)cs1 ZINC000335991614 365261745 /nfs/dbraw/zinc/26/17/45/365261745.db2.gz QKZWMISOIGFLHZ-CYBMUJFWSA-N 2 1 290.436 2.460 20 0 CEADMP CSC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000335998746 365272435 /nfs/dbraw/zinc/27/24/35/365272435.db2.gz RHOLRSOGRXVZDS-CHWSQXEVSA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000335998746 365272439 /nfs/dbraw/zinc/27/24/39/365272439.db2.gz RHOLRSOGRXVZDS-CHWSQXEVSA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000335998746 365272443 /nfs/dbraw/zinc/27/24/43/365272443.db2.gz RHOLRSOGRXVZDS-CHWSQXEVSA-N 2 1 254.443 2.298 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000582130058 366868216 /nfs/dbraw/zinc/86/82/16/366868216.db2.gz OZDNZLYVLBXTNW-ROUUACIJSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000582130058 366868220 /nfs/dbraw/zinc/86/82/20/366868220.db2.gz OZDNZLYVLBXTNW-ROUUACIJSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000582130058 366868222 /nfs/dbraw/zinc/86/82/22/366868222.db2.gz OZDNZLYVLBXTNW-ROUUACIJSA-N 2 1 290.451 2.396 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159110604 366877466 /nfs/dbraw/zinc/87/74/66/366877466.db2.gz ARFLBVBTCYCJQC-ZBFHGGJFSA-N 2 1 291.439 2.136 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1C ZINC000336106615 365416398 /nfs/dbraw/zinc/41/63/98/365416398.db2.gz VMGMLFGMXAETDS-CABCVRRESA-N 2 1 260.381 2.187 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1C ZINC000336106615 365416401 /nfs/dbraw/zinc/41/64/01/365416401.db2.gz VMGMLFGMXAETDS-CABCVRRESA-N 2 1 260.381 2.187 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccncc1 ZINC000275732404 193115118 /nfs/dbraw/zinc/11/51/18/193115118.db2.gz ZYSFSZIPAIENEH-CHWSQXEVSA-N 2 1 256.353 2.191 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C(C)(C)n2cncn2)C1 ZINC000340473866 366899465 /nfs/dbraw/zinc/89/94/65/366899465.db2.gz HOMRSTLGRZHGGY-CABCVRRESA-N 2 1 293.459 2.112 20 0 CEADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cn[nH]c2)[C@@H](C)C1 ZINC000340475520 366901255 /nfs/dbraw/zinc/90/12/55/366901255.db2.gz CWIQNRKQGAMRAP-DZKIICNBSA-N 2 1 294.443 2.197 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cn[nH]c2)[C@@H](C)C1 ZINC000340475520 366901261 /nfs/dbraw/zinc/90/12/61/366901261.db2.gz CWIQNRKQGAMRAP-DZKIICNBSA-N 2 1 294.443 2.197 20 0 CEADMP C(COCC1CCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000680935824 541477003 /nfs/dbraw/zinc/47/70/03/541477003.db2.gz JQWXCWNBCTWTLQ-CABCVRRESA-N 2 1 252.402 2.020 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000582853459 366969282 /nfs/dbraw/zinc/96/92/82/366969282.db2.gz FJNUMGFOBMJLPD-RDJZCZTQSA-N 2 1 276.424 2.140 20 0 CEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000572386911 299364087 /nfs/dbraw/zinc/36/40/87/299364087.db2.gz TUQOEVBJHIPICL-IRXDYDNUSA-N 2 1 281.488 2.284 20 0 CEADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1F ZINC000340670748 366977134 /nfs/dbraw/zinc/97/71/34/366977134.db2.gz BVOCICBEHHRPAG-HUBLWGQQSA-N 2 1 280.387 2.292 20 0 CEADMP COc1ccc(C[C@H](C)C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1F ZINC000340670748 366977139 /nfs/dbraw/zinc/97/71/39/366977139.db2.gz BVOCICBEHHRPAG-HUBLWGQQSA-N 2 1 280.387 2.292 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000340673553 366979631 /nfs/dbraw/zinc/97/96/31/366979631.db2.gz JFGFZHJOXAVBCF-GOEBONIOSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@H](c1nccc(N)n1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000583329987 367033669 /nfs/dbraw/zinc/03/36/69/367033669.db2.gz IROLOGRJMXPCIL-CYBMUJFWSA-N 2 1 291.443 2.004 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000583740430 367089924 /nfs/dbraw/zinc/08/99/24/367089924.db2.gz GQSPGDOTPABJBS-DOTOQJQBSA-N 3 1 281.488 2.427 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)n1C ZINC000583823702 367103715 /nfs/dbraw/zinc/10/37/15/367103715.db2.gz FDIWVNMUWGDTIK-HNNXBMFYSA-N 2 1 278.444 2.186 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)n1C ZINC000583823702 367103718 /nfs/dbraw/zinc/10/37/18/367103718.db2.gz FDIWVNMUWGDTIK-HNNXBMFYSA-N 2 1 278.444 2.186 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](Cc2cccs2)CC1 ZINC000162690913 367179815 /nfs/dbraw/zinc/17/98/15/367179815.db2.gz OIDHFKBSJXNIAE-OAHLLOKOSA-N 2 1 293.480 2.350 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](Cc2cccs2)CC1 ZINC000162690913 367179821 /nfs/dbraw/zinc/17/98/21/367179821.db2.gz OIDHFKBSJXNIAE-OAHLLOKOSA-N 2 1 293.480 2.350 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341060448 367153306 /nfs/dbraw/zinc/15/33/06/367153306.db2.gz NTVASELHUXACAR-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+]1CC[C@@H]2CC[NH+](CC3CCSCC3)[C@@H]2C1 ZINC000638918406 370841128 /nfs/dbraw/zinc/84/11/28/370841128.db2.gz PLSAFBBHLDSSAV-ZIAGYGMSSA-N 2 1 254.443 2.156 20 0 CEADMP C[N@H+]1CC[C@@H]2CC[NH+](CC3CCSCC3)[C@@H]2C1 ZINC000638918406 370841131 /nfs/dbraw/zinc/84/11/31/370841131.db2.gz PLSAFBBHLDSSAV-ZIAGYGMSSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2CC[N@H+](CC3CCSCC3)[C@@H]2C1 ZINC000638918406 370841135 /nfs/dbraw/zinc/84/11/35/370841135.db2.gz PLSAFBBHLDSSAV-ZIAGYGMSSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2CC[N@@H+](CC3CCSCC3)[C@@H]2C1 ZINC000638918406 370841140 /nfs/dbraw/zinc/84/11/40/370841140.db2.gz PLSAFBBHLDSSAV-ZIAGYGMSSA-N 2 1 254.443 2.156 20 0 CEADMP COc1ccccc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000165972885 367316801 /nfs/dbraw/zinc/31/68/01/367316801.db2.gz VHXIQLPBDOHDLA-JKSUJKDBSA-N 2 1 274.408 2.454 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH2+]C3)c2C1 ZINC000166718868 367327203 /nfs/dbraw/zinc/32/72/03/367327203.db2.gz BEYMBDZHKCGVHJ-CYBMUJFWSA-N 2 1 287.407 2.350 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH2+]C3)c2C1 ZINC000166718868 367327206 /nfs/dbraw/zinc/32/72/06/367327206.db2.gz BEYMBDZHKCGVHJ-CYBMUJFWSA-N 2 1 287.407 2.350 20 0 CEADMP CC[N@@H+](CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C)C(C)C ZINC000341902770 367377839 /nfs/dbraw/zinc/37/78/39/367377839.db2.gz VOVDOXZELSXQKP-RRFJBIMHSA-N 2 1 255.450 2.035 20 0 CEADMP CC[NH+](CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)C(C)C ZINC000341902770 367377842 /nfs/dbraw/zinc/37/78/42/367377842.db2.gz VOVDOXZELSXQKP-RRFJBIMHSA-N 2 1 255.450 2.035 20 0 CEADMP CC[NH+](CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C(C)C ZINC000341902770 367377849 /nfs/dbraw/zinc/37/78/49/367377849.db2.gz VOVDOXZELSXQKP-RRFJBIMHSA-N 2 1 255.450 2.035 20 0 CEADMP COC[C@H]1CCCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000342562424 367423508 /nfs/dbraw/zinc/42/35/08/367423508.db2.gz CKRASFUBSURROP-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@H]1CCCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000342562424 367423511 /nfs/dbraw/zinc/42/35/11/367423511.db2.gz CKRASFUBSURROP-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP Cc1ccc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)c(C[NH+](C)C)c1 ZINC000342590404 367437831 /nfs/dbraw/zinc/43/78/31/367437831.db2.gz SGUAIHJUGGHQHV-ZFWWWQNUSA-N 2 1 289.423 2.193 20 0 CEADMP C[C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@H]1C[NH3+] ZINC000631838848 367579268 /nfs/dbraw/zinc/57/92/68/367579268.db2.gz WDJCWRDVLLRQJD-GDBMZVCRSA-N 2 1 262.397 2.120 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)C[C@H]1C[NH3+] ZINC000631838306 367579416 /nfs/dbraw/zinc/57/94/16/367579416.db2.gz LWFGRWYNVOWGKB-NXEZZACHSA-N 2 1 273.302 2.127 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cn2)C[C@H]1C[NH3+] ZINC000631838306 367579418 /nfs/dbraw/zinc/57/94/18/367579418.db2.gz LWFGRWYNVOWGKB-NXEZZACHSA-N 2 1 273.302 2.127 20 0 CEADMP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1SC ZINC000631840151 367581955 /nfs/dbraw/zinc/58/19/55/367581955.db2.gz QDIUULWWKMDMKZ-DGCLKSJQSA-N 2 1 280.437 2.444 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](CCO)c2ccc(OC)cc2)C1 ZINC000343102468 367669527 /nfs/dbraw/zinc/66/95/27/367669527.db2.gz LCFHAEVRHKTHFP-IAOVAPTHSA-N 2 1 292.423 2.049 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](CCO)c2ccc(OC)cc2)C1 ZINC000343102468 367669533 /nfs/dbraw/zinc/66/95/33/367669533.db2.gz LCFHAEVRHKTHFP-IAOVAPTHSA-N 2 1 292.423 2.049 20 0 CEADMP Cc1ccn2c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cnc2c1 ZINC000343609252 367913844 /nfs/dbraw/zinc/91/38/44/367913844.db2.gz GTHZEYSZTNBTEF-CABCVRRESA-N 2 1 284.407 2.359 20 0 CEADMP Cc1ccn2c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cnc2c1 ZINC000343609252 367913848 /nfs/dbraw/zinc/91/38/48/367913848.db2.gz GTHZEYSZTNBTEF-CABCVRRESA-N 2 1 284.407 2.359 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC000173920018 367960279 /nfs/dbraw/zinc/96/02/79/367960279.db2.gz XURHRWHJWPUUIP-MRXNPFEDSA-N 2 1 288.435 2.438 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000173920018 367960285 /nfs/dbraw/zinc/96/02/85/367960285.db2.gz XURHRWHJWPUUIP-MRXNPFEDSA-N 2 1 288.435 2.438 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000173920018 367960288 /nfs/dbraw/zinc/96/02/88/367960288.db2.gz XURHRWHJWPUUIP-MRXNPFEDSA-N 2 1 288.435 2.438 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(CO)o2)C1 ZINC000174272686 368004758 /nfs/dbraw/zinc/00/47/58/368004758.db2.gz ZHHDXUTYAXKQEL-AWEZNQCLSA-N 2 1 280.412 2.374 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000343997979 368099703 /nfs/dbraw/zinc/09/97/03/368099703.db2.gz BPIJLIGDYJVSPS-KKUMJFAQSA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000343997979 368099708 /nfs/dbraw/zinc/09/97/08/368099708.db2.gz BPIJLIGDYJVSPS-KKUMJFAQSA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000343997979 368099714 /nfs/dbraw/zinc/09/97/14/368099714.db2.gz BPIJLIGDYJVSPS-KKUMJFAQSA-N 2 1 267.461 2.322 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000345154820 368173770 /nfs/dbraw/zinc/17/37/70/368173770.db2.gz AMSUFDPNMDQVAI-UHFFFAOYSA-N 2 1 283.375 2.292 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccoc1 ZINC000178071762 368286918 /nfs/dbraw/zinc/28/69/18/368286918.db2.gz OXVLFEKYNIMPHQ-DZGCQCFKSA-N 2 1 266.385 2.167 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(CCO[C@@H]2CCCCO2)C1 ZINC000181730743 368489334 /nfs/dbraw/zinc/48/93/34/368489334.db2.gz ZYEDCZOUJALXIH-HZPDHXFCSA-N 2 1 284.444 2.193 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000181730743 368489336 /nfs/dbraw/zinc/48/93/36/368489336.db2.gz ZYEDCZOUJALXIH-HZPDHXFCSA-N 2 1 284.444 2.193 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000181730743 368489338 /nfs/dbraw/zinc/48/93/38/368489338.db2.gz ZYEDCZOUJALXIH-HZPDHXFCSA-N 2 1 284.444 2.193 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000181730743 368489340 /nfs/dbraw/zinc/48/93/40/368489340.db2.gz ZYEDCZOUJALXIH-HZPDHXFCSA-N 2 1 284.444 2.193 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000181730743 368489342 /nfs/dbraw/zinc/48/93/42/368489342.db2.gz ZYEDCZOUJALXIH-HZPDHXFCSA-N 2 1 284.444 2.193 20 0 CEADMP C[NH+](C)CCCCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000572684213 299389098 /nfs/dbraw/zinc/38/90/98/299389098.db2.gz XXVOWMZUQKDWNY-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP CCc1cnc(C[N@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000346139915 368557488 /nfs/dbraw/zinc/55/74/88/368557488.db2.gz MACCCFMPAQNUMD-UHFFFAOYSA-N 2 1 267.442 2.479 20 0 CEADMP CCc1cnc(C[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000346139915 368557491 /nfs/dbraw/zinc/55/74/91/368557491.db2.gz MACCCFMPAQNUMD-UHFFFAOYSA-N 2 1 267.442 2.479 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000346277984 368617482 /nfs/dbraw/zinc/61/74/82/368617482.db2.gz NQURAZCJQUBQRN-CJNGLKHVSA-N 2 1 279.428 2.358 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNC(=O)CC1CCCCC1 ZINC000358158706 370928514 /nfs/dbraw/zinc/92/85/14/370928514.db2.gz OJCWTZBPACDIGI-GDBMZVCRSA-N 2 1 295.471 2.003 20 0 CEADMP CCCCOc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358161281 370930022 /nfs/dbraw/zinc/93/00/22/370930022.db2.gz FRPYGULELHAKCL-QGZVFWFLSA-N 2 1 292.423 2.022 20 0 CEADMP CCCCOc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358161281 370930026 /nfs/dbraw/zinc/93/00/26/370930026.db2.gz FRPYGULELHAKCL-QGZVFWFLSA-N 2 1 292.423 2.022 20 0 CEADMP C[N@H+](Cc1cnn(Cc2ccccc2)c1)CC(C)(C)C[NH3+] ZINC000346674710 368764085 /nfs/dbraw/zinc/76/40/85/368764085.db2.gz IWYXUCJBZQMSLT-UHFFFAOYSA-N 2 1 286.423 2.348 20 0 CEADMP C[N@@H+](Cc1cnn(Cc2ccccc2)c1)CC(C)(C)C[NH3+] ZINC000346674710 368764090 /nfs/dbraw/zinc/76/40/90/368764090.db2.gz IWYXUCJBZQMSLT-UHFFFAOYSA-N 2 1 286.423 2.348 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(C2CC2)nc2sccn12 ZINC000346693625 368776106 /nfs/dbraw/zinc/77/61/06/368776106.db2.gz OIIQZUNHKCKRNO-MNOVXSKESA-N 2 1 290.436 2.442 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(C2CC2)nc2sccn12 ZINC000346693625 368776110 /nfs/dbraw/zinc/77/61/10/368776110.db2.gz OIIQZUNHKCKRNO-MNOVXSKESA-N 2 1 290.436 2.442 20 0 CEADMP CCC1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634707482 368832597 /nfs/dbraw/zinc/83/25/97/368832597.db2.gz GUKRHBUEWAKAKP-SFHVURJKSA-N 2 1 288.435 2.403 20 0 CEADMP CCC1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634707482 368832602 /nfs/dbraw/zinc/83/26/02/368832602.db2.gz GUKRHBUEWAKAKP-SFHVURJKSA-N 2 1 288.435 2.403 20 0 CEADMP O[C@@]1(C[NH2+]CC2CC=CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634722939 368839629 /nfs/dbraw/zinc/83/96/29/368839629.db2.gz XOVSYOIFYNCVBF-GOSISDBHSA-N 2 1 286.419 2.179 20 0 CEADMP O[C@@]1(C[NH2+]CC2CC=CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634722939 368839632 /nfs/dbraw/zinc/83/96/32/368839632.db2.gz XOVSYOIFYNCVBF-GOSISDBHSA-N 2 1 286.419 2.179 20 0 CEADMP CC(C)[C@H]1CC[N@H+]1C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000634647382 368794669 /nfs/dbraw/zinc/79/46/69/368794669.db2.gz XGIMLKNLGXYDNM-QZTJIDSGSA-N 2 1 288.435 2.354 20 0 CEADMP CC(C)[C@H]1CC[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634647382 368794674 /nfs/dbraw/zinc/79/46/74/368794674.db2.gz XGIMLKNLGXYDNM-QZTJIDSGSA-N 2 1 288.435 2.354 20 0 CEADMP CC(C)[C@H]1CC[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634647382 368794681 /nfs/dbraw/zinc/79/46/81/368794681.db2.gz XGIMLKNLGXYDNM-QZTJIDSGSA-N 2 1 288.435 2.354 20 0 CEADMP CC(C)[C@H]1CC[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634647382 368794687 /nfs/dbraw/zinc/79/46/87/368794687.db2.gz XGIMLKNLGXYDNM-QZTJIDSGSA-N 2 1 288.435 2.354 20 0 CEADMP CC(C)[C@H]1CC[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634647382 368794690 /nfs/dbraw/zinc/79/46/90/368794690.db2.gz XGIMLKNLGXYDNM-QZTJIDSGSA-N 2 1 288.435 2.354 20 0 CEADMP CC[C@@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000348125498 368909770 /nfs/dbraw/zinc/90/97/70/368909770.db2.gz PCJARWDRANFDDI-ILXRZTDVSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000348273635 368980597 /nfs/dbraw/zinc/98/05/97/368980597.db2.gz KKAHZTUXQPPSPT-OWSLCNJRSA-N 2 1 288.435 2.052 20 0 CEADMP CN(CCc1ccccn1)Cc1ncc(C[NH+](C)C)s1 ZINC000348216878 368953536 /nfs/dbraw/zinc/95/35/36/368953536.db2.gz CQNIMTGUHPBDOA-UHFFFAOYSA-N 2 1 290.436 2.274 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC000348320052 369000864 /nfs/dbraw/zinc/00/08/64/369000864.db2.gz QGWMMHOXVPIKIJ-JKSUJKDBSA-N 2 1 295.471 2.003 20 0 CEADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000348320605 369002275 /nfs/dbraw/zinc/00/22/75/369002275.db2.gz NUTCWMVEQKNEFD-KURKYZTESA-N 2 1 286.419 2.087 20 0 CEADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](C[C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000348320605 369002278 /nfs/dbraw/zinc/00/22/78/369002278.db2.gz NUTCWMVEQKNEFD-KURKYZTESA-N 2 1 286.419 2.087 20 0 CEADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](C[C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000348320605 369002280 /nfs/dbraw/zinc/00/22/80/369002280.db2.gz NUTCWMVEQKNEFD-KURKYZTESA-N 2 1 286.419 2.087 20 0 CEADMP C(C1CCCCC1)[N@H+]1CCCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992428 369021333 /nfs/dbraw/zinc/02/13/33/369021333.db2.gz ORIJFXMFODPHIT-UHFFFAOYSA-N 2 1 291.483 2.326 20 0 CEADMP C[C@@H](C[NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)cc1F ZINC000634996202 369025335 /nfs/dbraw/zinc/02/53/35/369025335.db2.gz COPMBBUFSDHBJR-NLTNOIMHSA-N 2 1 266.335 2.410 20 0 CEADMP CC(C)[C@@H](C[NH3+])C[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000634997577 369027963 /nfs/dbraw/zinc/02/79/63/369027963.db2.gz OCUYQQNUJJLSKY-ZDUSSCGKSA-N 2 1 278.444 2.035 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000634999052 369030842 /nfs/dbraw/zinc/03/08/42/369030842.db2.gz PFWFLGKFANMKHH-DZGCQCFKSA-N 2 1 284.407 2.412 20 0 CEADMP C[C@@H]1C[N@H+](Cc2nc3c(s2)CCCC3)C[C@H]1C[NH3+] ZINC000634998959 369031421 /nfs/dbraw/zinc/03/14/21/369031421.db2.gz NNCYTCCBWSMFCU-GHMZBOCLSA-N 2 1 265.426 2.049 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc3c(s2)CCCC3)C[C@H]1C[NH3+] ZINC000634998959 369031427 /nfs/dbraw/zinc/03/14/27/369031427.db2.gz NNCYTCCBWSMFCU-GHMZBOCLSA-N 2 1 265.426 2.049 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000635004518 369039597 /nfs/dbraw/zinc/03/95/97/369039597.db2.gz PMEYNKPTISONBG-CVYDXHPNSA-N 2 1 289.467 2.470 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000635004518 369039601 /nfs/dbraw/zinc/03/96/01/369039601.db2.gz PMEYNKPTISONBG-CVYDXHPNSA-N 3 1 289.467 2.470 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000635004518 369039609 /nfs/dbraw/zinc/03/96/09/369039609.db2.gz PMEYNKPTISONBG-CVYDXHPNSA-N 3 1 289.467 2.470 20 0 CEADMP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cnccc1N ZINC000635004886 369041543 /nfs/dbraw/zinc/04/15/43/369041543.db2.gz GCVKNASZKVUFJC-HIFRSBDPSA-N 2 1 284.407 2.105 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)no1 ZINC000635012410 369050488 /nfs/dbraw/zinc/05/04/88/369050488.db2.gz UNKARXNCPKYCAY-GFCCVEGCSA-N 2 1 271.364 2.480 20 0 CEADMP C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)[C@@H]1CCCC[NH2+]1 ZINC000635014328 369054463 /nfs/dbraw/zinc/05/44/63/369054463.db2.gz PWZLRKWYWJEQNX-MNOVXSKESA-N 2 1 290.333 2.022 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[NH+](C)C ZINC000635338610 369144380 /nfs/dbraw/zinc/14/43/80/369144380.db2.gz UWYJBGMDTZPGIT-CQSZACIVSA-N 2 1 291.439 2.093 20 0 CEADMP C[N@@H+](CC(=O)N1CCC[NH+](C(C)(C)C)CC1)CC(C)(C)C ZINC000635449727 369177540 /nfs/dbraw/zinc/17/75/40/369177540.db2.gz GIWDHGFJVOLSMI-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP C[NH+](CC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)CC(C)(C)C ZINC000635449727 369177542 /nfs/dbraw/zinc/17/75/42/369177542.db2.gz GIWDHGFJVOLSMI-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP C[NH+](CC(=O)N1CCC[N@H+](C(C)(C)C)CC1)CC(C)(C)C ZINC000635449727 369177546 /nfs/dbraw/zinc/17/75/46/369177546.db2.gz GIWDHGFJVOLSMI-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCC)CC1 ZINC000349061020 369232672 /nfs/dbraw/zinc/23/26/72/369232672.db2.gz WJMPXUGKLOMCLK-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](CCC)CC1 ZINC000349061021 369232939 /nfs/dbraw/zinc/23/29/39/369232939.db2.gz WJMPXUGKLOMCLK-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000349097679 369243051 /nfs/dbraw/zinc/24/30/51/369243051.db2.gz KURAOFWPCCFEGT-OAHLLOKOSA-N 2 1 283.460 2.096 20 0 CEADMP Cc1ccnc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000683017278 541752896 /nfs/dbraw/zinc/75/28/96/541752896.db2.gz DZOJKDZITAXMDW-BRWVUGGUSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ccnc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000683017278 541752897 /nfs/dbraw/zinc/75/28/97/541752897.db2.gz DZOJKDZITAXMDW-BRWVUGGUSA-N 2 1 289.423 2.074 20 0 CEADMP CCCn1cc[nH+]c1CCCN(C)Cc1nc(CC)no1 ZINC000683224855 541776507 /nfs/dbraw/zinc/77/65/07/541776507.db2.gz ROUKSJYLHRUBQJ-UHFFFAOYSA-N 2 1 291.399 2.303 20 0 CEADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@@H](O)C[NH+](C)C ZINC000349790019 369402534 /nfs/dbraw/zinc/40/25/34/369402534.db2.gz NBKKSDRKILTTEJ-ZBFHGGJFSA-N 2 1 276.424 2.193 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635947492 369417886 /nfs/dbraw/zinc/41/78/86/369417886.db2.gz JBZADDVRMXHPJF-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358225228 370959871 /nfs/dbraw/zinc/95/98/71/370959871.db2.gz CEMCOHNVJUZFQB-HOTGVXAUSA-N 2 1 262.397 2.184 20 0 CEADMP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358225228 370959876 /nfs/dbraw/zinc/95/98/76/370959876.db2.gz CEMCOHNVJUZFQB-HOTGVXAUSA-N 2 1 262.397 2.184 20 0 CEADMP [NH3+]Cc1ccc(-c2noc([C@@H]3CCn4c[nH+]cc4C3)n2)cc1 ZINC000349922720 369453989 /nfs/dbraw/zinc/45/39/89/369453989.db2.gz SJCLTSBKHGWEHV-CYBMUJFWSA-N 2 1 295.346 2.122 20 0 CEADMP Cc1cc(C)c(CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)cn1 ZINC000636006291 369454028 /nfs/dbraw/zinc/45/40/28/369454028.db2.gz JGZHOPGISZPATJ-MRXNPFEDSA-N 2 1 287.407 2.332 20 0 CEADMP Cc1cc(C)c(CNC(=O)[C@H]2CCN2C2CCCC2)cn1 ZINC000636006291 369454033 /nfs/dbraw/zinc/45/40/33/369454033.db2.gz JGZHOPGISZPATJ-MRXNPFEDSA-N 2 1 287.407 2.332 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358214993 370953386 /nfs/dbraw/zinc/95/33/86/370953386.db2.gz CNXKXAIXVQRYNU-KGLIPLIRSA-N 2 1 290.455 2.261 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358214993 370953390 /nfs/dbraw/zinc/95/33/90/370953390.db2.gz CNXKXAIXVQRYNU-KGLIPLIRSA-N 2 1 290.455 2.261 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000358248319 370969753 /nfs/dbraw/zinc/96/97/53/370969753.db2.gz GOIHQEAYUOCQMU-KSZLIROESA-N 2 1 288.435 2.054 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000358248319 370969759 /nfs/dbraw/zinc/96/97/59/370969759.db2.gz GOIHQEAYUOCQMU-KSZLIROESA-N 2 1 288.435 2.054 20 0 CEADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000358229285 370962406 /nfs/dbraw/zinc/96/24/06/370962406.db2.gz GITGSVKOHGGICO-DLBZAZTESA-N 2 1 292.423 2.193 20 0 CEADMP CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000358229285 370962412 /nfs/dbraw/zinc/96/24/12/370962412.db2.gz GITGSVKOHGGICO-DLBZAZTESA-N 2 1 292.423 2.193 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cnc(C3CC3)nc2)[C@@H](C)C1 ZINC000358258768 370977298 /nfs/dbraw/zinc/97/72/98/370977298.db2.gz VQOJYHFUZKYKAD-BBRMVZONSA-N 2 1 288.439 2.216 20 0 CEADMP Cc1ccc(C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C(C)C)cc1 ZINC000358261886 370980018 /nfs/dbraw/zinc/98/00/18/370980018.db2.gz ZWAFOXGBXGEMJS-QZTJIDSGSA-N 2 1 290.451 2.218 20 0 CEADMP Cc1ccc(C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C(C)C)cc1 ZINC000358261886 370980022 /nfs/dbraw/zinc/98/00/22/370980022.db2.gz ZWAFOXGBXGEMJS-QZTJIDSGSA-N 2 1 290.451 2.218 20 0 CEADMP C[C@H](CCC1CCCCC1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358263211 370981644 /nfs/dbraw/zinc/98/16/44/370981644.db2.gz XLYBHVLQMXGVRM-ZBFHGGJFSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@H](CCC1CCCCC1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358263211 370981648 /nfs/dbraw/zinc/98/16/48/370981648.db2.gz XLYBHVLQMXGVRM-ZBFHGGJFSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CCCO1 ZINC000639115272 370991221 /nfs/dbraw/zinc/99/12/21/370991221.db2.gz ALPLPFJLYRAKBB-JONQDZQNSA-N 2 1 266.429 2.123 20 0 CEADMP CCOC1CC(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000352016463 369659316 /nfs/dbraw/zinc/65/93/16/369659316.db2.gz XHMRSZNEDMMPEH-GTPINHCMSA-N 2 1 280.456 2.465 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000352016463 369659322 /nfs/dbraw/zinc/65/93/22/369659322.db2.gz XHMRSZNEDMMPEH-GTPINHCMSA-N 2 1 280.456 2.465 20 0 CEADMP CCOC1CC(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000352016463 369659327 /nfs/dbraw/zinc/65/93/27/369659327.db2.gz XHMRSZNEDMMPEH-GTPINHCMSA-N 2 1 280.456 2.465 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@H](CO)Cc2cccc(C)c2)[C@H](C)C1 ZINC000191602400 369725941 /nfs/dbraw/zinc/72/59/41/369725941.db2.gz HPGXSPCUSJQPMS-BPQIPLTHSA-N 2 1 290.451 2.218 20 0 CEADMP COC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000192441907 369813677 /nfs/dbraw/zinc/81/36/77/369813677.db2.gz KEVHZCFGLQKLHN-FHERZECASA-N 2 1 296.455 2.428 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000192461727 369816491 /nfs/dbraw/zinc/81/64/91/369816491.db2.gz MWKXZANABBOZQL-CRAIPNDOSA-N 2 1 288.435 2.449 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000192461727 369816492 /nfs/dbraw/zinc/81/64/92/369816492.db2.gz MWKXZANABBOZQL-CRAIPNDOSA-N 2 1 288.435 2.449 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])o1 ZINC000352544429 369780197 /nfs/dbraw/zinc/78/01/97/369780197.db2.gz ALYILBYSXKSSSE-LBPRGKRZSA-N 2 1 280.368 2.160 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])o1 ZINC000352544429 369780200 /nfs/dbraw/zinc/78/02/00/369780200.db2.gz ALYILBYSXKSSSE-LBPRGKRZSA-N 2 1 280.368 2.160 20 0 CEADMP COc1ccsc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352545174 369780383 /nfs/dbraw/zinc/78/03/83/369780383.db2.gz GZCQZDWJOGVXAI-LLVKDONJSA-N 2 1 254.399 2.460 20 0 CEADMP c1cc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c[nH]1 ZINC000192356295 369801529 /nfs/dbraw/zinc/80/15/29/369801529.db2.gz WZIGXRVZOXHFCH-GOSISDBHSA-N 2 1 299.418 2.395 20 0 CEADMP c1cc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c[nH]1 ZINC000192356295 369801537 /nfs/dbraw/zinc/80/15/37/369801537.db2.gz WZIGXRVZOXHFCH-GOSISDBHSA-N 2 1 299.418 2.395 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCSC2)s1 ZINC000352704665 369847312 /nfs/dbraw/zinc/84/73/12/369847312.db2.gz JHJLCGIALMEHJG-JTQLQIEISA-N 2 1 271.455 2.047 20 0 CEADMP CC(C)[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000352732328 369858562 /nfs/dbraw/zinc/85/85/62/369858562.db2.gz ZCSIHGRYTOXODK-HIFRSBDPSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1cnn(C)c1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000352730560 369859342 /nfs/dbraw/zinc/85/93/42/369859342.db2.gz FEZKYGPMFMVGCS-HUUCEWRRSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1cnn(C)c1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000352730560 369859346 /nfs/dbraw/zinc/85/93/46/369859346.db2.gz FEZKYGPMFMVGCS-HUUCEWRRSA-N 2 1 290.455 2.471 20 0 CEADMP Cc1c[nH]nc1C[NH2+]CCc1nccn1Cc1ccccc1 ZINC000352841753 369908136 /nfs/dbraw/zinc/90/81/36/369908136.db2.gz STFLFLIMTCZSKX-UHFFFAOYSA-N 2 1 295.390 2.295 20 0 CEADMP C[C@H]1CCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352756436 369869279 /nfs/dbraw/zinc/86/92/79/369869279.db2.gz QRDADNZIRIJVFC-JQWIXIFHSA-N 2 1 253.415 2.483 20 0 CEADMP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)cn1 ZINC000352759800 369871017 /nfs/dbraw/zinc/87/10/17/369871017.db2.gz LOHVZABCNUYQJH-HNNXBMFYSA-N 2 1 261.413 2.466 20 0 CEADMP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)cn1 ZINC000352759800 369871023 /nfs/dbraw/zinc/87/10/23/369871023.db2.gz LOHVZABCNUYQJH-HNNXBMFYSA-N 2 1 261.413 2.466 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352760980 369871691 /nfs/dbraw/zinc/87/16/91/369871691.db2.gz SBVLIHVHIUQLLF-CQSZACIVSA-N 2 1 299.484 2.337 20 0 CEADMP C[NH+](C)[C@H](C[NH2+]CC1(C)COC1)C1CCCCC1 ZINC000352766773 369874159 /nfs/dbraw/zinc/87/41/59/369874159.db2.gz ALOCXZKXJQXXCC-CQSZACIVSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnn2C)C1 ZINC000193034989 369885139 /nfs/dbraw/zinc/88/51/39/369885139.db2.gz SNOZEJBEZQAXEC-GJZGRUSLSA-N 2 1 278.444 2.439 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccnn2C)C1 ZINC000193034989 369885145 /nfs/dbraw/zinc/88/51/45/369885145.db2.gz SNOZEJBEZQAXEC-GJZGRUSLSA-N 2 1 278.444 2.439 20 0 CEADMP CC(C)(C[NH2+]Cc1cc(C(N)=O)cs1)C[NH+]1CCCC1 ZINC000276732958 193444894 /nfs/dbraw/zinc/44/48/94/193444894.db2.gz VUEBJEMOSNVCNH-UHFFFAOYSA-N 2 1 295.452 2.059 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)COC3)CC[N@H+]1C ZINC000336473290 213343856 /nfs/dbraw/zinc/34/38/56/213343856.db2.gz CDEJVIYAKUFBPT-LRDDRELGSA-N 2 1 260.381 2.289 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000352912163 369946013 /nfs/dbraw/zinc/94/60/13/369946013.db2.gz RQTANVZIDVAUDP-RDJZCZTQSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)O1 ZINC000353155698 370044728 /nfs/dbraw/zinc/04/47/28/370044728.db2.gz PLFJCHXVZYVURH-YYJFMHSASA-N 2 1 252.402 2.111 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)O1 ZINC000353155698 370044732 /nfs/dbraw/zinc/04/47/32/370044732.db2.gz PLFJCHXVZYVURH-YYJFMHSASA-N 2 1 252.402 2.111 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)O1 ZINC000353155698 370044736 /nfs/dbraw/zinc/04/47/36/370044736.db2.gz PLFJCHXVZYVURH-YYJFMHSASA-N 2 1 252.402 2.111 20 0 CEADMP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000637809506 370080838 /nfs/dbraw/zinc/08/08/38/370080838.db2.gz ZPAXWXMFFSCUQI-ZDUSSCGKSA-N 2 1 275.396 2.076 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC[N@H+]1C ZINC000637859326 370127390 /nfs/dbraw/zinc/12/73/90/370127390.db2.gz DZYGEYNAGHKORJ-UHOFOFEASA-N 2 1 289.423 2.053 20 0 CEADMP CC(C)n1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000220349127 370232488 /nfs/dbraw/zinc/23/24/88/370232488.db2.gz MTKYNBDIRFPGBQ-RRFJBIMHSA-N 2 1 262.401 2.023 20 0 CEADMP CCC[C@@H](C[N@H+]1CC[C@H](C[NH+](CC)CC)C1)OC ZINC000638122566 370318305 /nfs/dbraw/zinc/31/83/05/370318305.db2.gz KQWXZDFLERWNFP-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@](C)(CC)OC)C1 ZINC000638122184 370318339 /nfs/dbraw/zinc/31/83/39/370318339.db2.gz JCGDCEQXJUSPHO-HUUCEWRRSA-N 2 1 256.434 2.465 20 0 CEADMP CCCCNC(=O)CC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354221013 370265811 /nfs/dbraw/zinc/26/58/11/370265811.db2.gz GGKTYQNVWMOSDC-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCCCNC(=O)CC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354221013 370265813 /nfs/dbraw/zinc/26/58/13/370265813.db2.gz GGKTYQNVWMOSDC-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCCCNC(=O)CC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354221013 370265820 /nfs/dbraw/zinc/26/58/20/370265820.db2.gz GGKTYQNVWMOSDC-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@](C)(OC)C2CC2)[C@@H](C)C1 ZINC000638112655 370309406 /nfs/dbraw/zinc/30/94/06/370309406.db2.gz JQBQMWCHNIFPDZ-BPUTZDHNSA-N 2 1 268.445 2.464 20 0 CEADMP C[C@@]1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1c1ccccc1 ZINC000638186205 370363974 /nfs/dbraw/zinc/36/39/74/370363974.db2.gz NSZFLOFGTROFEK-YVSFHVDLSA-N 2 1 256.393 2.331 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC000354510825 370393395 /nfs/dbraw/zinc/39/33/95/370393395.db2.gz MJCAMLZNKCTWLH-LXFSFDBISA-N 2 1 282.428 2.037 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC000354510825 370393400 /nfs/dbraw/zinc/39/34/00/370393400.db2.gz MJCAMLZNKCTWLH-LXFSFDBISA-N 2 1 282.428 2.037 20 0 CEADMP CC[NH2+][C@H](C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000638130711 370325686 /nfs/dbraw/zinc/32/56/86/370325686.db2.gz HUGDNFZECPCQED-HUUCEWRRSA-N 2 1 291.439 2.011 20 0 CEADMP CO[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000638358494 370468030 /nfs/dbraw/zinc/46/80/30/370468030.db2.gz CLZHGSUGMYOACL-SJLPKXTDSA-N 2 1 288.435 2.318 20 0 CEADMP COCCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000230897037 370468769 /nfs/dbraw/zinc/46/87/69/370468769.db2.gz DSXIJLKLMZVRNQ-BFHYXJOUSA-N 2 1 256.434 2.367 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)[C@@H]2CC2(F)F)CC1 ZINC000638360128 370469861 /nfs/dbraw/zinc/46/98/61/370469861.db2.gz PLKUWVHTZYQFCG-KBPBESRZSA-N 2 1 289.414 2.037 20 0 CEADMP C[C@H](C[NH2+]C1CC(n2cccn2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638364243 370473518 /nfs/dbraw/zinc/47/35/18/370473518.db2.gz XZRJBVYBOJEAMC-WXLSXGNJSA-N 2 1 276.428 2.297 20 0 CEADMP C[C@H](C[NH2+]C1CC(n2cccn2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000638364243 370473520 /nfs/dbraw/zinc/47/35/20/370473520.db2.gz XZRJBVYBOJEAMC-WXLSXGNJSA-N 2 1 276.428 2.297 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000235581342 370569898 /nfs/dbraw/zinc/56/98/98/370569898.db2.gz RVCQEPKFDOTORH-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CC[NH3+])c1 ZINC000236726637 370615258 /nfs/dbraw/zinc/61/52/58/370615258.db2.gz MJTSKUVIHDAGBU-UHFFFAOYSA-N 2 1 291.439 2.274 20 0 CEADMP c1cnn(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000236757930 370621805 /nfs/dbraw/zinc/62/18/05/370621805.db2.gz UNIJWGBMWFSJGF-UHFFFAOYSA-N 2 1 298.434 2.180 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638589116 370623046 /nfs/dbraw/zinc/62/30/46/370623046.db2.gz RORGWMLANBTINK-IRXDYDNUSA-N 2 1 287.451 2.444 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638589117 370623690 /nfs/dbraw/zinc/62/36/90/370623690.db2.gz RORGWMLANBTINK-SJORKVTESA-N 2 1 287.451 2.444 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000638566128 370607884 /nfs/dbraw/zinc/60/78/84/370607884.db2.gz AYCYXYOVEHJKOX-LBPRGKRZSA-N 2 1 253.415 2.353 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000638566128 370607887 /nfs/dbraw/zinc/60/78/87/370607887.db2.gz AYCYXYOVEHJKOX-LBPRGKRZSA-N 2 1 253.415 2.353 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246871730 371023783 /nfs/dbraw/zinc/02/37/83/371023783.db2.gz DLZIAVFBTHKXNB-NNXHMXCWSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246871730 371023789 /nfs/dbraw/zinc/02/37/89/371023789.db2.gz DLZIAVFBTHKXNB-NNXHMXCWSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246871730 371023795 /nfs/dbraw/zinc/02/37/95/371023795.db2.gz DLZIAVFBTHKXNB-NNXHMXCWSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ncccc23)CC[N@H+]1C ZINC000358342049 371024034 /nfs/dbraw/zinc/02/40/34/371024034.db2.gz PFLOXKNPWLNMTB-TZMCWYRMSA-N 2 1 272.396 2.178 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2N)C1 ZINC000639169452 371041839 /nfs/dbraw/zinc/04/18/39/371041839.db2.gz DMEHTTGSGWPHAW-LBPRGKRZSA-N 2 1 265.376 2.228 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2N)C1 ZINC000639169452 371041845 /nfs/dbraw/zinc/04/18/45/371041845.db2.gz DMEHTTGSGWPHAW-LBPRGKRZSA-N 2 1 265.376 2.228 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247044298 371054387 /nfs/dbraw/zinc/05/43/87/371054387.db2.gz LVOKDJBJRBBILI-FPMFFAJLSA-N 2 1 264.417 2.252 20 0 CEADMP CC(=O)Nc1cccc([C@H](C)N[C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000358411496 371054881 /nfs/dbraw/zinc/05/48/81/371054881.db2.gz ZASFKYCWUIYPMC-BFQNTYOBSA-N 2 1 275.396 2.246 20 0 CEADMP CC(=O)Nc1cccc([C@H](C)N[C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000358411496 371054887 /nfs/dbraw/zinc/05/48/87/371054887.db2.gz ZASFKYCWUIYPMC-BFQNTYOBSA-N 2 1 275.396 2.246 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCCC(C)C)[C@@H](C)C1 ZINC000247109194 371066208 /nfs/dbraw/zinc/06/62/08/371066208.db2.gz SXKSPLKNSRHPRO-LSDHHAIUSA-N 2 1 256.434 2.369 20 0 CEADMP CC[N@H+]1CC[C@H](NC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000247111104 371066709 /nfs/dbraw/zinc/06/67/09/371066709.db2.gz PFOFOKOTXMLRKI-HOCLYGCPSA-N 3 1 267.461 2.179 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247254973 371083282 /nfs/dbraw/zinc/08/32/82/371083282.db2.gz ZZPLRNWQXYDBGV-CWRNSKLLSA-N 2 1 262.397 2.101 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)OC ZINC000639208522 371097138 /nfs/dbraw/zinc/09/71/38/371097138.db2.gz XDCLFAIVCKQFHN-HRCADAONSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)OC ZINC000639208522 371097142 /nfs/dbraw/zinc/09/71/42/371097142.db2.gz XDCLFAIVCKQFHN-HRCADAONSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)OC ZINC000639208522 371097145 /nfs/dbraw/zinc/09/71/45/371097145.db2.gz XDCLFAIVCKQFHN-HRCADAONSA-N 2 1 268.445 2.465 20 0 CEADMP C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCC[NH+]1C1CC1 ZINC000683695086 541845345 /nfs/dbraw/zinc/84/53/45/541845345.db2.gz ZKGLAFXOYUPEBU-PVAVHDDUSA-N 2 1 277.456 2.220 20 0 CEADMP C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000683695086 541845348 /nfs/dbraw/zinc/84/53/48/541845348.db2.gz ZKGLAFXOYUPEBU-PVAVHDDUSA-N 2 1 277.456 2.220 20 0 CEADMP C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000683695086 541845351 /nfs/dbraw/zinc/84/53/51/541845351.db2.gz ZKGLAFXOYUPEBU-PVAVHDDUSA-N 2 1 277.456 2.220 20 0 CEADMP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCCN1C1CC1 ZINC000683695086 541845353 /nfs/dbraw/zinc/84/53/53/541845353.db2.gz ZKGLAFXOYUPEBU-PVAVHDDUSA-N 2 1 277.456 2.220 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCCN1C1CC1 ZINC000683695086 541845356 /nfs/dbraw/zinc/84/53/56/541845356.db2.gz ZKGLAFXOYUPEBU-PVAVHDDUSA-N 2 1 277.456 2.220 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248141126 371164104 /nfs/dbraw/zinc/16/41/04/371164104.db2.gz PRQBEYBANBKWSC-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248141126 371164108 /nfs/dbraw/zinc/16/41/08/371164108.db2.gz PRQBEYBANBKWSC-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248141126 371164113 /nfs/dbraw/zinc/16/41/13/371164113.db2.gz PRQBEYBANBKWSC-LSDHHAIUSA-N 2 1 282.428 2.136 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248405901 371187102 /nfs/dbraw/zinc/18/71/02/371187102.db2.gz BIODGFUALKTRFA-ZJPYXAASSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248409992 371188608 /nfs/dbraw/zinc/18/86/08/371188608.db2.gz CWMUYFXYLNRAQZ-MXASKKJJSA-N 2 1 274.408 2.152 20 0 CEADMP C[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248409991 371188883 /nfs/dbraw/zinc/18/88/83/371188883.db2.gz CWMUYFXYLNRAQZ-LLLHUVSDSA-N 2 1 274.408 2.152 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000358720046 371191153 /nfs/dbraw/zinc/19/11/53/371191153.db2.gz KFBBJBPEXISEGX-GXTWGEPZSA-N 2 1 294.468 2.042 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000358720046 371191158 /nfs/dbraw/zinc/19/11/58/371191158.db2.gz KFBBJBPEXISEGX-GXTWGEPZSA-N 2 1 294.468 2.042 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248539398 371207880 /nfs/dbraw/zinc/20/78/80/371207880.db2.gz ARHMDJWVZVNECF-PMPSAXMXSA-N 2 1 267.461 2.323 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C12CCC2 ZINC000344025999 217015378 /nfs/dbraw/zinc/01/53/78/217015378.db2.gz SQIATXCFVGIUCN-QLFBSQMISA-N 2 1 266.429 2.264 20 0 CEADMP COc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000639337769 371248949 /nfs/dbraw/zinc/24/89/49/371248949.db2.gz PCUXEALBIGELTR-ZDUSSCGKSA-N 2 1 295.452 2.363 20 0 CEADMP COc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000639337769 371248952 /nfs/dbraw/zinc/24/89/52/371248952.db2.gz PCUXEALBIGELTR-ZDUSSCGKSA-N 2 1 295.452 2.363 20 0 CEADMP C(C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C[C@@H]1CCO1 ZINC000639338737 371250030 /nfs/dbraw/zinc/25/00/30/371250030.db2.gz VLFOAXNCVSIINN-JKSUJKDBSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000249154198 371302651 /nfs/dbraw/zinc/30/26/51/371302651.db2.gz VYRLSIZZLREDQY-ARFHVFGLSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000249279176 371309066 /nfs/dbraw/zinc/30/90/66/371309066.db2.gz MYUQDEZGABCTOG-ZOBUZTSGSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000249279176 371309076 /nfs/dbraw/zinc/30/90/76/371309076.db2.gz MYUQDEZGABCTOG-ZOBUZTSGSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249279176 371309084 /nfs/dbraw/zinc/30/90/84/371309084.db2.gz MYUQDEZGABCTOG-ZOBUZTSGSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249279176 371309090 /nfs/dbraw/zinc/30/90/90/371309090.db2.gz MYUQDEZGABCTOG-ZOBUZTSGSA-N 2 1 276.424 2.352 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000359153829 371355875 /nfs/dbraw/zinc/35/58/75/371355875.db2.gz LZIVXKWQSYSQHS-KFWWJZLASA-N 2 1 254.418 2.408 20 0 CEADMP Cn1ccnc1[C@@H]1CC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639564901 371409372 /nfs/dbraw/zinc/40/93/72/371409372.db2.gz GTRVAWOJNSBIDH-GFCCVEGCSA-N 2 1 287.367 2.060 20 0 CEADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639564901 371409375 /nfs/dbraw/zinc/40/93/75/371409375.db2.gz GTRVAWOJNSBIDH-GFCCVEGCSA-N 2 1 287.367 2.060 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639505717 371369355 /nfs/dbraw/zinc/36/93/55/371369355.db2.gz SLHFBZADXXJVEL-CABCVRRESA-N 2 1 268.445 2.465 20 0 CEADMP C[NH+](C)C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000250368912 371383451 /nfs/dbraw/zinc/38/34/51/371383451.db2.gz ZWYMGYWVJNRUGG-GJZGRUSLSA-N 2 1 265.445 2.077 20 0 CEADMP COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252675404 371468253 /nfs/dbraw/zinc/46/82/53/371468253.db2.gz ZNALFSBLDMDVEV-GJZGRUSLSA-N 2 1 260.381 2.412 20 0 CEADMP COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252675404 371468255 /nfs/dbraw/zinc/46/82/55/371468255.db2.gz ZNALFSBLDMDVEV-GJZGRUSLSA-N 2 1 260.381 2.412 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccc(CO)o2)C[C@H]1n1ccnc1 ZINC000252802209 371481115 /nfs/dbraw/zinc/48/11/15/371481115.db2.gz HQMVKJXWFDWFEU-SWLSCSKDSA-N 2 1 275.352 2.052 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000252840714 371482377 /nfs/dbraw/zinc/48/23/77/371482377.db2.gz BTLCDMKOOYSKKX-SOUVJXGZSA-N 2 1 290.407 2.263 20 0 CEADMP OCc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639701804 371506530 /nfs/dbraw/zinc/50/65/30/371506530.db2.gz BSTSPWRNVZIHSA-UHFFFAOYSA-N 2 1 297.402 2.286 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+]([C@H]1Cc3ccccc3[C@@H]1O)CC2 ZINC000360322560 371511804 /nfs/dbraw/zinc/51/18/04/371511804.db2.gz JUMLZGNOUBHGLI-IRXDYDNUSA-N 2 1 286.419 2.205 20 0 CEADMP C[N@H+]1CCCC12CC[NH+]([C@H]1Cc3ccccc3[C@@H]1O)CC2 ZINC000360322560 371511810 /nfs/dbraw/zinc/51/18/10/371511810.db2.gz JUMLZGNOUBHGLI-IRXDYDNUSA-N 2 1 286.419 2.205 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)Cc3ccccc3)C2)CC1 ZINC000639755823 371546940 /nfs/dbraw/zinc/54/69/40/371546940.db2.gz OABUQBLTKGTBSM-QGZVFWFLSA-N 2 1 288.435 2.008 20 0 CEADMP CO[C@H](C[N@H+]1CCC2(C1)CC[NH+](C)CC2)C1CCC1 ZINC000639757254 371547179 /nfs/dbraw/zinc/54/71/79/371547179.db2.gz IEFHZRSSHFQRGX-OAHLLOKOSA-N 2 1 266.429 2.219 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639758047 371548807 /nfs/dbraw/zinc/54/88/07/371548807.db2.gz RFPUVCKTBIQOOM-UHFFFAOYSA-N 2 1 289.423 2.316 20 0 CEADMP Cc1ccc(C)c(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639762174 371550776 /nfs/dbraw/zinc/55/07/76/371550776.db2.gz HHIKTZRCKBRWOC-QGZVFWFLSA-N 2 1 276.424 2.192 20 0 CEADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639762174 371550779 /nfs/dbraw/zinc/55/07/79/371550779.db2.gz HHIKTZRCKBRWOC-QGZVFWFLSA-N 2 1 276.424 2.192 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000639763378 371551164 /nfs/dbraw/zinc/55/11/64/371551164.db2.gz RGKOGQNECVDLQR-QZTJIDSGSA-N 2 1 288.435 2.453 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000359893196 371492618 /nfs/dbraw/zinc/49/26/18/371492618.db2.gz BUEPLHNXCNYXPI-RRFJBIMHSA-N 2 1 264.413 2.042 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684212 371493804 /nfs/dbraw/zinc/49/38/04/371493804.db2.gz GMTXWIGEJAOUFL-LSDHHAIUSA-N 2 1 275.396 2.019 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC([NH+]2CCCCC2)CC1 ZINC000336821218 213703697 /nfs/dbraw/zinc/70/36/97/213703697.db2.gz GZYUHTAQRDQDKO-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP C(=C\c1ccccc1)\C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000255300384 371572680 /nfs/dbraw/zinc/57/26/80/371572680.db2.gz XCADCBMFHYSWRO-TWGQIWQCSA-N 2 1 299.462 2.413 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C)nc2)C1 ZINC000360986757 371583206 /nfs/dbraw/zinc/58/32/06/371583206.db2.gz MCMDHGHQKALLLX-QGZVFWFLSA-N 2 1 291.439 2.323 20 0 CEADMP CCc1cnccc1[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000361132455 371669178 /nfs/dbraw/zinc/66/91/78/371669178.db2.gz PRDXLWJJCUJLHH-GFCCVEGCSA-N 2 1 258.369 2.500 20 0 CEADMP C[C@H](NC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261554808 371645541 /nfs/dbraw/zinc/64/55/41/371645541.db2.gz UQIQINJEWGSLJK-JQHSSLGASA-N 2 1 287.451 2.239 20 0 CEADMP C[N@@H+](CCOc1ccc(F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261703455 371706203 /nfs/dbraw/zinc/70/62/03/371706203.db2.gz CQEJVZKRPDFZTO-HNNXBMFYSA-N 2 1 266.360 2.136 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)COC(C)C)CC1 ZINC000639988645 371717303 /nfs/dbraw/zinc/71/73/03/371717303.db2.gz WIHSXRQPHMGFPW-MRXNPFEDSA-N 2 1 298.471 2.113 20 0 CEADMP C[C@@H]1C[C@@H](NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC[NH+]1C ZINC000361215772 371719383 /nfs/dbraw/zinc/71/93/83/371719383.db2.gz KKRNWZWYGAVVRM-QXSJWSMHSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361215772 371719390 /nfs/dbraw/zinc/71/93/90/371719390.db2.gz KKRNWZWYGAVVRM-QXSJWSMHSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361215772 371719397 /nfs/dbraw/zinc/71/93/97/371719397.db2.gz KKRNWZWYGAVVRM-QXSJWSMHSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)CC[NH2+]C1 ZINC000261754468 371722264 /nfs/dbraw/zinc/72/22/64/371722264.db2.gz KMDNOLDJWPWPLS-HZPDHXFCSA-N 2 1 259.397 2.172 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@H](Nc3ccccc3)C2)CC[NH2+]C1 ZINC000261754469 371722544 /nfs/dbraw/zinc/72/25/44/371722544.db2.gz KMDNOLDJWPWPLS-JKSUJKDBSA-N 2 1 259.397 2.172 20 0 CEADMP COc1ccc2nc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)sc2c1 ZINC000261764354 371723917 /nfs/dbraw/zinc/72/39/17/371723917.db2.gz DEKBVWYUMNNQFT-MNOVXSKESA-N 2 1 291.420 2.474 20 0 CEADMP COc1ccc2nc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)sc2c1 ZINC000261764354 371723921 /nfs/dbraw/zinc/72/39/21/371723921.db2.gz DEKBVWYUMNNQFT-MNOVXSKESA-N 2 1 291.420 2.474 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1(C)C ZINC000361235936 371729609 /nfs/dbraw/zinc/72/96/09/371729609.db2.gz GCQAHAXHZVUDSK-LSDHHAIUSA-N 2 1 266.429 2.430 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1OC ZINC000261803243 371735239 /nfs/dbraw/zinc/73/52/39/371735239.db2.gz OGEXRLOKPJEHFG-MRXNPFEDSA-N 2 1 278.396 2.265 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1OC ZINC000261803243 371735246 /nfs/dbraw/zinc/73/52/46/371735246.db2.gz OGEXRLOKPJEHFG-MRXNPFEDSA-N 2 1 278.396 2.265 20 0 CEADMP Fc1cc2cccnc2c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261653583 371694570 /nfs/dbraw/zinc/69/45/70/371694570.db2.gz JZKYLQNJTGVPNC-UKRRQHHQSA-N 2 1 285.366 2.415 20 0 CEADMP Fc1cc2cccnc2c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261653583 371694574 /nfs/dbraw/zinc/69/45/74/371694574.db2.gz JZKYLQNJTGVPNC-UKRRQHHQSA-N 2 1 285.366 2.415 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c(OC)c1 ZINC000261669558 371698036 /nfs/dbraw/zinc/69/80/36/371698036.db2.gz FUWXIPDCINCZAE-SLEUVZQESA-N 2 1 278.396 2.352 20 0 CEADMP CCc1cc(OC)ccc1C[NH2+]CCC[NH+](C)C ZINC000337322924 214006469 /nfs/dbraw/zinc/00/64/69/214006469.db2.gz AEAFMULGEQBFNK-UHFFFAOYSA-N 2 1 250.386 2.299 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261982266 371790189 /nfs/dbraw/zinc/79/01/89/371790189.db2.gz RLBMBPZMIJYITI-BPUTZDHNSA-N 2 1 276.428 2.332 20 0 CEADMP Fc1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261988658 371790806 /nfs/dbraw/zinc/79/08/06/371790806.db2.gz SLXPYQOSWQNACT-XHSDSOJGSA-N 2 1 296.361 2.212 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000262159411 371831823 /nfs/dbraw/zinc/83/18/23/371831823.db2.gz UNGIHNKWYZPDSY-JKIFEVAISA-N 2 1 297.487 2.377 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1(C)CC1 ZINC000361344032 371795635 /nfs/dbraw/zinc/79/56/35/371795635.db2.gz BCDFQYAAFFZROS-KBPBESRZSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000262002244 371797481 /nfs/dbraw/zinc/79/74/81/371797481.db2.gz UEIVVECOCIKBGU-CHWSQXEVSA-N 2 1 288.370 2.181 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000262002244 371797486 /nfs/dbraw/zinc/79/74/86/371797486.db2.gz UEIVVECOCIKBGU-CHWSQXEVSA-N 2 1 288.370 2.181 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000262041837 371807746 /nfs/dbraw/zinc/80/77/46/371807746.db2.gz YKLXCAWDAYOIGS-HNNXBMFYSA-N 2 1 290.455 2.358 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000262041837 371807755 /nfs/dbraw/zinc/80/77/55/371807755.db2.gz YKLXCAWDAYOIGS-HNNXBMFYSA-N 2 1 290.455 2.358 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3ccnc3)c2)CC[N@H+]1C ZINC000361483334 371868726 /nfs/dbraw/zinc/86/87/26/371868726.db2.gz DGYNHIDQRXCTLO-ZBFHGGJFSA-N 3 1 284.407 2.445 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3ccnc3)c2)CCN1C ZINC000361483334 371868730 /nfs/dbraw/zinc/86/87/30/371868730.db2.gz DGYNHIDQRXCTLO-ZBFHGGJFSA-N 3 1 284.407 2.445 20 0 CEADMP CCC1(CO)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000344073947 217040865 /nfs/dbraw/zinc/04/08/65/217040865.db2.gz XRHOYDPDTMQOOG-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C)CC(F)(F)F)CC1 ZINC000344109167 217053590 /nfs/dbraw/zinc/05/35/90/217053590.db2.gz RBHFXNOHIYYGFD-SNVBAGLBSA-N 2 1 268.323 2.028 20 0 CEADMP C[N@H+]1CCC[C@H](CNC2=[NH+]CCCN2)[C@@H]1c1cccs1 ZINC000262700808 371899378 /nfs/dbraw/zinc/89/93/78/371899378.db2.gz YWHYQYSPEJIKPB-TZMCWYRMSA-N 2 1 292.452 2.070 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCn1ccccc1=O ZINC000640530967 372022083 /nfs/dbraw/zinc/02/20/83/372022083.db2.gz JXDOTGJRDMOELV-UHFFFAOYSA-N 2 1 291.439 2.046 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC(C)(C)O ZINC000640533175 372023512 /nfs/dbraw/zinc/02/35/12/372023512.db2.gz ODOSDQBFGJCHMI-UHFFFAOYSA-N 2 1 256.434 2.345 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000361876795 372111135 /nfs/dbraw/zinc/11/11/35/372111135.db2.gz GUTJRPXFMXGKDZ-YJBOKZPZSA-N 2 1 288.435 2.402 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344221604 217103995 /nfs/dbraw/zinc/10/39/95/217103995.db2.gz YZVVFCGPVROSBG-CJNGLKHVSA-N 2 1 299.422 2.148 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000361876795 372111142 /nfs/dbraw/zinc/11/11/42/372111142.db2.gz GUTJRPXFMXGKDZ-YJBOKZPZSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000361804384 372080290 /nfs/dbraw/zinc/08/02/90/372080290.db2.gz MWRVACHUWIZKDJ-QLFBSQMISA-N 2 1 268.445 2.248 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344221605 217105271 /nfs/dbraw/zinc/10/52/71/217105271.db2.gz YZVVFCGPVROSBG-CZUORRHYSA-N 2 1 299.422 2.148 20 0 CEADMP Cc1nc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)sc1C ZINC000361946588 372142195 /nfs/dbraw/zinc/14/21/95/372142195.db2.gz PFKJTZYYWNKHGL-MFKMUULPSA-N 2 1 267.442 2.232 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCO2)[C@@H](C)C1 ZINC000362010774 372170983 /nfs/dbraw/zinc/17/09/83/372170983.db2.gz DFZDMDISXAQJFZ-YESZJQIVSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCO)CC[N@@H+]1Cc1ccccc1 ZINC000268699127 372185818 /nfs/dbraw/zinc/18/58/18/372185818.db2.gz DQGNYCANQDLPRR-ZBFHGGJFSA-N 2 1 262.397 2.012 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCO)CC[N@H+]1Cc1ccccc1 ZINC000268699127 372185821 /nfs/dbraw/zinc/18/58/21/372185821.db2.gz DQGNYCANQDLPRR-ZBFHGGJFSA-N 2 1 262.397 2.012 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1ccnc1 ZINC000268733267 372200565 /nfs/dbraw/zinc/20/05/65/372200565.db2.gz OZYGOZPXAJXULX-FUHWJXTLSA-N 2 1 298.434 2.383 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1ccnc1 ZINC000268733267 372200576 /nfs/dbraw/zinc/20/05/76/372200576.db2.gz OZYGOZPXAJXULX-FUHWJXTLSA-N 2 1 298.434 2.383 20 0 CEADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344299105 217138576 /nfs/dbraw/zinc/13/85/76/217138576.db2.gz OLCRSIVUGBUDBK-OAHLLOKOSA-N 2 1 293.455 2.019 20 0 CEADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1C ZINC000268836392 372247628 /nfs/dbraw/zinc/24/76/28/372247628.db2.gz LXYJOSIVJBTNNF-HZPDHXFCSA-N 2 1 276.424 2.411 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000268842272 372250320 /nfs/dbraw/zinc/25/03/20/372250320.db2.gz UIENHIIBMBMYCP-CQSZACIVSA-N 2 1 292.423 2.336 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)OC(C)C)C[C@@H]1C ZINC000362180587 372260216 /nfs/dbraw/zinc/26/02/16/372260216.db2.gz INCDUPNDJKRBSA-KBPBESRZSA-N 2 1 270.417 2.133 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)OC(C)C)C[C@@H]1C ZINC000362180587 372260226 /nfs/dbraw/zinc/26/02/26/372260226.db2.gz INCDUPNDJKRBSA-KBPBESRZSA-N 2 1 270.417 2.133 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)OC(C)C)C[C@@H]1C ZINC000362180587 372260237 /nfs/dbraw/zinc/26/02/37/372260237.db2.gz INCDUPNDJKRBSA-KBPBESRZSA-N 2 1 270.417 2.133 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)OC(C)C)C[C@H]1C ZINC000362180591 372261036 /nfs/dbraw/zinc/26/10/36/372261036.db2.gz INCDUPNDJKRBSA-ZIAGYGMSSA-N 2 1 270.417 2.133 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)OC(C)C)C[C@H]1C ZINC000362180591 372261041 /nfs/dbraw/zinc/26/10/41/372261041.db2.gz INCDUPNDJKRBSA-ZIAGYGMSSA-N 2 1 270.417 2.133 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)OC(C)C)C[C@H]1C ZINC000362180591 372261044 /nfs/dbraw/zinc/26/10/44/372261044.db2.gz INCDUPNDJKRBSA-ZIAGYGMSSA-N 2 1 270.417 2.133 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@](C)(O)c1cccs1 ZINC000268964989 372303191 /nfs/dbraw/zinc/30/31/91/372303191.db2.gz GUFJSBASQZTISJ-GUIRCDHDSA-N 2 1 282.453 2.274 20 0 CEADMP CO[C@@H](C)[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000269107727 372344293 /nfs/dbraw/zinc/34/42/93/372344293.db2.gz VGTMIGOTJFMPIO-STQMWFEESA-N 2 1 292.427 2.075 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@](C)(O)c1cccs1 ZINC000268964990 372303663 /nfs/dbraw/zinc/30/36/63/372303663.db2.gz GUFJSBASQZTISJ-RGCMKSIDSA-N 2 1 282.453 2.274 20 0 CEADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000269234639 372390454 /nfs/dbraw/zinc/39/04/54/372390454.db2.gz LWGSWDZNGUOZOJ-UONOGXRCSA-N 2 1 297.830 2.042 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000344343165 217160888 /nfs/dbraw/zinc/16/08/88/217160888.db2.gz FMYRNGYGSIOROO-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000344343165 217160890 /nfs/dbraw/zinc/16/08/90/217160890.db2.gz FMYRNGYGSIOROO-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC000344396957 217181364 /nfs/dbraw/zinc/18/13/64/217181364.db2.gz UIPDMBGQOMUTED-ARFHVFGLSA-N 2 1 281.488 2.427 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC000344396957 217181365 /nfs/dbraw/zinc/18/13/65/217181365.db2.gz UIPDMBGQOMUTED-ARFHVFGLSA-N 2 1 281.488 2.427 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](CCO)CC1CCCCC1 ZINC000362593531 372446401 /nfs/dbraw/zinc/44/64/01/372446401.db2.gz WRUNTDFDBKPVJG-UHFFFAOYSA-N 2 1 279.428 2.456 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)CC1CCCCC1 ZINC000362593531 372446406 /nfs/dbraw/zinc/44/64/06/372446406.db2.gz WRUNTDFDBKPVJG-UHFFFAOYSA-N 2 1 279.428 2.456 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000344513982 217215780 /nfs/dbraw/zinc/21/57/80/217215780.db2.gz BRMSPKAUMKJMMF-NJAFHUGGSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000344513982 217215782 /nfs/dbraw/zinc/21/57/82/217215782.db2.gz BRMSPKAUMKJMMF-NJAFHUGGSA-N 2 1 288.435 2.402 20 0 CEADMP Cn1cc(-c2cccc(C[N@@H+](C)C[C@H]3CC[NH+](C)C3)c2)cn1 ZINC000364167250 372684364 /nfs/dbraw/zinc/68/43/64/372684364.db2.gz DNQNXWCJWITESL-INIZCTEOSA-N 2 1 298.434 2.471 20 0 CEADMP Cn1cc(-c2cccc(C[NH+](C)C[C@H]3CC[N@H+](C)C3)c2)cn1 ZINC000364167250 372684374 /nfs/dbraw/zinc/68/43/74/372684374.db2.gz DNQNXWCJWITESL-INIZCTEOSA-N 2 1 298.434 2.471 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(C)o1 ZINC000353400151 220063545 /nfs/dbraw/zinc/06/35/45/220063545.db2.gz DNIRGSGJGPYBHJ-FVQBIDKESA-N 2 1 277.412 2.296 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000641799333 372740017 /nfs/dbraw/zinc/74/00/17/372740017.db2.gz UXWZPEHOMANCJT-MWLCHTKSSA-N 2 1 284.306 2.177 20 0 CEADMP CCc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000641799292 372740062 /nfs/dbraw/zinc/74/00/62/372740062.db2.gz SNUJDIWRFWNXBG-XQQFMLRXSA-N 2 1 263.385 2.105 20 0 CEADMP C[C@H]1CCC(C)(C)[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000641800808 372744260 /nfs/dbraw/zinc/74/42/60/372744260.db2.gz GHLFNIZVDOTDKL-VIFPVBQESA-N 2 1 252.362 2.026 20 0 CEADMP C[C@H]1CCC(C)(C)[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000641800808 372744265 /nfs/dbraw/zinc/74/42/65/372744265.db2.gz GHLFNIZVDOTDKL-VIFPVBQESA-N 2 1 252.362 2.026 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c(F)c1 ZINC000641803071 372748750 /nfs/dbraw/zinc/74/87/50/372748750.db2.gz CVVDETIWMYXNMX-ZLKJLUDKSA-N 2 1 293.386 2.177 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000641803094 372748841 /nfs/dbraw/zinc/74/88/41/372748841.db2.gz DPJNQFMMWNYFQB-HUUCEWRRSA-N 2 1 270.380 2.088 20 0 CEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000641803923 372749642 /nfs/dbraw/zinc/74/96/42/372749642.db2.gz FYWWUCRURFTETG-RYUDHWBXSA-N 2 1 299.777 2.133 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641807760 372754876 /nfs/dbraw/zinc/75/48/76/372754876.db2.gz RVLLMELNTLCVDX-IHRRRGAJSA-N 2 1 283.460 2.033 20 0 CEADMP OCCCCC[N@H+]1CCC[C@@H]1CN1CCCCCC1 ZINC000364623045 372774198 /nfs/dbraw/zinc/77/41/98/372774198.db2.gz LQLPZQXDZRQUJL-MRXNPFEDSA-N 2 1 268.445 2.489 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000270602331 372862433 /nfs/dbraw/zinc/86/24/33/372862433.db2.gz HBDVVMWZWRFJQK-UHFFFAOYSA-N 2 1 275.400 2.064 20 0 CEADMP Cc1nn(C)c(C)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000270602331 372862438 /nfs/dbraw/zinc/86/24/38/372862438.db2.gz HBDVVMWZWRFJQK-UHFFFAOYSA-N 2 1 275.400 2.064 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000353482281 220106536 /nfs/dbraw/zinc/10/65/36/220106536.db2.gz LTMSPSNKOVZBIH-HUUCEWRRSA-N 2 1 266.433 2.372 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000353482281 220106537 /nfs/dbraw/zinc/10/65/37/220106537.db2.gz LTMSPSNKOVZBIH-HUUCEWRRSA-N 2 1 266.433 2.372 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[NH+](C)C[C@@H]1C ZINC000353489386 220111612 /nfs/dbraw/zinc/11/16/12/220111612.db2.gz JBEHQTWUWGBHMA-KKUMJFAQSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000353489386 220111616 /nfs/dbraw/zinc/11/16/16/220111616.db2.gz JBEHQTWUWGBHMA-KKUMJFAQSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000353489386 220111618 /nfs/dbraw/zinc/11/16/18/220111618.db2.gz JBEHQTWUWGBHMA-KKUMJFAQSA-N 2 1 255.450 2.037 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2nccs2)[C@H]2CCC[C@@H]21 ZINC000353491088 220115759 /nfs/dbraw/zinc/11/57/59/220115759.db2.gz IUYQKITTWGJOEB-AGIUHOORSA-N 2 1 265.426 2.148 20 0 CEADMP COCCSCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000365842497 372948709 /nfs/dbraw/zinc/94/87/09/372948709.db2.gz CFUFXMWDVDVGGA-PMPSAXMXSA-N 2 1 298.496 2.172 20 0 CEADMP COCCSCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365842497 372948712 /nfs/dbraw/zinc/94/87/12/372948712.db2.gz CFUFXMWDVDVGGA-PMPSAXMXSA-N 2 1 298.496 2.172 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353521115 220134129 /nfs/dbraw/zinc/13/41/29/220134129.db2.gz OZOMAERFSAKTBW-QBPKDAKJSA-N 2 1 279.472 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353521115 220134130 /nfs/dbraw/zinc/13/41/30/220134130.db2.gz OZOMAERFSAKTBW-QBPKDAKJSA-N 2 1 279.472 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353521115 220134133 /nfs/dbraw/zinc/13/41/33/220134133.db2.gz OZOMAERFSAKTBW-QBPKDAKJSA-N 2 1 279.472 2.181 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353521115 220134136 /nfs/dbraw/zinc/13/41/36/220134136.db2.gz OZOMAERFSAKTBW-QBPKDAKJSA-N 3 1 279.472 2.181 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353521115 220134138 /nfs/dbraw/zinc/13/41/38/220134138.db2.gz OZOMAERFSAKTBW-QBPKDAKJSA-N 3 1 279.472 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353521115 220134140 /nfs/dbraw/zinc/13/41/40/220134140.db2.gz OZOMAERFSAKTBW-QBPKDAKJSA-N 3 1 279.472 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353521115 220134143 /nfs/dbraw/zinc/13/41/43/220134143.db2.gz OZOMAERFSAKTBW-QBPKDAKJSA-N 3 1 279.472 2.181 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1ccccc1F ZINC000270975583 373042026 /nfs/dbraw/zinc/04/20/26/373042026.db2.gz DVKILPCOTZBPGN-INIZCTEOSA-N 2 1 291.370 2.386 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1ccccc1F ZINC000270975583 373042034 /nfs/dbraw/zinc/04/20/34/373042034.db2.gz DVKILPCOTZBPGN-INIZCTEOSA-N 2 1 291.370 2.386 20 0 CEADMP COc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])ccc1OC(F)F ZINC000643457108 373127493 /nfs/dbraw/zinc/12/74/93/373127493.db2.gz VTRHFEZUKWTCQR-MNOVXSKESA-N 2 1 286.322 2.266 20 0 CEADMP C(C1CC1)[N@H+]1CC[C@@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000643462661 373130324 /nfs/dbraw/zinc/13/03/24/373130324.db2.gz ABCFZMPBIFDPFQ-XMTFNYHQSA-N 2 1 291.483 2.371 20 0 CEADMP C(C1CC1)N1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000643462661 373130331 /nfs/dbraw/zinc/13/03/31/373130331.db2.gz ABCFZMPBIFDPFQ-XMTFNYHQSA-N 2 1 291.483 2.371 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462858 373131192 /nfs/dbraw/zinc/13/11/92/373131192.db2.gz OPQBAHIXNQQZAK-PVAVHDDUSA-N 2 1 279.472 2.371 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000643511414 373170815 /nfs/dbraw/zinc/17/08/15/373170815.db2.gz GYRAGPGNIHVEFJ-RRFJBIMHSA-N 2 1 254.418 2.441 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)s1 ZINC000643518418 373176373 /nfs/dbraw/zinc/17/63/73/373176373.db2.gz DVPANJWNTHGWDZ-GXFFZTMASA-N 2 1 253.415 2.492 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000643525678 373180851 /nfs/dbraw/zinc/18/08/51/373180851.db2.gz AKAZTHAUMBNXCM-PWSUYJOCSA-N 2 1 252.358 2.092 20 0 CEADMP COCCC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(F)cc1 ZINC000643527883 373184795 /nfs/dbraw/zinc/18/47/95/373184795.db2.gz UPWMJWLISJTTLU-FZMZJTMJSA-N 2 1 254.349 2.230 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCOc3ccc(F)cc3)C2)C1 ZINC000367851915 373197749 /nfs/dbraw/zinc/19/77/49/373197749.db2.gz XWOQYJWIPZGPMC-MRXNPFEDSA-N 2 1 278.371 2.232 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCOc3ccc(F)cc3)C2)C1 ZINC000367851915 373197754 /nfs/dbraw/zinc/19/77/54/373197754.db2.gz XWOQYJWIPZGPMC-MRXNPFEDSA-N 2 1 278.371 2.232 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCOc3ccc(F)cc3)C2)C1 ZINC000367851915 373197760 /nfs/dbraw/zinc/19/77/60/373197760.db2.gz XWOQYJWIPZGPMC-MRXNPFEDSA-N 2 1 278.371 2.232 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCOc3ccc(F)cc3)C2)C1 ZINC000367851915 373197765 /nfs/dbraw/zinc/19/77/65/373197765.db2.gz XWOQYJWIPZGPMC-MRXNPFEDSA-N 2 1 278.371 2.232 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(C)n1 ZINC000643546419 373203651 /nfs/dbraw/zinc/20/36/51/373203651.db2.gz ONOHHQSEKHPZFP-OCCSQVGLSA-N 2 1 274.412 2.419 20 0 CEADMP Cc1nn(C)c(Cl)c1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000368964515 373302419 /nfs/dbraw/zinc/30/24/19/373302419.db2.gz GJUMDDRKLNFGGU-UHFFFAOYSA-N 2 1 296.846 2.442 20 0 CEADMP Cc1nn(C)c(Cl)c1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000368964515 373302428 /nfs/dbraw/zinc/30/24/28/373302428.db2.gz GJUMDDRKLNFGGU-UHFFFAOYSA-N 2 1 296.846 2.442 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353595372 220181673 /nfs/dbraw/zinc/18/16/73/220181673.db2.gz JSYVDDJEZFEFBX-TYNCELHUSA-N 2 1 272.396 2.381 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353595372 220181676 /nfs/dbraw/zinc/18/16/76/220181676.db2.gz JSYVDDJEZFEFBX-TYNCELHUSA-N 2 1 272.396 2.381 20 0 CEADMP CC(C)[NH2+]CCN1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000369093382 373332996 /nfs/dbraw/zinc/33/29/96/373332996.db2.gz DNOZXSFPQRSWIY-HNNXBMFYSA-N 2 1 278.444 2.469 20 0 CEADMP Cc1[nH+]c(CNc2cc[nH+]cc2C)c2n1CCCC2 ZINC000369147828 373346343 /nfs/dbraw/zinc/34/63/43/373346343.db2.gz NJSREZWXVMHNBZ-UHFFFAOYSA-N 2 1 256.353 2.265 20 0 CEADMP CC(C)SCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369505001 373439609 /nfs/dbraw/zinc/43/96/09/373439609.db2.gz WMJVQEFWNNOUKO-INIZCTEOSA-N 2 1 299.528 2.228 20 0 CEADMP CCCCCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369586256 373463874 /nfs/dbraw/zinc/46/38/74/373463874.db2.gz XFXGVWXKKDPNMD-MRXNPFEDSA-N 2 1 267.461 2.279 20 0 CEADMP C[NH+]1CCC(NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000369704771 373493107 /nfs/dbraw/zinc/49/31/07/373493107.db2.gz RKTDYDVWDRLHGN-KRWDZBQOSA-N 2 1 279.472 2.467 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)[C@H](C)C1 ZINC000644550176 373525062 /nfs/dbraw/zinc/52/50/62/373525062.db2.gz MVQZPLFABQYLHX-NDBYEHHHSA-N 2 1 294.361 2.152 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)C[NH+](C)C ZINC000644555389 373530164 /nfs/dbraw/zinc/53/01/64/373530164.db2.gz ZQAUIZMUFIPXGQ-QWRGUYRKSA-N 2 1 277.368 2.382 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353630910 220207418 /nfs/dbraw/zinc/20/74/18/220207418.db2.gz JHVLHDAUYSVHNC-JJXSEGSLSA-N 2 1 282.472 2.492 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)CO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272441380 373486472 /nfs/dbraw/zinc/48/64/72/373486472.db2.gz IORIPCUIQZJEIC-ZMSDIMECSA-N 2 1 276.424 2.115 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000370203558 373604861 /nfs/dbraw/zinc/60/48/61/373604861.db2.gz INABMBNRZBDFBB-CVEARBPZSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@]12CCOC2 ZINC000370736782 373731613 /nfs/dbraw/zinc/73/16/13/373731613.db2.gz FNPSJZLWXSUSBE-HNNXBMFYSA-N 2 1 263.385 2.227 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@]12CCOC2 ZINC000370736782 373731618 /nfs/dbraw/zinc/73/16/18/373731618.db2.gz FNPSJZLWXSUSBE-HNNXBMFYSA-N 2 1 263.385 2.227 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@H](Nc2nc3ccc(F)cc3n2C)C1 ZINC000644863031 373748531 /nfs/dbraw/zinc/74/85/31/373748531.db2.gz CZUKVWJGXRUCJV-ZWNOBZJWSA-N 2 1 276.359 2.465 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CCC2(C1)CCOCC2 ZINC000371199348 373811704 /nfs/dbraw/zinc/81/17/04/373811704.db2.gz SUHDEKVAGDXEQQ-UHFFFAOYSA-N 2 1 277.412 2.474 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC2(C1)CCOCC2 ZINC000371199348 373811710 /nfs/dbraw/zinc/81/17/10/373811710.db2.gz SUHDEKVAGDXEQQ-UHFFFAOYSA-N 2 1 277.412 2.474 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC2(C1)CCOCC2 ZINC000371199348 373811715 /nfs/dbraw/zinc/81/17/15/373811715.db2.gz SUHDEKVAGDXEQQ-UHFFFAOYSA-N 2 1 277.412 2.474 20 0 CEADMP C[C@H](c1cnccn1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000274360781 373894644 /nfs/dbraw/zinc/89/46/44/373894644.db2.gz WHMSPAYGZTVOGF-LLVKDONJSA-N 2 1 257.341 2.140 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000371483983 373900217 /nfs/dbraw/zinc/90/02/17/373900217.db2.gz YMKCCNUVEVPYIO-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCCCn2cccn2)CC1 ZINC000372964503 374230601 /nfs/dbraw/zinc/23/06/01/374230601.db2.gz ZBPSECFSPGOTNY-MRXNPFEDSA-N 2 1 278.444 2.470 20 0 CEADMP C[C@H]1CCC[N@H+]1C1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000372749927 374189654 /nfs/dbraw/zinc/18/96/54/374189654.db2.gz MTJUQJUPRXJYPB-WCQYABFASA-N 2 1 294.361 2.248 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2c(c1)OCCO2 ZINC000276619744 374239141 /nfs/dbraw/zinc/23/91/41/374239141.db2.gz HTCWDFLNBNJMEG-LBPRGKRZSA-N 2 1 287.363 2.085 20 0 CEADMP c1cn(CCC[N@@H+]2CCC[C@H](N3CCCCC3)C2)cn1 ZINC000373222814 374299026 /nfs/dbraw/zinc/29/90/26/374299026.db2.gz DQIKTRJSGXALOM-INIZCTEOSA-N 2 1 276.428 2.224 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000645948948 374306952 /nfs/dbraw/zinc/30/69/52/374306952.db2.gz LKLYWNITIVUSRN-JKSUJKDBSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000645948948 374306959 /nfs/dbraw/zinc/30/69/59/374306959.db2.gz LKLYWNITIVUSRN-JKSUJKDBSA-N 2 1 277.412 2.473 20 0 CEADMP COc1ccccc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000276742129 374285958 /nfs/dbraw/zinc/28/59/58/374285958.db2.gz ZIQQVKPKJDDGCB-LBPRGKRZSA-N 2 1 259.353 2.322 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000645965241 374315163 /nfs/dbraw/zinc/31/51/63/374315163.db2.gz PYFCFDBPBCHKRE-OAHLLOKOSA-N 2 1 295.452 2.180 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000645965241 374315166 /nfs/dbraw/zinc/31/51/66/374315166.db2.gz PYFCFDBPBCHKRE-OAHLLOKOSA-N 2 1 295.452 2.180 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000373499325 374366425 /nfs/dbraw/zinc/36/64/25/374366425.db2.gz XBCLPLCMAKMJSJ-WFASDCNBSA-N 2 1 263.385 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000373499325 374366428 /nfs/dbraw/zinc/36/64/28/374366428.db2.gz XBCLPLCMAKMJSJ-WFASDCNBSA-N 2 1 263.385 2.081 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000277109927 374406750 /nfs/dbraw/zinc/40/67/50/374406750.db2.gz HAIOXSGKNVECMP-MRXNPFEDSA-N 2 1 299.422 2.183 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000277109927 374406754 /nfs/dbraw/zinc/40/67/54/374406754.db2.gz HAIOXSGKNVECMP-MRXNPFEDSA-N 2 1 299.422 2.183 20 0 CEADMP C([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCSC1 ZINC000373911974 374447263 /nfs/dbraw/zinc/44/72/63/374447263.db2.gz OQYSNARDLSYZSE-OLZOCXBDSA-N 2 1 254.443 2.346 20 0 CEADMP C([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCSC1 ZINC000373911974 374447270 /nfs/dbraw/zinc/44/72/70/374447270.db2.gz OQYSNARDLSYZSE-OLZOCXBDSA-N 2 1 254.443 2.346 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCC12CCOCC2 ZINC000374285376 374531538 /nfs/dbraw/zinc/53/15/38/374531538.db2.gz BLEILFBJGPVLOB-DZGCQCFKSA-N 2 1 277.412 2.376 20 0 CEADMP CC(=O)CC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374295743 374535018 /nfs/dbraw/zinc/53/50/18/374535018.db2.gz KPEGYOOBTNOEGB-AWEZNQCLSA-N 2 1 264.413 2.162 20 0 CEADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000374340037 374545202 /nfs/dbraw/zinc/54/52/02/374545202.db2.gz ZPVVPUOBZCUFDW-QBPKDAKJSA-N 2 1 298.471 2.279 20 0 CEADMP CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000374340037 374545206 /nfs/dbraw/zinc/54/52/06/374545206.db2.gz ZPVVPUOBZCUFDW-QBPKDAKJSA-N 2 1 298.471 2.279 20 0 CEADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000334179800 206152483 /nfs/dbraw/zinc/15/24/83/206152483.db2.gz BKAWERWQKGVIRF-UKRRQHHQSA-N 2 1 276.428 2.130 20 0 CEADMP Cn1cnc2cc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)ccc21 ZINC000277544295 374560899 /nfs/dbraw/zinc/56/08/99/374560899.db2.gz QMAIFJQMNGZQDD-OAHLLOKOSA-N 2 1 286.423 2.489 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)ccc21 ZINC000277544295 374560907 /nfs/dbraw/zinc/56/09/07/374560907.db2.gz QMAIFJQMNGZQDD-OAHLLOKOSA-N 2 1 286.423 2.489 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000375286731 374648650 /nfs/dbraw/zinc/64/86/50/374648650.db2.gz KYMHPXHLDCOXCL-BZUAXINKSA-N 2 1 295.471 2.003 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000376738583 374724481 /nfs/dbraw/zinc/72/44/81/374724481.db2.gz FUKZWBRDLRSULL-ILXRZTDVSA-N 2 1 277.412 2.240 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccncc1 ZINC000278403390 374806708 /nfs/dbraw/zinc/80/67/08/374806708.db2.gz DQXDNAKXWLLOSJ-LSDHHAIUSA-N 2 1 277.412 2.233 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccncc1 ZINC000278403390 374806719 /nfs/dbraw/zinc/80/67/19/374806719.db2.gz DQXDNAKXWLLOSJ-LSDHHAIUSA-N 2 1 277.412 2.233 20 0 CEADMP CCCCOC(=O)[C@@H](C)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000377262117 374826313 /nfs/dbraw/zinc/82/63/13/374826313.db2.gz NFHVYVJPIQLFFV-ZIAGYGMSSA-N 2 1 293.411 2.331 20 0 CEADMP OCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377319461 374836839 /nfs/dbraw/zinc/83/68/39/374836839.db2.gz XLIZOSICFJXDLP-QZTJIDSGSA-N 2 1 288.435 2.213 20 0 CEADMP [NH3+]CC1(CC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000252838588 189983915 /nfs/dbraw/zinc/98/39/15/189983915.db2.gz BRTAMJYNYLQRRG-GJZGRUSLSA-N 2 1 293.455 2.029 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(C)(C)C)C2)CC1 ZINC000377708274 374929761 /nfs/dbraw/zinc/92/97/61/374929761.db2.gz WZTMUYUMNZLJEC-HNNXBMFYSA-N 2 1 267.461 2.134 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(C)(C)C)C2)CC1 ZINC000377708274 374929763 /nfs/dbraw/zinc/92/97/63/374929763.db2.gz WZTMUYUMNZLJEC-HNNXBMFYSA-N 2 1 267.461 2.134 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@H]3CCC=CO3)C2)CC1 ZINC000377885877 374973485 /nfs/dbraw/zinc/97/34/85/374973485.db2.gz VUJVOFXJHVBTNJ-HZPDHXFCSA-N 2 1 264.413 2.343 20 0 CEADMP Cc1ncccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000378366752 375083974 /nfs/dbraw/zinc/08/39/74/375083974.db2.gz BPPIZHOTSRRBFT-BRWVUGGUSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ncccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000378366752 375083978 /nfs/dbraw/zinc/08/39/78/375083978.db2.gz BPPIZHOTSRRBFT-BRWVUGGUSA-N 2 1 289.423 2.074 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000379635074 375153876 /nfs/dbraw/zinc/15/38/76/375153876.db2.gz VYGHAFNADCQCND-NJAFHUGGSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379651489 375157052 /nfs/dbraw/zinc/15/70/52/375157052.db2.gz UPEHDZZJAOBMHX-KKUMJFAQSA-N 2 1 264.413 2.256 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000386139540 375253553 /nfs/dbraw/zinc/25/35/53/375253553.db2.gz NITLTMOYURHCIY-ILXRZTDVSA-N 2 1 256.434 2.103 20 0 CEADMP c1n[nH]cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684410249 541997517 /nfs/dbraw/zinc/99/75/17/541997517.db2.gz BZYXGBFPIAOYBY-HNNXBMFYSA-N 2 1 270.380 2.021 20 0 CEADMP c1n[nH]cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000684410249 541997521 /nfs/dbraw/zinc/99/75/21/541997521.db2.gz BZYXGBFPIAOYBY-HNNXBMFYSA-N 2 1 270.380 2.021 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC000283922227 375781122 /nfs/dbraw/zinc/78/11/22/375781122.db2.gz KEUMYZYAXJWOLH-LJQANCHMSA-N 2 1 299.462 2.431 20 0 CEADMP CCc1nc(N2CCC([NH2+]C3CC3)CC2)cc(C)[nH+]1 ZINC000283869711 375774747 /nfs/dbraw/zinc/77/47/47/375774747.db2.gz UVOQLIGUVOXQKV-UHFFFAOYSA-N 2 1 260.385 2.068 20 0 CEADMP CC[N@H+]1CCN(Cc2ncc(C)c(OC)c2C)[C@H](C)C1 ZINC000286261278 375889939 /nfs/dbraw/zinc/88/99/39/375889939.db2.gz AYVZZXVOXOIRCN-CYBMUJFWSA-N 2 1 277.412 2.233 20 0 CEADMP CC[N@H+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)[C@H](C)C1 ZINC000286261278 375889951 /nfs/dbraw/zinc/88/99/51/375889951.db2.gz AYVZZXVOXOIRCN-CYBMUJFWSA-N 2 1 277.412 2.233 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2C2CCOCC2)CC[NH2+]1 ZINC000414759122 375952263 /nfs/dbraw/zinc/95/22/63/375952263.db2.gz NUAKOAKWWQJISF-YCPHGPKFSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[C@]1(CO)CCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414760566 375952799 /nfs/dbraw/zinc/95/27/99/375952799.db2.gz QXKCUJUBMJTZKD-SOUVJXGZSA-N 2 1 254.418 2.002 20 0 CEADMP COCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCCSC1 ZINC000414760219 375952869 /nfs/dbraw/zinc/95/28/69/375952869.db2.gz GRIWCEVPWBXPQO-RRFJBIMHSA-N 2 1 286.485 2.219 20 0 CEADMP CC[C@H]1C[C@@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCO1 ZINC000414762777 375955138 /nfs/dbraw/zinc/95/51/38/375955138.db2.gz BBVZLIOIMKZVPS-JONQDZQNSA-N 2 1 266.429 2.123 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414764876 375955365 /nfs/dbraw/zinc/95/53/65/375955365.db2.gz DUBSMENONBOVHJ-GASCZTMLSA-N 2 1 284.407 2.074 20 0 CEADMP CCOc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1OC ZINC000414767000 375956783 /nfs/dbraw/zinc/95/67/83/375956783.db2.gz FKILSMDDFASDEY-UHFFFAOYSA-N 2 1 264.369 2.015 20 0 CEADMP CCOc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1OC ZINC000414767000 375956787 /nfs/dbraw/zinc/95/67/87/375956787.db2.gz FKILSMDDFASDEY-UHFFFAOYSA-N 2 1 264.369 2.015 20 0 CEADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414782288 375966167 /nfs/dbraw/zinc/96/61/67/375966167.db2.gz OIBNRYOIPVETRX-WBVHZDCISA-N 2 1 288.435 2.477 20 0 CEADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CC[NH2+]CC1 ZINC000414791914 375973656 /nfs/dbraw/zinc/97/36/56/375973656.db2.gz RJWWEQUAYCAQLA-UHFFFAOYSA-N 2 1 284.407 2.331 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)C1CC1 ZINC000414793770 375974624 /nfs/dbraw/zinc/97/46/24/375974624.db2.gz DXNFHLMBWHIVBC-CYBMUJFWSA-N 2 1 270.323 2.157 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414679158 375913068 /nfs/dbraw/zinc/91/30/68/375913068.db2.gz LFMFBINDTXRCOZ-GJZGRUSLSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)N1CCC([N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414679158 375913075 /nfs/dbraw/zinc/91/30/75/375913075.db2.gz LFMFBINDTXRCOZ-GJZGRUSLSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)N1CCC([N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414679158 375913080 /nfs/dbraw/zinc/91/30/80/375913080.db2.gz LFMFBINDTXRCOZ-GJZGRUSLSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CCCCC1 ZINC000414679315 375913374 /nfs/dbraw/zinc/91/33/74/375913374.db2.gz ZIFYQDXAEZQGLL-OAHLLOKOSA-N 2 1 295.471 2.227 20 0 CEADMP CCOC(=O)CC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414680445 375914732 /nfs/dbraw/zinc/91/47/32/375914732.db2.gz UDLXJYJBKJROEQ-AWEZNQCLSA-N 2 1 270.417 2.025 20 0 CEADMP C[C@@H](c1cccnc1)[NH+]1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414694735 375922607 /nfs/dbraw/zinc/92/26/07/375922607.db2.gz NPWVKPWKBISWQJ-HNNXBMFYSA-N 2 1 290.455 2.148 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)CC[NH2+]1 ZINC000414694802 375923445 /nfs/dbraw/zinc/92/34/45/375923445.db2.gz FZFZRRWBKIQWEP-OAGGEKHMSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H](C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)CC[NH2+]1 ZINC000414694802 375923449 /nfs/dbraw/zinc/92/34/49/375923449.db2.gz FZFZRRWBKIQWEP-OAGGEKHMSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H](C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)CC[NH2+]1 ZINC000414694802 375923456 /nfs/dbraw/zinc/92/34/56/375923456.db2.gz FZFZRRWBKIQWEP-OAGGEKHMSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+](C)CC[C@@H]2CCCCN2C)CC[NH2+]1 ZINC000414694802 375923461 /nfs/dbraw/zinc/92/34/61/375923461.db2.gz FZFZRRWBKIQWEP-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)CC[C@@H]2CCCCN2C)CC[NH2+]1 ZINC000414694802 375923465 /nfs/dbraw/zinc/92/34/65/375923465.db2.gz FZFZRRWBKIQWEP-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[C@@]1(C)CCC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414697180 375924267 /nfs/dbraw/zinc/92/42/67/375924267.db2.gz IFFNEOCFYFOZCG-RDJZCZTQSA-N 2 1 295.471 2.086 20 0 CEADMP CC(C)C[C@@H]1COCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414703801 375929679 /nfs/dbraw/zinc/92/96/79/375929679.db2.gz VUBLHYKKDUPDFP-SOUVJXGZSA-N 2 1 254.418 2.121 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414704660 375931463 /nfs/dbraw/zinc/93/14/63/375931463.db2.gz KROYRHBQFZGVSL-XHSDSOJGSA-N 3 1 267.461 2.038 20 0 CEADMP CC(C)CO[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414707149 375932480 /nfs/dbraw/zinc/93/24/80/375932480.db2.gz MOJFSELVMMXWJS-QLFBSQMISA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000414736362 375943568 /nfs/dbraw/zinc/94/35/68/375943568.db2.gz HRJHDIWSVPISBJ-HUUCEWRRSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000414806112 375991694 /nfs/dbraw/zinc/99/16/94/375991694.db2.gz ZHYSFZFWDCOTPA-AWEZNQCLSA-N 2 1 261.344 2.447 20 0 CEADMP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000414805529 375992000 /nfs/dbraw/zinc/99/20/00/375992000.db2.gz YURCREABLULOJR-OAHLLOKOSA-N 2 1 288.395 2.158 20 0 CEADMP C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414808717 375994604 /nfs/dbraw/zinc/99/46/04/375994604.db2.gz SRSNLPQXPJVGCQ-NHYWBVRUSA-N 2 1 250.361 2.474 20 0 CEADMP C[C@H](C[C@@H]1CCC[NH2+]1)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000414816576 376001656 /nfs/dbraw/zinc/00/16/56/376001656.db2.gz QCMROVIFIXHNDL-WWGRRREGSA-N 2 1 261.413 2.327 20 0 CEADMP C1CC1[C@@H]1CCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415054894 376019826 /nfs/dbraw/zinc/01/98/26/376019826.db2.gz NZRLQHKVMSDNBQ-FOIPXRHGSA-N 2 1 291.483 2.371 20 0 CEADMP C1CC1[C@H]1CCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415054897 376019945 /nfs/dbraw/zinc/01/99/45/376019945.db2.gz NZRLQHKVMSDNBQ-OPQOLIRYSA-N 2 1 291.483 2.371 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000414802293 375987388 /nfs/dbraw/zinc/98/73/88/375987388.db2.gz VLGNZUQKOOZHCI-UAGQMJEPSA-N 2 1 275.440 2.080 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000414802293 375987397 /nfs/dbraw/zinc/98/73/97/375987397.db2.gz VLGNZUQKOOZHCI-UAGQMJEPSA-N 2 1 275.440 2.080 20 0 CEADMP Cc1cc(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)n(C)n1 ZINC000417962846 376223937 /nfs/dbraw/zinc/22/39/37/376223937.db2.gz ZZGYYAVQJHPUTR-HNNXBMFYSA-N 2 1 278.444 2.186 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)n(C)n1 ZINC000417962846 376223939 /nfs/dbraw/zinc/22/39/39/376223939.db2.gz ZZGYYAVQJHPUTR-HNNXBMFYSA-N 2 1 278.444 2.186 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)n(C)n1 ZINC000417962846 376223942 /nfs/dbraw/zinc/22/39/42/376223942.db2.gz ZZGYYAVQJHPUTR-HNNXBMFYSA-N 2 1 278.444 2.186 20 0 CEADMP COc1ccncc1CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000287934770 376343817 /nfs/dbraw/zinc/34/38/17/376343817.db2.gz XASGAAPLLOBZQS-TZMCWYRMSA-N 2 1 263.385 2.005 20 0 CEADMP C[N@@H+](CCOCC1CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000419278271 376425012 /nfs/dbraw/zinc/42/50/12/376425012.db2.gz NBBLJCJKTDUOML-XYPWUTKMSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](CCOCC1CCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000419278271 376425016 /nfs/dbraw/zinc/42/50/16/376425016.db2.gz NBBLJCJKTDUOML-XYPWUTKMSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](CCOCC1CCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000419278271 376425022 /nfs/dbraw/zinc/42/50/22/376425022.db2.gz NBBLJCJKTDUOML-XYPWUTKMSA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](CCOCC2CCC2)CC1 ZINC000419304211 376437371 /nfs/dbraw/zinc/43/73/71/376437371.db2.gz JPNAEAHXXXGOJS-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOCC2CCC2)CC1 ZINC000419304211 376437378 /nfs/dbraw/zinc/43/73/78/376437378.db2.gz JPNAEAHXXXGOJS-OAHLLOKOSA-N 2 1 254.418 2.219 20 0 CEADMP CN(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000263863954 190082520 /nfs/dbraw/zinc/08/25/20/190082520.db2.gz XSQLTFNHAQHJFV-CVEARBPZSA-N 2 1 273.424 2.469 20 0 CEADMP C[C@]1(CNCc2ncc[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309749564 376602330 /nfs/dbraw/zinc/60/23/30/376602330.db2.gz VPQUVSNTBXLOOT-QGZVFWFLSA-N 2 1 284.407 2.412 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309742906 376603299 /nfs/dbraw/zinc/60/32/99/376603299.db2.gz WPNBFEVLQJCULN-HOCLYGCPSA-N 2 1 276.424 2.258 20 0 CEADMP CC(C)c1cc(N2CCC[C@@H]([C@H](C)[NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420194871 376604818 /nfs/dbraw/zinc/60/48/18/376604818.db2.gz VJPMEMMHQDJVEV-QWHCGFSZSA-N 2 1 291.443 2.230 20 0 CEADMP CC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310022225 376612556 /nfs/dbraw/zinc/61/25/56/376612556.db2.gz SIDJGASGZRIOMK-OKZBNKHCSA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@@H](O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310022225 376612559 /nfs/dbraw/zinc/61/25/59/376612559.db2.gz SIDJGASGZRIOMK-OKZBNKHCSA-N 2 1 288.435 2.211 20 0 CEADMP CC[C@@H](O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310022225 376612566 /nfs/dbraw/zinc/61/25/66/376612566.db2.gz SIDJGASGZRIOMK-OKZBNKHCSA-N 2 1 288.435 2.211 20 0 CEADMP CCCN(c1cc(C(C)C)[nH+]c(N(C)C)n1)[C@H]1CC[NH2+]C1 ZINC000420216612 376624224 /nfs/dbraw/zinc/62/42/24/376624224.db2.gz MIFYEUWMDGCFTG-ZDUSSCGKSA-N 2 1 291.443 2.244 20 0 CEADMP CC1(C)CCC[NH2+][C@@H]1CNc1cc(NC2CC2)[nH+]cn1 ZINC000420234135 376642298 /nfs/dbraw/zinc/64/22/98/376642298.db2.gz AVNNXXCVQNQJPK-GFCCVEGCSA-N 2 1 275.400 2.241 20 0 CEADMP Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000312873217 376731661 /nfs/dbraw/zinc/73/16/61/376731661.db2.gz UMVTUWYASMBCPD-HNNXBMFYSA-N 2 1 278.440 2.352 20 0 CEADMP CCC[C@]1(CO)CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000290250205 376704387 /nfs/dbraw/zinc/70/43/87/376704387.db2.gz VRTLDDVEULDFBK-INIZCTEOSA-N 2 1 273.380 2.319 20 0 CEADMP O[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C2(CCC2)C1 ZINC000420990871 376763701 /nfs/dbraw/zinc/76/37/01/376763701.db2.gz GWMFJQRMTJYWNI-HNNXBMFYSA-N 2 1 266.429 2.242 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2C[C@@H](O)C2)C1 ZINC000420915926 376735999 /nfs/dbraw/zinc/73/59/99/376735999.db2.gz NEKYLJONKVEPPF-TWMKSMIVSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2C[C@@H](O)C2)C1 ZINC000420915926 376736004 /nfs/dbraw/zinc/73/60/04/376736004.db2.gz NEKYLJONKVEPPF-TWMKSMIVSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H](O)C2)C1 ZINC000420915926 376736008 /nfs/dbraw/zinc/73/60/08/376736008.db2.gz NEKYLJONKVEPPF-TWMKSMIVSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000314558453 376777023 /nfs/dbraw/zinc/77/70/23/376777023.db2.gz KBTVHMISVGWLIX-IIAWOOMASA-N 2 1 289.423 2.476 20 0 CEADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000314558453 376777028 /nfs/dbraw/zinc/77/70/28/376777028.db2.gz KBTVHMISVGWLIX-IIAWOOMASA-N 2 1 289.423 2.476 20 0 CEADMP CCc1nn(C)c(Cl)c1C[N@H+](C)CCCn1ccnc1 ZINC000290494610 376803602 /nfs/dbraw/zinc/80/36/02/376803602.db2.gz OSQLCCUZIGTNJL-UHFFFAOYSA-N 2 1 295.818 2.355 20 0 CEADMP Fc1ccc(/C=C/C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000685420874 542135726 /nfs/dbraw/zinc/13/57/26/542135726.db2.gz YHRPGPVNOMSLDP-DQOPJHAQSA-N 2 1 264.319 2.129 20 0 CEADMP Fc1ccc(/C=C/C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000685420874 542135732 /nfs/dbraw/zinc/13/57/32/542135732.db2.gz YHRPGPVNOMSLDP-DQOPJHAQSA-N 2 1 264.319 2.129 20 0 CEADMP Cc1nc(F)ccc1CN1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000290514666 376814843 /nfs/dbraw/zinc/81/48/43/376814843.db2.gz PRSUVPPBHGHSTM-CABCVRRESA-N 2 1 277.387 2.445 20 0 CEADMP Cc1ccncc1CCCN1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000290554369 376830850 /nfs/dbraw/zinc/83/08/50/376830850.db2.gz ZGEBTOYDADFAPW-WBVHZDCISA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccncc1CCCN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000290554369 376830857 /nfs/dbraw/zinc/83/08/57/376830857.db2.gz ZGEBTOYDADFAPW-WBVHZDCISA-N 2 1 273.424 2.349 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328656013 376874471 /nfs/dbraw/zinc/87/44/71/376874471.db2.gz YYMBUEWSWVLRFB-LBPRGKRZSA-N 2 1 287.411 2.256 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000422961002 376886692 /nfs/dbraw/zinc/88/66/92/376886692.db2.gz AKSYBXZFZFOYQD-PMPSAXMXSA-N 2 1 291.439 2.394 20 0 CEADMP C[C@@H](NC[C@@H](c1ccco1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422961152 376887244 /nfs/dbraw/zinc/88/72/44/376887244.db2.gz AUVNEZYNKWPCGN-MCIONIFRSA-N 2 1 265.401 2.003 20 0 CEADMP CNC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000562478955 376907051 /nfs/dbraw/zinc/90/70/51/376907051.db2.gz RPWZNPJCXFAZEF-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CNC(=O)CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000562478955 376907058 /nfs/dbraw/zinc/90/70/58/376907058.db2.gz RPWZNPJCXFAZEF-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000422995889 376913369 /nfs/dbraw/zinc/91/33/69/376913369.db2.gz ZSKFVEIRMBFICW-VXGBXAGGSA-N 2 1 250.390 2.214 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422997335 376914813 /nfs/dbraw/zinc/91/48/13/376914813.db2.gz NPKJEQUGGOOLOB-CABCVRRESA-N 3 1 255.450 2.214 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCC[NH3+] ZINC000422997335 376914815 /nfs/dbraw/zinc/91/48/15/376914815.db2.gz NPKJEQUGGOOLOB-CABCVRRESA-N 3 1 255.450 2.214 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422998165 376915237 /nfs/dbraw/zinc/91/52/37/376915237.db2.gz CKZDRVOTZOKRRM-IHRRRGAJSA-N 2 1 256.434 2.150 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)nc21)[C@@H]1CCC[NH2+]1 ZINC000423003330 376922134 /nfs/dbraw/zinc/92/21/34/376922134.db2.gz HKETUTVACDNNKP-KKUMJFAQSA-N 2 1 276.428 2.189 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423014604 376929278 /nfs/dbraw/zinc/92/92/78/376929278.db2.gz IYQUVKXXQKDIKN-DOMZBBRYSA-N 2 1 284.350 2.384 20 0 CEADMP Cc1csc([C@@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)n1 ZINC000423035730 376943724 /nfs/dbraw/zinc/94/37/24/376943724.db2.gz JVZBSBVSAGOJCJ-ZMLRMANQSA-N 2 1 253.415 2.285 20 0 CEADMP CC1=CC[N@@H+](CCN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000423040482 376945881 /nfs/dbraw/zinc/94/58/81/376945881.db2.gz UHALXIKNMGFXLF-WMZOPIPTSA-N 2 1 287.451 2.187 20 0 CEADMP CSCCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423056053 376949500 /nfs/dbraw/zinc/94/95/00/376949500.db2.gz WVWGZLWVZGYHMF-RRFJBIMHSA-N 2 1 286.485 2.266 20 0 CEADMP Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000423056214 376951218 /nfs/dbraw/zinc/95/12/18/376951218.db2.gz FOCBOAOPVCYULU-ZFWWWQNUSA-N 2 1 285.391 2.057 20 0 CEADMP C[C@H](O)[C@@](C)(C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423069707 376961540 /nfs/dbraw/zinc/96/15/40/376961540.db2.gz FCTXIBHKUUZABJ-UOVPBQLFSA-N 2 1 290.451 2.346 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c[nH]c2nccnc12 ZINC000290910650 376979300 /nfs/dbraw/zinc/97/93/00/376979300.db2.gz PEZXROSEFQMWRI-UHFFFAOYSA-N 2 1 284.367 2.033 20 0 CEADMP C[C@@H](NCC[N@H+]1CCCC(C)(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423074251 376967550 /nfs/dbraw/zinc/96/75/50/376967550.db2.gz LIKIMWDACSKNAJ-CABCVRRESA-N 2 1 267.461 2.229 20 0 CEADMP CC[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423120026 377014607 /nfs/dbraw/zinc/01/46/07/377014607.db2.gz FQROAEGLYZGWBQ-XLAORIBOSA-N 2 1 288.435 2.273 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423133238 377032802 /nfs/dbraw/zinc/03/28/02/377032802.db2.gz CNEFSQRSMPQMBH-RBSFLKMASA-N 2 1 255.450 2.227 20 0 CEADMP Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)C2 ZINC000423138013 377037388 /nfs/dbraw/zinc/03/73/88/377037388.db2.gz ITGNDFAIGVVLKU-JSGCOSHPSA-N 2 1 283.375 2.457 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)CCC[NH3+] ZINC000423147613 377046303 /nfs/dbraw/zinc/04/63/03/377046303.db2.gz SITVGOXEXOIGBS-CABCVRRESA-N 3 1 255.450 2.214 20 0 CEADMP CC[C@@H]([NH2+]CC(C)(C)c1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000423148682 377049289 /nfs/dbraw/zinc/04/92/89/377049289.db2.gz WHUYBLWXJXZYDU-KGLIPLIRSA-N 2 1 261.413 2.479 20 0 CEADMP COc1ccc([C@H](CN(C)C)[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000423099171 376991788 /nfs/dbraw/zinc/99/17/88/376991788.db2.gz FBIXNLYUJHNLNR-ZENOOKHLSA-N 2 1 279.428 2.013 20 0 CEADMP C[C@@H]([NH2+]CC1(C(F)(F)F)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423101323 376993863 /nfs/dbraw/zinc/99/38/63/376993863.db2.gz CQWJDEZMAXHMRV-ZJUUUORDSA-N 2 1 250.308 2.449 20 0 CEADMP Cc1cc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)n(C)n1 ZINC000423108047 377000309 /nfs/dbraw/zinc/00/03/09/377000309.db2.gz QQRWELSAGACHFN-OCCSQVGLSA-N 2 1 264.417 2.129 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000423106694 377000911 /nfs/dbraw/zinc/00/09/11/377000911.db2.gz OTIOEPMOLYWAJA-NEPJUHHUSA-N 2 1 285.338 2.433 20 0 CEADMP COc1cccc(C(F)(F)C[NH2+]C2CCC([NH3+])CC2)n1 ZINC000423108660 377002398 /nfs/dbraw/zinc/00/23/98/377002398.db2.gz MNCJVHIHFFKANJ-UHFFFAOYSA-N 2 1 285.338 2.042 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000423109391 377002428 /nfs/dbraw/zinc/00/24/28/377002428.db2.gz NRJANLRAIHFJMZ-BQUFFADESA-N 2 1 254.324 2.188 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)[C@H]1CCC[NH2+]1 ZINC000423114897 377009665 /nfs/dbraw/zinc/00/96/65/377009665.db2.gz MLWYBSPKJDGRBG-DDHJBXDOSA-N 2 1 262.344 2.267 20 0 CEADMP F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000563155043 377108946 /nfs/dbraw/zinc/10/89/46/377108946.db2.gz ZAUBOENAYPIYGT-GZBLMMOJSA-N 2 1 270.392 2.014 20 0 CEADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1OC ZINC000423197365 377112531 /nfs/dbraw/zinc/11/25/31/377112531.db2.gz ZCLNEHSAHNNRJZ-HIFRSBDPSA-N 2 1 292.423 2.285 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)c1cccnc1)[C@H]1CCCC[NH2+]1 ZINC000423182340 377094418 /nfs/dbraw/zinc/09/44/18/377094418.db2.gz LPJXPDLPIQUBCM-DZGCQCFKSA-N 2 1 261.413 2.479 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423183020 377095339 /nfs/dbraw/zinc/09/53/39/377095339.db2.gz MIASIAXUVPNAGN-INWMFGNUSA-N 2 1 277.387 2.135 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)C12CCC2 ZINC000563109196 377096599 /nfs/dbraw/zinc/09/65/99/377096599.db2.gz DZWRIJFWZNJNSZ-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423221081 377137464 /nfs/dbraw/zinc/13/74/64/377137464.db2.gz ZEZUXZJYUMPTRW-GHMZBOCLSA-N 2 1 254.399 2.407 20 0 CEADMP C[C@@H](NCC[C@H](C)[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423222810 377139274 /nfs/dbraw/zinc/13/92/74/377139274.db2.gz CSWOSWQBYABIFK-ZMSDIMECSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423222810 377139280 /nfs/dbraw/zinc/13/92/80/377139280.db2.gz CSWOSWQBYABIFK-ZMSDIMECSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423222810 377139286 /nfs/dbraw/zinc/13/92/86/377139286.db2.gz CSWOSWQBYABIFK-ZMSDIMECSA-N 3 1 275.440 2.224 20 0 CEADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C1(C)C ZINC000423230221 377148523 /nfs/dbraw/zinc/14/85/23/377148523.db2.gz CZSHAVHFLJPQOK-MGPQQGTHSA-N 2 1 254.418 2.312 20 0 CEADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423230524 377148563 /nfs/dbraw/zinc/14/85/63/377148563.db2.gz DXLGVHHQQMIDFM-BFHYXJOUSA-N 2 1 254.418 2.168 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000423274818 377196790 /nfs/dbraw/zinc/19/67/90/377196790.db2.gz MNYMRWWFDMAIDM-RHSMWYFYSA-N 2 1 291.439 2.157 20 0 CEADMP C[NH2+]C[C@@H](C)CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423274622 377197039 /nfs/dbraw/zinc/19/70/39/377197039.db2.gz MEGJTOPZJYADKI-HUUCEWRRSA-N 2 1 293.455 2.133 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@H]([NH3+])c2ccccc2)[C@H]2CCC[C@H]21 ZINC000423241065 377160315 /nfs/dbraw/zinc/16/03/15/377160315.db2.gz CVSCADZSLLFSAD-LTIDMASMSA-N 2 1 273.424 2.149 20 0 CEADMP C[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423250565 377170491 /nfs/dbraw/zinc/17/04/91/377170491.db2.gz UNBWFQNDQVYWOO-KURKYZTESA-N 2 1 287.451 2.239 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000423255624 377175304 /nfs/dbraw/zinc/17/53/04/377175304.db2.gz AJVZTLAGVPNJLV-VXGBXAGGSA-N 2 1 266.433 2.453 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@@H](C[NH3+])CC(C)C)CC2)n1 ZINC000423259696 377180160 /nfs/dbraw/zinc/18/01/60/377180160.db2.gz FPEKZSFFENOXHV-JXQTWKCFSA-N 2 1 280.416 2.367 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000423265598 377185159 /nfs/dbraw/zinc/18/51/59/377185159.db2.gz CISCJARLYOIXCQ-QWRGUYRKSA-N 2 1 284.375 2.349 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](COC)c1cccc(Cl)c1 ZINC000423269548 377189344 /nfs/dbraw/zinc/18/93/44/377189344.db2.gz HEGRUMLAAAGOLL-BXUZGUMPSA-N 2 1 270.804 2.473 20 0 CEADMP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(C(=O)OC)cc1 ZINC000423282788 377208705 /nfs/dbraw/zinc/20/87/05/377208705.db2.gz WHVRRRGXTLMGEJ-GJZGRUSLSA-N 2 1 278.396 2.497 20 0 CEADMP CCc1nc2c(s1)[C@@H]([NH2+]CC(C)(C)[NH3+])CCC2 ZINC000423286380 377214173 /nfs/dbraw/zinc/21/41/73/377214173.db2.gz GXPLIYYFLJKORN-VIFPVBQESA-N 2 1 253.415 2.410 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000423293715 377221502 /nfs/dbraw/zinc/22/15/02/377221502.db2.gz AOSWXEIQSRLREF-NXEZZACHSA-N 2 1 280.803 2.472 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423337383 377267923 /nfs/dbraw/zinc/26/79/23/377267923.db2.gz VKWZMUIQCGDFQS-CQSZACIVSA-N 3 1 291.439 2.159 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CCS2 ZINC000423302207 377231943 /nfs/dbraw/zinc/23/19/43/377231943.db2.gz JHIRCTLZTDNISH-ZDUSSCGKSA-N 2 1 264.394 2.041 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423303178 377232655 /nfs/dbraw/zinc/23/26/55/377232655.db2.gz WRFKPPQSEBWFKJ-LJISPDSOSA-N 2 1 266.429 2.441 20 0 CEADMP CCC[NH2+]CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423312390 377239891 /nfs/dbraw/zinc/23/98/91/377239891.db2.gz RSVWEMXHEMAXLG-AEFFLSMTSA-N 3 1 289.467 2.486 20 0 CEADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423311701 377241441 /nfs/dbraw/zinc/24/14/41/377241441.db2.gz CGSQPVJEAKRYRB-IAGOWNOFSA-N 2 1 299.422 2.045 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000423316426 377245871 /nfs/dbraw/zinc/24/58/71/377245871.db2.gz ASUNXCRCGRXECY-UONOGXRCSA-N 2 1 289.423 2.168 20 0 CEADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423317530 377247224 /nfs/dbraw/zinc/24/72/24/377247224.db2.gz CJUHEAODAYHMRX-CXAGYDPISA-N 2 1 285.391 2.311 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423318181 377248250 /nfs/dbraw/zinc/24/82/50/377248250.db2.gz CVBGAIOOWVOPRT-VHDGCEQUSA-N 2 1 262.397 2.307 20 0 CEADMP CCC[NH2+]CCN[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423318903 377250599 /nfs/dbraw/zinc/25/05/99/377250599.db2.gz ZOCAMHWDLFBKBT-RDJZCZTQSA-N 2 1 275.440 2.239 20 0 CEADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423321645 377253140 /nfs/dbraw/zinc/25/31/40/377253140.db2.gz NHWSZCMBFOAZRC-BMIGLBTASA-N 2 1 261.369 2.033 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(C)c1OC ZINC000423275632 377200285 /nfs/dbraw/zinc/20/02/85/377200285.db2.gz MAEFWDDQSSCTRP-SMDDNHRTSA-N 2 1 278.396 2.400 20 0 CEADMP Cc1nc(C)c(C[N@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000685569152 542159876 /nfs/dbraw/zinc/15/98/76/542159876.db2.gz UCZQEEVQWDNEJV-UHFFFAOYSA-N 2 1 262.357 2.318 20 0 CEADMP Cc1nc(C)c(C[N@@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000685569152 542159881 /nfs/dbraw/zinc/15/98/81/542159881.db2.gz UCZQEEVQWDNEJV-UHFFFAOYSA-N 2 1 262.357 2.318 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](CC3=Cc4ccccc4OC3)C2)C1 ZINC000292839261 377306759 /nfs/dbraw/zinc/30/67/59/377306759.db2.gz SAWGDUFFFGGLPR-SFHVURJKSA-N 2 1 284.403 2.490 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CC3=Cc4ccccc4OC3)C2)C1 ZINC000292839261 377306763 /nfs/dbraw/zinc/30/67/63/377306763.db2.gz SAWGDUFFFGGLPR-SFHVURJKSA-N 2 1 284.403 2.490 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CC3=Cc4ccccc4OC3)C2)C1 ZINC000292839261 377306768 /nfs/dbraw/zinc/30/67/68/377306768.db2.gz SAWGDUFFFGGLPR-SFHVURJKSA-N 2 1 284.403 2.490 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](CC3=Cc4ccccc4OC3)C2)C1 ZINC000292839261 377306774 /nfs/dbraw/zinc/30/67/74/377306774.db2.gz SAWGDUFFFGGLPR-SFHVURJKSA-N 2 1 284.403 2.490 20 0 CEADMP Cc1ccccc1C(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000293056738 377409134 /nfs/dbraw/zinc/40/91/34/377409134.db2.gz RYJRXZISVIJMRY-HNNXBMFYSA-N 2 1 276.424 2.275 20 0 CEADMP Cc1ccccc1C(C)(C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000293056738 377409141 /nfs/dbraw/zinc/40/91/41/377409141.db2.gz RYJRXZISVIJMRY-HNNXBMFYSA-N 2 1 276.424 2.275 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000564948874 377511898 /nfs/dbraw/zinc/51/18/98/377511898.db2.gz MJCUORIGNYXDFB-CABCVRRESA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000564948881 377512088 /nfs/dbraw/zinc/51/20/88/377512088.db2.gz MJCUORIGNYXDFB-GJZGRUSLSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000564948882 377512148 /nfs/dbraw/zinc/51/21/48/377512148.db2.gz MJCUORIGNYXDFB-HUUCEWRRSA-N 2 1 295.471 2.144 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000565092705 377554773 /nfs/dbraw/zinc/55/47/73/377554773.db2.gz DIDUFAQWRDXZCW-INIZCTEOSA-N 2 1 287.451 2.106 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000565092705 377554784 /nfs/dbraw/zinc/55/47/84/377554784.db2.gz DIDUFAQWRDXZCW-INIZCTEOSA-N 3 1 287.451 2.106 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000565092705 377554793 /nfs/dbraw/zinc/55/47/93/377554793.db2.gz DIDUFAQWRDXZCW-INIZCTEOSA-N 3 1 287.451 2.106 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000565092705 377554803 /nfs/dbraw/zinc/55/48/03/377554803.db2.gz DIDUFAQWRDXZCW-INIZCTEOSA-N 3 1 287.451 2.106 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000565092705 377554811 /nfs/dbraw/zinc/55/48/11/377554811.db2.gz DIDUFAQWRDXZCW-INIZCTEOSA-N 3 1 287.451 2.106 20 0 CEADMP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430957043 377572957 /nfs/dbraw/zinc/57/29/57/377572957.db2.gz NMQPAKMECKZMGF-INIZCTEOSA-N 2 1 297.487 2.188 20 0 CEADMP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430957043 377572964 /nfs/dbraw/zinc/57/29/64/377572964.db2.gz NMQPAKMECKZMGF-INIZCTEOSA-N 2 1 297.487 2.188 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000565165304 377580781 /nfs/dbraw/zinc/58/07/81/377580781.db2.gz PNHVOWDZCATPAV-RDJZCZTQSA-N 2 1 276.424 2.308 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCc2ccccc21 ZINC000565165304 377580798 /nfs/dbraw/zinc/58/07/98/377580798.db2.gz PNHVOWDZCATPAV-RDJZCZTQSA-N 2 1 276.424 2.308 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCc2ccccc21 ZINC000565165304 377580804 /nfs/dbraw/zinc/58/08/04/377580804.db2.gz PNHVOWDZCATPAV-RDJZCZTQSA-N 2 1 276.424 2.308 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000565165304 377580814 /nfs/dbraw/zinc/58/08/14/377580814.db2.gz PNHVOWDZCATPAV-RDJZCZTQSA-N 2 1 276.424 2.308 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000565165304 377580818 /nfs/dbraw/zinc/58/08/18/377580818.db2.gz PNHVOWDZCATPAV-RDJZCZTQSA-N 2 1 276.424 2.308 20 0 CEADMP Cc1nnc([C@H](C)[N@H+]2CC[C@@H](c3nccn3C)C2)s1 ZINC000565158630 377576661 /nfs/dbraw/zinc/57/66/61/377576661.db2.gz UJQDALHAVDKLNB-GXSJLCMTSA-N 2 1 277.397 2.131 20 0 CEADMP COC(C)(C)C[NH+](C)[C@H](C)CC[N@H+](C)CC(C)(C)OC ZINC000533022534 542207759 /nfs/dbraw/zinc/20/77/59/542207759.db2.gz OGCSZDLJESKNOS-CQSZACIVSA-N 2 1 288.476 2.479 20 0 CEADMP COC(C)(C)C[NH+](C)CC[C@@H](C)[N@H+](C)CC(C)(C)OC ZINC000533022534 542207762 /nfs/dbraw/zinc/20/77/62/542207762.db2.gz OGCSZDLJESKNOS-CQSZACIVSA-N 2 1 288.476 2.479 20 0 CEADMP COC(C)(C)C[NH+](C)CC[C@@H](C)[N@@H+](C)CC(C)(C)OC ZINC000533022534 542207766 /nfs/dbraw/zinc/20/77/66/542207766.db2.gz OGCSZDLJESKNOS-CQSZACIVSA-N 2 1 288.476 2.479 20 0 CEADMP COCc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000312895936 249375845 /nfs/dbraw/zinc/37/58/45/249375845.db2.gz XPFPGMSVPTZFGE-CALCHBBNSA-N 2 1 274.408 2.264 20 0 CEADMP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000265853671 190212758 /nfs/dbraw/zinc/21/27/58/190212758.db2.gz YYKJJCCHFZIFQV-RDJZCZTQSA-N 2 1 274.408 2.138 20 0 CEADMP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000265853671 190212759 /nfs/dbraw/zinc/21/27/59/190212759.db2.gz YYKJJCCHFZIFQV-RDJZCZTQSA-N 2 1 274.408 2.138 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)CC1CCCC1 ZINC000567160389 377805331 /nfs/dbraw/zinc/80/53/31/377805331.db2.gz FMNYWXYKFLAXRL-XJKSGUPXSA-N 2 1 279.428 2.358 20 0 CEADMP CC(C)(C[NH2+]CC[C@@H]1CCOC1)[NH+]1CCCCC1 ZINC000438085722 377881397 /nfs/dbraw/zinc/88/13/97/377881397.db2.gz DISORYRWHYTDPE-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@@H]2CCOC2)C1 ZINC000438097880 377885262 /nfs/dbraw/zinc/88/52/62/377885262.db2.gz UVCUUOWJIAGAKQ-CVEARBPZSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000438097880 377885272 /nfs/dbraw/zinc/88/52/72/377885272.db2.gz UVCUUOWJIAGAKQ-CVEARBPZSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000438097880 377885282 /nfs/dbraw/zinc/88/52/82/377885282.db2.gz UVCUUOWJIAGAKQ-CVEARBPZSA-N 2 1 266.429 2.077 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000294143326 377917893 /nfs/dbraw/zinc/91/78/93/377917893.db2.gz HOUYBALEEJYYBV-LBPRGKRZSA-N 2 1 259.353 2.118 20 0 CEADMP c1[nH]nc2c1CCC[C@@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294197138 377936089 /nfs/dbraw/zinc/93/60/89/377936089.db2.gz LOGUMSHIGNENKX-INIZCTEOSA-N 2 1 297.406 2.441 20 0 CEADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CC1(C)C ZINC000441389545 377943495 /nfs/dbraw/zinc/94/34/95/377943495.db2.gz VUAAJRPRWLEZFY-ZIAGYGMSSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)[C@@H]1C ZINC000442878062 378013571 /nfs/dbraw/zinc/01/35/71/378013571.db2.gz SEIZFOYYQWHMEA-BZUAXINKSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]([NH3+])C[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000442666115 377977615 /nfs/dbraw/zinc/97/76/15/377977615.db2.gz SFCFXBXQAVGRRY-GFCCVEGCSA-N 2 1 290.386 2.427 20 0 CEADMP C[C@@H]([NH3+])C[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000442666115 377977619 /nfs/dbraw/zinc/97/76/19/377977619.db2.gz SFCFXBXQAVGRRY-GFCCVEGCSA-N 2 1 290.386 2.427 20 0 CEADMP C[C@H]([NH3+])C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000442665098 377978462 /nfs/dbraw/zinc/97/84/62/377978462.db2.gz NZKOFOLTYGBHCF-BBRMVZONSA-N 2 1 262.397 2.096 20 0 CEADMP C[C@H]([NH3+])C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000442665098 377978465 /nfs/dbraw/zinc/97/84/65/377978465.db2.gz NZKOFOLTYGBHCF-BBRMVZONSA-N 2 1 262.397 2.096 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CCC[C@H](CC[NH3+])C3)n21 ZINC000442919432 378018025 /nfs/dbraw/zinc/01/80/25/378018025.db2.gz FHLHVMHBELEEJQ-CQSZACIVSA-N 2 1 272.396 2.204 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)C(C)C ZINC000411551581 284684223 /nfs/dbraw/zinc/68/42/23/284684223.db2.gz NMQBMJZCEOLCKY-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1CCCC[NH+]1C1CC1 ZINC000447594544 378122166 /nfs/dbraw/zinc/12/21/66/378122166.db2.gz ZQZHKINFEMZEAF-MUIFIZLQSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000447594544 378122172 /nfs/dbraw/zinc/12/21/72/378122172.db2.gz ZQZHKINFEMZEAF-MUIFIZLQSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000447594544 378122177 /nfs/dbraw/zinc/12/21/77/378122177.db2.gz ZQZHKINFEMZEAF-MUIFIZLQSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000447594544 378122183 /nfs/dbraw/zinc/12/21/83/378122183.db2.gz ZQZHKINFEMZEAF-MUIFIZLQSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000447594544 378122189 /nfs/dbraw/zinc/12/21/89/378122189.db2.gz ZQZHKINFEMZEAF-MUIFIZLQSA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)OC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000447595732 378124681 /nfs/dbraw/zinc/12/46/81/378124681.db2.gz ANPHVCNTYLELOI-QRFUTXMCSA-N 2 1 252.402 2.157 20 0 CEADMP Cc1cccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1F ZINC000296166892 378438055 /nfs/dbraw/zinc/43/80/55/378438055.db2.gz WXRRXRSGPLGHQG-UHFFFAOYSA-N 2 1 293.430 2.203 20 0 CEADMP Cc1cccnc1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000296323864 378491448 /nfs/dbraw/zinc/49/14/48/378491448.db2.gz GYTMOZVMCOUOSN-IJEWVQPXSA-N 2 1 261.413 2.251 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298221456 378696090 /nfs/dbraw/zinc/69/60/90/378696090.db2.gz ALFFULQHLJVQHY-UHFFFAOYSA-N 3 1 299.422 2.235 20 0 CEADMP CCCO[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346840552 218032906 /nfs/dbraw/zinc/03/29/06/218032906.db2.gz GIECPDOAIMYGSL-CABCVRRESA-N 2 1 254.418 2.267 20 0 CEADMP COC1([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)CCOCC1 ZINC000453100447 378802176 /nfs/dbraw/zinc/80/21/76/378802176.db2.gz WZGPAXBQAVNEBP-CVEARBPZSA-N 2 1 298.471 2.425 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n21 ZINC000346833904 218029140 /nfs/dbraw/zinc/02/91/40/218029140.db2.gz MWJWZDFYWJQCLU-NUEKZKHPSA-N 2 1 284.407 2.202 20 0 CEADMP CCC[N@H+](C)C[C@H]1CCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000266249729 190243048 /nfs/dbraw/zinc/24/30/48/190243048.db2.gz ZSZHOPIRLPAOJJ-GFCCVEGCSA-N 2 1 273.384 2.126 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000266249729 190243049 /nfs/dbraw/zinc/24/30/49/190243049.db2.gz ZSZHOPIRLPAOJJ-GFCCVEGCSA-N 2 1 273.384 2.126 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346851360 218035549 /nfs/dbraw/zinc/03/55/49/218035549.db2.gz JGCGPYBYFAIIKZ-YDHLFZDLSA-N 2 1 290.455 2.104 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346849895 218036183 /nfs/dbraw/zinc/03/61/83/218036183.db2.gz UHMYOEWONWEMQY-JCGIZDLHSA-N 2 1 296.418 2.350 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(C)(C)[NH3+])C1 ZINC000346850294 218036207 /nfs/dbraw/zinc/03/62/07/218036207.db2.gz PWVDGMWCBPFJPG-LSDHHAIUSA-N 2 1 267.461 2.310 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(C)(C)[NH3+])C1 ZINC000346850281 218036962 /nfs/dbraw/zinc/03/69/62/218036962.db2.gz PWVDGMWCBPFJPG-GJZGRUSLSA-N 2 1 267.461 2.310 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2=CCOCC2)[C@@H](C)C1 ZINC000453293908 378857710 /nfs/dbraw/zinc/85/77/10/378857710.db2.gz QCEGDKDXMBFRQJ-RDJZCZTQSA-N 2 1 296.455 2.060 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC[N@@H+]1C ZINC000453295121 378857772 /nfs/dbraw/zinc/85/77/72/378857772.db2.gz XMYMHLVGMHUMDC-RBSFLKMASA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC[N@H+]1C ZINC000453295121 378857777 /nfs/dbraw/zinc/85/77/77/378857777.db2.gz XMYMHLVGMHUMDC-RBSFLKMASA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC[NH+]1C ZINC000453295121 378857785 /nfs/dbraw/zinc/85/77/85/378857785.db2.gz XMYMHLVGMHUMDC-RBSFLKMASA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC[NH+]1C ZINC000453295121 378857790 /nfs/dbraw/zinc/85/77/90/378857790.db2.gz XMYMHLVGMHUMDC-RBSFLKMASA-N 2 1 295.471 2.083 20 0 CEADMP C[N@H+](CCCOc1ccc(F)cc1)CC(C)(C)[NH3+] ZINC000346857538 218038177 /nfs/dbraw/zinc/03/81/77/218038177.db2.gz WQPACNGVXHNSBG-UHFFFAOYSA-N 2 1 254.349 2.264 20 0 CEADMP C[N@@H+](CCCOc1ccc(F)cc1)CC(C)(C)[NH3+] ZINC000346857538 218038178 /nfs/dbraw/zinc/03/81/78/218038178.db2.gz WQPACNGVXHNSBG-UHFFFAOYSA-N 2 1 254.349 2.264 20 0 CEADMP Cc1cccn2c(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cnc12 ZINC000346858705 218038875 /nfs/dbraw/zinc/03/88/75/218038875.db2.gz RQYFPKUPONGCQA-BPUTZDHNSA-N 2 1 284.407 2.202 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000346858597 218040201 /nfs/dbraw/zinc/04/02/01/218040201.db2.gz RKNYOMBUAWIPNS-IMJJTQAJSA-N 2 1 276.428 2.079 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000346864812 218041048 /nfs/dbraw/zinc/04/10/48/218041048.db2.gz ZBDLJWJEEXMANG-USXIJHARSA-N 2 1 290.455 2.469 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@]1(C)CCCO1 ZINC000453331851 378863826 /nfs/dbraw/zinc/86/38/26/378863826.db2.gz ANRXFVYOMQAAJN-MNFFZHCASA-N 2 1 252.402 2.159 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCOC2CCC2)CC1 ZINC000346873767 218045150 /nfs/dbraw/zinc/04/51/50/218045150.db2.gz AZKYAWMSCPRXBB-UHFFFAOYSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000453388654 378881498 /nfs/dbraw/zinc/88/14/98/378881498.db2.gz BVMAXPBKVKFKEJ-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)O1 ZINC000453406614 378890943 /nfs/dbraw/zinc/89/09/43/378890943.db2.gz LGBOQKSQBBKLPD-RYPNDVFKSA-N 2 1 252.402 2.016 20 0 CEADMP CCC[NH+]1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453408635 378892415 /nfs/dbraw/zinc/89/24/15/378892415.db2.gz FNCNNIDRDZNTJA-UHFFFAOYSA-N 3 1 267.461 2.325 20 0 CEADMP CCCN1CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000453408635 378892420 /nfs/dbraw/zinc/89/24/20/378892420.db2.gz FNCNNIDRDZNTJA-UHFFFAOYSA-N 2 1 267.461 2.325 20 0 CEADMP CCCN1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453408635 378892429 /nfs/dbraw/zinc/89/24/29/378892429.db2.gz FNCNNIDRDZNTJA-UHFFFAOYSA-N 2 1 267.461 2.325 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)nc1 ZINC000453433614 378903835 /nfs/dbraw/zinc/90/38/35/378903835.db2.gz SRQSZGMPKHMSSR-GVDBMIGSSA-N 2 1 273.424 2.395 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000347043424 218101901 /nfs/dbraw/zinc/10/19/01/218101901.db2.gz MSMFBSQMKXMKEV-LBPRGKRZSA-N 2 1 290.798 2.306 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000347043424 218101903 /nfs/dbraw/zinc/10/19/03/218101903.db2.gz MSMFBSQMKXMKEV-LBPRGKRZSA-N 2 1 290.798 2.306 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCNC(=O)CC2CCCCC2)CC[N@H+]1C ZINC000180836912 542266439 /nfs/dbraw/zinc/26/64/39/542266439.db2.gz VXWSHOISDDNSPN-GOEBONIOSA-N 2 1 295.471 2.145 20 0 CEADMP c1cn(-c2ccccc2)c(C[NH2+][C@H]2CCc3[nH]cnc3C2)n1 ZINC000518445442 379383258 /nfs/dbraw/zinc/38/32/58/379383258.db2.gz KKJUYFDTSXNEGO-ZDUSSCGKSA-N 2 1 293.374 2.243 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000266615340 190271148 /nfs/dbraw/zinc/27/11/48/190271148.db2.gz JJAJIPGEJYCGHO-CJNGLKHVSA-N 2 1 280.387 2.133 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000266615340 190271149 /nfs/dbraw/zinc/27/11/49/190271149.db2.gz JJAJIPGEJYCGHO-CJNGLKHVSA-N 2 1 280.387 2.133 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000266615340 190271150 /nfs/dbraw/zinc/27/11/50/190271150.db2.gz JJAJIPGEJYCGHO-CJNGLKHVSA-N 2 1 280.387 2.133 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000266615340 190271151 /nfs/dbraw/zinc/27/11/51/190271151.db2.gz JJAJIPGEJYCGHO-CJNGLKHVSA-N 2 1 280.387 2.133 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+]CCCc1c[nH+]cn1C)C1CC1 ZINC000520425311 379469096 /nfs/dbraw/zinc/46/90/96/379469096.db2.gz RBXHUOKMSXYYJQ-WFASDCNBSA-N 2 1 265.401 2.146 20 0 CEADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000303228037 379489854 /nfs/dbraw/zinc/48/98/54/379489854.db2.gz RBELLAFNMSJDGY-FUHWJXTLSA-N 2 1 288.435 2.356 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000521855979 379546773 /nfs/dbraw/zinc/54/67/73/379546773.db2.gz FQKFHMBKFOERLP-GFCCVEGCSA-N 2 1 283.379 2.494 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000521855979 379546785 /nfs/dbraw/zinc/54/67/85/379546785.db2.gz FQKFHMBKFOERLP-GFCCVEGCSA-N 2 1 283.379 2.494 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000521266911 379525693 /nfs/dbraw/zinc/52/56/93/379525693.db2.gz IZEPAFYVNUOIPF-WBVHZDCISA-N 2 1 278.440 2.170 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000521266911 379525699 /nfs/dbraw/zinc/52/56/99/379525699.db2.gz IZEPAFYVNUOIPF-WBVHZDCISA-N 2 1 278.440 2.170 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000521266911 379525706 /nfs/dbraw/zinc/52/57/06/379525706.db2.gz IZEPAFYVNUOIPF-WBVHZDCISA-N 2 1 278.440 2.170 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000521266911 379525711 /nfs/dbraw/zinc/52/57/11/379525711.db2.gz IZEPAFYVNUOIPF-WBVHZDCISA-N 2 1 278.440 2.170 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CCc1ccccc1 ZINC000305140246 379656935 /nfs/dbraw/zinc/65/69/35/379656935.db2.gz PVBPRVGLXZCEKI-KURKYZTESA-N 2 1 290.451 2.300 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000305148409 379659866 /nfs/dbraw/zinc/65/98/66/379659866.db2.gz SQHBXGYTDIMFFO-ZIAGYGMSSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccs1 ZINC000305158620 379665549 /nfs/dbraw/zinc/66/55/49/379665549.db2.gz WKLILFGIODSBEC-KGLIPLIRSA-N 2 1 282.453 2.492 20 0 CEADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2COC2)C3)cc1 ZINC000528029344 379881132 /nfs/dbraw/zinc/88/11/32/379881132.db2.gz YSHFQCZCKOMBNJ-BCDXTJNWSA-N 2 1 286.419 2.418 20 0 CEADMP COCC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCO[C@H]1C ZINC000489434503 380189146 /nfs/dbraw/zinc/18/91/46/380189146.db2.gz SVZZSCLQTSVSAA-GOEBONIOSA-N 2 1 295.427 2.098 20 0 CEADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCO[C@H]1C ZINC000489434503 380189151 /nfs/dbraw/zinc/18/91/51/380189151.db2.gz SVZZSCLQTSVSAA-GOEBONIOSA-N 2 1 295.427 2.098 20 0 CEADMP COCCC[NH+]1CCC(Nc2cc(C)cc[nH+]2)CC1 ZINC000268314273 190394580 /nfs/dbraw/zinc/39/45/80/190394580.db2.gz LBDRFCIOYIDIKM-UHFFFAOYSA-N 2 1 263.385 2.303 20 0 CEADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000334230905 380257697 /nfs/dbraw/zinc/25/76/97/380257697.db2.gz KOCDLTHLMIHWAP-SWLSCSKDSA-N 2 1 279.472 2.368 20 0 CEADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000334230905 380257702 /nfs/dbraw/zinc/25/77/02/380257702.db2.gz KOCDLTHLMIHWAP-SWLSCSKDSA-N 2 1 279.472 2.368 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCOCC12CCCC2 ZINC000334298792 380267502 /nfs/dbraw/zinc/26/75/02/380267502.db2.gz ORKIBFUVQSRTTI-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCOCC12CCCC2 ZINC000334298792 380267510 /nfs/dbraw/zinc/26/75/10/380267510.db2.gz ORKIBFUVQSRTTI-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCOCC12CCCC2 ZINC000334298792 380267516 /nfs/dbraw/zinc/26/75/16/380267516.db2.gz ORKIBFUVQSRTTI-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCOCC12CCCC2 ZINC000334298792 380267521 /nfs/dbraw/zinc/26/75/21/380267521.db2.gz ORKIBFUVQSRTTI-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1(C(=O)OC)CCC1 ZINC000543707107 380336254 /nfs/dbraw/zinc/33/62/54/380336254.db2.gz QBXNBAPHUDLDFO-KGLIPLIRSA-N 2 1 282.428 2.040 20 0 CEADMP C[NH+](C)Cc1cc(NC(=O)[C@@H]2CC[N@H+](C)C2)ccc1Cl ZINC000547422331 380441410 /nfs/dbraw/zinc/44/14/10/380441410.db2.gz GREDWAKZXKNAAY-LLVKDONJSA-N 2 1 295.814 2.292 20 0 CEADMP C[NH+](C)Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)C2)ccc1Cl ZINC000547422331 380441414 /nfs/dbraw/zinc/44/14/14/380441414.db2.gz GREDWAKZXKNAAY-LLVKDONJSA-N 2 1 295.814 2.292 20 0 CEADMP Cn1cc(C(C)(C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000546704606 380412569 /nfs/dbraw/zinc/41/25/69/380412569.db2.gz DPGMBWADUGYLID-AWEZNQCLSA-N 2 1 264.417 2.119 20 0 CEADMP Cn1cc(C(C)(C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000546704606 380412571 /nfs/dbraw/zinc/41/25/71/380412571.db2.gz DPGMBWADUGYLID-AWEZNQCLSA-N 2 1 264.417 2.119 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000554424504 380769292 /nfs/dbraw/zinc/76/92/92/380769292.db2.gz VPZTVTOURNTBGL-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CC[C@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000554424504 380769297 /nfs/dbraw/zinc/76/92/97/380769297.db2.gz VPZTVTOURNTBGL-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CC[C@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000554424504 380769303 /nfs/dbraw/zinc/76/93/03/380769303.db2.gz VPZTVTOURNTBGL-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)[C@H](C)C1 ZINC000554117464 380757987 /nfs/dbraw/zinc/75/79/87/380757987.db2.gz GGMUNSMIRHWKNV-QKPAOTATSA-N 2 1 268.445 2.105 20 0 CEADMP CCC[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000554544959 380779702 /nfs/dbraw/zinc/77/97/02/380779702.db2.gz RTUQYLWKGUIDLY-JKSUJKDBSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNCc2cnc(N(C)C)s2)C1 ZINC000556205154 380884995 /nfs/dbraw/zinc/88/49/95/380884995.db2.gz LRZRXVXFSUAQOQ-LBPRGKRZSA-N 2 1 282.457 2.029 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(N(C)C)s2)C1 ZINC000556205154 380885000 /nfs/dbraw/zinc/88/50/00/380885000.db2.gz LRZRXVXFSUAQOQ-LBPRGKRZSA-N 2 1 282.457 2.029 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(N(C)C)s2)C1 ZINC000556205154 380885003 /nfs/dbraw/zinc/88/50/03/380885003.db2.gz LRZRXVXFSUAQOQ-LBPRGKRZSA-N 2 1 282.457 2.029 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000334856335 207192981 /nfs/dbraw/zinc/19/29/81/207192981.db2.gz HXLPYZJURJESCO-HZMBPMFUSA-N 2 1 280.799 2.363 20 0 CEADMP COc1cccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000289414091 197336691 /nfs/dbraw/zinc/33/66/91/197336691.db2.gz MCAGYLYJIPNGNP-UHFFFAOYSA-N 2 1 293.455 2.011 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](OCC2CC2)C1 ZINC000368792954 220289291 /nfs/dbraw/zinc/28/92/91/220289291.db2.gz REVHSTVUINRFHY-JKSUJKDBSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368792954 220289292 /nfs/dbraw/zinc/28/92/92/220289292.db2.gz REVHSTVUINRFHY-JKSUJKDBSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368792954 220289294 /nfs/dbraw/zinc/28/92/94/220289294.db2.gz REVHSTVUINRFHY-JKSUJKDBSA-N 2 1 266.429 2.362 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2=CCCOC2)C[C@@H]1C ZINC000353752706 220305195 /nfs/dbraw/zinc/30/51/95/220305195.db2.gz UBAZOSBSKSUISP-ZFWWWQNUSA-N 2 1 252.402 2.138 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2=CCCOC2)C[C@@H]1C ZINC000353752706 220305201 /nfs/dbraw/zinc/30/52/01/220305201.db2.gz UBAZOSBSKSUISP-ZFWWWQNUSA-N 2 1 252.402 2.138 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2=CCCOC2)C[C@@H]1C ZINC000353752706 220305205 /nfs/dbraw/zinc/30/52/05/220305205.db2.gz UBAZOSBSKSUISP-ZFWWWQNUSA-N 2 1 252.402 2.138 20 0 CEADMP Cc1cccc(CCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000353853883 220368849 /nfs/dbraw/zinc/36/88/49/220368849.db2.gz GTCBCZYDLBWVEQ-XJKSGUPXSA-N 2 1 261.413 2.252 20 0 CEADMP COC[C@@H](C)[NH+]1CCC[C@@]2(CCC[N@H+]([C@@H](C)COC)C2)C1 ZINC000368247457 285205249 /nfs/dbraw/zinc/20/52/49/285205249.db2.gz ZPWNDPSSXDYGFS-IXDOHACOSA-N 2 1 298.471 2.234 20 0 CEADMP COC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC[NH+]([C@@H](C)COC)C2)C1 ZINC000368247457 285205253 /nfs/dbraw/zinc/20/52/53/285205253.db2.gz ZPWNDPSSXDYGFS-IXDOHACOSA-N 2 1 298.471 2.234 20 0 CEADMP COC[C@@H](C)[N@H+]1CCC[C@@]2(CCC[NH+]([C@@H](C)COC)C2)C1 ZINC000368247457 285205258 /nfs/dbraw/zinc/20/52/58/285205258.db2.gz ZPWNDPSSXDYGFS-IXDOHACOSA-N 2 1 298.471 2.234 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000354562306 220807247 /nfs/dbraw/zinc/80/72/47/220807247.db2.gz CLCPQLSPZYDFMH-GJZGRUSLSA-N 2 1 252.402 2.043 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)C(C)C ZINC000353727644 285280186 /nfs/dbraw/zinc/28/01/86/285280186.db2.gz JLKITCVLJQKAFX-CVEARBPZSA-N 2 1 297.487 2.153 20 0 CEADMP O[C@@H]1c2ccccc2C[C@@H]1[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245861353 285338596 /nfs/dbraw/zinc/33/85/96/285338596.db2.gz OWBBYAHKQRUZHR-JCGIZDLHSA-N 2 1 286.419 2.062 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417398128 533548886 /nfs/dbraw/zinc/54/88/86/533548886.db2.gz HHNOILGXHOGVQJ-SPUZQDLCSA-N 2 1 288.435 2.400 20 0 CEADMP c1cc2c(nc[nH+]c2NC2CC[NH+](CC3CC3)CC2)[nH]1 ZINC000263723719 131316466 /nfs/dbraw/zinc/31/64/66/131316466.db2.gz BMSZABMQVSFXQY-UHFFFAOYSA-N 2 1 271.368 2.244 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2COCc3ccccc32)CCN1C ZINC000300275327 394454859 /nfs/dbraw/zinc/45/48/59/394454859.db2.gz OBKFSBHWPBILMD-XPKDYRNWSA-N 2 1 260.381 2.330 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000300687477 394457473 /nfs/dbraw/zinc/45/74/73/394457473.db2.gz NHDVUHLWERKQJV-HOTGVXAUSA-N 2 1 261.413 2.451 20 0 CEADMP Cc1cc(NCC2([NH+](C)C)CCCCC2)nc(C)[nH+]1 ZINC000355508448 394461325 /nfs/dbraw/zinc/46/13/25/394461325.db2.gz ODKBDYYHBKOFCN-UHFFFAOYSA-N 2 1 262.401 2.192 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000020072284 394471073 /nfs/dbraw/zinc/47/10/73/394471073.db2.gz DQTWVUYRYCZOKM-IAGOWNOFSA-N 2 1 275.440 2.349 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000236160728 394485060 /nfs/dbraw/zinc/48/50/60/394485060.db2.gz WOPBAXYKNZBONF-CZUORRHYSA-N 2 1 287.407 2.001 20 0 CEADMP CC[C@@H]1C[C@H](C[NH2+]CC2=CC[N@@H+](C)CC2)CCO1 ZINC000355686787 394501839 /nfs/dbraw/zinc/50/18/39/394501839.db2.gz VNLFRKKMBQDVNC-HUUCEWRRSA-N 2 1 252.402 2.043 20 0 CEADMP CC1=CCN(CCNc2ccncc2Cl)CC1 ZINC000355685405 394502233 /nfs/dbraw/zinc/50/22/33/394502233.db2.gz SVOBJWSKBANOQO-UHFFFAOYSA-N 2 1 251.761 2.221 20 0 CEADMP CC[C@H](C(N)=O)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246034272 394508024 /nfs/dbraw/zinc/50/80/24/394508024.db2.gz ODFVBLBMLKPUNU-GDBMZVCRSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1CCC[N@H+]1C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000305700462 394509156 /nfs/dbraw/zinc/50/91/56/394509156.db2.gz WBSDMKGXWCMIIZ-BMFZPTHFSA-N 2 1 266.429 2.239 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000356279841 394574420 /nfs/dbraw/zinc/57/44/20/394574420.db2.gz JVXNGJCQLKSEPX-PBHICJAKSA-N 2 1 291.439 2.136 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(OC)c2)C1 ZINC000312258418 394540816 /nfs/dbraw/zinc/54/08/16/394540816.db2.gz BAWOKOUXHXSWBI-LBPRGKRZSA-N 2 1 266.360 2.266 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(OC)c2)C1 ZINC000312258418 394540819 /nfs/dbraw/zinc/54/08/19/394540819.db2.gz BAWOKOUXHXSWBI-LBPRGKRZSA-N 2 1 266.360 2.266 20 0 CEADMP CC(C)[C@](C)(O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248552128 394542513 /nfs/dbraw/zinc/54/25/13/394542513.db2.gz IYPDCHFIDCKZBE-USXIJHARSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@](C)(O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248552128 394542516 /nfs/dbraw/zinc/54/25/16/394542516.db2.gz IYPDCHFIDCKZBE-USXIJHARSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@](C)(O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248552128 394542519 /nfs/dbraw/zinc/54/25/19/394542519.db2.gz IYPDCHFIDCKZBE-USXIJHARSA-N 2 1 280.456 2.342 20 0 CEADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000261573613 394602827 /nfs/dbraw/zinc/60/28/27/394602827.db2.gz VTJUMMZECZIAIB-YOEHRIQHSA-N 2 1 258.409 2.475 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000356784110 394613879 /nfs/dbraw/zinc/61/38/79/394613879.db2.gz QQHDCUPUSTUULK-HNNXBMFYSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263089804 394626773 /nfs/dbraw/zinc/62/67/73/394626773.db2.gz YGTZKCOQSBJJPA-IVSAIRAKSA-N 2 1 295.471 2.273 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cc(C)nc(C)c1 ZINC000421926831 394641109 /nfs/dbraw/zinc/64/11/09/394641109.db2.gz YJYDDOIRJYIYRT-OAHLLOKOSA-N 2 1 275.396 2.189 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3c[nH]nc32)CC[N@@H+]1C ZINC000093644190 394669271 /nfs/dbraw/zinc/66/92/71/394669271.db2.gz YBWGDLRKCKPMGO-WFASDCNBSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3c[nH]nc32)CC[N@H+]1C ZINC000093644190 394669274 /nfs/dbraw/zinc/66/92/74/394669274.db2.gz YBWGDLRKCKPMGO-WFASDCNBSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc3c[nH]nc32)CC[NH+]1C ZINC000093644190 394669278 /nfs/dbraw/zinc/66/92/78/394669278.db2.gz YBWGDLRKCKPMGO-WFASDCNBSA-N 2 1 272.396 2.477 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3c[nH]nc32)CC[NH+]1C ZINC000093644190 394669283 /nfs/dbraw/zinc/66/92/83/394669283.db2.gz YBWGDLRKCKPMGO-WFASDCNBSA-N 2 1 272.396 2.477 20 0 CEADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000414213352 394732780 /nfs/dbraw/zinc/73/27/80/394732780.db2.gz ULKQQKYXJWXVDG-BYNSBNAKSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422718779 394738239 /nfs/dbraw/zinc/73/82/39/394738239.db2.gz QBRKAGLGMKHVSR-DZKIICNBSA-N 2 1 273.424 2.168 20 0 CEADMP C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1c[nH+]ccc1N ZINC000422727640 394743525 /nfs/dbraw/zinc/74/35/25/394743525.db2.gz HRPJWCFBZLXHPY-LBPRGKRZSA-N 2 1 283.375 2.322 20 0 CEADMP C[NH+](C)C1CCC(NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000422133077 394680741 /nfs/dbraw/zinc/68/07/41/394680741.db2.gz PJTHQMJGRKYNGN-GPANFISMSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)C1C[NH2+]C1 ZINC000422731160 394745179 /nfs/dbraw/zinc/74/51/79/394745179.db2.gz LFBMXESTYNLKHQ-QMMMGPOBSA-N 2 1 287.176 2.286 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@H]2C[C@@H]2C)CC1 ZINC000414060650 394689401 /nfs/dbraw/zinc/68/94/01/394689401.db2.gz JUOHHMKZRLOBJZ-XHSDSOJGSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H](C)Cc1ccc(OC)nc1)C(C)C ZINC000414074054 394694670 /nfs/dbraw/zinc/69/46/70/394694670.db2.gz MOJPOMWMDWVIJD-AWEZNQCLSA-N 2 1 279.428 2.341 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H](C)Cc1ccc(OC)nc1)C(C)C ZINC000414074054 394694671 /nfs/dbraw/zinc/69/46/71/394694671.db2.gz MOJPOMWMDWVIJD-AWEZNQCLSA-N 2 1 279.428 2.341 20 0 CEADMP COCc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)o1 ZINC000268797425 394700306 /nfs/dbraw/zinc/70/03/06/394700306.db2.gz ORYMUZLZTKUDLR-GFCCVEGCSA-N 2 1 277.368 2.357 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414111050 394705247 /nfs/dbraw/zinc/70/52/47/394705247.db2.gz ISMASIJYGVRJIK-FZCLSBEQSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414111050 394705250 /nfs/dbraw/zinc/70/52/50/394705250.db2.gz ISMASIJYGVRJIK-FZCLSBEQSA-N 2 1 288.435 2.258 20 0 CEADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CC1(C)C ZINC000414126816 394710587 /nfs/dbraw/zinc/71/05/87/394710587.db2.gz FMZSCNDXEOHEMM-CABCVRRESA-N 2 1 281.488 2.427 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cc12 ZINC000422559630 394710579 /nfs/dbraw/zinc/71/05/79/394710579.db2.gz DNJROHNGDJSVCW-GYSYKLTISA-N 2 1 287.411 2.072 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)CCO1 ZINC000422559627 394710627 /nfs/dbraw/zinc/71/06/27/394710627.db2.gz DMNGXANMQQSCIF-DGADGQDISA-N 2 1 268.445 2.497 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]CC[N@H+](C)C2CCCC2)cn1 ZINC000414130474 394711627 /nfs/dbraw/zinc/71/16/27/394711627.db2.gz WLULHZJUROWCPT-AWEZNQCLSA-N 2 1 291.439 2.485 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]CC[N@@H+](C)C2CCCC2)cn1 ZINC000414130474 394711629 /nfs/dbraw/zinc/71/16/29/394711629.db2.gz WLULHZJUROWCPT-AWEZNQCLSA-N 2 1 291.439 2.485 20 0 CEADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358229201 394712432 /nfs/dbraw/zinc/71/24/32/394712432.db2.gz GCYSDQGROPJVSM-JYJNAYRXSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358229201 394712435 /nfs/dbraw/zinc/71/24/35/394712435.db2.gz GCYSDQGROPJVSM-JYJNAYRXSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(-n3cncn3)cc2)C[C@H]1C[NH3+] ZINC000422563629 394712811 /nfs/dbraw/zinc/71/28/11/394712811.db2.gz UAAKQTXUFLBSFZ-IJEWVQPXSA-N 2 1 299.422 2.073 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)o1 ZINC000422564299 394712983 /nfs/dbraw/zinc/71/29/83/394712983.db2.gz VPHPLQBWTBAWDX-XQQFMLRXSA-N 2 1 294.395 2.262 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)o1 ZINC000422564299 394712985 /nfs/dbraw/zinc/71/29/85/394712985.db2.gz VPHPLQBWTBAWDX-XQQFMLRXSA-N 2 1 294.395 2.262 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC(C)(C)CC[NH3+] ZINC000422589889 394715856 /nfs/dbraw/zinc/71/58/56/394715856.db2.gz KIKDTVHZKHEACA-AWEZNQCLSA-N 2 1 298.475 2.068 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000358344700 394719300 /nfs/dbraw/zinc/71/93/00/394719300.db2.gz XMCOISYBKYGOBJ-BBWFWOEESA-N 2 1 281.488 2.284 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000358344700 394719302 /nfs/dbraw/zinc/71/93/02/394719302.db2.gz XMCOISYBKYGOBJ-BBWFWOEESA-N 2 1 281.488 2.284 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000358344700 394719304 /nfs/dbraw/zinc/71/93/04/394719304.db2.gz XMCOISYBKYGOBJ-BBWFWOEESA-N 2 1 281.488 2.284 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000358344700 394719306 /nfs/dbraw/zinc/71/93/06/394719306.db2.gz XMCOISYBKYGOBJ-BBWFWOEESA-N 3 1 281.488 2.284 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000358344700 394719308 /nfs/dbraw/zinc/71/93/08/394719308.db2.gz XMCOISYBKYGOBJ-BBWFWOEESA-N 3 1 281.488 2.284 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000358344700 394719310 /nfs/dbraw/zinc/71/93/10/394719310.db2.gz XMCOISYBKYGOBJ-BBWFWOEESA-N 3 1 281.488 2.284 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000358344700 394719312 /nfs/dbraw/zinc/71/93/12/394719312.db2.gz XMCOISYBKYGOBJ-BBWFWOEESA-N 3 1 281.488 2.284 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C)C[C@@H]2C)C1 ZINC000358344700 394719313 /nfs/dbraw/zinc/71/93/13/394719313.db2.gz XMCOISYBKYGOBJ-BBWFWOEESA-N 2 1 281.488 2.284 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C)C[C@@H]2C)C1 ZINC000358344700 394719314 /nfs/dbraw/zinc/71/93/14/394719314.db2.gz XMCOISYBKYGOBJ-BBWFWOEESA-N 2 1 281.488 2.284 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422699875 394725320 /nfs/dbraw/zinc/72/53/20/394725320.db2.gz BMIHPUZCNXCWGE-BZUAXINKSA-N 3 1 276.428 2.092 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000422704615 394728455 /nfs/dbraw/zinc/72/84/55/394728455.db2.gz QAJMGRCJSNDLQE-RYUDHWBXSA-N 2 1 282.771 2.081 20 0 CEADMP CCC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1nnc2ccccn21 ZINC000422740523 394751020 /nfs/dbraw/zinc/75/10/20/394751020.db2.gz MWLFBZZYSLDJDU-AVGNSLFASA-N 2 1 275.400 2.286 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(F)c2)CC12CCOCC2 ZINC000335252099 394753687 /nfs/dbraw/zinc/75/36/87/394753687.db2.gz IRQBZOZVRZFCEU-CQSZACIVSA-N 2 1 278.371 2.013 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(Cl)c1OC ZINC000414825255 394754788 /nfs/dbraw/zinc/75/47/88/394754788.db2.gz GSKREEXFEJSPJF-LLVKDONJSA-N 2 1 298.814 2.446 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000422746613 394755621 /nfs/dbraw/zinc/75/56/21/394755621.db2.gz NYGFBKOMGLTBIB-DYVFJYSZSA-N 2 1 293.430 2.365 20 0 CEADMP CNC(=O)c1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000414831662 394759160 /nfs/dbraw/zinc/75/91/60/394759160.db2.gz CVHRWMPVGIEIPN-MRXNPFEDSA-N 2 1 289.423 2.043 20 0 CEADMP c1nc(C2CCC2)sc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414834533 394760937 /nfs/dbraw/zinc/76/09/37/394760937.db2.gz SNEZFXOHAPSEOC-LLVKDONJSA-N 2 1 265.426 2.500 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c(Cl)c1 ZINC000414953791 394822725 /nfs/dbraw/zinc/82/27/25/394822725.db2.gz KCXBESKGTDWESF-QMTHXVAHSA-N 2 1 268.788 2.436 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)C[C@H]1C ZINC000414835768 394761422 /nfs/dbraw/zinc/76/14/22/394761422.db2.gz HTEBHSSKXUHUSB-CBBWQLFWSA-N 2 1 284.444 2.317 20 0 CEADMP C[C@@H]([NH2+]CCOc1ccccc1)c1c[nH+]ccc1N ZINC000422755539 394761957 /nfs/dbraw/zinc/76/19/57/394761957.db2.gz KOMVLQBERDXEBM-GFCCVEGCSA-N 2 1 257.337 2.224 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414839477 394763658 /nfs/dbraw/zinc/76/36/58/394763658.db2.gz XOHVMUNZFANYHZ-NYJIRUKSSA-N 2 1 299.462 2.380 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414839477 394763659 /nfs/dbraw/zinc/76/36/59/394763659.db2.gz XOHVMUNZFANYHZ-NYJIRUKSSA-N 2 1 299.462 2.380 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(OC)ccc1OC(F)F ZINC000414839703 394764917 /nfs/dbraw/zinc/76/49/17/394764917.db2.gz MKMLYISHQJCYDR-JTQLQIEISA-N 2 1 288.338 2.242 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC1([NH+](C)C)CCCCC1 ZINC000359599861 394764984 /nfs/dbraw/zinc/76/49/84/394764984.db2.gz UWWBIULCUKHAAR-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422761589 394765558 /nfs/dbraw/zinc/76/55/58/394765558.db2.gz MYLXDRYAHQTFFP-UKPHBRMFSA-N 2 1 294.414 2.097 20 0 CEADMP C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000414845574 394766493 /nfs/dbraw/zinc/76/64/93/394766493.db2.gz DQBMMQFYQMHFBQ-YJBOKZPZSA-N 2 1 298.434 2.409 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN(C)c1ccccc1 ZINC000359633289 394767195 /nfs/dbraw/zinc/76/71/95/394767195.db2.gz KLZZXOHISBVXLY-GDBMZVCRSA-N 2 1 261.413 2.053 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000414953211 394823077 /nfs/dbraw/zinc/82/30/77/394823077.db2.gz JHVKFDGJEICAQX-JQWIXIFHSA-N 2 1 290.436 2.361 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc2c1OCCCO2)[C@H]1CCC[NH2+]C1 ZINC000414848261 394769603 /nfs/dbraw/zinc/76/96/03/394769603.db2.gz GFNMBISSWJVPOZ-KGLIPLIRSA-N 2 1 290.407 2.326 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422769953 394772203 /nfs/dbraw/zinc/77/22/03/394772203.db2.gz VRYNYQVBDIWVSG-JZWPEALZSA-N 2 1 279.472 2.370 20 0 CEADMP COc1ccc(C)cc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414858832 394774681 /nfs/dbraw/zinc/77/46/81/394774681.db2.gz SNDGOTHUXUMXMU-KBPBESRZSA-N 2 1 262.397 2.481 20 0 CEADMP C[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)Oc1cccc(F)c1 ZINC000422780737 394779394 /nfs/dbraw/zinc/77/93/94/394779394.db2.gz DHIYFSOSUMVOMS-LALPHHSUSA-N 2 1 266.360 2.323 20 0 CEADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422783275 394781636 /nfs/dbraw/zinc/78/16/36/394781636.db2.gz OAMGEDQUZCBTEO-YESZJQIVSA-N 2 1 276.424 2.476 20 0 CEADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414875068 394783026 /nfs/dbraw/zinc/78/30/26/394783026.db2.gz ZQGJXXCATSJZKS-OCCSQVGLSA-N 2 1 276.380 2.078 20 0 CEADMP CCCCOCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422784936 394783779 /nfs/dbraw/zinc/78/37/79/394783779.db2.gz QFMILXJNZGRQBE-ZBFHGGJFSA-N 2 1 264.413 2.351 20 0 CEADMP COc1cc2c(c(C[NH2+][C@@H]3CC[NH2+][C@H](C)C3)c1)O[C@@H](C)C2 ZINC000414956235 394823979 /nfs/dbraw/zinc/82/39/79/394823979.db2.gz VBFYFMFTJPJFSR-TYNCELHUSA-N 2 1 290.407 2.249 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CCC1 ZINC000414884902 394788295 /nfs/dbraw/zinc/78/82/95/394788295.db2.gz OGSNJPDSYHXWOT-UHFFFAOYSA-N 2 1 292.333 2.326 20 0 CEADMP COc1ccc(O[C@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422795787 394792246 /nfs/dbraw/zinc/79/22/46/394792246.db2.gz WPWSSJABVNMDAB-XJKCOSOUSA-N 2 1 278.396 2.193 20 0 CEADMP Fc1ccc(-n2nccc2C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000414901744 394797116 /nfs/dbraw/zinc/79/71/16/394797116.db2.gz GUDNTFGVHUJZBM-CQSZACIVSA-N 2 1 288.370 2.243 20 0 CEADMP COc1cc2c(cc1C[NH2+][C@H]1CCC[NH2+]CC1)O[C@@H](C)C2 ZINC000414911360 394800482 /nfs/dbraw/zinc/80/04/82/394800482.db2.gz GOVWHBDDWUMSLF-WFASDCNBSA-N 2 1 290.407 2.250 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414931048 394808407 /nfs/dbraw/zinc/80/84/07/394808407.db2.gz PKYKZODYCZVTOB-LALPHHSUSA-N 2 1 250.361 2.344 20 0 CEADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC(F)(F)C[NH3+])CC1 ZINC000414932319 394809366 /nfs/dbraw/zinc/80/93/66/394809366.db2.gz RYXFDEGVOJWNGW-JSGCOSHPSA-N 2 1 289.414 2.213 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]1 ZINC000422822580 394812820 /nfs/dbraw/zinc/81/28/20/394812820.db2.gz KDPLNHOQZOSUHZ-JSGCOSHPSA-N 2 1 290.407 2.423 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414946888 394816411 /nfs/dbraw/zinc/81/64/11/394816411.db2.gz UUHKZGDJZCXWMT-UHFFFAOYSA-N 2 1 284.407 2.412 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(C2CCC2)s1 ZINC000414952680 394821429 /nfs/dbraw/zinc/82/14/29/394821429.db2.gz IPFZXCBIQJMERH-GWCFXTLKSA-N 2 1 265.426 2.498 20 0 CEADMP CCc1oc2ccccc2c1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415047195 394863024 /nfs/dbraw/zinc/86/30/24/394863024.db2.gz VPHUSAMKZJAAKP-ZDUSSCGKSA-N 2 1 288.391 2.463 20 0 CEADMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1CC[NH+]1CCCCC1 ZINC000336561923 394864883 /nfs/dbraw/zinc/86/48/83/394864883.db2.gz RYJYDMQNXSNIGH-HOTGVXAUSA-N 2 1 265.445 2.031 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000415055184 394867107 /nfs/dbraw/zinc/86/71/07/394867107.db2.gz NHCHSRDQIBTJKE-ZDUSSCGKSA-N 2 1 278.425 2.397 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422944659 394867541 /nfs/dbraw/zinc/86/75/41/394867541.db2.gz LUJNVJXQVYXRSE-RYUDHWBXSA-N 2 1 256.296 2.257 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415059030 394868406 /nfs/dbraw/zinc/86/84/06/394868406.db2.gz UKSQJCXPMPGZPP-KLAILNCOSA-N 2 1 281.488 2.475 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH2+][C@@H](C[NH3+])C2CCCC2)CCO1 ZINC000415064578 394871038 /nfs/dbraw/zinc/87/10/38/394871038.db2.gz LBJQMBGALNNRAB-CFVMTHIKSA-N 2 1 254.418 2.299 20 0 CEADMP COc1ccccc1OCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129680007 394871432 /nfs/dbraw/zinc/87/14/32/394871432.db2.gz WBDRJOLGSQTGOQ-KBPBESRZSA-N 2 1 278.396 2.146 20 0 CEADMP CC(C)C[C@@H](C[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000415072076 394875899 /nfs/dbraw/zinc/87/58/99/394875899.db2.gz VGSWVNAKBWZUPX-JKSUJKDBSA-N 2 1 264.413 2.068 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422991236 394876021 /nfs/dbraw/zinc/87/60/21/394876021.db2.gz AMHQCDFUNMWTGV-RRFJBIMHSA-N 3 1 255.450 2.212 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422992739 394876478 /nfs/dbraw/zinc/87/64/78/394876478.db2.gz DJJYZYNLZVVDHY-ARFHVFGLSA-N 2 1 267.461 2.085 20 0 CEADMP c1cc(N2CCCCCC2)ncc1C[NH2+]C1CC[NH2+]CC1 ZINC000415075182 394876681 /nfs/dbraw/zinc/87/66/81/394876681.db2.gz BBNJGAOQUWHVMA-UHFFFAOYSA-N 2 1 288.439 2.304 20 0 CEADMP COCc1cc(C[NH2+]C[C@H]([NH3+])CC(C)C)ccc1F ZINC000415076290 394877252 /nfs/dbraw/zinc/87/72/52/394877252.db2.gz GCWBYVOTCLUPGE-CQSZACIVSA-N 2 1 268.376 2.435 20 0 CEADMP CCOc1cccc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422993556 394877337 /nfs/dbraw/zinc/87/73/37/394877337.db2.gz GACOAWWZPMIKCF-CJNGLKHVSA-N 2 1 262.397 2.215 20 0 CEADMP CC(C)C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000129979637 394877979 /nfs/dbraw/zinc/87/79/79/394877979.db2.gz BSDWSTINTKHLTM-SOUVJXGZSA-N 2 1 255.450 2.035 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)c2ccccc21 ZINC000423009404 394878231 /nfs/dbraw/zinc/87/82/31/394878231.db2.gz VNLWXPLJIYADRB-BMGDILEWSA-N 2 1 282.387 2.497 20 0 CEADMP CC(C)C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000129978970 394878644 /nfs/dbraw/zinc/87/86/44/394878644.db2.gz BSDWSTINTKHLTM-RBSFLKMASA-N 2 1 255.450 2.035 20 0 CEADMP c1sc(CCC[NH2+][C@H]2CC[NH2+]C2)nc1-c1ccncc1 ZINC000415078581 394879222 /nfs/dbraw/zinc/87/92/22/394879222.db2.gz GPOITXHADBJNCG-ZDUSSCGKSA-N 2 1 288.420 2.089 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000414961188 394827213 /nfs/dbraw/zinc/82/72/13/394827213.db2.gz RTALZXBZDWJSTC-SMDDNHRTSA-N 2 1 288.420 2.293 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)N(C)c1ccccc1 ZINC000422854827 394830777 /nfs/dbraw/zinc/83/07/77/394830777.db2.gz DEIDGJWUATWRAI-IJEWVQPXSA-N 2 1 261.413 2.241 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000278417577 394831048 /nfs/dbraw/zinc/83/10/48/394831048.db2.gz IGDWRRHCLSLLSQ-SRABZTEZSA-N 2 1 276.424 2.347 20 0 CEADMP CC[C@H](NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422855406 394831961 /nfs/dbraw/zinc/83/19/61/394831961.db2.gz DTHFDVRABHTPFH-WCVJEAGWSA-N 2 1 267.461 2.227 20 0 CEADMP CCOCCOCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422859464 394834074 /nfs/dbraw/zinc/83/40/74/394834074.db2.gz KCEAGRZLUJTVQE-IAGOWNOFSA-N 2 1 292.423 2.209 20 0 CEADMP CCO[C@H](CC[NH+](C)C)CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422867246 394838565 /nfs/dbraw/zinc/83/85/65/394838565.db2.gz RUUYUXWKFGVWOU-XOKHGSTOSA-N 2 1 291.439 2.078 20 0 CEADMP C[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000422868099 394839463 /nfs/dbraw/zinc/83/94/63/394839463.db2.gz UKUIMDXTHXARAG-FXUDXRNXSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@H]([NH2+]Cc1csc(Br)c1)C1C[NH2+]C1 ZINC000422869236 394840336 /nfs/dbraw/zinc/84/03/36/394840336.db2.gz WZJSUIKSUVPXIG-ZETCQYMHSA-N 2 1 275.215 2.208 20 0 CEADMP CCCCCn1cc(C[NH2+][C@@H](C)C2C[NH2+]C2)c(C)n1 ZINC000423025022 394883324 /nfs/dbraw/zinc/88/33/24/394883324.db2.gz NFBDRQHAKMZGSM-LBPRGKRZSA-N 2 1 264.417 2.079 20 0 CEADMP COc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422871259 394841165 /nfs/dbraw/zinc/84/11/65/394841165.db2.gz CTXACQTZWJDLNZ-YIONKMFJSA-N 2 1 260.381 2.376 20 0 CEADMP C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422873430 394842410 /nfs/dbraw/zinc/84/24/10/394842410.db2.gz AFSVUUNRNSYDLK-VVLHAWIVSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422873430 394842414 /nfs/dbraw/zinc/84/24/14/394842414.db2.gz AFSVUUNRNSYDLK-VVLHAWIVSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422873430 394842417 /nfs/dbraw/zinc/84/24/17/394842417.db2.gz AFSVUUNRNSYDLK-VVLHAWIVSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000422875688 394843348 /nfs/dbraw/zinc/84/33/48/394843348.db2.gz FQNJAFZTDYJICV-HUUCEWRRSA-N 3 1 255.450 2.216 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000415003211 394844061 /nfs/dbraw/zinc/84/40/61/394844061.db2.gz FNEWNHICBJDQHN-VXGBXAGGSA-N 2 1 272.352 2.094 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422878472 394846000 /nfs/dbraw/zinc/84/60/00/394846000.db2.gz JGJMBIUNUTXEFW-QKPAOTATSA-N 2 1 267.461 2.071 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422878472 394846002 /nfs/dbraw/zinc/84/60/02/394846002.db2.gz JGJMBIUNUTXEFW-QKPAOTATSA-N 3 1 267.461 2.071 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422878472 394846004 /nfs/dbraw/zinc/84/60/04/394846004.db2.gz JGJMBIUNUTXEFW-QKPAOTATSA-N 3 1 267.461 2.071 20 0 CEADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[NH2+]C2)cc1OC ZINC000415087740 394883710 /nfs/dbraw/zinc/88/37/10/394883710.db2.gz WNYACUQSQSADNT-CQSZACIVSA-N 2 1 292.423 2.323 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422880333 394846910 /nfs/dbraw/zinc/84/69/10/394846910.db2.gz WTUZDZQRLCDUAD-AHBIMHKDSA-N 2 1 271.408 2.204 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000415012276 394848144 /nfs/dbraw/zinc/84/81/44/394848144.db2.gz SDARRAQJXLPPRG-IUCAKERBSA-N 2 1 262.275 2.411 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000422888408 394851221 /nfs/dbraw/zinc/85/12/21/394851221.db2.gz CRRPGUVWHDECET-DZGCQCFKSA-N 3 1 255.450 2.214 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000422889695 394851914 /nfs/dbraw/zinc/85/19/14/394851914.db2.gz QFBCSHUCGQUBJC-ILXRZTDVSA-N 3 1 255.450 2.356 20 0 CEADMP CCCN1CCC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000415026448 394853046 /nfs/dbraw/zinc/85/30/46/394853046.db2.gz SYOWOCSVKPFVJQ-SHTZXODSSA-N 2 1 267.461 2.216 20 0 CEADMP CC(C)Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415029802 394854853 /nfs/dbraw/zinc/85/48/53/394854853.db2.gz BPHVNCRZSXSDPX-KRWDZBQOSA-N 2 1 276.424 2.353 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000336432207 394855053 /nfs/dbraw/zinc/85/50/53/394855053.db2.gz ZDBQJIDSPXVUEF-WBVHZDCISA-N 2 1 274.408 2.065 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000336432207 394855056 /nfs/dbraw/zinc/85/50/56/394855056.db2.gz ZDBQJIDSPXVUEF-WBVHZDCISA-N 2 1 274.408 2.065 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000336432204 394855178 /nfs/dbraw/zinc/85/51/78/394855178.db2.gz ZDBQJIDSPXVUEF-DOTOQJQBSA-N 2 1 274.408 2.065 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CC(C)(C)c3ccccc32)C1 ZINC000336432204 394855181 /nfs/dbraw/zinc/85/51/81/394855181.db2.gz ZDBQJIDSPXVUEF-DOTOQJQBSA-N 2 1 274.408 2.065 20 0 CEADMP c1ccc2cc(C[NH2+]C[C@H]3C[NH2+]CCCO3)ccc2c1 ZINC000415034299 394856602 /nfs/dbraw/zinc/85/66/02/394856602.db2.gz HOTARKYKMTVBSF-QGZVFWFLSA-N 2 1 270.376 2.308 20 0 CEADMP C[N@H+]1CCN(CCNc2ccncc2Cl)CC1(C)C ZINC000281706728 394857138 /nfs/dbraw/zinc/85/71/38/394857138.db2.gz UEUGJKAOQXAJIH-UHFFFAOYSA-N 2 1 282.819 2.173 20 0 CEADMP C[N@@H+]1CCN(CCNc2cc[nH+]cc2Cl)CC1(C)C ZINC000281706728 394857142 /nfs/dbraw/zinc/85/71/42/394857142.db2.gz UEUGJKAOQXAJIH-UHFFFAOYSA-N 2 1 282.819 2.173 20 0 CEADMP C[N@H+]1CC[C@H](NCC(C)(C)[NH3+])C[C@@H]1c1ccccc1 ZINC000423283260 394888983 /nfs/dbraw/zinc/88/89/83/394888983.db2.gz FBNAEALPCXULKI-LSDHHAIUSA-N 2 1 261.413 2.149 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H](C[NH3+])C2CC2)C[C@H]1c1ccccc1 ZINC000423272424 394889158 /nfs/dbraw/zinc/88/91/58/394889158.db2.gz HYORBIDEZSFUOG-ULQDDVLXSA-N 2 1 273.424 2.149 20 0 CEADMP C[C@H](C[NH3+])CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423299886 394889874 /nfs/dbraw/zinc/88/98/74/394889874.db2.gz CNIBREBLYVAWNM-FVQBIDKESA-N 2 1 261.413 2.006 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000423299886 394889876 /nfs/dbraw/zinc/88/98/76/394889876.db2.gz CNIBREBLYVAWNM-FVQBIDKESA-N 2 1 261.413 2.006 20 0 CEADMP CC(C)c1ccc(CC[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415104634 394891558 /nfs/dbraw/zinc/89/15/58/394891558.db2.gz HHBGRJGUPBYFKN-KRWDZBQOSA-N 2 1 276.424 2.402 20 0 CEADMP CC(C)c1ccc(CC[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415104634 394891560 /nfs/dbraw/zinc/89/15/60/394891560.db2.gz HHBGRJGUPBYFKN-KRWDZBQOSA-N 2 1 276.424 2.402 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC[N@@H+]1C ZINC000337531639 394896737 /nfs/dbraw/zinc/89/67/37/394896737.db2.gz DKHFVLNTMUAFPG-DDHJBXDOSA-N 2 1 262.344 2.219 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC[N@H+]1C ZINC000337531639 394896743 /nfs/dbraw/zinc/89/67/43/394896743.db2.gz DKHFVLNTMUAFPG-DDHJBXDOSA-N 2 1 262.344 2.219 20 0 CEADMP C[C@@H](C[NH3+])N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423362995 394901207 /nfs/dbraw/zinc/90/12/07/394901207.db2.gz IQLVZRKPEPRHOC-DZOHQFGASA-N 2 1 287.451 2.224 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423366371 394902478 /nfs/dbraw/zinc/90/24/78/394902478.db2.gz CNTMBQPZQJWSID-BBRMVZONSA-N 2 1 289.423 2.311 20 0 CEADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000131411134 394910622 /nfs/dbraw/zinc/91/06/22/394910622.db2.gz CZRUJOLZYBWPKA-CABCVRRESA-N 2 1 255.450 2.038 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000131411134 394910623 /nfs/dbraw/zinc/91/06/23/394910623.db2.gz CZRUJOLZYBWPKA-CABCVRRESA-N 3 1 255.450 2.038 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000131411134 394910625 /nfs/dbraw/zinc/91/06/25/394910625.db2.gz CZRUJOLZYBWPKA-CABCVRRESA-N 3 1 255.450 2.038 20 0 CEADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nnn1-c1ccccc1 ZINC000423396110 394913610 /nfs/dbraw/zinc/91/36/10/394913610.db2.gz SFRYHQWHCCHEFD-NWANDNLSSA-N 2 1 299.422 2.496 20 0 CEADMP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1OC ZINC000423399134 394914423 /nfs/dbraw/zinc/91/44/23/394914423.db2.gz PKXUQEMYPCSVOQ-QJPTWQEYSA-N 2 1 266.385 2.133 20 0 CEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cnc2ccsc2c1 ZINC000423428931 394919856 /nfs/dbraw/zinc/91/98/56/394919856.db2.gz JSZKMRMWXVDBPE-GJTWSCIVSA-N 2 1 259.378 2.165 20 0 CEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)c(F)c1 ZINC000423428509 394919938 /nfs/dbraw/zinc/91/99/38/394919938.db2.gz JFPYXCVDYQVMLT-PZWLIILKSA-N 2 1 299.187 2.457 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])CC2CCCCC2)CC[N@H+]1C ZINC000423430841 394920780 /nfs/dbraw/zinc/92/07/80/394920780.db2.gz UPYRIHCFSWSFBK-BMFZPTHFSA-N 2 1 295.471 2.225 20 0 CEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)c(Br)c1 ZINC000423430213 394920894 /nfs/dbraw/zinc/92/08/94/394920894.db2.gz KRTWCMOJWVAJDO-PZWLIILKSA-N 2 1 299.187 2.457 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@H]2CCC[C@H]21 ZINC000423430352 394920930 /nfs/dbraw/zinc/92/09/30/394920930.db2.gz UHFHDBJJGSMTGJ-OVYGPGRDSA-N 3 1 279.472 2.214 20 0 CEADMP CN1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@H]2CCC[C@H]21 ZINC000423430352 394920932 /nfs/dbraw/zinc/92/09/32/394920932.db2.gz UHFHDBJJGSMTGJ-OVYGPGRDSA-N 2 1 279.472 2.214 20 0 CEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(OC(F)F)cc1 ZINC000423442630 394922127 /nfs/dbraw/zinc/92/21/27/394922127.db2.gz VDJJXOVQFSCNOC-KMLBCRHOSA-N 2 1 268.307 2.156 20 0 CEADMP Cc1ccnc([C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000423472228 394927138 /nfs/dbraw/zinc/92/71/38/394927138.db2.gz HWGHEHLKYODWBM-NWDGAFQWSA-N 2 1 269.339 2.285 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(OC)c1 ZINC000423500884 394937426 /nfs/dbraw/zinc/93/74/26/394937426.db2.gz DEGWGYOCWHCETL-HZPDHXFCSA-N 2 1 278.396 2.114 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423506316 394939036 /nfs/dbraw/zinc/93/90/36/394939036.db2.gz IDRGLSQXOMTHKA-LXTVHRRPSA-N 2 1 254.418 2.108 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)o1 ZINC000423507626 394940123 /nfs/dbraw/zinc/94/01/23/394940123.db2.gz JVGGXNTZJCTXSE-FHERZECASA-N 2 1 291.439 2.455 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000339073317 394940903 /nfs/dbraw/zinc/94/09/03/394940903.db2.gz BQCHMGPGJBDLEX-PMPSAXMXSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C)COC2)C[C@H]1c1ccccc1 ZINC000340232855 394982251 /nfs/dbraw/zinc/98/22/51/394982251.db2.gz BCBYWYKBDNQGDM-HOTGVXAUSA-N 2 1 274.408 2.448 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)COC2)C[C@H]1c1ccccc1 ZINC000340232855 394982252 /nfs/dbraw/zinc/98/22/52/394982252.db2.gz BCBYWYKBDNQGDM-HOTGVXAUSA-N 2 1 274.408 2.448 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000423790191 394987871 /nfs/dbraw/zinc/98/78/71/394987871.db2.gz ZKXPBMNQBQTGGI-MAZHCROVSA-N 2 1 287.407 2.015 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000285942534 394988064 /nfs/dbraw/zinc/98/80/64/394988064.db2.gz DNGQISXECNXQAK-NSHDSACASA-N 2 1 294.420 2.447 20 0 CEADMP COC(=O)c1csc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000285942532 394988083 /nfs/dbraw/zinc/98/80/83/394988083.db2.gz DNGQISXECNXQAK-LLVKDONJSA-N 2 1 294.420 2.447 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000340714226 394990223 /nfs/dbraw/zinc/99/02/23/394990223.db2.gz SMBLDXMPVQZHFM-QGZVFWFLSA-N 3 1 281.488 2.430 20 0 CEADMP CCCC[N@H+](C)CC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000340714226 394990226 /nfs/dbraw/zinc/99/02/26/394990226.db2.gz SMBLDXMPVQZHFM-QGZVFWFLSA-N 2 1 281.488 2.430 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000340714226 394990229 /nfs/dbraw/zinc/99/02/29/394990229.db2.gz SMBLDXMPVQZHFM-QGZVFWFLSA-N 2 1 281.488 2.430 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C)c1 ZINC000286084749 395010288 /nfs/dbraw/zinc/01/02/88/395010288.db2.gz MLNDFVHVELVOBE-SJORKVTESA-N 2 1 276.424 2.492 20 0 CEADMP Cc1cn2c(n1)[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)CCC2 ZINC000370676247 395010741 /nfs/dbraw/zinc/01/07/41/395010741.db2.gz JNTDXBKVCXGUOL-CQSZACIVSA-N 2 1 299.422 2.320 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423738066 394973235 /nfs/dbraw/zinc/97/32/35/394973235.db2.gz BLPHCSMQULHSMX-GDBMZVCRSA-N 2 1 295.471 2.084 20 0 CEADMP COCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340168180 394978860 /nfs/dbraw/zinc/97/88/60/394978860.db2.gz QJPUOPZDRFHZHH-HZPDHXFCSA-N 2 1 262.397 2.448 20 0 CEADMP COCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340168180 394978865 /nfs/dbraw/zinc/97/88/65/394978865.db2.gz QJPUOPZDRFHZHH-HZPDHXFCSA-N 2 1 262.397 2.448 20 0 CEADMP CC[N@@H+](C)CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000158752843 395053387 /nfs/dbraw/zinc/05/33/87/395053387.db2.gz LJTZHHRYGYLZOY-UHFFFAOYSA-N 2 1 267.461 2.325 20 0 CEADMP CCc1noc([C@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000158789526 395053411 /nfs/dbraw/zinc/05/34/11/395053411.db2.gz BRLQKTGMJBGUCK-YNEHKIRRSA-N 2 1 278.400 2.109 20 0 CEADMP CO[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C(F)(F)F ZINC000345475025 395067357 /nfs/dbraw/zinc/06/73/57/395067357.db2.gz BMADGRZVFCNUBN-NNYUYHANSA-N 2 1 282.350 2.272 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21)C[NH+](C)C ZINC000425944577 395071249 /nfs/dbraw/zinc/07/12/49/395071249.db2.gz XTLVXKGOCIBWKT-RISCZKNCSA-N 2 1 293.386 2.386 20 0 CEADMP CN(CCC[N@@H+](C)Cc1ccccc1)CC[NH+](C)C ZINC000289490677 395078759 /nfs/dbraw/zinc/07/87/59/395078759.db2.gz SNIMSTNRSZANOM-UHFFFAOYSA-N 2 1 263.429 2.002 20 0 CEADMP C[C@H]1CC[N@@H+](CCN2CCCCC2)C[C@@H]1n1ccnc1 ZINC000163287377 395083487 /nfs/dbraw/zinc/08/34/87/395083487.db2.gz MDRGWTSTEIPBHF-HOTGVXAUSA-N 2 1 276.428 2.252 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](O)c1ccccc1 ZINC000290315286 395098723 /nfs/dbraw/zinc/09/87/23/395098723.db2.gz NYYVXOWQSYBJPT-ORQFMDKSSA-N 2 1 274.408 2.325 20 0 CEADMP COc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cn1 ZINC000436409667 395115001 /nfs/dbraw/zinc/11/50/01/395115001.db2.gz AMZALKGOTXTVRL-AWEZNQCLSA-N 2 1 277.412 2.444 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000494565203 395122221 /nfs/dbraw/zinc/12/22/21/395122221.db2.gz MNLQVBIJPQQSLV-KBPBESRZSA-N 2 1 251.349 2.183 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494678499 395135611 /nfs/dbraw/zinc/13/56/11/395135611.db2.gz BQSQWUWODJWVKM-CVEARBPZSA-N 2 1 295.471 2.289 20 0 CEADMP CCC(CC)(CC(=O)OC)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000348257254 395141675 /nfs/dbraw/zinc/14/16/75/395141675.db2.gz PVEHUYJIBTWKCC-ZDUSSCGKSA-N 2 1 270.417 2.182 20 0 CEADMP C[C@H](C[NH2+]Cc1cc2ccccc2[nH]c1=O)C[NH+](C)C ZINC000291687747 395154011 /nfs/dbraw/zinc/15/40/11/395154011.db2.gz IRWIJGFAFGEJGH-GFCCVEGCSA-N 2 1 273.380 2.228 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000380895738 395169253 /nfs/dbraw/zinc/16/92/53/395169253.db2.gz MJKRFCJVIPFXAS-MWDXBVQZSA-N 2 1 274.408 2.433 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000380867161 395169712 /nfs/dbraw/zinc/16/97/12/395169712.db2.gz GNOTUIDFIJBLFL-GOEBONIOSA-N 2 1 262.397 2.306 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000178836116 395175233 /nfs/dbraw/zinc/17/52/33/395175233.db2.gz NBEOZCHQEZUHDY-ZBFHGGJFSA-N 2 1 291.439 2.171 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)CC1 ZINC000178979500 395176931 /nfs/dbraw/zinc/17/69/31/395176931.db2.gz ZOYXZCBDOOTDOK-SFHVURJKSA-N 3 1 293.499 2.430 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000439007112 395243067 /nfs/dbraw/zinc/24/30/67/395243067.db2.gz YDZGOXKGDFULDN-SOUVJXGZSA-N 2 1 270.461 2.494 20 0 CEADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000438999357 395243345 /nfs/dbraw/zinc/24/33/45/395243345.db2.gz KIDNXIOFTJZVGO-IRXDYDNUSA-N 2 1 281.488 2.428 20 0 CEADMP CCn1cncc1CN(C)CCC[N@@H+](C)Cc1ccco1 ZINC000418061914 395189006 /nfs/dbraw/zinc/18/90/06/395189006.db2.gz YFCAOWOSBMWUTD-UHFFFAOYSA-N 2 1 290.411 2.450 20 0 CEADMP COCC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000384351462 395192828 /nfs/dbraw/zinc/19/28/28/395192828.db2.gz HLRZIELRPKYDCQ-HNNXBMFYSA-N 2 1 262.397 2.135 20 0 CEADMP CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000433149074 395203987 /nfs/dbraw/zinc/20/39/87/395203987.db2.gz COZUHQJYJUYLBB-CYBMUJFWSA-N 2 1 295.452 2.024 20 0 CEADMP CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000433149074 395203990 /nfs/dbraw/zinc/20/39/90/395203990.db2.gz COZUHQJYJUYLBB-CYBMUJFWSA-N 2 1 295.452 2.024 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]CC[C@@H]1CCOC1 ZINC000438206191 395212408 /nfs/dbraw/zinc/21/24/08/395212408.db2.gz IPQNBTPKWKCGSP-XUWVNRHRSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]CC[C@@H]1CCOC1 ZINC000438206191 395212414 /nfs/dbraw/zinc/21/24/14/395212414.db2.gz IPQNBTPKWKCGSP-XUWVNRHRSA-N 2 1 268.445 2.369 20 0 CEADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181628753 395220600 /nfs/dbraw/zinc/22/06/00/395220600.db2.gz VMSFSHXIGPLEET-GYSYKLTISA-N 2 1 265.401 2.467 20 0 CEADMP CO[C@@]1(C)C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1(C)C ZINC000185208909 395277832 /nfs/dbraw/zinc/27/78/32/395277832.db2.gz HBAYKSDOVQFJKP-ZBFHGGJFSA-N 2 1 277.412 2.441 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)sn1 ZINC000404457023 395284260 /nfs/dbraw/zinc/28/42/60/395284260.db2.gz KOKLXFMEYFZRDA-NSHDSACASA-N 2 1 251.399 2.025 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)sn1 ZINC000404457023 395284262 /nfs/dbraw/zinc/28/42/62/395284262.db2.gz KOKLXFMEYFZRDA-NSHDSACASA-N 2 1 251.399 2.025 20 0 CEADMP c1ccc(NC[C@@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)nc1 ZINC000420322067 395326136 /nfs/dbraw/zinc/32/61/36/395326136.db2.gz RZKYOSQDDCWCTC-CVEARBPZSA-N 2 1 288.439 2.205 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353511361 395299789 /nfs/dbraw/zinc/29/97/89/395299789.db2.gz AZMZAJWMDZTOEF-YLFCFFPRSA-N 2 1 282.472 2.494 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420295030 395300358 /nfs/dbraw/zinc/30/03/58/395300358.db2.gz BVAQMQMILKJPHL-JYJNAYRXSA-N 2 1 295.471 2.003 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CC[NH2+]C2)C1(C)C ZINC000420295191 395300909 /nfs/dbraw/zinc/30/09/09/395300909.db2.gz BVNZAZZQHWVHDG-BFHYXJOUSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1cccc([C@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)c1 ZINC000420322191 395326391 /nfs/dbraw/zinc/32/63/91/395326391.db2.gz SDVDNMGUXXVOLH-QGZVFWFLSA-N 2 1 273.424 2.037 20 0 CEADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000420300032 395306089 /nfs/dbraw/zinc/30/60/89/395306089.db2.gz GYLMFNWYPGVOGJ-XDNAFOTISA-N 2 1 288.435 2.182 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CC(C)C)cc1 ZINC000420302320 395308156 /nfs/dbraw/zinc/30/81/56/395308156.db2.gz JPNMHPAMYSLKKN-CQSZACIVSA-N 2 1 250.386 2.325 20 0 CEADMP COC(=O)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420303124 395308205 /nfs/dbraw/zinc/30/82/05/395308205.db2.gz HBYXGLJTWVRLPI-IMJJTQAJSA-N 2 1 288.391 2.032 20 0 CEADMP C[C@H](O)C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000420304440 395309619 /nfs/dbraw/zinc/30/96/19/395309619.db2.gz OMCCMMLCTKXXCN-LSDHHAIUSA-N 2 1 268.445 2.392 20 0 CEADMP Cc1cccc([C@@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)c1C ZINC000420309466 395312725 /nfs/dbraw/zinc/31/27/25/395312725.db2.gz TYUGHGMUQRYCHO-SFHVURJKSA-N 2 1 287.451 2.346 20 0 CEADMP c1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)oc1C1CC1 ZINC000420311729 395314659 /nfs/dbraw/zinc/31/46/59/395314659.db2.gz HOJXEBHWBPMKFA-CQSZACIVSA-N 2 1 275.396 2.374 20 0 CEADMP CC[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420325684 395327278 /nfs/dbraw/zinc/32/72/78/395327278.db2.gz WQQKGOKQGAVKEV-XIRDDKMYSA-N 2 1 276.424 2.039 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1cccc(F)c1 ZINC000420324970 395327461 /nfs/dbraw/zinc/32/74/61/395327461.db2.gz VVVHHIBPNVSARS-ZDUSSCGKSA-N 2 1 293.386 2.086 20 0 CEADMP c1ccc([C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420317095 395320210 /nfs/dbraw/zinc/32/02/10/395320210.db2.gz NBNLXWDSSNWKQG-ZBFHGGJFSA-N 2 1 260.381 2.060 20 0 CEADMP C[C@H](c1cnccn1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420318107 395321484 /nfs/dbraw/zinc/32/14/84/395321484.db2.gz PILQFQCSSAEZHR-BMFZPTHFSA-N 2 1 282.391 2.212 20 0 CEADMP Cc1noc(CCC[N@@H+](CCC[NH3+])Cc2ccccc2)n1 ZINC000420319595 395321773 /nfs/dbraw/zinc/32/17/73/395321773.db2.gz XWJNNHAJZHACAR-UHFFFAOYSA-N 2 1 288.395 2.162 20 0 CEADMP Fc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420318767 395321887 /nfs/dbraw/zinc/32/18/87/395321887.db2.gz OVVMUXTWVFWRQM-BBRMVZONSA-N 2 1 278.371 2.199 20 0 CEADMP c1csc(N2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000420320842 395323149 /nfs/dbraw/zinc/32/31/49/395323149.db2.gz QIFNVPGMLYHRIX-AWEZNQCLSA-N 2 1 294.468 2.045 20 0 CEADMP C[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000521928320 395256948 /nfs/dbraw/zinc/25/69/48/395256948.db2.gz LAWQKPAQMROBRA-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)on1 ZINC000352489285 395260083 /nfs/dbraw/zinc/26/00/83/395260083.db2.gz ZITJKHQPRWXTND-UHFFFAOYSA-N 2 1 251.374 2.324 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CO1 ZINC000401806300 395262076 /nfs/dbraw/zinc/26/20/76/395262076.db2.gz AHLZNAMYERYZGI-GOEBONIOSA-N 2 1 262.397 2.276 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420321761 395323656 /nfs/dbraw/zinc/32/36/56/395323656.db2.gz RQCVOJCRHPMZPP-AWEZNQCLSA-N 2 1 250.386 2.469 20 0 CEADMP Cc1cncc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000184352031 395272275 /nfs/dbraw/zinc/27/22/75/395272275.db2.gz KTIQREIYDRUUHH-DOTOQJQBSA-N 2 1 291.439 2.278 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1 ZINC000420367305 395353820 /nfs/dbraw/zinc/35/38/20/395353820.db2.gz VJKROLYWPJPNST-UNEWFSDZSA-N 2 1 292.423 2.094 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCc1nc2ccccc2n1C ZINC000420371753 395358393 /nfs/dbraw/zinc/35/83/93/395358393.db2.gz PQFXSOHGELFFMC-XNJGSVPQSA-N 2 1 286.423 2.092 20 0 CEADMP CC(C)N(CCc1c[nH+]cn1C)CC(=O)OC(C)(C)C ZINC000298455048 395359603 /nfs/dbraw/zinc/35/96/03/395359603.db2.gz OCNRPMNLRNJVLO-UHFFFAOYSA-N 2 1 281.400 2.015 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000420375749 395360085 /nfs/dbraw/zinc/36/00/85/395360085.db2.gz PQUFDBQGDVXTQH-ZDUSSCGKSA-N 2 1 298.814 2.159 20 0 CEADMP CCc1cccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420390715 395367825 /nfs/dbraw/zinc/36/78/25/395367825.db2.gz ZRVWRTRTLGTVNL-KRWDZBQOSA-N 2 1 299.422 2.136 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000334388939 289066375 /nfs/dbraw/zinc/06/63/75/289066375.db2.gz REIFWVNAVCFDGT-KNIAUWFNSA-N 3 1 265.445 2.076 20 0 CEADMP CC[N@@H+](CCC(=O)Nc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435617949 395378853 /nfs/dbraw/zinc/37/88/53/395378853.db2.gz XNSGDASHRWOCDL-MRXNPFEDSA-N 2 1 289.423 2.479 20 0 CEADMP CC[N@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[NH2+]CC1 ZINC000435628115 395380225 /nfs/dbraw/zinc/38/02/25/395380225.db2.gz PPYUEIZMMOWOEO-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[NH2+]CC1 ZINC000435628115 395380228 /nfs/dbraw/zinc/38/02/28/395380228.db2.gz PPYUEIZMMOWOEO-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442782829 395394799 /nfs/dbraw/zinc/39/47/99/395394799.db2.gz SDBGDSHZJHYIQX-YPMHNXCESA-N 2 1 293.386 2.132 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326067 395328008 /nfs/dbraw/zinc/32/80/08/395328008.db2.gz JDMYXUVFAWGGTE-HOTGVXAUSA-N 2 1 268.445 2.371 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331084 395331155 /nfs/dbraw/zinc/33/11/55/395331155.db2.gz QOXULIPIPUUKSW-LSDHHAIUSA-N 2 1 282.428 2.041 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331150 395331283 /nfs/dbraw/zinc/33/12/83/395331283.db2.gz BRSFQWLRIPFTQB-KKUMJFAQSA-N 2 1 295.471 2.001 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331153 395331341 /nfs/dbraw/zinc/33/13/41/395331341.db2.gz BRSFQWLRIPFTQB-RRFJBIMHSA-N 2 1 295.471 2.001 20 0 CEADMP CCCCc1noc([C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000420334934 395332973 /nfs/dbraw/zinc/33/29/73/395332973.db2.gz LNGMZDDWBUTXOE-MCIONIFRSA-N 2 1 292.427 2.405 20 0 CEADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420352232 395340805 /nfs/dbraw/zinc/34/08/05/395340805.db2.gz LUDDPTAKCOWOJV-BLLLJJGKSA-N 2 1 258.365 2.152 20 0 CEADMP CC[N@H+](CCc1nccs1)CC[C@@H]1CCC[NH2+]C1 ZINC000420353264 395341336 /nfs/dbraw/zinc/34/13/36/395341336.db2.gz BMMWIPYOUGZODP-ZDUSSCGKSA-N 2 1 267.442 2.397 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000434988557 395341858 /nfs/dbraw/zinc/34/18/58/395341858.db2.gz UGGIXOHDOKMSBU-GFCCVEGCSA-N 2 1 274.368 2.053 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000434988557 395341862 /nfs/dbraw/zinc/34/18/62/395341862.db2.gz UGGIXOHDOKMSBU-GFCCVEGCSA-N 2 1 274.368 2.053 20 0 CEADMP Cn1cncc1CC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000297773543 395348795 /nfs/dbraw/zinc/34/87/95/395348795.db2.gz VVFHYCPKKLOYDG-UHFFFAOYSA-N 2 1 268.364 2.147 20 0 CEADMP C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364127 395349419 /nfs/dbraw/zinc/34/94/19/395349419.db2.gz CQIKHAMEMIKCMT-WMZOPIPTSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364127 395349423 /nfs/dbraw/zinc/34/94/23/395349423.db2.gz CQIKHAMEMIKCMT-WMZOPIPTSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364127 395349428 /nfs/dbraw/zinc/34/94/28/395349428.db2.gz CQIKHAMEMIKCMT-WMZOPIPTSA-N 3 1 291.483 2.325 20 0 CEADMP C(C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364127 395349432 /nfs/dbraw/zinc/34/94/32/395349432.db2.gz CQIKHAMEMIKCMT-WMZOPIPTSA-N 2 1 291.483 2.325 20 0 CEADMP C(C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364127 395349435 /nfs/dbraw/zinc/34/94/35/395349435.db2.gz CQIKHAMEMIKCMT-WMZOPIPTSA-N 2 1 291.483 2.325 20 0 CEADMP C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364127 395349440 /nfs/dbraw/zinc/34/94/40/395349440.db2.gz CQIKHAMEMIKCMT-WMZOPIPTSA-N 2 1 291.483 2.325 20 0 CEADMP C(CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC[NH2+]CC1 ZINC000420364127 395349444 /nfs/dbraw/zinc/34/94/44/395349444.db2.gz CQIKHAMEMIKCMT-WMZOPIPTSA-N 2 1 291.483 2.325 20 0 CEADMP COCCC[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000445220160 395461093 /nfs/dbraw/zinc/46/10/93/395461093.db2.gz LAOYAYMNJCFQDO-UHFFFAOYSA-N 2 1 282.350 2.372 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CCCSc1ccccc1)C1CC1 ZINC000565417522 395469799 /nfs/dbraw/zinc/46/97/99/395469799.db2.gz VBJBRKRRXCXFET-OAHLLOKOSA-N 2 1 294.464 2.214 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CCCSc1ccccc1)C1CC1 ZINC000565417522 395469802 /nfs/dbraw/zinc/46/98/02/395469802.db2.gz VBJBRKRRXCXFET-OAHLLOKOSA-N 2 1 294.464 2.214 20 0 CEADMP O[C@H]1CC[N@H+](C2CCN(Cc3ccc4cc[nH]c4c3)CC2)C1 ZINC000529620506 395422186 /nfs/dbraw/zinc/42/21/86/395422186.db2.gz GMEQSDWDIFJFRG-KRWDZBQOSA-N 2 1 299.418 2.199 20 0 CEADMP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)C1 ZINC000529620506 395422192 /nfs/dbraw/zinc/42/21/92/395422192.db2.gz GMEQSDWDIFJFRG-KRWDZBQOSA-N 2 1 299.418 2.199 20 0 CEADMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)C1 ZINC000529620506 395422197 /nfs/dbraw/zinc/42/21/97/395422197.db2.gz GMEQSDWDIFJFRG-KRWDZBQOSA-N 2 1 299.418 2.199 20 0 CEADMP CN(CCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000444624628 395442042 /nfs/dbraw/zinc/44/20/42/395442042.db2.gz FQABLAOIVWROJZ-MRXNPFEDSA-N 2 1 265.445 2.031 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCO[C@H]2CCCCO2)C[C@H]1C ZINC000444654602 395443710 /nfs/dbraw/zinc/44/37/10/395443710.db2.gz XRTMGBUJFZJJEF-PMPSAXMXSA-N 2 1 284.444 2.334 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCO[C@H]2CCCCO2)C[C@H]1C ZINC000444654602 395443714 /nfs/dbraw/zinc/44/37/14/395443714.db2.gz XRTMGBUJFZJJEF-PMPSAXMXSA-N 2 1 284.444 2.334 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO[C@H]2CCCCO2)C[C@H]1C ZINC000444654602 395443717 /nfs/dbraw/zinc/44/37/17/395443717.db2.gz XRTMGBUJFZJJEF-PMPSAXMXSA-N 2 1 284.444 2.334 20 0 CEADMP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000566225476 395507222 /nfs/dbraw/zinc/50/72/22/395507222.db2.gz QAOJCSUEFCOHPF-ZDUSSCGKSA-N 2 1 285.391 2.414 20 0 CEADMP COc1nc2ccccc2cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000566225476 395507223 /nfs/dbraw/zinc/50/72/23/395507223.db2.gz QAOJCSUEFCOHPF-ZDUSSCGKSA-N 2 1 285.391 2.414 20 0 CEADMP COC[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000448556771 395516860 /nfs/dbraw/zinc/51/68/60/395516860.db2.gz REYYYEMKISTAQI-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP COC[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000448556771 395516863 /nfs/dbraw/zinc/51/68/63/395516863.db2.gz REYYYEMKISTAQI-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@@H]1[NH3+] ZINC000567864705 395537373 /nfs/dbraw/zinc/53/73/73/395537373.db2.gz KIQPRDJGXQWIEQ-CJNGLKHVSA-N 2 1 282.391 2.313 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@@H]1[NH3+] ZINC000567864705 395537376 /nfs/dbraw/zinc/53/73/76/395537376.db2.gz KIQPRDJGXQWIEQ-CJNGLKHVSA-N 2 1 282.391 2.313 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000567897037 395540175 /nfs/dbraw/zinc/54/01/75/395540175.db2.gz AQMZKJCQNUKXFE-HZPDHXFCSA-N 2 1 289.423 2.066 20 0 CEADMP CC1(C)CCC[N@@H+](CCN[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000446840070 395499773 /nfs/dbraw/zinc/49/97/73/395499773.db2.gz XBVIXLHHLJKBLM-HOTGVXAUSA-N 2 1 279.472 2.325 20 0 CEADMP CC1(C)CCC[NH+](CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000446840070 395499776 /nfs/dbraw/zinc/49/97/76/395499776.db2.gz XBVIXLHHLJKBLM-HOTGVXAUSA-N 2 1 279.472 2.325 20 0 CEADMP CC1(C)CCC[NH+](CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000446840070 395499779 /nfs/dbraw/zinc/49/97/79/395499779.db2.gz XBVIXLHHLJKBLM-HOTGVXAUSA-N 2 1 279.472 2.325 20 0 CEADMP CCCN1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000446887287 395501246 /nfs/dbraw/zinc/50/12/46/395501246.db2.gz QKHMYWNIZIJGMH-UHFFFAOYSA-N 2 1 279.472 2.325 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC[NH+](C2CC2)CC1 ZINC000446887484 395501293 /nfs/dbraw/zinc/50/12/93/395501293.db2.gz ULOPPJUYSOHRGA-DOTOQJQBSA-N 3 1 277.456 2.077 20 0 CEADMP C[C@H]([NH2+]CCCC(=O)N(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000572971326 395596852 /nfs/dbraw/zinc/59/68/52/395596852.db2.gz ASQIWIUJHAFPCJ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[C@@]1(C)CCC[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000451292065 395603911 /nfs/dbraw/zinc/60/39/11/395603911.db2.gz SHPTWLGKCMHGKS-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@@]1(C)CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000451292065 395603913 /nfs/dbraw/zinc/60/39/13/395603913.db2.gz SHPTWLGKCMHGKS-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@@]1(C)CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000451292065 395603915 /nfs/dbraw/zinc/60/39/15/395603915.db2.gz SHPTWLGKCMHGKS-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@@]1(C)CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000451292065 395603917 /nfs/dbraw/zinc/60/39/17/395603917.db2.gz SHPTWLGKCMHGKS-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@@]1(C)CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000451292065 395603919 /nfs/dbraw/zinc/60/39/19/395603919.db2.gz SHPTWLGKCMHGKS-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000451423887 395616497 /nfs/dbraw/zinc/61/64/97/395616497.db2.gz RXVYFADISAWPIW-BRWVUGGUSA-N 2 1 280.456 2.488 20 0 CEADMP CCCC[C@H](C[NH3+])NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000568233906 395552060 /nfs/dbraw/zinc/55/20/60/395552060.db2.gz QUFURJSONKYHHL-CQSZACIVSA-N 2 1 298.475 2.020 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC[C@H](C)O ZINC000450855852 395579705 /nfs/dbraw/zinc/57/97/05/395579705.db2.gz NSWLLNXKRRIJSB-AWEZNQCLSA-N 2 1 267.417 2.319 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC[C@H](C)O ZINC000450855852 395579706 /nfs/dbraw/zinc/57/97/06/395579706.db2.gz NSWLLNXKRRIJSB-AWEZNQCLSA-N 2 1 267.417 2.319 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000573970216 395623326 /nfs/dbraw/zinc/62/33/26/395623326.db2.gz BYTVVAXYQIKGDF-DFBGVHRSSA-N 2 1 298.390 2.095 20 0 CEADMP CC(C)CC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000574070896 395626032 /nfs/dbraw/zinc/62/60/32/395626032.db2.gz ANWFTQBLMQPWDL-JKSUJKDBSA-N 2 1 270.461 2.351 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@@H](c1ncc[nH]1)c1cccnc1 ZINC000575325255 395659308 /nfs/dbraw/zinc/65/93/08/395659308.db2.gz FWPXBIOZTYVHAQ-OAHLLOKOSA-N 2 1 299.422 2.358 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC[N@@H+]1C ZINC000647339153 395705771 /nfs/dbraw/zinc/70/57/71/395705771.db2.gz JXKDYQCCDKUHOK-XLNGHYISSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC[N@H+]1C ZINC000647339153 395705773 /nfs/dbraw/zinc/70/57/73/395705773.db2.gz JXKDYQCCDKUHOK-XLNGHYISSA-N 2 1 289.423 2.374 20 0 CEADMP CC(C)([NH3+])CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000647513602 395724125 /nfs/dbraw/zinc/72/41/25/395724125.db2.gz NZKOOILLNDRCGD-UHFFFAOYSA-N 2 1 276.380 2.024 20 0 CEADMP COc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc(OC)c1 ZINC000647482992 395720142 /nfs/dbraw/zinc/72/01/42/395720142.db2.gz PXJVFMNCHNRJDO-UHFFFAOYSA-N 2 1 290.407 2.420 20 0 CEADMP COc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc(OC)c1 ZINC000647482992 395720144 /nfs/dbraw/zinc/72/01/44/395720144.db2.gz PXJVFMNCHNRJDO-UHFFFAOYSA-N 2 1 290.407 2.420 20 0 CEADMP COc1cccc(-c2n[nH]cc2C[NH+]2CCC([NH3+])CC2)c1 ZINC000647481810 395720380 /nfs/dbraw/zinc/72/03/80/395720380.db2.gz QGJYCWOHFSRMRC-UHFFFAOYSA-N 2 1 286.379 2.008 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccccc2NC(C)=O)CC[C@@H]1[NH3+] ZINC000647498166 395722242 /nfs/dbraw/zinc/72/22/42/395722242.db2.gz BVYXPTJRYAMXAT-ZFWWWQNUSA-N 2 1 275.396 2.204 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccccc2NC(C)=O)CC[C@@H]1[NH3+] ZINC000647498166 395722244 /nfs/dbraw/zinc/72/22/44/395722244.db2.gz BVYXPTJRYAMXAT-ZFWWWQNUSA-N 2 1 275.396 2.204 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccccc2OCCOC)CC[C@H]1[NH3+] ZINC000647498961 395722332 /nfs/dbraw/zinc/72/23/32/395722332.db2.gz UYPMLFGDIRZCRA-GOEBONIOSA-N 2 1 292.423 2.271 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)CC[C@@H]1[NH3+] ZINC000647499116 395722772 /nfs/dbraw/zinc/72/27/72/395722772.db2.gz ZUFCMMMEDIFBIX-WFASDCNBSA-N 2 1 285.391 2.500 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2c[nH]nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647499015 395722814 /nfs/dbraw/zinc/72/28/14/395722814.db2.gz WUFYZZONOOBAIW-YPMHNXCESA-N 2 1 264.417 2.266 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2c[nH]nc2C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647499015 395722817 /nfs/dbraw/zinc/72/28/17/395722817.db2.gz WUFYZZONOOBAIW-YPMHNXCESA-N 2 1 264.417 2.266 20 0 CEADMP CC[C@H](C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000647507105 395723486 /nfs/dbraw/zinc/72/34/86/395723486.db2.gz JCWXTHQBLJRRBI-FMKPAKJESA-N 2 1 262.397 2.228 20 0 CEADMP CC[C@H](C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000647507105 395723488 /nfs/dbraw/zinc/72/34/88/395723488.db2.gz JCWXTHQBLJRRBI-FMKPAKJESA-N 2 1 262.397 2.228 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000647545812 395732110 /nfs/dbraw/zinc/73/21/10/395732110.db2.gz YOLMKAJWMZAGMD-GJZGRUSLSA-N 2 1 289.423 2.302 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000647535661 395728843 /nfs/dbraw/zinc/72/88/43/395728843.db2.gz RSGZWBCUGANBEF-LBPRGKRZSA-N 2 1 276.359 2.034 20 0 CEADMP c1ccc2c(c1)ccnc2C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000647542465 395730931 /nfs/dbraw/zinc/73/09/31/395730931.db2.gz SAARYDDOPKNABW-GDBMZVCRSA-N 2 1 267.376 2.419 20 0 CEADMP c1ccc2c(c1)ccnc2C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000647542465 395730934 /nfs/dbraw/zinc/73/09/34/395730934.db2.gz SAARYDDOPKNABW-GDBMZVCRSA-N 2 1 267.376 2.419 20 0 CEADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C(C)(C)C ZINC000647545494 395731656 /nfs/dbraw/zinc/73/16/56/395731656.db2.gz YAUVFHOAWTTXDZ-KGLIPLIRSA-N 2 1 268.445 2.356 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)[nH]c2c1 ZINC000647550112 395733249 /nfs/dbraw/zinc/73/32/49/395733249.db2.gz ADHNSLXPHWVPMV-MELADBBJSA-N 2 1 284.407 2.349 20 0 CEADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCc2cnn(-c3ccccc3)c2)C1 ZINC000647550421 395733848 /nfs/dbraw/zinc/73/38/48/395733848.db2.gz PWSKDUABBCLJRO-ZBFHGGJFSA-N 2 1 284.407 2.002 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ncccc1C(F)(F)F ZINC000647552331 395734331 /nfs/dbraw/zinc/73/43/31/395734331.db2.gz RUDGNODHVZSGHZ-IUCAKERBSA-N 2 1 261.291 2.316 20 0 CEADMP C[NH2+]CCC1CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)CC1 ZINC000647705833 395746970 /nfs/dbraw/zinc/74/69/70/395746970.db2.gz PVXLIKBRJXVUNR-UHFFFAOYSA-N 2 1 287.411 2.401 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@@H]([C@H](C)[NH3+])C3)c2c1C ZINC000647704945 395746973 /nfs/dbraw/zinc/74/69/73/395746973.db2.gz PPKSXMIQDUGNHT-CMPLNLGQSA-N 2 1 273.384 2.138 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2c1C ZINC000647709886 395747463 /nfs/dbraw/zinc/74/74/63/395747463.db2.gz ZBSGFEOAONSNBS-ZIAGYGMSSA-N 2 1 299.422 2.401 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000647789516 395754820 /nfs/dbraw/zinc/75/48/20/395754820.db2.gz GWCVOZILLCKXLL-WNRNVDISSA-N 3 1 293.499 2.475 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647797757 395756640 /nfs/dbraw/zinc/75/66/40/395756640.db2.gz BFXNTIDERGQGIW-XDNAFOTISA-N 3 1 293.499 2.475 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000647951258 395782986 /nfs/dbraw/zinc/78/29/86/395782986.db2.gz QZKHLQPDTXLBEU-LBPRGKRZSA-N 2 1 263.385 2.114 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000647870013 395765950 /nfs/dbraw/zinc/76/59/50/395765950.db2.gz AWHVKAUWFDEDBZ-LBPRGKRZSA-N 2 1 258.369 2.341 20 0 CEADMP c1ccc([C@@H]2CSCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647874757 395766992 /nfs/dbraw/zinc/76/69/92/395766992.db2.gz VOCHSYCMKWLPIP-HIFRSBDPSA-N 2 1 262.422 2.386 20 0 CEADMP c1ccc([C@@H]2CSCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647874757 395766994 /nfs/dbraw/zinc/76/69/94/395766994.db2.gz VOCHSYCMKWLPIP-HIFRSBDPSA-N 2 1 262.422 2.386 20 0 CEADMP COc1ccccc1C[N@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647875097 395767477 /nfs/dbraw/zinc/76/74/77/395767477.db2.gz VGMJTLNVRPIZBZ-ZDUSSCGKSA-N 2 1 260.381 2.269 20 0 CEADMP COc1ccccc1C[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647875097 395767478 /nfs/dbraw/zinc/76/74/78/395767478.db2.gz VGMJTLNVRPIZBZ-ZDUSSCGKSA-N 2 1 260.381 2.269 20 0 CEADMP CC[N@@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCOC1 ZINC000647878525 395767723 /nfs/dbraw/zinc/76/77/23/395767723.db2.gz OFRRVGWDJXPEHT-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC(C)(C)C[NH+](C)C ZINC000648718800 395966538 /nfs/dbraw/zinc/96/65/38/395966538.db2.gz DPLUPLBCNAHDMG-ZDUSSCGKSA-N 2 1 294.443 2.101 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CCCC[NH+](C)C ZINC000648790392 395984031 /nfs/dbraw/zinc/98/40/31/395984031.db2.gz KVCISVYKGNRERQ-CQSZACIVSA-N 2 1 294.443 2.197 20 0 CEADMP CCCN(C(=O)CC[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](C)C1 ZINC000649227818 396095703 /nfs/dbraw/zinc/09/57/03/396095703.db2.gz OSPUCMDXORKXIT-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000649227818 396095705 /nfs/dbraw/zinc/09/57/05/396095705.db2.gz OSPUCMDXORKXIT-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCN(C(=O)CC[C@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000649227818 396095706 /nfs/dbraw/zinc/09/57/06/396095706.db2.gz OSPUCMDXORKXIT-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1cccc(Cl)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000649253085 396103448 /nfs/dbraw/zinc/10/34/48/396103448.db2.gz DEJYLJJEMUZXSD-VXGBXAGGSA-N 2 1 250.773 2.300 20 0 CEADMP c1c[nH]c([C@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000649411948 396146330 /nfs/dbraw/zinc/14/63/30/396146330.db2.gz XSJYEJXSMDWDJD-HNNXBMFYSA-N 2 1 276.428 2.369 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000649498498 396171641 /nfs/dbraw/zinc/17/16/41/396171641.db2.gz NDOCRGOKVSHBIW-QGZVFWFLSA-N 2 1 279.472 2.279 20 0 CEADMP Cc1cncc(CC[N@@H+](C)C2CC[NH+](C(C)C)CC2)n1 ZINC000649504024 396173887 /nfs/dbraw/zinc/17/38/87/396173887.db2.gz HLGDOJAGFWCIFM-UHFFFAOYSA-N 2 1 276.428 2.132 20 0 CEADMP Cc1cncc(CC[N@H+](C)C2CC[NH+](C(C)C)CC2)n1 ZINC000649504024 396173889 /nfs/dbraw/zinc/17/38/89/396173889.db2.gz HLGDOJAGFWCIFM-UHFFFAOYSA-N 2 1 276.428 2.132 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](C)CC12CCCCC2 ZINC000649547740 396185541 /nfs/dbraw/zinc/18/55/41/396185541.db2.gz CBBGRIAGGDASLA-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CC[N@H+](C)CC12CCCCC2 ZINC000649547740 396185546 /nfs/dbraw/zinc/18/55/46/396185546.db2.gz CBBGRIAGGDASLA-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CC[N@@H+](C)CC12CCCCC2 ZINC000649547740 396185551 /nfs/dbraw/zinc/18/55/51/396185551.db2.gz CBBGRIAGGDASLA-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP Cc1ccccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102039 396293955 /nfs/dbraw/zinc/29/39/55/396293955.db2.gz CFEQZDVIIRXBMY-UHFFFAOYSA-N 2 1 274.408 2.292 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H]1CCC(F)(F)C1)CCO2 ZINC000646106658 396294836 /nfs/dbraw/zinc/29/48/36/396294836.db2.gz KCEJUFXKVKOMJP-ZDUSSCGKSA-N 2 1 288.382 2.218 20 0 CEADMP Cc1ccc(C2([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)CCC2)cc1 ZINC000646129995 396299008 /nfs/dbraw/zinc/29/90/08/396299008.db2.gz IROXCGJOFXYZEU-KRWDZBQOSA-N 2 1 288.435 2.419 20 0 CEADMP Cc1ccc(C2([NH2+]C[C@H](O)C[N@H+](C)C3CC3)CCC2)cc1 ZINC000646129995 396299012 /nfs/dbraw/zinc/29/90/12/396299012.db2.gz IROXCGJOFXYZEU-KRWDZBQOSA-N 2 1 288.435 2.419 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000646424664 396345888 /nfs/dbraw/zinc/34/58/88/396345888.db2.gz LIABVLGSRHIXKF-ZNMIVQPWSA-N 2 1 293.455 2.122 20 0 CEADMP CC[NH2+]CCCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000646625021 396363739 /nfs/dbraw/zinc/36/37/39/396363739.db2.gz CSSRJLNDYWXPOQ-AWEZNQCLSA-N 2 1 297.830 2.059 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000647179305 396430949 /nfs/dbraw/zinc/43/09/49/396430949.db2.gz OYEXUZPFNUNJQN-KBAYOESNSA-N 2 1 288.435 2.318 20 0 CEADMP Cn1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000647249216 396450270 /nfs/dbraw/zinc/45/02/70/396450270.db2.gz KEGUKFUMWUHICE-MSOLQXFVSA-N 2 1 283.419 2.460 20 0 CEADMP COC1(C[C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000372990553 292126869 /nfs/dbraw/zinc/12/68/69/292126869.db2.gz OVQZRHZXLNSVLB-QWHCGFSZSA-N 2 1 263.385 2.135 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CC1CCCC1 ZINC000300071867 400326079 /nfs/dbraw/zinc/32/60/79/400326079.db2.gz FOULAOXSRUCORI-PMPSAXMXSA-N 2 1 266.429 2.144 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCCC1(C)C ZINC000394124273 400546709 /nfs/dbraw/zinc/54/67/09/400546709.db2.gz ITANXLGRIGMBRX-KBPBESRZSA-N 2 1 256.434 2.246 20 0 CEADMP CCCN(CC[NH+](CC)CC)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000359839255 155149524 /nfs/dbraw/zinc/14/95/24/155149524.db2.gz ZUKPUGVKLQMKJO-IYBDPMFKSA-N 2 1 297.487 2.440 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000650179229 400828160 /nfs/dbraw/zinc/82/81/60/400828160.db2.gz ZTOMSKRWYNAFSE-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP CC1(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CCC1 ZINC000650708093 400999999 /nfs/dbraw/zinc/99/99/99/400999999.db2.gz SWUUQOIRWVCFDE-ZNMIVQPWSA-N 2 1 266.429 2.395 20 0 CEADMP [NH3+]CC1(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000650713876 401004789 /nfs/dbraw/zinc/00/47/89/401004789.db2.gz HNPWCTHZUURAED-CVEARBPZSA-N 3 1 273.424 2.198 20 0 CEADMP COc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1O ZINC000650718397 401007580 /nfs/dbraw/zinc/00/75/80/401007580.db2.gz KKMUXUDUOATTHS-UHFFFAOYSA-N 2 1 290.338 2.288 20 0 CEADMP Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650722152 401011965 /nfs/dbraw/zinc/01/19/65/401011965.db2.gz MJOWVSIHNDBHRL-YUELXQCFSA-N 2 1 295.452 2.312 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cncs2)C1 ZINC000650723952 401012043 /nfs/dbraw/zinc/01/20/43/401012043.db2.gz WDJKHNKPGNBLSH-KWCYVHTRSA-N 2 1 281.425 2.004 20 0 CEADMP Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650722357 401012150 /nfs/dbraw/zinc/01/21/50/401012150.db2.gz QGTLKVQYMYWIHU-NWANDNLSSA-N 2 1 295.452 2.312 20 0 CEADMP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650722357 401012154 /nfs/dbraw/zinc/01/21/54/401012154.db2.gz QGTLKVQYMYWIHU-NWANDNLSSA-N 2 1 295.452 2.312 20 0 CEADMP CC[C@H](C)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650722963 401012287 /nfs/dbraw/zinc/01/22/87/401012287.db2.gz FMDNQASQDNWQNP-GBJTYRQASA-N 2 1 254.418 2.393 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CNc3ccccc3C2)CC[N@@H+]1C ZINC000650751196 401028242 /nfs/dbraw/zinc/02/82/42/401028242.db2.gz QDSCNZHVQKDADL-VHDGCEQUSA-N 2 1 259.397 2.096 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CNc3ccccc3C2)CC[N@H+]1C ZINC000650751196 401028246 /nfs/dbraw/zinc/02/82/46/401028246.db2.gz QDSCNZHVQKDADL-VHDGCEQUSA-N 2 1 259.397 2.096 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000650755344 401032591 /nfs/dbraw/zinc/03/25/91/401032591.db2.gz CISZFQRSASEYSB-CYBMUJFWSA-N 2 1 272.396 2.299 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1cccc2OC ZINC000360035933 155198133 /nfs/dbraw/zinc/19/81/33/155198133.db2.gz CSCCDWQCHAJRET-MRXNPFEDSA-N 2 1 292.423 2.240 20 0 CEADMP CCc1ccc2[nH+]ccc(N3CC([N@H+]4CC[C@@H](O)C4)C3)c2c1 ZINC000651449181 401339486 /nfs/dbraw/zinc/33/94/86/401339486.db2.gz DQGHJZWIVQIOEC-OAHLLOKOSA-N 2 1 297.402 2.052 20 0 CEADMP CC[C@]1(C)CCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000651706776 401374844 /nfs/dbraw/zinc/37/48/44/401374844.db2.gz MIWUUXIPTZZQRD-BFYDXBDKSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000651866066 401406056 /nfs/dbraw/zinc/40/60/56/401406056.db2.gz SQPYESBIIDPFQU-LSDHHAIUSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000651866066 401406059 /nfs/dbraw/zinc/40/60/59/401406059.db2.gz SQPYESBIIDPFQU-LSDHHAIUSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000651866066 401406060 /nfs/dbraw/zinc/40/60/60/401406060.db2.gz SQPYESBIIDPFQU-LSDHHAIUSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H]([NH2+][C@H](CO)CCF)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000652017762 401433902 /nfs/dbraw/zinc/43/39/02/401433902.db2.gz BXJKBAYJVFPVJR-XIRDDKMYSA-N 2 1 294.414 2.207 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000652222152 401466749 /nfs/dbraw/zinc/46/67/49/401466749.db2.gz GNGXJEWDSXWRRT-ZACQAIPSSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000652222152 401466752 /nfs/dbraw/zinc/46/67/52/401466752.db2.gz GNGXJEWDSXWRRT-ZACQAIPSSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000652222152 401466758 /nfs/dbraw/zinc/46/67/58/401466758.db2.gz GNGXJEWDSXWRRT-ZACQAIPSSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000652222152 401466760 /nfs/dbraw/zinc/46/67/60/401466760.db2.gz GNGXJEWDSXWRRT-ZACQAIPSSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000652222152 401466767 /nfs/dbraw/zinc/46/67/67/401466767.db2.gz GNGXJEWDSXWRRT-ZACQAIPSSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000652222152 401466771 /nfs/dbraw/zinc/46/67/71/401466771.db2.gz GNGXJEWDSXWRRT-ZACQAIPSSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000652222152 401466776 /nfs/dbraw/zinc/46/67/76/401466776.db2.gz GNGXJEWDSXWRRT-ZACQAIPSSA-N 3 1 281.488 2.427 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)[C@H](C)C1 ZINC000361492457 286064625 /nfs/dbraw/zinc/06/46/25/286064625.db2.gz IFVSCDKOZHDNPF-FPCVCCKLSA-N 2 1 286.460 2.136 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000652523431 401536504 /nfs/dbraw/zinc/53/65/04/401536504.db2.gz POGXIQIQINROEV-CQSZACIVSA-N 2 1 285.476 2.247 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000652338544 401489893 /nfs/dbraw/zinc/48/98/93/401489893.db2.gz VFESYHZVFAPYJV-MSOLQXFVSA-N 2 1 290.451 2.302 20 0 CEADMP CCCCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345894 401490765 /nfs/dbraw/zinc/49/07/65/401490765.db2.gz OMKHMFNOIMPHPF-ZNMIVQPWSA-N 2 1 254.418 2.395 20 0 CEADMP CCCCOCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348280 401491424 /nfs/dbraw/zinc/49/14/24/401491424.db2.gz ZWRBVCSLEJPFMD-XHSDSOJGSA-N 2 1 284.444 2.021 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCCc1ccncc1)C2 ZINC000652352816 401491928 /nfs/dbraw/zinc/49/19/28/401491928.db2.gz ZVDPAMXLJPLULV-HOTGVXAUSA-N 2 1 259.397 2.075 20 0 CEADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])CCc2ccc(Cl)cc21 ZINC000652353566 401492404 /nfs/dbraw/zinc/49/24/04/401492404.db2.gz QWUUUPWTYYEFBN-GFCCVEGCSA-N 2 1 282.815 2.277 20 0 CEADMP CC(C)OCCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363003 401494896 /nfs/dbraw/zinc/49/48/96/401494896.db2.gz VHYUOVBATONJEA-OAGGEKHMSA-N 2 1 284.444 2.162 20 0 CEADMP Nc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652363615 401495475 /nfs/dbraw/zinc/49/54/75/401495475.db2.gz JEJUVJRRURXNTR-GVDBMIGSSA-N 2 1 289.423 2.130 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2ccncc2)C1 ZINC000360435549 155296956 /nfs/dbraw/zinc/29/69/56/155296956.db2.gz DZVZHSHBOAJHOJ-INIZCTEOSA-N 2 1 261.413 2.288 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC000360435549 155296959 /nfs/dbraw/zinc/29/69/59/155296959.db2.gz DZVZHSHBOAJHOJ-INIZCTEOSA-N 2 1 261.413 2.288 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2ccncc2)C1 ZINC000360435549 155296963 /nfs/dbraw/zinc/29/69/63/155296963.db2.gz DZVZHSHBOAJHOJ-INIZCTEOSA-N 2 1 261.413 2.288 20 0 CEADMP C[N@H+]1C[C@@H]2CN(Cc3cncnc3)C[C@H]2[C@H]1c1ccccc1 ZINC000360777815 155368986 /nfs/dbraw/zinc/36/89/86/155368986.db2.gz PSWYZPKGMRHBBM-KZNAEPCWSA-N 2 1 294.402 2.211 20 0 CEADMP COc1ccc(OCC[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414674218 286346389 /nfs/dbraw/zinc/34/63/89/286346389.db2.gz DIXVVWWCVLHQOC-CABCVRRESA-N 2 1 292.423 2.394 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)C2CCCCC2)CC[N@@H+]1C ZINC000190633378 153139177 /nfs/dbraw/zinc/13/91/77/153139177.db2.gz FGVAFCYKACXKGU-IMJJTQAJSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)C2CCCCC2)CC[N@H+]1C ZINC000190633378 153139181 /nfs/dbraw/zinc/13/91/81/153139181.db2.gz FGVAFCYKACXKGU-IMJJTQAJSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)C[C@H](O)C2CCCCC2)CC[NH+]1C ZINC000190633378 153139186 /nfs/dbraw/zinc/13/91/86/153139186.db2.gz FGVAFCYKACXKGU-IMJJTQAJSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)C[C@H](O)C2CCCCC2)CC[NH+]1C ZINC000190633378 153139189 /nfs/dbraw/zinc/13/91/89/153139189.db2.gz FGVAFCYKACXKGU-IMJJTQAJSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000190850350 153148410 /nfs/dbraw/zinc/14/84/10/153148410.db2.gz AWUZHZXLGONIFW-INIZCTEOSA-N 2 1 268.445 2.390 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000191407024 153170767 /nfs/dbraw/zinc/17/07/67/153170767.db2.gz UCEPJNDSBLYDEW-CALCHBBNSA-N 2 1 281.488 2.380 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(CCC[NH+](CC)CC)C1 ZINC000191527518 153175995 /nfs/dbraw/zinc/17/59/95/153175995.db2.gz NZWPHUIMRYNQGW-MRXNPFEDSA-N 2 1 269.477 2.382 20 0 CEADMP CC(C)C[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192646107 153214309 /nfs/dbraw/zinc/21/43/09/153214309.db2.gz HQXVDIMMHOJFBQ-ALOPSCKCSA-N 2 1 279.472 2.322 20 0 CEADMP Cc1noc(C)c1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192844389 153219369 /nfs/dbraw/zinc/21/93/69/153219369.db2.gz MCTXOLRMKWHDDC-AGUYFDCRSA-N 2 1 263.385 2.049 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3cncnc3)C2)cc1 ZINC000192920689 153222710 /nfs/dbraw/zinc/22/27/10/153222710.db2.gz JVUDUVYIFALYDN-INIZCTEOSA-N 2 1 282.391 2.088 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3cncnc3)C2)cc1 ZINC000192920689 153222714 /nfs/dbraw/zinc/22/27/14/153222714.db2.gz JVUDUVYIFALYDN-INIZCTEOSA-N 2 1 282.391 2.088 20 0 CEADMP C=Cn1cc(C[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cn1 ZINC000194334921 153252173 /nfs/dbraw/zinc/25/21/73/153252173.db2.gz FMINBDNRENMVJS-UHFFFAOYSA-N 2 1 297.406 2.446 20 0 CEADMP Clc1cnc(CNC[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000225312443 153327501 /nfs/dbraw/zinc/32/75/01/153327501.db2.gz PKKUGKBVQVHJQN-SECBINFHSA-N 2 1 271.817 2.370 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000346695166 154293969 /nfs/dbraw/zinc/29/39/69/154293969.db2.gz YQBZMEKPWSXVLJ-ZDUSSCGKSA-N 2 1 256.434 2.356 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000349115467 154309760 /nfs/dbraw/zinc/30/97/60/154309760.db2.gz CZBCTRLMRHLLGG-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000349115467 154309765 /nfs/dbraw/zinc/30/97/65/154309765.db2.gz CZBCTRLMRHLLGG-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000349115467 154309769 /nfs/dbraw/zinc/30/97/69/154309769.db2.gz CZBCTRLMRHLLGG-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[C@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352732924 154332448 /nfs/dbraw/zinc/33/24/48/154332448.db2.gz ADUMAPVEVAYTBW-NWDGAFQWSA-N 2 1 283.441 2.109 20 0 CEADMP [NH3+]CCOCC[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000357078930 154371336 /nfs/dbraw/zinc/37/13/36/154371336.db2.gz KNIMIZGHIWTWQG-UHFFFAOYSA-N 2 1 276.424 2.449 20 0 CEADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357863644 154392175 /nfs/dbraw/zinc/39/21/75/154392175.db2.gz ZOCIGVVQHYSUAD-HOCLYGCPSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357863644 154392179 /nfs/dbraw/zinc/39/21/79/154392179.db2.gz ZOCIGVVQHYSUAD-HOCLYGCPSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H](C)[NH+]1C ZINC000358740385 154752179 /nfs/dbraw/zinc/75/21/79/154752179.db2.gz QVOUNUFEFKEECD-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OC(C)C ZINC000359472258 155024903 /nfs/dbraw/zinc/02/49/03/155024903.db2.gz KSPUZNNNKRZFFP-GASCZTMLSA-N 2 1 290.407 2.134 20 0 CEADMP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OC(C)C ZINC000359472258 155024909 /nfs/dbraw/zinc/02/49/09/155024909.db2.gz KSPUZNNNKRZFFP-GASCZTMLSA-N 2 1 290.407 2.134 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)N2CCCCC2)[C@@H](C)C1 ZINC000359579075 155061905 /nfs/dbraw/zinc/06/19/05/155061905.db2.gz DHVXPZVKNMKIKD-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C(=O)OC)C2CC2)CC1 ZINC000359591293 155065175 /nfs/dbraw/zinc/06/51/75/155065175.db2.gz VOTAMKZVMFXQLK-INIZCTEOSA-N 2 1 296.455 2.382 20 0 CEADMP CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000363585048 156033091 /nfs/dbraw/zinc/03/30/91/156033091.db2.gz GFOAKUBDSSFILV-AAEUAGOBSA-N 2 1 280.803 2.077 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000366964397 156107383 /nfs/dbraw/zinc/10/73/83/156107383.db2.gz ZXMKYVQDLCXFOV-LSDHHAIUSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000366964397 156107387 /nfs/dbraw/zinc/10/73/87/156107387.db2.gz ZXMKYVQDLCXFOV-LSDHHAIUSA-N 2 1 263.385 2.083 20 0 CEADMP CN(C(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000367812156 156242059 /nfs/dbraw/zinc/24/20/59/156242059.db2.gz WTNGNPQZPAPOHT-SMDDNHRTSA-N 2 1 292.452 2.359 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000368574548 156370483 /nfs/dbraw/zinc/37/04/83/156370483.db2.gz KKAHZTUXQPPSPT-XWTMOSNGSA-N 2 1 288.435 2.052 20 0 CEADMP CO[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)CC1 ZINC000374681514 157000576 /nfs/dbraw/zinc/00/05/76/157000576.db2.gz VQNBDFBRHNXKBS-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP CO[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)CC1 ZINC000374681514 157000580 /nfs/dbraw/zinc/00/05/80/157000580.db2.gz VQNBDFBRHNXKBS-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP CC(C)SCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374910962 157028940 /nfs/dbraw/zinc/02/89/40/157028940.db2.gz KTZWUAMWVQWRGF-CVEARBPZSA-N 2 1 299.528 2.086 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000375783917 157146616 /nfs/dbraw/zinc/14/66/16/157146616.db2.gz GCXFEGOUYVSBSA-XWTMOSNGSA-N 2 1 288.435 2.491 20 0 CEADMP Cc1nccn1CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375863610 157153345 /nfs/dbraw/zinc/15/33/45/157153345.db2.gz XKYCSCWJBZXENI-BRWVUGGUSA-N 2 1 290.455 2.434 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375863610 157153349 /nfs/dbraw/zinc/15/33/49/157153349.db2.gz XKYCSCWJBZXENI-BRWVUGGUSA-N 3 1 290.455 2.434 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375863610 157153354 /nfs/dbraw/zinc/15/33/54/157153354.db2.gz XKYCSCWJBZXENI-BRWVUGGUSA-N 3 1 290.455 2.434 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@H]1CCOC1 ZINC000180740044 287018707 /nfs/dbraw/zinc/01/87/07/287018707.db2.gz GGGVRNKZAJRMII-CVEARBPZSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CCCC1 ZINC000128609353 287024921 /nfs/dbraw/zinc/02/49/21/287024921.db2.gz AGNNFVDMIFJAIN-OAHLLOKOSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@@H](O)CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000336793029 287077625 /nfs/dbraw/zinc/07/76/25/287077625.db2.gz VDRNQMBKUYDJLW-HUUCEWRRSA-N 2 1 254.418 2.098 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000177060335 165186106 /nfs/dbraw/zinc/18/61/06/165186106.db2.gz UYFLBFKGNGICGX-STQMWFEESA-N 2 1 270.417 2.133 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000177060335 165186109 /nfs/dbraw/zinc/18/61/09/165186109.db2.gz UYFLBFKGNGICGX-STQMWFEESA-N 2 1 270.417 2.133 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)OC(C)(C)C)CC[NH+]1C ZINC000177060335 165186113 /nfs/dbraw/zinc/18/61/13/165186113.db2.gz UYFLBFKGNGICGX-STQMWFEESA-N 2 1 270.417 2.133 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)OC(C)(C)C)CC[NH+]1C ZINC000177060335 165186117 /nfs/dbraw/zinc/18/61/17/165186117.db2.gz UYFLBFKGNGICGX-STQMWFEESA-N 2 1 270.417 2.133 20 0 CEADMP CC[C@@H](C)C[N@@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000177857742 165210751 /nfs/dbraw/zinc/21/07/51/165210751.db2.gz MJEYUYYQUCFZIF-OAHLLOKOSA-N 2 1 297.487 2.343 20 0 CEADMP COc1ccc(OC)c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000177955521 165218423 /nfs/dbraw/zinc/21/84/23/165218423.db2.gz GYKAKAOSDPKCBG-DZGCQCFKSA-N 2 1 292.423 2.319 20 0 CEADMP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cnn(C)c1 ZINC000178409192 165239059 /nfs/dbraw/zinc/23/90/59/165239059.db2.gz SLGFNKAQCUXQKB-OAHLLOKOSA-N 2 1 264.417 2.337 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000178512831 165245060 /nfs/dbraw/zinc/24/50/60/165245060.db2.gz RGQGIKUMLJJUJH-CHWSQXEVSA-N 2 1 280.416 2.198 20 0 CEADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181628724 165353360 /nfs/dbraw/zinc/35/33/60/165353360.db2.gz VMSFSHXIGPLEET-JTNHKYCSSA-N 2 1 265.401 2.467 20 0 CEADMP C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183103023 165382889 /nfs/dbraw/zinc/38/28/89/165382889.db2.gz LXLQKWYLLZFBEZ-ZIAGYGMSSA-N 2 1 276.428 2.163 20 0 CEADMP C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183103023 165382892 /nfs/dbraw/zinc/38/28/92/165382892.db2.gz LXLQKWYLLZFBEZ-ZIAGYGMSSA-N 2 1 276.428 2.163 20 0 CEADMP CCn1nccc1CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000284534503 196079626 /nfs/dbraw/zinc/07/96/26/196079626.db2.gz WZAUHPXZZKTDRW-ZDUSSCGKSA-N 2 1 273.384 2.048 20 0 CEADMP CC1CC[NH+](CCCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000020524020 171236997 /nfs/dbraw/zinc/23/69/97/171236997.db2.gz BQOUXBVIWPYXSK-ALOPSCKCSA-N 2 1 279.472 2.323 20 0 CEADMP c1cc2c(cc1C[NH2+]C[C@H]1CC[N@H+](C3CC3)C1)OCCO2 ZINC000037408213 173183571 /nfs/dbraw/zinc/18/35/71/173183571.db2.gz YOQZRAIURTTZNL-CQSZACIVSA-N 2 1 288.391 2.032 20 0 CEADMP CC[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515602 173246963 /nfs/dbraw/zinc/24/69/63/173246963.db2.gz BFGZFSKALSWLFC-MRXNPFEDSA-N 2 1 276.424 2.054 20 0 CEADMP CCC[N@H+](Cc1ccc(C(=O)OC)o1)C1CC[NH2+]CC1 ZINC000037538920 173258568 /nfs/dbraw/zinc/25/85/68/173258568.db2.gz VVHVVVBMVCUYDA-UHFFFAOYSA-N 2 1 280.368 2.030 20 0 CEADMP CCC[N@@H+](Cc1ccc(C(=O)OC)o1)C1CC[NH2+]CC1 ZINC000037538920 173258570 /nfs/dbraw/zinc/25/85/70/173258570.db2.gz VVHVVVBMVCUYDA-UHFFFAOYSA-N 2 1 280.368 2.030 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401693629 414754849 /nfs/dbraw/zinc/75/48/49/414754849.db2.gz IPCDOMFHMCNRKT-XHDPSFHLSA-N 2 1 250.361 2.264 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)CO1 ZINC000403743475 414768130 /nfs/dbraw/zinc/76/81/30/414768130.db2.gz KFWIQEDFMVXNQS-GUYCJALGSA-N 2 1 274.408 2.332 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000662844839 414771343 /nfs/dbraw/zinc/77/13/43/414771343.db2.gz BNGWVLBLXLQOLO-KBPBESRZSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H]1CCC[N@H+](CC(=O)NC2CCCCCC2)[C@@H]1CC[NH3+] ZINC000404340474 414781397 /nfs/dbraw/zinc/78/13/97/414781397.db2.gz DPPYUCKWAIFNDN-GOEBONIOSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@H]1CCC[N@@H+](CC(=O)NC2CCCCCC2)[C@@H]1CC[NH3+] ZINC000404340474 414781401 /nfs/dbraw/zinc/78/14/01/414781401.db2.gz DPPYUCKWAIFNDN-GOEBONIOSA-N 2 1 295.471 2.275 20 0 CEADMP [NH3+]C1(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC000662874360 414782620 /nfs/dbraw/zinc/78/26/20/414782620.db2.gz HNGNZTGOWOVTNO-CQSZACIVSA-N 2 1 293.455 2.171 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1O ZINC000404417651 414782900 /nfs/dbraw/zinc/78/29/00/414782900.db2.gz HDGCRWGUBJQGGR-OCCSQVGLSA-N 2 1 278.396 2.350 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000404403973 414782967 /nfs/dbraw/zinc/78/29/67/414782967.db2.gz TUQLCBLAYCKZCE-GDBMZVCRSA-N 2 1 289.423 2.383 20 0 CEADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000404403973 414782973 /nfs/dbraw/zinc/78/29/73/414782973.db2.gz TUQLCBLAYCKZCE-GDBMZVCRSA-N 2 1 289.423 2.383 20 0 CEADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000404400795 414784456 /nfs/dbraw/zinc/78/44/56/414784456.db2.gz QYOMVSFCIRQJRD-HOCLYGCPSA-N 2 1 289.423 2.383 20 0 CEADMP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000404400795 414784459 /nfs/dbraw/zinc/78/44/59/414784459.db2.gz QYOMVSFCIRQJRD-HOCLYGCPSA-N 2 1 289.423 2.383 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@@H]1[NH3+] ZINC000122727306 414792369 /nfs/dbraw/zinc/79/23/69/414792369.db2.gz YUXWNQVNDAZJLA-WBVHZDCISA-N 2 1 284.407 2.432 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOc2cccc(C)c2)CC[C@@H]1[NH3+] ZINC000122846674 414792557 /nfs/dbraw/zinc/79/25/57/414792557.db2.gz IWQNFZYEEPWBHO-ZBFHGGJFSA-N 2 1 262.397 2.433 20 0 CEADMP CCO[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000405833821 414797313 /nfs/dbraw/zinc/79/73/13/414797313.db2.gz BVNYDLAKOVGPCA-GBJTYRQASA-N 2 1 254.418 2.108 20 0 CEADMP CO[C@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C1CCCCC1 ZINC000660419061 414810522 /nfs/dbraw/zinc/81/05/22/414810522.db2.gz GSOGCPNAWZGITR-OAHLLOKOSA-N 2 1 292.427 2.127 20 0 CEADMP C[C@H]1CCCC[C@H]1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000660419051 414811692 /nfs/dbraw/zinc/81/16/92/414811692.db2.gz GLKWYMDQVBRPFN-KBPBESRZSA-N 2 1 262.401 2.358 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CO1 ZINC000657334095 414866009 /nfs/dbraw/zinc/86/60/09/414866009.db2.gz MAXPFRFRWFVWBP-DZGCQCFKSA-N 2 1 252.402 2.160 20 0 CEADMP COC[C@H](C)Oc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000657294254 414839986 /nfs/dbraw/zinc/83/99/86/414839986.db2.gz JXCOGWYFWAFPPW-AWEZNQCLSA-N 2 1 292.423 2.284 20 0 CEADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657312182 414852629 /nfs/dbraw/zinc/85/26/29/414852629.db2.gz DTQYFRIIKBXMEG-GJZGRUSLSA-N 2 1 290.455 2.287 20 0 CEADMP CC(C)[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)[C@H](O)C(F)(F)F ZINC000660527119 414858788 /nfs/dbraw/zinc/85/87/88/414858788.db2.gz BZHYKDFPZWCNKC-AVGNSLFASA-N 2 1 296.377 2.398 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NCc1cnc2n1CCC2 ZINC000657325892 414861745 /nfs/dbraw/zinc/86/17/45/414861745.db2.gz AEHRAMNJYFCJJD-KBPBESRZSA-N 2 1 276.428 2.039 20 0 CEADMP C[C@@H](CN1CCC[C@H](C)C1)[NH2+]Cc1cnc2n1CCC2 ZINC000657325892 414861751 /nfs/dbraw/zinc/86/17/51/414861751.db2.gz AEHRAMNJYFCJJD-KBPBESRZSA-N 2 1 276.428 2.039 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653113593 414910920 /nfs/dbraw/zinc/91/09/20/414910920.db2.gz HZJYROXHIRDIPX-CVEARBPZSA-N 2 1 295.471 2.147 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C1CCC1 ZINC000660638756 414911653 /nfs/dbraw/zinc/91/16/53/414911653.db2.gz CLZMXJLEUKZYHM-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)C1CCC1 ZINC000660638756 414911656 /nfs/dbraw/zinc/91/16/56/414911656.db2.gz CLZMXJLEUKZYHM-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)C1CCC1 ZINC000660638756 414911659 /nfs/dbraw/zinc/91/16/59/414911659.db2.gz CLZMXJLEUKZYHM-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[N@H+](C3CC3)C[C@@H](C)C2)C1 ZINC000660644670 414912932 /nfs/dbraw/zinc/91/29/32/414912932.db2.gz JFPSTTUNVAFXDO-ZACQAIPSSA-N 2 1 293.499 2.380 20 0 CEADMP C[C@H](O)CCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678711 414933371 /nfs/dbraw/zinc/93/33/71/414933371.db2.gz ZJMJCSDHICNIFK-HNNXBMFYSA-N 2 1 276.424 2.402 20 0 CEADMP CCN1CC[NH+]([C@@H](C)CNc2[nH+]ccc3[nH]ccc32)CC1 ZINC000663389466 414939261 /nfs/dbraw/zinc/93/92/61/414939261.db2.gz PXXUVXMVLCHXQI-ZDUSSCGKSA-N 2 1 287.411 2.001 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657336290 414868775 /nfs/dbraw/zinc/86/87/75/414868775.db2.gz ZSRHUYNCZKRDPL-OAHLLOKOSA-N 2 1 299.422 2.087 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337993711 414874585 /nfs/dbraw/zinc/87/45/85/414874585.db2.gz SPNUMNIBPLJASP-GJZGRUSLSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657348092 414876117 /nfs/dbraw/zinc/87/61/17/414876117.db2.gz KBOZPSNYPOYQDC-AWEZNQCLSA-N 2 1 276.428 2.039 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657348092 414876124 /nfs/dbraw/zinc/87/61/24/414876124.db2.gz KBOZPSNYPOYQDC-AWEZNQCLSA-N 2 1 276.428 2.039 20 0 CEADMP Cc1cc(CO)cc(NC[C@@H](C)C[NH+]2CCCCC2)[nH+]1 ZINC000663402790 414942388 /nfs/dbraw/zinc/94/23/88/414942388.db2.gz FWWDZYRVCSGGBX-CYBMUJFWSA-N 2 1 277.412 2.416 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663497290 414970914 /nfs/dbraw/zinc/97/09/14/414970914.db2.gz CTMLBAXQINPNDL-LMMWMHBBSA-N 2 1 285.435 2.164 20 0 CEADMP CCn1nccc1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000663513525 414979993 /nfs/dbraw/zinc/97/99/93/414979993.db2.gz KYPRHZZRUGRYOZ-KGLIPLIRSA-N 2 1 264.417 2.303 20 0 CEADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CC(C)(C)C1 ZINC000660805474 414981034 /nfs/dbraw/zinc/98/10/34/414981034.db2.gz CLQWYUJMHZHNNT-AWEZNQCLSA-N 2 1 256.434 2.198 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000657562284 415001751 /nfs/dbraw/zinc/00/17/51/415001751.db2.gz MEGGOIBPNQLINO-MCIONIFRSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000657562284 415001756 /nfs/dbraw/zinc/00/17/56/415001756.db2.gz MEGGOIBPNQLINO-MCIONIFRSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C[NH+]1C1CC1 ZINC000657562284 415001760 /nfs/dbraw/zinc/00/17/60/415001760.db2.gz MEGGOIBPNQLINO-MCIONIFRSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C(C)(C)C)C2)C[NH+]1C1CC1 ZINC000657562284 415001765 /nfs/dbraw/zinc/00/17/65/415001765.db2.gz MEGGOIBPNQLINO-MCIONIFRSA-N 2 1 265.445 2.074 20 0 CEADMP Cc1ccncc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657589429 415013002 /nfs/dbraw/zinc/01/30/02/415013002.db2.gz ZFHIULYYGOUVNF-JKSUJKDBSA-N 2 1 259.397 2.149 20 0 CEADMP OC/C=C\C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657593113 415015073 /nfs/dbraw/zinc/01/50/73/415015073.db2.gz DEEVKRWCZWXSHB-VGOKWCNXSA-N 2 1 286.419 2.322 20 0 CEADMP OC/C=C\C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657593113 415015076 /nfs/dbraw/zinc/01/50/76/415015076.db2.gz DEEVKRWCZWXSHB-VGOKWCNXSA-N 2 1 286.419 2.322 20 0 CEADMP OC/C=C\C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657593111 415015930 /nfs/dbraw/zinc/01/59/30/415015930.db2.gz DEEVKRWCZWXSHB-CHYADLBTSA-N 2 1 286.419 2.322 20 0 CEADMP OC/C=C\C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657593111 415015934 /nfs/dbraw/zinc/01/59/34/415015934.db2.gz DEEVKRWCZWXSHB-CHYADLBTSA-N 2 1 286.419 2.322 20 0 CEADMP Fc1cccc(F)c1CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000653502196 415018210 /nfs/dbraw/zinc/01/82/10/415018210.db2.gz ZROZNPKXENLGFD-RYUDHWBXSA-N 2 1 266.335 2.049 20 0 CEADMP Cc1cc(CO)cc(N2CCC(C[N@@H+](C)C(C)C)CC2)[nH+]1 ZINC000663404204 414944581 /nfs/dbraw/zinc/94/45/81/414944581.db2.gz CNNFJFQMEVXIDT-UHFFFAOYSA-N 2 1 291.439 2.439 20 0 CEADMP Cc1cc(CO)cc(N2CCC(C[N@H+](C)C(C)C)CC2)[nH+]1 ZINC000663404204 414944582 /nfs/dbraw/zinc/94/45/82/414944582.db2.gz CNNFJFQMEVXIDT-UHFFFAOYSA-N 2 1 291.439 2.439 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@H]([NH3+])C(C)C)C1CCCCC1 ZINC000653200431 414945615 /nfs/dbraw/zinc/94/56/15/414945615.db2.gz DTFVWFFHLSOLQI-OAHLLOKOSA-N 2 1 283.460 2.131 20 0 CEADMP CC[C@@H](C)[NH+]1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660736163 414951330 /nfs/dbraw/zinc/95/13/30/414951330.db2.gz GSAKVTPLQRAAAM-IXDOHACOSA-N 2 1 281.488 2.380 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467494 414962022 /nfs/dbraw/zinc/96/20/22/414962022.db2.gz GDTQYJLSEWGXLR-IUODEOHRSA-N 2 1 276.428 2.491 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467494 414962024 /nfs/dbraw/zinc/96/20/24/414962024.db2.gz GDTQYJLSEWGXLR-IUODEOHRSA-N 2 1 276.428 2.491 20 0 CEADMP CCCn1nccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000657488628 414969428 /nfs/dbraw/zinc/96/94/28/414969428.db2.gz UEYMZWHWWKJRMP-UHFFFAOYSA-N 2 1 264.417 2.257 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000657769138 415076022 /nfs/dbraw/zinc/07/60/22/415076022.db2.gz WIEZFRZBAWJYMK-HRCADAONSA-N 2 1 266.429 2.408 20 0 CEADMP OCC1CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000657808934 415087749 /nfs/dbraw/zinc/08/77/49/415087749.db2.gz QWJUHOCLXRCCQS-UHFFFAOYSA-N 2 1 274.408 2.012 20 0 CEADMP C[C@H](O)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000657815819 415092076 /nfs/dbraw/zinc/09/20/76/415092076.db2.gz HIINAQGXYVTPCY-HJWJTTGWSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H](O)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000657815819 415092081 /nfs/dbraw/zinc/09/20/81/415092081.db2.gz HIINAQGXYVTPCY-HJWJTTGWSA-N 2 1 274.408 2.325 20 0 CEADMP Cc1c[nH]nc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613699 415026291 /nfs/dbraw/zinc/02/62/91/415026291.db2.gz PGRJSLYWCLURAY-UHFFFAOYSA-N 2 1 299.422 2.115 20 0 CEADMP CC[C@@H](CC(F)F)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000660906694 415029036 /nfs/dbraw/zinc/02/90/36/415029036.db2.gz VLIXXTPLMMVHTF-ZDUSSCGKSA-N 2 1 290.398 2.464 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000653556829 415031515 /nfs/dbraw/zinc/03/15/15/415031515.db2.gz LROIPKYIPNSXGO-JKSUJKDBSA-N 2 1 266.429 2.121 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]2(CC=CCC2)C1 ZINC000653556829 415031519 /nfs/dbraw/zinc/03/15/19/415031519.db2.gz LROIPKYIPNSXGO-JKSUJKDBSA-N 2 1 266.429 2.121 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]2(CC=CCC2)C1 ZINC000653556829 415031524 /nfs/dbraw/zinc/03/15/24/415031524.db2.gz LROIPKYIPNSXGO-JKSUJKDBSA-N 2 1 266.429 2.121 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653569296 415040572 /nfs/dbraw/zinc/04/05/72/415040572.db2.gz KPCHPUMAVXKYQU-MRXNPFEDSA-N 2 1 287.411 2.232 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000653569296 415040575 /nfs/dbraw/zinc/04/05/75/415040575.db2.gz KPCHPUMAVXKYQU-MRXNPFEDSA-N 2 1 287.411 2.232 20 0 CEADMP C[C@@H]1CCC[C@@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)O1 ZINC000657669384 415042006 /nfs/dbraw/zinc/04/20/06/415042006.db2.gz YHQKROUKARSVST-OCCSQVGLSA-N 2 1 263.385 2.195 20 0 CEADMP COC1([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000657836933 415101004 /nfs/dbraw/zinc/10/10/04/415101004.db2.gz YHPVWZDESKVEFT-QWHCGFSZSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]1CC2(C[N@@H+]1CCCc1c[nH+]cn1C)CCOCC2 ZINC000653777915 415102101 /nfs/dbraw/zinc/10/21/01/415102101.db2.gz ZSORFULMPLODRV-AWEZNQCLSA-N 2 1 277.412 2.244 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CCCc1c[nH+]cn1C)CCOCC2 ZINC000653777915 415102106 /nfs/dbraw/zinc/10/21/06/415102106.db2.gz ZSORFULMPLODRV-AWEZNQCLSA-N 2 1 277.412 2.244 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000655273657 415167402 /nfs/dbraw/zinc/16/74/02/415167402.db2.gz JSFKAQXDOHJQKL-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cn1 ZINC000044495143 175182591 /nfs/dbraw/zinc/18/25/91/175182591.db2.gz VYGANJDCIRBWFN-CYBMUJFWSA-N 2 1 250.390 2.040 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)[C@@H](C)C1 ZINC000658094619 415205578 /nfs/dbraw/zinc/20/55/78/415205578.db2.gz ZFWCKPBHTJYRAC-ZNMIVQPWSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C(C)(C)C)C2)[C@@H](C)C1 ZINC000658094619 415205585 /nfs/dbraw/zinc/20/55/85/415205585.db2.gz ZFWCKPBHTJYRAC-ZNMIVQPWSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C(C)(C)C)C2)[C@@H](C)C1 ZINC000658094619 415205594 /nfs/dbraw/zinc/20/55/94/415205594.db2.gz ZFWCKPBHTJYRAC-ZNMIVQPWSA-N 2 1 267.461 2.179 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000658160269 415240324 /nfs/dbraw/zinc/24/03/24/415240324.db2.gz FAWSFFIYUIECLW-BTFPBAQTSA-N 2 1 252.402 2.016 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000658233004 415268456 /nfs/dbraw/zinc/26/84/56/415268456.db2.gz FYBJRYCRIFLIKZ-NVXWUHKLSA-N 2 1 290.455 2.205 20 0 CEADMP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000658318765 415315702 /nfs/dbraw/zinc/31/57/02/415315702.db2.gz WLCSCTHXBHHCTH-IAGOWNOFSA-N 2 1 296.455 2.035 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCn2ccnc21 ZINC000655709132 415400608 /nfs/dbraw/zinc/40/06/08/415400608.db2.gz SEWCYVGFUBGYPR-JSGCOSHPSA-N 2 1 273.384 2.149 20 0 CEADMP CC[C@H](C[C@@H](C)CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655717288 415407159 /nfs/dbraw/zinc/40/71/59/415407159.db2.gz AFWIWVCNJIDVHS-INMHGKMJSA-N 2 1 298.471 2.017 20 0 CEADMP C[C@]1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCS1 ZINC000655722509 415412181 /nfs/dbraw/zinc/41/21/81/415412181.db2.gz CINGBNLXIKYLKB-HUUCEWRRSA-N 2 1 284.469 2.115 20 0 CEADMP C(CC1CC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655730822 415418250 /nfs/dbraw/zinc/41/82/50/415418250.db2.gz NSPKNCVIRDIOQM-OAHLLOKOSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@H]1CCCn2ccnc21 ZINC000655686748 415386052 /nfs/dbraw/zinc/38/60/52/415386052.db2.gz PVUGFSFUZPEMDY-ZDUSSCGKSA-N 2 1 250.390 2.038 20 0 CEADMP C(C[C@@H]1CCCCO1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655752576 415434738 /nfs/dbraw/zinc/43/47/38/415434738.db2.gz ZWKCYNDQSBTLRU-IRXDYDNUSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1nccs1 ZINC000655754466 415437249 /nfs/dbraw/zinc/43/72/49/415437249.db2.gz WRIHXTPRLSKWNM-OCCSQVGLSA-N 2 1 295.452 2.090 20 0 CEADMP FC1(F)CC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655764722 415444737 /nfs/dbraw/zinc/44/47/37/415444737.db2.gz PYYFSFQKCLSQJN-JSGCOSHPSA-N 2 1 288.382 2.265 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)OC ZINC000655773275 415452336 /nfs/dbraw/zinc/45/23/36/415452336.db2.gz UHXNLFSGMVAOAG-BHYGNILZSA-N 2 1 298.471 2.281 20 0 CEADMP CCC[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)OC ZINC000655771851 415452369 /nfs/dbraw/zinc/45/23/69/415452369.db2.gz PMNRHJVHXMVQIG-CVEARBPZSA-N 2 1 284.444 2.035 20 0 CEADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)OCC1CC1 ZINC000655775546 415456647 /nfs/dbraw/zinc/45/66/47/415456647.db2.gz AOSFLPUHPVAUJQ-INIZCTEOSA-N 2 1 296.455 2.035 20 0 CEADMP FC1(F)CC(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655775499 415456996 /nfs/dbraw/zinc/45/69/96/415456996.db2.gz ZJEILKHGBYNSPD-CQSZACIVSA-N 2 1 288.382 2.265 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2CCCCO2)CC[N@@H+]1C ZINC000655788278 415470773 /nfs/dbraw/zinc/47/07/73/415470773.db2.gz GDOCLPIKRFZZGD-MIGQKNRLSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2CCCCO2)CC[N@H+]1C ZINC000655788278 415470779 /nfs/dbraw/zinc/47/07/79/415470779.db2.gz GDOCLPIKRFZZGD-MIGQKNRLSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H](N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cnn(C)c1 ZINC000655848614 415516291 /nfs/dbraw/zinc/51/62/91/415516291.db2.gz IVUMCCMTCYTXJG-NWANDNLSSA-N 2 1 262.401 2.088 20 0 CEADMP C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cnn(C)c1 ZINC000655848614 415516300 /nfs/dbraw/zinc/51/63/00/415516300.db2.gz IVUMCCMTCYTXJG-NWANDNLSSA-N 2 1 262.401 2.088 20 0 CEADMP c1cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)ccc1C[NH+]1CCOCC1 ZINC000661965863 415545683 /nfs/dbraw/zinc/54/56/83/415545683.db2.gz BIDOPAGZMBLEHX-QZTJIDSGSA-N 2 1 286.419 2.361 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)ccc1C[NH+]1CCOCC1 ZINC000661965863 415545690 /nfs/dbraw/zinc/54/56/90/415545690.db2.gz BIDOPAGZMBLEHX-QZTJIDSGSA-N 2 1 286.419 2.361 20 0 CEADMP c1ccc2c(CC[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)noc2c1 ZINC000655940899 415558228 /nfs/dbraw/zinc/55/82/28/415558228.db2.gz GRPXJXUVFZDABB-QGZVFWFLSA-N 2 1 285.391 2.446 20 0 CEADMP c1ccc2c(CC[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)noc2c1 ZINC000655940899 415558233 /nfs/dbraw/zinc/55/82/33/415558233.db2.gz GRPXJXUVFZDABB-QGZVFWFLSA-N 2 1 285.391 2.446 20 0 CEADMP CCC(C)(C)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000655948100 415559111 /nfs/dbraw/zinc/55/91/11/415559111.db2.gz YBQLQPKMIPHNRO-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251708 415650655 /nfs/dbraw/zinc/65/06/55/415650655.db2.gz XAYJFXNRDQPSNB-JEDBISTDSA-N 2 1 299.462 2.204 20 0 CEADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H](N)c3ccccc32)C1 ZINC000656200844 415636964 /nfs/dbraw/zinc/63/69/64/415636964.db2.gz RQRFRHMTRFQXAP-VZAMPYOESA-N 2 1 259.397 2.061 20 0 CEADMP C[C@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)C1C[NH2+]C1 ZINC000665237637 415639449 /nfs/dbraw/zinc/63/94/49/415639449.db2.gz GEBCWJXSKZYZQC-JOYOIKCWSA-N 2 1 280.334 2.074 20 0 CEADMP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000665242816 415645028 /nfs/dbraw/zinc/64/50/28/415645028.db2.gz LQYTXCYDQYZDHT-HRCADAONSA-N 2 1 274.408 2.322 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000665257762 415652972 /nfs/dbraw/zinc/65/29/72/415652972.db2.gz TYHIHLPUMJQJGJ-LBRJOISOSA-N 2 1 292.398 2.286 20 0 CEADMP CCc1cccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662151230 415659242 /nfs/dbraw/zinc/65/92/42/415659242.db2.gz GPOKHDKJHYSLKM-SFHVURJKSA-N 2 1 288.435 2.280 20 0 CEADMP CCc1cccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662151230 415659247 /nfs/dbraw/zinc/65/92/47/415659247.db2.gz GPOKHDKJHYSLKM-SFHVURJKSA-N 2 1 288.435 2.280 20 0 CEADMP CCc1cccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662151230 415659253 /nfs/dbraw/zinc/65/92/53/415659253.db2.gz GPOKHDKJHYSLKM-SFHVURJKSA-N 2 1 288.435 2.280 20 0 CEADMP C1C[C@H]2CC(N[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]1[NH2+]2 ZINC000665267290 415661136 /nfs/dbraw/zinc/66/11/36/415661136.db2.gz UBYYOINCWVIRQL-QGPPMGRFSA-N 2 1 277.456 2.266 20 0 CEADMP Cc1cncc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000665273877 415663780 /nfs/dbraw/zinc/66/37/80/415663780.db2.gz GAVCGWOMZXVGFN-SJLPKXTDSA-N 2 1 296.418 2.410 20 0 CEADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283962 415672575 /nfs/dbraw/zinc/67/25/75/415672575.db2.gz XWUIIZQGUYXFKQ-AEGPPILISA-N 2 1 254.418 2.312 20 0 CEADMP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000665291085 415678268 /nfs/dbraw/zinc/67/82/68/415678268.db2.gz ULDLWOWJMDIUGN-GFCCVEGCSA-N 2 1 286.379 2.109 20 0 CEADMP Cc1cccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1C ZINC000665292312 415681430 /nfs/dbraw/zinc/68/14/30/415681430.db2.gz YNYPSOUIGAKLGG-LBPRGKRZSA-N 2 1 286.379 2.109 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000665297443 415685258 /nfs/dbraw/zinc/68/52/58/415685258.db2.gz GAHCJTKBNFKWBD-AVGNSLFASA-N 2 1 280.412 2.393 20 0 CEADMP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)c1cccc(O)c1 ZINC000662253966 415718446 /nfs/dbraw/zinc/71/84/46/415718446.db2.gz ZUZFTFHEQDRVAF-XJKSGUPXSA-N 2 1 290.407 2.296 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255565 415720051 /nfs/dbraw/zinc/72/00/51/415720051.db2.gz DCIPUKONFQJXQF-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1c2c(F)cccc2CC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254114 415721280 /nfs/dbraw/zinc/72/12/80/415721280.db2.gz FLJVOMKGHRSSMY-OCCSQVGLSA-N 2 1 290.382 2.266 20 0 CEADMP CC(C)(C)[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258395 415723174 /nfs/dbraw/zinc/72/31/74/415723174.db2.gz ULEAICJNIFYBKF-OLZOCXBDSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1ccc(C[C@H](C)[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256577 415724474 /nfs/dbraw/zinc/72/44/74/415724474.db2.gz WADYVCCNVZSTML-DOTOQJQBSA-N 2 1 288.435 2.379 20 0 CEADMP CC(C)[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256320 415724943 /nfs/dbraw/zinc/72/49/43/415724943.db2.gz UZVITHAOVUGDDH-KGLIPLIRSA-N 2 1 252.402 2.018 20 0 CEADMP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662261772 415730029 /nfs/dbraw/zinc/73/00/29/415730029.db2.gz AOEQFLHYFGLPFE-MRXNPFEDSA-N 3 1 299.462 2.250 20 0 CEADMP c1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662261772 415730036 /nfs/dbraw/zinc/73/00/36/415730036.db2.gz AOEQFLHYFGLPFE-MRXNPFEDSA-N 2 1 299.462 2.250 20 0 CEADMP CO[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000662266409 415732107 /nfs/dbraw/zinc/73/21/07/415732107.db2.gz YDOYSQTWCHAJFE-IXXDHKBRSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC[C@H]2CCc3ccccc32)CCO1 ZINC000662247271 415707534 /nfs/dbraw/zinc/70/75/34/415707534.db2.gz DTDCGJBSISLFRS-LXZKKBNFSA-N 2 1 274.408 2.155 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)CCO1 ZINC000662247271 415707538 /nfs/dbraw/zinc/70/75/38/415707538.db2.gz DTDCGJBSISLFRS-LXZKKBNFSA-N 2 1 274.408 2.155 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H](OC)C2CCCC2)CC[C@@H]1[NH3+] ZINC000662271772 415734051 /nfs/dbraw/zinc/73/40/51/415734051.db2.gz IWLXHSYOMHPUPV-VHDGCEQUSA-N 2 1 254.418 2.251 20 0 CEADMP c1csc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662248752 415709483 /nfs/dbraw/zinc/70/94/83/415709483.db2.gz JCQUPNFZCSKONI-STQMWFEESA-N 2 1 278.421 2.406 20 0 CEADMP c1csc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662248748 415712249 /nfs/dbraw/zinc/71/22/49/415712249.db2.gz JCQUPNFZCSKONI-OLZOCXBDSA-N 2 1 278.421 2.406 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@@H](CC[NH3+])C1)C1CCCC1 ZINC000662273703 415739800 /nfs/dbraw/zinc/73/98/00/415739800.db2.gz YRZIRCBQLXKJAV-ZFWWWQNUSA-N 2 1 254.418 2.252 20 0 CEADMP COc1cc(CC[NH2+]C2CC[NH+](C3CC3)CC2)ccc1O ZINC000656501166 415742158 /nfs/dbraw/zinc/74/21/58/415742158.db2.gz PFUJJHNOXHKQKD-UHFFFAOYSA-N 2 1 290.407 2.160 20 0 CEADMP CC[C@H](CC(F)F)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000662274840 415742374 /nfs/dbraw/zinc/74/23/74/415742374.db2.gz XPFRNNGZDFHEQM-CHWSQXEVSA-N 2 1 290.398 2.355 20 0 CEADMP COc1cccc(SCC[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000662274851 415742486 /nfs/dbraw/zinc/74/24/86/415742486.db2.gz XUYGUQVVIUIZGC-UHFFFAOYSA-N 2 1 266.410 2.209 20 0 CEADMP C[N@H+](CCSc1ccc(F)cc1F)C1CC([NH3+])C1 ZINC000662274416 415743335 /nfs/dbraw/zinc/74/33/35/415743335.db2.gz TZPLLYWFQWFYMC-UHFFFAOYSA-N 2 1 272.364 2.478 20 0 CEADMP C[N@@H+](CCSc1ccc(F)cc1F)C1CC([NH3+])C1 ZINC000662274416 415743339 /nfs/dbraw/zinc/74/33/39/415743339.db2.gz TZPLLYWFQWFYMC-UHFFFAOYSA-N 2 1 272.364 2.478 20 0 CEADMP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCC1 ZINC000662275158 415743403 /nfs/dbraw/zinc/74/34/03/415743403.db2.gz TUUNZWLMBJKTJL-BZUAXINKSA-N 2 1 266.429 2.408 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCC1 ZINC000662275158 415743408 /nfs/dbraw/zinc/74/34/08/415743408.db2.gz TUUNZWLMBJKTJL-BZUAXINKSA-N 2 1 266.429 2.408 20 0 CEADMP CCc1nocc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662276771 415743500 /nfs/dbraw/zinc/74/35/00/415743500.db2.gz PSCXXFFYLRHNBC-DOMZBBRYSA-N 2 1 263.385 2.201 20 0 CEADMP CCc1nocc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662276771 415743506 /nfs/dbraw/zinc/74/35/06/415743506.db2.gz PSCXXFFYLRHNBC-DOMZBBRYSA-N 2 1 263.385 2.201 20 0 CEADMP C[N@@H+](Cc1cc(Cl)ccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662280283 415744901 /nfs/dbraw/zinc/74/49/01/415744901.db2.gz NQXKZCSPHDDFDW-CYBMUJFWSA-N 2 1 298.789 2.432 20 0 CEADMP C[N@H+](Cc1cc(Cl)ccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662280283 415744909 /nfs/dbraw/zinc/74/49/09/415744909.db2.gz NQXKZCSPHDDFDW-CYBMUJFWSA-N 2 1 298.789 2.432 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H](OC)C2CCCC2)CC[C@@H]1[NH3+] ZINC000662271770 415734740 /nfs/dbraw/zinc/73/47/40/415734740.db2.gz IWLXHSYOMHPUPV-SNPRPXQTSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1CCC1 ZINC000662274137 415737884 /nfs/dbraw/zinc/73/78/84/415737884.db2.gz FDCOQBGGOKBYLR-OWCLPIDISA-N 2 1 266.429 2.123 20 0 CEADMP CO[C@H](C[N@H+](C)[C@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000662274032 415738888 /nfs/dbraw/zinc/73/88/88/415738888.db2.gz SGPHWMQVVLBMKQ-HUUCEWRRSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@H](C[N@@H+](C)[C@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000662274032 415738897 /nfs/dbraw/zinc/73/88/97/415738897.db2.gz SGPHWMQVVLBMKQ-HUUCEWRRSA-N 2 1 254.418 2.251 20 0 CEADMP C[N@H+](CCC(=O)Nc1ccccc1Cl)CC(C)(C)[NH3+] ZINC000662298525 415761735 /nfs/dbraw/zinc/76/17/35/415761735.db2.gz ZXHBKARAQNKAHL-UHFFFAOYSA-N 2 1 283.803 2.338 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccccc1Cl)CC(C)(C)[NH3+] ZINC000662298525 415761739 /nfs/dbraw/zinc/76/17/39/415761739.db2.gz ZXHBKARAQNKAHL-UHFFFAOYSA-N 2 1 283.803 2.338 20 0 CEADMP CC(C)OCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297532 415761813 /nfs/dbraw/zinc/76/18/13/415761813.db2.gz RECDVBPWSGYDAA-HNNXBMFYSA-N 2 1 254.418 2.123 20 0 CEADMP CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298323 415763277 /nfs/dbraw/zinc/76/32/77/415763277.db2.gz VLRSINUTEKHXPD-HOCLYGCPSA-N 2 1 295.471 2.003 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000662299188 415763337 /nfs/dbraw/zinc/76/33/37/415763337.db2.gz LQYJKMIVBMBKLM-QGZVFWFLSA-N 2 1 276.424 2.139 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000662299188 415763340 /nfs/dbraw/zinc/76/33/40/415763340.db2.gz LQYJKMIVBMBKLM-QGZVFWFLSA-N 2 1 276.424 2.139 20 0 CEADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccnn1C ZINC000656567820 415771463 /nfs/dbraw/zinc/77/14/63/415771463.db2.gz LMJJHUDNAGAFSK-MRXNPFEDSA-N 2 1 290.455 2.376 20 0 CEADMP C[NH2+]CCC[N@H+]1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000662310665 415772480 /nfs/dbraw/zinc/77/24/80/415772480.db2.gz MBRUTVKQWCIXMK-MRXNPFEDSA-N 2 1 262.397 2.268 20 0 CEADMP COc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)on1 ZINC000659876055 415752681 /nfs/dbraw/zinc/75/26/81/415752681.db2.gz AHWIFENOQXNXSH-UHFFFAOYSA-N 2 1 281.400 2.235 20 0 CEADMP CC[NH+](CC)CC(=O)N1CC[NH+](CCCC2CCC2)CC1 ZINC000659879043 415755762 /nfs/dbraw/zinc/75/57/62/415755762.db2.gz QEUTTWKJFVDOOF-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292876 415756076 /nfs/dbraw/zinc/75/60/76/415756076.db2.gz PGRAMZHYCFNCSH-KRWDZBQOSA-N 3 1 290.455 2.293 20 0 CEADMP C[N@@H+](CCCn1ccnc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662286935 415757215 /nfs/dbraw/zinc/75/72/15/415757215.db2.gz ULRTWLHMLVHBPC-UHFFFAOYSA-N 2 1 284.407 2.051 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOCc2ccccc2)C1 ZINC000659989567 415833312 /nfs/dbraw/zinc/83/33/12/415833312.db2.gz OAPFQEWNYBFZCJ-KRWDZBQOSA-N 2 1 276.424 2.477 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOCc2ccccc2)C1 ZINC000659989567 415833317 /nfs/dbraw/zinc/83/33/17/415833317.db2.gz OAPFQEWNYBFZCJ-KRWDZBQOSA-N 2 1 276.424 2.477 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000659989567 415833320 /nfs/dbraw/zinc/83/33/20/415833320.db2.gz OAPFQEWNYBFZCJ-KRWDZBQOSA-N 2 1 276.424 2.477 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC000659989567 415833325 /nfs/dbraw/zinc/83/33/25/415833325.db2.gz OAPFQEWNYBFZCJ-KRWDZBQOSA-N 2 1 276.424 2.477 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC2=CCCC2)CCO1 ZINC000662325075 415781012 /nfs/dbraw/zinc/78/10/12/415781012.db2.gz BMKARAAIZFYYHR-HNNXBMFYSA-N 2 1 252.402 2.139 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCc2ccncc2)CCO1 ZINC000662324718 415781040 /nfs/dbraw/zinc/78/10/40/415781040.db2.gz BNXGVJOKUPPFML-KRWDZBQOSA-N 2 1 291.439 2.057 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCc1ccc(F)cc1 ZINC000656701613 415821540 /nfs/dbraw/zinc/82/15/40/415821540.db2.gz YYSKBEXGTCANDM-MRXNPFEDSA-N 2 1 282.403 2.001 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCc1ccc(F)cc1 ZINC000656701613 415821545 /nfs/dbraw/zinc/82/15/45/415821545.db2.gz YYSKBEXGTCANDM-MRXNPFEDSA-N 2 1 282.403 2.001 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCc1ccc(F)cc1 ZINC000656701613 415821557 /nfs/dbraw/zinc/82/15/57/415821557.db2.gz YYSKBEXGTCANDM-MRXNPFEDSA-N 2 1 282.403 2.001 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCc1ccc(F)cc1 ZINC000656701613 415821564 /nfs/dbraw/zinc/82/15/64/415821564.db2.gz YYSKBEXGTCANDM-MRXNPFEDSA-N 2 1 282.403 2.001 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2CC=CC2)C1 ZINC000659978125 415822145 /nfs/dbraw/zinc/82/21/45/415822145.db2.gz AEJAOWWPHQJQSE-INIZCTEOSA-N 2 1 266.429 2.385 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@]1(C)CC1(F)F ZINC000656710307 415828909 /nfs/dbraw/zinc/82/89/09/415828909.db2.gz IEGQHTQUOUCXTC-GJZGRUSLSA-N 2 1 298.377 2.114 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@]1(C)CC1(F)F ZINC000656710307 415828914 /nfs/dbraw/zinc/82/89/14/415828914.db2.gz IEGQHTQUOUCXTC-GJZGRUSLSA-N 2 1 298.377 2.114 20 0 CEADMP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000662623024 415908664 /nfs/dbraw/zinc/90/86/64/415908664.db2.gz WLZZFABGOAMKDO-RBSFLKMASA-N 2 1 295.471 2.001 20 0 CEADMP C([C@H]1CCSC1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783298 415859135 /nfs/dbraw/zinc/85/91/35/415859135.db2.gz OOYDMOFEADUSLV-UKRRQHHQSA-N 2 1 268.470 2.451 20 0 CEADMP Clc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000656787873 415861595 /nfs/dbraw/zinc/86/15/95/415861595.db2.gz XZAZRTGZHAWFOO-CHWSQXEVSA-N 2 1 279.815 2.118 20 0 CEADMP [NH3+][C@H](CNCc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000656787090 415861740 /nfs/dbraw/zinc/86/17/40/415861740.db2.gz SXLVOPNXUZMBPB-GOSISDBHSA-N 2 1 281.403 2.122 20 0 CEADMP Cc1cccc2ncc(C[NH2+]CC3([NH3+])CCCC3)n21 ZINC000656788609 415861856 /nfs/dbraw/zinc/86/18/56/415861856.db2.gz VFBHMSMAAIZQNI-UHFFFAOYSA-N 2 1 258.369 2.004 20 0 CEADMP Cc1ccc([C@@H]2CCN(C[C@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC000660247936 415940215 /nfs/dbraw/zinc/94/02/15/415940215.db2.gz CYVHUXDAPCRCDE-QZTJIDSGSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1ccc([C@@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2)cc1 ZINC000660247936 415940221 /nfs/dbraw/zinc/94/02/21/415940221.db2.gz CYVHUXDAPCRCDE-QZTJIDSGSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1ccc([C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC000660247936 415940222 /nfs/dbraw/zinc/94/02/22/415940222.db2.gz CYVHUXDAPCRCDE-QZTJIDSGSA-N 2 1 290.451 2.485 20 0 CEADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660247936 415940225 /nfs/dbraw/zinc/94/02/25/415940225.db2.gz CYVHUXDAPCRCDE-QZTJIDSGSA-N 2 1 290.451 2.485 20 0 CEADMP c1cn([C@@H]2CCC[N@H+](CCc3cncs3)C2)cn1 ZINC000662751138 415952032 /nfs/dbraw/zinc/95/20/32/415952032.db2.gz FDBMKEKVEYXVIQ-GFCCVEGCSA-N 2 1 262.382 2.219 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662699505 415933566 /nfs/dbraw/zinc/93/35/66/415933566.db2.gz BNFCXECPEWBBPT-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC2(C)CCC(OC)CC2)CC1 ZINC000355148167 227449896 /nfs/dbraw/zinc/44/98/96/227449896.db2.gz ICIKHFREBTYRCM-UHFFFAOYSA-N 2 1 298.471 2.282 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858098 419451095 /nfs/dbraw/zinc/45/10/95/419451095.db2.gz XCMKOMDNJBCBAW-AWEZNQCLSA-N 2 1 250.390 2.004 20 0 CEADMP C[C@H](CC1CCC1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000666978559 419500336 /nfs/dbraw/zinc/50/03/36/419500336.db2.gz PLXOYAYNIVFTHL-ODIFPOPNSA-N 2 1 279.472 2.371 20 0 CEADMP CC(C)n1nccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993745 419504572 /nfs/dbraw/zinc/50/45/72/419504572.db2.gz HAIUVGVAABZKEB-CYBMUJFWSA-N 2 1 262.401 2.228 20 0 CEADMP c1cc2c(c(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)c1)OCO2 ZINC000666999432 419508445 /nfs/dbraw/zinc/50/84/45/419508445.db2.gz HVYGDBFEQWIDKA-CYBMUJFWSA-N 2 1 274.364 2.180 20 0 CEADMP c1nc2ccccn2c1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998374 419509159 /nfs/dbraw/zinc/50/91/59/419509159.db2.gz PVNUFGBVWFNHGG-CYBMUJFWSA-N 2 1 270.380 2.099 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccsc1 ZINC000666313938 419623445 /nfs/dbraw/zinc/62/34/45/419623445.db2.gz ITZFHZZQIHNJPI-LBPRGKRZSA-N 2 1 298.456 2.142 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccsc1 ZINC000666313938 419623459 /nfs/dbraw/zinc/62/34/59/419623459.db2.gz ITZFHZZQIHNJPI-LBPRGKRZSA-N 2 1 298.456 2.142 20 0 CEADMP C[C@@H]1C[C@H](N(C)Cc2ccnn2-c2cc[nH+]cc2)CC[N@H+]1C ZINC000667667937 419765289 /nfs/dbraw/zinc/76/52/89/419765289.db2.gz ZEYVWVKTINTCNP-GDBMZVCRSA-N 2 1 299.422 2.182 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000666705028 419779824 /nfs/dbraw/zinc/77/98/24/419779824.db2.gz BYZGGHQVNRZQDO-CQSZACIVSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCOCC2(CCCC2)C1 ZINC000666705028 419779832 /nfs/dbraw/zinc/77/98/32/419779832.db2.gz BYZGGHQVNRZQDO-CQSZACIVSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCOCC3(CCCC3)C2)CC[NH2+]1 ZINC000666705409 419780032 /nfs/dbraw/zinc/78/00/32/419780032.db2.gz PMWCOAWOJHTKBK-HUUCEWRRSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667730793 419785858 /nfs/dbraw/zinc/78/58/58/419785858.db2.gz AGJGLSQUMPXIPN-CYBMUJFWSA-N 2 1 290.411 2.141 20 0 CEADMP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCOCC1 ZINC000518055737 260339550 /nfs/dbraw/zinc/33/95/50/260339550.db2.gz YTXJITKCBOKYKG-RDJZCZTQSA-N 2 1 298.471 2.282 20 0 CEADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCOCC1 ZINC000518055737 260339551 /nfs/dbraw/zinc/33/95/51/260339551.db2.gz YTXJITKCBOKYKG-RDJZCZTQSA-N 2 1 298.471 2.282 20 0 CEADMP OC1(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000309801681 262023995 /nfs/dbraw/zinc/02/39/95/262023995.db2.gz JZISIUUTPZBYPX-KRWDZBQOSA-N 2 1 288.435 2.403 20 0 CEADMP Cc1ncsc1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000391105977 262381432 /nfs/dbraw/zinc/38/14/32/262381432.db2.gz CTKWCSMSHRXQOZ-DMDPSCGWSA-N 2 1 267.442 2.312 20 0 CEADMP CCC[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000187679048 270255407 /nfs/dbraw/zinc/25/54/07/270255407.db2.gz BRWJDVLZEAOOQB-CVEARBPZSA-N 2 1 267.461 2.277 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](CCC[NH3+])CC2CCCC2)CC[NH2+]1 ZINC000414774327 263043328 /nfs/dbraw/zinc/04/33/28/263043328.db2.gz BFPHVOXGSLYUBF-GDBMZVCRSA-N 3 1 267.461 2.216 20 0 CEADMP COC1([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)CCOCC1 ZINC000453390152 263260262 /nfs/dbraw/zinc/26/02/62/263260262.db2.gz CZIARCMZXVKUFN-CQSZACIVSA-N 2 1 284.444 2.035 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C1CC1 ZINC000425415516 264293125 /nfs/dbraw/zinc/29/31/25/264293125.db2.gz GRHYUFQQWIAGMU-ZBFHGGJFSA-N 2 1 266.429 2.075 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CC1 ZINC000425415516 264293126 /nfs/dbraw/zinc/29/31/26/264293126.db2.gz GRHYUFQQWIAGMU-ZBFHGGJFSA-N 2 1 266.429 2.075 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CC1 ZINC000425415516 264293127 /nfs/dbraw/zinc/29/31/27/264293127.db2.gz GRHYUFQQWIAGMU-ZBFHGGJFSA-N 2 1 266.429 2.075 20 0 CEADMP Cn1cncc1CCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000518995796 265286891 /nfs/dbraw/zinc/28/68/91/265286891.db2.gz JDUYEWDMYMJXAW-HNNXBMFYSA-N 2 1 278.444 2.159 20 0 CEADMP Cn1cncc1CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000518995796 265286895 /nfs/dbraw/zinc/28/68/95/265286895.db2.gz JDUYEWDMYMJXAW-HNNXBMFYSA-N 2 1 278.444 2.159 20 0 CEADMP Cn1cncc1CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000518995796 265286897 /nfs/dbraw/zinc/28/68/97/265286897.db2.gz JDUYEWDMYMJXAW-HNNXBMFYSA-N 2 1 278.444 2.159 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000044532953 270229570 /nfs/dbraw/zinc/22/95/70/270229570.db2.gz SPNVBPFFBZBVDG-ZDUSSCGKSA-N 2 1 264.417 2.070 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000044532953 270229571 /nfs/dbraw/zinc/22/95/71/270229571.db2.gz SPNVBPFFBZBVDG-ZDUSSCGKSA-N 2 1 264.417 2.070 20 0 CEADMP Cc1ccc(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)o1 ZINC000192718970 270279722 /nfs/dbraw/zinc/27/97/22/270279722.db2.gz VHMVSLDZRVXKHV-UHFFFAOYSA-N 2 1 293.455 2.436 20 0 CEADMP CCC[C@@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000192780062 270280066 /nfs/dbraw/zinc/28/00/66/270280066.db2.gz VJEBDMWHZYMYAF-CQSZACIVSA-N 2 1 255.450 2.133 20 0 CEADMP CCN(CCC[NH2+]C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000226318737 270309885 /nfs/dbraw/zinc/30/98/85/270309885.db2.gz JRNBKISZAHHARF-UHFFFAOYSA-N 2 1 299.459 2.317 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000237053448 270318911 /nfs/dbraw/zinc/31/89/11/270318911.db2.gz AMQOFUCLGHXQDQ-YOEHRIQHSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C[N@H+]1C1CC1 ZINC000237588978 270322482 /nfs/dbraw/zinc/32/24/82/270322482.db2.gz HNGNTBLWGQPOQH-CLWVCHIJSA-N 2 1 293.455 2.026 20 0 CEADMP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC000268878326 270330785 /nfs/dbraw/zinc/33/07/85/270330785.db2.gz VWRPARZOMBFNIP-KBPBESRZSA-N 2 1 260.385 2.014 20 0 CEADMP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000268878326 270330787 /nfs/dbraw/zinc/33/07/87/270330787.db2.gz VWRPARZOMBFNIP-KBPBESRZSA-N 2 1 260.385 2.014 20 0 CEADMP Cc1nc2ccccc2n1CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395158272 270345309 /nfs/dbraw/zinc/34/53/09/270345309.db2.gz HBQMJBUWGJTWAN-HIFRSBDPSA-N 2 1 286.423 2.465 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(O)cc(F)c2)C[C@H]1C[NH3+] ZINC000397340731 270353560 /nfs/dbraw/zinc/35/35/60/270353560.db2.gz VNAKTCULKNRSLP-NTZNESFSSA-N 2 1 266.360 2.337 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(O)cc(F)c2)C[C@H]1C[NH3+] ZINC000397340731 270353561 /nfs/dbraw/zinc/35/35/61/270353561.db2.gz VNAKTCULKNRSLP-NTZNESFSSA-N 2 1 266.360 2.337 20 0 CEADMP CC(C)n1nccc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397485268 270353998 /nfs/dbraw/zinc/35/39/98/270353998.db2.gz UJGALZPNEGPVHQ-MCIONIFRSA-N 2 1 264.417 2.269 20 0 CEADMP CC(C)n1nccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397485268 270353999 /nfs/dbraw/zinc/35/39/99/270353999.db2.gz UJGALZPNEGPVHQ-MCIONIFRSA-N 2 1 264.417 2.269 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCOCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000397403213 270354447 /nfs/dbraw/zinc/35/44/47/270354447.db2.gz KSWDVIWCCNHECZ-UTUOFQBUSA-N 2 1 282.350 2.261 20 0 CEADMP CC(C)CN1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000422822134 270784435 /nfs/dbraw/zinc/78/44/35/270784435.db2.gz ZYTKOWNNPNMYQL-AWEZNQCLSA-N 2 1 255.450 2.214 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000423089976 270834136 /nfs/dbraw/zinc/83/41/36/270834136.db2.gz WHQOYBAIGWLENJ-RYRKJORJSA-N 2 1 287.451 2.491 20 0 CEADMP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000423107424 270838546 /nfs/dbraw/zinc/83/85/46/270838546.db2.gz KVIZKWQTFMCNPS-UTUOFQBUSA-N 2 1 292.345 2.076 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000423257891 270883341 /nfs/dbraw/zinc/88/33/41/270883341.db2.gz ANOUDJTYRYSEGG-GMTAPVOTSA-N 2 1 268.323 2.059 20 0 CEADMP CSc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)cc1F ZINC000423303681 270893025 /nfs/dbraw/zinc/89/30/25/270893025.db2.gz MLGFRZQCIOKFSS-VIFPVBQESA-N 2 1 254.374 2.418 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc2c(c1)OCCCO2 ZINC000423337374 270899204 /nfs/dbraw/zinc/89/92/04/270899204.db2.gz YGOWVEXVWDNXMJ-BXUZGUMPSA-N 2 1 276.380 2.236 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C[C@H]2C1 ZINC000424270812 271036921 /nfs/dbraw/zinc/03/69/21/271036921.db2.gz QZPWLKPZTULZLR-GGGWTEGZSA-N 2 1 278.440 2.406 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424433219 271056484 /nfs/dbraw/zinc/05/64/84/271056484.db2.gz IEPWPWDBZYEGMK-UHFFFAOYSA-N 2 1 292.427 2.307 20 0 CEADMP COCC(C)(C)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000426409847 271219228 /nfs/dbraw/zinc/21/92/28/271219228.db2.gz GTQDXORTRUNEPW-KBPBESRZSA-N 2 1 254.418 2.075 20 0 CEADMP COCC(C)(C)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000426409847 271219230 /nfs/dbraw/zinc/21/92/30/271219230.db2.gz GTQDXORTRUNEPW-KBPBESRZSA-N 2 1 254.418 2.075 20 0 CEADMP C[C@H]1CCCC[C@H]1OCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430565902 271393269 /nfs/dbraw/zinc/39/32/69/271393269.db2.gz BKSARBYKHUZLRC-UONOGXRCSA-N 2 1 256.434 2.498 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOCCOc2ccccc2)C1 ZINC000430579475 271394211 /nfs/dbraw/zinc/39/42/11/271394211.db2.gz QILFMCQBTVTHOR-JKSUJKDBSA-N 2 1 292.423 2.141 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430596472 271398422 /nfs/dbraw/zinc/39/84/22/271398422.db2.gz OJJAWQAHXCPJGD-MRXNPFEDSA-N 2 1 295.402 2.426 20 0 CEADMP C[NH2+]CC1CC[NH+]([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000430923908 271413393 /nfs/dbraw/zinc/41/33/93/271413393.db2.gz GSQWZYQNWZDGKU-LLVKDONJSA-N 2 1 280.416 2.360 20 0 CEADMP Cc1ccn2c(C[N@H+]3CCC[C@H](CC[NH3+])C3)cnc2c1 ZINC000442929480 271844709 /nfs/dbraw/zinc/84/47/09/271844709.db2.gz RFNGHKVPGYVXIE-CQSZACIVSA-N 2 1 272.396 2.204 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000414940830 274307902 /nfs/dbraw/zinc/30/79/02/274307902.db2.gz YBNKBBHQSVRBEP-VNHYZAJKSA-N 2 1 260.381 2.140 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261546688 274377969 /nfs/dbraw/zinc/37/79/69/274377969.db2.gz LFPZLQJKFIOPBX-CRAIPNDOSA-N 2 1 287.451 2.239 20 0 CEADMP CC[N@@H+](CC1CC[NH2+]CC1)C[C@@H]1COc2ccccc2O1 ZINC000094025082 276121365 /nfs/dbraw/zinc/12/13/65/276121365.db2.gz MXJBOJFVMVJAKP-OAHLLOKOSA-N 2 1 290.407 2.148 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cn3c(n2)CCCC3)[C@@H](C)C1 ZINC000372785362 276228940 /nfs/dbraw/zinc/22/89/40/276228940.db2.gz YQUJDLWXSDORSI-HOCLYGCPSA-N 2 1 290.455 2.082 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C1(C)C ZINC000368451645 276345666 /nfs/dbraw/zinc/34/56/66/276345666.db2.gz XFKQALFDXDNOAX-MGPQQGTHSA-N 2 1 277.412 2.239 20 0 CEADMP CC[C@@H]1C[C@H](C[NH2+][C@@H](C[NH3+])C2CCCC2)CCO1 ZINC000415064580 276519750 /nfs/dbraw/zinc/51/97/50/276519750.db2.gz LBJQMBGALNNRAB-YUELXQCFSA-N 2 1 254.418 2.299 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000351956880 277059622 /nfs/dbraw/zinc/05/96/22/277059622.db2.gz IOVYRFXKDLKSSJ-RBSFLKMASA-N 2 1 266.429 2.360 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000351956880 277059623 /nfs/dbraw/zinc/05/96/23/277059623.db2.gz IOVYRFXKDLKSSJ-RBSFLKMASA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000351956880 277059624 /nfs/dbraw/zinc/05/96/24/277059624.db2.gz IOVYRFXKDLKSSJ-RBSFLKMASA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000351956880 277059626 /nfs/dbraw/zinc/05/96/26/277059626.db2.gz IOVYRFXKDLKSSJ-RBSFLKMASA-N 2 1 266.429 2.360 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000305612770 277061040 /nfs/dbraw/zinc/06/10/40/277061040.db2.gz AIGAELQRXLVYQI-BZUAXINKSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000305612770 277061041 /nfs/dbraw/zinc/06/10/41/277061041.db2.gz AIGAELQRXLVYQI-BZUAXINKSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000305612770 277061042 /nfs/dbraw/zinc/06/10/42/277061042.db2.gz AIGAELQRXLVYQI-BZUAXINKSA-N 2 1 266.429 2.098 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCSC3)CC[C@H]21 ZINC000375757048 277069028 /nfs/dbraw/zinc/06/90/28/277069028.db2.gz ITZQLDIOVNDZDB-MGPQQGTHSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCSC3)CC[C@H]21 ZINC000375757048 277069029 /nfs/dbraw/zinc/06/90/29/277069029.db2.gz ITZQLDIOVNDZDB-MGPQQGTHSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCSC3)CC[C@H]21 ZINC000375757048 277069030 /nfs/dbraw/zinc/06/90/30/277069030.db2.gz ITZQLDIOVNDZDB-MGPQQGTHSA-N 2 1 254.443 2.156 20 0 CEADMP C[N@H+]1CC[C@@H](NC2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000335453433 277137872 /nfs/dbraw/zinc/13/78/72/277137872.db2.gz UQDNFWSYJXGUDY-IAGOWNOFSA-N 2 1 273.424 2.164 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)[C@@H]1C ZINC000354350263 277325948 /nfs/dbraw/zinc/32/59/48/277325948.db2.gz ZUNUBRWHHKSAQK-IJEWVQPXSA-N 2 1 296.455 2.428 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)[C@@H]1C ZINC000354350263 277325949 /nfs/dbraw/zinc/32/59/49/277325949.db2.gz ZUNUBRWHHKSAQK-IJEWVQPXSA-N 2 1 296.455 2.428 20 0 CEADMP CO[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(F)(F)F ZINC000345441481 277327403 /nfs/dbraw/zinc/32/74/03/277327403.db2.gz BBWLHDWECNADEB-HBNTYKKESA-N 2 1 268.323 2.026 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1(C)C ZINC000247170976 277360529 /nfs/dbraw/zinc/36/05/29/277360529.db2.gz SNVIFBMYIJZYKX-SFDCQRBFSA-N 2 1 254.418 2.262 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1(C)C ZINC000247170976 277360530 /nfs/dbraw/zinc/36/05/30/277360530.db2.gz SNVIFBMYIJZYKX-SFDCQRBFSA-N 2 1 254.418 2.262 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCCC[C@@H]2CC[NH3+])c1C ZINC000111380602 277362514 /nfs/dbraw/zinc/36/25/14/277362514.db2.gz BJTOIEGFXCFJOU-CQSZACIVSA-N 2 1 277.412 2.410 20 0 CEADMP COc1c(C)cnc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1C ZINC000111380602 277362517 /nfs/dbraw/zinc/36/25/17/277362517.db2.gz BJTOIEGFXCFJOU-CQSZACIVSA-N 2 1 277.412 2.410 20 0 CEADMP COc1c(C)cnc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1C ZINC000111380602 277362518 /nfs/dbraw/zinc/36/25/18/277362518.db2.gz BJTOIEGFXCFJOU-CQSZACIVSA-N 2 1 277.412 2.410 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000373644636 277366516 /nfs/dbraw/zinc/36/65/16/277366516.db2.gz OCYSJPMLDXFPEB-TWMKSMIVSA-N 2 1 280.456 2.200 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000373644636 277366517 /nfs/dbraw/zinc/36/65/17/277366517.db2.gz OCYSJPMLDXFPEB-TWMKSMIVSA-N 2 1 280.456 2.200 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000373644636 277366518 /nfs/dbraw/zinc/36/65/18/277366518.db2.gz OCYSJPMLDXFPEB-TWMKSMIVSA-N 2 1 280.456 2.200 20 0 CEADMP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000161584229 277386403 /nfs/dbraw/zinc/38/64/03/277386403.db2.gz ADCOCJBLIBMWAD-IAGOWNOFSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000221943129 277386763 /nfs/dbraw/zinc/38/67/63/277386763.db2.gz KXQAFLZGQFNANS-HOCLYGCPSA-N 2 1 267.461 2.037 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C12CCC2 ZINC000373554913 277697505 /nfs/dbraw/zinc/69/75/05/277697505.db2.gz NLFQSWBSYXTNTA-BFJAYTPKSA-N 2 1 289.423 2.239 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000356675346 278013414 /nfs/dbraw/zinc/01/34/14/278013414.db2.gz KLULKWCWOCLADX-KBXIAJHMSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC(C)(C)O2)CC[N@@H+]1C ZINC000184658997 278014325 /nfs/dbraw/zinc/01/43/25/278014325.db2.gz CPZMYEFOZKYQII-MCIONIFRSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC(C)(C)O2)CC[N@H+]1C ZINC000184658997 278014326 /nfs/dbraw/zinc/01/43/26/278014326.db2.gz CPZMYEFOZKYQII-MCIONIFRSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC(C)(C)O2)CC[NH+]1C ZINC000184658997 278014327 /nfs/dbraw/zinc/01/43/27/278014327.db2.gz CPZMYEFOZKYQII-MCIONIFRSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC(C)(C)O2)CC[NH+]1C ZINC000184658997 278014328 /nfs/dbraw/zinc/01/43/28/278014328.db2.gz CPZMYEFOZKYQII-MCIONIFRSA-N 2 1 254.418 2.359 20 0 CEADMP CSC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC[NH+](C)CC1 ZINC000353612175 278126130 /nfs/dbraw/zinc/12/61/30/278126130.db2.gz QYWPVQPLNGHQJT-RBSFLKMASA-N 3 1 299.528 2.132 20 0 CEADMP CSC1(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)CC[NH+](C)CC1 ZINC000353612175 278126133 /nfs/dbraw/zinc/12/61/33/278126133.db2.gz QYWPVQPLNGHQJT-RBSFLKMASA-N 2 1 299.528 2.132 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000358079051 278164173 /nfs/dbraw/zinc/16/41/73/278164173.db2.gz CSLSTDLLUCPXNF-RFQIPJPRSA-N 2 1 284.444 2.425 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516086 278170696 /nfs/dbraw/zinc/17/06/96/278170696.db2.gz KZGHOUWTTNFZGF-KFWWJZLASA-N 3 1 255.450 2.227 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253879 278212113 /nfs/dbraw/zinc/21/21/13/278212113.db2.gz HFUJYMCPZXMEOP-OAHLLOKOSA-N 2 1 289.423 2.419 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253879 278212115 /nfs/dbraw/zinc/21/21/15/278212115.db2.gz HFUJYMCPZXMEOP-OAHLLOKOSA-N 2 1 289.423 2.419 20 0 CEADMP CC(=O)Nc1ccccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253879 278212116 /nfs/dbraw/zinc/21/21/16/278212116.db2.gz HFUJYMCPZXMEOP-OAHLLOKOSA-N 2 1 289.423 2.419 20 0 CEADMP CC(=O)Nc1ccccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253879 278212117 /nfs/dbraw/zinc/21/21/17/278212117.db2.gz HFUJYMCPZXMEOP-OAHLLOKOSA-N 2 1 289.423 2.419 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000091662284 278265430 /nfs/dbraw/zinc/26/54/30/278265430.db2.gz XYYRPBFKRXHIFP-CFVMTHIKSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000091662284 278265432 /nfs/dbraw/zinc/26/54/32/278265432.db2.gz XYYRPBFKRXHIFP-CFVMTHIKSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]1CCCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000335644346 278337945 /nfs/dbraw/zinc/33/79/45/278337945.db2.gz TYSOOKHFHNBQKN-ZGRYLRDCSA-N 2 1 279.472 2.371 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000093215082 278342060 /nfs/dbraw/zinc/34/20/60/278342060.db2.gz YBEWXQYAGHLMNT-GXTWGEPZSA-N 3 1 253.434 2.109 20 0 CEADMP CC1(C)C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C(C)(C)O1 ZINC000305112224 278368936 /nfs/dbraw/zinc/36/89/36/278368936.db2.gz GLIXUQSPFYPGBZ-HUUCEWRRSA-N 2 1 298.471 2.159 20 0 CEADMP CC(C)C[C@H](C)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414776785 279096710 /nfs/dbraw/zinc/09/67/10/279096710.db2.gz HSZUSKKWPBIAGN-GJZGRUSLSA-N 2 1 268.445 2.356 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000355326785 279160855 /nfs/dbraw/zinc/16/08/55/279160855.db2.gz DINVOYWTXCZCAG-SYQHCUMBSA-N 2 1 256.434 2.366 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]Cc1ccccc1Br ZINC000258812112 279289581 /nfs/dbraw/zinc/28/95/81/279289581.db2.gz SNGAESOKEQRSAV-SECBINFHSA-N 2 1 257.175 2.134 20 0 CEADMP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000172646810 288158561 /nfs/dbraw/zinc/15/85/61/288158561.db2.gz CHENLEJJGDJIBT-WNKDZCFJSA-N 2 1 298.471 2.375 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCc2nccs2)CC[N@H+]1C ZINC000358052643 280009943 /nfs/dbraw/zinc/00/99/43/280009943.db2.gz YAMPBUXBNLPECQ-NWDGAFQWSA-N 2 1 253.415 2.148 20 0 CEADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268852261 280033955 /nfs/dbraw/zinc/03/39/55/280033955.db2.gz PYUVISSEPOBTJE-KBXCAEBGSA-N 2 1 288.435 2.356 20 0 CEADMP CC[C@@H](C(=O)N1CC[NH2+]Cc2ccccc21)[NH+](CC)CC ZINC000274053519 280071940 /nfs/dbraw/zinc/07/19/40/280071940.db2.gz LRZKTFWPFDCRTO-HNNXBMFYSA-N 2 1 289.423 2.243 20 0 CEADMP CCOc1ncccc1CN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000151186478 280090531 /nfs/dbraw/zinc/09/05/31/280090531.db2.gz NYFCSTAXCXSHQN-HIFRSBDPSA-N 2 1 277.412 2.300 20 0 CEADMP COCC[N@@H+](C)CCCN[C@@H](C)c1cnn(C(C)C)c1C ZINC000191169779 280164342 /nfs/dbraw/zinc/16/43/42/280164342.db2.gz SEYMHXDNIXBUNE-AWEZNQCLSA-N 2 1 296.459 2.391 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191169779 280164344 /nfs/dbraw/zinc/16/43/44/280164344.db2.gz SEYMHXDNIXBUNE-AWEZNQCLSA-N 2 1 296.459 2.391 20 0 CEADMP CC(C)[C@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000352790800 280165871 /nfs/dbraw/zinc/16/58/71/280165871.db2.gz GIHCWWGQGBQZJZ-ARFHVFGLSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[C@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000352790800 280165873 /nfs/dbraw/zinc/16/58/73/280165873.db2.gz GIHCWWGQGBQZJZ-ARFHVFGLSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@H](NC[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)c(F)c1 ZINC000212708672 280207518 /nfs/dbraw/zinc/20/75/18/280207518.db2.gz FVCIRFVYHYFUPR-AAEUAGOBSA-N 2 1 299.821 2.376 20 0 CEADMP C[C@H](NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)c(F)c1 ZINC000212708672 280207520 /nfs/dbraw/zinc/20/75/20/280207520.db2.gz FVCIRFVYHYFUPR-AAEUAGOBSA-N 2 1 299.821 2.376 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000228298248 280217306 /nfs/dbraw/zinc/21/73/06/280217306.db2.gz RBTAFIYOZDUJJH-YOEHRIQHSA-N 2 1 288.435 2.484 20 0 CEADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000313363594 280285560 /nfs/dbraw/zinc/28/55/60/280285560.db2.gz ZCWGHPORSBIPQO-KFWWJZLASA-N 2 1 254.418 2.252 20 0 CEADMP CC[N@@H+](CC(=O)NCCCC[NH+]1CCCC[C@H]1C)C1CC1 ZINC000246377738 280290264 /nfs/dbraw/zinc/29/02/64/280290264.db2.gz ZCPRNMBNWHWBLS-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000246377738 280290269 /nfs/dbraw/zinc/29/02/69/280290269.db2.gz ZCPRNMBNWHWBLS-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+](CC(=O)NCCCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000246377738 280290271 /nfs/dbraw/zinc/29/02/71/280290271.db2.gz ZCPRNMBNWHWBLS-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](CCC[N@H+](C)C[C@H]1CCCOC1)C[C@@H]1CCCOC1 ZINC000247035127 280318488 /nfs/dbraw/zinc/31/84/88/280318488.db2.gz PMSTZHDCKVVRRH-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP C[NH+](CCC[N@H+](C)C[C@@H]1CCCOC1)C[C@H]1CCCOC1 ZINC000247035127 280318489 /nfs/dbraw/zinc/31/84/89/280318489.db2.gz PMSTZHDCKVVRRH-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP C[NH+](CCC[N@@H+](C)C[C@@H]1CCCOC1)C[C@H]1CCCOC1 ZINC000247035127 280318491 /nfs/dbraw/zinc/31/84/91/280318491.db2.gz PMSTZHDCKVVRRH-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H](C)[NH+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000247180897 280322426 /nfs/dbraw/zinc/32/24/26/280322426.db2.gz VFVSPFUHPYAQSW-YVSFHVDLSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000247180897 280322431 /nfs/dbraw/zinc/32/24/31/280322431.db2.gz VFVSPFUHPYAQSW-YVSFHVDLSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H](C)[N@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000247180897 280322433 /nfs/dbraw/zinc/32/24/33/280322433.db2.gz VFVSPFUHPYAQSW-YVSFHVDLSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H](CC(C)C)[NH+](C)C)[C@H](C)C1 ZINC000247207305 280323048 /nfs/dbraw/zinc/32/30/48/280323048.db2.gz WRRNYCJYBMFMNP-PMPSAXMXSA-N 3 1 269.477 2.283 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCOCC2CCOCC2)[C@@H](C)C1 ZINC000248217429 280343430 /nfs/dbraw/zinc/34/34/30/280343430.db2.gz ZWMIYRACXUWJDM-RDJZCZTQSA-N 2 1 298.471 2.140 20 0 CEADMP C[C@@H](CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000248507762 280350957 /nfs/dbraw/zinc/35/09/57/280350957.db2.gz XQIQLCQJDLJMGE-ARFHVFGLSA-N 2 1 267.461 2.323 20 0 CEADMP CC[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248567639 280353024 /nfs/dbraw/zinc/35/30/24/280353024.db2.gz LEZMLJROFJDGMH-KKUMJFAQSA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248567639 280353025 /nfs/dbraw/zinc/35/30/25/280353025.db2.gz LEZMLJROFJDGMH-KKUMJFAQSA-N 2 1 295.471 2.144 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2CCCO2)[C@@H](C)C1 ZINC000249262071 280389918 /nfs/dbraw/zinc/38/99/18/280389918.db2.gz ICQIRLQIYZYZIU-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2CCCO2)[C@@H](C)C1 ZINC000249262071 280389922 /nfs/dbraw/zinc/38/99/22/280389922.db2.gz ICQIRLQIYZYZIU-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@H](C)c2c[nH+]ccc2N)n1 ZINC000422932652 280971786 /nfs/dbraw/zinc/97/17/86/280971786.db2.gz GGVZYSPPPOMEFK-LLVKDONJSA-N 2 1 289.383 2.284 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1Cl ZINC000422945855 280974601 /nfs/dbraw/zinc/97/46/01/280974601.db2.gz VMAJRVYKKGKLAI-VIFPVBQESA-N 2 1 254.761 2.046 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000423027812 280999225 /nfs/dbraw/zinc/99/92/25/280999225.db2.gz DZCSJGFVVVACNN-GRYCIOLGSA-N 2 1 251.349 2.259 20 0 CEADMP C[C@H](CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C)[NH+]1CCCCC1 ZINC000423033288 281003666 /nfs/dbraw/zinc/00/36/66/281003666.db2.gz OAGZJPAJUMVLLC-OAGGEKHMSA-N 3 1 267.461 2.229 20 0 CEADMP Cn1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c(-c2ccccc2)n1 ZINC000423033298 281003815 /nfs/dbraw/zinc/00/38/15/281003815.db2.gz OCMVMMGQJNETSM-GJZGRUSLSA-N 2 1 270.380 2.057 20 0 CEADMP CC[C@@H]([NH2+][C@@H](CO)Cc1ccccc1C)[C@@H]1CCC[NH2+]1 ZINC000423057696 281013092 /nfs/dbraw/zinc/01/30/92/281013092.db2.gz HZCPGIFENTVSLU-ZACQAIPSSA-N 2 1 276.424 2.019 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2N(C)C1)[C@H]1CCCC[NH2+]1 ZINC000423061292 281015507 /nfs/dbraw/zinc/01/55/07/281015507.db2.gz QLZZXEBRFIYGCT-HLLBOEOZSA-N 2 1 287.451 2.415 20 0 CEADMP FC(F)(F)C1CC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423134971 281018364 /nfs/dbraw/zinc/01/83/64/281018364.db2.gz XIXDWXXJAQVRKZ-WJFHSMSDSA-N 2 1 292.345 2.074 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000423382627 281026987 /nfs/dbraw/zinc/02/69/87/281026987.db2.gz DNZZZAQGTIIPEH-QPUJVOFHSA-N 2 1 269.186 2.373 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423382639 281027021 /nfs/dbraw/zinc/02/70/21/281027021.db2.gz DPGZEMMHYPQNOB-GXSJLCMTSA-N 2 1 283.213 2.243 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423435611 281041266 /nfs/dbraw/zinc/04/12/66/281041266.db2.gz LFZPLBSGVDOLDW-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCCO2 ZINC000423447574 281045831 /nfs/dbraw/zinc/04/58/31/281045831.db2.gz ZQJXZAXAYFJRIN-XUWVNRHRSA-N 2 1 272.392 2.325 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423465626 281048966 /nfs/dbraw/zinc/04/89/66/281048966.db2.gz MVHZTDOEKOZKKO-UKRRQHHQSA-N 3 1 279.428 2.015 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc2c(s1)CCC2 ZINC000423496076 281055481 /nfs/dbraw/zinc/05/54/81/281055481.db2.gz WBEDTUQIVCBTKY-WCQYABFASA-N 2 1 280.437 2.266 20 0 CEADMP Cc1cc(C)cc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000423529271 281062963 /nfs/dbraw/zinc/06/29/63/281062963.db2.gz XQFBKTFYCNJEDR-GOEBONIOSA-N 2 1 262.397 2.333 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000423773536 281091090 /nfs/dbraw/zinc/09/10/90/281091090.db2.gz MWQZCAZAXWLMQZ-RRFJBIMHSA-N 2 1 283.460 2.131 20 0 CEADMP C[NH+]1CCC([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)CC1 ZINC000424183934 281129200 /nfs/dbraw/zinc/12/92/00/281129200.db2.gz CZCYFKPGECLKPW-UHFFFAOYSA-N 2 1 284.444 2.428 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](C2CCC2)C2CCCCC2)C1 ZINC000424278291 281143105 /nfs/dbraw/zinc/14/31/05/281143105.db2.gz IBTUUHLGOYQGCH-SJORKVTESA-N 2 1 280.456 2.392 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](C2CCC2)C2CCCCC2)C1 ZINC000424278291 281143107 /nfs/dbraw/zinc/14/31/07/281143107.db2.gz IBTUUHLGOYQGCH-SJORKVTESA-N 2 1 280.456 2.392 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](C2CCC2)C2CCCCC2)C1 ZINC000424278289 281143209 /nfs/dbraw/zinc/14/32/09/281143209.db2.gz IBTUUHLGOYQGCH-IAGOWNOFSA-N 2 1 280.456 2.392 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](C2CCC2)C2CCCCC2)C1 ZINC000424278289 281143211 /nfs/dbraw/zinc/14/32/11/281143211.db2.gz IBTUUHLGOYQGCH-IAGOWNOFSA-N 2 1 280.456 2.392 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424375469 281153161 /nfs/dbraw/zinc/15/31/61/281153161.db2.gz JVYKDCKLNJEVBL-ZDUSSCGKSA-N 2 1 282.428 2.040 20 0 CEADMP F[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425896203 281190489 /nfs/dbraw/zinc/19/04/89/281190489.db2.gz NVWXRFXQOUWDJV-OLZOCXBDSA-N 2 1 267.348 2.122 20 0 CEADMP CC(C)CCc1noc(C[NH+]2CCC([C@H](C)[NH3+])CC2)n1 ZINC000430935642 281282745 /nfs/dbraw/zinc/28/27/45/281282745.db2.gz UUSLHEMBDGWPEH-LBPRGKRZSA-N 2 1 280.416 2.217 20 0 CEADMP CN(C)c1cc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc[nH+]1 ZINC000430999670 281285789 /nfs/dbraw/zinc/28/57/89/281285789.db2.gz ADKDIUOIFKFSMV-KBPBESRZSA-N 2 1 290.411 2.384 20 0 CEADMP C[C@@H](Nc1[nH+]cnc2[nH]ccc21)C(C)(C)C[NH+](C)C ZINC000444083609 281565782 /nfs/dbraw/zinc/56/57/82/281565782.db2.gz QBOXLTRLGNVVJE-SNVBAGLBSA-N 2 1 261.373 2.346 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000347518529 282024962 /nfs/dbraw/zinc/02/49/62/282024962.db2.gz IIFGKKFJKNTOFQ-QLFBSQMISA-N 2 1 297.487 2.390 20 0 CEADMP CCC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414714649 282035238 /nfs/dbraw/zinc/03/52/38/282035238.db2.gz XTFLMAFRGNMCIT-GJZGRUSLSA-N 2 1 295.471 2.084 20 0 CEADMP CN(CCC[N@@H+](C)[C@@H]1C[C@@H]1c1ccccc1)CC[NH+](C)C ZINC000361396662 289133069 /nfs/dbraw/zinc/13/30/69/289133069.db2.gz UNXMWEDMZXFLSU-QZTJIDSGSA-N 2 1 289.467 2.358 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000370718232 289297550 /nfs/dbraw/zinc/29/75/50/289297550.db2.gz AWDBKDDWHMLQQT-PVAVHDDUSA-N 2 1 274.408 2.061 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000414880531 289538540 /nfs/dbraw/zinc/53/85/40/289538540.db2.gz QYKDWJPLULPUBW-IIAWOOMASA-N 3 1 267.461 2.214 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCCOC1 ZINC000356833917 290019473 /nfs/dbraw/zinc/01/94/73/290019473.db2.gz FTKRYTGKLKMLHW-BYNSBNAKSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCCOC1 ZINC000356833917 290019474 /nfs/dbraw/zinc/01/94/74/290019474.db2.gz FTKRYTGKLKMLHW-BYNSBNAKSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCn1cc(Cl)cn1 ZINC000459358581 290125699 /nfs/dbraw/zinc/12/56/99/290125699.db2.gz BGDRVDNCCYCQGX-UHFFFAOYSA-N 2 1 281.791 2.064 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCn1cc(Cl)cn1 ZINC000459358581 290125700 /nfs/dbraw/zinc/12/57/00/290125700.db2.gz BGDRVDNCCYCQGX-UHFFFAOYSA-N 2 1 281.791 2.064 20 0 CEADMP C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000459510452 290167743 /nfs/dbraw/zinc/16/77/43/290167743.db2.gz OKTGUCURXNTSTD-QGZVFWFLSA-N 2 1 277.456 2.220 20 0 CEADMP CSC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC[NH+](C)CC1 ZINC000459564881 290181184 /nfs/dbraw/zinc/18/11/84/290181184.db2.gz QIDNUSILVUYIFE-UHFFFAOYSA-N 3 1 297.512 2.030 20 0 CEADMP CC(C)[C@@H](CO)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)C ZINC000459568279 290182278 /nfs/dbraw/zinc/18/22/78/290182278.db2.gz BMJHDBYGSZPHCG-IAGOWNOFSA-N 2 1 282.472 2.492 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC2)[C@@H]1c1ccccc1 ZINC000364024104 290196157 /nfs/dbraw/zinc/19/61/57/290196157.db2.gz UUPHIKQBFDJHCK-PMPSAXMXSA-N 2 1 260.381 2.058 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)[C@@H](C)C1 ZINC000459629249 290199888 /nfs/dbraw/zinc/19/98/88/290199888.db2.gz GWMSHQOQWJNRGQ-XQLPTFJDSA-N 2 1 254.418 2.262 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459684142 290210411 /nfs/dbraw/zinc/21/04/11/290210411.db2.gz UAVHCQRJFAQUFG-GJZGRUSLSA-N 2 1 275.396 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459684142 290210414 /nfs/dbraw/zinc/21/04/14/290210414.db2.gz UAVHCQRJFAQUFG-GJZGRUSLSA-N 2 1 275.396 2.083 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](C)C[C@H]1C)CCO2 ZINC000468027609 290269818 /nfs/dbraw/zinc/26/98/18/290269818.db2.gz DWJXLUDAXAJKJT-KCXAZCMYSA-N 2 1 290.407 2.449 20 0 CEADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)CCO2 ZINC000468027609 290269819 /nfs/dbraw/zinc/26/98/19/290269819.db2.gz DWJXLUDAXAJKJT-KCXAZCMYSA-N 2 1 290.407 2.449 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC2(C)C)CC1 ZINC000486953596 290323190 /nfs/dbraw/zinc/32/31/90/290323190.db2.gz FSMTVVNFINHFQQ-GXTWGEPZSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H]1CCSC1 ZINC000487269704 290338926 /nfs/dbraw/zinc/33/89/26/290338926.db2.gz SVSJRYWZEGUXCC-WCQYABFASA-N 2 1 253.415 2.170 20 0 CEADMP COCC[N@@H+](CCCn1ccnc1)[C@H]1CCC[C@H]1C ZINC000487994499 290372610 /nfs/dbraw/zinc/37/26/10/290372610.db2.gz YIPJWMHUACZVHF-CABCVRRESA-N 2 1 265.401 2.410 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000180988367 290386793 /nfs/dbraw/zinc/38/67/93/290386793.db2.gz JARFWKPPUXFEAN-RDJZCZTQSA-N 2 1 295.471 2.289 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000488313305 290389187 /nfs/dbraw/zinc/38/91/87/290389187.db2.gz LQQJKZRDNRCWQI-WCXIOVBPSA-N 2 1 279.472 2.133 20 0 CEADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000334179777 294617063 /nfs/dbraw/zinc/61/70/63/294617063.db2.gz BKAWERWQKGVIRF-DZGCQCFKSA-N 2 1 276.428 2.130 20 0 CEADMP C[C@H]([NH2+]C[C@]1(C)COc2ccccc2O1)c1c[nH+]ccc1N ZINC000530206555 298048718 /nfs/dbraw/zinc/04/87/18/298048718.db2.gz ALTQRTSLQWJGOH-YVEFUNNKSA-N 2 1 299.374 2.375 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000532191639 298135092 /nfs/dbraw/zinc/13/50/92/298135092.db2.gz BRLPJAUWZKRQHC-JYJNAYRXSA-N 2 1 297.487 2.486 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000532191639 298135093 /nfs/dbraw/zinc/13/50/93/298135093.db2.gz BRLPJAUWZKRQHC-JYJNAYRXSA-N 2 1 297.487 2.486 20 0 CEADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)c2cccn2C)CC1 ZINC000533408907 298163991 /nfs/dbraw/zinc/16/39/91/298163991.db2.gz LLACVXSIVKUDHH-UHFFFAOYSA-N 2 1 291.439 2.260 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)c2cccn2C)CC1 ZINC000533408907 298163994 /nfs/dbraw/zinc/16/39/94/298163994.db2.gz LLACVXSIVKUDHH-UHFFFAOYSA-N 2 1 291.439 2.260 20 0 CEADMP COC(=O)CC1([NH2+]CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC000534315531 298172985 /nfs/dbraw/zinc/17/29/85/298172985.db2.gz SELUBEVYJAEIJC-CQSZACIVSA-N 2 1 282.428 2.326 20 0 CEADMP C[NH+](C)C1CCC([NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC000560522784 298653670 /nfs/dbraw/zinc/65/36/70/298653670.db2.gz HJLXCPWBTDMSJI-UHFFFAOYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000564085318 298817064 /nfs/dbraw/zinc/81/70/64/298817064.db2.gz KWSQHHXCZHVFNK-RBSFLKMASA-N 2 1 295.471 2.286 20 0 CEADMP C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cc1 ZINC000566561858 299003208 /nfs/dbraw/zinc/00/32/08/299003208.db2.gz TXSAUSTVMSRYBW-BPLDGKMQSA-N 2 1 262.372 2.471 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C)n1 ZINC000566678554 299014687 /nfs/dbraw/zinc/01/46/87/299014687.db2.gz GCPOXIJPVPGYBT-KRWDZBQOSA-N 2 1 289.423 2.283 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C)n1 ZINC000566678554 299014689 /nfs/dbraw/zinc/01/46/89/299014689.db2.gz GCPOXIJPVPGYBT-KRWDZBQOSA-N 2 1 289.423 2.283 20 0 CEADMP Cc1cccc(CC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000566912988 299028898 /nfs/dbraw/zinc/02/88/98/299028898.db2.gz YEMCJQONRCRERU-MRXNPFEDSA-N 2 1 261.413 2.349 20 0 CEADMP Cc1cccc(CC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000566912988 299028901 /nfs/dbraw/zinc/02/89/01/299028901.db2.gz YEMCJQONRCRERU-MRXNPFEDSA-N 2 1 261.413 2.349 20 0 CEADMP O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000567368017 299058533 /nfs/dbraw/zinc/05/85/33/299058533.db2.gz JKTHLONJXAKDEI-QMCVQRASSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000567368017 299058536 /nfs/dbraw/zinc/05/85/36/299058536.db2.gz JKTHLONJXAKDEI-QMCVQRASSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000567368017 299058539 /nfs/dbraw/zinc/05/85/39/299058539.db2.gz JKTHLONJXAKDEI-QMCVQRASSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000567368017 299058540 /nfs/dbraw/zinc/05/85/40/299058540.db2.gz JKTHLONJXAKDEI-QMCVQRASSA-N 2 1 278.440 2.239 20 0 CEADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H](c2ccccc2)CO1 ZINC000246305247 300252523 /nfs/dbraw/zinc/25/25/23/300252523.db2.gz OHKLOKCPGLHUDA-WMLDXEAASA-N 2 1 274.408 2.448 20 0 CEADMP C[C@H]1C[C@@H](C(=O)N(C)C(C)(C)C[NH+]2CCCC2)CC[N@H+]1C ZINC000416332915 300395725 /nfs/dbraw/zinc/39/57/25/300395725.db2.gz JGTDEIRLFPUURR-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCc2c[nH+]cn2C)C1(C)C ZINC000516580501 313092023 /nfs/dbraw/zinc/09/20/23/313092023.db2.gz JKSVRDGNRFWKIB-MRVWCRGKSA-N 2 1 265.401 2.002 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000517172503 313104851 /nfs/dbraw/zinc/10/48/51/313104851.db2.gz XLSMMGJVPRTMEB-RBSFLKMASA-N 2 1 277.412 2.146 20 0 CEADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000519827587 313120536 /nfs/dbraw/zinc/12/05/36/313120536.db2.gz ZEPIXLRUUHWFSJ-WMZOPIPTSA-N 2 1 290.451 2.443 20 0 CEADMP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000519827587 313120540 /nfs/dbraw/zinc/12/05/40/313120540.db2.gz ZEPIXLRUUHWFSJ-WMZOPIPTSA-N 2 1 290.451 2.443 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccn1 ZINC000527536437 313181430 /nfs/dbraw/zinc/18/14/30/313181430.db2.gz YJPDWOKSUYYNHP-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccn1 ZINC000527536437 313181433 /nfs/dbraw/zinc/18/14/33/313181433.db2.gz YJPDWOKSUYYNHP-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP CC(C)Cc1ccccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000530234324 313287342 /nfs/dbraw/zinc/28/73/42/313287342.db2.gz AUUQTXDJLKCNPJ-GOSISDBHSA-N 2 1 290.451 2.431 20 0 CEADMP COc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1OC ZINC000532475037 313349290 /nfs/dbraw/zinc/34/92/90/313349290.db2.gz SZALGHLKCZNJAA-ZFWWWQNUSA-N 2 1 292.423 2.319 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000567870514 313913445 /nfs/dbraw/zinc/91/34/45/313913445.db2.gz FRNOKFDALGKWET-WDEREUQCSA-N 2 1 276.409 2.421 20 0 CEADMP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)ccc1C[NH+](C)C ZINC000571579091 314097356 /nfs/dbraw/zinc/09/73/56/314097356.db2.gz BAWRSQXXWMESHE-CYBMUJFWSA-N 2 1 289.423 2.337 20 0 CEADMP CCC[C@H](C)[C@@H](CO)[NH2+]CCCCn1cc[nH+]c1C ZINC000574210270 314196935 /nfs/dbraw/zinc/19/69/35/314196935.db2.gz QTRLWNQDDVOGLV-DZGCQCFKSA-N 2 1 267.417 2.358 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000575174301 314211393 /nfs/dbraw/zinc/21/13/93/314211393.db2.gz YIQZLYHPKDLYMZ-LLVKDONJSA-N 2 1 286.370 2.178 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000575174301 314211395 /nfs/dbraw/zinc/21/13/95/314211395.db2.gz YIQZLYHPKDLYMZ-LLVKDONJSA-N 2 1 286.370 2.178 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000575248475 314215979 /nfs/dbraw/zinc/21/59/79/314215979.db2.gz HWXACMAQMXZCIX-OAHLLOKOSA-N 2 1 293.798 2.038 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000576049608 314236470 /nfs/dbraw/zinc/23/64/70/314236470.db2.gz GAHALROVCGXYLL-CVEARBPZSA-N 2 1 282.403 2.425 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000576049608 314236471 /nfs/dbraw/zinc/23/64/71/314236471.db2.gz GAHALROVCGXYLL-CVEARBPZSA-N 2 1 282.403 2.425 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CC2(O)CCCC2)C1 ZINC000576270742 314258623 /nfs/dbraw/zinc/25/86/23/314258623.db2.gz BQOYGYMLAPCJHL-OAHLLOKOSA-N 2 1 268.445 2.393 20 0 CEADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000576487950 314281383 /nfs/dbraw/zinc/28/13/83/314281383.db2.gz GLKHDOZICMXSMH-XNJGSVPQSA-N 2 1 286.423 2.472 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C3CC3)s2)CC[NH2+]1 ZINC000576959580 314328551 /nfs/dbraw/zinc/32/85/51/314328551.db2.gz LNWFFARRMAKIFC-KOLCDFICSA-N 2 1 251.399 2.251 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000577059544 314337275 /nfs/dbraw/zinc/33/72/75/314337275.db2.gz WVAXERRUOWUCFD-ARFHVFGLSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000577059544 314337278 /nfs/dbraw/zinc/33/72/78/314337278.db2.gz WVAXERRUOWUCFD-ARFHVFGLSA-N 2 1 266.429 2.362 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCCc2c[nH+]cn2C)C12CCC2 ZINC000579124275 314552417 /nfs/dbraw/zinc/55/24/17/314552417.db2.gz HZNXMEPKOLZVIN-HUUCEWRRSA-N 2 1 277.412 2.290 20 0 CEADMP C[C@@H]1C[C@H]1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000580271004 321926944 /nfs/dbraw/zinc/92/69/44/321926944.db2.gz CLWIXTZFMFXNGZ-QLFBSQMISA-N 2 1 293.480 2.282 20 0 CEADMP C[C@H](O)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000581300958 322384715 /nfs/dbraw/zinc/38/47/15/322384715.db2.gz NKYHQWLBLUVGIP-HOTGVXAUSA-N 2 1 276.424 2.259 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c(F)c1 ZINC000581314328 322386122 /nfs/dbraw/zinc/38/61/22/322386122.db2.gz MWTWNDQQRUBINO-CQSZACIVSA-N 2 1 266.360 2.312 20 0 CEADMP C[NH+](C[C@@H]1CCCC[C@@H]1O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394427885 329119585 /nfs/dbraw/zinc/11/95/85/329119585.db2.gz UTMQTBVESXFHFM-DRFQVBMSSA-N 2 1 266.429 2.095 20 0 CEADMP C[N@@H+](C[C@@H]1CCCC[C@@H]1O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394427885 329119583 /nfs/dbraw/zinc/11/95/83/329119583.db2.gz UTMQTBVESXFHFM-DRFQVBMSSA-N 2 1 266.429 2.095 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CCc1cc2ccccc2o1)C1CC1 ZINC000573677042 500773992 /nfs/dbraw/zinc/77/39/92/500773992.db2.gz QFMIHMVEFJMKCX-OAHLLOKOSA-N 2 1 288.391 2.020 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CCc1cc2ccccc2o1)C1CC1 ZINC000573677042 500773996 /nfs/dbraw/zinc/77/39/96/500773996.db2.gz QFMIHMVEFJMKCX-OAHLLOKOSA-N 2 1 288.391 2.020 20 0 CEADMP COc1ccccc1/C=C\C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357087025 533959690 /nfs/dbraw/zinc/95/96/90/533959690.db2.gz SDKRCKCMIQJXSU-CEFRJJNVSA-N 2 1 272.392 2.250 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357087025 533959694 /nfs/dbraw/zinc/95/96/94/533959694.db2.gz SDKRCKCMIQJXSU-CEFRJJNVSA-N 2 1 272.392 2.250 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1cccc(Br)c1 ZINC000258909557 519301481 /nfs/dbraw/zinc/30/14/81/519301481.db2.gz SSDHPDUMRGZCFT-UHFFFAOYSA-N 2 1 257.175 2.276 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000151140804 519862152 /nfs/dbraw/zinc/86/21/52/519862152.db2.gz KREYNUWQVNAQTB-DZGCQCFKSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000151140804 519862153 /nfs/dbraw/zinc/86/21/53/519862153.db2.gz KREYNUWQVNAQTB-DZGCQCFKSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[C@@H](C)C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367719588 520630614 /nfs/dbraw/zinc/63/06/14/520630614.db2.gz IOLKHALFCJLSCX-SJORKVTESA-N 2 1 281.488 2.382 20 0 CEADMP CC[N@@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000050953279 521002459 /nfs/dbraw/zinc/00/24/59/521002459.db2.gz WAJLZLUOVVOFQN-OAHLLOKOSA-N 2 1 254.418 2.267 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366536023 522650910 /nfs/dbraw/zinc/65/09/10/522650910.db2.gz QBIUSNVMTCTBCD-QGZVFWFLSA-N 2 1 290.455 2.073 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366536023 522650922 /nfs/dbraw/zinc/65/09/22/522650922.db2.gz QBIUSNVMTCTBCD-QGZVFWFLSA-N 2 1 290.455 2.073 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366536023 522650930 /nfs/dbraw/zinc/65/09/30/522650930.db2.gz QBIUSNVMTCTBCD-QGZVFWFLSA-N 2 1 290.455 2.073 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366536023 522650939 /nfs/dbraw/zinc/65/09/39/522650939.db2.gz QBIUSNVMTCTBCD-QGZVFWFLSA-N 2 1 290.455 2.073 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000049556634 525729160 /nfs/dbraw/zinc/72/91/60/525729160.db2.gz VTLAEKVRERZBAS-GDBMZVCRSA-N 2 1 262.397 2.102 20 0 CEADMP c1cc([C@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)ncn1 ZINC000363459134 526436506 /nfs/dbraw/zinc/43/65/06/526436506.db2.gz HLYXNPSSYKCPTE-HNNXBMFYSA-N 2 1 274.412 2.142 20 0 CEADMP c1cc([C@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)ncn1 ZINC000363459134 526436512 /nfs/dbraw/zinc/43/65/12/526436512.db2.gz HLYXNPSSYKCPTE-HNNXBMFYSA-N 2 1 274.412 2.142 20 0 CEADMP Cc1nc([C@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)no1 ZINC000363467839 527077157 /nfs/dbraw/zinc/07/71/57/527077157.db2.gz KIHUSVYRPUGMKA-KBPBESRZSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc([C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)no1 ZINC000363467839 527077163 /nfs/dbraw/zinc/07/71/63/527077163.db2.gz KIHUSVYRPUGMKA-KBPBESRZSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)no1 ZINC000363467839 527077164 /nfs/dbraw/zinc/07/71/64/527077164.db2.gz KIHUSVYRPUGMKA-KBPBESRZSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)no1 ZINC000363467839 527077168 /nfs/dbraw/zinc/07/71/68/527077168.db2.gz KIHUSVYRPUGMKA-KBPBESRZSA-N 2 1 278.400 2.042 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC000174780668 527830592 /nfs/dbraw/zinc/83/05/92/527830592.db2.gz ONXUXEKDNRSUKQ-CVEARBPZSA-N 2 1 267.461 2.134 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC000174953878 527836621 /nfs/dbraw/zinc/83/66/21/527836621.db2.gz NNHALTFXWQUBOA-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000174953878 527836627 /nfs/dbraw/zinc/83/66/27/527836627.db2.gz NNHALTFXWQUBOA-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000174953878 527836636 /nfs/dbraw/zinc/83/66/36/527836636.db2.gz NNHALTFXWQUBOA-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOCC2CC2)C1 ZINC000174961932 527849854 /nfs/dbraw/zinc/84/98/54/527849854.db2.gz SYTUXACHOTUZJQ-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOCC2CC2)C1 ZINC000174961932 527849857 /nfs/dbraw/zinc/84/98/57/527849857.db2.gz SYTUXACHOTUZJQ-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000174961932 527849858 /nfs/dbraw/zinc/84/98/58/527849858.db2.gz SYTUXACHOTUZJQ-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC000174961932 527849861 /nfs/dbraw/zinc/84/98/61/527849861.db2.gz SYTUXACHOTUZJQ-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC1([NH3+])CCCCC1 ZINC000418198095 527984606 /nfs/dbraw/zinc/98/46/06/527984606.db2.gz HEBOPCIYRCUHMR-CQSZACIVSA-N 2 1 298.475 2.068 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC000357334738 528149263 /nfs/dbraw/zinc/14/92/63/528149263.db2.gz NWNMOHVHWVFUCW-INIZCTEOSA-N 2 1 291.439 2.323 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCOC(C)C)C1 ZINC000174209812 528185074 /nfs/dbraw/zinc/18/50/74/528185074.db2.gz UXPKSEKOYJWHBD-OAHLLOKOSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCC2(O)CCC2)CC1 ZINC000411115564 528192998 /nfs/dbraw/zinc/19/29/98/528192998.db2.gz CZHYDZRYJXLTKK-UHFFFAOYSA-N 2 1 254.418 2.098 20 0 CEADMP CCC[NH+]1CCC([N@H+](C)CCc2cncs2)CC1 ZINC000411310119 528193417 /nfs/dbraw/zinc/19/34/17/528193417.db2.gz TYHJITONURUWSU-UHFFFAOYSA-N 2 1 267.442 2.492 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCc2cncs2)CC1 ZINC000411310119 528193421 /nfs/dbraw/zinc/19/34/21/528193421.db2.gz TYHJITONURUWSU-UHFFFAOYSA-N 2 1 267.442 2.492 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)c2C1 ZINC000262650640 535000745 /nfs/dbraw/zinc/00/07/45/535000745.db2.gz QQSRJDVAFGNRHY-JSGCOSHPSA-N 2 1 287.407 2.478 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)c2C1 ZINC000262650640 535000747 /nfs/dbraw/zinc/00/07/47/535000747.db2.gz QQSRJDVAFGNRHY-JSGCOSHPSA-N 2 1 287.407 2.478 20 0 CEADMP C([NH2+][C@@H]1CC[C@@H]1C1CC1)C1([NH+]2CCCC2)CCOCC1 ZINC000348110485 538851875 /nfs/dbraw/zinc/85/18/75/538851875.db2.gz MUAHNWJREHKVTC-HZPDHXFCSA-N 2 1 278.440 2.410 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000729347219 574485527 /nfs/dbraw/zinc/48/55/27/574485527.db2.gz KSNYPEUQFKJHTL-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000729625891 574490007 /nfs/dbraw/zinc/49/00/07/574490007.db2.gz QTCVLGDMAALGPX-OAHLLOKOSA-N 2 1 294.443 2.064 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH+]1CCC(C)CC1 ZINC000731869345 574604970 /nfs/dbraw/zinc/60/49/70/574604970.db2.gz FLVHOIVCRMJOFP-UHFFFAOYSA-N 2 1 297.487 2.347 20 0 CEADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2ccccc2)C1 ZINC000746667271 575162462 /nfs/dbraw/zinc/16/24/62/575162462.db2.gz GFDJPCQPCKLRHA-AEFFLSMTSA-N 2 1 288.435 2.384 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2ccccc2)C1 ZINC000746667271 575162463 /nfs/dbraw/zinc/16/24/63/575162463.db2.gz GFDJPCQPCKLRHA-AEFFLSMTSA-N 2 1 288.435 2.384 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000746667271 575162464 /nfs/dbraw/zinc/16/24/64/575162464.db2.gz GFDJPCQPCKLRHA-AEFFLSMTSA-N 2 1 288.435 2.384 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000746667271 575162465 /nfs/dbraw/zinc/16/24/65/575162465.db2.gz GFDJPCQPCKLRHA-AEFFLSMTSA-N 2 1 288.435 2.384 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)CC1CCC2(CC1)OCCO2 ZINC000753725750 575337341 /nfs/dbraw/zinc/33/73/41/575337341.db2.gz XBFGBZNKVCLDOK-UHFFFAOYSA-N 2 1 296.455 2.193 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775843 614335933 /nfs/dbraw/zinc/33/59/33/614335933.db2.gz SOLBMCQBSORUBM-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000948775843 614335935 /nfs/dbraw/zinc/33/59/35/614335935.db2.gz SOLBMCQBSORUBM-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000948775843 614335938 /nfs/dbraw/zinc/33/59/38/614335938.db2.gz SOLBMCQBSORUBM-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC000972156555 614649865 /nfs/dbraw/zinc/64/98/65/614649865.db2.gz NWFBJFZARASEME-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000972156555 614649867 /nfs/dbraw/zinc/64/98/67/614649867.db2.gz NWFBJFZARASEME-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000972156555 614649869 /nfs/dbraw/zinc/64/98/69/614649869.db2.gz NWFBJFZARASEME-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948766753 614673176 /nfs/dbraw/zinc/67/31/76/614673176.db2.gz NLQBHEHMLIPUTM-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000948766753 614673178 /nfs/dbraw/zinc/67/31/78/614673178.db2.gz NLQBHEHMLIPUTM-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000948766753 614673180 /nfs/dbraw/zinc/67/31/80/614673180.db2.gz NLQBHEHMLIPUTM-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941034014 614748054 /nfs/dbraw/zinc/74/80/54/614748054.db2.gz ZQRQBJBIUQCUKT-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941034014 614748056 /nfs/dbraw/zinc/74/80/56/614748056.db2.gz ZQRQBJBIUQCUKT-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941034014 614748057 /nfs/dbraw/zinc/74/80/57/614748057.db2.gz ZQRQBJBIUQCUKT-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977660686 614809674 /nfs/dbraw/zinc/80/96/74/614809674.db2.gz ZUKSSYDIKSTHRJ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000977660686 614809677 /nfs/dbraw/zinc/80/96/77/614809677.db2.gz ZUKSSYDIKSTHRJ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000977660686 614809681 /nfs/dbraw/zinc/80/96/81/614809681.db2.gz ZUKSSYDIKSTHRJ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000963908820 614882023 /nfs/dbraw/zinc/88/20/23/614882023.db2.gz WLDUJGXBZIXPDK-FHERZECASA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC000971829885 614887474 /nfs/dbraw/zinc/88/74/74/614887474.db2.gz VKEMTUKDIMLWHZ-OAHLLOKOSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000971829885 614887476 /nfs/dbraw/zinc/88/74/76/614887476.db2.gz VKEMTUKDIMLWHZ-OAHLLOKOSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000971829885 614887478 /nfs/dbraw/zinc/88/74/78/614887478.db2.gz VKEMTUKDIMLWHZ-OAHLLOKOSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000969144383 614980051 /nfs/dbraw/zinc/98/00/51/614980051.db2.gz KTBCMWDCKNCVQJ-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000969144383 614980053 /nfs/dbraw/zinc/98/00/53/614980053.db2.gz KTBCMWDCKNCVQJ-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969144383 614980054 /nfs/dbraw/zinc/98/00/54/614980054.db2.gz KTBCMWDCKNCVQJ-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC)C1 ZINC000972704149 614980621 /nfs/dbraw/zinc/98/06/21/614980621.db2.gz OBTBWLUAQVSRDY-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC000972704149 614980622 /nfs/dbraw/zinc/98/06/22/614980622.db2.gz OBTBWLUAQVSRDY-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC000972704149 614980623 /nfs/dbraw/zinc/98/06/23/614980623.db2.gz OBTBWLUAQVSRDY-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968857135 615109182 /nfs/dbraw/zinc/10/91/82/615109182.db2.gz TZEHSCGZDFUPNY-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000968857135 615109184 /nfs/dbraw/zinc/10/91/84/615109184.db2.gz TZEHSCGZDFUPNY-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000968857135 615109186 /nfs/dbraw/zinc/10/91/86/615109186.db2.gz TZEHSCGZDFUPNY-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H](C(=O)N1CC[NH+](CCCC2CCC2)CC1)[NH+](C)C ZINC000950555770 615371245 /nfs/dbraw/zinc/37/12/45/615371245.db2.gz QKFRCSMPGCDWGP-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP C[N@H+]1CCC[C@H](CNc2cc(N)[nH+]cc2Cl)C1 ZINC000892421317 625338802 /nfs/dbraw/zinc/33/88/02/625338802.db2.gz JGSKVPOZIFDJBN-SECBINFHSA-N 2 1 254.765 2.071 20 0 CEADMP CC(=O)OC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000892446918 625476075 /nfs/dbraw/zinc/47/60/75/625476075.db2.gz NPNGVJIDXXNGIG-AWEZNQCLSA-N 2 1 290.407 2.192 20 0 CEADMP CC(=O)OC[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000892462922 625529399 /nfs/dbraw/zinc/52/93/99/625529399.db2.gz WQHWTESESVTNMF-CQSZACIVSA-N 2 1 278.396 2.050 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001024510009 625590444 /nfs/dbraw/zinc/59/04/44/625590444.db2.gz BHNFJKIQYLUMAH-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024510009 625590453 /nfs/dbraw/zinc/59/04/53/625590453.db2.gz BHNFJKIQYLUMAH-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024510009 625590458 /nfs/dbraw/zinc/59/04/58/625590458.db2.gz BHNFJKIQYLUMAH-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001024510009 625590463 /nfs/dbraw/zinc/59/04/63/625590463.db2.gz BHNFJKIQYLUMAH-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001024510009 625590473 /nfs/dbraw/zinc/59/04/73/625590473.db2.gz BHNFJKIQYLUMAH-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000235469816 625598325 /nfs/dbraw/zinc/59/83/25/625598325.db2.gz AONFNYKRJFZHHT-MGPQQGTHSA-N 2 1 297.443 2.116 20 0 CEADMP C[NH+](C)CCOC1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000778216764 622897547 /nfs/dbraw/zinc/89/75/47/622897547.db2.gz XYPDWRBRNSGEAI-UHFFFAOYSA-N 2 1 297.830 2.278 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OC(F)F ZINC000050245212 623372817 /nfs/dbraw/zinc/37/28/17/623372817.db2.gz QRVPQVWZUUBXAL-NSHDSACASA-N 2 1 286.322 2.077 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1OC(F)F ZINC000050245212 623372821 /nfs/dbraw/zinc/37/28/21/623372821.db2.gz QRVPQVWZUUBXAL-NSHDSACASA-N 2 1 286.322 2.077 20 0 CEADMP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001022201976 623834145 /nfs/dbraw/zinc/83/41/45/623834145.db2.gz OZKBYYCIDMCNOV-LZWOXQAQSA-N 2 1 293.455 2.040 20 0 CEADMP C[N@H+]1C[C@@H]2CN([C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000933732421 623981257 /nfs/dbraw/zinc/98/12/57/623981257.db2.gz QSQMVCPMDDCOGJ-QRVBRYPASA-N 2 1 299.462 2.144 20 0 CEADMP CN1C[C@@H]2C[N@@H+]([C@@H]3CCN(Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000933732421 623981264 /nfs/dbraw/zinc/98/12/64/623981264.db2.gz QSQMVCPMDDCOGJ-QRVBRYPASA-N 2 1 299.462 2.144 20 0 CEADMP CN1C[C@@H]2C[N@H+]([C@@H]3CCN(Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000933732421 623981269 /nfs/dbraw/zinc/98/12/69/623981269.db2.gz QSQMVCPMDDCOGJ-QRVBRYPASA-N 2 1 299.462 2.144 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000933732421 623981270 /nfs/dbraw/zinc/98/12/70/623981270.db2.gz QSQMVCPMDDCOGJ-QRVBRYPASA-N 2 1 299.462 2.144 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000933732421 623981273 /nfs/dbraw/zinc/98/12/73/623981273.db2.gz QSQMVCPMDDCOGJ-QRVBRYPASA-N 2 1 299.462 2.144 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000933732421 623981276 /nfs/dbraw/zinc/98/12/76/623981276.db2.gz QSQMVCPMDDCOGJ-QRVBRYPASA-N 2 1 299.462 2.144 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000933732421 623981278 /nfs/dbraw/zinc/98/12/78/623981278.db2.gz QSQMVCPMDDCOGJ-QRVBRYPASA-N 2 1 299.462 2.144 20 0 CEADMP CCC[N@H+]1CC[C@H](CNc2cc(N)[nH+]cc2Cl)C1 ZINC000891968007 624206305 /nfs/dbraw/zinc/20/63/05/624206305.db2.gz SOIFAFJSPLCWLR-SNVBAGLBSA-N 2 1 268.792 2.461 20 0 CEADMP c1ccc2c(c1)CC[C@H]2C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000892059048 624284359 /nfs/dbraw/zinc/28/43/59/624284359.db2.gz SMAMFBUFOKWERQ-YQQAZPJKSA-N 2 1 256.393 2.400 20 0 CEADMP c1ccc2c(c1)CC[C@H]2C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000892059048 624284361 /nfs/dbraw/zinc/28/43/61/624284361.db2.gz SMAMFBUFOKWERQ-YQQAZPJKSA-N 2 1 256.393 2.400 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161351646 624602664 /nfs/dbraw/zinc/60/26/64/624602664.db2.gz MGTJIAKNUFZMHR-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161351646 624602668 /nfs/dbraw/zinc/60/26/68/624602668.db2.gz MGTJIAKNUFZMHR-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP CCO[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926550953 625035806 /nfs/dbraw/zinc/03/58/06/625035806.db2.gz VFHAWTXADAEFOQ-SLUKUZTOSA-N 2 1 296.455 2.175 20 0 CEADMP CCn1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)n1 ZINC000892509674 625740103 /nfs/dbraw/zinc/74/01/03/625740103.db2.gz ALASTEZKFCVNBY-LBPRGKRZSA-N 2 1 275.400 2.142 20 0 CEADMP CC[C@@H](C[NH2+]C1CCC(C)(O)CC1)[NH+]1CCCC1 ZINC000892554227 625964405 /nfs/dbraw/zinc/96/44/05/625964405.db2.gz BRBKWLYFWRZMKX-SLTAFYQDSA-N 2 1 254.418 2.144 20 0 CEADMP C[C@H]([NH2+]Cc1cc[nH]n1)c1cccc(C[NH+](C)C)c1 ZINC000820809684 634534938 /nfs/dbraw/zinc/53/49/38/634534938.db2.gz GKRSWUGJFFRMAK-LBPRGKRZSA-N 2 1 258.369 2.322 20 0 CEADMP CC[C@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820811106 634536766 /nfs/dbraw/zinc/53/67/66/634536766.db2.gz KZKCJPOJNGGQPQ-IKKMQULASA-N 2 1 252.402 2.159 20 0 CEADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000926755761 627287917 /nfs/dbraw/zinc/28/79/17/627287917.db2.gz ZPIKOBHLXDHMQT-HRCADAONSA-N 2 1 268.445 2.369 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+]C2CCN(C)CC2)CC1 ZINC000924576631 627289749 /nfs/dbraw/zinc/28/97/49/627289749.db2.gz VDDDXVXDYAVKID-UHFFFAOYSA-N 2 1 267.461 2.181 20 0 CEADMP CC(=O)OC[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000892584404 627290537 /nfs/dbraw/zinc/29/05/37/627290537.db2.gz KAGSNEYQVBTHBL-ZIAGYGMSSA-N 2 1 270.417 2.040 20 0 CEADMP CC(=O)OC[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000892589761 627294241 /nfs/dbraw/zinc/29/42/41/627294241.db2.gz PFDOSOXLGPVNPG-ZNMIVQPWSA-N 2 1 284.444 2.286 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000161462835 627305095 /nfs/dbraw/zinc/30/50/95/627305095.db2.gz PPSUJWWTHGEADJ-HNNXBMFYSA-N 2 1 296.455 2.382 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000892620467 627318771 /nfs/dbraw/zinc/31/87/71/627318771.db2.gz AKEUWDIFDDZJTB-LBPRGKRZSA-N 2 1 265.376 2.351 20 0 CEADMP CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001025105294 627334520 /nfs/dbraw/zinc/33/45/20/627334520.db2.gz SHJLYJJAAZDMSP-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@]2(C)Br)C1 ZINC000892668620 627375862 /nfs/dbraw/zinc/37/58/62/627375862.db2.gz OUPUWZSJLUVRHR-UPJWGTAASA-N 2 1 289.261 2.481 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000892669569 627379330 /nfs/dbraw/zinc/37/93/30/627379330.db2.gz URJSYTTZFQVZBU-BFZKSOEOSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892669569 627379333 /nfs/dbraw/zinc/37/93/33/627379333.db2.gz URJSYTTZFQVZBU-BFZKSOEOSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892669569 627379335 /nfs/dbraw/zinc/37/93/35/627379335.db2.gz URJSYTTZFQVZBU-BFZKSOEOSA-N 2 1 279.472 2.322 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902333947 634595042 /nfs/dbraw/zinc/59/50/42/634595042.db2.gz OBHOWYFDRKCIIW-CQSZACIVSA-N 2 1 255.450 2.086 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000892942906 627872457 /nfs/dbraw/zinc/87/24/57/627872457.db2.gz BEGZOVZSKYDIRF-QQFBHYJXSA-N 2 1 268.445 2.390 20 0 CEADMP COc1cccc(C[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000019905680 627934154 /nfs/dbraw/zinc/93/41/54/627934154.db2.gz BEZIHNDUSPEIKG-UHFFFAOYSA-N 2 1 250.386 2.373 20 0 CEADMP Cc1cc(N)nc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000893008995 627940088 /nfs/dbraw/zinc/94/00/88/627940088.db2.gz NNVZIIFXLGNMTR-UKRRQHHQSA-N 2 1 283.379 2.225 20 0 CEADMP Cc1cc(N)nc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[nH+]1 ZINC000893008995 627940091 /nfs/dbraw/zinc/94/00/91/627940091.db2.gz NNVZIIFXLGNMTR-UKRRQHHQSA-N 2 1 283.379 2.225 20 0 CEADMP Cc1cc(N)nc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[nH+]1 ZINC000893008995 627940095 /nfs/dbraw/zinc/94/00/95/627940095.db2.gz NNVZIIFXLGNMTR-UKRRQHHQSA-N 2 1 283.379 2.225 20 0 CEADMP CC(C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001020239973 627948385 /nfs/dbraw/zinc/94/83/85/627948385.db2.gz PIVGXPSKZMGPNH-DZKIICNBSA-N 2 1 293.455 2.039 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc(F)n2)C1 ZINC000902360065 634616263 /nfs/dbraw/zinc/61/62/63/634616263.db2.gz DUGLBDXKIKIXTD-LLVKDONJSA-N 2 1 251.349 2.089 20 0 CEADMP COc1ccc2[nH+]ccc(NCC3=CC[N@@H+](C)CC3)c2c1 ZINC000893099682 628001686 /nfs/dbraw/zinc/00/16/86/628001686.db2.gz QCIMTDLKKGMIMV-UHFFFAOYSA-N 2 1 283.375 2.339 20 0 CEADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902407139 634622798 /nfs/dbraw/zinc/62/27/98/634622798.db2.gz PRHAYIZBTGDVMM-KCPJHIHWSA-N 2 1 260.381 2.268 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925509411 628030475 /nfs/dbraw/zinc/03/04/75/628030475.db2.gz NACWLGUUWSILAG-ZACQAIPSSA-N 2 1 279.472 2.229 20 0 CEADMP CCN1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925509411 628030477 /nfs/dbraw/zinc/03/04/77/628030477.db2.gz NACWLGUUWSILAG-ZACQAIPSSA-N 2 1 279.472 2.229 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902383821 634628074 /nfs/dbraw/zinc/62/80/74/634628074.db2.gz FMBNCUWHJCTIBS-GJZGRUSLSA-N 2 1 267.461 2.229 20 0 CEADMP [NH3+]CCCC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000902389847 634631035 /nfs/dbraw/zinc/63/10/35/634631035.db2.gz BBHPRHATQKROMY-MRXNPFEDSA-N 3 1 297.393 2.477 20 0 CEADMP Cc1ccc(OCCC[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000925550986 628199331 /nfs/dbraw/zinc/19/93/31/628199331.db2.gz OTCYWWSRTIFUBD-HOCLYGCPSA-N 2 1 262.397 2.494 20 0 CEADMP CC[N@@H+](CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C(C)C ZINC000925556550 628219879 /nfs/dbraw/zinc/21/98/79/628219879.db2.gz KBNGMPZKLCMVLO-QLFBSQMISA-N 2 1 267.461 2.083 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CC2)c2ccccc21 ZINC000902404161 634640304 /nfs/dbraw/zinc/64/03/04/634640304.db2.gz COEOSSZXGGLOJC-CABCVRRESA-N 2 1 288.391 2.249 20 0 CEADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925576741 628252761 /nfs/dbraw/zinc/25/27/61/628252761.db2.gz YKOJYEMPDVQCSP-KBMXLJTQSA-N 2 1 274.408 2.373 20 0 CEADMP CC(C)CC[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925621225 628312342 /nfs/dbraw/zinc/31/23/42/628312342.db2.gz CXZBWCIYDANGPC-HUUCEWRRSA-N 2 1 268.445 2.438 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)[C@H]1c1ccccc1 ZINC000925631064 628325979 /nfs/dbraw/zinc/32/59/79/628325979.db2.gz UAMIUZWGOQNICH-YLFCFFPRSA-N 2 1 285.435 2.291 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000925664076 628378942 /nfs/dbraw/zinc/37/89/42/628378942.db2.gz YNYHUQKKXOZCQV-DOMZBBRYSA-N 2 1 257.381 2.441 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2cccnc2)C1 ZINC000925691491 628508731 /nfs/dbraw/zinc/50/87/31/628508731.db2.gz NGDQEVJTSMWSQJ-UKMLZYKCSA-N 2 1 275.396 2.032 20 0 CEADMP C1CC2(C1)C[C@@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CC[NH2+]2 ZINC000925706615 628552940 /nfs/dbraw/zinc/55/29/40/628552940.db2.gz NPBYJPSGTYXYHR-YESZJQIVSA-N 3 1 291.483 2.419 20 0 CEADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925714069 628567876 /nfs/dbraw/zinc/56/78/76/628567876.db2.gz NMPCNMUNOCMEOJ-QEJZJMRPSA-N 2 1 288.391 2.378 20 0 CEADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000925715594 628576082 /nfs/dbraw/zinc/57/60/82/628576082.db2.gz FFGBGNNWUQAOLI-ZGOKBZQCSA-N 3 1 291.483 2.214 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000925721559 628589170 /nfs/dbraw/zinc/58/91/70/628589170.db2.gz FDBGQPCGVWTQGJ-HJWJTTGWSA-N 2 1 274.408 2.494 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902447631 634670503 /nfs/dbraw/zinc/67/05/03/634670503.db2.gz APQDEOFGGPPMBH-RISCZKNCSA-N 2 1 250.361 2.344 20 0 CEADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902447826 634671431 /nfs/dbraw/zinc/67/14/31/634671431.db2.gz VWGJCBINZOMCRR-LRDDRELGSA-N 2 1 290.407 2.324 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893486467 628648856 /nfs/dbraw/zinc/64/88/56/628648856.db2.gz AEFAZKSPRVKZAI-FMKPAKJESA-N 2 1 296.455 2.381 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](OC(F)F)C2)CC1 ZINC000893487401 628649484 /nfs/dbraw/zinc/64/94/84/628649484.db2.gz JFRBLAKWLDXDHX-LBPRGKRZSA-N 2 1 262.344 2.032 20 0 CEADMP CC1(C)CC[N@@H+](CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000902456216 634677598 /nfs/dbraw/zinc/67/75/98/634677598.db2.gz NSNWJHPICCAJDZ-BZUAXINKSA-N 2 1 279.472 2.229 20 0 CEADMP CC1(C)CCN(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000902456216 634677605 /nfs/dbraw/zinc/67/76/05/634677605.db2.gz NSNWJHPICCAJDZ-BZUAXINKSA-N 2 1 279.472 2.229 20 0 CEADMP CCC[N@H+](CC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000893577434 628755164 /nfs/dbraw/zinc/75/51/64/628755164.db2.gz ZIWPTDCWDGYTKT-UHFFFAOYSA-N 2 1 284.444 2.382 20 0 CEADMP CC(C)CCC[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000398966744 628767735 /nfs/dbraw/zinc/76/77/35/628767735.db2.gz RPGLCLILMFIIFH-AWEZNQCLSA-N 2 1 256.434 2.248 20 0 CEADMP C[N@@H+](CCc1ccccc1F)C[C@@H]1CCC[NH2+]C1 ZINC000259016832 628788334 /nfs/dbraw/zinc/78/83/34/628788334.db2.gz NNCXJFKWDQLPDJ-CYBMUJFWSA-N 2 1 250.361 2.300 20 0 CEADMP Cc1cncc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000925777803 628800532 /nfs/dbraw/zinc/80/05/32/628800532.db2.gz QPSAGRJNAIZIFE-AAEUAGOBSA-N 2 1 269.339 2.285 20 0 CEADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925781208 628807764 /nfs/dbraw/zinc/80/77/64/628807764.db2.gz ILPMIVTXJVAROZ-VXGBXAGGSA-N 2 1 269.339 2.285 20 0 CEADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925781419 628808374 /nfs/dbraw/zinc/80/83/74/628808374.db2.gz AAIYJIMDARJNEG-UEKVPHQBSA-N 2 1 268.351 2.483 20 0 CEADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000925785768 628824176 /nfs/dbraw/zinc/82/41/76/628824176.db2.gz QYWNUZBQVVFTPU-GUIRCDHDSA-N 2 1 292.423 2.393 20 0 CEADMP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(C)C ZINC000902466195 634684179 /nfs/dbraw/zinc/68/41/79/634684179.db2.gz JUCBUNCZMBHHOZ-XVIXHAIJSA-N 2 1 252.402 2.061 20 0 CEADMP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925826565 628913050 /nfs/dbraw/zinc/91/30/50/628913050.db2.gz IBWFQZGCFISKBI-OEAJRASXSA-N 2 1 260.381 2.104 20 0 CEADMP C[C@@H]([NH2+]CCc1nc2c(s1)CCC2)[C@H]1CCCC[NH2+]1 ZINC000925830719 628923893 /nfs/dbraw/zinc/92/38/93/628923893.db2.gz LFYITFWICXEVJM-VXGBXAGGSA-N 2 1 279.453 2.295 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(Cl)n3)C[C@@H]21 ZINC000230048637 628929380 /nfs/dbraw/zinc/92/93/80/628929380.db2.gz DTXNUECGXQUIQB-WCFLWFBJSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(Cl)n3)C[C@@H]21 ZINC000230048637 628929381 /nfs/dbraw/zinc/92/93/81/628929381.db2.gz DTXNUECGXQUIQB-WCFLWFBJSA-N 2 1 265.788 2.294 20 0 CEADMP CC[C@@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925843577 628946391 /nfs/dbraw/zinc/94/63/91/628946391.db2.gz FMFYNERGBHNEHX-HZPDHXFCSA-N 2 1 267.461 2.230 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]CCCCC[NH+]2CCNCC2)[C@H]1C ZINC000925846889 628950438 /nfs/dbraw/zinc/95/04/38/628950438.db2.gz YEPQFJKBBXRLRN-IKGGRYGDSA-N 2 1 281.488 2.476 20 0 CEADMP CCc1noc([C@@H]2CC[C@H]([NH2+][C@H]3CC[NH2+]C34CCC4)C2)n1 ZINC000925874399 628973253 /nfs/dbraw/zinc/97/32/53/628973253.db2.gz YZMOUDKYQNIWDV-AGIUHOORSA-N 2 1 290.411 2.142 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000925882793 628981826 /nfs/dbraw/zinc/98/18/26/628981826.db2.gz UPLVWJJMWHMJMU-LEUOFYLZSA-N 3 1 287.451 2.166 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)[C@@H]1CCCCN1 ZINC000925882793 628981827 /nfs/dbraw/zinc/98/18/27/628981827.db2.gz UPLVWJJMWHMJMU-LEUOFYLZSA-N 2 1 287.451 2.166 20 0 CEADMP CCc1onc(C)c1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000925889544 628985415 /nfs/dbraw/zinc/98/54/15/628985415.db2.gz KROLOXZTCQDNFP-CMPLNLGQSA-N 2 1 251.374 2.023 20 0 CEADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902483234 634700525 /nfs/dbraw/zinc/70/05/25/634700525.db2.gz PPRPFQJVRLPPAT-LSDHHAIUSA-N 2 1 264.417 2.030 20 0 CEADMP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C2CC2)n1 ZINC000894037242 629104534 /nfs/dbraw/zinc/10/45/34/629104534.db2.gz GGHBZUFTKRPREJ-OAHLLOKOSA-N 2 1 276.428 2.214 20 0 CEADMP Cn1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C2CC2)n1 ZINC000894037242 629104537 /nfs/dbraw/zinc/10/45/37/629104537.db2.gz GGHBZUFTKRPREJ-OAHLLOKOSA-N 2 1 276.428 2.214 20 0 CEADMP Cc1noc2ncc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3C)cc12 ZINC000894165676 629179158 /nfs/dbraw/zinc/17/91/58/629179158.db2.gz RBWKSCRPXDXFHM-NSHDSACASA-N 2 1 299.378 2.462 20 0 CEADMP Cc1noc2ncc(C[NH2+]CCC[N@@H+](C)C(C)C)cc12 ZINC000894166755 629180029 /nfs/dbraw/zinc/18/00/29/629180029.db2.gz UDEOFPDXJDUWHT-UHFFFAOYSA-N 2 1 276.384 2.351 20 0 CEADMP Cc1noc2ncc(C[NH2+]CCC[N@H+](C)C(C)C)cc12 ZINC000894166755 629180031 /nfs/dbraw/zinc/18/00/31/629180031.db2.gz UDEOFPDXJDUWHT-UHFFFAOYSA-N 2 1 276.384 2.351 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000894242154 629248798 /nfs/dbraw/zinc/24/87/98/629248798.db2.gz TYAGVXGXCVKMDX-KBPBESRZSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261809206 629251117 /nfs/dbraw/zinc/25/11/17/629251117.db2.gz ZNNOCONXTSASBA-JSGCOSHPSA-N 2 1 295.377 2.005 20 0 CEADMP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000924958686 629296709 /nfs/dbraw/zinc/29/67/09/629296709.db2.gz GGNYJPYVWJSFPU-ZNMIVQPWSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]1COC[C@H](C)C1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000924968807 629308507 /nfs/dbraw/zinc/30/85/07/629308507.db2.gz FIKKSXQQAVMCSJ-STQMWFEESA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]1COC[C@H](C)C1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000924968807 629308512 /nfs/dbraw/zinc/30/85/12/629308512.db2.gz FIKKSXQQAVMCSJ-STQMWFEESA-N 2 1 254.418 2.121 20 0 CEADMP Cc1cc[nH+]c(N)c1CN(CCC[NH3+])c1cccc(F)c1 ZINC000894446516 629466111 /nfs/dbraw/zinc/46/61/11/629466111.db2.gz VJFQWHQUILEFBW-UHFFFAOYSA-N 2 1 288.370 2.467 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnn(CCF)c3)C2)CC1 ZINC000894476174 629483629 /nfs/dbraw/zinc/48/36/29/629483629.db2.gz CHYRVNBETQFNKL-MRXNPFEDSA-N 2 1 294.418 2.016 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894777058 629633655 /nfs/dbraw/zinc/63/36/55/629633655.db2.gz LEKYYQQSNWSNMI-UHFFFAOYSA-N 2 1 276.384 2.042 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894777058 629633657 /nfs/dbraw/zinc/63/36/57/629633657.db2.gz LEKYYQQSNWSNMI-UHFFFAOYSA-N 2 1 276.384 2.042 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cn3ccnc3s2)C1 ZINC000894860985 629698252 /nfs/dbraw/zinc/69/82/52/629698252.db2.gz MNRDBRUCKUQVCW-GFCCVEGCSA-N 2 1 278.425 2.217 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000894861049 629698310 /nfs/dbraw/zinc/69/83/10/629698310.db2.gz OHCITMFZLVBKAK-GFCCVEGCSA-N 2 1 266.360 2.353 20 0 CEADMP COCCOc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000894861279 629698581 /nfs/dbraw/zinc/69/85/81/629698581.db2.gz RGOKVIAITNYRLC-CQSZACIVSA-N 2 1 296.411 2.126 20 0 CEADMP CCn1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000894861938 629699359 /nfs/dbraw/zinc/69/93/59/629699359.db2.gz ZDPRPKDJZZIYCH-CQSZACIVSA-N 2 1 264.417 2.033 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](Nc3nc(N)cc(C)[nH+]3)C2)cc1 ZINC000894990142 629781826 /nfs/dbraw/zinc/78/18/26/629781826.db2.gz SHOMVSOUWOUIEE-HNNXBMFYSA-N 2 1 297.406 2.362 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](Nc3nc(N)cc(C)[nH+]3)C2)cc1 ZINC000894990142 629781832 /nfs/dbraw/zinc/78/18/32/629781832.db2.gz SHOMVSOUWOUIEE-HNNXBMFYSA-N 2 1 297.406 2.362 20 0 CEADMP CC[NH+]1CCC(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000796285409 629834286 /nfs/dbraw/zinc/83/42/86/629834286.db2.gz RLLLCRHSJLKMFH-UHFFFAOYSA-N 3 1 296.484 2.026 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000895130798 629937687 /nfs/dbraw/zinc/93/76/87/629937687.db2.gz SIPAUYUJYKCWJB-MRXNPFEDSA-N 2 1 295.471 2.288 20 0 CEADMP CCOC(CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)OCC ZINC000796961399 630082960 /nfs/dbraw/zinc/08/29/60/630082960.db2.gz MRENTJDKWWCELJ-RBSFLKMASA-N 2 1 284.444 2.238 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[NH+]1CCCC1 ZINC000902740840 634794946 /nfs/dbraw/zinc/79/49/46/634794946.db2.gz DPPVNHDCVRSLCI-VCCANDMLSA-N 2 1 278.440 2.264 20 0 CEADMP Cc1ncoc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895557159 630248200 /nfs/dbraw/zinc/24/82/00/630248200.db2.gz NNCPIGLWRQOEPW-GFCCVEGCSA-N 2 1 272.352 2.089 20 0 CEADMP Cc1ncoc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895557159 630248204 /nfs/dbraw/zinc/24/82/04/630248204.db2.gz NNCPIGLWRQOEPW-GFCCVEGCSA-N 2 1 272.352 2.089 20 0 CEADMP Cc1cc(CNC[C@@H]2CCCC[N@H+](C)C2)cnc1F ZINC000895587404 630261873 /nfs/dbraw/zinc/26/18/73/630261873.db2.gz RJYCBWGNTCRFRG-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cnc1F ZINC000895587404 630261875 /nfs/dbraw/zinc/26/18/75/630261875.db2.gz RJYCBWGNTCRFRG-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cnc1F ZINC000895587404 630261877 /nfs/dbraw/zinc/26/18/77/630261877.db2.gz RJYCBWGNTCRFRG-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(CO)o1 ZINC000895684541 630306360 /nfs/dbraw/zinc/30/63/60/630306360.db2.gz DUAPTHFHRRBHPW-UHFFFAOYSA-N 2 1 280.412 2.470 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)CC1 ZINC000895845548 630368624 /nfs/dbraw/zinc/36/86/24/630368624.db2.gz WSSAOWQOPPZPRG-KGLIPLIRSA-N 2 1 254.443 2.013 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000909555461 630769740 /nfs/dbraw/zinc/76/97/40/630769740.db2.gz BITIJOAHXHERAE-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000909555461 630769744 /nfs/dbraw/zinc/76/97/44/630769744.db2.gz BITIJOAHXHERAE-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000909555461 630769749 /nfs/dbraw/zinc/76/97/49/630769749.db2.gz BITIJOAHXHERAE-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP Cn1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000798956990 630956954 /nfs/dbraw/zinc/95/69/54/630956954.db2.gz TWQKNCSHSCLMLF-UHFFFAOYSA-N 2 1 261.413 2.333 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799196789 630996803 /nfs/dbraw/zinc/99/68/03/630996803.db2.gz XDJRCYADPQCGQX-OAHLLOKOSA-N 2 1 270.380 2.466 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799196789 630996806 /nfs/dbraw/zinc/99/68/06/630996806.db2.gz XDJRCYADPQCGQX-OAHLLOKOSA-N 2 1 270.380 2.466 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904316496 635563367 /nfs/dbraw/zinc/56/33/67/635563367.db2.gz NHQCJUNPTWZELU-DOTOQJQBSA-N 2 1 295.471 2.004 20 0 CEADMP CCCNC(=O)[C@H]1CCC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904317043 635565118 /nfs/dbraw/zinc/56/51/18/635565118.db2.gz UKRVXWIINJRYTG-LSDHHAIUSA-N 2 1 297.487 2.378 20 0 CEADMP CCCNC(=O)[C@H]1CCC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904317043 635565120 /nfs/dbraw/zinc/56/51/20/635565120.db2.gz UKRVXWIINJRYTG-LSDHHAIUSA-N 2 1 297.487 2.378 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)Cc2ccccc2)CC[N@@H+]1C ZINC000799730214 631071500 /nfs/dbraw/zinc/07/15/00/631071500.db2.gz CNEOIOGPKOIKNK-DJIMGWMZSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)Cc2ccccc2)CC[N@H+]1C ZINC000799730214 631071504 /nfs/dbraw/zinc/07/15/04/631071504.db2.gz CNEOIOGPKOIKNK-DJIMGWMZSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@H](CCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCCCC1 ZINC000897376568 631252729 /nfs/dbraw/zinc/25/27/29/631252729.db2.gz ZLKXUBKACRCLPY-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000035054317 631307450 /nfs/dbraw/zinc/30/74/50/631307450.db2.gz TWYZMXFHBDQNIC-UHFFFAOYSA-N 2 1 260.381 2.412 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCCC[C@H]1CCO ZINC000342071321 631502156 /nfs/dbraw/zinc/50/21/56/631502156.db2.gz XGDVIRATZXUFRU-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCCC[C@H]1CCO ZINC000342071321 631502162 /nfs/dbraw/zinc/50/21/62/631502162.db2.gz XGDVIRATZXUFRU-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCCC[C@H]1CCO ZINC000342071321 631502167 /nfs/dbraw/zinc/50/21/67/631502167.db2.gz XGDVIRATZXUFRU-GJZGRUSLSA-N 2 1 254.418 2.098 20 0 CEADMP c1ccc(CSCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420907 635632943 /nfs/dbraw/zinc/63/29/43/635632943.db2.gz YDPDVZJMHQWKPP-JKSUJKDBSA-N 2 1 276.449 2.461 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1OC ZINC000904421102 635633421 /nfs/dbraw/zinc/63/34/21/635633421.db2.gz OPAYDGKUAGCCBM-LSDHHAIUSA-N 2 1 290.407 2.135 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1OC ZINC000904421102 635633426 /nfs/dbraw/zinc/63/34/26/635633426.db2.gz OPAYDGKUAGCCBM-LSDHHAIUSA-N 2 1 290.407 2.135 20 0 CEADMP CCOc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)ccc1O ZINC000897620699 631832932 /nfs/dbraw/zinc/83/29/32/631832932.db2.gz WAZSSLHDSQQTJG-WMLDXEAASA-N 2 1 290.407 2.174 20 0 CEADMP C1CCC2(C1)OCC[C@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000898110226 632054706 /nfs/dbraw/zinc/05/47/06/632054706.db2.gz DEXJHCGOWPYFNP-RRFJBIMHSA-N 2 1 264.413 2.305 20 0 CEADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000809974822 632163739 /nfs/dbraw/zinc/16/37/39/632163739.db2.gz LWOZTCTUIHFEPS-UHFFFAOYSA-N 2 1 293.459 2.149 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989482750 632184923 /nfs/dbraw/zinc/18/49/23/632184923.db2.gz HKTKORXSJKIDIT-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP O=C(O[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c[nH+]cn2c1 ZINC000810838897 632284870 /nfs/dbraw/zinc/28/48/70/632284870.db2.gz SMGQNFVZSSNAHG-HIFRSBDPSA-N 2 1 285.347 2.118 20 0 CEADMP COC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000866505721 632318149 /nfs/dbraw/zinc/31/81/49/632318149.db2.gz SVMLECUYKJWBQP-MJBXVCDLSA-N 2 1 254.418 2.264 20 0 CEADMP C(C[N@H+]1CC[C@H]2CSC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000866703125 632341647 /nfs/dbraw/zinc/34/16/47/632341647.db2.gz FMAJWOMWBHKPAK-MELADBBJSA-N 2 1 254.443 2.061 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CCC[C@H]1C(C)C)C[NH+](C)C ZINC000926959205 632386610 /nfs/dbraw/zinc/38/66/10/632386610.db2.gz ACENIGNYMSNPQB-ILXRZTDVSA-N 2 1 256.434 2.367 20 0 CEADMP CCO[C@H](C[NH2+][C@H](C)Cc1cccc(F)c1)C[NH+](C)C ZINC000926962801 632390419 /nfs/dbraw/zinc/39/04/19/632390419.db2.gz MYUPPIHQNOLOFY-CZUORRHYSA-N 2 1 282.403 2.313 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)C[NH+](C)C ZINC000926963210 632391042 /nfs/dbraw/zinc/39/10/42/632391042.db2.gz SZTWNRRTUCKIRW-LXTVHRRPSA-N 2 1 256.434 2.367 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCCO2)[C@H]2CCC[C@H]21 ZINC000927016009 632416258 /nfs/dbraw/zinc/41/62/58/632416258.db2.gz DXDZUCNZMPFORO-QXSJWSMHSA-N 2 1 266.429 2.408 20 0 CEADMP COc1ccnc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000924697107 632430023 /nfs/dbraw/zinc/43/00/23/632430023.db2.gz JTBKCHVRAZOWBV-MJBXVCDLSA-N 2 1 275.396 2.368 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CCCO)C1 ZINC000924705019 632439110 /nfs/dbraw/zinc/43/91/10/632439110.db2.gz JYLJSODMOMICEA-OWCLPIDISA-N 2 1 268.445 2.249 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000927124576 632471772 /nfs/dbraw/zinc/47/17/72/632471772.db2.gz MHQCHPZTTHIFBM-IUOOZAAYSA-N 2 1 278.440 2.408 20 0 CEADMP CN(Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCC[N@H+]1C ZINC000817417070 633654970 /nfs/dbraw/zinc/65/49/70/633654970.db2.gz CIYJMDOURIXUTL-QGZVFWFLSA-N 2 1 275.440 2.274 20 0 CEADMP CN1CCC[C@@H]1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000817417070 633654972 /nfs/dbraw/zinc/65/49/72/633654972.db2.gz CIYJMDOURIXUTL-QGZVFWFLSA-N 2 1 275.440 2.274 20 0 CEADMP CN1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000817417070 633654976 /nfs/dbraw/zinc/65/49/76/633654976.db2.gz CIYJMDOURIXUTL-QGZVFWFLSA-N 2 1 275.440 2.274 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000817894468 633756564 /nfs/dbraw/zinc/75/65/64/633756564.db2.gz ZLJTUDPRMAXTFT-MLGOLLRUSA-N 2 1 271.364 2.187 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000817895668 633758314 /nfs/dbraw/zinc/75/83/14/633758314.db2.gz WRQCEJVKWUKBGK-UPJWGTAASA-N 2 1 289.206 2.496 20 0 CEADMP Cc1noc(C)c1CCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000817899862 633760355 /nfs/dbraw/zinc/76/03/55/633760355.db2.gz QOSYIKPFEMZQSE-IUODEOHRSA-N 2 1 265.401 2.344 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900898 633761993 /nfs/dbraw/zinc/76/19/93/633761993.db2.gz QOVGLUSQKKGFPH-ZGRYLRDCSA-N 3 1 279.472 2.371 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000817910561 633768727 /nfs/dbraw/zinc/76/87/27/633768727.db2.gz WBVUENSLZYUOFU-BLLLJJGKSA-N 2 1 271.364 2.187 20 0 CEADMP Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000817910566 633768937 /nfs/dbraw/zinc/76/89/37/633768937.db2.gz WBVUENSLZYUOFU-WBMJQRKESA-N 2 1 271.364 2.187 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])o1 ZINC000817912125 633770043 /nfs/dbraw/zinc/77/00/43/633770043.db2.gz FNXVQXORPKQAFM-NUEKZKHPSA-N 2 1 288.391 2.170 20 0 CEADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000817913436 633772117 /nfs/dbraw/zinc/77/21/17/633772117.db2.gz PFPRBIJEVGBCNS-VOAKCMCISA-N 2 1 268.426 2.290 20 0 CEADMP C[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1c[nH+]ccc1N ZINC000817918585 633777016 /nfs/dbraw/zinc/77/70/16/633777016.db2.gz WGKQLQGALPDATF-BZNIZROVSA-N 2 1 289.354 2.192 20 0 CEADMP COc1cccc2[nH]cc(CC[NH2+][C@@H]3C[NH2+]CC[C@H]3C)c21 ZINC000817920472 633778762 /nfs/dbraw/zinc/77/87/62/633778762.db2.gz MNVSWUTUAHUJPJ-IUODEOHRSA-N 2 1 287.407 2.307 20 0 CEADMP C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000817924346 633780851 /nfs/dbraw/zinc/78/08/51/633780851.db2.gz QPEVUEAVODRCOO-OIISXLGYSA-N 2 1 276.424 2.404 20 0 CEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cnn(-c2ccccc2)c1 ZINC000817936949 633787595 /nfs/dbraw/zinc/78/75/95/633787595.db2.gz SMKBZVAYJUGVDI-ZDUSSCGKSA-N 2 1 270.380 2.275 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@H]2CCC[C@H]21 ZINC000817948842 633795293 /nfs/dbraw/zinc/79/52/93/633795293.db2.gz LWECJWNWEYUZHV-FGTMMUONSA-N 3 1 287.451 2.150 20 0 CEADMP CN1CC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@H]2CCC[C@H]21 ZINC000817948842 633795300 /nfs/dbraw/zinc/79/53/00/633795300.db2.gz LWECJWNWEYUZHV-FGTMMUONSA-N 2 1 287.451 2.150 20 0 CEADMP CCOc1cccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000817980023 633822765 /nfs/dbraw/zinc/82/27/65/633822765.db2.gz HPAZOCFCKBNPOH-XJKSGUPXSA-N 2 1 278.396 2.114 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000818973128 634022689 /nfs/dbraw/zinc/02/26/89/634022689.db2.gz RTYPTVOPNMGNPG-YOEHRIQHSA-N 2 1 274.408 2.102 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000818988038 634030540 /nfs/dbraw/zinc/03/05/40/634030540.db2.gz CPHANFLWBCASKC-CQSZACIVSA-N 2 1 297.761 2.307 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000818989510 634031751 /nfs/dbraw/zinc/03/17/51/634031751.db2.gz OLQKAJFYBSTMOK-INIZCTEOSA-N 2 1 273.380 2.132 20 0 CEADMP C[C@@H](CC[NH2+]C[C@@H](O)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000819126716 634075918 /nfs/dbraw/zinc/07/59/18/634075918.db2.gz QQHDSRIDHYNNNB-WMLDXEAASA-N 2 1 276.424 2.258 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000819219748 634107957 /nfs/dbraw/zinc/10/79/57/634107957.db2.gz GXUJZWUCHCZTFL-PBHICJAKSA-N 2 1 274.408 2.268 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)c1ccccc1F)C1=CC[N@@H+](C)CC1 ZINC000819220068 634107973 /nfs/dbraw/zinc/10/79/73/634107973.db2.gz JZMWGTIJJINYHT-LRDDRELGSA-N 2 1 278.371 2.099 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000819366727 634157537 /nfs/dbraw/zinc/15/75/37/634157537.db2.gz UCMZMBAFFMWSEK-DOTOQJQBSA-N 2 1 276.424 2.350 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000819367478 634158032 /nfs/dbraw/zinc/15/80/32/634158032.db2.gz ZWFJXPLUQPTDKH-MLGOLLRUSA-N 2 1 298.377 2.320 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903057505 634949358 /nfs/dbraw/zinc/94/93/58/634949358.db2.gz IBIQDVBYKBHSLD-YQAQFAQXSA-N 2 1 277.456 2.218 20 0 CEADMP CC[NH+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903057505 634949360 /nfs/dbraw/zinc/94/93/60/634949360.db2.gz IBIQDVBYKBHSLD-YQAQFAQXSA-N 2 1 277.456 2.218 20 0 CEADMP CC[NH+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903057505 634949363 /nfs/dbraw/zinc/94/93/63/634949363.db2.gz IBIQDVBYKBHSLD-YQAQFAQXSA-N 2 1 277.456 2.218 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903171533 634997500 /nfs/dbraw/zinc/99/75/00/634997500.db2.gz HVWWTZGCAPWYFK-YTTRVJOFSA-N 2 1 279.472 2.463 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903171533 634997503 /nfs/dbraw/zinc/99/75/03/634997503.db2.gz HVWWTZGCAPWYFK-YTTRVJOFSA-N 2 1 279.472 2.463 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903171533 634997505 /nfs/dbraw/zinc/99/75/05/634997505.db2.gz HVWWTZGCAPWYFK-YTTRVJOFSA-N 2 1 279.472 2.463 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903186975 635012722 /nfs/dbraw/zinc/01/27/22/635012722.db2.gz XCCLKLMFRVAYTD-DUZACMNTSA-N 3 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903186975 635012727 /nfs/dbraw/zinc/01/27/27/635012727.db2.gz XCCLKLMFRVAYTD-DUZACMNTSA-N 3 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903186975 635012730 /nfs/dbraw/zinc/01/27/30/635012730.db2.gz XCCLKLMFRVAYTD-DUZACMNTSA-N 3 1 291.483 2.466 20 0 CEADMP CC1CC[NH+](Cc2ccc(-c3noc(C[NH3+])n3)cc2)CC1 ZINC000822920314 635027717 /nfs/dbraw/zinc/02/77/17/635027717.db2.gz RYKPBRNMZZGRSX-UHFFFAOYSA-N 2 1 286.379 2.427 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2cccc(F)c2)CC[N@H+]1C ZINC000903310272 635060933 /nfs/dbraw/zinc/06/09/33/635060933.db2.gz PITCTSXHFABKIS-DAXOMENPSA-N 2 1 280.387 2.106 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903378494 635092436 /nfs/dbraw/zinc/09/24/36/635092436.db2.gz CWPOYSCGCHBKNU-FVQBIDKESA-N 2 1 277.412 2.089 20 0 CEADMP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903382508 635094688 /nfs/dbraw/zinc/09/46/88/635094688.db2.gz FXOKPMQQRUIUDU-VYDXJSESSA-N 2 1 291.439 2.479 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000903439286 635117951 /nfs/dbraw/zinc/11/79/51/635117951.db2.gz DPPYATSVJANBPK-XJFOESAGSA-N 2 1 254.443 2.202 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000903439286 635117952 /nfs/dbraw/zinc/11/79/52/635117952.db2.gz DPPYATSVJANBPK-XJFOESAGSA-N 2 1 254.443 2.202 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@@H](c3ccsc3)C2)C1 ZINC000903439567 635119009 /nfs/dbraw/zinc/11/90/09/635119009.db2.gz KWIXWYIFSLUNSB-IACUBPJLSA-N 2 1 266.410 2.249 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903420560 635121747 /nfs/dbraw/zinc/12/17/47/635121747.db2.gz CBAIXLRLWXQEAV-RVMXOQNASA-N 2 1 258.356 2.209 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903459042 635124969 /nfs/dbraw/zinc/12/49/69/635124969.db2.gz QOTNJPRIPUJTOE-YCPHGPKFSA-N 2 1 282.428 2.025 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903441845 635128413 /nfs/dbraw/zinc/12/84/13/635128413.db2.gz CDIARMMGQFHLQF-YESZJQIVSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1CN(C)c2ccccc2C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903443791 635129624 /nfs/dbraw/zinc/12/96/24/635129624.db2.gz HVEMGELJGIZFID-FMKPAKJESA-N 2 1 273.424 2.454 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOC2CCSCC2)[C@H]2CCC[C@@H]21 ZINC000903445891 635131954 /nfs/dbraw/zinc/13/19/54/635131954.db2.gz LLEMTWRHPGQVGQ-PMPSAXMXSA-N 2 1 298.496 2.361 20 0 CEADMP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)NC1CCCCC1 ZINC000903485762 635151783 /nfs/dbraw/zinc/15/17/83/635151783.db2.gz PZQZGFDNLACQPC-OAHLLOKOSA-N 2 1 293.455 2.090 20 0 CEADMP CCc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903495125 635157873 /nfs/dbraw/zinc/15/78/73/635157873.db2.gz WENPUSCDSZEPCY-UKRRQHHQSA-N 2 1 289.423 2.104 20 0 CEADMP CCCCc1noc([C@@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903496909 635157938 /nfs/dbraw/zinc/15/79/38/635157938.db2.gz JTLQNXZEAUSNRK-JHJVBQTASA-N 2 1 280.416 2.390 20 0 CEADMP CO[C@@H](C[N@@H+]1C[C@@H](N)C(C)(C)C1)C1CCCCC1 ZINC000903559883 635163713 /nfs/dbraw/zinc/16/37/13/635163713.db2.gz LHLLQMDZOCOWOL-UONOGXRCSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@@H](C[N@H+]1C[C@@H](N)C(C)(C)C1)C1CCCCC1 ZINC000903559883 635163716 /nfs/dbraw/zinc/16/37/16/635163716.db2.gz LHLLQMDZOCOWOL-UONOGXRCSA-N 2 1 254.418 2.251 20 0 CEADMP c1csc(C[C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903565183 635164223 /nfs/dbraw/zinc/16/42/23/635164223.db2.gz FNCZEDPDIZAERS-KBPBESRZSA-N 2 1 279.453 2.397 20 0 CEADMP CCCC[N@@H+](CC)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717462 635232617 /nfs/dbraw/zinc/23/26/17/635232617.db2.gz AQGOCMXHMOXQEB-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP Cc1ccccc1C[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717672 635232703 /nfs/dbraw/zinc/23/27/03/635232703.db2.gz CVBMTUDUMRUWSB-IRXDYDNUSA-N 2 1 274.408 2.195 20 0 CEADMP C[N@H+](Cc1ccccc1F)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719069 635234177 /nfs/dbraw/zinc/23/41/77/635234177.db2.gz UWXMBPMOXLEBLV-GDBMZVCRSA-N 2 1 278.371 2.026 20 0 CEADMP FC(F)(F)CO[C@@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903722883 635236329 /nfs/dbraw/zinc/23/63/29/635236329.db2.gz QJDJBCXUMCJPJY-CHWSQXEVSA-N 2 1 294.361 2.419 20 0 CEADMP FC(F)(F)CO[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903722883 635236336 /nfs/dbraw/zinc/23/63/36/635236336.db2.gz QJDJBCXUMCJPJY-CHWSQXEVSA-N 2 1 294.361 2.419 20 0 CEADMP CC[C@@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722602 635236544 /nfs/dbraw/zinc/23/65/44/635236544.db2.gz NSWKKHRLMBNKSU-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP Oc1ccc2c(c1)C[N@@H+](C[C@H]1CCCC[NH2+]C1)CC2 ZINC000903723649 635237081 /nfs/dbraw/zinc/23/70/81/635237081.db2.gz XMRGBUAQJOLVSQ-ZDUSSCGKSA-N 2 1 260.381 2.140 20 0 CEADMP Oc1ccc2c(c1)C[N@H+](C[C@H]1CCCC[NH2+]C1)CC2 ZINC000903723649 635237083 /nfs/dbraw/zinc/23/70/83/635237083.db2.gz XMRGBUAQJOLVSQ-ZDUSSCGKSA-N 2 1 260.381 2.140 20 0 CEADMP C[N@@H+](CCCc1ccccc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723934 635237756 /nfs/dbraw/zinc/23/77/56/635237756.db2.gz JOHWQICQCOBQGU-QZTJIDSGSA-N 2 1 288.435 2.320 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903726550 635239609 /nfs/dbraw/zinc/23/96/09/635239609.db2.gz MUBGMAAATVGYHB-HOTGVXAUSA-N 2 1 295.471 2.004 20 0 CEADMP CC(C)[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903731833 635242454 /nfs/dbraw/zinc/24/24/54/635242454.db2.gz AINKYSBUEGECHR-CABCVRRESA-N 2 1 266.429 2.123 20 0 CEADMP c1cc(C[NH+]2CCN(C[C@H]3CCCC[NH2+]C3)CC2)cs1 ZINC000903734255 635250321 /nfs/dbraw/zinc/25/03/21/635250321.db2.gz WTJOQHAXLFLIDQ-HNNXBMFYSA-N 2 1 293.480 2.255 20 0 CEADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000903733446 635250620 /nfs/dbraw/zinc/25/06/20/635250620.db2.gz KKNBFTXDLRQEEB-LVQVYYBASA-N 2 1 296.480 2.115 20 0 CEADMP c1csc(N2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)c1 ZINC000903740332 635253408 /nfs/dbraw/zinc/25/34/08/635253408.db2.gz GPGXAWROBUTNOP-AWEZNQCLSA-N 2 1 279.453 2.260 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H](C)C1 ZINC000903768164 635259712 /nfs/dbraw/zinc/25/97/12/635259712.db2.gz LEMDFZRYEATAJL-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP Cc1cc(C2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)n[nH]1 ZINC000903757297 635260976 /nfs/dbraw/zinc/26/09/76/635260976.db2.gz BTNNIHIAIYEWLB-AWEZNQCLSA-N 2 1 276.428 2.287 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H]2CC[C@@]21CN)C1CCC1 ZINC000903798887 635276022 /nfs/dbraw/zinc/27/60/22/635276022.db2.gz BDUSUSYAYBKUHI-RBSFLKMASA-N 2 1 252.402 2.005 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+])C1CCC1 ZINC000903798887 635276029 /nfs/dbraw/zinc/27/60/29/635276029.db2.gz BDUSUSYAYBKUHI-RBSFLKMASA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)C[NH2+]C[C@@H]1[NH2+]CCCCOc1ccccc1 ZINC000903822255 635290256 /nfs/dbraw/zinc/29/02/56/635290256.db2.gz YHCIPHUFBHTUQY-HNNXBMFYSA-N 2 1 262.397 2.433 20 0 CEADMP Cc1noc(C[C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000903825321 635293419 /nfs/dbraw/zinc/29/34/19/635293419.db2.gz YXAKQRQSXZSJQO-OAHLLOKOSA-N 2 1 292.427 2.022 20 0 CEADMP Cc1noc(C[C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000903825320 635293852 /nfs/dbraw/zinc/29/38/52/635293852.db2.gz YXAKQRQSXZSJQO-HNNXBMFYSA-N 2 1 292.427 2.022 20 0 CEADMP CC1(C)CCC[C@H](C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])O1 ZINC000903860426 635311335 /nfs/dbraw/zinc/31/13/35/635311335.db2.gz RNVHUSCHKBMANJ-NFAWXSAZSA-N 2 1 252.402 2.147 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])O1 ZINC000903860426 635311340 /nfs/dbraw/zinc/31/13/40/635311340.db2.gz RNVHUSCHKBMANJ-NFAWXSAZSA-N 2 1 252.402 2.147 20 0 CEADMP Cc1noc([C@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903887333 635314764 /nfs/dbraw/zinc/31/47/64/635314764.db2.gz YTVAKJYJBQLJTM-WIGRTHMWSA-N 2 1 290.411 2.088 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903872101 635321095 /nfs/dbraw/zinc/32/10/95/635321095.db2.gz DAUAUSVCQLYQLV-GDBMZVCRSA-N 2 1 278.444 2.110 20 0 CEADMP C[C@H]([N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000903883933 635326103 /nfs/dbraw/zinc/32/61/03/635326103.db2.gz MKVPKWWQCQWDBR-STQMWFEESA-N 2 1 279.432 2.069 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@H](CC(C)C)C2)cnn1C ZINC000903893096 635329363 /nfs/dbraw/zinc/32/93/63/635329363.db2.gz QGWIUXNDHNGVIL-HOTGVXAUSA-N 2 1 292.471 2.214 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCCC[C@@H]2C)cnn1C ZINC000903893661 635330613 /nfs/dbraw/zinc/33/06/13/635330613.db2.gz XZJJTGFTGZFWOK-DZGCQCFKSA-N 2 1 278.444 2.110 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC[C@H]([NH3+])CC(F)F ZINC000903902472 635339268 /nfs/dbraw/zinc/33/92/68/635339268.db2.gz HFDNMVRYNHKOKH-CQSZACIVSA-N 2 1 299.409 2.469 20 0 CEADMP CCC[C@@H]1CCCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903908484 635342651 /nfs/dbraw/zinc/34/26/51/635342651.db2.gz JWNJNPYZYOEMTQ-CABCVRRESA-N 2 1 291.443 2.357 20 0 CEADMP CCC[C@]1(COC)CCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903913243 635347156 /nfs/dbraw/zinc/34/71/56/635347156.db2.gz NRTFOMVNJTWQPU-WCQYABFASA-N 2 1 264.360 2.250 20 0 CEADMP CCC[C@]1(COC)CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903913243 635347159 /nfs/dbraw/zinc/34/71/59/635347159.db2.gz NRTFOMVNJTWQPU-WCQYABFASA-N 2 1 264.360 2.250 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1cccc2c1CCCN2)CC(F)F ZINC000903919265 635348877 /nfs/dbraw/zinc/34/88/77/635348877.db2.gz LNCKYHWNRWFCSC-LLVKDONJSA-N 2 1 269.339 2.117 20 0 CEADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903930494 635357297 /nfs/dbraw/zinc/35/72/97/635357297.db2.gz YXNSRJKCUCJJPX-AAEUAGOBSA-N 2 1 271.355 2.365 20 0 CEADMP C[C@@H](CCC1CC1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972789 635391288 /nfs/dbraw/zinc/39/12/88/635391288.db2.gz LKZFFTYOLJUING-ZFWWWQNUSA-N 2 1 266.429 2.313 20 0 CEADMP CCC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973978 635391643 /nfs/dbraw/zinc/39/16/43/635391643.db2.gz RKFWMIYBKPGBHT-KBPBESRZSA-N 2 1 254.418 2.171 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@]1(C)CCC[NH2+]C1 ZINC000904303690 635554935 /nfs/dbraw/zinc/55/49/35/635554935.db2.gz CZWISLZPCZZKHN-QGZVFWFLSA-N 2 1 290.407 2.279 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@]1(C)CCC[NH2+]C1 ZINC000904303690 635554940 /nfs/dbraw/zinc/55/49/40/635554940.db2.gz CZWISLZPCZZKHN-QGZVFWFLSA-N 2 1 290.407 2.279 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(C(=O)OC)c(C)c2)CC[C@H]1[NH3+] ZINC000904301996 635555351 /nfs/dbraw/zinc/55/53/51/635555351.db2.gz SIANTYLYIAOORB-GDBMZVCRSA-N 2 1 290.407 2.341 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCSC3(CCCCC3)C2)C1 ZINC000904324979 635570483 /nfs/dbraw/zinc/57/04/83/635570483.db2.gz OLJCKJSWBBFRIZ-BETUJISGSA-N 2 1 254.443 2.475 20 0 CEADMP C[C@]1(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC[NH2+]C1 ZINC000904328157 635573035 /nfs/dbraw/zinc/57/30/35/635573035.db2.gz MDOUEKQDQPVBNF-JQHSSLGASA-N 2 1 291.483 2.325 20 0 CEADMP C[C@]1(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CCC[NH2+]C1 ZINC000904328157 635573039 /nfs/dbraw/zinc/57/30/39/635573039.db2.gz MDOUEKQDQPVBNF-JQHSSLGASA-N 2 1 291.483 2.325 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CCC[NH2+]C1 ZINC000904328157 635573043 /nfs/dbraw/zinc/57/30/43/635573043.db2.gz MDOUEKQDQPVBNF-JQHSSLGASA-N 2 1 291.483 2.325 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCc2ccccn2)Cc2cccnc2)C1 ZINC000904345329 635582042 /nfs/dbraw/zinc/58/20/42/635582042.db2.gz GRWDTPSNGQJRTM-CALCHBBNSA-N 2 1 296.418 2.259 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CCC[NH2+]C1 ZINC000904371350 635593577 /nfs/dbraw/zinc/59/35/77/635593577.db2.gz NGLYKSJIMUPVHL-BBWFWOEESA-N 2 1 280.456 2.249 20 0 CEADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CNCC[C@@H]2c2ccccc2)cc1 ZINC000904377178 635601589 /nfs/dbraw/zinc/60/15/89/635601589.db2.gz KLLANMYHOLJFCQ-RTBURBONSA-N 2 1 295.430 2.381 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000904405373 635612458 /nfs/dbraw/zinc/61/24/58/635612458.db2.gz LXVZSCAVJSLVHA-AWEZNQCLSA-N 2 1 270.380 2.043 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000904406032 635614244 /nfs/dbraw/zinc/61/42/44/635614244.db2.gz OBFONRCDIFXBAF-OAHLLOKOSA-N 2 1 298.390 2.440 20 0 CEADMP C[C@@H]1C[N@H+](C[C@H]([NH3+])CCC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000904410575 635616728 /nfs/dbraw/zinc/61/67/28/635616728.db2.gz OWHBAOAYDIRVPN-MGPQQGTHSA-N 3 1 255.450 2.057 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000904410575 635616730 /nfs/dbraw/zinc/61/67/30/635616730.db2.gz OWHBAOAYDIRVPN-MGPQQGTHSA-N 3 1 255.450 2.057 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cnc1Cl ZINC000904410850 635617037 /nfs/dbraw/zinc/61/70/37/635617037.db2.gz JHEIEUSCBODOKR-DGCLKSJQSA-N 2 1 267.804 2.460 20 0 CEADMP C[C@@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)CC[C@H]1C[NH3+] ZINC000904411286 635619294 /nfs/dbraw/zinc/61/92/94/635619294.db2.gz UBRMSSLVIBFHLJ-PBHICJAKSA-N 2 1 288.435 2.471 20 0 CEADMP CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904410989 635619550 /nfs/dbraw/zinc/61/95/50/635619550.db2.gz IKWXURIHULGKPN-QWRGUYRKSA-N 2 1 284.835 2.053 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)o1 ZINC000904412799 635620106 /nfs/dbraw/zinc/62/01/06/635620106.db2.gz ZBZQKZSFSVCTRH-AAEUAGOBSA-N 2 1 288.395 2.395 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)CCO1 ZINC000904429904 635625350 /nfs/dbraw/zinc/62/53/50/635625350.db2.gz BCXMYHYWKVYTFI-OAGGEKHMSA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)CCO1 ZINC000904429904 635625351 /nfs/dbraw/zinc/62/53/51/635625351.db2.gz BCXMYHYWKVYTFI-OAGGEKHMSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@]12C[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000904463276 635635598 /nfs/dbraw/zinc/63/55/98/635635598.db2.gz OWXNPPMJGDLKDA-ILOGHGLZSA-N 2 1 256.340 2.113 20 0 CEADMP CC[NH2+]Cc1noc(-c2ccc(C[NH+]3CCCCC3)o2)n1 ZINC000904495394 635645846 /nfs/dbraw/zinc/64/58/46/635645846.db2.gz UDGPYUANVRYLFG-UHFFFAOYSA-N 2 1 290.367 2.425 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905041337 635783428 /nfs/dbraw/zinc/78/34/28/635783428.db2.gz HMTRIDABKPGYPE-ZIAGYGMSSA-N 2 1 298.500 2.260 20 0 CEADMP C[N@H+](CCC[NH2+]C[C@@](C)(O)C(F)F)Cc1ccccc1 ZINC000905024071 635791672 /nfs/dbraw/zinc/79/16/72/635791672.db2.gz IGTJGQIWXRVHHT-OAHLLOKOSA-N 2 1 286.366 2.114 20 0 CEADMP C[N@@H+](CCC[NH2+]C[C@@](C)(O)C(F)F)Cc1ccccc1 ZINC000905024071 635791674 /nfs/dbraw/zinc/79/16/74/635791674.db2.gz IGTJGQIWXRVHHT-OAHLLOKOSA-N 2 1 286.366 2.114 20 0 CEADMP Cc1c[nH+]ccc1N1CCC(c2nc(C3([NH3+])CC3)no2)CC1 ZINC000905323600 636220270 /nfs/dbraw/zinc/22/02/70/636220270.db2.gz FXFJUUBWUGNXRX-UHFFFAOYSA-N 2 1 299.378 2.105 20 0 CEADMP O[C@@]1(C[NH2+]C[C@@H]2C=CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905409733 636261779 /nfs/dbraw/zinc/26/17/79/636261779.db2.gz KPCOCSNBLSYJAT-SJLPKXTDSA-N 2 1 286.419 2.179 20 0 CEADMP O[C@@]1(C[NH2+]C[C@@H]2C=CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905409733 636261783 /nfs/dbraw/zinc/26/17/83/636261783.db2.gz KPCOCSNBLSYJAT-SJLPKXTDSA-N 2 1 286.419 2.179 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000906517770 636765070 /nfs/dbraw/zinc/76/50/70/636765070.db2.gz PQIZCKUETKSELK-XYPYZODXSA-N 2 1 262.250 2.424 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC[NH+](CC)CC2)C1 ZINC000906521239 636766748 /nfs/dbraw/zinc/76/67/48/636766748.db2.gz TWQCJOWHKKQRDC-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)C)C1 ZINC000906564930 636791681 /nfs/dbraw/zinc/79/16/81/636791681.db2.gz BXJBNXSEZUBTNI-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000907614587 637078471 /nfs/dbraw/zinc/07/84/71/637078471.db2.gz ORNDJROVWFIVRE-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000909020855 637581845 /nfs/dbraw/zinc/58/18/45/637581845.db2.gz QUSRYZKKKGSXTL-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCc2ccccc21 ZINC000909089133 637600410 /nfs/dbraw/zinc/60/04/10/637600410.db2.gz UTJPZQFPDBFFBN-DOTOQJQBSA-N 2 1 274.408 2.062 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCc2ccccc21 ZINC000909089133 637600415 /nfs/dbraw/zinc/60/04/15/637600415.db2.gz UTJPZQFPDBFFBN-DOTOQJQBSA-N 2 1 274.408 2.062 20 0 CEADMP CN(Cc1cc2c(cc[nH]c2=O)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000876598361 650353893 /nfs/dbraw/zinc/35/38/93/650353893.db2.gz UZIWXPWHQAWLOQ-LBPRGKRZSA-N 2 1 289.379 2.307 20 0 CEADMP C[N@H+]1CCC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000909914648 637779223 /nfs/dbraw/zinc/77/92/23/637779223.db2.gz OQIZPMIYYSHPON-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000834646566 637902347 /nfs/dbraw/zinc/90/23/47/637902347.db2.gz GNRYWQHHUICWNA-GJZGRUSLSA-N 2 1 283.460 2.084 20 0 CEADMP Cc1nn(C)c(Cl)c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000835063499 638044677 /nfs/dbraw/zinc/04/46/77/638044677.db2.gz ZKZPBIJYSQPDJY-UHFFFAOYSA-N 2 1 284.835 2.346 20 0 CEADMP CN(C(=O)[C@H]1CC[N@H+]1C(C)(C)C)C(C)(C)C[NH+]1CCCC1 ZINC000910935227 638179913 /nfs/dbraw/zinc/17/99/13/638179913.db2.gz GXPYKRSPJNQQFR-CQSZACIVSA-N 2 1 295.471 2.192 20 0 CEADMP c1cnc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000226826084 639566684 /nfs/dbraw/zinc/56/66/84/639566684.db2.gz QHNOMKXCEWXJSC-KFWWJZLASA-N 2 1 257.381 2.285 20 0 CEADMP c1cnc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000226826084 639566687 /nfs/dbraw/zinc/56/66/87/639566687.db2.gz QHNOMKXCEWXJSC-KFWWJZLASA-N 2 1 257.381 2.285 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000227804963 639605595 /nfs/dbraw/zinc/60/55/95/639605595.db2.gz ATOXBAHXRDUMGV-HBNTYKKESA-N 2 1 250.308 2.388 20 0 CEADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CCCCCCC1 ZINC000841007376 639616014 /nfs/dbraw/zinc/61/60/14/639616014.db2.gz QCNHNSDJZIHRHK-OAHLLOKOSA-N 2 1 295.471 2.228 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841029601 639621578 /nfs/dbraw/zinc/62/15/78/639621578.db2.gz GJZZBKHULWHSCK-FVCCEPFGSA-N 2 1 274.499 2.473 20 0 CEADMP CC(C)(C)NC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000228335543 639631403 /nfs/dbraw/zinc/63/14/03/639631403.db2.gz BSOBFTVESJMHLS-ZIAGYGMSSA-N 2 1 275.396 2.026 20 0 CEADMP C[C@H](C[NH2+]C[C@H](O)c1c(F)cccc1F)C[NH+]1CCCC1 ZINC000062071664 639735765 /nfs/dbraw/zinc/73/57/65/639735765.db2.gz BIYWAGJORUUMTF-DOMZBBRYSA-N 2 1 298.377 2.320 20 0 CEADMP Cc1cc(C)cc([C@@H](O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000173744928 639875082 /nfs/dbraw/zinc/87/50/82/639875082.db2.gz KRLOAGYCLSMRGU-WBVHZDCISA-N 2 1 276.424 2.220 20 0 CEADMP C[N@H+](CCO[NH+]=C(N)C1CCOCC1)Cc1ccccc1 ZINC000842030126 639924834 /nfs/dbraw/zinc/92/48/34/639924834.db2.gz RFXJOKVIIUIIFA-UHFFFAOYSA-N 2 1 291.395 2.043 20 0 CEADMP C[N@@H+](CCO[NH+]=C(N)C1CCOCC1)Cc1ccccc1 ZINC000842030126 639924838 /nfs/dbraw/zinc/92/48/38/639924838.db2.gz RFXJOKVIIUIIFA-UHFFFAOYSA-N 2 1 291.395 2.043 20 0 CEADMP C[N@@H+](CCON=C(N)Cc1cccnc1)Cc1ccccc1 ZINC000842035157 639926615 /nfs/dbraw/zinc/92/66/15/639926615.db2.gz DOYYGFILENDPSN-UHFFFAOYSA-N 2 1 298.390 2.255 20 0 CEADMP CN(CCON=C(N)Cc1cccnc1)Cc1ccccc1 ZINC000842035157 639926617 /nfs/dbraw/zinc/92/66/17/639926617.db2.gz DOYYGFILENDPSN-UHFFFAOYSA-N 2 1 298.390 2.255 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000382282788 640037456 /nfs/dbraw/zinc/03/74/56/640037456.db2.gz DQESKPGIYAHLLO-GDBMZVCRSA-N 2 1 264.413 2.347 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000382282788 640037467 /nfs/dbraw/zinc/03/74/67/640037467.db2.gz DQESKPGIYAHLLO-GDBMZVCRSA-N 2 1 264.413 2.347 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCOCC2(CCOCC2)C1 ZINC000842478687 640077579 /nfs/dbraw/zinc/07/75/79/640077579.db2.gz MYGJJUFFGNDTST-UHFFFAOYSA-N 2 1 284.444 2.025 20 0 CEADMP Cc1cccc([C@H](O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000929783709 640200098 /nfs/dbraw/zinc/20/00/98/640200098.db2.gz YTXIZPRDEXJJJC-DJIMGWMZSA-N 2 1 276.424 2.443 20 0 CEADMP Cc1cccc([C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000929783709 640200102 /nfs/dbraw/zinc/20/01/02/640200102.db2.gz YTXIZPRDEXJJJC-DJIMGWMZSA-N 2 1 276.424 2.443 20 0 CEADMP Cc1cccc([C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000929783709 640200105 /nfs/dbraw/zinc/20/01/05/640200105.db2.gz YTXIZPRDEXJJJC-DJIMGWMZSA-N 2 1 276.424 2.443 20 0 CEADMP Cc1cccc([C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000929783709 640200108 /nfs/dbraw/zinc/20/01/08/640200108.db2.gz YTXIZPRDEXJJJC-DJIMGWMZSA-N 2 1 276.424 2.443 20 0 CEADMP Cc1cccc([C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000929783709 640200111 /nfs/dbraw/zinc/20/01/11/640200111.db2.gz YTXIZPRDEXJJJC-DJIMGWMZSA-N 2 1 276.424 2.443 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2N)CC[N@@H+]1C ZINC000877070529 650559019 /nfs/dbraw/zinc/55/90/19/650559019.db2.gz PFLRLYRLIAVFEZ-PWSUYJOCSA-N 2 1 267.804 2.495 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2N)CC[N@H+]1C ZINC000877070529 650559024 /nfs/dbraw/zinc/55/90/24/650559024.db2.gz PFLRLYRLIAVFEZ-PWSUYJOCSA-N 2 1 267.804 2.495 20 0 CEADMP c1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc2c1COC2 ZINC000843044188 640249390 /nfs/dbraw/zinc/24/93/90/640249390.db2.gz XEJHYEGWRWRWKF-UHFFFAOYSA-N 2 1 272.392 2.433 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+](C2CC2)C2CC[NH2+]CC2)CCO1 ZINC000843044127 640249709 /nfs/dbraw/zinc/24/97/09/640249709.db2.gz UMFRAYVCOJXMJC-CZUORRHYSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H](O)c1ncc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000843125533 640291928 /nfs/dbraw/zinc/29/19/28/640291928.db2.gz XVSXZYPLBPJSTG-AVGNSLFASA-N 2 1 295.452 2.018 20 0 CEADMP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@H](C[NH3+])C3)c2cc1C ZINC000843348250 640398528 /nfs/dbraw/zinc/39/85/28/640398528.db2.gz IPDKFYGBRIGELK-CYBMUJFWSA-N 2 1 286.375 2.190 20 0 CEADMP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@H](C[NH3+])C3)c2cc1C ZINC000843348250 640398531 /nfs/dbraw/zinc/39/85/31/640398531.db2.gz IPDKFYGBRIGELK-CYBMUJFWSA-N 2 1 286.375 2.190 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000843357524 640401420 /nfs/dbraw/zinc/40/14/20/640401420.db2.gz QWIYYWWPCCPZHN-AWEZNQCLSA-N 2 1 298.814 2.159 20 0 CEADMP O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000843358282 640402603 /nfs/dbraw/zinc/40/26/03/640402603.db2.gz LQRQHWTZIFLLMP-BHYGNILZSA-N 2 1 274.408 2.184 20 0 CEADMP OCCCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843387608 640413018 /nfs/dbraw/zinc/41/30/18/640413018.db2.gz VKVZABMYFVXGMC-CVEARBPZSA-N 2 1 268.445 2.251 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843386850 640413723 /nfs/dbraw/zinc/41/37/23/640413723.db2.gz OPOYARWJPXFTMW-JKSUJKDBSA-N 2 1 296.455 2.431 20 0 CEADMP c1c[nH]c([C@@H]2CCC[N@@H+]2CCCC2CC[NH2+]CC2)n1 ZINC000843389730 640414608 /nfs/dbraw/zinc/41/46/08/640414608.db2.gz PMZQYWNVLOVEKC-AWEZNQCLSA-N 2 1 262.401 2.326 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)n(C)n1 ZINC000844926390 640868191 /nfs/dbraw/zinc/86/81/91/640868191.db2.gz ZFSVXJMXFJDGOP-LLVKDONJSA-N 2 1 276.359 2.177 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@](C)(O)c1ccccc1 ZINC000846044832 641162655 /nfs/dbraw/zinc/16/26/55/641162655.db2.gz QKIOAOMTPWVNOP-RDTXWAMCSA-N 2 1 288.435 2.499 20 0 CEADMP CCCCNC(=O)[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846217649 641225905 /nfs/dbraw/zinc/22/59/05/641225905.db2.gz GUQXCXDBEMYAQC-HNNXBMFYSA-N 2 1 283.460 2.134 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000846220942 641228323 /nfs/dbraw/zinc/22/83/23/641228323.db2.gz FCHXALQWLCBGJE-UHFFFAOYSA-N 2 1 281.366 2.076 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCC[NH3+])[C@H](C)C1 ZINC000846220624 641228495 /nfs/dbraw/zinc/22/84/95/641228495.db2.gz SFDNAPIZCYKPTQ-HUUCEWRRSA-N 3 1 255.450 2.168 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCC[NH3+])[C@H](C)C1 ZINC000846220624 641228502 /nfs/dbraw/zinc/22/85/02/641228502.db2.gz SFDNAPIZCYKPTQ-HUUCEWRRSA-N 3 1 255.450 2.168 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCC[NH3+])[C@H](C)C1 ZINC000846220624 641228507 /nfs/dbraw/zinc/22/85/07/641228507.db2.gz SFDNAPIZCYKPTQ-HUUCEWRRSA-N 3 1 255.450 2.168 20 0 CEADMP CCN1CC[C@@H]([N@H+](C)CCCCCC[NH3+])[C@H](C)C1 ZINC000846220624 641228513 /nfs/dbraw/zinc/22/85/13/641228513.db2.gz SFDNAPIZCYKPTQ-HUUCEWRRSA-N 2 1 255.450 2.168 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CCCCCC[NH3+])[C@H](C)C1 ZINC000846220624 641228521 /nfs/dbraw/zinc/22/85/21/641228521.db2.gz SFDNAPIZCYKPTQ-HUUCEWRRSA-N 2 1 255.450 2.168 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000070074688 641629148 /nfs/dbraw/zinc/62/91/48/641629148.db2.gz CNUWHGTVDWWXTE-HOCLYGCPSA-N 2 1 284.407 2.432 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000070074688 641629150 /nfs/dbraw/zinc/62/91/50/641629150.db2.gz CNUWHGTVDWWXTE-HOCLYGCPSA-N 2 1 284.407 2.432 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000070150042 641636752 /nfs/dbraw/zinc/63/67/52/641636752.db2.gz YBDFQXCXGQPVRX-ZDUSSCGKSA-N 2 1 293.386 2.358 20 0 CEADMP Cn1c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cnc1Cl ZINC000848526055 642033309 /nfs/dbraw/zinc/03/33/09/642033309.db2.gz VDHMHASKAHGSKA-UHFFFAOYSA-N 2 1 284.835 2.472 20 0 CEADMP [NH3+]CCCCCCC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000848600686 642073214 /nfs/dbraw/zinc/07/32/14/642073214.db2.gz ICYJMXHFDGLWKM-UHFFFAOYSA-N 2 1 275.396 2.350 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000848600686 642073221 /nfs/dbraw/zinc/07/32/21/642073221.db2.gz ICYJMXHFDGLWKM-UHFFFAOYSA-N 2 1 275.396 2.350 20 0 CEADMP CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1(C)C ZINC000996677594 642127227 /nfs/dbraw/zinc/12/72/27/642127227.db2.gz WANCZGFAHZLQRS-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)CCCOC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848776526 642138340 /nfs/dbraw/zinc/13/83/40/642138340.db2.gz JAZDPUSYNPNMEW-INIZCTEOSA-N 2 1 290.407 2.003 20 0 CEADMP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCC1)c1ccccc1 ZINC000848981568 642203798 /nfs/dbraw/zinc/20/37/98/642203798.db2.gz VDDVSROWIMHKJL-OAHLLOKOSA-N 2 1 274.412 2.300 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=[NH2+])NC1CCC1 ZINC000848989242 642211163 /nfs/dbraw/zinc/21/11/63/642211163.db2.gz IRLKYXROBNVLSV-CYBMUJFWSA-N 2 1 266.433 2.307 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=[NH2+])NC2CCC2)C1 ZINC000848989973 642211262 /nfs/dbraw/zinc/21/12/62/642211262.db2.gz PCQYAYNEUSVFLG-ZDUSSCGKSA-N 2 1 266.433 2.165 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000848999085 642218409 /nfs/dbraw/zinc/21/84/09/642218409.db2.gz OICFSEVBJYDVNM-AWEZNQCLSA-N 2 1 266.433 2.260 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)cc2C)C1 ZINC000921547643 642227786 /nfs/dbraw/zinc/22/77/86/642227786.db2.gz MINJETIVKBSYIL-CQSZACIVSA-N 2 1 262.397 2.435 20 0 CEADMP CC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCCC(C)(C)C1 ZINC000849023040 642236444 /nfs/dbraw/zinc/23/64/44/642236444.db2.gz HGJUBDCKTYXWSU-GFCCVEGCSA-N 2 1 254.422 2.021 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1 ZINC000849027908 642241509 /nfs/dbraw/zinc/24/15/09/642241509.db2.gz QJSNSSFBFRHKCY-INIZCTEOSA-N 2 1 288.439 2.483 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNCc2ccnn2C2CCC2)C1 ZINC000921617640 642257720 /nfs/dbraw/zinc/25/77/20/642257720.db2.gz DMDPJGSXIWILEE-CQSZACIVSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921617640 642257722 /nfs/dbraw/zinc/25/77/22/642257722.db2.gz DMDPJGSXIWILEE-CQSZACIVSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921617640 642257723 /nfs/dbraw/zinc/25/77/23/642257723.db2.gz DMDPJGSXIWILEE-CQSZACIVSA-N 2 1 276.428 2.428 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC1C(C)(C)C1(C)C ZINC000849096769 642261545 /nfs/dbraw/zinc/26/15/45/642261545.db2.gz SNDCIWULCDGSAS-LLVKDONJSA-N 2 1 266.433 2.019 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921624592 642285409 /nfs/dbraw/zinc/28/54/09/642285409.db2.gz KHRUZXIBCXDRKP-LBPRGKRZSA-N 2 1 289.379 2.355 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921624592 642285410 /nfs/dbraw/zinc/28/54/10/642285410.db2.gz KHRUZXIBCXDRKP-LBPRGKRZSA-N 2 1 289.379 2.355 20 0 CEADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000877506245 650755775 /nfs/dbraw/zinc/75/57/75/650755775.db2.gz SBFLDKVQFCTLLO-MGPQQGTHSA-N 2 1 299.459 2.362 20 0 CEADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000877506245 650755778 /nfs/dbraw/zinc/75/57/78/650755778.db2.gz SBFLDKVQFCTLLO-MGPQQGTHSA-N 2 1 299.459 2.362 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3nccs3)C2)CC1 ZINC000685463162 642571005 /nfs/dbraw/zinc/57/10/05/642571005.db2.gz UISOGYIACLSQCK-ZDUSSCGKSA-N 2 1 265.426 2.307 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@]2(C)CC2(F)F)s1 ZINC000850379368 642690655 /nfs/dbraw/zinc/69/06/55/642690655.db2.gz MVGXVOBKVBBJQN-NSHDSACASA-N 2 1 275.368 2.340 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)[C@@H]2CCC[C@H]21 ZINC000850523142 642739750 /nfs/dbraw/zinc/73/97/50/642739750.db2.gz ARBPNIMEHLSLRV-ZQDZILKHSA-N 2 1 264.413 2.160 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2C[C@@H](O)c3ccccc32)CC[N@H+]1C ZINC000850526369 642742460 /nfs/dbraw/zinc/74/24/60/642742460.db2.gz BOQDSSJSRTYCSK-CZPYZCIJSA-N 2 1 260.381 2.237 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](O)c3ccccc32)CCN1C ZINC000850526369 642742464 /nfs/dbraw/zinc/74/24/64/642742464.db2.gz BOQDSSJSRTYCSK-CZPYZCIJSA-N 2 1 260.381 2.237 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](O)c3ccccc32)CC[N@@H+]1C ZINC000850526369 642742467 /nfs/dbraw/zinc/74/24/67/642742467.db2.gz BOQDSSJSRTYCSK-CZPYZCIJSA-N 2 1 260.381 2.237 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](O)c3ccccc32)CC[N@H+]1C ZINC000850526369 642742472 /nfs/dbraw/zinc/74/24/72/642742472.db2.gz BOQDSSJSRTYCSK-CZPYZCIJSA-N 2 1 260.381 2.237 20 0 CEADMP c1n[nH]c2c1[C@@H]([NH2+]CC1CC[NH+](CC3CC3)CC1)CCC2 ZINC000850584436 642758372 /nfs/dbraw/zinc/75/83/72/642758372.db2.gz RUAHOKKBOAQXEL-INIZCTEOSA-N 2 1 288.439 2.499 20 0 CEADMP C[C@H](CC[NH2+]Cc1c2c(nn1C)CCC2)[NH+]1CCCCC1 ZINC000921989564 642828419 /nfs/dbraw/zinc/82/84/19/642828419.db2.gz GATVXYMXJMKLFW-CQSZACIVSA-N 2 1 290.455 2.263 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000922181025 642939075 /nfs/dbraw/zinc/93/90/75/642939075.db2.gz KOIAWOOSGGDPDR-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP O[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877597681 650808189 /nfs/dbraw/zinc/80/81/89/650808189.db2.gz UTOZFJRGTMDPFZ-DZOHQFGASA-N 2 1 286.419 2.467 20 0 CEADMP O[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877597681 650808191 /nfs/dbraw/zinc/80/81/91/650808191.db2.gz UTOZFJRGTMDPFZ-DZOHQFGASA-N 2 1 286.419 2.467 20 0 CEADMP Cc1ccoc1C[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922388272 643056183 /nfs/dbraw/zinc/05/61/83/643056183.db2.gz OKRQKTHBOFYZNN-JHNDHUHGSA-N 2 1 292.423 2.157 20 0 CEADMP COC(CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)OC ZINC000851751217 643146595 /nfs/dbraw/zinc/14/65/95/643146595.db2.gz PGAFVOSUGAJXON-UHFFFAOYSA-N 2 1 272.433 2.048 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2COC(C)(C)O2)C[C@@H]1C ZINC000851797887 643168418 /nfs/dbraw/zinc/16/84/18/643168418.db2.gz XCKQSCJXZZJTNT-KKUMJFAQSA-N 2 1 284.444 2.333 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2COC(C)(C)O2)C[C@@H]1C ZINC000851797887 643168420 /nfs/dbraw/zinc/16/84/20/643168420.db2.gz XCKQSCJXZZJTNT-KKUMJFAQSA-N 2 1 284.444 2.333 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2COC(C)(C)O2)C[C@@H]1C ZINC000851797887 643168424 /nfs/dbraw/zinc/16/84/24/643168424.db2.gz XCKQSCJXZZJTNT-KKUMJFAQSA-N 2 1 284.444 2.333 20 0 CEADMP CN(C)[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(F)(F)F ZINC000922750552 643239736 /nfs/dbraw/zinc/23/97/36/643239736.db2.gz AQCGDKUCIWCLFZ-VXGBXAGGSA-N 2 1 295.393 2.331 20 0 CEADMP ClC1(Cl)C[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000877636053 650826507 /nfs/dbraw/zinc/82/65/07/650826507.db2.gz LGHBRRFRTBGEHC-CMPLNLGQSA-N 2 1 293.238 2.023 20 0 CEADMP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001005186190 643393314 /nfs/dbraw/zinc/39/33/14/643393314.db2.gz YAIRXAABOROPPV-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1ccc(NCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)nc1 ZINC000922923390 643454110 /nfs/dbraw/zinc/45/41/10/643454110.db2.gz BTFYJTMSAMIRPQ-AWEZNQCLSA-N 2 1 276.428 2.264 20 0 CEADMP COC[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)C ZINC000922946515 643472491 /nfs/dbraw/zinc/47/24/91/643472491.db2.gz JZSQRSAYJLZLSH-LBPRGKRZSA-N 2 1 285.457 2.213 20 0 CEADMP COc1cccc(SCC[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000852743469 643529457 /nfs/dbraw/zinc/52/94/57/643529457.db2.gz DALUYMHHUAYZLH-CYBMUJFWSA-N 2 1 280.437 2.458 20 0 CEADMP CO[C@@H](C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CCCCC1 ZINC000852751307 643536236 /nfs/dbraw/zinc/53/62/36/643536236.db2.gz WTVCBHLJENGWJI-HOTGVXAUSA-N 2 1 266.429 2.410 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)C1CCCCC1 ZINC000852751307 643536241 /nfs/dbraw/zinc/53/62/41/643536241.db2.gz WTVCBHLJENGWJI-HOTGVXAUSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H](CO)[C@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000852754532 643537729 /nfs/dbraw/zinc/53/77/29/643537729.db2.gz DTTUBZROMQZSTO-HUUCEWRRSA-N 2 1 256.434 2.379 20 0 CEADMP [NH3+]CCCCCCC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000852927800 643600411 /nfs/dbraw/zinc/60/04/11/643600411.db2.gz RBNFOISLBFYXJH-INIZCTEOSA-N 2 1 295.471 2.134 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC1SCCS1 ZINC000853023197 643624763 /nfs/dbraw/zinc/62/47/63/643624763.db2.gz PMEGTKJQGGNRPJ-MNOVXSKESA-N 2 1 260.472 2.384 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC1SCCS1 ZINC000853023197 643624766 /nfs/dbraw/zinc/62/47/66/643624766.db2.gz PMEGTKJQGGNRPJ-MNOVXSKESA-N 2 1 260.472 2.384 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923281655 643638153 /nfs/dbraw/zinc/63/81/53/643638153.db2.gz QUVULAPWDUKRQE-QFBILLFUSA-N 2 1 298.430 2.414 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000923289848 643643430 /nfs/dbraw/zinc/64/34/30/643643430.db2.gz UABGALPRUKTKBB-NIKGAXFTSA-N 2 1 298.430 2.412 20 0 CEADMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000923300298 643645146 /nfs/dbraw/zinc/64/51/46/643645146.db2.gz QOUDTSRNYXGZEC-KBPBESRZSA-N 2 1 288.794 2.476 20 0 CEADMP COc1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923300851 643649348 /nfs/dbraw/zinc/64/93/48/643649348.db2.gz LQPFQCLHIVQULG-CJNGLKHVSA-N 2 1 290.407 2.067 20 0 CEADMP C[N@H+](Cc1cc(Cl)cc(Cl)c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923306152 643652062 /nfs/dbraw/zinc/65/20/62/643652062.db2.gz HMFSVVFDJBFMFB-AVGNSLFASA-N 2 1 289.206 2.276 20 0 CEADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923306152 643652064 /nfs/dbraw/zinc/65/20/64/643652064.db2.gz HMFSVVFDJBFMFB-AVGNSLFASA-N 2 1 289.206 2.276 20 0 CEADMP CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923305952 643652351 /nfs/dbraw/zinc/65/23/51/643652351.db2.gz NAXLATBRTXVBLA-TZMCWYRMSA-N 2 1 292.448 2.436 20 0 CEADMP c1ccn2c(c1)nnc2[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923320314 643661221 /nfs/dbraw/zinc/66/12/21/643661221.db2.gz WSKJXPWPEQUAFJ-AWEZNQCLSA-N 2 1 299.422 2.051 20 0 CEADMP c1ccn2c(c1)nnc2[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923320314 643661227 /nfs/dbraw/zinc/66/12/27/643661227.db2.gz WSKJXPWPEQUAFJ-AWEZNQCLSA-N 2 1 299.422 2.051 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923329527 643661417 /nfs/dbraw/zinc/66/14/17/643661417.db2.gz VLXQIXAWHGGBLX-PMPSAXMXSA-N 2 1 268.445 2.248 20 0 CEADMP CN1CC[N@H+](CCC[NH2+]C2CC2)Cc2ccccc21 ZINC000923324287 643663553 /nfs/dbraw/zinc/66/35/53/643663553.db2.gz RZEACJCMPYJCGO-UHFFFAOYSA-N 2 1 259.397 2.081 20 0 CEADMP CN1CC[N@@H+](CCC[NH2+]C2CC2)Cc2ccccc21 ZINC000923324287 643663555 /nfs/dbraw/zinc/66/35/55/643663555.db2.gz RZEACJCMPYJCGO-UHFFFAOYSA-N 2 1 259.397 2.081 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923325114 643663824 /nfs/dbraw/zinc/66/38/24/643663824.db2.gz ACZYVMGBKUJMSG-GOSISDBHSA-N 2 1 287.451 2.335 20 0 CEADMP CC[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000923334997 643667128 /nfs/dbraw/zinc/66/71/28/643667128.db2.gz HSKHSLTWZQUPMQ-CZUORRHYSA-N 2 1 298.377 2.462 20 0 CEADMP CCc1ncc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)o1 ZINC000923335608 643668113 /nfs/dbraw/zinc/66/81/13/643668113.db2.gz NSVPRFNVWVEWRS-LBPRGKRZSA-N 2 1 251.374 2.201 20 0 CEADMP CCc1ncc(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)o1 ZINC000923335608 643668116 /nfs/dbraw/zinc/66/81/16/643668116.db2.gz NSVPRFNVWVEWRS-LBPRGKRZSA-N 2 1 251.374 2.201 20 0 CEADMP O[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000923364205 643679778 /nfs/dbraw/zinc/67/97/78/643679778.db2.gz JMAAEOZXRHCGLP-DJIMGWMZSA-N 2 1 292.398 2.323 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000923363484 643680136 /nfs/dbraw/zinc/68/01/36/643680136.db2.gz ZJAQZRKAXDXWHF-YESZJQIVSA-N 2 1 274.408 2.042 20 0 CEADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000923382355 643688468 /nfs/dbraw/zinc/68/84/68/643688468.db2.gz ODVXMUSECPXJSE-MCIONIFRSA-N 2 1 286.778 2.372 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000923381882 643688708 /nfs/dbraw/zinc/68/87/08/643688708.db2.gz HMRHBCQWQITEAV-DDFXLWFNSA-N 2 1 298.377 2.303 20 0 CEADMP CC(C)OCC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000923390530 643690586 /nfs/dbraw/zinc/69/05/86/643690586.db2.gz SWPAFLCMZSKLRL-OWCLPIDISA-N 2 1 286.460 2.002 20 0 CEADMP C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000923428386 643707059 /nfs/dbraw/zinc/70/70/59/643707059.db2.gz PHXXTUZJZRYBDP-WTXIUTQJSA-N 2 1 277.456 2.171 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923428648 643707179 /nfs/dbraw/zinc/70/71/79/643707179.db2.gz YHRFQTMGWKAURD-MQVJKMGUSA-N 3 1 267.461 2.358 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2OC)[C@@H](C)C1 ZINC000853237985 643718179 /nfs/dbraw/zinc/71/81/79/643718179.db2.gz KFXINQQGKWKRFM-NUEKZKHPSA-N 2 1 292.423 2.049 20 0 CEADMP CCCCc1noc([C@@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000923487338 643729781 /nfs/dbraw/zinc/72/97/81/643729781.db2.gz ZUHVCXQCMNDPNI-VXGBXAGGSA-N 2 1 266.389 2.144 20 0 CEADMP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479811 643730911 /nfs/dbraw/zinc/73/09/11/643730911.db2.gz STDXNQPQRSTPIV-ZBFHGGJFSA-N 2 1 289.423 2.383 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC[C@@H]1C[NH3+] ZINC000923499042 643740619 /nfs/dbraw/zinc/74/06/19/643740619.db2.gz QKEKPVSKCWCZQD-ZYHUDNBSSA-N 2 1 254.324 2.382 20 0 CEADMP COC[C@H](C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)C(C)C ZINC000923531147 643752674 /nfs/dbraw/zinc/75/26/74/643752674.db2.gz PPGHXECESRXLCD-LSDHHAIUSA-N 2 1 254.418 2.123 20 0 CEADMP COC[C@H](C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)C(C)C ZINC000923531145 643753464 /nfs/dbraw/zinc/75/34/64/643753464.db2.gz PPGHXECESRXLCD-GJZGRUSLSA-N 2 1 254.418 2.123 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCOc2ccccc2[C@H]1CO ZINC000923555322 643760976 /nfs/dbraw/zinc/76/09/76/643760976.db2.gz VKELGPRPOKGHSZ-MRXNPFEDSA-N 2 1 292.423 2.324 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)n(C)n1 ZINC000840810040 643871057 /nfs/dbraw/zinc/87/10/57/643871057.db2.gz NSFYUESVHHRLDB-ZIAGYGMSSA-N 2 1 264.417 2.111 20 0 CEADMP O[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000854229617 644017649 /nfs/dbraw/zinc/01/76/49/644017649.db2.gz SJTGOXHGFFUAQJ-VXLXYSCASA-N 2 1 258.365 2.037 20 0 CEADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H]1C[C@]12CCOC2 ZINC000886286670 644249839 /nfs/dbraw/zinc/24/98/39/644249839.db2.gz AABRFPDVKKAIDX-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H]1C[C@]12CCOC2 ZINC000886286670 644249843 /nfs/dbraw/zinc/24/98/43/644249843.db2.gz AABRFPDVKKAIDX-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnc(N(C)C)c2)C[C@H]1C ZINC000754050638 644316095 /nfs/dbraw/zinc/31/60/95/644316095.db2.gz PMAKUKAOSRECPN-ZBFHGGJFSA-N 2 1 290.455 2.452 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnc(N(C)C)c2)C[C@H]1C ZINC000754050638 644316101 /nfs/dbraw/zinc/31/61/01/644316101.db2.gz PMAKUKAOSRECPN-ZBFHGGJFSA-N 2 1 290.455 2.452 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnc(N(C)C)c2)C[C@H]1C ZINC000754050638 644316104 /nfs/dbraw/zinc/31/61/04/644316104.db2.gz PMAKUKAOSRECPN-ZBFHGGJFSA-N 2 1 290.455 2.452 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnc(N(C)C)c2)C[C@H]1C ZINC000754050638 644316111 /nfs/dbraw/zinc/31/61/11/644316111.db2.gz PMAKUKAOSRECPN-ZBFHGGJFSA-N 2 1 290.455 2.452 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](C)C1 ZINC000855360123 644316492 /nfs/dbraw/zinc/31/64/92/644316492.db2.gz CCCAJMIRSLEPLS-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000855360123 644316499 /nfs/dbraw/zinc/31/64/99/644316499.db2.gz CCCAJMIRSLEPLS-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@@H+](C)C1 ZINC000855360123 644316503 /nfs/dbraw/zinc/31/65/03/644316503.db2.gz CCCAJMIRSLEPLS-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP C[C@H]([NH2+]CCC1OCCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754466943 644377766 /nfs/dbraw/zinc/37/77/66/644377766.db2.gz YZGJCAOZXBPHNP-GJZGRUSLSA-N 2 1 296.455 2.382 20 0 CEADMP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CO2 ZINC000754785805 644430497 /nfs/dbraw/zinc/43/04/97/644430497.db2.gz ONDGGANMYOQZKW-OIISXLGYSA-N 2 1 286.419 2.454 20 0 CEADMP Clc1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000754796284 644431508 /nfs/dbraw/zinc/43/15/08/644431508.db2.gz VDLMFXTWKKGDFJ-KGLIPLIRSA-N 2 1 279.815 2.494 20 0 CEADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C(C)C)C2)ccn1 ZINC000856594421 644695591 /nfs/dbraw/zinc/69/55/91/644695591.db2.gz VRFNDWQUTYIFJT-INIZCTEOSA-N 2 1 277.412 2.395 20 0 CEADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C(C)C)C2)ccn1 ZINC000856594421 644695594 /nfs/dbraw/zinc/69/55/94/644695594.db2.gz VRFNDWQUTYIFJT-INIZCTEOSA-N 2 1 277.412 2.395 20 0 CEADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C(C)C)C2)ccn1 ZINC000856594421 644695596 /nfs/dbraw/zinc/69/55/96/644695596.db2.gz VRFNDWQUTYIFJT-INIZCTEOSA-N 2 1 277.412 2.395 20 0 CEADMP CC(C)[C@H](O)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000877971896 650963299 /nfs/dbraw/zinc/96/32/99/650963299.db2.gz SDUFWFCXDXFMEY-MRXNPFEDSA-N 2 1 268.445 2.344 20 0 CEADMP COc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858092932 645057857 /nfs/dbraw/zinc/05/78/57/645057857.db2.gz NRDJPSKWHYJNQR-GDBMZVCRSA-N 2 1 292.423 2.191 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2F)CC1(C)C ZINC000858105533 645062618 /nfs/dbraw/zinc/06/26/18/645062618.db2.gz PWFXWSBYXGFUGC-WFASDCNBSA-N 2 1 280.387 2.322 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2F)CC1(C)C ZINC000858105533 645062622 /nfs/dbraw/zinc/06/26/22/645062622.db2.gz PWFXWSBYXGFUGC-WFASDCNBSA-N 2 1 280.387 2.322 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(F)c2)CC1(C)C ZINC000858110257 645064592 /nfs/dbraw/zinc/06/45/92/645064592.db2.gz OFACBJFLWOTDBQ-GJZGRUSLSA-N 2 1 280.387 2.322 20 0 CEADMP C[N@H+]1CC[C@H](NCc2ccnc(-n3ccnc3)c2)CC1(C)C ZINC000858113964 645065990 /nfs/dbraw/zinc/06/59/90/645065990.db2.gz RGWVEDNRNUEGBZ-HNNXBMFYSA-N 2 1 299.422 2.230 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(-n3ccnc3)c2)CC1(C)C ZINC000858113964 645065994 /nfs/dbraw/zinc/06/59/94/645065994.db2.gz RGWVEDNRNUEGBZ-HNNXBMFYSA-N 2 1 299.422 2.230 20 0 CEADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C)C(C)(C)C1)C(C)C ZINC000858123437 645069562 /nfs/dbraw/zinc/06/95/62/645069562.db2.gz YOGPLEMZKUIZMT-CQSZACIVSA-N 2 1 255.450 2.179 20 0 CEADMP CC[NH+](CCN[C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000858123437 645069567 /nfs/dbraw/zinc/06/95/67/645069567.db2.gz YOGPLEMZKUIZMT-CQSZACIVSA-N 2 1 255.450 2.179 20 0 CEADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000858123437 645069574 /nfs/dbraw/zinc/06/95/74/645069574.db2.gz YOGPLEMZKUIZMT-CQSZACIVSA-N 2 1 255.450 2.179 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2ccccc2)CC1(C)C ZINC000858137250 645071521 /nfs/dbraw/zinc/07/15/21/645071521.db2.gz KPTGZMGMGMKBTK-DOTOQJQBSA-N 2 1 276.424 2.357 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858160237 645078603 /nfs/dbraw/zinc/07/86/03/645078603.db2.gz FRSCGFJIQHLXRA-QWHCGFSZSA-N 2 1 299.459 2.362 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccnc(F)c2)C1 ZINC000858177052 645081768 /nfs/dbraw/zinc/08/17/68/645081768.db2.gz GWPNEVDFGUYKMR-LBPRGKRZSA-N 2 1 251.349 2.042 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2COC3(CCC3)C2)CC1(C)C ZINC000858189089 645083522 /nfs/dbraw/zinc/08/35/22/645083522.db2.gz DYQFTAOOTQFWIO-QWHCGFSZSA-N 2 1 252.402 2.160 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000760758566 645192116 /nfs/dbraw/zinc/19/21/16/645192116.db2.gz QCDLUQCWYWRNIY-MRXNPFEDSA-N 2 1 297.487 2.441 20 0 CEADMP Cn1cncc1CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213018 645422019 /nfs/dbraw/zinc/42/20/19/645422019.db2.gz QHNURSYDDXSHSS-UHFFFAOYSA-N 2 1 286.423 2.156 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC000765937643 645823536 /nfs/dbraw/zinc/82/35/36/645823536.db2.gz UIWYJUVOSNQCFC-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCCCCO ZINC000767450629 645993489 /nfs/dbraw/zinc/99/34/89/645993489.db2.gz RWLAQWILJRDHRV-UHFFFAOYSA-N 2 1 253.390 2.066 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCCCCO ZINC000767450629 645993491 /nfs/dbraw/zinc/99/34/91/645993491.db2.gz RWLAQWILJRDHRV-UHFFFAOYSA-N 2 1 253.390 2.066 20 0 CEADMP C([NH2+][C@@H]1CCCSC1)C1([NH+]2CCCC2)CCOCC1 ZINC000769013842 646192605 /nfs/dbraw/zinc/19/26/05/646192605.db2.gz URTSIUJTVCGQNS-CQSZACIVSA-N 2 1 284.469 2.117 20 0 CEADMP COc1cccc2cc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)oc21 ZINC000770395097 646387600 /nfs/dbraw/zinc/38/76/00/646387600.db2.gz OQYQYZGSDYKGPG-CHWSQXEVSA-N 2 1 272.348 2.093 20 0 CEADMP CN(C)c1cc[nH+]c(NCCC[N@H+](C)Cc2ccccc2)n1 ZINC000770443441 646392525 /nfs/dbraw/zinc/39/25/25/646392525.db2.gz DPJINMGXEARWCK-UHFFFAOYSA-N 2 1 299.422 2.477 20 0 CEADMP CN(C)c1cc[nH+]c(NCCC[N@@H+](C)Cc2ccccc2)n1 ZINC000770443441 646392528 /nfs/dbraw/zinc/39/25/28/646392528.db2.gz DPJINMGXEARWCK-UHFFFAOYSA-N 2 1 299.422 2.477 20 0 CEADMP Cc1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])c(-c2cnn(C)c2)c1 ZINC000863651797 646777322 /nfs/dbraw/zinc/77/73/22/646777322.db2.gz NIJAQSYHWXLUMZ-CYBMUJFWSA-N 2 1 272.396 2.175 20 0 CEADMP Cc1ccc(C[N@H+](C)C[C@@H](C)[NH3+])c(-c2cnn(C)c2)c1 ZINC000863651797 646777326 /nfs/dbraw/zinc/77/73/26/646777326.db2.gz NIJAQSYHWXLUMZ-CYBMUJFWSA-N 2 1 272.396 2.175 20 0 CEADMP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000864059745 646876835 /nfs/dbraw/zinc/87/68/35/646876835.db2.gz PSUKNYXIQIMOMS-CQSZACIVSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864455709 647010613 /nfs/dbraw/zinc/01/06/13/647010613.db2.gz AWAHUHKUNJOPBT-AWEZNQCLSA-N 2 1 266.433 2.021 20 0 CEADMP CC[C@@H]1CCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000864459902 647014837 /nfs/dbraw/zinc/01/48/37/647014837.db2.gz PUTPVVMSTYBQME-CABCVRRESA-N 2 1 280.460 2.221 20 0 CEADMP C[C@@H](CSC(C)(C)C)[NH2+]CCc1c[nH+]cn1C ZINC000776265655 647043976 /nfs/dbraw/zinc/04/39/76/647043976.db2.gz OHCZOJPKJNEYFY-NSHDSACASA-N 2 1 255.431 2.472 20 0 CEADMP CCC[C@@H](C)C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000776351266 647050861 /nfs/dbraw/zinc/05/08/61/647050861.db2.gz QYLUEFCMTQSQKD-OAHLLOKOSA-N 2 1 255.450 2.040 20 0 CEADMP CC[C@@H](C[NH2+]C1CCC(CNC(C)=O)CC1)[NH+]1CCCC1 ZINC000865411638 647280954 /nfs/dbraw/zinc/28/09/54/647280954.db2.gz HMWKYDBRRLTHHJ-JCYILVPMSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(CC3CCC3)c2)C1 ZINC000865528528 647341645 /nfs/dbraw/zinc/34/16/45/647341645.db2.gz JSGGTRMBUSGMJL-GOSISDBHSA-N 2 1 288.435 2.185 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(CC3CCC3)c2)C1 ZINC000865528528 647341652 /nfs/dbraw/zinc/34/16/52/647341652.db2.gz JSGGTRMBUSGMJL-GOSISDBHSA-N 2 1 288.435 2.185 20 0 CEADMP Cc1[nH+]ccn1CCN[C@H]1c2ccccc2OC[C@H]1F ZINC000866251045 647694930 /nfs/dbraw/zinc/69/49/30/647694930.db2.gz MBSXSVOPWUCMFW-HIFRSBDPSA-N 2 1 275.327 2.253 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[C@H]2C)cn1 ZINC000783219927 647695554 /nfs/dbraw/zinc/69/55/54/647695554.db2.gz BTKLNKBYFOUDDJ-RISCZKNCSA-N 2 1 256.353 2.464 20 0 CEADMP Cn1cc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c2cccnc21 ZINC000866574217 647830742 /nfs/dbraw/zinc/83/07/42/647830742.db2.gz SLCJCAXVAZFGEQ-UHFFFAOYSA-N 2 1 298.434 2.332 20 0 CEADMP C[C@H]1CCCC[C@H]1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000784534853 647859681 /nfs/dbraw/zinc/85/96/81/647859681.db2.gz PJJOOTYETOCDFJ-IRXDYDNUSA-N 2 1 281.488 2.430 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)CC(C)(C)C ZINC000866665575 647861539 /nfs/dbraw/zinc/86/15/39/647861539.db2.gz FIRPKRMOIHYUTB-UKRRQHHQSA-N 2 1 293.459 2.446 20 0 CEADMP c1oc(C2CC2)nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000866666276 647861726 /nfs/dbraw/zinc/86/17/26/647861726.db2.gz PAZLLMIFGVDXOR-KGLIPLIRSA-N 2 1 275.396 2.374 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1CCC1SCCS1 ZINC000866697467 647872638 /nfs/dbraw/zinc/87/26/38/647872638.db2.gz QHGULZPFNQFGKE-UHFFFAOYSA-N 2 1 260.472 2.257 20 0 CEADMP CC(C)CCNC(=O)[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704618 647875466 /nfs/dbraw/zinc/87/54/66/647875466.db2.gz OWZWIZFTQQXLNS-WMLDXEAASA-N 2 1 297.487 2.234 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000866704441 647875908 /nfs/dbraw/zinc/87/59/08/647875908.db2.gz UKYFLKRIBXJOHJ-KRWDZBQOSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000866704441 647875914 /nfs/dbraw/zinc/87/59/14/647875914.db2.gz UKYFLKRIBXJOHJ-KRWDZBQOSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCCCCC[NH3+])C1 ZINC000866708553 647877832 /nfs/dbraw/zinc/87/78/32/647877832.db2.gz ROFSTODCWOTIFG-OAHLLOKOSA-N 3 1 255.450 2.202 20 0 CEADMP CC(C)(C)[C@@]1(CN)CC[N@H+](CCCCCC[NH3+])C1 ZINC000866708553 647877835 /nfs/dbraw/zinc/87/78/35/647877835.db2.gz ROFSTODCWOTIFG-OAHLLOKOSA-N 2 1 255.450 2.202 20 0 CEADMP CC(C)(C)[C@@]1(CN)CC[N@@H+](CCCCCC[NH3+])C1 ZINC000866708553 647877837 /nfs/dbraw/zinc/87/78/37/647877837.db2.gz ROFSTODCWOTIFG-OAHLLOKOSA-N 2 1 255.450 2.202 20 0 CEADMP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708578 647877869 /nfs/dbraw/zinc/87/78/69/647877869.db2.gz RUWNBRIMDBFVRZ-SWLSCSKDSA-N 2 1 270.417 2.025 20 0 CEADMP CCOC(=O)[C@H](CC)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708578 647877872 /nfs/dbraw/zinc/87/78/72/647877872.db2.gz RUWNBRIMDBFVRZ-SWLSCSKDSA-N 2 1 270.417 2.025 20 0 CEADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709450 647877928 /nfs/dbraw/zinc/87/79/28/647877928.db2.gz XVEYGMRYNPFBRV-RHSMWYFYSA-N 2 1 295.471 2.084 20 0 CEADMP CCO[C@@H](C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1)C1CC1 ZINC000866709543 647878038 /nfs/dbraw/zinc/87/80/38/647878038.db2.gz RZEASBGVZJKLGZ-HOCLYGCPSA-N 2 1 268.445 2.498 20 0 CEADMP CCOC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000790748593 648443408 /nfs/dbraw/zinc/44/34/08/648443408.db2.gz ZOSRBDOHVRBKPK-VXGQWTEUSA-N 2 1 297.443 2.116 20 0 CEADMP CCOC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000790748593 648443412 /nfs/dbraw/zinc/44/34/12/648443412.db2.gz ZOSRBDOHVRBKPK-VXGQWTEUSA-N 2 1 297.443 2.116 20 0 CEADMP Cc1nc(N(C)CCCCCC[NH3+])c(C)c(C)[nH+]1 ZINC000871665756 649139961 /nfs/dbraw/zinc/13/99/61/649139961.db2.gz GAVGCOWFNFIMRB-UHFFFAOYSA-N 2 1 250.390 2.357 20 0 CEADMP CO[C@@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)CC(C)C ZINC000871784801 649184681 /nfs/dbraw/zinc/18/46/81/649184681.db2.gz MAXMRUTVIBEBBE-JALIKCBVSA-N 2 1 297.443 2.419 20 0 CEADMP CO[C@@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(C)C ZINC000871784801 649184682 /nfs/dbraw/zinc/18/46/82/649184682.db2.gz MAXMRUTVIBEBBE-JALIKCBVSA-N 2 1 297.443 2.419 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000872143345 649292864 /nfs/dbraw/zinc/29/28/64/649292864.db2.gz PCRMHLVYZYSCHQ-FPCVCCKLSA-N 2 1 264.413 2.020 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872144211 649293550 /nfs/dbraw/zinc/29/35/50/649293550.db2.gz XZEJFABXJNFRAF-KBPBESRZSA-N 2 1 252.402 2.006 20 0 CEADMP C[N@@H+](C[C@@H]1CC2(CCC2)CO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000872144125 649293985 /nfs/dbraw/zinc/29/39/85/649293985.db2.gz VFNZNNMHWJOGNB-IXXDHKBRSA-N 2 1 264.413 2.160 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)CO2)[C@@H]1CC[NH3+] ZINC000872144263 649294914 /nfs/dbraw/zinc/29/49/14/649294914.db2.gz DXKAANWNZVFVCU-RBSFLKMASA-N 2 1 266.429 2.395 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1C[C@@H]3CCC[C@H]3O1)CC[NH2+]CC2 ZINC000872145247 649295340 /nfs/dbraw/zinc/29/53/40/649295340.db2.gz QKGXUDYNAVAZCC-FXUDXRNXSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cc(F)cc3cccnc31)C2 ZINC000872153431 649297892 /nfs/dbraw/zinc/29/78/92/649297892.db2.gz ADEUKJOTWDSWEK-WMLDXEAASA-N 2 1 285.366 2.415 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cc(F)cc3cccnc31)C2 ZINC000872153431 649297894 /nfs/dbraw/zinc/29/78/94/649297894.db2.gz ADEUKJOTWDSWEK-WMLDXEAASA-N 2 1 285.366 2.415 20 0 CEADMP C[N@H+](CCCCCC[NH3+])Cc1nnc(C2CC2)n1C1CC1 ZINC000872155042 649298670 /nfs/dbraw/zinc/29/86/70/649298670.db2.gz ALPLAMUDHUGQRP-UHFFFAOYSA-N 2 1 291.443 2.441 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1nnc(C2CC2)n1C1CC1 ZINC000872155042 649298672 /nfs/dbraw/zinc/29/86/72/649298672.db2.gz ALPLAMUDHUGQRP-UHFFFAOYSA-N 2 1 291.443 2.441 20 0 CEADMP COC(=O)[C@H](C)[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872155948 649299141 /nfs/dbraw/zinc/29/91/41/649299141.db2.gz BGROKDFNMBGYCH-GZBFAFLISA-N 2 1 282.428 2.168 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(c3cc[nH+]cc3C3CC3)C2)C1 ZINC000872552368 649419612 /nfs/dbraw/zinc/41/96/12/649419612.db2.gz WBWFAUIPBOYSDF-INIZCTEOSA-N 2 1 257.381 2.491 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2Cc3ccccc3C[NH2+]2)[C@H](C)C1 ZINC000873292647 649630307 /nfs/dbraw/zinc/63/03/07/649630307.db2.gz CRNFKKYLEPGSQX-JLSDUUJJSA-N 2 1 287.451 2.021 20 0 CEADMP C[C@H]1C[N@@H+](CCCC2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878324281 651067674 /nfs/dbraw/zinc/06/76/74/651067674.db2.gz KGPFIGJZAMXXRG-DOTOQJQBSA-N 2 1 279.472 2.134 20 0 CEADMP CC(C)[C@H](O)CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000878549810 651126963 /nfs/dbraw/zinc/12/69/63/651126963.db2.gz POHRMZHWNCIONQ-OAHLLOKOSA-N 2 1 268.445 2.201 20 0 CEADMP O[C@H](C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000878744531 651177822 /nfs/dbraw/zinc/17/78/22/651177822.db2.gz UASGMMVMFCJPTR-GOSISDBHSA-N 2 1 297.402 2.327 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](CC1CC3(CCC3)C1)CCO2 ZINC000878769622 651182436 /nfs/dbraw/zinc/18/24/36/651182436.db2.gz RONWGZVXYLCOAA-UHFFFAOYSA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CCC(C)(C)CO2)CCO1 ZINC000879000270 651225666 /nfs/dbraw/zinc/22/56/66/651225666.db2.gz APTQQRWWUKMAHY-HOTGVXAUSA-N 2 1 298.471 2.234 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CCC(C)(C)CO2)CCO1 ZINC000879000270 651225668 /nfs/dbraw/zinc/22/56/68/651225668.db2.gz APTQQRWWUKMAHY-HOTGVXAUSA-N 2 1 298.471 2.234 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000127620624 651273381 /nfs/dbraw/zinc/27/33/81/651273381.db2.gz LAAHEMQTQUUYLZ-HZPDHXFCSA-N 2 1 297.487 2.440 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127620624 651273383 /nfs/dbraw/zinc/27/33/83/651273383.db2.gz LAAHEMQTQUUYLZ-HZPDHXFCSA-N 2 1 297.487 2.440 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127620624 651273386 /nfs/dbraw/zinc/27/33/86/651273386.db2.gz LAAHEMQTQUUYLZ-HZPDHXFCSA-N 2 1 297.487 2.440 20 0 CEADMP Cc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000879570439 651323484 /nfs/dbraw/zinc/32/34/84/651323484.db2.gz ZEIKZYAQIIYOCV-DOTOQJQBSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000879570439 651323486 /nfs/dbraw/zinc/32/34/86/651323486.db2.gz ZEIKZYAQIIYOCV-DOTOQJQBSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879570439 651323487 /nfs/dbraw/zinc/32/34/87/651323487.db2.gz ZEIKZYAQIIYOCV-DOTOQJQBSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879570439 651323488 /nfs/dbraw/zinc/32/34/88/651323488.db2.gz ZEIKZYAQIIYOCV-DOTOQJQBSA-N 2 1 274.408 2.400 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCCCCn3cccn3)CC[C@H]21 ZINC000879572380 651324006 /nfs/dbraw/zinc/32/40/06/651324006.db2.gz GQNHVNGDGRTXHF-HZPDHXFCSA-N 2 1 276.428 2.079 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCCCCn3cccn3)CC[C@H]21 ZINC000879572380 651324007 /nfs/dbraw/zinc/32/40/07/651324007.db2.gz GQNHVNGDGRTXHF-HZPDHXFCSA-N 2 1 276.428 2.079 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCCCCn3cccn3)CC[C@H]21 ZINC000879572380 651324009 /nfs/dbraw/zinc/32/40/09/651324009.db2.gz GQNHVNGDGRTXHF-HZPDHXFCSA-N 2 1 276.428 2.079 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCCCn3cccn3)CC[C@H]21 ZINC000879572380 651324011 /nfs/dbraw/zinc/32/40/11/651324011.db2.gz GQNHVNGDGRTXHF-HZPDHXFCSA-N 2 1 276.428 2.079 20 0 CEADMP C[N@H+]1CC[C@H]2CN(Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000879581143 651326741 /nfs/dbraw/zinc/32/67/41/651326741.db2.gz XDQAKHNDLJBEFD-MAUKXSAKSA-N 2 1 286.419 2.285 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000879581143 651326743 /nfs/dbraw/zinc/32/67/43/651326743.db2.gz XDQAKHNDLJBEFD-MAUKXSAKSA-N 2 1 286.419 2.285 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000879581143 651326745 /nfs/dbraw/zinc/32/67/45/651326745.db2.gz XDQAKHNDLJBEFD-MAUKXSAKSA-N 2 1 286.419 2.285 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000879581143 651326747 /nfs/dbraw/zinc/32/67/47/651326747.db2.gz XDQAKHNDLJBEFD-MAUKXSAKSA-N 2 1 286.419 2.285 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000879581143 651326748 /nfs/dbraw/zinc/32/67/48/651326748.db2.gz XDQAKHNDLJBEFD-MAUKXSAKSA-N 2 1 286.419 2.285 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879672919 651338007 /nfs/dbraw/zinc/33/80/07/651338007.db2.gz XCEIENFJBZDXCN-VXGBXAGGSA-N 2 1 273.302 2.449 20 0 CEADMP CC[C@H](O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879701852 651341171 /nfs/dbraw/zinc/34/11/71/651341171.db2.gz CFKSNPQCLCTCCU-HNNXBMFYSA-N 2 1 256.434 2.057 20 0 CEADMP CC[C@H](C)NC(=O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702584 651341573 /nfs/dbraw/zinc/34/15/73/651341573.db2.gz QXGVBZIYTXYWPF-HNNXBMFYSA-N 2 1 297.487 2.201 20 0 CEADMP CSC[C@@H](O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879704823 651341810 /nfs/dbraw/zinc/34/18/10/651341810.db2.gz UXCFVQFRABTYSL-HNNXBMFYSA-N 2 1 288.501 2.010 20 0 CEADMP CC1([NH+]2CCCCC2)CC[NH+](CCn2ccnc2)CC1 ZINC000879950161 651363993 /nfs/dbraw/zinc/36/39/93/651363993.db2.gz HSLSTMYSXXUVHN-UHFFFAOYSA-N 2 1 276.428 2.224 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000880136840 651389479 /nfs/dbraw/zinc/38/94/79/651389479.db2.gz SXUFKPQRJAXLIE-HZPDHXFCSA-N 2 1 275.396 2.067 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000880136840 651389481 /nfs/dbraw/zinc/38/94/81/651389481.db2.gz SXUFKPQRJAXLIE-HZPDHXFCSA-N 2 1 275.396 2.067 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880143142 651391589 /nfs/dbraw/zinc/39/15/89/651391589.db2.gz YJNJRWUIBGCMFD-BRWVUGGUSA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880143142 651391590 /nfs/dbraw/zinc/39/15/90/651391590.db2.gz YJNJRWUIBGCMFD-BRWVUGGUSA-N 2 1 279.472 2.418 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880143142 651391592 /nfs/dbraw/zinc/39/15/92/651391592.db2.gz YJNJRWUIBGCMFD-BRWVUGGUSA-N 2 1 279.472 2.418 20 0 CEADMP C1=CCC(C[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000880201045 651400337 /nfs/dbraw/zinc/40/03/37/651400337.db2.gz GTKBSBRLLIHTTA-INIZCTEOSA-N 2 1 264.413 2.186 20 0 CEADMP C1=CCC(C[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000880201045 651400338 /nfs/dbraw/zinc/40/03/38/651400338.db2.gz GTKBSBRLLIHTTA-INIZCTEOSA-N 2 1 264.413 2.186 20 0 CEADMP C[C@H]1C[N@@H+](CCc2ccccn2)CCN1c1cc[nH+]cc1 ZINC000880258838 651411131 /nfs/dbraw/zinc/41/11/31/651411131.db2.gz JTKSBIUTMGBORM-HNNXBMFYSA-N 2 1 282.391 2.230 20 0 CEADMP C[C@H]1C[N@@H+](CC2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000880260041 651411989 /nfs/dbraw/zinc/41/19/89/651411989.db2.gz MNJXWDHMOSPGLD-AWEZNQCLSA-N 2 1 275.396 2.019 20 0 CEADMP Cc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)on1 ZINC000880259821 651412011 /nfs/dbraw/zinc/41/20/11/651412011.db2.gz JHOBDIVOEIGSAW-ZDUSSCGKSA-N 2 1 272.352 2.089 20 0 CEADMP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)on1 ZINC000880259821 651412012 /nfs/dbraw/zinc/41/20/12/651412012.db2.gz JHOBDIVOEIGSAW-ZDUSSCGKSA-N 2 1 272.352 2.089 20 0 CEADMP COc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cn1 ZINC000880262744 651412626 /nfs/dbraw/zinc/41/26/26/651412626.db2.gz SYFBQJKZBWAKAU-AWEZNQCLSA-N 2 1 298.390 2.196 20 0 CEADMP COc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cn1 ZINC000880262744 651412628 /nfs/dbraw/zinc/41/26/28/651412628.db2.gz SYFBQJKZBWAKAU-AWEZNQCLSA-N 2 1 298.390 2.196 20 0 CEADMP C1=C[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000883245429 652412581 /nfs/dbraw/zinc/41/25/81/652412581.db2.gz LJXUQSFZXIWWSN-GOEBONIOSA-N 2 1 264.413 2.186 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC3(COC3)CC2)[C@@H](C)C1 ZINC000883378472 652449793 /nfs/dbraw/zinc/44/97/93/652449793.db2.gz NAAQOYYTYMVRDU-DZGCQCFKSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883437132 652469762 /nfs/dbraw/zinc/46/97/62/652469762.db2.gz KCHNNQUHAPKQLF-IRXDYDNUSA-N 2 1 292.423 2.204 20 0 CEADMP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)nc1Cl ZINC000883440875 652471687 /nfs/dbraw/zinc/47/16/87/652471687.db2.gz BSXDCGYUUSLNPM-GHMZBOCLSA-N 2 1 253.777 2.259 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884219211 652756001 /nfs/dbraw/zinc/75/60/01/652756001.db2.gz KDYMBSLXBKXQRU-HIFRSBDPSA-N 2 1 295.471 2.131 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000884227857 652758641 /nfs/dbraw/zinc/75/86/41/652758641.db2.gz ZOJCGGVXKMLYET-GJZGRUSLSA-N 2 1 297.487 2.329 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(N2CCCC2)cc[nH+]1 ZINC001164637091 719219338 /nfs/dbraw/zinc/21/93/38/719219338.db2.gz KUCUVUZQTJGGCP-UONOGXRCSA-N 2 1 274.412 2.211 20 0 CEADMP C[C@]1(O)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167996063 805603556 /nfs/dbraw/zinc/60/35/56/805603556.db2.gz VZLIVQLSLYHCFG-WFVVYAPDSA-N 2 1 278.440 2.239 20 0 CEADMP C[C@]1(O)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167996063 805603559 /nfs/dbraw/zinc/60/35/59/805603559.db2.gz VZLIVQLSLYHCFG-WFVVYAPDSA-N 2 1 278.440 2.239 20 0 CEADMP C[C@]1(O)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167996063 805603564 /nfs/dbraw/zinc/60/35/64/805603564.db2.gz VZLIVQLSLYHCFG-WFVVYAPDSA-N 2 1 278.440 2.239 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168101787 806166009 /nfs/dbraw/zinc/16/60/09/806166009.db2.gz MNCHPWRRCIIBPY-ANQUJSFKSA-N 2 1 296.455 2.305 20 0 CEADMP CCC[NH+](CCC)CC(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC001271980805 806174057 /nfs/dbraw/zinc/17/40/57/806174057.db2.gz DBPMWAWRVJXUPG-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[NH+](CCC)CC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001271983638 806174980 /nfs/dbraw/zinc/17/49/80/806174980.db2.gz WKCWPIBDFVYJFU-KRWDZBQOSA-N 2 1 295.471 2.053 20 0 CEADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CCC(C)(C)C ZINC001088495056 806314537 /nfs/dbraw/zinc/31/45/37/806314537.db2.gz YPFHNPBAQOCPCS-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CCC(C)(C)C ZINC001088495056 806314543 /nfs/dbraw/zinc/31/45/43/806314543.db2.gz YPFHNPBAQOCPCS-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CCC(C)(C)C ZINC001088495056 806314555 /nfs/dbraw/zinc/31/45/55/806314555.db2.gz YPFHNPBAQOCPCS-QLFBSQMISA-N 2 1 295.471 2.096 20 0 CEADMP CCOC(=O)Cc1cc[nH+]c(NC2(C)CC[NH2+]CC2)c1C ZINC001168183284 806380657 /nfs/dbraw/zinc/38/06/57/806380657.db2.gz BNRUZTZXJGSZSZ-UHFFFAOYSA-N 2 1 291.395 2.050 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C2 ZINC001168259116 806449201 /nfs/dbraw/zinc/44/92/01/806449201.db2.gz JJNZDDKSBWUDQE-XGWLTEMNSA-N 2 1 274.408 2.092 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C2 ZINC001168259116 806449206 /nfs/dbraw/zinc/44/92/06/806449206.db2.gz JJNZDDKSBWUDQE-XGWLTEMNSA-N 2 1 274.408 2.092 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1Cc2ccc(OC)cc2C1 ZINC001168289294 806629416 /nfs/dbraw/zinc/62/94/16/806629416.db2.gz PVEHJNKEDUZRER-INIZCTEOSA-N 2 1 276.424 2.436 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3Cc4ccc(OC)cc4C3)C[C@@H]2C1 ZINC001168291349 806634039 /nfs/dbraw/zinc/63/40/39/806634039.db2.gz KDOWDCPZIZQZSN-IXDOHACOSA-N 2 1 286.419 2.046 20 0 CEADMP CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324463 806653536 /nfs/dbraw/zinc/65/35/36/806653536.db2.gz PJKDIJMKXGBFJS-GPANFISMSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+](C)C1CCC(N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001168324434 806653751 /nfs/dbraw/zinc/65/37/51/806653751.db2.gz ONXIKEYQZLAZFV-UHFFFAOYSA-N 2 1 267.461 2.275 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCc3nc(Cl)ncc3C2)CC1 ZINC001168324485 806653989 /nfs/dbraw/zinc/65/39/89/806653989.db2.gz PVJPOQHOPOXNBW-UHFFFAOYSA-N 2 1 294.830 2.361 20 0 CEADMP CC[N@@H+](C1CCOCC1)C1CCC([NH+](C)C)CC1 ZINC001168324028 806654850 /nfs/dbraw/zinc/65/48/50/806654850.db2.gz GVPMOUJQSCXKBG-UHFFFAOYSA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)=CC[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168346142 806668365 /nfs/dbraw/zinc/66/83/65/806668365.db2.gz UNTLIUDTDYIATA-UHFFFAOYSA-N 2 1 295.471 2.169 20 0 CEADMP CO[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1C ZINC000300008924 802342263 /nfs/dbraw/zinc/34/22/63/802342263.db2.gz NRUHLTLUFCHTEL-NIOBXDJOSA-N 2 1 266.429 2.264 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@@H](C)C(F)(F)F)C[C@@H]2C1 ZINC001208903820 802436893 /nfs/dbraw/zinc/43/68/93/802436893.db2.gz ZAXZNMXESMILNH-MXWKQRLJSA-N 2 1 250.308 2.068 20 0 CEADMP CC[N@H+]1C[C@@H]2C[NH+](C[C@@H](C)C(F)(F)F)C[C@@H]2C1 ZINC001208903820 802436876 /nfs/dbraw/zinc/43/68/76/802436876.db2.gz ZAXZNMXESMILNH-MXWKQRLJSA-N 2 1 250.308 2.068 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@@H](C)C(F)(F)F)C[C@@H]2C1 ZINC001208903820 802436881 /nfs/dbraw/zinc/43/68/81/802436881.db2.gz ZAXZNMXESMILNH-MXWKQRLJSA-N 2 1 250.308 2.068 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@@H](C)C(F)(F)F)C[C@@H]2C1 ZINC001208903820 802436887 /nfs/dbraw/zinc/43/68/87/802436887.db2.gz ZAXZNMXESMILNH-MXWKQRLJSA-N 2 1 250.308 2.068 20 0 CEADMP CCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001266322679 802437857 /nfs/dbraw/zinc/43/78/57/802437857.db2.gz LYHJBZOMUKXRFS-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001266322679 802437863 /nfs/dbraw/zinc/43/78/63/802437863.db2.gz LYHJBZOMUKXRFS-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001266322679 802437871 /nfs/dbraw/zinc/43/78/71/802437871.db2.gz LYHJBZOMUKXRFS-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1cccc(CC[N@@H+](C)Cc2c[nH+]ccc2N)c1 ZINC001209730275 802562864 /nfs/dbraw/zinc/56/28/64/802562864.db2.gz DWRLBBMGVFIHDQ-UHFFFAOYSA-N 2 1 255.365 2.477 20 0 CEADMP Cc1cccc(CC[N@H+](C)Cc2c[nH+]ccc2N)c1 ZINC001209730275 802562868 /nfs/dbraw/zinc/56/28/68/802562868.db2.gz DWRLBBMGVFIHDQ-UHFFFAOYSA-N 2 1 255.365 2.477 20 0 CEADMP CC(C)[NH2+]CC1(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001167240701 802598463 /nfs/dbraw/zinc/59/84/63/802598463.db2.gz PEUKXBWSOXEUCC-UHFFFAOYSA-N 2 1 297.487 2.249 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000693058766 802607044 /nfs/dbraw/zinc/60/70/44/802607044.db2.gz FXPYIAHMAJZPSH-ZNMIVQPWSA-N 2 1 277.412 2.063 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000693058766 802607046 /nfs/dbraw/zinc/60/70/46/802607046.db2.gz FXPYIAHMAJZPSH-ZNMIVQPWSA-N 2 1 277.412 2.063 20 0 CEADMP C[C@@H](CO)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121096711 802610962 /nfs/dbraw/zinc/61/09/62/802610962.db2.gz YNYNEGOWCQJUGZ-WBVHZDCISA-N 2 1 276.424 2.069 20 0 CEADMP C[C@@H](CO)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121096711 802610967 /nfs/dbraw/zinc/61/09/67/802610967.db2.gz YNYNEGOWCQJUGZ-WBVHZDCISA-N 2 1 276.424 2.069 20 0 CEADMP C[C@@H](CO)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121096711 802610971 /nfs/dbraw/zinc/61/09/71/802610971.db2.gz YNYNEGOWCQJUGZ-WBVHZDCISA-N 2 1 276.424 2.069 20 0 CEADMP CCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001266488534 802627269 /nfs/dbraw/zinc/62/72/69/802627269.db2.gz KZIBRNMPINBXGF-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP C[NH+]1CCC([NH2+]CCCCCNC(=O)OC(C)(C)C)CC1 ZINC000397726264 802701434 /nfs/dbraw/zinc/70/14/34/802701434.db2.gz NHIFAIJPPIBTMX-UHFFFAOYSA-N 2 1 299.459 2.365 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066047 807001545 /nfs/dbraw/zinc/00/15/45/807001545.db2.gz IEMPXJVIKHRFAJ-OAHLLOKOSA-N 2 1 283.460 2.001 20 0 CEADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@H]2CCSC2)cc1 ZINC000398302963 802821732 /nfs/dbraw/zinc/82/17/32/802821732.db2.gz SGKOLKWHRPRPJR-CAOSSQGBSA-N 2 1 274.433 2.212 20 0 CEADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@H]2CCSC2)cc1 ZINC000398302963 802821735 /nfs/dbraw/zinc/82/17/35/802821735.db2.gz SGKOLKWHRPRPJR-CAOSSQGBSA-N 2 1 274.433 2.212 20 0 CEADMP CC(C)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000382248768 802851812 /nfs/dbraw/zinc/85/18/12/802851812.db2.gz AAKKGCKUKFXJRL-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001266859481 802950130 /nfs/dbraw/zinc/95/01/30/802950130.db2.gz KZIFDZFXEBIYSL-INIZCTEOSA-N 2 1 293.455 2.019 20 0 CEADMP COc1c(C)cnc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1C ZINC000723885011 802964096 /nfs/dbraw/zinc/96/40/96/802964096.db2.gz XRNRXKDIFVTJJS-TZMCWYRMSA-N 2 1 277.412 2.124 20 0 CEADMP C[C@@H]1CC[C@@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000399194838 802978559 /nfs/dbraw/zinc/97/85/59/802978559.db2.gz RRQQIQFJHAZMOI-KBAYOESNSA-N 2 1 287.451 2.381 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000723997351 802990900 /nfs/dbraw/zinc/99/09/00/802990900.db2.gz FNURUZLPLQNSPH-FVQBIDKESA-N 2 1 266.429 2.123 20 0 CEADMP COc1ccccc1C[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693561869 803085442 /nfs/dbraw/zinc/08/54/42/803085442.db2.gz LISJDPIWWOJXHX-KCQAQPDRSA-N 2 1 262.397 2.295 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000693585232 803138306 /nfs/dbraw/zinc/13/83/06/803138306.db2.gz JWDYYHGTPHMWMJ-NXHRZFHOSA-N 2 1 287.451 2.320 20 0 CEADMP C[N@H+](C[C@H]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC001207350748 803240612 /nfs/dbraw/zinc/24/06/12/803240612.db2.gz SFDPRONXOMBTEO-ZDUSSCGKSA-N 2 1 254.418 2.218 20 0 CEADMP C[N@@H+](C[C@H]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC001207350748 803240617 /nfs/dbraw/zinc/24/06/17/803240617.db2.gz SFDPRONXOMBTEO-ZDUSSCGKSA-N 2 1 254.418 2.218 20 0 CEADMP CCCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001267233657 803265572 /nfs/dbraw/zinc/26/55/72/803265572.db2.gz VXKNODYIMLECNT-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001267233657 803265577 /nfs/dbraw/zinc/26/55/77/803265577.db2.gz VXKNODYIMLECNT-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001267233657 803265578 /nfs/dbraw/zinc/26/55/78/803265578.db2.gz VXKNODYIMLECNT-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCO)C1CCCC1 ZINC000725095386 803426921 /nfs/dbraw/zinc/42/69/21/803426921.db2.gz LOLRIRCZDXXOKY-CABCVRRESA-N 2 1 254.418 2.002 20 0 CEADMP CC[NH+]1CC(Oc2ccc3c(c2)C(C)(C)C[NH2+]CC3)C1 ZINC001217967833 803519334 /nfs/dbraw/zinc/51/93/34/803519334.db2.gz FQUQXWGXFDPHEG-UHFFFAOYSA-N 2 1 274.408 2.193 20 0 CEADMP Cc1cc2cc(-n3ccc(C[NH3+])cc3=N)ccc2c[nH+]1 ZINC001167693638 803551664 /nfs/dbraw/zinc/55/16/64/803551664.db2.gz XWWXQMKHYAFXPX-UHFFFAOYSA-N 2 1 264.332 2.272 20 0 CEADMP CC(C)(C)OC(=O)O[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC001207436827 803610329 /nfs/dbraw/zinc/61/03/29/803610329.db2.gz RIOGXODJBRMYFG-ZDUSSCGKSA-N 2 1 284.400 2.012 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)[C@H]1CC[NH3+] ZINC000715396588 814952680 /nfs/dbraw/zinc/95/26/80/814952680.db2.gz VJSRGKWBPPLCNQ-OEAJRASXSA-N 2 1 266.429 2.393 20 0 CEADMP C[N@@H+](C[C@H]1CC[C@@H](C2CC2)O1)C1CCC([NH3+])CC1 ZINC000715482974 814959205 /nfs/dbraw/zinc/95/92/05/814959205.db2.gz PLSRPSIRMPNADX-CVSAEHQPSA-N 2 1 252.402 2.146 20 0 CEADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CCCC(C)(C)C ZINC001267829394 803760872 /nfs/dbraw/zinc/76/08/72/803760872.db2.gz SLODBPLKDLNSAF-GJZGRUSLSA-N 2 1 297.487 2.249 20 0 CEADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H]2c2cnccn2)CC1 ZINC001207485225 803795550 /nfs/dbraw/zinc/79/55/50/803795550.db2.gz VGYJUIXBNYPMJD-MRXNPFEDSA-N 2 1 274.412 2.345 20 0 CEADMP CCC[N@@H+](C[C@H]1CC[C@@H](C2CC2)O1)C1CC[NH2+]CC1 ZINC000715528175 814972934 /nfs/dbraw/zinc/97/29/34/814972934.db2.gz ANOXOELCAFIGFY-CVEARBPZSA-N 2 1 266.429 2.408 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1)C1CC1 ZINC000715535541 814973755 /nfs/dbraw/zinc/97/37/55/814973755.db2.gz LKWIEEFXDWMROO-SJORKVTESA-N 2 1 278.440 2.408 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[C@H](C4CC4)O3)C[C@@H]21 ZINC000715536608 814973823 /nfs/dbraw/zinc/97/38/23/814973823.db2.gz SKCRNXGTOHFMKM-LYYZXLFJSA-N 2 1 264.413 2.003 20 0 CEADMP COc1nccc(C[NH+]2CCC(F)(C[NH3+])CC2)c1Cl ZINC001222548563 803899821 /nfs/dbraw/zinc/89/98/21/803899821.db2.gz RRTPUIRXVXUKKG-UHFFFAOYSA-N 2 1 287.766 2.006 20 0 CEADMP COc1ccc(C2CC2)cc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000925738546 804160651 /nfs/dbraw/zinc/16/06/51/804160651.db2.gz YNZRJPCAZJNLQN-LLVKDONJSA-N 2 1 260.381 2.270 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]C[C@H](C)CC)CC1 ZINC001167814842 804359962 /nfs/dbraw/zinc/35/99/62/804359962.db2.gz HAIDQTXOLFYPTA-OAHLLOKOSA-N 2 1 297.487 2.250 20 0 CEADMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2C)C1 ZINC001118410878 815012425 /nfs/dbraw/zinc/01/24/25/815012425.db2.gz LMNGYWLIBJFHCK-ZDUSSCGKSA-N 2 1 260.385 2.273 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC12COC2 ZINC001167826215 804385144 /nfs/dbraw/zinc/38/51/44/804385144.db2.gz PGZRDMAJOGZNIY-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2nn(C)cc2C1 ZINC001167825988 804386268 /nfs/dbraw/zinc/38/62/68/804386268.db2.gz LYIBBDKIMXSPMZ-AWEZNQCLSA-N 2 1 278.444 2.289 20 0 CEADMP C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccns1 ZINC000716017582 815014102 /nfs/dbraw/zinc/01/41/02/815014102.db2.gz BUWZPKUZBYAELR-SDDRHHMPSA-N 2 1 251.399 2.421 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001167833436 804409535 /nfs/dbraw/zinc/40/95/35/804409535.db2.gz BEWNUUULJZQEEQ-GDBMZVCRSA-N 2 1 297.443 2.071 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)N1CC[NH+](CCCOC)CC1 ZINC001167837501 804432676 /nfs/dbraw/zinc/43/26/76/804432676.db2.gz LOHOBIPFTOANMI-KRWDZBQOSA-N 2 1 299.503 2.151 20 0 CEADMP CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001268179343 804529006 /nfs/dbraw/zinc/52/90/06/804529006.db2.gz ODNZKVWNFLYXRT-CVEARBPZSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+](C[C@H](C)CC)CC1 ZINC001225245599 804805901 /nfs/dbraw/zinc/80/59/01/804805901.db2.gz SACRJFKLYZTYQL-OAHLLOKOSA-N 2 1 297.487 2.203 20 0 CEADMP CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001268673358 804920284 /nfs/dbraw/zinc/92/02/84/804920284.db2.gz DAEUBCLSKBGHCV-GDBMZVCRSA-N 2 1 291.439 2.184 20 0 CEADMP CC/C=C\CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268729251 804946646 /nfs/dbraw/zinc/94/66/46/804946646.db2.gz CKTOXYKYRBOQQH-WPGRVJDUSA-N 2 1 295.471 2.119 20 0 CEADMP CC/C=C\CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268729251 804946649 /nfs/dbraw/zinc/94/66/49/804946649.db2.gz CKTOXYKYRBOQQH-WPGRVJDUSA-N 2 1 295.471 2.119 20 0 CEADMP CC/C=C\CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268729251 804946653 /nfs/dbraw/zinc/94/66/53/804946653.db2.gz CKTOXYKYRBOQQH-WPGRVJDUSA-N 2 1 295.471 2.119 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000165071191 807036453 /nfs/dbraw/zinc/03/64/53/807036453.db2.gz BTTQZAUFRGFLON-ZDUSSCGKSA-N 2 1 255.365 2.276 20 0 CEADMP C(C1CC1)[NH+]1CCC(N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001168387743 807044530 /nfs/dbraw/zinc/04/45/30/807044530.db2.gz SALDGVNDLGAHDI-KRWDZBQOSA-N 2 1 277.456 2.031 20 0 CEADMP CC[N@@H+](CCn1ccnc1)C1CC[NH+](CC2CC2)CC1 ZINC001168389812 807052490 /nfs/dbraw/zinc/05/24/90/807052490.db2.gz WSQSIJOBSBTSPM-UHFFFAOYSA-N 2 1 276.428 2.079 20 0 CEADMP OCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960287 805321644 /nfs/dbraw/zinc/32/16/44/805321644.db2.gz XMCJBHDROJLVRS-MQVJKMGUSA-N 2 1 266.429 2.144 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167964640 805453041 /nfs/dbraw/zinc/45/30/41/805453041.db2.gz VSHJHSSMYDYFCE-CSNJMZFVSA-N 2 1 291.483 2.464 20 0 CEADMP CC(C)[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167964640 805453047 /nfs/dbraw/zinc/45/30/47/805453047.db2.gz VSHJHSSMYDYFCE-CSNJMZFVSA-N 2 1 291.483 2.464 20 0 CEADMP CC(C)[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167964640 805453051 /nfs/dbraw/zinc/45/30/51/805453051.db2.gz VSHJHSSMYDYFCE-CSNJMZFVSA-N 2 1 291.483 2.464 20 0 CEADMP C[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H]1CO ZINC001167984740 805537532 /nfs/dbraw/zinc/53/75/32/805537532.db2.gz QJWLWVNVBHWKER-XYAUDYEYSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H]1CO ZINC001167984740 805537539 /nfs/dbraw/zinc/53/75/39/805537539.db2.gz QJWLWVNVBHWKER-XYAUDYEYSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H]1CO ZINC001167984740 805537547 /nfs/dbraw/zinc/53/75/47/805537547.db2.gz QJWLWVNVBHWKER-XYAUDYEYSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985671 805543610 /nfs/dbraw/zinc/54/36/10/805543610.db2.gz YZRQGLHOLIELEX-HYLRJUEESA-N 2 1 278.440 2.237 20 0 CEADMP C[C@@H]1CC[C@@H](O)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167985671 805543613 /nfs/dbraw/zinc/54/36/13/805543613.db2.gz YZRQGLHOLIELEX-HYLRJUEESA-N 2 1 278.440 2.237 20 0 CEADMP C[C@@H]1CC[C@@H](O)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167985671 805543620 /nfs/dbraw/zinc/54/36/20/805543620.db2.gz YZRQGLHOLIELEX-HYLRJUEESA-N 2 1 278.440 2.237 20 0 CEADMP O=C1CCC[C@@H]2C[N@@H+](C3CC[NH+](CC4CC4)CC3)C[C@@H]12 ZINC001168396023 807075203 /nfs/dbraw/zinc/07/52/03/807075203.db2.gz BMXKQOLJRYHHAE-GDBMZVCRSA-N 2 1 276.424 2.162 20 0 CEADMP O=C1CCC[C@@H]2C[N@H+](C3CC[NH+](CC4CC4)CC3)C[C@@H]12 ZINC001168396023 807075210 /nfs/dbraw/zinc/07/52/10/807075210.db2.gz BMXKQOLJRYHHAE-GDBMZVCRSA-N 2 1 276.424 2.162 20 0 CEADMP CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)C(C)C)[NH+](C)C ZINC001089192236 807413872 /nfs/dbraw/zinc/41/38/72/807413872.db2.gz RMJOXLUCOHUPFC-LSDHHAIUSA-N 2 1 283.460 2.048 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001089215065 807427978 /nfs/dbraw/zinc/42/79/78/807427978.db2.gz HSFMOZDOMNPWPM-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089215065 807427982 /nfs/dbraw/zinc/42/79/82/807427982.db2.gz HSFMOZDOMNPWPM-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001089215065 807427986 /nfs/dbraw/zinc/42/79/86/807427986.db2.gz HSFMOZDOMNPWPM-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCOC(=O)CCCCCC[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094647 807580211 /nfs/dbraw/zinc/58/02/11/807580211.db2.gz NREQWQSSTHYVON-AWEZNQCLSA-N 2 1 270.417 2.313 20 0 CEADMP C[C@@H](O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716621606 815137354 /nfs/dbraw/zinc/13/73/54/815137354.db2.gz RQBTYHYEYCVIMI-UBDQQSCGSA-N 2 1 288.435 2.400 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000699311981 807679449 /nfs/dbraw/zinc/67/94/49/807679449.db2.gz MJCJSDWNRZNGRA-NPYXIHBLSA-N 2 1 277.456 2.077 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235188989 807795229 /nfs/dbraw/zinc/79/52/29/807795229.db2.gz DLABFZWPHGQRHW-UHFFFAOYSA-N 3 1 273.424 2.253 20 0 CEADMP COc1cncc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000699794016 807849068 /nfs/dbraw/zinc/84/90/68/807849068.db2.gz HHOGYAUXLVSXBM-UHFFFAOYSA-N 2 1 277.412 2.300 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001236037475 807947517 /nfs/dbraw/zinc/94/75/17/807947517.db2.gz ITZICMIXKBXMJQ-HUUCEWRRSA-N 2 1 282.428 2.184 20 0 CEADMP C[N@H+]1CC[C@@H](c2ccc(Nc3nccnc3C[NH3+])cc2)C1 ZINC001171449843 815163341 /nfs/dbraw/zinc/16/33/41/815163341.db2.gz YNFYBOTUXZTLAH-CYBMUJFWSA-N 2 1 283.379 2.098 20 0 CEADMP COc1ccc(C[C@@H]2CCC[N@H+](C[C@@H](C)[NH3+])C2)cc1 ZINC001236092149 807972153 /nfs/dbraw/zinc/97/21/53/807972153.db2.gz HXFLLDBRGPIVHJ-HIFRSBDPSA-N 2 1 262.397 2.297 20 0 CEADMP COc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H](C)[NH3+])C2)cc1 ZINC001236092149 807972160 /nfs/dbraw/zinc/97/21/60/807972160.db2.gz HXFLLDBRGPIVHJ-HIFRSBDPSA-N 2 1 262.397 2.297 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171520042 815191838 /nfs/dbraw/zinc/19/18/38/815191838.db2.gz KXGDILQIXKDUNR-ONGXEEELSA-N 2 1 286.341 2.488 20 0 CEADMP C[NH+]1C(C)(C)CC(N[C@@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC001171619502 815205347 /nfs/dbraw/zinc/20/53/47/815205347.db2.gz NCWHRHSONAYYPQ-CYBMUJFWSA-N 2 1 267.461 2.322 20 0 CEADMP C[NH+]1C(C)(C)CC(N[C@@H]2CCC[N@H+](C)C2)CC1(C)C ZINC001171619502 815205349 /nfs/dbraw/zinc/20/53/49/815205349.db2.gz NCWHRHSONAYYPQ-CYBMUJFWSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@H]1C[C@H](n2ccnc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171727112 815218640 /nfs/dbraw/zinc/21/86/40/815218640.db2.gz PSZDOFHXWUTCAN-ZFWWWQNUSA-N 2 1 270.380 2.177 20 0 CEADMP CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430005 815221566 /nfs/dbraw/zinc/22/15/66/815221566.db2.gz GEMNWCQZUUCGDJ-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171743535 815222543 /nfs/dbraw/zinc/22/25/43/815222543.db2.gz BIYVDKREHGXSMX-WMZOPIPTSA-N 2 1 287.451 2.287 20 0 CEADMP C[C@H]1C[C@H](n2ncc3c2CC[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC001171753891 815226043 /nfs/dbraw/zinc/22/60/43/815226043.db2.gz YJANLDXVMLTUBH-YOEHRIQHSA-N 2 1 296.418 2.364 20 0 CEADMP CCCC[NH+]1CC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001042925218 808683261 /nfs/dbraw/zinc/68/32/61/808683261.db2.gz ZAQWMCUZHBCHDD-OAHLLOKOSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H]1C[C@H](N2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC001171762314 815227627 /nfs/dbraw/zinc/22/76/27/815227627.db2.gz IYZMTXHSOOBCLZ-JZXOWHBKSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@H]1C[C@H](N2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC001171762314 815227630 /nfs/dbraw/zinc/22/76/30/815227630.db2.gz IYZMTXHSOOBCLZ-JZXOWHBKSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@H]1C[C@H](N2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC001171762314 815227634 /nfs/dbraw/zinc/22/76/34/815227634.db2.gz IYZMTXHSOOBCLZ-JZXOWHBKSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1C[C@H](N(C)[C@H]2CC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC001171765307 815228308 /nfs/dbraw/zinc/22/83/08/815228308.db2.gz XWZGABOTEYRWSE-NJAFHUGGSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1C[C@H](N(C)[C@H]2CC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC001171765307 815228313 /nfs/dbraw/zinc/22/83/13/815228313.db2.gz XWZGABOTEYRWSE-NJAFHUGGSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1C[C@H](N(C)[C@H]2CC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC001171765307 815228317 /nfs/dbraw/zinc/22/83/17/815228317.db2.gz XWZGABOTEYRWSE-NJAFHUGGSA-N 2 1 287.451 2.285 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2cc(F)cc(F)c2F)CC1 ZINC001205033310 808846148 /nfs/dbraw/zinc/84/61/48/808846148.db2.gz APEQODLFHPSSOO-UHFFFAOYSA-N 2 1 258.287 2.275 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C12CCC2 ZINC000453106387 809036120 /nfs/dbraw/zinc/03/61/20/809036120.db2.gz JBBUWTBNCGKHRA-AEGPPILISA-N 2 1 277.412 2.375 20 0 CEADMP CCOC(=O)C1(C)CCC(n2cc[nH+]c2CCC[NH3+])CC1 ZINC001171948350 815258343 /nfs/dbraw/zinc/25/83/43/815258343.db2.gz GGIKLJBLAQKXDY-UHFFFAOYSA-N 2 1 293.411 2.459 20 0 CEADMP COc1ccc(F)c(C[NH+]2CCC(C[NH3+])CC2)c1F ZINC001205046672 809068836 /nfs/dbraw/zinc/06/88/36/809068836.db2.gz ISEZDVUBGHSSMG-UHFFFAOYSA-N 2 1 270.323 2.144 20 0 CEADMP Cc1ccnc(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172101159 815280882 /nfs/dbraw/zinc/28/08/82/815280882.db2.gz WZPVQLRNZPVCHD-MKZZRHPPSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1ccnc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172101159 815280884 /nfs/dbraw/zinc/28/08/84/815280884.db2.gz WZPVQLRNZPVCHD-MKZZRHPPSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1ccnc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172101159 815280889 /nfs/dbraw/zinc/28/08/89/815280889.db2.gz WZPVQLRNZPVCHD-MKZZRHPPSA-N 2 1 259.397 2.495 20 0 CEADMP CC(C)c1cnc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)o1 ZINC000700788624 809347877 /nfs/dbraw/zinc/34/78/77/809347877.db2.gz QZJLSCWWPNITOW-LLVKDONJSA-N 2 1 251.374 2.357 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)C2 ZINC001172100759 815284930 /nfs/dbraw/zinc/28/49/30/815284930.db2.gz SKXMQRSJWCWUKE-NXOAAHMSSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1C(C)(C)O)C2 ZINC001172128391 815289303 /nfs/dbraw/zinc/28/93/03/815289303.db2.gz RRRSDONHWZUDRY-YJNKXOJESA-N 2 1 266.429 2.237 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1C(C)(C)O)C2 ZINC001172128391 815289306 /nfs/dbraw/zinc/28/93/06/815289306.db2.gz RRRSDONHWZUDRY-YJNKXOJESA-N 2 1 266.429 2.237 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1C(C)(C)O)C2 ZINC001172128391 815289309 /nfs/dbraw/zinc/28/93/09/815289309.db2.gz RRRSDONHWZUDRY-YJNKXOJESA-N 2 1 266.429 2.237 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1C(C)(C)O)C2 ZINC001172128391 815289314 /nfs/dbraw/zinc/28/93/14/815289314.db2.gz RRRSDONHWZUDRY-YJNKXOJESA-N 2 1 266.429 2.237 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]2C1 ZINC001172129820 815289792 /nfs/dbraw/zinc/28/97/92/815289792.db2.gz LEWMUTLEMMXJLL-IJTOGUNISA-N 3 1 291.483 2.275 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]2C1 ZINC001172129820 815289795 /nfs/dbraw/zinc/28/97/95/815289795.db2.gz LEWMUTLEMMXJLL-IJTOGUNISA-N 3 1 291.483 2.275 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]2C1 ZINC001172129820 815289798 /nfs/dbraw/zinc/28/97/98/815289798.db2.gz LEWMUTLEMMXJLL-IJTOGUNISA-N 3 1 291.483 2.275 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C[C@@H]2C1 ZINC001172129820 815289800 /nfs/dbraw/zinc/28/98/00/815289800.db2.gz LEWMUTLEMMXJLL-IJTOGUNISA-N 2 1 291.483 2.275 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C[C@@H]2C1 ZINC001172129820 815289803 /nfs/dbraw/zinc/28/98/03/815289803.db2.gz LEWMUTLEMMXJLL-IJTOGUNISA-N 2 1 291.483 2.275 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C[C@@H]2C1 ZINC001172129820 815289810 /nfs/dbraw/zinc/28/98/10/815289810.db2.gz LEWMUTLEMMXJLL-IJTOGUNISA-N 2 1 291.483 2.275 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C[C@@H]2C1 ZINC001172129820 815289813 /nfs/dbraw/zinc/28/98/13/815289813.db2.gz LEWMUTLEMMXJLL-IJTOGUNISA-N 2 1 291.483 2.275 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH+]3CCC3)CC1)C2 ZINC001172133634 815290500 /nfs/dbraw/zinc/29/05/00/815290500.db2.gz UCMMIJGYCFQZGC-BJWYYQGGSA-N 2 1 277.456 2.172 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)CO)C2 ZINC001172102008 815293399 /nfs/dbraw/zinc/29/33/99/815293399.db2.gz JFTWVROGHYHTKQ-QDMKHBRRSA-N 2 1 268.445 2.390 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(O)cc1)C2 ZINC001172102324 815294761 /nfs/dbraw/zinc/29/47/61/815294761.db2.gz LZRUPHLGNHVIAZ-QKDCVEJESA-N 2 1 260.381 2.497 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cnn(C)c1 ZINC001172105482 815295563 /nfs/dbraw/zinc/29/55/63/815295563.db2.gz IMSSLSSCRXPBRO-MHEUCROKSA-N 2 1 262.401 2.086 20 0 CEADMP CCn1cnc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172110044 815300279 /nfs/dbraw/zinc/30/02/79/815300279.db2.gz IWOHSOZMCDLTRQ-YOWGUQMCSA-N 2 1 262.401 2.008 20 0 CEADMP CCn1cnc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172110044 815300285 /nfs/dbraw/zinc/30/02/85/815300285.db2.gz IWOHSOZMCDLTRQ-YOWGUQMCSA-N 2 1 262.401 2.008 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(=O)Nc1ccccc1)C2 ZINC001172105131 815296958 /nfs/dbraw/zinc/29/69/58/815296958.db2.gz HEYBUWSWPXDFEV-MUJYYYPQSA-N 2 1 287.407 2.230 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(=O)Nc1ccccc1)C2 ZINC001172105131 815296961 /nfs/dbraw/zinc/29/69/61/815296961.db2.gz HEYBUWSWPXDFEV-MUJYYYPQSA-N 2 1 287.407 2.230 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1nnc3ccc(C[NH3+])cc31)C2 ZINC001172110429 815299732 /nfs/dbraw/zinc/29/97/32/815299732.db2.gz NCOFRKGNAQCVSZ-BTTYYORXSA-N 2 1 285.395 2.078 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(O)CCCCC1)C2 ZINC001172110501 815299842 /nfs/dbraw/zinc/29/98/42/815299842.db2.gz NRSHKOJLFHPSHX-QKDCVEJESA-N 2 1 266.429 2.287 20 0 CEADMP COC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172114261 815302522 /nfs/dbraw/zinc/30/25/22/815302522.db2.gz PRYNIGYRVULETM-BTTYYORXSA-N 2 1 252.402 2.113 20 0 CEADMP COC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172114261 815302528 /nfs/dbraw/zinc/30/25/28/815302528.db2.gz PRYNIGYRVULETM-BTTYYORXSA-N 2 1 252.402 2.113 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034538540 809628108 /nfs/dbraw/zinc/62/81/08/809628108.db2.gz OVPYYLBQSPWVSP-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](C(C)C)C1 ZINC001034538540 809628110 /nfs/dbraw/zinc/62/81/10/809628110.db2.gz OVPYYLBQSPWVSP-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1C[NH3+])C2 ZINC001172116383 815306187 /nfs/dbraw/zinc/30/61/87/815306187.db2.gz HCZJYIGZHZWARA-OSYLJGHBSA-N 3 1 273.424 2.250 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1C[NH3+])C2 ZINC001172116383 815306189 /nfs/dbraw/zinc/30/61/89/815306189.db2.gz HCZJYIGZHZWARA-OSYLJGHBSA-N 2 1 273.424 2.250 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccccc1C[NH3+])C2 ZINC001172116383 815306195 /nfs/dbraw/zinc/30/61/95/815306195.db2.gz HCZJYIGZHZWARA-OSYLJGHBSA-N 2 1 273.424 2.250 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccccc1C[NH3+])C2 ZINC001172116383 815306201 /nfs/dbraw/zinc/30/62/01/815306201.db2.gz HCZJYIGZHZWARA-OSYLJGHBSA-N 2 1 273.424 2.250 20 0 CEADMP CC[N@@H+](CCn1ccnc1)Cc1cc2cccnc2[nH]1 ZINC001143228483 809729430 /nfs/dbraw/zinc/72/94/30/809729430.db2.gz DTBXWMKFRBSNSN-UHFFFAOYSA-N 2 1 269.352 2.282 20 0 CEADMP COC(=O)[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172124331 815314987 /nfs/dbraw/zinc/31/49/87/815314987.db2.gz KQTNGOOWBYTNFF-NPJQDHAYSA-N 2 1 294.439 2.133 20 0 CEADMP COC(=O)[C@@H]1C[C@H](C)C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172124331 815314995 /nfs/dbraw/zinc/31/49/95/815314995.db2.gz KQTNGOOWBYTNFF-NPJQDHAYSA-N 2 1 294.439 2.133 20 0 CEADMP COC(=O)[C@@H]1C[C@H](C)C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172124331 815315000 /nfs/dbraw/zinc/31/50/00/815315000.db2.gz KQTNGOOWBYTNFF-NPJQDHAYSA-N 2 1 294.439 2.133 20 0 CEADMP COC(=O)[C@@H]1C[C@H](C)C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172124331 815315009 /nfs/dbraw/zinc/31/50/09/815315009.db2.gz KQTNGOOWBYTNFF-NPJQDHAYSA-N 2 1 294.439 2.133 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+](C(C)(C)C)CC1)C2 ZINC001172124253 815315349 /nfs/dbraw/zinc/31/53/49/815315349.db2.gz JUVWFARPCZIVAZ-ZSHCYNCHSA-N 2 1 279.472 2.418 20 0 CEADMP CCOC[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000707584545 809916702 /nfs/dbraw/zinc/91/67/02/809916702.db2.gz URSDVOOTVLOZJM-VIYLOZMYSA-N 2 1 266.429 2.266 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC[C@@H](CC[NH3+])C2)C(C)(C)O1 ZINC000709702291 809952913 /nfs/dbraw/zinc/95/29/13/809952913.db2.gz MISRPEZNSDAHIT-CHWSQXEVSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@]1(C(F)(F)F)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000709638305 809968518 /nfs/dbraw/zinc/96/85/18/809968518.db2.gz PVPFAWKJINSQKQ-LLVKDONJSA-N 2 1 250.308 2.260 20 0 CEADMP c1csc([C@@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)n1 ZINC000710469935 809989181 /nfs/dbraw/zinc/98/91/81/809989181.db2.gz ZUSBIAIMAHIYDP-CHWSQXEVSA-N 2 1 265.426 2.322 20 0 CEADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCCC2(CCCC2)C1 ZINC000923372650 810089334 /nfs/dbraw/zinc/08/93/34/810089334.db2.gz HJSGGJFOKTVGAE-AWEZNQCLSA-N 2 1 264.413 2.021 20 0 CEADMP Clc1cc2c(s1)CC[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923384573 810090583 /nfs/dbraw/zinc/09/05/83/810090583.db2.gz HVWFNGGRFFYOCD-NSHDSACASA-N 2 1 298.839 2.138 20 0 CEADMP Clc1cc2c(s1)CC[N@@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923384573 810090585 /nfs/dbraw/zinc/09/05/85/810090585.db2.gz HVWFNGGRFFYOCD-NSHDSACASA-N 2 1 298.839 2.138 20 0 CEADMP C[C@@H]1C[N@H+](CCc2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC001118241891 810133298 /nfs/dbraw/zinc/13/32/98/810133298.db2.gz QNKWVYXYYDLCOR-QMTHXVAHSA-N 2 1 254.324 2.176 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC001118241891 810133299 /nfs/dbraw/zinc/13/32/99/810133299.db2.gz QNKWVYXYYDLCOR-QMTHXVAHSA-N 2 1 254.324 2.176 20 0 CEADMP Cc1cc2c[nH+]c(NCC(C)(C)C[NH+](C)C)nc2[nH]1 ZINC001168764425 810185945 /nfs/dbraw/zinc/18/59/45/810185945.db2.gz UVWJAPHDOLSFTH-UHFFFAOYSA-N 2 1 261.373 2.218 20 0 CEADMP CC(C)[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082559429 810386402 /nfs/dbraw/zinc/38/64/02/810386402.db2.gz FIFUEOOVYGBVFT-OWCLPIDISA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001019468419 810712974 /nfs/dbraw/zinc/71/29/74/810712974.db2.gz URQVJRFKGUTWDI-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCS[C@@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000721420216 810803869 /nfs/dbraw/zinc/80/38/69/810803869.db2.gz JGAMQMJHIHPLOI-OUAUKWLOSA-N 2 1 282.375 2.354 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CC=C(C)C ZINC001038319657 810822665 /nfs/dbraw/zinc/82/26/65/810822665.db2.gz BNJDXAATANRIEV-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC=C(C)C ZINC001038319657 810822681 /nfs/dbraw/zinc/82/26/81/810822681.db2.gz BNJDXAATANRIEV-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC=C(C)C ZINC001038319657 810822688 /nfs/dbraw/zinc/82/26/88/810822688.db2.gz BNJDXAATANRIEV-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC=C(C)C ZINC001038319657 810822698 /nfs/dbraw/zinc/82/26/98/810822698.db2.gz BNJDXAATANRIEV-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1C(C)C ZINC001085688100 810876440 /nfs/dbraw/zinc/87/64/40/810876440.db2.gz BDVXKJJZQZCALS-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1C(C)C ZINC001085688100 810876452 /nfs/dbraw/zinc/87/64/52/810876452.db2.gz BDVXKJJZQZCALS-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1C(C)C ZINC001085688100 810876454 /nfs/dbraw/zinc/87/64/54/810876454.db2.gz BDVXKJJZQZCALS-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085688041 810876647 /nfs/dbraw/zinc/87/66/47/810876647.db2.gz AGOHKWHCJFIRDU-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085688041 810876656 /nfs/dbraw/zinc/87/66/56/810876656.db2.gz AGOHKWHCJFIRDU-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085688041 810876661 /nfs/dbraw/zinc/87/66/61/810876661.db2.gz AGOHKWHCJFIRDU-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085902812 810961825 /nfs/dbraw/zinc/96/18/25/810961825.db2.gz NHFYOPCCXJRUEL-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CCC(C)C)CC[N@H+]1C ZINC001273381867 810992503 /nfs/dbraw/zinc/99/25/03/810992503.db2.gz KVMMALJURAMSOI-JKSUJKDBSA-N 2 1 297.487 2.201 20 0 CEADMP CCOCC[C@H](C)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001172415820 815413700 /nfs/dbraw/zinc/41/37/00/815413700.db2.gz ICXZQCUBOPVJJS-AWEZNQCLSA-N 3 1 287.492 2.277 20 0 CEADMP [NH3+]Cc1ccc2ncn(-c3cccn4c[nH+]cc34)c2c1 ZINC001168848745 811279701 /nfs/dbraw/zinc/27/97/01/811279701.db2.gz XSNJELZXXUISFO-UHFFFAOYSA-N 2 1 263.304 2.132 20 0 CEADMP CCOC(CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OCC ZINC001169094979 811366658 /nfs/dbraw/zinc/36/66/58/811366658.db2.gz OJAKALKCCQZMJB-QDMKHBRRSA-N 2 1 284.444 2.381 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1c3ccccc3CC[C@@H]1O)C2 ZINC001169100694 811375246 /nfs/dbraw/zinc/37/52/46/811375246.db2.gz LISWLRBJMBOQGT-UXDQUXDASA-N 2 1 286.419 2.250 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1c3ccccc3CC[C@@H]1O)C2 ZINC001169100694 811375254 /nfs/dbraw/zinc/37/52/54/811375254.db2.gz LISWLRBJMBOQGT-UXDQUXDASA-N 2 1 286.419 2.250 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc3cc(C[NH3+])ccc3n1)C2 ZINC001169091222 811385239 /nfs/dbraw/zinc/38/52/39/811385239.db2.gz PRVCVJZHQXQPBA-QDMKHBRRSA-N 2 1 270.380 2.293 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001169122849 811389926 /nfs/dbraw/zinc/38/99/26/811389926.db2.gz FLGUSLHTDRXGMB-OVYGPGRDSA-N 2 1 279.472 2.320 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC001169122849 811389939 /nfs/dbraw/zinc/38/99/39/811389939.db2.gz FLGUSLHTDRXGMB-OVYGPGRDSA-N 2 1 279.472 2.320 20 0 CEADMP CC(C)[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC001169122849 811389946 /nfs/dbraw/zinc/38/99/46/811389946.db2.gz FLGUSLHTDRXGMB-OVYGPGRDSA-N 2 1 279.472 2.320 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001169122849 811389957 /nfs/dbraw/zinc/38/99/57/811389957.db2.gz FLGUSLHTDRXGMB-OVYGPGRDSA-N 3 1 279.472 2.320 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001169122849 811389967 /nfs/dbraw/zinc/38/99/67/811389967.db2.gz FLGUSLHTDRXGMB-OVYGPGRDSA-N 3 1 279.472 2.320 20 0 CEADMP CC(C)[NH+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC001169122849 811389978 /nfs/dbraw/zinc/38/99/78/811389978.db2.gz FLGUSLHTDRXGMB-OVYGPGRDSA-N 3 1 279.472 2.320 20 0 CEADMP CC(C)[NH+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC001169122849 811389988 /nfs/dbraw/zinc/38/99/88/811389988.db2.gz FLGUSLHTDRXGMB-OVYGPGRDSA-N 3 1 279.472 2.320 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](Oc3cccnc3)C1)C2 ZINC001169139699 811402093 /nfs/dbraw/zinc/40/20/93/811402093.db2.gz DPXBUYRATSLNLX-JYYAWHABSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H](Oc3cccnc3)C1)C2 ZINC001169139699 811402094 /nfs/dbraw/zinc/40/20/94/811402094.db2.gz DPXBUYRATSLNLX-JYYAWHABSA-N 2 1 287.407 2.160 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H](Oc3cccnc3)C1)C2 ZINC001169139699 811402095 /nfs/dbraw/zinc/40/20/95/811402095.db2.gz DPXBUYRATSLNLX-JYYAWHABSA-N 2 1 287.407 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1nc(-c3ccncc3)cc1C[NH3+])C2 ZINC001169109071 811402839 /nfs/dbraw/zinc/40/28/39/811402839.db2.gz XZBKWNYNLATGIY-FICVDOATSA-N 2 1 297.406 2.202 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1cnccn1)C2 ZINC001169141648 811408677 /nfs/dbraw/zinc/40/86/77/811408677.db2.gz RNAPOUSFNSPUGX-ORIJERBGSA-N 2 1 272.396 2.239 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1cnccn1)C2 ZINC001169141648 811408683 /nfs/dbraw/zinc/40/86/83/811408683.db2.gz RNAPOUSFNSPUGX-ORIJERBGSA-N 2 1 272.396 2.239 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1c1cnccn1)C2 ZINC001169141648 811408689 /nfs/dbraw/zinc/40/86/89/811408689.db2.gz RNAPOUSFNSPUGX-ORIJERBGSA-N 2 1 272.396 2.239 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1c1cnccn1)C2 ZINC001169141648 811408691 /nfs/dbraw/zinc/40/86/91/811408691.db2.gz RNAPOUSFNSPUGX-ORIJERBGSA-N 2 1 272.396 2.239 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc([O-])c(F)c2F)CCC[C@H]1C[NH3+] ZINC001206004091 811422689 /nfs/dbraw/zinc/42/26/89/811422689.db2.gz QAMPTPZMXMGZKI-MNOVXSKESA-N 2 1 284.350 2.477 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccc(O)c(F)c2F)CCC[C@H]1C[NH3+] ZINC001206004091 811422690 /nfs/dbraw/zinc/42/26/90/811422690.db2.gz QAMPTPZMXMGZKI-MNOVXSKESA-N 2 1 284.350 2.477 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(O)c(F)c2F)CCC[C@H]1C[NH3+] ZINC001206004091 811422698 /nfs/dbraw/zinc/42/26/98/811422698.db2.gz QAMPTPZMXMGZKI-MNOVXSKESA-N 2 1 284.350 2.477 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3nsnc3c2)CCC[C@H]1C[NH3+] ZINC001206004551 811427341 /nfs/dbraw/zinc/42/73/41/811427341.db2.gz TUDPZIOEZCOAJC-YPMHNXCESA-N 2 1 290.436 2.498 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2ccc(F)c(OC)c2)CC1 ZINC001169233383 811447190 /nfs/dbraw/zinc/44/71/90/811447190.db2.gz PJMONAXDMWDWOH-UHFFFAOYSA-N 2 1 266.360 2.408 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCc3ccc(O)cc3C2)CC1 ZINC001169233948 811449362 /nfs/dbraw/zinc/44/93/62/811449362.db2.gz YQWONNBAVCPETO-INIZCTEOSA-N 2 1 274.408 2.323 20 0 CEADMP CC(C)COCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172467614 815448863 /nfs/dbraw/zinc/44/88/63/815448863.db2.gz RUNXHMRRMSEYNL-XHSDSOJGSA-N 2 1 268.445 2.321 20 0 CEADMP CC(C)COCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001172467614 815448864 /nfs/dbraw/zinc/44/88/64/815448864.db2.gz RUNXHMRRMSEYNL-XHSDSOJGSA-N 2 1 268.445 2.321 20 0 CEADMP CC(C)COCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001172467614 815448867 /nfs/dbraw/zinc/44/88/67/815448867.db2.gz RUNXHMRRMSEYNL-XHSDSOJGSA-N 2 1 268.445 2.321 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001169444442 811511872 /nfs/dbraw/zinc/51/18/72/811511872.db2.gz PCVSWGLUJKRMFT-LVQVYYBASA-N 2 1 295.471 2.238 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001169444442 811511879 /nfs/dbraw/zinc/51/18/79/811511879.db2.gz PCVSWGLUJKRMFT-LVQVYYBASA-N 2 1 295.471 2.238 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1N ZINC001206011793 811512134 /nfs/dbraw/zinc/51/21/34/811512134.db2.gz GOTHFIYAJPVIKZ-CHWSQXEVSA-N 2 1 277.412 2.084 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(Cl)ncc2[O-])CCC[C@H]1C[NH3+] ZINC001206012376 811546670 /nfs/dbraw/zinc/54/66/70/811546670.db2.gz KXGHSDKLOFKMMK-QWRGUYRKSA-N 2 1 283.803 2.247 20 0 CEADMP C[C@H]1C[N@H+](Cc2cc(O)c(F)c(F)c2)CCC[C@H]1C[NH3+] ZINC001206013230 811586985 /nfs/dbraw/zinc/58/69/85/811586985.db2.gz QQKZLLRVDXMXRS-JQWIXIFHSA-N 2 1 284.350 2.477 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(O)c(F)c(F)c2)CCC[C@H]1C[NH3+] ZINC001206013230 811586987 /nfs/dbraw/zinc/58/69/87/811586987.db2.gz QQKZLLRVDXMXRS-JQWIXIFHSA-N 2 1 284.350 2.477 20 0 CEADMP CC[C@H](C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001045390618 811605373 /nfs/dbraw/zinc/60/53/73/811605373.db2.gz SDADUMMWZMENEA-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCOC(=O)N1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001169649910 811605844 /nfs/dbraw/zinc/60/58/44/811605844.db2.gz UVTUVBHOGQCKHV-LSDHHAIUSA-N 2 1 297.443 2.071 20 0 CEADMP COc1ncc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1F ZINC001206014479 811613834 /nfs/dbraw/zinc/61/38/34/811613834.db2.gz WURQNUHVFMOKMP-WCQYABFASA-N 2 1 281.375 2.036 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)o2)CC[C@@H]1F ZINC001206166175 815463554 /nfs/dbraw/zinc/46/35/54/815463554.db2.gz RGMFMLNSEVVFHE-UONOGXRCSA-N 2 1 281.375 2.141 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)o2)CC[C@@H]1F ZINC001206166175 815463556 /nfs/dbraw/zinc/46/35/56/815463556.db2.gz RGMFMLNSEVVFHE-UONOGXRCSA-N 2 1 281.375 2.141 20 0 CEADMP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169797852 811664134 /nfs/dbraw/zinc/66/41/34/811664134.db2.gz JTRIZTIGNUSDHT-HOCLYGCPSA-N 2 1 295.471 2.145 20 0 CEADMP COc1ccc(NCC23CC[NH+](CC2)CC3)[nH+]c1C ZINC001169800129 811664772 /nfs/dbraw/zinc/66/47/72/811664772.db2.gz MUKMRLUSOLVFFJ-UHFFFAOYSA-N 2 1 261.369 2.296 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3c2OCC3)CCC[C@H]1C[NH3+] ZINC001206022314 811686170 /nfs/dbraw/zinc/68/61/70/811686170.db2.gz BRNZXRTZFYXRRJ-ZFWWWQNUSA-N 2 1 274.408 2.428 20 0 CEADMP Cc1cnc(F)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206025658 811717735 /nfs/dbraw/zinc/71/77/35/811717735.db2.gz ORISVMFIVXLOGG-OLZOCXBDSA-N 2 1 265.376 2.336 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCC3(C1)OCCO3)C2 ZINC001169924407 811719021 /nfs/dbraw/zinc/71/90/21/811719021.db2.gz OQOKBSQPZLSVIN-FPCVCCKLSA-N 2 1 294.439 2.277 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCC3(C1)OCCO3)C2 ZINC001169924407 811719026 /nfs/dbraw/zinc/71/90/26/811719026.db2.gz OQOKBSQPZLSVIN-FPCVCCKLSA-N 2 1 294.439 2.277 20 0 CEADMP CC(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046308185 811733867 /nfs/dbraw/zinc/73/38/67/811733867.db2.gz GUIIWLXOMJFSFG-DOTOQJQBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046308185 811733872 /nfs/dbraw/zinc/73/38/72/811733872.db2.gz GUIIWLXOMJFSFG-DOTOQJQBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046308185 811733877 /nfs/dbraw/zinc/73/38/77/811733877.db2.gz GUIIWLXOMJFSFG-DOTOQJQBSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(C)(C)N(O)C(C)(C)C2)C1 ZINC001169975411 811805932 /nfs/dbraw/zinc/80/59/32/811805932.db2.gz TYZYPAUDPRMELV-ZDUSSCGKSA-N 2 1 283.460 2.329 20 0 CEADMP CCCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172584802 815477238 /nfs/dbraw/zinc/47/72/38/815477238.db2.gz ARDRORQIVCBDAL-CABCVRRESA-N 2 1 284.444 2.430 20 0 CEADMP CCCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172584802 815477243 /nfs/dbraw/zinc/47/72/43/815477243.db2.gz ARDRORQIVCBDAL-CABCVRRESA-N 2 1 284.444 2.430 20 0 CEADMP COCC[NH+]1CCC([NH2+]C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172652620 815482467 /nfs/dbraw/zinc/48/24/67/815482467.db2.gz BLWPXENAFZGXOZ-UHFFFAOYSA-N 2 1 298.471 2.423 20 0 CEADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109426953 811887402 /nfs/dbraw/zinc/88/74/02/811887402.db2.gz HAYKPRQYCBEKRC-UGUYLWEFSA-N 2 1 295.471 2.094 20 0 CEADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109464419 811893884 /nfs/dbraw/zinc/89/38/84/811893884.db2.gz ZGXUHASEICJKFU-ILXRZTDVSA-N 2 1 295.471 2.238 20 0 CEADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001109464419 811893891 /nfs/dbraw/zinc/89/38/91/811893891.db2.gz ZGXUHASEICJKFU-ILXRZTDVSA-N 2 1 295.471 2.238 20 0 CEADMP CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001109464419 811893898 /nfs/dbraw/zinc/89/38/98/811893898.db2.gz ZGXUHASEICJKFU-ILXRZTDVSA-N 2 1 295.471 2.238 20 0 CEADMP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674044 811926325 /nfs/dbraw/zinc/92/63/25/811926325.db2.gz YKAWVGKIJJGRSH-MXPMBAMNSA-N 2 1 293.455 2.016 20 0 CEADMP CN(c1c[nH+]c2c(Br)cccn12)C(C)(C)C[NH3+] ZINC001170059396 812015465 /nfs/dbraw/zinc/01/54/65/812015465.db2.gz IRINQMAHAZMTSM-UHFFFAOYSA-N 2 1 297.200 2.270 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112842975 812086229 /nfs/dbraw/zinc/08/62/29/812086229.db2.gz HQBNHGHBWRWKMJ-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112842975 812086237 /nfs/dbraw/zinc/08/62/37/812086237.db2.gz HQBNHGHBWRWKMJ-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C1 ZINC001170118989 812166620 /nfs/dbraw/zinc/16/66/20/812166620.db2.gz VTBYMKMRBBBKDL-CWRNSKLLSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C1 ZINC001170118989 812166623 /nfs/dbraw/zinc/16/66/23/812166623.db2.gz VTBYMKMRBBBKDL-CWRNSKLLSA-N 2 1 266.429 2.266 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172765465 815512868 /nfs/dbraw/zinc/51/28/68/815512868.db2.gz GFVYICQJQWIYAE-DGADGQDISA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](CCC[NH3+])C(C)C)CC1 ZINC001172768008 815513101 /nfs/dbraw/zinc/51/31/01/815513101.db2.gz NIQQMQWOUHMWPF-ZIAGYGMSSA-N 2 1 270.417 2.168 20 0 CEADMP CCOc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccn1 ZINC001206037819 812215855 /nfs/dbraw/zinc/21/58/55/812215855.db2.gz XXAPSXFRDCSYKM-UKRRQHHQSA-N 2 1 277.412 2.287 20 0 CEADMP CC(C)CC[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113355558 812226252 /nfs/dbraw/zinc/22/62/52/812226252.db2.gz AYJODOXETSSXHQ-UHFFFAOYSA-N 2 1 297.487 2.155 20 0 CEADMP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157702462 812335159 /nfs/dbraw/zinc/33/51/59/812335159.db2.gz UACCHUOXWFCDIN-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1N ZINC000063119709 812336369 /nfs/dbraw/zinc/33/63/69/812336369.db2.gz BORXBXJSAWHNKZ-UHFFFAOYSA-N 2 1 277.412 2.051 20 0 CEADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC001172792227 815524316 /nfs/dbraw/zinc/52/43/16/815524316.db2.gz PSHJUEHIHZCLKP-HOTGVXAUSA-N 2 1 296.455 2.382 20 0 CEADMP C[N@H+]1CCC[C@@H](NC2CC[NH+](CC3CCC3)CC2)CC1 ZINC001254510254 812428106 /nfs/dbraw/zinc/42/81/06/812428106.db2.gz UGMYEEFHZMILND-MRXNPFEDSA-N 2 1 279.472 2.325 20 0 CEADMP C[N@@H+]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001254510254 812428109 /nfs/dbraw/zinc/42/81/09/812428109.db2.gz UGMYEEFHZMILND-MRXNPFEDSA-N 3 1 279.472 2.325 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001254510254 812428115 /nfs/dbraw/zinc/42/81/15/812428115.db2.gz UGMYEEFHZMILND-MRXNPFEDSA-N 3 1 279.472 2.325 20 0 CEADMP CC(C)CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129417437 812492813 /nfs/dbraw/zinc/49/28/13/812492813.db2.gz OCEXCEOZFKMQLD-INIZCTEOSA-N 2 1 295.471 2.145 20 0 CEADMP c1cc(C2=C[NH2+]CCC2)ccc1C[NH+]1CCOCC1 ZINC001243953069 812601205 /nfs/dbraw/zinc/60/12/05/812601205.db2.gz SZVZWNJXOYHWNZ-UHFFFAOYSA-N 2 1 258.365 2.243 20 0 CEADMP C[C@@H](Nc1[nH+]ccc2cc(F)ccc21)[C@H]1C[NH2+]CCO1 ZINC001170565359 812683464 /nfs/dbraw/zinc/68/34/64/812683464.db2.gz UZSMAYRONHXHJP-QMTHXVAHSA-N 2 1 275.327 2.163 20 0 CEADMP [NH3+]C1(c2cccc(F)c2)CC[NH+](C2CCOCC2)CC1 ZINC001255034668 812693072 /nfs/dbraw/zinc/69/30/72/812693072.db2.gz KGOMYGGAGMARMX-UHFFFAOYSA-N 2 1 278.371 2.255 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3ccc(O)cc23)CC[C@H]1F ZINC001206185023 815559080 /nfs/dbraw/zinc/55/90/80/815559080.db2.gz KMWBMCHHSVJBSJ-KGLIPLIRSA-N 2 1 277.343 2.135 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2CC2)C1 ZINC001132376743 812836182 /nfs/dbraw/zinc/83/61/82/812836182.db2.gz QDRALIYNDYJMQW-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2CC2)C1 ZINC001132376746 812837157 /nfs/dbraw/zinc/83/71/57/812837157.db2.gz QDRALIYNDYJMQW-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132376710 812837824 /nfs/dbraw/zinc/83/78/24/812837824.db2.gz PQTKTJGCCJGVCY-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132432581 812847755 /nfs/dbraw/zinc/84/77/55/812847755.db2.gz DWWCKKVZLNZAFK-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC(C)C)C1 ZINC001132442049 812856233 /nfs/dbraw/zinc/85/62/33/812856233.db2.gz WAUXGXPJEXMEPQ-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC(C)C)C1 ZINC001132442049 812856242 /nfs/dbraw/zinc/85/62/42/812856242.db2.gz WAUXGXPJEXMEPQ-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC(C)C)C1 ZINC001132442049 812856250 /nfs/dbraw/zinc/85/62/50/812856250.db2.gz WAUXGXPJEXMEPQ-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001172948851 815562192 /nfs/dbraw/zinc/56/21/92/815562192.db2.gz CTNBBJHQTGWGSM-OLZOCXBDSA-N 2 1 285.432 2.055 20 0 CEADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@H+]1CCC[C@H]1C[NH3+] ZINC001172948851 815562197 /nfs/dbraw/zinc/56/21/97/815562197.db2.gz CTNBBJHQTGWGSM-OLZOCXBDSA-N 2 1 285.432 2.055 20 0 CEADMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@@H]2CCSC2)C2CCOCC2)CC1 ZINC001255280393 813038986 /nfs/dbraw/zinc/03/89/86/813038986.db2.gz XOCRJVFTSSZIHP-UMVBOHGHSA-N 2 1 284.469 2.243 20 0 CEADMP C[N@H+]1CC[C@H](Nc2ccc(Br)cc2C[NH3+])C1 ZINC001255419762 813106346 /nfs/dbraw/zinc/10/63/46/813106346.db2.gz BILFCXBQTKOQFK-NSHDSACASA-N 2 1 284.201 2.024 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000384109486 813112860 /nfs/dbraw/zinc/11/28/60/813112860.db2.gz LSXIBIHBZDZQNQ-NXHRZFHOSA-N 2 1 288.435 2.381 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cc(F)cc(F)c4C3)C[C@@H]2C1 ZINC001170706519 813154461 /nfs/dbraw/zinc/15/44/61/813154461.db2.gz GGDQZAMRXGFUNC-VNHYZAJKSA-N 2 1 292.373 2.316 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4cc(F)cc(F)c4C3)C[C@@H]2C1 ZINC001170706519 813154464 /nfs/dbraw/zinc/15/44/64/813154464.db2.gz GGDQZAMRXGFUNC-VNHYZAJKSA-N 2 1 292.373 2.316 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4cc(F)cc(F)c4C3)C[C@@H]2C1 ZINC001170706519 813154469 /nfs/dbraw/zinc/15/44/69/813154469.db2.gz GGDQZAMRXGFUNC-VNHYZAJKSA-N 2 1 292.373 2.316 20 0 CEADMP C[C@@H]([NH2+]CCSC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000386588234 813183624 /nfs/dbraw/zinc/18/36/24/813183624.db2.gz QQKIJFROHQKMGW-RKDXNWHRSA-N 2 1 256.337 2.360 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4ncsc4C3)C2)C1 ZINC001173141846 815600215 /nfs/dbraw/zinc/60/02/15/815600215.db2.gz RBVWVCNLDYXBJE-DOMZBBRYSA-N 2 1 277.437 2.028 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCc4ncsc4C3)C2)C1 ZINC001173141846 815600219 /nfs/dbraw/zinc/60/02/19/815600219.db2.gz RBVWVCNLDYXBJE-DOMZBBRYSA-N 2 1 277.437 2.028 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCc4ncsc4C3)C2)C1 ZINC001173141846 815600222 /nfs/dbraw/zinc/60/02/22/815600222.db2.gz RBVWVCNLDYXBJE-DOMZBBRYSA-N 2 1 277.437 2.028 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4ncsc4C3)C2)C1 ZINC001173141848 815600354 /nfs/dbraw/zinc/60/03/54/815600354.db2.gz RBVWVCNLDYXBJE-IUODEOHRSA-N 2 1 277.437 2.028 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCc4ncsc4C3)C2)C1 ZINC001173141848 815600356 /nfs/dbraw/zinc/60/03/56/815600356.db2.gz RBVWVCNLDYXBJE-IUODEOHRSA-N 2 1 277.437 2.028 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCc4ncsc4C3)C2)C1 ZINC001173141848 815600359 /nfs/dbraw/zinc/60/03/59/815600359.db2.gz RBVWVCNLDYXBJE-IUODEOHRSA-N 2 1 277.437 2.028 20 0 CEADMP C[C@H](COCc1ccccc1)C[N@H+]1CCC[NH2+]CC1 ZINC000390116772 813258563 /nfs/dbraw/zinc/25/85/63/813258563.db2.gz CUJOIPIGBAEOCS-HNNXBMFYSA-N 2 1 262.397 2.135 20 0 CEADMP Fc1cc(F)cc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000394223434 813365617 /nfs/dbraw/zinc/36/56/17/813365617.db2.gz DXTGIRIGZGKEHP-URLAMEQQSA-N 2 1 278.346 2.093 20 0 CEADMP CC(C)n1nccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000394658863 813437929 /nfs/dbraw/zinc/43/79/29/813437929.db2.gz ZAYCTESOZGXXKB-UHFFFAOYSA-N 2 1 250.390 2.166 20 0 CEADMP CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086742131 813467709 /nfs/dbraw/zinc/46/77/09/813467709.db2.gz ZFHAUZUXSUKQAK-XHSDSOJGSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072072372 813542112 /nfs/dbraw/zinc/54/21/12/813542112.db2.gz JJLBHOCDOOLJRW-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@]([NH3+])(CO)Nc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001170865772 813565239 /nfs/dbraw/zinc/56/52/39/813565239.db2.gz IJAFERCOQLDMBU-INIZCTEOSA-N 2 1 275.396 2.157 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(C)C ZINC001135995174 813582214 /nfs/dbraw/zinc/58/22/14/813582214.db2.gz ARDNRAFTOWBGMR-CABCVRRESA-N 2 1 285.476 2.247 20 0 CEADMP Cc1cnccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000397529479 813624502 /nfs/dbraw/zinc/62/45/02/813624502.db2.gz WHRAOLQRHDSZAG-MQVJKMGUSA-N 2 1 259.397 2.147 20 0 CEADMP CC[N@@H+](Cc1ccc(C)c(C)c1)C[C@@]1(O)CCC[NH2+]C1 ZINC001246060794 813668122 /nfs/dbraw/zinc/66/81/22/813668122.db2.gz DMRNXJGLDLJTCU-QGZVFWFLSA-N 2 1 276.424 2.240 20 0 CEADMP C1CCC2(CC1)C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CC[NH2+]2 ZINC001246097030 813685680 /nfs/dbraw/zinc/68/56/80/813685680.db2.gz MRTNWZRCJJIIMA-CABCVRRESA-N 3 1 265.445 2.173 20 0 CEADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]C2)CC[NH2+]1 ZINC001246113117 813704611 /nfs/dbraw/zinc/70/46/11/813704611.db2.gz RZUXXGOAUGCDQP-ILXRZTDVSA-N 3 1 267.461 2.132 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC000399266585 813705041 /nfs/dbraw/zinc/70/50/41/813705041.db2.gz RTJBCZWVMITVLS-UTLUCORTSA-N 2 1 251.201 2.239 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCc2cccc(F)c2C1 ZINC001170970139 813708544 /nfs/dbraw/zinc/70/85/44/813708544.db2.gz KPIBTXUBDGUHHE-YPMHNXCESA-N 2 1 250.361 2.210 20 0 CEADMP CC[C@H]1CC([NH2+]CC[C@H]2CCC[NH2+]2)C[C@H](CC)[NH2+]1 ZINC001246272447 813757269 /nfs/dbraw/zinc/75/72/69/813757269.db2.gz LHIGHLREGDIRBV-MELADBBJSA-N 3 1 253.434 2.027 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H]1COc2ccc(Cl)cc2C1 ZINC001246331915 813782714 /nfs/dbraw/zinc/78/27/14/813782714.db2.gz KQZPPKNYZHIYIA-CHWSQXEVSA-N 2 1 268.788 2.216 20 0 CEADMP C[C@H]1CC[C@H](N[C@H]2CC[N@@H+](CC3CCCCC3)C2)C[NH2+]1 ZINC001246360238 813799474 /nfs/dbraw/zinc/79/94/74/813799474.db2.gz GUHMXCJFMUBJKZ-XIRDDKMYSA-N 2 1 279.472 2.371 20 0 CEADMP CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246369599 813806740 /nfs/dbraw/zinc/80/67/40/813806740.db2.gz CEZJIHZXIQYJOK-QLFBSQMISA-N 3 1 267.461 2.275 20 0 CEADMP [NH3+][C@H]1CC[N@@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171094015 813858618 /nfs/dbraw/zinc/85/86/18/813858618.db2.gz JPWKTJBNKBHCCB-UONOGXRCSA-N 2 1 250.773 2.230 20 0 CEADMP [NH3+][C@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171094015 813858622 /nfs/dbraw/zinc/85/86/22/813858622.db2.gz JPWKTJBNKBHCCB-UONOGXRCSA-N 2 1 250.773 2.230 20 0 CEADMP COc1cccc(C[C@@H](C)[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001246537652 813937293 /nfs/dbraw/zinc/93/72/93/813937293.db2.gz JFAMAPISWNFTIH-GUTXKFCHSA-N 2 1 262.397 2.438 20 0 CEADMP COc1cccc(C[C@@H](C)[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001246537652 813937299 /nfs/dbraw/zinc/93/72/99/813937299.db2.gz JFAMAPISWNFTIH-GUTXKFCHSA-N 2 1 262.397 2.438 20 0 CEADMP C[C@H]1C[N@H+]([C@H]2Cc3cccc(Cl)c3C2)C[C@H]1C[NH3+] ZINC001246538527 813945997 /nfs/dbraw/zinc/94/59/97/813945997.db2.gz CJGQXGLTUZGFAM-UHTWSYAYSA-N 2 1 264.800 2.334 20 0 CEADMP CCOC(=O)N1CCC[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246550003 814003358 /nfs/dbraw/zinc/00/33/58/814003358.db2.gz IXJWTNLFUCTFNZ-GOEBONIOSA-N 2 1 297.443 2.201 20 0 CEADMP C[C@H]1CC[N@H+](C2CCC3(COC3)CC2)CC[C@H]1C[NH3+] ZINC001246559022 814040394 /nfs/dbraw/zinc/04/03/94/814040394.db2.gz OJXPACIFMNRUDO-KBPBESRZSA-N 2 1 266.429 2.252 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H](O)[C@@H](C)C1 ZINC001255957684 814060591 /nfs/dbraw/zinc/06/05/91/814060591.db2.gz USAQHQOWIKSCQY-SOUVJXGZSA-N 2 1 256.434 2.200 20 0 CEADMP CCC(=O)NC1CC[NH+]([C@@H](C)CC[NH+](CC)CC)CC1 ZINC001255964174 814064157 /nfs/dbraw/zinc/06/41/57/814064157.db2.gz PTPXXJYJJCXSFW-AWEZNQCLSA-N 2 1 283.460 2.097 20 0 CEADMP CCOC(=O)N1CC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001256014137 814068951 /nfs/dbraw/zinc/06/89/51/814068951.db2.gz LIOBLCBYNGJEMV-LSDHHAIUSA-N 2 1 297.443 2.071 20 0 CEADMP CCOC(=O)N1CCC[C@@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC001246581397 814152424 /nfs/dbraw/zinc/15/24/24/814152424.db2.gz JUFUVJMHDLKMSY-LSDHHAIUSA-N 2 1 297.443 2.058 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](C2CCC(F)(F)CC2)CC[C@H]1F ZINC001246584288 814164346 /nfs/dbraw/zinc/16/43/46/814164346.db2.gz IXXHFPYLKRZJGE-MNOVXSKESA-N 2 1 250.308 2.326 20 0 CEADMP [NH3+][C@H]1CC[N@H+](C2CCC(F)(F)CC2)CC[C@H]1F ZINC001246584288 814164352 /nfs/dbraw/zinc/16/43/52/814164352.db2.gz IXXHFPYLKRZJGE-MNOVXSKESA-N 2 1 250.308 2.326 20 0 CEADMP [NH3+]C[C@H]1CCCC[N@H+](C2Cc3cc(F)c(F)cc3C2)C1 ZINC001246585993 814168530 /nfs/dbraw/zinc/16/85/30/814168530.db2.gz ZKTAAEDZFYHINA-LLVKDONJSA-N 2 1 280.362 2.493 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246598161 814195435 /nfs/dbraw/zinc/19/54/35/814195435.db2.gz ZXOMVVVALVKNGZ-JALIKCBVSA-N 2 1 252.402 2.147 20 0 CEADMP c1nc2c(s1)C[C@H]([N@H+]1CCC[C@]13CCC[NH2+]C3)CC2 ZINC001246607624 814207216 /nfs/dbraw/zinc/20/72/16/814207216.db2.gz GWDFCCDCKTYQEQ-DOMZBBRYSA-N 2 1 277.437 2.218 20 0 CEADMP c1nc2c(s1)C[C@H]([N@@H+]1CCC[C@]13CCC[NH2+]C3)CC2 ZINC001246607624 814207224 /nfs/dbraw/zinc/20/72/24/814207224.db2.gz GWDFCCDCKTYQEQ-DOMZBBRYSA-N 2 1 277.437 2.218 20 0 CEADMP CC(C)OCC[C@@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246613413 814214477 /nfs/dbraw/zinc/21/44/77/814214477.db2.gz ZGBACIBCMPGPSZ-HUUCEWRRSA-N 2 1 254.418 2.408 20 0 CEADMP C[NH2+]C1CCC([N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001246647793 814244231 /nfs/dbraw/zinc/24/42/31/814244231.db2.gz UDNCRDGERYGPEZ-OFLPRAFFSA-N 3 1 279.472 2.371 20 0 CEADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246872183 814322360 /nfs/dbraw/zinc/32/23/60/814322360.db2.gz PNZKCFNJROBXJJ-NUEKZKHPSA-N 2 1 267.461 2.309 20 0 CEADMP C[NH2+]C1CCC([N@@H+](C)C2CCC3(CC[NH2+]C3)CC2)CC1 ZINC001246921897 814413938 /nfs/dbraw/zinc/41/39/38/814413938.db2.gz SWSQEVYIFUTDTN-UHFFFAOYSA-N 3 1 279.472 2.371 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CCC)C[C@H]1C ZINC001103662870 814515528 /nfs/dbraw/zinc/51/55/28/814515528.db2.gz XXMGNFGPESXBFH-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CCC)C[C@H]1C ZINC001103662870 814515531 /nfs/dbraw/zinc/51/55/31/814515531.db2.gz XXMGNFGPESXBFH-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CCC)C[C@H]1C ZINC001103662870 814515533 /nfs/dbraw/zinc/51/55/33/814515533.db2.gz XXMGNFGPESXBFH-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP [NH3+]Cc1ccc2cn(-c3cccn4c[nH+]cc34)nc2c1 ZINC001171324371 814540907 /nfs/dbraw/zinc/54/09/07/814540907.db2.gz ZSWINNVNFKHXGM-UHFFFAOYSA-N 2 1 263.304 2.132 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CCC1CCCCC1 ZINC001148570789 814583008 /nfs/dbraw/zinc/58/30/08/814583008.db2.gz LZGXFXOBVHYCLK-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP COc1ccc(C)cc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000697873059 814652471 /nfs/dbraw/zinc/65/24/71/814652471.db2.gz SMQLIUYHOBFHGF-ZDUSSCGKSA-N 2 1 250.386 2.433 20 0 CEADMP Cc1c(Cl)cccc1-c1noc([C@@H]([NH3+])CCC[NH3+])n1 ZINC001247510124 814684719 /nfs/dbraw/zinc/68/47/19/814684719.db2.gz YJAGAKVKXOZGKY-NSHDSACASA-N 2 1 280.759 2.437 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1CCOc1ccc(F)cc1 ZINC000712577836 814753483 /nfs/dbraw/zinc/75/34/83/814753483.db2.gz SKXITJAPWGVEIC-UHFFFAOYSA-N 2 1 266.360 2.278 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1CCOc1ccc(F)cc1 ZINC000712577836 814753491 /nfs/dbraw/zinc/75/34/91/814753491.db2.gz SKXITJAPWGVEIC-UHFFFAOYSA-N 2 1 266.360 2.278 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)CC2(C)C)CC1 ZINC001116210171 814840168 /nfs/dbraw/zinc/84/01/68/814840168.db2.gz XKTCESIDBSTBSP-UHFFFAOYSA-N 2 1 295.471 2.399 20 0 CEADMP c1ccc(OCC[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000713228344 814847619 /nfs/dbraw/zinc/84/76/19/814847619.db2.gz OZULJTODGVXRJD-UHFFFAOYSA-N 2 1 260.381 2.283 20 0 CEADMP c1ccc(OCC[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000713228344 814847624 /nfs/dbraw/zinc/84/76/24/814847624.db2.gz OZULJTODGVXRJD-UHFFFAOYSA-N 2 1 260.381 2.283 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCOC(F)(F)F)[C@@H]1CC[NH3+] ZINC000713418873 814852009 /nfs/dbraw/zinc/85/20/09/814852009.db2.gz BYMMDMFAMYONJJ-GHMZBOCLSA-N 2 1 268.323 2.362 20 0 CEADMP [NH3+]CCc1c[nH+]cn1[C@@H]1CCc2c(F)cccc2C1 ZINC001171394417 814853250 /nfs/dbraw/zinc/85/32/50/814853250.db2.gz SNIXICFOGUOTHG-GFCCVEGCSA-N 2 1 259.328 2.253 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)OC1 ZINC000713584956 814865835 /nfs/dbraw/zinc/86/58/35/814865835.db2.gz HOUPGUOSXIDGQX-GBJTYRQASA-N 2 1 266.429 2.251 20 0 CEADMP [NH3+]C[C@H]1COc2ccccc2N1c1ccc2[nH]c[nH+]c2c1 ZINC001171395269 814866836 /nfs/dbraw/zinc/86/68/36/814866836.db2.gz DZBRDIPQOPJYLD-LBPRGKRZSA-N 2 1 280.331 2.421 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)O1 ZINC000714320497 814893052 /nfs/dbraw/zinc/89/30/52/814893052.db2.gz KBSIBISWTYJKPR-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4ncsc4C3)C2)C1 ZINC001173141851 815601585 /nfs/dbraw/zinc/60/15/85/815601585.db2.gz RBVWVCNLDYXBJE-WFASDCNBSA-N 2 1 277.437 2.028 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCc4ncsc4C3)C2)C1 ZINC001173141851 815601590 /nfs/dbraw/zinc/60/15/90/815601590.db2.gz RBVWVCNLDYXBJE-WFASDCNBSA-N 2 1 277.437 2.028 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCc4ncsc4C3)C2)C1 ZINC001173141851 815601595 /nfs/dbraw/zinc/60/15/95/815601595.db2.gz RBVWVCNLDYXBJE-WFASDCNBSA-N 2 1 277.437 2.028 20 0 CEADMP CC[N@H+]1CC[C@H](n2cc(CC[NH3+])c3cc(OC)ccc32)C1 ZINC001173348889 815685108 /nfs/dbraw/zinc/68/51/08/815685108.db2.gz WBMGOLNCCROKEM-AWEZNQCLSA-N 2 1 287.407 2.418 20 0 CEADMP COC(=O)CCCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001173437285 815714494 /nfs/dbraw/zinc/71/44/94/815714494.db2.gz KYPUDTOWXCWASB-CABCVRRESA-N 2 1 284.444 2.430 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC001173630202 815771130 /nfs/dbraw/zinc/77/11/30/815771130.db2.gz PIWZCFRTEQKRNT-XSCHDIRWSA-N 2 1 282.428 2.310 20 0 CEADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)CC(C)(C)C ZINC001139324971 816003948 /nfs/dbraw/zinc/00/39/48/816003948.db2.gz WQCMGNGFUIZXAC-UHFFFAOYSA-N 2 1 296.484 2.373 20 0 CEADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)CC(C)(C)C ZINC001139324971 816003955 /nfs/dbraw/zinc/00/39/55/816003955.db2.gz WQCMGNGFUIZXAC-UHFFFAOYSA-N 2 1 296.484 2.373 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CCC[C@H]1O ZINC001139355843 816011674 /nfs/dbraw/zinc/01/16/74/816011674.db2.gz CDAHUHNDWVWPSL-WMLDXEAASA-N 2 1 285.391 2.465 20 0 CEADMP C[N@H+](Cc1cnc2cccnc2c1)CC1CC[NH+](C)CC1 ZINC001139741570 816101707 /nfs/dbraw/zinc/10/17/07/816101707.db2.gz MUQZXUOXLAMSCL-UHFFFAOYSA-N 2 1 284.407 2.403 20 0 CEADMP CC(C)[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175262601 816164627 /nfs/dbraw/zinc/16/46/27/816164627.db2.gz IHGUUAYJLAEZRL-CABCVRRESA-N 2 1 283.460 2.001 20 0 CEADMP Cc1cc(Nc2c[nH+]ccc2N2CCN(C)CC2)cc(C)[nH+]1 ZINC001176051263 816341719 /nfs/dbraw/zinc/34/17/19/816341719.db2.gz DCKVRORNCHSVJV-UHFFFAOYSA-N 2 1 297.406 2.011 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC ZINC001176268552 816385667 /nfs/dbraw/zinc/38/56/67/816385667.db2.gz KWIUHWZLTIVLRE-AWEZNQCLSA-N 2 1 271.449 2.003 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001176366885 816402865 /nfs/dbraw/zinc/40/28/65/816402865.db2.gz CIWTUVYXBJYVIY-RDJZCZTQSA-N 2 1 295.471 2.147 20 0 CEADMP CC1(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)CCOCC1 ZINC001206293224 816520335 /nfs/dbraw/zinc/52/03/35/816520335.db2.gz GUVLPLKIEHMWCD-AWEZNQCLSA-N 2 1 254.418 2.254 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(Cl)c(C)c2)C1 ZINC001177319151 816546601 /nfs/dbraw/zinc/54/66/01/816546601.db2.gz ZBCNUBOYEABGPQ-LBPRGKRZSA-N 2 1 267.804 2.475 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(Cl)c(C)c2)C1 ZINC001177319151 816546609 /nfs/dbraw/zinc/54/66/09/816546609.db2.gz ZBCNUBOYEABGPQ-LBPRGKRZSA-N 2 1 267.804 2.475 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOc2ccccc2C)CC[C@@H]1[NH3+] ZINC000122712668 816579959 /nfs/dbraw/zinc/57/99/59/816579959.db2.gz OWXRHWJMZZWBMG-CABCVRRESA-N 2 1 262.397 2.433 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2scc3c2OCCO3)CC1 ZINC001206310892 816654124 /nfs/dbraw/zinc/65/41/24/816654124.db2.gz FATSQIYWPWJPNO-HNNXBMFYSA-N 2 1 296.436 2.470 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001178045216 816663822 /nfs/dbraw/zinc/66/38/22/816663822.db2.gz GPZZQBSOONXWBV-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP COc1ccoc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206326937 816729805 /nfs/dbraw/zinc/72/98/05/816729805.db2.gz QVMPINPEUGNDQT-CQSZACIVSA-N 2 1 252.358 2.239 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCCCCCC[NH2+]CC1CC1 ZINC001178853270 816804922 /nfs/dbraw/zinc/80/49/22/816804922.db2.gz GLMXZKLDSUVQFT-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP [NH3+]CCSC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2)no1 ZINC001206631334 816851792 /nfs/dbraw/zinc/85/17/92/816851792.db2.gz VAUBUDULOJJXAG-JTQLQIEISA-N 2 1 298.799 2.082 20 0 CEADMP CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001179549518 816878310 /nfs/dbraw/zinc/87/83/10/816878310.db2.gz BZLKZRSHOZBYSW-GJZGRUSLSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001179590248 816881120 /nfs/dbraw/zinc/88/11/20/816881120.db2.gz FOLXFRVUSYDALS-HZPDHXFCSA-N 2 1 297.487 2.106 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+][C@H](C)C[N@H+](C)C(C)C)C1 ZINC000601280987 346812316 /nfs/dbraw/zinc/81/23/16/346812316.db2.gz VQACMVDBSNBFSQ-DNOWBOINSA-N 2 1 270.417 2.037 20 0 CEADMP CCOC(=O)C1(C)CC([NH2+][C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000601280987 346812319 /nfs/dbraw/zinc/81/23/19/346812319.db2.gz VQACMVDBSNBFSQ-DNOWBOINSA-N 2 1 270.417 2.037 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3cccnc3o2)C1 ZINC000449090164 282096310 /nfs/dbraw/zinc/09/63/10/282096310.db2.gz MDKNAYXYFSMVLU-GFCCVEGCSA-N 2 1 259.353 2.259 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc3cccnc3o2)C1 ZINC000449090164 282096312 /nfs/dbraw/zinc/09/63/12/282096312.db2.gz MDKNAYXYFSMVLU-GFCCVEGCSA-N 2 1 259.353 2.259 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H]3CCO[C@@H]3C)CC2)[nH+]1 ZINC000121230370 365537854 /nfs/dbraw/zinc/53/78/54/365537854.db2.gz BPSLRQMBYIIPBM-HIFRSBDPSA-N 2 1 275.396 2.126 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCc2c1cnn2C ZINC000121525863 365579959 /nfs/dbraw/zinc/57/99/59/365579959.db2.gz GNQPDMSHAUHMDT-WFASDCNBSA-N 2 1 287.411 2.228 20 0 CEADMP Cc1ccc2nc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)cn2c1 ZINC000336527168 365599078 /nfs/dbraw/zinc/59/90/78/365599078.db2.gz FAHDCDNACZCSSF-DZGCQCFKSA-N 2 1 272.396 2.073 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337510082 214129700 /nfs/dbraw/zinc/12/97/00/214129700.db2.gz IGRVOYUFODHYTH-VGWMRTNUSA-N 2 1 266.429 2.408 20 0 CEADMP C(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)COCC1CC1 ZINC000127786198 187332870 /nfs/dbraw/zinc/33/28/70/187332870.db2.gz FROBHRUQZPTBIO-LSDHHAIUSA-N 2 1 252.402 2.020 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[NH2+]CCC)CC1 ZINC000449130655 282111754 /nfs/dbraw/zinc/11/17/54/282111754.db2.gz ZXJKWBCKINSYBT-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000034996651 361802840 /nfs/dbraw/zinc/80/28/40/361802840.db2.gz BSHUXRRBMAMVDA-UHFFFAOYSA-N 2 1 270.380 2.056 20 0 CEADMP Cc1noc(C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000124981657 187164757 /nfs/dbraw/zinc/16/47/57/187164757.db2.gz BQTDMHWFMAKDPM-CQSZACIVSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1noc(C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000124981657 187164758 /nfs/dbraw/zinc/16/47/58/187164758.db2.gz BQTDMHWFMAKDPM-CQSZACIVSA-N 2 1 278.400 2.042 20 0 CEADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122841995 365632849 /nfs/dbraw/zinc/63/28/49/365632849.db2.gz ZTCLYXGIZJHVBG-HNNXBMFYSA-N 2 1 293.430 2.456 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000449155412 282123303 /nfs/dbraw/zinc/12/33/03/282123303.db2.gz PQESUUPVQLKOSU-GJZGRUSLSA-N 2 1 297.487 2.105 20 0 CEADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000335492878 212170058 /nfs/dbraw/zinc/17/00/58/212170058.db2.gz SPTAKTFNDQDDSP-ZANVPECISA-N 2 1 252.308 2.151 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000079921246 343994664 /nfs/dbraw/zinc/99/46/64/343994664.db2.gz PJMNUZWCAJLDMK-UHFFFAOYSA-N 2 1 275.400 2.392 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000124457570 365653897 /nfs/dbraw/zinc/65/38/97/365653897.db2.gz WPRYCNKHVHECLD-CVEARBPZSA-N 2 1 297.487 2.057 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+]C(C2CC2)C2CC2)CC1 ZINC000124363481 365649977 /nfs/dbraw/zinc/64/99/77/365649977.db2.gz MEGFYXSEIWMTME-UHFFFAOYSA-N 2 1 279.472 2.038 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000449163043 282127040 /nfs/dbraw/zinc/12/70/40/282127040.db2.gz LDMGWXLAXZXCJF-CQSZACIVSA-N 2 1 294.443 2.064 20 0 CEADMP CCOc1cncc(C[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000621328136 349562432 /nfs/dbraw/zinc/56/24/32/349562432.db2.gz HQAQSUIOSKEHDM-UHFFFAOYSA-N 2 1 265.401 2.300 20 0 CEADMP CCOc1cncc(C[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000621328136 349562434 /nfs/dbraw/zinc/56/24/34/349562434.db2.gz HQAQSUIOSKEHDM-UHFFFAOYSA-N 2 1 265.401 2.300 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000036300537 361839283 /nfs/dbraw/zinc/83/92/83/361839283.db2.gz KZTXIIBKKRDMLS-UHFFFAOYSA-N 2 1 262.397 2.366 20 0 CEADMP [NH3+]C1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000036754334 361854429 /nfs/dbraw/zinc/85/44/29/361854429.db2.gz DOXMURUNMWWUSU-UHFFFAOYSA-N 2 1 259.328 2.297 20 0 CEADMP Cc1[nH+]ccn1CCCCN1CC[NH+](CC(C)C)CC1 ZINC000125416827 187183666 /nfs/dbraw/zinc/18/36/66/187183666.db2.gz IRFKSLVMIUJKSR-UHFFFAOYSA-N 2 1 278.444 2.245 20 0 CEADMP CC[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000037617891 361912597 /nfs/dbraw/zinc/91/25/97/361912597.db2.gz FTHZNGJUULQCOE-NVXWUHKLSA-N 2 1 275.440 2.363 20 0 CEADMP CC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000037688502 361921531 /nfs/dbraw/zinc/92/15/31/361921531.db2.gz UBYKQMRFKUPSJH-INIZCTEOSA-N 2 1 262.397 2.012 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337998414 214354045 /nfs/dbraw/zinc/35/40/45/214354045.db2.gz MCBDQHJGIUIZKQ-ROUUACIJSA-N 2 1 293.499 2.428 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000621649505 349650240 /nfs/dbraw/zinc/65/02/40/349650240.db2.gz KDJVNADTYOKZBR-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000166570885 539165453 /nfs/dbraw/zinc/16/54/53/539165453.db2.gz CUBAOEVZDBQWHK-JKSUJKDBSA-N 2 1 259.397 2.149 20 0 CEADMP Cc1nccnc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000621712380 349671332 /nfs/dbraw/zinc/67/13/32/349671332.db2.gz AAQFHBLPJMIGLM-UHFFFAOYSA-N 2 1 276.428 2.337 20 0 CEADMP C[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000449318504 282186399 /nfs/dbraw/zinc/18/63/99/282186399.db2.gz GRSMQLLSDFUKIC-KLHDSHLOSA-N 2 1 295.471 2.131 20 0 CEADMP Cc1[nH]nc2ncc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cc12 ZINC000567724765 299082019 /nfs/dbraw/zinc/08/20/19/299082019.db2.gz IJEFCIIPXSIDCD-GFCCVEGCSA-N 2 1 299.422 2.230 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccn1 ZINC000621776457 349699492 /nfs/dbraw/zinc/69/94/92/349699492.db2.gz LJSCOGVWKJZFOE-JKSUJKDBSA-N 2 1 259.397 2.354 20 0 CEADMP C[C@]12COC[C@@H]1C[N@@H+](Cc1cc(-n3ccnc3)cs1)C2 ZINC000668597231 539207988 /nfs/dbraw/zinc/20/79/88/539207988.db2.gz SAMURLCIWGXMSA-WFASDCNBSA-N 2 1 289.404 2.402 20 0 CEADMP COc1ccc(OCCC[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621780166 349701131 /nfs/dbraw/zinc/70/11/31/349701131.db2.gz OBSQGQFDMHCLBS-YOEHRIQHSA-N 2 1 290.407 2.277 20 0 CEADMP COc1ccc(OCCC[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621780166 349701134 /nfs/dbraw/zinc/70/11/34/349701134.db2.gz OBSQGQFDMHCLBS-YOEHRIQHSA-N 2 1 290.407 2.277 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)[C@H]2CCC[C@H]21 ZINC000621768546 349696070 /nfs/dbraw/zinc/69/60/70/349696070.db2.gz RBJCFDVAIXWXGP-FVCCEPFGSA-N 2 1 258.356 2.494 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000668668103 539230682 /nfs/dbraw/zinc/23/06/82/539230682.db2.gz PBHJOLZZODUOPC-CAOSSQGBSA-N 2 1 264.413 2.018 20 0 CEADMP CC(C)[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C[C@H](C)O ZINC000093143537 539234346 /nfs/dbraw/zinc/23/43/46/539234346.db2.gz DLMWNVJIENVYIV-HNNXBMFYSA-N 2 1 294.439 2.218 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449364734 282201678 /nfs/dbraw/zinc/20/16/78/282201678.db2.gz OLSOSYOMWUFSHP-JYJNAYRXSA-N 2 1 295.471 2.227 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC000622004322 349764715 /nfs/dbraw/zinc/76/47/15/349764715.db2.gz NKGLBGYXSGTQAG-FUHWJXTLSA-N 2 1 286.419 2.367 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000336825167 282204969 /nfs/dbraw/zinc/20/49/69/282204969.db2.gz XJIRKSQGTWURNW-HOTGVXAUSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000336825167 282204970 /nfs/dbraw/zinc/20/49/70/282204970.db2.gz XJIRKSQGTWURNW-HOTGVXAUSA-N 2 1 277.412 2.330 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@H]1CC1(F)F ZINC000622016947 349771126 /nfs/dbraw/zinc/77/11/26/349771126.db2.gz WBHYRIMGJZGUQC-GJZGRUSLSA-N 2 1 298.377 2.114 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@H]1CC1(F)F ZINC000622016947 349771128 /nfs/dbraw/zinc/77/11/28/349771128.db2.gz WBHYRIMGJZGUQC-GJZGRUSLSA-N 2 1 298.377 2.114 20 0 CEADMP C[NH+](C)CCCC(C)(C)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000622091532 349786420 /nfs/dbraw/zinc/78/64/20/349786420.db2.gz SKDNKDNCPJUGGD-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000234911966 539297397 /nfs/dbraw/zinc/29/73/97/539297397.db2.gz VECYZEFAVKYJFN-DZGCQCFKSA-N 2 1 252.402 2.160 20 0 CEADMP C(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)COCC1CCOCC1 ZINC000166671897 539298759 /nfs/dbraw/zinc/29/87/59/539298759.db2.gz PPCJYZOAONRHJL-IRXDYDNUSA-N 2 1 296.455 2.036 20 0 CEADMP COCC[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000446776996 539298804 /nfs/dbraw/zinc/29/88/04/539298804.db2.gz MTMIKJALTRMJRK-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP COCC[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000446776996 539298805 /nfs/dbraw/zinc/29/88/05/539298805.db2.gz MTMIKJALTRMJRK-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP COCC[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000446776996 539298806 /nfs/dbraw/zinc/29/88/06/539298806.db2.gz MTMIKJALTRMJRK-ZFWWWQNUSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]CC2(C)CCC2)CC1 ZINC000434754330 539299007 /nfs/dbraw/zinc/29/90/07/539299007.db2.gz FPGYJHXXSSFOSG-UHFFFAOYSA-N 2 1 267.461 2.184 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]CC2(C)CCC2)CCCO1 ZINC000434780451 539299356 /nfs/dbraw/zinc/29/93/56/539299356.db2.gz ZWOVSORXBJWSAB-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440112652 539311084 /nfs/dbraw/zinc/31/10/84/539311084.db2.gz WWIKIRLPGKGPON-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449510719 282265064 /nfs/dbraw/zinc/26/50/64/282265064.db2.gz LVWFSQXYIMJSKK-QXSJWSMHSA-N 2 1 294.439 2.325 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449510717 282264688 /nfs/dbraw/zinc/26/46/88/282264688.db2.gz LVWFSQXYIMJSKK-JJXSEGSLSA-N 2 1 294.439 2.325 20 0 CEADMP C[C@H](C[NH3+])CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000336656264 365751866 /nfs/dbraw/zinc/75/18/66/365751866.db2.gz LXVPFIFZZZKHSG-NRSFXHEJSA-N 2 1 287.451 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000336656264 365751868 /nfs/dbraw/zinc/75/18/68/365751868.db2.gz LXVPFIFZZZKHSG-NRSFXHEJSA-N 3 1 287.451 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000336656264 365751874 /nfs/dbraw/zinc/75/18/74/365751874.db2.gz LXVPFIFZZZKHSG-NRSFXHEJSA-N 3 1 287.451 2.081 20 0 CEADMP CO[C@@H](C)C[N@H+](CCCn1cc[nH+]c1C)C(C)C ZINC000336704056 365770362 /nfs/dbraw/zinc/77/03/62/365770362.db2.gz HHHJCWWYPRRRQC-ZDUSSCGKSA-N 2 1 253.390 2.327 20 0 CEADMP CO[C@@H](C)C[N@@H+](CCCn1cc[nH+]c1C)C(C)C ZINC000336704056 365770372 /nfs/dbraw/zinc/77/03/72/365770372.db2.gz HHHJCWWYPRRRQC-ZDUSSCGKSA-N 2 1 253.390 2.327 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000414361257 529756665 /nfs/dbraw/zinc/75/66/65/529756665.db2.gz HUZKALGHTIAHGS-KGLIPLIRSA-N 2 1 262.401 2.001 20 0 CEADMP CO[C@H](C)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336721794 365783947 /nfs/dbraw/zinc/78/39/47/365783947.db2.gz UWAKHIYPATWLLI-KBAYOESNSA-N 2 1 288.435 2.475 20 0 CEADMP CO[C@H](C)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336721794 365783949 /nfs/dbraw/zinc/78/39/49/365783949.db2.gz UWAKHIYPATWLLI-KBAYOESNSA-N 2 1 288.435 2.475 20 0 CEADMP CO[C@H](C)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336721794 365783954 /nfs/dbraw/zinc/78/39/54/365783954.db2.gz UWAKHIYPATWLLI-KBAYOESNSA-N 2 1 288.435 2.475 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCCO2)C[C@H]1C ZINC000336721083 365784083 /nfs/dbraw/zinc/78/40/83/365784083.db2.gz XJGHFZSETUMPIH-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCCO2)C[C@H]1C ZINC000336721083 365784086 /nfs/dbraw/zinc/78/40/86/365784086.db2.gz XJGHFZSETUMPIH-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCCO2)C[C@H]1C ZINC000336721083 365784098 /nfs/dbraw/zinc/78/40/98/365784098.db2.gz XJGHFZSETUMPIH-QLFBSQMISA-N 2 1 254.418 2.360 20 0 CEADMP CC(C)[NH+](CCN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C(C)C ZINC000128385438 365786998 /nfs/dbraw/zinc/78/69/98/365786998.db2.gz NLFYMRSVZZBPFW-HUUCEWRRSA-N 2 1 267.461 2.320 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNc1cc[nH+]c(C)c1Cl ZINC000336730113 365790427 /nfs/dbraw/zinc/79/04/27/365790427.db2.gz XVDCVMUZMVEZDZ-NSHDSACASA-N 2 1 253.777 2.362 20 0 CEADMP C[C@H]1C[C@@H](NCC2([NH+](C)C)CCCC2)C[N@@H+]1C1CC1 ZINC000128597918 365797392 /nfs/dbraw/zinc/79/73/92/365797392.db2.gz SYDIDZSEDMBEJY-UONOGXRCSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]1C[C@@H](NCC2([NH+](C)C)CCCC2)C[N@H+]1C1CC1 ZINC000128597918 365797399 /nfs/dbraw/zinc/79/73/99/365797399.db2.gz SYDIDZSEDMBEJY-UONOGXRCSA-N 2 1 265.445 2.076 20 0 CEADMP CCC[NH+]1CCC(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000128584525 365798168 /nfs/dbraw/zinc/79/81/68/365798168.db2.gz SVLHMQFNXJQYIH-DZGCQCFKSA-N 2 1 265.445 2.076 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000517556761 260191772 /nfs/dbraw/zinc/19/17/72/260191772.db2.gz ORUHIIHJXWRBSD-IPYPFGDCSA-N 2 1 282.453 2.492 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000517556761 260191773 /nfs/dbraw/zinc/19/17/73/260191773.db2.gz ORUHIIHJXWRBSD-IPYPFGDCSA-N 2 1 282.453 2.492 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000128128091 187353126 /nfs/dbraw/zinc/35/31/26/187353126.db2.gz MXUUPZOFCZZWIY-ARFHVFGLSA-N 2 1 278.371 2.076 20 0 CEADMP C[C@H](CNc1cc[nH+]c(N(C)C)n1)[N@H+](C)Cc1ccccc1 ZINC000077219717 343911606 /nfs/dbraw/zinc/91/16/06/343911606.db2.gz QLDISHRWVCZESA-CQSZACIVSA-N 2 1 299.422 2.475 20 0 CEADMP C[C@H](CNc1cc[nH+]c(N(C)C)n1)[N@@H+](C)Cc1ccccc1 ZINC000077219717 343911609 /nfs/dbraw/zinc/91/16/09/343911609.db2.gz QLDISHRWVCZESA-CQSZACIVSA-N 2 1 299.422 2.475 20 0 CEADMP Cc1nc(C)c(C[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000076866808 343900916 /nfs/dbraw/zinc/90/09/16/343900916.db2.gz UQSAPJPNCFZEFM-UHFFFAOYSA-N 2 1 264.398 2.445 20 0 CEADMP Cc1ncsc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043595 344176809 /nfs/dbraw/zinc/17/68/09/344176809.db2.gz BSCFCBXVBSGVJA-OLZOCXBDSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncsc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043595 344176811 /nfs/dbraw/zinc/17/68/11/344176811.db2.gz BSCFCBXVBSGVJA-OLZOCXBDSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncsc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043595 344176813 /nfs/dbraw/zinc/17/68/13/344176813.db2.gz BSCFCBXVBSGVJA-OLZOCXBDSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncsc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043595 344176815 /nfs/dbraw/zinc/17/68/15/344176815.db2.gz BSCFCBXVBSGVJA-OLZOCXBDSA-N 2 1 265.426 2.368 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](O)Cc1ccccc1 ZINC000090653921 344142265 /nfs/dbraw/zinc/14/22/65/344142265.db2.gz NVCNPWJHXHITCZ-HPBDAGMYSA-N 2 1 288.435 2.195 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093209731 344216574 /nfs/dbraw/zinc/21/65/74/344216574.db2.gz YSHKJDCNOYEAJD-QLFBSQMISA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093209731 344216576 /nfs/dbraw/zinc/21/65/76/344216576.db2.gz YSHKJDCNOYEAJD-QLFBSQMISA-N 3 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093209731 344216578 /nfs/dbraw/zinc/21/65/78/344216578.db2.gz YSHKJDCNOYEAJD-QLFBSQMISA-N 3 1 253.434 2.110 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2c(C)nn(CC)c2C)CC1 ZINC000105415895 344256806 /nfs/dbraw/zinc/25/68/06/344256806.db2.gz RSUOCZKBYHSJGR-UHFFFAOYSA-N 2 1 278.444 2.484 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccccc1OC(C)C ZINC000414831309 529985417 /nfs/dbraw/zinc/98/54/17/529985417.db2.gz CWGONVDIOPDJGL-CYBMUJFWSA-N 2 1 250.386 2.419 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(F)c1 ZINC000228622757 344562396 /nfs/dbraw/zinc/56/23/96/344562396.db2.gz YMGNRYVPBUVVRC-GHMZBOCLSA-N 2 1 252.333 2.003 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(F)c1 ZINC000228622757 344562397 /nfs/dbraw/zinc/56/23/97/344562397.db2.gz YMGNRYVPBUVVRC-GHMZBOCLSA-N 2 1 252.333 2.003 20 0 CEADMP COC[C@H](C)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230005184 344569445 /nfs/dbraw/zinc/56/94/45/344569445.db2.gz ZLTVMTWESMZWCH-CQSZACIVSA-N 2 1 250.386 2.120 20 0 CEADMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1F ZINC000051205175 362428338 /nfs/dbraw/zinc/42/83/38/362428338.db2.gz JVWMYQPSMMCULR-UHFFFAOYSA-N 2 1 254.349 2.251 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000051627818 362432588 /nfs/dbraw/zinc/43/25/88/362432588.db2.gz FGMYATMKKUZRAK-HOTGVXAUSA-N 2 1 262.397 2.184 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[NH2+]C2CC2)cc1 ZINC000237632371 344603553 /nfs/dbraw/zinc/60/35/53/344603553.db2.gz PDPWIJKSPRWZEF-LBPRGKRZSA-N 2 1 298.390 2.110 20 0 CEADMP COC[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000053172162 362485358 /nfs/dbraw/zinc/48/53/58/362485358.db2.gz JTSSDSRWRGEVMT-AWEZNQCLSA-N 2 1 250.386 2.133 20 0 CEADMP C[C@@H]1C[C@@H](N2CCC[C@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000307691328 344724338 /nfs/dbraw/zinc/72/43/38/344724338.db2.gz PEIVLPYTZYARDB-HYVNUMGLSA-N 2 1 273.424 2.073 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000314430759 344745181 /nfs/dbraw/zinc/74/51/81/344745181.db2.gz WOZBBMJZFUIIDF-RDJZCZTQSA-N 2 1 288.391 2.034 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1(CC)CC ZINC000351605961 219143824 /nfs/dbraw/zinc/14/38/24/219143824.db2.gz SNMOAIJNTSVONT-BZUAXINKSA-N 2 1 298.471 2.015 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1(CC)CC ZINC000351605961 219143826 /nfs/dbraw/zinc/14/38/26/219143826.db2.gz SNMOAIJNTSVONT-BZUAXINKSA-N 2 1 298.471 2.015 20 0 CEADMP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449759583 282357722 /nfs/dbraw/zinc/35/77/22/282357722.db2.gz YQPUWTYZZZPMSD-KBUPBQIOSA-N 2 1 252.402 2.160 20 0 CEADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000449778274 282364174 /nfs/dbraw/zinc/36/41/74/282364174.db2.gz BGHOUZRHGCQNQF-CABCVRRESA-N 2 1 265.445 2.077 20 0 CEADMP CC1(C)CCC[NH+]1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449778274 282364176 /nfs/dbraw/zinc/36/41/76/282364176.db2.gz BGHOUZRHGCQNQF-CABCVRRESA-N 2 1 265.445 2.077 20 0 CEADMP CC1(C)CCC[NH+]1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449778274 282364178 /nfs/dbraw/zinc/36/41/78/282364178.db2.gz BGHOUZRHGCQNQF-CABCVRRESA-N 2 1 265.445 2.077 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc2ccccc2o1 ZINC000401784415 344869922 /nfs/dbraw/zinc/86/99/22/344869922.db2.gz YPYFLEZQDXOUCY-UHFFFAOYSA-N 2 1 255.321 2.499 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])oc1C ZINC000404365389 344879976 /nfs/dbraw/zinc/87/99/76/344879976.db2.gz PHBSWCZNFRKJIX-NHYWBVRUSA-N 2 1 294.395 2.324 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])oc1C ZINC000404365389 344879980 /nfs/dbraw/zinc/87/99/80/344879980.db2.gz PHBSWCZNFRKJIX-NHYWBVRUSA-N 2 1 294.395 2.324 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000584687709 344976290 /nfs/dbraw/zinc/97/62/90/344976290.db2.gz JXCWVMPIEXKAEJ-ZDUSSCGKSA-N 2 1 272.396 2.383 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000351628359 219153214 /nfs/dbraw/zinc/15/32/14/219153214.db2.gz JOFDWYFKTPDXNV-GDBMZVCRSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000351628359 219153216 /nfs/dbraw/zinc/15/32/16/219153216.db2.gz JOFDWYFKTPDXNV-GDBMZVCRSA-N 2 1 279.428 2.455 20 0 CEADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1COc2ccccc2O1 ZINC000591084047 345218784 /nfs/dbraw/zinc/21/87/84/345218784.db2.gz RVXVVUKUHBJGDQ-HUUCEWRRSA-N 2 1 290.407 2.100 20 0 CEADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1COc2ccccc2O1 ZINC000591084047 345218787 /nfs/dbraw/zinc/21/87/87/345218787.db2.gz RVXVVUKUHBJGDQ-HUUCEWRRSA-N 2 1 290.407 2.100 20 0 CEADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@@H]1COc2ccccc2O1 ZINC000591084047 345218788 /nfs/dbraw/zinc/21/87/88/345218788.db2.gz RVXVVUKUHBJGDQ-HUUCEWRRSA-N 2 1 290.407 2.100 20 0 CEADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@@H]1COc2ccccc2O1 ZINC000591084047 345218791 /nfs/dbraw/zinc/21/87/91/345218791.db2.gz RVXVVUKUHBJGDQ-HUUCEWRRSA-N 2 1 290.407 2.100 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1SC ZINC000592377483 345347935 /nfs/dbraw/zinc/34/79/35/345347935.db2.gz YLAAKKNDCUGLHG-AHDPXTMNSA-N 2 1 284.469 2.112 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592425572 345351669 /nfs/dbraw/zinc/35/16/69/345351669.db2.gz JJEYLYLTINCGHA-KGLIPLIRSA-N 2 1 282.428 2.040 20 0 CEADMP Cc1ccc2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2n1 ZINC000097862669 232187178 /nfs/dbraw/zinc/18/71/78/232187178.db2.gz IUFAUQRORINKRD-IYBDPMFKSA-N 2 1 267.376 2.194 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000593408953 345478729 /nfs/dbraw/zinc/47/87/29/345478729.db2.gz SSDWKQBAABHGID-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCSCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593729438 345528797 /nfs/dbraw/zinc/52/87/97/345528797.db2.gz DYZDLERHEVLMIW-MGPQQGTHSA-N 2 1 272.458 2.100 20 0 CEADMP CC(C)([NH3+])C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000058031109 362606180 /nfs/dbraw/zinc/60/61/80/362606180.db2.gz OIARWAVZCMOHRD-UHFFFAOYSA-N 2 1 272.396 2.480 20 0 CEADMP CCSC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000594986882 345722004 /nfs/dbraw/zinc/72/20/04/345722004.db2.gz LJRIGQQIWPYPFX-QWHCGFSZSA-N 2 1 254.443 2.489 20 0 CEADMP C[C@@H](CSCCF)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000595053096 345735329 /nfs/dbraw/zinc/73/53/29/345735329.db2.gz ZQCAVFBZIXQFTF-KBPBESRZSA-N 2 1 292.464 2.168 20 0 CEADMP C[C@@H](CSCCF)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000595053096 345735332 /nfs/dbraw/zinc/73/53/32/345735332.db2.gz ZQCAVFBZIXQFTF-KBPBESRZSA-N 2 1 292.464 2.168 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)[C@H]2CCC[C@@H]21 ZINC000595061971 345737149 /nfs/dbraw/zinc/73/71/49/345737149.db2.gz PXDLBNJOYQNWFW-JQPKUHHSSA-N 2 1 298.496 2.139 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)[C@H]2CCC[C@@H]21 ZINC000595061971 345737154 /nfs/dbraw/zinc/73/71/54/345737154.db2.gz PXDLBNJOYQNWFW-JQPKUHHSSA-N 2 1 298.496 2.139 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC3CCC3)C2)CC1 ZINC000595339777 345764631 /nfs/dbraw/zinc/76/46/31/345764631.db2.gz RBCZKPBPPLLFKO-KRWDZBQOSA-N 2 1 279.472 2.277 20 0 CEADMP CCc1cnc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000247127104 539491407 /nfs/dbraw/zinc/49/14/07/539491407.db2.gz QARJPBMFUDPIKY-RYUDHWBXSA-N 2 1 267.442 2.320 20 0 CEADMP CCC[N@H+]1CC[C@H](CNCc2cc(C)c(C(=O)OC)o2)C1 ZINC000597048390 346120076 /nfs/dbraw/zinc/12/00/76/346120076.db2.gz DUCGOZLBBSBJKY-CYBMUJFWSA-N 2 1 294.395 2.196 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000597240780 346159424 /nfs/dbraw/zinc/15/94/24/346159424.db2.gz RAGCQZYZZCJSOH-RDJZCZTQSA-N 2 1 294.439 2.325 20 0 CEADMP COC(=O)CC1CCC([NH2+]CCC[N@@H+](C)C(C)C)CC1 ZINC000599019466 346446803 /nfs/dbraw/zinc/44/68/03/346446803.db2.gz LUJZTFAHVHHOFQ-UHFFFAOYSA-N 2 1 284.444 2.428 20 0 CEADMP COC(=O)CC1CCC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000599070611 346455648 /nfs/dbraw/zinc/45/56/48/346455648.db2.gz LZRUIEGXAJMMMX-HWOWSKLDSA-N 2 1 296.455 2.430 20 0 CEADMP COCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000336796792 365821333 /nfs/dbraw/zinc/82/13/33/365821333.db2.gz VWSULBNZDWQRPZ-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@@]1(C)COCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000336798196 365822959 /nfs/dbraw/zinc/82/29/59/365822959.db2.gz DBNXQHVGJZTQEU-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP CC[C@@]1(C)COCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000336798196 365822960 /nfs/dbraw/zinc/82/29/60/365822960.db2.gz DBNXQHVGJZTQEU-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP CCOC1CC(C[N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000351751418 219195424 /nfs/dbraw/zinc/19/54/24/219195424.db2.gz BARVCXRKRAOWGD-UHFFFAOYSA-N 2 1 265.401 2.329 20 0 CEADMP CCOC1CC(C[N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000351751418 219195425 /nfs/dbraw/zinc/19/54/25/219195425.db2.gz BARVCXRKRAOWGD-UHFFFAOYSA-N 2 1 265.401 2.329 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC(F)(F)F)C[C@H]1C ZINC000336799850 365829437 /nfs/dbraw/zinc/82/94/37/365829437.db2.gz KFKKYBJRHKHRHD-NEPJUHHUSA-N 2 1 282.350 2.370 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC(F)(F)F)C[C@H]1C ZINC000336799850 365829443 /nfs/dbraw/zinc/82/94/43/365829443.db2.gz KFKKYBJRHKHRHD-NEPJUHHUSA-N 2 1 282.350 2.370 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC(F)(F)F)C[C@H]1C ZINC000336799850 365829447 /nfs/dbraw/zinc/82/94/47/365829447.db2.gz KFKKYBJRHKHRHD-NEPJUHHUSA-N 2 1 282.350 2.370 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000602685423 347145057 /nfs/dbraw/zinc/14/50/57/347145057.db2.gz OWJWXQBWBNBRJJ-BARDWOONSA-N 2 1 282.428 2.181 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602685423 347145060 /nfs/dbraw/zinc/14/50/60/347145060.db2.gz OWJWXQBWBNBRJJ-BARDWOONSA-N 2 1 282.428 2.181 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](Cc2nccc(C)n2)CC1 ZINC000336822682 365873755 /nfs/dbraw/zinc/87/37/55/365873755.db2.gz MPXBVTUNSKMOCH-UHFFFAOYSA-N 2 1 276.428 2.339 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000351850161 219225380 /nfs/dbraw/zinc/22/53/80/219225380.db2.gz HZPSSRGHSAOIPS-VXGBXAGGSA-N 2 1 295.814 2.338 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000351847706 219224604 /nfs/dbraw/zinc/22/46/04/219224604.db2.gz AVMJEHMVWNSNGN-UONOGXRCSA-N 2 1 254.418 2.395 20 0 CEADMP COC(=O)c1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C)o1 ZINC000610001568 347657453 /nfs/dbraw/zinc/65/74/53/347657453.db2.gz RQGNHHGMGKCXHS-UHFFFAOYSA-N 2 1 294.395 2.148 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000351853586 219226765 /nfs/dbraw/zinc/22/67/65/219226765.db2.gz PFHZGWVINSYKTR-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000351853586 219226768 /nfs/dbraw/zinc/22/67/68/219226768.db2.gz PFHZGWVINSYKTR-KKUMJFAQSA-N 2 1 289.423 2.300 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000389303647 539573606 /nfs/dbraw/zinc/57/36/06/539573606.db2.gz CZGYYYRIUSIFTO-VBNZEHGJSA-N 2 1 259.397 2.205 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000086777894 179329142 /nfs/dbraw/zinc/32/91/42/179329142.db2.gz QAORMFPKRRNEFO-SECBINFHSA-N 2 1 259.806 2.357 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000086777894 179329143 /nfs/dbraw/zinc/32/91/43/179329143.db2.gz QAORMFPKRRNEFO-SECBINFHSA-N 2 1 259.806 2.357 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCc2ccc(C)nc2)C1 ZINC000339407953 215152379 /nfs/dbraw/zinc/15/23/79/215152379.db2.gz RTWIFSFPFKGIQT-MRXNPFEDSA-N 2 1 261.413 2.254 20 0 CEADMP C[N@@H+](CCCc1ccc2c(c1)CCO2)C1CC[NH2+]CC1 ZINC000339408658 215152389 /nfs/dbraw/zinc/15/23/89/215152389.db2.gz UNKIELIIEABUDV-UHFFFAOYSA-N 2 1 274.408 2.238 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCc1ccc2c(c1)CCO2 ZINC000339411202 215154526 /nfs/dbraw/zinc/15/45/26/215154526.db2.gz VEQAGTQXLBGCAF-ZFWWWQNUSA-N 2 1 274.408 2.223 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)CC3CCCC3)C2)C1 ZINC000339441873 215174724 /nfs/dbraw/zinc/17/47/24/215174724.db2.gz RYELPARXKLLVOK-IAGOWNOFSA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)CC3CCCC3)C2)C1 ZINC000339441873 215174725 /nfs/dbraw/zinc/17/47/25/215174725.db2.gz RYELPARXKLLVOK-IAGOWNOFSA-N 2 1 280.456 2.345 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)CC3CCCC3)C2)C1 ZINC000339441873 215174727 /nfs/dbraw/zinc/17/47/27/215174727.db2.gz RYELPARXKLLVOK-IAGOWNOFSA-N 2 1 280.456 2.345 20 0 CEADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000615302593 348310436 /nfs/dbraw/zinc/31/04/36/348310436.db2.gz DJFPDZPGVIWOIG-ZBFHGGJFSA-N 2 1 295.471 2.192 20 0 CEADMP CC1CC[NH+](CCN[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623357294 349997851 /nfs/dbraw/zinc/99/78/51/349997851.db2.gz HWKVKKVIYHFESA-HNNXBMFYSA-N 2 1 267.461 2.181 20 0 CEADMP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339067520 539659117 /nfs/dbraw/zinc/65/91/17/539659117.db2.gz LFJSAVCAPGUXGU-WBVHZDCISA-N 2 1 273.424 2.469 20 0 CEADMP CCc1nc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000339069183 539659798 /nfs/dbraw/zinc/65/97/98/539659798.db2.gz RVXOOKBBOHONIV-JSGCOSHPSA-N 2 1 279.453 2.464 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccncc3F)C2)CC1 ZINC000336216014 539662765 /nfs/dbraw/zinc/66/27/65/539662765.db2.gz VBXXPYGTFJPBNX-CQSZACIVSA-N 2 1 277.387 2.384 20 0 CEADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCc2c[nH+]cn2C)C1 ZINC000459362960 539689210 /nfs/dbraw/zinc/68/92/10/539689210.db2.gz HTYXDEYUBBBCLL-INMHGKMJSA-N 2 1 290.455 2.300 20 0 CEADMP Cc1nccn1CC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000357792841 233146436 /nfs/dbraw/zinc/14/64/36/233146436.db2.gz BQQBWRZCWGUSLV-MRXNPFEDSA-N 2 1 295.390 2.488 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000357792841 233146442 /nfs/dbraw/zinc/14/64/42/233146442.db2.gz BQQBWRZCWGUSLV-MRXNPFEDSA-N 2 1 295.390 2.488 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(CC)(CC)C(=O)OC)[C@@H](C)C1 ZINC000129363429 187426367 /nfs/dbraw/zinc/42/63/67/187426367.db2.gz ONPNTBNXUIBVFX-UONOGXRCSA-N 2 1 284.444 2.286 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](C2CCCCC2)C1 ZINC000068527476 362942819 /nfs/dbraw/zinc/94/28/19/362942819.db2.gz OUCHVKFIECBLFR-HNNXBMFYSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000068527476 362942825 /nfs/dbraw/zinc/94/28/25/362942825.db2.gz OUCHVKFIECBLFR-HNNXBMFYSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000068527476 362942831 /nfs/dbraw/zinc/94/28/31/362942831.db2.gz OUCHVKFIECBLFR-HNNXBMFYSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000619894986 349245131 /nfs/dbraw/zinc/24/51/31/349245131.db2.gz RFAABYVHOJQRFE-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)CC1(C)C ZINC000623373562 350003043 /nfs/dbraw/zinc/00/30/43/350003043.db2.gz DDRCFVBZVHJHNE-CQSZACIVSA-N 2 1 280.387 2.280 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)CC1(C)C ZINC000623373562 350003046 /nfs/dbraw/zinc/00/30/46/350003046.db2.gz DDRCFVBZVHJHNE-CQSZACIVSA-N 2 1 280.387 2.280 20 0 CEADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623420582 350015995 /nfs/dbraw/zinc/01/59/95/350015995.db2.gz HSJZQDCPVMMRKG-ILXRZTDVSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3n[nH]cc32)CC[N@H+]1C ZINC000623430866 350018510 /nfs/dbraw/zinc/01/85/10/350018510.db2.gz JNNNMQQOSLFOHT-YPMHNXCESA-N 2 1 258.369 2.135 20 0 CEADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623438326 350020363 /nfs/dbraw/zinc/02/03/63/350020363.db2.gz VUOFKGSKPYGIKT-AWEZNQCLSA-N 2 1 255.450 2.181 20 0 CEADMP CCC[NH+](CC)CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623438326 350020364 /nfs/dbraw/zinc/02/03/64/350020364.db2.gz VUOFKGSKPYGIKT-AWEZNQCLSA-N 2 1 255.450 2.181 20 0 CEADMP CCC[NH+](CC)CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623438326 350020366 /nfs/dbraw/zinc/02/03/66/350020366.db2.gz VUOFKGSKPYGIKT-AWEZNQCLSA-N 2 1 255.450 2.181 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCNc2ccccn2)CC1(C)C ZINC000623441709 350021275 /nfs/dbraw/zinc/02/12/75/350021275.db2.gz FVMKUWHXNALOGV-CQSZACIVSA-N 2 1 276.428 2.346 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CCOCC2)CC1(C)C ZINC000623443250 350021889 /nfs/dbraw/zinc/02/18/89/350021889.db2.gz WJPWILCAADKJEN-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)n1nccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656975 350075824 /nfs/dbraw/zinc/07/58/24/350075824.db2.gz HCOPYMFONRPMHN-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP CC(C)n1nccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656975 350075827 /nfs/dbraw/zinc/07/58/27/350075827.db2.gz HCOPYMFONRPMHN-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623657121 350076003 /nfs/dbraw/zinc/07/60/03/350076003.db2.gz KCOROSNKMTYNIP-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)CC1(C)C ZINC000623525445 350040960 /nfs/dbraw/zinc/04/09/60/350040960.db2.gz MEVMUDZZJXDELS-BFHYXJOUSA-N 2 1 254.418 2.142 20 0 CEADMP CO[C@@](C)(C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623528736 350041372 /nfs/dbraw/zinc/04/13/72/350041372.db2.gz AHBVXKLUGDQPRS-HIFRSBDPSA-N 2 1 254.418 2.264 20 0 CEADMP C[NH+]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1(C)C ZINC000623547235 350047743 /nfs/dbraw/zinc/04/77/43/350047743.db2.gz JKLBSKMCIBJTBU-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+]1CCC[C@@H](CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623547235 350047746 /nfs/dbraw/zinc/04/77/46/350047746.db2.gz JKLBSKMCIBJTBU-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+]1CCC[C@@H](CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623547235 350047749 /nfs/dbraw/zinc/04/77/49/350047749.db2.gz JKLBSKMCIBJTBU-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP CN1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1(C)C ZINC000623547235 350047752 /nfs/dbraw/zinc/04/77/52/350047752.db2.gz JKLBSKMCIBJTBU-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP CN1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC000623547235 350047755 /nfs/dbraw/zinc/04/77/55/350047755.db2.gz JKLBSKMCIBJTBU-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H]2CCC[NH+]3CCCC[C@H]23)CC1(C)C ZINC000623561223 350051199 /nfs/dbraw/zinc/05/11/99/350051199.db2.gz GBXMSMFYAIDHPM-HRCADAONSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1(C)C ZINC000623561223 350051202 /nfs/dbraw/zinc/05/12/02/350051202.db2.gz GBXMSMFYAIDHPM-HRCADAONSA-N 3 1 279.472 2.466 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1(C)C ZINC000623561223 350051205 /nfs/dbraw/zinc/05/12/05/350051205.db2.gz GBXMSMFYAIDHPM-HRCADAONSA-N 3 1 279.472 2.466 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN3CCCC[C@H]23)CC1(C)C ZINC000623561223 350051209 /nfs/dbraw/zinc/05/12/09/350051209.db2.gz GBXMSMFYAIDHPM-HRCADAONSA-N 3 1 279.472 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN3CCCC[C@H]23)CC1(C)C ZINC000623561223 350051211 /nfs/dbraw/zinc/05/12/11/350051211.db2.gz GBXMSMFYAIDHPM-HRCADAONSA-N 3 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)CC[N@H+]1C ZINC000090721841 180032351 /nfs/dbraw/zinc/03/23/51/180032351.db2.gz IWNFEEMBHLNRAC-GDBMZVCRSA-N 2 1 284.407 2.445 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000090846398 180044664 /nfs/dbraw/zinc/04/46/64/180044664.db2.gz VKRONKAMWMEBPV-WOSRLPQWSA-N 2 1 292.471 2.363 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000090846398 180044666 /nfs/dbraw/zinc/04/46/66/180044666.db2.gz VKRONKAMWMEBPV-WOSRLPQWSA-N 2 1 292.471 2.363 20 0 CEADMP COCC[N@H+](C)CCCNc1[nH+]ccc2ccccc21 ZINC000623854492 350126741 /nfs/dbraw/zinc/12/67/41/350126741.db2.gz AFKMZPABKMWJBH-UHFFFAOYSA-N 2 1 273.380 2.037 20 0 CEADMP COCC[N@@H+](C)CCCNc1[nH+]ccc2ccccc21 ZINC000623854492 350126744 /nfs/dbraw/zinc/12/67/44/350126744.db2.gz AFKMZPABKMWJBH-UHFFFAOYSA-N 2 1 273.380 2.037 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000271280753 191047148 /nfs/dbraw/zinc/04/71/48/191047148.db2.gz NYKPYJYRHULIPP-IBGZPJMESA-N 2 1 299.462 2.289 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000624120793 350198956 /nfs/dbraw/zinc/19/89/56/350198956.db2.gz HAQQFSZGBQSAMV-GJZGRUSLSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn[nH]c2)C1 ZINC000624214299 350230670 /nfs/dbraw/zinc/23/06/70/350230670.db2.gz YQTFBTFUEQGRKB-ZDUSSCGKSA-N 2 1 250.390 2.011 20 0 CEADMP c1n[nH]cc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000624218473 350232878 /nfs/dbraw/zinc/23/28/78/350232878.db2.gz JTICUSXLZHNNNI-UHFFFAOYSA-N 2 1 262.401 2.154 20 0 CEADMP COc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)cc(OC)c1 ZINC000091844800 180269573 /nfs/dbraw/zinc/26/95/73/180269573.db2.gz PBBDKZZLZFXSKC-UHFFFAOYSA-N 2 1 278.396 2.406 20 0 CEADMP C[N@H+](Cc1ccc(-n2cncn2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253853 180352969 /nfs/dbraw/zinc/35/29/69/180352969.db2.gz JHZLVCZLMXDZII-INIZCTEOSA-N 2 1 299.422 2.041 20 0 CEADMP C[NH+](Cc1ccc(-n2cncn2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253853 180352971 /nfs/dbraw/zinc/35/29/71/180352971.db2.gz JHZLVCZLMXDZII-INIZCTEOSA-N 2 1 299.422 2.041 20 0 CEADMP C[NH+](Cc1ccc(-n2cncn2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253853 180352974 /nfs/dbraw/zinc/35/29/74/180352974.db2.gz JHZLVCZLMXDZII-INIZCTEOSA-N 2 1 299.422 2.041 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccccn2)CC1 ZINC000105918356 186089265 /nfs/dbraw/zinc/08/92/65/186089265.db2.gz PITLMNTWGGZRHZ-UHFFFAOYSA-N 2 1 270.380 2.270 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000110442794 186296619 /nfs/dbraw/zinc/29/66/19/186296619.db2.gz HSAFQTMVZHERGL-CYBMUJFWSA-N 2 1 266.360 2.136 20 0 CEADMP C[NH+](C)C1(C[NH2+]C[C@H]2CCCOC2)CCCCC1 ZINC000111317817 186395949 /nfs/dbraw/zinc/39/59/49/186395949.db2.gz WHUAVYBICOMNSA-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP Cc1nc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)[nH]c1C ZINC000628280239 351038444 /nfs/dbraw/zinc/03/84/44/351038444.db2.gz XBAOQSUTUWGTLM-OAHLLOKOSA-N 2 1 276.428 2.190 20 0 CEADMP Cc1nc(C)c(C[NH2+]Cc2ccc3c[nH+]cn3c2)o1 ZINC000628308339 351055120 /nfs/dbraw/zinc/05/51/20/351055120.db2.gz JVUKNSVESGSNHJ-UHFFFAOYSA-N 2 1 256.309 2.229 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000628965434 351229120 /nfs/dbraw/zinc/22/91/20/351229120.db2.gz SLAFVPMIOJHEQT-ZFWWWQNUSA-N 2 1 295.471 2.286 20 0 CEADMP CCC[C@H](C)CCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000629535104 351398036 /nfs/dbraw/zinc/39/80/36/351398036.db2.gz DNSHADYKKIEBMV-JKSUJKDBSA-N 2 1 267.461 2.182 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000629537209 351399942 /nfs/dbraw/zinc/39/99/42/351399942.db2.gz JZBKAUISWIISBZ-LUKYLMHMSA-N 2 1 296.455 2.020 20 0 CEADMP [NH3+]C1(C[NH2+]C/C=C\c2ccc(F)cc2F)CCOCC1 ZINC000629386916 351345104 /nfs/dbraw/zinc/34/51/04/351345104.db2.gz ABLBEUBKWYIOBY-UPHRSURJSA-N 2 1 282.334 2.076 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000629390750 351347837 /nfs/dbraw/zinc/34/78/37/351347837.db2.gz WVMXKIZUTBDBBS-DLBZAZTESA-N 2 1 273.424 2.386 20 0 CEADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000629408516 351354675 /nfs/dbraw/zinc/35/46/75/351354675.db2.gz WGRZSGQINWSDDI-CYGHRXIMSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)C[NH2+]1 ZINC000629543050 351403933 /nfs/dbraw/zinc/40/39/33/351403933.db2.gz RPPPLUZTRNYKCC-MGPQQGTHSA-N 2 1 252.402 2.066 20 0 CEADMP COC1(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)CCCC1 ZINC000629650333 351448331 /nfs/dbraw/zinc/44/83/31/351448331.db2.gz RNUQWYKEVDRLRF-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP CC1(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629652916 351451420 /nfs/dbraw/zinc/45/14/20/351451420.db2.gz CKMKMILAJIWVKH-NXEZZACHSA-N 2 1 250.308 2.246 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCSC2)CC[C@H]1C(F)(F)F ZINC000629654656 351452077 /nfs/dbraw/zinc/45/20/77/351452077.db2.gz OYQNLYQKYNTNAN-GMTAPVOTSA-N 2 1 282.375 2.199 20 0 CEADMP Cc1cncc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000629547741 351407244 /nfs/dbraw/zinc/40/72/44/351407244.db2.gz LNXSCGXHYHLHLJ-BRWVUGGUSA-N 2 1 289.423 2.251 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)CC1CCC(C)(C)CC1 ZINC000629571607 351418969 /nfs/dbraw/zinc/41/89/69/351418969.db2.gz YJXBCVGUSBKDDD-UHFFFAOYSA-N 2 1 256.434 2.371 20 0 CEADMP C[N@@H+](CCOCC[NH3+])[C@H]1CCc2c1cccc2Cl ZINC000629581046 351421764 /nfs/dbraw/zinc/42/17/64/351421764.db2.gz KORPFFHJHTXDHS-AWEZNQCLSA-N 2 1 268.788 2.234 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000070169731 363042320 /nfs/dbraw/zinc/04/23/20/363042320.db2.gz MQKZIPKTFJPLNR-ZDUSSCGKSA-N 2 1 276.380 2.019 20 0 CEADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170947 363044028 /nfs/dbraw/zinc/04/40/28/363044028.db2.gz OVEJMCZTAKXLRQ-INIZCTEOSA-N 2 1 297.487 2.188 20 0 CEADMP Cc1cc(N)[nH+]cc1-c1cccc(OCC[NH+](C)C)c1 ZINC000629701714 351478617 /nfs/dbraw/zinc/47/86/17/351478617.db2.gz YTKOXIGKYNSNBY-UHFFFAOYSA-N 2 1 271.364 2.410 20 0 CEADMP CC[C@@H](c1ccc(C2=CC[NH2+]CC2)cc1)[NH+]1CCNCC1 ZINC000629723828 351488158 /nfs/dbraw/zinc/48/81/58/351488158.db2.gz RHWOZPZQFDBGML-SFHVURJKSA-N 2 1 285.435 2.420 20 0 CEADMP COc1ccc(OCC[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000070174749 363048986 /nfs/dbraw/zinc/04/89/86/363048986.db2.gz GOAISKBDONRDSE-UONOGXRCSA-N 2 1 278.396 2.133 20 0 CEADMP CCCCc1noc(C[NH+]2CCC(CC[NH2+]C)CC2)n1 ZINC000070189943 363052094 /nfs/dbraw/zinc/05/20/94/363052094.db2.gz DUDKNDHKYVQHIQ-UHFFFAOYSA-N 2 1 280.416 2.234 20 0 CEADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](CC(C)C)CC2)[C@H](C)C1 ZINC000131182225 366027692 /nfs/dbraw/zinc/02/76/92/366027692.db2.gz LJTDWWFIWCKKSU-NVXWUHKLSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)CC(C)C ZINC000629970072 351561473 /nfs/dbraw/zinc/56/14/73/351561473.db2.gz SOERJEWHBAPJQJ-MRXNPFEDSA-N 2 1 297.487 2.343 20 0 CEADMP FC(F)(F)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360973872 303113375 /nfs/dbraw/zinc/11/33/75/303113375.db2.gz WCQPHUITXNLZDB-IJLUTSLNSA-N 2 1 262.319 2.355 20 0 CEADMP FC(F)(F)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360973872 303113377 /nfs/dbraw/zinc/11/33/77/303113377.db2.gz WCQPHUITXNLZDB-IJLUTSLNSA-N 2 1 262.319 2.355 20 0 CEADMP FC(F)(F)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360973872 303113379 /nfs/dbraw/zinc/11/33/79/303113379.db2.gz WCQPHUITXNLZDB-IJLUTSLNSA-N 2 1 262.319 2.355 20 0 CEADMP FC(F)(F)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360973872 303113380 /nfs/dbraw/zinc/11/33/80/303113380.db2.gz WCQPHUITXNLZDB-IJLUTSLNSA-N 2 1 262.319 2.355 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000122686835 187046050 /nfs/dbraw/zinc/04/60/50/187046050.db2.gz YGFIZDNDOPHSKC-RDJZCZTQSA-N 3 1 281.488 2.428 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)CC1 ZINC000122686835 187046051 /nfs/dbraw/zinc/04/60/51/187046051.db2.gz YGFIZDNDOPHSKC-RDJZCZTQSA-N 2 1 281.488 2.428 20 0 CEADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1OCCO1 ZINC000124134336 187123955 /nfs/dbraw/zinc/12/39/55/187123955.db2.gz PSTJEVWMHHVGGU-MRXNPFEDSA-N 2 1 296.455 2.337 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccccc2)CC[N@@H+]1C ZINC000123363561 187087074 /nfs/dbraw/zinc/08/70/74/187087074.db2.gz OOCQOSAJLNVWCA-CABCVRRESA-N 2 1 262.397 2.480 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccccc2)CC[N@H+]1C ZINC000123363561 187087075 /nfs/dbraw/zinc/08/70/75/187087075.db2.gz OOCQOSAJLNVWCA-CABCVRRESA-N 2 1 262.397 2.480 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccccc2)CC[NH+]1C ZINC000123363561 187087076 /nfs/dbraw/zinc/08/70/76/187087076.db2.gz OOCQOSAJLNVWCA-CABCVRRESA-N 2 1 262.397 2.480 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2)CC[NH+]1C ZINC000123363561 187087077 /nfs/dbraw/zinc/08/70/77/187087077.db2.gz OOCQOSAJLNVWCA-CABCVRRESA-N 2 1 262.397 2.480 20 0 CEADMP Cn1nc2c(c1C[NH2+]CCC[NH+]1CCCCC1)CCCC2 ZINC000631035309 351930780 /nfs/dbraw/zinc/93/07/80/351930780.db2.gz FEQDGPCCLMGMTD-UHFFFAOYSA-N 2 1 290.455 2.265 20 0 CEADMP COc1cncc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1C ZINC000631043865 351936127 /nfs/dbraw/zinc/93/61/27/351936127.db2.gz DGYZCLRPYXRBFJ-CYBMUJFWSA-N 2 1 277.412 2.220 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000631056155 351941195 /nfs/dbraw/zinc/94/11/95/351941195.db2.gz KFDSMFRSHMLKOJ-INIZCTEOSA-N 2 1 289.423 2.465 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000631056155 351941197 /nfs/dbraw/zinc/94/11/97/351941197.db2.gz KFDSMFRSHMLKOJ-INIZCTEOSA-N 2 1 289.423 2.465 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631107856 351966314 /nfs/dbraw/zinc/96/63/14/351966314.db2.gz HXHUDVCQZAUTRW-UHFFFAOYSA-N 2 1 274.412 2.035 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)C2CCCC2)CC[N@H+]1C ZINC000631269352 352047195 /nfs/dbraw/zinc/04/71/95/352047195.db2.gz PJNGVBVLRYSMAG-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP C[NH+]1CCC([NH2+]CC2([C@H]3CCCCO3)CCC2)CC1 ZINC000631246588 352036418 /nfs/dbraw/zinc/03/64/18/352036418.db2.gz XJPNFWOCZMKQIG-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2)C1 ZINC000072859799 363172350 /nfs/dbraw/zinc/17/23/50/363172350.db2.gz ILGZDVNYGQBGMA-OAHLLOKOSA-N 2 1 289.423 2.289 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000072859799 363172357 /nfs/dbraw/zinc/17/23/57/363172357.db2.gz ILGZDVNYGQBGMA-OAHLLOKOSA-N 2 1 289.423 2.289 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000072859799 363172361 /nfs/dbraw/zinc/17/23/61/363172361.db2.gz ILGZDVNYGQBGMA-OAHLLOKOSA-N 2 1 289.423 2.289 20 0 CEADMP CC(C)Oc1ncccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000093215457 539845276 /nfs/dbraw/zinc/84/52/76/539845276.db2.gz MSYCSDTZYPBQID-KGLIPLIRSA-N 2 1 263.385 2.228 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cc(N)ccc32)CC1 ZINC000094088032 539867660 /nfs/dbraw/zinc/86/76/60/539867660.db2.gz MGXFBQPGQMBWAF-INIZCTEOSA-N 2 1 259.397 2.330 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000252697880 539894149 /nfs/dbraw/zinc/89/41/49/539894149.db2.gz JYRARIUKTPZUQK-LSDHHAIUSA-N 2 1 274.408 2.484 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152433287 188018819 /nfs/dbraw/zinc/01/88/19/188018819.db2.gz WOPBYIGNRAALAA-IRXDYDNUSA-N 2 1 288.435 2.318 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000250833809 539969632 /nfs/dbraw/zinc/96/96/32/539969632.db2.gz GYPFZSNREGGYKG-TZMCWYRMSA-N 2 1 265.426 2.416 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000250833809 539969636 /nfs/dbraw/zinc/96/96/36/539969636.db2.gz GYPFZSNREGGYKG-TZMCWYRMSA-N 2 1 265.426 2.416 20 0 CEADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccco2)CC1 ZINC000154528583 188147551 /nfs/dbraw/zinc/14/75/51/188147551.db2.gz AJNQLNMJFYZVOB-HNNXBMFYSA-N 2 1 279.428 2.348 20 0 CEADMP Oc1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000156058270 188240955 /nfs/dbraw/zinc/24/09/55/188240955.db2.gz DOPDTAFOXIATRT-LSDHHAIUSA-N 2 1 260.381 2.151 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2)CC[C@H]1[NH3+] ZINC000251822678 539992920 /nfs/dbraw/zinc/99/29/20/539992920.db2.gz PJGAHURPVGQVNG-CZUORRHYSA-N 2 1 278.396 2.133 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000157918911 188346904 /nfs/dbraw/zinc/34/69/04/188346904.db2.gz CHELUMFTVVCJSY-WOSRLPQWSA-N 2 1 278.371 2.076 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000157918911 188346905 /nfs/dbraw/zinc/34/69/05/188346905.db2.gz CHELUMFTVVCJSY-WOSRLPQWSA-N 2 1 278.371 2.076 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000494893346 291003096 /nfs/dbraw/zinc/00/30/96/291003096.db2.gz WFSIHOCRRQUOJR-GJZGRUSLSA-N 2 1 295.471 2.288 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000252898166 540009535 /nfs/dbraw/zinc/00/95/35/540009535.db2.gz FKIQYYOMFRRMSG-HZPDHXFCSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000252898166 540009541 /nfs/dbraw/zinc/00/95/41/540009541.db2.gz FKIQYYOMFRRMSG-HZPDHXFCSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000156594640 540009588 /nfs/dbraw/zinc/00/95/88/540009588.db2.gz BHWISCSMKRJHDC-HOCLYGCPSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000156594640 540009593 /nfs/dbraw/zinc/00/95/93/540009593.db2.gz BHWISCSMKRJHDC-HOCLYGCPSA-N 2 1 259.397 2.354 20 0 CEADMP C[C@H]1[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC000495000033 291011102 /nfs/dbraw/zinc/01/11/02/291011102.db2.gz SZELDDQXKGVTIE-GBJTYRQASA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]1[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC000495000033 291011105 /nfs/dbraw/zinc/01/11/05/291011105.db2.gz SZELDDQXKGVTIE-GBJTYRQASA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C[C@@H]1C[NH3+] ZINC000253235751 540016818 /nfs/dbraw/zinc/01/68/18/540016818.db2.gz MWHLLPDPIFZZCJ-KFWWJZLASA-N 2 1 274.408 2.469 20 0 CEADMP CC(C)[C@H](CO)[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000451601708 283047164 /nfs/dbraw/zinc/04/71/64/283047164.db2.gz UXRQXILRSLTZFH-PMPSAXMXSA-N 2 1 270.461 2.349 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C ZINC000451589847 283043465 /nfs/dbraw/zinc/04/34/65/283043465.db2.gz AZZWVJFVQZMKQT-LSDHHAIUSA-N 2 1 267.417 2.070 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCSC[C@H]1C1CC1 ZINC000451653855 283065953 /nfs/dbraw/zinc/06/59/53/283065953.db2.gz NRLFUKDWYRHSCI-KGLIPLIRSA-N 2 1 254.443 2.298 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451653855 283065957 /nfs/dbraw/zinc/06/59/57/283065957.db2.gz NRLFUKDWYRHSCI-KGLIPLIRSA-N 2 1 254.443 2.298 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCSC[C@H]1C1CC1 ZINC000451653855 283065959 /nfs/dbraw/zinc/06/59/59/283065959.db2.gz NRLFUKDWYRHSCI-KGLIPLIRSA-N 2 1 254.443 2.298 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCSC[C@H]1C1CC1 ZINC000451653854 283065998 /nfs/dbraw/zinc/06/59/98/283065998.db2.gz NRLFUKDWYRHSCI-KBPBESRZSA-N 2 1 254.443 2.298 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451653854 283066001 /nfs/dbraw/zinc/06/60/01/283066001.db2.gz NRLFUKDWYRHSCI-KBPBESRZSA-N 2 1 254.443 2.298 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCSC[C@H]1C1CC1 ZINC000451653854 283066005 /nfs/dbraw/zinc/06/60/05/283066005.db2.gz NRLFUKDWYRHSCI-KBPBESRZSA-N 2 1 254.443 2.298 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451647475 283063887 /nfs/dbraw/zinc/06/38/87/283063887.db2.gz IRGXDGHNZCGGPM-CQSZACIVSA-N 2 1 265.426 2.409 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451647475 283063890 /nfs/dbraw/zinc/06/38/90/283063890.db2.gz IRGXDGHNZCGGPM-CQSZACIVSA-N 2 1 265.426 2.409 20 0 CEADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000401132967 540077989 /nfs/dbraw/zinc/07/79/89/540077989.db2.gz UMHRWXKJNUKCRE-GJZGRUSLSA-N 2 1 261.413 2.313 20 0 CEADMP C[C@H]1C[C@@H](CN2CC[NH+](CCC(C)(C)C)CC2)CC[NH2+]1 ZINC000414692480 291056796 /nfs/dbraw/zinc/05/67/96/291056796.db2.gz QHUJHRZBXIZANL-HOTGVXAUSA-N 2 1 281.488 2.428 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451709525 283080351 /nfs/dbraw/zinc/08/03/51/283080351.db2.gz ONEOYGMAULFKBS-TWMKSMIVSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451709525 283080354 /nfs/dbraw/zinc/08/03/54/283080354.db2.gz ONEOYGMAULFKBS-TWMKSMIVSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451709525 283080357 /nfs/dbraw/zinc/08/03/57/283080357.db2.gz ONEOYGMAULFKBS-TWMKSMIVSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451709525 283080361 /nfs/dbraw/zinc/08/03/61/283080361.db2.gz ONEOYGMAULFKBS-TWMKSMIVSA-N 2 1 280.456 2.344 20 0 CEADMP C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCC[NH+]1C1CC1 ZINC000683695088 540201479 /nfs/dbraw/zinc/20/14/79/540201479.db2.gz ZKGLAFXOYUPEBU-XIRDDKMYSA-N 2 1 277.456 2.220 20 0 CEADMP C(N[C@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000683695088 540201481 /nfs/dbraw/zinc/20/14/81/540201481.db2.gz ZKGLAFXOYUPEBU-XIRDDKMYSA-N 2 1 277.456 2.220 20 0 CEADMP C(N[C@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000683695088 540201484 /nfs/dbraw/zinc/20/14/84/540201484.db2.gz ZKGLAFXOYUPEBU-XIRDDKMYSA-N 2 1 277.456 2.220 20 0 CEADMP C([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCCN1C1CC1 ZINC000683695088 540201486 /nfs/dbraw/zinc/20/14/86/540201486.db2.gz ZKGLAFXOYUPEBU-XIRDDKMYSA-N 2 1 277.456 2.220 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H]3CCCOC3)C2)[nH+]1 ZINC000674301562 540237268 /nfs/dbraw/zinc/23/72/68/540237268.db2.gz STNHDZNGRFMKAL-HUUCEWRRSA-N 2 1 275.396 2.303 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H]3CCCOC3)C2)[nH+]1 ZINC000674301562 540237272 /nfs/dbraw/zinc/23/72/72/540237272.db2.gz STNHDZNGRFMKAL-HUUCEWRRSA-N 2 1 275.396 2.303 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(C)(C)C)C1 ZINC000386116595 540247194 /nfs/dbraw/zinc/24/71/94/540247194.db2.gz MBTMZJOEOXLYAF-UONOGXRCSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000386116595 540247196 /nfs/dbraw/zinc/24/71/96/540247196.db2.gz MBTMZJOEOXLYAF-UONOGXRCSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000386116595 540247198 /nfs/dbraw/zinc/24/71/98/540247198.db2.gz MBTMZJOEOXLYAF-UONOGXRCSA-N 2 1 256.434 2.056 20 0 CEADMP CCCC[C@@H]1CCC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338288659 366274642 /nfs/dbraw/zinc/27/46/42/366274642.db2.gz MERRHKVSJDXUOZ-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000338292740 366277975 /nfs/dbraw/zinc/27/79/75/366277975.db2.gz QNSVVTJNBWDHOA-STQMWFEESA-N 2 1 281.400 2.149 20 0 CEADMP COC(=O)CC1([NH2+]CCCCn2cc[nH+]c2C)CCCC1 ZINC000338332479 366300604 /nfs/dbraw/zinc/30/06/04/366300604.db2.gz IXQLKAZGSDINEE-UHFFFAOYSA-N 2 1 293.411 2.437 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[NH+](C)C[C@H]1C ZINC000353489387 283186898 /nfs/dbraw/zinc/18/68/98/283186898.db2.gz JBEHQTWUWGBHMA-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000353489387 283186904 /nfs/dbraw/zinc/18/69/04/283186904.db2.gz JBEHQTWUWGBHMA-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000353489387 283186908 /nfs/dbraw/zinc/18/69/08/283186908.db2.gz JBEHQTWUWGBHMA-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP CCOC(=O)CCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860205 363493694 /nfs/dbraw/zinc/49/36/94/363493694.db2.gz YAZJSVJGBZCVJW-CQSZACIVSA-N 2 1 270.417 2.136 20 0 CEADMP CCOC(=O)CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860205 363493701 /nfs/dbraw/zinc/49/37/01/363493701.db2.gz YAZJSVJGBZCVJW-CQSZACIVSA-N 2 1 270.417 2.136 20 0 CEADMP CCOC(=O)CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860205 363493706 /nfs/dbraw/zinc/49/37/06/363493706.db2.gz YAZJSVJGBZCVJW-CQSZACIVSA-N 2 1 270.417 2.136 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000134412247 366318003 /nfs/dbraw/zinc/31/80/03/366318003.db2.gz XGBJLVMSXVNVKZ-YGRLFVJLSA-N 2 1 254.324 2.395 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000134412247 366318008 /nfs/dbraw/zinc/31/80/08/366318008.db2.gz XGBJLVMSXVNVKZ-YGRLFVJLSA-N 2 1 254.324 2.395 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000452174446 283213896 /nfs/dbraw/zinc/21/38/96/283213896.db2.gz QCONRAZUVBZFKH-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](CC)CC ZINC000338427879 366352544 /nfs/dbraw/zinc/35/25/44/366352544.db2.gz ZWIQIEPAIRLALA-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)CCO1 ZINC000575907372 366372680 /nfs/dbraw/zinc/37/26/80/366372680.db2.gz CSJXOIIXJDTMAY-JJXSEGSLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)CCO1 ZINC000575907372 366372686 /nfs/dbraw/zinc/37/26/86/366372686.db2.gz CSJXOIIXJDTMAY-JJXSEGSLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)CCO1 ZINC000575907372 366372691 /nfs/dbraw/zinc/37/26/91/366372691.db2.gz CSJXOIIXJDTMAY-JJXSEGSLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CCO1 ZINC000575907372 366372696 /nfs/dbraw/zinc/37/26/96/366372696.db2.gz CSJXOIIXJDTMAY-JJXSEGSLSA-N 2 1 268.445 2.464 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668228653 538749586 /nfs/dbraw/zinc/74/95/86/538749586.db2.gz OIBPFKBLWGAXSZ-INIZCTEOSA-N 2 1 299.422 2.182 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc(N2CCOC2=O)c1 ZINC000496206653 291118106 /nfs/dbraw/zinc/11/81/06/291118106.db2.gz LQCGIHUNUMUQJS-GFCCVEGCSA-N 2 1 289.379 2.175 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000389864167 540368504 /nfs/dbraw/zinc/36/85/04/540368504.db2.gz JWJJUAHSZXSJEB-NXHRZFHOSA-N 2 1 287.451 2.239 20 0 CEADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000414892110 540378770 /nfs/dbraw/zinc/37/87/70/540378770.db2.gz IYYSZPYUJVJXRC-COXVUDFISA-N 2 1 292.398 2.287 20 0 CEADMP C[C@@H]1C[C@@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CC[NH2+]1 ZINC000414703574 236453181 /nfs/dbraw/zinc/45/31/81/236453181.db2.gz VPLRKAQGSKYMPW-ZBFHGGJFSA-N 3 1 290.455 2.063 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000577741765 366390665 /nfs/dbraw/zinc/39/06/65/366390665.db2.gz AWWKDFUPDPTMHR-IRXDYDNUSA-N 2 1 294.414 2.102 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000577741765 366390669 /nfs/dbraw/zinc/39/06/69/366390669.db2.gz AWWKDFUPDPTMHR-IRXDYDNUSA-N 2 1 294.414 2.102 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000577741765 366390675 /nfs/dbraw/zinc/39/06/75/366390675.db2.gz AWWKDFUPDPTMHR-IRXDYDNUSA-N 2 1 294.414 2.102 20 0 CEADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414981987 236584330 /nfs/dbraw/zinc/58/43/30/236584330.db2.gz YLNSRANATUTCLP-RDJZCZTQSA-N 2 1 289.467 2.236 20 0 CEADMP CC(C)OCCC[N@H+](C)CCCc1c[nH+]cn1C ZINC000570859894 299282097 /nfs/dbraw/zinc/28/20/97/299282097.db2.gz LJZYCNLVEPLAPH-UHFFFAOYSA-N 2 1 253.390 2.100 20 0 CEADMP CC(C)OCCC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000570859894 299282099 /nfs/dbraw/zinc/28/20/99/299282099.db2.gz LJZYCNLVEPLAPH-UHFFFAOYSA-N 2 1 253.390 2.100 20 0 CEADMP CCCc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000578206324 366459945 /nfs/dbraw/zinc/45/99/45/366459945.db2.gz PAAMPJMXWYCXBW-VXGBXAGGSA-N 2 1 251.374 2.295 20 0 CEADMP CN1CCN([C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000136069612 366492535 /nfs/dbraw/zinc/49/25/35/366492535.db2.gz BDLLDUYQNFQGJS-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000136069612 366492540 /nfs/dbraw/zinc/49/25/40/366492540.db2.gz BDLLDUYQNFQGJS-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000136069612 366492549 /nfs/dbraw/zinc/49/25/49/366492549.db2.gz BDLLDUYQNFQGJS-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccncc2)C[C@@H]1n1ccnc1 ZINC000136095004 366493409 /nfs/dbraw/zinc/49/34/09/366493409.db2.gz KGWQJUYUIFCMFE-ZFWWWQNUSA-N 2 1 256.353 2.361 20 0 CEADMP Cc1csc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000671740873 540497111 /nfs/dbraw/zinc/49/71/11/540497111.db2.gz RPWCHENIHUDCFJ-MGPQQGTHSA-N 2 1 279.453 2.456 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CCCCC2)[C@H]2CCC[C@H]21 ZINC000671753037 540501886 /nfs/dbraw/zinc/50/18/86/540501886.db2.gz WAPWHODWOQXYEE-OWCLPIDISA-N 2 1 280.456 2.392 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417355601 237095359 /nfs/dbraw/zinc/09/53/59/237095359.db2.gz OFINWCLOSYRCBX-DZJNRPSUSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417355601 237095364 /nfs/dbraw/zinc/09/53/64/237095364.db2.gz OFINWCLOSYRCBX-DZJNRPSUSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1c(F)cncc1F ZINC000671770695 540508259 /nfs/dbraw/zinc/50/82/59/540508259.db2.gz BNXPUXNXIVWGCZ-GARJFASQSA-N 2 1 269.339 2.493 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667873885 540527311 /nfs/dbraw/zinc/52/73/11/540527311.db2.gz QHVIAMXQLAMVOS-HUUCEWRRSA-N 2 1 263.385 2.129 20 0 CEADMP FC(F)O[C@H]1CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000668112745 540569357 /nfs/dbraw/zinc/56/93/57/540569357.db2.gz VZBFVDUKNBEBTD-ZDUSSCGKSA-N 2 1 294.305 2.081 20 0 CEADMP COC1(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000571140274 299294339 /nfs/dbraw/zinc/29/43/39/299294339.db2.gz NIHZRWCBQCNGKE-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000668196174 540583752 /nfs/dbraw/zinc/58/37/52/540583752.db2.gz FRDXRLNRNGJFKM-INIZCTEOSA-N 2 1 277.412 2.060 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000672619009 540629176 /nfs/dbraw/zinc/62/91/76/540629176.db2.gz HKLQHEHVSXNIMQ-CYBMUJFWSA-N 2 1 282.815 2.100 20 0 CEADMP C[NH+](C)C[C@H]1CCN(CC[N@@H+](C)Cc2ccccc2)C1 ZINC000297487781 200207280 /nfs/dbraw/zinc/20/72/80/200207280.db2.gz MFTVWZDVDLFUBI-QGZVFWFLSA-N 2 1 275.440 2.002 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000579022697 366583491 /nfs/dbraw/zinc/58/34/91/366583491.db2.gz SWUUHOQRLBXBHR-KRWDZBQOSA-N 2 1 287.407 2.408 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H](CCO)c1ccccc1 ZINC000579022697 366583500 /nfs/dbraw/zinc/58/35/00/366583500.db2.gz SWUUHOQRLBXBHR-KRWDZBQOSA-N 2 1 287.407 2.408 20 0 CEADMP Clc1cccnc1OCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297676848 200259101 /nfs/dbraw/zinc/25/91/01/200259101.db2.gz OZTTZKCDTUGBKF-UHFFFAOYSA-N 2 1 295.814 2.330 20 0 CEADMP COc1cc(C)nc(CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1 ZINC000579254911 366619250 /nfs/dbraw/zinc/61/92/50/366619250.db2.gz ZJTZLSCBPUQAFV-LSDHHAIUSA-N 2 1 275.396 2.067 20 0 CEADMP COc1cc(C)[nH+]c(CN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000579254911 366619254 /nfs/dbraw/zinc/61/92/54/366619254.db2.gz ZJTZLSCBPUQAFV-LSDHHAIUSA-N 2 1 275.396 2.067 20 0 CEADMP COc1cc(C)[nH+]c(CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1 ZINC000579254911 366619261 /nfs/dbraw/zinc/61/92/61/366619261.db2.gz ZJTZLSCBPUQAFV-LSDHHAIUSA-N 2 1 275.396 2.067 20 0 CEADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339065620 366639094 /nfs/dbraw/zinc/63/90/94/366639094.db2.gz BPWFOMTVBFZUEL-UTUOFQBUSA-N 2 1 280.334 2.170 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC000037874329 299303385 /nfs/dbraw/zinc/30/33/85/299303385.db2.gz CPUYXCKQJJZASO-CYIKRSNASA-N 2 1 280.456 2.103 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298257898 200374287 /nfs/dbraw/zinc/37/42/87/200374287.db2.gz FGVUXTWIDCOWDL-KRWDZBQOSA-N 2 1 274.408 2.245 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H](CC)[C@@H](O)C(F)(F)F)CC1 ZINC000341882488 216137498 /nfs/dbraw/zinc/13/74/98/216137498.db2.gz TVDBYDJTQORMHR-NWDGAFQWSA-N 2 1 282.350 2.152 20 0 CEADMP C[NH+]1CCC([NH2+]CCN2CCCc3ccccc32)CC1 ZINC000674047194 540719109 /nfs/dbraw/zinc/71/91/09/540719109.db2.gz GVXOGBVYTVLAAB-UHFFFAOYSA-N 2 1 273.424 2.123 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2cnn(C)c2)[C@@H](C)C1 ZINC000674305202 540743192 /nfs/dbraw/zinc/74/31/92/540743192.db2.gz GKJKQUNCWRPLFF-GOEBONIOSA-N 2 1 278.444 2.015 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2cnn(C)c2)[C@@H](C)C1 ZINC000674305202 540743197 /nfs/dbraw/zinc/74/31/97/540743197.db2.gz GKJKQUNCWRPLFF-GOEBONIOSA-N 2 1 278.444 2.015 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2cnn(C)c2)[C@@H](C)C1 ZINC000674305202 540743200 /nfs/dbraw/zinc/74/32/00/540743200.db2.gz GKJKQUNCWRPLFF-GOEBONIOSA-N 2 1 278.444 2.015 20 0 CEADMP COc1ccc(C[NH2+]CCn2cc[nH+]c2C)c(C)c1OC ZINC000342029644 216192971 /nfs/dbraw/zinc/19/29/71/216192971.db2.gz SXWGUTRTZWUZPD-UHFFFAOYSA-N 2 1 289.379 2.307 20 0 CEADMP CN(C)c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166489873 540813175 /nfs/dbraw/zinc/81/31/75/540813175.db2.gz LFJSAVCAPGUXGU-DOTOQJQBSA-N 2 1 273.424 2.469 20 0 CEADMP Cc1ncc(C[N@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000179241174 189180300 /nfs/dbraw/zinc/18/03/00/189180300.db2.gz CUQDVSGQMFLONE-UHFFFAOYSA-N 2 1 264.398 2.479 20 0 CEADMP Cc1ncc(C[N@@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000179241174 189180301 /nfs/dbraw/zinc/18/03/01/189180301.db2.gz CUQDVSGQMFLONE-UHFFFAOYSA-N 2 1 264.398 2.479 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc(CO)c(F)c2)CC1 ZINC000675767723 540872273 /nfs/dbraw/zinc/87/22/73/540872273.db2.gz IOIOOKQGKMUFRE-UHFFFAOYSA-N 2 1 280.387 2.282 20 0 CEADMP COCCN1CCC([NH2+][C@H](C)c2nc(C)cs2)CC1 ZINC000675809841 540875689 /nfs/dbraw/zinc/87/56/89/540875689.db2.gz NVYIUYULAYLPEW-GFCCVEGCSA-N 2 1 283.441 2.213 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2(CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000675925634 540883386 /nfs/dbraw/zinc/88/33/86/540883386.db2.gz KHZLXVXRGCPUTR-DOTOQJQBSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000675925634 540883387 /nfs/dbraw/zinc/88/33/87/540883387.db2.gz KHZLXVXRGCPUTR-DOTOQJQBSA-N 2 1 288.435 2.402 20 0 CEADMP CC[C@@H](CO)[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180156429 189239890 /nfs/dbraw/zinc/23/98/90/189239890.db2.gz BIODGFUALKTRFA-XSLAGTTESA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000153729554 366738129 /nfs/dbraw/zinc/73/81/29/366738129.db2.gz SWKSBKQLYRXONL-KCYZZUKISA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153729554 366738133 /nfs/dbraw/zinc/73/81/33/366738133.db2.gz SWKSBKQLYRXONL-KCYZZUKISA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153729554 366738139 /nfs/dbraw/zinc/73/81/39/366738139.db2.gz SWKSBKQLYRXONL-KCYZZUKISA-N 2 1 279.472 2.322 20 0 CEADMP CCOC(=O)[C@@H](CC(C)C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000182356906 189321405 /nfs/dbraw/zinc/32/14/05/189321405.db2.gz IQEHRXBPHZDNRL-OAHLLOKOSA-N 2 1 295.427 2.491 20 0 CEADMP CCOC(=O)[C@@H](CC(C)C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000182356906 189321406 /nfs/dbraw/zinc/32/14/06/189321406.db2.gz IQEHRXBPHZDNRL-OAHLLOKOSA-N 2 1 295.427 2.491 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000182386386 189322297 /nfs/dbraw/zinc/32/22/97/189322297.db2.gz WDPJYOCGMXEZKK-QGZVFWFLSA-N 2 1 276.424 2.477 20 0 CEADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(OC)cc1 ZINC000154260768 366765296 /nfs/dbraw/zinc/76/52/96/366765296.db2.gz OTUFSAJCSWCUAY-GOEBONIOSA-N 2 1 280.412 2.049 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(CO)cc2)CC[N@@H+]1C ZINC000182824342 189336396 /nfs/dbraw/zinc/33/63/96/189336396.db2.gz DAEGZNZFWZAIDR-CZUORRHYSA-N 2 1 262.397 2.093 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(CO)cc2)CC[N@H+]1C ZINC000182824342 189336397 /nfs/dbraw/zinc/33/63/97/189336397.db2.gz DAEGZNZFWZAIDR-CZUORRHYSA-N 2 1 262.397 2.093 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(CO)cc2)CC[NH+]1C ZINC000182824342 189336398 /nfs/dbraw/zinc/33/63/98/189336398.db2.gz DAEGZNZFWZAIDR-CZUORRHYSA-N 2 1 262.397 2.093 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(CO)cc2)CC[NH+]1C ZINC000182824342 189336399 /nfs/dbraw/zinc/33/63/99/189336399.db2.gz DAEGZNZFWZAIDR-CZUORRHYSA-N 2 1 262.397 2.093 20 0 CEADMP COC(C)(C)[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000340233647 366812005 /nfs/dbraw/zinc/81/20/05/366812005.db2.gz ZMEDXRFFYHDVNC-NEPJUHHUSA-N 2 1 253.390 2.231 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000581548829 366793702 /nfs/dbraw/zinc/79/37/02/366793702.db2.gz XLYLJSRXYZHBMG-QGZVFWFLSA-N 2 1 274.408 2.409 20 0 CEADMP C[C@H](CCCCO)[NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000679341544 541260233 /nfs/dbraw/zinc/26/02/33/541260233.db2.gz MSUAFHPIGNXNCE-ILXRZTDVSA-N 2 1 256.434 2.390 20 0 CEADMP C[C@H](CCCCO)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000679330083 541256823 /nfs/dbraw/zinc/25/68/23/541256823.db2.gz XUAFCAQJGGZGGH-CABCVRRESA-N 2 1 256.434 2.392 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000087406978 363853116 /nfs/dbraw/zinc/85/31/16/363853116.db2.gz OQXMFNCVQMCZOA-CYBMUJFWSA-N 2 1 264.417 2.255 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000087407139 363853361 /nfs/dbraw/zinc/85/33/61/363853361.db2.gz QKXSGFQJPMUSLR-GFCCVEGCSA-N 2 1 264.417 2.252 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C[NH3+])C(C)C)CC1 ZINC000087528215 363860405 /nfs/dbraw/zinc/86/04/05/363860405.db2.gz YGQGUOODKKNWCK-MRXNPFEDSA-N 2 1 297.487 2.188 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCCCO)C1 ZINC000679356642 541263941 /nfs/dbraw/zinc/26/39/41/541263941.db2.gz FDCGLGOSVUIUDS-HZPDHXFCSA-N 2 1 270.461 2.495 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000088100142 363878156 /nfs/dbraw/zinc/87/81/56/363878156.db2.gz NSUGKYDKNLMVNQ-BBRMVZONSA-N 2 1 274.408 2.223 20 0 CEADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCc3cncs3)C2)C1 ZINC000334646933 364129928 /nfs/dbraw/zinc/12/99/28/364129928.db2.gz RNSUPABREBNOGK-CQSZACIVSA-N 2 1 265.426 2.103 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3cncs3)C2)C1 ZINC000334646933 364129932 /nfs/dbraw/zinc/12/99/32/364129932.db2.gz RNSUPABREBNOGK-CQSZACIVSA-N 2 1 265.426 2.103 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3cncs3)C2)C1 ZINC000334646933 364129935 /nfs/dbraw/zinc/12/99/35/364129935.db2.gz RNSUPABREBNOGK-CQSZACIVSA-N 2 1 265.426 2.103 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3cncs3)C2)C1 ZINC000334646933 364129938 /nfs/dbraw/zinc/12/99/38/364129938.db2.gz RNSUPABREBNOGK-CQSZACIVSA-N 2 1 265.426 2.103 20 0 CEADMP C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C[NH+]1CCCCC1 ZINC000093451277 364182594 /nfs/dbraw/zinc/18/25/94/364182594.db2.gz RZGHMRNJHPDKDL-BBWFWOEESA-N 3 1 279.472 2.373 20 0 CEADMP CC[C@](C)(C[NH2+]C1CC[NH+](CCOC(C)C)CC1)OC ZINC000638725261 370713982 /nfs/dbraw/zinc/71/39/82/370713982.db2.gz HGYCPCSQPGCBID-MRXNPFEDSA-N 2 1 286.460 2.281 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@H](CCO)C(C)(C)C)s1 ZINC000356444304 370714048 /nfs/dbraw/zinc/71/40/48/370714048.db2.gz YEEALKORGJCENH-GFCCVEGCSA-N 2 1 285.457 2.091 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000237531777 370729889 /nfs/dbraw/zinc/72/98/89/370729889.db2.gz PQUQDRRLPUKBDJ-RHSMWYFYSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000237718371 370748378 /nfs/dbraw/zinc/74/83/78/370748378.db2.gz PQUQDRRLPUKBDJ-WMLDXEAASA-N 2 1 295.471 2.145 20 0 CEADMP C(CN1CCCCC1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491212 364191624 /nfs/dbraw/zinc/19/16/24/364191624.db2.gz RQWOZTDPVLPIJD-YESZJQIVSA-N 2 1 279.472 2.373 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CC[C@@H]1[NH3+] ZINC000094338887 364266343 /nfs/dbraw/zinc/26/63/43/364266343.db2.gz CZFQATUTYZXDHS-DOMZBBRYSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000335040079 364388980 /nfs/dbraw/zinc/38/89/80/364388980.db2.gz OLMWGCZUWKHHIC-HZMBPMFUSA-N 2 1 254.324 2.443 20 0 CEADMP C[N@H+](Cc1cccc(F)c1N)CC1CC[NH+](C)CC1 ZINC000156383269 366832785 /nfs/dbraw/zinc/83/27/85/366832785.db2.gz YICLLQYWEOBYGL-UHFFFAOYSA-N 2 1 265.376 2.182 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340361065 366862276 /nfs/dbraw/zinc/86/22/76/366862276.db2.gz YZGNKHUBSAPZKE-OAGGEKHMSA-N 2 1 262.397 2.182 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340361065 366862280 /nfs/dbraw/zinc/86/22/80/366862280.db2.gz YZGNKHUBSAPZKE-OAGGEKHMSA-N 2 1 262.397 2.182 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000102479259 364597018 /nfs/dbraw/zinc/59/70/18/364597018.db2.gz UTCAIEHKURYQTC-ZNMIVQPWSA-N 2 1 283.460 2.094 20 0 CEADMP CC[NH+](CCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000102479259 364597024 /nfs/dbraw/zinc/59/70/24/364597024.db2.gz UTCAIEHKURYQTC-ZNMIVQPWSA-N 2 1 283.460 2.094 20 0 CEADMP CC[NH+](CCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000102479259 364597031 /nfs/dbraw/zinc/59/70/31/364597031.db2.gz UTCAIEHKURYQTC-ZNMIVQPWSA-N 2 1 283.460 2.094 20 0 CEADMP c1cnn(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000103229138 364635458 /nfs/dbraw/zinc/63/54/58/364635458.db2.gz WKZIHKKQZFLZKX-QGZVFWFLSA-N 2 1 290.455 2.471 20 0 CEADMP c1cnn(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000103229138 364635464 /nfs/dbraw/zinc/63/54/64/364635464.db2.gz WKZIHKKQZFLZKX-QGZVFWFLSA-N 2 1 290.455 2.471 20 0 CEADMP C[N@@H+](CCOc1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000104097065 364677802 /nfs/dbraw/zinc/67/78/02/364677802.db2.gz RSNXGLSSFPDWIA-CQSZACIVSA-N 2 1 280.387 2.478 20 0 CEADMP c1ccc2c(c1)CCSC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335569414 364806105 /nfs/dbraw/zinc/80/61/05/364806105.db2.gz XRBBCCVQHKKRLN-OAHLLOKOSA-N 2 1 262.422 2.359 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(C[NH3+])cc2)C[C@@H]1C ZINC000335635559 212350555 /nfs/dbraw/zinc/35/05/55/212350555.db2.gz RTGZJZGZHYTBNO-STQMWFEESA-N 2 1 290.411 2.092 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2cc3ccccc3s2)CCCO1 ZINC000335635979 212350290 /nfs/dbraw/zinc/35/02/90/212350290.db2.gz BNIXTPYPQNVNFY-ZDUSSCGKSA-N 2 1 276.405 2.451 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CCCO1 ZINC000335635979 212350292 /nfs/dbraw/zinc/35/02/92/212350292.db2.gz BNIXTPYPQNVNFY-ZDUSSCGKSA-N 2 1 276.405 2.451 20 0 CEADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1=O ZINC000335608923 212320719 /nfs/dbraw/zinc/32/07/19/212320719.db2.gz DDXKSSPFZMMERO-HZPDHXFCSA-N 2 1 299.418 2.288 20 0 CEADMP C[C@H]1C[N@@H+](CC2(C)CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000335737207 364909012 /nfs/dbraw/zinc/90/90/12/364909012.db2.gz IJLZVCHFKHXTRO-JKSUJKDBSA-N 2 1 279.472 2.134 20 0 CEADMP C[C@@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)CC[N@H+]1C ZINC000335754331 364934155 /nfs/dbraw/zinc/93/41/55/364934155.db2.gz DHLNZDXTDXFYNX-HIFRSBDPSA-N 3 1 265.445 2.076 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000572181387 299351391 /nfs/dbraw/zinc/35/13/91/299351391.db2.gz AUGXMDWYYRHOCM-ZJIFWQFVSA-N 2 1 266.429 2.002 20 0 CEADMP COc1ccc(CC[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000114477704 364947800 /nfs/dbraw/zinc/94/78/00/364947800.db2.gz JMULTPGMJMGSBW-HNNXBMFYSA-N 2 1 262.397 2.121 20 0 CEADMP Cn1cncc1CC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000336002055 365274912 /nfs/dbraw/zinc/27/49/12/365274912.db2.gz SFUSOVQZBJYDQC-GOSISDBHSA-N 2 1 297.402 2.137 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCNC(=O)OC(C)(C)C ZINC000119765966 365322362 /nfs/dbraw/zinc/32/23/62/365322362.db2.gz GNFHDXIBLDKPSM-HZSPNIEDSA-N 2 1 299.459 2.220 20 0 CEADMP C[N@@H+](Cc1ccc(-n2ccnc2)nc1)[C@@H]1CCSC1 ZINC000119955159 365350995 /nfs/dbraw/zinc/35/09/95/365350995.db2.gz NOMUDTXNGUUMHB-CYBMUJFWSA-N 2 1 274.393 2.205 20 0 CEADMP c1cnn(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)c1 ZINC000336106488 365416365 /nfs/dbraw/zinc/41/63/65/365416365.db2.gz ROBJUTCZKMOFKT-DOTOQJQBSA-N 2 1 282.391 2.056 20 0 CEADMP c1cnn(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)c1 ZINC000336106488 365416370 /nfs/dbraw/zinc/41/63/70/365416370.db2.gz ROBJUTCZKMOFKT-DOTOQJQBSA-N 2 1 282.391 2.056 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000120247538 365395187 /nfs/dbraw/zinc/39/51/87/365395187.db2.gz XSBSRICMPOBDGE-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(Cc3nc4ccc(F)cc4o3)C2)C1 ZINC000336125614 365446170 /nfs/dbraw/zinc/44/61/70/365446170.db2.gz HCZKFIPLWMAQBN-INIZCTEOSA-N 2 1 289.354 2.495 20 0 CEADMP CC[C@H](Cn1cncn1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000340470995 366896916 /nfs/dbraw/zinc/89/69/16/366896916.db2.gz APERWKBUYUQJMI-HZPDHXFCSA-N 2 1 293.459 2.158 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000582367869 366901596 /nfs/dbraw/zinc/90/15/96/366901596.db2.gz IVFLQXFRANSCLA-HIFRSBDPSA-N 2 1 270.380 2.184 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000340482610 366902431 /nfs/dbraw/zinc/90/24/31/366902431.db2.gz CEILWOXBODOLFH-SJLPKXTDSA-N 2 1 288.435 2.491 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000340506236 366911439 /nfs/dbraw/zinc/91/14/39/366911439.db2.gz JADJHSOCRCPTFM-OAGGEKHMSA-N 2 1 295.471 2.190 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccccc1 ZINC000582763716 366954247 /nfs/dbraw/zinc/95/42/47/366954247.db2.gz ZEYPPZZKWABKTO-CVEARBPZSA-N 2 1 262.397 2.136 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccccc1 ZINC000582763716 366954253 /nfs/dbraw/zinc/95/42/53/366954253.db2.gz ZEYPPZZKWABKTO-CVEARBPZSA-N 2 1 262.397 2.136 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000582763716 366954260 /nfs/dbraw/zinc/95/42/60/366954260.db2.gz ZEYPPZZKWABKTO-CVEARBPZSA-N 2 1 262.397 2.136 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000582763716 366954267 /nfs/dbraw/zinc/95/42/67/366954267.db2.gz ZEYPPZZKWABKTO-CVEARBPZSA-N 2 1 262.397 2.136 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN(CCc1cccc(F)c1)C1CC1 ZINC000582823780 366961218 /nfs/dbraw/zinc/96/12/18/366961218.db2.gz JBCFNIGLLKTZNT-KRWDZBQOSA-N 2 1 294.414 2.145 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000582823780 366961226 /nfs/dbraw/zinc/96/12/26/366961226.db2.gz JBCFNIGLLKTZNT-KRWDZBQOSA-N 2 1 294.414 2.145 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000582823780 366961231 /nfs/dbraw/zinc/96/12/31/366961231.db2.gz JBCFNIGLLKTZNT-KRWDZBQOSA-N 2 1 294.414 2.145 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](CCc1cccc(F)c1)C1CC1 ZINC000582823780 366961237 /nfs/dbraw/zinc/96/12/37/366961237.db2.gz JBCFNIGLLKTZNT-KRWDZBQOSA-N 2 1 294.414 2.145 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](CCc1cccc(F)c1)C1CC1 ZINC000582823780 366961242 /nfs/dbraw/zinc/96/12/42/366961242.db2.gz JBCFNIGLLKTZNT-KRWDZBQOSA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000582823780 366961248 /nfs/dbraw/zinc/96/12/48/366961248.db2.gz JBCFNIGLLKTZNT-KRWDZBQOSA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000582823780 366961252 /nfs/dbraw/zinc/96/12/52/366961252.db2.gz JBCFNIGLLKTZNT-KRWDZBQOSA-N 2 1 294.414 2.145 20 0 CEADMP COc1ccc(C[C@H](C)C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1F ZINC000340670749 366977249 /nfs/dbraw/zinc/97/72/49/366977249.db2.gz BVOCICBEHHRPAG-SLEUVZQESA-N 2 1 280.387 2.292 20 0 CEADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1F ZINC000340670749 366977253 /nfs/dbraw/zinc/97/72/53/366977253.db2.gz BVOCICBEHHRPAG-SLEUVZQESA-N 2 1 280.387 2.292 20 0 CEADMP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)O1 ZINC000160329472 366995313 /nfs/dbraw/zinc/99/53/13/366995313.db2.gz LWARUASLGHLHNJ-MGPQQGTHSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)C1CC1 ZINC000583257873 367022297 /nfs/dbraw/zinc/02/22/97/367022297.db2.gz CNCDVVHDELHOCN-QRTARXTBSA-N 2 1 292.398 2.116 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)C1CC1 ZINC000583257873 367022302 /nfs/dbraw/zinc/02/23/02/367022302.db2.gz CNCDVVHDELHOCN-QRTARXTBSA-N 2 1 292.398 2.116 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000583374733 367039204 /nfs/dbraw/zinc/03/92/04/367039204.db2.gz WWGZFZKJPPIMNN-GFCCVEGCSA-N 2 1 274.368 2.101 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000583374733 367039210 /nfs/dbraw/zinc/03/92/10/367039210.db2.gz WWGZFZKJPPIMNN-GFCCVEGCSA-N 2 1 274.368 2.101 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000583389039 367041889 /nfs/dbraw/zinc/04/18/89/367041889.db2.gz WHBJJDNANBOYIT-GOSISDBHSA-N 2 1 299.418 2.335 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000583389039 367041891 /nfs/dbraw/zinc/04/18/91/367041891.db2.gz WHBJJDNANBOYIT-GOSISDBHSA-N 2 1 299.418 2.335 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](C)COC ZINC000583290403 367027212 /nfs/dbraw/zinc/02/72/12/367027212.db2.gz UUNNNJAIKIYMQA-AWEZNQCLSA-N 2 1 267.417 2.440 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](C)COC ZINC000583290403 367027217 /nfs/dbraw/zinc/02/72/17/367027217.db2.gz UUNNNJAIKIYMQA-AWEZNQCLSA-N 2 1 267.417 2.440 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cn1 ZINC000161579934 367098269 /nfs/dbraw/zinc/09/82/69/367098269.db2.gz WTBIPVIWRVZNLS-JGGQBBKZSA-N 2 1 261.413 2.251 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000583822886 367103780 /nfs/dbraw/zinc/10/37/80/367103780.db2.gz AWKYTDGUDCNNSL-HRCADAONSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cccn2C)C1 ZINC000161666215 367104904 /nfs/dbraw/zinc/10/49/04/367104904.db2.gz LLQKPLYXHZKEDJ-GJZGRUSLSA-N 2 1 263.429 2.483 20 0 CEADMP Cc1ccc(C[N@@H+](C)CCC[NH3+])c(-c2ccnn2C)c1 ZINC000584529617 367169088 /nfs/dbraw/zinc/16/90/88/367169088.db2.gz QJFZNOVJVXYTTD-UHFFFAOYSA-N 2 1 272.396 2.176 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000163177738 367222392 /nfs/dbraw/zinc/22/23/92/367222392.db2.gz VGMXQCOQBDYIKU-GHMZBOCLSA-N 2 1 270.323 2.457 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000163177738 367222399 /nfs/dbraw/zinc/22/23/99/367222399.db2.gz VGMXQCOQBDYIKU-GHMZBOCLSA-N 2 1 270.323 2.457 20 0 CEADMP c1cnn([C@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000162891966 367200836 /nfs/dbraw/zinc/20/08/36/367200836.db2.gz MTPYGBYPLLQLKH-HNNXBMFYSA-N 2 1 262.401 2.006 20 0 CEADMP c1cnn([C@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000162891966 367200841 /nfs/dbraw/zinc/20/08/41/367200841.db2.gz MTPYGBYPLLQLKH-HNNXBMFYSA-N 2 1 262.401 2.006 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1C ZINC000631346549 367255573 /nfs/dbraw/zinc/25/55/73/367255573.db2.gz NAYWZRKTHMSTHJ-ZNMIVQPWSA-N 2 1 297.487 2.199 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000341496584 367357049 /nfs/dbraw/zinc/35/70/49/367357049.db2.gz ZPJKOFYMMOHMLB-HNNXBMFYSA-N 2 1 291.439 2.426 20 0 CEADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)[C@H]1CCOC1 ZINC000164680472 367294125 /nfs/dbraw/zinc/29/41/25/367294125.db2.gz YUYVAVZNJAMDLL-LSDHHAIUSA-N 2 1 265.401 2.376 20 0 CEADMP CC(C)Cn1ccnc1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000164796592 367296213 /nfs/dbraw/zinc/29/62/13/367296213.db2.gz CXRRNBUSKMMFJE-QLFBSQMISA-N 2 1 278.444 2.357 20 0 CEADMP CCc1nc(NC[C@@H](Cc2ccccc2)[NH+](C)C)cc(C)[nH+]1 ZINC000341348132 367297252 /nfs/dbraw/zinc/29/72/52/367297252.db2.gz QUIXZGDOGMCFOM-MRXNPFEDSA-N 2 1 298.434 2.354 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CC[NH2+]C(C)C)c1 ZINC000165953610 367315202 /nfs/dbraw/zinc/31/52/02/367315202.db2.gz SIMGYHPCEZPUFP-UHFFFAOYSA-N 2 1 291.439 2.143 20 0 CEADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCn1cc[nH+]c1C ZINC000631575168 367412801 /nfs/dbraw/zinc/41/28/01/367412801.db2.gz BTFBOBDDZBMRMD-INIZCTEOSA-N 2 1 271.364 2.477 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631669724 367475217 /nfs/dbraw/zinc/47/52/17/367475217.db2.gz KFFZNFMUCQXDLU-BGTYHANMSA-N 2 1 288.435 2.258 20 0 CEADMP C(c1nc(C2CCC2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000631827064 367566261 /nfs/dbraw/zinc/56/62/61/367566261.db2.gz DOBKQNBZFLNURB-AWEZNQCLSA-N 2 1 290.411 2.301 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3C)C2)CC1 ZINC000171528991 367561332 /nfs/dbraw/zinc/56/13/32/367561332.db2.gz FUZWRBDQSCNDPF-GOSISDBHSA-N 2 1 287.451 2.207 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000631752972 367523151 /nfs/dbraw/zinc/52/31/51/367523151.db2.gz AMWVMSQRBBWAFG-RMPHRYRLSA-N 2 1 262.319 2.400 20 0 CEADMP CSc1ccc(OCC[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631839632 367580595 /nfs/dbraw/zinc/58/05/95/367580595.db2.gz IVIMRNVXPJJKOU-CHWSQXEVSA-N 2 1 280.437 2.314 20 0 CEADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841723 367582763 /nfs/dbraw/zinc/58/27/63/367582763.db2.gz OUCMNYUWMJMYLD-YRGRVCCFSA-N 2 1 286.379 2.324 20 0 CEADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841723 367582771 /nfs/dbraw/zinc/58/27/71/367582771.db2.gz OUCMNYUWMJMYLD-YRGRVCCFSA-N 2 1 286.379 2.324 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2OC(F)F)C[C@H]1C[NH3+] ZINC000631842071 367584536 /nfs/dbraw/zinc/58/45/36/367584536.db2.gz UUESVKFSPDEOPZ-ZYHUDNBSSA-N 2 1 270.323 2.315 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2OC(F)F)C[C@H]1C[NH3+] ZINC000631842071 367584539 /nfs/dbraw/zinc/58/45/39/367584539.db2.gz UUESVKFSPDEOPZ-ZYHUDNBSSA-N 2 1 270.323 2.315 20 0 CEADMP Cc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cn1 ZINC000335543072 212242512 /nfs/dbraw/zinc/24/25/12/212242512.db2.gz HPWGSAKOMWKCOT-CQSZACIVSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1nn(C)c(C)c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335543089 212242093 /nfs/dbraw/zinc/24/20/93/212242093.db2.gz IFQOSSONWIFEAE-LBPRGKRZSA-N 2 1 276.428 2.001 20 0 CEADMP Cc1ccncc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335542424 212242237 /nfs/dbraw/zinc/24/22/37/212242237.db2.gz FILVZSLOGTVXMZ-CQSZACIVSA-N 2 1 259.397 2.354 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)cc2)cn1 ZINC000631889958 367610410 /nfs/dbraw/zinc/61/04/10/367610410.db2.gz NNIDZVHSMBKMLY-FUHWJXTLSA-N 2 1 296.418 2.446 20 0 CEADMP COc1cccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631889185 367610706 /nfs/dbraw/zinc/61/07/06/367610706.db2.gz CXWQPAWGWQUBRD-WMLDXEAASA-N 2 1 290.407 2.148 20 0 CEADMP Cc1[nH+]ccn1CCCN1C[C@H](C[NH3+])Cc2ccccc21 ZINC000631894619 367614701 /nfs/dbraw/zinc/61/47/01/367614701.db2.gz YUOHDPHQUQRUPG-HNNXBMFYSA-N 2 1 284.407 2.219 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000572502472 299374889 /nfs/dbraw/zinc/37/48/89/299374889.db2.gz TZEWKRLKXSPUHS-SJORKVTESA-N 2 1 279.472 2.419 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000572532914 299377152 /nfs/dbraw/zinc/37/71/52/299377152.db2.gz JSKADIUDORIUMO-AWEZNQCLSA-N 2 1 254.418 2.003 20 0 CEADMP FC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000343247972 367723982 /nfs/dbraw/zinc/72/39/82/367723982.db2.gz TXJIGHVKLWDUNL-IJLUTSLNSA-N 2 1 280.334 2.076 20 0 CEADMP COCC[N@@H+](CCCn1ccnc1)Cc1cccs1 ZINC000343258693 367729124 /nfs/dbraw/zinc/72/91/24/367729124.db2.gz JNPWYTQUOKSXFG-UHFFFAOYSA-N 2 1 279.409 2.483 20 0 CEADMP COc1ccc(OC)c([C@H](C)N[C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000358055699 370888224 /nfs/dbraw/zinc/88/82/24/370888224.db2.gz CCRMKVGJUXJXOK-XUJVJEKNSA-N 2 1 278.396 2.305 20 0 CEADMP COc1ccc(OC)c([C@H](C)N[C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000358055699 370888225 /nfs/dbraw/zinc/88/82/25/370888225.db2.gz CCRMKVGJUXJXOK-XUJVJEKNSA-N 2 1 278.396 2.305 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000173181036 367878271 /nfs/dbraw/zinc/87/82/71/367878271.db2.gz RZEYVWGOBNDWDH-GOEBONIOSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000173181066 367878376 /nfs/dbraw/zinc/87/83/76/367878376.db2.gz RZEYVWGOBNDWDH-HOCLYGCPSA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC000343764770 367993477 /nfs/dbraw/zinc/99/34/77/367993477.db2.gz WQIDJAUMTBVRPJ-OAHLLOKOSA-N 2 1 254.418 2.385 20 0 CEADMP [NH3+]CC1CCC([N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000335525059 212215873 /nfs/dbraw/zinc/21/58/73/212215873.db2.gz AJMCLBUKQPMJQA-YMAMQOFZSA-N 2 1 252.402 2.006 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(CO)o2)C1 ZINC000174272675 368004974 /nfs/dbraw/zinc/00/49/74/368004974.db2.gz ZHHDXUTYAXKQEL-CQSZACIVSA-N 2 1 280.412 2.374 20 0 CEADMP CC(C)CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(C)(C)C ZINC000343829589 368027811 /nfs/dbraw/zinc/02/78/11/368027811.db2.gz MFFWKBLGVZHECM-GOEBONIOSA-N 2 1 270.461 2.494 20 0 CEADMP CC(C)CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(C)(C)C ZINC000343829589 368027815 /nfs/dbraw/zinc/02/78/15/368027815.db2.gz MFFWKBLGVZHECM-GOEBONIOSA-N 2 1 270.461 2.494 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCC3)C2)[C@@H](C)C1 ZINC000345176821 368181714 /nfs/dbraw/zinc/18/17/14/368181714.db2.gz ZJIPXIWNFIHQGZ-UXLLHSPISA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@@H](C)C1 ZINC000345176821 368181716 /nfs/dbraw/zinc/18/17/16/368181716.db2.gz ZJIPXIWNFIHQGZ-UXLLHSPISA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@@H](C)C1 ZINC000345176821 368181718 /nfs/dbraw/zinc/18/17/18/368181718.db2.gz ZJIPXIWNFIHQGZ-UXLLHSPISA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000345255471 368210355 /nfs/dbraw/zinc/21/03/55/368210355.db2.gz VOMMNCFSHRKTGD-CABCVRRESA-N 2 1 264.417 2.126 20 0 CEADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccoc1 ZINC000178739422 368309904 /nfs/dbraw/zinc/30/99/04/368309904.db2.gz VMJHMLLNPIWPGD-AWEZNQCLSA-N 2 1 279.428 2.204 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(O)cc1 ZINC000682404630 541659509 /nfs/dbraw/zinc/65/95/09/541659509.db2.gz HHQQTCQHUXJCMR-PVAVHDDUSA-N 2 1 290.407 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(O)cc1 ZINC000682404630 541659513 /nfs/dbraw/zinc/65/95/13/541659513.db2.gz HHQQTCQHUXJCMR-PVAVHDDUSA-N 2 1 290.407 2.076 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(CCO[C@@H]2CCCCO2)C1 ZINC000181730719 368489234 /nfs/dbraw/zinc/48/92/34/368489234.db2.gz ZYEDCZOUJALXIH-JKSUJKDBSA-N 2 1 284.444 2.193 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000181730719 368489236 /nfs/dbraw/zinc/48/92/36/368489236.db2.gz ZYEDCZOUJALXIH-JKSUJKDBSA-N 2 1 284.444 2.193 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000181730719 368489239 /nfs/dbraw/zinc/48/92/39/368489239.db2.gz ZYEDCZOUJALXIH-JKSUJKDBSA-N 2 1 284.444 2.193 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000181730719 368489240 /nfs/dbraw/zinc/48/92/40/368489240.db2.gz ZYEDCZOUJALXIH-JKSUJKDBSA-N 2 1 284.444 2.193 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000181730719 368489241 /nfs/dbraw/zinc/48/92/41/368489241.db2.gz ZYEDCZOUJALXIH-JKSUJKDBSA-N 2 1 284.444 2.193 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C12CCC2 ZINC000181751722 368492068 /nfs/dbraw/zinc/49/20/68/368492068.db2.gz IGNKWABRCDJHRW-GJZGRUSLSA-N 2 1 296.455 2.035 20 0 CEADMP Cc1noc([C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000346269923 368614416 /nfs/dbraw/zinc/61/44/16/368614416.db2.gz MSTSCALIZXDQTO-AWEZNQCLSA-N 2 1 278.400 2.043 20 0 CEADMP Cc1noc([C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000346269923 368614420 /nfs/dbraw/zinc/61/44/20/368614420.db2.gz MSTSCALIZXDQTO-AWEZNQCLSA-N 2 1 278.400 2.043 20 0 CEADMP C[N@@H+](CCCNc1cc[nH+]cc1C(N)=O)Cc1ccccc1 ZINC000184041857 368665965 /nfs/dbraw/zinc/66/59/65/368665965.db2.gz KXFKYZAREMOOIX-UHFFFAOYSA-N 2 1 298.390 2.115 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)[C@@H](C)C1 ZINC000346552930 368714645 /nfs/dbraw/zinc/71/46/45/368714645.db2.gz BJKTUADRBWZUOK-IKGGRYGDSA-N 2 1 281.488 2.428 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCO2)[C@H](C)C1 ZINC000346554600 368716246 /nfs/dbraw/zinc/71/62/46/368716246.db2.gz IUDQLSVSSDRNGL-NCOADZHNSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@@H](C(=O)NCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCCCCC1 ZINC000246104665 370909253 /nfs/dbraw/zinc/90/92/53/370909253.db2.gz CTRSJLNVNYWHBI-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCNC(=O)CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000246240883 370934896 /nfs/dbraw/zinc/93/48/96/370934896.db2.gz HTIWSTWDGNGPOY-CABCVRRESA-N 2 1 292.427 2.072 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC000246242750 370935109 /nfs/dbraw/zinc/93/51/09/370935109.db2.gz RUNGKMODXCOCNJ-ROUUACIJSA-N 2 1 290.451 2.254 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000246242750 370935114 /nfs/dbraw/zinc/93/51/14/370935114.db2.gz RUNGKMODXCOCNJ-ROUUACIJSA-N 2 1 290.451 2.254 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000246242750 370935119 /nfs/dbraw/zinc/93/51/19/370935119.db2.gz RUNGKMODXCOCNJ-ROUUACIJSA-N 2 1 290.451 2.254 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc2c(c1)ncn2C ZINC000346675826 368764128 /nfs/dbraw/zinc/76/41/28/368764128.db2.gz JMRFPHQQXDBLSW-CQSZACIVSA-N 2 1 274.412 2.379 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000346686697 368770135 /nfs/dbraw/zinc/77/01/35/368770135.db2.gz SDHVQMUQKIOGLT-CHWSQXEVSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000346686697 368770138 /nfs/dbraw/zinc/77/01/38/368770138.db2.gz SDHVQMUQKIOGLT-CHWSQXEVSA-N 2 1 270.380 2.246 20 0 CEADMP Cc1cc(C)n2c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cnc2n1 ZINC000346693174 368776190 /nfs/dbraw/zinc/77/61/90/368776190.db2.gz LEIAXOCXFITAHJ-HNNXBMFYSA-N 2 1 289.427 2.151 20 0 CEADMP Cc1cc(C)n2c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cnc2n1 ZINC000346693174 368776193 /nfs/dbraw/zinc/77/61/93/368776193.db2.gz LEIAXOCXFITAHJ-HNNXBMFYSA-N 2 1 289.427 2.151 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc2c1NCC2 ZINC000346693352 368776264 /nfs/dbraw/zinc/77/62/64/368776264.db2.gz MLIHXRIQEQJRGV-HNNXBMFYSA-N 2 1 261.413 2.460 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000346691043 368772995 /nfs/dbraw/zinc/77/29/95/368772995.db2.gz UVLGGALDPNROST-AAEUAGOBSA-N 2 1 284.350 2.500 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000346632839 368744106 /nfs/dbraw/zinc/74/41/06/368744106.db2.gz FFJBTJUJEJMBDA-UHFFFAOYSA-N 2 1 251.399 2.191 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000346641349 368746501 /nfs/dbraw/zinc/74/65/01/368746501.db2.gz BOGTTWJCWHMGIS-YPMHNXCESA-N 2 1 288.420 2.374 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000346647518 368750217 /nfs/dbraw/zinc/75/02/17/368750217.db2.gz AQWCXOSNEPVHLK-VXGBXAGGSA-N 2 1 288.370 2.385 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346646128 368750430 /nfs/dbraw/zinc/75/04/30/368750430.db2.gz ACQYKTQFJRPHLO-FZMZJTMJSA-N 2 1 278.444 2.424 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000346660961 368757303 /nfs/dbraw/zinc/75/73/03/368757303.db2.gz AOQXQHDBHCYDTM-VNHYZAJKSA-N 2 1 262.397 2.468 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@H]2CCCO2)[C@H](C)C1 ZINC000347357302 368806726 /nfs/dbraw/zinc/80/67/26/368806726.db2.gz LIZIRBNMKXAHJK-TUVASFSCSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634685591 368814030 /nfs/dbraw/zinc/81/40/30/368814030.db2.gz QWBYLWODKGOJTO-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)O1 ZINC000634687996 368816089 /nfs/dbraw/zinc/81/60/89/368816089.db2.gz FCXPFRLKDMBKEC-QKPAOTATSA-N 2 1 266.429 2.266 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)[C@@H](C)C1 ZINC000634733403 368844806 /nfs/dbraw/zinc/84/48/06/368844806.db2.gz DYYHGDRVSCTUFT-KKUMJFAQSA-N 2 1 267.461 2.085 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)[C@@H](C)C1 ZINC000634733403 368844813 /nfs/dbraw/zinc/84/48/13/368844813.db2.gz DYYHGDRVSCTUFT-KKUMJFAQSA-N 3 1 267.461 2.085 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)[C@@H](C)C1 ZINC000634733403 368844821 /nfs/dbraw/zinc/84/48/21/368844821.db2.gz DYYHGDRVSCTUFT-KKUMJFAQSA-N 3 1 267.461 2.085 20 0 CEADMP CC[C@@H]1C[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634713279 368835168 /nfs/dbraw/zinc/83/51/68/368835168.db2.gz SZRHXNQHNFQAJZ-ZACQAIPSSA-N 2 1 274.408 2.012 20 0 CEADMP CC[C@@H]1C[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713279 368835171 /nfs/dbraw/zinc/83/51/71/368835171.db2.gz SZRHXNQHNFQAJZ-ZACQAIPSSA-N 2 1 274.408 2.012 20 0 CEADMP O[C@]1(C[NH2+]C2CC(F)(F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634713288 368835199 /nfs/dbraw/zinc/83/51/99/368835199.db2.gz TYCAXEKZMVPLSY-HNNXBMFYSA-N 2 1 296.361 2.011 20 0 CEADMP O[C@]1(C[NH2+]C2CC(F)(F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713288 368835201 /nfs/dbraw/zinc/83/52/01/368835201.db2.gz TYCAXEKZMVPLSY-HNNXBMFYSA-N 2 1 296.361 2.011 20 0 CEADMP O[C@@]1(C[NH2+]CC2=CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634722027 368839319 /nfs/dbraw/zinc/83/93/19/368839319.db2.gz IWVBANCNASJCKV-GOSISDBHSA-N 2 1 286.419 2.323 20 0 CEADMP O[C@@]1(C[NH2+]CC2=CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634722027 368839322 /nfs/dbraw/zinc/83/93/22/368839322.db2.gz IWVBANCNASJCKV-GOSISDBHSA-N 2 1 286.419 2.323 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000346838133 368790327 /nfs/dbraw/zinc/79/03/27/368790327.db2.gz QMQUWTUKXQIXOK-CVEARBPZSA-N 2 1 288.439 2.123 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000346838133 368790331 /nfs/dbraw/zinc/79/03/31/368790331.db2.gz QMQUWTUKXQIXOK-CVEARBPZSA-N 3 1 288.439 2.123 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000346838133 368790340 /nfs/dbraw/zinc/79/03/40/368790340.db2.gz QMQUWTUKXQIXOK-CVEARBPZSA-N 3 1 288.439 2.123 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000346985406 368794522 /nfs/dbraw/zinc/79/45/22/368794522.db2.gz PJEGVYVGIWOEMK-HZSPNIEDSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CCO[C@@H](C(F)F)CC1 ZINC000634751849 368862685 /nfs/dbraw/zinc/86/26/85/368862685.db2.gz YPANXKXVIKNKIF-QWHCGFSZSA-N 2 1 276.371 2.217 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000348099157 368896989 /nfs/dbraw/zinc/89/69/89/368896989.db2.gz CWZVMBYHRDMSDL-UONOGXRCSA-N 2 1 256.434 2.369 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCNC2=O)cc1 ZINC000348115197 368904878 /nfs/dbraw/zinc/90/48/78/368904878.db2.gz YZYYLKCKAPFCAO-MLGOLLRUSA-N 2 1 298.390 2.110 20 0 CEADMP CCN(C)C(=O)CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185727840 368849984 /nfs/dbraw/zinc/84/99/84/368849984.db2.gz UNCYOMNJYOFZDJ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH2+]CCCCCO)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724088 368850019 /nfs/dbraw/zinc/85/00/19/368850019.db2.gz HFRWRERKYQBUCH-GJZGRUSLSA-N 2 1 268.445 2.392 20 0 CEADMP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCCO1 ZINC000348281199 368982832 /nfs/dbraw/zinc/98/28/32/368982832.db2.gz KJHJULYYXICKNL-SOUVJXGZSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000348318341 369000782 /nfs/dbraw/zinc/00/07/82/369000782.db2.gz KFPLPMMPZSZXNE-WMLDXEAASA-N 2 1 291.439 2.379 20 0 CEADMP CCN(C)C(=O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000186808578 369047277 /nfs/dbraw/zinc/04/72/77/369047277.db2.gz NDPKDDYWOMNGPO-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC000634999092 369031282 /nfs/dbraw/zinc/03/12/82/369031282.db2.gz PVLQZTCWMUEBHK-DGCLKSJQSA-N 2 1 266.360 2.251 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC000634999092 369031287 /nfs/dbraw/zinc/03/12/87/369031287.db2.gz PVLQZTCWMUEBHK-DGCLKSJQSA-N 2 1 266.360 2.251 20 0 CEADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(-c2ccnn2C)c1 ZINC000634999793 369035803 /nfs/dbraw/zinc/03/58/03/369035803.db2.gz ZBSCHYCTXUMMHG-GDBMZVCRSA-N 2 1 298.434 2.422 20 0 CEADMP COc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1OC ZINC000348413839 369038932 /nfs/dbraw/zinc/03/89/32/369038932.db2.gz WMSUYMRBWFOHGV-GASCZTMLSA-N 2 1 290.407 2.006 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1OC ZINC000348413839 369038938 /nfs/dbraw/zinc/03/89/38/369038938.db2.gz WMSUYMRBWFOHGV-GASCZTMLSA-N 2 1 290.407 2.006 20 0 CEADMP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)c1OC ZINC000348413839 369038943 /nfs/dbraw/zinc/03/89/43/369038943.db2.gz WMSUYMRBWFOHGV-GASCZTMLSA-N 2 1 290.407 2.006 20 0 CEADMP COc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(C)c1OC ZINC000348413839 369038947 /nfs/dbraw/zinc/03/89/47/369038947.db2.gz WMSUYMRBWFOHGV-GASCZTMLSA-N 2 1 290.407 2.006 20 0 CEADMP c1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2c(c1)C[NH2+]CC2 ZINC000635005663 369041370 /nfs/dbraw/zinc/04/13/70/369041370.db2.gz WGHISTLGTSALMN-CEXWTWQISA-N 2 1 299.462 2.343 20 0 CEADMP Cc1nccnc1[C@H](C)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635009162 369045057 /nfs/dbraw/zinc/04/50/57/369045057.db2.gz UEMPXIIKAJMSQS-XJKSGUPXSA-N 2 1 284.407 2.396 20 0 CEADMP Cc1nccnc1[C@@H](C)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635009160 369045738 /nfs/dbraw/zinc/04/57/38/369045738.db2.gz UEMPXIIKAJMSQS-CJNGLKHVSA-N 2 1 284.407 2.396 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634957068 368991606 /nfs/dbraw/zinc/99/16/06/368991606.db2.gz CBKDQAJUPQOEEJ-OAHLLOKOSA-N 2 1 284.407 2.451 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+](C)CCCn3cc[nH+]c3C)cc12 ZINC000349331295 369300816 /nfs/dbraw/zinc/30/08/16/369300816.db2.gz LEQMLXDDVUGUCM-UHFFFAOYSA-N 2 1 298.394 2.293 20 0 CEADMP Cc1[nH]nc2ncc(C[N@@H+](C)CCCn3cc[nH+]c3C)cc12 ZINC000349331295 369300820 /nfs/dbraw/zinc/30/08/20/369300820.db2.gz LEQMLXDDVUGUCM-UHFFFAOYSA-N 2 1 298.394 2.293 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2c[nH+]ccc2N)c1 ZINC000188121356 369301513 /nfs/dbraw/zinc/30/15/13/369301513.db2.gz PWSMTDKFTXDNLM-UHFFFAOYSA-N 2 1 298.390 2.046 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccn(C)n1 ZINC000349465289 369334432 /nfs/dbraw/zinc/33/44/32/369334432.db2.gz VMKOEPNCZIISOF-TZMCWYRMSA-N 2 1 275.400 2.302 20 0 CEADMP CC(C)OCC[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000349849293 369421009 /nfs/dbraw/zinc/42/10/09/369421009.db2.gz BXXSUGOWCMOBOC-KRWDZBQOSA-N 2 1 298.471 2.113 20 0 CEADMP Cn1ccnc1[C@H](C1CC1)[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000639077947 370951780 /nfs/dbraw/zinc/95/17/80/370951780.db2.gz SXDIYOQMHKITNX-BBRMVZONSA-N 2 1 299.422 2.262 20 0 CEADMP Cn1ccnc1[C@H](C1CC1)[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000639077947 370951786 /nfs/dbraw/zinc/95/17/86/370951786.db2.gz SXDIYOQMHKITNX-BBRMVZONSA-N 2 1 299.422 2.262 20 0 CEADMP CC(C)C[C@@H](CO)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000189239119 369481803 /nfs/dbraw/zinc/48/18/03/369481803.db2.gz APRJIZIOZUUUFK-HNNXBMFYSA-N 2 1 256.434 2.201 20 0 CEADMP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358257066 370976713 /nfs/dbraw/zinc/97/67/13/370976713.db2.gz RYRSVTMXQMWNBD-ZWKOTPCHSA-N 2 1 290.451 2.444 20 0 CEADMP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358257066 370976721 /nfs/dbraw/zinc/97/67/21/370976721.db2.gz RYRSVTMXQMWNBD-ZWKOTPCHSA-N 2 1 290.451 2.444 20 0 CEADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000358228376 370961547 /nfs/dbraw/zinc/96/15/47/370961547.db2.gz FQBZSOITQSWROT-HUUCEWRRSA-N 2 1 282.815 2.447 20 0 CEADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000358228376 370961551 /nfs/dbraw/zinc/96/15/51/370961551.db2.gz FQBZSOITQSWROT-HUUCEWRRSA-N 2 1 282.815 2.447 20 0 CEADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358259409 370979178 /nfs/dbraw/zinc/97/91/78/370979178.db2.gz WWVANHKDENTBIH-SJORKVTESA-N 2 1 276.424 2.054 20 0 CEADMP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358259409 370979183 /nfs/dbraw/zinc/97/91/83/370979183.db2.gz WWVANHKDENTBIH-SJORKVTESA-N 2 1 276.424 2.054 20 0 CEADMP CCC1([NH+](C)C)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000636315097 369594713 /nfs/dbraw/zinc/59/47/13/369594713.db2.gz RMQUCXRYHUSFII-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cncn2C)C1 ZINC000352310842 369670312 /nfs/dbraw/zinc/67/03/12/369670312.db2.gz OAZBVODEGLQIJB-QLFBSQMISA-N 2 1 276.428 2.257 20 0 CEADMP COCCOc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352540580 369778569 /nfs/dbraw/zinc/77/85/69/369778569.db2.gz MZCPPOBFVLWJDI-MRXNPFEDSA-N 2 1 292.423 2.415 20 0 CEADMP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H]1CCCOC1 ZINC000352738898 369862281 /nfs/dbraw/zinc/86/22/81/369862281.db2.gz VFYIQHHLVLMXCW-RYUDHWBXSA-N 2 1 283.441 2.109 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CCCc3ccc4c(c3)CCO4)C[C@@H]2C1 ZINC000193332522 369928913 /nfs/dbraw/zinc/92/89/13/369928913.db2.gz GQDISYNOVPVXFN-CALCHBBNSA-N 2 1 286.419 2.048 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCCc3ccc4c(c3)CCO4)C[C@@H]2C1 ZINC000193332522 369928918 /nfs/dbraw/zinc/92/89/18/369928918.db2.gz GQDISYNOVPVXFN-CALCHBBNSA-N 2 1 286.419 2.048 20 0 CEADMP C([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000193969143 369996088 /nfs/dbraw/zinc/99/60/88/369996088.db2.gz LJOUVJNGBAWSDW-DRPJVOAASA-N 2 1 276.424 2.018 20 0 CEADMP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000193969179 369996554 /nfs/dbraw/zinc/99/65/54/369996554.db2.gz LJOUVJNGBAWSDW-DTZQCDIJSA-N 2 1 276.424 2.018 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCCC2)C[C@H](C)O1 ZINC000195250589 370119836 /nfs/dbraw/zinc/11/98/36/370119836.db2.gz BDYKIRHFOKRFQJ-OKILXGFUSA-N 2 1 254.418 2.408 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000353913500 370133129 /nfs/dbraw/zinc/13/31/29/370133129.db2.gz JCRZFHVCUDCMIG-YCPHGPKFSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+](C)C1CC[NH+](CC)CC1)OC ZINC000637887504 370147946 /nfs/dbraw/zinc/14/79/46/370147946.db2.gz TZCHJIZMZRINMA-ZFWWWQNUSA-N 2 1 256.434 2.464 20 0 CEADMP CC[C@H](C)[C@H](C[N@@H+](C)C1CC[NH+](CC)CC1)OC ZINC000637887504 370147947 /nfs/dbraw/zinc/14/79/47/370147947.db2.gz TZCHJIZMZRINMA-ZFWWWQNUSA-N 2 1 256.434 2.464 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCOCC1 ZINC000353970567 370158491 /nfs/dbraw/zinc/15/84/91/370158491.db2.gz FLLBUPNHAWMZQC-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCOCC1 ZINC000353970567 370158493 /nfs/dbraw/zinc/15/84/93/370158493.db2.gz FLLBUPNHAWMZQC-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CCO1 ZINC000221562366 370241773 /nfs/dbraw/zinc/24/17/73/370241773.db2.gz KVZUXVZVPTZUGP-YJNKXOJESA-N 2 1 254.418 2.120 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCO1 ZINC000221562366 370241776 /nfs/dbraw/zinc/24/17/76/370241776.db2.gz KVZUXVZVPTZUGP-YJNKXOJESA-N 2 1 254.418 2.120 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccnc2)C[C@@H]1C ZINC000354222983 370267496 /nfs/dbraw/zinc/26/74/96/370267496.db2.gz KKTCERYDSAHYSQ-HOCLYGCPSA-N 2 1 261.413 2.429 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cccnc2)C[C@H]1C ZINC000354222985 370267903 /nfs/dbraw/zinc/26/79/03/370267903.db2.gz KKTCERYDSAHYSQ-ZBFHGGJFSA-N 2 1 261.413 2.429 20 0 CEADMP CC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000638062308 370275005 /nfs/dbraw/zinc/27/50/05/370275005.db2.gz DYCCCZOTRMTZRL-CQSZACIVSA-N 2 1 291.439 2.141 20 0 CEADMP CC(C)CC[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000638066777 370276260 /nfs/dbraw/zinc/27/62/60/370276260.db2.gz LUBUFXYPAYRKLQ-HZPDHXFCSA-N 2 1 297.487 2.378 20 0 CEADMP c1ccc2c(c1)CC[C@@H](C[N@@H+]1C[C@@H]3CCC[NH2+][C@@H]3C1)C2 ZINC000638088680 370291011 /nfs/dbraw/zinc/29/10/11/370291011.db2.gz FJLKYXDOVXWFPF-FHLIZLRMSA-N 2 1 270.420 2.475 20 0 CEADMP c1ccc2c(c1)CC[C@@H](C[N@H+]1C[C@@H]3CCC[NH2+][C@@H]3C1)C2 ZINC000638088680 370291016 /nfs/dbraw/zinc/29/10/16/370291016.db2.gz FJLKYXDOVXWFPF-FHLIZLRMSA-N 2 1 270.420 2.475 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CCOCC2)C[C@H]1C ZINC000638110161 370307156 /nfs/dbraw/zinc/30/71/56/370307156.db2.gz JCHYDBOALMJBJW-HYVNUMGLSA-N 2 1 298.471 2.233 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)C2CCOCC2)C[C@H]1C ZINC000638110161 370307161 /nfs/dbraw/zinc/30/71/61/370307161.db2.gz JCHYDBOALMJBJW-HYVNUMGLSA-N 2 1 298.471 2.233 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)C2CCOCC2)C[C@H]1C ZINC000638110161 370307166 /nfs/dbraw/zinc/30/71/66/370307166.db2.gz JCHYDBOALMJBJW-HYVNUMGLSA-N 2 1 298.471 2.233 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@](C)(CC)OC)[C@@H](C)C1 ZINC000638114235 370311489 /nfs/dbraw/zinc/31/14/89/370311489.db2.gz TZCFBIWZVRGGHJ-SOUVJXGZSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@](C)(CC)OC)[C@@H](C)C1 ZINC000638114235 370311491 /nfs/dbraw/zinc/31/14/91/370311491.db2.gz TZCFBIWZVRGGHJ-SOUVJXGZSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@](C)(CC)OC)[C@@H](C)C1 ZINC000638114235 370311493 /nfs/dbraw/zinc/31/14/93/370311493.db2.gz TZCFBIWZVRGGHJ-SOUVJXGZSA-N 2 1 256.434 2.464 20 0 CEADMP Cc1nc(NCC2([NH+](C)C)CCCC2)c(C)c(C)[nH+]1 ZINC000354408065 370352210 /nfs/dbraw/zinc/35/22/10/370352210.db2.gz CGMPONRCOIETIN-UHFFFAOYSA-N 2 1 262.401 2.110 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000354433013 370361356 /nfs/dbraw/zinc/36/13/56/370361356.db2.gz METCXUBCFVUPLP-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP C1CC2(C1)C[C@@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CCO2 ZINC000227156165 370361878 /nfs/dbraw/zinc/36/18/78/370361878.db2.gz FSGYRDRKQQOHEF-KKUMJFAQSA-N 2 1 264.413 2.305 20 0 CEADMP C1CC2(C1)C[C@@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CCO2 ZINC000227156165 370361884 /nfs/dbraw/zinc/36/18/84/370361884.db2.gz FSGYRDRKQQOHEF-KKUMJFAQSA-N 2 1 264.413 2.305 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000227189973 370364127 /nfs/dbraw/zinc/36/41/27/370364127.db2.gz YHHSZRUITHUKMJ-GJZGRUSLSA-N 2 1 262.397 2.433 20 0 CEADMP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000638284136 370422448 /nfs/dbraw/zinc/42/24/48/370422448.db2.gz DMDBEOUJDOOYBY-OWCLPIDISA-N 2 1 295.471 2.224 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)C[C@H]21 ZINC000228472047 370403082 /nfs/dbraw/zinc/40/30/82/370403082.db2.gz UNNFBFVXWAGSKS-GVDBMIGSSA-N 2 1 286.419 2.223 20 0 CEADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000638327803 370447770 /nfs/dbraw/zinc/44/77/70/370447770.db2.gz CKQLRRAVRNRKLQ-HOTGVXAUSA-N 2 1 289.423 2.067 20 0 CEADMP CCOC1CC(C[NH2+]C[C@H](CC)[NH+]2CCCC2)C1 ZINC000638354835 370464742 /nfs/dbraw/zinc/46/47/42/370464742.db2.gz VOVPMGBIXOIVLH-SLTAFYQDSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@@H+](CCCCOC(C)(C)C)CCCN1CC[NH+](C)CC1 ZINC000354687439 370467681 /nfs/dbraw/zinc/46/76/81/370467681.db2.gz RJJNIJLWHKCAGH-UHFFFAOYSA-N 2 1 299.503 2.151 20 0 CEADMP CO[C@]1(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCOC1 ZINC000638365495 370475272 /nfs/dbraw/zinc/47/52/72/370475272.db2.gz FDFYMKKXSKWVCA-CVEARBPZSA-N 2 1 284.444 2.036 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000355123941 370511818 /nfs/dbraw/zinc/51/18/18/370511818.db2.gz BNOVMLMATQIMKE-KRWDZBQOSA-N 2 1 296.418 2.397 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000355123941 370511823 /nfs/dbraw/zinc/51/18/23/370511823.db2.gz BNOVMLMATQIMKE-KRWDZBQOSA-N 2 1 296.418 2.397 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC000638370523 370479924 /nfs/dbraw/zinc/47/99/24/370479924.db2.gz ZKKOSXBFQIKADU-OKZBNKHCSA-N 2 1 288.435 2.461 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC000638370523 370479927 /nfs/dbraw/zinc/47/99/27/370479927.db2.gz ZKKOSXBFQIKADU-OKZBNKHCSA-N 2 1 288.435 2.461 20 0 CEADMP Nc1c(F)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000638378581 370485615 /nfs/dbraw/zinc/48/56/15/370485615.db2.gz YUHOXQZUICCCAC-QWHCGFSZSA-N 2 1 263.360 2.124 20 0 CEADMP Nc1c(F)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000638378581 370485622 /nfs/dbraw/zinc/48/56/22/370485622.db2.gz YUHOXQZUICCCAC-QWHCGFSZSA-N 2 1 263.360 2.124 20 0 CEADMP C[C@H](C[NH2+]Cc1cccc(F)c1N)C[NH+]1CCCC1 ZINC000638384553 370489427 /nfs/dbraw/zinc/48/94/27/370489427.db2.gz CLWBUHFIKOXCQX-GFCCVEGCSA-N 2 1 265.376 2.229 20 0 CEADMP CO[C@H](C[NH2+]CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000638462985 370550676 /nfs/dbraw/zinc/55/06/76/370550676.db2.gz QDIZPIXJQXLYGS-INIZCTEOSA-N 2 1 273.380 2.039 20 0 CEADMP CCC[C@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)OC ZINC000638557665 370605011 /nfs/dbraw/zinc/60/50/11/370605011.db2.gz RQCCMBWDEWXTOI-OAHLLOKOSA-N 2 1 284.444 2.036 20 0 CEADMP CO[C@@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)CC(C)C ZINC000638560743 370605702 /nfs/dbraw/zinc/60/57/02/370605702.db2.gz XMLHDZAEEDRTOH-MRXNPFEDSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCCOc2c(F)cccc21)C1C[NH2+]C1 ZINC000335565780 296162969 /nfs/dbraw/zinc/16/29/69/296162969.db2.gz SGSLAMKVIYVKJL-YGRLFVJLSA-N 2 1 264.344 2.237 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2COc3ccccc3O2)CC[N@H+]1C ZINC000358288054 370994793 /nfs/dbraw/zinc/99/47/93/370994793.db2.gz JKITVGHZGBFHPI-QLFBSQMISA-N 2 1 290.407 2.289 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)CC[N@H+]1C ZINC000358288058 370994885 /nfs/dbraw/zinc/99/48/85/370994885.db2.gz JKITVGHZGBFHPI-RBSFLKMASA-N 2 1 290.407 2.289 20 0 CEADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000355660034 370610606 /nfs/dbraw/zinc/61/06/06/370610606.db2.gz ZJCPDWKJZOXIQS-UHFFFAOYSA-N 2 1 289.404 2.474 20 0 CEADMP CCNC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247026125 371049305 /nfs/dbraw/zinc/04/93/05/371049305.db2.gz QUDZBEKDTKBEPZ-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCNC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247026125 371049307 /nfs/dbraw/zinc/04/93/07/371049307.db2.gz QUDZBEKDTKBEPZ-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCNC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247026125 371049312 /nfs/dbraw/zinc/04/93/12/371049312.db2.gz QUDZBEKDTKBEPZ-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000639176229 371051699 /nfs/dbraw/zinc/05/16/99/371051699.db2.gz DFWSZSREMUITNM-HOTGVXAUSA-N 2 1 266.429 2.075 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000358405705 371052160 /nfs/dbraw/zinc/05/21/60/371052160.db2.gz QDCMUBOMEUDVCP-GALLPEHLSA-N 2 1 292.427 2.334 20 0 CEADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)CC2)n1 ZINC000358405705 371052165 /nfs/dbraw/zinc/05/21/65/371052165.db2.gz QDCMUBOMEUDVCP-GALLPEHLSA-N 2 1 292.427 2.334 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(n2cccn2)C1 ZINC000639165802 371039872 /nfs/dbraw/zinc/03/98/72/371039872.db2.gz SRZOSDOJNVUHCK-SLTAFYQDSA-N 2 1 262.401 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(n2cccn2)C1 ZINC000639165802 371039874 /nfs/dbraw/zinc/03/98/74/371039874.db2.gz SRZOSDOJNVUHCK-SLTAFYQDSA-N 2 1 262.401 2.051 20 0 CEADMP CO[C@@](C)(C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000639170300 371043082 /nfs/dbraw/zinc/04/30/82/371043082.db2.gz SEULEHZRUXKXLD-ZFWWWQNUSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(F)c2N)C1 ZINC000639177737 371055674 /nfs/dbraw/zinc/05/56/74/371055674.db2.gz FNZMGQWYKKVOJO-WFASDCNBSA-N 2 1 277.387 2.324 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247109588 371065963 /nfs/dbraw/zinc/06/59/63/371065963.db2.gz AAQLMPNDHXHGCZ-JONQDZQNSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247109588 371065967 /nfs/dbraw/zinc/06/59/67/371065967.db2.gz AAQLMPNDHXHGCZ-JONQDZQNSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247109588 371065969 /nfs/dbraw/zinc/06/59/69/371065969.db2.gz AAQLMPNDHXHGCZ-JONQDZQNSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247109588 371065973 /nfs/dbraw/zinc/06/59/73/371065973.db2.gz AAQLMPNDHXHGCZ-JONQDZQNSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2cccnc2-n2cccn2)[C@@H](C)C1 ZINC000247136817 371069538 /nfs/dbraw/zinc/06/95/38/371069538.db2.gz SACJQIXDTKWVJU-HOCLYGCPSA-N 2 1 299.422 2.087 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2-n2cccn2)[C@@H](C)C1 ZINC000247136817 371069550 /nfs/dbraw/zinc/06/95/50/371069550.db2.gz SACJQIXDTKWVJU-HOCLYGCPSA-N 2 1 299.422 2.087 20 0 CEADMP c1nc2c([nH]1)CC[C@H]([NH2+]Cc1nc3ccccc3o1)C2 ZINC000639192010 371072689 /nfs/dbraw/zinc/07/26/89/371072689.db2.gz NQYDHEINEBZUBA-JTQLQIEISA-N 2 1 268.320 2.198 20 0 CEADMP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247208555 371076724 /nfs/dbraw/zinc/07/67/24/371076724.db2.gz VOLWQVYUJCYSLA-UONOGXRCSA-N 2 1 256.434 2.248 20 0 CEADMP CC[C@H](C)[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)OC ZINC000639205426 371092496 /nfs/dbraw/zinc/09/24/96/371092496.db2.gz ZCOVUDVWLAIGIG-RRFJBIMHSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@H](C)[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000639205426 371092502 /nfs/dbraw/zinc/09/25/02/371092502.db2.gz ZCOVUDVWLAIGIG-RRFJBIMHSA-N 2 1 254.418 2.075 20 0 CEADMP CC[C@H](C)[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000639205426 371092504 /nfs/dbraw/zinc/09/25/04/371092504.db2.gz ZCOVUDVWLAIGIG-RRFJBIMHSA-N 2 1 254.418 2.075 20 0 CEADMP O=C(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccccc1 ZINC000358516121 371100038 /nfs/dbraw/zinc/10/00/38/371100038.db2.gz NYTXLCFSWIKUTL-UHFFFAOYSA-N 2 1 287.407 2.091 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2)[C@@H](C)C1 ZINC000248030154 371155228 /nfs/dbraw/zinc/15/52/28/371155228.db2.gz QDIDULVWCOEHIP-HOCLYGCPSA-N 2 1 262.397 2.385 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)[C@]12CCCO2 ZINC000639257536 371157942 /nfs/dbraw/zinc/15/79/42/371157942.db2.gz OUBOGKCXZRCIGE-MWDXBVQZSA-N 2 1 296.455 2.035 20 0 CEADMP CCOC(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)OCC ZINC000248597154 371219315 /nfs/dbraw/zinc/21/93/15/371219315.db2.gz AROSGALKUHIMKI-HOCLYGCPSA-N 2 1 296.455 2.334 20 0 CEADMP CCOC(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)OCC ZINC000248597154 371219319 /nfs/dbraw/zinc/21/93/19/371219319.db2.gz AROSGALKUHIMKI-HOCLYGCPSA-N 2 1 296.455 2.334 20 0 CEADMP CCOC(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)OCC ZINC000248597154 371219323 /nfs/dbraw/zinc/21/93/23/371219323.db2.gz AROSGALKUHIMKI-HOCLYGCPSA-N 2 1 296.455 2.334 20 0 CEADMP OCCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248655960 371232138 /nfs/dbraw/zinc/23/21/38/371232138.db2.gz CEVDKSRVUIVCOU-FGTMMUONSA-N 2 1 288.435 2.259 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1O ZINC000248777850 371244792 /nfs/dbraw/zinc/24/47/92/371244792.db2.gz UZKDBCZOXMPCMK-KGLIPLIRSA-N 2 1 276.380 2.117 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1O ZINC000248777850 371244796 /nfs/dbraw/zinc/24/47/96/371244796.db2.gz UZKDBCZOXMPCMK-KGLIPLIRSA-N 2 1 276.380 2.117 20 0 CEADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CC1 ZINC000639338756 371250386 /nfs/dbraw/zinc/25/03/86/371250386.db2.gz VQCKNCQDQWGAHS-GDBMZVCRSA-N 2 1 266.429 2.123 20 0 CEADMP C1=CO[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000249060181 371289153 /nfs/dbraw/zinc/28/91/53/371289153.db2.gz ZRVGMFYXDXFZKD-JKSUJKDBSA-N 2 1 264.413 2.487 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CCCc2nn(C)cc21)C[NH+]1CCCC1 ZINC000358931917 371271252 /nfs/dbraw/zinc/27/12/52/371271252.db2.gz JNECOIPVIFKGLD-DZGCQCFKSA-N 2 1 276.428 2.119 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CCCc2nn(C)cc21)C[NH+]1CCCC1 ZINC000358931920 371271282 /nfs/dbraw/zinc/27/12/82/371271282.db2.gz JNECOIPVIFKGLD-ZFWWWQNUSA-N 2 1 276.428 2.119 20 0 CEADMP Cc1nc(-c2ccccc2)oc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000639457519 371335893 /nfs/dbraw/zinc/33/58/93/371335893.db2.gz ULTHRFPCDXTUMJ-HUUCEWRRSA-N 2 1 283.375 2.301 20 0 CEADMP C[C@H]1CCC[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639502954 371367325 /nfs/dbraw/zinc/36/73/25/371367325.db2.gz HXNQCPVSNMNMIX-DOTOQJQBSA-N 2 1 274.408 2.108 20 0 CEADMP C[C@H]1CCC[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639502954 371367331 /nfs/dbraw/zinc/36/73/31/371367331.db2.gz HXNQCPVSNMNMIX-DOTOQJQBSA-N 2 1 274.408 2.108 20 0 CEADMP C[C@H]1CCC[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639502954 371367334 /nfs/dbraw/zinc/36/73/34/371367334.db2.gz HXNQCPVSNMNMIX-DOTOQJQBSA-N 2 1 274.408 2.108 20 0 CEADMP C[C@H]1CCC[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639502954 371367338 /nfs/dbraw/zinc/36/73/38/371367338.db2.gz HXNQCPVSNMNMIX-DOTOQJQBSA-N 2 1 274.408 2.108 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1(C)C ZINC000250564411 371386731 /nfs/dbraw/zinc/38/67/31/371386731.db2.gz USJLCNPNMHCHNC-ZOBORPQBSA-N 2 1 254.418 2.262 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1(C)C ZINC000250564411 371386733 /nfs/dbraw/zinc/38/67/33/371386733.db2.gz USJLCNPNMHCHNC-ZOBORPQBSA-N 2 1 254.418 2.262 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCO[C@@H]2C)[C@H](C)C1 ZINC000639535072 371390244 /nfs/dbraw/zinc/39/02/44/371390244.db2.gz ZHHHBHQNVDUHEI-KBXIAJHMSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCO[C@@H]2C)[C@H](C)C1 ZINC000639535072 371390246 /nfs/dbraw/zinc/39/02/46/371390246.db2.gz ZHHHBHQNVDUHEI-KBXIAJHMSA-N 2 1 254.418 2.074 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCO[C@@H]2C)[C@H](C)C1 ZINC000639535072 371390248 /nfs/dbraw/zinc/39/02/48/371390248.db2.gz ZHHHBHQNVDUHEI-KBXIAJHMSA-N 2 1 254.418 2.074 20 0 CEADMP c1ccc2c(c1)OC[C@@H]2C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250835481 371392600 /nfs/dbraw/zinc/39/26/00/371392600.db2.gz ACGZMHOXLIMWCC-KKUMJFAQSA-N 2 1 272.392 2.379 20 0 CEADMP O=c1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc[nH]1 ZINC000639543393 371394504 /nfs/dbraw/zinc/39/45/04/371394504.db2.gz FRBIAPUVTJIPQR-GDBMZVCRSA-N 2 1 287.407 2.236 20 0 CEADMP C(COC1CCCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251426782 371401501 /nfs/dbraw/zinc/40/15/01/371401501.db2.gz SXUPSFHCTWJWJW-KGLIPLIRSA-N 2 1 252.402 2.162 20 0 CEADMP C(COC1CCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251426777 371401635 /nfs/dbraw/zinc/40/16/35/371401635.db2.gz SXUPSFHCTWJWJW-KBPBESRZSA-N 2 1 252.402 2.162 20 0 CEADMP Cc1nc(C[C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)no1 ZINC000359196930 371372678 /nfs/dbraw/zinc/37/26/78/371372678.db2.gz AFJJRMLCNJDQMH-OAHLLOKOSA-N 2 1 292.427 2.022 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639511625 371374677 /nfs/dbraw/zinc/37/46/77/371374677.db2.gz QJOIRFLUELTQEI-ZIAGYGMSSA-N 2 1 254.418 2.075 20 0 CEADMP CCOC[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359213879 371377808 /nfs/dbraw/zinc/37/78/08/371377808.db2.gz GYCZWPFAGUXBCK-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP Cc1csc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000252857376 371483553 /nfs/dbraw/zinc/48/35/53/371483553.db2.gz LHNPTQYPRKKJIE-SRVKXCTJSA-N 2 1 251.399 2.011 20 0 CEADMP Cc1csc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000252857376 371483559 /nfs/dbraw/zinc/48/35/59/371483559.db2.gz LHNPTQYPRKKJIE-SRVKXCTJSA-N 2 1 251.399 2.011 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252864997 371484341 /nfs/dbraw/zinc/48/43/41/371484341.db2.gz PNWKMPDHCGRGIS-JYJNAYRXSA-N 2 1 288.391 2.032 20 0 CEADMP C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000251892652 371422394 /nfs/dbraw/zinc/42/23/94/371422394.db2.gz VRXXSDHYXWAYLZ-SMDDNHRTSA-N 2 1 268.788 2.388 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000639584645 371423785 /nfs/dbraw/zinc/42/37/85/371423785.db2.gz UDCVBCONOGBVNC-OAHLLOKOSA-N 2 1 256.353 2.099 20 0 CEADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000252513264 371452071 /nfs/dbraw/zinc/45/20/71/371452071.db2.gz PCCYNQCYUDIZPC-QXSJWSMHSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000252513264 371452074 /nfs/dbraw/zinc/45/20/74/371452074.db2.gz PCCYNQCYUDIZPC-QXSJWSMHSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000252560788 371457083 /nfs/dbraw/zinc/45/70/83/371457083.db2.gz VZRQQZXVRKWSRZ-JKJDWNRSSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000252560788 371457092 /nfs/dbraw/zinc/45/70/92/371457092.db2.gz VZRQQZXVRKWSRZ-JKJDWNRSSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1ccc(C)c(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252667316 371465015 /nfs/dbraw/zinc/46/50/15/371465015.db2.gz IPPHAUBXAZVALG-IRXDYDNUSA-N 2 1 274.408 2.256 20 0 CEADMP Cc1ccc(C)c(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252667316 371465021 /nfs/dbraw/zinc/46/50/21/371465021.db2.gz IPPHAUBXAZVALG-IRXDYDNUSA-N 2 1 274.408 2.256 20 0 CEADMP CC(C)(C)n1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000252672523 371466550 /nfs/dbraw/zinc/46/65/50/371466550.db2.gz BAQBGGPMKFPYOR-GJZGRUSLSA-N 2 1 276.428 2.355 20 0 CEADMP CC(C)(C)n1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000252672523 371466552 /nfs/dbraw/zinc/46/65/52/371466552.db2.gz BAQBGGPMKFPYOR-GJZGRUSLSA-N 2 1 276.428 2.355 20 0 CEADMP CC(C)(C)n1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000252672523 371466557 /nfs/dbraw/zinc/46/65/57/371466557.db2.gz BAQBGGPMKFPYOR-GJZGRUSLSA-N 2 1 276.428 2.355 20 0 CEADMP Cc1cc[nH+]c(N2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC000359556458 371469220 /nfs/dbraw/zinc/46/92/20/371469220.db2.gz DTOFCJCSFJBDIR-UHFFFAOYSA-N 2 1 268.364 2.420 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000252711803 371473031 /nfs/dbraw/zinc/47/30/31/371473031.db2.gz KQIHPCRMIDDOQR-UKRRQHHQSA-N 2 1 290.407 2.278 20 0 CEADMP c1cc(N2CCC[N@H+](C[C@H]3CCCCO3)CC2)cc[nH+]1 ZINC000639681294 371491696 /nfs/dbraw/zinc/49/16/96/371491696.db2.gz JGQATICCYMOCKZ-MRXNPFEDSA-N 2 1 275.396 2.163 20 0 CEADMP c1ncc(CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)s1 ZINC000639682916 371491713 /nfs/dbraw/zinc/49/17/13/371491713.db2.gz DOHFPWAQMWBENM-UHFFFAOYSA-N 2 1 288.420 2.293 20 0 CEADMP c1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1 ZINC000639682679 371491843 /nfs/dbraw/zinc/49/18/43/371491843.db2.gz IUYANKIGVIIBMD-UHFFFAOYSA-N 2 1 268.364 2.189 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000360854148 371537175 /nfs/dbraw/zinc/53/71/75/371537175.db2.gz BZERHTLUWCYAFM-OAGGEKHMSA-N 2 1 267.461 2.037 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760859 371549044 /nfs/dbraw/zinc/54/90/44/371549044.db2.gz BTPVLAAISKZHEO-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP Cc1nc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c(C)o1 ZINC000639683985 371493783 /nfs/dbraw/zinc/49/37/83/371493783.db2.gz PPBRKLKRDGODGB-UHFFFAOYSA-N 2 1 286.379 2.399 20 0 CEADMP Cc1nc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(C)o1 ZINC000639683985 371493786 /nfs/dbraw/zinc/49/37/86/371493786.db2.gz PPBRKLKRDGODGB-UHFFFAOYSA-N 2 1 286.379 2.399 20 0 CEADMP FC(F)(F)CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000360973874 371574112 /nfs/dbraw/zinc/57/41/12/371574112.db2.gz WCQPHUITXNLZDB-WOPDTQHZSA-N 2 1 262.319 2.355 20 0 CEADMP FC(F)(F)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000360973874 371574120 /nfs/dbraw/zinc/57/41/20/371574120.db2.gz WCQPHUITXNLZDB-WOPDTQHZSA-N 2 1 262.319 2.355 20 0 CEADMP FC(F)(F)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360973874 371574128 /nfs/dbraw/zinc/57/41/28/371574128.db2.gz WCQPHUITXNLZDB-WOPDTQHZSA-N 2 1 262.319 2.355 20 0 CEADMP FC(F)(F)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360973874 371574136 /nfs/dbraw/zinc/57/41/36/371574136.db2.gz WCQPHUITXNLZDB-WOPDTQHZSA-N 2 1 262.319 2.355 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(Br)cc1 ZINC000258705492 371618077 /nfs/dbraw/zinc/61/80/77/371618077.db2.gz CGSBOXHTIDTIDG-UHFFFAOYSA-N 2 1 257.175 2.276 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000258815653 371618757 /nfs/dbraw/zinc/61/87/57/371618757.db2.gz CSTJSVMRMFDWLJ-NEPJUHHUSA-N 2 1 269.186 2.419 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN[C@@](C)(CC)c1ccc(F)cc1 ZINC000639930195 371680483 /nfs/dbraw/zinc/68/04/83/371680483.db2.gz ZTTJREDXOGHYCY-HOTGVXAUSA-N 2 1 282.403 2.353 20 0 CEADMP CCN(C)C[C@@H](O)C[NH2+][C@@](C)(CC)c1ccc(F)cc1 ZINC000639930195 371680486 /nfs/dbraw/zinc/68/04/86/371680486.db2.gz ZTTJREDXOGHYCY-HOTGVXAUSA-N 2 1 282.403 2.353 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CC)c1ccc(F)cc1 ZINC000639930195 371680487 /nfs/dbraw/zinc/68/04/87/371680487.db2.gz ZTTJREDXOGHYCY-HOTGVXAUSA-N 2 1 282.403 2.353 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CC)c1ccc(F)cc1 ZINC000639930195 371680490 /nfs/dbraw/zinc/68/04/90/371680490.db2.gz ZTTJREDXOGHYCY-HOTGVXAUSA-N 2 1 282.403 2.353 20 0 CEADMP CCn1nc(C)c(CN(C)CC[C@@H]2CCC[N@H+]2C)c1C ZINC000639923422 371670255 /nfs/dbraw/zinc/67/02/55/371670255.db2.gz QILWXZMOSARGHK-HNNXBMFYSA-N 2 1 278.444 2.436 20 0 CEADMP C[N@@H+](CCOCc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000261540073 371639860 /nfs/dbraw/zinc/63/98/60/371639860.db2.gz DRTYGFIFFHZQQU-MRXNPFEDSA-N 2 1 262.397 2.135 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)s1 ZINC000261551004 371643907 /nfs/dbraw/zinc/64/39/07/371643907.db2.gz LSPOQFZFCJAXBW-TZMCWYRMSA-N 2 1 250.411 2.406 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)cn1 ZINC000261717637 371710979 /nfs/dbraw/zinc/71/09/79/371710979.db2.gz PSBUQKKFVXZVBR-WBVHZDCISA-N 2 1 282.391 2.056 20 0 CEADMP CCOCC[C@@H](O)C[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639985964 371714546 /nfs/dbraw/zinc/71/45/46/371714546.db2.gz GLHBXJVEOSKYCX-MRXNPFEDSA-N 2 1 298.471 2.114 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000640015770 371734876 /nfs/dbraw/zinc/73/48/76/371734876.db2.gz NAXOONVBWLBPPA-UHFFFAOYSA-N 2 1 263.385 2.093 20 0 CEADMP COc1cccc([C@H](C)[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261647574 371690241 /nfs/dbraw/zinc/69/02/41/371690241.db2.gz XSJOOPPIZYDWLC-BJJXKVORSA-N 2 1 260.381 2.440 20 0 CEADMP COc1cccc([C@H](C)[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261647574 371690247 /nfs/dbraw/zinc/69/02/47/371690247.db2.gz XSJOOPPIZYDWLC-BJJXKVORSA-N 2 1 260.381 2.440 20 0 CEADMP Fc1cc2cccnc2c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261653581 371694453 /nfs/dbraw/zinc/69/44/53/371694453.db2.gz JZKYLQNJTGVPNC-DZGCQCFKSA-N 2 1 285.366 2.415 20 0 CEADMP Fc1cc2cccnc2c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261653581 371694456 /nfs/dbraw/zinc/69/44/56/371694456.db2.gz JZKYLQNJTGVPNC-DZGCQCFKSA-N 2 1 285.366 2.415 20 0 CEADMP CCOc1ccc2c(c1)CC[N@@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000261688480 371701017 /nfs/dbraw/zinc/70/10/17/371701017.db2.gz ASAYLHKQFSPAJY-QGZVFWFLSA-N 2 1 274.408 2.443 20 0 CEADMP CCOc1ccc2c(c1)CC[N@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000261688480 371701023 /nfs/dbraw/zinc/70/10/23/371701023.db2.gz ASAYLHKQFSPAJY-QGZVFWFLSA-N 2 1 274.408 2.443 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000261825238 371744362 /nfs/dbraw/zinc/74/43/62/371744362.db2.gz IPZZHCOMZDAQBS-OAHLLOKOSA-N 2 1 262.397 2.435 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000261825238 371744365 /nfs/dbraw/zinc/74/43/65/371744365.db2.gz IPZZHCOMZDAQBS-OAHLLOKOSA-N 2 1 262.397 2.435 20 0 CEADMP c1cnc2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2c1 ZINC000261869065 371755204 /nfs/dbraw/zinc/75/52/04/371755204.db2.gz YVTAKWKQWCJUIN-KRWDZBQOSA-N 2 1 267.376 2.420 20 0 CEADMP Cc1ccccc1OCC[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261891514 371762830 /nfs/dbraw/zinc/76/28/30/371762830.db2.gz TYQISGZEFWZTFU-MRXNPFEDSA-N 2 1 262.397 2.305 20 0 CEADMP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000261971771 371785849 /nfs/dbraw/zinc/78/58/49/371785849.db2.gz QHQMRUNRPXMJKF-AWEZNQCLSA-N 2 1 276.428 2.097 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000261971771 371785852 /nfs/dbraw/zinc/78/58/52/371785852.db2.gz QHQMRUNRPXMJKF-AWEZNQCLSA-N 2 1 276.428 2.097 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccnn3-c3ccccc3)C[C@H]21 ZINC000261975181 371787895 /nfs/dbraw/zinc/78/78/95/371787895.db2.gz QSICHJJMMNMXIE-BMGDILEWSA-N 2 1 296.418 2.432 20 0 CEADMP c1ccc2nc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)ccc2c1 ZINC000261816212 371742476 /nfs/dbraw/zinc/74/24/76/371742476.db2.gz SVQWGOYJTKZJJG-GOEBONIOSA-N 2 1 267.376 2.419 20 0 CEADMP c1ccc2nc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)ccc2c1 ZINC000261816212 371742479 /nfs/dbraw/zinc/74/24/79/371742479.db2.gz SVQWGOYJTKZJJG-GOEBONIOSA-N 2 1 267.376 2.419 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000261998082 371795638 /nfs/dbraw/zinc/79/56/38/371795638.db2.gz TVBBLCHSTRHLPI-ZFWWWQNUSA-N 2 1 276.428 2.097 20 0 CEADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000361346851 371798249 /nfs/dbraw/zinc/79/82/49/371798249.db2.gz RCEJHGJPYDQHMC-LSDHHAIUSA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@H](C)C[N@@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000361347555 371798398 /nfs/dbraw/zinc/79/83/98/371798398.db2.gz WBIVTBKWKRVNOM-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262020286 371800875 /nfs/dbraw/zinc/80/08/75/371800875.db2.gz WBRCUSBCIUGMIN-UONOGXRCSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000262020286 371800882 /nfs/dbraw/zinc/80/08/82/371800882.db2.gz WBRCUSBCIUGMIN-UONOGXRCSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1)c1nccs1 ZINC000262041074 371807977 /nfs/dbraw/zinc/80/79/77/371807977.db2.gz PCUPPYBPFOOWOM-AAEUAGOBSA-N 2 1 253.415 2.178 20 0 CEADMP COc1ccccc1[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262071299 371817264 /nfs/dbraw/zinc/81/72/64/371817264.db2.gz SDNUHMLXHUMCPL-YOEHRIQHSA-N 2 1 274.408 2.484 20 0 CEADMP CCc1nc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000262201710 371837439 /nfs/dbraw/zinc/83/74/39/371837439.db2.gz KMAOQCWTVSKDQD-JQWIXIFHSA-N 2 1 253.415 2.313 20 0 CEADMP CC[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@@]2(CCOC2)O1 ZINC000361509794 371887482 /nfs/dbraw/zinc/88/74/82/371887482.db2.gz XAMFMKIBXFHJBU-BRWVUGGUSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@@]2(CCOC2)O1 ZINC000361509794 371887485 /nfs/dbraw/zinc/88/74/85/371887485.db2.gz XAMFMKIBXFHJBU-BRWVUGGUSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@@]2(CCOC2)O1 ZINC000361509794 371887488 /nfs/dbraw/zinc/88/74/88/371887488.db2.gz XAMFMKIBXFHJBU-BRWVUGGUSA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@@]2(CCOC2)O1 ZINC000361509794 371887490 /nfs/dbraw/zinc/88/74/90/371887490.db2.gz XAMFMKIBXFHJBU-BRWVUGGUSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH2+]CCCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000263254709 371932577 /nfs/dbraw/zinc/93/25/77/371932577.db2.gz KPXOUJZNCUMKFB-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CCOC1 ZINC000640530739 372022425 /nfs/dbraw/zinc/02/24/25/372022425.db2.gz HPQAMNRZOARQQJ-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP CN1CCC[C@@H]1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533123 372024098 /nfs/dbraw/zinc/02/40/98/372024098.db2.gz CWZAQOMPQQBAMC-MRXNPFEDSA-N 2 1 267.461 2.279 20 0 CEADMP CN(CCCC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+]1C ZINC000640533123 372024104 /nfs/dbraw/zinc/02/41/04/372024104.db2.gz CWZAQOMPQQBAMC-MRXNPFEDSA-N 2 1 267.461 2.279 20 0 CEADMP CN(CCCC[NH+]1CCCCC1)C[C@H]1CCC[N@H+]1C ZINC000640533123 372024106 /nfs/dbraw/zinc/02/41/06/372024106.db2.gz CWZAQOMPQQBAMC-MRXNPFEDSA-N 2 1 267.461 2.279 20 0 CEADMP CC[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[NH+](CC)CC ZINC000361708166 372033327 /nfs/dbraw/zinc/03/33/27/372033327.db2.gz XUNDEPXZYQRODF-ARFHVFGLSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268805361 372230261 /nfs/dbraw/zinc/23/02/61/372230261.db2.gz CGYFRLRFCKKMIU-YQQAZPJKSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268805361 372230266 /nfs/dbraw/zinc/23/02/66/372230266.db2.gz CGYFRLRFCKKMIU-YQQAZPJKSA-N 2 1 276.424 2.258 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1C ZINC000362178928 372258181 /nfs/dbraw/zinc/25/81/81/372258181.db2.gz DIXOWCKZOOWTAG-PMPSAXMXSA-N 2 1 295.471 2.050 20 0 CEADMP CN(C)c1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc[nH+]1 ZINC000269260060 372398163 /nfs/dbraw/zinc/39/81/63/372398163.db2.gz MDWYVXSVYNXNBK-BNOWGMLFSA-N 2 1 288.395 2.007 20 0 CEADMP COCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000362655626 372474672 /nfs/dbraw/zinc/47/46/72/372474672.db2.gz OKTVUJOXFKBREZ-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP COCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000362655626 372474675 /nfs/dbraw/zinc/47/46/75/372474675.db2.gz OKTVUJOXFKBREZ-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP COCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000362655626 372474677 /nfs/dbraw/zinc/47/46/77/372474677.db2.gz OKTVUJOXFKBREZ-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP COCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000362655626 372474680 /nfs/dbraw/zinc/47/46/80/372474680.db2.gz OKTVUJOXFKBREZ-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)c1ccccc1C[NH+](C)C ZINC000362852236 372547066 /nfs/dbraw/zinc/54/70/66/372547066.db2.gz AOWAVERCYXUSQA-UHFFFAOYSA-N 2 1 291.439 2.210 20 0 CEADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCC2 ZINC000269955424 372613400 /nfs/dbraw/zinc/61/34/00/372613400.db2.gz KGPHZETUSBPMND-AEFFLSMTSA-N 2 1 288.435 2.419 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC000363460112 372638247 /nfs/dbraw/zinc/63/82/47/372638247.db2.gz WZNVANGIUUHBLV-MRXNPFEDSA-N 2 1 266.429 2.077 20 0 CEADMP CO[C@@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000363686187 372645431 /nfs/dbraw/zinc/64/54/31/372645431.db2.gz DFYDWCMJCBQSJS-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[C@@H](Cn1cncn1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000353391539 220060065 /nfs/dbraw/zinc/06/00/65/220060065.db2.gz XNDNIUJYIOMREG-HOTGVXAUSA-N 2 1 293.459 2.301 20 0 CEADMP CCc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000641799293 372739627 /nfs/dbraw/zinc/73/96/27/372739627.db2.gz SNUJDIWRFWNXBG-YNEHKIRRSA-N 2 1 263.385 2.105 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)o1 ZINC000641799576 372739661 /nfs/dbraw/zinc/73/96/61/372739661.db2.gz XMFGTKPMKVSLOE-ZYHUDNBSSA-N 2 1 251.374 2.105 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000641799332 372739741 /nfs/dbraw/zinc/73/97/41/372739741.db2.gz UXWZPEHOMANCJT-KOLCDFICSA-N 2 1 284.306 2.177 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c(F)c1 ZINC000641803070 372747386 /nfs/dbraw/zinc/74/73/86/372747386.db2.gz CVVDETIWMYXNMX-LEWSCRJBSA-N 2 1 293.386 2.177 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)C[N@H+](C)C(C)C)c1 ZINC000270387246 372765211 /nfs/dbraw/zinc/76/52/11/372765211.db2.gz QDJVAQSIUGOYQG-UHFFFAOYSA-N 2 1 277.412 2.335 20 0 CEADMP CCc1cccc(C)c1NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641804788 372750705 /nfs/dbraw/zinc/75/07/05/372750705.db2.gz JTTSXZAAHMWCOL-KBPBESRZSA-N 2 1 289.423 2.211 20 0 CEADMP CSc1ccc(NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641807859 372755252 /nfs/dbraw/zinc/75/52/52/372755252.db2.gz SJFSPYAUASLYES-OLZOCXBDSA-N 2 1 293.436 2.062 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccccc1Cl ZINC000641808290 372756402 /nfs/dbraw/zinc/75/64/02/372756402.db2.gz UIPYOYCBSVGAKL-XDTLVQLUSA-N 2 1 295.814 2.382 20 0 CEADMP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000641796780 372736168 /nfs/dbraw/zinc/73/61/68/372736168.db2.gz KLVJJUQSOUJDII-CYBMUJFWSA-N 2 1 271.364 2.431 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000641797049 372736643 /nfs/dbraw/zinc/73/66/43/372736643.db2.gz QYEBZWSNODPQJH-DGCLKSJQSA-N 2 1 265.401 2.495 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000641797049 372736646 /nfs/dbraw/zinc/73/66/46/372736646.db2.gz QYEBZWSNODPQJH-DGCLKSJQSA-N 2 1 265.401 2.495 20 0 CEADMP COc1ccc([C@H](CO)[N@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000270438659 372790986 /nfs/dbraw/zinc/79/09/86/372790986.db2.gz KOKQQXRCUFGKLX-RDJZCZTQSA-N 2 1 292.423 2.145 20 0 CEADMP COc1ccc([C@H](CO)[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000270438659 372790991 /nfs/dbraw/zinc/79/09/91/372790991.db2.gz KOKQQXRCUFGKLX-RDJZCZTQSA-N 2 1 292.423 2.145 20 0 CEADMP COc1ccc([C@H](CO)[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000270438659 372790998 /nfs/dbraw/zinc/79/09/98/372790998.db2.gz KOKQQXRCUFGKLX-RDJZCZTQSA-N 2 1 292.423 2.145 20 0 CEADMP COc1ccc([C@H](CO)[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000270438659 372791002 /nfs/dbraw/zinc/79/10/02/372791002.db2.gz KOKQQXRCUFGKLX-RDJZCZTQSA-N 2 1 292.423 2.145 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])o1 ZINC000641821677 372766980 /nfs/dbraw/zinc/76/69/80/372766980.db2.gz OJENAFTZPMFEON-AAEUAGOBSA-N 2 1 265.401 2.495 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])o1 ZINC000641822970 372767496 /nfs/dbraw/zinc/76/74/96/372767496.db2.gz OJENAFTZPMFEON-YPMHNXCESA-N 2 1 265.401 2.495 20 0 CEADMP Cc1cn2c(n1)[C@@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCC2 ZINC000365740819 372923695 /nfs/dbraw/zinc/92/36/95/372923695.db2.gz YCVUQSWHALIUSL-WZYMTQMTSA-N 3 1 288.439 2.284 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000270689787 372902544 /nfs/dbraw/zinc/90/25/44/372902544.db2.gz VZGDPUFUCQPMHG-UHFFFAOYSA-N 2 1 287.411 2.195 20 0 CEADMP Cc1c[nH]nc1C[N@H+](C)C1CCN(c2ccccn2)CC1 ZINC000365613179 372902746 /nfs/dbraw/zinc/90/27/46/372902746.db2.gz APWPKLICUZMLHQ-UHFFFAOYSA-N 2 1 285.395 2.214 20 0 CEADMP Cc1c[nH]nc1CN(C)C1CCN(c2ccccn2)CC1 ZINC000365613179 372902751 /nfs/dbraw/zinc/90/27/51/372902751.db2.gz APWPKLICUZMLHQ-UHFFFAOYSA-N 2 1 285.395 2.214 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000353494981 220118579 /nfs/dbraw/zinc/11/85/79/220118579.db2.gz ZESIWFRAJVBUDD-JYJNAYRXSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353494981 220118582 /nfs/dbraw/zinc/11/85/82/220118582.db2.gz ZESIWFRAJVBUDD-JYJNAYRXSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353494981 220118583 /nfs/dbraw/zinc/11/85/83/220118583.db2.gz ZESIWFRAJVBUDD-JYJNAYRXSA-N 2 1 267.461 2.323 20 0 CEADMP c1cc2c(s1)CCC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000643057882 372938296 /nfs/dbraw/zinc/93/82/96/372938296.db2.gz USBYYYYDMXVWSJ-GFCCVEGCSA-N 2 1 250.411 2.496 20 0 CEADMP CCc1nc([C@H]2CCCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)no1 ZINC000643057580 372939165 /nfs/dbraw/zinc/93/91/65/372939165.db2.gz VFYPGLJNENFCMV-QWHCGFSZSA-N 2 1 278.400 2.159 20 0 CEADMP CCc1nc([C@H]2CCCC[N@H+]2CC[C@@H]2CC[NH2+]C2)no1 ZINC000643057580 372939167 /nfs/dbraw/zinc/93/91/67/372939167.db2.gz VFYPGLJNENFCMV-QWHCGFSZSA-N 2 1 278.400 2.159 20 0 CEADMP Cc1ccc([C@H]2COCCN2CCn2cc[nH+]c2C)o1 ZINC000270886485 372998746 /nfs/dbraw/zinc/99/87/46/372998746.db2.gz OFZPIACTSUEYPG-CQSZACIVSA-N 2 1 275.352 2.166 20 0 CEADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(O)CC2)C1 ZINC000353523464 220134063 /nfs/dbraw/zinc/13/40/63/220134063.db2.gz ULUCGEMNPGNLEV-NFOMZHRRSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(O)CC2)C1 ZINC000353523464 220134066 /nfs/dbraw/zinc/13/40/66/220134066.db2.gz ULUCGEMNPGNLEV-NFOMZHRRSA-N 2 1 268.445 2.390 20 0 CEADMP Fc1ccc2c(c1)[C@H](NC[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CC2 ZINC000366232580 373011827 /nfs/dbraw/zinc/01/18/27/373011827.db2.gz HWEXVZOVZFXUSS-BFYDXBDKSA-N 2 1 290.382 2.266 20 0 CEADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CN3CCC[C@@H]3CO1)CC2 ZINC000366232580 373011834 /nfs/dbraw/zinc/01/18/34/373011834.db2.gz HWEXVZOVZFXUSS-BFYDXBDKSA-N 2 1 290.382 2.266 20 0 CEADMP Fc1ccc2c(c1)[C@H](NC[C@@H]1C[N@H+]3CCC[C@H]3CO1)CC2 ZINC000366232583 373010939 /nfs/dbraw/zinc/01/09/39/373010939.db2.gz HWEXVZOVZFXUSS-ZMSDIMECSA-N 2 1 290.382 2.266 20 0 CEADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CN3CCC[C@H]3CO1)CC2 ZINC000366232583 373010945 /nfs/dbraw/zinc/01/09/45/373010945.db2.gz HWEXVZOVZFXUSS-ZMSDIMECSA-N 2 1 290.382 2.266 20 0 CEADMP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000366349871 373027889 /nfs/dbraw/zinc/02/78/89/373027889.db2.gz XTOFLAXOGYFGNR-DZGCQCFKSA-N 2 1 295.471 2.273 20 0 CEADMP OCC[NH+]1CCC([NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000643288690 373018902 /nfs/dbraw/zinc/01/89/02/373018902.db2.gz SPIQUPYFBOYZRZ-UHFFFAOYSA-N 2 1 274.408 2.110 20 0 CEADMP CO[C@@]1(C)CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000366459731 373057052 /nfs/dbraw/zinc/05/70/52/373057052.db2.gz MOYYZUCDJKTXPQ-HNNXBMFYSA-N 2 1 254.418 2.363 20 0 CEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)C1CC[NH+](C)CC1 ZINC000643511285 373171803 /nfs/dbraw/zinc/17/18/03/373171803.db2.gz PGVNBXDYEIMWQS-CJNGLKHVSA-N 3 1 267.461 2.214 20 0 CEADMP c1[nH]nc2cc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)ccc12 ZINC000367467726 373158965 /nfs/dbraw/zinc/15/89/65/373158965.db2.gz UXCWDDAQVGCUJP-JFIYKMOQSA-N 2 1 296.418 2.479 20 0 CEADMP c1[nH]nc2cc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)ccc12 ZINC000367467726 373158974 /nfs/dbraw/zinc/15/89/74/373158974.db2.gz UXCWDDAQVGCUJP-JFIYKMOQSA-N 2 1 296.418 2.479 20 0 CEADMP c1[nH]nc2cc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)ccc12 ZINC000367467726 373158981 /nfs/dbraw/zinc/15/89/81/373158981.db2.gz UXCWDDAQVGCUJP-JFIYKMOQSA-N 2 1 296.418 2.479 20 0 CEADMP Fc1ccc(N2CCC([NH2+]CC[NH2+]C3CC3)CC2)c(F)c1 ZINC000643506451 373166560 /nfs/dbraw/zinc/16/65/60/373166560.db2.gz XKJGRQASIUAHNG-UHFFFAOYSA-N 2 1 295.377 2.275 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000367617279 373166840 /nfs/dbraw/zinc/16/68/40/373166840.db2.gz QFWKEHSODNWEMH-RRFJBIMHSA-N 2 1 275.396 2.053 20 0 CEADMP C[C@@H]1C[C@H](NCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000643506859 373166798 /nfs/dbraw/zinc/16/67/98/373166798.db2.gz KNKSXAWSZXRFLW-CRAIPNDOSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1c[nH+]ccc1N ZINC000643453735 373123875 /nfs/dbraw/zinc/12/38/75/373123875.db2.gz WAIVESHTKIWVNB-DGCLKSJQSA-N 2 1 253.349 2.485 20 0 CEADMP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H](CO)c1ccccc1 ZINC000271199499 373177889 /nfs/dbraw/zinc/17/78/89/373177889.db2.gz FGBWVTJKOSGRTF-HZPDHXFCSA-N 2 1 262.397 2.136 20 0 CEADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H](CO)c1ccccc1 ZINC000271199499 373177893 /nfs/dbraw/zinc/17/78/93/373177893.db2.gz FGBWVTJKOSGRTF-HZPDHXFCSA-N 2 1 262.397 2.136 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](CO)c1ccccc1 ZINC000271199499 373177897 /nfs/dbraw/zinc/17/78/97/373177897.db2.gz FGBWVTJKOSGRTF-HZPDHXFCSA-N 2 1 262.397 2.136 20 0 CEADMP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](CO)c1ccccc1 ZINC000271199499 373177900 /nfs/dbraw/zinc/17/79/00/373177900.db2.gz FGBWVTJKOSGRTF-HZPDHXFCSA-N 2 1 262.397 2.136 20 0 CEADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000643545199 373203360 /nfs/dbraw/zinc/20/33/60/373203360.db2.gz MGTLZRPIUOAWPV-GOEBONIOSA-N 2 1 289.423 2.444 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CCOC(C)(C)C)CC2 ZINC000368610563 373250475 /nfs/dbraw/zinc/25/04/75/373250475.db2.gz FRWWDTLOSHMTCH-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CCOC(C)(C)C)CC2 ZINC000368610563 373250485 /nfs/dbraw/zinc/25/04/85/373250485.db2.gz FRWWDTLOSHMTCH-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCC[N@@H+](C)C3)C[C@H]2C1 ZINC000643882868 373292048 /nfs/dbraw/zinc/29/20/48/373292048.db2.gz CKVLZQYDNHICPE-LJIZCISZSA-N 2 1 266.429 2.121 20 0 CEADMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)C(C)C ZINC000104948690 284398051 /nfs/dbraw/zinc/39/80/51/284398051.db2.gz TTZBCYKTMGGIBT-CQSZACIVSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CC(=O)N(C)C)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000369721896 373497362 /nfs/dbraw/zinc/49/73/62/373497362.db2.gz PCIRLEDLPGQTSV-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000369721896 373497367 /nfs/dbraw/zinc/49/73/67/373497367.db2.gz PCIRLEDLPGQTSV-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000644524172 373510607 /nfs/dbraw/zinc/51/06/07/373510607.db2.gz XJSKCCHXMCJNBF-NRSFXHEJSA-N 2 1 288.435 2.367 20 0 CEADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3COCCOC3)CC2)C1 ZINC000644551748 373526060 /nfs/dbraw/zinc/52/60/60/373526060.db2.gz AFJUKBSTKLSFHD-PBHICJAKSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2COCCOC2)CC1 ZINC000644553493 373527978 /nfs/dbraw/zinc/52/79/78/373527978.db2.gz SHODMOCJNVVVEQ-RHSMWYFYSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000644574004 373539128 /nfs/dbraw/zinc/53/91/28/373539128.db2.gz KAZPMWPSZZFUJW-MBNYWOFBSA-N 2 1 268.426 2.101 20 0 CEADMP C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000644574004 373539135 /nfs/dbraw/zinc/53/91/35/373539135.db2.gz KAZPMWPSZZFUJW-MBNYWOFBSA-N 2 1 268.426 2.101 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000644574936 373539546 /nfs/dbraw/zinc/53/95/46/373539546.db2.gz MOPTVPFCUCNXMR-UHOFOFEASA-N 2 1 296.842 2.316 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000370060546 373569070 /nfs/dbraw/zinc/56/90/70/373569070.db2.gz CBVMBEKKCCXFRX-OAHLLOKOSA-N 2 1 276.428 2.085 20 0 CEADMP CC(C)[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644669326 373596284 /nfs/dbraw/zinc/59/62/84/373596284.db2.gz YSTBCKGWHMTLRR-YESZJQIVSA-N 2 1 276.424 2.113 20 0 CEADMP CC(C)[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644669326 373596289 /nfs/dbraw/zinc/59/62/89/373596289.db2.gz YSTBCKGWHMTLRR-YESZJQIVSA-N 2 1 276.424 2.113 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247177357 220220522 /nfs/dbraw/zinc/22/05/22/220220522.db2.gz UZKWYAQSTOIALB-KBXIAJHMSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)[N@H+]1CCC[C@@H](C)C1 ZINC000247177357 220220524 /nfs/dbraw/zinc/22/05/24/220220524.db2.gz UZKWYAQSTOIALB-KBXIAJHMSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000644669303 373597658 /nfs/dbraw/zinc/59/76/58/373597658.db2.gz VWZLATQTSUQZTI-QZTJIDSGSA-N 2 1 290.451 2.302 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000353656092 220230237 /nfs/dbraw/zinc/23/02/37/220230237.db2.gz CEMAYNHQPAUCDR-MRXNPFEDSA-N 2 1 261.413 2.206 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272851477 373680386 /nfs/dbraw/zinc/68/03/86/373680386.db2.gz SOWXVVUNALTZBA-DZJNRPSUSA-N 2 1 288.435 2.400 20 0 CEADMP COc1cc(C)[nH+]c(CN(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000270369150 220228359 /nfs/dbraw/zinc/22/83/59/220228359.db2.gz YXZKWMNQQJJZCX-CQSZACIVSA-N 2 1 277.412 2.172 20 0 CEADMP COc1cc(C)[nH+]c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000270369150 220228364 /nfs/dbraw/zinc/22/83/64/220228364.db2.gz YXZKWMNQQJJZCX-CQSZACIVSA-N 2 1 277.412 2.172 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(-n3ccnc3)c2)[C@H](C)C1 ZINC000370650865 373706309 /nfs/dbraw/zinc/70/63/09/373706309.db2.gz GQOCYMHSXHEPGT-ZBFHGGJFSA-N 2 1 299.422 2.087 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCC(F)(F)F ZINC000370660297 373708697 /nfs/dbraw/zinc/70/86/97/373708697.db2.gz KKKKJTQJBIRLFH-JHJVBQTASA-N 2 1 294.361 2.418 20 0 CEADMP COCCC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371209032 373813484 /nfs/dbraw/zinc/81/34/84/373813484.db2.gz RNYSZFHLYSSPGK-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP C[C@@H](c1cnccn1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000274360784 373894132 /nfs/dbraw/zinc/89/41/32/373894132.db2.gz WHMSPAYGZTVOGF-NSHDSACASA-N 2 1 257.341 2.140 20 0 CEADMP C[N@@H+](C[C@H]1CC12CC[NH+](CCn1ccnc1)CC2)C1CC1 ZINC000371320968 373840832 /nfs/dbraw/zinc/84/08/32/373840832.db2.gz LMNGWBSDWQDKOU-OAHLLOKOSA-N 3 1 288.439 2.079 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC000371334138 373845692 /nfs/dbraw/zinc/84/56/92/373845692.db2.gz XMIHLTCAARGLMZ-HNNXBMFYSA-N 2 1 267.461 2.133 20 0 CEADMP Cc1n[nH]cc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000371899210 374000413 /nfs/dbraw/zinc/00/04/13/374000413.db2.gz MENWFWSSAZMDCU-UHFFFAOYSA-N 2 1 299.422 2.462 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000371749275 373967363 /nfs/dbraw/zinc/96/73/63/373967363.db2.gz YOYASQYBJRGPLI-CABCVRRESA-N 2 1 263.385 2.129 20 0 CEADMP C[C@@H]([NH2+]CC[C@H](C)O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274922089 374096517 /nfs/dbraw/zinc/09/65/17/374096517.db2.gz PIXFZKNVGHMFEN-ZMSDIMECSA-N 2 1 276.424 2.258 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)O1 ZINC000372351014 374104847 /nfs/dbraw/zinc/10/48/47/374104847.db2.gz ZDYOECPTRPXLAH-FPCVCCKLSA-N 2 1 278.440 2.360 20 0 CEADMP CC1(C)CC[C@H](C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)O1 ZINC000372351014 374104852 /nfs/dbraw/zinc/10/48/52/374104852.db2.gz ZDYOECPTRPXLAH-FPCVCCKLSA-N 2 1 278.440 2.360 20 0 CEADMP CC1(C)CC[C@H](C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)O1 ZINC000372351014 374104857 /nfs/dbraw/zinc/10/48/57/374104857.db2.gz ZDYOECPTRPXLAH-FPCVCCKLSA-N 2 1 278.440 2.360 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC[C@@H]2CCOC2)C1 ZINC000645811931 374199140 /nfs/dbraw/zinc/19/91/40/374199140.db2.gz ZUCXTZJYCLUSHQ-CVEARBPZSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000645811931 374199148 /nfs/dbraw/zinc/19/91/48/374199148.db2.gz ZUCXTZJYCLUSHQ-CVEARBPZSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645811931 374199154 /nfs/dbraw/zinc/19/91/54/374199154.db2.gz ZUCXTZJYCLUSHQ-CVEARBPZSA-N 2 1 268.445 2.467 20 0 CEADMP COC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)c(F)c1 ZINC000276713834 374276198 /nfs/dbraw/zinc/27/61/98/374276198.db2.gz VZMJQMZCSLRHPR-OAHLLOKOSA-N 2 1 295.333 2.218 20 0 CEADMP COc1ccc(OC)c([C@H](C)[NH2+]CCc2c[nH+]cn2C)c1 ZINC000276633086 374245244 /nfs/dbraw/zinc/24/52/44/374245244.db2.gz JTWYBFPVZNBZRY-LBPRGKRZSA-N 2 1 289.379 2.331 20 0 CEADMP COC(=O)c1coc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000373028282 374247292 /nfs/dbraw/zinc/24/72/92/374247292.db2.gz XZHKNALSZQYNPJ-FPMFFAJLSA-N 2 1 292.379 2.344 20 0 CEADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@@H]1OC ZINC000373224053 374298580 /nfs/dbraw/zinc/29/85/80/374298580.db2.gz OHJURQOCRLTXNK-FPCVCCKLSA-N 2 1 296.455 2.033 20 0 CEADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@@H]1OC ZINC000373224053 374298587 /nfs/dbraw/zinc/29/85/87/374298587.db2.gz OHJURQOCRLTXNK-FPCVCCKLSA-N 2 1 296.455 2.033 20 0 CEADMP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCCn2cc[nH+]c2C)C12CCC2 ZINC000373225655 374299384 /nfs/dbraw/zinc/29/93/84/374299384.db2.gz BXXYDMVFHGDULW-NWANDNLSSA-N 2 1 277.412 2.375 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000373232220 374301147 /nfs/dbraw/zinc/30/11/47/374301147.db2.gz ZUCMMQJDAFQDOF-KFWWJZLASA-N 2 1 277.412 2.375 20 0 CEADMP COc1ccc(OCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277152479 374417991 /nfs/dbraw/zinc/41/79/91/374417991.db2.gz JROWPWCVBMYIQC-OAHLLOKOSA-N 2 1 292.423 2.490 20 0 CEADMP COc1ccc(OCC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277152479 374417999 /nfs/dbraw/zinc/41/79/99/374417999.db2.gz JROWPWCVBMYIQC-OAHLLOKOSA-N 2 1 292.423 2.490 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)cn1 ZINC000334231094 206225174 /nfs/dbraw/zinc/22/51/74/206225174.db2.gz KWYHMJDVHKCDDS-GOSISDBHSA-N 2 1 296.418 2.448 20 0 CEADMP CO[C@H](C)C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000376867733 374748435 /nfs/dbraw/zinc/74/84/35/374748435.db2.gz BSSVABFANNZETL-CYBMUJFWSA-N 2 1 263.385 2.301 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCSC(C)(C)C)CC2)C1 ZINC000376763527 374731346 /nfs/dbraw/zinc/73/13/46/374731346.db2.gz GPESOQBYPKMJMT-OAHLLOKOSA-N 2 1 299.528 2.230 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000278165379 374737712 /nfs/dbraw/zinc/73/77/12/374737712.db2.gz ATGWBOKVZGWSNQ-BRWVUGGUSA-N 2 1 274.408 2.245 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCO ZINC000278390287 374801562 /nfs/dbraw/zinc/80/15/62/374801562.db2.gz AEYQHMSUBPJOKV-RDJZCZTQSA-N 2 1 276.424 2.259 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCO ZINC000278390287 374801566 /nfs/dbraw/zinc/80/15/66/374801566.db2.gz AEYQHMSUBPJOKV-RDJZCZTQSA-N 2 1 276.424 2.259 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)[C@H](C)C1 ZINC000278414384 374809342 /nfs/dbraw/zinc/80/93/42/374809342.db2.gz HZEURPHSQDHGEO-DAXOMENPSA-N 2 1 280.387 2.179 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(NCC[N@H+]2CCC[C@H](C)C2)n1 ZINC000378192687 375038060 /nfs/dbraw/zinc/03/80/60/375038060.db2.gz UXECJSONATWAQC-AWEZNQCLSA-N 2 1 299.422 2.141 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(NCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC000378192687 375038062 /nfs/dbraw/zinc/03/80/62/375038062.db2.gz UXECJSONATWAQC-AWEZNQCLSA-N 2 1 299.422 2.141 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(O)c1 ZINC000378370356 375082813 /nfs/dbraw/zinc/08/28/13/375082813.db2.gz LDNNITRCZWHQAF-OIISXLGYSA-N 2 1 290.407 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(O)c1 ZINC000378370356 375082821 /nfs/dbraw/zinc/08/28/21/375082821.db2.gz LDNNITRCZWHQAF-OIISXLGYSA-N 2 1 290.407 2.076 20 0 CEADMP O[C@@]1(Cc2cccc(Cl)c2)CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000378372222 375085172 /nfs/dbraw/zinc/08/51/72/375085172.db2.gz ADBDWVFENULSDF-OAHLLOKOSA-N 2 1 291.782 2.243 20 0 CEADMP O[C@@]1(Cc2cccc(Cl)c2)CC[N@H+](Cc2c[nH]cn2)C1 ZINC000378372222 375085179 /nfs/dbraw/zinc/08/51/79/375085179.db2.gz ADBDWVFENULSDF-OAHLLOKOSA-N 2 1 291.782 2.243 20 0 CEADMP CC[C@]1(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC[NH2+]C1 ZINC000378226051 375048121 /nfs/dbraw/zinc/04/81/21/375048121.db2.gz VHDZTCVJUCXXKQ-YOEHRIQHSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000379635071 375154063 /nfs/dbraw/zinc/15/40/63/375154063.db2.gz VYGHAFNADCQCND-BPQIPLTHSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C(C)(C)C1 ZINC000380521389 375164169 /nfs/dbraw/zinc/16/41/69/375164169.db2.gz SYJOGIJIFRLQLR-BPUTZDHNSA-N 2 1 276.424 2.038 20 0 CEADMP CC(C)[NH+](C)CC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000378527349 375123316 /nfs/dbraw/zinc/12/33/16/375123316.db2.gz VAPOBSMWZRHSCP-UHFFFAOYSA-N 2 1 287.407 2.443 20 0 CEADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CCC1 ZINC000378546264 375125203 /nfs/dbraw/zinc/12/52/03/375125203.db2.gz PXUUXQMQCMKJRI-HRCADAONSA-N 2 1 296.455 2.035 20 0 CEADMP COCC1(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CCC1 ZINC000394119217 375326807 /nfs/dbraw/zinc/32/68/07/375326807.db2.gz CVXAISDVUNDNEN-AWEZNQCLSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000386475923 375259456 /nfs/dbraw/zinc/25/94/56/375259456.db2.gz RHUBJUGRJJYLEM-IJLUTSLNSA-N 2 1 253.415 2.367 20 0 CEADMP C[N@H+](CCN[C@@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000386963360 375269087 /nfs/dbraw/zinc/26/90/87/375269087.db2.gz ZNJCQZWDKCONHY-IAGOWNOFSA-N 2 1 275.440 2.226 20 0 CEADMP C[N@@H+](CCN[C@@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000386963360 375269094 /nfs/dbraw/zinc/26/90/94/375269094.db2.gz ZNJCQZWDKCONHY-IAGOWNOFSA-N 2 1 275.440 2.226 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)nn1C ZINC000282320132 375456306 /nfs/dbraw/zinc/45/63/06/375456306.db2.gz UGEWLYIOKMEDNA-YPMHNXCESA-N 2 1 275.400 2.220 20 0 CEADMP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C1CC[NH+](C)CC1 ZINC000387595403 321879880 /nfs/dbraw/zinc/87/98/80/321879880.db2.gz UPQOKDMQFBLYTG-CYBMUJFWSA-N 2 1 299.459 2.316 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000414254315 375805518 /nfs/dbraw/zinc/80/55/18/375805518.db2.gz ZWPSWYRJSCCAQI-UKMLZYKCSA-N 2 1 266.429 2.406 20 0 CEADMP Cc1cc(CNCCC[N@@H+]2CCCC[C@@H]2C)nn1C ZINC000414260925 375808300 /nfs/dbraw/zinc/80/83/00/375808300.db2.gz NIAROBQHJMRFKS-ZDUSSCGKSA-N 2 1 264.417 2.083 20 0 CEADMP Cc1ccc(C[N@@H+](C)C2CC([NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000414779503 375963871 /nfs/dbraw/zinc/96/38/71/375963871.db2.gz RLLVTWFGSMKUSO-UHFFFAOYSA-N 2 1 284.407 2.317 20 0 CEADMP CCOc1cc2c(cc1C[NH2+]C1CC[NH2+]CC1)O[C@@H](C)C2 ZINC000414784979 375969386 /nfs/dbraw/zinc/96/93/86/375969386.db2.gz IIWVBNCZMAJPPK-LBPRGKRZSA-N 2 1 290.407 2.250 20 0 CEADMP COc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc(OC)c1O ZINC000414789011 375971054 /nfs/dbraw/zinc/97/10/54/375971054.db2.gz OEFLPFFHCCKMAM-ZDUSSCGKSA-N 2 1 294.395 2.113 20 0 CEADMP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc(OC)c1O ZINC000414789011 375971061 /nfs/dbraw/zinc/97/10/61/375971061.db2.gz OEFLPFFHCCKMAM-ZDUSSCGKSA-N 2 1 294.395 2.113 20 0 CEADMP C[C@@H]1CCc2nc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])sc2C1 ZINC000414790558 375973715 /nfs/dbraw/zinc/97/37/15/375973715.db2.gz AIACDXUQHLBXHV-GRYCIOLGSA-N 2 1 279.453 2.485 20 0 CEADMP COc1cc(C)c(C[NH2+]C[C@H]([NH3+])C(C)C)cc1OC ZINC000414793214 375975955 /nfs/dbraw/zinc/97/59/55/375975955.db2.gz JWZBSASBHVZMGB-ZDUSSCGKSA-N 2 1 266.385 2.085 20 0 CEADMP CCC1CCC([N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000414680430 375915129 /nfs/dbraw/zinc/91/51/29/375915129.db2.gz UCVQDBZKAMSJQK-PCKAHOCUSA-N 2 1 295.471 2.084 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1O ZINC000414685958 375916673 /nfs/dbraw/zinc/91/66/73/375916673.db2.gz FJWCQSMVRNTEBV-TZMCWYRMSA-N 2 1 278.396 2.221 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCC[NH3+])C12CCCCC2 ZINC000414691927 375920238 /nfs/dbraw/zinc/92/02/38/375920238.db2.gz CEVDQIWASXXIFR-UONOGXRCSA-N 2 1 254.418 2.395 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@H]([NH3+])CC(C)C)[C@H](C)C1 ZINC000414699101 375926685 /nfs/dbraw/zinc/92/66/85/375926685.db2.gz JGTDBGQVIDYJSE-KFWWJZLASA-N 2 1 255.450 2.022 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)CC[NH2+]1 ZINC000414702029 375928558 /nfs/dbraw/zinc/92/85/58/375928558.db2.gz WVYOSLGAMREYDR-MGPQQGTHSA-N 2 1 262.401 2.325 20 0 CEADMP CCCc1csc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000414795682 375980055 /nfs/dbraw/zinc/98/00/55/375980055.db2.gz GVMMWVZHQLWNJK-ZYHUDNBSSA-N 2 1 253.415 2.313 20 0 CEADMP C[C@@H]1[N@H+](CC[NH2+]C(C)(C)C)CCC12CCOCC2 ZINC000414749681 375949167 /nfs/dbraw/zinc/94/91/67/375949167.db2.gz WMESWHGKTJGHLA-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1[N@@H+](CC[NH2+]C(C)(C)C)CCC12CCOCC2 ZINC000414749681 375949172 /nfs/dbraw/zinc/94/91/72/375949172.db2.gz WMESWHGKTJGHLA-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cn3c(n2)CCCC3)CC[NH2+]1 ZINC000414751398 375949780 /nfs/dbraw/zinc/94/97/80/375949780.db2.gz AJZWETQXEOVYPW-ZIAGYGMSSA-N 2 1 276.428 2.039 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OCC2CC2)cc1)C1CC1 ZINC000414812518 375998898 /nfs/dbraw/zinc/99/88/98/375998898.db2.gz PLJLIJJBSLHIMR-INIZCTEOSA-N 2 1 260.381 2.302 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000414890943 376010950 /nfs/dbraw/zinc/01/09/50/376010950.db2.gz NLADPKVWPRRMTO-XIRDDKMYSA-N 2 1 273.424 2.164 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414924647 376011388 /nfs/dbraw/zinc/01/13/88/376011388.db2.gz IWLBMADZKUJTPC-YWPYICTPSA-N 2 1 250.361 2.344 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2[NH2+]CCc3ccccc32)[C@H](C)C1 ZINC000414943087 376014168 /nfs/dbraw/zinc/01/41/68/376014168.db2.gz CNAHMRYBSPGQIF-FHLIZLRMSA-N 2 1 287.451 2.193 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058066 376019436 /nfs/dbraw/zinc/01/94/36/376019436.db2.gz RETYEUIQMBQRFB-LVQVYYBASA-N 3 1 267.461 2.214 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058066 376019443 /nfs/dbraw/zinc/01/94/43/376019443.db2.gz RETYEUIQMBQRFB-LVQVYYBASA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H](CCC[NH3+])NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000417049821 376180956 /nfs/dbraw/zinc/18/09/56/376180956.db2.gz VJTXXOSTYWCNPY-GJZGRUSLSA-N 2 1 298.475 2.068 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000287606692 376273968 /nfs/dbraw/zinc/27/39/68/376273968.db2.gz IWUQAUBYMBLKLK-CYBMUJFWSA-N 2 1 296.378 2.123 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1)C1CC1 ZINC000289727194 376464858 /nfs/dbraw/zinc/46/48/58/376464858.db2.gz HGWHTOSETVHVKF-ROUUACIJSA-N 2 1 288.435 2.149 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1)C1CC1 ZINC000289727194 376464866 /nfs/dbraw/zinc/46/48/66/376464866.db2.gz HGWHTOSETVHVKF-ROUUACIJSA-N 2 1 288.435 2.149 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1)C1CC1 ZINC000289727194 376464873 /nfs/dbraw/zinc/46/48/73/376464873.db2.gz HGWHTOSETVHVKF-ROUUACIJSA-N 2 1 288.435 2.149 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1)C1CC1 ZINC000289727194 376464878 /nfs/dbraw/zinc/46/48/78/376464878.db2.gz HGWHTOSETVHVKF-ROUUACIJSA-N 2 1 288.435 2.149 20 0 CEADMP C[N@@H+](C[C@H](O)CN1CCC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000289725184 376465086 /nfs/dbraw/zinc/46/50/86/376465086.db2.gz HDNUIEMSAKKXCC-DLBZAZTESA-N 2 1 292.398 2.418 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000289741244 376474893 /nfs/dbraw/zinc/47/48/93/376474893.db2.gz IEMLVRNUDALWNP-WMZOPIPTSA-N 2 1 288.435 2.006 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000289741244 376474902 /nfs/dbraw/zinc/47/49/02/376474902.db2.gz IEMLVRNUDALWNP-WMZOPIPTSA-N 2 1 288.435 2.006 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000289741244 376474908 /nfs/dbraw/zinc/47/49/08/376474908.db2.gz IEMLVRNUDALWNP-WMZOPIPTSA-N 2 1 288.435 2.006 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000289741244 376474913 /nfs/dbraw/zinc/47/49/13/376474913.db2.gz IEMLVRNUDALWNP-WMZOPIPTSA-N 2 1 288.435 2.006 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1nccs1 ZINC000305759741 376475352 /nfs/dbraw/zinc/47/53/52/376475352.db2.gz IVWHYSJCVAERSY-OLZOCXBDSA-N 2 1 283.441 2.031 20 0 CEADMP CC[C@H](C(=O)N1CCC[N@@H+](C)C[C@@H]1CC)[NH+](CC)CC ZINC000684867932 542081519 /nfs/dbraw/zinc/08/15/19/542081519.db2.gz TXSJKNINRWTJIK-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP C[C@@H]([NH2+]Cc1cnc(C2CC2)s1)[C@@H]1CCC[NH2+]C1 ZINC000556934227 376520302 /nfs/dbraw/zinc/52/03/02/376520302.db2.gz RAGSYDBTEUYNLK-ZYHUDNBSSA-N 2 1 265.426 2.498 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)[C@H]1SC ZINC000556787339 376488564 /nfs/dbraw/zinc/48/85/64/376488564.db2.gz KCBFOENLCHKQGU-BYNSBNAKSA-N 2 1 286.485 2.215 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000309827740 376606284 /nfs/dbraw/zinc/60/62/84/376606284.db2.gz BRLJCWKXZGQDEX-IHRRRGAJSA-N 2 1 299.459 2.077 20 0 CEADMP CCO[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211931785 542084187 /nfs/dbraw/zinc/08/41/87/542084187.db2.gz PLAMSHOJPQIDJU-KRWDZBQOSA-N 2 1 274.408 2.333 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000290085871 376637705 /nfs/dbraw/zinc/63/77/05/376637705.db2.gz VLVBTHOASIQGRP-AEFFLSMTSA-N 2 1 290.451 2.395 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000290085871 376637716 /nfs/dbraw/zinc/63/77/16/376637716.db2.gz VLVBTHOASIQGRP-AEFFLSMTSA-N 2 1 290.451 2.395 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000290085871 376637724 /nfs/dbraw/zinc/63/77/24/376637724.db2.gz VLVBTHOASIQGRP-AEFFLSMTSA-N 2 1 290.451 2.395 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290085871 376637731 /nfs/dbraw/zinc/63/77/31/376637731.db2.gz VLVBTHOASIQGRP-AEFFLSMTSA-N 2 1 290.451 2.395 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290085871 376637738 /nfs/dbraw/zinc/63/77/38/376637738.db2.gz VLVBTHOASIQGRP-AEFFLSMTSA-N 2 1 290.451 2.395 20 0 CEADMP COc1ccc(C)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000310795628 376637801 /nfs/dbraw/zinc/63/78/01/376637801.db2.gz VWYXCAKXDYDWFR-ZDUSSCGKSA-N 2 1 250.386 2.291 20 0 CEADMP CCOc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1OC ZINC000312579835 376722208 /nfs/dbraw/zinc/72/22/08/376722208.db2.gz VVNSNDWNUKZFPH-CYBMUJFWSA-N 2 1 280.412 2.381 20 0 CEADMP CC(C)C(C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)C ZINC000311506404 376673167 /nfs/dbraw/zinc/67/31/67/376673167.db2.gz ZOJXJDIAVHQPAN-HUUCEWRRSA-N 2 1 268.445 2.367 20 0 CEADMP CC(C)C(C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)C ZINC000311506404 376673170 /nfs/dbraw/zinc/67/31/70/376673170.db2.gz ZOJXJDIAVHQPAN-HUUCEWRRSA-N 2 1 268.445 2.367 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](CCCc2ccc(Cl)cc2)CCCO1 ZINC000420389164 376686415 /nfs/dbraw/zinc/68/64/15/376686415.db2.gz MAAJJESSROABIV-OAHLLOKOSA-N 2 1 282.815 2.322 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CCCO1 ZINC000420389164 376686426 /nfs/dbraw/zinc/68/64/26/376686426.db2.gz MAAJJESSROABIV-OAHLLOKOSA-N 2 1 282.815 2.322 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2C)C12CCC2 ZINC000311943452 376696736 /nfs/dbraw/zinc/69/67/36/376696736.db2.gz IFFKVNDYIFPJAD-ZIAGYGMSSA-N 2 1 263.385 2.129 20 0 CEADMP CC1=CC[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000559895521 376698779 /nfs/dbraw/zinc/69/87/79/376698779.db2.gz WBQHJKVPERKAAN-OAHLLOKOSA-N 2 1 293.455 2.018 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000312254310 376707021 /nfs/dbraw/zinc/70/70/21/376707021.db2.gz HWPCNLQTTPVYSB-IAQYHMDHSA-N 2 1 266.360 2.264 20 0 CEADMP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000312254310 376707029 /nfs/dbraw/zinc/70/70/29/376707029.db2.gz HWPCNLQTTPVYSB-IAQYHMDHSA-N 2 1 266.360 2.264 20 0 CEADMP C[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000315810768 376799392 /nfs/dbraw/zinc/79/93/92/376799392.db2.gz XPJCIXJYQVTRDA-UHFFFAOYSA-N 2 1 297.402 2.258 20 0 CEADMP Fc1ccc(/C=C/C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000685420877 542135084 /nfs/dbraw/zinc/13/50/84/542135084.db2.gz YHRPGPVNOMSLDP-WFPVSODESA-N 2 1 264.319 2.129 20 0 CEADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000561532872 376816820 /nfs/dbraw/zinc/81/68/20/376816820.db2.gz SODIXWFVNSFMBR-GJZGRUSLSA-N 2 1 297.487 2.486 20 0 CEADMP C[C@@]1(CCCO)CCC[N@H+]1Cc1cccc2nccn21 ZINC000290555679 376831228 /nfs/dbraw/zinc/83/12/28/376831228.db2.gz SALZUACSUFMLKT-INIZCTEOSA-N 2 1 273.380 2.461 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000562092998 376844772 /nfs/dbraw/zinc/84/47/72/376844772.db2.gz UBIFZOWRHXWDDI-ARFHVFGLSA-N 2 1 269.477 2.427 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000562092998 376844782 /nfs/dbraw/zinc/84/47/82/376844782.db2.gz UBIFZOWRHXWDDI-ARFHVFGLSA-N 2 1 269.477 2.427 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000562092998 376844790 /nfs/dbraw/zinc/84/47/90/376844790.db2.gz UBIFZOWRHXWDDI-ARFHVFGLSA-N 2 1 269.477 2.427 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccncc3)C2)CC1 ZINC000290601176 376848970 /nfs/dbraw/zinc/84/89/70/376848970.db2.gz VYYZSBHWCXBTCE-INIZCTEOSA-N 2 1 259.397 2.245 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1c[nH+]ccc1N ZINC000422977119 376901768 /nfs/dbraw/zinc/90/17/68/376901768.db2.gz JNEVQYFJCBYPPP-NWDGAFQWSA-N 2 1 271.364 2.482 20 0 CEADMP C[C@H](NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000423082269 376974194 /nfs/dbraw/zinc/97/41/94/376974194.db2.gz CURPALAVNFZWDL-ZNMIVQPWSA-N 2 1 267.461 2.227 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422994833 376909737 /nfs/dbraw/zinc/90/97/37/376909737.db2.gz IPVMMYNOIXOULM-IXDOHACOSA-N 3 1 281.488 2.462 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422994833 376909745 /nfs/dbraw/zinc/90/97/45/376909745.db2.gz IPVMMYNOIXOULM-IXDOHACOSA-N 2 1 281.488 2.462 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422994833 376909749 /nfs/dbraw/zinc/90/97/49/376909749.db2.gz IPVMMYNOIXOULM-IXDOHACOSA-N 2 1 281.488 2.462 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422996511 376913567 /nfs/dbraw/zinc/91/35/67/376913567.db2.gz MJUFXDPOEAQQBU-BZUAXINKSA-N 2 1 267.461 2.071 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422996511 376913575 /nfs/dbraw/zinc/91/35/75/376913575.db2.gz MJUFXDPOEAQQBU-BZUAXINKSA-N 3 1 267.461 2.071 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422996511 376913585 /nfs/dbraw/zinc/91/35/85/376913585.db2.gz MJUFXDPOEAQQBU-BZUAXINKSA-N 3 1 267.461 2.071 20 0 CEADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000423004056 376921911 /nfs/dbraw/zinc/92/19/11/376921911.db2.gz IZROXSOUDAVRNQ-HUUCEWRRSA-N 3 1 255.450 2.212 20 0 CEADMP COC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423014605 376928485 /nfs/dbraw/zinc/92/84/85/376928485.db2.gz IYQUVKXXQKDIKN-IUODEOHRSA-N 2 1 284.350 2.384 20 0 CEADMP CC1=CC[N@H+](CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423042569 376948310 /nfs/dbraw/zinc/94/83/10/376948310.db2.gz ZTAOGSVCCOUMPK-BRWVUGGUSA-N 2 1 277.456 2.149 20 0 CEADMP CC1=CC[N@@H+](CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423042569 376948315 /nfs/dbraw/zinc/94/83/15/376948315.db2.gz ZTAOGSVCCOUMPK-BRWVUGGUSA-N 2 1 277.456 2.149 20 0 CEADMP CSCCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423056052 376951084 /nfs/dbraw/zinc/95/10/84/376951084.db2.gz WVWGZLWVZGYHMF-RBSFLKMASA-N 2 1 286.485 2.266 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423085586 376979485 /nfs/dbraw/zinc/97/94/85/376979485.db2.gz KWBBPFCUKLVWAQ-YQQAZPJKSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423085586 376979490 /nfs/dbraw/zinc/97/94/90/376979490.db2.gz KWBBPFCUKLVWAQ-YQQAZPJKSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423085586 376979501 /nfs/dbraw/zinc/97/95/01/376979501.db2.gz KWBBPFCUKLVWAQ-YQQAZPJKSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423118563 377012916 /nfs/dbraw/zinc/01/29/16/377012916.db2.gz BELOVHGPCYBFMU-WBIUFABUSA-N 2 1 264.344 2.379 20 0 CEADMP Cc1cccnc1CCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423150993 377051509 /nfs/dbraw/zinc/05/15/09/377051509.db2.gz JOSOGGGOSWCZGC-CYBMUJFWSA-N 2 1 270.380 2.481 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1COc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423126297 377024931 /nfs/dbraw/zinc/02/49/31/377024931.db2.gz RKUBPZCVJOLRQL-YUELXQCFSA-N 2 1 260.381 2.283 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423129910 377027313 /nfs/dbraw/zinc/02/73/13/377027313.db2.gz GBIPGPFFJLFAJO-QWRGUYRKSA-N 2 1 274.286 2.397 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1c[nH+]ccc1N ZINC000423135940 377034753 /nfs/dbraw/zinc/03/47/53/377034753.db2.gz OQFWJPKBQJRVQX-OCCSQVGLSA-N 2 1 277.412 2.334 20 0 CEADMP COc1ccncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423136624 377035690 /nfs/dbraw/zinc/03/56/90/377035690.db2.gz VJMMORUSWUWQDA-SOUVJXGZSA-N 2 1 275.396 2.101 20 0 CEADMP C[C@@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000423090174 376986128 /nfs/dbraw/zinc/98/61/28/376986128.db2.gz UTDNCMDLUFYZIY-CCGTUFIJSA-N 2 1 288.435 2.273 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000423103695 376996342 /nfs/dbraw/zinc/99/63/42/376996342.db2.gz XVWNKTAYKWOHBY-ARFHVFGLSA-N 2 1 265.445 2.253 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423105405 376998689 /nfs/dbraw/zinc/99/86/89/376998689.db2.gz ILWZEMXOQZAWSE-MWDXBVQZSA-N 2 1 279.472 2.371 20 0 CEADMP CCCN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423105405 376998691 /nfs/dbraw/zinc/99/86/91/376998691.db2.gz ILWZEMXOQZAWSE-MWDXBVQZSA-N 2 1 279.472 2.371 20 0 CEADMP COc1cccc(C[C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423194327 377108354 /nfs/dbraw/zinc/10/83/54/377108354.db2.gz RFPOFODYHRLIPL-RDJZCZTQSA-N 2 1 274.408 2.358 20 0 CEADMP [NH3+]CCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423195524 377109955 /nfs/dbraw/zinc/10/99/55/377109955.db2.gz STQJYLWBZVQQLD-OKZBNKHCSA-N 2 1 287.451 2.226 20 0 CEADMP [NH3+]CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423195524 377109967 /nfs/dbraw/zinc/10/99/67/377109967.db2.gz STQJYLWBZVQQLD-OKZBNKHCSA-N 3 1 287.451 2.226 20 0 CEADMP [NH3+]CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423195524 377109980 /nfs/dbraw/zinc/10/99/80/377109980.db2.gz STQJYLWBZVQQLD-OKZBNKHCSA-N 3 1 287.451 2.226 20 0 CEADMP C[NH2+]CCC[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000423201892 377117388 /nfs/dbraw/zinc/11/73/88/377117388.db2.gz QFKNEQCXDBPSNC-AWEZNQCLSA-N 2 1 264.369 2.108 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC1([NH3+])CCCCCC1 ZINC000423203692 377120958 /nfs/dbraw/zinc/12/09/58/377120958.db2.gz SYEUAUWYEHNIBU-RBSFLKMASA-N 2 1 267.461 2.356 20 0 CEADMP CO[C@@](C)(C[NH2+]Cc1c[nH+]ccc1N(C)C)C1CC1 ZINC000291071288 377057499 /nfs/dbraw/zinc/05/74/99/377057499.db2.gz RTVAZZJNQAVESK-HNNXBMFYSA-N 2 1 263.385 2.052 20 0 CEADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423157366 377058572 /nfs/dbraw/zinc/05/85/72/377058572.db2.gz AQRCRWZERNYXLM-WQGACYEGSA-N 2 1 280.387 2.353 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H](C)CCCCO ZINC000423164004 377068203 /nfs/dbraw/zinc/06/82/03/377068203.db2.gz WKBHAVAZQQNYMW-IIAWOOMASA-N 2 1 264.413 2.086 20 0 CEADMP CC[C@@H]([NH2+][C@H](CO)Cc1ccc(C)c(C)c1)[C@@H]1CCC[NH2+]1 ZINC000423170388 377077863 /nfs/dbraw/zinc/07/78/63/377077863.db2.gz XYETWUNJGZVCMC-KSZLIROESA-N 2 1 290.451 2.327 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000423176260 377084895 /nfs/dbraw/zinc/08/48/95/377084895.db2.gz FYYXCELUGANCOZ-IVMMDQJWSA-N 2 1 280.387 2.022 20 0 CEADMP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423175565 377085384 /nfs/dbraw/zinc/08/53/84/377085384.db2.gz DZWAGJZBIJCKON-ZFZWDLNGSA-N 2 1 274.408 2.386 20 0 CEADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCC[NH2+]C)CCC2 ZINC000423208564 377124595 /nfs/dbraw/zinc/12/45/95/377124595.db2.gz ZEXARHJNCDVXKO-GFCCVEGCSA-N 2 1 294.395 2.341 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000563095569 377093298 /nfs/dbraw/zinc/09/32/98/377093298.db2.gz AFKZSQAOUWYPEQ-ZDUSSCGKSA-N 2 1 259.397 2.002 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000563095569 377093302 /nfs/dbraw/zinc/09/33/02/377093302.db2.gz AFKZSQAOUWYPEQ-ZDUSSCGKSA-N 2 1 259.397 2.002 20 0 CEADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC[NH3+])cc1F ZINC000423183039 377095539 /nfs/dbraw/zinc/09/55/39/377095539.db2.gz KWTMZQCGCNIRQP-JSGCOSHPSA-N 2 1 266.360 2.409 20 0 CEADMP [NH3+]CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423183637 377097652 /nfs/dbraw/zinc/09/76/52/377097652.db2.gz LJFVLMQMOLLBTP-KZNAEPCWSA-N 2 1 287.451 2.226 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000423273150 377195158 /nfs/dbraw/zinc/19/51/58/377195158.db2.gz ZYJPEBDNJAWXGF-LSDHHAIUSA-N 2 1 291.439 2.391 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(F)cn1 ZINC000423212972 377129110 /nfs/dbraw/zinc/12/91/10/377129110.db2.gz JKYKDROSQUJEKJ-SDDRHHMPSA-N 2 1 281.375 2.268 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423227962 377145267 /nfs/dbraw/zinc/14/52/67/377145267.db2.gz XSCAKVFDOZTNMP-OIBJUYFYSA-N 2 1 258.287 2.418 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1OC ZINC000423274562 377198413 /nfs/dbraw/zinc/19/84/13/377198413.db2.gz MHGGNZMAACYKKR-YPMHNXCESA-N 2 1 266.385 2.338 20 0 CEADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423275309 377198551 /nfs/dbraw/zinc/19/85/51/377198551.db2.gz LOVIXNJVJAJMAT-JKSUJKDBSA-N 2 1 280.387 2.100 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1OC ZINC000423267651 377186807 /nfs/dbraw/zinc/18/68/07/377186807.db2.gz CZWNWYNTURWDCS-GWCFXTLKSA-N 2 1 264.369 2.092 20 0 CEADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C[NH3+])C1CC1 ZINC000423280895 377207558 /nfs/dbraw/zinc/20/75/58/377207558.db2.gz TVUKSGITSJMJIN-UONOGXRCSA-N 2 1 264.344 2.149 20 0 CEADMP COC[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)C1CC1 ZINC000423281745 377209830 /nfs/dbraw/zinc/20/98/30/377209830.db2.gz UQMBRUMYZZJZHR-OAHLLOKOSA-N 2 1 254.418 2.313 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000423283636 377211454 /nfs/dbraw/zinc/21/14/54/377211454.db2.gz XQXHGWKELHFKSM-RISCZKNCSA-N 2 1 266.360 2.485 20 0 CEADMP OC1CC[NH+](CCC[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000563414848 377213643 /nfs/dbraw/zinc/21/36/43/377213643.db2.gz ANDBLHZZCNJGHB-UHFFFAOYSA-N 2 1 287.407 2.104 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000423290580 377219183 /nfs/dbraw/zinc/21/91/83/377219183.db2.gz DOXJIJQQCBIKKC-XKQJLSEDSA-N 2 1 273.424 2.423 20 0 CEADMP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000423290580 377219190 /nfs/dbraw/zinc/21/91/90/377219190.db2.gz DOXJIJQQCBIKKC-XKQJLSEDSA-N 2 1 273.424 2.423 20 0 CEADMP C[C@H]([NH3+])c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000423290580 377219195 /nfs/dbraw/zinc/21/91/95/377219195.db2.gz DOXJIJQQCBIKKC-XKQJLSEDSA-N 2 1 273.424 2.423 20 0 CEADMP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH3+])nnn1-c1ccc(C)cc1 ZINC000423294101 377223356 /nfs/dbraw/zinc/22/33/56/377223356.db2.gz BHIUYUAJXZKTTF-CHWSQXEVSA-N 2 1 287.411 2.130 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000423296859 377224818 /nfs/dbraw/zinc/22/48/18/377224818.db2.gz HUMHZZQEUSJRAL-KGLIPLIRSA-N 2 1 287.411 2.435 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)[C@H](C)C1 ZINC000563443453 377228362 /nfs/dbraw/zinc/22/83/62/377228362.db2.gz GOQNVFCUCDQLJG-KCXAZCMYSA-N 2 1 292.398 2.449 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000423304808 377235233 /nfs/dbraw/zinc/23/52/33/377235233.db2.gz ZNXNUKPSAPBJEY-KBPBESRZSA-N 2 1 252.406 2.015 20 0 CEADMP C[C@@H](C[NH3+])CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423311172 377239794 /nfs/dbraw/zinc/23/97/94/377239794.db2.gz SUBQTSUEHGNNQT-OWLYRPNTSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423311172 377239801 /nfs/dbraw/zinc/23/98/01/377239801.db2.gz SUBQTSUEHGNNQT-OWLYRPNTSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423311172 377239811 /nfs/dbraw/zinc/23/98/11/377239811.db2.gz SUBQTSUEHGNNQT-OWLYRPNTSA-N 3 1 287.451 2.366 20 0 CEADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)CCC2 ZINC000423313927 377242536 /nfs/dbraw/zinc/24/25/36/377242536.db2.gz GKYRZJMXLPQCOH-MNOVXSKESA-N 2 1 265.426 2.410 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1OC ZINC000423325628 377257465 /nfs/dbraw/zinc/25/74/65/377257465.db2.gz QJFJBUHEERRJHU-FZMZJTMJSA-N 2 1 278.396 2.400 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000423277295 377202087 /nfs/dbraw/zinc/20/20/87/377202087.db2.gz PRRAWFJTBPREHF-TVQRCGJNSA-N 2 1 254.324 2.397 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Cl)cn1 ZINC000563802567 377293483 /nfs/dbraw/zinc/29/34/83/377293483.db2.gz IZYWANLTQMIFRF-JTQLQIEISA-N 2 1 264.760 2.362 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000564348549 377381952 /nfs/dbraw/zinc/38/19/52/377381952.db2.gz LTMBHORBJCSLDZ-KBPBESRZSA-N 2 1 274.408 2.441 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2cnn(C)c2)s1 ZINC000564667175 377431121 /nfs/dbraw/zinc/43/11/21/377431121.db2.gz SJEAEWBMYCMTEQ-YPMHNXCESA-N 2 1 290.436 2.460 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)ncn1 ZINC000293073372 377417816 /nfs/dbraw/zinc/41/78/16/377417816.db2.gz HDWPOFLEYHIAKH-DOMZBBRYSA-N 2 1 271.368 2.065 20 0 CEADMP Cc1cc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)ncn1 ZINC000293073372 377417824 /nfs/dbraw/zinc/41/78/24/377417824.db2.gz HDWPOFLEYHIAKH-DOMZBBRYSA-N 2 1 271.368 2.065 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000564948883 377512859 /nfs/dbraw/zinc/51/28/59/377512859.db2.gz MJCUORIGNYXDFB-LSDHHAIUSA-N 2 1 295.471 2.144 20 0 CEADMP CSc1ccc(OCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000430645087 377532218 /nfs/dbraw/zinc/53/22/18/377532218.db2.gz NOUDZVHEWLWXPX-UHFFFAOYSA-N 2 1 266.410 2.210 20 0 CEADMP CO[C@@H](C)c1nc(C[NH+]2CCC(C[NH3+])CC2)cs1 ZINC000430650084 377533149 /nfs/dbraw/zinc/53/31/49/377533149.db2.gz JUFRUYIQXWMWEJ-JTQLQIEISA-N 2 1 269.414 2.021 20 0 CEADMP COC1CCN(C(C)(C)C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000332299399 377564600 /nfs/dbraw/zinc/56/46/00/377564600.db2.gz KMLAZMIICRYANU-HOTGVXAUSA-N 2 1 297.487 2.125 20 0 CEADMP COc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1OC ZINC000312610820 249373319 /nfs/dbraw/zinc/37/33/19/249373319.db2.gz GSTFLTVNKNAXRT-MLGOLLRUSA-N 2 1 278.396 2.121 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1OC ZINC000312610820 249373324 /nfs/dbraw/zinc/37/33/24/249373324.db2.gz GSTFLTVNKNAXRT-MLGOLLRUSA-N 2 1 278.396 2.121 20 0 CEADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000332633930 377649478 /nfs/dbraw/zinc/64/94/78/377649478.db2.gz VHWPWHWAGGONNV-CHWSQXEVSA-N 2 1 296.798 2.471 20 0 CEADMP Cc1sccc1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000293738422 377732067 /nfs/dbraw/zinc/73/20/67/377732067.db2.gz ZWHFKPWRZSAJMN-OAHLLOKOSA-N 2 1 282.453 2.383 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000333333649 377760736 /nfs/dbraw/zinc/76/07/36/377760736.db2.gz WRXBPHCYANVSGE-YUELXQCFSA-N 2 1 276.428 2.167 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(F)c2)CC[N@H+]1C ZINC000567161291 377805116 /nfs/dbraw/zinc/80/51/16/377805116.db2.gz SBTFCGXYZGMXPP-GXTWGEPZSA-N 2 1 293.386 2.227 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000435877997 377813103 /nfs/dbraw/zinc/81/31/03/377813103.db2.gz WZOLLYYXLJTUOP-MRXNPFEDSA-N 2 1 261.413 2.499 20 0 CEADMP C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1c[nH+]ccc1N ZINC000567579894 377844195 /nfs/dbraw/zinc/84/41/95/377844195.db2.gz RWAJPKAYAUEVLK-LLVKDONJSA-N 2 1 283.379 2.055 20 0 CEADMP C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@H]1CCCC[NH2+]1 ZINC000567579909 377844570 /nfs/dbraw/zinc/84/45/70/377844570.db2.gz WNBMJKFPCNCFKT-GXTWGEPZSA-N 2 1 276.380 2.078 20 0 CEADMP C[C@@H]([NH3+])C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000442664944 377978831 /nfs/dbraw/zinc/97/88/31/377978831.db2.gz LCQYKSLTKUKBTH-LLVKDONJSA-N 2 1 268.788 2.283 20 0 CEADMP C[N@H+](C[C@@H](O)c1ccc(F)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000266018160 190223587 /nfs/dbraw/zinc/22/35/87/190223587.db2.gz QXKDPAPBPCWCSQ-BLLLJJGKSA-N 2 1 298.377 2.272 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000266018160 190223588 /nfs/dbraw/zinc/22/35/88/190223588.db2.gz QXKDPAPBPCWCSQ-BLLLJJGKSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@@H](O)c1ccc(F)cc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000266018160 190223589 /nfs/dbraw/zinc/22/35/89/190223589.db2.gz QXKDPAPBPCWCSQ-BLLLJJGKSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@@H](O)c1ccc(F)cc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000266018160 190223590 /nfs/dbraw/zinc/22/35/90/190223590.db2.gz QXKDPAPBPCWCSQ-BLLLJJGKSA-N 2 1 298.377 2.272 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449337572 378202772 /nfs/dbraw/zinc/20/27/72/378202772.db2.gz QCYMVENAIRUYCB-FXUDXRNXSA-N 2 1 295.471 2.131 20 0 CEADMP CCc1cc(NCCc2cn3c([nH+]2)CCCC3)cc[nH+]1 ZINC000450247364 378326059 /nfs/dbraw/zinc/32/60/59/378326059.db2.gz NHHYQPIPKOCYAA-UHFFFAOYSA-N 2 1 270.380 2.253 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccncc1C ZINC000295897587 378347525 /nfs/dbraw/zinc/34/75/25/378347525.db2.gz YURCOBHLVIBHNX-UHFFFAOYSA-N 2 1 258.369 2.465 20 0 CEADMP CN(CC[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH+](C2CC2)C1 ZINC000450397037 378392818 /nfs/dbraw/zinc/39/28/18/378392818.db2.gz YGWCFROIGVPHMT-SFHVURJKSA-N 2 1 287.451 2.287 20 0 CEADMP CN(CC[NH+](C)Cc1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000450397037 378392822 /nfs/dbraw/zinc/39/28/22/378392822.db2.gz YGWCFROIGVPHMT-SFHVURJKSA-N 2 1 287.451 2.287 20 0 CEADMP CN(CC[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000450397037 378392827 /nfs/dbraw/zinc/39/28/27/378392827.db2.gz YGWCFROIGVPHMT-SFHVURJKSA-N 2 1 287.451 2.287 20 0 CEADMP C[N@H+](CCCO)C1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000450413367 378403613 /nfs/dbraw/zinc/40/36/13/378403613.db2.gz SXWQRWKPHOKKNN-ZDUSSCGKSA-N 2 1 290.398 2.200 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000450413367 378403615 /nfs/dbraw/zinc/40/36/15/378403615.db2.gz SXWQRWKPHOKKNN-ZDUSSCGKSA-N 2 1 290.398 2.200 20 0 CEADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2cscn2)C1 ZINC000450455480 378427124 /nfs/dbraw/zinc/42/71/24/378427124.db2.gz VHYWXTBBYXPQMA-AWEZNQCLSA-N 2 1 279.453 2.349 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2cscn2)C1 ZINC000450455480 378427132 /nfs/dbraw/zinc/42/71/32/378427132.db2.gz VHYWXTBBYXPQMA-AWEZNQCLSA-N 2 1 279.453 2.349 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2cscn2)C1 ZINC000450455480 378427140 /nfs/dbraw/zinc/42/71/40/378427140.db2.gz VHYWXTBBYXPQMA-AWEZNQCLSA-N 2 1 279.453 2.349 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2cscn2)C1 ZINC000450455480 378427148 /nfs/dbraw/zinc/42/71/48/378427148.db2.gz VHYWXTBBYXPQMA-AWEZNQCLSA-N 2 1 279.453 2.349 20 0 CEADMP CCC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450723126 378548374 /nfs/dbraw/zinc/54/83/74/378548374.db2.gz BYZQJYFEEQRUOT-FMKPAKJESA-N 2 1 268.445 2.390 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]CCc1cccc(Cl)c1 ZINC000298420389 378722123 /nfs/dbraw/zinc/72/21/23/378722123.db2.gz MNFURXAPVFQBQN-UHFFFAOYSA-N 2 1 284.831 2.440 20 0 CEADMP C[C@](O)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000298571649 378769507 /nfs/dbraw/zinc/76/95/07/378769507.db2.gz XBXMABSHCCNDBN-HNNXBMFYSA-N 2 1 280.437 2.172 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)C[C@@H]12 ZINC000346842423 218032357 /nfs/dbraw/zinc/03/23/57/218032357.db2.gz HQRMDNKTGAHHJY-NILFDRSVSA-N 2 1 288.420 2.103 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346819543 218022663 /nfs/dbraw/zinc/02/26/63/218022663.db2.gz HMHLFBPKVGGTRV-NUEKZKHPSA-N 2 1 287.407 2.204 20 0 CEADMP CN(CC[C@H]1CCCC[N@@H+]1C)c1[nH+]cnc2[nH]ccc21 ZINC000266262890 190244206 /nfs/dbraw/zinc/24/42/06/190244206.db2.gz PMOBUFJBWFTWPZ-GFCCVEGCSA-N 2 1 273.384 2.269 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)c1[nH+]cnc2[nH]ccc21 ZINC000266262890 190244207 /nfs/dbraw/zinc/24/42/07/190244207.db2.gz PMOBUFJBWFTWPZ-GFCCVEGCSA-N 2 1 273.384 2.269 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@H]2CCC[C@H]21 ZINC000453337945 378866003 /nfs/dbraw/zinc/86/60/03/378866003.db2.gz BWGWAJJFLISSTA-HZSPNIEDSA-N 2 1 268.445 2.246 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[NH+](C)[C@@H]3CCC[C@@H]31)C2 ZINC000453347559 378869511 /nfs/dbraw/zinc/86/95/11/378869511.db2.gz KRKGIONTFRTFTR-YEUBTCNTSA-N 2 1 277.456 2.074 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)C2 ZINC000453347559 378869516 /nfs/dbraw/zinc/86/95/16/378869516.db2.gz KRKGIONTFRTFTR-YEUBTCNTSA-N 2 1 277.456 2.074 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@@H+](C)[C@@H]3CCC[C@@H]31)C2 ZINC000453347559 378869520 /nfs/dbraw/zinc/86/95/20/378869520.db2.gz KRKGIONTFRTFTR-YEUBTCNTSA-N 2 1 277.456 2.074 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[NH+](C)[C@@H]3CCC[C@@H]31)C2 ZINC000453347559 378869523 /nfs/dbraw/zinc/86/95/23/378869523.db2.gz KRKGIONTFRTFTR-YEUBTCNTSA-N 3 1 277.456 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[NH+](C)[C@@H]3CCC[C@@H]31)C2 ZINC000453347559 378869528 /nfs/dbraw/zinc/86/95/28/378869528.db2.gz KRKGIONTFRTFTR-YEUBTCNTSA-N 3 1 277.456 2.074 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)C2 ZINC000453347559 378869531 /nfs/dbraw/zinc/86/95/31/378869531.db2.gz KRKGIONTFRTFTR-YEUBTCNTSA-N 3 1 277.456 2.074 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[N@@H+](C)[C@@H]3CCC[C@@H]31)C2 ZINC000453347559 378869535 /nfs/dbraw/zinc/86/95/35/378869535.db2.gz KRKGIONTFRTFTR-YEUBTCNTSA-N 3 1 277.456 2.074 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC[NH+]1CCCC1(C)C ZINC000453401018 378888770 /nfs/dbraw/zinc/88/87/70/378888770.db2.gz OSPVYWKYQXMPOK-QLFBSQMISA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NCC[N@@H+]1CCCC1(C)C ZINC000453401018 378888772 /nfs/dbraw/zinc/88/87/72/378888772.db2.gz OSPVYWKYQXMPOK-QLFBSQMISA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NCC[N@H+]1CCCC1(C)C ZINC000453401018 378888776 /nfs/dbraw/zinc/88/87/76/378888776.db2.gz OSPVYWKYQXMPOK-QLFBSQMISA-N 2 1 267.461 2.179 20 0 CEADMP Cc1nccnc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453405385 378889653 /nfs/dbraw/zinc/88/96/53/378889653.db2.gz QLHVMMKNHFADCS-LBPRGKRZSA-N 2 1 262.401 2.310 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453411669 378892982 /nfs/dbraw/zinc/89/29/82/378892982.db2.gz VXROZQMQRMRAMX-HNNXBMFYSA-N 2 1 276.428 2.262 20 0 CEADMP OC[C@H](C1CC1)[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000346967241 218072052 /nfs/dbraw/zinc/07/20/52/218072052.db2.gz JAHFLQOGRMVZEV-GOSISDBHSA-N 2 1 288.435 2.259 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOCC1CCCC1 ZINC000453577351 378912455 /nfs/dbraw/zinc/91/24/55/378912455.db2.gz AJRNFJIBDPKOOT-UHFFFAOYSA-N 2 1 277.412 2.444 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000346992051 218083145 /nfs/dbraw/zinc/08/31/45/218083145.db2.gz AHABUGHFFIFYRD-GXTWGEPZSA-N 2 1 275.396 2.204 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@@H]1[NH3+] ZINC000347038084 218100625 /nfs/dbraw/zinc/10/06/25/218100625.db2.gz ICXZEWDSAQEVCE-BBRMVZONSA-N 2 1 298.390 2.438 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)CCO1 ZINC000347066272 218111559 /nfs/dbraw/zinc/11/15/59/218111559.db2.gz LOUKQONCWFBXBW-APIJFGDWSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000497087809 379047400 /nfs/dbraw/zinc/04/74/00/379047400.db2.gz HNZILDRSCOWKIF-XHDPSFHLSA-N 2 1 289.379 2.031 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000347444322 218238097 /nfs/dbraw/zinc/23/80/97/218238097.db2.gz SDEWPEZENXTSSM-SJORKVTESA-N 2 1 298.471 2.378 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cn[nH]c2C)CC1 ZINC000180448499 542264731 /nfs/dbraw/zinc/26/47/31/542264731.db2.gz MKHUJXOWYWQTCW-GFCCVEGCSA-N 2 1 264.417 2.491 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000180458832 542264352 /nfs/dbraw/zinc/26/43/52/542264352.db2.gz SNNXSRRTQLEEAC-JSGCOSHPSA-N 2 1 264.417 2.489 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000180458832 542264356 /nfs/dbraw/zinc/26/43/56/542264356.db2.gz SNNXSRRTQLEEAC-JSGCOSHPSA-N 2 1 264.417 2.489 20 0 CEADMP CC1CCC(O)(C[N@@H+]2[C@@H]3CC[C@H]2CCN(C)C3)CC1 ZINC000515178310 379191241 /nfs/dbraw/zinc/19/12/41/379191241.db2.gz LWGATZVHUVTKJW-PWUWZPNHSA-N 2 1 266.429 2.096 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000515433444 379219315 /nfs/dbraw/zinc/21/93/15/379219315.db2.gz WTYRIJUWBXAFKA-QKPAOTATSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000515433444 379219322 /nfs/dbraw/zinc/21/93/22/379219322.db2.gz WTYRIJUWBXAFKA-QKPAOTATSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000515433444 379219329 /nfs/dbraw/zinc/21/93/29/379219329.db2.gz WTYRIJUWBXAFKA-QKPAOTATSA-N 3 1 267.461 2.214 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000266520873 190263861 /nfs/dbraw/zinc/26/38/61/190263861.db2.gz IHEGWQJMILYXHD-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000266520873 190263862 /nfs/dbraw/zinc/26/38/62/190263862.db2.gz IHEGWQJMILYXHD-OAHLLOKOSA-N 2 1 292.423 2.348 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccnc(OC)c2)C1 ZINC000515500444 379227812 /nfs/dbraw/zinc/22/78/12/379227812.db2.gz VWLKHMTUDODIEJ-KGLIPLIRSA-N 2 1 277.412 2.473 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccnc(OC)c2)C1 ZINC000515500444 379227817 /nfs/dbraw/zinc/22/78/17/379227817.db2.gz VWLKHMTUDODIEJ-KGLIPLIRSA-N 2 1 277.412 2.473 20 0 CEADMP CC(C)[N@@H+](C)CCNc1cc(N2CCCCC2)ncn1 ZINC000301588090 379286243 /nfs/dbraw/zinc/28/62/43/379286243.db2.gz WSECVVCTESSSDL-UHFFFAOYSA-N 2 1 277.416 2.219 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCOCC2CCC2)[C@H](C)C1 ZINC000516696298 379304300 /nfs/dbraw/zinc/30/43/00/379304300.db2.gz VZXZVNYDWYWNPD-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000302264724 379347000 /nfs/dbraw/zinc/34/70/00/379347000.db2.gz POTIRNDFKGCZAM-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000456350396 379401349 /nfs/dbraw/zinc/40/13/49/379401349.db2.gz LLASJBMWGKIYRX-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000519424808 379419074 /nfs/dbraw/zinc/41/90/74/379419074.db2.gz AQXVZEPCHSOEQU-OAGGEKHMSA-N 3 1 267.461 2.358 20 0 CEADMP C[NH+]1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000266665248 190274309 /nfs/dbraw/zinc/27/43/09/190274309.db2.gz YBIQWHHBJQUFNU-UHFFFAOYSA-N 2 1 298.390 2.453 20 0 CEADMP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000303047187 379484461 /nfs/dbraw/zinc/48/44/61/379484461.db2.gz WPVMTOILVHGIQN-JKSUJKDBSA-N 2 1 276.424 2.411 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000521834692 379543934 /nfs/dbraw/zinc/54/39/34/379543934.db2.gz LGJIZWZQMHQHEY-KBPBESRZSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc2c(c1)CCC2 ZINC000305151587 379663270 /nfs/dbraw/zinc/66/32/70/379663270.db2.gz UIKXMIUYHUAKQR-KBXCAEBGSA-N 2 1 288.435 2.283 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000305643370 379723005 /nfs/dbraw/zinc/72/30/05/379723005.db2.gz RDKGPZKVCCNHED-HOTGVXAUSA-N 2 1 277.412 2.209 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000305643370 379723010 /nfs/dbraw/zinc/72/30/10/379723010.db2.gz RDKGPZKVCCNHED-HOTGVXAUSA-N 2 1 277.412 2.209 20 0 CEADMP C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000267336649 190321978 /nfs/dbraw/zinc/32/19/78/190321978.db2.gz BHTKNUMTCSXDSB-HIFRSBDPSA-N 2 1 286.379 2.003 20 0 CEADMP CCc1cc(CCC[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)on1 ZINC000347732199 218337170 /nfs/dbraw/zinc/33/71/70/218337170.db2.gz BIHULRPGAUVFQB-AWEZNQCLSA-N 2 1 279.428 2.443 20 0 CEADMP CCc1cc(CCC[NH+]2CC[C@@H](C[N@H+](C)CC)C2)on1 ZINC000347732199 218337171 /nfs/dbraw/zinc/33/71/71/218337171.db2.gz BIHULRPGAUVFQB-AWEZNQCLSA-N 2 1 279.428 2.443 20 0 CEADMP CCc1cc(CCC[N@H+]2CC[C@@H](C[NH+](C)CC)C2)on1 ZINC000347732199 218337174 /nfs/dbraw/zinc/33/71/74/218337174.db2.gz BIHULRPGAUVFQB-AWEZNQCLSA-N 2 1 279.428 2.443 20 0 CEADMP CCc1cc(CCC[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)on1 ZINC000347732199 218337175 /nfs/dbraw/zinc/33/71/75/218337175.db2.gz BIHULRPGAUVFQB-AWEZNQCLSA-N 2 1 279.428 2.443 20 0 CEADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527652222 379785400 /nfs/dbraw/zinc/78/54/00/379785400.db2.gz CPBANRIWQHASGT-JLSDUUJJSA-N 2 1 293.499 2.284 20 0 CEADMP COc1cccnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000527927949 379849380 /nfs/dbraw/zinc/84/93/80/379849380.db2.gz CIKARTJCZHFWMB-STQMWFEESA-N 2 1 261.369 2.011 20 0 CEADMP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000527983947 379866420 /nfs/dbraw/zinc/86/64/20/379866420.db2.gz YDHQCUGLGATIAN-JARUQAPTSA-N 2 1 252.402 2.016 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000347779623 218353637 /nfs/dbraw/zinc/35/36/37/218353637.db2.gz FOLOFBUYKAGKSX-GJZGRUSLSA-N 2 1 279.428 2.311 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000347779623 218353639 /nfs/dbraw/zinc/35/36/39/218353639.db2.gz FOLOFBUYKAGKSX-GJZGRUSLSA-N 2 1 279.428 2.311 20 0 CEADMP C[C@@H](C(=O)NCC[C@@H]1CCC[NH+](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000458181766 380032375 /nfs/dbraw/zinc/03/23/75/380032375.db2.gz ZXMFPDWJIKRAFT-FZKCQIBNSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](C(=O)NCC[C@H]1CCC[NH+](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000458181770 380032435 /nfs/dbraw/zinc/03/24/35/380032435.db2.gz ZXMFPDWJIKRAFT-QKPAOTATSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000347917615 218399794 /nfs/dbraw/zinc/39/97/94/218399794.db2.gz QACYJGLZAQFVRZ-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP COC(=O)C1CC[NH+](CCCNc2cc(C)cc[nH+]2)CC1 ZINC000268345314 190396993 /nfs/dbraw/zinc/39/69/93/190396993.db2.gz SUHATBZIUVJOOG-UHFFFAOYSA-N 2 1 291.395 2.077 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000334365386 380308814 /nfs/dbraw/zinc/30/88/14/380308814.db2.gz OBVVZQCPIMSDSX-KBPBESRZSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)/C=C\C[NH+](C)C)C1 ZINC000491884762 380371884 /nfs/dbraw/zinc/37/18/84/380371884.db2.gz NNCMPKAGMZBTQQ-WKTRQSJXSA-N 2 1 295.471 2.121 20 0 CEADMP CCc1nocc1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334426611 380394278 /nfs/dbraw/zinc/39/42/78/380394278.db2.gz VYFDWIBZHQOROO-OAHLLOKOSA-N 2 1 263.385 2.155 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+]CCC[NH+]1CCCCC1 ZINC000548068440 380484330 /nfs/dbraw/zinc/48/43/30/380484330.db2.gz MPSBNFPSXASECK-KRWDZBQOSA-N 2 1 276.424 2.494 20 0 CEADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000492441301 380556795 /nfs/dbraw/zinc/55/67/95/380556795.db2.gz ZPKCDKGBNXAIGM-MCIONIFRSA-N 2 1 299.459 2.314 20 0 CEADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000492441301 380556802 /nfs/dbraw/zinc/55/68/02/380556802.db2.gz ZPKCDKGBNXAIGM-MCIONIFRSA-N 2 1 299.459 2.314 20 0 CEADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000492441301 380556807 /nfs/dbraw/zinc/55/68/07/380556807.db2.gz ZPKCDKGBNXAIGM-MCIONIFRSA-N 2 1 299.459 2.314 20 0 CEADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000492441301 380556812 /nfs/dbraw/zinc/55/68/12/380556812.db2.gz ZPKCDKGBNXAIGM-MCIONIFRSA-N 2 1 299.459 2.314 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC[C@@H]2C(C)C)CC1 ZINC000552223414 380694273 /nfs/dbraw/zinc/69/42/73/380694273.db2.gz WPTICFLWYCMCNF-SJORKVTESA-N 2 1 281.488 2.428 20 0 CEADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CC[N@@H+](C)C3)ccc21 ZINC000334746791 207007831 /nfs/dbraw/zinc/00/78/31/207007831.db2.gz CIKYSPBDHAKKFT-BBRMVZONSA-N 2 1 287.407 2.126 20 0 CEADMP CCOc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000554888287 380798821 /nfs/dbraw/zinc/79/88/21/380798821.db2.gz BHEDVWPZGYXKDS-HOCLYGCPSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000554888287 380798827 /nfs/dbraw/zinc/79/88/27/380798827.db2.gz BHEDVWPZGYXKDS-HOCLYGCPSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000554888287 380798829 /nfs/dbraw/zinc/79/88/29/380798829.db2.gz BHEDVWPZGYXKDS-HOCLYGCPSA-N 2 1 289.423 2.396 20 0 CEADMP CCOc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000554888287 380798837 /nfs/dbraw/zinc/79/88/37/380798837.db2.gz BHEDVWPZGYXKDS-HOCLYGCPSA-N 2 1 289.423 2.396 20 0 CEADMP Oc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000334866568 207213572 /nfs/dbraw/zinc/21/35/72/207213572.db2.gz AUSNWTUXECPAAI-HOCLYGCPSA-N 2 1 260.381 2.356 20 0 CEADMP FCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000281014167 195069989 /nfs/dbraw/zinc/06/99/89/195069989.db2.gz LQPOECGBAODTKY-ARFHVFGLSA-N 2 1 262.372 2.456 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(F)c2F)CC12CCOCC2 ZINC000335252182 208032610 /nfs/dbraw/zinc/03/26/10/208032610.db2.gz CYPXMBFXCMHYBA-ZDUSSCGKSA-N 2 1 296.361 2.152 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(F)c2F)CC12CCOCC2 ZINC000335252182 208032616 /nfs/dbraw/zinc/03/26/16/208032616.db2.gz CYPXMBFXCMHYBA-ZDUSSCGKSA-N 2 1 296.361 2.152 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccccc1)CC[NH2+]CC2 ZINC000335281888 208091572 /nfs/dbraw/zinc/09/15/72/208091572.db2.gz YIFPKAMTMNNJDC-CQSZACIVSA-N 2 1 287.407 2.089 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000335336858 208220517 /nfs/dbraw/zinc/22/05/17/208220517.db2.gz VAQYOPKRLPPMGQ-FZMZJTMJSA-N 2 1 258.369 2.122 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC000350253705 219003498 /nfs/dbraw/zinc/00/34/98/219003498.db2.gz OLCRVTJOVUYBJR-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)CC[N@H+]1C ZINC000353831283 220354912 /nfs/dbraw/zinc/35/49/12/220354912.db2.gz VRJSINCGMGKMIV-PSGMQZRDSA-N 2 1 294.464 2.137 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000337466856 285148979 /nfs/dbraw/zinc/14/89/79/285148979.db2.gz MEKOXDUKRQVSBP-YESZJQIVSA-N 2 1 298.471 2.282 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000337466856 285148982 /nfs/dbraw/zinc/14/89/82/285148982.db2.gz MEKOXDUKRQVSBP-YESZJQIVSA-N 2 1 298.471 2.282 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000289211376 197263863 /nfs/dbraw/zinc/26/38/63/197263863.db2.gz IPOMRIGDXZLZPQ-GHMZBOCLSA-N 2 1 294.424 2.127 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000337407372 285149456 /nfs/dbraw/zinc/14/94/56/285149456.db2.gz SZSPHCFWHRGZMX-OFQRWUPVSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCCN(C(C)(C)C)CC2)CC[NH2+]1 ZINC000334837872 297399343 /nfs/dbraw/zinc/39/93/43/297399343.db2.gz CRMQRUCQSWWSPW-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H](CN2CCC[N@@H+](C(C)(C)C)CC2)CC[NH2+]1 ZINC000334837872 297399345 /nfs/dbraw/zinc/39/93/45/297399345.db2.gz CRMQRUCQSWWSPW-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@H](CN2CCC[N@H+](C(C)(C)C)CC2)CC[NH2+]1 ZINC000334837872 297399347 /nfs/dbraw/zinc/39/93/47/297399347.db2.gz CRMQRUCQSWWSPW-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP COC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248399724 285353387 /nfs/dbraw/zinc/35/33/87/285353387.db2.gz KCESAWAUXOFDCE-IHRRRGAJSA-N 2 1 254.418 2.264 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N(C)CC1([NH+](C)C)CCC1 ZINC000281540018 195280469 /nfs/dbraw/zinc/28/04/69/195280469.db2.gz RVENVDNTCFRNEK-UHFFFAOYSA-N 2 1 291.395 2.179 20 0 CEADMP COC[C@H](CC(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000359679256 285371505 /nfs/dbraw/zinc/37/15/05/285371505.db2.gz OZZGKSXEVFSIRC-AWEZNQCLSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)C(C)(C)C)[C@@H](C)C1 ZINC000336788549 285397096 /nfs/dbraw/zinc/39/70/96/285397096.db2.gz PQYBGLHJOPWZCF-IHRRRGAJSA-N 2 1 256.434 2.056 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)C(C)(C)C)[C@@H](C)C1 ZINC000336788549 285397098 /nfs/dbraw/zinc/39/70/98/285397098.db2.gz PQYBGLHJOPWZCF-IHRRRGAJSA-N 2 1 256.434 2.056 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)C(C)(C)C)[C@@H](C)C1 ZINC000336788549 285397100 /nfs/dbraw/zinc/39/71/00/285397100.db2.gz PQYBGLHJOPWZCF-IHRRRGAJSA-N 2 1 256.434 2.056 20 0 CEADMP COc1cccc(C[NH2+]CCCCn2cc[nH+]c2C)n1 ZINC000191188570 130198958 /nfs/dbraw/zinc/19/89/58/130198958.db2.gz PBCJKCYDHNCWRH-UHFFFAOYSA-N 2 1 274.368 2.165 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)C[C@@H]21 ZINC000342079812 130242810 /nfs/dbraw/zinc/24/28/10/130242810.db2.gz FFXZHIDJEOFJBU-CWRNSKLLSA-N 2 1 297.402 2.500 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cscn1 ZINC000237396607 131027695 /nfs/dbraw/zinc/02/76/95/131027695.db2.gz SBVCXVZYWNLAQZ-JTQLQIEISA-N 2 1 250.371 2.074 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H](c2ccccc2)O1 ZINC000246247163 394512379 /nfs/dbraw/zinc/51/23/79/394512379.db2.gz JMHOVRAFMLVERO-PBHICJAKSA-N 2 1 274.408 2.448 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)CC[C@H]2CCCC[NH+]2C)C[C@H]1C ZINC000355429523 394451650 /nfs/dbraw/zinc/45/16/50/394451650.db2.gz IPUHVTCRZRMWEE-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1C[C@H](C)N(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC000355429523 394451651 /nfs/dbraw/zinc/45/16/51/394451651.db2.gz IPUHVTCRZRMWEE-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1C[C@H](C)N(C(=O)CC[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC000355429523 394451654 /nfs/dbraw/zinc/45/16/54/394451654.db2.gz IPUHVTCRZRMWEE-OWCLPIDISA-N 2 1 295.471 2.192 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000299990249 394453437 /nfs/dbraw/zinc/45/34/37/394453437.db2.gz KVPOTZBFICPHBV-BFHYXJOUSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000300240755 394454136 /nfs/dbraw/zinc/45/41/36/394454136.db2.gz VRZZYJSHWAJRLL-KFWWJZLASA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000300240755 394454140 /nfs/dbraw/zinc/45/41/40/394454140.db2.gz VRZZYJSHWAJRLL-KFWWJZLASA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)c1[nH+]ccn1CC(=O)Nc1cccc(C[NH3+])c1 ZINC000020030310 394470816 /nfs/dbraw/zinc/47/08/16/394470816.db2.gz OATHEWAIZXCWEI-UHFFFAOYSA-N 2 1 272.352 2.104 20 0 CEADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1OC ZINC000044534881 394506614 /nfs/dbraw/zinc/50/66/14/394506614.db2.gz UIFXAYLCJOFYRO-ZDUSSCGKSA-N 2 1 278.396 2.135 20 0 CEADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1OC ZINC000044534881 394506615 /nfs/dbraw/zinc/50/66/15/394506615.db2.gz UIFXAYLCJOFYRO-ZDUSSCGKSA-N 2 1 278.396 2.135 20 0 CEADMP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000250810592 394565008 /nfs/dbraw/zinc/56/50/08/394565008.db2.gz DHKJSFHQMAHCIO-DZJNRPSUSA-N 3 1 291.483 2.371 20 0 CEADMP C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000250810592 394565011 /nfs/dbraw/zinc/56/50/11/394565011.db2.gz DHKJSFHQMAHCIO-DZJNRPSUSA-N 2 1 291.483 2.371 20 0 CEADMP C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000250810592 394565014 /nfs/dbraw/zinc/56/50/14/394565014.db2.gz DHKJSFHQMAHCIO-DZJNRPSUSA-N 2 1 291.483 2.371 20 0 CEADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000247337518 394529524 /nfs/dbraw/zinc/52/95/24/394529524.db2.gz NIOYDKZMOLYKFX-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CCOC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)C ZINC000310766824 394536006 /nfs/dbraw/zinc/53/60/06/394536006.db2.gz OAIZFQTXRCBQFY-OAHLLOKOSA-N 2 1 254.418 2.264 20 0 CEADMP C([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000091662214 394658260 /nfs/dbraw/zinc/65/82/60/394658260.db2.gz KMNGTBAPLIGJDM-HUUCEWRRSA-N 2 1 252.402 2.020 20 0 CEADMP C([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000091662214 394658265 /nfs/dbraw/zinc/65/82/65/394658265.db2.gz KMNGTBAPLIGJDM-HUUCEWRRSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)nc(C)[nH+]1 ZINC000266245916 394662839 /nfs/dbraw/zinc/66/28/39/394662839.db2.gz MHRZSTLQTQQJPH-AWEZNQCLSA-N 2 1 262.401 2.404 20 0 CEADMP Cc1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)nc(C)[nH+]1 ZINC000266245916 394662843 /nfs/dbraw/zinc/66/28/43/394662843.db2.gz MHRZSTLQTQQJPH-AWEZNQCLSA-N 2 1 262.401 2.404 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)C2(OC)CCCC2)CC1 ZINC000421814121 394603140 /nfs/dbraw/zinc/60/31/40/394603140.db2.gz IQCRWUBUBQNMHO-CYBMUJFWSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000076182783 394615454 /nfs/dbraw/zinc/61/54/54/394615454.db2.gz JWDARQDSAXHDLZ-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H](C[NH+](C)C)C2)CCO1 ZINC000356971663 394667864 /nfs/dbraw/zinc/66/78/64/394667864.db2.gz AJZNOBVKTIURAK-RBSFLKMASA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421890522 394629265 /nfs/dbraw/zinc/62/92/65/394629265.db2.gz VKCJQSGMKIGXFZ-RDBSUJKOSA-N 2 1 268.470 2.450 20 0 CEADMP CCc1cccnc1[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000356905747 394648714 /nfs/dbraw/zinc/64/87/14/394648714.db2.gz VAEWFYLAGGHINV-LBPRGKRZSA-N 2 1 258.369 2.500 20 0 CEADMP CC[C@H](C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[NH+](CC)CC ZINC000265450955 394649102 /nfs/dbraw/zinc/64/91/02/394649102.db2.gz TYIMRZLVZSJYIO-KGLIPLIRSA-N 2 1 295.427 2.119 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1c[nH+]ccc1N ZINC000422708061 394730791 /nfs/dbraw/zinc/73/07/91/394730791.db2.gz BHWAPALWUQCBFW-GFCCVEGCSA-N 2 1 270.380 2.411 20 0 CEADMP C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422713909 394735010 /nfs/dbraw/zinc/73/50/10/394735010.db2.gz KMZBCDPEUMIZQE-RVKKMQEKSA-N 2 1 287.451 2.163 20 0 CEADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000414229262 394736029 /nfs/dbraw/zinc/73/60/29/394736029.db2.gz ZTEKDBFDEGJHEV-UOJCXKCYSA-N 2 1 274.408 2.371 20 0 CEADMP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000414229262 394736033 /nfs/dbraw/zinc/73/60/33/394736033.db2.gz ZTEKDBFDEGJHEV-UOJCXKCYSA-N 2 1 274.408 2.371 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000422715488 394736323 /nfs/dbraw/zinc/73/63/23/394736323.db2.gz MINBFQNMILDKFL-ZFWWWQNUSA-N 2 1 279.403 2.240 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422717122 394737112 /nfs/dbraw/zinc/73/71/12/394737112.db2.gz VLUVADAXCGACEI-WBVHZDCISA-N 2 1 277.456 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414331091 394742091 /nfs/dbraw/zinc/74/20/91/394742091.db2.gz JYNBCLQVVGXICA-HIFRSBDPSA-N 2 1 261.413 2.289 20 0 CEADMP C(C[N@H+]1CCC[C@@H]1CN1CCCCC1)C1CC[NH2+]CC1 ZINC000359207126 394744399 /nfs/dbraw/zinc/74/43/99/394744399.db2.gz AFDZSQYPIWCJQU-QGZVFWFLSA-N 2 1 279.472 2.326 20 0 CEADMP C(CN1CCC[C@@H]1C[NH+]1CCCCC1)C1CC[NH2+]CC1 ZINC000359207126 394744401 /nfs/dbraw/zinc/74/44/01/394744401.db2.gz AFDZSQYPIWCJQU-QGZVFWFLSA-N 2 1 279.472 2.326 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)CCO1 ZINC000356988051 394673005 /nfs/dbraw/zinc/67/30/05/394673005.db2.gz WFDXTKOSJAUABU-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)CCO1 ZINC000356988051 394673007 /nfs/dbraw/zinc/67/30/07/394673007.db2.gz WFDXTKOSJAUABU-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)CCO1 ZINC000356988051 394673012 /nfs/dbraw/zinc/67/30/12/394673012.db2.gz WFDXTKOSJAUABU-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CCO1 ZINC000356988051 394673014 /nfs/dbraw/zinc/67/30/14/394673014.db2.gz WFDXTKOSJAUABU-QKPAOTATSA-N 2 1 266.429 2.218 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(OC)nc2)CC1 ZINC000414068525 394692676 /nfs/dbraw/zinc/69/26/76/394692676.db2.gz QYWCKVPMGYWKGV-ZDUSSCGKSA-N 2 1 277.412 2.095 20 0 CEADMP CC1CCC([N@@H+](CCOCC[NH3+])C[C@@H]2CCCO2)CC1 ZINC000357066070 394694433 /nfs/dbraw/zinc/69/44/33/394694433.db2.gz BNJGCUFRBHACON-GPANFISMSA-N 2 1 284.444 2.021 20 0 CEADMP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000268751712 394698647 /nfs/dbraw/zinc/69/86/47/394698647.db2.gz VNYQCPQMUIYGFE-HUUCEWRRSA-N 2 1 292.423 2.032 20 0 CEADMP CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000357850147 394704335 /nfs/dbraw/zinc/70/43/35/394704335.db2.gz MNZXTUFIVXQZCQ-HZPDHXFCSA-N 3 1 279.472 2.325 20 0 CEADMP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000357850147 394704338 /nfs/dbraw/zinc/70/43/38/394704338.db2.gz MNZXTUFIVXQZCQ-HZPDHXFCSA-N 3 1 279.472 2.325 20 0 CEADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000357850147 394704340 /nfs/dbraw/zinc/70/43/40/394704340.db2.gz MNZXTUFIVXQZCQ-HZPDHXFCSA-N 3 1 279.472 2.325 20 0 CEADMP Cc1cccn2c(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cnc12 ZINC000422561096 394710940 /nfs/dbraw/zinc/71/09/40/394710940.db2.gz IZPCIWJUEZNQML-KFWWJZLASA-N 2 1 286.423 2.448 20 0 CEADMP Cc1[nH]nc2ncc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cc12 ZINC000422559632 394711035 /nfs/dbraw/zinc/71/10/35/394711035.db2.gz DNJROHNGDJSVCW-SUNKGSAMSA-N 2 1 287.411 2.072 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc3c2OCO3)C[C@@H]1C[NH3+] ZINC000422561748 394711471 /nfs/dbraw/zinc/71/14/71/394711471.db2.gz NEEKOTGSXZFQEK-BZPMIXESSA-N 2 1 276.380 2.221 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000414132866 394712264 /nfs/dbraw/zinc/71/22/64/394712264.db2.gz BCUSDSNLVRFEEN-BTFPBAQTSA-N 2 1 254.418 2.261 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)o1 ZINC000422564297 394713060 /nfs/dbraw/zinc/71/30/60/394713060.db2.gz VPHPLQBWTBAWDX-UPJWGTAASA-N 2 1 294.395 2.262 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)o1 ZINC000422564297 394713061 /nfs/dbraw/zinc/71/30/61/394713061.db2.gz VPHPLQBWTBAWDX-UPJWGTAASA-N 2 1 294.395 2.262 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CCCCN2)CC1 ZINC000422735270 394747251 /nfs/dbraw/zinc/74/72/51/394747251.db2.gz DUJQFFDGZNQQJT-GDBMZVCRSA-N 2 1 267.461 2.229 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)cn1 ZINC000414139159 394714403 /nfs/dbraw/zinc/71/44/03/394714403.db2.gz HJVFSEXQJSTMDS-KGLIPLIRSA-N 2 1 279.428 2.340 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cn1 ZINC000414139159 394714406 /nfs/dbraw/zinc/71/44/06/394714406.db2.gz HJVFSEXQJSTMDS-KGLIPLIRSA-N 2 1 279.428 2.340 20 0 CEADMP Cc1cccc2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cn21 ZINC000422634892 394722605 /nfs/dbraw/zinc/72/26/05/394722605.db2.gz KOVQLPRGTJOLSJ-QEJZJMRPSA-N 2 1 286.423 2.448 20 0 CEADMP Cc1cccc2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cn21 ZINC000422634892 394722606 /nfs/dbraw/zinc/72/26/06/394722606.db2.gz KOVQLPRGTJOLSJ-QEJZJMRPSA-N 2 1 286.423 2.448 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000335010856 394726043 /nfs/dbraw/zinc/72/60/43/394726043.db2.gz RIEOLKHOGXSISQ-XJKSGUPXSA-N 2 1 273.424 2.438 20 0 CEADMP C[N@@H+](CCN[C@H]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000422701950 394726684 /nfs/dbraw/zinc/72/66/84/394726684.db2.gz JOYDUCTXMYNWHG-HOCLYGCPSA-N 2 1 267.461 2.358 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@@H]2CCCCC[C@@H]2N)CC1 ZINC000335030939 394728761 /nfs/dbraw/zinc/72/87/61/394728761.db2.gz VCDOBURPEISVAN-PFSRBDOWSA-N 2 1 253.434 2.109 20 0 CEADMP C[C@@H](NCC[N@@H+](C)C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000422704169 394728839 /nfs/dbraw/zinc/72/88/39/394728839.db2.gz OSWUWTWDJDSBLX-GDBMZVCRSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@@H+](C)C1CCCC1 ZINC000422742176 394752930 /nfs/dbraw/zinc/75/29/30/394752930.db2.gz POFLRJRIFKRWPN-QAPCUYQASA-N 2 1 289.467 2.409 20 0 CEADMP Clc1cc2c(c(C[NH2+]C[C@H]3CCC[NH2+]C3)c1)OCC2 ZINC000414822880 394753472 /nfs/dbraw/zinc/75/34/72/394753472.db2.gz CVHOHNKLLQAHLZ-NSHDSACASA-N 2 1 280.799 2.364 20 0 CEADMP CC[NH2+]CC[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000414822711 394753659 /nfs/dbraw/zinc/75/36/59/394753659.db2.gz FMMZYENXZVIIFI-LBPRGKRZSA-N 2 1 268.376 2.212 20 0 CEADMP CC1(C)Cc2cccc(C[NH2+]C[C@H]3CCC[NH2+]C3)c2O1 ZINC000414827422 394755988 /nfs/dbraw/zinc/75/59/88/394755988.db2.gz KRCOMJVQOQUBTM-ZDUSSCGKSA-N 2 1 274.408 2.489 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1C ZINC000414829006 394756526 /nfs/dbraw/zinc/75/65/26/394756526.db2.gz AACBQNWLCCBTSJ-CYBMUJFWSA-N 2 1 272.396 2.126 20 0 CEADMP COc1ccccc1[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000422748159 394756679 /nfs/dbraw/zinc/75/66/79/394756679.db2.gz SGVGMJNYKVIFHT-NUEKZKHPSA-N 2 1 291.439 2.028 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000422748849 394757661 /nfs/dbraw/zinc/75/76/61/394757661.db2.gz WNMYYSGVWSXZLU-VXGBXAGGSA-N 2 1 267.392 2.103 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OC)cc1OC(F)F ZINC000414830249 394757922 /nfs/dbraw/zinc/75/79/22/394757922.db2.gz BZPXARQLIQSHNE-JTQLQIEISA-N 2 1 288.338 2.242 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414830317 394757978 /nfs/dbraw/zinc/75/79/78/394757978.db2.gz AXBYZXNOFHVJJA-DZGCQCFKSA-N 2 1 256.434 2.402 20 0 CEADMP C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422751501 394758367 /nfs/dbraw/zinc/75/83/67/394758367.db2.gz CUOSERRVWZBJMC-BPQIPLTHSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]([NH2+]CCn1cnc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422752787 394760077 /nfs/dbraw/zinc/76/00/77/394760077.db2.gz DCLVSPFVTSCNPO-ZIAGYGMSSA-N 2 1 272.396 2.157 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000414832807 394760392 /nfs/dbraw/zinc/76/03/92/394760392.db2.gz DVPKQJWBJQHVJT-HNNXBMFYSA-N 2 1 263.385 2.108 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422754728 394760884 /nfs/dbraw/zinc/76/08/84/394760884.db2.gz ASEBQNUBBCGECB-QQFBHYJXSA-N 3 1 267.461 2.358 20 0 CEADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414839091 394763784 /nfs/dbraw/zinc/76/37/84/394763784.db2.gz FRWAKMDOVCGKJA-JKSUJKDBSA-N 2 1 280.387 2.115 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000414840300 394764880 /nfs/dbraw/zinc/76/48/80/394764880.db2.gz MYNGOPGIIWCEIJ-NSHDSACASA-N 2 1 276.409 2.150 20 0 CEADMP Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC000335439682 394766902 /nfs/dbraw/zinc/76/69/02/394766902.db2.gz NZCIEAKBJFYNDR-JKSUJKDBSA-N 2 1 260.356 2.498 20 0 CEADMP Fc1ccc2c(c1)[C@@H]([N@H+]1CC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC000335439682 394766905 /nfs/dbraw/zinc/76/69/05/394766905.db2.gz NZCIEAKBJFYNDR-JKSUJKDBSA-N 2 1 260.356 2.498 20 0 CEADMP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335460942 394768985 /nfs/dbraw/zinc/76/89/85/394768985.db2.gz IYZZBWZBWIWNGF-GFCCVEGCSA-N 2 1 299.187 2.385 20 0 CEADMP c1ccc(CSCC[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000414851484 394770505 /nfs/dbraw/zinc/77/05/05/394770505.db2.gz ULFCAJYJJMWAGE-CQSZACIVSA-N 2 1 250.411 2.261 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422769144 394771027 /nfs/dbraw/zinc/77/10/27/394771027.db2.gz UOTLFXCZHFRIGG-NJAFHUGGSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000422769144 394771032 /nfs/dbraw/zinc/77/10/32/394771032.db2.gz UOTLFXCZHFRIGG-NJAFHUGGSA-N 2 1 287.451 2.239 20 0 CEADMP COCCOc1cccc(C[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000414854372 394772260 /nfs/dbraw/zinc/77/22/60/394772260.db2.gz UXYWBLLVWGRVSS-OAHLLOKOSA-N 2 1 280.412 2.175 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422769980 394772597 /nfs/dbraw/zinc/77/25/97/394772597.db2.gz VUXUNHDCOLEOJH-QXSJWSMHSA-N 2 1 281.488 2.460 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000422772036 394773197 /nfs/dbraw/zinc/77/31/97/394773197.db2.gz XZRHMTLZVGAABU-KBPBESRZSA-N 3 1 255.450 2.214 20 0 CEADMP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000422772036 394773199 /nfs/dbraw/zinc/77/31/99/394773199.db2.gz XZRHMTLZVGAABU-KBPBESRZSA-N 3 1 255.450 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422772041 394773251 /nfs/dbraw/zinc/77/32/51/394773251.db2.gz YADUQQAEDTUROF-FZKCQIBNSA-N 2 1 281.488 2.331 20 0 CEADMP COc1cc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)ccc1C ZINC000422776477 394776660 /nfs/dbraw/zinc/77/66/60/394776660.db2.gz DRPJSDXSQGETEB-SWLSCSKDSA-N 2 1 262.397 2.134 20 0 CEADMP C[N@H+](CCOC1CCCCCC1)[C@H](C[NH3+])C1CC1 ZINC000359905691 394779932 /nfs/dbraw/zinc/77/99/32/394779932.db2.gz UZOSJVMEJYQBFN-OAHLLOKOSA-N 2 1 254.418 2.395 20 0 CEADMP C[N@@H+](CCOC1CCCCCC1)[C@H](C[NH3+])C1CC1 ZINC000359905691 394779934 /nfs/dbraw/zinc/77/99/34/394779934.db2.gz UZOSJVMEJYQBFN-OAHLLOKOSA-N 2 1 254.418 2.395 20 0 CEADMP CCC[NH2+]CC[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000414873443 394781892 /nfs/dbraw/zinc/78/18/92/394781892.db2.gz RFJWQPAPGZCKCQ-CYBMUJFWSA-N 2 1 278.396 2.326 20 0 CEADMP Cc1ncc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)n1-c1ccccc1 ZINC000414955851 394823910 /nfs/dbraw/zinc/82/39/10/394823910.db2.gz UUMCDAUGIBKZHN-HIFRSBDPSA-N 2 1 284.407 2.411 20 0 CEADMP C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422785968 394784072 /nfs/dbraw/zinc/78/40/72/394784072.db2.gz PWNKAXBJZNPSKH-PVAVHDDUSA-N 2 1 276.424 2.273 20 0 CEADMP C[C@@H](CC[NH3+])NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414883021 394786949 /nfs/dbraw/zinc/78/69/49/394786949.db2.gz MNXJRHDGOMOHJK-HNNXBMFYSA-N 2 1 277.456 2.472 20 0 CEADMP C[C@@H](CC[NH3+])[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414883021 394786950 /nfs/dbraw/zinc/78/69/50/394786950.db2.gz MNXJRHDGOMOHJK-HNNXBMFYSA-N 3 1 277.456 2.472 20 0 CEADMP C[C@@H](CC[NH3+])[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414883021 394786951 /nfs/dbraw/zinc/78/69/51/394786951.db2.gz MNXJRHDGOMOHJK-HNNXBMFYSA-N 3 1 277.456 2.472 20 0 CEADMP C[C@H](CC[NH3+])[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000414885621 394788396 /nfs/dbraw/zinc/78/83/96/394788396.db2.gz OXQVEWBFNSFXKA-GFCCVEGCSA-N 2 1 265.376 2.253 20 0 CEADMP Cc1cccc(O[C@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422790608 394788515 /nfs/dbraw/zinc/78/85/15/394788515.db2.gz PLRDBVZPTRMQRL-IIAWOOMASA-N 2 1 262.397 2.492 20 0 CEADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H]2C[C@@H]2C)cc1 ZINC000414886903 394788795 /nfs/dbraw/zinc/78/87/95/394788795.db2.gz QCBCOTVPKCBCQP-CSFVBSKPSA-N 2 1 274.408 2.386 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC1([NH+](C)C)CCCC1 ZINC000422792229 394790357 /nfs/dbraw/zinc/79/03/57/394790357.db2.gz VULPCCARJYXATA-CYBMUJFWSA-N 2 1 290.455 2.374 20 0 CEADMP Cc1ccccc1O[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422794699 394791807 /nfs/dbraw/zinc/79/18/07/394791807.db2.gz URCHDTUUYZDVJH-ILXRZTDVSA-N 2 1 262.397 2.492 20 0 CEADMP CCCOc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1OC ZINC000414896357 394793766 /nfs/dbraw/zinc/79/37/66/394793766.db2.gz OSTYRFJROBMWJH-AWEZNQCLSA-N 2 1 278.396 2.311 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1cc(F)cc2cccnc21)C1CC1 ZINC000414900175 394795911 /nfs/dbraw/zinc/79/59/11/394795911.db2.gz VSLFLOOATFHVSY-AWEZNQCLSA-N 2 1 259.328 2.201 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NCCC[N@H+]1CCc2ccccc2C1 ZINC000422802514 394797851 /nfs/dbraw/zinc/79/78/51/394797851.db2.gz DLQQSKZCPRJEMB-GJZGRUSLSA-N 2 1 275.440 2.150 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCN1CCc2ccccc2C1 ZINC000422802514 394797854 /nfs/dbraw/zinc/79/78/54/394797854.db2.gz DLQQSKZCPRJEMB-GJZGRUSLSA-N 2 1 275.440 2.150 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1O ZINC000414907397 394799120 /nfs/dbraw/zinc/79/91/20/394799120.db2.gz ASFHWPWMWQWABO-KCQAQPDRSA-N 2 1 292.423 2.310 20 0 CEADMP COc1cc2c(c(C[NH2+]CC[C@H]3CCC[NH2+]3)c1)O[C@@H](C)C2 ZINC000414908467 394800117 /nfs/dbraw/zinc/80/01/17/394800117.db2.gz RWTQEHWIEWVECV-SWLSCSKDSA-N 2 1 290.407 2.250 20 0 CEADMP C[N@@H+](CCCN[C@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000422809247 394801747 /nfs/dbraw/zinc/80/17/47/394801747.db2.gz ROGZALCXDOTTFQ-CABCVRRESA-N 2 1 253.434 2.110 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422812734 394805029 /nfs/dbraw/zinc/80/50/29/394805029.db2.gz WUABWLNEDLQZPQ-YUMQZZPRSA-N 2 1 279.331 2.174 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000414925918 394806128 /nfs/dbraw/zinc/80/61/28/394806128.db2.gz KKMDEUNLDMAEOU-IPYPFGDCSA-N 2 1 292.423 2.222 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414928454 394807037 /nfs/dbraw/zinc/80/70/37/394807037.db2.gz NGEFYDDPNREVBQ-DTWKUNHWSA-N 2 1 289.192 2.456 20 0 CEADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000414938412 394811537 /nfs/dbraw/zinc/81/15/37/394811537.db2.gz YJQWHLXYCIRVSS-CYBMUJFWSA-N 2 1 289.414 2.084 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000414941743 394814555 /nfs/dbraw/zinc/81/45/55/394814555.db2.gz YVGZLTBGBRHJQA-GOEBONIOSA-N 2 1 262.397 2.433 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000414945801 394816408 /nfs/dbraw/zinc/81/64/08/394816408.db2.gz IWRWZQKWRNVMPW-ZYHUDNBSSA-N 2 1 252.333 2.064 20 0 CEADMP CCCn1nc(C)c(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1C ZINC000414950360 394820723 /nfs/dbraw/zinc/82/07/23/394820723.db2.gz ONJUKGPQNYKRMN-BXUZGUMPSA-N 2 1 264.417 2.140 20 0 CEADMP FC(F)(F)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415047235 394862705 /nfs/dbraw/zinc/86/27/05/394862705.db2.gz VUXBAHGZMAAOBT-CYBMUJFWSA-N 2 1 288.313 2.174 20 0 CEADMP c1ccc2c(c1)cccc2C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415047676 394863873 /nfs/dbraw/zinc/86/38/73/394863873.db2.gz WBTBRZHWEVGXFR-INIZCTEOSA-N 2 1 270.376 2.308 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])c1cccc(Cl)c1 ZINC000422925153 394864494 /nfs/dbraw/zinc/86/44/94/394864494.db2.gz ZUTCFHHCOZWGAM-HZSPNIEDSA-N 2 1 268.788 2.497 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000422929108 394865423 /nfs/dbraw/zinc/86/54/23/394865423.db2.gz OHKAPPLGFAJVFK-HOTUBEGUSA-N 2 1 254.761 2.489 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1F ZINC000415056988 394867380 /nfs/dbraw/zinc/86/73/80/394867380.db2.gz RPONFCMFMFGXKW-XUJVJEKNSA-N 2 1 280.387 2.434 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1F ZINC000415056988 394867384 /nfs/dbraw/zinc/86/73/84/394867384.db2.gz RPONFCMFMFGXKW-XUJVJEKNSA-N 2 1 280.387 2.434 20 0 CEADMP COc1ccc(CC[NH2+]CC[NH2+]C(C)(C)C)cc1F ZINC000415089189 394885037 /nfs/dbraw/zinc/88/50/37/394885037.db2.gz YLKCTWUAQATIIL-UHFFFAOYSA-N 2 1 268.376 2.355 20 0 CEADMP CCC[C@@H](C)C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415061592 394869764 /nfs/dbraw/zinc/86/97/64/394869764.db2.gz YSOPIDPZFXWWRB-QQFBHYJXSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccn(-c2ccccc2)n1 ZINC000129951352 394877095 /nfs/dbraw/zinc/87/70/95/394877095.db2.gz DDPNTMWPRWXIRL-PBHICJAKSA-N 2 1 284.407 2.302 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)C[C@H](C)[NH3+])C1 ZINC000422993574 394877396 /nfs/dbraw/zinc/87/73/96/394877396.db2.gz GBRXJEOELZZRTR-RRFJBIMHSA-N 2 1 255.450 2.070 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000422993574 394877398 /nfs/dbraw/zinc/87/73/98/394877398.db2.gz GBRXJEOELZZRTR-RRFJBIMHSA-N 3 1 255.450 2.070 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000422993574 394877399 /nfs/dbraw/zinc/87/73/99/394877399.db2.gz GBRXJEOELZZRTR-RRFJBIMHSA-N 3 1 255.450 2.070 20 0 CEADMP CC[C@H]([NH2+]CCc1cccc(OC)n1)[C@@H]1CCCC[NH2+]1 ZINC000423010664 394880468 /nfs/dbraw/zinc/88/04/68/394880468.db2.gz YEPXAZHAZPUUFF-GJZGRUSLSA-N 2 1 277.412 2.143 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422856745 394832827 /nfs/dbraw/zinc/83/28/27/394832827.db2.gz GAURJJZUVIBXGF-WMLDXEAASA-N 2 1 284.407 2.002 20 0 CEADMP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414978720 394834682 /nfs/dbraw/zinc/83/46/82/394834682.db2.gz SHLOPOZIOKJXFP-ZWKOTPCHSA-N 2 1 289.467 2.281 20 0 CEADMP C[C@H](CCC1CCCCC1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414980843 394835461 /nfs/dbraw/zinc/83/54/61/394835461.db2.gz WZNGFMYZBNMACL-GDBMZVCRSA-N 2 1 267.461 2.229 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000422862073 394836330 /nfs/dbraw/zinc/83/63/30/394836330.db2.gz JUEAZKWCBYAWGH-OSAQELSMSA-N 2 1 288.439 2.125 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000422862073 394836332 /nfs/dbraw/zinc/83/63/32/394836332.db2.gz JUEAZKWCBYAWGH-OSAQELSMSA-N 2 1 288.439 2.125 20 0 CEADMP C[C@@H](N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422864373 394837083 /nfs/dbraw/zinc/83/70/83/394837083.db2.gz UVJMVWWIYUBBGT-YCPHGPKFSA-N 2 1 265.445 2.124 20 0 CEADMP C[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000422866240 394837764 /nfs/dbraw/zinc/83/77/64/394837764.db2.gz PXGQOFZVFTZGJC-KLHDSHLOSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])N1CCC[C@@H](C)C1 ZINC000422866240 394837770 /nfs/dbraw/zinc/83/77/70/394837770.db2.gz PXGQOFZVFTZGJC-KLHDSHLOSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000422868104 394839234 /nfs/dbraw/zinc/83/92/34/394839234.db2.gz UKUIMDXTHXARAG-UGUYLWEFSA-N 2 1 267.461 2.227 20 0 CEADMP COCCOc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422868480 394839820 /nfs/dbraw/zinc/83/98/20/394839820.db2.gz VEPKLAUJABYZCQ-DLBZAZTESA-N 2 1 292.423 2.461 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422870177 394840580 /nfs/dbraw/zinc/84/05/80/394840580.db2.gz BIBWQVFIMMXVKG-JKQORVJESA-N 2 1 275.440 2.365 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422870177 394840581 /nfs/dbraw/zinc/84/05/81/394840581.db2.gz BIBWQVFIMMXVKG-JKQORVJESA-N 2 1 275.440 2.365 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423025816 394883418 /nfs/dbraw/zinc/88/34/18/394883418.db2.gz ACBIBFORWMHDLC-UAGQMJEPSA-N 2 1 276.424 2.100 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422880339 394846949 /nfs/dbraw/zinc/84/69/49/394846949.db2.gz WTUZDZQRLCDUAD-HSHDSVGOSA-N 2 1 271.408 2.204 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1Br ZINC000415008105 394847483 /nfs/dbraw/zinc/84/74/83/394847483.db2.gz MKJPTCPFAXTVFE-BDAKNGLRSA-N 2 1 287.201 2.283 20 0 CEADMP C[C@H]1CCC[C@H](C)N1CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422883810 394847888 /nfs/dbraw/zinc/84/78/88/394847888.db2.gz CXRQJLJRYIZFCV-UGUYLWEFSA-N 2 1 267.461 2.227 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC000415012012 394848379 /nfs/dbraw/zinc/84/83/79/394848379.db2.gz RTSMHZQTHIHWOD-YDZRNGNQSA-N 3 1 299.462 2.457 20 0 CEADMP COCc1cccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422887423 394850175 /nfs/dbraw/zinc/85/01/75/394850175.db2.gz YPLSXXBSTMEHTM-GFCCVEGCSA-N 2 1 271.364 2.491 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415018877 394850411 /nfs/dbraw/zinc/85/04/11/394850411.db2.gz HFVAGWFQCHZRAL-BMFZPTHFSA-N 3 1 261.413 2.197 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000415016253 394850830 /nfs/dbraw/zinc/85/08/30/394850830.db2.gz CBZQGASSHHVSPW-GFCCVEGCSA-N 2 1 258.369 2.294 20 0 CEADMP CC(C)c1csc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])n1 ZINC000422890747 394853240 /nfs/dbraw/zinc/85/32/40/394853240.db2.gz JDECWEZGAWPMAS-QJPTWQEYSA-N 2 1 283.441 2.108 20 0 CEADMP C[C@@H]1C[C@H](CN2CC[N@@H+](C)Cc3ccccc32)CC[NH2+]1 ZINC000415092445 394887000 /nfs/dbraw/zinc/88/70/00/394887000.db2.gz ANBZUMGWXLUIAJ-HUUCEWRRSA-N 2 1 273.424 2.327 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@H]1CCO[C@@H]1c1ccnn1C(C)C ZINC000415093198 394887182 /nfs/dbraw/zinc/88/71/82/394887182.db2.gz BZHOPUVARARCAI-YCPHGPKFSA-N 2 1 294.443 2.257 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423177968 394887296 /nfs/dbraw/zinc/88/72/96/394887296.db2.gz BJRZBWIYQUNPTL-GVDBMIGSSA-N 2 1 273.424 2.164 20 0 CEADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000423190655 394887378 /nfs/dbraw/zinc/88/73/78/394887378.db2.gz RHCHVWICFONPJV-HZPDHXFCSA-N 2 1 259.397 2.340 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c2ccccc21 ZINC000423196112 394887742 /nfs/dbraw/zinc/88/77/42/394887742.db2.gz YXBNDHQPPUKJRX-CRWXNKLISA-N 2 1 282.334 2.270 20 0 CEADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CC(C)(C)[NH3+])CC2 ZINC000423287830 394889349 /nfs/dbraw/zinc/88/93/49/394889349.db2.gz OTHYADIWFKWMOL-LBPRGKRZSA-N 2 1 264.369 2.018 20 0 CEADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C1CC1 ZINC000364382788 394895956 /nfs/dbraw/zinc/89/59/56/394895956.db2.gz PCAGQKIQCFAJHR-VDERGJSUSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C1CC1 ZINC000364382788 394895959 /nfs/dbraw/zinc/89/59/59/394895959.db2.gz PCAGQKIQCFAJHR-VDERGJSUSA-N 2 1 266.429 2.264 20 0 CEADMP CCCNC(=O)C1([NH2+]C[C@H]([NH3+])CC(C)C)CCCCC1 ZINC000415122082 394896806 /nfs/dbraw/zinc/89/68/06/394896806.db2.gz ZPFKQNVVRMAANV-CQSZACIVSA-N 2 1 283.460 2.179 20 0 CEADMP C(C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423355851 394898739 /nfs/dbraw/zinc/89/87/39/394898739.db2.gz IQEJMPJTTRDFQQ-KLHDSHLOSA-N 3 1 265.445 2.029 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)nc2)C[C@@H]1C[NH3+] ZINC000415125858 394899409 /nfs/dbraw/zinc/89/94/09/394899409.db2.gz LLRUZYHODTVEMA-HOCLYGCPSA-N 2 1 288.439 2.099 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000423373053 394906132 /nfs/dbraw/zinc/90/61/32/394906132.db2.gz GZSVVSUXDDQZED-RBGFHDKUSA-N 3 1 265.445 2.027 20 0 CEADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)C[NH3+])c2ccccc21 ZINC000423384425 394908268 /nfs/dbraw/zinc/90/82/68/394908268.db2.gz FXZBHIGWXAQYEM-TUKIKUTGSA-N 2 1 276.380 2.105 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[NH3+])c2ccccc21 ZINC000423384424 394908421 /nfs/dbraw/zinc/90/84/21/394908421.db2.gz FXZBHIGWXAQYEM-NILFDRSVSA-N 2 1 276.380 2.105 20 0 CEADMP CC[N@@H+](CC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)C1CC1 ZINC000131384587 394909341 /nfs/dbraw/zinc/90/93/41/394909341.db2.gz FZFKBAOYVBHYAX-WMLDXEAASA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@@H+](C)CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423392733 394912118 /nfs/dbraw/zinc/91/21/18/394912118.db2.gz LYIOLBYITXWHPE-OAHLLOKOSA-N 2 1 291.439 2.169 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc(OC)c1 ZINC000131532931 394913584 /nfs/dbraw/zinc/91/35/84/394913584.db2.gz PMAGAHAIPGUFSN-DGCLKSJQSA-N 2 1 264.369 2.015 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc(OC)c1 ZINC000131532931 394913585 /nfs/dbraw/zinc/91/35/85/394913585.db2.gz PMAGAHAIPGUFSN-DGCLKSJQSA-N 2 1 264.369 2.015 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423398127 394914686 /nfs/dbraw/zinc/91/46/86/394914686.db2.gz TZBZWNPXZONNRT-HNNXBMFYSA-N 2 1 283.460 2.132 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cn1 ZINC000423397881 394914829 /nfs/dbraw/zinc/91/48/29/394914829.db2.gz VDBNLEFILFZHPU-ZFWWWQNUSA-N 2 1 291.439 2.389 20 0 CEADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@]2(COC)CCC[NH2+]2)C1(C)C ZINC000423422858 394919056 /nfs/dbraw/zinc/91/90/56/394919056.db2.gz ZIERLIZYOVZLJE-INMHGKMJSA-N 2 1 298.471 2.328 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])CC2CCCCC2)CC[N@H+]1C ZINC000423430843 394920524 /nfs/dbraw/zinc/92/05/24/394920524.db2.gz UPYRIHCFSWSFBK-KBMXLJTQSA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000423441229 394921517 /nfs/dbraw/zinc/92/15/17/394921517.db2.gz BDCOGXNMFUWNRP-ZWNOBZJWSA-N 2 1 252.333 2.149 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCCS2 ZINC000423443107 394922133 /nfs/dbraw/zinc/92/21/33/394922133.db2.gz VLBJLORJWGNRHK-CTASWTNQSA-N 2 1 290.432 2.430 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c2ccccc21 ZINC000423483482 394931545 /nfs/dbraw/zinc/93/15/45/394931545.db2.gz XWEMYUKLXZIIRZ-KOZAUXTDSA-N 2 1 290.407 2.494 20 0 CEADMP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423506583 394940081 /nfs/dbraw/zinc/94/00/81/394940081.db2.gz HFHPPDJQEPXRIM-NEPJUHHUSA-N 2 1 254.399 2.086 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000423522062 394943822 /nfs/dbraw/zinc/94/38/22/394943822.db2.gz RGRYVKFHBYJVHY-KZNAEPCWSA-N 2 1 287.451 2.206 20 0 CEADMP Cn1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340190825 394980689 /nfs/dbraw/zinc/98/06/89/394980689.db2.gz MCKKVPXQULBYNE-ROUUACIJSA-N 2 1 298.434 2.388 20 0 CEADMP Cn1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340190825 394980692 /nfs/dbraw/zinc/98/06/92/394980692.db2.gz MCKKVPXQULBYNE-ROUUACIJSA-N 2 1 298.434 2.388 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CC(F)F)C[C@@H]1c1ccccc1 ZINC000340368063 394985231 /nfs/dbraw/zinc/98/52/31/394985231.db2.gz AAPRTKWXGVRKKY-SOUVJXGZSA-N 2 1 298.377 2.428 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)CC(F)F)C[C@@H]1c1ccccc1 ZINC000340368063 394985235 /nfs/dbraw/zinc/98/52/35/394985235.db2.gz AAPRTKWXGVRKKY-SOUVJXGZSA-N 2 1 298.377 2.428 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@]1(C)CCCO1 ZINC000340509027 394987218 /nfs/dbraw/zinc/98/72/18/394987218.db2.gz JQYFVJAZLGMSSX-BZUAXINKSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@]1(C)CCCO1 ZINC000340509027 394987221 /nfs/dbraw/zinc/98/72/21/394987221.db2.gz JQYFVJAZLGMSSX-BZUAXINKSA-N 2 1 284.444 2.035 20 0 CEADMP CCOC1CC(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000367545028 394965314 /nfs/dbraw/zinc/96/53/14/394965314.db2.gz RMSTXIHNIJBSNE-UHFFFAOYSA-N 2 1 291.439 2.490 20 0 CEADMP CCC(CC)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C(=O)OC ZINC000367740846 394970491 /nfs/dbraw/zinc/97/04/91/394970491.db2.gz QNZRQAVKWGCTIG-ZNMIVQPWSA-N 2 1 296.455 2.428 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)Nc1ccccc1C[NH2+]C ZINC000415912304 394976376 /nfs/dbraw/zinc/97/63/76/394976376.db2.gz LHHRDPXAJISXET-UHFFFAOYSA-N 2 1 292.427 2.259 20 0 CEADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)C[C@@H](F)CC ZINC000344136078 395050810 /nfs/dbraw/zinc/05/08/10/395050810.db2.gz UATWMLGJQCWGLF-HNNXBMFYSA-N 2 1 273.440 2.084 20 0 CEADMP CC[C@@H]1COCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000161928730 395068393 /nfs/dbraw/zinc/06/83/93/395068393.db2.gz PBRZHBHUCLOUGQ-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CC[C@@H]1COCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000161928730 395068394 /nfs/dbraw/zinc/06/83/94/395068394.db2.gz PBRZHBHUCLOUGQ-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CCCCCNC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075179 395071967 /nfs/dbraw/zinc/07/19/67/395071967.db2.gz QQYNUKVKFNTEAG-UHFFFAOYSA-N 2 1 295.471 2.101 20 0 CEADMP C[N@@H+](CCc1nccs1)CC[C@H]1CCC[NH+]1C ZINC000162642925 395078222 /nfs/dbraw/zinc/07/82/22/395078222.db2.gz PQJQKKWQJPDMDK-GFCCVEGCSA-N 2 1 253.415 2.102 20 0 CEADMP C[N@H+](CCc1nccs1)CC[C@H]1CCC[NH+]1C ZINC000162642925 395078225 /nfs/dbraw/zinc/07/82/25/395078225.db2.gz PQJQKKWQJPDMDK-GFCCVEGCSA-N 2 1 253.415 2.102 20 0 CEADMP C[NH+](CCc1nccs1)CC[C@H]1CCC[N@@H+]1C ZINC000162642925 395078227 /nfs/dbraw/zinc/07/82/27/395078227.db2.gz PQJQKKWQJPDMDK-GFCCVEGCSA-N 2 1 253.415 2.102 20 0 CEADMP C[NH+](CCc1nccs1)CC[C@H]1CCC[N@H+]1C ZINC000162642925 395078229 /nfs/dbraw/zinc/07/82/29/395078229.db2.gz PQJQKKWQJPDMDK-GFCCVEGCSA-N 2 1 253.415 2.102 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC(=O)OC(C)(C)C ZINC000163571918 395084404 /nfs/dbraw/zinc/08/44/04/395084404.db2.gz WIDWDIAVBQYNAH-FRRDWIJNSA-N 2 1 270.417 2.037 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2COc3c(C)cccc3C2)CC1 ZINC000290271597 395097144 /nfs/dbraw/zinc/09/71/44/395097144.db2.gz WFUXRLDZHGULMD-INIZCTEOSA-N 2 1 274.408 2.372 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)CC[N@@H+]1C ZINC000156224656 395031298 /nfs/dbraw/zinc/03/12/98/395031298.db2.gz OTXXCSXYULVPBR-ZFWWWQNUSA-N 2 1 290.407 2.420 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)CC[N@H+]1C ZINC000156224656 395031304 /nfs/dbraw/zinc/03/13/04/395031304.db2.gz OTXXCSXYULVPBR-ZFWWWQNUSA-N 2 1 290.407 2.420 20 0 CEADMP COCCc1ccnc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000287369417 395039535 /nfs/dbraw/zinc/03/95/35/395039535.db2.gz HRWHIBSHBTXKJZ-HUUCEWRRSA-N 2 1 275.396 2.309 20 0 CEADMP CC(C)C[C@H](CO)[N@@H+](C)Cc1cccc2nccn21 ZINC000290574314 395109300 /nfs/dbraw/zinc/10/93/00/395109300.db2.gz UBKOGGVEUQJGFZ-CQSZACIVSA-N 2 1 261.369 2.173 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@H]1CCC[NH2+]C1 ZINC000346829937 395109670 /nfs/dbraw/zinc/10/96/70/395109670.db2.gz OQFJOXSGLFLIHT-AEFFLSMTSA-N 2 1 287.451 2.192 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428038890 395134105 /nfs/dbraw/zinc/13/41/05/395134105.db2.gz ZWZQCLKHHPVTLT-CVEARBPZSA-N 2 1 274.408 2.366 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428038890 395134109 /nfs/dbraw/zinc/13/41/09/395134109.db2.gz ZWZQCLKHHPVTLT-CVEARBPZSA-N 2 1 274.408 2.366 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)C2(C)CC2)CC1 ZINC000177232182 395147976 /nfs/dbraw/zinc/14/79/76/395147976.db2.gz GTGYWXAQYSLALJ-CQSZACIVSA-N 2 1 295.471 2.096 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000379243803 395161572 /nfs/dbraw/zinc/16/15/72/395161572.db2.gz YAUXIRJBNVUUGY-HOTGVXAUSA-N 2 1 260.381 2.060 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(C1)CCCCC2 ZINC000382043951 395178903 /nfs/dbraw/zinc/17/89/03/395178903.db2.gz UZXMPWUKQRGTFV-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000382043951 395178907 /nfs/dbraw/zinc/17/89/07/395178907.db2.gz UZXMPWUKQRGTFV-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC2(C1)CCCCC2 ZINC000382043951 395178912 /nfs/dbraw/zinc/17/89/12/395178912.db2.gz UZXMPWUKQRGTFV-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000399183639 395242413 /nfs/dbraw/zinc/24/24/13/395242413.db2.gz UFOYKNAAJMAHBQ-ORQFMDKSSA-N 2 1 276.424 2.038 20 0 CEADMP Fc1ccc([C@@H]2C[N@H+](CCn3ccnc3)CCO2)cc1 ZINC000179313897 395190979 /nfs/dbraw/zinc/19/09/79/395190979.db2.gz MTNSNWLUBFNMPQ-HNNXBMFYSA-N 2 1 275.327 2.096 20 0 CEADMP Fc1ccc([C@@H]2C[N@@H+](CCn3ccnc3)CCO2)cc1 ZINC000179313897 395190982 /nfs/dbraw/zinc/19/09/82/395190982.db2.gz MTNSNWLUBFNMPQ-HNNXBMFYSA-N 2 1 275.327 2.096 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)CC[N@H+]1C ZINC000433098171 395197545 /nfs/dbraw/zinc/19/75/45/395197545.db2.gz SFRQZTKKOXVUHD-KGLIPLIRSA-N 2 1 266.429 2.002 20 0 CEADMP C(C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1)[C@@H]1CCC[NH2+]C1 ZINC000519654542 395203572 /nfs/dbraw/zinc/20/35/72/395203572.db2.gz TXTXCWSOHUPSEB-HRCADAONSA-N 2 1 266.429 2.267 20 0 CEADMP C(C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000438178090 395209072 /nfs/dbraw/zinc/20/90/72/395209072.db2.gz OEGUEWZTLCJLIG-CVEARBPZSA-N 2 1 266.429 2.267 20 0 CEADMP C(C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000438178090 395209078 /nfs/dbraw/zinc/20/90/78/395209078.db2.gz OEGUEWZTLCJLIG-CVEARBPZSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]CC[C@H]1CCOC1 ZINC000438183627 395209135 /nfs/dbraw/zinc/20/91/35/395209135.db2.gz AEVWJAODTJNLCE-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]CC[C@H]1CCOC1 ZINC000438183627 395209141 /nfs/dbraw/zinc/20/91/41/395209141.db2.gz AEVWJAODTJNLCE-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP COc1ccccc1OCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397307910 395221511 /nfs/dbraw/zinc/22/15/11/395221511.db2.gz NJABACVVPMXZPP-KKUMJFAQSA-N 2 1 292.423 2.379 20 0 CEADMP Cc1noc(C)c1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397315196 395223017 /nfs/dbraw/zinc/22/30/17/395223017.db2.gz QOGWWMLCGQEFOE-NRUUGDAUSA-N 2 1 251.374 2.097 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CC(C)(C)C)C1CC1 ZINC000351442499 395223340 /nfs/dbraw/zinc/22/33/40/395223340.db2.gz KYJLISKBWWOVGD-LSDHHAIUSA-N 2 1 268.445 2.342 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CC(C)(C)C)C1CC1 ZINC000351442499 395223345 /nfs/dbraw/zinc/22/33/45/395223345.db2.gz KYJLISKBWWOVGD-LSDHHAIUSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]1CC(C)(C)C)C1CC1 ZINC000351442499 395223349 /nfs/dbraw/zinc/22/33/49/395223349.db2.gz KYJLISKBWWOVGD-LSDHHAIUSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]1CC(C)(C)C)C1CC1 ZINC000351442499 395223351 /nfs/dbraw/zinc/22/33/51/395223351.db2.gz KYJLISKBWWOVGD-LSDHHAIUSA-N 2 1 268.445 2.342 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000420323952 395326101 /nfs/dbraw/zinc/32/61/01/395326101.db2.gz USJBECPOZWVDGV-RDJZCZTQSA-N 2 1 292.423 2.238 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434424759 395297716 /nfs/dbraw/zinc/29/77/16/395297716.db2.gz KLVMWMBTTSFOFN-ZFWWWQNUSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCOC1 ZINC000354330470 395326309 /nfs/dbraw/zinc/32/63/09/395326309.db2.gz OPOZQKWCIUMCME-IHRRRGAJSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCOC1 ZINC000354330470 395326312 /nfs/dbraw/zinc/32/63/12/395326312.db2.gz OPOZQKWCIUMCME-IHRRRGAJSA-N 2 1 252.402 2.018 20 0 CEADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353531144 395299780 /nfs/dbraw/zinc/29/97/80/395299780.db2.gz VCZCCLXYURSEGW-KLHDSHLOSA-N 2 1 268.445 2.246 20 0 CEADMP C[C@H]([NH3+])CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000420323730 395326304 /nfs/dbraw/zinc/32/63/04/395326304.db2.gz UQSFRWWYVJIDTL-STQMWFEESA-N 2 1 281.831 2.366 20 0 CEADMP CCOC[C@@H]1CC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420294541 395301102 /nfs/dbraw/zinc/30/11/02/395301102.db2.gz BAPFXWKGAOODPB-GDBMZVCRSA-N 2 1 292.423 2.096 20 0 CEADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000420300489 395305467 /nfs/dbraw/zinc/30/54/67/395305467.db2.gz HQCLJTAKIQRDGN-LSDHHAIUSA-N 2 1 290.407 2.148 20 0 CEADMP OCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000420303432 395307728 /nfs/dbraw/zinc/30/77/28/395307728.db2.gz NITVSVNIVYWVPL-MAUKXSAKSA-N 2 1 288.435 2.358 20 0 CEADMP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000353991212 395312653 /nfs/dbraw/zinc/31/26/53/395312653.db2.gz ADBRXBBEYFHYKO-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP C(CN1CCCCC1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420309692 395312908 /nfs/dbraw/zinc/31/29/08/395312908.db2.gz FEXMLRGETXFEJY-KRWDZBQOSA-N 2 1 279.472 2.184 20 0 CEADMP C(CN1CCC([C@H]2CC[NH2+]C2)CC1)C[NH+]1CCCCC1 ZINC000420309692 395312913 /nfs/dbraw/zinc/31/29/13/395312913.db2.gz FEXMLRGETXFEJY-KRWDZBQOSA-N 2 1 279.472 2.184 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420309049 395313010 /nfs/dbraw/zinc/31/30/10/395313010.db2.gz DIMQUIBAKZTYAI-JKSUJKDBSA-N 2 1 288.439 2.123 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)[nH+]1 ZINC000420309049 395313016 /nfs/dbraw/zinc/31/30/16/395313016.db2.gz DIMQUIBAKZTYAI-JKSUJKDBSA-N 3 1 288.439 2.123 20 0 CEADMP Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)[nH+]1 ZINC000420309049 395313021 /nfs/dbraw/zinc/31/30/21/395313021.db2.gz DIMQUIBAKZTYAI-JKSUJKDBSA-N 3 1 288.439 2.123 20 0 CEADMP CC(C)OC(=O)CC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420307752 395313135 /nfs/dbraw/zinc/31/31/35/395313135.db2.gz CHSRQCWXYJXILA-CVEARBPZSA-N 2 1 290.407 2.002 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420309033 395313439 /nfs/dbraw/zinc/31/34/39/395313439.db2.gz DIMQUIBAKZTYAI-HOTGVXAUSA-N 2 1 288.439 2.123 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)[nH+]1 ZINC000420309033 395313445 /nfs/dbraw/zinc/31/34/45/395313445.db2.gz DIMQUIBAKZTYAI-HOTGVXAUSA-N 3 1 288.439 2.123 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)[nH+]1 ZINC000420309033 395313449 /nfs/dbraw/zinc/31/34/49/395313449.db2.gz DIMQUIBAKZTYAI-HOTGVXAUSA-N 3 1 288.439 2.123 20 0 CEADMP COCC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccs1 ZINC000420315314 395320099 /nfs/dbraw/zinc/32/00/99/395320099.db2.gz LPHRKEFGTBBYFD-ZDUSSCGKSA-N 2 1 268.426 2.196 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420316299 395320522 /nfs/dbraw/zinc/32/05/22/395320522.db2.gz NFHKYKAYLJELPS-HOTGVXAUSA-N 2 1 274.408 2.169 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000420318328 395321840 /nfs/dbraw/zinc/32/18/40/395321840.db2.gz NXYKMXFRIRJZHW-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000420318328 395321846 /nfs/dbraw/zinc/32/18/46/395321846.db2.gz NXYKMXFRIRJZHW-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000420318328 395321849 /nfs/dbraw/zinc/32/18/49/395321849.db2.gz NXYKMXFRIRJZHW-OAGGEKHMSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000420318328 395321854 /nfs/dbraw/zinc/32/18/54/395321854.db2.gz NXYKMXFRIRJZHW-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CC[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000420318328 395321856 /nfs/dbraw/zinc/32/18/56/395321856.db2.gz NXYKMXFRIRJZHW-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP CCN(C[C@H](C)[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000420320772 395323735 /nfs/dbraw/zinc/32/37/35/395323735.db2.gz QGZYITCPZIAPMT-YQQAZPJKSA-N 2 1 275.440 2.491 20 0 CEADMP CC(C)c1nc2c(n1C)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000420321673 395324422 /nfs/dbraw/zinc/32/44/22/395324422.db2.gz RLVGKTJQWSXHJX-AWEZNQCLSA-N 2 1 290.455 2.291 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000355057661 395356281 /nfs/dbraw/zinc/35/62/81/395356281.db2.gz FIYQATLZPUSHQT-CABCVRRESA-N 3 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000355057661 395356284 /nfs/dbraw/zinc/35/62/84/395356284.db2.gz FIYQATLZPUSHQT-CABCVRRESA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420371595 395357184 /nfs/dbraw/zinc/35/71/84/395357184.db2.gz KODMTNISEMYGAK-CKEIUWERSA-N 2 1 274.408 2.310 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCc1ccc2c(c1)CCO2 ZINC000420372582 395358466 /nfs/dbraw/zinc/35/84/66/395358466.db2.gz YJZIBESEGHDUAW-HNNXBMFYSA-N 2 1 262.397 2.127 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000420372092 395358519 /nfs/dbraw/zinc/35/85/19/395358519.db2.gz KYJXWNRRCOLYDD-HNNXBMFYSA-N 2 1 299.422 2.261 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](CCCOc2cccc(Cl)c2)CCCO1 ZINC000420380058 395365619 /nfs/dbraw/zinc/36/56/19/395365619.db2.gz BQIOXRHTWLMCIL-HNNXBMFYSA-N 2 1 298.814 2.159 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CCCOc2cccc(Cl)c2)CCCO1 ZINC000420380058 395365625 /nfs/dbraw/zinc/36/56/25/395365625.db2.gz BQIOXRHTWLMCIL-HNNXBMFYSA-N 2 1 298.814 2.159 20 0 CEADMP C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)[C@@H]1CCCO1 ZINC000420391596 395367297 /nfs/dbraw/zinc/36/72/97/395367297.db2.gz IPUSWGPPAGDPJU-QLFBSQMISA-N 2 1 252.402 2.020 20 0 CEADMP CC[N@@H+](Cc1nc(C)ccc1O)[C@H]1CCC[NH2+]CC1 ZINC000435371938 395367302 /nfs/dbraw/zinc/36/73/02/395367302.db2.gz PCAVUUNCDFAKOW-ZDUSSCGKSA-N 2 1 263.385 2.060 20 0 CEADMP CC[N@H+](CC(=O)NCCC(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435627791 395380089 /nfs/dbraw/zinc/38/00/89/395380089.db2.gz SLXYFIXZDKEGDY-CQSZACIVSA-N 2 1 283.460 2.003 20 0 CEADMP CC[N@@H+](CC(=O)NCCC(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435627791 395380091 /nfs/dbraw/zinc/38/00/91/395380091.db2.gz SLXYFIXZDKEGDY-CQSZACIVSA-N 2 1 283.460 2.003 20 0 CEADMP CC[N@H+](Cc1c(C)noc1C)[C@H]1CCC[NH2+]CC1 ZINC000435629578 395380200 /nfs/dbraw/zinc/38/02/00/395380200.db2.gz UMGQRUFBZXYDCL-ZDUSSCGKSA-N 2 1 251.374 2.255 20 0 CEADMP CC[N@@H+](Cc1c(C)noc1C)[C@H]1CCC[NH2+]CC1 ZINC000435629578 395380203 /nfs/dbraw/zinc/38/02/03/395380203.db2.gz UMGQRUFBZXYDCL-ZDUSSCGKSA-N 2 1 251.374 2.255 20 0 CEADMP CC[N@@H+](CCC[NH2+]C)[C@@H](COC)Cc1ccccc1 ZINC000435883424 395394063 /nfs/dbraw/zinc/39/40/63/395394063.db2.gz KTJLWWJURCVHCN-MRXNPFEDSA-N 2 1 264.413 2.176 20 0 CEADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442780195 395394901 /nfs/dbraw/zinc/39/49/01/395394901.db2.gz NPMKQGVYXGCALG-GRYCIOLGSA-N 2 1 295.814 2.336 20 0 CEADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442780195 395394904 /nfs/dbraw/zinc/39/49/04/395394904.db2.gz NPMKQGVYXGCALG-GRYCIOLGSA-N 2 1 295.814 2.336 20 0 CEADMP CCN(C(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000442781336 395395016 /nfs/dbraw/zinc/39/50/16/395395016.db2.gz PDAOMUSIEPJLJL-SOUVJXGZSA-N 2 1 289.423 2.097 20 0 CEADMP CCN(C(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000442781336 395395017 /nfs/dbraw/zinc/39/50/17/395395017.db2.gz PDAOMUSIEPJLJL-SOUVJXGZSA-N 2 1 289.423 2.097 20 0 CEADMP CC(C)n1ccnc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329469 395331208 /nfs/dbraw/zinc/33/12/08/395331208.db2.gz OIUIUCRAUAECTE-HUUCEWRRSA-N 2 1 276.428 2.286 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420343299 395337741 /nfs/dbraw/zinc/33/77/41/395337741.db2.gz QMYZAIBZXFLKOR-KKUMJFAQSA-N 2 1 295.471 2.001 20 0 CEADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420343301 395337857 /nfs/dbraw/zinc/33/78/57/395337857.db2.gz QMYZAIBZXFLKOR-RRFJBIMHSA-N 2 1 295.471 2.001 20 0 CEADMP C(C[N@H+]1CC[C@@H](C2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000420352843 395340880 /nfs/dbraw/zinc/34/08/80/395340880.db2.gz AVWWLZREQRYJGT-MRXNPFEDSA-N 2 1 266.429 2.125 20 0 CEADMP COc1cccc2c1CC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420353803 395341420 /nfs/dbraw/zinc/34/14/20/395341420.db2.gz CHCJDENVTYNYCU-AWEZNQCLSA-N 2 1 274.408 2.095 20 0 CEADMP C[C@@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)[N@@H+]1C ZINC000298033226 395351347 /nfs/dbraw/zinc/35/13/47/395351347.db2.gz GGWRGKJHYYYLMC-SOLBZPMBSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)[NH+]1C ZINC000298033226 395351350 /nfs/dbraw/zinc/35/13/50/395351350.db2.gz GGWRGKJHYYYLMC-SOLBZPMBSA-N 2 1 287.451 2.285 20 0 CEADMP C[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH+]1C ZINC000298033226 395351352 /nfs/dbraw/zinc/35/13/52/395351352.db2.gz GGWRGKJHYYYLMC-SOLBZPMBSA-N 2 1 287.451 2.285 20 0 CEADMP C[N@H+](CCc1nccs1)CC[C@@H]1CCC[NH2+]C1 ZINC000420365609 395351744 /nfs/dbraw/zinc/35/17/44/395351744.db2.gz FAHGOIJBXICNER-LBPRGKRZSA-N 2 1 253.415 2.007 20 0 CEADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000420364375 395352416 /nfs/dbraw/zinc/35/24/16/395352416.db2.gz QQSLJBKXXQXIBX-GFCCVEGCSA-N 2 1 264.417 2.139 20 0 CEADMP Fc1ccc2[nH]c(CCNc3[nH+]cnc4[nH]ccc43)nc2c1 ZINC000444082047 395412536 /nfs/dbraw/zinc/41/25/36/395412536.db2.gz GBDXEHBZFPCRSD-UHFFFAOYSA-N 2 1 296.309 2.050 20 0 CEADMP C[NH+](C)C1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000193823414 395416714 /nfs/dbraw/zinc/41/67/14/395416714.db2.gz WMZFFWHFYSVPKC-UHFFFAOYSA-N 2 1 293.386 2.180 20 0 CEADMP Cc1cc(NC2CC[NH+](CC3CC3)CC2)nc(C)[nH+]1 ZINC000194088919 395424344 /nfs/dbraw/zinc/42/43/44/395424344.db2.gz FERWDIPYPIQISF-UHFFFAOYSA-N 2 1 260.385 2.380 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCO[C@@H]2CCCCO2)C[C@@H]1C ZINC000444654596 395443904 /nfs/dbraw/zinc/44/39/04/395443904.db2.gz XRTMGBUJFZJJEF-HRCADAONSA-N 2 1 284.444 2.334 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCO[C@@H]2CCCCO2)C[C@@H]1C ZINC000444654596 395443906 /nfs/dbraw/zinc/44/39/06/395443906.db2.gz XRTMGBUJFZJJEF-HRCADAONSA-N 2 1 284.444 2.334 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO[C@@H]2CCCCO2)C[C@@H]1C ZINC000444654596 395443910 /nfs/dbraw/zinc/44/39/10/395443910.db2.gz XRTMGBUJFZJJEF-HRCADAONSA-N 2 1 284.444 2.334 20 0 CEADMP CO[C@H](C)c1nc(C[NH+]2CCC(CC[NH3+])CC2)cs1 ZINC000566356406 395515357 /nfs/dbraw/zinc/51/53/57/395515357.db2.gz YNKYSGOJFWISQN-LLVKDONJSA-N 2 1 283.441 2.411 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CC[C@@H](c3nccn3C)C2)o1 ZINC000566415170 395520313 /nfs/dbraw/zinc/52/03/13/395520313.db2.gz XVNCTQCKAQNRLG-GFCCVEGCSA-N 2 1 274.368 2.268 20 0 CEADMP Cc1ncncc1[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000566476415 395528717 /nfs/dbraw/zinc/52/87/17/395528717.db2.gz XRMJDPOBJKSZLQ-LLVKDONJSA-N 2 1 250.390 2.023 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000565645226 395478800 /nfs/dbraw/zinc/47/88/00/395478800.db2.gz NGZNPYOTHRCDHQ-HIFRSBDPSA-N 3 1 299.422 2.053 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451344168 395608297 /nfs/dbraw/zinc/60/82/97/395608297.db2.gz PMJMINUKIVMXNE-YYIAUSFCSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451344168 395608298 /nfs/dbraw/zinc/60/82/98/395608298.db2.gz PMJMINUKIVMXNE-YYIAUSFCSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451344168 395608300 /nfs/dbraw/zinc/60/83/00/395608300.db2.gz PMJMINUKIVMXNE-YYIAUSFCSA-N 2 1 280.456 2.486 20 0 CEADMP Cc1nccn1CCCC[N@H+](C)Cc1ccccn1 ZINC000451366684 395611308 /nfs/dbraw/zinc/61/13/08/395611308.db2.gz JSIYCXYRCBGDBB-UHFFFAOYSA-N 2 1 258.369 2.499 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccccn1 ZINC000451366684 395611310 /nfs/dbraw/zinc/61/13/10/395611310.db2.gz JSIYCXYRCBGDBB-UHFFFAOYSA-N 2 1 258.369 2.499 20 0 CEADMP C[C@@H](CC1CCCCC1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000569214832 395575033 /nfs/dbraw/zinc/57/50/33/395575033.db2.gz UVHVMGQATNYPQY-BBRMVZONSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H](CC1CCCCC1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000569214832 395575034 /nfs/dbraw/zinc/57/50/34/395575034.db2.gz UVHVMGQATNYPQY-BBRMVZONSA-N 2 1 268.445 2.390 20 0 CEADMP COC[C@@]1(C)CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000451184996 395589558 /nfs/dbraw/zinc/58/95/58/395589558.db2.gz BUKAFJDDLKJPJR-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@@]1(C)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000451184996 395589560 /nfs/dbraw/zinc/58/95/60/395589560.db2.gz BUKAFJDDLKJPJR-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@@]1(C)CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000451184996 395589562 /nfs/dbraw/zinc/58/95/62/395589562.db2.gz BUKAFJDDLKJPJR-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP COc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C)O[C@H](C)C2 ZINC000574381688 395628918 /nfs/dbraw/zinc/62/89/18/395628918.db2.gz CHSGYCRBLCSKTP-LALPHHSUSA-N 2 1 290.407 2.106 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000574723533 395636011 /nfs/dbraw/zinc/63/60/11/395636011.db2.gz RWKCEIURASACBK-KLHDSHLOSA-N 2 1 278.440 2.408 20 0 CEADMP CCC[N@H+](Cc1ccc(OCC)cn1)C1CC[NH2+]CC1 ZINC000647484549 395720790 /nfs/dbraw/zinc/72/07/90/395720790.db2.gz ZZQLRUOBDDYFIL-UHFFFAOYSA-N 2 1 277.412 2.444 20 0 CEADMP CCC[N@@H+](Cc1ccc(OCC)cn1)C1CC[NH2+]CC1 ZINC000647484549 395720791 /nfs/dbraw/zinc/72/07/91/395720791.db2.gz ZZQLRUOBDDYFIL-UHFFFAOYSA-N 2 1 277.412 2.444 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cnc3ccc(C)cn23)CC[C@@H]1[NH3+] ZINC000647498102 395721706 /nfs/dbraw/zinc/72/17/06/395721706.db2.gz AEQCQCJIBVVEHN-ZFWWWQNUSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cnc3ccc(C)cn23)CC[C@@H]1[NH3+] ZINC000647498102 395721709 /nfs/dbraw/zinc/72/17/09/395721709.db2.gz AEQCQCJIBVVEHN-ZFWWWQNUSA-N 2 1 272.396 2.202 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647498826 395722267 /nfs/dbraw/zinc/72/22/67/395722267.db2.gz RONLTMCZBJMJSK-OCCSQVGLSA-N 2 1 278.444 2.104 20 0 CEADMP NC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCCCC1 ZINC000647546650 395732154 /nfs/dbraw/zinc/73/21/54/395732154.db2.gz UECNKOMRNWWRBU-SOUVJXGZSA-N 2 1 265.445 2.016 20 0 CEADMP C(c1nc2c(s1)CCC2)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545807 395732156 /nfs/dbraw/zinc/73/21/56/395732156.db2.gz XWNVNZJVAAUMBY-CHWSQXEVSA-N 2 1 291.464 2.453 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)nc1 ZINC000647535750 395728722 /nfs/dbraw/zinc/72/87/22/395728722.db2.gz HGYIBECVDWPVJM-ZDUSSCGKSA-N 2 1 263.385 2.041 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cnc2ccccn12 ZINC000647541394 395730512 /nfs/dbraw/zinc/73/05/12/395730512.db2.gz NUAONPMHWDKMEJ-CYBMUJFWSA-N 2 1 258.369 2.038 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cnc2ccccn12 ZINC000647541394 395730514 /nfs/dbraw/zinc/73/05/14/395730514.db2.gz NUAONPMHWDKMEJ-CYBMUJFWSA-N 2 1 258.369 2.038 20 0 CEADMP c1cncc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647544132 395731546 /nfs/dbraw/zinc/73/15/46/395731546.db2.gz XDNLSVTXFRJXLM-JKSUJKDBSA-N 2 1 259.397 2.293 20 0 CEADMP COc1ccc(CCC[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)cc1OC ZINC000647550570 395734036 /nfs/dbraw/zinc/73/40/36/395734036.db2.gz ZAORWXJESAQSGX-HIFRSBDPSA-N 2 1 292.423 2.224 20 0 CEADMP [NH3+]Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000647553365 395734218 /nfs/dbraw/zinc/73/42/18/395734218.db2.gz WWYGUIRUFJHAIG-UHFFFAOYSA-N 3 1 273.424 2.109 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647786060 395754116 /nfs/dbraw/zinc/75/41/16/395754116.db2.gz HGYRKIHDEAWBQV-YYIAUSFCSA-N 3 1 279.472 2.229 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647786060 395754117 /nfs/dbraw/zinc/75/41/17/395754117.db2.gz HGYRKIHDEAWBQV-YYIAUSFCSA-N 3 1 279.472 2.229 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000647789514 395754648 /nfs/dbraw/zinc/75/46/48/395754648.db2.gz GWCVOZILLCKXLL-BRSBDYLESA-N 3 1 293.499 2.475 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000647826850 395760765 /nfs/dbraw/zinc/76/07/65/395760765.db2.gz BOHPWVINSXYOOQ-CZUORRHYSA-N 2 1 294.443 2.276 20 0 CEADMP CC(C)(CNc1[nH+]ccc2[nH]ccc21)[NH+]1CCOCC1 ZINC000647846651 395762897 /nfs/dbraw/zinc/76/28/97/395762897.db2.gz MSMSHRICYUZSDS-UHFFFAOYSA-N 2 1 274.368 2.086 20 0 CEADMP CSc1ccccc1NC(=O)CC[N@@H+](C)CCC[NH3+] ZINC000647849230 395763655 /nfs/dbraw/zinc/76/36/55/395763655.db2.gz MBPVNHLERHUDRN-UHFFFAOYSA-N 2 1 281.425 2.018 20 0 CEADMP C[N@@H+](CCCOc1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647880321 395767790 /nfs/dbraw/zinc/76/77/90/395767790.db2.gz HJTRHUFFPMDNLQ-CYBMUJFWSA-N 2 1 266.360 2.136 20 0 CEADMP COCC[N@@H+](CCC1CC[NH2+]CC1)C1CCCC1 ZINC000647883498 395768814 /nfs/dbraw/zinc/76/88/14/395768814.db2.gz XFKVSSXEMYXYQL-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP O[C@H]([C@@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1)C(F)(F)F ZINC000647884529 395769367 /nfs/dbraw/zinc/76/93/67/395769367.db2.gz BGBFFVVHNYUCOT-QWHCGFSZSA-N 2 1 294.361 2.154 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2COC(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000648068115 395825052 /nfs/dbraw/zinc/82/50/52/395825052.db2.gz BSZIIFODCZYZNI-ZACQAIPSSA-N 2 1 288.435 2.489 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000648137148 395843587 /nfs/dbraw/zinc/84/35/87/395843587.db2.gz JYPMLIPKIIIWFU-KGLIPLIRSA-N 2 1 292.427 2.127 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)on1 ZINC000647977392 395793234 /nfs/dbraw/zinc/79/32/34/395793234.db2.gz AQEHWXIFXACTQG-UONOGXRCSA-N 2 1 263.385 2.195 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977388 395793481 /nfs/dbraw/zinc/79/34/81/395793481.db2.gz AOASLHXUPYKKAU-IRXDYDNUSA-N 2 1 290.455 2.293 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977388 395793483 /nfs/dbraw/zinc/79/34/83/395793483.db2.gz AOASLHXUPYKKAU-IRXDYDNUSA-N 3 1 290.455 2.293 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977388 395793485 /nfs/dbraw/zinc/79/34/85/395793485.db2.gz AOASLHXUPYKKAU-IRXDYDNUSA-N 3 1 290.455 2.293 20 0 CEADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977137 395793678 /nfs/dbraw/zinc/79/36/78/395793678.db2.gz YFFJYKILHWARKK-YHUYYLMFSA-N 2 1 295.471 2.001 20 0 CEADMP CCC(C)(C)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975821 395793757 /nfs/dbraw/zinc/79/37/57/395793757.db2.gz GMZGGDUBBGDSHI-CABCVRRESA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647990241 395797547 /nfs/dbraw/zinc/79/75/47/395797547.db2.gz LEPOIHUVDOJBCK-CYBMUJFWSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)Cn1nccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000648006501 395801752 /nfs/dbraw/zinc/80/17/52/395801752.db2.gz IOZCLVOYGPWRTC-UHFFFAOYSA-N 2 1 278.444 2.313 20 0 CEADMP CC(C)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1COC1 ZINC000648606317 395938599 /nfs/dbraw/zinc/93/85/99/395938599.db2.gz PFCRWAIKFHCDSI-UHFFFAOYSA-N 2 1 292.423 2.236 20 0 CEADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000648753878 395975599 /nfs/dbraw/zinc/97/55/99/395975599.db2.gz MJBYDYKWXVWGFC-GDBMZVCRSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000648753878 395975601 /nfs/dbraw/zinc/97/56/01/395975601.db2.gz MJBYDYKWXVWGFC-GDBMZVCRSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000648753878 395975604 /nfs/dbraw/zinc/97/56/04/395975604.db2.gz MJBYDYKWXVWGFC-GDBMZVCRSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1[C@H](C(=O)NCCCCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000648779046 395982257 /nfs/dbraw/zinc/98/22/57/395982257.db2.gz YQCAUGQKYCJXRC-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](C)C1 ZINC000649227817 396095754 /nfs/dbraw/zinc/09/57/54/396095754.db2.gz OSPUCMDXORKXIT-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000649227817 396095756 /nfs/dbraw/zinc/09/57/56/396095756.db2.gz OSPUCMDXORKXIT-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCN(C(=O)CC[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000649227817 396095757 /nfs/dbraw/zinc/09/57/57/396095757.db2.gz OSPUCMDXORKXIT-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649318552 396120588 /nfs/dbraw/zinc/12/05/88/396120588.db2.gz VRURRKYKLUGMRS-FZMZJTMJSA-N 2 1 297.830 2.186 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCC2CC[NH2+]CC2)C1 ZINC000649414407 396147963 /nfs/dbraw/zinc/14/79/63/396147963.db2.gz YGUBVGLNVLCFTH-QGZVFWFLSA-N 3 1 281.488 2.430 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414407 396147965 /nfs/dbraw/zinc/14/79/65/396147965.db2.gz YGUBVGLNVLCFTH-QGZVFWFLSA-N 3 1 281.488 2.430 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649414407 396147967 /nfs/dbraw/zinc/14/79/67/396147967.db2.gz YGUBVGLNVLCFTH-QGZVFWFLSA-N 3 1 281.488 2.430 20 0 CEADMP CC[C@H]1C[N@@H+](CCc2nc3ccccc3n2C)CC[C@H]1[NH3+] ZINC000649416468 396149335 /nfs/dbraw/zinc/14/93/35/396149335.db2.gz BFHBOGRXEAQEMS-UONOGXRCSA-N 2 1 286.423 2.175 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2cncc(C)n2)C[C@@H]1C ZINC000649546822 396184609 /nfs/dbraw/zinc/18/46/09/396184609.db2.gz BCOOULAQWYPSLY-HOCLYGCPSA-N 2 1 276.428 2.132 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cncc(C)n2)C[C@@H]1C ZINC000649546822 396184612 /nfs/dbraw/zinc/18/46/12/396184612.db2.gz BCOOULAQWYPSLY-HOCLYGCPSA-N 2 1 276.428 2.132 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cncc(C)n2)C[C@@H]1C ZINC000649546822 396184613 /nfs/dbraw/zinc/18/46/13/396184613.db2.gz BCOOULAQWYPSLY-HOCLYGCPSA-N 2 1 276.428 2.132 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cncc(C)n2)C[C@@H]1C ZINC000649546822 396184616 /nfs/dbraw/zinc/18/46/16/396184616.db2.gz BCOOULAQWYPSLY-HOCLYGCPSA-N 2 1 276.428 2.132 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC(=O)N2)cc1 ZINC000649576411 396196425 /nfs/dbraw/zinc/19/64/25/396196425.db2.gz YAVOKKPZJFZHPG-WFASDCNBSA-N 2 1 298.390 2.110 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000646188246 396310323 /nfs/dbraw/zinc/31/03/23/396310323.db2.gz QEKIEAJGLIZAPW-QLFBSQMISA-N 2 1 298.475 2.066 20 0 CEADMP C([C@@H]1CCSC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000300272763 400327122 /nfs/dbraw/zinc/32/71/22/400327122.db2.gz RHGZHNMLNSLENA-IHRRRGAJSA-N 2 1 254.443 2.204 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2([C@H](O)C(C)C)CC2)[C@@H](C)C1 ZINC000344309434 400367079 /nfs/dbraw/zinc/36/70/79/400367079.db2.gz ZIICJYSKAJVTLT-SOUVJXGZSA-N 2 1 268.445 2.103 20 0 CEADMP Cc1cccc(N2CCC([NH2+]Cc3cnc(C)nc3)CC2)[nH+]1 ZINC000344307243 400367128 /nfs/dbraw/zinc/36/71/28/400367128.db2.gz LUVFBNOYKDWXQT-UHFFFAOYSA-N 2 1 297.406 2.247 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccccc1 ZINC000389137383 400537225 /nfs/dbraw/zinc/53/72/25/400537225.db2.gz UQOUSEWNWQLXPZ-HOCLYGCPSA-N 2 1 264.413 2.381 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccccc1 ZINC000389137383 400537226 /nfs/dbraw/zinc/53/72/26/400537226.db2.gz UQOUSEWNWQLXPZ-HOCLYGCPSA-N 2 1 264.413 2.381 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000389137383 400537228 /nfs/dbraw/zinc/53/72/28/400537228.db2.gz UQOUSEWNWQLXPZ-HOCLYGCPSA-N 2 1 264.413 2.381 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000389137383 400537229 /nfs/dbraw/zinc/53/72/29/400537229.db2.gz UQOUSEWNWQLXPZ-HOCLYGCPSA-N 2 1 264.413 2.381 20 0 CEADMP COc1ccccc1C1([NH2+]CCn2cc[nH+]c2C)CC1 ZINC000646001213 400709081 /nfs/dbraw/zinc/70/90/81/400709081.db2.gz LCVCXUOJRFZKHY-UHFFFAOYSA-N 2 1 271.364 2.479 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000359904375 155164838 /nfs/dbraw/zinc/16/48/38/155164838.db2.gz CQADHJDCCVDAID-OAHLLOKOSA-N 2 1 293.386 2.132 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000359904375 155164841 /nfs/dbraw/zinc/16/48/41/155164841.db2.gz CQADHJDCCVDAID-OAHLLOKOSA-N 2 1 293.386 2.132 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@]4(C[NH3+])C3)c2c1C ZINC000650300907 400865093 /nfs/dbraw/zinc/86/50/93/400865093.db2.gz VDALVRKZDPAOTH-LRDDRELGSA-N 2 1 285.395 2.140 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CNc3ccccc3C2)[C@H](C)C1 ZINC000650715806 401006247 /nfs/dbraw/zinc/00/62/47/401006247.db2.gz KQKHXLYTSHNRTR-BMFZPTHFSA-N 2 1 273.424 2.343 20 0 CEADMP Cc1ncccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723551 401012109 /nfs/dbraw/zinc/01/21/09/401012109.db2.gz QDVNKAPBGFBECE-GVDBMIGSSA-N 2 1 289.423 2.251 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000650756106 401032654 /nfs/dbraw/zinc/03/26/54/401032654.db2.gz USHOIGFZQWKLNM-HOTGVXAUSA-N 3 1 261.413 2.156 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000360053287 155202281 /nfs/dbraw/zinc/20/22/81/155202281.db2.gz CZKUCKBBTYCPJF-DTDBQYNISA-N 2 1 287.451 2.491 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000360053287 155202284 /nfs/dbraw/zinc/20/22/84/155202284.db2.gz CZKUCKBBTYCPJF-DTDBQYNISA-N 2 1 287.451 2.491 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000360053287 155202285 /nfs/dbraw/zinc/20/22/85/155202285.db2.gz CZKUCKBBTYCPJF-DTDBQYNISA-N 2 1 287.451 2.491 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000360053287 155202288 /nfs/dbraw/zinc/20/22/88/155202288.db2.gz CZKUCKBBTYCPJF-DTDBQYNISA-N 2 1 287.451 2.491 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC1CC[NH+](C2CC2)CC1 ZINC000651865393 401405756 /nfs/dbraw/zinc/40/57/56/401405756.db2.gz WQOGDWUSDAUHOJ-UHFFFAOYSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]C1CCN(C2CC2)CC1 ZINC000651865393 401405758 /nfs/dbraw/zinc/40/57/58/401405758.db2.gz WQOGDWUSDAUHOJ-UHFFFAOYSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCN(C2CC2)CC1 ZINC000651865393 401405760 /nfs/dbraw/zinc/40/57/60/401405760.db2.gz WQOGDWUSDAUHOJ-UHFFFAOYSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC[N@@H+]1C ZINC000652278053 401477769 /nfs/dbraw/zinc/47/77/69/401477769.db2.gz ABENXUNNTZMWPE-LLLHUVSDSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC[N@H+]1C ZINC000652278053 401477773 /nfs/dbraw/zinc/47/77/73/401477773.db2.gz ABENXUNNTZMWPE-LLLHUVSDSA-N 2 1 289.423 2.374 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000652523430 401536573 /nfs/dbraw/zinc/53/65/73/401536573.db2.gz POGXIQIQINROEV-AWEZNQCLSA-N 2 1 285.476 2.247 20 0 CEADMP CC(C)CN(C(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])C1CC1 ZINC000652354882 401492315 /nfs/dbraw/zinc/49/23/15/401492315.db2.gz KGCISJORNNJZDG-ZBFHGGJFSA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)CN(C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])C1CC1 ZINC000652354882 401492321 /nfs/dbraw/zinc/49/23/21/401492321.db2.gz KGCISJORNNJZDG-ZBFHGGJFSA-N 2 1 295.471 2.083 20 0 CEADMP CCO[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)C[C@H]1C[NH3+] ZINC000652356586 401493216 /nfs/dbraw/zinc/49/32/16/401493216.db2.gz VQBBGRGOTUKSHI-KBRIMQKVSA-N 2 1 292.398 2.499 20 0 CEADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000361220965 292215601 /nfs/dbraw/zinc/21/56/01/292215601.db2.gz PKZRXGNLNRGDQC-YESZJQIVSA-N 2 1 276.424 2.143 20 0 CEADMP CC(C)n1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cn1 ZINC000360791392 155372736 /nfs/dbraw/zinc/37/27/36/155372736.db2.gz MXQFTTXRNCPUAX-IKGGRYGDSA-N 2 1 288.439 2.380 20 0 CEADMP C[C@H]1CC[N@H+](CCCOCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000224846336 153321555 /nfs/dbraw/zinc/32/15/55/153321555.db2.gz XZKGRWLBQOBUJD-WDEREUQCSA-N 2 1 268.323 2.015 20 0 CEADMP C[C@H]1CC[N@@H+](CCCOCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000224846336 153321556 /nfs/dbraw/zinc/32/15/56/153321556.db2.gz XZKGRWLBQOBUJD-WDEREUQCSA-N 2 1 268.323 2.015 20 0 CEADMP C[C@H](CC[NH3+])[NH2+]Cc1ccc(F)cc1Br ZINC000220488564 153306356 /nfs/dbraw/zinc/30/63/56/153306356.db2.gz ABQPCDSAKMBEJM-MRVPVSSYSA-N 2 1 275.165 2.415 20 0 CEADMP CO[C@@H]1CC[N@H+](CCCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000226409712 153334722 /nfs/dbraw/zinc/33/47/22/153334722.db2.gz WYLLAFHTRZMGHE-HZPDHXFCSA-N 2 1 262.397 2.057 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000226409712 153334724 /nfs/dbraw/zinc/33/47/24/153334724.db2.gz WYLLAFHTRZMGHE-HZPDHXFCSA-N 2 1 262.397 2.057 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)CCCO1 ZINC000313342557 154207919 /nfs/dbraw/zinc/20/79/19/154207919.db2.gz GKLNNUQRTZZULY-QGZVFWFLSA-N 2 1 270.376 2.389 20 0 CEADMP CCN(CC)c1ncc(C[N@H+](C)CC(C)(C)C[NH3+])s1 ZINC000346665684 154290635 /nfs/dbraw/zinc/29/06/35/154290635.db2.gz DIIYILTZLHGXMF-UHFFFAOYSA-N 2 1 284.473 2.406 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+](C)CC(C)(C)C[NH3+])s1 ZINC000346665684 154290642 /nfs/dbraw/zinc/29/06/42/154290642.db2.gz DIIYILTZLHGXMF-UHFFFAOYSA-N 2 1 284.473 2.406 20 0 CEADMP CCOCc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1OC ZINC000346695001 154291804 /nfs/dbraw/zinc/29/18/04/154291804.db2.gz XRQQYIYKQYUGHX-HIFRSBDPSA-N 2 1 292.423 2.401 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000346677906 154292781 /nfs/dbraw/zinc/29/27/81/154292781.db2.gz LAAAGLDMMNEICA-MNOVXSKESA-N 2 1 276.409 2.307 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000351858814 154319726 /nfs/dbraw/zinc/31/97/26/154319726.db2.gz DUYRCHYPKLPXAF-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000351858814 154319731 /nfs/dbraw/zinc/31/97/31/154319731.db2.gz DUYRCHYPKLPXAF-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)C[C@@H](CNCc1ncc(C[NH+](C)C)s1)[NH+](C)C ZINC000352779099 154339433 /nfs/dbraw/zinc/33/94/33/154339433.db2.gz JPHPIUUOWBDXIR-ZDUSSCGKSA-N 2 1 298.500 2.271 20 0 CEADMP c1ccc(CSCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357121935 154383619 /nfs/dbraw/zinc/38/36/19/154383619.db2.gz QFMCXGSUIMOXAU-JKSUJKDBSA-N 2 1 276.449 2.461 20 0 CEADMP c1ccc(CSCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357121935 154383622 /nfs/dbraw/zinc/38/36/22/154383622.db2.gz QFMCXGSUIMOXAU-JKSUJKDBSA-N 2 1 276.449 2.461 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000358235810 154532992 /nfs/dbraw/zinc/53/29/92/154532992.db2.gz YWYGQWJBRQLRFJ-LROULRCXSA-N 2 1 294.464 2.415 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000358235810 154532993 /nfs/dbraw/zinc/53/29/93/154532993.db2.gz YWYGQWJBRQLRFJ-LROULRCXSA-N 2 1 294.464 2.415 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C(=O)OC)C2CC2)CC1 ZINC000359591294 155064143 /nfs/dbraw/zinc/06/41/43/155064143.db2.gz VOTAMKZVMFXQLK-MRXNPFEDSA-N 2 1 296.455 2.382 20 0 CEADMP c1cc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)ccn1 ZINC000363260438 156017866 /nfs/dbraw/zinc/01/78/66/156017866.db2.gz WGACAYNAYHCVCY-IXDOHACOSA-N 2 1 271.408 2.040 20 0 CEADMP c1cc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)ccn1 ZINC000363260438 156017870 /nfs/dbraw/zinc/01/78/70/156017870.db2.gz WGACAYNAYHCVCY-IXDOHACOSA-N 2 1 271.408 2.040 20 0 CEADMP c1cc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)ccn1 ZINC000363260438 156017874 /nfs/dbraw/zinc/01/78/74/156017874.db2.gz WGACAYNAYHCVCY-IXDOHACOSA-N 2 1 271.408 2.040 20 0 CEADMP Cc1cncc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000364147510 156064964 /nfs/dbraw/zinc/06/49/64/156064964.db2.gz MAAAYGQUANAYEZ-IXDOHACOSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cncc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000364147510 156064970 /nfs/dbraw/zinc/06/49/70/156064970.db2.gz MAAAYGQUANAYEZ-IXDOHACOSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cncc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000364147510 156064972 /nfs/dbraw/zinc/06/49/72/156064972.db2.gz MAAAYGQUANAYEZ-IXDOHACOSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1cncc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000364147510 156064976 /nfs/dbraw/zinc/06/49/76/156064976.db2.gz MAAAYGQUANAYEZ-IXDOHACOSA-N 2 1 271.408 2.306 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000366873770 156096219 /nfs/dbraw/zinc/09/62/19/156096219.db2.gz CYRCGMBKNMICDV-RBSFLKMASA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+](Cc3cscn3)C2)CC1 ZINC000366955815 156109727 /nfs/dbraw/zinc/10/97/27/156109727.db2.gz RUADOKSGOGBWAH-UHFFFAOYSA-N 2 1 265.426 2.451 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cscn3)C2)CC1 ZINC000366955815 156109728 /nfs/dbraw/zinc/10/97/28/156109728.db2.gz RUADOKSGOGBWAH-UHFFFAOYSA-N 2 1 265.426 2.451 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1O ZINC000367601382 156211878 /nfs/dbraw/zinc/21/18/78/156211878.db2.gz NVXOZYARAHEHDP-RRFJBIMHSA-N 2 1 290.407 2.363 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000367601221 156214549 /nfs/dbraw/zinc/21/45/49/156214549.db2.gz NBVKWHNKLGBLJX-MCIONIFRSA-N 2 1 265.426 2.414 20 0 CEADMP C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368056855 156275381 /nfs/dbraw/zinc/27/53/81/156275381.db2.gz AMAOOCKPOQEIOP-NVXWUHKLSA-N 2 1 298.434 2.420 20 0 CEADMP C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368056855 156275383 /nfs/dbraw/zinc/27/53/83/156275383.db2.gz AMAOOCKPOQEIOP-NVXWUHKLSA-N 2 1 298.434 2.420 20 0 CEADMP Cc1cn[nH]c1C[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368222991 156302425 /nfs/dbraw/zinc/30/24/25/156302425.db2.gz ITQUPAMDVASCRM-UHFFFAOYSA-N 2 1 285.395 2.214 20 0 CEADMP Cc1c[nH]nc1C[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368222991 156302433 /nfs/dbraw/zinc/30/24/33/156302433.db2.gz ITQUPAMDVASCRM-UHFFFAOYSA-N 2 1 285.395 2.214 20 0 CEADMP Cc1c[nH]nc1C[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368222991 156302440 /nfs/dbraw/zinc/30/24/40/156302440.db2.gz ITQUPAMDVASCRM-UHFFFAOYSA-N 2 1 285.395 2.214 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000368574547 156368263 /nfs/dbraw/zinc/36/82/63/156368263.db2.gz KKAHZTUXQPPSPT-XSLAGTTESA-N 2 1 288.435 2.052 20 0 CEADMP C[C@@H]([NH2+]Cc1cnn(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374895395 157028874 /nfs/dbraw/zinc/02/88/74/157028874.db2.gz MWCTUSJDWXJCGD-QAPCUYQASA-N 2 1 298.434 2.420 20 0 CEADMP C(C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000375313212 157075674 /nfs/dbraw/zinc/07/56/74/157075674.db2.gz CHDWSGJAPUKNJB-MRXNPFEDSA-N 2 1 266.429 2.363 20 0 CEADMP C(C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000375313212 157075677 /nfs/dbraw/zinc/07/56/77/157075677.db2.gz CHDWSGJAPUKNJB-MRXNPFEDSA-N 2 1 266.429 2.363 20 0 CEADMP CC[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@H]1CCOC1 ZINC000310706631 286903377 /nfs/dbraw/zinc/90/33/77/286903377.db2.gz INXAULMNDVBKIX-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158653110 162309527 /nfs/dbraw/zinc/30/95/27/162309527.db2.gz JHZBYUANDJOITJ-IIAWOOMASA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158653110 162309531 /nfs/dbraw/zinc/30/95/31/162309531.db2.gz JHZBYUANDJOITJ-IIAWOOMASA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158653110 162309532 /nfs/dbraw/zinc/30/95/32/162309532.db2.gz JHZBYUANDJOITJ-IIAWOOMASA-N 2 1 295.471 2.096 20 0 CEADMP CCC(CC)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158653110 162309534 /nfs/dbraw/zinc/30/95/34/162309534.db2.gz JHZBYUANDJOITJ-IIAWOOMASA-N 2 1 295.471 2.096 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000161991600 162330054 /nfs/dbraw/zinc/33/00/54/162330054.db2.gz ITPMJQIFNKNLMN-QGZVFWFLSA-N 2 1 290.455 2.389 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000161991600 162330056 /nfs/dbraw/zinc/33/00/56/162330056.db2.gz ITPMJQIFNKNLMN-QGZVFWFLSA-N 3 1 290.455 2.389 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000161991600 162330060 /nfs/dbraw/zinc/33/00/60/162330060.db2.gz ITPMJQIFNKNLMN-QGZVFWFLSA-N 3 1 290.455 2.389 20 0 CEADMP [NH3+]CCCCCCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000167716273 162359764 /nfs/dbraw/zinc/35/97/64/162359764.db2.gz CDSOHHHLJKWYMN-CQSZACIVSA-N 2 1 281.444 2.029 20 0 CEADMP C[C@@H](N[C@H]1C[N@@H+](C)C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358476764 287071533 /nfs/dbraw/zinc/07/15/33/287071533.db2.gz YWTBRQGGFWEQIV-AIANPOQGSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](N[C@H]1C[NH+](C)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358476764 287071538 /nfs/dbraw/zinc/07/15/38/287071538.db2.gz YWTBRQGGFWEQIV-AIANPOQGSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H](N[C@H]1C[NH+](C)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358476764 287071540 /nfs/dbraw/zinc/07/15/40/287071540.db2.gz YWTBRQGGFWEQIV-AIANPOQGSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358476764 287071545 /nfs/dbraw/zinc/07/15/45/287071545.db2.gz YWTBRQGGFWEQIV-AIANPOQGSA-N 2 1 279.472 2.179 20 0 CEADMP C[C@@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358476764 287071547 /nfs/dbraw/zinc/07/15/47/287071547.db2.gz YWTBRQGGFWEQIV-AIANPOQGSA-N 2 1 279.472 2.179 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1)C(C)C ZINC000173619162 165079774 /nfs/dbraw/zinc/07/97/74/165079774.db2.gz XDXYRJYKWUKDJP-HNNXBMFYSA-N 2 1 297.487 2.483 20 0 CEADMP Cc1ccc(N2CCC([NH2+]Cc3cccn3C)CC2)[nH+]c1 ZINC000174430681 165104669 /nfs/dbraw/zinc/10/46/69/165104669.db2.gz RTNDYVPBQIAYNT-UHFFFAOYSA-N 2 1 284.407 2.487 20 0 CEADMP CC(C)N1CCC[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1=O ZINC000178397028 165237426 /nfs/dbraw/zinc/23/74/26/165237426.db2.gz IZUCMYUTRYBHRS-HUUCEWRRSA-N 2 1 297.487 2.342 20 0 CEADMP CC(C)COCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020524023 171236316 /nfs/dbraw/zinc/23/63/16/171236316.db2.gz SSESWIVWEKORQO-GOOCMWNKSA-N 2 1 254.418 2.264 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000040599106 174350285 /nfs/dbraw/zinc/35/02/85/174350285.db2.gz MLYYFDBBPNWROW-HNNXBMFYSA-N 2 1 262.397 2.387 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1O ZINC000040620855 174354720 /nfs/dbraw/zinc/35/47/20/174354720.db2.gz HOAVLZFVQVGLGQ-AWEZNQCLSA-N 2 1 278.396 2.221 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1O ZINC000040620855 174354722 /nfs/dbraw/zinc/35/47/22/174354722.db2.gz HOAVLZFVQVGLGQ-AWEZNQCLSA-N 2 1 278.396 2.221 20 0 CEADMP C[C@H]1CCC[N@@H+](CCOCC(F)(F)F)[C@H]1CC[NH3+] ZINC000404355149 414781802 /nfs/dbraw/zinc/78/18/02/414781802.db2.gz ZAEOZEBKLYVYAI-QWRGUYRKSA-N 2 1 268.323 2.015 20 0 CEADMP CC(C)([NH3+])CCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662878159 414784135 /nfs/dbraw/zinc/78/41/35/414784135.db2.gz OYLSKOPGTQZWMT-CYBMUJFWSA-N 2 1 281.444 2.027 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000420911364 414808726 /nfs/dbraw/zinc/80/87/26/414808726.db2.gz GHTROMVYCHMERJ-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000420911364 414808731 /nfs/dbraw/zinc/80/87/31/414808731.db2.gz GHTROMVYCHMERJ-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCCC[N@H+]2C)CCO1 ZINC000420911364 414808738 /nfs/dbraw/zinc/80/87/38/414808738.db2.gz GHTROMVYCHMERJ-RBSFLKMASA-N 2 1 254.418 2.360 20 0 CEADMP c1cc(C[NH2+]C2CCN(C3CC3)CC2)n(CC2CC2)n1 ZINC000657295781 414840747 /nfs/dbraw/zinc/84/07/47/414840747.db2.gz YPLPWDINLDTQIM-UHFFFAOYSA-N 2 1 274.412 2.010 20 0 CEADMP CC(C)[N@@H+](C)CCCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657305369 414847328 /nfs/dbraw/zinc/84/73/28/414847328.db2.gz NFIZWXKRVHOORJ-UHFFFAOYSA-N 2 1 287.411 2.087 20 0 CEADMP CC(C)[N@@H+](C)CCCNCc1c(C2CC2)cnn1C ZINC000657305987 414847406 /nfs/dbraw/zinc/84/74/06/414847406.db2.gz WXTCBSIOALNHME-UHFFFAOYSA-N 2 1 264.417 2.117 20 0 CEADMP Cc1c[nH]c(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000657312937 414854568 /nfs/dbraw/zinc/85/45/68/414854568.db2.gz MUCPNBQXHGYKKF-BETUJISGSA-N 2 1 264.417 2.176 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000657323810 414857611 /nfs/dbraw/zinc/85/76/11/414857611.db2.gz DYXQPIKYFFXNLF-OWSLCNJRSA-N 2 1 288.435 2.258 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000657323810 414857613 /nfs/dbraw/zinc/85/76/13/414857613.db2.gz DYXQPIKYFFXNLF-OWSLCNJRSA-N 2 1 288.435 2.258 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000311847868 414862811 /nfs/dbraw/zinc/86/28/11/414862811.db2.gz VHWLIJXDYWUCBW-INIZCTEOSA-N 2 1 262.397 2.353 20 0 CEADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000312216435 414863527 /nfs/dbraw/zinc/86/35/27/414863527.db2.gz BTTRWIFSLROPMM-RHSMWYFYSA-N 2 1 272.392 2.238 20 0 CEADMP CC[N@@H+](CCCNC(=O)CCC[NH2+]C)C1CCCCC1 ZINC000653200309 414943046 /nfs/dbraw/zinc/94/30/46/414943046.db2.gz AALDOFOKVRULDE-UHFFFAOYSA-N 2 1 283.460 2.147 20 0 CEADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccccc1)C2 ZINC000660653340 414918533 /nfs/dbraw/zinc/91/85/33/414918533.db2.gz BFXCUNWNCLMLOC-KRWDZBQOSA-N 2 1 274.408 2.483 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccccc1)C2 ZINC000660653340 414918534 /nfs/dbraw/zinc/91/85/34/414918534.db2.gz BFXCUNWNCLMLOC-KRWDZBQOSA-N 2 1 274.408 2.483 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000660653340 414918539 /nfs/dbraw/zinc/91/85/39/414918539.db2.gz BFXCUNWNCLMLOC-KRWDZBQOSA-N 2 1 274.408 2.483 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000660653340 414918542 /nfs/dbraw/zinc/91/85/42/414918542.db2.gz BFXCUNWNCLMLOC-KRWDZBQOSA-N 2 1 274.408 2.483 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CNCc2cnc3n2CCC3)C1 ZINC000657414021 414918721 /nfs/dbraw/zinc/91/87/21/414918721.db2.gz SQCXNCHOMFLQGK-OAHLLOKOSA-N 2 1 290.455 2.287 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657414021 414918727 /nfs/dbraw/zinc/91/87/27/414918727.db2.gz SQCXNCHOMFLQGK-OAHLLOKOSA-N 3 1 290.455 2.287 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657414021 414918732 /nfs/dbraw/zinc/91/87/32/414918732.db2.gz SQCXNCHOMFLQGK-OAHLLOKOSA-N 3 1 290.455 2.287 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCCN(Cc1cncc(F)c1)C2 ZINC000660662642 414923873 /nfs/dbraw/zinc/92/38/73/414923873.db2.gz KHWUKMLQMMIRLB-HNNXBMFYSA-N 2 1 263.360 2.138 20 0 CEADMP CN(C)c1ccc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000660665680 414928152 /nfs/dbraw/zinc/92/81/52/414928152.db2.gz XEKMIUJZBGHKHA-KRWDZBQOSA-N 2 1 288.439 2.065 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000653176340 414937142 /nfs/dbraw/zinc/93/71/42/414937142.db2.gz QTGLDNRATKSJCM-AWEZNQCLSA-N 2 1 291.439 2.414 20 0 CEADMP c1ccc(C2CC2)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000314081973 414870164 /nfs/dbraw/zinc/87/01/64/414870164.db2.gz GLLKOHKRFNOYIJ-QGZVFWFLSA-N 2 1 285.435 2.044 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(C2CC2)cnn1C ZINC000657347504 414874483 /nfs/dbraw/zinc/87/44/83/414874483.db2.gz UTKLCTIFULSMKQ-GFCCVEGCSA-N 2 1 287.411 2.228 20 0 CEADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cnn2c1CCC2)C(C)(C)C ZINC000657364182 414886309 /nfs/dbraw/zinc/88/63/09/414886309.db2.gz WALHSVPGJXGUJF-OAHLLOKOSA-N 2 1 278.444 2.285 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)CO1 ZINC000657384853 414901372 /nfs/dbraw/zinc/90/13/72/414901372.db2.gz RJFHBKZMIBSAKK-HOTGVXAUSA-N 2 1 284.444 2.033 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)CO1 ZINC000657384851 414901964 /nfs/dbraw/zinc/90/19/64/414901964.db2.gz RJFHBKZMIBSAKK-CVEARBPZSA-N 2 1 284.444 2.033 20 0 CEADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2c[nH+]cn2c1 ZINC000654314423 414903176 /nfs/dbraw/zinc/90/31/76/414903176.db2.gz IKVSLOZETXTELS-CVEARBPZSA-N 2 1 298.390 2.081 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1ccc2c(c1)CCO2 ZINC000653279990 414973707 /nfs/dbraw/zinc/97/37/07/414973707.db2.gz RXKDSGBVLMFDOB-CZUORRHYSA-N 2 1 274.408 2.366 20 0 CEADMP COC1CC(CC[NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000657527552 414987873 /nfs/dbraw/zinc/98/78/73/414987873.db2.gz CBCZKUKXDGFPSX-UHFFFAOYSA-N 2 1 263.385 2.052 20 0 CEADMP C[C@@H]1CCN(CC(=O)Nc2ccc(-c3ncc[nH]3)cc2)C1 ZINC000654663402 414998983 /nfs/dbraw/zinc/99/89/83/414998983.db2.gz DPMREQVCRQYAKT-GFCCVEGCSA-N 2 1 284.363 2.357 20 0 CEADMP CC[C@@H](C)C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657595272 415016262 /nfs/dbraw/zinc/01/62/62/415016262.db2.gz GCCWSWXRGONZRZ-RHSMWYFYSA-N 2 1 276.424 2.389 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C/C=C\CO ZINC000657593035 415016541 /nfs/dbraw/zinc/01/65/41/415016541.db2.gz PUSWXZPJCPSDNB-FPLPWBNLSA-N 2 1 276.424 2.283 20 0 CEADMP CC1(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000657597600 415018413 /nfs/dbraw/zinc/01/84/13/415018413.db2.gz VJIFMROJAOAAHE-MRXNPFEDSA-N 2 1 274.408 2.143 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466367 414962098 /nfs/dbraw/zinc/96/20/98/414962098.db2.gz RTZWFPQWJKMKEB-KBMXLJTQSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCCF ZINC000663465643 414964295 /nfs/dbraw/zinc/96/42/95/414964295.db2.gz ZDSUQGVUKIAULR-NVXWUHKLSA-N 2 1 294.414 2.473 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCCF ZINC000663465643 414964299 /nfs/dbraw/zinc/96/42/99/414964299.db2.gz ZDSUQGVUKIAULR-NVXWUHKLSA-N 2 1 294.414 2.473 20 0 CEADMP CCC[NH+]1CCC(CNc2cc(CO)cc(C)[nH+]2)CC1 ZINC000663484607 414968964 /nfs/dbraw/zinc/96/89/64/414968964.db2.gz RBOJLJWRCCNIEU-UHFFFAOYSA-N 2 1 277.412 2.416 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000653600606 415051226 /nfs/dbraw/zinc/05/12/26/415051226.db2.gz JFFDRFRSWCHRBN-HOCLYGCPSA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000653600606 415051229 /nfs/dbraw/zinc/05/12/29/415051229.db2.gz JFFDRFRSWCHRBN-HOCLYGCPSA-N 2 1 264.413 2.267 20 0 CEADMP Cc1ccc(F)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751399 415068254 /nfs/dbraw/zinc/06/82/54/415068254.db2.gz IHDLJRUMYQFRTK-KRWDZBQOSA-N 2 1 292.398 2.477 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCOC(C)(C)C ZINC000657639084 415035150 /nfs/dbraw/zinc/03/51/50/415035150.db2.gz UQSCILVTYZFKHS-UHFFFAOYSA-N 2 1 265.401 2.442 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000660926164 415037493 /nfs/dbraw/zinc/03/74/93/415037493.db2.gz MHMJCJXROGBESQ-TZMCWYRMSA-N 2 1 292.414 2.491 20 0 CEADMP Fc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000657675609 415046276 /nfs/dbraw/zinc/04/62/76/415046276.db2.gz XYDVZKGEDRPTTK-BZUAXINKSA-N 2 1 290.382 2.346 20 0 CEADMP C1CC2(C1)C[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CO2 ZINC000657998710 415150789 /nfs/dbraw/zinc/15/07/89/415150789.db2.gz ADHLJJHEICQBSV-SHARSMKWSA-N 2 1 264.413 2.305 20 0 CEADMP FCC1(CF)CC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000657835806 415101457 /nfs/dbraw/zinc/10/14/57/415101457.db2.gz RDWHRUQXUXXBGE-LLVKDONJSA-N 2 1 258.356 2.148 20 0 CEADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000657842237 415101711 /nfs/dbraw/zinc/10/17/11/415101711.db2.gz ADDXVYJYPUUJME-HNNXBMFYSA-N 2 1 274.412 2.182 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](COC)CC2CCOCC2)C1 ZINC000657845338 415103327 /nfs/dbraw/zinc/10/33/27/415103327.db2.gz NEOXLNITLPSNIC-IRXDYDNUSA-N 2 1 298.471 2.140 20 0 CEADMP CCOC1CCC([NH2+]C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC000657841428 415103679 /nfs/dbraw/zinc/10/36/79/415103679.db2.gz PTYCJBYURNUHFS-WLYUNCDWSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657870256 415109235 /nfs/dbraw/zinc/10/92/35/415109235.db2.gz CYMGVWHPAZVPRO-GJZGRUSLSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657870256 415109238 /nfs/dbraw/zinc/10/92/38/415109238.db2.gz CYMGVWHPAZVPRO-GJZGRUSLSA-N 2 1 276.428 2.428 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657869525 415109544 /nfs/dbraw/zinc/10/95/44/415109544.db2.gz JJPULFONQGPZGG-OCCSQVGLSA-N 2 1 263.385 2.129 20 0 CEADMP CCC(C)(C)[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000653810728 415112432 /nfs/dbraw/zinc/11/24/32/415112432.db2.gz OGDIVYBNODAMCJ-OAHLLOKOSA-N 2 1 267.461 2.277 20 0 CEADMP CCC(C)(C)[NH+]1CCN(CCCc2c[nH+]cn2C)CC1 ZINC000653811723 415115046 /nfs/dbraw/zinc/11/50/46/415115046.db2.gz WAJODOHFYDVARY-UHFFFAOYSA-N 2 1 278.444 2.159 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1COC2(CCC2)C1)C1CC1 ZINC000658033176 415164000 /nfs/dbraw/zinc/16/40/00/415164000.db2.gz WDOSOXCFALKNLQ-CYBMUJFWSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc2ccncc2s1 ZINC000657973829 415141638 /nfs/dbraw/zinc/14/16/38/415141638.db2.gz JHLARFFCPREKCI-NHYWBVRUSA-N 2 1 291.420 2.014 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000658042955 415171592 /nfs/dbraw/zinc/17/15/92/415171592.db2.gz KKFZKWDDFIKTLA-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccn1 ZINC000658066469 415186725 /nfs/dbraw/zinc/18/67/25/415186725.db2.gz LXAFOXGPPJGKNQ-GOEBONIOSA-N 2 1 289.423 2.028 20 0 CEADMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000658091689 415206302 /nfs/dbraw/zinc/20/63/02/415206302.db2.gz NCEPCWIWSXRRJS-OAHLLOKOSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)O1 ZINC000658216286 415259192 /nfs/dbraw/zinc/25/91/92/415259192.db2.gz QDQSKOWLZDPZKL-DOMZBBRYSA-N 2 1 252.402 2.160 20 0 CEADMP CC1(C)[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1(F)F ZINC000658282001 415295319 /nfs/dbraw/zinc/29/53/19/415295319.db2.gz SMOUFLPGZFPFNL-OLZOCXBDSA-N 2 1 288.382 2.121 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2(C)C)[C@@H](C)C1 ZINC000658328287 415318862 /nfs/dbraw/zinc/31/88/62/415318862.db2.gz AFWXNNLMCZGLST-IHRRRGAJSA-N 2 1 254.418 2.121 20 0 CEADMP CCC(CC)[C@@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655711674 415403578 /nfs/dbraw/zinc/40/35/78/415403578.db2.gz KTFNMTANHXTCJH-IRXDYDNUSA-N 2 1 298.471 2.017 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CS1 ZINC000655712829 415405380 /nfs/dbraw/zinc/40/53/80/415405380.db2.gz VZFIEIICRNDYGO-KFWWJZLASA-N 2 1 286.485 2.097 20 0 CEADMP CC1(C)C[C@@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655729749 415417559 /nfs/dbraw/zinc/41/75/59/415417559.db2.gz JOGNZSFRDAAUNV-HIFRSBDPSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655731472 415419140 /nfs/dbraw/zinc/41/91/40/415419140.db2.gz YEEPMFFLVSKATB-ZDUSSCGKSA-N 2 1 287.411 2.150 20 0 CEADMP CCC(CC)(CO)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655737715 415422623 /nfs/dbraw/zinc/42/26/23/415422623.db2.gz NTROQGKUMAQDFC-INIZCTEOSA-N 2 1 298.471 2.018 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@](O)(C2CC2)C1 ZINC000661630888 415370505 /nfs/dbraw/zinc/37/05/05/415370505.db2.gz DDTWVWPZEFXHKQ-JKSUJKDBSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661630888 415370508 /nfs/dbraw/zinc/37/05/08/415370508.db2.gz DDTWVWPZEFXHKQ-JKSUJKDBSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661630888 415370511 /nfs/dbraw/zinc/37/05/11/415370511.db2.gz DDTWVWPZEFXHKQ-JKSUJKDBSA-N 2 1 266.429 2.098 20 0 CEADMP CC(C)Cc1noc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000063200855 175685962 /nfs/dbraw/zinc/68/59/62/175685962.db2.gz JRHZGROCOLKFLG-AWEZNQCLSA-N 2 1 292.427 2.232 20 0 CEADMP C[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655762187 415441010 /nfs/dbraw/zinc/44/10/10/415441010.db2.gz BVEBJGWYTHCOJD-YCPHGPKFSA-N 2 1 266.429 2.266 20 0 CEADMP CCC(O)(CC)CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655760382 415441291 /nfs/dbraw/zinc/44/12/91/415441291.db2.gz OPBMRESRBUNRSG-INIZCTEOSA-N 2 1 298.471 2.161 20 0 CEADMP c1cc2c(nc[nH+]c2NC[C@@H]2CCC[N@H+](CC3CC3)C2)[nH]1 ZINC000664680355 415451792 /nfs/dbraw/zinc/45/17/92/415451792.db2.gz ZCDHZRKFZMZLNB-ZDUSSCGKSA-N 2 1 285.395 2.492 20 0 CEADMP c1cc2c(nc[nH+]c2NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[nH]1 ZINC000664680355 415451798 /nfs/dbraw/zinc/45/17/98/415451798.db2.gz ZCDHZRKFZMZLNB-ZDUSSCGKSA-N 2 1 285.395 2.492 20 0 CEADMP c1ccc2c(CC[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)noc2c1 ZINC000655938033 415555881 /nfs/dbraw/zinc/55/58/81/415555881.db2.gz JOGCEWWLQWTHSX-INIZCTEOSA-N 2 1 271.364 2.056 20 0 CEADMP c1ccc2c(CC[N@H+]3CC[C@]4(CC[NH2+]C4)C3)noc2c1 ZINC000655938033 415555885 /nfs/dbraw/zinc/55/58/85/415555885.db2.gz JOGCEWWLQWTHSX-INIZCTEOSA-N 2 1 271.364 2.056 20 0 CEADMP CC[C@H]1C[N@@H+](CCc2noc3ccccc32)CC[C@@H]1[NH3+] ZINC000655939378 415559651 /nfs/dbraw/zinc/55/96/51/415559651.db2.gz OKVWXLSZBUUYBB-JSGCOSHPSA-N 2 1 273.380 2.430 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCc3noc4ccccc43)C[C@@H]12 ZINC000655938620 415560394 /nfs/dbraw/zinc/56/03/94/415560394.db2.gz ZEFUBWWQYYHVGM-IACUBPJLSA-N 2 1 271.364 2.039 20 0 CEADMP Cc1[nH]c2nc[nH+]c(NC[C@H]3C[C@@H]([NH+](C)C)C3)c2c1C ZINC000656210755 415644150 /nfs/dbraw/zinc/64/41/50/415644150.db2.gz IKRJXDOZEOZIKD-TXEJJXNPSA-N 2 1 273.384 2.327 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000665248703 415649014 /nfs/dbraw/zinc/64/90/14/415649014.db2.gz AMMFFBSMNNEFFC-LBPRGKRZSA-N 2 1 287.407 2.493 20 0 CEADMP c1ccc([C@H]2CC[NH2+]C[C@H]2N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000665251312 415651977 /nfs/dbraw/zinc/65/19/77/415651977.db2.gz MOBUTQISPKWEAE-NCXUSEDFSA-N 2 1 299.462 2.349 20 0 CEADMP C[C@@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000665266710 415658324 /nfs/dbraw/zinc/65/83/24/415658324.db2.gz IDDVEWVHJAJTMQ-FMKPAKJESA-N 2 1 265.445 2.124 20 0 CEADMP CCc1ccccc1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152639 415658825 /nfs/dbraw/zinc/65/88/25/415658825.db2.gz WJRZLTWYTDLLGS-SFHVURJKSA-N 2 1 288.435 2.280 20 0 CEADMP CCc1ccccc1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152639 415658832 /nfs/dbraw/zinc/65/88/32/415658832.db2.gz WJRZLTWYTDLLGS-SFHVURJKSA-N 2 1 288.435 2.280 20 0 CEADMP C[C@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000665268128 415660829 /nfs/dbraw/zinc/66/08/29/415660829.db2.gz IDDVEWVHJAJTMQ-OFQRWUPVSA-N 2 1 265.445 2.124 20 0 CEADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276421 415666709 /nfs/dbraw/zinc/66/67/09/415666709.db2.gz CBFVRJYRPIFOSH-PTXATLKXSA-N 2 1 272.392 2.414 20 0 CEADMP CO[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)C1CCCC1 ZINC000665275286 415668144 /nfs/dbraw/zinc/66/81/44/415668144.db2.gz GOBSRJZIAGRRNH-ABAIWWIYSA-N 2 1 263.385 2.350 20 0 CEADMP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665278054 415671310 /nfs/dbraw/zinc/67/13/10/415671310.db2.gz UCDOVYPWNBFTOG-LMMWMHBBSA-N 2 1 286.419 2.496 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000665282935 415673568 /nfs/dbraw/zinc/67/35/68/415673568.db2.gz DZLJJSFYNLEDCT-ZYHUDNBSSA-N 2 1 298.333 2.486 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000665297366 415685979 /nfs/dbraw/zinc/68/59/79/415685979.db2.gz DRPFMJRLDNYMJD-YXAMBPQSSA-N 2 1 262.397 2.385 20 0 CEADMP C(=C/c1ccccc1)\C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000070945472 176016478 /nfs/dbraw/zinc/01/64/78/176016478.db2.gz XCADCBMFHYSWRO-RMKNXTFCSA-N 2 1 299.462 2.413 20 0 CEADMP CC(C)[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662253060 415716068 /nfs/dbraw/zinc/71/60/68/415716068.db2.gz UARMEBNJWGGWGN-AWEZNQCLSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255695 415720329 /nfs/dbraw/zinc/72/03/29/415720329.db2.gz DKKNTBUGEVHVRE-DJIMGWMZSA-N 2 1 286.419 2.385 20 0 CEADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255696 415721140 /nfs/dbraw/zinc/72/11/40/415721140.db2.gz DKKNTBUGEVHVRE-HYVNUMGLSA-N 2 1 286.419 2.385 20 0 CEADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257162 415726471 /nfs/dbraw/zinc/72/64/71/415726471.db2.gz QIOWONLQQVWCAN-KKUMJFAQSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1ccccc1[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258713 415728811 /nfs/dbraw/zinc/72/88/11/415728811.db2.gz WXAIQCQHDDPXBO-HZPDHXFCSA-N 2 1 286.419 2.305 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1CCC1 ZINC000662266424 415732964 /nfs/dbraw/zinc/73/29/64/415732964.db2.gz YLENFBHEENQTHG-HRCADAONSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCc1ccc2c(c1)OC(F)(F)O2 ZINC000662266355 415732985 /nfs/dbraw/zinc/73/29/85/415732985.db2.gz WOPHVZYDJVGCGZ-ZYHUDNBSSA-N 2 1 298.333 2.220 20 0 CEADMP CO[C@@H](C[N@@H+](C)C1CC[NH2+]CC1)C1CCCCC1 ZINC000662238481 415703119 /nfs/dbraw/zinc/70/31/19/415703119.db2.gz QPMWLZPHUTZZPV-HNNXBMFYSA-N 2 1 254.418 2.266 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1Cl ZINC000662242398 415704118 /nfs/dbraw/zinc/70/41/18/415704118.db2.gz DTPXUKDBLNFMSB-JTQLQIEISA-N 2 1 254.761 2.129 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1Cl ZINC000662242398 415704121 /nfs/dbraw/zinc/70/41/21/415704121.db2.gz DTPXUKDBLNFMSB-JTQLQIEISA-N 2 1 254.761 2.129 20 0 CEADMP CCOc1ccc(C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249421 415710612 /nfs/dbraw/zinc/71/06/12/415710612.db2.gz NHBHDJLDTJDNHI-INIZCTEOSA-N 2 1 290.407 2.038 20 0 CEADMP C[N@H+](Cc1ccccc1Cl)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249231 415711464 /nfs/dbraw/zinc/71/14/64/415711464.db2.gz KBYJSQVGDGAPEB-CYBMUJFWSA-N 2 1 280.799 2.293 20 0 CEADMP CCC1CCC([N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662250215 415711604 /nfs/dbraw/zinc/71/16/04/415711604.db2.gz AXWSFAQDCWBYFH-NRXISQOPSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH2+]C(C)(C)c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455304 415714460 /nfs/dbraw/zinc/71/44/60/415714460.db2.gz CGHYOEZPAFCBMF-OAHLLOKOSA-N 2 1 299.422 2.180 20 0 CEADMP CCOc1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)ccc1O ZINC000656496079 415739448 /nfs/dbraw/zinc/73/94/48/415739448.db2.gz MOXPYSBLYYTWMI-ZDUSSCGKSA-N 2 1 287.363 2.092 20 0 CEADMP Cc1nnsc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662272371 415739888 /nfs/dbraw/zinc/73/98/88/415739888.db2.gz FMQDQCXNZDXREB-QWHCGFSZSA-N 2 1 280.441 2.058 20 0 CEADMP CCc1nocc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662276775 415742714 /nfs/dbraw/zinc/74/27/14/415742714.db2.gz PSCXXFFYLRHNBC-SWLSCSKDSA-N 2 1 263.385 2.201 20 0 CEADMP CCc1nocc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662276775 415742717 /nfs/dbraw/zinc/74/27/17/415742717.db2.gz PSCXXFFYLRHNBC-SWLSCSKDSA-N 2 1 263.385 2.201 20 0 CEADMP CC1(C)CCCC[C@@H]1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662277037 415744801 /nfs/dbraw/zinc/74/48/01/415744801.db2.gz QHNZDXVGPFPQJK-CVEARBPZSA-N 2 1 279.472 2.182 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)CCCO1 ZINC000662280300 415745194 /nfs/dbraw/zinc/74/51/94/415745194.db2.gz CFTLNDJPCHMKDO-HZPDHXFCSA-N 2 1 274.408 2.156 20 0 CEADMP CC[N@H+]1C[C@H](C)N(Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662276931 415745826 /nfs/dbraw/zinc/74/58/26/415745826.db2.gz AOUWLWYGRIKAEY-GJZGRUSLSA-N 2 1 287.451 2.247 20 0 CEADMP CCN1C[C@H](C)[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662276931 415745833 /nfs/dbraw/zinc/74/58/33/415745833.db2.gz AOUWLWYGRIKAEY-GJZGRUSLSA-N 2 1 287.451 2.247 20 0 CEADMP CCN1C[C@H](C)[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662276931 415745839 /nfs/dbraw/zinc/74/58/39/415745839.db2.gz AOUWLWYGRIKAEY-GJZGRUSLSA-N 2 1 287.451 2.247 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc(C)n1 ZINC000662272590 415737668 /nfs/dbraw/zinc/73/76/68/415737668.db2.gz GHWRYHITTCKLPW-HZPDHXFCSA-N 2 1 288.439 2.305 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]3OCC[C@@H]31)C[NH2+]CC2 ZINC000662297965 415761394 /nfs/dbraw/zinc/76/13/94/415761394.db2.gz KOHVSSWMSQMZJL-IRXDYDNUSA-N 2 1 272.392 2.086 20 0 CEADMP C[N@H+](CCC(=O)NCc1ccccc1Cl)CC(C)(C)[NH3+] ZINC000662297304 415762539 /nfs/dbraw/zinc/76/25/39/415762539.db2.gz JNCNWHYGUIEOLH-UHFFFAOYSA-N 2 1 297.830 2.015 20 0 CEADMP C[N@@H+](CCC(=O)NCc1ccccc1Cl)CC(C)(C)[NH3+] ZINC000662297304 415762543 /nfs/dbraw/zinc/76/25/43/415762543.db2.gz JNCNWHYGUIEOLH-UHFFFAOYSA-N 2 1 297.830 2.015 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]1CCO ZINC000662302299 415766409 /nfs/dbraw/zinc/76/64/09/415766409.db2.gz MHSNDAHLAJUTKD-KBXCAEBGSA-N 2 1 288.435 2.315 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1)[C@H]1CC[NH2+]C1 ZINC000662317641 415776083 /nfs/dbraw/zinc/77/60/83/415776083.db2.gz YLCFVAPEOKGDQT-OWCLPIDISA-N 2 1 266.429 2.267 20 0 CEADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296015 415758444 /nfs/dbraw/zinc/75/84/44/415758444.db2.gz JWPYXWATBJHZRO-HIFRSBDPSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)[NH2+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000662459257 415852188 /nfs/dbraw/zinc/85/21/88/415852188.db2.gz DZRLYLHLQLUSMH-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP FC(F)(F)C[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000662325696 415780314 /nfs/dbraw/zinc/78/03/14/415780314.db2.gz IGMDDCSLPSFKGR-NEPJUHHUSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)C[C@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000662325696 415780317 /nfs/dbraw/zinc/78/03/17/415780317.db2.gz IGMDDCSLPSFKGR-NEPJUHHUSA-N 2 1 280.334 2.029 20 0 CEADMP C(C[N@H+]1CCC[C@H](C2CCCCC2)C1)N1CC[NH2+]CC1 ZINC000662324363 415782301 /nfs/dbraw/zinc/78/23/01/415782301.db2.gz WHMKHLPOGFQZAD-KRWDZBQOSA-N 2 1 279.472 2.184 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC2=CCCC2)CCO1 ZINC000662325077 415782602 /nfs/dbraw/zinc/78/26/02/415782602.db2.gz BMKARAAIZFYYHR-OAHLLOKOSA-N 2 1 252.402 2.139 20 0 CEADMP c1cc2c(nc[nH+]c2N2CCC([C@@H]3CCC[NH2+]C3)CC2)[nH]1 ZINC000656608557 415784040 /nfs/dbraw/zinc/78/40/40/415784040.db2.gz LBPQKYMMTNHYML-CYBMUJFWSA-N 2 1 285.395 2.174 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C1CCCCC1 ZINC000659925142 415784826 /nfs/dbraw/zinc/78/48/26/415784826.db2.gz IKJVHEBOSCNXLA-GOEBONIOSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@]1(C(F)F)C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662334908 415786642 /nfs/dbraw/zinc/78/66/42/415786642.db2.gz DAGJPQPETPJWGU-MRXNPFEDSA-N 2 1 296.361 2.188 20 0 CEADMP C[C@]1(C(F)F)C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662334908 415786649 /nfs/dbraw/zinc/78/66/49/415786649.db2.gz DAGJPQPETPJWGU-MRXNPFEDSA-N 2 1 296.361 2.188 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc3c(n2)CCC3)C1 ZINC000656622229 415790262 /nfs/dbraw/zinc/79/02/62/415790262.db2.gz HKKGVXFNZMKUAZ-YJBOKZPZSA-N 2 1 285.435 2.486 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3c(n2)CCC3)C1 ZINC000656622229 415790265 /nfs/dbraw/zinc/79/02/65/415790265.db2.gz HKKGVXFNZMKUAZ-YJBOKZPZSA-N 2 1 285.435 2.486 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3c(n2)CCC3)C1 ZINC000656622229 415790271 /nfs/dbraw/zinc/79/02/71/415790271.db2.gz HKKGVXFNZMKUAZ-YJBOKZPZSA-N 2 1 285.435 2.486 20 0 CEADMP FC1(F)C[C@@H]1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659955868 415807556 /nfs/dbraw/zinc/80/75/56/415807556.db2.gz FIBLNUOZYDSPTM-KBPBESRZSA-N 2 1 288.382 2.218 20 0 CEADMP FC1(F)C[C@@H]1OCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659955868 415807563 /nfs/dbraw/zinc/80/75/63/415807563.db2.gz FIBLNUOZYDSPTM-KBPBESRZSA-N 2 1 288.382 2.218 20 0 CEADMP CN(CC(C)(C)[NH3+])C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000662611003 415903374 /nfs/dbraw/zinc/90/33/74/415903374.db2.gz VOXMPGCWYNLTHU-CYBMUJFWSA-N 2 1 297.830 2.138 20 0 CEADMP CC(C)=CCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000660156907 415907383 /nfs/dbraw/zinc/90/73/83/415907383.db2.gz SGUXRXOGXOKXDV-SJORKVTESA-N 2 1 279.472 2.301 20 0 CEADMP C[C@H](CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)C1CC[NH2+]CC1 ZINC000662623629 415908374 /nfs/dbraw/zinc/90/83/74/415908374.db2.gz ZLQFSRNRSRMRKA-HIFRSBDPSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCc2ccccc2C1(C)C ZINC000660171182 415914838 /nfs/dbraw/zinc/91/48/38/415914838.db2.gz JIXPVEWUMLKPHQ-MRXNPFEDSA-N 2 1 290.451 2.481 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCc2ccccc2C1(C)C ZINC000660171182 415914843 /nfs/dbraw/zinc/91/48/43/415914843.db2.gz JIXPVEWUMLKPHQ-MRXNPFEDSA-N 2 1 290.451 2.481 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCc2ccccc2C1(C)C ZINC000660171182 415914845 /nfs/dbraw/zinc/91/48/45/415914845.db2.gz JIXPVEWUMLKPHQ-MRXNPFEDSA-N 2 1 290.451 2.481 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCc2ccccc2C1(C)C ZINC000660171182 415914850 /nfs/dbraw/zinc/91/48/50/415914850.db2.gz JIXPVEWUMLKPHQ-MRXNPFEDSA-N 2 1 290.451 2.481 20 0 CEADMP CC[C@H]([NH2+]C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000662486993 415860996 /nfs/dbraw/zinc/86/09/96/415860996.db2.gz NVDXLMAIXYLUKG-ZBFHGGJFSA-N 2 1 291.439 2.011 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788451 415862353 /nfs/dbraw/zinc/86/23/53/415862353.db2.gz PSBCXEUPAGFHCU-UHFFFAOYSA-N 2 1 250.390 2.068 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cc3ccccc3[nH]c2=O)CCCC1 ZINC000656788605 415862723 /nfs/dbraw/zinc/86/27/23/415862723.db2.gz VDQRAQLUZVGNJR-UHFFFAOYSA-N 2 1 271.364 2.302 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000359944477 287348283 /nfs/dbraw/zinc/34/82/83/287348283.db2.gz UUEBWGPICQEATM-IKGGRYGDSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000359944477 287348285 /nfs/dbraw/zinc/34/82/85/287348285.db2.gz UUEBWGPICQEATM-IKGGRYGDSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000359944477 287348286 /nfs/dbraw/zinc/34/82/86/287348286.db2.gz UUEBWGPICQEATM-IKGGRYGDSA-N 3 1 281.488 2.428 20 0 CEADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCN(C)C[C@@H]2C)C1 ZINC000359944477 287348288 /nfs/dbraw/zinc/34/82/88/287348288.db2.gz UUEBWGPICQEATM-IKGGRYGDSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCN(C)C[C@@H]2C)C1 ZINC000359944477 287348289 /nfs/dbraw/zinc/34/82/89/287348289.db2.gz UUEBWGPICQEATM-IKGGRYGDSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nccn1-c1ccccc1 ZINC000566737871 299019259 /nfs/dbraw/zinc/01/92/59/299019259.db2.gz NTEKWEWCROQUSU-QWHCGFSZSA-N 2 1 258.369 2.088 20 0 CEADMP CCn1cncc1C[NH2+]CCN1[C@@H](C)CCC[C@@H]1C ZINC000417923634 227182270 /nfs/dbraw/zinc/18/22/70/227182270.db2.gz VPDRRRGUADPTOQ-KBPBESRZSA-N 2 1 264.417 2.256 20 0 CEADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cn2cccc(F)c2n1 ZINC000666743472 419411806 /nfs/dbraw/zinc/41/18/06/419411806.db2.gz RGIOXZJGELDDPN-BXUZGUMPSA-N 2 1 276.359 2.081 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc2ccccc2nc1OC ZINC000666796277 419432450 /nfs/dbraw/zinc/43/24/50/419432450.db2.gz FXYSWAATWPJQOA-LBPRGKRZSA-N 2 1 273.380 2.189 20 0 CEADMP Cc1ccncc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000135498575 419441900 /nfs/dbraw/zinc/44/19/00/419441900.db2.gz GUDUKKPZDMXNFK-ZBFHGGJFSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ccncc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000135498575 419441908 /nfs/dbraw/zinc/44/19/08/419441908.db2.gz GUDUKKPZDMXNFK-ZBFHGGJFSA-N 2 1 259.397 2.354 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1nccc2ccccc21 ZINC000666879614 419455342 /nfs/dbraw/zinc/45/53/42/419455342.db2.gz GLCSYJKBFFRELP-DOMZBBRYSA-N 2 1 255.365 2.322 20 0 CEADMP COc1cccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1F ZINC000666901584 419460706 /nfs/dbraw/zinc/46/07/06/419460706.db2.gz UHAJMNHNQMJFGV-ZDUSSCGKSA-N 2 1 266.360 2.312 20 0 CEADMP Cc1cc(NC(=O)NCC[C@@H](C)[NH+](C)C)cn2cc[nH+]c12 ZINC000667147993 419561031 /nfs/dbraw/zinc/56/10/31/419561031.db2.gz OKZBDPDBUYNYPX-GFCCVEGCSA-N 2 1 289.383 2.104 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000666981178 419500932 /nfs/dbraw/zinc/50/09/32/419500932.db2.gz YFCGILJUZGQOPX-HNNXBMFYSA-N 2 1 289.423 2.042 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996831 419505638 /nfs/dbraw/zinc/50/56/38/419505638.db2.gz HUEWWPMCAHXMSP-AWEZNQCLSA-N 2 1 284.407 2.407 20 0 CEADMP CCCn1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000666996755 419505840 /nfs/dbraw/zinc/50/58/40/419505840.db2.gz DHGOKWMONVTKED-AWEZNQCLSA-N 2 1 262.401 2.057 20 0 CEADMP CC1(C)CC[N@@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000667621277 419736216 /nfs/dbraw/zinc/73/62/16/419736216.db2.gz DZXZFZVAHIJNMC-UHFFFAOYSA-N 2 1 256.353 2.499 20 0 CEADMP CC1(C)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667621277 419736227 /nfs/dbraw/zinc/73/62/27/419736227.db2.gz DZXZFZVAHIJNMC-UHFFFAOYSA-N 2 1 256.353 2.499 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)CC(=O)N(C)C2CCCCC2)CC[NH2+]1 ZINC000666620235 419747154 /nfs/dbraw/zinc/74/71/54/419747154.db2.gz NFJXMSKTOIHHLI-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+](CCCCNC(=O)Nc1cccc(C[NH3+])c1)C1CC1 ZINC000667732773 419785372 /nfs/dbraw/zinc/78/53/72/419785372.db2.gz SOESESFLODULHL-UHFFFAOYSA-N 2 1 290.411 2.141 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667853682 419828522 /nfs/dbraw/zinc/82/85/22/419828522.db2.gz LCNIPUCMPGQEJQ-BMFZPTHFSA-N 2 1 266.429 2.264 20 0 CEADMP c1cn(CCC[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cn1 ZINC000518179296 260350557 /nfs/dbraw/zinc/35/05/57/260350557.db2.gz TXSBKTSLVJYXEU-HUUCEWRRSA-N 2 1 263.385 2.164 20 0 CEADMP CC[C@H]1C[N@@H+](C)CCN1Cc1cnc2cccc(C)n12 ZINC000517046672 262072335 /nfs/dbraw/zinc/07/23/35/262072335.db2.gz FJZCUIVEHCLPTG-AWEZNQCLSA-N 2 1 272.396 2.169 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390521465 262206077 /nfs/dbraw/zinc/20/60/77/262206077.db2.gz GQRPZMJCVMPESJ-KSZLIROESA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390521465 262206079 /nfs/dbraw/zinc/20/60/79/262206079.db2.gz GQRPZMJCVMPESJ-KSZLIROESA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+]Cc1ccc(C[NH2+]Cc2nccn2CC(F)(F)F)cc1 ZINC000521436455 262336982 /nfs/dbraw/zinc/33/69/82/262336982.db2.gz XLXPAEKUVYNBLH-UHFFFAOYSA-N 2 1 298.312 2.194 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000414774074 263043393 /nfs/dbraw/zinc/04/33/93/263043393.db2.gz XZESRTXAOJZANY-IYBDPMFKSA-N 2 1 290.455 2.341 20 0 CEADMP C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@@H]1CCOC1 ZINC000438117656 263044367 /nfs/dbraw/zinc/04/43/67/263044367.db2.gz GMXLYOCATHWYJS-INMHGKMJSA-N 2 1 278.440 2.362 20 0 CEADMP C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CCOC1 ZINC000438117656 263044368 /nfs/dbraw/zinc/04/43/68/263044368.db2.gz GMXLYOCATHWYJS-INMHGKMJSA-N 2 1 278.440 2.362 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)C1CC1 ZINC000453396368 263263249 /nfs/dbraw/zinc/26/32/49/263263249.db2.gz ILLPTDIAFXDMJT-RBSFLKMASA-N 2 1 266.429 2.264 20 0 CEADMP CCOC[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000453411761 263268656 /nfs/dbraw/zinc/26/86/56/263268656.db2.gz BIUQBOJJCRISNF-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP CCOC[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000453411761 263268657 /nfs/dbraw/zinc/26/86/57/263268657.db2.gz BIUQBOJJCRISNF-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP COc1ccc(C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1F ZINC000430581249 263310515 /nfs/dbraw/zinc/31/05/15/263310515.db2.gz UEMHLKLCFPGFKD-AWEZNQCLSA-N 2 1 252.333 2.051 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CC2)C[C@H]1C ZINC000425420591 264312217 /nfs/dbraw/zinc/31/22/17/264312217.db2.gz LCAXREXVWUTPGW-VHDGCEQUSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)C2CC2)C[C@H]1C ZINC000425420591 264312218 /nfs/dbraw/zinc/31/22/18/264312218.db2.gz LCAXREXVWUTPGW-VHDGCEQUSA-N 2 1 254.418 2.216 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)C2CC2)C[C@H]1C ZINC000425420591 264312219 /nfs/dbraw/zinc/31/22/19/264312219.db2.gz LCAXREXVWUTPGW-VHDGCEQUSA-N 2 1 254.418 2.216 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H](O)Cc2ccccc2)C[C@@H]1C ZINC000425428364 264315546 /nfs/dbraw/zinc/31/55/46/264315546.db2.gz WLPUIMGKVVDIOY-JQHSSLGASA-N 2 1 290.451 2.395 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H](O)Cc2ccccc2)C[C@@H]1C ZINC000425428364 264315548 /nfs/dbraw/zinc/31/55/48/264315548.db2.gz WLPUIMGKVVDIOY-JQHSSLGASA-N 2 1 290.451 2.395 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2)C[C@@H]1C ZINC000425428364 264315552 /nfs/dbraw/zinc/31/55/52/264315552.db2.gz WLPUIMGKVVDIOY-JQHSSLGASA-N 2 1 290.451 2.395 20 0 CEADMP CCOC(=O)C1CCC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000313737729 270333590 /nfs/dbraw/zinc/33/35/90/270333590.db2.gz NMMCJAKGOUSKOP-QQFBHYJXSA-N 2 1 296.455 2.428 20 0 CEADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322855447 270335532 /nfs/dbraw/zinc/33/55/32/270335532.db2.gz ROQFHXCKHSJISA-WTXIUTQJSA-N 2 1 276.428 2.123 20 0 CEADMP C[N@@H+](CCOc1cccc(Br)c1)C1CC([NH3+])C1 ZINC000395144703 270345274 /nfs/dbraw/zinc/34/52/74/270345274.db2.gz UUEIPRWHLICLTF-UHFFFAOYSA-N 2 1 299.212 2.249 20 0 CEADMP COc1cc(C)nc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000397253193 270352185 /nfs/dbraw/zinc/35/21/85/270352185.db2.gz QCZACQLQXWGNIO-UBHSHLNASA-N 2 1 277.412 2.204 20 0 CEADMP COc1cc(C)nc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000397253193 270352187 /nfs/dbraw/zinc/35/21/87/270352187.db2.gz QCZACQLQXWGNIO-UBHSHLNASA-N 2 1 277.412 2.204 20 0 CEADMP Cc1csc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)n1 ZINC000397245515 270352206 /nfs/dbraw/zinc/35/22/06/270352206.db2.gz AQSHNVXEGRLRND-JLLWLGSASA-N 2 1 253.415 2.257 20 0 CEADMP Cc1csc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)n1 ZINC000397245515 270352207 /nfs/dbraw/zinc/35/22/07/270352207.db2.gz AQSHNVXEGRLRND-JLLWLGSASA-N 2 1 253.415 2.257 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398140399 270356631 /nfs/dbraw/zinc/35/66/31/270356631.db2.gz WCWIQDXQPIMSOK-BGTYHANMSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])CN1Cc1ccccc1 ZINC000398140399 270356633 /nfs/dbraw/zinc/35/66/33/270356633.db2.gz WCWIQDXQPIMSOK-BGTYHANMSA-N 2 1 287.451 2.366 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323594 270517529 /nfs/dbraw/zinc/51/75/29/270517529.db2.gz GFQZCFPQGSHUMM-HOTGVXAUSA-N 3 1 267.461 2.040 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331082 270520485 /nfs/dbraw/zinc/52/04/85/270520485.db2.gz QOXULIPIPUUKSW-HUUCEWRRSA-N 2 1 282.428 2.041 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CCCCN2)CC1 ZINC000422735273 270744989 /nfs/dbraw/zinc/74/49/89/270744989.db2.gz DUJQFFDGZNQQJT-ZBFHGGJFSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000422778327 270762839 /nfs/dbraw/zinc/76/28/39/270762839.db2.gz DJXPTNTVUWIYSS-DZGCQCFKSA-N 2 1 254.418 2.313 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)NCCC[N@@H+](C)C1CCCCC1 ZINC000422804116 270776819 /nfs/dbraw/zinc/77/68/19/270776819.db2.gz KAPYNLBFBQVQQS-ZIAGYGMSSA-N 2 1 255.450 2.356 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000422804116 270776822 /nfs/dbraw/zinc/77/68/22/270776822.db2.gz KAPYNLBFBQVQQS-ZIAGYGMSSA-N 3 1 255.450 2.356 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000422804116 270776824 /nfs/dbraw/zinc/77/68/24/270776824.db2.gz KAPYNLBFBQVQQS-ZIAGYGMSSA-N 3 1 255.450 2.356 20 0 CEADMP CC[C@@H](NC[C@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423080732 270831323 /nfs/dbraw/zinc/83/13/23/270831323.db2.gz ZZKKKIDQFYJLAO-OAGGEKHMSA-N 2 1 265.445 2.124 20 0 CEADMP COC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423089899 270833797 /nfs/dbraw/zinc/83/37/97/270833797.db2.gz UECGYEIVIFDZRS-CQSZACIVSA-N 2 1 268.788 2.369 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccncc1OCC(F)F ZINC000423107554 270838568 /nfs/dbraw/zinc/83/85/68/270838568.db2.gz SJURDXRHWITPPZ-YPMHNXCESA-N 2 1 299.365 2.203 20 0 CEADMP C[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423250567 270882183 /nfs/dbraw/zinc/88/21/83/270882183.db2.gz UNBWFQNDQVYWOO-RCCFBDPRSA-N 2 1 287.451 2.239 20 0 CEADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423310709 270894109 /nfs/dbraw/zinc/89/41/09/270894109.db2.gz AUXPZVHWUUMQOG-KGLIPLIRSA-N 2 1 264.344 2.149 20 0 CEADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000423360737 270904091 /nfs/dbraw/zinc/90/40/91/270904091.db2.gz QQZUMSGYXUPRDE-QLFBSQMISA-N 2 1 282.428 2.230 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cn1 ZINC000423374762 270907183 /nfs/dbraw/zinc/90/71/83/270907183.db2.gz IKGUTFQHZJSRMU-RTXFEEFZSA-N 2 1 251.349 2.402 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cncn2C(C)C)C1 ZINC000424151184 271025542 /nfs/dbraw/zinc/02/55/42/271025542.db2.gz HBHOGLZCOCVTIY-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cncn2C(C)C)C1 ZINC000424151184 271025544 /nfs/dbraw/zinc/02/55/44/271025544.db2.gz HBHOGLZCOCVTIY-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C[C@H]2C1 ZINC000424253438 271035931 /nfs/dbraw/zinc/03/59/31/271035931.db2.gz FRBGHTSZBMMVNM-LGNWQOKPSA-N 2 1 278.440 2.406 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)C1 ZINC000424258221 271035974 /nfs/dbraw/zinc/03/59/74/271035974.db2.gz BWAOXTOZJBUBLP-AALSBFMBSA-N 2 1 266.429 2.121 20 0 CEADMP CCC(CC)[C@@H](C[NH2+]C1CC(CC(=O)OC)C1)[NH+](C)C ZINC000424271551 271037612 /nfs/dbraw/zinc/03/76/12/271037612.db2.gz SEZZQHWISJJEJZ-PESDSKBTSA-N 2 1 284.444 2.284 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NCCC(C)(C)C)CC[NH2+]CC2 ZINC000424293675 271040724 /nfs/dbraw/zinc/04/07/24/271040724.db2.gz PLGMSVDMBZLRDG-CQSZACIVSA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@@H+](CCNC(=O)Nc1cc(C)cc(C[NH3+])c1)C1CC1 ZINC000424435638 271056202 /nfs/dbraw/zinc/05/62/02/271056202.db2.gz LKDKXNNSIFUYEL-UHFFFAOYSA-N 2 1 290.411 2.060 20 0 CEADMP CN(C)c1ncc(CN2CCC(OC(C)(C)C)CC2)n1C ZINC000425321726 271156255 /nfs/dbraw/zinc/15/62/55/271156255.db2.gz GAKCTINJIQZEMY-UHFFFAOYSA-N 2 1 294.443 2.266 20 0 CEADMP COCC(C)(C)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000426395715 271217605 /nfs/dbraw/zinc/21/76/05/271217605.db2.gz KSQSFQAPNJLRFQ-HNNXBMFYSA-N 2 1 268.445 2.467 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000430541572 271387501 /nfs/dbraw/zinc/38/75/01/271387501.db2.gz BMUWUEVAOWETEU-OAHLLOKOSA-N 2 1 295.402 2.460 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430587765 271396732 /nfs/dbraw/zinc/39/67/32/271396732.db2.gz AHMXLHBJBHEDEA-GXTWGEPZSA-N 2 1 284.407 2.497 20 0 CEADMP CC[C@@H](CCO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000131848663 273717328 /nfs/dbraw/zinc/71/73/28/273717328.db2.gz DTZKDXRHUNFAJU-KRWDZBQOSA-N 2 1 290.451 2.444 20 0 CEADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358250785 274320140 /nfs/dbraw/zinc/32/01/40/274320140.db2.gz JZFNPMXNSVWRKR-CSMYWGQOSA-N 2 1 292.398 2.105 20 0 CEADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358250785 274320143 /nfs/dbraw/zinc/32/01/43/274320143.db2.gz JZFNPMXNSVWRKR-CSMYWGQOSA-N 2 1 292.398 2.105 20 0 CEADMP O[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCc2ccccc21 ZINC000090779778 275060327 /nfs/dbraw/zinc/06/03/27/275060327.db2.gz MNKHRZAQQQQLIC-JZXOWHBKSA-N 2 1 286.419 2.037 20 0 CEADMP c1cc2c(nc[nH+]c2N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)[nH]1 ZINC000269458449 275065170 /nfs/dbraw/zinc/06/51/70/275065170.db2.gz XNRKUTSKDFJKRP-IUODEOHRSA-N 2 1 297.406 2.411 20 0 CEADMP c1cc2c(nc[nH+]c2N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[nH]1 ZINC000269458449 275065172 /nfs/dbraw/zinc/06/51/72/275065172.db2.gz XNRKUTSKDFJKRP-IUODEOHRSA-N 2 1 297.406 2.411 20 0 CEADMP C([NH2+]C1CCCCCC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252668646 275394668 /nfs/dbraw/zinc/39/46/68/275394668.db2.gz YVQCSVVPUNZWPP-LSDHHAIUSA-N 2 1 252.402 2.162 20 0 CEADMP C([NH2+]C1CCCCCC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252668646 275394669 /nfs/dbraw/zinc/39/46/69/275394669.db2.gz YVQCSVVPUNZWPP-LSDHHAIUSA-N 2 1 252.402 2.162 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000159047673 276212480 /nfs/dbraw/zinc/21/24/80/276212480.db2.gz CNOLVHBXJDSLSW-GJZGRUSLSA-N 2 1 274.408 2.484 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC2)[C@H](C)C1 ZINC000361398325 276315600 /nfs/dbraw/zinc/31/56/00/276315600.db2.gz SIHGGINULSKTQU-IKGGRYGDSA-N 2 1 298.471 2.140 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000163457505 277074395 /nfs/dbraw/zinc/07/43/95/277074395.db2.gz VVEAONBYKUTSDZ-DOMZBBRYSA-N 2 1 275.396 2.062 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+](CCO)[C@@H]1CCc2ccccc21 ZINC000271286299 277077651 /nfs/dbraw/zinc/07/76/51/277077651.db2.gz LRQCMLFRMINBHC-FUHWJXTLSA-N 2 1 288.435 2.453 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000271286299 277077652 /nfs/dbraw/zinc/07/76/52/277077652.db2.gz LRQCMLFRMINBHC-FUHWJXTLSA-N 2 1 288.435 2.453 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000271286299 277077653 /nfs/dbraw/zinc/07/76/53/277077653.db2.gz LRQCMLFRMINBHC-FUHWJXTLSA-N 2 1 288.435 2.453 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000358368752 277151429 /nfs/dbraw/zinc/15/14/29/277151429.db2.gz PKNVWQIJMYQUNT-GFCCVEGCSA-N 2 1 282.350 2.152 20 0 CEADMP COCC1(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CCC1 ZINC000361325032 277198439 /nfs/dbraw/zinc/19/84/39/277198439.db2.gz QIOAGLXNJWENGH-CQSZACIVSA-N 2 1 254.418 2.077 20 0 CEADMP COCC1(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000361325032 277198441 /nfs/dbraw/zinc/19/84/41/277198441.db2.gz QIOAGLXNJWENGH-CQSZACIVSA-N 2 1 254.418 2.077 20 0 CEADMP COCC1(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000361325032 277198442 /nfs/dbraw/zinc/19/84/42/277198442.db2.gz QIOAGLXNJWENGH-CQSZACIVSA-N 2 1 254.418 2.077 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353631575 277286659 /nfs/dbraw/zinc/28/66/59/277286659.db2.gz MBGVVZZDODHLRP-DGXTUMSLSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000358340993 277387479 /nfs/dbraw/zinc/38/74/79/277387479.db2.gz NGKXNBNOLFDMCQ-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000358340993 277387480 /nfs/dbraw/zinc/38/74/80/277387480.db2.gz NGKXNBNOLFDMCQ-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000358340993 277387482 /nfs/dbraw/zinc/38/74/82/277387482.db2.gz NGKXNBNOLFDMCQ-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000358340993 277387483 /nfs/dbraw/zinc/38/74/83/277387483.db2.gz NGKXNBNOLFDMCQ-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000090773353 277394498 /nfs/dbraw/zinc/39/44/98/277394498.db2.gz BKIDBJIAGUYXHZ-QBPKDAKJSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000090773353 277394500 /nfs/dbraw/zinc/39/45/00/277394500.db2.gz BKIDBJIAGUYXHZ-QBPKDAKJSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000090773353 277394501 /nfs/dbraw/zinc/39/45/01/277394501.db2.gz BKIDBJIAGUYXHZ-QBPKDAKJSA-N 2 1 281.488 2.425 20 0 CEADMP COC1CCC(C)(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000341387859 277476442 /nfs/dbraw/zinc/47/64/42/277476442.db2.gz ZGCLKGKZDUKSML-UHFFFAOYSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@]1(C[NH+]2CCC(C(F)(F)F)CC2)CC[NH2+]C1 ZINC000088432718 278121766 /nfs/dbraw/zinc/12/17/66/278121766.db2.gz BFNRIYZNKAXMRH-LLVKDONJSA-N 2 1 250.308 2.260 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000350454833 278167040 /nfs/dbraw/zinc/16/70/40/278167040.db2.gz FZLVXKWSUVMDFQ-PVAVHDDUSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000350454833 278167041 /nfs/dbraw/zinc/16/70/41/278167041.db2.gz FZLVXKWSUVMDFQ-PVAVHDDUSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H](CC1CCOCC1)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000350454833 278167044 /nfs/dbraw/zinc/16/70/44/278167044.db2.gz FZLVXKWSUVMDFQ-PVAVHDDUSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H](CC1CCOCC1)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000350454833 278167045 /nfs/dbraw/zinc/16/70/45/278167045.db2.gz FZLVXKWSUVMDFQ-PVAVHDDUSA-N 2 1 280.456 2.465 20 0 CEADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000373018016 278170529 /nfs/dbraw/zinc/17/05/29/278170529.db2.gz IJJLVFQKMRLZFF-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361501640 278228766 /nfs/dbraw/zinc/22/87/66/278228766.db2.gz SFEGLATZWFFIJU-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(NC(N)=O)cc1 ZINC000156330679 278273795 /nfs/dbraw/zinc/27/37/95/278273795.db2.gz DQNPARILSQPAEL-SLEUVZQESA-N 2 1 290.411 2.311 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(NC(N)=O)cc1 ZINC000156330679 278273796 /nfs/dbraw/zinc/27/37/96/278273796.db2.gz DQNPARILSQPAEL-SLEUVZQESA-N 2 1 290.411 2.311 20 0 CEADMP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[N@@H+](C)C1CC1 ZINC000268098364 278282551 /nfs/dbraw/zinc/28/25/51/278282551.db2.gz KILIBTCZJMJRBQ-NSHDSACASA-N 2 1 295.452 2.022 20 0 CEADMP C[C@H](c1ccccc1F)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122842242 278312349 /nfs/dbraw/zinc/31/23/49/278312349.db2.gz ZTCLYXGIZJHVBG-OAHLLOKOSA-N 2 1 293.430 2.456 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000159069062 278331647 /nfs/dbraw/zinc/33/16/47/278331647.db2.gz LLWIJLGGWJYWAI-GOEBONIOSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000159069062 278331650 /nfs/dbraw/zinc/33/16/50/278331650.db2.gz LLWIJLGGWJYWAI-GOEBONIOSA-N 2 1 294.439 2.278 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccncc1F ZINC000340240721 278343593 /nfs/dbraw/zinc/34/35/93/278343593.db2.gz WWQKKGQALMHLHQ-KGLIPLIRSA-N 2 1 295.402 2.108 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc2c(c1)OCO2 ZINC000332657333 278368808 /nfs/dbraw/zinc/36/88/08/278368808.db2.gz OWJKYLZUVCUVCW-RAIGVLPGSA-N 2 1 262.353 2.336 20 0 CEADMP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000343464317 288097323 /nfs/dbraw/zinc/09/73/23/288097323.db2.gz UHNAHPYUBIIYSS-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@H](O)C[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000346981715 288102507 /nfs/dbraw/zinc/10/25/07/288102507.db2.gz PHVWTHYLNZAHLM-KRWDZBQOSA-N 2 1 276.424 2.259 20 0 CEADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC000341189065 279092262 /nfs/dbraw/zinc/09/22/62/279092262.db2.gz OUEJTLHDVPGOJU-LBPRGKRZSA-N 2 1 280.416 2.493 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000352618062 279124969 /nfs/dbraw/zinc/12/49/69/279124969.db2.gz LOIMDJDNBYROCI-OAGGEKHMSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000131792262 279284809 /nfs/dbraw/zinc/28/48/09/279284809.db2.gz JMZCMVSGNFKJEV-LSDHHAIUSA-N 2 1 289.423 2.097 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000131792262 279284811 /nfs/dbraw/zinc/28/48/11/279284811.db2.gz JMZCMVSGNFKJEV-LSDHHAIUSA-N 2 1 289.423 2.097 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000357120182 279354807 /nfs/dbraw/zinc/35/48/07/279354807.db2.gz UWXSXMRSVIQMAY-ZNMIVQPWSA-N 2 1 283.460 2.094 20 0 CEADMP CC(C)[NH+](C)CCCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000357120182 279354809 /nfs/dbraw/zinc/35/48/09/279354809.db2.gz UWXSXMRSVIQMAY-ZNMIVQPWSA-N 2 1 283.460 2.094 20 0 CEADMP CC(C)[NH+](C)CCCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357120182 279354810 /nfs/dbraw/zinc/35/48/10/279354810.db2.gz UWXSXMRSVIQMAY-ZNMIVQPWSA-N 2 1 283.460 2.094 20 0 CEADMP C[C@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000280982688 279360412 /nfs/dbraw/zinc/36/04/12/279360412.db2.gz LIGPVXQADFRXNS-ODIFPOPNSA-N 2 1 276.424 2.400 20 0 CEADMP C[C@@H]1C[N@@H+](CC2=CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000336196923 288150336 /nfs/dbraw/zinc/15/03/36/288150336.db2.gz FJRKYBJXGLUXCG-AEFFLSMTSA-N 2 1 291.483 2.445 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCN2CCc3ccccc3C2)CC[N@H+]1C ZINC000121730922 280009999 /nfs/dbraw/zinc/00/99/99/280009999.db2.gz SNTOIIPWQMSJRR-MAUKXSAKSA-N 2 1 287.451 2.117 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191779423 280175276 /nfs/dbraw/zinc/17/52/76/280175276.db2.gz YZRRAKDMCZZMIO-MRXNPFEDSA-N 2 1 297.487 2.347 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCS[C@H](C)CC2)CC1 ZINC000192848795 280184059 /nfs/dbraw/zinc/18/40/59/280184059.db2.gz NNRMZTLYMWLINI-MRXNPFEDSA-N 2 1 299.528 2.230 20 0 CEADMP CCCCCNC(=O)[C@H](C)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000245422029 280239181 /nfs/dbraw/zinc/23/91/81/280239181.db2.gz IJZRBJWUJYTGMI-HOTGVXAUSA-N 2 1 297.487 2.345 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC(F)(F)F)[C@@H](C)C1 ZINC000246442899 280293950 /nfs/dbraw/zinc/29/39/50/280293950.db2.gz DQSLUKMCHQTCHH-RYUDHWBXSA-N 2 1 282.350 2.227 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC(F)(F)F)[C@@H](C)C1 ZINC000246442899 280293954 /nfs/dbraw/zinc/29/39/54/280293954.db2.gz DQSLUKMCHQTCHH-RYUDHWBXSA-N 2 1 282.350 2.227 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC(F)(F)F)[C@@H](C)C1 ZINC000246442899 280293955 /nfs/dbraw/zinc/29/39/55/280293955.db2.gz DQSLUKMCHQTCHH-RYUDHWBXSA-N 2 1 282.350 2.227 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C12CCC2 ZINC000246836719 280311316 /nfs/dbraw/zinc/31/13/16/280311316.db2.gz JUKOYODTFSLZMB-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000247028745 280318189 /nfs/dbraw/zinc/31/81/89/280318189.db2.gz VGYKFAKHERRGLH-LXTVHRRPSA-N 2 1 266.429 2.121 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000247036160 280318387 /nfs/dbraw/zinc/31/83/87/280318387.db2.gz MLBKCGZQYDVFQT-HOTGVXAUSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CCN2CCC(C)CC2)[C@@H](C)C1 ZINC000247036160 280318388 /nfs/dbraw/zinc/31/83/88/280318388.db2.gz MLBKCGZQYDVFQT-HOTGVXAUSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCN2CCC(C)CC2)[C@@H](C)C1 ZINC000247036160 280318389 /nfs/dbraw/zinc/31/83/89/280318389.db2.gz MLBKCGZQYDVFQT-HOTGVXAUSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H](C)[NH+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000247180882 280322404 /nfs/dbraw/zinc/32/24/04/280322404.db2.gz VFVSPFUHPYAQSW-NCOADZHNSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000247180882 280322405 /nfs/dbraw/zinc/32/24/05/280322405.db2.gz VFVSPFUHPYAQSW-NCOADZHNSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000247180882 280322409 /nfs/dbraw/zinc/32/24/09/280322409.db2.gz VFVSPFUHPYAQSW-NCOADZHNSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)OC[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248566227 280353014 /nfs/dbraw/zinc/35/30/14/280353014.db2.gz KUJFBSPSLFQUDO-HLLBOEOZSA-N 2 1 298.471 2.015 20 0 CEADMP [NH3+]Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000258551852 280526196 /nfs/dbraw/zinc/52/61/96/280526196.db2.gz RDNDERPZGQTWRZ-UHFFFAOYSA-N 2 1 272.352 2.181 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)C2(OC)CCCC2)CC1 ZINC000421814123 280918520 /nfs/dbraw/zinc/91/85/20/280918520.db2.gz IQCRWUBUBQNMHO-ZDUSSCGKSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422844147 280933694 /nfs/dbraw/zinc/93/36/94/280933694.db2.gz KYMZZAOYQWVBCJ-NSHDSACASA-N 2 1 288.370 2.017 20 0 CEADMP CC(C)n1cc2c(n1)C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)CC2 ZINC000422945384 280974649 /nfs/dbraw/zinc/97/46/49/280974649.db2.gz UJXUCYVCJGWQFH-AEGPPILISA-N 2 1 276.428 2.051 20 0 CEADMP C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422985465 280983584 /nfs/dbraw/zinc/98/35/84/280983584.db2.gz DYJNOXCOETZXLY-HJWJTTGWSA-N 2 1 274.408 2.494 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000423010214 280991287 /nfs/dbraw/zinc/99/12/87/280991287.db2.gz FWEDKJQAXAONRQ-DYVFJYSZSA-N 2 1 258.409 2.379 20 0 CEADMP CC[NH+](CC)CCOCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423031801 281001883 /nfs/dbraw/zinc/00/18/83/281001883.db2.gz DRUPRCYKLJKYPV-DLBZAZTESA-N 3 1 291.439 2.079 20 0 CEADMP CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423054438 281013153 /nfs/dbraw/zinc/01/31/53/281013153.db2.gz UKJKIVFOGKJPJW-XQLPTFJDSA-N 2 1 254.418 2.310 20 0 CEADMP Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423059683 281014550 /nfs/dbraw/zinc/01/45/50/281014550.db2.gz MONMZBCUTYPSFN-UKRRQHHQSA-N 2 1 285.391 2.057 20 0 CEADMP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)[C@H]1CCCCN1 ZINC000423135317 281018391 /nfs/dbraw/zinc/01/83/91/281018391.db2.gz NNESEYVLSKMNGR-JKSUJKDBSA-N 2 1 267.461 2.373 20 0 CEADMP C[NH2+][C@@H](C)C[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000423402422 281028906 /nfs/dbraw/zinc/02/89/06/281028906.db2.gz WWQPHLDPFCLELP-MNOVXSKESA-N 2 1 256.340 2.483 20 0 CEADMP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423404812 281030888 /nfs/dbraw/zinc/03/08/88/281030888.db2.gz SUMGIANJAHRWEO-OUAUKWLOSA-N 2 1 254.399 2.405 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423406491 281031657 /nfs/dbraw/zinc/03/16/57/281031657.db2.gz UTDGFTMWYVMRMK-IUCAKERBSA-N 2 1 289.192 2.456 20 0 CEADMP COC[C@@]1(C[NH2+][C@H](c2ccccc2)C2CC2)CCC[NH2+]1 ZINC000423415159 281034789 /nfs/dbraw/zinc/03/47/89/281034789.db2.gz OSTHNYHEAISRHT-SJORKVTESA-N 2 1 274.408 2.496 20 0 CEADMP CC[C@H]1CCCCC[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000157320861 281041667 /nfs/dbraw/zinc/04/16/67/281041667.db2.gz XZTFAFBIWBDPPF-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(OC(F)F)c1 ZINC000423446354 281044421 /nfs/dbraw/zinc/04/44/21/281044421.db2.gz YPHOUFYRNGKAGA-KMLBCRHOSA-N 2 1 268.307 2.156 20 0 CEADMP Fc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CC2)cc1 ZINC000423493952 281054061 /nfs/dbraw/zinc/05/40/61/281054061.db2.gz RKZOBXDYUNOPTJ-HOTGVXAUSA-N 2 1 278.371 2.245 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CN)C1CCCC1 ZINC000423496686 281056191 /nfs/dbraw/zinc/05/61/91/281056191.db2.gz FIVFWOGIEUIBCY-LRDDRELGSA-N 2 1 276.428 2.017 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CC3)[C@@H](C)C1 ZINC000424314289 281148096 /nfs/dbraw/zinc/14/80/96/281148096.db2.gz CEGWYXUINLXPEP-SOUVJXGZSA-N 2 1 266.429 2.266 20 0 CEADMP COC1(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CCOCC1 ZINC000428876994 281205540 /nfs/dbraw/zinc/20/55/40/281205540.db2.gz QYPZRJYCNMXYGV-INIZCTEOSA-N 2 1 298.471 2.284 20 0 CEADMP CC[N@H+](Cc1scnc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435389336 281387504 /nfs/dbraw/zinc/38/75/04/281387504.db2.gz KDLLUXWWLSMQAU-GFCCVEGCSA-N 2 1 253.415 2.416 20 0 CEADMP CC[N@@H+](Cc1scnc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435389336 281387508 /nfs/dbraw/zinc/38/75/08/281387508.db2.gz KDLLUXWWLSMQAU-GFCCVEGCSA-N 2 1 253.415 2.416 20 0 CEADMP CC[N@@H+](Cc1ccc(-n2cncn2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435390880 281387685 /nfs/dbraw/zinc/38/76/85/281387685.db2.gz CHKCMOYLIXPARK-INIZCTEOSA-N 2 1 299.422 2.231 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCCC1 ZINC000340519153 289060827 /nfs/dbraw/zinc/06/08/27/289060827.db2.gz TUUPEPHTBGFGRU-ZNMIVQPWSA-N 2 1 278.440 2.408 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCCC1 ZINC000340519149 289061135 /nfs/dbraw/zinc/06/11/35/289061135.db2.gz TUUPEPHTBGFGRU-KFWWJZLASA-N 2 1 278.440 2.408 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCSC)[C@H](C)C1 ZINC000154762468 289154624 /nfs/dbraw/zinc/15/46/24/289154624.db2.gz RCKRHBKPQHMRSY-ZIAGYGMSSA-N 2 1 274.474 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000357199144 289290962 /nfs/dbraw/zinc/29/09/62/289290962.db2.gz PHKDRSFLBJHFEV-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+](C)[C@@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000365400820 289296646 /nfs/dbraw/zinc/29/66/46/289296646.db2.gz BHDNMIMUNRACAP-HZPDHXFCSA-N 2 1 267.461 2.277 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000373699564 289887692 /nfs/dbraw/zinc/88/76/92/289887692.db2.gz YFKQSYQVGNOJPK-FVQBIDKESA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(NC(N)=O)cc1 ZINC000156330768 290052100 /nfs/dbraw/zinc/05/21/00/290052100.db2.gz DQNPARILSQPAEL-XUJVJEKNSA-N 2 1 290.411 2.311 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(NC(N)=O)cc1 ZINC000156330768 290052102 /nfs/dbraw/zinc/05/21/02/290052102.db2.gz DQNPARILSQPAEL-XUJVJEKNSA-N 2 1 290.411 2.311 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)[C@@H]1SC ZINC000459388584 290133834 /nfs/dbraw/zinc/13/38/34/290133834.db2.gz LXWNIWNOMRWRSL-BARDWOONSA-N 2 1 286.485 2.217 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1COc2ccccc21 ZINC000459396006 290136092 /nfs/dbraw/zinc/13/60/92/290136092.db2.gz DLBUTBXRTJWKEL-SWLSCSKDSA-N 2 1 271.364 2.117 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]1SC ZINC000459399123 290136892 /nfs/dbraw/zinc/13/68/92/290136892.db2.gz YLAAKKNDCUGLHG-UXXRCYHCSA-N 2 1 284.469 2.112 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC1CC[NH+](C2CC2)CC1 ZINC000459416125 290141156 /nfs/dbraw/zinc/14/11/56/290141156.db2.gz QATGLNDACVAUIF-MRXNPFEDSA-N 2 1 279.472 2.467 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCO1 ZINC000459442978 290150851 /nfs/dbraw/zinc/15/08/51/290150851.db2.gz ATURNEFITZMEJY-HUUCEWRRSA-N 2 1 252.402 2.160 20 0 CEADMP COCC[C@H]([NH2+]CCc1c[nH+]cn1C)C(C)(C)C ZINC000459443700 290150954 /nfs/dbraw/zinc/15/09/54/290150954.db2.gz QEHABEYIGRQCFM-ZDUSSCGKSA-N 2 1 253.390 2.003 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000459458778 290155372 /nfs/dbraw/zinc/15/53/72/290155372.db2.gz YXTMHEQDRDJGQQ-QGZVFWFLSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000459497995 290164877 /nfs/dbraw/zinc/16/48/77/290164877.db2.gz AGCZQMKHWVJAGF-INIZCTEOSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000459635416 290201611 /nfs/dbraw/zinc/20/16/11/290201611.db2.gz PZKLLYKBZCFTLF-BYNSBNAKSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000459730503 290219671 /nfs/dbraw/zinc/21/96/71/290219671.db2.gz KKBUONWYXBPCCJ-INIZCTEOSA-N 2 1 299.422 2.089 20 0 CEADMP Cn1cnc2cc(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)ccc21 ZINC000459731264 290219907 /nfs/dbraw/zinc/21/99/07/290219907.db2.gz LCNGYQFVLPEKIQ-AWEZNQCLSA-N 2 1 286.423 2.395 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000459731705 290220187 /nfs/dbraw/zinc/22/01/87/290220187.db2.gz FPOXAQMPZRVISN-ZDUSSCGKSA-N 2 1 289.414 2.037 20 0 CEADMP C[C@H](c1ccsc1)[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261770807 290276200 /nfs/dbraw/zinc/27/62/00/290276200.db2.gz MNUZVHMQNQXVPR-ZBFHGGJFSA-N 2 1 293.480 2.426 20 0 CEADMP CCC1(CC)[C@H]([NH2+]CCc2c[nH+]cn2C)[C@@H](C)[C@@H]1OC ZINC000471774332 290282979 /nfs/dbraw/zinc/28/29/79/290282979.db2.gz SIBYJZVEZTYOLF-YUELXQCFSA-N 2 1 279.428 2.392 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)[C@@H]2CC2(C)C)CC1 ZINC000486963594 290324550 /nfs/dbraw/zinc/32/45/50/290324550.db2.gz FXTNJOOFAKRSKX-HOTGVXAUSA-N 2 1 281.488 2.428 20 0 CEADMP COc1cc(C)nc(CN2CC[N@@H+](C)[C@@H](C(C)C)C2)c1 ZINC000488015642 290374138 /nfs/dbraw/zinc/37/41/38/290374138.db2.gz INJRYSUJMXWHHJ-MRXNPFEDSA-N 2 1 277.412 2.171 20 0 CEADMP COc1cc(C)nc(CN2CC[N@@H+](C)[C@H](C(C)C)C2)c1 ZINC000488015641 290374539 /nfs/dbraw/zinc/37/45/39/290374539.db2.gz INJRYSUJMXWHHJ-INIZCTEOSA-N 2 1 277.412 2.171 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCSCCOC)[C@@H](C)C1 ZINC000488109677 290379038 /nfs/dbraw/zinc/37/90/38/290379038.db2.gz BUBJDBZKGNBWKP-LSDHHAIUSA-N 2 1 288.501 2.418 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCSCCOC)[C@@H](C)C1 ZINC000488109677 290379039 /nfs/dbraw/zinc/37/90/39/290379039.db2.gz BUBJDBZKGNBWKP-LSDHHAIUSA-N 2 1 288.501 2.418 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCSCCOC)[C@@H](C)C1 ZINC000488109677 290379040 /nfs/dbraw/zinc/37/90/40/290379040.db2.gz BUBJDBZKGNBWKP-LSDHHAIUSA-N 2 1 288.501 2.418 20 0 CEADMP CC(C)[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000488197486 290383193 /nfs/dbraw/zinc/38/31/93/290383193.db2.gz HBLQEPLKFBUNQN-CVEARBPZSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[C@@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000488197486 290383197 /nfs/dbraw/zinc/38/31/97/290383197.db2.gz HBLQEPLKFBUNQN-CVEARBPZSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[C@@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000488197486 290383203 /nfs/dbraw/zinc/38/32/03/290383203.db2.gz HBLQEPLKFBUNQN-CVEARBPZSA-N 2 1 267.461 2.133 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000248398436 290386381 /nfs/dbraw/zinc/38/63/81/290386381.db2.gz JARFWKPPUXFEAN-DOTOQJQBSA-N 2 1 295.471 2.289 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000488418159 290397135 /nfs/dbraw/zinc/39/71/35/290397135.db2.gz MYMOSFNHMPCEQM-CHWSQXEVSA-N 2 1 253.415 2.311 20 0 CEADMP C[C@@H]1C[C@H]1C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000488543041 290408536 /nfs/dbraw/zinc/40/85/36/290408536.db2.gz JGUSNFBGUAOINM-CABCVRRESA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCC2)c2ccccc21 ZINC000123738806 295342974 /nfs/dbraw/zinc/34/29/74/295342974.db2.gz WYNGHSNTOBLCEM-JKSUJKDBSA-N 2 1 287.407 2.123 20 0 CEADMP COc1ccccc1CC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178972387 295359050 /nfs/dbraw/zinc/35/90/50/295359050.db2.gz FNIXTUIPRGGVDZ-UHFFFAOYSA-N 2 1 262.397 2.169 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](CCO)C2CCCCC2)CC[NH2+]1 ZINC000414667677 297395671 /nfs/dbraw/zinc/39/56/71/297395671.db2.gz HYYRLBQRBMIAML-ZIAGYGMSSA-N 2 1 254.418 2.002 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528660219 297848159 /nfs/dbraw/zinc/84/81/59/297848159.db2.gz QMOYEZONJHRVSJ-INIZCTEOSA-N 2 1 270.380 2.489 20 0 CEADMP CC(C)(C)c1ncc2c(n1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000530208421 298049641 /nfs/dbraw/zinc/04/96/41/298049641.db2.gz SYMSGZVDVWQWHG-UHFFFAOYSA-N 2 1 288.439 2.132 20 0 CEADMP Cc1ncccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000530220207 298054973 /nfs/dbraw/zinc/05/49/73/298054973.db2.gz MGOIKLXHYIBJKW-GUYCJALGSA-N 2 1 269.392 2.438 20 0 CEADMP CC1(C)CC(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000530222469 298056098 /nfs/dbraw/zinc/05/60/98/298056098.db2.gz NVPHRNQURZRRRR-AWEZNQCLSA-N 2 1 266.429 2.110 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+]CCc2c[nH+]cn2C)CC1 ZINC000530412693 298069371 /nfs/dbraw/zinc/06/93/71/298069371.db2.gz JNYQPWWXPGVEIW-UHFFFAOYSA-N 2 1 293.411 2.064 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1C ZINC000531965602 298126759 /nfs/dbraw/zinc/12/67/59/298126759.db2.gz DJEYXVGQBUUKRC-HWWQOWPSSA-N 2 1 278.444 2.338 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1C ZINC000531965602 298126760 /nfs/dbraw/zinc/12/67/60/298126760.db2.gz DJEYXVGQBUUKRC-HWWQOWPSSA-N 2 1 278.444 2.338 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC000532227402 298136466 /nfs/dbraw/zinc/13/64/66/298136466.db2.gz NCFJKXLSPJVOPT-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP CCOc1cc(C[NH2+]CCC[NH+]2CCC2)ccc1OC ZINC000535760026 298189166 /nfs/dbraw/zinc/18/91/66/298189166.db2.gz DDRSHOINGOLXPM-UHFFFAOYSA-N 2 1 278.396 2.279 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000547277138 298359886 /nfs/dbraw/zinc/35/98/86/298359886.db2.gz UCXXIDGKWHHMKX-SJORKVTESA-N 2 1 274.408 2.184 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](CC2CC2)c2ccccc2)C1 ZINC000547277138 298359888 /nfs/dbraw/zinc/35/98/88/298359888.db2.gz UCXXIDGKWHHMKX-SJORKVTESA-N 2 1 274.408 2.184 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347007377 298362921 /nfs/dbraw/zinc/36/29/21/298362921.db2.gz QFVLOYLUQQENBE-IIAWOOMASA-N 2 1 268.445 2.498 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC23CCOCC3)CCCC1 ZINC000558623755 298595208 /nfs/dbraw/zinc/59/52/08/298595208.db2.gz KSQYWOMHTLZCMC-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP COc1cc2c(cc1C[NH2+]C[C@H]1CCC[NH2+]C1)O[C@H](C)C2 ZINC000563422142 298776342 /nfs/dbraw/zinc/77/63/42/298776342.db2.gz VAFQTPJRSMYYLL-OLZOCXBDSA-N 2 1 290.407 2.108 20 0 CEADMP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1nccn1C ZINC000566245135 298957759 /nfs/dbraw/zinc/95/77/59/298957759.db2.gz DLUAYWOGEGCADL-AWEZNQCLSA-N 2 1 258.369 2.120 20 0 CEADMP C(C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000566559072 299003234 /nfs/dbraw/zinc/00/32/34/299003234.db2.gz SQWQZNCQCFCMAA-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)C1CCCCC1 ZINC000414832066 303393223 /nfs/dbraw/zinc/39/32/23/303393223.db2.gz DEHXOHJBEIRFSF-PESDSKBTSA-N 3 1 253.434 2.001 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]CC2CCCCCC2)CC1 ZINC000515389652 313069329 /nfs/dbraw/zinc/06/93/29/313069329.db2.gz YTPCGGHRYCIDNE-UHFFFAOYSA-N 2 1 268.445 2.393 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnc(C2CC2)s1)C[NH+](C)C ZINC000515739908 313075829 /nfs/dbraw/zinc/07/58/29/313075829.db2.gz KMESYTCHSUALBJ-JTQLQIEISA-N 2 1 253.415 2.308 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000516412029 313088443 /nfs/dbraw/zinc/08/84/43/313088443.db2.gz ULYROWIIIBCQNS-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc(N2CCOCC2)c1 ZINC000516450799 313089451 /nfs/dbraw/zinc/08/94/51/313089451.db2.gz LFSBPVLUGXGSJF-AWEZNQCLSA-N 2 1 289.423 2.055 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000518459788 313114859 /nfs/dbraw/zinc/11/48/59/313114859.db2.gz DPQKIFQZJRIPPY-INIZCTEOSA-N 2 1 299.422 2.216 20 0 CEADMP C[N@@H+](C[C@H](O)CNCc1ccc(C(C)(F)F)cc1)C1CC1 ZINC000521613108 313129679 /nfs/dbraw/zinc/12/96/79/313129679.db2.gz RRVNPRSGPLRMMZ-OAHLLOKOSA-N 2 1 298.377 2.343 20 0 CEADMP CN(C[C@H](O)C[NH2+]Cc1ccc(C(C)(F)F)cc1)C1CC1 ZINC000521613108 313129682 /nfs/dbraw/zinc/12/96/82/313129682.db2.gz RRVNPRSGPLRMMZ-OAHLLOKOSA-N 2 1 298.377 2.343 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000521998022 313137703 /nfs/dbraw/zinc/13/77/03/313137703.db2.gz DDYMYLZIXKAHQW-HNNXBMFYSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCOC[C@H]1C1CCC1 ZINC000521998022 313137705 /nfs/dbraw/zinc/13/77/05/313137705.db2.gz DDYMYLZIXKAHQW-HNNXBMFYSA-N 2 1 263.385 2.083 20 0 CEADMP COc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)OC)c1 ZINC000527918775 313214646 /nfs/dbraw/zinc/21/46/46/313214646.db2.gz HLLFUGRWISNLKJ-COXVUDFISA-N 2 1 292.423 2.313 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CCOCC1 ZINC000532473445 313349371 /nfs/dbraw/zinc/34/93/71/313349371.db2.gz OSDPTXSOSKQAIY-HUUCEWRRSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000569093396 313984498 /nfs/dbraw/zinc/98/44/98/313984498.db2.gz PDKMCCVRNJGSCU-LSDHHAIUSA-N 3 1 267.461 2.086 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CCCC[NH+](C)C ZINC000570017208 314021634 /nfs/dbraw/zinc/02/16/34/314021634.db2.gz FWHQYHPJSSRBQY-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NC4C[NH2+]C4)[C@H]3C2)cc1 ZINC000570035735 314024109 /nfs/dbraw/zinc/02/41/09/314024109.db2.gz OTGZGYCGFNBCAX-YTQUADARSA-N 2 1 299.462 2.239 20 0 CEADMP Fc1ccc2cc(C[NH2+]CCC[NH+]3CCC3)[nH]c2c1 ZINC000570175666 314029906 /nfs/dbraw/zinc/02/99/06/314029906.db2.gz KRELRBFHQHUQGO-UHFFFAOYSA-N 2 1 261.344 2.492 20 0 CEADMP COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000573005198 314135873 /nfs/dbraw/zinc/13/58/73/314135873.db2.gz GSAWEYOXYMFVCQ-GFCCVEGCSA-N 2 1 252.333 2.066 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)c2nccn21 ZINC000575124074 314207484 /nfs/dbraw/zinc/20/74/84/314207484.db2.gz MYNIDBMRNIQKQG-BXUZGUMPSA-N 2 1 256.353 2.137 20 0 CEADMP COc1ccccc1/C=C\C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000576107398 314242195 /nfs/dbraw/zinc/24/21/95/314242195.db2.gz MPONBLFWJITAJR-BMWLXYDHSA-N 2 1 260.381 2.379 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000576107398 314242198 /nfs/dbraw/zinc/24/21/98/314242198.db2.gz MPONBLFWJITAJR-BMWLXYDHSA-N 2 1 260.381 2.379 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000576114109 314243461 /nfs/dbraw/zinc/24/34/61/314243461.db2.gz LOGHNGPVIIEHFX-IRXDYDNUSA-N 2 1 276.424 2.227 20 0 CEADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000576576565 314289296 /nfs/dbraw/zinc/28/92/96/314289296.db2.gz GWKXLWPQEMXTND-DOTOQJQBSA-N 2 1 276.424 2.052 20 0 CEADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000576576565 314289298 /nfs/dbraw/zinc/28/92/98/314289298.db2.gz GWKXLWPQEMXTND-DOTOQJQBSA-N 2 1 276.424 2.052 20 0 CEADMP COCC[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCC[C@@H]1C ZINC000576594172 314291861 /nfs/dbraw/zinc/29/18/61/314291861.db2.gz MEBZEOJUKAGRPM-HOCLYGCPSA-N 2 1 279.428 2.490 20 0 CEADMP COCC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCC[C@@H]1C ZINC000576594172 314291871 /nfs/dbraw/zinc/29/18/71/314291871.db2.gz MEBZEOJUKAGRPM-HOCLYGCPSA-N 2 1 279.428 2.490 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](Cc2ccccc2)C1 ZINC000576716453 314304631 /nfs/dbraw/zinc/30/46/31/314304631.db2.gz YLMHSCGSARAQFZ-MSOLQXFVSA-N 2 1 290.451 2.254 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000576716456 314304815 /nfs/dbraw/zinc/30/48/15/314304815.db2.gz YLMHSCGSARAQFZ-ZWKOTPCHSA-N 2 1 290.451 2.254 20 0 CEADMP NC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)C1CCCCC1 ZINC000577641409 314399050 /nfs/dbraw/zinc/39/90/50/314399050.db2.gz HZUPMZPJRCEGRK-SFHVURJKSA-N 2 1 287.451 2.330 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCC1)C1CCOCC1 ZINC000187747026 321762535 /nfs/dbraw/zinc/76/25/35/321762535.db2.gz OKGUULWOMRNENH-SJORKVTESA-N 2 1 298.471 2.138 20 0 CEADMP COc1ccc(C[NH2+]CCn2cc[nH+]c2C)c(F)c1 ZINC000389147576 321889026 /nfs/dbraw/zinc/88/90/26/321889026.db2.gz UXCREEYDKKDIHQ-UHFFFAOYSA-N 2 1 263.316 2.129 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389938887 321892755 /nfs/dbraw/zinc/89/27/55/321892755.db2.gz OVFBFZGNCPRMMM-NVXWUHKLSA-N 2 1 284.407 2.148 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1-c1ccccc1 ZINC000580417300 322316185 /nfs/dbraw/zinc/31/61/85/322316185.db2.gz MGQNDFPFDGGURI-GOEBONIOSA-N 2 1 284.407 2.479 20 0 CEADMP Cc1cnc(C)nc1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000580465424 322320079 /nfs/dbraw/zinc/32/00/79/322320079.db2.gz ILDHRTWVXKOYOP-ZDUSSCGKSA-N 2 1 262.401 2.048 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000580506698 322321355 /nfs/dbraw/zinc/32/13/55/322321355.db2.gz VBKPKUXNTNZBEI-SWLSCSKDSA-N 2 1 272.396 2.003 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000580524797 322323503 /nfs/dbraw/zinc/32/35/03/322323503.db2.gz OFHVYRXYGVVIGX-AWEZNQCLSA-N 2 1 273.424 2.392 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000580524797 322323505 /nfs/dbraw/zinc/32/35/05/322323505.db2.gz OFHVYRXYGVVIGX-AWEZNQCLSA-N 2 1 273.424 2.392 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000580899806 322352937 /nfs/dbraw/zinc/35/29/37/322352937.db2.gz BTTGPGDRZBSFJA-WCQYABFASA-N 2 1 293.386 2.274 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000580898082 322353091 /nfs/dbraw/zinc/35/30/91/322353091.db2.gz VJDNMFNRHBUCQI-PVAVHDDUSA-N 2 1 276.424 2.082 20 0 CEADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000580962018 322358650 /nfs/dbraw/zinc/35/86/50/322358650.db2.gz KJWZVQNIQGNTGL-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000581318453 322386766 /nfs/dbraw/zinc/38/67/66/322386766.db2.gz TUASTGFKRAJVAQ-RRFJBIMHSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000581318453 322386769 /nfs/dbraw/zinc/38/67/69/322386769.db2.gz TUASTGFKRAJVAQ-RRFJBIMHSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000581318453 322386772 /nfs/dbraw/zinc/38/67/72/322386772.db2.gz TUASTGFKRAJVAQ-RRFJBIMHSA-N 2 1 256.434 2.200 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OC(F)(F)O3)C1 ZINC000581357137 322389381 /nfs/dbraw/zinc/38/93/81/322389381.db2.gz BWVULZNFXHUBAL-LLVKDONJSA-N 2 1 298.333 2.440 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OC(F)(F)O3)C1 ZINC000581357137 322389384 /nfs/dbraw/zinc/38/93/84/322389384.db2.gz BWVULZNFXHUBAL-LLVKDONJSA-N 2 1 298.333 2.440 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000581436821 322396306 /nfs/dbraw/zinc/39/63/06/322396306.db2.gz BKSNUNWGXNRCFH-ZDUSSCGKSA-N 2 1 256.434 2.057 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]C2CCC(C)(C)CC2)CC1 ZINC000583763470 322566955 /nfs/dbraw/zinc/56/69/55/322566955.db2.gz ZPPVSMQUPRWMBJ-UHFFFAOYSA-N 2 1 268.445 2.392 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)[C@@H](C)C1 ZINC000560910411 327351807 /nfs/dbraw/zinc/35/18/07/327351807.db2.gz RXCBXJHRZWRNEO-LUKYLMHMSA-N 2 1 298.471 2.017 20 0 CEADMP COC(=O)C[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000560936619 327353267 /nfs/dbraw/zinc/35/32/67/327353267.db2.gz WWPSMWIXNWHBMP-ZBFHGGJFSA-N 2 1 290.407 2.050 20 0 CEADMP COC(=O)C[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000560936619 327353268 /nfs/dbraw/zinc/35/32/68/327353268.db2.gz WWPSMWIXNWHBMP-ZBFHGGJFSA-N 2 1 290.407 2.050 20 0 CEADMP C[C@H]([NH2+]Cc1nc2ccccc2n1C)[C@@H]1CCC[NH2+]C1 ZINC000414846915 533945203 /nfs/dbraw/zinc/94/52/03/533945203.db2.gz FLPYPRYFUIUEKA-QWHCGFSZSA-N 2 1 272.396 2.051 20 0 CEADMP CSc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)ccn1 ZINC000357841340 534167720 /nfs/dbraw/zinc/16/77/20/534167720.db2.gz PJKPJGJPTDRITB-WCQYABFASA-N 2 1 265.426 2.233 20 0 CEADMP CSc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)ccn1 ZINC000357841340 534167723 /nfs/dbraw/zinc/16/77/23/534167723.db2.gz PJKPJGJPTDRITB-WCQYABFASA-N 2 1 265.426 2.233 20 0 CEADMP CC(C)(C)OC1CC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000156466901 518862931 /nfs/dbraw/zinc/86/29/31/518862931.db2.gz SHEHBHFESNULEC-PCKAHOCUSA-N 2 1 298.471 2.159 20 0 CEADMP CC(C)CCOCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157345780 519666334 /nfs/dbraw/zinc/66/63/34/519666334.db2.gz SUCCXLTYDKLBAW-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CC(C)CCOCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157345780 519666338 /nfs/dbraw/zinc/66/63/38/519666338.db2.gz SUCCXLTYDKLBAW-INIZCTEOSA-N 2 1 268.445 2.467 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000367881837 520607568 /nfs/dbraw/zinc/60/75/68/520607568.db2.gz VPWBFZHUYKLXSL-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000367881837 520607573 /nfs/dbraw/zinc/60/75/73/520607573.db2.gz VPWBFZHUYKLXSL-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000367881837 520607579 /nfs/dbraw/zinc/60/75/79/520607579.db2.gz VPWBFZHUYKLXSL-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000367881837 520607588 /nfs/dbraw/zinc/60/75/88/520607588.db2.gz VPWBFZHUYKLXSL-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP CCCCNC(=O)C[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000052208852 520616200 /nfs/dbraw/zinc/61/62/00/520616200.db2.gz ATVAOQZCFGUSGP-UHFFFAOYSA-N 2 1 297.487 2.347 20 0 CEADMP CCCCOC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157344456 520705924 /nfs/dbraw/zinc/70/59/24/520705924.db2.gz MTHFZCXJVXSELS-HNNXBMFYSA-N 2 1 282.428 2.138 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157344456 520705928 /nfs/dbraw/zinc/70/59/28/520705928.db2.gz MTHFZCXJVXSELS-HNNXBMFYSA-N 2 1 282.428 2.138 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)OC)[C@H](C)C1 ZINC000358199559 521706978 /nfs/dbraw/zinc/70/69/78/521706978.db2.gz HXZFSHWUXLXCGR-HUUCEWRRSA-N 2 1 286.460 2.138 20 0 CEADMP CO[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000161596021 523596110 /nfs/dbraw/zinc/59/61/10/523596110.db2.gz HQLZBOCQQAYXJH-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CO[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000161596021 523596118 /nfs/dbraw/zinc/59/61/18/523596118.db2.gz HQLZBOCQQAYXJH-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP COCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000069509412 523825963 /nfs/dbraw/zinc/82/59/63/523825963.db2.gz HTWGTQFUFDJMER-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP COCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000069509412 523825968 /nfs/dbraw/zinc/82/59/68/523825968.db2.gz HTWGTQFUFDJMER-HNNXBMFYSA-N 2 1 254.418 2.221 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccccc1F ZINC000358055578 524897125 /nfs/dbraw/zinc/89/71/25/524897125.db2.gz BXPAQALGZFIWML-OCCSQVGLSA-N 2 1 266.360 2.134 20 0 CEADMP Cc1cnn(C2CC[NH+](CCCn3cc[nH+]c3C)CC2)c1 ZINC000363460212 526254357 /nfs/dbraw/zinc/25/43/57/526254357.db2.gz YHSZOIOOBKCWEN-UHFFFAOYSA-N 2 1 287.411 2.424 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000365189574 527399398 /nfs/dbraw/zinc/39/93/98/527399398.db2.gz CWSIPDVASZKZQI-UHFFFAOYSA-N 2 1 286.379 2.131 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000365189574 527399401 /nfs/dbraw/zinc/39/94/01/527399401.db2.gz CWSIPDVASZKZQI-UHFFFAOYSA-N 2 1 286.379 2.131 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150786156 527669029 /nfs/dbraw/zinc/66/90/29/527669029.db2.gz USVCJKSPEQFIRU-ZDUSSCGKSA-N 2 1 294.361 2.373 20 0 CEADMP CC[N@H+]1CC[C@H](NCCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000178409804 527880535 /nfs/dbraw/zinc/88/05/35/527880535.db2.gz XLKYGTVTIBYLSR-CVEARBPZSA-N 2 1 267.461 2.182 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000178409804 527880539 /nfs/dbraw/zinc/88/05/39/527880539.db2.gz XLKYGTVTIBYLSR-CVEARBPZSA-N 3 1 267.461 2.182 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000178409804 527880544 /nfs/dbraw/zinc/88/05/44/527880544.db2.gz XLKYGTVTIBYLSR-CVEARBPZSA-N 3 1 267.461 2.182 20 0 CEADMP CCCNC(=O)CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000411169737 528357392 /nfs/dbraw/zinc/35/73/92/528357392.db2.gz DXJNSJZHGZWVNQ-UHFFFAOYSA-N 2 1 295.471 2.243 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357108416 528436276 /nfs/dbraw/zinc/43/62/76/528436276.db2.gz ULRHSVCVBFHLOI-CABCVRRESA-N 2 1 290.407 2.135 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357108416 528436277 /nfs/dbraw/zinc/43/62/77/528436277.db2.gz ULRHSVCVBFHLOI-CABCVRRESA-N 2 1 290.407 2.135 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000357058934 528991363 /nfs/dbraw/zinc/99/13/63/528991363.db2.gz MCNCKEKIAIHACM-MRXNPFEDSA-N 2 1 297.487 2.438 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000356096100 529001397 /nfs/dbraw/zinc/00/13/97/529001397.db2.gz RNENGUGLEPJODF-UONOGXRCSA-N 2 1 283.460 2.144 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000227463628 538844956 /nfs/dbraw/zinc/84/49/56/538844956.db2.gz IOKHERFWQLSDHT-UHFFFAOYSA-N 2 1 262.397 2.141 20 0 CEADMP C[C@@H](CO)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000120832122 538867656 /nfs/dbraw/zinc/86/76/56/538867656.db2.gz UGWYATSGZAILSQ-HZPDHXFCSA-N 2 1 268.445 2.203 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[C@H](C)C1 ZINC000483145137 538879803 /nfs/dbraw/zinc/87/98/03/538879803.db2.gz ODNOQZXLDFVVIG-HHARLNAUSA-N 2 1 296.455 2.033 20 0 CEADMP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000751502839 574469908 /nfs/dbraw/zinc/46/99/08/574469908.db2.gz IORZEWHRVNZJTG-CHWSQXEVSA-N 2 1 265.788 2.451 20 0 CEADMP Clc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000751502839 574469909 /nfs/dbraw/zinc/46/99/09/574469909.db2.gz IORZEWHRVNZJTG-CHWSQXEVSA-N 2 1 265.788 2.451 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000738521497 574470994 /nfs/dbraw/zinc/47/09/94/574470994.db2.gz NYWRWMRIBNWNDN-UHFFFAOYSA-N 2 1 291.439 2.047 20 0 CEADMP CCC/C=C\C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000729357781 574486112 /nfs/dbraw/zinc/48/61/12/574486112.db2.gz QCGPYMOYDFWCNK-JXMNSVBMSA-N 2 1 295.471 2.217 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccnc(N(C)C)c2)CCN1C ZINC000754048891 574521622 /nfs/dbraw/zinc/52/16/22/574521622.db2.gz GSCQEQDBWGZIIO-ZFWWWQNUSA-N 2 1 276.428 2.062 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000732272683 574616997 /nfs/dbraw/zinc/61/69/97/574616997.db2.gz MKKFWEDBTZIDJB-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000732272683 574616998 /nfs/dbraw/zinc/61/69/98/574616998.db2.gz MKKFWEDBTZIDJB-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000732272683 574617000 /nfs/dbraw/zinc/61/70/00/574617000.db2.gz MKKFWEDBTZIDJB-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000749071401 575204647 /nfs/dbraw/zinc/20/46/47/575204647.db2.gz XKMWRMHHVNNUJL-MRXNPFEDSA-N 2 1 268.445 2.486 20 0 CEADMP CC(C)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000749071401 575204649 /nfs/dbraw/zinc/20/46/49/575204649.db2.gz XKMWRMHHVNNUJL-MRXNPFEDSA-N 2 1 268.445 2.486 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H](Nc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000749279429 575212445 /nfs/dbraw/zinc/21/24/45/575212445.db2.gz GCTDYQLSSVNFGB-ZIAGYGMSSA-N 2 1 289.427 2.362 20 0 CEADMP CC(C)[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000963902536 613943169 /nfs/dbraw/zinc/94/31/69/613943169.db2.gz LGGJZZHHYXEHRP-FHERZECASA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[N@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000981324424 614029542 /nfs/dbraw/zinc/02/95/42/614029542.db2.gz LICMNZDCVQOJBW-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000972479178 614275927 /nfs/dbraw/zinc/27/59/27/614275927.db2.gz SKFFPSZZWCGPPZ-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000960956437 614853565 /nfs/dbraw/zinc/85/35/65/614853565.db2.gz BVKNQJOEQDTBRU-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC000961030780 614871948 /nfs/dbraw/zinc/87/19/48/614871948.db2.gz FTRGQAWXRDPVIJ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000964436483 615076587 /nfs/dbraw/zinc/07/65/87/615076587.db2.gz IBTGMUXTHGSKBJ-UYSNPLJNSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C(C)C ZINC000961032877 615113637 /nfs/dbraw/zinc/11/36/37/615113637.db2.gz UVZCWEWXRUCEJD-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)C(C)C ZINC000961032877 615113639 /nfs/dbraw/zinc/11/36/39/615113639.db2.gz UVZCWEWXRUCEJD-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)C(C)C ZINC000961032877 615113641 /nfs/dbraw/zinc/11/36/41/615113641.db2.gz UVZCWEWXRUCEJD-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966080755 615198586 /nfs/dbraw/zinc/19/85/86/615198586.db2.gz YPYLYGMMJJDORC-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(C[NH2+]CCC[NH+]2CCCCC2)cnc1F ZINC000892462296 625528114 /nfs/dbraw/zinc/52/81/14/625528114.db2.gz ODRGWGUPGAZJGF-UHFFFAOYSA-N 2 1 265.376 2.495 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCCCCO)C1 ZINC000175777791 622873639 /nfs/dbraw/zinc/87/36/39/622873639.db2.gz NFRDPIDQSQLFFK-OAHLLOKOSA-N 2 1 256.434 2.203 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCCCCO)C1 ZINC000175777791 622873641 /nfs/dbraw/zinc/87/36/41/622873641.db2.gz NFRDPIDQSQLFFK-OAHLLOKOSA-N 2 1 256.434 2.203 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCCCCO)C1 ZINC000175777791 622873645 /nfs/dbraw/zinc/87/36/45/622873645.db2.gz NFRDPIDQSQLFFK-OAHLLOKOSA-N 2 1 256.434 2.203 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174027 623117750 /nfs/dbraw/zinc/11/77/50/623117750.db2.gz UVOAELIOYGKJSX-CABCVRRESA-N 2 1 262.397 2.433 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000050245379 623373335 /nfs/dbraw/zinc/37/33/35/623373335.db2.gz TVUPGIVDGJLUEX-SNVBAGLBSA-N 2 1 256.296 2.069 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000050245379 623373344 /nfs/dbraw/zinc/37/33/44/623373344.db2.gz TVUPGIVDGJLUEX-SNVBAGLBSA-N 2 1 256.296 2.069 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](CCCCC(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000933737540 623986790 /nfs/dbraw/zinc/98/67/90/623986790.db2.gz QOCQWZZVBCUERZ-PBHICJAKSA-N 2 1 296.455 2.382 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCCCC(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000933737540 623986793 /nfs/dbraw/zinc/98/67/93/623986793.db2.gz QOCQWZZVBCUERZ-PBHICJAKSA-N 2 1 296.455 2.382 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCCCC(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000933737540 623986795 /nfs/dbraw/zinc/98/67/95/623986795.db2.gz QOCQWZZVBCUERZ-PBHICJAKSA-N 2 1 296.455 2.382 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn4ccnc4s3)CC[C@H]21 ZINC000892231146 624440126 /nfs/dbraw/zinc/44/01/26/624440126.db2.gz VVUCDGALWFOTDI-GXTWGEPZSA-N 2 1 290.436 2.312 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn4ccnc4s3)CC[C@H]21 ZINC000892231146 624440127 /nfs/dbraw/zinc/44/01/27/624440127.db2.gz VVUCDGALWFOTDI-GXTWGEPZSA-N 2 1 290.436 2.312 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn4ccnc4s3)CC[C@H]21 ZINC000892231146 624440128 /nfs/dbraw/zinc/44/01/28/624440128.db2.gz VVUCDGALWFOTDI-GXTWGEPZSA-N 2 1 290.436 2.312 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn4ccnc4s3)CC[C@H]21 ZINC000892231146 624440129 /nfs/dbraw/zinc/44/01/29/624440129.db2.gz VVUCDGALWFOTDI-GXTWGEPZSA-N 2 1 290.436 2.312 20 0 CEADMP Cc1cc(F)cc2c1C[N@H+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000262107565 624559128 /nfs/dbraw/zinc/55/91/28/624559128.db2.gz WCMRIDLWJJOORN-MRXNPFEDSA-N 2 1 262.372 2.492 20 0 CEADMP Cc1cc(F)cc2c1C[N@@H+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000262107565 624559130 /nfs/dbraw/zinc/55/91/30/624559130.db2.gz WCMRIDLWJJOORN-MRXNPFEDSA-N 2 1 262.372 2.492 20 0 CEADMP CSC1(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)CCCCC1 ZINC000235069702 624577256 /nfs/dbraw/zinc/57/72/56/624577256.db2.gz FXEOQJWFFBAGHZ-KBPBESRZSA-N 2 1 286.485 2.409 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934771009 624759102 /nfs/dbraw/zinc/75/91/02/624759102.db2.gz PAOGMXWERAJWMZ-KGLIPLIRSA-N 2 1 265.426 2.267 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934771009 624759109 /nfs/dbraw/zinc/75/91/09/624759109.db2.gz PAOGMXWERAJWMZ-KGLIPLIRSA-N 2 1 265.426 2.267 20 0 CEADMP CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023761992 625201987 /nfs/dbraw/zinc/20/19/87/625201987.db2.gz OOHAEPKWONRQDB-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001023761992 625201989 /nfs/dbraw/zinc/20/19/89/625201989.db2.gz OOHAEPKWONRQDB-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023761992 625201994 /nfs/dbraw/zinc/20/19/94/625201994.db2.gz OOHAEPKWONRQDB-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000235735193 625725657 /nfs/dbraw/zinc/72/56/57/625725657.db2.gz ODYSMCBLYYKTQP-MRXNPFEDSA-N 2 1 255.365 2.406 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000926701393 625774876 /nfs/dbraw/zinc/77/48/76/625774876.db2.gz HZKHOECLUUPJRA-MNTYIPCHSA-N 2 1 291.483 2.323 20 0 CEADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926701393 625774882 /nfs/dbraw/zinc/77/48/82/625774882.db2.gz HZKHOECLUUPJRA-MNTYIPCHSA-N 2 1 291.483 2.323 20 0 CEADMP C[NH+]1C[C@H]2CC[C@@H](C1)C2N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926701393 625774893 /nfs/dbraw/zinc/77/48/93/625774893.db2.gz HZKHOECLUUPJRA-MNTYIPCHSA-N 2 1 291.483 2.323 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]C(C)C ZINC001024979379 625936203 /nfs/dbraw/zinc/93/62/03/625936203.db2.gz QEDGZRNEESTNBQ-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001025008752 625947096 /nfs/dbraw/zinc/94/70/96/625947096.db2.gz AMXVGDDFKPKDND-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2CCCO)CC1 ZINC000820805772 634532639 /nfs/dbraw/zinc/53/26/39/634532639.db2.gz RGYHIMJUVPBWIK-UKRRQHHQSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H]1COC[C@H](C)C1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000924576781 627292270 /nfs/dbraw/zinc/29/22/70/627292270.db2.gz BCCOOMOOHPXYAD-STQMWFEESA-N 2 1 254.418 2.121 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nnc(C2CC2)s1 ZINC000892621827 627318614 /nfs/dbraw/zinc/31/86/14/627318614.db2.gz GIONSRJUHKUJKK-UHFFFAOYSA-N 2 1 277.397 2.100 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(F)c(C)c2)C1 ZINC000892668235 627376182 /nfs/dbraw/zinc/37/61/82/627376182.db2.gz JMUUOJWXPKDAIS-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(F)c(C)c2)C1 ZINC000892668235 627376185 /nfs/dbraw/zinc/37/61/85/627376185.db2.gz JMUUOJWXPKDAIS-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(F)cc2C)C1 ZINC000892668516 627377027 /nfs/dbraw/zinc/37/70/27/627377027.db2.gz NODAAWZJXNSNCS-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(F)cc2C)C1 ZINC000892668516 627377030 /nfs/dbraw/zinc/37/70/30/627377030.db2.gz NODAAWZJXNSNCS-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000892669571 627379668 /nfs/dbraw/zinc/37/96/68/627379668.db2.gz URJSYTTZFQVZBU-OZSLIKBDSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892669571 627379673 /nfs/dbraw/zinc/37/96/73/627379673.db2.gz URJSYTTZFQVZBU-OZSLIKBDSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892669571 627379674 /nfs/dbraw/zinc/37/96/74/627379674.db2.gz URJSYTTZFQVZBU-OZSLIKBDSA-N 2 1 279.472 2.322 20 0 CEADMP Cc1[nH+]ccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1Br ZINC000892673075 627387825 /nfs/dbraw/zinc/38/78/25/627387825.db2.gz FPQDAFGIXMRDSI-MWLCHTKSSA-N 2 1 298.228 2.469 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]CC1CC[NH+](C)CC1 ZINC000892675022 627392823 /nfs/dbraw/zinc/39/28/23/627392823.db2.gz NFUIVOIZYYTZHA-XHSDSOJGSA-N 3 1 281.488 2.284 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]CC1CC[NH+](C)CC1 ZINC000892675022 627392825 /nfs/dbraw/zinc/39/28/25/627392825.db2.gz NFUIVOIZYYTZHA-XHSDSOJGSA-N 3 1 281.488 2.284 20 0 CEADMP CN(C)C1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCCC1 ZINC000902333116 634593470 /nfs/dbraw/zinc/59/34/70/634593470.db2.gz JPCMLYXHECRGFF-CQSZACIVSA-N 2 1 267.461 2.229 20 0 CEADMP CN1CCC[C@@H]2C[N@@H+](CCC(=O)C(C)(C)C)CC[C@H]21 ZINC000167646200 627666970 /nfs/dbraw/zinc/66/69/70/627666970.db2.gz JPLNWLSJIMQJEW-ZIAGYGMSSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](CO)c2ccsc2)C1 ZINC000902374953 634605725 /nfs/dbraw/zinc/60/57/25/634605725.db2.gz SOQVMNDFOIKGSU-OLZOCXBDSA-N 2 1 268.426 2.149 20 0 CEADMP CN(CCC[N@@H+](C)Cc1ccccc1CF)CC[NH+](C)C ZINC000930500220 628041333 /nfs/dbraw/zinc/04/13/33/628041333.db2.gz RYLQEKLREBBALV-UHFFFAOYSA-N 2 1 295.446 2.471 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000925513971 628050044 /nfs/dbraw/zinc/05/00/44/628050044.db2.gz CJHSFSKVLAYCMU-SWLSCSKDSA-N 2 1 266.360 2.325 20 0 CEADMP COc1cc(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)ccc1C ZINC000925521099 628076185 /nfs/dbraw/zinc/07/61/85/628076185.db2.gz IRNNTNNLKOJLAA-HIFRSBDPSA-N 2 1 262.397 2.276 20 0 CEADMP C[C@H](C[NH3+])CN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902393192 634632818 /nfs/dbraw/zinc/63/28/18/634632818.db2.gz NKMLJIMJJDYADT-ABAIWWIYSA-N 2 1 285.382 2.319 20 0 CEADMP c1ccc(NCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925537983 628151839 /nfs/dbraw/zinc/15/18/39/628151839.db2.gz PNWVQAZWBYBIAE-OAHLLOKOSA-N 2 1 259.397 2.363 20 0 CEADMP COc1ccccc1C1(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925549219 628193169 /nfs/dbraw/zinc/19/31/69/628193169.db2.gz VTISQIZAKALYHS-HNNXBMFYSA-N 2 1 274.408 2.457 20 0 CEADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2([NH3+])CC2)cc1OC ZINC000902403778 634640462 /nfs/dbraw/zinc/64/04/62/634640462.db2.gz BGGMWCAIYAJBDA-VXGBXAGGSA-N 2 1 278.396 2.277 20 0 CEADMP CC[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(C(=O)OC)cc1 ZINC000902405500 634641181 /nfs/dbraw/zinc/64/11/81/634641181.db2.gz IHCNMVMRBGGBHV-ZDUSSCGKSA-N 2 1 262.353 2.005 20 0 CEADMP Clc1ccccc1OCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925620598 628312389 /nfs/dbraw/zinc/31/23/89/628312389.db2.gz BZYNLKRDCQJZEX-GWIBLVFBSA-N 2 1 292.810 2.305 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccnn1C ZINC000925650381 628353335 /nfs/dbraw/zinc/35/33/35/628353335.db2.gz UFOQILJSNQLUPH-GOEBONIOSA-N 2 1 290.455 2.424 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)CC2 ZINC000925658181 628366764 /nfs/dbraw/zinc/36/67/64/628366764.db2.gz NTWBSIPNNAJHQN-QEJZJMRPSA-N 2 1 276.428 2.051 20 0 CEADMP COc1cccc(C2(CN[C@@H]3CCC[NH2+][C@@H]3C)CC2)c1 ZINC000925667340 628386985 /nfs/dbraw/zinc/38/69/85/628386985.db2.gz BUXHYGYIBFHTCR-CZUORRHYSA-N 2 1 274.408 2.457 20 0 CEADMP COc1cccc(C2(C[NH2+][C@@H]3CCC[NH2+][C@@H]3C)CC2)c1 ZINC000925667340 628386987 /nfs/dbraw/zinc/38/69/87/628386987.db2.gz BUXHYGYIBFHTCR-CZUORRHYSA-N 2 1 274.408 2.457 20 0 CEADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C2 ZINC000925668658 628387406 /nfs/dbraw/zinc/38/74/06/628387406.db2.gz JIYVZIZRWICLGE-RBSFLKMASA-N 2 1 288.439 2.025 20 0 CEADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1c[nH+]ccc1N ZINC000902431143 634652697 /nfs/dbraw/zinc/65/26/97/634652697.db2.gz RRGWRVRDMSWZRI-XUJVJEKNSA-N 2 1 263.385 2.086 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1(Cl)Cl ZINC000925679483 628473309 /nfs/dbraw/zinc/47/33/09/628473309.db2.gz DCPZBWRIETWLOW-NXEZZACHSA-N 2 1 263.212 2.445 20 0 CEADMP CC[C@@H](COCC(F)(F)F)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925679149 628471471 /nfs/dbraw/zinc/47/14/71/628471471.db2.gz HTBRTDGOHUKEDU-WDEREUQCSA-N 2 1 280.334 2.218 20 0 CEADMP C[C@@H]([NH3+])[C@H]([NH2+]C[C@H](C)CCCO)c1ccccc1 ZINC000925679299 628474190 /nfs/dbraw/zinc/47/41/90/628474190.db2.gz IJKBZOJNOROINW-NFAWXSAZSA-N 2 1 250.386 2.073 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925685992 628492209 /nfs/dbraw/zinc/49/22/09/628492209.db2.gz PBDBLNWMZVVDHM-WCVJEAGWSA-N 3 1 279.472 2.085 20 0 CEADMP C(COCC1CCCC1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925686673 628493501 /nfs/dbraw/zinc/49/35/01/628493501.db2.gz XCYAUPALNCFPRD-OAHLLOKOSA-N 2 1 266.429 2.458 20 0 CEADMP C[NH+](C)C1(C)CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000931355653 628539315 /nfs/dbraw/zinc/53/93/15/628539315.db2.gz UQKHLVNGNKOAKS-ILXRZTDVSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000925705106 628549904 /nfs/dbraw/zinc/54/99/04/628549904.db2.gz HSZPGYNEDJOJEX-UHFFFAOYSA-N 3 1 279.472 2.348 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccccn1 ZINC000925709754 628557730 /nfs/dbraw/zinc/55/77/30/628557730.db2.gz AAHBBYDCLCWVTH-DZGCQCFKSA-N 2 1 259.397 2.449 20 0 CEADMP C[C@@H](c1ccc(F)nc1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931441747 628581853 /nfs/dbraw/zinc/58/18/53/628581853.db2.gz OLQZYUPTCSUCRX-FPMFFAJLSA-N 2 1 263.360 2.165 20 0 CEADMP C[C@@H](c1ccc(F)nc1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931441747 628581856 /nfs/dbraw/zinc/58/18/56/628581856.db2.gz OLQZYUPTCSUCRX-FPMFFAJLSA-N 2 1 263.360 2.165 20 0 CEADMP C[C@@H](c1ccc(F)nc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931441747 628581857 /nfs/dbraw/zinc/58/18/57/628581857.db2.gz OLQZYUPTCSUCRX-FPMFFAJLSA-N 2 1 263.360 2.165 20 0 CEADMP C[C@@H](c1ccc(F)nc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931441747 628581860 /nfs/dbraw/zinc/58/18/60/628581860.db2.gz OLQZYUPTCSUCRX-FPMFFAJLSA-N 2 1 263.360 2.165 20 0 CEADMP C[C@@H](c1ccc(F)nc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931441747 628581863 /nfs/dbraw/zinc/58/18/63/628581863.db2.gz OLQZYUPTCSUCRX-FPMFFAJLSA-N 2 1 263.360 2.165 20 0 CEADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902449440 634672328 /nfs/dbraw/zinc/67/23/28/634672328.db2.gz OJCNZOZVGVZEEX-JKSUJKDBSA-N 2 1 294.414 2.361 20 0 CEADMP COC[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(F)c(F)c1 ZINC000925741786 628704662 /nfs/dbraw/zinc/70/46/62/628704662.db2.gz NDOPWUMMIPHROJ-ZDUSSCGKSA-N 2 1 272.339 2.369 20 0 CEADMP Cn1nc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1C(F)(F)F ZINC000902456046 634677899 /nfs/dbraw/zinc/67/78/99/634677899.db2.gz NDEBNKSPBKRESE-GXSJLCMTSA-N 2 1 290.333 2.046 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)[C@H]1CCCC[NH2+]1 ZINC000902459031 634679525 /nfs/dbraw/zinc/67/95/25/634679525.db2.gz AQSAPENGVNXTKL-MELADBBJSA-N 2 1 254.418 2.454 20 0 CEADMP [NH3+]CCCOC1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000094072179 628752835 /nfs/dbraw/zinc/75/28/35/628752835.db2.gz NBDDFQYXRVYODU-UHFFFAOYSA-N 2 1 283.803 2.065 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)[C@@H]1CCCC[NH2+]1 ZINC000925773215 628782162 /nfs/dbraw/zinc/78/21/62/628782162.db2.gz MNKBKUONPAPRSQ-MCIONIFRSA-N 2 1 252.402 2.066 20 0 CEADMP COc1ccccc1C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000925781881 628809323 /nfs/dbraw/zinc/80/93/23/628809323.db2.gz HEWZLSOLSBNMEM-VNQPRFMTSA-N 2 1 276.424 2.460 20 0 CEADMP COc1cccc(C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C2CC2)c1 ZINC000925784496 628822703 /nfs/dbraw/zinc/82/27/03/628822703.db2.gz RCKGYMOCSOPEBC-OAUYIBNBSA-N 2 1 274.408 2.214 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000925788219 628828394 /nfs/dbraw/zinc/82/83/94/628828394.db2.gz ZDHJJYMVMHPQGV-JOCBIADPSA-N 2 1 287.451 2.095 20 0 CEADMP FCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925789622 628831978 /nfs/dbraw/zinc/83/19/78/628831978.db2.gz ASFAWFASRDWVKK-SOUVJXGZSA-N 2 1 284.419 2.263 20 0 CEADMP CC(C)n1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000261549101 628936984 /nfs/dbraw/zinc/93/69/84/628936984.db2.gz GXESRXNDDNUKDN-GXTWGEPZSA-N 2 1 250.390 2.023 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000261549101 628936988 /nfs/dbraw/zinc/93/69/88/628936988.db2.gz GXESRXNDDNUKDN-GXTWGEPZSA-N 2 1 250.390 2.023 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCS1 ZINC000925861796 628961657 /nfs/dbraw/zinc/96/16/57/628961657.db2.gz SMTBECMRGYINNP-KJWHEZOQSA-N 2 1 284.469 2.017 20 0 CEADMP c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c2c(c1)OCCO2 ZINC000261688483 628989726 /nfs/dbraw/zinc/98/97/26/628989726.db2.gz ASFKZOMOJNATMM-UHFFFAOYSA-N 2 1 288.391 2.033 20 0 CEADMP COCC[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000447374762 628990039 /nfs/dbraw/zinc/99/00/39/628990039.db2.gz LMSJTFNDJKGYDF-OAGGEKHMSA-N 2 1 298.471 2.233 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902488116 634704089 /nfs/dbraw/zinc/70/40/89/634704089.db2.gz KKLSJQYQAFPEJB-DDBAPUKQSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902488116 634704093 /nfs/dbraw/zinc/70/40/93/634704093.db2.gz KKLSJQYQAFPEJB-DDBAPUKQSA-N 3 1 287.451 2.224 20 0 CEADMP Cc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c2c(n1)CCCC2 ZINC000894082381 629112542 /nfs/dbraw/zinc/11/25/42/629112542.db2.gz DATIDOFLJMNZMI-IYBDPMFKSA-N 2 1 285.435 2.262 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c2c(n1)CCCC2 ZINC000894082381 629112552 /nfs/dbraw/zinc/11/25/52/629112552.db2.gz DATIDOFLJMNZMI-IYBDPMFKSA-N 2 1 285.435 2.262 20 0 CEADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c2c(n1)CCCC2 ZINC000894082381 629112557 /nfs/dbraw/zinc/11/25/57/629112557.db2.gz DATIDOFLJMNZMI-IYBDPMFKSA-N 2 1 285.435 2.262 20 0 CEADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(OC)n1 ZINC000924871690 629139325 /nfs/dbraw/zinc/13/93/25/629139325.db2.gz FZTNMULGSGNEET-ZDUSSCGKSA-N 2 1 274.368 2.336 20 0 CEADMP Cc1ncoc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000894209197 629222450 /nfs/dbraw/zinc/22/24/50/629222450.db2.gz QGKKSKVDTDPTRL-UHFFFAOYSA-N 2 1 289.379 2.213 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(C(=O)OC)c2)C1 ZINC000894212285 629229896 /nfs/dbraw/zinc/22/98/96/629229896.db2.gz YZFQMALJCYYVHM-GFCCVEGCSA-N 2 1 296.436 2.356 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2csc(C(=O)OC)c2)C1 ZINC000894212285 629229898 /nfs/dbraw/zinc/22/98/98/629229898.db2.gz YZFQMALJCYYVHM-GFCCVEGCSA-N 2 1 296.436 2.356 20 0 CEADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261816130 629255483 /nfs/dbraw/zinc/25/54/83/629255483.db2.gz STFVDRZAXIIPCP-CJNGLKHVSA-N 2 1 293.842 2.381 20 0 CEADMP CC(C)n1nccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261835863 629265890 /nfs/dbraw/zinc/26/58/90/629265890.db2.gz JKVHNBHKMISALZ-AEGPPILISA-N 2 1 262.401 2.023 20 0 CEADMP CCC[N@H+]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000328264053 629283249 /nfs/dbraw/zinc/28/32/49/629283249.db2.gz NTYKZYCZGYIQCC-HNNXBMFYSA-N 2 1 267.461 2.323 20 0 CEADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261858891 629285228 /nfs/dbraw/zinc/28/52/28/629285228.db2.gz WQQVKMWMOWSKLE-QWHCGFSZSA-N 2 1 299.378 2.032 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000924947797 629285501 /nfs/dbraw/zinc/28/55/01/629285501.db2.gz AYEXYPNATMILCU-SQHUISNBSA-N 2 1 277.412 2.375 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnnc2)C1 ZINC000924959188 629297227 /nfs/dbraw/zinc/29/72/27/629297227.db2.gz IKLVEOYSVLHHEJ-ZIAGYGMSSA-N 2 1 262.401 2.248 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccnnc2)C1 ZINC000924959188 629297232 /nfs/dbraw/zinc/29/72/32/629297232.db2.gz IKLVEOYSVLHHEJ-ZIAGYGMSSA-N 2 1 262.401 2.248 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000924960342 629297685 /nfs/dbraw/zinc/29/76/85/629297685.db2.gz PNIZBJQQQSHOJW-OWCLPIDISA-N 2 1 295.471 2.288 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000924960342 629297687 /nfs/dbraw/zinc/29/76/87/629297687.db2.gz PNIZBJQQQSHOJW-OWCLPIDISA-N 2 1 295.471 2.288 20 0 CEADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1F ZINC000261962655 629401023 /nfs/dbraw/zinc/40/10/23/629401023.db2.gz HKYBPRQOLAZHEC-UHFFFAOYSA-N 2 1 278.371 2.410 20 0 CEADMP C[NH+](C)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)CCOCC1 ZINC000925059976 629421387 /nfs/dbraw/zinc/42/13/87/629421387.db2.gz FCWHFNFFGURYBU-AGUYFDCRSA-N 2 1 284.469 2.113 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)nc1 ZINC000894496791 629498433 /nfs/dbraw/zinc/49/84/33/629498433.db2.gz QRYFLPYXTDKOHS-BBRMVZONSA-N 2 1 275.396 2.006 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)nc1 ZINC000894496791 629498439 /nfs/dbraw/zinc/49/84/39/629498439.db2.gz QRYFLPYXTDKOHS-BBRMVZONSA-N 2 1 275.396 2.006 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)nc1 ZINC000894496791 629498441 /nfs/dbraw/zinc/49/84/41/629498441.db2.gz QRYFLPYXTDKOHS-BBRMVZONSA-N 2 1 275.396 2.006 20 0 CEADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)nc1 ZINC000894496791 629498446 /nfs/dbraw/zinc/49/84/46/629498446.db2.gz QRYFLPYXTDKOHS-BBRMVZONSA-N 2 1 275.396 2.006 20 0 CEADMP COC[C@@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000902612650 634743491 /nfs/dbraw/zinc/74/34/91/634743491.db2.gz LJGIIJHIKXGXDU-WIGRTHMWSA-N 2 1 297.443 2.276 20 0 CEADMP COC[C@@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000902612650 634743496 /nfs/dbraw/zinc/74/34/96/634743496.db2.gz LJGIIJHIKXGXDU-WIGRTHMWSA-N 2 1 297.443 2.276 20 0 CEADMP COc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)o1 ZINC000894624899 629563544 /nfs/dbraw/zinc/56/35/44/629563544.db2.gz XGPBUEMDFMBRBF-HNNXBMFYSA-N 2 1 264.369 2.206 20 0 CEADMP CO[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CC1(C)C ZINC000894724422 629614278 /nfs/dbraw/zinc/61/42/78/629614278.db2.gz ZPMBFTRMUFJVRH-CQSZACIVSA-N 2 1 254.418 2.075 20 0 CEADMP COc1nccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1F ZINC000894807723 629652461 /nfs/dbraw/zinc/65/24/61/629652461.db2.gz WLXHWZXCYDJGAJ-UHFFFAOYSA-N 2 1 281.375 2.193 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795919697 629712162 /nfs/dbraw/zinc/71/21/62/629712162.db2.gz UOUHLPPGUIBHCY-AWEZNQCLSA-N 2 1 284.444 2.240 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795919697 629712168 /nfs/dbraw/zinc/71/21/68/629712168.db2.gz UOUHLPPGUIBHCY-AWEZNQCLSA-N 2 1 284.444 2.240 20 0 CEADMP CC(C)C[N@@H+](C)CCCNCc1cn2ccnc2s1 ZINC000895136253 629946341 /nfs/dbraw/zinc/94/63/41/629946341.db2.gz FOTLVUMNAKLMNK-UHFFFAOYSA-N 2 1 280.441 2.463 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cn2ccnc2s1 ZINC000895136253 629946345 /nfs/dbraw/zinc/94/63/45/629946345.db2.gz FOTLVUMNAKLMNK-UHFFFAOYSA-N 2 1 280.441 2.463 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cn2ccnc2s1 ZINC000895136253 629946350 /nfs/dbraw/zinc/94/63/50/629946350.db2.gz FOTLVUMNAKLMNK-UHFFFAOYSA-N 2 1 280.441 2.463 20 0 CEADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]CC[C@@H](C)[NH+](C)C)c1C ZINC000895290046 630082124 /nfs/dbraw/zinc/08/21/24/630082124.db2.gz CBBSVYPNADLJFB-LLVKDONJSA-N 2 1 295.427 2.238 20 0 CEADMP COc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)c(C)c1OC ZINC000895292069 630082368 /nfs/dbraw/zinc/08/23/68/630082368.db2.gz DICGHEBSMJHBJC-GFCCVEGCSA-N 2 1 280.412 2.442 20 0 CEADMP C[C@@H](CC[NH2+]Cc1ccnn1-c1ccccc1)[NH+](C)C ZINC000895293519 630085413 /nfs/dbraw/zinc/08/54/13/630085413.db2.gz MUHKAWPEFWCLOB-AWEZNQCLSA-N 2 1 272.396 2.302 20 0 CEADMP COC[C@H](C)C[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895379444 630151240 /nfs/dbraw/zinc/15/12/40/630151240.db2.gz VUUNCNKKCOHZES-KFWWJZLASA-N 2 1 256.434 2.321 20 0 CEADMP CC1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000895490047 630217409 /nfs/dbraw/zinc/21/74/09/630217409.db2.gz KQUKZUMDTLQAHA-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnn(CCF)c1 ZINC000895508071 630221868 /nfs/dbraw/zinc/22/18/68/630221868.db2.gz DTDCJPPLVDETPJ-GOEBONIOSA-N 2 1 296.434 2.405 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnn(CCF)c1 ZINC000895508071 630221870 /nfs/dbraw/zinc/22/18/70/630221870.db2.gz DTDCJPPLVDETPJ-GOEBONIOSA-N 2 1 296.434 2.405 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccn2C)CCN1c1cc[nH+]cc1 ZINC000895556066 630247638 /nfs/dbraw/zinc/24/76/38/630247638.db2.gz GIGRSWYQAIVGDN-CQSZACIVSA-N 2 1 270.380 2.131 20 0 CEADMP COc1cc2c(NC[C@H]3CC[N@H+]3C)cc[nH+]c2cc1F ZINC000895771211 630339739 /nfs/dbraw/zinc/33/97/39/630339739.db2.gz VDNQASSYEYDXPU-SNVBAGLBSA-N 2 1 275.327 2.499 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000896340883 630537495 /nfs/dbraw/zinc/53/74/95/630537495.db2.gz MRKJRQYUQDBOFO-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000896340883 630537497 /nfs/dbraw/zinc/53/74/97/630537497.db2.gz MRKJRQYUQDBOFO-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000896340883 630537499 /nfs/dbraw/zinc/53/74/99/630537499.db2.gz MRKJRQYUQDBOFO-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000896694078 630640786 /nfs/dbraw/zinc/64/07/86/630640786.db2.gz SGQKXYSFBJLMCH-GJZGRUSLSA-N 2 1 295.471 2.192 20 0 CEADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000896694078 630640788 /nfs/dbraw/zinc/64/07/88/630640788.db2.gz SGQKXYSFBJLMCH-GJZGRUSLSA-N 2 1 295.471 2.192 20 0 CEADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000896694078 630640790 /nfs/dbraw/zinc/64/07/90/630640790.db2.gz SGQKXYSFBJLMCH-GJZGRUSLSA-N 2 1 295.471 2.192 20 0 CEADMP CCO[C@@H](C[NH2+]C[C@H](C)c1ccccc1)C[NH+](C)C ZINC000896880308 630699442 /nfs/dbraw/zinc/69/94/42/630699442.db2.gz UGSLLSGOGRFPAG-HOCLYGCPSA-N 2 1 264.413 2.346 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935462 630954595 /nfs/dbraw/zinc/95/45/95/630954595.db2.gz PDLBFJPVAYRSNI-NVXWUHKLSA-N 2 1 276.424 2.259 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnc(N)s3)C2)CC1 ZINC000798956750 630956918 /nfs/dbraw/zinc/95/69/18/630956918.db2.gz MVNQTTQWAZWVIV-UHFFFAOYSA-N 2 1 280.441 2.033 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+](Cc3nnc(C4CC4)o3)C2)CC1 ZINC000799176903 630991902 /nfs/dbraw/zinc/99/19/02/630991902.db2.gz FMVUCYXXRVPRDX-UHFFFAOYSA-N 2 1 290.411 2.255 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nnc(C4CC4)o3)C2)CC1 ZINC000799176903 630991905 /nfs/dbraw/zinc/99/19/05/630991905.db2.gz FMVUCYXXRVPRDX-UHFFFAOYSA-N 2 1 290.411 2.255 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000788020155 630998544 /nfs/dbraw/zinc/99/85/44/630998544.db2.gz NZOVWLIKWVVDOE-CYBMUJFWSA-N 2 1 299.459 2.173 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000904318926 635566807 /nfs/dbraw/zinc/56/68/07/635566807.db2.gz ZRQJFCDBVMIQOU-KBPBESRZSA-N 2 1 256.434 2.234 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@@H](CCO)C1 ZINC000904318926 635566811 /nfs/dbraw/zinc/56/68/11/635566811.db2.gz ZRQJFCDBVMIQOU-KBPBESRZSA-N 2 1 256.434 2.234 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+](CCCCO)C1CC1 ZINC000904320919 635567305 /nfs/dbraw/zinc/56/73/05/635567305.db2.gz QQJOCVQISFETIL-ZDUSSCGKSA-N 2 1 256.434 2.377 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+](CCCCO)C1CC1 ZINC000904320919 635567308 /nfs/dbraw/zinc/56/73/08/635567308.db2.gz QQJOCVQISFETIL-ZDUSSCGKSA-N 2 1 256.434 2.377 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@]2(C)CCC[NH2+]C2)[C@H](C)C1 ZINC000904322616 635569126 /nfs/dbraw/zinc/56/91/26/635569126.db2.gz FMPZYUPZJPGGIE-OWCLPIDISA-N 3 1 267.461 2.038 20 0 CEADMP FC(F)C1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000799717448 631068847 /nfs/dbraw/zinc/06/88/47/631068847.db2.gz FWCBQJDCFPJAEV-CLRIEMFWSA-N 2 1 288.382 2.263 20 0 CEADMP FC(F)C1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000799717448 631068855 /nfs/dbraw/zinc/06/88/55/631068855.db2.gz FWCBQJDCFPJAEV-CLRIEMFWSA-N 2 1 288.382 2.263 20 0 CEADMP CC(C)C[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000985637258 631163719 /nfs/dbraw/zinc/16/37/19/631163719.db2.gz LHVAJPOETLXLSN-MRXNPFEDSA-N 2 1 297.487 2.151 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000925201643 631171368 /nfs/dbraw/zinc/17/13/68/631171368.db2.gz CQUNDGMXUWRCRZ-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000925201643 631171369 /nfs/dbraw/zinc/17/13/69/631171369.db2.gz CQUNDGMXUWRCRZ-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP Cc1ccc(OCC[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000226435222 631201202 /nfs/dbraw/zinc/20/12/02/631201202.db2.gz YOZYBGGQOAEBMG-HNNXBMFYSA-N 2 1 262.397 2.305 20 0 CEADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCN)[C@@H]2CCCC[C@@H]12 ZINC000262961651 631289030 /nfs/dbraw/zinc/28/90/30/631289030.db2.gz KUFLIXFWADRINM-RFBLXINOSA-N 2 1 295.471 2.129 20 0 CEADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC[NH3+])[C@@H]2CCCC[C@@H]12 ZINC000262961651 631289036 /nfs/dbraw/zinc/28/90/36/631289036.db2.gz KUFLIXFWADRINM-RFBLXINOSA-N 2 1 295.471 2.129 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CCCCCC[NH3+] ZINC000237400287 631662516 /nfs/dbraw/zinc/66/25/16/631662516.db2.gz DBHVAVPGIBTBMI-HUUCEWRRSA-N 2 1 283.460 2.132 20 0 CEADMP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897535543 631686912 /nfs/dbraw/zinc/68/69/12/631686912.db2.gz AGAYUINMAMKSOT-QKPAOTATSA-N 2 1 266.429 2.144 20 0 CEADMP CC[C@H]1C[C@H](C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCO1 ZINC000897621824 631828201 /nfs/dbraw/zinc/82/82/01/631828201.db2.gz VONULHKBRMOBJH-FXUDXRNXSA-N 2 1 266.429 2.075 20 0 CEADMP CC[C@H]1C[C@H](C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCO1 ZINC000897621824 631828206 /nfs/dbraw/zinc/82/82/06/631828206.db2.gz VONULHKBRMOBJH-FXUDXRNXSA-N 2 1 266.429 2.075 20 0 CEADMP CC[C@H]1C[C@H](C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCO1 ZINC000897621824 631828208 /nfs/dbraw/zinc/82/82/08/631828208.db2.gz VONULHKBRMOBJH-FXUDXRNXSA-N 2 1 266.429 2.075 20 0 CEADMP C[C@@H]1C[N@@H+](CC(C)(C)CN(C)Cc2ccccc2)C[C@@H]1O ZINC000897684864 631870323 /nfs/dbraw/zinc/87/03/23/631870323.db2.gz YAWJQOJRYLUAIE-WBVHZDCISA-N 2 1 290.451 2.457 20 0 CEADMP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1O ZINC000897684864 631870328 /nfs/dbraw/zinc/87/03/28/631870328.db2.gz YAWJQOJRYLUAIE-WBVHZDCISA-N 2 1 290.451 2.457 20 0 CEADMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1O ZINC000897684864 631870332 /nfs/dbraw/zinc/87/03/32/631870332.db2.gz YAWJQOJRYLUAIE-WBVHZDCISA-N 2 1 290.451 2.457 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CC(N)=NOCCC[NH+]1CCCCC1 ZINC000808257403 631942041 /nfs/dbraw/zinc/94/20/41/631942041.db2.gz OUTJJUAIQLVTFV-OAHLLOKOSA-N 2 1 296.459 2.235 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(C)cn1 ZINC000808378259 631953060 /nfs/dbraw/zinc/95/30/60/631953060.db2.gz IPXJQTFQTNNJBJ-CQSZACIVSA-N 2 1 264.417 2.164 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CCO)cc2)[C@H](C)C1 ZINC000898170523 632079467 /nfs/dbraw/zinc/07/94/67/632079467.db2.gz HPILROQIVHYQLH-PBHICJAKSA-N 2 1 276.424 2.041 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CCO)cc2)[C@@H](C)C1 ZINC000898170527 632080767 /nfs/dbraw/zinc/08/07/67/632080767.db2.gz HPILROQIVHYQLH-WMLDXEAASA-N 2 1 276.424 2.041 20 0 CEADMP O[C@H](CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000898202027 632082721 /nfs/dbraw/zinc/08/27/21/632082721.db2.gz BFLQAOMTXGGMDR-GOSISDBHSA-N 2 1 288.435 2.402 20 0 CEADMP Cc1ncccc1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000898252119 632123410 /nfs/dbraw/zinc/12/34/10/632123410.db2.gz YMJXQXULOHAOST-OAHLLOKOSA-N 2 1 261.413 2.395 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccnc2C)[C@H](C)C1 ZINC000898252739 632123553 /nfs/dbraw/zinc/12/35/53/632123553.db2.gz GZXODEJJDVTBOY-CZUORRHYSA-N 2 1 261.413 2.252 20 0 CEADMP CC(C)CC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000809953590 632160426 /nfs/dbraw/zinc/16/04/26/632160426.db2.gz OQJHWBROOLXING-MRXNPFEDSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)CC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000809953590 632160429 /nfs/dbraw/zinc/16/04/29/632160429.db2.gz OQJHWBROOLXING-MRXNPFEDSA-N 2 1 268.445 2.200 20 0 CEADMP COC1(C[N@@H+](C)CC(C)(C)C[NH+](C)C)CCCC1 ZINC000898307984 632166209 /nfs/dbraw/zinc/16/62/09/632166209.db2.gz KYUODCZZBSEXOW-UHFFFAOYSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989482748 632184530 /nfs/dbraw/zinc/18/45/30/632184530.db2.gz HKTKORXSJKIDIT-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[N@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000989735086 632232544 /nfs/dbraw/zinc/23/25/44/632232544.db2.gz RBXOKRAXRCDOKK-UHFFFAOYSA-N 2 1 295.471 2.197 20 0 CEADMP C(C[N@H+]1CC[C@H]2CSC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000866703701 632341772 /nfs/dbraw/zinc/34/17/72/632341772.db2.gz KOCONRIQSZDLIB-KBPBESRZSA-N 2 1 254.443 2.061 20 0 CEADMP CC1(C)Cc2cc(C[NH2+]C[C@H]([NH3+])C3CC3)ccc2O1 ZINC000841049890 632353668 /nfs/dbraw/zinc/35/36/68/632353668.db2.gz BNEAEJJHYATXTR-AWEZNQCLSA-N 2 1 260.381 2.227 20 0 CEADMP CC[NH+](CC)CCOC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000811443508 632385192 /nfs/dbraw/zinc/38/51/92/632385192.db2.gz MHFWCUASZKPCBF-HNNXBMFYSA-N 2 1 288.407 2.084 20 0 CEADMP CCO[C@H](C[NH2+]C1C[C@@H]2CCC[C@H]2C1)C[NH+](C)C ZINC000926963927 632391853 /nfs/dbraw/zinc/39/18/53/632391853.db2.gz VZGIOXUQQUIRGQ-KCQAQPDRSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCc2cccc3c2OCCO3)CC[N@H+]1C ZINC000927094395 632458825 /nfs/dbraw/zinc/45/88/25/632458825.db2.gz VKEIDWSBAUGTFY-UKRRQHHQSA-N 2 1 290.407 2.073 20 0 CEADMP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C(C)(C)CO ZINC000924740000 632594688 /nfs/dbraw/zinc/59/46/88/632594688.db2.gz RBFGFADEJPROFJ-IJEWVQPXSA-N 2 1 270.461 2.494 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])N[C@@H](C)C2CC2)C1 ZINC000899264558 632761878 /nfs/dbraw/zinc/76/18/78/632761878.db2.gz IGTXKXIFVSLAPC-STQMWFEESA-N 2 1 266.433 2.019 20 0 CEADMP C[C@@H](NC(=[NH2+])NCCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000899263522 632767173 /nfs/dbraw/zinc/76/71/73/632767173.db2.gz BCQJLEOKDJJKKY-QWHCGFSZSA-N 2 1 266.433 2.163 20 0 CEADMP C[C@H](NC(=[NH2+])NCCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000899263523 632767452 /nfs/dbraw/zinc/76/74/52/632767452.db2.gz BCQJLEOKDJJKKY-STQMWFEESA-N 2 1 266.433 2.163 20 0 CEADMP C[C@@H](NC(=[NH2+])NC[C@@H]1[N@@H+](C)CCCC1(C)C)C1CC1 ZINC000899271866 632768891 /nfs/dbraw/zinc/76/88/91/632768891.db2.gz QVMXSCZYIRONSA-YPMHNXCESA-N 2 1 266.433 2.019 20 0 CEADMP C[NH+]1CCC2(CC[N@H+]2C[C@@H](O)CC2CCCC2)CC1 ZINC000899910113 633095213 /nfs/dbraw/zinc/09/52/13/633095213.db2.gz JSEDOPPEEPXJCJ-HNNXBMFYSA-N 2 1 266.429 2.098 20 0 CEADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000817274442 633616630 /nfs/dbraw/zinc/61/66/30/633616630.db2.gz DWBKOONAVIEDJW-DLBZAZTESA-N 2 1 272.392 2.113 20 0 CEADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000817274442 633616632 /nfs/dbraw/zinc/61/66/32/633616632.db2.gz DWBKOONAVIEDJW-DLBZAZTESA-N 2 1 272.392 2.113 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]CCOc2cccnc2)c2ccccc21 ZINC000817892220 633754793 /nfs/dbraw/zinc/75/47/93/633754793.db2.gz KZTVKXQMSPPRMD-HOTGVXAUSA-N 2 1 269.348 2.195 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc(Cl)nc1)[C@@H]1CCC[NH2+]1 ZINC000817902463 633764009 /nfs/dbraw/zinc/76/40/09/633764009.db2.gz QZARLOFPHDQIIX-PWSUYJOCSA-N 2 1 253.777 2.008 20 0 CEADMP C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1c[nH+]ccc1N ZINC000817913978 633772078 /nfs/dbraw/zinc/77/20/78/633772078.db2.gz SOILAOODAAGGME-QMTHXVAHSA-N 2 1 277.393 2.114 20 0 CEADMP CC[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)[C@@H]1CCC[NH2+]1 ZINC000817914703 633773154 /nfs/dbraw/zinc/77/31/54/633773154.db2.gz XVOJXWALZXYHSK-MBNYWOFBSA-N 2 1 268.426 2.076 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2COC3(CCCC3)O2)c2ccccc21 ZINC000817918584 633776521 /nfs/dbraw/zinc/77/65/21/633776521.db2.gz LMMAOYVLVKCZBG-MAZHCROVSA-N 2 1 288.391 2.407 20 0 CEADMP CCc1ccc([C@@H](O)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000817928714 633783682 /nfs/dbraw/zinc/78/36/82/633783682.db2.gz FCIAAELZESDJIM-PXAZEXFGSA-N 2 1 285.391 2.441 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817949700 633794484 /nfs/dbraw/zinc/79/44/84/633794484.db2.gz SEOKCCPVVBBOSL-ZDUSSCGKSA-N 2 1 272.396 2.255 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000818940984 634011201 /nfs/dbraw/zinc/01/12/01/634011201.db2.gz NRNOHHHLZVXBAW-AWEZNQCLSA-N 2 1 286.778 2.196 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000818968002 634019798 /nfs/dbraw/zinc/01/97/98/634019798.db2.gz HWGZCZWBVCYVGW-OAHLLOKOSA-N 2 1 295.333 2.183 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2C)C1 ZINC000818981651 634027660 /nfs/dbraw/zinc/02/76/60/634027660.db2.gz WMPZPQBPXZPSPE-NVXWUHKLSA-N 2 1 276.424 2.350 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000818989511 634031986 /nfs/dbraw/zinc/03/19/86/634031986.db2.gz OLQKAJFYBSTMOK-MRXNPFEDSA-N 2 1 273.380 2.132 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2F)C1 ZINC000819151599 634084893 /nfs/dbraw/zinc/08/48/93/634084893.db2.gz BWTHTWFTRPQUDH-YOEHRIQHSA-N 2 1 294.414 2.427 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@H](O)c1cc(F)ccc1F)C1CC1 ZINC000819360237 634154357 /nfs/dbraw/zinc/15/43/57/634154357.db2.gz BJCWBOGNGKASTL-INIZCTEOSA-N 2 1 298.377 2.462 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2cccc(F)c2)C1 ZINC000819366145 634157502 /nfs/dbraw/zinc/15/75/02/634157502.db2.gz KALABCLOSYBNHI-XJKSGUPXSA-N 2 1 280.387 2.181 20 0 CEADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903058785 634950237 /nfs/dbraw/zinc/95/02/37/634950237.db2.gz SYTFEPOAOAOXKP-NXCDMZCRSA-N 2 1 286.419 2.467 20 0 CEADMP C(C1CC1)[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903093805 634974993 /nfs/dbraw/zinc/97/49/93/634974993.db2.gz VETRBNWJZYTMQK-DUZACMNTSA-N 2 1 289.467 2.218 20 0 CEADMP C(C1CC1)[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903093805 634974994 /nfs/dbraw/zinc/97/49/94/634974994.db2.gz VETRBNWJZYTMQK-DUZACMNTSA-N 2 1 289.467 2.218 20 0 CEADMP C(C1CC1)[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903093805 634974995 /nfs/dbraw/zinc/97/49/95/634974995.db2.gz VETRBNWJZYTMQK-DUZACMNTSA-N 2 1 289.467 2.218 20 0 CEADMP C[S@@](=O)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903167215 635003324 /nfs/dbraw/zinc/00/33/24/635003324.db2.gz IJMZKPLOYZRLED-XHOUOSIJSA-N 2 1 296.480 2.035 20 0 CEADMP CN(C)c1cc[nH+]c(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000903198105 635008231 /nfs/dbraw/zinc/00/82/31/635008231.db2.gz FZSWJBZSDVDNQH-ZACQAIPSSA-N 2 1 288.439 2.110 20 0 CEADMP CN(C)c1ccnc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000903198105 635008234 /nfs/dbraw/zinc/00/82/34/635008234.db2.gz FZSWJBZSDVDNQH-ZACQAIPSSA-N 2 1 288.439 2.110 20 0 CEADMP CN(C)c1ccnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000903198105 635008237 /nfs/dbraw/zinc/00/82/37/635008237.db2.gz FZSWJBZSDVDNQH-ZACQAIPSSA-N 2 1 288.439 2.110 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903186977 635012918 /nfs/dbraw/zinc/01/29/18/635012918.db2.gz XCCLKLMFRVAYTD-UNPWZGGWSA-N 3 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903186977 635012920 /nfs/dbraw/zinc/01/29/20/635012920.db2.gz XCCLKLMFRVAYTD-UNPWZGGWSA-N 3 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903186977 635012924 /nfs/dbraw/zinc/01/29/24/635012924.db2.gz XCCLKLMFRVAYTD-UNPWZGGWSA-N 3 1 291.483 2.466 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@@H](C)O1 ZINC000903210211 635017047 /nfs/dbraw/zinc/01/70/47/635017047.db2.gz VGFXBSZYDGFVCH-LNABEBBMSA-N 2 1 264.413 2.300 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)[C@@H]2CCC[C@@H]21 ZINC000903266447 635038350 /nfs/dbraw/zinc/03/83/50/635038350.db2.gz ZIRIKMCODUTZFC-WOYTXXSLSA-N 2 1 280.456 2.390 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CO)CCc2ccccc2)[C@H](C)C1 ZINC000903290472 635053436 /nfs/dbraw/zinc/05/34/36/635053436.db2.gz WTECYHNJZWQXLW-NXHRZFHOSA-N 2 1 290.451 2.300 20 0 CEADMP CC(C)O[C@@]1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCOC1 ZINC000903357168 635084200 /nfs/dbraw/zinc/08/42/00/635084200.db2.gz KJICLNARWYLOIW-GDBMZVCRSA-N 2 1 284.444 2.033 20 0 CEADMP C[N@H+](Cc1ccc(Cl)nc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430626 635113714 /nfs/dbraw/zinc/11/37/14/635113714.db2.gz YOGXFSDJMSXFFT-PWSUYJOCSA-N 2 1 253.777 2.294 20 0 CEADMP C[N@H+](CC(=O)Nc1cccc(Cl)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431537 635115108 /nfs/dbraw/zinc/11/51/08/635115108.db2.gz YURXECOOLRJDCP-YPMHNXCESA-N 2 1 295.814 2.338 20 0 CEADMP C[C@@H](O)C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000903434776 635115878 /nfs/dbraw/zinc/11/58/78/635115878.db2.gz IWVKJKQIVQTAJB-MCIONIFRSA-N 2 1 254.418 2.129 20 0 CEADMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H](CCO)c1ccccc1 ZINC000903437414 635116960 /nfs/dbraw/zinc/11/69/60/635116960.db2.gz HSHJXRBEZBVADI-KBMXLJTQSA-N 2 1 262.397 2.169 20 0 CEADMP COc1ccccc1[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903440459 635119730 /nfs/dbraw/zinc/11/97/30/635119730.db2.gz YSINFWOCNTTYHT-KFWWJZLASA-N 2 1 274.408 2.340 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CCc1ccns1)CC[NH2+]CC2 ZINC000903459625 635125594 /nfs/dbraw/zinc/12/55/94/635125594.db2.gz MFZRUXUIAKPWQJ-GFCCVEGCSA-N 2 1 265.426 2.150 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000903454604 635137630 /nfs/dbraw/zinc/13/76/30/635137630.db2.gz FCWPPMVTLNUBEL-GUBZILKMSA-N 2 1 268.323 2.059 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000903456700 635139538 /nfs/dbraw/zinc/13/95/38/635139538.db2.gz JGSGDGNWUUFKHS-IPYPFGDCSA-N 2 1 260.381 2.125 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000903456700 635139541 /nfs/dbraw/zinc/13/95/41/635139541.db2.gz JGSGDGNWUUFKHS-IPYPFGDCSA-N 2 1 260.381 2.125 20 0 CEADMP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000903471993 635142991 /nfs/dbraw/zinc/14/29/91/635142991.db2.gz ONSYLQCWKXSXKC-UONOGXRCSA-N 2 1 252.402 2.066 20 0 CEADMP NCC[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903481752 635150216 /nfs/dbraw/zinc/15/02/16/635150216.db2.gz LVUWNSQWEHKZCN-HIFRSBDPSA-N 2 1 281.831 2.228 20 0 CEADMP NCC[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903481752 635150217 /nfs/dbraw/zinc/15/02/17/635150217.db2.gz LVUWNSQWEHKZCN-HIFRSBDPSA-N 2 1 281.831 2.228 20 0 CEADMP Cc1cccc(C)c1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495129 635157182 /nfs/dbraw/zinc/15/71/82/635157182.db2.gz WKHLBUVGQIRPPT-HUUCEWRRSA-N 2 1 289.423 2.159 20 0 CEADMP Cn1nccc1[C@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000903566122 635163993 /nfs/dbraw/zinc/16/39/93/635163993.db2.gz IYLGBXJPYWHTBI-OAHLLOKOSA-N 2 1 264.417 2.466 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000903565366 635164926 /nfs/dbraw/zinc/16/49/26/635164926.db2.gz IDHQEEYLAVHKHM-GFCCVEGCSA-N 2 1 299.212 2.472 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCCSC[C@H]1C1CC1 ZINC000903708223 635229724 /nfs/dbraw/zinc/22/97/24/635229724.db2.gz PEYSKKFLIKDPAX-AWEZNQCLSA-N 2 1 254.443 2.204 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717278 635231929 /nfs/dbraw/zinc/23/19/29/635231929.db2.gz MFYBNDYKYVCMFG-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1ccc(C[N@@H+](C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903717428 635231998 /nfs/dbraw/zinc/23/19/98/635231998.db2.gz AHKLAFWDCBZDLS-DLBZAZTESA-N 2 1 274.408 2.195 20 0 CEADMP CC[N@@H+](CCc1ccccc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903721670 635234910 /nfs/dbraw/zinc/23/49/10/635234910.db2.gz CXMGTXRTIKDASV-QZTJIDSGSA-N 2 1 288.435 2.320 20 0 CEADMP C[N@@H+](Cc1ccc(F)cc1F)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725173 635238166 /nfs/dbraw/zinc/23/81/66/635238166.db2.gz XOOYRKXWPYFOMX-HOCLYGCPSA-N 2 1 296.361 2.165 20 0 CEADMP C[N@H+](Cc1ccc(F)cc1F)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725173 635238170 /nfs/dbraw/zinc/23/81/70/635238170.db2.gz XOOYRKXWPYFOMX-HOCLYGCPSA-N 2 1 296.361 2.165 20 0 CEADMP c1ccc([C@@H]2CC[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903725198 635238755 /nfs/dbraw/zinc/23/87/55/635238755.db2.gz XWOHGLVVNLNPLE-SQNIBIBYSA-N 2 1 286.419 2.245 20 0 CEADMP Cc1cccc(C[N@@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903724929 635238825 /nfs/dbraw/zinc/23/88/25/635238825.db2.gz SKAYYSQJUABJMV-IAGOWNOFSA-N 2 1 274.408 2.195 20 0 CEADMP CC(C)[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729683 635241274 /nfs/dbraw/zinc/24/12/74/635241274.db2.gz QMMDYOTXFKNVDM-OWCLPIDISA-N 2 1 266.429 2.266 20 0 CEADMP C[N@@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H](CCO)c1ccccc1 ZINC000903729746 635241971 /nfs/dbraw/zinc/24/19/71/635241971.db2.gz RNSUPSYHQDMLHW-WBVHZDCISA-N 2 1 276.424 2.432 20 0 CEADMP COC1CCC([N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903730081 635242347 /nfs/dbraw/zinc/24/23/47/635242347.db2.gz UCJBXMOPVXQZGK-GPANFISMSA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903734479 635250705 /nfs/dbraw/zinc/25/07/05/635250705.db2.gz RMDQGQVYDKGUBQ-OWCLPIDISA-N 2 1 266.429 2.267 20 0 CEADMP C[N@@H+](CCC1CCOCC1)C[C@H]1CCCC[NH2+]C1 ZINC000903735439 635251694 /nfs/dbraw/zinc/25/16/94/635251694.db2.gz ZYUGXBVYFHLKRV-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP C[N@H+]1CCN(C[C@@H]2CCCC[NH2+]C2)C2(CCCCC2)C1 ZINC000903740285 635252567 /nfs/dbraw/zinc/25/25/67/635252567.db2.gz FVAFTDLVCCGPPA-MRXNPFEDSA-N 2 1 279.472 2.326 20 0 CEADMP Cc1ccc2c(c1)C[N@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903767225 635258540 /nfs/dbraw/zinc/25/85/40/635258540.db2.gz FWUZELIKBFUTHV-MSOLQXFVSA-N 2 1 286.419 2.122 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903766894 635258699 /nfs/dbraw/zinc/25/86/99/635258699.db2.gz CMVFAJTVWGTIMA-KKOKHZNYSA-N 2 1 280.334 2.298 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903766894 635258702 /nfs/dbraw/zinc/25/87/02/635258702.db2.gz CMVFAJTVWGTIMA-KKOKHZNYSA-N 2 1 280.334 2.298 20 0 CEADMP CC1CC(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000903781942 635267178 /nfs/dbraw/zinc/26/71/78/635267178.db2.gz XWJSUWZJJQUVHV-LXKPXOPUSA-N 2 1 250.308 2.102 20 0 CEADMP FC(F)(F)[C@@H]1CCC[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000903788353 635270756 /nfs/dbraw/zinc/27/07/56/635270756.db2.gz IYOGSQJIVDUUIR-RNJOBUHISA-N 2 1 292.345 2.028 20 0 CEADMP FC(F)(F)[C@@H]1CCC[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000903788353 635270757 /nfs/dbraw/zinc/27/07/57/635270757.db2.gz IYOGSQJIVDUUIR-RNJOBUHISA-N 2 1 292.345 2.028 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2cn3cccnc3n2)CCC1 ZINC000903812957 635286601 /nfs/dbraw/zinc/28/66/01/635286601.db2.gz WKVFFOAIHUFGBR-OAHLLOKOSA-N 2 1 299.422 2.213 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2cn3cccnc3n2)CCC1 ZINC000903812957 635286605 /nfs/dbraw/zinc/28/66/05/635286605.db2.gz WKVFFOAIHUFGBR-OAHLLOKOSA-N 2 1 299.422 2.213 20 0 CEADMP c1csc(C[C@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000903831435 635295649 /nfs/dbraw/zinc/29/56/49/635295649.db2.gz JUOQNTZJGRCZGQ-CHWSQXEVSA-N 2 1 265.426 2.007 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+])c1ccccc1 ZINC000903859014 635311007 /nfs/dbraw/zinc/31/10/07/635311007.db2.gz KXLJXTHPRZILBQ-XHSDSOJGSA-N 2 1 260.381 2.187 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+])c1ccccc1 ZINC000903859014 635311012 /nfs/dbraw/zinc/31/10/12/635311012.db2.gz KXLJXTHPRZILBQ-XHSDSOJGSA-N 2 1 260.381 2.187 20 0 CEADMP CCOC(=O)CC[N@@H+](CC1CC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903888411 635316170 /nfs/dbraw/zinc/31/61/70/635316170.db2.gz BNTQCHVBMSHKBI-MQVJKMGUSA-N 2 1 294.439 2.182 20 0 CEADMP CC(C)[C@@H](C)[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903872808 635321042 /nfs/dbraw/zinc/32/10/42/635321042.db2.gz JACHVNZQXAFWPF-HIFRSBDPSA-N 2 1 291.443 2.212 20 0 CEADMP CC(C)[N@H+]1CCCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903873245 635321502 /nfs/dbraw/zinc/32/15/02/635321502.db2.gz OHZFERHNEHJCTC-UHFFFAOYSA-N 2 1 287.451 2.248 20 0 CEADMP CC(C)CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903883088 635326064 /nfs/dbraw/zinc/32/60/64/635326064.db2.gz FIMVRMFAQJKALM-HNNXBMFYSA-N 2 1 291.443 2.213 20 0 CEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903894960 635330841 /nfs/dbraw/zinc/33/08/41/635330841.db2.gz IUBUFHDRNRZQSI-KFWWJZLASA-N 2 1 291.443 2.213 20 0 CEADMP CC[C@H]1CCCCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903895067 635330992 /nfs/dbraw/zinc/33/09/92/635330992.db2.gz KNFYWSBFDQFILB-GJZGRUSLSA-N 2 1 291.443 2.357 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000903897525 635334314 /nfs/dbraw/zinc/33/43/14/635334314.db2.gz ZTGLMWAZPQXOSU-FBVQUNGASA-N 3 1 291.483 2.467 20 0 CEADMP C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903909244 635342965 /nfs/dbraw/zinc/34/29/65/635342965.db2.gz SCJZVYMKFXIGID-PBHICJAKSA-N 2 1 288.435 2.458 20 0 CEADMP Cc1ccc(CC[NH2+]C[C@H]([NH3+])CC(F)F)c(C)c1 ZINC000903922493 635350189 /nfs/dbraw/zinc/35/01/89/635350189.db2.gz XZAHKOZFIFYAQC-CYBMUJFWSA-N 2 1 256.340 2.418 20 0 CEADMP COc1cc(CC[NH2+]C[C@@H]([NH3+])CC(F)F)ccc1C ZINC000903924660 635353031 /nfs/dbraw/zinc/35/30/31/635353031.db2.gz GKPPLOIPJZPAQB-LBPRGKRZSA-N 2 1 272.339 2.118 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCCC3(CC3)CC2)cnn1C ZINC000903934970 635359475 /nfs/dbraw/zinc/35/94/75/635359475.db2.gz KNZDLJBHEPPAOT-HNNXBMFYSA-N 2 1 290.455 2.112 20 0 CEADMP COC(=O)C(C)(C)C[N@@H+](CC(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000903947687 635380581 /nfs/dbraw/zinc/38/05/81/635380581.db2.gz FDEDIIMVFKFFIO-MRXNPFEDSA-N 2 1 284.444 2.143 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(N)nc1 ZINC000903948959 635382753 /nfs/dbraw/zinc/38/27/53/635382753.db2.gz WNDVOTXFQLGWTR-UHFFFAOYSA-N 2 1 276.428 2.362 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)n1 ZINC000903977311 635394602 /nfs/dbraw/zinc/39/46/02/635394602.db2.gz OUESYOYIBAEYMZ-TZMCWYRMSA-N 2 1 277.412 2.124 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000903978981 635396261 /nfs/dbraw/zinc/39/62/61/635396261.db2.gz QUSMMLZJVXCVER-DDBAPUKQSA-N 3 1 287.451 2.315 20 0 CEADMP CC(C)Oc1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903963961 635397553 /nfs/dbraw/zinc/39/75/53/635397553.db2.gz BGANUNDIDBGQNR-HIFRSBDPSA-N 2 1 262.397 2.419 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000903963893 635398178 /nfs/dbraw/zinc/39/81/78/635398178.db2.gz IVOLOXAACMMSLH-CYGHRXIMSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(Cl)c1F ZINC000903963951 635398199 /nfs/dbraw/zinc/39/81/99/635398199.db2.gz AQFCGAMZSDDZDG-KOLCDFICSA-N 2 1 256.752 2.424 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000903964813 635398984 /nfs/dbraw/zinc/39/89/84/635398984.db2.gz RPTDLEFRGFFVSB-KGLIPLIRSA-N 2 1 291.414 2.371 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904299711 635552859 /nfs/dbraw/zinc/55/28/59/635552859.db2.gz MFEPUVBJYXTZMG-OAHLLOKOSA-N 2 1 274.408 2.443 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904299711 635552865 /nfs/dbraw/zinc/55/28/65/635552865.db2.gz MFEPUVBJYXTZMG-OAHLLOKOSA-N 2 1 274.408 2.443 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904301158 635553720 /nfs/dbraw/zinc/55/37/20/635553720.db2.gz HXRADQQJXZYYCA-SWLSCSKDSA-N 2 1 260.381 2.181 20 0 CEADMP C[C@]1(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)CCC[NH2+]C1 ZINC000904312949 635560132 /nfs/dbraw/zinc/56/01/32/635560132.db2.gz VNBOHWFQBIGMRG-OLZOCXBDSA-N 2 1 294.361 2.419 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)CCC[NH2+]C1 ZINC000904312949 635560137 /nfs/dbraw/zinc/56/01/37/635560137.db2.gz VNBOHWFQBIGMRG-OLZOCXBDSA-N 2 1 294.361 2.419 20 0 CEADMP C[NH+](C)CC1CC[NH+](C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904336951 635562807 /nfs/dbraw/zinc/56/28/07/635562807.db2.gz KUSXFTYELIMGLM-OAHLLOKOSA-N 3 1 269.477 2.414 20 0 CEADMP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904328420 635575169 /nfs/dbraw/zinc/57/51/69/635575169.db2.gz DVNWPHZHDFJPCI-WMLDXEAASA-N 2 1 296.455 2.287 20 0 CEADMP C[C@H](Cc1cccc(F)c1)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904371186 635592780 /nfs/dbraw/zinc/59/27/80/635592780.db2.gz KOOWJQVJISGODN-KYOSRNDESA-N 2 1 250.361 2.426 20 0 CEADMP CN(C[C@@H]([NH3+])CCC(C)(C)C)C[C@@H]1CCC[N@H+]1C ZINC000904372718 635594469 /nfs/dbraw/zinc/59/44/69/635594469.db2.gz HRYBGWLFIDIEAM-KBPBESRZSA-N 2 1 255.450 2.166 20 0 CEADMP CCc1noc(CC)c1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904363818 635596627 /nfs/dbraw/zinc/59/66/27/635596627.db2.gz NRFFZXYXUJQBBF-HNNXBMFYSA-N 2 1 265.401 2.279 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)CCCO2 ZINC000904375857 635601528 /nfs/dbraw/zinc/60/15/28/635601528.db2.gz IAPVSOUPLWMNTE-IUODEOHRSA-N 2 1 260.381 2.323 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)CCCO2 ZINC000904375856 635601985 /nfs/dbraw/zinc/60/19/85/635601985.db2.gz IAPVSOUPLWMNTE-DOMZBBRYSA-N 2 1 260.381 2.323 20 0 CEADMP C[C@]1(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CCC[NH2+]C1 ZINC000904379281 635603204 /nfs/dbraw/zinc/60/32/04/635603204.db2.gz SHCBAHNIBQAWMO-YESZJQIVSA-N 2 1 278.440 2.269 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc3c(c1)CCCO3)C2 ZINC000904380678 635604198 /nfs/dbraw/zinc/60/41/98/635604198.db2.gz FWTOAJWSQICZLA-HDICACEKSA-N 2 1 286.419 2.443 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc3c(c1)CCCO3)C2 ZINC000904380678 635604202 /nfs/dbraw/zinc/60/42/02/635604202.db2.gz FWTOAJWSQICZLA-HDICACEKSA-N 2 1 286.419 2.443 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@@H]1CO ZINC000904380412 635604314 /nfs/dbraw/zinc/60/43/14/635604314.db2.gz LXTYAAVSTIUDOV-MGPQQGTHSA-N 2 1 256.434 2.090 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@@H]1CO ZINC000904380412 635604317 /nfs/dbraw/zinc/60/43/17/635604317.db2.gz LXTYAAVSTIUDOV-MGPQQGTHSA-N 2 1 256.434 2.090 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1OC ZINC000904410629 635616376 /nfs/dbraw/zinc/61/63/76/635616376.db2.gz QAVJWDNYCVMHDS-CYBMUJFWSA-N 2 1 278.396 2.265 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(OC)c1 ZINC000904410069 635616672 /nfs/dbraw/zinc/61/66/72/635616672.db2.gz AARXLXRVXOWCRC-STQMWFEESA-N 2 1 278.396 2.121 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cnc1Cl ZINC000904410849 635616981 /nfs/dbraw/zinc/61/69/81/635616981.db2.gz JHEIEUSCBODOKR-AAEUAGOBSA-N 2 1 267.804 2.460 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(C3CC3)s2)CC[C@@H]1C[NH3+] ZINC000904412841 635620597 /nfs/dbraw/zinc/62/05/97/635620597.db2.gz ZZOSPVGBQYMLDF-ZYHUDNBSSA-N 2 1 265.426 2.437 20 0 CEADMP CCCOc1cc(C[NH2+]CC2([NH3+])CC2)ccc1OC ZINC000904451618 635642347 /nfs/dbraw/zinc/64/23/47/635642347.db2.gz XCCWFOMHYSJPIM-UHFFFAOYSA-N 2 1 264.369 2.065 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904458852 635644935 /nfs/dbraw/zinc/64/49/35/635644935.db2.gz HNBRJBCEYQJBSD-KRWDZBQOSA-N 3 1 289.467 2.352 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccccc2C[NH3+])C[C@H]1C ZINC000904647066 635694713 /nfs/dbraw/zinc/69/47/13/635694713.db2.gz QYCYIXWVEGFULX-OLZOCXBDSA-N 2 1 290.411 2.092 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905041335 635783456 /nfs/dbraw/zinc/78/34/56/635783456.db2.gz HMTRIDABKPGYPE-UONOGXRCSA-N 2 1 298.500 2.260 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000905044326 635785520 /nfs/dbraw/zinc/78/55/20/635785520.db2.gz CEKCMSZNYWMQAO-TZMCWYRMSA-N 2 1 278.387 2.104 20 0 CEADMP CC[C@](O)(C[NH2+]C[C@@H](C)C[NH+]1CCCC1)C(F)(F)F ZINC000905055991 635803161 /nfs/dbraw/zinc/80/31/61/635803161.db2.gz VKMDEYBZWDKASP-NEPJUHHUSA-N 2 1 282.350 2.011 20 0 CEADMP CC(C)[NH+](CCC[NH2+]C[C@@](C)(O)C(F)F)C(C)C ZINC000905149366 635848570 /nfs/dbraw/zinc/84/85/70/635848570.db2.gz ZSKXOXPAZHMWOC-CYBMUJFWSA-N 2 1 266.376 2.101 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000905346582 636232245 /nfs/dbraw/zinc/23/22/45/636232245.db2.gz DBLYSEXIVWJGAD-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)CCC[NH2+]C[C@@](O)(CC)C(F)(F)F ZINC000905872475 636500955 /nfs/dbraw/zinc/50/09/55/636500955.db2.gz VYVHDTJZNMWPGS-NSHDSACASA-N 2 1 270.339 2.011 20 0 CEADMP CC(C)c1[nH+]ccn1CCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000828966042 636739031 /nfs/dbraw/zinc/73/90/31/636739031.db2.gz VDXVCIMERYEKJJ-UHFFFAOYSA-N 2 1 298.390 2.040 20 0 CEADMP CC(C)c1[nH+]ccn1CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000828966081 636739325 /nfs/dbraw/zinc/73/93/25/636739325.db2.gz WFWPPSPRSMTZLN-XJKSGUPXSA-N 2 1 292.427 2.030 20 0 CEADMP CCC1(CC(N)=[NH+]OCC[C@@H]2CCCC[N@@H+]2C)COC1 ZINC000906507930 636759228 /nfs/dbraw/zinc/75/92/28/636759228.db2.gz MFISETYVSURFNF-ZDUSSCGKSA-N 2 1 283.416 2.176 20 0 CEADMP CCC1(CC(N)=[NH+]OCC[C@@H]2CCCC[N@H+]2C)COC1 ZINC000906507930 636759229 /nfs/dbraw/zinc/75/92/29/636759229.db2.gz MFISETYVSURFNF-ZDUSSCGKSA-N 2 1 283.416 2.176 20 0 CEADMP Cn1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c(C2CCCCC2)n1 ZINC000906518372 636765424 /nfs/dbraw/zinc/76/54/24/636765424.db2.gz XPTCHZUMPHIFJV-HDJSIYSDSA-N 2 1 262.401 2.047 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC)C1 ZINC000906645059 636810391 /nfs/dbraw/zinc/81/03/91/636810391.db2.gz QVLGJORBCVUEKH-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC)C1 ZINC000906645059 636810396 /nfs/dbraw/zinc/81/03/96/636810396.db2.gz QVLGJORBCVUEKH-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CC)C1 ZINC000906645059 636810402 /nfs/dbraw/zinc/81/04/02/636810402.db2.gz QVLGJORBCVUEKH-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(C[NH3+])c1 ZINC000829548908 636878482 /nfs/dbraw/zinc/87/84/82/636878482.db2.gz SFNWXEJWXCWOLZ-INIZCTEOSA-N 2 1 289.423 2.140 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000907433234 637022721 /nfs/dbraw/zinc/02/27/21/637022721.db2.gz UGPYCCHIJMGDPP-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000907433234 637022727 /nfs/dbraw/zinc/02/27/27/637022727.db2.gz UGPYCCHIJMGDPP-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000907433234 637022729 /nfs/dbraw/zinc/02/27/29/637022729.db2.gz UGPYCCHIJMGDPP-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CCCCC[NH3+])C1 ZINC000831860409 637448555 /nfs/dbraw/zinc/44/85/55/637448555.db2.gz QWPNIFNUZYNKLG-XHSDSOJGSA-N 2 1 295.471 2.369 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000909023348 637582610 /nfs/dbraw/zinc/58/26/10/637582610.db2.gz ZNGOPAOZNOPVII-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[NH+](CC)C[C@H]2C)C1 ZINC000910269728 637964740 /nfs/dbraw/zinc/96/47/40/637964740.db2.gz DFISVFZPYMKAKV-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[N@H+](CC)C[C@H]2C)C1 ZINC000910269728 637964743 /nfs/dbraw/zinc/96/47/43/637964743.db2.gz DFISVFZPYMKAKV-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[N@@H+](CC)C[C@H]2C)C1 ZINC000910269728 637964744 /nfs/dbraw/zinc/96/47/44/637964744.db2.gz DFISVFZPYMKAKV-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[NH+](CC)C[C@@H]2C)C1 ZINC000910269729 637964917 /nfs/dbraw/zinc/96/49/17/637964917.db2.gz DFISVFZPYMKAKV-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[N@H+](CC)C[C@@H]2C)C1 ZINC000910269729 637964919 /nfs/dbraw/zinc/96/49/19/637964919.db2.gz DFISVFZPYMKAKV-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC[N@@H+](CC)C[C@@H]2C)C1 ZINC000910269729 637964920 /nfs/dbraw/zinc/96/49/20/637964920.db2.gz DFISVFZPYMKAKV-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000834858766 637974044 /nfs/dbraw/zinc/97/40/44/637974044.db2.gz VKSIWGFRWGGRIK-CQSZACIVSA-N 2 1 283.460 2.003 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)C1CCCCC1 ZINC000876723492 650410198 /nfs/dbraw/zinc/41/01/98/650410198.db2.gz CCOZXFRNGWYHOE-GJZGRUSLSA-N 2 1 295.471 2.131 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000911789355 638413052 /nfs/dbraw/zinc/41/30/52/638413052.db2.gz HSIUEYYGODXWED-MRXNPFEDSA-N 2 1 287.407 2.144 20 0 CEADMP C[C@@H]([NH3+])c1nc(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cs1 ZINC000911846907 638442650 /nfs/dbraw/zinc/44/26/50/638442650.db2.gz PUUPBQNVYXZUIX-RKDXNWHRSA-N 2 1 290.392 2.435 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000911920712 638466807 /nfs/dbraw/zinc/46/68/07/638466807.db2.gz LKHSGMZAMFQVJH-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP ClC1(Cl)C[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000876934220 650492483 /nfs/dbraw/zinc/49/24/83/650492483.db2.gz DFPQLDWLNDYWEJ-VWYCJHECSA-N 2 1 263.212 2.397 20 0 CEADMP ClC1(Cl)C[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000876934220 650492485 /nfs/dbraw/zinc/49/24/85/650492485.db2.gz DFPQLDWLNDYWEJ-VWYCJHECSA-N 2 1 263.212 2.397 20 0 CEADMP ClC1(Cl)C[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000876939596 650496343 /nfs/dbraw/zinc/49/63/43/650496343.db2.gz ISTOQXIHKSMOKU-GMTAPVOTSA-N 2 1 263.212 2.397 20 0 CEADMP Cc1ccc2c(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)cc(=O)oc2c1 ZINC000227073723 639572493 /nfs/dbraw/zinc/57/24/93/639572493.db2.gz UTBUAYLNVNYRKJ-SWLSCSKDSA-N 2 1 286.375 2.271 20 0 CEADMP Cc1ccc2c(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)cc(=O)oc2c1 ZINC000227073723 639572497 /nfs/dbraw/zinc/57/24/97/639572497.db2.gz UTBUAYLNVNYRKJ-SWLSCSKDSA-N 2 1 286.375 2.271 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000168929240 639591656 /nfs/dbraw/zinc/59/16/56/639591656.db2.gz NLPYRPKLLJMTSO-OAGGEKHMSA-N 2 1 295.471 2.275 20 0 CEADMP CC(C)C[N@@H+](CCC[NH3+])C[C@H](O)c1ccc(F)cc1 ZINC000841008642 639616348 /nfs/dbraw/zinc/61/63/48/639616348.db2.gz CARQEDCAIHQLES-HNNXBMFYSA-N 2 1 268.376 2.166 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CC[NH2+]1 ZINC000841022915 639619538 /nfs/dbraw/zinc/61/95/38/639619538.db2.gz RXJFGCSEUHEESM-JKSUJKDBSA-N 3 1 279.472 2.182 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000229056598 639673712 /nfs/dbraw/zinc/67/37/12/639673712.db2.gz LUWYOJPCMONBQX-WFASDCNBSA-N 2 1 262.397 2.420 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)[C@H]1C=CCCC1 ZINC000879124983 651247500 /nfs/dbraw/zinc/24/75/00/651247500.db2.gz KZVQXSYCSCFSJA-INIZCTEOSA-N 2 1 266.429 2.385 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@@H]21 ZINC000230045375 639728774 /nfs/dbraw/zinc/72/87/74/639728774.db2.gz ZMIQAEGRNAWSAP-VBNZEHGJSA-N 2 1 278.371 2.264 20 0 CEADMP C[C@@H](C[NH2+]C[C@H](O)c1c(F)cccc1F)C[NH+]1CCCC1 ZINC000062071661 639735590 /nfs/dbraw/zinc/73/55/90/639735590.db2.gz BIYWAGJORUUMTF-WFASDCNBSA-N 2 1 298.377 2.320 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000842474863 640074169 /nfs/dbraw/zinc/07/41/69/640074169.db2.gz ZQOILIDRSQQYAX-HZPDHXFCSA-N 3 1 267.461 2.360 20 0 CEADMP OCCCCCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000842474167 640074289 /nfs/dbraw/zinc/07/42/89/640074289.db2.gz HLRUZGIOCMBZDJ-LSDHHAIUSA-N 2 1 254.418 2.003 20 0 CEADMP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842677999 640147294 /nfs/dbraw/zinc/14/72/94/640147294.db2.gz QDYIHHLZTWCBIB-ROUUACIJSA-N 2 1 299.462 2.477 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842677999 640147300 /nfs/dbraw/zinc/14/73/00/640147300.db2.gz QDYIHHLZTWCBIB-ROUUACIJSA-N 2 1 299.462 2.477 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842677999 640147305 /nfs/dbraw/zinc/14/73/05/640147305.db2.gz QDYIHHLZTWCBIB-ROUUACIJSA-N 2 1 299.462 2.477 20 0 CEADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842677999 640147311 /nfs/dbraw/zinc/14/73/11/640147311.db2.gz QDYIHHLZTWCBIB-ROUUACIJSA-N 2 1 299.462 2.477 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)[nH]1 ZINC000877074003 650560391 /nfs/dbraw/zinc/56/03/91/650560391.db2.gz XKDOVVGHQXGBEG-TZMCWYRMSA-N 2 1 293.411 2.154 20 0 CEADMP COc1cccc2cc(C[N@H+]3CC[C@@H](C[NH3+])C3)oc21 ZINC000843048247 640252264 /nfs/dbraw/zinc/25/22/64/640252264.db2.gz DYOAQZJUUDBYOX-NSHDSACASA-N 2 1 260.337 2.222 20 0 CEADMP Cn1c2ccccc2nc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055699 640258351 /nfs/dbraw/zinc/25/83/51/640258351.db2.gz KSTNTRGGMFPRLO-UHFFFAOYSA-N 2 1 272.396 2.275 20 0 CEADMP Cc1ccc(N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cc1C ZINC000843060741 640264168 /nfs/dbraw/zinc/26/41/68/640264168.db2.gz NZOUMWBPDBTKQG-SFHVURJKSA-N 2 1 287.451 2.425 20 0 CEADMP C([C@@H]1CCCOC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126023 640293602 /nfs/dbraw/zinc/29/36/02/640293602.db2.gz DVLUJUFEKRKAMM-XHSDSOJGSA-N 2 1 266.429 2.125 20 0 CEADMP Cn1c(Cl)cnc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843127961 640294063 /nfs/dbraw/zinc/29/40/63/640294063.db2.gz USSRLBFZMVGKOE-OLZOCXBDSA-N 2 1 296.846 2.285 20 0 CEADMP Cn1c(Cl)cnc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843127961 640294068 /nfs/dbraw/zinc/29/40/68/640294068.db2.gz USSRLBFZMVGKOE-OLZOCXBDSA-N 2 1 296.846 2.285 20 0 CEADMP C[C@](C[NH3+])([NH2+]CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000843355799 640401819 /nfs/dbraw/zinc/40/18/19/640401819.db2.gz JVHFMBJDXJJPFN-NXEZZACHSA-N 2 1 251.201 2.287 20 0 CEADMP CCCCCCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843388623 640413775 /nfs/dbraw/zinc/41/37/75/640413775.db2.gz UOHRGWFOEBCMMV-HZPDHXFCSA-N 2 1 295.471 2.004 20 0 CEADMP c1ccc([C@@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)nc1 ZINC000843388701 640413836 /nfs/dbraw/zinc/41/38/36/640413836.db2.gz CDZULENSTUUEMZ-OAHLLOKOSA-N 2 1 259.397 2.261 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@@H+](CC)C(C)C ZINC000843797951 640528974 /nfs/dbraw/zinc/52/89/74/640528974.db2.gz BZHYHIUSPXCUOK-CQSZACIVSA-N 2 1 294.443 2.243 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@H+](CC)C(C)C ZINC000843797951 640528977 /nfs/dbraw/zinc/52/89/77/640528977.db2.gz BZHYHIUSPXCUOK-CQSZACIVSA-N 2 1 294.443 2.243 20 0 CEADMP C[C@H](CNC(=O)CCCCCC[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000844172260 640623152 /nfs/dbraw/zinc/62/31/52/640623152.db2.gz SFAREYZGSGZCME-LSDHHAIUSA-N 2 1 283.460 2.275 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H]([NH3+])C3CC3)c2C1 ZINC000844179015 640625760 /nfs/dbraw/zinc/62/57/60/640625760.db2.gz DCSHUSXOYWAQMS-HNNXBMFYSA-N 2 1 287.407 2.478 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H]([NH3+])C3CC3)c2C1 ZINC000844179015 640625762 /nfs/dbraw/zinc/62/57/62/640625762.db2.gz DCSHUSXOYWAQMS-HNNXBMFYSA-N 2 1 287.407 2.478 20 0 CEADMP Cc1ccc(N2CC[N@H+](C[C@H]3CC[NH2+]C3)[C@H](C)C2)cc1C ZINC000844221952 640635816 /nfs/dbraw/zinc/63/58/16/640635816.db2.gz ZGCWQPGZBYUOMR-SJORKVTESA-N 2 1 287.451 2.423 20 0 CEADMP Cc1ccc(N2CC[N@@H+](C[C@H]3CC[NH2+]C3)[C@H](C)C2)cc1C ZINC000844221952 640635821 /nfs/dbraw/zinc/63/58/21/640635821.db2.gz ZGCWQPGZBYUOMR-SJORKVTESA-N 2 1 287.451 2.423 20 0 CEADMP CC(C)C[N@H+](C)CCCNc1nc(N2CCCC2)cc[nH+]1 ZINC000845581957 641004249 /nfs/dbraw/zinc/00/42/49/641004249.db2.gz BZJDTCUHCJPZQU-UHFFFAOYSA-N 2 1 291.443 2.467 20 0 CEADMP CC(C)C[N@@H+](C)CCCNc1nc(N2CCCC2)cc[nH+]1 ZINC000845581957 641004253 /nfs/dbraw/zinc/00/42/53/641004253.db2.gz BZJDTCUHCJPZQU-UHFFFAOYSA-N 2 1 291.443 2.467 20 0 CEADMP CC(=O)Nc1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925485655 641018126 /nfs/dbraw/zinc/01/81/26/641018126.db2.gz BIGGUAACFOLWMT-INIZCTEOSA-N 2 1 287.407 2.062 20 0 CEADMP C[N@H+]1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CCC1(C)C ZINC000877206223 650627356 /nfs/dbraw/zinc/62/73/56/650627356.db2.gz DOYAHVFSMBTZAD-LSDHHAIUSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@](C)(O)c1ccccc1 ZINC000846040420 641160225 /nfs/dbraw/zinc/16/02/25/641160225.db2.gz XEULJIRDWOOZQK-HPBDAGMYSA-N 2 1 288.435 2.499 20 0 CEADMP CC[N@@H+](CCC[NH2+]C1CCN(C=O)CC1)C1CCCCC1 ZINC000846182046 641215067 /nfs/dbraw/zinc/21/50/67/641215067.db2.gz JWEYFNLJVAUPTL-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H](O)C[N@@H+](CCCCCC[NH3+])Cc1ccccc1 ZINC000846218350 641226871 /nfs/dbraw/zinc/22/68/71/641226871.db2.gz MDVGOEACQZWTOJ-HNNXBMFYSA-N 2 1 264.413 2.389 20 0 CEADMP C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCCCCC[NH3+])C[C@@H](C)O1 ZINC000846221173 641231294 /nfs/dbraw/zinc/23/12/94/641231294.db2.gz HUKBKJJLAPAYNE-BRWVUGGUSA-N 2 1 297.487 2.079 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCCCC[NH3+])[C@H]1CC[NH3+] ZINC000846226540 641234257 /nfs/dbraw/zinc/23/42/57/641234257.db2.gz OUPLXKOWSJLJQY-CABCVRRESA-N 3 1 255.450 2.345 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000233788751 641339064 /nfs/dbraw/zinc/33/90/64/641339064.db2.gz FXYSWLYUQLHBDD-MRXNPFEDSA-N 2 1 278.396 2.135 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC000847087414 641563816 /nfs/dbraw/zinc/56/38/16/641563816.db2.gz BLYOKEIDGVZGTG-DLBZAZTESA-N 2 1 280.456 2.488 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000847087414 641563819 /nfs/dbraw/zinc/56/38/19/641563819.db2.gz BLYOKEIDGVZGTG-DLBZAZTESA-N 2 1 280.456 2.488 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252860981 641590508 /nfs/dbraw/zinc/59/05/08/641590508.db2.gz NFNXLBMVQUYUTF-VGWMRTNUSA-N 2 1 295.471 2.131 20 0 CEADMP C(CC1CCC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848533912 642038958 /nfs/dbraw/zinc/03/89/58/642038958.db2.gz OCNCOARCKRBDNO-MRXNPFEDSA-N 2 1 266.429 2.410 20 0 CEADMP CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC000995915775 642081976 /nfs/dbraw/zinc/08/19/76/642081976.db2.gz GQQDRBWUIYCIFL-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP C[NH+](C)CCCOC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848776530 642139182 /nfs/dbraw/zinc/13/91/82/642139182.db2.gz JAZDPUSYNPNMEW-MRXNPFEDSA-N 2 1 290.407 2.003 20 0 CEADMP CC(C)[N@@H+](C)CCCNCc1cccc2[nH]c(=O)oc21 ZINC000921520980 642188092 /nfs/dbraw/zinc/18/80/92/642188092.db2.gz KONSPAANQNIVSJ-UHFFFAOYSA-N 2 1 277.368 2.353 20 0 CEADMP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000848981599 642204278 /nfs/dbraw/zinc/20/42/78/642204278.db2.gz BWFRODIBLOUVKL-CHWSQXEVSA-N 2 1 278.400 2.329 20 0 CEADMP CN1CCC[NH+]=C1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000848981579 642204505 /nfs/dbraw/zinc/20/45/05/642204505.db2.gz VVRYJJHVKKIRMT-CYBMUJFWSA-N 2 1 292.452 2.166 20 0 CEADMP Cc1ccc(CNC(=[NH2+])NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000848987776 642210186 /nfs/dbraw/zinc/21/01/86/642210186.db2.gz ZSAXUBIKVMZARZ-HNNXBMFYSA-N 2 1 288.439 2.341 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921537886 642213776 /nfs/dbraw/zinc/21/37/76/642213776.db2.gz ZPXNWTKAOSSJQQ-CQSZACIVSA-N 2 1 277.412 2.389 20 0 CEADMP CC[N@H+]1CC[C@@H](CNCc2ccc(C(=O)OC)cc2F)C1 ZINC000921545423 642220179 /nfs/dbraw/zinc/22/01/79/642220179.db2.gz FPHZZIYDJYISQG-LBPRGKRZSA-N 2 1 294.370 2.044 20 0 CEADMP CCc1cccc(CC)c1NC(=[NH2+])NCC[NH+]1CCC1 ZINC000849014639 642230897 /nfs/dbraw/zinc/23/08/97/642230897.db2.gz HQIFGQAFNQUVIS-UHFFFAOYSA-N 2 1 274.412 2.453 20 0 CEADMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])NCCc2ccccc2)C1 ZINC000849040987 642251475 /nfs/dbraw/zinc/25/14/75/642251475.db2.gz GQBYDBWAGVNDFE-INIZCTEOSA-N 2 1 288.439 2.075 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=[NH2+])N1CCCCCC1 ZINC000849046905 642255876 /nfs/dbraw/zinc/25/58/76/642255876.db2.gz NATKCJODWJIOCP-UHFFFAOYSA-N 2 1 268.449 2.365 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CNC1=[NH+]CCCCN1 ZINC000849215482 642284954 /nfs/dbraw/zinc/28/49/54/642284954.db2.gz LQTVSYFMYCMXPB-UHFFFAOYSA-N 2 1 288.439 2.356 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(C)cnc1Cl ZINC000921626638 642287298 /nfs/dbraw/zinc/28/72/98/642287298.db2.gz AOFQFVIPPIPPOB-UHFFFAOYSA-N 2 1 264.760 2.338 20 0 CEADMP CCOC(=O)C1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000877473153 650737956 /nfs/dbraw/zinc/73/79/56/650737956.db2.gz DTIOIRYQNKPPLA-KBPBESRZSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H]2CC2(Cl)Cl)CCCO1 ZINC000877478957 650740765 /nfs/dbraw/zinc/74/07/65/650740765.db2.gz SNPCQYJCUGVIOQ-NEPJUHHUSA-N 2 1 295.254 2.271 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(C)C)C1 ZINC000999323948 642480948 /nfs/dbraw/zinc/48/09/48/642480948.db2.gz ZKWKRJCFVYOBCG-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(C)C)C1 ZINC000999323940 642481338 /nfs/dbraw/zinc/48/13/38/642481338.db2.gz ZKWKRJCFVYOBCG-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921689007 642528484 /nfs/dbraw/zinc/52/84/84/642528484.db2.gz ORHFVOGIFWAPCE-AWEZNQCLSA-N 2 1 282.407 2.063 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921689007 642528488 /nfs/dbraw/zinc/52/84/88/642528488.db2.gz ORHFVOGIFWAPCE-AWEZNQCLSA-N 2 1 282.407 2.063 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921714497 642558115 /nfs/dbraw/zinc/55/81/15/642558115.db2.gz BAPVMKHVBLHTAZ-ZDUSSCGKSA-N 2 1 262.401 2.040 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921714497 642558118 /nfs/dbraw/zinc/55/81/18/642558118.db2.gz BAPVMKHVBLHTAZ-ZDUSSCGKSA-N 2 1 262.401 2.040 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cc2c(cc[nH]c2=O)o1 ZINC000877532612 650772124 /nfs/dbraw/zinc/77/21/24/650772124.db2.gz VRYJVGJYKFXLNN-SMDDNHRTSA-N 2 1 289.379 2.305 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC)C1 ZINC001000665494 642638108 /nfs/dbraw/zinc/63/81/08/642638108.db2.gz SWPHNPHJTAMPJE-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP C([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCOC1 ZINC000850382415 642692137 /nfs/dbraw/zinc/69/21/37/642692137.db2.gz RIGUDOXJXVBFPD-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP C([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCOC1 ZINC000850382415 642692139 /nfs/dbraw/zinc/69/21/39/642692139.db2.gz RIGUDOXJXVBFPD-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850509441 642735725 /nfs/dbraw/zinc/73/57/25/642735725.db2.gz QDDOCONTAXZLIF-XYPHTWIQSA-N 2 1 274.408 2.141 20 0 CEADMP CS[C@H]1CCC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000922099002 642878512 /nfs/dbraw/zinc/87/85/12/642878512.db2.gz NAHXCCPOOQJCNB-GJZGRUSLSA-N 2 1 299.528 2.276 20 0 CEADMP CC[C@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001003161869 642918595 /nfs/dbraw/zinc/91/85/95/642918595.db2.gz ZFUJRDKOXJMKLV-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000922181024 642939546 /nfs/dbraw/zinc/93/95/46/642939546.db2.gz KOIAWOOSGGDPDR-AWEZNQCLSA-N 2 1 276.428 2.430 20 0 CEADMP CO[C@@H]1CC[C@H]([N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000851784171 643161024 /nfs/dbraw/zinc/16/10/24/643161024.db2.gz HSOZEKLOVVXZNW-OWCLPIDISA-N 2 1 266.429 2.362 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC(F)F)C[C@H]1C ZINC000851796809 643167433 /nfs/dbraw/zinc/16/74/33/643167433.db2.gz KQLKAKFMRUGFAG-GHMZBOCLSA-N 2 1 250.333 2.030 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC(F)F)C[C@H]1C ZINC000851796809 643167434 /nfs/dbraw/zinc/16/74/34/643167434.db2.gz KQLKAKFMRUGFAG-GHMZBOCLSA-N 2 1 250.333 2.030 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC(F)F)C[C@H]1C ZINC000851796809 643167438 /nfs/dbraw/zinc/16/74/38/643167438.db2.gz KQLKAKFMRUGFAG-GHMZBOCLSA-N 2 1 250.333 2.030 20 0 CEADMP CC1(C)OC[C@H](CC[N@H+]2CCC[C@H](c3ncc[nH]3)C2)O1 ZINC000851845697 643188493 /nfs/dbraw/zinc/18/84/93/643188493.db2.gz MEAFDEUYPRJDSX-STQMWFEESA-N 2 1 279.384 2.131 20 0 CEADMP CC1(C)OC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)O1 ZINC000851860032 643195636 /nfs/dbraw/zinc/19/56/36/643195636.db2.gz FOGNSCORRNOSJF-VNQPRFMTSA-N 2 1 294.439 2.087 20 0 CEADMP C(Cc1nc2c(s1)CCC2)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922715929 643221646 /nfs/dbraw/zinc/22/16/46/643221646.db2.gz PGDLLIWBMYKCLM-OLZOCXBDSA-N 2 1 291.464 2.391 20 0 CEADMP COC(CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)OC ZINC000851926738 643228323 /nfs/dbraw/zinc/22/83/23/643228323.db2.gz WQXLFFDHCYJJAW-KBPBESRZSA-N 2 1 284.444 2.238 20 0 CEADMP CCO[C@H](C[NH2+]C1CCC2(CC2)CC1)C[NH+](C)C ZINC000922753056 643243705 /nfs/dbraw/zinc/24/37/05/643243705.db2.gz BUFVBLCMUXAOKI-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP CCO[C@@H](C[NH2+]C[C@H](C)c1ccc(OC)cc1)C[NH+](C)C ZINC000922758941 643248871 /nfs/dbraw/zinc/24/88/71/643248871.db2.gz YTXHBAJQPYZZNI-YOEHRIQHSA-N 2 1 294.439 2.355 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1OC ZINC000925487562 643250588 /nfs/dbraw/zinc/25/05/88/643250588.db2.gz DIHIVDPWIMUPGZ-MRXNPFEDSA-N 2 1 290.407 2.121 20 0 CEADMP CC[C@](C)(C[N@@H+](CCOC)CC1CC[NH+](C)CC1)OC ZINC000877664216 650839714 /nfs/dbraw/zinc/83/97/14/650839714.db2.gz KCALUHMOJYDXGH-MRXNPFEDSA-N 2 1 286.460 2.092 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000852563825 643474529 /nfs/dbraw/zinc/47/45/29/643474529.db2.gz CJTAZWOBIKSSIY-WMLDXEAASA-N 2 1 284.407 2.359 20 0 CEADMP C[C@@H]1CCC[C@H](CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000877669630 650842508 /nfs/dbraw/zinc/84/25/08/650842508.db2.gz RHBGQZNPSWYJSI-XMTFNYHQSA-N 2 1 295.515 2.484 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C1CCCC1 ZINC000852748569 643533703 /nfs/dbraw/zinc/53/37/03/643533703.db2.gz XHGGBMFTRBUCSB-CVEARBPZSA-N 2 1 266.429 2.267 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C=C1CC[NH2+]CC1 ZINC000852882768 643587623 /nfs/dbraw/zinc/58/76/23/643587623.db2.gz ASYLWQLHWYRCJW-UHFFFAOYSA-N 2 1 293.455 2.019 20 0 CEADMP [NH3+]CCCCCCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000852899951 643594295 /nfs/dbraw/zinc/59/42/95/643594295.db2.gz PFBZHJRGRKHJQB-CABCVRRESA-N 2 1 281.444 2.029 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC1SCCS1 ZINC000853022966 643624140 /nfs/dbraw/zinc/62/41/40/643624140.db2.gz JDPRNBLEFWMMJO-CKYFFXLPSA-N 2 1 260.472 2.159 20 0 CEADMP C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC000923279050 643636365 /nfs/dbraw/zinc/63/63/65/643636365.db2.gz BRINEGKDSKICKY-AWEZNQCLSA-N 2 1 286.778 2.196 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC000923279050 643636370 /nfs/dbraw/zinc/63/63/70/643636370.db2.gz BRINEGKDSKICKY-AWEZNQCLSA-N 2 1 286.778 2.196 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000923296574 643647179 /nfs/dbraw/zinc/64/71/79/643647179.db2.gz ICQNBPPLPCLZDA-HOTGVXAUSA-N 2 1 264.413 2.334 20 0 CEADMP C[N@@H+](Cc1ccc2ccccc2c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923296867 643648401 /nfs/dbraw/zinc/64/84/01/643648401.db2.gz AVTSAWVXCBAPSQ-ULQDDVLXSA-N 2 1 270.376 2.122 20 0 CEADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301683 643649078 /nfs/dbraw/zinc/64/90/78/643649078.db2.gz LGKZYOBSKRNQLK-IUODEOHRSA-N 2 1 278.371 2.197 20 0 CEADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[C@H]1C1CCCC1 ZINC000923308468 643650149 /nfs/dbraw/zinc/65/01/49/643650149.db2.gz DRUVGUINTLFUTP-CABCVRRESA-N 2 1 264.413 2.020 20 0 CEADMP CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923305949 643651749 /nfs/dbraw/zinc/65/17/49/643651749.db2.gz NAXLATBRTXVBLA-GXTWGEPZSA-N 2 1 292.448 2.436 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC000853097430 643652406 /nfs/dbraw/zinc/65/24/06/643652406.db2.gz AZEPJVBRQVUANC-DOTOQJQBSA-N 2 1 291.439 2.217 20 0 CEADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923314527 643654388 /nfs/dbraw/zinc/65/43/88/643654388.db2.gz AGDCGJLOEJKXER-PVAVHDDUSA-N 2 1 286.419 2.243 20 0 CEADMP OCCCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000923317270 643655686 /nfs/dbraw/zinc/65/56/86/643655686.db2.gz YYIVZGRLOTZMAW-GOOCMWNKSA-N 2 1 266.429 2.144 20 0 CEADMP CCC[C@]1(C)CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923317683 643656146 /nfs/dbraw/zinc/65/61/46/643656146.db2.gz VJPFCYWTRVJKCK-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCCCCCC1 ZINC000923310002 643658619 /nfs/dbraw/zinc/65/86/19/643658619.db2.gz AXGOIORBMMETDO-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP c1cnn(C[C@@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923322382 643662155 /nfs/dbraw/zinc/66/21/55/643662155.db2.gz KYUPWHRQYHWFHN-HMQMGEFJSA-N 2 1 288.439 2.268 20 0 CEADMP C(C[N@H+]1CCC[C@H]1CN1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923322270 643662573 /nfs/dbraw/zinc/66/25/73/643662573.db2.gz NBVVIBFJQBFDTM-FBVQUNGASA-N 2 1 291.483 2.467 20 0 CEADMP C(CN1CCC[C@H]1C[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923322270 643662575 /nfs/dbraw/zinc/66/25/75/643662575.db2.gz NBVVIBFJQBFDTM-FBVQUNGASA-N 2 1 291.483 2.467 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923333469 643665701 /nfs/dbraw/zinc/66/57/01/643665701.db2.gz QXQSYMCDJKVSKC-LSDHHAIUSA-N 2 1 254.418 2.003 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000923333013 643665931 /nfs/dbraw/zinc/66/59/31/643665931.db2.gz OHXFKFKEHPRCAD-JONQDZQNSA-N 2 1 268.445 2.377 20 0 CEADMP CC[N@@H+](C[C@@H](O)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000923336058 643668146 /nfs/dbraw/zinc/66/81/46/643668146.db2.gz PUAVVNFTFWWLHM-HZPDHXFCSA-N 2 1 262.397 2.184 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)CC(F)(F)F ZINC000923357902 643676842 /nfs/dbraw/zinc/67/68/42/643676842.db2.gz AMJQFLQLQZELRA-XQQFMLRXSA-N 2 1 294.361 2.011 20 0 CEADMP O[C@H](C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000923364576 643679530 /nfs/dbraw/zinc/67/95/30/643679530.db2.gz OCQGRGOWJLNIFH-IXDOHACOSA-N 2 1 274.408 2.184 20 0 CEADMP CCc1ncc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000923364541 643679707 /nfs/dbraw/zinc/67/97/07/643679707.db2.gz NRVZJXIVJMJVMT-OCCSQVGLSA-N 2 1 263.385 2.201 20 0 CEADMP CCc1ncc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000923364541 643679709 /nfs/dbraw/zinc/67/97/09/643679709.db2.gz NRVZJXIVJMJVMT-OCCSQVGLSA-N 2 1 263.385 2.201 20 0 CEADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923368800 643681711 /nfs/dbraw/zinc/68/17/11/643681711.db2.gz TVUCSCBPOQJFLM-HUUCEWRRSA-N 2 1 294.439 2.006 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923362218 643683728 /nfs/dbraw/zinc/68/37/28/643683728.db2.gz MAVONVHXWCNCCU-IXDOHACOSA-N 2 1 280.456 2.249 20 0 CEADMP C[C@@H]1CC[N@@H+](CCc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000923375340 643685567 /nfs/dbraw/zinc/68/55/67/643685567.db2.gz JZYNFJZTFILXJX-TZMCWYRMSA-N 2 1 250.361 2.285 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)CCc1ccccc1)C2 ZINC000923386215 643691584 /nfs/dbraw/zinc/69/15/84/643691584.db2.gz HYIJWBIPBAMLTP-BZSNNMDCSA-N 2 1 288.435 2.041 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000923388063 643692973 /nfs/dbraw/zinc/69/29/73/643692973.db2.gz QSTLYOKUTCBWSC-BXUZGUMPSA-N 2 1 265.401 2.495 20 0 CEADMP CCc1ncc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)o1 ZINC000923415471 643703120 /nfs/dbraw/zinc/70/31/20/643703120.db2.gz QICVBWMSBQQAAO-HNNXBMFYSA-N 2 1 265.401 2.434 20 0 CEADMP CCc1ncc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)o1 ZINC000923415471 643703123 /nfs/dbraw/zinc/70/31/23/643703123.db2.gz QICVBWMSBQQAAO-HNNXBMFYSA-N 2 1 265.401 2.434 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)CC1CCCC1 ZINC000923428855 643707490 /nfs/dbraw/zinc/70/74/90/643707490.db2.gz LQEQLPAHWXSOMX-GJZGRUSLSA-N 2 1 266.429 2.192 20 0 CEADMP CC(C)(C)c1cc2n(n1)CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000923442702 643718788 /nfs/dbraw/zinc/71/87/88/643718788.db2.gz TUEKKHVEWANWBO-UHFFFAOYSA-N 2 1 290.455 2.386 20 0 CEADMP CCc1nn(C)c(Cl)c1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000853247295 643720760 /nfs/dbraw/zinc/72/07/60/643720760.db2.gz KLMWSNGNOQYPON-LLVKDONJSA-N 2 1 272.824 2.099 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000923479130 643730700 /nfs/dbraw/zinc/73/07/00/643730700.db2.gz MAVDOWNGIJUQJQ-LLVKDONJSA-N 2 1 261.394 2.467 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)CC[C@H]1C[NH3+] ZINC000923495709 643733996 /nfs/dbraw/zinc/73/39/96/643733996.db2.gz FELZLCYHMRYDAT-ZBFHGGJFSA-N 2 1 284.407 2.289 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923495313 643734415 /nfs/dbraw/zinc/73/44/15/643734415.db2.gz AJOKDQFJYALJOB-SWLSCSKDSA-N 2 1 275.396 2.062 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ncccc2Br)CC[C@@H]1C[NH3+] ZINC000923488354 643735262 /nfs/dbraw/zinc/73/52/62/643735262.db2.gz DTVIELMJOKNYKG-GHMZBOCLSA-N 2 1 298.228 2.261 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)C1CCCCC1 ZINC000923490606 643736406 /nfs/dbraw/zinc/73/64/06/643736406.db2.gz OINKACPTSQOHHF-NUEKZKHPSA-N 2 1 268.445 2.498 20 0 CEADMP CCN(C(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1)C1CCCCC1 ZINC000923510923 643746470 /nfs/dbraw/zinc/74/64/70/643746470.db2.gz YASHCXBXCRWJOL-HUUCEWRRSA-N 2 1 295.471 2.084 20 0 CEADMP c1cc(C[N@@H+]2CCOC[C@@H]2CC2CC2)c2c(c1)C[NH2+]CC2 ZINC000923555206 643761331 /nfs/dbraw/zinc/76/13/31/643761331.db2.gz RFKUWSSPSMMHGU-KRWDZBQOSA-N 2 1 286.419 2.333 20 0 CEADMP CN(C)c1cc[nH+]c(NC[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000853998616 643964115 /nfs/dbraw/zinc/96/41/15/643964115.db2.gz AUBKYNNVNDLRJI-CQSZACIVSA-N 2 1 289.427 2.077 20 0 CEADMP CN(C)c1cc[nH+]c(NC[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000853998616 643964116 /nfs/dbraw/zinc/96/41/16/643964116.db2.gz AUBKYNNVNDLRJI-CQSZACIVSA-N 2 1 289.427 2.077 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1C ZINC000877739610 650882501 /nfs/dbraw/zinc/88/25/01/650882501.db2.gz OWLRXJOSYWGVSB-GOEBONIOSA-N 2 1 289.423 2.233 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1C ZINC000877739610 650882503 /nfs/dbraw/zinc/88/25/03/650882503.db2.gz OWLRXJOSYWGVSB-GOEBONIOSA-N 2 1 289.423 2.233 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000854228792 644017494 /nfs/dbraw/zinc/01/74/94/644017494.db2.gz CLTLJYWZAMEJBO-UGUYLWEFSA-N 2 1 260.381 2.414 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229671 644017549 /nfs/dbraw/zinc/01/75/49/644017549.db2.gz UISNLFNEJZKCFJ-LOWDOPEQSA-N 2 1 274.355 2.050 20 0 CEADMP C[N@@H+](C[C@H](O)C1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000838859552 644051155 /nfs/dbraw/zinc/05/11/55/644051155.db2.gz LISXPYMAEFUHJV-AEFFLSMTSA-N 2 1 288.435 2.211 20 0 CEADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877744320 650890444 /nfs/dbraw/zinc/89/04/44/650890444.db2.gz RNAJJCOFOOVMDE-DOTOQJQBSA-N 2 1 287.407 2.171 20 0 CEADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877744320 650890445 /nfs/dbraw/zinc/89/04/45/650890445.db2.gz RNAJJCOFOOVMDE-DOTOQJQBSA-N 2 1 287.407 2.171 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877744320 650890447 /nfs/dbraw/zinc/89/04/47/650890447.db2.gz RNAJJCOFOOVMDE-DOTOQJQBSA-N 2 1 287.407 2.171 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877744320 650890452 /nfs/dbraw/zinc/89/04/52/650890452.db2.gz RNAJJCOFOOVMDE-DOTOQJQBSA-N 2 1 287.407 2.171 20 0 CEADMP c1ccc2c(c1)CCN2CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000754793308 644431779 /nfs/dbraw/zinc/43/17/79/644431779.db2.gz FQTLDADIDUQYMA-IRXDYDNUSA-N 2 1 285.435 2.266 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCN[C@H]1C)N1CCc2ccccc21 ZINC000925489865 644596860 /nfs/dbraw/zinc/59/68/60/644596860.db2.gz FXUVJWLFGZMFLF-IJEWVQPXSA-N 2 1 273.424 2.168 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)N1CCc2ccccc21 ZINC000925489865 644596863 /nfs/dbraw/zinc/59/68/63/644596863.db2.gz FXUVJWLFGZMFLF-IJEWVQPXSA-N 2 1 273.424 2.168 20 0 CEADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C(C)C)C2)ccn1 ZINC000856594423 644695921 /nfs/dbraw/zinc/69/59/21/644695921.db2.gz VRFNDWQUTYIFJT-MRXNPFEDSA-N 2 1 277.412 2.395 20 0 CEADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C(C)C)C2)ccn1 ZINC000856594423 644695924 /nfs/dbraw/zinc/69/59/24/644695924.db2.gz VRFNDWQUTYIFJT-MRXNPFEDSA-N 2 1 277.412 2.395 20 0 CEADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C(C)C)C2)ccn1 ZINC000856594423 644695930 /nfs/dbraw/zinc/69/59/30/644695930.db2.gz VRFNDWQUTYIFJT-MRXNPFEDSA-N 2 1 277.412 2.395 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(C)=O)CC1 ZINC000114475777 644697498 /nfs/dbraw/zinc/69/74/98/644697498.db2.gz SHDUEVGUYKCKTE-UHFFFAOYSA-N 2 1 254.418 2.409 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000011888767 644948829 /nfs/dbraw/zinc/94/88/29/644948829.db2.gz LCSKBBYLGYOLCX-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000011888767 644948830 /nfs/dbraw/zinc/94/88/30/644948830.db2.gz LCSKBBYLGYOLCX-AWEZNQCLSA-N 2 1 278.396 2.135 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccsc2)CC1(C)C ZINC000858143238 645073356 /nfs/dbraw/zinc/07/33/56/645073356.db2.gz IBSIVLJJZBENPB-STQMWFEESA-N 2 1 268.426 2.244 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccsc2)CC1(C)C ZINC000858143238 645073357 /nfs/dbraw/zinc/07/33/57/645073357.db2.gz IBSIVLJJZBENPB-STQMWFEESA-N 2 1 268.426 2.244 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNc2cc[nH+]c(CO)c2)C1 ZINC000858350967 645127898 /nfs/dbraw/zinc/12/78/98/645127898.db2.gz DAEXLLYYBASJJQ-AWEZNQCLSA-N 2 1 277.412 2.498 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC[NH+]2CCCC2)C1 ZINC000760854647 645202276 /nfs/dbraw/zinc/20/22/76/645202276.db2.gz BMPGFUUOTWBYCP-IXDOHACOSA-N 2 1 279.472 2.419 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC[C@@H]21 ZINC000878197503 651033987 /nfs/dbraw/zinc/03/39/87/651033987.db2.gz NHLKWFYOGDUBOT-QEOTZNIISA-N 2 1 278.440 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC[C@@H]21 ZINC000878197503 651033988 /nfs/dbraw/zinc/03/39/88/651033988.db2.gz NHLKWFYOGDUBOT-QEOTZNIISA-N 2 1 278.440 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC[C@@H]21 ZINC000878197503 651033989 /nfs/dbraw/zinc/03/39/89/651033989.db2.gz NHLKWFYOGDUBOT-QEOTZNIISA-N 2 1 278.440 2.360 20 0 CEADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000765293026 645753479 /nfs/dbraw/zinc/75/34/79/645753479.db2.gz YDBKDFGJKKLDGW-SFHVURJKSA-N 2 1 288.435 2.419 20 0 CEADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CC[N@@H+](C)C2)CC1 ZINC000765768788 645805927 /nfs/dbraw/zinc/80/59/27/645805927.db2.gz KFOQVWRUWAKBFZ-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCN(C)C2)CC1 ZINC000765768788 645805932 /nfs/dbraw/zinc/80/59/32/645805932.db2.gz KFOQVWRUWAKBFZ-HYVNUMGLSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCC1CC1 ZINC000878288232 651054250 /nfs/dbraw/zinc/05/42/50/651054250.db2.gz SVLATDVKOKAOKV-PMPSAXMXSA-N 2 1 266.429 2.360 20 0 CEADMP CCC[N@H+](CCc1cccs1)C[C@H](O)C[NH+]1CCCC1 ZINC000766942043 645939478 /nfs/dbraw/zinc/93/94/78/645939478.db2.gz GKEJBDXEPJLBJR-HNNXBMFYSA-N 2 1 296.480 2.459 20 0 CEADMP CCC[N@@H+](CCc1cccs1)C[C@H](O)C[NH+]1CCCC1 ZINC000766942043 645939479 /nfs/dbraw/zinc/93/94/79/645939479.db2.gz GKEJBDXEPJLBJR-HNNXBMFYSA-N 2 1 296.480 2.459 20 0 CEADMP COCC[N@@H+](C)CCCC1CC[NH+](CCF)CC1 ZINC000766975226 645942510 /nfs/dbraw/zinc/94/25/10/645942510.db2.gz NNQPVSMLURVXKL-UHFFFAOYSA-N 2 1 260.397 2.026 20 0 CEADMP Cn1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000768201109 646096912 /nfs/dbraw/zinc/09/69/12/646096912.db2.gz RXDPFRQRRIYHHF-UHFFFAOYSA-N 2 1 272.396 2.114 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000863543815 646751945 /nfs/dbraw/zinc/75/19/45/646751945.db2.gz ZROXIQCWQTUQAS-CKIKVBCHSA-N 2 1 272.483 2.096 20 0 CEADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000863542173 646752228 /nfs/dbraw/zinc/75/22/28/646752228.db2.gz SSQYONBTVOBVBS-GFCCVEGCSA-N 2 1 266.360 2.293 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C[NH2+]1 ZINC000863544864 646752896 /nfs/dbraw/zinc/75/28/96/646752896.db2.gz DACIISNYBONCLW-MLGHIDQZSA-N 2 1 272.483 2.096 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000863556082 646755208 /nfs/dbraw/zinc/75/52/08/646755208.db2.gz ANPSYWFNSDUVQZ-CQSZACIVSA-N 2 1 278.400 2.228 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC=CO2)C[C@H]1C ZINC000774904792 646907286 /nfs/dbraw/zinc/90/72/86/646907286.db2.gz WTXDQADWTYNPIK-ILXRZTDVSA-N 2 1 252.402 2.484 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCC=CO2)C[C@H]1C ZINC000774904792 646907287 /nfs/dbraw/zinc/90/72/87/646907287.db2.gz WTXDQADWTYNPIK-ILXRZTDVSA-N 2 1 252.402 2.484 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCC=CO2)C[C@H]1C ZINC000774904792 646907288 /nfs/dbraw/zinc/90/72/88/646907288.db2.gz WTXDQADWTYNPIK-ILXRZTDVSA-N 2 1 252.402 2.484 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000775360868 646945532 /nfs/dbraw/zinc/94/55/32/646945532.db2.gz AVIBJCZQQDIMJD-RDBSUJKOSA-N 2 1 286.510 2.440 20 0 CEADMP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775362054 646945657 /nfs/dbraw/zinc/94/56/57/646945657.db2.gz FAQSPFIPFXMHPM-IJLUTSLNSA-N 2 1 274.499 2.296 20 0 CEADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CCO)c1 ZINC000779395229 647318558 /nfs/dbraw/zinc/31/85/58/647318558.db2.gz MQFONXIJXWDREZ-CQSZACIVSA-N 2 1 264.413 2.387 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000120589613 647320350 /nfs/dbraw/zinc/32/03/50/647320350.db2.gz NMCRMCQCQDJFBH-INIZCTEOSA-N 2 1 296.455 2.384 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000865527899 647341822 /nfs/dbraw/zinc/34/18/22/647341822.db2.gz RXFFRZNHJIDNBU-NSHDSACASA-N 2 1 285.313 2.419 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000865527899 647341824 /nfs/dbraw/zinc/34/18/24/647341824.db2.gz RXFFRZNHJIDNBU-NSHDSACASA-N 2 1 285.313 2.419 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CC1(C)OCCO1 ZINC000865673328 647418254 /nfs/dbraw/zinc/41/82/54/647418254.db2.gz YSGXVEHMTSMOCI-KGLIPLIRSA-N 2 1 284.444 2.238 20 0 CEADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CCCC2)C1 ZINC000781922735 647571714 /nfs/dbraw/zinc/57/17/14/647571714.db2.gz KNEMHRYCIZRNBB-KRWDZBQOSA-N 2 1 274.408 2.285 20 0 CEADMP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000866341134 647745022 /nfs/dbraw/zinc/74/50/22/647745022.db2.gz VTPJIRMVFULXCZ-OAUYIBNBSA-N 2 1 292.398 2.105 20 0 CEADMP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000866341134 647745026 /nfs/dbraw/zinc/74/50/26/647745026.db2.gz VTPJIRMVFULXCZ-OAUYIBNBSA-N 2 1 292.398 2.105 20 0 CEADMP COc1ccc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000866703400 647876082 /nfs/dbraw/zinc/87/60/82/647876082.db2.gz LXVNCOUYDLPKJA-QGZVFWFLSA-N 2 1 290.407 2.068 20 0 CEADMP C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709452 647878383 /nfs/dbraw/zinc/87/83/83/647878383.db2.gz XVEYGMRYNPFBRV-WMLDXEAASA-N 2 1 295.471 2.084 20 0 CEADMP Cc1cncc([C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000866720814 647882197 /nfs/dbraw/zinc/88/21/97/647882197.db2.gz OGVDCODSAQTOES-HZPDHXFCSA-N 2 1 287.407 2.048 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000791478677 648530363 /nfs/dbraw/zinc/53/03/63/648530363.db2.gz YRYCUTSOZZJLJK-HYVNUMGLSA-N 2 1 276.424 2.382 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000791478677 648530368 /nfs/dbraw/zinc/53/03/68/648530368.db2.gz YRYCUTSOZZJLJK-HYVNUMGLSA-N 2 1 276.424 2.382 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000791478677 648530372 /nfs/dbraw/zinc/53/03/72/648530372.db2.gz YRYCUTSOZZJLJK-HYVNUMGLSA-N 2 1 276.424 2.382 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)C[C@@H](O)c2ccccc2)CC[N@@H+]1C ZINC000791473761 648530464 /nfs/dbraw/zinc/53/04/64/648530464.db2.gz PUVDDZAMMYIPAM-NUEKZKHPSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)C[C@@H](O)c2ccccc2)CC[N@H+]1C ZINC000791473761 648530467 /nfs/dbraw/zinc/53/04/67/648530467.db2.gz PUVDDZAMMYIPAM-NUEKZKHPSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)C[C@@H](O)c2ccccc2)CC[NH+]1C ZINC000791473761 648530473 /nfs/dbraw/zinc/53/04/73/648530473.db2.gz PUVDDZAMMYIPAM-NUEKZKHPSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H](O)c2ccccc2)CC[NH+]1C ZINC000791473761 648530477 /nfs/dbraw/zinc/53/04/77/648530477.db2.gz PUVDDZAMMYIPAM-NUEKZKHPSA-N 2 1 262.397 2.135 20 0 CEADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792218235 648626916 /nfs/dbraw/zinc/62/69/16/648626916.db2.gz LYWZUFUXEIYNNX-OAHLLOKOSA-N 2 1 294.439 2.277 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792218235 648626919 /nfs/dbraw/zinc/62/69/19/648626919.db2.gz LYWZUFUXEIYNNX-OAHLLOKOSA-N 2 1 294.439 2.277 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCOC(=O)c1ccc2c[nH+]cn2c1 ZINC000792545787 648652653 /nfs/dbraw/zinc/65/26/53/648652653.db2.gz HLASXQDNXJVZIN-AWEZNQCLSA-N 2 1 287.363 2.366 20 0 CEADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n(C)n1 ZINC000793526072 648770156 /nfs/dbraw/zinc/77/01/56/648770156.db2.gz WMIJAZPHKFFWOK-MJBXVCDLSA-N 2 1 262.401 2.006 20 0 CEADMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n(C)n1 ZINC000793526072 648770159 /nfs/dbraw/zinc/77/01/59/648770159.db2.gz WMIJAZPHKFFWOK-MJBXVCDLSA-N 2 1 262.401 2.006 20 0 CEADMP Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)n(C)n1 ZINC000793533157 648772284 /nfs/dbraw/zinc/77/22/84/648772284.db2.gz MQWOOZLDSJGYSG-MELADBBJSA-N 2 1 264.417 2.252 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973994 648968116 /nfs/dbraw/zinc/96/81/16/648968116.db2.gz DRYVJHKTUSRMGK-MUJYYYPQSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1ccncc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784361 649184477 /nfs/dbraw/zinc/18/44/77/649184477.db2.gz BQOPQSHAHWPGMR-LQDVMPOASA-N 2 1 288.395 2.261 20 0 CEADMP Cc1ccncc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784361 649184480 /nfs/dbraw/zinc/18/44/80/649184480.db2.gz BQOPQSHAHWPGMR-LQDVMPOASA-N 2 1 288.395 2.261 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000872128464 649286693 /nfs/dbraw/zinc/28/66/93/649286693.db2.gz RFXARZPBISZVFP-AAVRWANBSA-N 2 1 282.428 2.179 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000872128464 649286699 /nfs/dbraw/zinc/28/66/99/649286699.db2.gz RFXARZPBISZVFP-AAVRWANBSA-N 2 1 282.428 2.179 20 0 CEADMP CCC[N@@H+](C[C@H]1CC2(CO1)CCOCC2)C1CC[NH2+]CC1 ZINC000872141460 649290490 /nfs/dbraw/zinc/29/04/90/649290490.db2.gz HCTSZHUOMOXHQW-MRXNPFEDSA-N 2 1 296.455 2.036 20 0 CEADMP CC1([NH+]2CCCCC2)CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000872146058 649296213 /nfs/dbraw/zinc/29/62/13/649296213.db2.gz CYUCOOLBEVIGLX-MRXNPFEDSA-N 2 1 279.472 2.326 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153828 649297452 /nfs/dbraw/zinc/29/74/52/649297452.db2.gz ISWDFEBLAMLATF-DOTOQJQBSA-N 2 1 274.408 2.224 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153828 649297455 /nfs/dbraw/zinc/29/74/55/649297455.db2.gz ISWDFEBLAMLATF-DOTOQJQBSA-N 2 1 274.408 2.224 20 0 CEADMP C[N@H+](CCCCCC[NH3+])Cc1cn(-c2ccccc2)nn1 ZINC000872155523 649299355 /nfs/dbraw/zinc/29/93/55/649299355.db2.gz OLNBCDZDPGGEFL-UHFFFAOYSA-N 2 1 287.411 2.218 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1cn(-c2ccccc2)nn1 ZINC000872155523 649299357 /nfs/dbraw/zinc/29/93/57/649299357.db2.gz OLNBCDZDPGGEFL-UHFFFAOYSA-N 2 1 287.411 2.218 20 0 CEADMP COC(=O)[C@H](C)[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872155947 649299792 /nfs/dbraw/zinc/29/97/92/649299792.db2.gz BGROKDFNMBGYCH-GUTXKFCHSA-N 2 1 282.428 2.168 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000872276881 649339710 /nfs/dbraw/zinc/33/97/10/649339710.db2.gz SVMCNWHZDKQYJV-FPCVCCKLSA-N 2 1 295.471 2.273 20 0 CEADMP O=C1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CCN1 ZINC000873148932 649570410 /nfs/dbraw/zinc/57/04/10/649570410.db2.gz JTJCAJPSCLSKSS-HOCLYGCPSA-N 2 1 293.455 2.042 20 0 CEADMP O=C1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CCN1 ZINC000873148932 649570414 /nfs/dbraw/zinc/57/04/14/649570414.db2.gz JTJCAJPSCLSKSS-HOCLYGCPSA-N 2 1 293.455 2.042 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000873223876 649597450 /nfs/dbraw/zinc/59/74/50/649597450.db2.gz UBAVAVBFSAJBHH-ZFWWWQNUSA-N 2 1 254.418 2.110 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000873229197 649600758 /nfs/dbraw/zinc/60/07/58/649600758.db2.gz OUUFQLCKWXNSCQ-UTUOFQBUSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000873229197 649600760 /nfs/dbraw/zinc/60/07/60/649600760.db2.gz OUUFQLCKWXNSCQ-UTUOFQBUSA-N 2 1 280.334 2.028 20 0 CEADMP c1cc(CCC[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc2c1OCC2 ZINC000873231088 649602921 /nfs/dbraw/zinc/60/29/21/649602921.db2.gz GZVCBAUYEFPSOX-ZWKOTPCHSA-N 2 1 286.419 2.428 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(N)cc(F)c2)[C@@H]2CCC[C@H]21 ZINC000873289655 649628405 /nfs/dbraw/zinc/62/84/05/649628405.db2.gz WMKKPJNASAWVHX-HRCADAONSA-N 2 1 277.387 2.370 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000873296482 649632037 /nfs/dbraw/zinc/63/20/37/649632037.db2.gz GRHBAGVLJUBYHC-JYJNAYRXSA-N 2 1 296.842 2.364 20 0 CEADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[NH+](C)C ZINC000874449654 649776533 /nfs/dbraw/zinc/77/65/33/649776533.db2.gz XVQMGCPASOHDHK-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000878512097 651116860 /nfs/dbraw/zinc/11/68/60/651116860.db2.gz LAXXKZAGYKHORU-JKSUJKDBSA-N 2 1 296.455 2.131 20 0 CEADMP Cc1oncc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878746835 651178425 /nfs/dbraw/zinc/17/84/25/651178425.db2.gz GTBMVAQSEPKFMP-UHFFFAOYSA-N 2 1 272.352 2.090 20 0 CEADMP COc1cccc(OCC[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879578740 651325798 /nfs/dbraw/zinc/32/57/98/651325798.db2.gz VQIJKUNZFBKKMJ-YOEHRIQHSA-N 2 1 290.407 2.100 20 0 CEADMP COc1cccc(OCC[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879578740 651325799 /nfs/dbraw/zinc/32/57/99/651325799.db2.gz VQIJKUNZFBKKMJ-YOEHRIQHSA-N 2 1 290.407 2.100 20 0 CEADMP COc1cccc(OCC[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000879578740 651325801 /nfs/dbraw/zinc/32/58/01/651325801.db2.gz VQIJKUNZFBKKMJ-YOEHRIQHSA-N 2 1 290.407 2.100 20 0 CEADMP COc1cccc(OCC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000879578740 651325804 /nfs/dbraw/zinc/32/58/04/651325804.db2.gz VQIJKUNZFBKKMJ-YOEHRIQHSA-N 2 1 290.407 2.100 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879582315 651327337 /nfs/dbraw/zinc/32/73/37/651327337.db2.gz RKYWLKGOMFBNKW-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879582315 651327338 /nfs/dbraw/zinc/32/73/38/651327338.db2.gz RKYWLKGOMFBNKW-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879582315 651327340 /nfs/dbraw/zinc/32/73/40/651327340.db2.gz RKYWLKGOMFBNKW-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879582315 651327343 /nfs/dbraw/zinc/32/73/43/651327343.db2.gz RKYWLKGOMFBNKW-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP CCC(O)(CC)C(C)(C)[NH2+]CCCc1c[nH+]cn1C ZINC000879699115 651340905 /nfs/dbraw/zinc/34/09/05/651340905.db2.gz HTUWNRIHXOXVFE-UHFFFAOYSA-N 2 1 267.417 2.272 20 0 CEADMP CC(C)C[N@@H+](CCC[C@@H](C)O)CC1CC[NH+](C)CC1 ZINC000879703421 651341684 /nfs/dbraw/zinc/34/16/84/651341684.db2.gz LZBUQRNFXMXZFV-OAHLLOKOSA-N 2 1 270.461 2.447 20 0 CEADMP C[C@@H](O)CCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950909 651364444 /nfs/dbraw/zinc/36/44/44/651364444.db2.gz DCFUTHYXYSXPMT-OAHLLOKOSA-N 2 1 268.445 2.488 20 0 CEADMP Cc1cnc([C@H](C)[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cn1 ZINC000880258583 651411308 /nfs/dbraw/zinc/41/13/08/651411308.db2.gz ISEBKQQNYKKVCX-GJZGRUSLSA-N 2 1 297.406 2.452 20 0 CEADMP Cc1cnc([C@H](C)[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cn1 ZINC000880258583 651411309 /nfs/dbraw/zinc/41/13/09/651411309.db2.gz ISEBKQQNYKKVCX-GJZGRUSLSA-N 2 1 297.406 2.452 20 0 CEADMP CCOC1CC(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC000880261281 651412291 /nfs/dbraw/zinc/41/22/91/651412291.db2.gz UGNXBLQUWXHOKQ-UQPPLGOBSA-N 2 1 289.423 2.407 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319911 651424236 /nfs/dbraw/zinc/42/42/36/651424236.db2.gz AXKOUWRYVQMHBY-GFCCVEGCSA-N 2 1 276.409 2.299 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319911 651424237 /nfs/dbraw/zinc/42/42/37/651424237.db2.gz AXKOUWRYVQMHBY-GFCCVEGCSA-N 2 1 276.409 2.299 20 0 CEADMP COC(=O)/C(C)=C/C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880516981 651454335 /nfs/dbraw/zinc/45/43/35/651454335.db2.gz HDIMFPHOCQOIOP-OQLLNIDSSA-N 2 1 282.428 2.304 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(Cl)c1N ZINC000882941038 652279038 /nfs/dbraw/zinc/27/90/38/652279038.db2.gz HBPOKBANDQGSOX-JTQLQIEISA-N 2 1 255.793 2.352 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000882984990 652304754 /nfs/dbraw/zinc/30/47/54/652304754.db2.gz BIELHDAOPXNODZ-BJWYYQGGSA-N 2 1 279.472 2.182 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883186777 652393170 /nfs/dbraw/zinc/39/31/70/652393170.db2.gz YXJVHAPMNARELK-INIZCTEOSA-N 2 1 279.472 2.326 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC3(CC3)C2)CCOCC1 ZINC000883189688 652394168 /nfs/dbraw/zinc/39/41/68/652394168.db2.gz MUTWIGPETSAXPZ-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(CCOCC2)CO1 ZINC000883416210 652461499 /nfs/dbraw/zinc/46/14/99/652461499.db2.gz PFFNDNLNVFWDII-ARFHVFGLSA-N 2 1 296.455 2.164 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@H]1CCC2(CCOCC2)CO1 ZINC000883416210 652461501 /nfs/dbraw/zinc/46/15/01/652461501.db2.gz PFFNDNLNVFWDII-ARFHVFGLSA-N 2 1 296.455 2.164 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](CCc2ccccc2Br)C1 ZINC000883416721 652462342 /nfs/dbraw/zinc/46/23/42/652462342.db2.gz CIGKMFLTAOVIPE-NSHDSACASA-N 2 1 283.213 2.272 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCc2ccccc2Br)C1 ZINC000883416721 652462344 /nfs/dbraw/zinc/46/23/44/652462344.db2.gz CIGKMFLTAOVIPE-NSHDSACASA-N 2 1 283.213 2.272 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CCC2(CCOCC2)O1 ZINC000883424552 652465494 /nfs/dbraw/zinc/46/54/94/652465494.db2.gz WJTVWDLZRUVPNB-UYTSQGDYSA-N 2 1 294.439 2.059 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000883427385 652466085 /nfs/dbraw/zinc/46/60/85/652466085.db2.gz QEBBSEXFPJSXTA-JKSUJKDBSA-N 2 1 296.455 2.023 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)[C@@H]1CC[NH3+] ZINC000883435063 652469028 /nfs/dbraw/zinc/46/90/28/652469028.db2.gz JQEVDWSSDSEBJH-OWCLPIDISA-N 2 1 296.455 2.164 20 0 CEADMP c1ccc2c(c1)C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@H]1CCCN21 ZINC000883462717 652478159 /nfs/dbraw/zinc/47/81/59/652478159.db2.gz YCAUTKOJTKCHKK-GOEBONIOSA-N 2 1 271.408 2.081 20 0 CEADMP C[NH2+]CCC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000883462002 652478304 /nfs/dbraw/zinc/47/83/04/652478304.db2.gz HVMSNCMBCJKUOE-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCSC(F)(F)F)CC[N@H+]1C ZINC000132462941 652522730 /nfs/dbraw/zinc/52/27/30/652522730.db2.gz FASPBWUSEVUQQV-IUCAKERBSA-N 2 1 256.337 2.312 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)cc(OC)c2OC)C1 ZINC000885924674 653069709 /nfs/dbraw/zinc/06/97/09/653069709.db2.gz UMBILSOERCSBEM-AWEZNQCLSA-N 2 1 292.423 2.444 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)cc(OC)c2OC)C1 ZINC000885924674 653069710 /nfs/dbraw/zinc/06/97/10/653069710.db2.gz UMBILSOERCSBEM-AWEZNQCLSA-N 2 1 292.423 2.444 20 0 CEADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncccc1C[NH+]1CCCC1 ZINC001164635807 719254224 /nfs/dbraw/zinc/25/42/24/719254224.db2.gz QNWURWHLQNDCDG-GJZGRUSLSA-N 2 1 288.439 2.206 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ncccc1C[NH+]1CCCC1 ZINC001164635810 719254247 /nfs/dbraw/zinc/25/42/47/719254247.db2.gz QNWURWHLQNDCDG-HUUCEWRRSA-N 2 1 288.439 2.206 20 0 CEADMP CC[N@H+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H](C)C1 ZINC001168005533 805658351 /nfs/dbraw/zinc/65/83/51/805658351.db2.gz JIJWPDAXRQOLRT-NAZJXLNTSA-N 2 1 291.483 2.418 20 0 CEADMP CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@H](C)C1 ZINC001168005533 805658356 /nfs/dbraw/zinc/65/83/56/805658356.db2.gz JIJWPDAXRQOLRT-NAZJXLNTSA-N 2 1 291.483 2.418 20 0 CEADMP CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H](C)C1 ZINC001168005533 805658359 /nfs/dbraw/zinc/65/83/59/805658359.db2.gz JIJWPDAXRQOLRT-NAZJXLNTSA-N 2 1 291.483 2.418 20 0 CEADMP COC[C@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000696592797 805673446 /nfs/dbraw/zinc/67/34/46/805673446.db2.gz YZHIHUHXRDGCIN-JALIKCBVSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H](C[NH2+]CCCC1CCC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001270920790 805688407 /nfs/dbraw/zinc/68/84/07/805688407.db2.gz ATUSJBDMQVFMHW-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001271102730 805740824 /nfs/dbraw/zinc/74/08/24/805740824.db2.gz RVQGGNBELTYHLV-OAHLLOKOSA-N 2 1 297.487 2.367 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC[N@H+]1CC ZINC001087602408 805760374 /nfs/dbraw/zinc/76/03/74/805760374.db2.gz OGXARTPQEIJRPS-HRCADAONSA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC[NH+]1CC ZINC001087602408 805760380 /nfs/dbraw/zinc/76/03/80/805760380.db2.gz OGXARTPQEIJRPS-HRCADAONSA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC[NH+]1CC ZINC001087602408 805760384 /nfs/dbraw/zinc/76/03/84/805760384.db2.gz OGXARTPQEIJRPS-HRCADAONSA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC=C(C)C ZINC001087828978 805806186 /nfs/dbraw/zinc/80/61/86/805806186.db2.gz BZAKKMOKOALLHO-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC=C(C)C ZINC001087828978 805806194 /nfs/dbraw/zinc/80/61/94/805806194.db2.gz BZAKKMOKOALLHO-JKSUJKDBSA-N 2 1 293.455 2.018 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]CCC(C)C)CC1 ZINC001203442392 805813680 /nfs/dbraw/zinc/81/36/80/805813680.db2.gz JTWOJNPKCNFNGF-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc(C[NH3+])cn2)nc1 ZINC001168256826 806446954 /nfs/dbraw/zinc/44/69/54/806446954.db2.gz HQYNXZNTKDBWAY-CYBMUJFWSA-N 2 1 285.395 2.100 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC001168313427 806647350 /nfs/dbraw/zinc/64/73/50/806647350.db2.gz CNKCMVVIGOHSHA-UYSNPLJNSA-N 2 1 266.429 2.362 20 0 CEADMP Cc1ncc(C[N@H+](C)C2CCC([NH+](C)C)CC2)cn1 ZINC001168328172 806658135 /nfs/dbraw/zinc/65/81/35/806658135.db2.gz YKRVQNQAENYVTK-UHFFFAOYSA-N 2 1 262.401 2.090 20 0 CEADMP FC(F)(F)SCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159901323 806843700 /nfs/dbraw/zinc/84/37/00/806843700.db2.gz COPHXZGNIPVRGN-NXEZZACHSA-N 2 1 268.348 2.456 20 0 CEADMP CC(C)O[C@@H]1CC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208108300 802339771 /nfs/dbraw/zinc/33/97/71/802339771.db2.gz DHMXCTZNOVDQDJ-CQSZACIVSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+](C)CC1(C[N@H+]2CC[C@H]3OCC[C@H]3C2)CCCC1 ZINC001208185655 802378334 /nfs/dbraw/zinc/37/83/34/802378334.db2.gz HIJHCNXAHQEEFN-LSDHHAIUSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2Cc2ccccn2)C1 ZINC001208608304 802389039 /nfs/dbraw/zinc/38/90/39/802389039.db2.gz GXFNWKSHGOWYEF-DOTOQJQBSA-N 2 1 273.424 2.430 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]2Cc2ccccn2)C1 ZINC001208608304 802389047 /nfs/dbraw/zinc/38/90/47/802389047.db2.gz GXFNWKSHGOWYEF-DOTOQJQBSA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]2Cc2ccccn2)C1 ZINC001208608304 802389055 /nfs/dbraw/zinc/38/90/55/802389055.db2.gz GXFNWKSHGOWYEF-DOTOQJQBSA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@H]2Cc2ccccn2)C1 ZINC001208608304 802389064 /nfs/dbraw/zinc/38/90/64/802389064.db2.gz GXFNWKSHGOWYEF-DOTOQJQBSA-N 2 1 273.424 2.430 20 0 CEADMP C[N@H+]1CCC[C@@H](CN2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001208613994 802392115 /nfs/dbraw/zinc/39/21/15/802392115.db2.gz BSVWWFOPJUKOQZ-MRXNPFEDSA-N 2 1 279.472 2.279 20 0 CEADMP CC1=CC[C@@H](CC[N@@H+]2CCO[C@@H](C[NH3+])C2)C1(C)C ZINC001210399939 802679013 /nfs/dbraw/zinc/67/90/13/802679013.db2.gz NGXGMEFGOTTWCQ-KBPBESRZSA-N 2 1 252.402 2.028 20 0 CEADMP CC1=CC[C@@H](CC[N@H+]2CCO[C@@H](C[NH3+])C2)C1(C)C ZINC001210399939 802679016 /nfs/dbraw/zinc/67/90/16/802679016.db2.gz NGXGMEFGOTTWCQ-KBPBESRZSA-N 2 1 252.402 2.028 20 0 CEADMP C[N@@H+](C[C@@H]1CC[C@H](C(F)(F)F)O1)CC(C)(C)C[NH3+] ZINC000721445555 802776665 /nfs/dbraw/zinc/77/66/65/802776665.db2.gz PIDQFYGEHHUBGM-VHSXEESVSA-N 2 1 268.323 2.013 20 0 CEADMP CC[NH+]1CCC(N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000398289795 802821456 /nfs/dbraw/zinc/82/14/56/802821456.db2.gz FUAARGBHSJZUTC-BWTSREIZSA-N 2 1 299.462 2.191 20 0 CEADMP CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266807616 802912218 /nfs/dbraw/zinc/91/22/18/802912218.db2.gz OTTBGAKJCZWSQS-HNNXBMFYSA-N 2 1 297.487 2.203 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000723697633 802925873 /nfs/dbraw/zinc/92/58/73/802925873.db2.gz BTNSICSYVPGBIC-LLVKDONJSA-N 2 1 296.798 2.282 20 0 CEADMP CCC[N@H+]1CCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001266855369 802945481 /nfs/dbraw/zinc/94/54/81/802945481.db2.gz BENAVKHEBVNPKE-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc(-c3cccs3)no2)C[C@H]1CC[NH3+] ZINC000723891323 802964762 /nfs/dbraw/zinc/96/47/62/802964762.db2.gz NDJDIESJYVBZFL-GHMZBOCLSA-N 2 1 292.408 2.215 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(OC)c1 ZINC000723887485 802964960 /nfs/dbraw/zinc/96/49/60/802964960.db2.gz NUWMBHSMVITPKA-CHWSQXEVSA-N 2 1 278.396 2.121 20 0 CEADMP CCCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266894004 802974775 /nfs/dbraw/zinc/97/47/75/802974775.db2.gz FWZDXJTVFFTFGM-CVEARBPZSA-N 2 1 297.487 2.345 20 0 CEADMP CC(C)=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001266909961 802988919 /nfs/dbraw/zinc/98/89/19/802988919.db2.gz MACHOOFTCAKLBA-GPANFISMSA-N 2 1 293.455 2.064 20 0 CEADMP C[N@@H+](CCC[NH2+]C[C@H]1COC(C)(C)O1)C1CCCCC1 ZINC000715141426 814937057 /nfs/dbraw/zinc/93/70/57/814937057.db2.gz RAOZPVOIMTVRFH-HNNXBMFYSA-N 2 1 284.444 2.382 20 0 CEADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCCC(C)(C)C ZINC001133823365 813159485 /nfs/dbraw/zinc/15/94/85/813159485.db2.gz DDUXQEAKKGBXAN-CQSZACIVSA-N 2 1 283.460 2.003 20 0 CEADMP CCCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267128951 803151051 /nfs/dbraw/zinc/15/10/51/803151051.db2.gz FXBJFZNUHLCCIV-RBSFLKMASA-N 2 1 283.460 2.001 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C2CCC(F)(F)CC2)CCC1(F)F ZINC001246560027 814044731 /nfs/dbraw/zinc/04/47/31/814044731.db2.gz OVLKUVQWOSVLCN-SECBINFHSA-N 2 1 268.298 2.480 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)C12CCC2 ZINC000405352056 803369595 /nfs/dbraw/zinc/36/95/95/803369595.db2.gz OSPMWGZVDVTNMY-STQMWFEESA-N 2 1 252.308 2.324 20 0 CEADMP COc1ccccc1C[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708844759 803565906 /nfs/dbraw/zinc/56/59/06/803565906.db2.gz JWZHXDHMTAGTDS-KCQAQPDRSA-N 2 1 262.397 2.153 20 0 CEADMP CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207438037 803611319 /nfs/dbraw/zinc/61/13/19/803611319.db2.gz RWYQLZYPLYWZNC-AWEZNQCLSA-N 2 1 282.428 2.182 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC000724923607 803671402 /nfs/dbraw/zinc/67/14/02/803671402.db2.gz FUNZBQJNPMCXQW-ZIAGYGMSSA-N 2 1 297.443 2.070 20 0 CEADMP CC[N@@H+]1CC=C(c2cnc(NCC[NH2+]C)c(C)c2)CC1 ZINC001167723477 803672433 /nfs/dbraw/zinc/67/24/33/803672433.db2.gz XCAMTTLWOHSFRI-UHFFFAOYSA-N 2 1 274.412 2.130 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715479165 814959388 /nfs/dbraw/zinc/95/93/88/814959388.db2.gz GFNSQNBMTMLFJT-MYPMTAMASA-N 2 1 252.402 2.003 20 0 CEADMP C[NH+]1CCC(CC[N@H+]2CCc3cc(CO)ccc3C2)CC1 ZINC001207479428 803733037 /nfs/dbraw/zinc/73/30/37/803733037.db2.gz IRTUGFMBUXPEOH-UHFFFAOYSA-N 2 1 288.435 2.269 20 0 CEADMP CCC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001267858228 803781178 /nfs/dbraw/zinc/78/11/78/803781178.db2.gz OTMAIASBLNQFNL-ZQIUZPCESA-N 2 1 295.471 2.001 20 0 CEADMP C[NH+]1CCC(CCN2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001207483154 803781859 /nfs/dbraw/zinc/78/18/59/803781859.db2.gz UIOHWEXZRWJSNJ-UHFFFAOYSA-N 2 1 291.483 2.136 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715518306 814971635 /nfs/dbraw/zinc/97/16/35/814971635.db2.gz JSWQACMVJWAJII-KKUMJFAQSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CCC1CCCC1 ZINC001267997900 803896149 /nfs/dbraw/zinc/89/61/49/803896149.db2.gz GTZUSEWFQUWDKA-GDBMZVCRSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@@H+](CC[C@@H]1CC1(Cl)Cl)C1CC[NH2+]CC1 ZINC000399251821 804355932 /nfs/dbraw/zinc/35/59/32/804355932.db2.gz KHXSJYUKMPIYOP-SECBINFHSA-N 2 1 251.201 2.254 20 0 CEADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2C)C1 ZINC001118410877 815012521 /nfs/dbraw/zinc/01/25/21/815012521.db2.gz LMNGYWLIBJFHCK-CYBMUJFWSA-N 2 1 260.385 2.273 20 0 CEADMP ClC1(Cl)C[C@@H]1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000399441196 804368982 /nfs/dbraw/zinc/36/89/82/804368982.db2.gz WBJMYAPQSVLZPN-DCAQKATOSA-N 2 1 263.212 2.254 20 0 CEADMP ClC1(Cl)C[C@@H]1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000399441196 804368989 /nfs/dbraw/zinc/36/89/89/804368989.db2.gz WBJMYAPQSVLZPN-DCAQKATOSA-N 2 1 263.212 2.254 20 0 CEADMP CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268069287 804374661 /nfs/dbraw/zinc/37/46/61/804374661.db2.gz VPSASEXFFNWXQX-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC001167824078 804377332 /nfs/dbraw/zinc/37/73/32/804377332.db2.gz BWDWMGSVHGMEOA-HOCLYGCPSA-N 2 1 283.460 2.097 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccns1 ZINC000716025351 815014921 /nfs/dbraw/zinc/01/49/21/815014921.db2.gz YODLRRNROSDBNZ-JTQLQIEISA-N 2 1 250.371 2.389 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001167833437 804410139 /nfs/dbraw/zinc/41/01/39/804410139.db2.gz BEWNUUULJZQEEQ-GOEBONIOSA-N 2 1 297.443 2.071 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccns1 ZINC000716025354 815015639 /nfs/dbraw/zinc/01/56/39/815015639.db2.gz YODLRRNROSDBNZ-SNVBAGLBSA-N 2 1 250.371 2.389 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001167835904 804427703 /nfs/dbraw/zinc/42/77/03/804427703.db2.gz VVIYSLQQARYOBI-ZACQAIPSSA-N 3 1 281.488 2.380 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001167835904 804427709 /nfs/dbraw/zinc/42/77/09/804427709.db2.gz VVIYSLQQARYOBI-ZACQAIPSSA-N 3 1 281.488 2.380 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001167835904 804427714 /nfs/dbraw/zinc/42/77/14/804427714.db2.gz VVIYSLQQARYOBI-ZACQAIPSSA-N 3 1 281.488 2.380 20 0 CEADMP CCN1C[C@@H]2C[N@H+]([C@H](C)CCC[NH+](CC)CC)C[C@@H]2C1 ZINC001167835904 804427718 /nfs/dbraw/zinc/42/77/18/804427718.db2.gz VVIYSLQQARYOBI-ZACQAIPSSA-N 2 1 281.488 2.380 20 0 CEADMP CCN1C[C@@H]2C[N@@H+]([C@H](C)CCC[NH+](CC)CC)C[C@@H]2C1 ZINC001167835904 804427725 /nfs/dbraw/zinc/42/77/25/804427725.db2.gz VVIYSLQQARYOBI-ZACQAIPSSA-N 2 1 281.488 2.380 20 0 CEADMP CCCCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001167835654 804428143 /nfs/dbraw/zinc/42/81/43/804428143.db2.gz KICPELUQRUYROH-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001167838484 804431933 /nfs/dbraw/zinc/43/19/33/804431933.db2.gz VMGRLMWHJYKAPH-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001167840374 804438052 /nfs/dbraw/zinc/43/80/52/804438052.db2.gz FWQLIQAYWVGLIQ-BRWVUGGUSA-N 3 1 281.488 2.380 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2C[C@@]2(CN(C)C)C1 ZINC001167840374 804438054 /nfs/dbraw/zinc/43/80/54/804438054.db2.gz FWQLIQAYWVGLIQ-BRWVUGGUSA-N 2 1 281.488 2.380 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@H]2C[C@@]2(CN(C)C)C1 ZINC001167840374 804438058 /nfs/dbraw/zinc/43/80/58/804438058.db2.gz FWQLIQAYWVGLIQ-BRWVUGGUSA-N 2 1 281.488 2.380 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001167841325 804443043 /nfs/dbraw/zinc/44/30/43/804443043.db2.gz KMNCMFNAUVYSRI-HRCADAONSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C ZINC001167841325 804443046 /nfs/dbraw/zinc/44/30/46/804443046.db2.gz KMNCMFNAUVYSRI-HRCADAONSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C ZINC001167841325 804443052 /nfs/dbraw/zinc/44/30/52/804443052.db2.gz KMNCMFNAUVYSRI-HRCADAONSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](COC)C1 ZINC001167841669 804445832 /nfs/dbraw/zinc/44/58/32/804445832.db2.gz NWNQJWGBFHAZHF-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001028097861 804454199 /nfs/dbraw/zinc/45/41/99/804454199.db2.gz HGIXANSCIKESDY-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028097861 804454202 /nfs/dbraw/zinc/45/42/02/804454202.db2.gz HGIXANSCIKESDY-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001028097861 804454203 /nfs/dbraw/zinc/45/42/03/804454203.db2.gz HGIXANSCIKESDY-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001268180123 804529104 /nfs/dbraw/zinc/52/91/04/804529104.db2.gz LYKNGMDQQBKKPW-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC ZINC001028254012 804622115 /nfs/dbraw/zinc/62/21/15/804622115.db2.gz LDEGRSXFBGRMRR-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207684931 804666927 /nfs/dbraw/zinc/66/69/27/804666927.db2.gz VQUOOCXUUNDFRC-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H](C[NH2+]CCCC(C)(C)C)NC(=O)CCc1cnc[nH]1 ZINC001268688524 804929503 /nfs/dbraw/zinc/92/95/03/804929503.db2.gz CRDHVAABBZXYFK-ZDUSSCGKSA-N 2 1 294.443 2.263 20 0 CEADMP CCOC(CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)OCC ZINC001118805457 815046477 /nfs/dbraw/zinc/04/64/77/815046477.db2.gz ZNHALGPBMVBWBU-ZDUSSCGKSA-N 2 1 272.433 2.238 20 0 CEADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001168387847 807046879 /nfs/dbraw/zinc/04/68/79/807046879.db2.gz VZMNATVXWRRJND-XJKSGUPXSA-N 2 1 294.439 2.134 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001038409050 805279453 /nfs/dbraw/zinc/27/94/53/805279453.db2.gz MFTUSPKCAFZTTG-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001038409050 805279463 /nfs/dbraw/zinc/27/94/63/805279463.db2.gz MFTUSPKCAFZTTG-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038409050 805279473 /nfs/dbraw/zinc/27/94/73/805279473.db2.gz MFTUSPKCAFZTTG-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001038409050 805279480 /nfs/dbraw/zinc/27/94/80/805279480.db2.gz MFTUSPKCAFZTTG-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000228511843 805295252 /nfs/dbraw/zinc/29/52/52/805295252.db2.gz LZEPPDRRNQTRST-UONOGXRCSA-N 2 1 283.460 2.131 20 0 CEADMP CC[C@H](C)[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961635 805358972 /nfs/dbraw/zinc/35/89/72/805358972.db2.gz MFPWJHVMXFGCRE-CJFPBWAHSA-N 2 1 280.456 2.388 20 0 CEADMP c1ccn(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167964022 805443128 /nfs/dbraw/zinc/44/31/28/805443128.db2.gz KUVABFXCIVWSPB-ALOPSCKCSA-N 2 1 273.424 2.483 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000300072913 805488777 /nfs/dbraw/zinc/48/87/77/805488777.db2.gz XPIRBQITTMJVKU-NWANDNLSSA-N 2 1 254.418 2.129 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@H](O)CC1CCCC1 ZINC000300072913 805488779 /nfs/dbraw/zinc/48/87/79/805488779.db2.gz XPIRBQITTMJVKU-NWANDNLSSA-N 2 1 254.418 2.129 20 0 CEADMP CC1([NH3+])CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167971262 805498226 /nfs/dbraw/zinc/49/82/26/805498226.db2.gz VOPJZSYABFWPEC-XYPWUTKMSA-N 2 1 277.456 2.205 20 0 CEADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1O ZINC001167984283 805528543 /nfs/dbraw/zinc/52/85/43/805528543.db2.gz MOVRRYNQVJJFOS-HYLRJUEESA-N 2 1 278.440 2.095 20 0 CEADMP CO[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167985497 805541795 /nfs/dbraw/zinc/54/17/95/805541795.db2.gz WXDRGTBOROOIQD-QXULXFAOSA-N 2 1 264.413 2.113 20 0 CEADMP CO[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167985497 805541800 /nfs/dbraw/zinc/54/18/00/805541800.db2.gz WXDRGTBOROOIQD-QXULXFAOSA-N 2 1 264.413 2.113 20 0 CEADMP CO[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167985497 805541805 /nfs/dbraw/zinc/54/18/05/805541805.db2.gz WXDRGTBOROOIQD-QXULXFAOSA-N 2 1 264.413 2.113 20 0 CEADMP CO[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167985498 805542174 /nfs/dbraw/zinc/54/21/74/805542174.db2.gz WXDRGTBOROOIQD-VFSICIBPSA-N 2 1 264.413 2.113 20 0 CEADMP CO[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167985498 805542181 /nfs/dbraw/zinc/54/21/81/805542181.db2.gz WXDRGTBOROOIQD-VFSICIBPSA-N 2 1 264.413 2.113 20 0 CEADMP CO[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167985498 805542186 /nfs/dbraw/zinc/54/21/86/805542186.db2.gz WXDRGTBOROOIQD-VFSICIBPSA-N 2 1 264.413 2.113 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167987099 805553514 /nfs/dbraw/zinc/55/35/14/805553514.db2.gz KEMVRFFNTNTGKE-PJFKJEBRSA-N 2 1 291.483 2.416 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167987099 805553515 /nfs/dbraw/zinc/55/35/15/805553515.db2.gz KEMVRFFNTNTGKE-PJFKJEBRSA-N 2 1 291.483 2.416 20 0 CEADMP CCC[N@@H+]1C[C@H]2CN(C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC001168394741 807072651 /nfs/dbraw/zinc/07/26/51/807072651.db2.gz FOJMKEIQJCUPCQ-CALCHBBNSA-N 2 1 291.483 2.134 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+](C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001168394741 807072658 /nfs/dbraw/zinc/07/26/58/807072658.db2.gz FOJMKEIQJCUPCQ-CALCHBBNSA-N 3 1 291.483 2.134 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001168394741 807072665 /nfs/dbraw/zinc/07/26/65/807072665.db2.gz FOJMKEIQJCUPCQ-CALCHBBNSA-N 3 1 291.483 2.134 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001168394741 807072671 /nfs/dbraw/zinc/07/26/71/807072671.db2.gz FOJMKEIQJCUPCQ-CALCHBBNSA-N 3 1 291.483 2.134 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001168394741 807072675 /nfs/dbraw/zinc/07/26/75/807072675.db2.gz FOJMKEIQJCUPCQ-CALCHBBNSA-N 3 1 291.483 2.134 20 0 CEADMP Fc1cccc2c1CC[C@H]([N@@H+]1CCc3nccn3CC1)C2 ZINC001171438484 815086937 /nfs/dbraw/zinc/08/69/37/815086937.db2.gz SHPFSDNNUSGWSR-AWEZNQCLSA-N 2 1 285.366 2.438 20 0 CEADMP Fc1cccc2c1CC[C@H]([N@@H+]1CCc3[nH+]ccn3CC1)C2 ZINC001171438484 815086946 /nfs/dbraw/zinc/08/69/46/815086946.db2.gz SHPFSDNNUSGWSR-AWEZNQCLSA-N 2 1 285.366 2.438 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168399497 807085345 /nfs/dbraw/zinc/08/53/45/807085345.db2.gz BQXBLPGQOHQHNC-LRDDRELGSA-N 2 1 262.372 2.224 20 0 CEADMP CCn1nc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c2ccccc21 ZINC000229092030 807235660 /nfs/dbraw/zinc/23/56/60/807235660.db2.gz HYMNYQQFDMPBPD-KBPBESRZSA-N 2 1 286.423 2.473 20 0 CEADMP CCn1nc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c2ccccc21 ZINC000229092030 807235663 /nfs/dbraw/zinc/23/56/63/807235663.db2.gz HYMNYQQFDMPBPD-KBPBESRZSA-N 2 1 286.423 2.473 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCC3(CCC3)CO1)C2 ZINC000716268709 815108813 /nfs/dbraw/zinc/10/88/13/815108813.db2.gz YPBURAZMZRWVQG-ZQDZILKHSA-N 2 1 264.413 2.147 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716303900 815112576 /nfs/dbraw/zinc/11/25/76/815112576.db2.gz XHPBRHCXMRYKNL-IHRRRGAJSA-N 2 1 252.402 2.005 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCC3(CCC3)CO1)C2 ZINC000716313826 815113197 /nfs/dbraw/zinc/11/31/97/815113197.db2.gz YRVKWGVIKPUFPL-ZOBUZTSGSA-N 2 1 278.440 2.397 20 0 CEADMP Cn1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c2ccccc21 ZINC001205094176 807577008 /nfs/dbraw/zinc/57/70/08/807577008.db2.gz JYZJUNODKHEVME-AWEZNQCLSA-N 2 1 257.381 2.492 20 0 CEADMP C[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716709656 815142974 /nfs/dbraw/zinc/14/29/74/815142974.db2.gz BYQDUUKUNUQGRM-XBVQOTNRSA-N 2 1 274.408 2.010 20 0 CEADMP CCc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)on1 ZINC001203226142 807741949 /nfs/dbraw/zinc/74/19/49/807741949.db2.gz FEPZCWFNAXVVNM-UHFFFAOYSA-N 2 1 263.385 2.155 20 0 CEADMP C[C@@H](CCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716727923 815144332 /nfs/dbraw/zinc/14/43/32/815144332.db2.gz NLJAKZDVQWUZOZ-OWLYRPNTSA-N 2 1 288.435 2.400 20 0 CEADMP C[NH+](C)C1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000715254423 807828254 /nfs/dbraw/zinc/82/82/54/807828254.db2.gz GLJSHWXLDNQTOY-QLQQRZLESA-N 3 1 279.472 2.464 20 0 CEADMP C[NH+](C)C1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000715254423 807828264 /nfs/dbraw/zinc/82/82/64/807828264.db2.gz GLJSHWXLDNQTOY-QLQQRZLESA-N 3 1 279.472 2.464 20 0 CEADMP CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106840053 807887531 /nfs/dbraw/zinc/88/75/31/807887531.db2.gz WCYBKSOEHKQUQF-BZUAXINKSA-N 2 1 297.487 2.058 20 0 CEADMP Fc1ccnc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320101 808065900 /nfs/dbraw/zinc/06/59/00/808065900.db2.gz BISWOJBRZOOTHG-PHIMTYICSA-N 2 1 283.778 2.306 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000070189886 808188128 /nfs/dbraw/zinc/18/81/28/808188128.db2.gz QXXQUVWQMZSTNC-UHFFFAOYSA-N 2 1 251.374 2.113 20 0 CEADMP CCCCC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001127679662 808188907 /nfs/dbraw/zinc/18/89/07/808188907.db2.gz NQAJOHXIJHOIIZ-AWEZNQCLSA-N 2 1 294.443 2.293 20 0 CEADMP CC(C)=CCC[C@H](C)CCN1C[C@@H]([NH3+])C2(COC2)C1 ZINC001237175987 808200813 /nfs/dbraw/zinc/20/08/13/808200813.db2.gz OKYMKWSCLFOAML-LSDHHAIUSA-N 2 1 266.429 2.419 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001171645721 815207214 /nfs/dbraw/zinc/20/72/14/815207214.db2.gz AEJLIRAWCFLSGT-CVEARBPZSA-N 2 1 297.487 2.391 20 0 CEADMP COC(=O)[C@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC001171640795 815215191 /nfs/dbraw/zinc/21/51/91/815215191.db2.gz JIFDOSLRMHNERD-JSGCOSHPSA-N 2 1 296.455 2.379 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)ccc2F)CC1 ZINC001205210490 808562704 /nfs/dbraw/zinc/56/27/04/808562704.db2.gz OJUVTRAOCYAJHU-AWEZNQCLSA-N 2 1 286.778 2.155 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@@H+](CCCc2ccc(Cl)cc2)CC1 ZINC001205212416 808576268 /nfs/dbraw/zinc/57/62/68/808576268.db2.gz ZSBSQZTZZNZJGP-INIZCTEOSA-N 2 1 296.842 2.448 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+]2CC)C1 ZINC001120449527 815223003 /nfs/dbraw/zinc/22/30/03/815223003.db2.gz NSZCKPCUOGZQOV-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC)C1 ZINC001120449527 815223009 /nfs/dbraw/zinc/22/30/09/815223009.db2.gz NSZCKPCUOGZQOV-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC)C1 ZINC001120449527 815223013 /nfs/dbraw/zinc/22/30/13/815223013.db2.gz NSZCKPCUOGZQOV-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[C@H](N2CC(C)([NH+](C)C)C2)C[N@H+]1Cc1ccccc1 ZINC001171763466 815227797 /nfs/dbraw/zinc/22/77/97/815227797.db2.gz PIVMZJDFBWOLEC-WBVHZDCISA-N 2 1 287.451 2.285 20 0 CEADMP C[C@H]1C[C@H](N2CC([NH+]3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171763784 815229039 /nfs/dbraw/zinc/22/90/39/815229039.db2.gz QUPXIUSQCZTWDY-WMZOPIPTSA-N 2 1 299.462 2.429 20 0 CEADMP CC(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998764408 808763289 /nfs/dbraw/zinc/76/32/89/808763289.db2.gz RFSQXDXMCPZFLF-GPANFISMSA-N 2 1 295.471 2.094 20 0 CEADMP CC[C@H](C[NH2+][C@H]1C[C@H](OC)C12CCC2)[NH+]1CCCC1 ZINC000453083063 809035258 /nfs/dbraw/zinc/03/52/58/809035258.db2.gz MUJUXPMMYHHPEB-ILXRZTDVSA-N 2 1 266.429 2.408 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC001171948403 815258165 /nfs/dbraw/zinc/25/81/65/815258165.db2.gz IATUWLJUKGJIOI-UJEKJILKSA-N 2 1 296.455 2.428 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC001171948403 815258167 /nfs/dbraw/zinc/25/81/67/815258167.db2.gz IATUWLJUKGJIOI-UJEKJILKSA-N 2 1 296.455 2.428 20 0 CEADMP CC1([NH3+])CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171981238 815265576 /nfs/dbraw/zinc/26/55/76/815265576.db2.gz ZWUSDONBILPOSH-MRXNPFEDSA-N 2 1 287.451 2.463 20 0 CEADMP Cc1cc2cc(NC(=[NH2+])N3CCN(C)CC3)ccc2c[nH+]1 ZINC001168746298 809222480 /nfs/dbraw/zinc/22/24/80/809222480.db2.gz ISWJXMUFPFXWKP-UHFFFAOYSA-N 2 1 283.379 2.137 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2ccc(Br)c(O)c2)CC1 ZINC001205053939 809265077 /nfs/dbraw/zinc/26/50/77/809265077.db2.gz WHUWWIIWVHFCRQ-UHFFFAOYSA-N 2 1 299.212 2.325 20 0 CEADMP COc1cncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000700042415 809276198 /nfs/dbraw/zinc/27/61/98/809276198.db2.gz VMFVVKXIEOZEOK-GOOCMWNKSA-N 2 1 275.396 2.195 20 0 CEADMP [NH3+][C@@H]1C[C@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074812 815280672 /nfs/dbraw/zinc/28/06/72/815280672.db2.gz YKPDGVCPEVGZPX-CWQOZTLDSA-N 2 1 285.435 2.261 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000700791251 809347972 /nfs/dbraw/zinc/34/79/72/809347972.db2.gz IOZMXUFQVXXCEN-OCCSQVGLSA-N 2 1 262.401 2.109 20 0 CEADMP COc1ccccc1CCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156386 815282357 /nfs/dbraw/zinc/28/23/57/815282357.db2.gz QJBHCAMANQFZIF-HUUCEWRRSA-N 2 1 280.387 2.389 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156386 815282360 /nfs/dbraw/zinc/28/23/60/815282360.db2.gz QJBHCAMANQFZIF-HUUCEWRRSA-N 2 1 280.387 2.389 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)C12CCC2 ZINC000700806732 809355089 /nfs/dbraw/zinc/35/50/89/809355089.db2.gz CZXQCHKYJJNOPR-VXGBXAGGSA-N 2 1 285.313 2.460 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)C2 ZINC001172100911 815283938 /nfs/dbraw/zinc/28/39/38/815283938.db2.gz UXQJIYFHZUBSGT-YYIAUSFCSA-N 2 1 274.408 2.325 20 0 CEADMP Cc1ncc(C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cn1 ZINC001172127771 815287261 /nfs/dbraw/zinc/28/72/61/815287261.db2.gz LJOMHTLZRJPKHL-MUJYYYPQSA-N 2 1 274.412 2.232 20 0 CEADMP Cc1ncc(C[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cn1 ZINC001172127771 815287267 /nfs/dbraw/zinc/28/72/67/815287267.db2.gz LJOMHTLZRJPKHL-MUJYYYPQSA-N 2 1 274.412 2.232 20 0 CEADMP Cc1ncc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cn1 ZINC001172127771 815287271 /nfs/dbraw/zinc/28/72/71/815287271.db2.gz LJOMHTLZRJPKHL-MUJYYYPQSA-N 2 1 274.412 2.232 20 0 CEADMP Cc1ncc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC001172127771 815287276 /nfs/dbraw/zinc/28/72/76/815287276.db2.gz LJOMHTLZRJPKHL-MUJYYYPQSA-N 2 1 274.412 2.232 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128792 815289166 /nfs/dbraw/zinc/28/91/66/815289166.db2.gz UJCJSMDJLDWYTH-XGUBFFRZSA-N 2 1 280.412 2.029 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128792 815289168 /nfs/dbraw/zinc/28/91/68/815289168.db2.gz UJCJSMDJLDWYTH-XGUBFFRZSA-N 2 1 280.412 2.029 20 0 CEADMP CCOC(=O)[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128792 815289172 /nfs/dbraw/zinc/28/91/72/815289172.db2.gz UJCJSMDJLDWYTH-XGUBFFRZSA-N 2 1 280.412 2.029 20 0 CEADMP CCOC(=O)[C@@H]1CCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128792 815289174 /nfs/dbraw/zinc/28/91/74/815289174.db2.gz UJCJSMDJLDWYTH-XGUBFFRZSA-N 2 1 280.412 2.029 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@]13CCOC3)C2 ZINC001172129333 815289357 /nfs/dbraw/zinc/28/93/57/815289357.db2.gz YJDZUXATHBNUKV-FXUDXRNXSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@]13CCOC3)C2 ZINC001172129333 815289362 /nfs/dbraw/zinc/28/93/62/815289362.db2.gz YJDZUXATHBNUKV-FXUDXRNXSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@]13CCOC3)C2 ZINC001172129333 815289365 /nfs/dbraw/zinc/28/93/65/815289365.db2.gz YJDZUXATHBNUKV-FXUDXRNXSA-N 2 1 264.413 2.257 20 0 CEADMP CC(C)[N@H+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC001172129536 815289385 /nfs/dbraw/zinc/28/93/85/815289385.db2.gz CAZIPCZGOMFJDB-NXOAAHMSSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC001172129536 815289390 /nfs/dbraw/zinc/28/93/90/815289390.db2.gz CAZIPCZGOMFJDB-NXOAAHMSSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC001172129536 815289394 /nfs/dbraw/zinc/28/93/94/815289394.db2.gz CAZIPCZGOMFJDB-NXOAAHMSSA-N 2 1 279.472 2.416 20 0 CEADMP COC(=O)CC[N@H+](C1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130759 815290786 /nfs/dbraw/zinc/29/07/86/815290786.db2.gz RHCJVVXYKZFJEL-FICVDOATSA-N 2 1 280.412 2.029 20 0 CEADMP COC(=O)CC[N@@H+](C1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130759 815290790 /nfs/dbraw/zinc/29/07/90/815290790.db2.gz RHCJVVXYKZFJEL-FICVDOATSA-N 2 1 280.412 2.029 20 0 CEADMP COC(=O)CC[NH+](C1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130759 815290794 /nfs/dbraw/zinc/29/07/94/815290794.db2.gz RHCJVVXYKZFJEL-FICVDOATSA-N 2 1 280.412 2.029 20 0 CEADMP COC(=O)CC[NH+](C1CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130759 815290797 /nfs/dbraw/zinc/29/07/97/815290797.db2.gz RHCJVVXYKZFJEL-FICVDOATSA-N 2 1 280.412 2.029 20 0 CEADMP c1ccc(CC[NH+]2CCC([NH2+]C3CSC3)CC2)cc1 ZINC000702031633 809487855 /nfs/dbraw/zinc/48/78/55/809487855.db2.gz YPFGPSDWKCHDMX-UHFFFAOYSA-N 2 1 276.449 2.399 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)C2 ZINC001172105511 815296461 /nfs/dbraw/zinc/29/64/61/815296461.db2.gz IPLBNZUROYYBCG-NXOAAHMSSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)C2 ZINC001172105511 815296462 /nfs/dbraw/zinc/29/64/62/815296462.db2.gz IPLBNZUROYYBCG-NXOAAHMSSA-N 2 1 292.398 2.464 20 0 CEADMP CCOC(=O)CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172108070 815298840 /nfs/dbraw/zinc/29/88/40/815298840.db2.gz OTZXIOIBJWDGEI-QKDCVEJESA-N 2 1 282.428 2.325 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1COc3cnccc31)C2 ZINC001172108531 815299280 /nfs/dbraw/zinc/29/92/80/815299280.db2.gz BBDAZJHSTCHKJO-APIJFGDWSA-N 2 1 287.407 2.163 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3c(c1)CC(=O)N3)C2 ZINC001172111553 815299929 /nfs/dbraw/zinc/29/99/29/815299929.db2.gz VIQOYMMKMAGIHM-MUJYYYPQSA-N 2 1 299.418 2.286 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)C2 ZINC001172111829 815300105 /nfs/dbraw/zinc/30/01/05/815300105.db2.gz WPZOFOKCSULCDS-DGXTUMSLSA-N 2 1 266.429 2.142 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)C2 ZINC001172111818 815300143 /nfs/dbraw/zinc/30/01/43/815300143.db2.gz WNCKNIUHPKADGX-XLAORIBOSA-N 2 1 288.435 2.367 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](CCO)Cc1ccccc1)C2 ZINC001172113552 815302602 /nfs/dbraw/zinc/30/26/02/815302602.db2.gz KGZFUTYZMXWWSV-PIIMJCKOSA-N 2 1 288.435 2.496 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](CCO)Cc1ccccc1)C2 ZINC001172113552 815302609 /nfs/dbraw/zinc/30/26/09/815302609.db2.gz KGZFUTYZMXWWSV-PIIMJCKOSA-N 2 1 288.435 2.496 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](CCO)Cc1ccccc1)C2 ZINC001172113552 815302616 /nfs/dbraw/zinc/30/26/16/815302616.db2.gz KGZFUTYZMXWWSV-PIIMJCKOSA-N 2 1 288.435 2.496 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000703009755 809610931 /nfs/dbraw/zinc/61/09/31/809610931.db2.gz LRYZOJSFZZLLAB-NFOMZHRRSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@](C)(O)CC1)C2 ZINC001172114707 815304466 /nfs/dbraw/zinc/30/44/66/815304466.db2.gz SJNGWQXPWUOJLR-QKPAOTATSA-N 2 1 266.429 2.239 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@](C)(O)CC1)C2 ZINC001172114707 815304472 /nfs/dbraw/zinc/30/44/72/815304472.db2.gz SJNGWQXPWUOJLR-QKPAOTATSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@](C)(O)CC1)C2 ZINC001172114707 815304475 /nfs/dbraw/zinc/30/44/75/815304475.db2.gz SJNGWQXPWUOJLR-QKPAOTATSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@](C)(O)CC1)C2 ZINC001172114707 815304480 /nfs/dbraw/zinc/30/44/80/815304480.db2.gz SJNGWQXPWUOJLR-QKPAOTATSA-N 2 1 266.429 2.239 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000703261167 809633257 /nfs/dbraw/zinc/63/32/57/809633257.db2.gz ZROXAZSQPHSKCR-OHRKKDJYSA-N 2 1 259.397 2.227 20 0 CEADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@H]1O ZINC001172116617 815305546 /nfs/dbraw/zinc/30/55/46/815305546.db2.gz BLWOELTXLVKZKG-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@H]1O ZINC001172116617 815305551 /nfs/dbraw/zinc/30/55/51/815305551.db2.gz BLWOELTXLVKZKG-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[C@H]1O ZINC001172116617 815305557 /nfs/dbraw/zinc/30/55/57/815305557.db2.gz BLWOELTXLVKZKG-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[C@H]1O ZINC001172116617 815305562 /nfs/dbraw/zinc/30/55/62/815305562.db2.gz BLWOELTXLVKZKG-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1c3ccccc3C[C@@H]1O)C2 ZINC001172118545 815305646 /nfs/dbraw/zinc/30/56/46/815305646.db2.gz RLUVDRVCNDTISM-HITLURFISA-N 2 1 286.419 2.250 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ncccc1C(F)(F)F ZINC001117953771 809664671 /nfs/dbraw/zinc/66/46/71/809664671.db2.gz OXBJEEOWCXAYHH-VIFPVBQESA-N 2 1 261.291 2.046 20 0 CEADMP CC1([NH3+])CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000704517697 809738297 /nfs/dbraw/zinc/73/82/97/809738297.db2.gz FTCPBGWSNDBGRV-SECBINFHSA-N 2 1 251.201 2.384 20 0 CEADMP C[N@@H+](C[C@@H]1CC(C)(C)OC1(C)C)CC(C)(C)C[NH3+] ZINC000709703400 809953958 /nfs/dbraw/zinc/95/39/58/809953958.db2.gz SZRUMHHCQRZJFK-LBPRGKRZSA-N 2 1 256.434 2.497 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@H](OC3CCC3)C2)CCC[NH2+]C1 ZINC000709363201 809960383 /nfs/dbraw/zinc/96/03/83/809960383.db2.gz JGIQHEJKVXRSKB-HOTGVXAUSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)CCCCCC[NH3+] ZINC000710694743 809990451 /nfs/dbraw/zinc/99/04/51/809990451.db2.gz PUHXKGXCYNDGIK-OAHLLOKOSA-N 2 1 283.460 2.228 20 0 CEADMP C[C@H]1COC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000710864367 809997236 /nfs/dbraw/zinc/99/72/36/809997236.db2.gz KGQFAYFSOONXBT-HOCLYGCPSA-N 2 1 262.397 2.133 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)CCO1 ZINC000923298512 810084381 /nfs/dbraw/zinc/08/43/81/810084381.db2.gz UYTBAQVDASAJKR-JSGCOSHPSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)CCO1 ZINC000923298512 810084384 /nfs/dbraw/zinc/08/43/84/810084384.db2.gz UYTBAQVDASAJKR-JSGCOSHPSA-N 2 1 252.402 2.005 20 0 CEADMP Cc1nc(C[NH+]2CCC(O)(C[NH3+])CC2)sc1C(C)(C)C ZINC000923383358 810089925 /nfs/dbraw/zinc/08/99/25/810089925.db2.gz ZPQBSXCGNNAZNT-UHFFFAOYSA-N 2 1 297.468 2.035 20 0 CEADMP CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001080554594 810293152 /nfs/dbraw/zinc/29/31/52/810293152.db2.gz XAJJEBMDSYRQKQ-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCOCC1CC[NH+](C2CC[NH+](CCCOC)CC2)CC1 ZINC001172253288 815360495 /nfs/dbraw/zinc/36/04/95/815360495.db2.gz JULGDHKDLOEZIQ-UHFFFAOYSA-N 2 1 298.471 2.236 20 0 CEADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001015792359 810353879 /nfs/dbraw/zinc/35/38/79/810353879.db2.gz VMGWKTZLEGMEIU-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015792359 810353883 /nfs/dbraw/zinc/35/38/83/810353883.db2.gz VMGWKTZLEGMEIU-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015792359 810353888 /nfs/dbraw/zinc/35/38/88/810353888.db2.gz VMGWKTZLEGMEIU-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001015931262 810372969 /nfs/dbraw/zinc/37/29/69/810372969.db2.gz GWWGJHTUMGKNQL-OAHLLOKOSA-N 2 1 298.390 2.085 20 0 CEADMP C[C@H]1C[C@@H](NC(=O)CCCCC2CC[NH2+]CC2)CC[N@H+]1C ZINC001121923441 815367130 /nfs/dbraw/zinc/36/71/30/815367130.db2.gz KVNLQCMYYQTZAT-HOCLYGCPSA-N 2 1 295.471 2.145 20 0 CEADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC3CCC3)CC2)C1 ZINC001202792693 810685692 /nfs/dbraw/zinc/68/56/92/810685692.db2.gz PFSBKGDTXQAPRW-HNNXBMFYSA-N 2 1 294.439 2.136 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ncccn1 ZINC001258907926 810695841 /nfs/dbraw/zinc/69/58/41/810695841.db2.gz OKMZPCHRAQZTGY-AWEZNQCLSA-N 2 1 264.417 2.419 20 0 CEADMP CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001085784450 810913836 /nfs/dbraw/zinc/91/38/36/810913836.db2.gz UFYNJLPDFIYOPF-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085784450 810913838 /nfs/dbraw/zinc/91/38/38/810913838.db2.gz UFYNJLPDFIYOPF-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001085784450 810913846 /nfs/dbraw/zinc/91/38/46/810913846.db2.gz UFYNJLPDFIYOPF-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC ZINC001038901875 810940695 /nfs/dbraw/zinc/94/06/95/810940695.db2.gz AQZVUXBQHVLPEQ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC ZINC001038901875 810940703 /nfs/dbraw/zinc/94/07/03/810940703.db2.gz AQZVUXBQHVLPEQ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC ZINC001038901875 810940715 /nfs/dbraw/zinc/94/07/15/810940715.db2.gz AQZVUXBQHVLPEQ-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1CC[NH3+] ZINC000723909361 811031498 /nfs/dbraw/zinc/03/14/98/811031498.db2.gz MRIVHBGIVZMOKY-RKDXNWHRSA-N 2 1 259.806 2.213 20 0 CEADMP CC[C@H](C(=O)N1CCC([N@@H+](CC)CC2CC2)CC1)[NH+](C)C ZINC001039486658 811040159 /nfs/dbraw/zinc/04/01/59/811040159.db2.gz NNRORBJSCXOREF-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040260233 811100915 /nfs/dbraw/zinc/10/09/15/811100915.db2.gz CIIVORTUSQXELH-WBVHZDCISA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCC1 ZINC001155900583 811157190 /nfs/dbraw/zinc/15/71/90/811157190.db2.gz ZOTFRSLMQOEZFR-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H]1CN(Cc2ncc(C(F)(F)F)[nH]2)CCC[C@@H]1C[NH3+] ZINC001205993152 811250671 /nfs/dbraw/zinc/25/06/71/811250671.db2.gz HKPKFINPSFEHEX-NXEZZACHSA-N 2 1 290.333 2.235 20 0 CEADMP CC(C)OCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172445915 815440039 /nfs/dbraw/zinc/44/00/39/815440039.db2.gz HBOUSAPMMVTKRZ-KFWWJZLASA-N 2 1 254.418 2.074 20 0 CEADMP CC(C)OCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001172445915 815440044 /nfs/dbraw/zinc/44/00/44/815440044.db2.gz HBOUSAPMMVTKRZ-KFWWJZLASA-N 2 1 254.418 2.074 20 0 CEADMP CC(C)OCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001172445915 815440049 /nfs/dbraw/zinc/44/00/49/815440049.db2.gz HBOUSAPMMVTKRZ-KFWWJZLASA-N 2 1 254.418 2.074 20 0 CEADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001169058396 811358526 /nfs/dbraw/zinc/35/85/26/811358526.db2.gz HGJNFWPZQQHGJL-DLBZAZTESA-N 2 1 276.424 2.303 20 0 CEADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001169058396 811358535 /nfs/dbraw/zinc/35/85/35/811358535.db2.gz HGJNFWPZQQHGJL-DLBZAZTESA-N 2 1 276.424 2.303 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169093976 811367358 /nfs/dbraw/zinc/36/73/58/811367358.db2.gz JWHJMPRVANRYCY-BJWYYQGGSA-N 2 1 287.407 2.360 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169093976 811367367 /nfs/dbraw/zinc/36/73/67/811367367.db2.gz JWHJMPRVANRYCY-BJWYYQGGSA-N 2 1 287.407 2.360 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccncc3)CC1)C2 ZINC001169100022 811372614 /nfs/dbraw/zinc/37/26/14/811372614.db2.gz ZLRBVZJMKOYPIK-QDMKHBRRSA-N 2 1 257.381 2.286 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccncc3)CC1)C2 ZINC001169100022 811372626 /nfs/dbraw/zinc/37/26/26/811372626.db2.gz ZLRBVZJMKOYPIK-QDMKHBRRSA-N 2 1 257.381 2.286 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1COc3ccccc3C1)C2 ZINC001169079169 811376538 /nfs/dbraw/zinc/37/65/38/811376538.db2.gz JEJPEPONRNPKNV-FPCVCCKLSA-N 2 1 272.392 2.205 20 0 CEADMP CC(C)[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169092272 811382467 /nfs/dbraw/zinc/38/24/67/811382467.db2.gz AZYMLVGFWDFXAS-MUJYYYPQSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091824 811383591 /nfs/dbraw/zinc/38/35/91/811383591.db2.gz VWBDBISPTYOUFF-FQUUOJAGSA-N 2 1 297.443 2.114 20 0 CEADMP CCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001169091844 811383946 /nfs/dbraw/zinc/38/39/46/811383946.db2.gz WDDHAHZYVIRPJT-QDMKHBRRSA-N 2 1 275.396 2.195 20 0 CEADMP CCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169091844 811383956 /nfs/dbraw/zinc/38/39/56/811383956.db2.gz WDDHAHZYVIRPJT-QDMKHBRRSA-N 2 1 275.396 2.195 20 0 CEADMP C[N@H+](CCNC(=O)OC(C)(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126535 811396231 /nfs/dbraw/zinc/39/62/31/811396231.db2.gz WABXJCKUDYOTBX-WDNDVIMCSA-N 2 1 297.443 2.068 20 0 CEADMP C[N@@H+](CCNC(=O)OC(C)(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126535 811396241 /nfs/dbraw/zinc/39/62/41/811396241.db2.gz WABXJCKUDYOTBX-WDNDVIMCSA-N 2 1 297.443 2.068 20 0 CEADMP C[NH+](CCNC(=O)OC(C)(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126535 811396243 /nfs/dbraw/zinc/39/62/43/811396243.db2.gz WABXJCKUDYOTBX-WDNDVIMCSA-N 2 1 297.443 2.068 20 0 CEADMP C[NH+](CCNC(=O)OC(C)(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126535 811396255 /nfs/dbraw/zinc/39/62/55/811396255.db2.gz WABXJCKUDYOTBX-WDNDVIMCSA-N 2 1 297.443 2.068 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001169109088 811403882 /nfs/dbraw/zinc/40/38/82/811403882.db2.gz HNFLFXOBYZUYSO-GALZCFESSA-N 2 1 277.456 2.217 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001169109088 811403886 /nfs/dbraw/zinc/40/38/86/811403886.db2.gz HNFLFXOBYZUYSO-GALZCFESSA-N 2 1 277.456 2.217 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001169109088 811403889 /nfs/dbraw/zinc/40/38/89/811403889.db2.gz HNFLFXOBYZUYSO-GALZCFESSA-N 2 1 277.456 2.217 20 0 CEADMP C[N@@H+](C[C@H]1CCCCO1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140721 811405724 /nfs/dbraw/zinc/40/57/24/811405724.db2.gz LPFMPSZJTDFPTE-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](C[C@H]1CCCCO1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169140721 811405729 /nfs/dbraw/zinc/40/57/29/811405729.db2.gz LPFMPSZJTDFPTE-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](C[C@H]1CCCCO1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140721 811405731 /nfs/dbraw/zinc/40/57/31/811405731.db2.gz LPFMPSZJTDFPTE-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CC[NH+](CC3CCC3)C1)C2 ZINC001169113866 811406789 /nfs/dbraw/zinc/40/67/89/811406789.db2.gz VCEULTOVSUSQAA-NXOAAHMSSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001169113866 811406795 /nfs/dbraw/zinc/40/67/95/811406795.db2.gz VCEULTOVSUSQAA-NXOAAHMSSA-N 2 1 277.456 2.076 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001169113866 811406802 /nfs/dbraw/zinc/40/68/02/811406802.db2.gz VCEULTOVSUSQAA-NXOAAHMSSA-N 2 1 277.456 2.076 20 0 CEADMP CO[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169143341 811408127 /nfs/dbraw/zinc/40/81/27/811408127.db2.gz FHPBFPLUILLHTL-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169143341 811408131 /nfs/dbraw/zinc/40/81/31/811408131.db2.gz FHPBFPLUILLHTL-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169143341 811408135 /nfs/dbraw/zinc/40/81/35/811408135.db2.gz FHPBFPLUILLHTL-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccnc1[C@@H]1CCC[NH2+]C1)C2 ZINC001169147684 811412262 /nfs/dbraw/zinc/41/22/62/811412262.db2.gz VWRRMOXKLRJPDZ-APIJFGDWSA-N 2 1 274.412 2.148 20 0 CEADMP CO[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC001169161726 811420350 /nfs/dbraw/zinc/42/03/50/811420350.db2.gz QFTUCSWZDCLNHZ-SBJFKYEJSA-N 2 1 252.402 2.111 20 0 CEADMP CO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](C)C1 ZINC001169161726 811420356 /nfs/dbraw/zinc/42/03/56/811420356.db2.gz QFTUCSWZDCLNHZ-SBJFKYEJSA-N 2 1 252.402 2.111 20 0 CEADMP CO[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1 ZINC001169161726 811420358 /nfs/dbraw/zinc/42/03/58/811420358.db2.gz QFTUCSWZDCLNHZ-SBJFKYEJSA-N 2 1 252.402 2.111 20 0 CEADMP CC[NH+]1CCC([NH2+]CCOc2ccccc2C)CC1 ZINC001169222044 811435673 /nfs/dbraw/zinc/43/56/73/811435673.db2.gz WNCRJBKOPUKSAQ-UHFFFAOYSA-N 2 1 262.397 2.448 20 0 CEADMP CCN1CCC([N@@H+]2CCC[C@@H](c3noc(C)n3)C2)CC1 ZINC001169245513 811460560 /nfs/dbraw/zinc/46/05/60/811460560.db2.gz GMTQHCJJGJFFRJ-CYBMUJFWSA-N 2 1 278.400 2.042 20 0 CEADMP CCN1CCC([N@H+]2CCC[C@@H](c3noc(C)n3)C2)CC1 ZINC001169245513 811460565 /nfs/dbraw/zinc/46/05/65/811460565.db2.gz GMTQHCJJGJFFRJ-CYBMUJFWSA-N 2 1 278.400 2.042 20 0 CEADMP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001044336896 811471974 /nfs/dbraw/zinc/47/19/74/811471974.db2.gz XBXQHFBVHHLVDH-ZBFHGGJFSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001169456048 811518016 /nfs/dbraw/zinc/51/80/16/811518016.db2.gz GIXNZZQRNIZCQK-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001169458045 811532474 /nfs/dbraw/zinc/53/24/74/811532474.db2.gz ZSVXQTPFZGDYDS-HZPDHXFCSA-N 2 1 297.487 2.474 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001169476709 811541733 /nfs/dbraw/zinc/54/17/33/811541733.db2.gz SBWHIQULLQJREV-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3nccn3c2)CCC[C@@H]1C[NH3+] ZINC001206013227 811587153 /nfs/dbraw/zinc/58/71/53/811587153.db2.gz QNHKJXLXGSROEN-UKRRQHHQSA-N 2 1 272.396 2.141 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc3ncccc3[nH]2)CCC[C@@H]1C[NH3+] ZINC001206014120 811603584 /nfs/dbraw/zinc/60/35/84/811603584.db2.gz WBRGHKQMLDSJFY-QWHCGFSZSA-N 2 1 272.396 2.370 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ncn3ccccc23)CCC[C@@H]1C[NH3+] ZINC001206014139 811603634 /nfs/dbraw/zinc/60/36/34/811603634.db2.gz WCVAYQQLWYQWGN-UONOGXRCSA-N 2 1 272.396 2.141 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccn3ccnc23)CCC[C@@H]1C[NH3+] ZINC001206014857 811606797 /nfs/dbraw/zinc/60/67/97/811606797.db2.gz YGTGSHHQGILOKX-UONOGXRCSA-N 2 1 272.396 2.141 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3c2OCC3)CCC[C@H]1C[NH3+] ZINC001206022294 811686077 /nfs/dbraw/zinc/68/60/77/811686077.db2.gz BRNZXRTZFYXRRJ-HIFRSBDPSA-N 2 1 274.408 2.428 20 0 CEADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169909743 811710430 /nfs/dbraw/zinc/71/04/30/811710430.db2.gz MJIYQYBTYZEZAA-ILXRZTDVSA-N 2 1 282.428 2.135 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc3cccc(O)c3n2)CC[C@@H]1F ZINC001206174765 815492666 /nfs/dbraw/zinc/49/26/66/815492666.db2.gz PHTNNEYAJQXYFO-UONOGXRCSA-N 2 1 289.354 2.202 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3cccc(O)c3n2)CC[C@@H]1F ZINC001206174765 815492671 /nfs/dbraw/zinc/49/26/71/815492671.db2.gz PHTNNEYAJQXYFO-UONOGXRCSA-N 2 1 289.354 2.202 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC=C(C)C ZINC001109928240 811971526 /nfs/dbraw/zinc/97/15/26/811971526.db2.gz NEQOHLFNYLHEMG-PMPSAXMXSA-N 2 1 293.455 2.016 20 0 CEADMP CCOc1ncccc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206566284 812092963 /nfs/dbraw/zinc/09/29/63/812092963.db2.gz ZELUIXQHLWSUFJ-MRXNPFEDSA-N 2 1 277.412 2.431 20 0 CEADMP CCOc1ncccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206566284 812092972 /nfs/dbraw/zinc/09/29/72/812092972.db2.gz ZELUIXQHLWSUFJ-MRXNPFEDSA-N 2 1 277.412 2.431 20 0 CEADMP CCC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001113155464 812172897 /nfs/dbraw/zinc/17/28/97/812172897.db2.gz QPSDLJGEOOXNAD-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[N@H+]1C[C@H]2CN(c3ccc4c([nH+]3)CCC4)C[C@H]2C1 ZINC001157690985 812319257 /nfs/dbraw/zinc/31/92/57/812319257.db2.gz NJMHFOIUZCTAAZ-GASCZTMLSA-N 2 1 271.408 2.348 20 0 CEADMP CCC[N@@H+]1C[C@H]2CN(c3ccc4c([nH+]3)CCC4)C[C@H]2C1 ZINC001157690985 812319268 /nfs/dbraw/zinc/31/92/68/812319268.db2.gz NJMHFOIUZCTAAZ-GASCZTMLSA-N 2 1 271.408 2.348 20 0 CEADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@H]1C[NH3+] ZINC001170408836 812408381 /nfs/dbraw/zinc/40/83/81/812408381.db2.gz WIBAXXOJQZNLIB-KGLIPLIRSA-N 2 1 276.380 2.160 20 0 CEADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@H]1C[NH3+] ZINC001170408836 812408383 /nfs/dbraw/zinc/40/83/83/812408383.db2.gz WIBAXXOJQZNLIB-KGLIPLIRSA-N 2 1 276.380 2.160 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC001254522012 812436320 /nfs/dbraw/zinc/43/63/20/812436320.db2.gz AVHQQHIWLSIARR-HOTGVXAUSA-N 2 1 265.445 2.031 20 0 CEADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CCC1CCCC1 ZINC001129841222 812513108 /nfs/dbraw/zinc/51/31/08/812513108.db2.gz NDTYYMYSLVNKEF-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129839513 812515356 /nfs/dbraw/zinc/51/53/56/812515356.db2.gz AUXVSSNIYSTEQO-OAHLLOKOSA-N 2 1 283.460 2.147 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC1CCCCCC1 ZINC001130425452 812566818 /nfs/dbraw/zinc/56/68/18/812566818.db2.gz ZXWKRETWAWAEKD-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP CC(C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158099944 812607742 /nfs/dbraw/zinc/60/77/42/812607742.db2.gz TVEOFLZDGJAXRL-HNNXBMFYSA-N 2 1 295.471 2.145 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)C1 ZINC001170536358 812635165 /nfs/dbraw/zinc/63/51/65/812635165.db2.gz CTSMKCZTJMYUHF-RRFJBIMHSA-N 2 1 282.428 2.169 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001172919210 815544892 /nfs/dbraw/zinc/54/48/92/815544892.db2.gz OAYQWHHJLPQSQX-XGUBFFRZSA-N 2 1 254.418 2.406 20 0 CEADMP C[N@H+](Cc1ccc(-n2ccnn2)cc1)CC1CC[NH+](C)CC1 ZINC001137366033 812716011 /nfs/dbraw/zinc/71/60/11/812716011.db2.gz TUAJVMLCJKIKJH-UHFFFAOYSA-N 2 1 299.422 2.041 20 0 CEADMP CCCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132409944 812843099 /nfs/dbraw/zinc/84/30/99/812843099.db2.gz HGSYDQGUAIXRIY-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132409944 812843108 /nfs/dbraw/zinc/84/31/08/812843108.db2.gz HGSYDQGUAIXRIY-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132409944 812843119 /nfs/dbraw/zinc/84/31/19/812843119.db2.gz HGSYDQGUAIXRIY-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC2CCC2)C1 ZINC001132410871 812845486 /nfs/dbraw/zinc/84/54/86/812845486.db2.gz PHCDYDCGWFTEKC-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132410871 812845495 /nfs/dbraw/zinc/84/54/95/812845495.db2.gz PHCDYDCGWFTEKC-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCC2)C1 ZINC001132410871 812845503 /nfs/dbraw/zinc/84/55/03/812845503.db2.gz PHCDYDCGWFTEKC-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC=C(C)C)C1 ZINC001132441419 812855474 /nfs/dbraw/zinc/85/54/74/812855474.db2.gz OPDLCKVKUUFQLK-CVEARBPZSA-N 2 1 295.471 2.264 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC=C(C)C)C1 ZINC001132441419 812855482 /nfs/dbraw/zinc/85/54/82/812855482.db2.gz OPDLCKVKUUFQLK-CVEARBPZSA-N 2 1 295.471 2.264 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132441419 812855491 /nfs/dbraw/zinc/85/54/91/812855491.db2.gz OPDLCKVKUUFQLK-CVEARBPZSA-N 2 1 295.471 2.264 20 0 CEADMP CCc1[nH]c(CN2CCC([N@@H+](C)CC)CC2)c(C)[nH+]1 ZINC001203252058 815561079 /nfs/dbraw/zinc/56/10/79/815561079.db2.gz TUFKFXDQYNSYBG-UHFFFAOYSA-N 2 1 264.417 2.197 20 0 CEADMP CCc1[nH]c(CN2CCC([N@H+](C)CC)CC2)c(C)[nH+]1 ZINC001203252058 815561082 /nfs/dbraw/zinc/56/10/82/815561082.db2.gz TUFKFXDQYNSYBG-UHFFFAOYSA-N 2 1 264.417 2.197 20 0 CEADMP CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132493156 812868858 /nfs/dbraw/zinc/86/88/58/812868858.db2.gz JQVBMPPKHKBBPK-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CO[C@H]1CCC[C@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)C1 ZINC001172946846 815557964 /nfs/dbraw/zinc/55/79/64/815557964.db2.gz VUMZHXKXZJGUJR-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001052245279 812953957 /nfs/dbraw/zinc/95/39/57/812953957.db2.gz NTSRCLAVRWFSBE-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001052245279 812953962 /nfs/dbraw/zinc/95/39/62/812953962.db2.gz NTSRCLAVRWFSBE-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001052245279 812953966 /nfs/dbraw/zinc/95/39/66/812953966.db2.gz NTSRCLAVRWFSBE-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+]1C1CCC2(CCOCC2)CC1 ZINC001173039689 815567829 /nfs/dbraw/zinc/56/78/29/815567829.db2.gz CBWBFMIMIKLQCR-AWEZNQCLSA-N 2 1 252.402 2.149 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+]1C1CCC2(CCOCC2)CC1 ZINC001173039689 815567831 /nfs/dbraw/zinc/56/78/31/815567831.db2.gz CBWBFMIMIKLQCR-AWEZNQCLSA-N 2 1 252.402 2.149 20 0 CEADMP [NH3+]CCc1c[nH+]cn1[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170655906 812993585 /nfs/dbraw/zinc/99/35/85/812993585.db2.gz UGBMSQOXTQIXOE-GFCCVEGCSA-N 2 1 277.318 2.393 20 0 CEADMP C[N@H+](Cc1c[nH]c2ncccc12)CC1CC[NH+](C)CC1 ZINC001137402494 813033060 /nfs/dbraw/zinc/03/30/60/813033060.db2.gz WGRSIMMCGGWVHG-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170752166 813276983 /nfs/dbraw/zinc/27/69/83/813276983.db2.gz XXMFCRBIKPOLAY-HUUCEWRRSA-N 2 1 283.460 2.144 20 0 CEADMP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134612174 813295458 /nfs/dbraw/zinc/29/54/58/813295458.db2.gz IVDGZFNMJGHJSC-KBPBESRZSA-N 2 1 283.460 2.144 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(C)C ZINC001134772490 813322977 /nfs/dbraw/zinc/32/29/77/813322977.db2.gz FANQBABHSAEGKV-KGLIPLIRSA-N 2 1 285.476 2.246 20 0 CEADMP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135006895 813351090 /nfs/dbraw/zinc/35/10/90/813351090.db2.gz ACOBUCZTHFDRBQ-UONOGXRCSA-N 2 1 294.443 2.255 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135103171 813367177 /nfs/dbraw/zinc/36/71/77/813367177.db2.gz XHVQWQJKHMTIFF-JKSUJKDBSA-N 2 1 295.471 2.145 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CCCCC ZINC001135440391 813439376 /nfs/dbraw/zinc/43/93/76/813439376.db2.gz LLSYDRCEAYHJBD-UHFFFAOYSA-N 2 1 285.476 2.395 20 0 CEADMP CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476916 813446158 /nfs/dbraw/zinc/44/61/58/813446158.db2.gz NWEGHORXSIMSOP-KGLIPLIRSA-N 2 1 283.460 2.001 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820991 813490271 /nfs/dbraw/zinc/49/02/71/813490271.db2.gz HTHMJEJXTIDOKW-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820991 813490274 /nfs/dbraw/zinc/49/02/74/813490274.db2.gz HTHMJEJXTIDOKW-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820991 813490277 /nfs/dbraw/zinc/49/02/77/813490277.db2.gz HTHMJEJXTIDOKW-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001135980989 813577534 /nfs/dbraw/zinc/57/75/34/813577534.db2.gz VSPPETBROZRRED-LSDHHAIUSA-N 2 1 297.487 2.391 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396691351 813580474 /nfs/dbraw/zinc/58/04/74/813580474.db2.gz ZEDBQOXRHRNKGG-SWLSCSKDSA-N 2 1 250.361 2.407 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000396696416 813580597 /nfs/dbraw/zinc/58/05/97/813580597.db2.gz JPGZBAPSVGCRNG-DZGCQCFKSA-N 2 1 254.418 2.456 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396691356 813580755 /nfs/dbraw/zinc/58/07/55/813580755.db2.gz ZEDBQOXRHRNKGG-WFASDCNBSA-N 2 1 250.361 2.407 20 0 CEADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](CC)C[C@@H](C)CC ZINC001246202806 813727750 /nfs/dbraw/zinc/72/77/50/813727750.db2.gz TUWIOHRDOWGUKA-XQLPTFJDSA-N 2 1 284.444 2.332 20 0 CEADMP [NH3+]CC1([NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171032050 813760702 /nfs/dbraw/zinc/76/07/02/813760702.db2.gz AYRSWBHCBAXLRZ-NSHDSACASA-N 2 1 250.773 2.278 20 0 CEADMP CC(C)C[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001074693586 813844204 /nfs/dbraw/zinc/84/42/04/813844204.db2.gz IZNWNGHPMTVCDQ-JYJNAYRXSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099299292 813998531 /nfs/dbraw/zinc/99/85/31/813998531.db2.gz SBZHMOFAQFVQKQ-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001099299292 813998536 /nfs/dbraw/zinc/99/85/36/813998536.db2.gz SBZHMOFAQFVQKQ-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099299292 813998538 /nfs/dbraw/zinc/99/85/38/813998538.db2.gz SBZHMOFAQFVQKQ-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099340780 814000220 /nfs/dbraw/zinc/00/02/20/814000220.db2.gz ZAASVSKRRVNZSV-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(C)C)C1 ZINC001091057995 814039924 /nfs/dbraw/zinc/03/99/24/814039924.db2.gz IGEQFVUYTVEKQE-UYSNPLJNSA-N 2 1 295.471 2.001 20 0 CEADMP CO[C@@H]1CCC[C@@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001246557954 814039977 /nfs/dbraw/zinc/03/99/77/814039977.db2.gz LVHLFKCAZASPIU-MGPQQGTHSA-N 2 1 258.381 2.097 20 0 CEADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC001246559363 814043056 /nfs/dbraw/zinc/04/30/56/814043056.db2.gz ACIUTCYNNVUTSQ-LNFKQOIKSA-N 2 1 268.298 2.207 20 0 CEADMP C[C@H]1C[C@H]([N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC001246559363 814043062 /nfs/dbraw/zinc/04/30/62/814043062.db2.gz ACIUTCYNNVUTSQ-LNFKQOIKSA-N 2 1 268.298 2.207 20 0 CEADMP C[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCC[C@@H]1C[NH3+] ZINC001246565820 814057439 /nfs/dbraw/zinc/05/74/39/814057439.db2.gz IKJGDCCHMQOAHG-WXLSXGNJSA-N 3 1 267.461 2.166 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC001255965117 814063874 /nfs/dbraw/zinc/06/38/74/814063874.db2.gz XUINBAAEKZWWTG-HOCLYGCPSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@]12CCOC2 ZINC001255968294 814065152 /nfs/dbraw/zinc/06/51/52/814065152.db2.gz XELFAQCNNZVXIQ-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)CCO1 ZINC001246569072 814075467 /nfs/dbraw/zinc/07/54/67/814075467.db2.gz PNKXVVNVQMPDIV-LXTVHRRPSA-N 2 1 254.418 2.251 20 0 CEADMP c1cncc(CCC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256067919 814093031 /nfs/dbraw/zinc/09/30/31/814093031.db2.gz ODMSSSXVGDBYEO-UHFFFAOYSA-N 2 1 259.397 2.231 20 0 CEADMP CC(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001100446278 814127175 /nfs/dbraw/zinc/12/71/75/814127175.db2.gz XZKCFSVYURSVKC-GPANFISMSA-N 2 1 295.471 2.001 20 0 CEADMP COC(=O)CCCC[C@@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246580512 814148356 /nfs/dbraw/zinc/14/83/56/814148356.db2.gz NEFIAKOQEDNTNL-UKRRQHHQSA-N 2 1 288.407 2.261 20 0 CEADMP COC(=O)CCCC[C@@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246580512 814148360 /nfs/dbraw/zinc/14/83/60/814148360.db2.gz NEFIAKOQEDNTNL-UKRRQHHQSA-N 2 1 288.407 2.261 20 0 CEADMP COc1cccc([C@@H](C)C[NH2+]C2CC[NH+](C)CC2)c1 ZINC001256201699 814182826 /nfs/dbraw/zinc/18/28/26/814182826.db2.gz LAANBTLUGAEEPC-ZDUSSCGKSA-N 2 1 262.397 2.483 20 0 CEADMP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146592355 814298012 /nfs/dbraw/zinc/29/80/12/814298012.db2.gz KGZPXDLDCUTZNH-CABCVRRESA-N 2 1 283.460 2.166 20 0 CEADMP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146592358 814299192 /nfs/dbraw/zinc/29/91/92/814299192.db2.gz KGZPXDLDCUTZNH-LSDHHAIUSA-N 2 1 283.460 2.166 20 0 CEADMP CC[C@H](C[C@@H](C)CC)[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246872179 814322428 /nfs/dbraw/zinc/32/24/28/814322428.db2.gz PNZKCFNJROBXJJ-IMJJTQAJSA-N 2 1 267.461 2.309 20 0 CEADMP C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246911076 814384658 /nfs/dbraw/zinc/38/46/58/814384658.db2.gz PDCZIWKKZMZNLY-KBUPBQIOSA-N 3 1 267.461 2.355 20 0 CEADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246985176 814490720 /nfs/dbraw/zinc/49/07/20/814490720.db2.gz AFZRABFHKZQGSD-MELADBBJSA-N 2 1 254.418 2.107 20 0 CEADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246985176 814490723 /nfs/dbraw/zinc/49/07/23/814490723.db2.gz AFZRABFHKZQGSD-MELADBBJSA-N 2 1 254.418 2.107 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC001103662547 814516399 /nfs/dbraw/zinc/51/63/99/814516399.db2.gz AMNWUDJCBGSFTO-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001103662547 814516404 /nfs/dbraw/zinc/51/64/04/814516404.db2.gz AMNWUDJCBGSFTO-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC001103662547 814516411 /nfs/dbraw/zinc/51/64/11/814516411.db2.gz AMNWUDJCBGSFTO-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148286181 814551260 /nfs/dbraw/zinc/55/12/60/814551260.db2.gz UPZAXLTWPGWBLP-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111926008 814633295 /nfs/dbraw/zinc/63/32/95/814633295.db2.gz TWSQYIDOSUUKIC-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CC)C1 ZINC001111926008 814633298 /nfs/dbraw/zinc/63/32/98/814633298.db2.gz TWSQYIDOSUUKIC-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CC)C1 ZINC001111926008 814633302 /nfs/dbraw/zinc/63/33/02/814633302.db2.gz TWSQYIDOSUUKIC-RDJZCZTQSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])C[C@](C)(C(F)F)O1 ZINC000698781696 814660588 /nfs/dbraw/zinc/66/05/88/814660588.db2.gz OWEGAISLNAZIJQ-WCQYABFASA-N 2 1 264.360 2.250 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](F)[C@H](O)C2)CC1 ZINC001173110463 815582111 /nfs/dbraw/zinc/58/21/11/815582111.db2.gz SSCQEXIQGYBAHB-NEXFUWMNSA-N 2 1 272.408 2.044 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)O2)CC[C@H]1[NH3+] ZINC000712412468 814743297 /nfs/dbraw/zinc/74/32/97/814743297.db2.gz BOAGSVVNKAGLSY-MGPQQGTHSA-N 2 1 252.402 2.147 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000712451424 814748177 /nfs/dbraw/zinc/74/81/77/814748177.db2.gz KXNHCAGGPVOCLZ-UONOGXRCSA-N 2 1 252.402 2.291 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)O1 ZINC000714380595 814893652 /nfs/dbraw/zinc/89/36/52/814893652.db2.gz JDZIPQMHQRSBEC-GBJTYRQASA-N 2 1 266.429 2.393 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)O1 ZINC000714332960 814894867 /nfs/dbraw/zinc/89/48/67/814894867.db2.gz YYQUQDHPBZJUQY-GDBMZVCRSA-N 2 1 266.429 2.410 20 0 CEADMP COC(=O)c1ccccc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001137790334 815685243 /nfs/dbraw/zinc/68/52/43/815685243.db2.gz PRNDLAGQVULIDQ-UHFFFAOYSA-N 2 1 288.391 2.001 20 0 CEADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC001173354067 815694984 /nfs/dbraw/zinc/69/49/84/815694984.db2.gz VYNXQVIYSRZNEO-QGZVFWFLSA-N 2 1 279.472 2.325 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001173440907 815718902 /nfs/dbraw/zinc/71/89/02/815718902.db2.gz KDMLNHLKKPKAGR-HSBZDZAISA-N 2 1 270.417 2.310 20 0 CEADMP [NH3+]CCc1c[nH+]cn1C1Cc2cc(F)c(F)cc2C1 ZINC001173472106 815723483 /nfs/dbraw/zinc/72/34/83/815723483.db2.gz DHBQIGPECRAXMY-UHFFFAOYSA-N 2 1 263.291 2.002 20 0 CEADMP [NH3+]CC[N@H+](CCO)C1CCC2(CCc3ccccc32)CC1 ZINC001173686859 815796098 /nfs/dbraw/zinc/79/60/98/815796098.db2.gz FJJWAVDGILICNO-UHFFFAOYSA-N 2 1 288.435 2.066 20 0 CEADMP [NH3+]CC[N@@H+](CCO)C1CCC2(CCc3ccccc32)CC1 ZINC001173686859 815796101 /nfs/dbraw/zinc/79/61/01/815796101.db2.gz FJJWAVDGILICNO-UHFFFAOYSA-N 2 1 288.435 2.066 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)cc1 ZINC001138545007 815823956 /nfs/dbraw/zinc/82/39/56/815823956.db2.gz QGHWQCNTKBSLLU-GUYCJALGSA-N 2 1 285.391 2.383 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)cc1 ZINC001138545007 815823964 /nfs/dbraw/zinc/82/39/64/815823964.db2.gz QGHWQCNTKBSLLU-GUYCJALGSA-N 2 1 285.391 2.383 20 0 CEADMP COC[C@@H]1CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138552023 815825059 /nfs/dbraw/zinc/82/50/59/815825059.db2.gz VLYYDEQDFMXXLL-INIZCTEOSA-N 2 1 271.364 2.401 20 0 CEADMP COC[C@@H]1CC[N@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138552023 815825067 /nfs/dbraw/zinc/82/50/67/815825067.db2.gz VLYYDEQDFMXXLL-INIZCTEOSA-N 2 1 271.364 2.401 20 0 CEADMP CCCn1ncc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC001138640230 815853905 /nfs/dbraw/zinc/85/39/05/815853905.db2.gz KEYAGHBHZKCARA-MRXNPFEDSA-N 2 1 276.428 2.129 20 0 CEADMP C[N@H+]1CCc2ncc(Nc3ccc4[nH+]ccn4c3)cc2C1 ZINC001174277354 815956982 /nfs/dbraw/zinc/95/69/82/815956982.db2.gz RRMNAGFVHKTJKP-UHFFFAOYSA-N 2 1 279.347 2.461 20 0 CEADMP CC[C@@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)C1 ZINC001139325995 816003123 /nfs/dbraw/zinc/00/31/23/816003123.db2.gz JDAOOJOSJXMLHT-CYBMUJFWSA-N 2 1 294.468 2.127 20 0 CEADMP CC[C@@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)C1 ZINC001139325995 816003131 /nfs/dbraw/zinc/00/31/31/816003131.db2.gz JDAOOJOSJXMLHT-CYBMUJFWSA-N 2 1 294.468 2.127 20 0 CEADMP Cc1c[nH+]ccc1Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001174539306 816026569 /nfs/dbraw/zinc/02/65/69/816026569.db2.gz BPFLNEQIUFFJNB-UHFFFAOYSA-N 2 1 296.418 2.303 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175296425 816162339 /nfs/dbraw/zinc/16/23/39/816162339.db2.gz ONCRKULFTMCEEN-AWEZNQCLSA-N 2 1 285.476 2.249 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4c(c3)ncn4C)C[C@@H]2C1 ZINC001140511410 816274316 /nfs/dbraw/zinc/27/43/16/816274316.db2.gz GCBFLGYUGDRNSQ-HOTGVXAUSA-N 2 1 298.434 2.347 20 0 CEADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2cnco2)C1 ZINC001140933310 816416718 /nfs/dbraw/zinc/41/67/18/816416718.db2.gz RFCLJBVPQOIZPB-LBPRGKRZSA-N 2 1 259.309 2.031 20 0 CEADMP C[N@@H+]1CCC2(C1)CCN(Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001276404046 816428502 /nfs/dbraw/zinc/42/85/02/816428502.db2.gz NIHDUKXAQAGQPG-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP C[N@H+]1CCC2(C1)CCN(Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001276404046 816428507 /nfs/dbraw/zinc/42/85/07/816428507.db2.gz NIHDUKXAQAGQPG-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC(C2CC[NH+](Cc3ncco3)CC2)CC1 ZINC001141007287 816439602 /nfs/dbraw/zinc/43/96/02/816439602.db2.gz GEGJHEDSAXCDPF-UHFFFAOYSA-N 2 1 263.385 2.228 20 0 CEADMP c1nn(CC[NH+]2CCCC2)cc1Nc1c[nH+]c2ccccn12 ZINC001176558883 816441697 /nfs/dbraw/zinc/44/16/97/816441697.db2.gz ORFPTABCPRSGTH-UHFFFAOYSA-N 2 1 296.378 2.370 20 0 CEADMP CCCCC[NH2+]CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001176856274 816492254 /nfs/dbraw/zinc/49/22/54/816492254.db2.gz IZXBIHAPMQVPLN-GASCZTMLSA-N 2 1 283.460 2.145 20 0 CEADMP CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203103554 816500581 /nfs/dbraw/zinc/50/05/81/816500581.db2.gz LKPBGRQQBWYVNQ-KBPBESRZSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](CCOC(=O)c2ccccc2)CC1 ZINC001206297664 816539747 /nfs/dbraw/zinc/53/97/47/816539747.db2.gz ZQLYKWUXELEAEA-QGZVFWFLSA-N 2 1 290.407 2.294 20 0 CEADMP Cn1cc2c(cccc2C[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC001142440726 816666940 /nfs/dbraw/zinc/66/69/40/816666940.db2.gz DGECBYPJWCGZRB-UHFFFAOYSA-N 2 1 272.396 2.099 20 0 CEADMP Cn1cc2c(cccc2C[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC001142440726 816666944 /nfs/dbraw/zinc/66/69/44/816666944.db2.gz DGECBYPJWCGZRB-UHFFFAOYSA-N 2 1 272.396 2.099 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ncn3ccccc23)CC1 ZINC001206317249 816678487 /nfs/dbraw/zinc/67/84/87/816678487.db2.gz DNGDDPQGPYGGJJ-MRXNPFEDSA-N 2 1 272.396 2.285 20 0 CEADMP COCc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001206317576 816689868 /nfs/dbraw/zinc/68/98/68/816689868.db2.gz HTRDXWBYBVNPTR-INIZCTEOSA-N 2 1 277.412 2.179 20 0 CEADMP CC(C)CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178359353 816731059 /nfs/dbraw/zinc/73/10/59/816731059.db2.gz GPASFYFEBYUOHK-JYJNAYRXSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+](C)C1CC[NH+](Cc2ccnc3[nH]ccc32)CC1 ZINC001142883345 816748474 /nfs/dbraw/zinc/74/84/74/816748474.db2.gz AWTUOBVAQJIGHP-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC[N@@H+](C)C1CC[NH+](Cc2ccnc3[nH]ccc32)CC1 ZINC001142883345 816748477 /nfs/dbraw/zinc/74/84/77/816748477.db2.gz AWTUOBVAQJIGHP-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CCCCC[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161226734 816818540 /nfs/dbraw/zinc/81/85/40/816818540.db2.gz NXGNYIVWGQEHGK-UHFFFAOYSA-N 2 1 271.449 2.003 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCCC[C@](F)(C[NH3+])C2)c1C ZINC001206378282 816855681 /nfs/dbraw/zinc/85/56/81/816855681.db2.gz DSGKYRYPCPIHGD-INIZCTEOSA-N 2 1 295.402 2.360 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351472550 282085302 /nfs/dbraw/zinc/08/53/02/282085302.db2.gz BBHGGLHMQGYJTH-MELADBBJSA-N 2 1 282.391 2.107 20 0 CEADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000449085538 282093899 /nfs/dbraw/zinc/09/38/99/282093899.db2.gz ODPCWCBJNBSRHC-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP COCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000124654287 187147763 /nfs/dbraw/zinc/14/77/63/187147763.db2.gz OQNGCDUQCLWVEP-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP COCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000124654287 187147764 /nfs/dbraw/zinc/14/77/64/187147764.db2.gz OQNGCDUQCLWVEP-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000337504406 214125721 /nfs/dbraw/zinc/12/57/21/214125721.db2.gz DOKWNPABLMOERE-MRXNPFEDSA-N 2 1 279.472 2.326 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000124936529 187161920 /nfs/dbraw/zinc/16/19/20/187161920.db2.gz ARLREKIUKLGNGY-ZDUSSCGKSA-N 2 1 263.385 2.195 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cncs2)CC1 ZINC000121762631 365611719 /nfs/dbraw/zinc/61/17/19/365611719.db2.gz FJNSPWBGZWBPCT-UHFFFAOYSA-N 2 1 276.409 2.331 20 0 CEADMP CCn1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cn1 ZINC000121764096 365611885 /nfs/dbraw/zinc/61/18/85/365611885.db2.gz SEFVSKGOBBYXAG-UHFFFAOYSA-N 2 1 287.411 2.091 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cncc(OCC)c2)C1 ZINC000621330541 349563078 /nfs/dbraw/zinc/56/30/78/349563078.db2.gz RFFBYNBMWJBRPA-CQSZACIVSA-N 2 1 277.412 2.302 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cncc(OCC)c2)C1 ZINC000621330541 349563083 /nfs/dbraw/zinc/56/30/83/349563083.db2.gz RFFBYNBMWJBRPA-CQSZACIVSA-N 2 1 277.412 2.302 20 0 CEADMP CCOC(=O)CCCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601333453 346822795 /nfs/dbraw/zinc/82/27/95/346822795.db2.gz DISIDMMOVUIDOT-CABCVRRESA-N 2 1 282.428 2.184 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601333453 346822798 /nfs/dbraw/zinc/82/27/98/346822798.db2.gz DISIDMMOVUIDOT-CABCVRRESA-N 2 1 282.428 2.184 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CCc1ccccc1 ZINC000305140248 282132993 /nfs/dbraw/zinc/13/29/93/282132993.db2.gz PVBPRVGLXZCEKI-KZNAEPCWSA-N 2 1 290.451 2.300 20 0 CEADMP C[N@@H+](CCOc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000036300525 361839758 /nfs/dbraw/zinc/83/97/58/361839758.db2.gz QSRWVADJDTUENL-UHFFFAOYSA-N 2 1 268.788 2.403 20 0 CEADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000037901340 361961448 /nfs/dbraw/zinc/96/14/48/361961448.db2.gz MIQJJYYIVHGGMG-HIFRSBDPSA-N 2 1 283.460 2.131 20 0 CEADMP CCC1(C[NH2+]CCCn2cc[nH+]c2C)CCOCC1 ZINC000337944883 214325503 /nfs/dbraw/zinc/32/55/03/214325503.db2.gz GKTKMJAHLIAJAJ-UHFFFAOYSA-N 2 1 265.401 2.378 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000337948814 214326854 /nfs/dbraw/zinc/32/68/54/214326854.db2.gz JSASQSPFSVIKLN-FQEVSTJZSA-N 2 1 291.420 2.109 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337992749 214349635 /nfs/dbraw/zinc/34/96/35/214349635.db2.gz ZGHGJIFCXBIULI-DLBZAZTESA-N 2 1 279.472 2.182 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1(C)C ZINC000338010213 214358683 /nfs/dbraw/zinc/35/86/83/214358683.db2.gz JAYIFUABRURPAF-JKSUJKDBSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H](Cc1ccoc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000449281877 282170368 /nfs/dbraw/zinc/17/03/68/282170368.db2.gz FVYLFNVAIPVKLT-LSDHHAIUSA-N 2 1 280.412 2.301 20 0 CEADMP C[C@@H](Cc1ccoc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000449281877 282170370 /nfs/dbraw/zinc/17/03/70/282170370.db2.gz FVYLFNVAIPVKLT-LSDHHAIUSA-N 2 1 280.412 2.301 20 0 CEADMP C[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000449318506 282186339 /nfs/dbraw/zinc/18/63/39/282186339.db2.gz GRSMQLLSDFUKIC-WCVJEAGWSA-N 2 1 295.471 2.131 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc3c(c1)CCC3)C2 ZINC000621782036 349700883 /nfs/dbraw/zinc/70/08/83/349700883.db2.gz LSQHTYNSUTURBN-DLBZAZTESA-N 2 1 256.393 2.489 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc3c(c1)CCC3)C2 ZINC000621782036 349700886 /nfs/dbraw/zinc/70/08/86/349700886.db2.gz LSQHTYNSUTURBN-DLBZAZTESA-N 2 1 256.393 2.489 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1)C1CCCC1 ZINC000621784429 349701973 /nfs/dbraw/zinc/70/19/73/349701973.db2.gz OSVPJJFLHUSSOJ-RRFJBIMHSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCCC[NH3+])C1 ZINC000567730430 299082875 /nfs/dbraw/zinc/08/28/75/299082875.db2.gz AMUKVTCFQSSUMH-JKSUJKDBSA-N 2 1 295.471 2.228 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000668675749 539233644 /nfs/dbraw/zinc/23/36/44/539233644.db2.gz HRMWTKLCMNCRNK-HZPDHXFCSA-N 2 1 274.408 2.469 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000221927656 539222804 /nfs/dbraw/zinc/22/28/04/539222804.db2.gz RGYOAQKMDKQPHS-AWEZNQCLSA-N 3 1 255.450 2.037 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1cccc3c1CCC3)C2 ZINC000622004167 349764614 /nfs/dbraw/zinc/76/46/14/349764614.db2.gz LNOBNVNLKUSGHO-DOTOQJQBSA-N 2 1 256.393 2.489 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1cccc3c1CCC3)C2 ZINC000622004167 349764616 /nfs/dbraw/zinc/76/46/16/349764616.db2.gz LNOBNVNLKUSGHO-DOTOQJQBSA-N 2 1 256.393 2.489 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCOc3ccccc31)C2 ZINC000622004537 349764865 /nfs/dbraw/zinc/76/48/65/349764865.db2.gz QGGMRLPHYCQHOI-ZQIUZPCESA-N 2 1 272.392 2.366 20 0 CEADMP CCc1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC000352705116 529653316 /nfs/dbraw/zinc/65/33/16/529653316.db2.gz KBAHSWNWFXPSTD-CQSZACIVSA-N 2 1 270.380 2.193 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CCOC2)CC1 ZINC000677820099 539270259 /nfs/dbraw/zinc/27/02/59/539270259.db2.gz XSFRPLBQLYSTGZ-UHFFFAOYSA-N 2 1 263.385 2.084 20 0 CEADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166654258 539272200 /nfs/dbraw/zinc/27/22/00/539272200.db2.gz CDEUEHYYUNDXMS-TUKIKUTGSA-N 2 1 277.412 2.439 20 0 CEADMP Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)nc(C)[nH+]1 ZINC000133494336 539273142 /nfs/dbraw/zinc/27/31/42/539273142.db2.gz TZKYDKOKKXPZQW-KGLIPLIRSA-N 2 1 260.385 2.014 20 0 CEADMP Cc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)nc(C)[nH+]1 ZINC000133494336 539273143 /nfs/dbraw/zinc/27/31/43/539273143.db2.gz TZKYDKOKKXPZQW-KGLIPLIRSA-N 2 1 260.385 2.014 20 0 CEADMP C[N@H+](CCC[NH+]1CCCCC1)CCc1ccncc1 ZINC000041352610 362030069 /nfs/dbraw/zinc/03/00/69/362030069.db2.gz IEVMFXDZUKIVGE-UHFFFAOYSA-N 2 1 261.413 2.432 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)CCc1ccncc1 ZINC000041352610 362030075 /nfs/dbraw/zinc/03/00/75/362030075.db2.gz IEVMFXDZUKIVGE-UHFFFAOYSA-N 2 1 261.413 2.432 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)cn1 ZINC000126330125 187233805 /nfs/dbraw/zinc/23/38/05/187233805.db2.gz OPYZCNYEJJMGML-WFASDCNBSA-N 2 1 286.379 2.090 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000336606775 365711362 /nfs/dbraw/zinc/71/13/62/365711362.db2.gz NAXKLRHCFMGREV-IUODEOHRSA-N 2 1 270.380 2.246 20 0 CEADMP COCC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126473336 187242503 /nfs/dbraw/zinc/24/25/03/187242503.db2.gz QDRPEHTUWAWPFU-GFCCVEGCSA-N 2 1 274.368 2.090 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000235415550 539298621 /nfs/dbraw/zinc/29/86/21/539298621.db2.gz BYLCMCIABFOHFS-KBPBESRZSA-N 2 1 252.402 2.149 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccco1 ZINC000353456732 282248870 /nfs/dbraw/zinc/24/88/70/282248870.db2.gz WSNITJZGEKSUQN-ZJIFWQFVSA-N 2 1 291.439 2.345 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCOCC1 ZINC000675880596 539306472 /nfs/dbraw/zinc/30/64/72/539306472.db2.gz GGZYQDUCMUZXCQ-PBHICJAKSA-N 2 1 296.455 2.035 20 0 CEADMP CCC1(O)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351179136 219084291 /nfs/dbraw/zinc/08/42/91/219084291.db2.gz DBVRJYSYTBDSOE-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC000449507109 282262937 /nfs/dbraw/zinc/26/29/37/282262937.db2.gz DNRJMEFXNZOLEN-HZPDHXFCSA-N 2 1 270.461 2.349 20 0 CEADMP CO[C@H]1C[C@@H]([NH+](C)CCCCC[N@H+](C)[C@H]2C[C@@H](OC)C2)C1 ZINC000510091346 539317242 /nfs/dbraw/zinc/31/72/42/539317242.db2.gz DFLBAMPNEDALMF-HMQPTBHHSA-N 2 1 298.471 2.375 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCOCc1ccccc1 ZINC000336703046 365767920 /nfs/dbraw/zinc/76/79/20/365767920.db2.gz FUXDLQPQKGGGGO-MRXNPFEDSA-N 2 1 262.397 2.277 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCOCc1ccccc1 ZINC000336703046 365767928 /nfs/dbraw/zinc/76/79/28/365767928.db2.gz FUXDLQPQKGGGGO-MRXNPFEDSA-N 2 1 262.397 2.277 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC[C@H](C)[NH+](C)C)C1 ZINC000449556417 282282004 /nfs/dbraw/zinc/28/20/04/282282004.db2.gz MIVCSNGJMWWKPF-ZMSDIMECSA-N 2 1 275.440 2.362 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@H](C)[NH+](C)C)C1 ZINC000449556417 282282007 /nfs/dbraw/zinc/28/20/07/282282007.db2.gz MIVCSNGJMWWKPF-ZMSDIMECSA-N 2 1 275.440 2.362 20 0 CEADMP CCCC[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000127945098 187342375 /nfs/dbraw/zinc/34/23/75/187342375.db2.gz XDEBPAXAMKITRE-DLBZAZTESA-N 2 1 279.472 2.467 20 0 CEADMP Cc1cc(C)n2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cnc2n1 ZINC000449561640 282283696 /nfs/dbraw/zinc/28/36/96/282283696.db2.gz WOFCIYJIHUGGIL-GOOCMWNKSA-N 2 1 299.422 2.061 20 0 CEADMP Cc1cc(C)n2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cnc2n1 ZINC000449561640 282283699 /nfs/dbraw/zinc/28/36/99/282283699.db2.gz WOFCIYJIHUGGIL-GOOCMWNKSA-N 2 1 299.422 2.061 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000336718264 365782283 /nfs/dbraw/zinc/78/22/83/365782283.db2.gz RKABHSMJDBLFNZ-QYZOEREBSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336718264 365782290 /nfs/dbraw/zinc/78/22/90/365782290.db2.gz RKABHSMJDBLFNZ-QYZOEREBSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336718264 365782294 /nfs/dbraw/zinc/78/22/94/365782294.db2.gz RKABHSMJDBLFNZ-QYZOEREBSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336718264 365782297 /nfs/dbraw/zinc/78/22/97/365782297.db2.gz RKABHSMJDBLFNZ-QYZOEREBSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336718264 365782301 /nfs/dbraw/zinc/78/23/01/365782301.db2.gz RKABHSMJDBLFNZ-QYZOEREBSA-N 2 1 299.462 2.477 20 0 CEADMP Cc1cc(CO)cc(N2CCC([NH+]3CCCCC3)CC2)[nH+]1 ZINC000228447464 539341548 /nfs/dbraw/zinc/34/15/48/539341548.db2.gz BNURYOHKWMFJCF-UHFFFAOYSA-N 2 1 289.423 2.337 20 0 CEADMP CCCC[N@H+](C)CCNc1cc[nH+]cc1Br ZINC000336739755 365794446 /nfs/dbraw/zinc/79/44/46/365794446.db2.gz PKGRIRAUIZFZCQ-UHFFFAOYSA-N 2 1 286.217 2.410 20 0 CEADMP CCCC[N@@H+](C)CCNc1cc[nH+]cc1Br ZINC000336739755 365794450 /nfs/dbraw/zinc/79/44/50/365794450.db2.gz PKGRIRAUIZFZCQ-UHFFFAOYSA-N 2 1 286.217 2.410 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H]3CCc4ccc(F)cc43)C[C@H]12 ZINC000351496715 219105676 /nfs/dbraw/zinc/10/56/76/219105676.db2.gz SADHVUBFGVFMBX-CAPXZKIUSA-N 2 1 260.356 2.482 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1F ZINC000228601699 539350485 /nfs/dbraw/zinc/35/04/85/539350485.db2.gz RXZYJGQNTSKPLH-IACUBPJLSA-N 2 1 278.371 2.394 20 0 CEADMP CCC[N@@H+](C[C@@H]1CCCC[C@@H]1O)C1CC[NH2+]CC1 ZINC000328512532 539352211 /nfs/dbraw/zinc/35/22/11/539352211.db2.gz OFFWONYUPSKOAO-ZFWWWQNUSA-N 2 1 254.418 2.002 20 0 CEADMP C[NH+](C)CC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351533427 219118263 /nfs/dbraw/zinc/11/82/63/219118263.db2.gz NLDDPIYNWUZBMS-MRXNPFEDSA-N 3 1 267.461 2.134 20 0 CEADMP CN1CCCC[C@@H]1CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000351533427 219118264 /nfs/dbraw/zinc/11/82/64/219118264.db2.gz NLDDPIYNWUZBMS-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP CC[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109638 343880926 /nfs/dbraw/zinc/88/09/26/343880926.db2.gz IFQPHFKROBIZPI-DLBZAZTESA-N 2 1 276.424 2.211 20 0 CEADMP CC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109638 343880928 /nfs/dbraw/zinc/88/09/28/343880928.db2.gz IFQPHFKROBIZPI-DLBZAZTESA-N 2 1 276.424 2.211 20 0 CEADMP CC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109638 343880930 /nfs/dbraw/zinc/88/09/30/343880930.db2.gz IFQPHFKROBIZPI-DLBZAZTESA-N 2 1 276.424 2.211 20 0 CEADMP CN(C)c1nc(NCC[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000077192995 343910245 /nfs/dbraw/zinc/91/02/45/343910245.db2.gz IBJJJTMAWYYXAG-UHFFFAOYSA-N 2 1 285.395 2.087 20 0 CEADMP CN(C)c1nc(NCC[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000077192995 343910247 /nfs/dbraw/zinc/91/02/47/343910247.db2.gz IBJJJTMAWYYXAG-UHFFFAOYSA-N 2 1 285.395 2.087 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)N2CCC[C@@H]2C)C1 ZINC000081516287 344055508 /nfs/dbraw/zinc/05/55/08/344055508.db2.gz VNGWBFKRMWPVKA-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)N2CCC[C@@H]2C)C1 ZINC000081516287 344055510 /nfs/dbraw/zinc/05/55/10/344055510.db2.gz VNGWBFKRMWPVKA-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)N2CCC[C@@H]2C)C1 ZINC000081516287 344055513 /nfs/dbraw/zinc/05/55/13/344055513.db2.gz VNGWBFKRMWPVKA-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP COCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000088568316 344111785 /nfs/dbraw/zinc/11/17/85/344111785.db2.gz WMIMFDMNAKDQBF-MRXNPFEDSA-N 2 1 262.397 2.264 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1nccs1 ZINC000091723107 344170639 /nfs/dbraw/zinc/17/06/39/344170639.db2.gz IVWHYSJCVAERSY-QWHCGFSZSA-N 2 1 283.441 2.031 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000089667066 344127226 /nfs/dbraw/zinc/12/72/26/344127226.db2.gz XYUVIWHSQXJKKH-STQMWFEESA-N 2 1 293.480 2.494 20 0 CEADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000093298327 344218597 /nfs/dbraw/zinc/21/85/97/344218597.db2.gz IXBHIQSUDNXJEX-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP COC(=O)C(C)(C)[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000093298327 344218599 /nfs/dbraw/zinc/21/85/99/344218599.db2.gz IXBHIQSUDNXJEX-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP COC(=O)C(C)(C)[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000093298327 344218602 /nfs/dbraw/zinc/21/86/02/344218602.db2.gz IXBHIQSUDNXJEX-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](CO)C1 ZINC000092764204 344202952 /nfs/dbraw/zinc/20/29/52/344202952.db2.gz PUSALMWZNDOPBI-KRWDZBQOSA-N 2 1 290.451 2.459 20 0 CEADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](CO)C1 ZINC000092764204 344202953 /nfs/dbraw/zinc/20/29/53/344202953.db2.gz PUSALMWZNDOPBI-KRWDZBQOSA-N 2 1 290.451 2.459 20 0 CEADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](CO)C1 ZINC000092764204 344202954 /nfs/dbraw/zinc/20/29/54/344202954.db2.gz PUSALMWZNDOPBI-KRWDZBQOSA-N 2 1 290.451 2.459 20 0 CEADMP Cc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)s1 ZINC000105476835 344256847 /nfs/dbraw/zinc/25/68/47/344256847.db2.gz FNLGVKQIMJSMFR-UHFFFAOYSA-N 2 1 281.469 2.174 20 0 CEADMP C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000111824628 344271915 /nfs/dbraw/zinc/27/19/15/344271915.db2.gz SIYBKZLKUKKETC-SJLPKXTDSA-N 2 1 287.451 2.192 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c(OC)c1 ZINC000112800233 344275207 /nfs/dbraw/zinc/27/52/07/344275207.db2.gz KEXIPRJQFJBQAP-YPMHNXCESA-N 2 1 264.369 2.015 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c(OC)c1 ZINC000112800233 344275209 /nfs/dbraw/zinc/27/52/09/344275209.db2.gz KEXIPRJQFJBQAP-YPMHNXCESA-N 2 1 264.369 2.015 20 0 CEADMP CCOC(=O)C1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000049826340 362378214 /nfs/dbraw/zinc/37/82/14/362378214.db2.gz ZQEAPGFUCUTCLQ-OAHLLOKOSA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000049826340 362378218 /nfs/dbraw/zinc/37/82/18/362378218.db2.gz ZQEAPGFUCUTCLQ-OAHLLOKOSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCOc1ccc(F)cc1 ZINC000124503430 344314686 /nfs/dbraw/zinc/31/46/86/344314686.db2.gz SUIMWXUBWTZOCT-OCCSQVGLSA-N 2 1 266.360 2.406 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000129097153 344340364 /nfs/dbraw/zinc/34/03/64/344340364.db2.gz ZUOGVAJDYNZZPH-NEPJUHHUSA-N 2 1 295.814 2.480 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000130054069 344349572 /nfs/dbraw/zinc/34/95/72/344349572.db2.gz FDQKSJYCVKLJHS-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000130588416 344353881 /nfs/dbraw/zinc/35/38/81/344353881.db2.gz ZWRKFMVXSKVJNS-IAQYHMDHSA-N 2 1 286.379 2.095 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000228596399 344561595 /nfs/dbraw/zinc/56/15/95/344561595.db2.gz PMKJTVLAWMIPNW-LBPRGKRZSA-N 2 1 278.371 2.408 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000228596399 344561596 /nfs/dbraw/zinc/56/15/96/344561596.db2.gz PMKJTVLAWMIPNW-LBPRGKRZSA-N 2 1 278.371 2.408 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000262679443 344655615 /nfs/dbraw/zinc/65/56/15/344655615.db2.gz WAULSOZATDYDNE-HZPDHXFCSA-N 2 1 289.423 2.019 20 0 CEADMP C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000247079747 344619374 /nfs/dbraw/zinc/61/93/74/344619374.db2.gz OTBXWDFVBVCWRM-WRQOLXDDSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H](CN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000247079747 344619376 /nfs/dbraw/zinc/61/93/76/344619376.db2.gz OTBXWDFVBVCWRM-WRQOLXDDSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H](CN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000247079747 344619377 /nfs/dbraw/zinc/61/93/77/344619377.db2.gz OTBXWDFVBVCWRM-WRQOLXDDSA-N 2 1 281.488 2.425 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000417984040 530049139 /nfs/dbraw/zinc/04/91/39/530049139.db2.gz GFEZWYZWGQSLPW-IRXDYDNUSA-N 2 1 288.435 2.227 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000568051049 299113798 /nfs/dbraw/zinc/11/37/98/299113798.db2.gz UUHLXUQNZHXZRQ-MSOLQXFVSA-N 2 1 290.451 2.220 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CC[C@H](C)O2)CC1 ZINC000336784273 365802840 /nfs/dbraw/zinc/80/28/40/365802840.db2.gz NWRJCYMGNFXSLG-ZFWWWQNUSA-N 2 1 254.418 2.359 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000568164939 299118502 /nfs/dbraw/zinc/11/85/02/299118502.db2.gz DFMUVRDRXQBLSO-SOUVJXGZSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000568164939 299118507 /nfs/dbraw/zinc/11/85/07/299118507.db2.gz DFMUVRDRXQBLSO-SOUVJXGZSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000568164939 299118498 /nfs/dbraw/zinc/11/84/98/299118498.db2.gz DFMUVRDRXQBLSO-SOUVJXGZSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000568164939 299118500 /nfs/dbraw/zinc/11/85/00/299118500.db2.gz DFMUVRDRXQBLSO-SOUVJXGZSA-N 2 1 256.434 2.200 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC3=CCCC3)C2)CC1 ZINC000592070114 345318436 /nfs/dbraw/zinc/31/84/36/345318436.db2.gz HABUHRINLRUBGO-KRWDZBQOSA-N 2 1 277.456 2.197 20 0 CEADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000591577228 345265283 /nfs/dbraw/zinc/26/52/83/345265283.db2.gz CZIHDNBVSWTYSM-UKRRQHHQSA-N 2 1 282.428 2.230 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1SC ZINC000592377485 345348231 /nfs/dbraw/zinc/34/82/31/345348231.db2.gz YLAAKKNDCUGLHG-KHMAMNHCSA-N 2 1 284.469 2.112 20 0 CEADMP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492324 345360361 /nfs/dbraw/zinc/36/03/61/345360361.db2.gz YJCHMKPVCDEALZ-BZUAXINKSA-N 2 1 296.455 2.430 20 0 CEADMP COC(=O)c1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c(C)o1 ZINC000594600963 345657042 /nfs/dbraw/zinc/65/70/42/345657042.db2.gz PQQAETCTTHZBGR-LBPRGKRZSA-N 2 1 294.395 2.196 20 0 CEADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000594510660 345640636 /nfs/dbraw/zinc/64/06/36/345640636.db2.gz AHOFSCQBNOYKRP-AWEZNQCLSA-N 2 1 284.444 2.284 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cn[nH]c1 ZINC000336786298 365805958 /nfs/dbraw/zinc/80/59/58/365805958.db2.gz HLNLWUNVLCIBNO-CHWSQXEVSA-N 2 1 250.390 2.325 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cn[nH]c1 ZINC000336786298 365805961 /nfs/dbraw/zinc/80/59/61/365805961.db2.gz HLNLWUNVLCIBNO-CHWSQXEVSA-N 2 1 250.390 2.325 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)CC(=O)OC)CC1 ZINC000595003094 345724024 /nfs/dbraw/zinc/72/40/24/345724024.db2.gz CZCWNRKDEZYSRC-ZDUSSCGKSA-N 2 1 284.444 2.428 20 0 CEADMP C[C@H](CSCCF)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000595007846 345725156 /nfs/dbraw/zinc/72/51/56/345725156.db2.gz PVLFSMSVFSCLOR-VXGBXAGGSA-N 2 1 260.422 2.152 20 0 CEADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000595331284 345762960 /nfs/dbraw/zinc/76/29/60/345762960.db2.gz UNOREUYQDXTQOJ-RBSFLKMASA-N 2 1 288.501 2.294 20 0 CEADMP CCS[C@@H]1CC[C@@H]([NH+](C)C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000595331284 345762964 /nfs/dbraw/zinc/76/29/64/345762964.db2.gz UNOREUYQDXTQOJ-RBSFLKMASA-N 2 1 288.501 2.294 20 0 CEADMP CCS[C@@H]1CC[C@@H]([NH+](C)C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000595331284 345762965 /nfs/dbraw/zinc/76/29/65/345762965.db2.gz UNOREUYQDXTQOJ-RBSFLKMASA-N 2 1 288.501 2.294 20 0 CEADMP CCS[C@@H]1CCCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000595884900 345906501 /nfs/dbraw/zinc/90/65/01/345906501.db2.gz IWFIHCKKPJUWFN-UONOGXRCSA-N 2 1 284.469 2.115 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000596095876 345938914 /nfs/dbraw/zinc/93/89/14/345938914.db2.gz QPZOCSFJNBUMIR-FHERZECASA-N 2 1 294.439 2.040 20 0 CEADMP CSC1(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CCC1 ZINC000597248467 346161728 /nfs/dbraw/zinc/16/17/28/346161728.db2.gz WXBRYBOUNWJUMH-AWEZNQCLSA-N 2 1 286.485 2.315 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1cc2c(c(OC)c1)OCO2 ZINC000060816288 362669805 /nfs/dbraw/zinc/66/98/05/362669805.db2.gz JPSVWAMVWWJFNW-UHFFFAOYSA-N 2 1 294.395 2.245 20 0 CEADMP COc1ccc2c(c1)CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000568260650 299130886 /nfs/dbraw/zinc/13/08/86/299130886.db2.gz XFOBVZCADUXUEL-ZDUSSCGKSA-N 2 1 260.381 2.053 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000568260650 299130891 /nfs/dbraw/zinc/13/08/91/299130891.db2.gz XFOBVZCADUXUEL-ZDUSSCGKSA-N 2 1 260.381 2.053 20 0 CEADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000599070054 346455576 /nfs/dbraw/zinc/45/55/76/346455576.db2.gz JSJOSZIYIKGYGH-KBPBESRZSA-N 2 1 284.444 2.428 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000336791323 365813668 /nfs/dbraw/zinc/81/36/68/365813668.db2.gz NBHSMYVZLDUROF-LSDHHAIUSA-N 3 1 255.450 2.358 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000599312296 346496364 /nfs/dbraw/zinc/49/63/64/346496364.db2.gz GOIQDSPPOHKZHF-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000599312296 346496369 /nfs/dbraw/zinc/49/63/69/346496369.db2.gz GOIQDSPPOHKZHF-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000599312296 346496374 /nfs/dbraw/zinc/49/63/74/346496374.db2.gz GOIQDSPPOHKZHF-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCc1ccccc1C[NH+]1CCC([NH2+]CCOC)CC1 ZINC000568279829 299133449 /nfs/dbraw/zinc/13/34/49/299133449.db2.gz KODJGUVPBRMILB-UHFFFAOYSA-N 2 1 276.424 2.449 20 0 CEADMP COC(=O)CC1CCC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000600160914 346609973 /nfs/dbraw/zinc/60/99/73/346609973.db2.gz JYZHVAQAOIKSFW-PCKAHOCUSA-N 2 1 296.455 2.428 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C[C@@H]1C ZINC000600679318 346672491 /nfs/dbraw/zinc/67/24/91/346672491.db2.gz HUBZNFMCCBNJRV-XPABHHOTSA-N 2 1 282.428 2.084 20 0 CEADMP C[C@@H](O)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000336804514 365836916 /nfs/dbraw/zinc/83/69/16/365836916.db2.gz DLTVJBJYFAVJQW-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC000600980961 346725402 /nfs/dbraw/zinc/72/54/02/346725402.db2.gz QRDAXRHSUOLCCL-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000600980961 346725405 /nfs/dbraw/zinc/72/54/05/346725405.db2.gz QRDAXRHSUOLCCL-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000600980961 346725408 /nfs/dbraw/zinc/72/54/08/346725408.db2.gz QRDAXRHSUOLCCL-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000600980961 346725410 /nfs/dbraw/zinc/72/54/10/346725410.db2.gz QRDAXRHSUOLCCL-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000600980961 346725413 /nfs/dbraw/zinc/72/54/13/346725413.db2.gz QRDAXRHSUOLCCL-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336814655 365856406 /nfs/dbraw/zinc/85/64/06/365856406.db2.gz XRDJEMITOKNDHG-SRVKXCTJSA-N 2 1 282.350 2.416 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336814655 365856410 /nfs/dbraw/zinc/85/64/10/365856410.db2.gz XRDJEMITOKNDHG-SRVKXCTJSA-N 2 1 282.350 2.416 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCCc2nc(C)no2)CC1 ZINC000336821191 365869968 /nfs/dbraw/zinc/86/99/68/365869968.db2.gz GWKTWRHREFFCGR-UHFFFAOYSA-N 2 1 280.416 2.117 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000236917592 370655082 /nfs/dbraw/zinc/65/50/82/370655082.db2.gz HRKPHMHAUJNMON-CABCVRRESA-N 2 1 297.487 2.377 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000129577608 365873802 /nfs/dbraw/zinc/87/38/02/365873802.db2.gz AEAIJENPPZAKJX-YJBOKZPZSA-N 2 1 298.434 2.345 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2nc(C)cc2C)C[C@H]1C ZINC000336823858 365877002 /nfs/dbraw/zinc/87/70/02/365877002.db2.gz RPNMYMCMHLAYLZ-GDBMZVCRSA-N 2 1 278.444 2.305 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2nc(C)cc2C)C[C@H]1C ZINC000336823858 365877010 /nfs/dbraw/zinc/87/70/10/365877010.db2.gz RPNMYMCMHLAYLZ-GDBMZVCRSA-N 2 1 278.444 2.305 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2nc(C)cc2C)C[C@H]1C ZINC000336823858 365877020 /nfs/dbraw/zinc/87/70/20/365877020.db2.gz RPNMYMCMHLAYLZ-GDBMZVCRSA-N 2 1 278.444 2.305 20 0 CEADMP CCC(CC)(C[NH2+]C1CC[NH+](C2CC2)CC1)C(=O)OC ZINC000459477509 290159663 /nfs/dbraw/zinc/15/96/63/290159663.db2.gz HLQQZQUUUNUWIK-UHFFFAOYSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2CC[N@H+]2C2CCCC2)CC[NH+]1C ZINC000528007672 313223941 /nfs/dbraw/zinc/22/39/41/313223941.db2.gz BPXAGQNDUYRZTH-IJEWVQPXSA-N 2 1 265.445 2.076 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)on1 ZINC000336823542 365878392 /nfs/dbraw/zinc/87/83/92/365878392.db2.gz QBZKABJXCDDHCM-CYBMUJFWSA-N 2 1 274.368 2.171 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)on1 ZINC000336823542 365878393 /nfs/dbraw/zinc/87/83/93/365878393.db2.gz QBZKABJXCDDHCM-CYBMUJFWSA-N 2 1 274.368 2.171 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)C[C@H]1c1ccccc1 ZINC000453418363 539562226 /nfs/dbraw/zinc/56/22/26/539562226.db2.gz WKCTXXXLNLZSBU-VVLHAWIVSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)C[C@H]1c1ccccc1 ZINC000453418363 539562231 /nfs/dbraw/zinc/56/22/31/539562231.db2.gz WKCTXXXLNLZSBU-VVLHAWIVSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000568511576 299141065 /nfs/dbraw/zinc/14/10/65/299141065.db2.gz YNMQGOXDZRBHBL-VXGBXAGGSA-N 2 1 258.369 2.292 20 0 CEADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)CC(C)C ZINC000606371347 347467783 /nfs/dbraw/zinc/46/77/83/347467783.db2.gz NEOAZKQAHIPVAN-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000351847564 219223309 /nfs/dbraw/zinc/22/33/09/219223309.db2.gz AMBAFARULLONBL-QWHCGFSZSA-N 2 1 280.437 2.456 20 0 CEADMP Fc1ccc(OCCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000336830593 365895454 /nfs/dbraw/zinc/89/54/54/365895454.db2.gz GXHMSSBZWPBUKG-CZUORRHYSA-N 2 1 278.371 2.278 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(F)c1 ZINC000299931869 539565380 /nfs/dbraw/zinc/56/53/80/539565380.db2.gz NRTGXYQDTDEUGI-DGCLKSJQSA-N 2 1 266.360 2.251 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(F)c1 ZINC000299931869 539565386 /nfs/dbraw/zinc/56/53/86/539565386.db2.gz NRTGXYQDTDEUGI-DGCLKSJQSA-N 2 1 266.360 2.251 20 0 CEADMP C/C(Cl)=C\C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000528372151 313246856 /nfs/dbraw/zinc/24/68/56/313246856.db2.gz FQEDUHVIAQKZON-YKAQBRKTSA-N 2 1 274.836 2.154 20 0 CEADMP Cn1cc[nH+]c1C[C@@H](NCc1ncc[nH]1)c1ccccc1 ZINC000608074500 347561208 /nfs/dbraw/zinc/56/12/08/347561208.db2.gz SXJQVRLSQXTERN-CQSZACIVSA-N 2 1 281.363 2.217 20 0 CEADMP CCOC(=O)CCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000609133487 347627471 /nfs/dbraw/zinc/62/74/71/347627471.db2.gz NIUVTTJBVKKNRZ-UHFFFAOYSA-N 2 1 284.444 2.382 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000336844118 365918624 /nfs/dbraw/zinc/91/86/24/365918624.db2.gz YJZYYCARAICJHS-LPWJVIDDSA-N 2 1 292.345 2.313 20 0 CEADMP CC(C)[C@@H](C[N@@H+]1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000339406527 215151236 /nfs/dbraw/zinc/15/12/36/215151236.db2.gz IZDFASBAIDDUPY-JKSUJKDBSA-N 2 1 262.397 2.086 20 0 CEADMP CC(C)[C@@H](C[N@H+]1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000339406527 215151239 /nfs/dbraw/zinc/15/12/39/215151239.db2.gz IZDFASBAIDDUPY-JKSUJKDBSA-N 2 1 262.397 2.086 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339408196 215152587 /nfs/dbraw/zinc/15/25/87/215152587.db2.gz VLERRVLGKAWYSQ-HNNXBMFYSA-N 2 1 274.408 2.095 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3ccc4c(c3)CCO4)C[C@@H]12 ZINC000339407981 215153414 /nfs/dbraw/zinc/15/34/14/215153414.db2.gz TWFKTAJIJGJCAF-BRWVUGGUSA-N 2 1 286.419 2.223 20 0 CEADMP C[N@H+]1CC[C@@H](NCCC[NH+]2CCCCC2)CC1(C)C ZINC000623342860 349993577 /nfs/dbraw/zinc/99/35/77/349993577.db2.gz RXIOMRBXJGASQV-OAHLLOKOSA-N 2 1 267.461 2.325 20 0 CEADMP C[N@H+]1CC[C@H](NCC[NH+]2CCCCCC2)CC1(C)C ZINC000623347989 349994986 /nfs/dbraw/zinc/99/49/86/349994986.db2.gz NRFZMVASLJIXDX-HNNXBMFYSA-N 2 1 267.461 2.325 20 0 CEADMP C[N@H+]1CC[C@@H](NCC[NH+]2CCCCCC2)CC1(C)C ZINC000623347990 349995088 /nfs/dbraw/zinc/99/50/88/349995088.db2.gz NRFZMVASLJIXDX-OAHLLOKOSA-N 2 1 267.461 2.325 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000616993652 348601365 /nfs/dbraw/zinc/60/13/65/348601365.db2.gz KXZDHRWNAFMMDH-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616993652 348601370 /nfs/dbraw/zinc/60/13/70/348601370.db2.gz KXZDHRWNAFMMDH-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616993652 348601373 /nfs/dbraw/zinc/60/13/73/348601373.db2.gz KXZDHRWNAFMMDH-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339064975 539659085 /nfs/dbraw/zinc/65/90/85/539659085.db2.gz AWMRAPFTNOVTIA-WBVHZDCISA-N 2 1 287.407 2.361 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339064975 539659087 /nfs/dbraw/zinc/65/90/87/539659087.db2.gz AWMRAPFTNOVTIA-WBVHZDCISA-N 2 1 287.407 2.361 20 0 CEADMP COCCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000339066187 539659193 /nfs/dbraw/zinc/65/91/93/539659193.db2.gz IMAPWCFIKPBFFT-CABCVRRESA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@H](C)[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506130 348718926 /nfs/dbraw/zinc/71/89/26/348718926.db2.gz AKYLLDKGZBAPBH-SOUVJXGZSA-N 2 1 285.476 2.057 20 0 CEADMP CC[C@H](C)[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506130 348718927 /nfs/dbraw/zinc/71/89/27/348718927.db2.gz AKYLLDKGZBAPBH-SOUVJXGZSA-N 2 1 285.476 2.057 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@](C)(O)C2CCCCC2)CC1 ZINC000357800595 233148777 /nfs/dbraw/zinc/14/87/77/233148777.db2.gz JPLWNMOCMHLWJC-KRWDZBQOSA-N 2 1 298.471 2.018 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)o1 ZINC000357792334 233145748 /nfs/dbraw/zinc/14/57/48/233145748.db2.gz KHQJVDZQGMIREH-ZIAGYGMSSA-N 2 1 263.385 2.050 20 0 CEADMP CC[NH+](CC)C[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000249927067 539710035 /nfs/dbraw/zinc/71/00/35/539710035.db2.gz CIDHYRBOTYHGQD-LXTVHRRPSA-N 2 1 255.450 2.035 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1F ZINC000401842763 233185748 /nfs/dbraw/zinc/18/57/48/233185748.db2.gz OUQAIPBOLKSJEL-LLVKDONJSA-N 2 1 277.343 2.461 20 0 CEADMP COc1ccccc1OCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250389104 539734754 /nfs/dbraw/zinc/73/47/54/539734754.db2.gz AZJGGXAUCHFAOY-GJZGRUSLSA-N 2 1 290.407 2.290 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000250479828 539743477 /nfs/dbraw/zinc/74/34/77/539743477.db2.gz VTUZHYAILJBJNH-BYNSBNAKSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623429815 350018233 /nfs/dbraw/zinc/01/82/33/350018233.db2.gz RFCXLHXIIKFDKJ-CHWSQXEVSA-N 2 1 256.434 2.246 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCC2)CC1(C)C ZINC000623453271 350024582 /nfs/dbraw/zinc/02/45/82/350024582.db2.gz GXJKACMRWFMUKL-ZDUSSCGKSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)CC1(C)C ZINC000623472169 350028362 /nfs/dbraw/zinc/02/83/62/350028362.db2.gz GXAIIZCXTFZQEX-QWHCGFSZSA-N 2 1 254.418 2.406 20 0 CEADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623484083 350031439 /nfs/dbraw/zinc/03/14/39/350031439.db2.gz CTDOYQMOSQNSPG-KGLIPLIRSA-N 2 1 268.445 2.246 20 0 CEADMP C[N@H+]1CCCC[C@H](CNCc2cccc3c2OCCO3)C1 ZINC000623655828 350074987 /nfs/dbraw/zinc/07/49/87/350074987.db2.gz GQHUHJQOAJQKOE-CQSZACIVSA-N 2 1 290.407 2.279 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000623655828 350074990 /nfs/dbraw/zinc/07/49/90/350074990.db2.gz GQHUHJQOAJQKOE-CQSZACIVSA-N 2 1 290.407 2.279 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000623655828 350074994 /nfs/dbraw/zinc/07/49/94/350074994.db2.gz GQHUHJQOAJQKOE-CQSZACIVSA-N 2 1 290.407 2.279 20 0 CEADMP COc1ccc(CNC[C@H]2CCCC[N@@H+](C)C2)cc1O ZINC000623654967 350075006 /nfs/dbraw/zinc/07/50/06/350075006.db2.gz LGJFUUZIMSKQAT-CQSZACIVSA-N 2 1 278.396 2.222 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1O ZINC000623654967 350075010 /nfs/dbraw/zinc/07/50/10/350075010.db2.gz LGJFUUZIMSKQAT-CQSZACIVSA-N 2 1 278.396 2.222 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1O ZINC000623654967 350075013 /nfs/dbraw/zinc/07/50/13/350075013.db2.gz LGJFUUZIMSKQAT-CQSZACIVSA-N 2 1 278.396 2.222 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000623656608 350076073 /nfs/dbraw/zinc/07/60/73/350076073.db2.gz YJZYNLZJKPMMLG-INIZCTEOSA-N 2 1 299.422 2.089 20 0 CEADMP CCOc1cccc(CNC[C@H]2CCCC[N@@H+](C)C2)n1 ZINC000623656130 350076175 /nfs/dbraw/zinc/07/61/75/350076175.db2.gz NUQUYUMCGKOMKV-CQSZACIVSA-N 2 1 277.412 2.302 20 0 CEADMP CO[C@@H]([C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623541521 350044922 /nfs/dbraw/zinc/04/49/22/350044922.db2.gz NNTUEKMNMAZGOL-XBFCOCLRSA-N 2 1 254.418 2.262 20 0 CEADMP CC1CCC(O)(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623575173 350055421 /nfs/dbraw/zinc/05/54/21/350055421.db2.gz OJCVPQUFGLAFNS-NPCAHTBFSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H](O)C[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411747229 233276727 /nfs/dbraw/zinc/27/67/27/233276727.db2.gz VQIDEKIKDBLXBP-OAHLLOKOSA-N 2 1 276.424 2.485 20 0 CEADMP O[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCc2ccccc21 ZINC000090779776 180039018 /nfs/dbraw/zinc/03/90/18/180039018.db2.gz MNKHRZAQQQQLIC-NUJGCVRESA-N 2 1 286.419 2.037 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623886670 350134364 /nfs/dbraw/zinc/13/43/64/350134364.db2.gz IFNUMEGMRMCMCA-NFAWXSAZSA-N 2 1 265.401 2.375 20 0 CEADMP CCC[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)OCC ZINC000624051027 350179798 /nfs/dbraw/zinc/17/97/98/350179798.db2.gz PQAZXHRJTWOBLU-JKSUJKDBSA-N 2 1 284.444 2.035 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121996 350200393 /nfs/dbraw/zinc/20/03/93/350200393.db2.gz HOEQHXTUCPBKSY-AAEUAGOBSA-N 2 1 250.390 2.101 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121996 350200396 /nfs/dbraw/zinc/20/03/96/350200396.db2.gz HOEQHXTUCPBKSY-AAEUAGOBSA-N 2 1 250.390 2.101 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120671 350199132 /nfs/dbraw/zinc/19/91/32/350199132.db2.gz DQGVTMGWIBACPY-OCCSQVGLSA-N 2 1 264.417 2.111 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120671 350199133 /nfs/dbraw/zinc/19/91/33/350199133.db2.gz DQGVTMGWIBACPY-OCCSQVGLSA-N 2 1 264.417 2.111 20 0 CEADMP C[C@H](CCc1ccco1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091665995 180222425 /nfs/dbraw/zinc/22/24/25/180222425.db2.gz YBLSLCQQGYAAIW-FMKPAKJESA-N 2 1 278.396 2.054 20 0 CEADMP C[C@H](CCc1ccco1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091665995 180222427 /nfs/dbraw/zinc/22/24/27/180222427.db2.gz YBLSLCQQGYAAIW-FMKPAKJESA-N 2 1 278.396 2.054 20 0 CEADMP Cc1nc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cs1 ZINC000105443292 186056638 /nfs/dbraw/zinc/05/66/38/186056638.db2.gz JWJYLQYYSIZEQS-SNVBAGLBSA-N 2 1 264.398 2.382 20 0 CEADMP COc1cncc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000625135256 350412095 /nfs/dbraw/zinc/41/20/95/350412095.db2.gz JMCUYJJOAKLUOV-UHFFFAOYSA-N 2 1 292.427 2.037 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C1CC1 ZINC000625371381 350482870 /nfs/dbraw/zinc/48/28/70/350482870.db2.gz NCRLMCGZKMBUPX-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP FC(F)(F)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107576308 186179963 /nfs/dbraw/zinc/17/99/63/186179963.db2.gz ACGKOYBVRVXQOU-TXEJJXNPSA-N 2 1 270.298 2.357 20 0 CEADMP FC(F)(F)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107576308 186179965 /nfs/dbraw/zinc/17/99/65/186179965.db2.gz ACGKOYBVRVXQOU-TXEJJXNPSA-N 2 1 270.298 2.357 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCF)CC1 ZINC000626070644 350648286 /nfs/dbraw/zinc/64/82/86/350648286.db2.gz WQSPIUHNFFTRMF-MRXNPFEDSA-N 2 1 285.451 2.227 20 0 CEADMP COc1cccc2c1CN(CC[C@H]1CCC[N@H+]1C)C2 ZINC000626022794 350632965 /nfs/dbraw/zinc/63/29/65/350632965.db2.gz KEUNECYWRYYUQN-CQSZACIVSA-N 2 1 260.381 2.495 20 0 CEADMP C/C=C\C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000626164018 350675419 /nfs/dbraw/zinc/67/54/19/350675419.db2.gz VEQKWEOLMJFBKP-PUFASFLSSA-N 2 1 266.429 2.120 20 0 CEADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000626164018 350675423 /nfs/dbraw/zinc/67/54/23/350675423.db2.gz VEQKWEOLMJFBKP-PUFASFLSSA-N 2 1 266.429 2.120 20 0 CEADMP C/C=C\C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000626164018 350675427 /nfs/dbraw/zinc/67/54/27/350675427.db2.gz VEQKWEOLMJFBKP-PUFASFLSSA-N 2 1 266.429 2.120 20 0 CEADMP C/C=C\C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000626164018 350675431 /nfs/dbraw/zinc/67/54/31/350675431.db2.gz VEQKWEOLMJFBKP-PUFASFLSSA-N 2 1 266.429 2.120 20 0 CEADMP CCC[C@@H](C)CCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000629513252 351383046 /nfs/dbraw/zinc/38/30/46/351383046.db2.gz XWCJGAWXFSHORE-OAHLLOKOSA-N 2 1 255.450 2.040 20 0 CEADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629520318 351385908 /nfs/dbraw/zinc/38/59/08/351385908.db2.gz GETWOCQUQNUVJP-CYBMUJFWSA-N 2 1 278.396 2.162 20 0 CEADMP COc1ccncc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000629532359 351396030 /nfs/dbraw/zinc/39/60/30/351396030.db2.gz WRPJGOSMGSKQGU-HUUCEWRRSA-N 2 1 289.423 2.302 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C[NH2+]1 ZINC000629541757 351403164 /nfs/dbraw/zinc/40/31/64/351403164.db2.gz VGUATHWHMVPWHM-CWVYHPPDSA-N 2 1 266.429 2.312 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(F)c(Cl)c2)CCOCC1 ZINC000629387328 351346195 /nfs/dbraw/zinc/34/61/95/351346195.db2.gz HSCFBTRGJCJRCK-UHFFFAOYSA-N 2 1 272.751 2.077 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000629406006 351353213 /nfs/dbraw/zinc/35/32/13/351353213.db2.gz HCQZVAFLLQSLDR-XJNFMUPTSA-N 2 1 273.424 2.162 20 0 CEADMP COCc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)o1 ZINC000629650578 351448450 /nfs/dbraw/zinc/44/84/50/351448450.db2.gz WQGREZOEDPPHQZ-CYBMUJFWSA-N 2 1 278.396 2.390 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629651125 351449978 /nfs/dbraw/zinc/44/99/78/351449978.db2.gz AAJNBYXNIGOKSG-CYBMUJFWSA-N 2 1 258.365 2.004 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629651125 351449981 /nfs/dbraw/zinc/44/99/81/351449981.db2.gz AAJNBYXNIGOKSG-CYBMUJFWSA-N 2 1 258.365 2.004 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)CC[NH2+]1 ZINC000629652982 351450893 /nfs/dbraw/zinc/45/08/93/351450893.db2.gz CYHRYLSKRRJIRH-SYQHCUMBSA-N 2 1 254.443 2.344 20 0 CEADMP COC1(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCCC1 ZINC000629655868 351452090 /nfs/dbraw/zinc/45/20/90/351452090.db2.gz XVCAGKUWXKEONM-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP c1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H]3[NH2+]CC[C@H]3C1)CO2 ZINC000629655840 351452560 /nfs/dbraw/zinc/45/25/60/351452560.db2.gz XLAWJJUMOZMXLN-HOTGVXAUSA-N 2 1 270.376 2.146 20 0 CEADMP c1ccc2c(c1)C=C(C[N@H+]1CC[C@@H]3[NH2+]CC[C@H]3C1)CO2 ZINC000629655840 351452565 /nfs/dbraw/zinc/45/25/65/351452565.db2.gz XLAWJJUMOZMXLN-HOTGVXAUSA-N 2 1 270.376 2.146 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000629547696 351407019 /nfs/dbraw/zinc/40/70/19/351407019.db2.gz FUZHIRIKWUHFSU-CZUORRHYSA-N 2 1 298.377 2.115 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000629547696 351407021 /nfs/dbraw/zinc/40/70/21/351407021.db2.gz FUZHIRIKWUHFSU-CZUORRHYSA-N 2 1 298.377 2.115 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)CC[C@@H]1C(F)(F)F ZINC000629561039 351414992 /nfs/dbraw/zinc/41/49/92/351414992.db2.gz GMKFSJHGKWZVCD-UPJWGTAASA-N 2 1 294.361 2.405 20 0 CEADMP Nc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629563802 351415499 /nfs/dbraw/zinc/41/54/99/351415499.db2.gz RCKLHSZJAOLFGW-DGCLKSJQSA-N 2 1 287.329 2.228 20 0 CEADMP Nc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629563802 351415502 /nfs/dbraw/zinc/41/55/02/351415502.db2.gz RCKLHSZJAOLFGW-DGCLKSJQSA-N 2 1 287.329 2.228 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000629563822 351415943 /nfs/dbraw/zinc/41/59/43/351415943.db2.gz REAKQBGMRHKOEO-FRRDWIJNSA-N 2 1 294.361 2.261 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000629571117 351418588 /nfs/dbraw/zinc/41/85/88/351418588.db2.gz PTSPNEXPUUZPHA-UHFFFAOYSA-N 2 1 274.767 2.147 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(C)sc1C ZINC000629570934 351419380 /nfs/dbraw/zinc/41/93/80/351419380.db2.gz HMSLEHYFDZTTOZ-UHFFFAOYSA-N 2 1 256.415 2.033 20 0 CEADMP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)CCOCC[NH3+])c1C ZINC000629576964 351421304 /nfs/dbraw/zinc/42/13/04/351421304.db2.gz WIRVHFYQMIFTGF-UHFFFAOYSA-N 2 1 292.423 2.222 20 0 CEADMP O[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000629581968 351422438 /nfs/dbraw/zinc/42/24/38/351422438.db2.gz KSTMPAJETGNGDV-APHBMKBZSA-N 2 1 294.826 2.447 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCCOc1ccccc1)C2 ZINC000629583498 351422851 /nfs/dbraw/zinc/42/28/51/351422851.db2.gz AZVLGWOMSOEUGR-CALCHBBNSA-N 2 1 274.408 2.387 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000629592321 351426103 /nfs/dbraw/zinc/42/61/03/351426103.db2.gz ADBXPVHZWGELKQ-HDICACEKSA-N 2 1 296.418 2.304 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000629592321 351426107 /nfs/dbraw/zinc/42/61/07/351426107.db2.gz ADBXPVHZWGELKQ-HDICACEKSA-N 2 1 296.418 2.304 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070169394 363042197 /nfs/dbraw/zinc/04/21/97/363042197.db2.gz UIROHNWIJMDXGX-AWEZNQCLSA-N 2 1 275.396 2.206 20 0 CEADMP [NH3+]CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000070188501 363050859 /nfs/dbraw/zinc/05/08/59/363050859.db2.gz JIKVKWDBVPNUCC-UHFFFAOYSA-N 2 1 295.814 2.339 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2nc(CC(C)C)no2)CC1 ZINC000070189938 363052134 /nfs/dbraw/zinc/05/21/34/363052134.db2.gz QXTFRWHZBMMXGH-UHFFFAOYSA-N 2 1 280.416 2.090 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCC3)c2)CC[N@@H+]1C ZINC000131365084 366045708 /nfs/dbraw/zinc/04/57/08/366045708.db2.gz OIWGRWMIYWFXIK-ZBFHGGJFSA-N 2 1 288.439 2.254 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCC3)c2)CC[N@H+]1C ZINC000131365084 366045716 /nfs/dbraw/zinc/04/57/16/366045716.db2.gz OIWGRWMIYWFXIK-ZBFHGGJFSA-N 2 1 288.439 2.254 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414127656 233755464 /nfs/dbraw/zinc/75/54/64/233755464.db2.gz SIJMIXZEMNTZPL-VNQPRFMTSA-N 2 1 296.842 2.488 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)ncn3C)CC[N@H+]1C ZINC000336497152 213371610 /nfs/dbraw/zinc/37/16/10/213371610.db2.gz HLCJOZXQUHEFTC-JSGCOSHPSA-N 2 1 272.396 2.146 20 0 CEADMP Cc1ccccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122462502 187033093 /nfs/dbraw/zinc/03/30/93/187033093.db2.gz ZZORYMUWPPCFHI-UHFFFAOYSA-N 2 1 275.440 2.064 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000122650661 187043918 /nfs/dbraw/zinc/04/39/18/187043918.db2.gz PXZZFUXQJQUPAH-ZBFHGGJFSA-N 3 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000122650661 187043919 /nfs/dbraw/zinc/04/39/19/187043919.db2.gz PXZZFUXQJQUPAH-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP COCC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000124099188 187122223 /nfs/dbraw/zinc/12/22/23/187122223.db2.gz DBBZMJKFGGXHMN-HNNXBMFYSA-N 2 1 292.423 2.033 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(CCOC)s2)C1 ZINC000631048932 351937664 /nfs/dbraw/zinc/93/76/64/351937664.db2.gz ALNKIIXHSBTVPO-CYBMUJFWSA-N 2 1 297.468 2.154 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(CCOC)s2)C1 ZINC000631048932 351937667 /nfs/dbraw/zinc/93/76/67/351937667.db2.gz ALNKIIXHSBTVPO-CYBMUJFWSA-N 2 1 297.468 2.154 20 0 CEADMP COC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195055 352010586 /nfs/dbraw/zinc/01/05/86/352010586.db2.gz AOSRSWJLKXBXJP-ZOBUZTSGSA-N 2 1 276.424 2.379 20 0 CEADMP COC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195054 352010875 /nfs/dbraw/zinc/01/08/75/352010875.db2.gz AOSRSWJLKXBXJP-YQQAZPJKSA-N 2 1 276.424 2.379 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631098764 351962681 /nfs/dbraw/zinc/96/26/81/351962681.db2.gz SBORNPPSDVTXBS-HNNXBMFYSA-N 2 1 277.412 2.245 20 0 CEADMP Cn1nc2c(c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1)CCCC2 ZINC000631180695 352003212 /nfs/dbraw/zinc/00/32/12/352003212.db2.gz IFBKAVKPFPEVRY-AWEZNQCLSA-N 2 1 290.455 2.120 20 0 CEADMP Cn1nc2c(c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CCCC2 ZINC000631180695 352003215 /nfs/dbraw/zinc/00/32/15/352003215.db2.gz IFBKAVKPFPEVRY-AWEZNQCLSA-N 2 1 290.455 2.120 20 0 CEADMP Brc1csc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000070599903 363100706 /nfs/dbraw/zinc/10/07/06/363100706.db2.gz YTMCPJWIUJGMRS-UHFFFAOYSA-N 2 1 275.215 2.352 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000237053253 539829463 /nfs/dbraw/zinc/82/94/63/539829463.db2.gz NBPIPZKVLCUENV-ZNMIVQPWSA-N 2 1 295.471 2.131 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2scnc2C)C1 ZINC000072858949 363172763 /nfs/dbraw/zinc/17/27/63/363172763.db2.gz SAQKGOODSHNRFO-ZDUSSCGKSA-N 2 1 267.442 2.268 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2scnc2C)C1 ZINC000072858949 363172766 /nfs/dbraw/zinc/17/27/66/363172766.db2.gz SAQKGOODSHNRFO-ZDUSSCGKSA-N 2 1 267.442 2.268 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2scnc2C)C1 ZINC000072858949 363172769 /nfs/dbraw/zinc/17/27/69/363172769.db2.gz SAQKGOODSHNRFO-ZDUSSCGKSA-N 2 1 267.442 2.268 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000094294765 539874761 /nfs/dbraw/zinc/87/47/61/539874761.db2.gz DNORISNTNDJLAM-UHFFFAOYSA-N 2 1 295.471 2.228 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000271564850 191214546 /nfs/dbraw/zinc/21/45/46/191214546.db2.gz UVZGDYPIPBRZGY-JQFCIGGWSA-N 2 1 294.414 2.049 20 0 CEADMP COc1ccc(CC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292274593 198227646 /nfs/dbraw/zinc/22/76/46/198227646.db2.gz ZZODGIAQLRYWBH-QGZVFWFLSA-N 2 1 274.408 2.265 20 0 CEADMP COc1ccc(CC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292274593 198227647 /nfs/dbraw/zinc/22/76/47/198227647.db2.gz ZZODGIAQLRYWBH-QGZVFWFLSA-N 2 1 274.408 2.265 20 0 CEADMP COc1ccc(CC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292274593 198227649 /nfs/dbraw/zinc/22/76/49/198227649.db2.gz ZZODGIAQLRYWBH-QGZVFWFLSA-N 2 1 274.408 2.265 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCN2CCc3ccccc32)C1 ZINC000292436255 198288476 /nfs/dbraw/zinc/28/84/76/198288476.db2.gz MSKCZQHCKDCFIY-MRXNPFEDSA-N 2 1 287.451 2.323 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCN2CCc3ccccc32)C1 ZINC000292436255 198288478 /nfs/dbraw/zinc/28/84/78/198288478.db2.gz MSKCZQHCKDCFIY-MRXNPFEDSA-N 2 1 287.451 2.323 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCN2CCc3ccccc32)C1 ZINC000292436255 198288480 /nfs/dbraw/zinc/28/84/80/198288480.db2.gz MSKCZQHCKDCFIY-MRXNPFEDSA-N 2 1 287.451 2.323 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccccc2Cl)CC1 ZINC000155085483 188181433 /nfs/dbraw/zinc/18/14/33/188181433.db2.gz ZGTDFVMQJWNNIK-OAHLLOKOSA-N 2 1 282.815 2.231 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc(COC)c2)CC[C@H]1[NH3+] ZINC000251703517 539989601 /nfs/dbraw/zinc/98/96/01/539989601.db2.gz JCULCQUJSQLJBT-JKSUJKDBSA-N 2 1 262.397 2.392 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000155421611 188205900 /nfs/dbraw/zinc/20/59/00/188205900.db2.gz SNYDDPSVJRLJQM-SWLSCSKDSA-N 2 1 275.396 2.217 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000155421611 188205902 /nfs/dbraw/zinc/20/59/02/188205902.db2.gz SNYDDPSVJRLJQM-SWLSCSKDSA-N 2 1 275.396 2.217 20 0 CEADMP CC[C@@H]1C[N@H+](CCOc2ccccc2C(C)=O)CC[C@H]1[NH3+] ZINC000251689151 539988043 /nfs/dbraw/zinc/98/80/43/539988043.db2.gz IHHUWDKIMAHVQO-GDBMZVCRSA-N 2 1 290.407 2.327 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOc2ccccc2C(C)=O)CC[C@H]1[NH3+] ZINC000251689151 539988048 /nfs/dbraw/zinc/98/80/48/539988048.db2.gz IHHUWDKIMAHVQO-GDBMZVCRSA-N 2 1 290.407 2.327 20 0 CEADMP CC[C@H]1C[N@@H+](CCOc2ccc(OC)cc2)CC[C@H]1[NH3+] ZINC000251822682 539992944 /nfs/dbraw/zinc/99/29/44/539992944.db2.gz PJGAHURPVGQVNG-XJKSGUPXSA-N 2 1 278.396 2.133 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)CC[N@H+]1C ZINC000156337745 188256943 /nfs/dbraw/zinc/25/69/43/188256943.db2.gz KCZANOJMNUUHKL-CJNGLKHVSA-N 2 1 274.408 2.236 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@](C)(O)c2cccs2)CC[N@H+]1C ZINC000156877749 188285687 /nfs/dbraw/zinc/28/56/87/188285687.db2.gz RKTBOKSTKAZLOS-SCRDCRAPSA-N 2 1 268.426 2.028 20 0 CEADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000451126789 282900514 /nfs/dbraw/zinc/90/05/14/282900514.db2.gz SEAKKUFDRUUFDI-QLFBSQMISA-N 2 1 256.434 2.103 20 0 CEADMP C[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)[C@H]1C[NH3+] ZINC000252214925 540002571 /nfs/dbraw/zinc/00/25/71/540002571.db2.gz XJUIJBOPFXMSNF-YOEHRIQHSA-N 2 1 284.407 2.432 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)[C@H]1C[NH3+] ZINC000252214925 540002573 /nfs/dbraw/zinc/00/25/73/540002573.db2.gz XJUIJBOPFXMSNF-YOEHRIQHSA-N 2 1 284.407 2.432 20 0 CEADMP CC(=O)Nc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292720292 198388095 /nfs/dbraw/zinc/38/80/95/198388095.db2.gz FEZGMWPDPLBINX-KRWDZBQOSA-N 2 1 287.407 2.173 20 0 CEADMP CC(=O)Nc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292720292 198388096 /nfs/dbraw/zinc/38/80/96/198388096.db2.gz FEZGMWPDPLBINX-KRWDZBQOSA-N 2 1 287.407 2.173 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292720292 198388097 /nfs/dbraw/zinc/38/80/97/198388097.db2.gz FEZGMWPDPLBINX-KRWDZBQOSA-N 2 1 287.407 2.173 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292720292 198388098 /nfs/dbraw/zinc/38/80/98/198388098.db2.gz FEZGMWPDPLBINX-KRWDZBQOSA-N 2 1 287.407 2.173 20 0 CEADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC(=O)NC2(C)C)([NH+](C)C)C1 ZINC000494890692 291003490 /nfs/dbraw/zinc/00/34/90/291003490.db2.gz OANNPVIJOKNRMB-CPUCHLNUSA-N 2 1 295.471 2.144 20 0 CEADMP CCO[C@@H]1CC[N@H+](CCCn2cc[nH+]c2C)C[C@H]1C ZINC000451547046 283029588 /nfs/dbraw/zinc/02/95/88/283029588.db2.gz SWDMUJVWXPAEIO-UKRRQHHQSA-N 2 1 265.401 2.329 20 0 CEADMP CCO[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C[C@H]1C ZINC000451547046 283029592 /nfs/dbraw/zinc/02/95/92/283029592.db2.gz SWDMUJVWXPAEIO-UKRRQHHQSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](CCCO)c1ccccc1 ZINC000271755681 191308748 /nfs/dbraw/zinc/30/87/48/191308748.db2.gz GYAMQAMGLMIILY-MRXNPFEDSA-N 2 1 273.380 2.295 20 0 CEADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000401132965 540078189 /nfs/dbraw/zinc/07/81/89/540078189.db2.gz UMHRWXKJNUKCRE-CABCVRRESA-N 2 1 261.413 2.313 20 0 CEADMP C/C=C/C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000682535211 540109783 /nfs/dbraw/zinc/10/97/83/540109783.db2.gz BYHYWCRFTWZMIY-UNCXAERMSA-N 2 1 254.418 2.289 20 0 CEADMP COCc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271870341 191380057 /nfs/dbraw/zinc/38/00/57/191380057.db2.gz XLHHEQPRMIYHOF-UHFFFAOYSA-N 2 1 260.381 2.185 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(O)cc2)CC1 ZINC000682781816 540154522 /nfs/dbraw/zinc/15/45/22/540154522.db2.gz AFXCESFEEIIPPF-UHFFFAOYSA-N 2 1 260.381 2.452 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CCCC2)[C@H]2CCC[C@@H]21 ZINC000353670252 283133674 /nfs/dbraw/zinc/13/36/74/283133674.db2.gz KTRLXKNNMOTBFH-ILXRZTDVSA-N 2 1 266.429 2.002 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000495812876 291081284 /nfs/dbraw/zinc/08/12/84/291081284.db2.gz CXRKGHIPQXSEQS-HNNXBMFYSA-N 2 1 297.443 2.071 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000495812876 291081287 /nfs/dbraw/zinc/08/12/87/291081287.db2.gz CXRKGHIPQXSEQS-HNNXBMFYSA-N 2 1 297.443 2.071 20 0 CEADMP C[C@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)CC[N@H+]1C ZINC000335384751 291082193 /nfs/dbraw/zinc/08/21/93/291082193.db2.gz ZNEJTCVRLSTBSY-FXQLRMTLSA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)COC(=O)N1CCC([NH2+][C@@H](C[NH3+])CC(C)C)CC1 ZINC000495882872 291088045 /nfs/dbraw/zinc/08/80/45/291088045.db2.gz AHAQSAMNKLCHFY-OAHLLOKOSA-N 2 1 299.459 2.206 20 0 CEADMP COC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(C)o1 ZINC000273551949 192198855 /nfs/dbraw/zinc/19/88/55/192198855.db2.gz XOXAIGNZUCXBPG-AWEZNQCLSA-N 2 1 277.368 2.460 20 0 CEADMP C[N@@H+](CCC[NH3+])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000414762393 540245865 /nfs/dbraw/zinc/24/58/65/540245865.db2.gz VYZQHSNIBKFXJX-CABCVRRESA-N 2 1 266.360 2.326 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(C)(C)C)C1 ZINC000386116597 540247087 /nfs/dbraw/zinc/24/70/87/540247087.db2.gz MBTMZJOEOXLYAF-ZIAGYGMSSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000386116597 540247090 /nfs/dbraw/zinc/24/70/90/540247090.db2.gz MBTMZJOEOXLYAF-ZIAGYGMSSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000386116597 540247093 /nfs/dbraw/zinc/24/70/93/540247093.db2.gz MBTMZJOEOXLYAF-ZIAGYGMSSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@@H]1C[C@@H](NCC2(C[NH+](C)C)CCCC2)CC[N@H+]1C ZINC000183950984 297283235 /nfs/dbraw/zinc/28/32/35/297283235.db2.gz KENVBNQIRPPMEA-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CC[N@@H+]1C ZINC000183950984 297283236 /nfs/dbraw/zinc/28/32/36/297283236.db2.gz KENVBNQIRPPMEA-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CC[N@H+]1C ZINC000183950984 297283238 /nfs/dbraw/zinc/28/32/38/297283238.db2.gz KENVBNQIRPPMEA-CABCVRRESA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCc1ccncc1 ZINC000452092860 283184627 /nfs/dbraw/zinc/18/46/27/283184627.db2.gz FHEMXRWPVKIARZ-UHFFFAOYSA-N 2 1 261.413 2.478 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC[C@H]1CCCCO1 ZINC000452093012 283184676 /nfs/dbraw/zinc/18/46/76/283184676.db2.gz FVXLYLNOTSKJAI-CQSZACIVSA-N 2 1 254.418 2.410 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496132637 291110953 /nfs/dbraw/zinc/11/09/53/291110953.db2.gz FXZLFTZJHAZPHD-AAEUAGOBSA-N 2 1 277.368 2.031 20 0 CEADMP CC[NH+](CC)[C@@H](C)CNCc1ncc(C[NH+](C)C)s1 ZINC000352710040 219578696 /nfs/dbraw/zinc/57/86/96/219578696.db2.gz GXOQDEPRKDIVKQ-LBPRGKRZSA-N 2 1 284.473 2.025 20 0 CEADMP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000344849668 283228218 /nfs/dbraw/zinc/22/82/18/283228218.db2.gz DXYGUCFICGEZAU-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1[nH+]cc(CN(CC[NH3+])c2ccc3ccccc3n2)n1C ZINC000668238725 538769902 /nfs/dbraw/zinc/76/99/02/538769902.db2.gz YPFBUUMNUHFADF-UHFFFAOYSA-N 2 1 295.390 2.242 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](C)CO)CC1 ZINC000120669737 538861117 /nfs/dbraw/zinc/86/11/17/538861117.db2.gz ZRWAOJBHEBTRKU-AWEZNQCLSA-N 2 1 256.434 2.059 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H](CC)C(=O)OCC ZINC000414761931 283280839 /nfs/dbraw/zinc/28/08/39/283280839.db2.gz VBYIKIMNIPMPJC-RRFJBIMHSA-N 2 1 284.444 2.428 20 0 CEADMP C[C@H]1CSCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211948745 540303072 /nfs/dbraw/zinc/30/30/72/540303072.db2.gz LNUNLYINJPOCHT-LBPRGKRZSA-N 2 1 262.422 2.270 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2cccc(C(=O)NC)c2)CC1 ZINC000155821772 540312755 /nfs/dbraw/zinc/31/27/55/540312755.db2.gz ZNCYDLPYWXVIRJ-UHFFFAOYSA-N 2 1 289.423 2.010 20 0 CEADMP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000353520662 540316001 /nfs/dbraw/zinc/31/60/01/540316001.db2.gz OLCRGZRKEDBCTR-OWCLPIDISA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)[C@H]1CC[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000353515217 540316441 /nfs/dbraw/zinc/31/64/41/540316441.db2.gz HRXXVOLDBDZBBB-HZPDHXFCSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc(N2CCOC2=O)c1 ZINC000496206654 291118120 /nfs/dbraw/zinc/11/81/20/291118120.db2.gz LQCGIHUNUMUQJS-LBPRGKRZSA-N 2 1 289.379 2.175 20 0 CEADMP CCOC(=O)N[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)CC(C)C ZINC000496243263 291121340 /nfs/dbraw/zinc/12/13/40/291121340.db2.gz FXUASDRGOIRKJS-ZNMIVQPWSA-N 2 1 299.459 2.267 20 0 CEADMP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1F ZINC000166060924 540330122 /nfs/dbraw/zinc/33/01/22/540330122.db2.gz LTISLTRJKQTODH-MNOVXSKESA-N 2 1 252.333 2.003 20 0 CEADMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1F ZINC000166060924 540330125 /nfs/dbraw/zinc/33/01/25/540330125.db2.gz LTISLTRJKQTODH-MNOVXSKESA-N 2 1 252.333 2.003 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccccc1 ZINC000388315786 540324070 /nfs/dbraw/zinc/32/40/70/540324070.db2.gz HTKHMLDJTJDOAX-HZPDHXFCSA-N 2 1 264.413 2.428 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000388315786 540324071 /nfs/dbraw/zinc/32/40/71/540324071.db2.gz HTKHMLDJTJDOAX-HZPDHXFCSA-N 2 1 264.413 2.428 20 0 CEADMP CCC[NH+]1CCC(NCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000156595531 540339960 /nfs/dbraw/zinc/33/99/60/540339960.db2.gz UPKWAFVAEIQWCD-HNNXBMFYSA-N 2 1 267.461 2.325 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000389228530 540344917 /nfs/dbraw/zinc/34/49/17/540344917.db2.gz HZWVCDBVSJSNFV-XHSDSOJGSA-N 2 1 267.461 2.371 20 0 CEADMP CCC[N@H+]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000364089384 283323396 /nfs/dbraw/zinc/32/33/96/283323396.db2.gz HZSHBERHINEUDZ-UHFFFAOYSA-N 2 1 295.471 2.230 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1OCCc2sccc21 ZINC000292000157 299271760 /nfs/dbraw/zinc/27/17/60/299271760.db2.gz XOCLCRJOMMDDKH-XHDPSFHLSA-N 2 1 280.437 2.434 20 0 CEADMP Cc1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c(C)s1 ZINC000570696806 299273428 /nfs/dbraw/zinc/27/34/28/299273428.db2.gz UTSCBONUNICHQX-UHFFFAOYSA-N 2 1 282.453 2.301 20 0 CEADMP CC(C)c1nnc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)[nH]1 ZINC000329182053 202222586 /nfs/dbraw/zinc/22/25/86/202222586.db2.gz OWUNVZAWHYFXRA-AVGNSLFASA-N 2 1 277.416 2.206 20 0 CEADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]CCC2CCCCC2)C1 ZINC000361576363 283348359 /nfs/dbraw/zinc/34/83/59/283348359.db2.gz GHJMMOWSSCQNMS-INIZCTEOSA-N 2 1 295.471 2.134 20 0 CEADMP CC[C@@H](C)[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)OC ZINC000294757930 199168942 /nfs/dbraw/zinc/16/89/42/199168942.db2.gz IVJRLRLBIUHFKQ-IUODEOHRSA-N 2 1 265.401 2.298 20 0 CEADMP C[NH+](C)[C@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000135105209 366395830 /nfs/dbraw/zinc/39/58/30/366395830.db2.gz PCQWRFMOOPBOBS-JTQLQIEISA-N 2 1 284.201 2.375 20 0 CEADMP C[C@@]1(C[NH2+]Cc2cc(F)ccc2F)CCC[NH2+]C1 ZINC000414914176 236554038 /nfs/dbraw/zinc/55/40/38/236554038.db2.gz XJOYRVHIDOAZGD-CQSZACIVSA-N 2 1 254.324 2.444 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000578024464 366434073 /nfs/dbraw/zinc/43/40/73/366434073.db2.gz YPPXOHOUVDMOTJ-BYNSBNAKSA-N 2 1 256.434 2.103 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000310735382 540405200 /nfs/dbraw/zinc/40/52/00/540405200.db2.gz GGEMIIPMWRXTEQ-ZDUSSCGKSA-N 2 1 258.450 2.492 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CC1 ZINC000177325403 299282889 /nfs/dbraw/zinc/28/28/89/299282889.db2.gz JTQVTQJONURIOC-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000570889954 299283416 /nfs/dbraw/zinc/28/34/16/299283416.db2.gz ZLQZLYXCVMDFHO-ILXRZTDVSA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000570889954 299283418 /nfs/dbraw/zinc/28/34/18/299283418.db2.gz ZLQZLYXCVMDFHO-ILXRZTDVSA-N 2 1 255.450 2.179 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000570889954 299283419 /nfs/dbraw/zinc/28/34/19/299283419.db2.gz ZLQZLYXCVMDFHO-ILXRZTDVSA-N 2 1 255.450 2.179 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000578435023 366494054 /nfs/dbraw/zinc/49/40/54/366494054.db2.gz HIFIRTYTQYTTNU-HEHGZKQESA-N 2 1 289.423 2.119 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H]2CCOc3ccccc32)CC1 ZINC000135736779 366472282 /nfs/dbraw/zinc/47/22/82/366472282.db2.gz GNVKSGGLFAMXNF-CYBMUJFWSA-N 2 1 260.381 2.237 20 0 CEADMP CCCC[NH+]1CCC([NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000578316270 366476777 /nfs/dbraw/zinc/47/67/77/366476777.db2.gz UNUBQCUSIXSCJA-LBPRGKRZSA-N 2 1 282.350 2.154 20 0 CEADMP Cc1[nH+]ccn1CCCNc1nc2ccc(F)cc2n1C ZINC000338717295 366486339 /nfs/dbraw/zinc/48/63/39/366486339.db2.gz VCUZNAQPDHEKNX-UHFFFAOYSA-N 2 1 287.342 2.141 20 0 CEADMP C[C@H](C[N@H+](C)CCCc1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC000578450495 366496324 /nfs/dbraw/zinc/49/63/24/366496324.db2.gz CFLUDMLHXGJEIS-CYBMUJFWSA-N 2 1 295.427 2.262 20 0 CEADMP C[C@H](C[N@@H+](C)CCCc1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC000578450495 366496330 /nfs/dbraw/zinc/49/63/30/366496330.db2.gz CFLUDMLHXGJEIS-CYBMUJFWSA-N 2 1 295.427 2.262 20 0 CEADMP CCOC1CC(C[N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000671681584 540481726 /nfs/dbraw/zinc/48/17/26/540481726.db2.gz FBSOELNDIQVXCN-UHFFFAOYSA-N 2 1 254.418 2.075 20 0 CEADMP CCCn1nccc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000668027863 540554987 /nfs/dbraw/zinc/55/49/87/540554987.db2.gz SHLPQYCMPROBSB-UHFFFAOYSA-N 2 1 276.428 2.353 20 0 CEADMP CCCn1nccc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000668027863 540554991 /nfs/dbraw/zinc/55/49/91/540554991.db2.gz SHLPQYCMPROBSB-UHFFFAOYSA-N 2 1 276.428 2.353 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000579138788 366601673 /nfs/dbraw/zinc/60/16/73/366601673.db2.gz WTVYOFVIJYVJBR-INIZCTEOSA-N 2 1 290.455 2.303 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnccn2)C1 ZINC000579203794 366608338 /nfs/dbraw/zinc/60/83/38/366608338.db2.gz DAMYCSQJRZXRGP-GASCZTMLSA-N 2 1 276.428 2.324 20 0 CEADMP CC[C@@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000339133463 366668906 /nfs/dbraw/zinc/66/89/06/366668906.db2.gz BOSGHSPUIBBJKB-OAHLLOKOSA-N 2 1 277.412 2.170 20 0 CEADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000341879822 216135572 /nfs/dbraw/zinc/13/55/72/216135572.db2.gz OYRDWAARMPSKLS-HZPDHXFCSA-N 2 1 290.455 2.186 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000178233344 189099351 /nfs/dbraw/zinc/09/93/51/189099351.db2.gz VCWUDPUFTNOYIN-CKEIUWERSA-N 2 1 288.435 2.482 20 0 CEADMP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1O ZINC000178409364 189114013 /nfs/dbraw/zinc/11/40/13/189114013.db2.gz OHTXEEQTVAWQLI-BZPMIXESSA-N 2 1 278.396 2.219 20 0 CEADMP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1O ZINC000178409364 189114014 /nfs/dbraw/zinc/11/40/14/189114014.db2.gz OHTXEEQTVAWQLI-BZPMIXESSA-N 2 1 278.396 2.219 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccc(F)c3cccnc23)CCC1 ZINC000342118958 216225741 /nfs/dbraw/zinc/22/57/41/216225741.db2.gz DVBWRHUZAJURRA-UHFFFAOYSA-N 2 1 259.328 2.345 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)CC)CC1 ZINC000676207512 540905538 /nfs/dbraw/zinc/90/55/38/540905538.db2.gz RDENWRFAHXXVFP-AWEZNQCLSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)CC)CC1 ZINC000676207512 540905540 /nfs/dbraw/zinc/90/55/40/540905540.db2.gz RDENWRFAHXXVFP-AWEZNQCLSA-N 2 1 283.460 2.097 20 0 CEADMP CC1CCC([NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC000579697166 366685094 /nfs/dbraw/zinc/68/50/94/366685094.db2.gz ZJFJKTZDAWAEIF-UHFFFAOYSA-N 2 1 254.418 2.002 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000268836437 540938858 /nfs/dbraw/zinc/93/88/58/540938858.db2.gz MARDUHMTXVOJLR-KRWDZBQOSA-N 2 1 292.398 2.249 20 0 CEADMP CCO[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000676721046 540949172 /nfs/dbraw/zinc/94/91/72/540949172.db2.gz GDLDCKFFFXLASL-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP CCO[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000676721046 540949174 /nfs/dbraw/zinc/94/91/74/540949174.db2.gz GDLDCKFFFXLASL-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP CCc1cnc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000579719997 366691909 /nfs/dbraw/zinc/69/19/09/366691909.db2.gz YJEUCIFHERIIJK-QWHCGFSZSA-N 2 1 263.385 2.059 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000152661067 366706601 /nfs/dbraw/zinc/70/66/01/366706601.db2.gz AQWXAVBOXNEEBS-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000579827441 366710492 /nfs/dbraw/zinc/71/04/92/366710492.db2.gz NWJATWHWKDXZRL-KBXCAEBGSA-N 2 1 288.435 2.367 20 0 CEADMP COc1ccc(OCCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000152494811 366698940 /nfs/dbraw/zinc/69/89/40/366698940.db2.gz QSRFSNVXTULOKS-YOEHRIQHSA-N 2 1 292.423 2.394 20 0 CEADMP COc1cccc(CCC[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000011888546 361367329 /nfs/dbraw/zinc/36/73/29/361367329.db2.gz NOGUXXJBEDUZIE-HNNXBMFYSA-N 2 1 262.397 2.299 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000154602681 366780934 /nfs/dbraw/zinc/78/09/34/366780934.db2.gz JWVHESUZFICASB-SOUVJXGZSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@H](NC[C@H](O)C[NH+](C)C)c1ccc2c(c1)CCCC2 ZINC000154363777 366771070 /nfs/dbraw/zinc/77/10/70/366771070.db2.gz HKCXNAXDHAFLQZ-GUYCJALGSA-N 2 1 276.424 2.139 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000340238431 366814938 /nfs/dbraw/zinc/81/49/38/366814938.db2.gz IWPCAUTUPSYQMI-GOEBONIOSA-N 2 1 296.842 2.173 20 0 CEADMP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000155351848 366817057 /nfs/dbraw/zinc/81/70/57/366817057.db2.gz XFGKMRPXUXAFIE-UONOGXRCSA-N 2 1 256.434 2.105 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@](C)(CO)c1ccccc1 ZINC000678076276 541077613 /nfs/dbraw/zinc/07/76/13/541077613.db2.gz OQOFLOWCPYAHCU-QGZVFWFLSA-N 2 1 287.407 2.469 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1OC ZINC000019959179 361570287 /nfs/dbraw/zinc/57/02/87/361570287.db2.gz GNMIJHVEESCMSV-GFCCVEGCSA-N 2 1 266.385 2.306 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184242277 189380541 /nfs/dbraw/zinc/38/05/41/189380541.db2.gz CQFZOQDVMBCOAP-UHFFFAOYSA-N 2 1 283.460 2.134 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184242371 189380950 /nfs/dbraw/zinc/38/09/50/189380950.db2.gz SRZMLKSJDIXPNJ-OAHLLOKOSA-N 2 1 295.471 2.086 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000581834781 366827506 /nfs/dbraw/zinc/82/75/06/366827506.db2.gz ZUQDYAPJIHJMKK-JSGCOSHPSA-N 2 1 262.401 2.168 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H](C)CCCCO)[NH+]1CCCC1 ZINC000679332074 541257933 /nfs/dbraw/zinc/25/79/33/541257933.db2.gz QLVUAJOERGQTHH-GJZGRUSLSA-N 2 1 256.434 2.248 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000087406983 363852714 /nfs/dbraw/zinc/85/27/14/363852714.db2.gz OQXMFNCVQMCZOA-ZDUSSCGKSA-N 2 1 264.417 2.255 20 0 CEADMP C[C@@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCOC1 ZINC000679573665 541292365 /nfs/dbraw/zinc/29/23/65/541292365.db2.gz BOCNUPMPGULIEW-QKPAOTATSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCOC1 ZINC000679573665 541292368 /nfs/dbraw/zinc/29/23/68/541292368.db2.gz BOCNUPMPGULIEW-QKPAOTATSA-N 2 1 268.445 2.369 20 0 CEADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000679575709 541292809 /nfs/dbraw/zinc/29/28/09/541292809.db2.gz QSNHLGKVWLQFKY-LLVKDONJSA-N 2 1 250.390 2.101 20 0 CEADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)Cc1ccccc1OC ZINC000088194348 363880350 /nfs/dbraw/zinc/88/03/50/363880350.db2.gz HTZXBXMPPSJQRF-ZDUSSCGKSA-N 2 1 250.386 2.168 20 0 CEADMP O[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000089160417 363940696 /nfs/dbraw/zinc/94/06/96/363940696.db2.gz DGNNPPJJWZDMLH-WMZOPIPTSA-N 2 1 288.435 2.402 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(C)C2=O)cc1 ZINC000090074708 364038429 /nfs/dbraw/zinc/03/84/29/364038429.db2.gz LHADSGQZZFAUDA-LRDDRELGSA-N 2 1 298.390 2.062 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cccnc2)CC1 ZINC000092739006 364103163 /nfs/dbraw/zinc/10/31/63/364103163.db2.gz PDOXZNFFSDHJED-MRXNPFEDSA-N 2 1 290.455 2.150 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000334649568 364133984 /nfs/dbraw/zinc/13/39/84/364133984.db2.gz JAZBDHKKAHYUED-OCCSQVGLSA-N 2 1 259.397 2.214 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)[nH]1 ZINC000093084256 364137464 /nfs/dbraw/zinc/13/74/64/364137464.db2.gz RFEZDVGKPRUNBA-UHFFFAOYSA-N 2 1 293.411 2.013 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638754215 370725496 /nfs/dbraw/zinc/72/54/96/370725496.db2.gz VBTQGECWYSEEGF-YSVLISHTSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638754215 370725499 /nfs/dbraw/zinc/72/54/99/370725499.db2.gz VBTQGECWYSEEGF-YSVLISHTSA-N 2 1 274.408 2.325 20 0 CEADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2nccs2)CC1 ZINC000093397606 364175083 /nfs/dbraw/zinc/17/50/83/364175083.db2.gz PMWYRQOKSRBNDS-AWEZNQCLSA-N 2 1 296.484 2.211 20 0 CEADMP C1=C(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)COCC1 ZINC000093564078 364201233 /nfs/dbraw/zinc/20/12/33/364201233.db2.gz MNGDYHBASYVIOQ-MRXNPFEDSA-N 2 1 264.413 2.283 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000356589827 370765307 /nfs/dbraw/zinc/76/53/07/370765307.db2.gz AJNZLCWYXUYHDV-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000356596857 370768018 /nfs/dbraw/zinc/76/80/18/370768018.db2.gz MGRNJRAANSXTSO-KGLIPLIRSA-N 2 1 285.476 2.390 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000335025374 364368294 /nfs/dbraw/zinc/36/82/94/364368294.db2.gz JTCIUXJARGIEBJ-KGLIPLIRSA-N 2 1 258.369 2.084 20 0 CEADMP C[C@@H]1C[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000335066464 364424917 /nfs/dbraw/zinc/42/49/17/364424917.db2.gz BCJOQOLRDNKYEZ-SDEQNOSCSA-N 2 1 291.483 2.212 20 0 CEADMP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000158017204 366849949 /nfs/dbraw/zinc/84/99/49/366849949.db2.gz LIUMDGFEKYGTGL-RBSFLKMASA-N 2 1 264.413 2.305 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000582058380 366854782 /nfs/dbraw/zinc/85/47/82/366854782.db2.gz YSXBMJPZACLVJQ-WBVHZDCISA-N 2 1 294.414 2.051 20 0 CEADMP Cc1noc(C)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000104085362 364675647 /nfs/dbraw/zinc/67/56/47/364675647.db2.gz HIUNEUAMGFWKHL-UHFFFAOYSA-N 2 1 251.374 2.065 20 0 CEADMP CCC[NH+](CCC)CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000104408345 364696178 /nfs/dbraw/zinc/69/61/78/364696178.db2.gz GEVZWHOFRFFFLL-MRXNPFEDSA-N 2 1 297.487 2.489 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000104387359 364696362 /nfs/dbraw/zinc/69/63/62/364696362.db2.gz QXOFJMOKUAOTQX-CYBMUJFWSA-N 2 1 255.365 2.276 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335634047 212349177 /nfs/dbraw/zinc/34/91/77/212349177.db2.gz LTFFNAPRYAVJGH-UONOGXRCSA-N 2 1 263.385 2.113 20 0 CEADMP Cc1csc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000335633536 212348149 /nfs/dbraw/zinc/34/81/49/212348149.db2.gz JGBPMCXDVOJQSH-STQMWFEESA-N 2 1 265.426 2.273 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335634038 212348174 /nfs/dbraw/zinc/34/81/74/212348174.db2.gz LTDOPCMDFRVMKI-HZPDHXFCSA-N 2 1 298.434 2.464 20 0 CEADMP Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335632601 212346874 /nfs/dbraw/zinc/34/68/74/212346874.db2.gz HTDBWNGZNHJQBB-LSDHHAIUSA-N 2 1 298.434 2.395 20 0 CEADMP Cc1cccn2c(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cnc12 ZINC000335637941 212353843 /nfs/dbraw/zinc/35/38/43/212353843.db2.gz YUJLUUFCESHEMB-JKSUJKDBSA-N 2 1 298.434 2.464 20 0 CEADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)n1 ZINC000335691738 364841602 /nfs/dbraw/zinc/84/16/02/364841602.db2.gz ZQULWQJSYXYJJL-CALCHBBNSA-N 2 1 296.418 2.140 20 0 CEADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCOC3)CC2)cc1 ZINC000112793038 364845479 /nfs/dbraw/zinc/84/54/79/364845479.db2.gz NAALKZRXGDLOCC-QGZVFWFLSA-N 2 1 274.408 2.420 20 0 CEADMP Cc1nc(CC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cs1 ZINC000335749260 364926741 /nfs/dbraw/zinc/92/67/41/364926741.db2.gz IVFNSEQMCXEXRC-CQSZACIVSA-N 2 1 265.426 2.022 20 0 CEADMP Cc1nc(CC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cs1 ZINC000335749260 364926746 /nfs/dbraw/zinc/92/67/46/364926746.db2.gz IVFNSEQMCXEXRC-CQSZACIVSA-N 2 1 265.426 2.022 20 0 CEADMP Cc1nc(CC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cs1 ZINC000335749260 364926754 /nfs/dbraw/zinc/92/67/54/364926754.db2.gz IVFNSEQMCXEXRC-CQSZACIVSA-N 2 1 265.426 2.022 20 0 CEADMP Cc1nc(CC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cs1 ZINC000335749260 364926759 /nfs/dbraw/zinc/92/67/59/364926759.db2.gz IVFNSEQMCXEXRC-CQSZACIVSA-N 2 1 265.426 2.022 20 0 CEADMP C[N@H+]1CC[C@@H]2CCN(C/C=C/c3ccncc3)[C@H]2C1 ZINC000335788414 364984913 /nfs/dbraw/zinc/98/49/13/364984913.db2.gz VAJPBPQVKXZLJH-VNHAASDWSA-N 2 1 257.381 2.121 20 0 CEADMP C[N@H+](CCCO)C1CC[NH+](CCc2ccccc2)CC1 ZINC000115549808 365013711 /nfs/dbraw/zinc/01/37/11/365013711.db2.gz XTUHBSHVXQQTCC-UHFFFAOYSA-N 2 1 276.424 2.008 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](CCc2ccccc2)CC1 ZINC000115549808 365013714 /nfs/dbraw/zinc/01/37/14/365013714.db2.gz XTUHBSHVXQQTCC-UHFFFAOYSA-N 2 1 276.424 2.008 20 0 CEADMP CC[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000117344799 365104171 /nfs/dbraw/zinc/10/41/71/365104171.db2.gz HOHDFVIZMGNARP-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C1CC([NH+]2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000335928724 365174245 /nfs/dbraw/zinc/17/42/45/365174245.db2.gz QXYLGOVLCJLNBO-NVXWUHKLSA-N 2 1 277.456 2.220 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCNC(=O)OC(C)(C)C ZINC000119765825 365322357 /nfs/dbraw/zinc/32/23/57/365322357.db2.gz GNFHDXIBLDKPSM-MGPQQGTHSA-N 2 1 299.459 2.220 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(F)c1 ZINC000275841961 193144655 /nfs/dbraw/zinc/14/46/55/193144655.db2.gz JOAKMRXAWAZBCO-HZPDHXFCSA-N 2 1 280.387 2.323 20 0 CEADMP CC[C@@H](Cn1cncn1)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000340468554 366894536 /nfs/dbraw/zinc/89/45/36/366894536.db2.gz FOBACEGDKMQXAT-HNNXBMFYSA-N 2 1 293.459 2.301 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)C2CCCCC2)[C@H](C)C1 ZINC000340486642 366904497 /nfs/dbraw/zinc/90/44/97/366904497.db2.gz TVITYSMSMRKYMR-PVAVHDDUSA-N 2 1 282.472 2.495 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(C)C ZINC000340515504 366916771 /nfs/dbraw/zinc/91/67/71/366916771.db2.gz QZSOZLFINWXXNK-RRFJBIMHSA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(C)C ZINC000340515504 366916775 /nfs/dbraw/zinc/91/67/75/366916775.db2.gz QZSOZLFINWXXNK-RRFJBIMHSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000340534463 366925816 /nfs/dbraw/zinc/92/58/16/366925816.db2.gz KPHGDSXIWRXVNP-UONOGXRCSA-N 2 1 264.417 2.428 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000340534463 366925825 /nfs/dbraw/zinc/92/58/25/366925825.db2.gz KPHGDSXIWRXVNP-UONOGXRCSA-N 2 1 264.417 2.428 20 0 CEADMP CC(C)OC1CC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000582873098 366970214 /nfs/dbraw/zinc/97/02/14/366970214.db2.gz NDYNTYWTWSRPEB-WLYUNCDWSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@@H](N[C@@H](C)C[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583066319 366996099 /nfs/dbraw/zinc/99/60/99/366996099.db2.gz GRPKCOJBBFUKDD-LZLYRXPVSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)CN(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583066319 366996104 /nfs/dbraw/zinc/99/61/04/366996104.db2.gz GRPKCOJBBFUKDD-LZLYRXPVSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)CN(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583066319 366996106 /nfs/dbraw/zinc/99/61/06/366996106.db2.gz GRPKCOJBBFUKDD-LZLYRXPVSA-N 2 1 289.467 2.437 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000340715672 366999988 /nfs/dbraw/zinc/99/99/88/366999988.db2.gz XIJUTGBITUWFKX-UXLLHSPISA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccnc(OC)c2)C1 ZINC000583332882 367035888 /nfs/dbraw/zinc/03/58/88/367035888.db2.gz XUGZQSFMHHOERW-OLZOCXBDSA-N 2 1 263.385 2.083 20 0 CEADMP O[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000583444078 367049839 /nfs/dbraw/zinc/04/98/39/367049839.db2.gz MHNAOMWNSBHOQT-YESZJQIVSA-N 2 1 280.456 2.488 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCC2(C1)CCCCCC2 ZINC000572413401 299366423 /nfs/dbraw/zinc/36/64/23/299366423.db2.gz CCMRKRHELCDUAG-OAHLLOKOSA-N 2 1 268.445 2.393 20 0 CEADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000161605181 367101178 /nfs/dbraw/zinc/10/11/78/367101178.db2.gz GUEINGBPLVJIHG-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000161730357 367108750 /nfs/dbraw/zinc/10/87/50/367108750.db2.gz MEVZINZNIQAFIO-IRXDYDNUSA-N 2 1 279.472 2.421 20 0 CEADMP Cc1nccn1CCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000162608954 367173816 /nfs/dbraw/zinc/17/38/16/367173816.db2.gz OSOQGFLCXNDYDC-UHFFFAOYSA-N 2 1 275.400 2.109 20 0 CEADMP Cc1nccn1CCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000162608954 367173823 /nfs/dbraw/zinc/17/38/23/367173823.db2.gz OSOQGFLCXNDYDC-UHFFFAOYSA-N 2 1 275.400 2.109 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+](C)CCCn1cc[nH+]c1C ZINC000162608954 367173830 /nfs/dbraw/zinc/17/38/30/367173830.db2.gz OSOQGFLCXNDYDC-UHFFFAOYSA-N 3 1 275.400 2.109 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000163117558 367219922 /nfs/dbraw/zinc/21/99/22/367219922.db2.gz RFHAMXGHYVFBSC-VDERGJSUSA-N 2 1 268.445 2.246 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCOCC2CC2)[C@H](C)C1 ZINC000162863042 367197378 /nfs/dbraw/zinc/19/73/78/367197378.db2.gz FZVNIQDKJJZJHP-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000245613938 370849171 /nfs/dbraw/zinc/84/91/71/370849171.db2.gz MCQCSCWNBSPINK-HUUCEWRRSA-N 2 1 295.452 2.178 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000245613938 370849177 /nfs/dbraw/zinc/84/91/77/370849177.db2.gz MCQCSCWNBSPINK-HUUCEWRRSA-N 2 1 295.452 2.178 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCn3ccnc3)C2)[nH+]1 ZINC000163461914 367242314 /nfs/dbraw/zinc/24/23/14/367242314.db2.gz ARIRGEOPQDODBT-HNNXBMFYSA-N 2 1 285.395 2.021 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCn3ccnc3)C2)[nH+]1 ZINC000163461914 367242319 /nfs/dbraw/zinc/24/23/19/367242319.db2.gz ARIRGEOPQDODBT-HNNXBMFYSA-N 2 1 285.395 2.021 20 0 CEADMP CCC1([NH+](C)C)CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000631476382 367343381 /nfs/dbraw/zinc/34/33/81/367343381.db2.gz RTANDQMIPDQMMA-UHFFFAOYSA-N 2 1 262.401 2.404 20 0 CEADMP CCC1([NH+](C)C)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000631477700 367344766 /nfs/dbraw/zinc/34/47/66/367344766.db2.gz OLEXRZNCSGHAJY-UHFFFAOYSA-N 2 1 273.384 2.269 20 0 CEADMP CC[N@@H+](CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)C(C)C ZINC000341902769 367378414 /nfs/dbraw/zinc/37/84/14/367378414.db2.gz VOVDOXZELSXQKP-RBSFLKMASA-N 2 1 255.450 2.035 20 0 CEADMP CC[NH+](CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C(C)C ZINC000341902769 367378422 /nfs/dbraw/zinc/37/84/22/367378422.db2.gz VOVDOXZELSXQKP-RBSFLKMASA-N 2 1 255.450 2.035 20 0 CEADMP CC[NH+](CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C(C)C ZINC000341902769 367378429 /nfs/dbraw/zinc/37/84/29/367378429.db2.gz VOVDOXZELSXQKP-RBSFLKMASA-N 2 1 255.450 2.035 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC[N@@H+]1C ZINC000631587295 367422318 /nfs/dbraw/zinc/42/23/18/367422318.db2.gz GWECLKRUULOXGW-QTVXIADOSA-N 2 1 264.413 2.016 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC[N@H+]1C ZINC000631587295 367422320 /nfs/dbraw/zinc/42/23/20/367422320.db2.gz GWECLKRUULOXGW-QTVXIADOSA-N 2 1 264.413 2.016 20 0 CEADMP CC[C@H](O)[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245710371 370862206 /nfs/dbraw/zinc/86/22/06/370862206.db2.gz ZFLXJRJQZYTYGJ-KFWWJZLASA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@H](O)[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245710371 370862199 /nfs/dbraw/zinc/86/21/99/370862199.db2.gz ZFLXJRJQZYTYGJ-KFWWJZLASA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@H](O)[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245710371 370862203 /nfs/dbraw/zinc/86/22/03/370862203.db2.gz ZFLXJRJQZYTYGJ-KFWWJZLASA-N 2 1 254.418 2.096 20 0 CEADMP CCC[NH+](CCC)CCCN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000342862988 367577696 /nfs/dbraw/zinc/57/76/96/367577696.db2.gz VCBVTBQGECDQLL-GJZGRUSLSA-N 2 1 255.450 2.038 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000631840102 367581242 /nfs/dbraw/zinc/58/12/42/367581242.db2.gz PLLGWEISFAUZOE-CMPLNLGQSA-N 2 1 268.788 2.375 20 0 CEADMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000631840102 367581247 /nfs/dbraw/zinc/58/12/47/367581247.db2.gz PLLGWEISFAUZOE-CMPLNLGQSA-N 2 1 268.788 2.375 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000631841084 367584476 /nfs/dbraw/zinc/58/44/76/367584476.db2.gz HWUJDKYJEMSVEB-QLFBSQMISA-N 2 1 289.423 2.157 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000631841084 367584479 /nfs/dbraw/zinc/58/44/79/367584479.db2.gz HWUJDKYJEMSVEB-QLFBSQMISA-N 2 1 289.423 2.157 20 0 CEADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844520 367585073 /nfs/dbraw/zinc/58/50/73/367585073.db2.gz XRBATEVVFDKYGI-IJLUTSLNSA-N 2 1 295.814 2.194 20 0 CEADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844520 367585079 /nfs/dbraw/zinc/58/50/79/367585079.db2.gz XRBATEVVFDKYGI-IJLUTSLNSA-N 2 1 295.814 2.194 20 0 CEADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844607 367585532 /nfs/dbraw/zinc/58/55/32/367585532.db2.gz YUNJFYVPIIPUQZ-IJLUTSLNSA-N 2 1 295.814 2.194 20 0 CEADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844607 367585537 /nfs/dbraw/zinc/58/55/37/367585537.db2.gz YUNJFYVPIIPUQZ-IJLUTSLNSA-N 2 1 295.814 2.194 20 0 CEADMP Cn1c2ccccc2nc1CC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834067 367573050 /nfs/dbraw/zinc/57/30/50/367573050.db2.gz NYOSWKDZZBMCPU-AWEZNQCLSA-N 2 1 286.423 2.319 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834067 367573055 /nfs/dbraw/zinc/57/30/55/367573055.db2.gz NYOSWKDZZBMCPU-AWEZNQCLSA-N 2 1 286.423 2.319 20 0 CEADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1CCCn1cc[nH+]c1C ZINC000342858517 367573803 /nfs/dbraw/zinc/57/38/03/367573803.db2.gz AATLVOKFSZBZIQ-TZMCWYRMSA-N 2 1 251.374 2.081 20 0 CEADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCCn1cc[nH+]c1C ZINC000342858517 367573806 /nfs/dbraw/zinc/57/38/06/367573806.db2.gz AATLVOKFSZBZIQ-TZMCWYRMSA-N 2 1 251.374 2.081 20 0 CEADMP CC1([NH+]2CCCC2)CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000631836587 367575628 /nfs/dbraw/zinc/57/56/28/367575628.db2.gz BWDOBYWNDLOASM-MRXNPFEDSA-N 2 1 279.472 2.326 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@H]1C[NH3+] ZINC000631837634 367576289 /nfs/dbraw/zinc/57/62/89/367576289.db2.gz VISJGSYZZWGELQ-SWLSCSKDSA-N 2 1 255.365 2.261 20 0 CEADMP c1ccc2c(CC[NH2+][C@]34CCC[C@@H]3C[NH2+]C4)noc2c1 ZINC000631867245 367601622 /nfs/dbraw/zinc/60/16/22/367601622.db2.gz NKBQUBNMUUOOEH-WBMJQRKESA-N 2 1 271.364 2.102 20 0 CEADMP Fc1cccc(O[C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000631879172 367604869 /nfs/dbraw/zinc/60/48/69/367604869.db2.gz MSYDBVJFOUOYRE-CJNGLKHVSA-N 2 1 278.371 2.278 20 0 CEADMP Fc1ccccc1OCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886212 367608733 /nfs/dbraw/zinc/60/87/33/367608733.db2.gz HUXIGLRXTZAVPD-UKRRQHHQSA-N 2 1 278.371 2.278 20 0 CEADMP Fc1ccccc1OCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886212 367608742 /nfs/dbraw/zinc/60/87/42/367608742.db2.gz HUXIGLRXTZAVPD-UKRRQHHQSA-N 2 1 278.371 2.278 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)s1 ZINC000631890884 367612605 /nfs/dbraw/zinc/61/26/05/367612605.db2.gz WHNWXNRBXHSKPM-DGCLKSJQSA-N 2 1 251.399 2.025 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)s1 ZINC000631890884 367612607 /nfs/dbraw/zinc/61/26/07/367612607.db2.gz WHNWXNRBXHSKPM-DGCLKSJQSA-N 2 1 251.399 2.025 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@@H]3CCCOC3)C1)CCCC2 ZINC000681827347 541601465 /nfs/dbraw/zinc/60/14/65/541601465.db2.gz GONUAIQRBXNVNE-LSDHHAIUSA-N 2 1 289.423 2.496 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@@H]3CCCOC3)C1)CCCC2 ZINC000681827347 541601470 /nfs/dbraw/zinc/60/14/70/541601470.db2.gz GONUAIQRBXNVNE-LSDHHAIUSA-N 2 1 289.423 2.496 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2cccc3nccn32)[C@@H](C)C1 ZINC000245854233 370880452 /nfs/dbraw/zinc/88/04/52/370880452.db2.gz NBJZKYNEYOZTSM-HOCLYGCPSA-N 2 1 286.423 2.496 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3nccn32)[C@@H](C)C1 ZINC000245854233 370880460 /nfs/dbraw/zinc/88/04/60/370880460.db2.gz NBJZKYNEYOZTSM-HOCLYGCPSA-N 2 1 286.423 2.496 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3nccn32)[C@@H](C)C1 ZINC000245854233 370880467 /nfs/dbraw/zinc/88/04/67/370880467.db2.gz NBJZKYNEYOZTSM-HOCLYGCPSA-N 3 1 286.423 2.496 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3nccn32)[C@@H](C)C1 ZINC000245854233 370880475 /nfs/dbraw/zinc/88/04/75/370880475.db2.gz NBJZKYNEYOZTSM-HOCLYGCPSA-N 3 1 286.423 2.496 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3nccn32)[C@@H](C)C1 ZINC000245854233 370880481 /nfs/dbraw/zinc/88/04/81/370880481.db2.gz NBJZKYNEYOZTSM-HOCLYGCPSA-N 3 1 286.423 2.496 20 0 CEADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CC1CCCC1 ZINC000343505982 367851831 /nfs/dbraw/zinc/85/18/31/367851831.db2.gz FQRMNSMBRZTDIC-ULQDDVLXSA-N 2 1 280.456 2.392 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC000343511051 367853442 /nfs/dbraw/zinc/85/34/42/367853442.db2.gz WCPGQOYSJVKIFY-YHUYYLMFSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC000343511051 367853446 /nfs/dbraw/zinc/85/34/46/367853446.db2.gz WCPGQOYSJVKIFY-YHUYYLMFSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000343511051 367853450 /nfs/dbraw/zinc/85/34/50/367853450.db2.gz WCPGQOYSJVKIFY-YHUYYLMFSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000343511051 367853453 /nfs/dbraw/zinc/85/34/53/367853453.db2.gz WCPGQOYSJVKIFY-YHUYYLMFSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000173364531 367902024 /nfs/dbraw/zinc/90/20/24/367902024.db2.gz HICCBFQHRBPLKT-DYVFJYSZSA-N 2 1 289.423 2.465 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000173785668 367943739 /nfs/dbraw/zinc/94/37/39/367943739.db2.gz LRJDKMRPEYGODW-INIZCTEOSA-N 2 1 261.413 2.288 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000173785668 367943743 /nfs/dbraw/zinc/94/37/43/367943743.db2.gz LRJDKMRPEYGODW-INIZCTEOSA-N 2 1 261.413 2.288 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000344186248 368113139 /nfs/dbraw/zinc/11/31/39/368113139.db2.gz DLUFGURZGHXYRT-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000344186248 368113143 /nfs/dbraw/zinc/11/31/43/368113143.db2.gz DLUFGURZGHXYRT-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000344186248 368113148 /nfs/dbraw/zinc/11/31/48/368113148.db2.gz DLUFGURZGHXYRT-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000344186248 368113153 /nfs/dbraw/zinc/11/31/53/368113153.db2.gz DLUFGURZGHXYRT-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000344186248 368113156 /nfs/dbraw/zinc/11/31/56/368113156.db2.gz DLUFGURZGHXYRT-ARFHVFGLSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H](CCO)C1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000344296373 368118673 /nfs/dbraw/zinc/11/86/73/368118673.db2.gz LXEARWFOSULZGP-ZNMIVQPWSA-N 2 1 268.445 2.248 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C3CCCC3)C2)[C@H](C)C1 ZINC000345176822 368181792 /nfs/dbraw/zinc/18/17/92/368181792.db2.gz ZJIPXIWNFIHQGZ-VYDXJSESSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@H](C)C1 ZINC000345176822 368181796 /nfs/dbraw/zinc/18/17/96/368181796.db2.gz ZJIPXIWNFIHQGZ-VYDXJSESSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C3CCCC3)C2)[C@H](C)C1 ZINC000345176822 368181799 /nfs/dbraw/zinc/18/17/99/368181799.db2.gz ZJIPXIWNFIHQGZ-VYDXJSESSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@@H+]1C[C@H](NC2CC[NH+](C3CCCC3)CC2)[C@@H](C)C1 ZINC000344730629 368134229 /nfs/dbraw/zinc/13/42/29/368134229.db2.gz YKXVKNWIBRLWNH-YOEHRIQHSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc([S@](C)=O)cc1 ZINC000358235813 299384231 /nfs/dbraw/zinc/38/42/31/299384231.db2.gz YWYGQWJBRQLRFJ-YDYCPSOVSA-N 2 1 294.464 2.415 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc([S@](C)=O)cc1 ZINC000358235813 299384235 /nfs/dbraw/zinc/38/42/35/299384235.db2.gz YWYGQWJBRQLRFJ-YDYCPSOVSA-N 2 1 294.464 2.415 20 0 CEADMP Cc1cc(N2CCC([NH2+]Cc3cccn3C)CC2)nc(C)[nH+]1 ZINC000178615289 368305969 /nfs/dbraw/zinc/30/59/69/368305969.db2.gz JXIDXUTVVNPIRX-UHFFFAOYSA-N 2 1 299.422 2.191 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000345511290 368306421 /nfs/dbraw/zinc/30/64/21/368306421.db2.gz SMSUJNVRDBDGGU-GEEKYZPCSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1ccc(NC(N)=O)cc1 ZINC000252713916 299384814 /nfs/dbraw/zinc/38/48/14/299384814.db2.gz QNCFOPGAJTZRKS-TYNCELHUSA-N 2 1 290.411 2.168 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccc(NC(N)=O)cc1 ZINC000252713916 299384815 /nfs/dbraw/zinc/38/48/15/299384815.db2.gz QNCFOPGAJTZRKS-TYNCELHUSA-N 2 1 290.411 2.168 20 0 CEADMP CC[C@H](C)[N@H+](C)CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC000345798484 368426347 /nfs/dbraw/zinc/42/63/47/368426347.db2.gz XNAIEVBMWHIOEL-AWEZNQCLSA-N 2 1 294.443 2.243 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC000345798484 368426349 /nfs/dbraw/zinc/42/63/49/368426349.db2.gz XNAIEVBMWHIOEL-AWEZNQCLSA-N 2 1 294.443 2.243 20 0 CEADMP Oc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000682407747 541661001 /nfs/dbraw/zinc/66/10/01/541661001.db2.gz XLHZHRBAVDSOAX-UHFFFAOYSA-N 2 1 260.381 2.499 20 0 CEADMP CCC[C@]1(C)CCC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414697178 284054223 /nfs/dbraw/zinc/05/42/23/284054223.db2.gz IFFNEOCFYFOZCG-NVXWUHKLSA-N 2 1 295.471 2.086 20 0 CEADMP C[NH+](C)[C@H](C[NH2+]C1CCC2(CCCO2)CC1)C1CC1 ZINC000682640637 541691339 /nfs/dbraw/zinc/69/13/39/541691339.db2.gz HDZQRKJWQWUHBO-HWOWSKLDSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]CCc2c[nH+]cn2C)s1 ZINC000682648664 541693503 /nfs/dbraw/zinc/69/35/03/541693503.db2.gz XNRXMWLTQWEDGL-VIFPVBQESA-N 2 1 250.371 2.078 20 0 CEADMP c1cn(CCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000182792222 368591125 /nfs/dbraw/zinc/59/11/25/368591125.db2.gz ITSCDTLREFVNEG-INIZCTEOSA-N 2 1 276.428 2.224 20 0 CEADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000346213943 368594800 /nfs/dbraw/zinc/59/48/00/368594800.db2.gz DPCWREJSNBZYDQ-BZUAXINKSA-N 2 1 295.471 2.192 20 0 CEADMP CN(C)[C@@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346154420 368564741 /nfs/dbraw/zinc/56/47/41/368564741.db2.gz QUGWHOQZEJFMDP-CYBMUJFWSA-N 2 1 290.436 2.460 20 0 CEADMP C[C@H](CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000346279993 368619368 /nfs/dbraw/zinc/61/93/68/368619368.db2.gz ULQNKLUMMUSMEL-BRWVUGGUSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@H](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000346279993 368619370 /nfs/dbraw/zinc/61/93/70/368619370.db2.gz ULQNKLUMMUSMEL-BRWVUGGUSA-N 3 1 279.472 2.467 20 0 CEADMP C[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000346279993 368619374 /nfs/dbraw/zinc/61/93/74/368619374.db2.gz ULQNKLUMMUSMEL-BRWVUGGUSA-N 3 1 279.472 2.467 20 0 CEADMP C[C@H](CCN[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCCC1 ZINC000346279994 368619467 /nfs/dbraw/zinc/61/94/67/368619467.db2.gz ULQNKLUMMUSMEL-IKGGRYGDSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCCCC1 ZINC000346279994 368619473 /nfs/dbraw/zinc/61/94/73/368619473.db2.gz ULQNKLUMMUSMEL-IKGGRYGDSA-N 3 1 279.472 2.467 20 0 CEADMP C[C@H](CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCCC1 ZINC000346279994 368619479 /nfs/dbraw/zinc/61/94/79/368619479.db2.gz ULQNKLUMMUSMEL-IKGGRYGDSA-N 3 1 279.472 2.467 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc[nH]c2)[C@@H](C)C1 ZINC000246096757 370908238 /nfs/dbraw/zinc/90/82/38/370908238.db2.gz ONAXHXFGIANOIR-GOEBONIOSA-N 2 1 279.428 2.241 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)c2cnn(C)c2)C1 ZINC000246332638 370948470 /nfs/dbraw/zinc/94/84/70/370948470.db2.gz GFPXHVWURSTOSY-HUUCEWRRSA-N 2 1 278.444 2.439 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000246332638 370948476 /nfs/dbraw/zinc/94/84/76/370948476.db2.gz GFPXHVWURSTOSY-HUUCEWRRSA-N 2 1 278.444 2.439 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000246332638 370948480 /nfs/dbraw/zinc/94/84/80/370948480.db2.gz GFPXHVWURSTOSY-HUUCEWRRSA-N 2 1 278.444 2.439 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(C2CC2)nc2sccn12 ZINC000346693627 368775715 /nfs/dbraw/zinc/77/57/15/368775715.db2.gz OIIQZUNHKCKRNO-WDEREUQCSA-N 2 1 290.436 2.442 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(C2CC2)nc2sccn12 ZINC000346693627 368775721 /nfs/dbraw/zinc/77/57/21/368775721.db2.gz OIIQZUNHKCKRNO-WDEREUQCSA-N 2 1 290.436 2.442 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(O)CCCCCC1 ZINC000185203322 368766296 /nfs/dbraw/zinc/76/62/96/368766296.db2.gz VUJOONNAGOYLLZ-UHFFFAOYSA-N 2 1 277.412 2.323 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1C ZINC000346682833 368767593 /nfs/dbraw/zinc/76/75/93/368767593.db2.gz PZHUFEYZBJVFNI-FZMZJTMJSA-N 2 1 264.417 2.079 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000346684810 368768801 /nfs/dbraw/zinc/76/88/01/368768801.db2.gz RRSWCQFLLJKCPT-UHFFFAOYSA-N 2 1 260.385 2.059 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346684810 368768808 /nfs/dbraw/zinc/76/88/08/368768808.db2.gz RRSWCQFLLJKCPT-UHFFFAOYSA-N 2 1 260.385 2.059 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634678914 368809999 /nfs/dbraw/zinc/80/99/99/368809999.db2.gz HAWHPSNQWRKRHW-CYBMUJFWSA-N 2 1 251.374 2.129 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cn3cccc(F)c3n2)C1 ZINC000634732320 368844138 /nfs/dbraw/zinc/84/41/38/368844138.db2.gz CUPJHIAQKDPHFT-LBPRGKRZSA-N 2 1 290.386 2.341 20 0 CEADMP CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000185650953 368837766 /nfs/dbraw/zinc/83/77/66/368837766.db2.gz OBNQEXLCVXGASG-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP CCO[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)C12CCC2 ZINC000346960708 368795200 /nfs/dbraw/zinc/79/52/00/368795200.db2.gz FPHGZBOTYRRKHT-LSDHHAIUSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347007374 368797112 /nfs/dbraw/zinc/79/71/12/368797112.db2.gz QFVLOYLUQQENBE-FMKPAKJESA-N 2 1 268.445 2.498 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000348103265 368899109 /nfs/dbraw/zinc/89/91/09/368899109.db2.gz OEMZQTRWOWRFMI-IJEWVQPXSA-N 2 1 299.422 2.401 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000348103265 368899113 /nfs/dbraw/zinc/89/91/13/368899113.db2.gz OEMZQTRWOWRFMI-IJEWVQPXSA-N 2 1 299.422 2.401 20 0 CEADMP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000348103924 368899808 /nfs/dbraw/zinc/89/98/08/368899808.db2.gz MYEHBAQDHUIDSJ-LSDHHAIUSA-N 2 1 268.445 2.248 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCSC2)[C@H](C)C1 ZINC000348246103 368967643 /nfs/dbraw/zinc/96/76/43/368967643.db2.gz RLWMWYVYVJEINB-MCIONIFRSA-N 2 1 256.459 2.450 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)CC[N@H+]1C ZINC000186612734 369007405 /nfs/dbraw/zinc/00/74/05/369007405.db2.gz LUPFOZOWAORGQO-CJNGLKHVSA-N 2 1 276.424 2.486 20 0 CEADMP Nc1ccc(-c2cccc(C[NH2+]C3CC[NH2+]CC3)n2)cc1 ZINC000634994646 369023637 /nfs/dbraw/zinc/02/36/37/369023637.db2.gz JOICPCTZHGDMCZ-UHFFFAOYSA-N 2 1 282.391 2.172 20 0 CEADMP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(-n2cccn2)c1 ZINC000634996054 369024811 /nfs/dbraw/zinc/02/48/11/369024811.db2.gz YDZXOYKDPFSNKP-TUBUQKNSSA-N 2 1 282.391 2.275 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)C[C@H]1C[NH3+] ZINC000634999118 369033129 /nfs/dbraw/zinc/03/31/29/369033129.db2.gz QFWNDAFDNRUHHV-TZMCWYRMSA-N 2 1 255.365 2.261 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccon1 ZINC000634953112 368986568 /nfs/dbraw/zinc/98/65/68/368986568.db2.gz RTIVMGWZMWRLCU-CYBMUJFWSA-N 2 1 251.374 2.419 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC[C@@H]2CCOC2)C1 ZINC000682805925 541716689 /nfs/dbraw/zinc/71/66/89/541716689.db2.gz QQNKNPFWGBTKLJ-CABCVRRESA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000682805925 541716694 /nfs/dbraw/zinc/71/66/94/541716694.db2.gz QQNKNPFWGBTKLJ-CABCVRRESA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000682805925 541716696 /nfs/dbraw/zinc/71/66/96/541716696.db2.gz QQNKNPFWGBTKLJ-CABCVRRESA-N 2 1 254.418 2.077 20 0 CEADMP CC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1nccn1C ZINC000635012398 369049801 /nfs/dbraw/zinc/04/98/01/369049801.db2.gz TYFATHBYXBEHPX-QWHCGFSZSA-N 2 1 264.417 2.239 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C2)cc1 ZINC000635012227 369050628 /nfs/dbraw/zinc/05/06/28/369050628.db2.gz JTNKKLMMVSEUEE-VYDXJSESSA-N 2 1 275.440 2.285 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C2)cc1 ZINC000635012227 369050629 /nfs/dbraw/zinc/05/06/29/369050629.db2.gz JTNKKLMMVSEUEE-VYDXJSESSA-N 2 1 275.440 2.285 20 0 CEADMP C[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000635013206 369051131 /nfs/dbraw/zinc/05/11/31/369051131.db2.gz DDXCSTCHLONMRC-UXIGCNINSA-N 2 1 282.815 2.146 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)nc2C)C1 ZINC000187125065 369106567 /nfs/dbraw/zinc/10/65/67/369106567.db2.gz GKKDCZALNONPAR-OAHLLOKOSA-N 2 1 261.413 2.472 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)nc2C)C1 ZINC000187125065 369106570 /nfs/dbraw/zinc/10/65/70/369106570.db2.gz GKKDCZALNONPAR-OAHLLOKOSA-N 2 1 261.413 2.472 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)nc2C)C1 ZINC000187125065 369106572 /nfs/dbraw/zinc/10/65/72/369106572.db2.gz GKKDCZALNONPAR-OAHLLOKOSA-N 2 1 261.413 2.472 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)nc2C)C1 ZINC000187125065 369106574 /nfs/dbraw/zinc/10/65/74/369106574.db2.gz GKKDCZALNONPAR-OAHLLOKOSA-N 2 1 261.413 2.472 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCc3cccc(F)c3)C[C@@H]12 ZINC000348751482 369142522 /nfs/dbraw/zinc/14/25/22/369142522.db2.gz RSFDDPFZCBEIFT-FVQBIDKESA-N 2 1 262.372 2.427 20 0 CEADMP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)CC(C)C ZINC000635556361 369218717 /nfs/dbraw/zinc/21/87/17/369218717.db2.gz NGFFMWZCGYOLGT-HOTGVXAUSA-N 2 1 297.487 2.201 20 0 CEADMP Cc1ccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)c(C[NH+](C)C)c1 ZINC000635565547 369221323 /nfs/dbraw/zinc/22/13/23/369221323.db2.gz DLRNRELBBRGRBP-AWEZNQCLSA-N 2 1 289.423 2.337 20 0 CEADMP Cc1cc(NC(=O)C23CCC[NH+](CCC2)C3)cn2cc[nH+]c12 ZINC000635961584 369426339 /nfs/dbraw/zinc/42/63/39/369426339.db2.gz AEUPAZOVMWKCHW-UHFFFAOYSA-N 2 1 298.390 2.457 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC000358219196 370957039 /nfs/dbraw/zinc/95/70/39/370957039.db2.gz FJYMKXHYRCTFBL-HRCADAONSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000358219196 370957043 /nfs/dbraw/zinc/95/70/43/370957043.db2.gz FJYMKXHYRCTFBL-HRCADAONSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000358219196 370957047 /nfs/dbraw/zinc/95/70/47/370957047.db2.gz FJYMKXHYRCTFBL-HRCADAONSA-N 2 1 267.461 2.037 20 0 CEADMP CC1=CC[N@@H+](CCNC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000358226533 370958957 /nfs/dbraw/zinc/95/89/57/370958957.db2.gz LXZHPBDSYDJYQH-UHFFFAOYSA-N 2 1 279.472 2.491 20 0 CEADMP CC1=CCN(CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000358226533 370958964 /nfs/dbraw/zinc/95/89/64/370958964.db2.gz LXZHPBDSYDJYQH-UHFFFAOYSA-N 2 1 279.472 2.491 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc2c(s1)CCCC2 ZINC000358249614 370971353 /nfs/dbraw/zinc/97/13/53/370971353.db2.gz KOBUEIRILXMJQN-BLLLJJGKSA-N 2 1 294.464 2.344 20 0 CEADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc2c(s1)CCCC2 ZINC000358249614 370971359 /nfs/dbraw/zinc/97/13/59/370971359.db2.gz KOBUEIRILXMJQN-BLLLJJGKSA-N 2 1 294.464 2.344 20 0 CEADMP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358257063 370976336 /nfs/dbraw/zinc/97/63/36/370976336.db2.gz RYRSVTMXQMWNBD-ROUUACIJSA-N 2 1 290.451 2.444 20 0 CEADMP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358257063 370976340 /nfs/dbraw/zinc/97/63/40/370976340.db2.gz RYRSVTMXQMWNBD-ROUUACIJSA-N 2 1 290.451 2.444 20 0 CEADMP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000358231334 370962857 /nfs/dbraw/zinc/96/28/57/370962857.db2.gz YVRACHWCKYFASF-ZDUSSCGKSA-N 2 1 294.361 2.296 20 0 CEADMP CSc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358260602 370978586 /nfs/dbraw/zinc/97/85/86/370978586.db2.gz VGCVIHIZMUMFPK-WFASDCNBSA-N 2 1 280.437 2.126 20 0 CEADMP CSc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358260602 370978595 /nfs/dbraw/zinc/97/85/95/370978595.db2.gz VGCVIHIZMUMFPK-WFASDCNBSA-N 2 1 280.437 2.126 20 0 CEADMP CN(CCC[NH+]1CCCC1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000351525928 369640271 /nfs/dbraw/zinc/64/02/71/369640271.db2.gz VCOCDERBGHZIOA-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CC(C)(C)CC(C)(C)C1)C1CC1 ZINC000351606574 369643397 /nfs/dbraw/zinc/64/33/97/369643397.db2.gz UDXGBXQUNFIRNS-CQSZACIVSA-N 2 1 268.445 2.200 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CC(C)(C)CC(C)(C)C1)C1CC1 ZINC000351606574 369643406 /nfs/dbraw/zinc/64/34/06/369643406.db2.gz UDXGBXQUNFIRNS-CQSZACIVSA-N 2 1 268.445 2.200 20 0 CEADMP CCCn1ccnc1CCC[N@H+](C)Cc1ncc[nH]1 ZINC000191497425 369718436 /nfs/dbraw/zinc/71/84/36/369718436.db2.gz KNGHNIDLZAVJCB-UHFFFAOYSA-N 2 1 261.373 2.081 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)C1)C1CC1 ZINC000352351433 369685386 /nfs/dbraw/zinc/68/53/86/369685386.db2.gz XWHWUZMRMUUIFF-UKRRQHHQSA-N 2 1 268.445 2.200 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)C1)C1CC1 ZINC000352351433 369685390 /nfs/dbraw/zinc/68/53/90/369685390.db2.gz XWHWUZMRMUUIFF-UKRRQHHQSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)C)C1)C1CC1 ZINC000352351433 369685394 /nfs/dbraw/zinc/68/53/94/369685394.db2.gz XWHWUZMRMUUIFF-UKRRQHHQSA-N 2 1 268.445 2.200 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](C(C)(C)C)C1)C1CC1 ZINC000352351433 369685398 /nfs/dbraw/zinc/68/53/98/369685398.db2.gz XWHWUZMRMUUIFF-UKRRQHHQSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](CC)[C@H](C)CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000352386157 369702543 /nfs/dbraw/zinc/70/25/43/369702543.db2.gz TWAHFWOPQFQKKM-CQSZACIVSA-N 2 1 291.443 2.031 20 0 CEADMP CCCC[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000352391701 369706755 /nfs/dbraw/zinc/70/67/55/369706755.db2.gz NWBJXNONEFPFRU-OAHLLOKOSA-N 2 1 297.487 2.486 20 0 CEADMP c1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC000352535038 369776332 /nfs/dbraw/zinc/77/63/32/369776332.db2.gz LQISFWIVJRGVTO-KRWDZBQOSA-N 2 1 272.392 2.197 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC000352535038 369776335 /nfs/dbraw/zinc/77/63/35/369776335.db2.gz LQISFWIVJRGVTO-KRWDZBQOSA-N 2 1 272.392 2.197 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000192645661 369838330 /nfs/dbraw/zinc/83/83/30/369838330.db2.gz VYRLSIZZLREDQY-HRCADAONSA-N 2 1 268.445 2.369 20 0 CEADMP Cc1cn[nH]c1CNCCC[N@H+](C)C1CCCCC1 ZINC000352841425 369907956 /nfs/dbraw/zinc/90/79/56/369907956.db2.gz REUXTEKIEZPYIV-UHFFFAOYSA-N 2 1 264.417 2.462 20 0 CEADMP C[C@H]1CCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352756435 369869395 /nfs/dbraw/zinc/86/93/95/369869395.db2.gz QRDADNZIRIJVFC-CMPLNLGQSA-N 2 1 253.415 2.483 20 0 CEADMP CCC(CC)(CCO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352851455 369913246 /nfs/dbraw/zinc/91/32/46/369913246.db2.gz BMZGEVMHLZKECN-UHFFFAOYSA-N 2 1 285.457 2.236 20 0 CEADMP CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353077190 370010115 /nfs/dbraw/zinc/01/01/15/370010115.db2.gz DOVSKMXSAJCQHD-IUODEOHRSA-N 2 1 265.401 2.034 20 0 CEADMP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000353459915 370113526 /nfs/dbraw/zinc/11/35/26/370113526.db2.gz NDSOFZPJAWOYNY-PMPSAXMXSA-N 2 1 295.471 2.001 20 0 CEADMP CNC(=O)CC[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000353182529 370058937 /nfs/dbraw/zinc/05/89/37/370058937.db2.gz OIJOTSXGKBIGCA-MRXNPFEDSA-N 2 1 295.471 2.243 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353511360 370114748 /nfs/dbraw/zinc/11/47/48/370114748.db2.gz AZMZAJWMDZTOEF-NXOAAHMSSA-N 2 1 282.472 2.494 20 0 CEADMP C[N@@H+](CC1CCSCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000637929837 370178280 /nfs/dbraw/zinc/17/82/80/370178280.db2.gz GXGUSOUVZPPFBH-CQSZACIVSA-N 2 1 256.459 2.403 20 0 CEADMP C[NH+](CC1CCSCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000637929837 370178282 /nfs/dbraw/zinc/17/82/82/370178282.db2.gz GXGUSOUVZPPFBH-CQSZACIVSA-N 2 1 256.459 2.403 20 0 CEADMP C[NH+](CC1CCSCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637929837 370178286 /nfs/dbraw/zinc/17/82/86/370178286.db2.gz GXGUSOUVZPPFBH-CQSZACIVSA-N 2 1 256.459 2.403 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@](C)(OC)C2CC2)CC1 ZINC000637887687 370147530 /nfs/dbraw/zinc/14/75/30/370147530.db2.gz XFVILRFXYURIRG-OAHLLOKOSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@](C)(OC)C2CC2)CC1 ZINC000637887687 370147536 /nfs/dbraw/zinc/14/75/36/370147536.db2.gz XFVILRFXYURIRG-OAHLLOKOSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(=O)[nH]c2)CC1 ZINC000637890399 370150815 /nfs/dbraw/zinc/15/08/15/370150815.db2.gz YFYOYUBBNSUXAK-UHFFFAOYSA-N 2 1 263.385 2.092 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(=O)[nH]c2)CC1 ZINC000637890399 370150819 /nfs/dbraw/zinc/15/08/19/370150819.db2.gz YFYOYUBBNSUXAK-UHFFFAOYSA-N 2 1 263.385 2.092 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000353988389 370165206 /nfs/dbraw/zinc/16/52/06/370165206.db2.gz VIUMSCBLBYLEKZ-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000353988389 370165210 /nfs/dbraw/zinc/16/52/10/370165210.db2.gz VIUMSCBLBYLEKZ-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000354181219 370247813 /nfs/dbraw/zinc/24/78/13/370247813.db2.gz LCXGXHXVZRUFJB-KKUMJFAQSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1CCCCC1 ZINC000354075503 370204928 /nfs/dbraw/zinc/20/49/28/370204928.db2.gz MRVORTRKRAMNIB-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCOCC2)C1 ZINC000638122157 370318560 /nfs/dbraw/zinc/31/85/60/370318560.db2.gz IZNBTKFSSFMEHI-DOTOQJQBSA-N 2 1 298.471 2.092 20 0 CEADMP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000224291059 370277768 /nfs/dbraw/zinc/27/77/68/370277768.db2.gz XJDWUXUAMBUVMZ-KBPBESRZSA-N 2 1 275.396 2.074 20 0 CEADMP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000638070547 370279769 /nfs/dbraw/zinc/27/97/69/370279769.db2.gz ZDANIFMGDGCXMM-QWHCGFSZSA-N 2 1 293.411 2.039 20 0 CEADMP CC[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000638076471 370283003 /nfs/dbraw/zinc/28/30/03/370283003.db2.gz QDZXQLOJHOOQQF-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000638086894 370289943 /nfs/dbraw/zinc/28/99/43/370289943.db2.gz WYNAPYNJUMLCHD-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc(OC)s2)C[C@@H]1C ZINC000638112587 370308758 /nfs/dbraw/zinc/30/87/58/370308758.db2.gz YZGZKBNTUCAOHZ-RYUDHWBXSA-N 2 1 283.441 2.456 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000227067158 370357648 /nfs/dbraw/zinc/35/76/48/370357648.db2.gz OOJFUHFNAZWNGH-KSZLIROESA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000227067158 370357652 /nfs/dbraw/zinc/35/76/52/370357652.db2.gz OOJFUHFNAZWNGH-KSZLIROESA-N 2 1 287.451 2.368 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccn(C(F)F)c2=O)C1 ZINC000638135399 370329740 /nfs/dbraw/zinc/32/97/40/370329740.db2.gz UGTHTHBXXBOMIS-GFCCVEGCSA-N 2 1 299.365 2.017 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccn(C(F)F)c2=O)C1 ZINC000638135399 370329742 /nfs/dbraw/zinc/32/97/42/370329742.db2.gz UGTHTHBXXBOMIS-GFCCVEGCSA-N 2 1 299.365 2.017 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccn(C(F)F)c2=O)C1 ZINC000638135399 370329743 /nfs/dbraw/zinc/32/97/43/370329743.db2.gz UGTHTHBXXBOMIS-GFCCVEGCSA-N 2 1 299.365 2.017 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccn(C(F)F)c2=O)C1 ZINC000638135399 370329744 /nfs/dbraw/zinc/32/97/44/370329744.db2.gz UGTHTHBXXBOMIS-GFCCVEGCSA-N 2 1 299.365 2.017 20 0 CEADMP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226329056 370335406 /nfs/dbraw/zinc/33/54/06/370335406.db2.gz REVIZLMOZRBYKK-CVEARBPZSA-N 2 1 297.487 2.378 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC000228496918 370405378 /nfs/dbraw/zinc/40/53/78/370405378.db2.gz XAERSCZEDHZVJO-QWRGUYRKSA-N 2 1 280.799 2.444 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC000228496918 370405383 /nfs/dbraw/zinc/40/53/83/370405383.db2.gz XAERSCZEDHZVJO-QWRGUYRKSA-N 2 1 280.799 2.444 20 0 CEADMP COc1cc(C[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)ccn1 ZINC000638338307 370454419 /nfs/dbraw/zinc/45/44/19/370454419.db2.gz VOODBTTXHATNFE-AWEZNQCLSA-N 2 1 279.428 2.341 20 0 CEADMP CC[C@H](C[NH2+]C1CC(n2cccn2)C1)[NH+]1CCCC1 ZINC000638353520 370463262 /nfs/dbraw/zinc/46/32/62/370463262.db2.gz ALXUWYCBTGLBEX-SHARSMKWSA-N 2 1 262.401 2.051 20 0 CEADMP CC[C@H](C)[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)OC ZINC000638358574 370468423 /nfs/dbraw/zinc/46/84/23/370468423.db2.gz FUVUSGYPYHXTAO-GUTXKFCHSA-N 2 1 254.418 2.121 20 0 CEADMP Nc1c(F)cccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000638384510 370489245 /nfs/dbraw/zinc/48/92/45/370489245.db2.gz WBGYDAVNCDEBPU-UHFFFAOYSA-N 2 1 277.387 2.372 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+]CCCn2cc[nH+]c2C)ccn1 ZINC000638387836 370492373 /nfs/dbraw/zinc/49/23/73/370492373.db2.gz YLTUJZBWJOGQFD-CYBMUJFWSA-N 2 1 288.395 2.206 20 0 CEADMP Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000231855224 370496274 /nfs/dbraw/zinc/49/62/74/370496274.db2.gz CSMONFFDPVWOBG-BETUJISGSA-N 2 1 250.773 2.300 20 0 CEADMP Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000231855224 370496276 /nfs/dbraw/zinc/49/62/76/370496276.db2.gz CSMONFFDPVWOBG-BETUJISGSA-N 2 1 250.773 2.300 20 0 CEADMP CO[C@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCC1 ZINC000639119998 370996559 /nfs/dbraw/zinc/99/65/59/370996559.db2.gz KFENRZMKGZWDCE-NVXWUHKLSA-N 2 1 298.471 2.282 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)C1 ZINC000638566717 370609130 /nfs/dbraw/zinc/60/91/30/370609130.db2.gz OEJIPZWGHPOXPN-OAGGEKHMSA-N 2 1 295.471 2.144 20 0 CEADMP Cc1[nH+]ccc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1Cl ZINC000355686802 370611821 /nfs/dbraw/zinc/61/18/21/370611821.db2.gz VOBLYTCUTHCSDR-LLVKDONJSA-N 2 1 297.830 2.325 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000358396840 371048139 /nfs/dbraw/zinc/04/81/39/371048139.db2.gz JWGFIAYDDOHLCR-CRAIPNDOSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000358396840 371048141 /nfs/dbraw/zinc/04/81/41/371048141.db2.gz JWGFIAYDDOHLCR-CRAIPNDOSA-N 2 1 287.451 2.191 20 0 CEADMP CC(C)C1(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000639137157 371015354 /nfs/dbraw/zinc/01/53/54/371015354.db2.gz SYUYDPGXDCJEOB-UHFFFAOYSA-N 2 1 267.461 2.038 20 0 CEADMP FC(F)(F)CSCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358332166 371018896 /nfs/dbraw/zinc/01/88/96/371018896.db2.gz UOVCHBUIQBFDCW-GHMZBOCLSA-N 2 1 282.375 2.498 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000246924821 371032078 /nfs/dbraw/zinc/03/20/78/371032078.db2.gz GXGIXHGJNXLYKD-QRJUGERDSA-N 2 1 268.445 2.367 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000246924821 371032083 /nfs/dbraw/zinc/03/20/83/371032083.db2.gz GXGIXHGJNXLYKD-QRJUGERDSA-N 2 1 268.445 2.367 20 0 CEADMP CCC[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC000639162113 371036317 /nfs/dbraw/zinc/03/63/17/371036317.db2.gz KXLMXIRPQWKWIU-IZGVIRRGSA-N 2 1 254.418 2.359 20 0 CEADMP CCC[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000639162113 371036322 /nfs/dbraw/zinc/03/63/22/371036322.db2.gz KXLMXIRPQWKWIU-IZGVIRRGSA-N 2 1 254.418 2.359 20 0 CEADMP CCC[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000639162113 371036327 /nfs/dbraw/zinc/03/63/27/371036327.db2.gz KXLMXIRPQWKWIU-IZGVIRRGSA-N 2 1 254.418 2.359 20 0 CEADMP CCC[C@H](C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)OC ZINC000639176406 371052447 /nfs/dbraw/zinc/05/24/47/371052447.db2.gz FZVILFRGNFWEGS-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP CCCOc1ncccc1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247035987 371052489 /nfs/dbraw/zinc/05/24/89/371052489.db2.gz MKLJFASSWGKFCY-DZGCQCFKSA-N 2 1 277.412 2.443 20 0 CEADMP CCCN(C)Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000683581772 541836242 /nfs/dbraw/zinc/83/62/42/541836242.db2.gz QLBGMXNBJBXMNI-YHWZYXNKSA-N 2 1 278.400 2.252 20 0 CEADMP CCC[N@H+](C)Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH+]3C)no1 ZINC000683581772 541836247 /nfs/dbraw/zinc/83/62/47/541836247.db2.gz QLBGMXNBJBXMNI-YHWZYXNKSA-N 2 1 278.400 2.252 20 0 CEADMP CCC[N@@H+](C)Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH+]3C)no1 ZINC000683581772 541836251 /nfs/dbraw/zinc/83/62/51/541836251.db2.gz QLBGMXNBJBXMNI-YHWZYXNKSA-N 2 1 278.400 2.252 20 0 CEADMP CCC[NH+](C)Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000683581772 541836255 /nfs/dbraw/zinc/83/62/55/541836255.db2.gz QLBGMXNBJBXMNI-YHWZYXNKSA-N 2 1 278.400 2.252 20 0 CEADMP CC(C)CCc1noc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000358522186 371101325 /nfs/dbraw/zinc/10/13/25/371101325.db2.gz ZMPORKFELMIHSO-UHFFFAOYSA-N 2 1 292.427 2.234 20 0 CEADMP CC(C)CCc1noc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000358522186 371101332 /nfs/dbraw/zinc/10/13/32/371101332.db2.gz ZMPORKFELMIHSO-UHFFFAOYSA-N 2 1 292.427 2.234 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000247969180 371150165 /nfs/dbraw/zinc/15/01/65/371150165.db2.gz HCVYEUFDRAVDOF-HOCLYGCPSA-N 2 1 289.423 2.335 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000247994739 371154044 /nfs/dbraw/zinc/15/40/44/371154044.db2.gz JUHTXSHUWDXENN-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000247994739 371154051 /nfs/dbraw/zinc/15/40/51/371154051.db2.gz JUHTXSHUWDXENN-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP CCC1(CC)CCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000721406873 802530838 /nfs/dbraw/zinc/53/08/38/802530838.db2.gz YVGMRLHNXIEQBD-CQSZACIVSA-N 2 1 256.434 2.342 20 0 CEADMP CCC1(CC)CCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000721406873 802530831 /nfs/dbraw/zinc/53/08/31/802530831.db2.gz YVGMRLHNXIEQBD-CQSZACIVSA-N 2 1 256.434 2.342 20 0 CEADMP CCC1(CC)CCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000721406873 802530836 /nfs/dbraw/zinc/53/08/36/802530836.db2.gz YVGMRLHNXIEQBD-CQSZACIVSA-N 2 1 256.434 2.342 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000358720047 371190936 /nfs/dbraw/zinc/19/09/36/371190936.db2.gz KFBBJBPEXISEGX-JSGCOSHPSA-N 2 1 294.468 2.042 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000358720047 371190941 /nfs/dbraw/zinc/19/09/41/371190941.db2.gz KFBBJBPEXISEGX-JSGCOSHPSA-N 2 1 294.468 2.042 20 0 CEADMP CO[C@@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000248426161 371193053 /nfs/dbraw/zinc/19/30/53/371193053.db2.gz OGJDMXSLWVGCIC-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c3ccccc32)[C@H](C)C1 ZINC000248676904 371233882 /nfs/dbraw/zinc/23/38/82/371233882.db2.gz ZLSOWRZVIDBMPZ-KGLIPLIRSA-N 2 1 285.391 2.126 20 0 CEADMP COCC1([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CCCCC1 ZINC000639336261 371247252 /nfs/dbraw/zinc/24/72/52/371247252.db2.gz AQSMRCRNTSQDQW-UHFFFAOYSA-N 2 1 298.471 2.161 20 0 CEADMP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000248834505 371252732 /nfs/dbraw/zinc/25/27/32/371252732.db2.gz LYIRCMDZVJDXDJ-KSZLIROESA-N 2 1 288.435 2.115 20 0 CEADMP CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000248837816 371253971 /nfs/dbraw/zinc/25/39/71/371253971.db2.gz KLMSOUMTGJFINE-GOEBONIOSA-N 2 1 290.455 2.452 20 0 CEADMP CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000248837816 371253977 /nfs/dbraw/zinc/25/39/77/371253977.db2.gz KLMSOUMTGJFINE-GOEBONIOSA-N 2 1 290.455 2.452 20 0 CEADMP CC[N@H+]1CC[C@H](NCC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000248860612 371256849 /nfs/dbraw/zinc/25/68/49/371256849.db2.gz GBFZEIJLYXZTRS-HOTGVXAUSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000248860612 371256856 /nfs/dbraw/zinc/25/68/56/371256856.db2.gz GBFZEIJLYXZTRS-HOTGVXAUSA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000248860612 371256860 /nfs/dbraw/zinc/25/68/60/371256860.db2.gz GBFZEIJLYXZTRS-HOTGVXAUSA-N 3 1 281.488 2.428 20 0 CEADMP COCc1ccc(C[N@@H+](C)[C@H]2CN3CCC2CC3)cc1 ZINC000639395538 371306969 /nfs/dbraw/zinc/30/69/69/371306969.db2.gz BOSJAFFBRWAYBS-KRWDZBQOSA-N 2 1 274.408 2.359 20 0 CEADMP COCc1ccc(CN(C)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000639395538 371306971 /nfs/dbraw/zinc/30/69/71/371306971.db2.gz BOSJAFFBRWAYBS-KRWDZBQOSA-N 2 1 274.408 2.359 20 0 CEADMP C[N@@H+](C[C@@H]1CC(C)(C)CO1)C[C@@H]1CCC[NH+](C)C1 ZINC000639494800 371360407 /nfs/dbraw/zinc/36/04/07/371360407.db2.gz MCGJTLNYKUQOOF-KGLIPLIRSA-N 2 1 254.418 2.075 20 0 CEADMP C[NH+](C[C@@H]1CC(C)(C)CO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000639494800 371360412 /nfs/dbraw/zinc/36/04/12/371360412.db2.gz MCGJTLNYKUQOOF-KGLIPLIRSA-N 2 1 254.418 2.075 20 0 CEADMP C[NH+](C[C@@H]1CC(C)(C)CO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000639494800 371360416 /nfs/dbraw/zinc/36/04/16/371360416.db2.gz MCGJTLNYKUQOOF-KGLIPLIRSA-N 2 1 254.418 2.075 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000251054445 371396730 /nfs/dbraw/zinc/39/67/30/371396730.db2.gz BRLXYTBKFYYZSM-OLZOCXBDSA-N 2 1 278.396 2.181 20 0 CEADMP COC[C@@H](C)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000249960959 371371559 /nfs/dbraw/zinc/37/15/59/371371559.db2.gz WLNPSDPMNFDYIJ-GJZGRUSLSA-N 2 1 254.418 2.077 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@@H](CC)CN1C(C)=O ZINC000359219173 371379852 /nfs/dbraw/zinc/37/98/52/371379852.db2.gz NJCRXKYANQTUEN-DLBZAZTESA-N 2 1 295.471 2.097 20 0 CEADMP CCc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000359336250 371434099 /nfs/dbraw/zinc/43/40/99/371434099.db2.gz VPJRBQQBALPVDT-CQSZACIVSA-N 2 1 291.439 2.405 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]([NH3+])[C@H](C)CC)CC1 ZINC000252446598 371439011 /nfs/dbraw/zinc/43/90/11/371439011.db2.gz XPEYHYDQGADKFK-GDBMZVCRSA-N 2 1 297.487 2.330 20 0 CEADMP CC1(C)CCC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000252540778 371454932 /nfs/dbraw/zinc/45/49/32/371454932.db2.gz CZCQDFJBHMVCIX-KKUMJFAQSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CCC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000252540778 371454935 /nfs/dbraw/zinc/45/49/35/371454935.db2.gz CZCQDFJBHMVCIX-KKUMJFAQSA-N 2 1 266.429 2.408 20 0 CEADMP c1cncc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639682939 371491577 /nfs/dbraw/zinc/49/15/77/371491577.db2.gz MKRGKUQQJBDAGF-UHFFFAOYSA-N 2 1 268.364 2.189 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252769158 371477227 /nfs/dbraw/zinc/47/72/27/371477227.db2.gz KIXSMXRGOFTEPP-KBPBESRZSA-N 2 1 278.396 2.133 20 0 CEADMP Cc1ncsc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252839149 371480977 /nfs/dbraw/zinc/48/09/77/371480977.db2.gz ASEMXYSNRBBWFG-SRVKXCTJSA-N 2 1 251.399 2.011 20 0 CEADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000253193866 371501327 /nfs/dbraw/zinc/50/13/27/371501327.db2.gz PDRBPSUWKRRSKD-CHWSQXEVSA-N 2 1 293.386 2.071 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000639768751 371557101 /nfs/dbraw/zinc/55/71/01/371557101.db2.gz UOPHIQBRHNCZST-IRXDYDNUSA-N 2 1 274.408 2.062 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000639768751 371557109 /nfs/dbraw/zinc/55/71/09/371557109.db2.gz UOPHIQBRHNCZST-IRXDYDNUSA-N 2 1 274.408 2.062 20 0 CEADMP Cn1c2ccccc2nc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757112 371545824 /nfs/dbraw/zinc/54/58/24/371545824.db2.gz FVBPHKPUIXYOMH-UHFFFAOYSA-N 2 1 298.434 2.491 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCC(F)(F)F)C2)CC1 ZINC000639755233 371546582 /nfs/dbraw/zinc/54/65/82/371546582.db2.gz IPUDGHXCYJYFLZ-UHFFFAOYSA-N 2 1 250.308 2.357 20 0 CEADMP CCC(C)(C)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763622 371551359 /nfs/dbraw/zinc/55/13/59/371551359.db2.gz RPIJOEASIUMTSC-HNNXBMFYSA-N 2 1 256.434 2.201 20 0 CEADMP CC(C)C[C@H](C)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767788 371555285 /nfs/dbraw/zinc/55/52/85/371555285.db2.gz SJZORZKWKQQEMW-GJZGRUSLSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(C)C ZINC000360958971 371562982 /nfs/dbraw/zinc/56/29/82/371562982.db2.gz UMVUETOOZIVHQI-HZPDHXFCSA-N 2 1 297.487 2.249 20 0 CEADMP CCOC(=O)CCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000360972503 371572747 /nfs/dbraw/zinc/57/27/47/371572747.db2.gz NGDGGCDXPMHILO-PMPSAXMXSA-N 2 1 294.439 2.136 20 0 CEADMP CCOC(=O)CCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360972503 371572755 /nfs/dbraw/zinc/57/27/55/371572755.db2.gz NGDGGCDXPMHILO-PMPSAXMXSA-N 2 1 294.439 2.136 20 0 CEADMP CCOC(=O)CCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360972503 371572759 /nfs/dbraw/zinc/57/27/59/371572759.db2.gz NGDGGCDXPMHILO-PMPSAXMXSA-N 2 1 294.439 2.136 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000353311939 220020739 /nfs/dbraw/zinc/02/07/39/220020739.db2.gz HULYMXXJJDNQGJ-OWCLPIDISA-N 2 1 277.412 2.376 20 0 CEADMP c1ccc(SCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261589796 371667350 /nfs/dbraw/zinc/66/73/50/371667350.db2.gz WMZQLJPVFVMROZ-OAHLLOKOSA-N 2 1 262.422 2.464 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1OC ZINC000261590040 371667557 /nfs/dbraw/zinc/66/75/57/371667557.db2.gz WQWVQMCWSMSFNT-MXWKQRLJSA-N 2 1 252.358 2.090 20 0 CEADMP C[C@H](N[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539121 371639442 /nfs/dbraw/zinc/63/94/42/371639442.db2.gz BPYNFRVXFBANBL-JQHSSLGASA-N 2 1 287.451 2.239 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261574772 371657690 /nfs/dbraw/zinc/65/76/90/371657690.db2.gz XTPJACNDNINFCF-ARFHVFGLSA-N 2 1 267.461 2.229 20 0 CEADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000261719451 371709967 /nfs/dbraw/zinc/70/99/67/371709967.db2.gz KCVABNZIZSMXID-XUJVJEKNSA-N 2 1 278.396 2.352 20 0 CEADMP CC(C)OCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982514 371710821 /nfs/dbraw/zinc/71/08/21/371710821.db2.gz DQRSEROVRYLLTQ-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP CC[C@@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)OC ZINC000639983846 371712960 /nfs/dbraw/zinc/71/29/60/371712960.db2.gz MSLDLGSXYLAHAV-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000261734465 371714067 /nfs/dbraw/zinc/71/40/67/371714067.db2.gz LKAQYQMPPTUWIB-MRXNPFEDSA-N 2 1 270.380 2.043 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000261753912 371720329 /nfs/dbraw/zinc/72/03/29/371720329.db2.gz LHFSKBDMZMQHBS-INIZCTEOSA-N 2 1 288.370 2.387 20 0 CEADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000361220027 371722040 /nfs/dbraw/zinc/72/20/40/371722040.db2.gz HYIUKVMUPIKJCT-HIFRSBDPSA-N 2 1 277.412 2.300 20 0 CEADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000361220027 371722047 /nfs/dbraw/zinc/72/20/47/371722047.db2.gz HYIUKVMUPIKJCT-HIFRSBDPSA-N 2 1 277.412 2.300 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261802679 371736007 /nfs/dbraw/zinc/73/60/07/371736007.db2.gz YXBSTRBRQQEWEO-GJZGRUSLSA-N 2 1 290.407 2.148 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261802679 371736014 /nfs/dbraw/zinc/73/60/14/371736014.db2.gz YXBSTRBRQQEWEO-GJZGRUSLSA-N 2 1 290.407 2.148 20 0 CEADMP c1cnc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000261630794 371683332 /nfs/dbraw/zinc/68/33/32/371683332.db2.gz BEQFHHRDRQFGFL-HOTGVXAUSA-N 2 1 267.376 2.276 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261657561 371693825 /nfs/dbraw/zinc/69/38/25/371693825.db2.gz DUOTXWDKHUBXKG-DZGCQCFKSA-N 2 1 283.460 2.131 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000261825520 371743318 /nfs/dbraw/zinc/74/33/18/371743318.db2.gz UFOSEQBHPITDSU-HNNXBMFYSA-N 2 1 295.814 2.339 20 0 CEADMP c1cnc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2c1 ZINC000261832357 371746114 /nfs/dbraw/zinc/74/61/14/371746114.db2.gz UXDGLJUKPZSKSH-NVXWUHKLSA-N 2 1 267.376 2.419 20 0 CEADMP c1cnc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2c1 ZINC000261832357 371746123 /nfs/dbraw/zinc/74/61/23/371746123.db2.gz UXDGLJUKPZSKSH-NVXWUHKLSA-N 2 1 267.376 2.419 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CCC(C)C)C1 ZINC000361275897 371754247 /nfs/dbraw/zinc/75/42/47/371754247.db2.gz CGXQIEMUKQBVGQ-HUUCEWRRSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CCC(C)C)C1 ZINC000361275897 371754253 /nfs/dbraw/zinc/75/42/53/371754253.db2.gz CGXQIEMUKQBVGQ-HUUCEWRRSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CCC(C)C)C1 ZINC000361275897 371754261 /nfs/dbraw/zinc/75/42/61/371754261.db2.gz CGXQIEMUKQBVGQ-HUUCEWRRSA-N 2 1 256.434 2.057 20 0 CEADMP Nc1ncc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000261886381 371760698 /nfs/dbraw/zinc/76/06/98/371760698.db2.gz SCKLHHHELULJEF-RISCZKNCSA-N 2 1 292.452 2.174 20 0 CEADMP Nc1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000261886381 371760703 /nfs/dbraw/zinc/76/07/03/371760703.db2.gz SCKLHHHELULJEF-RISCZKNCSA-N 2 1 292.452 2.174 20 0 CEADMP Nc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000261886381 371760712 /nfs/dbraw/zinc/76/07/12/371760712.db2.gz SCKLHHHELULJEF-RISCZKNCSA-N 2 1 292.452 2.174 20 0 CEADMP Nc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000261886381 371760716 /nfs/dbraw/zinc/76/07/16/371760716.db2.gz SCKLHHHELULJEF-RISCZKNCSA-N 2 1 292.452 2.174 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CCC(C)C)C1 ZINC000361300386 371769176 /nfs/dbraw/zinc/76/91/76/371769176.db2.gz KXIYSZGUGJBZOJ-JKSUJKDBSA-N 2 1 270.461 2.447 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CCC(C)C)C1 ZINC000361300386 371769179 /nfs/dbraw/zinc/76/91/79/371769179.db2.gz KXIYSZGUGJBZOJ-JKSUJKDBSA-N 2 1 270.461 2.447 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CCC(C)C)C1 ZINC000361300386 371769182 /nfs/dbraw/zinc/76/91/82/371769182.db2.gz KXIYSZGUGJBZOJ-JKSUJKDBSA-N 2 1 270.461 2.447 20 0 CEADMP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000361315486 371776322 /nfs/dbraw/zinc/77/63/22/371776322.db2.gz KWZWGPHUVODMPQ-ZWNOBZJWSA-N 2 1 267.442 2.232 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261950760 371781827 /nfs/dbraw/zinc/78/18/27/371781827.db2.gz NXCMRXQCXAIROB-WBMJQRKESA-N 2 1 262.397 2.427 20 0 CEADMP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000261954997 371783763 /nfs/dbraw/zinc/78/37/63/371783763.db2.gz OMYYCMRVRNMPHK-ZFWWWQNUSA-N 2 1 276.428 2.095 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000261954997 371783773 /nfs/dbraw/zinc/78/37/73/371783773.db2.gz OMYYCMRVRNMPHK-ZFWWWQNUSA-N 2 1 276.428 2.095 20 0 CEADMP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@]1(C)CC[NH2+]C1 ZINC000261953010 371784162 /nfs/dbraw/zinc/78/41/62/371784162.db2.gz GGMXQYFRQBBZST-BTFYYFJDSA-N 2 1 288.439 2.130 20 0 CEADMP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000262139626 371829458 /nfs/dbraw/zinc/82/94/58/371829458.db2.gz ZAJZRASWLMBWOX-SFHVURJKSA-N 2 1 296.418 2.273 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000262139626 371829461 /nfs/dbraw/zinc/82/94/61/371829461.db2.gz ZAJZRASWLMBWOX-SFHVURJKSA-N 2 1 296.418 2.273 20 0 CEADMP CO[C@]1(C)CCC[N@@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000361410110 371832660 /nfs/dbraw/zinc/83/26/60/371832660.db2.gz KBMLTNIAYLBROR-HUUCEWRRSA-N 2 1 254.418 2.362 20 0 CEADMP COCC[C@H]1CCCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262005474 371797036 /nfs/dbraw/zinc/79/70/36/371797036.db2.gz LUBXHPRYTIQSNM-CABCVRRESA-N 2 1 254.418 2.125 20 0 CEADMP CCc1cccc(F)c1C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000262014942 371799365 /nfs/dbraw/zinc/79/93/65/371799365.db2.gz VPKJIJNDELLARP-GFCCVEGCSA-N 2 1 250.361 2.429 20 0 CEADMP CCc1cccc(F)c1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000262014942 371799369 /nfs/dbraw/zinc/79/93/69/371799369.db2.gz VPKJIJNDELLARP-GFCCVEGCSA-N 2 1 250.361 2.429 20 0 CEADMP COc1cc(C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)cc(OC)c1 ZINC000262038233 371807548 /nfs/dbraw/zinc/80/75/48/371807548.db2.gz OWAIJQSNNGNRLN-INIZCTEOSA-N 2 1 278.396 2.135 20 0 CEADMP COc1cc(C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)cc(OC)c1 ZINC000262038233 371807556 /nfs/dbraw/zinc/80/75/56/371807556.db2.gz OWAIJQSNNGNRLN-INIZCTEOSA-N 2 1 278.396 2.135 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000262068714 371818703 /nfs/dbraw/zinc/81/87/03/371818703.db2.gz BTHCFMYVEZXQNX-HUUCEWRRSA-N 2 1 262.397 2.351 20 0 CEADMP CCCc1cccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262128055 371827507 /nfs/dbraw/zinc/82/75/07/371827507.db2.gz NKQOOCFATCBYMN-GOSISDBHSA-N 2 1 287.451 2.119 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000262635604 371890167 /nfs/dbraw/zinc/89/01/67/371890167.db2.gz HQAYLUKZTFZARX-GOEBONIOSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000262681577 371896586 /nfs/dbraw/zinc/89/65/86/371896586.db2.gz XVQHITPKDJMNED-OAHLLOKOSA-N 2 1 283.460 2.086 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CCCCCC[NH3+] ZINC000263234615 371932925 /nfs/dbraw/zinc/93/29/25/371932925.db2.gz DBHVAVPGIBTBMI-LSDHHAIUSA-N 2 1 283.460 2.132 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCOC[C@@H]1CCCO1 ZINC000640530722 372022411 /nfs/dbraw/zinc/02/24/11/372022411.db2.gz HHWIBEMAJJWUCT-KRWDZBQOSA-N 2 1 298.471 2.380 20 0 CEADMP Cc1cc(N2CCC(OCCC[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000267189368 372059102 /nfs/dbraw/zinc/05/91/02/372059102.db2.gz MCWJZFNYEZSGJK-UHFFFAOYSA-N 2 1 292.427 2.031 20 0 CEADMP O[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000640486482 372006795 /nfs/dbraw/zinc/00/67/95/372006795.db2.gz MIHFWDIKTNCTEC-QZTJIDSGSA-N 2 1 286.419 2.239 20 0 CEADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000361879621 372111827 /nfs/dbraw/zinc/11/18/27/372111827.db2.gz INCDZDONOLBRQI-MSOLQXFVSA-N 2 1 288.435 2.402 20 0 CEADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000361879621 372111831 /nfs/dbraw/zinc/11/18/31/372111831.db2.gz INCDZDONOLBRQI-MSOLQXFVSA-N 2 1 288.435 2.402 20 0 CEADMP CCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361888463 372116240 /nfs/dbraw/zinc/11/62/40/372116240.db2.gz JNAAEGVZVXJTCM-RDJZCZTQSA-N 2 1 276.424 2.402 20 0 CEADMP CCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361888463 372116243 /nfs/dbraw/zinc/11/62/43/372116243.db2.gz JNAAEGVZVXJTCM-RDJZCZTQSA-N 2 1 276.424 2.402 20 0 CEADMP C[N@@H+](CCc1ccccc1O)CC[C@H]1CCC[NH+]1C ZINC000344221071 217105779 /nfs/dbraw/zinc/10/57/79/217105779.db2.gz RXHAJRFXWOVVNB-OAHLLOKOSA-N 2 1 262.397 2.351 20 0 CEADMP C[N@H+](CCc1ccccc1O)CC[C@H]1CCC[NH+]1C ZINC000344221071 217105781 /nfs/dbraw/zinc/10/57/81/217105781.db2.gz RXHAJRFXWOVVNB-OAHLLOKOSA-N 2 1 262.397 2.351 20 0 CEADMP C[NH+](CCc1ccccc1O)CC[C@H]1CCC[N@@H+]1C ZINC000344221071 217105784 /nfs/dbraw/zinc/10/57/84/217105784.db2.gz RXHAJRFXWOVVNB-OAHLLOKOSA-N 2 1 262.397 2.351 20 0 CEADMP C[NH+](CCc1ccccc1O)CC[C@H]1CCC[N@H+]1C ZINC000344221071 217105788 /nfs/dbraw/zinc/10/57/88/217105788.db2.gz RXHAJRFXWOVVNB-OAHLLOKOSA-N 2 1 262.397 2.351 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)cc1 ZINC000268807358 372231580 /nfs/dbraw/zinc/23/15/80/372231580.db2.gz FZUVKIKDKRUILS-SWLSCSKDSA-N 2 1 298.390 2.062 20 0 CEADMP COCC[N@@H+](CCCn1ccnc1)[C@@H]1CC[C@H](C)C1 ZINC000362154494 372247465 /nfs/dbraw/zinc/24/74/65/372247465.db2.gz HQELPVMUBMNRJN-LSDHHAIUSA-N 2 1 265.401 2.410 20 0 CEADMP C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268869743 372264172 /nfs/dbraw/zinc/26/41/72/372264172.db2.gz UWOSPGWLHYORFE-IJEWVQPXSA-N 2 1 262.397 2.010 20 0 CEADMP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268869743 372264176 /nfs/dbraw/zinc/26/41/76/372264176.db2.gz UWOSPGWLHYORFE-IJEWVQPXSA-N 2 1 262.397 2.010 20 0 CEADMP C[C@H](CC[NH+](C)C)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269003802 372311901 /nfs/dbraw/zinc/31/19/01/372311901.db2.gz MGGMOFUKDXSLLS-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1(C)C ZINC000344328741 217154168 /nfs/dbraw/zinc/15/41/68/217154168.db2.gz MJBFEJNUJDBJRS-KGLIPLIRSA-N 2 1 252.402 2.042 20 0 CEADMP C[N@@H+](C[C@H]1CCCCO1)C1CC[NH+](C2CCOCC2)CC1 ZINC000362425600 372358276 /nfs/dbraw/zinc/35/82/76/372358276.db2.gz RQZMKBWGQABZAN-QGZVFWFLSA-N 2 1 296.455 2.131 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC000344350388 217162910 /nfs/dbraw/zinc/16/29/10/217162910.db2.gz IQCXNNZRKCWWFX-UHFFFAOYSA-N 2 1 288.420 2.285 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1C[NH+](CC)C[C@@H]1C ZINC000344412973 217186114 /nfs/dbraw/zinc/18/61/14/217186114.db2.gz UOKZHBFIRVCAPS-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1C[NH+](CC)C[C@@H]1C ZINC000344412973 217186115 /nfs/dbraw/zinc/18/61/15/217186115.db2.gz UOKZHBFIRVCAPS-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1C[N@H+](CC)C[C@@H]1C ZINC000344412973 217186116 /nfs/dbraw/zinc/18/61/16/217186116.db2.gz UOKZHBFIRVCAPS-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000344412973 217186118 /nfs/dbraw/zinc/18/61/18/217186118.db2.gz UOKZHBFIRVCAPS-XHSDSOJGSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641761129 372697863 /nfs/dbraw/zinc/69/78/63/372697863.db2.gz ODFQCVCGVOVZDG-LBPRGKRZSA-N 2 1 288.395 2.090 20 0 CEADMP C[C@H]1[C@H](NCc2ccncc2N)CC[N@@H+]1Cc1ccccc1 ZINC000641754795 372689592 /nfs/dbraw/zinc/68/95/92/372689592.db2.gz TYKGRLBMZCSXGL-KBXCAEBGSA-N 2 1 296.418 2.416 20 0 CEADMP C[C@H]1[C@H](NCc2ccncc2N)CC[N@H+]1Cc1ccccc1 ZINC000641754795 372689597 /nfs/dbraw/zinc/68/95/97/372689597.db2.gz TYKGRLBMZCSXGL-KBXCAEBGSA-N 2 1 296.418 2.416 20 0 CEADMP C[C@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000344546003 217227259 /nfs/dbraw/zinc/22/72/59/217227259.db2.gz YJLZQVIWYQWSOO-FXUDXRNXSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnc(C)s2)[C@H](C)C1 ZINC000344528174 217221910 /nfs/dbraw/zinc/22/19/10/217221910.db2.gz BJPWTECZRSAGQY-MFKMUULPSA-N 2 1 253.415 2.271 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnc(C)s2)[C@H](C)C1 ZINC000344528174 217221912 /nfs/dbraw/zinc/22/19/12/217221912.db2.gz BJPWTECZRSAGQY-MFKMUULPSA-N 2 1 253.415 2.271 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)sn1 ZINC000641798539 372740726 /nfs/dbraw/zinc/74/07/26/372740726.db2.gz JNVJYOXJYNPYJY-OLZOCXBDSA-N 2 1 265.426 2.355 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641801453 372743298 /nfs/dbraw/zinc/74/32/98/372743298.db2.gz CFSXWLRGYHQXFM-CFVMTHIKSA-N 2 1 289.423 2.346 20 0 CEADMP CC1(C)c2ccccc2CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000641800890 372743509 /nfs/dbraw/zinc/74/35/09/372743509.db2.gz HZOABTCRSBYYIA-OAHLLOKOSA-N 2 1 286.419 2.301 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000641802763 372746083 /nfs/dbraw/zinc/74/60/83/372746083.db2.gz OMIXHPFCBSXTDF-VXGBXAGGSA-N 2 1 299.777 2.133 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000641803900 372747967 /nfs/dbraw/zinc/74/79/67/372747967.db2.gz FXLASIKTRCFUMX-JSLGZRHDSA-N 2 1 295.471 2.031 20 0 CEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000641803696 372748872 /nfs/dbraw/zinc/74/88/72/372748872.db2.gz DMXPGQMDUBQRRW-RYUDHWBXSA-N 2 1 299.777 2.133 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1F ZINC000641804998 372750439 /nfs/dbraw/zinc/75/04/39/372750439.db2.gz MIHWBHWRNIJAQN-LEWSCRJBSA-N 2 1 293.386 2.177 20 0 CEADMP Cc1c(Cl)cccc1NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641804804 372750540 /nfs/dbraw/zinc/75/05/40/372750540.db2.gz JYQMXZMNBCQNAK-CHWSQXEVSA-N 2 1 295.814 2.302 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1cc(F)ccc1F ZINC000641808244 372756637 /nfs/dbraw/zinc/75/66/37/372756637.db2.gz UBZROIQQFAQSKM-HJIKLVIJSA-N 2 1 297.349 2.007 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000641797050 372735406 /nfs/dbraw/zinc/73/54/06/372735406.db2.gz QYEBZWSNODPQJH-WCQYABFASA-N 2 1 265.401 2.495 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000641797050 372735416 /nfs/dbraw/zinc/73/54/16/372735416.db2.gz QYEBZWSNODPQJH-WCQYABFASA-N 2 1 265.401 2.495 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000641798072 372737922 /nfs/dbraw/zinc/73/79/22/372737922.db2.gz GXHOBDBZFTZGSD-ZIAGYGMSSA-N 2 1 277.412 2.367 20 0 CEADMP COc1cc(C[N@H+](CCC[NH3+])CC2CCCC2)on1 ZINC000641797446 372738180 /nfs/dbraw/zinc/73/81/80/372738180.db2.gz BXYUDQGLFYXNQT-UHFFFAOYSA-N 2 1 267.373 2.024 20 0 CEADMP COc1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)on1 ZINC000641797446 372738188 /nfs/dbraw/zinc/73/81/88/372738188.db2.gz BXYUDQGLFYXNQT-UHFFFAOYSA-N 2 1 267.373 2.024 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)[C@@H]2CCC[C@@H]21 ZINC000353445810 220087781 /nfs/dbraw/zinc/08/77/81/220087781.db2.gz IRZORUQIYWECHA-QAETUUGQSA-N 2 1 286.419 2.453 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000353470780 220103597 /nfs/dbraw/zinc/10/35/97/220103597.db2.gz KUFDFHMKGXSJEO-RHSMWYFYSA-N 2 1 295.471 2.003 20 0 CEADMP CSC1(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CCC1 ZINC000365611890 372903494 /nfs/dbraw/zinc/90/34/94/372903494.db2.gz JMHHYDMFCXHNBJ-RBSFLKMASA-N 2 1 298.496 2.456 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000353505394 220123223 /nfs/dbraw/zinc/12/32/23/220123223.db2.gz DEEUUFGBSTXAEZ-PMPSAXMXSA-N 2 1 295.471 2.001 20 0 CEADMP Cn1ncc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc21 ZINC000643318765 373049234 /nfs/dbraw/zinc/04/92/34/373049234.db2.gz CFBMZVAQZRVBJZ-CVEARBPZSA-N 2 1 284.407 2.290 20 0 CEADMP Cn1ncc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc21 ZINC000643318767 373050202 /nfs/dbraw/zinc/05/02/02/373050202.db2.gz CFBMZVAQZRVBJZ-HZPDHXFCSA-N 2 1 284.407 2.290 20 0 CEADMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C1(C(=O)OC)CCC1 ZINC000353543909 220149211 /nfs/dbraw/zinc/14/92/11/220149211.db2.gz QGLLYGCVTPZZDC-AWEZNQCLSA-N 2 1 284.444 2.428 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000643511413 373172082 /nfs/dbraw/zinc/17/20/82/373172082.db2.gz GYRAGPGNIHVEFJ-RBSFLKMASA-N 2 1 254.418 2.441 20 0 CEADMP C([NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)[C@H]1CCCC[NH2+]1 ZINC000643502731 373161542 /nfs/dbraw/zinc/16/15/42/373161542.db2.gz OSRUNIAFBQGKQF-QKPAOTATSA-N 2 1 266.429 2.313 20 0 CEADMP COc1ccc2[nH]cc(CC[NH2+][C@@H]3C[NH2+]CC[C@H]3C)c2c1 ZINC000643453937 373123845 /nfs/dbraw/zinc/12/38/45/373123845.db2.gz MSEAPYXTABEMEP-SJKOYZFVSA-N 2 1 287.407 2.307 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccccc1Cl ZINC000643467549 373136443 /nfs/dbraw/zinc/13/64/43/373136443.db2.gz UDISTMNUZLMODW-BFHYXJOUSA-N 2 1 268.788 2.497 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000643483924 373148812 /nfs/dbraw/zinc/14/88/12/373148812.db2.gz RAGPYPAAYIMGLF-HZMBPMFUSA-N 2 1 254.324 2.095 20 0 CEADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2cc(F)cc3F)CCC1 ZINC000643517853 373175636 /nfs/dbraw/zinc/17/56/36/373175636.db2.gz LXKXWHMIBMICQQ-ZDUSSCGKSA-N 2 1 252.308 2.423 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(Br)c1 ZINC000643526053 373183556 /nfs/dbraw/zinc/18/35/56/373183556.db2.gz OIDVZRYRIZFGGG-DTWKUNHWSA-N 2 1 257.175 2.447 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+](CCCO)Cc1ccccc1 ZINC000271311586 373187305 /nfs/dbraw/zinc/18/73/05/373187305.db2.gz RFCDWBRGIBFITK-KRWDZBQOSA-N 2 1 276.424 2.355 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+](CCCO)Cc1ccccc1 ZINC000271311586 373187315 /nfs/dbraw/zinc/18/73/15/373187315.db2.gz RFCDWBRGIBFITK-KRWDZBQOSA-N 2 1 276.424 2.355 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+](CCCO)Cc1ccccc1 ZINC000271311586 373187322 /nfs/dbraw/zinc/18/73/22/373187322.db2.gz RFCDWBRGIBFITK-KRWDZBQOSA-N 2 1 276.424 2.355 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCCO)Cc1ccccc1 ZINC000271311586 373187334 /nfs/dbraw/zinc/18/73/34/373187334.db2.gz RFCDWBRGIBFITK-KRWDZBQOSA-N 2 1 276.424 2.355 20 0 CEADMP c1c[nH]c([C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2ccccc2)n1 ZINC000643535075 373192600 /nfs/dbraw/zinc/19/26/00/373192600.db2.gz IPLHGFZLKHUFDR-HUUCEWRRSA-N 2 1 282.391 2.231 20 0 CEADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)C2 ZINC000368846414 373275165 /nfs/dbraw/zinc/27/51/65/373275165.db2.gz QQKXIOZVZDOJOA-DZGCQCFKSA-N 2 1 298.390 2.123 20 0 CEADMP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000368270560 373230566 /nfs/dbraw/zinc/23/05/66/373230566.db2.gz YOYXVPQONRKBHN-IPMKNSEASA-N 2 1 299.462 2.254 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000368270560 373230573 /nfs/dbraw/zinc/23/05/73/373230573.db2.gz YOYXVPQONRKBHN-IPMKNSEASA-N 2 1 299.462 2.254 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(CO)c1 ZINC000271997386 373253964 /nfs/dbraw/zinc/25/39/64/373253964.db2.gz RESRMEPHWKFNMZ-CYBMUJFWSA-N 2 1 260.381 2.091 20 0 CEADMP Cc1ccc2[nH+]ccc(N3CCC[N@H+]([C@H](C)CO)CC3)c2c1 ZINC000344996865 217381430 /nfs/dbraw/zinc/38/14/30/217381430.db2.gz UFURQLMYJVWHBK-OAHLLOKOSA-N 2 1 299.418 2.436 20 0 CEADMP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@]2(CCCOC2)O1 ZINC000369531336 373446370 /nfs/dbraw/zinc/44/63/70/373446370.db2.gz KNMGKWFNFPWKKN-BBWFWOEESA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@]2(CCCOC2)O1 ZINC000369531336 373446374 /nfs/dbraw/zinc/44/63/74/373446374.db2.gz KNMGKWFNFPWKKN-BBWFWOEESA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@]2(CCCOC2)O1 ZINC000369531336 373446376 /nfs/dbraw/zinc/44/63/76/373446376.db2.gz KNMGKWFNFPWKKN-BBWFWOEESA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@]2(CCCOC2)O1 ZINC000369531336 373446378 /nfs/dbraw/zinc/44/63/78/373446378.db2.gz KNMGKWFNFPWKKN-BBWFWOEESA-N 2 1 296.455 2.131 20 0 CEADMP CC1(C)C[NH+](CCC[N@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000369586191 373464379 /nfs/dbraw/zinc/46/43/79/373464379.db2.gz WKRZVMWQWYMLNV-UHFFFAOYSA-N 2 1 298.471 2.378 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000272399234 373465494 /nfs/dbraw/zinc/46/54/94/373465494.db2.gz JRYIDKNAHYDSER-DZGCQCFKSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000272399234 373465504 /nfs/dbraw/zinc/46/55/04/373465504.db2.gz JRYIDKNAHYDSER-DZGCQCFKSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000272399234 373465512 /nfs/dbraw/zinc/46/55/12/373465512.db2.gz JRYIDKNAHYDSER-DZGCQCFKSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000272399234 373465519 /nfs/dbraw/zinc/46/55/19/373465519.db2.gz JRYIDKNAHYDSER-DZGCQCFKSA-N 2 1 290.407 2.317 20 0 CEADMP O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000644552211 373526501 /nfs/dbraw/zinc/52/65/01/373526501.db2.gz HFXVUPQWRIDPTI-WUHRBBMRSA-N 2 1 292.345 2.049 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC1(C)CC1 ZINC000644635419 373573473 /nfs/dbraw/zinc/57/34/73/373573473.db2.gz ILOBSAPDWWUYPR-MRXNPFEDSA-N 2 1 276.424 2.259 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC1(C)CC1 ZINC000644635419 373573478 /nfs/dbraw/zinc/57/34/78/373573478.db2.gz ILOBSAPDWWUYPR-MRXNPFEDSA-N 2 1 276.424 2.259 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683927214 541890127 /nfs/dbraw/zinc/89/01/27/541890127.db2.gz GGEMQTUXZPFTRC-UHFFFAOYSA-N 2 1 275.396 2.226 20 0 CEADMP Cc1noc(C2(C)CC[NH+](CCC[NH+]3CCCC3)CC2)n1 ZINC000371569519 373925261 /nfs/dbraw/zinc/92/52/61/373925261.db2.gz MAPJOFUJNUWLJG-UHFFFAOYSA-N 2 1 292.427 2.217 20 0 CEADMP CCc1ccc([C@H](C)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)o1 ZINC000372064690 374035487 /nfs/dbraw/zinc/03/54/87/374035487.db2.gz IBHYHBGVUPAPSW-YDHLFZDLSA-N 2 1 278.396 2.356 20 0 CEADMP CC/C=C/CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000372520504 374148806 /nfs/dbraw/zinc/14/88/06/374148806.db2.gz FXIVVQXVKFBNEP-DWTRPJMMSA-N 2 1 265.445 2.055 20 0 CEADMP COc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1OC ZINC000275253774 374197225 /nfs/dbraw/zinc/19/72/25/374197225.db2.gz IXJPRVLXHJMPGW-HIFRSBDPSA-N 2 1 292.423 2.476 20 0 CEADMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000275253774 374197243 /nfs/dbraw/zinc/19/72/43/374197243.db2.gz IXJPRVLXHJMPGW-HIFRSBDPSA-N 2 1 292.423 2.476 20 0 CEADMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000275253774 374197250 /nfs/dbraw/zinc/19/72/50/374197250.db2.gz IXJPRVLXHJMPGW-HIFRSBDPSA-N 2 1 292.423 2.476 20 0 CEADMP C[N@@H+](CCC[C@H]1CCOC1)C[C@@H]1CCC[NH+](C)C1 ZINC000645807792 374197441 /nfs/dbraw/zinc/19/74/41/374197441.db2.gz HPUVZODYUHKXPA-GJZGRUSLSA-N 2 1 254.418 2.077 20 0 CEADMP C[NH+](CCC[C@H]1CCOC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000645807792 374197445 /nfs/dbraw/zinc/19/74/45/374197445.db2.gz HPUVZODYUHKXPA-GJZGRUSLSA-N 2 1 254.418 2.077 20 0 CEADMP C[NH+](CCC[C@H]1CCOC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000645807792 374197450 /nfs/dbraw/zinc/19/74/50/374197450.db2.gz HPUVZODYUHKXPA-GJZGRUSLSA-N 2 1 254.418 2.077 20 0 CEADMP C[N@@H+](CCC[C@H]1CCOC1)C[C@H]1CCC[NH+](C)C1 ZINC000645807794 374198215 /nfs/dbraw/zinc/19/82/15/374198215.db2.gz HPUVZODYUHKXPA-LSDHHAIUSA-N 2 1 254.418 2.077 20 0 CEADMP C[NH+](CCC[C@H]1CCOC1)C[C@H]1CCC[N@H+](C)C1 ZINC000645807794 374198222 /nfs/dbraw/zinc/19/82/22/374198222.db2.gz HPUVZODYUHKXPA-LSDHHAIUSA-N 2 1 254.418 2.077 20 0 CEADMP C[NH+](CCC[C@H]1CCOC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000645807794 374198227 /nfs/dbraw/zinc/19/82/27/374198227.db2.gz HPUVZODYUHKXPA-LSDHHAIUSA-N 2 1 254.418 2.077 20 0 CEADMP OC(C[NH+]1CCC[C@@H]1C1CC1)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000373144166 374277755 /nfs/dbraw/zinc/27/77/55/374277755.db2.gz BAJOERVPAADFIT-IAGOWNOFSA-N 2 1 278.440 2.096 20 0 CEADMP c1cn(CCC[N@@H+]2CCC[C@@H](N3CCCCC3)C2)cn1 ZINC000373222815 374298373 /nfs/dbraw/zinc/29/83/73/374298373.db2.gz DQIKTRJSGXALOM-MRXNPFEDSA-N 2 1 276.428 2.224 20 0 CEADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H]1OC ZINC000373224055 374299137 /nfs/dbraw/zinc/29/91/37/374299137.db2.gz OHJURQOCRLTXNK-KLHDSHLOSA-N 2 1 296.455 2.033 20 0 CEADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@H]1OC ZINC000373224055 374299144 /nfs/dbraw/zinc/29/91/44/374299144.db2.gz OHJURQOCRLTXNK-KLHDSHLOSA-N 2 1 296.455 2.033 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000373232243 374300667 /nfs/dbraw/zinc/30/06/67/374300667.db2.gz ZUCMMQJDAFQDOF-ZNMIVQPWSA-N 2 1 277.412 2.375 20 0 CEADMP Cn1cncc1C[N@H+](C)[C@H]1CCCc2cccnc21 ZINC000373635004 374395316 /nfs/dbraw/zinc/39/53/16/374395316.db2.gz BHABCCAUWGRTAS-AWEZNQCLSA-N 2 1 256.353 2.325 20 0 CEADMP Cc1nc(C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC000374533904 374590842 /nfs/dbraw/zinc/59/08/42/374590842.db2.gz JQNBMZINGDYUNF-HNNXBMFYSA-N 2 1 292.427 2.432 20 0 CEADMP Cc1nc(C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000374533904 374590850 /nfs/dbraw/zinc/59/08/50/374590850.db2.gz JQNBMZINGDYUNF-HNNXBMFYSA-N 2 1 292.427 2.432 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CCC([NH+]2CCCC2)CC1 ZINC000374553842 374597859 /nfs/dbraw/zinc/59/78/59/374597859.db2.gz GUNJOWQBTFTQQG-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccs2)CCCO1 ZINC000277692018 374612907 /nfs/dbraw/zinc/61/29/07/374612907.db2.gz HLKOJQFLEDYGNB-ZDUSSCGKSA-N 2 1 268.426 2.339 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccs2)CCCO1 ZINC000277692018 374612912 /nfs/dbraw/zinc/61/29/12/374612912.db2.gz HLKOJQFLEDYGNB-ZDUSSCGKSA-N 2 1 268.426 2.339 20 0 CEADMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCCC3)C2 ZINC000375839099 374684245 /nfs/dbraw/zinc/68/42/45/374684245.db2.gz HRUMDIBOPURFKD-SJXGUFTOSA-N 2 1 287.407 2.135 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccccn3)C2)CC1 ZINC000376675058 374716359 /nfs/dbraw/zinc/71/63/59/374716359.db2.gz WZNNBJWBCPYDEQ-UHFFFAOYSA-N 2 1 259.397 2.389 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000278165382 374737984 /nfs/dbraw/zinc/73/79/84/374737984.db2.gz ATGWBOKVZGWSNQ-GVDBMIGSSA-N 2 1 274.408 2.245 20 0 CEADMP Cc1nc(F)ccc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000278359143 374792716 /nfs/dbraw/zinc/79/27/16/374792716.db2.gz ISCAFBLCOSBGII-KGLIPLIRSA-N 2 1 265.376 2.492 20 0 CEADMP C[C@@H]([NH2+]CCCCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279479325 374890550 /nfs/dbraw/zinc/89/05/50/374890550.db2.gz KQCOMXIYJCZWLL-WBVHZDCISA-N 2 1 276.424 2.259 20 0 CEADMP OCCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377319463 374836648 /nfs/dbraw/zinc/83/66/48/374836648.db2.gz XLIZOSICFJXDLP-ZWKOTPCHSA-N 2 1 288.435 2.213 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(O)c1 ZINC000378370355 375084192 /nfs/dbraw/zinc/08/41/92/375084192.db2.gz LDNNITRCZWHQAF-HYVNUMGLSA-N 2 1 290.407 2.076 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(O)c1 ZINC000378370355 375084195 /nfs/dbraw/zinc/08/41/95/375084195.db2.gz LDNNITRCZWHQAF-HYVNUMGLSA-N 2 1 290.407 2.076 20 0 CEADMP Cc1[nH+]c(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2n1CCCC2 ZINC000378431177 375098872 /nfs/dbraw/zinc/09/88/72/375098872.db2.gz NXTIUYZWONJVSN-GJZGRUSLSA-N 2 1 288.439 2.244 20 0 CEADMP Cc1[nH+]c(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c2n1CCCC2 ZINC000378431177 375098880 /nfs/dbraw/zinc/09/88/80/375098880.db2.gz NXTIUYZWONJVSN-GJZGRUSLSA-N 2 1 288.439 2.244 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(OC)c1 ZINC000380413728 375163167 /nfs/dbraw/zinc/16/31/67/375163167.db2.gz UXAHTNZVAKFDCQ-MLGOLLRUSA-N 2 1 278.396 2.121 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(OC)c1 ZINC000380413728 375163173 /nfs/dbraw/zinc/16/31/73/375163173.db2.gz UXAHTNZVAKFDCQ-MLGOLLRUSA-N 2 1 278.396 2.121 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCC3(C1)CCOCC3)C[NH2+]CC2 ZINC000385857692 375246229 /nfs/dbraw/zinc/24/62/29/375246229.db2.gz IJAFNINGDHKNBG-UHFFFAOYSA-N 2 1 286.419 2.335 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000382908525 375195088 /nfs/dbraw/zinc/19/50/88/375195088.db2.gz WCTAJTYTUJUJLM-ZIAGYGMSSA-N 2 1 268.445 2.248 20 0 CEADMP COc1ccncc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000393268182 375324154 /nfs/dbraw/zinc/32/41/54/375324154.db2.gz XFTJEBWVWUBTBX-WBVHZDCISA-N 2 1 297.402 2.265 20 0 CEADMP COc1ccncc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000393268182 375324165 /nfs/dbraw/zinc/32/41/65/375324165.db2.gz XFTJEBWVWUBTBX-WBVHZDCISA-N 2 1 297.402 2.265 20 0 CEADMP C[C@H](NC[C@H](c1ccco1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000386532161 375261825 /nfs/dbraw/zinc/26/18/25/375261825.db2.gz AUVNEZYNKWPCGN-BFHYXJOUSA-N 2 1 265.401 2.003 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](C)C(C)(C)C ZINC000399523749 375365862 /nfs/dbraw/zinc/36/58/62/375365862.db2.gz RMCGUXURMZTZMA-KGLIPLIRSA-N 2 1 258.450 2.302 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000399523749 375365865 /nfs/dbraw/zinc/36/58/65/375365865.db2.gz RMCGUXURMZTZMA-KGLIPLIRSA-N 2 1 258.450 2.302 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000399523749 375365866 /nfs/dbraw/zinc/36/58/66/375365866.db2.gz RMCGUXURMZTZMA-KGLIPLIRSA-N 2 1 258.450 2.302 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400407689 375372114 /nfs/dbraw/zinc/37/21/14/375372114.db2.gz RZQPQBVNAOKXLP-RRFJBIMHSA-N 2 1 255.450 2.227 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000282941463 375619920 /nfs/dbraw/zinc/61/99/20/375619920.db2.gz ISQZCIGYOJFLOU-MRXNPFEDSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1c[nH+]cn1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000684479457 542019721 /nfs/dbraw/zinc/01/97/21/542019721.db2.gz IGJHUFLOUZSRQO-UHFFFAOYSA-N 2 1 292.427 2.087 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2cccnc2)CC[N@H+]1C ZINC000414335578 375833519 /nfs/dbraw/zinc/83/35/19/375833519.db2.gz OQNHQWVGEXTLIM-DZGCQCFKSA-N 2 1 261.413 2.432 20 0 CEADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000414659936 375905978 /nfs/dbraw/zinc/90/59/78/375905978.db2.gz UKVIKOYJTBUFBL-ZDUSSCGKSA-N 2 1 288.370 2.100 20 0 CEADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000414659936 375905982 /nfs/dbraw/zinc/90/59/82/375905982.db2.gz UKVIKOYJTBUFBL-ZDUSSCGKSA-N 2 1 288.370 2.100 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCOC[C@@H]2Cc2ccccc2)CC[NH2+]1 ZINC000414668568 375909715 /nfs/dbraw/zinc/90/97/15/375909715.db2.gz AGPZIMZUXOSLBD-NJAFHUGGSA-N 2 1 288.435 2.318 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000414764736 375955497 /nfs/dbraw/zinc/95/54/97/375955497.db2.gz YZUMBGYHHIGIHZ-AWEZNQCLSA-N 2 1 277.412 2.465 20 0 CEADMP C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CC([NH3+])C1 ZINC000414765300 375957511 /nfs/dbraw/zinc/95/75/11/375957511.db2.gz BPMCSJHDVZBDOL-UHFFFAOYSA-N 2 1 274.343 2.137 20 0 CEADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CC([NH3+])C1 ZINC000414765300 375957519 /nfs/dbraw/zinc/95/75/19/375957519.db2.gz BPMCSJHDVZBDOL-UHFFFAOYSA-N 2 1 274.343 2.137 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000414795555 375981038 /nfs/dbraw/zinc/98/10/38/375981038.db2.gz AYTLRHYYLVMNSX-UHFFFAOYSA-N 2 1 252.406 2.314 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC2CC[NH2+]CC2)C1 ZINC000414783125 375967823 /nfs/dbraw/zinc/96/78/23/375967823.db2.gz GIHAKIKTMOVGLM-WMLDXEAASA-N 2 1 273.424 2.164 20 0 CEADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000414783125 375967827 /nfs/dbraw/zinc/96/78/27/375967827.db2.gz GIHAKIKTMOVGLM-WMLDXEAASA-N 2 1 273.424 2.164 20 0 CEADMP COc1ccc([C@H]2CCC[N@H+]2CCC[NH3+])cc1OC ZINC000414677786 375913944 /nfs/dbraw/zinc/91/39/44/375913944.db2.gz JRRISDADLGVMKP-CYBMUJFWSA-N 2 1 264.369 2.190 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](C)CCc2ccccc2O)CC[NH2+]1 ZINC000414713294 375936442 /nfs/dbraw/zinc/93/64/42/375936442.db2.gz ONQXRAJKCHWZCE-UONOGXRCSA-N 2 1 262.397 2.255 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCS1 ZINC000414714079 375936829 /nfs/dbraw/zinc/93/68/29/375936829.db2.gz WZBSENFVSGDMLT-MGPQQGTHSA-N 2 1 256.459 2.448 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](C)CCc2nccs2)CC[NH2+]1 ZINC000414715594 375936882 /nfs/dbraw/zinc/93/68/82/375936882.db2.gz YVTFYARHIUOTMD-NWDGAFQWSA-N 2 1 253.415 2.006 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414715781 375938417 /nfs/dbraw/zinc/93/84/17/375938417.db2.gz XPFISZCLXUAMCS-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP CCCN1CCC([N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414715781 375938420 /nfs/dbraw/zinc/93/84/20/375938420.db2.gz XPFISZCLXUAMCS-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP CCCN1CCC([N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414715781 375938425 /nfs/dbraw/zinc/93/84/25/375938425.db2.gz XPFISZCLXUAMCS-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000414795592 375979799 /nfs/dbraw/zinc/97/97/99/375979799.db2.gz NCRIXMKMWBKRIV-CMPLNLGQSA-N 2 1 251.399 2.238 20 0 CEADMP CCOC(=O)[C@H](CC)[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000414736233 375943300 /nfs/dbraw/zinc/94/33/00/375943300.db2.gz GJPYPENMUUZDBT-GUTXKFCHSA-N 2 1 282.428 2.181 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000414748514 375949462 /nfs/dbraw/zinc/94/94/62/375949462.db2.gz UROIGVVLYPCRIY-OAHLLOKOSA-N 2 1 267.461 2.038 20 0 CEADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1SC ZINC000414795328 375980200 /nfs/dbraw/zinc/98/02/00/375980200.db2.gz GRJNXTWRFFACGX-LBPRGKRZSA-N 2 1 266.410 2.244 20 0 CEADMP COc1cc(C)c(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)n1 ZINC000415058254 376018809 /nfs/dbraw/zinc/01/88/09/376018809.db2.gz UZRUZFSTEBAUGI-MLGOLLRUSA-N 2 1 277.412 2.124 20 0 CEADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000684825422 542073180 /nfs/dbraw/zinc/07/31/80/542073180.db2.gz OWDJRKAUORJXKU-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+]1CCC([NH2+][C@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000287051529 376138407 /nfs/dbraw/zinc/13/84/07/376138407.db2.gz MWYSHADMXNDPSX-OAHLLOKOSA-N 2 1 282.815 2.447 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287748156 376307658 /nfs/dbraw/zinc/30/76/58/376307658.db2.gz LMNWLPFAEZZUEX-IAGOWNOFSA-N 2 1 289.423 2.157 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287748156 376307661 /nfs/dbraw/zinc/30/76/61/376307661.db2.gz LMNWLPFAEZZUEX-IAGOWNOFSA-N 2 1 289.423 2.157 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287748156 376307662 /nfs/dbraw/zinc/30/76/62/376307662.db2.gz LMNWLPFAEZZUEX-IAGOWNOFSA-N 2 1 289.423 2.157 20 0 CEADMP COc1cc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c(F)cn1 ZINC000287857696 376329025 /nfs/dbraw/zinc/32/90/25/376329025.db2.gz XDUNVCQQCLDILK-VXGBXAGGSA-N 2 1 293.386 2.364 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCOCC3CCC3)CC[C@H]21 ZINC000419225345 376402076 /nfs/dbraw/zinc/40/20/76/376402076.db2.gz CODFXEAOPLATGR-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCOCC3CCC3)CC[C@H]21 ZINC000419225345 376402081 /nfs/dbraw/zinc/40/20/81/376402081.db2.gz CODFXEAOPLATGR-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOCC3CCC3)CC[C@H]21 ZINC000419225345 376402086 /nfs/dbraw/zinc/40/20/86/376402086.db2.gz CODFXEAOPLATGR-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CCOCC1CCC1)CC2 ZINC000419229325 376403623 /nfs/dbraw/zinc/40/36/23/376403623.db2.gz OIZYXWDXMPZWCL-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CCOCC1CCC1)CC2 ZINC000419229325 376403629 /nfs/dbraw/zinc/40/36/29/376403629.db2.gz OIZYXWDXMPZWCL-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP Brc1cc(C[NH2+]C2CC[NH2+]CC2)cs1 ZINC000306547545 376549472 /nfs/dbraw/zinc/54/94/72/376549472.db2.gz AYRNEXONIYHDBL-UHFFFAOYSA-N 2 1 275.215 2.352 20 0 CEADMP C[C@@H](C[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1)c1ccccc1 ZINC000289926089 376562411 /nfs/dbraw/zinc/56/24/11/376562411.db2.gz OVDMWPUJEHGECA-WMLDXEAASA-N 2 1 276.424 2.177 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1)c1ccccc1 ZINC000289926089 376562430 /nfs/dbraw/zinc/56/24/30/376562430.db2.gz OVDMWPUJEHGECA-WMLDXEAASA-N 2 1 276.424 2.177 20 0 CEADMP C[C@@H](C[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000289926089 376562438 /nfs/dbraw/zinc/56/24/38/376562438.db2.gz OVDMWPUJEHGECA-WMLDXEAASA-N 2 1 276.424 2.177 20 0 CEADMP C[C@@H](C[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000289926089 376562443 /nfs/dbraw/zinc/56/24/43/376562443.db2.gz OVDMWPUJEHGECA-WMLDXEAASA-N 2 1 276.424 2.177 20 0 CEADMP Cn1c(N[C@H]2CCCC[C@H]2C[NH3+])[nH+]c2cccc(F)c21 ZINC000420186708 376599129 /nfs/dbraw/zinc/59/91/29/376599129.db2.gz AWARCLUSYSJJCZ-JQWIXIFHSA-N 2 1 276.359 2.064 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]1C1CCCC1)C1CC1 ZINC000311469254 376671272 /nfs/dbraw/zinc/67/12/72/376671272.db2.gz XWQORIJQNXLUBG-HOTGVXAUSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1C1CCCC1)C1CC1 ZINC000311469254 376671282 /nfs/dbraw/zinc/67/12/82/376671282.db2.gz XWQORIJQNXLUBG-HOTGVXAUSA-N 2 1 266.429 2.096 20 0 CEADMP COc1ccc(C)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000310795627 376636512 /nfs/dbraw/zinc/63/65/12/376636512.db2.gz VWYXCAKXDYDWFR-CYBMUJFWSA-N 2 1 250.386 2.291 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000290085879 376637082 /nfs/dbraw/zinc/63/70/82/376637082.db2.gz VLVBTHOASIQGRP-SJLPKXTDSA-N 2 1 290.451 2.395 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290085879 376637090 /nfs/dbraw/zinc/63/70/90/376637090.db2.gz VLVBTHOASIQGRP-SJLPKXTDSA-N 2 1 290.451 2.395 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290085879 376637103 /nfs/dbraw/zinc/63/71/03/376637103.db2.gz VLVBTHOASIQGRP-SJLPKXTDSA-N 2 1 290.451 2.395 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290085879 376637111 /nfs/dbraw/zinc/63/71/11/376637111.db2.gz VLVBTHOASIQGRP-SJLPKXTDSA-N 2 1 290.451 2.395 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290085879 376637120 /nfs/dbraw/zinc/63/71/20/376637120.db2.gz VLVBTHOASIQGRP-SJLPKXTDSA-N 2 1 290.451 2.395 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1C1CCCC1)C1CC1 ZINC000311469254 376671288 /nfs/dbraw/zinc/67/12/88/376671288.db2.gz XWQORIJQNXLUBG-HOTGVXAUSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1C1CCCC1)C1CC1 ZINC000311469254 376671300 /nfs/dbraw/zinc/67/13/00/376671300.db2.gz XWQORIJQNXLUBG-HOTGVXAUSA-N 2 1 266.429 2.096 20 0 CEADMP COc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000290320835 376730782 /nfs/dbraw/zinc/73/07/82/376730782.db2.gz CYOXPQBRPFFGEP-HIFRSBDPSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)n1 ZINC000290320835 376730785 /nfs/dbraw/zinc/73/07/85/376730785.db2.gz CYOXPQBRPFFGEP-HIFRSBDPSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000290320835 376730790 /nfs/dbraw/zinc/73/07/90/376730790.db2.gz CYOXPQBRPFFGEP-HIFRSBDPSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000290320835 376730792 /nfs/dbraw/zinc/73/07/92/376730792.db2.gz CYOXPQBRPFFGEP-HIFRSBDPSA-N 2 1 275.396 2.006 20 0 CEADMP C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)CC1CCOCC1 ZINC000312096135 376702870 /nfs/dbraw/zinc/70/28/70/376702870.db2.gz FGUVZDBCDGLHOG-HOTGVXAUSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2C[C@@H](O)C2)C1 ZINC000420915928 376735367 /nfs/dbraw/zinc/73/53/67/376735367.db2.gz NEKYLJONKVEPPF-VVLHAWIVSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H](O)C2)C1 ZINC000420915928 376735373 /nfs/dbraw/zinc/73/53/73/376735373.db2.gz NEKYLJONKVEPPF-VVLHAWIVSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H](O)C2)C1 ZINC000420915928 376735382 /nfs/dbraw/zinc/73/53/82/376735382.db2.gz NEKYLJONKVEPPF-VVLHAWIVSA-N 2 1 280.456 2.344 20 0 CEADMP Cc1cc(C)c(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c(C)c1 ZINC000313401929 376743937 /nfs/dbraw/zinc/74/39/37/376743937.db2.gz UIHRPAURHQEQOQ-HNNXBMFYSA-N 2 1 262.397 2.161 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1-n1cncn1 ZINC000684966759 542099809 /nfs/dbraw/zinc/09/98/09/542099809.db2.gz OJFLNJAKVVRYFS-UHFFFAOYSA-N 2 1 299.422 2.185 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1-n1cncn1 ZINC000684966759 542099811 /nfs/dbraw/zinc/09/98/11/542099811.db2.gz OJFLNJAKVVRYFS-UHFFFAOYSA-N 2 1 299.422 2.185 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(OC)c1 ZINC000315066439 376792495 /nfs/dbraw/zinc/79/24/95/376792495.db2.gz DXNQUAZUOGFQHZ-OKILXGFUSA-N 2 1 290.407 2.135 20 0 CEADMP COC1(C[NH2+]CCn2cc[nH+]c2C)CCCCC1 ZINC000319856841 376819703 /nfs/dbraw/zinc/81/97/03/376819703.db2.gz LPARBUNFSAFAPV-UHFFFAOYSA-N 2 1 251.374 2.130 20 0 CEADMP c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320842774 376826755 /nfs/dbraw/zinc/82/67/55/376826755.db2.gz GYKJQPNSOYEPOX-CALCHBBNSA-N 2 1 296.418 2.304 20 0 CEADMP CC[C@H]([NH2+]CCNc1ccc2ccccc2n1)[C@@H]1CCC[NH2+]1 ZINC000422922504 376863748 /nfs/dbraw/zinc/86/37/48/376863748.db2.gz SYCBOTOPLLDWEP-RDJZCZTQSA-N 2 1 298.434 2.189 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1O ZINC000422978647 376902928 /nfs/dbraw/zinc/90/29/28/376902928.db2.gz ZXRJVAPSWINWMH-QWHCGFSZSA-N 2 1 264.369 2.150 20 0 CEADMP CC[C@H]([NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000422950923 376874662 /nfs/dbraw/zinc/87/46/62/376874662.db2.gz XBSGRSZSIBDARC-IHRRRGAJSA-N 2 1 276.380 2.378 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000422949474 376874709 /nfs/dbraw/zinc/87/47/09/376874709.db2.gz VEPYPOFBSJKKDL-QWHCGFSZSA-N 2 1 299.212 2.297 20 0 CEADMP CC[C@H](CN[C@@H](C)c1ccc(C[NH3+])nc1C)[NH+]1CCCC1 ZINC000422963794 376891104 /nfs/dbraw/zinc/89/11/04/376891104.db2.gz JNTSODYNTGWXPO-XJKSGUPXSA-N 2 1 290.455 2.374 20 0 CEADMP CC[C@@H](CN[C@H](C)c1ccc(C[NH3+])nc1C)[NH+]1CCCC1 ZINC000422963792 376892996 /nfs/dbraw/zinc/89/29/96/376892996.db2.gz JNTSODYNTGWXPO-CJNGLKHVSA-N 2 1 290.455 2.374 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000562441958 376894206 /nfs/dbraw/zinc/89/42/06/376894206.db2.gz JCQKOFLHUKTMKJ-ULQDDVLXSA-N 2 1 290.451 2.485 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000562441958 376894217 /nfs/dbraw/zinc/89/42/17/376894217.db2.gz JCQKOFLHUKTMKJ-ULQDDVLXSA-N 2 1 290.451 2.485 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422995994 376911893 /nfs/dbraw/zinc/91/18/93/376911893.db2.gz KUAVTTQQDWPOMZ-IKGGRYGDSA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422998164 376914670 /nfs/dbraw/zinc/91/46/70/376914670.db2.gz CKZDRVOTZOKRRM-HZSPNIEDSA-N 2 1 256.434 2.150 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423003727 376921956 /nfs/dbraw/zinc/92/19/56/376921956.db2.gz NEMBRXKSAYEOML-UKRRQHHQSA-N 2 1 278.444 2.295 20 0 CEADMP C[C@@H](CCO)C1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCC1 ZINC000423019947 376936060 /nfs/dbraw/zinc/93/60/60/376936060.db2.gz XYPQWSPYNXEQRC-STQMWFEESA-N 2 1 277.412 2.334 20 0 CEADMP C[C@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423057164 376952990 /nfs/dbraw/zinc/95/29/90/376952990.db2.gz ZIZXWVWTAALEEJ-MXSMSXNCSA-N 2 1 287.451 2.237 20 0 CEADMP C1[C@@H]([NH2+][C@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C12CCCC2 ZINC000423073267 376966432 /nfs/dbraw/zinc/96/64/32/376966432.db2.gz IIPOYMZTDWHAKA-ZQDZILKHSA-N 2 1 264.413 2.066 20 0 CEADMP C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1c[nH+]ccc1N ZINC000423079635 376971100 /nfs/dbraw/zinc/97/11/00/376971100.db2.gz YNNJOAMHAOALGX-MRVPVSSYSA-N 2 1 295.280 2.062 20 0 CEADMP COC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(Cl)c1 ZINC000423122728 377020352 /nfs/dbraw/zinc/02/03/52/377020352.db2.gz LEAWAUWKRIKRGJ-HZMBPMFUSA-N 2 1 268.788 2.225 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH2+]CC[C@H]1C ZINC000423132164 377030855 /nfs/dbraw/zinc/03/08/55/377030855.db2.gz BRSYJQMDISQING-KFWWJZLASA-N 2 1 255.450 2.085 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423132170 377033470 /nfs/dbraw/zinc/03/34/70/377033470.db2.gz BRSYJQMDISQING-RRFJBIMHSA-N 2 1 255.450 2.085 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000423138711 377036929 /nfs/dbraw/zinc/03/69/29/377036929.db2.gz JWRDOAFJDLJNLX-IJEWVQPXSA-N 2 1 291.414 2.240 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000562744349 376991991 /nfs/dbraw/zinc/99/19/91/376991991.db2.gz ZQTYJXNECSSYRA-QWRGUYRKSA-N 2 1 254.324 2.443 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000423101430 376996565 /nfs/dbraw/zinc/99/65/65/376996565.db2.gz IVDFXTJPWGQOTO-LBPRGKRZSA-N 2 1 260.385 2.213 20 0 CEADMP C[C@H]([NH2+]C[C@@](C)(CO)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423109574 377002652 /nfs/dbraw/zinc/00/26/52/377002652.db2.gz NTJXNNZWEWMULO-XIRDDKMYSA-N 2 1 276.424 2.057 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423108986 377003181 /nfs/dbraw/zinc/00/31/81/377003181.db2.gz MZFPTTNRELKSHX-ZNMIVQPWSA-N 2 1 253.434 2.110 20 0 CEADMP CC[C@H]([NH2+]C[C@](C)(CO)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423113649 377008360 /nfs/dbraw/zinc/00/83/60/377008360.db2.gz USDIXZUBIOHMRL-OKZBNKHCSA-N 2 1 290.451 2.447 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000423204890 377123043 /nfs/dbraw/zinc/12/30/43/377123043.db2.gz UZMQAPXUTJGSCB-LBPRGKRZSA-N 2 1 250.390 2.258 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)nc1 ZINC000423167987 377074386 /nfs/dbraw/zinc/07/43/86/377074386.db2.gz SZVLPQKBVMGXKT-LBPRGKRZSA-N 2 1 256.353 2.091 20 0 CEADMP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423175564 377084732 /nfs/dbraw/zinc/08/47/32/377084732.db2.gz DZWAGJZBIJCKON-QCPWZWHMSA-N 2 1 274.408 2.386 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000423176961 377087701 /nfs/dbraw/zinc/08/77/01/377087701.db2.gz GUWULECEULXSGK-BPUTZDHNSA-N 2 1 280.387 2.022 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000423207327 377124751 /nfs/dbraw/zinc/12/47/51/377124751.db2.gz GSBGVEWNKCXVMS-WDEREUQCSA-N 2 1 282.409 2.185 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423183029 377094028 /nfs/dbraw/zinc/09/40/28/377094028.db2.gz MIASIAXUVPNAGN-XPKDYRNWSA-N 2 1 277.387 2.135 20 0 CEADMP CC[NH+](CC)CCC[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000264753456 190132781 /nfs/dbraw/zinc/13/27/81/190132781.db2.gz XFVUXNJWHZTOSW-KRWDZBQOSA-N 2 1 278.440 2.254 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000264753456 190132782 /nfs/dbraw/zinc/13/27/82/190132782.db2.gz XFVUXNJWHZTOSW-KRWDZBQOSA-N 2 1 278.440 2.254 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000563129470 377102948 /nfs/dbraw/zinc/10/29/48/377102948.db2.gz BXWSDQFPXSSDMB-MRXNPFEDSA-N 2 1 278.396 2.025 20 0 CEADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000423193422 377107048 /nfs/dbraw/zinc/10/70/48/377107048.db2.gz QQZUMSGYXUPRDE-SOUVJXGZSA-N 2 1 282.428 2.230 20 0 CEADMP [NH3+]CC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000423193783 377107646 /nfs/dbraw/zinc/10/76/46/377107646.db2.gz WZNHZOIJWQCPOM-LBPRGKRZSA-N 2 1 269.186 2.449 20 0 CEADMP C[C@H]([NH3+])CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423224085 377139122 /nfs/dbraw/zinc/13/91/22/377139122.db2.gz IEWBXQJTKQGEEY-VYDXJSESSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423224085 377139128 /nfs/dbraw/zinc/13/91/28/377139128.db2.gz IEWBXQJTKQGEEY-VYDXJSESSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423224085 377139135 /nfs/dbraw/zinc/13/91/35/377139135.db2.gz IEWBXQJTKQGEEY-VYDXJSESSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000423224085 377139141 /nfs/dbraw/zinc/13/91/41/377139141.db2.gz IEWBXQJTKQGEEY-VYDXJSESSA-N 2 1 275.440 2.224 20 0 CEADMP COc1cc(F)c([C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1OC ZINC000423228496 377146367 /nfs/dbraw/zinc/14/63/67/377146367.db2.gz ZVYDELRZESVBKT-VHSXEESVSA-N 2 1 270.348 2.231 20 0 CEADMP C[NH2+]CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423236836 377154640 /nfs/dbraw/zinc/15/46/40/377154640.db2.gz CWJVXDQSFXVQND-NSHDSACASA-N 2 1 283.213 2.115 20 0 CEADMP CC[NH2+]CC[NH2+][C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000423244631 377164095 /nfs/dbraw/zinc/16/40/95/377164095.db2.gz LKTPTWBLFRDOAA-UONOGXRCSA-N 2 1 254.418 2.313 20 0 CEADMP C[NH2+]CC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000423250583 377171245 /nfs/dbraw/zinc/17/12/45/377171245.db2.gz UPFWUSVZTJAHDM-CQSZACIVSA-N 2 1 252.789 2.470 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000423258290 377177118 /nfs/dbraw/zinc/17/71/18/377177118.db2.gz BFLNZMPBBADHAZ-SOUVJXGZSA-N 2 1 278.444 2.409 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000563348764 377177922 /nfs/dbraw/zinc/17/79/22/377177922.db2.gz AWZKLTVVKJQQBK-RRFJBIMHSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000563348764 377177923 /nfs/dbraw/zinc/17/79/23/377177923.db2.gz AWZKLTVVKJQQBK-RRFJBIMHSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000563348764 377177925 /nfs/dbraw/zinc/17/79/25/377177925.db2.gz AWZKLTVVKJQQBK-RRFJBIMHSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000563348764 377177927 /nfs/dbraw/zinc/17/79/27/377177927.db2.gz AWZKLTVVKJQQBK-RRFJBIMHSA-N 2 1 256.434 2.200 20 0 CEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)C1CCOCC1 ZINC000423261963 377182239 /nfs/dbraw/zinc/18/22/39/377182239.db2.gz LEABVIJPTJXPSG-SWLSCSKDSA-N 2 1 254.418 2.299 20 0 CEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(-n2cccn2)cc1 ZINC000423267634 377186572 /nfs/dbraw/zinc/18/65/72/377186572.db2.gz CZLAIWCKWPGVIV-LRDDRELGSA-N 2 1 270.380 2.260 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000423269158 377187334 /nfs/dbraw/zinc/18/73/34/377187334.db2.gz GUOCFKPKHHFQIY-RHSMWYFYSA-N 2 1 284.407 2.206 20 0 CEADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(-n2cccn2)cc1 ZINC000423267633 377187744 /nfs/dbraw/zinc/18/77/44/377187744.db2.gz CZLAIWCKWPGVIV-BLLLJJGKSA-N 2 1 270.380 2.260 20 0 CEADMP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(C(=O)OC)cc1 ZINC000423282792 377210329 /nfs/dbraw/zinc/21/03/29/377210329.db2.gz WHVRRRGXTLMGEJ-LSDHHAIUSA-N 2 1 278.396 2.497 20 0 CEADMP C[C@@H](CCCC[NH3+])NCC[NH2+]C1CCCCCC1 ZINC000423284919 377211877 /nfs/dbraw/zinc/21/18/77/377211877.db2.gz XNNQDHOFJFNPRG-AWEZNQCLSA-N 2 1 255.450 2.406 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]CCNC1CCCCCC1 ZINC000423284919 377211887 /nfs/dbraw/zinc/21/18/87/377211887.db2.gz XNNQDHOFJFNPRG-AWEZNQCLSA-N 2 1 255.450 2.406 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC[NH2+]C1CCCCCC1 ZINC000423283776 377212910 /nfs/dbraw/zinc/21/29/10/377212910.db2.gz WFRGXOOFNAYOOR-GOEBONIOSA-N 2 1 267.461 2.229 20 0 CEADMP CC[N@H+]1C[C@H](NCc2ccc([C@H](C)[NH3+])cc2)[C@@H](C)C1 ZINC000423291564 377222080 /nfs/dbraw/zinc/22/20/80/377222080.db2.gz IVWASIITAMFBPY-XEZPLFJOSA-N 2 1 261.413 2.136 20 0 CEADMP CC[N@@H+]1C[C@H](NCc2ccc([C@H](C)[NH3+])cc2)[C@@H](C)C1 ZINC000423291564 377222092 /nfs/dbraw/zinc/22/20/92/377222092.db2.gz IVWASIITAMFBPY-XEZPLFJOSA-N 2 1 261.413 2.136 20 0 CEADMP CC[N@H+]1C[C@H](NCc2ccc([C@@H](C)[NH3+])cc2)[C@@H](C)C1 ZINC000423291565 377222788 /nfs/dbraw/zinc/22/27/88/377222788.db2.gz IVWASIITAMFBPY-ZENOOKHLSA-N 2 1 261.413 2.136 20 0 CEADMP CC[N@@H+]1C[C@H](NCc2ccc([C@@H](C)[NH3+])cc2)[C@@H](C)C1 ZINC000423291565 377222799 /nfs/dbraw/zinc/22/27/99/377222799.db2.gz IVWASIITAMFBPY-ZENOOKHLSA-N 2 1 261.413 2.136 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000423293616 377223206 /nfs/dbraw/zinc/22/32/06/377223206.db2.gz AHOLZRMYUATYHL-MXWKQRLJSA-N 2 1 268.323 2.203 20 0 CEADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(-n2ccnc2)cc1 ZINC000423315194 377245978 /nfs/dbraw/zinc/24/59/78/377245978.db2.gz IRFGJSODBBYBAN-LRDDRELGSA-N 2 1 270.380 2.260 20 0 CEADMP CC(C)[C@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@@H](C)[NH3+] ZINC000423318121 377247525 /nfs/dbraw/zinc/24/75/25/377247525.db2.gz CCCFJOGOMHCZBR-XHSDSOJGSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@H](NCC1([NH3+])CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423318243 377248180 /nfs/dbraw/zinc/24/81/80/377248180.db2.gz DGASVBLHAWHBGX-RDJZCZTQSA-N 2 1 287.451 2.368 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000423317508 377248196 /nfs/dbraw/zinc/24/81/96/377248196.db2.gz BPUZHFNRQVZXHO-OAGGEKHMSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[NH2+]CCN[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423318895 377250903 /nfs/dbraw/zinc/25/09/03/377250903.db2.gz ZOCAMHWDLFBKBT-DOTOQJQBSA-N 2 1 275.440 2.239 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]([NH3+])C1CC1 ZINC000423327328 377260264 /nfs/dbraw/zinc/26/02/64/377260264.db2.gz RHVRUUBGKYHJQZ-FHLIZLRMSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@@H]1C[C@@H](NCC2([NH3+])CCC2)C[N@H+]1Cc1ccccc1 ZINC000423328568 377262368 /nfs/dbraw/zinc/26/23/68/377262368.db2.gz NURGPNCDLFIQHG-GDBMZVCRSA-N 2 1 273.424 2.120 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCC2)CN1Cc1ccccc1 ZINC000423328568 377262383 /nfs/dbraw/zinc/26/23/83/377262383.db2.gz NURGPNCDLFIQHG-GDBMZVCRSA-N 2 1 273.424 2.120 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1OC ZINC000423277219 377202595 /nfs/dbraw/zinc/20/25/95/377202595.db2.gz NXWRCJZBDMKLQU-SMDDNHRTSA-N 2 1 278.396 2.400 20 0 CEADMP Cc1ccc([C@@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000563841332 377303519 /nfs/dbraw/zinc/30/35/19/377303519.db2.gz LPPQWUHNKVQUJK-SJLPKXTDSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccc([C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000563841332 377303528 /nfs/dbraw/zinc/30/35/28/377303528.db2.gz LPPQWUHNKVQUJK-SJLPKXTDSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000563841332 377303538 /nfs/dbraw/zinc/30/35/38/377303538.db2.gz LPPQWUHNKVQUJK-SJLPKXTDSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccc([C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000563841332 377303546 /nfs/dbraw/zinc/30/35/46/377303546.db2.gz LPPQWUHNKVQUJK-SJLPKXTDSA-N 2 1 288.435 2.239 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000564974815 377518898 /nfs/dbraw/zinc/51/88/98/377518898.db2.gz VUGVSXGTZAAOMT-UONOGXRCSA-N 2 1 282.391 2.313 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000685658053 542176320 /nfs/dbraw/zinc/17/63/20/542176320.db2.gz DEFNNQCENRTKEE-CABCVRRESA-N 3 1 269.477 2.427 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000685658053 542176323 /nfs/dbraw/zinc/17/63/23/542176323.db2.gz DEFNNQCENRTKEE-CABCVRRESA-N 3 1 269.477 2.427 20 0 CEADMP c1ccc2c(c1)CCN(CC[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000166062746 542189154 /nfs/dbraw/zinc/18/91/54/542189154.db2.gz DFGFCGFKLAMDNY-RBUKOAKNSA-N 2 1 299.462 2.261 20 0 CEADMP c1ccc2c(c1)CC[N@@H+](CCN[C@H]1CC[NH+]3CCC[C@@H]3C1)C2 ZINC000166062746 542189156 /nfs/dbraw/zinc/18/91/56/542189156.db2.gz DFGFCGFKLAMDNY-RBUKOAKNSA-N 2 1 299.462 2.261 20 0 CEADMP c1ccc2c(c1)CC[N@H+](CCN[C@H]1CC[NH+]3CCC[C@@H]3C1)C2 ZINC000166062746 542189157 /nfs/dbraw/zinc/18/91/57/542189157.db2.gz DFGFCGFKLAMDNY-RBUKOAKNSA-N 2 1 299.462 2.261 20 0 CEADMP c1ccc2c(c1)CC[NH+](CCN[C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000166062746 542189159 /nfs/dbraw/zinc/18/91/59/542189159.db2.gz DFGFCGFKLAMDNY-RBUKOAKNSA-N 2 1 299.462 2.261 20 0 CEADMP c1ccc2c(c1)CC[NH+](CCN[C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000166062746 542189160 /nfs/dbraw/zinc/18/91/60/542189160.db2.gz DFGFCGFKLAMDNY-RBUKOAKNSA-N 2 1 299.462 2.261 20 0 CEADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000332379755 377584580 /nfs/dbraw/zinc/58/45/80/377584580.db2.gz YOIBFFBYNZLSPR-FMKPAKJESA-N 2 1 291.443 2.200 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000685889745 542196830 /nfs/dbraw/zinc/19/68/30/542196830.db2.gz ZJUPTICRUXKCIY-XQLPTFJDSA-N 2 1 283.460 2.093 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000685889745 542196835 /nfs/dbraw/zinc/19/68/35/542196835.db2.gz ZJUPTICRUXKCIY-XQLPTFJDSA-N 2 1 283.460 2.093 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000685889745 542196838 /nfs/dbraw/zinc/19/68/38/542196838.db2.gz ZJUPTICRUXKCIY-XQLPTFJDSA-N 2 1 283.460 2.093 20 0 CEADMP CCC[N@@H+](Cc1cccc(C(=O)NC)c1)C1CC[NH2+]CC1 ZINC000431100627 377601008 /nfs/dbraw/zinc/60/10/08/377601008.db2.gz NCRSGOKXAYNLGL-UHFFFAOYSA-N 2 1 289.423 2.010 20 0 CEADMP COc1cc(F)cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000312381886 249372449 /nfs/dbraw/zinc/37/24/49/249372449.db2.gz PVVPYIFHARUCAY-UHFFFAOYSA-N 2 1 264.344 2.186 20 0 CEADMP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431797393 377671105 /nfs/dbraw/zinc/67/11/05/377671105.db2.gz NSCSFBYWEBHMGS-HNNXBMFYSA-N 2 1 295.471 2.288 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000566036744 377711801 /nfs/dbraw/zinc/71/18/01/377711801.db2.gz VQUBVGQZVHSDLO-KBPBESRZSA-N 2 1 254.418 2.121 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1(C)C ZINC000432410942 377757030 /nfs/dbraw/zinc/75/70/30/377757030.db2.gz TUWPNFFAEDRZEZ-OWCLPIDISA-N 2 1 298.471 2.281 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1(C)C ZINC000432410942 377757036 /nfs/dbraw/zinc/75/70/36/377757036.db2.gz TUWPNFFAEDRZEZ-OWCLPIDISA-N 2 1 298.471 2.281 20 0 CEADMP COC1(C[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CCC1 ZINC000432411626 377757311 /nfs/dbraw/zinc/75/73/11/377757311.db2.gz ZTICMBACKCHRQZ-CVEARBPZSA-N 2 1 298.471 2.425 20 0 CEADMP COC1(C[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CCC1 ZINC000432411626 377757313 /nfs/dbraw/zinc/75/73/13/377757313.db2.gz ZTICMBACKCHRQZ-CVEARBPZSA-N 2 1 298.471 2.425 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@]2(O)CCCC(C)(C)C2)CC1 ZINC000437084953 377836760 /nfs/dbraw/zinc/83/67/60/377836760.db2.gz DPZCKBJDPDGMCO-QGZVFWFLSA-N 2 1 298.471 2.018 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000567042915 377793732 /nfs/dbraw/zinc/79/37/32/377793732.db2.gz HZSJQEOFMNSEIZ-CWRNSKLLSA-N 2 1 277.412 2.148 20 0 CEADMP CC(C)[C@]1(CO)CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000567058861 377797185 /nfs/dbraw/zinc/79/71/85/377797185.db2.gz HGSFRIPSEKZSNT-MRXNPFEDSA-N 2 1 279.428 2.083 20 0 CEADMP CC(C)[C@]1(CO)CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000567058861 377797193 /nfs/dbraw/zinc/79/71/93/377797193.db2.gz HGSFRIPSEKZSNT-MRXNPFEDSA-N 2 1 279.428 2.083 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000438113322 377887901 /nfs/dbraw/zinc/88/79/01/377887901.db2.gz JYCSZGHVJRZEDP-GJZGRUSLSA-N 2 1 254.418 2.077 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438540878 377906846 /nfs/dbraw/zinc/90/68/46/377906846.db2.gz MBBOFTBISNEVDG-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438540878 377906851 /nfs/dbraw/zinc/90/68/51/377906851.db2.gz MBBOFTBISNEVDG-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438540878 377906853 /nfs/dbraw/zinc/90/68/53/377906853.db2.gz MBBOFTBISNEVDG-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]([NH3+])C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000442661498 377976685 /nfs/dbraw/zinc/97/66/85/377976685.db2.gz OBOVMJCIZQJZPG-LBPRGKRZSA-N 2 1 290.386 2.427 20 0 CEADMP C[C@H]([NH3+])C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000442661498 377976689 /nfs/dbraw/zinc/97/66/89/377976689.db2.gz OBOVMJCIZQJZPG-LBPRGKRZSA-N 2 1 290.386 2.427 20 0 CEADMP COc1cccc(C[N@H+](C[C@@H](C)[NH3+])C2CCC(O)CC2)c1 ZINC000442665078 377978164 /nfs/dbraw/zinc/97/81/64/377978164.db2.gz NVHKSLPNGRZZDZ-IUDNXUCKSA-N 2 1 292.423 2.148 20 0 CEADMP COc1cccc(C[N@@H+](C[C@@H](C)[NH3+])C2CCC(O)CC2)c1 ZINC000442665078 377978169 /nfs/dbraw/zinc/97/81/69/377978169.db2.gz NVHKSLPNGRZZDZ-IUDNXUCKSA-N 2 1 292.423 2.148 20 0 CEADMP Cc1ccccc1OCCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442762109 377991959 /nfs/dbraw/zinc/99/19/59/377991959.db2.gz ZZUZWMVWNGGBHU-CABCVRRESA-N 2 1 262.397 2.433 20 0 CEADMP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000442812937 378002202 /nfs/dbraw/zinc/00/22/02/378002202.db2.gz SCMFAVILFIBSEB-QPSCCSFWSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057617 378031248 /nfs/dbraw/zinc/03/12/48/378031248.db2.gz HJKWIYJXBZHZJR-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057615 378031290 /nfs/dbraw/zinc/03/12/90/378031290.db2.gz HJKWIYJXBZHZJR-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)CCc1noc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000443061926 378031712 /nfs/dbraw/zinc/03/17/12/378031712.db2.gz SNCGEHBKXXBJCL-CYBMUJFWSA-N 2 1 280.416 2.219 20 0 CEADMP CC(C)CCc1noc(C[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000443061926 378031718 /nfs/dbraw/zinc/03/17/18/378031718.db2.gz SNCGEHBKXXBJCL-CYBMUJFWSA-N 2 1 280.416 2.219 20 0 CEADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057803 378031910 /nfs/dbraw/zinc/03/19/10/378031910.db2.gz HZFJTBKWYGYRGP-WCVJEAGWSA-N 2 1 295.471 2.131 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000295233635 378063705 /nfs/dbraw/zinc/06/37/05/378063705.db2.gz SDGYZRIUEWZDPF-HUUCEWRRSA-N 2 1 291.439 2.011 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](CC[NH3+])C2)CCO1 ZINC000442931849 378020579 /nfs/dbraw/zinc/02/05/79/378020579.db2.gz WTTCYCGJKYOEAO-SOUVJXGZSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)[C@@H](C)[NH+](C)CC(O)C[N@H+](C)[C@H](C)C(C)C ZINC000447123059 378094100 /nfs/dbraw/zinc/09/41/00/378094100.db2.gz RTXKRXDAQOCMCQ-ZIAGYGMSSA-N 2 1 258.450 2.300 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)CCO1 ZINC000449779481 378230267 /nfs/dbraw/zinc/23/02/67/378230267.db2.gz XODSTMUPBFQCFG-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[C@H](NCC[NH+]2CCCC2(C)C)C[N@H+]1C1CC1 ZINC000449783580 378231807 /nfs/dbraw/zinc/23/18/07/378231807.db2.gz QCPITFCVRFVDSX-KBPBESRZSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]1C[C@H](NCC[N@@H+]2CCCC2(C)C)C[NH+]1C1CC1 ZINC000449783580 378231812 /nfs/dbraw/zinc/23/18/12/378231812.db2.gz QCPITFCVRFVDSX-KBPBESRZSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]1C[C@H](NCC[N@H+]2CCCC2(C)C)C[NH+]1C1CC1 ZINC000449783580 378231817 /nfs/dbraw/zinc/23/18/17/378231817.db2.gz QCPITFCVRFVDSX-KBPBESRZSA-N 2 1 265.445 2.076 20 0 CEADMP CC[C@H](C)[N@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000451032724 378682024 /nfs/dbraw/zinc/68/20/24/378682024.db2.gz ZJUNDDKMZLUYHU-STQMWFEESA-N 2 1 263.385 2.399 20 0 CEADMP C[C@H](CCC1CC1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000346587424 217952086 /nfs/dbraw/zinc/95/20/86/217952086.db2.gz ZRIULSWPGZYRRL-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000298447833 378729800 /nfs/dbraw/zinc/72/98/00/378729800.db2.gz NUISOFJEEXGLJZ-SJKOYZFVSA-N 2 1 292.398 2.464 20 0 CEADMP CC(C)[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]1C(C)C ZINC000453035428 378780622 /nfs/dbraw/zinc/78/06/22/378780622.db2.gz KBSNDPSXQKLOIK-OWCLPIDISA-N 2 1 268.445 2.054 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]1C(C)C ZINC000453035428 378780629 /nfs/dbraw/zinc/78/06/29/378780629.db2.gz KBSNDPSXQKLOIK-OWCLPIDISA-N 2 1 268.445 2.054 20 0 CEADMP CC(C)[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@@H]1C(C)C ZINC000453035428 378780635 /nfs/dbraw/zinc/78/06/35/378780635.db2.gz KBSNDPSXQKLOIK-OWCLPIDISA-N 2 1 268.445 2.054 20 0 CEADMP CC(C)[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@@H]1C(C)C ZINC000453035428 378780641 /nfs/dbraw/zinc/78/06/41/378780641.db2.gz KBSNDPSXQKLOIK-OWCLPIDISA-N 2 1 268.445 2.054 20 0 CEADMP COc1ccccc1C[C@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000346842103 218032458 /nfs/dbraw/zinc/03/24/58/218032458.db2.gz WNWNCAYXJZMUSF-CQSZACIVSA-N 2 1 262.397 2.439 20 0 CEADMP COc1ccccc1C[C@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000346842103 218032460 /nfs/dbraw/zinc/03/24/60/218032460.db2.gz WNWNCAYXJZMUSF-CQSZACIVSA-N 2 1 262.397 2.439 20 0 CEADMP CC[NH+]1CCC(CCNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000266221125 190240952 /nfs/dbraw/zinc/24/09/52/190240952.db2.gz HQUNRVOELHCRQI-UHFFFAOYSA-N 2 1 273.384 2.492 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000346858592 218038984 /nfs/dbraw/zinc/03/89/84/218038984.db2.gz RKNYOMBUAWIPNS-CWRNSKLLSA-N 2 1 276.428 2.079 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(CC)COC2)[C@H](C)C1 ZINC000453347219 378869664 /nfs/dbraw/zinc/86/96/64/378869664.db2.gz FFERAFAIHAIPMY-CVEARBPZSA-N 2 1 298.471 2.140 20 0 CEADMP COCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000453386733 378881204 /nfs/dbraw/zinc/88/12/04/378881204.db2.gz PCWBLJYVIUDHSA-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)O1 ZINC000453406615 378889596 /nfs/dbraw/zinc/88/95/96/378889596.db2.gz LGBOQKSQBBKLPD-UXXRCYHCSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnc(-c3ccncc3)s2)CC[C@H]1[NH3+] ZINC000346997989 218085442 /nfs/dbraw/zinc/08/54/42/218085442.db2.gz DYZWKGGWJHTRTL-BXUZGUMPSA-N 2 1 288.420 2.374 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccncc3)s2)CC[C@H]1[NH3+] ZINC000346997989 218085443 /nfs/dbraw/zinc/08/54/43/218085443.db2.gz DYZWKGGWJHTRTL-BXUZGUMPSA-N 2 1 288.420 2.374 20 0 CEADMP CCOCc1cc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)ccc1OC ZINC000347032601 218098060 /nfs/dbraw/zinc/09/80/60/218098060.db2.gz BOOCIYGTEZWAIY-OAHLLOKOSA-N 2 1 292.423 2.273 20 0 CEADMP CCOCc1cc(C[N@H+]2CC[C@H](C[NH2+]C)C2)ccc1OC ZINC000347032601 218098062 /nfs/dbraw/zinc/09/80/62/218098062.db2.gz BOOCIYGTEZWAIY-OAHLLOKOSA-N 2 1 292.423 2.273 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCOC2CCC2)CC1 ZINC000347049714 218104064 /nfs/dbraw/zinc/10/40/64/218104064.db2.gz ITHZNICAUMXYGN-UHFFFAOYSA-N 2 1 254.418 2.362 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)c1C ZINC000347117601 218127051 /nfs/dbraw/zinc/12/70/51/218127051.db2.gz WOZJQQURCJAOPX-OAHLLOKOSA-N 2 1 278.444 2.341 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CCC[C@H](C[NH2+]C)C2)c1C ZINC000347117601 218127052 /nfs/dbraw/zinc/12/70/52/218127052.db2.gz WOZJQQURCJAOPX-OAHLLOKOSA-N 2 1 278.444 2.341 20 0 CEADMP COc1ccc([C@@H](C)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000347064739 218110222 /nfs/dbraw/zinc/11/02/22/218110222.db2.gz DCMCHNAWPDAMNK-UONOGXRCSA-N 2 1 262.397 2.469 20 0 CEADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Oc2ccncc2)C1 ZINC000347121112 218130176 /nfs/dbraw/zinc/13/01/76/218130176.db2.gz KSZMTLQXJIMXIZ-RDJZCZTQSA-N 2 1 289.423 2.409 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Oc2ccncc2)C1 ZINC000347121112 218130178 /nfs/dbraw/zinc/13/01/78/218130178.db2.gz KSZMTLQXJIMXIZ-RDJZCZTQSA-N 2 1 289.423 2.409 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000347121112 218130179 /nfs/dbraw/zinc/13/01/79/218130179.db2.gz KSZMTLQXJIMXIZ-RDJZCZTQSA-N 2 1 289.423 2.409 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000347121112 218130181 /nfs/dbraw/zinc/13/01/81/218130181.db2.gz KSZMTLQXJIMXIZ-RDJZCZTQSA-N 2 1 289.423 2.409 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000347233519 218163838 /nfs/dbraw/zinc/16/38/38/218163838.db2.gz YWXGFJYTPJJKOT-GXTWGEPZSA-N 2 1 285.395 2.031 20 0 CEADMP CCC[N@@H+](Cc1ccc(C(=O)NC)cc1)C1CC[NH2+]CC1 ZINC000347195956 218152112 /nfs/dbraw/zinc/15/21/12/218152112.db2.gz HNIXDCUPFLXKEX-UHFFFAOYSA-N 2 1 289.423 2.010 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000180165596 542261992 /nfs/dbraw/zinc/26/19/92/542261992.db2.gz SGMQPGWRUDEEQA-NEPJUHHUSA-N 2 1 250.390 2.101 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000514930796 379165489 /nfs/dbraw/zinc/16/54/89/379165489.db2.gz SELHVZGQUFHNAN-RBSFLKMASA-N 2 1 281.831 2.412 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cs1 ZINC000300410308 379166318 /nfs/dbraw/zinc/16/63/18/379166318.db2.gz GPFGSFRNEFIFMM-UHIISALHSA-N 2 1 267.442 2.312 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cc2n(n1)CCC2 ZINC000515352328 379209461 /nfs/dbraw/zinc/20/94/61/379209461.db2.gz XITRGJXLKNKLOG-LBPRGKRZSA-N 2 1 270.380 2.139 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCSC1)c1c[nH+]ccc1N ZINC000516562074 379293059 /nfs/dbraw/zinc/29/30/59/379293059.db2.gz KYJGSRSSFBNEBP-QWRGUYRKSA-N 2 1 251.399 2.288 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC(C)(C)CCC[NH+](C)C ZINC000456159324 379326738 /nfs/dbraw/zinc/32/67/38/379326738.db2.gz AKEMSGKTRHIUJK-OKILXGFUSA-N 2 1 283.460 2.096 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@@H]21 ZINC000302381108 379365227 /nfs/dbraw/zinc/36/52/27/379365227.db2.gz IIBNDYCLASYPJX-QNWHQSFQSA-N 2 1 258.356 2.481 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000519801741 379455190 /nfs/dbraw/zinc/45/51/90/379455190.db2.gz AXOQDMPMVIQKAP-BARDWOONSA-N 2 1 254.418 2.262 20 0 CEADMP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000456536903 379479639 /nfs/dbraw/zinc/47/96/39/379479639.db2.gz VUKUMQNRPWLNBD-CAOSSQGBSA-N 2 1 295.471 2.190 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000266823812 190282458 /nfs/dbraw/zinc/28/24/58/190282458.db2.gz CRHWRTLOBOAHLW-CQSZACIVSA-N 2 1 262.397 2.184 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000521834694 379542891 /nfs/dbraw/zinc/54/28/91/379542891.db2.gz LGJIZWZQMHQHEY-UONOGXRCSA-N 2 1 254.418 2.252 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000305123864 379648184 /nfs/dbraw/zinc/64/81/84/379648184.db2.gz KPDUBJBESKMWHW-JCYILVPMSA-N 2 1 276.424 2.225 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@H]1CC=CCC1 ZINC000305219419 379689482 /nfs/dbraw/zinc/68/94/82/379689482.db2.gz UPHKRMXDTCBYEL-JKSUJKDBSA-N 2 1 266.429 2.169 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000305182200 379675736 /nfs/dbraw/zinc/67/57/36/379675736.db2.gz WMTNCBKVEPGDKI-OIISXLGYSA-N 2 1 276.424 2.430 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000305182200 379675741 /nfs/dbraw/zinc/67/57/41/379675741.db2.gz WMTNCBKVEPGDKI-OIISXLGYSA-N 2 1 276.424 2.430 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000305614031 379721093 /nfs/dbraw/zinc/72/10/93/379721093.db2.gz BHHXFQXIICJMKM-CQSZACIVSA-N 2 1 265.401 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000305614031 379721095 /nfs/dbraw/zinc/72/10/95/379721095.db2.gz BHHXFQXIICJMKM-CQSZACIVSA-N 2 1 265.401 2.207 20 0 CEADMP CN1CC[NH+](Cc2ccc(C[NH2+]CC3(F)CC3)cc2)CC1 ZINC000527280109 379740598 /nfs/dbraw/zinc/74/05/98/379740598.db2.gz UDMWKIHFLRRUSM-UHFFFAOYSA-N 2 1 291.414 2.026 20 0 CEADMP OCC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000305365432 379712192 /nfs/dbraw/zinc/71/21/92/379712192.db2.gz VKXKLENXWLBAQM-FGTMMUONSA-N 2 1 288.435 2.369 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCOC2)[C@@H]2CCC[C@@H]21 ZINC000527925238 379847516 /nfs/dbraw/zinc/84/75/16/379847516.db2.gz LVRQQGJQRZCPNN-VGWMRTNUSA-N 2 1 266.429 2.266 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC4COC4)[C@H]3C2)cc1 ZINC000528028259 379881873 /nfs/dbraw/zinc/88/18/73/379881873.db2.gz VIXDUBYCYFYUQP-BZSNNMDCSA-N 2 1 286.419 2.133 20 0 CEADMP CCc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000347822837 218368665 /nfs/dbraw/zinc/36/86/65/218368665.db2.gz UQQXJJJMDQEOPL-UHFFFAOYSA-N 2 1 261.413 2.418 20 0 CEADMP COc1ncccc1CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000488472025 380101085 /nfs/dbraw/zinc/10/10/85/380101085.db2.gz WWJAOXIOHJEWRO-OAHLLOKOSA-N 2 1 289.423 2.254 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000268152906 190381249 /nfs/dbraw/zinc/38/12/49/190381249.db2.gz FRMADFCCHFZPLE-UHFFFAOYSA-N 2 1 299.422 2.367 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CCO1 ZINC000488977224 380150232 /nfs/dbraw/zinc/15/02/32/380150232.db2.gz INZDKFFOVMZOJQ-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP Cc1cc[nH+]c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000268311019 190394410 /nfs/dbraw/zinc/39/44/10/190394410.db2.gz JZDNKFYDINKSNX-AWEZNQCLSA-N 2 1 275.396 2.303 20 0 CEADMP Cc1ccc2c(C)cc(N3CC[N@@H+](CCO)[C@H](C)C3)nc2c1 ZINC000490081093 380234982 /nfs/dbraw/zinc/23/49/82/380234982.db2.gz RSBPULMVQGYURL-OAHLLOKOSA-N 2 1 299.418 2.354 20 0 CEADMP Cc1ccc2c(C)cc(N3CCN(CCO)[C@H](C)C3)nc2c1 ZINC000490081093 380234987 /nfs/dbraw/zinc/23/49/87/380234987.db2.gz RSBPULMVQGYURL-OAHLLOKOSA-N 2 1 299.418 2.354 20 0 CEADMP C([C@@H]1CCC[N@@H+]([C@H]2CCOC2)C1)[NH+]1CCCCCC1 ZINC000334353092 380289394 /nfs/dbraw/zinc/28/93/94/380289394.db2.gz XVRONAWYNCAXHL-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C([C@@H]1CCC[N@H+]([C@H]2CCOC2)C1)[NH+]1CCCCCC1 ZINC000334353092 380289398 /nfs/dbraw/zinc/28/93/98/380289398.db2.gz XVRONAWYNCAXHL-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C[NH+]1CCC(C)CC1 ZINC000548125670 380487158 /nfs/dbraw/zinc/48/71/58/380487158.db2.gz PHIJQKCFDDLOKS-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1ncsc1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000334482360 380474516 /nfs/dbraw/zinc/47/45/16/380474516.db2.gz WQEAWOYBZHUFED-CMPLNLGQSA-N 2 1 253.415 2.366 20 0 CEADMP C[C@H]1C[C@@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1C ZINC000548747352 380555040 /nfs/dbraw/zinc/55/50/40/380555040.db2.gz ZJBBDLOCBBVXIZ-SOUVJXGZSA-N 2 1 297.487 2.199 20 0 CEADMP C[C@@H](C[N@H+](C)C[C@H]1CCC[NH+](C)C1)NC(=O)OC(C)(C)C ZINC000492438751 380555403 /nfs/dbraw/zinc/55/54/03/380555403.db2.gz UIIYALDZQNPEDF-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)NC(=O)OC(C)(C)C ZINC000492438751 380555407 /nfs/dbraw/zinc/55/54/07/380555407.db2.gz UIIYALDZQNPEDF-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000492438751 380555412 /nfs/dbraw/zinc/55/54/12/380555412.db2.gz UIIYALDZQNPEDF-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP C[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000492438751 380555415 /nfs/dbraw/zinc/55/54/15/380555415.db2.gz UIIYALDZQNPEDF-KBPBESRZSA-N 2 1 299.459 2.173 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000552118467 380685870 /nfs/dbraw/zinc/68/58/70/380685870.db2.gz JEJGSNCTSZSHDS-UHFFFAOYSA-N 2 1 297.487 2.297 20 0 CEADMP CC[C@H]1C[N@H+](C)CCN1Cc1cc(-n2ccnc2)cs1 ZINC000552138005 380687322 /nfs/dbraw/zinc/68/73/22/380687322.db2.gz XWHKQBWVSOWPSV-ZDUSSCGKSA-N 2 1 290.436 2.460 20 0 CEADMP CC[C@H]1C[N@@H+](C)CCN1Cc1cc(-n2ccnc2)cs1 ZINC000552138005 380687326 /nfs/dbraw/zinc/68/73/26/380687326.db2.gz XWHKQBWVSOWPSV-ZDUSSCGKSA-N 2 1 290.436 2.460 20 0 CEADMP Fc1ccc(F)c2c1CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000334786579 207073310 /nfs/dbraw/zinc/07/33/10/207073310.db2.gz WBEAXYQMMHDZAO-NSHDSACASA-N 2 1 266.335 2.323 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)n21 ZINC000334818760 207129908 /nfs/dbraw/zinc/12/99/08/207129908.db2.gz DMRSOPUYKXQPEF-TZMCWYRMSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1cccc2ncc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)n21 ZINC000334818760 207129913 /nfs/dbraw/zinc/12/99/13/207129913.db2.gz DMRSOPUYKXQPEF-TZMCWYRMSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)n2c1 ZINC000334821494 207134940 /nfs/dbraw/zinc/13/49/40/207134940.db2.gz OYCXEKQOCUMPSV-KGLIPLIRSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1ccc2ncc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)n2c1 ZINC000334821494 207134944 /nfs/dbraw/zinc/13/49/44/207134944.db2.gz OYCXEKQOCUMPSV-KGLIPLIRSA-N 2 1 272.396 2.059 20 0 CEADMP C[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C1CC([NH3+])C1 ZINC000334868010 207216404 /nfs/dbraw/zinc/21/64/04/207216404.db2.gz HZKVBSGPENWCOF-UHFFFAOYSA-N 2 1 292.333 2.276 20 0 CEADMP C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C1CC([NH3+])C1 ZINC000334868010 207216410 /nfs/dbraw/zinc/21/64/10/207216410.db2.gz HZKVBSGPENWCOF-UHFFFAOYSA-N 2 1 292.333 2.276 20 0 CEADMP CC(C)CC[NH+](C)CC(O)C[N@H+](C)CCC(C)C ZINC000194424411 542360981 /nfs/dbraw/zinc/36/09/81/542360981.db2.gz NYOREYUUIRLCPU-UHFFFAOYSA-N 2 1 258.450 2.303 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000280962394 195047613 /nfs/dbraw/zinc/04/76/13/195047613.db2.gz UVULDEXDCSBOEF-UHFFFAOYSA-N 2 1 285.391 2.349 20 0 CEADMP Clc1ccc2nc(C[NH2+][C@@H]3CCC[NH2+]CC3)cn2c1 ZINC000335251632 208032429 /nfs/dbraw/zinc/03/24/29/208032429.db2.gz NMLLEVALJXUUCA-GFCCVEGCSA-N 2 1 278.787 2.219 20 0 CEADMP Cc1csc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)n1 ZINC000335278689 208085101 /nfs/dbraw/zinc/08/51/01/208085101.db2.gz NFOVOMAHQPIANW-LBPRGKRZSA-N 2 1 265.426 2.416 20 0 CEADMP Cc1nocc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000335370724 208299196 /nfs/dbraw/zinc/29/91/96/208299196.db2.gz BDQDIYZYMCXRIH-CQSZACIVSA-N 2 1 263.385 2.147 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000289356632 197310040 /nfs/dbraw/zinc/31/00/40/197310040.db2.gz MFOWSPCDASYEQZ-NVXWUHKLSA-N 2 1 292.423 2.191 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000289356632 197310041 /nfs/dbraw/zinc/31/00/41/197310041.db2.gz MFOWSPCDASYEQZ-NVXWUHKLSA-N 2 1 292.423 2.191 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)CC[N@H+]1C ZINC000353831267 220355735 /nfs/dbraw/zinc/35/57/35/220355735.db2.gz VRJSINCGMGKMIV-AUJRIZCKSA-N 2 1 294.464 2.137 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@@H]1C ZINC000353909432 220402854 /nfs/dbraw/zinc/40/28/54/220402854.db2.gz AUEIAZAPSWNIOW-ILXRZTDVSA-N 2 1 284.444 2.284 20 0 CEADMP COC[C@@H]1CCCC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414756311 285260403 /nfs/dbraw/zinc/26/04/03/285260403.db2.gz JNDVCGPWPFVGTH-QLFBSQMISA-N 2 1 254.418 2.123 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)Cc1ccccc1 ZINC000281428736 195236812 /nfs/dbraw/zinc/23/68/12/195236812.db2.gz SEQUGAHEKXANIX-QGZVFWFLSA-N 2 1 276.424 2.008 20 0 CEADMP COC[C@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177500095 285339861 /nfs/dbraw/zinc/33/98/61/285339861.db2.gz DASJJVTWMOUJPF-HRCADAONSA-N 2 1 298.471 2.233 20 0 CEADMP CCc1nc(N2CC[C@@H](C[N@@H+](C)CC)C2)cc(C)[nH+]1 ZINC000283852678 195931415 /nfs/dbraw/zinc/93/14/15/195931415.db2.gz UGBJSGCJPHHNBE-ZDUSSCGKSA-N 2 1 262.401 2.125 20 0 CEADMP CCc1nc(N2CC[C@@H](C[N@H+](C)CC)C2)cc(C)[nH+]1 ZINC000283852678 195931417 /nfs/dbraw/zinc/93/14/17/195931417.db2.gz UGBJSGCJPHHNBE-ZDUSSCGKSA-N 2 1 262.401 2.125 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC([NH+](C)C)CC2)c1C ZINC000171234294 533411422 /nfs/dbraw/zinc/41/14/22/533411422.db2.gz LRELTMKYSNJNDM-UHFFFAOYSA-N 2 1 277.412 2.233 20 0 CEADMP c1[nH+]c(C2CC[NH+]([C@H]3CCOC3)CC2)n2c1CCCC2 ZINC000334925199 285573830 /nfs/dbraw/zinc/57/38/30/285573830.db2.gz NQFKXBCEUJXFPJ-HNNXBMFYSA-N 2 1 275.396 2.188 20 0 CEADMP C[C@@H](CNc1nccc(N(C)C)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000301725626 394464770 /nfs/dbraw/zinc/46/47/70/394464770.db2.gz MLPJBAGPACOAEH-OLZOCXBDSA-N 2 1 277.416 2.075 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cn[nH]c1 ZINC000306052060 394513622 /nfs/dbraw/zinc/51/36/22/394513622.db2.gz SSOIDBCEPYMZPW-CYBMUJFWSA-N 2 1 250.390 2.182 20 0 CEADMP CSC1(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)CCC1 ZINC000356192577 394558420 /nfs/dbraw/zinc/55/84/20/394558420.db2.gz VAFRTPGUVXPQOU-UHFFFAOYSA-N 2 1 299.528 2.135 20 0 CEADMP CC[C@@H]1C(=O)NCCN1Cc1cn(-c2ccncc2)nc1C ZINC000329499274 394567769 /nfs/dbraw/zinc/56/77/69/394567769.db2.gz FPROHQQGFAJZRO-OAHLLOKOSA-N 2 1 299.378 2.126 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000311185883 394536901 /nfs/dbraw/zinc/53/69/01/394536901.db2.gz BVXLXDUDQODCKH-KGLIPLIRSA-N 2 1 254.418 2.406 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000311185883 394536903 /nfs/dbraw/zinc/53/69/03/394536903.db2.gz BVXLXDUDQODCKH-KGLIPLIRSA-N 2 1 254.418 2.406 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2c[nH]c3nccnc23)C[C@H]1C ZINC000356144426 394547713 /nfs/dbraw/zinc/54/77/13/394547713.db2.gz ZGZAZURTIXEDKF-TZMCWYRMSA-N 2 1 287.411 2.214 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c3nccnc23)C[C@H]1C ZINC000356144426 394547715 /nfs/dbraw/zinc/54/77/15/394547715.db2.gz ZGZAZURTIXEDKF-TZMCWYRMSA-N 2 1 287.411 2.214 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c3nccnc23)C[C@H]1C ZINC000356144426 394547717 /nfs/dbraw/zinc/54/77/17/394547717.db2.gz ZGZAZURTIXEDKF-TZMCWYRMSA-N 2 1 287.411 2.214 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[C@H](C)[NH3+])c1 ZINC000248979744 394550164 /nfs/dbraw/zinc/55/01/64/394550164.db2.gz FKBXUNVJUJYNKY-KBPBESRZSA-N 2 1 291.439 2.126 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000049711282 394550723 /nfs/dbraw/zinc/55/07/23/394550723.db2.gz SZVJEFTZNMTDJZ-DGCLKSJQSA-N 2 1 264.369 2.015 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000049711282 394550725 /nfs/dbraw/zinc/55/07/25/394550725.db2.gz SZVJEFTZNMTDJZ-DGCLKSJQSA-N 2 1 264.369 2.015 20 0 CEADMP CSC1(C[NH2+]CCCn2cc[nH+]c2C)CCC1 ZINC000356179323 394554520 /nfs/dbraw/zinc/55/45/20/394554520.db2.gz VTPZIPPCSPLBCQ-UHFFFAOYSA-N 2 1 253.415 2.457 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2NC(C)=O)C1 ZINC000090962126 394656201 /nfs/dbraw/zinc/65/62/01/394656201.db2.gz KMZYYRNXKJFHHJ-CQSZACIVSA-N 2 1 275.396 2.076 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413936117 394661316 /nfs/dbraw/zinc/66/13/16/394661316.db2.gz FSJJFIXCXIIBCA-AAEUAGOBSA-N 2 1 293.386 2.024 20 0 CEADMP C[N@@H+](CCc1ccccn1)CC[C@H]1CCCC[NH+]1C ZINC000072948401 394601317 /nfs/dbraw/zinc/60/13/17/394601317.db2.gz UEDCFKDIYXGYOT-MRXNPFEDSA-N 2 1 261.413 2.430 20 0 CEADMP C[N@H+](CCc1ccccn1)CC[C@H]1CCCC[NH+]1C ZINC000072948401 394601321 /nfs/dbraw/zinc/60/13/21/394601321.db2.gz UEDCFKDIYXGYOT-MRXNPFEDSA-N 2 1 261.413 2.430 20 0 CEADMP C[NH+](CCc1ccccn1)CC[C@H]1CCCC[N@@H+]1C ZINC000072948401 394601325 /nfs/dbraw/zinc/60/13/25/394601325.db2.gz UEDCFKDIYXGYOT-MRXNPFEDSA-N 2 1 261.413 2.430 20 0 CEADMP C[NH+](CCc1ccccn1)CC[C@H]1CCCC[N@H+]1C ZINC000072948401 394601327 /nfs/dbraw/zinc/60/13/27/394601327.db2.gz UEDCFKDIYXGYOT-MRXNPFEDSA-N 2 1 261.413 2.430 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421872244 394623356 /nfs/dbraw/zinc/62/33/56/394623356.db2.gz GPFNOTAOQAVNCK-HRMROMONSA-N 3 1 267.461 2.178 20 0 CEADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421872244 394623357 /nfs/dbraw/zinc/62/33/57/394623357.db2.gz GPFNOTAOQAVNCK-HRMROMONSA-N 2 1 267.461 2.178 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000356896857 394645591 /nfs/dbraw/zinc/64/55/91/394645591.db2.gz ZEQBPDAISONACX-HZPDHXFCSA-N 2 1 297.487 2.440 20 0 CEADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCc2ccccc2C1 ZINC000094010777 394670000 /nfs/dbraw/zinc/67/00/00/394670000.db2.gz HFUNXFCOEMIDCW-QGZVFWFLSA-N 2 1 258.409 2.475 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NCC[N@@H+](C)C1CCCCC1 ZINC000422706284 394729340 /nfs/dbraw/zinc/72/93/40/394729340.db2.gz UCFAXUCFHZSWEZ-GDBMZVCRSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H](CN[C@H]1C[NH2+]CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000422713317 394734017 /nfs/dbraw/zinc/73/40/17/394734017.db2.gz JKBHADAXCDHMJZ-VKJFTORMSA-N 2 1 287.451 2.021 20 0 CEADMP C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[N@@H+](C)C1CC1 ZINC000422736789 394748854 /nfs/dbraw/zinc/74/88/54/394748854.db2.gz GSDXYZPKOJMAAL-KEYYUXOJSA-N 2 1 275.440 2.017 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000422717109 394737180 /nfs/dbraw/zinc/73/71/80/394737180.db2.gz VKUQJJQQJYKEPB-XOKHGSTOSA-N 2 1 293.430 2.406 20 0 CEADMP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000414241389 394737890 /nfs/dbraw/zinc/73/78/90/394737890.db2.gz OOUDNNGKHBPAGX-LRDDRELGSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000422722756 394740124 /nfs/dbraw/zinc/74/01/24/394740124.db2.gz YXILOANVRMJIMF-DYJHLDHHSA-N 2 1 299.462 2.306 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000422722756 394740125 /nfs/dbraw/zinc/74/01/25/394740125.db2.gz YXILOANVRMJIMF-DYJHLDHHSA-N 2 1 299.462 2.306 20 0 CEADMP CCOC(=O)C[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CCCC1 ZINC000414704079 394749120 /nfs/dbraw/zinc/74/91/20/394749120.db2.gz KFEKDNIRXYFHTD-KBPBESRZSA-N 2 1 282.428 2.182 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000422722713 394740309 /nfs/dbraw/zinc/74/03/09/394740309.db2.gz YOPMAEFCBALFAG-CHWSQXEVSA-N 2 1 254.761 2.188 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccnc1 ZINC000422727670 394743504 /nfs/dbraw/zinc/74/35/04/394743504.db2.gz CZKSSWIHZXQXKQ-CJNGLKHVSA-N 2 1 255.365 2.130 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000357037181 394688807 /nfs/dbraw/zinc/68/88/07/394688807.db2.gz XXDSNTIUTDTABH-UHFFFAOYSA-N 2 1 277.195 2.401 20 0 CEADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)[C@H]1CC1(C)C ZINC000414068979 394692725 /nfs/dbraw/zinc/69/27/25/394692725.db2.gz RDCJFOCJJLWYFS-KGLIPLIRSA-N 2 1 256.434 2.369 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000414075292 394695374 /nfs/dbraw/zinc/69/53/74/394695374.db2.gz OYPDNHTXORODQF-CWRNSKLLSA-N 2 1 289.423 2.238 20 0 CEADMP CC(C)c1cc(N[C@@H](C)C[N@H+](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000357586492 394701478 /nfs/dbraw/zinc/70/14/78/394701478.db2.gz YMVDBXGUIBUNQG-ZDUSSCGKSA-N 2 1 293.459 2.229 20 0 CEADMP CC(C)c1cc(N[C@@H](C)C[N@@H+](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000357586492 394701481 /nfs/dbraw/zinc/70/14/81/394701481.db2.gz YMVDBXGUIBUNQG-ZDUSSCGKSA-N 2 1 293.459 2.229 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc3c2OCCO3)C[C@H]1C[NH3+] ZINC000422563906 394712911 /nfs/dbraw/zinc/71/29/11/394712911.db2.gz UWMVPJNFQOWXAW-UMVBOHGHSA-N 2 1 290.407 2.263 20 0 CEADMP CCOCCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000358345370 394719324 /nfs/dbraw/zinc/71/93/24/394719324.db2.gz NMSKJBILSYJDRL-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP CCn1ccnc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414173605 394722112 /nfs/dbraw/zinc/72/21/12/394722112.db2.gz FYOFDZILIFNZOF-KBPBESRZSA-N 2 1 264.417 2.286 20 0 CEADMP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422641617 394723776 /nfs/dbraw/zinc/72/37/76/394723776.db2.gz YBRINNCXUWLIIW-VGWMRTNUSA-N 2 1 297.487 2.185 20 0 CEADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422641617 394723779 /nfs/dbraw/zinc/72/37/79/394723779.db2.gz YBRINNCXUWLIIW-VGWMRTNUSA-N 2 1 297.487 2.185 20 0 CEADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCC[C@H]3N)CC2)CC1 ZINC000335018343 394727342 /nfs/dbraw/zinc/72/73/42/394727342.db2.gz FSMJFCCABOERNY-BHUNQDJPSA-N 2 1 279.472 2.499 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000107619829 394727918 /nfs/dbraw/zinc/72/79/18/394727918.db2.gz CELQPJZELZHQHQ-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000422740970 394751807 /nfs/dbraw/zinc/75/18/07/394751807.db2.gz OMUFHXVRBDJVBG-RDJZCZTQSA-N 2 1 275.440 2.491 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(F)c2F)CC12CCOCC2 ZINC000335252181 394754076 /nfs/dbraw/zinc/75/40/76/394754076.db2.gz CYPXMBFXCMHYBA-CYBMUJFWSA-N 2 1 296.361 2.152 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(F)c2F)CC12CCOCC2 ZINC000335252181 394754079 /nfs/dbraw/zinc/75/40/79/394754079.db2.gz CYPXMBFXCMHYBA-CYBMUJFWSA-N 2 1 296.361 2.152 20 0 CEADMP C[C@H]([NH2+]CCn1cnc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422752785 394759447 /nfs/dbraw/zinc/75/94/47/394759447.db2.gz DCLVSPFVTSCNPO-UONOGXRCSA-N 2 1 272.396 2.157 20 0 CEADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1(C)C ZINC000422757495 394763223 /nfs/dbraw/zinc/76/32/23/394763223.db2.gz DCZSUUOPHZPTCX-CBBWQLFWSA-N 2 1 268.445 2.414 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000414847598 394767674 /nfs/dbraw/zinc/76/76/74/394767674.db2.gz WBCUJGVDACFCRR-ZOBUZTSGSA-N 3 1 281.488 2.475 20 0 CEADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414850026 394768724 /nfs/dbraw/zinc/76/87/24/394768724.db2.gz RXAHPYVCMONYAF-KGLIPLIRSA-N 2 1 275.396 2.054 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000414849721 394769235 /nfs/dbraw/zinc/76/92/35/394769235.db2.gz YIRHJJZEADZCAL-SNVBAGLBSA-N 2 1 253.415 2.356 20 0 CEADMP Cc1cccn2c(C[NH2+]CC3([NH3+])CCCCC3)cnc12 ZINC000414848430 394769413 /nfs/dbraw/zinc/76/94/13/394769413.db2.gz VYWZYPQRLPNWEY-UHFFFAOYSA-N 2 1 272.396 2.394 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422767874 394770303 /nfs/dbraw/zinc/77/03/03/394770303.db2.gz SMQQKJOIVVYOLQ-WXLSXGNJSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422767874 394770307 /nfs/dbraw/zinc/77/03/07/394770307.db2.gz SMQQKJOIVVYOLQ-WXLSXGNJSA-N 3 1 267.461 2.214 20 0 CEADMP COCCOc1ccc(C[NH2+][C@H](C[NH3+])CC(C)C)cc1 ZINC000414854731 394772147 /nfs/dbraw/zinc/77/21/47/394772147.db2.gz VGLYUNMEXKTIDC-HNNXBMFYSA-N 2 1 280.412 2.175 20 0 CEADMP C[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)[C@H]1CCC[NH2+]C1 ZINC000414853956 394772926 /nfs/dbraw/zinc/77/29/26/394772926.db2.gz LOYXBHPXGWUDNG-RYUDHWBXSA-N 2 1 292.814 2.465 20 0 CEADMP C[C@H]([NH2+]Cc1ccccc1OCC1CC1)C1C[NH2+]C1 ZINC000422774238 394774132 /nfs/dbraw/zinc/77/41/32/394774132.db2.gz WFEKFTNZZLOUHU-LBPRGKRZSA-N 2 1 260.381 2.173 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000414861356 394776024 /nfs/dbraw/zinc/77/60/24/394776024.db2.gz SAUQZPRXXKHTIL-UHFFFAOYSA-N 2 1 264.417 2.167 20 0 CEADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000422776573 394776406 /nfs/dbraw/zinc/77/64/06/394776406.db2.gz CZZLRAZCCMNRBW-DRCTWCGVSA-N 2 1 286.778 2.321 20 0 CEADMP Fc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000422778263 394777706 /nfs/dbraw/zinc/77/77/06/394777706.db2.gz HCPSOKOSLVCSNE-CWRNSKLLSA-N 2 1 296.361 2.212 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1O ZINC000414866125 394777993 /nfs/dbraw/zinc/77/79/93/394777993.db2.gz MEXMCCRFRDLFCB-GXTWGEPZSA-N 2 1 278.396 2.064 20 0 CEADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)[C@@H]1CCC[NH2+]1 ZINC000422779332 394778627 /nfs/dbraw/zinc/77/86/27/394778627.db2.gz IGGLDEQXPMJCTB-GJZGRUSLSA-N 3 1 264.417 2.092 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)Oc1cccc(F)c1 ZINC000422780739 394779459 /nfs/dbraw/zinc/77/94/59/394779459.db2.gz DHIYFSOSUMVOMS-TYNCELHUSA-N 2 1 266.360 2.323 20 0 CEADMP C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)C1C[NH2+]C1 ZINC000422781844 394780542 /nfs/dbraw/zinc/78/05/42/394780542.db2.gz LDHKHVYSGGUUDI-RCBQFDQVSA-N 2 1 260.381 2.104 20 0 CEADMP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414870858 394780586 /nfs/dbraw/zinc/78/05/86/394780586.db2.gz SYWSSEZKNCTCMM-DOMZBBRYSA-N 2 1 250.361 2.488 20 0 CEADMP Cc1nc(C)c(C[NH2+]CCC[NH2+]Cc2cccnc2)s1 ZINC000414871188 394781104 /nfs/dbraw/zinc/78/11/04/394781104.db2.gz DCFFPKLSEAJKII-UHFFFAOYSA-N 2 1 290.436 2.424 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000414881664 394785796 /nfs/dbraw/zinc/78/57/96/394785796.db2.gz SLVOJJCYZDDAQB-SSDOTTSWSA-N 2 1 293.155 2.412 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](N[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000414881965 394786968 /nfs/dbraw/zinc/78/69/68/394786968.db2.gz BFQBXSCFWLPEHR-CADBVGFASA-N 2 1 299.462 2.239 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC2([NH3+])CCC2)C1 ZINC000414884044 394787463 /nfs/dbraw/zinc/78/74/63/394787463.db2.gz VKLOJISFRAHVKQ-ZBFHGGJFSA-N 2 1 273.424 2.293 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000414884044 394787466 /nfs/dbraw/zinc/78/74/66/394787466.db2.gz VKLOJISFRAHVKQ-ZBFHGGJFSA-N 2 1 273.424 2.293 20 0 CEADMP [NH3+]CC1CCC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000422792354 394790243 /nfs/dbraw/zinc/79/02/43/394790243.db2.gz DMEHIPYPFJJELP-PREGVCBESA-N 3 1 279.472 2.358 20 0 CEADMP [NH3+]CC1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000422792354 394790247 /nfs/dbraw/zinc/79/02/47/394790247.db2.gz DMEHIPYPFJJELP-PREGVCBESA-N 3 1 279.472 2.358 20 0 CEADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422794357 394791288 /nfs/dbraw/zinc/79/12/88/394791288.db2.gz UFFBJBWQBLOXID-SJORKVTESA-N 3 1 275.440 2.498 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000422843587 394824482 /nfs/dbraw/zinc/82/44/82/394824482.db2.gz IVHKJDCSBSOOED-GJZGRUSLSA-N 2 1 297.512 2.065 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1ccc(OCC2CC2)cc1)C1CC1 ZINC000414894840 394792370 /nfs/dbraw/zinc/79/23/70/394792370.db2.gz UOHPTYHILFMXKR-MRXNPFEDSA-N 2 1 260.381 2.302 20 0 CEADMP [NH3+][C@@H](C[NH2+]C/C=C/c1ccc(F)cc1F)C1CC1 ZINC000414895678 394793543 /nfs/dbraw/zinc/79/35/43/394793543.db2.gz YOEOSYXBIQGLNV-YUKKFKLSSA-N 2 1 252.308 2.305 20 0 CEADMP C[C@]1(C[NH2+]Cc2cc3ccccc3[nH]c2=O)CCC[NH2+]C1 ZINC000414896197 394793641 /nfs/dbraw/zinc/79/36/41/394793641.db2.gz BBTLXPZGRHRSQC-KRWDZBQOSA-N 2 1 285.391 2.420 20 0 CEADMP C[C@H](CC[NH3+])[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000414895326 394793990 /nfs/dbraw/zinc/79/39/90/394793990.db2.gz NAYIECYXLLKORY-MRVPVSSYSA-N 2 1 253.346 2.262 20 0 CEADMP [NH3+]CCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000414899330 394794667 /nfs/dbraw/zinc/79/46/67/394794667.db2.gz FLHYRWTWJOEHMT-KZNAEPCWSA-N 3 1 287.451 2.226 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000414912538 394800453 /nfs/dbraw/zinc/80/04/53/394800453.db2.gz YLLRUBBFMJIQSJ-JQHSSLGASA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414912538 394800457 /nfs/dbraw/zinc/80/04/57/394800457.db2.gz YLLRUBBFMJIQSJ-JQHSSLGASA-N 2 1 287.451 2.239 20 0 CEADMP CN(C)c1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c2ccccc2n1 ZINC000422810033 394803381 /nfs/dbraw/zinc/80/33/81/394803381.db2.gz QVVOJBGQJLEGAP-ZBFHGGJFSA-N 2 1 284.407 2.270 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000335877209 394807883 /nfs/dbraw/zinc/80/78/83/394807883.db2.gz BYUJMLXUYDMDSF-HNNXBMFYSA-N 2 1 272.396 2.479 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000335877209 394807885 /nfs/dbraw/zinc/80/78/85/394807885.db2.gz BYUJMLXUYDMDSF-HNNXBMFYSA-N 2 1 272.396 2.479 20 0 CEADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000414959206 394825392 /nfs/dbraw/zinc/82/53/92/394825392.db2.gz PVNWNMKRBRRZJF-BLLLJJGKSA-N 2 1 288.370 2.099 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000360838961 394808148 /nfs/dbraw/zinc/80/81/48/394808148.db2.gz FMEDHTFYCAIKOB-XJKSGUPXSA-N 2 1 276.424 2.311 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414930580 394808538 /nfs/dbraw/zinc/80/85/38/394808538.db2.gz QBTSKVLDJDGFLJ-VXGBXAGGSA-N 2 1 297.830 2.014 20 0 CEADMP Cc1nc(COc2ccc(C[NH2+][C@H](C)C[NH3+])cc2)cs1 ZINC000414932784 394809563 /nfs/dbraw/zinc/80/95/63/394809563.db2.gz SKMIAMASSXNUBW-LLVKDONJSA-N 2 1 291.420 2.467 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414940347 394813480 /nfs/dbraw/zinc/81/34/80/394813480.db2.gz XQGXFGSZZRENAF-KCQAQPDRSA-N 2 1 262.397 2.214 20 0 CEADMP COC[C@@]1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CCC[NH2+]1 ZINC000414942883 394814282 /nfs/dbraw/zinc/81/42/82/394814282.db2.gz CHTVLYHKJMWIME-CVEARBPZSA-N 2 1 294.826 2.165 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2[NH2+]CCc3ccccc32)[C@@H](C)C1 ZINC000414943094 394814299 /nfs/dbraw/zinc/81/42/99/394814299.db2.gz CNAHMRYBSPGQIF-WBAXXEDZSA-N 2 1 287.451 2.193 20 0 CEADMP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1)[NH+](C)C ZINC000122505515 394814620 /nfs/dbraw/zinc/81/46/20/394814620.db2.gz QFVZKSVGYMPUGG-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000414944886 394815224 /nfs/dbraw/zinc/81/52/24/394815224.db2.gz QQEFNJOQGZULPZ-WBMJQRKESA-N 2 1 288.370 2.099 20 0 CEADMP CCN(CC)c1ncc(C[NH2+]C2(C)CC[NH2+]CC2)s1 ZINC000414946647 394816352 /nfs/dbraw/zinc/81/63/52/394816352.db2.gz UNRFLDAQCYFWRR-UHFFFAOYSA-N 2 1 282.457 2.221 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2N)CC1 ZINC000422837768 394821018 /nfs/dbraw/zinc/82/10/18/394821018.db2.gz MRLWFIOONCBXGN-JKSUJKDBSA-N 2 1 267.461 2.214 20 0 CEADMP CCC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1nnc2ccccn21 ZINC000422740524 394750438 /nfs/dbraw/zinc/75/04/38/394750438.db2.gz MWLFBZZYSLDJDU-UPJWGTAASA-N 2 1 275.400 2.286 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000129441829 394866259 /nfs/dbraw/zinc/86/62/59/394866259.db2.gz HQYZBDDEBHFDHM-UKRRQHHQSA-N 2 1 292.423 2.319 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@@]1(C)C[NH3+] ZINC000415057721 394867043 /nfs/dbraw/zinc/86/70/43/394867043.db2.gz SZQXZUAUKLMUAM-IUODEOHRSA-N 2 1 264.417 2.055 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@@]1(C)C[NH3+] ZINC000415057721 394867048 /nfs/dbraw/zinc/86/70/48/394867048.db2.gz SZQXZUAUKLMUAM-IUODEOHRSA-N 2 1 264.417 2.055 20 0 CEADMP CC(C)n1cc2c(n1)C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)CC2 ZINC000422945389 394867510 /nfs/dbraw/zinc/86/75/10/394867510.db2.gz UJXUCYVCJGWQFH-SNPRPXQTSA-N 2 1 276.428 2.051 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)CCO1 ZINC000415068237 394873513 /nfs/dbraw/zinc/87/35/13/394873513.db2.gz QVIHJKRHBIRWTC-KFWWJZLASA-N 2 1 254.418 2.297 20 0 CEADMP Cc1cccn2c(C[NH2+][C@@H](C[NH3+])C3CCCC3)cnc12 ZINC000415069719 394874480 /nfs/dbraw/zinc/87/44/80/394874480.db2.gz TVQHZMGISZEXGO-HNNXBMFYSA-N 2 1 272.396 2.250 20 0 CEADMP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CCC[C@H]2[NH3+])n1 ZINC000422991619 394875972 /nfs/dbraw/zinc/87/59/72/394875972.db2.gz PWOWPOHZZNTJDS-CABCVRRESA-N 2 1 270.380 2.150 20 0 CEADMP Cc1[nH+]ccn1CCC[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000336805880 394877306 /nfs/dbraw/zinc/87/73/06/394877306.db2.gz USBMRFMUQNQQLD-UHFFFAOYSA-N 2 1 265.401 2.471 20 0 CEADMP COCc1cc(C[NH2+]C[C@@H]([NH3+])CC(C)C)ccc1F ZINC000415076288 394877340 /nfs/dbraw/zinc/87/73/40/394877340.db2.gz GCWBYVOTCLUPGE-AWEZNQCLSA-N 2 1 268.376 2.435 20 0 CEADMP COCc1cccc(C[NH2+]C[C@H]([NH3+])CC(C)C)c1 ZINC000415077833 394877960 /nfs/dbraw/zinc/87/79/60/394877960.db2.gz FOBIDJDYHXMABR-OAHLLOKOSA-N 2 1 250.386 2.296 20 0 CEADMP CCN(CC)c1ncc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)s1 ZINC000414969881 394831464 /nfs/dbraw/zinc/83/14/64/394831464.db2.gz JVCJAJQAODACOY-ZDUSSCGKSA-N 2 1 296.484 2.467 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc(OC)c1 ZINC000414978237 394834405 /nfs/dbraw/zinc/83/44/05/394834405.db2.gz SYSOXTHYBOYAOO-OAHLLOKOSA-N 2 1 278.396 2.182 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422861367 394834734 /nfs/dbraw/zinc/83/47/34/394834734.db2.gz JGERQPUKZISMLI-NHYWBVRUSA-N 2 1 250.361 2.264 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000414980156 394835495 /nfs/dbraw/zinc/83/54/95/394835495.db2.gz PELIXJWMOYNLFH-NSHDSACASA-N 2 1 258.312 2.157 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000414982675 394835824 /nfs/dbraw/zinc/83/58/24/394835824.db2.gz SBPGRIUIXWAPBX-NSHDSACASA-N 2 1 276.302 2.455 20 0 CEADMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC2CC2)[C@H]1c1cccs1 ZINC000361943294 394838379 /nfs/dbraw/zinc/83/83/79/394838379.db2.gz KRCZTXAVWGWRET-MFKMUULPSA-N 2 1 278.425 2.017 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000422868763 394839553 /nfs/dbraw/zinc/83/95/53/394839553.db2.gz VXIFWBLIPQXXCZ-JFIYKMOQSA-N 2 1 289.467 2.266 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422877332 394844340 /nfs/dbraw/zinc/84/43/40/394844340.db2.gz HRCIVRUWLQVOFK-OWCLPIDISA-N 3 1 267.461 2.371 20 0 CEADMP C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422877332 394844347 /nfs/dbraw/zinc/84/43/47/394844347.db2.gz HRCIVRUWLQVOFK-OWCLPIDISA-N 2 1 267.461 2.371 20 0 CEADMP C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422877332 394844353 /nfs/dbraw/zinc/84/43/53/394844353.db2.gz HRCIVRUWLQVOFK-OWCLPIDISA-N 2 1 267.461 2.371 20 0 CEADMP CC[C@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000126418059 394846188 /nfs/dbraw/zinc/84/61/88/394846188.db2.gz MKRVDCJOSVXLAQ-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422880175 394847129 /nfs/dbraw/zinc/84/71/29/394847129.db2.gz NLBABQIWDSUMMN-QKPAOTATSA-N 3 1 269.477 2.460 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422880175 394847131 /nfs/dbraw/zinc/84/71/31/394847131.db2.gz NLBABQIWDSUMMN-QKPAOTATSA-N 3 1 269.477 2.460 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000415008872 394847698 /nfs/dbraw/zinc/84/76/98/394847698.db2.gz NGISKZWUZBQBFV-HEHGZKQESA-N 2 1 278.396 2.070 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000422889696 394851973 /nfs/dbraw/zinc/85/19/73/394851973.db2.gz QFBCSHUCGQUBJC-KFWWJZLASA-N 3 1 255.450 2.356 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000422889696 394851975 /nfs/dbraw/zinc/85/19/75/394851975.db2.gz QFBCSHUCGQUBJC-KFWWJZLASA-N 3 1 255.450 2.356 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](C1CCCCC1)N(C)C ZINC000422895432 394853585 /nfs/dbraw/zinc/85/35/85/394853585.db2.gz VZHYXVNEKQJZOB-DJIMGWMZSA-N 2 1 281.488 2.475 20 0 CEADMP Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cn1 ZINC000422896648 394855291 /nfs/dbraw/zinc/85/52/91/394855291.db2.gz YKWJCHHMUAKTBI-YOEHRIQHSA-N 2 1 269.392 2.438 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415035628 394857573 /nfs/dbraw/zinc/85/75/73/394857573.db2.gz DWRPAGYFTBPPOP-HIFRSBDPSA-N 2 1 290.407 2.365 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415035628 394857578 /nfs/dbraw/zinc/85/75/78/394857578.db2.gz DWRPAGYFTBPPOP-HIFRSBDPSA-N 2 1 290.407 2.365 20 0 CEADMP COC(=O)C1(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000415093967 394887851 /nfs/dbraw/zinc/88/78/51/394887851.db2.gz DACFNMRPTHRHCK-LSDHHAIUSA-N 2 1 288.391 2.023 20 0 CEADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)CC2 ZINC000423313192 394889777 /nfs/dbraw/zinc/88/97/77/394889777.db2.gz FIWSUAOBUVJTQJ-ZIAGYGMSSA-N 2 1 276.380 2.018 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@H]([NH3+])C2CC2)C[C@@H]1c1ccccc1 ZINC000423335183 394890178 /nfs/dbraw/zinc/89/01/78/394890178.db2.gz WYJVZXVHSXRIJI-YESZJQIVSA-N 2 1 273.424 2.149 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000415102012 394890171 /nfs/dbraw/zinc/89/01/71/394890171.db2.gz CAQMOONRCHMZBD-UKRRQHHQSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000415103163 394891201 /nfs/dbraw/zinc/89/12/01/394891201.db2.gz CSMOEQIWXSNKLT-PBHICJAKSA-N 2 1 288.435 2.471 20 0 CEADMP c1cn(CCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000415115586 394894666 /nfs/dbraw/zinc/89/46/66/394894666.db2.gz UGCJIOMUXJKTKW-IRXDYDNUSA-N 2 1 284.407 2.356 20 0 CEADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000423360738 394900121 /nfs/dbraw/zinc/90/01/21/394900121.db2.gz QQZUMSGYXUPRDE-RBSFLKMASA-N 2 1 282.428 2.230 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423363128 394901193 /nfs/dbraw/zinc/90/11/93/394901193.db2.gz BMLZFMGMOWUYRZ-NRSFXHEJSA-N 2 1 287.451 2.410 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000423363128 394901195 /nfs/dbraw/zinc/90/11/95/394901195.db2.gz BMLZFMGMOWUYRZ-NRSFXHEJSA-N 2 1 287.451 2.410 20 0 CEADMP C[C@@H](C[NH3+])N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423362994 394901220 /nfs/dbraw/zinc/90/12/20/394901220.db2.gz IQLVZRKPEPRHOC-DZJNRPSUSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000423362558 394901232 /nfs/dbraw/zinc/90/12/32/394901232.db2.gz BFTZOGVJHPJGJV-JLSDUUJJSA-N 2 1 296.418 2.348 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc3OC2)CC[N@@H+]1C ZINC000338010617 394903435 /nfs/dbraw/zinc/90/34/35/394903435.db2.gz ZLQNSNUOGRTMBV-VNQPRFMTSA-N 2 1 274.408 2.453 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc3OC2)CC[N@H+]1C ZINC000338010617 394903439 /nfs/dbraw/zinc/90/34/39/394903439.db2.gz ZLQNSNUOGRTMBV-VNQPRFMTSA-N 2 1 274.408 2.453 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000423369578 394904925 /nfs/dbraw/zinc/90/49/25/394904925.db2.gz SRWXFOALBPLKDD-MXSMSXNCSA-N 2 1 287.451 2.095 20 0 CEADMP Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)nc(C)[nH+]1 ZINC000364887104 394915573 /nfs/dbraw/zinc/91/55/73/394915573.db2.gz ZLQRUKMORJCZGO-RRFJBIMHSA-N 2 1 272.396 2.014 20 0 CEADMP Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)nc(C)[nH+]1 ZINC000364887104 394915577 /nfs/dbraw/zinc/91/55/77/394915577.db2.gz ZLQRUKMORJCZGO-RRFJBIMHSA-N 2 1 272.396 2.014 20 0 CEADMP C[NH2+]CCc1ccccc1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000423423231 394919290 /nfs/dbraw/zinc/91/92/90/394919290.db2.gz DRBUQVMRYHMCTE-UHFFFAOYSA-N 2 1 298.390 2.162 20 0 CEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2c(c1)CCCC2 ZINC000423428906 394919789 /nfs/dbraw/zinc/91/97/89/394919789.db2.gz JSOABTVENOSXNR-JKEMJCCQSA-N 2 1 256.393 2.434 20 0 CEADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423457796 394925522 /nfs/dbraw/zinc/92/55/22/394925522.db2.gz GANZZSGOBXBLGZ-AUTRQRHGSA-N 2 1 252.333 2.147 20 0 CEADMP C[C@H]([NH3+])[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423462658 394927470 /nfs/dbraw/zinc/92/74/70/394927470.db2.gz KZCNEDMSOFDOQE-SDADXPQNSA-N 2 1 261.413 2.147 20 0 CEADMP c1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CC2)cc1 ZINC000423484701 394931484 /nfs/dbraw/zinc/93/14/84/394931484.db2.gz ABSSDDLIGXIBKK-JKSUJKDBSA-N 2 1 260.381 2.106 20 0 CEADMP N[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423487372 394931926 /nfs/dbraw/zinc/93/19/26/394931926.db2.gz UGJKULLERSJYCB-WQVCFCJDSA-N 2 1 259.397 2.253 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cs1 ZINC000423492260 394934435 /nfs/dbraw/zinc/93/44/35/394934435.db2.gz MKQPWXGYPJHIGA-YPMHNXCESA-N 2 1 254.399 2.086 20 0 CEADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCC2 ZINC000423497503 394935451 /nfs/dbraw/zinc/93/54/51/394935451.db2.gz ZBIUPSIMBWCVGZ-NWDGAFQWSA-N 2 1 295.452 2.051 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000423499248 394935974 /nfs/dbraw/zinc/93/59/74/394935974.db2.gz JEQNVVLJOQUDFF-FSPWUOQZSA-N 2 1 287.451 2.321 20 0 CEADMP CC(C)CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C(C)(C)C ZINC000423502742 394938062 /nfs/dbraw/zinc/93/80/62/394938062.db2.gz FHYVJCJVEDACAI-LSDHHAIUSA-N 2 1 269.477 2.331 20 0 CEADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423505615 394939188 /nfs/dbraw/zinc/93/91/88/394939188.db2.gz HFWZQSLVOVCMCQ-SJJHQCBESA-N 2 1 279.472 2.227 20 0 CEADMP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423519559 394943098 /nfs/dbraw/zinc/94/30/98/394943098.db2.gz PZQCWHZAXLBCJG-IMJJTQAJSA-N 3 1 261.413 2.197 20 0 CEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(-n2cncn2)cc1 ZINC000423535764 394947766 /nfs/dbraw/zinc/94/77/66/394947766.db2.gz YEYJKJGJLHVYNA-DYVFJYSZSA-N 2 1 299.422 2.435 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C[C@H]1c1ccccc1 ZINC000340272394 394981539 /nfs/dbraw/zinc/98/15/39/394981539.db2.gz RORCVYPLGPXMLC-RANZSIQMSA-N 2 1 286.419 2.349 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C[C@H]1c1ccccc1 ZINC000340272394 394981541 /nfs/dbraw/zinc/98/15/41/394981541.db2.gz RORCVYPLGPXMLC-RANZSIQMSA-N 2 1 286.419 2.349 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1NC(C)=O ZINC000151946803 394982267 /nfs/dbraw/zinc/98/22/67/394982267.db2.gz SEIRCWBJJMOTCK-LBPRGKRZSA-N 2 1 293.411 2.256 20 0 CEADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[N@H+](C)C(C)C)cc1 ZINC000151940014 394982418 /nfs/dbraw/zinc/98/24/18/394982418.db2.gz DOKJVTPHJZDHIE-MRXNPFEDSA-N 2 1 291.439 2.266 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000368235083 394982503 /nfs/dbraw/zinc/98/25/03/394982503.db2.gz NRZKVZUQDDZXFC-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415953469 394986852 /nfs/dbraw/zinc/98/68/52/394986852.db2.gz HANBIHXZDHGRAF-ZDUSSCGKSA-N 2 1 292.427 2.387 20 0 CEADMP C1CC2(C1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)[C@H]1CCO[C@@H]12 ZINC000342542103 395017006 /nfs/dbraw/zinc/01/70/06/395017006.db2.gz NVRBYADXCMKRCT-QCODTGAPSA-N 2 1 276.424 2.160 20 0 CEADMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC[C@H]1C ZINC000342743050 395021095 /nfs/dbraw/zinc/02/10/95/395021095.db2.gz XOQZDURGOXJDCD-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC[C@H]1C ZINC000342743050 395021099 /nfs/dbraw/zinc/02/10/99/395021099.db2.gz XOQZDURGOXJDCD-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CC[C@H]1C ZINC000342743050 395021101 /nfs/dbraw/zinc/02/11/01/395021101.db2.gz XOQZDURGOXJDCD-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP COCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154714025 395024224 /nfs/dbraw/zinc/02/42/24/395024224.db2.gz KAYYTLWHQGVCKX-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP COCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154714025 395024228 /nfs/dbraw/zinc/02/42/28/395024228.db2.gz KAYYTLWHQGVCKX-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP OC(C[NH+]1C[C@H]2CCCC[C@H]21)C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368011882 394975473 /nfs/dbraw/zinc/97/54/73/394975473.db2.gz KVDWXBKZMYLKQU-MUIFIZLQSA-N 2 1 278.440 2.096 20 0 CEADMP OC(C[NH+]1C[C@H]2CCCC[C@H]21)C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368011882 394975477 /nfs/dbraw/zinc/97/54/77/394975477.db2.gz KVDWXBKZMYLKQU-MUIFIZLQSA-N 2 1 278.440 2.096 20 0 CEADMP C[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340168192 394979471 /nfs/dbraw/zinc/97/94/71/394979471.db2.gz QZMPPJICHYCJIY-IAGOWNOFSA-N 2 1 275.440 2.363 20 0 CEADMP CCCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158900859 395056541 /nfs/dbraw/zinc/05/65/41/395056541.db2.gz ZNIBMUOUHPCDRS-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158900859 395056545 /nfs/dbraw/zinc/05/65/45/395056545.db2.gz ZNIBMUOUHPCDRS-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158900859 395056547 /nfs/dbraw/zinc/05/65/47/395056547.db2.gz ZNIBMUOUHPCDRS-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158900859 395056551 /nfs/dbraw/zinc/05/65/51/395056551.db2.gz ZNIBMUOUHPCDRS-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC(N(C)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000161766901 395065057 /nfs/dbraw/zinc/06/50/57/395065057.db2.gz ALHYINYTFFGXII-HNNXBMFYSA-N 2 1 267.461 2.277 20 0 CEADMP CC(C)COCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000374300985 395079713 /nfs/dbraw/zinc/07/97/13/395079713.db2.gz ZOZCWIYVVTVZNX-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)COCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000374300985 395079716 /nfs/dbraw/zinc/07/97/16/395079716.db2.gz ZOZCWIYVVTVZNX-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC000426800849 395080397 /nfs/dbraw/zinc/08/03/97/395080397.db2.gz PKKCGOFUKMCYFR-AWEZNQCLSA-N 2 1 291.439 2.207 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCO1 ZINC000346196981 395091102 /nfs/dbraw/zinc/09/11/02/395091102.db2.gz PMMKLPPGQNIDKV-CABCVRRESA-N 2 1 252.402 2.042 20 0 CEADMP CC(C)OC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000375592905 395095065 /nfs/dbraw/zinc/09/50/65/395095065.db2.gz VFFSQZIBSXDCQG-FFHGMXDLSA-N 2 1 254.418 2.405 20 0 CEADMP CC(C)OC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000375592905 395095067 /nfs/dbraw/zinc/09/50/67/395095067.db2.gz VFFSQZIBSXDCQG-FFHGMXDLSA-N 2 1 254.418 2.405 20 0 CEADMP Cn1cc(C[NH2+]CCC[NH+]2CCCC2)c(C(C)(C)C)n1 ZINC000158134380 395038377 /nfs/dbraw/zinc/03/83/77/395038377.db2.gz BGGIMGUHPWBQGH-UHFFFAOYSA-N 2 1 278.444 2.293 20 0 CEADMP CCC[C@H]1CN(c2cccc(C)n2)CC[N@H+]1CCOC ZINC000158300508 395042146 /nfs/dbraw/zinc/04/21/46/395042146.db2.gz QJADQUXJBLXNLX-HNNXBMFYSA-N 2 1 277.412 2.327 20 0 CEADMP CC(C)COCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000376411506 395119562 /nfs/dbraw/zinc/11/95/62/395119562.db2.gz INHMHITWGKDRFB-OWCLPIDISA-N 2 1 266.429 2.075 20 0 CEADMP CC(C)COCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000376411506 395119565 /nfs/dbraw/zinc/11/95/65/395119565.db2.gz INHMHITWGKDRFB-OWCLPIDISA-N 2 1 266.429 2.075 20 0 CEADMP CC(C)COCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000376411506 395119567 /nfs/dbraw/zinc/11/95/67/395119567.db2.gz INHMHITWGKDRFB-OWCLPIDISA-N 2 1 266.429 2.075 20 0 CEADMP C[C@@H](C[C@H](C)[NH2+]C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000494555908 395120760 /nfs/dbraw/zinc/12/07/60/395120760.db2.gz SBVIETMRCNMLFK-STQMWFEESA-N 2 1 299.459 2.362 20 0 CEADMP CC[N@H+](CC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)C(C)C ZINC000348122638 395135337 /nfs/dbraw/zinc/13/53/37/395135337.db2.gz KSPFVLRFODUUMT-RYUDHWBXSA-N 2 1 282.350 2.416 20 0 CEADMP CC[N@@H+](CC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)C(C)C ZINC000348122638 395135344 /nfs/dbraw/zinc/13/53/44/395135344.db2.gz KSPFVLRFODUUMT-RYUDHWBXSA-N 2 1 282.350 2.416 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494675272 395133998 /nfs/dbraw/zinc/13/39/98/395133998.db2.gz UEHJDSSTHLBQOP-CVEARBPZSA-N 2 1 295.471 2.289 20 0 CEADMP Cc1nnsc1C[NH2+]Cc1cnc2ccc(C)cn12 ZINC000291643300 395148462 /nfs/dbraw/zinc/14/84/62/395148462.db2.gz BTJDMBLYZMKWSC-UHFFFAOYSA-N 2 1 273.365 2.092 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000380867158 395170089 /nfs/dbraw/zinc/17/00/89/395170089.db2.gz GNOTUIDFIJBLFL-GDBMZVCRSA-N 2 1 262.397 2.306 20 0 CEADMP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000350068155 395179125 /nfs/dbraw/zinc/17/91/25/395179125.db2.gz DGIMGSSCKYPOPW-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000352065411 395244459 /nfs/dbraw/zinc/24/44/59/395244459.db2.gz KXUQFCQEKYVFEK-ZNMIVQPWSA-N 2 1 283.460 2.094 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)C1 ZINC000383774607 395187230 /nfs/dbraw/zinc/18/72/30/395187230.db2.gz RQYBNGNXROEFHH-IRXDYDNUSA-N 2 1 276.424 2.177 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)C1 ZINC000383774607 395187235 /nfs/dbraw/zinc/18/72/35/395187235.db2.gz RQYBNGNXROEFHH-IRXDYDNUSA-N 2 1 276.424 2.177 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000383774607 395187239 /nfs/dbraw/zinc/18/72/39/395187239.db2.gz RQYBNGNXROEFHH-IRXDYDNUSA-N 2 1 276.424 2.177 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000383774607 395187243 /nfs/dbraw/zinc/18/72/43/395187243.db2.gz RQYBNGNXROEFHH-IRXDYDNUSA-N 2 1 276.424 2.177 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000433029068 395192315 /nfs/dbraw/zinc/19/23/15/395192315.db2.gz AWQCJINVYFASLD-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP OCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC2(CCC2)C1 ZINC000433058192 395194516 /nfs/dbraw/zinc/19/45/16/395194516.db2.gz JZWRDCAKVIWXGZ-CABCVRRESA-N 2 1 278.440 2.146 20 0 CEADMP C(C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)[C@@H]1CCC[NH2+]C1 ZINC000519654540 395203463 /nfs/dbraw/zinc/20/34/63/395203463.db2.gz TXTXCWSOHUPSEB-ARFHVFGLSA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000394429364 395205917 /nfs/dbraw/zinc/20/59/17/395205917.db2.gz VMTQNZQPRRLIMF-QGZVFWFLSA-N 2 1 298.434 2.492 20 0 CEADMP C[C@@H](C[NH2+]CC[C@H]1CCOC1)[NH+]1CCC(C)CC1 ZINC000438213180 395213808 /nfs/dbraw/zinc/21/38/08/395213808.db2.gz NBLFRCYSTHFISG-GJZGRUSLSA-N 2 1 254.418 2.123 20 0 CEADMP COc1ccc(OC)c(C[N@H+](CCC[NH3+])C2CC2)c1 ZINC000395985368 395214802 /nfs/dbraw/zinc/21/48/02/395214802.db2.gz YBVPSLBKZBAYNT-UHFFFAOYSA-N 2 1 264.369 2.017 20 0 CEADMP COc1ccc(OC)c(C[N@@H+](CCC[NH3+])C2CC2)c1 ZINC000395985368 395214807 /nfs/dbraw/zinc/21/48/07/395214807.db2.gz YBVPSLBKZBAYNT-UHFFFAOYSA-N 2 1 264.369 2.017 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2)C[C@@H]1C[NH3+] ZINC000397289134 395221417 /nfs/dbraw/zinc/22/14/17/395221417.db2.gz WEJWTWTYJBXOIQ-ILXRZTDVSA-N 2 1 289.423 2.320 20 0 CEADMP COCc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])o1 ZINC000404266088 395280940 /nfs/dbraw/zinc/28/09/40/395280940.db2.gz HNOTUECXXDGMRV-DOMZBBRYSA-N 2 1 266.385 2.375 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000189233340 395324853 /nfs/dbraw/zinc/32/48/53/395324853.db2.gz WGXSSUMNWJUWNY-OLZOCXBDSA-N 2 1 254.418 2.406 20 0 CEADMP CCc1cc(N2CCC([C@@H]3CC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000420260408 395284413 /nfs/dbraw/zinc/28/44/13/395284413.db2.gz NSUNGVASMZEYCN-CQSZACIVSA-N 2 1 274.412 2.173 20 0 CEADMP c1cc(CCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccn1 ZINC000420322781 395325866 /nfs/dbraw/zinc/32/58/66/395325866.db2.gz FKFYWDARGNXJCL-IRXDYDNUSA-N 2 1 273.424 2.336 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCOCC(F)(F)C(F)F ZINC000420284663 395294266 /nfs/dbraw/zinc/29/42/66/395294266.db2.gz DDSRRHYVSLMHIY-SNVBAGLBSA-N 2 1 288.329 2.209 20 0 CEADMP Cc1ccccc1[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420323369 395326207 /nfs/dbraw/zinc/32/62/07/395326207.db2.gz TUFQTFOUIJWRKF-KRWDZBQOSA-N 2 1 273.424 2.037 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000420295351 395300751 /nfs/dbraw/zinc/30/07/51/395300751.db2.gz ABSPNFDKNVERFA-AWEZNQCLSA-N 2 1 292.423 2.444 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCO2)[C@@H]2CCC[C@@H]21 ZINC000353514253 395300795 /nfs/dbraw/zinc/30/07/95/395300795.db2.gz BZTXCUJGQVHQFB-AJNGGQMLSA-N 2 1 252.402 2.018 20 0 CEADMP COc1ccc([C@H](CO)[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420296061 395302461 /nfs/dbraw/zinc/30/24/61/395302461.db2.gz CYNVRXAVYQRBQE-PBHICJAKSA-N 2 1 292.423 2.050 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCSC2)[C@H]2CCC[C@@H]21 ZINC000353604100 395303292 /nfs/dbraw/zinc/30/32/92/395303292.db2.gz IFWWOXJFYYIZBE-CRWXNKLISA-N 2 1 254.443 2.202 20 0 CEADMP CC(C)n1ncnc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000434482713 395303521 /nfs/dbraw/zinc/30/35/21/395303521.db2.gz STSJREBVJMZQEE-UHFFFAOYSA-N 2 1 293.459 2.413 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](C)[C@@H]2C)cc1 ZINC000420297532 395304702 /nfs/dbraw/zinc/30/47/02/395304702.db2.gz GDDCRVYDNPRGPG-VNHYZAJKSA-N 2 1 262.397 2.468 20 0 CEADMP CCOC(=O)CCCC[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000420301663 395307635 /nfs/dbraw/zinc/30/76/35/395307635.db2.gz ASKINLMAMPKDIG-CQSZACIVSA-N 2 1 270.417 2.184 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2([NH3+])CCC2)c1 ZINC000296133635 395308737 /nfs/dbraw/zinc/30/87/37/395308737.db2.gz UQNLIGUBIOZNHK-UHFFFAOYSA-N 2 1 289.423 2.024 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420305406 395309761 /nfs/dbraw/zinc/30/97/61/395309761.db2.gz KDOOSEMFWDLSGA-QGZVFWFLSA-N 2 1 274.408 2.313 20 0 CEADMP CC[N@@H+](CC[C@H]1CCCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000420306062 395310567 /nfs/dbraw/zinc/31/05/67/395310567.db2.gz HGSXCDBHLJOKIN-HUUCEWRRSA-N 2 1 254.418 2.410 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000420306331 395311257 /nfs/dbraw/zinc/31/12/57/395311257.db2.gz ASEQJMDHDJKGQB-KGLIPLIRSA-N 2 1 250.411 2.222 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420305888 395311719 /nfs/dbraw/zinc/31/17/19/395311719.db2.gz KPGCYVSXPINXOA-KCQAQPDRSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420305888 395311723 /nfs/dbraw/zinc/31/17/23/395311723.db2.gz KPGCYVSXPINXOA-KCQAQPDRSA-N 2 1 289.423 2.245 20 0 CEADMP COCCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420306398 395311753 /nfs/dbraw/zinc/31/17/53/395311753.db2.gz HIAJZWJZHNFTQW-CYBMUJFWSA-N 2 1 295.452 2.124 20 0 CEADMP COCCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420306398 395311754 /nfs/dbraw/zinc/31/17/54/395311754.db2.gz HIAJZWJZHNFTQW-CYBMUJFWSA-N 2 1 295.452 2.124 20 0 CEADMP CCc1nccn1[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420326111 395327234 /nfs/dbraw/zinc/32/72/34/395327234.db2.gz XBBLMFQAPXBNSS-GJZGRUSLSA-N 2 1 276.428 2.082 20 0 CEADMP CCCC(=O)NC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420315178 395318154 /nfs/dbraw/zinc/31/81/54/395318154.db2.gz ZWRUCMCMHNVYCF-HZPDHXFCSA-N 2 1 295.471 2.004 20 0 CEADMP c1ccc(N[C@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420315609 395319844 /nfs/dbraw/zinc/31/98/44/395319844.db2.gz KZTBXANJHHEUEY-ZBFHGGJFSA-N 2 1 259.397 2.172 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420315635 395319856 /nfs/dbraw/zinc/31/98/56/395319856.db2.gz LAHKGLYEROORKS-JKSUJKDBSA-N 3 1 267.461 2.040 20 0 CEADMP Cc1noc(CCC[N@@H+](CCC[NH3+])CC2CCCC2)n1 ZINC000420318182 395322319 /nfs/dbraw/zinc/32/23/19/395322319.db2.gz PSSSEJWYPCRXMM-UHFFFAOYSA-N 2 1 280.416 2.152 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000419292489 395255701 /nfs/dbraw/zinc/25/57/01/395255701.db2.gz SZGIHENCLWGDBO-HUUCEWRRSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000419292489 395255704 /nfs/dbraw/zinc/25/57/04/395255704.db2.gz SZGIHENCLWGDBO-HUUCEWRRSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000419292489 395255707 /nfs/dbraw/zinc/25/57/07/395255707.db2.gz SZGIHENCLWGDBO-HUUCEWRRSA-N 2 1 254.418 2.075 20 0 CEADMP CCN(C[C@H](C)[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000420320777 395323162 /nfs/dbraw/zinc/32/31/62/395323162.db2.gz QGZYITCPZIAPMT-ZMSDIMECSA-N 2 1 275.440 2.491 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(c2ccccn2)CC1 ZINC000183841279 395265312 /nfs/dbraw/zinc/26/53/12/395265312.db2.gz UYFAMRNETFMLQU-INIZCTEOSA-N 2 1 288.439 2.078 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183841279 395265317 /nfs/dbraw/zinc/26/53/17/395265317.db2.gz UYFAMRNETFMLQU-INIZCTEOSA-N 2 1 288.439 2.078 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183841279 395265320 /nfs/dbraw/zinc/26/53/20/395265320.db2.gz UYFAMRNETFMLQU-INIZCTEOSA-N 2 1 288.439 2.078 20 0 CEADMP CCCCN(CCCC)C(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420368063 395355574 /nfs/dbraw/zinc/35/55/74/395355574.db2.gz TYGVXQQYHPWNAZ-OAHLLOKOSA-N 2 1 297.487 2.393 20 0 CEADMP Fc1cccc(OCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420372899 395358375 /nfs/dbraw/zinc/35/83/75/395358375.db2.gz MLXCUMNVIYJTQK-INIZCTEOSA-N 2 1 278.371 2.280 20 0 CEADMP Fc1cccc(OCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420372899 395358381 /nfs/dbraw/zinc/35/83/81/395358381.db2.gz MLXCUMNVIYJTQK-INIZCTEOSA-N 2 1 278.371 2.280 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000412418337 395358798 /nfs/dbraw/zinc/35/87/98/395358798.db2.gz LWNLRCFPQUVDKT-GJZGRUSLSA-N 2 1 283.460 2.001 20 0 CEADMP [NH3+]C[C@@H]([NH2+]CCCOCC(F)(F)F)C1CCCCC1 ZINC000420376995 395361708 /nfs/dbraw/zinc/36/17/08/395361708.db2.gz VVZNDUVOLPTGGO-GFCCVEGCSA-N 2 1 282.350 2.453 20 0 CEADMP CCCCN(CC)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420379966 395365255 /nfs/dbraw/zinc/36/52/55/395365255.db2.gz BXEPKUPLMKKCMW-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCN(CC)C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420379966 395365259 /nfs/dbraw/zinc/36/52/59/395365259.db2.gz BXEPKUPLMKKCMW-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCOCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420401357 395371276 /nfs/dbraw/zinc/37/12/76/395371276.db2.gz PIKIUHOVIGYJRC-GJZGRUSLSA-N 2 1 254.418 2.267 20 0 CEADMP Cc1ncsc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000355218611 395371326 /nfs/dbraw/zinc/37/13/26/395371326.db2.gz XUVSCPLRONWEIZ-HZSPNIEDSA-N 2 1 295.452 2.135 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000355218611 395371332 /nfs/dbraw/zinc/37/13/32/395371332.db2.gz XUVSCPLRONWEIZ-HZSPNIEDSA-N 2 1 295.452 2.135 20 0 CEADMP c1ccc([C@H]2CNCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000420405427 395372433 /nfs/dbraw/zinc/37/24/33/395372433.db2.gz MVRLPYLXWKAOOW-QGZVFWFLSA-N 2 1 273.424 2.023 20 0 CEADMP c1ccc([C@H]2C[NH2+]CCN2CCC2CC[NH2+]CC2)cc1 ZINC000420405427 395372437 /nfs/dbraw/zinc/37/24/37/395372437.db2.gz MVRLPYLXWKAOOW-QGZVFWFLSA-N 2 1 273.424 2.023 20 0 CEADMP CC(C)(C)CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420405823 395373176 /nfs/dbraw/zinc/37/31/76/395373176.db2.gz UCVYAUOQKFLATJ-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)(C)CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420405823 395373177 /nfs/dbraw/zinc/37/31/77/395373177.db2.gz UCVYAUOQKFLATJ-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)n1 ZINC000441261605 395383695 /nfs/dbraw/zinc/38/36/95/395383695.db2.gz UTDVMKIWWYNGBJ-BRWVUGGUSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)n1 ZINC000441261605 395383696 /nfs/dbraw/zinc/38/36/96/395383696.db2.gz UTDVMKIWWYNGBJ-BRWVUGGUSA-N 2 1 289.423 2.074 20 0 CEADMP C[N@@H+](CCO)C1CCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC000529528719 395395336 /nfs/dbraw/zinc/39/53/36/395395336.db2.gz TYYWNGHGTMUKHU-UHFFFAOYSA-N 2 1 287.407 2.056 20 0 CEADMP C(CN1CCC[N@H+](C2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000420328273 395329128 /nfs/dbraw/zinc/32/91/28/395329128.db2.gz ZVCFSPLSWKERDM-INIZCTEOSA-N 2 1 279.472 2.326 20 0 CEADMP C(C[N@@H+]1CCCN(C2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000420328273 395329130 /nfs/dbraw/zinc/32/91/30/395329130.db2.gz ZVCFSPLSWKERDM-INIZCTEOSA-N 2 1 279.472 2.326 20 0 CEADMP C(C[N@H+]1CCCN(C2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000420328273 395329131 /nfs/dbraw/zinc/32/91/31/395329131.db2.gz ZVCFSPLSWKERDM-INIZCTEOSA-N 2 1 279.472 2.326 20 0 CEADMP FC(F)(F)CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332515 395332723 /nfs/dbraw/zinc/33/27/23/395332723.db2.gz DCEZRKDUDCOYCB-WDEREUQCSA-N 2 1 250.308 2.260 20 0 CEADMP c1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)oc1C1CC1 ZINC000420338367 395334266 /nfs/dbraw/zinc/33/42/66/395334266.db2.gz XVYVVKIQCJREDS-KGLIPLIRSA-N 2 1 275.396 2.374 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000354562308 395335445 /nfs/dbraw/zinc/33/54/45/395335445.db2.gz CLCPQLSPZYDFMH-LSDHHAIUSA-N 2 1 252.402 2.043 20 0 CEADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349167 395339526 /nfs/dbraw/zinc/33/95/26/395339526.db2.gz BZGPHIQHVLPFMM-SKDRFNHKSA-N 2 1 276.302 2.018 20 0 CEADMP CCCCOCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000440695006 395343452 /nfs/dbraw/zinc/34/34/52/395343452.db2.gz PVVIBYHKYHYROX-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP CCCCOCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000440695006 395343456 /nfs/dbraw/zinc/34/34/56/395343456.db2.gz PVVIBYHKYHYROX-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP CCCCOCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000440695006 395343457 /nfs/dbraw/zinc/34/34/57/395343457.db2.gz PVVIBYHKYHYROX-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP C(C[N@H+]1CC[C@H](C2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420357508 395344306 /nfs/dbraw/zinc/34/43/06/395344306.db2.gz HYXXSOBCKDKHCC-ZBFHGGJFSA-N 2 1 266.429 2.125 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000193990056 395421613 /nfs/dbraw/zinc/42/16/13/395421613.db2.gz IESDOARSPFNNMU-KLHDSHLOSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C1=CC[NH+](C)CC1 ZINC000444301585 395426237 /nfs/dbraw/zinc/42/62/37/395426237.db2.gz FRZMBFWLTUEBES-XGUBFFRZSA-N 2 1 293.455 2.014 20 0 CEADMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000444301585 395426241 /nfs/dbraw/zinc/42/62/41/395426241.db2.gz FRZMBFWLTUEBES-XGUBFFRZSA-N 2 1 293.455 2.014 20 0 CEADMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000444301585 395426246 /nfs/dbraw/zinc/42/62/46/395426246.db2.gz FRZMBFWLTUEBES-XGUBFFRZSA-N 2 1 293.455 2.014 20 0 CEADMP CCCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C1CCC1 ZINC000566415771 395519769 /nfs/dbraw/zinc/51/97/69/395519769.db2.gz JPDXKUIVYZYBHT-GJZGRUSLSA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000572951463 395595310 /nfs/dbraw/zinc/59/53/10/395595310.db2.gz WTDRBNJJHLCTEX-LYAPFXNSSA-N 2 1 274.408 2.464 20 0 CEADMP CC[NH+](CC)CCSCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572986290 395597460 /nfs/dbraw/zinc/59/74/60/395597460.db2.gz DLYYPDSGNCTHEB-OKILXGFUSA-N 2 1 274.474 2.171 20 0 CEADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000451238333 395597545 /nfs/dbraw/zinc/59/75/45/395597545.db2.gz UCGXZTXDXVWLMM-KFWWJZLASA-N 2 1 282.428 2.182 20 0 CEADMP Cc1cccc2oc(CC[NH2+][C@H]3CNCC[C@@H]3C)nc21 ZINC000573355107 395606555 /nfs/dbraw/zinc/60/65/55/395606555.db2.gz MLIFXSJTRYHVAF-AAEUAGOBSA-N 2 1 273.380 2.266 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451418594 395615453 /nfs/dbraw/zinc/61/54/53/395615453.db2.gz JNXMTPBOBRIYBC-QXSJWSMHSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451418594 395615456 /nfs/dbraw/zinc/61/54/56/395615456.db2.gz JNXMTPBOBRIYBC-QXSJWSMHSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451418594 395615458 /nfs/dbraw/zinc/61/54/58/395615458.db2.gz JNXMTPBOBRIYBC-QXSJWSMHSA-N 2 1 266.429 2.096 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc1)C(C)C ZINC000449597952 395556743 /nfs/dbraw/zinc/55/67/43/395556743.db2.gz AILCXSLILLNDKN-UONOGXRCSA-N 2 1 291.439 2.382 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(Cc2ccccc2)CC1)C1CC1 ZINC000568383937 395556782 /nfs/dbraw/zinc/55/67/82/395556782.db2.gz PFWWQNYIBIOKCE-KRWDZBQOSA-N 2 1 288.435 2.054 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(Cc2ccccc2)CC1)C1CC1 ZINC000568383937 395556783 /nfs/dbraw/zinc/55/67/83/395556783.db2.gz PFWWQNYIBIOKCE-KRWDZBQOSA-N 2 1 288.435 2.054 20 0 CEADMP C[C@H](C[NH2+]Cc1ccnn1C1CCCC1)C[NH+](C)C ZINC000451173697 395587245 /nfs/dbraw/zinc/58/72/45/395587245.db2.gz SSIFYGUNCSSKGH-CYBMUJFWSA-N 2 1 264.417 2.286 20 0 CEADMP COC[C@]1(C)CC[N@@H+](CCC[NH+]2CC[C@](C)(COC)C2)C1 ZINC000451203447 395594484 /nfs/dbraw/zinc/59/44/84/395594484.db2.gz QFFKEVISEXCCBB-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP COC[C@]1(C)CC[NH+](CCC[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000451203447 395594485 /nfs/dbraw/zinc/59/44/85/395594485.db2.gz QFFKEVISEXCCBB-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP COC[C@]1(C)CC[NH+](CCC[N@H+]2CC[C@](C)(COC)C2)C1 ZINC000451203447 395594486 /nfs/dbraw/zinc/59/44/86/395594486.db2.gz QFFKEVISEXCCBB-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP CO[C@]1(C)CCC[N@H+](CCCc2c[nH+]cn2C)CC1 ZINC000573978488 395623679 /nfs/dbraw/zinc/62/36/79/395623679.db2.gz ASLKDEGMOZMCGW-OAHLLOKOSA-N 2 1 265.401 2.244 20 0 CEADMP CO[C@]1(C)CCC[N@@H+](CCCc2c[nH+]cn2C)CC1 ZINC000573978488 395623681 /nfs/dbraw/zinc/62/36/81/395623681.db2.gz ASLKDEGMOZMCGW-OAHLLOKOSA-N 2 1 265.401 2.244 20 0 CEADMP O[C@@H]1CC[C@H]2C[N@H+](CCC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000451705791 395624506 /nfs/dbraw/zinc/62/45/06/395624506.db2.gz ZIIYAEAMLYAWLP-IXDOHACOSA-N 2 1 280.456 2.345 20 0 CEADMP O[C@@H]1CC[C@H]2C[N@@H+](CCC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000451705791 395624507 /nfs/dbraw/zinc/62/45/07/395624507.db2.gz ZIIYAEAMLYAWLP-IXDOHACOSA-N 2 1 280.456 2.345 20 0 CEADMP CC(C)[NH+]1CCC(C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000457209084 395635168 /nfs/dbraw/zinc/63/51/68/395635168.db2.gz UVUCIYLSVMPSJP-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000647360534 395709193 /nfs/dbraw/zinc/70/91/93/395709193.db2.gz WCCVPEJJJRPCJL-YHQUGGNUSA-N 2 1 254.443 2.343 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccnn2-c2ccccc2)CC[C@H]1[NH3+] ZINC000647497300 395721528 /nfs/dbraw/zinc/72/15/28/395721528.db2.gz CCIHIXIEFCROFX-RHSMWYFYSA-N 2 1 284.407 2.432 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccnn2-c2ccccc2)CC[C@H]1[NH3+] ZINC000647497300 395721529 /nfs/dbraw/zinc/72/15/29/395721529.db2.gz CCIHIXIEFCROFX-RHSMWYFYSA-N 2 1 284.407 2.432 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)o1 ZINC000647496363 395721577 /nfs/dbraw/zinc/72/15/77/395721577.db2.gz YUWNXTZYDCAKCA-SMDDNHRTSA-N 2 1 288.395 2.158 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)o1 ZINC000647496363 395721578 /nfs/dbraw/zinc/72/15/78/395721578.db2.gz YUWNXTZYDCAKCA-SMDDNHRTSA-N 2 1 288.395 2.158 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647496535 395721730 /nfs/dbraw/zinc/72/17/30/395721730.db2.gz ROBKNEYZUBSXNX-DOMZBBRYSA-N 2 1 255.365 2.404 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c1C ZINC000647498744 395722208 /nfs/dbraw/zinc/72/22/08/395722208.db2.gz PHBBCXKIYLEKPG-GDBMZVCRSA-N 2 1 278.444 2.469 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c1C ZINC000647498744 395722211 /nfs/dbraw/zinc/72/22/11/395722211.db2.gz PHBBCXKIYLEKPG-GDBMZVCRSA-N 2 1 278.444 2.469 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cccc3c2OCCO3)CC[C@H]1[NH3+] ZINC000647498319 395722525 /nfs/dbraw/zinc/72/25/25/395722525.db2.gz FDXLNSNJUYNYMJ-GXTWGEPZSA-N 2 1 276.380 2.017 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc3c2OCCO3)CC[C@H]1[NH3+] ZINC000647498319 395722527 /nfs/dbraw/zinc/72/25/27/395722527.db2.gz FDXLNSNJUYNYMJ-GXTWGEPZSA-N 2 1 276.380 2.017 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnc2ccccn12 ZINC000647506145 395723284 /nfs/dbraw/zinc/72/32/84/395723284.db2.gz KTZWTQBDOJXZAE-CQSZACIVSA-N 2 1 260.385 2.140 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnc2ccccn12 ZINC000647506145 395723285 /nfs/dbraw/zinc/72/32/85/395723285.db2.gz KTZWTQBDOJXZAE-CQSZACIVSA-N 2 1 260.385 2.140 20 0 CEADMP c1cc2cnccc2c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000647542428 395730681 /nfs/dbraw/zinc/73/06/81/395730681.db2.gz HKFVMUQWDBILTL-RDJZCZTQSA-N 2 1 267.376 2.419 20 0 CEADMP [NH3+]Cc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)cc1 ZINC000647553094 395734197 /nfs/dbraw/zinc/73/41/97/395734197.db2.gz ATOQNLCIWYEETP-UHFFFAOYSA-N 2 1 273.405 2.380 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647786399 395754468 /nfs/dbraw/zinc/75/44/68/395754468.db2.gz OIXOGQOJPNBTLV-QBPKDAKJSA-N 3 1 279.472 2.085 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647789524 395754680 /nfs/dbraw/zinc/75/46/80/395754680.db2.gz GXFNTCGMBHBQBA-OXODIDRGSA-N 3 1 293.499 2.331 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647789524 395754683 /nfs/dbraw/zinc/75/46/83/395754683.db2.gz GXFNTCGMBHBQBA-OXODIDRGSA-N 3 1 293.499 2.331 20 0 CEADMP FC1(F)Oc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2O1 ZINC000647800702 395757373 /nfs/dbraw/zinc/75/73/73/395757373.db2.gz JGEFFEANVYVUEO-FOSCPWQOSA-N 2 1 296.317 2.381 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCC[C@H]2CC)CC[C@H]1[NH3+] ZINC000647940301 395781032 /nfs/dbraw/zinc/78/10/32/395781032.db2.gz SNORTXGQKMFVTB-KLHDSHLOSA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCC[C@H]2CC)CC[C@H]1[NH3+] ZINC000647940301 395781034 /nfs/dbraw/zinc/78/10/34/395781034.db2.gz SNORTXGQKMFVTB-KLHDSHLOSA-N 2 1 295.471 2.225 20 0 CEADMP COc1cccc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000647955054 395783753 /nfs/dbraw/zinc/78/37/53/395783753.db2.gz MUVLHYCQDUWFMC-KRWDZBQOSA-N 2 1 290.407 2.150 20 0 CEADMP COc1cccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000647955054 395783757 /nfs/dbraw/zinc/78/37/57/395783757.db2.gz MUVLHYCQDUWFMC-KRWDZBQOSA-N 2 1 290.407 2.150 20 0 CEADMP Cc1cccc2nc(CC[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)cn21 ZINC000647804268 395758438 /nfs/dbraw/zinc/75/84/38/395758438.db2.gz NFPWAHNWBGRCPO-HOCLYGCPSA-N 2 1 286.423 2.305 20 0 CEADMP CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+])c1ccccc1 ZINC000647849226 395763262 /nfs/dbraw/zinc/76/32/62/395763262.db2.gz LYFRSBSYCUKQMM-ZBFHGGJFSA-N 2 1 291.439 2.313 20 0 CEADMP CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+])c1ccccc1 ZINC000647849226 395763263 /nfs/dbraw/zinc/76/32/63/395763263.db2.gz LYFRSBSYCUKQMM-ZBFHGGJFSA-N 2 1 291.439 2.313 20 0 CEADMP COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647873495 395766737 /nfs/dbraw/zinc/76/67/37/395766737.db2.gz PZOWMOCOEMIVEM-CZUORRHYSA-N 2 1 290.407 2.450 20 0 CEADMP COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647873495 395766740 /nfs/dbraw/zinc/76/67/40/395766740.db2.gz PZOWMOCOEMIVEM-CZUORRHYSA-N 2 1 290.407 2.450 20 0 CEADMP COc1ncncc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000648010596 395803987 /nfs/dbraw/zinc/80/39/87/395803987.db2.gz JYVCYOXQEUXQOH-UHFFFAOYSA-N 2 1 292.427 2.039 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)no1 ZINC000647975463 395793747 /nfs/dbraw/zinc/79/37/47/395793747.db2.gz ARJZXYVRHSHCNS-KGLIPLIRSA-N 2 1 263.385 2.195 20 0 CEADMP COCCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978606 395794163 /nfs/dbraw/zinc/79/41/63/395794163.db2.gz VNOOFNQAUPDFIT-HUUCEWRRSA-N 2 1 254.418 2.125 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C1CC[NH2+]CC1 ZINC000647978329 395794176 /nfs/dbraw/zinc/79/41/76/395794176.db2.gz PZEMMLWLKOCDRB-SJORKVTESA-N 3 1 279.472 2.088 20 0 CEADMP CCCCNC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978348 395794283 /nfs/dbraw/zinc/79/42/83/395794283.db2.gz QFNJRYITEWCAPD-HZPDHXFCSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@H](c1cnccn1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977814 395794405 /nfs/dbraw/zinc/79/44/05/395794405.db2.gz ICGBLLDCVIZXON-ILXRZTDVSA-N 2 1 274.412 2.249 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000648583344 395932571 /nfs/dbraw/zinc/93/25/71/395932571.db2.gz LPBJMTKUDQRITP-KKUMJFAQSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000648583344 395932573 /nfs/dbraw/zinc/93/25/73/395932573.db2.gz LPBJMTKUDQRITP-KKUMJFAQSA-N 2 1 254.418 2.408 20 0 CEADMP CCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]1CC[N@@H+](C)C1 ZINC000649000444 396039671 /nfs/dbraw/zinc/03/96/71/396039671.db2.gz VYMODXCJEIKEPV-GJZGRUSLSA-N 2 1 283.460 2.050 20 0 CEADMP CC[C@](C)([NH2+]C[C@@H]1CC[NH2+]C1)c1nc(C)cs1 ZINC000649414714 396148091 /nfs/dbraw/zinc/14/80/91/396148091.db2.gz SIRWACRLEIQDBG-YPMHNXCESA-N 2 1 253.415 2.276 20 0 CEADMP CC[C@@H]1COC(C)(C)C[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000649717144 396237697 /nfs/dbraw/zinc/23/76/97/396237697.db2.gz XOKWUSZGELWKIB-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1COC(C)(C)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000649717144 396237700 /nfs/dbraw/zinc/23/77/00/396237700.db2.gz XOKWUSZGELWKIB-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1COC(C)(C)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000649717144 396237703 /nfs/dbraw/zinc/23/77/03/396237703.db2.gz XOKWUSZGELWKIB-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@@H]1COC(C)(C)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000649717144 396237706 /nfs/dbraw/zinc/23/77/06/396237706.db2.gz XOKWUSZGELWKIB-KGLIPLIRSA-N 2 1 254.418 2.360 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CCC[NH3+])cc1)C(C)C ZINC000646783138 396381345 /nfs/dbraw/zinc/38/13/45/396381345.db2.gz QHXLAIMQUAUGQK-UHFFFAOYSA-N 2 1 291.439 2.338 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)N1CCC(C)([NH3+])CC1)c1ccccc1 ZINC000646993491 396399990 /nfs/dbraw/zinc/39/99/90/396399990.db2.gz YUPZJFLCKQQVIG-HNNXBMFYSA-N 2 1 289.423 2.019 20 0 CEADMP CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000647243331 396448204 /nfs/dbraw/zinc/44/82/04/396448204.db2.gz IMDHHXRMENIADX-OCCSQVGLSA-N 2 1 265.401 2.034 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CO1 ZINC000647249100 396449707 /nfs/dbraw/zinc/44/97/07/396449707.db2.gz BEABGZLARYIBKA-SVGFKBNWSA-N 2 1 274.408 2.099 20 0 CEADMP C[C@@H]1SCC[C@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000647258763 396452152 /nfs/dbraw/zinc/45/21/52/396452152.db2.gz RRGWNYATIVIOAS-CMPLNLGQSA-N 2 1 251.399 2.131 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nc1 ZINC000334866580 292099931 /nfs/dbraw/zinc/09/99/31/292099931.db2.gz BIUPGHFXCKLIEU-GDBMZVCRSA-N 2 1 259.397 2.354 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000335518444 296576944 /nfs/dbraw/zinc/57/69/44/296576944.db2.gz NFTRHUINQFTQNX-RHSMWYFYSA-N 3 1 279.472 2.371 20 0 CEADMP CCCCOCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000049264111 400226639 /nfs/dbraw/zinc/22/66/39/400226639.db2.gz ZBNRRITWLOFTLU-GJZGRUSLSA-N 2 1 254.418 2.267 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccccc1 ZINC000389137380 400537168 /nfs/dbraw/zinc/53/71/68/400537168.db2.gz UQOUSEWNWQLXPZ-GDBMZVCRSA-N 2 1 264.413 2.381 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccccc1 ZINC000389137380 400537170 /nfs/dbraw/zinc/53/71/70/400537170.db2.gz UQOUSEWNWQLXPZ-GDBMZVCRSA-N 2 1 264.413 2.381 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1ccccc1 ZINC000389137380 400537171 /nfs/dbraw/zinc/53/71/71/400537171.db2.gz UQOUSEWNWQLXPZ-GDBMZVCRSA-N 2 1 264.413 2.381 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000389137380 400537173 /nfs/dbraw/zinc/53/71/73/400537173.db2.gz UQOUSEWNWQLXPZ-GDBMZVCRSA-N 2 1 264.413 2.381 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2ccc(C[NH3+])cc2F)[C@H](C)C1 ZINC000650717985 401008497 /nfs/dbraw/zinc/00/84/97/401008497.db2.gz SVYSZNNRWZLRDU-WBMJQRKESA-N 2 1 279.403 2.104 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)nc1 ZINC000650722899 401011793 /nfs/dbraw/zinc/01/17/93/401011793.db2.gz DHFXVKUOLVXFNL-UAGQMJEPSA-N 2 1 289.423 2.251 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000650740908 401016470 /nfs/dbraw/zinc/01/64/70/401016470.db2.gz UGECWSHQXBMQHQ-GJZGRUSLSA-N 2 1 255.450 2.214 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650754302 401031725 /nfs/dbraw/zinc/03/17/25/401031725.db2.gz GDBXBTDMRQXBAY-SECBINFHSA-N 2 1 262.332 2.167 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000359959212 155179834 /nfs/dbraw/zinc/17/98/34/155179834.db2.gz QGDCFKLUJVJBOL-HZPDHXFCSA-N 2 1 288.439 2.254 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000359959212 155179836 /nfs/dbraw/zinc/17/98/36/155179836.db2.gz QGDCFKLUJVJBOL-HZPDHXFCSA-N 2 1 288.439 2.254 20 0 CEADMP CC[C@@]1(C)CCC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000651686038 401371964 /nfs/dbraw/zinc/37/19/64/401371964.db2.gz NPRSOLMUUWBNBF-CVEARBPZSA-N 2 1 268.445 2.392 20 0 CEADMP CC[N@@H+](CCC[NH2+][C@H](C)CC(=O)N(C)C)C1CCCCC1 ZINC000651910301 401414383 /nfs/dbraw/zinc/41/43/83/401414383.db2.gz OQAQMKFIBHWKOZ-OAHLLOKOSA-N 2 1 297.487 2.488 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)CCn1cccn1 ZINC000651865715 401405929 /nfs/dbraw/zinc/40/59/29/401405929.db2.gz FONQQVXCMOXSIO-OAHLLOKOSA-N 2 1 266.433 2.229 20 0 CEADMP COc1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)cc1O ZINC000651866916 401406713 /nfs/dbraw/zinc/40/67/13/401406713.db2.gz VZTZCDFVGYDHOV-UHFFFAOYSA-N 2 1 280.412 2.468 20 0 CEADMP COc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)cc1O ZINC000651866916 401406715 /nfs/dbraw/zinc/40/67/15/401406715.db2.gz VZTZCDFVGYDHOV-UHFFFAOYSA-N 2 1 280.412 2.468 20 0 CEADMP CC[N@@H+](CCCNC(=O)N[C@H](C)CC[NH3+])C1CCCCC1 ZINC000652211735 401464874 /nfs/dbraw/zinc/46/48/74/401464874.db2.gz JKEBGBYVFADWAA-CQSZACIVSA-N 2 1 298.475 2.068 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000652222614 401466892 /nfs/dbraw/zinc/46/68/92/401466892.db2.gz SVYHKKMGYROPGO-HNNXBMFYSA-N 2 1 278.444 2.365 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000652222614 401466894 /nfs/dbraw/zinc/46/68/94/401466894.db2.gz SVYHKKMGYROPGO-HNNXBMFYSA-N 2 1 278.444 2.365 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1oc2c(cccc2C)c1C ZINC000652358432 401493184 /nfs/dbraw/zinc/49/31/84/401493184.db2.gz CSNQVPJBVANNSA-KRWDZBQOSA-N 2 1 290.407 2.452 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1oc2c(cccc2C)c1C ZINC000652358432 401493186 /nfs/dbraw/zinc/49/31/86/401493186.db2.gz CSNQVPJBVANNSA-KRWDZBQOSA-N 2 1 290.407 2.452 20 0 CEADMP COCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363153 401495481 /nfs/dbraw/zinc/49/54/81/401495481.db2.gz YZNQDDTUKJNQAX-OAGGEKHMSA-N 2 1 284.444 2.164 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCN(C)C(=O)OC(C)(C)C ZINC000158654798 289237476 /nfs/dbraw/zinc/23/74/76/289237476.db2.gz VRDSVBKGHNXIRF-RDBSUJKOSA-N 2 1 299.459 2.172 20 0 CEADMP C[NH+]1CCC([NH2+]CCc2ccc3ccccc3n2)CC1 ZINC000360156881 155230481 /nfs/dbraw/zinc/23/04/81/155230481.db2.gz RQESKQMFENNVHC-UHFFFAOYSA-N 2 1 269.392 2.461 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cnn(C)c1 ZINC000360496997 155314133 /nfs/dbraw/zinc/31/41/33/155314133.db2.gz XAJHVFIRQATAFT-LBPRGKRZSA-N 2 1 262.401 2.088 20 0 CEADMP Cc1cc([C@H]2CCC[N@@H+](CCCn3ccnc3C)C2)[nH]n1 ZINC000360603757 155336302 /nfs/dbraw/zinc/33/63/02/155336302.db2.gz DNNMQOXXTNUALD-HNNXBMFYSA-N 2 1 287.411 2.493 20 0 CEADMP C[N@H+]1C[C@@H]2CN(Cc3cc[nH]n3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360792221 155372119 /nfs/dbraw/zinc/37/21/19/155372119.db2.gz UIMRPXHKNKFPJR-PVAVHDDUSA-N 2 1 282.391 2.144 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)O1 ZINC000188556916 153062424 /nfs/dbraw/zinc/06/24/24/153062424.db2.gz SZWPRSCKBXFFES-ILXRZTDVSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1CC[C@@H](C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)O1 ZINC000188556916 153062425 /nfs/dbraw/zinc/06/24/25/153062425.db2.gz SZWPRSCKBXFFES-ILXRZTDVSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)O1 ZINC000188556916 153062427 /nfs/dbraw/zinc/06/24/27/153062427.db2.gz SZWPRSCKBXFFES-ILXRZTDVSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)O1 ZINC000188556916 153062431 /nfs/dbraw/zinc/06/24/31/153062431.db2.gz SZWPRSCKBXFFES-ILXRZTDVSA-N 2 1 254.418 2.360 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C)O2)[C@H](C)C1 ZINC000191129667 153162465 /nfs/dbraw/zinc/16/24/65/153162465.db2.gz FCRDIEREUDLCPQ-QZWWFDLISA-N 2 1 298.471 2.281 20 0 CEADMP Cn1nccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192920402 153225250 /nfs/dbraw/zinc/22/52/50/153225250.db2.gz LLEXCDARBFQQGR-INIZCTEOSA-N 2 1 284.407 2.032 20 0 CEADMP Cn1nccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192920402 153225254 /nfs/dbraw/zinc/22/52/54/153225254.db2.gz LLEXCDARBFQQGR-INIZCTEOSA-N 2 1 284.407 2.032 20 0 CEADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nccs1 ZINC000193284992 153231913 /nfs/dbraw/zinc/23/19/13/153231913.db2.gz UITIZBGSRDOQRT-ODWCKFRGSA-N 2 1 265.426 2.461 20 0 CEADMP C1=CO[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000193992362 153246162 /nfs/dbraw/zinc/24/61/62/153246162.db2.gz DATMNGJQTFHAJF-CABCVRRESA-N 2 1 250.386 2.097 20 0 CEADMP C=Cn1cc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cn1 ZINC000194590264 153262064 /nfs/dbraw/zinc/26/20/64/153262064.db2.gz VIQKPVBNMHNYED-CQSZACIVSA-N 2 1 285.395 2.172 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)OC)[C@@H](C)C1 ZINC000360835663 155385119 /nfs/dbraw/zinc/38/51/19/155385119.db2.gz LDGVJMUNUKXJHK-JYJNAYRXSA-N 2 1 286.460 2.138 20 0 CEADMP CC(C)[C@H](C[NH2+]C[C@H]1CCSC1)[NH+]1CCCC1 ZINC000224307598 153320001 /nfs/dbraw/zinc/32/00/01/153320001.db2.gz ZHRHUUUSQJDTSH-KGLIPLIRSA-N 2 1 256.459 2.450 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245947918 153523315 /nfs/dbraw/zinc/52/33/15/153523315.db2.gz KROXBVBANQYTTP-BZUAXINKSA-N 2 1 278.444 2.372 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000245947918 153523320 /nfs/dbraw/zinc/52/33/20/153523320.db2.gz KROXBVBANQYTTP-BZUAXINKSA-N 2 1 278.444 2.372 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCOCC(F)(F)F)CC1 ZINC000377297328 289373310 /nfs/dbraw/zinc/37/33/10/289373310.db2.gz JTSGLGBBFMDDOD-LBPRGKRZSA-N 2 1 282.350 2.372 20 0 CEADMP Cc1ccccc1NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261770361 153836612 /nfs/dbraw/zinc/83/66/12/153836612.db2.gz VZLUTEBQOQNIGA-UHFFFAOYSA-N 2 1 287.407 2.009 20 0 CEADMP CCc1ncc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)s1 ZINC000336480333 154255729 /nfs/dbraw/zinc/25/57/29/154255729.db2.gz JOQULZJGFLCQFS-WCQYABFASA-N 2 1 265.426 2.232 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)C[C@@H]21 ZINC000346816833 154299746 /nfs/dbraw/zinc/29/97/46/154299746.db2.gz BAAAYTGSQFNVHC-SOUVJXGZSA-N 2 1 270.380 2.122 20 0 CEADMP COc1cccc([C@@H](C)[NH+]2CCN(CC(C)(C)[NH3+])CC2)c1 ZINC000346815664 154301133 /nfs/dbraw/zinc/30/11/33/154301133.db2.gz DHZVOSQVYNRCKU-CQSZACIVSA-N 2 1 291.439 2.111 20 0 CEADMP C[C@H](c1nc2ccccc2s1)[N@H+](C)CCOCC[NH3+] ZINC000357076706 154371812 /nfs/dbraw/zinc/37/18/12/154371812.db2.gz PELBBUAKBYSIEJ-LLVKDONJSA-N 2 1 279.409 2.264 20 0 CEADMP C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCOCC[NH3+] ZINC000357076706 154371819 /nfs/dbraw/zinc/37/18/19/154371819.db2.gz PELBBUAKBYSIEJ-LLVKDONJSA-N 2 1 279.409 2.264 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000357071597 154372552 /nfs/dbraw/zinc/37/25/52/154372552.db2.gz JVKOHTWOCARJMI-MRXNPFEDSA-N 2 1 262.397 2.059 20 0 CEADMP c1ccc(CSCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357121886 154382978 /nfs/dbraw/zinc/38/29/78/154382978.db2.gz QFMCXGSUIMOXAU-CVEARBPZSA-N 2 1 276.449 2.461 20 0 CEADMP c1ccc(CSCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357121886 154382983 /nfs/dbraw/zinc/38/29/83/154382983.db2.gz QFMCXGSUIMOXAU-CVEARBPZSA-N 2 1 276.449 2.461 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366956559 156109772 /nfs/dbraw/zinc/10/97/72/156109772.db2.gz URINRRNLDXXAMF-UHFFFAOYSA-N 2 1 290.455 2.345 20 0 CEADMP CC(C)COCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367217088 156151657 /nfs/dbraw/zinc/15/16/57/156151657.db2.gz JOBQCVVCCMWQLT-YIONKMFJSA-N 2 1 254.418 2.216 20 0 CEADMP CC(C)COCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367217088 156151659 /nfs/dbraw/zinc/15/16/59/156151659.db2.gz JOBQCVVCCMWQLT-YIONKMFJSA-N 2 1 254.418 2.216 20 0 CEADMP CC(C)COCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367217088 156151660 /nfs/dbraw/zinc/15/16/60/156151660.db2.gz JOBQCVVCCMWQLT-YIONKMFJSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@H](O)c1ncc(C[N@@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000367306822 156161756 /nfs/dbraw/zinc/16/17/56/156161756.db2.gz AWHSAWYWUBYAME-LBPRGKRZSA-N 2 1 295.452 2.257 20 0 CEADMP C[C@H](O)c1ncc(C[N@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000367306822 156161758 /nfs/dbraw/zinc/16/17/58/156161758.db2.gz AWHSAWYWUBYAME-LBPRGKRZSA-N 2 1 295.452 2.257 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCCF)CCN1C1CC[NH+](C)CC1 ZINC000367460012 156194784 /nfs/dbraw/zinc/19/47/84/156194784.db2.gz XTFZZKBZXSVEBP-OAHLLOKOSA-N 2 1 285.451 2.227 20 0 CEADMP Cc1nccn1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367599617 156213544 /nfs/dbraw/zinc/21/35/44/156213544.db2.gz XCUPMSSCEWRJDM-ARFHVFGLSA-N 2 1 276.428 2.044 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367599617 156213545 /nfs/dbraw/zinc/21/35/45/156213545.db2.gz XCUPMSSCEWRJDM-ARFHVFGLSA-N 3 1 276.428 2.044 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367599617 156213548 /nfs/dbraw/zinc/21/35/48/156213548.db2.gz XCUPMSSCEWRJDM-ARFHVFGLSA-N 3 1 276.428 2.044 20 0 CEADMP Cc1nccn1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367599619 156215574 /nfs/dbraw/zinc/21/55/74/156215574.db2.gz XCUPMSSCEWRJDM-OAGGEKHMSA-N 2 1 276.428 2.044 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367599619 156215575 /nfs/dbraw/zinc/21/55/75/156215575.db2.gz XCUPMSSCEWRJDM-OAGGEKHMSA-N 3 1 276.428 2.044 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367599619 156215576 /nfs/dbraw/zinc/21/55/76/156215576.db2.gz XCUPMSSCEWRJDM-OAGGEKHMSA-N 3 1 276.428 2.044 20 0 CEADMP C[NH+]1CCN(C[C@H]2CCC[N@H+]([C@H]3C=CCCC3)C2)CC1 ZINC000367623185 156218637 /nfs/dbraw/zinc/21/86/37/156218637.db2.gz MTZAWEYABYMQNO-SJORKVTESA-N 2 1 277.456 2.055 20 0 CEADMP C[C@@H]1CCOCC[NH+]1CCCCC[N@@H+]1CCOCC[C@H]1C ZINC000367667924 156222311 /nfs/dbraw/zinc/22/23/11/156222311.db2.gz XNNPDOPSGPQRBL-IAGOWNOFSA-N 2 1 298.471 2.378 20 0 CEADMP CN(C)c1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367755177 156234324 /nfs/dbraw/zinc/23/43/24/156234324.db2.gz OACCZKDJNZMKIK-XHSDSOJGSA-N 2 1 288.439 2.110 20 0 CEADMP C[N@H+]1CCCC12CCN(CCC[NH+]1CCCCC1)CC2 ZINC000368418183 156340121 /nfs/dbraw/zinc/34/01/21/156340121.db2.gz CTUWCNATFWAOFJ-UHFFFAOYSA-N 2 1 279.472 2.423 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1C ZINC000375031052 157041774 /nfs/dbraw/zinc/04/17/74/157041774.db2.gz MWPUKKKEEUOKDT-HOCLYGCPSA-N 2 1 289.423 2.233 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1C ZINC000375031052 157041776 /nfs/dbraw/zinc/04/17/76/157041776.db2.gz MWPUKKKEEUOKDT-HOCLYGCPSA-N 2 1 289.423 2.233 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000375197216 157062909 /nfs/dbraw/zinc/06/29/09/157062909.db2.gz KRECUWDQVGSFHS-UHFFFAOYSA-N 2 1 299.422 2.189 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(c2ccccn2)CC1 ZINC000375197216 157062914 /nfs/dbraw/zinc/06/29/14/157062914.db2.gz KRECUWDQVGSFHS-UHFFFAOYSA-N 2 1 299.422 2.189 20 0 CEADMP COC(C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C)OC ZINC000375966650 157170728 /nfs/dbraw/zinc/17/07/28/157170728.db2.gz BXOCGZYTKQXUKE-CYBMUJFWSA-N 2 1 281.400 2.090 20 0 CEADMP COC(C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C)OC ZINC000375966650 157170732 /nfs/dbraw/zinc/17/07/32/157170732.db2.gz BXOCGZYTKQXUKE-CYBMUJFWSA-N 2 1 281.400 2.090 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C2CC2)CC1 ZINC000177398178 165196450 /nfs/dbraw/zinc/19/64/50/165196450.db2.gz RCTLFNQPINZQTJ-ZDUSSCGKSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1nc(C)c([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)s1 ZINC000178521574 165245715 /nfs/dbraw/zinc/24/57/15/165245715.db2.gz WWBQFWWVXIVBFE-NSHDSACASA-N 2 1 297.468 2.257 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cnn(C)c1 ZINC000180406206 165310221 /nfs/dbraw/zinc/31/02/21/165310221.db2.gz AUXMTXREBDQESD-OAHLLOKOSA-N 2 1 264.417 2.334 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000181519059 165348431 /nfs/dbraw/zinc/34/84/31/165348431.db2.gz XCMBUKFRHRBZDL-ARFHVFGLSA-N 2 1 268.445 2.369 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000360723670 165555762 /nfs/dbraw/zinc/55/57/62/165555762.db2.gz VKIVDPBZBMPQPI-HUUCEWRRSA-N 2 1 265.401 2.375 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)cc2)CC1 ZINC000020189772 171055680 /nfs/dbraw/zinc/05/56/80/171055680.db2.gz OLXWMHXSLSHENX-UHFFFAOYSA-N 2 1 290.407 2.437 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000022212934 171374438 /nfs/dbraw/zinc/37/44/38/171374438.db2.gz IGPHGRUPDYXYJA-UHFFFAOYSA-N 2 1 272.352 2.069 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285535485 196318374 /nfs/dbraw/zinc/31/83/74/196318374.db2.gz HRONWNJWRWCQRV-UHFFFAOYSA-N 2 1 285.395 2.104 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285535485 196318376 /nfs/dbraw/zinc/31/83/76/196318376.db2.gz HRONWNJWRWCQRV-UHFFFAOYSA-N 2 1 285.395 2.104 20 0 CEADMP OC1CCC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000285765029 196391390 /nfs/dbraw/zinc/39/13/90/196391390.db2.gz SLWNQVRHNDSBTL-UHFFFAOYSA-N 2 1 288.435 2.328 20 0 CEADMP OC1CCC([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000285765029 196391392 /nfs/dbraw/zinc/39/13/92/196391392.db2.gz SLWNQVRHNDSBTL-UHFFFAOYSA-N 2 1 288.435 2.328 20 0 CEADMP COc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1F ZINC000037496250 173235565 /nfs/dbraw/zinc/23/55/65/173235565.db2.gz RLMMTHICRZJXAH-UHFFFAOYSA-N 2 1 266.360 2.410 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000038098204 174113391 /nfs/dbraw/zinc/11/33/91/174113391.db2.gz LBAPLQPSGCIJMZ-UHFFFAOYSA-N 2 1 293.377 2.087 20 0 CEADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@H]1CCCCO1 ZINC000653873974 414766593 /nfs/dbraw/zinc/76/65/93/414766593.db2.gz YXSBWZUJZDOZJN-HUUCEWRRSA-N 2 1 265.401 2.290 20 0 CEADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)[C@@H]1C[NH3+] ZINC000070177737 414768879 /nfs/dbraw/zinc/76/88/79/414768879.db2.gz JBHIROHWBIIOGN-IUODEOHRSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)[C@@H]1C[NH3+] ZINC000070177737 414768884 /nfs/dbraw/zinc/76/88/84/414768884.db2.gz JBHIROHWBIIOGN-IUODEOHRSA-N 2 1 293.386 2.214 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]CC[N@H+](C)C2CCCC2)CCO1 ZINC000070362056 414770396 /nfs/dbraw/zinc/77/03/96/414770396.db2.gz RJYUVGZPHNRVCJ-UKRRQHHQSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)CCO1 ZINC000070362056 414770400 /nfs/dbraw/zinc/77/04/00/414770400.db2.gz RJYUVGZPHNRVCJ-UKRRQHHQSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000404371162 414782103 /nfs/dbraw/zinc/78/21/03/414782103.db2.gz IYLIKYJDVYCYHJ-ZWNOBZJWSA-N 2 1 253.415 2.401 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCC1 ZINC000652756775 414782372 /nfs/dbraw/zinc/78/23/72/414782372.db2.gz SOOBJRXDJAFJBT-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC000652756775 414782377 /nfs/dbraw/zinc/78/23/77/414782377.db2.gz SOOBJRXDJAFJBT-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC000652756775 414782379 /nfs/dbraw/zinc/78/23/79/414782379.db2.gz SOOBJRXDJAFJBT-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000404400793 414782990 /nfs/dbraw/zinc/78/29/90/414782990.db2.gz QYOMVSFCIRQJRD-GOEBONIOSA-N 2 1 289.423 2.383 20 0 CEADMP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000404400793 414782997 /nfs/dbraw/zinc/78/29/97/414782997.db2.gz QYOMVSFCIRQJRD-GOEBONIOSA-N 2 1 289.423 2.383 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCOCC(F)(F)F)[C@@H]1CC[NH3+] ZINC000404385469 414784012 /nfs/dbraw/zinc/78/40/12/414784012.db2.gz WAICBRYPSKFGNK-NWDGAFQWSA-N 2 1 282.350 2.405 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662877274 414784829 /nfs/dbraw/zinc/78/48/29/414784829.db2.gz HOUREXHCNQQBNZ-AWEZNQCLSA-N 2 1 295.471 2.275 20 0 CEADMP CCCn1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cn1 ZINC000404490452 414786858 /nfs/dbraw/zinc/78/68/58/414786858.db2.gz AMRRCBCGVVLAIF-UKRRQHHQSA-N 2 1 264.417 2.242 20 0 CEADMP CC(C)O[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000404504790 414786881 /nfs/dbraw/zinc/78/68/81/414786881.db2.gz AWLGHAJOHULAIH-KFWWJZLASA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401000091 414748744 /nfs/dbraw/zinc/74/87/44/414748744.db2.gz AZQBSFSMPMRAEH-YYIAUSFCSA-N 3 1 279.472 2.229 20 0 CEADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)([NH+](C)C)C1 ZINC000401122823 414749720 /nfs/dbraw/zinc/74/97/20/414749720.db2.gz KFWFXNNORHKPOF-ZKXLYKBJSA-N 3 1 293.499 2.475 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662894307 414795024 /nfs/dbraw/zinc/79/50/24/414795024.db2.gz VRZGKCPNYXWQKC-LVQVYYBASA-N 2 1 295.471 2.225 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccc(C)c(C)c2)C[C@H]1C[NH3+] ZINC000405740023 414796689 /nfs/dbraw/zinc/79/66/89/414796689.db2.gz ZACCJRDHLMKBKF-HZPDHXFCSA-N 2 1 262.397 2.099 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccc(OC(C)C)cc2)C[C@H]1C[NH3+] ZINC000405609107 414797255 /nfs/dbraw/zinc/79/72/55/414797255.db2.gz RUZUYFMQLLFFHC-NVXWUHKLSA-N 2 1 292.423 2.269 20 0 CEADMP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000131691449 414819182 /nfs/dbraw/zinc/81/91/82/414819182.db2.gz KCWUSRQXXJGTCR-LSDHHAIUSA-N 2 1 262.397 2.351 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)C1=CCCC1)C1CC1 ZINC000308769506 414853674 /nfs/dbraw/zinc/85/36/74/414853674.db2.gz YKWUVEQNTBTPPG-HNNXBMFYSA-N 2 1 266.429 2.168 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)C1=CCCC1)C1CC1 ZINC000308769506 414853680 /nfs/dbraw/zinc/85/36/80/414853680.db2.gz YKWUVEQNTBTPPG-HNNXBMFYSA-N 2 1 266.429 2.168 20 0 CEADMP CC[C@H]1C[N@H+](Cc2c(C)nn(CC)c2C)CC[C@H]1[NH3+] ZINC000307977261 414854369 /nfs/dbraw/zinc/85/43/69/414854369.db2.gz XWHGNFJJISGGIW-DZGCQCFKSA-N 2 1 264.417 2.079 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2c(C)nn(CC)c2C)CC[C@H]1[NH3+] ZINC000307977261 414854376 /nfs/dbraw/zinc/85/43/76/414854376.db2.gz XWHGNFJJISGGIW-DZGCQCFKSA-N 2 1 264.417 2.079 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C12CCCC2 ZINC000660526178 414859213 /nfs/dbraw/zinc/85/92/13/414859213.db2.gz PTOXLLYRXXYEEE-OWCLPIDISA-N 2 1 298.471 2.015 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657325193 414861484 /nfs/dbraw/zinc/86/14/84/414861484.db2.gz LDEMCTVIGOYDCS-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657325193 414861490 /nfs/dbraw/zinc/86/14/90/414861490.db2.gz LDEMCTVIGOYDCS-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP c1nn2c(c1C[NH2+]C1CC[NH+](C3CCCC3)CC1)CCC2 ZINC000657386107 414905567 /nfs/dbraw/zinc/90/55/67/414905567.db2.gz BMXXVNZKGVZEAI-UHFFFAOYSA-N 2 1 288.439 2.326 20 0 CEADMP CC[NH+]1CCN(CCNc2cc[nH+]c3ccsc32)CC1 ZINC000663399216 414943071 /nfs/dbraw/zinc/94/30/71/414943071.db2.gz VHHMYJISRLZFJW-UHFFFAOYSA-N 2 1 290.436 2.346 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CO1 ZINC000663343968 414920655 /nfs/dbraw/zinc/92/06/55/414920655.db2.gz LBXSPHYPSJKCGY-OWCLPIDISA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCCN(CCc1ccccn1)C2 ZINC000660657112 414920713 /nfs/dbraw/zinc/92/07/13/414920713.db2.gz VMDKTQURQFLCBM-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1ccccn1)C2 ZINC000660657112 414920716 /nfs/dbraw/zinc/92/07/16/414920716.db2.gz VMDKTQURQFLCBM-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1ccccn1)C2 ZINC000660657112 414920719 /nfs/dbraw/zinc/92/07/19/414920719.db2.gz VMDKTQURQFLCBM-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP c1nc2n(c1C[NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CCC2 ZINC000663344947 414921314 /nfs/dbraw/zinc/92/13/14/414921314.db2.gz ZNUWCDOSRLHOBI-OAHLLOKOSA-N 2 1 288.439 2.041 20 0 CEADMP c1nc2n(c1C[NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000663344947 414921320 /nfs/dbraw/zinc/92/13/20/414921320.db2.gz ZNUWCDOSRLHOBI-OAHLLOKOSA-N 2 1 288.439 2.041 20 0 CEADMP C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663344014 414921898 /nfs/dbraw/zinc/92/18/98/414921898.db2.gz MCMMSCZTQWBIQZ-KZNAEPCWSA-N 2 1 291.483 2.325 20 0 CEADMP C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344014 414921899 /nfs/dbraw/zinc/92/18/99/414921899.db2.gz MCMMSCZTQWBIQZ-KZNAEPCWSA-N 2 1 291.483 2.325 20 0 CEADMP C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344014 414921903 /nfs/dbraw/zinc/92/19/03/414921903.db2.gz MCMMSCZTQWBIQZ-KZNAEPCWSA-N 2 1 291.483 2.325 20 0 CEADMP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663344014 414921905 /nfs/dbraw/zinc/92/19/05/414921905.db2.gz MCMMSCZTQWBIQZ-KZNAEPCWSA-N 3 1 291.483 2.325 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663344014 414921908 /nfs/dbraw/zinc/92/19/08/414921908.db2.gz MCMMSCZTQWBIQZ-KZNAEPCWSA-N 3 1 291.483 2.325 20 0 CEADMP C([NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344014 414921912 /nfs/dbraw/zinc/92/19/12/414921912.db2.gz MCMMSCZTQWBIQZ-KZNAEPCWSA-N 3 1 291.483 2.325 20 0 CEADMP C([NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344014 414921914 /nfs/dbraw/zinc/92/19/14/414921914.db2.gz MCMMSCZTQWBIQZ-KZNAEPCWSA-N 3 1 291.483 2.325 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCCN(CCC[NH+]1CCCCC1)C2 ZINC000660662083 414923318 /nfs/dbraw/zinc/92/33/18/414923318.db2.gz HNMVRJYLKOFPAJ-QGZVFWFLSA-N 2 1 279.472 2.280 20 0 CEADMP c1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccn1 ZINC000663347756 414925019 /nfs/dbraw/zinc/92/50/19/414925019.db2.gz UPCGCDIYYDJOIT-MRXNPFEDSA-N 2 1 259.397 2.293 20 0 CEADMP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccn1 ZINC000663347756 414925024 /nfs/dbraw/zinc/92/50/24/414925024.db2.gz UPCGCDIYYDJOIT-MRXNPFEDSA-N 2 1 259.397 2.293 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657436288 414935816 /nfs/dbraw/zinc/93/58/16/414935816.db2.gz ROBSLQTZKCRAGU-GPANFISMSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657436288 414935820 /nfs/dbraw/zinc/93/58/20/414935820.db2.gz ROBSLQTZKCRAGU-GPANFISMSA-N 2 1 266.429 2.002 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCC(F)(F)CC1 ZINC000660558356 414876986 /nfs/dbraw/zinc/87/69/86/414876986.db2.gz RDXHRIGYSIBZPL-CYBMUJFWSA-N 2 1 278.387 2.197 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CCC(F)(F)CC1 ZINC000660558356 414876993 /nfs/dbraw/zinc/87/69/93/414876993.db2.gz RDXHRIGYSIBZPL-CYBMUJFWSA-N 2 1 278.387 2.197 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000660558356 414876999 /nfs/dbraw/zinc/87/69/99/414876999.db2.gz RDXHRIGYSIBZPL-CYBMUJFWSA-N 2 1 278.387 2.197 20 0 CEADMP CC(C)=CCC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000660559528 414877159 /nfs/dbraw/zinc/87/71/59/414877159.db2.gz DTNRBJFNFYXUFC-UHFFFAOYSA-N 2 1 255.450 2.158 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CO[C@H](CC)C2)[C@H](C)C1 ZINC000657362413 414888478 /nfs/dbraw/zinc/88/84/78/414888478.db2.gz BZIUJDRAVZRWRE-TWMKSMIVSA-N 2 1 298.471 2.281 20 0 CEADMP COc1cc(OC)c(OC)cc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663498081 414971229 /nfs/dbraw/zinc/97/12/29/414971229.db2.gz KPRCDZKRCQBIOM-CYBMUJFWSA-N 2 1 296.411 2.175 20 0 CEADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000663497474 414972031 /nfs/dbraw/zinc/97/20/31/414972031.db2.gz APOALZCYYYTRMR-CYBMUJFWSA-N 2 1 280.803 2.451 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](CC(F)(F)F)C2)CC[NH2+]1 ZINC000663506997 414974852 /nfs/dbraw/zinc/97/48/52/414974852.db2.gz QTLYNGCDYQQFLU-UTUOFQBUSA-N 2 1 280.334 2.028 20 0 CEADMP Cc1nc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)[nH]c1C ZINC000657499297 414977807 /nfs/dbraw/zinc/97/78/07/414977807.db2.gz CLRWWLOXDUXWOJ-SJORKVTESA-N 2 1 298.434 2.462 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCSC2(CCC2)CC1 ZINC000660797377 414978650 /nfs/dbraw/zinc/97/86/50/414978650.db2.gz OQIBYVMUIHLRRB-CQSZACIVSA-N 2 1 286.485 2.049 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCSC2(CCC2)CC1 ZINC000660797377 414978655 /nfs/dbraw/zinc/97/86/55/414978655.db2.gz OQIBYVMUIHLRRB-CQSZACIVSA-N 2 1 286.485 2.049 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCSC2(CCC2)CC1 ZINC000660797377 414978658 /nfs/dbraw/zinc/97/86/58/414978658.db2.gz OQIBYVMUIHLRRB-CQSZACIVSA-N 2 1 286.485 2.049 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCSC2(CCC2)CC1 ZINC000660797377 414978664 /nfs/dbraw/zinc/97/86/64/414978664.db2.gz OQIBYVMUIHLRRB-CQSZACIVSA-N 2 1 286.485 2.049 20 0 CEADMP CCn1nccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000663514918 414979304 /nfs/dbraw/zinc/97/93/04/414979304.db2.gz WCZSKOCKDQSMPG-NVXWUHKLSA-N 2 1 284.407 2.486 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C2CCCC2)C1 ZINC000660833457 414995766 /nfs/dbraw/zinc/99/57/66/414995766.db2.gz RQTAIRMIOYLWIO-JKSUJKDBSA-N 2 1 268.445 2.200 20 0 CEADMP CN(C[C@@H]1CCC[N@@H+](C)C1)c1[nH+]ccc2[nH]ccc21 ZINC000663613742 414998163 /nfs/dbraw/zinc/99/81/63/414998163.db2.gz IXCZFVKTAAUWDB-GFCCVEGCSA-N 2 1 258.369 2.341 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(C)c1[nH+]ccc2[nH]ccc21 ZINC000663682306 415013996 /nfs/dbraw/zinc/01/39/96/415013996.db2.gz UVGNGWUUUFDYMB-LBPRGKRZSA-N 2 1 258.369 2.483 20 0 CEADMP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468277 414962247 /nfs/dbraw/zinc/96/22/47/414962247.db2.gz LHABGSFMZFIRTH-NVXWUHKLSA-N 2 1 290.455 2.373 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CO1 ZINC000663466076 414962702 /nfs/dbraw/zinc/96/27/02/414962702.db2.gz NWYZCFAEAUQERH-HUUCEWRRSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cn[nH]c1 ZINC000663465973 414963102 /nfs/dbraw/zinc/96/31/02/414963102.db2.gz MLGGVFZMAPUPKE-JSGCOSHPSA-N 2 1 262.401 2.182 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cn[nH]c1 ZINC000663465973 414963107 /nfs/dbraw/zinc/96/31/07/414963107.db2.gz MLGGVFZMAPUPKE-JSGCOSHPSA-N 2 1 262.401 2.182 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCCO1 ZINC000663466902 414964275 /nfs/dbraw/zinc/96/42/75/414964275.db2.gz YGBWGBIRMFNVKY-NUEKZKHPSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)c1ccc(OC)cc1 ZINC000653598356 415048660 /nfs/dbraw/zinc/04/86/60/415048660.db2.gz WTXXYWABRPAXFX-ZBFHGGJFSA-N 2 1 280.412 2.049 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1ccc(OC)cc1 ZINC000653598356 415048664 /nfs/dbraw/zinc/04/86/64/415048664.db2.gz WTXXYWABRPAXFX-ZBFHGGJFSA-N 2 1 280.412 2.049 20 0 CEADMP C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CCCc1c[nH+]cn1C ZINC000653618232 415055096 /nfs/dbraw/zinc/05/50/96/415055096.db2.gz WRFUQPYDHYCWLG-YOEHRIQHSA-N 2 1 287.407 2.107 20 0 CEADMP C[C@@H]1C[N@H+](CCN(C)c2[nH+]ccc3[nH]ccc32)C[C@H](C)O1 ZINC000663854098 415070674 /nfs/dbraw/zinc/07/06/74/415070674.db2.gz LPVNYUBOHFYOOA-BETUJISGSA-N 2 1 288.395 2.108 20 0 CEADMP C[C@H](c1ccncc1)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000653688261 415074783 /nfs/dbraw/zinc/07/47/83/415074783.db2.gz QGDYSJZJQGXXLT-HUUCEWRRSA-N 2 1 289.423 2.328 20 0 CEADMP c1ccc(CN2CC[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000657805655 415085738 /nfs/dbraw/zinc/08/57/38/415085738.db2.gz DXKLFCFQNLJYIO-GBESFXJTSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[NH+]2CC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000657805655 415085745 /nfs/dbraw/zinc/08/57/45/415085745.db2.gz DXKLFCFQNLJYIO-GBESFXJTSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[NH+]2CC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000657805655 415085746 /nfs/dbraw/zinc/08/57/46/415085746.db2.gz DXKLFCFQNLJYIO-GBESFXJTSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H]2CN[C@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000657805655 415085754 /nfs/dbraw/zinc/08/57/54/415085754.db2.gz DXKLFCFQNLJYIO-GBESFXJTSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@@H]2CN[C@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000657805655 415085759 /nfs/dbraw/zinc/08/57/59/415085759.db2.gz DXKLFCFQNLJYIO-GBESFXJTSA-N 2 1 299.462 2.477 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](C)C2(CCCCC2)C1 ZINC000653722169 415086177 /nfs/dbraw/zinc/08/61/77/415086177.db2.gz LUHNBRZARWQQJA-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CC[N@H+](C)C2(CCCCC2)C1 ZINC000653722169 415086183 /nfs/dbraw/zinc/08/61/83/415086183.db2.gz LUHNBRZARWQQJA-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000653722169 415086185 /nfs/dbraw/zinc/08/61/85/415086185.db2.gz LUHNBRZARWQQJA-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP Cn1cncc1CCC[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000653555144 415032102 /nfs/dbraw/zinc/03/21/02/415032102.db2.gz METSPSHGLZSCHA-CYBMUJFWSA-N 2 1 259.353 2.435 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000653555144 415032109 /nfs/dbraw/zinc/03/21/09/415032109.db2.gz METSPSHGLZSCHA-CYBMUJFWSA-N 2 1 259.353 2.435 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000653555144 415032114 /nfs/dbraw/zinc/03/21/14/415032114.db2.gz METSPSHGLZSCHA-CYBMUJFWSA-N 2 1 259.353 2.435 20 0 CEADMP CCCCC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000653570985 415039595 /nfs/dbraw/zinc/03/95/95/415039595.db2.gz NTDHGBLZGCNQSX-CABCVRRESA-N 2 1 256.434 2.344 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000653577967 415042506 /nfs/dbraw/zinc/04/25/06/415042506.db2.gz ONQBDKZAZCNPQQ-UHFFFAOYSA-N 2 1 285.391 2.159 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000653577967 415042510 /nfs/dbraw/zinc/04/25/10/415042510.db2.gz ONQBDKZAZCNPQQ-UHFFFAOYSA-N 2 1 285.391 2.159 20 0 CEADMP CC1(C[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)COC1 ZINC000657677743 415045550 /nfs/dbraw/zinc/04/55/50/415045550.db2.gz HDHWNPNLHQLYTO-ZDUSSCGKSA-N 2 1 252.402 2.020 20 0 CEADMP CC1(C[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)COC1 ZINC000657677743 415045556 /nfs/dbraw/zinc/04/55/56/415045556.db2.gz HDHWNPNLHQLYTO-ZDUSSCGKSA-N 2 1 252.402 2.020 20 0 CEADMP C1C[N@@H+]2CCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657838206 415100661 /nfs/dbraw/zinc/10/06/61/415100661.db2.gz OVUNLJHBJHLOCW-MGPQQGTHSA-N 2 1 254.443 2.489 20 0 CEADMP C1C[N@H+]2CCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657838206 415100666 /nfs/dbraw/zinc/10/06/66/415100666.db2.gz OVUNLJHBJHLOCW-MGPQQGTHSA-N 2 1 254.443 2.489 20 0 CEADMP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCCSCC3)CC[N@H+]2C1 ZINC000657839509 415101395 /nfs/dbraw/zinc/10/13/95/415101395.db2.gz ARKJQUVHJCKKFH-HZSPNIEDSA-N 2 1 254.443 2.489 20 0 CEADMP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000657844460 415102613 /nfs/dbraw/zinc/10/26/13/415102613.db2.gz HJILWGANUDSZIE-PMPSAXMXSA-N 2 1 280.456 2.248 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658029524 415162803 /nfs/dbraw/zinc/16/28/03/415162803.db2.gz QRSXCKYEFLKTQX-YNBOMUFVSA-N 2 1 296.455 2.033 20 0 CEADMP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]C[C@H](O)C[NH+](C)C ZINC000657875617 415111166 /nfs/dbraw/zinc/11/11/66/415111166.db2.gz MWJFUBFIULUNAT-KSSFIOAISA-N 2 1 290.451 2.009 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCSCC1 ZINC000657879941 415111912 /nfs/dbraw/zinc/11/19/12/415111912.db2.gz NKWSLKXZSIABHF-CABCVRRESA-N 2 1 286.485 2.099 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCSCC2)CCCO1 ZINC000657992151 415145770 /nfs/dbraw/zinc/14/57/70/415145770.db2.gz CLEVIAVBPNJAKG-GJZGRUSLSA-N 2 1 286.485 2.363 20 0 CEADMP [NH3+]CC1CC[NH+](CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000044513305 175188816 /nfs/dbraw/zinc/18/88/16/175188816.db2.gz ZMUIYDVGNJWJNX-UHFFFAOYSA-N 2 1 299.777 2.088 20 0 CEADMP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044514263 175189478 /nfs/dbraw/zinc/18/94/78/175189478.db2.gz OHFHQMZGIYPGJK-UHFFFAOYSA-N 2 1 289.423 2.167 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655351905 415204870 /nfs/dbraw/zinc/20/48/70/415204870.db2.gz VBYPWNJMNMCQLE-ILXRZTDVSA-N 2 1 295.471 2.286 20 0 CEADMP CC[C@H](COCC1CC1)[NH2+]C1CC[NH+](CC)CC1 ZINC000658090290 415201047 /nfs/dbraw/zinc/20/10/47/415201047.db2.gz IBJMDHHVSJXZTB-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](CCNc1cc[nH+]c(N2CCCCC2)n1)[NH+](C)C ZINC000664243329 415239109 /nfs/dbraw/zinc/23/91/09/415239109.db2.gz KRUSAQZUWUYLMM-ZDUSSCGKSA-N 2 1 277.416 2.219 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nnc(C2CC2)s1 ZINC000664197452 415220381 /nfs/dbraw/zinc/22/03/81/415220381.db2.gz XMFKAPTVPIENHH-NSHDSACASA-N 2 1 297.472 2.099 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nnc(C2CC2)s1 ZINC000664197452 415220388 /nfs/dbraw/zinc/22/03/88/415220388.db2.gz XMFKAPTVPIENHH-NSHDSACASA-N 2 1 297.472 2.099 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C=C\CO ZINC000658132317 415224833 /nfs/dbraw/zinc/22/48/33/415224833.db2.gz GZUQDHCLWAMBBT-BZOVTKSESA-N 2 1 274.408 2.035 20 0 CEADMP CO[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000658318768 415316460 /nfs/dbraw/zinc/31/64/60/415316460.db2.gz WLCSCTHXBHHCTH-SJORKVTESA-N 2 1 296.455 2.035 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658348563 415328263 /nfs/dbraw/zinc/32/82/63/415328263.db2.gz BYRCGVITTICSKM-QSPRXWTASA-N 2 1 274.408 2.010 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658348563 415328269 /nfs/dbraw/zinc/32/82/69/415328269.db2.gz BYRCGVITTICSKM-QSPRXWTASA-N 2 1 274.408 2.010 20 0 CEADMP Cc1cccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655713394 415404671 /nfs/dbraw/zinc/40/46/71/415404671.db2.gz LBQXKEIFMFPGIV-SFHVURJKSA-N 2 1 288.435 2.380 20 0 CEADMP CCO[C@H](CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000655719901 415413084 /nfs/dbraw/zinc/41/30/84/415413084.db2.gz WUBRZPLQINOAKK-DLBZAZTESA-N 2 1 298.471 2.281 20 0 CEADMP FC1(F)CC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655745600 415428983 /nfs/dbraw/zinc/42/89/83/415428983.db2.gz ABSWEKRJBJROTJ-KGLIPLIRSA-N 2 1 288.382 2.407 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC[C@@H](C)SC2)CC1 ZINC000655688849 415386402 /nfs/dbraw/zinc/38/64/02/415386402.db2.gz MZZOTUASKLTPJJ-CVEARBPZSA-N 2 1 299.528 2.278 20 0 CEADMP COCC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000655764156 415444028 /nfs/dbraw/zinc/44/40/28/415444028.db2.gz WVBMVODLISOAIL-INIZCTEOSA-N 2 1 296.455 2.036 20 0 CEADMP CC1(C)SC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655766994 415449447 /nfs/dbraw/zinc/44/94/47/415449447.db2.gz WBMKSGRGOOTGJR-KBPBESRZSA-N 2 1 284.469 2.113 20 0 CEADMP CC(C)[C@@H]1C[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655773233 415451392 /nfs/dbraw/zinc/45/13/92/415451392.db2.gz YSOUUNGPMLGPGW-IMJJTQAJSA-N 2 1 266.429 2.121 20 0 CEADMP CCC(C)(C)OCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655775233 415454961 /nfs/dbraw/zinc/45/49/61/415454961.db2.gz SVBHXCNDGOWRLS-MRXNPFEDSA-N 2 1 298.471 2.425 20 0 CEADMP COC1([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000655776747 415457868 /nfs/dbraw/zinc/45/78/68/415457868.db2.gz OLQQQQKMAQBJLA-GOEBONIOSA-N 2 1 296.455 2.177 20 0 CEADMP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655848894 415517005 /nfs/dbraw/zinc/51/70/05/415517005.db2.gz LBJNMBUAUOOTOA-ROUUACIJSA-N 2 1 291.483 2.467 20 0 CEADMP c1cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)ccc1C[NH+]1CCOCC1 ZINC000661965864 415545073 /nfs/dbraw/zinc/54/50/73/415545073.db2.gz BIDOPAGZMBLEHX-ROUUACIJSA-N 2 1 286.419 2.361 20 0 CEADMP c1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)ccc1C[NH+]1CCOCC1 ZINC000661965864 415545080 /nfs/dbraw/zinc/54/50/80/415545080.db2.gz BIDOPAGZMBLEHX-ROUUACIJSA-N 2 1 286.419 2.361 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000655938238 415559445 /nfs/dbraw/zinc/55/94/45/415559445.db2.gz PNHNZGAXHVZPQG-LBPRGKRZSA-N 2 1 268.351 2.439 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCc2c(F)cccc2F)C1 ZINC000655938238 415559450 /nfs/dbraw/zinc/55/94/50/415559450.db2.gz PNHNZGAXHVZPQG-LBPRGKRZSA-N 2 1 268.351 2.439 20 0 CEADMP C[C@H]([NH2+]CCc1noc2ccccc12)[C@H]1CCC[NH2+]1 ZINC000665232569 415635154 /nfs/dbraw/zinc/63/51/54/415635154.db2.gz PHXIGKJVSCJDRY-WCQYABFASA-N 2 1 259.353 2.100 20 0 CEADMP CC[C@H]([NH2+]CCc1ncc(C)cc1C)[C@@H]1CCC[NH2+]1 ZINC000656201766 415636891 /nfs/dbraw/zinc/63/68/91/415636891.db2.gz YPZWVWAECNUIMV-HOCLYGCPSA-N 2 1 261.413 2.361 20 0 CEADMP O[C@H]1CC[N@H+](C2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000662150593 415658518 /nfs/dbraw/zinc/65/85/18/415658518.db2.gz XXVYDJBJOZBLSU-INIZCTEOSA-N 2 1 294.826 2.371 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c2ccccc21 ZINC000665291104 415680249 /nfs/dbraw/zinc/68/02/49/415680249.db2.gz USGLLKRETUMYJU-NHYWBVRUSA-N 2 1 298.390 2.369 20 0 CEADMP COc1ccc(C[N@@H+](C)CCc2cncn2C)cc1OC ZINC000656401264 415690409 /nfs/dbraw/zinc/69/04/09/415690409.db2.gz HKDKJHRRQYZANB-UHFFFAOYSA-N 2 1 289.379 2.112 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2cc(C)ccc2C)C1 ZINC000071147388 176043188 /nfs/dbraw/zinc/04/31/88/176043188.db2.gz UCVOUYCXHYGMAG-HNNXBMFYSA-N 2 1 262.397 2.224 20 0 CEADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148904 176044375 /nfs/dbraw/zinc/04/43/75/176044375.db2.gz SXWVXZDQGVSFMP-AWEZNQCLSA-N 2 1 287.407 2.331 20 0 CEADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255702 415721299 /nfs/dbraw/zinc/72/12/99/415721299.db2.gz DKKNTBUGEVHVRE-PVAVHDDUSA-N 2 1 286.419 2.385 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662266217 415733468 /nfs/dbraw/zinc/73/34/68/415733468.db2.gz KTYNMEZMLFHZSJ-JQWIXIFHSA-N 2 1 298.333 2.220 20 0 CEADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H](CC(F)(F)F)O1 ZINC000662231721 415699244 /nfs/dbraw/zinc/69/92/44/415699244.db2.gz RKSQGIQCLKFYFB-JQWIXIFHSA-N 2 1 280.334 2.028 20 0 CEADMP COc1cccc(SCC[NH+]2CCC([NH3+])CC2)c1 ZINC000662239426 415701082 /nfs/dbraw/zinc/70/10/82/415701082.db2.gz CDZQDGWYLFVTRV-UHFFFAOYSA-N 2 1 266.410 2.210 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000662245974 415706762 /nfs/dbraw/zinc/70/67/62/415706762.db2.gz XINWEBPJXGRYRZ-LLVKDONJSA-N 2 1 261.394 2.119 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000662245094 415706853 /nfs/dbraw/zinc/70/68/53/415706853.db2.gz HPKBXMRJQGNRAG-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP COc1cccc(SCC[N@@H+](C)CCC[NH3+])c1 ZINC000662244996 415707716 /nfs/dbraw/zinc/70/77/16/415707716.db2.gz KSXQYWGOIWRXGV-UHFFFAOYSA-N 2 1 254.399 2.068 20 0 CEADMP Clc1cccc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000656451880 415710116 /nfs/dbraw/zinc/71/01/16/415710116.db2.gz CIJRWUVYGHSFCC-STQMWFEESA-N 2 1 250.773 2.034 20 0 CEADMP [NH3+]CCCCc1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656456188 415715820 /nfs/dbraw/zinc/71/58/20/415715820.db2.gz SXMLAWIOSJUJRD-KRWDZBQOSA-N 2 1 299.422 2.007 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)co1 ZINC000662272031 415739202 /nfs/dbraw/zinc/73/92/02/415739202.db2.gz BOLVJKDZYDGAIR-UONOGXRCSA-N 2 1 263.385 2.195 20 0 CEADMP CC(C)c1cccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000662282779 415749548 /nfs/dbraw/zinc/74/95/48/415749548.db2.gz WFFCSUBFZBLRSI-MRXNPFEDSA-N 2 1 262.397 2.360 20 0 CEADMP CC(C)c1cccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000662282779 415749554 /nfs/dbraw/zinc/74/95/54/415749554.db2.gz WFFCSUBFZBLRSI-MRXNPFEDSA-N 2 1 262.397 2.360 20 0 CEADMP CC(C)c1cccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000662282778 415749575 /nfs/dbraw/zinc/74/95/75/415749575.db2.gz WFFCSUBFZBLRSI-INIZCTEOSA-N 2 1 262.397 2.360 20 0 CEADMP CC(C)c1cccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000662282778 415749578 /nfs/dbraw/zinc/74/95/78/415749578.db2.gz WFFCSUBFZBLRSI-INIZCTEOSA-N 2 1 262.397 2.360 20 0 CEADMP CCc1nnc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000662273563 415737624 /nfs/dbraw/zinc/73/76/24/415737624.db2.gz OIVRFUKUWPTIRF-MJBXVCDLSA-N 2 1 291.443 2.140 20 0 CEADMP OCC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000662299859 415761839 /nfs/dbraw/zinc/76/18/39/415761839.db2.gz YOIZICYDZDKNDL-QGZVFWFLSA-N 2 1 274.408 2.069 20 0 CEADMP CC1(C)C[N@@H+](C[C@H]2CC[NH2+]C2)CCc2ccccc21 ZINC000662299298 415762497 /nfs/dbraw/zinc/76/24/97/415762497.db2.gz NNLQPJQNIJOHTR-AWEZNQCLSA-N 2 1 258.409 2.432 20 0 CEADMP Cc1nnsc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662309911 415772569 /nfs/dbraw/zinc/77/25/69/415772569.db2.gz APJOFTVBCBTEFG-ZYHUDNBSSA-N 2 1 268.430 2.186 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCCC[C@H]2C)[C@@H]1CCC[NH3+] ZINC000662313407 415775216 /nfs/dbraw/zinc/77/52/16/415775216.db2.gz MEPKWMXGVCTGLV-BZUAXINKSA-N 2 1 295.471 2.227 20 0 CEADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)C1CCC1 ZINC000662284325 415750909 /nfs/dbraw/zinc/75/09/09/415750909.db2.gz MNHVSCKLMIYEDS-WCXIOVBPSA-N 2 1 296.455 2.162 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C[NH3+] ZINC000662284073 415751605 /nfs/dbraw/zinc/75/16/05/415751605.db2.gz SQXARBCYNUNDOF-KEYYUXOJSA-N 3 1 287.451 2.138 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@]1(C)CC1(F)F ZINC000656710308 415829391 /nfs/dbraw/zinc/82/93/91/415829391.db2.gz IEGQHTQUOUCXTC-HUUCEWRRSA-N 2 1 298.377 2.114 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@]1(C)CC1(F)F ZINC000656710308 415829394 /nfs/dbraw/zinc/82/93/94/415829394.db2.gz IEGQHTQUOUCXTC-HUUCEWRRSA-N 2 1 298.377 2.114 20 0 CEADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)nc(C)n1 ZINC000660013311 415851613 /nfs/dbraw/zinc/85/16/13/415851613.db2.gz VSGPQWXKRUUETO-GDBMZVCRSA-N 2 1 274.412 2.010 20 0 CEADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)nc(C)n1 ZINC000660013311 415851617 /nfs/dbraw/zinc/85/16/17/415851617.db2.gz VSGPQWXKRUUETO-GDBMZVCRSA-N 2 1 274.412 2.010 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)nc(C)n1 ZINC000660013311 415851622 /nfs/dbraw/zinc/85/16/22/415851622.db2.gz VSGPQWXKRUUETO-GDBMZVCRSA-N 2 1 274.412 2.010 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)nc(C)n1 ZINC000660013311 415851625 /nfs/dbraw/zinc/85/16/25/415851625.db2.gz VSGPQWXKRUUETO-GDBMZVCRSA-N 2 1 274.412 2.010 20 0 CEADMP CC(C)CCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321808 415779297 /nfs/dbraw/zinc/77/92/97/415779297.db2.gz DMVPFQDAYMFTJB-HNNXBMFYSA-N 2 1 256.434 2.465 20 0 CEADMP Cc1cc(N2CCC[C@H](C3CC[NH2+]CC3)C2)nc(C)[nH+]1 ZINC000656607674 415782577 /nfs/dbraw/zinc/78/25/77/415782577.db2.gz DXXKORQLFCUFMM-HNNXBMFYSA-N 2 1 274.412 2.309 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H](CC(F)(F)F)O1 ZINC000662326610 415785188 /nfs/dbraw/zinc/78/51/88/415785188.db2.gz XDUCDOPJLDFTGJ-UPJWGTAASA-N 2 1 294.361 2.418 20 0 CEADMP Cc1ccc(OCCN(C)C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000656693404 415816312 /nfs/dbraw/zinc/81/63/12/415816312.db2.gz GGSCZKIUTQDRFT-INIZCTEOSA-N 2 1 294.439 2.007 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(=O)NCC(C)C)C[C@@H]1C ZINC000659982988 415826303 /nfs/dbraw/zinc/82/63/03/415826303.db2.gz AZIXUHZBLHVCMB-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC(=O)NCC(C)C)C[C@@H]1C ZINC000659982988 415826305 /nfs/dbraw/zinc/82/63/05/415826305.db2.gz AZIXUHZBLHVCMB-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC(=O)NCC(C)C)C[C@@H]1C ZINC000659982988 415826310 /nfs/dbraw/zinc/82/63/10/415826310.db2.gz AZIXUHZBLHVCMB-JKSUJKDBSA-N 2 1 297.487 2.343 20 0 CEADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662517477 415872091 /nfs/dbraw/zinc/87/20/91/415872091.db2.gz GMASRDBKHLJHSO-KDURUIRLSA-N 3 1 299.462 2.324 20 0 CEADMP c1cc(C[NH+]2CCCCC2)ccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000662517477 415872095 /nfs/dbraw/zinc/87/20/95/415872095.db2.gz GMASRDBKHLJHSO-KDURUIRLSA-N 2 1 299.462 2.324 20 0 CEADMP C[NH2+][C@@H](C)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000662524254 415875364 /nfs/dbraw/zinc/87/53/64/415875364.db2.gz JKOKYQAWWQKMQU-NSHDSACASA-N 2 1 296.440 2.066 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662681711 415928841 /nfs/dbraw/zinc/92/88/41/415928841.db2.gz BXVAOGNOFFYPPW-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP CO[C@@H](C[NH+]1CCC2(CCC[N@H+]2C)CC1)C1CCC1 ZINC000660167229 415911459 /nfs/dbraw/zinc/91/14/59/415911459.db2.gz MZUGIZOELSJANY-HNNXBMFYSA-N 2 1 266.429 2.362 20 0 CEADMP Cn1ncc(Cl)c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656784850 415859754 /nfs/dbraw/zinc/85/97/54/415859754.db2.gz DBZCOTQXHVYATF-CYBMUJFWSA-N 2 1 296.846 2.285 20 0 CEADMP CC[NH+](CC)CCCC1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000660241928 415937349 /nfs/dbraw/zinc/93/73/49/415937349.db2.gz HASYOCIKVVDPDD-UHFFFAOYSA-N 2 1 293.459 2.181 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@H]1CSC[C@@H]1C[NH+](C)CCO1 ZINC000566560823 299003022 /nfs/dbraw/zinc/00/30/22/299003022.db2.gz KLBIPYPYNOSCSV-GJZGRUSLSA-N 2 1 286.485 2.313 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CSC[C@@H]1C[NH+](C)CCO1 ZINC000566560823 299003025 /nfs/dbraw/zinc/00/30/25/299003025.db2.gz KLBIPYPYNOSCSV-GJZGRUSLSA-N 2 1 286.485 2.313 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CSC[C@@H]1C[N@H+](C)CCO1 ZINC000566560823 299003029 /nfs/dbraw/zinc/00/30/29/299003029.db2.gz KLBIPYPYNOSCSV-GJZGRUSLSA-N 2 1 286.485 2.313 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CSC[C@@H]1C[N@@H+](C)CCO1 ZINC000566560823 299003032 /nfs/dbraw/zinc/00/30/32/299003032.db2.gz KLBIPYPYNOSCSV-GJZGRUSLSA-N 2 1 286.485 2.313 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](CCO)C1CCCCC1 ZINC000355008089 227307626 /nfs/dbraw/zinc/30/76/26/227307626.db2.gz CWXOBLDCLPTBFR-OAHLLOKOSA-N 2 1 265.401 2.112 20 0 CEADMP CCc1noc(C2CCC([NH2+]C[C@H]3CCCC[NH2+]3)CC2)n1 ZINC000666770120 419425723 /nfs/dbraw/zinc/42/57/23/419425723.db2.gz LLHALSRQTRVXCS-JXQTWKCFSA-N 2 1 292.427 2.390 20 0 CEADMP c1cc2c(c(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)c1)OCO2 ZINC000666999433 419508872 /nfs/dbraw/zinc/50/88/72/419508872.db2.gz HVYGDBFEQWIDKA-ZDUSSCGKSA-N 2 1 274.364 2.180 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccnn2CC2CC2)[C@H](C)C1 ZINC000667666157 419765838 /nfs/dbraw/zinc/76/58/38/419765838.db2.gz DORSRUUBXLQIGD-RHSMWYFYSA-N 2 1 290.455 2.455 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000666705341 419780296 /nfs/dbraw/zinc/78/02/96/419780296.db2.gz MJMNSTRCVILOEJ-CABCVRRESA-N 2 1 254.418 2.108 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000337409876 292651001 /nfs/dbraw/zinc/65/10/01/292651001.db2.gz VLTYVHKJCOZDPF-CFVMTHIKSA-N 2 1 254.418 2.121 20 0 CEADMP c1cc(C[NH2+]CCC[NH+]2CCCC2)n(-c2ccccc2)n1 ZINC000447934235 260172598 /nfs/dbraw/zinc/17/25/98/260172598.db2.gz XCEMVLVCCALZOU-UHFFFAOYSA-N 2 1 284.407 2.448 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCOCC1 ZINC000518055736 260339098 /nfs/dbraw/zinc/33/90/98/260339098.db2.gz YTXJITKCBOKYKG-NVXWUHKLSA-N 2 1 298.471 2.282 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCOCC1 ZINC000518055736 260339099 /nfs/dbraw/zinc/33/90/99/260339099.db2.gz YTXJITKCBOKYKG-NVXWUHKLSA-N 2 1 298.471 2.282 20 0 CEADMP Cc1cnccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000521186596 260358018 /nfs/dbraw/zinc/35/80/18/260358018.db2.gz VQYIAIQUJRZXQL-GVDBMIGSSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cnccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000521186596 260358019 /nfs/dbraw/zinc/35/80/19/260358019.db2.gz VQYIAIQUJRZXQL-GVDBMIGSSA-N 2 1 289.423 2.074 20 0 CEADMP C[N@H+](Cc1cccc2c1OC(C)(C)C2)C1CC([NH3+])C1 ZINC000395331321 270346582 /nfs/dbraw/zinc/34/65/82/270346582.db2.gz FTFIAMXMEDDBID-UHFFFAOYSA-N 2 1 260.381 2.322 20 0 CEADMP C[N@@H+](Cc1cccc2c1OC(C)(C)C2)C1CC([NH3+])C1 ZINC000395331321 270346583 /nfs/dbraw/zinc/34/65/83/270346583.db2.gz FTFIAMXMEDDBID-UHFFFAOYSA-N 2 1 260.381 2.322 20 0 CEADMP CC(C)(C)[N@@H+]1CC[C@](F)(c2nc(C3([NH3+])CCCC3)no2)C1 ZINC000414624869 263014780 /nfs/dbraw/zinc/01/47/80/263014780.db2.gz HINLTXKPIXQRKV-CQSZACIVSA-N 2 1 296.390 2.467 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@](F)(c2nc(C3([NH3+])CCCC3)no2)C1 ZINC000414624869 263014781 /nfs/dbraw/zinc/01/47/81/263014781.db2.gz HINLTXKPIXQRKV-CQSZACIVSA-N 2 1 296.390 2.467 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccncc1 ZINC000453097997 263188098 /nfs/dbraw/zinc/18/80/98/263188098.db2.gz WYIXVYHRHZFHBZ-OAHLLOKOSA-N 2 1 265.401 2.091 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@]1(C)CCCO1 ZINC000453398199 263263343 /nfs/dbraw/zinc/26/33/43/263263343.db2.gz KIUXJYHEKMJMOG-ZFWWWQNUSA-N 2 1 254.418 2.408 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CC(OC(C)C)C2)C1 ZINC000428079903 264368308 /nfs/dbraw/zinc/36/83/08/264368308.db2.gz XMZNIZNHDYHKNK-WLYUNCDWSA-N 2 1 254.418 2.264 20 0 CEADMP COc1nc2ccccc2cc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000519155289 265341463 /nfs/dbraw/zinc/34/14/63/265341463.db2.gz BWZVKUFKJQCXDU-STQMWFEESA-N 2 1 285.391 2.413 20 0 CEADMP COc1nc2ccccc2cc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000519155289 265341465 /nfs/dbraw/zinc/34/14/65/265341465.db2.gz BWZVKUFKJQCXDU-STQMWFEESA-N 2 1 285.391 2.413 20 0 CEADMP COc1ccc(OCC[NH2+]C[C@@H]([NH3+])CC(C)C)cc1 ZINC000107787546 270233373 /nfs/dbraw/zinc/23/33/73/270233373.db2.gz UPMADMRYNKRHCJ-ZDUSSCGKSA-N 2 1 266.385 2.037 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCO1)CC[C@@H]1CCCC[NH+]1C ZINC000191061227 270271882 /nfs/dbraw/zinc/27/18/82/270271882.db2.gz XQUHCBUAZWDPAH-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CC[C@@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000192835078 270280920 /nfs/dbraw/zinc/28/09/20/270280920.db2.gz RWXZQQXOYVQFEX-NVXWUHKLSA-N 2 1 276.424 2.354 20 0 CEADMP CC[C@@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000192835078 270280922 /nfs/dbraw/zinc/28/09/22/270280922.db2.gz RWXZQQXOYVQFEX-NVXWUHKLSA-N 2 1 276.424 2.354 20 0 CEADMP CC[C@@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000192835078 270280924 /nfs/dbraw/zinc/28/09/24/270280924.db2.gz RWXZQQXOYVQFEX-NVXWUHKLSA-N 2 1 276.424 2.354 20 0 CEADMP CC[C@@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000192835078 270280926 /nfs/dbraw/zinc/28/09/26/270280926.db2.gz RWXZQQXOYVQFEX-NVXWUHKLSA-N 2 1 276.424 2.354 20 0 CEADMP COCCN(C)CCC[NH2+]Cc1cc(Cl)cs1 ZINC000193002784 270282664 /nfs/dbraw/zinc/28/26/64/270282664.db2.gz GVZDJWCQOZRQLT-UHFFFAOYSA-N 2 1 276.833 2.459 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000235458752 270315214 /nfs/dbraw/zinc/31/52/14/270315214.db2.gz UBQBCKVZADXYES-VHSXEESVSA-N 2 1 271.202 2.317 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000237678089 270322542 /nfs/dbraw/zinc/32/25/42/270322542.db2.gz XWVZSSZNVQQMLX-OAGGEKHMSA-N 2 1 295.471 2.275 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000259059929 270329418 /nfs/dbraw/zinc/32/94/18/270329418.db2.gz QDABIYAPOYFGQR-VXGBXAGGSA-N 2 1 254.761 2.318 20 0 CEADMP COc1cc(C)nc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000397253194 270352474 /nfs/dbraw/zinc/35/24/74/270352474.db2.gz QCZACQLQXWGNIO-XBFCOCLRSA-N 2 1 277.412 2.204 20 0 CEADMP COc1cc(C)nc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000397253194 270352477 /nfs/dbraw/zinc/35/24/77/270352477.db2.gz QCZACQLQXWGNIO-XBFCOCLRSA-N 2 1 277.412 2.204 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398140406 270356730 /nfs/dbraw/zinc/35/67/30/270356730.db2.gz WCWIQDXQPIMSOK-NRSFXHEJSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CN1Cc1ccccc1 ZINC000398140406 270356734 /nfs/dbraw/zinc/35/67/34/270356734.db2.gz WCWIQDXQPIMSOK-NRSFXHEJSA-N 2 1 287.451 2.366 20 0 CEADMP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H](C)[NH3+] ZINC000399385224 270369205 /nfs/dbraw/zinc/36/92/05/270369205.db2.gz KXXNIMNEOBNRMY-GOEBONIOSA-N 2 1 297.487 2.377 20 0 CEADMP CC(C)OCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329783 270518634 /nfs/dbraw/zinc/51/86/34/270518634.db2.gz OYFSRHJTMMVPKM-CABCVRRESA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)Cc1noc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420337867 270521597 /nfs/dbraw/zinc/52/15/97/270521597.db2.gz KFIVVSCGPFEHKY-ZIAGYGMSSA-N 2 1 292.427 2.090 20 0 CEADMP C[C@@H](NCCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422815289 270781334 /nfs/dbraw/zinc/78/13/34/270781334.db2.gz BGXNJXUCMAVXLK-WBVHZDCISA-N 2 1 298.434 2.204 20 0 CEADMP C[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422815289 270781336 /nfs/dbraw/zinc/78/13/36/270781336.db2.gz BGXNJXUCMAVXLK-WBVHZDCISA-N 2 1 298.434 2.204 20 0 CEADMP N[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422900160 270800757 /nfs/dbraw/zinc/80/07/57/270800757.db2.gz IYQUGWNUOLIDAY-MSOLQXFVSA-N 2 1 287.451 2.368 20 0 CEADMP CSc1cccc(F)c1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423103816 270836860 /nfs/dbraw/zinc/83/68/60/270836860.db2.gz LJZCNATZEPBCDS-SCDSUCTJSA-N 2 1 298.427 2.390 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423141795 270849195 /nfs/dbraw/zinc/84/91/95/270849195.db2.gz RVGXRZGHRKWFPJ-ZNMIVQPWSA-N 2 1 255.450 2.227 20 0 CEADMP CC[C@@H]([NH2+][C@@H](CO)Cc1ccc(C)c(C)c1)[C@@H]1CCC[NH2+]1 ZINC000423170390 270858511 /nfs/dbraw/zinc/85/85/11/270858511.db2.gz XYETWUNJGZVCMC-KURKYZTESA-N 2 1 290.451 2.327 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000423260214 270883484 /nfs/dbraw/zinc/88/34/84/270883484.db2.gz GYQUYVRVLMIKKD-OCCSQVGLSA-N 2 1 278.396 2.482 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000423265596 270884374 /nfs/dbraw/zinc/88/43/74/270884374.db2.gz CISCJARLYOIXCQ-GHMZBOCLSA-N 2 1 284.375 2.349 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423457876 270913550 /nfs/dbraw/zinc/91/35/50/270913550.db2.gz GGYPRDDYCCFSON-UKRRQHHQSA-N 3 1 279.428 2.015 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)C1(C)C ZINC000423567079 270926162 /nfs/dbraw/zinc/92/61/62/270926162.db2.gz UPJWPZRGIKDXEW-MELADBBJSA-N 2 1 254.418 2.310 20 0 CEADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C[C@H]2C1 ZINC000424256084 271035382 /nfs/dbraw/zinc/03/53/82/271035382.db2.gz AHFVGIKYNLTDSV-DEQQHWRFSA-N 2 1 278.440 2.264 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(C)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424278637 271038967 /nfs/dbraw/zinc/03/89/67/271038967.db2.gz DQQPOHTWENSOFG-RDJZCZTQSA-N 2 1 293.430 2.284 20 0 CEADMP CCCCc1nc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)no1 ZINC000424285036 271040332 /nfs/dbraw/zinc/04/03/32/271040332.db2.gz DXLSANITFZZTFY-ZDUSSCGKSA-N 2 1 292.427 2.376 20 0 CEADMP CCCCc1nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)no1 ZINC000424285036 271040333 /nfs/dbraw/zinc/04/03/33/271040333.db2.gz DXLSANITFZZTFY-ZDUSSCGKSA-N 2 1 292.427 2.376 20 0 CEADMP CC(C)OCCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424285549 271040412 /nfs/dbraw/zinc/04/04/12/271040412.db2.gz FTQVOEZRMLWPJT-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP O[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000424336743 271048778 /nfs/dbraw/zinc/04/87/78/271048778.db2.gz YNJYXUWMWAWQGD-DUQPFJRNSA-N 2 1 286.419 2.010 20 0 CEADMP CCN(CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CCC(F)(F)F ZINC000426062400 271196308 /nfs/dbraw/zinc/19/63/08/271196308.db2.gz PKSOVRNYORIEIF-STQMWFEESA-N 2 1 295.393 2.333 20 0 CEADMP COCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000426333594 271212533 /nfs/dbraw/zinc/21/25/33/271212533.db2.gz UTISWRVCQIESDW-MCIONIFRSA-N 2 1 254.418 2.121 20 0 CEADMP COCC(C)(C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000426409850 271219892 /nfs/dbraw/zinc/21/98/92/271219892.db2.gz GTQDXORTRUNEPW-ZIAGYGMSSA-N 2 1 254.418 2.075 20 0 CEADMP COCC(C)(C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000426409850 271219895 /nfs/dbraw/zinc/21/98/95/271219895.db2.gz GTQDXORTRUNEPW-ZIAGYGMSSA-N 2 1 254.418 2.075 20 0 CEADMP C[N@H+](CC[NH2+]C1CCC(O)CC1)C1CCCCC1 ZINC000428219936 271247034 /nfs/dbraw/zinc/24/70/34/271247034.db2.gz QHASPDHMBXNERP-UHFFFAOYSA-N 2 1 254.418 2.144 20 0 CEADMP C[N@@H+](CC[NH2+]C1CCC(O)CC1)C1CCCCC1 ZINC000428219936 271247037 /nfs/dbraw/zinc/24/70/37/271247037.db2.gz QHASPDHMBXNERP-UHFFFAOYSA-N 2 1 254.418 2.144 20 0 CEADMP Cc1ccc(CCC[N@H+]2CCC[C@@H](CCC(N)=O)C2)cn1 ZINC000428453225 271268841 /nfs/dbraw/zinc/26/88/41/271268841.db2.gz FJQQEJIHHFGEAR-INIZCTEOSA-N 2 1 289.423 2.300 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429323301 271323855 /nfs/dbraw/zinc/32/38/55/271323855.db2.gz UWKNDTDJEZYLRR-GJZGRUSLSA-N 2 1 274.408 2.323 20 0 CEADMP C[C@H]1CN(CC[C@@H]2CCC[N@H+]2C)CC[NH+](C2CCC2)C1 ZINC000429398283 271328848 /nfs/dbraw/zinc/32/88/48/271328848.db2.gz HJBWVMKIZSBQRY-HOTGVXAUSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@@H+](C2CCC2)C1 ZINC000429398283 271328852 /nfs/dbraw/zinc/32/88/52/271328852.db2.gz HJBWVMKIZSBQRY-HOTGVXAUSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@H+](C2CCC2)C1 ZINC000429398283 271328855 /nfs/dbraw/zinc/32/88/55/271328855.db2.gz HJBWVMKIZSBQRY-HOTGVXAUSA-N 2 1 279.472 2.277 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC2(OC)CCC2)C1 ZINC000429524300 271335971 /nfs/dbraw/zinc/33/59/71/271335971.db2.gz VYBPEFBVVXGDPE-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1CCC[N@H+](CCC(=O)NCC2CCCCC2)[C@@H]1C[NH3+] ZINC000430546813 271388388 /nfs/dbraw/zinc/38/83/88/271388388.db2.gz KFWHKWPFEMQZFU-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)[C@@H]1C[NH3+] ZINC000430546813 271388392 /nfs/dbraw/zinc/38/83/92/271388392.db2.gz KFWHKWPFEMQZFU-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP CCC[N@H+](CCC[NH2+]C)C[C@@H]1COc2ccccc2O1 ZINC000435884456 271641571 /nfs/dbraw/zinc/64/15/71/271641571.db2.gz SMPRRUJALQNKDK-CQSZACIVSA-N 2 1 278.396 2.148 20 0 CEADMP CCC[N@@H+](CCC[NH2+]C)C[C@@H]1COc2ccccc2O1 ZINC000435884456 271641574 /nfs/dbraw/zinc/64/15/74/271641574.db2.gz SMPRRUJALQNKDK-CQSZACIVSA-N 2 1 278.396 2.148 20 0 CEADMP COc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C2 ZINC000164513713 274154681 /nfs/dbraw/zinc/15/46/81/274154681.db2.gz ISEZQDWJIZAYAW-VHDGCEQUSA-N 2 1 290.407 2.071 20 0 CEADMP COc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C2 ZINC000164513713 274154683 /nfs/dbraw/zinc/15/46/83/274154683.db2.gz ISEZQDWJIZAYAW-VHDGCEQUSA-N 2 1 290.407 2.071 20 0 CEADMP C[C@@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000274976656 274225013 /nfs/dbraw/zinc/22/50/13/274225013.db2.gz YTHQAHJLZRWMTM-BQFCYCMXSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000274976656 274225015 /nfs/dbraw/zinc/22/50/15/274225015.db2.gz YTHQAHJLZRWMTM-BQFCYCMXSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000274976656 274225016 /nfs/dbraw/zinc/22/50/16/274225016.db2.gz YTHQAHJLZRWMTM-BQFCYCMXSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000271524053 274340105 /nfs/dbraw/zinc/34/01/05/274340105.db2.gz PVQQQKCSFHJPCF-KNCCTNLNSA-N 2 1 288.435 2.139 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1C ZINC000360062716 274394683 /nfs/dbraw/zinc/39/46/83/274394683.db2.gz WOQYFAYXHCEQND-KMFMINBZSA-N 2 1 273.424 2.245 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1C ZINC000360062716 274394684 /nfs/dbraw/zinc/39/46/84/274394684.db2.gz WOQYFAYXHCEQND-KMFMINBZSA-N 2 1 273.424 2.245 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1C ZINC000360062716 274394685 /nfs/dbraw/zinc/39/46/85/274394685.db2.gz WOQYFAYXHCEQND-KMFMINBZSA-N 2 1 273.424 2.245 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+]1C ZINC000360062716 274394686 /nfs/dbraw/zinc/39/46/86/274394686.db2.gz WOQYFAYXHCEQND-KMFMINBZSA-N 2 1 273.424 2.245 20 0 CEADMP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000249150095 275051886 /nfs/dbraw/zinc/05/18/86/275051886.db2.gz XMIIZYHQLMTYPA-RDJZCZTQSA-N 2 1 280.456 2.345 20 0 CEADMP C([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[C@H]1CC[N@H+](C2CC2)C1 ZINC000193969167 275396223 /nfs/dbraw/zinc/39/62/23/275396223.db2.gz LJOUVJNGBAWSDW-DMRZNYOFSA-N 2 1 276.424 2.018 20 0 CEADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000181921837 275494389 /nfs/dbraw/zinc/49/43/89/275494389.db2.gz XKTJFBJNJASYEA-LBPRGKRZSA-N 2 1 275.396 2.390 20 0 CEADMP CC1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000252513479 276191360 /nfs/dbraw/zinc/19/13/60/276191360.db2.gz SSBDXWUQCBNUGA-WUCCLRPBSA-N 2 1 252.402 2.018 20 0 CEADMP CC1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000252513479 276191362 /nfs/dbraw/zinc/19/13/62/276191362.db2.gz SSBDXWUQCBNUGA-WUCCLRPBSA-N 2 1 252.402 2.018 20 0 CEADMP CC1CCN(C(=[NH2+])NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000303258213 276193337 /nfs/dbraw/zinc/19/33/37/276193337.db2.gz KMSLQSOMUCMUIB-CQSZACIVSA-N 2 1 266.433 2.117 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCC(C)(C)C3)C2)CC1 ZINC000368634072 276198822 /nfs/dbraw/zinc/19/88/22/276198822.db2.gz TYCHXUYIWRRBAK-HZPDHXFCSA-N 2 1 279.472 2.277 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@@H](C)C1 ZINC000415028764 276229643 /nfs/dbraw/zinc/22/96/43/276229643.db2.gz ZHIKWJQXFHGTLU-VGWMRTNUSA-N 3 1 267.461 2.071 20 0 CEADMP CCN1CC[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@@H](C)C1 ZINC000415028764 276229645 /nfs/dbraw/zinc/22/96/45/276229645.db2.gz ZHIKWJQXFHGTLU-VGWMRTNUSA-N 2 1 267.461 2.071 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC12CCOCC2 ZINC000369205984 276250973 /nfs/dbraw/zinc/25/09/73/276250973.db2.gz LFMGAXMOQDYYNG-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC12CCOCC2 ZINC000369205984 276250975 /nfs/dbraw/zinc/25/09/75/276250975.db2.gz LFMGAXMOQDYYNG-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP CCC[C@H]1C[NH2+]CCN1Cc1[nH+]cc(C)c(OC)c1C ZINC000068695751 276290998 /nfs/dbraw/zinc/29/09/98/276290998.db2.gz GOWJANMRGSSWHH-AWEZNQCLSA-N 2 1 277.412 2.281 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C12CCC2 ZINC000087710173 276352221 /nfs/dbraw/zinc/35/22/21/276352221.db2.gz IBVSFFIGVFUFAT-CWRNSKLLSA-N 2 1 278.440 2.408 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000311676815 276359916 /nfs/dbraw/zinc/35/99/16/276359916.db2.gz BRJSCQGPCZYKTJ-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP CCN1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000250349151 276360493 /nfs/dbraw/zinc/36/04/93/276360493.db2.gz QYYLCCWPZOESCD-GVDBMIGSSA-N 2 1 279.472 2.371 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000250349151 276360494 /nfs/dbraw/zinc/36/04/94/276360494.db2.gz QYYLCCWPZOESCD-GVDBMIGSSA-N 3 1 279.472 2.371 20 0 CEADMP CCSCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000377386851 276395154 /nfs/dbraw/zinc/39/51/54/276395154.db2.gz RKGNIRLSUFXOEW-RBSFLKMASA-N 2 1 286.485 2.219 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000247145361 276395841 /nfs/dbraw/zinc/39/58/41/276395841.db2.gz WNCAKARJDHCAQR-GOEBONIOSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000247145361 276395842 /nfs/dbraw/zinc/39/58/42/276395842.db2.gz WNCAKARJDHCAQR-GOEBONIOSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CCOC)CC2)[C@H](C)C1 ZINC000090535603 276396055 /nfs/dbraw/zinc/39/60/55/276396055.db2.gz ABOJVHBSPFJDOF-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(COC)CCC2)[C@H](C)C1 ZINC000337381389 276396083 /nfs/dbraw/zinc/39/60/83/276396083.db2.gz JJGOINQJBQMKPE-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336811917 276399371 /nfs/dbraw/zinc/39/93/71/276399371.db2.gz PDWJKMLIHPQZAE-RBSFLKMASA-N 2 1 286.485 2.048 20 0 CEADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336811917 276399373 /nfs/dbraw/zinc/39/93/73/276399373.db2.gz PDWJKMLIHPQZAE-RBSFLKMASA-N 2 1 286.485 2.048 20 0 CEADMP CCS[C@@H]1CC[C@@H]([NH+](C)C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336811917 276399375 /nfs/dbraw/zinc/39/93/75/276399375.db2.gz PDWJKMLIHPQZAE-RBSFLKMASA-N 2 1 286.485 2.048 20 0 CEADMP CCS[C@@H]1CC[C@@H]([NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336811917 276399377 /nfs/dbraw/zinc/39/93/77/276399377.db2.gz PDWJKMLIHPQZAE-RBSFLKMASA-N 2 1 286.485 2.048 20 0 CEADMP CC[C@H](C[NH2+][C@@H](CC)[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000151704438 276626913 /nfs/dbraw/zinc/62/69/13/276626913.db2.gz ACKVNIMGRYUVFA-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP CC(=O)NCC[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000347645315 277033649 /nfs/dbraw/zinc/03/36/49/277033649.db2.gz OAVCWZYXFFQQPE-IRXDYDNUSA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCC[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000347645315 277033651 /nfs/dbraw/zinc/03/36/51/277033651.db2.gz OAVCWZYXFFQQPE-IRXDYDNUSA-N 2 1 295.471 2.099 20 0 CEADMP CC(=O)NCC[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000347645315 277033653 /nfs/dbraw/zinc/03/36/53/277033653.db2.gz OAVCWZYXFFQQPE-IRXDYDNUSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3Cc4ccccc4[C@H]3O)CC[C@H]21 ZINC000250553530 277069167 /nfs/dbraw/zinc/06/91/67/277069167.db2.gz AQCSSOKTGJJBMN-VDHUWJSZSA-N 2 1 286.419 2.061 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3Cc4ccccc4[C@H]3O)CC[C@H]21 ZINC000250553530 277069169 /nfs/dbraw/zinc/06/91/69/277069169.db2.gz AQCSSOKTGJJBMN-VDHUWJSZSA-N 2 1 286.419 2.061 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3Cc4ccccc4[C@H]3O)CC[C@H]21 ZINC000250553530 277069170 /nfs/dbraw/zinc/06/91/70/277069170.db2.gz AQCSSOKTGJJBMN-VDHUWJSZSA-N 2 1 286.419 2.061 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CC[C@@H]3CCCCO3)C2)C1 ZINC000336438914 277086726 /nfs/dbraw/zinc/08/67/26/277086726.db2.gz GHJYYDUWMXRCNJ-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CC[C@@H]3CCCCO3)C2)C1 ZINC000336438914 277086727 /nfs/dbraw/zinc/08/67/27/277086727.db2.gz GHJYYDUWMXRCNJ-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC[C@@H]3CCCCO3)C2)C1 ZINC000336438914 277086728 /nfs/dbraw/zinc/08/67/28/277086728.db2.gz GHJYYDUWMXRCNJ-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)[C@@H]2CCC[C@H]21 ZINC000367638281 277171228 /nfs/dbraw/zinc/17/12/28/277171228.db2.gz OGRCUAVSDKDPEB-MWDXBVQZSA-N 2 1 292.398 2.322 20 0 CEADMP COCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000336795191 277199250 /nfs/dbraw/zinc/19/92/50/277199250.db2.gz IKFDNFMZNGTCQJ-UHFFFAOYSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)([NH3+])CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000178722098 277306163 /nfs/dbraw/zinc/30/61/63/277306163.db2.gz ULBSRFIOXDTULT-UHFFFAOYSA-N 2 1 295.471 2.228 20 0 CEADMP CO[C@H](C)[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000359907089 277326009 /nfs/dbraw/zinc/32/60/09/277326009.db2.gz GKJVPKKGOFLQRG-LJISPDSOSA-N 2 1 256.434 2.367 20 0 CEADMP CC(C)CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000094848923 277353144 /nfs/dbraw/zinc/35/31/44/277353144.db2.gz HERHPFNYCQMNRB-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339427440 277360407 /nfs/dbraw/zinc/36/04/07/277360407.db2.gz UXGQJLYCBXDIIP-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)CC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339427440 277360409 /nfs/dbraw/zinc/36/04/09/277360409.db2.gz UXGQJLYCBXDIIP-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)CC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339427440 277360410 /nfs/dbraw/zinc/36/04/10/277360410.db2.gz UXGQJLYCBXDIIP-CVEARBPZSA-N 2 1 268.445 2.201 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1(C)C ZINC000185208890 277360564 /nfs/dbraw/zinc/36/05/64/277360564.db2.gz HBAYKSDOVQFJKP-GOEBONIOSA-N 2 1 277.412 2.441 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000181519128 277392238 /nfs/dbraw/zinc/39/22/38/277392238.db2.gz ZVVJVNDFIYAGOT-YESZJQIVSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000181519128 277392239 /nfs/dbraw/zinc/39/22/39/277392239.db2.gz ZVVJVNDFIYAGOT-YESZJQIVSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000181519128 277392240 /nfs/dbraw/zinc/39/22/40/277392240.db2.gz ZVVJVNDFIYAGOT-YESZJQIVSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000181519128 277392241 /nfs/dbraw/zinc/39/22/41/277392241.db2.gz ZVVJVNDFIYAGOT-YESZJQIVSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000181519128 277392242 /nfs/dbraw/zinc/39/22/42/277392242.db2.gz ZVVJVNDFIYAGOT-YESZJQIVSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000181519128 277392244 /nfs/dbraw/zinc/39/22/44/277392244.db2.gz ZVVJVNDFIYAGOT-YESZJQIVSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000181519128 277392245 /nfs/dbraw/zinc/39/22/45/277392245.db2.gz ZVVJVNDFIYAGOT-YESZJQIVSA-N 3 1 281.488 2.427 20 0 CEADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335166849 277847552 /nfs/dbraw/zinc/84/75/52/277847552.db2.gz CJNPXIBBYYITDC-AWEZNQCLSA-N 2 1 264.344 2.163 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)C2CCCCC2)CC[N@@H+]1C ZINC000245680618 278029503 /nfs/dbraw/zinc/02/95/03/278029503.db2.gz MNHGBOPWQDPSMK-FVQBIDKESA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)C2CCCCC2)CC[N@H+]1C ZINC000245680618 278029505 /nfs/dbraw/zinc/02/95/05/278029505.db2.gz MNHGBOPWQDPSMK-FVQBIDKESA-N 2 1 268.445 2.390 20 0 CEADMP CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339074448 278373199 /nfs/dbraw/zinc/37/31/99/278373199.db2.gz LPFUIDNTMJCCFB-KGLIPLIRSA-N 2 1 282.428 2.325 20 0 CEADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000343464318 288090983 /nfs/dbraw/zinc/09/09/83/288090983.db2.gz UHNAHPYUBIIYSS-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353594624 279161079 /nfs/dbraw/zinc/16/10/79/279161079.db2.gz NIYYTGUUJORGEL-QXSJWSMHSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@]1(C[NH2+]C2CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000415083572 279161557 /nfs/dbraw/zinc/16/15/57/279161557.db2.gz PXUYZDAEILMSDA-GOSISDBHSA-N 2 1 287.451 2.240 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000360723668 279171914 /nfs/dbraw/zinc/17/19/14/279171914.db2.gz VKIVDPBZBMPQPI-CABCVRRESA-N 2 1 265.401 2.375 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000360494602 279214965 /nfs/dbraw/zinc/21/49/65/279214965.db2.gz GJRZJJLPFSALGV-LBPRGKRZSA-N 2 1 276.428 2.396 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000171473715 279266479 /nfs/dbraw/zinc/26/64/79/279266479.db2.gz JFWXBFSUQHWXMJ-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414924648 279379322 /nfs/dbraw/zinc/37/93/22/279379322.db2.gz IWLBMADZKUJTPC-ZOWXZIJZSA-N 2 1 250.361 2.344 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000094368095 279395938 /nfs/dbraw/zinc/39/59/38/279395938.db2.gz CZDXGYUSHKUYGU-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000135296677 280041988 /nfs/dbraw/zinc/04/19/88/280041988.db2.gz ZPCKKTQWDKWAKE-CQSZACIVSA-N 2 1 299.459 2.221 20 0 CEADMP CN(CCOCC(F)F)CC[C@H]1CCCC[N@H+]1C ZINC000189433420 280149779 /nfs/dbraw/zinc/14/97/79/280149779.db2.gz HUTSYZCEYQBUBS-GFCCVEGCSA-N 2 1 264.360 2.074 20 0 CEADMP C[N@H+](CCOCC(F)F)CC[C@H]1CCCC[NH+]1C ZINC000189433420 280149781 /nfs/dbraw/zinc/14/97/81/280149781.db2.gz HUTSYZCEYQBUBS-GFCCVEGCSA-N 2 1 264.360 2.074 20 0 CEADMP C[NH+](CCOCC(F)F)CC[C@H]1CCCC[N@H+]1C ZINC000189433420 280149788 /nfs/dbraw/zinc/14/97/88/280149788.db2.gz HUTSYZCEYQBUBS-GFCCVEGCSA-N 2 1 264.360 2.074 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(CC)(CC)C[NH3+] ZINC000236909818 280248719 /nfs/dbraw/zinc/24/87/19/280248719.db2.gz GBLGOAGPGDOWLT-CQSZACIVSA-N 2 1 283.460 2.132 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000246035587 280270523 /nfs/dbraw/zinc/27/05/23/280270523.db2.gz MTYNYAKPSBCZHS-SUMWQHHRSA-N 2 1 292.471 2.289 20 0 CEADMP C[C@@H]1C[N@H+](CCn2ccnc2)C[C@@H](c2ccccc2)O1 ZINC000246533636 280299672 /nfs/dbraw/zinc/29/96/72/280299672.db2.gz JYEUKHSMZDYXPB-ZBFHGGJFSA-N 2 1 271.364 2.345 20 0 CEADMP C[C@@H]1C[N@@H+](CCn2ccnc2)C[C@@H](c2ccccc2)O1 ZINC000246533636 280299675 /nfs/dbraw/zinc/29/96/75/280299675.db2.gz JYEUKHSMZDYXPB-ZBFHGGJFSA-N 2 1 271.364 2.345 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000247069782 280319673 /nfs/dbraw/zinc/31/96/73/280319673.db2.gz OEGWBJAPOOIZLI-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000247069782 280319674 /nfs/dbraw/zinc/31/96/74/280319674.db2.gz OEGWBJAPOOIZLI-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000247069782 280319675 /nfs/dbraw/zinc/31/96/75/280319675.db2.gz OEGWBJAPOOIZLI-OAGGEKHMSA-N 2 1 267.461 2.038 20 0 CEADMP COCC[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000247103680 280320554 /nfs/dbraw/zinc/32/05/54/280320554.db2.gz QCGDRQSHUYEBKS-QLFBSQMISA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247111719 280320582 /nfs/dbraw/zinc/32/05/82/280320582.db2.gz TUDIKTFFNQDYDM-VQHPVUNQSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247111719 280320583 /nfs/dbraw/zinc/32/05/83/280320583.db2.gz TUDIKTFFNQDYDM-VQHPVUNQSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CN[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247111719 280320584 /nfs/dbraw/zinc/32/05/84/280320584.db2.gz TUDIKTFFNQDYDM-VQHPVUNQSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247111719 280320585 /nfs/dbraw/zinc/32/05/85/280320585.db2.gz TUDIKTFFNQDYDM-VQHPVUNQSA-N 3 1 281.488 2.425 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247111719 280320586 /nfs/dbraw/zinc/32/05/86/280320586.db2.gz TUDIKTFFNQDYDM-VQHPVUNQSA-N 3 1 281.488 2.425 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000247111719 280320587 /nfs/dbraw/zinc/32/05/87/280320587.db2.gz TUDIKTFFNQDYDM-VQHPVUNQSA-N 3 1 281.488 2.425 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247111719 280320588 /nfs/dbraw/zinc/32/05/88/280320588.db2.gz TUDIKTFFNQDYDM-VQHPVUNQSA-N 3 1 281.488 2.425 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000248067706 280342398 /nfs/dbraw/zinc/34/23/98/280342398.db2.gz ZTAAMMMOQLEUCO-ZFWWWQNUSA-N 2 1 290.407 2.278 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248854883 280368822 /nfs/dbraw/zinc/36/88/22/280368822.db2.gz VQYCKBBJXLTQDT-AGGWBTHJSA-N 2 1 265.401 2.205 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248854883 280368823 /nfs/dbraw/zinc/36/88/23/280368823.db2.gz VQYCKBBJXLTQDT-AGGWBTHJSA-N 2 1 265.401 2.205 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](C)[C@@H]2C)CC1 ZINC000249459621 280398328 /nfs/dbraw/zinc/39/83/28/280398328.db2.gz YZSYBOMIQHKRPF-HOTGVXAUSA-N 2 1 267.461 2.133 20 0 CEADMP CN(C)c1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422852418 280936372 /nfs/dbraw/zinc/93/63/72/280936372.db2.gz AMPRLXJGXJNNKE-HRCADAONSA-N 2 1 288.439 2.158 20 0 CEADMP C[C@@H]([NH3+])c1ccc(NC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC000422880926 280947016 /nfs/dbraw/zinc/94/70/16/280947016.db2.gz XUXWBLFBKFQMRN-LLVKDONJSA-N 2 1 284.363 2.420 20 0 CEADMP C[C@@H]([NH2+]CCCc1nccs1)c1c[nH+]ccc1N ZINC000422915631 280963504 /nfs/dbraw/zinc/96/35/04/280963504.db2.gz YUVLHEDKCXXZNT-SNVBAGLBSA-N 2 1 262.382 2.234 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C(=O)N1c1ccccc1 ZINC000422924257 280966932 /nfs/dbraw/zinc/96/69/32/280966932.db2.gz UAUATCNPDOICFL-JPHNIFDFSA-N 2 1 299.418 2.053 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422926832 280968506 /nfs/dbraw/zinc/96/85/06/280968506.db2.gz XPPMTOGEDVRPKU-NFAWXSAZSA-N 2 1 292.423 2.365 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000423039730 281006093 /nfs/dbraw/zinc/00/60/93/281006093.db2.gz RHUBJUGRJJYLEM-SRVKXCTJSA-N 2 1 253.415 2.367 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000423045796 281007499 /nfs/dbraw/zinc/00/74/99/281007499.db2.gz COSUPUBAYADZQX-NXEZZACHSA-N 2 1 280.803 2.442 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1(C)C ZINC000423048280 281009512 /nfs/dbraw/zinc/00/95/12/281009512.db2.gz IGTRKUZAZQQYKO-XDQVBPFNSA-N 2 1 254.418 2.166 20 0 CEADMP CC(C)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423061068 281015629 /nfs/dbraw/zinc/01/56/29/281015629.db2.gz PYBMSKUEEQRUCY-RBSFLKMASA-N 2 1 268.445 2.415 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)[N@H+]1CCCC[C@H]1C ZINC000423329626 281023159 /nfs/dbraw/zinc/02/31/59/281023159.db2.gz MYRNPVCYGBKJBY-KFWWJZLASA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccn(C)n1 ZINC000423382122 281027165 /nfs/dbraw/zinc/02/71/65/281027165.db2.gz JUXLQQWXHLAGQB-OAHLLOKOSA-N 2 1 270.380 2.264 20 0 CEADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423402475 281028850 /nfs/dbraw/zinc/02/88/50/281028850.db2.gz XRWSASZYMHISKW-REWIBIJMSA-N 2 1 282.428 2.229 20 0 CEADMP Cc1cccc(NCCNC(=O)c2ccc([C@@H](C)[NH3+])cc2)[nH+]1 ZINC000423417964 281035640 /nfs/dbraw/zinc/03/56/40/281035640.db2.gz HPEBTMKOKVGVTA-CYBMUJFWSA-N 2 1 298.390 2.252 20 0 CEADMP Cc1cc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CC2)ccc1F ZINC000423419087 281036186 /nfs/dbraw/zinc/03/61/86/281036186.db2.gz AJKVQCCBEQBNRM-CLWVCHIJSA-N 2 1 260.356 2.393 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)[C@H](C)[NH3+] ZINC000423434685 281040466 /nfs/dbraw/zinc/04/04/66/281040466.db2.gz DHVQMSHWCWUIDF-AXFHLTTASA-N 2 1 275.396 2.303 20 0 CEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)cc1 ZINC000423439594 281043062 /nfs/dbraw/zinc/04/30/62/281043062.db2.gz SLPLSKBUTHLBGX-KMLBCRHOSA-N 2 1 281.197 2.318 20 0 CEADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423445887 281044363 /nfs/dbraw/zinc/04/43/63/281044363.db2.gz YEQRGNPJQXLDTA-OHBODLIOSA-N 2 1 265.426 2.443 20 0 CEADMP CC[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000423476330 281052497 /nfs/dbraw/zinc/05/24/97/281052497.db2.gz SIXABRVOBWJCNS-HYVNUMGLSA-N 2 1 275.440 2.224 20 0 CEADMP Fc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CC2)cc1 ZINC000423493953 281054219 /nfs/dbraw/zinc/05/42/19/281054219.db2.gz RKZOBXDYUNOPTJ-HZPDHXFCSA-N 2 1 278.371 2.245 20 0 CEADMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1C[C@H]1C ZINC000423514916 281059284 /nfs/dbraw/zinc/05/92/84/281059284.db2.gz UNUDIZSFKLQHOC-LKRQVQDUSA-N 2 1 279.472 2.227 20 0 CEADMP CCc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C(C)C)cc1 ZINC000423514695 281059380 /nfs/dbraw/zinc/05/93/80/281059380.db2.gz MJISKQKULWWQIF-ROUUACIJSA-N 2 1 289.467 2.439 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cncn1C(C)C ZINC000424162361 281126542 /nfs/dbraw/zinc/12/65/42/281126542.db2.gz WSABKUBTKIWXHK-ZDUSSCGKSA-N 2 1 275.400 2.395 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000424300111 281143885 /nfs/dbraw/zinc/14/38/85/281143885.db2.gz JQSRUTNKOWLBHX-QQFBHYJXSA-N 2 1 296.455 2.286 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)o1 ZINC000424379753 281154229 /nfs/dbraw/zinc/15/42/29/281154229.db2.gz OZCKURCINOFYIS-GFCCVEGCSA-N 2 1 292.379 2.030 20 0 CEADMP COC(=O)c1coc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424384302 281155509 /nfs/dbraw/zinc/15/55/09/281155509.db2.gz VHYQSXMINUPKGS-LBPRGKRZSA-N 2 1 292.379 2.030 20 0 CEADMP Cc1cccc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c1C ZINC000057363661 281228008 /nfs/dbraw/zinc/22/80/08/281228008.db2.gz HAUOMVDLJRBZBP-KRWDZBQOSA-N 2 1 287.451 2.425 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)CC2(OC)CCC2)CC1 ZINC000429372190 281237400 /nfs/dbraw/zinc/23/74/00/281237400.db2.gz MFTRVGUGQHKKAQ-ZDUSSCGKSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430121805 281263362 /nfs/dbraw/zinc/26/33/62/281263362.db2.gz IZDOVYDMPNJMEN-RDJZCZTQSA-N 2 1 280.456 2.467 20 0 CEADMP C[C@@H](CC1CCOCC1)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430121805 281263365 /nfs/dbraw/zinc/26/33/65/281263365.db2.gz IZDOVYDMPNJMEN-RDJZCZTQSA-N 2 1 280.456 2.467 20 0 CEADMP C[C@@H](CC1CCOCC1)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430121805 281263367 /nfs/dbraw/zinc/26/33/67/281263367.db2.gz IZDOVYDMPNJMEN-RDJZCZTQSA-N 2 1 280.456 2.467 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000430705450 281274286 /nfs/dbraw/zinc/27/42/86/281274286.db2.gz AMQOFUCLGHXQDQ-RHSMWYFYSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H](C)[NH3+])c2C1 ZINC000430895976 281280238 /nfs/dbraw/zinc/28/02/38/281280238.db2.gz FJKZMBQJXKGPKR-LLVKDONJSA-N 2 1 261.369 2.088 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H](C)[NH3+])c2C1 ZINC000430895976 281280241 /nfs/dbraw/zinc/28/02/41/281280241.db2.gz FJKZMBQJXKGPKR-LLVKDONJSA-N 2 1 261.369 2.088 20 0 CEADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430931192 281281821 /nfs/dbraw/zinc/28/18/21/281281821.db2.gz VMTODWBQCYNDRI-ZIAGYGMSSA-N 2 1 297.402 2.447 20 0 CEADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430931192 281281823 /nfs/dbraw/zinc/28/18/23/281281823.db2.gz VMTODWBQCYNDRI-ZIAGYGMSSA-N 2 1 297.402 2.447 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430936204 281282711 /nfs/dbraw/zinc/28/27/11/281282711.db2.gz XXFSJEDYRCLLIW-AWEZNQCLSA-N 2 1 297.402 2.449 20 0 CEADMP C[NH2+]C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000430942307 281284368 /nfs/dbraw/zinc/28/43/68/281284368.db2.gz BXMIRQFZNMWAIB-UHFFFAOYSA-N 2 1 295.814 2.352 20 0 CEADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000246017007 281360543 /nfs/dbraw/zinc/36/05/43/281360543.db2.gz TZKHIDDWELMKAE-MJBXVCDLSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@@H](N(C)CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000435396596 281388269 /nfs/dbraw/zinc/38/82/69/281388269.db2.gz ZLHUTQDSYSCEDX-WBVHZDCISA-N 2 1 275.440 2.320 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000156320921 289193534 /nfs/dbraw/zinc/19/35/34/289193534.db2.gz UOJUDZHSFHMZBZ-AWEZNQCLSA-N 2 1 297.443 2.070 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000314478255 289283683 /nfs/dbraw/zinc/28/36/83/289283683.db2.gz BUSDHWJEEDIXEC-ZACQAIPSSA-N 2 1 291.439 2.368 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000314478255 289283684 /nfs/dbraw/zinc/28/36/84/289283684.db2.gz BUSDHWJEEDIXEC-ZACQAIPSSA-N 2 1 291.439 2.368 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCO[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248405438 290023371 /nfs/dbraw/zinc/02/33/71/290023371.db2.gz RJBPVMUAYJKCCT-RZLSGREXSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(NC(N)=O)cc1 ZINC000129527567 290052024 /nfs/dbraw/zinc/05/20/24/290052024.db2.gz QNCFOPGAJTZRKS-HUBLWGQQSA-N 2 1 290.411 2.168 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc(NC(N)=O)cc1 ZINC000129527567 290052027 /nfs/dbraw/zinc/05/20/27/290052027.db2.gz QNCFOPGAJTZRKS-HUBLWGQQSA-N 2 1 290.411 2.168 20 0 CEADMP Cn1c[nH+]cc1CCN1CCO[C@H](c2ccccc2F)C1 ZINC000459321313 290116344 /nfs/dbraw/zinc/11/63/44/290116344.db2.gz GJRFORCZTKHDCN-INIZCTEOSA-N 2 1 289.354 2.175 20 0 CEADMP CC(C)OC1CC([N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000459344159 290122727 /nfs/dbraw/zinc/12/27/27/290122727.db2.gz RGIZVUDXSHBRIZ-FHERZECASA-N 2 1 266.429 2.360 20 0 CEADMP COC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000459380244 290131744 /nfs/dbraw/zinc/13/17/44/290131744.db2.gz AWYWXKIYMKUYOU-OAHLLOKOSA-N 2 1 277.343 2.079 20 0 CEADMP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000459409001 290140098 /nfs/dbraw/zinc/14/00/98/290140098.db2.gz NPJWLVQVKXXCRX-LSDHHAIUSA-N 2 1 265.401 2.146 20 0 CEADMP CC(C)(C)OC(=O)CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459427079 290145104 /nfs/dbraw/zinc/14/51/04/290145104.db2.gz ODYPDAYKMXWMTM-UHFFFAOYSA-N 2 1 282.428 2.325 20 0 CEADMP FC(F)(F)CSCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459442633 290150669 /nfs/dbraw/zinc/15/06/69/290150669.db2.gz PIQBIDNMIWMFIM-UHFFFAOYSA-N 2 1 282.375 2.498 20 0 CEADMP Cc1cccn2c(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)cnc12 ZINC000459725178 290218531 /nfs/dbraw/zinc/21/85/31/290218531.db2.gz FRIWQLXQFXZPOM-OAHLLOKOSA-N 2 1 286.423 2.464 20 0 CEADMP Cc1ccc2nc(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)cn2c1 ZINC000459727969 290219346 /nfs/dbraw/zinc/21/93/46/290219346.db2.gz CGFMCXRNTFXJKC-HNNXBMFYSA-N 2 1 286.423 2.464 20 0 CEADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000475349526 290299645 /nfs/dbraw/zinc/29/96/45/290299645.db2.gz GWTVHDPWADARTL-RRFJBIMHSA-N 2 1 255.450 2.037 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000488417727 290397038 /nfs/dbraw/zinc/39/70/38/290397038.db2.gz WSROCANCCMTOQJ-DDBAPUKQSA-N 2 1 288.435 2.115 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000488417727 290397041 /nfs/dbraw/zinc/39/70/41/290397041.db2.gz WSROCANCCMTOQJ-DDBAPUKQSA-N 2 1 288.435 2.115 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CCC[NH+](C)C)cc(OC)c1OC ZINC000036984477 295018348 /nfs/dbraw/zinc/01/83/48/295018348.db2.gz ILWVUIBWEJRNIJ-GFCCVEGCSA-N 2 1 296.411 2.315 20 0 CEADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530176641 298045159 /nfs/dbraw/zinc/04/51/59/298045159.db2.gz DTYHCGIJLJHDFD-HUUCEWRRSA-N 2 1 293.455 2.042 20 0 CEADMP O[C@H](C[NH2+][C@H]1CCc2c1cccc2Cl)C[NH+]1CCCC1 ZINC000532212294 298136227 /nfs/dbraw/zinc/13/62/27/298136227.db2.gz GBSZNHSMCYTDQH-WBMJQRKESA-N 2 1 294.826 2.374 20 0 CEADMP C[C@@H](Cc1ccsc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000541235494 298276981 /nfs/dbraw/zinc/27/69/81/298276981.db2.gz MCIITMCLFCNHAL-AWEZNQCLSA-N 2 1 296.480 2.458 20 0 CEADMP C[C@@H](Cc1ccsc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000541235494 298276982 /nfs/dbraw/zinc/27/69/82/298276982.db2.gz MCIITMCLFCNHAL-AWEZNQCLSA-N 2 1 296.480 2.458 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000541846992 298286724 /nfs/dbraw/zinc/28/67/24/298286724.db2.gz UNPKJYQFSVAANA-HNNXBMFYSA-N 2 1 287.411 2.195 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000541846992 298286727 /nfs/dbraw/zinc/28/67/27/298286727.db2.gz UNPKJYQFSVAANA-HNNXBMFYSA-N 2 1 287.411 2.195 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC1([NH3+])CCCCCC1 ZINC000562956131 298725176 /nfs/dbraw/zinc/72/51/76/298725176.db2.gz HLTHVTWIBLJCHR-AWEZNQCLSA-N 2 1 276.428 2.439 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CSC[C@@H]1CN(C)CCO1 ZINC000566560823 299003018 /nfs/dbraw/zinc/00/30/18/299003018.db2.gz KLBIPYPYNOSCSV-GJZGRUSLSA-N 2 1 286.485 2.313 20 0 CEADMP CCc1ccc([C@H](COC)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000566747309 299021088 /nfs/dbraw/zinc/02/10/88/299021088.db2.gz FIUFIXUDOFQBGJ-DYEKYZERSA-N 2 1 266.385 2.389 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000566828133 299025641 /nfs/dbraw/zinc/02/56/41/299025641.db2.gz MJIHEUDTDBCZBB-AWEZNQCLSA-N 2 1 258.409 2.333 20 0 CEADMP Cc1c([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)cnn1C ZINC000360776903 301006362 /nfs/dbraw/zinc/00/63/62/301006362.db2.gz HXAPZUNZPANSSI-GOEBONIOSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1c([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cnn1C ZINC000360776903 301006365 /nfs/dbraw/zinc/00/63/65/301006365.db2.gz HXAPZUNZPANSSI-GOEBONIOSA-N 2 1 276.428 2.350 20 0 CEADMP Cc1c([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)cnn1C ZINC000360776903 301006367 /nfs/dbraw/zinc/00/63/67/301006367.db2.gz HXAPZUNZPANSSI-GOEBONIOSA-N 2 1 276.428 2.350 20 0 CEADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000414855385 533696626 /nfs/dbraw/zinc/69/66/26/533696626.db2.gz NBXRLFREXYBPPR-CHWSQXEVSA-N 2 1 278.396 2.182 20 0 CEADMP [NH3+][C@H]1CCC[C@@H](NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000517588894 313112461 /nfs/dbraw/zinc/11/24/61/313112461.db2.gz UJDXVLFDLLZKQR-LSDHHAIUSA-N 2 1 297.512 2.208 20 0 CEADMP COC[C@@H](C)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000527106400 313166393 /nfs/dbraw/zinc/16/63/93/313166393.db2.gz IWZRVXJYGDWAIF-AWEZNQCLSA-N 2 1 256.434 2.321 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccn1 ZINC000527537814 313181308 /nfs/dbraw/zinc/18/13/08/313181308.db2.gz GDHFHFPEOWQNJS-CQSZACIVSA-N 2 1 256.353 2.493 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2CC[NH+]2C2CCCC2)CC[N@H+]1C ZINC000528007672 313223936 /nfs/dbraw/zinc/22/39/36/313223936.db2.gz BPXAGQNDUYRZTH-IJEWVQPXSA-N 2 1 265.445 2.076 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000534219281 313377081 /nfs/dbraw/zinc/37/70/81/313377081.db2.gz ARTZPZJEYLVNEY-OAHLLOKOSA-N 2 1 287.407 2.465 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC000534219281 313377082 /nfs/dbraw/zinc/37/70/82/313377082.db2.gz ARTZPZJEYLVNEY-OAHLLOKOSA-N 2 1 287.407 2.465 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CO)c1ccccc1C ZINC000542908134 313453181 /nfs/dbraw/zinc/45/31/81/313453181.db2.gz CWVSTVTXQAZUFQ-MRXNPFEDSA-N 2 1 273.380 2.213 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000569603587 314003403 /nfs/dbraw/zinc/00/34/03/314003403.db2.gz SMQFRWYXRLWRCC-HNNXBMFYSA-N 2 1 275.396 2.219 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)C1CCCCC1 ZINC000569700107 314011141 /nfs/dbraw/zinc/01/11/41/314011141.db2.gz GGBRNNBZBZGHEZ-SOUVJXGZSA-N 2 1 254.418 2.035 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000570320931 314032882 /nfs/dbraw/zinc/03/28/82/314032882.db2.gz OXSPJSSIRDFYEI-KGLIPLIRSA-N 2 1 276.380 2.207 20 0 CEADMP Cc1ccccc1[C@@H]1C[N@@H+](CCc2cncn2C)CCO1 ZINC000570609585 314048332 /nfs/dbraw/zinc/04/83/32/314048332.db2.gz RULIPYAJCLTYLI-KRWDZBQOSA-N 2 1 285.391 2.345 20 0 CEADMP Cc1ccccc1[C@@H]1CN(CCc2cncn2C)CCO1 ZINC000570609585 314048336 /nfs/dbraw/zinc/04/83/36/314048336.db2.gz RULIPYAJCLTYLI-KRWDZBQOSA-N 2 1 285.391 2.345 20 0 CEADMP [NH3+]Cc1noc([C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC000572036059 314117595 /nfs/dbraw/zinc/11/75/95/314117595.db2.gz DIGLIUDSOUXOPK-RHSMWYFYSA-N 2 1 298.390 2.082 20 0 CEADMP [NH3+]Cc1noc([C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC000572036059 314117599 /nfs/dbraw/zinc/11/75/99/314117599.db2.gz DIGLIUDSOUXOPK-RHSMWYFYSA-N 2 1 298.390 2.082 20 0 CEADMP OCC1([NH2+]CC2CC2)CC[NH+](CC2=CCCCC2)CC1 ZINC000573094379 314140440 /nfs/dbraw/zinc/14/04/40/314140440.db2.gz OLLXATVICRYBTC-UHFFFAOYSA-N 2 1 278.440 2.313 20 0 CEADMP Cc1[nH+]cc(CNc2ccc(CC[NH+](C)C)cc2)n1C ZINC000573220810 314147141 /nfs/dbraw/zinc/14/71/41/314147141.db2.gz OHRNNDZKBMTIKQ-UHFFFAOYSA-N 2 1 272.396 2.445 20 0 CEADMP C[C@H](CCNC(=O)C[N@H+]1CCC(C)(C)C1)[NH+]1CCCCC1 ZINC000575194121 314214156 /nfs/dbraw/zinc/21/41/56/314214156.db2.gz BBHKLHOKLUKUOO-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)C[C@@]1(CO)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000576594099 314292172 /nfs/dbraw/zinc/29/21/72/314292172.db2.gz GECUNQCNJMDGOU-MRXNPFEDSA-N 2 1 279.428 2.226 20 0 CEADMP CC(C)C[C@@]1(CO)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000576594099 314292176 /nfs/dbraw/zinc/29/21/76/314292176.db2.gz GECUNQCNJMDGOU-MRXNPFEDSA-N 2 1 279.428 2.226 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCc2cncn2C)C1 ZINC000577408485 314374761 /nfs/dbraw/zinc/37/47/61/314374761.db2.gz YZXIFAZCJYFEIC-HNNXBMFYSA-N 2 1 278.444 2.016 20 0 CEADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000577470800 314380358 /nfs/dbraw/zinc/38/03/58/314380358.db2.gz NTJZEFLOBHMJAX-OLZOCXBDSA-N 2 1 272.396 2.226 20 0 CEADMP NC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)C1CCCCC1 ZINC000577641408 314399210 /nfs/dbraw/zinc/39/92/10/314399210.db2.gz HZUPMZPJRCEGRK-GOSISDBHSA-N 2 1 287.451 2.330 20 0 CEADMP COc1nc2ccccc2cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000578619065 314498273 /nfs/dbraw/zinc/49/82/73/314498273.db2.gz NYKUQJYGEJDZBN-IUODEOHRSA-N 2 1 285.391 2.331 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccnn1C ZINC000192931863 321798727 /nfs/dbraw/zinc/79/87/27/321798727.db2.gz HLBSMQJZLCOENT-CYBMUJFWSA-N 2 1 276.428 2.478 20 0 CEADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000580841160 322348856 /nfs/dbraw/zinc/34/88/56/322348856.db2.gz CTTLMBARAXNYOS-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CC[NH+](CC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000580841160 322348859 /nfs/dbraw/zinc/34/88/59/322348859.db2.gz CTTLMBARAXNYOS-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000580841160 322348862 /nfs/dbraw/zinc/34/88/62/322348862.db2.gz CTTLMBARAXNYOS-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H](C[NH3+])C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000581010559 322362302 /nfs/dbraw/zinc/36/23/02/322362302.db2.gz QVKSSCYRRSJZBJ-LLVKDONJSA-N 2 1 296.440 2.052 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000581318452 322386882 /nfs/dbraw/zinc/38/68/82/322386882.db2.gz TUASTGFKRAJVAQ-KKUMJFAQSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000581318452 322386883 /nfs/dbraw/zinc/38/68/83/322386883.db2.gz TUASTGFKRAJVAQ-KKUMJFAQSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000581318452 322386886 /nfs/dbraw/zinc/38/68/86/322386886.db2.gz TUASTGFKRAJVAQ-KKUMJFAQSA-N 2 1 256.434 2.200 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)CCC(C)C ZINC000581483403 322399707 /nfs/dbraw/zinc/39/97/07/322399707.db2.gz JZQWEBZVVBOCOV-HIFRSBDPSA-N 2 1 267.417 2.214 20 0 CEADMP COC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000582733666 322498705 /nfs/dbraw/zinc/49/87/05/322498705.db2.gz KTPKHTKSPOYHBP-INIZCTEOSA-N 2 1 291.370 2.469 20 0 CEADMP COC(=O)C[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000560936618 327353306 /nfs/dbraw/zinc/35/33/06/327353306.db2.gz WWPSMWIXNWHBMP-HOCLYGCPSA-N 2 1 290.407 2.050 20 0 CEADMP COC(=O)C[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000560936618 327353308 /nfs/dbraw/zinc/35/33/08/327353308.db2.gz WWPSMWIXNWHBMP-HOCLYGCPSA-N 2 1 290.407 2.050 20 0 CEADMP C/C(=C/c1ccccc1)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000236700627 518414330 /nfs/dbraw/zinc/41/43/30/518414330.db2.gz GVHDPAMYPQAYNS-JBXOJTMHSA-N 2 1 274.408 2.136 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000067574551 519608020 /nfs/dbraw/zinc/60/80/20/519608020.db2.gz DDEKNSDQKUMIAT-OAHLLOKOSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[NH+](C)CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000067574551 519608025 /nfs/dbraw/zinc/60/80/25/519608025.db2.gz DDEKNSDQKUMIAT-OAHLLOKOSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[NH+](C)CC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000067574551 519608027 /nfs/dbraw/zinc/60/80/27/519608027.db2.gz DDEKNSDQKUMIAT-OAHLLOKOSA-N 2 1 283.460 2.097 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C12CCC2 ZINC000363695766 520427706 /nfs/dbraw/zinc/42/77/06/520427706.db2.gz RZORSZLOBPMPAE-QLFBSQMISA-N 2 1 289.423 2.383 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000365191369 520605367 /nfs/dbraw/zinc/60/53/67/520605367.db2.gz RNDNOCPRNPHMCI-UHFFFAOYSA-N 2 1 264.417 2.321 20 0 CEADMP CCN(CC)c1ncc(C[NH2+][C@@H](C)CC[NH+](C)C)s1 ZINC000049554059 520934484 /nfs/dbraw/zinc/93/44/84/520934484.db2.gz BVHCRAHDMMWZNX-LBPRGKRZSA-N 2 1 284.473 2.419 20 0 CEADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C(C)C)cc2)CC1 ZINC000052422469 521688012 /nfs/dbraw/zinc/68/80/12/521688012.db2.gz NCYOMNAWTPTWMM-UHFFFAOYSA-N 2 1 275.440 2.322 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)[C@H](C)C1 ZINC000157932516 521715283 /nfs/dbraw/zinc/71/52/83/521715283.db2.gz IVVQAFJQTZYUSR-MIGQKNRLSA-N 2 1 266.429 2.264 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@](C)(O)c1cccs1 ZINC000185205322 522311960 /nfs/dbraw/zinc/31/19/60/522311960.db2.gz JDHLSFQPMZXLHX-HNNXBMFYSA-N 2 1 291.420 2.206 20 0 CEADMP COC[C@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)C1CC1 ZINC000163544727 522730765 /nfs/dbraw/zinc/73/07/65/522730765.db2.gz AEHZTHLMSYXYMC-INIZCTEOSA-N 2 1 289.423 2.373 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000161551478 524560078 /nfs/dbraw/zinc/56/00/78/524560078.db2.gz WWESVZIAVKVXTP-GJZGRUSLSA-N 2 1 286.423 2.356 20 0 CEADMP c1cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000157893967 526420441 /nfs/dbraw/zinc/42/04/41/526420441.db2.gz DLDBZNJZRHRBTH-IAGOWNOFSA-N 2 1 286.419 2.380 20 0 CEADMP CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000357850128 527178139 /nfs/dbraw/zinc/17/81/39/527178139.db2.gz MNZXTUFIVXQZCQ-CVEARBPZSA-N 2 1 279.472 2.325 20 0 CEADMP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000357850128 527178144 /nfs/dbraw/zinc/17/81/44/527178144.db2.gz MNZXTUFIVXQZCQ-CVEARBPZSA-N 3 1 279.472 2.325 20 0 CEADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000357850128 527178149 /nfs/dbraw/zinc/17/81/49/527178149.db2.gz MNZXTUFIVXQZCQ-CVEARBPZSA-N 3 1 279.472 2.325 20 0 CEADMP CC(C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000357850144 527180142 /nfs/dbraw/zinc/18/01/42/527180142.db2.gz MNZXTUFIVXQZCQ-HOTGVXAUSA-N 2 1 279.472 2.325 20 0 CEADMP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000357850144 527180146 /nfs/dbraw/zinc/18/01/46/527180146.db2.gz MNZXTUFIVXQZCQ-HOTGVXAUSA-N 3 1 279.472 2.325 20 0 CEADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000357850144 527180149 /nfs/dbraw/zinc/18/01/49/527180149.db2.gz MNZXTUFIVXQZCQ-HOTGVXAUSA-N 3 1 279.472 2.325 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000363472613 527399997 /nfs/dbraw/zinc/39/99/97/527399997.db2.gz SAAXHPIXYDXPSE-HOTGVXAUSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000363472613 527400002 /nfs/dbraw/zinc/40/00/02/527400002.db2.gz SAAXHPIXYDXPSE-HOTGVXAUSA-N 2 1 277.412 2.330 20 0 CEADMP CC1(C)Cc2cc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc2O1 ZINC000357056236 527773886 /nfs/dbraw/zinc/77/38/86/527773886.db2.gz SJWCAZWXPXIEMC-GDBMZVCRSA-N 2 1 286.419 2.441 20 0 CEADMP CC1(C)Cc2cc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc2O1 ZINC000357056236 527773894 /nfs/dbraw/zinc/77/38/94/527773894.db2.gz SJWCAZWXPXIEMC-GDBMZVCRSA-N 2 1 286.419 2.441 20 0 CEADMP CCC[N@@H+](CCOCC[NH3+])[C@H]1C[C@H](OCC)C12CCCC2 ZINC000357105291 528101281 /nfs/dbraw/zinc/10/12/81/528101281.db2.gz NUMDMIWQTHISRX-HOTGVXAUSA-N 2 1 298.471 2.412 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2cncs2)C1 ZINC000411300305 528175671 /nfs/dbraw/zinc/17/56/71/528175671.db2.gz PXVGMBCQGHFRRF-ZDUSSCGKSA-N 2 1 267.442 2.349 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2cncs2)C1 ZINC000411300305 528175676 /nfs/dbraw/zinc/17/56/76/528175676.db2.gz PXVGMBCQGHFRRF-ZDUSSCGKSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000357514190 528218886 /nfs/dbraw/zinc/21/88/86/528218886.db2.gz HARITNIJWAREMD-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CCCNC(=O)[C@H](C)[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000191480613 528434397 /nfs/dbraw/zinc/43/43/97/528434397.db2.gz LLYOJWINERDESO-AWEZNQCLSA-N 2 1 294.443 2.072 20 0 CEADMP CCCNC(=O)[C@H](C)[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000191480613 528434399 /nfs/dbraw/zinc/43/43/99/528434399.db2.gz LLYOJWINERDESO-AWEZNQCLSA-N 2 1 294.443 2.072 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000414711859 528553018 /nfs/dbraw/zinc/55/30/18/528553018.db2.gz SYGXICADLQHHDV-DOTOQJQBSA-N 2 1 298.471 2.410 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000357383878 528565982 /nfs/dbraw/zinc/56/59/82/528565982.db2.gz SOZQSRIPPDUQRP-LSDHHAIUSA-N 2 1 297.487 2.247 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CCC2(O)CCC2)CC1 ZINC000411115584 528990915 /nfs/dbraw/zinc/99/09/15/528990915.db2.gz DJTYEUGLTTVBNP-UHFFFAOYSA-N 2 1 254.418 2.096 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2[C@@H](C)CCC2(C)C)CC1 ZINC000411798502 528996107 /nfs/dbraw/zinc/99/61/07/528996107.db2.gz AALXGTRXTXTGIN-AWEZNQCLSA-N 2 1 295.471 2.238 20 0 CEADMP CCOC(=O)CCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312825488 535627839 /nfs/dbraw/zinc/62/78/39/535627839.db2.gz NHLDIXMCPAHYBN-GASCZTMLSA-N 2 1 282.428 2.041 20 0 CEADMP C[NH+]1CCC([NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC000191516375 536344301 /nfs/dbraw/zinc/34/43/01/536344301.db2.gz ZLJBRXNFIVRSIV-UHFFFAOYSA-N 2 1 254.324 2.191 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000732269204 574616364 /nfs/dbraw/zinc/61/63/64/574616364.db2.gz QXFOMEBPMMPTKM-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CCC)CC1 ZINC000732278118 574617210 /nfs/dbraw/zinc/61/72/10/574617210.db2.gz YPNIHLUPMLCSOE-UHFFFAOYSA-N 2 1 283.460 2.053 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CCC)CC1 ZINC000732278118 574617211 /nfs/dbraw/zinc/61/72/11/574617211.db2.gz YPNIHLUPMLCSOE-UHFFFAOYSA-N 2 1 283.460 2.053 20 0 CEADMP CC[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000734058682 574699462 /nfs/dbraw/zinc/69/94/62/574699462.db2.gz XKSMGVIAAICHBS-AEFFLSMTSA-N 2 1 288.435 2.453 20 0 CEADMP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000734058682 574699466 /nfs/dbraw/zinc/69/94/66/574699466.db2.gz XKSMGVIAAICHBS-AEFFLSMTSA-N 2 1 288.435 2.453 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000742902564 575037086 /nfs/dbraw/zinc/03/70/86/575037086.db2.gz YRYQLSAFKYLOQO-MRXNPFEDSA-N 2 1 297.487 2.441 20 0 CEADMP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)C[NH+]2CCCC2)C1 ZINC000743869135 575111675 /nfs/dbraw/zinc/11/16/75/575111675.db2.gz LZZQNUDHMDVAKL-SOUVJXGZSA-N 2 1 286.485 2.049 20 0 CEADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@H](O)C[NH+]2CCCC2)C1 ZINC000743869135 575111677 /nfs/dbraw/zinc/11/16/77/575111677.db2.gz LZZQNUDHMDVAKL-SOUVJXGZSA-N 2 1 286.485 2.049 20 0 CEADMP COC(=O)/C(C)=C/C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000748812090 575197093 /nfs/dbraw/zinc/19/70/93/575197093.db2.gz DVDRRJXMFKZOLE-MKMNVTDBSA-N 2 1 282.428 2.158 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCCCCO)C1 ZINC000750185582 575253162 /nfs/dbraw/zinc/25/31/62/575253162.db2.gz OSOWJAYOHMWMCT-MRXNPFEDSA-N 2 1 268.445 2.203 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCCCCO)C1 ZINC000750185582 575253163 /nfs/dbraw/zinc/25/31/63/575253163.db2.gz OSOWJAYOHMWMCT-MRXNPFEDSA-N 2 1 268.445 2.203 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCCCCO)C1 ZINC000750185582 575253165 /nfs/dbraw/zinc/25/31/65/575253165.db2.gz OSOWJAYOHMWMCT-MRXNPFEDSA-N 2 1 268.445 2.203 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000753706373 575336406 /nfs/dbraw/zinc/33/64/06/575336406.db2.gz LNHBZVVKFBAOFT-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000753706373 575336408 /nfs/dbraw/zinc/33/64/08/575336408.db2.gz LNHBZVVKFBAOFT-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000753706373 575336410 /nfs/dbraw/zinc/33/64/10/575336410.db2.gz LNHBZVVKFBAOFT-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972074097 614068151 /nfs/dbraw/zinc/06/81/51/614068151.db2.gz WSPJEAPPCHZQIW-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC000960629462 614261353 /nfs/dbraw/zinc/26/13/53/614261353.db2.gz RDALICONYKQFEJ-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000960629462 614261354 /nfs/dbraw/zinc/26/13/54/614261354.db2.gz RDALICONYKQFEJ-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000960629462 614261355 /nfs/dbraw/zinc/26/13/55/614261355.db2.gz RDALICONYKQFEJ-JKSUJKDBSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775844 614336123 /nfs/dbraw/zinc/33/61/23/614336123.db2.gz SOLBMCQBSORUBM-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000948775844 614336124 /nfs/dbraw/zinc/33/61/24/614336124.db2.gz SOLBMCQBSORUBM-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000948775844 614336125 /nfs/dbraw/zinc/33/61/25/614336125.db2.gz SOLBMCQBSORUBM-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942558467 614384024 /nfs/dbraw/zinc/38/40/24/614384024.db2.gz WVWTWGWQSIEGBD-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000971682333 614544127 /nfs/dbraw/zinc/54/41/27/614544127.db2.gz NSYPHVRSCXHJPJ-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971682333 614544129 /nfs/dbraw/zinc/54/41/29/614544129.db2.gz NSYPHVRSCXHJPJ-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971682333 614544130 /nfs/dbraw/zinc/54/41/30/614544130.db2.gz NSYPHVRSCXHJPJ-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C1C[NH+](CC(C)C)C1 ZINC000957422407 614617483 /nfs/dbraw/zinc/61/74/83/614617483.db2.gz YHHUZOYSDOMSAN-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C1C[NH+](CC(C)C)C1 ZINC000957422407 614617487 /nfs/dbraw/zinc/61/74/87/614617487.db2.gz YHHUZOYSDOMSAN-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947774558 614711184 /nfs/dbraw/zinc/71/11/84/614711184.db2.gz BKXGCSONKZOZPU-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000960642806 614868869 /nfs/dbraw/zinc/86/88/69/614868869.db2.gz QFAUVQOCMNVAPQ-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC000960021959 615088417 /nfs/dbraw/zinc/08/84/17/615088417.db2.gz HIEWTPMCDSWLTH-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947310042 615208556 /nfs/dbraw/zinc/20/85/56/615208556.db2.gz KOUAVOKXNZRXGW-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000977214559 615357676 /nfs/dbraw/zinc/35/76/76/615357676.db2.gz FFVAAOJWXZHGPF-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1)[NH+](C)C ZINC000972353475 615374270 /nfs/dbraw/zinc/37/42/70/615374270.db2.gz GUHPYMZYMQVNHF-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(NC[C@H]3CCC[N@H+](C)C3)c12 ZINC000892421476 625342612 /nfs/dbraw/zinc/34/26/12/625342612.db2.gz KXFRZPLJMXWTSR-LLVKDONJSA-N 2 1 273.384 2.226 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(NC[C@H]3CCC[N@@H+](C)C3)c12 ZINC000892421476 625342613 /nfs/dbraw/zinc/34/26/13/625342613.db2.gz KXFRZPLJMXWTSR-LLVKDONJSA-N 2 1 273.384 2.226 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCCCCO)C1 ZINC000175777772 622872377 /nfs/dbraw/zinc/87/23/77/622872377.db2.gz NFRDPIDQSQLFFK-HNNXBMFYSA-N 2 1 256.434 2.203 20 0 CEADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1CC[NH+](CCOC)CC1 ZINC000090461477 623207653 /nfs/dbraw/zinc/20/76/53/623207653.db2.gz JODWDQKVRIPNEX-JKSUJKDBSA-N 2 1 298.471 2.281 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1OC(F)F ZINC000050245211 623373048 /nfs/dbraw/zinc/37/30/48/623373048.db2.gz QRVPQVWZUUBXAL-LLVKDONJSA-N 2 1 286.322 2.077 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1OC(F)F ZINC000050245211 623373054 /nfs/dbraw/zinc/37/30/54/623373054.db2.gz QRVPQVWZUUBXAL-LLVKDONJSA-N 2 1 286.322 2.077 20 0 CEADMP COC1(OC)CC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926119526 623420353 /nfs/dbraw/zinc/42/03/53/623420353.db2.gz LHTKKHWFPLBXAI-YCPHGPKFSA-N 2 1 296.455 2.381 20 0 CEADMP COC1(OC)CC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000926119526 623420356 /nfs/dbraw/zinc/42/03/56/623420356.db2.gz LHTKKHWFPLBXAI-YCPHGPKFSA-N 2 1 296.455 2.381 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C12CCC2 ZINC000308360507 623674452 /nfs/dbraw/zinc/67/44/52/623674452.db2.gz GGGCXYUKMFXFTO-QLFBSQMISA-N 2 1 266.429 2.264 20 0 CEADMP Cc1cc(N)nc(NC[C@H](c2ccco2)[NH+]2CCCC2)[nH+]1 ZINC000891493239 623745161 /nfs/dbraw/zinc/74/51/61/623745161.db2.gz MKBCTCYKBZHKSP-GFCCVEGCSA-N 2 1 287.367 2.209 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCC(C)(C)[NH3+] ZINC000891533455 623766281 /nfs/dbraw/zinc/76/62/81/623766281.db2.gz XUQHVCHDLHAPIY-AWEZNQCLSA-N 2 1 298.475 2.068 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCC4(CCC4)CO3)C[C@]2(C)C1 ZINC000933733341 623983053 /nfs/dbraw/zinc/98/30/53/623983053.db2.gz CLBVPIDVHLYDLJ-OAGGEKHMSA-N 2 1 278.440 2.219 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCC4(CCC4)CO3)C[C@]2(C)C1 ZINC000933733341 623983058 /nfs/dbraw/zinc/98/30/58/623983058.db2.gz CLBVPIDVHLYDLJ-OAGGEKHMSA-N 2 1 278.440 2.219 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCC4(CCC4)CO3)C[C@]2(C)C1 ZINC000933733341 623983060 /nfs/dbraw/zinc/98/30/60/623983060.db2.gz CLBVPIDVHLYDLJ-OAGGEKHMSA-N 2 1 278.440 2.219 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCC4(CCC4)CO3)C[C@]2(C)C1 ZINC000933733341 623983064 /nfs/dbraw/zinc/98/30/64/623983064.db2.gz CLBVPIDVHLYDLJ-OAGGEKHMSA-N 2 1 278.440 2.219 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC000235697280 625713481 /nfs/dbraw/zinc/71/34/81/625713481.db2.gz GPGICNZTYOLLNV-NWDGAFQWSA-N 2 1 250.411 2.494 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934829625 624835280 /nfs/dbraw/zinc/83/52/80/624835280.db2.gz AYJOISIEVSDMGX-HZPDHXFCSA-N 2 1 291.439 2.491 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934829625 624835284 /nfs/dbraw/zinc/83/52/84/624835284.db2.gz AYJOISIEVSDMGX-HZPDHXFCSA-N 2 1 291.439 2.491 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934829623 624835713 /nfs/dbraw/zinc/83/57/13/624835713.db2.gz AYJOISIEVSDMGX-HOTGVXAUSA-N 2 1 291.439 2.491 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934829623 624835717 /nfs/dbraw/zinc/83/57/17/624835717.db2.gz AYJOISIEVSDMGX-HOTGVXAUSA-N 2 1 291.439 2.491 20 0 CEADMP CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023364405 624997042 /nfs/dbraw/zinc/99/70/42/624997042.db2.gz KFRLBTDPWIZGJW-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023364405 624997043 /nfs/dbraw/zinc/99/70/43/624997043.db2.gz KFRLBTDPWIZGJW-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001023364405 624997044 /nfs/dbraw/zinc/99/70/44/624997044.db2.gz KFRLBTDPWIZGJW-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)o1 ZINC000892509912 625741644 /nfs/dbraw/zinc/74/16/44/625741644.db2.gz FBFVKEYNKVIGFB-NSHDSACASA-N 2 1 263.341 2.219 20 0 CEADMP CS[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820829444 634544468 /nfs/dbraw/zinc/54/44/68/634544468.db2.gz JIUYFJQUROQQMS-CRMUJIHISA-N 2 1 254.443 2.485 20 0 CEADMP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000892576921 627284290 /nfs/dbraw/zinc/28/42/90/627284290.db2.gz LGZHXDWKJYWYIB-LSDHHAIUSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000892576921 627284293 /nfs/dbraw/zinc/28/42/93/627284293.db2.gz LGZHXDWKJYWYIB-LSDHHAIUSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000892583227 627290094 /nfs/dbraw/zinc/29/00/94/627290094.db2.gz ARZZHUKSDZQEGT-INIZCTEOSA-N 3 1 281.488 2.430 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000161000088 627297607 /nfs/dbraw/zinc/29/76/07/627297607.db2.gz NOFAFXWDLPESQL-HOTGVXAUSA-N 3 1 267.461 2.323 20 0 CEADMP c1cn2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)sc2n1 ZINC000892606363 627305682 /nfs/dbraw/zinc/30/56/82/627305682.db2.gz AGLOHCYZJAHZAJ-NEPJUHHUSA-N 2 1 276.409 2.112 20 0 CEADMP c1cn2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)sc2n1 ZINC000892606363 627305683 /nfs/dbraw/zinc/30/56/83/627305683.db2.gz AGLOHCYZJAHZAJ-NEPJUHHUSA-N 2 1 276.409 2.112 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000892622929 627319886 /nfs/dbraw/zinc/31/98/86/627319886.db2.gz LKEJBTGLPNKVBE-UHFFFAOYSA-N 2 1 277.387 2.493 20 0 CEADMP CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001025105292 627334730 /nfs/dbraw/zinc/33/47/30/627334730.db2.gz SHJLYJJAAZDMSP-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP COC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000311060473 627360154 /nfs/dbraw/zinc/36/01/54/627360154.db2.gz KBHKNAHLHMTFCR-AGUYFDCRSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000311254433 627396335 /nfs/dbraw/zinc/39/63/35/627396335.db2.gz VHYWCENDSVKGCX-GOEBONIOSA-N 2 1 262.397 2.136 20 0 CEADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000311254433 627396339 /nfs/dbraw/zinc/39/63/39/627396339.db2.gz VHYWCENDSVKGCX-GOEBONIOSA-N 2 1 262.397 2.136 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346413 634586164 /nfs/dbraw/zinc/58/61/64/634586164.db2.gz LPSAPCSHCUQQKN-GJZGRUSLSA-N 2 1 267.461 2.229 20 0 CEADMP CCN1CCCC[C@H]1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346413 634586167 /nfs/dbraw/zinc/58/61/67/634586167.db2.gz LPSAPCSHCUQQKN-GJZGRUSLSA-N 2 1 267.461 2.229 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC2(C1)CCCCC2 ZINC000311395029 627651568 /nfs/dbraw/zinc/65/15/68/627651568.db2.gz SBCJUVUZRUCCMZ-OAHLLOKOSA-N 2 1 266.429 2.099 20 0 CEADMP Cc1cc(N)nc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)[nH+]1 ZINC000892703085 627693080 /nfs/dbraw/zinc/69/30/80/627693080.db2.gz JDPDXBNESJOSJO-OAHLLOKOSA-N 2 1 297.406 2.078 20 0 CEADMP Cc1cc(N)nc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)[nH+]1 ZINC000892703085 627693083 /nfs/dbraw/zinc/69/30/83/627693083.db2.gz JDPDXBNESJOSJO-OAHLLOKOSA-N 2 1 297.406 2.078 20 0 CEADMP C[C@H](CO)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000678045888 627693822 /nfs/dbraw/zinc/69/38/22/627693822.db2.gz QKKKWGAAYRGTNQ-JYJNAYRXSA-N 2 1 268.445 2.201 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc(N)[nH+]cc2Cl)C1 ZINC000892730922 627733221 /nfs/dbraw/zinc/73/32/21/627733221.db2.gz LVSWZDWGAZZNDQ-JTQLQIEISA-N 2 1 268.792 2.095 20 0 CEADMP C[C@H]1CCC[N@@H+](CCN[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902337478 634598155 /nfs/dbraw/zinc/59/81/55/634598155.db2.gz HLFJMDSWPCNOGZ-LSDHHAIUSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@H]1CCCN(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902337478 634598160 /nfs/dbraw/zinc/59/81/60/634598160.db2.gz HLFJMDSWPCNOGZ-LSDHHAIUSA-N 2 1 267.461 2.086 20 0 CEADMP CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000118760656 627919593 /nfs/dbraw/zinc/91/95/93/627919593.db2.gz MBAWCWAGEBGEBR-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cnc1F ZINC000893093994 627996691 /nfs/dbraw/zinc/99/66/91/627996691.db2.gz CIBWESPGJDBEKK-KGLIPLIRSA-N 2 1 265.376 2.492 20 0 CEADMP Cc1cc(F)ncc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000893094193 627996717 /nfs/dbraw/zinc/99/67/17/627996717.db2.gz GIYIFCJKKDLMRU-KGLIPLIRSA-N 2 1 265.376 2.492 20 0 CEADMP CC[NH+]1CCC(CCN[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925518087 628063993 /nfs/dbraw/zinc/06/39/93/628063993.db2.gz PRHJYZIAVOAFDS-MRXNPFEDSA-N 2 1 279.472 2.373 20 0 CEADMP CCc1cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)on1 ZINC000925519530 628071105 /nfs/dbraw/zinc/07/11/05/628071105.db2.gz DFANOUFOGOUFHZ-JQWIXIFHSA-N 2 1 251.374 2.233 20 0 CEADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccccc1)[C@@H](C)N ZINC000925539662 628161526 /nfs/dbraw/zinc/16/15/26/628161526.db2.gz CKLJPOZMMZRFRT-OIISXLGYSA-N 2 1 293.455 2.021 20 0 CEADMP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)cn1 ZINC000925570564 628243598 /nfs/dbraw/zinc/24/35/98/628243598.db2.gz BFWABQCTYNFEGR-HNNXBMFYSA-N 2 1 259.397 2.197 20 0 CEADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925571533 628245475 /nfs/dbraw/zinc/24/54/75/628245475.db2.gz DYWSZBWJGLZCCK-KNPMLCFXSA-N 2 1 280.387 2.368 20 0 CEADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925613445 628295348 /nfs/dbraw/zinc/29/53/48/628295348.db2.gz DDGILQISRUZPMT-KKBNMRFBSA-N 2 1 292.448 2.146 20 0 CEADMP CCCCC[N@H+](C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000311116122 628365843 /nfs/dbraw/zinc/36/58/43/628365843.db2.gz WKHPCOLGMWAQSX-OAHLLOKOSA-N 2 1 256.434 2.344 20 0 CEADMP CCCCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000311116122 628365846 /nfs/dbraw/zinc/36/58/46/628365846.db2.gz WKHPCOLGMWAQSX-OAHLLOKOSA-N 2 1 256.434 2.344 20 0 CEADMP C[C@@](O)(CC[NH2+][C@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925644865 628342585 /nfs/dbraw/zinc/34/25/85/628342585.db2.gz OFWFZUNFSWPPSW-GOEBONIOSA-N 2 1 262.397 2.014 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCc1ccccc1F ZINC000925664286 628379930 /nfs/dbraw/zinc/37/99/30/628379930.db2.gz XSZMYZNLZNUMCI-SWLSCSKDSA-N 2 1 250.361 2.488 20 0 CEADMP Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000192853389 628454138 /nfs/dbraw/zinc/45/41/38/628454138.db2.gz DKEXNWMFPIMVKH-MQVJKMGUSA-N 2 1 259.397 2.147 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925684382 628489247 /nfs/dbraw/zinc/48/92/47/628489247.db2.gz ALDODEHPAXTTHJ-RBSFLKMASA-N 3 1 267.461 2.214 20 0 CEADMP c1cncc([C@@H]2C[C@@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)CCO2)c1 ZINC000925688166 628497339 /nfs/dbraw/zinc/49/73/39/628497339.db2.gz DOENLYCKWAHAEE-HRCADAONSA-N 2 1 287.407 2.176 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000925690417 628505133 /nfs/dbraw/zinc/50/51/33/628505133.db2.gz VEZXUYCJFKESOK-DSJMHWKBSA-N 2 1 275.396 2.032 20 0 CEADMP [NH3+]C[C@H]1CC[C@H](CN[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925701441 628540446 /nfs/dbraw/zinc/54/04/46/628540446.db2.gz ZPHGHYCQTZPSAI-KKUMJFAQSA-N 2 1 265.445 2.016 20 0 CEADMP COc1c(C)cccc1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925701787 628541156 /nfs/dbraw/zinc/54/11/56/628541156.db2.gz FMYSLJZNGRDOHY-ZIAGYGMSSA-N 2 1 260.381 2.363 20 0 CEADMP COc1ccnc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000925703879 628546399 /nfs/dbraw/zinc/54/63/99/628546399.db2.gz FFUVLYUTFJNMLY-GFCCVEGCSA-N 2 1 261.369 2.003 20 0 CEADMP COc1cccc(C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2CC2)c1 ZINC000902477919 634668582 /nfs/dbraw/zinc/66/85/82/634668582.db2.gz VIQFFCYEWWFDSL-LAVFITLUSA-N 2 1 286.419 2.499 20 0 CEADMP FCCn1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000902446598 634669256 /nfs/dbraw/zinc/66/92/56/634669256.db2.gz PJQJCQMPGQWNQK-HZPDHXFCSA-N 2 1 294.418 2.111 20 0 CEADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902447829 634671298 /nfs/dbraw/zinc/67/12/98/634671298.db2.gz VWGJCBINZOMCRR-WBMJQRKESA-N 2 1 290.407 2.324 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)CC2 ZINC000902448175 634671345 /nfs/dbraw/zinc/67/13/45/634671345.db2.gz DHHAAFAQCCQHLO-GOEBONIOSA-N 2 1 274.408 2.140 20 0 CEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccnc1 ZINC000093678063 628692710 /nfs/dbraw/zinc/69/27/10/628692710.db2.gz BABCZZURCSNZTG-VHRNVKJDSA-N 2 1 259.397 2.434 20 0 CEADMP CC1(C)CC[N@@H+](CCN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000902458504 634678530 /nfs/dbraw/zinc/67/85/30/634678530.db2.gz YNVDQIQHBXLUGU-IRXDYDNUSA-N 2 1 293.499 2.476 20 0 CEADMP CC1(C)CCN(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000902458504 634678535 /nfs/dbraw/zinc/67/85/35/634678535.db2.gz YNVDQIQHBXLUGU-IRXDYDNUSA-N 2 1 293.499 2.476 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000925772188 628776278 /nfs/dbraw/zinc/77/62/78/628776278.db2.gz GPAKUCRFGULWFL-JYJNAYRXSA-N 2 1 296.455 2.082 20 0 CEADMP CC(C)O[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(C)C ZINC000902466964 634684875 /nfs/dbraw/zinc/68/48/75/634684875.db2.gz JUCBUNCZMBHHOZ-ZSLBOAEBSA-N 2 1 252.402 2.061 20 0 CEADMP Cc1cncc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000925777804 628800593 /nfs/dbraw/zinc/80/05/93/628800593.db2.gz QPSAGRJNAIZIFE-DGCLKSJQSA-N 2 1 269.339 2.285 20 0 CEADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCCCCO ZINC000931724615 628810637 /nfs/dbraw/zinc/81/06/37/628810637.db2.gz KXPMBPRVHRHHSL-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCCCCO ZINC000931724615 628810642 /nfs/dbraw/zinc/81/06/42/628810642.db2.gz KXPMBPRVHRHHSL-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCCCCCO ZINC000931724615 628810645 /nfs/dbraw/zinc/81/06/45/628810645.db2.gz KXPMBPRVHRHHSL-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCCCCCO ZINC000931724615 628810647 /nfs/dbraw/zinc/81/06/47/628810647.db2.gz KXPMBPRVHRHHSL-LSDHHAIUSA-N 2 1 254.418 2.098 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1F ZINC000925791144 628836249 /nfs/dbraw/zinc/83/62/49/628836249.db2.gz NYKZYZZQOYMTFI-VWYCJHECSA-N 2 1 254.324 2.471 20 0 CEADMP C[C@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)c1c[nH+]ccc1N ZINC000925822310 628888499 /nfs/dbraw/zinc/88/84/99/628888499.db2.gz LOBBKTYVAKRXGQ-ZBEGNZNMSA-N 2 1 289.354 2.192 20 0 CEADMP Cn1nc(C2CC2)cc1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925873038 628971635 /nfs/dbraw/zinc/97/16/35/628971635.db2.gz DRQOLBRGYGGWAD-KBMXLJTQSA-N 2 1 288.439 2.164 20 0 CEADMP N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925880711 628979921 /nfs/dbraw/zinc/97/99/21/628979921.db2.gz ASOCQYKGUVLPLT-BDXSIMOUSA-N 2 1 287.451 2.295 20 0 CEADMP N[C@H]1CCCCC[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925880729 628980327 /nfs/dbraw/zinc/98/03/27/628980327.db2.gz ASOCQYKGUVLPLT-XLAORIBOSA-N 2 1 287.451 2.295 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)n1 ZINC000902481348 634699359 /nfs/dbraw/zinc/69/93/59/634699359.db2.gz BYIJDDWWKABMDT-HIFRSBDPSA-N 2 1 277.412 2.143 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CC[C@@H](OC)C2)C1 ZINC000821381348 634703749 /nfs/dbraw/zinc/70/37/49/634703749.db2.gz XBLHLDQVVJZGLE-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](OC)C2)C1 ZINC000821381348 634703753 /nfs/dbraw/zinc/70/37/53/634703753.db2.gz XBLHLDQVVJZGLE-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](OC)C2)C1 ZINC000821381348 634703754 /nfs/dbraw/zinc/70/37/54/634703754.db2.gz XBLHLDQVVJZGLE-RRFJBIMHSA-N 2 1 254.418 2.218 20 0 CEADMP Oc1cccc2sc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc21 ZINC000894097785 629123514 /nfs/dbraw/zinc/12/35/14/629123514.db2.gz PXOSVOKQFLPCDR-PHIMTYICSA-N 2 1 274.389 2.258 20 0 CEADMP Oc1cccc2sc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc21 ZINC000894097785 629123517 /nfs/dbraw/zinc/12/35/17/629123517.db2.gz PXOSVOKQFLPCDR-PHIMTYICSA-N 2 1 274.389 2.258 20 0 CEADMP CC(=O)OC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894133426 629157279 /nfs/dbraw/zinc/15/72/79/629157279.db2.gz AQDLKQZOOVIRFD-PBHICJAKSA-N 2 1 290.407 2.050 20 0 CEADMP Cc1noc2ncc(C[NH2+]C3CC[NH+](C(C)C)CC3)cc12 ZINC000894159431 629175460 /nfs/dbraw/zinc/17/54/60/629175460.db2.gz BGPIGTNUQVPYDA-UHFFFAOYSA-N 2 1 288.395 2.494 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCCOC1 ZINC000679574326 629246584 /nfs/dbraw/zinc/24/65/84/629246584.db2.gz HKQWBHXWXWLCEI-UXLLHSPISA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1nncn1C ZINC000924944767 629283747 /nfs/dbraw/zinc/28/37/47/629283747.db2.gz DDCCZCAFGFDJQD-CHWSQXEVSA-N 2 1 287.411 2.289 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1Cc2ccccc21 ZINC000924948191 629285981 /nfs/dbraw/zinc/28/59/81/629285981.db2.gz GEJNMKYTYHVBGX-QDSSRZTBSA-N 2 1 256.393 2.256 20 0 CEADMP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](O)C(F)(F)F ZINC000894276883 629296288 /nfs/dbraw/zinc/29/62/88/629296288.db2.gz XFMITMYUHRJXQA-DMGDTADUSA-N 2 1 294.361 2.149 20 0 CEADMP Cc1nc2ccc(C[N@H+]3CC[C@H](C[NH3+])C3)cc2s1 ZINC000261938091 629347345 /nfs/dbraw/zinc/34/73/45/629347345.db2.gz MJIQXXISWPENBJ-GFCCVEGCSA-N 2 1 261.394 2.385 20 0 CEADMP c1cc2c(c(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c1)NCC2 ZINC000261952948 629389578 /nfs/dbraw/zinc/38/95/78/629389578.db2.gz GFPALDPDXGIKTK-UHFFFAOYSA-N 2 1 271.408 2.230 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1F ZINC000261975067 629407620 /nfs/dbraw/zinc/40/76/20/629407620.db2.gz QQTOGCRVJBGUDS-WCQYABFASA-N 2 1 266.360 2.394 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1F ZINC000261975067 629407624 /nfs/dbraw/zinc/40/76/24/629407624.db2.gz QQTOGCRVJBGUDS-WCQYABFASA-N 2 1 266.360 2.394 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000894377825 629409439 /nfs/dbraw/zinc/40/94/39/629409439.db2.gz HZDCGGJHAHETLR-INIZCTEOSA-N 2 1 269.477 2.286 20 0 CEADMP C[NH+](C)C1(C[NH2+]C2CC3(C2)CCCC3)CCOCC1 ZINC000925063823 629425280 /nfs/dbraw/zinc/42/52/80/629425280.db2.gz VCTVZDOOTVEUHQ-UHFFFAOYSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnn(C)c1C1CC1 ZINC000894475327 629483129 /nfs/dbraw/zinc/48/31/29/629483129.db2.gz CLYIDSCHPTZVQS-UHFFFAOYSA-N 2 1 287.411 2.325 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnn(C)c1C1CC1 ZINC000894475327 629483132 /nfs/dbraw/zinc/48/31/32/629483132.db2.gz CLYIDSCHPTZVQS-UHFFFAOYSA-N 2 1 287.411 2.325 20 0 CEADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)o1 ZINC000894496341 629497787 /nfs/dbraw/zinc/49/77/87/629497787.db2.gz OYVOPJBBZBMWAN-TZMCWYRMSA-N 2 1 266.385 2.450 20 0 CEADMP CCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000894860984 629698465 /nfs/dbraw/zinc/69/84/65/629698465.db2.gz MLUXRXRGWQEEDM-ZDUSSCGKSA-N 2 1 266.385 2.500 20 0 CEADMP COc1ccc([C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000909415161 629724531 /nfs/dbraw/zinc/72/45/31/629724531.db2.gz QNTCWXCQJIHRMA-GDBMZVCRSA-N 2 1 292.423 2.145 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)CC1 ZINC000895081676 629869505 /nfs/dbraw/zinc/86/95/05/629869505.db2.gz JHPKKFXRLBTVIE-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1OCCCO1 ZINC000749512567 629913870 /nfs/dbraw/zinc/91/38/70/629913870.db2.gz AVLRKKNHDUSGRA-GOEBONIOSA-N 2 1 294.439 2.088 20 0 CEADMP C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1OCCCO1 ZINC000749512567 629913873 /nfs/dbraw/zinc/91/38/73/629913873.db2.gz AVLRKKNHDUSGRA-GOEBONIOSA-N 2 1 294.439 2.088 20 0 CEADMP C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1OCCCO1 ZINC000749512567 629913877 /nfs/dbraw/zinc/91/38/77/629913877.db2.gz AVLRKKNHDUSGRA-GOEBONIOSA-N 2 1 294.439 2.088 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC1(C)C ZINC000895205799 630033676 /nfs/dbraw/zinc/03/36/76/630033676.db2.gz HMJJDGFGXWNHNH-AWEZNQCLSA-N 2 1 299.418 2.491 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC1(C)C ZINC000895205799 630033679 /nfs/dbraw/zinc/03/36/79/630033679.db2.gz HMJJDGFGXWNHNH-AWEZNQCLSA-N 2 1 299.418 2.491 20 0 CEADMP C[C@@H](CC[NH2+]Cc1ccc(N2CCCC2)nc1)[NH+](C)C ZINC000895298432 630087629 /nfs/dbraw/zinc/08/76/29/630087629.db2.gz VSWXZXHXZIYEKN-AWEZNQCLSA-N 2 1 276.428 2.112 20 0 CEADMP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000797061054 630122981 /nfs/dbraw/zinc/12/29/81/630122981.db2.gz NDRKNBCGMOPCKW-YQFWSFKMSA-N 2 1 276.424 2.489 20 0 CEADMP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000797061054 630122995 /nfs/dbraw/zinc/12/29/95/630122995.db2.gz NDRKNBCGMOPCKW-YQFWSFKMSA-N 2 1 276.424 2.489 20 0 CEADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000895375861 630151753 /nfs/dbraw/zinc/15/17/53/630151753.db2.gz FEEUDIDOHFRQJO-GDBMZVCRSA-N 2 1 266.429 2.385 20 0 CEADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC1CC[NH+](C)CC1 ZINC000895460295 630201994 /nfs/dbraw/zinc/20/19/94/630201994.db2.gz IJRBHDDGLSHNRF-UHFFFAOYSA-N 3 1 255.450 2.038 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC1CC[NH+](C)CC1 ZINC000895460295 630201999 /nfs/dbraw/zinc/20/19/99/630201999.db2.gz IJRBHDDGLSHNRF-UHFFFAOYSA-N 3 1 255.450 2.038 20 0 CEADMP CC[C@@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[NH+]1CCCC1 ZINC000902740837 634794954 /nfs/dbraw/zinc/79/49/54/634794954.db2.gz DPPVNHDCVRSLCI-NQLMQOPMSA-N 2 1 278.440 2.264 20 0 CEADMP C[C@@H](O)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000895472676 630209937 /nfs/dbraw/zinc/20/99/37/630209937.db2.gz JIEFPSDNYCRSJL-NYFQHYJGSA-N 2 1 274.408 2.323 20 0 CEADMP C[C@@H](O)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000895472676 630209943 /nfs/dbraw/zinc/20/99/43/630209943.db2.gz JIEFPSDNYCRSJL-NYFQHYJGSA-N 2 1 274.408 2.323 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)CC1 ZINC000895493208 630218027 /nfs/dbraw/zinc/21/80/27/630218027.db2.gz NGARNZAHERCKED-QGZVFWFLSA-N 2 1 289.423 2.014 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902731707 634799777 /nfs/dbraw/zinc/79/97/77/634799777.db2.gz OKZIZRINSDHTES-SMLCLMEVSA-N 2 1 276.424 2.016 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)CC1 ZINC000895587237 630261932 /nfs/dbraw/zinc/26/19/32/630261932.db2.gz MAAXVURVYCZMFT-GOSISDBHSA-N 2 1 288.435 2.312 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)CC1 ZINC000895587238 630262419 /nfs/dbraw/zinc/26/24/19/630262419.db2.gz MAAXVURVYCZMFT-SFHVURJKSA-N 2 1 288.435 2.312 20 0 CEADMP Cc1cnn(C)c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895683121 630305745 /nfs/dbraw/zinc/30/57/45/630305745.db2.gz HWUXLSMDPXOQAK-UHFFFAOYSA-N 2 1 278.444 2.426 20 0 CEADMP COc1ccc2[nH+]ccc(N[C@@H]3CC[N@@H+](C)[C@@H]3C)c2c1 ZINC000895734164 630324715 /nfs/dbraw/zinc/32/47/15/630324715.db2.gz JDBURZKEYOBKHP-BXUZGUMPSA-N 2 1 271.364 2.170 20 0 CEADMP CCO[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000902804779 634829650 /nfs/dbraw/zinc/82/96/50/634829650.db2.gz VLMPOXAHNCCBSO-CABCVRRESA-N 2 1 284.444 2.035 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000896734935 630652364 /nfs/dbraw/zinc/65/23/64/630652364.db2.gz KIFYHUZWDWSJGN-LSDHHAIUSA-N 2 1 295.471 2.050 20 0 CEADMP CCO[C@@H](C[NH2+]CCc1ccc(C)c(C)c1)C[NH+](C)C ZINC000896876320 630698362 /nfs/dbraw/zinc/69/83/62/630698362.db2.gz DJIIZLHRNYSPHY-KRWDZBQOSA-N 2 1 278.440 2.402 20 0 CEADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897321044 631112481 /nfs/dbraw/zinc/11/24/81/631112481.db2.gz IFCMTDLEDWOFRA-HIFRSBDPSA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000985521481 631118905 /nfs/dbraw/zinc/11/89/05/631118905.db2.gz NPUJWNOGIFVPME-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000985521481 631118907 /nfs/dbraw/zinc/11/89/07/631118907.db2.gz NPUJWNOGIFVPME-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000985521481 631118909 /nfs/dbraw/zinc/11/89/09/631118909.db2.gz NPUJWNOGIFVPME-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H](NCC[N@@H+]1CC[C@@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925197351 631169201 /nfs/dbraw/zinc/16/92/01/631169201.db2.gz MBILVNQLXNKTAN-CABCVRRESA-N 2 1 299.422 2.260 20 0 CEADMP C[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1cccc(-n2cnnc2)c1 ZINC000925197351 631169204 /nfs/dbraw/zinc/16/92/04/631169204.db2.gz MBILVNQLXNKTAN-CABCVRRESA-N 2 1 299.422 2.260 20 0 CEADMP COc1ccc(CC[C@@H]2CCCC[N@@H+]2CCN)cc1OC ZINC000262909091 631255577 /nfs/dbraw/zinc/25/55/77/631255577.db2.gz FMKVHSHHZYZVAO-HNNXBMFYSA-N 2 1 292.423 2.450 20 0 CEADMP COc1ccc(CC[C@@H]2CCCC[N@H+]2CCN)cc1OC ZINC000262909091 631255581 /nfs/dbraw/zinc/25/55/81/631255581.db2.gz FMKVHSHHZYZVAO-HNNXBMFYSA-N 2 1 292.423 2.450 20 0 CEADMP COc1ccc(CC[C@@H]2CCCC[N@@H+]2CC[NH3+])cc1OC ZINC000262909091 631255588 /nfs/dbraw/zinc/25/55/88/631255588.db2.gz FMKVHSHHZYZVAO-HNNXBMFYSA-N 2 1 292.423 2.450 20 0 CEADMP COc1ccc(CC[C@@H]2CCCC[N@H+]2CC[NH3+])cc1OC ZINC000262909091 631255593 /nfs/dbraw/zinc/25/55/93/631255593.db2.gz FMKVHSHHZYZVAO-HNNXBMFYSA-N 2 1 292.423 2.450 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCCCCCCC1)C1CC1 ZINC000321713313 631476127 /nfs/dbraw/zinc/47/61/27/631476127.db2.gz DNKZOFNFOOUMTI-HNNXBMFYSA-N 2 1 254.418 2.098 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCCCCCCC1)C1CC1 ZINC000321713313 631476130 /nfs/dbraw/zinc/47/61/30/631476130.db2.gz DNKZOFNFOOUMTI-HNNXBMFYSA-N 2 1 254.418 2.098 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)[C@H](C)C1 ZINC000897507887 631597080 /nfs/dbraw/zinc/59/70/80/631597080.db2.gz GOLDVERVPOBJFG-SYAUCNOPSA-N 2 1 266.429 2.264 20 0 CEADMP Cc1nccn1CCCOC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000803853857 631617772 /nfs/dbraw/zinc/61/77/72/631617772.db2.gz DNKYQOZVSRHHPV-OAHLLOKOSA-N 2 1 293.411 2.389 20 0 CEADMP Cc1[nH+]ccn1CCCOC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000803853857 631617775 /nfs/dbraw/zinc/61/77/75/631617775.db2.gz DNKYQOZVSRHHPV-OAHLLOKOSA-N 2 1 293.411 2.389 20 0 CEADMP Cc1[nH+]ccn1CCCOC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000803853857 631617781 /nfs/dbraw/zinc/61/77/81/631617781.db2.gz DNKYQOZVSRHHPV-OAHLLOKOSA-N 2 1 293.411 2.389 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C3(O)CCC3)CC2)CC1(C)C ZINC000897527497 631651400 /nfs/dbraw/zinc/65/14/00/631651400.db2.gz OJHSELHVERCVQN-CYBMUJFWSA-N 2 1 266.429 2.144 20 0 CEADMP CCC(CC)NC(=[NH2+])NCC[N@H+]1CCCC[C@@H]1C ZINC000864453849 631657203 /nfs/dbraw/zinc/65/72/03/631657203.db2.gz PWMQBIVUXHVMED-LBPRGKRZSA-N 2 1 254.422 2.163 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)[C@@H](C)C1 ZINC000897536948 631688295 /nfs/dbraw/zinc/68/82/95/631688295.db2.gz YXBYLCSFWRXSIP-VGWMRTNUSA-N 2 1 268.445 2.248 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3nonc3c2)[C@H](C)C1 ZINC000897991792 632008899 /nfs/dbraw/zinc/00/88/99/632008899.db2.gz UHJNCKPMFUQZFN-DGCLKSJQSA-N 2 1 274.368 2.043 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3nonc3c2)[C@H](C)C1 ZINC000897991792 632008906 /nfs/dbraw/zinc/00/89/06/632008906.db2.gz UHJNCKPMFUQZFN-DGCLKSJQSA-N 2 1 274.368 2.043 20 0 CEADMP C[C@H](O)c1ncc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000809623886 632113789 /nfs/dbraw/zinc/11/37/89/632113789.db2.gz CWBAIBSRBVZDPR-SDDRHHMPSA-N 2 1 283.441 2.159 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCCCCC1 ZINC000809939820 632159108 /nfs/dbraw/zinc/15/91/08/632159108.db2.gz WFXRYSZPZXVGOP-MRXNPFEDSA-N 2 1 268.445 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCCCCCC1 ZINC000809939820 632159109 /nfs/dbraw/zinc/15/91/09/632159109.db2.gz WFXRYSZPZXVGOP-MRXNPFEDSA-N 2 1 268.445 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)C1CCCCCCC1)C1CC1 ZINC000809939820 632159113 /nfs/dbraw/zinc/15/91/13/632159113.db2.gz WFXRYSZPZXVGOP-MRXNPFEDSA-N 2 1 268.445 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CCCCCCC1)C1CC1 ZINC000809939820 632159115 /nfs/dbraw/zinc/15/91/15/632159115.db2.gz WFXRYSZPZXVGOP-MRXNPFEDSA-N 2 1 268.445 2.486 20 0 CEADMP CCO[C@@H](C[NH2+]C1CCC2(CCOCC2)CC1)C[NH+](C)C ZINC000926965678 632394457 /nfs/dbraw/zinc/39/44/57/632394457.db2.gz RYVNYDOUGIMRLT-INIZCTEOSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@@]1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCCO1 ZINC000927012079 632416583 /nfs/dbraw/zinc/41/65/83/632416583.db2.gz GUMDPZCMKFZJOC-SJORKVTESA-N 2 1 296.455 2.179 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cccc(OC)n1 ZINC000924707297 632442318 /nfs/dbraw/zinc/44/23/18/632442318.db2.gz UAKQVEJWUABGMC-UONOGXRCSA-N 2 1 277.412 2.473 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(OC)n1 ZINC000924707297 632442325 /nfs/dbraw/zinc/44/23/25/632442325.db2.gz UAKQVEJWUABGMC-UONOGXRCSA-N 2 1 277.412 2.473 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCOC2CCSCC2)[C@H](C)C1 ZINC000898440546 632494385 /nfs/dbraw/zinc/49/43/85/632494385.db2.gz RZBUQCNSDYIVBG-HIFRSBDPSA-N 2 1 286.485 2.219 20 0 CEADMP C(COC1CCSCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000898441266 632500240 /nfs/dbraw/zinc/50/02/40/632500240.db2.gz QUINYYLQUBGQEG-UHFFFAOYSA-N 2 1 284.469 2.115 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2([C@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC000927164907 632695888 /nfs/dbraw/zinc/69/58/88/632695888.db2.gz YLQUTBCJORDNCN-HZSPNIEDSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2([C@H]3CCCCO3)CC2)CC[N@H+]1C ZINC000927164907 632695891 /nfs/dbraw/zinc/69/58/91/632695891.db2.gz YLQUTBCJORDNCN-HZSPNIEDSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H](NC(=[NH2+])NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000899265995 632763820 /nfs/dbraw/zinc/76/38/20/632763820.db2.gz MQEHQVAOJNQEDQ-FRRDWIJNSA-N 2 1 266.433 2.019 20 0 CEADMP Cc1[nH+]ccn1CCCOc1ccc2c(c1)CC[NH2+]CC2 ZINC000899589869 632910751 /nfs/dbraw/zinc/91/07/51/632910751.db2.gz VIVYBUPXSZBXAO-UHFFFAOYSA-N 2 1 285.391 2.349 20 0 CEADMP COC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000815579659 633033253 /nfs/dbraw/zinc/03/32/53/633033253.db2.gz SAZXEWMFUQNXOY-UKRRQHHQSA-N 2 1 284.444 2.033 20 0 CEADMP C[NH2+][C@H](C)Cc1noc([C@@H]([NH3+])C2CCCCCC2)n1 ZINC000900008584 633172417 /nfs/dbraw/zinc/17/24/17/633172417.db2.gz MHMCNAOVVMYETE-MFKMUULPSA-N 2 1 266.389 2.190 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817281827 633617711 /nfs/dbraw/zinc/61/77/11/633617711.db2.gz QDRQMAXUYUUPTC-STQMWFEESA-N 2 1 294.361 2.108 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817281827 633617715 /nfs/dbraw/zinc/61/77/15/633617715.db2.gz QDRQMAXUYUUPTC-STQMWFEESA-N 2 1 294.361 2.108 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1c[nH+]ccc1N ZINC000817892893 633755957 /nfs/dbraw/zinc/75/59/57/633755957.db2.gz WOFJSTSANUAFHU-QWHCGFSZSA-N 2 1 283.375 2.396 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000817936373 633783348 /nfs/dbraw/zinc/78/33/48/633783348.db2.gz JWVPHRKXUHHQHB-KXUCPTDWSA-N 2 1 251.201 2.300 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1c[nH+]ccc1N ZINC000817913845 633772366 /nfs/dbraw/zinc/77/23/66/633772366.db2.gz NASWOYJJOOAESL-ACJLOTCBSA-N 2 1 297.402 2.369 20 0 CEADMP C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000817914369 633773870 /nfs/dbraw/zinc/77/38/70/633773870.db2.gz YZJLCRHSABBUOC-YIYPIFLZSA-N 2 1 266.385 2.212 20 0 CEADMP CC[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000817916148 633774347 /nfs/dbraw/zinc/77/43/47/633774347.db2.gz AFBBWAWBECMTGE-OWCLPIDISA-N 2 1 280.387 2.153 20 0 CEADMP CCc1ccc([C@H](O)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000817928717 633783458 /nfs/dbraw/zinc/78/34/58/633783458.db2.gz FCIAAELZESDJIM-YVEFUNNKSA-N 2 1 285.391 2.441 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817970206 633813067 /nfs/dbraw/zinc/81/30/67/633813067.db2.gz OFFZEXKHBJIMAU-RYUDHWBXSA-N 2 1 277.368 2.031 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(Br)nc1 ZINC000817970375 633813578 /nfs/dbraw/zinc/81/35/78/633813578.db2.gz SUZMRHSRGXTSAT-JBLDHEPKSA-N 2 1 298.228 2.493 20 0 CEADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@@H]1CC ZINC000818978247 634026186 /nfs/dbraw/zinc/02/61/86/634026186.db2.gz SOYUEBWEAKHOFG-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@@H]1CC ZINC000818978247 634026197 /nfs/dbraw/zinc/02/61/97/634026197.db2.gz SOYUEBWEAKHOFG-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000818978247 634026204 /nfs/dbraw/zinc/02/62/04/634026204.db2.gz SOYUEBWEAKHOFG-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000818978247 634026213 /nfs/dbraw/zinc/02/62/13/634026213.db2.gz SOYUEBWEAKHOFG-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000818984318 634029356 /nfs/dbraw/zinc/02/93/56/634029356.db2.gz DOHPSQZAXWVXMF-WBVHZDCISA-N 2 1 276.424 2.430 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC1CCC1 ZINC000819145897 634082518 /nfs/dbraw/zinc/08/25/18/634082518.db2.gz IMSIBQCMDRIJCI-KRWDZBQOSA-N 2 1 276.424 2.259 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC1CCC1 ZINC000819145897 634082526 /nfs/dbraw/zinc/08/25/26/634082526.db2.gz IMSIBQCMDRIJCI-KRWDZBQOSA-N 2 1 276.424 2.259 20 0 CEADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1F ZINC000819277629 634124797 /nfs/dbraw/zinc/12/47/97/634124797.db2.gz DRJMJIZWWXWMLI-MQBCKMQZSA-N 2 1 292.398 2.466 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@@]1(C)CC1(Cl)Cl)C1CC1 ZINC000819350894 634149402 /nfs/dbraw/zinc/14/94/02/634149402.db2.gz TXOHCOPCALPSQL-NEPJUHHUSA-N 2 1 295.254 2.005 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@@]1(C)CC1(Cl)Cl)C1CC1 ZINC000819350894 634149406 /nfs/dbraw/zinc/14/94/06/634149406.db2.gz TXOHCOPCALPSQL-NEPJUHHUSA-N 2 1 295.254 2.005 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@H](O)c1ccc(F)cc1F)C1CC1 ZINC000819361657 634155152 /nfs/dbraw/zinc/15/51/52/634155152.db2.gz KLWJHBYSZZNMIJ-INIZCTEOSA-N 2 1 298.377 2.462 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902790127 634835011 /nfs/dbraw/zinc/83/50/11/634835011.db2.gz MJMPIAFRHYDITA-OLTDLULHSA-N 2 1 289.423 2.231 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)[C@@H]1C ZINC000903076438 634957960 /nfs/dbraw/zinc/95/79/60/634957960.db2.gz PZJIJHGQXCMIQD-DLTWYDFYSA-N 2 1 282.472 2.494 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(=O)NC(C)(C)C ZINC000903084512 634962151 /nfs/dbraw/zinc/96/21/51/634962151.db2.gz ZFHUJCBHODQOSU-IKKMQULASA-N 2 1 293.455 2.037 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(=O)NC(C)(C)C ZINC000903084512 634962153 /nfs/dbraw/zinc/96/21/53/634962153.db2.gz ZFHUJCBHODQOSU-IKKMQULASA-N 2 1 293.455 2.037 20 0 CEADMP Cn1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903103812 634972087 /nfs/dbraw/zinc/97/20/87/634972087.db2.gz AGCHWKUHPWTGFH-VHRNVKJDSA-N 2 1 259.397 2.273 20 0 CEADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@H]1COc2ccccc2O1 ZINC000903425955 635112919 /nfs/dbraw/zinc/11/29/19/635112919.db2.gz BWXXTFLCISPTCE-ILXRZTDVSA-N 2 1 290.407 2.276 20 0 CEADMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C[C@@H]1COc2ccccc2O1 ZINC000903425956 635113071 /nfs/dbraw/zinc/11/30/71/635113071.db2.gz BWXXTFLCISPTCE-QLFBSQMISA-N 2 1 290.407 2.276 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@@H](c3ccccc3)C2)C1 ZINC000903430322 635113980 /nfs/dbraw/zinc/11/39/80/635113980.db2.gz SYHVJJZINFZDEM-NUEKZKHPSA-N 2 1 260.381 2.187 20 0 CEADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903441465 635120924 /nfs/dbraw/zinc/12/09/24/635120924.db2.gz TXGWMJQLCCCADF-XJFOESAGSA-N 2 1 256.459 2.448 20 0 CEADMP Fc1ccc(C[N@H+]2CCCN(C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000903442024 635128047 /nfs/dbraw/zinc/12/80/47/635128047.db2.gz GJKMSEZWIPDDLY-QGZVFWFLSA-N 2 1 291.414 2.085 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903441771 635128642 /nfs/dbraw/zinc/12/86/42/635128642.db2.gz APHPXLDBDAVFAS-CVEARBPZSA-N 3 1 267.461 2.166 20 0 CEADMP c1cc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2[nH]1 ZINC000903452639 635135770 /nfs/dbraw/zinc/13/57/70/635135770.db2.gz OUKVEYHPNKWJKF-HUUCEWRRSA-N 2 1 255.365 2.352 20 0 CEADMP CC[C@@H]1CN(C[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000903457420 635140349 /nfs/dbraw/zinc/14/03/49/635140349.db2.gz RUDLRYZXTUWCOF-QZTJIDSGSA-N 2 1 287.451 2.335 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000903478226 635147460 /nfs/dbraw/zinc/14/74/60/635147460.db2.gz GRRSMVROXULKKA-HFTRVMKXSA-N 2 1 270.420 2.432 20 0 CEADMP CC(C)CCOCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903486015 635150126 /nfs/dbraw/zinc/15/01/26/635150126.db2.gz RGFYLZABPKBNDC-AWEZNQCLSA-N 2 1 254.418 2.313 20 0 CEADMP Cc1ncsc1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484847 635152376 /nfs/dbraw/zinc/15/23/76/635152376.db2.gz WNKMDKRBIKLLEJ-ZDUSSCGKSA-N 2 1 265.426 2.258 20 0 CEADMP FC1(F)C[C@]2(CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)C1(F)F ZINC000903490653 635156314 /nfs/dbraw/zinc/15/63/14/635156314.db2.gz BUORPXWNUSDFHK-MNOVXSKESA-N 2 1 280.309 2.352 20 0 CEADMP CCC[N@@H+](CC1CC1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718188 635233181 /nfs/dbraw/zinc/23/31/81/635233181.db2.gz HZWOODWEDDIXKP-OAHLLOKOSA-N 2 1 266.429 2.267 20 0 CEADMP C[N@H+](Cc1ccccc1F)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719071 635233603 /nfs/dbraw/zinc/23/36/03/635233603.db2.gz UWXMBPMOXLEBLV-HOCLYGCPSA-N 2 1 278.371 2.026 20 0 CEADMP COc1ccc(C[N@H+](C)C[C@H]2CCCC[NH2+]C2)cc1O ZINC000903722786 635236230 /nfs/dbraw/zinc/23/62/30/635236230.db2.gz PBVRIKCOQWPKEI-AWEZNQCLSA-N 2 1 278.396 2.222 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@H]2CCCC[NH2+]C2)cc1O ZINC000903722786 635236233 /nfs/dbraw/zinc/23/62/33/635236233.db2.gz PBVRIKCOQWPKEI-AWEZNQCLSA-N 2 1 278.396 2.222 20 0 CEADMP CC1(C)C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C(C)(C)CO1 ZINC000903729925 635242223 /nfs/dbraw/zinc/24/22/23/635242223.db2.gz SOBIJCXVUJFWNS-AWEZNQCLSA-N 2 1 296.455 2.035 20 0 CEADMP C[N@@H+](C[C@H]1CCC[C@H](C(F)(F)F)O1)C1CC[NH2+]CC1 ZINC000903713351 635244115 /nfs/dbraw/zinc/24/41/15/635244115.db2.gz NXZGWTCGZSMKSC-VXGBXAGGSA-N 2 1 280.334 2.170 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903712976 635244470 /nfs/dbraw/zinc/24/44/70/635244470.db2.gz CSCFFZFMAORGOP-QJPTWQEYSA-N 2 1 280.334 2.157 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903712976 635244471 /nfs/dbraw/zinc/24/44/71/635244471.db2.gz CSCFFZFMAORGOP-QJPTWQEYSA-N 2 1 280.334 2.157 20 0 CEADMP FCCn1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000903749620 635248198 /nfs/dbraw/zinc/24/81/98/635248198.db2.gz NBORTZAUBWJZLY-HOTGVXAUSA-N 2 1 294.418 2.064 20 0 CEADMP C[N@@H+](CCc1cccs1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733461 635250134 /nfs/dbraw/zinc/25/01/34/635250134.db2.gz KNCZWSGLACDGQT-AWEZNQCLSA-N 2 1 294.464 2.381 20 0 CEADMP CC(C)CO[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903734391 635250927 /nfs/dbraw/zinc/25/09/27/635250927.db2.gz YTNXCOIRYPKADB-HUUCEWRRSA-N 2 1 254.418 2.123 20 0 CEADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCCC[C@H]1C1CCC1 ZINC000903764438 635257127 /nfs/dbraw/zinc/25/71/27/635257127.db2.gz RNQDKDRYAAGPAN-YESZJQIVSA-N 2 1 278.440 2.410 20 0 CEADMP FCC[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903765850 635258250 /nfs/dbraw/zinc/25/82/50/635258250.db2.gz LDCRCOACTSQFMP-LSDHHAIUSA-N 2 1 284.419 2.217 20 0 CEADMP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903765927 635258412 /nfs/dbraw/zinc/25/84/12/635258412.db2.gz NACOWGHDKYLRDG-WCVJEAGWSA-N 2 1 266.429 2.266 20 0 CEADMP CC1CC(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000903768690 635259447 /nfs/dbraw/zinc/25/94/47/635259447.db2.gz PEPZURKLOVETHP-UIEKQHFFSA-N 2 1 266.429 2.393 20 0 CEADMP Cc1nnc([C@H](C)[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)[nH]1 ZINC000903792566 635263280 /nfs/dbraw/zinc/26/32/80/635263280.db2.gz FGZXXESXIBXRLV-ZDUSSCGKSA-N 2 1 299.422 2.167 20 0 CEADMP FC(F)(F)[C@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903777799 635265873 /nfs/dbraw/zinc/26/58/73/635265873.db2.gz GAWLOLNAQIJZOM-AVGNSLFASA-N 2 1 292.345 2.029 20 0 CEADMP Cc1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)nc1 ZINC000903788027 635269864 /nfs/dbraw/zinc/26/98/64/635269864.db2.gz AHSLNOMNYYNRPX-OAHLLOKOSA-N 2 1 288.439 2.387 20 0 CEADMP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903816343 635273334 /nfs/dbraw/zinc/27/33/34/635273334.db2.gz YOFUVJOVCHIXQL-CABCVRRESA-N 2 1 295.471 2.131 20 0 CEADMP CC(C)[C@@H](C)NC(=O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903816343 635273339 /nfs/dbraw/zinc/27/33/39/635273339.db2.gz YOFUVJOVCHIXQL-CABCVRRESA-N 2 1 295.471 2.131 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]3CC[C@]32C[NH3+])c1C ZINC000903800529 635276668 /nfs/dbraw/zinc/27/66/68/635276668.db2.gz WHXLHMLRHARCBO-PBHICJAKSA-N 2 1 289.423 2.410 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2C[C@H]2CCCC[NH2+]C2)CCC1 ZINC000903810359 635284126 /nfs/dbraw/zinc/28/41/26/635284126.db2.gz BKEWTYLTVQHRHC-JKSUJKDBSA-N 3 1 279.472 2.360 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2C[C@H]2CCCC[NH2+]C2)CCC1 ZINC000903810359 635284129 /nfs/dbraw/zinc/28/41/29/635284129.db2.gz BKEWTYLTVQHRHC-JKSUJKDBSA-N 3 1 279.472 2.360 20 0 CEADMP CC(C)(C)CNC(=O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903813011 635286578 /nfs/dbraw/zinc/28/65/78/635286578.db2.gz XCOJDKVELVHZIV-CQSZACIVSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)(C)CNC(=O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903813011 635286581 /nfs/dbraw/zinc/28/65/81/635286581.db2.gz XCOJDKVELVHZIV-CQSZACIVSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903813209 635288384 /nfs/dbraw/zinc/28/83/84/635288384.db2.gz ZBYRIQLBLQRJNE-SOUVJXGZSA-N 2 1 266.429 2.395 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC000903823933 635292606 /nfs/dbraw/zinc/29/26/06/635292606.db2.gz LNKJNFROHDZXCL-FUHWJXTLSA-N 2 1 290.451 2.473 20 0 CEADMP FCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903833441 635296528 /nfs/dbraw/zinc/29/65/28/635296528.db2.gz WRQXYLIDGRKNNK-LDBYLJPUSA-N 2 1 296.430 2.358 20 0 CEADMP FCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903833443 635296868 /nfs/dbraw/zinc/29/68/68/635296868.db2.gz WRQXYLIDGRKNNK-SLUKUZTOSA-N 2 1 296.430 2.358 20 0 CEADMP COc1ccc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903818209 635299324 /nfs/dbraw/zinc/29/93/24/635299324.db2.gz BHENWLLIXSLIRR-UHFFFAOYSA-N 2 1 290.407 2.040 20 0 CEADMP COc1ccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903818209 635299327 /nfs/dbraw/zinc/29/93/27/635299327.db2.gz BHENWLLIXSLIRR-UHFFFAOYSA-N 2 1 290.407 2.040 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc3c1OC(F)(F)O3)C2 ZINC000903842879 635301012 /nfs/dbraw/zinc/30/10/12/635301012.db2.gz XDIWWMPOLHGQIN-WCQGTBRESA-N 2 1 296.317 2.320 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc3c1OC(F)(F)O3)C2 ZINC000903842879 635301016 /nfs/dbraw/zinc/30/10/16/635301016.db2.gz XDIWWMPOLHGQIN-WCQGTBRESA-N 2 1 296.317 2.320 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(Cl)nc1)C2 ZINC000903847454 635303527 /nfs/dbraw/zinc/30/35/27/635303527.db2.gz JKAHHRQZINOAKI-TUAOUCFPSA-N 2 1 251.761 2.047 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(Cl)nc1)C2 ZINC000903847454 635303529 /nfs/dbraw/zinc/30/35/29/635303529.db2.gz JKAHHRQZINOAKI-TUAOUCFPSA-N 2 1 251.761 2.047 20 0 CEADMP CC[N@@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)[C@H](C)C(C)C ZINC000903889408 635316111 /nfs/dbraw/zinc/31/61/11/635316111.db2.gz RQTHPNQWLGNQSJ-UKRRQHHQSA-N 2 1 280.460 2.212 20 0 CEADMP C(C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1)[C@@H]1CC[NH2+]C1 ZINC000903874530 635322878 /nfs/dbraw/zinc/32/28/78/635322878.db2.gz CNHJAAHTDZHSBJ-HRCADAONSA-N 2 1 266.429 2.125 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+](C)[C@@H](C)C(C)(C)C)cnn1C ZINC000903882737 635326564 /nfs/dbraw/zinc/32/65/64/635326564.db2.gz AZMYCXBIRZNGLC-UONOGXRCSA-N 2 1 280.460 2.212 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903894585 635330689 /nfs/dbraw/zinc/33/06/89/635330689.db2.gz AEFMKUGAJXYCQB-CVEARBPZSA-N 2 1 292.471 2.358 20 0 CEADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CCCC[C@H]1O ZINC000903903065 635338700 /nfs/dbraw/zinc/33/87/00/635338700.db2.gz RJSRTSAMMGBYOW-FUHWJXTLSA-N 2 1 288.435 2.315 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC[C@@H]([NH3+])CC(F)F ZINC000903902471 635339452 /nfs/dbraw/zinc/33/94/52/635339452.db2.gz HFDNMVRYNHKOKH-AWEZNQCLSA-N 2 1 299.409 2.469 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2C[C@@H](C)CC(C)(C)C2)cnn1C ZINC000903908118 635342694 /nfs/dbraw/zinc/34/26/94/635342694.db2.gz CZQGCKQKABFZEH-ZFWWWQNUSA-N 2 1 292.471 2.214 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000903912495 635346389 /nfs/dbraw/zinc/34/63/89/635346389.db2.gz FVNGDKZSLZAOKL-KMVIYXDESA-N 2 1 264.413 2.018 20 0 CEADMP CCC[C@]1(COC)CCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903913241 635347762 /nfs/dbraw/zinc/34/77/62/635347762.db2.gz NRTFOMVNJTWQPU-DGCLKSJQSA-N 2 1 264.360 2.250 20 0 CEADMP CCC[C@]1(COC)CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903913241 635347766 /nfs/dbraw/zinc/34/77/66/635347766.db2.gz NRTFOMVNJTWQPU-DGCLKSJQSA-N 2 1 264.360 2.250 20 0 CEADMP CC[N@@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)C1CC(C)(C)C1 ZINC000903929674 635356764 /nfs/dbraw/zinc/35/67/64/635356764.db2.gz JBKWPRIQDJZLTO-CQSZACIVSA-N 2 1 292.471 2.356 20 0 CEADMP CCn1nc(C)c(C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000903936193 635360815 /nfs/dbraw/zinc/36/08/15/635360815.db2.gz ZBSPVQASPXFNBM-MQVJKMGUSA-N 2 1 290.455 2.482 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)cnn1C ZINC000903917281 635364910 /nfs/dbraw/zinc/36/49/10/635364910.db2.gz YFKFXGGSRDUIRP-ORIJERBGSA-N 2 1 292.471 2.212 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)cnn1C ZINC000903917280 635365562 /nfs/dbraw/zinc/36/55/62/635365562.db2.gz YFKFXGGSRDUIRP-IXYNUQLISA-N 2 1 292.471 2.212 20 0 CEADMP Cn1nccc1[C@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918177 635366942 /nfs/dbraw/zinc/36/69/42/635366942.db2.gz UIFFDIRPFCKWRU-UCMJJCQDSA-N 2 1 288.439 2.478 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](N)CC(F)F ZINC000903948380 635380263 /nfs/dbraw/zinc/38/02/63/635380263.db2.gz OZJJQFGUBFMTFN-CYBMUJFWSA-N 2 1 277.403 2.167 20 0 CEADMP CN(CCCC[NH+]1CCCCC1)C[C@H]([NH3+])CC(F)F ZINC000903948380 635380269 /nfs/dbraw/zinc/38/02/69/635380269.db2.gz OZJJQFGUBFMTFN-CYBMUJFWSA-N 2 1 277.403 2.167 20 0 CEADMP CCC1([NH3+])CC[NH+]([C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000903947972 635380797 /nfs/dbraw/zinc/38/07/97/635380797.db2.gz JWROSJMEEQKRCG-RRFJBIMHSA-N 3 1 265.445 2.110 20 0 CEADMP Fc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955393 635389538 /nfs/dbraw/zinc/38/95/38/635389538.db2.gz QRGMZFOHKZMMTP-NSHDSACASA-N 2 1 258.287 2.160 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955501 635389786 /nfs/dbraw/zinc/38/97/86/635389786.db2.gz TTYRCHMPHNKUNV-LBPRGKRZSA-N 2 1 270.323 2.030 20 0 CEADMP CCc1nn(C)c(Cl)c1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903977699 635394764 /nfs/dbraw/zinc/39/47/64/635394764.db2.gz WRKMNQICYLWXAP-GHMZBOCLSA-N 2 1 284.835 2.053 20 0 CEADMP CCc1cccc(F)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968444 635401180 /nfs/dbraw/zinc/40/11/80/635401180.db2.gz WMRSDRIDTOWTTI-YPMHNXCESA-N 2 1 250.361 2.333 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)cnn1C ZINC000903987025 635405941 /nfs/dbraw/zinc/40/59/41/635405941.db2.gz WQHUFAXJVZALDQ-IIAWOOMASA-N 2 1 292.471 2.214 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)CC[NH2+]C1 ZINC000903987607 635407122 /nfs/dbraw/zinc/40/71/22/635407122.db2.gz HRNGMNGYZBKJOK-ZFWWWQNUSA-N 2 1 279.453 2.397 20 0 CEADMP CN(C[C@H]([NH3+])CCC(C)(C)C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000904316211 635555323 /nfs/dbraw/zinc/55/53/23/635555323.db2.gz LZGJWGMDMVBSIE-UKRRQHHQSA-N 2 1 267.461 2.309 20 0 CEADMP C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904313250 635559959 /nfs/dbraw/zinc/55/99/59/635559959.db2.gz XQTHTYDYUORMGL-NVXWUHKLSA-N 2 1 276.424 2.259 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](c2ccsc2)O1 ZINC000904326004 635571734 /nfs/dbraw/zinc/57/17/34/635571734.db2.gz BHJRSWBSDYEWKL-CDGCEXEKSA-N 2 1 266.410 2.247 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904344106 635582044 /nfs/dbraw/zinc/58/20/44/635582044.db2.gz ZJNFXPNOBFNWNU-DLBZAZTESA-N 2 1 279.472 2.040 20 0 CEADMP C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904347521 635583201 /nfs/dbraw/zinc/58/32/01/635583201.db2.gz IDHFYEUUZMAKAJ-MMWGEVLESA-N 2 1 250.308 2.387 20 0 CEADMP CN(C)[C@@H](C[NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000904369106 635592441 /nfs/dbraw/zinc/59/24/41/635592441.db2.gz YCFSKWAMFYAJFM-DLBZAZTESA-N 2 1 275.440 2.269 20 0 CEADMP COC(=O)c1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1C ZINC000904373136 635594220 /nfs/dbraw/zinc/59/42/20/635594220.db2.gz LKJJAINRQOGWAM-UHFFFAOYSA-N 2 1 288.391 2.110 20 0 CEADMP C[C@]1(C[NH+]2CCC(c3ccon3)CC2)CCC[NH2+]C1 ZINC000904378829 635602796 /nfs/dbraw/zinc/60/27/96/635602796.db2.gz LXXZPILLDBPBJD-HNNXBMFYSA-N 2 1 263.385 2.244 20 0 CEADMP COc1cccc2c1OCC[C@H]2[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904377462 635603263 /nfs/dbraw/zinc/60/32/63/635603263.db2.gz PYEXKNHLJKJROM-PBHICJAKSA-N 2 1 290.407 2.498 20 0 CEADMP COc1cccc2c1OCC[C@@H]2[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904377464 635603622 /nfs/dbraw/zinc/60/36/22/635603622.db2.gz PYEXKNHLJKJROM-WMLDXEAASA-N 2 1 290.407 2.498 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc3c(c1)CCCO3)C2 ZINC000904384039 635606695 /nfs/dbraw/zinc/60/66/95/635606695.db2.gz HAWVFXHJADNQJQ-DOTOQJQBSA-N 2 1 272.392 2.053 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc3c(c1)CCCO3)C2 ZINC000904384039 635606701 /nfs/dbraw/zinc/60/67/01/635606701.db2.gz HAWVFXHJADNQJQ-DOTOQJQBSA-N 2 1 272.392 2.053 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000904404894 635610890 /nfs/dbraw/zinc/61/08/90/635610890.db2.gz ADGKMZBRBKCKQK-LLVKDONJSA-N 2 1 265.426 2.193 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405089 635612733 /nfs/dbraw/zinc/61/27/33/635612733.db2.gz IWZJCFNKEMCZHM-OAHLLOKOSA-N 2 1 299.422 2.055 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)ccc1OC ZINC000904409801 635615467 /nfs/dbraw/zinc/61/54/67/635615467.db2.gz IUSXQRVYYWUDKH-ZDUSSCGKSA-N 2 1 278.396 2.265 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nc3c(s2)CCCC3)CC[C@@H]1C[NH3+] ZINC000904410343 635616839 /nfs/dbraw/zinc/61/68/39/635616839.db2.gz FCRRBBFNWOYWQF-VXGBXAGGSA-N 2 1 279.453 2.439 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)CCO1 ZINC000904411955 635619521 /nfs/dbraw/zinc/61/95/21/635619521.db2.gz QRRWAPVRZYIOPF-LJISPDSOSA-N 2 1 254.418 2.108 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000904412941 635620498 /nfs/dbraw/zinc/62/04/98/635620498.db2.gz ZQOJAYQKWOEPBT-TZMCWYRMSA-N 2 1 278.396 2.121 20 0 CEADMP CCc1noc([C@H]2CC[C@@H]([NH2+]CC[NH2+]C(C)(C)C)C2)n1 ZINC000904428669 635624090 /nfs/dbraw/zinc/62/40/90/635624090.db2.gz OKXSPWIPUDAXDM-NWDGAFQWSA-N 2 1 280.416 2.246 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000825404289 635631764 /nfs/dbraw/zinc/63/17/64/635631764.db2.gz KYPHLPLSBURJLJ-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@]12C[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000904464329 635636389 /nfs/dbraw/zinc/63/63/89/635636389.db2.gz VGHZQFHJJAPNDB-ILOGHGLZSA-N 2 1 258.356 2.337 20 0 CEADMP COc1ccc(C[C@@H](C)C[NH2+]CC2([NH3+])CC2)cc1F ZINC000904443324 635639028 /nfs/dbraw/zinc/63/90/28/635639028.db2.gz JJECHZDSIQHBKA-LLVKDONJSA-N 2 1 266.360 2.094 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@@H](Cc3nccs3)C2)CC[NH2+]C1 ZINC000904470533 635647546 /nfs/dbraw/zinc/64/75/46/635647546.db2.gz ZFDJIVJMNARNNE-JSGCOSHPSA-N 2 1 265.426 2.007 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000905056362 635803228 /nfs/dbraw/zinc/80/32/28/635803228.db2.gz YKCKQWMEJPNBDU-WMLDXEAASA-N 2 1 287.407 2.459 20 0 CEADMP C=C/C=C/CC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000905423689 636274579 /nfs/dbraw/zinc/27/45/79/636274579.db2.gz QRRMRVJLKCZGJZ-BDUNBXCCSA-N 2 1 274.408 2.201 20 0 CEADMP C=C/C=C/CC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000905423689 636274584 /nfs/dbraw/zinc/27/45/84/636274584.db2.gz QRRMRVJLKCZGJZ-BDUNBXCCSA-N 2 1 274.408 2.201 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)s1 ZINC000842778065 636320858 /nfs/dbraw/zinc/32/08/58/636320858.db2.gz FIWZZCYGOSNCRR-SDDRHHMPSA-N 2 1 265.426 2.483 20 0 CEADMP Cc1nc(N2CC3CC2(C[NH3+])C3)cc(Nc2ccccc2)[nH+]1 ZINC000905640568 636377546 /nfs/dbraw/zinc/37/75/46/636377546.db2.gz VYUGSUIDBCUVBQ-UHFFFAOYSA-N 2 1 295.390 2.456 20 0 CEADMP CCc1nc(N2CCCC[C@@]3(CC[NH2+]C3)C2)cc(C)[nH+]1 ZINC000905679457 636390966 /nfs/dbraw/zinc/39/09/66/636390966.db2.gz KUACWNVGERPWPW-INIZCTEOSA-N 2 1 274.412 2.317 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000906510697 636761297 /nfs/dbraw/zinc/76/12/97/636761297.db2.gz RAMDWWNYXUSZPG-UHFFFAOYSA-N 2 1 262.250 2.424 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000906510704 636761625 /nfs/dbraw/zinc/76/16/25/636761625.db2.gz RJIPNKAHCWECAL-UHFFFAOYSA-N 2 1 262.250 2.424 20 0 CEADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C1CC([NH3+])C1 ZINC000906510951 636761898 /nfs/dbraw/zinc/76/18/98/636761898.db2.gz OAPJDYWKRWKRBQ-UHFFFAOYSA-N 2 1 283.375 2.337 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000906516265 636763948 /nfs/dbraw/zinc/76/39/48/636763948.db2.gz AGVRJCLAUMEWNK-SHTZXODSSA-N 2 1 271.339 2.467 20 0 CEADMP CCCC[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000906528039 636769234 /nfs/dbraw/zinc/76/92/34/636769234.db2.gz SIHCLRWDZSCEFU-UHFFFAOYSA-N 2 1 262.401 2.452 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCc3cscn3)C2)CC1 ZINC000829443717 636849039 /nfs/dbraw/zinc/84/90/39/636849039.db2.gz BGMMKDUDIUARDF-UHFFFAOYSA-N 2 1 279.453 2.493 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000906916321 636895732 /nfs/dbraw/zinc/89/57/32/636895732.db2.gz XIUNSNZOAQUTIB-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000907742776 637104117 /nfs/dbraw/zinc/10/41/17/637104117.db2.gz GVRXZKBSSBTSHH-HOTGVXAUSA-N 2 1 295.471 2.051 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1ccc(F)cc1F ZINC000841085389 637310072 /nfs/dbraw/zinc/31/00/72/637310072.db2.gz AXIDYLWXZPDMQZ-CYBMUJFWSA-N 2 1 254.324 2.237 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCCCCCO ZINC000832756961 637661208 /nfs/dbraw/zinc/66/12/08/637661208.db2.gz ZKDHOCCJAMGDED-UHFFFAOYSA-N 2 1 256.434 2.393 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000834775681 637948120 /nfs/dbraw/zinc/94/81/20/637948120.db2.gz VXMAVDRGAIDPMR-WKILWMFISA-N 2 1 297.487 2.380 20 0 CEADMP C[C@@H]1[C@H](C(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)CC[N@H+]1C ZINC000912648338 638753525 /nfs/dbraw/zinc/75/35/25/638753525.db2.gz GLXLOGMHOUTFMR-ZJIFWQFVSA-N 2 1 295.471 2.048 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@H]21 ZINC000228471528 639636485 /nfs/dbraw/zinc/63/64/85/639636485.db2.gz ZMIQAEGRNAWSAP-APHBMKBZSA-N 2 1 278.371 2.264 20 0 CEADMP C1C[C@H]2SCCS[C@@H]2[C@@H]1[NH2+][C@H]1CCCC[NH2+]C1 ZINC000841091395 639654382 /nfs/dbraw/zinc/65/43/82/639654382.db2.gz WUJPMDZKQQLJBF-UMSGYPCISA-N 2 1 272.483 2.098 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000229066195 639675231 /nfs/dbraw/zinc/67/52/31/639675231.db2.gz PWXQTHUUOGJQQX-CABZTGNLSA-N 2 1 253.415 2.177 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccnc(Cl)c3)C[C@@H]21 ZINC000230047639 639730006 /nfs/dbraw/zinc/73/00/06/639730006.db2.gz YJOMCUOXTRQIJP-FRRDWIJNSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccnc(Cl)c3)C[C@@H]21 ZINC000230047639 639730007 /nfs/dbraw/zinc/73/00/07/639730007.db2.gz YJOMCUOXTRQIJP-FRRDWIJNSA-N 2 1 265.788 2.294 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cscn2)C[C@H](C)O1 ZINC000062252766 639741160 /nfs/dbraw/zinc/74/11/60/639741160.db2.gz YRORQFWGTGSXBY-BETUJISGSA-N 2 1 283.441 2.122 20 0 CEADMP Cc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n(C)n1 ZINC000841881900 639897582 /nfs/dbraw/zinc/89/75/82/639897582.db2.gz DRJGGMQUCFNUAT-UHFFFAOYSA-N 2 1 276.428 2.036 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001014966836 639941483 /nfs/dbraw/zinc/94/14/83/639941483.db2.gz ZCUWZZREPSZGNJ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001014966836 639941486 /nfs/dbraw/zinc/94/14/86/639941486.db2.gz ZCUWZZREPSZGNJ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001014966836 639941489 /nfs/dbraw/zinc/94/14/89/639941489.db2.gz ZCUWZZREPSZGNJ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001014966836 639941490 /nfs/dbraw/zinc/94/14/90/639941490.db2.gz ZCUWZZREPSZGNJ-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](CCOc2ccccc2OC)C1 ZINC000088402621 639969354 /nfs/dbraw/zinc/96/93/54/639969354.db2.gz DHXPJUJNPBRUOS-CQSZACIVSA-N 2 1 278.396 2.005 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2ccccc2OC)C1 ZINC000088402621 639969356 /nfs/dbraw/zinc/96/93/56/639969356.db2.gz DHXPJUJNPBRUOS-CQSZACIVSA-N 2 1 278.396 2.005 20 0 CEADMP CC(C)([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000842207282 639977514 /nfs/dbraw/zinc/97/75/14/639977514.db2.gz NDICRJFMMHMEDS-HUUCEWRRSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CCCC1 ZINC000877040295 650543463 /nfs/dbraw/zinc/54/34/63/650543463.db2.gz BYJCIEIYIXWJST-HNNXBMFYSA-N 2 1 268.445 2.393 20 0 CEADMP COC[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C(C)C ZINC000929704667 640025520 /nfs/dbraw/zinc/02/55/20/640025520.db2.gz ZKWZKDMTLUYRHF-GJZGRUSLSA-N 2 1 256.434 2.179 20 0 CEADMP COC[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000929704667 640025525 /nfs/dbraw/zinc/02/55/25/640025525.db2.gz ZKWZKDMTLUYRHF-GJZGRUSLSA-N 2 1 256.434 2.179 20 0 CEADMP COC[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000929704667 640025529 /nfs/dbraw/zinc/02/55/29/640025529.db2.gz ZKWZKDMTLUYRHF-GJZGRUSLSA-N 2 1 256.434 2.179 20 0 CEADMP CCCCOC(=O)CC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000842476113 640074675 /nfs/dbraw/zinc/07/46/75/640074675.db2.gz HCBUPZYEQVHOSV-CQSZACIVSA-N 2 1 270.417 2.217 20 0 CEADMP [NH3+]CCCCCCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000842476018 640075595 /nfs/dbraw/zinc/07/55/95/640075595.db2.gz DLBMCLRGMDJCNA-OAHLLOKOSA-N 3 1 255.450 2.393 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)[nH]c1C ZINC000877073887 650560513 /nfs/dbraw/zinc/56/05/13/650560513.db2.gz VBNZZBQIWNMKEK-GXTWGEPZSA-N 2 1 293.411 2.072 20 0 CEADMP C[N@@H+](Cc1cn2cccc(F)c2n1)C1CCC([NH3+])CC1 ZINC000843055900 640258653 /nfs/dbraw/zinc/25/86/53/640258653.db2.gz RMRWLDTWOKZBPO-UHFFFAOYSA-N 2 1 276.359 2.175 20 0 CEADMP Cn1cc(C[N@@H+](C)C2CCC([NH3+])CC2)c(-c2cccnc2)n1 ZINC000843055753 640258738 /nfs/dbraw/zinc/25/87/38/640258738.db2.gz OSHPAMKBKWZWHE-UHFFFAOYSA-N 2 1 299.422 2.184 20 0 CEADMP CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)C[C@H]1CCC[NH2+]C1 ZINC000843061936 640263622 /nfs/dbraw/zinc/26/36/22/640263622.db2.gz JKRJKXMLONGNCY-DOTOQJQBSA-N 2 1 276.424 2.350 20 0 CEADMP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125873 640292036 /nfs/dbraw/zinc/29/20/36/640292036.db2.gz KBGMFMMWUVABMR-STQMWFEESA-N 2 1 296.846 2.203 20 0 CEADMP CC[NH2+]Cc1noc(-c2ccc(C[NH+](CC)CC)o2)n1 ZINC000843143272 640302675 /nfs/dbraw/zinc/30/26/75/640302675.db2.gz DWHGPWHXGSWBIL-UHFFFAOYSA-N 2 1 278.356 2.281 20 0 CEADMP C[N@@H+](CCOc1cccc(F)c1)C1CCC([NH3+])CC1 ZINC000843354730 640400217 /nfs/dbraw/zinc/40/02/17/640400217.db2.gz FNXGIDOOHKORGH-UHFFFAOYSA-N 2 1 266.360 2.406 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000843388863 640413689 /nfs/dbraw/zinc/41/36/89/640413689.db2.gz BNDSPWTZEUHDAU-CABCVRRESA-N 2 1 295.814 2.063 20 0 CEADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001015597582 640505711 /nfs/dbraw/zinc/50/57/11/640505711.db2.gz VKUQWGHMHCVGMR-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001015597582 640505717 /nfs/dbraw/zinc/50/57/17/640505717.db2.gz VKUQWGHMHCVGMR-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597582 640505718 /nfs/dbraw/zinc/50/57/18/640505718.db2.gz VKUQWGHMHCVGMR-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCCCCC[NH3+])C[C@@H]1C ZINC000844185693 640626683 /nfs/dbraw/zinc/62/66/83/640626683.db2.gz PATCXRRXVPQNNB-GJZGRUSLSA-N 2 1 283.460 2.227 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCNc2ccccc2)[C@H](C)C1 ZINC000766514125 640688402 /nfs/dbraw/zinc/68/84/02/640688402.db2.gz FWHOSNDTTNHMQV-ZBFHGGJFSA-N 2 1 261.413 2.418 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994080282 640693593 /nfs/dbraw/zinc/69/35/93/640693593.db2.gz MSCJOXYHBGGDKX-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)nc(C)[nH+]1 ZINC000917064501 640845507 /nfs/dbraw/zinc/84/55/07/640845507.db2.gz XNIJLONZYCNREE-OAHLLOKOSA-N 2 1 290.411 2.149 20 0 CEADMP COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000154728535 640959271 /nfs/dbraw/zinc/95/92/71/640959271.db2.gz QRHSQYDVASSSAS-MRXNPFEDSA-N 2 1 290.407 2.174 20 0 CEADMP COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154728535 640959273 /nfs/dbraw/zinc/95/92/73/640959273.db2.gz QRHSQYDVASSSAS-MRXNPFEDSA-N 2 1 290.407 2.174 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154833352 640997379 /nfs/dbraw/zinc/99/73/79/640997379.db2.gz VANCFTFLFBQMNN-UHFFFAOYSA-N 2 1 292.423 2.348 20 0 CEADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925474937 641100294 /nfs/dbraw/zinc/10/02/94/641100294.db2.gz SMRFHVGQMRPHLA-CZUORRHYSA-N 2 1 295.471 2.144 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846217650 641225976 /nfs/dbraw/zinc/22/59/76/641225976.db2.gz GUQXCXDBEMYAQC-OAHLLOKOSA-N 2 1 283.460 2.134 20 0 CEADMP Cn1nccc1[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846219944 641229229 /nfs/dbraw/zinc/22/92/29/641229229.db2.gz DGICNAFOQYQUGW-AWEZNQCLSA-N 2 1 264.417 2.119 20 0 CEADMP COc1ccccc1[C@@H]1CNCC[N@@H+]1CCCCCC[NH3+] ZINC000846220609 641229514 /nfs/dbraw/zinc/22/95/14/641229514.db2.gz RMBMSLCNRRVQCP-INIZCTEOSA-N 2 1 291.439 2.161 20 0 CEADMP COc1ccccc1[C@@H]1CNCC[N@H+]1CCCCCC[NH3+] ZINC000846220609 641229518 /nfs/dbraw/zinc/22/95/18/641229518.db2.gz RMBMSLCNRRVQCP-INIZCTEOSA-N 2 1 291.439 2.161 20 0 CEADMP Cc1cc([C@@H]2CCC[N@@H+]2CCCc2cncn2C)no1 ZINC000846766523 641416651 /nfs/dbraw/zinc/41/66/51/641416651.db2.gz SWTQYDATQXARTC-HNNXBMFYSA-N 2 1 274.368 2.486 20 0 CEADMP Cc1cc([C@@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)no1 ZINC000846766523 641416655 /nfs/dbraw/zinc/41/66/55/641416655.db2.gz SWTQYDATQXARTC-HNNXBMFYSA-N 2 1 274.368 2.486 20 0 CEADMP Cc1noc(C)c1C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000846768657 641417249 /nfs/dbraw/zinc/41/72/49/641417249.db2.gz BOCYNPGJCSENJZ-UHFFFAOYSA-N 2 1 262.357 2.090 20 0 CEADMP Cc1noc(C)c1C[N@H+](C)CCCc1c[nH+]cn1C ZINC000846768657 641417253 /nfs/dbraw/zinc/41/72/53/641417253.db2.gz BOCYNPGJCSENJZ-UHFFFAOYSA-N 2 1 262.357 2.090 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000846809124 641432966 /nfs/dbraw/zinc/43/29/66/641432966.db2.gz MVVWJFCAQPJPSQ-AWEZNQCLSA-N 2 1 288.395 2.387 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000846809124 641432971 /nfs/dbraw/zinc/43/29/71/641432971.db2.gz MVVWJFCAQPJPSQ-AWEZNQCLSA-N 2 1 288.395 2.387 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1(Br)CC1 ZINC000846832075 641443083 /nfs/dbraw/zinc/44/30/83/641443083.db2.gz AHUVRNKJIUGKRG-UHFFFAOYSA-N 2 1 286.217 2.441 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1(Br)CC1 ZINC000846832075 641443088 /nfs/dbraw/zinc/44/30/88/641443088.db2.gz AHUVRNKJIUGKRG-UHFFFAOYSA-N 2 1 286.217 2.441 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)ccc1F ZINC000250765412 641552528 /nfs/dbraw/zinc/55/25/28/641552528.db2.gz RKSICLBVWAPKRT-HEHGZKQESA-N 2 1 296.361 2.215 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)ccc1F ZINC000250765412 641552531 /nfs/dbraw/zinc/55/25/31/641552531.db2.gz RKSICLBVWAPKRT-HEHGZKQESA-N 2 1 296.361 2.215 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250837612 641555891 /nfs/dbraw/zinc/55/58/91/641555891.db2.gz VYGXKSFOFSXSNJ-KKUMJFAQSA-N 2 1 283.460 2.131 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250837612 641555894 /nfs/dbraw/zinc/55/58/94/641555894.db2.gz VYGXKSFOFSXSNJ-KKUMJFAQSA-N 2 1 283.460 2.131 20 0 CEADMP CCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000080844740 641728299 /nfs/dbraw/zinc/72/82/99/641728299.db2.gz YOQUPHNGZJHGES-INIZCTEOSA-N 2 1 288.439 2.355 20 0 CEADMP COc1c(C)cc(C[NH2+]CCC[NH+]2CCC2)cc1C ZINC000848546063 642046015 /nfs/dbraw/zinc/04/60/15/642046015.db2.gz QQHAUZWQWVLUDH-UHFFFAOYSA-N 2 1 262.397 2.497 20 0 CEADMP CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000996981857 642167182 /nfs/dbraw/zinc/16/71/82/642167182.db2.gz YCXHWNMAMJDEHV-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](C)NC(=[NH2+])NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000848981616 642203817 /nfs/dbraw/zinc/20/38/17/642203817.db2.gz DTYOYSSTUVBJQZ-UKRRQHHQSA-N 2 1 276.428 2.072 20 0 CEADMP CC(C)CCNC(=[NH2+])NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000848987087 642209274 /nfs/dbraw/zinc/20/92/74/642209274.db2.gz HTOVSVUESUEMPQ-KBPBESRZSA-N 2 1 268.449 2.409 20 0 CEADMP COc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000848996361 642216043 /nfs/dbraw/zinc/21/60/43/642216043.db2.gz QTGLRRVUSAVOPB-ZDUSSCGKSA-N 2 1 290.411 2.362 20 0 CEADMP CC[C@@H]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849035407 642246558 /nfs/dbraw/zinc/24/65/58/642246558.db2.gz FOKGYJASMZISTK-QLFBSQMISA-N 2 1 280.460 2.411 20 0 CEADMP CC[N@@H+](CCCNC1=[NH+]CCCCN1)C1CCCCC1 ZINC000849218477 642287197 /nfs/dbraw/zinc/28/71/97/642287197.db2.gz XASHCGSQPKSZLK-UHFFFAOYSA-N 2 1 280.460 2.360 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CO1 ZINC000850038067 642549097 /nfs/dbraw/zinc/54/90/97/642549097.db2.gz KGSGWSFQAJPKSD-CABCVRRESA-N 2 1 286.379 2.233 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921720214 642559842 /nfs/dbraw/zinc/55/98/42/642559842.db2.gz ZRKUWGHEMFXQBK-CYBMUJFWSA-N 2 1 262.401 2.040 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000921720214 642559847 /nfs/dbraw/zinc/55/98/47/642559847.db2.gz ZRKUWGHEMFXQBK-CYBMUJFWSA-N 2 1 262.401 2.040 20 0 CEADMP O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000850372967 642687761 /nfs/dbraw/zinc/68/77/61/642687761.db2.gz BRNCQQOQWDWURP-UWWPHRKUSA-N 2 1 272.392 2.381 20 0 CEADMP O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000850372967 642687763 /nfs/dbraw/zinc/68/77/63/642687763.db2.gz BRNCQQOQWDWURP-UWWPHRKUSA-N 2 1 272.392 2.381 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCOC2(C)C)s1 ZINC000850409708 642703435 /nfs/dbraw/zinc/70/34/35/642703435.db2.gz YVTGHRQYVACPIV-LLVKDONJSA-N 2 1 283.441 2.109 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000850430703 642710845 /nfs/dbraw/zinc/71/08/45/642710845.db2.gz OMYDVEBIZMMBEJ-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1cnn(C3CCC3)c1)C2 ZINC000922026593 642847314 /nfs/dbraw/zinc/84/73/14/642847314.db2.gz UHALFMAPUVOYAT-ZDUSSCGKSA-N 2 1 285.395 2.157 20 0 CEADMP CC[C@@H](C)C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001003628456 642962684 /nfs/dbraw/zinc/96/26/84/642962684.db2.gz QCJVKAHMBDIFTI-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCO[C@H]2CCCCO2)CC1(C)C ZINC000922230720 642970838 /nfs/dbraw/zinc/97/08/38/642970838.db2.gz IPVULUGQNRSSKT-CABCVRRESA-N 2 1 284.444 2.382 20 0 CEADMP C[C@@H](CC[NH2+]Cc1cnn(C2CCC2)c1)[NH+](C)C ZINC000922255648 642985642 /nfs/dbraw/zinc/98/56/42/642985642.db2.gz VXRBYDUYKMWUIG-LBPRGKRZSA-N 2 1 250.390 2.038 20 0 CEADMP COc1cccc(C)c1C[NH2+]CCc1c[nH+]cn1C ZINC000922274516 642996462 /nfs/dbraw/zinc/99/64/62/642996462.db2.gz ZVCALUCBXLFXKX-UHFFFAOYSA-N 2 1 259.353 2.069 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3CCC(=O)O3)C2)CC1 ZINC000851741940 643139506 /nfs/dbraw/zinc/13/95/06/643139506.db2.gz PNIADDHSXOTPLV-CVEARBPZSA-N 2 1 294.439 2.136 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CCC(=O)O3)C2)CC1 ZINC000851741940 643139512 /nfs/dbraw/zinc/13/95/12/643139512.db2.gz PNIADDHSXOTPLV-CVEARBPZSA-N 2 1 294.439 2.136 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922731397 643235267 /nfs/dbraw/zinc/23/52/67/643235267.db2.gz NCSFZCYLTBTEKA-GXSJLCMTSA-N 2 1 273.302 2.436 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922732285 643236622 /nfs/dbraw/zinc/23/66/22/643236622.db2.gz TXWXLQRDHNZWJW-WHOHXGKFSA-N 2 1 262.319 2.401 20 0 CEADMP Cc1nc(C)c(CN2CCC[C@]3(CC[N@H+](C)C3)C2)o1 ZINC000852106318 643309929 /nfs/dbraw/zinc/30/99/29/643309929.db2.gz XIFLRGIWTRLCAW-OAHLLOKOSA-N 2 1 263.385 2.209 20 0 CEADMP COCC[N@H+](Cc1cc(C)ns1)CC1CC[NH+](C)CC1 ZINC000877664136 650839788 /nfs/dbraw/zinc/83/97/88/650839788.db2.gz IAGRCVHAMAUYSE-UHFFFAOYSA-N 2 1 297.468 2.242 20 0 CEADMP COCC[N@H+](Cc1ccncc1C)CC1CC[NH+](C)CC1 ZINC000877664441 650840442 /nfs/dbraw/zinc/84/04/42/650840442.db2.gz OWWVOMACUZFXJV-UHFFFAOYSA-N 2 1 291.439 2.180 20 0 CEADMP C[C@@H]1CCCC[C@H]1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669774 650842148 /nfs/dbraw/zinc/84/21/48/650842148.db2.gz YSOORLGGVPSEIF-XMTFNYHQSA-N 2 1 295.515 2.484 20 0 CEADMP CC(C)(C)SCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852707417 643520252 /nfs/dbraw/zinc/52/02/52/643520252.db2.gz IDUAKLKEKBKIFI-AWEZNQCLSA-N 2 1 286.485 2.049 20 0 CEADMP CC(C)(C)SCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852707417 643520254 /nfs/dbraw/zinc/52/02/54/643520254.db2.gz IDUAKLKEKBKIFI-AWEZNQCLSA-N 2 1 286.485 2.049 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)Cc2ccccc21 ZINC000852742159 643529624 /nfs/dbraw/zinc/52/96/24/643529624.db2.gz DIAHYEPQYRXPRB-HIFRSBDPSA-N 2 1 272.392 2.127 20 0 CEADMP CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852754366 643537452 /nfs/dbraw/zinc/53/74/52/643537452.db2.gz UKQMTSLSKIJFSA-GDBMZVCRSA-N 2 1 296.455 2.430 20 0 CEADMP O[C@H](CCc1ccccc1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923281203 643637060 /nfs/dbraw/zinc/63/70/60/643637060.db2.gz LFXTYSDVJSHFPA-GOSISDBHSA-N 2 1 288.435 2.197 20 0 CEADMP O[C@H](C[N@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000923282469 643638014 /nfs/dbraw/zinc/63/80/14/643638014.db2.gz SBNVSAVHMPKCGR-MRXNPFEDSA-N 2 1 296.361 2.215 20 0 CEADMP O[C@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000923282469 643638016 /nfs/dbraw/zinc/63/80/16/643638016.db2.gz SBNVSAVHMPKCGR-MRXNPFEDSA-N 2 1 296.361 2.215 20 0 CEADMP Cc1cc(C[N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923304344 643651438 /nfs/dbraw/zinc/65/14/38/643651438.db2.gz GBBYHYBJFRMACQ-AGUYFDCRSA-N 2 1 263.385 2.336 20 0 CEADMP Cc1cc(C[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000923304344 643651442 /nfs/dbraw/zinc/65/14/42/643651442.db2.gz GBBYHYBJFRMACQ-AGUYFDCRSA-N 2 1 263.385 2.336 20 0 CEADMP C[N@@H+](CCC1CCCCC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923312690 643652808 /nfs/dbraw/zinc/65/28/08/643652808.db2.gz NQHSFLQGNRGGQI-OAHLLOKOSA-N 2 1 266.429 2.267 20 0 CEADMP CCCO[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)CC1 ZINC000923313541 643653087 /nfs/dbraw/zinc/65/30/87/643653087.db2.gz VHDMJAVHKDZXAH-OAHLLOKOSA-N 2 1 254.418 2.410 20 0 CEADMP C[C@H](c1cccs1)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306618 643653495 /nfs/dbraw/zinc/65/34/95/643653495.db2.gz NNYZQGIQVCNOGQ-NEPJUHHUSA-N 2 1 266.410 2.119 20 0 CEADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923316447 643655815 /nfs/dbraw/zinc/65/58/15/643655815.db2.gz JNOYJTRQUWWSBR-LSDHHAIUSA-N 2 1 266.429 2.123 20 0 CEADMP CCC[C@]1(C)CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923317681 643656122 /nfs/dbraw/zinc/65/61/22/643656122.db2.gz VJPFCYWTRVJKCK-HUUCEWRRSA-N 2 1 266.429 2.267 20 0 CEADMP CCC[C@@]1(C)CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923317680 643656432 /nfs/dbraw/zinc/65/64/32/643656432.db2.gz VJPFCYWTRVJKCK-GJZGRUSLSA-N 2 1 266.429 2.267 20 0 CEADMP CC[N@@H+](C[C@H](O)Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000923334921 643667176 /nfs/dbraw/zinc/66/71/76/643667176.db2.gz HGVFTRBIZQTYBK-IAGOWNOFSA-N 2 1 276.424 2.054 20 0 CEADMP CCCCCC[C@@H](O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000923336162 643667992 /nfs/dbraw/zinc/66/79/92/643667992.db2.gz VXFCMNBJXXZUTQ-HUUCEWRRSA-N 2 1 256.434 2.392 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000923354665 643677922 /nfs/dbraw/zinc/67/79/22/643677922.db2.gz CWDGUHQTSUBOFG-SJORKVTESA-N 2 1 274.408 2.104 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1F ZINC000923353243 643678451 /nfs/dbraw/zinc/67/84/51/643678451.db2.gz JBSZKVJGHCHQKM-IUODEOHRSA-N 2 1 284.350 2.202 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(F)cc1F ZINC000923353243 643678453 /nfs/dbraw/zinc/67/84/53/643678453.db2.gz JBSZKVJGHCHQKM-IUODEOHRSA-N 2 1 284.350 2.202 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2[C@@H](C)CCN[C@H]2C)cc1 ZINC000923372943 643683907 /nfs/dbraw/zinc/68/39/07/643683907.db2.gz KJVHNVNVTZOPEU-WMHQRMGPSA-N 2 1 262.397 2.005 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000923381630 643688178 /nfs/dbraw/zinc/68/81/78/643688178.db2.gz FTRIFYRWJUJQQB-KZTGVZKYSA-N 2 1 298.377 2.303 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000923381630 643688181 /nfs/dbraw/zinc/68/81/81/643688181.db2.gz FTRIFYRWJUJQQB-KZTGVZKYSA-N 2 1 298.377 2.303 20 0 CEADMP C[C@H]1CC2(C[N@H+]1C[C@@H](O)Cc1ccccc1)CC[NH2+]CC2 ZINC000923382589 643688834 /nfs/dbraw/zinc/68/88/34/643688834.db2.gz DEVDOLOSOGONNV-RDJZCZTQSA-N 2 1 288.435 2.054 20 0 CEADMP C(C1CCCC1)[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923390261 643690356 /nfs/dbraw/zinc/69/03/56/643690356.db2.gz VBUAMFUEFTZOHG-JKSUJKDBSA-N 2 1 278.440 2.410 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000923391735 643690399 /nfs/dbraw/zinc/69/03/99/643690399.db2.gz YVZWMPSUENMECS-AWEZNQCLSA-N 2 1 277.412 2.449 20 0 CEADMP CCCCCC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923398513 643696833 /nfs/dbraw/zinc/69/68/33/643696833.db2.gz KRFYYCIXBZETKB-UONOGXRCSA-N 2 1 254.418 2.192 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000923412635 643701190 /nfs/dbraw/zinc/70/11/90/643701190.db2.gz RXVWEWAGRNAVGG-MDASCCDHSA-N 2 1 298.430 2.270 20 0 CEADMP Fc1cccc(O[C@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)c1 ZINC000923413317 643702274 /nfs/dbraw/zinc/70/22/74/643702274.db2.gz FFNCNTCSBWELTA-INIZCTEOSA-N 2 1 278.371 2.421 20 0 CEADMP Fc1cccc(O[C@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)c1 ZINC000923413317 643702275 /nfs/dbraw/zinc/70/22/75/643702275.db2.gz FFNCNTCSBWELTA-INIZCTEOSA-N 2 1 278.371 2.421 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@H](O)c1ccc(F)c(F)c1 ZINC000923426775 643705914 /nfs/dbraw/zinc/70/59/14/643705914.db2.gz QNUPCKNMSKOLCC-HNNXBMFYSA-N 2 1 286.366 2.449 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@@H](O)c1ccc(F)c(F)c1 ZINC000923426776 643706128 /nfs/dbraw/zinc/70/61/28/643706128.db2.gz QNUPCKNMSKOLCC-OAHLLOKOSA-N 2 1 286.366 2.449 20 0 CEADMP Cc1nc([C@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)no1 ZINC000923427922 643707190 /nfs/dbraw/zinc/70/71/90/643707190.db2.gz FHPDTFHUPUELEE-WIGRTHMWSA-N 2 1 290.411 2.088 20 0 CEADMP C(C[N@H+]1CC[C@H]([C@H]2CCCO2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923428723 643707404 /nfs/dbraw/zinc/70/74/04/643707404.db2.gz QNZCRWBBXYMJQV-LMBMLGAESA-N 2 1 278.440 2.408 20 0 CEADMP c1[nH]nc2c1[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000853239898 643719421 /nfs/dbraw/zinc/71/94/21/643719421.db2.gz KARURKDIPMGKBF-GOEBONIOSA-N 2 1 288.439 2.499 20 0 CEADMP Cc1ccc(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)c(C)c1 ZINC000853247830 643721009 /nfs/dbraw/zinc/72/10/09/643721009.db2.gz CDSMDSALPKXILO-GOSISDBHSA-N 2 1 287.451 2.425 20 0 CEADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c(Cl)nc(Cl)n1C ZINC000853247087 643721387 /nfs/dbraw/zinc/72/13/87/643721387.db2.gz BQYSFNZAANIHBO-MRVPVSSYSA-N 2 1 279.215 2.190 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000923478377 643729115 /nfs/dbraw/zinc/72/91/15/643729115.db2.gz BDZIGEITCZXAEE-JTQLQIEISA-N 2 1 284.306 2.179 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)CC[C@@H]1C[NH3+] ZINC000923495278 643733757 /nfs/dbraw/zinc/73/37/57/643733757.db2.gz ABZTYGHKQZZOSG-GHMZBOCLSA-N 2 1 253.777 2.152 20 0 CEADMP C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496499 643733928 /nfs/dbraw/zinc/73/39/28/643733928.db2.gz JANIPEFIJLMMMN-QLFBSQMISA-N 2 1 299.422 2.245 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923495309 643734205 /nfs/dbraw/zinc/73/42/05/643734205.db2.gz AJOKDQFJYALJOB-DOMZBBRYSA-N 2 1 275.396 2.062 20 0 CEADMP C[C@@H]1C[N@@H+](CCSC(F)(F)F)CC[C@H]1C[NH3+] ZINC000923492254 643736160 /nfs/dbraw/zinc/73/61/60/643736160.db2.gz MLTJSYBSXNAWTA-BDAKNGLRSA-N 2 1 256.337 2.156 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)CC[C@H]1C[NH3+] ZINC000923491097 643736301 /nfs/dbraw/zinc/73/63/01/643736301.db2.gz QRJMYIRCPWFPLQ-RDBSUJKOSA-N 2 1 252.402 2.005 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccc(F)cc1 ZINC000923492932 643737469 /nfs/dbraw/zinc/73/74/69/643737469.db2.gz ZOVACLPMRHVSCS-JGGQBBKZSA-N 2 1 280.387 2.430 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2cccc(F)c2)CC[C@@H]1C[NH3+] ZINC000923502156 643738625 /nfs/dbraw/zinc/73/86/25/643738625.db2.gz XSIHJYCRWABHRO-CHWSQXEVSA-N 2 1 266.360 2.121 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC[C@H]1C[NH3+] ZINC000923499041 643740908 /nfs/dbraw/zinc/74/09/08/643740908.db2.gz QKEKPVSKCWCZQD-PWSUYJOCSA-N 2 1 254.324 2.382 20 0 CEADMP C[C@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923504723 643743563 /nfs/dbraw/zinc/74/35/63/643743563.db2.gz UMZLZBBCVJIFHI-STQMWFEESA-N 2 1 266.360 2.121 20 0 CEADMP C(C[N@H+]1CCOC[C@@H]1CC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923552988 643759122 /nfs/dbraw/zinc/75/91/22/643759122.db2.gz GLMGPQLVSCOYPA-HMQMGEFJSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CC3Cc4ccccc4C3)CC[C@@H]21 ZINC000877740605 650884009 /nfs/dbraw/zinc/88/40/09/650884009.db2.gz KKUBZTMMEQJWPJ-MSOLQXFVSA-N 2 1 270.420 2.427 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CC3Cc4ccccc4C3)CC[C@@H]21 ZINC000877740605 650884012 /nfs/dbraw/zinc/88/40/12/650884012.db2.gz KKUBZTMMEQJWPJ-MSOLQXFVSA-N 2 1 270.420 2.427 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3Cc4ccccc4C3)CC[C@@H]21 ZINC000877740605 650884014 /nfs/dbraw/zinc/88/40/14/650884014.db2.gz KKUBZTMMEQJWPJ-MSOLQXFVSA-N 2 1 270.420 2.427 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4c(c3)COC4)CC[C@H]21 ZINC000877741354 650886416 /nfs/dbraw/zinc/88/64/16/650886416.db2.gz AQGNXLIXLAXTGS-WMLDXEAASA-N 2 1 272.392 2.243 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc4c(c3)COC4)CC[C@H]21 ZINC000877741354 650886419 /nfs/dbraw/zinc/88/64/19/650886419.db2.gz AQGNXLIXLAXTGS-WMLDXEAASA-N 2 1 272.392 2.243 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4c(c3)COC4)CC[C@H]21 ZINC000877741354 650886424 /nfs/dbraw/zinc/88/64/24/650886424.db2.gz AQGNXLIXLAXTGS-WMLDXEAASA-N 2 1 272.392 2.243 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)COC4)CC[C@H]21 ZINC000877741354 650886427 /nfs/dbraw/zinc/88/64/27/650886427.db2.gz AQGNXLIXLAXTGS-WMLDXEAASA-N 2 1 272.392 2.243 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@]3(C)CCCS3)CC[C@H]21 ZINC000877743162 650888644 /nfs/dbraw/zinc/88/86/44/650888644.db2.gz UIBHOFQTZAUJTI-MGPQQGTHSA-N 2 1 254.443 2.298 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@]3(C)CCCS3)CC[C@H]21 ZINC000877743162 650888645 /nfs/dbraw/zinc/88/86/45/650888645.db2.gz UIBHOFQTZAUJTI-MGPQQGTHSA-N 2 1 254.443 2.298 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@]3(C)CCCS3)CC[C@H]21 ZINC000877743162 650888648 /nfs/dbraw/zinc/88/86/48/650888648.db2.gz UIBHOFQTZAUJTI-MGPQQGTHSA-N 2 1 254.443 2.298 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@]3(C)CCCS3)CC[C@H]21 ZINC000877743162 650888650 /nfs/dbraw/zinc/88/86/50/650888650.db2.gz UIBHOFQTZAUJTI-MGPQQGTHSA-N 2 1 254.443 2.298 20 0 CEADMP CO[C@]1(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)CCOC1 ZINC000877767837 650903446 /nfs/dbraw/zinc/90/34/46/650903446.db2.gz WXIQKPSKKOWNTO-KRWDZBQOSA-N 2 1 298.471 2.092 20 0 CEADMP CC(C)C[N@H+](Cc1cnn(C)c1)CC1CC[NH+](C)CC1 ZINC000877767458 650903466 /nfs/dbraw/zinc/90/34/66/650903466.db2.gz KDUNBGCUZJXWMJ-UHFFFAOYSA-N 2 1 278.444 2.220 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)/C=C1/CC[C@@H](C)C1 ZINC000855345434 644311829 /nfs/dbraw/zinc/31/18/29/644311829.db2.gz AHVDQLPRWWNRHG-IADCZWJFSA-N 2 1 295.471 2.121 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)/C=C1/CC[C@@H](C)C1 ZINC000855345434 644311838 /nfs/dbraw/zinc/31/18/38/644311838.db2.gz AHVDQLPRWWNRHG-IADCZWJFSA-N 2 1 295.471 2.121 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CCO)c1cccs1 ZINC000754383929 644365778 /nfs/dbraw/zinc/36/57/78/644365778.db2.gz PUJCHGXLSOEJIK-QWHCGFSZSA-N 2 1 268.426 2.246 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CCO)c1cccs1 ZINC000754383929 644365781 /nfs/dbraw/zinc/36/57/81/644365781.db2.gz PUJCHGXLSOEJIK-QWHCGFSZSA-N 2 1 268.426 2.246 20 0 CEADMP C[C@@H]([NH2+]CCC1OCCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754466951 644377451 /nfs/dbraw/zinc/37/74/51/644377451.db2.gz YZGJCAOZXBPHNP-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP C[C@@H]([NH2+]CCC1OCCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754466937 644377522 /nfs/dbraw/zinc/37/75/22/644377522.db2.gz YZGJCAOZXBPHNP-CABCVRRESA-N 2 1 296.455 2.382 20 0 CEADMP c1ccc2c(c1)C[C@H](C[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CO2 ZINC000754785809 644430057 /nfs/dbraw/zinc/43/00/57/644430057.db2.gz ONDGGANMYOQZKW-PVAVHDDUSA-N 2 1 286.419 2.454 20 0 CEADMP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CO2 ZINC000754785797 644430345 /nfs/dbraw/zinc/43/03/45/644430345.db2.gz ONDGGANMYOQZKW-DJIMGWMZSA-N 2 1 286.419 2.454 20 0 CEADMP CC[N@@H+]1CCC[C@H](N[C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925489883 644597263 /nfs/dbraw/zinc/59/72/63/644597263.db2.gz AUOZLNLOFVIASK-ULQDDVLXSA-N 2 1 279.472 2.229 20 0 CEADMP CC[N@H+]1CCC[C@H](N[C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925489883 644597266 /nfs/dbraw/zinc/59/72/66/644597266.db2.gz AUOZLNLOFVIASK-ULQDDVLXSA-N 2 1 279.472 2.229 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000758204330 644898709 /nfs/dbraw/zinc/89/87/09/644898709.db2.gz WNGUAUVMMVYACL-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000758204330 644898714 /nfs/dbraw/zinc/89/87/14/644898714.db2.gz WNGUAUVMMVYACL-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000758204330 644898719 /nfs/dbraw/zinc/89/87/19/644898719.db2.gz WNGUAUVMMVYACL-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000857855085 644981853 /nfs/dbraw/zinc/98/18/53/644981853.db2.gz NXGKNBQPVFYBSA-OAHLLOKOSA-N 2 1 276.428 2.499 20 0 CEADMP c1[nH]nc2c1CCC[C@@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000857871451 644991421 /nfs/dbraw/zinc/99/14/21/644991421.db2.gz PMFCGCNONMRADC-INIZCTEOSA-N 2 1 288.439 2.499 20 0 CEADMP Cc1nn(C)cc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739042 645034519 /nfs/dbraw/zinc/03/45/19/645034519.db2.gz VERFXFXBLQVMDQ-UHFFFAOYSA-N 2 1 286.423 2.422 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCO)Cc2ccccc2)CC1(C)C ZINC000858161601 645078054 /nfs/dbraw/zinc/07/80/54/645078054.db2.gz BTFBKKFSDNHRAA-SJORKVTESA-N 2 1 290.451 2.443 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC[NH+]2CCCC2)C1 ZINC000760842973 645200281 /nfs/dbraw/zinc/20/02/81/645200281.db2.gz GQTBKDYXHPDYLO-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP OCc1cc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc[nH+]1 ZINC000858635469 645227143 /nfs/dbraw/zinc/22/71/43/645227143.db2.gz IJOCLZXEJNAXOI-CQSZACIVSA-N 2 1 275.396 2.108 20 0 CEADMP O=C1O[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC12CC2 ZINC000763685824 645565732 /nfs/dbraw/zinc/56/57/32/645565732.db2.gz HQKKIAXNLDRIHG-GJZGRUSLSA-N 2 1 292.423 2.032 20 0 CEADMP O=C1O[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC12CC2 ZINC000763685824 645565735 /nfs/dbraw/zinc/56/57/35/645565735.db2.gz HQKKIAXNLDRIHG-GJZGRUSLSA-N 2 1 292.423 2.032 20 0 CEADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000860180362 645728292 /nfs/dbraw/zinc/72/82/92/645728292.db2.gz QXVPLFYGENSQCA-JIYQYTEPSA-N 2 1 266.429 2.121 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000878235472 651042650 /nfs/dbraw/zinc/04/26/50/651042650.db2.gz HFYDBDKCAPDUNZ-VNQPRFMTSA-N 2 1 266.429 2.406 20 0 CEADMP C=C/C=C\CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000878287491 651054436 /nfs/dbraw/zinc/05/44/36/651054436.db2.gz DRWBKIDAORWVSV-XTYCPRDBSA-N 2 1 264.413 2.302 20 0 CEADMP CC(C)[C@H](O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000878287110 651053133 /nfs/dbraw/zinc/05/31/33/651053133.db2.gz WUHNFDGEOTVZGB-BHYGNILZSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@H](O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000878287110 651053137 /nfs/dbraw/zinc/05/31/37/651053137.db2.gz WUHNFDGEOTVZGB-BHYGNILZSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@H](O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000878287110 651053139 /nfs/dbraw/zinc/05/31/39/651053139.db2.gz WUHNFDGEOTVZGB-BHYGNILZSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@H](O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000878287110 651053143 /nfs/dbraw/zinc/05/31/43/651053143.db2.gz WUHNFDGEOTVZGB-BHYGNILZSA-N 2 1 280.456 2.342 20 0 CEADMP C=C/C=C/CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000878287489 651054105 /nfs/dbraw/zinc/05/41/05/651054105.db2.gz DRWBKIDAORWVSV-ONILBQQISA-N 2 1 264.413 2.302 20 0 CEADMP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000767351923 645979680 /nfs/dbraw/zinc/97/96/80/645979680.db2.gz ASKZBVGUNUQSOQ-BDXSIMOUSA-N 2 1 286.419 2.243 20 0 CEADMP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000767351923 645979684 /nfs/dbraw/zinc/97/96/84/645979684.db2.gz ASKZBVGUNUQSOQ-BDXSIMOUSA-N 2 1 286.419 2.243 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CCC(=O)C2CC2)C[C@@H]1C ZINC000767413751 645987814 /nfs/dbraw/zinc/98/78/14/645987814.db2.gz FMPQEFYBNGOXEO-GXTWGEPZSA-N 2 1 252.402 2.160 20 0 CEADMP CC[N@@H+]1CC[C@@H](N(C)CCC(=O)C2CC2)C[C@@H]1C ZINC000767413751 645987816 /nfs/dbraw/zinc/98/78/16/645987816.db2.gz FMPQEFYBNGOXEO-GXTWGEPZSA-N 2 1 252.402 2.160 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CCC(=O)C2CC2)C[C@@H]1C ZINC000767413751 645987818 /nfs/dbraw/zinc/98/78/18/645987818.db2.gz FMPQEFYBNGOXEO-GXTWGEPZSA-N 2 1 252.402 2.160 20 0 CEADMP CCOC(CN(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)OCC ZINC000767792328 646040881 /nfs/dbraw/zinc/04/08/81/646040881.db2.gz LLVXIXVGGSXAIR-KBPBESRZSA-N 2 1 272.433 2.190 20 0 CEADMP CCOC(C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1)OCC ZINC000767792328 646040884 /nfs/dbraw/zinc/04/08/84/646040884.db2.gz LLVXIXVGGSXAIR-KBPBESRZSA-N 2 1 272.433 2.190 20 0 CEADMP CCOC(C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1)OCC ZINC000767792328 646040890 /nfs/dbraw/zinc/04/08/90/646040890.db2.gz LLVXIXVGGSXAIR-KBPBESRZSA-N 2 1 272.433 2.190 20 0 CEADMP CCOC(C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)OCC ZINC000767792328 646040898 /nfs/dbraw/zinc/04/08/98/646040898.db2.gz LLVXIXVGGSXAIR-KBPBESRZSA-N 2 1 272.433 2.190 20 0 CEADMP CCOC(C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)OCC ZINC000767792328 646040902 /nfs/dbraw/zinc/04/09/02/646040902.db2.gz LLVXIXVGGSXAIR-KBPBESRZSA-N 2 1 272.433 2.190 20 0 CEADMP CCCCC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000768159633 646090684 /nfs/dbraw/zinc/09/06/84/646090684.db2.gz PDZRPSYNMXFXAK-JKSUJKDBSA-N 2 1 268.445 2.488 20 0 CEADMP CCCCC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000768159633 646090689 /nfs/dbraw/zinc/09/06/89/646090689.db2.gz PDZRPSYNMXFXAK-JKSUJKDBSA-N 2 1 268.445 2.488 20 0 CEADMP CC(C)OC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000772977716 646691827 /nfs/dbraw/zinc/69/18/27/646691827.db2.gz LQEMYLKQZZMEBW-ZFWWWQNUSA-N 2 1 297.443 2.068 20 0 CEADMP CC(C)OC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000772977716 646691828 /nfs/dbraw/zinc/69/18/28/646691828.db2.gz LQEMYLKQZZMEBW-ZFWWWQNUSA-N 2 1 297.443 2.068 20 0 CEADMP Cc1cc(F)ccc1[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000863542175 646752023 /nfs/dbraw/zinc/75/20/23/646752023.db2.gz SSQYONBTVOBVBS-LBPRGKRZSA-N 2 1 266.360 2.293 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc2cccc(OC)c2o1 ZINC000863647289 646776229 /nfs/dbraw/zinc/77/62/29/646776229.db2.gz IGYJWEWEZKYMDH-UHFFFAOYSA-N 2 1 292.379 2.109 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000864054939 646874794 /nfs/dbraw/zinc/87/47/94/646874794.db2.gz DXAKANCCOCBNML-HUUCEWRRSA-N 2 1 273.380 2.005 20 0 CEADMP C[C@H](CNC(=[NH2+])NCCC1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000864452805 647009263 /nfs/dbraw/zinc/00/92/63/647009263.db2.gz JVZIZNBEXZPEMS-CHWSQXEVSA-N 2 1 266.433 2.021 20 0 CEADMP CCC(CC)NC(=[NH2+])NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000864457296 647012717 /nfs/dbraw/zinc/01/27/17/647012717.db2.gz RJZYVDZKSHYSJR-ZDUSSCGKSA-N 2 1 268.449 2.409 20 0 CEADMP Cc1ccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000777277104 647124689 /nfs/dbraw/zinc/12/46/89/647124689.db2.gz YVOJEWWSHAIUFL-STQMWFEESA-N 2 1 262.401 2.351 20 0 CEADMP Cc1ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000777277104 647124691 /nfs/dbraw/zinc/12/46/91/647124691.db2.gz YVOJEWWSHAIUFL-STQMWFEESA-N 2 1 262.401 2.351 20 0 CEADMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)Cc1ccsc1 ZINC000778372640 647223987 /nfs/dbraw/zinc/22/39/87/647223987.db2.gz CPJLGELFIPELRH-GOEBONIOSA-N 2 1 296.480 2.458 20 0 CEADMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)Cc1ccsc1 ZINC000778372640 647223990 /nfs/dbraw/zinc/22/39/90/647223990.db2.gz CPJLGELFIPELRH-GOEBONIOSA-N 2 1 296.480 2.458 20 0 CEADMP CC[C@H](C[NH2+]C1CCC(CNC(C)=O)CC1)[NH+]1CCCC1 ZINC000865411639 647280580 /nfs/dbraw/zinc/28/05/80/647280580.db2.gz HMWKYDBRRLTHHJ-OFLPRAFFSA-N 2 1 295.471 2.145 20 0 CEADMP CC(=O)NCC1CCC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000865435515 647291140 /nfs/dbraw/zinc/29/11/40/647291140.db2.gz JNJNRHFDSLCVOA-AQFXKWCLSA-N 2 1 295.471 2.001 20 0 CEADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(CC2CCC2)c1 ZINC000865509410 647332801 /nfs/dbraw/zinc/33/28/01/647332801.db2.gz XSVPKJYWBVIPET-GOSISDBHSA-N 2 1 290.451 2.431 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000865527898 647342233 /nfs/dbraw/zinc/34/22/33/647342233.db2.gz RXFFRZNHJIDNBU-LLVKDONJSA-N 2 1 285.313 2.419 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000865527898 647342236 /nfs/dbraw/zinc/34/22/36/647342236.db2.gz RXFFRZNHJIDNBU-LLVKDONJSA-N 2 1 285.313 2.419 20 0 CEADMP CC(=O)NCC1CCC([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000865641068 647401725 /nfs/dbraw/zinc/40/17/25/647401725.db2.gz SBGOYKVUYKFETH-CGZBRXJRSA-N 2 1 295.471 2.003 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000781183778 647505253 /nfs/dbraw/zinc/50/52/53/647505253.db2.gz LKTOSQOUEOONSI-OAHLLOKOSA-N 2 1 295.471 2.265 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000781183778 647505257 /nfs/dbraw/zinc/50/52/57/647505257.db2.gz LKTOSQOUEOONSI-OAHLLOKOSA-N 2 1 295.471 2.265 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000781183778 647505259 /nfs/dbraw/zinc/50/52/59/647505259.db2.gz LKTOSQOUEOONSI-OAHLLOKOSA-N 2 1 295.471 2.265 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000781183777 647505376 /nfs/dbraw/zinc/50/53/76/647505376.db2.gz LKTOSQOUEOONSI-HNNXBMFYSA-N 2 1 295.471 2.265 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000781183777 647505378 /nfs/dbraw/zinc/50/53/78/647505378.db2.gz LKTOSQOUEOONSI-HNNXBMFYSA-N 2 1 295.471 2.265 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000781183777 647505379 /nfs/dbraw/zinc/50/53/79/647505379.db2.gz LKTOSQOUEOONSI-HNNXBMFYSA-N 2 1 295.471 2.265 20 0 CEADMP CCOCOc1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000782955141 647665375 /nfs/dbraw/zinc/66/53/75/647665375.db2.gz CLDQHQPNXMFYPE-UHFFFAOYSA-N 2 1 289.379 2.354 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000866248327 647693683 /nfs/dbraw/zinc/69/36/83/647693683.db2.gz MWTBQAVXVIDQQW-UGUYLWEFSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@H](CCc1cccnc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000866274163 647710595 /nfs/dbraw/zinc/71/05/95/647710595.db2.gz XBQZHMHBUKCWOV-YCPHGPKFSA-N 2 1 261.413 2.475 20 0 CEADMP C[C@H](CCc1cccnc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000866274163 647710596 /nfs/dbraw/zinc/71/05/96/647710596.db2.gz XBQZHMHBUKCWOV-YCPHGPKFSA-N 2 1 261.413 2.475 20 0 CEADMP Cn1cc(C(F)F)c(CN[C@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000866568253 647828381 /nfs/dbraw/zinc/82/83/81/647828381.db2.gz SANJONUHOHLPIC-SCDSUCTJSA-N 2 1 298.381 2.320 20 0 CEADMP Cn1cc(C(F)F)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000866568253 647828385 /nfs/dbraw/zinc/82/83/85/647828385.db2.gz SANJONUHOHLPIC-SCDSUCTJSA-N 2 1 298.381 2.320 20 0 CEADMP Cn1cc(C(F)F)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000866568253 647828387 /nfs/dbraw/zinc/82/83/87/647828387.db2.gz SANJONUHOHLPIC-SCDSUCTJSA-N 2 1 298.381 2.320 20 0 CEADMP CCCN(CCC)C(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702286 647874569 /nfs/dbraw/zinc/87/45/69/647874569.db2.gz AEQVFGGFIPXKSE-KRWDZBQOSA-N 2 1 297.487 2.332 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702286 647874572 /nfs/dbraw/zinc/87/45/72/647874572.db2.gz AEQVFGGFIPXKSE-KRWDZBQOSA-N 2 1 297.487 2.332 20 0 CEADMP Cc1[nH+]ccn1CCOC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786885315 648054147 /nfs/dbraw/zinc/05/41/47/648054147.db2.gz XCDCDECOIHKEFQ-OAHLLOKOSA-N 2 1 291.395 2.142 20 0 CEADMP Cc1[nH+]ccn1CCOC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000786885315 648054150 /nfs/dbraw/zinc/05/41/50/648054150.db2.gz XCDCDECOIHKEFQ-OAHLLOKOSA-N 2 1 291.395 2.142 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000788816803 648226859 /nfs/dbraw/zinc/22/68/59/648226859.db2.gz HKWKROGIQWTRJD-NSHDSACASA-N 2 1 260.341 2.033 20 0 CEADMP CN(CC[N@@H+](C)CC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000792222655 648627614 /nfs/dbraw/zinc/62/76/14/648627614.db2.gz XETKZSOSJCKYOE-UHFFFAOYSA-N 2 1 299.459 2.127 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CC3(CCC3)C(=O)O2)C[C@H]1C ZINC000792237004 648629661 /nfs/dbraw/zinc/62/96/61/648629661.db2.gz QMRPJFYOOOJZGV-QLFBSQMISA-N 2 1 294.439 2.277 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC3(CCC3)C(=O)O2)C[C@H]1C ZINC000792237004 648629664 /nfs/dbraw/zinc/62/96/64/648629664.db2.gz QMRPJFYOOOJZGV-QLFBSQMISA-N 2 1 294.439 2.277 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)C[C@H]1C ZINC000792237004 648629668 /nfs/dbraw/zinc/62/96/68/648629668.db2.gz QMRPJFYOOOJZGV-QLFBSQMISA-N 2 1 294.439 2.277 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)C[C@H]1C ZINC000792237004 648629670 /nfs/dbraw/zinc/62/96/70/648629670.db2.gz QMRPJFYOOOJZGV-QLFBSQMISA-N 2 1 294.439 2.277 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)n(C)n1 ZINC000793527048 648770046 /nfs/dbraw/zinc/77/00/46/648770046.db2.gz SLOXLMXLIOVRIX-CYBMUJFWSA-N 2 1 252.406 2.109 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)n(C)n1 ZINC000793527048 648770053 /nfs/dbraw/zinc/77/00/53/648770053.db2.gz SLOXLMXLIOVRIX-CYBMUJFWSA-N 2 1 252.406 2.109 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C[C@H](O)c2c(F)cccc2F)CC[N@H+]1C ZINC000123638846 649082840 /nfs/dbraw/zinc/08/28/40/649082840.db2.gz OMWPVYGBVBHTTN-XUJVJEKNSA-N 2 1 298.377 2.413 20 0 CEADMP CCO[C@@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000871784475 649184030 /nfs/dbraw/zinc/18/40/30/649184030.db2.gz GJAUNSQCXZZCBV-DKUMPPAJSA-N 2 1 295.427 2.173 20 0 CEADMP CCO[C@@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000871784475 649184033 /nfs/dbraw/zinc/18/40/33/649184033.db2.gz GJAUNSQCXZZCBV-DKUMPPAJSA-N 2 1 295.427 2.173 20 0 CEADMP COC1(CCO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC1 ZINC000871784452 649184460 /nfs/dbraw/zinc/18/44/60/649184460.db2.gz FWTXUOXXPFXBBN-AGUYFDCRSA-N 2 1 295.427 2.317 20 0 CEADMP COC1(CCO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000871784452 649184464 /nfs/dbraw/zinc/18/44/64/649184464.db2.gz FWTXUOXXPFXBBN-AGUYFDCRSA-N 2 1 295.427 2.317 20 0 CEADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)CCO1 ZINC000872028689 649245845 /nfs/dbraw/zinc/24/58/45/649245845.db2.gz SAFNATIKKFEKLY-GOEBONIOSA-N 2 1 298.471 2.017 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1(C)C ZINC000872108511 649280232 /nfs/dbraw/zinc/28/02/32/649280232.db2.gz VAZMRDWSKMPRFT-AJNGGQMLSA-N 2 1 266.429 2.406 20 0 CEADMP [NH3+]CC1CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000872142279 649291476 /nfs/dbraw/zinc/29/14/76/649291476.db2.gz RHLCYDNEORFBDY-UHFFFAOYSA-N 2 1 262.275 2.469 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1C ZINC000872141907 649291631 /nfs/dbraw/zinc/29/16/31/649291631.db2.gz ZGNNSEOLJDTBOV-DZGCQCFKSA-N 2 1 290.407 2.341 20 0 CEADMP COC(=O)c1cc(C[NH+]2CCC(C)([NH3+])CC2)ccc1C ZINC000872143039 649291926 /nfs/dbraw/zinc/29/19/26/649291926.db2.gz ICFQNWJLPKNAMC-UHFFFAOYSA-N 2 1 276.380 2.095 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000872142818 649292121 /nfs/dbraw/zinc/29/21/21/649292121.db2.gz FDTTUMBFBUUTNL-UONOGXRCSA-N 2 1 252.402 2.149 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872144085 649293720 /nfs/dbraw/zinc/29/37/20/649293720.db2.gz BRWGNAXKUYOEPF-KEYQJZJPSA-N 2 1 264.413 2.147 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872144085 649293724 /nfs/dbraw/zinc/29/37/24/649293724.db2.gz BRWGNAXKUYOEPF-KEYQJZJPSA-N 2 1 264.413 2.147 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000872145560 649295393 /nfs/dbraw/zinc/29/53/93/649295393.db2.gz UGBYAVKZNZUREW-CYBMUJFWSA-N 2 1 252.402 2.020 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000872145560 649295398 /nfs/dbraw/zinc/29/53/98/649295398.db2.gz UGBYAVKZNZUREW-CYBMUJFWSA-N 2 1 252.402 2.020 20 0 CEADMP Fc1ccc(O[C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000872146479 649296832 /nfs/dbraw/zinc/29/68/32/649296832.db2.gz OYEFJBBEPDTWHV-BBRMVZONSA-N 2 1 278.371 2.278 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000872153886 649297690 /nfs/dbraw/zinc/29/76/90/649297690.db2.gz JAZBADYIVHBXEW-HNNXBMFYSA-N 2 1 282.428 2.041 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000872153396 649297775 /nfs/dbraw/zinc/29/77/75/649297775.db2.gz AIJIBTUFLQWVJQ-GJZGRUSLSA-N 2 1 282.428 2.041 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+])C(C)C ZINC000872154940 649298090 /nfs/dbraw/zinc/29/80/90/649298090.db2.gz FYLXHPMHOYMFAT-OAHLLOKOSA-N 2 1 285.476 2.471 20 0 CEADMP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)CCCCCC[NH3+] ZINC000872154863 649298740 /nfs/dbraw/zinc/29/87/40/649298740.db2.gz CNZIPAWQZRMIER-OWCLPIDISA-N 2 1 297.487 2.330 20 0 CEADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000872156026 649299421 /nfs/dbraw/zinc/29/94/21/649299421.db2.gz CTZKGQCCNJKNEZ-BFYDXBDKSA-N 3 1 279.472 2.216 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1cccc2c1CC[NH2+]C2 ZINC000872158839 649300586 /nfs/dbraw/zinc/30/05/86/649300586.db2.gz YEXCVMGVOFORBC-UHFFFAOYSA-N 3 1 275.440 2.283 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000872262174 649332188 /nfs/dbraw/zinc/33/21/88/649332188.db2.gz RYTCQTFASQFECJ-ZNMIVQPWSA-N 2 1 268.445 2.200 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3CSC[C@H]3C2)CC[NH2+]1 ZINC000873221407 649596217 /nfs/dbraw/zinc/59/62/17/649596217.db2.gz JLZSNSUCMWNXNE-AAVRWANBSA-N 2 1 254.443 2.059 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cncs2)C1 ZINC000873223164 649596711 /nfs/dbraw/zinc/59/67/11/649596711.db2.gz IKDFSHBVRQSWTK-CYBMUJFWSA-N 2 1 253.415 2.340 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cncs2)C1 ZINC000873223164 649596716 /nfs/dbraw/zinc/59/67/16/649596716.db2.gz IKDFSHBVRQSWTK-CYBMUJFWSA-N 2 1 253.415 2.340 20 0 CEADMP COCC(C)(C)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000873223086 649597241 /nfs/dbraw/zinc/59/72/41/649597241.db2.gz HQIVXVKSCSVFNF-OAHLLOKOSA-N 2 1 256.434 2.356 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c2NCC3)C[C@@H]1C(F)(F)F ZINC000873227589 649599093 /nfs/dbraw/zinc/59/90/93/649599093.db2.gz JIOCAAHPQWRJPQ-OLZOCXBDSA-N 2 1 299.340 2.224 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)C[C@@H]1C(F)(F)F ZINC000873227589 649599097 /nfs/dbraw/zinc/59/90/97/649599097.db2.gz JIOCAAHPQWRJPQ-OLZOCXBDSA-N 2 1 299.340 2.224 20 0 CEADMP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000873229195 649600332 /nfs/dbraw/zinc/60/03/32/649600332.db2.gz OUUFQLCKWXNSCQ-IJLUTSLNSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000873229195 649600334 /nfs/dbraw/zinc/60/03/34/649600334.db2.gz OUUFQLCKWXNSCQ-IJLUTSLNSA-N 2 1 280.334 2.028 20 0 CEADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230275 649601808 /nfs/dbraw/zinc/60/18/08/649601808.db2.gz OMZMDEQGAYITSM-XYPHTWIQSA-N 2 1 272.392 2.427 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1cn2cccc(F)c2n1 ZINC000873231279 649602403 /nfs/dbraw/zinc/60/24/03/649602403.db2.gz CDIMUKRHIFZKTE-UHFFFAOYSA-N 2 1 278.375 2.424 20 0 CEADMP c1cc(CCC[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc2c1OCC2 ZINC000873231086 649602853 /nfs/dbraw/zinc/60/28/53/649602853.db2.gz GZVCBAUYEFPSOX-QZTJIDSGSA-N 2 1 286.419 2.428 20 0 CEADMP COC1CCC([NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000873237861 649604635 /nfs/dbraw/zinc/60/46/35/649604635.db2.gz URILGPFELOKXKN-ROKHWSDSSA-N 2 1 254.418 2.312 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)[C@@H]1CCOC1 ZINC000873237151 649604822 /nfs/dbraw/zinc/60/48/22/649604822.db2.gz MTEAHZFGKYKQDY-MCIONIFRSA-N 2 1 254.418 2.169 20 0 CEADMP C[C@H](C1CCCCC1)[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878566833 651132339 /nfs/dbraw/zinc/13/23/39/651132339.db2.gz QKYWDAMWVFBXCC-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)c3ccc(F)cc3)C2)CC1 ZINC000878864574 651200320 /nfs/dbraw/zinc/20/03/20/651200320.db2.gz HDICCXIFMIGNQV-INIZCTEOSA-N 2 1 292.398 2.277 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)c3ccccc3)C2)CC1 ZINC000878864654 651200381 /nfs/dbraw/zinc/20/03/81/651200381.db2.gz JRVUJGRDFGJKGU-MRXNPFEDSA-N 2 1 274.408 2.138 20 0 CEADMP CC(C)CCOCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570561 651323419 /nfs/dbraw/zinc/32/34/19/651323419.db2.gz HBXCYRPIWISYGI-LSDHHAIUSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)CCOCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570561 651323421 /nfs/dbraw/zinc/32/34/21/651323421.db2.gz HBXCYRPIWISYGI-LSDHHAIUSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879570561 651323422 /nfs/dbraw/zinc/32/34/22/651323422.db2.gz HBXCYRPIWISYGI-LSDHHAIUSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879570561 651323424 /nfs/dbraw/zinc/32/34/24/651323424.db2.gz HBXCYRPIWISYGI-LSDHHAIUSA-N 2 1 254.418 2.075 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCCCCn3cccn3)CC[C@@H]21 ZINC000879572378 651324156 /nfs/dbraw/zinc/32/41/56/651324156.db2.gz GQNHVNGDGRTXHF-HOTGVXAUSA-N 2 1 276.428 2.079 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCCCCn3cccn3)CC[C@@H]21 ZINC000879572378 651324157 /nfs/dbraw/zinc/32/41/57/651324157.db2.gz GQNHVNGDGRTXHF-HOTGVXAUSA-N 2 1 276.428 2.079 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCCCCn3cccn3)CC[C@@H]21 ZINC000879572378 651324158 /nfs/dbraw/zinc/32/41/58/651324158.db2.gz GQNHVNGDGRTXHF-HOTGVXAUSA-N 2 1 276.428 2.079 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCCCn3cccn3)CC[C@@H]21 ZINC000879572378 651324159 /nfs/dbraw/zinc/32/41/59/651324159.db2.gz GQNHVNGDGRTXHF-HOTGVXAUSA-N 2 1 276.428 2.079 20 0 CEADMP Cc1cccc(OCC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000879572988 651324615 /nfs/dbraw/zinc/32/46/15/651324615.db2.gz SYGSXSUZMPUHFU-RDJZCZTQSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1cccc(OCC[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000879572988 651324616 /nfs/dbraw/zinc/32/46/16/651324616.db2.gz SYGSXSUZMPUHFU-RDJZCZTQSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879572988 651324617 /nfs/dbraw/zinc/32/46/17/651324617.db2.gz SYGSXSUZMPUHFU-RDJZCZTQSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879572988 651324618 /nfs/dbraw/zinc/32/46/18/651324618.db2.gz SYGSXSUZMPUHFU-RDJZCZTQSA-N 2 1 274.408 2.400 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCCC(C)(C)O3)CC[C@@H]21 ZINC000879580093 651326456 /nfs/dbraw/zinc/32/64/56/651326456.db2.gz RJHIDWZBRJVJFI-KFWWJZLASA-N 2 1 266.429 2.360 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCC(C)(C)O3)CC[C@@H]21 ZINC000879580093 651326454 /nfs/dbraw/zinc/32/64/54/651326454.db2.gz RJHIDWZBRJVJFI-KFWWJZLASA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCCC(C)(C)O3)CC[C@@H]21 ZINC000879580093 651326455 /nfs/dbraw/zinc/32/64/55/651326455.db2.gz RJHIDWZBRJVJFI-KFWWJZLASA-N 2 1 266.429 2.360 20 0 CEADMP CC1([NH+]2CCCCC2)CC[NH+](CCC2OCCO2)CC1 ZINC000879951394 651364556 /nfs/dbraw/zinc/36/45/56/651364556.db2.gz MUKHZOWAHGYYFV-UHFFFAOYSA-N 2 1 282.428 2.090 20 0 CEADMP COCC1([N@H+](C)CCCn2cc[nH+]c2C)CCC1 ZINC000880185744 651397441 /nfs/dbraw/zinc/39/74/41/651397441.db2.gz AZDWAGVFELOQHM-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP COCC1([N@@H+](C)CCCn2cc[nH+]c2C)CCC1 ZINC000880185744 651397442 /nfs/dbraw/zinc/39/74/42/651397442.db2.gz AZDWAGVFELOQHM-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880222782 651403007 /nfs/dbraw/zinc/40/30/07/651403007.db2.gz HPYFVQZZHYDFHJ-ZACQAIPSSA-N 2 1 274.408 2.111 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880222782 651403008 /nfs/dbraw/zinc/40/30/08/651403008.db2.gz HPYFVQZZHYDFHJ-ZACQAIPSSA-N 2 1 274.408 2.111 20 0 CEADMP C1CO[C@@]2(C1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883366046 652445976 /nfs/dbraw/zinc/44/59/76/652445976.db2.gz LTUHTHDGWGQADA-LVQVYYBASA-N 2 1 264.413 2.305 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883417393 652461826 /nfs/dbraw/zinc/46/18/26/652461826.db2.gz YUNAKUYXEUZGAS-CWRNSKLLSA-N 2 1 260.381 2.187 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883416784 652462173 /nfs/dbraw/zinc/46/21/73/652462173.db2.gz DWIKWGVCTQGOQV-USXIJHARSA-N 2 1 274.408 2.448 20 0 CEADMP C[NH2+]CCC[N@H+](C)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883433088 652468208 /nfs/dbraw/zinc/46/82/08/652468208.db2.gz IDVZFAQXYUAMAZ-CVEARBPZSA-N 2 1 262.397 2.448 20 0 CEADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883433088 652468209 /nfs/dbraw/zinc/46/82/09/652468209.db2.gz IDVZFAQXYUAMAZ-CVEARBPZSA-N 2 1 262.397 2.448 20 0 CEADMP C[NH2+]CCC[N@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883433089 652468301 /nfs/dbraw/zinc/46/83/01/652468301.db2.gz IDVZFAQXYUAMAZ-HOTGVXAUSA-N 2 1 262.397 2.448 20 0 CEADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883433089 652468302 /nfs/dbraw/zinc/46/83/02/652468302.db2.gz IDVZFAQXYUAMAZ-HOTGVXAUSA-N 2 1 262.397 2.448 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000884204282 652751616 /nfs/dbraw/zinc/75/16/16/652751616.db2.gz RSQYHEKJFFPXJQ-GJZGRUSLSA-N 2 1 297.487 2.233 20 0 CEADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000884227858 652759045 /nfs/dbraw/zinc/75/90/45/652759045.db2.gz ZOJCGGVXKMLYET-HUUCEWRRSA-N 2 1 297.487 2.329 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000884393764 652831812 /nfs/dbraw/zinc/83/18/12/652831812.db2.gz KWUKPANNHHVKPR-ZNMIVQPWSA-N 2 1 295.471 2.129 20 0 CEADMP Cc1c[nH+]c(N2CCC(C[NH+](C)C)CC2)nc1NC(C)C ZINC001165042628 721942138 /nfs/dbraw/zinc/94/21/38/721942138.db2.gz OPAGPUNJSWFRIG-UHFFFAOYSA-N 2 1 291.443 2.383 20 0 CEADMP C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H](C)[N@@H+]1C ZINC001167995197 805596685 /nfs/dbraw/zinc/59/66/85/805596685.db2.gz YRZKFJDUWDQLLH-SSAZZLEASA-N 2 1 291.483 2.416 20 0 CEADMP C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H](C)[NH+]1C ZINC001167995197 805596692 /nfs/dbraw/zinc/59/66/92/805596692.db2.gz YRZKFJDUWDQLLH-SSAZZLEASA-N 2 1 291.483 2.416 20 0 CEADMP C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H](C)[NH+]1C ZINC001167995197 805596700 /nfs/dbraw/zinc/59/67/00/805596700.db2.gz YRZKFJDUWDQLLH-SSAZZLEASA-N 2 1 291.483 2.416 20 0 CEADMP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N1CC([NH+]3CCCC3)C1)C2 ZINC001167996057 805604103 /nfs/dbraw/zinc/60/41/03/805604103.db2.gz VXEUBGFOBVQOBS-SJPCQFCGSA-N 2 1 289.467 2.172 20 0 CEADMP COC[C@@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000696592792 805673175 /nfs/dbraw/zinc/67/31/75/805673175.db2.gz YZHIHUHXRDGCIN-DKUMPPAJSA-N 2 1 252.402 2.018 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001087750095 805787010 /nfs/dbraw/zinc/78/70/10/805787010.db2.gz RKNPBEKPLHKYIW-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000715064557 814925914 /nfs/dbraw/zinc/92/59/14/814925914.db2.gz WDHDLHBIPBOVHA-XHSDSOJGSA-N 2 1 266.429 2.002 20 0 CEADMP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001271169161 805872990 /nfs/dbraw/zinc/87/29/90/805872990.db2.gz CFJVOXPJYRSRNX-SHUKXNKTSA-N 2 1 295.471 2.121 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001088382383 806174853 /nfs/dbraw/zinc/17/48/53/806174853.db2.gz ZUZCGGIGYMSABK-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](CCC)CC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001271983639 806175023 /nfs/dbraw/zinc/17/50/23/806175023.db2.gz WKCWPIBDFVYJFU-QGZVFWFLSA-N 2 1 295.471 2.053 20 0 CEADMP CC(C)=CC[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001272136986 806560621 /nfs/dbraw/zinc/56/06/21/806560621.db2.gz AGUFAHYOGSJFBE-UHFFFAOYSA-N 2 1 295.471 2.075 20 0 CEADMP Cc1nc([C@H]2CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)no1 ZINC001168315010 806648856 /nfs/dbraw/zinc/64/88/56/806648856.db2.gz OIZZDBAMRCVILP-NFOMZHRRSA-N 2 1 292.427 2.430 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCO[C@H](c3ccccn3)C2)CC1 ZINC001168327625 806657290 /nfs/dbraw/zinc/65/72/90/806657290.db2.gz PSYDQBSBGZWKCW-DQPZFDDXSA-N 2 1 289.423 2.328 20 0 CEADMP CC[N@@H+](C)C1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168328652 806658381 /nfs/dbraw/zinc/65/83/81/806658381.db2.gz AVEFGSAJGLRYDX-UHFFFAOYSA-N 3 1 267.461 2.275 20 0 CEADMP CC[N@H+](C)C1CCN(C2CCC([NH+](C)C)CC2)CC1 ZINC001168328652 806658389 /nfs/dbraw/zinc/65/83/89/806658389.db2.gz AVEFGSAJGLRYDX-UHFFFAOYSA-N 2 1 267.461 2.275 20 0 CEADMP CC[N@@H+](C)C1CCN(C2CCC([NH+](C)C)CC2)CC1 ZINC001168328652 806658397 /nfs/dbraw/zinc/65/83/97/806658397.db2.gz AVEFGSAJGLRYDX-UHFFFAOYSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)[NH+]1CCC(OC[C@H]2CCCC[N@H+]2C)CC1 ZINC001224703601 806904825 /nfs/dbraw/zinc/90/48/25/806904825.db2.gz UNUNPHWWDHAOMG-CQSZACIVSA-N 2 1 254.418 2.360 20 0 CEADMP CO[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1C ZINC000300008922 802341439 /nfs/dbraw/zinc/34/14/39/802341439.db2.gz NRUHLTLUFCHTEL-IXIBIKRGSA-N 2 1 266.429 2.264 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC000692958236 802385306 /nfs/dbraw/zinc/38/53/06/802385306.db2.gz GGESETDRGYCLBO-XJKSGUPXSA-N 2 1 280.387 2.181 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3[C@H](CCC3(F)F)C2)C1 ZINC001208608963 802388636 /nfs/dbraw/zinc/38/86/36/802388636.db2.gz XQPPWMKLSZHUKJ-UPJWGTAASA-N 2 1 258.356 2.305 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)C1 ZINC001208608963 802388645 /nfs/dbraw/zinc/38/86/45/802388645.db2.gz XQPPWMKLSZHUKJ-UPJWGTAASA-N 2 1 258.356 2.305 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)C1 ZINC001208608963 802388649 /nfs/dbraw/zinc/38/86/49/802388649.db2.gz XQPPWMKLSZHUKJ-UPJWGTAASA-N 2 1 258.356 2.305 20 0 CEADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCC2CC2)CC1 ZINC001208684930 802400905 /nfs/dbraw/zinc/40/09/05/802400905.db2.gz NAFUNZLBHONBDT-INIZCTEOSA-N 2 1 266.429 2.362 20 0 CEADMP Cc1[nH+]cc(CN(C)CC[N@H+](C)Cc2ccccc2)n1C ZINC001206795948 802408772 /nfs/dbraw/zinc/40/87/72/802408772.db2.gz OICLQLJUSWIWPH-UHFFFAOYSA-N 2 1 286.423 2.292 20 0 CEADMP Cc1[nH+]cc(CN(C)CC[N@@H+](C)Cc2ccccc2)n1C ZINC001206795948 802408776 /nfs/dbraw/zinc/40/87/76/802408776.db2.gz OICLQLJUSWIWPH-UHFFFAOYSA-N 2 1 286.423 2.292 20 0 CEADMP C[NH+](C)CCC[N@H+](C)CCc1cc(F)cc(F)c1 ZINC001209129197 802473600 /nfs/dbraw/zinc/47/36/00/802473600.db2.gz WTMUGSHDEGAJTA-UHFFFAOYSA-N 2 1 256.340 2.391 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)CCc1cc(F)cc(F)c1 ZINC001209129197 802473603 /nfs/dbraw/zinc/47/36/03/802473603.db2.gz WTMUGSHDEGAJTA-UHFFFAOYSA-N 2 1 256.340 2.391 20 0 CEADMP COCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209214120 802485725 /nfs/dbraw/zinc/48/57/25/802485725.db2.gz LTPIPCGOFKJHJW-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP COCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209214120 802485728 /nfs/dbraw/zinc/48/57/28/802485728.db2.gz LTPIPCGOFKJHJW-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP COCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209214120 802485733 /nfs/dbraw/zinc/48/57/33/802485733.db2.gz LTPIPCGOFKJHJW-MSOLQXFVSA-N 2 1 288.435 2.477 20 0 CEADMP COC1CCC(C[N@H+]2C[C@H]3CCCN(C)[C@H]3C2)CC1 ZINC001209400231 802509307 /nfs/dbraw/zinc/50/93/07/802509307.db2.gz KRZBKUBYNLTBOT-KNIAUWFNSA-N 2 1 266.429 2.218 20 0 CEADMP CCCCC[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001266468457 802616717 /nfs/dbraw/zinc/61/67/17/802616717.db2.gz QMNYTPQHDRJGKQ-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCO4)C[C@@H]2C1 ZINC001204494700 802650939 /nfs/dbraw/zinc/65/09/39/802650939.db2.gz PXOXRHHLRIIUFA-IYBDPMFKSA-N 2 1 272.392 2.005 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCO4)C[C@@H]2C1 ZINC001204494700 802650943 /nfs/dbraw/zinc/65/09/43/802650943.db2.gz PXOXRHHLRIIUFA-IYBDPMFKSA-N 2 1 272.392 2.005 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)C[C@@H]2C1 ZINC001204494700 802650947 /nfs/dbraw/zinc/65/09/47/802650947.db2.gz PXOXRHHLRIIUFA-IYBDPMFKSA-N 2 1 272.392 2.005 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCO4)C[C@@H]2C1 ZINC001204494700 802650949 /nfs/dbraw/zinc/65/09/49/802650949.db2.gz PXOXRHHLRIIUFA-IYBDPMFKSA-N 2 1 272.392 2.005 20 0 CEADMP c1csc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210261582 802662262 /nfs/dbraw/zinc/66/22/62/802662262.db2.gz BXRWRQANPLZUEF-UHFFFAOYSA-N 2 1 260.366 2.296 20 0 CEADMP CO[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000386153900 802768964 /nfs/dbraw/zinc/76/89/64/802768964.db2.gz PISSZCXPUYOQPC-RRFJBIMHSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000721446684 802781877 /nfs/dbraw/zinc/78/18/77/802781877.db2.gz GESXQDUOMHMCHN-RSMQCKGYSA-N 2 1 292.345 2.311 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[C@@H](C(F)(F)F)O3)C[C@H]21 ZINC000721447509 802792315 /nfs/dbraw/zinc/79/23/15/802792315.db2.gz IHCDESZBDDGMTR-MLGHIDQZSA-N 2 1 292.345 2.156 20 0 CEADMP CC(C)C[C@H](C)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066635 807002396 /nfs/dbraw/zinc/00/23/96/807002396.db2.gz QYMBASAVAPULDX-HOTGVXAUSA-N 2 1 297.487 2.247 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066636 807002565 /nfs/dbraw/zinc/00/25/65/807002565.db2.gz QYMBASAVAPULDX-HZPDHXFCSA-N 2 1 297.487 2.247 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000723695876 802926240 /nfs/dbraw/zinc/92/62/40/802926240.db2.gz PVEURWDJOMVVPD-GFCCVEGCSA-N 2 1 288.420 2.376 20 0 CEADMP C[C@@H]1CC[C@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C[NH2+]1 ZINC000399010981 802933891 /nfs/dbraw/zinc/93/38/91/802933891.db2.gz XSQLVUCQGIYQAH-NJAFHUGGSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1CC[NH3+] ZINC000723892700 802966146 /nfs/dbraw/zinc/96/61/46/802966146.db2.gz UXAAHHDAEFMKCF-RKDXNWHRSA-N 2 1 259.806 2.213 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1CC[NH3+] ZINC000723892700 802966150 /nfs/dbraw/zinc/96/61/50/802966150.db2.gz UXAAHHDAEFMKCF-RKDXNWHRSA-N 2 1 259.806 2.213 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)s1 ZINC000723901502 802966588 /nfs/dbraw/zinc/96/65/88/802966588.db2.gz PYNXSADSFKNUKY-BXKDBHETSA-N 2 1 253.415 2.177 20 0 CEADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132278954 812819655 /nfs/dbraw/zinc/81/96/55/812819655.db2.gz SYQKPNSLEUXYNO-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1CCC(C)(C)C ZINC001132278501 812820697 /nfs/dbraw/zinc/82/06/97/812820697.db2.gz POXNATFGSNDAKN-GJZGRUSLSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309953 812828018 /nfs/dbraw/zinc/82/80/18/812828018.db2.gz HBFMTMUKFHWEEE-GJZGRUSLSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309953 812828027 /nfs/dbraw/zinc/82/80/27/812828027.db2.gz HBFMTMUKFHWEEE-GJZGRUSLSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132309953 812828037 /nfs/dbraw/zinc/82/80/37/812828037.db2.gz HBFMTMUKFHWEEE-GJZGRUSLSA-N 2 1 297.487 2.343 20 0 CEADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC1CCCCCC1 ZINC001133819526 813159557 /nfs/dbraw/zinc/15/95/57/813159557.db2.gz FMSMSTHWDHAUIX-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH+]1CCC(c2ncccn2)CC1 ZINC001207285797 803133145 /nfs/dbraw/zinc/13/31/45/803133145.db2.gz OJZJHHZWVCOJNH-UHFFFAOYSA-N 2 1 276.428 2.244 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cccc(F)c4C3)C[C@@H]2C1 ZINC001171003925 813737986 /nfs/dbraw/zinc/73/79/86/813737986.db2.gz YWANCCBNKMIORB-QLFBSQMISA-N 2 1 274.383 2.176 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4cccc(F)c4C3)C[C@@H]2C1 ZINC001171003925 813737990 /nfs/dbraw/zinc/73/79/90/813737990.db2.gz YWANCCBNKMIORB-QLFBSQMISA-N 2 1 274.383 2.176 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4cccc(F)c4C3)C[C@@H]2C1 ZINC001171003925 813737995 /nfs/dbraw/zinc/73/79/95/813737995.db2.gz YWANCCBNKMIORB-QLFBSQMISA-N 2 1 274.383 2.176 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397428098 803290824 /nfs/dbraw/zinc/29/08/24/803290824.db2.gz XLZVDVXKXPYZMQ-JONQDZQNSA-N 2 1 297.487 2.377 20 0 CEADMP CCCCC[C@H](C)NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397428098 803290834 /nfs/dbraw/zinc/29/08/34/803290834.db2.gz XLZVDVXKXPYZMQ-JONQDZQNSA-N 2 1 297.487 2.377 20 0 CEADMP CC[N@H+](CC=C(C)C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001267252868 803296505 /nfs/dbraw/zinc/29/65/05/803296505.db2.gz BTBCOYRWLPHUMS-UHFFFAOYSA-N 2 1 295.471 2.123 20 0 CEADMP CCCc1noc([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC001207439306 803611946 /nfs/dbraw/zinc/61/19/46/803611946.db2.gz NCHGCKHLSBTVCJ-AWEZNQCLSA-N 2 1 292.427 2.201 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC000724923602 803671461 /nfs/dbraw/zinc/67/14/61/803671461.db2.gz FUNZBQJNPMCXQW-KBPBESRZSA-N 2 1 297.443 2.070 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000396696419 803750881 /nfs/dbraw/zinc/75/08/81/803750881.db2.gz JPGZBAPSVGCRNG-UKRRQHHQSA-N 2 1 254.418 2.456 20 0 CEADMP C[N@@H+](C[C@H]1CC[C@H](C2CC2)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000715539199 814973515 /nfs/dbraw/zinc/97/35/15/814973515.db2.gz YJBRWPFAFRQEOP-GZNJTBKBSA-N 2 1 264.413 2.159 20 0 CEADMP CC(C)[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001027103873 803956860 /nfs/dbraw/zinc/95/68/60/803956860.db2.gz HNRWVFDKDXDKGF-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]2C1 ZINC000931440247 803968899 /nfs/dbraw/zinc/96/88/99/803968899.db2.gz SFNMBNRVUGCZKI-PBHICJAKSA-N 2 1 272.392 2.100 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@@H]2C1 ZINC000931440247 803968901 /nfs/dbraw/zinc/96/89/01/803968901.db2.gz SFNMBNRVUGCZKI-PBHICJAKSA-N 2 1 272.392 2.100 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@@H]2C1 ZINC000931440247 803968907 /nfs/dbraw/zinc/96/89/07/803968907.db2.gz SFNMBNRVUGCZKI-PBHICJAKSA-N 2 1 272.392 2.100 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027447989 804077480 /nfs/dbraw/zinc/07/74/80/804077480.db2.gz DFXXTOWWIPTXEV-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027447989 804077490 /nfs/dbraw/zinc/07/74/90/804077490.db2.gz DFXXTOWWIPTXEV-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027447989 804077497 /nfs/dbraw/zinc/07/74/97/804077497.db2.gz DFXXTOWWIPTXEV-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP Oc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001118180790 814991116 /nfs/dbraw/zinc/99/11/16/814991116.db2.gz NUNRGFJLDMBEAP-UHFFFAOYSA-N 2 1 260.381 2.358 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000125554330 804109837 /nfs/dbraw/zinc/10/98/37/804109837.db2.gz WZCJJGLMPUHLQG-CYBMUJFWSA-N 2 1 255.365 2.406 20 0 CEADMP CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001027545806 804116629 /nfs/dbraw/zinc/11/66/29/804116629.db2.gz GKOCWBRHOFBASI-JYJNAYRXSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001027545806 804116634 /nfs/dbraw/zinc/11/66/34/804116634.db2.gz GKOCWBRHOFBASI-JYJNAYRXSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001027545806 804116640 /nfs/dbraw/zinc/11/66/40/804116640.db2.gz GKOCWBRHOFBASI-JYJNAYRXSA-N 2 1 295.471 2.048 20 0 CEADMP CCC(=O)Nc1cc(NCc2ccc(N)[nH+]c2C)cc[nH+]1 ZINC001167788249 804207252 /nfs/dbraw/zinc/20/72/52/804207252.db2.gz UPAWLUOHDVZZJE-UHFFFAOYSA-N 2 1 285.351 2.328 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC=C(C)C)CCCC1 ZINC001268057709 804357652 /nfs/dbraw/zinc/35/76/52/804357652.db2.gz WQADMFVSQRDGTN-UHFFFAOYSA-N 2 1 295.471 2.313 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](C(C)=O)C1 ZINC001167840646 804441868 /nfs/dbraw/zinc/44/18/68/804441868.db2.gz GVXPPGIWIOSTRH-HIFRSBDPSA-N 2 1 254.418 2.408 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1C(C)C ZINC001038908371 804515471 /nfs/dbraw/zinc/51/54/71/804515471.db2.gz JBYJLJFJGMXBNO-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1C(C)C ZINC001038908371 804515476 /nfs/dbraw/zinc/51/54/76/804515476.db2.gz JBYJLJFJGMXBNO-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1C(C)C ZINC001038908371 804515480 /nfs/dbraw/zinc/51/54/80/804515480.db2.gz JBYJLJFJGMXBNO-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001268215520 804548184 /nfs/dbraw/zinc/54/81/84/804548184.db2.gz LVKCEBLSGLLHJI-KJPDOMRESA-N 2 1 295.471 2.265 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H](O)CC1CCCC1 ZINC000300072106 804619180 /nfs/dbraw/zinc/61/91/80/804619180.db2.gz JBFOKGGRKOGNAC-CABCVRRESA-N 2 1 256.434 2.233 20 0 CEADMP CC[NH2+]CC[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001268385905 804646488 /nfs/dbraw/zinc/64/64/88/804646488.db2.gz FCSSVPFZIMUIDM-CQSZACIVSA-N 2 1 283.460 2.145 20 0 CEADMP CC(C)[S@@](=O)c1ccc(NC(=[NH2+])SCC[NH3+])cc1 ZINC001167915616 804717134 /nfs/dbraw/zinc/71/71/34/804717134.db2.gz VSJFDZXUHQFJDI-GOSISDBHSA-N 2 1 285.438 2.241 20 0 CEADMP CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC1=CCCCC1)[NH+](C)C ZINC001268754012 804959268 /nfs/dbraw/zinc/95/92/68/804959268.db2.gz YUWUHBJCFBJJAD-ZBFHGGJFSA-N 2 1 295.471 2.264 20 0 CEADMP CCCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001268799722 804975978 /nfs/dbraw/zinc/97/59/78/804975978.db2.gz FYEUGRIEZWVQQA-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268945893 805009807 /nfs/dbraw/zinc/00/98/07/805009807.db2.gz ICFJXMDDRCYDSM-CVEARBPZSA-N 2 1 297.487 2.058 20 0 CEADMP COC(=O)[C@@]1(C)CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387672 807042898 /nfs/dbraw/zinc/04/28/98/807042898.db2.gz PDVUNGGRCQHMSJ-KRWDZBQOSA-N 2 1 294.439 2.136 20 0 CEADMP CCC/C=C/CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001269269182 805105752 /nfs/dbraw/zinc/10/57/52/805105752.db2.gz VGQVXLWNKOOMCL-KXPUMZMLSA-N 2 1 295.471 2.217 20 0 CEADMP COc1ccc(CC[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000165317928 807053682 /nfs/dbraw/zinc/05/36/82/807053682.db2.gz PMSCBVZFXAATKB-UKRRQHHQSA-N 2 1 262.397 2.154 20 0 CEADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[NH2+]CC=C(C)C ZINC001269401694 805153802 /nfs/dbraw/zinc/15/38/02/805153802.db2.gz DXBAFOZSTCHTBQ-CVEARBPZSA-N 2 1 295.471 2.310 20 0 CEADMP CCC/C=C\CC[NH+]1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001269805589 805257639 /nfs/dbraw/zinc/25/76/39/805257639.db2.gz HICPRFOXQLLDEU-ZBTGYSDGSA-N 2 1 295.471 2.216 20 0 CEADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001038409047 805279649 /nfs/dbraw/zinc/27/96/49/805279649.db2.gz MFTUSPKCAFZTTG-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001038409047 805279655 /nfs/dbraw/zinc/27/96/55/805279655.db2.gz MFTUSPKCAFZTTG-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001038409047 805279660 /nfs/dbraw/zinc/27/96/60/805279660.db2.gz MFTUSPKCAFZTTG-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001038409047 805279664 /nfs/dbraw/zinc/27/96/64/805279664.db2.gz MFTUSPKCAFZTTG-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC1 ZINC001161643798 805424321 /nfs/dbraw/zinc/42/43/21/805424321.db2.gz BOLACRBTLNBWNA-MRXNPFEDSA-N 2 1 295.471 2.003 20 0 CEADMP O[C@@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167985076 805540263 /nfs/dbraw/zinc/54/02/63/805540263.db2.gz ULDXVYYGJFBUHU-FCLJQHQZSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167985076 805540268 /nfs/dbraw/zinc/54/02/68/805540268.db2.gz ULDXVYYGJFBUHU-FCLJQHQZSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167985076 805540273 /nfs/dbraw/zinc/54/02/73/805540273.db2.gz ULDXVYYGJFBUHU-FCLJQHQZSA-N 2 1 278.440 2.239 20 0 CEADMP C(C1CC1)[NH+]1CCC(N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001168392691 807066140 /nfs/dbraw/zinc/06/61/40/807066140.db2.gz SALDGVNDLGAHDI-QGZVFWFLSA-N 2 1 277.456 2.031 20 0 CEADMP CCC[NH+]1C[C@H]2C[NH+](C3CC[NH+](CC4CC4)CC3)C[C@@H]2C1 ZINC001168394743 807072534 /nfs/dbraw/zinc/07/25/34/807072534.db2.gz FOJMKEIQJCUPCQ-IRXDYDNUSA-N 3 1 291.483 2.134 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227748402 807179996 /nfs/dbraw/zinc/17/99/96/807179996.db2.gz HWXXEWBNFPHRLG-GJZGRUSLSA-N 2 1 292.423 2.381 20 0 CEADMP C[C@H]1COCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232143568 807222736 /nfs/dbraw/zinc/22/27/36/807222736.db2.gz AXPGSTDNOCLOCP-CYBMUJFWSA-N 2 1 280.387 2.356 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCC3(CCC3)CO1)C2 ZINC000716268706 815108744 /nfs/dbraw/zinc/10/87/44/815108744.db2.gz YPBURAZMZRWVQG-XGUBFFRZSA-N 2 1 264.413 2.147 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(CCC2)CO1)CC(C)(C)C[NH3+] ZINC000716304512 815112650 /nfs/dbraw/zinc/11/26/50/815112650.db2.gz ZXLJERGSCFWYOX-CYBMUJFWSA-N 2 1 254.418 2.252 20 0 CEADMP CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC1)[NH+](C)C ZINC001089192552 807414620 /nfs/dbraw/zinc/41/46/20/807414620.db2.gz ZJVLKUFTZDNORM-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCOC(=O)[C@H]1CC[C@H](C[N@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001205094860 807582415 /nfs/dbraw/zinc/58/24/15/807582415.db2.gz RHFOWSSCUZIFPJ-KKUMJFAQSA-N 2 1 282.428 2.169 20 0 CEADMP [NH3+][C@@H]1CCCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001205095452 807592472 /nfs/dbraw/zinc/59/24/72/807592472.db2.gz XRLFRXFCHWPUTN-ZWKOTPCHSA-N 2 1 287.451 2.322 20 0 CEADMP CO[C@H]([C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000388294456 807635873 /nfs/dbraw/zinc/63/58/73/807635873.db2.gz YYVLGEIMIJZFLR-ASJAARPFSA-N 2 1 252.402 2.015 20 0 CEADMP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099215771 807711253 /nfs/dbraw/zinc/71/12/53/807711253.db2.gz ZONXMJQODIRFNQ-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP C[N@H+](CCOCC[NH3+])Cc1cc2ccccc2nc1Cl ZINC000699540454 807742038 /nfs/dbraw/zinc/74/20/38/807742038.db2.gz BCSXNTGHMAHJFN-UHFFFAOYSA-N 2 1 293.798 2.295 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1cc2ccccc2nc1Cl ZINC000699540454 807742041 /nfs/dbraw/zinc/74/20/41/807742041.db2.gz BCSXNTGHMAHJFN-UHFFFAOYSA-N 2 1 293.798 2.295 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)C1 ZINC001235232459 807800921 /nfs/dbraw/zinc/80/09/21/807800921.db2.gz IZHCYRIGUZBIRY-WBVHZDCISA-N 3 1 279.472 2.182 20 0 CEADMP CN1CCC[C@@H](C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)C1 ZINC001235232459 807800930 /nfs/dbraw/zinc/80/09/30/807800930.db2.gz IZHCYRIGUZBIRY-WBVHZDCISA-N 2 1 279.472 2.182 20 0 CEADMP CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106840052 807887300 /nfs/dbraw/zinc/88/73/00/807887300.db2.gz WCYBKSOEHKQUQF-ARFHVFGLSA-N 2 1 297.487 2.058 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1)OCc1ccccc1 ZINC001235981015 807904467 /nfs/dbraw/zinc/90/44/67/807904467.db2.gz TXSYTLXNSAEZTN-NUEKZKHPSA-N 2 1 260.381 2.015 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1)OCc1ccccc1 ZINC001235981015 807904472 /nfs/dbraw/zinc/90/44/72/807904472.db2.gz TXSYTLXNSAEZTN-NUEKZKHPSA-N 2 1 260.381 2.015 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000237718209 808092457 /nfs/dbraw/zinc/09/24/57/808092457.db2.gz LGKIHRQXPNLRIY-RRFJBIMHSA-N 2 1 295.471 2.131 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCc3ccc(F)cc3)CC[C@H]21 ZINC001119975343 815180803 /nfs/dbraw/zinc/18/08/03/815180803.db2.gz UKGQMWUMUIGSSG-GOEBONIOSA-N 2 1 262.372 2.394 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCc3ccc(F)cc3)CC[C@H]21 ZINC001119975343 815180808 /nfs/dbraw/zinc/18/08/08/815180808.db2.gz UKGQMWUMUIGSSG-GOEBONIOSA-N 2 1 262.372 2.394 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCc3ccc(F)cc3)CC[C@H]21 ZINC001119975343 815180813 /nfs/dbraw/zinc/18/08/13/815180813.db2.gz UKGQMWUMUIGSSG-GOEBONIOSA-N 2 1 262.372 2.394 20 0 CEADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[C@@H]([NH3+])[C@H]1C ZINC001205183236 808333842 /nfs/dbraw/zinc/33/38/42/808333842.db2.gz ZPAHFESHCYOKCO-IUODEOHRSA-N 2 1 270.380 2.102 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](O)[C@@H](F)CC2)CC1(C)C ZINC001171632191 815201741 /nfs/dbraw/zinc/20/17/41/815201741.db2.gz WKLUFNHWFOLILM-UONOGXRCSA-N 2 1 286.435 2.433 20 0 CEADMP CCC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001120208064 815204388 /nfs/dbraw/zinc/20/43/88/815204388.db2.gz STEFXOZYKXIDHJ-UHFFFAOYSA-N 2 1 283.460 2.145 20 0 CEADMP CCN(CC)C(=O)[C@@H](C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619071 815205005 /nfs/dbraw/zinc/20/50/05/815205005.db2.gz GUEXBVGRPCIJGZ-CYBMUJFWSA-N 2 1 297.487 2.484 20 0 CEADMP CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@](O)(C[NH3+])CC2)CC1 ZINC001205208447 808547295 /nfs/dbraw/zinc/54/72/95/808547295.db2.gz CNZQBGADAAYFRB-HRCADAONSA-N 2 1 266.429 2.155 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171776452 815231016 /nfs/dbraw/zinc/23/10/16/815231016.db2.gz WXTQPQUVRFGDDN-TZMCWYRMSA-N 2 1 262.372 2.224 20 0 CEADMP COc1ccc([C@@H]2C[C@@H]([N@@H+](C)C[C@H](C)C[NH3+])CCO2)cc1 ZINC001168614934 808726480 /nfs/dbraw/zinc/72/64/80/808726480.db2.gz MQAVRXXDYPJMCP-KMFMINBZSA-N 2 1 292.423 2.442 20 0 CEADMP CC1(C)C[C@H](n2cnc(C[NH3+])n2)CC[N@@H+]1Cc1ccccc1 ZINC001171967518 815253246 /nfs/dbraw/zinc/25/32/46/815253246.db2.gz APNQGQFLCVDBOG-OAHLLOKOSA-N 2 1 299.422 2.353 20 0 CEADMP CC1(C)C[C@H](n2cnc(C[NH3+])n2)CC[N@H+]1Cc1ccccc1 ZINC001171967518 815253249 /nfs/dbraw/zinc/25/32/49/815253249.db2.gz APNQGQFLCVDBOG-OAHLLOKOSA-N 2 1 299.422 2.353 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000453229046 809042847 /nfs/dbraw/zinc/04/28/47/809042847.db2.gz PETSQKNZARJYGH-KKUMJFAQSA-N 2 1 266.429 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000453229046 809042855 /nfs/dbraw/zinc/04/28/55/809042855.db2.gz PETSQKNZARJYGH-KKUMJFAQSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168706237 809051546 /nfs/dbraw/zinc/05/15/46/809051546.db2.gz ZXWKJORMMDHFST-CMPLNLGQSA-N 2 1 252.789 2.334 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)C2 ZINC001172101042 815279219 /nfs/dbraw/zinc/27/92/19/815279219.db2.gz VMRJWCHRPMSZNX-FJIDUMEYSA-N 2 1 288.435 2.499 20 0 CEADMP N[C@H]1CC[N@@H+](CCc2ccc(F)cc2)CC[C@H]1F ZINC001206155970 815280712 /nfs/dbraw/zinc/28/07/12/815280712.db2.gz NMPRVSOPBYZRKV-KGLIPLIRSA-N 2 1 254.324 2.129 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](CCc2ccc(F)cc2)CC[C@H]1F ZINC001206155970 815280720 /nfs/dbraw/zinc/28/07/20/815280720.db2.gz NMPRVSOPBYZRKV-KGLIPLIRSA-N 2 1 254.324 2.129 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC1CCOCC1)C2 ZINC001172098353 815282778 /nfs/dbraw/zinc/28/27/78/815282778.db2.gz CGDPDYIAOFNXRU-MUJYYYPQSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH+]1CCC(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172100947 815283777 /nfs/dbraw/zinc/28/37/77/815283777.db2.gz VATSCQQZBRANAV-BJWYYQGGSA-N 3 1 279.472 2.323 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)C2 ZINC001172100947 815283779 /nfs/dbraw/zinc/28/37/79/815283779.db2.gz VATSCQQZBRANAV-BJWYYQGGSA-N 2 1 279.472 2.323 20 0 CEADMP CC(C)[C@H]1COCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129376 815289479 /nfs/dbraw/zinc/28/94/79/815289479.db2.gz YVTXUTFCPPAPDA-QKPAOTATSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[C@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129376 815289481 /nfs/dbraw/zinc/28/94/81/815289481.db2.gz YVTXUTFCPPAPDA-QKPAOTATSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[C@H]1COCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129376 815289484 /nfs/dbraw/zinc/28/94/84/815289484.db2.gz YVTXUTFCPPAPDA-QKPAOTATSA-N 2 1 266.429 2.359 20 0 CEADMP CN1CCC[C@@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001172130414 815289665 /nfs/dbraw/zinc/28/96/65/815289665.db2.gz OYDZOCYLGDXLMS-UUAJXVIYSA-N 2 1 277.456 2.028 20 0 CEADMP CN1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@@H]21 ZINC001172130414 815289670 /nfs/dbraw/zinc/28/96/70/815289670.db2.gz OYDZOCYLGDXLMS-UUAJXVIYSA-N 2 1 277.456 2.028 20 0 CEADMP CN1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@@H]21 ZINC001172130414 815289674 /nfs/dbraw/zinc/28/96/74/815289674.db2.gz OYDZOCYLGDXLMS-UUAJXVIYSA-N 2 1 277.456 2.028 20 0 CEADMP CC[N@H+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC001172132891 815290434 /nfs/dbraw/zinc/29/04/34/815290434.db2.gz PUQCNVZGPXTUCW-WCVJEAGWSA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC001172132891 815290437 /nfs/dbraw/zinc/29/04/37/815290437.db2.gz PUQCNVZGPXTUCW-WCVJEAGWSA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC001172132891 815290439 /nfs/dbraw/zinc/29/04/39/815290439.db2.gz PUQCNVZGPXTUCW-WCVJEAGWSA-N 2 1 265.445 2.028 20 0 CEADMP CCO[C@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000701788030 809461452 /nfs/dbraw/zinc/46/14/52/809461452.db2.gz IVVQZHVLVKXDDQ-LBPRGKRZSA-N 2 1 266.410 2.005 20 0 CEADMP CC[N@H+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H](C)C1 ZINC001172132676 815290678 /nfs/dbraw/zinc/29/06/78/815290678.db2.gz MPKSCUKCJRHIIU-LVQVYYBASA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](C)C1 ZINC001172132676 815290681 /nfs/dbraw/zinc/29/06/81/815290681.db2.gz MPKSCUKCJRHIIU-LVQVYYBASA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](C)C1 ZINC001172132676 815290685 /nfs/dbraw/zinc/29/06/85/815290685.db2.gz MPKSCUKCJRHIIU-LVQVYYBASA-N 2 1 265.445 2.028 20 0 CEADMP COC(=O)[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172132803 815291020 /nfs/dbraw/zinc/29/10/20/815291020.db2.gz OLCOCVRCBRKRRE-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172132803 815291021 /nfs/dbraw/zinc/29/10/21/815291021.db2.gz OLCOCVRCBRKRRE-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172132803 815291022 /nfs/dbraw/zinc/29/10/22/815291022.db2.gz OLCOCVRCBRKRRE-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172132803 815291026 /nfs/dbraw/zinc/29/10/26/815291026.db2.gz OLCOCVRCBRKRRE-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000701856104 809471976 /nfs/dbraw/zinc/47/19/76/809471976.db2.gz NIHFFCCIZCLGDH-HZSPNIEDSA-N 2 1 299.459 2.314 20 0 CEADMP C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000701856104 809471977 /nfs/dbraw/zinc/47/19/77/809471977.db2.gz NIHFFCCIZCLGDH-HZSPNIEDSA-N 2 1 299.459 2.314 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncc(Cl)n1)C2 ZINC001172104356 815294962 /nfs/dbraw/zinc/29/49/62/815294962.db2.gz BYENVPXTNMJVCB-UOJUARBOSA-N 2 1 280.803 2.235 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncc(Cl)n1)C2 ZINC001172104356 815294967 /nfs/dbraw/zinc/29/49/67/815294967.db2.gz BYENVPXTNMJVCB-UOJUARBOSA-N 2 1 280.803 2.235 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1CO)C2 ZINC001172106250 815295813 /nfs/dbraw/zinc/29/58/13/815295813.db2.gz OCMCDLXMTQTZDI-OSYLJGHBSA-N 2 1 274.408 2.284 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1CO)C2 ZINC001172106250 815295817 /nfs/dbraw/zinc/29/58/17/815295817.db2.gz OCMCDLXMTQTZDI-OSYLJGHBSA-N 2 1 274.408 2.284 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172107724 815296131 /nfs/dbraw/zinc/29/61/31/815296131.db2.gz BBWWLPLSMKRXCQ-NXOAAHMSSA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)C[NH+]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172107724 815296136 /nfs/dbraw/zinc/29/61/36/815296136.db2.gz BBWWLPLSMKRXCQ-NXOAAHMSSA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)C[NH+]1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172107724 815296141 /nfs/dbraw/zinc/29/61/41/815296141.db2.gz BBWWLPLSMKRXCQ-NXOAAHMSSA-N 2 1 279.472 2.322 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172108806 815298473 /nfs/dbraw/zinc/29/84/73/815298473.db2.gz ZOANUUYWGXIFET-DGXTUMSLSA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172108806 815298474 /nfs/dbraw/zinc/29/84/74/815298474.db2.gz ZOANUUYWGXIFET-DGXTUMSLSA-N 2 1 294.439 2.323 20 0 CEADMP CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034288341 809573078 /nfs/dbraw/zinc/57/30/78/809573078.db2.gz NPQALICPBACQGR-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034288341 809573081 /nfs/dbraw/zinc/57/30/81/809573081.db2.gz NPQALICPBACQGR-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034288341 809573087 /nfs/dbraw/zinc/57/30/87/809573087.db2.gz NPQALICPBACQGR-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702654721 809574411 /nfs/dbraw/zinc/57/44/11/809574411.db2.gz VRVLYODGIQYAJX-MRXNPFEDSA-N 2 1 262.397 2.013 20 0 CEADMP CCCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702654721 809574413 /nfs/dbraw/zinc/57/44/13/809574413.db2.gz VRVLYODGIQYAJX-MRXNPFEDSA-N 2 1 262.397 2.013 20 0 CEADMP Cc1nnc2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cn12 ZINC001172110644 815300573 /nfs/dbraw/zinc/30/05/73/815300573.db2.gz LDYRIGUHRXOGNB-MUJYYYPQSA-N 2 1 299.422 2.143 20 0 CEADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC001172112858 815301563 /nfs/dbraw/zinc/30/15/63/815301563.db2.gz GEBFLWVVUPYJQO-OYQDBORRSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC001172112858 815301568 /nfs/dbraw/zinc/30/15/68/815301568.db2.gz GEBFLWVVUPYJQO-OYQDBORRSA-N 2 1 252.402 2.111 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC001172112858 815301572 /nfs/dbraw/zinc/30/15/72/815301572.db2.gz GEBFLWVVUPYJQO-OYQDBORRSA-N 2 1 252.402 2.111 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOc1ccncc1)C2 ZINC001172114319 815303690 /nfs/dbraw/zinc/30/36/90/815303690.db2.gz QIGIYZYJIKOQPX-QDMKHBRRSA-N 2 1 275.396 2.065 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529072 809625032 /nfs/dbraw/zinc/62/50/32/809625032.db2.gz WCQJAKHXRZNJAC-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1C[C@@H]2CC[C@H](Nc3cc[nH+]c4ccccc34)[C@@H]2C1 ZINC001121008808 815304511 /nfs/dbraw/zinc/30/45/11/815304511.db2.gz SJOHAIDCDXHMKM-BJJXKVORSA-N 2 1 267.376 2.409 20 0 CEADMP CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001034649753 809651103 /nfs/dbraw/zinc/65/11/03/809651103.db2.gz SQURJLIXFJXIKP-YHUYYLMFSA-N 2 1 295.471 2.144 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@](F)(CO)CC1)C2 ZINC001172116666 815306545 /nfs/dbraw/zinc/30/65/45/815306545.db2.gz BRFWLRMOEYIVFW-FXUDXRNXSA-N 2 1 284.419 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@](F)(CO)CC1)C2 ZINC001172116666 815306551 /nfs/dbraw/zinc/30/65/51/815306551.db2.gz BRFWLRMOEYIVFW-FXUDXRNXSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@](F)(CO)CC1)C2 ZINC001172116666 815306557 /nfs/dbraw/zinc/30/65/57/815306557.db2.gz BRFWLRMOEYIVFW-FXUDXRNXSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@](F)(CO)CC1)C2 ZINC001172116666 815306563 /nfs/dbraw/zinc/30/65/63/815306563.db2.gz BRFWLRMOEYIVFW-FXUDXRNXSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ncccc1C(F)(F)F ZINC001117953770 809664050 /nfs/dbraw/zinc/66/40/50/809664050.db2.gz OXBJEEOWCXAYHH-SECBINFHSA-N 2 1 261.291 2.046 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000703581362 809666724 /nfs/dbraw/zinc/66/67/24/809666724.db2.gz BSOIBIUPUQADGA-GOEBONIOSA-N 2 1 260.381 2.127 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000703581362 809666726 /nfs/dbraw/zinc/66/67/26/809666726.db2.gz BSOIBIUPUQADGA-GOEBONIOSA-N 2 1 260.381 2.127 20 0 CEADMP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001034736767 809678506 /nfs/dbraw/zinc/67/85/06/809678506.db2.gz BPINADAHWOXOCK-BZUAXINKSA-N 2 1 295.471 2.144 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@H]([NH+]3CCCC3)C1)C2 ZINC001172121383 815312824 /nfs/dbraw/zinc/31/28/24/815312824.db2.gz FHVQJGYKFXBJTB-YVSFHVDLSA-N 2 1 277.456 2.172 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC3(CCC(=O)O3)CC1)C2 ZINC001172121018 815308950 /nfs/dbraw/zinc/30/89/50/815308950.db2.gz BJNLYEZBMDHKON-QDMKHBRRSA-N 2 1 292.423 2.173 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCC(=O)O3)CC1)C2 ZINC001172121018 815308961 /nfs/dbraw/zinc/30/89/61/815308961.db2.gz BJNLYEZBMDHKON-QDMKHBRRSA-N 2 1 292.423 2.173 20 0 CEADMP CCC1(O)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172121406 815311304 /nfs/dbraw/zinc/31/13/04/815311304.db2.gz FVRHLKROTCSSND-FICVDOATSA-N 2 1 266.429 2.239 20 0 CEADMP CCC1(O)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172121406 815311309 /nfs/dbraw/zinc/31/13/09/815311309.db2.gz FVRHLKROTCSSND-FICVDOATSA-N 2 1 266.429 2.239 20 0 CEADMP C([NH2+][C@H](C1CC1)C1CCC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000705299272 809778015 /nfs/dbraw/zinc/77/80/15/809778015.db2.gz LSSVRLHIUIXHJR-OAGGEKHMSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+][C@H](C1CC1)C1CCC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000705299272 809778017 /nfs/dbraw/zinc/77/80/17/809778017.db2.gz LSSVRLHIUIXHJR-OAGGEKHMSA-N 2 1 264.413 2.018 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000706557775 809834484 /nfs/dbraw/zinc/83/44/84/809834484.db2.gz UXKXXZWMCKXYGA-CYBMUJFWSA-N 2 1 299.459 2.316 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CSc3ccccc3C2)C1 ZINC001172190028 815319402 /nfs/dbraw/zinc/31/94/02/815319402.db2.gz ICWCYHHZVLTTPV-TZMCWYRMSA-N 2 1 262.422 2.245 20 0 CEADMP C[C@H](C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)CC(C)(C)C ZINC000709164180 809945813 /nfs/dbraw/zinc/94/58/13/809945813.db2.gz KQMZRSFHTABDPF-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C[C@H]1C[NH3+] ZINC000709703941 809953942 /nfs/dbraw/zinc/95/39/42/809953942.db2.gz VJBUNMXKPAWWIU-JHJVBQTASA-N 2 1 254.418 2.107 20 0 CEADMP CCCCOC(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000709293368 809959297 /nfs/dbraw/zinc/95/92/97/809959297.db2.gz ZNVCYXSVWGPUPW-UHFFFAOYSA-N 2 1 282.428 2.138 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCCCCC[NH3+])C1 ZINC000710335867 809987283 /nfs/dbraw/zinc/98/72/83/809987283.db2.gz KKZFSIDAZBJSAD-AWEZNQCLSA-N 2 1 283.460 2.132 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CC(=O)NC1CCCCCC1 ZINC000710696062 809990718 /nfs/dbraw/zinc/99/07/18/809990718.db2.gz VMVCFXIIFKTASC-UHFFFAOYSA-N 2 1 283.460 2.276 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)CC1CCC2(CC2)CC1 ZINC000711639854 810087773 /nfs/dbraw/zinc/08/77/73/810087773.db2.gz PTDIEFYIEIANRE-UHFFFAOYSA-N 2 1 254.418 2.125 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000923361614 810089318 /nfs/dbraw/zinc/08/93/18/810089318.db2.gz HRZQNLLPTUIIFD-RCCFBDPRSA-N 2 1 288.435 2.350 20 0 CEADMP NC[C@@H]1c2ccccc2CC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923384201 810090401 /nfs/dbraw/zinc/09/04/01/810090401.db2.gz CTLPTAHUVBBDLD-KTWXZFIHSA-N 2 1 299.462 2.465 20 0 CEADMP NC[C@@H]1c2ccccc2CC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923384201 810090405 /nfs/dbraw/zinc/09/04/05/810090405.db2.gz CTLPTAHUVBBDLD-KTWXZFIHSA-N 2 1 299.462 2.465 20 0 CEADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172222879 815338957 /nfs/dbraw/zinc/33/89/57/815338957.db2.gz JVQAWGNUBADWPR-GOOCMWNKSA-N 3 1 297.487 2.172 20 0 CEADMP CC(=O)Nc1cc[nH+]c(NCC(C)(C)C[NH+](C)C)c1 ZINC001168762737 810091414 /nfs/dbraw/zinc/09/14/14/810091414.db2.gz NWOMVZNPVYKHCC-UHFFFAOYSA-N 2 1 264.373 2.040 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000711838371 810097798 /nfs/dbraw/zinc/09/77/98/810097798.db2.gz CFVOOKJBJKGQAF-GDBMZVCRSA-N 2 1 266.429 2.266 20 0 CEADMP CCOC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506251 810104164 /nfs/dbraw/zinc/10/41/64/810104164.db2.gz GXFKGRWOIBJMOK-ZIAGYGMSSA-N 2 1 282.428 2.040 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923503683 810105835 /nfs/dbraw/zinc/10/58/35/810105835.db2.gz KUXCEFQYKYNETI-HUUCEWRRSA-N 2 1 262.397 2.291 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001017266660 810502371 /nfs/dbraw/zinc/50/23/71/810502371.db2.gz MDYJESWQCYEHRR-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001017266660 810502375 /nfs/dbraw/zinc/50/23/75/810502375.db2.gz MDYJESWQCYEHRR-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001017266660 810502381 /nfs/dbraw/zinc/50/23/81/810502381.db2.gz MDYJESWQCYEHRR-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2cccc3[nH]ccc32)CC[C@H]1F ZINC001206164013 815395428 /nfs/dbraw/zinc/39/54/28/815395428.db2.gz IQWGYJXTJPTEQY-KGLIPLIRSA-N 2 1 261.344 2.429 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)CC[C@H]1F ZINC001206164013 815395432 /nfs/dbraw/zinc/39/54/32/815395432.db2.gz IQWGYJXTJPTEQY-KGLIPLIRSA-N 2 1 261.344 2.429 20 0 CEADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001172352707 815400477 /nfs/dbraw/zinc/40/04/77/815400477.db2.gz ILQWOCCBIHEANM-TUVASFSCSA-N 2 1 254.418 2.074 20 0 CEADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001172352707 815400480 /nfs/dbraw/zinc/40/04/80/815400480.db2.gz ILQWOCCBIHEANM-TUVASFSCSA-N 2 1 254.418 2.074 20 0 CEADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001172352707 815400482 /nfs/dbraw/zinc/40/04/82/815400482.db2.gz ILQWOCCBIHEANM-TUVASFSCSA-N 2 1 254.418 2.074 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1F ZINC001206164174 815402139 /nfs/dbraw/zinc/40/21/39/815402139.db2.gz JIDKPGKAFGWGFT-GXTWGEPZSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1F ZINC001206164174 815402141 /nfs/dbraw/zinc/40/21/41/815402141.db2.gz JIDKPGKAFGWGFT-GXTWGEPZSA-N 2 1 254.324 2.395 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC(C)C ZINC001085628743 810858171 /nfs/dbraw/zinc/85/81/71/810858171.db2.gz DXNVUDXMYAKCBZ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC(C)C ZINC001085628743 810858179 /nfs/dbraw/zinc/85/81/79/810858179.db2.gz DXNVUDXMYAKCBZ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC(C)C ZINC001085628743 810858183 /nfs/dbraw/zinc/85/81/83/810858183.db2.gz DXNVUDXMYAKCBZ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085855721 810945914 /nfs/dbraw/zinc/94/59/14/810945914.db2.gz HUYNRJASYOPTAR-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000713595427 810984190 /nfs/dbraw/zinc/98/41/90/810984190.db2.gz GBXGGJASJBVCRY-MCIONIFRSA-N 2 1 254.418 2.108 20 0 CEADMP COC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC001168772615 811014576 /nfs/dbraw/zinc/01/45/76/811014576.db2.gz MIEZTLMHKUHOJW-ILTLLKDXSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC001168772615 811014582 /nfs/dbraw/zinc/01/45/82/811014582.db2.gz MIEZTLMHKUHOJW-ILTLLKDXSA-N 2 1 282.428 2.038 20 0 CEADMP CC(C)[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000381946765 811123275 /nfs/dbraw/zinc/12/32/75/811123275.db2.gz ZIMJKQQPQOCUQN-KRWDZBQOSA-N 2 1 276.424 2.354 20 0 CEADMP CC(C)[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000381946765 811123283 /nfs/dbraw/zinc/12/32/83/811123283.db2.gz ZIMJKQQPQOCUQN-KRWDZBQOSA-N 2 1 276.424 2.354 20 0 CEADMP CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041404260 811164351 /nfs/dbraw/zinc/16/43/51/811164351.db2.gz RKPBOWJBOVICKF-WBVHZDCISA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001168845194 811276073 /nfs/dbraw/zinc/27/60/73/811276073.db2.gz KWCZLWZAZPHFAW-UONOGXRCSA-N 2 1 299.459 2.268 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCC[NH+](C)C)CN1C(=O)OC(C)(C)C ZINC001168845194 811276079 /nfs/dbraw/zinc/27/60/79/811276079.db2.gz KWCZLWZAZPHFAW-UONOGXRCSA-N 2 1 299.459 2.268 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOc1ccccc1)C2 ZINC001169077881 811376411 /nfs/dbraw/zinc/37/64/11/811376411.db2.gz BDTOOPINJFNYOO-QDMKHBRRSA-N 2 1 260.381 2.280 20 0 CEADMP CCc1nnc2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)cn21 ZINC001169116157 811383564 /nfs/dbraw/zinc/38/35/64/811383564.db2.gz ONRNUUDJLCCVNH-QDMKHBRRSA-N 2 1 299.422 2.007 20 0 CEADMP CCc1nnc2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cn21 ZINC001169116157 811383570 /nfs/dbraw/zinc/38/35/70/811383570.db2.gz ONRNUUDJLCCVNH-QDMKHBRRSA-N 2 1 299.422 2.007 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CCO)c1ccc(F)cc1)C2 ZINC001169090866 811384501 /nfs/dbraw/zinc/38/45/01/811384501.db2.gz MKETYMFFIACPMA-YVSFHVDLSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CCO)c1ccc(F)cc1)C2 ZINC001169090866 811384509 /nfs/dbraw/zinc/38/45/09/811384509.db2.gz MKETYMFFIACPMA-YVSFHVDLSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+](CC3CCCC3)CC1)C2 ZINC001169139658 811401211 /nfs/dbraw/zinc/40/12/11/811401211.db2.gz CUNQDWQHJAYXPK-PIIMJCKOSA-N 2 1 291.483 2.419 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1O ZINC001169115011 811405352 /nfs/dbraw/zinc/40/53/52/811405352.db2.gz GODWRDCBZOWSBD-ZSOGYDGISA-N 2 1 276.380 2.116 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1O ZINC001169115011 811405356 /nfs/dbraw/zinc/40/53/56/811405356.db2.gz GODWRDCBZOWSBD-ZSOGYDGISA-N 2 1 276.380 2.116 20 0 CEADMP CC(C)[N@@H+](CCCCCO)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169153567 811413766 /nfs/dbraw/zinc/41/37/66/811413766.db2.gz KXBDNXAQQFUMKI-ZSHCYNCHSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[N@H+](CCCCCO)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153567 811413773 /nfs/dbraw/zinc/41/37/73/811413773.db2.gz KXBDNXAQQFUMKI-ZSHCYNCHSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[N@@H+](CCCCCO)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153567 811413780 /nfs/dbraw/zinc/41/37/80/811413780.db2.gz KXBDNXAQQFUMKI-ZSHCYNCHSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[NH+](CCCCCO)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153567 811413786 /nfs/dbraw/zinc/41/37/86/811413786.db2.gz KXBDNXAQQFUMKI-ZSHCYNCHSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[NH+](CCCCCO)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153567 811413793 /nfs/dbraw/zinc/41/37/93/811413793.db2.gz KXBDNXAQQFUMKI-ZSHCYNCHSA-N 2 1 268.445 2.485 20 0 CEADMP CC(C)[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044741497 811531523 /nfs/dbraw/zinc/53/15/23/811531523.db2.gz CAACQZZFSWECMG-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044741499 811531732 /nfs/dbraw/zinc/53/17/32/811531732.db2.gz CAACQZZFSWECMG-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CC2)[C@@H](C)C1 ZINC001169554217 811564004 /nfs/dbraw/zinc/56/40/04/811564004.db2.gz IJRSRQJDVAYJTJ-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP CC(=O)N1CCC[C@@H]([N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169596628 811580810 /nfs/dbraw/zinc/58/08/10/811580810.db2.gz NRNAOQGYTWKICX-DJIMGWMZSA-N 2 1 293.455 2.122 20 0 CEADMP CC(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001045390902 811606267 /nfs/dbraw/zinc/60/62/67/811606267.db2.gz WMVRABQFXARXOI-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCC(C)C ZINC001156530064 811800432 /nfs/dbraw/zinc/80/04/32/811800432.db2.gz JHDAYBSANSSJEL-OAHLLOKOSA-N 2 1 285.476 2.201 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CCC(C)C ZINC001156530064 811800441 /nfs/dbraw/zinc/80/04/41/811800441.db2.gz JHDAYBSANSSJEL-OAHLLOKOSA-N 2 1 285.476 2.201 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001156530064 811800450 /nfs/dbraw/zinc/80/04/50/811800450.db2.gz JHDAYBSANSSJEL-OAHLLOKOSA-N 2 1 285.476 2.201 20 0 CEADMP CCC[NH+](CCC)CC[NH2+][C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172584759 815476897 /nfs/dbraw/zinc/47/68/97/815476897.db2.gz AEQMWNDDGYAFEK-GJZGRUSLSA-N 2 1 284.444 2.430 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+]C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172643994 815481418 /nfs/dbraw/zinc/48/14/18/815481418.db2.gz IQBVPLQUMHOASQ-GFCCVEGCSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C)[NH+](C)C ZINC001109444171 811890088 /nfs/dbraw/zinc/89/00/88/811890088.db2.gz VOIVVAJXQPUTPV-QXSJWSMHSA-N 2 1 293.455 2.014 20 0 CEADMP Cc1cc([NH+]2CCCCC2)ccc1NC[C@@H]1COCC[NH2+]1 ZINC001170048173 812004356 /nfs/dbraw/zinc/00/43/56/812004356.db2.gz WOJSJVBMAURYBN-OAHLLOKOSA-N 2 1 289.423 2.386 20 0 CEADMP COc1cc(C)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cn1 ZINC001206566298 812095525 /nfs/dbraw/zinc/09/55/25/812095525.db2.gz ZGVULIYYOKSYIM-MRXNPFEDSA-N 2 1 277.412 2.350 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001172768369 815514237 /nfs/dbraw/zinc/51/42/37/815514237.db2.gz RZFOLOGFLBCPLJ-OAGGEKHMSA-N 2 1 296.455 2.430 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CCN(CCCC2CCC2)CC1 ZINC001113687863 812302072 /nfs/dbraw/zinc/30/20/72/812302072.db2.gz QIDVUAFMAIDXRF-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](CCCC2CCC2)CC1 ZINC001113687863 812302088 /nfs/dbraw/zinc/30/20/88/812302088.db2.gz QIDVUAFMAIDXRF-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H]1C[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)CCO1 ZINC001170234914 812350231 /nfs/dbraw/zinc/35/02/31/812350231.db2.gz JOPGGYFUKSOAJL-UONOGXRCSA-N 2 1 263.385 2.480 20 0 CEADMP C[N@H+]1CCC[C@H](Nc2ccc(C[NH3+])c(F)c2)CC1 ZINC001254512439 812424879 /nfs/dbraw/zinc/42/48/79/812424879.db2.gz NMMFHFAKCVYPHC-LBPRGKRZSA-N 2 1 251.349 2.181 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766659 812456887 /nfs/dbraw/zinc/45/68/87/812456887.db2.gz KACVXECSVXTJGR-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001052869773 812471615 /nfs/dbraw/zinc/47/16/15/812471615.db2.gz LWSDSZCOJWOZJS-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001052869773 812471618 /nfs/dbraw/zinc/47/16/18/812471618.db2.gz LWSDSZCOJWOZJS-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052869773 812471620 /nfs/dbraw/zinc/47/16/20/812471620.db2.gz LWSDSZCOJWOZJS-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129840029 812514932 /nfs/dbraw/zinc/51/49/32/812514932.db2.gz DPORPRYZSZGATD-HNNXBMFYSA-N 2 1 283.460 2.003 20 0 CEADMP Cc1ccc2c(c1)C[C@@H]([NH+]1C[C@H]3C[N@@H+](C)C[C@H]3C1)CC2 ZINC001172843804 815535762 /nfs/dbraw/zinc/53/57/62/815535762.db2.gz PARGPYQUCCGHIP-KSZLIROESA-N 2 1 270.420 2.346 20 0 CEADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C(=O)OC)C2)C1 ZINC001170525835 812626186 /nfs/dbraw/zinc/62/61/86/812626186.db2.gz UMGJMGFIPGLTNT-RDBSUJKOSA-N 2 1 282.428 2.181 20 0 CEADMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C(=O)OC)C2)C1 ZINC001170525835 812626190 /nfs/dbraw/zinc/62/61/90/812626190.db2.gz UMGJMGFIPGLTNT-RDBSUJKOSA-N 2 1 282.428 2.181 20 0 CEADMP Cc1cc(C(F)(F)F)cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)[nH+]1 ZINC001170557716 812662969 /nfs/dbraw/zinc/66/29/69/812662969.db2.gz GHMRUIOEOVPWAW-KOLCDFICSA-N 2 1 289.301 2.198 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C1 ZINC001172926275 815548287 /nfs/dbraw/zinc/54/82/87/815548287.db2.gz PCWDCTZMWXQHNG-GVDBMIGSSA-N 2 1 296.455 2.035 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C1 ZINC001172926275 815548289 /nfs/dbraw/zinc/54/82/89/815548289.db2.gz PCWDCTZMWXQHNG-GVDBMIGSSA-N 2 1 296.455 2.035 20 0 CEADMP CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001050365896 812811216 /nfs/dbraw/zinc/81/12/16/812811216.db2.gz LNKAIVHDHWPCIY-SHTZXODSSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC2CC2)C1 ZINC001132441902 812856474 /nfs/dbraw/zinc/85/64/74/812856474.db2.gz VBJSJFAGVMTSIF-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132441902 812856482 /nfs/dbraw/zinc/85/64/82/812856482.db2.gz VBJSJFAGVMTSIF-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2CC2)C1 ZINC001132441902 812856493 /nfs/dbraw/zinc/85/64/93/812856493.db2.gz VBJSJFAGVMTSIF-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132441123 812856593 /nfs/dbraw/zinc/85/65/93/812856593.db2.gz KVIURWOMAFLJFB-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132441123 812856601 /nfs/dbraw/zinc/85/66/01/812856601.db2.gz KVIURWOMAFLJFB-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132441123 812856607 /nfs/dbraw/zinc/85/66/07/812856607.db2.gz KVIURWOMAFLJFB-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132493154 812869325 /nfs/dbraw/zinc/86/93/25/812869325.db2.gz JQVBMPPKHKBBPK-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548839 812886961 /nfs/dbraw/zinc/88/69/61/812886961.db2.gz KENPDKJMOIATIP-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(C)n1 ZINC001206185070 815565942 /nfs/dbraw/zinc/56/59/42/815565942.db2.gz LDNVMYDSVIQDFP-KBPBESRZSA-N 2 1 281.375 2.050 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(C)n1 ZINC001206185070 815565947 /nfs/dbraw/zinc/56/59/47/815565947.db2.gz LDNVMYDSVIQDFP-KBPBESRZSA-N 2 1 281.375 2.050 20 0 CEADMP C(CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)CC1CCOCC1 ZINC000389166659 813248461 /nfs/dbraw/zinc/24/84/61/813248461.db2.gz DRCVEHSJUMZWEF-JKSUJKDBSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCCC(C)(C)[NH3+] ZINC000389857934 813255378 /nfs/dbraw/zinc/25/53/78/813255378.db2.gz CUPFKGCTSORVHC-HOCLYGCPSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCCC(C)(C)[NH3+] ZINC000389857934 813255385 /nfs/dbraw/zinc/25/53/85/813255385.db2.gz CUPFKGCTSORVHC-HOCLYGCPSA-N 2 1 275.440 2.224 20 0 CEADMP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170831442 813488358 /nfs/dbraw/zinc/48/83/58/813488358.db2.gz OXLJNPDBZQLVFH-QGZVFWFLSA-N 2 1 296.455 2.131 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001135980877 813577620 /nfs/dbraw/zinc/57/76/20/813577620.db2.gz UJTBSZUHPMGNFX-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000396669181 813579592 /nfs/dbraw/zinc/57/95/92/813579592.db2.gz PVOHNFXWZTZVEX-DOMZBBRYSA-N 2 1 257.381 2.441 20 0 CEADMP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995157 813582100 /nfs/dbraw/zinc/58/21/00/813582100.db2.gz ACAGNMLEGRFLPR-LSDHHAIUSA-N 2 1 285.476 2.391 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001246121771 813707732 /nfs/dbraw/zinc/70/77/32/813707732.db2.gz SQYUCNZRCSOPOU-KBPBESRZSA-N 3 1 281.488 2.473 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCOC(C)(C)C1 ZINC001255549197 813736614 /nfs/dbraw/zinc/73/66/14/813736614.db2.gz JDQCGOQREBYOPR-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC001246332208 813786070 /nfs/dbraw/zinc/78/60/70/813786070.db2.gz PZDYORYHQWPWLS-HUBLWGQQSA-N 2 1 250.361 2.344 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001074050561 813800310 /nfs/dbraw/zinc/80/03/10/813800310.db2.gz HSFMOZDOMNPWPM-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001074050561 813800321 /nfs/dbraw/zinc/80/03/21/813800321.db2.gz HSFMOZDOMNPWPM-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001074050561 813800330 /nfs/dbraw/zinc/80/03/30/813800330.db2.gz HSFMOZDOMNPWPM-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126212 813990094 /nfs/dbraw/zinc/99/00/94/813990094.db2.gz PEVZFTOFKMUBQC-LSDHHAIUSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(C)C)C1 ZINC001091057992 814039250 /nfs/dbraw/zinc/03/92/50/814039250.db2.gz IGEQFVUYTVEKQE-GPANFISMSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)OCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246563336 814051220 /nfs/dbraw/zinc/05/12/20/814051220.db2.gz PXARWUJWNMYXJD-QLFBSQMISA-N 2 1 256.434 2.497 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC001246565531 814060412 /nfs/dbraw/zinc/06/04/12/814060412.db2.gz HWKQVDBBZCRFRU-KBXIAJHMSA-N 2 1 282.428 2.025 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CCO1 ZINC001246569065 814075521 /nfs/dbraw/zinc/07/55/21/814075521.db2.gz PNKXVVNVQMPDIV-GBJTYRQASA-N 2 1 254.418 2.251 20 0 CEADMP COC1CCC([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC001246570812 814090124 /nfs/dbraw/zinc/09/01/24/814090124.db2.gz VZKZOYMEKGWWAW-LMRVLLHPSA-N 2 1 254.418 2.251 20 0 CEADMP CCCCCC[C@@H](CCC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246578312 814136684 /nfs/dbraw/zinc/13/66/84/814136684.db2.gz ARXJBGIAJOJXQW-ZNMIVQPWSA-N 2 1 256.434 2.377 20 0 CEADMP CCCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001100681889 814172265 /nfs/dbraw/zinc/17/22/65/814172265.db2.gz WQCGSJSWSNAPOR-UHFFFAOYSA-N 2 1 297.487 2.249 20 0 CEADMP CCC/C=C\CC[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171219493 814175767 /nfs/dbraw/zinc/17/57/67/814175767.db2.gz XZZOZGJTJSRIHJ-KJPDOMRESA-N 2 1 295.471 2.171 20 0 CEADMP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246592134 814185337 /nfs/dbraw/zinc/18/53/37/814185337.db2.gz OKRITNGNCIOSPT-ZJIFWQFVSA-N 3 1 267.461 2.356 20 0 CEADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)CC[NH2+]1 ZINC001246592134 814185340 /nfs/dbraw/zinc/18/53/40/814185340.db2.gz OKRITNGNCIOSPT-ZJIFWQFVSA-N 3 1 267.461 2.356 20 0 CEADMP CCCCCC[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171228176 814193466 /nfs/dbraw/zinc/19/34/66/814193466.db2.gz SNGKLKLJRYWUKT-OAHLLOKOSA-N 2 1 283.460 2.004 20 0 CEADMP C1[NH2+]CC12CC[NH+]([C@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246600934 814200665 /nfs/dbraw/zinc/20/06/65/814200665.db2.gz JGRNZAWRDVCHED-HNNXBMFYSA-N 3 1 277.456 2.127 20 0 CEADMP Oc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1F ZINC000232421395 814249194 /nfs/dbraw/zinc/24/91/94/814249194.db2.gz MRNZNBGLDNNMBR-UHFFFAOYSA-N 2 1 252.333 2.107 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246791192 814259575 /nfs/dbraw/zinc/25/95/75/814259575.db2.gz QDIDUEUBLFRRMS-RDBSUJKOSA-N 2 1 282.428 2.181 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)c2ccccc2)CC[NH2+]1 ZINC001246826772 814267482 /nfs/dbraw/zinc/26/74/82/814267482.db2.gz XRUPNGKILBGLHO-ZFWWWQNUSA-N 2 1 260.381 2.332 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)c2ccccc2)CC[NH2+]1 ZINC001246826772 814267488 /nfs/dbraw/zinc/26/74/88/814267488.db2.gz XRUPNGKILBGLHO-ZFWWWQNUSA-N 2 1 260.381 2.332 20 0 CEADMP C[C@H]1C[C@@H]([NH+]2CCC3(CCOCC3)CC2)CC[NH2+]1 ZINC001246844556 814279042 /nfs/dbraw/zinc/27/90/42/814279042.db2.gz ZHZSCWTWVNGMBE-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706488 814310858 /nfs/dbraw/zinc/31/08/58/814310858.db2.gz FQIWBYGISVPCHT-LSDHHAIUSA-N 2 1 291.439 2.011 20 0 CEADMP CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706488 814310864 /nfs/dbraw/zinc/31/08/64/814310864.db2.gz FQIWBYGISVPCHT-LSDHHAIUSA-N 2 1 291.439 2.011 20 0 CEADMP CCCCCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320443 814378102 /nfs/dbraw/zinc/37/81/02/814378102.db2.gz CTAYUZPJZPZNJK-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCCC[C@@H]1C[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CCN1 ZINC001246917129 814397155 /nfs/dbraw/zinc/39/71/55/814397155.db2.gz FEJIBANTOCCOCZ-HZPDHXFCSA-N 2 1 279.472 2.373 20 0 CEADMP CCCC[C@@H]1CN([C@@H]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246917129 814397161 /nfs/dbraw/zinc/39/71/61/814397161.db2.gz FEJIBANTOCCOCZ-HZPDHXFCSA-N 2 1 279.472 2.373 20 0 CEADMP C[NH2+]CC[C@@H](C)[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246951256 814470025 /nfs/dbraw/zinc/47/00/25/814470025.db2.gz STMQJGWKBMCWST-CYBMUJFWSA-N 3 1 255.450 2.085 20 0 CEADMP C[NH2+]CC[C@@H](C)[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246951256 814470029 /nfs/dbraw/zinc/47/00/29/814470029.db2.gz STMQJGWKBMCWST-CYBMUJFWSA-N 3 1 255.450 2.085 20 0 CEADMP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398385 814497626 /nfs/dbraw/zinc/49/76/26/814497626.db2.gz QKUZZEDSUFCDBG-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC001173110843 815582408 /nfs/dbraw/zinc/58/24/08/815582408.db2.gz ZEOICIQIKRYXIG-WLYUNCDWSA-N 2 1 254.418 2.360 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C[C@H]1C[NH3+] ZINC000714379450 814889316 /nfs/dbraw/zinc/88/93/16/814889316.db2.gz IUZMZBDHHIUDNK-MCIONIFRSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1CCCC(C)(C)O1)C2 ZINC000714331989 814894218 /nfs/dbraw/zinc/89/42/18/814894218.db2.gz WQDYGDFRZBKHTG-BMFZPTHFSA-N 2 1 266.429 2.266 20 0 CEADMP COc1cccc2c1C[C@@H]([N@@H+](C)C1CCN(C)CC1)CO2 ZINC001173151519 815609171 /nfs/dbraw/zinc/60/91/71/815609171.db2.gz HVKCLICMDLWYJS-CQSZACIVSA-N 2 1 290.407 2.025 20 0 CEADMP COc1cccc2c1C[C@@H](N(C)C1CC[NH+](C)CC1)CO2 ZINC001173151519 815609175 /nfs/dbraw/zinc/60/91/75/815609175.db2.gz HVKCLICMDLWYJS-CQSZACIVSA-N 2 1 290.407 2.025 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001124878511 815634379 /nfs/dbraw/zinc/63/43/79/815634379.db2.gz NDRAMSREAOPNEJ-HNNXBMFYSA-N 2 1 295.471 2.003 20 0 CEADMP COc1c(C)cccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206197078 815651279 /nfs/dbraw/zinc/65/12/79/815651279.db2.gz GESHKFIVCVDWOT-KGLIPLIRSA-N 2 1 266.360 2.265 20 0 CEADMP CC[N@H+]1CC[C@H](NC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001173355399 815696427 /nfs/dbraw/zinc/69/64/27/815696427.db2.gz QAORCJICLMHKDV-ZDUSSCGKSA-N 2 1 267.461 2.322 20 0 CEADMP CCN1CC[C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001173355399 815696431 /nfs/dbraw/zinc/69/64/31/815696431.db2.gz QAORCJICLMHKDV-ZDUSSCGKSA-N 2 1 267.461 2.322 20 0 CEADMP CC[N@H+]1CC[C@@H](n2cncc2-c2cccc(C[NH3+])c2)C1 ZINC001173355943 815696515 /nfs/dbraw/zinc/69/65/15/815696515.db2.gz ACPKNFXDBOJVIC-OAHLLOKOSA-N 2 1 270.380 2.276 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001173364622 815703183 /nfs/dbraw/zinc/70/31/83/815703183.db2.gz XNMBRXJBRKXUIX-IAGOWNOFSA-N 2 1 279.472 2.421 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001173368393 815704688 /nfs/dbraw/zinc/70/46/88/815704688.db2.gz PFGKZCMUDSQNKU-WMZOPIPTSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001173368393 815704693 /nfs/dbraw/zinc/70/46/93/815704693.db2.gz PFGKZCMUDSQNKU-WMZOPIPTSA-N 2 1 287.451 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001173368393 815704697 /nfs/dbraw/zinc/70/46/97/815704697.db2.gz PFGKZCMUDSQNKU-WMZOPIPTSA-N 2 1 287.451 2.287 20 0 CEADMP CC[N@H+]1CC[C@H](N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2)C1 ZINC001173366161 815704832 /nfs/dbraw/zinc/70/48/32/815704832.db2.gz WUMWQWCXNKGTCK-BZSNNMDCSA-N 2 1 285.435 2.039 20 0 CEADMP CC[NH+]1CC[C@H](N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)C1 ZINC001173366161 815704835 /nfs/dbraw/zinc/70/48/35/815704835.db2.gz WUMWQWCXNKGTCK-BZSNNMDCSA-N 2 1 285.435 2.039 20 0 CEADMP CC[NH+]1CC[C@H](N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)C1 ZINC001173366161 815704837 /nfs/dbraw/zinc/70/48/37/815704837.db2.gz WUMWQWCXNKGTCK-BZSNNMDCSA-N 2 1 285.435 2.039 20 0 CEADMP CC[N@H+]1CC[C@H](N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001173365805 815705729 /nfs/dbraw/zinc/70/57/29/815705729.db2.gz OTPQUCVIEQHOIC-QRVBRYPASA-N 2 1 299.462 2.144 20 0 CEADMP CCN1CC[C@H]([NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001173365805 815705733 /nfs/dbraw/zinc/70/57/33/815705733.db2.gz OTPQUCVIEQHOIC-QRVBRYPASA-N 2 1 299.462 2.144 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC[NH+](C)Cc2ccccc2)C1 ZINC001173367555 815706340 /nfs/dbraw/zinc/70/63/40/815706340.db2.gz IDPFUQYIVISSLO-KRWDZBQOSA-N 2 1 275.440 2.144 20 0 CEADMP CC[NH+]1CC[C@H](N(C)CC[N@H+](C)Cc2ccccc2)C1 ZINC001173367555 815706344 /nfs/dbraw/zinc/70/63/44/815706344.db2.gz IDPFUQYIVISSLO-KRWDZBQOSA-N 2 1 275.440 2.144 20 0 CEADMP CC[NH+]1CC[C@H](N(C)CC[N@@H+](C)Cc2ccccc2)C1 ZINC001173367555 815706348 /nfs/dbraw/zinc/70/63/48/815706348.db2.gz IDPFUQYIVISSLO-KRWDZBQOSA-N 2 1 275.440 2.144 20 0 CEADMP CC[N@H+]1CC[C@@H](N(c2cccc(C)n2)C2CC[NH2+]CC2)C1 ZINC001173375800 815709443 /nfs/dbraw/zinc/70/94/43/815709443.db2.gz XPHYYGFVNGZMDK-MRXNPFEDSA-N 2 1 288.439 2.043 20 0 CEADMP COC(=O)CCCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001173440087 815716573 /nfs/dbraw/zinc/71/65/73/815716573.db2.gz DDHHSYZWCLSYLH-ZIAGYGMSSA-N 2 1 270.417 2.182 20 0 CEADMP C[C@@H]1CC([NH2+]C2(C[NH3+])CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173680086 815786953 /nfs/dbraw/zinc/78/69/53/815786953.db2.gz MVMYIHXVWNPGFP-VXGBXAGGSA-N 2 1 297.443 2.244 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)cc1 ZINC001138544002 815821687 /nfs/dbraw/zinc/82/16/87/815821687.db2.gz AVCXYUBDNACHPK-CXAGYDPISA-N 2 1 285.391 2.383 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)cc1 ZINC001138544002 815821694 /nfs/dbraw/zinc/82/16/94/815821694.db2.gz AVCXYUBDNACHPK-CXAGYDPISA-N 2 1 285.391 2.383 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)cc1 ZINC001138543436 815823200 /nfs/dbraw/zinc/82/32/00/815823200.db2.gz ONJWXMLPRXQKPR-MLGOLLRUSA-N 2 1 271.364 2.136 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)cc1 ZINC001138543436 815823211 /nfs/dbraw/zinc/82/32/11/815823211.db2.gz ONJWXMLPRXQKPR-MLGOLLRUSA-N 2 1 271.364 2.136 20 0 CEADMP Cc1cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c(C)s1 ZINC001138570299 815830094 /nfs/dbraw/zinc/83/00/94/815830094.db2.gz DBOXUYFFWQEYLX-UHFFFAOYSA-N 2 1 281.469 2.044 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3N3CCCC3)C[C@@H]2C1 ZINC001138612165 815844173 /nfs/dbraw/zinc/84/41/73/815844173.db2.gz BPLQRVJZUIQENK-CALCHBBNSA-N 2 1 285.435 2.280 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3N3CCCC3)C[C@@H]2C1 ZINC001138612165 815844179 /nfs/dbraw/zinc/84/41/79/815844179.db2.gz BPLQRVJZUIQENK-CALCHBBNSA-N 2 1 285.435 2.280 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3N3CCCC3)C[C@@H]2C1 ZINC001138612165 815844185 /nfs/dbraw/zinc/84/41/85/815844185.db2.gz BPLQRVJZUIQENK-CALCHBBNSA-N 2 1 285.435 2.280 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3N3CCCC3)C[C@@H]2C1 ZINC001138612165 815844192 /nfs/dbraw/zinc/84/41/92/815844192.db2.gz BPLQRVJZUIQENK-CALCHBBNSA-N 2 1 285.435 2.280 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@]1(C)O ZINC001139356181 816010732 /nfs/dbraw/zinc/01/07/32/816010732.db2.gz HNNDBGGLCXMGQM-YOEHRIQHSA-N 2 1 285.391 2.465 20 0 CEADMP CCOc1ccc(C)cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001139607194 816061291 /nfs/dbraw/zinc/06/12/91/816061291.db2.gz JRYAPTPXBIAULR-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CCOc1ccc(C)cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001139607194 816061296 /nfs/dbraw/zinc/06/12/96/816061296.db2.gz JRYAPTPXBIAULR-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CCOc1ccc(C)cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001139607194 816061303 /nfs/dbraw/zinc/06/13/03/816061303.db2.gz JRYAPTPXBIAULR-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CCOc1ccc(C)cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001139607194 816061309 /nfs/dbraw/zinc/06/13/09/816061309.db2.gz JRYAPTPXBIAULR-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CCOc1ccncc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001139629849 816069142 /nfs/dbraw/zinc/06/91/42/816069142.db2.gz XONWCOITCKHFIV-UHFFFAOYSA-N 2 1 289.423 2.398 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(C)cc(O)cc3C)C[C@@H]2C1 ZINC001139717471 816093556 /nfs/dbraw/zinc/09/35/56/816093556.db2.gz UJNLKRGNLJZJRO-GASCZTMLSA-N 2 1 274.408 2.393 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(C)cc(O)cc3C)C[C@@H]2C1 ZINC001139717471 816093563 /nfs/dbraw/zinc/09/35/63/816093563.db2.gz UJNLKRGNLJZJRO-GASCZTMLSA-N 2 1 274.408 2.393 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(C)cc(O)cc3C)C[C@@H]2C1 ZINC001139717471 816093568 /nfs/dbraw/zinc/09/35/68/816093568.db2.gz UJNLKRGNLJZJRO-GASCZTMLSA-N 2 1 274.408 2.393 20 0 CEADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175265199 816165575 /nfs/dbraw/zinc/16/55/75/816165575.db2.gz XVDAVWPYYPBMMN-HUUCEWRRSA-N 2 1 283.460 2.003 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(O)cc3Cl)C[C@@H]2C1 ZINC001140082673 816188180 /nfs/dbraw/zinc/18/81/80/816188180.db2.gz XGVKTOXJWCDTMS-YPMHNXCESA-N 2 1 280.799 2.429 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(O)cc3Cl)C[C@@H]2C1 ZINC001140082673 816188182 /nfs/dbraw/zinc/18/81/82/816188182.db2.gz XGVKTOXJWCDTMS-YPMHNXCESA-N 2 1 280.799 2.429 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(O)cc3Cl)C[C@@H]2C1 ZINC001140082673 816188184 /nfs/dbraw/zinc/18/81/84/816188184.db2.gz XGVKTOXJWCDTMS-YPMHNXCESA-N 2 1 280.799 2.429 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(O)cc3Cl)C[C@@H]2C1 ZINC001140082673 816188186 /nfs/dbraw/zinc/18/81/86/816188186.db2.gz XGVKTOXJWCDTMS-YPMHNXCESA-N 2 1 280.799 2.429 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(O)cc3Cl)C[C@@H]2C1 ZINC001140082673 816188188 /nfs/dbraw/zinc/18/81/88/816188188.db2.gz XGVKTOXJWCDTMS-YPMHNXCESA-N 2 1 280.799 2.429 20 0 CEADMP CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175529359 816222971 /nfs/dbraw/zinc/22/29/71/816222971.db2.gz URXUMGCQHLRLCE-CQSZACIVSA-N 2 1 294.443 2.291 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC(C)C ZINC001176033573 816331250 /nfs/dbraw/zinc/33/12/50/816331250.db2.gz SEUYLRFAUONWOK-HNNXBMFYSA-N 2 1 285.476 2.249 20 0 CEADMP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176167339 816358529 /nfs/dbraw/zinc/35/85/29/816358529.db2.gz YDTVELRGRKSAOD-HZPDHXFCSA-N 2 1 297.487 2.249 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC2(COC2)CC1 ZINC001140800188 816360525 /nfs/dbraw/zinc/36/05/25/816360525.db2.gz YJDMIJLXHUXHJE-UHFFFAOYSA-N 2 1 257.337 2.175 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3[nH]cc(C)c3C)C[C@H]2C1 ZINC001140864611 816387674 /nfs/dbraw/zinc/38/76/74/816387674.db2.gz YVPWIADVXGWCIR-HUUCEWRRSA-N 2 1 261.413 2.405 20 0 CEADMP CCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203103558 816500634 /nfs/dbraw/zinc/50/06/34/816500634.db2.gz LKPBGRQQBWYVNQ-ZIAGYGMSSA-N 2 1 295.471 2.144 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CC(C)C1 ZINC001176992608 816504980 /nfs/dbraw/zinc/50/49/80/816504980.db2.gz VRRVMQIBCGWCPA-GPANFISMSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cs1 ZINC001206303582 816559966 /nfs/dbraw/zinc/55/99/66/816559966.db2.gz DAZXUYUIDHFSFF-ZDUSSCGKSA-N 2 1 253.415 2.402 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc3c(c2)OCO3)CC1 ZINC001206295272 816531124 /nfs/dbraw/zinc/53/11/24/816531124.db2.gz LUXVFEFUUYMRQD-INIZCTEOSA-N 2 1 276.380 2.366 20 0 CEADMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CC)CC1)[NH+](CC)CC ZINC001161214281 816568148 /nfs/dbraw/zinc/56/81/48/816568148.db2.gz XNQCPHYYGGZSLL-INIZCTEOSA-N 2 1 295.471 2.265 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cn3cc(F)ccc3n2)CC1 ZINC001206318216 816687688 /nfs/dbraw/zinc/68/76/88/816687688.db2.gz NYBSLXQFZLXYFB-MRXNPFEDSA-N 2 1 290.386 2.424 20 0 CEADMP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178359688 816731540 /nfs/dbraw/zinc/73/15/40/816731540.db2.gz HVBWCZOYVSQEHF-JYJNAYRXSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+](C)C1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC001143102020 816785417 /nfs/dbraw/zinc/78/54/17/816785417.db2.gz UEOJQVTWCHKTOH-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC[N@@H+](C)C1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC001143102020 816785423 /nfs/dbraw/zinc/78/54/23/816785423.db2.gz UEOJQVTWCHKTOH-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178698760 816786194 /nfs/dbraw/zinc/78/61/94/816786194.db2.gz SYUDOKDDAVVDOH-CQSZACIVSA-N 2 1 292.427 2.047 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CCCC(C)C ZINC001161226331 816814231 /nfs/dbraw/zinc/81/42/31/816814231.db2.gz DCJDUHRJESKLBO-UHFFFAOYSA-N 2 1 285.476 2.249 20 0 CEADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cccc3c2CCN3)C1 ZINC001206369661 816836623 /nfs/dbraw/zinc/83/66/23/816836623.db2.gz HHQCZWXKDDWBCV-MRXNPFEDSA-N 2 1 277.387 2.308 20 0 CEADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cccc3c2CCN3)C1 ZINC001206369661 816836630 /nfs/dbraw/zinc/83/66/30/816836630.db2.gz HHQCZWXKDDWBCV-MRXNPFEDSA-N 2 1 277.387 2.308 20 0 CEADMP Cc1cnc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)s1 ZINC000124339728 187133119 /nfs/dbraw/zinc/13/31/19/187133119.db2.gz IJNFBBOGXSREAN-SNVBAGLBSA-N 2 1 250.371 2.307 20 0 CEADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000124501834 187140244 /nfs/dbraw/zinc/14/02/44/187140244.db2.gz ULBPPBNELMCNOF-AWEZNQCLSA-N 2 1 269.477 2.284 20 0 CEADMP CCC[NH2+][C@@H](C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000449087167 282095028 /nfs/dbraw/zinc/09/50/28/282095028.db2.gz UQRWIYBZTRCPAB-CABCVRRESA-N 2 1 283.460 2.145 20 0 CEADMP OC1CC[NH+](CCC[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449089989 282096321 /nfs/dbraw/zinc/09/63/21/282096321.db2.gz FSVPLCREBIVPQP-UHFFFAOYSA-N 2 1 288.391 2.369 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000449098592 282099483 /nfs/dbraw/zinc/09/94/83/282099483.db2.gz KADPXYRXAZSEIR-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP Cc1noc(C)c1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000336470242 365582033 /nfs/dbraw/zinc/58/20/33/365582033.db2.gz CRTCWGNENQWSON-HOCLYGCPSA-N 2 1 277.412 2.250 20 0 CEADMP Cc1noc(C)c1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000336470242 365582036 /nfs/dbraw/zinc/58/20/36/365582036.db2.gz CRTCWGNENQWSON-HOCLYGCPSA-N 2 1 277.412 2.250 20 0 CEADMP Cc1noc(C)c1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000336470242 365582038 /nfs/dbraw/zinc/58/20/38/365582038.db2.gz CRTCWGNENQWSON-HOCLYGCPSA-N 2 1 277.412 2.250 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000449121448 282107919 /nfs/dbraw/zinc/10/79/19/282107919.db2.gz HRFFVVDQCSQBFZ-KGLIPLIRSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000567638781 299069819 /nfs/dbraw/zinc/06/98/19/299069819.db2.gz CUWDVBZDLUIFAT-FZMZJTMJSA-N 2 1 275.396 2.205 20 0 CEADMP COCC1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000449137174 282114911 /nfs/dbraw/zinc/11/49/11/282114911.db2.gz XEVWHGGORCDULS-XSCHDIRWSA-N 2 1 254.418 2.121 20 0 CEADMP COCC1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000449137174 282114915 /nfs/dbraw/zinc/11/49/15/282114915.db2.gz XEVWHGGORCDULS-XSCHDIRWSA-N 2 1 254.418 2.121 20 0 CEADMP CCc1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000336558282 365643142 /nfs/dbraw/zinc/64/31/42/365643142.db2.gz UGFPJHXMBLTNQX-ZBFHGGJFSA-N 2 1 259.397 2.170 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)no1 ZINC000336574847 365664577 /nfs/dbraw/zinc/66/45/77/365664577.db2.gz PTSSLPPCPMWFJM-AWEZNQCLSA-N 2 1 263.385 2.147 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000125268635 365669758 /nfs/dbraw/zinc/66/97/58/365669758.db2.gz WJEFYUMERUMFPB-SJORKVTESA-N 2 1 279.472 2.279 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000125656420 365681950 /nfs/dbraw/zinc/68/19/50/365681950.db2.gz WKJHJDRCPAEWLE-UONOGXRCSA-N 2 1 297.443 2.070 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000125656420 365681955 /nfs/dbraw/zinc/68/19/55/365681955.db2.gz WKJHJDRCPAEWLE-UONOGXRCSA-N 2 1 297.443 2.070 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000125656420 365681959 /nfs/dbraw/zinc/68/19/59/365681959.db2.gz WKJHJDRCPAEWLE-UONOGXRCSA-N 2 1 297.443 2.070 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000125656420 365681963 /nfs/dbraw/zinc/68/19/63/365681963.db2.gz WKJHJDRCPAEWLE-UONOGXRCSA-N 2 1 297.443 2.070 20 0 CEADMP COc1ccccc1OCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125267404 187176942 /nfs/dbraw/zinc/17/69/42/187176942.db2.gz YDLMVVAMPTWABT-ZNMIVQPWSA-N 2 1 290.407 2.133 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CCCc1ccc(Cl)cc1)C1CC1 ZINC000567682957 299074676 /nfs/dbraw/zinc/07/46/76/299074676.db2.gz DABJAJQDCJFDIW-INIZCTEOSA-N 2 1 296.842 2.317 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCc1ccc(Cl)cc1)C1CC1 ZINC000567682957 299074678 /nfs/dbraw/zinc/07/46/78/299074678.db2.gz DABJAJQDCJFDIW-INIZCTEOSA-N 2 1 296.842 2.317 20 0 CEADMP C[N@@H+](CCOc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000036300527 361839492 /nfs/dbraw/zinc/83/94/92/361839492.db2.gz IBTJMOBKWUNTQT-UHFFFAOYSA-N 2 1 268.788 2.403 20 0 CEADMP COc1cc([C@H](C)[NH2+]CCC[NH+](C)C)cc(OC)c1OC ZINC000036984476 361878273 /nfs/dbraw/zinc/87/82/73/361878273.db2.gz ILWVUIBWEJRNIJ-LBPRGKRZSA-N 2 1 296.411 2.315 20 0 CEADMP CCC[N@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000037653856 361920182 /nfs/dbraw/zinc/92/01/82/361920182.db2.gz KUZZEDDHXDWGSQ-GASCZTMLSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000037653856 361920186 /nfs/dbraw/zinc/92/01/86/361920186.db2.gz KUZZEDDHXDWGSQ-GASCZTMLSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCC([NH2+]CCSc2ccccc2)CC1 ZINC000037854579 361955249 /nfs/dbraw/zinc/95/52/49/361955249.db2.gz VMHFPUXEXQGGTB-UHFFFAOYSA-N 2 1 250.411 2.463 20 0 CEADMP C[C@@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000338002903 214352786 /nfs/dbraw/zinc/35/27/86/214352786.db2.gz SPIDQIHSIOARRZ-FPCVCCKLSA-N 2 1 295.471 2.238 20 0 CEADMP Cc1ccncc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000676632611 539164302 /nfs/dbraw/zinc/16/43/02/539164302.db2.gz IDMAICWDDXJKBW-UHFFFAOYSA-N 2 1 268.364 2.107 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCCOc1ccc(F)cc1)C2 ZINC000621778917 349700501 /nfs/dbraw/zinc/70/05/01/349700501.db2.gz XCWBGPFNKNIWCF-CZUORRHYSA-N 2 1 278.371 2.408 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCOc1ccc(F)cc1)C2 ZINC000621778917 349700503 /nfs/dbraw/zinc/70/05/03/349700503.db2.gz XCWBGPFNKNIWCF-CZUORRHYSA-N 2 1 278.371 2.408 20 0 CEADMP Cc1cc(Cl)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000231855227 539232947 /nfs/dbraw/zinc/23/29/47/539232947.db2.gz CSMONFFDPVWOBG-CHWSQXEVSA-N 2 1 250.773 2.300 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCOc3ccccc31)C2 ZINC000622004535 349765084 /nfs/dbraw/zinc/76/50/84/349765084.db2.gz QGGMRLPHYCQHOI-KEYYUXOJSA-N 2 1 272.392 2.366 20 0 CEADMP COCC[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000446776995 539298831 /nfs/dbraw/zinc/29/88/31/539298831.db2.gz MTMIKJALTRMJRK-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP COCC[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000446776995 539298832 /nfs/dbraw/zinc/29/88/32/539298832.db2.gz MTMIKJALTRMJRK-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP COCC[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000446776995 539298833 /nfs/dbraw/zinc/29/88/33/539298833.db2.gz MTMIKJALTRMJRK-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP CCc1[nH+]ccn1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000567810367 299093549 /nfs/dbraw/zinc/09/35/49/299093549.db2.gz VMSADUMOQVWDGH-ZDUSSCGKSA-N 2 1 259.353 2.197 20 0 CEADMP Cc1ncsc1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449469052 282249384 /nfs/dbraw/zinc/24/93/84/282249384.db2.gz SEOJTIRTTYTYBJ-UHFFFAOYSA-N 2 1 296.465 2.302 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000335155687 282251729 /nfs/dbraw/zinc/25/17/29/282251729.db2.gz OLGQLYAYPOQFKL-GJZGRUSLSA-N 2 1 286.404 2.265 20 0 CEADMP Cc1cccc(N2CCC([NH2+]CC3=CCCOC3)CC2)[nH+]1 ZINC000127378411 365744637 /nfs/dbraw/zinc/74/46/37/365744637.db2.gz WAAASZUYSYJXPN-UHFFFAOYSA-N 2 1 287.407 2.295 20 0 CEADMP Cc1[nH+]ccn1CCCNc1nc(C)nc2[nH]ccc21 ZINC000081004556 344033703 /nfs/dbraw/zinc/03/37/03/344033703.db2.gz IIAKNDSFEBSBHP-UHFFFAOYSA-N 2 1 270.340 2.273 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC(c2ccccc2)CC1)C1CC1 ZINC000351335088 219091055 /nfs/dbraw/zinc/09/10/55/219091055.db2.gz GCIBFJRGSFKQDR-SFHVURJKSA-N 2 1 288.435 2.321 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC(c2ccccc2)CC1)C1CC1 ZINC000351335088 219091058 /nfs/dbraw/zinc/09/10/58/219091058.db2.gz GCIBFJRGSFKQDR-SFHVURJKSA-N 2 1 288.435 2.321 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1)C(C)C ZINC000126863885 187266667 /nfs/dbraw/zinc/26/66/67/187266667.db2.gz WBCAGAIKZBKWNS-MRXNPFEDSA-N 2 1 289.423 2.009 20 0 CEADMP C[C@@H]([NH2+]Cc1cccnc1N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000295038890 199314544 /nfs/dbraw/zinc/31/45/44/199314544.db2.gz SOPORNODKPGQMI-UKRRQHHQSA-N 2 1 288.439 2.406 20 0 CEADMP C[C@@H]([NH2+]Cc1cccnc1N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000295038890 199314545 /nfs/dbraw/zinc/31/45/45/199314545.db2.gz SOPORNODKPGQMI-UKRRQHHQSA-N 2 1 288.439 2.406 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000336718262 365781886 /nfs/dbraw/zinc/78/18/86/365781886.db2.gz RKABHSMJDBLFNZ-GBESFXJTSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000336718262 365781896 /nfs/dbraw/zinc/78/18/96/365781896.db2.gz RKABHSMJDBLFNZ-GBESFXJTSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000336718262 365781907 /nfs/dbraw/zinc/78/19/07/365781907.db2.gz RKABHSMJDBLFNZ-GBESFXJTSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000336718262 365781915 /nfs/dbraw/zinc/78/19/15/365781915.db2.gz RKABHSMJDBLFNZ-GBESFXJTSA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000336718262 365781920 /nfs/dbraw/zinc/78/19/20/365781920.db2.gz RKABHSMJDBLFNZ-GBESFXJTSA-N 2 1 299.462 2.477 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000126868993 187266771 /nfs/dbraw/zinc/26/67/71/187266771.db2.gz CDCSQYKDBMZGGO-DOMZBBRYSA-N 2 1 255.365 2.404 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000336731973 365791012 /nfs/dbraw/zinc/79/10/12/365791012.db2.gz RTELZLNBGHWIPX-GFCCVEGCSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCOC(C)(C)[C@H]1C ZINC000336731973 365791014 /nfs/dbraw/zinc/79/10/14/365791014.db2.gz RTELZLNBGHWIPX-GFCCVEGCSA-N 2 1 251.374 2.081 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)OCC1CC1 ZINC000414505911 529799977 /nfs/dbraw/zinc/79/99/77/529799977.db2.gz RPARTAXFRMSPIQ-UHFFFAOYSA-N 2 1 277.412 2.442 20 0 CEADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351473612 219099783 /nfs/dbraw/zinc/09/97/83/219099783.db2.gz DMSGNBPXZJLZQR-FAAHXZRKSA-N 2 1 298.390 2.467 20 0 CEADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351473612 219099785 /nfs/dbraw/zinc/09/97/85/219099785.db2.gz DMSGNBPXZJLZQR-FAAHXZRKSA-N 2 1 298.390 2.467 20 0 CEADMP COc1ccc(OCCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000351478952 219100631 /nfs/dbraw/zinc/10/06/31/219100631.db2.gz QCOGEYFCWYGRTR-XKQJLSEDSA-N 2 1 290.407 2.133 20 0 CEADMP C[C@H]1C[C@@H](NCCC[NH+]2CCC(C)CC2)C[N@H+]1C1CC1 ZINC000128593338 365798151 /nfs/dbraw/zinc/79/81/51/365798151.db2.gz MDGOXKQJPFCDFA-JKSUJKDBSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000128584728 365797867 /nfs/dbraw/zinc/79/78/67/365797867.db2.gz SVLHMQFNXJQYIH-ZFWWWQNUSA-N 2 1 265.445 2.076 20 0 CEADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000622651361 349872602 /nfs/dbraw/zinc/87/26/02/349872602.db2.gz CIAVVNXHZFPOPL-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000622651361 349872603 /nfs/dbraw/zinc/87/26/03/349872603.db2.gz CIAVVNXHZFPOPL-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@@H+](CCCOc1cccc(Cl)c1)CCOCC[NH3+] ZINC000357086379 529895786 /nfs/dbraw/zinc/89/57/86/529895786.db2.gz LSELNJGDPWTTPU-UHFFFAOYSA-N 2 1 286.803 2.016 20 0 CEADMP COCCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081633929 344060278 /nfs/dbraw/zinc/06/02/78/344060278.db2.gz ADAMBNGFXZFTLO-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP COCCCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081633929 344060280 /nfs/dbraw/zinc/06/02/80/344060280.db2.gz ADAMBNGFXZFTLO-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP COCCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633929 344060282 /nfs/dbraw/zinc/06/02/82/344060282.db2.gz ADAMBNGFXZFTLO-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP C[NH+](C)[C@@H](CNc1cc(NCC2CC2)[nH+]cn1)C1CC1 ZINC000091481602 344164874 /nfs/dbraw/zinc/16/48/74/344164874.db2.gz YUGALNKXOZEUIK-ZDUSSCGKSA-N 2 1 275.400 2.051 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(Cl)cn1 ZINC000090409225 344139134 /nfs/dbraw/zinc/13/91/34/344139134.db2.gz ZNVGZVNDIVHYFW-YPMHNXCESA-N 2 1 283.803 2.044 20 0 CEADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351593764 219137961 /nfs/dbraw/zinc/13/79/61/219137961.db2.gz OTPOCPNHPBVOGR-FVQBIDKESA-N 2 1 268.445 2.390 20 0 CEADMP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351593764 219137962 /nfs/dbraw/zinc/13/79/62/219137962.db2.gz OTPOCPNHPBVOGR-FVQBIDKESA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000129096698 344340807 /nfs/dbraw/zinc/34/08/07/344340807.db2.gz ZUOGVAJDYNZZPH-VXGBXAGGSA-N 2 1 295.814 2.480 20 0 CEADMP c1nc2ccc(C[NH2+]CCC[NH+]3CCCC3)cc2[nH]1 ZINC000134522598 344374942 /nfs/dbraw/zinc/37/49/42/344374942.db2.gz ZXEBUDCFFDLJPG-UHFFFAOYSA-N 2 1 258.369 2.138 20 0 CEADMP C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000151007604 344419384 /nfs/dbraw/zinc/41/93/84/344419384.db2.gz MWNWRXJEAJFASL-CYBMUJFWSA-N 2 1 284.444 2.380 20 0 CEADMP COC[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351601861 219141482 /nfs/dbraw/zinc/14/14/82/219141482.db2.gz XAYBBTLIHRTPBO-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351601861 219141485 /nfs/dbraw/zinc/14/14/85/219141485.db2.gz XAYBBTLIHRTPBO-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351601861 219141488 /nfs/dbraw/zinc/14/14/88/219141488.db2.gz XAYBBTLIHRTPBO-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000234744838 344587015 /nfs/dbraw/zinc/58/70/15/344587015.db2.gz GYUPOSCWFZYMFH-HNNXBMFYSA-N 2 1 274.408 2.191 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1CC(=O)OC ZINC000259917944 344651326 /nfs/dbraw/zinc/65/13/26/344651326.db2.gz FDQBGQCNZXNATF-CQSZACIVSA-N 2 1 270.417 2.136 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1CC(=O)OC ZINC000259917944 344651328 /nfs/dbraw/zinc/65/13/28/344651328.db2.gz FDQBGQCNZXNATF-CQSZACIVSA-N 2 1 270.417 2.136 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000261595985 344653344 /nfs/dbraw/zinc/65/33/44/344653344.db2.gz JMZFLEVPAIKDSQ-SQWLQELKSA-N 2 1 291.439 2.169 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cccc(C(=O)OC)c2)CC[C@H]1[NH3+] ZINC000251727413 344637333 /nfs/dbraw/zinc/63/73/33/344637333.db2.gz KGDXLKNYMLVEQZ-UKRRQHHQSA-N 2 1 276.380 2.032 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)OC)c2)CC[C@H]1[NH3+] ZINC000251727413 344637336 /nfs/dbraw/zinc/63/73/36/344637336.db2.gz KGDXLKNYMLVEQZ-UKRRQHHQSA-N 2 1 276.380 2.032 20 0 CEADMP COC(=O)c1csc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000602516565 347064792 /nfs/dbraw/zinc/06/47/92/347064792.db2.gz NNRMQYCQDCOXMK-CHWSQXEVSA-N 2 1 294.420 2.251 20 0 CEADMP COC(=O)c1csc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000602516565 347064794 /nfs/dbraw/zinc/06/47/94/347064794.db2.gz NNRMQYCQDCOXMK-CHWSQXEVSA-N 2 1 294.420 2.251 20 0 CEADMP COC1(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)CCCCC1 ZINC000319744863 344750839 /nfs/dbraw/zinc/75/08/39/344750839.db2.gz WQPLXCADEYKFSM-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@@H]1CCCC[C@H]1O ZINC000328226338 344754905 /nfs/dbraw/zinc/75/49/05/344754905.db2.gz APPZCCXHKOILSE-DLBZAZTESA-N 2 1 276.424 2.389 20 0 CEADMP COC(=O)c1csc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000602558482 347076797 /nfs/dbraw/zinc/07/67/97/347076797.db2.gz BJCWGWSLCNPVEG-ZYHUDNBSSA-N 2 1 282.409 2.107 20 0 CEADMP COC(=O)c1csc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000602558482 347076801 /nfs/dbraw/zinc/07/68/01/347076801.db2.gz BJCWGWSLCNPVEG-ZYHUDNBSSA-N 2 1 282.409 2.107 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(C)(C)OC)C1 ZINC000336784492 365802900 /nfs/dbraw/zinc/80/29/00/365802900.db2.gz QKORBSCKHZTQLZ-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(C)(C)OC)C1 ZINC000336784492 365802902 /nfs/dbraw/zinc/80/29/02/365802902.db2.gz QKORBSCKHZTQLZ-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(C)(C)OC)C1 ZINC000336784492 365802906 /nfs/dbraw/zinc/80/29/06/365802906.db2.gz QKORBSCKHZTQLZ-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccn1 ZINC000584665723 344975825 /nfs/dbraw/zinc/97/58/25/344975825.db2.gz YCYRLJIRJJXHNF-ZIAGYGMSSA-N 2 1 277.412 2.473 20 0 CEADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000584718923 344979765 /nfs/dbraw/zinc/97/97/65/344979765.db2.gz BBOHEYDNVFMBJX-GJZGRUSLSA-N 2 1 283.460 2.081 20 0 CEADMP COC(=O)c1ccc(Cl)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000591278438 345236946 /nfs/dbraw/zinc/23/69/46/345236946.db2.gz AKPJYMBTRHDNAP-CYBMUJFWSA-N 2 1 296.798 2.358 20 0 CEADMP C[C@@H]([NH2+]Cc1cn[nH]c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679721303 539451854 /nfs/dbraw/zinc/45/18/54/539451854.db2.gz LQIHKPRXPYYCCO-OCCSQVGLSA-N 2 1 262.401 2.152 20 0 CEADMP C[C@@H]([NH2+]Cc1cn[nH]c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679721303 539451858 /nfs/dbraw/zinc/45/18/58/539451858.db2.gz LQIHKPRXPYYCCO-OCCSQVGLSA-N 2 1 262.401 2.152 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592433620 345352599 /nfs/dbraw/zinc/35/25/99/345352599.db2.gz MIUAODTYTFXXKM-LSDHHAIUSA-N 2 1 296.455 2.287 20 0 CEADMP CCc1cccc(F)c1C[NH2+]CCc1c[nH+]cn1C ZINC000623085768 349933557 /nfs/dbraw/zinc/93/35/57/349933557.db2.gz DLYLBELNPVGNCF-UHFFFAOYSA-N 2 1 261.344 2.454 20 0 CEADMP CSCCCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594501860 345639039 /nfs/dbraw/zinc/63/90/39/345639039.db2.gz UTSLCXSTHCJPNQ-OAHLLOKOSA-N 2 1 286.485 2.363 20 0 CEADMP COC(=O)c1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)o1 ZINC000594605558 345658781 /nfs/dbraw/zinc/65/87/81/345658781.db2.gz ASRLKSNKIYOSMZ-ZDUSSCGKSA-N 2 1 294.395 2.196 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000594514308 345641578 /nfs/dbraw/zinc/64/15/78/345641578.db2.gz NSXISRJMHGRAKN-IHRRRGAJSA-N 2 1 284.444 2.284 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000594917861 345701275 /nfs/dbraw/zinc/70/12/75/345701275.db2.gz KZOIIOXJCPPJSF-BYNSBNAKSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000594923949 345703508 /nfs/dbraw/zinc/70/35/08/345703508.db2.gz HBBPRTZRNHZGRW-KLHDSHLOSA-N 2 1 296.455 2.428 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594976336 345720725 /nfs/dbraw/zinc/72/07/25/345720725.db2.gz ABYINKLYPPPQAT-RRCSTGOVSA-N 2 1 294.439 2.181 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000594976336 345720726 /nfs/dbraw/zinc/72/07/26/345720726.db2.gz ABYINKLYPPPQAT-RRCSTGOVSA-N 2 1 294.439 2.181 20 0 CEADMP COC(=O)c1coc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000596652811 346072116 /nfs/dbraw/zinc/07/21/16/346072116.db2.gz ICXLVGCDBYXFOF-ZYHUDNBSSA-N 2 1 268.357 2.090 20 0 CEADMP COC1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000680333111 539523934 /nfs/dbraw/zinc/52/39/34/539523934.db2.gz VRZQLXYPLMLRSN-PREGVCBESA-N 2 1 296.455 2.177 20 0 CEADMP CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000597240781 346159179 /nfs/dbraw/zinc/15/91/79/346159179.db2.gz RAGCQZYZZCJSOH-WBVHZDCISA-N 2 1 294.439 2.325 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)C(C)(C)C)CC1 ZINC000336788832 365809622 /nfs/dbraw/zinc/80/96/22/365809622.db2.gz RBQPWNSGPHVSHT-CQSZACIVSA-N 2 1 256.434 2.200 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC000062038278 362703384 /nfs/dbraw/zinc/70/33/84/362703384.db2.gz UOOLUSGQZNNZGN-GFCCVEGCSA-N 2 1 250.361 2.441 20 0 CEADMP Cc1ccc(C(C)(C)[NH2+]CCc2c[nH+]cn2C)cn1 ZINC000459404328 290138505 /nfs/dbraw/zinc/13/85/05/290138505.db2.gz QPUUZJVQXWQCLG-UHFFFAOYSA-N 2 1 258.369 2.191 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1(C(=O)OC)CCC1 ZINC000599071668 346455970 /nfs/dbraw/zinc/45/59/70/346455970.db2.gz SDUTUXPZWBVQAB-LSDHHAIUSA-N 2 1 296.455 2.430 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000063194731 362758724 /nfs/dbraw/zinc/75/87/24/362758724.db2.gz UPVMKZPKDMINHB-IUODEOHRSA-N 2 1 293.386 2.356 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000063194731 362758731 /nfs/dbraw/zinc/75/87/31/362758731.db2.gz UPVMKZPKDMINHB-IUODEOHRSA-N 2 1 293.386 2.356 20 0 CEADMP COC(=O)[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]2CCC[C@H]21 ZINC000599654078 346556087 /nfs/dbraw/zinc/55/60/87/346556087.db2.gz LKJBZMXWVUWKQO-CAOSSQGBSA-N 2 1 294.439 2.134 20 0 CEADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H]2CCC[C@H]21 ZINC000599654078 346556090 /nfs/dbraw/zinc/55/60/90/346556090.db2.gz LKJBZMXWVUWKQO-CAOSSQGBSA-N 2 1 294.439 2.134 20 0 CEADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H]2CCC[C@H]21 ZINC000599654078 346556094 /nfs/dbraw/zinc/55/60/94/346556094.db2.gz LKJBZMXWVUWKQO-CAOSSQGBSA-N 2 1 294.439 2.134 20 0 CEADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600143705 346604668 /nfs/dbraw/zinc/60/46/68/346604668.db2.gz FSDSKJHYAJBDBL-FRRDWIJNSA-N 2 1 270.417 2.037 20 0 CEADMP COC(=O)CC1CCC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000600160913 346609885 /nfs/dbraw/zinc/60/98/85/346609885.db2.gz JYZHVAQAOIKSFW-HWOWSKLDSA-N 2 1 296.455 2.428 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459450351 290152191 /nfs/dbraw/zinc/15/21/91/290152191.db2.gz VYPXUDCZRQHONQ-INIZCTEOSA-N 2 1 268.445 2.390 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CCC(C)(C)CC1 ZINC000336813350 365853392 /nfs/dbraw/zinc/85/33/92/365853392.db2.gz UJNLJVGOECWXDW-HNNXBMFYSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CCC(C)(C)CC1 ZINC000336813350 365853394 /nfs/dbraw/zinc/85/33/94/365853394.db2.gz UJNLJVGOECWXDW-HNNXBMFYSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)C1CCC(C)(C)CC1)C1CC1 ZINC000336813350 365853399 /nfs/dbraw/zinc/85/33/99/365853399.db2.gz UJNLJVGOECWXDW-HNNXBMFYSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CCC(C)(C)CC1)C1CC1 ZINC000336813350 365853400 /nfs/dbraw/zinc/85/34/00/365853400.db2.gz UJNLJVGOECWXDW-HNNXBMFYSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](N)c1ccccc1 ZINC000236911232 370652153 /nfs/dbraw/zinc/65/21/53/370652153.db2.gz FZTVQTCYGUBJIG-CVEARBPZSA-N 2 1 289.423 2.067 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000236911232 370652161 /nfs/dbraw/zinc/65/21/61/370652161.db2.gz FZTVQTCYGUBJIG-CVEARBPZSA-N 2 1 289.423 2.067 20 0 CEADMP COC(=O)c1csc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000602675213 347136951 /nfs/dbraw/zinc/13/69/51/347136951.db2.gz ZFSZGJSURMZXNH-OAHLLOKOSA-N 2 1 294.420 2.062 20 0 CEADMP CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000568310110 299137356 /nfs/dbraw/zinc/13/73/56/299137356.db2.gz KMBZGGZGJLDPTB-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nn1C ZINC000336822199 365873786 /nfs/dbraw/zinc/87/37/86/365873786.db2.gz KSIMDTDSIBOYCB-UHFFFAOYSA-N 2 1 276.428 2.036 20 0 CEADMP CSCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846466 347222504 /nfs/dbraw/zinc/22/25/04/347222504.db2.gz QHIQUAGCZXIFNY-UHFFFAOYSA-N 2 1 265.426 2.347 20 0 CEADMP COC(=O)CCC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110676 347288891 /nfs/dbraw/zinc/28/88/91/347288891.db2.gz OTNQJYZAVCQYAB-UHFFFAOYSA-N 2 1 270.417 2.138 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2c(C)csc2=O)C[C@@H]1C ZINC000336823561 365878148 /nfs/dbraw/zinc/87/81/48/365878148.db2.gz QEFQAZGSUYPKBU-GXTWGEPZSA-N 2 1 297.468 2.023 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2c(C)csc2=O)C[C@@H]1C ZINC000336823561 365878153 /nfs/dbraw/zinc/87/81/53/365878153.db2.gz QEFQAZGSUYPKBU-GXTWGEPZSA-N 2 1 297.468 2.023 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2c(C)csc2=O)C[C@@H]1C ZINC000336823561 365878157 /nfs/dbraw/zinc/87/81/57/365878157.db2.gz QEFQAZGSUYPKBU-GXTWGEPZSA-N 2 1 297.468 2.023 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2c(C)csc2=O)C[C@@H]1C ZINC000336823561 365878161 /nfs/dbraw/zinc/87/81/61/365878161.db2.gz QEFQAZGSUYPKBU-GXTWGEPZSA-N 2 1 297.468 2.023 20 0 CEADMP C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC[C@H]1CCCO1 ZINC000607358712 347517232 /nfs/dbraw/zinc/51/72/32/347517232.db2.gz GUBNLSWQZNTHPM-IAGOWNOFSA-N 2 1 296.455 2.132 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC[C@H]1CCCO1 ZINC000607358712 347517235 /nfs/dbraw/zinc/51/72/35/347517235.db2.gz GUBNLSWQZNTHPM-IAGOWNOFSA-N 2 1 296.455 2.132 20 0 CEADMP C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC[C@H]1CCCO1 ZINC000607358711 347517241 /nfs/dbraw/zinc/51/72/41/347517241.db2.gz GUBNLSWQZNTHPM-DLBZAZTESA-N 2 1 296.455 2.132 20 0 CEADMP C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC[C@H]1CCCO1 ZINC000607358711 347517244 /nfs/dbraw/zinc/51/72/44/347517244.db2.gz GUBNLSWQZNTHPM-DLBZAZTESA-N 2 1 296.455 2.132 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCn2cnc3ccccc32)CC[N@H+]1C ZINC000129790831 365894720 /nfs/dbraw/zinc/89/47/20/365894720.db2.gz IEJJZGQUDXLIMX-HUUCEWRRSA-N 2 1 286.423 2.499 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000351850160 219224939 /nfs/dbraw/zinc/22/49/39/219224939.db2.gz HZPSSRGHSAOIPS-RYUDHWBXSA-N 2 1 295.814 2.338 20 0 CEADMP CC(C)[C@@H](Cn1cccn1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000336833296 365900728 /nfs/dbraw/zinc/90/07/28/365900728.db2.gz YAJADXUUFXWJHO-OAHLLOKOSA-N 2 1 278.444 2.372 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000351853587 219226429 /nfs/dbraw/zinc/22/64/29/219226429.db2.gz PFHZGWVINSYKTR-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000351853587 219226431 /nfs/dbraw/zinc/22/64/31/219226431.db2.gz PFHZGWVINSYKTR-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP Cc1noc(C)c1CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336836167 365906616 /nfs/dbraw/zinc/90/66/16/365906616.db2.gz BPINXHYHGUQIKB-INIZCTEOSA-N 2 1 291.439 2.498 20 0 CEADMP Cc1noc(C)c1CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336836167 365906623 /nfs/dbraw/zinc/90/66/23/365906623.db2.gz BPINXHYHGUQIKB-INIZCTEOSA-N 2 1 291.439 2.498 20 0 CEADMP Cc1noc(C)c1CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336836167 365906631 /nfs/dbraw/zinc/90/66/31/365906631.db2.gz BPINXHYHGUQIKB-INIZCTEOSA-N 2 1 291.439 2.498 20 0 CEADMP Cc1noc(C)c1CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336836167 365906636 /nfs/dbraw/zinc/90/66/36/365906636.db2.gz BPINXHYHGUQIKB-INIZCTEOSA-N 2 1 291.439 2.498 20 0 CEADMP Cc1cc(C)n(CC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000336841908 365914706 /nfs/dbraw/zinc/91/47/06/365914706.db2.gz QLVFHYAACVYBHQ-QGZVFWFLSA-N 2 1 290.455 2.164 20 0 CEADMP Cc1cc(C)n(CC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000336841908 365914712 /nfs/dbraw/zinc/91/47/12/365914712.db2.gz QLVFHYAACVYBHQ-QGZVFWFLSA-N 2 1 290.455 2.164 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)n1 ZINC000336841908 365914718 /nfs/dbraw/zinc/91/47/18/365914718.db2.gz QLVFHYAACVYBHQ-QGZVFWFLSA-N 2 1 290.455 2.164 20 0 CEADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)n1 ZINC000336841908 365914723 /nfs/dbraw/zinc/91/47/23/365914723.db2.gz QLVFHYAACVYBHQ-QGZVFWFLSA-N 2 1 290.455 2.164 20 0 CEADMP Cc1nccn1CCC[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000336886103 365934435 /nfs/dbraw/zinc/93/44/35/365934435.db2.gz BNOHSHSKTIERDS-GJZGRUSLSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000336886103 365934440 /nfs/dbraw/zinc/93/44/40/365934440.db2.gz BNOHSHSKTIERDS-GJZGRUSLSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000336886103 365934445 /nfs/dbraw/zinc/93/44/45/365934445.db2.gz BNOHSHSKTIERDS-GJZGRUSLSA-N 2 1 265.401 2.065 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CC1CCCC1 ZINC000232133826 539593009 /nfs/dbraw/zinc/59/30/09/539593009.db2.gz FOULAOXSRUCORI-XHSDSOJGSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000130344679 365947380 /nfs/dbraw/zinc/94/73/80/365947380.db2.gz VUXWLPSUECGSGZ-NHYWBVRUSA-N 2 1 268.351 2.437 20 0 CEADMP C[N@H+](CCCn1ccnc1)Cc1nc(-c2ccccc2)no1 ZINC000130364569 365948587 /nfs/dbraw/zinc/94/85/87/365948587.db2.gz SENSGGRYWGRQKD-UHFFFAOYSA-N 2 1 297.362 2.455 20 0 CEADMP C[N@@H+](CCCn1ccnc1)Cc1nc(-c2ccccc2)no1 ZINC000130364569 365948594 /nfs/dbraw/zinc/94/85/94/365948594.db2.gz SENSGGRYWGRQKD-UHFFFAOYSA-N 2 1 297.362 2.455 20 0 CEADMP Cc1ccc(CCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000339407518 215152920 /nfs/dbraw/zinc/15/29/20/215152920.db2.gz OJCNGNNPXVYMFW-GVDBMIGSSA-N 2 1 273.424 2.382 20 0 CEADMP COc1c(C)c[nH+]c(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)c1C ZINC000351960704 219267287 /nfs/dbraw/zinc/26/72/87/219267287.db2.gz VWRSORSXQATDTJ-STQMWFEESA-N 2 1 277.412 2.231 20 0 CEADMP COc1c(C)c[nH+]c(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1C ZINC000351960704 219267290 /nfs/dbraw/zinc/26/72/90/219267290.db2.gz VWRSORSXQATDTJ-STQMWFEESA-N 2 1 277.412 2.231 20 0 CEADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCOCC[NH3+])c1 ZINC000357094552 233006077 /nfs/dbraw/zinc/00/60/77/233006077.db2.gz YWHFQZWYEYYDTO-AWEZNQCLSA-N 2 1 250.386 2.272 20 0 CEADMP CNC(=O)c1cccc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623347217 349994719 /nfs/dbraw/zinc/99/47/19/349994719.db2.gz SHMJRJMHAUIPBH-OAHLLOKOSA-N 2 1 289.423 2.009 20 0 CEADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623347217 349994723 /nfs/dbraw/zinc/99/47/23/349994723.db2.gz SHMJRJMHAUIPBH-OAHLLOKOSA-N 2 1 289.423 2.009 20 0 CEADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623347217 349994725 /nfs/dbraw/zinc/99/47/25/349994725.db2.gz SHMJRJMHAUIPBH-OAHLLOKOSA-N 2 1 289.423 2.009 20 0 CEADMP CC[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCCC1 ZINC000623354748 349996434 /nfs/dbraw/zinc/99/64/34/349996434.db2.gz FBEBWWKHJLIMST-HUUCEWRRSA-N 2 1 267.461 2.323 20 0 CEADMP c1[nH]nc2cccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)c12 ZINC000623356248 349997780 /nfs/dbraw/zinc/99/77/80/349997780.db2.gz FUECSUXWYWNMGT-LBPRGKRZSA-N 2 1 270.380 2.137 20 0 CEADMP C[C@@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCCCCC1 ZINC000617013644 348612798 /nfs/dbraw/zinc/61/27/98/348612798.db2.gz YEWWHVNOKCYOLD-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+](CC)CC ZINC000617013423 348613007 /nfs/dbraw/zinc/61/30/07/348613007.db2.gz UCDALPIYLUZDON-UONOGXRCSA-N 2 1 283.460 2.096 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339075599 539658492 /nfs/dbraw/zinc/65/84/92/539658492.db2.gz PRXLKULUYORYKI-SJORKVTESA-N 3 1 279.472 2.325 20 0 CEADMP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCC[C@@H]4OCC[C@H]43)CC[N@H+]2C1 ZINC000339069411 539658786 /nfs/dbraw/zinc/65/87/86/539658786.db2.gz VGWLBMGIJPWGFQ-OWYFMNJBSA-N 2 1 264.413 2.160 20 0 CEADMP Cc1cc(NC(=O)CCc2cnc[nH]2)ccc1C[NH+](C)C ZINC000458263772 539672883 /nfs/dbraw/zinc/67/28/83/539672883.db2.gz LLTHUSSFSPBDHV-UHFFFAOYSA-N 2 1 286.379 2.351 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000618991086 349088811 /nfs/dbraw/zinc/08/88/11/349088811.db2.gz SCQHVBVNQNPFHW-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000620623987 349407369 /nfs/dbraw/zinc/40/73/69/349407369.db2.gz KOGJHWXJMMVUFJ-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP CCC(CC)[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623413696 350013770 /nfs/dbraw/zinc/01/37/70/350013770.db2.gz DMNPMZQGMMYHEP-KBPBESRZSA-N 2 1 256.434 2.246 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)CCOCC2)CC1(C)C ZINC000623443249 350022132 /nfs/dbraw/zinc/02/21/32/350022132.db2.gz WJPWILCAADKJEN-CYBMUJFWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H](O)Cc1ccccc1 ZINC000623469961 350027944 /nfs/dbraw/zinc/02/79/44/350027944.db2.gz YARKURNCTDDBQS-XIRDDKMYSA-N 2 1 290.451 2.441 20 0 CEADMP COCc1ccc(CNC[C@H]2CCCC[N@@H+](C)C2)o1 ZINC000623656241 350076055 /nfs/dbraw/zinc/07/60/55/350076055.db2.gz PVJQJWPCMOHHMQ-CYBMUJFWSA-N 2 1 266.385 2.248 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657553 350077490 /nfs/dbraw/zinc/07/74/90/350077490.db2.gz UHCVPQOOJWQOCB-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657553 350077492 /nfs/dbraw/zinc/07/74/92/350077492.db2.gz UHCVPQOOJWQOCB-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CCC(O)(CC)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623504977 350036598 /nfs/dbraw/zinc/03/65/98/350036598.db2.gz IFFFPFNMMHINAZ-ZDUSSCGKSA-N 2 1 256.434 2.390 20 0 CEADMP C[NH+]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1(C)C ZINC000623547236 350047595 /nfs/dbraw/zinc/04/75/95/350047595.db2.gz JKLBSKMCIBJTBU-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623547236 350047597 /nfs/dbraw/zinc/04/75/97/350047597.db2.gz JKLBSKMCIBJTBU-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623547236 350047598 /nfs/dbraw/zinc/04/75/98/350047598.db2.gz JKLBSKMCIBJTBU-HUUCEWRRSA-N 3 1 267.461 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1(C)C ZINC000623547236 350047601 /nfs/dbraw/zinc/04/76/01/350047601.db2.gz JKLBSKMCIBJTBU-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC000623547236 350047602 /nfs/dbraw/zinc/04/76/02/350047602.db2.gz JKLBSKMCIBJTBU-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)CC1(C)C ZINC000623550422 350047899 /nfs/dbraw/zinc/04/78/99/350047899.db2.gz NPJFVVHCUPQCBF-HOCLYGCPSA-N 2 1 294.414 2.364 20 0 CEADMP COC1([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCOCC1 ZINC000623553486 350049004 /nfs/dbraw/zinc/04/90/04/350049004.db2.gz XDVSZTCYARZYQH-ZIAGYGMSSA-N 2 1 284.444 2.033 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C(C)(C)C)CC1(C)C ZINC000623562326 350051661 /nfs/dbraw/zinc/05/16/61/350051661.db2.gz OPGPZDFOFRHSAL-KBPBESRZSA-N 2 1 267.461 2.322 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C(C)(C)C)CC1(C)C ZINC000623562326 350051672 /nfs/dbraw/zinc/05/16/72/350051672.db2.gz OPGPZDFOFRHSAL-KBPBESRZSA-N 2 1 267.461 2.322 20 0 CEADMP CCC[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)OCC ZINC000623598905 350060860 /nfs/dbraw/zinc/06/08/60/350060860.db2.gz QXLLAJOXSOIUKT-CQSZACIVSA-N 2 1 265.401 2.442 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCN2CC(F)F)CC1(C)C ZINC000623624306 350068723 /nfs/dbraw/zinc/06/87/23/350068723.db2.gz BGQYUHOAQCBGSA-OLZOCXBDSA-N 2 1 289.414 2.178 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@](C)(O)c2ccc(F)cc2)[C@H](C)C1 ZINC000090890908 180053599 /nfs/dbraw/zinc/05/35/99/180053599.db2.gz OWFRGCZRGXSJSV-XYPHTWIQSA-N 2 1 294.414 2.353 20 0 CEADMP C(C[NH+]1CCC([NH+]2CCCCC2)CC1)C1OCCCO1 ZINC000091465541 180163736 /nfs/dbraw/zinc/16/37/36/180163736.db2.gz OXULOYRFHQIDME-UHFFFAOYSA-N 2 1 282.428 2.090 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000624121615 350199717 /nfs/dbraw/zinc/19/97/17/350199717.db2.gz YYVICEAXUULENJ-KFWWJZLASA-N 2 1 254.418 2.123 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)ccn1 ZINC000624123356 350200704 /nfs/dbraw/zinc/20/07/04/350200704.db2.gz KNOFRDOUIXUKFM-KGLIPLIRSA-N 2 1 277.412 2.473 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccn1 ZINC000624123356 350200709 /nfs/dbraw/zinc/20/07/09/350200709.db2.gz KNOFRDOUIXUKFM-KGLIPLIRSA-N 2 1 277.412 2.473 20 0 CEADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123635 350201008 /nfs/dbraw/zinc/20/10/08/350201008.db2.gz PQTZNXYGCXEZIP-JKSUJKDBSA-N 2 1 278.444 2.229 20 0 CEADMP CC(C)CC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666400 180222433 /nfs/dbraw/zinc/22/24/33/180222433.db2.gz YDJGSABANQEUOU-ZNMIVQPWSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)CC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666400 180222435 /nfs/dbraw/zinc/22/24/35/180222435.db2.gz YDJGSABANQEUOU-ZNMIVQPWSA-N 2 1 254.418 2.264 20 0 CEADMP CCCCN1CCCC[C@@H]1C[NH2+]Cc1cncn1C ZINC000105458290 186057716 /nfs/dbraw/zinc/05/77/16/186057716.db2.gz UCEJROQBSGIKBD-CQSZACIVSA-N 2 1 264.417 2.164 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000105480709 186060535 /nfs/dbraw/zinc/06/05/35/186060535.db2.gz NMSHNUJKYCKDSS-JSGCOSHPSA-N 2 1 278.396 2.134 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccccc1F)C1CCC([NH3+])CC1 ZINC000091847472 180271064 /nfs/dbraw/zinc/27/10/64/180271064.db2.gz SCGKUWUUYLFWKQ-UHFFFAOYSA-N 2 1 293.386 2.356 20 0 CEADMP C[N@H+](Cc1cccc2c[nH]nc21)C[C@H]1CCC[NH+](C)C1 ZINC000092253578 180353708 /nfs/dbraw/zinc/35/37/08/180353708.db2.gz FFDCWNPQWWIEIO-ZDUSSCGKSA-N 2 1 272.396 2.337 20 0 CEADMP C[NH+](Cc1cccc2c[nH]nc21)C[C@H]1CCC[N@H+](C)C1 ZINC000092253578 180353709 /nfs/dbraw/zinc/35/37/09/180353709.db2.gz FFDCWNPQWWIEIO-ZDUSSCGKSA-N 2 1 272.396 2.337 20 0 CEADMP C[NH+](Cc1cccc2c[nH]nc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253578 180353710 /nfs/dbraw/zinc/35/37/10/180353710.db2.gz FFDCWNPQWWIEIO-ZDUSSCGKSA-N 2 1 272.396 2.337 20 0 CEADMP CCO[C@@H](C[N@H+]1CC[C@H](C[NH+](CC)CC)C1)C1CC1 ZINC000625200677 350427696 /nfs/dbraw/zinc/42/76/96/350427696.db2.gz RTAPUDYNAJMAOO-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCOCC(F)(F)F)CC1 ZINC000109786136 186271900 /nfs/dbraw/zinc/27/19/00/186271900.db2.gz YMAOWMPLEQDWRG-UHFFFAOYSA-N 2 1 282.350 2.372 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)NC2CCCC2)CC1 ZINC000109788485 186271993 /nfs/dbraw/zinc/27/19/93/186271993.db2.gz LHOFEWKYUNPGJE-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@@H](O)C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062369 350645144 /nfs/dbraw/zinc/64/51/44/350645144.db2.gz PZJTZFFANTUISV-MRXNPFEDSA-N 2 1 264.413 2.341 20 0 CEADMP Cc1csc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000130936338 366006419 /nfs/dbraw/zinc/00/64/19/366006419.db2.gz LHNPTQYPRKKJIE-TUAOUCFPSA-N 2 1 251.399 2.011 20 0 CEADMP Cc1csc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000130936338 366006424 /nfs/dbraw/zinc/00/64/24/366006424.db2.gz LHNPTQYPRKKJIE-TUAOUCFPSA-N 2 1 251.399 2.011 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000569062657 299176319 /nfs/dbraw/zinc/17/63/19/299176319.db2.gz JGIHDYZLDOYOSG-INIZCTEOSA-N 2 1 270.380 2.489 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(F)c(F)c1 ZINC000629523623 351388881 /nfs/dbraw/zinc/38/88/81/351388881.db2.gz IZGUHBHKZRCHDG-JTQLQIEISA-N 2 1 270.323 2.123 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2CC)C12CCC2 ZINC000629527313 351391545 /nfs/dbraw/zinc/39/15/45/351391545.db2.gz RMZXNNDNEAIUNY-CRWXNKLISA-N 2 1 252.402 2.064 20 0 CEADMP COc1ccncc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000629537403 351399979 /nfs/dbraw/zinc/39/99/79/351399979.db2.gz IYCDKDXBYITARM-ZDUSSCGKSA-N 2 1 275.396 2.054 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cccc(-c3ccccn3)c2)CCOCC1 ZINC000629389524 351347394 /nfs/dbraw/zinc/34/73/94/351347394.db2.gz ZOOMEEMXVMMUTR-UHFFFAOYSA-N 2 1 297.402 2.346 20 0 CEADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629394666 351349598 /nfs/dbraw/zinc/34/95/98/351349598.db2.gz KJFJLOZCWVOWPT-VNHYZAJKSA-N 2 1 290.407 2.467 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@@H]1CCCC1(C)C)C1CC1 ZINC000629600624 351428486 /nfs/dbraw/zinc/42/84/86/351428486.db2.gz QADHYYJPOKVVKT-ZFWWWQNUSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@@H]1CCCC1(C)C)C1CC1 ZINC000629600624 351428489 /nfs/dbraw/zinc/42/84/89/351428489.db2.gz QADHYYJPOKVVKT-ZFWWWQNUSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)C[C@H](CN)[NH2+]CC1=Cc2ccccc2OC1 ZINC000629648336 351447152 /nfs/dbraw/zinc/44/71/52/351447152.db2.gz SQOOHUUZQZJBPK-OAHLLOKOSA-N 2 1 260.381 2.425 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+]CC1=Cc2ccccc2OC1 ZINC000629648336 351447155 /nfs/dbraw/zinc/44/71/55/351447155.db2.gz SQOOHUUZQZJBPK-OAHLLOKOSA-N 2 1 260.381 2.425 20 0 CEADMP C1=C(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)COCC1 ZINC000629650167 351448758 /nfs/dbraw/zinc/44/87/58/351448758.db2.gz PWMQTGBTQZIYDY-INIZCTEOSA-N 2 1 264.413 2.045 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc2cc(OC)ccc2o1 ZINC000629655010 351451791 /nfs/dbraw/zinc/45/17/91/351451791.db2.gz VPPGJKCDILATQG-UHFFFAOYSA-N 2 1 292.379 2.109 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1CCOc3ccccc31)C2 ZINC000629661695 351455369 /nfs/dbraw/zinc/45/53/69/351455369.db2.gz BKLOHMITHKLJOB-OLMNPRSZSA-N 2 1 286.419 2.484 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](CCc2cccnc2)CC[C@@H]1C(F)(F)F ZINC000629566648 351417762 /nfs/dbraw/zinc/41/77/62/351417762.db2.gz ZVXBAKRIDXTRQN-OLZOCXBDSA-N 2 1 287.329 2.083 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CCc2cccnc2)CC[C@@H]1C(F)(F)F ZINC000629566648 351417766 /nfs/dbraw/zinc/41/77/66/351417766.db2.gz ZVXBAKRIDXTRQN-OLZOCXBDSA-N 2 1 287.329 2.083 20 0 CEADMP O[C@@H](C[NH2+][C@H]1CCCc2c(F)cccc21)C[NH+]1CCCC1 ZINC000629579200 351420710 /nfs/dbraw/zinc/42/07/10/351420710.db2.gz BQCLCOFJUKBEGE-GUYCJALGSA-N 2 1 292.398 2.249 20 0 CEADMP COc1cccc(OCC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629592353 351425747 /nfs/dbraw/zinc/42/57/47/351425747.db2.gz AUNTZSOCSSAWLH-CALCHBBNSA-N 2 1 290.407 2.005 20 0 CEADMP COc1cccc(OCC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629592353 351425752 /nfs/dbraw/zinc/42/57/52/351425752.db2.gz AUNTZSOCSSAWLH-CALCHBBNSA-N 2 1 290.407 2.005 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000070170688 363043642 /nfs/dbraw/zinc/04/36/42/363043642.db2.gz CXNVEEZMKYGNCD-OAHLLOKOSA-N 2 1 284.407 2.433 20 0 CEADMP C[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291392338 198008553 /nfs/dbraw/zinc/00/85/53/198008553.db2.gz CQQSALZQQLTTAB-MRXNPFEDSA-N 2 1 288.435 2.355 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc(OC)c1 ZINC000070171944 363044471 /nfs/dbraw/zinc/04/44/71/363044471.db2.gz IBAFVLQHKQBRFE-TZMCWYRMSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000070171583 363045219 /nfs/dbraw/zinc/04/52/19/363045219.db2.gz XQCQEUNIROREPR-JSGCOSHPSA-N 2 1 276.380 2.017 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271434407 191135764 /nfs/dbraw/zinc/13/57/64/191135764.db2.gz DLUXAMQMPYLYHX-IJEWVQPXSA-N 2 1 262.397 2.010 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271434407 191135766 /nfs/dbraw/zinc/13/57/66/191135766.db2.gz DLUXAMQMPYLYHX-IJEWVQPXSA-N 2 1 262.397 2.010 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)C2CCC(C)CC2)C1 ZINC000070174025 363047448 /nfs/dbraw/zinc/04/74/48/363047448.db2.gz RUENDNHORKUMDA-FYRZTWFESA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)C2CCC(C)CC2)C1 ZINC000070174025 363047452 /nfs/dbraw/zinc/04/74/52/363047452.db2.gz RUENDNHORKUMDA-FYRZTWFESA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)ncn3C)CC[N@H+]1C ZINC000336497156 213370944 /nfs/dbraw/zinc/37/09/44/213370944.db2.gz HLCJOZXQUHEFTC-TZMCWYRMSA-N 2 1 272.396 2.146 20 0 CEADMP C[NH+](C)Cc1cnc(CNCCC[NH+]2CCCCC2)s1 ZINC000352257561 219384989 /nfs/dbraw/zinc/38/49/89/219384989.db2.gz VFAUQMXCFXYSBB-UHFFFAOYSA-N 2 1 296.484 2.170 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC000337201329 366072853 /nfs/dbraw/zinc/07/28/53/366072853.db2.gz CUEVUZGPGKNMEE-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CSCCC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000131658707 366074588 /nfs/dbraw/zinc/07/45/88/366074588.db2.gz XPFBNBBDIQWHCD-CYBMUJFWSA-N 2 1 252.383 2.288 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)F)cc1 ZINC000131681274 366077910 /nfs/dbraw/zinc/07/79/10/366077910.db2.gz QLMNEYRAAJEJOK-JQWIXIFHSA-N 2 1 270.323 2.457 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000630736969 351837534 /nfs/dbraw/zinc/83/75/34/351837534.db2.gz DFRPTTXSMXIRAM-YHUYYLMFSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000630736969 351837538 /nfs/dbraw/zinc/83/75/38/351837538.db2.gz DFRPTTXSMXIRAM-YHUYYLMFSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000630736969 351837540 /nfs/dbraw/zinc/83/75/40/351837540.db2.gz DFRPTTXSMXIRAM-YHUYYLMFSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H](COC)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000122808845 187053357 /nfs/dbraw/zinc/05/33/57/187053357.db2.gz OMVBWGDNMKYIRG-QGZVFWFLSA-N 2 1 276.424 2.449 20 0 CEADMP CC[C@H](COC)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000122808845 187053358 /nfs/dbraw/zinc/05/33/58/187053358.db2.gz OMVBWGDNMKYIRG-QGZVFWFLSA-N 2 1 276.424 2.449 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cnccn1 ZINC000123646175 187102626 /nfs/dbraw/zinc/10/26/26/187102626.db2.gz VIVNIOQEBFKZBB-CYBMUJFWSA-N 2 1 270.380 2.389 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)Cc2ccccc2)CC[N@@H+]1C ZINC000123734120 187106683 /nfs/dbraw/zinc/10/66/83/187106683.db2.gz NNDYUVWDXSRMSR-HYVNUMGLSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)Cc2ccccc2)CC[N@H+]1C ZINC000123734120 187106684 /nfs/dbraw/zinc/10/66/84/187106684.db2.gz NNDYUVWDXSRMSR-HYVNUMGLSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)Cc2ccccc2)CC[NH+]1C ZINC000123734120 187106685 /nfs/dbraw/zinc/10/66/85/187106685.db2.gz NNDYUVWDXSRMSR-HYVNUMGLSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)Cc2ccccc2)CC[NH+]1C ZINC000123734120 187106686 /nfs/dbraw/zinc/10/66/86/187106686.db2.gz NNDYUVWDXSRMSR-HYVNUMGLSA-N 2 1 276.424 2.005 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631055791 351941558 /nfs/dbraw/zinc/94/15/58/351941558.db2.gz GWSYMAWZQMXRBI-CQSZACIVSA-N 2 1 290.455 2.119 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631055791 351941561 /nfs/dbraw/zinc/94/15/61/351941561.db2.gz GWSYMAWZQMXRBI-CQSZACIVSA-N 2 1 290.455 2.119 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC[N@H+]1C ZINC000631144661 351984912 /nfs/dbraw/zinc/98/49/12/351984912.db2.gz PHSSWSRABPBQSZ-LVQVYYBASA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H](O)c1c(F)cccc1F ZINC000271473042 191158057 /nfs/dbraw/zinc/15/80/57/191158057.db2.gz JGOMQQJIPLDRCX-ZBFHGGJFSA-N 2 1 298.377 2.461 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1([NH3+])CCCC1 ZINC000237668244 539862378 /nfs/dbraw/zinc/86/23/78/539862378.db2.gz KNEQRUGQYTVIDM-CQSZACIVSA-N 2 1 281.444 2.029 20 0 CEADMP C[C@@H](C(=O)Nc1ccccc1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292084944 198157060 /nfs/dbraw/zinc/15/70/60/198157060.db2.gz GBWWFBSHBNDTHG-WMLDXEAASA-N 2 1 287.407 2.041 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@]1(C)CCO[C@H]1C ZINC000494251343 290964184 /nfs/dbraw/zinc/96/41/84/290964184.db2.gz PMZRCUPHROOKTL-GXTWGEPZSA-N 2 1 251.374 2.129 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cncc(F)c1 ZINC000152456631 188020552 /nfs/dbraw/zinc/02/05/52/188020552.db2.gz XDEYPJAASJDRPH-NWDGAFQWSA-N 2 1 263.360 2.356 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cncc(F)c1 ZINC000152456631 188020554 /nfs/dbraw/zinc/02/05/54/188020554.db2.gz XDEYPJAASJDRPH-NWDGAFQWSA-N 2 1 263.360 2.356 20 0 CEADMP CC1CCC(O)(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000156117552 539998998 /nfs/dbraw/zinc/99/89/98/539998998.db2.gz RXFOYGCIHPIVKB-LVDPKSTMSA-N 2 1 266.429 2.144 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000073555646 363229275 /nfs/dbraw/zinc/22/92/75/363229275.db2.gz RKGXUMHMWQKETK-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)[C@H]1C ZINC000495034667 291012189 /nfs/dbraw/zinc/01/21/89/291012189.db2.gz FJWDAAHALCQDCX-QLFBSQMISA-N 2 1 266.429 2.266 20 0 CEADMP CCCn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000132215046 366126598 /nfs/dbraw/zinc/12/65/98/366126598.db2.gz FDAGAUCOWBHUKA-UHFFFAOYSA-N 2 1 264.417 2.067 20 0 CEADMP CO[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000451542769 283027380 /nfs/dbraw/zinc/02/73/80/283027380.db2.gz KJPMACZHNUSAIM-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1C ZINC000451542769 283027381 /nfs/dbraw/zinc/02/73/81/283027381.db2.gz KJPMACZHNUSAIM-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1C ZINC000451542769 283027384 /nfs/dbraw/zinc/02/73/84/283027384.db2.gz KJPMACZHNUSAIM-SOUVJXGZSA-N 2 1 254.418 2.218 20 0 CEADMP CCO[C@H]1CC[N@H+](CCCn2cc[nH+]c2C)C[C@@H]1C ZINC000451547047 283030120 /nfs/dbraw/zinc/03/01/20/283030120.db2.gz SWDMUJVWXPAEIO-ZFWWWQNUSA-N 2 1 265.401 2.329 20 0 CEADMP CCO[C@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C[C@@H]1C ZINC000451547047 283030123 /nfs/dbraw/zinc/03/01/23/283030123.db2.gz SWDMUJVWXPAEIO-ZFWWWQNUSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451615241 283051687 /nfs/dbraw/zinc/05/16/87/283051687.db2.gz TWKZLRGGMDVQHY-DLBZAZTESA-N 2 1 291.439 2.358 20 0 CEADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCN2CCC2)C3)cc1 ZINC000569914337 299225407 /nfs/dbraw/zinc/22/54/07/299225407.db2.gz DNNOSRILZQSQPZ-REPLKXPHSA-N 2 1 299.462 2.477 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000381165984 540138866 /nfs/dbraw/zinc/13/88/66/540138866.db2.gz UIKXTDLZFNZRQE-QPSCCSFWSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000381165984 540138868 /nfs/dbraw/zinc/13/88/68/540138868.db2.gz UIKXTDLZFNZRQE-QPSCCSFWSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000381165984 540138869 /nfs/dbraw/zinc/13/88/69/540138869.db2.gz UIKXTDLZFNZRQE-QPSCCSFWSA-N 2 1 256.434 2.054 20 0 CEADMP CC1(C)C[C@@H](O)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000451808633 283111405 /nfs/dbraw/zinc/11/14/05/283111405.db2.gz JZXMUYJXYNCKNU-HNNXBMFYSA-N 2 1 268.445 2.345 20 0 CEADMP C(C[NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1)C[NH+]1CCC1 ZINC000569988091 299232414 /nfs/dbraw/zinc/23/24/14/299232414.db2.gz JLJOCNWQBUXZHS-PMPSAXMXSA-N 2 1 266.429 2.267 20 0 CEADMP C(C[NH2+][C@H]1CCC[C@H]([C@H]2CCOC2)C1)C[NH+]1CCC1 ZINC000569988089 299232442 /nfs/dbraw/zinc/23/24/42/299232442.db2.gz JLJOCNWQBUXZHS-JYJNAYRXSA-N 2 1 266.429 2.267 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC(=O)CC12CCC2 ZINC000570057219 299234532 /nfs/dbraw/zinc/23/45/32/299234532.db2.gz WHFFJRLLJSEPCM-CYBMUJFWSA-N 2 1 250.386 2.058 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451911486 283141507 /nfs/dbraw/zinc/14/15/07/283141507.db2.gz PNEBMYDESUTYMP-MRXNPFEDSA-N 2 1 266.429 2.365 20 0 CEADMP C[C@H]1C[C@H](CC[NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000273598947 192223670 /nfs/dbraw/zinc/22/36/70/192223670.db2.gz LMDDNQLHKKCPRL-UONOGXRCSA-N 2 1 277.412 2.442 20 0 CEADMP C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261930557 291093649 /nfs/dbraw/zinc/09/36/49/291093649.db2.gz LMMPYUFIUUZWSJ-BBRMVZONSA-N 2 1 259.397 2.464 20 0 CEADMP C1CC[NH+]([C@H]2CCC[N@H+]([C@H]3CCCOC3)CC2)C1 ZINC000674302400 540237609 /nfs/dbraw/zinc/23/76/09/540237609.db2.gz MPWNEWISMVEISP-GJZGRUSLSA-N 2 1 252.402 2.116 20 0 CEADMP CCO[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000452033113 283165393 /nfs/dbraw/zinc/16/53/93/283165393.db2.gz FXQAIIYYCYKBSQ-RRFJBIMHSA-N 2 1 254.418 2.408 20 0 CEADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2CC(C)(C)C)CC1 ZINC000338236899 366245294 /nfs/dbraw/zinc/24/52/94/366245294.db2.gz NFPNBKDHJJOTTQ-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2CC(C)(C)C)CC1 ZINC000338236899 366245303 /nfs/dbraw/zinc/24/53/03/366245303.db2.gz NFPNBKDHJJOTTQ-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@H](C[NH2+]CCCNC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000496010516 291100241 /nfs/dbraw/zinc/10/02/41/291100241.db2.gz NVXDSEVZYCZGBQ-CQSZACIVSA-N 2 1 299.459 2.365 20 0 CEADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1O ZINC000134004164 366276641 /nfs/dbraw/zinc/27/66/41/366276641.db2.gz JPECKOGSFFZJMZ-UHFFFAOYSA-N 2 1 278.396 2.174 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2scnc2C2CC2)CC[NH2+]1 ZINC000414947302 540248382 /nfs/dbraw/zinc/24/83/82/540248382.db2.gz KPRBCMHCYVQCSW-GXSJLCMTSA-N 2 1 251.399 2.251 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCC[C@H]1C ZINC000386160523 540248417 /nfs/dbraw/zinc/24/84/17/540248417.db2.gz QMDDHZDYOHRZBW-RBSFLKMASA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000386160523 540248419 /nfs/dbraw/zinc/24/84/19/540248419.db2.gz QMDDHZDYOHRZBW-RBSFLKMASA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000386160523 540248420 /nfs/dbraw/zinc/24/84/20/540248420.db2.gz QMDDHZDYOHRZBW-RBSFLKMASA-N 2 1 256.434 2.198 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(F)cc1F ZINC000577653218 366378267 /nfs/dbraw/zinc/37/82/67/366378267.db2.gz NTLQFWBEVPBSBG-XHDPSFHLSA-N 2 1 268.351 2.437 20 0 CEADMP C[C@@H]1CCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352756437 219610958 /nfs/dbraw/zinc/61/09/58/219610958.db2.gz QRDADNZIRIJVFC-PWSUYJOCSA-N 2 1 253.415 2.483 20 0 CEADMP C[NH+](C)C1(CNc2cc[nH+]cc2Br)CC1 ZINC000307195628 538874516 /nfs/dbraw/zinc/87/45/16/538874516.db2.gz MSORKKCGMQIROI-UHFFFAOYSA-N 2 1 270.174 2.350 20 0 CEADMP COCC[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000088504634 538877061 /nfs/dbraw/zinc/87/70/61/538877061.db2.gz LMSJTFNDJKGYDF-HRCADAONSA-N 2 1 298.471 2.233 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)C[C@@H]1c1ccccc1 ZINC000417401984 540274985 /nfs/dbraw/zinc/27/49/85/540274985.db2.gz MBTLMSORXQROII-MWDXBVQZSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)C[C@@H]1c1ccccc1 ZINC000417401984 540274987 /nfs/dbraw/zinc/27/49/87/540274987.db2.gz MBTLMSORXQROII-MWDXBVQZSA-N 2 1 274.408 2.325 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CC2([NH3+])CCC2)c1 ZINC000165956268 540328713 /nfs/dbraw/zinc/32/87/13/540328713.db2.gz DJZBMUJBMPWTHN-UHFFFAOYSA-N 2 1 289.423 2.026 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)o1 ZINC000685568471 540339040 /nfs/dbraw/zinc/33/90/40/540339040.db2.gz HYQYTDKLESTFHH-LBPRGKRZSA-N 2 1 260.341 2.394 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCNC(=O)OC(C)(C)C)CC1 ZINC000496323240 291128655 /nfs/dbraw/zinc/12/86/55/291128655.db2.gz HSCAVBXRWZSZEW-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353455480 283321006 /nfs/dbraw/zinc/32/10/06/283321006.db2.gz REAROPHUENOMFH-ZACQAIPSSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000389864164 540368309 /nfs/dbraw/zinc/36/83/09/540368309.db2.gz JWJJUAHSZXSJEB-KBAYOESNSA-N 2 1 287.451 2.239 20 0 CEADMP CCOC(=O)c1cc(C[NH2+]C2CCN(CC)CC2)[nH]c1C ZINC000294637681 199116940 /nfs/dbraw/zinc/11/69/40/199116940.db2.gz AUSBRZBUTODAIP-UHFFFAOYSA-N 2 1 293.411 2.074 20 0 CEADMP CCOC(=O)c1cc(C[NH2+]C2CC[NH+](CC)CC2)[nH]c1C ZINC000294637681 199116942 /nfs/dbraw/zinc/11/69/42/199116942.db2.gz AUSBRZBUTODAIP-UHFFFAOYSA-N 2 1 293.411 2.074 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+]1CCCC[C@H]1C ZINC000349116837 283334513 /nfs/dbraw/zinc/33/45/13/283334513.db2.gz HUYOMKZUWRTPRD-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000349116837 283334517 /nfs/dbraw/zinc/33/45/17/283334517.db2.gz HUYOMKZUWRTPRD-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000349116837 283334521 /nfs/dbraw/zinc/33/45/21/283334521.db2.gz HUYOMKZUWRTPRD-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000390555586 540391636 /nfs/dbraw/zinc/39/16/36/540391636.db2.gz IFEMBALAZRZXKP-DJIMGWMZSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000390555586 540391640 /nfs/dbraw/zinc/39/16/40/540391640.db2.gz IFEMBALAZRZXKP-DJIMGWMZSA-N 2 1 275.440 2.366 20 0 CEADMP CC[C@@H]1CCCCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000135297401 366424103 /nfs/dbraw/zinc/42/41/03/366424103.db2.gz XEKRFVZVSMZARO-LLVKDONJSA-N 2 1 266.389 2.418 20 0 CEADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000578185528 366455215 /nfs/dbraw/zinc/45/52/15/366455215.db2.gz RFJGUBOJJPFQGX-DZGCQCFKSA-N 2 1 275.396 2.135 20 0 CEADMP c1[nH]nc(-c2cccnc2)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578507247 366502612 /nfs/dbraw/zinc/50/26/12/366502612.db2.gz JGYNIAHSMMQPEU-KRWDZBQOSA-N 2 1 297.406 2.047 20 0 CEADMP c1[nH]nc(-c2cccnc2)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578507247 366502621 /nfs/dbraw/zinc/50/26/21/366502621.db2.gz JGYNIAHSMMQPEU-KRWDZBQOSA-N 2 1 297.406 2.047 20 0 CEADMP Cn1cncc1CCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000314983831 540475580 /nfs/dbraw/zinc/47/55/80/540475580.db2.gz XYQZMQPGBJSUFU-UHFFFAOYSA-N 2 1 286.423 2.204 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000314983831 540475583 /nfs/dbraw/zinc/47/55/83/540475583.db2.gz XYQZMQPGBJSUFU-UHFFFAOYSA-N 3 1 286.423 2.204 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000314983831 540475584 /nfs/dbraw/zinc/47/55/84/540475584.db2.gz XYQZMQPGBJSUFU-UHFFFAOYSA-N 3 1 286.423 2.204 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1c(F)cncc1F ZINC000671770694 540508551 /nfs/dbraw/zinc/50/85/51/540508551.db2.gz BNXPUXNXIVWGCZ-DCAQKATOSA-N 2 1 269.339 2.493 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC000666853266 540509429 /nfs/dbraw/zinc/50/94/29/540509429.db2.gz WRVJOHAPIQHQGE-WDEREUQCSA-N 2 1 265.426 2.381 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC000668077266 540564083 /nfs/dbraw/zinc/56/40/83/540564083.db2.gz JUXWAJQMDBVUAP-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC000668077266 540564086 /nfs/dbraw/zinc/56/40/86/540564086.db2.gz JUXWAJQMDBVUAP-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)c1 ZINC000668077266 540564088 /nfs/dbraw/zinc/56/40/88/540564088.db2.gz JUXWAJQMDBVUAP-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CCOc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(C)c1 ZINC000668077266 540564090 /nfs/dbraw/zinc/56/40/90/540564090.db2.gz JUXWAJQMDBVUAP-IYBDPMFKSA-N 2 1 274.408 2.387 20 0 CEADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000672241822 540610940 /nfs/dbraw/zinc/61/09/40/540610940.db2.gz XAQLZZITUCQHPH-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2(C(=O)Nc3ccccc3)CC2)C1 ZINC000571226022 299300470 /nfs/dbraw/zinc/30/04/70/299300470.db2.gz HIFMGLJXOCDRID-TZMCWYRMSA-N 2 1 273.380 2.017 20 0 CEADMP CC[N@H+]1CCCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000297879895 200297661 /nfs/dbraw/zinc/29/76/61/200297661.db2.gz QGLQBQZRGXWBGD-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP CC[NH+]1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000297879895 200297662 /nfs/dbraw/zinc/29/76/62/200297662.db2.gz QGLQBQZRGXWBGD-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP CC[NH+]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000297879895 200297664 /nfs/dbraw/zinc/29/76/64/200297664.db2.gz QGLQBQZRGXWBGD-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000150804545 366598670 /nfs/dbraw/zinc/59/86/70/366598670.db2.gz JTEZFXZKAMXBRM-PBHICJAKSA-N 2 1 292.398 2.277 20 0 CEADMP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000150804545 366598678 /nfs/dbraw/zinc/59/86/78/366598678.db2.gz JTEZFXZKAMXBRM-PBHICJAKSA-N 2 1 292.398 2.277 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339066417 366638833 /nfs/dbraw/zinc/63/88/33/366638833.db2.gz CIWVDXMRZHOITN-YYIAUSFCSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339066417 366638838 /nfs/dbraw/zinc/63/88/38/366638838.db2.gz CIWVDXMRZHOITN-YYIAUSFCSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1CCC[C@H](C)[NH+]1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339066417 366638841 /nfs/dbraw/zinc/63/88/41/366638841.db2.gz CIWVDXMRZHOITN-YYIAUSFCSA-N 2 1 279.472 2.466 20 0 CEADMP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339065996 366638881 /nfs/dbraw/zinc/63/88/81/366638881.db2.gz DKEWMZXDOUVYKQ-MSOLQXFVSA-N 3 1 287.451 2.465 20 0 CEADMP C[NH+](C)Cc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339065996 366638883 /nfs/dbraw/zinc/63/88/83/366638883.db2.gz DKEWMZXDOUVYKQ-MSOLQXFVSA-N 2 1 287.451 2.465 20 0 CEADMP C[NH+](C)Cc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339065996 366638886 /nfs/dbraw/zinc/63/88/86/366638886.db2.gz DKEWMZXDOUVYKQ-MSOLQXFVSA-N 2 1 287.451 2.465 20 0 CEADMP Fc1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339065966 366639067 /nfs/dbraw/zinc/63/90/67/366639067.db2.gz CQDAHKKOUMGGEE-CABCVRRESA-N 2 1 278.371 2.421 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339073223 366640735 /nfs/dbraw/zinc/64/07/35/366640735.db2.gz BBPFVOSLBMZJFI-SQNIBIBYSA-N 2 1 288.435 2.461 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2cccnc2-n2ccnc2)[C@H](C)C1 ZINC000151495676 366647892 /nfs/dbraw/zinc/64/78/92/366647892.db2.gz KPKZZTMDQRSIFA-GDBMZVCRSA-N 3 1 299.422 2.087 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)[C@H](C)C1 ZINC000151495676 366647898 /nfs/dbraw/zinc/64/78/98/366647898.db2.gz KPKZZTMDQRSIFA-GDBMZVCRSA-N 3 1 299.422 2.087 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)C12CCOCC2 ZINC000579461986 366649318 /nfs/dbraw/zinc/64/93/18/366649318.db2.gz SYOUPNLJGGMFOM-BZUAXINKSA-N 2 1 296.455 2.068 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000151923687 366675954 /nfs/dbraw/zinc/67/59/54/366675954.db2.gz OUBSZAWLJSCHPT-OAHLLOKOSA-N 3 1 293.455 2.229 20 0 CEADMP Cc1cc(NC[C@H](CC(C)C)[NH+](C)C)nc(C)[nH+]1 ZINC000298273358 200379968 /nfs/dbraw/zinc/37/99/68/200379968.db2.gz GMKOMCURNQAREV-ZDUSSCGKSA-N 2 1 250.390 2.482 20 0 CEADMP Cn1cc(CCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000673755135 540694193 /nfs/dbraw/zinc/69/41/93/540694193.db2.gz TVYGMULEGKETEP-QGZVFWFLSA-N 2 1 290.455 2.016 20 0 CEADMP Cn1cc(CCC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000673755135 540694196 /nfs/dbraw/zinc/69/41/96/540694196.db2.gz TVYGMULEGKETEP-QGZVFWFLSA-N 2 1 290.455 2.016 20 0 CEADMP Cn1cc(CCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000673755135 540694198 /nfs/dbraw/zinc/69/41/98/540694198.db2.gz TVYGMULEGKETEP-QGZVFWFLSA-N 2 1 290.455 2.016 20 0 CEADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccsc1 ZINC000178779569 189145261 /nfs/dbraw/zinc/14/52/61/189145261.db2.gz POWOAXBXUSRQLI-AWEZNQCLSA-N 2 1 281.469 2.426 20 0 CEADMP c1cc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cs1 ZINC000178976203 189159025 /nfs/dbraw/zinc/15/90/25/189159025.db2.gz XQOZAXGWVRTMDK-AWEZNQCLSA-N 2 1 266.410 2.121 20 0 CEADMP Cc1cccc(OCC[N@H+](C)CCn2ccnc2)c1 ZINC000179192065 189176335 /nfs/dbraw/zinc/17/63/35/189176335.db2.gz WKVONGYKXBUZKN-UHFFFAOYSA-N 2 1 259.353 2.202 20 0 CEADMP CCCC[C@@H](COC)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882364 540878634 /nfs/dbraw/zinc/87/86/34/540878634.db2.gz RFLMFYRELQUFBO-IRXDYDNUSA-N 2 1 298.471 2.425 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cnn3ccccc23)CCN1C ZINC000179905470 189227183 /nfs/dbraw/zinc/22/71/83/189227183.db2.gz FQXVEVFCEQUOPE-ZFWWWQNUSA-N 2 1 272.396 2.249 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnn3ccccc23)CCN1C ZINC000179905470 189227184 /nfs/dbraw/zinc/22/71/84/189227184.db2.gz FQXVEVFCEQUOPE-ZFWWWQNUSA-N 2 1 272.396 2.249 20 0 CEADMP CC(C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000180165110 189240787 /nfs/dbraw/zinc/24/07/87/189240787.db2.gz HGBOWTYHWZEXHF-IXDOHACOSA-N 2 1 288.435 2.258 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2ccccn2)[C@H](C)C1 ZINC000181486783 189297885 /nfs/dbraw/zinc/29/78/85/189297885.db2.gz PBMYTJDFUNXQQG-ZBFHGGJFSA-N 2 1 261.413 2.334 20 0 CEADMP CCCC[C@@H](COC)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152446000 366696897 /nfs/dbraw/zinc/69/68/97/366696897.db2.gz ZZLSWZAIOFFTJL-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000237067099 370686301 /nfs/dbraw/zinc/68/63/01/370686301.db2.gz BMWDWLIHGCBBEY-BZUAXINKSA-N 2 1 295.471 2.003 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000571697267 299324363 /nfs/dbraw/zinc/32/43/63/299324363.db2.gz FVGSPMMXGVDHHA-NJAFHUGGSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000571697267 299324368 /nfs/dbraw/zinc/32/43/68/299324368.db2.gz FVGSPMMXGVDHHA-NJAFHUGGSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000571697267 299324371 /nfs/dbraw/zinc/32/43/71/299324371.db2.gz FVGSPMMXGVDHHA-NJAFHUGGSA-N 2 1 290.451 2.252 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000677985749 541065320 /nfs/dbraw/zinc/06/53/20/541065320.db2.gz FDQKNNQMPOUIQC-UHFFFAOYSA-N 2 1 286.379 2.198 20 0 CEADMP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C ZINC000154274411 366765658 /nfs/dbraw/zinc/76/56/58/366765658.db2.gz BSVGUSPXXAUPHW-ILXRZTDVSA-N 2 1 256.434 2.103 20 0 CEADMP C[N@@H+](CCCn1ccnc1)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000580205187 366766197 /nfs/dbraw/zinc/76/61/97/366766197.db2.gz VKLUPECSXQDTGF-OAHLLOKOSA-N 2 1 290.386 2.087 20 0 CEADMP [NH3+]C1(c2noc([C@H]3CCc4[nH+]ccn4C3)n2)CCCCC1 ZINC000581720671 366814943 /nfs/dbraw/zinc/81/49/43/366814943.db2.gz HBWPQWICSYRBOK-NSHDSACASA-N 2 1 287.367 2.114 20 0 CEADMP COCC[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCCC1 ZINC000678073041 541076904 /nfs/dbraw/zinc/07/69/04/541076904.db2.gz JTRGRTHNZODHDZ-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP COCC[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000678073041 541076907 /nfs/dbraw/zinc/07/69/07/541076907.db2.gz JTRGRTHNZODHDZ-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP COCC[NH+](CC[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC000678073041 541076910 /nfs/dbraw/zinc/07/69/10/541076910.db2.gz JTRGRTHNZODHDZ-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP Cc1nccc([C@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000678072979 541077056 /nfs/dbraw/zinc/07/70/56/541077056.db2.gz HCJOYLREBKNCSP-HOTGVXAUSA-N 2 1 288.439 2.449 20 0 CEADMP Cc1nccc([C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000678072979 541077060 /nfs/dbraw/zinc/07/70/60/541077060.db2.gz HCJOYLREBKNCSP-HOTGVXAUSA-N 2 1 288.439 2.449 20 0 CEADMP Cc1nccc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000678072979 541077063 /nfs/dbraw/zinc/07/70/63/541077063.db2.gz HCJOYLREBKNCSP-HOTGVXAUSA-N 2 1 288.439 2.449 20 0 CEADMP Cc1nccc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000678072979 541077064 /nfs/dbraw/zinc/07/70/64/541077064.db2.gz HCJOYLREBKNCSP-HOTGVXAUSA-N 2 1 288.439 2.449 20 0 CEADMP COc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1O ZINC000678587646 541153234 /nfs/dbraw/zinc/15/32/34/541153234.db2.gz SWTTZQUFKCCSOX-GXTWGEPZSA-N 2 1 278.396 2.016 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)N(C)c1ccccc1 ZINC000156148260 366827564 /nfs/dbraw/zinc/82/75/64/366827564.db2.gz SENIZQRCVWYQFQ-INMHGKMJSA-N 2 1 275.440 2.441 20 0 CEADMP C[C@@H]1C[C@@H](Nc2ccc3c(c2)[nH+]cn3C)CC[N@@H+]1C ZINC000679153222 541222567 /nfs/dbraw/zinc/22/25/67/541222567.db2.gz PMXZYLWAEROBHG-YPMHNXCESA-N 2 1 258.369 2.468 20 0 CEADMP C[C@@H]1C[C@@H](Nc2ccc3c(c2)[nH+]cn3C)CC[N@H+]1C ZINC000679153222 541222570 /nfs/dbraw/zinc/22/25/70/541222570.db2.gz PMXZYLWAEROBHG-YPMHNXCESA-N 2 1 258.369 2.468 20 0 CEADMP C[C@H]1C[C@@H](Nc2ccc3c(c2)[nH+]cn3C)CC[N@@H+]1C ZINC000679153214 541222625 /nfs/dbraw/zinc/22/26/25/541222625.db2.gz PMXZYLWAEROBHG-AAEUAGOBSA-N 2 1 258.369 2.468 20 0 CEADMP C[C@H]1C[C@@H](Nc2ccc3c(c2)[nH+]cn3C)CC[N@H+]1C ZINC000679153214 541222628 /nfs/dbraw/zinc/22/26/28/541222628.db2.gz PMXZYLWAEROBHG-AAEUAGOBSA-N 2 1 258.369 2.468 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]Cc1sccc1Br ZINC000087575927 363861406 /nfs/dbraw/zinc/86/14/06/363861406.db2.gz YKNKLFHEPLGCCY-SSDOTTSWSA-N 2 1 263.204 2.195 20 0 CEADMP COc1ccccc1OCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000088399414 363893887 /nfs/dbraw/zinc/89/38/87/363893887.db2.gz VCFNMRHILOKVBC-KBPBESRZSA-N 2 1 278.396 2.133 20 0 CEADMP COCc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000088555265 363907696 /nfs/dbraw/zinc/90/76/96/363907696.db2.gz BXABEAVNTGLRPV-CQSZACIVSA-N 2 1 262.397 2.394 20 0 CEADMP CCn1cncc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000090173894 364044473 /nfs/dbraw/zinc/04/44/73/364044473.db2.gz RHIKKWXUYLPJCK-AGUYFDCRSA-N 2 1 262.401 2.008 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cncn2C)C1 ZINC000237539217 370730966 /nfs/dbraw/zinc/73/09/66/370730966.db2.gz DTMWTVAOQOZBIA-CQSZACIVSA-N 2 1 264.417 2.022 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237497594 370727117 /nfs/dbraw/zinc/72/71/17/370727117.db2.gz WEAITISZTQWBAX-RDJZCZTQSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2([NH3+])CCCCC2)C1 ZINC000237512674 370728634 /nfs/dbraw/zinc/72/86/34/370728634.db2.gz BFWRBECMUUVQMA-GASCZTMLSA-N 2 1 295.471 2.132 20 0 CEADMP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CC1 ZINC000638787828 370750839 /nfs/dbraw/zinc/75/08/39/370750839.db2.gz JJBYSODPRFVXKN-HOCLYGCPSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638795347 370756953 /nfs/dbraw/zinc/75/69/53/370756953.db2.gz BSXUKAFNUAOSEK-YSVLISHTSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638795347 370756958 /nfs/dbraw/zinc/75/69/58/370756958.db2.gz BSXUKAFNUAOSEK-YSVLISHTSA-N 2 1 274.408 2.325 20 0 CEADMP Cc1ccn2c(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cnc2c1 ZINC000334692962 364189696 /nfs/dbraw/zinc/18/96/96/364189696.db2.gz JKYSUUVSSRRMHL-KBPBESRZSA-N 2 1 272.396 2.202 20 0 CEADMP Cc1ccn2c(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cnc2c1 ZINC000334692962 364189701 /nfs/dbraw/zinc/18/97/01/364189701.db2.gz JKYSUUVSSRRMHL-KBPBESRZSA-N 2 1 272.396 2.202 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccccc1F)CC(C)(C)C[NH3+] ZINC000093874024 364238965 /nfs/dbraw/zinc/23/89/65/364238965.db2.gz IPIDDSJQGXZHDL-UHFFFAOYSA-N 2 1 281.375 2.071 20 0 CEADMP C(C[N@H+]1CCC[C@]2(CCCOC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334784440 364265678 /nfs/dbraw/zinc/26/56/78/364265678.db2.gz LUMDNOJYYDSDKN-HOTGVXAUSA-N 2 1 266.429 2.269 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000356592835 370766553 /nfs/dbraw/zinc/76/65/53/370766553.db2.gz FNBLIBQYPTUMGL-OAHLLOKOSA-N 2 1 297.487 2.343 20 0 CEADMP Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000335004406 364338949 /nfs/dbraw/zinc/33/89/49/364338949.db2.gz XXQIAXYPGYQQPQ-GXTWGEPZSA-N 2 1 272.396 2.202 20 0 CEADMP Nc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000334978808 364302090 /nfs/dbraw/zinc/30/20/90/364302090.db2.gz AJLZHAKFKZKBLQ-CABCVRRESA-N 2 1 259.397 2.090 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+]C1CC[NH+](C)CC1 ZINC000094950226 364314366 /nfs/dbraw/zinc/31/43/66/364314366.db2.gz LTPNBKGSGLZPRV-UHFFFAOYSA-N 2 1 250.361 2.360 20 0 CEADMP Cc1ccn2cc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)nc2c1 ZINC000335032803 364380992 /nfs/dbraw/zinc/38/09/92/364380992.db2.gz ARHJXWKKQWPTOM-HIFRSBDPSA-N 2 1 272.396 2.120 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000335010853 364347816 /nfs/dbraw/zinc/34/78/16/364347816.db2.gz RIEOLKHOGXSISQ-BBRMVZONSA-N 2 1 273.424 2.438 20 0 CEADMP C[C@@H](C[C@@H]1CCCO1)[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000156733142 366837712 /nfs/dbraw/zinc/83/77/12/366837712.db2.gz JTTBRGMRGFWDHK-QTVXIADOSA-N 2 1 254.418 2.262 20 0 CEADMP [NH3+]C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCCC1 ZINC000335056151 364409878 /nfs/dbraw/zinc/40/98/78/364409878.db2.gz CDYICOKGMWSNNV-GJZGRUSLSA-N 2 1 265.445 2.255 20 0 CEADMP Cc1ccncc1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000335148338 364542597 /nfs/dbraw/zinc/54/25/97/364542597.db2.gz WGUVPSBZANPZQI-ZDUSSCGKSA-N 2 1 256.353 2.113 20 0 CEADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000582072213 366859909 /nfs/dbraw/zinc/85/99/09/366859909.db2.gz QSYVTERUKQKIIA-GASCZTMLSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@@H](CCO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000097603108 364513232 /nfs/dbraw/zinc/51/32/32/364513232.db2.gz USWTWUZBAATSED-AWEZNQCLSA-N 2 1 262.397 2.012 20 0 CEADMP CC1CCC([NH+]2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000101734335 364572909 /nfs/dbraw/zinc/57/29/09/364572909.db2.gz ODKVBBJXXUKUBW-UHFFFAOYSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000104087479 364675545 /nfs/dbraw/zinc/67/55/45/364675545.db2.gz OHOVWSDHAJCJTC-UHFFFAOYSA-N 2 1 275.440 2.146 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1F ZINC000104424524 364697283 /nfs/dbraw/zinc/69/72/83/364697283.db2.gz DVMYZNHPOVRSOJ-AAEUAGOBSA-N 2 1 266.360 2.394 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1F ZINC000104424524 364697291 /nfs/dbraw/zinc/69/72/91/364697291.db2.gz DVMYZNHPOVRSOJ-AAEUAGOBSA-N 2 1 266.360 2.394 20 0 CEADMP CC1(C)CC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000335643619 212359803 /nfs/dbraw/zinc/35/98/03/212359803.db2.gz QVWFPQLINNSAES-PCKAHOCUSA-N 2 1 279.472 2.371 20 0 CEADMP CCCC[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000112309891 364789062 /nfs/dbraw/zinc/78/90/62/364789062.db2.gz JYYVSQIJRIVYEM-MRXNPFEDSA-N 2 1 291.439 2.137 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000112309891 364789068 /nfs/dbraw/zinc/78/90/68/364789068.db2.gz JYYVSQIJRIVYEM-MRXNPFEDSA-N 2 1 291.439 2.137 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)ccc21 ZINC000335634182 364817371 /nfs/dbraw/zinc/81/73/71/364817371.db2.gz MYQINWLFSOPCQN-HZPDHXFCSA-N 2 1 298.434 2.395 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000335631293 212345211 /nfs/dbraw/zinc/34/52/11/212345211.db2.gz AAFXPPZHMBZUTQ-OLZOCXBDSA-N 2 1 265.426 2.273 20 0 CEADMP COC1(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CCCC1 ZINC000335776682 364965408 /nfs/dbraw/zinc/96/54/08/364965408.db2.gz CUJIJTYOCVZHFF-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP COC1(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)CCCC1 ZINC000335776682 364965410 /nfs/dbraw/zinc/96/54/10/364965410.db2.gz CUJIJTYOCVZHFF-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP COC1(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCCC1 ZINC000335776682 364965415 /nfs/dbraw/zinc/96/54/15/364965415.db2.gz CUJIJTYOCVZHFF-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)CC[N@@H+]1C ZINC000335815137 365019844 /nfs/dbraw/zinc/01/98/44/365019844.db2.gz YWKJSEYQPAPBJD-CZUORRHYSA-N 2 1 299.418 2.111 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)CC[N@H+]1C ZINC000335815137 365019851 /nfs/dbraw/zinc/01/98/51/365019851.db2.gz YWKJSEYQPAPBJD-CZUORRHYSA-N 2 1 299.418 2.111 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CCO1 ZINC000335826031 365036213 /nfs/dbraw/zinc/03/62/13/365036213.db2.gz ZCKLMHHRMJRSCD-NSHDSACASA-N 2 1 263.366 2.155 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000356648787 370785102 /nfs/dbraw/zinc/78/51/02/370785102.db2.gz PZTXMDJWBANWRR-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000356648787 370785108 /nfs/dbraw/zinc/78/51/08/370785108.db2.gz PZTXMDJWBANWRR-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC000356648787 370785098 /nfs/dbraw/zinc/78/50/98/370785098.db2.gz PZTXMDJWBANWRR-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000356675348 370792298 /nfs/dbraw/zinc/79/22/98/370792298.db2.gz KLULKWCWOCLADX-TUVASFSCSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000335937511 365184596 /nfs/dbraw/zinc/18/45/96/365184596.db2.gz FQFYJPJIMCUXNU-CABCVRRESA-N 2 1 295.471 2.048 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccnc1 ZINC000275364576 193012011 /nfs/dbraw/zinc/01/20/11/193012011.db2.gz BLUAWPZJWGUPTO-CHWSQXEVSA-N 2 1 256.353 2.191 20 0 CEADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000356939500 370801299 /nfs/dbraw/zinc/80/12/99/370801299.db2.gz UNYWYGDOXLOJNF-KFWWJZLASA-N 2 1 295.471 2.238 20 0 CEADMP CC[NH+](CC)CCN1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000119839250 365331535 /nfs/dbraw/zinc/33/15/35/365331535.db2.gz PGVFYMCRCUDOOI-HNNXBMFYSA-N 2 1 267.461 2.277 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)CC[C@@H]1[NH3+] ZINC000336055895 365348533 /nfs/dbraw/zinc/34/85/33/365348533.db2.gz YWYPKTHIPCLWBJ-CJNGLKHVSA-N 2 1 270.380 2.041 20 0 CEADMP COCC1(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000340445722 366888052 /nfs/dbraw/zinc/88/80/52/366888052.db2.gz ZAILIWZKYYQJAI-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)CC(CC(C)C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000582176232 366874294 /nfs/dbraw/zinc/87/42/94/366874294.db2.gz JARZWTDFNRAYJU-INIZCTEOSA-N 2 1 270.461 2.492 20 0 CEADMP CC(C)CC(CC(C)C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000582176232 366874299 /nfs/dbraw/zinc/87/42/99/366874299.db2.gz JARZWTDFNRAYJU-INIZCTEOSA-N 2 1 270.461 2.492 20 0 CEADMP Cc1cnccc1NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000120828615 365481603 /nfs/dbraw/zinc/48/16/03/365481603.db2.gz FVJFJXOMKVHCBI-AWEZNQCLSA-N 2 1 290.411 2.489 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000336155947 365488014 /nfs/dbraw/zinc/48/80/14/365488014.db2.gz QSMWOFABJFVPTR-GWCFXTLKSA-N 2 1 274.368 2.147 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000336155947 365488016 /nfs/dbraw/zinc/48/80/16/365488016.db2.gz QSMWOFABJFVPTR-GWCFXTLKSA-N 2 1 274.368 2.147 20 0 CEADMP C[NH2+][C@@H](C)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000582735446 366951834 /nfs/dbraw/zinc/95/18/34/366951834.db2.gz GTMMBXNQJSAAMG-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000340673557 366980423 /nfs/dbraw/zinc/98/04/23/366980423.db2.gz JFGFZHJOXAVBCF-HOCLYGCPSA-N 2 1 266.429 2.125 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000583078119 366996246 /nfs/dbraw/zinc/99/62/46/366996246.db2.gz MNVFPWVCJWULJR-GDBMZVCRSA-N 2 1 273.424 2.260 20 0 CEADMP CCC(O)(CC)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000583095782 367000546 /nfs/dbraw/zinc/00/05/46/367000546.db2.gz UZCNDCOLABMPLQ-KBPBESRZSA-N 2 1 270.461 2.494 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccnc(OC)c2)C1 ZINC000583332881 367035271 /nfs/dbraw/zinc/03/52/71/367035271.db2.gz XUGZQSFMHHOERW-CHWSQXEVSA-N 2 1 263.385 2.083 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCOC2)C1 ZINC000583290252 367026476 /nfs/dbraw/zinc/02/64/76/367026476.db2.gz PHOBWEVQHOLCHB-SOUVJXGZSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000583822884 367103792 /nfs/dbraw/zinc/10/37/92/367103792.db2.gz AWKYTDGUDCNNSL-ARFHVFGLSA-N 2 1 267.461 2.356 20 0 CEADMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000340952949 367106115 /nfs/dbraw/zinc/10/61/15/367106115.db2.gz LGZDNVZNLQYGAG-INIZCTEOSA-N 2 1 297.487 2.296 20 0 CEADMP CN(C)c1cccc(C[N@@H+](C)CCn2ccnc2)c1 ZINC000162319593 367151085 /nfs/dbraw/zinc/15/10/85/367151085.db2.gz DSWZSXFOLOLOOZ-UHFFFAOYSA-N 2 1 258.369 2.081 20 0 CEADMP Cc1cnc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)n1C ZINC000341088225 367166227 /nfs/dbraw/zinc/16/62/27/367166227.db2.gz GDVQAWNXGVLHBZ-CQSZACIVSA-N 2 1 278.444 2.473 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnccn1 ZINC000162855245 367196183 /nfs/dbraw/zinc/19/61/83/367196183.db2.gz BAXBAVGRUAKBGX-ZNMIVQPWSA-N 2 1 292.427 2.017 20 0 CEADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C[NH+](C)C ZINC000341294655 367272841 /nfs/dbraw/zinc/27/28/41/367272841.db2.gz IBPPHMFQMUQGNU-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP c1ccc(NC[C@@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)nc1 ZINC000163459739 367242007 /nfs/dbraw/zinc/24/20/07/367242007.db2.gz IJVVQDLSNPHSCX-INIZCTEOSA-N 2 1 288.439 2.301 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000341337052 367290871 /nfs/dbraw/zinc/29/08/71/367290871.db2.gz BAFXFOVHZYMUFT-CYBMUJFWSA-N 2 1 289.414 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000357987988 370861817 /nfs/dbraw/zinc/86/18/17/370861817.db2.gz FAQWINIZWQFIQP-IUODEOHRSA-N 2 1 266.360 2.134 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(CN(C)C)CCC1 ZINC000341512548 367363065 /nfs/dbraw/zinc/36/30/65/367363065.db2.gz NTLIQBBIKIIWKL-UHFFFAOYSA-N 2 1 299.422 2.150 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000342688554 367484051 /nfs/dbraw/zinc/48/40/51/367484051.db2.gz CYCCEAKPMPPAQA-OAGGEKHMSA-N 2 1 295.471 2.003 20 0 CEADMP CC1CC[NH+](Cc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000171380821 367530880 /nfs/dbraw/zinc/53/08/80/367530880.db2.gz AGNHVMFQEKDYHP-UHFFFAOYSA-N 2 1 289.423 2.419 20 0 CEADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631826769 367566007 /nfs/dbraw/zinc/56/60/07/367566007.db2.gz WNATUBXSHPAGHO-OWCLPIDISA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2c1CCOC2 ZINC000631829256 367567435 /nfs/dbraw/zinc/56/74/35/367567435.db2.gz LWUPFLXIFPPPIS-HZPDHXFCSA-N 2 1 260.381 2.119 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc2c1CCOC2 ZINC000631821323 367559556 /nfs/dbraw/zinc/55/95/56/367559556.db2.gz VHLPMQKAAHEFDQ-SUMWQHHRSA-N 2 1 274.408 2.461 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc2c1CCOC2 ZINC000631821323 367559560 /nfs/dbraw/zinc/55/95/60/367559560.db2.gz VHLPMQKAAHEFDQ-SUMWQHHRSA-N 2 1 274.408 2.461 20 0 CEADMP C[C@@H](C(=O)NCCC1CC[NH+](C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000171268983 367508844 /nfs/dbraw/zinc/50/88/44/367508844.db2.gz QPFXETHOTQNHCI-ZNMIVQPWSA-N 2 1 295.471 2.096 20 0 CEADMP CCc1nc(NCC[C@H](C)[NH+]2CCCCC2)cc(C)[nH+]1 ZINC000342850231 367570876 /nfs/dbraw/zinc/57/08/76/367570876.db2.gz MIHFIRBDRHUTIG-AWEZNQCLSA-N 2 1 276.428 2.446 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000631842153 367584036 /nfs/dbraw/zinc/58/40/36/367584036.db2.gz WBOWEFHJGPWUAZ-VXGBXAGGSA-N 2 1 295.814 2.195 20 0 CEADMP OCC[NH2+]C1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000631862797 367599010 /nfs/dbraw/zinc/59/90/10/367599010.db2.gz TZZZZDOFIIUXBJ-UHFFFAOYSA-N 2 1 274.408 2.110 20 0 CEADMP CC(C)[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCN1C ZINC000631879878 367605094 /nfs/dbraw/zinc/60/50/94/367605094.db2.gz IILQCKGXTINMQK-MRXNPFEDSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)[C@H]1CN(CCCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000631879878 367605099 /nfs/dbraw/zinc/60/50/99/367605099.db2.gz IILQCKGXTINMQK-MRXNPFEDSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)[C@H]1CN(CCCC2CC[NH2+]CC2)CC[N@H+]1C ZINC000631879878 367605102 /nfs/dbraw/zinc/60/51/02/367605102.db2.gz IILQCKGXTINMQK-MRXNPFEDSA-N 2 1 267.461 2.038 20 0 CEADMP c1ccc(COCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631889572 367610205 /nfs/dbraw/zinc/61/02/05/367610205.db2.gz HMVCDDKNAIKLNE-SJORKVTESA-N 2 1 274.408 2.277 20 0 CEADMP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1 ZINC000631888303 367610363 /nfs/dbraw/zinc/61/03/63/367610363.db2.gz UYNMAWXHJAMKGL-ZBFHGGJFSA-N 2 1 287.407 2.089 20 0 CEADMP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1 ZINC000631888303 367610368 /nfs/dbraw/zinc/61/03/68/367610368.db2.gz UYNMAWXHJAMKGL-ZBFHGGJFSA-N 2 1 287.407 2.089 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)C1CCCC1 ZINC000631891223 367611669 /nfs/dbraw/zinc/61/16/69/367611669.db2.gz XBLJQEJXNHSAGE-HRCADAONSA-N 2 1 266.429 2.266 20 0 CEADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)c2)c1 ZINC000631891065 367612631 /nfs/dbraw/zinc/61/26/31/367612631.db2.gz VRMBGBOXFUXLER-WMZOPIPTSA-N 2 1 296.418 2.446 20 0 CEADMP Cc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)s1 ZINC000171909717 367636954 /nfs/dbraw/zinc/63/69/54/367636954.db2.gz FCARDWGFLGZKOC-UHFFFAOYSA-N 2 1 293.480 2.270 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+]([C@H]3CCc4ccccc43)CC2)C1 ZINC000682069180 541625692 /nfs/dbraw/zinc/62/56/92/541625692.db2.gz CQYSAPHWISIHGR-HKUYNNGSSA-N 2 1 299.462 2.386 20 0 CEADMP CCc1nc(C)cc(NC[C@@H]2CCCC[N@H+]2C2CC2)n1 ZINC000343103125 367669958 /nfs/dbraw/zinc/66/99/58/367669958.db2.gz OLSOXNMTHKWZJX-AWEZNQCLSA-N 2 1 274.412 2.198 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC[N@@H+]1C ZINC000245854737 370880750 /nfs/dbraw/zinc/88/07/50/370880750.db2.gz GWECLKRUULOXGW-UXXRCYHCSA-N 2 1 264.413 2.016 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC[N@H+]1C ZINC000245854737 370880757 /nfs/dbraw/zinc/88/07/57/370880757.db2.gz GWECLKRUULOXGW-UXXRCYHCSA-N 2 1 264.413 2.016 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000245931842 370890705 /nfs/dbraw/zinc/89/07/05/370890705.db2.gz ZOQRLBYGSQCBKT-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP Cc1[nH+]ccn1CCCCNC(=[NH2+])NC1CCCC1 ZINC000172838150 367827755 /nfs/dbraw/zinc/82/77/55/367827755.db2.gz DFQKJSCMZOBLIL-UHFFFAOYSA-N 2 1 263.389 2.028 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)CC2CCCC2)CC[N@H+]1C ZINC000343597478 367906291 /nfs/dbraw/zinc/90/62/91/367906291.db2.gz KUNAUFAIVUNRNL-BMFZPTHFSA-N 2 1 268.445 2.248 20 0 CEADMP CCOC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000343571265 367891217 /nfs/dbraw/zinc/89/12/17/367891217.db2.gz IORTXGPJKFSHEF-ZIAGYGMSSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000343571265 367891222 /nfs/dbraw/zinc/89/12/22/367891222.db2.gz IORTXGPJKFSHEF-ZIAGYGMSSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000343571265 367891226 /nfs/dbraw/zinc/89/12/26/367891226.db2.gz IORTXGPJKFSHEF-ZIAGYGMSSA-N 2 1 270.417 2.134 20 0 CEADMP c1cc(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccn1 ZINC000173879434 367954676 /nfs/dbraw/zinc/95/46/76/367954676.db2.gz FQPJSJUJLUCXAT-QGZVFWFLSA-N 2 1 273.424 2.432 20 0 CEADMP C[C@H]1C[N@H+](C)C[C@@H]1NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000343693738 367958528 /nfs/dbraw/zinc/95/85/28/367958528.db2.gz NEMKNFACPPJGAG-FZKCQIBNSA-N 2 1 281.488 2.283 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000343693738 367958534 /nfs/dbraw/zinc/95/85/34/367958534.db2.gz NEMKNFACPPJGAG-FZKCQIBNSA-N 2 1 281.488 2.283 20 0 CEADMP C[C@H]1C[NH+](C)C[C@@H]1NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343693738 367958540 /nfs/dbraw/zinc/95/85/40/367958540.db2.gz NEMKNFACPPJGAG-FZKCQIBNSA-N 2 1 281.488 2.283 20 0 CEADMP C[C@H]1C[NH+](C)C[C@@H]1NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343693738 367958549 /nfs/dbraw/zinc/95/85/49/367958549.db2.gz NEMKNFACPPJGAG-FZKCQIBNSA-N 2 1 281.488 2.283 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000343783638 368001008 /nfs/dbraw/zinc/00/10/08/368001008.db2.gz MTCIDRLMCFNSJJ-NVXWUHKLSA-N 2 1 295.471 2.289 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCO[C@H]1C1CC1 ZINC000344093751 368107442 /nfs/dbraw/zinc/10/74/42/368107442.db2.gz CQOOAENPXSPAGA-LTIDMASMSA-N 2 1 278.440 2.408 20 0 CEADMP CC[C@@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)[NH+](CC)CC ZINC000344526828 368127873 /nfs/dbraw/zinc/12/78/73/368127873.db2.gz HRVVSLIAIXQVLN-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000175726817 368168443 /nfs/dbraw/zinc/16/84/43/368168443.db2.gz JPFIJLPQYAUBFP-MRXNPFEDSA-N 2 1 291.439 2.137 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000345331751 368237945 /nfs/dbraw/zinc/23/79/45/368237945.db2.gz YBPOPYWXUQMZBH-HZPDHXFCSA-N 2 1 297.487 2.488 20 0 CEADMP C[N@@H+](CCCn1ccnc1)CC[C@H]1CCCC[NH+]1C ZINC000181083716 368419293 /nfs/dbraw/zinc/41/92/93/368419293.db2.gz CTVXSPGGSZAYQQ-OAHLLOKOSA-N 2 1 264.417 2.079 20 0 CEADMP C[NH+](CCCn1ccnc1)CC[C@H]1CCCC[N@@H+]1C ZINC000181083716 368419302 /nfs/dbraw/zinc/41/93/02/368419302.db2.gz CTVXSPGGSZAYQQ-OAHLLOKOSA-N 2 1 264.417 2.079 20 0 CEADMP C[NH+](CCCn1ccnc1)CC[C@H]1CCCC[N@H+]1C ZINC000181083716 368419306 /nfs/dbraw/zinc/41/93/06/368419306.db2.gz CTVXSPGGSZAYQQ-OAHLLOKOSA-N 2 1 264.417 2.079 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccnn2C)C(C)C)[C@@H](C)C1 ZINC000682647361 541693093 /nfs/dbraw/zinc/69/30/93/541693093.db2.gz PZDDHFXXZWHYPN-JYJNAYRXSA-N 2 1 292.471 2.480 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000346172348 368576491 /nfs/dbraw/zinc/57/64/91/368576491.db2.gz ORNNZJCWIMBFNU-KRWDZBQOSA-N 2 1 298.390 2.188 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2COc3ccccc3O2)[C@@H](C)C1 ZINC000346192513 368585979 /nfs/dbraw/zinc/58/59/79/368585979.db2.gz NLKKWISDVXNLQR-KKUMJFAQSA-N 2 1 290.407 2.146 20 0 CEADMP CC(C)[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCO1 ZINC000346196988 368588647 /nfs/dbraw/zinc/58/86/47/368588647.db2.gz PMMKLPPGQNIDKV-HUUCEWRRSA-N 2 1 252.402 2.042 20 0 CEADMP COCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000346210453 368593311 /nfs/dbraw/zinc/59/33/11/368593311.db2.gz OTGWVAYCYIVZBW-UHFFFAOYSA-N 2 1 286.379 2.187 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)[C@H](C)C1 ZINC000346471745 368686257 /nfs/dbraw/zinc/68/62/57/368686257.db2.gz BDXZPKWMEMPDPC-FPCVCCKLSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[C@](C)(O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000185004009 368735565 /nfs/dbraw/zinc/73/55/65/368735565.db2.gz AHFJGJZTRURPKR-MRXNPFEDSA-N 2 1 279.428 2.082 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc3ccccc3s2)C1 ZINC000358158702 370928708 /nfs/dbraw/zinc/92/87/08/370928708.db2.gz BDABLOAABDQULN-OAHLLOKOSA-N 2 1 276.405 2.058 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc3ccccc3s2)C1 ZINC000358158702 370928711 /nfs/dbraw/zinc/92/87/11/370928711.db2.gz BDABLOAABDQULN-OAHLLOKOSA-N 2 1 276.405 2.058 20 0 CEADMP [NH3+]C1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000346665161 368760055 /nfs/dbraw/zinc/76/00/55/368760055.db2.gz XWSYXLKWVZWHTD-UHFFFAOYSA-N 2 1 284.363 2.192 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246279858 370941153 /nfs/dbraw/zinc/94/11/53/370941153.db2.gz BKHWJXXYFLDFKN-CZUORRHYSA-N 2 1 292.471 2.365 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000246279858 370941157 /nfs/dbraw/zinc/94/11/57/370941157.db2.gz BKHWJXXYFLDFKN-CZUORRHYSA-N 2 1 292.471 2.365 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000572720860 299392990 /nfs/dbraw/zinc/39/29/90/299392990.db2.gz DPXGVJAEUMXNDD-CQSZACIVSA-N 2 1 282.391 2.314 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000572720860 299392992 /nfs/dbraw/zinc/39/29/92/299392992.db2.gz DPXGVJAEUMXNDD-CQSZACIVSA-N 2 1 282.391 2.314 20 0 CEADMP COCCOc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000346686328 368769093 /nfs/dbraw/zinc/76/90/93/368769093.db2.gz UDENIECAVFHRSF-UHFFFAOYSA-N 2 1 280.412 2.129 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000346635391 368744275 /nfs/dbraw/zinc/74/42/75/368744275.db2.gz GXBNIPVZRLDYQK-GXTWGEPZSA-N 2 1 278.396 2.263 20 0 CEADMP C[NH2+][C@@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000346638231 368745515 /nfs/dbraw/zinc/74/55/15/368745515.db2.gz JFSVGRZGBBIRBE-QGZVFWFLSA-N 2 1 289.467 2.438 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346646131 368750465 /nfs/dbraw/zinc/75/04/65/368750465.db2.gz ACQYKTQFJRPHLO-RISCZKNCSA-N 2 1 278.444 2.424 20 0 CEADMP CC(C)C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CCO1 ZINC000347353681 368807586 /nfs/dbraw/zinc/80/75/86/368807586.db2.gz ZPMWVXTXMBMJEU-HUUCEWRRSA-N 2 1 254.418 2.264 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634679408 368809465 /nfs/dbraw/zinc/80/94/65/368809465.db2.gz UBPLQHDFFZPICU-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2nc3c(s2)CCC3)C1 ZINC000634732177 368844206 /nfs/dbraw/zinc/84/42/06/368844206.db2.gz AFDYIGXSSHAYCO-LLVKDONJSA-N 2 1 279.453 2.500 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000346694239 368777455 /nfs/dbraw/zinc/77/74/55/368777455.db2.gz SWTTZMKLUPQCIH-OLZOCXBDSA-N 2 1 270.380 2.246 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)c2c1C ZINC000634810870 368899079 /nfs/dbraw/zinc/89/90/79/368899079.db2.gz LBZLGMAIYJQDBB-KWBADKCTSA-N 2 1 287.411 2.384 20 0 CEADMP CO[C@H](C)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185717043 368848349 /nfs/dbraw/zinc/84/83/49/368848349.db2.gz AVXBSADRSPNDNQ-MGPQQGTHSA-N 2 1 254.418 2.264 20 0 CEADMP CCN(C)C(=O)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185727808 368849970 /nfs/dbraw/zinc/84/99/70/368849970.db2.gz UNCYOMNJYOFZDJ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]([NH2+]CCCCCO)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724104 368850039 /nfs/dbraw/zinc/85/00/39/368850039.db2.gz HFRWRERKYQBUCH-CABCVRRESA-N 2 1 268.445 2.392 20 0 CEADMP O=C1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CCN1 ZINC000634979468 369009521 /nfs/dbraw/zinc/00/95/21/369009521.db2.gz FCYJCFXCRVNKND-HOCLYGCPSA-N 2 1 293.455 2.042 20 0 CEADMP Nc1ccc(-c2cccc(C[N@H+]3CC[C@@H](C[NH3+])C3)n2)cc1 ZINC000634990891 369020225 /nfs/dbraw/zinc/02/02/25/369020225.db2.gz HGSOUIYOEMHLEQ-ZDUSSCGKSA-N 2 1 282.391 2.111 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1nccs1 ZINC000186736826 369030332 /nfs/dbraw/zinc/03/03/32/369030332.db2.gz CKUUMULXRWXSDK-IJLUTSLNSA-N 2 1 253.415 2.319 20 0 CEADMP C[C@H]1C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000634998963 369032224 /nfs/dbraw/zinc/03/22/24/369032224.db2.gz NOMJNGIINJRAGV-GXTWGEPZSA-N 2 1 270.380 2.103 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000634998963 369032226 /nfs/dbraw/zinc/03/22/26/369032226.db2.gz NOMJNGIINJRAGV-GXTWGEPZSA-N 2 1 270.380 2.103 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccccc2Cl)CC[N@H+]1C ZINC000348403394 369034726 /nfs/dbraw/zinc/03/47/26/369034726.db2.gz LUUVOHZYSIFGSQ-HZSPNIEDSA-N 2 1 296.842 2.488 20 0 CEADMP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1nccn1C ZINC000635003967 369040427 /nfs/dbraw/zinc/04/04/27/369040427.db2.gz CCUAEJTYOWJSRA-ZFWWWQNUSA-N 2 1 272.396 2.031 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccncn1 ZINC000635006138 369042532 /nfs/dbraw/zinc/04/25/32/369042532.db2.gz LBIJYRLUFSFIGC-DZGCQCFKSA-N 2 1 270.380 2.087 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000348297767 368991114 /nfs/dbraw/zinc/99/11/14/368991114.db2.gz CHUXRSWFQFWGKJ-ZMSDIMECSA-N 2 1 275.440 2.047 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000348297767 368991116 /nfs/dbraw/zinc/99/11/16/368991116.db2.gz CHUXRSWFQFWGKJ-ZMSDIMECSA-N 2 1 275.440 2.047 20 0 CEADMP C[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[NH+](C)C ZINC000348695107 369123474 /nfs/dbraw/zinc/12/34/74/369123474.db2.gz IZXSROQBWHERRZ-FZMZJTMJSA-N 2 1 297.830 2.009 20 0 CEADMP CO[C@@H](C)C[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000348836791 369174301 /nfs/dbraw/zinc/17/43/01/369174301.db2.gz YCNLJMUYNUAFBI-LBPRGKRZSA-N 2 1 274.368 2.042 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC000635448741 369177062 /nfs/dbraw/zinc/17/70/62/369177062.db2.gz INFWSCDGSZIUPC-HNNXBMFYSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC000635448741 369177065 /nfs/dbraw/zinc/17/70/65/369177065.db2.gz INFWSCDGSZIUPC-HNNXBMFYSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000635448741 369177071 /nfs/dbraw/zinc/17/70/71/369177071.db2.gz INFWSCDGSZIUPC-HNNXBMFYSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000343616249 216846703 /nfs/dbraw/zinc/84/67/03/216846703.db2.gz URRZUQXSMHSXKZ-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@]1([NH2+]CCCCn2cc[nH+]c2C)CCOC1 ZINC000683041338 541756445 /nfs/dbraw/zinc/75/64/45/541756445.db2.gz JJIQCTDFKSMVTL-AWEZNQCLSA-N 2 1 251.374 2.130 20 0 CEADMP CN(CC[N@@H+](C)C[C@H]1CC=CCC1)C1CC[NH+](C)CC1 ZINC000349083850 369238816 /nfs/dbraw/zinc/23/88/16/369238816.db2.gz ZPMDBEXEWXKEAE-INIZCTEOSA-N 2 1 279.472 2.301 20 0 CEADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@H](O)C[NH+](C)C ZINC000349790018 369402476 /nfs/dbraw/zinc/40/24/76/369402476.db2.gz NBKKSDRKILTTEJ-HOCLYGCPSA-N 2 1 276.424 2.193 20 0 CEADMP O[C@H]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000188839283 369418095 /nfs/dbraw/zinc/41/80/95/369418095.db2.gz XCLRBOYEOLQTAD-WMZOPIPTSA-N 2 1 288.435 2.402 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1C ZINC000358214862 370953397 /nfs/dbraw/zinc/95/33/97/370953397.db2.gz FMRSGSNAZTWRBY-UKRRQHHQSA-N 2 1 262.397 2.433 20 0 CEADMP CCC[C@@H](C[N@H+]1CCCC12CC[NH+](C)CC2)OC ZINC000639082459 370955667 /nfs/dbraw/zinc/95/56/67/370955667.db2.gz RVEILQZMNVSIEN-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(F)cc3)CC[C@H]21 ZINC000246395183 370956411 /nfs/dbraw/zinc/95/64/11/370956411.db2.gz BHXCZCYSKMZCBH-OIISXLGYSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc(F)cc3)CC[C@H]21 ZINC000246395183 370956415 /nfs/dbraw/zinc/95/64/15/370956415.db2.gz BHXCZCYSKMZCBH-OIISXLGYSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3)CC[C@H]21 ZINC000246395183 370956421 /nfs/dbraw/zinc/95/64/21/370956421.db2.gz BHXCZCYSKMZCBH-OIISXLGYSA-N 2 1 292.398 2.275 20 0 CEADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358249665 370971626 /nfs/dbraw/zinc/97/16/26/370971626.db2.gz KTEMPUYCWCPWQT-YOEHRIQHSA-N 2 1 292.423 2.191 20 0 CEADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358249665 370971633 /nfs/dbraw/zinc/97/16/33/370971633.db2.gz KTEMPUYCWCPWQT-YOEHRIQHSA-N 2 1 292.423 2.191 20 0 CEADMP O[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC000189368751 369505999 /nfs/dbraw/zinc/50/59/99/369505999.db2.gz IMEQVUPJQAOOPM-CHWSQXEVSA-N 2 1 294.361 2.250 20 0 CEADMP O[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)CC(F)(F)F ZINC000189368751 369506007 /nfs/dbraw/zinc/50/60/07/369506007.db2.gz IMEQVUPJQAOOPM-CHWSQXEVSA-N 2 1 294.361 2.250 20 0 CEADMP C[N@H+]1CCC[C@H]2CN(Cc3nccs3)CC[C@H]21 ZINC000246538799 370975191 /nfs/dbraw/zinc/97/51/91/370975191.db2.gz JTFSVJMZTOQKCN-NWDGAFQWSA-N 2 1 251.399 2.059 20 0 CEADMP C[N@H+]1CC[C@@H](CC(=O)NCc2ccc(-c3c[nH]cn3)cc2)C1 ZINC000636060733 369488668 /nfs/dbraw/zinc/48/86/68/369488668.db2.gz WLJBRLNSTVCVAW-AWEZNQCLSA-N 2 1 298.390 2.035 20 0 CEADMP Clc1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000358266441 370982806 /nfs/dbraw/zinc/98/28/06/370982806.db2.gz MNKLGZUEPAHROF-KGLIPLIRSA-N 2 1 295.814 2.330 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccn(C(F)F)c2=O)CC1 ZINC000639103946 370980219 /nfs/dbraw/zinc/98/02/19/370980219.db2.gz NFNWSWLRXGEDAV-ZDUSSCGKSA-N 2 1 299.365 2.160 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccn(C(F)F)c2=O)CC1 ZINC000639103946 370980221 /nfs/dbraw/zinc/98/02/21/370980221.db2.gz NFNWSWLRXGEDAV-ZDUSSCGKSA-N 2 1 299.365 2.160 20 0 CEADMP CO[C@](C)(C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C1CC1 ZINC000639104599 370981378 /nfs/dbraw/zinc/98/13/78/370981378.db2.gz POYVPAZWZAOILU-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000358278310 370989354 /nfs/dbraw/zinc/98/93/54/370989354.db2.gz MEARJKYEXDOYBK-AVVWSFFYSA-N 2 1 294.826 2.242 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000358278310 370989355 /nfs/dbraw/zinc/98/93/55/370989355.db2.gz MEARJKYEXDOYBK-AVVWSFFYSA-N 2 1 294.826 2.242 20 0 CEADMP FC(F)COCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000189731446 369563850 /nfs/dbraw/zinc/56/38/50/369563850.db2.gz JGVPNPKNHARTSH-OCCSQVGLSA-N 2 1 288.382 2.217 20 0 CEADMP FC(F)COCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000189731446 369563856 /nfs/dbraw/zinc/56/38/56/369563856.db2.gz JGVPNPKNHARTSH-OCCSQVGLSA-N 2 1 288.382 2.217 20 0 CEADMP FC(F)COCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000189731446 369563863 /nfs/dbraw/zinc/56/38/63/369563863.db2.gz JGVPNPKNHARTSH-OCCSQVGLSA-N 2 1 288.382 2.217 20 0 CEADMP FC(F)COCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000189731446 369563866 /nfs/dbraw/zinc/56/38/66/369563866.db2.gz JGVPNPKNHARTSH-OCCSQVGLSA-N 2 1 288.382 2.217 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000352178076 369665634 /nfs/dbraw/zinc/66/56/34/369665634.db2.gz JKABJPKDBYRYLW-LSDHHAIUSA-N 2 1 283.460 2.001 20 0 CEADMP Cc1cnn([C@@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000352414015 369720247 /nfs/dbraw/zinc/72/02/47/369720247.db2.gz DAVKKAFPPMRMOJ-HZPDHXFCSA-N 2 1 276.428 2.313 20 0 CEADMP Cc1cnn([C@@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)c1 ZINC000352414015 369720251 /nfs/dbraw/zinc/72/02/51/369720251.db2.gz DAVKKAFPPMRMOJ-HZPDHXFCSA-N 2 1 276.428 2.313 20 0 CEADMP Cc1cnn([C@@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)c1 ZINC000352414015 369720254 /nfs/dbraw/zinc/72/02/54/369720254.db2.gz DAVKKAFPPMRMOJ-HZPDHXFCSA-N 2 1 276.428 2.313 20 0 CEADMP O[C@H](C[NH+]1CCC([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000191343480 369703599 /nfs/dbraw/zinc/70/35/99/369703599.db2.gz PJQGCTIILODAFI-QGZVFWFLSA-N 2 1 280.456 2.488 20 0 CEADMP CC(C)N(C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1)C(C)C ZINC000352510438 369765917 /nfs/dbraw/zinc/76/59/17/369765917.db2.gz NAJGXCRMYDQXQS-UHFFFAOYSA-N 2 1 297.487 2.473 20 0 CEADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352510444 369766147 /nfs/dbraw/zinc/76/61/47/369766147.db2.gz NDKVXSOCFKBOKW-OAGGEKHMSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352510444 369766155 /nfs/dbraw/zinc/76/61/55/369766155.db2.gz NDKVXSOCFKBOKW-OAGGEKHMSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCO1 ZINC000352612943 369807980 /nfs/dbraw/zinc/80/79/80/369807980.db2.gz SOUXNWSHAOUGGS-OWCLPIDISA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352644949 369818404 /nfs/dbraw/zinc/81/84/04/369818404.db2.gz QWNHKONYXSPPQG-QWHCGFSZSA-N 2 1 286.370 2.111 20 0 CEADMP C[C@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000192776153 369851859 /nfs/dbraw/zinc/85/18/59/369851859.db2.gz XIKIJCOOZFTTAY-AWEZNQCLSA-N 2 1 277.412 2.001 20 0 CEADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(C)C ZINC000352737002 369860367 /nfs/dbraw/zinc/86/03/67/369860367.db2.gz IKIVUQMWQJCDIE-LERXQTSPSA-N 2 1 297.468 2.354 20 0 CEADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC2(C)COC2)C1 ZINC000352780663 369876842 /nfs/dbraw/zinc/87/68/42/369876842.db2.gz PRBLYLIBEXMHEL-CYBMUJFWSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CC2(C)COC2)C1 ZINC000352780663 369876844 /nfs/dbraw/zinc/87/68/44/369876844.db2.gz PRBLYLIBEXMHEL-CYBMUJFWSA-N 2 1 254.418 2.123 20 0 CEADMP CCSCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352853373 369914281 /nfs/dbraw/zinc/91/42/81/369914281.db2.gz MGBLVZSYSLJGKX-UHFFFAOYSA-N 2 1 273.471 2.438 20 0 CEADMP C[C@H]([NH3+])CCC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000193291616 369919517 /nfs/dbraw/zinc/91/95/17/369919517.db2.gz XBEOLPBLPJENMQ-SMDDNHRTSA-N 2 1 297.830 2.186 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(CC(F)F)c2)CC1 ZINC000353065188 370006798 /nfs/dbraw/zinc/00/67/98/370006798.db2.gz RVZSJAFSNIQPDF-UHFFFAOYSA-N 2 1 298.381 2.208 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(C)c(OC)c1 ZINC000194206300 370015186 /nfs/dbraw/zinc/01/51/86/370015186.db2.gz IOWIIUDHPZIEDN-UHFFFAOYSA-N 2 1 280.412 2.062 20 0 CEADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000637808500 370079588 /nfs/dbraw/zinc/07/95/88/370079588.db2.gz IRZOKXLQWJJONQ-HNNXBMFYSA-N 2 1 275.396 2.219 20 0 CEADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000637808500 370079591 /nfs/dbraw/zinc/07/95/91/370079591.db2.gz IRZOKXLQWJJONQ-HNNXBMFYSA-N 2 1 275.396 2.219 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1C ZINC000637840636 370108942 /nfs/dbraw/zinc/10/89/42/370108942.db2.gz GDJMWVNWQFEZRZ-JKSUJKDBSA-N 2 1 287.407 2.001 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C[N@H+]1C1CC1 ZINC000353535256 370116554 /nfs/dbraw/zinc/11/65/54/370116554.db2.gz VQRUMNJPMSRQPE-IMPMIVQMSA-N 2 1 277.456 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C[NH+]1C1CC1 ZINC000353535256 370116558 /nfs/dbraw/zinc/11/65/58/370116558.db2.gz VQRUMNJPMSRQPE-IMPMIVQMSA-N 2 1 277.456 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C[NH+]1C1CC1 ZINC000353535256 370116560 /nfs/dbraw/zinc/11/65/60/370116560.db2.gz VQRUMNJPMSRQPE-IMPMIVQMSA-N 2 1 277.456 2.074 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CN1C1CC1 ZINC000353535256 370116567 /nfs/dbraw/zinc/11/65/67/370116567.db2.gz VQRUMNJPMSRQPE-IMPMIVQMSA-N 2 1 277.456 2.074 20 0 CEADMP COc1cc(C)[nH+]c(CN(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000214087873 370170614 /nfs/dbraw/zinc/17/06/14/370170614.db2.gz WMBZHSKVCMGFSQ-OAHLLOKOSA-N 2 1 265.401 2.204 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccn2)CCC1 ZINC000353998153 370171497 /nfs/dbraw/zinc/17/14/97/370171497.db2.gz UQCJIYYZKOFXQU-GJZGRUSLSA-N 2 1 273.424 2.433 20 0 CEADMP C[N@@H+](Cc1cccc(F)c1N)C[C@@H]1CCC[NH+](C)C1 ZINC000637930227 370179087 /nfs/dbraw/zinc/17/90/87/370179087.db2.gz LCYHYVNVXLUVNW-GFCCVEGCSA-N 2 1 265.376 2.182 20 0 CEADMP C[N@H+](Cc1cccc(F)c1N)C[C@@H]1CCC[NH+](C)C1 ZINC000637930227 370179090 /nfs/dbraw/zinc/17/90/90/370179090.db2.gz LCYHYVNVXLUVNW-GFCCVEGCSA-N 2 1 265.376 2.182 20 0 CEADMP C[NH+](Cc1cccc(F)c1N)C[C@@H]1CCC[N@H+](C)C1 ZINC000637930227 370179094 /nfs/dbraw/zinc/17/90/94/370179094.db2.gz LCYHYVNVXLUVNW-GFCCVEGCSA-N 2 1 265.376 2.182 20 0 CEADMP C[NH+](Cc1cccc(F)c1N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637930227 370179098 /nfs/dbraw/zinc/17/90/98/370179098.db2.gz LCYHYVNVXLUVNW-GFCCVEGCSA-N 2 1 265.376 2.182 20 0 CEADMP CC[C@H](C(=O)NCC[N@@H+](C)C1CCCC1)[NH+](CC)CC ZINC000353771296 370124935 /nfs/dbraw/zinc/12/49/35/370124935.db2.gz JECGNRJJUXNYAD-OAHLLOKOSA-N 2 1 283.460 2.097 20 0 CEADMP [NH2+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC1CCCC1 ZINC000195522119 370136617 /nfs/dbraw/zinc/13/66/17/370136617.db2.gz CMNMXRLCTQKWSC-AWEZNQCLSA-N 2 1 290.411 2.473 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]1C ZINC000353924385 370138877 /nfs/dbraw/zinc/13/88/77/370138877.db2.gz BXOPBDVIUDWJGV-QMHWVQJVSA-N 2 1 294.439 2.181 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1CCCCO1 ZINC000211932965 370164349 /nfs/dbraw/zinc/16/43/49/370164349.db2.gz AAVKJFQKARORIW-KRWDZBQOSA-N 2 1 274.408 2.333 20 0 CEADMP Cc1n[nH]c(C)c1CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000354088414 370212535 /nfs/dbraw/zinc/21/25/35/370212535.db2.gz PEOAZCYTJLUPEO-HNNXBMFYSA-N 2 1 276.428 2.190 20 0 CEADMP Cc1n[nH]c(C)c1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000354088414 370212537 /nfs/dbraw/zinc/21/25/37/370212537.db2.gz PEOAZCYTJLUPEO-HNNXBMFYSA-N 2 1 276.428 2.190 20 0 CEADMP Cc1n[nH]c(C)c1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000354088414 370212539 /nfs/dbraw/zinc/21/25/39/370212539.db2.gz PEOAZCYTJLUPEO-HNNXBMFYSA-N 2 1 276.428 2.190 20 0 CEADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000354088414 370212541 /nfs/dbraw/zinc/21/25/41/370212541.db2.gz PEOAZCYTJLUPEO-HNNXBMFYSA-N 2 1 276.428 2.190 20 0 CEADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000354088414 370212543 /nfs/dbraw/zinc/21/25/43/370212543.db2.gz PEOAZCYTJLUPEO-HNNXBMFYSA-N 2 1 276.428 2.190 20 0 CEADMP CC[NH+](CC)[C@@H](CNc1cc[nH+]c(N(C)C)n1)CC(C)C ZINC000354103310 370217564 /nfs/dbraw/zinc/21/75/64/370217564.db2.gz UWCPMHFJDAVSPE-CQSZACIVSA-N 2 1 293.459 2.133 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000221858067 370246159 /nfs/dbraw/zinc/24/61/59/370246159.db2.gz UQEJMLABWKREAT-NILFDRSVSA-N 2 1 282.815 2.446 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@](C)(CC)OC)C1 ZINC000638122182 370319124 /nfs/dbraw/zinc/31/91/24/370319124.db2.gz JCGDCEQXJUSPHO-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222883818 370258035 /nfs/dbraw/zinc/25/80/35/370258035.db2.gz YSHKJDCNOYEAJD-RBSFLKMASA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222883818 370258039 /nfs/dbraw/zinc/25/80/39/370258039.db2.gz YSHKJDCNOYEAJD-RBSFLKMASA-N 3 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222883818 370258043 /nfs/dbraw/zinc/25/80/43/370258043.db2.gz YSHKJDCNOYEAJD-RBSFLKMASA-N 3 1 253.434 2.110 20 0 CEADMP CC(C)CC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000638058796 370273374 /nfs/dbraw/zinc/27/33/74/370273374.db2.gz WOKXNDSJMKOIJH-CABCVRRESA-N 2 1 283.460 2.131 20 0 CEADMP CC(C)CC[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000638066776 370276839 /nfs/dbraw/zinc/27/68/39/370276839.db2.gz LUBUFXYPAYRKLQ-HOTGVXAUSA-N 2 1 297.487 2.378 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000224539878 370280275 /nfs/dbraw/zinc/28/02/75/370280275.db2.gz VMLFPCADOGSULV-UHFFFAOYSA-N 2 1 278.396 2.293 20 0 CEADMP COC(=O)c1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000224539878 370280281 /nfs/dbraw/zinc/28/02/81/370280281.db2.gz VMLFPCADOGSULV-UHFFFAOYSA-N 2 1 278.396 2.293 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@H]2CCO2)C[C@H]1C ZINC000638108713 370305714 /nfs/dbraw/zinc/30/57/14/370305714.db2.gz AHUQENZQDGYLRV-ILXRZTDVSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC[C@H]2CCO2)C[C@H]1C ZINC000638108713 370305721 /nfs/dbraw/zinc/30/57/21/370305721.db2.gz AHUQENZQDGYLRV-ILXRZTDVSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC[C@H]2CCO2)C[C@H]1C ZINC000638108713 370305724 /nfs/dbraw/zinc/30/57/24/370305724.db2.gz AHUQENZQDGYLRV-ILXRZTDVSA-N 2 1 254.418 2.360 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@@H]2CCO2)[C@H](C)C1 ZINC000638114706 370310491 /nfs/dbraw/zinc/31/04/91/370310491.db2.gz XTPKWJFWBJIDHY-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@H](C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C)OC ZINC000638113538 370310792 /nfs/dbraw/zinc/31/07/92/370310792.db2.gz PATWLNJSXXUAHN-ZNMIVQPWSA-N 2 1 256.434 2.464 20 0 CEADMP CCC[C@H](C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C)OC ZINC000638113538 370310798 /nfs/dbraw/zinc/31/07/98/370310798.db2.gz PATWLNJSXXUAHN-ZNMIVQPWSA-N 2 1 256.434 2.464 20 0 CEADMP CCC[C@H](C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)OC ZINC000638113538 370310801 /nfs/dbraw/zinc/31/08/01/370310801.db2.gz PATWLNJSXXUAHN-ZNMIVQPWSA-N 2 1 256.434 2.464 20 0 CEADMP CCC[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)OC ZINC000638178731 370358920 /nfs/dbraw/zinc/35/89/20/370358920.db2.gz PFGQQLWEUQZBKK-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)OC ZINC000638178731 370358922 /nfs/dbraw/zinc/35/89/22/370358922.db2.gz PFGQQLWEUQZBKK-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP CCC[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)OC ZINC000638178731 370358924 /nfs/dbraw/zinc/35/89/24/370358924.db2.gz PFGQQLWEUQZBKK-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@](C)(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000638177446 370359022 /nfs/dbraw/zinc/35/90/22/370359022.db2.gz KWAQLEAKSLVYAP-VNQPRFMTSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@](C)(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000638177446 370359023 /nfs/dbraw/zinc/35/90/23/370359023.db2.gz KWAQLEAKSLVYAP-VNQPRFMTSA-N 2 1 266.429 2.218 20 0 CEADMP CO[C@](C)(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1CC1 ZINC000638177446 370359024 /nfs/dbraw/zinc/35/90/24/370359024.db2.gz KWAQLEAKSLVYAP-VNQPRFMTSA-N 2 1 266.429 2.218 20 0 CEADMP O=c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c[nH]1 ZINC000638178794 370360008 /nfs/dbraw/zinc/36/00/08/370360008.db2.gz GXPPZXRGDBLDMK-GDBMZVCRSA-N 2 1 287.407 2.236 20 0 CEADMP O=c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c[nH]1 ZINC000638178794 370360012 /nfs/dbraw/zinc/36/00/12/370360012.db2.gz GXPPZXRGDBLDMK-GDBMZVCRSA-N 2 1 287.407 2.236 20 0 CEADMP O=c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c[nH]1 ZINC000638178794 370360018 /nfs/dbraw/zinc/36/00/18/370360018.db2.gz GXPPZXRGDBLDMK-GDBMZVCRSA-N 2 1 287.407 2.236 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)OC ZINC000638184656 370364142 /nfs/dbraw/zinc/36/41/42/370364142.db2.gz ZISVXJIWTVLRRA-VIQHNZTISA-N 2 1 298.471 2.231 20 0 CEADMP CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000354509843 370391871 /nfs/dbraw/zinc/39/18/71/370391871.db2.gz LGTUTKDMGLNKLG-KGLIPLIRSA-N 2 1 264.417 2.426 20 0 CEADMP C[C@H](Cn1ccnc1)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227538344 370372207 /nfs/dbraw/zinc/37/22/07/370372207.db2.gz IPFNBGJVPQBOBU-DFBGVHRSSA-N 3 1 256.353 2.006 20 0 CEADMP c1ccc2c(c1)COC[C@@H]2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000226006169 370326919 /nfs/dbraw/zinc/32/69/19/370326919.db2.gz JUKSZUUZYABFBN-UXLLHSPISA-N 2 1 272.392 2.474 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2CCSCC2)C1 ZINC000638134262 370327258 /nfs/dbraw/zinc/32/72/58/370327258.db2.gz NPGBKIFOWGRTAN-CQSZACIVSA-N 2 1 256.459 2.403 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2CCSCC2)C1 ZINC000638134262 370327261 /nfs/dbraw/zinc/32/72/61/370327261.db2.gz NPGBKIFOWGRTAN-CQSZACIVSA-N 2 1 256.459 2.403 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2CCSCC2)C1 ZINC000638134262 370327266 /nfs/dbraw/zinc/32/72/66/370327266.db2.gz NPGBKIFOWGRTAN-CQSZACIVSA-N 2 1 256.459 2.403 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000354351586 370327473 /nfs/dbraw/zinc/32/74/73/370327473.db2.gz LSEHDELNWSVXTH-ZIAGYGMSSA-N 2 1 284.444 2.428 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@](C)(OC)C2CC2)C1 ZINC000638136373 370331161 /nfs/dbraw/zinc/33/11/61/370331161.db2.gz YJMVXNUKMIMRIV-IAGOWNOFSA-N 2 1 298.471 2.234 20 0 CEADMP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000638291527 370427705 /nfs/dbraw/zinc/42/77/05/370427705.db2.gz QMKGPSUXPHVSJX-LSDHHAIUSA-N 2 1 295.471 2.288 20 0 CEADMP Nc1c(F)cccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000638320517 370444173 /nfs/dbraw/zinc/44/41/73/370444173.db2.gz BPYAPIFRVCPRBH-UHFFFAOYSA-N 2 1 263.360 2.124 20 0 CEADMP CC[C@@H](C[NH2+]CCC1CCOCC1)[NH+]1CCCC1 ZINC000638353961 370464213 /nfs/dbraw/zinc/46/42/13/370464213.db2.gz FWKUFNZICALZMT-HNNXBMFYSA-N 2 1 254.418 2.267 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(-c4ccco4)on3)C[C@@H]21 ZINC000230049334 370438377 /nfs/dbraw/zinc/43/83/77/370438377.db2.gz SKXYMYLOJMKSGQ-KWCYVHTRSA-N 2 1 287.363 2.494 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4ccco4)on3)C[C@@H]21 ZINC000230049334 370438379 /nfs/dbraw/zinc/43/83/79/370438379.db2.gz SKXYMYLOJMKSGQ-KWCYVHTRSA-N 2 1 287.363 2.494 20 0 CEADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000231426300 370479725 /nfs/dbraw/zinc/47/97/25/370479725.db2.gz ZTVRTYWWJZPNPQ-AWEZNQCLSA-N 2 1 295.858 2.108 20 0 CEADMP CC[N@H+]1CC[C@H](CNCc2cc(OC)c(O)cc2Cl)C1 ZINC000638381946 370488183 /nfs/dbraw/zinc/48/81/83/370488183.db2.gz QVGNHLYVQRPEBM-LLVKDONJSA-N 2 1 298.814 2.486 20 0 CEADMP CC[NH+](CC)[C@H](C)CN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000355327866 370553252 /nfs/dbraw/zinc/55/32/52/370553252.db2.gz GWTVHDPWADARTL-ZNMIVQPWSA-N 2 1 255.450 2.037 20 0 CEADMP CO[C@@](C)(C[NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000638558393 370604340 /nfs/dbraw/zinc/60/43/40/370604340.db2.gz XENUEQMPGLTYFI-INIZCTEOSA-N 2 1 296.455 2.036 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CS1 ZINC000638558659 370604975 /nfs/dbraw/zinc/60/49/75/370604975.db2.gz ZTSJFKCKGXSXSG-ZIAGYGMSSA-N 2 1 284.469 2.115 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000235735165 370577081 /nfs/dbraw/zinc/57/70/81/370577081.db2.gz MIJMOSPUSZRPRP-MRXNPFEDSA-N 2 1 255.365 2.406 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]CCC[C@H]1CCO1 ZINC000638578811 370617876 /nfs/dbraw/zinc/61/78/76/370617876.db2.gz JHFLVACVTVKTHU-ZNMIVQPWSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]CCC[C@H]1CCO1 ZINC000638578811 370617879 /nfs/dbraw/zinc/61/78/79/370617879.db2.gz JHFLVACVTVKTHU-ZNMIVQPWSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000638589086 370622159 /nfs/dbraw/zinc/62/21/59/370622159.db2.gz QTIXHMGBRQUFGB-BZUAXINKSA-N 2 1 295.471 2.288 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000638589086 370622161 /nfs/dbraw/zinc/62/21/61/370622161.db2.gz QTIXHMGBRQUFGB-BZUAXINKSA-N 2 1 295.471 2.288 20 0 CEADMP COc1ncc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000639176172 371051393 /nfs/dbraw/zinc/05/13/93/371051393.db2.gz CUVSPDZBYZKPMW-ZDUSSCGKSA-N 2 1 295.452 2.315 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000358351883 371029472 /nfs/dbraw/zinc/02/94/72/371029472.db2.gz LZKQLNYRWQPFDY-IUODEOHRSA-N 2 1 272.396 2.035 20 0 CEADMP CC[C@](C)(C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC000639162124 371035822 /nfs/dbraw/zinc/03/58/22/371035822.db2.gz LDTGXMKEMWSUNN-IZGVIRRGSA-N 2 1 254.418 2.359 20 0 CEADMP CC[C@](C)(C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000639162124 371035825 /nfs/dbraw/zinc/03/58/25/371035825.db2.gz LDTGXMKEMWSUNN-IZGVIRRGSA-N 2 1 254.418 2.359 20 0 CEADMP CC[C@](C)(C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000639162124 371035830 /nfs/dbraw/zinc/03/58/30/371035830.db2.gz LDTGXMKEMWSUNN-IZGVIRRGSA-N 2 1 254.418 2.359 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(CO)cc3)C2)CC1 ZINC000639176964 371052388 /nfs/dbraw/zinc/05/23/88/371052388.db2.gz NGZVPBJGQICYHI-GOSISDBHSA-N 2 1 288.435 2.343 20 0 CEADMP CO[C@@](C)(C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000639170298 371042905 /nfs/dbraw/zinc/04/29/05/371042905.db2.gz SEULEHZRUXKXLD-HIFRSBDPSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)sn1 ZINC000639178161 371057038 /nfs/dbraw/zinc/05/70/38/371057038.db2.gz IXAXJRDXVHHMPN-JSGCOSHPSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)sn1 ZINC000639178161 371057040 /nfs/dbraw/zinc/05/70/40/371057040.db2.gz IXAXJRDXVHHMPN-JSGCOSHPSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)sn1 ZINC000639178161 371057045 /nfs/dbraw/zinc/05/70/45/371057045.db2.gz IXAXJRDXVHHMPN-JSGCOSHPSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)sn1 ZINC000639178161 371057047 /nfs/dbraw/zinc/05/70/47/371057047.db2.gz IXAXJRDXVHHMPN-JSGCOSHPSA-N 2 1 265.426 2.368 20 0 CEADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000247111096 371065920 /nfs/dbraw/zinc/06/59/20/371065920.db2.gz PFOFOKOTXMLRKI-GOEBONIOSA-N 2 1 267.461 2.179 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)ccn1 ZINC000639190062 371069978 /nfs/dbraw/zinc/06/99/78/371069978.db2.gz TZGFOIJNSDCPQI-KBPBESRZSA-N 2 1 279.428 2.340 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)ccn1 ZINC000639190062 371069982 /nfs/dbraw/zinc/06/99/82/371069982.db2.gz TZGFOIJNSDCPQI-KBPBESRZSA-N 2 1 279.428 2.340 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639198815 371084131 /nfs/dbraw/zinc/08/41/31/371084131.db2.gz SRLBJCPBUPRDKH-RRFJBIMHSA-N 2 1 283.460 2.144 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639198815 371084135 /nfs/dbraw/zinc/08/41/35/371084135.db2.gz SRLBJCPBUPRDKH-RRFJBIMHSA-N 2 1 283.460 2.144 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)CC[N@H+]1C ZINC000639236505 371129791 /nfs/dbraw/zinc/12/97/91/371129791.db2.gz SOGOARREMIJHBY-BMFZPTHFSA-N 2 1 299.422 2.009 20 0 CEADMP CC(C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248410478 371188836 /nfs/dbraw/zinc/18/88/36/371188836.db2.gz HGBOWTYHWZEXHF-BRWVUGGUSA-N 2 1 288.435 2.258 20 0 CEADMP Cc1cc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc(C)n1 ZINC000639273590 371176420 /nfs/dbraw/zinc/17/64/20/371176420.db2.gz SMJDQTWGFHJOEB-UHFFFAOYSA-N 2 1 291.439 2.023 20 0 CEADMP OC/C=C/C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639309198 371216120 /nfs/dbraw/zinc/21/61/20/371216120.db2.gz QKMZVYPDITXQIK-FPZRGXOSSA-N 2 1 286.419 2.493 20 0 CEADMP OC/C=C/C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639309198 371216126 /nfs/dbraw/zinc/21/61/26/371216126.db2.gz QKMZVYPDITXQIK-FPZRGXOSSA-N 2 1 286.419 2.493 20 0 CEADMP CC(C)C1(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000639335124 371245285 /nfs/dbraw/zinc/24/52/85/371245285.db2.gz MPDWJCJPLRKZBF-OAHLLOKOSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000249154203 371302361 /nfs/dbraw/zinc/30/23/61/371302361.db2.gz VYRLSIZZLREDQY-OAGGEKHMSA-N 2 1 268.445 2.369 20 0 CEADMP CC1CC[NH+](CCCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000249299996 371311662 /nfs/dbraw/zinc/31/16/62/371311662.db2.gz GCYBOWFTCWZFSA-BRWVUGGUSA-N 2 1 281.488 2.427 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000249299996 371311670 /nfs/dbraw/zinc/31/16/70/371311670.db2.gz GCYBOWFTCWZFSA-BRWVUGGUSA-N 3 1 281.488 2.427 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000249299996 371311676 /nfs/dbraw/zinc/31/16/76/371311676.db2.gz GCYBOWFTCWZFSA-BRWVUGGUSA-N 3 1 281.488 2.427 20 0 CEADMP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC000249374788 371317149 /nfs/dbraw/zinc/31/71/49/371317149.db2.gz PNGNNAZNRUYTIS-OLZOCXBDSA-N 2 1 294.361 2.108 20 0 CEADMP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)CC(F)(F)F ZINC000249374788 371317150 /nfs/dbraw/zinc/31/71/50/371317150.db2.gz PNGNNAZNRUYTIS-OLZOCXBDSA-N 2 1 294.361 2.108 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000359117249 371343818 /nfs/dbraw/zinc/34/38/18/371343818.db2.gz SBRLTKKKPFHMGO-UHFFFAOYSA-N 2 1 296.484 2.432 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000639544337 371395462 /nfs/dbraw/zinc/39/54/62/371395462.db2.gz WILWHAPUMJLYER-KLZNWCGWSA-N 2 1 278.440 2.360 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000639544337 371395467 /nfs/dbraw/zinc/39/54/67/371395467.db2.gz WILWHAPUMJLYER-KLZNWCGWSA-N 2 1 278.440 2.360 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000639544337 371395471 /nfs/dbraw/zinc/39/54/71/371395471.db2.gz WILWHAPUMJLYER-KLZNWCGWSA-N 2 1 278.440 2.360 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CC[C@H]1[NH3+] ZINC000251597140 371407755 /nfs/dbraw/zinc/40/77/55/371407755.db2.gz CZFQATUTYZXDHS-IUODEOHRSA-N 2 1 255.365 2.404 20 0 CEADMP COCCCOCC[N@@H+](C)Cc1c(C)cc(C)nc1C ZINC000639561048 371408183 /nfs/dbraw/zinc/40/81/83/371408183.db2.gz KAAFPRSOBBNVNI-UHFFFAOYSA-N 2 1 280.412 2.492 20 0 CEADMP COCCCOCCN(C)Cc1c(C)cc(C)nc1C ZINC000639561048 371408185 /nfs/dbraw/zinc/40/81/85/371408185.db2.gz KAAFPRSOBBNVNI-UHFFFAOYSA-N 2 1 280.412 2.492 20 0 CEADMP COC[C@@H](C)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000249966458 371373377 /nfs/dbraw/zinc/37/33/77/371373377.db2.gz WXXWULDVMLPTFA-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2COc3ccccc32)CC[N@H+]1C ZINC000252202320 371434768 /nfs/dbraw/zinc/43/47/68/371434768.db2.gz WMYHHUIDPTVTBR-HZSPNIEDSA-N 2 1 260.381 2.235 20 0 CEADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252560792 371456642 /nfs/dbraw/zinc/45/66/42/371456642.db2.gz VZRQQZXVRKWSRZ-XFIYOXNOSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252560792 371456645 /nfs/dbraw/zinc/45/66/45/371456645.db2.gz VZRQQZXVRKWSRZ-XFIYOXNOSA-N 2 1 266.429 2.264 20 0 CEADMP CCc1ccc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252667554 371464712 /nfs/dbraw/zinc/46/47/12/371464712.db2.gz LHKMMZJGWZCJPC-IRXDYDNUSA-N 2 1 274.408 2.202 20 0 CEADMP CCc1ccc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000252667554 371464719 /nfs/dbraw/zinc/46/47/19/371464719.db2.gz LHKMMZJGWZCJPC-IRXDYDNUSA-N 2 1 274.408 2.202 20 0 CEADMP COCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252710199 371470790 /nfs/dbraw/zinc/47/07/90/371470790.db2.gz FZEIWCZPUZLDDO-CZUORRHYSA-N 2 1 262.397 2.263 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC000639657115 371473637 /nfs/dbraw/zinc/47/36/37/371473637.db2.gz VRLVXKNRWGIGFM-HOCLYGCPSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC000639657115 371473640 /nfs/dbraw/zinc/47/36/40/371473640.db2.gz VRLVXKNRWGIGFM-HOCLYGCPSA-N 2 1 266.429 2.219 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252783494 371478414 /nfs/dbraw/zinc/47/84/14/371478414.db2.gz SRMZUNCMJJHXPS-GJZGRUSLSA-N 2 1 283.460 2.084 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252783494 371478415 /nfs/dbraw/zinc/47/84/15/371478415.db2.gz SRMZUNCMJJHXPS-GJZGRUSLSA-N 2 1 283.460 2.084 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H]3CC(C)(C)CO3)C2)CC1 ZINC000639754779 371544314 /nfs/dbraw/zinc/54/43/14/371544314.db2.gz AMWNLTRFOSHPKX-AWEZNQCLSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCC(C)(C)C)C1 ZINC000639761338 371548656 /nfs/dbraw/zinc/54/86/56/371548656.db2.gz AMXZMVAAHBLBFD-OAHLLOKOSA-N 2 1 256.434 2.201 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3ccccc3)C2)CC1 ZINC000639760347 371548793 /nfs/dbraw/zinc/54/87/93/371548793.db2.gz VRLCSUFKCIQUHB-UHFFFAOYSA-N 2 1 287.407 2.043 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760663 371548839 /nfs/dbraw/zinc/54/88/39/371548839.db2.gz ZDDKELVELIUJBC-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCc1nnc([C@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC000639758999 371549124 /nfs/dbraw/zinc/54/91/24/371549124.db2.gz ZKCVADORENJUOX-LBPRGKRZSA-N 2 1 278.400 2.111 20 0 CEADMP C[C@@H](CCc1ccccc1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761375 371550752 /nfs/dbraw/zinc/55/07/52/371550752.db2.gz HGLNLEBPJCWDCG-WMZOPIPTSA-N 2 1 290.451 2.396 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000639766309 371554515 /nfs/dbraw/zinc/55/45/15/371554515.db2.gz LTGYCZPQBKZKCX-CVEARBPZSA-N 2 1 266.429 2.264 20 0 CEADMP c1cc(N2CCC[N@H+](C[C@H]3CCCOC3)CC2)cc[nH+]1 ZINC000639683339 371493315 /nfs/dbraw/zinc/49/33/15/371493315.db2.gz XLYCPKZAHTVEOU-OAHLLOKOSA-N 2 1 275.396 2.020 20 0 CEADMP Cc1nc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000360985225 371582040 /nfs/dbraw/zinc/58/20/40/371582040.db2.gz GLRXUEZLAXVWAZ-GFCCVEGCSA-N 2 1 296.484 2.128 20 0 CEADMP Cc1nc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC000360985225 371582046 /nfs/dbraw/zinc/58/20/46/371582046.db2.gz GLRXUEZLAXVWAZ-GFCCVEGCSA-N 2 1 296.484 2.128 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000360987470 371582967 /nfs/dbraw/zinc/58/29/67/371582967.db2.gz PZDIBTNHCUMQLB-BRWVUGGUSA-N 2 1 298.471 2.140 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261604110 371672878 /nfs/dbraw/zinc/67/28/78/371672878.db2.gz ATCAWVJMJXTBAB-MRXNPFEDSA-N 2 1 293.386 2.133 20 0 CEADMP CC[C@](C)([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(F)cc1 ZINC000639927688 371676882 /nfs/dbraw/zinc/67/68/82/371676882.db2.gz GXENBJVALJIXEK-SJORKVTESA-N 2 1 294.414 2.496 20 0 CEADMP CC[C@](C)([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000639927688 371676885 /nfs/dbraw/zinc/67/68/85/371676885.db2.gz GXENBJVALJIXEK-SJORKVTESA-N 2 1 294.414 2.496 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000259149073 371622855 /nfs/dbraw/zinc/62/28/55/371622855.db2.gz UWDWTRUOBKTYGJ-ZJUUUORDSA-N 2 1 275.215 2.480 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000261559511 371647411 /nfs/dbraw/zinc/64/74/11/371647411.db2.gz UDEBSPJYWSDRGL-SWLSCSKDSA-N 2 1 255.365 2.404 20 0 CEADMP C[NH2+]C1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000261699240 371705275 /nfs/dbraw/zinc/70/52/75/371705275.db2.gz IJJCABCSCOELDK-UHFFFAOYSA-N 2 1 270.380 2.056 20 0 CEADMP Cc1cccc(OCC[N@H+](C)C[C@]2(C)CC[NH2+]C2)c1 ZINC000261749376 371719291 /nfs/dbraw/zinc/71/92/91/371719291.db2.gz JMXPZQMPNGILIS-MRXNPFEDSA-N 2 1 262.397 2.305 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](CCOCC(C)C)CC1 ZINC000640015452 371735351 /nfs/dbraw/zinc/73/53/51/371735351.db2.gz IXYLLBRRYXEVHT-UHFFFAOYSA-N 2 1 256.434 2.465 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261635636 371686184 /nfs/dbraw/zinc/68/61/84/371686184.db2.gz FIJSBDIINUKNSL-QGZVFWFLSA-N 2 1 291.439 2.202 20 0 CEADMP CCc1nc(N2CCC([C@@H]3CCC[NH2+]3)CC2)cc(C)[nH+]1 ZINC000261674633 371699729 /nfs/dbraw/zinc/69/97/29/371699729.db2.gz GFCXGCMLLQEUIW-AWEZNQCLSA-N 2 1 274.412 2.316 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(C)C ZINC000337345637 214021378 /nfs/dbraw/zinc/02/13/78/214021378.db2.gz LKQDCUKCLPHNBU-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(C)C ZINC000337345637 214021380 /nfs/dbraw/zinc/02/13/80/214021380.db2.gz LKQDCUKCLPHNBU-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(C)C ZINC000337345637 214021382 /nfs/dbraw/zinc/02/13/82/214021382.db2.gz LKQDCUKCLPHNBU-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000337345636 214021502 /nfs/dbraw/zinc/02/15/02/214021502.db2.gz LKQDCUKCLPHNBU-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000337345636 214021506 /nfs/dbraw/zinc/02/15/06/214021506.db2.gz LKQDCUKCLPHNBU-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000337345636 214021508 /nfs/dbraw/zinc/02/15/08/214021508.db2.gz LKQDCUKCLPHNBU-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261841090 371748527 /nfs/dbraw/zinc/74/85/27/371748527.db2.gz VPSPQCJZVIMAEG-DLBZAZTESA-N 2 1 273.424 2.117 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261850961 371750232 /nfs/dbraw/zinc/75/02/32/371750232.db2.gz MYKMXSPHWATFKB-CVEARBPZSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261918538 371771060 /nfs/dbraw/zinc/77/10/60/371771060.db2.gz KEXMRXGWYOKLLE-SWLSCSKDSA-N 2 1 299.422 2.053 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000361325497 371785050 /nfs/dbraw/zinc/78/50/50/371785050.db2.gz NJEDTAFAWDEHEP-JKSUJKDBSA-N 2 1 265.445 2.031 20 0 CEADMP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261997146 371794620 /nfs/dbraw/zinc/79/46/20/371794620.db2.gz KWDPRCFXWFBTND-QGZVFWFLSA-N 2 1 282.391 2.262 20 0 CEADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261997146 371794625 /nfs/dbraw/zinc/79/46/25/371794625.db2.gz KWDPRCFXWFBTND-QGZVFWFLSA-N 2 1 282.391 2.262 20 0 CEADMP C[C@@H]1COc2ccccc2C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262003805 371797318 /nfs/dbraw/zinc/79/73/18/371797318.db2.gz UKJRPOHWDLCMFC-ZIAGYGMSSA-N 2 1 260.381 2.269 20 0 CEADMP C[C@@H]1COc2ccccc2C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262003805 371797320 /nfs/dbraw/zinc/79/73/20/371797320.db2.gz UKJRPOHWDLCMFC-ZIAGYGMSSA-N 2 1 260.381 2.269 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000640102997 371815516 /nfs/dbraw/zinc/81/55/16/371815516.db2.gz VEFNDJOLCHNBNT-WCVJEAGWSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000640102997 371815524 /nfs/dbraw/zinc/81/55/24/371815524.db2.gz VEFNDJOLCHNBNT-WCVJEAGWSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000640102997 371815531 /nfs/dbraw/zinc/81/55/31/371815531.db2.gz VEFNDJOLCHNBNT-WCVJEAGWSA-N 2 1 266.429 2.096 20 0 CEADMP COc1ccc([C@@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000262075236 371819525 /nfs/dbraw/zinc/81/95/25/371819525.db2.gz SLQHHAPDYATAMV-WBVHZDCISA-N 2 1 274.408 2.484 20 0 CEADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000262082630 371819697 /nfs/dbraw/zinc/81/96/97/371819697.db2.gz TZOJCHHFRBUJED-IAGOWNOFSA-N 2 1 258.409 2.475 20 0 CEADMP COc1ccc([C@H]2CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000262075227 371819764 /nfs/dbraw/zinc/81/97/64/371819764.db2.gz SLQHHAPDYATAMV-DOTOQJQBSA-N 2 1 274.408 2.484 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000262087925 371821741 /nfs/dbraw/zinc/82/17/41/371821741.db2.gz GLQLLQAHVUOHJU-HUUCEWRRSA-N 2 1 262.397 2.351 20 0 CEADMP CCCc1cccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262128058 371827651 /nfs/dbraw/zinc/82/76/51/371827651.db2.gz NKQOOCFATCBYMN-SFHVURJKSA-N 2 1 287.451 2.119 20 0 CEADMP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H]1CCCn2nccc21 ZINC000640216514 371873979 /nfs/dbraw/zinc/87/39/79/371873979.db2.gz BKZHEPMHMHHBDS-KBPBESRZSA-N 2 1 262.401 2.182 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H]1CCCn2nccc21 ZINC000640216514 371873985 /nfs/dbraw/zinc/87/39/85/371873985.db2.gz BKZHEPMHMHHBDS-KBPBESRZSA-N 2 1 262.401 2.182 20 0 CEADMP CC1=C(C)C[NH+](CC(O)C[N@@H+]2CCC(C)=C(C)C2)CC1 ZINC000361619906 371982232 /nfs/dbraw/zinc/98/22/32/371982232.db2.gz OVWZDEZRIHKAPE-UHFFFAOYSA-N 2 1 278.440 2.432 20 0 CEADMP CC1=C(C)C[NH+](CC(O)C[N@H+]2CCC(C)=C(C)C2)CC1 ZINC000361619906 371982236 /nfs/dbraw/zinc/98/22/36/371982236.db2.gz OVWZDEZRIHKAPE-UHFFFAOYSA-N 2 1 278.440 2.432 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@](C)(O)C(F)(F)F ZINC000640533048 372021961 /nfs/dbraw/zinc/02/19/61/372021961.db2.gz AQVRIHFJDLPEMX-CYBMUJFWSA-N 2 1 296.377 2.498 20 0 CEADMP CCCCOCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361685339 372022993 /nfs/dbraw/zinc/02/29/93/372022993.db2.gz DNXKVWGOADLOOC-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCCCOCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000361685339 372022994 /nfs/dbraw/zinc/02/29/94/372022994.db2.gz DNXKVWGOADLOOC-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCCCOCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361685339 372023000 /nfs/dbraw/zinc/02/30/00/372023000.db2.gz DNXKVWGOADLOOC-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[N@@H+](CC[C@H](C)F)CCN1CC[NH+](CC)CC1 ZINC000344162093 217081926 /nfs/dbraw/zinc/08/19/26/217081926.db2.gz YSGYLMIEFJQLBY-HNNXBMFYSA-N 2 1 273.440 2.084 20 0 CEADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)[C@H]1CCOC1 ZINC000361828667 372087645 /nfs/dbraw/zinc/08/76/45/372087645.db2.gz LXSATHLBQPPPEB-INIZCTEOSA-N 2 1 271.364 2.401 20 0 CEADMP CCn1cc([C@H](C)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cn1 ZINC000361979340 372157004 /nfs/dbraw/zinc/15/70/04/372157004.db2.gz AGQGNFYAKDTSES-HUBLWGQQSA-N 2 1 262.401 2.036 20 0 CEADMP CCn1cc([C@H](C)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cn1 ZINC000361979340 372157013 /nfs/dbraw/zinc/15/70/13/372157013.db2.gz AGQGNFYAKDTSES-HUBLWGQQSA-N 2 1 262.401 2.036 20 0 CEADMP CCC[C@@]1(CO)CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000344278240 217131179 /nfs/dbraw/zinc/13/11/79/217131179.db2.gz FRCHFBKHKDNMBZ-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP CCC[C@@]1(CO)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000344278240 217131181 /nfs/dbraw/zinc/13/11/81/217131181.db2.gz FRCHFBKHKDNMBZ-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP CCC[C@@]1(CO)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000344278240 217131182 /nfs/dbraw/zinc/13/11/82/217131182.db2.gz FRCHFBKHKDNMBZ-JKSUJKDBSA-N 2 1 268.445 2.345 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)CO)cc1 ZINC000268836376 372248040 /nfs/dbraw/zinc/24/80/40/372248040.db2.gz LWZGVHRKEATFMZ-OLZOCXBDSA-N 2 1 273.380 2.460 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cn1 ZINC000268843102 372251822 /nfs/dbraw/zinc/25/18/22/372251822.db2.gz IEPZHENGDOWPMB-GFCCVEGCSA-N 2 1 261.373 2.149 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000268847795 372253369 /nfs/dbraw/zinc/25/33/69/372253369.db2.gz PBCBLOAIXFTSDB-UNEWFSDZSA-N 2 1 294.414 2.049 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000641168745 372362871 /nfs/dbraw/zinc/36/28/71/372362871.db2.gz IQYCWZLIVJRVMI-CABCVRRESA-N 2 1 291.443 2.008 20 0 CEADMP c1cn2c(cccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000362652276 372472473 /nfs/dbraw/zinc/47/24/73/372472473.db2.gz DAICDNBNSBQNHT-UONOGXRCSA-N 2 1 270.380 2.051 20 0 CEADMP c1cn2c(cccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000362652276 372472480 /nfs/dbraw/zinc/47/24/80/372472480.db2.gz DAICDNBNSBQNHT-UONOGXRCSA-N 2 1 270.380 2.051 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362931064 372578882 /nfs/dbraw/zinc/57/88/82/372578882.db2.gz PEMPIDRERAJLDF-UHFFFAOYSA-N 2 1 293.386 2.365 20 0 CEADMP Fc1cnccc1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000641673054 372619438 /nfs/dbraw/zinc/61/94/38/372619438.db2.gz JWAIGKFIMALGCD-ZDUSSCGKSA-N 2 1 263.360 2.177 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccncc1N ZINC000641703603 372638928 /nfs/dbraw/zinc/63/89/28/372638928.db2.gz XVZYNXWWSZQTRJ-CYBMUJFWSA-N 2 1 262.401 2.018 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccncc1N ZINC000641703603 372638934 /nfs/dbraw/zinc/63/89/34/372638934.db2.gz XVZYNXWWSZQTRJ-CYBMUJFWSA-N 2 1 262.401 2.018 20 0 CEADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccncc2N)[C@H](c2ccccc2)C1 ZINC000641764354 372701339 /nfs/dbraw/zinc/70/13/39/372701339.db2.gz GJCKAZKDVJQAHJ-SJORKVTESA-N 2 1 296.418 2.099 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccncc2N)[C@H](c2ccccc2)C1 ZINC000641764354 372701350 /nfs/dbraw/zinc/70/13/50/372701350.db2.gz GJCKAZKDVJQAHJ-SJORKVTESA-N 2 1 296.418 2.099 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000353380902 220054953 /nfs/dbraw/zinc/05/49/53/220054953.db2.gz CWOUJDSNGYQIAL-CYBMUJFWSA-N 2 1 296.411 2.020 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000353380902 220054955 /nfs/dbraw/zinc/05/49/55/220054955.db2.gz CWOUJDSNGYQIAL-CYBMUJFWSA-N 2 1 296.411 2.020 20 0 CEADMP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353387729 220058479 /nfs/dbraw/zinc/05/84/79/220058479.db2.gz OVWJDCYAWDGZFL-DZUCGIPZSA-N 2 1 290.455 2.290 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353387729 220058482 /nfs/dbraw/zinc/05/84/82/220058482.db2.gz OVWJDCYAWDGZFL-DZUCGIPZSA-N 3 1 290.455 2.290 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353387729 220058486 /nfs/dbraw/zinc/05/84/86/220058486.db2.gz OVWJDCYAWDGZFL-DZUCGIPZSA-N 3 1 290.455 2.290 20 0 CEADMP CC[C@H](Cn1cncn1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000353391540 220060575 /nfs/dbraw/zinc/06/05/75/220060575.db2.gz XNDNIUJYIOMREG-HZPDHXFCSA-N 2 1 293.459 2.301 20 0 CEADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000641770664 372714292 /nfs/dbraw/zinc/71/42/92/372714292.db2.gz YWNQLQCGIGQRKP-INIZCTEOSA-N 2 1 289.423 2.350 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1F ZINC000641804996 372750642 /nfs/dbraw/zinc/75/06/42/372750642.db2.gz MIHWBHWRNIJAQN-GDLCADMTSA-N 2 1 293.386 2.177 20 0 CEADMP Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641805573 372752894 /nfs/dbraw/zinc/75/28/94/372752894.db2.gz NWSFYEBQGKCKRJ-OLZOCXBDSA-N 2 1 295.814 2.302 20 0 CEADMP C[C@@H]1CC[C@H](CN)[N@@H+](CCCC2CC[NH2+]CC2)[C@@H]1C ZINC000641806268 372752913 /nfs/dbraw/zinc/75/29/13/372752913.db2.gz IKMRITBZXTXVIJ-IIAWOOMASA-N 2 1 267.461 2.214 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])N(CCCC2CC[NH2+]CC2)[C@@H]1C ZINC000641806268 372752922 /nfs/dbraw/zinc/75/29/22/372752922.db2.gz IKMRITBZXTXVIJ-IIAWOOMASA-N 2 1 267.461 2.214 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000641798065 372737363 /nfs/dbraw/zinc/73/73/63/372737363.db2.gz GXHOBDBZFTZGSD-UONOGXRCSA-N 2 1 277.412 2.367 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000353435248 220080317 /nfs/dbraw/zinc/08/03/17/220080317.db2.gz FAGGVXJSEFNIKC-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCCC[NH+](C)CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000353435248 220080321 /nfs/dbraw/zinc/08/03/21/220080321.db2.gz FAGGVXJSEFNIKC-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCCC[NH+](C)CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000353435248 220080326 /nfs/dbraw/zinc/08/03/26/220080326.db2.gz FAGGVXJSEFNIKC-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP C[C@@H]1CCC[N@H+]1C1CCN(CCOCC(F)F)CC1 ZINC000364957697 372799213 /nfs/dbraw/zinc/79/92/13/372799213.db2.gz YXNACUVSTUOYSO-GFCCVEGCSA-N 2 1 276.371 2.217 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cs1 ZINC000333205682 205116427 /nfs/dbraw/zinc/11/64/27/205116427.db2.gz YWIJPCQAKWHQIU-HUUCEWRRSA-N 2 1 295.452 2.170 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2(COC)CCC2)C1 ZINC000361316913 284347420 /nfs/dbraw/zinc/34/74/20/284347420.db2.gz XATXGJCXVHMVRD-AWEZNQCLSA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2(COC)CCC2)C1 ZINC000361316913 284347421 /nfs/dbraw/zinc/34/74/21/284347421.db2.gz XATXGJCXVHMVRD-AWEZNQCLSA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2(COC)CCC2)C1 ZINC000361316913 284347422 /nfs/dbraw/zinc/34/74/22/284347422.db2.gz XATXGJCXVHMVRD-AWEZNQCLSA-N 2 1 254.418 2.077 20 0 CEADMP COCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000344628273 217254006 /nfs/dbraw/zinc/25/40/06/217254006.db2.gz MOMZDKQHLFEWNL-ZBFHGGJFSA-N 2 1 292.423 2.284 20 0 CEADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000333317539 205213599 /nfs/dbraw/zinc/21/35/99/205213599.db2.gz TWBSOXHFLJBSAC-KBUPBQIOSA-N 2 1 288.439 2.167 20 0 CEADMP CCc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)nc(C)[nH+]1 ZINC000277938936 541884126 /nfs/dbraw/zinc/88/41/26/541884126.db2.gz HWDJTFBQABMDTK-ZDUSSCGKSA-N 2 1 292.427 2.260 20 0 CEADMP CCc1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)nc(C)[nH+]1 ZINC000277938936 541884131 /nfs/dbraw/zinc/88/41/31/541884131.db2.gz HWDJTFBQABMDTK-ZDUSSCGKSA-N 2 1 292.427 2.260 20 0 CEADMP CN(C[C@H]1CCC[N@H+]1C)c1cc[nH+]c2c(O)cccc12 ZINC000643197887 372965493 /nfs/dbraw/zinc/96/54/93/372965493.db2.gz RDVDMEBDJLRICK-GFCCVEGCSA-N 2 1 271.364 2.471 20 0 CEADMP CC1CC[NH+](CCN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000366361254 373028074 /nfs/dbraw/zinc/02/80/74/373028074.db2.gz SPGDHGHEQJHOBP-KURKYZTESA-N 2 1 291.483 2.134 20 0 CEADMP CC(C)c1nc([C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)no1 ZINC000333496428 205375203 /nfs/dbraw/zinc/37/52/03/205375203.db2.gz DWZSBTLHQPIWAR-UONOGXRCSA-N 2 1 292.427 2.372 20 0 CEADMP COC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C(C)C ZINC000366427239 373045022 /nfs/dbraw/zinc/04/50/22/373045022.db2.gz BLHBSAPKQFCHFI-YMAMQOFZSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1[nH]ncc1[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000643349795 373078225 /nfs/dbraw/zinc/07/82/25/373078225.db2.gz CFINRKGCKNDXBX-PKSQDBQZSA-N 2 1 250.390 2.242 20 0 CEADMP C[C@H]1CCC[N@H+]1C1CCN(C[C@H]2CCCO2)CC1 ZINC000366734672 373117381 /nfs/dbraw/zinc/11/73/81/373117381.db2.gz WNGSTEKVIMXKRY-DZGCQCFKSA-N 2 1 252.402 2.114 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccnn1C ZINC000643484231 373151169 /nfs/dbraw/zinc/15/11/69/373151169.db2.gz JXFBIRNJTWEVOB-KKUMJFAQSA-N 2 1 278.444 2.280 20 0 CEADMP c1cnc2c(c1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000643500636 373159265 /nfs/dbraw/zinc/15/92/65/373159265.db2.gz MQOTWXFQSSFRPE-IXXDHKBRSA-N 2 1 257.381 2.332 20 0 CEADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C[C@@H]1OC ZINC000643501763 373159609 /nfs/dbraw/zinc/15/96/09/373159609.db2.gz PIOVZDLRCOUCQI-MJBXVCDLSA-N 2 1 254.418 2.312 20 0 CEADMP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000643502654 373162178 /nfs/dbraw/zinc/16/21/78/373162178.db2.gz MWSIUQQIZNBIOA-KLHDSHLOSA-N 2 1 266.429 2.313 20 0 CEADMP COc1cccc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1OC ZINC000643451196 373122135 /nfs/dbraw/zinc/12/21/35/373122135.db2.gz AFLIFXRPWFEEAM-DZGCQCFKSA-N 2 1 292.423 2.367 20 0 CEADMP CC[C@H]([NH2+]CCc1nc(C)cs1)[C@@H]1CCC[NH2+]1 ZINC000643460781 373129636 /nfs/dbraw/zinc/12/96/36/373129636.db2.gz XXAHUWQEOOIMGU-RYUDHWBXSA-N 2 1 253.415 2.114 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000643466362 373134625 /nfs/dbraw/zinc/13/46/25/373134625.db2.gz MHOZFCDZFNILPA-STQMWFEESA-N 2 1 296.798 2.471 20 0 CEADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000353562296 220160839 /nfs/dbraw/zinc/16/08/39/220160839.db2.gz MPJUVNNJOOVXFN-DZGCQCFKSA-N 2 1 283.460 2.083 20 0 CEADMP CSC1(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000368019170 373210751 /nfs/dbraw/zinc/21/07/51/373210751.db2.gz KZIXYXKOJNGNIJ-BFHYXJOUSA-N 2 1 284.469 2.066 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(c3ccccn3)C2)C1 ZINC000368017589 373211855 /nfs/dbraw/zinc/21/18/55/373211855.db2.gz HUENOXVHCZNHLS-NFOMZHRRSA-N 2 1 259.397 2.259 20 0 CEADMP C[C@@]1(C[NH2+][C@H]2CCCc3cccnc32)CCC[NH2+]C1 ZINC000643518709 373175291 /nfs/dbraw/zinc/17/52/91/373175291.db2.gz PEOOZICERXKWFF-GOEBONIOSA-N 2 1 259.397 2.438 20 0 CEADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](CO)c1ccccc1 ZINC000271199497 373177833 /nfs/dbraw/zinc/17/78/33/373177833.db2.gz FGBWVTJKOSGRTF-HOTGVXAUSA-N 2 1 262.397 2.136 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](CO)c1ccccc1 ZINC000271199497 373177838 /nfs/dbraw/zinc/17/78/38/373177838.db2.gz FGBWVTJKOSGRTF-HOTGVXAUSA-N 2 1 262.397 2.136 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](CO)c1ccccc1 ZINC000271199497 373177842 /nfs/dbraw/zinc/17/78/42/373177842.db2.gz FGBWVTJKOSGRTF-HOTGVXAUSA-N 2 1 262.397 2.136 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](CO)c1ccccc1 ZINC000271199497 373177846 /nfs/dbraw/zinc/17/78/46/373177846.db2.gz FGBWVTJKOSGRTF-HOTGVXAUSA-N 2 1 262.397 2.136 20 0 CEADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(-n2ccnn2)c1 ZINC000643543500 373203177 /nfs/dbraw/zinc/20/31/77/373203177.db2.gz PERIZZUQHRERKA-DYVFJYSZSA-N 2 1 299.422 2.435 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(CO)c1 ZINC000271954553 373233384 /nfs/dbraw/zinc/23/33/84/373233384.db2.gz KRPLQQLXJMUXEX-ZDUSSCGKSA-N 2 1 274.408 2.456 20 0 CEADMP COC(=O)CCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000369324777 373385544 /nfs/dbraw/zinc/38/55/44/373385544.db2.gz GKSUNCGDSADUSZ-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000369324777 373385549 /nfs/dbraw/zinc/38/55/49/373385549.db2.gz GKSUNCGDSADUSZ-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000369324777 373385556 /nfs/dbraw/zinc/38/55/56/373385556.db2.gz GKSUNCGDSADUSZ-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000369324777 373385561 /nfs/dbraw/zinc/38/55/61/373385561.db2.gz GKSUNCGDSADUSZ-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000369324777 373385567 /nfs/dbraw/zinc/38/55/67/373385567.db2.gz GKSUNCGDSADUSZ-HUUCEWRRSA-N 2 1 282.428 2.136 20 0 CEADMP OCc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000272330229 373432180 /nfs/dbraw/zinc/43/21/80/373432180.db2.gz MLKRWLPHDASORK-KRWDZBQOSA-N 2 1 274.408 2.097 20 0 CEADMP OCc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000272330229 373432188 /nfs/dbraw/zinc/43/21/88/373432188.db2.gz MLKRWLPHDASORK-KRWDZBQOSA-N 2 1 274.408 2.097 20 0 CEADMP C[N@@H+](C[C@@H]1CCSC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000369489209 373434335 /nfs/dbraw/zinc/43/43/35/373434335.db2.gz DITGNUXGDMIVGH-AWEZNQCLSA-N 2 1 298.496 2.315 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CC=CCC1 ZINC000644529991 373513619 /nfs/dbraw/zinc/51/36/19/373513619.db2.gz WMKBOYWEUYDKHF-AEFFLSMTSA-N 2 1 288.435 2.425 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CC=CCC1 ZINC000644529991 373513624 /nfs/dbraw/zinc/51/36/24/373513624.db2.gz WMKBOYWEUYDKHF-AEFFLSMTSA-N 2 1 288.435 2.425 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC1(F)CCC1 ZINC000644647192 373581046 /nfs/dbraw/zinc/58/10/46/373581046.db2.gz GVEVTHWQSMQJCZ-INIZCTEOSA-N 2 1 294.414 2.351 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC1(F)CCC1 ZINC000644647192 373581051 /nfs/dbraw/zinc/58/10/51/373581051.db2.gz GVEVTHWQSMQJCZ-INIZCTEOSA-N 2 1 294.414 2.351 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000257678192 220221047 /nfs/dbraw/zinc/22/10/47/220221047.db2.gz KILCSEYFTKWKFQ-UHFFFAOYSA-N 2 1 265.426 2.335 20 0 CEADMP CN(C)c1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000644784190 373681856 /nfs/dbraw/zinc/68/18/56/373681856.db2.gz MSZZSHBXGAPNDK-KRWDZBQOSA-N 2 1 273.424 2.280 20 0 CEADMP CN(C)c1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000644784190 373681866 /nfs/dbraw/zinc/68/18/66/373681866.db2.gz MSZZSHBXGAPNDK-KRWDZBQOSA-N 2 1 273.424 2.280 20 0 CEADMP CN(C)c1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000644784190 373681881 /nfs/dbraw/zinc/68/18/81/373681881.db2.gz MSZZSHBXGAPNDK-KRWDZBQOSA-N 2 1 273.424 2.280 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)n1 ZINC000370746923 373737595 /nfs/dbraw/zinc/73/75/95/373737595.db2.gz JPMQVJOOCKPSSZ-ZFWWWQNUSA-N 2 1 299.422 2.138 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000370746923 373737602 /nfs/dbraw/zinc/73/76/02/373737602.db2.gz JPMQVJOOCKPSSZ-ZFWWWQNUSA-N 2 1 299.422 2.138 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000371206403 373813801 /nfs/dbraw/zinc/81/38/01/373813801.db2.gz YQMDVQBPUWTJLZ-INIZCTEOSA-N 2 1 287.411 2.461 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000371206403 373813808 /nfs/dbraw/zinc/81/38/08/373813808.db2.gz YQMDVQBPUWTJLZ-INIZCTEOSA-N 2 1 287.411 2.461 20 0 CEADMP Cc1noc(C2CCC([NH2+]C3CC[NH+](C)CC3)CC2)n1 ZINC000371447913 373885280 /nfs/dbraw/zinc/88/52/80/373885280.db2.gz OYTLALADNZDPAV-UHFFFAOYSA-N 2 1 278.400 2.088 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCF ZINC000274799939 374052853 /nfs/dbraw/zinc/05/28/53/374052853.db2.gz FBHWUJSMBNEMJD-UKRRQHHQSA-N 2 1 250.361 2.456 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCF ZINC000274799939 374052862 /nfs/dbraw/zinc/05/28/62/374052862.db2.gz FBHWUJSMBNEMJD-UKRRQHHQSA-N 2 1 250.361 2.456 20 0 CEADMP CC[N@@H+](C)CCN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274972272 374109425 /nfs/dbraw/zinc/10/94/25/374109425.db2.gz YDTQWIHBBOXLHV-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+](C)CCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972272 374109431 /nfs/dbraw/zinc/10/94/31/374109431.db2.gz YDTQWIHBBOXLHV-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+](C)CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972272 374109435 /nfs/dbraw/zinc/10/94/35/374109435.db2.gz YDTQWIHBBOXLHV-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP CCN(C)CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972272 374109440 /nfs/dbraw/zinc/10/94/40/374109440.db2.gz YDTQWIHBBOXLHV-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP CCN(C)CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972272 374109445 /nfs/dbraw/zinc/10/94/45/374109445.db2.gz YDTQWIHBBOXLHV-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C1(CO)Cc2ccccc2C1 ZINC000372426332 374126601 /nfs/dbraw/zinc/12/66/01/374126601.db2.gz VEKYYPITNYYEEQ-UHFFFAOYSA-N 2 1 299.418 2.091 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645811350 374200004 /nfs/dbraw/zinc/20/00/04/374200004.db2.gz NAGWNTLMQSBXKI-IRXDYDNUSA-N 2 1 298.471 2.236 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@@H]2CCOC2)[C@@H](C)C1 ZINC000645830312 374211821 /nfs/dbraw/zinc/21/18/21/374211821.db2.gz LZBUVRFCCGQXRX-XHSDSOJGSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC[C@@H]2CCOC2)[C@@H](C)C1 ZINC000645830312 374211823 /nfs/dbraw/zinc/21/18/23/374211823.db2.gz LZBUVRFCCGQXRX-XHSDSOJGSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC[C@@H]2CCOC2)[C@@H](C)C1 ZINC000645830312 374211826 /nfs/dbraw/zinc/21/18/26/374211826.db2.gz LZBUVRFCCGQXRX-XHSDSOJGSA-N 2 1 268.445 2.465 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](O)c2ccccc2C1 ZINC000373246145 374306614 /nfs/dbraw/zinc/30/66/14/374306614.db2.gz UAUYAEFGXZEMEH-NVXWUHKLSA-N 2 1 274.408 2.410 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](O)c2ccccc2C1 ZINC000373246145 374306620 /nfs/dbraw/zinc/30/66/20/374306620.db2.gz UAUYAEFGXZEMEH-NVXWUHKLSA-N 2 1 274.408 2.410 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000373246145 374306627 /nfs/dbraw/zinc/30/66/27/374306627.db2.gz UAUYAEFGXZEMEH-NVXWUHKLSA-N 2 1 274.408 2.410 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000373246145 374306637 /nfs/dbraw/zinc/30/66/37/374306637.db2.gz UAUYAEFGXZEMEH-NVXWUHKLSA-N 2 1 274.408 2.410 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000645948947 374307638 /nfs/dbraw/zinc/30/76/38/374307638.db2.gz LKLYWNITIVUSRN-HZPDHXFCSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000645948947 374307642 /nfs/dbraw/zinc/30/76/42/374307642.db2.gz LKLYWNITIVUSRN-HZPDHXFCSA-N 2 1 277.412 2.473 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CCC12CCOCC2)[NH+]1CCCC1 ZINC000374297392 374534763 /nfs/dbraw/zinc/53/47/63/374534763.db2.gz QJMBCLWIZYKYAL-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP CC1(C[NH2+][C@@H]2CC[N@@H+](C3CCCCCC3)C2)COC1 ZINC000375624484 374666238 /nfs/dbraw/zinc/66/62/38/374666238.db2.gz OVJIFLAZGGOUBZ-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP CC1(C[NH2+][C@@H]2CC[N@H+](C3CCCCCC3)C2)COC1 ZINC000375624484 374666244 /nfs/dbraw/zinc/66/62/44/374666244.db2.gz OVJIFLAZGGOUBZ-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP COc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000277931557 374686386 /nfs/dbraw/zinc/68/63/86/374686386.db2.gz QNPQDCGAGFIASX-OAHLLOKOSA-N 2 1 292.423 2.286 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)[C@H](C)C1 ZINC000278414390 374808068 /nfs/dbraw/zinc/80/80/68/374808068.db2.gz HZEURPHSQDHGEO-WQVCFCJDSA-N 2 1 280.387 2.179 20 0 CEADMP Nc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccn1 ZINC000278348133 374787806 /nfs/dbraw/zinc/78/78/06/374787806.db2.gz GGZQYUYLBPAMPX-HNNXBMFYSA-N 2 1 274.412 2.114 20 0 CEADMP Nc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccn1 ZINC000278348133 374787811 /nfs/dbraw/zinc/78/78/11/374787811.db2.gz GGZQYUYLBPAMPX-HNNXBMFYSA-N 2 1 274.412 2.114 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(NCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000378192688 375038264 /nfs/dbraw/zinc/03/82/64/375038264.db2.gz UXECJSONATWAQC-CQSZACIVSA-N 2 1 299.422 2.141 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(NCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000378192688 375038265 /nfs/dbraw/zinc/03/82/65/375038265.db2.gz UXECJSONATWAQC-CQSZACIVSA-N 2 1 299.422 2.141 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378911867 375149237 /nfs/dbraw/zinc/14/92/37/375149237.db2.gz SOWXVVUNALTZBA-VDHUWJSZSA-N 2 1 288.435 2.400 20 0 CEADMP C[NH2+]CCCN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000382702660 375192496 /nfs/dbraw/zinc/19/24/96/375192496.db2.gz NSKRHDDJYQAZOZ-UHFFFAOYSA-N 2 1 275.440 2.192 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000382865578 375193303 /nfs/dbraw/zinc/19/33/03/375193303.db2.gz GPCPAWYYBIUMCX-MGPQQGTHSA-N 2 1 299.459 2.220 20 0 CEADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000382865576 375193981 /nfs/dbraw/zinc/19/39/81/375193981.db2.gz GPCPAWYYBIUMCX-BFHYXJOUSA-N 2 1 299.459 2.220 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[NH+]1CCCC1 ZINC000384638816 375213074 /nfs/dbraw/zinc/21/30/74/375213074.db2.gz SGGLFQSRPXTTSW-KBXIAJHMSA-N 2 1 254.418 2.262 20 0 CEADMP COc1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000386792430 375266097 /nfs/dbraw/zinc/26/60/97/375266097.db2.gz MDIKTMYDMMEXDD-GASCZTMLSA-N 2 1 290.407 2.005 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000387200381 375274010 /nfs/dbraw/zinc/27/40/10/375274010.db2.gz CCKXYAODKVUPDH-SFHVURJKSA-N 2 1 290.451 2.254 20 0 CEADMP CC(C)C[C@@H](N)c1noc([C@H]2CCCN2C2CC2)n1 ZINC000414622876 375881937 /nfs/dbraw/zinc/88/19/37/375881937.db2.gz SXRZETMUYPZRCR-VXGBXAGGSA-N 2 1 264.373 2.415 20 0 CEADMP CCOc1c(OC)cc(C[N@H+](C)C2CC([NH3+])C2)cc1OC ZINC000414764226 375954738 /nfs/dbraw/zinc/95/47/38/375954738.db2.gz AJZBUTNLTLOCKW-UHFFFAOYSA-N 2 1 294.395 2.024 20 0 CEADMP CCOc1c(OC)cc(C[N@@H+](C)C2CC([NH3+])C2)cc1OC ZINC000414764226 375954741 /nfs/dbraw/zinc/95/47/41/375954741.db2.gz AJZBUTNLTLOCKW-UHFFFAOYSA-N 2 1 294.395 2.024 20 0 CEADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414783112 375968344 /nfs/dbraw/zinc/96/83/44/375968344.db2.gz GFFBPODCVRGHKV-UHFFFAOYSA-N 2 1 288.370 2.161 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)C1CC1 ZINC000414793688 375974567 /nfs/dbraw/zinc/97/45/67/375974567.db2.gz DTOPUKJXGRARPI-CYBMUJFWSA-N 2 1 288.313 2.455 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)C1CC1 ZINC000414794228 375977418 /nfs/dbraw/zinc/97/74/18/375977418.db2.gz FLUKKIKKDMMHEA-DLBZAZTESA-N 2 1 290.407 2.071 20 0 CEADMP Cn1c2ccc(Cl)cc2nc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000414794921 375977845 /nfs/dbraw/zinc/97/78/45/375977845.db2.gz GFYVAQDYERDCEH-PWSUYJOCSA-N 2 1 292.814 2.444 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1O ZINC000414685956 375916481 /nfs/dbraw/zinc/91/64/81/375916481.db2.gz FJWCQSMVRNTEBV-JSGCOSHPSA-N 2 1 278.396 2.221 20 0 CEADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1Cl ZINC000414796297 375979476 /nfs/dbraw/zinc/97/94/76/375979476.db2.gz HJXFDTNIDKXZSO-GFCCVEGCSA-N 2 1 254.761 2.176 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000414807565 375994056 /nfs/dbraw/zinc/99/40/56/375994056.db2.gz RNHQPYDARCRBID-UHFFFAOYSA-N 2 1 264.369 2.065 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1cncc(Br)c1 ZINC000414812720 375999963 /nfs/dbraw/zinc/99/99/63/375999963.db2.gz RMYMKNVNZKOGIS-UHFFFAOYSA-N 2 1 286.217 2.451 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCN[C@H](c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000414819478 376006863 /nfs/dbraw/zinc/00/68/63/376006863.db2.gz HQCYEXJTMIFJAL-OWLYRPNTSA-N 2 1 287.451 2.457 20 0 CEADMP C[NH2+]CC[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414821361 376008642 /nfs/dbraw/zinc/00/86/42/376008642.db2.gz DVGCTWVKHNKQJZ-VIFPVBQESA-N 2 1 289.192 2.328 20 0 CEADMP COC[C@@H](CC(C)C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414928848 376013672 /nfs/dbraw/zinc/01/36/72/376013672.db2.gz NNLVJMXXMHKBTD-ZIAGYGMSSA-N 2 1 256.434 2.415 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000414801478 375986984 /nfs/dbraw/zinc/98/69/84/375986984.db2.gz UEFAGPLIFDQTIA-GFCCVEGCSA-N 2 1 278.425 2.222 20 0 CEADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+](C)CC)cc1 ZINC000263667865 190072665 /nfs/dbraw/zinc/07/26/65/190072665.db2.gz IEGJSOQKAXUGDJ-UHFFFAOYSA-N 2 1 291.439 2.210 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000262719879 190061650 /nfs/dbraw/zinc/06/16/50/190061650.db2.gz YQBIFVGFTPWHAL-YOEHRIQHSA-N 2 1 291.439 2.141 20 0 CEADMP C[C@@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000556822595 376497403 /nfs/dbraw/zinc/49/74/03/376497403.db2.gz IKINIYWLMWAYGQ-FZKCQIBNSA-N 2 1 295.471 2.190 20 0 CEADMP CN(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000263863964 190082718 /nfs/dbraw/zinc/08/27/18/190082718.db2.gz XSQLTFNHAQHJFV-HZPDHXFCSA-N 2 1 273.424 2.469 20 0 CEADMP FC(F)(F)CO[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000557333374 376550960 /nfs/dbraw/zinc/55/09/60/376550960.db2.gz ARHVJXJUWWASHT-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP CCn1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1C ZINC000334314112 206354419 /nfs/dbraw/zinc/35/44/19/206354419.db2.gz LXAHKOFVIXHTGK-QGZVFWFLSA-N 2 1 290.455 2.438 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1C ZINC000334314112 206354422 /nfs/dbraw/zinc/35/44/22/206354422.db2.gz LXAHKOFVIXHTGK-QGZVFWFLSA-N 2 1 290.455 2.438 20 0 CEADMP CCn1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1C ZINC000334314112 206354423 /nfs/dbraw/zinc/35/44/23/206354423.db2.gz LXAHKOFVIXHTGK-QGZVFWFLSA-N 2 1 290.455 2.438 20 0 CEADMP CCn1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000334314112 206354425 /nfs/dbraw/zinc/35/44/25/206354425.db2.gz LXAHKOFVIXHTGK-QGZVFWFLSA-N 2 1 290.455 2.438 20 0 CEADMP CCn1nc(C)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000307965858 376574941 /nfs/dbraw/zinc/57/49/41/376574941.db2.gz MOLRTSFXQOPPFQ-FZMZJTMJSA-N 2 1 264.417 2.079 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290035765 376614158 /nfs/dbraw/zinc/61/41/58/376614158.db2.gz WEFIQWHWDLEECU-AWEZNQCLSA-N 2 1 293.802 2.379 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290035765 376614164 /nfs/dbraw/zinc/61/41/64/376614164.db2.gz WEFIQWHWDLEECU-AWEZNQCLSA-N 2 1 293.802 2.379 20 0 CEADMP CCC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000558722130 376642432 /nfs/dbraw/zinc/64/24/32/376642432.db2.gz YZWJJZDWSMDMIE-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)c1cc(N2CCC[C@H](CC[NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420247240 376657057 /nfs/dbraw/zinc/65/70/57/376657057.db2.gz UGOALWIZTOODLR-CYBMUJFWSA-N 2 1 291.443 2.231 20 0 CEADMP C([NH2+]C(C1CCC1)C1CCC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000312928211 376733068 /nfs/dbraw/zinc/73/30/68/376733068.db2.gz DXROMLFCPKRHCI-CVEARBPZSA-N 2 1 278.440 2.408 20 0 CEADMP C([NH2+]C(C1CCC1)C1CCC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000312928211 376733072 /nfs/dbraw/zinc/73/30/72/376733072.db2.gz DXROMLFCPKRHCI-CVEARBPZSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@@H+](CCc1cn[nH]c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290174471 376671752 /nfs/dbraw/zinc/67/17/52/376671752.db2.gz YPSRPFFBFQTMIT-SFHVURJKSA-N 2 1 298.434 2.406 20 0 CEADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC1CC1 ZINC000420907878 376733554 /nfs/dbraw/zinc/73/35/54/376733554.db2.gz VVIMCAPYEQRMAE-UHFFFAOYSA-N 2 1 274.408 2.361 20 0 CEADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC1CC1 ZINC000420907878 376733558 /nfs/dbraw/zinc/73/35/58/376733558.db2.gz VVIMCAPYEQRMAE-UHFFFAOYSA-N 2 1 274.408 2.361 20 0 CEADMP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211957068 542093900 /nfs/dbraw/zinc/09/39/00/542093900.db2.gz KNAGQWYJUOHSIK-DYVFJYSZSA-N 2 1 274.408 2.332 20 0 CEADMP c1cnn(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)c1 ZINC000320291670 376823112 /nfs/dbraw/zinc/82/31/12/376823112.db2.gz AQZVVIKQAQZOBO-CALCHBBNSA-N 2 1 296.418 2.304 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(O)cc2)C1 ZINC000685470678 542147160 /nfs/dbraw/zinc/14/71/60/542147160.db2.gz HNSREMHYHHEPMV-ZBFHGGJFSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(O)cc2)C1 ZINC000685470678 542147162 /nfs/dbraw/zinc/14/71/62/542147162.db2.gz HNSREMHYHHEPMV-ZBFHGGJFSA-N 2 1 260.381 2.308 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(O)cc2)C1 ZINC000685470678 542147167 /nfs/dbraw/zinc/14/71/67/542147167.db2.gz HNSREMHYHHEPMV-ZBFHGGJFSA-N 2 1 260.381 2.308 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000290561533 376835840 /nfs/dbraw/zinc/83/58/40/376835840.db2.gz SJYVVFVEJKFZNN-NSHDSACASA-N 2 1 294.424 2.223 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000290561533 376835847 /nfs/dbraw/zinc/83/58/47/376835847.db2.gz SJYVVFVEJKFZNN-NSHDSACASA-N 2 1 294.424 2.223 20 0 CEADMP COc1ccc(OCCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422901312 376858330 /nfs/dbraw/zinc/85/83/30/376858330.db2.gz RXOXHHGSLATYNB-CJNGLKHVSA-N 2 1 278.396 2.052 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1O ZINC000422978645 376902626 /nfs/dbraw/zinc/90/26/26/376902626.db2.gz ZXRJVAPSWINWMH-CHWSQXEVSA-N 2 1 264.369 2.150 20 0 CEADMP Cc1noc(C2CCC([NH2+]C[C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000562340611 376869420 /nfs/dbraw/zinc/86/94/20/376869420.db2.gz QLUTZBQELPHUBR-NFOMZHRRSA-N 2 1 292.427 2.336 20 0 CEADMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000328640364 376870154 /nfs/dbraw/zinc/87/01/54/376870154.db2.gz FAYXLEMJQUUXDI-OLZOCXBDSA-N 2 1 276.384 2.201 20 0 CEADMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000328640364 376870163 /nfs/dbraw/zinc/87/01/63/376870163.db2.gz FAYXLEMJQUUXDI-OLZOCXBDSA-N 2 1 276.384 2.201 20 0 CEADMP CC[C@H]([NH2+]CCOc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422955418 376879774 /nfs/dbraw/zinc/87/97/74/376879774.db2.gz JGWDMBQRARGBFV-GJZGRUSLSA-N 2 1 284.350 2.464 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000422959687 376884947 /nfs/dbraw/zinc/88/49/47/376884947.db2.gz TYAZVXGOORCMOU-DMDPSCGWSA-N 2 1 295.814 2.161 20 0 CEADMP CC[C@@H]([NH2+]Cc1ccc(NCCOC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422963007 376890180 /nfs/dbraw/zinc/89/01/80/376890180.db2.gz FAADLOJYOWGCFG-SJORKVTESA-N 2 1 291.439 2.365 20 0 CEADMP CCOc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422966168 376895145 /nfs/dbraw/zinc/89/51/45/376895145.db2.gz QVJFASXZOFNNBA-BZUAXINKSA-N 2 1 289.423 2.491 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000423080012 376975075 /nfs/dbraw/zinc/97/50/75/376975075.db2.gz ZDHIHOXYOUZZIX-WBQNTZJQSA-N 2 1 292.398 2.022 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422994832 376909606 /nfs/dbraw/zinc/90/96/06/376909606.db2.gz IPVMMYNOIXOULM-IKGGRYGDSA-N 3 1 281.488 2.462 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422994832 376909611 /nfs/dbraw/zinc/90/96/11/376909611.db2.gz IPVMMYNOIXOULM-IKGGRYGDSA-N 2 1 281.488 2.462 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422994832 376909619 /nfs/dbraw/zinc/90/96/19/376909619.db2.gz IPVMMYNOIXOULM-IKGGRYGDSA-N 2 1 281.488 2.462 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423003158 376922034 /nfs/dbraw/zinc/92/20/34/376922034.db2.gz KTNFEAQYXFYTCL-FZMZJTMJSA-N 2 1 265.401 2.188 20 0 CEADMP CC1=CC[N@@H+](CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000423033772 376941554 /nfs/dbraw/zinc/94/15/54/376941554.db2.gz GWKSTWOIFVXFHJ-DLBZAZTESA-N 2 1 271.408 2.373 20 0 CEADMP C[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000423042563 376945392 /nfs/dbraw/zinc/94/53/92/376945392.db2.gz LESSYYUPUYKYJB-NOZJJQNGSA-N 2 1 272.314 2.377 20 0 CEADMP C[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423042565 376945952 /nfs/dbraw/zinc/94/59/52/376945952.db2.gz LESSYYUPUYKYJB-RNCFNFMXSA-N 2 1 272.314 2.377 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1O ZINC000290837837 376947723 /nfs/dbraw/zinc/94/77/23/376947723.db2.gz YEOJYDIPJZRUNT-GFCCVEGCSA-N 2 1 276.380 2.313 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000423056059 376949785 /nfs/dbraw/zinc/94/97/85/376949785.db2.gz WWXLXYMTBRIVJV-HWWQOWPSSA-N 2 1 290.386 2.364 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423129908 377026955 /nfs/dbraw/zinc/02/69/55/377026955.db2.gz GBIPGPFFJLFAJO-MNOVXSKESA-N 2 1 274.286 2.397 20 0 CEADMP Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423133789 377032327 /nfs/dbraw/zinc/03/23/27/377032327.db2.gz CXEXNDWUQCLVDX-UONOGXRCSA-N 2 1 261.413 2.398 20 0 CEADMP N[C@@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423089955 376983144 /nfs/dbraw/zinc/98/31/44/376983144.db2.gz UIBSASSKNJLZQP-HZPDHXFCSA-N 2 1 265.445 2.110 20 0 CEADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423091031 376985318 /nfs/dbraw/zinc/98/53/18/376985318.db2.gz YZXRNVZLYZOCSF-KFWWJZLASA-N 2 1 267.461 2.214 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423091031 376985329 /nfs/dbraw/zinc/98/53/29/376985329.db2.gz YZXRNVZLYZOCSF-KFWWJZLASA-N 2 1 267.461 2.214 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423093264 376988428 /nfs/dbraw/zinc/98/84/28/376988428.db2.gz GUSLEOPJJPEFOI-KOZAUXTDSA-N 2 1 288.391 2.453 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CSC1(C)C ZINC000423098503 376991506 /nfs/dbraw/zinc/99/15/06/376991506.db2.gz CYDTWCIAVJBSAN-UBHSHLNASA-N 2 1 264.438 2.429 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000423101972 376995160 /nfs/dbraw/zinc/99/51/60/376995160.db2.gz WSESMBPOTJQXOO-DJIMGWMZSA-N 2 1 279.472 2.371 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C12CCCC2 ZINC000423194836 377110389 /nfs/dbraw/zinc/11/03/89/377110389.db2.gz RTQFTTGYHFJCTM-MGPQQGTHSA-N 2 1 252.402 2.066 20 0 CEADMP C[C@@H]([NH2+]CCC[NH3+])c1ncc(-c2ccccc2)n1C ZINC000423196848 377112563 /nfs/dbraw/zinc/11/25/63/377112563.db2.gz WPOPYEMPFFRIEB-GFCCVEGCSA-N 2 1 258.369 2.087 20 0 CEADMP Cc1ccc(F)c(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000423153316 377054215 /nfs/dbraw/zinc/05/42/15/377054215.db2.gz NCXADSSETRTVII-SWLSCSKDSA-N 2 1 250.361 2.407 20 0 CEADMP C1C[C@]2(CS1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000423155188 377056367 /nfs/dbraw/zinc/05/63/67/377056367.db2.gz KPMIDJPLFZBODD-IZGVIRRGSA-N 2 1 266.454 2.489 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](Cc1ccccc1)OC)[C@@H]1CCC[NH2+]1 ZINC000423159659 377064593 /nfs/dbraw/zinc/06/45/93/377064593.db2.gz PNFXMRWHDJTHRJ-ZACQAIPSSA-N 2 1 276.424 2.364 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C2 ZINC000423166773 377072226 /nfs/dbraw/zinc/07/22/26/377072226.db2.gz DECXAUHXJICPNL-XNRPHZJLSA-N 2 1 274.408 2.283 20 0 CEADMP COCC1CCC([NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000423179273 377090269 /nfs/dbraw/zinc/09/02/69/377090269.db2.gz JOLNOEPEYOVNMT-PNESKVBLSA-N 2 1 263.385 2.350 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)c1cccnc1)[C@H]1CCCC[NH2+]1 ZINC000423182344 377095102 /nfs/dbraw/zinc/09/51/02/377095102.db2.gz LPJXPDLPIQUBCM-UKRRQHHQSA-N 2 1 261.413 2.479 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000563129469 377102533 /nfs/dbraw/zinc/10/25/33/377102533.db2.gz BXWSDQFPXSSDMB-INIZCTEOSA-N 2 1 278.396 2.025 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423272055 377193064 /nfs/dbraw/zinc/19/30/64/377193064.db2.gz JPQQJKHKEBLTQU-JZXOWHBKSA-N 2 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423272055 377193074 /nfs/dbraw/zinc/19/30/74/377193074.db2.gz JPQQJKHKEBLTQU-JZXOWHBKSA-N 3 1 289.467 2.342 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423272055 377193080 /nfs/dbraw/zinc/19/30/80/377193080.db2.gz JPQQJKHKEBLTQU-JZXOWHBKSA-N 3 1 289.467 2.342 20 0 CEADMP COCC[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000563271662 377149279 /nfs/dbraw/zinc/14/92/79/377149279.db2.gz XNILUGWPBTWJOS-CQSZACIVSA-N 2 1 262.397 2.448 20 0 CEADMP CC[NH2+]CC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000423247410 377166524 /nfs/dbraw/zinc/16/65/24/377166524.db2.gz PDXHPZILTGOLID-QWHCGFSZSA-N 2 1 250.386 2.386 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1OC ZINC000423274560 377198628 /nfs/dbraw/zinc/19/86/28/377198628.db2.gz MHGGNZMAACYKKR-WCQYABFASA-N 2 1 266.385 2.338 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])c(F)cn1 ZINC000423280740 377207998 /nfs/dbraw/zinc/20/79/98/377207998.db2.gz UMSJZQHZPHPDPQ-KWBADKCTSA-N 2 1 267.348 2.007 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC[NH2+]C1CCCCCC1 ZINC000423283777 377212957 /nfs/dbraw/zinc/21/29/57/377212957.db2.gz WFRGXOOFNAYOOR-HOCLYGCPSA-N 2 1 267.461 2.229 20 0 CEADMP CCCCO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CC2)C1(C)C ZINC000423285219 377215699 /nfs/dbraw/zinc/21/56/99/377215699.db2.gz YAXCEZRPLKWRGM-HZSPNIEDSA-N 2 1 254.418 2.297 20 0 CEADMP CCC[NH2+]CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423312393 377240410 /nfs/dbraw/zinc/24/04/10/377240410.db2.gz RSVWEMXHEMAXLG-WMZOPIPTSA-N 3 1 289.467 2.486 20 0 CEADMP CC(C)[C@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@H](C)[NH3+] ZINC000423318120 377248478 /nfs/dbraw/zinc/24/84/78/377248478.db2.gz CCCFJOGOMHCZBR-PMPSAXMXSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423319297 377250416 /nfs/dbraw/zinc/25/04/16/377250416.db2.gz FBWPXFOLXSQSMY-UGFHNGPFSA-N 2 1 282.815 2.367 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423337982 377269460 /nfs/dbraw/zinc/26/94/60/377269460.db2.gz HWXGDPWBZRLYRT-APWZRJJASA-N 3 1 299.462 2.406 20 0 CEADMP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)C(C)(C)n1cncn1 ZINC000423275336 377200817 /nfs/dbraw/zinc/20/08/17/377200817.db2.gz LRSANIXMAUOWAE-AWEZNQCLSA-N 2 1 293.459 2.304 20 0 CEADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)s1 ZINC000423277361 377202986 /nfs/dbraw/zinc/20/29/86/377202986.db2.gz PKMQMHKTVSOQOM-CMPLNLGQSA-N 2 1 285.457 2.274 20 0 CEADMP CC(C)[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CC1 ZINC000563880102 377309395 /nfs/dbraw/zinc/30/93/95/377309395.db2.gz LEXQYQUEZPDEPV-JCYILVPMSA-N 2 1 279.472 2.227 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000564440744 377390819 /nfs/dbraw/zinc/39/08/19/377390819.db2.gz XXLCUTZTTSYMHW-LBPRGKRZSA-N 2 1 263.385 2.295 20 0 CEADMP C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cnc(N(C)C)n2C)C1 ZINC000425324793 377349043 /nfs/dbraw/zinc/34/90/43/377349043.db2.gz KXPRTVDJKIICIY-OLZOCXBDSA-N 2 1 264.417 2.497 20 0 CEADMP Cc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C2CCC2)cc1 ZINC000427888324 377463790 /nfs/dbraw/zinc/46/37/90/377463790.db2.gz WNXADRVZODUUGC-MSOLQXFVSA-N 2 1 288.435 2.492 20 0 CEADMP Cc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C2CCC2)cc1 ZINC000427888324 377463796 /nfs/dbraw/zinc/46/37/96/377463796.db2.gz WNXADRVZODUUGC-MSOLQXFVSA-N 2 1 288.435 2.492 20 0 CEADMP CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000165959600 542179089 /nfs/dbraw/zinc/17/90/89/542179089.db2.gz AJPCBNNAMCSCAM-JKSUJKDBSA-N 2 1 279.472 2.467 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000565093459 377555716 /nfs/dbraw/zinc/55/57/16/377555716.db2.gz LUZVGDINPHVCRP-KLZNEWFBSA-N 2 1 280.456 2.105 20 0 CEADMP C[NH+](C)[C@@H](CNC(=O)C(C)(C)C[NH3+])c1ccccc1Cl ZINC000430837363 377555789 /nfs/dbraw/zinc/55/57/89/377555789.db2.gz JRNODRILDQJZNQ-ZDUSSCGKSA-N 2 1 297.830 2.044 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430969188 377581029 /nfs/dbraw/zinc/58/10/29/377581029.db2.gz YTHHQBVZUJKLBS-CABCVRRESA-N 2 1 262.397 2.433 20 0 CEADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000332379758 377583522 /nfs/dbraw/zinc/58/35/22/377583522.db2.gz YOIBFFBYNZLSPR-YCPHGPKFSA-N 2 1 291.443 2.200 20 0 CEADMP CC(C)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CCCC1 ZINC000431092304 377597116 /nfs/dbraw/zinc/59/71/16/377597116.db2.gz AIVDTNAFRPEVCQ-UHFFFAOYSA-N 2 1 266.389 2.416 20 0 CEADMP CC[NH+](CCC[N@H+](CC)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000172658207 249323642 /nfs/dbraw/zinc/32/36/42/249323642.db2.gz IQXHKBLYOVCIGR-IRXDYDNUSA-N 2 1 298.471 2.378 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCC[NH+]1CCCCCC1 ZINC000431914561 377685953 /nfs/dbraw/zinc/68/59/53/377685953.db2.gz SUGDQLJRLXPVMK-MRXNPFEDSA-N 2 1 295.471 2.243 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H]1CCCOc2ccc(OC)cc21 ZINC000566088388 377721430 /nfs/dbraw/zinc/72/14/30/377721430.db2.gz KORQTAUDNKOZGV-OAHLLOKOSA-N 2 1 278.396 2.498 20 0 CEADMP C[C@@H]([NH2+]CC1(O)CCC(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000566132367 377732404 /nfs/dbraw/zinc/73/24/04/377732404.db2.gz WOSBEVJKALPPMP-NPCAHTBFSA-N 2 1 266.429 2.168 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000566201246 377742228 /nfs/dbraw/zinc/74/22/28/377742228.db2.gz GUPPYWHTILYDRQ-MRXNPFEDSA-N 2 1 295.471 2.289 20 0 CEADMP C[C@@H](CC1CCOCC1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432432047 377762419 /nfs/dbraw/zinc/76/24/19/377762419.db2.gz XQJCGMBDEOBJAA-HOTGVXAUSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@@H](CC1CCOCC1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432432047 377762424 /nfs/dbraw/zinc/76/24/24/377762424.db2.gz XQJCGMBDEOBJAA-HOTGVXAUSA-N 2 1 298.471 2.282 20 0 CEADMP C[C@H](CCc1ccco1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000567449175 377819053 /nfs/dbraw/zinc/81/90/53/377819053.db2.gz LADHVZXECLRDOV-OAHLLOKOSA-N 2 1 293.455 2.216 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000567058996 377797358 /nfs/dbraw/zinc/79/73/58/377797358.db2.gz KYJQEJCIEXLREQ-IAGOWNOFSA-N 2 1 290.451 2.405 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000567058996 377797363 /nfs/dbraw/zinc/79/73/63/377797363.db2.gz KYJQEJCIEXLREQ-IAGOWNOFSA-N 2 1 290.451 2.405 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000567058996 377797368 /nfs/dbraw/zinc/79/73/68/377797368.db2.gz KYJQEJCIEXLREQ-IAGOWNOFSA-N 2 1 290.451 2.405 20 0 CEADMP C(C[N@H+]1CCC[C@@H]1CN1CCCCC1)[C@@H]1CCOC1 ZINC000437583884 377853199 /nfs/dbraw/zinc/85/31/99/377853199.db2.gz YGIQIBNTOPVECN-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP CCC(CC)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441342938 377936140 /nfs/dbraw/zinc/93/61/40/377936140.db2.gz FSTFLBKUZVNMCW-UHFFFAOYSA-N 2 1 255.450 2.038 20 0 CEADMP C[C@H]1CCC[C@H](C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000441360820 377938954 /nfs/dbraw/zinc/93/89/54/377938954.db2.gz YIINCWDIPSEKDK-HOTGVXAUSA-N 2 1 281.488 2.428 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC23CCCC3)CC1(C)C ZINC000442875495 378010759 /nfs/dbraw/zinc/01/07/59/378010759.db2.gz OVYBOWVTWCSFDJ-OAHLLOKOSA-N 2 1 279.472 2.325 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cn1 ZINC000442917059 378017630 /nfs/dbraw/zinc/01/76/30/378017630.db2.gz BTWOQSWOEUHZPO-CQSZACIVSA-N 2 1 264.417 2.100 20 0 CEADMP CCc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057016 378029858 /nfs/dbraw/zinc/02/98/58/378029858.db2.gz DZQQFNAWURQXTA-CQSZACIVSA-N 2 1 289.423 2.248 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443072596 378035555 /nfs/dbraw/zinc/03/55/55/378035555.db2.gz OGNZBKJQGLRRPL-GHMZBOCLSA-N 2 1 264.373 2.069 20 0 CEADMP C[N@@H+](CCN1CC[C@]2(CC[NH+](C)C2)C1)Cc1ccccc1 ZINC000295249790 378070233 /nfs/dbraw/zinc/07/02/33/378070233.db2.gz WKLCYMNPHMCSDW-SFHVURJKSA-N 2 1 287.451 2.146 20 0 CEADMP C[NH+](CCN1CC[C@]2(CC[N@H+](C)C2)C1)Cc1ccccc1 ZINC000295249790 378070235 /nfs/dbraw/zinc/07/02/35/378070235.db2.gz WKLCYMNPHMCSDW-SFHVURJKSA-N 2 1 287.451 2.146 20 0 CEADMP C[NH+](CCN1CC[C@]2(CC[N@@H+](C)C2)C1)Cc1ccccc1 ZINC000295249790 378070237 /nfs/dbraw/zinc/07/02/37/378070237.db2.gz WKLCYMNPHMCSDW-SFHVURJKSA-N 2 1 287.451 2.146 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c2ccccc21 ZINC000447532603 378113445 /nfs/dbraw/zinc/11/34/45/378113445.db2.gz WOKITXYEJABEOP-COXVUDFISA-N 2 1 276.424 2.383 20 0 CEADMP CC[C@@H](COCC(F)(F)F)[NH2+]C1CC[NH+](C)CC1 ZINC000449381263 378207507 /nfs/dbraw/zinc/20/75/07/378207507.db2.gz RIFKQBTWMFZYLV-JTQLQIEISA-N 2 1 268.323 2.028 20 0 CEADMP CCC[C@H](O)C[N@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000450375018 378381973 /nfs/dbraw/zinc/38/19/73/378381973.db2.gz DKGDFFSPVVOESH-KGLIPLIRSA-N 2 1 265.401 2.243 20 0 CEADMP CCc1cc(N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000450464286 378433435 /nfs/dbraw/zinc/43/34/35/378433435.db2.gz XLLLBQDJJCJQGP-QGZVFWFLSA-N 2 1 289.423 2.191 20 0 CEADMP CCc1cc(N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000450464286 378433442 /nfs/dbraw/zinc/43/34/42/378433442.db2.gz XLLLBQDJJCJQGP-QGZVFWFLSA-N 2 1 289.423 2.191 20 0 CEADMP Cc1cc(NC[C@H]2CCC[N@H+]2CCCO)c2ccccc2[nH+]1 ZINC000450600015 378493747 /nfs/dbraw/zinc/49/37/47/378493747.db2.gz UUWWRRYHJGAFRC-OAHLLOKOSA-N 2 1 299.418 2.224 20 0 CEADMP C[C@H](O)CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450636253 378511513 /nfs/dbraw/zinc/51/15/13/378511513.db2.gz DDBJABISRTTYIM-AWEZNQCLSA-N 2 1 277.412 2.001 20 0 CEADMP COc1nccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000296391737 378515278 /nfs/dbraw/zinc/51/52/78/378515278.db2.gz LACQUMQWTPIGKQ-CQSZACIVSA-N 2 1 292.427 2.087 20 0 CEADMP C[NH+]1CCC([NH2+]CCc2ccc(F)c(F)c2F)CC1 ZINC000346798639 218017027 /nfs/dbraw/zinc/01/70/27/218017027.db2.gz PXOCZKZTOATYBB-UHFFFAOYSA-N 2 1 272.314 2.330 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CCn3ccnc32)C1 ZINC000453104215 378803632 /nfs/dbraw/zinc/80/36/32/378803632.db2.gz DZQYTCAZISLPMN-KGLIPLIRSA-N 2 1 262.401 2.038 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2cnccn2)C1 ZINC000453103782 378804875 /nfs/dbraw/zinc/80/48/75/378804875.db2.gz DDPJLFPCJFUABW-CABCVRRESA-N 2 1 276.428 2.118 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000453117044 378810217 /nfs/dbraw/zinc/81/02/17/378810217.db2.gz ULDWCYAGRJIAMV-IRXDYDNUSA-N 2 1 291.439 2.359 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C[C@H]12 ZINC000346832668 218028456 /nfs/dbraw/zinc/02/84/56/218028456.db2.gz MABCTMVRZKGVSH-VNQPRFMTSA-N 2 1 282.391 2.246 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C[C@H]12 ZINC000346832668 218028459 /nfs/dbraw/zinc/02/84/59/218028459.db2.gz MABCTMVRZKGVSH-VNQPRFMTSA-N 2 1 282.391 2.246 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c3NCC4)C[C@@H]21 ZINC000346833760 218028623 /nfs/dbraw/zinc/02/86/23/218028623.db2.gz MOEIGPZKRHJNIW-CWRNSKLLSA-N 2 1 271.408 2.214 20 0 CEADMP COc1c(C)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000346844197 218034553 /nfs/dbraw/zinc/03/45/53/218034553.db2.gz LDXTUJNQLVMMIF-JYJNAYRXSA-N 2 1 274.408 2.481 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC000453290037 378855179 /nfs/dbraw/zinc/85/51/79/378855179.db2.gz MIADVSCMKXAIMT-XIRDDKMYSA-N 2 1 276.424 2.174 20 0 CEADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)OC ZINC000453297124 378857912 /nfs/dbraw/zinc/85/79/12/378857912.db2.gz HPOAKDNAXUYKFL-APIJFGDWSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000346860161 218038977 /nfs/dbraw/zinc/03/89/77/218038977.db2.gz IVEFWECWCBQROF-KBUPBQIOSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H]2CCC[C@H]21 ZINC000453337947 378866373 /nfs/dbraw/zinc/86/63/73/378866373.db2.gz BWGWAJJFLISSTA-MELADBBJSA-N 2 1 268.445 2.246 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@H]1C ZINC000453397757 378886858 /nfs/dbraw/zinc/88/68/58/378886858.db2.gz JWPNRCXEJPDREI-DZKIICNBSA-N 2 1 296.455 2.428 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)cn2)[C@@H](C)C1 ZINC000453419839 378897963 /nfs/dbraw/zinc/89/79/63/378897963.db2.gz JUEBMLCTPRLWNV-HOCLYGCPSA-N 2 1 261.413 2.252 20 0 CEADMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cnn(C)c1 ZINC000453421012 378897992 /nfs/dbraw/zinc/89/79/92/378897992.db2.gz ZZQFNMKUZLPNRF-OAHLLOKOSA-N 2 1 264.417 2.335 20 0 CEADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1F ZINC000453375605 378878136 /nfs/dbraw/zinc/87/81/36/378878136.db2.gz XYLCHKGQDKCTIY-WODVXLOZSA-N 2 1 263.360 2.497 20 0 CEADMP CC[N@@H+](CCc1nccs1)CC1CC[NH2+]CC1 ZINC000346983928 218080046 /nfs/dbraw/zinc/08/00/46/218080046.db2.gz OGBMCYFRJDCGHJ-UHFFFAOYSA-N 2 1 253.415 2.007 20 0 CEADMP C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000346989799 218080585 /nfs/dbraw/zinc/08/05/85/218080585.db2.gz SBIINYLQITVCFG-SUMWQHHRSA-N 2 1 274.408 2.310 20 0 CEADMP C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000346989793 218081398 /nfs/dbraw/zinc/08/13/98/218081398.db2.gz SBIINYLQITVCFG-DYVFJYSZSA-N 2 1 274.408 2.310 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000347033064 218098796 /nfs/dbraw/zinc/09/87/96/218098796.db2.gz FGFDXEXEPXZRPC-LBPRGKRZSA-N 2 1 288.313 2.408 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000347038779 218099770 /nfs/dbraw/zinc/09/97/70/218099770.db2.gz ITPXNUAHMYSIOD-MAUKXSAKSA-N 2 1 298.434 2.491 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000347038779 218099773 /nfs/dbraw/zinc/09/97/73/218099773.db2.gz ITPXNUAHMYSIOD-MAUKXSAKSA-N 2 1 298.434 2.491 20 0 CEADMP C[N@H+](Cc1c[nH]nc1-c1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347019929 218094222 /nfs/dbraw/zinc/09/42/22/218094222.db2.gz MGMDLXJXBXABNO-XYPWUTKMSA-N 2 1 297.406 2.187 20 0 CEADMP C[N@@H+](Cc1c[nH]nc1-c1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347019929 218094223 /nfs/dbraw/zinc/09/42/23/218094223.db2.gz MGMDLXJXBXABNO-XYPWUTKMSA-N 2 1 297.406 2.187 20 0 CEADMP CC(C)(C)c1ncc(C[N@@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000347079983 218116328 /nfs/dbraw/zinc/11/63/28/218116328.db2.gz WXFIVHOOXPITBR-JTQLQIEISA-N 2 1 253.415 2.221 20 0 CEADMP CC(C)(C)c1ncc(C[N@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000347079983 218116331 /nfs/dbraw/zinc/11/63/31/218116331.db2.gz WXFIVHOOXPITBR-JTQLQIEISA-N 2 1 253.415 2.221 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(SC)cc1OC ZINC000347091557 218120085 /nfs/dbraw/zinc/12/00/85/218120085.db2.gz FZGKZDBSCKTTAU-NSHDSACASA-N 2 1 296.436 2.206 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(SC)cc1OC ZINC000347091557 218120086 /nfs/dbraw/zinc/12/00/86/218120086.db2.gz FZGKZDBSCKTTAU-NSHDSACASA-N 2 1 296.436 2.206 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)CC[C@H]1[NH3+] ZINC000347147873 218137865 /nfs/dbraw/zinc/13/78/65/218137865.db2.gz YXGILGMNTRDULF-SMDDNHRTSA-N 2 1 284.350 2.500 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2sccc2OC)C1 ZINC000347178223 218147325 /nfs/dbraw/zinc/14/73/25/218147325.db2.gz SJHMGAMOUQZYNF-LLVKDONJSA-N 2 1 254.399 2.188 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2sccc2OC)C1 ZINC000347178223 218147326 /nfs/dbraw/zinc/14/73/26/218147326.db2.gz SJHMGAMOUQZYNF-LLVKDONJSA-N 2 1 254.399 2.188 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCO[C@H](CC(C)C)C2)CC1 ZINC000347342889 218198099 /nfs/dbraw/zinc/19/80/99/218198099.db2.gz PQBRFROPNOOLHR-DLBZAZTESA-N 2 1 298.471 2.281 20 0 CEADMP CC[NH+](CC)[C@@H](C)CNc1cccc(-n2cc[nH+]c2C)n1 ZINC000363721810 284756024 /nfs/dbraw/zinc/75/60/24/284756024.db2.gz LIFJWHLUOMFESY-ZDUSSCGKSA-N 2 1 287.411 2.140 20 0 CEADMP Cc1c[nH]nc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000352834041 220265016 /nfs/dbraw/zinc/26/50/16/220265016.db2.gz JZPDQTDZONHGRS-UHFFFAOYSA-N 2 1 264.417 2.464 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC[C@@H]1CCCCO1 ZINC000347482721 218250939 /nfs/dbraw/zinc/25/09/39/218250939.db2.gz KSCJYRYSHLLIPQ-YYIAUSFCSA-N 2 1 296.455 2.129 20 0 CEADMP COc1ccc2c(c1)CC[N@@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000516981452 379332509 /nfs/dbraw/zinc/33/25/09/379332509.db2.gz PBWJMTWOKQJWLK-MRXNPFEDSA-N 2 1 260.381 2.053 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000516981452 379332516 /nfs/dbraw/zinc/33/25/16/379332516.db2.gz PBWJMTWOKQJWLK-MRXNPFEDSA-N 2 1 260.381 2.053 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000518607728 379396228 /nfs/dbraw/zinc/39/62/28/379396228.db2.gz MBBYKFGORWTHHO-SJLPKXTDSA-N 2 1 299.418 2.202 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000518607728 379396240 /nfs/dbraw/zinc/39/62/40/379396240.db2.gz MBBYKFGORWTHHO-SJLPKXTDSA-N 2 1 299.418 2.202 20 0 CEADMP CC(C)C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1 ZINC000304705763 379591964 /nfs/dbraw/zinc/59/19/64/379591964.db2.gz KPFOYCILEYVGAC-HOTGVXAUSA-N 2 1 264.413 2.286 20 0 CEADMP C[C@H]1CCC[C@H](C)C1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305122102 379647895 /nfs/dbraw/zinc/64/78/95/379647895.db2.gz JYVRLTWGUYZMQE-KBPBESRZSA-N 2 1 268.445 2.248 20 0 CEADMP CC[NH+](CC)[C@H]1CCN(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347680206 218318171 /nfs/dbraw/zinc/31/81/71/218318171.db2.gz VEKFYTUCSDHZEM-ZDUSSCGKSA-N 2 1 296.484 2.121 20 0 CEADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000305218869 379686859 /nfs/dbraw/zinc/68/68/59/379686859.db2.gz KFPATMUJNXOGNM-SFHVURJKSA-N 2 1 299.418 2.151 20 0 CEADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000526062336 379697406 /nfs/dbraw/zinc/69/74/06/379697406.db2.gz NVYAMLWUYVAOKO-HNNXBMFYSA-N 2 1 289.423 2.419 20 0 CEADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000526106461 379701976 /nfs/dbraw/zinc/70/19/76/379701976.db2.gz ZIHRGSDOHHHDBX-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3cn(C)nc3c2)[C@@H](C)C1 ZINC000527963779 379860301 /nfs/dbraw/zinc/86/03/01/379860301.db2.gz PBRPRGPARRKMEL-BBRMVZONSA-N 2 1 286.423 2.393 20 0 CEADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527805332 379820480 /nfs/dbraw/zinc/82/04/80/379820480.db2.gz CTDIARVUZOOHNV-ZQIUZPCESA-N 2 1 299.418 2.030 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(CO)ccc3F)CC[C@H]21 ZINC000528409046 379962646 /nfs/dbraw/zinc/96/26/46/379962646.db2.gz WCUAHRDXTFPEFS-WMLDXEAASA-N 2 1 292.398 2.234 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(CO)ccc3F)CC[C@H]21 ZINC000528409046 379962652 /nfs/dbraw/zinc/96/26/52/379962652.db2.gz WCUAHRDXTFPEFS-WMLDXEAASA-N 2 1 292.398 2.234 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(CO)ccc3F)CC[C@H]21 ZINC000528409046 379962657 /nfs/dbraw/zinc/96/26/57/379962657.db2.gz WCUAHRDXTFPEFS-WMLDXEAASA-N 2 1 292.398 2.234 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(CO)ccc3F)CC[C@H]21 ZINC000528409046 379962663 /nfs/dbraw/zinc/96/26/63/379962663.db2.gz WCUAHRDXTFPEFS-WMLDXEAASA-N 2 1 292.398 2.234 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccnc2OC)C[C@@H]1C ZINC000488467371 380099498 /nfs/dbraw/zinc/09/94/98/380099498.db2.gz WEJFETOZOVMJGO-DZGCQCFKSA-N 2 1 277.412 2.395 20 0 CEADMP Cc1cc(NC[C@H]2CC[N@@H+](CC(C)C)C2)nc(C)[nH+]1 ZINC000268217428 190386819 /nfs/dbraw/zinc/38/68/19/190386819.db2.gz JBDBTCIZPGSHDY-CQSZACIVSA-N 2 1 262.401 2.483 20 0 CEADMP Cc1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)nc(C)[nH+]1 ZINC000268217428 190386820 /nfs/dbraw/zinc/38/68/20/190386820.db2.gz JBDBTCIZPGSHDY-CQSZACIVSA-N 2 1 262.401 2.483 20 0 CEADMP CC/C=C/CC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000574700702 299518827 /nfs/dbraw/zinc/51/88/27/299518827.db2.gz HJGAQIAXCSQVQZ-AATRIKPKSA-N 2 1 254.418 2.168 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H](O)C(F)(F)F ZINC000537096623 380236425 /nfs/dbraw/zinc/23/64/25/380236425.db2.gz FICWIWGGDNYGJI-CHWSQXEVSA-N 2 1 294.361 2.152 20 0 CEADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(O)c3)C2)C1 ZINC000334353334 380288784 /nfs/dbraw/zinc/28/87/84/380288784.db2.gz IMPHETPXHAURFC-MRXNPFEDSA-N 2 1 260.381 2.310 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(O)c3)C2)C1 ZINC000334353334 380288791 /nfs/dbraw/zinc/28/87/91/380288791.db2.gz IMPHETPXHAURFC-MRXNPFEDSA-N 2 1 260.381 2.310 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(O)c3)C2)C1 ZINC000334353334 380288795 /nfs/dbraw/zinc/28/87/95/380288795.db2.gz IMPHETPXHAURFC-MRXNPFEDSA-N 2 1 260.381 2.310 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(O)c3)C2)C1 ZINC000334353334 380288800 /nfs/dbraw/zinc/28/88/00/380288800.db2.gz IMPHETPXHAURFC-MRXNPFEDSA-N 2 1 260.381 2.310 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000547397367 380438050 /nfs/dbraw/zinc/43/80/50/380438050.db2.gz PKUGIPRFPHWZPX-OAHLLOKOSA-N 2 1 274.343 2.238 20 0 CEADMP C[C@H]1C[C@H](Nc2nc3cccc(F)c3n2C)CC[N@H+]1C ZINC000334553983 380581507 /nfs/dbraw/zinc/58/15/07/380581507.db2.gz GLPNTGUKXMCGJT-WDEREUQCSA-N 2 1 276.359 2.029 20 0 CEADMP Cn1cncc1CC[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000334557658 380588749 /nfs/dbraw/zinc/58/87/49/380588749.db2.gz NXRONFKTVRZXNN-UHFFFAOYSA-N 2 1 277.318 2.299 20 0 CEADMP Cn1cncc1CC[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000334557658 380588755 /nfs/dbraw/zinc/58/87/55/380588755.db2.gz NXRONFKTVRZXNN-UHFFFAOYSA-N 2 1 277.318 2.299 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOCC(F)(F)F)[C@H]2CCC[C@H]21 ZINC000552227662 380695782 /nfs/dbraw/zinc/69/57/82/380695782.db2.gz ZESVZDAJJNEZLU-FRRDWIJNSA-N 2 1 294.361 2.418 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CN1CC(C)(C)C1 ZINC000552996671 380719697 /nfs/dbraw/zinc/71/96/97/380719697.db2.gz BCIABNLIEAAPIG-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000552996671 380719698 /nfs/dbraw/zinc/71/96/98/380719698.db2.gz BCIABNLIEAAPIG-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000552996671 380719703 /nfs/dbraw/zinc/71/97/03/380719703.db2.gz BCIABNLIEAAPIG-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000554636678 380789973 /nfs/dbraw/zinc/78/99/73/380789973.db2.gz LHGXDPOTQQASLT-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cccc3c2NCC3)C[C@H]1C[NH3+] ZINC000334822931 207141171 /nfs/dbraw/zinc/14/11/71/207141171.db2.gz ZDZSQPHPNIVXHZ-IUODEOHRSA-N 2 1 259.397 2.071 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000334859521 207201362 /nfs/dbraw/zinc/20/13/62/207201362.db2.gz ZMWNGNWZPVTQOE-UFBFGSQYSA-N 2 1 258.287 2.192 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000334859519 207201689 /nfs/dbraw/zinc/20/16/89/207201689.db2.gz ZMWNGNWZPVTQOE-PRHODGIISA-N 2 1 258.287 2.192 20 0 CEADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000334880929 207236968 /nfs/dbraw/zinc/23/69/68/207236968.db2.gz IZYDDKZWHIIPHA-FOSCPWQOSA-N 2 1 252.308 2.337 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183956135 542296796 /nfs/dbraw/zinc/29/67/96/542296796.db2.gz MZVPNHXUYWGYDW-LBPRGKRZSA-N 2 1 264.417 2.491 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000045692016 542343141 /nfs/dbraw/zinc/34/31/41/542343141.db2.gz MQYSOEYLIVYNBV-ZIAGYGMSSA-N 3 1 255.450 2.037 20 0 CEADMP CSc1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357066877 532988495 /nfs/dbraw/zinc/98/84/95/532988495.db2.gz CUBAQDJZYMOZNF-UONOGXRCSA-N 2 1 292.448 2.329 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357066877 532988496 /nfs/dbraw/zinc/98/84/96/532988496.db2.gz CUBAQDJZYMOZNF-UONOGXRCSA-N 2 1 292.448 2.329 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnccc1C ZINC000280866852 195007824 /nfs/dbraw/zinc/00/78/24/195007824.db2.gz MJFAUXPHUQBBBI-UHFFFAOYSA-N 2 1 258.369 2.465 20 0 CEADMP Cc1ccccc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000335253216 208034737 /nfs/dbraw/zinc/03/47/37/208034737.db2.gz ROIBNJKTJMWDTE-INIZCTEOSA-N 2 1 274.408 2.182 20 0 CEADMP Fc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1Br ZINC000335275804 208081979 /nfs/dbraw/zinc/08/19/79/208081979.db2.gz DDVISOYXJFJPAV-UHFFFAOYSA-N 2 1 287.176 2.430 20 0 CEADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1C ZINC000335371961 208301766 /nfs/dbraw/zinc/30/17/66/208301766.db2.gz RHRXAMVWOSEMGX-LSDHHAIUSA-N 2 1 260.381 2.045 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1C ZINC000335371961 208301772 /nfs/dbraw/zinc/30/17/72/208301772.db2.gz RHRXAMVWOSEMGX-LSDHHAIUSA-N 2 1 260.381 2.045 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC000350333411 219008601 /nfs/dbraw/zinc/00/86/01/219008601.db2.gz SAJDCYZPIIAOLD-HNNXBMFYSA-N 2 1 295.427 2.224 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC000350333411 219008603 /nfs/dbraw/zinc/00/86/03/219008603.db2.gz SAJDCYZPIIAOLD-HNNXBMFYSA-N 2 1 295.427 2.224 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000337378185 285146851 /nfs/dbraw/zinc/14/68/51/285146851.db2.gz BXWIDFLHCHFANQ-XQLPTFJDSA-N 2 1 254.418 2.264 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000337378185 285146852 /nfs/dbraw/zinc/14/68/52/285146852.db2.gz BXWIDFLHCHFANQ-XQLPTFJDSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[S@@](C)=O)cc2)CC[N@H+]1C ZINC000353831281 220355015 /nfs/dbraw/zinc/35/50/15/220355015.db2.gz VRJSINCGMGKMIV-JOTOCRJQSA-N 2 1 294.464 2.137 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000337390031 285146514 /nfs/dbraw/zinc/14/65/14/285146514.db2.gz KHYJJXJGMYFNRL-JONQDZQNSA-N 2 1 266.429 2.408 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000337390031 285146521 /nfs/dbraw/zinc/14/65/21/285146521.db2.gz KHYJJXJGMYFNRL-JONQDZQNSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](CC)C1(C(=O)OC)CCC1 ZINC000353841385 220360476 /nfs/dbraw/zinc/36/04/76/220360476.db2.gz JNXSCXGANJWAEJ-ZIAGYGMSSA-N 2 1 284.444 2.428 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](CC)C1(C(=O)OC)CCC1 ZINC000353841385 220360481 /nfs/dbraw/zinc/36/04/81/220360481.db2.gz JNXSCXGANJWAEJ-ZIAGYGMSSA-N 2 1 284.444 2.428 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000354211030 220611469 /nfs/dbraw/zinc/61/14/69/220611469.db2.gz MADBHIRPBLSINN-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@H](O)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000281647582 195321643 /nfs/dbraw/zinc/32/16/43/195321643.db2.gz NECXFKOVYIAWLZ-OIISXLGYSA-N 2 1 276.424 2.258 20 0 CEADMP Cc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)no1 ZINC000173962920 533597069 /nfs/dbraw/zinc/59/70/69/533597069.db2.gz UNEUJJZAAIKNIH-UHFFFAOYSA-N 2 1 293.411 2.060 20 0 CEADMP CC[N@H+]1C[C@H](C)N(C(=O)CC[C@@H]2CCCC[NH+]2C)C[C@H]1C ZINC000355429525 394451508 /nfs/dbraw/zinc/45/15/08/394451508.db2.gz IPUHVTCRZRMWEE-PMPSAXMXSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1C[C@H](C)N(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC000355429525 394451510 /nfs/dbraw/zinc/45/15/10/394451510.db2.gz IPUHVTCRZRMWEE-PMPSAXMXSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1C[C@H](C)N(C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC000355429525 394451512 /nfs/dbraw/zinc/45/15/12/394451512.db2.gz IPUHVTCRZRMWEE-PMPSAXMXSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H]1CCc2ccccc2NC1=O ZINC000232696241 394481177 /nfs/dbraw/zinc/48/11/77/394481177.db2.gz MFBMLSLCZNRPPI-GOEBONIOSA-N 2 1 289.423 2.245 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H]1CCc2ccccc2NC1=O ZINC000232696241 394481180 /nfs/dbraw/zinc/48/11/80/394481180.db2.gz MFBMLSLCZNRPPI-GOEBONIOSA-N 2 1 289.423 2.245 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000067457351 394579840 /nfs/dbraw/zinc/57/98/40/394579840.db2.gz JXLJWVSDVFPDLM-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246556459 394517782 /nfs/dbraw/zinc/51/77/82/394517782.db2.gz KSLBAXQYRXWZIF-GOEBONIOSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246556459 394517785 /nfs/dbraw/zinc/51/77/85/394517785.db2.gz KSLBAXQYRXWZIF-GOEBONIOSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246556459 394517790 /nfs/dbraw/zinc/51/77/90/394517790.db2.gz KSLBAXQYRXWZIF-GOEBONIOSA-N 2 1 266.429 2.360 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)C[C@@H]1CCC[N@H+]1C ZINC000421411223 394527308 /nfs/dbraw/zinc/52/73/08/394527308.db2.gz QGDYMWHUMNVSSE-KRWDZBQOSA-N 2 1 299.422 2.102 20 0 CEADMP CCc1nc(NCCCC[N@H+](C)C2CC2)cc(C)[nH+]1 ZINC000413345867 394531549 /nfs/dbraw/zinc/53/15/49/394531549.db2.gz HBIOZXVRFKHYIX-UHFFFAOYSA-N 2 1 262.401 2.056 20 0 CEADMP CCc1nc(NCCCC[N@@H+](C)C2CC2)cc(C)[nH+]1 ZINC000413345867 394531551 /nfs/dbraw/zinc/53/15/51/394531551.db2.gz HBIOZXVRFKHYIX-UHFFFAOYSA-N 2 1 262.401 2.056 20 0 CEADMP CC(C)OCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247957030 394536297 /nfs/dbraw/zinc/53/62/97/394536297.db2.gz FQVQEEYWWVFGOD-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)OCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247957030 394536299 /nfs/dbraw/zinc/53/62/99/394536299.db2.gz FQVQEEYWWVFGOD-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)OCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247957030 394536302 /nfs/dbraw/zinc/53/63/02/394536302.db2.gz FQVQEEYWWVFGOD-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000312556543 394541820 /nfs/dbraw/zinc/54/18/20/394541820.db2.gz HJIXVUPLEZGFSL-GVXVVHGQSA-N 2 1 292.345 2.170 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccco1)N(C)C ZINC000249335500 394553473 /nfs/dbraw/zinc/55/34/73/394553473.db2.gz YQGYBNQEBUKBTB-KBUPBQIOSA-N 2 1 279.428 2.201 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccco1)N(C)C ZINC000249335500 394553477 /nfs/dbraw/zinc/55/34/77/394553477.db2.gz YQGYBNQEBUKBTB-KBUPBQIOSA-N 2 1 279.428 2.201 20 0 CEADMP CC1(C)CCC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000091662747 394658089 /nfs/dbraw/zinc/65/80/89/394658089.db2.gz CZCQDFJBHMVCIX-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CCC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000091662747 394658094 /nfs/dbraw/zinc/65/80/94/394658094.db2.gz CZCQDFJBHMVCIX-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cccnc2)CC1 ZINC000092744902 394661963 /nfs/dbraw/zinc/66/19/63/394661963.db2.gz AKIQUBXQNNFHID-AWEZNQCLSA-N 2 1 277.412 2.233 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH+](C)CC)C2)CCO1 ZINC000356972998 394669260 /nfs/dbraw/zinc/66/92/60/394669260.db2.gz AVVVHMSVOWMGEQ-ARFHVFGLSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH+]2CC[C@H](C[N@H+](C)CC)C2)CCO1 ZINC000356972998 394669263 /nfs/dbraw/zinc/66/92/63/394669263.db2.gz AVVVHMSVOWMGEQ-ARFHVFGLSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1C[C@@H](C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)CCO1 ZINC000356972998 394669267 /nfs/dbraw/zinc/66/92/67/394669267.db2.gz AVVVHMSVOWMGEQ-ARFHVFGLSA-N 2 1 268.445 2.465 20 0 CEADMP C[NH+](C)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000422711540 394732823 /nfs/dbraw/zinc/73/28/23/394732823.db2.gz NHQDAQWXAWRXMY-CWRNSKLLSA-N 2 1 279.403 2.145 20 0 CEADMP COc1cc(C)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1 ZINC000359006475 394736334 /nfs/dbraw/zinc/73/63/34/394736334.db2.gz WEEDWGJZIFTLAG-JSGCOSHPSA-N 2 1 277.412 2.279 20 0 CEADMP COc1cc(C)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)n1 ZINC000359006475 394736335 /nfs/dbraw/zinc/73/63/35/394736335.db2.gz WEEDWGJZIFTLAG-JSGCOSHPSA-N 2 1 277.412 2.279 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422717886 394738223 /nfs/dbraw/zinc/73/82/23/394738223.db2.gz KUGIJUCYLRFAAY-IXDOHACOSA-N 3 1 290.455 2.482 20 0 CEADMP CC[C@H](NCC[N@H+]1CCCC[C@H]1CC)[C@@H]1CCC[NH2+]1 ZINC000422725142 394741499 /nfs/dbraw/zinc/74/14/99/394741499.db2.gz AQUBEINXRMEZBP-PMPSAXMXSA-N 2 1 267.461 2.371 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CCO1 ZINC000356984914 394672510 /nfs/dbraw/zinc/67/25/10/394672510.db2.gz IKUAYSGCSORLSQ-OWCLPIDISA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+](C)C[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000356984914 394672513 /nfs/dbraw/zinc/67/25/13/394672513.db2.gz IKUAYSGCSORLSQ-OWCLPIDISA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@H]1C[C@H](C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000356984914 394672516 /nfs/dbraw/zinc/67/25/16/394672516.db2.gz IKUAYSGCSORLSQ-OWCLPIDISA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH2+]Cc1ccccc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000422730719 394745237 /nfs/dbraw/zinc/74/52/37/394745237.db2.gz FKRREFXCJIOENA-UHFFFAOYSA-N 2 1 289.423 2.467 20 0 CEADMP C[C@@H](NCC[N@@H+]1CCc2sccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422730374 394745356 /nfs/dbraw/zinc/74/53/56/394745356.db2.gz DPWVYKJQIIPEME-UKRRQHHQSA-N 2 1 293.480 2.226 20 0 CEADMP C[C@@H](NCC[N@H+]1CCc2sccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422730374 394745359 /nfs/dbraw/zinc/74/53/59/394745359.db2.gz DPWVYKJQIIPEME-UKRRQHHQSA-N 2 1 293.480 2.226 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000357120181 394695154 /nfs/dbraw/zinc/69/51/54/394695154.db2.gz UWXSXMRSVIQMAY-QLFBSQMISA-N 2 1 283.460 2.094 20 0 CEADMP CC(C)[NH+](C)CCCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000357120181 394695158 /nfs/dbraw/zinc/69/51/58/394695158.db2.gz UWXSXMRSVIQMAY-QLFBSQMISA-N 2 1 283.460 2.094 20 0 CEADMP CC(C)[NH+](C)CCCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357120181 394695161 /nfs/dbraw/zinc/69/51/61/394695161.db2.gz UWXSXMRSVIQMAY-QLFBSQMISA-N 2 1 283.460 2.094 20 0 CEADMP CC(C)N1CCCC[C@H]1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000334522070 394696059 /nfs/dbraw/zinc/69/60/59/394696059.db2.gz IGMSPAUZYISRCL-HOTGVXAUSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@]2(CCOC2)C1 ZINC000334522070 394696063 /nfs/dbraw/zinc/69/60/63/394696063.db2.gz IGMSPAUZYISRCL-HOTGVXAUSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@]2(CCOC2)C1 ZINC000334522070 394696065 /nfs/dbraw/zinc/69/60/65/394696065.db2.gz IGMSPAUZYISRCL-HOTGVXAUSA-N 2 1 266.429 2.362 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414077639 394696269 /nfs/dbraw/zinc/69/62/69/394696269.db2.gz RGQOQDCLWUBZSC-LBPRGKRZSA-N 2 1 273.384 2.075 20 0 CEADMP COc1ccnc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000268960348 394704721 /nfs/dbraw/zinc/70/47/21/394704721.db2.gz FQICVXBXJPSLIG-XJKSGUPXSA-N 2 1 275.396 2.006 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)n2c1 ZINC000422558533 394709729 /nfs/dbraw/zinc/70/97/29/394709729.db2.gz BAQQJQSPZRXWCM-ZNMIVQPWSA-N 2 1 286.423 2.448 20 0 CEADMP CC(C)[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000358224636 394712655 /nfs/dbraw/zinc/71/26/55/394712655.db2.gz CAYLLFPCTQOMIJ-CVEARBPZSA-N 2 1 298.377 2.318 20 0 CEADMP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000358224636 394712662 /nfs/dbraw/zinc/71/26/62/394712662.db2.gz CAYLLFPCTQOMIJ-CVEARBPZSA-N 2 1 298.377 2.318 20 0 CEADMP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000358224636 394712667 /nfs/dbraw/zinc/71/26/67/394712667.db2.gz CAYLLFPCTQOMIJ-CVEARBPZSA-N 2 1 298.377 2.318 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422735239 394747138 /nfs/dbraw/zinc/74/71/38/394747138.db2.gz DQJSXBZGXLTNNP-HRCADAONSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(-n3cncn3)cc2)C[C@@H]1C[NH3+] ZINC000422563625 394712842 /nfs/dbraw/zinc/71/28/42/394712842.db2.gz UAAKQTXUFLBSFZ-FMKPAKJESA-N 2 1 299.422 2.073 20 0 CEADMP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C2 ZINC000334821522 394713861 /nfs/dbraw/zinc/71/38/61/394713861.db2.gz PQZVAEGJJGEZNL-KGLIPLIRSA-N 2 1 250.773 2.149 20 0 CEADMP COc1ccc2c(c1)C[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000334871924 394717222 /nfs/dbraw/zinc/71/72/22/394717222.db2.gz CKYLTXBORYUWDA-KGLIPLIRSA-N 2 1 274.408 2.441 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422735544 394747519 /nfs/dbraw/zinc/74/75/19/394747519.db2.gz FEACFVCHAFEKNV-HUUCEWRRSA-N 3 1 255.450 2.214 20 0 CEADMP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422641616 394723720 /nfs/dbraw/zinc/72/37/20/394723720.db2.gz YBRINNCXUWLIIW-UGUYLWEFSA-N 2 1 297.487 2.185 20 0 CEADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422641616 394723725 /nfs/dbraw/zinc/72/37/25/394723725.db2.gz YBRINNCXUWLIIW-UGUYLWEFSA-N 2 1 297.487 2.185 20 0 CEADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000414182220 394724213 /nfs/dbraw/zinc/72/42/13/394724213.db2.gz MZXNRHQXONIENI-KFWWJZLASA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422704012 394728358 /nfs/dbraw/zinc/72/83/58/394728358.db2.gz OLFOOKWYRCJDBF-SNPRPXQTSA-N 2 1 254.418 2.048 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422736056 394748392 /nfs/dbraw/zinc/74/83/92/394748392.db2.gz VRWUMKWVVHCZRI-ARFHVFGLSA-N 2 1 267.461 2.229 20 0 CEADMP CC[C@@H]1CCCCN1CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422736056 394748393 /nfs/dbraw/zinc/74/83/93/394748393.db2.gz VRWUMKWVVHCZRI-ARFHVFGLSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414822626 394753084 /nfs/dbraw/zinc/75/30/84/394753084.db2.gz NHPDUKJCBIMZSN-YQQAZPJKSA-N 2 1 275.440 2.366 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2(COC)CCC2)C1 ZINC000361307590 394822258 /nfs/dbraw/zinc/82/22/58/394822258.db2.gz HDVWLFMGQOBWJA-HNNXBMFYSA-N 2 1 268.445 2.467 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2(COC)CCC2)C1 ZINC000361307590 394822262 /nfs/dbraw/zinc/82/22/62/394822262.db2.gz HDVWLFMGQOBWJA-HNNXBMFYSA-N 2 1 268.445 2.467 20 0 CEADMP COc1ccc(CCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422746048 394755611 /nfs/dbraw/zinc/75/56/11/394755611.db2.gz YVLYIDUHAPBNDG-BBRMVZONSA-N 2 1 262.397 2.215 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1C[NH2+]C1 ZINC000422839186 394822285 /nfs/dbraw/zinc/82/22/85/394822285.db2.gz PUCGISUSQFRBLK-VKJFTORMSA-N 2 1 287.451 2.095 20 0 CEADMP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)C1C[NH2+]C1 ZINC000422839186 394822287 /nfs/dbraw/zinc/82/22/87/394822287.db2.gz PUCGISUSQFRBLK-VKJFTORMSA-N 2 1 287.451 2.095 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccccc1OC(F)F ZINC000414829977 394757728 /nfs/dbraw/zinc/75/77/28/394757728.db2.gz BSKPMCXAURLHNV-SNVBAGLBSA-N 2 1 258.312 2.233 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccccc1OC(F)F ZINC000414829974 394757810 /nfs/dbraw/zinc/75/78/10/394757810.db2.gz BSKPMCXAURLHNV-JTQLQIEISA-N 2 1 258.312 2.233 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422839617 394822459 /nfs/dbraw/zinc/82/24/59/394822459.db2.gz QWSUZCRFWQYOFP-BJJXKVORSA-N 3 1 290.455 2.372 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCN(C)c1ccccc1 ZINC000422756519 394761717 /nfs/dbraw/zinc/76/17/17/394761717.db2.gz IYSTUONMCRXYPU-GOEBONIOSA-N 2 1 261.413 2.101 20 0 CEADMP COc1cc(C)c(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1OC ZINC000414836719 394762507 /nfs/dbraw/zinc/76/25/07/394762507.db2.gz IXOUTGRXWHEJFL-CQSZACIVSA-N 2 1 280.412 2.475 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)C1CCCCC1 ZINC000414836284 394762554 /nfs/dbraw/zinc/76/25/54/394762554.db2.gz IKCJHTVDQIBORO-QGZVFWFLSA-N 2 1 299.422 2.265 20 0 CEADMP C[NH2+]CC[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000414837567 394762627 /nfs/dbraw/zinc/76/26/27/394762627.db2.gz XXRVPCIHCYWRPI-JTQLQIEISA-N 2 1 271.202 2.189 20 0 CEADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414839084 394763560 /nfs/dbraw/zinc/76/35/60/394763560.db2.gz FRWAKMDOVCGKJA-HOTGVXAUSA-N 2 1 280.387 2.115 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000414847593 394767956 /nfs/dbraw/zinc/76/79/56/394767956.db2.gz WBCUJGVDACFCRR-VYDXJSESSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422764598 394768033 /nfs/dbraw/zinc/76/80/33/394768033.db2.gz PXGCWFROLPLVHR-QLFBSQMISA-N 3 1 269.477 2.460 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000422764598 394768035 /nfs/dbraw/zinc/76/80/35/394768035.db2.gz PXGCWFROLPLVHR-QLFBSQMISA-N 2 1 269.477 2.460 20 0 CEADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414848111 394768288 /nfs/dbraw/zinc/76/82/88/394768288.db2.gz PMZJFZBAQSBBKA-BXUZGUMPSA-N 2 1 295.814 2.399 20 0 CEADMP C[NH+](C)Cc1cnc(CN[C@@H](C[NH3+])C2CCCCC2)s1 ZINC000414853849 394770936 /nfs/dbraw/zinc/77/09/36/394770936.db2.gz UBCNDFOPFMCMSL-AWEZNQCLSA-N 2 1 296.484 2.202 20 0 CEADMP CC(C)c1ncc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)s1 ZINC000414960430 394826294 /nfs/dbraw/zinc/82/62/94/394826294.db2.gz QSMBYUFCVXKRFJ-ZYHUDNBSSA-N 2 1 253.415 2.354 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422772044 394773280 /nfs/dbraw/zinc/77/32/80/394773280.db2.gz YADUQQAEDTUROF-XUWVNRHRSA-N 2 1 281.488 2.331 20 0 CEADMP COc1cc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)ccc1C ZINC000422776475 394776794 /nfs/dbraw/zinc/77/67/94/394776794.db2.gz DRPJSDXSQGETEB-DOMZBBRYSA-N 2 1 262.397 2.134 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000422777998 394777612 /nfs/dbraw/zinc/77/76/12/394777612.db2.gz DHMHIAVUGZYFCR-FUHWJXTLSA-N 2 1 289.467 2.486 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000422777998 394777614 /nfs/dbraw/zinc/77/76/14/394777614.db2.gz DHMHIAVUGZYFCR-FUHWJXTLSA-N 3 1 289.467 2.486 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000422777998 394777615 /nfs/dbraw/zinc/77/76/15/394777615.db2.gz DHMHIAVUGZYFCR-FUHWJXTLSA-N 3 1 289.467 2.486 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)CCO1 ZINC000414870815 394781053 /nfs/dbraw/zinc/78/10/53/394781053.db2.gz CVXUTNXADHPLDA-SJORKVTESA-N 2 1 291.439 2.355 20 0 CEADMP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414870860 394781070 /nfs/dbraw/zinc/78/10/70/394781070.db2.gz SYWSSEZKNCTCMM-SWLSCSKDSA-N 2 1 250.361 2.488 20 0 CEADMP C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422785964 394783807 /nfs/dbraw/zinc/78/38/07/394783807.db2.gz PWNKAXBJZNPSKH-BHYGNILZSA-N 2 1 276.424 2.273 20 0 CEADMP COCC1(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CCC1 ZINC000361323402 394824147 /nfs/dbraw/zinc/82/41/47/394824147.db2.gz FPBAWXBZUMCIKJ-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP COCC1(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CCC1 ZINC000361323402 394824150 /nfs/dbraw/zinc/82/41/50/394824150.db2.gz FPBAWXBZUMCIKJ-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP COCC1(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000361323402 394824152 /nfs/dbraw/zinc/82/41/52/394824152.db2.gz FPBAWXBZUMCIKJ-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP COCC1(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000361323402 394824155 /nfs/dbraw/zinc/82/41/55/394824155.db2.gz FPBAWXBZUMCIKJ-ZIAGYGMSSA-N 2 1 254.418 2.218 20 0 CEADMP [NH3+]C1CCC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000422789192 394786911 /nfs/dbraw/zinc/78/69/11/394786911.db2.gz BHDOEPHUCXGAGB-GPANFISMSA-N 3 1 265.445 2.110 20 0 CEADMP [NH3+]C1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000422789192 394786914 /nfs/dbraw/zinc/78/69/14/394786914.db2.gz BHDOEPHUCXGAGB-GPANFISMSA-N 3 1 265.445 2.110 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000414955726 394824242 /nfs/dbraw/zinc/82/42/42/394824242.db2.gz MSINSJYFHYMGMI-IUODEOHRSA-N 2 1 262.397 2.140 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000422791211 394788949 /nfs/dbraw/zinc/78/89/49/394788949.db2.gz VSABAGIQXZFDMG-ZFWWWQNUSA-N 2 1 272.396 2.014 20 0 CEADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+](CC)CC ZINC000360121706 394790020 /nfs/dbraw/zinc/79/00/20/394790020.db2.gz ASAUCUIENSIWGL-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1ccccc1O[C@@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422794706 394791153 /nfs/dbraw/zinc/79/11/53/394791153.db2.gz URCHDTUUYZDVJH-RRFJBIMHSA-N 2 1 262.397 2.492 20 0 CEADMP Cc1ccccc1O[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422794703 394791655 /nfs/dbraw/zinc/79/16/55/394791655.db2.gz URCHDTUUYZDVJH-QLFBSQMISA-N 2 1 262.397 2.492 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1ccc(OCC2CC2)cc1)C1CC1 ZINC000414894839 394792845 /nfs/dbraw/zinc/79/28/45/394792845.db2.gz UOHPTYHILFMXKR-INIZCTEOSA-N 2 1 260.381 2.302 20 0 CEADMP COc1ccsc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414896030 394793648 /nfs/dbraw/zinc/79/36/48/394793648.db2.gz ARTXBOGTWHFOQY-ZDUSSCGKSA-N 2 1 254.399 2.236 20 0 CEADMP CC[C@@H](NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422802328 394797738 /nfs/dbraw/zinc/79/77/38/394797738.db2.gz HHVBYSFZXBVMGK-ILXRZTDVSA-N 2 1 281.469 2.471 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1O ZINC000414907395 394798716 /nfs/dbraw/zinc/79/87/16/394798716.db2.gz ASFHWPWMWQWABO-IPYPFGDCSA-N 2 1 292.423 2.310 20 0 CEADMP Clc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000414908219 394798849 /nfs/dbraw/zinc/79/88/49/394798849.db2.gz OEKZIVDQMPHAIP-GFCCVEGCSA-N 2 1 296.798 2.343 20 0 CEADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414910354 394799836 /nfs/dbraw/zinc/79/98/36/394799836.db2.gz UWVSXNKFRITTRC-RRFJBIMHSA-N 3 1 253.434 2.029 20 0 CEADMP c1nc([C@@H]2CCCO2)sc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414911636 394801034 /nfs/dbraw/zinc/80/10/34/394801034.db2.gz XBOJNNWVVXTGBG-YPMHNXCESA-N 2 1 281.425 2.226 20 0 CEADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)CC1CCOCC1 ZINC000414927682 394807157 /nfs/dbraw/zinc/80/71/57/394807157.db2.gz MICJZLINVXTWLQ-GUTXKFCHSA-N 2 1 254.418 2.027 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2ccc(F)cc2)CC[NH2+]1 ZINC000414940473 394813425 /nfs/dbraw/zinc/81/34/25/394813425.db2.gz BOCINLPMCPFOPA-GXTWGEPZSA-N 2 1 288.370 2.242 20 0 CEADMP COC[C@]1(C[NH2+][C@H](C)Cc2ccccc2C)CCC[NH2+]1 ZINC000414951010 394820410 /nfs/dbraw/zinc/82/04/10/394820410.db2.gz GCDTYSUFLHUMSD-NVXWUHKLSA-N 2 1 276.424 2.284 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000414750793 394750543 /nfs/dbraw/zinc/75/05/43/394750543.db2.gz YTSJOECUGPGUEG-LSDHHAIUSA-N 2 1 254.418 2.108 20 0 CEADMP COC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000422920036 394862942 /nfs/dbraw/zinc/86/29/42/394862942.db2.gz LJPJMDBQHKXYOT-HUUCEWRRSA-N 2 1 266.360 2.245 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1C ZINC000415052073 394864924 /nfs/dbraw/zinc/86/49/24/394864924.db2.gz HDHPTNWNVFOOND-MLGOLLRUSA-N 2 1 278.444 2.327 20 0 CEADMP C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C1C[NH2+]C1 ZINC000422928604 394865530 /nfs/dbraw/zinc/86/55/30/394865530.db2.gz LQVQQMULJQYKIB-JTQLQIEISA-N 2 1 296.798 2.199 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000415059546 394868519 /nfs/dbraw/zinc/86/85/19/394868519.db2.gz YKEASBQEUOLYCF-IUODEOHRSA-N 2 1 296.484 2.406 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000415059546 394868522 /nfs/dbraw/zinc/86/85/22/394868522.db2.gz YKEASBQEUOLYCF-IUODEOHRSA-N 2 1 296.484 2.406 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422969739 394870294 /nfs/dbraw/zinc/87/02/94/394870294.db2.gz DMICKKREKAOGSU-JQHSSLGASA-N 2 1 289.467 2.266 20 0 CEADMP C[C@H]1C[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000129758865 394873346 /nfs/dbraw/zinc/87/33/46/394873346.db2.gz QQUUCFGPNHCADR-STQMWFEESA-N 2 1 267.461 2.368 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCN1C ZINC000129758865 394873350 /nfs/dbraw/zinc/87/33/50/394873350.db2.gz QQUUCFGPNHCADR-STQMWFEESA-N 2 1 267.461 2.368 20 0 CEADMP C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 ZINC000422985468 394873726 /nfs/dbraw/zinc/87/37/26/394873726.db2.gz DYJNOXCOETZXLY-PQEBFOHHSA-N 2 1 274.408 2.494 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000415071751 394874837 /nfs/dbraw/zinc/87/48/37/394874837.db2.gz UPZXAMZFSJETNR-UHFFFAOYSA-N 2 1 276.428 2.158 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCOCC(F)(F)F)CC[N@H+]1C ZINC000130017746 394879414 /nfs/dbraw/zinc/87/94/14/394879414.db2.gz HQJVMAIRSLBXML-GHMZBOCLSA-N 2 1 268.323 2.028 20 0 CEADMP COCCOc1cc(C)ccc1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415082904 394880665 /nfs/dbraw/zinc/88/06/65/394880665.db2.gz MIWGBNYFZBDTKT-QGZVFWFLSA-N 2 1 292.423 2.109 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC[NH2+]1 ZINC000414962778 394826966 /nfs/dbraw/zinc/82/69/66/394826966.db2.gz ZZMGZKBIIJFKFF-RHSMWYFYSA-N 2 1 284.407 2.162 20 0 CEADMP CC[NH2+][C@H](C)CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000414969612 394831482 /nfs/dbraw/zinc/83/14/82/394831482.db2.gz ZLWDLANKWHFIJC-UXLLHSPISA-N 2 1 275.440 2.095 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CC(F)(F)C3)CC[C@H]21 ZINC000336203014 394833821 /nfs/dbraw/zinc/83/38/21/394833821.db2.gz UDKABIZOADWKHJ-CHWSQXEVSA-N 2 1 258.356 2.448 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CC(F)(F)C3)CC[C@H]21 ZINC000336203014 394833826 /nfs/dbraw/zinc/83/38/26/394833826.db2.gz UDKABIZOADWKHJ-CHWSQXEVSA-N 2 1 258.356 2.448 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(Br)c1 ZINC000414978512 394835022 /nfs/dbraw/zinc/83/50/22/394835022.db2.gz MDACNIIXNPHAAV-LLVKDONJSA-N 2 1 257.175 2.276 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CCOCC1 ZINC000361733494 394835265 /nfs/dbraw/zinc/83/52/65/394835265.db2.gz BXMGJHPFYMRWCP-SNPRPXQTSA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCOCC1 ZINC000361733494 394835267 /nfs/dbraw/zinc/83/52/67/394835267.db2.gz BXMGJHPFYMRWCP-SNPRPXQTSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1ccc(OCCC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422863213 394836028 /nfs/dbraw/zinc/83/60/28/394836028.db2.gz RGPRMAQZSNHGQR-HOCLYGCPSA-N 2 1 262.397 2.494 20 0 CEADMP CCOC(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OCC ZINC000124373661 394837798 /nfs/dbraw/zinc/83/77/98/394837798.db2.gz KHDUTDAAFMIYGH-HNNXBMFYSA-N 2 1 284.444 2.336 20 0 CEADMP CCOC(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OCC ZINC000124373661 394837800 /nfs/dbraw/zinc/83/78/00/394837800.db2.gz KHDUTDAAFMIYGH-HNNXBMFYSA-N 2 1 284.444 2.336 20 0 CEADMP C[C@@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422868102 394839199 /nfs/dbraw/zinc/83/91/99/394839199.db2.gz UKUIMDXTHXARAG-QKPAOTATSA-N 2 1 267.461 2.227 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422870356 394841185 /nfs/dbraw/zinc/84/11/85/394841185.db2.gz YPMWEBMSQUJJFM-HZPDHXFCSA-N 2 1 275.396 2.395 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+][C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422874464 394841922 /nfs/dbraw/zinc/84/19/22/394841922.db2.gz ABXUKXHPNKHDLK-LXTVHRRPSA-N 3 1 255.450 2.070 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+][C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422874464 394841927 /nfs/dbraw/zinc/84/19/27/394841927.db2.gz ABXUKXHPNKHDLK-LXTVHRRPSA-N 3 1 255.450 2.070 20 0 CEADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)CCC[NH3+] ZINC000422874463 394842729 /nfs/dbraw/zinc/84/27/29/394842729.db2.gz ABXUKXHPNKHDLK-LJISPDSOSA-N 3 1 255.450 2.070 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)CCC[NH3+] ZINC000422874463 394842732 /nfs/dbraw/zinc/84/27/32/394842732.db2.gz ABXUKXHPNKHDLK-LJISPDSOSA-N 3 1 255.450 2.070 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC1([NH+](C)C)CCCC1 ZINC000125529212 394844237 /nfs/dbraw/zinc/84/42/37/394844237.db2.gz PBXRSTNWGDBXRL-QLFBSQMISA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000422877105 394844675 /nfs/dbraw/zinc/84/46/75/394844675.db2.gz QZSFURQQSMJYJD-IVSAIRAKSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000422877105 394844680 /nfs/dbraw/zinc/84/46/80/394844680.db2.gz QZSFURQQSMJYJD-IVSAIRAKSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN(C)c1ccccc1 ZINC000125879568 394845193 /nfs/dbraw/zinc/84/51/93/394845193.db2.gz VVDBXVZFJRONMA-INMHGKMJSA-N 2 1 275.440 2.441 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000415008948 394847594 /nfs/dbraw/zinc/84/75/94/394847594.db2.gz NLQSTJGGIYHUOJ-ZJUUUORDSA-N 2 1 258.312 2.156 20 0 CEADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000415010542 394848343 /nfs/dbraw/zinc/84/83/43/394848343.db2.gz VEVKYPWGXUKBDD-NSHDSACASA-N 2 1 286.370 2.042 20 0 CEADMP COc1cc(Cl)ccc1C[NH2+]C1CC[NH2+]CC1 ZINC000415087202 394884012 /nfs/dbraw/zinc/88/40/12/394884012.db2.gz VOGZMIQNUUYYPL-UHFFFAOYSA-N 2 1 254.761 2.190 20 0 CEADMP Cc1cc(Cl)cc(C)c1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415038944 394859782 /nfs/dbraw/zinc/85/97/82/394859782.db2.gz MOICLYFIYQEQTF-CQSZACIVSA-N 2 1 282.815 2.425 20 0 CEADMP CN(C)c1ncc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415041562 394860271 /nfs/dbraw/zinc/86/02/71/394860271.db2.gz LMCTTXRCYSOJAW-OCCSQVGLSA-N 2 1 294.468 2.173 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415041562 394860274 /nfs/dbraw/zinc/86/02/74/394860274.db2.gz LMCTTXRCYSOJAW-OCCSQVGLSA-N 2 1 294.468 2.173 20 0 CEADMP CCn1cc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000422913563 394860470 /nfs/dbraw/zinc/86/04/70/394860470.db2.gz QFJFYLFLSKOBHX-ZFWWWQNUSA-N 2 1 264.417 2.303 20 0 CEADMP CCCn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415041840 394860524 /nfs/dbraw/zinc/86/05/24/394860524.db2.gz LUJRWFVVJXKXGV-HZPDHXFCSA-N 2 1 276.428 2.257 20 0 CEADMP CCCn1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415041840 394860528 /nfs/dbraw/zinc/86/05/28/394860528.db2.gz LUJRWFVVJXKXGV-HZPDHXFCSA-N 2 1 276.428 2.257 20 0 CEADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CC1([NH3+])CCC1)CC2 ZINC000423317126 394889736 /nfs/dbraw/zinc/88/97/36/394889736.db2.gz CHKOHXOFOBZEBY-ZDUSSCGKSA-N 2 1 276.380 2.162 20 0 CEADMP C[N@H+]1CC[C@H](NCC2([NH3+])CCC2)C[C@@H]1c1ccccc1 ZINC000423321907 394889790 /nfs/dbraw/zinc/88/97/90/394889790.db2.gz ICCJHMBFJDMEFJ-JKSUJKDBSA-N 2 1 273.424 2.293 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)CCCO1 ZINC000415101608 394890319 /nfs/dbraw/zinc/89/03/19/394890319.db2.gz CJMZDFCBPQOPBO-KRWDZBQOSA-N 2 1 290.407 2.025 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)CCCO1 ZINC000415101608 394890321 /nfs/dbraw/zinc/89/03/21/394890321.db2.gz CJMZDFCBPQOPBO-KRWDZBQOSA-N 2 1 290.407 2.025 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415100326 394890445 /nfs/dbraw/zinc/89/04/45/394890445.db2.gz ABQYDRXTJAYDIB-TZMCWYRMSA-N 2 1 264.417 2.189 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415100326 394890448 /nfs/dbraw/zinc/89/04/48/394890448.db2.gz ABQYDRXTJAYDIB-TZMCWYRMSA-N 2 1 264.417 2.189 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)cc1N(C)C ZINC000423341255 394892093 /nfs/dbraw/zinc/89/20/93/394892093.db2.gz XXAUHFHSGDXHRV-NSHDSACASA-N 2 1 265.376 2.424 20 0 CEADMP C[C@H]1C[C@@H](N(C)Cc2nc3ccccc3[nH]2)CC[N@H+]1C ZINC000130663909 394892746 /nfs/dbraw/zinc/89/27/46/394892746.db2.gz QKCMOUSNHALERF-STQMWFEESA-N 2 1 272.396 2.477 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCNC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000415121404 394896440 /nfs/dbraw/zinc/89/64/40/394896440.db2.gz HCLZZIRRUSWEEL-BFYDXBDKSA-N 2 1 273.424 2.021 20 0 CEADMP C[C@@H]1C[C@H](CN2CC[NH2+]C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000415121404 394896442 /nfs/dbraw/zinc/89/64/42/394896442.db2.gz HCLZZIRRUSWEEL-BFYDXBDKSA-N 2 1 273.424 2.021 20 0 CEADMP CCCNC(=O)C1([NH2+]C[C@@H]([NH3+])CC(C)C)CCCCC1 ZINC000415122081 394896537 /nfs/dbraw/zinc/89/65/37/394896537.db2.gz ZPFKQNVVRMAANV-AWEZNQCLSA-N 2 1 283.460 2.179 20 0 CEADMP CCN(CC)c1ncc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000415125382 394897446 /nfs/dbraw/zinc/89/74/46/394897446.db2.gz LBFAASMJVOZAOS-STQMWFEESA-N 2 1 296.484 2.406 20 0 CEADMP CCN(CC)c1ncc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000415125382 394897449 /nfs/dbraw/zinc/89/74/49/394897449.db2.gz LBFAASMJVOZAOS-STQMWFEESA-N 2 1 296.484 2.406 20 0 CEADMP COCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415125407 394898163 /nfs/dbraw/zinc/89/81/63/394898163.db2.gz LDRILHJTWXFUOK-ZBFHGGJFSA-N 2 1 292.423 2.129 20 0 CEADMP C[C@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1C[NH3+] ZINC000415123140 394898343 /nfs/dbraw/zinc/89/83/43/394898343.db2.gz IZQZQKHVSFKLSD-GXTWGEPZSA-N 2 1 264.417 2.055 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1C[NH3+] ZINC000415123140 394898344 /nfs/dbraw/zinc/89/83/44/394898344.db2.gz IZQZQKHVSFKLSD-GXTWGEPZSA-N 2 1 264.417 2.055 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423365835 394902552 /nfs/dbraw/zinc/90/25/52/394902552.db2.gz BYXPQWYDXAOHFC-NJVJYBDUSA-N 2 1 264.413 2.064 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000423369581 394904382 /nfs/dbraw/zinc/90/43/82/394904382.db2.gz SRWXFOALBPLKDD-XYVMCAHJSA-N 2 1 287.451 2.095 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCc2c1cccc2Br ZINC000423370728 394904509 /nfs/dbraw/zinc/90/45/09/394904509.db2.gz PUJYNTCVQQRBIG-UFBFGSQYSA-N 2 1 269.186 2.373 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000423374924 394906049 /nfs/dbraw/zinc/90/60/49/394906049.db2.gz UCIKLHAJYNCTCN-ZANVPECISA-N 2 1 263.341 2.167 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000364465076 394906770 /nfs/dbraw/zinc/90/67/70/394906770.db2.gz ZUBBPDJNHIBAMQ-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000423378691 394908394 /nfs/dbraw/zinc/90/83/94/394908394.db2.gz MOVOVIKFPBEDIS-WQGACYEGSA-N 2 1 275.396 2.436 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000423392249 394912235 /nfs/dbraw/zinc/91/22/35/394912235.db2.gz LOHICHXLUGJSKW-ONERCXAPSA-N 2 1 263.360 2.259 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423398031 394914907 /nfs/dbraw/zinc/91/49/07/394914907.db2.gz SUSZOXRMGHEPMG-CJNGLKHVSA-N 2 1 289.423 2.263 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1C[NH2+]C2 ZINC000423399769 394915674 /nfs/dbraw/zinc/91/56/74/394915674.db2.gz UZABDDDIOCAGPB-SJORKVTESA-N 3 1 271.408 2.006 20 0 CEADMP c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1C[NH2+]C2 ZINC000423399769 394915677 /nfs/dbraw/zinc/91/56/77/394915677.db2.gz UZABDDDIOCAGPB-SJORKVTESA-N 2 1 271.408 2.006 20 0 CEADMP c1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1C[NH2+]C2 ZINC000423399769 394915682 /nfs/dbraw/zinc/91/56/82/394915682.db2.gz UZABDDDIOCAGPB-SJORKVTESA-N 2 1 271.408 2.006 20 0 CEADMP CC(C)(C)c1ncc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)cn1 ZINC000365613412 394929163 /nfs/dbraw/zinc/92/91/63/394929163.db2.gz PQIGJRJGJBGCAB-GFCCVEGCSA-N 2 1 285.395 2.144 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C[C@@]1(C)C[NH3+] ZINC000423505250 394939341 /nfs/dbraw/zinc/93/93/41/394939341.db2.gz GWRYQCFYVWCWKP-OXGONZEZSA-N 2 1 278.440 2.251 20 0 CEADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccco1 ZINC000423508125 394940174 /nfs/dbraw/zinc/94/01/74/394940174.db2.gz KNFAGUVSUPOLTG-WLYUNCDWSA-N 2 1 277.412 2.147 20 0 CEADMP Cc1nc2c(s1)[C@@H]([NH2+]CCC[NH+](C)C)CCC2 ZINC000151947556 394981948 /nfs/dbraw/zinc/98/19/48/394981948.db2.gz QDYIXIUPZDTQIA-NSHDSACASA-N 2 1 253.415 2.370 20 0 CEADMP CN(C(=O)CC(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370816775 395015009 /nfs/dbraw/zinc/01/50/09/395015009.db2.gz BHVNQDFHTBOVMA-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP C1CC2(C1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)[C@H]1CCO[C@H]12 ZINC000342542101 395016844 /nfs/dbraw/zinc/01/68/44/395016844.db2.gz NVRBYADXCMKRCT-OXGONZEZSA-N 2 1 276.424 2.160 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000344120677 395050752 /nfs/dbraw/zinc/05/07/52/395050752.db2.gz BTEBJBRYPAAWIN-GOEBONIOSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000159962911 395060381 /nfs/dbraw/zinc/06/03/81/395060381.db2.gz BUNGYCTUBVKECM-SYQHCUMBSA-N 2 1 254.418 2.262 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000162210847 395071750 /nfs/dbraw/zinc/07/17/50/395071750.db2.gz YGRWHSKEJVPGOG-WBVHZDCISA-N 2 1 296.455 2.131 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CCCCC2)CC[N@@H+]1C ZINC000417369908 395120149 /nfs/dbraw/zinc/12/01/49/395120149.db2.gz RYOCRUDIMFZFQF-KBMXLJTQSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CCCCC2)CC[N@H+]1C ZINC000417369908 395120152 /nfs/dbraw/zinc/12/01/52/395120152.db2.gz RYOCRUDIMFZFQF-KBMXLJTQSA-N 2 1 268.445 2.390 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428038318 395133507 /nfs/dbraw/zinc/13/35/07/395133507.db2.gz XNOUHSZBWSKTAP-CVEARBPZSA-N 2 1 274.408 2.448 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000494318867 395108532 /nfs/dbraw/zinc/10/85/32/395108532.db2.gz YJWBJXDEYGWULK-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP COCc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)o1 ZINC000290605212 395110032 /nfs/dbraw/zinc/11/00/32/395110032.db2.gz WETCROAMIVTKFV-IUODEOHRSA-N 2 1 266.385 2.198 20 0 CEADMP COCc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)o1 ZINC000290605212 395110035 /nfs/dbraw/zinc/11/00/35/395110035.db2.gz WETCROAMIVTKFV-IUODEOHRSA-N 2 1 266.385 2.198 20 0 CEADMP CC[NH+](CC)CC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000377315080 395136596 /nfs/dbraw/zinc/13/65/96/395136596.db2.gz ABBOZMVRJMTQNP-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCOc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)ccc1OC ZINC000291641750 395147680 /nfs/dbraw/zinc/14/76/80/395147680.db2.gz BQOILBDPEXXRIC-ZDUSSCGKSA-N 2 1 280.412 2.381 20 0 CEADMP CSC1(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000377697590 395142620 /nfs/dbraw/zinc/14/26/20/395142620.db2.gz OCKCAPDSLGJTCP-ZDUSSCGKSA-N 2 1 254.443 2.300 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000349054714 395157864 /nfs/dbraw/zinc/15/78/64/395157864.db2.gz GSBUXKZQKJUQGU-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000349054714 395157868 /nfs/dbraw/zinc/15/78/68/395157868.db2.gz GSBUXKZQKJUQGU-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000349054714 395157871 /nfs/dbraw/zinc/15/78/71/395157871.db2.gz GSBUXKZQKJUQGU-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[C@H]1CCC[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000351541662 395228198 /nfs/dbraw/zinc/22/81/98/395228198.db2.gz XOULSAZRFBKOEE-HOTGVXAUSA-N 2 1 268.445 2.486 20 0 CEADMP CCCCC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351541662 395228199 /nfs/dbraw/zinc/22/81/99/395228199.db2.gz XOULSAZRFBKOEE-HOTGVXAUSA-N 2 1 268.445 2.486 20 0 CEADMP CCCCC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351541662 395228203 /nfs/dbraw/zinc/22/82/03/395228203.db2.gz XOULSAZRFBKOEE-HOTGVXAUSA-N 2 1 268.445 2.486 20 0 CEADMP CCCCC[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351541662 395228207 /nfs/dbraw/zinc/22/82/07/395228207.db2.gz XOULSAZRFBKOEE-HOTGVXAUSA-N 2 1 268.445 2.486 20 0 CEADMP CCCCC[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351541662 395228210 /nfs/dbraw/zinc/22/82/10/395228210.db2.gz XOULSAZRFBKOEE-HOTGVXAUSA-N 2 1 268.445 2.486 20 0 CEADMP COCC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000384351464 395193060 /nfs/dbraw/zinc/19/30/60/395193060.db2.gz HLRZIELRPKYDCQ-OAHLLOKOSA-N 2 1 262.397 2.135 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000418204569 395193974 /nfs/dbraw/zinc/19/39/74/395193974.db2.gz XRZLRKUHUXZUJH-RBSFLKMASA-N 2 1 298.475 2.018 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000438196681 395210615 /nfs/dbraw/zinc/21/06/15/395210615.db2.gz DKGQAXYGTWYTTG-LSDHHAIUSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@H+](CC[NH2+]CC[C@H]1CCOC1)C1CCCCC1 ZINC000438202860 395211604 /nfs/dbraw/zinc/21/16/04/395211604.db2.gz OPFHORKOIFUCGV-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP C[N@@H+](CC[NH2+]CC[C@H]1CCOC1)C1CCCCC1 ZINC000438202860 395211607 /nfs/dbraw/zinc/21/16/07/395211607.db2.gz OPFHORKOIFUCGV-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2)C[C@@H]1C[NH3+] ZINC000397289135 395221453 /nfs/dbraw/zinc/22/14/53/395221453.db2.gz WEJWTWTYJBXOIQ-KFWWJZLASA-N 2 1 289.423 2.320 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000434193315 395281247 /nfs/dbraw/zinc/28/12/47/395281247.db2.gz IOFUQMDOYPUXIE-GOEBONIOSA-N 2 1 268.445 2.323 20 0 CEADMP C[C@@H](CC1CCOCC1)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000434193315 395281251 /nfs/dbraw/zinc/28/12/51/395281251.db2.gz IOFUQMDOYPUXIE-GOEBONIOSA-N 2 1 268.445 2.323 20 0 CEADMP C[C@@H](CC1CCOCC1)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000434193315 395281255 /nfs/dbraw/zinc/28/12/55/395281255.db2.gz IOFUQMDOYPUXIE-GOEBONIOSA-N 2 1 268.445 2.323 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCO1 ZINC000353395478 395297231 /nfs/dbraw/zinc/29/72/31/395297231.db2.gz PTLQJWXXFKDFKC-IBEHDNSVSA-N 2 1 266.429 2.264 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)[C@@H]2CCC[C@H]21 ZINC000353445809 395298905 /nfs/dbraw/zinc/29/89/05/395298905.db2.gz IRZORUQIYWECHA-LUKYLMHMSA-N 2 1 286.419 2.453 20 0 CEADMP CCc1ccc([C@@H]2CNCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420324131 395327730 /nfs/dbraw/zinc/32/77/30/395327730.db2.gz ZGDLXSLHRWIDDG-AEFFLSMTSA-N 2 1 287.451 2.195 20 0 CEADMP CCc1ccc([C@@H]2C[NH2+]CCN2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420324131 395327732 /nfs/dbraw/zinc/32/77/32/395327732.db2.gz ZGDLXSLHRWIDDG-AEFFLSMTSA-N 2 1 287.451 2.195 20 0 CEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](CCO)c1ccccc1 ZINC000420298191 395304413 /nfs/dbraw/zinc/30/44/13/395304413.db2.gz GZFWXJVDZLLNRS-HOCLYGCPSA-N 2 1 262.397 2.042 20 0 CEADMP C[C@@H]([NH3+])C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000420297462 395304654 /nfs/dbraw/zinc/30/46/54/395304654.db2.gz FTSURKUJWXJCCK-GFCCVEGCSA-N 2 1 250.361 2.427 20 0 CEADMP C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000420305910 395311063 /nfs/dbraw/zinc/31/10/63/395311063.db2.gz QDETYEMQXMAJDO-WMLDXEAASA-N 2 1 291.414 2.114 20 0 CEADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000420305908 395311148 /nfs/dbraw/zinc/31/11/48/395311148.db2.gz QDETYEMQXMAJDO-PBHICJAKSA-N 2 1 291.414 2.114 20 0 CEADMP COC(=O)c1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c(C)s1 ZINC000420306896 395311433 /nfs/dbraw/zinc/31/14/33/395311433.db2.gz HYKVQSONCAVZDH-ZDUSSCGKSA-N 2 1 296.436 2.417 20 0 CEADMP COC(=O)c1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c(C)s1 ZINC000420306896 395311437 /nfs/dbraw/zinc/31/14/37/395311437.db2.gz HYKVQSONCAVZDH-ZDUSSCGKSA-N 2 1 296.436 2.417 20 0 CEADMP OCCC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000420309024 395312823 /nfs/dbraw/zinc/31/28/23/395312823.db2.gz STOYZUIGAJFCKU-QAPCUYQASA-N 2 1 288.435 2.358 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)CO1 ZINC000420308097 395313277 /nfs/dbraw/zinc/31/32/77/395313277.db2.gz RZJRCTHOXDRAGJ-VYDXJSESSA-N 2 1 274.408 2.448 20 0 CEADMP c1ccc([C@H]2COCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420314057 395318062 /nfs/dbraw/zinc/31/80/62/395318062.db2.gz YNNSGJAKBIBPEG-GOEBONIOSA-N 2 1 260.381 2.060 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1Cc2ccccc2C1 ZINC000420316127 395319887 /nfs/dbraw/zinc/31/98/87/395319887.db2.gz MMLJCNDZUQLQDJ-AWEZNQCLSA-N 2 1 258.409 2.475 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000419292572 395255862 /nfs/dbraw/zinc/25/58/62/395255862.db2.gz TVXCRQGEXDYDIN-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000419292572 395255866 /nfs/dbraw/zinc/25/58/66/395255866.db2.gz TVXCRQGEXDYDIN-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000419292572 395255873 /nfs/dbraw/zinc/25/58/73/395255873.db2.gz TVXCRQGEXDYDIN-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CO1 ZINC000401806301 395262514 /nfs/dbraw/zinc/26/25/14/395262514.db2.gz AHLZNAMYERYZGI-HOCLYGCPSA-N 2 1 262.397 2.276 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)s1 ZINC000420320155 395324249 /nfs/dbraw/zinc/32/42/49/395324249.db2.gz YKGGJABOEYKJEA-NSHDSACASA-N 2 1 282.409 2.096 20 0 CEADMP Cc1ccc(CCC[NH2+]C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000525986390 395274022 /nfs/dbraw/zinc/27/40/22/395274022.db2.gz BCMBDXUCNWEEFD-MRXNPFEDSA-N 2 1 261.413 2.254 20 0 CEADMP COC(=O)CC1(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000440787137 395355063 /nfs/dbraw/zinc/35/50/63/395355063.db2.gz VGVRGMVMOXCFSL-HNNXBMFYSA-N 2 1 294.439 2.280 20 0 CEADMP COC(=O)CC1(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000440787137 395355068 /nfs/dbraw/zinc/35/50/68/395355068.db2.gz VGVRGMVMOXCFSL-HNNXBMFYSA-N 2 1 294.439 2.280 20 0 CEADMP COc1c(C)c[nH+]c(CN(C2CC2)[C@H]2CC[NH2+]C2)c1C ZINC000435236922 395357607 /nfs/dbraw/zinc/35/76/07/395357607.db2.gz LCDUIPJZFOFNNT-AWEZNQCLSA-N 2 1 275.396 2.033 20 0 CEADMP C[C@@H](C[NH2+]Cc1cc(C(F)(F)F)n[nH]1)C[NH+]1CCCC1 ZINC000440807901 395359592 /nfs/dbraw/zinc/35/95/92/395359592.db2.gz IYVPDPDENUXANO-JTQLQIEISA-N 2 1 290.333 2.250 20 0 CEADMP C[C@@](O)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccsc1 ZINC000298475608 395359751 /nfs/dbraw/zinc/35/97/51/395359751.db2.gz PDGGSJWRVZYDFP-OAHLLOKOSA-N 2 1 280.437 2.172 20 0 CEADMP CC(C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC1CCC1 ZINC000420375003 395360106 /nfs/dbraw/zinc/36/01/06/395360106.db2.gz ONWJPJMTUZLLBY-ROUUACIJSA-N 2 1 290.451 2.428 20 0 CEADMP CC(C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC1CCC1 ZINC000420375003 395360110 /nfs/dbraw/zinc/36/01/10/395360110.db2.gz ONWJPJMTUZLLBY-ROUUACIJSA-N 2 1 290.451 2.428 20 0 CEADMP CC(C)(C)CCC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420377835 395364495 /nfs/dbraw/zinc/36/44/95/395364495.db2.gz LJSWBHSGLLCMKJ-AWEZNQCLSA-N 2 1 279.432 2.200 20 0 CEADMP C[N@H+](CCc1nccs1)CCC1CC[NH2+]CC1 ZINC000420380915 395365796 /nfs/dbraw/zinc/36/57/96/395365796.db2.gz XAJDVUIQRUSBPW-UHFFFAOYSA-N 2 1 253.415 2.007 20 0 CEADMP CC[C@H]1CC[C@@H](C)[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420379815 395366327 /nfs/dbraw/zinc/36/63/27/395366327.db2.gz VSIUUKDZKHREIV-IWCQGFGOSA-N 2 1 276.424 2.180 20 0 CEADMP CC(C)COCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420393111 395367743 /nfs/dbraw/zinc/36/77/43/395367743.db2.gz JNJUXKRSQTWTRG-CABCVRRESA-N 2 1 254.418 2.123 20 0 CEADMP FC(F)(F)CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420406966 395372610 /nfs/dbraw/zinc/37/26/10/395372610.db2.gz UZHWYCVAIHUHMI-MNOVXSKESA-N 2 1 250.308 2.403 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000420413827 395374512 /nfs/dbraw/zinc/37/45/12/395374512.db2.gz TWNICDAZYUHJSV-SWLSCSKDSA-N 2 1 275.396 2.062 20 0 CEADMP CC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000435627546 395380576 /nfs/dbraw/zinc/38/05/76/395380576.db2.gz NZLXCGAVKPOVER-OWCLPIDISA-N 2 1 295.471 2.145 20 0 CEADMP CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)[C@H]1CCC[NH2+]CC1 ZINC000435627546 395380580 /nfs/dbraw/zinc/38/05/80/395380580.db2.gz NZLXCGAVKPOVER-OWCLPIDISA-N 2 1 295.471 2.145 20 0 CEADMP C[NH2+]CCCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000435882745 395394167 /nfs/dbraw/zinc/39/41/67/395394167.db2.gz VGPZSIIVQJNRJH-UHFFFAOYSA-N 2 1 267.461 2.184 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420327044 395329160 /nfs/dbraw/zinc/32/91/60/395329160.db2.gz YHAFHOJDPLPRGU-ZWKOTPCHSA-N 3 1 293.499 2.430 20 0 CEADMP c1ccc([C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420326748 395329289 /nfs/dbraw/zinc/32/92/89/395329289.db2.gz XOBAACPCMGQUHE-DOTOQJQBSA-N 2 1 274.408 2.450 20 0 CEADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420326822 395329405 /nfs/dbraw/zinc/32/94/05/395329405.db2.gz XSIPSSQJITWUJG-IAGOWNOFSA-N 3 1 279.472 2.184 20 0 CEADMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420327826 395329783 /nfs/dbraw/zinc/32/97/83/395329783.db2.gz YXSCMUFQJYUVAK-CWRNSKLLSA-N 2 1 292.423 2.237 20 0 CEADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420327826 395329789 /nfs/dbraw/zinc/32/97/89/395329789.db2.gz YXSCMUFQJYUVAK-CWRNSKLLSA-N 2 1 292.423 2.237 20 0 CEADMP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000420341834 395335857 /nfs/dbraw/zinc/33/58/57/395335857.db2.gz QJFSHDWZHXBYED-IUODEOHRSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000420341834 395335862 /nfs/dbraw/zinc/33/58/62/395335862.db2.gz QJFSHDWZHXBYED-IUODEOHRSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000420350538 395339923 /nfs/dbraw/zinc/33/99/23/395339923.db2.gz TVNRKFDDIBPVFF-IXDOHACOSA-N 2 1 279.472 2.182 20 0 CEADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420358832 395346779 /nfs/dbraw/zinc/34/67/79/395346779.db2.gz VAAXRAJHZWACQJ-PSASIEDQSA-N 2 1 277.195 2.306 20 0 CEADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420358832 395346782 /nfs/dbraw/zinc/34/67/82/395346782.db2.gz VAAXRAJHZWACQJ-PSASIEDQSA-N 2 1 277.195 2.306 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC000354875561 395347366 /nfs/dbraw/zinc/34/73/66/395347366.db2.gz CIOQGPRQEQMVJS-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2CCOCC[NH3+])c1 ZINC000420361262 395347757 /nfs/dbraw/zinc/34/77/57/395347757.db2.gz MYKNDUMHXZBKSP-MRXNPFEDSA-N 2 1 262.397 2.416 20 0 CEADMP C[C@H]1CCCC[C@@H]1[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420363853 395350322 /nfs/dbraw/zinc/35/03/22/395350322.db2.gz PUTHFWMJHPAEPH-DKIMLUQUSA-N 2 1 290.451 2.428 20 0 CEADMP C[C@H]1CCCC[C@@H]1[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420363853 395350323 /nfs/dbraw/zinc/35/03/23/395350323.db2.gz PUTHFWMJHPAEPH-DKIMLUQUSA-N 2 1 290.451 2.428 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443978518 395408113 /nfs/dbraw/zinc/40/81/13/395408113.db2.gz LQJBIBNXUAGRPP-UHFFFAOYSA-N 2 1 290.314 2.457 20 0 CEADMP CCC[NH+](CC(O)C[N@H+](CCC)C1CC1)C1CC1 ZINC000194476766 395437838 /nfs/dbraw/zinc/43/78/38/395437838.db2.gz GSZZUXPDITVVRI-UHFFFAOYSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@@H](Cc1[nH]cc[nH+]1)OC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000566184276 395504794 /nfs/dbraw/zinc/50/47/94/395504794.db2.gz KAQNLKTVLBEQQC-AVGNSLFASA-N 2 1 251.374 2.122 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1[NH+](C)CCCC1(C)C ZINC000448023584 395507829 /nfs/dbraw/zinc/50/78/29/395507829.db2.gz UGZUQPQWQGYICM-LVQVYYBASA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448023584 395507832 /nfs/dbraw/zinc/50/78/32/395507832.db2.gz UGZUQPQWQGYICM-LVQVYYBASA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448023584 395507836 /nfs/dbraw/zinc/50/78/36/395507836.db2.gz UGZUQPQWQGYICM-LVQVYYBASA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000448023584 395507839 /nfs/dbraw/zinc/50/78/39/395507839.db2.gz UGZUQPQWQGYICM-LVQVYYBASA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000448023584 395507841 /nfs/dbraw/zinc/50/78/41/395507841.db2.gz UGZUQPQWQGYICM-LVQVYYBASA-N 2 1 281.488 2.425 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000566352087 395514817 /nfs/dbraw/zinc/51/48/17/395514817.db2.gz VJDXJZYROXUOAW-CYBMUJFWSA-N 2 1 290.329 2.108 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000566352087 395514820 /nfs/dbraw/zinc/51/48/20/395514820.db2.gz VJDXJZYROXUOAW-CYBMUJFWSA-N 2 1 290.329 2.108 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccn1 ZINC000566474667 395528962 /nfs/dbraw/zinc/52/89/62/395528962.db2.gz HFVKFQOMVCGWGS-JZIBPQBNSA-N 2 1 275.396 2.366 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccn1 ZINC000566474667 395528965 /nfs/dbraw/zinc/52/89/65/395528965.db2.gz HFVKFQOMVCGWGS-JZIBPQBNSA-N 2 1 275.396 2.366 20 0 CEADMP C[C@H]([NH2+]CCc1ccc(F)cc1F)[C@@H]1CCC[NH2+]1 ZINC000565533930 395475178 /nfs/dbraw/zinc/47/51/78/395475178.db2.gz PUDFYXUQIOBBNW-HZMBPMFUSA-N 2 1 254.324 2.237 20 0 CEADMP C[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000565593007 395477025 /nfs/dbraw/zinc/47/70/25/395477025.db2.gz BNTKYORTSGKVGO-CABCVRRESA-N 2 1 276.424 2.389 20 0 CEADMP O[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000565870948 395488217 /nfs/dbraw/zinc/48/82/17/395488217.db2.gz RHHDNMKWVQPSHB-HRCADAONSA-N 2 1 289.423 2.367 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000565950822 395492649 /nfs/dbraw/zinc/49/26/49/395492649.db2.gz LADUIJVYAMHBIV-ZJUUUORDSA-N 2 1 251.399 2.190 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc(C2CC2)s1 ZINC000565950822 395492652 /nfs/dbraw/zinc/49/26/52/395492652.db2.gz LADUIJVYAMHBIV-ZJUUUORDSA-N 2 1 251.399 2.190 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC(CC)(CC)C2)CC1 ZINC000446712605 395496389 /nfs/dbraw/zinc/49/63/89/395496389.db2.gz SNMCAFLTXYLCPN-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC(CC)(CC)C2)CC1 ZINC000446712605 395496391 /nfs/dbraw/zinc/49/63/91/395496391.db2.gz SNMCAFLTXYLCPN-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP COC[C@]1(C)CC[NH+](CCC[N@@H+]2CC[C@@](C)(COC)C2)C1 ZINC000451203449 395593928 /nfs/dbraw/zinc/59/39/28/395593928.db2.gz QFFKEVISEXCCBB-IAGOWNOFSA-N 2 1 298.471 2.093 20 0 CEADMP O[C@@H]([C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1)C(F)(F)F ZINC000451891229 395625931 /nfs/dbraw/zinc/62/59/31/395625931.db2.gz OBHPKAPSEFDJGO-STQMWFEESA-N 2 1 294.361 2.108 20 0 CEADMP O[C@@H]([C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1)C(F)(F)F ZINC000451891229 395625933 /nfs/dbraw/zinc/62/59/33/395625933.db2.gz OBHPKAPSEFDJGO-STQMWFEESA-N 2 1 294.361 2.108 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C(C)C)C1CCCCC1 ZINC000574096696 395626458 /nfs/dbraw/zinc/62/64/58/395626458.db2.gz FQUXMLCVGBTIBA-OAHLLOKOSA-N 2 1 256.434 2.342 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C(C)C)C1CCCCC1 ZINC000574096696 395626459 /nfs/dbraw/zinc/62/64/59/395626459.db2.gz FQUXMLCVGBTIBA-OAHLLOKOSA-N 2 1 256.434 2.342 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C(C)C)C1CCCCC1 ZINC000574096696 395626460 /nfs/dbraw/zinc/62/64/60/395626460.db2.gz FQUXMLCVGBTIBA-OAHLLOKOSA-N 2 1 256.434 2.342 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C(C)C)C1CCCCC1 ZINC000574096696 395626461 /nfs/dbraw/zinc/62/64/61/395626461.db2.gz FQUXMLCVGBTIBA-OAHLLOKOSA-N 2 1 256.434 2.342 20 0 CEADMP OCC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000574322654 395628090 /nfs/dbraw/zinc/62/80/90/395628090.db2.gz XRQJSVNJVNLMBW-MRXNPFEDSA-N 2 1 286.419 2.298 20 0 CEADMP OCC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000574322654 395628092 /nfs/dbraw/zinc/62/80/92/395628092.db2.gz XRQJSVNJVNLMBW-MRXNPFEDSA-N 2 1 286.419 2.298 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)oc1C ZINC000574694012 395635340 /nfs/dbraw/zinc/63/53/40/395635340.db2.gz GTVRCVYMMNRJSK-CABCVRRESA-N 2 1 293.411 2.010 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cn2ccccc2n1 ZINC000574770801 395637342 /nfs/dbraw/zinc/63/73/42/395637342.db2.gz MJBWPARKXPEOFU-IHRRRGAJSA-N 2 1 272.396 2.468 20 0 CEADMP Cc1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)ccc1C[NH+](C)C ZINC000458272612 395640827 /nfs/dbraw/zinc/64/08/27/395640827.db2.gz WJOARRIZAGHKIA-XJKSGUPXSA-N 2 1 289.423 2.193 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccn(C3CCCC3)n2)C1 ZINC000575002336 395644075 /nfs/dbraw/zinc/64/40/75/395644075.db2.gz GGBHHLMIGZKKNR-CHWSQXEVSA-N 2 1 262.401 2.358 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC[N@@H+]1C ZINC000493917185 395677924 /nfs/dbraw/zinc/67/79/24/395677924.db2.gz PNGSZUSZRGFESI-YIDVYQOGSA-N 2 1 278.440 2.406 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC[N@H+]1C ZINC000493917185 395677925 /nfs/dbraw/zinc/67/79/25/395677925.db2.gz PNGSZUSZRGFESI-YIDVYQOGSA-N 2 1 278.440 2.406 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC000494031583 395678678 /nfs/dbraw/zinc/67/86/78/395678678.db2.gz FBQKFGPGFVTVKK-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC000494031583 395678679 /nfs/dbraw/zinc/67/86/79/395678679.db2.gz FBQKFGPGFVTVKK-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC000494031583 395678680 /nfs/dbraw/zinc/67/86/80/395678680.db2.gz FBQKFGPGFVTVKK-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC000494031583 395678681 /nfs/dbraw/zinc/67/86/81/395678681.db2.gz FBQKFGPGFVTVKK-KGLIPLIRSA-N 2 1 299.459 2.316 20 0 CEADMP CCOC1CC([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647344576 395707314 /nfs/dbraw/zinc/70/73/14/395707314.db2.gz UOGJBRAZWZBHEL-CPFNUKBASA-N 2 1 288.435 2.489 20 0 CEADMP COc1ccc(C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1OC ZINC000647513330 395724344 /nfs/dbraw/zinc/72/43/44/395724344.db2.gz SWHTZDMOFJSFPM-INIZCTEOSA-N 2 1 278.396 2.135 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1OC ZINC000647513330 395724346 /nfs/dbraw/zinc/72/43/46/395724346.db2.gz SWHTZDMOFJSFPM-INIZCTEOSA-N 2 1 278.396 2.135 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000647509946 395724352 /nfs/dbraw/zinc/72/43/52/395724352.db2.gz GZEBLNVWDRGUDP-QWHCGFSZSA-N 2 1 288.395 2.158 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647498825 395722261 /nfs/dbraw/zinc/72/22/61/395722261.db2.gz RONLTMCZBJMJSK-JSGCOSHPSA-N 2 1 278.444 2.104 20 0 CEADMP CCOc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)nc1 ZINC000647506090 395723207 /nfs/dbraw/zinc/72/32/07/395723207.db2.gz FMPBIVFCAFDSQI-HNNXBMFYSA-N 2 1 265.401 2.286 20 0 CEADMP CCOc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)nc1 ZINC000647506090 395723208 /nfs/dbraw/zinc/72/32/08/395723208.db2.gz FMPBIVFCAFDSQI-HNNXBMFYSA-N 2 1 265.401 2.286 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000647517281 395725198 /nfs/dbraw/zinc/72/51/98/395725198.db2.gz BXIPRYFOCDUBEO-QZTJIDSGSA-N 2 1 287.451 2.192 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000647517283 395725238 /nfs/dbraw/zinc/72/52/38/395725238.db2.gz BXIPRYFOCDUBEO-ZWKOTPCHSA-N 2 1 287.451 2.192 20 0 CEADMP CCCn1nc(C)c(C[NH+]2CCC(C)([NH3+])CC2)c1C ZINC000647531478 395727730 /nfs/dbraw/zinc/72/77/30/395727730.db2.gz ZIKDCMNJESLXDO-UHFFFAOYSA-N 2 1 264.417 2.223 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000647536698 395729306 /nfs/dbraw/zinc/72/93/06/395729306.db2.gz XNUNBLVOTJFTBC-INIZCTEOSA-N 2 1 255.365 2.406 20 0 CEADMP c1cc2cc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)ccc2cn1 ZINC000647538879 395729955 /nfs/dbraw/zinc/72/99/55/395729955.db2.gz MFCTYBCORJPSNM-QGZVFWFLSA-N 2 1 267.376 2.420 20 0 CEADMP COCC(C)(C)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543036 395730690 /nfs/dbraw/zinc/73/06/90/395730690.db2.gz GWLAIJSJNAMHSM-LSDHHAIUSA-N 2 1 268.445 2.371 20 0 CEADMP c1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543354 395731164 /nfs/dbraw/zinc/73/11/64/395731164.db2.gz LQRWPBIPBLSCHE-OLZOCXBDSA-N 2 1 265.426 2.355 20 0 CEADMP C([C@@H]1CCSC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543464 395731668 /nfs/dbraw/zinc/73/16/68/395731668.db2.gz OBRNRNXMNSXZRD-ZNMIVQPWSA-N 2 1 268.470 2.451 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000647552372 395734283 /nfs/dbraw/zinc/73/42/83/395734283.db2.gz YAOYOYKCBHDHAA-UHFFFAOYSA-N 2 1 276.384 2.030 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000647552372 395734284 /nfs/dbraw/zinc/73/42/84/395734284.db2.gz YAOYOYKCBHDHAA-UHFFFAOYSA-N 2 1 276.384 2.030 20 0 CEADMP CC[NH2+]CC1CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)CC1 ZINC000647705665 395746924 /nfs/dbraw/zinc/74/69/24/395746924.db2.gz HBCVDMWPUJBSRS-UHFFFAOYSA-N 2 1 287.411 2.401 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647786398 395754533 /nfs/dbraw/zinc/75/45/33/395754533.db2.gz OIXOGQOJPNBTLV-LTIDMASMSA-N 3 1 279.472 2.085 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647790362 395755104 /nfs/dbraw/zinc/75/51/04/395755104.db2.gz WVKLJQUITSOUPO-VSZNYVQBSA-N 3 1 293.499 2.476 20 0 CEADMP c1n[nH]c2cc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)ccc12 ZINC000647796494 395756492 /nfs/dbraw/zinc/75/64/92/395756492.db2.gz AZTNIYXSSOCYAR-NUEKZKHPSA-N 2 1 284.407 2.083 20 0 CEADMP COc1ccc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814370 395759236 /nfs/dbraw/zinc/75/92/36/395759236.db2.gz LBTSGTVTFYXKFS-UHFFFAOYSA-N 2 1 290.407 2.290 20 0 CEADMP Cc1cccc(C)c1OCCC[N@@H+](C)CCC[NH3+] ZINC000647848630 395763487 /nfs/dbraw/zinc/76/34/87/395763487.db2.gz ZZAQMZUGHPUVOE-UHFFFAOYSA-N 2 1 250.386 2.353 20 0 CEADMP CC1(C)C[N@H+](CCNc2[nH+]ccc3[nH]ccc32)CCO1 ZINC000647864928 395765396 /nfs/dbraw/zinc/76/53/96/395765396.db2.gz QMKYMNTUHWNSIK-UHFFFAOYSA-N 2 1 274.368 2.086 20 0 CEADMP CC1(C)C[N@@H+](CCNc2[nH+]ccc3[nH]ccc32)CCO1 ZINC000647864928 395765398 /nfs/dbraw/zinc/76/53/98/395765398.db2.gz QMKYMNTUHWNSIK-UHFFFAOYSA-N 2 1 274.368 2.086 20 0 CEADMP COCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000647879520 395767894 /nfs/dbraw/zinc/76/78/94/395767894.db2.gz HURJLVBLQVWSJI-CABCVRRESA-N 2 1 262.397 2.306 20 0 CEADMP COc1cccc(C[C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647881154 395768366 /nfs/dbraw/zinc/76/83/66/395768366.db2.gz HZCQOXGIKDUWEP-JKSUJKDBSA-N 2 1 274.408 2.312 20 0 CEADMP c1ccc([C@H]2C[N@H+](C[C@H]3CC[NH2+]C3)CCS2)cc1 ZINC000647885814 395769311 /nfs/dbraw/zinc/76/93/11/395769311.db2.gz SQEGCQPUDMPHPN-DZGCQCFKSA-N 2 1 262.422 2.386 20 0 CEADMP c1ccc([C@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)CCS2)cc1 ZINC000647885814 395769313 /nfs/dbraw/zinc/76/93/13/395769313.db2.gz SQEGCQPUDMPHPN-DZGCQCFKSA-N 2 1 262.422 2.386 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000647891460 395770162 /nfs/dbraw/zinc/77/01/62/395770162.db2.gz HQSDYFMLZXFXMO-CVEARBPZSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902999 395770664 /nfs/dbraw/zinc/77/06/64/395770664.db2.gz DTBRRDBKZRWWGC-HZPDHXFCSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902999 395770666 /nfs/dbraw/zinc/77/06/66/395770666.db2.gz DTBRRDBKZRWWGC-HZPDHXFCSA-N 3 1 276.428 2.046 20 0 CEADMP COCCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904164 395770684 /nfs/dbraw/zinc/77/06/84/395770684.db2.gz XXZFTTCELSHKDY-GJZGRUSLSA-N 2 1 254.418 2.267 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902998 395770793 /nfs/dbraw/zinc/77/07/93/395770793.db2.gz DTBRRDBKZRWWGC-HOTGVXAUSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902998 395770795 /nfs/dbraw/zinc/77/07/95/395770795.db2.gz DTBRRDBKZRWWGC-HOTGVXAUSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)no1 ZINC000647975462 395793687 /nfs/dbraw/zinc/79/36/87/395793687.db2.gz ARJZXYVRHSHCNS-KBPBESRZSA-N 2 1 263.385 2.195 20 0 CEADMP CCCCNC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978346 395794460 /nfs/dbraw/zinc/79/44/60/395794460.db2.gz QFNJRYITEWCAPD-CVEARBPZSA-N 2 1 295.471 2.004 20 0 CEADMP Cc1noc(CCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977835 395794510 /nfs/dbraw/zinc/79/45/10/395794510.db2.gz IMMXJJJAMYTPLL-LSDHHAIUSA-N 2 1 292.427 2.022 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)[C@@H]1CCCO1 ZINC000647978229 395794532 /nfs/dbraw/zinc/79/45/32/395794532.db2.gz OUFSMDOXVKLHHW-OAGGEKHMSA-N 2 1 266.429 2.267 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000648886584 396010095 /nfs/dbraw/zinc/01/00/95/396010095.db2.gz SXSNOINBGVWRTG-ZIAGYGMSSA-N 2 1 294.443 2.243 20 0 CEADMP CC[C@@](C)([NH2+]C[C@H]1CC[NH2+]C1)c1nc(C)cs1 ZINC000649414713 396148011 /nfs/dbraw/zinc/14/80/11/396148011.db2.gz SIRWACRLEIQDBG-WCQYABFASA-N 2 1 253.415 2.276 20 0 CEADMP CO[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000649766382 396254291 /nfs/dbraw/zinc/25/42/91/396254291.db2.gz LTOLYGAOJOOFCF-RBSFLKMASA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]C2CCC(F)(F)CC2)CC1(C)C ZINC000647208919 396440576 /nfs/dbraw/zinc/44/05/76/396440576.db2.gz LNTVSRVUMBNBHW-UHFFFAOYSA-N 2 1 289.414 2.180 20 0 CEADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC[C@@H]1CCC[NH+]1C ZINC000336803370 297091423 /nfs/dbraw/zinc/09/14/23/297091423.db2.gz YENGEGDTGIGSHO-PMPSAXMXSA-N 2 1 265.445 2.029 20 0 CEADMP C[C@@H]1C[NH+]2CCCC[C@H]2CN1CC[C@@H]1CCC[N@@H+]1C ZINC000336803370 297091425 /nfs/dbraw/zinc/09/14/25/297091425.db2.gz YENGEGDTGIGSHO-PMPSAXMXSA-N 2 1 265.445 2.029 20 0 CEADMP C[C@@H]1C[NH+]2CCCC[C@H]2CN1CC[C@@H]1CCC[N@H+]1C ZINC000336803370 297091428 /nfs/dbraw/zinc/09/14/28/297091428.db2.gz YENGEGDTGIGSHO-PMPSAXMXSA-N 2 1 265.445 2.029 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339427443 400364414 /nfs/dbraw/zinc/36/44/14/400364414.db2.gz UXGQJLYCBXDIIP-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)CC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339427443 400364417 /nfs/dbraw/zinc/36/44/17/400364417.db2.gz UXGQJLYCBXDIIP-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)CC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339427443 400364420 /nfs/dbraw/zinc/36/44/20/400364420.db2.gz UXGQJLYCBXDIIP-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP CC[N@@H+](CCN[C@@H]1CC[NH+](CC)C[C@H]1C)C(C)C ZINC000156588237 289198709 /nfs/dbraw/zinc/19/87/09/289198709.db2.gz PTVXJEFMMAQIDV-HUUCEWRRSA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+](CCN[C@@H]1CC[N@H+](CC)C[C@H]1C)C(C)C ZINC000156588237 289198710 /nfs/dbraw/zinc/19/87/10/289198710.db2.gz PTVXJEFMMAQIDV-HUUCEWRRSA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+](CCN[C@@H]1CC[N@@H+](CC)C[C@H]1C)C(C)C ZINC000156588237 289198712 /nfs/dbraw/zinc/19/87/12/289198712.db2.gz PTVXJEFMMAQIDV-HUUCEWRRSA-N 2 1 255.450 2.037 20 0 CEADMP CCN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000650709895 401000014 /nfs/dbraw/zinc/00/00/14/401000014.db2.gz WGMMXFHZZDVRTF-RDJZCZTQSA-N 2 1 288.439 2.099 20 0 CEADMP [NH3+]CC1(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000650713573 401003290 /nfs/dbraw/zinc/00/32/90/401003290.db2.gz WUMFGBSGOOGRQB-UHFFFAOYSA-N 3 1 287.451 2.370 20 0 CEADMP Cc1noc(C)c1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718465 401007526 /nfs/dbraw/zinc/00/75/26/401007526.db2.gz NVLGPOPSNZCDBW-UHFFFAOYSA-N 2 1 263.316 2.179 20 0 CEADMP CCOc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)n1 ZINC000650717722 401008590 /nfs/dbraw/zinc/00/85/90/401008590.db2.gz KITQCTKZCCEDQO-UHFFFAOYSA-N 2 1 289.354 2.368 20 0 CEADMP CC[C@H](C)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650722965 401012255 /nfs/dbraw/zinc/01/22/55/401012255.db2.gz FMDNQASQDNWQNP-YJNKXOJESA-N 2 1 254.418 2.393 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCCC[N@H+](C)CC(C)C ZINC000650740781 401016906 /nfs/dbraw/zinc/01/69/06/401016906.db2.gz QZMNBDVPAIVTGV-CQSZACIVSA-N 2 1 292.471 2.477 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000650740781 401016914 /nfs/dbraw/zinc/01/69/14/401016914.db2.gz QZMNBDVPAIVTGV-CQSZACIVSA-N 3 1 292.471 2.477 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000650740781 401016917 /nfs/dbraw/zinc/01/69/17/401016917.db2.gz QZMNBDVPAIVTGV-CQSZACIVSA-N 3 1 292.471 2.477 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000650581200 400957625 /nfs/dbraw/zinc/95/76/25/400957625.db2.gz IHXCUWUSDNPRNM-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]([NH2+][C@H]1CNc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000650747545 401023861 /nfs/dbraw/zinc/02/38/61/401023861.db2.gz BYIYCWWOASVTFM-YCPHGPKFSA-N 2 1 259.397 2.143 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CNc3ccccc3C2)CC[N@@H+]1C ZINC000650751194 401028126 /nfs/dbraw/zinc/02/81/26/401028126.db2.gz QDSCNZHVQKDADL-BPLDGKMQSA-N 2 1 259.397 2.096 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CNc3ccccc3C2)CC[N@H+]1C ZINC000650751194 401028131 /nfs/dbraw/zinc/02/81/31/401028131.db2.gz QDSCNZHVQKDADL-BPLDGKMQSA-N 2 1 259.397 2.096 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650759055 401036307 /nfs/dbraw/zinc/03/63/07/401036307.db2.gz CBSSXNWECSHKQV-FRFSOERESA-N 2 1 273.424 2.391 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC000359950806 155178093 /nfs/dbraw/zinc/17/80/93/155178093.db2.gz UOHXMCBRTQDWAC-LSDHHAIUSA-N 2 1 283.460 2.144 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]CC2(OC)CCCC2)C1 ZINC000359977655 155183539 /nfs/dbraw/zinc/18/35/39/155183539.db2.gz TYGLEXIEMCRYSQ-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CC[NH+](C)CC1 ZINC000651492004 401349459 /nfs/dbraw/zinc/34/94/59/401349459.db2.gz LUNGOOYXDZDQCK-CQSZACIVSA-N 3 1 267.461 2.181 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](COC)CC(C)(C)C)C1 ZINC000651681736 401371036 /nfs/dbraw/zinc/37/10/36/401371036.db2.gz ZPUVYQQYAHYRMZ-ZIAGYGMSSA-N 2 1 256.434 2.369 20 0 CEADMP CC[C@@]1(C)CCC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000651686039 401372006 /nfs/dbraw/zinc/37/20/06/401372006.db2.gz NPRSOLMUUWBNBF-HOTGVXAUSA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000652222615 401467005 /nfs/dbraw/zinc/46/70/05/401467005.db2.gz SVYHKKMGYROPGO-OAHLLOKOSA-N 2 1 278.444 2.365 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000652222615 401467008 /nfs/dbraw/zinc/46/70/08/401467008.db2.gz SVYHKKMGYROPGO-OAHLLOKOSA-N 2 1 278.444 2.365 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)OC)[C@@H](C)C1 ZINC000358199556 286061850 /nfs/dbraw/zinc/06/18/50/286061850.db2.gz HXZFSHWUXLXCGR-GJZGRUSLSA-N 2 1 286.460 2.138 20 0 CEADMP CC(C)(C)C[N@@H+](CCO)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652337640 401489931 /nfs/dbraw/zinc/48/99/31/401489931.db2.gz BYHCYMIKICNESF-UHFFFAOYSA-N 2 1 276.424 2.173 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347815 401490445 /nfs/dbraw/zinc/49/04/45/401490445.db2.gz MTHGLSDDVSLHQT-YESZJQIVSA-N 2 1 298.471 2.267 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000652345934 401490811 /nfs/dbraw/zinc/49/08/11/401490811.db2.gz PNZQDJYDHBQIBQ-KZNAEPCWSA-N 2 1 288.435 2.447 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347812 401490841 /nfs/dbraw/zinc/49/08/41/401490841.db2.gz MTHGLSDDVSLHQT-BBWFWOEESA-N 2 1 298.471 2.267 20 0 CEADMP C[NH2+]C[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000652341363 401490858 /nfs/dbraw/zinc/49/08/58/401490858.db2.gz JDVVCMMONXDARV-BBRMVZONSA-N 2 1 264.413 2.431 20 0 CEADMP COCCCCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348652 401491691 /nfs/dbraw/zinc/49/16/91/401491691.db2.gz MBOFXNVUMNWZEK-ARFHVFGLSA-N 2 1 284.444 2.021 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)[C@@H](C)CO1 ZINC000652353628 401492361 /nfs/dbraw/zinc/49/23/61/401492361.db2.gz WLUKQXMEJHUMCN-CWRNSKLLSA-N 2 1 292.423 2.237 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)[C@@H](C)CO1 ZINC000652353628 401492365 /nfs/dbraw/zinc/49/23/65/401492365.db2.gz WLUKQXMEJHUMCN-CWRNSKLLSA-N 2 1 292.423 2.237 20 0 CEADMP CCO[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1C[NH3+] ZINC000652356744 401493050 /nfs/dbraw/zinc/49/30/50/401493050.db2.gz DTKDZTXKTHMJLW-DAXOMENPSA-N 2 1 278.371 2.109 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCc2ccncc2)[C@@H]1CC[NH3+] ZINC000652356199 401493278 /nfs/dbraw/zinc/49/32/78/401493278.db2.gz WGVHMIBXMZEJOG-GOEBONIOSA-N 2 1 261.413 2.464 20 0 CEADMP CC(C)CCOCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652362825 401494482 /nfs/dbraw/zinc/49/44/82/401494482.db2.gz QZBBXDQKRDUXBH-GVDBMIGSSA-N 2 1 298.471 2.410 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC[C@@H]2CCCCO2)C1 ZINC000652363563 401495303 /nfs/dbraw/zinc/49/53/03/401495303.db2.gz HZLFQSAETFHJDO-TWMKSMIVSA-N 2 1 296.455 2.306 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000360239719 155249009 /nfs/dbraw/zinc/24/90/09/155249009.db2.gz RWWYZVVJNKYOBZ-ZFWWWQNUSA-N 2 1 254.418 2.264 20 0 CEADMP CCc1nc(NC[C@H]2CC[N@@H+](C3CC3)C2)cc(C)[nH+]1 ZINC000311632997 289279650 /nfs/dbraw/zinc/27/96/50/289279650.db2.gz VVOYZCWGLAHKAG-GFCCVEGCSA-N 2 1 260.385 2.244 20 0 CEADMP CCc1nc(NC[C@H]2CC[N@H+](C3CC3)C2)cc(C)[nH+]1 ZINC000311632997 289279653 /nfs/dbraw/zinc/27/96/53/289279653.db2.gz VVOYZCWGLAHKAG-GFCCVEGCSA-N 2 1 260.385 2.244 20 0 CEADMP C[N@@H+](CCCc1ccncc1)C[C@@H]1CCC[NH+](C)C1 ZINC000360438443 155298874 /nfs/dbraw/zinc/29/88/74/155298874.db2.gz RBTAIVICLVXYCF-INIZCTEOSA-N 2 1 261.413 2.288 20 0 CEADMP C[NH+](CCCc1ccncc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000360438443 155298875 /nfs/dbraw/zinc/29/88/75/155298875.db2.gz RBTAIVICLVXYCF-INIZCTEOSA-N 2 1 261.413 2.288 20 0 CEADMP C[NH+](CCCc1ccncc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000360438443 155298878 /nfs/dbraw/zinc/29/88/78/155298878.db2.gz RBTAIVICLVXYCF-INIZCTEOSA-N 2 1 261.413 2.288 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360571468 155330158 /nfs/dbraw/zinc/33/01/58/155330158.db2.gz VBDGJSNOVXSIAS-QGZVFWFLSA-N 2 1 274.408 2.449 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000360708075 155358184 /nfs/dbraw/zinc/35/81/84/155358184.db2.gz QILIPYNREGLQAC-ZFWWWQNUSA-N 2 1 292.423 2.319 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCCCF ZINC000367072948 289334106 /nfs/dbraw/zinc/33/41/06/289334106.db2.gz IDMNFLWMBORAPA-ILXRZTDVSA-N 2 1 272.408 2.310 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(CCC[NH+](CC)CC)C1 ZINC000191527502 153177627 /nfs/dbraw/zinc/17/76/27/153177627.db2.gz NZWPHUIMRYNQGW-INIZCTEOSA-N 2 1 269.477 2.382 20 0 CEADMP COc1ccccc1CCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193645525 153234552 /nfs/dbraw/zinc/23/45/52/153234552.db2.gz ZFNAIBMYEJJKDU-IYBDPMFKSA-N 2 1 274.408 2.121 20 0 CEADMP COc1ccccc1CCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193645525 153234558 /nfs/dbraw/zinc/23/45/58/153234558.db2.gz ZFNAIBMYEJJKDU-IYBDPMFKSA-N 2 1 274.408 2.121 20 0 CEADMP COc1ccccc1CCC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193645525 153234563 /nfs/dbraw/zinc/23/45/63/153234563.db2.gz ZFNAIBMYEJJKDU-IYBDPMFKSA-N 2 1 274.408 2.121 20 0 CEADMP Cc1c[nH+]ccc1NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000195337566 153288084 /nfs/dbraw/zinc/28/80/84/153288084.db2.gz DFQOEVKDOPBMOL-AWEZNQCLSA-N 2 1 263.385 2.159 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cs1 ZINC000221955490 153312629 /nfs/dbraw/zinc/31/26/29/153312629.db2.gz GPFGSFRNEFIFMM-COPLHBTASA-N 2 1 267.442 2.312 20 0 CEADMP COc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000221903292 153312764 /nfs/dbraw/zinc/31/27/64/153312764.db2.gz WJSAHVDTJUPDSC-UHFFFAOYSA-N 2 1 277.412 2.443 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000223562866 153317999 /nfs/dbraw/zinc/31/79/99/153317999.db2.gz FQJPFMBVTGVBAI-AWEZNQCLSA-N 2 1 254.349 2.337 20 0 CEADMP CN(C[C@@H](O)C[N@@H+](C)CCCCc1ccccc1)C1CC1 ZINC000290106389 154168403 /nfs/dbraw/zinc/16/84/03/154168403.db2.gz XGZXWAZNCZVGLA-SFHVURJKSA-N 2 1 290.451 2.396 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)CCCCc1ccccc1)C1CC1 ZINC000290106389 154168410 /nfs/dbraw/zinc/16/84/10/154168410.db2.gz XGZXWAZNCZVGLA-SFHVURJKSA-N 2 1 290.451 2.396 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)CCCCc1ccccc1)C1CC1 ZINC000290106389 154168415 /nfs/dbraw/zinc/16/84/15/154168415.db2.gz XGZXWAZNCZVGLA-SFHVURJKSA-N 2 1 290.451 2.396 20 0 CEADMP C[NH+](CCCCc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290106389 154168421 /nfs/dbraw/zinc/16/84/21/154168421.db2.gz XGZXWAZNCZVGLA-SFHVURJKSA-N 2 1 290.451 2.396 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292992755 154171708 /nfs/dbraw/zinc/17/17/08/154171708.db2.gz ODPQDBRWVQRHSJ-QGZVFWFLSA-N 2 1 289.423 2.316 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292992755 154171715 /nfs/dbraw/zinc/17/17/15/154171715.db2.gz ODPQDBRWVQRHSJ-QGZVFWFLSA-N 2 1 289.423 2.316 20 0 CEADMP Cn1cc(C[NH+]2CCC([NH3+])CC2)c(-c2cccs2)n1 ZINC000334616638 154225255 /nfs/dbraw/zinc/22/52/55/154225255.db2.gz UCQBBICRTCMPQB-UHFFFAOYSA-N 2 1 276.409 2.072 20 0 CEADMP COCCCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000347086347 154300338 /nfs/dbraw/zinc/30/03/38/154300338.db2.gz DUVDEFUQWXMRHI-PBHICJAKSA-N 2 1 292.423 2.271 20 0 CEADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000348998817 154309032 /nfs/dbraw/zinc/30/90/32/154309032.db2.gz KWWNTWVEPQJHBS-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000348998817 154309034 /nfs/dbraw/zinc/30/90/34/154309034.db2.gz KWWNTWVEPQJHBS-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000348998817 154309036 /nfs/dbraw/zinc/30/90/36/154309036.db2.gz KWWNTWVEPQJHBS-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000348998817 154309038 /nfs/dbraw/zinc/30/90/38/154309038.db2.gz KWWNTWVEPQJHBS-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCOCCc3ccccc3)C[C@@H]12 ZINC000351502017 154317050 /nfs/dbraw/zinc/31/70/50/154317050.db2.gz YSSZPFOEFKRTPO-KZNAEPCWSA-N 2 1 288.435 2.305 20 0 CEADMP CC[N@@H+](CCOCC[NH3+])[C@@H](C)c1cccc(OC)c1 ZINC000357072198 154370723 /nfs/dbraw/zinc/37/07/23/154370723.db2.gz DGYNUALGHHJMAL-ZDUSSCGKSA-N 2 1 266.385 2.053 20 0 CEADMP COc1ccc2oc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000357073644 154372897 /nfs/dbraw/zinc/37/28/97/154372897.db2.gz HZOIRTVOQPFWCJ-GXTWGEPZSA-N 2 1 286.375 2.483 20 0 CEADMP COc1ccc2oc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000357073644 154372901 /nfs/dbraw/zinc/37/29/01/154372901.db2.gz HZOIRTVOQPFWCJ-GXTWGEPZSA-N 2 1 286.375 2.483 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357863642 154392648 /nfs/dbraw/zinc/39/26/48/154392648.db2.gz ZOCIGVVQHYSUAD-GDBMZVCRSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357863642 154392653 /nfs/dbraw/zinc/39/26/53/154392653.db2.gz ZOCIGVVQHYSUAD-GDBMZVCRSA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CC3CCCC3)C2)CC1 ZINC000367109146 156134624 /nfs/dbraw/zinc/13/46/24/156134624.db2.gz HTCRJLILLIPLGG-KRWDZBQOSA-N 2 1 279.472 2.136 20 0 CEADMP Cc1cnn(C)c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000367207788 156151908 /nfs/dbraw/zinc/15/19/08/156151908.db2.gz ZFBFUCRZGAYDCK-UHFFFAOYSA-N 2 1 276.428 2.225 20 0 CEADMP C1=C(C[NH+]2CCC([NH2+]C3CCCC3)CC2)COCC1 ZINC000367418281 156182074 /nfs/dbraw/zinc/18/20/74/156182074.db2.gz GYZLJPKZFIYCAN-UHFFFAOYSA-N 2 1 264.413 2.330 20 0 CEADMP C[C@@H](F)CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000367544185 156203007 /nfs/dbraw/zinc/20/30/07/156203007.db2.gz JLSSDIQEYUBIAV-GFCCVEGCSA-N 2 1 253.365 2.423 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccccn2)[C@H]2CCC[C@@H]21 ZINC000367617990 156216668 /nfs/dbraw/zinc/21/66/68/156216668.db2.gz OCUNSARNMSIYFU-IKGGRYGDSA-N 2 1 273.424 2.477 20 0 CEADMP C[NH+]1CCN(C[C@H]2CCC[N@H+]([C@@H]3C=CCCC3)C2)CC1 ZINC000367623183 156217996 /nfs/dbraw/zinc/21/79/96/156217996.db2.gz MTZAWEYABYMQNO-IAGOWNOFSA-N 2 1 277.456 2.055 20 0 CEADMP Cc1ccc([C@H](O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000368313384 156320385 /nfs/dbraw/zinc/32/03/85/156320385.db2.gz CEOXXFUHTUNXBQ-IAGOWNOFSA-N 2 1 274.408 2.056 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000368313384 156320387 /nfs/dbraw/zinc/32/03/87/156320387.db2.gz CEOXXFUHTUNXBQ-IAGOWNOFSA-N 2 1 274.408 2.056 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000368313384 156320388 /nfs/dbraw/zinc/32/03/88/156320388.db2.gz CEOXXFUHTUNXBQ-IAGOWNOFSA-N 2 1 274.408 2.056 20 0 CEADMP CCCCOCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000368561705 156365490 /nfs/dbraw/zinc/36/54/90/156365490.db2.gz AYDOBZINQUEYGN-BRWVUGGUSA-N 2 1 298.471 2.282 20 0 CEADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000375084613 157049804 /nfs/dbraw/zinc/04/98/04/157049804.db2.gz NAHWMXJVOQQZJO-AWEZNQCLSA-N 2 1 276.380 2.270 20 0 CEADMP CC(C)[NH2+]CCN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000375681343 157123068 /nfs/dbraw/zinc/12/30/68/157123068.db2.gz YTKVBCHXYOFRBE-KRWDZBQOSA-N 2 1 275.440 2.191 20 0 CEADMP Cc1ccnc([C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000375854200 157154309 /nfs/dbraw/zinc/15/43/09/157154309.db2.gz SHDRTHDRAUYQQQ-OLZOCXBDSA-N 2 1 256.353 2.252 20 0 CEADMP CC(C)Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000376284330 157205881 /nfs/dbraw/zinc/20/58/81/157205881.db2.gz YTLIEFCLLMWULJ-CVEARBPZSA-N 2 1 276.428 2.256 20 0 CEADMP CC(C)Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000376284330 157205884 /nfs/dbraw/zinc/20/58/84/157205884.db2.gz YTLIEFCLLMWULJ-CVEARBPZSA-N 2 1 276.428 2.256 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000168680539 162369531 /nfs/dbraw/zinc/36/95/31/162369531.db2.gz CDZJIVBIAQXPBU-RYUDHWBXSA-N 2 1 295.814 2.338 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1OCCc2sccc21 ZINC000292000152 287013169 /nfs/dbraw/zinc/01/31/69/287013169.db2.gz XOCLCRJOMMDDKH-IAQYHMDHSA-N 2 1 280.437 2.434 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000246318428 287022959 /nfs/dbraw/zinc/02/29/59/287022959.db2.gz AIJBKIPGKCBWPT-HZSPNIEDSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOCC(F)(F)F)C1 ZINC000173890919 165087617 /nfs/dbraw/zinc/08/76/17/165087617.db2.gz QMWFALADKISXJF-GFCCVEGCSA-N 2 1 282.350 2.229 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOCC(F)(F)F)C1 ZINC000173890919 165087624 /nfs/dbraw/zinc/08/76/24/165087624.db2.gz QMWFALADKISXJF-GFCCVEGCSA-N 2 1 282.350 2.229 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000173890919 165087626 /nfs/dbraw/zinc/08/76/26/165087626.db2.gz QMWFALADKISXJF-GFCCVEGCSA-N 2 1 282.350 2.229 20 0 CEADMP CC(C)N1CCC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1=O ZINC000178397018 165238640 /nfs/dbraw/zinc/23/86/40/165238640.db2.gz IZUCMYUTRYBHRS-LSDHHAIUSA-N 2 1 297.487 2.342 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000178593698 165247691 /nfs/dbraw/zinc/24/76/91/165247691.db2.gz HWXNMCLQSVAVEX-OCCSQVGLSA-N 2 1 280.387 2.449 20 0 CEADMP COCCC[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178704815 165254443 /nfs/dbraw/zinc/25/44/43/165254443.db2.gz IJEDNEHZDFHGQD-STQMWFEESA-N 2 1 253.390 2.232 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000178975620 165268557 /nfs/dbraw/zinc/26/85/57/165268557.db2.gz VHUYHYFCHYTWBS-KBPBESRZSA-N 2 1 254.443 2.346 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181714767 165352490 /nfs/dbraw/zinc/35/24/90/165352490.db2.gz VLVOLUZBMAROFH-HZSPNIEDSA-N 2 1 256.434 2.102 20 0 CEADMP O[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000037489981 173231941 /nfs/dbraw/zinc/23/19/41/173231941.db2.gz ZBJNMKMJXVIUJY-IAGOWNOFSA-N 2 1 274.408 2.154 20 0 CEADMP C[NH2+]C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000037536881 173255576 /nfs/dbraw/zinc/25/55/76/173255576.db2.gz NQSNOCFBBFFKDT-UHFFFAOYSA-N 2 1 255.365 2.419 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000038041983 174044382 /nfs/dbraw/zinc/04/43/82/174044382.db2.gz MLJHPBDNCWGYII-LBPRGKRZSA-N 2 1 264.417 2.238 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000062337138 414759083 /nfs/dbraw/zinc/75/90/83/414759083.db2.gz GYPFZSNREGGYKG-OCCSQVGLSA-N 2 1 265.426 2.416 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000062337138 414759093 /nfs/dbraw/zinc/75/90/93/414759093.db2.gz GYPFZSNREGGYKG-OCCSQVGLSA-N 2 1 265.426 2.416 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CC1CCCC1)C1CC1 ZINC000653892612 414777165 /nfs/dbraw/zinc/77/71/65/414777165.db2.gz KWJLENYMJKQVBR-DLBZAZTESA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CC1CCCC1)C1CC1 ZINC000653892612 414777169 /nfs/dbraw/zinc/77/71/69/414777169.db2.gz KWJLENYMJKQVBR-DLBZAZTESA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]1CC1CCCC1)C1CC1 ZINC000653892612 414777177 /nfs/dbraw/zinc/77/71/77/414777177.db2.gz KWJLENYMJKQVBR-DLBZAZTESA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]1CC1CCCC1)C1CC1 ZINC000653892612 414777182 /nfs/dbraw/zinc/77/71/82/414777182.db2.gz KWJLENYMJKQVBR-DLBZAZTESA-N 2 1 280.456 2.486 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCOCC(F)(F)F)[C@@H]1CC[NH3+] ZINC000404355139 414781756 /nfs/dbraw/zinc/78/17/56/414781756.db2.gz ZAEOZEBKLYVYAI-GHMZBOCLSA-N 2 1 268.323 2.015 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000121026225 414784498 /nfs/dbraw/zinc/78/44/98/414784498.db2.gz HNDQYKSWGYBHIG-XHSDSOJGSA-N 2 1 278.440 2.408 20 0 CEADMP Cc1csc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])n1 ZINC000404380033 414784534 /nfs/dbraw/zinc/78/45/34/414784534.db2.gz MBWUZRIHBHBWIW-JQWIXIFHSA-N 2 1 253.415 2.401 20 0 CEADMP Cc1csc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])n1 ZINC000404380033 414784538 /nfs/dbraw/zinc/78/45/38/414784538.db2.gz MBWUZRIHBHBWIW-JQWIXIFHSA-N 2 1 253.415 2.401 20 0 CEADMP CCCn1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cn1 ZINC000404490450 414785865 /nfs/dbraw/zinc/78/58/65/414785865.db2.gz AMRRCBCGVVLAIF-DZGCQCFKSA-N 2 1 264.417 2.242 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000405212909 414793316 /nfs/dbraw/zinc/79/33/16/414793316.db2.gz IVCWTBCAOOTTKT-DZGCQCFKSA-N 2 1 264.417 2.413 20 0 CEADMP CCO[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@H]1C[NH3+] ZINC000405474033 414795005 /nfs/dbraw/zinc/79/50/05/414795005.db2.gz VPYYGTKNYZKWCW-ZIAGYGMSSA-N 2 1 284.350 2.420 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@H]1C[NH3+] ZINC000405474033 414795011 /nfs/dbraw/zinc/79/50/11/414795011.db2.gz VPYYGTKNYZKWCW-ZIAGYGMSSA-N 2 1 284.350 2.420 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C1CCC1 ZINC000660416849 414808741 /nfs/dbraw/zinc/80/87/41/414808741.db2.gz XTBJBBWOMZZIFO-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCC(C)(C)C1 ZINC000660452199 414826196 /nfs/dbraw/zinc/82/61/96/414826196.db2.gz CNZFXWXIYDAAQC-ZIAGYGMSSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000660452199 414826200 /nfs/dbraw/zinc/82/62/00/414826200.db2.gz CNZFXWXIYDAAQC-ZIAGYGMSSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000660452199 414826206 /nfs/dbraw/zinc/82/62/06/414826206.db2.gz CNZFXWXIYDAAQC-ZIAGYGMSSA-N 2 1 256.434 2.198 20 0 CEADMP C[N@@H+](CCCNCc1cc2n(n1)CCC2)Cc1ccccc1 ZINC000657295904 414840460 /nfs/dbraw/zinc/84/04/60/414840460.db2.gz NKKBFPNAKLXEJA-UHFFFAOYSA-N 2 1 298.434 2.441 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000311434761 414860145 /nfs/dbraw/zinc/86/01/45/414860145.db2.gz DTAXYCOMRLAOTM-HOCLYGCPSA-N 2 1 260.381 2.256 20 0 CEADMP COCC[NH+]1CCC([NH2+]Cc2cc(COC)cs2)CC1 ZINC000657331112 414862550 /nfs/dbraw/zinc/86/25/50/414862550.db2.gz OPTVGLQXZXUOBV-UHFFFAOYSA-N 2 1 298.452 2.095 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653110667 414907979 /nfs/dbraw/zinc/90/79/79/414907979.db2.gz QHGBRLDRQWCJHW-HZPDHXFCSA-N 2 1 295.471 2.004 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653112762 414908820 /nfs/dbraw/zinc/90/88/20/414908820.db2.gz JGQPDFPNDFSQCE-GJZGRUSLSA-N 2 1 295.471 2.003 20 0 CEADMP CCc1noc(C)c1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660658961 414921650 /nfs/dbraw/zinc/92/16/50/414921650.db2.gz KVYFLLRWYSGLSN-MRXNPFEDSA-N 2 1 277.412 2.463 20 0 CEADMP c1ncc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663346202 414923940 /nfs/dbraw/zinc/92/39/40/414923940.db2.gz QJDCJOHWFJBATO-ZDUSSCGKSA-N 2 1 265.426 2.355 20 0 CEADMP c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663346202 414923943 /nfs/dbraw/zinc/92/39/43/414923943.db2.gz QJDCJOHWFJBATO-ZDUSSCGKSA-N 2 1 265.426 2.355 20 0 CEADMP CC[C@@H](CC(F)F)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000660678196 414933013 /nfs/dbraw/zinc/93/30/13/414933013.db2.gz YMGBGOVHGKBJJQ-ZDUSSCGKSA-N 2 1 292.414 2.493 20 0 CEADMP CC/C=C\CC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660697686 414938929 /nfs/dbraw/zinc/93/89/29/414938929.db2.gz IOZUVOAMSWKRQG-WAYWQWQTSA-N 2 1 268.445 2.415 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc3c(c1)OCCO3)C2 ZINC000314894018 414869459 /nfs/dbraw/zinc/86/94/59/414869459.db2.gz MRLYXGLSXDRRKP-YOEHRIQHSA-N 2 1 288.391 2.019 20 0 CEADMP C[C@@H]1C[C@H](NCC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000663497759 414971291 /nfs/dbraw/zinc/97/12/91/414971291.db2.gz JTJHBUCBUQSSMO-ZTRSQXPZSA-N 2 1 299.462 2.381 20 0 CEADMP CC(C)[C@@H](C[N@@H+]1CCOC2(CNC2)C1)c1ccccc1 ZINC000663509001 414977487 /nfs/dbraw/zinc/97/74/87/414977487.db2.gz IKYNQDBRAKYHCC-MRXNPFEDSA-N 2 1 274.408 2.100 20 0 CEADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccco3)cc2)C1 ZINC000657594658 415015963 /nfs/dbraw/zinc/01/59/63/415015963.db2.gz JYQROKCWVHKRES-MRXNPFEDSA-N 2 1 286.375 2.136 20 0 CEADMP C[C@@H](c1cccnc1)[N@@H+](C)CCCc1cncn1C ZINC000653593336 415046527 /nfs/dbraw/zinc/04/65/27/415046527.db2.gz XOFJLNMUPWEECA-ZDUSSCGKSA-N 2 1 258.369 2.441 20 0 CEADMP C[C@@H](c1cccnc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000653593336 415046536 /nfs/dbraw/zinc/04/65/36/415046536.db2.gz XOFJLNMUPWEECA-ZDUSSCGKSA-N 2 1 258.369 2.441 20 0 CEADMP Cc1cc(F)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750659 415068567 /nfs/dbraw/zinc/06/85/67/415068567.db2.gz LBYMBJBUEMHBQP-KRWDZBQOSA-N 2 1 292.398 2.477 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCc1ccco1 ZINC000657783124 415076575 /nfs/dbraw/zinc/07/65/75/415076575.db2.gz QWUWKJWMZUWWFE-UHFFFAOYSA-N 2 1 259.353 2.463 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCn2nccc21 ZINC000657817470 415092230 /nfs/dbraw/zinc/09/22/30/415092230.db2.gz SKPAFUSLLXIZMT-CYBMUJFWSA-N 2 1 250.390 2.040 20 0 CEADMP COc1cccc2c1C[N@H+](CCCc1c[nH+]cn1C)CC2 ZINC000653749978 415094152 /nfs/dbraw/zinc/09/41/52/415094152.db2.gz KXHJPCPKPFRGHC-UHFFFAOYSA-N 2 1 285.391 2.420 20 0 CEADMP COc1cccc2c1C[N@@H+](CCCc1c[nH+]cn1C)CC2 ZINC000653749978 415094154 /nfs/dbraw/zinc/09/41/54/415094154.db2.gz KXHJPCPKPFRGHC-UHFFFAOYSA-N 2 1 285.391 2.420 20 0 CEADMP C[N@H+]1CCC[C@H]2CN(c3[nH+]ccc4[nH]ccc43)CC[C@@H]21 ZINC000663722738 415029129 /nfs/dbraw/zinc/02/91/29/415029129.db2.gz SRCWUJIFKWKXMR-WFASDCNBSA-N 2 1 270.380 2.483 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)CN[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000660909392 415031392 /nfs/dbraw/zinc/03/13/92/415031392.db2.gz UMZTZBRZZHJGGI-FRRDWIJNSA-N 2 1 296.377 2.398 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000660909392 415031403 /nfs/dbraw/zinc/03/14/03/415031403.db2.gz UMZTZBRZZHJGGI-FRRDWIJNSA-N 2 1 296.377 2.398 20 0 CEADMP CC(C)(C)OCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657638369 415034346 /nfs/dbraw/zinc/03/43/46/415034346.db2.gz NVOIKWDRFGCZQH-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP FCC1(CF)CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000657837110 415100960 /nfs/dbraw/zinc/10/09/60/415100960.db2.gz DLMSIMNKTGJFNO-STQMWFEESA-N 2 1 258.356 2.291 20 0 CEADMP FCC1(CF)CC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000657837110 415100963 /nfs/dbraw/zinc/10/09/63/415100963.db2.gz DLMSIMNKTGJFNO-STQMWFEESA-N 2 1 258.356 2.291 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](COC)CC2CCOCC2)C1 ZINC000657845334 415103083 /nfs/dbraw/zinc/10/30/83/415103083.db2.gz NEOXLNITLPSNIC-IAGOWNOFSA-N 2 1 298.471 2.140 20 0 CEADMP CCOC1CCC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000657879639 415111751 /nfs/dbraw/zinc/11/17/51/415111751.db2.gz MAMACILLWSXLQO-CGZBRXJRSA-N 2 1 298.471 2.161 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661166919 415118333 /nfs/dbraw/zinc/11/83/33/415118333.db2.gz DDMFDEKOYFFZPC-INIZCTEOSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661166919 415118339 /nfs/dbraw/zinc/11/83/39/415118339.db2.gz DDMFDEKOYFFZPC-INIZCTEOSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661169491 415119165 /nfs/dbraw/zinc/11/91/65/415119165.db2.gz UVMBEILJYDREHC-HNNXBMFYSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661169491 415119168 /nfs/dbraw/zinc/11/91/68/415119168.db2.gz UVMBEILJYDREHC-HNNXBMFYSA-N 2 1 263.385 2.083 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc2cnccc2o1 ZINC000657981990 415143593 /nfs/dbraw/zinc/14/35/93/415143593.db2.gz JXWWPNQRZPRXAB-LLVKDONJSA-N 2 1 270.336 2.455 20 0 CEADMP CC[N@@H+](CCC[NH2+][C@@H](C)Cn1cncn1)C1CCCCC1 ZINC000658042476 415169997 /nfs/dbraw/zinc/16/99/97/415169997.db2.gz FGGRJEIXWSQDAZ-HNNXBMFYSA-N 2 1 293.459 2.301 20 0 CEADMP CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cc[nH+]cc1Cl ZINC000664141938 415192239 /nfs/dbraw/zinc/19/22/39/415192239.db2.gz DLAIGEYJIXADQS-SNVBAGLBSA-N 2 1 253.777 2.442 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1CNc1cc[nH+]cc1Cl ZINC000664141938 415192245 /nfs/dbraw/zinc/19/22/45/415192245.db2.gz DLAIGEYJIXADQS-SNVBAGLBSA-N 2 1 253.777 2.442 20 0 CEADMP Cc1cc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)nc(C2CC2)n1 ZINC000664245796 415243341 /nfs/dbraw/zinc/24/33/41/415243341.db2.gz XYPSSIKWONNQFQ-CHWSQXEVSA-N 2 1 290.411 2.184 20 0 CEADMP Cc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)nc(C2CC2)n1 ZINC000664245796 415243348 /nfs/dbraw/zinc/24/33/48/415243348.db2.gz XYPSSIKWONNQFQ-CHWSQXEVSA-N 2 1 290.411 2.184 20 0 CEADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000658209260 415256319 /nfs/dbraw/zinc/25/63/19/415256319.db2.gz ZIHJBCDPGJHRIP-SRABZTEZSA-N 2 1 278.440 2.266 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C)O2)[C@H](C)C1 ZINC000658218202 415259418 /nfs/dbraw/zinc/25/94/18/415259418.db2.gz HOERUUKMRVEZQK-KBXIAJHMSA-N 2 1 254.418 2.264 20 0 CEADMP C(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC1CCC1 ZINC000658220815 415261130 /nfs/dbraw/zinc/26/11/30/415261130.db2.gz ITXGDKQLRVEQGH-MRXNPFEDSA-N 2 1 266.429 2.410 20 0 CEADMP COC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(OC)c1 ZINC000661469122 415274992 /nfs/dbraw/zinc/27/49/92/415274992.db2.gz FRAZKLXEOLAZNO-INIZCTEOSA-N 2 1 289.379 2.177 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCc3ccc(O)cc32)CC1 ZINC000658241904 415275130 /nfs/dbraw/zinc/27/51/30/415275130.db2.gz XOOZIXRDVKRRSO-INIZCTEOSA-N 2 1 260.381 2.453 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C=C\CO ZINC000658132318 415225511 /nfs/dbraw/zinc/22/55/11/415225511.db2.gz GZUQDHCLWAMBBT-FHYYHZITSA-N 2 1 274.408 2.035 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@H](O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658348210 415329118 /nfs/dbraw/zinc/32/91/18/415329118.db2.gz NASJJVRGNDRAKN-MWQQHZPXSA-N 2 1 274.408 2.010 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000655701283 415397451 /nfs/dbraw/zinc/39/74/51/415397451.db2.gz QYVILDRIJVYKSL-XJKSGUPXSA-N 2 1 266.429 2.266 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655739030 415427037 /nfs/dbraw/zinc/42/70/37/415427037.db2.gz UMIWDMFRQVKHEE-HYVNUMGLSA-N 2 1 296.455 2.035 20 0 CEADMP Cn1cnc(CN2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000661651026 415381922 /nfs/dbraw/zinc/38/19/22/415381922.db2.gz YAOJCTZEZUFDTL-GOSISDBHSA-N 2 1 298.434 2.169 20 0 CEADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CCCCS1 ZINC000655754965 415436274 /nfs/dbraw/zinc/43/62/74/415436274.db2.gz ZGCMSUOMQUDLCL-GJZGRUSLSA-N 2 1 284.469 2.115 20 0 CEADMP CC(C)=CCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655760594 415440961 /nfs/dbraw/zinc/44/09/61/415440961.db2.gz VAJIFDRQSGQTBQ-OAHLLOKOSA-N 2 1 252.402 2.186 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664864789 415502084 /nfs/dbraw/zinc/50/20/84/415502084.db2.gz CKMUWDSEJYUKSC-CQSZACIVSA-N 2 1 276.428 2.278 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664864789 415502087 /nfs/dbraw/zinc/50/20/87/415502087.db2.gz CKMUWDSEJYUKSC-CQSZACIVSA-N 2 1 276.428 2.278 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664864789 415502094 /nfs/dbraw/zinc/50/20/94/415502094.db2.gz CKMUWDSEJYUKSC-CQSZACIVSA-N 2 1 276.428 2.278 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664864789 415502098 /nfs/dbraw/zinc/50/20/98/415502098.db2.gz CKMUWDSEJYUKSC-CQSZACIVSA-N 2 1 276.428 2.278 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000655773725 415452153 /nfs/dbraw/zinc/45/21/53/415452153.db2.gz FREGGRKWBNNERD-XIRDDKMYSA-N 2 1 278.440 2.266 20 0 CEADMP COCC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000655774516 415457176 /nfs/dbraw/zinc/45/71/76/415457176.db2.gz VLYCQHYCVMMOKW-MRXNPFEDSA-N 2 1 296.455 2.036 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000664719451 415462386 /nfs/dbraw/zinc/46/23/86/415462386.db2.gz SNOBDJQRKFWSLT-HUUCEWRRSA-N 2 1 297.487 2.249 20 0 CEADMP C1C[C@H]2C[C@H](N[C@H]3CCC[NH+]4CCCC[C@H]34)CC[N@H+]2C1 ZINC000655849036 415516907 /nfs/dbraw/zinc/51/69/07/415516907.db2.gz PDAHXXMDCXEHKB-LTIDMASMSA-N 2 1 277.456 2.220 20 0 CEADMP C1C[C@H]2C[C@H](N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC[NH+]2C1 ZINC000655849036 415516912 /nfs/dbraw/zinc/51/69/12/415516912.db2.gz PDAHXXMDCXEHKB-LTIDMASMSA-N 2 1 277.456 2.220 20 0 CEADMP C1C[C@H]2C[C@H](N[C@H]3CCC[N@H+]4CCCC[C@H]34)CC[NH+]2C1 ZINC000655849036 415516916 /nfs/dbraw/zinc/51/69/16/415516916.db2.gz PDAHXXMDCXEHKB-LTIDMASMSA-N 2 1 277.456 2.220 20 0 CEADMP C1C[C@H]2C[C@H]([NH2+][C@H]3CCCN4CCCC[C@H]34)CC[N@@H+]2C1 ZINC000655849036 415516922 /nfs/dbraw/zinc/51/69/22/415516922.db2.gz PDAHXXMDCXEHKB-LTIDMASMSA-N 3 1 277.456 2.220 20 0 CEADMP C1C[C@H]2C[C@H]([NH2+][C@H]3CCCN4CCCC[C@H]34)CC[N@H+]2C1 ZINC000655849036 415516926 /nfs/dbraw/zinc/51/69/26/415516926.db2.gz PDAHXXMDCXEHKB-LTIDMASMSA-N 3 1 277.456 2.220 20 0 CEADMP C(C[N@H+]1CCC[C@H](OC2CCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000655948057 415558352 /nfs/dbraw/zinc/55/83/52/415558352.db2.gz WXGVLSOGGCPOIA-ZBFHGGJFSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2noc3ccccc32)C1 ZINC000655938157 415560731 /nfs/dbraw/zinc/56/07/31/415560731.db2.gz OCAZHXZVZSAQCR-OLZOCXBDSA-N 2 1 273.380 2.430 20 0 CEADMP COc1cccc2c1OCC[C@H]2[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000656194596 415628705 /nfs/dbraw/zinc/62/87/05/415628705.db2.gz MAXVCUAYNZHBDP-CZUORRHYSA-N 2 1 276.380 2.108 20 0 CEADMP CC[C@H]([NH2+]CCc1noc2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000665232230 415634869 /nfs/dbraw/zinc/63/48/69/415634869.db2.gz ISGGJUGIAFCVBE-ZFWWWQNUSA-N 2 1 273.380 2.491 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000665236804 415638650 /nfs/dbraw/zinc/63/86/50/415638650.db2.gz UWCAKAZNKLJJRP-MELADBBJSA-N 2 1 253.434 2.109 20 0 CEADMP Cc1ccnc(NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000656210242 415643406 /nfs/dbraw/zinc/64/34/06/415643406.db2.gz BXIBPZOARUSQIB-MCIONIFRSA-N 2 1 263.385 2.300 20 0 CEADMP C[C@H]1COCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252559 415651661 /nfs/dbraw/zinc/65/16/61/415651661.db2.gz SJSJBHSFLIPPPX-RKTXRCNFSA-N 2 1 274.408 2.147 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258613 415653961 /nfs/dbraw/zinc/65/39/61/415653961.db2.gz GFBZQSMFXKVTOF-KBRIMQKVSA-N 3 1 293.430 2.378 20 0 CEADMP O[C@@H]1CC[N@@H+](C2CC[NH+]([C@@H]3CCc4ccccc43)CC2)C1 ZINC000662152736 415655551 /nfs/dbraw/zinc/65/55/51/415655551.db2.gz YRDJFEYRVNEWLL-SJLPKXTDSA-N 2 1 286.419 2.205 20 0 CEADMP O[C@@H]1CC[N@H+](C2CC[NH+]([C@@H]3CCc4ccccc43)CC2)C1 ZINC000662152736 415655560 /nfs/dbraw/zinc/65/55/60/415655560.db2.gz YRDJFEYRVNEWLL-SJLPKXTDSA-N 2 1 286.419 2.205 20 0 CEADMP C1C[N@@H+](C2CCCCC2)C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000665268639 415660458 /nfs/dbraw/zinc/66/04/58/415660458.db2.gz SFWZSDFHTHCLIM-TWMKSMIVSA-N 3 1 291.483 2.371 20 0 CEADMP C1C[N@H+](C2CCCCC2)C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000665268639 415660465 /nfs/dbraw/zinc/66/04/65/415660465.db2.gz SFWZSDFHTHCLIM-TWMKSMIVSA-N 3 1 291.483 2.371 20 0 CEADMP C[C@@H](NCC12CC(C1)C[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665278819 415670419 /nfs/dbraw/zinc/67/04/19/415670419.db2.gz PLNWBKROIBPCMS-ZTRSQXPZSA-N 2 1 299.462 2.239 20 0 CEADMP C[NH2+]C[C@H](C)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000665295589 415682630 /nfs/dbraw/zinc/68/26/30/415682630.db2.gz GGVHVHXHGLXJLS-QWHCGFSZSA-N 2 1 272.396 2.439 20 0 CEADMP C[NH2+]C[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000665297948 415684460 /nfs/dbraw/zinc/68/44/60/415684460.db2.gz OYYORGZTWOYXSX-DDBAPUKQSA-N 2 1 287.451 2.380 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000665297470 415685847 /nfs/dbraw/zinc/68/58/47/415685847.db2.gz GJJMGVKFKLOGCI-GOEBONIOSA-N 2 1 264.413 2.425 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000071146512 176042375 /nfs/dbraw/zinc/04/23/75/176042375.db2.gz FDQCHEAQRSPMHC-ZDUSSCGKSA-N 2 1 271.364 2.383 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000071146512 176042377 /nfs/dbraw/zinc/04/23/77/176042377.db2.gz FDQCHEAQRSPMHC-ZDUSSCGKSA-N 2 1 271.364 2.383 20 0 CEADMP CC(C)C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662253087 415717844 /nfs/dbraw/zinc/71/78/44/415717844.db2.gz USAMIOLSKBILQW-OAHLLOKOSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662253992 415720142 /nfs/dbraw/zinc/72/01/42/415720142.db2.gz DFCYKLUJLXUSJP-GJZGRUSLSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@]1(C)CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256630 415724137 /nfs/dbraw/zinc/72/41/37/415724137.db2.gz XCIDFKVMWWYOFH-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000662258555 415727224 /nfs/dbraw/zinc/72/72/24/415727224.db2.gz JWOBOXHTQAVOBU-AEFFLSMTSA-N 2 1 286.419 2.333 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC000659868359 415747274 /nfs/dbraw/zinc/74/72/74/415747274.db2.gz ZWFSJAWBGDZFKV-IRXDYDNUSA-N 2 1 298.471 2.092 20 0 CEADMP c1ccc([C@H]2CCC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662283347 415748878 /nfs/dbraw/zinc/74/88/78/415748878.db2.gz IIGUSDOBLPTOBB-DLBZAZTESA-N 2 1 286.419 2.387 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H]2OCC[C@@H]21 ZINC000662297114 415763411 /nfs/dbraw/zinc/76/34/11/415763411.db2.gz AVFJQOZAISCJPC-GJZGRUSLSA-N 2 1 252.402 2.020 20 0 CEADMP COc1cccc(CCC[N@@H+]2CC3CC2(C[NH3+])C3)c1 ZINC000662304645 415767858 /nfs/dbraw/zinc/76/78/58/415767858.db2.gz SOTXVJDPIDAODB-UHFFFAOYSA-N 2 1 260.381 2.051 20 0 CEADMP COc1cccc(CCC[N@H+]2CC3CC2(C[NH3+])C3)c1 ZINC000662304645 415767862 /nfs/dbraw/zinc/76/78/62/415767862.db2.gz SOTXVJDPIDAODB-UHFFFAOYSA-N 2 1 260.381 2.051 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCC(=O)NC2CCCC2)[C@@H]1CCC[NH3+] ZINC000662313818 415773394 /nfs/dbraw/zinc/77/33/94/415773394.db2.gz NFPIDRFGENNQLJ-GDBMZVCRSA-N 2 1 295.471 2.275 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000662316018 415774507 /nfs/dbraw/zinc/77/45/07/415774507.db2.gz VEEINJRGXOJFJL-INIZCTEOSA-N 2 1 266.429 2.269 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCO[C@H]2CC2(F)F)[C@@H]1CCC[NH3+] ZINC000662315925 415775010 /nfs/dbraw/zinc/77/50/10/415775010.db2.gz SWCAUMGGIFMFIY-UPJWGTAASA-N 2 1 276.371 2.250 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000662315019 415775321 /nfs/dbraw/zinc/77/53/21/415775321.db2.gz JTHLSQCHXGPACF-RBSFLKMASA-N 2 1 260.381 2.079 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(C3CC3)no2)C[C@@H]1C[NH3+] ZINC000662284079 415751119 /nfs/dbraw/zinc/75/11/19/415751119.db2.gz SRQJSHHEQAISEQ-WZRBSPASSA-N 2 1 263.385 2.357 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(C3CC3)no2)C[C@@H]1C[NH3+] ZINC000662284079 415751122 /nfs/dbraw/zinc/75/11/22/415751122.db2.gz SRQJSHHEQAISEQ-WZRBSPASSA-N 2 1 263.385 2.357 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)C1CCCC1 ZINC000662284113 415753572 /nfs/dbraw/zinc/75/35/72/415753572.db2.gz TTWBLLAIEXGBQD-DARAHFNDSA-N 2 1 268.445 2.497 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)co1 ZINC000662294269 415758632 /nfs/dbraw/zinc/75/86/32/415758632.db2.gz QOFFXRQAALPVOR-CQSZACIVSA-N 2 1 263.385 2.195 20 0 CEADMP Cc1nnsc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293832 415759843 /nfs/dbraw/zinc/75/98/43/415759843.db2.gz OKQOQQDIFSCBBE-ZDUSSCGKSA-N 2 1 280.441 2.058 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC2CC=CC2)CC1 ZINC000659911073 415779671 /nfs/dbraw/zinc/77/96/71/415779671.db2.gz VISAPCOJOIBPSX-QGZVFWFLSA-N 2 1 277.456 2.055 20 0 CEADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@](C)(C(F)F)O1 ZINC000662334674 415786482 /nfs/dbraw/zinc/78/64/82/415786482.db2.gz BTOWKODBMPFCGJ-BXUZGUMPSA-N 2 1 276.371 2.121 20 0 CEADMP O[C@]1(C(F)(F)F)CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000656630565 415790634 /nfs/dbraw/zinc/79/06/34/415790634.db2.gz YMGNGTZPWGVOQB-DGCLKSJQSA-N 2 1 292.345 2.049 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](CCCC2CCC2)CC1 ZINC000659931500 415791853 /nfs/dbraw/zinc/79/18/53/415791853.db2.gz PWMOFGXKWQBTHK-UHFFFAOYSA-N 2 1 268.445 2.345 20 0 CEADMP CO[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C1CCC1 ZINC000659946132 415800180 /nfs/dbraw/zinc/80/01/80/415800180.db2.gz DJRABGXISSLYNX-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C1CCC1 ZINC000659946132 415800187 /nfs/dbraw/zinc/80/01/87/415800187.db2.gz DJRABGXISSLYNX-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000659946132 415800192 /nfs/dbraw/zinc/80/01/92/415800192.db2.gz DJRABGXISSLYNX-DZGCQCFKSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC000659976058 415817892 /nfs/dbraw/zinc/81/78/92/415817892.db2.gz PVOSRKJXRWPFBE-ZBFHGGJFSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@]1(C)CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000659975816 415818441 /nfs/dbraw/zinc/81/84/41/415818441.db2.gz OVMKSPZWMWXXDN-GJZGRUSLSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@]1(C)CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000659975816 415818445 /nfs/dbraw/zinc/81/84/45/415818445.db2.gz OVMKSPZWMWXXDN-GJZGRUSLSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@@]1(C)CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000659975816 415818449 /nfs/dbraw/zinc/81/84/49/415818449.db2.gz OVMKSPZWMWXXDN-GJZGRUSLSA-N 2 1 256.434 2.200 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000662386481 415819208 /nfs/dbraw/zinc/81/92/08/415819208.db2.gz ASPSRPIJFKJTTL-PMPSAXMXSA-N 2 1 297.487 2.234 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC000659978852 415822472 /nfs/dbraw/zinc/82/24/72/415822472.db2.gz GHEDWHHCJXFOFO-OAHLLOKOSA-N 2 1 295.427 2.224 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC000659978852 415822476 /nfs/dbraw/zinc/82/24/76/415822476.db2.gz GHEDWHHCJXFOFO-OAHLLOKOSA-N 2 1 295.427 2.224 20 0 CEADMP O=C(c1cccc2c1C[NH2+]C2)N1CC[NH2+]Cc2ccccc21 ZINC000662408987 415828757 /nfs/dbraw/zinc/82/87/57/415828757.db2.gz CGXZSNBHKCYAIM-UHFFFAOYSA-N 2 1 293.370 2.040 20 0 CEADMP COc1cccc([C@@]2(C)CC[N@H+](CC(C)(C)[NH3+])C2)c1 ZINC000656792624 415866696 /nfs/dbraw/zinc/86/66/96/415866696.db2.gz UGAPCRBNSZXIAH-INIZCTEOSA-N 2 1 262.397 2.396 20 0 CEADMP COc1cccc([C@@]2(C)CC[N@@H+](CC(C)(C)[NH3+])C2)c1 ZINC000656792624 415866700 /nfs/dbraw/zinc/86/67/00/415866700.db2.gz UGAPCRBNSZXIAH-INIZCTEOSA-N 2 1 262.397 2.396 20 0 CEADMP CC(C)[NH+](CCc1nccs1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660125841 415893115 /nfs/dbraw/zinc/89/31/15/415893115.db2.gz LWENMRURMRKEMS-CQSZACIVSA-N 2 1 299.484 2.097 20 0 CEADMP CC(C)[NH+](CCc1nccs1)C[C@H](O)C[N@H+](C)C(C)C ZINC000660125841 415893120 /nfs/dbraw/zinc/89/31/20/415893120.db2.gz LWENMRURMRKEMS-CQSZACIVSA-N 2 1 299.484 2.097 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CCc1nccs1)C(C)C ZINC000660125841 415893126 /nfs/dbraw/zinc/89/31/26/415893126.db2.gz LWENMRURMRKEMS-CQSZACIVSA-N 2 1 299.484 2.097 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CCc1nccs1)C(C)C ZINC000660125841 415893130 /nfs/dbraw/zinc/89/31/30/415893130.db2.gz LWENMRURMRKEMS-CQSZACIVSA-N 2 1 299.484 2.097 20 0 CEADMP CC(C)=CCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000660156896 415907303 /nfs/dbraw/zinc/90/73/03/415907303.db2.gz SGUXRXOGXOKXDV-DLBZAZTESA-N 2 1 279.472 2.301 20 0 CEADMP C[N@H+](Cc1cccc(C2CCCC2)c1)C[C@H](O)C[NH3+] ZINC000656784454 415860403 /nfs/dbraw/zinc/86/04/03/415860403.db2.gz BBNABJUHTABKLC-MRXNPFEDSA-N 2 1 262.397 2.096 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[NH2+]C(C)C)c2C1 ZINC000662704690 415936796 /nfs/dbraw/zinc/93/67/96/415936796.db2.gz KISREEYKXIPLGE-UHFFFAOYSA-N 2 1 275.396 2.349 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)C[NH2+]C(C)C)c2C1 ZINC000662704690 415936800 /nfs/dbraw/zinc/93/68/00/415936800.db2.gz KISREEYKXIPLGE-UHFFFAOYSA-N 2 1 275.396 2.349 20 0 CEADMP COCC1(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000566738385 299019196 /nfs/dbraw/zinc/01/91/96/299019196.db2.gz YFXDVPOLMOBUSN-RRFJBIMHSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCC[N@H+]1C1CCN(CCC[NH+]2CCCC2)CC1 ZINC000162586727 287367855 /nfs/dbraw/zinc/36/78/55/287367855.db2.gz WQUXCQYFPHPPQW-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP CCn1cncc1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000417933231 227225713 /nfs/dbraw/zinc/22/57/13/227225713.db2.gz NZBQLEICXYJASO-AWEZNQCLSA-N 2 1 266.433 2.359 20 0 CEADMP COCc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)o1 ZINC000355048197 227346235 /nfs/dbraw/zinc/34/62/35/227346235.db2.gz YOVDYWRBVXLPFR-UHFFFAOYSA-N 2 1 278.396 2.486 20 0 CEADMP C[C@@H](C(=O)NC(C)(C)CCC[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000665922400 419478593 /nfs/dbraw/zinc/47/85/93/419478593.db2.gz JVKXLFXUZYEBSD-ZNMIVQPWSA-N 2 1 297.487 2.484 20 0 CEADMP C[NH+](C)CCOc1ccc(C[NH2+][C@H](CN)C(C)(C)C)cc1 ZINC000666981125 419501653 /nfs/dbraw/zinc/50/16/53/419501653.db2.gz DRXCRAWRNXMGGN-MRXNPFEDSA-N 2 1 293.455 2.090 20 0 CEADMP C[NH+](C)CCOc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000666981125 419501659 /nfs/dbraw/zinc/50/16/59/419501659.db2.gz DRXCRAWRNXMGGN-MRXNPFEDSA-N 3 1 293.455 2.090 20 0 CEADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000667732740 419785619 /nfs/dbraw/zinc/78/56/19/419785619.db2.gz RDCPTBJDWQRDCE-OAHLLOKOSA-N 2 1 290.411 2.093 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667784535 419802882 /nfs/dbraw/zinc/80/28/82/419802882.db2.gz RJCMIHQWXXBDMO-IXDOHACOSA-N 2 1 279.472 2.182 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CO1 ZINC000402233089 260264565 /nfs/dbraw/zinc/26/45/65/260264565.db2.gz VNBJZYLXPXOFPZ-CRAIPNDOSA-N 2 1 288.435 2.461 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000390149363 262141622 /nfs/dbraw/zinc/14/16/22/262141622.db2.gz SPWBTFCVOZKMDU-PBHICJAKSA-N 2 1 284.407 2.243 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000390149363 262141623 /nfs/dbraw/zinc/14/16/23/262141623.db2.gz SPWBTFCVOZKMDU-PBHICJAKSA-N 2 1 284.407 2.243 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000425414403 264292186 /nfs/dbraw/zinc/29/21/86/264292186.db2.gz FWWNSLGCFJCUGV-ZBFHGGJFSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C1CC1 ZINC000425415512 264292887 /nfs/dbraw/zinc/29/28/87/264292887.db2.gz GRHYUFQQWIAGMU-GOEBONIOSA-N 2 1 266.429 2.075 20 0 CEADMP CO[C@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CC1 ZINC000425415512 264292889 /nfs/dbraw/zinc/29/28/89/264292889.db2.gz GRHYUFQQWIAGMU-GOEBONIOSA-N 2 1 266.429 2.075 20 0 CEADMP CO[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CC1 ZINC000425415512 264292890 /nfs/dbraw/zinc/29/28/90/264292890.db2.gz GRHYUFQQWIAGMU-GOEBONIOSA-N 2 1 266.429 2.075 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCCOCC(F)(F)F)C[C@H]1C[NH3+] ZINC000397403209 270353978 /nfs/dbraw/zinc/35/39/78/270353978.db2.gz KSWDVIWCCNHECZ-GRYCIOLGSA-N 2 1 282.350 2.261 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000518995620 265285102 /nfs/dbraw/zinc/28/51/02/265285102.db2.gz CXIMXNFHGHLKFU-HIFRSBDPSA-N 2 1 262.397 2.439 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCOc2ccc(F)cc2C1 ZINC000518996437 265287121 /nfs/dbraw/zinc/28/71/21/265287121.db2.gz ZVPXFOCIVDOWFV-UHFFFAOYSA-N 2 1 289.354 2.386 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)CC1CCCC1 ZINC000232130323 270314596 /nfs/dbraw/zinc/31/45/96/270314596.db2.gz KBDGFMUSIPTSHJ-XHSDSOJGSA-N 2 1 266.429 2.144 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)CC1CCCC1 ZINC000232130323 270314598 /nfs/dbraw/zinc/31/45/98/270314598.db2.gz KBDGFMUSIPTSHJ-XHSDSOJGSA-N 2 1 266.429 2.144 20 0 CEADMP [NH3+]C1(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCCCC1 ZINC000237948121 270324771 /nfs/dbraw/zinc/32/47/71/270324771.db2.gz GZXOZPCOXOPDDZ-HNNXBMFYSA-N 2 1 293.455 2.029 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000397267460 270352594 /nfs/dbraw/zinc/35/25/94/270352594.db2.gz VWDBXCQAGKDXEO-WWGRRREGSA-N 2 1 289.423 2.450 20 0 CEADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(F)c1 ZINC000422733710 270745255 /nfs/dbraw/zinc/74/52/55/270745255.db2.gz RJGUVVYNTMQJAD-FVQBIDKESA-N 2 1 279.403 2.145 20 0 CEADMP CC[C@H]([NH2+]CCOCc1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422996483 270815186 /nfs/dbraw/zinc/81/51/86/270815186.db2.gz SVILZJSNMTZJFV-IRXDYDNUSA-N 2 1 292.423 2.332 20 0 CEADMP Cc1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000423156107 270853864 /nfs/dbraw/zinc/85/38/64/270853864.db2.gz RSPFYJDZTZDGSM-RRFJBIMHSA-N 2 1 280.437 2.303 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1(C)C ZINC000423189333 270865618 /nfs/dbraw/zinc/86/56/18/270865618.db2.gz PFGFNAIEYVMWSQ-HOTGVXAUSA-N 2 1 291.439 2.355 20 0 CEADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423288648 270890500 /nfs/dbraw/zinc/89/05/00/270890500.db2.gz UDCGJYQVSCBJQG-GFCCVEGCSA-N 2 1 250.386 2.347 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423358885 270903247 /nfs/dbraw/zinc/90/32/47/270903247.db2.gz CHGPJMRZMIDACH-ZANVPECISA-N 2 1 283.213 2.243 20 0 CEADMP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(F)cn1 ZINC000423353947 270903866 /nfs/dbraw/zinc/90/38/66/270903866.db2.gz CGYLKNGSBJFWAC-CHWSQXEVSA-N 2 1 251.349 2.404 20 0 CEADMP COC(=O)c1csc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000423360236 270904259 /nfs/dbraw/zinc/90/42/59/270904259.db2.gz QCHUOKXVBCYTQD-ZYHUDNBSSA-N 2 1 282.409 2.327 20 0 CEADMP Fc1ccc([C@H](C[C@@H]2CCCO2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423429045 270912167 /nfs/dbraw/zinc/91/21/67/270912167.db2.gz KULAFNXOHSABQC-ZOFXXKQRSA-N 2 1 290.382 2.243 20 0 CEADMP CN(C[C@@H](C[NH3+])c1ccc(F)cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000424306817 271042679 /nfs/dbraw/zinc/04/26/79/271042679.db2.gz WBYADUKERJIPRO-RHSMWYFYSA-N 2 1 291.414 2.037 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424333563 271046695 /nfs/dbraw/zinc/04/66/95/271046695.db2.gz UNUAKDAYUOXSOM-MWQQHZPXSA-N 2 1 274.408 2.010 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CC(C)(C)COC)CC1 ZINC000426413224 271219960 /nfs/dbraw/zinc/21/99/60/271219960.db2.gz RKABNFVXFIOPFX-UHFFFAOYSA-N 2 1 256.434 2.465 20 0 CEADMP CCc1cccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428035274 271240284 /nfs/dbraw/zinc/24/02/84/271240284.db2.gz UYXPLGDSDPRJEJ-DOTOQJQBSA-N 2 1 274.408 2.312 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428035274 271240287 /nfs/dbraw/zinc/24/02/87/271240287.db2.gz UYXPLGDSDPRJEJ-DOTOQJQBSA-N 2 1 274.408 2.312 20 0 CEADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(CC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000428994905 271303988 /nfs/dbraw/zinc/30/39/88/271303988.db2.gz NYCXUMQFARKOON-ZACQAIPSSA-N 2 1 279.472 2.134 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CCOC1 ZINC000429231640 271315251 /nfs/dbraw/zinc/31/52/51/271315251.db2.gz PVXKKNVHEFRIKV-CQSZACIVSA-N 2 1 265.401 2.194 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CCOC1 ZINC000429231640 271315255 /nfs/dbraw/zinc/31/52/55/271315255.db2.gz PVXKKNVHEFRIKV-CQSZACIVSA-N 2 1 265.401 2.194 20 0 CEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000430551492 271389016 /nfs/dbraw/zinc/38/90/16/271389016.db2.gz IIEYXHYONNWBGL-HNNXBMFYSA-N 2 1 281.375 2.117 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000430562043 271390753 /nfs/dbraw/zinc/39/07/53/271390753.db2.gz CFOHRBCNJJSZEM-UHFFFAOYSA-N 2 1 295.402 2.379 20 0 CEADMP C[C@](C[NH3+])([NH2+]CCC(=O)Nc1cccc(Cl)c1)C1CC1 ZINC000430575116 271391658 /nfs/dbraw/zinc/39/16/58/271391658.db2.gz JVDXVPLOXDCNGS-OAHLLOKOSA-N 2 1 295.814 2.386 20 0 CEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1ccc2c(c1)CCO2 ZINC000430582105 271394673 /nfs/dbraw/zinc/39/46/73/271394673.db2.gz KBCZOIBSZWQKKK-INIZCTEOSA-N 2 1 262.397 2.127 20 0 CEADMP CCCCc1noc([C@@H](C)[NH+]2CCC(C[NH2+]C)CC2)n1 ZINC000430923719 271414009 /nfs/dbraw/zinc/41/40/09/271414009.db2.gz GGXOUKFDBITVSQ-GFCCVEGCSA-N 2 1 280.416 2.405 20 0 CEADMP CC(C)c1cc(N2CCC[C@H]([NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000360984536 273561232 /nfs/dbraw/zinc/56/12/32/273561232.db2.gz RKCZEEIUBAGXBK-ZDUSSCGKSA-N 2 1 291.443 2.196 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)C2 ZINC000414183227 274154043 /nfs/dbraw/zinc/15/40/43/274154043.db2.gz NCNNHPHHRGRZOU-XNRPHZJLSA-N 2 1 274.408 2.092 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C2 ZINC000414183227 274154046 /nfs/dbraw/zinc/15/40/46/274154046.db2.gz NCNNHPHHRGRZOU-XNRPHZJLSA-N 2 1 274.408 2.092 20 0 CEADMP C(CN1CCC[N@H+](C2CCCC2)CC1)C[NH+]1CCCC1 ZINC000179249529 275390887 /nfs/dbraw/zinc/39/08/87/275390887.db2.gz GQRWIXGPMRFIBZ-UHFFFAOYSA-N 2 1 279.472 2.423 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000353139875 276009140 /nfs/dbraw/zinc/00/91/40/276009140.db2.gz OTLGHPIFUPKDSC-IIAWOOMASA-N 2 1 265.445 2.076 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000353139875 276009142 /nfs/dbraw/zinc/00/91/42/276009142.db2.gz OTLGHPIFUPKDSC-IIAWOOMASA-N 2 1 265.445 2.076 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000353139875 276009143 /nfs/dbraw/zinc/00/91/43/276009143.db2.gz OTLGHPIFUPKDSC-IIAWOOMASA-N 2 1 265.445 2.076 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000353139875 276009145 /nfs/dbraw/zinc/00/91/45/276009145.db2.gz OTLGHPIFUPKDSC-IIAWOOMASA-N 2 1 265.445 2.076 20 0 CEADMP CCC[NH2+]CCN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414872853 276017545 /nfs/dbraw/zinc/01/75/45/276017545.db2.gz QJTZNUPDQCSLDC-NVXWUHKLSA-N 2 1 275.440 2.411 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCSC2)[C@@H](C)C1 ZINC000348246104 276229667 /nfs/dbraw/zinc/22/96/67/276229667.db2.gz RLWMWYVYVJEINB-MJBXVCDLSA-N 2 1 256.459 2.450 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000191456481 276324475 /nfs/dbraw/zinc/32/44/75/276324475.db2.gz NSUXYSBEWNIXBK-AWEZNQCLSA-N 2 1 264.417 2.321 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000191456481 276324477 /nfs/dbraw/zinc/32/44/77/276324477.db2.gz NSUXYSBEWNIXBK-AWEZNQCLSA-N 2 1 264.417 2.321 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CC(C)C)CC1 ZINC000362735609 276361024 /nfs/dbraw/zinc/36/10/24/276361024.db2.gz LAZSTGFAQFSQDP-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000362735609 276361025 /nfs/dbraw/zinc/36/10/25/276361025.db2.gz LAZSTGFAQFSQDP-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000362735609 276361026 /nfs/dbraw/zinc/36/10/26/276361026.db2.gz LAZSTGFAQFSQDP-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000359209777 276394083 /nfs/dbraw/zinc/39/40/83/276394083.db2.gz LGRINMLRSXYYDG-GOEBONIOSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000359209777 276394084 /nfs/dbraw/zinc/39/40/84/276394084.db2.gz LGRINMLRSXYYDG-GOEBONIOSA-N 3 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000359209777 276394086 /nfs/dbraw/zinc/39/40/86/276394086.db2.gz LGRINMLRSXYYDG-GOEBONIOSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000359209777 276394087 /nfs/dbraw/zinc/39/40/87/276394087.db2.gz LGRINMLRSXYYDG-GOEBONIOSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000359209777 276394089 /nfs/dbraw/zinc/39/40/89/276394089.db2.gz LGRINMLRSXYYDG-GOEBONIOSA-N 2 1 267.461 2.038 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000282209140 277023477 /nfs/dbraw/zinc/02/34/77/277023477.db2.gz HIGKLWQHGSWQTM-CQSZACIVSA-N 2 1 281.403 2.487 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000163011900 277077955 /nfs/dbraw/zinc/07/79/55/277077955.db2.gz UADVTAZYMPMZJC-LSDHHAIUSA-N 2 1 262.401 2.421 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000163011900 277077956 /nfs/dbraw/zinc/07/79/56/277077956.db2.gz UADVTAZYMPMZJC-LSDHHAIUSA-N 2 1 262.401 2.421 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000163011900 277077957 /nfs/dbraw/zinc/07/79/57/277077957.db2.gz UADVTAZYMPMZJC-LSDHHAIUSA-N 2 1 262.401 2.421 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000163011900 277077958 /nfs/dbraw/zinc/07/79/58/277077958.db2.gz UADVTAZYMPMZJC-LSDHHAIUSA-N 2 1 262.401 2.421 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)[C@H]2CCC[C@@H]21 ZINC000353505808 277173323 /nfs/dbraw/zinc/17/33/23/277173323.db2.gz WFHVLEXVEXSCLE-RSJGLCBASA-N 2 1 286.419 2.107 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000347153263 277275693 /nfs/dbraw/zinc/27/56/93/277275693.db2.gz CAONFQFGQFPLBW-LBPRGKRZSA-N 2 1 264.417 2.139 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000347153263 277275695 /nfs/dbraw/zinc/27/56/95/277275695.db2.gz CAONFQFGQFPLBW-LBPRGKRZSA-N 2 1 264.417 2.139 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC000414834646 277282483 /nfs/dbraw/zinc/28/24/83/277282483.db2.gz HIYAGWJVJSVIMX-NSHDSACASA-N 2 1 266.433 2.200 20 0 CEADMP CO[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC[C@H]1C ZINC000342743051 277299417 /nfs/dbraw/zinc/29/94/17/277299417.db2.gz XOQZDURGOXJDCD-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CC[C@H]1C ZINC000342743051 277299418 /nfs/dbraw/zinc/29/94/18/277299418.db2.gz XOQZDURGOXJDCD-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CC[C@H]1C ZINC000342743051 277299420 /nfs/dbraw/zinc/29/94/20/277299420.db2.gz XOQZDURGOXJDCD-RBSFLKMASA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)C[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336793482 277377429 /nfs/dbraw/zinc/37/74/29/277377429.db2.gz WWUSBSSPDWQYFB-HNNXBMFYSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)C[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336793482 277377431 /nfs/dbraw/zinc/37/74/31/277377431.db2.gz WWUSBSSPDWQYFB-HNNXBMFYSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H](O)C(F)F)CC1 ZINC000358646733 277681153 /nfs/dbraw/zinc/68/11/53/277681153.db2.gz DKXCMWCULQOCRC-KWCYVHTRSA-N 2 1 290.398 2.245 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCOc3cccc(F)c3C2)CC[NH2+]1 ZINC000334817464 278011747 /nfs/dbraw/zinc/01/17/47/278011747.db2.gz FATYVTDJEGWDRF-CHWSQXEVSA-N 2 1 278.371 2.408 20 0 CEADMP CC(C)c1cc(N2CCC[C@@H]([NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000360984535 278018635 /nfs/dbraw/zinc/01/86/35/278018635.db2.gz RKCZEEIUBAGXBK-CYBMUJFWSA-N 2 1 291.443 2.196 20 0 CEADMP COc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](C)CC1)C2 ZINC000192438136 278031865 /nfs/dbraw/zinc/03/18/65/278031865.db2.gz HIBPAHSDQSASOU-OAHLLOKOSA-N 2 1 274.408 2.236 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCO[C@@H]2CCCC[C@H]2C)C1 ZINC000351861378 278228617 /nfs/dbraw/zinc/22/86/17/278228617.db2.gz LAWZZGAWWIRVRS-LXTVHRRPSA-N 2 1 254.418 2.251 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](O)c1ccccc1 ZINC000297363762 278335141 /nfs/dbraw/zinc/33/51/41/278335141.db2.gz GYMKTGOZMXMJHE-DYVFJYSZSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000358254442 278352889 /nfs/dbraw/zinc/35/28/89/278352889.db2.gz PPDHKXOYKUWRHC-LJBIOTSSSA-N 2 1 292.467 2.248 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000358254442 278352891 /nfs/dbraw/zinc/35/28/91/278352891.db2.gz PPDHKXOYKUWRHC-LJBIOTSSSA-N 2 1 292.467 2.248 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)C1C[NH2+]C1 ZINC000335022306 278385747 /nfs/dbraw/zinc/38/57/47/278385747.db2.gz DBHFBBBDBGSWSA-RNCFNFMXSA-N 2 1 266.772 2.361 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000358298859 288104625 /nfs/dbraw/zinc/10/46/25/288104625.db2.gz MGLRSMIDHKAHAO-WCVJEAGWSA-N 2 1 296.455 2.033 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCN(C)c1ccccc1 ZINC000125879986 288106450 /nfs/dbraw/zinc/10/64/50/288106450.db2.gz VVDBXVZFJRONMA-BFYDXBDKSA-N 2 1 275.440 2.441 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000178255105 288102119 /nfs/dbraw/zinc/10/21/19/288102119.db2.gz BBDAEOBQUDTNKI-JKIFEVAISA-N 2 1 279.472 2.179 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCCCC[NH+]1CCCC1 ZINC000357129518 279266886 /nfs/dbraw/zinc/26/68/86/279266886.db2.gz WSFCRZIFAOBEOR-MRXNPFEDSA-N 2 1 295.471 2.243 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000335497665 279298440 /nfs/dbraw/zinc/29/84/40/279298440.db2.gz WILQCQDXJMVHSY-PELKAZGASA-N 2 1 269.186 2.373 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246549472 279396035 /nfs/dbraw/zinc/39/60/35/279396035.db2.gz QVNVLKKSRWPERT-STQMWFEESA-N 2 1 254.418 2.264 20 0 CEADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCS1 ZINC000128076385 280158388 /nfs/dbraw/zinc/15/83/88/280158388.db2.gz BOPYRIMCXMKTKZ-MGPQQGTHSA-N 2 1 254.443 2.489 20 0 CEADMP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CC(C)C ZINC000246933156 280314454 /nfs/dbraw/zinc/31/44/54/280314454.db2.gz HGYBCBWOHPAUQX-KKUMJFAQSA-N 2 1 299.459 2.220 20 0 CEADMP C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)[C@H]1CCCO1 ZINC000249289862 280391424 /nfs/dbraw/zinc/39/14/24/280391424.db2.gz MDZSBZFXJZOOIO-JKSUJKDBSA-N 2 1 266.429 2.363 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(O)c1 ZINC000249398531 280395868 /nfs/dbraw/zinc/39/58/68/280395868.db2.gz CAQLIPGBMGZOQC-ZBFHGGJFSA-N 2 1 292.423 2.280 20 0 CEADMP Cn1c2cc(F)ccc2[nH+]c1NC1CCC([NH+](C)C)CC1 ZINC000420625604 280815160 /nfs/dbraw/zinc/81/51/60/280815160.db2.gz KVBCZNSTEFZPQN-UHFFFAOYSA-N 2 1 290.386 2.419 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422838828 280932529 /nfs/dbraw/zinc/93/25/29/280932529.db2.gz YGHIXRROMOVBCU-GJZGRUSLSA-N 2 1 286.423 2.341 20 0 CEADMP CCn1cc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000422913560 280962255 /nfs/dbraw/zinc/96/22/55/280962255.db2.gz QFJFYLFLSKOBHX-DZGCQCFKSA-N 2 1 264.417 2.303 20 0 CEADMP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000422918887 280965113 /nfs/dbraw/zinc/96/51/13/280965113.db2.gz IRAQARCEHUWWGE-VFSICIBPSA-N 2 1 278.371 2.386 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@@H](C)c2c[nH+]ccc2N)n1 ZINC000422932653 280972130 /nfs/dbraw/zinc/97/21/30/280972130.db2.gz GGVZYSPPPOMEFK-NSHDSACASA-N 2 1 289.383 2.284 20 0 CEADMP C[C@H]([NH2+]CCOc1cccc(F)c1)c1c[nH+]ccc1N ZINC000422946032 280975259 /nfs/dbraw/zinc/97/52/59/280975259.db2.gz ODDWDRVXDQPEDC-NSHDSACASA-N 2 1 275.327 2.363 20 0 CEADMP C(=C/c1ccccc1)\C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000422982668 280981808 /nfs/dbraw/zinc/98/18/08/280981808.db2.gz XLWPWFXRDHPQMW-RMFFPGPSSA-N 2 1 286.419 2.447 20 0 CEADMP CC[NH+](CC)CCOCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423031803 281002477 /nfs/dbraw/zinc/00/24/77/281002477.db2.gz DRUPRCYKLJKYPV-IAGOWNOFSA-N 3 1 291.439 2.079 20 0 CEADMP C[C@@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000423058974 281014195 /nfs/dbraw/zinc/01/41/95/281014195.db2.gz DOJMHMQPKBKDLB-QAPCUYQASA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2N(C)C1)[C@H]1CCCC[NH2+]1 ZINC000423061296 281015498 /nfs/dbraw/zinc/01/54/98/281015498.db2.gz QLZZXEBRFIYGCT-YQQAZPJKSA-N 2 1 287.451 2.415 20 0 CEADMP CC[C@H]([NH2+][C@H](CO)Cc1cccc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000423061673 281016262 /nfs/dbraw/zinc/01/62/62/281016262.db2.gz REPKDVNZABHDMA-ULQDDVLXSA-N 2 1 276.424 2.019 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000423061685 281016359 /nfs/dbraw/zinc/01/63/59/281016359.db2.gz RFMVLOHVFJTCGJ-DZKIICNBSA-N 2 1 273.424 2.025 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1Cc2ccccc2N(C)C1)[C@@H]1CCC[NH2+]1 ZINC000423061686 281016431 /nfs/dbraw/zinc/01/64/31/281016431.db2.gz RFMVLOHVFJTCGJ-FMKPAKJESA-N 2 1 273.424 2.025 20 0 CEADMP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)[N@H+]1CCCC[C@H]1C ZINC000423329623 281022915 /nfs/dbraw/zinc/02/29/15/281022915.db2.gz MYRNPVCYGBKJBY-ILXRZTDVSA-N 2 1 295.471 2.144 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000423401544 281028116 /nfs/dbraw/zinc/02/81/16/281028116.db2.gz QZSXVSPPBIUELL-JFGNBEQYSA-N 2 1 282.409 2.183 20 0 CEADMP CCCOc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423426386 281038673 /nfs/dbraw/zinc/03/86/73/281038673.db2.gz HSYFZCDGAHXXLT-DANNLKNASA-N 2 1 260.381 2.344 20 0 CEADMP COCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1OC ZINC000423437593 281041846 /nfs/dbraw/zinc/04/18/46/281041846.db2.gz GIHNNZKIUVFRJZ-XQQFMLRXSA-N 2 1 296.411 2.107 20 0 CEADMP CCc1nc2c(s1)[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])CCC2 ZINC000423440309 281043646 /nfs/dbraw/zinc/04/36/46/281043646.db2.gz IMRBPROQGNESJL-OPRDCNLKSA-N 2 1 253.415 2.408 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000423477730 281053103 /nfs/dbraw/zinc/05/31/03/281053103.db2.gz UBZCLFJKDIYXOY-KGLIPLIRSA-N 2 1 264.369 2.251 20 0 CEADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(Cl)c1 ZINC000423511901 281056970 /nfs/dbraw/zinc/05/69/70/281056970.db2.gz KLQISCIUXCZMPH-SMDDNHRTSA-N 2 1 268.788 2.369 20 0 CEADMP CCc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423516052 281060570 /nfs/dbraw/zinc/06/05/70/281060570.db2.gz NISIFQKHPRKQME-CZUORRHYSA-N 2 1 262.397 2.278 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000423528070 281062325 /nfs/dbraw/zinc/06/23/25/281062325.db2.gz NQCINKDNAYZVDF-GFCCVEGCSA-N 2 1 250.390 2.257 20 0 CEADMP CCCCc1noc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)n1 ZINC000424300529 281143859 /nfs/dbraw/zinc/14/38/59/281143859.db2.gz WPDWHOXIBYBJIQ-CYBMUJFWSA-N 2 1 292.427 2.376 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1O ZINC000424379929 281154236 /nfs/dbraw/zinc/15/42/36/281154236.db2.gz WDZUKSGDLHTHTK-CYZMBNFOSA-N 2 1 264.369 2.321 20 0 CEADMP CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1OC ZINC000424383756 281155456 /nfs/dbraw/zinc/15/54/56/281155456.db2.gz UMCZSHRVTKHVSQ-ZIAGYGMSSA-N 2 1 278.396 2.453 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000424418004 281157046 /nfs/dbraw/zinc/15/70/46/281157046.db2.gz AOJSCJJIXPUEAV-ZDUSSCGKSA-N 2 1 292.427 2.304 20 0 CEADMP C[N@@H+](CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])C1CCCC1 ZINC000430708325 281274800 /nfs/dbraw/zinc/27/48/00/281274800.db2.gz ITWHIMJLWZAARO-JKSUJKDBSA-N 2 1 295.471 2.275 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000430810985 281277999 /nfs/dbraw/zinc/27/79/99/281277999.db2.gz XLMNXASWVXYGTL-GJZGRUSLSA-N 2 1 283.460 2.132 20 0 CEADMP C[NH2+]C1CC[NH+](CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000430933548 281282519 /nfs/dbraw/zinc/28/25/19/281282519.db2.gz IQEISVQRNLEITA-UHFFFAOYSA-N 2 1 293.386 2.147 20 0 CEADMP CC[C@](C)(O)C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000372553906 281291145 /nfs/dbraw/zinc/29/11/45/281291145.db2.gz NYRDZQKKWSVQQP-CVEARBPZSA-N 2 1 268.445 2.345 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](c2ccccc2)C1)C1CC1 ZINC000433044428 281361900 /nfs/dbraw/zinc/36/19/00/281361900.db2.gz MYBMCRSFOUIQNF-WMZOPIPTSA-N 2 1 288.435 2.321 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](c2ccccc2)C1)C1CC1 ZINC000433044428 281361904 /nfs/dbraw/zinc/36/19/04/281361904.db2.gz MYBMCRSFOUIQNF-WMZOPIPTSA-N 2 1 288.435 2.321 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](c2ccccc2)C1)C1CC1 ZINC000433044428 281361907 /nfs/dbraw/zinc/36/19/07/281361907.db2.gz MYBMCRSFOUIQNF-WMZOPIPTSA-N 2 1 288.435 2.321 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](c2ccccc2)C1)C1CC1 ZINC000433044428 281361909 /nfs/dbraw/zinc/36/19/09/281361909.db2.gz MYBMCRSFOUIQNF-WMZOPIPTSA-N 2 1 288.435 2.321 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000435871833 281399565 /nfs/dbraw/zinc/39/95/65/281399565.db2.gz LYARVBPXJZXJFE-AWEZNQCLSA-N 2 1 278.396 2.450 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000435871833 281399566 /nfs/dbraw/zinc/39/95/66/281399566.db2.gz LYARVBPXJZXJFE-AWEZNQCLSA-N 2 1 278.396 2.450 20 0 CEADMP COc1ccc(OCC[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000152916235 289101108 /nfs/dbraw/zinc/10/11/08/289101108.db2.gz UBFHQMJYXLQZAH-UHFFFAOYSA-N 2 1 292.423 2.492 20 0 CEADMP COc1ccc(OCC[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000152916235 289101111 /nfs/dbraw/zinc/10/11/11/289101111.db2.gz UBFHQMJYXLQZAH-UHFFFAOYSA-N 2 1 292.423 2.492 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN(C)C(=O)OC(C)(C)C ZINC000158654637 289237949 /nfs/dbraw/zinc/23/79/49/289237949.db2.gz VRDSVBKGHNXIRF-MCIONIFRSA-N 2 1 299.459 2.172 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000314478249 289283471 /nfs/dbraw/zinc/28/34/71/289283471.db2.gz BUSDHWJEEDIXEC-BBWFWOEESA-N 2 1 291.439 2.368 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000314478249 289283475 /nfs/dbraw/zinc/28/34/75/289283475.db2.gz BUSDHWJEEDIXEC-BBWFWOEESA-N 2 1 291.439 2.368 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCC(F)(F)F ZINC000371291964 289334066 /nfs/dbraw/zinc/33/40/66/289334066.db2.gz AJRSOGXGZVOOGL-WOPDTQHZSA-N 2 1 280.334 2.122 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCC(F)(F)F ZINC000371291964 289334068 /nfs/dbraw/zinc/33/40/68/289334068.db2.gz AJRSOGXGZVOOGL-WOPDTQHZSA-N 2 1 280.334 2.122 20 0 CEADMP C[NH+]1CCC([NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000364796522 289887061 /nfs/dbraw/zinc/88/70/61/289887061.db2.gz HGKCRWBUAIVFDW-UHFFFAOYSA-N 2 1 252.402 2.162 20 0 CEADMP c1[nH]nc2cc(CC[NH2+]C3CC[NH+](C4CC4)CC3)ccc12 ZINC000459525512 290171007 /nfs/dbraw/zinc/17/10/07/290171007.db2.gz NWBZJNZOPWXDGL-UHFFFAOYSA-N 2 1 284.407 2.322 20 0 CEADMP COC(=O)c1cccc2c1CC[N@@H+](CCCn1ccnc1)C2 ZINC000459548721 290175505 /nfs/dbraw/zinc/17/55/05/290175505.db2.gz QOSNIANZSIGYLE-UHFFFAOYSA-N 2 1 299.374 2.118 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cn3ccccc3n2)C1 ZINC000459732050 290220077 /nfs/dbraw/zinc/22/00/77/290220077.db2.gz LZESDDOXBXNWQG-AWEZNQCLSA-N 2 1 272.396 2.156 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)[C@H]2CCC[C@@H]21 ZINC000353616085 290223969 /nfs/dbraw/zinc/22/39/69/290223969.db2.gz YPTKPTIZKBURIR-KBXIAJHMSA-N 2 1 266.429 2.406 20 0 CEADMP CO[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000459753148 290227567 /nfs/dbraw/zinc/22/75/67/290227567.db2.gz KKDDRLVEIIZUJN-PQEBFOHHSA-N 2 1 296.455 2.033 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+]CCc2c[nH+]cn2C)C1(C)C ZINC000471769841 290282220 /nfs/dbraw/zinc/28/22/20/290282220.db2.gz NFGCUJMOTZMGCW-KGLIPLIRSA-N 2 1 265.401 2.144 20 0 CEADMP CC(C)[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000484816669 290316576 /nfs/dbraw/zinc/31/65/76/290316576.db2.gz DEMQZFUIKJFNNO-KBUPBQIOSA-N 2 1 254.418 2.025 20 0 CEADMP C(=C\c1ccncc1)\C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000486956792 290323987 /nfs/dbraw/zinc/32/39/87/290323987.db2.gz OSPXBFGMRMBMBO-DJYNDVHFSA-N 2 1 257.381 2.169 20 0 CEADMP CCc1cc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)nc(C)n1 ZINC000487055725 290329574 /nfs/dbraw/zinc/32/95/74/290329574.db2.gz BJSMFPHXKNNKJU-CQSZACIVSA-N 2 1 262.401 2.124 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@H]1CCCOC1 ZINC000230002991 295229909 /nfs/dbraw/zinc/22/99/09/295229909.db2.gz GQDDFCOZAVINIK-MRXNPFEDSA-N 2 1 262.397 2.264 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000357078890 295234848 /nfs/dbraw/zinc/23/48/48/295234848.db2.gz KLQLFBCIFKORSN-GOSISDBHSA-N 2 1 288.435 2.332 20 0 CEADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000515196938 297566711 /nfs/dbraw/zinc/56/67/11/297566711.db2.gz FQVORACTYILFKT-CJNGLKHVSA-N 2 1 273.380 2.328 20 0 CEADMP C[C@@H]1CCCC[C@H]1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000518396403 297629520 /nfs/dbraw/zinc/62/95/20/297629520.db2.gz DMQLCAAZSIOYCC-CABCVRRESA-N 2 1 268.445 2.249 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1(C)COc2ccccc2O1)c1c[nH+]ccc1N ZINC000530206546 298048780 /nfs/dbraw/zinc/04/87/80/298048780.db2.gz ALTQRTSLQWJGOH-PXAZEXFGSA-N 2 1 299.374 2.375 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000530212054 298051023 /nfs/dbraw/zinc/05/10/23/298051023.db2.gz ODSLJSISOAYWNS-WOPDTQHZSA-N 2 1 290.333 2.236 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000530214879 298052035 /nfs/dbraw/zinc/05/20/35/298052035.db2.gz YRTGSGKEDYABFP-UKPHBRMFSA-N 2 1 294.414 2.442 20 0 CEADMP CCC[N@H+](Cc1cc(CO)ccc1F)C1CC[NH2+]CC1 ZINC000530218528 298053646 /nfs/dbraw/zinc/05/36/46/298053646.db2.gz WOOLQJAUOYUVEV-UHFFFAOYSA-N 2 1 280.387 2.282 20 0 CEADMP CCC[N@@H+](Cc1cc(CO)ccc1F)C1CC[NH2+]CC1 ZINC000530218528 298053650 /nfs/dbraw/zinc/05/36/50/298053650.db2.gz WOOLQJAUOYUVEV-UHFFFAOYSA-N 2 1 280.387 2.282 20 0 CEADMP OCc1ccc(F)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000530220187 298055305 /nfs/dbraw/zinc/05/53/05/298055305.db2.gz JKGDXBWHVWGYBB-PBHICJAKSA-N 2 1 292.398 2.282 20 0 CEADMP OCc1ccc(F)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000530220187 298055307 /nfs/dbraw/zinc/05/53/07/298055307.db2.gz JKGDXBWHVWGYBB-PBHICJAKSA-N 2 1 292.398 2.282 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000530222221 298056353 /nfs/dbraw/zinc/05/63/53/298056353.db2.gz RAUQGJZMRPPFDX-JGGQBBKZSA-N 2 1 280.387 2.052 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2c(c1)COC2 ZINC000530513313 298075778 /nfs/dbraw/zinc/07/57/78/298075778.db2.gz FYCDTCCCYYIERR-GFCCVEGCSA-N 2 1 271.364 2.344 20 0 CEADMP CC(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)[NH+](C)C ZINC000531773520 298120365 /nfs/dbraw/zinc/12/03/65/298120365.db2.gz QTDZNYAIICBGFI-INIZCTEOSA-N 2 1 297.487 2.151 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cscn1 ZINC000535063600 298182855 /nfs/dbraw/zinc/18/28/55/298182855.db2.gz BPSOTWWCXDPTSN-OLZOCXBDSA-N 2 1 283.441 2.031 20 0 CEADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCc1c[nH+]cn1C ZINC000546689144 298358047 /nfs/dbraw/zinc/35/80/47/298358047.db2.gz UTOCZYWSEOZDCA-HNNXBMFYSA-N 2 1 289.354 2.387 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000565843124 298926439 /nfs/dbraw/zinc/92/64/39/298926439.db2.gz YGHPNJPATRBSDL-VXGBXAGGSA-N 2 1 273.327 2.103 20 0 CEADMP C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1 ZINC000566561861 299002653 /nfs/dbraw/zinc/00/26/53/299002653.db2.gz TXSAUSTVMSRYBW-YUELXQCFSA-N 2 1 262.372 2.471 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2ccccc2)C1 ZINC000566687559 299015611 /nfs/dbraw/zinc/01/56/11/299015611.db2.gz NOXSNOJHGXVCBC-IRXDYDNUSA-N 2 1 276.424 2.179 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000566687559 299015615 /nfs/dbraw/zinc/01/56/15/299015615.db2.gz NOXSNOJHGXVCBC-IRXDYDNUSA-N 2 1 276.424 2.179 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000566687559 299015618 /nfs/dbraw/zinc/01/56/18/299015618.db2.gz NOXSNOJHGXVCBC-IRXDYDNUSA-N 2 1 276.424 2.179 20 0 CEADMP Cc1ccc2ncc(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)n2c1 ZINC000515556271 313071736 /nfs/dbraw/zinc/07/17/36/313071736.db2.gz IWRXAISBBMSNBW-HNNXBMFYSA-N 2 1 286.423 2.463 20 0 CEADMP Cc1ccc2ncc(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)n2c1 ZINC000515556271 313071741 /nfs/dbraw/zinc/07/17/41/313071741.db2.gz IWRXAISBBMSNBW-HNNXBMFYSA-N 2 1 286.423 2.463 20 0 CEADMP Cc1nnsc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000516972707 313099891 /nfs/dbraw/zinc/09/98/91/313099891.db2.gz HIVZUHQYNAJTTJ-UHFFFAOYSA-N 2 1 282.457 2.399 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CCC(C)C)CC1 ZINC000517168261 313105074 /nfs/dbraw/zinc/10/50/74/313105074.db2.gz WORYUVOLVPEIHJ-MRXNPFEDSA-N 2 1 270.461 2.447 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000518471453 313114831 /nfs/dbraw/zinc/11/48/31/313114831.db2.gz BOWLGBQGKNTBBK-RDJZCZTQSA-N 2 1 292.423 2.145 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000518471453 313114834 /nfs/dbraw/zinc/11/48/34/313114834.db2.gz BOWLGBQGKNTBBK-RDJZCZTQSA-N 2 1 292.423 2.145 20 0 CEADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)OC)c1 ZINC000527918778 313214690 /nfs/dbraw/zinc/21/46/90/313214690.db2.gz HLLFUGRWISNLKJ-XYPHTWIQSA-N 2 1 292.423 2.313 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000535811961 313399858 /nfs/dbraw/zinc/39/98/58/313399858.db2.gz JMNMUKXRXKFJNO-UHFFFAOYSA-N 2 1 280.412 2.324 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000572234326 314125515 /nfs/dbraw/zinc/12/55/15/314125515.db2.gz SIICSPPTZOXKKZ-RYUDHWBXSA-N 2 1 266.360 2.312 20 0 CEADMP Cc1cccc(CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)n1 ZINC000572636021 314133863 /nfs/dbraw/zinc/13/38/63/314133863.db2.gz REJNWABRXCPLKP-SJPCQFCGSA-N 2 1 273.424 2.490 20 0 CEADMP Cc1cccc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000572636021 314133865 /nfs/dbraw/zinc/13/38/65/314133865.db2.gz REJNWABRXCPLKP-SJPCQFCGSA-N 2 1 273.424 2.490 20 0 CEADMP Cc1cccc(CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000572636021 314133869 /nfs/dbraw/zinc/13/38/69/314133869.db2.gz REJNWABRXCPLKP-SJPCQFCGSA-N 2 1 273.424 2.490 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000573383471 314155175 /nfs/dbraw/zinc/15/51/75/314155175.db2.gz YRIXERDYDUATHZ-ZDUSSCGKSA-N 2 1 265.401 2.288 20 0 CEADMP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1c(C)noc1C ZINC000573426555 314156864 /nfs/dbraw/zinc/15/68/64/314156864.db2.gz SSPCFJLACXYKBO-CHWSQXEVSA-N 2 1 251.374 2.474 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000575931947 314226641 /nfs/dbraw/zinc/22/66/41/314226641.db2.gz ULIOXPUKNPCOEY-YESZJQIVSA-N 2 1 276.424 2.225 20 0 CEADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000576271824 314258611 /nfs/dbraw/zinc/25/86/11/314258611.db2.gz KNMFXORNZYJTLK-RHSMWYFYSA-N 2 1 274.408 2.027 20 0 CEADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000576271824 314258612 /nfs/dbraw/zinc/25/86/12/314258612.db2.gz KNMFXORNZYJTLK-RHSMWYFYSA-N 2 1 274.408 2.027 20 0 CEADMP Fc1ccc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000576280098 314259632 /nfs/dbraw/zinc/25/96/32/314259632.db2.gz RVLXUHTWZGCKEL-MRXNPFEDSA-N 2 1 278.371 2.280 20 0 CEADMP Fc1ccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000576280098 314259633 /nfs/dbraw/zinc/25/96/33/314259633.db2.gz RVLXUHTWZGCKEL-MRXNPFEDSA-N 2 1 278.371 2.280 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OC ZINC000576526983 314284417 /nfs/dbraw/zinc/28/44/17/314284417.db2.gz MFWXQURDMLFUDU-OCCSQVGLSA-N 2 1 278.396 2.406 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OC ZINC000576526983 314284420 /nfs/dbraw/zinc/28/44/20/314284420.db2.gz MFWXQURDMLFUDU-OCCSQVGLSA-N 2 1 278.396 2.406 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000576647149 314297951 /nfs/dbraw/zinc/29/79/51/314297951.db2.gz BCVINDHYYHKCSU-NCOADZHNSA-N 2 1 273.424 2.291 20 0 CEADMP CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000576647149 314297953 /nfs/dbraw/zinc/29/79/53/314297953.db2.gz BCVINDHYYHKCSU-NCOADZHNSA-N 2 1 273.424 2.291 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000576695417 314301942 /nfs/dbraw/zinc/30/19/42/314301942.db2.gz OSDGKMIZQSUWAJ-YJBOKZPZSA-N 2 1 289.467 2.266 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000576866641 314317729 /nfs/dbraw/zinc/31/77/29/314317729.db2.gz FMWQVXGKELGKAP-QJPTWQEYSA-N 2 1 282.350 2.415 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000576866641 314317733 /nfs/dbraw/zinc/31/77/33/314317733.db2.gz FMWQVXGKELGKAP-QJPTWQEYSA-N 2 1 282.350 2.415 20 0 CEADMP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CCCC2(F)F)CC1 ZINC000576885845 314320388 /nfs/dbraw/zinc/32/03/88/314320388.db2.gz RBFLEEWJPDKRBL-CYBMUJFWSA-N 2 1 290.398 2.247 20 0 CEADMP COC1CCC([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000183134074 321710203 /nfs/dbraw/zinc/71/02/03/321710203.db2.gz NIEOEGXSPTWFIT-LRVUVFPRSA-N 2 1 265.401 2.375 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1scnc1C1CC1 ZINC000580341925 322312509 /nfs/dbraw/zinc/31/25/09/322312509.db2.gz NPGCBGHYKUVFSS-KOLCDFICSA-N 2 1 251.399 2.332 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1scnc1C1CC1 ZINC000580341925 322312511 /nfs/dbraw/zinc/31/25/11/322312511.db2.gz NPGCBGHYKUVFSS-KOLCDFICSA-N 2 1 251.399 2.332 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C[C@H](C)O1 ZINC000580401516 322314970 /nfs/dbraw/zinc/31/49/70/322314970.db2.gz HTKLZHNEZBFLGN-XUWVNRHRSA-N 2 1 284.444 2.033 20 0 CEADMP CN(Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000580439689 322318205 /nfs/dbraw/zinc/31/82/05/322318205.db2.gz NQAGKVHADHPYHP-GOSISDBHSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCN(C2CC2)C1 ZINC000580439689 322318206 /nfs/dbraw/zinc/31/82/06/322318206.db2.gz NQAGKVHADHPYHP-GOSISDBHSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCN(C2CC2)C1 ZINC000580439689 322318207 /nfs/dbraw/zinc/31/82/07/322318207.db2.gz NQAGKVHADHPYHP-GOSISDBHSA-N 2 1 285.435 2.001 20 0 CEADMP CCc1nc(C)c([C@@H](C)N(C)C[C@@H](O)C[N@H+](C)CC)s1 ZINC000580990381 322359879 /nfs/dbraw/zinc/35/98/79/322359879.db2.gz VSYNFCQLCCCMRV-OLZOCXBDSA-N 2 1 299.484 2.319 20 0 CEADMP CCCCC[N@@H+](CCO)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000581076786 322367896 /nfs/dbraw/zinc/36/78/96/322367896.db2.gz KSERANCFNORYET-UHFFFAOYSA-N 2 1 276.424 2.317 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000581141332 322373061 /nfs/dbraw/zinc/37/30/61/322373061.db2.gz YYWLMPCNGKMEEW-IRXDYDNUSA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000581141332 322373066 /nfs/dbraw/zinc/37/30/66/322373066.db2.gz YYWLMPCNGKMEEW-IRXDYDNUSA-N 2 1 276.424 2.097 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000581141332 322373068 /nfs/dbraw/zinc/37/30/68/322373068.db2.gz YYWLMPCNGKMEEW-IRXDYDNUSA-N 2 1 276.424 2.097 20 0 CEADMP C[C@@H]1CSCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000581140573 322373227 /nfs/dbraw/zinc/37/32/27/322373227.db2.gz OXYGEZBLGDAOLR-LBPRGKRZSA-N 2 1 253.415 2.038 20 0 CEADMP C[C@@H]1CSCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000581140573 322373228 /nfs/dbraw/zinc/37/32/28/322373228.db2.gz OXYGEZBLGDAOLR-LBPRGKRZSA-N 2 1 253.415 2.038 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000584242605 327125938 /nfs/dbraw/zinc/12/59/38/327125938.db2.gz ZYFNWRINBVDSTH-BZUAXINKSA-N 2 1 267.461 2.214 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000584242605 327125939 /nfs/dbraw/zinc/12/59/39/327125939.db2.gz ZYFNWRINBVDSTH-BZUAXINKSA-N 3 1 267.461 2.214 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000584242605 327125940 /nfs/dbraw/zinc/12/59/40/327125940.db2.gz ZYFNWRINBVDSTH-BZUAXINKSA-N 3 1 267.461 2.214 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN(Cc1ccc(F)cc1)CC1CC1 ZINC000584270362 327205260 /nfs/dbraw/zinc/20/52/60/327205260.db2.gz STPUPDFONMAYNN-KRWDZBQOSA-N 2 1 294.414 2.350 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000584270362 327205262 /nfs/dbraw/zinc/20/52/62/327205262.db2.gz STPUPDFONMAYNN-KRWDZBQOSA-N 2 1 294.414 2.350 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000584270362 327205264 /nfs/dbraw/zinc/20/52/64/327205264.db2.gz STPUPDFONMAYNN-KRWDZBQOSA-N 2 1 294.414 2.350 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(F)cc1)CC1CC1 ZINC000584270362 327205266 /nfs/dbraw/zinc/20/52/66/327205266.db2.gz STPUPDFONMAYNN-KRWDZBQOSA-N 2 1 294.414 2.350 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(F)cc1)CC1CC1 ZINC000584270362 327205268 /nfs/dbraw/zinc/20/52/68/327205268.db2.gz STPUPDFONMAYNN-KRWDZBQOSA-N 2 1 294.414 2.350 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000584270362 327205269 /nfs/dbraw/zinc/20/52/69/327205269.db2.gz STPUPDFONMAYNN-KRWDZBQOSA-N 2 1 294.414 2.350 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000584270362 327205271 /nfs/dbraw/zinc/20/52/71/327205271.db2.gz STPUPDFONMAYNN-KRWDZBQOSA-N 2 1 294.414 2.350 20 0 CEADMP Cc1ccc(C)c([C@H]2C[N@H+](CCOCC[NH3+])[C@H](C)CO2)c1 ZINC000357069152 533716951 /nfs/dbraw/zinc/71/69/51/533716951.db2.gz FPBNEFANWZEQGF-NVXWUHKLSA-N 2 1 292.423 2.041 20 0 CEADMP Cc1ccc(C)c([C@H]2C[N@@H+](CCOCC[NH3+])[C@H](C)CO2)c1 ZINC000357069152 533716959 /nfs/dbraw/zinc/71/69/59/533716959.db2.gz FPBNEFANWZEQGF-NVXWUHKLSA-N 2 1 292.423 2.041 20 0 CEADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000339071557 501084613 /nfs/dbraw/zinc/08/46/13/501084613.db2.gz SRZULIXEGKTANW-ZACQAIPSSA-N 2 1 274.408 2.327 20 0 CEADMP CC(C)CCOCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157345619 519666027 /nfs/dbraw/zinc/66/60/27/519666027.db2.gz SUCCXLTYDKLBAW-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CC(C)CCOCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157345619 519666029 /nfs/dbraw/zinc/66/60/29/519666029.db2.gz SUCCXLTYDKLBAW-MRXNPFEDSA-N 2 1 268.445 2.467 20 0 CEADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000365191841 519880654 /nfs/dbraw/zinc/88/06/54/519880654.db2.gz NMDCLMIEQBNUAU-HZSPNIEDSA-N 2 1 292.427 2.153 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000358088033 519902534 /nfs/dbraw/zinc/90/25/34/519902534.db2.gz ZDKNQOVTJSHZAL-STQMWFEESA-N 2 1 280.416 2.055 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000274672193 521356856 /nfs/dbraw/zinc/35/68/56/521356856.db2.gz YFRXQZVHYZUTQJ-QWHCGFSZSA-N 2 1 294.443 2.111 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000274672190 521356883 /nfs/dbraw/zinc/35/68/83/521356883.db2.gz YFRXQZVHYZUTQJ-CHWSQXEVSA-N 2 1 294.443 2.111 20 0 CEADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000155664626 521948327 /nfs/dbraw/zinc/94/83/27/521948327.db2.gz QFFOAALDXZUMOY-XGUBFFRZSA-N 2 1 297.487 2.233 20 0 CEADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cs1 ZINC000157093486 522282090 /nfs/dbraw/zinc/28/20/90/522282090.db2.gz DOBLKSBINFIGCB-WCQYABFASA-N 2 1 267.442 2.178 20 0 CEADMP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)sc1C ZINC000155694719 522284592 /nfs/dbraw/zinc/28/45/92/522284592.db2.gz QLUIWXSJHRQNMO-FZMZJTMJSA-N 2 1 281.469 2.486 20 0 CEADMP CCn1nc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c2ccccc21 ZINC000163905284 523674540 /nfs/dbraw/zinc/67/45/40/523674540.db2.gz HYMNYQQFDMPBPD-ZIAGYGMSSA-N 2 1 286.423 2.473 20 0 CEADMP CCn1nc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c2ccccc21 ZINC000163905284 523674548 /nfs/dbraw/zinc/67/45/48/523674548.db2.gz HYMNYQQFDMPBPD-ZIAGYGMSSA-N 2 1 286.423 2.473 20 0 CEADMP CC[C@H](C(=O)Nc1cccc2c1CC[N@@H+](CC)C2)[NH+](C)C ZINC000366342015 523804089 /nfs/dbraw/zinc/80/40/89/523804089.db2.gz ZISGQFLXOPGPIH-MRXNPFEDSA-N 2 1 289.423 2.343 20 0 CEADMP COc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000158023654 524070289 /nfs/dbraw/zinc/07/02/89/524070289.db2.gz NZUJACBCWFDZCX-AWEZNQCLSA-N 2 1 277.412 2.444 20 0 CEADMP COc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000158023654 524070292 /nfs/dbraw/zinc/07/02/92/524070292.db2.gz NZUJACBCWFDZCX-AWEZNQCLSA-N 2 1 277.412 2.444 20 0 CEADMP COc1ccncc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000340402420 524859644 /nfs/dbraw/zinc/85/96/44/524859644.db2.gz GABVZQVMVXQHAL-RRFJBIMHSA-N 2 1 275.396 2.053 20 0 CEADMP COc1ccncc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000340402420 524859654 /nfs/dbraw/zinc/85/96/54/524859654.db2.gz GABVZQVMVXQHAL-RRFJBIMHSA-N 2 1 275.396 2.053 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2(O)CCC2)C[C@H]1C ZINC000411115717 527832580 /nfs/dbraw/zinc/83/25/80/527832580.db2.gz FTEKFKXJBDFZJX-KGLIPLIRSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2(O)CCC2)C[C@H]1C ZINC000411115717 527832587 /nfs/dbraw/zinc/83/25/87/527832587.db2.gz FTEKFKXJBDFZJX-KGLIPLIRSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2(O)CCC2)C[C@H]1C ZINC000411115717 527832593 /nfs/dbraw/zinc/83/25/93/527832593.db2.gz FTEKFKXJBDFZJX-KGLIPLIRSA-N 2 1 254.418 2.096 20 0 CEADMP CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116397046 528052521 /nfs/dbraw/zinc/05/25/21/528052521.db2.gz CAFCZJNMXMKDMC-KGLIPLIRSA-N 2 1 285.476 2.103 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000357560677 528567622 /nfs/dbraw/zinc/56/76/22/528567622.db2.gz FLQNLTXLCJRRAQ-CQSZACIVSA-N 2 1 295.471 2.240 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2COC(C)(C)C2)[C@H](C)C1 ZINC000417922456 528670629 /nfs/dbraw/zinc/67/06/29/528670629.db2.gz TVZMGDRYNAMPGI-OAGGEKHMSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C(C)C ZINC000342094243 534947048 /nfs/dbraw/zinc/94/70/48/534947048.db2.gz FEYRWRXOCGFLII-UGUYLWEFSA-N 2 1 295.471 2.080 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)[C@H](C)C1 ZINC000483145140 538879848 /nfs/dbraw/zinc/87/98/48/538879848.db2.gz ODNOQZXLDFVVIG-UUAJXVIYSA-N 2 1 296.455 2.033 20 0 CEADMP CC[C@H](C)[C@H](C)[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729545575 574489276 /nfs/dbraw/zinc/48/92/76/574489276.db2.gz WCTLMVQJBHCTRO-OFQRWUPVSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000729545575 574489277 /nfs/dbraw/zinc/48/92/77/574489277.db2.gz WCTLMVQJBHCTRO-OFQRWUPVSA-N 2 1 268.445 2.342 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000731869551 574604470 /nfs/dbraw/zinc/60/44/70/574604470.db2.gz LMMLEVVLOGDLGB-INIZCTEOSA-N 2 1 297.487 2.489 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000731869551 574604472 /nfs/dbraw/zinc/60/44/72/574604472.db2.gz LMMLEVVLOGDLGB-INIZCTEOSA-N 2 1 297.487 2.489 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000731869551 574604473 /nfs/dbraw/zinc/60/44/73/574604473.db2.gz LMMLEVVLOGDLGB-INIZCTEOSA-N 2 1 297.487 2.489 20 0 CEADMP C[N@H+](C[C@@H](O)c1cc(F)ccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000741250766 574979560 /nfs/dbraw/zinc/97/95/60/574979560.db2.gz JKEQSKOFKOYZNY-MLGOLLRUSA-N 2 1 298.377 2.272 20 0 CEADMP C[N@@H+](C[C@@H](O)c1cc(F)ccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000741250766 574979563 /nfs/dbraw/zinc/97/95/63/574979563.db2.gz JKEQSKOFKOYZNY-MLGOLLRUSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@@H](O)c1cc(F)ccc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000741250766 574979565 /nfs/dbraw/zinc/97/95/65/574979565.db2.gz JKEQSKOFKOYZNY-MLGOLLRUSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@@H](O)c1cc(F)ccc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741250766 574979566 /nfs/dbraw/zinc/97/95/66/574979566.db2.gz JKEQSKOFKOYZNY-MLGOLLRUSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C)CCCCC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000741210799 574978763 /nfs/dbraw/zinc/97/87/63/574978763.db2.gz AGTYRWNWYXTXEL-UHFFFAOYSA-N 2 1 289.423 2.197 20 0 CEADMP C[NH+](C)CCCCC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000741210799 574978765 /nfs/dbraw/zinc/97/87/65/574978765.db2.gz AGTYRWNWYXTXEL-UHFFFAOYSA-N 2 1 289.423 2.197 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCCC[NH+]1CCCC1 ZINC000741705735 574994788 /nfs/dbraw/zinc/99/47/88/574994788.db2.gz SZGDDSFFVYDIBQ-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCCC[NH+]1CCCC1 ZINC000741705728 574994872 /nfs/dbraw/zinc/99/48/72/574994872.db2.gz SZGDDSFFVYDIBQ-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CC2(Cl)Cl)C1 ZINC000749198874 575208837 /nfs/dbraw/zinc/20/88/37/575208837.db2.gz SQKBWNAGEJEPAL-GHMZBOCLSA-N 2 1 265.228 2.454 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CC2(Cl)Cl)C1 ZINC000749198874 575208838 /nfs/dbraw/zinc/20/88/38/575208838.db2.gz SQKBWNAGEJEPAL-GHMZBOCLSA-N 2 1 265.228 2.454 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000749198874 575208839 /nfs/dbraw/zinc/20/88/39/575208839.db2.gz SQKBWNAGEJEPAL-GHMZBOCLSA-N 2 1 265.228 2.454 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000749198874 575208840 /nfs/dbraw/zinc/20/88/40/575208840.db2.gz SQKBWNAGEJEPAL-GHMZBOCLSA-N 2 1 265.228 2.454 20 0 CEADMP CC(C)C[N@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC000981369094 614088479 /nfs/dbraw/zinc/08/84/79/614088479.db2.gz APENHYAMEBELFZ-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000981369094 614088480 /nfs/dbraw/zinc/08/84/80/614088480.db2.gz APENHYAMEBELFZ-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000981369094 614088481 /nfs/dbraw/zinc/08/84/81/614088481.db2.gz APENHYAMEBELFZ-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC000960629455 614267298 /nfs/dbraw/zinc/26/72/98/614267298.db2.gz RDALICONYKQFEJ-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000960629455 614267299 /nfs/dbraw/zinc/26/72/99/614267299.db2.gz RDALICONYKQFEJ-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000960629455 614267300 /nfs/dbraw/zinc/26/73/00/614267300.db2.gz RDALICONYKQFEJ-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948767494 614347332 /nfs/dbraw/zinc/34/73/32/614347332.db2.gz XSTFEQDJKJLBIC-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000948767494 614347333 /nfs/dbraw/zinc/34/73/33/614347333.db2.gz XSTFEQDJKJLBIC-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000948767494 614347334 /nfs/dbraw/zinc/34/73/34/614347334.db2.gz XSTFEQDJKJLBIC-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707881 614367932 /nfs/dbraw/zinc/36/79/32/614367932.db2.gz MUMXUIGBJHYBQX-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948766754 614655078 /nfs/dbraw/zinc/65/50/78/614655078.db2.gz NLQBHEHMLIPUTM-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000948766754 614655079 /nfs/dbraw/zinc/65/50/79/614655079.db2.gz NLQBHEHMLIPUTM-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000948766754 614655081 /nfs/dbraw/zinc/65/50/81/614655081.db2.gz NLQBHEHMLIPUTM-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C1C[NH+](CC(C)C)C1 ZINC000957422408 614669513 /nfs/dbraw/zinc/66/95/13/614669513.db2.gz YHHUZOYSDOMSAN-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@H]1CCCC[N@H+]1CC)C1C[NH+](CC(C)C)C1 ZINC000957422408 614669516 /nfs/dbraw/zinc/66/95/16/614669516.db2.gz YHHUZOYSDOMSAN-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947614932 614745994 /nfs/dbraw/zinc/74/59/94/614745994.db2.gz BMQXRMVSNDTAEN-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000947851797 614748030 /nfs/dbraw/zinc/74/80/30/614748030.db2.gz AMXPBHYVPQUFQH-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000950469946 614964956 /nfs/dbraw/zinc/96/49/56/614964956.db2.gz UZBDPQVXVMVMOT-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000950469946 614964958 /nfs/dbraw/zinc/96/49/58/614964958.db2.gz UZBDPQVXVMVMOT-MRXNPFEDSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC)C1 ZINC000962517755 614980644 /nfs/dbraw/zinc/98/06/44/614980644.db2.gz GKJFTSGPQPCBCL-GPANFISMSA-N 2 1 295.471 2.145 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC)C1 ZINC000962517761 614981220 /nfs/dbraw/zinc/98/12/20/614981220.db2.gz GKJFTSGPQPCBCL-UYSNPLJNSA-N 2 1 295.471 2.145 20 0 CEADMP CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000963344865 615076671 /nfs/dbraw/zinc/07/66/71/615076671.db2.gz WNPWZHRVWHSAII-SSHXOBKSSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC ZINC000969156637 615108922 /nfs/dbraw/zinc/10/89/22/615108922.db2.gz YONCZAHLVFJPIM-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC ZINC000969156637 615108923 /nfs/dbraw/zinc/10/89/23/615108923.db2.gz YONCZAHLVFJPIM-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974681747 615352987 /nfs/dbraw/zinc/35/29/87/615352987.db2.gz LJMNDUAZLHFCBD-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974681747 615352990 /nfs/dbraw/zinc/35/29/90/615352990.db2.gz LJMNDUAZLHFCBD-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974681747 615352994 /nfs/dbraw/zinc/35/29/94/615352994.db2.gz LJMNDUAZLHFCBD-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000981323972 615438663 /nfs/dbraw/zinc/43/86/63/615438663.db2.gz CDNHXFHQQCVRID-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000246991320 622906021 /nfs/dbraw/zinc/90/60/21/622906021.db2.gz SSGIHGPIBPCFQZ-PVXIVEMSSA-N 2 1 298.377 2.413 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000246991320 622906029 /nfs/dbraw/zinc/90/60/29/622906029.db2.gz SSGIHGPIBPCFQZ-PVXIVEMSSA-N 2 1 298.377 2.413 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2ccc(F)c(F)c2)CC[NH+]1C ZINC000246991320 622906033 /nfs/dbraw/zinc/90/60/33/622906033.db2.gz SSGIHGPIBPCFQZ-PVXIVEMSSA-N 2 1 298.377 2.413 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2ccc(F)c(F)c2)CC[NH+]1C ZINC000246991320 622906035 /nfs/dbraw/zinc/90/60/35/622906035.db2.gz SSGIHGPIBPCFQZ-PVXIVEMSSA-N 2 1 298.377 2.413 20 0 CEADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)C1CC1 ZINC000926706138 625785989 /nfs/dbraw/zinc/78/59/89/625785989.db2.gz ACJRWJLGSKIEEC-UYTSQGDYSA-N 2 1 266.429 2.406 20 0 CEADMP Cc1ccc(-c2cc(C[N@@H+]3CC[C@H](C[NH3+])C3)on2)cc1 ZINC000050248310 623372953 /nfs/dbraw/zinc/37/29/53/623372953.db2.gz KZJOFOFUCAIFIS-CYBMUJFWSA-N 2 1 271.364 2.431 20 0 CEADMP Cc1ccc(-c2cc(C[N@H+]3CC[C@H](C[NH3+])C3)on2)cc1 ZINC000050248310 623372958 /nfs/dbraw/zinc/37/29/58/623372958.db2.gz KZJOFOFUCAIFIS-CYBMUJFWSA-N 2 1 271.364 2.431 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cc(Br)cs2)CCC1 ZINC000088052236 623421001 /nfs/dbraw/zinc/42/10/01/623421001.db2.gz VIYORGPEGWEZKT-UHFFFAOYSA-N 2 1 275.215 2.482 20 0 CEADMP CC(C)CC[NH+]1CCC([NH2+]C2COC(C)(C)OC2)CC1 ZINC000926160648 623669395 /nfs/dbraw/zinc/66/93/95/623669395.db2.gz IYAFGVLBXJHWFW-UHFFFAOYSA-N 2 1 284.444 2.238 20 0 CEADMP C[C@H]1C[C@H](N(C)C(=O)c2cc3c[nH]ccc-3n2)CC[N@H+]1C ZINC000933438641 623743508 /nfs/dbraw/zinc/74/35/08/623743508.db2.gz BGNOXOILCQPTGI-WCQYABFASA-N 2 1 286.379 2.118 20 0 CEADMP Cc1noc(C[C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000933568412 623846760 /nfs/dbraw/zinc/84/67/60/623846760.db2.gz HFNVZEJQCBJRDO-HUUCEWRRSA-N 2 1 292.427 2.117 20 0 CEADMP Cc1noc(C[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000933568412 623846769 /nfs/dbraw/zinc/84/67/69/623846769.db2.gz HFNVZEJQCBJRDO-HUUCEWRRSA-N 2 1 292.427 2.117 20 0 CEADMP Cc1noc(C[C@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000933568412 623846781 /nfs/dbraw/zinc/84/67/81/623846781.db2.gz HFNVZEJQCBJRDO-HUUCEWRRSA-N 2 1 292.427 2.117 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C1CCCC1 ZINC000891679371 623892298 /nfs/dbraw/zinc/89/22/98/623892298.db2.gz XRSRRPQQUMNSRB-UHFFFAOYSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cncs1 ZINC000934194585 624308299 /nfs/dbraw/zinc/30/82/99/624308299.db2.gz YHJMQTHVEMQJPD-SNVBAGLBSA-N 2 1 250.371 2.160 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCC(OC)CC2)C1 ZINC000892141889 624350213 /nfs/dbraw/zinc/35/02/13/624350213.db2.gz AONHVVWSLWUHIG-PCKAHOCUSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2CCC(OC)CC2)C1 ZINC000892141889 624350217 /nfs/dbraw/zinc/35/02/17/624350217.db2.gz AONHVVWSLWUHIG-PCKAHOCUSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2CCC(OC)CC2)C1 ZINC000892141889 624350219 /nfs/dbraw/zinc/35/02/19/624350219.db2.gz AONHVVWSLWUHIG-PCKAHOCUSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)[N@H+](C)CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000224246199 624706287 /nfs/dbraw/zinc/70/62/87/624706287.db2.gz OBSUQDQYXVRWSF-LSDHHAIUSA-N 2 1 255.450 2.227 20 0 CEADMP CCCCCCNC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849041647 624721440 /nfs/dbraw/zinc/72/14/40/624721440.db2.gz UOEHPGFUHLWXSI-CQSZACIVSA-N 2 1 268.449 2.413 20 0 CEADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023633296 625085606 /nfs/dbraw/zinc/08/56/06/625085606.db2.gz WFQYCZYGRHWGBY-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023633296 625085613 /nfs/dbraw/zinc/08/56/13/625085613.db2.gz WFQYCZYGRHWGBY-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023633296 625085621 /nfs/dbraw/zinc/08/56/21/625085621.db2.gz WFQYCZYGRHWGBY-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H]1CCCC[N@@H+]1CCNc1nc(N)cc(C)[nH+]1 ZINC000892520900 625889859 /nfs/dbraw/zinc/88/98/59/625889859.db2.gz GHDCZAOBFQLULF-LBPRGKRZSA-N 2 1 263.389 2.044 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNc1nc(N)cc(C)[nH+]1 ZINC000892520900 625889889 /nfs/dbraw/zinc/88/98/89/625889889.db2.gz GHDCZAOBFQLULF-LBPRGKRZSA-N 2 1 263.389 2.044 20 0 CEADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[NH+]1CCCC1 ZINC000820608149 634474622 /nfs/dbraw/zinc/47/46/22/634474622.db2.gz DGLVZZBPBAEWDN-UHFFFAOYSA-N 2 1 275.396 2.091 20 0 CEADMP CNc1ccccc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000902227706 634533917 /nfs/dbraw/zinc/53/39/17/634533917.db2.gz ZJAWPRLKFFGEFY-INIZCTEOSA-N 2 1 291.439 2.055 20 0 CEADMP CC(=O)OC[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000892589760 627293826 /nfs/dbraw/zinc/29/38/26/627293826.db2.gz PFDOSOXLGPVNPG-QLFBSQMISA-N 2 1 284.444 2.286 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC000892615278 627313026 /nfs/dbraw/zinc/31/30/26/627313026.db2.gz XNYUAENKXGCRNC-NSHDSACASA-N 2 1 268.788 2.477 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC000892615278 627313029 /nfs/dbraw/zinc/31/30/29/627313029.db2.gz XNYUAENKXGCRNC-NSHDSACASA-N 2 1 268.788 2.477 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CCCC2)CC1 ZINC000311465202 627666056 /nfs/dbraw/zinc/66/60/56/627666056.db2.gz MXNMDPNNDRDEQB-HNNXBMFYSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902333946 634595669 /nfs/dbraw/zinc/59/56/69/634595669.db2.gz OBHOWYFDRKCIIW-AWEZNQCLSA-N 2 1 255.450 2.086 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000226543228 627829485 /nfs/dbraw/zinc/82/94/85/627829485.db2.gz KQYBZIQFCXEDKM-RRFJBIMHSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)n1nccc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000394655284 627842788 /nfs/dbraw/zinc/84/27/88/627842788.db2.gz WZIPIKGXHHDNQR-CQSZACIVSA-N 2 1 264.417 2.284 20 0 CEADMP CC(C)n1nccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000394655284 627842792 /nfs/dbraw/zinc/84/27/92/627842792.db2.gz WZIPIKGXHHDNQR-CQSZACIVSA-N 2 1 264.417 2.284 20 0 CEADMP C[N@@H+](CCC1SCCS1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000853022937 627918652 /nfs/dbraw/zinc/91/86/52/627918652.db2.gz IDQACZWQPBQAIV-FOSCPWQOSA-N 2 1 272.483 2.397 20 0 CEADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902406551 634621269 /nfs/dbraw/zinc/62/12/69/634621269.db2.gz NVNGZXVOBCIDOM-QGZVFWFLSA-N 2 1 297.402 2.455 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+]C2CCC(C)(O)CC2)CC1 ZINC000893101275 628005941 /nfs/dbraw/zinc/00/59/41/628005941.db2.gz NDJPZZXNAMIGQX-UHFFFAOYSA-N 2 1 298.471 2.159 20 0 CEADMP [NH3+]C1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000902407130 634622578 /nfs/dbraw/zinc/62/25/78/634622578.db2.gz POVCKZXUXPGEMX-WFASDCNBSA-N 2 1 278.371 2.374 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925512151 628044332 /nfs/dbraw/zinc/04/43/32/628044332.db2.gz ABNPABXTTZKYNN-LSDHHAIUSA-N 2 1 265.445 2.125 20 0 CEADMP Cc1ccc(O[C@H](C)C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925520860 628075514 /nfs/dbraw/zinc/07/55/14/628075514.db2.gz AOZVNDSRKIMUKE-HWASQKLDSA-N 2 1 286.419 2.348 20 0 CEADMP Cc1[nH+]ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1Cl ZINC000312063288 628089464 /nfs/dbraw/zinc/08/94/64/628089464.db2.gz JMBFJMXAAOKREN-NEPJUHHUSA-N 2 1 281.787 2.319 20 0 CEADMP C(N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000925536848 628147376 /nfs/dbraw/zinc/14/73/76/628147376.db2.gz HPIIXCQWEASJME-FHLIZLRMSA-N 2 1 291.483 2.229 20 0 CEADMP C([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000925536848 628147380 /nfs/dbraw/zinc/14/73/80/628147380.db2.gz HPIIXCQWEASJME-FHLIZLRMSA-N 3 1 291.483 2.229 20 0 CEADMP C([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000925536848 628147383 /nfs/dbraw/zinc/14/73/83/628147383.db2.gz HPIIXCQWEASJME-FHLIZLRMSA-N 3 1 291.483 2.229 20 0 CEADMP Cc1ccc(OCCC[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000925550987 628198891 /nfs/dbraw/zinc/19/88/91/628198891.db2.gz OTCYWWSRTIFUBD-ZBFHGGJFSA-N 2 1 262.397 2.494 20 0 CEADMP Cc1ccc(OCCC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000925550984 628198997 /nfs/dbraw/zinc/19/89/97/628198997.db2.gz OTCYWWSRTIFUBD-GDBMZVCRSA-N 2 1 262.397 2.494 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000925552396 628205462 /nfs/dbraw/zinc/20/54/62/628205462.db2.gz KMGVREMQSVNCSF-PVAVHDDUSA-N 2 1 287.451 2.380 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925556695 628221303 /nfs/dbraw/zinc/22/13/03/628221303.db2.gz JGOJWDZCUAUITM-QXSJWSMHSA-N 2 1 279.472 2.214 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000925560478 628228968 /nfs/dbraw/zinc/22/89/68/628228968.db2.gz MHDJBOCNZMUMKM-IUOOZAAYSA-N 2 1 278.440 2.408 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775383092 628251709 /nfs/dbraw/zinc/25/17/09/628251709.db2.gz UJQIBCWXQKGONO-UPJWGTAASA-N 2 1 283.466 2.161 20 0 CEADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccccc1 ZINC000925577739 628253706 /nfs/dbraw/zinc/25/37/06/628253706.db2.gz QHTCVWBKTJFKLD-CZUORRHYSA-N 2 1 272.396 2.031 20 0 CEADMP Cn1nc(C2CC2)cc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902405384 634641811 /nfs/dbraw/zinc/64/18/11/634641811.db2.gz MWMGHASZVMKUFY-CYBMUJFWSA-N 2 1 276.428 2.165 20 0 CEADMP C[C@@H]([NH3+])[C@H]([NH2+]C1CCC(CO)CC1)c1ccccc1 ZINC000925612554 628294886 /nfs/dbraw/zinc/29/48/86/628294886.db2.gz SJYJKWOKYHVPDU-XCAIRMDXSA-N 2 1 262.397 2.216 20 0 CEADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925613457 628297013 /nfs/dbraw/zinc/29/70/13/628297013.db2.gz DDGILQISRUZPMT-YHNOVQDZSA-N 2 1 292.448 2.146 20 0 CEADMP CCCSC[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000893318092 628306214 /nfs/dbraw/zinc/30/62/14/628306214.db2.gz KOJWKUJQRFVQQU-OAHLLOKOSA-N 2 1 287.517 2.135 20 0 CEADMP O[C@@]1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCc2ccccc21 ZINC000925621648 628313980 /nfs/dbraw/zinc/31/39/80/628313980.db2.gz JCQKIPDEYKBFBW-SJLPKXTDSA-N 2 1 286.419 2.085 20 0 CEADMP CC(C)[C@@H](O)C1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925634147 628330961 /nfs/dbraw/zinc/33/09/61/628330961.db2.gz HEAIOHSXSKRVRN-ZIAGYGMSSA-N 2 1 266.429 2.048 20 0 CEADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925636106 628332987 /nfs/dbraw/zinc/33/29/87/628332987.db2.gz QRBPGARHQDREHW-DOTOQJQBSA-N 2 1 287.451 2.381 20 0 CEADMP COc1ccc(F)cc1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925646407 628348039 /nfs/dbraw/zinc/34/80/39/628348039.db2.gz UYSXJHIZAGROPR-KBPBESRZSA-N 2 1 264.344 2.194 20 0 CEADMP C[C@](O)(CC[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925647047 628348675 /nfs/dbraw/zinc/34/86/75/628348675.db2.gz XFHVPFQHMXMIQZ-HOTGVXAUSA-N 2 1 274.408 2.158 20 0 CEADMP CC(C)C[NH2+]C1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001026560688 628358051 /nfs/dbraw/zinc/35/80/51/628358051.db2.gz BPINADAHWOXOCK-FHERZECASA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CCC(C)(C)CO1 ZINC000902429675 634651736 /nfs/dbraw/zinc/65/17/36/634651736.db2.gz MZABWCRLZJGITE-MCIONIFRSA-N 2 1 254.418 2.169 20 0 CEADMP C[C@]1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1(Cl)Cl ZINC000925679485 628473601 /nfs/dbraw/zinc/47/36/01/628473601.db2.gz DCPZBWRIETWLOW-VHSXEESVSA-N 2 1 263.212 2.445 20 0 CEADMP OC[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccc(F)cc1 ZINC000925690464 628505302 /nfs/dbraw/zinc/50/53/02/628505302.db2.gz LRGZEWDFTWNLOC-GOEBONIOSA-N 2 1 292.398 2.166 20 0 CEADMP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CCCCN1)c1ccccc1 ZINC000925691969 628509830 /nfs/dbraw/zinc/50/98/30/628509830.db2.gz LCOPKUAFJKURDX-HZPDHXFCSA-N 2 1 261.413 2.198 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC2(C1)CCCCC2 ZINC000311395024 628517641 /nfs/dbraw/zinc/51/76/41/628517641.db2.gz SBCJUVUZRUCCMZ-HNNXBMFYSA-N 2 1 266.429 2.099 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2cccnc2)C1 ZINC000925695065 628520384 /nfs/dbraw/zinc/52/03/84/628520384.db2.gz WPQAXFOKYWMFSJ-ILXRZTDVSA-N 2 1 275.396 2.032 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000925706552 628553337 /nfs/dbraw/zinc/55/33/37/628553337.db2.gz LPGXKEVTKPIZHZ-UKRRQHHQSA-N 2 1 265.445 2.124 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1CCCCO1 ZINC000925714636 628572719 /nfs/dbraw/zinc/57/27/19/628572719.db2.gz SYKDJKYWWIODEX-MJBXVCDLSA-N 2 1 252.402 2.208 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(CC)CC ZINC000902475341 634666728 /nfs/dbraw/zinc/66/67/28/634666728.db2.gz IWNUZJNMEZAXAU-QKGCVVFFSA-N 2 1 266.429 2.453 20 0 CEADMP C([NH2+][C@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1(CC2CC2)CC1 ZINC000925733160 628688263 /nfs/dbraw/zinc/68/82/63/628688263.db2.gz GKEYKNYWCSASKE-HRCADAONSA-N 2 1 278.440 2.313 20 0 CEADMP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1(C)C ZINC000902470809 634686743 /nfs/dbraw/zinc/68/67/43/634686743.db2.gz HBWDJPNNFPXDAI-NJVJYBDUSA-N 2 1 266.429 2.453 20 0 CEADMP c1cc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)n(-c2ccccc2)n1 ZINC000925804262 628853731 /nfs/dbraw/zinc/85/37/31/628853731.db2.gz FROUTSLZNAZCDR-KRWDZBQOSA-N 2 1 296.418 2.289 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1)[C@@H]1CCCC[NH2+]1 ZINC000925806807 628857988 /nfs/dbraw/zinc/85/79/88/628857988.db2.gz RBLUQVIQIQSEJG-USZNOCQGSA-N 2 1 280.334 2.217 20 0 CEADMP CC[C@H]([NH2+]C[C@](C)(O)c1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000925824686 628894438 /nfs/dbraw/zinc/89/44/38/628894438.db2.gz ZZZDOMVJSXXTBX-JYJNAYRXSA-N 2 1 280.387 2.153 20 0 CEADMP C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1c[nH+]ccc1N ZINC000925837891 628935979 /nfs/dbraw/zinc/93/59/79/628935979.db2.gz TZEOTFOIHIBPAL-SKDRFNHKSA-N 2 1 290.333 2.027 20 0 CEADMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)C1CCSCC1 ZINC000925842638 628945573 /nfs/dbraw/zinc/94/55/73/628945573.db2.gz AQRRASRUTZMLSI-OAHLLOKOSA-N 2 1 299.528 2.183 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CC[N@@H+]1C ZINC000925889189 628984893 /nfs/dbraw/zinc/98/48/93/628984893.db2.gz ZWJNPKRPHMUNOV-DDBAPUKQSA-N 3 1 287.451 2.118 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CC[N@H+]1C ZINC000925889189 628984895 /nfs/dbraw/zinc/98/48/95/628984895.db2.gz ZWJNPKRPHMUNOV-DDBAPUKQSA-N 3 1 287.451 2.118 20 0 CEADMP C[N@@H+](Cc1ccc2oc(=O)oc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000893952170 629062683 /nfs/dbraw/zinc/06/26/83/629062683.db2.gz DEMVMKYRNMDVHN-CYBMUJFWSA-N 2 1 290.363 2.160 20 0 CEADMP C[N@H+](Cc1ccc2oc(=O)oc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000893952170 629062687 /nfs/dbraw/zinc/06/26/87/629062687.db2.gz DEMVMKYRNMDVHN-CYBMUJFWSA-N 2 1 290.363 2.160 20 0 CEADMP C[NH+](Cc1ccc2oc(=O)oc2c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000893952170 629062690 /nfs/dbraw/zinc/06/26/90/629062690.db2.gz DEMVMKYRNMDVHN-CYBMUJFWSA-N 2 1 290.363 2.160 20 0 CEADMP C[NH+](Cc1ccc2oc(=O)oc2c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000893952170 629062692 /nfs/dbraw/zinc/06/26/92/629062692.db2.gz DEMVMKYRNMDVHN-CYBMUJFWSA-N 2 1 290.363 2.160 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000902514537 634708584 /nfs/dbraw/zinc/70/85/84/634708584.db2.gz PGMBDGFKNCXINZ-KGLIPLIRSA-N 2 1 272.396 2.392 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCOc1cccc(F)c1 ZINC000902519193 634712390 /nfs/dbraw/zinc/71/23/90/634712390.db2.gz XOVABDFFYLDCGB-SWLSCSKDSA-N 2 1 266.360 2.182 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@H](C)CC[NH+](C)C)[nH]c1C(C)C ZINC000894211910 629230064 /nfs/dbraw/zinc/23/00/64/629230064.db2.gz UVYDPNPFQUMIGB-GFCCVEGCSA-N 2 1 295.427 2.355 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000924915596 629252193 /nfs/dbraw/zinc/25/21/93/629252193.db2.gz HRRBKSLXBAVRMQ-ZUJMUWTESA-N 2 1 254.418 2.264 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000924915596 629252196 /nfs/dbraw/zinc/25/21/96/629252196.db2.gz HRRBKSLXBAVRMQ-ZUJMUWTESA-N 2 1 254.418 2.264 20 0 CEADMP CCCSC[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000894253343 629261872 /nfs/dbraw/zinc/26/18/72/629261872.db2.gz IRMAENUQRDISEI-AWEZNQCLSA-N 2 1 287.517 2.134 20 0 CEADMP COc1c(C)cc(C[NH2+]C2CC[NH+](C)CC2)cc1C ZINC000237129004 629291925 /nfs/dbraw/zinc/29/19/25/629291925.db2.gz IOBDCJVJRMCQBF-UHFFFAOYSA-N 2 1 262.397 2.496 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000925009867 629350177 /nfs/dbraw/zinc/35/01/77/629350177.db2.gz IQJOYPQGEGYYFK-HLIUYOAVSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H](C[NH2+]CCCN1CCC[N@@H+](C)CC1)C(C)(C)C ZINC000894378970 629410392 /nfs/dbraw/zinc/41/03/92/629410392.db2.gz ZTHNNRXWQUSVQD-HNNXBMFYSA-N 2 1 269.477 2.286 20 0 CEADMP Cc1nnc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000894478897 629485448 /nfs/dbraw/zinc/48/54/48/629485448.db2.gz FZMDXBVHXFSHLB-CYBMUJFWSA-N 2 1 280.441 2.010 20 0 CEADMP Cc1nnc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000894478897 629485451 /nfs/dbraw/zinc/48/54/51/629485451.db2.gz FZMDXBVHXFSHLB-CYBMUJFWSA-N 2 1 280.441 2.010 20 0 CEADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CC[C@H]1CCCCO1 ZINC000880136218 629489812 /nfs/dbraw/zinc/48/98/12/629489812.db2.gz ICQUEEFQLQPJIY-QLFBSQMISA-N 2 1 252.402 2.114 20 0 CEADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CC[C@@H]1CCCCO1 ZINC000880136221 629490059 /nfs/dbraw/zinc/49/00/59/629490059.db2.gz ICQUEEFQLQPJIY-SOUVJXGZSA-N 2 1 252.402 2.114 20 0 CEADMP Cc1noc2ncc(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)cc12 ZINC000894765391 629631154 /nfs/dbraw/zinc/63/11/54/629631154.db2.gz HJBNIUONVFJOHA-CYBMUJFWSA-N 2 1 288.395 2.351 20 0 CEADMP Cc1noc2ncc(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)cc12 ZINC000894765391 629631157 /nfs/dbraw/zinc/63/11/57/629631157.db2.gz HJBNIUONVFJOHA-CYBMUJFWSA-N 2 1 288.395 2.351 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000796282420 629832498 /nfs/dbraw/zinc/83/24/98/629832498.db2.gz LJTAAXVPWQWRLD-CYBMUJFWSA-N 2 1 296.484 2.025 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000796282420 629832505 /nfs/dbraw/zinc/83/25/05/629832505.db2.gz LJTAAXVPWQWRLD-CYBMUJFWSA-N 2 1 296.484 2.025 20 0 CEADMP CN(CCC[N@@H+](C)Cc1ccco1)CC[NH+]1CCCC1 ZINC000796675286 629962954 /nfs/dbraw/zinc/96/29/54/629962954.db2.gz LQGITDXFCFGDNM-UHFFFAOYSA-N 2 1 279.428 2.129 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)o1 ZINC000796782360 630004324 /nfs/dbraw/zinc/00/43/24/630004324.db2.gz ZYHMUYZNUQSKTE-LJISPDSOSA-N 2 1 278.396 2.084 20 0 CEADMP COC(=O)c1cc(C[NH2+]CC[C@H](C)[NH+](C)C)[nH]c1C(C)C ZINC000895290597 630083322 /nfs/dbraw/zinc/08/33/22/630083322.db2.gz NJRIMTPDQXVMSS-LBPRGKRZSA-N 2 1 295.427 2.355 20 0 CEADMP CCOCOc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1 ZINC000895296491 630089547 /nfs/dbraw/zinc/08/95/47/630089547.db2.gz MKMCGZRLRIHYGP-AWEZNQCLSA-N 2 1 280.412 2.489 20 0 CEADMP Cc1cnn(C)c1C[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895379566 630150982 /nfs/dbraw/zinc/15/09/82/630150982.db2.gz MGIFAQKWVWIION-GJZGRUSLSA-N 2 1 278.444 2.281 20 0 CEADMP Cc1cnn(C)c1C[N@@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895379566 630150987 /nfs/dbraw/zinc/15/09/87/630150987.db2.gz MGIFAQKWVWIION-GJZGRUSLSA-N 2 1 278.444 2.281 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)nc1 ZINC000895478881 630213778 /nfs/dbraw/zinc/21/37/78/630213778.db2.gz GJTGTZGURDBITR-OAHLLOKOSA-N 2 1 289.423 2.302 20 0 CEADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)nc1 ZINC000895478881 630213783 /nfs/dbraw/zinc/21/37/83/630213783.db2.gz GJTGTZGURDBITR-OAHLLOKOSA-N 2 1 289.423 2.302 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2CCSC2)CCN1c1cc[nH+]cc1 ZINC000895557947 630248410 /nfs/dbraw/zinc/24/84/10/630248410.db2.gz TXGPULUCXWDFIY-UONOGXRCSA-N 2 1 277.437 2.345 20 0 CEADMP COc1cc2cc[nH+]c(NC[C@@H]3CC[N@@H+]3C)c2cc1OC ZINC000895769292 630338358 /nfs/dbraw/zinc/33/83/58/630338358.db2.gz RCJNPHVOODINKJ-LBPRGKRZSA-N 2 1 287.363 2.368 20 0 CEADMP COc1cc2cc[nH+]c(NC[C@@H]3CC[N@H+]3C)c2cc1OC ZINC000895769292 630338363 /nfs/dbraw/zinc/33/83/63/630338363.db2.gz RCJNPHVOODINKJ-LBPRGKRZSA-N 2 1 287.363 2.368 20 0 CEADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@H](C(F)(F)F)O1 ZINC000895939526 630412624 /nfs/dbraw/zinc/41/26/24/630412624.db2.gz ONJLOBBTFWHCFU-WCQYABFASA-N 2 1 294.361 2.370 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000895972157 630423834 /nfs/dbraw/zinc/42/38/34/630423834.db2.gz RTQPRLWCCWWQJL-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000895972157 630423839 /nfs/dbraw/zinc/42/38/39/630423839.db2.gz RTQPRLWCCWWQJL-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000895972157 630423841 /nfs/dbraw/zinc/42/38/41/630423841.db2.gz RTQPRLWCCWWQJL-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP OC1CC[NH+](CCC[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902762238 634816144 /nfs/dbraw/zinc/81/61/44/634816144.db2.gz JDCDBLJTDFSVOC-ZIAGYGMSSA-N 2 1 266.429 2.002 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902766928 634817727 /nfs/dbraw/zinc/81/77/27/634817727.db2.gz URZRLSMXDCDTEH-MIFYACCESA-N 2 1 266.429 2.266 20 0 CEADMP FC(F)(F)OCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000883428876 630590061 /nfs/dbraw/zinc/59/00/61/630590061.db2.gz FRAGTGUTVFYWES-VXGBXAGGSA-N 2 1 280.334 2.234 20 0 CEADMP C[C@@H]1CC[C@@H](CN)[N@@H+](CCCCCCC[NH3+])[C@@H]1C ZINC000883445791 630610745 /nfs/dbraw/zinc/61/07/45/630610745.db2.gz LHEMXJMUXKGDNS-KFWWJZLASA-N 2 1 255.450 2.343 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000896734931 630652224 /nfs/dbraw/zinc/65/22/24/630652224.db2.gz KIFYHUZWDWSJGN-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@@H](C[NH2+]CC1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000054240457 630699429 /nfs/dbraw/zinc/69/94/29/630699429.db2.gz LOOXMSGQTUBPBP-MRXNPFEDSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935464 630954391 /nfs/dbraw/zinc/95/43/91/630954391.db2.gz PDLBFJPVAYRSNI-WBVHZDCISA-N 2 1 276.424 2.259 20 0 CEADMP COc1ccc([C@H](CO)[N@H+](C)C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904322215 635567896 /nfs/dbraw/zinc/56/78/96/635567896.db2.gz SKDSDXAYMZBARW-DLBZAZTESA-N 2 1 292.423 2.050 20 0 CEADMP COc1ccc([C@H](CO)[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904322215 635567900 /nfs/dbraw/zinc/56/79/00/635567900.db2.gz SKDSDXAYMZBARW-DLBZAZTESA-N 2 1 292.423 2.050 20 0 CEADMP CC[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000985435558 631075893 /nfs/dbraw/zinc/07/58/93/631075893.db2.gz KFAPFHYBICREEI-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000909612347 631131984 /nfs/dbraw/zinc/13/19/84/631131984.db2.gz ITRAKUQPCGIYJS-MRXNPFEDSA-N 2 1 289.423 2.479 20 0 CEADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000909612347 631131988 /nfs/dbraw/zinc/13/19/88/631131988.db2.gz ITRAKUQPCGIYJS-MRXNPFEDSA-N 2 1 289.423 2.479 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH+](C)C(C)C)CC1 ZINC000985803857 631184027 /nfs/dbraw/zinc/18/40/27/631184027.db2.gz LLBXDUNPRGGWFQ-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)C(C)C)CC1 ZINC000985803857 631184029 /nfs/dbraw/zinc/18/40/29/631184029.db2.gz LLBXDUNPRGGWFQ-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)C(C)C)CC1 ZINC000985803857 631184031 /nfs/dbraw/zinc/18/40/31/631184031.db2.gz LLBXDUNPRGGWFQ-MRXNPFEDSA-N 2 1 295.471 2.192 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNCC1([NH3+])CC1 ZINC000904448529 635641025 /nfs/dbraw/zinc/64/10/25/635641025.db2.gz AOCSHIAXPJZLLW-UHFFFAOYSA-N 2 1 275.440 2.226 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c(C)c1 ZINC000897620171 631831472 /nfs/dbraw/zinc/83/14/72/631831472.db2.gz IAWYCPGJEOJDLO-DOTOQJQBSA-N 2 1 274.408 2.387 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c(C)c1 ZINC000897620171 631831474 /nfs/dbraw/zinc/83/14/74/631831474.db2.gz IAWYCPGJEOJDLO-DOTOQJQBSA-N 2 1 274.408 2.387 20 0 CEADMP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c(C)c1 ZINC000897620171 631831476 /nfs/dbraw/zinc/83/14/76/631831476.db2.gz IAWYCPGJEOJDLO-DOTOQJQBSA-N 2 1 274.408 2.387 20 0 CEADMP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c(C)c1 ZINC000897620171 631831478 /nfs/dbraw/zinc/83/14/78/631831478.db2.gz IAWYCPGJEOJDLO-DOTOQJQBSA-N 2 1 274.408 2.387 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccnc2C)[C@@H](C)C1 ZINC000898252737 632123194 /nfs/dbraw/zinc/12/31/94/632123194.db2.gz GZXODEJJDVTBOY-BBRMVZONSA-N 2 1 261.413 2.252 20 0 CEADMP CO[C@@](C)(C[N@@H+](C)CC(C)(C)C[NH+](C)C)C1CC1 ZINC000898308121 632166482 /nfs/dbraw/zinc/16/64/82/632166482.db2.gz OXVMTBRWGVAOAD-HNNXBMFYSA-N 2 1 256.434 2.321 20 0 CEADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989483286 632184729 /nfs/dbraw/zinc/18/47/29/632184729.db2.gz RSFCTTJFTSEKNI-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCO[C@H](C[NH2+][C@H](c1ccccn1)C(C)C)CN(C)C ZINC000926957352 632384614 /nfs/dbraw/zinc/38/46/14/632384614.db2.gz ACBPRVFLSSIOCO-ZBFHGGJFSA-N 2 1 279.428 2.335 20 0 CEADMP CC[N@@H+]1CCCC[C@H]1C(=O)OCC[C@H]1CCCC[NH+]1C ZINC000840236257 632410010 /nfs/dbraw/zinc/41/00/10/632410010.db2.gz SNHVVUMXEFEVDO-CABCVRRESA-N 2 1 282.428 2.278 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)OCC[C@H]1CCCC[NH+]1C ZINC000840236257 632410016 /nfs/dbraw/zinc/41/00/16/632410016.db2.gz SNHVVUMXEFEVDO-CABCVRRESA-N 2 1 282.428 2.278 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000840236257 632410019 /nfs/dbraw/zinc/41/00/19/632410019.db2.gz SNHVVUMXEFEVDO-CABCVRRESA-N 2 1 282.428 2.278 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000840236257 632410027 /nfs/dbraw/zinc/41/00/27/632410027.db2.gz SNHVVUMXEFEVDO-CABCVRRESA-N 2 1 282.428 2.278 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000924704251 632438932 /nfs/dbraw/zinc/43/89/32/632438932.db2.gz CEOHPULBYRDKGS-GJZGRUSLSA-N 2 1 299.422 2.260 20 0 CEADMP CCC[NH+]1CCC(CNc2nc(N(C)C)cc[nH+]2)CC1 ZINC000811787079 632444707 /nfs/dbraw/zinc/44/47/07/632444707.db2.gz CDXKTEFNIPBWEP-UHFFFAOYSA-N 2 1 277.416 2.077 20 0 CEADMP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C(C)(C)CO ZINC000924739999 632594580 /nfs/dbraw/zinc/59/45/80/632594580.db2.gz RBFGFADEJPROFJ-IIAWOOMASA-N 2 1 270.461 2.494 20 0 CEADMP CC[C@@](O)(C[NH2+]CC1(C[NH+](C)C)CCCC1)C(F)(F)F ZINC000905214720 635884120 /nfs/dbraw/zinc/88/41/20/635884120.db2.gz VLHBLKNPBDIPQD-CYBMUJFWSA-N 2 1 296.377 2.401 20 0 CEADMP CCc1cc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)[nH]n1 ZINC000817891588 633753805 /nfs/dbraw/zinc/75/38/05/633753805.db2.gz DXCHSDZBYQOTEJ-GXTWGEPZSA-N 2 1 264.417 2.373 20 0 CEADMP C[C@@H]([NH2+]CCNc1ccccc1)c1c[nH+]ccc1N ZINC000817898879 633760764 /nfs/dbraw/zinc/76/07/64/633760764.db2.gz CAYUZMKFDJFFER-GFCCVEGCSA-N 2 1 256.353 2.257 20 0 CEADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000817906069 633765982 /nfs/dbraw/zinc/76/59/82/633765982.db2.gz XJCOYRIWVVNCCK-XOUADPBQSA-N 2 1 262.397 2.229 20 0 CEADMP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[C@@H]1[NH3+])CCC2 ZINC000817921707 633778586 /nfs/dbraw/zinc/77/85/86/633778586.db2.gz HPUJSDWFZSYMBK-JBLDHEPKSA-N 2 1 251.399 2.298 20 0 CEADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cnc1Cl ZINC000817933571 633786572 /nfs/dbraw/zinc/78/65/72/633786572.db2.gz KMJGOAYOFCQRGQ-KCJUWKMLSA-N 2 1 257.740 2.091 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@H]2CCC[C@@H]21 ZINC000817948846 633795055 /nfs/dbraw/zinc/79/50/55/633795055.db2.gz LWECJWNWEYUZHV-SQNIBIBYSA-N 3 1 287.451 2.150 20 0 CEADMP CN1CC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@H]2CCC[C@@H]21 ZINC000817948846 633795058 /nfs/dbraw/zinc/79/50/58/633795058.db2.gz LWECJWNWEYUZHV-SQNIBIBYSA-N 2 1 287.451 2.150 20 0 CEADMP COCc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)ccc1OC ZINC000817964555 633805793 /nfs/dbraw/zinc/80/57/93/633805793.db2.gz CLOYCSIERNRBGI-ABAIWWIYSA-N 2 1 278.396 2.230 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000817964935 633807171 /nfs/dbraw/zinc/80/71/71/633807171.db2.gz JUJHUNPCUMPOTF-IAQYHMDHSA-N 2 1 289.379 2.031 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc2c(c1)CCO2 ZINC000817966056 633808682 /nfs/dbraw/zinc/80/86/82/633808682.db2.gz ZVUHCGKMZGWQQG-HUUCEWRRSA-N 2 1 260.381 2.400 20 0 CEADMP COCc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1OC ZINC000817977745 633821835 /nfs/dbraw/zinc/82/18/35/633821835.db2.gz OAOYTQBJKRMMST-SRVKXCTJSA-N 2 1 266.385 2.228 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc2c(c1)CCO2 ZINC000817981535 633824543 /nfs/dbraw/zinc/82/45/43/633824543.db2.gz SZICGTCICSXXNI-CVEARBPZSA-N 2 1 290.407 2.041 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+]2C(C)(C)C)C[C@@H]1C ZINC000900797890 633855295 /nfs/dbraw/zinc/85/52/95/633855295.db2.gz BPGUIJACVBKXIA-SOUVJXGZSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C[C@@H]1C ZINC000900797890 633855302 /nfs/dbraw/zinc/85/53/02/633855302.db2.gz BPGUIJACVBKXIA-SOUVJXGZSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C[C@@H]1C ZINC000900797890 633855308 /nfs/dbraw/zinc/85/53/08/633855308.db2.gz BPGUIJACVBKXIA-SOUVJXGZSA-N 2 1 295.471 2.190 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000818625985 633964915 /nfs/dbraw/zinc/96/49/15/633964915.db2.gz BGLZQBQKHPWPNZ-GASCZTMLSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000818625985 633964920 /nfs/dbraw/zinc/96/49/20/633964920.db2.gz BGLZQBQKHPWPNZ-GASCZTMLSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000818625985 633964925 /nfs/dbraw/zinc/96/49/25/633964925.db2.gz BGLZQBQKHPWPNZ-GASCZTMLSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000818625985 633964932 /nfs/dbraw/zinc/96/49/32/633964932.db2.gz BGLZQBQKHPWPNZ-GASCZTMLSA-N 2 1 283.460 2.050 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000818963360 634019134 /nfs/dbraw/zinc/01/91/34/634019134.db2.gz QZBIQFASVRONSF-BFYDXBDKSA-N 2 1 292.398 2.384 20 0 CEADMP O[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000818973309 634023346 /nfs/dbraw/zinc/02/33/46/634023346.db2.gz UVFLMGXTPDBSAN-MLGOLLRUSA-N 2 1 294.826 2.447 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000818972532 634023571 /nfs/dbraw/zinc/02/35/71/634023571.db2.gz JXZDARNYWRFGDJ-RHSMWYFYSA-N 2 1 274.408 2.102 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000818973130 634023772 /nfs/dbraw/zinc/02/37/72/634023772.db2.gz RWNUYATUUJTORH-CXAGYDPISA-N 2 1 292.398 2.241 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cc(F)ccc2F)C1 ZINC000818979926 634026658 /nfs/dbraw/zinc/02/66/58/634026658.db2.gz DPPDBBWTXFUUMQ-WBMJQRKESA-N 2 1 298.377 2.320 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(C)cc2)C1 ZINC000818981771 634028381 /nfs/dbraw/zinc/02/83/81/634028381.db2.gz YONQORUFRWFPGR-WBVHZDCISA-N 2 1 276.424 2.350 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000819101947 634067982 /nfs/dbraw/zinc/06/79/82/634067982.db2.gz BMDJAZAUTGGMME-XNRPHZJLSA-N 2 1 280.387 2.240 20 0 CEADMP CCO[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000902799945 634839693 /nfs/dbraw/zinc/83/96/93/634839693.db2.gz ICMDGRULGNBDME-YESZJQIVSA-N 2 1 298.471 2.161 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1COc2ccccc2C1 ZINC000902896088 634885236 /nfs/dbraw/zinc/88/52/36/634885236.db2.gz HIBVDRZWYQLUGO-RHSMWYFYSA-N 2 1 286.419 2.478 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902987154 634919677 /nfs/dbraw/zinc/91/96/77/634919677.db2.gz DBRGHZIUQHTLJD-OVYBAWALSA-N 2 1 278.440 2.264 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902987154 634919680 /nfs/dbraw/zinc/91/96/80/634919680.db2.gz DBRGHZIUQHTLJD-OVYBAWALSA-N 2 1 278.440 2.264 20 0 CEADMP CC[NH+](CC)CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903056814 634949531 /nfs/dbraw/zinc/94/95/31/634949531.db2.gz YOQOHMSLBRVMSA-ZXFUBFMLSA-N 2 1 279.472 2.466 20 0 CEADMP CC[NH+](CC)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903056814 634949536 /nfs/dbraw/zinc/94/95/36/634949536.db2.gz YOQOHMSLBRVMSA-ZXFUBFMLSA-N 3 1 279.472 2.466 20 0 CEADMP CC[NH+](CC)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903056814 634949540 /nfs/dbraw/zinc/94/95/40/634949540.db2.gz YOQOHMSLBRVMSA-ZXFUBFMLSA-N 3 1 279.472 2.466 20 0 CEADMP CC[N@H+]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903074877 634957297 /nfs/dbraw/zinc/95/72/97/634957297.db2.gz XJVYJONQHOBXIG-ZBSSRIJBSA-N 3 1 277.456 2.076 20 0 CEADMP CC[NH+]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903074877 634957299 /nfs/dbraw/zinc/95/72/99/634957299.db2.gz XJVYJONQHOBXIG-ZBSSRIJBSA-N 3 1 277.456 2.076 20 0 CEADMP CC[NH+]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903074877 634957302 /nfs/dbraw/zinc/95/73/02/634957302.db2.gz XJVYJONQHOBXIG-ZBSSRIJBSA-N 3 1 277.456 2.076 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903074877 634957305 /nfs/dbraw/zinc/95/73/05/634957305.db2.gz XJVYJONQHOBXIG-ZBSSRIJBSA-N 3 1 277.456 2.076 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903074877 634957311 /nfs/dbraw/zinc/95/73/11/634957311.db2.gz XJVYJONQHOBXIG-ZBSSRIJBSA-N 3 1 277.456 2.076 20 0 CEADMP CC[NH+]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903074877 634957312 /nfs/dbraw/zinc/95/73/12/634957312.db2.gz XJVYJONQHOBXIG-ZBSSRIJBSA-N 3 1 277.456 2.076 20 0 CEADMP CC[NH+]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903074877 634957316 /nfs/dbraw/zinc/95/73/16/634957316.db2.gz XJVYJONQHOBXIG-ZBSSRIJBSA-N 3 1 277.456 2.076 20 0 CEADMP CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000903075363 634958246 /nfs/dbraw/zinc/95/82/46/634958246.db2.gz UPDOSVZAHNXHCM-CABCVRRESA-N 2 1 286.379 2.233 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCOCC1 ZINC000903085837 634962953 /nfs/dbraw/zinc/96/29/53/634962953.db2.gz HHFKWSDWYVNBFY-VHRNVKJDSA-N 2 1 264.413 2.160 20 0 CEADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)CC[N@H+]1C ZINC000903099176 634968694 /nfs/dbraw/zinc/96/86/94/634968694.db2.gz CSOLOTOYFPFGNS-VUZHLFFPSA-N 2 1 277.456 2.217 20 0 CEADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC[NH+]1C ZINC000903099176 634968696 /nfs/dbraw/zinc/96/86/96/634968696.db2.gz CSOLOTOYFPFGNS-VUZHLFFPSA-N 3 1 277.456 2.217 20 0 CEADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC[NH+]1C ZINC000903099176 634968699 /nfs/dbraw/zinc/96/86/99/634968699.db2.gz CSOLOTOYFPFGNS-VUZHLFFPSA-N 3 1 277.456 2.217 20 0 CEADMP c1ccc(NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)nc1 ZINC000903100149 634969252 /nfs/dbraw/zinc/96/92/52/634969252.db2.gz QUJVVVCPBVWKEB-VHRNVKJDSA-N 2 1 286.423 2.241 20 0 CEADMP CC[C@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903111158 634974526 /nfs/dbraw/zinc/97/45/26/634974526.db2.gz UPYRUYBLHCRAIC-WPXLMEDKSA-N 2 1 266.429 2.142 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCSC1 ZINC000903159867 634993752 /nfs/dbraw/zinc/99/37/52/634993752.db2.gz RNHXJZYKUYHEHD-IKKMQULASA-N 2 1 266.454 2.487 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903147897 634996071 /nfs/dbraw/zinc/99/60/71/634996071.db2.gz UBPRLRSLYXIZHN-ZXFUBFMLSA-N 3 1 291.483 2.466 20 0 CEADMP C(C[C@@H]1CCOC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903148999 634996744 /nfs/dbraw/zinc/99/67/44/634996744.db2.gz ZAGDONAFYMAXTM-WPXLMEDKSA-N 2 1 264.413 2.160 20 0 CEADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)(C)O ZINC000903177926 635000135 /nfs/dbraw/zinc/00/01/35/635000135.db2.gz RTAGHTHEGMNBAK-CHEQUFIKSA-N 2 1 266.429 2.283 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCc2ccnn2-c2ccccc2)CC[N@H+]1C ZINC000903169332 635004132 /nfs/dbraw/zinc/00/41/32/635004132.db2.gz HBSIXVQXKXJGCR-HOTGVXAUSA-N 2 1 298.434 2.487 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)[C@H]2CCC[C@H]21 ZINC000903250873 635028807 /nfs/dbraw/zinc/02/88/07/635028807.db2.gz DSWYPKFBKPMPDE-DMRKSPOLSA-N 2 1 278.440 2.406 20 0 CEADMP OC[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903293484 635043181 /nfs/dbraw/zinc/04/31/81/635043181.db2.gz SXDBHLIQPACMAA-KSZLIROESA-N 2 1 288.435 2.197 20 0 CEADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000903354716 635083206 /nfs/dbraw/zinc/08/32/06/635083206.db2.gz XIHYXBXDRQQGJT-MCIONIFRSA-N 2 1 284.444 2.427 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000903427058 635113114 /nfs/dbraw/zinc/11/31/14/635113114.db2.gz SAJFBXKZWPTQST-HIFRSBDPSA-N 2 1 292.423 2.300 20 0 CEADMP Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903427346 635113905 /nfs/dbraw/zinc/11/39/05/635113905.db2.gz WWLQAKSXNKVWOW-CABCVRRESA-N 2 1 289.423 2.301 20 0 CEADMP C1CC1[C@H]1COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903436343 635117002 /nfs/dbraw/zinc/11/70/02/635117002.db2.gz IRHOKURJHMDXMV-SXLMRFEMSA-N 2 1 276.424 2.159 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000903437595 635117959 /nfs/dbraw/zinc/11/79/59/635117959.db2.gz KADBMGPOEWLCAX-UWWQBHOKSA-N 2 1 288.435 2.214 20 0 CEADMP CC(C)Cc1ccccc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000903458829 635125227 /nfs/dbraw/zinc/12/52/27/635125227.db2.gz LEPJCQAUBXVMKD-QGZVFWFLSA-N 2 1 276.424 2.435 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](Oc3ccccc3)C2)C1 ZINC000903460465 635125870 /nfs/dbraw/zinc/12/58/70/635125870.db2.gz DFJRNQDVFYPACW-LZWOXQAQSA-N 2 1 260.381 2.267 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1Cc2ccccc2N(C)C[C@H]1C ZINC000903444993 635130833 /nfs/dbraw/zinc/13/08/33/635130833.db2.gz WARSHQVXJPZQLY-FMKPAKJESA-N 2 1 273.424 2.182 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C(C)C ZINC000903454044 635138019 /nfs/dbraw/zinc/13/80/19/635138019.db2.gz SKASPAZPHAQGHJ-OAGGEKHMSA-N 2 1 268.445 2.227 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000903476051 635144798 /nfs/dbraw/zinc/14/47/98/635144798.db2.gz MDEPBKGLFWZTKU-IJEWVQPXSA-N 2 1 266.429 2.266 20 0 CEADMP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CCCC1 ZINC000903481723 635149728 /nfs/dbraw/zinc/14/97/28/635149728.db2.gz KUDFROQDUJWMAC-LSDHHAIUSA-N 2 1 266.429 2.456 20 0 CEADMP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CCC2(CCC2)O1 ZINC000903481886 635150111 /nfs/dbraw/zinc/15/01/11/635150111.db2.gz PNXMRAANQCOUAW-UONOGXRCSA-N 2 1 264.413 2.352 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717265 635232280 /nfs/dbraw/zinc/23/22/80/635232280.db2.gz LWOJAXIBIHNNHM-RBSFLKMASA-N 2 1 252.402 2.020 20 0 CEADMP CCOC(=O)c1csc(C[N@H+](C)C2CCC([NH3+])CC2)n1 ZINC000903717175 635232338 /nfs/dbraw/zinc/23/23/38/635232338.db2.gz IUVFVOXTHMHNIX-UHFFFAOYSA-N 2 1 297.424 2.022 20 0 CEADMP CCOC(=O)c1csc(C[N@@H+](C)C2CCC([NH3+])CC2)n1 ZINC000903717175 635232344 /nfs/dbraw/zinc/23/23/44/635232344.db2.gz IUVFVOXTHMHNIX-UHFFFAOYSA-N 2 1 297.424 2.022 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718347 635233752 /nfs/dbraw/zinc/23/37/52/635233752.db2.gz KZBHLGXMMPPWIG-OIISXLGYSA-N 2 1 274.408 2.448 20 0 CEADMP C[N@H+](Cc1cccc(F)c1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717996 635234095 /nfs/dbraw/zinc/23/40/95/635234095.db2.gz GYMHDEQAIYSJIW-HZPDHXFCSA-N 2 1 278.371 2.026 20 0 CEADMP C[N@@H+](CCOc1ccccc1)C[C@H]1CCCC[NH2+]C1 ZINC000903718373 635234134 /nfs/dbraw/zinc/23/41/34/635234134.db2.gz LMVKQVOLMYHRTP-HNNXBMFYSA-N 2 1 262.397 2.387 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903723686 635237240 /nfs/dbraw/zinc/23/72/40/635237240.db2.gz XZSRMJTUYNWOAM-HUUCEWRRSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1ccc(C[N@@H+](C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)s1 ZINC000903729254 635241086 /nfs/dbraw/zinc/24/10/86/635241086.db2.gz LJOCFKATJWCABS-ZFWWWQNUSA-N 2 1 280.437 2.257 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)OC1CCSCC1 ZINC000903749832 635247891 /nfs/dbraw/zinc/24/78/91/635247891.db2.gz PXCOTFPHUBUBKO-LSDHHAIUSA-N 2 1 298.496 2.220 20 0 CEADMP [NH3+]CCC[N@H+](Cc1cnn(CCF)c1)CC1CCCC1 ZINC000903749177 635248158 /nfs/dbraw/zinc/24/81/58/635248158.db2.gz HEQGLAKYGNLHGY-UHFFFAOYSA-N 2 1 282.407 2.194 20 0 CEADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733435 635249515 /nfs/dbraw/zinc/24/95/15/635249515.db2.gz KGJOLOMVRBKUQX-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP CN1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)Cc2ccccc21 ZINC000903736993 635251740 /nfs/dbraw/zinc/25/17/40/635251740.db2.gz OJGOBQSGAOZDJL-HNNXBMFYSA-N 2 1 273.424 2.328 20 0 CEADMP C[C@@H]1CCCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903759118 635255857 /nfs/dbraw/zinc/25/58/57/635255857.db2.gz OXZIYNFSYKLKDZ-CABCVRRESA-N 2 1 266.429 2.267 20 0 CEADMP CC[C@@H](C)[N@@H+](CC)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903768887 635259856 /nfs/dbraw/zinc/25/98/56/635259856.db2.gz UMPFPPHKRLLZRY-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCN1CC(F)F ZINC000903756311 635260563 /nfs/dbraw/zinc/26/05/63/635260563.db2.gz PYONLOHDCJJZRN-UONOGXRCSA-N 2 1 289.414 2.037 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCN1CC(F)F ZINC000903756311 635260565 /nfs/dbraw/zinc/26/05/65/635260565.db2.gz PYONLOHDCJJZRN-UONOGXRCSA-N 2 1 289.414 2.037 20 0 CEADMP C([C@@H]1CCCC[NH2+]C1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000903756113 635260909 /nfs/dbraw/zinc/26/09/09/635260909.db2.gz OXRLQBPNGKZHGE-ZBFHGGJFSA-N 2 1 266.429 2.125 20 0 CEADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903770285 635261165 /nfs/dbraw/zinc/26/11/65/635261165.db2.gz WKLPWCJPPJIING-KBPBESRZSA-N 2 1 266.429 2.123 20 0 CEADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903757526 635262226 /nfs/dbraw/zinc/26/22/26/635262226.db2.gz DGCRYTYQIOURHB-XGUBFFRZSA-N 2 1 252.402 2.018 20 0 CEADMP C(C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)OC1CCSCC1 ZINC000903784049 635268763 /nfs/dbraw/zinc/26/87/63/635268763.db2.gz KAHYEJXVGSHZKR-MRXNPFEDSA-N 2 1 298.496 2.364 20 0 CEADMP NC[C@]12CC[C@@H]1CCC[N@@H+]2CCc1cccs1 ZINC000903799106 635275926 /nfs/dbraw/zinc/27/59/26/635275926.db2.gz QUDCALDXKQPDNX-GXTWGEPZSA-N 2 1 250.411 2.494 20 0 CEADMP NC[C@]12CC[C@@H]1CCC[N@H+]2CCc1cccs1 ZINC000903799106 635275929 /nfs/dbraw/zinc/27/59/29/635275929.db2.gz QUDCALDXKQPDNX-GXTWGEPZSA-N 2 1 250.411 2.494 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2CCc1cccs1 ZINC000903799106 635275934 /nfs/dbraw/zinc/27/59/34/635275934.db2.gz QUDCALDXKQPDNX-GXTWGEPZSA-N 2 1 250.411 2.494 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2CCc1cccs1 ZINC000903799106 635275939 /nfs/dbraw/zinc/27/59/39/635275939.db2.gz QUDCALDXKQPDNX-GXTWGEPZSA-N 2 1 250.411 2.494 20 0 CEADMP CCc1cccc(C[N@H+](C)C2(C[NH3+])CCOCC2)c1 ZINC000903809609 635283270 /nfs/dbraw/zinc/28/32/70/635283270.db2.gz HMONWOKPGDFKLS-UHFFFAOYSA-N 2 1 262.397 2.189 20 0 CEADMP CCc1cccc(C[N@@H+](C)C2(C[NH3+])CCOCC2)c1 ZINC000903809609 635283272 /nfs/dbraw/zinc/28/32/72/635283272.db2.gz HMONWOKPGDFKLS-UHFFFAOYSA-N 2 1 262.397 2.189 20 0 CEADMP CO[C@H](C[N@@H+](C)C1(C[NH3+])CCOCC1)C1CCCCC1 ZINC000903809811 635283544 /nfs/dbraw/zinc/28/35/44/635283544.db2.gz LYMOIZKSQNQIHY-OAHLLOKOSA-N 2 1 284.444 2.021 20 0 CEADMP CC1(C)CC[C@@H](C[N@H+]2CC[NH2+]CCC23CCOCC3)OC1 ZINC000903818810 635287692 /nfs/dbraw/zinc/28/76/92/635287692.db2.gz VTUMQIZVMAJDAT-HNNXBMFYSA-N 2 1 296.455 2.036 20 0 CEADMP [NH3+][C@@H]1c2ccccc2C[C@H]1NCc1cccc2c1CC[NH2+]C2 ZINC000903819664 635289486 /nfs/dbraw/zinc/28/94/86/635289486.db2.gz LDOGJUAPUOFEEB-RTBURBONSA-N 2 1 293.414 2.047 20 0 CEADMP CC1(C)CC[N@@H+](CCOCC[NH3+])C[C@H]1c1ccccc1 ZINC000903824901 635292288 /nfs/dbraw/zinc/29/22/88/635292288.db2.gz UQGJFTOCMMCKQP-INIZCTEOSA-N 2 1 276.424 2.477 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000903825345 635293462 /nfs/dbraw/zinc/29/34/62/635293462.db2.gz ZKBNCZPWFSSOHO-IRXDYDNUSA-N 2 1 296.455 2.036 20 0 CEADMP COc1ccc(C[N@@H+](CCCO)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903831099 635295541 /nfs/dbraw/zinc/29/55/41/635295541.db2.gz DDKAERAVPUIHBB-CVEARBPZSA-N 2 1 292.423 2.007 20 0 CEADMP C[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCN1c1ccccc1 ZINC000903831315 635295633 /nfs/dbraw/zinc/29/56/33/635295633.db2.gz HVNCHICEOUQJGC-HOTGVXAUSA-N 2 1 273.424 2.197 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1ccsc1)C2 ZINC000903841798 635299488 /nfs/dbraw/zinc/29/94/88/635299488.db2.gz GGNCXAXRVCUXIX-IHRRRGAJSA-N 2 1 250.411 2.492 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NC1CCCCCCC1)C2 ZINC000903849208 635303388 /nfs/dbraw/zinc/30/33/88/635303388.db2.gz ASXKBUURSYHEMV-LZWOXQAQSA-N 2 1 293.455 2.027 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NC1CCCCCCC1)C2 ZINC000903849208 635303394 /nfs/dbraw/zinc/30/33/94/635303394.db2.gz ASXKBUURSYHEMV-LZWOXQAQSA-N 2 1 293.455 2.027 20 0 CEADMP CO[C@H](C[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+])C1CCCCC1 ZINC000903861813 635313137 /nfs/dbraw/zinc/31/31/37/635313137.db2.gz YHRLAFIGFFICFV-XHSDSOJGSA-N 2 1 266.429 2.395 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+])C1CCCCC1 ZINC000903861813 635313141 /nfs/dbraw/zinc/31/31/41/635313141.db2.gz YHRLAFIGFFICFV-XHSDSOJGSA-N 2 1 266.429 2.395 20 0 CEADMP C[C@]12CSC[C@H]1C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903871917 635319852 /nfs/dbraw/zinc/31/98/52/635319852.db2.gz SHUAKZKWPZACID-MCIONIFRSA-N 2 1 254.443 2.061 20 0 CEADMP CC[C@H]1CCCC[N@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903872109 635321404 /nfs/dbraw/zinc/32/14/04/635321404.db2.gz DAUAUSVCQLYQLV-ZBFHGGJFSA-N 2 1 278.444 2.110 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903878655 635323530 /nfs/dbraw/zinc/32/35/30/635323530.db2.gz KGZNQQGZMAIGCI-MQVJKMGUSA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)N1CCC([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903878655 635323533 /nfs/dbraw/zinc/32/35/33/635323533.db2.gz KGZNQQGZMAIGCI-MQVJKMGUSA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)N1CCC([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903878655 635323535 /nfs/dbraw/zinc/32/35/35/635323535.db2.gz KGZNQQGZMAIGCI-MQVJKMGUSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@]1(C2CC2)COCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000903881539 635325165 /nfs/dbraw/zinc/32/51/65/635325165.db2.gz GSSFAJKOOVOHBB-INIZCTEOSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+]([C@H](C)C2CC2)C2CC2)cnn1C ZINC000903883515 635326508 /nfs/dbraw/zinc/32/65/08/635326508.db2.gz IOOWJEHOYWFIBQ-ZIAGYGMSSA-N 2 1 290.455 2.109 20 0 CEADMP [NH3+][C@@H](CC(F)F)C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000903893219 635328907 /nfs/dbraw/zinc/32/89/07/635328907.db2.gz SMYOXZZAOOGHES-ZFWWWQNUSA-N 2 1 298.377 2.341 20 0 CEADMP [NH3+][C@@H](CC(F)F)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000903893219 635328914 /nfs/dbraw/zinc/32/89/14/635328914.db2.gz SMYOXZZAOOGHES-ZFWWWQNUSA-N 2 1 298.377 2.341 20 0 CEADMP CC(C)CO[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903898955 635335201 /nfs/dbraw/zinc/33/52/01/635335201.db2.gz PWKDOGAQINHPPH-UYTSQGDYSA-N 2 1 266.429 2.264 20 0 CEADMP C[N@H+]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2(CCCCC2)C1 ZINC000903899540 635335320 /nfs/dbraw/zinc/33/53/20/635335320.db2.gz TVKXFFKRMWFJDP-ALOPSCKCSA-N 2 1 291.483 2.467 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000903939308 635356013 /nfs/dbraw/zinc/35/60/13/635356013.db2.gz FWFFNWPRCITTSP-SDDRHHMPSA-N 2 1 280.334 2.028 20 0 CEADMP FC1(F)C[C@@]12CC[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903933169 635358209 /nfs/dbraw/zinc/35/82/09/635358209.db2.gz ZPBOTJJVUKRLJV-PSEXLTFBSA-N 2 1 256.340 2.248 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)[C@@H]2CCC(C)(C)C2)cnn1C ZINC000903917923 635367026 /nfs/dbraw/zinc/36/70/26/635367026.db2.gz OTLQMUYZPRIFAA-GDBMZVCRSA-N 2 1 292.471 2.356 20 0 CEADMP C([C@H]1CCSC1)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959760 635370075 /nfs/dbraw/zinc/37/00/75/635370075.db2.gz NSFNMOLMBCXKFU-ZIAGYGMSSA-N 2 1 254.443 2.205 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2c(C)cc(OC)nc2C)CC1 ZINC000903946616 635379492 /nfs/dbraw/zinc/37/94/92/635379492.db2.gz WZAMPBJBSCSWOR-UHFFFAOYSA-N 2 1 277.412 2.410 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+](CCN)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000903953331 635385980 /nfs/dbraw/zinc/38/59/80/635385980.db2.gz DBMKVDTUJUBNTC-HIFRSBDPSA-N 2 1 295.858 2.489 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](CCN)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000903953331 635385985 /nfs/dbraw/zinc/38/59/85/635385985.db2.gz DBMKVDTUJUBNTC-HIFRSBDPSA-N 2 1 295.858 2.489 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000903978982 635396372 /nfs/dbraw/zinc/39/63/72/635396372.db2.gz QUSMMLZJVXCVER-NRSFXHEJSA-N 3 1 287.451 2.315 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000903964875 635398821 /nfs/dbraw/zinc/39/88/21/635398821.db2.gz SVUKNRBOOLEBGO-CJNGLKHVSA-N 2 1 282.391 2.089 20 0 CEADMP C[C@@H]1C[C@H](C)CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903986782 635405822 /nfs/dbraw/zinc/40/58/22/635405822.db2.gz RYIHWDKQCQDWKC-KFWWJZLASA-N 2 1 291.443 2.071 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1C ZINC000904302432 635555035 /nfs/dbraw/zinc/55/50/35/635555035.db2.gz WFNRIKXRCSCLJP-UHFFFAOYSA-N 2 1 278.396 2.198 20 0 CEADMP COc1cccc(C[C@H]2CCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904312045 635560424 /nfs/dbraw/zinc/56/04/24/635560424.db2.gz DZAJCAVMZNSAOC-OWCLPIDISA-N 2 1 274.408 2.439 20 0 CEADMP C[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313373 635561763 /nfs/dbraw/zinc/56/17/63/635561763.db2.gz ZKFHPQLMCYOCKK-OKILXGFUSA-N 2 1 270.380 2.041 20 0 CEADMP COCCOC[C@@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904325439 635571772 /nfs/dbraw/zinc/57/17/72/635571772.db2.gz ZJMZKNWQOHFFBE-HUUCEWRRSA-N 2 1 286.460 2.125 20 0 CEADMP COCCOC[C@@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904325439 635571778 /nfs/dbraw/zinc/57/17/78/635571778.db2.gz ZJMZKNWQOHFFBE-HUUCEWRRSA-N 2 1 286.460 2.125 20 0 CEADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904328418 635573805 /nfs/dbraw/zinc/57/38/05/635573805.db2.gz DVNWPHZHDFJPCI-PBHICJAKSA-N 2 1 296.455 2.287 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cn1 ZINC000825130959 635575661 /nfs/dbraw/zinc/57/56/61/635575661.db2.gz HPIQCKQCZYOYMS-CVEARBPZSA-N 2 1 298.390 2.233 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C[C@H]([NH3+])CCC(C)(C)C ZINC000904332467 635576393 /nfs/dbraw/zinc/57/63/93/635576393.db2.gz PDRLUZZVCMLYPG-CABCVRRESA-N 2 1 269.477 2.412 20 0 CEADMP C[C@@]1(C[N@H+]2CCOCC3(CCCC3)C2)CCC[NH2+]C1 ZINC000904346117 635581382 /nfs/dbraw/zinc/58/13/82/635581382.db2.gz OZOFPZLKETYCMW-OAHLLOKOSA-N 2 1 266.429 2.269 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000904350969 635584071 /nfs/dbraw/zinc/58/40/71/635584071.db2.gz SMSLUAFEQVEGAC-AWEZNQCLSA-N 3 1 267.461 2.216 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])CN1CCC2(C1)CC[NH2+]CC2 ZINC000904350969 635584077 /nfs/dbraw/zinc/58/40/77/635584077.db2.gz SMSLUAFEQVEGAC-AWEZNQCLSA-N 2 1 267.461 2.216 20 0 CEADMP CC(C)(C)CC[C@H](N)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000904350969 635584083 /nfs/dbraw/zinc/58/40/83/635584083.db2.gz SMSLUAFEQVEGAC-AWEZNQCLSA-N 2 1 267.461 2.216 20 0 CEADMP CC(C)(C)CC[C@H](N)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000904350969 635584088 /nfs/dbraw/zinc/58/40/88/635584088.db2.gz SMSLUAFEQVEGAC-AWEZNQCLSA-N 2 1 267.461 2.216 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)CCC[NH2+]C1 ZINC000904374357 635595520 /nfs/dbraw/zinc/59/55/20/635595520.db2.gz QOZPHDGWZFATEI-XHSDSOJGSA-N 2 1 266.429 2.267 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1C ZINC000904376910 635602054 /nfs/dbraw/zinc/60/20/54/635602054.db2.gz YSOVNRDDKCPWKP-OCCSQVGLSA-N 2 1 276.380 2.093 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000904404634 635611128 /nfs/dbraw/zinc/61/11/28/635611128.db2.gz BENVKJFLCDGCOK-LLVKDONJSA-N 2 1 276.409 2.309 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)c(-c2cccs2)n1 ZINC000904404956 635612697 /nfs/dbraw/zinc/61/26/97/635612697.db2.gz BZGISQVIBGHHFN-LBPRGKRZSA-N 2 1 290.436 2.319 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nc3c(s2)CCCC3)CC[C@@H]1C[NH3+] ZINC000904410341 635616789 /nfs/dbraw/zinc/61/67/89/635616789.db2.gz FCRRBBFNWOYWQF-NWDGAFQWSA-N 2 1 279.453 2.439 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000825326004 635616821 /nfs/dbraw/zinc/61/68/21/635616821.db2.gz JMUZNVOWHOIDRK-UHFFFAOYSA-N 2 1 296.455 2.384 20 0 CEADMP C[C@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)CC[C@@H]1C[NH3+] ZINC000904411288 635619414 /nfs/dbraw/zinc/61/94/14/635619414.db2.gz UBRMSSLVIBFHLJ-WMLDXEAASA-N 2 1 288.435 2.471 20 0 CEADMP C[C@]12C[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000904463278 635635527 /nfs/dbraw/zinc/63/55/27/635635527.db2.gz OWXNPPMJGDLKDA-XJBAAKRRSA-N 2 1 256.340 2.113 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000904449111 635640342 /nfs/dbraw/zinc/64/03/42/635640342.db2.gz HAJIHPWRXNIRRX-UHFFFAOYSA-N 2 1 276.771 2.311 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccccc1C[NH3+] ZINC000904634999 635692247 /nfs/dbraw/zinc/69/22/47/635692247.db2.gz WHCPWOYCBWEWFB-ZDUSSCGKSA-N 2 1 292.427 2.387 20 0 CEADMP Cc1[nH+]c(N)ccc1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC000904768798 635730211 /nfs/dbraw/zinc/73/02/11/635730211.db2.gz NNGKGTQDGLSRKL-UHFFFAOYSA-N 2 1 268.364 2.049 20 0 CEADMP CC(C)CC[C@H]([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308617 636230440 /nfs/dbraw/zinc/23/04/40/636230440.db2.gz OJGGPDHFFGUTAS-LBPRGKRZSA-N 2 1 266.389 2.048 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)CC[C@H]1[NH3+] ZINC000252823788 636395278 /nfs/dbraw/zinc/39/52/78/636395278.db2.gz CJTNXZZBEYTUCF-VNHYZAJKSA-N 2 1 260.381 2.222 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000252826488 636395406 /nfs/dbraw/zinc/39/54/06/636395406.db2.gz GTWSGEPFFUEXSX-HUUCEWRRSA-N 2 1 274.408 2.484 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)CC[C@H]1[NH3+] ZINC000252823787 636395448 /nfs/dbraw/zinc/39/54/48/636395448.db2.gz CJTNXZZBEYTUCF-UMVBOHGHSA-N 2 1 260.381 2.222 20 0 CEADMP CC(C)CC(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000828427602 636594020 /nfs/dbraw/zinc/59/40/20/636594020.db2.gz OQDXBEZATWREDT-CQSZACIVSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)CC(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000828427602 636594026 /nfs/dbraw/zinc/59/40/26/636594026.db2.gz OQDXBEZATWREDT-CQSZACIVSA-N 2 1 254.418 2.408 20 0 CEADMP CCOc1cc(C[NH2+]C2CC([NH3+])C2)cc(Cl)c1OC ZINC000906508349 636758919 /nfs/dbraw/zinc/75/89/19/636758919.db2.gz OEIIKEFXUSSRIX-UHFFFAOYSA-N 2 1 284.787 2.327 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000906510154 636760432 /nfs/dbraw/zinc/76/04/32/636760432.db2.gz OFNRLVHWNXNIQN-UHFFFAOYSA-N 2 1 283.375 2.240 20 0 CEADMP Cc1cc(C[NH2+]C2CC([NH3+])C2)c(OC(F)F)cc1C ZINC000906510755 636761512 /nfs/dbraw/zinc/76/15/12/636761512.db2.gz VDDFEIRYVWAAET-UHFFFAOYSA-N 2 1 270.323 2.484 20 0 CEADMP Cc1nccn1CCC[N@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829366537 636834735 /nfs/dbraw/zinc/83/47/35/636834735.db2.gz OGQOTZONBQNXMU-GOSISDBHSA-N 2 1 299.418 2.347 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829366537 636834740 /nfs/dbraw/zinc/83/47/40/636834740.db2.gz OGQOTZONBQNXMU-GOSISDBHSA-N 2 1 299.418 2.347 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829366537 636834745 /nfs/dbraw/zinc/83/47/45/636834745.db2.gz OGQOTZONBQNXMU-GOSISDBHSA-N 2 1 299.418 2.347 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000907433235 637023137 /nfs/dbraw/zinc/02/31/37/637023137.db2.gz UGPYCCHIJMGDPP-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000907433235 637023141 /nfs/dbraw/zinc/02/31/41/637023141.db2.gz UGPYCCHIJMGDPP-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000907433235 637023142 /nfs/dbraw/zinc/02/31/42/637023142.db2.gz UGPYCCHIJMGDPP-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](CC2(C)CCCC2)CC1 ZINC000876737464 650414588 /nfs/dbraw/zinc/41/45/88/650414588.db2.gz RDLCSKAKLAIDMV-UHFFFAOYSA-N 2 1 268.445 2.345 20 0 CEADMP COc1cnc(F)c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000876811865 650442553 /nfs/dbraw/zinc/44/25/53/650442553.db2.gz HNIIQLVDSPISSE-WFASDCNBSA-N 2 1 293.386 2.145 20 0 CEADMP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000912648961 638753752 /nfs/dbraw/zinc/75/37/52/638753752.db2.gz MHQINOJISSZZLW-PMPSAXMXSA-N 2 1 295.471 2.050 20 0 CEADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000876899223 650477800 /nfs/dbraw/zinc/47/78/00/650477800.db2.gz UMDPRAXCXSYEID-KZULUSFZSA-N 2 1 276.361 2.393 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C)OC ZINC000876916553 650485241 /nfs/dbraw/zinc/48/52/41/650485241.db2.gz UUVKGWXFYMJMAL-VNHYZAJKSA-N 2 1 267.417 2.478 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3(O)CCCCC3)CC[C@H]21 ZINC000227342852 639586357 /nfs/dbraw/zinc/58/63/57/639586357.db2.gz RJZDTOXOTVXQGV-HUUCEWRRSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3(O)CCCCC3)CC[C@H]21 ZINC000227342852 639586360 /nfs/dbraw/zinc/58/63/60/639586360.db2.gz RJZDTOXOTVXQGV-HUUCEWRRSA-N 2 1 266.429 2.098 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(O)CCCCC3)CC[C@H]21 ZINC000227342852 639586362 /nfs/dbraw/zinc/58/63/62/639586362.db2.gz RJZDTOXOTVXQGV-HUUCEWRRSA-N 2 1 266.429 2.098 20 0 CEADMP Cc1ccc2c(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)cc(=O)oc2c1 ZINC000228077111 639614521 /nfs/dbraw/zinc/61/45/21/639614521.db2.gz KRNDHBUOCZACKE-CHWSQXEVSA-N 2 1 286.375 2.271 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+](C)Cc2cnn(-c3ccccc3)n2)CC[NH2+]1 ZINC000841008148 639615812 /nfs/dbraw/zinc/61/58/12/639615812.db2.gz WATHFWTWFNEBKG-HUUCEWRRSA-N 2 1 299.422 2.087 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cnn(-c3ccccc3)n2)CC[NH2+]1 ZINC000841008148 639615822 /nfs/dbraw/zinc/61/58/22/639615822.db2.gz WATHFWTWFNEBKG-HUUCEWRRSA-N 2 1 299.422 2.087 20 0 CEADMP C([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)[C@H]1CCCC[NH2+]1 ZINC000841033577 639625353 /nfs/dbraw/zinc/62/53/53/639625353.db2.gz WAUPDJDYOICWOZ-NDBYEHHHSA-N 2 1 272.483 2.098 20 0 CEADMP OCCCCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000228333915 639630535 /nfs/dbraw/zinc/63/05/35/639630535.db2.gz JSTLAWWHUJXKPP-CABCVRRESA-N 2 1 254.418 2.003 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3cccs3)C[C@@H]21 ZINC000230048114 639730071 /nfs/dbraw/zinc/73/00/71/639730071.db2.gz HGXJUZCAMXAFMY-KWCYVHTRSA-N 2 1 250.411 2.350 20 0 CEADMP C[N@H+]1CCN(C[C@@]2(C)CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000062861671 639788906 /nfs/dbraw/zinc/78/89/06/639788906.db2.gz RVHKUDLAMBKIOS-MSOLQXFVSA-N 2 1 287.451 2.365 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000382282831 640037781 /nfs/dbraw/zinc/03/77/81/640037781.db2.gz DQESKPGIYAHLLO-ZBFHGGJFSA-N 2 1 264.413 2.347 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000382282831 640037786 /nfs/dbraw/zinc/03/77/86/640037786.db2.gz DQESKPGIYAHLLO-ZBFHGGJFSA-N 2 1 264.413 2.347 20 0 CEADMP Cc1noc(C)c1C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000842471693 640071058 /nfs/dbraw/zinc/07/10/58/640071058.db2.gz TUQKNBVCRPSHDV-ZDUSSCGKSA-N 2 1 251.374 2.113 20 0 CEADMP CC(C)N1C(=O)C[N@@H+](CCCCCCC[NH3+])CC1(C)C ZINC000842473544 640072914 /nfs/dbraw/zinc/07/29/14/640072914.db2.gz YWZTYORWXFTIRL-UHFFFAOYSA-N 2 1 283.460 2.227 20 0 CEADMP CCOC(=O)[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000842476316 640075540 /nfs/dbraw/zinc/07/55/40/640075540.db2.gz LQKJIOYZBXJJHJ-AWEZNQCLSA-N 2 1 270.417 2.171 20 0 CEADMP CCc1ccc2c(C[N@H+](C)CCC[NH2+]C)cc(=O)oc2c1 ZINC000842477474 640076997 /nfs/dbraw/zinc/07/69/97/640076997.db2.gz WXLVRUUXDCRUIV-UHFFFAOYSA-N 2 1 288.391 2.397 20 0 CEADMP CCc1ccc2c(C[N@@H+](C)CCC[NH2+]C)cc(=O)oc2c1 ZINC000842477474 640077000 /nfs/dbraw/zinc/07/70/00/640077000.db2.gz WXLVRUUXDCRUIV-UHFFFAOYSA-N 2 1 288.391 2.397 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(Cl)nn1 ZINC000877057674 650552913 /nfs/dbraw/zinc/55/29/13/650552913.db2.gz LDXGICSBNQXROE-UHFFFAOYSA-N 2 1 279.775 2.205 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245677296 640135470 /nfs/dbraw/zinc/13/54/70/640135470.db2.gz LLKWVSOIKKZAHI-RFGFWPKPSA-N 2 1 266.385 2.164 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245677296 640135474 /nfs/dbraw/zinc/13/54/74/640135474.db2.gz LLKWVSOIKKZAHI-RFGFWPKPSA-N 2 1 266.385 2.164 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+]C[C@H]2CCCOC2)[C@H](c2ccccc2)C1 ZINC000842766015 640174857 /nfs/dbraw/zinc/17/48/57/640174857.db2.gz OWENBIUFNVDNCB-NXHRZFHOSA-N 2 1 288.435 2.348 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+]C[C@@H]2CCCOC2)[C@H](c2ccccc2)C1 ZINC000842766014 640175280 /nfs/dbraw/zinc/17/52/80/640175280.db2.gz OWENBIUFNVDNCB-JQHSSLGASA-N 2 1 288.435 2.348 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000877073769 650559755 /nfs/dbraw/zinc/55/97/55/650559755.db2.gz RWOYBUWGQCOJRI-STQMWFEESA-N 2 1 299.365 2.206 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000843046735 640251370 /nfs/dbraw/zinc/25/13/70/640251370.db2.gz ADBMBDUCFFUDAC-CQSZACIVSA-N 2 1 255.365 2.406 20 0 CEADMP CCOc1cccc(C[N@@H+](C)C2CCC([NH3+])CC2)n1 ZINC000843055681 640258973 /nfs/dbraw/zinc/25/89/73/640258973.db2.gz KLKCQOSGPBLZCU-UHFFFAOYSA-N 2 1 263.385 2.182 20 0 CEADMP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc12 ZINC000843127611 640294752 /nfs/dbraw/zinc/29/47/52/640294752.db2.gz FDSVZDXYZUBEPM-DTWKUNHWSA-N 2 1 295.818 2.146 20 0 CEADMP Cn1c(Cl)nc(Cl)c1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000843128646 640295598 /nfs/dbraw/zinc/29/55/98/640295598.db2.gz NGCJJFQOSWUNCS-UHFFFAOYSA-N 2 1 299.205 2.475 20 0 CEADMP C[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000843181794 640333255 /nfs/dbraw/zinc/33/32/55/640333255.db2.gz RBSGTUORMBAVKJ-NSHDSACASA-N 2 1 272.352 2.352 20 0 CEADMP Clc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccn1 ZINC000843363901 640405508 /nfs/dbraw/zinc/40/55/08/640405508.db2.gz SIWCDXPWFKMDLX-UHFFFAOYSA-N 2 1 265.788 2.311 20 0 CEADMP OCCCCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843387611 640413041 /nfs/dbraw/zinc/41/30/41/640413041.db2.gz VKVZABMYFVXGMC-HZPDHXFCSA-N 2 1 268.445 2.251 20 0 CEADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001015597583 640505373 /nfs/dbraw/zinc/50/53/73/640505373.db2.gz VKUQWGHMHCVGMR-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001015597583 640505379 /nfs/dbraw/zinc/50/53/79/640505379.db2.gz VKUQWGHMHCVGMR-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001015597583 640505383 /nfs/dbraw/zinc/50/53/83/640505383.db2.gz VKUQWGHMHCVGMR-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP [NH3+]CCCCCCC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000844177462 640624627 /nfs/dbraw/zinc/62/46/27/640624627.db2.gz JRDBNRJFSIREAL-UHFFFAOYSA-N 2 1 289.423 2.028 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@]3(F)CC[NH2+]C3)c2C1 ZINC000844179863 640625182 /nfs/dbraw/zinc/62/51/82/640625182.db2.gz NDVNJNSYWRXOLN-MRXNPFEDSA-N 2 1 291.370 2.052 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@]3(F)CC[NH2+]C3)c2C1 ZINC000844179863 640625189 /nfs/dbraw/zinc/62/51/89/640625189.db2.gz NDVNJNSYWRXOLN-MRXNPFEDSA-N 2 1 291.370 2.052 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)[C@@H]1CC[NH3+] ZINC000844901661 640860622 /nfs/dbraw/zinc/86/06/22/640860622.db2.gz JWFSPFSLONDJLQ-GOEBONIOSA-N 2 1 299.422 2.217 20 0 CEADMP Cc1cc2oc(=O)cc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)c2cc1C ZINC000917198640 640863863 /nfs/dbraw/zinc/86/38/63/640863863.db2.gz IMNXYPBCDMWCRQ-GJZGRUSLSA-N 2 1 298.386 2.061 20 0 CEADMP c1ccc(C[N@@H+]2CCCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000919880739 641090508 /nfs/dbraw/zinc/09/05/08/641090508.db2.gz OEDZZZKDYGCCSX-UHFFFAOYSA-N 2 1 287.451 2.290 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCCNc1ccccn1 ZINC000925480357 641152799 /nfs/dbraw/zinc/15/27/99/641152799.db2.gz VVVSDUREJHPUQA-ZIAGYGMSSA-N 2 1 262.401 2.004 20 0 CEADMP Cn1nccc1[C@@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846219945 641228643 /nfs/dbraw/zinc/22/86/43/641228643.db2.gz DGICNAFOQYQUGW-CQSZACIVSA-N 2 1 264.417 2.119 20 0 CEADMP C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185225276 641953614 /nfs/dbraw/zinc/95/36/14/641953614.db2.gz IAZFGYFSDYBOHL-WFASDCNBSA-N 2 1 289.379 2.342 20 0 CEADMP CC1CC[NH+](CCC[NH2+]Cc2cnn(CCF)c2)CC1 ZINC000921500432 642031183 /nfs/dbraw/zinc/03/11/83/642031183.db2.gz MNVPJORCZVRALO-UHFFFAOYSA-N 2 1 282.407 2.064 20 0 CEADMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N1CCC1 ZINC000849006941 642223882 /nfs/dbraw/zinc/22/38/82/642223882.db2.gz JSYKGWYKSHUTDG-HNNXBMFYSA-N 2 1 278.444 2.261 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC)CC1 ZINC000997170133 642225216 /nfs/dbraw/zinc/22/52/16/642225216.db2.gz LULUQXFJXOPMEF-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)NC(=[NH2+])NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000849026272 642239662 /nfs/dbraw/zinc/23/96/62/642239662.db2.gz QSFBEMZUUYUXNU-CQSZACIVSA-N 2 1 266.433 2.306 20 0 CEADMP CC(C)CCNC(=[NH2+])NCC[N@H+]1CCCC(C)(C)C1 ZINC000849105338 642262079 /nfs/dbraw/zinc/26/20/79/642262079.db2.gz IDXSSHYAYGNYEU-UHFFFAOYSA-N 2 1 268.449 2.268 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1nccc2c1CCCC2 ZINC000921627033 642287435 /nfs/dbraw/zinc/28/74/35/642287435.db2.gz CQVLRHOVFAMHDX-UHFFFAOYSA-N 2 1 270.380 2.255 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997951501 642346695 /nfs/dbraw/zinc/34/66/95/642346695.db2.gz YFLDXEZQKCHLEF-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997951501 642346697 /nfs/dbraw/zinc/34/66/97/642346697.db2.gz YFLDXEZQKCHLEF-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999036280 642454827 /nfs/dbraw/zinc/45/48/27/642454827.db2.gz RRCABFDGLRRJKI-GPANFISMSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC(C)(C)C)CC1 ZINC001002473347 642789746 /nfs/dbraw/zinc/78/97/46/642789746.db2.gz DTWPOGZTFLSODW-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1)C2 ZINC000922386080 643057706 /nfs/dbraw/zinc/05/77/06/643057706.db2.gz FMHRSYGYXUEGPB-BRSBDYLESA-N 2 1 288.435 2.256 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccsc1)C2 ZINC000922390084 643058385 /nfs/dbraw/zinc/05/83/85/643058385.db2.gz XFURJJWYDHZCTD-WCVJEAGWSA-N 2 1 294.464 2.317 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](CC1(C)CCCC1)CCO2 ZINC000877607269 650811183 /nfs/dbraw/zinc/81/11/83/650811183.db2.gz CIQGXZBEWZMOGB-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+](CCOC(F)F)CC[C@H]1CCCC[NH+]1C ZINC000851787475 643162821 /nfs/dbraw/zinc/16/28/21/643162821.db2.gz VPRMWBHCQIDANT-LLVKDONJSA-N 2 1 250.333 2.032 20 0 CEADMP C[N@@H+](CCOC(F)F)CC[C@H]1CCCC[NH+]1C ZINC000851787475 643162828 /nfs/dbraw/zinc/16/28/28/643162828.db2.gz VPRMWBHCQIDANT-LLVKDONJSA-N 2 1 250.333 2.032 20 0 CEADMP C[NH+](CCOC(F)F)CC[C@H]1CCCC[N@@H+]1C ZINC000851787475 643162834 /nfs/dbraw/zinc/16/28/34/643162834.db2.gz VPRMWBHCQIDANT-LLVKDONJSA-N 2 1 250.333 2.032 20 0 CEADMP C[NH+](CCOC(F)F)CC[C@H]1CCCC[N@H+]1C ZINC000851787475 643162837 /nfs/dbraw/zinc/16/28/37/643162837.db2.gz VPRMWBHCQIDANT-LLVKDONJSA-N 2 1 250.333 2.032 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCOC(F)F)C[C@H]1C ZINC000851796810 643167395 /nfs/dbraw/zinc/16/73/95/643167395.db2.gz KQLKAKFMRUGFAG-MNOVXSKESA-N 2 1 250.333 2.030 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCOC(F)F)C[C@H]1C ZINC000851796810 643167397 /nfs/dbraw/zinc/16/73/97/643167397.db2.gz KQLKAKFMRUGFAG-MNOVXSKESA-N 2 1 250.333 2.030 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC(F)F)C[C@H]1C ZINC000851796810 643167400 /nfs/dbraw/zinc/16/74/00/643167400.db2.gz KQLKAKFMRUGFAG-MNOVXSKESA-N 2 1 250.333 2.030 20 0 CEADMP CC(C)CC1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000851810546 643176179 /nfs/dbraw/zinc/17/61/79/643176179.db2.gz IQRXCHMJDKAPLJ-MRXNPFEDSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)CC1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000851810546 643176181 /nfs/dbraw/zinc/17/61/81/643176181.db2.gz IQRXCHMJDKAPLJ-MRXNPFEDSA-N 2 1 270.461 2.446 20 0 CEADMP Cc1nccn1CCC[N@H+](C)CC[C@H]1COC(C)(C)O1 ZINC000851859909 643195591 /nfs/dbraw/zinc/19/55/91/643195591.db2.gz CDEKNFNAMWZUFR-AWEZNQCLSA-N 2 1 281.400 2.055 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@H]1COC(C)(C)O1 ZINC000851859909 643195595 /nfs/dbraw/zinc/19/55/95/643195595.db2.gz CDEKNFNAMWZUFR-AWEZNQCLSA-N 2 1 281.400 2.055 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@H]1COC(C)(C)O1 ZINC000851859909 643195600 /nfs/dbraw/zinc/19/56/00/643195600.db2.gz CDEKNFNAMWZUFR-AWEZNQCLSA-N 2 1 281.400 2.055 20 0 CEADMP CN(C)[C@@H](CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(F)(F)F ZINC000922750549 643239682 /nfs/dbraw/zinc/23/96/82/643239682.db2.gz AQCGDKUCIWCLFZ-NEPJUHHUSA-N 2 1 295.393 2.331 20 0 CEADMP CCO[C@H](C[NH2+]CC1=Cc2ccccc2OC1)CN(C)C ZINC000922756077 643246453 /nfs/dbraw/zinc/24/64/53/643246453.db2.gz DWDZDYSZDGEDIA-MRXNPFEDSA-N 2 1 290.407 2.019 20 0 CEADMP CCO[C@@H](C[NH2+]CC1=Cc2ccccc2OC1)CN(C)C ZINC000922756075 643246928 /nfs/dbraw/zinc/24/69/28/643246928.db2.gz DWDZDYSZDGEDIA-INIZCTEOSA-N 2 1 290.407 2.019 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CCc2ccccc2C1)C[NH+](C)C ZINC000922762123 643250095 /nfs/dbraw/zinc/25/00/95/643250095.db2.gz UHKXOUJQBGCVTF-DLBZAZTESA-N 2 1 276.424 2.100 20 0 CEADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)c1ccccc1)C2 ZINC000852104409 643308494 /nfs/dbraw/zinc/30/84/94/643308494.db2.gz BKUKHVOEOWYOSG-IAGOWNOFSA-N 2 1 274.408 2.138 20 0 CEADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)c1ccccc1)C2 ZINC000852104409 643308498 /nfs/dbraw/zinc/30/84/98/643308498.db2.gz BKUKHVOEOWYOSG-IAGOWNOFSA-N 2 1 274.408 2.138 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)c1ccccc1)C2 ZINC000852104409 643308503 /nfs/dbraw/zinc/30/85/03/643308503.db2.gz BKUKHVOEOWYOSG-IAGOWNOFSA-N 2 1 274.408 2.138 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)c1ccccc1)C2 ZINC000852104409 643308511 /nfs/dbraw/zinc/30/85/11/643308511.db2.gz BKUKHVOEOWYOSG-IAGOWNOFSA-N 2 1 274.408 2.138 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000852109147 643311159 /nfs/dbraw/zinc/31/11/59/643311159.db2.gz WPICGCPNKRWLIS-MSOLQXFVSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccccc1[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852109147 643311163 /nfs/dbraw/zinc/31/11/63/643311163.db2.gz WPICGCPNKRWLIS-MSOLQXFVSA-N 2 1 288.435 2.446 20 0 CEADMP Cc1ccccc1[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852109147 643311171 /nfs/dbraw/zinc/31/11/71/643311171.db2.gz WPICGCPNKRWLIS-MSOLQXFVSA-N 2 1 288.435 2.446 20 0 CEADMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000922946559 643472324 /nfs/dbraw/zinc/47/23/24/643472324.db2.gz KWHYQSOYMYJEHN-KBPBESRZSA-N 2 1 256.434 2.367 20 0 CEADMP CC1(C)C[C@]1([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000852771109 643544192 /nfs/dbraw/zinc/54/41/92/643544192.db2.gz BMMAEDMELXEIJC-WMZOPIPTSA-N 2 1 288.435 2.358 20 0 CEADMP C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)C1SCCS1 ZINC000853023106 643624062 /nfs/dbraw/zinc/62/40/62/643624062.db2.gz NPJAZYSHOBWSCU-UHFFFAOYSA-N 2 1 272.483 2.258 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H](O)CCc1ccccc1 ZINC000923279072 643636312 /nfs/dbraw/zinc/63/63/12/643636312.db2.gz CKNOVERGCDGLEF-XIRDDKMYSA-N 2 1 276.424 2.182 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H](O)CCc1ccccc1 ZINC000923279072 643636315 /nfs/dbraw/zinc/63/63/15/643636315.db2.gz CKNOVERGCDGLEF-XIRDDKMYSA-N 2 1 276.424 2.182 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000923290563 643643384 /nfs/dbraw/zinc/64/33/84/643643384.db2.gz ZINHRCZZZRXKAG-FVQBIDKESA-N 2 1 262.397 2.088 20 0 CEADMP CC(C)[N@H+](Cc1cccs1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303092 643650186 /nfs/dbraw/zinc/65/01/86/643650186.db2.gz ICBUSCRBDXYAJW-CYBMUJFWSA-N 2 1 280.437 2.337 20 0 CEADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301885 643650216 /nfs/dbraw/zinc/65/02/16/643650216.db2.gz ZKJHUTSLMGIVGF-WCQYABFASA-N 2 1 296.361 2.336 20 0 CEADMP C[C@H](O)C[N@@H+](CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000923305832 643651966 /nfs/dbraw/zinc/65/19/66/643651966.db2.gz GJVCPIKWPZKMDV-AWEZNQCLSA-N 2 1 262.397 2.012 20 0 CEADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000923308670 643652294 /nfs/dbraw/zinc/65/22/94/643652294.db2.gz DRUVGUINTLFUTP-HUUCEWRRSA-N 2 1 264.413 2.020 20 0 CEADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCC[NH2+]C2CC2)C1(C)C ZINC000923314819 643654262 /nfs/dbraw/zinc/65/42/62/643654262.db2.gz YYSZDPNMICGWHR-KGLIPLIRSA-N 2 1 254.418 2.264 20 0 CEADMP CN1CCC[C@H]1[C@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923323579 643662131 /nfs/dbraw/zinc/66/21/31/643662131.db2.gz UPITZUYQHSEXGT-OOHRUWKFSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923323579 643662134 /nfs/dbraw/zinc/66/21/34/643662134.db2.gz UPITZUYQHSEXGT-OOHRUWKFSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@H+]1CCC[C@H]1[C@H]1CCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923323579 643662139 /nfs/dbraw/zinc/66/21/39/643662139.db2.gz UPITZUYQHSEXGT-OOHRUWKFSA-N 2 1 291.483 2.466 20 0 CEADMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cnn(C)c1 ZINC000923322673 643662489 /nfs/dbraw/zinc/66/24/89/643662489.db2.gz RCUVOZMNBJZRAT-VHRNVKJDSA-N 2 1 276.428 2.163 20 0 CEADMP CCc1nccn1[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923321004 643662588 /nfs/dbraw/zinc/66/25/88/643662588.db2.gz BEAQCPCASOGMPV-OAHLLOKOSA-N 2 1 276.428 2.225 20 0 CEADMP CCC[N@@H+](C[C@H](O)CCc1ccccc1)C1CC[NH2+]CC1 ZINC000923326363 643664269 /nfs/dbraw/zinc/66/42/69/643664269.db2.gz GINRFCYFLYOIPC-GOSISDBHSA-N 2 1 290.451 2.444 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923350057 643673373 /nfs/dbraw/zinc/67/33/73/643673373.db2.gz ZCYHRNTZUMCUFN-GFCCVEGCSA-N 2 1 251.374 2.106 20 0 CEADMP N[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1c1ccccc1 ZINC000923349588 643673394 /nfs/dbraw/zinc/67/33/94/643673394.db2.gz CCFDVXZVNOTJQV-FWCIAMDOSA-N 2 1 299.462 2.334 20 0 CEADMP [NH3+][C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1c1ccccc1 ZINC000923349588 643673395 /nfs/dbraw/zinc/67/33/95/643673395.db2.gz CCFDVXZVNOTJQV-FWCIAMDOSA-N 2 1 299.462 2.334 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)CC[C@H]1[NH3+] ZINC000923346676 643676329 /nfs/dbraw/zinc/67/63/29/643676329.db2.gz UXACTIOKZKMDBW-IXDOHACOSA-N 2 1 276.424 2.039 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(F)cc1F ZINC000923353242 643677824 /nfs/dbraw/zinc/67/78/24/643677824.db2.gz JBSZKVJGHCHQKM-DOMZBBRYSA-N 2 1 284.350 2.202 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(F)cc1F ZINC000923353242 643677837 /nfs/dbraw/zinc/67/78/37/643677837.db2.gz JBSZKVJGHCHQKM-DOMZBBRYSA-N 2 1 284.350 2.202 20 0 CEADMP C[NH2+]CCC[N@H+](C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000923377859 643686436 /nfs/dbraw/zinc/68/64/36/643686436.db2.gz QIEPCCNCLLMMFT-ZDUSSCGKSA-N 2 1 290.329 2.280 20 0 CEADMP C[NH2+]CCC[N@@H+](C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000923377859 643686438 /nfs/dbraw/zinc/68/64/38/643686438.db2.gz QIEPCCNCLLMMFT-ZDUSSCGKSA-N 2 1 290.329 2.280 20 0 CEADMP C[NH2+]CCC[N@H+](C)C[C@H](O)c1ccc(F)cc1Cl ZINC000923378389 643687231 /nfs/dbraw/zinc/68/72/31/643687231.db2.gz IFHIWZSZUWOVJR-ZDUSSCGKSA-N 2 1 274.767 2.054 20 0 CEADMP C[NH2+]CCC[N@@H+](C)C[C@H](O)c1ccc(F)cc1Cl ZINC000923378389 643687232 /nfs/dbraw/zinc/68/72/32/643687232.db2.gz IFHIWZSZUWOVJR-ZDUSSCGKSA-N 2 1 274.767 2.054 20 0 CEADMP CC(C)CC[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923384977 643689677 /nfs/dbraw/zinc/68/96/77/643689677.db2.gz RFQCGFCZTVIKCF-LSDHHAIUSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@H](O)c1ccc(F)cc1F ZINC000923426647 643705986 /nfs/dbraw/zinc/70/59/86/643705986.db2.gz OZXDDFJPONMPOL-HNNXBMFYSA-N 2 1 286.366 2.449 20 0 CEADMP Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000923428789 643706879 /nfs/dbraw/zinc/70/68/79/643706879.db2.gz RNKQXXBRTMWHIY-ZWKOTPCHSA-N 2 1 288.435 2.494 20 0 CEADMP C(C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923427819 643707019 /nfs/dbraw/zinc/70/70/19/643707019.db2.gz KGMRYSMKKKEUIO-FBVQUNGASA-N 3 1 291.483 2.373 20 0 CEADMP CC1(C)CCc2onc(C[N@H+]3CC[C@H](CC[NH3+])C3)c2C1 ZINC000923479426 643730729 /nfs/dbraw/zinc/73/07/29/643730729.db2.gz OUHRCVBSIROQLO-LBPRGKRZSA-N 2 1 277.412 2.360 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)nc1Cl ZINC000923479793 643730884 /nfs/dbraw/zinc/73/08/84/643730884.db2.gz SOWDKTBPZDFFBF-NSHDSACASA-N 2 1 253.777 2.214 20 0 CEADMP CSc1ccc(NC(=O)C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923486185 643732740 /nfs/dbraw/zinc/73/27/40/643732740.db2.gz CNPZLBFQSDWLAO-LBPRGKRZSA-N 2 1 293.436 2.018 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000923484903 643733297 /nfs/dbraw/zinc/73/32/97/643733297.db2.gz CRRWWBBDELGMNW-QGZVFWFLSA-N 2 1 276.424 2.307 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000923490485 643735359 /nfs/dbraw/zinc/73/53/59/643735359.db2.gz CYERXOZLSQJMHG-HNNXBMFYSA-N 2 1 289.423 2.099 20 0 CEADMP C[C@H]1C[N@@H+](CCc2cccc(F)c2)CC[C@@H]1C[NH3+] ZINC000923492354 643735988 /nfs/dbraw/zinc/73/59/88/643735988.db2.gz NNZKWKKJGHEKAS-GXTWGEPZSA-N 2 1 250.361 2.285 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ncccc2Cl)CC[C@H]1C[NH3+] ZINC000923491081 643736088 /nfs/dbraw/zinc/73/60/88/643736088.db2.gz QQBNOKQSPOEKQL-QWRGUYRKSA-N 2 1 253.777 2.152 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000923490708 643736205 /nfs/dbraw/zinc/73/62/05/643736205.db2.gz VRMRRMVZPCFAIU-OAHLLOKOSA-N 2 1 262.397 2.299 20 0 CEADMP Cc1cc(C)c(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(C)n1 ZINC000923492945 643737462 /nfs/dbraw/zinc/73/74/62/643737462.db2.gz ZQCYXNJICARIJP-IUODEOHRSA-N 2 1 261.413 2.424 20 0 CEADMP COc1ccc(COCC[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923497283 643740012 /nfs/dbraw/zinc/74/00/12/643740012.db2.gz KVXBYCCEUSBXSC-HOCLYGCPSA-N 2 1 292.423 2.129 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499657 643740523 /nfs/dbraw/zinc/74/05/23/643740523.db2.gz MQLOYVMRIAAPBT-PMPSAXMXSA-N 2 1 297.487 2.378 20 0 CEADMP C(C[NH2+]C1CC1)CN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923509471 643745303 /nfs/dbraw/zinc/74/53/03/643745303.db2.gz PWLSZZIOCTVHQV-OAHLLOKOSA-N 2 1 279.472 2.230 20 0 CEADMP C[C@@]1(Cc2cccs2)CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000923530705 643753283 /nfs/dbraw/zinc/75/32/83/643753283.db2.gz IBXAHKJSNPMTGT-INIZCTEOSA-N 2 1 293.480 2.050 20 0 CEADMP Cc1csc(C[C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000923552088 643759007 /nfs/dbraw/zinc/75/90/07/643759007.db2.gz SVASZPCJKWAUIP-UONOGXRCSA-N 2 1 279.453 2.316 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000923553930 643760258 /nfs/dbraw/zinc/76/02/58/643760258.db2.gz LLYRNQUVHCAZPK-HNNXBMFYSA-N 2 1 254.418 2.397 20 0 CEADMP C[N@H+](Cc1nc(-c2cccs2)no1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923555733 643761018 /nfs/dbraw/zinc/76/10/18/643761018.db2.gz UZUOCLAHOXVNEO-MNOVXSKESA-N 2 1 292.408 2.357 20 0 CEADMP CCn1cnc2c1CC[N@@H+](CCCCCCC[NH3+])C2 ZINC000923557296 643764403 /nfs/dbraw/zinc/76/44/03/643764403.db2.gz LCJHHGHJAHLNNZ-UHFFFAOYSA-N 2 1 264.417 2.170 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000111564275 643897117 /nfs/dbraw/zinc/89/71/17/643897117.db2.gz VROHMZADDRGTGB-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000111564275 643897121 /nfs/dbraw/zinc/89/71/21/643897121.db2.gz VROHMZADDRGTGB-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000111564275 643897124 /nfs/dbraw/zinc/89/71/24/643897124.db2.gz VROHMZADDRGTGB-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP COc1ccc(OCC[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877740629 650884224 /nfs/dbraw/zinc/88/42/24/650884224.db2.gz KPGNNLQTSLUEOG-PBHICJAKSA-N 2 1 290.407 2.100 20 0 CEADMP COc1ccc(OCC[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877740629 650884229 /nfs/dbraw/zinc/88/42/29/650884229.db2.gz KPGNNLQTSLUEOG-PBHICJAKSA-N 2 1 290.407 2.100 20 0 CEADMP COc1ccc(OCC[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877740629 650884232 /nfs/dbraw/zinc/88/42/32/650884232.db2.gz KPGNNLQTSLUEOG-PBHICJAKSA-N 2 1 290.407 2.100 20 0 CEADMP COc1ccc(OCC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877740629 650884236 /nfs/dbraw/zinc/88/42/36/650884236.db2.gz KPGNNLQTSLUEOG-PBHICJAKSA-N 2 1 290.407 2.100 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)C3CC3)C2)CC1 ZINC000838813069 644027343 /nfs/dbraw/zinc/02/73/43/644027343.db2.gz UOJVPKFWFXANAJ-WBVHZDCISA-N 2 1 280.456 2.201 20 0 CEADMP C[N@H+](C[C@H](O)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000838896096 644072927 /nfs/dbraw/zinc/07/29/27/644072927.db2.gz XQSLXEGQDLGJNK-SFHVURJKSA-N 2 1 288.435 2.354 20 0 CEADMP C[N@@H+](C[C@H](O)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000838896096 644072930 /nfs/dbraw/zinc/07/29/30/644072930.db2.gz XQSLXEGQDLGJNK-SFHVURJKSA-N 2 1 288.435 2.354 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000838897609 644074271 /nfs/dbraw/zinc/07/42/71/644074271.db2.gz HWWAXGPUZVAARS-CYBMUJFWSA-N 2 1 282.428 2.040 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC(C)(C)CC(=O)OCC ZINC000839094161 644145910 /nfs/dbraw/zinc/14/59/10/644145910.db2.gz SNACLKQTICQAGT-AWEZNQCLSA-N 2 1 284.444 2.430 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CC(C)(C)CC(=O)OCC ZINC000839094161 644145914 /nfs/dbraw/zinc/14/59/14/644145914.db2.gz SNACLKQTICQAGT-AWEZNQCLSA-N 2 1 284.444 2.430 20 0 CEADMP Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000839164673 644173857 /nfs/dbraw/zinc/17/38/57/644173857.db2.gz CEDXURLENNUVBD-UHFFFAOYSA-N 2 1 289.770 2.319 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCCCCCO ZINC000749547519 644272337 /nfs/dbraw/zinc/27/23/37/644272337.db2.gz XXKUWELWZZRJBH-IXDOHACOSA-N 2 1 298.471 2.113 20 0 CEADMP CCC/C(C)=C/C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855345737 644311748 /nfs/dbraw/zinc/31/17/48/644311748.db2.gz HOWDSUFWFBNEBI-ZQHYZAEZSA-N 2 1 283.460 2.121 20 0 CEADMP CCC/C(C)=C/C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855345737 644311758 /nfs/dbraw/zinc/31/17/58/644311758.db2.gz HOWDSUFWFBNEBI-ZQHYZAEZSA-N 2 1 283.460 2.121 20 0 CEADMP CC1([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC(F)(F)C1 ZINC000877834694 650926903 /nfs/dbraw/zinc/92/69/03/650926903.db2.gz VCPISWCUCJLIBY-CYBMUJFWSA-N 2 1 288.382 2.407 20 0 CEADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCF)C2)ccn1 ZINC000856590589 644695617 /nfs/dbraw/zinc/69/56/17/644695617.db2.gz WUINZXJIRIPAOZ-INIZCTEOSA-N 2 1 295.402 2.346 20 0 CEADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCF)C2)ccn1 ZINC000856590589 644695618 /nfs/dbraw/zinc/69/56/18/644695618.db2.gz WUINZXJIRIPAOZ-INIZCTEOSA-N 2 1 295.402 2.346 20 0 CEADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCF)C2)ccn1 ZINC000856590589 644695623 /nfs/dbraw/zinc/69/56/23/644695623.db2.gz WUINZXJIRIPAOZ-INIZCTEOSA-N 2 1 295.402 2.346 20 0 CEADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000759121153 644986753 /nfs/dbraw/zinc/98/67/53/644986753.db2.gz MYPCFEFYPUGJCG-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP C[C@H](CNc1cc[nH+]c(CO)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000858350362 645128389 /nfs/dbraw/zinc/12/83/89/645128389.db2.gz TZUZNFNQOCGDNG-CHWSQXEVSA-N 2 1 263.385 2.106 20 0 CEADMP CCOC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000858507712 645185523 /nfs/dbraw/zinc/18/55/23/645185523.db2.gz KRSZFUBKYWENQC-CAOSSQGBSA-N 2 1 292.423 2.101 20 0 CEADMP Cc1[nH+]ccn1CCOC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000771975459 646579528 /nfs/dbraw/zinc/57/95/28/646579528.db2.gz DWZUZQQAAHNCPL-HNNXBMFYSA-N 2 1 293.411 2.245 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000863543816 646751658 /nfs/dbraw/zinc/75/16/58/646751658.db2.gz ZROXIQCWQTUQAS-CLPYTZEMSA-N 2 1 272.483 2.096 20 0 CEADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC000774214766 646820194 /nfs/dbraw/zinc/82/01/94/646820194.db2.gz UIAPOPGXWQYSNK-WWTUQBGBSA-N 2 1 259.397 2.400 20 0 CEADMP CC(C)([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(F)c1 ZINC000775444225 646955293 /nfs/dbraw/zinc/95/52/93/646955293.db2.gz JPOIEYISJSXOBO-OAHLLOKOSA-N 2 1 280.387 2.107 20 0 CEADMP [NH2+]=C(NCCC1CC1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000864451515 647007429 /nfs/dbraw/zinc/00/74/29/647007429.db2.gz HBDSCZSCAYEBIF-CQSZACIVSA-N 2 1 290.411 2.331 20 0 CEADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCCC[N@H+]1CCCC[C@@H]1C ZINC000864451396 647007750 /nfs/dbraw/zinc/00/77/50/647007750.db2.gz HQJPJXJVRCRTLB-RDBSUJKOSA-N 2 1 266.433 2.163 20 0 CEADMP C[C@H]1C[C@H]1NC(=[NH2+])NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000864453474 647009287 /nfs/dbraw/zinc/00/92/87/647009287.db2.gz WTNIIICWFXRZOK-HZSPNIEDSA-N 2 1 266.433 2.021 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864455710 647010554 /nfs/dbraw/zinc/01/05/54/647010554.db2.gz AWAHUHKUNJOPBT-CQSZACIVSA-N 2 1 266.433 2.021 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1COC2(CCCCC2)O1 ZINC000776168051 647030697 /nfs/dbraw/zinc/03/06/97/647030697.db2.gz AIKANXJNXXYTDD-PMPSAXMXSA-N 2 1 294.439 2.279 20 0 CEADMP CC(=O)NCC1CCC([NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000865618426 647390102 /nfs/dbraw/zinc/39/01/02/647390102.db2.gz XPGBUQLZUZDMPA-UHFFFAOYSA-N 2 1 297.487 2.249 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CC1(C)OCCO1 ZINC000865673329 647417962 /nfs/dbraw/zinc/41/79/62/647417962.db2.gz YSGXVEHMTSMOCI-UONOGXRCSA-N 2 1 284.444 2.238 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000865784308 647462808 /nfs/dbraw/zinc/46/28/08/647462808.db2.gz ZAGHZPFWXPGPBW-HZMVEIRTSA-N 2 1 278.440 2.266 20 0 CEADMP Cc1cc(NC[C@@H]2c3ccccc3C[N@@H+]2C)cc[nH+]1 ZINC000866193395 647658799 /nfs/dbraw/zinc/65/87/99/647658799.db2.gz CLYSJGYNQYHXPN-MRXNPFEDSA-N 2 1 253.349 2.411 20 0 CEADMP C[N@H+]1Cc2ccccc2[C@H]1CNc1cc[nH+]c(CO)c1 ZINC000866195208 647659739 /nfs/dbraw/zinc/65/97/39/647659739.db2.gz PBFKTJNFKXYBNM-MRXNPFEDSA-N 2 1 269.348 2.173 20 0 CEADMP CC(=O)Nc1cccc2c1C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000866684277 647868481 /nfs/dbraw/zinc/86/84/81/647868481.db2.gz KVWNQWBUGMMZKX-AWEZNQCLSA-N 2 1 287.407 2.003 20 0 CEADMP CC(=O)Nc1cccc2c1C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000866684277 647868485 /nfs/dbraw/zinc/86/84/85/647868485.db2.gz KVWNQWBUGMMZKX-AWEZNQCLSA-N 2 1 287.407 2.003 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866704860 647876346 /nfs/dbraw/zinc/87/63/46/647876346.db2.gz YRHWFDBTCDJPFJ-LSDHHAIUSA-N 2 1 268.470 2.451 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000866709982 647879227 /nfs/dbraw/zinc/87/92/27/647879227.db2.gz VJRFAHBKIQNDSC-AAEUAGOBSA-N 2 1 276.371 2.108 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]3[NH2+]CC[C@@H]32)c1C ZINC000866725917 647884511 /nfs/dbraw/zinc/88/45/11/647884511.db2.gz RESHYUWRWWQNIK-ZFWWWQNUSA-N 2 1 275.396 2.033 20 0 CEADMP CN(C)c1cc[nH+]c(NCC(C)(C)C[NH+]2CCCC2)n1 ZINC000790817964 648452575 /nfs/dbraw/zinc/45/25/75/648452575.db2.gz HJRXSZQLEQOGQJ-UHFFFAOYSA-N 2 1 277.416 2.077 20 0 CEADMP Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)n(C)n1 ZINC000793533156 648772055 /nfs/dbraw/zinc/77/20/55/648772055.db2.gz MQWOOZLDSJGYSG-IHRRRGAJSA-N 2 1 264.417 2.252 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[NH2+]CC2CC2)C1 ZINC000870872761 648939378 /nfs/dbraw/zinc/93/93/78/648939378.db2.gz IWUUEESMQOMMDG-CQSZACIVSA-N 2 1 295.471 2.003 20 0 CEADMP Cc1ncc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000871785014 649184007 /nfs/dbraw/zinc/18/40/07/649184007.db2.gz FANIFHATXSTKNL-YOGCLGLASA-N 2 1 294.424 2.323 20 0 CEADMP Cc1ncc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000871785014 649184013 /nfs/dbraw/zinc/18/40/13/649184013.db2.gz FANIFHATXSTKNL-YOGCLGLASA-N 2 1 294.424 2.323 20 0 CEADMP Cc1ncccc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785890 649185010 /nfs/dbraw/zinc/18/50/10/649185010.db2.gz ZYQNTQJSPFAYQC-GOOCMWNKSA-N 2 1 288.395 2.261 20 0 CEADMP Cc1ncccc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785890 649185014 /nfs/dbraw/zinc/18/50/14/649185014.db2.gz ZYQNTQJSPFAYQC-GOOCMWNKSA-N 2 1 288.395 2.261 20 0 CEADMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C(C)(C)CC ZINC000872035224 649248563 /nfs/dbraw/zinc/24/85/63/649248563.db2.gz ULVVPEUFNFLZKF-CABCVRRESA-N 2 1 297.487 2.378 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)[C@H](C)C1 ZINC000872106675 649279406 /nfs/dbraw/zinc/27/94/06/649279406.db2.gz JVZUOTUPMVQUCW-MCIONIFRSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126070 649285088 /nfs/dbraw/zinc/28/50/88/649285088.db2.gz IULKOVZRMDHNSM-DKIMLUQUSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872126070 649285090 /nfs/dbraw/zinc/28/50/90/649285090.db2.gz IULKOVZRMDHNSM-DKIMLUQUSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000872142511 649292239 /nfs/dbraw/zinc/29/22/39/649292239.db2.gz YZLKWUZWUPROEZ-MELADBBJSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000872142511 649292242 /nfs/dbraw/zinc/29/22/42/649292242.db2.gz YZLKWUZWUPROEZ-MELADBBJSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154339 649298488 /nfs/dbraw/zinc/29/84/88/649298488.db2.gz XNPOKWWVPHFXQU-FXUDXRNXSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154339 649298489 /nfs/dbraw/zinc/29/84/89/649298489.db2.gz XNPOKWWVPHFXQU-FXUDXRNXSA-N 2 1 266.429 2.123 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CC(=O)N(C1CC1)C1CCCC1 ZINC000872155184 649298792 /nfs/dbraw/zinc/29/87/92/649298792.db2.gz GGEMEMPWDKEBGE-UHFFFAOYSA-N 2 1 295.471 2.371 20 0 CEADMP Cc1noc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156285 649299931 /nfs/dbraw/zinc/29/99/31/649299931.db2.gz HLAPFYZFLDXKIQ-DZGCQCFKSA-N 2 1 292.427 2.498 20 0 CEADMP Cc1noc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156285 649299934 /nfs/dbraw/zinc/29/99/34/649299934.db2.gz HLAPFYZFLDXKIQ-DZGCQCFKSA-N 2 1 292.427 2.498 20 0 CEADMP c1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C2CC2)c[nH+]1 ZINC000872414899 649385223 /nfs/dbraw/zinc/38/52/23/649385223.db2.gz SYBPWPPXNMUDFN-KBPBESRZSA-N 2 1 257.381 2.420 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)CCCCCC[NH3+] ZINC000019505510 649397673 /nfs/dbraw/zinc/39/76/73/649397673.db2.gz NIZYZGNRRXFUTB-HNNXBMFYSA-N 2 1 283.460 2.276 20 0 CEADMP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]cc1C1CC1 ZINC000872544083 649416430 /nfs/dbraw/zinc/41/64/30/649416430.db2.gz CENREDMRIAXLKC-ZFWWWQNUSA-N 2 1 287.407 2.258 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc2ncccc12 ZINC000873139534 649567617 /nfs/dbraw/zinc/56/76/17/649567617.db2.gz AQDDAPLXMPJLKE-UHFFFAOYSA-N 2 1 266.348 2.301 20 0 CEADMP c1ccc([C@@H]2C[C@H]3C[N@H+](CC45CC(C4)C[NH2+]5)C[C@H]32)cc1 ZINC000873211802 649591590 /nfs/dbraw/zinc/59/15/90/649591590.db2.gz BOZWQEDXLIGANQ-RRLSAGSHSA-N 2 1 268.404 2.474 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@H]1CC[NH3+] ZINC000873213708 649592593 /nfs/dbraw/zinc/59/25/93/649592593.db2.gz NLWAMZMXWGGIPN-DOMZBBRYSA-N 3 1 293.480 2.343 20 0 CEADMP C[C@@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)[C@H]1CC[NH3+] ZINC000873213708 649592597 /nfs/dbraw/zinc/59/25/97/649592597.db2.gz NLWAMZMXWGGIPN-DOMZBBRYSA-N 2 1 293.480 2.343 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccnn1C ZINC000873223187 649596887 /nfs/dbraw/zinc/59/68/87/649596887.db2.gz LKSUNZPSTDIMEF-RDBSUJKOSA-N 2 1 264.417 2.382 20 0 CEADMP CC(=O)Nc1ccc2c(c1)C[N@@H+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000873229397 649600639 /nfs/dbraw/zinc/60/06/39/649600639.db2.gz WHFYPGFWMSETFG-QGZVFWFLSA-N 2 1 287.407 2.003 20 0 CEADMP CC(=O)Nc1ccc2c(c1)C[N@H+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000873229397 649600645 /nfs/dbraw/zinc/60/06/45/649600645.db2.gz WHFYPGFWMSETFG-QGZVFWFLSA-N 2 1 287.407 2.003 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000873254554 649611554 /nfs/dbraw/zinc/61/15/54/649611554.db2.gz WQHYCPXHXKDQRC-OWLYRPNTSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000873254554 649611557 /nfs/dbraw/zinc/61/15/57/649611557.db2.gz WQHYCPXHXKDQRC-OWLYRPNTSA-N 3 1 287.451 2.366 20 0 CEADMP C[C@H]([NH2+]C1([C@H]2CCCCO2)CCC1)[C@H]1CCC[NH2+]1 ZINC000873276335 649621975 /nfs/dbraw/zinc/62/19/75/649621975.db2.gz SMDYHLBQOZJAFQ-BFHYXJOUSA-N 2 1 252.402 2.208 20 0 CEADMP C[C@@H]([NH2+]C1CC(Nc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000873296235 649631286 /nfs/dbraw/zinc/63/12/86/649631286.db2.gz VXZANCXKMRODTP-KKOFPSKJSA-N 2 1 259.397 2.360 20 0 CEADMP c1ccc2c(c1)CN[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000873296532 649631765 /nfs/dbraw/zinc/63/17/65/649631765.db2.gz HVNUIEIQWFVHKW-INDMIFKZSA-N 2 1 299.462 2.211 20 0 CEADMP C(CC1CCCCC1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000125114535 649799201 /nfs/dbraw/zinc/79/92/01/649799201.db2.gz ABRKROSHPCTDMR-HZPDHXFCSA-N 2 1 266.429 2.410 20 0 CEADMP C(CC1CCCCC1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000125114535 649799203 /nfs/dbraw/zinc/79/92/03/649799203.db2.gz ABRKROSHPCTDMR-HZPDHXFCSA-N 2 1 266.429 2.410 20 0 CEADMP C=C/C=C\CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000878325544 651068640 /nfs/dbraw/zinc/06/86/40/651068640.db2.gz SSZFFIVKSFQYSB-DJAVDHGHSA-N 2 1 277.456 2.077 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CC2(CCC2)CO1 ZINC000878550465 651127655 /nfs/dbraw/zinc/12/76/55/651127655.db2.gz WIGGWIUHFDPMES-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CC2(CCC2)CO1 ZINC000878550465 651127656 /nfs/dbraw/zinc/12/76/56/651127656.db2.gz WIGGWIUHFDPMES-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP CC(C)C[C@@]1(C)CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878666325 651158856 /nfs/dbraw/zinc/15/88/56/651158856.db2.gz SHXUSKNDQGZTQL-QGZVFWFLSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1conc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878747311 651178148 /nfs/dbraw/zinc/17/81/48/651178148.db2.gz JZKLMHSCOPIUIA-UHFFFAOYSA-N 2 1 272.352 2.090 20 0 CEADMP Cc1conc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878747311 651178150 /nfs/dbraw/zinc/17/81/50/651178150.db2.gz JZKLMHSCOPIUIA-UHFFFAOYSA-N 2 1 272.352 2.090 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCOCC3CCCC3)CC[C@H]21 ZINC000879579312 651326104 /nfs/dbraw/zinc/32/61/04/651326104.db2.gz KUZLJVNHZMFQBH-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCOCC3CCCC3)CC[C@H]21 ZINC000879579312 651326106 /nfs/dbraw/zinc/32/61/06/651326106.db2.gz KUZLJVNHZMFQBH-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCOCC3CCCC3)CC[C@H]21 ZINC000879579312 651326107 /nfs/dbraw/zinc/32/61/07/651326107.db2.gz KUZLJVNHZMFQBH-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCOCC3CCCC3)CC[C@H]21 ZINC000879579312 651326109 /nfs/dbraw/zinc/32/61/09/651326109.db2.gz KUZLJVNHZMFQBH-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCC(C)(C)O3)CC[C@H]21 ZINC000879580094 651326420 /nfs/dbraw/zinc/32/64/20/651326420.db2.gz RJHIDWZBRJVJFI-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCCC(C)(C)O3)CC[C@H]21 ZINC000879580094 651326421 /nfs/dbraw/zinc/32/64/21/651326421.db2.gz RJHIDWZBRJVJFI-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCC(C)(C)O3)CC[C@H]21 ZINC000879580094 651326422 /nfs/dbraw/zinc/32/64/22/651326422.db2.gz RJHIDWZBRJVJFI-QLFBSQMISA-N 2 1 266.429 2.360 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879735139 651344465 /nfs/dbraw/zinc/34/44/65/651344465.db2.gz UGHYDIUGUZCDJU-CQSZACIVSA-N 2 1 263.385 2.273 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2Cl)CC[N@@H+]1C ZINC000128139433 651375510 /nfs/dbraw/zinc/37/55/10/651375510.db2.gz IPGUOBBHRRVKNE-XUJVJEKNSA-N 2 1 282.815 2.446 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccccc2Cl)CC[N@H+]1C ZINC000128139433 651375511 /nfs/dbraw/zinc/37/55/11/651375511.db2.gz IPGUOBBHRRVKNE-XUJVJEKNSA-N 2 1 282.815 2.446 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880189685 651398566 /nfs/dbraw/zinc/39/85/66/651398566.db2.gz HGLHHHRRVPOKMM-SZMVWBNQSA-N 2 1 285.435 2.434 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880189685 651398569 /nfs/dbraw/zinc/39/85/69/651398569.db2.gz HGLHHHRRVPOKMM-SZMVWBNQSA-N 2 1 285.435 2.434 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880189685 651398571 /nfs/dbraw/zinc/39/85/71/651398571.db2.gz HGLHHHRRVPOKMM-SZMVWBNQSA-N 2 1 285.435 2.434 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880189685 651398572 /nfs/dbraw/zinc/39/85/72/651398572.db2.gz HGLHHHRRVPOKMM-SZMVWBNQSA-N 2 1 285.435 2.434 20 0 CEADMP C(C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)C1CCC1 ZINC000880201682 651400486 /nfs/dbraw/zinc/40/04/86/651400486.db2.gz RDPNTUUNVAPRQY-INIZCTEOSA-N 2 1 266.429 2.410 20 0 CEADMP C(C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)C1CCC1 ZINC000880201682 651400487 /nfs/dbraw/zinc/40/04/87/651400487.db2.gz RDPNTUUNVAPRQY-INIZCTEOSA-N 2 1 266.429 2.410 20 0 CEADMP CCO[C@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)C1CC1 ZINC000880259142 651411754 /nfs/dbraw/zinc/41/17/54/651411754.db2.gz NHALJQGGKNRACP-RHSMWYFYSA-N 2 1 289.423 2.407 20 0 CEADMP CC(C)OCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261379 651412100 /nfs/dbraw/zinc/41/21/00/651412100.db2.gz JKUVKUJMUSKJLO-OAHLLOKOSA-N 2 1 277.412 2.407 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880319913 651423955 /nfs/dbraw/zinc/42/39/55/651423955.db2.gz AXKOUWRYVQMHBY-LBPRGKRZSA-N 2 1 276.409 2.299 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880319913 651423956 /nfs/dbraw/zinc/42/39/56/651423956.db2.gz AXKOUWRYVQMHBY-LBPRGKRZSA-N 2 1 276.409 2.299 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2nccs2)C1 ZINC000880319114 651424070 /nfs/dbraw/zinc/42/40/70/651424070.db2.gz AZJZVBBMWSEKNP-QWHCGFSZSA-N 2 1 265.426 2.417 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880319114 651424072 /nfs/dbraw/zinc/42/40/72/651424072.db2.gz AZJZVBBMWSEKNP-QWHCGFSZSA-N 2 1 265.426 2.417 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880319114 651424075 /nfs/dbraw/zinc/42/40/75/651424075.db2.gz AZJZVBBMWSEKNP-QWHCGFSZSA-N 2 1 265.426 2.417 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)c1ccccc1 ZINC000880371863 651431311 /nfs/dbraw/zinc/43/13/11/651431311.db2.gz PABGNNLFTGGHCO-IRXDYDNUSA-N 2 1 276.424 2.310 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)c1ccccc1 ZINC000880371863 651431312 /nfs/dbraw/zinc/43/13/12/651431312.db2.gz PABGNNLFTGGHCO-IRXDYDNUSA-N 2 1 276.424 2.310 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)c1ccccc1 ZINC000880371863 651431313 /nfs/dbraw/zinc/43/13/13/651431313.db2.gz PABGNNLFTGGHCO-IRXDYDNUSA-N 2 1 276.424 2.310 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)c1ccccc1 ZINC000880371863 651431314 /nfs/dbraw/zinc/43/13/14/651431314.db2.gz PABGNNLFTGGHCO-IRXDYDNUSA-N 2 1 276.424 2.310 20 0 CEADMP OC[C@H]1C=CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000880492387 651449789 /nfs/dbraw/zinc/44/97/89/651449789.db2.gz QZRRYQVVKNLJLO-GOSISDBHSA-N 2 1 286.419 2.405 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883186778 652393863 /nfs/dbraw/zinc/39/38/63/652393863.db2.gz YXJVHAPMNARELK-MRXNPFEDSA-N 2 1 279.472 2.326 20 0 CEADMP CCC[N@@H+](C[C@H]1CCC2(CCOCC2)O1)C1CC[NH2+]CC1 ZINC000883424215 652465363 /nfs/dbraw/zinc/46/53/63/652465363.db2.gz KOSJMXJUIYSKKW-MRXNPFEDSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000883430063 652467221 /nfs/dbraw/zinc/46/72/21/652467221.db2.gz MLGLJXSKRLMSJH-AAVRWANBSA-N 2 1 254.418 2.310 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@H]1CCC2(CCC2)O1 ZINC000883434979 652468974 /nfs/dbraw/zinc/46/89/74/652468974.db2.gz GYHNSEWRJCLIBV-SHARSMKWSA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@H]1CCC2(CCC2)O1 ZINC000883434979 652468976 /nfs/dbraw/zinc/46/89/76/652468976.db2.gz GYHNSEWRJCLIBV-SHARSMKWSA-N 2 1 264.413 2.291 20 0 CEADMP C[N@@H+](CCOCC[NH3+])C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883437130 652469586 /nfs/dbraw/zinc/46/95/86/652469586.db2.gz KCHNNQUHAPKQLF-DLBZAZTESA-N 2 1 292.423 2.204 20 0 CEADMP Cc1nonc1C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000883441778 652471269 /nfs/dbraw/zinc/47/12/69/652471269.db2.gz XEISUNPHURDDLN-DZGCQCFKSA-N 2 1 292.427 2.498 20 0 CEADMP CCCC[N@@H+](C)CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925482131 652614721 /nfs/dbraw/zinc/61/47/21/652614721.db2.gz LLJOQIKVLZEMNO-KBPBESRZSA-N 2 1 255.450 2.214 20 0 CEADMP CCCCN(C)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925482131 652614723 /nfs/dbraw/zinc/61/47/23/652614723.db2.gz LLJOQIKVLZEMNO-KBPBESRZSA-N 2 1 255.450 2.214 20 0 CEADMP C[C@H](C(=O)OCCC[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000800171702 652672499 /nfs/dbraw/zinc/67/24/99/652672499.db2.gz SVOPWABGRSRGQP-QLFBSQMISA-N 2 1 282.428 2.277 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000884393762 652831367 /nfs/dbraw/zinc/83/13/67/652831367.db2.gz KWUKPANNHHVKPR-KFWWJZLASA-N 2 1 295.471 2.129 20 0 CEADMP OCC[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994671 805598664 /nfs/dbraw/zinc/59/86/64/805598664.db2.gz JWCSXONZFMJEQF-NAZJXLNTSA-N 2 1 292.467 2.486 20 0 CEADMP OCC[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167994671 805598668 /nfs/dbraw/zinc/59/86/68/805598668.db2.gz JWCSXONZFMJEQF-NAZJXLNTSA-N 2 1 292.467 2.486 20 0 CEADMP OCC[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167994671 805598672 /nfs/dbraw/zinc/59/86/72/805598672.db2.gz JWCSXONZFMJEQF-NAZJXLNTSA-N 2 1 292.467 2.486 20 0 CEADMP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001271279048 805906484 /nfs/dbraw/zinc/90/64/84/805906484.db2.gz WDBYVRAFALSVJG-HUUCEWRRSA-N 2 1 283.460 2.001 20 0 CEADMP C[NH+](C)CCCCC(=O)N1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001271676282 806018181 /nfs/dbraw/zinc/01/81/81/806018181.db2.gz MWTQVVMJXAGTGF-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001088316827 806113053 /nfs/dbraw/zinc/11/30/53/806113053.db2.gz KGGZCYSMAGJQOJ-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCCC[C@](O)(CF)C2)CC1 ZINC001168313658 806646479 /nfs/dbraw/zinc/64/64/79/806646479.db2.gz FVJVNKZWUVSCDP-NRXISQOPSA-N 2 1 272.408 2.046 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](N3CCCCC3)C2)CC1 ZINC001168324735 806653490 /nfs/dbraw/zinc/65/34/90/806653490.db2.gz VUPOEAUZYUYCNT-OFLPRAFFSA-N 2 1 279.472 2.419 20 0 CEADMP CCCCC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(=O)NC ZINC001168362956 806746460 /nfs/dbraw/zinc/74/64/60/806746460.db2.gz NNXWOUMBBMEJQS-INIZCTEOSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168365981 806783717 /nfs/dbraw/zinc/78/37/17/806783717.db2.gz HINLDSTVTWAUFS-KRWDZBQOSA-N 2 1 279.472 2.181 20 0 CEADMP CC1(C)C[N@H+](C2CC[NH+](CC3CC3)CC2)[C@@](C)(CO)C1 ZINC001168373339 806972202 /nfs/dbraw/zinc/97/22/02/806972202.db2.gz OVJCEBCEYRLJHH-QGZVFWFLSA-N 2 1 280.456 2.344 20 0 CEADMP CC1(C)C[N@@H+](C2CC[NH+](CC3CC3)CC2)[C@@](C)(CO)C1 ZINC001168373339 806972204 /nfs/dbraw/zinc/97/22/04/806972204.db2.gz OVJCEBCEYRLJHH-QGZVFWFLSA-N 2 1 280.456 2.344 20 0 CEADMP Cc1ccc([C@H](C)CC[N@@H+](C)CCN2CC[NH+](C)CC2)o1 ZINC001208169152 802373551 /nfs/dbraw/zinc/37/35/51/802373551.db2.gz QROVCXIQJALMHO-OAHLLOKOSA-N 2 1 293.455 2.261 20 0 CEADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccnnc2)CC1 ZINC001139983167 802452657 /nfs/dbraw/zinc/45/26/57/802452657.db2.gz NTUXOOYAYZKCML-UHFFFAOYSA-N 2 1 262.401 2.029 20 0 CEADMP C[C@@H]1CC(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000724506238 802467729 /nfs/dbraw/zinc/46/77/29/802467729.db2.gz FPHFGNBGJDWAIB-WZRBSPASSA-N 2 1 276.371 2.106 20 0 CEADMP CC1=CC[C@H](CC[N@@H+]2CCO[C@@H](C[NH3+])C2)C1(C)C ZINC001210399940 802679632 /nfs/dbraw/zinc/67/96/32/802679632.db2.gz NGXGMEFGOTTWCQ-KGLIPLIRSA-N 2 1 252.402 2.028 20 0 CEADMP CC1=CC[C@H](CC[N@H+]2CCO[C@@H](C[NH3+])C2)C1(C)C ZINC001210399940 802679636 /nfs/dbraw/zinc/67/96/36/802679636.db2.gz NGXGMEFGOTTWCQ-KGLIPLIRSA-N 2 1 252.402 2.028 20 0 CEADMP O=C1CC(Nc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)C1 ZINC001167341364 802708694 /nfs/dbraw/zinc/70/86/94/802708694.db2.gz UQVXQXFXBVFURR-AWEZNQCLSA-N 2 1 298.390 2.494 20 0 CEADMP C[NH2+]Cc1ccc(Nc2c(N)cc[nH+]c2OC)cc1 ZINC001211128566 802782681 /nfs/dbraw/zinc/78/26/81/802782681.db2.gz IGZYVBYHODAAIO-UHFFFAOYSA-N 2 1 258.325 2.135 20 0 CEADMP CO[C@H](C[N@@H+](C)C1(C[NH3+])CCCCC1)C1CCC1 ZINC000692289827 802800586 /nfs/dbraw/zinc/80/05/86/802800586.db2.gz POTKYZFLEOWNNT-CQSZACIVSA-N 2 1 254.418 2.395 20 0 CEADMP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001266695546 802847815 /nfs/dbraw/zinc/84/78/15/802847815.db2.gz YXNIAMBLLBPYAP-XHSDSOJGSA-N 2 1 295.471 2.288 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000723610409 802903125 /nfs/dbraw/zinc/90/31/25/802903125.db2.gz RJSONDSDTSCLGD-IIAWOOMASA-N 2 1 266.429 2.266 20 0 CEADMP CCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001266813006 802917372 /nfs/dbraw/zinc/91/73/72/802917372.db2.gz DASSNOYFKXNOGP-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723676682 802923850 /nfs/dbraw/zinc/92/38/50/802923850.db2.gz OZNOMIKEMDINGX-HNNXBMFYSA-N 2 1 262.397 2.353 20 0 CEADMP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001266855962 802946334 /nfs/dbraw/zinc/94/63/34/802946334.db2.gz IHYIKZMXKAHYOH-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C[C@H]1CC[NH3+] ZINC000723886867 802963859 /nfs/dbraw/zinc/96/38/59/802963859.db2.gz MXNAPOJMNIUPKP-KFWWJZLASA-N 2 1 266.429 2.252 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)c1ccccc1 ZINC000723890761 802964971 /nfs/dbraw/zinc/96/49/71/802964971.db2.gz HZWZMDFQYBQIQP-FVQBIDKESA-N 2 1 262.397 2.291 20 0 CEADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(Cl)c2)C[C@H]1CC[NH3+] ZINC000723892228 802965127 /nfs/dbraw/zinc/96/51/27/802965127.db2.gz QEWTXUQUYSBFFT-VXGBXAGGSA-N 2 1 295.814 2.195 20 0 CEADMP C[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1CC[NH3+] ZINC000723890522 802965241 /nfs/dbraw/zinc/96/52/41/802965241.db2.gz HQDFEHZQYNMGQB-GDBMZVCRSA-N 2 1 262.397 2.120 20 0 CEADMP C[C@@]1(C[NH2+]Cc2cn[nH]c2)CC[N@H+](Cc2ccccc2)C1 ZINC000693496092 802982100 /nfs/dbraw/zinc/98/21/00/802982100.db2.gz QQZMMSQHHAZJEM-KRWDZBQOSA-N 2 1 284.407 2.412 20 0 CEADMP C[C@@]1(C[NH2+]Cc2cn[nH]c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000693496092 802982104 /nfs/dbraw/zinc/98/21/04/802982104.db2.gz QQZMMSQHHAZJEM-KRWDZBQOSA-N 2 1 284.407 2.412 20 0 CEADMP C1CC1[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCOC1 ZINC000723978159 802982695 /nfs/dbraw/zinc/98/26/95/802982695.db2.gz OJUXQARDJXEQIY-PBHICJAKSA-N 2 1 278.440 2.408 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCOC1 ZINC000724012806 803002448 /nfs/dbraw/zinc/00/24/48/803002448.db2.gz QADVHZXDEBTQOD-QXSJWSMHSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCOC1 ZINC000724012806 803002455 /nfs/dbraw/zinc/00/24/55/803002455.db2.gz QADVHZXDEBTQOD-QXSJWSMHSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCOC1 ZINC000724015492 803007169 /nfs/dbraw/zinc/00/71/69/803007169.db2.gz XMQLVGYCCZEGAO-CJNGLKHVSA-N 2 1 266.429 2.408 20 0 CEADMP FC(F)(F)[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCS1 ZINC000721486674 803029162 /nfs/dbraw/zinc/02/91/62/803029162.db2.gz NPKSTPCISWUQDA-QWRGUYRKSA-N 2 1 282.375 2.356 20 0 CEADMP CCCC[NH2+][C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001266994268 803043908 /nfs/dbraw/zinc/04/39/08/803043908.db2.gz KFKSTWYRQKXYBI-GOEBONIOSA-N 2 1 291.439 2.184 20 0 CEADMP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000382672305 803045128 /nfs/dbraw/zinc/04/51/28/803045128.db2.gz XKIFQOFHCQKOJW-MRXNPFEDSA-N 2 1 267.461 2.456 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000382672305 803045134 /nfs/dbraw/zinc/04/51/34/803045134.db2.gz XKIFQOFHCQKOJW-MRXNPFEDSA-N 2 1 267.461 2.456 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693586135 803139274 /nfs/dbraw/zinc/13/92/74/803139274.db2.gz RSYUSIZUSCSSRO-RYQLBKOJSA-N 2 1 287.451 2.320 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693586135 803139279 /nfs/dbraw/zinc/13/92/79/803139279.db2.gz RSYUSIZUSCSSRO-RYQLBKOJSA-N 2 1 287.451 2.320 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000693586135 803139283 /nfs/dbraw/zinc/13/92/83/803139283.db2.gz RSYUSIZUSCSSRO-RYQLBKOJSA-N 2 1 287.451 2.320 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC=C(C)C)CC1 ZINC001167640310 803229079 /nfs/dbraw/zinc/22/90/79/803229079.db2.gz MIWYDPREIRHUCN-UHFFFAOYSA-N 2 1 295.471 2.171 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000693710842 803248676 /nfs/dbraw/zinc/24/86/76/803248676.db2.gz XOLBEGFBQSMDAA-LVQVYYBASA-N 2 1 279.472 2.085 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000693710842 803248688 /nfs/dbraw/zinc/24/86/88/803248688.db2.gz XOLBEGFBQSMDAA-LVQVYYBASA-N 3 1 279.472 2.085 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000693710842 803248692 /nfs/dbraw/zinc/24/86/92/803248692.db2.gz XOLBEGFBQSMDAA-LVQVYYBASA-N 3 1 279.472 2.085 20 0 CEADMP C(C[N@H+]1CC[C@@H]2OCC[C@@H]2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000724823602 803306320 /nfs/dbraw/zinc/30/63/20/803306320.db2.gz QKNCJIAKYBEHEH-USNXZVQNSA-N 2 1 264.413 2.018 20 0 CEADMP CCCC[N@@H+](C)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001204611333 803350335 /nfs/dbraw/zinc/35/03/35/803350335.db2.gz LJHGVCIBOUBIPA-UHFFFAOYSA-N 2 1 275.440 2.324 20 0 CEADMP CCC(CC)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001267374688 803427835 /nfs/dbraw/zinc/42/78/35/803427835.db2.gz JDMQQUVNZQGDLB-JKSUJKDBSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCCC[NH3+] ZINC001217884572 803485134 /nfs/dbraw/zinc/48/51/34/803485134.db2.gz QONYDOPVHWXKKT-HOCLYGCPSA-N 2 1 262.397 2.262 20 0 CEADMP COc1nccc2cc(NC(=[NH2+])SCC[NH3+])ccc21 ZINC001167913676 803504110 /nfs/dbraw/zinc/50/41/10/803504110.db2.gz CPGSCBUQYYNWGT-UHFFFAOYSA-N 2 1 276.365 2.282 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C[C@H]1C(F)(F)F ZINC000715394481 814951708 /nfs/dbraw/zinc/95/17/08/814951708.db2.gz NZVYTBOHPSSGKX-XQHKEYJVSA-N 2 1 292.345 2.013 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C[C@H]1C(F)(F)F ZINC000715394481 814951714 /nfs/dbraw/zinc/95/17/14/814951714.db2.gz NZVYTBOHPSSGKX-XQHKEYJVSA-N 2 1 292.345 2.013 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CC[C@@H](C3CC3)O1)C2 ZINC000715395149 814953414 /nfs/dbraw/zinc/95/34/14/814953414.db2.gz QAFYIIBZIZDMLX-VGWMRTNUSA-N 2 1 264.413 2.005 20 0 CEADMP CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267748790 803705260 /nfs/dbraw/zinc/70/52/60/803705260.db2.gz BRFKTAXEBLLINW-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000925643353 803814510 /nfs/dbraw/zinc/81/45/10/803814510.db2.gz FULHFRDFFHQEOM-YGRLFVJLSA-N 2 1 254.324 2.237 20 0 CEADMP CC[C@H](CCC(=O)OC)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222232497 803816406 /nfs/dbraw/zinc/81/64/06/803816406.db2.gz VLVTYNXVICHFDM-ZBFHGGJFSA-N 2 1 282.428 2.184 20 0 CEADMP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@H]1CCCCN1 ZINC000715553489 814979259 /nfs/dbraw/zinc/97/92/59/814979259.db2.gz RUDPLGQTWAJKKC-YHNBSYBMSA-N 2 1 267.461 2.370 20 0 CEADMP C[NH+](C)C1(C)CCC([NH2+][C@H]2C[C@@H](N)C23CCC3)CC1 ZINC000715566763 814979920 /nfs/dbraw/zinc/97/99/20/814979920.db2.gz BFKIQGZUUWGUDL-FUUBYGMNSA-N 2 1 265.445 2.109 20 0 CEADMP COc1cncc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000715561364 814980429 /nfs/dbraw/zinc/98/04/29/814980429.db2.gz JTFLWPOYCROJGX-ZIAGYGMSSA-N 2 1 263.385 2.053 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000125554110 804109823 /nfs/dbraw/zinc/10/98/23/804109823.db2.gz WZCJJGLMPUHLQG-ZDUSSCGKSA-N 2 1 255.365 2.406 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC)CCCCC1 ZINC001115562621 804150381 /nfs/dbraw/zinc/15/03/81/804150381.db2.gz CPNXFINXJPZCAB-OAHLLOKOSA-N 2 1 295.471 2.289 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722327207 804292461 /nfs/dbraw/zinc/29/24/61/804292461.db2.gz ZGUJDGBMWCWGQZ-AQBKWJQSSA-N 2 1 264.413 2.288 20 0 CEADMP COc1c(F)cccc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001143524149 804304531 /nfs/dbraw/zinc/30/45/31/804304531.db2.gz OHTFHFVCEOHLSI-OCCSQVGLSA-N 2 1 278.371 2.218 20 0 CEADMP COc1c(F)cccc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001143524149 804304541 /nfs/dbraw/zinc/30/45/41/804304541.db2.gz OHTFHFVCEOHLSI-OCCSQVGLSA-N 2 1 278.371 2.218 20 0 CEADMP COc1c(F)cccc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001143524149 804304551 /nfs/dbraw/zinc/30/45/51/804304551.db2.gz OHTFHFVCEOHLSI-OCCSQVGLSA-N 2 1 278.371 2.218 20 0 CEADMP COc1c(F)cccc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001143524149 804304560 /nfs/dbraw/zinc/30/45/60/804304560.db2.gz OHTFHFVCEOHLSI-OCCSQVGLSA-N 2 1 278.371 2.218 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027878584 804314664 /nfs/dbraw/zinc/31/46/64/804314664.db2.gz DQUQQEOSXUSEGM-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001027878584 804314673 /nfs/dbraw/zinc/31/46/73/804314673.db2.gz DQUQQEOSXUSEGM-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001027878584 804314682 /nfs/dbraw/zinc/31/46/82/804314682.db2.gz DQUQQEOSXUSEGM-JKSUJKDBSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C)C1 ZINC001167825160 804384226 /nfs/dbraw/zinc/38/42/26/804384226.db2.gz GKZDQCKSWLZFFL-CABCVRRESA-N 2 1 255.450 2.133 20 0 CEADMP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268086352 804397911 /nfs/dbraw/zinc/39/79/11/804397911.db2.gz LULKONCGSQVJPV-GJZGRUSLSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028180505 804516897 /nfs/dbraw/zinc/51/68/97/804516897.db2.gz BAFKYDMCYWCAHZ-JKSUJKDBSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001028180505 804516903 /nfs/dbraw/zinc/51/69/03/804516903.db2.gz BAFKYDMCYWCAHZ-JKSUJKDBSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001028180505 804516908 /nfs/dbraw/zinc/51/69/08/804516908.db2.gz BAFKYDMCYWCAHZ-JKSUJKDBSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)(C)NC(=O)c1ccc(NC(=[NH2+])SCC[NH3+])cc1 ZINC001167915064 804703782 /nfs/dbraw/zinc/70/37/82/804703782.db2.gz QVVSFBSEZNLTJT-UHFFFAOYSA-N 2 1 294.424 2.253 20 0 CEADMP CC/C=C\CC[NH+]1CC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001268483492 804741313 /nfs/dbraw/zinc/74/13/13/804741313.db2.gz MMGCLBJINMXFME-YPDHSMTDSA-N 2 1 293.455 2.016 20 0 CEADMP CC/C=C\CC[NH+]1CC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001268483492 804741318 /nfs/dbraw/zinc/74/13/18/804741318.db2.gz MMGCLBJINMXFME-YPDHSMTDSA-N 2 1 293.455 2.016 20 0 CEADMP C(C1CC1)[NH+]1CCC(N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC001168379410 807024630 /nfs/dbraw/zinc/02/46/30/807024630.db2.gz JUKCUAWDGLOSRD-KRWDZBQOSA-N 2 1 277.456 2.031 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000710386172 804997385 /nfs/dbraw/zinc/99/73/85/804997385.db2.gz OMYBYXUSGAMBJC-KGLIPLIRSA-N 2 1 297.443 2.070 20 0 CEADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC001168387845 807046142 /nfs/dbraw/zinc/04/61/42/807046142.db2.gz VZMNATVXWRRJND-CJNGLKHVSA-N 2 1 294.439 2.134 20 0 CEADMP CCC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001269620075 805216300 /nfs/dbraw/zinc/21/63/00/805216300.db2.gz YFKJGXQQLXGZSN-UXLLHSPISA-N 2 1 295.471 2.001 20 0 CEADMP CC/C=C\CC[NH+]1CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269881763 805276130 /nfs/dbraw/zinc/27/61/30/805276130.db2.gz OTOCVQQHYBOWHD-HLRDLLSLSA-N 2 1 295.471 2.072 20 0 CEADMP CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845717 805303338 /nfs/dbraw/zinc/30/33/38/805303338.db2.gz ONYALUMVETUSNZ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845717 805303349 /nfs/dbraw/zinc/30/33/49/805303349.db2.gz ONYALUMVETUSNZ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845717 805303355 /nfs/dbraw/zinc/30/33/55/805303355.db2.gz ONYALUMVETUSNZ-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP O[C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167961120 805345999 /nfs/dbraw/zinc/34/59/99/805345999.db2.gz FKZZFMNKLKZGMF-ZCRFILTFSA-N 2 1 278.440 2.142 20 0 CEADMP CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001270275789 805388890 /nfs/dbraw/zinc/38/88/90/805388890.db2.gz MZZOOULXOIOMLR-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP OC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCC1 ZINC001167962482 805399689 /nfs/dbraw/zinc/39/96/89/805399689.db2.gz YHPYBMUXQOKDNM-MQVJKMGUSA-N 2 1 278.440 2.287 20 0 CEADMP C[C@@]1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCOC1 ZINC001167978722 805513450 /nfs/dbraw/zinc/51/34/50/805513450.db2.gz RQGKEKWMIHHMJS-WTXIUTQJSA-N 2 1 264.413 2.160 20 0 CEADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCC[C@@H]1O ZINC001167982866 805518388 /nfs/dbraw/zinc/51/83/88/805518388.db2.gz CXXCRBOSEBAPDA-UXRNWYHQSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC[C@@H]1O ZINC001167982866 805518393 /nfs/dbraw/zinc/51/83/93/805518393.db2.gz CXXCRBOSEBAPDA-UXRNWYHQSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC[C@@H]1O ZINC001167982866 805518399 /nfs/dbraw/zinc/51/83/99/805518399.db2.gz CXXCRBOSEBAPDA-UXRNWYHQSA-N 2 1 292.467 2.485 20 0 CEADMP O[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@H]1F ZINC001167983315 805520673 /nfs/dbraw/zinc/52/06/73/805520673.db2.gz FQUWLAWBQGMXKF-OZSLIKBDSA-N 2 1 296.430 2.187 20 0 CEADMP O[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@H]1F ZINC001167983315 805520676 /nfs/dbraw/zinc/52/06/76/805520676.db2.gz FQUWLAWBQGMXKF-OZSLIKBDSA-N 2 1 296.430 2.187 20 0 CEADMP O[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@H]1F ZINC001167983315 805520678 /nfs/dbraw/zinc/52/06/78/805520678.db2.gz FQUWLAWBQGMXKF-OZSLIKBDSA-N 2 1 296.430 2.187 20 0 CEADMP CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001029099840 805526965 /nfs/dbraw/zinc/52/69/65/805526965.db2.gz WYDCSKFULGFZEJ-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP C(C1CC1)[NH+]1CCC([N@H+]2CC[C@@H]3CCCO[C@H]3C2)CC1 ZINC001168378724 807023473 /nfs/dbraw/zinc/02/34/73/807023473.db2.gz RLNIAHIUEZSBQU-RDJZCZTQSA-N 2 1 278.440 2.362 20 0 CEADMP O=C1CCC[C@H]2C[N@@H+](C3CC[NH+](CC4CC4)CC3)C[C@@H]12 ZINC001168396024 807074374 /nfs/dbraw/zinc/07/43/74/807074374.db2.gz BMXKQOLJRYHHAE-GOEBONIOSA-N 2 1 276.424 2.162 20 0 CEADMP O=C1CCC[C@H]2C[N@H+](C3CC[NH+](CC4CC4)CC3)C[C@@H]12 ZINC001168396024 807074378 /nfs/dbraw/zinc/07/43/78/807074378.db2.gz BMXKQOLJRYHHAE-GOEBONIOSA-N 2 1 276.424 2.162 20 0 CEADMP CO[C@H]1CC[N@H+](C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC001168396750 807076408 /nfs/dbraw/zinc/07/64/08/807076408.db2.gz IQLDGLDEYIBVDP-BBRMVZONSA-N 2 1 266.429 2.360 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)[C@@H]1C ZINC001089061046 807324531 /nfs/dbraw/zinc/32/45/31/807324531.db2.gz VBBYHGGRRZVCAM-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(C)C)[C@@H]1C ZINC001089061046 807324537 /nfs/dbraw/zinc/32/45/37/807324537.db2.gz VBBYHGGRRZVCAM-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(C)C)[C@@H]1C ZINC001089061046 807324543 /nfs/dbraw/zinc/32/45/43/807324543.db2.gz VBBYHGGRRZVCAM-OWCLPIDISA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCC2(CCC2)CO1 ZINC000716299576 815111519 /nfs/dbraw/zinc/11/15/19/815111519.db2.gz BIWJEEVDWCVWAT-MCIONIFRSA-N 2 1 252.402 2.147 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716357028 815118645 /nfs/dbraw/zinc/11/86/45/815118645.db2.gz WGXHXVNLSMXPTN-KGLIPLIRSA-N 2 1 252.402 2.006 20 0 CEADMP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC001205095213 807586881 /nfs/dbraw/zinc/58/68/81/807586881.db2.gz VJQRCMFZBPOCAJ-HNNXBMFYSA-N 2 1 270.380 2.390 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)[C@H]1CCC[NH2+]1 ZINC000716600165 815131594 /nfs/dbraw/zinc/13/15/94/815131594.db2.gz GMTLYUNAYSPTER-BFHYXJOUSA-N 2 1 252.402 2.066 20 0 CEADMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3cccc(O)c3n2)CC1 ZINC001205110618 807674870 /nfs/dbraw/zinc/67/48/70/807674870.db2.gz XEKWCUILWQICQT-CYBMUJFWSA-N 2 1 271.364 2.254 20 0 CEADMP CO[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000699290253 807674981 /nfs/dbraw/zinc/67/49/81/807674981.db2.gz FEWDSUKSEPOCLW-JALIKCBVSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099233942 807776981 /nfs/dbraw/zinc/77/69/81/807776981.db2.gz DXYFBAPWSBNSDU-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099233942 807776987 /nfs/dbraw/zinc/77/69/87/807776987.db2.gz DXYFBAPWSBNSDU-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001099233942 807776992 /nfs/dbraw/zinc/77/69/92/807776992.db2.gz DXYFBAPWSBNSDU-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099245993 807817897 /nfs/dbraw/zinc/81/78/97/807817897.db2.gz PEVZFTOFKMUBQC-CABCVRRESA-N 2 1 297.487 2.343 20 0 CEADMP CCCC[C@H](CC)C[N@@H+]1C[C@@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001235769908 807854460 /nfs/dbraw/zinc/85/44/60/807854460.db2.gz IEGNVYARXCYRQV-IHRRRGAJSA-N 2 1 270.417 2.025 20 0 CEADMP CCCC[C@H](CC)C[N@H+]1C[C@@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001235769908 807854468 /nfs/dbraw/zinc/85/44/68/807854468.db2.gz IEGNVYARXCYRQV-IHRRRGAJSA-N 2 1 270.417 2.025 20 0 CEADMP C[NH+]1CCC2(CC[N@H+](Cc3nccnc3Cl)C2)CC1 ZINC001236620007 808134841 /nfs/dbraw/zinc/13/48/41/808134841.db2.gz KFMVWBLJWMSQOY-UHFFFAOYSA-N 2 1 280.803 2.048 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3nccnc3Cl)C2)CC1 ZINC001236620007 808134845 /nfs/dbraw/zinc/13/48/45/808134845.db2.gz KFMVWBLJWMSQOY-UHFFFAOYSA-N 2 1 280.803 2.048 20 0 CEADMP CC(C)(C[NH2+][C@H]1CCCc2n[nH]cc21)C[NH+]1CCCC1 ZINC000353608424 808165083 /nfs/dbraw/zinc/16/50/83/808165083.db2.gz RLYPYCDUBQKAEE-AWEZNQCLSA-N 2 1 276.428 2.499 20 0 CEADMP [NH3+]CC1([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171530387 815192784 /nfs/dbraw/zinc/19/27/84/815192784.db2.gz QDDSKKGDSLATBN-SECBINFHSA-N 2 1 270.298 2.042 20 0 CEADMP C[NH+]1C(C)(C)CC([NH2+][C@H](C(N)=O)C(C)(C)C)CC1(C)C ZINC001171624482 815206353 /nfs/dbraw/zinc/20/63/53/815206353.db2.gz STQXMIBVQHDYBX-GFCCVEGCSA-N 2 1 283.460 2.127 20 0 CEADMP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCOC[C@@H]2F)CC1(C)C ZINC001171623319 815206464 /nfs/dbraw/zinc/20/64/64/815206464.db2.gz SYKFZCMABKMBMX-STQMWFEESA-N 2 1 272.408 2.354 20 0 CEADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC001171657424 815207940 /nfs/dbraw/zinc/20/79/40/815207940.db2.gz HDJZPHSPVXPSFH-GOEBONIOSA-N 2 1 292.423 2.186 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@]12CCC[C@H]1[NH+](CCC)CC2 ZINC001107617870 808475688 /nfs/dbraw/zinc/47/56/88/808475688.db2.gz SNUVFDYUYJOECB-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC)CC2 ZINC001107617870 808475693 /nfs/dbraw/zinc/47/56/93/808475693.db2.gz SNUVFDYUYJOECB-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001107617870 808475694 /nfs/dbraw/zinc/47/56/94/808475694.db2.gz SNUVFDYUYJOECB-NVXWUHKLSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H]3CCO[C@@H]3C2)CC1(C)C ZINC001171642281 815214705 /nfs/dbraw/zinc/21/47/05/815214705.db2.gz IPDHIIASDUFXPM-GXTWGEPZSA-N 2 1 266.429 2.359 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(Cl)cc2F)CC1 ZINC001205219193 808607472 /nfs/dbraw/zinc/60/74/72/808607472.db2.gz ADSRSLODOVJBDL-AWEZNQCLSA-N 2 1 286.778 2.155 20 0 CEADMP C[C@@H]1C[C@H](N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171759966 815227692 /nfs/dbraw/zinc/22/76/92/815227692.db2.gz OVOUCEQOVWXGJS-YSHGAJCASA-N 2 1 299.462 2.143 20 0 CEADMP C[C@@H]1C[C@H](N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171759966 815227694 /nfs/dbraw/zinc/22/76/94/815227694.db2.gz OVOUCEQOVWXGJS-YSHGAJCASA-N 2 1 299.462 2.143 20 0 CEADMP C[C@@H]1C[C@H](N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171759966 815227697 /nfs/dbraw/zinc/22/76/97/815227697.db2.gz OVOUCEQOVWXGJS-YSHGAJCASA-N 2 1 299.462 2.143 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171759966 815227700 /nfs/dbraw/zinc/22/77/00/815227700.db2.gz OVOUCEQOVWXGJS-YSHGAJCASA-N 2 1 299.462 2.143 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171759966 815227703 /nfs/dbraw/zinc/22/77/03/815227703.db2.gz OVOUCEQOVWXGJS-YSHGAJCASA-N 2 1 299.462 2.143 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171759966 815227708 /nfs/dbraw/zinc/22/77/08/815227708.db2.gz OVOUCEQOVWXGJS-YSHGAJCASA-N 2 1 299.462 2.143 20 0 CEADMP C[NH+](C)[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1(C)C ZINC001120519304 815232397 /nfs/dbraw/zinc/23/23/97/815232397.db2.gz HHIBDIWUMXPYCK-KFWWJZLASA-N 2 1 262.397 2.038 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC001120581953 815241072 /nfs/dbraw/zinc/24/10/72/815241072.db2.gz DATLKEHLRJUPBA-HNNXBMFYSA-N 2 1 298.789 2.364 20 0 CEADMP CC(C)OC1CC([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001116674510 808862752 /nfs/dbraw/zinc/86/27/52/808862752.db2.gz ABWBEVDPLQQPPG-WUCCLRPBSA-N 2 1 254.418 2.405 20 0 CEADMP [NH3+]CCc1c[nH+]cn1[C@H]1Cc2cccc(Cl)c2C1 ZINC001168675831 808906241 /nfs/dbraw/zinc/90/62/41/808906241.db2.gz HYLLURSIJSLKRM-LBPRGKRZSA-N 2 1 261.756 2.378 20 0 CEADMP CC1(C)C[C@@H](N2CC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001171968501 815253307 /nfs/dbraw/zinc/25/33/07/815253307.db2.gz QPNBFBFIGIFQMM-IRXDYDNUSA-N 2 1 287.451 2.463 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](OC)C23CCC3)C1 ZINC000453100329 809036407 /nfs/dbraw/zinc/03/64/07/809036407.db2.gz RPQHRUFJDSCKIB-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000453229049 809042927 /nfs/dbraw/zinc/04/29/27/809042927.db2.gz PETSQKNZARJYGH-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000453229049 809042936 /nfs/dbraw/zinc/04/29/36/809042936.db2.gz PETSQKNZARJYGH-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032960623 809127864 /nfs/dbraw/zinc/12/78/64/809127864.db2.gz XYIJWHJPOGMDLK-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032960623 809127868 /nfs/dbraw/zinc/12/78/68/809127868.db2.gz XYIJWHJPOGMDLK-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032960623 809127871 /nfs/dbraw/zinc/12/78/71/809127871.db2.gz XYIJWHJPOGMDLK-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001032958877 809128017 /nfs/dbraw/zinc/12/80/17/809128017.db2.gz BWNRSIFUDQJKGL-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001032958877 809128019 /nfs/dbraw/zinc/12/80/19/809128019.db2.gz BWNRSIFUDQJKGL-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001032958877 809128021 /nfs/dbraw/zinc/12/80/21/809128021.db2.gz BWNRSIFUDQJKGL-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP CC1(C)C[C@@H](n2nncc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171984925 815265640 /nfs/dbraw/zinc/26/56/40/815265640.db2.gz YTKAWDPLDBUHMN-HNNXBMFYSA-N 2 1 299.422 2.353 20 0 CEADMP CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033098425 809175457 /nfs/dbraw/zinc/17/54/57/809175457.db2.gz HONXYTRYCDOZPR-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033098425 809175459 /nfs/dbraw/zinc/17/54/59/809175459.db2.gz HONXYTRYCDOZPR-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033098425 809175462 /nfs/dbraw/zinc/17/54/62/809175462.db2.gz HONXYTRYCDOZPR-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC001033146527 809200307 /nfs/dbraw/zinc/20/03/07/809200307.db2.gz PWGHANYYGWZZTO-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033146527 809200312 /nfs/dbraw/zinc/20/03/12/809200312.db2.gz PWGHANYYGWZZTO-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033146527 809200314 /nfs/dbraw/zinc/20/03/14/809200314.db2.gz PWGHANYYGWZZTO-CVEARBPZSA-N 2 1 295.471 2.190 20 0 CEADMP COc1cncc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000700046495 809276221 /nfs/dbraw/zinc/27/62/21/809276221.db2.gz DWBIWSMQORAPSF-CQSZACIVSA-N 2 1 277.412 2.302 20 0 CEADMP CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033353936 809278732 /nfs/dbraw/zinc/27/87/32/809278732.db2.gz KDVBSBRAUBNOFB-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033353936 809278736 /nfs/dbraw/zinc/27/87/36/809278736.db2.gz KDVBSBRAUBNOFB-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033353936 809278740 /nfs/dbraw/zinc/27/87/40/809278740.db2.gz KDVBSBRAUBNOFB-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP COc1ccc(CCC[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206154012 815277322 /nfs/dbraw/zinc/27/73/22/815277322.db2.gz GGIGSOXSOBTUMQ-HOTGVXAUSA-N 2 1 280.387 2.389 20 0 CEADMP COc1ccc(CCC[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206154012 815277327 /nfs/dbraw/zinc/27/73/27/815277327.db2.gz GGIGSOXSOBTUMQ-HOTGVXAUSA-N 2 1 280.387 2.389 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cnc3ccccn13)C2 ZINC001172098589 815282461 /nfs/dbraw/zinc/28/24/61/815282461.db2.gz FTULOQWOLNJVIY-QKDCVEJESA-N 2 1 284.407 2.439 20 0 CEADMP C[C@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098170 815283168 /nfs/dbraw/zinc/28/31/68/815283168.db2.gz BBXQQHZMAUGOMA-KHMAMNHCSA-N 2 1 252.402 2.016 20 0 CEADMP CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001033690601 809383482 /nfs/dbraw/zinc/38/34/82/809383482.db2.gz ZBPQVYNLCWIILK-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001033690601 809383485 /nfs/dbraw/zinc/38/34/85/809383485.db2.gz ZBPQVYNLCWIILK-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001033690601 809383486 /nfs/dbraw/zinc/38/34/86/809383486.db2.gz ZBPQVYNLCWIILK-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCCCCO)C2 ZINC001172099982 815284862 /nfs/dbraw/zinc/28/48/62/815284862.db2.gz NZLHBQHUSRNIIQ-QDMKHBRRSA-N 2 1 254.418 2.144 20 0 CEADMP CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033838233 809430538 /nfs/dbraw/zinc/43/05/38/809430538.db2.gz MJXHOMWWIUNHEG-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033838233 809430540 /nfs/dbraw/zinc/43/05/40/809430540.db2.gz MJXHOMWWIUNHEG-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033838233 809430543 /nfs/dbraw/zinc/43/05/43/809430543.db2.gz MJXHOMWWIUNHEG-OWCLPIDISA-N 2 1 295.471 2.050 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H]3OCC[C@H]3C1)C2 ZINC001172129072 815288398 /nfs/dbraw/zinc/28/83/98/815288398.db2.gz VYNOUXUTTCVTHZ-RBZJEDDUSA-N 2 1 264.413 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H]3OCC[C@H]3C1)C2 ZINC001172129072 815288402 /nfs/dbraw/zinc/28/84/02/815288402.db2.gz VYNOUXUTTCVTHZ-RBZJEDDUSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]3OCC[C@H]3C1)C2 ZINC001172129072 815288405 /nfs/dbraw/zinc/28/84/05/815288405.db2.gz VYNOUXUTTCVTHZ-RBZJEDDUSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H]3OCC[C@H]3C1)C2 ZINC001172129072 815288409 /nfs/dbraw/zinc/28/84/09/815288409.db2.gz VYNOUXUTTCVTHZ-RBZJEDDUSA-N 2 1 264.413 2.113 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172102148 815293966 /nfs/dbraw/zinc/29/39/66/815293966.db2.gz KGSNESFLUIQINJ-PHZGNYQRSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001005406912 809438743 /nfs/dbraw/zinc/43/87/43/809438743.db2.gz LDJQAHZJSFHADE-GDBMZVCRSA-N 2 1 295.471 2.050 20 0 CEADMP CCC/C=C/CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128778722 809449122 /nfs/dbraw/zinc/44/91/22/809449122.db2.gz KWMVOHPESOPJSR-FYCOFBDGSA-N 2 1 295.471 2.313 20 0 CEADMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001033926476 809451196 /nfs/dbraw/zinc/45/11/96/809451196.db2.gz CWACNZJAGLZTAI-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001033926476 809451203 /nfs/dbraw/zinc/45/12/03/809451203.db2.gz CWACNZJAGLZTAI-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001033926476 809451208 /nfs/dbraw/zinc/45/12/08/809451208.db2.gz CWACNZJAGLZTAI-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP COC(=O)[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172132800 815290614 /nfs/dbraw/zinc/29/06/14/815290614.db2.gz OLCOCVRCBRKRRE-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC001172132800 815290615 /nfs/dbraw/zinc/29/06/15/815290615.db2.gz OLCOCVRCBRKRRE-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172132800 815290619 /nfs/dbraw/zinc/29/06/19/815290619.db2.gz OLCOCVRCBRKRRE-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172132800 815290624 /nfs/dbraw/zinc/29/06/24/815290624.db2.gz OLCOCVRCBRKRRE-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172102148 815293969 /nfs/dbraw/zinc/29/39/69/815293969.db2.gz KGSNESFLUIQINJ-PHZGNYQRSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172102148 815293970 /nfs/dbraw/zinc/29/39/70/815293970.db2.gz KGSNESFLUIQINJ-PHZGNYQRSA-N 2 1 267.461 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1cncs1)C2 ZINC001172104264 815294600 /nfs/dbraw/zinc/29/46/00/815294600.db2.gz AWZMKYUIYDTUOM-XYYAHUGASA-N 2 1 265.426 2.291 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1cccc(O)c1)C2 ZINC001172104587 815295893 /nfs/dbraw/zinc/29/58/93/815295893.db2.gz DGAWKEMJJGDDKU-JYYAWHABSA-N 2 1 290.407 2.031 20 0 CEADMP CC(C)=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034129130 809526759 /nfs/dbraw/zinc/52/67/59/809526759.db2.gz AHPOLBPCMVYYTR-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034129130 809526765 /nfs/dbraw/zinc/52/67/65/809526765.db2.gz AHPOLBPCMVYYTR-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034129130 809526768 /nfs/dbraw/zinc/52/67/68/809526768.db2.gz AHPOLBPCMVYYTR-HZPDHXFCSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](C(C)C)C1 ZINC001034203638 809549047 /nfs/dbraw/zinc/54/90/47/809549047.db2.gz GKCGAIJNLJATCQ-HOTGVXAUSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034203638 809549054 /nfs/dbraw/zinc/54/90/54/809549054.db2.gz GKCGAIJNLJATCQ-HOTGVXAUSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](C(C)C)C1 ZINC001034203638 809549057 /nfs/dbraw/zinc/54/90/57/809549057.db2.gz GKCGAIJNLJATCQ-HOTGVXAUSA-N 2 1 295.471 2.238 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CO)c1ccc(O)cc1)C2 ZINC001172111136 815301632 /nfs/dbraw/zinc/30/16/32/815301632.db2.gz SLMUCCZQGTVXIT-IVSAIRAKSA-N 2 1 290.407 2.031 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@](C)(O)CC1)C2 ZINC001172114705 815302284 /nfs/dbraw/zinc/30/22/84/815302284.db2.gz SJNGWQXPWUOJLR-FZKCQIBNSA-N 2 1 266.429 2.239 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@](C)(O)CC1)C2 ZINC001172114705 815302291 /nfs/dbraw/zinc/30/22/91/815302291.db2.gz SJNGWQXPWUOJLR-FZKCQIBNSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@](C)(O)CC1)C2 ZINC001172114705 815302298 /nfs/dbraw/zinc/30/22/98/815302298.db2.gz SJNGWQXPWUOJLR-FZKCQIBNSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@](C)(O)CC1)C2 ZINC001172114705 815302307 /nfs/dbraw/zinc/30/23/07/815302307.db2.gz SJNGWQXPWUOJLR-FZKCQIBNSA-N 2 1 266.429 2.239 20 0 CEADMP CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001034646318 809651011 /nfs/dbraw/zinc/65/10/11/809651011.db2.gz FULCIPBJVQGZGH-BZUAXINKSA-N 2 1 295.471 2.286 20 0 CEADMP CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001034683381 809662188 /nfs/dbraw/zinc/66/21/88/809662188.db2.gz VEZFAMFQIDFZGH-BZUAXINKSA-N 2 1 295.471 2.144 20 0 CEADMP COC(=O)[C@@]1(C)CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001172121236 815308200 /nfs/dbraw/zinc/30/82/00/815308200.db2.gz CWGULZBTIWWYFI-IVSAIRAKSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@@]1(C)CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121236 815308205 /nfs/dbraw/zinc/30/82/05/815308205.db2.gz CWGULZBTIWWYFI-IVSAIRAKSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@@]1(C)CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172121236 815308211 /nfs/dbraw/zinc/30/82/11/815308211.db2.gz CWGULZBTIWWYFI-IVSAIRAKSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@@]1(C)CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172121236 815308218 /nfs/dbraw/zinc/30/82/18/815308218.db2.gz CWGULZBTIWWYFI-IVSAIRAKSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@@]1(C)CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172121236 815308226 /nfs/dbraw/zinc/30/82/26/815308226.db2.gz CWGULZBTIWWYFI-IVSAIRAKSA-N 2 1 294.439 2.277 20 0 CEADMP CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001034753875 809683489 /nfs/dbraw/zinc/68/34/89/809683489.db2.gz LZYAQXLYNXKXMX-KLHDSHLOSA-N 2 1 293.455 2.040 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@@](O)(CF)C1)C2 ZINC001172120061 815309921 /nfs/dbraw/zinc/30/99/21/815309921.db2.gz JKBZFUCAXHVCEC-FXUDXRNXSA-N 2 1 284.419 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@@](O)(CF)C1)C2 ZINC001172120061 815309927 /nfs/dbraw/zinc/30/99/27/815309927.db2.gz JKBZFUCAXHVCEC-FXUDXRNXSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@](O)(CF)C1)C2 ZINC001172120061 815309932 /nfs/dbraw/zinc/30/99/32/815309932.db2.gz JKBZFUCAXHVCEC-FXUDXRNXSA-N 2 1 284.419 2.188 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@@](O)(CF)C1)C2 ZINC001172120061 815309937 /nfs/dbraw/zinc/30/99/37/815309937.db2.gz JKBZFUCAXHVCEC-FXUDXRNXSA-N 2 1 284.419 2.188 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@]3(CCCO3)C1)C2 ZINC001172121010 815310877 /nfs/dbraw/zinc/31/08/77/815310877.db2.gz NXBQDWMJKYYCDA-QKPAOTATSA-N 2 1 264.413 2.257 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3(C1)CCOCC3)C2 ZINC001172121755 815311744 /nfs/dbraw/zinc/31/17/44/815311744.db2.gz LYIFJEXPNUGDHY-QDMKHBRRSA-N 2 1 264.413 2.114 20 0 CEADMP CCC[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000708991233 809938948 /nfs/dbraw/zinc/93/89/48/809938948.db2.gz LXTTYBYMSXFROT-CYBMUJFWSA-N 2 1 280.437 2.395 20 0 CEADMP CCC[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000708991233 809938954 /nfs/dbraw/zinc/93/89/54/809938954.db2.gz LXTTYBYMSXFROT-CYBMUJFWSA-N 2 1 280.437 2.395 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000709043874 809941393 /nfs/dbraw/zinc/94/13/93/809941393.db2.gz SDZGEPFUPJCASQ-UYTSQGDYSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H](C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)CC(C)(C)C ZINC000709164174 809945622 /nfs/dbraw/zinc/94/56/22/809945622.db2.gz KQMZRSFHTABDPF-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[C@H](C)C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709798184 809970800 /nfs/dbraw/zinc/97/08/00/809970800.db2.gz FTELEBJWPXGIER-HBNTYKKESA-N 2 1 252.324 2.492 20 0 CEADMP COC1(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CCCC1 ZINC000709904253 809975493 /nfs/dbraw/zinc/97/54/93/809975493.db2.gz MRUGUIKNPNOIAJ-CQSZACIVSA-N 2 1 252.402 2.021 20 0 CEADMP c1csc([C@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000710440664 809988085 /nfs/dbraw/zinc/98/80/85/809988085.db2.gz JGBVTRGZKIXKGR-OLZOCXBDSA-N 2 1 265.426 2.322 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710940028 810006519 /nfs/dbraw/zinc/00/65/19/810006519.db2.gz PDCXSLFYEQPHGM-ZDUSSCGKSA-N 2 1 299.459 2.172 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710940028 810006523 /nfs/dbraw/zinc/00/65/23/810006523.db2.gz PDCXSLFYEQPHGM-ZDUSSCGKSA-N 2 1 299.459 2.172 20 0 CEADMP NC[C@@H]1Cc2ccccc2C[N@@H+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172221960 815338662 /nfs/dbraw/zinc/33/86/62/815338662.db2.gz CSWABXCAAFUMCF-YNBOMUFVSA-N 2 1 272.392 2.082 20 0 CEADMP NC[C@@H]1Cc2ccccc2C[N@H+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172221960 815338668 /nfs/dbraw/zinc/33/86/68/815338668.db2.gz CSWABXCAAFUMCF-YNBOMUFVSA-N 2 1 272.392 2.082 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000923371702 810089088 /nfs/dbraw/zinc/08/90/88/810089088.db2.gz ZKVAANYRKLWXLV-CHWSQXEVSA-N 2 1 288.794 2.476 20 0 CEADMP C(C[NH2+]C1CC1)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000923371909 810089248 /nfs/dbraw/zinc/08/92/48/810089248.db2.gz BARVLBUEWYKEBA-WMLDXEAASA-N 2 1 277.456 2.077 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC[N@@H+]1C ZINC000711848845 810100399 /nfs/dbraw/zinc/10/03/99/810100399.db2.gz WJBYJLYQZFZEAD-MIGQKNRLSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC[N@H+]1C ZINC000711848845 810100403 /nfs/dbraw/zinc/10/04/03/810100403.db2.gz WJBYJLYQZFZEAD-MIGQKNRLSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[N@H+](CCc2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC001118241892 810132953 /nfs/dbraw/zinc/13/29/53/810132953.db2.gz QNKWVYXYYDLCOR-YGRLFVJLSA-N 2 1 254.324 2.176 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC001118241892 810132957 /nfs/dbraw/zinc/13/29/57/810132957.db2.gz QNKWVYXYYDLCOR-YGRLFVJLSA-N 2 1 254.324 2.176 20 0 CEADMP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCOC)CC2)C1 ZINC001173274441 815647743 /nfs/dbraw/zinc/64/77/43/815647743.db2.gz QFSMQXDFSPHIKP-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079848673 810236078 /nfs/dbraw/zinc/23/60/78/810236078.db2.gz GOCRFGCPEKPRRN-BZUAXINKSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079848673 810236081 /nfs/dbraw/zinc/23/60/81/810236081.db2.gz GOCRFGCPEKPRRN-BZUAXINKSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079848673 810236085 /nfs/dbraw/zinc/23/60/85/810236085.db2.gz GOCRFGCPEKPRRN-BZUAXINKSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172243248 815355773 /nfs/dbraw/zinc/35/57/73/815355773.db2.gz PVUGDTBBLRZJFF-ALOPSCKCSA-N 2 1 299.418 2.434 20 0 CEADMP COCCC[NH+]1CCC([NH+]2C[C@H]3CCC[C@@H]3C2)CC1 ZINC001172250957 815358265 /nfs/dbraw/zinc/35/82/65/815358265.db2.gz WQOAYKSUPGUNEH-HUUCEWRRSA-N 2 1 266.429 2.219 20 0 CEADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(C)(C)OC)CC1 ZINC001172255748 815359619 /nfs/dbraw/zinc/35/96/19/815359619.db2.gz MMPYERNAZNVFQA-MRXNPFEDSA-N 2 1 298.471 2.377 20 0 CEADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(C)(C)OC)CC1 ZINC001172255748 815359625 /nfs/dbraw/zinc/35/96/25/815359625.db2.gz MMPYERNAZNVFQA-MRXNPFEDSA-N 2 1 298.471 2.377 20 0 CEADMP CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001015792357 810355939 /nfs/dbraw/zinc/35/59/39/810355939.db2.gz VMGWKTZLEGMEIU-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015792357 810355942 /nfs/dbraw/zinc/35/59/42/810355942.db2.gz VMGWKTZLEGMEIU-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015792357 810355950 /nfs/dbraw/zinc/35/59/50/810355950.db2.gz VMGWKTZLEGMEIU-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001017144833 810495966 /nfs/dbraw/zinc/49/59/66/810495966.db2.gz AJWJPCQZJTYDKY-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001017144833 810495968 /nfs/dbraw/zinc/49/59/68/810495968.db2.gz AJWJPCQZJTYDKY-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001017144833 810495973 /nfs/dbraw/zinc/49/59/73/810495973.db2.gz AJWJPCQZJTYDKY-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CCC)C2)C1 ZINC001122106722 815384748 /nfs/dbraw/zinc/38/47/48/815384748.db2.gz QKFWRDZZAPNGJA-UHFFFAOYSA-N 2 1 295.471 2.145 20 0 CEADMP CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001085224468 810698043 /nfs/dbraw/zinc/69/80/43/810698043.db2.gz GQWSZQRGDGZMNP-ARFHVFGLSA-N 2 1 295.471 2.001 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC)C1 ZINC001085306694 810720690 /nfs/dbraw/zinc/72/06/90/810720690.db2.gz MQNGZWJMFCSZRW-ARFHVFGLSA-N 2 1 295.471 2.145 20 0 CEADMP CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001085352556 810728633 /nfs/dbraw/zinc/72/86/33/810728633.db2.gz MSJPSPAOCNDPCD-BZUAXINKSA-N 2 1 295.471 2.286 20 0 CEADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@@H](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001172380339 815392444 /nfs/dbraw/zinc/39/24/44/815392444.db2.gz WILOEOHQOPZMCO-DRRXZNNHSA-N 2 1 280.456 2.464 20 0 CEADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@@H](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001172380339 815392450 /nfs/dbraw/zinc/39/24/50/815392450.db2.gz WILOEOHQOPZMCO-DRRXZNNHSA-N 2 1 280.456 2.464 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001172380339 815392455 /nfs/dbraw/zinc/39/24/55/815392455.db2.gz WILOEOHQOPZMCO-DRRXZNNHSA-N 2 1 280.456 2.464 20 0 CEADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001172380339 815392461 /nfs/dbraw/zinc/39/24/61/815392461.db2.gz WILOEOHQOPZMCO-DRRXZNNHSA-N 2 1 280.456 2.464 20 0 CEADMP CC[C@@H](C)OCC[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001172334754 815393357 /nfs/dbraw/zinc/39/33/57/815393357.db2.gz IKUDMVIOLKDHNJ-HUUCEWRRSA-N 2 1 286.460 2.281 20 0 CEADMP CC[C@@H](C)OCC[C@@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172351529 815400361 /nfs/dbraw/zinc/40/03/61/815400361.db2.gz CMJLVWKAZPMMJZ-ZIAGYGMSSA-N 2 1 265.401 2.335 20 0 CEADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172351529 815400362 /nfs/dbraw/zinc/40/03/62/815400362.db2.gz CMJLVWKAZPMMJZ-ZIAGYGMSSA-N 2 1 265.401 2.335 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCN2CCC[N@@H+](C)CC2)C[C@H]1C ZINC001172362894 815403313 /nfs/dbraw/zinc/40/33/13/815403313.db2.gz ALQJHFVAPDXASG-BZUAXINKSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085902638 810962024 /nfs/dbraw/zinc/96/20/24/810962024.db2.gz INKYCFBHDDTLAI-MRXNPFEDSA-N 2 1 295.471 2.048 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC(C)C ZINC001085987978 810993051 /nfs/dbraw/zinc/99/30/51/810993051.db2.gz SYOUCAKGGSGCBU-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(C)C ZINC001085987978 810993060 /nfs/dbraw/zinc/99/30/60/810993060.db2.gz SYOUCAKGGSGCBU-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC(C)C ZINC001085987978 810993065 /nfs/dbraw/zinc/99/30/65/810993065.db2.gz SYOUCAKGGSGCBU-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@@H+]1CC=C(c2cccc(-n3cc[nH+]c3N)c2)CC1 ZINC001241333372 811061509 /nfs/dbraw/zinc/06/15/09/811061509.db2.gz TVTRQWHXRURDLM-UHFFFAOYSA-N 2 1 254.337 2.173 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001155789886 811137986 /nfs/dbraw/zinc/13/79/86/811137986.db2.gz GUKMWRSDKPIXIL-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CC(C)COCC[C@@H](C)[N@@H+](C)C1CCN(C)CC1 ZINC001172469827 815427771 /nfs/dbraw/zinc/42/77/71/815427771.db2.gz VAGKHCQQDXHDOC-CQSZACIVSA-N 2 1 256.434 2.464 20 0 CEADMP [NH3+]C1CCN(c2nc(NCCC3CCC3)cc[nH+]2)CC1 ZINC001168886978 811290021 /nfs/dbraw/zinc/29/00/21/811290021.db2.gz NWOOIXKNYJPLCT-UHFFFAOYSA-N 2 1 275.400 2.006 20 0 CEADMP CC(C)OCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172445916 815439952 /nfs/dbraw/zinc/43/99/52/815439952.db2.gz HBOUSAPMMVTKRZ-ZNMIVQPWSA-N 2 1 254.418 2.074 20 0 CEADMP CC(C)OCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001172445916 815439956 /nfs/dbraw/zinc/43/99/56/815439956.db2.gz HBOUSAPMMVTKRZ-ZNMIVQPWSA-N 2 1 254.418 2.074 20 0 CEADMP CC(C)OCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001172445916 815439957 /nfs/dbraw/zinc/43/99/57/815439957.db2.gz HBOUSAPMMVTKRZ-ZNMIVQPWSA-N 2 1 254.418 2.074 20 0 CEADMP C[C@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099592 811368858 /nfs/dbraw/zinc/36/88/58/811368858.db2.gz CDXGVWDBYUQKRN-VQHPVUNQSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N(C(N)=[NH2+])c1ccccc1)C2 ZINC001169098109 811370087 /nfs/dbraw/zinc/37/00/87/811370087.db2.gz FZYKLJJHTXKNCD-WDNDVIMCSA-N 2 1 258.369 2.012 20 0 CEADMP CC(C)OCC[C@@H](C)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001172452454 815442425 /nfs/dbraw/zinc/44/24/25/815442425.db2.gz SYVKCHYDIRIMEO-CQSZACIVSA-N 2 1 297.443 2.320 20 0 CEADMP Cc1ncsc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125267 811392730 /nfs/dbraw/zinc/39/27/30/811392730.db2.gz XSCLMMSYGIBDGX-XYYAHUGASA-N 2 1 265.426 2.209 20 0 CEADMP CC(C)COCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001172456687 815444280 /nfs/dbraw/zinc/44/42/80/815444280.db2.gz HFENTIWTNJDHLD-HUUCEWRRSA-N 2 1 256.434 2.369 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@](C)(CO)CC1)C2 ZINC001169125944 811395522 /nfs/dbraw/zinc/39/55/22/811395522.db2.gz NZKNOOFTMSPZQW-QKPAOTATSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@](C)(CO)CC1)C2 ZINC001169125944 811395525 /nfs/dbraw/zinc/39/55/25/811395525.db2.gz NZKNOOFTMSPZQW-QKPAOTATSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@](C)(CO)CC1)C2 ZINC001169125944 811395529 /nfs/dbraw/zinc/39/55/29/811395529.db2.gz NZKNOOFTMSPZQW-QKPAOTATSA-N 2 1 266.429 2.096 20 0 CEADMP COC(=O)CC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC001169109020 811403233 /nfs/dbraw/zinc/40/32/33/811403233.db2.gz GFEQVMSPSJWAPG-QDMKHBRRSA-N 2 1 294.439 2.467 20 0 CEADMP CC(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001044004476 811426905 /nfs/dbraw/zinc/42/69/05/811426905.db2.gz MHRJNMBLWKKXLC-OAHLLOKOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)COCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172467613 815448361 /nfs/dbraw/zinc/44/83/61/815448361.db2.gz RUNXHMRRMSEYNL-OAGGEKHMSA-N 2 1 268.445 2.321 20 0 CEADMP CC(C)COCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001172467613 815448365 /nfs/dbraw/zinc/44/83/65/815448365.db2.gz RUNXHMRRMSEYNL-OAGGEKHMSA-N 2 1 268.445 2.321 20 0 CEADMP CC(C)COCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001172467613 815448370 /nfs/dbraw/zinc/44/83/70/815448370.db2.gz RUNXHMRRMSEYNL-OAGGEKHMSA-N 2 1 268.445 2.321 20 0 CEADMP CC[NH+]1CCC([N@H+](CCCCCO)C(C)C)CC1 ZINC001169264681 811453108 /nfs/dbraw/zinc/45/31/08/811453108.db2.gz QMLVPWBHVQDMPL-UHFFFAOYSA-N 2 1 256.434 2.344 20 0 CEADMP CC[NH+]1CCC([N@@H+](CCCCCO)C(C)C)CC1 ZINC001169264681 811453110 /nfs/dbraw/zinc/45/31/10/811453110.db2.gz QMLVPWBHVQDMPL-UHFFFAOYSA-N 2 1 256.434 2.344 20 0 CEADMP CC[NH+]1CCC([NH2+]C(C)(C)Cc2cccnc2)CC1 ZINC001169241508 811458639 /nfs/dbraw/zinc/45/86/39/811458639.db2.gz NIQSRXRUPXGYAH-UHFFFAOYSA-N 2 1 261.413 2.477 20 0 CEADMP CC[NH+]1CCC(N2CC3(CC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC001169258750 811468051 /nfs/dbraw/zinc/46/80/51/811468051.db2.gz PXFFBTMAXLXJCD-UHFFFAOYSA-N 2 1 299.462 2.431 20 0 CEADMP CC[NH+]1CCC(N2CC3(CC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001169258750 811468055 /nfs/dbraw/zinc/46/80/55/811468055.db2.gz PXFFBTMAXLXJCD-UHFFFAOYSA-N 2 1 299.462 2.431 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC001206011495 811508803 /nfs/dbraw/zinc/50/88/03/811508803.db2.gz CQWCEKVOPXMPTL-UKRRQHHQSA-N 2 1 277.412 2.287 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001169456047 811517851 /nfs/dbraw/zinc/51/78/51/811517851.db2.gz GIXNZZQRNIZCQK-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172550100 815460108 /nfs/dbraw/zinc/46/01/08/815460108.db2.gz BZRRVAHWTKEBCR-OWCLPIDISA-N 2 1 290.407 2.193 20 0 CEADMP C[N@@H+]1CCC[C@H](CCNc2nc(NC3CC3)cc[nH+]2)C1 ZINC001156381965 811676058 /nfs/dbraw/zinc/67/60/58/811676058.db2.gz YGOXZJQRQKODGD-GFCCVEGCSA-N 2 1 275.400 2.195 20 0 CEADMP C[N@H+]1CCC[C@H](CCNc2nc(NC3CC3)cc[nH+]2)C1 ZINC001156381965 811676062 /nfs/dbraw/zinc/67/60/62/811676062.db2.gz YGOXZJQRQKODGD-GFCCVEGCSA-N 2 1 275.400 2.195 20 0 CEADMP CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046562402 811775536 /nfs/dbraw/zinc/77/55/36/811775536.db2.gz NCOOHHJIGLITSR-WBVHZDCISA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001046562402 811775544 /nfs/dbraw/zinc/77/55/44/811775544.db2.gz NCOOHHJIGLITSR-WBVHZDCISA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046562402 811775550 /nfs/dbraw/zinc/77/55/50/811775550.db2.gz NCOOHHJIGLITSR-WBVHZDCISA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C3CC(C)(C)N(O)C(C)(C)C3)C2)C1 ZINC001170003984 811890534 /nfs/dbraw/zinc/89/05/34/811890534.db2.gz BCENYEJEGDOMTR-QGZVFWFLSA-N 2 1 295.471 2.425 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](C3CC(C)(C)N(O)C(C)(C)C3)C2)C1 ZINC001170003984 811890544 /nfs/dbraw/zinc/89/05/44/811890544.db2.gz BCENYEJEGDOMTR-QGZVFWFLSA-N 2 1 295.471 2.425 20 0 CEADMP COc1ccoc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206028713 811899040 /nfs/dbraw/zinc/89/90/40/811899040.db2.gz YXTFFWNTOURFOF-NEPJUHHUSA-N 2 1 252.358 2.095 20 0 CEADMP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002902 811981549 /nfs/dbraw/zinc/98/15/49/811981549.db2.gz ZVSIBQTZKJPIFO-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2cc3ccccc3cn2)CC[C@H]1F ZINC001206173447 815490108 /nfs/dbraw/zinc/49/01/08/815490108.db2.gz HLBVKUXQWWBPPZ-HZPDHXFCSA-N 2 1 273.355 2.496 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3ccccc3cn2)CC[C@H]1F ZINC001206173447 815490110 /nfs/dbraw/zinc/49/01/10/815490110.db2.gz HLBVKUXQWWBPPZ-HZPDHXFCSA-N 2 1 273.355 2.496 20 0 CEADMP CC(C)OC(=O)CC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001172749502 815502993 /nfs/dbraw/zinc/50/29/93/815502993.db2.gz BRXZUWQWNDRLNQ-GJZGRUSLSA-N 2 1 284.444 2.428 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172715138 815505026 /nfs/dbraw/zinc/50/50/26/815505026.db2.gz FRDNVUALHKYUQT-YGRLFVJLSA-N 2 1 252.789 2.334 20 0 CEADMP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccn1 ZINC001206037823 812215717 /nfs/dbraw/zinc/21/57/17/812215717.db2.gz XXAPSXFRDCSYKM-ZFWWWQNUSA-N 2 1 277.412 2.287 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CC[NH+](CCC2CCCC2)CC1 ZINC001113495526 812261902 /nfs/dbraw/zinc/26/19/02/812261902.db2.gz KLHOFNGWVIEHKL-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CCO1 ZINC001170181916 812326632 /nfs/dbraw/zinc/32/66/32/812326632.db2.gz KPYANCQCTBTARY-CABCVRRESA-N 3 1 299.503 2.419 20 0 CEADMP CC[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)CCO1 ZINC001170218595 812341333 /nfs/dbraw/zinc/34/13/33/812341333.db2.gz FFJSUCOJGKYKGC-GJZGRUSLSA-N 2 1 254.418 2.218 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CCC1CCCC1 ZINC001170222470 812356340 /nfs/dbraw/zinc/35/63/40/812356340.db2.gz KNAKFWDEDHLSAS-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+]CC[C@@H](O)c2ccccc2)CC1 ZINC001254505026 812420046 /nfs/dbraw/zinc/42/00/46/812420046.db2.gz YAXYQSBEYNNOPB-JKSUJKDBSA-N 2 1 262.397 2.184 20 0 CEADMP CC/C=C/CC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130188584 812540731 /nfs/dbraw/zinc/54/07/31/812540731.db2.gz GSFURXPJYSEBEJ-PIGHNIFASA-N 2 1 293.455 2.065 20 0 CEADMP CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](C(C)C)C2)C1)[NH+](C)C ZINC001054152175 812545188 /nfs/dbraw/zinc/54/51/88/812545188.db2.gz BCIYOVXXEXBVGZ-NVXWUHKLSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCCC(C)(C)C ZINC001130299953 812554388 /nfs/dbraw/zinc/55/43/88/812554388.db2.gz GCIAGQIYHJFCEX-AWEZNQCLSA-N 2 1 283.460 2.003 20 0 CEADMP CCC/C=C\CC[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130425013 812567064 /nfs/dbraw/zinc/56/70/64/812567064.db2.gz KBXKWUYPMXVFLT-KTKRTIGZSA-N 2 1 283.460 2.169 20 0 CEADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C1(C[NH3+])CC1 ZINC001172850055 815537814 /nfs/dbraw/zinc/53/78/14/815537814.db2.gz SSGZBLHMUVWFFI-VIFPVBQESA-N 2 1 256.752 2.491 20 0 CEADMP CC[N@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132210372 812799313 /nfs/dbraw/zinc/79/93/13/812799313.db2.gz HAPDUAYECHYTPH-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001172940284 815554210 /nfs/dbraw/zinc/55/42/10/815554210.db2.gz WZZIJIWUQUUVMZ-HUUCEWRRSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001172940284 815554215 /nfs/dbraw/zinc/55/42/15/815554215.db2.gz WZZIJIWUQUUVMZ-HUUCEWRRSA-N 2 1 254.418 2.360 20 0 CEADMP CCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132247972 812807019 /nfs/dbraw/zinc/80/70/19/812807019.db2.gz AMPVJKFPHXMHHY-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001050392806 812813026 /nfs/dbraw/zinc/81/30/26/812813026.db2.gz HLMNLQCQBDOENW-JYJNAYRXSA-N 2 1 295.471 2.145 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001172948207 815558941 /nfs/dbraw/zinc/55/89/41/815558941.db2.gz BVWWOSJLFAGOBZ-LSDHHAIUSA-N 2 1 252.402 2.114 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132517451 812870774 /nfs/dbraw/zinc/87/07/74/812870774.db2.gz CIVUCXOJJYFWEO-GJZGRUSLSA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132517451 812870781 /nfs/dbraw/zinc/87/07/81/812870781.db2.gz CIVUCXOJJYFWEO-GJZGRUSLSA-N 2 1 283.460 2.096 20 0 CEADMP CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001100188036 812934374 /nfs/dbraw/zinc/93/43/74/812934374.db2.gz XEEQMPWKQCRXOH-UYSNPLJNSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1cccc(F)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206185357 815566410 /nfs/dbraw/zinc/56/64/10/815566410.db2.gz MXMZXOFXBUDWEV-UONOGXRCSA-N 2 1 254.324 2.395 20 0 CEADMP Cc1cccc(F)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206185357 815566416 /nfs/dbraw/zinc/56/64/16/815566416.db2.gz MXMZXOFXBUDWEV-UONOGXRCSA-N 2 1 254.324 2.395 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C(C)C)CC1 ZINC001052425720 812989692 /nfs/dbraw/zinc/98/96/92/812989692.db2.gz BQXVYDJMAVAMDS-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC001052425720 812989698 /nfs/dbraw/zinc/98/96/98/812989698.db2.gz BQXVYDJMAVAMDS-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC001052425720 812989703 /nfs/dbraw/zinc/98/97/03/812989703.db2.gz BQXVYDJMAVAMDS-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133275349 813021779 /nfs/dbraw/zinc/02/17/79/813021779.db2.gz RPYIAMMFJZEUSV-HOTGVXAUSA-N 2 1 297.487 2.203 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc3cc[nH]c32)CC[C@H]1F ZINC001206187591 815571716 /nfs/dbraw/zinc/57/17/16/815571716.db2.gz UIEAPAPWZJHFSW-ZIAGYGMSSA-N 2 1 261.344 2.429 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)CC[C@H]1F ZINC001206187591 815571720 /nfs/dbraw/zinc/57/17/20/815571720.db2.gz UIEAPAPWZJHFSW-ZIAGYGMSSA-N 2 1 261.344 2.429 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3cc(Cl)ncc23)CC[C@H]1F ZINC001206189544 815574993 /nfs/dbraw/zinc/57/49/93/815574993.db2.gz XHMGZQLWNKUEKR-VXGBXAGGSA-N 2 1 296.777 2.478 20 0 CEADMP C[N@@H+](CC(=O)NCC[NH2+]CCC(C)(C)C)CC(C)(C)C ZINC001133906171 813174706 /nfs/dbraw/zinc/17/47/06/813174706.db2.gz OQTQDLKEMUMWKI-UHFFFAOYSA-N 2 1 285.476 2.106 20 0 CEADMP c1ccc2ncc(CNC[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc2c1 ZINC000387900435 813224373 /nfs/dbraw/zinc/22/43/73/813224373.db2.gz QAABMXNRZXJETR-SJORKVTESA-N 2 1 297.402 2.188 20 0 CEADMP c1ccc2ncc(C[NH2+]C[C@H]3CN4CCC[C@@H]4CO3)cc2c1 ZINC000387900435 813224378 /nfs/dbraw/zinc/22/43/78/813224378.db2.gz QAABMXNRZXJETR-SJORKVTESA-N 2 1 297.402 2.188 20 0 CEADMP CC(C)NC(=[NH2+])NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000390795660 813271156 /nfs/dbraw/zinc/27/11/56/813271156.db2.gz ZYFHDGNKXMCBRM-QGZVFWFLSA-N 2 1 288.439 2.421 20 0 CEADMP CC(C)(C)CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135102482 813366172 /nfs/dbraw/zinc/36/61/72/813366172.db2.gz FAFRQACUCZMAAE-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCOCC1)C2 ZINC001170793295 813368070 /nfs/dbraw/zinc/36/80/70/813368070.db2.gz YEIYFQINUOZGKP-TUVASFSCSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCOCC1)C2 ZINC001170793295 813368077 /nfs/dbraw/zinc/36/80/77/813368077.db2.gz YEIYFQINUOZGKP-TUVASFSCSA-N 2 1 252.402 2.160 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC1CC(C)C1 ZINC001135437410 813435887 /nfs/dbraw/zinc/43/58/87/813435887.db2.gz RUFURZCYLDFKJD-UHFFFAOYSA-N 2 1 297.487 2.250 20 0 CEADMP CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001086786179 813529234 /nfs/dbraw/zinc/52/92/34/813529234.db2.gz NEISWHUDXONOMR-YHUYYLMFSA-N 2 1 295.471 2.001 20 0 CEADMP CC[C@]([NH3+])(CO)Nc1ccc([NH+]2CCCCC2)cc1C ZINC001170865926 813565801 /nfs/dbraw/zinc/56/58/01/813565801.db2.gz KUTDSBNLXMXXAJ-MRXNPFEDSA-N 2 1 277.412 2.455 20 0 CEADMP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135981237 813577339 /nfs/dbraw/zinc/57/73/39/813577339.db2.gz ZZGJDWLSDLRZLR-ZIAGYGMSSA-N 2 1 271.449 2.001 20 0 CEADMP Cc1cc([NH+]2CCCCC2)ccc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170902899 813627982 /nfs/dbraw/zinc/62/79/82/813627982.db2.gz HDWABWBRRBNACL-MRXNPFEDSA-N 3 1 276.428 2.421 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170947429 813671806 /nfs/dbraw/zinc/67/18/06/813671806.db2.gz WJKUFHNJHHVUIW-CQSZACIVSA-N 2 1 262.372 2.367 20 0 CEADMP C[C@]1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCC[NH2+]C1 ZINC001246102167 813693322 /nfs/dbraw/zinc/69/33/22/813693322.db2.gz RLTKHOMGNQDWSC-JJXSEGSLSA-N 3 1 265.445 2.029 20 0 CEADMP C[N@@H+](CC(=O)NCCC[NH2+]CC1CCCCC1)C1CCC1 ZINC001160003297 813716558 /nfs/dbraw/zinc/71/65/58/813716558.db2.gz IFZMOTVVYIEGHX-UHFFFAOYSA-N 2 1 295.471 2.147 20 0 CEADMP CCCC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]1 ZINC001246228734 813740694 /nfs/dbraw/zinc/74/06/94/813740694.db2.gz IWUKZVKZLDYSGO-MGPQQGTHSA-N 3 1 289.414 2.132 20 0 CEADMP CCC[N@@H+]1C[C@H]2CN(Cc3cnc4cc(C)ccn34)C[C@H]2C1 ZINC001136892866 813787191 /nfs/dbraw/zinc/78/71/91/813787191.db2.gz SQORDCJPBNGPLR-IYBDPMFKSA-N 2 1 298.434 2.416 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CCC2(C)C)C1 ZINC001246334533 813789153 /nfs/dbraw/zinc/78/91/53/813789153.db2.gz ZZCYQPCMTQUKAT-RDBSUJKOSA-N 2 1 282.428 2.086 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001074015030 813799678 /nfs/dbraw/zinc/79/96/78/813799678.db2.gz PTTUWNNSQIXZJO-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001074015030 813799685 /nfs/dbraw/zinc/79/96/85/813799685.db2.gz PTTUWNNSQIXZJO-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001074015030 813799695 /nfs/dbraw/zinc/79/96/95/813799695.db2.gz PTTUWNNSQIXZJO-CVEARBPZSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC2(C)C)CC[NH2+]1 ZINC001246369586 813803188 /nfs/dbraw/zinc/80/31/88/813803188.db2.gz CEZJIHZXIQYJOK-ILXRZTDVSA-N 3 1 267.461 2.275 20 0 CEADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111464246 813975239 /nfs/dbraw/zinc/97/52/39/813975239.db2.gz NQLWMBCYTRSLST-JJXSEGSLSA-N 2 1 295.471 2.094 20 0 CEADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111464246 813975246 /nfs/dbraw/zinc/97/52/46/813975246.db2.gz NQLWMBCYTRSLST-JJXSEGSLSA-N 2 1 295.471 2.094 20 0 CEADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)CCc1cnc[nH]1 ZINC001171153029 814003334 /nfs/dbraw/zinc/00/33/34/814003334.db2.gz VQSUFRXCLMNDJA-AWEZNQCLSA-N 2 1 294.443 2.407 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246551022 814009100 /nfs/dbraw/zinc/00/91/00/814009100.db2.gz JUPKFUOPXASCSK-ZFWWWQNUSA-N 2 1 270.417 2.312 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246556426 814032538 /nfs/dbraw/zinc/03/25/38/814032538.db2.gz ZSHPWXMGGGLMCY-IJEWVQPXSA-N 2 1 282.428 2.312 20 0 CEADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CC1CCOCC1 ZINC001255955491 814059506 /nfs/dbraw/zinc/05/95/06/814059506.db2.gz AEGUFBZQNPWMAN-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H](CO)CC1 ZINC001255955720 814059834 /nfs/dbraw/zinc/05/98/34/814059834.db2.gz DAXDILCUDJSNGH-GJZGRUSLSA-N 2 1 256.434 2.201 20 0 CEADMP CC[NH+](CC)CC[C@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC001255965724 814063535 /nfs/dbraw/zinc/06/35/35/814063535.db2.gz HMZXZYVEYSHYSG-AWEZNQCLSA-N 2 1 255.450 2.133 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](N)[C@@H](F)CC2)CC1 ZINC001246568997 814074635 /nfs/dbraw/zinc/07/46/35/814074635.db2.gz MLVOYWCAJYBCHF-SSHXOBKSSA-N 2 1 285.451 2.401 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246568997 814074645 /nfs/dbraw/zinc/07/46/45/814074645.db2.gz MLVOYWCAJYBCHF-SSHXOBKSSA-N 3 1 285.451 2.401 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246568997 814074655 /nfs/dbraw/zinc/07/46/55/814074655.db2.gz MLVOYWCAJYBCHF-SSHXOBKSSA-N 3 1 285.451 2.401 20 0 CEADMP CCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001100446222 814127299 /nfs/dbraw/zinc/12/72/99/814127299.db2.gz VCWPPFYBVHQZTD-UYSNPLJNSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[NH+]1C[C@H]2CN(Cc3[nH+]cn4ccccc34)C[C@@H]2C1 ZINC001144627821 814134327 /nfs/dbraw/zinc/13/43/27/814134327.db2.gz XJYPLPWBSSUQDO-GJZGRUSLSA-N 2 1 284.407 2.108 20 0 CEADMP CC/C=C\CC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100829627 814196059 /nfs/dbraw/zinc/19/60/59/814196059.db2.gz DJYFBLZKEPZKIA-SREVYHEPSA-N 2 1 295.471 2.169 20 0 CEADMP C1[NH2+]CC12CC[NH+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246600942 814200440 /nfs/dbraw/zinc/20/04/40/814200440.db2.gz JGRNZAWRDVCHED-OAHLLOKOSA-N 3 1 277.456 2.127 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171247548 814222961 /nfs/dbraw/zinc/22/29/61/814222961.db2.gz MDMQMAGDLFTHTK-KBPBESRZSA-N 2 1 292.427 2.045 20 0 CEADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171261647 814243656 /nfs/dbraw/zinc/24/36/56/814243656.db2.gz XNUXFDMGNZLPPD-CQSZACIVSA-N 2 1 283.460 2.145 20 0 CEADMP C[C@H]1CC[C@H](N)C[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246826778 814268729 /nfs/dbraw/zinc/26/87/29/814268729.db2.gz YPSYNLDGYQEEBN-KBPBESRZSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@H]1CC[C@H]([NH3+])CN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246826778 814268738 /nfs/dbraw/zinc/26/87/38/814268738.db2.gz YPSYNLDGYQEEBN-KBPBESRZSA-N 2 1 265.445 2.110 20 0 CEADMP CC[C@H](C)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102496100 814391078 /nfs/dbraw/zinc/39/10/78/814391078.db2.gz DFTYRJQNSKNXFU-ARFHVFGLSA-N 2 1 297.487 2.058 20 0 CEADMP CC[C@H](C)C[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102496100 814391087 /nfs/dbraw/zinc/39/10/87/814391087.db2.gz DFTYRJQNSKNXFU-ARFHVFGLSA-N 2 1 297.487 2.058 20 0 CEADMP CC[C@H](C)C[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102496100 814391096 /nfs/dbraw/zinc/39/10/96/814391096.db2.gz DFTYRJQNSKNXFU-ARFHVFGLSA-N 2 1 297.487 2.058 20 0 CEADMP CCC/C=C/CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161043137 814469048 /nfs/dbraw/zinc/46/90/48/814469048.db2.gz YBBLVUXNOVDEDQ-SQRWCISFSA-N 2 1 295.471 2.313 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001148577731 814590787 /nfs/dbraw/zinc/59/07/87/814590787.db2.gz ANKWHOJRPFQSPV-UHFFFAOYSA-N 2 1 295.471 2.315 20 0 CEADMP CC(C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947473 814634712 /nfs/dbraw/zinc/63/47/12/814634712.db2.gz KTQNEXXUBHALHS-RDJZCZTQSA-N 2 1 295.471 2.097 20 0 CEADMP CCN(CC[NH2+]CC(C)C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001273448566 814634755 /nfs/dbraw/zinc/63/47/55/814634755.db2.gz DJCUJHXOBVXVKV-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](F)[C@@H](O)CC2)CC1 ZINC001173108312 815582742 /nfs/dbraw/zinc/58/27/42/815582742.db2.gz BGHSKAAOBWHPJF-FJBKBRRZSA-N 2 1 286.435 2.434 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H](F)C[C@@H](CO)C2)CC1 ZINC001173110062 815582828 /nfs/dbraw/zinc/58/28/28/815582828.db2.gz NUIXBEDIZCGQCQ-WXLSXGNJSA-N 2 1 286.435 2.292 20 0 CEADMP CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579661 814723514 /nfs/dbraw/zinc/72/35/14/814723514.db2.gz ZTRRKUSEIULTCL-HNNXBMFYSA-N 2 1 295.471 2.289 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712561466 814766423 /nfs/dbraw/zinc/76/64/23/814766423.db2.gz JVRYDUGHANAUPC-UHFFFAOYSA-N 2 1 253.415 2.068 20 0 CEADMP Cc1ncsc1CC[N@H+]1CC[NH2+]CCC1(C)C ZINC000712561466 814766428 /nfs/dbraw/zinc/76/64/28/814766428.db2.gz JVRYDUGHANAUPC-UHFFFAOYSA-N 2 1 253.415 2.068 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CCC[C@@H](CC[NH3+])C2)OC1 ZINC000713596707 814865686 /nfs/dbraw/zinc/86/56/86/814865686.db2.gz NDRACZMFTLHBFI-UONOGXRCSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000713590070 814865785 /nfs/dbraw/zinc/86/57/85/814865785.db2.gz AEFAVQPYBOLHJZ-CBBWQLFWSA-N 2 1 268.445 2.497 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)OC1 ZINC000713626156 814869927 /nfs/dbraw/zinc/86/99/27/814869927.db2.gz XNEKLOYPDWEION-CQSZACIVSA-N 2 1 266.429 2.267 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@H](CC[NH3+])C2)O1 ZINC000714380730 814893238 /nfs/dbraw/zinc/89/32/38/814893238.db2.gz SFIBAZXRNWWVIK-ZIAGYGMSSA-N 2 1 254.418 2.395 20 0 CEADMP CC1(C)CCC[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)O1 ZINC000714332964 814894615 /nfs/dbraw/zinc/89/46/15/814894615.db2.gz YYQUQDHPBZJUQY-GOEBONIOSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000714367058 814900389 /nfs/dbraw/zinc/90/03/89/814900389.db2.gz DTXFAGFQFWSIHA-MJBXVCDLSA-N 2 1 254.418 2.393 20 0 CEADMP CC[N@H+]1CC[C@@H](Nc2ccc(Br)cc2C[NH3+])C1 ZINC001173354504 815694031 /nfs/dbraw/zinc/69/40/31/815694031.db2.gz OBRCIENNZHHKCR-GFCCVEGCSA-N 2 1 298.228 2.414 20 0 CEADMP CC[N@H+]1CC[C@@H](N(Cc2ccccc2)C[C@@H](C)C[NH3+])C1 ZINC001173354220 815694917 /nfs/dbraw/zinc/69/49/17/815694917.db2.gz XZXWCWJPWPIXDJ-DOTOQJQBSA-N 2 1 275.440 2.178 20 0 CEADMP CC[N@H+]1CC[C@H](N2C[C@H]3[C@@H](CC[NH+]3Cc3ccccc3)C2)C1 ZINC001173365421 815703278 /nfs/dbraw/zinc/70/32/78/815703278.db2.gz HRZALZGWPPDALN-FHWLQOOXSA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001173365421 815703285 /nfs/dbraw/zinc/70/32/85/815703285.db2.gz HRZALZGWPPDALN-FHWLQOOXSA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)C1 ZINC001173365421 815703292 /nfs/dbraw/zinc/70/32/92/815703292.db2.gz HRZALZGWPPDALN-FHWLQOOXSA-N 2 1 299.462 2.287 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CC[NH+](C)Cc2ccccc2)C1 ZINC001173367556 815705900 /nfs/dbraw/zinc/70/59/00/815705900.db2.gz IDPFUQYIVISSLO-QGZVFWFLSA-N 2 1 275.440 2.144 20 0 CEADMP CC[NH+]1CC[C@@H](N(C)CC[N@H+](C)Cc2ccccc2)C1 ZINC001173367556 815705906 /nfs/dbraw/zinc/70/59/06/815705906.db2.gz IDPFUQYIVISSLO-QGZVFWFLSA-N 2 1 275.440 2.144 20 0 CEADMP CC[NH+]1CC[C@@H](N(C)CC[N@@H+](C)Cc2ccccc2)C1 ZINC001173367556 815705911 /nfs/dbraw/zinc/70/59/11/815705911.db2.gz IDPFUQYIVISSLO-QGZVFWFLSA-N 2 1 275.440 2.144 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC001173375816 815709765 /nfs/dbraw/zinc/70/97/65/815709765.db2.gz XYYPLWXOXMPTLO-FHWLQOOXSA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001173375816 815709771 /nfs/dbraw/zinc/70/97/71/815709771.db2.gz XYYPLWXOXMPTLO-FHWLQOOXSA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001173375816 815709775 /nfs/dbraw/zinc/70/97/75/815709775.db2.gz XYYPLWXOXMPTLO-FHWLQOOXSA-N 2 1 299.462 2.287 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(C3Cc4cc(F)c(F)cc4C3)C2)C1 ZINC001173482842 815727293 /nfs/dbraw/zinc/72/72/93/815727293.db2.gz LRWKHVNTVBVWJI-KRWDZBQOSA-N 2 1 292.373 2.460 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)[C@H](C)CCCCC(=O)OC ZINC001173460733 815739012 /nfs/dbraw/zinc/73/90/12/815739012.db2.gz HADAQLBHCIYNSS-CQSZACIVSA-N 2 1 272.433 2.382 20 0 CEADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc4nccnc34)C[C@H]2C1 ZINC001138309357 815764459 /nfs/dbraw/zinc/76/44/59/815764459.db2.gz LJCJBQYMMAFCGZ-HUUCEWRRSA-N 2 1 282.391 2.013 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC001173623891 815767389 /nfs/dbraw/zinc/76/73/89/815767389.db2.gz WHYPLJZCPYDIHJ-OAGGEKHMSA-N 2 1 296.455 2.430 20 0 CEADMP CCC[N@@H+](CCC[NH3+])C1CCN(CC(F)(F)F)CC1 ZINC001173658981 815778061 /nfs/dbraw/zinc/77/80/61/815778061.db2.gz UIOOATFNONBBLU-UHFFFAOYSA-N 2 1 281.366 2.074 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC001173646502 815789938 /nfs/dbraw/zinc/78/99/38/815789938.db2.gz DLXRJFDVXWVJKX-HZPDHXFCSA-N 2 1 296.455 2.382 20 0 CEADMP COc1cc(O)ccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001139140336 815968820 /nfs/dbraw/zinc/96/88/20/815968820.db2.gz JHFHRIJWHUMLPC-UHFFFAOYSA-N 2 1 278.396 2.174 20 0 CEADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC34CC4)s2)CC1 ZINC001139320385 816003724 /nfs/dbraw/zinc/00/37/24/816003724.db2.gz VBMYCZAZYHDPPL-UHFFFAOYSA-N 2 1 292.452 2.023 20 0 CEADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC34CC4)s2)CC1 ZINC001139320385 816003730 /nfs/dbraw/zinc/00/37/30/816003730.db2.gz VBMYCZAZYHDPPL-UHFFFAOYSA-N 2 1 292.452 2.023 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174906178 816107001 /nfs/dbraw/zinc/10/70/01/816107001.db2.gz RILLGKJYQJMNBO-KKUMJFAQSA-N 2 1 283.460 2.001 20 0 CEADMP Cc1ccccc1CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001175070402 816134547 /nfs/dbraw/zinc/13/45/47/816134547.db2.gz SUMVZJHMVVBGCO-FVQHAEBGSA-N 2 1 258.409 2.419 20 0 CEADMP Cc1ccccc1CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001175070402 816134550 /nfs/dbraw/zinc/13/45/50/816134550.db2.gz SUMVZJHMVVBGCO-FVQHAEBGSA-N 2 1 258.409 2.419 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(O)c(C)c3)C[C@H]2C1 ZINC001140576217 816287836 /nfs/dbraw/zinc/28/78/36/816287836.db2.gz LWLLMRBFBRRSAL-HZPDHXFCSA-N 2 1 274.408 2.474 20 0 CEADMP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140805195 816367718 /nfs/dbraw/zinc/36/77/18/816367718.db2.gz WBCNQTNZVBCKKE-OBJOEFQTSA-N 2 1 299.374 2.336 20 0 CEADMP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140805195 816367727 /nfs/dbraw/zinc/36/77/27/816367727.db2.gz WBCNQTNZVBCKKE-OBJOEFQTSA-N 2 1 299.374 2.336 20 0 CEADMP C[N@@H+]1C[C@H]2CCCN(Cc3cnc4cc[nH]cc3-4)[C@H]2C1 ZINC001140807137 816370822 /nfs/dbraw/zinc/37/08/22/816370822.db2.gz NLHGCDASHICHBU-WBMJQRKESA-N 2 1 270.380 2.089 20 0 CEADMP C[N@H+]1C[C@H]2CCCN(Cc3cnc4cc[nH]cc3-4)[C@H]2C1 ZINC001140807137 816370830 /nfs/dbraw/zinc/37/08/30/816370830.db2.gz NLHGCDASHICHBU-WBMJQRKESA-N 2 1 270.380 2.089 20 0 CEADMP C[N@@H+]1C[C@H]2CCCN(Cc3c[nH]c4cc[nH+]cc34)[C@H]2C1 ZINC001140807137 816370839 /nfs/dbraw/zinc/37/08/39/816370839.db2.gz NLHGCDASHICHBU-WBMJQRKESA-N 2 1 270.380 2.089 20 0 CEADMP C[N@H+]1C[C@H]2CCCN(Cc3c[nH]c4cc[nH+]cc34)[C@H]2C1 ZINC001140807137 816370847 /nfs/dbraw/zinc/37/08/47/816370847.db2.gz NLHGCDASHICHBU-WBMJQRKESA-N 2 1 270.380 2.089 20 0 CEADMP C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140967774 816426692 /nfs/dbraw/zinc/42/66/92/816426692.db2.gz BUAHGDMVJMYLCM-GDBMZVCRSA-N 2 1 291.414 2.371 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4cccc(O)c4n3)C[C@@H]2C1 ZINC001141022766 816449506 /nfs/dbraw/zinc/44/95/06/816449506.db2.gz MAAZRYPSXVRWPX-CABCVRRESA-N 2 1 297.402 2.324 20 0 CEADMP c1cn2ccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2n1 ZINC001141042258 816457300 /nfs/dbraw/zinc/45/73/00/816457300.db2.gz JEIVDFMMSQQGKF-UHFFFAOYSA-N 2 1 293.374 2.052 20 0 CEADMP CCCCc1nc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)c[nH]1 ZINC001141072662 816469869 /nfs/dbraw/zinc/46/98/69/816469869.db2.gz WOWSWXILYWZVHA-DZGCQCFKSA-N 2 1 276.428 2.278 20 0 CEADMP CCCCc1ncc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)[nH]1 ZINC001141072662 816469871 /nfs/dbraw/zinc/46/98/71/816469871.db2.gz WOWSWXILYWZVHA-DZGCQCFKSA-N 2 1 276.428 2.278 20 0 CEADMP CCCCc1ncc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)[nH]1 ZINC001141072662 816469873 /nfs/dbraw/zinc/46/98/73/816469873.db2.gz WOWSWXILYWZVHA-DZGCQCFKSA-N 2 1 276.428 2.278 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001177245477 816536865 /nfs/dbraw/zinc/53/68/65/816536865.db2.gz SFMYJQRMTNUMPJ-RRFJBIMHSA-N 2 1 256.434 2.369 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(Cl)c(C)c2)C1 ZINC001177319150 816546519 /nfs/dbraw/zinc/54/65/19/816546519.db2.gz ZBCNUBOYEABGPQ-GFCCVEGCSA-N 2 1 267.804 2.475 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(Cl)c(C)c2)C1 ZINC001177319150 816546526 /nfs/dbraw/zinc/54/65/26/816546526.db2.gz ZBCNUBOYEABGPQ-GFCCVEGCSA-N 2 1 267.804 2.475 20 0 CEADMP COc1ccncc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206311623 816651512 /nfs/dbraw/zinc/65/15/12/816651512.db2.gz RNOPNNGRNTVLEV-OAHLLOKOSA-N 2 1 263.385 2.041 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2scc3c2OCCO3)CC1 ZINC001206310894 816654664 /nfs/dbraw/zinc/65/46/64/816654664.db2.gz FATSQIYWPWJPNO-OAHLLOKOSA-N 2 1 296.436 2.470 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)ccn2)CC1 ZINC001206317772 816690895 /nfs/dbraw/zinc/69/08/95/816690895.db2.gz IKRMGIIEZJELPI-AWEZNQCLSA-N 2 1 251.349 2.172 20 0 CEADMP c1nc2cccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c2[nH]1 ZINC001142672553 816705678 /nfs/dbraw/zinc/70/56/78/816705678.db2.gz CXBIGHLSUMTAGC-UHFFFAOYSA-N 2 1 293.374 2.280 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4[nH]cnc43)C[C@@H]2C1 ZINC001142695924 816714174 /nfs/dbraw/zinc/71/41/74/816714174.db2.gz DNIAHZOXYAMNHM-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4[nH]cnc43)C[C@@H]2C1 ZINC001142695924 816714177 /nfs/dbraw/zinc/71/41/77/816714177.db2.gz DNIAHZOXYAMNHM-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4[nH]cnc43)C[C@@H]2C1 ZINC001142695924 816714181 /nfs/dbraw/zinc/71/41/81/816714181.db2.gz DNIAHZOXYAMNHM-GASCZTMLSA-N 2 1 284.407 2.337 20 0 CEADMP Cc1cnc(F)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206325250 816723005 /nfs/dbraw/zinc/72/30/05/816723005.db2.gz GPYONDYMYMBJLC-OAHLLOKOSA-N 2 1 265.376 2.480 20 0 CEADMP [NH3+]C[C@]1(F)CCCC[N@H+](CC2CCSCC2)C1 ZINC001206337340 816773234 /nfs/dbraw/zinc/77/32/34/816773234.db2.gz UGBCGRPNLJSTEE-CYBMUJFWSA-N 2 1 260.422 2.283 20 0 CEADMP [NH3+]C[C@]1(F)CCCC[N@@H+](CC2CCSCC2)C1 ZINC001206337340 816773239 /nfs/dbraw/zinc/77/32/39/816773239.db2.gz UGBCGRPNLJSTEE-CYBMUJFWSA-N 2 1 260.422 2.283 20 0 CEADMP C[N@H+](Cc1scc2c1OCCO2)CC1CC[NH+](C)CC1 ZINC001143186975 816803365 /nfs/dbraw/zinc/80/33/65/816803365.db2.gz FYPNCFOPVWJMCK-UHFFFAOYSA-N 2 1 296.436 2.293 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CCC(C)(C)C ZINC001161227078 816818831 /nfs/dbraw/zinc/81/88/31/816818831.db2.gz UERQTWSWLQIHHT-UHFFFAOYSA-N 2 1 285.476 2.249 20 0 CEADMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc3c(c2)CCN3)C1 ZINC001206369270 816834912 /nfs/dbraw/zinc/83/49/12/816834912.db2.gz AQKRBGQKAITUCD-MRXNPFEDSA-N 2 1 277.387 2.308 20 0 CEADMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc3c(c2)CCN3)C1 ZINC001206369270 816834920 /nfs/dbraw/zinc/83/49/20/816834920.db2.gz AQKRBGQKAITUCD-MRXNPFEDSA-N 2 1 277.387 2.308 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC23CCC3)CC1 ZINC000337416994 214067147 /nfs/dbraw/zinc/06/71/47/214067147.db2.gz ZWIYLWBVCCIBNC-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccncc1F ZINC000449075832 282090401 /nfs/dbraw/zinc/09/04/01/282090401.db2.gz SDCKHYPIDSZIJZ-LLVKDONJSA-N 2 1 262.332 2.152 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H]3CCC[C@@H]32)CC1 ZINC000337437510 214080726 /nfs/dbraw/zinc/08/07/26/214080726.db2.gz XXPFGZQEJSUGDR-SJORKVTESA-N 2 1 279.472 2.277 20 0 CEADMP COCC1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000449084612 282093974 /nfs/dbraw/zinc/09/39/74/282093974.db2.gz YIUQNDVVNDSCTH-QDIHITRGSA-N 2 1 266.429 2.408 20 0 CEADMP COCC1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000449084612 282093978 /nfs/dbraw/zinc/09/39/78/282093978.db2.gz YIUQNDVVNDSCTH-QDIHITRGSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000121525585 365580074 /nfs/dbraw/zinc/58/00/74/365580074.db2.gz GNQPDMSHAUHMDT-SWLSCSKDSA-N 2 1 287.411 2.228 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000449121047 282107940 /nfs/dbraw/zinc/10/79/40/282107940.db2.gz FUQSRLQORMCHKZ-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449121045 282108032 /nfs/dbraw/zinc/10/80/32/282108032.db2.gz FUQSRLQORMCHKZ-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](C[C@@H]3CCCOC3)C2)CC1 ZINC000336554794 365638451 /nfs/dbraw/zinc/63/84/51/365638451.db2.gz PUJLKKDKIRIVHZ-HOCLYGCPSA-N 2 1 266.429 2.077 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000336541873 365622183 /nfs/dbraw/zinc/62/21/83/365622183.db2.gz WMSZJYQEJQCVFI-KRWDZBQOSA-N 2 1 273.424 2.280 20 0 CEADMP CN(C)c1ccccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336541873 365622187 /nfs/dbraw/zinc/62/21/87/365622187.db2.gz WMSZJYQEJQCVFI-KRWDZBQOSA-N 2 1 273.424 2.280 20 0 CEADMP CN(C)c1ccccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336541873 365622194 /nfs/dbraw/zinc/62/21/94/365622194.db2.gz WMSZJYQEJQCVFI-KRWDZBQOSA-N 2 1 273.424 2.280 20 0 CEADMP CCCNC(=O)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000125048999 365664710 /nfs/dbraw/zinc/66/47/10/365664710.db2.gz ARPISKIIZCRDAH-INIZCTEOSA-N 2 1 295.471 2.101 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000125332051 365671462 /nfs/dbraw/zinc/67/14/62/365671462.db2.gz WNCAKARJDHCAQR-GDBMZVCRSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000125332051 365671465 /nfs/dbraw/zinc/67/14/65/365671465.db2.gz WNCAKARJDHCAQR-GDBMZVCRSA-N 2 1 267.461 2.038 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCOCC(F)(F)F)C[C@@H]21 ZINC000125404453 365673054 /nfs/dbraw/zinc/67/30/54/365673054.db2.gz RWHONAIXACREEY-GRYCIOLGSA-N 2 1 280.334 2.015 20 0 CEADMP CC[C@H](O)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000567677820 299073840 /nfs/dbraw/zinc/07/38/40/299073840.db2.gz AYYUNBWXGMZBHU-ZNMIVQPWSA-N 2 1 256.434 2.105 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000567681183 299074275 /nfs/dbraw/zinc/07/42/75/299074275.db2.gz LTWZEKMSBAZQSP-ZWKOTPCHSA-N 2 1 290.451 2.302 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCOCC1CC1 ZINC000036908348 361870767 /nfs/dbraw/zinc/87/07/67/361870767.db2.gz WMLBMJCYDJTXSS-VNHYZAJKSA-N 2 1 254.418 2.121 20 0 CEADMP c1ccc2c(c1)CC([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000036997091 361879382 /nfs/dbraw/zinc/87/93/82/361879382.db2.gz MIGSOOFNXCNGJA-IAGOWNOFSA-N 2 1 256.393 2.370 20 0 CEADMP c1ccc2c(c1)CC([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000036997091 361879388 /nfs/dbraw/zinc/87/93/88/361879388.db2.gz MIGSOOFNXCNGJA-IAGOWNOFSA-N 2 1 256.393 2.370 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000037644348 361916278 /nfs/dbraw/zinc/91/62/78/361916278.db2.gz YRHJXVJHXHXNQF-AWEZNQCLSA-N 2 1 290.407 2.279 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000037644348 361916281 /nfs/dbraw/zinc/91/62/81/361916281.db2.gz YRHJXVJHXHXNQF-AWEZNQCLSA-N 2 1 290.407 2.279 20 0 CEADMP CC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000037688503 361922608 /nfs/dbraw/zinc/92/26/08/361922608.db2.gz UBYKQMRFKUPSJH-MRXNPFEDSA-N 2 1 262.397 2.012 20 0 CEADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000037901342 361962820 /nfs/dbraw/zinc/96/28/20/361962820.db2.gz MIQJJYYIVHGGMG-UKRRQHHQSA-N 2 1 283.460 2.131 20 0 CEADMP C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C[NH+]1CCCCC1 ZINC000038041993 361984867 /nfs/dbraw/zinc/98/48/67/361984867.db2.gz CQNLRBNMBFCTNE-WCXIOVBPSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C[NH+]1CCCCC1 ZINC000038041993 361984870 /nfs/dbraw/zinc/98/48/70/361984870.db2.gz CQNLRBNMBFCTNE-WCXIOVBPSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C[NH+]1CCCCC1 ZINC000038041993 361984878 /nfs/dbraw/zinc/98/48/78/361984878.db2.gz CQNLRBNMBFCTNE-WCXIOVBPSA-N 3 1 281.488 2.427 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337997076 214351295 /nfs/dbraw/zinc/35/12/95/214351295.db2.gz JTBPVHJDRIYCKD-HOTGVXAUSA-N 2 1 266.429 2.266 20 0 CEADMP COCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000125548001 187190300 /nfs/dbraw/zinc/19/03/00/187190300.db2.gz VVAQUMZOQHLDCD-INIZCTEOSA-N 2 1 292.423 2.095 20 0 CEADMP COCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000125548001 187190301 /nfs/dbraw/zinc/19/03/01/187190301.db2.gz VVAQUMZOQHLDCD-INIZCTEOSA-N 2 1 292.423 2.095 20 0 CEADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)CC1CCOCC1 ZINC000123979522 539179887 /nfs/dbraw/zinc/17/98/87/539179887.db2.gz PDSPGHHWDYXTDA-UHFFFAOYSA-N 2 1 274.408 2.191 20 0 CEADMP OCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000123273594 539174001 /nfs/dbraw/zinc/17/40/01/539174001.db2.gz SNYOJJQYHNDVDG-LSDHHAIUSA-N 2 1 266.429 2.146 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccn1 ZINC000621776817 349699584 /nfs/dbraw/zinc/69/95/84/349699584.db2.gz XCKCKWSVVMHYIF-ULQDDVLXSA-N 2 1 289.423 2.108 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCCOCCc1ccccc1)C2 ZINC000621779183 349700466 /nfs/dbraw/zinc/70/04/66/349700466.db2.gz BHAUYRXGIKOEKE-ROUUACIJSA-N 2 1 288.435 2.449 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc3c(c1)CCC3)C2 ZINC000621782037 349701228 /nfs/dbraw/zinc/70/12/28/349701228.db2.gz LSQHTYNSUTURBN-IAGOWNOFSA-N 2 1 256.393 2.489 20 0 CEADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc3c(c1)CCC3)C2 ZINC000621782037 349701231 /nfs/dbraw/zinc/70/12/31/349701231.db2.gz LSQHTYNSUTURBN-IAGOWNOFSA-N 2 1 256.393 2.489 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357065299 529544195 /nfs/dbraw/zinc/54/41/95/529544195.db2.gz AEKWXMYHWPJAIO-HZPDHXFCSA-N 2 1 274.408 2.169 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCCc1ccsc1)C2 ZINC000621784375 349702473 /nfs/dbraw/zinc/70/24/73/349702473.db2.gz OCBGHRAJSHTGMK-UONOGXRCSA-N 2 1 250.411 2.494 20 0 CEADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCCc1ccsc1)C2 ZINC000621784375 349702475 /nfs/dbraw/zinc/70/24/75/349702475.db2.gz OCBGHRAJSHTGMK-UONOGXRCSA-N 2 1 250.411 2.494 20 0 CEADMP CCn1cc(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000621774934 349697090 /nfs/dbraw/zinc/69/70/90/349697090.db2.gz AVCXLBISXISPCZ-DLBZAZTESA-N 2 1 290.455 2.157 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449339982 282193386 /nfs/dbraw/zinc/19/33/86/282193386.db2.gz ZWKTYPURLFYHME-PMPSAXMXSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H](O)C1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000668701562 539240892 /nfs/dbraw/zinc/24/08/92/539240892.db2.gz YANJVPYPJHEEFE-OAHLLOKOSA-N 2 1 288.435 2.197 20 0 CEADMP Clc1ccccc1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000622022418 349772950 /nfs/dbraw/zinc/77/29/50/349772950.db2.gz LXVPGTZIFGTMFQ-STQMWFEESA-N 2 1 250.773 2.034 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)s1 ZINC000040997664 362010527 /nfs/dbraw/zinc/01/05/27/362010527.db2.gz WGPMCLXKJHLZGJ-OPQQBVKSSA-N 2 1 253.415 2.270 20 0 CEADMP Cc1ncc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)s1 ZINC000040997664 362010533 /nfs/dbraw/zinc/01/05/33/362010533.db2.gz WGPMCLXKJHLZGJ-OPQQBVKSSA-N 2 1 253.415 2.270 20 0 CEADMP CC[C@@H](COC)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126481023 187242771 /nfs/dbraw/zinc/24/27/71/187242771.db2.gz ZROVGISSWJUVLP-AWEZNQCLSA-N 2 1 274.368 2.090 20 0 CEADMP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)C1CC1 ZINC000126510774 187244943 /nfs/dbraw/zinc/24/49/43/187244943.db2.gz KLXPLXWXWOXERU-HNNXBMFYSA-N 2 1 286.379 2.090 20 0 CEADMP CC[C@H](C)[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000412391882 529697292 /nfs/dbraw/zinc/69/72/92/529697292.db2.gz MKCOIEBMVBSGFP-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440112646 539311187 /nfs/dbraw/zinc/31/11/87/539311187.db2.gz WWIKIRLPGKGPON-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP OCC1([NH2+]CC2CC2)CC[NH+](CCc2ccccc2)CC1 ZINC000038125190 343433631 /nfs/dbraw/zinc/43/36/31/343433631.db2.gz GDRAKILHHRCJIC-UHFFFAOYSA-N 2 1 288.435 2.056 20 0 CEADMP COCC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000081013309 344033483 /nfs/dbraw/zinc/03/34/83/344033483.db2.gz GNBLPSQUWHUAOW-WBVHZDCISA-N 2 1 276.424 2.475 20 0 CEADMP COCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000081013309 344033486 /nfs/dbraw/zinc/03/34/86/344033486.db2.gz GNBLPSQUWHUAOW-WBVHZDCISA-N 2 1 276.424 2.475 20 0 CEADMP COCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000081013309 344033489 /nfs/dbraw/zinc/03/34/89/344033489.db2.gz GNBLPSQUWHUAOW-WBVHZDCISA-N 2 1 276.424 2.475 20 0 CEADMP COCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000081013309 344033490 /nfs/dbraw/zinc/03/34/90/344033490.db2.gz GNBLPSQUWHUAOW-WBVHZDCISA-N 2 1 276.424 2.475 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000351261607 219087631 /nfs/dbraw/zinc/08/76/31/219087631.db2.gz WZMHBFBTJACTSP-OAHLLOKOSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000351261607 219087633 /nfs/dbraw/zinc/08/76/33/219087633.db2.gz WZMHBFBTJACTSP-OAHLLOKOSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295019084 199303637 /nfs/dbraw/zinc/30/36/37/199303637.db2.gz NBNIHAPKOPPYFD-AGUYFDCRSA-N 2 1 263.360 2.244 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295019084 199303639 /nfs/dbraw/zinc/30/36/39/199303639.db2.gz NBNIHAPKOPPYFD-AGUYFDCRSA-N 2 1 263.360 2.244 20 0 CEADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228204136 539325746 /nfs/dbraw/zinc/32/57/46/539325746.db2.gz CPXKGSGVEZDVOU-LSDHHAIUSA-N 2 1 262.397 2.351 20 0 CEADMP CCc1ncc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000414443545 529754352 /nfs/dbraw/zinc/75/43/52/529754352.db2.gz NPJSNVNENUKVMC-INIZCTEOSA-N 2 1 288.439 2.203 20 0 CEADMP CN1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411154974 529773696 /nfs/dbraw/zinc/77/36/96/529773696.db2.gz LXMFYCMTWIKRSK-UHFFFAOYSA-N 2 1 287.451 2.420 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCF)[C@H](C)C1 ZINC000126892389 187269453 /nfs/dbraw/zinc/26/94/53/187269453.db2.gz SRWWXBCWVCVSAE-ZIAGYGMSSA-N 2 1 260.397 2.073 20 0 CEADMP CCc1ccc(CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351489525 219104174 /nfs/dbraw/zinc/10/41/74/219104174.db2.gz HPUAUIXHBOHGOU-YESZJQIVSA-N 2 1 258.409 2.461 20 0 CEADMP CC(C)[C@H](C(=O)N1CC[NH+](C(C)C)CC1)[NH+]1CCCCC1 ZINC000067291172 343733307 /nfs/dbraw/zinc/73/33/07/343733307.db2.gz JAVVXGDBUNGMKL-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CSCCC[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000075682962 343862282 /nfs/dbraw/zinc/86/22/82/343862282.db2.gz CSLVNTCPWDXLPR-UHFFFAOYSA-N 2 1 286.485 2.315 20 0 CEADMP CC(C)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000048463031 362274728 /nfs/dbraw/zinc/27/47/28/362274728.db2.gz KMBCROPTHRGHPI-UHFFFAOYSA-N 2 1 262.397 2.264 20 0 CEADMP COCCNc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000127091448 187281683 /nfs/dbraw/zinc/28/16/83/187281683.db2.gz CBRMTSWGYCKIOD-PBHICJAKSA-N 2 1 291.439 2.175 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNC(=O)CC1CCCCC1 ZINC000089666336 344127382 /nfs/dbraw/zinc/12/73/82/344127382.db2.gz OJCWTZBPACDIGI-ZBFHGGJFSA-N 2 1 295.471 2.003 20 0 CEADMP COc1cc(C)cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000090723756 344142744 /nfs/dbraw/zinc/14/27/44/344142744.db2.gz HDGDXZBYDHHUEG-BBRMVZONSA-N 2 1 262.397 2.433 20 0 CEADMP COc1cc(C)cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000090723755 344143161 /nfs/dbraw/zinc/14/31/61/344143161.db2.gz HDGDXZBYDHHUEG-XJKSGUPXSA-N 2 1 262.397 2.433 20 0 CEADMP CCc1ccc([C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)C)cc1 ZINC000091334540 344161792 /nfs/dbraw/zinc/16/17/92/344161792.db2.gz NAAOSJHDHCGMIE-IRXDYDNUSA-N 2 1 278.440 2.458 20 0 CEADMP CC(C)COCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336783543 365800897 /nfs/dbraw/zinc/80/08/97/365800897.db2.gz ASZMVKMAKFSRQW-UHFFFAOYSA-N 2 1 256.434 2.464 20 0 CEADMP Oc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000093537561 344227232 /nfs/dbraw/zinc/22/72/32/344227232.db2.gz WIKQISLVGRYJHX-DJIMGWMZSA-N 2 1 272.392 2.308 20 0 CEADMP Oc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000093537561 344227235 /nfs/dbraw/zinc/22/72/35/344227235.db2.gz WIKQISLVGRYJHX-DJIMGWMZSA-N 2 1 272.392 2.308 20 0 CEADMP Oc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000093537561 344227237 /nfs/dbraw/zinc/22/72/37/344227237.db2.gz WIKQISLVGRYJHX-DJIMGWMZSA-N 2 1 272.392 2.308 20 0 CEADMP Oc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000093537561 344227241 /nfs/dbraw/zinc/22/72/41/344227241.db2.gz WIKQISLVGRYJHX-DJIMGWMZSA-N 2 1 272.392 2.308 20 0 CEADMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC1CC1)c1ccccc1 ZINC000052040988 362461922 /nfs/dbraw/zinc/46/19/22/362461922.db2.gz VALAEKXVXHYCGJ-HNNXBMFYSA-N 2 1 274.412 2.346 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CCc1ccccc1 ZINC000312759857 344739948 /nfs/dbraw/zinc/73/99/48/344739948.db2.gz NNDINWMDHZJFKV-INIZCTEOSA-N 2 1 278.440 2.300 20 0 CEADMP Cc1cnc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)s1 ZINC000314191597 344744544 /nfs/dbraw/zinc/74/45/44/344744544.db2.gz RHGKSOWEWLOTHA-NSHDSACASA-N 2 1 264.398 2.468 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000314837269 344746117 /nfs/dbraw/zinc/74/61/17/344746117.db2.gz GMJKMIVTGVSBGF-RDJZCZTQSA-N 2 1 288.391 2.034 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000320695101 344752838 /nfs/dbraw/zinc/75/28/38/344752838.db2.gz RBRRSPPYIYCEBX-FRRDWIJNSA-N 2 1 270.417 2.037 20 0 CEADMP c1cn2c([nH+]1)C[C@@H](C[NH2+][C@H]1CCCSCC1)CC2 ZINC000668068675 539407686 /nfs/dbraw/zinc/40/76/86/539407686.db2.gz TVSLJHQSCNIHRZ-STQMWFEESA-N 2 1 265.426 2.321 20 0 CEADMP COC(=O)C1CCC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000380396798 344822459 /nfs/dbraw/zinc/82/24/59/344822459.db2.gz PGXGPZRZFZDTRH-WLYUNCDWSA-N 2 1 282.428 2.038 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000383780981 344827959 /nfs/dbraw/zinc/82/79/59/344827959.db2.gz TZLNRCBXCXPBHZ-CYBMUJFWSA-N 2 1 279.384 2.456 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000383780981 344827961 /nfs/dbraw/zinc/82/79/61/344827961.db2.gz TZLNRCBXCXPBHZ-CYBMUJFWSA-N 2 1 279.384 2.456 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000394450097 344842488 /nfs/dbraw/zinc/84/24/88/344842488.db2.gz SJFLSDAXBNBIGS-MRXNPFEDSA-N 2 1 284.407 2.102 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000394450097 344842491 /nfs/dbraw/zinc/84/24/91/344842491.db2.gz SJFLSDAXBNBIGS-MRXNPFEDSA-N 2 1 284.407 2.102 20 0 CEADMP CCCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CCC1 ZINC000351609668 219145882 /nfs/dbraw/zinc/14/58/82/219145882.db2.gz MBTPRTFUPYNPKS-CVEARBPZSA-N 2 1 268.445 2.390 20 0 CEADMP CCCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CCC1 ZINC000351609668 219145885 /nfs/dbraw/zinc/14/58/85/219145885.db2.gz MBTPRTFUPYNPKS-CVEARBPZSA-N 2 1 268.445 2.390 20 0 CEADMP CCOc1cccc(C[NH2+]CCc2c[nH+]cn2C)c1 ZINC000401744339 344869839 /nfs/dbraw/zinc/86/98/39/344869839.db2.gz UEKWMWRRAFOIJL-UHFFFAOYSA-N 2 1 259.353 2.151 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000401835699 344870426 /nfs/dbraw/zinc/87/04/26/344870426.db2.gz LEMDYRJGNATYCC-UHFFFAOYSA-N 2 1 281.306 2.354 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cn1 ZINC000404492177 344880649 /nfs/dbraw/zinc/88/06/49/344880649.db2.gz BXNVSJACRXWRBA-TZMCWYRMSA-N 2 1 263.385 2.040 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000351618054 219147033 /nfs/dbraw/zinc/14/70/33/219147033.db2.gz DZLYIUJTEXYWQN-ZFWWWQNUSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000351618054 219147035 /nfs/dbraw/zinc/14/70/35/219147035.db2.gz DZLYIUJTEXYWQN-ZFWWWQNUSA-N 2 1 265.401 2.065 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000589134231 345067040 /nfs/dbraw/zinc/06/70/40/345067040.db2.gz QGFTXRJMAIRQHE-HNNXBMFYSA-N 2 1 299.378 2.080 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C[C@H]1C ZINC000591275584 345236411 /nfs/dbraw/zinc/23/64/11/345236411.db2.gz HGNXUSUCUOGEIJ-CBBWQLFWSA-N 2 1 282.428 2.086 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229371076 539465642 /nfs/dbraw/zinc/46/56/42/539465642.db2.gz KVPOTZBFICPHBV-MJBXVCDLSA-N 2 1 252.402 2.147 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000593730810 345528765 /nfs/dbraw/zinc/52/87/65/345528765.db2.gz HKAOSDSYSKPSQE-AAEUAGOBSA-N 2 1 296.436 2.484 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000593730810 345528766 /nfs/dbraw/zinc/52/87/66/345528766.db2.gz HKAOSDSYSKPSQE-AAEUAGOBSA-N 2 1 296.436 2.484 20 0 CEADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NC(C)(C)C ZINC000116396519 232200578 /nfs/dbraw/zinc/20/05/78/232200578.db2.gz HDXATKYMLBGUGV-QWHCGFSZSA-N 2 1 285.476 2.246 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](CC(=O)OC(C)C)C(C)C ZINC000594042874 345571920 /nfs/dbraw/zinc/57/19/20/345571920.db2.gz HTMILYBRMADROO-CQSZACIVSA-N 2 1 281.400 2.147 20 0 CEADMP CCOC(=O)CC[N@@H+](CC[C@H]1CCC[NH+]1C)C(C)C ZINC000594053731 345575031 /nfs/dbraw/zinc/57/50/31/345575031.db2.gz PFTAWQNERNDGJH-CQSZACIVSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CC[NH+](CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000594053731 345575032 /nfs/dbraw/zinc/57/50/32/345575032.db2.gz PFTAWQNERNDGJH-CQSZACIVSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CC[NH+](CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000594053731 345575033 /nfs/dbraw/zinc/57/50/33/345575033.db2.gz PFTAWQNERNDGJH-CQSZACIVSA-N 2 1 270.417 2.134 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2ccc(OC)cc2)C1 ZINC000058359751 362625124 /nfs/dbraw/zinc/62/51/24/362625124.db2.gz MZHITRKVROFLSW-AWEZNQCLSA-N 2 1 278.396 2.005 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2ccc(OC)cc2)C1 ZINC000058359751 362625126 /nfs/dbraw/zinc/62/51/26/362625126.db2.gz MZHITRKVROFLSW-AWEZNQCLSA-N 2 1 278.396 2.005 20 0 CEADMP CCOC(=O)CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000594583466 345651404 /nfs/dbraw/zinc/65/14/04/345651404.db2.gz NOXBRXYAXMBNMI-ZIAGYGMSSA-N 2 1 270.417 2.038 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000594736064 345681689 /nfs/dbraw/zinc/68/16/89/345681689.db2.gz OOBIDGNHHMHXOR-OAHLLOKOSA-N 2 1 296.455 2.287 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC)[NH+](C)C ZINC000594914469 345700241 /nfs/dbraw/zinc/70/02/41/345700241.db2.gz IPUFYWWWYVKIOL-NGFQHRJXSA-N 2 1 284.444 2.140 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[N@H+](C)C1CCCCC1 ZINC000594917034 345700743 /nfs/dbraw/zinc/70/07/43/345700743.db2.gz FYGDURINKYEODX-NWANDNLSSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[N@@H+](C)C1CCCCC1 ZINC000594917034 345700745 /nfs/dbraw/zinc/70/07/45/345700745.db2.gz FYGDURINKYEODX-NWANDNLSSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000594956754 345715903 /nfs/dbraw/zinc/71/59/03/345715903.db2.gz MLUUAPPDWNTQGF-QKPAOTATSA-N 2 1 296.455 2.142 20 0 CEADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000595016217 345727546 /nfs/dbraw/zinc/72/75/46/345727546.db2.gz IPACTARNXWGNOO-JSGCOSHPSA-N 2 1 284.444 2.284 20 0 CEADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000595020912 345729036 /nfs/dbraw/zinc/72/90/36/345729036.db2.gz VPGDGUDUWSCJQL-KGLIPLIRSA-N 2 1 284.444 2.286 20 0 CEADMP CCC[C@H](C(=O)OCC)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507425 345798372 /nfs/dbraw/zinc/79/83/72/345798372.db2.gz MWGIIFJBCAKDCL-ZBFHGGJFSA-N 2 1 282.428 2.136 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000680342356 539526353 /nfs/dbraw/zinc/52/63/53/539526353.db2.gz QEQPYKVLPXRUFZ-HOCLYGCPSA-N 2 1 284.444 2.033 20 0 CEADMP CCC(CC)(C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)OC ZINC000599043664 346451061 /nfs/dbraw/zinc/45/10/61/346451061.db2.gz HRRDQZGRRDFULU-ZDUSSCGKSA-N 2 1 284.444 2.428 20 0 CEADMP COC(=O)C1CCC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000599068626 346455087 /nfs/dbraw/zinc/45/50/87/346455087.db2.gz ASBOIMYARIIHAQ-WLYUNCDWSA-N 2 1 282.428 2.040 20 0 CEADMP COC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1 ZINC000336794658 365816721 /nfs/dbraw/zinc/81/67/21/365816721.db2.gz DQAOPGBTTPKOGT-AGUYFDCRSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCC[NH+]1C ZINC000599312271 346496784 /nfs/dbraw/zinc/49/67/84/346496784.db2.gz FPGDSTGFGRTVMZ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000599312271 346496788 /nfs/dbraw/zinc/49/67/88/346496788.db2.gz FPGDSTGFGRTVMZ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000599312271 346496789 /nfs/dbraw/zinc/49/67/89/346496789.db2.gz FPGDSTGFGRTVMZ-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)[N@H+](CC[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000599694505 346570369 /nfs/dbraw/zinc/57/03/69/346570369.db2.gz IDIODIQUKKQZQE-LXTVHRRPSA-N 2 1 282.428 2.133 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)[NH+](CC[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000599694505 346570371 /nfs/dbraw/zinc/57/03/71/346570371.db2.gz IDIODIQUKKQZQE-LXTVHRRPSA-N 2 1 282.428 2.133 20 0 CEADMP COC(=O)[C@@H]1C[C@@H](C)[NH+](CC[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000599694505 346570375 /nfs/dbraw/zinc/57/03/75/346570375.db2.gz IDIODIQUKKQZQE-LXTVHRRPSA-N 2 1 282.428 2.133 20 0 CEADMP CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600143706 346604865 /nfs/dbraw/zinc/60/48/65/346604865.db2.gz FSDSKJHYAJBDBL-JHJVBQTASA-N 2 1 270.417 2.037 20 0 CEADMP CCOC(=O)C1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCC1 ZINC000600144554 346605589 /nfs/dbraw/zinc/60/55/89/346605589.db2.gz LTDKMFDSXDASHG-ZDUSSCGKSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@H](O)C[C@@H]1CCCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000336810782 365848511 /nfs/dbraw/zinc/84/85/11/365848511.db2.gz JIFFWZDKFVNLAQ-XHSDSOJGSA-N 2 1 268.445 2.486 20 0 CEADMP C[C@H](O)C[C@@H]1CCCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000336810782 365848512 /nfs/dbraw/zinc/84/85/12/365848512.db2.gz JIFFWZDKFVNLAQ-XHSDSOJGSA-N 2 1 268.445 2.486 20 0 CEADMP Cc1cc(C)n(CC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)n1 ZINC000336819765 365866628 /nfs/dbraw/zinc/86/66/28/365866628.db2.gz ALSXRYFZSZIKRL-INIZCTEOSA-N 2 1 278.444 2.306 20 0 CEADMP Cc1cc(C)n(CC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)n1 ZINC000336819765 365866634 /nfs/dbraw/zinc/86/66/34/365866634.db2.gz ALSXRYFZSZIKRL-INIZCTEOSA-N 2 1 278.444 2.306 20 0 CEADMP Cc1cc(C)n(CC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000336819765 365866641 /nfs/dbraw/zinc/86/66/41/365866641.db2.gz ALSXRYFZSZIKRL-INIZCTEOSA-N 2 1 278.444 2.306 20 0 CEADMP Cc1cc(C)n(CC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000336819765 365866644 /nfs/dbraw/zinc/86/66/44/365866644.db2.gz ALSXRYFZSZIKRL-INIZCTEOSA-N 2 1 278.444 2.306 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351847563 219224110 /nfs/dbraw/zinc/22/41/10/219224110.db2.gz AMBAFARULLONBL-OLZOCXBDSA-N 2 1 280.437 2.456 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000351849346 219225172 /nfs/dbraw/zinc/22/51/72/219225172.db2.gz GLLJOJJUIUKJKQ-NVXWUHKLSA-N 2 1 276.424 2.305 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)CCc1ccccc1 ZINC000273310425 192107447 /nfs/dbraw/zinc/10/74/47/192107447.db2.gz WKQNSTQTQQPNSC-AHCXZYCDSA-N 2 1 290.451 2.298 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000336839573 365912370 /nfs/dbraw/zinc/91/23/70/365912370.db2.gz KDYNGKYPVIAAAF-INIZCTEOSA-N 2 1 286.379 2.130 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000336839573 365912374 /nfs/dbraw/zinc/91/23/74/365912374.db2.gz KDYNGKYPVIAAAF-INIZCTEOSA-N 2 1 286.379 2.130 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334378643 539591755 /nfs/dbraw/zinc/59/17/55/539591755.db2.gz GWMXCYPXUACUGM-QGZVFWFLSA-N 2 1 287.407 2.221 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334378643 539591761 /nfs/dbraw/zinc/59/17/61/539591761.db2.gz GWMXCYPXUACUGM-QGZVFWFLSA-N 2 1 287.407 2.221 20 0 CEADMP COC1(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)CCC1 ZINC000339453045 215181715 /nfs/dbraw/zinc/18/17/15/215181715.db2.gz WXNHCBMJUQJHDI-UHFFFAOYSA-N 2 1 283.441 2.254 20 0 CEADMP c1ccc(OCCCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357056232 233000361 /nfs/dbraw/zinc/00/03/61/233000361.db2.gz SIXYIZVBUWCPDQ-JKSUJKDBSA-N 2 1 274.408 2.387 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357084891 233003890 /nfs/dbraw/zinc/00/38/90/233003890.db2.gz KDWXVVJTYMNMEU-CVEARBPZSA-N 2 1 274.408 2.305 20 0 CEADMP C[C@H]1CCC[N@@H+](CCN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623358244 349997649 /nfs/dbraw/zinc/99/76/49/349997649.db2.gz VGPXJMTYSQHXCY-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1CCC[NH+](CCN[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623358244 349997653 /nfs/dbraw/zinc/99/76/53/349997653.db2.gz VGPXJMTYSQHXCY-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1CCC[NH+](CCN[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623358244 349997656 /nfs/dbraw/zinc/99/76/56/349997656.db2.gz VGPXJMTYSQHXCY-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1(C)C ZINC000623361114 349999334 /nfs/dbraw/zinc/99/93/34/349999334.db2.gz NOBQNISWQFYTAO-QLFBSQMISA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000623361114 349999336 /nfs/dbraw/zinc/99/93/36/349999336.db2.gz NOBQNISWQFYTAO-QLFBSQMISA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1(C)C ZINC000623361114 349999337 /nfs/dbraw/zinc/99/93/37/349999337.db2.gz NOBQNISWQFYTAO-QLFBSQMISA-N 2 1 265.445 2.076 20 0 CEADMP Cc1noc(C)c1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339072802 539657603 /nfs/dbraw/zinc/65/76/03/539657603.db2.gz ZOPOREXEFTWAFU-KGLIPLIRSA-N 2 1 263.385 2.050 20 0 CEADMP CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507582 348718872 /nfs/dbraw/zinc/71/88/72/348718872.db2.gz AXYIIYQDNLLEHF-XHSDSOJGSA-N 2 1 297.487 2.201 20 0 CEADMP CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507582 348718874 /nfs/dbraw/zinc/71/88/74/348718874.db2.gz AXYIIYQDNLLEHF-XHSDSOJGSA-N 2 1 297.487 2.201 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617346226 348684850 /nfs/dbraw/zinc/68/48/50/348684850.db2.gz PXYGZPNJKCHRMB-QWHCGFSZSA-N 2 1 283.460 2.142 20 0 CEADMP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)C ZINC000617753694 348780201 /nfs/dbraw/zinc/78/02/01/348780201.db2.gz IKCGBKKVWQQROE-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCN(CCc1c[nH+]cn1C)CC[NH+](CC)CC ZINC000459402873 539690008 /nfs/dbraw/zinc/69/00/08/539690008.db2.gz NYYFTOVZAVBPNO-UHFFFAOYSA-N 2 1 266.433 2.016 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC[NH+]1CCCC[C@H]1C ZINC000339286042 539690773 /nfs/dbraw/zinc/69/07/73/539690773.db2.gz WTNGRFBTJZLVII-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000339286042 539690776 /nfs/dbraw/zinc/69/07/76/539690776.db2.gz WTNGRFBTJZLVII-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)CC[N@H+]1CCCC[C@H]1C ZINC000339286042 539690779 /nfs/dbraw/zinc/69/07/79/539690779.db2.gz WTNGRFBTJZLVII-BZUAXINKSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000618991088 349088827 /nfs/dbraw/zinc/08/88/27/349088827.db2.gz SCQHVBVNQNPFHW-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000619894985 349245164 /nfs/dbraw/zinc/24/51/64/349245164.db2.gz RFAABYVHOJQRFE-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCSCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339664350 215289225 /nfs/dbraw/zinc/28/92/25/215289225.db2.gz AFJDGIIQAHNSMI-YIONKMFJSA-N 2 1 286.485 2.313 20 0 CEADMP CCSCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339664350 215289228 /nfs/dbraw/zinc/28/92/28/215289228.db2.gz AFJDGIIQAHNSMI-YIONKMFJSA-N 2 1 286.485 2.313 20 0 CEADMP CCSCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339664350 215289231 /nfs/dbraw/zinc/28/92/31/215289231.db2.gz AFJDGIIQAHNSMI-YIONKMFJSA-N 2 1 286.485 2.313 20 0 CEADMP Clc1cnccc1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000623388233 350007099 /nfs/dbraw/zinc/00/70/99/350007099.db2.gz BAVQHBJBCSOKKE-LLVKDONJSA-N 2 1 262.744 2.036 20 0 CEADMP CN(C)c1c(CNC[C@@H]2CCC[N@@H+](C)C2)ccc(F)c1F ZINC000623411146 350011890 /nfs/dbraw/zinc/01/18/90/350011890.db2.gz UQHYHZLOQNOBEZ-LBPRGKRZSA-N 2 1 297.393 2.462 20 0 CEADMP CN(C)c1c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccc(F)c1F ZINC000623411146 350011892 /nfs/dbraw/zinc/01/18/92/350011892.db2.gz UQHYHZLOQNOBEZ-LBPRGKRZSA-N 2 1 297.393 2.462 20 0 CEADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623415966 350013717 /nfs/dbraw/zinc/01/37/17/350013717.db2.gz DWGMVEBHAVJNAK-AWEZNQCLSA-N 2 1 255.450 2.181 20 0 CEADMP CCCC[NH+](C)CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623415966 350013718 /nfs/dbraw/zinc/01/37/18/350013718.db2.gz DWGMVEBHAVJNAK-AWEZNQCLSA-N 2 1 255.450 2.181 20 0 CEADMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623415966 350013719 /nfs/dbraw/zinc/01/37/19/350013719.db2.gz DWGMVEBHAVJNAK-AWEZNQCLSA-N 2 1 255.450 2.181 20 0 CEADMP Cc1nccn1CCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623430006 350018607 /nfs/dbraw/zinc/01/86/07/350018607.db2.gz ZMZOEZFXORPUOA-OAHLLOKOSA-N 2 1 278.444 2.434 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623430006 350018610 /nfs/dbraw/zinc/01/86/10/350018610.db2.gz ZMZOEZFXORPUOA-OAHLLOKOSA-N 3 1 278.444 2.434 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623430006 350018612 /nfs/dbraw/zinc/01/86/12/350018612.db2.gz ZMZOEZFXORPUOA-OAHLLOKOSA-N 3 1 278.444 2.434 20 0 CEADMP C[C@@H](Cc1ccncc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623440799 350020827 /nfs/dbraw/zinc/02/08/27/350020827.db2.gz LISZJIMITDDCHK-DZGCQCFKSA-N 2 1 261.413 2.475 20 0 CEADMP CC(C)Cn1nccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657643 350077186 /nfs/dbraw/zinc/07/71/86/350077186.db2.gz VVIIYDWLTLMNOA-HNNXBMFYSA-N 2 1 278.444 2.361 20 0 CEADMP CC(C)Cn1nccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657643 350077190 /nfs/dbraw/zinc/07/71/90/350077190.db2.gz VVIIYDWLTLMNOA-HNNXBMFYSA-N 2 1 278.444 2.361 20 0 CEADMP COC1(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CCCC1 ZINC000623657507 350077239 /nfs/dbraw/zinc/07/72/39/350077239.db2.gz SBDLCSINXOHQFZ-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)CC1(C)C ZINC000623496628 350034841 /nfs/dbraw/zinc/03/48/41/350034841.db2.gz DWTZUWNZDLXCPE-QWHCGFSZSA-N 2 1 254.418 2.406 20 0 CEADMP CO[C@@](C)(C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623528738 350041407 /nfs/dbraw/zinc/04/14/07/350041407.db2.gz AHBVXKLUGDQPRS-ZFWWWQNUSA-N 2 1 254.418 2.264 20 0 CEADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623532446 350043014 /nfs/dbraw/zinc/04/30/14/350043014.db2.gz RUTDLVYYUBLYON-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP C[N@H+]1CC[C@@H](N[C@H]2CC[NH+](C(C)(C)C)C2)CC1(C)C ZINC000623562994 350052779 /nfs/dbraw/zinc/05/27/79/350052779.db2.gz KOFLQKOIKHTAAM-KGLIPLIRSA-N 2 1 267.461 2.322 20 0 CEADMP C[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC000623562994 350052781 /nfs/dbraw/zinc/05/27/81/350052781.db2.gz KOFLQKOIKHTAAM-KGLIPLIRSA-N 2 1 267.461 2.322 20 0 CEADMP C[NH+]1CC[C@@H](N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000623562994 350052787 /nfs/dbraw/zinc/05/27/87/350052787.db2.gz KOFLQKOIKHTAAM-KGLIPLIRSA-N 2 1 267.461 2.322 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)CC1(C)C ZINC000623572714 350054636 /nfs/dbraw/zinc/05/46/36/350054636.db2.gz KYAUBQHKBGUBBE-ZIAGYGMSSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1ncsc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090714571 180028431 /nfs/dbraw/zinc/02/84/31/180028431.db2.gz VCGGXLRKCOPXCN-VXGBXAGGSA-N 2 1 251.399 2.168 20 0 CEADMP Cc1ncsc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090714571 180028433 /nfs/dbraw/zinc/02/84/33/180028433.db2.gz VCGGXLRKCOPXCN-VXGBXAGGSA-N 2 1 251.399 2.168 20 0 CEADMP C[C@H](O)C[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411741782 233275909 /nfs/dbraw/zinc/27/59/09/233275909.db2.gz ASMLPZZBOZKMLS-HNNXBMFYSA-N 2 1 276.424 2.485 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000090720268 180030831 /nfs/dbraw/zinc/03/08/31/180030831.db2.gz LBYYFSGYRJSQML-WCQYABFASA-N 2 1 266.360 2.407 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000090720268 180030832 /nfs/dbraw/zinc/03/08/32/180030832.db2.gz LBYYFSGYRJSQML-WCQYABFASA-N 2 1 266.360 2.407 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000669618847 539756040 /nfs/dbraw/zinc/75/60/40/539756040.db2.gz GRKIUGYOASTWHI-LBPRGKRZSA-N 2 1 296.484 2.128 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000271290166 191053551 /nfs/dbraw/zinc/05/35/51/191053551.db2.gz RSDNCCWSGKVGIE-UHFFFAOYSA-N 2 1 289.427 2.402 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000624121616 350199611 /nfs/dbraw/zinc/19/96/11/350199611.db2.gz YYVICEAXUULENJ-KKUMJFAQSA-N 2 1 254.418 2.123 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)n1 ZINC000624122470 350199836 /nfs/dbraw/zinc/19/98/36/350199836.db2.gz RUUYVFCHEIXQGN-HUUCEWRRSA-N 2 1 291.439 2.343 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC000341119425 539773957 /nfs/dbraw/zinc/77/39/57/539773957.db2.gz LMYTUNOWALTFGE-LBPRGKRZSA-N 2 1 250.390 2.048 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC000341119425 539773962 /nfs/dbraw/zinc/77/39/62/539773962.db2.gz LMYTUNOWALTFGE-LBPRGKRZSA-N 2 1 250.390 2.048 20 0 CEADMP C([NH2+]C1C2CC3CC(C2)CC1C3)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662765 180219782 /nfs/dbraw/zinc/21/97/82/180219782.db2.gz CIGLKDYRFCXAER-RFIAZXKJSA-N 2 1 290.451 2.264 20 0 CEADMP C([NH2+]C1C2CC3CC(C2)CC1C3)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662765 180219783 /nfs/dbraw/zinc/21/97/83/180219783.db2.gz CIGLKDYRFCXAER-RFIAZXKJSA-N 2 1 290.451 2.264 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](OC)C2)[C@H](C)C1 ZINC000624309278 350257661 /nfs/dbraw/zinc/25/76/61/350257661.db2.gz IZVRBMJYUAHBAA-WCXIOVBPSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC([NH3+])CC2)[C@@H]1C ZINC000091847271 180271095 /nfs/dbraw/zinc/27/10/95/180271095.db2.gz FTHGWPUDYRMXQK-KBJXHQRYSA-N 2 1 295.471 2.129 20 0 CEADMP C[N@H+](Cc1noc(-c2ccccc2)n1)C1CCC([NH3+])CC1 ZINC000091847736 180271302 /nfs/dbraw/zinc/27/13/02/180271302.db2.gz JEHPMDGDEOWSHM-UHFFFAOYSA-N 2 1 286.379 2.438 20 0 CEADMP C[N@@H+](Cc1noc(-c2ccccc2)n1)C1CCC([NH3+])CC1 ZINC000091847736 180271305 /nfs/dbraw/zinc/27/13/05/180271305.db2.gz JEHPMDGDEOWSHM-UHFFFAOYSA-N 2 1 286.379 2.438 20 0 CEADMP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC([NH3+])CC2)[C@@H]1C ZINC000091847274 180271376 /nfs/dbraw/zinc/27/13/76/180271376.db2.gz FTHGWPUDYRMXQK-BKAAIYKLSA-N 2 1 295.471 2.129 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCCC[C@H]1CCO ZINC000342068668 539794511 /nfs/dbraw/zinc/79/45/11/539794511.db2.gz UCOWXBHBXFEMIJ-HNNXBMFYSA-N 2 1 265.401 2.209 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCCC[C@H]1CCO ZINC000342068668 539794512 /nfs/dbraw/zinc/79/45/12/539794512.db2.gz UCOWXBHBXFEMIJ-HNNXBMFYSA-N 2 1 265.401 2.209 20 0 CEADMP CC(C)[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000092393980 180376042 /nfs/dbraw/zinc/37/60/42/180376042.db2.gz BFAMQMUKMHOWLT-SFHVURJKSA-N 2 1 290.451 2.300 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1 ZINC000106868603 186143491 /nfs/dbraw/zinc/14/34/91/186143491.db2.gz FCCFKAZIUHHZER-LSDHHAIUSA-N 2 1 290.407 2.420 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC)c1 ZINC000106868603 186143493 /nfs/dbraw/zinc/14/34/93/186143493.db2.gz FCCFKAZIUHHZER-LSDHHAIUSA-N 2 1 290.407 2.420 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130549622 365966504 /nfs/dbraw/zinc/96/65/04/365966504.db2.gz XYWLTBVWPXHFSV-UONOGXRCSA-N 2 1 294.443 2.207 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130549622 365966510 /nfs/dbraw/zinc/96/65/10/365966510.db2.gz XYWLTBVWPXHFSV-UONOGXRCSA-N 2 1 294.443 2.207 20 0 CEADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000568992144 299173061 /nfs/dbraw/zinc/17/30/61/299173061.db2.gz XFEKOXIOOKTYDC-FSUMODHMSA-N 2 1 288.435 2.366 20 0 CEADMP C[C@@]1(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CCCS1 ZINC000628217412 351009273 /nfs/dbraw/zinc/00/92/73/351009273.db2.gz VSZZPRSEFFQZJD-CABCVRRESA-N 2 1 286.485 2.099 20 0 CEADMP CC[C@H](C)[N@@H+](CCO)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000628301550 351050892 /nfs/dbraw/zinc/05/08/92/351050892.db2.gz XINJPJCHYCQHDX-HNNXBMFYSA-N 2 1 294.439 2.220 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1c[nH+]ccc1N ZINC000629514255 351384238 /nfs/dbraw/zinc/38/42/38/351384238.db2.gz PERAEHSZKLSPLC-WFASDCNBSA-N 2 1 283.375 2.286 20 0 CEADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CCOCC1)CCCO2 ZINC000629522186 351388742 /nfs/dbraw/zinc/38/87/42/351388742.db2.gz WZGWBVXMNYWQIZ-HNNXBMFYSA-N 2 1 290.407 2.306 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Cl)cc1 ZINC000629524885 351390681 /nfs/dbraw/zinc/39/06/81/351390681.db2.gz VSXMOAABJIEGLO-NSHDSACASA-N 2 1 268.788 2.499 20 0 CEADMP Cc1cncc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000629533302 351396199 /nfs/dbraw/zinc/39/61/99/351396199.db2.gz TUPWVPKQEATVDB-CVEARBPZSA-N 2 1 259.397 2.212 20 0 CEADMP CO[C@H](C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1ccc(F)cc1 ZINC000629537036 351399102 /nfs/dbraw/zinc/39/91/02/351399102.db2.gz MZBLTEWNYPRNEE-KGLIPLIRSA-N 2 1 268.376 2.476 20 0 CEADMP CO[C@@H](C[NH2+][C@H](C[NH3+])C(C)(C)C)c1ccc(F)cc1 ZINC000629537039 351399377 /nfs/dbraw/zinc/39/93/77/351399377.db2.gz MZBLTEWNYPRNEE-UONOGXRCSA-N 2 1 268.376 2.476 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4c(n3)CCC4)CC[C@@H]21 ZINC000569077623 299177305 /nfs/dbraw/zinc/17/73/05/299177305.db2.gz NGRIUASGOKZEFC-YJBOKZPZSA-N 2 1 285.435 2.486 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4c(n3)CCC4)CC[C@@H]21 ZINC000569077623 299177308 /nfs/dbraw/zinc/17/73/08/299177308.db2.gz NGRIUASGOKZEFC-YJBOKZPZSA-N 2 1 285.435 2.486 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4c(n3)CCC4)CC[C@@H]21 ZINC000569077623 299177312 /nfs/dbraw/zinc/17/73/12/299177312.db2.gz NGRIUASGOKZEFC-YJBOKZPZSA-N 2 1 285.435 2.486 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4c(n3)CCC4)CC[C@@H]21 ZINC000569077623 299177315 /nfs/dbraw/zinc/17/73/15/299177315.db2.gz NGRIUASGOKZEFC-YJBOKZPZSA-N 2 1 285.435 2.486 20 0 CEADMP CC1(C)[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C[C@@H]1OCc1ccccc1 ZINC000629409123 351355137 /nfs/dbraw/zinc/35/51/37/351355137.db2.gz LQYTXCYDQYZDHT-PMPSAXMXSA-N 2 1 274.408 2.322 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000629650527 351448553 /nfs/dbraw/zinc/44/85/53/351448553.db2.gz VHTJCBUXUKUKMZ-WFASDCNBSA-N 2 1 258.365 2.274 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000629650527 351448557 /nfs/dbraw/zinc/44/85/57/351448557.db2.gz VHTJCBUXUKUKMZ-WFASDCNBSA-N 2 1 258.365 2.274 20 0 CEADMP COC1(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCCC1 ZINC000629655862 351452608 /nfs/dbraw/zinc/45/26/08/351452608.db2.gz XVCAGKUWXKEONM-GJZGRUSLSA-N 2 1 266.429 2.267 20 0 CEADMP CCSc1cccc(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000629655126 351452776 /nfs/dbraw/zinc/45/27/76/351452776.db2.gz SFIJVEQWCCCIMK-UHFFFAOYSA-N 2 1 280.437 2.396 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1O ZINC000629672649 351460251 /nfs/dbraw/zinc/46/02/51/351460251.db2.gz XIFLRUJTBPBYIU-SGMGOOAPSA-N 2 1 278.396 2.062 20 0 CEADMP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629550956 351410177 /nfs/dbraw/zinc/41/01/77/351410177.db2.gz QYSIBWPLFYXUPW-RBKKPWLPSA-N 2 1 298.377 2.160 20 0 CEADMP CC(C)OCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565376 351416942 /nfs/dbraw/zinc/41/69/42/351416942.db2.gz WKZVBTHFMYDMHH-NWDGAFQWSA-N 2 1 282.350 2.261 20 0 CEADMP Cc1ccc(-c2cnc(C[N@H+](C)CCOCC[NH3+])o2)cc1 ZINC000629578841 351420454 /nfs/dbraw/zinc/42/04/54/351420454.db2.gz VROUOXMYYZKAGO-UHFFFAOYSA-N 2 1 289.379 2.057 20 0 CEADMP Cc1ccc(-c2cnc(C[N@@H+](C)CCOCC[NH3+])o2)cc1 ZINC000629578841 351420457 /nfs/dbraw/zinc/42/04/57/351420457.db2.gz VROUOXMYYZKAGO-UHFFFAOYSA-N 2 1 289.379 2.057 20 0 CEADMP Cc1ccc(C[N@H+](C)CCOCC[NH3+])c(Cl)c1 ZINC000629580477 351421645 /nfs/dbraw/zinc/42/16/45/351421645.db2.gz DEXZQKDLWXCJJG-UHFFFAOYSA-N 2 1 256.777 2.056 20 0 CEADMP Cc1ccc(C[N@@H+](C)CCOCC[NH3+])c(Cl)c1 ZINC000629580477 351421646 /nfs/dbraw/zinc/42/16/46/351421646.db2.gz DEXZQKDLWXCJJG-UHFFFAOYSA-N 2 1 256.777 2.056 20 0 CEADMP COc1ccc(CC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629584013 351423153 /nfs/dbraw/zinc/42/31/53/351423153.db2.gz JDSXGWKIMRGGAB-CALCHBBNSA-N 2 1 274.408 2.169 20 0 CEADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCc1ccc3c(c1)CCO3)C2 ZINC000629585259 351424080 /nfs/dbraw/zinc/42/40/80/351424080.db2.gz OUOOBAPNQSOZJS-HDICACEKSA-N 2 1 286.419 2.095 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1OC ZINC000070169714 363042204 /nfs/dbraw/zinc/04/22/04/363042204.db2.gz CRCDFRQTDWEBBW-CYBMUJFWSA-N 2 1 278.396 2.265 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000070170578 363044011 /nfs/dbraw/zinc/04/40/11/363044011.db2.gz CKLUVCIUZKWQPI-ZDUSSCGKSA-N 2 1 286.379 2.297 20 0 CEADMP COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1OC ZINC000070171565 363044827 /nfs/dbraw/zinc/04/48/27/363044827.db2.gz ICVLAHNDJUYQRB-QWHCGFSZSA-N 2 1 278.396 2.263 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1OC ZINC000070171565 363044832 /nfs/dbraw/zinc/04/48/32/363044832.db2.gz ICVLAHNDJUYQRB-QWHCGFSZSA-N 2 1 278.396 2.263 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000070174063 363047165 /nfs/dbraw/zinc/04/71/65/363047165.db2.gz DRCPFEIFUFDXJB-WFASDCNBSA-N 2 1 276.380 2.032 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000070173995 363047195 /nfs/dbraw/zinc/04/71/95/363047195.db2.gz NMEKIFSRDDBBPG-ZBFHGGJFSA-N 2 1 284.407 2.432 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)CCCC[NH3+])CC1 ZINC000070202762 363055410 /nfs/dbraw/zinc/05/54/10/363055410.db2.gz IPBAAFHYWHEDIE-UHFFFAOYSA-N 2 1 283.460 2.086 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC000629951096 351550817 /nfs/dbraw/zinc/55/08/17/351550817.db2.gz OFFPUILRTWUHHR-CQSZACIVSA-N 2 1 283.460 2.097 20 0 CEADMP C[NH+](C)CCc1ccccc1NC(=O)C[N@@H+](C)C1CCC1 ZINC000629983930 351570162 /nfs/dbraw/zinc/57/01/62/351570162.db2.gz ZVNQNYGFEPMKAP-UHFFFAOYSA-N 2 1 289.423 2.214 20 0 CEADMP FC(F)(F)CO[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000569104372 299179388 /nfs/dbraw/zinc/17/93/88/299179388.db2.gz IDMQZESHJMUUAX-ZDUSSCGKSA-N 2 1 294.361 2.419 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnn(Cc2ccccc2)c1)C[NH+](C)C ZINC000291673112 198058152 /nfs/dbraw/zinc/05/81/52/198058152.db2.gz GSDZFBPJPQJNQZ-HNNXBMFYSA-N 2 1 286.423 2.219 20 0 CEADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC3OCCO3)C2)CC1 ZINC000124025207 187119089 /nfs/dbraw/zinc/11/90/89/187119089.db2.gz IUJJNIKDLWRPGK-INIZCTEOSA-N 2 1 296.455 2.193 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC3OCCO3)C2)CC1 ZINC000124025021 187119245 /nfs/dbraw/zinc/11/92/45/187119245.db2.gz IUJJNIKDLWRPGK-MRXNPFEDSA-N 2 1 296.455 2.193 20 0 CEADMP COCC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000124099370 187122100 /nfs/dbraw/zinc/12/21/00/187122100.db2.gz DBBZMJKFGGXHMN-OAHLLOKOSA-N 2 1 292.423 2.033 20 0 CEADMP C[C@H](O)C[C@H]1CCCCC[N@H+]1CCCn1ccnc1 ZINC000124257926 187128420 /nfs/dbraw/zinc/12/84/20/187128420.db2.gz YEQQUIHZXXLUAX-LSDHHAIUSA-N 2 1 265.401 2.289 20 0 CEADMP COc1cncc(C[NH2+]CCC[NH+]2CCCCC2)c1C ZINC000631035116 351931268 /nfs/dbraw/zinc/93/12/68/351931268.db2.gz ASIRKMRCQOFZNV-UHFFFAOYSA-N 2 1 277.412 2.364 20 0 CEADMP C[C@H](C[NH2+]Cc1c2c(nn1C)CCCC2)C[NH+]1CCCC1 ZINC000631043806 351935661 /nfs/dbraw/zinc/93/56/61/351935661.db2.gz ATCJVUALDMAIHI-CQSZACIVSA-N 2 1 290.455 2.120 20 0 CEADMP COc1cncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000631044897 351936111 /nfs/dbraw/zinc/93/61/11/351936111.db2.gz QEWQFMGLQRBSPM-CABCVRRESA-N 2 1 275.396 2.115 20 0 CEADMP COc1cncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000631044897 351936114 /nfs/dbraw/zinc/93/61/14/351936114.db2.gz QEWQFMGLQRBSPM-CABCVRRESA-N 2 1 275.396 2.115 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cncn1C ZINC000631196153 352010782 /nfs/dbraw/zinc/01/07/82/352010782.db2.gz NPCIMISASVNNRL-RDJZCZTQSA-N 2 1 298.434 2.278 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cncn1C ZINC000631196153 352010784 /nfs/dbraw/zinc/01/07/84/352010784.db2.gz NPCIMISASVNNRL-RDJZCZTQSA-N 2 1 298.434 2.278 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000291995700 198128547 /nfs/dbraw/zinc/12/85/47/198128547.db2.gz AKEKLQILKNATLX-UONOGXRCSA-N 2 1 291.439 2.379 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC1([NH3+])CCC1 ZINC000237496450 539852997 /nfs/dbraw/zinc/85/29/97/539852997.db2.gz JPTWFSSTWZQAMU-AWEZNQCLSA-N 2 1 281.444 2.029 20 0 CEADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000094085616 539867726 /nfs/dbraw/zinc/86/77/26/539867726.db2.gz IXUQPQIJPMWBOF-KRWDZBQOSA-N 2 1 271.408 2.473 20 0 CEADMP COc1ccc([C@@H](OC)[C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000271560921 191213055 /nfs/dbraw/zinc/21/30/55/191213055.db2.gz UHXYJGSWTCIBDX-GUYCJALGSA-N 2 1 292.423 2.455 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C)[C@@H](F)C2)CC1 ZINC000669692076 539935535 /nfs/dbraw/zinc/93/55/35/539935535.db2.gz GFLWWKYNINPMOW-CVEARBPZSA-N 2 1 285.451 2.082 20 0 CEADMP CC[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccc(F)cc2F)CC1 ZINC000271652588 191261352 /nfs/dbraw/zinc/26/13/52/191261352.db2.gz BNUMHLABPAQNNQ-MRXNPFEDSA-N 2 1 298.377 2.246 20 0 CEADMP CCc1nc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000336452975 213319042 /nfs/dbraw/zinc/31/90/42/213319042.db2.gz ZCUJFWKKSJEBNN-KGLIPLIRSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000336452975 213319045 /nfs/dbraw/zinc/31/90/45/213319045.db2.gz ZCUJFWKKSJEBNN-KGLIPLIRSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)o1 ZINC000336452975 213319047 /nfs/dbraw/zinc/31/90/47/213319047.db2.gz ZCUJFWKKSJEBNN-KGLIPLIRSA-N 2 1 277.412 2.462 20 0 CEADMP CCc1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)o1 ZINC000336452975 213319049 /nfs/dbraw/zinc/31/90/49/213319049.db2.gz ZCUJFWKKSJEBNN-KGLIPLIRSA-N 2 1 277.412 2.462 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000153746931 188100285 /nfs/dbraw/zinc/10/02/85/188100285.db2.gz NYVXUNXGBLCLNB-KRWDZBQOSA-N 2 1 292.423 2.240 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000251536466 539976595 /nfs/dbraw/zinc/97/65/95/539976595.db2.gz AODYAKLMRJMPJD-IUODEOHRSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@@H]1CC[N@@H+](CCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC000309854611 539978501 /nfs/dbraw/zinc/97/85/01/539978501.db2.gz BTKUIOXWRZFKMM-ZBFHGGJFSA-N 2 1 262.397 2.120 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000569378430 299199198 /nfs/dbraw/zinc/19/91/98/299199198.db2.gz RCHAJAOQXKBCDG-RBSFLKMASA-N 2 1 253.434 2.110 20 0 CEADMP CC[C@@H]1CCCCN1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000569378430 299199202 /nfs/dbraw/zinc/19/92/02/299199202.db2.gz RCHAJAOQXKBCDG-RBSFLKMASA-N 3 1 253.434 2.110 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)CC[N@@H+]1C ZINC000156224542 188250552 /nfs/dbraw/zinc/25/05/52/188250552.db2.gz OTXXCSXYULVPBR-HIFRSBDPSA-N 2 1 290.407 2.420 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)CC[N@H+]1C ZINC000156224542 188250553 /nfs/dbraw/zinc/25/05/53/188250553.db2.gz OTXXCSXYULVPBR-HIFRSBDPSA-N 2 1 290.407 2.420 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCO)CC[N@@H+]1Cc1ccccc1 ZINC000156923686 188288521 /nfs/dbraw/zinc/28/85/21/188288521.db2.gz ATWFBYMTOQEELI-WBVHZDCISA-N 2 1 276.424 2.354 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)CCCO)CC[N@H+]1Cc1ccccc1 ZINC000156923686 188288522 /nfs/dbraw/zinc/28/85/22/188288522.db2.gz ATWFBYMTOQEELI-WBVHZDCISA-N 2 1 276.424 2.354 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)CCCO)CC[NH+]1Cc1ccccc1 ZINC000156923686 188288524 /nfs/dbraw/zinc/28/85/24/188288524.db2.gz ATWFBYMTOQEELI-WBVHZDCISA-N 2 1 276.424 2.354 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCO)CC[NH+]1Cc1ccccc1 ZINC000156923686 188288525 /nfs/dbraw/zinc/28/85/25/188288525.db2.gz ATWFBYMTOQEELI-WBVHZDCISA-N 2 1 276.424 2.354 20 0 CEADMP C[N@H+](Cc1ccc2c[nH]nc2c1)CC1CC[NH+](C)CC1 ZINC000132209227 366126579 /nfs/dbraw/zinc/12/65/79/366126579.db2.gz XFVBQTUGTUWGAB-UHFFFAOYSA-N 2 1 272.396 2.337 20 0 CEADMP CCOCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000161917983 188551124 /nfs/dbraw/zinc/55/11/24/188551124.db2.gz JCCDBPXLGCHBEK-UHFFFAOYSA-N 2 1 294.414 2.459 20 0 CEADMP CC(C)C1CC([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000488419245 290397872 /nfs/dbraw/zinc/39/78/72/290397872.db2.gz ZUGJPUWVMALFRM-UHFFFAOYSA-N 2 1 254.418 2.121 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ncccc2C(F)(F)F)C1 ZINC000666853061 540023300 /nfs/dbraw/zinc/02/33/00/540023300.db2.gz BGEBUSNMXKKXME-UWVGGRQHSA-N 2 1 273.302 2.460 20 0 CEADMP CCC(CC)[C@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000133126692 366197572 /nfs/dbraw/zinc/19/75/72/366197572.db2.gz WOXSDLFXQMOKEX-BPUTZDHNSA-N 2 1 269.477 2.283 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000495459775 291039683 /nfs/dbraw/zinc/03/96/83/291039683.db2.gz UZXQPISHTKDUHW-MGPQQGTHSA-N 2 1 299.459 2.220 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414708114 283065146 /nfs/dbraw/zinc/06/51/46/283065146.db2.gz OUMKGLXGLWCUKY-HUUCEWRRSA-N 2 1 255.450 2.024 20 0 CEADMP CC[C@@H]1C[N@@H+](CC)CCN1CCC[NH+]1CCCCC1 ZINC000451746291 283091105 /nfs/dbraw/zinc/09/11/05/283091105.db2.gz YZMRTEVEUKXPSC-MRXNPFEDSA-N 2 1 267.461 2.279 20 0 CEADMP C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000309861828 540160810 /nfs/dbraw/zinc/16/08/10/540160810.db2.gz DKVVFMFFXISORN-RQJABVFESA-N 2 1 299.459 2.218 20 0 CEADMP C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000309861828 540160812 /nfs/dbraw/zinc/16/08/12/540160812.db2.gz DKVVFMFFXISORN-RQJABVFESA-N 2 1 299.459 2.218 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000309827742 540160950 /nfs/dbraw/zinc/16/09/50/540160950.db2.gz BRLJCWKXZGQDEX-MELADBBJSA-N 2 1 299.459 2.077 20 0 CEADMP CO[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CCC[NH+]2C)C12CCC2 ZINC000451862963 283128430 /nfs/dbraw/zinc/12/84/30/283128430.db2.gz YMFJEJPYVTYVPC-RRFJBIMHSA-N 2 1 266.429 2.360 20 0 CEADMP CO[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCC[N@@H+]2C)C12CCC2 ZINC000451862963 283128433 /nfs/dbraw/zinc/12/84/33/283128433.db2.gz YMFJEJPYVTYVPC-RRFJBIMHSA-N 2 1 266.429 2.360 20 0 CEADMP CO[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCC[N@H+]2C)C12CCC2 ZINC000451862963 283128437 /nfs/dbraw/zinc/12/84/37/283128437.db2.gz YMFJEJPYVTYVPC-RRFJBIMHSA-N 2 1 266.429 2.360 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cn1 ZINC000451893639 283136023 /nfs/dbraw/zinc/13/60/23/283136023.db2.gz XZORGSFMGWEPEB-GXTWGEPZSA-N 2 1 250.390 2.038 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cn1 ZINC000451893639 283136027 /nfs/dbraw/zinc/13/60/27/283136027.db2.gz XZORGSFMGWEPEB-GXTWGEPZSA-N 2 1 250.390 2.038 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451911541 283141436 /nfs/dbraw/zinc/14/14/36/283141436.db2.gz PYXXTDMXGBIMSA-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000495891301 291088990 /nfs/dbraw/zinc/08/89/90/291088990.db2.gz KEAMRGDGKOYJDP-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000495891301 291088991 /nfs/dbraw/zinc/08/89/91/291088991.db2.gz KEAMRGDGKOYJDP-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCC1CCCCC1 ZINC000338232234 366243992 /nfs/dbraw/zinc/24/39/92/366243992.db2.gz ALCQBXZXXZAZPD-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCC1CCCCC1 ZINC000338232234 366244001 /nfs/dbraw/zinc/24/40/01/366244001.db2.gz ALCQBXZXXZAZPD-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP Cc1nnc([C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)s1 ZINC000338233568 366245400 /nfs/dbraw/zinc/24/54/00/366245400.db2.gz DEQUWILQPZISQS-JTQLQIEISA-N 2 1 268.430 2.181 20 0 CEADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1CCCCC1 ZINC000386065204 540246378 /nfs/dbraw/zinc/24/63/78/540246378.db2.gz FEJMMTFLSXVQLR-OAHLLOKOSA-N 2 1 256.434 2.342 20 0 CEADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1CCCCC1 ZINC000386065204 540246379 /nfs/dbraw/zinc/24/63/79/540246379.db2.gz FEJMMTFLSXVQLR-OAHLLOKOSA-N 2 1 256.434 2.342 20 0 CEADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1CCCCC1 ZINC000386065204 540246381 /nfs/dbraw/zinc/24/63/81/540246381.db2.gz FEJMMTFLSXVQLR-OAHLLOKOSA-N 2 1 256.434 2.342 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2scnc2C2CC2)C[C@H]1C[NH3+] ZINC000415130346 540250400 /nfs/dbraw/zinc/25/04/00/540250400.db2.gz QOJMSMGHFYVRFE-ZYHUDNBSSA-N 2 1 265.426 2.437 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1scnc1C1CC1 ZINC000414933270 540248235 /nfs/dbraw/zinc/24/82/35/540248235.db2.gz DLEWWRLENRFIOB-ONGXEEELSA-N 2 1 251.399 2.108 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](OC)C2)C1 ZINC000684371367 540253734 /nfs/dbraw/zinc/25/37/34/540253734.db2.gz DHPWPTVOBAXSLJ-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000338315115 366291355 /nfs/dbraw/zinc/29/13/55/366291355.db2.gz LHQZOZVBLMWHJY-HNNXBMFYSA-N 2 1 271.364 2.175 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](COC)CC1 ZINC000452098946 283186343 /nfs/dbraw/zinc/18/63/43/283186343.db2.gz GKMZXTFJFIMROT-OAHLLOKOSA-N 2 1 256.434 2.467 20 0 CEADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)nc1 ZINC000075836661 363493020 /nfs/dbraw/zinc/49/30/20/363493020.db2.gz LSWTXCWDVBAZTE-MRXNPFEDSA-N 2 1 273.424 2.432 20 0 CEADMP c1ccc(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)nc1 ZINC000075836661 363493022 /nfs/dbraw/zinc/49/30/22/363493022.db2.gz LSWTXCWDVBAZTE-MRXNPFEDSA-N 2 1 273.424 2.432 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000076003837 363507250 /nfs/dbraw/zinc/50/72/50/363507250.db2.gz GSZLYDMWLSXVOL-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC000076003837 363507252 /nfs/dbraw/zinc/50/72/52/363507252.db2.gz GSZLYDMWLSXVOL-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccncc1F ZINC000338358752 366315075 /nfs/dbraw/zinc/31/50/75/366315075.db2.gz TYEMXRQNFRJKMT-NSHDSACASA-N 2 1 262.332 2.467 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000452174830 283214327 /nfs/dbraw/zinc/21/43/27/283214327.db2.gz RESBFNPCZHBLEO-UONOGXRCSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCOCC3)CC[N@@H+]1C ZINC000336807442 297287777 /nfs/dbraw/zinc/28/77/77/297287777.db2.gz KAEVAFVUTTZPKX-ILXRZTDVSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCOCC3)CC[N@H+]1C ZINC000336807442 297287779 /nfs/dbraw/zinc/28/77/79/297287779.db2.gz KAEVAFVUTTZPKX-ILXRZTDVSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH+](C)CCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000120935167 538869285 /nfs/dbraw/zinc/86/92/85/538869285.db2.gz FYIXVYMBQMFGFQ-CQSZACIVSA-N 2 1 254.324 2.493 20 0 CEADMP C[C@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)C(C)(C)C ZINC000670268984 540261963 /nfs/dbraw/zinc/26/19/63/540261963.db2.gz AJXKRRSNSQAWHB-CYBMUJFWSA-N 2 1 256.434 2.105 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000577705156 366384236 /nfs/dbraw/zinc/38/42/36/366384236.db2.gz JZQCBUVEXWIXGG-HNNXBMFYSA-N 3 1 279.472 2.182 20 0 CEADMP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000577705156 366384240 /nfs/dbraw/zinc/38/42/40/366384240.db2.gz JZQCBUVEXWIXGG-HNNXBMFYSA-N 2 1 279.472 2.182 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000577705156 366384244 /nfs/dbraw/zinc/38/42/44/366384244.db2.gz JZQCBUVEXWIXGG-HNNXBMFYSA-N 2 1 279.472 2.182 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C)nc1 ZINC000155793965 540311763 /nfs/dbraw/zinc/31/17/63/540311763.db2.gz HYUSWNALUFUSMB-GFCCVEGCSA-N 2 1 258.369 2.321 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC000337201331 291121279 /nfs/dbraw/zinc/12/12/79/291121279.db2.gz CUEVUZGPGKNMEE-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000156204631 540322229 /nfs/dbraw/zinc/32/22/29/540322229.db2.gz XGQVQYXVNAKAAA-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000156825737 540346543 /nfs/dbraw/zinc/34/65/43/540346543.db2.gz VZZSYWYUDXHDBN-CQSZACIVSA-N 3 1 255.450 2.038 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000156825737 540346548 /nfs/dbraw/zinc/34/65/48/540346548.db2.gz VZZSYWYUDXHDBN-CQSZACIVSA-N 3 1 255.450 2.038 20 0 CEADMP CCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000389472552 540357757 /nfs/dbraw/zinc/35/77/57/540357757.db2.gz VFUXTEOZGOUBTC-LUKYLMHMSA-N 2 1 279.472 2.371 20 0 CEADMP CCCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000389472552 540357761 /nfs/dbraw/zinc/35/77/61/540357761.db2.gz VFUXTEOZGOUBTC-LUKYLMHMSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(CO)Cc2ccccc2)CC[N@H+]1C ZINC000358044771 540371377 /nfs/dbraw/zinc/37/13/77/540371377.db2.gz GEYMGBRTKZXZRB-NJAFHUGGSA-N 2 1 290.451 2.300 20 0 CEADMP C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000390555588 540391759 /nfs/dbraw/zinc/39/17/59/540391759.db2.gz IFEMBALAZRZXKP-OIISXLGYSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000390555588 540391763 /nfs/dbraw/zinc/39/17/63/540391763.db2.gz IFEMBALAZRZXKP-OIISXLGYSA-N 2 1 275.440 2.366 20 0 CEADMP COCCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000079435322 363600230 /nfs/dbraw/zinc/60/02/30/363600230.db2.gz FPWSQGMJPGANBP-DLBZAZTESA-N 2 1 298.471 2.236 20 0 CEADMP COCCOCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000079435322 363600235 /nfs/dbraw/zinc/60/02/35/363600235.db2.gz FPWSQGMJPGANBP-DLBZAZTESA-N 2 1 298.471 2.236 20 0 CEADMP COCCOCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000079435322 363600240 /nfs/dbraw/zinc/60/02/40/363600240.db2.gz FPWSQGMJPGANBP-DLBZAZTESA-N 2 1 298.471 2.236 20 0 CEADMP COCCOCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000079435322 363600244 /nfs/dbraw/zinc/60/02/44/363600244.db2.gz FPWSQGMJPGANBP-DLBZAZTESA-N 2 1 298.471 2.236 20 0 CEADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000294728949 199155921 /nfs/dbraw/zinc/15/59/21/199155921.db2.gz BMCFQCLUAIUVKA-DFBDCSAJSA-N 2 1 286.419 2.010 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C[C@@H]1C[NH3+] ZINC000167788188 540400687 /nfs/dbraw/zinc/40/06/87/540400687.db2.gz MWHLLPDPIFZZCJ-ILXRZTDVSA-N 2 1 274.408 2.469 20 0 CEADMP C[C@H]1C[C@H](NCC[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000157406265 291146200 /nfs/dbraw/zinc/14/62/00/291146200.db2.gz VWZKZXINANFUKL-LSDHHAIUSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@H]1C[C@H](NCC[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000157406265 291146202 /nfs/dbraw/zinc/14/62/02/291146202.db2.gz VWZKZXINANFUKL-LSDHHAIUSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@H]1C[C@H](NCC[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000157406265 291146204 /nfs/dbraw/zinc/14/62/04/291146204.db2.gz VWZKZXINANFUKL-LSDHHAIUSA-N 2 1 267.461 2.323 20 0 CEADMP CCC[NH2+][C@@H](C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000294839314 199207025 /nfs/dbraw/zinc/20/70/25/199207025.db2.gz SZLBRFXEKDHXMN-HNNXBMFYSA-N 2 1 291.439 2.013 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000414959208 236574622 /nfs/dbraw/zinc/57/46/22/236574622.db2.gz PVNWNMKRBRRZJF-LRDDRELGSA-N 2 1 288.370 2.099 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000578187312 366455014 /nfs/dbraw/zinc/45/50/14/366455014.db2.gz XWRUCHUWIUYSME-ABHRYQDASA-N 2 1 282.453 2.490 20 0 CEADMP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000578187312 366455015 /nfs/dbraw/zinc/45/50/15/366455015.db2.gz XWRUCHUWIUYSME-ABHRYQDASA-N 2 1 282.453 2.490 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000570832007 299280533 /nfs/dbraw/zinc/28/05/33/299280533.db2.gz OKBFELIYFZSVQD-HOCLYGCPSA-N 2 1 276.428 2.295 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496850243 291176558 /nfs/dbraw/zinc/17/65/58/291176558.db2.gz WSPQFDWRDPYXDR-DOMZBBRYSA-N 2 1 291.395 2.277 20 0 CEADMP C[C@H]1[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCC12CCOCC2 ZINC000414749276 291179949 /nfs/dbraw/zinc/17/99/49/291179949.db2.gz VVQQJGWGVAWMEX-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H](CO)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723421 540493237 /nfs/dbraw/zinc/49/32/37/540493237.db2.gz XGQDFNKHQRNBMO-SJLPKXTDSA-N 2 1 288.435 2.213 20 0 CEADMP C[C@@H](CO)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671723421 540493241 /nfs/dbraw/zinc/49/32/41/540493241.db2.gz XGQDFNKHQRNBMO-SJLPKXTDSA-N 2 1 288.435 2.213 20 0 CEADMP C[C@@H](CO)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723421 540493246 /nfs/dbraw/zinc/49/32/46/540493246.db2.gz XGQDFNKHQRNBMO-SJLPKXTDSA-N 2 1 288.435 2.213 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671739647 540497187 /nfs/dbraw/zinc/49/71/87/540497187.db2.gz GUTZIQHTNDOJKB-JTQLQIEISA-N 2 1 275.352 2.278 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CCCCC2)[C@H]2CCC[C@@H]21 ZINC000671753038 540501868 /nfs/dbraw/zinc/50/18/68/540501868.db2.gz WAPWHODWOQXYEE-PMPSAXMXSA-N 2 1 280.456 2.392 20 0 CEADMP C[C@@]1(O)C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000417356359 237094074 /nfs/dbraw/zinc/09/40/74/237094074.db2.gz PIYNKAVBPDFBKZ-CALCHBBNSA-N 2 1 274.408 2.154 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccnn1CC1CC1 ZINC000668172496 540577994 /nfs/dbraw/zinc/57/79/94/540577994.db2.gz OXPRLDZOYWNLIR-BBRMVZONSA-N 2 1 276.428 2.065 20 0 CEADMP C[C@H](Cc1cnccn1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000453064543 283463325 /nfs/dbraw/zinc/46/33/25/283463325.db2.gz WTTBSQGEBCEDCO-CQSZACIVSA-N 2 1 276.428 2.262 20 0 CEADMP COC1([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)CCOCC1 ZINC000453111453 283476058 /nfs/dbraw/zinc/47/60/58/283476058.db2.gz RYBTXGKFRIBPQP-UONOGXRCSA-N 2 1 295.427 2.001 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000341697909 216070924 /nfs/dbraw/zinc/07/09/24/216070924.db2.gz XIJKVNMHWXAXQQ-GFCCVEGCSA-N 2 1 270.417 2.181 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000297568410 200230383 /nfs/dbraw/zinc/23/03/83/200230383.db2.gz GOLAXHJLLVTOMD-YRGRVCCFSA-N 2 1 273.384 2.320 20 0 CEADMP O[C@H](CCc1ccccc1)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297594557 200237385 /nfs/dbraw/zinc/23/73/85/200237385.db2.gz JNOOKRREBMDXJW-GOSISDBHSA-N 2 1 288.435 2.197 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](O)c1cccc(F)c1 ZINC000297822603 200287107 /nfs/dbraw/zinc/28/71/07/200287107.db2.gz YZZOMBDQAXDLQS-YVEFUNNKSA-N 2 1 292.398 2.464 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCN(C)Cc1ccccc1 ZINC000151029393 366614069 /nfs/dbraw/zinc/61/40/69/366614069.db2.gz RQGNEONWPNSZJR-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC[NH+](C)Cc1ccccc1 ZINC000151029393 366614072 /nfs/dbraw/zinc/61/40/72/366614072.db2.gz RQGNEONWPNSZJR-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC[NH+](C)Cc1ccccc1 ZINC000151029393 366614075 /nfs/dbraw/zinc/61/40/75/366614075.db2.gz RQGNEONWPNSZJR-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCC[N@H+](C)Cc1ccccc1 ZINC000151029393 366614077 /nfs/dbraw/zinc/61/40/77/366614077.db2.gz RQGNEONWPNSZJR-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCC[N@@H+](C)Cc1ccccc1 ZINC000151029393 366614079 /nfs/dbraw/zinc/61/40/79/366614079.db2.gz RQGNEONWPNSZJR-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP CC[C@H](C[NH2+][C@H](CC)[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000151704551 366660810 /nfs/dbraw/zinc/66/08/10/366660810.db2.gz ACKVNIMGRYUVFA-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@](O)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000298327812 200396292 /nfs/dbraw/zinc/39/62/92/200396292.db2.gz IRMHAWLGSAUSHR-QGZVFWFLSA-N 2 1 274.408 2.111 20 0 CEADMP CCC[NH+]1CCC(CNc2cc(C)[nH+]c(CC)n2)CC1 ZINC000341839684 216123007 /nfs/dbraw/zinc/12/30/07/216123007.db2.gz BDPPADFMOOWWKA-UHFFFAOYSA-N 2 1 276.428 2.303 20 0 CEADMP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1n[nH]c2ccccc21 ZINC000674711071 540770511 /nfs/dbraw/zinc/77/05/11/540770511.db2.gz NRWXHNTWMAKWQY-ZDUSSCGKSA-N 2 1 290.411 2.009 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178700993 189138971 /nfs/dbraw/zinc/13/89/71/189138971.db2.gz XIKVYIMLKJNZAM-NWDGAFQWSA-N 2 1 275.400 2.220 20 0 CEADMP Fc1ccc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000178958116 189157107 /nfs/dbraw/zinc/15/71/07/189157107.db2.gz CBCRJJFHLKPIDT-INIZCTEOSA-N 2 1 278.371 2.199 20 0 CEADMP Cc1cc(C)n(-c2ccc(C[NH2+]CC3([NH3+])CCC3)cc2)n1 ZINC000342131664 216232515 /nfs/dbraw/zinc/23/25/15/216232515.db2.gz IOBOJBWJKIFPBW-UHFFFAOYSA-N 2 1 284.407 2.460 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C)O)cc1 ZINC000179579145 189204560 /nfs/dbraw/zinc/20/45/60/189204560.db2.gz GNNWAZJGQBFQAO-NWDGAFQWSA-N 2 1 259.353 2.212 20 0 CEADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccoc1 ZINC000676056405 540893732 /nfs/dbraw/zinc/89/37/32/540893732.db2.gz FFALEYZQBMFPPR-CYBMUJFWSA-N 2 1 289.379 2.466 20 0 CEADMP CCCC[C@H](COC)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882366 540878548 /nfs/dbraw/zinc/87/85/48/540878548.db2.gz RFLMFYRELQUFBO-SJORKVTESA-N 2 1 298.471 2.425 20 0 CEADMP CCC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882883 540878678 /nfs/dbraw/zinc/87/86/78/540878678.db2.gz UONBEYDXINBQIC-DZGCQCFKSA-N 2 1 254.418 2.408 20 0 CEADMP CCOC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000676223082 540906593 /nfs/dbraw/zinc/90/65/93/540906593.db2.gz AXUHSCHXQYKFNC-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP CCc1ccccc1NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000571648525 299320827 /nfs/dbraw/zinc/32/08/27/299320827.db2.gz UDDDKPJCTCARIP-UHFFFAOYSA-N 2 1 289.423 2.248 20 0 CEADMP C[C@H]1C[C@H](NCc2cn3cccc(F)c3n2)CC[N@H+]1C ZINC000677323073 541004273 /nfs/dbraw/zinc/00/42/73/541004273.db2.gz XQQVXDWCSGRSKM-NWDGAFQWSA-N 2 1 276.359 2.046 20 0 CEADMP Cc1nocc1C[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000339263334 366694853 /nfs/dbraw/zinc/69/48/53/366694853.db2.gz KAXUADLPJDUXQV-UHFFFAOYSA-N 2 1 286.379 2.445 20 0 CEADMP COC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000181705156 189304983 /nfs/dbraw/zinc/30/49/83/189304983.db2.gz FEGLIYXTIZSKGX-HOTGVXAUSA-N 2 1 262.397 2.448 20 0 CEADMP COC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000181705156 189304984 /nfs/dbraw/zinc/30/49/84/189304984.db2.gz FEGLIYXTIZSKGX-HOTGVXAUSA-N 2 1 262.397 2.448 20 0 CEADMP COc1ncc(C[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000638675588 370677997 /nfs/dbraw/zinc/67/79/97/370677997.db2.gz XGOGYIIEJVQWFS-UHFFFAOYSA-N 2 1 280.397 2.227 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccns1 ZINC000638674144 370678841 /nfs/dbraw/zinc/67/88/41/370678841.db2.gz FYCNWDPJSZWZCU-UHFFFAOYSA-N 2 1 250.371 2.218 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000580084054 366747546 /nfs/dbraw/zinc/74/75/46/366747546.db2.gz KQXCELPFLHYEBZ-HIFRSBDPSA-N 2 1 282.815 2.100 20 0 CEADMP CC(C)([NH3+])C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000580071426 366745158 /nfs/dbraw/zinc/74/51/58/366745158.db2.gz VZNAXOIKVWXGCJ-UHFFFAOYSA-N 2 1 296.440 2.195 20 0 CEADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154254766 366764412 /nfs/dbraw/zinc/76/44/12/366764412.db2.gz PDGWCRZAIHRRTB-QWRGUYRKSA-N 2 1 290.860 2.235 20 0 CEADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1 ZINC000154238762 366764443 /nfs/dbraw/zinc/76/44/43/366764443.db2.gz OSRPVCMXAFYORR-LSDHHAIUSA-N 2 1 250.386 2.040 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000154287582 366765943 /nfs/dbraw/zinc/76/59/43/366765943.db2.gz KIDFNOPLSIKMTC-JKSUJKDBSA-N 2 1 297.487 2.199 20 0 CEADMP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000155331253 366816190 /nfs/dbraw/zinc/81/61/90/366816190.db2.gz VOLWQVYUJCYSLA-ZIAGYGMSSA-N 2 1 256.434 2.248 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000581831888 366825550 /nfs/dbraw/zinc/82/55/50/366825550.db2.gz AHHJIBARYRJHDW-WBVHZDCISA-N 2 1 276.424 2.348 20 0 CEADMP C[N@H+]1CCC[C@H]1CCNC(C)(C)C(=O)Nc1ccccc1 ZINC000678078894 541078683 /nfs/dbraw/zinc/07/86/83/541078683.db2.gz ZDFIXZOQMGFORC-HNNXBMFYSA-N 2 1 289.423 2.478 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000678078894 541078684 /nfs/dbraw/zinc/07/86/84/541078684.db2.gz ZDFIXZOQMGFORC-HNNXBMFYSA-N 2 1 289.423 2.478 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000678078894 541078688 /nfs/dbraw/zinc/07/86/88/541078688.db2.gz ZDFIXZOQMGFORC-HNNXBMFYSA-N 2 1 289.423 2.478 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCCNc1nc(N(C)C)cc[nH+]1 ZINC000301739413 201167653 /nfs/dbraw/zinc/16/76/53/201167653.db2.gz SXZHMVWHUPYMMX-CYBMUJFWSA-N 2 1 277.416 2.219 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNc1nc(N(C)C)cc[nH+]1 ZINC000301739413 201167658 /nfs/dbraw/zinc/16/76/58/201167658.db2.gz SXZHMVWHUPYMMX-CYBMUJFWSA-N 2 1 277.416 2.219 20 0 CEADMP COc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1OC ZINC000019905673 361565990 /nfs/dbraw/zinc/56/59/90/361565990.db2.gz FAMBGRSQKWGRAX-UHFFFAOYSA-N 2 1 280.412 2.381 20 0 CEADMP COC(C)(C)C[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678337663 541117901 /nfs/dbraw/zinc/11/79/01/541117901.db2.gz ZZFJKOHWOAZXTM-UHFFFAOYSA-N 2 1 294.439 2.484 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000678343676 541119338 /nfs/dbraw/zinc/11/93/38/541119338.db2.gz WUPOOUXTTDQWRG-HUUCEWRRSA-N 2 1 282.391 2.036 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)cn1 ZINC000031995028 361724573 /nfs/dbraw/zinc/72/45/73/361724573.db2.gz COHJDAPUMMKLSO-KRWDZBQOSA-N 2 1 282.391 2.058 20 0 CEADMP C[C@@H]1C[C@H](Nc2ccc3c(c2)[nH+]cn3C)CC[N@@H+]1C ZINC000679153219 541222951 /nfs/dbraw/zinc/22/29/51/541222951.db2.gz PMXZYLWAEROBHG-DGCLKSJQSA-N 2 1 258.369 2.468 20 0 CEADMP C[C@@H]1C[C@H](Nc2ccc3c(c2)[nH+]cn3C)CC[N@H+]1C ZINC000679153219 541222953 /nfs/dbraw/zinc/22/29/53/541222953.db2.gz PMXZYLWAEROBHG-DGCLKSJQSA-N 2 1 258.369 2.468 20 0 CEADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CCCCO ZINC000679341481 541260589 /nfs/dbraw/zinc/26/05/89/541260589.db2.gz HSNHMXFOYHQBQR-CABCVRRESA-N 2 1 256.434 2.392 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CCCCO ZINC000679341481 541260593 /nfs/dbraw/zinc/26/05/93/541260593.db2.gz HSNHMXFOYHQBQR-CABCVRRESA-N 2 1 256.434 2.392 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000679439084 541275267 /nfs/dbraw/zinc/27/52/67/541275267.db2.gz TXRVAWKRKLTGNA-INIZCTEOSA-N 3 1 288.439 2.078 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000087528212 363860311 /nfs/dbraw/zinc/86/03/11/363860311.db2.gz YGQGUOODKKNWCK-INIZCTEOSA-N 2 1 297.487 2.188 20 0 CEADMP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000237564865 370733681 /nfs/dbraw/zinc/73/36/81/370733681.db2.gz HLXAMBCWYDMEAE-VNQPRFMTSA-N 2 1 289.423 2.018 20 0 CEADMP C[NH+](C)CC[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C(C)(C)C ZINC000572014017 299340603 /nfs/dbraw/zinc/34/06/03/299340603.db2.gz OUJBYWKSZCLWHM-CQSZACIVSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C2([NH3+])CCCCC2)C1 ZINC000237535573 370729474 /nfs/dbraw/zinc/72/94/74/370729474.db2.gz XIUNDPLWVBFBHL-OAHLLOKOSA-N 2 1 295.471 2.276 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237677827 370744361 /nfs/dbraw/zinc/74/43/61/370744361.db2.gz MQOOQAQSGVSVMA-GDBMZVCRSA-N 2 1 289.423 2.067 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3ccsc3C2)CC[NH2+]1 ZINC000334856300 364277957 /nfs/dbraw/zinc/27/79/57/364277957.db2.gz HWCHTCKXCSBUNL-NEPJUHHUSA-N 2 1 250.411 2.494 20 0 CEADMP Fc1ccc([C@H]2CC[NH2+]C[C@H]2NC2CCOCC2)cc1F ZINC000335006122 364341551 /nfs/dbraw/zinc/34/15/51/364341551.db2.gz INZVRPHBEVYGEJ-CZUORRHYSA-N 2 1 296.361 2.179 20 0 CEADMP Nc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000334983758 364309031 /nfs/dbraw/zinc/30/90/31/364309031.db2.gz NYHSMUMWVYGIJV-GOEBONIOSA-N 2 1 259.397 2.233 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC000340292282 366837789 /nfs/dbraw/zinc/83/77/89/366837789.db2.gz SYHDEUYEMKREAH-MRXNPFEDSA-N 2 1 270.461 2.447 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000158885311 366860392 /nfs/dbraw/zinc/86/03/92/366860392.db2.gz CQMKPTFMCIPZPV-HNSVSWJLSA-N 2 1 276.428 2.267 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000158885311 366860395 /nfs/dbraw/zinc/86/03/95/366860395.db2.gz CQMKPTFMCIPZPV-HNSVSWJLSA-N 2 1 276.428 2.267 20 0 CEADMP C[C@H]1CCCC[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000104140395 364681562 /nfs/dbraw/zinc/68/15/62/364681562.db2.gz XUUSCSZNPMJDNC-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H]2CSc3ccccc3O2)CC1 ZINC000335384315 364697574 /nfs/dbraw/zinc/69/75/74/364697574.db2.gz FNPGZKUAURUKLI-CYBMUJFWSA-N 2 1 278.421 2.224 20 0 CEADMP C[C@H]1CCC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000110758060 364723111 /nfs/dbraw/zinc/72/31/11/364723111.db2.gz BHOQVKFKPMIJPA-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP c1cc2c(c(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c1)NCC2 ZINC000335632535 212347433 /nfs/dbraw/zinc/34/74/33/212347433.db2.gz HCEBHEDYNQMWMS-HOTGVXAUSA-N 2 1 285.435 2.476 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H]1CCc2c1cccc2Br ZINC000335468298 364775280 /nfs/dbraw/zinc/77/52/80/364775280.db2.gz PUJYNTCVQQRBIG-PELKAZGASA-N 2 1 269.186 2.373 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(-n4cccn4)c3)C2)C1 ZINC000335699782 364851821 /nfs/dbraw/zinc/85/18/21/364851821.db2.gz HQYCCQCROWFFMK-GOSISDBHSA-N 2 1 296.418 2.400 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(-n4cccn4)c3)C2)C1 ZINC000335699782 364851824 /nfs/dbraw/zinc/85/18/24/364851824.db2.gz HQYCCQCROWFFMK-GOSISDBHSA-N 2 1 296.418 2.400 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(-n4cccn4)c3)C2)C1 ZINC000335699782 364851826 /nfs/dbraw/zinc/85/18/26/364851826.db2.gz HQYCCQCROWFFMK-GOSISDBHSA-N 2 1 296.418 2.400 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000113655238 364907817 /nfs/dbraw/zinc/90/78/17/364907817.db2.gz ZJQVOIWGOYVFFC-GXTWGEPZSA-N 2 1 278.396 2.263 20 0 CEADMP Cn1c2ccccc2cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1=O ZINC000335608922 212320680 /nfs/dbraw/zinc/32/06/80/212320680.db2.gz DDXKSSPFZMMERO-HOTGVXAUSA-N 2 1 299.418 2.288 20 0 CEADMP Cc1cc(-n2ccnc2)ccc1CN1CCOC[C@@H]1C ZINC000335761200 364944797 /nfs/dbraw/zinc/94/47/97/364944797.db2.gz YXFVBOCFMMTCLX-AWEZNQCLSA-N 2 1 271.364 2.401 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)n21 ZINC000335758633 364940584 /nfs/dbraw/zinc/94/05/84/364940584.db2.gz JHWVDYIYKNUCEC-KGLIPLIRSA-N 2 1 272.396 2.202 20 0 CEADMP Cc1cccc2ncc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)n21 ZINC000335758633 364940585 /nfs/dbraw/zinc/94/05/85/364940585.db2.gz JHWVDYIYKNUCEC-KGLIPLIRSA-N 2 1 272.396 2.202 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000335786522 364981545 /nfs/dbraw/zinc/98/15/45/364981545.db2.gz VBKLMBHMMSXKAI-CJNGLKHVSA-N 2 1 284.407 2.256 20 0 CEADMP CCCn1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cn1 ZINC000116914113 365081153 /nfs/dbraw/zinc/08/11/53/365081153.db2.gz OJPJWAFTDOEYLV-AWEZNQCLSA-N 2 1 264.417 2.115 20 0 CEADMP CC[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000117344802 365105027 /nfs/dbraw/zinc/10/50/27/365105027.db2.gz HOHDFVIZMGNARP-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1ncsc1CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335918428 365162484 /nfs/dbraw/zinc/16/24/84/365162484.db2.gz OOOQZJFZYCPKIR-CQSZACIVSA-N 2 1 265.426 2.022 20 0 CEADMP Cc1ncsc1CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335918428 365162489 /nfs/dbraw/zinc/16/24/89/365162489.db2.gz OOOQZJFZYCPKIR-CQSZACIVSA-N 2 1 265.426 2.022 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335918428 365162491 /nfs/dbraw/zinc/16/24/91/365162491.db2.gz OOOQZJFZYCPKIR-CQSZACIVSA-N 2 1 265.426 2.022 20 0 CEADMP COc1ccccc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000275338530 193004407 /nfs/dbraw/zinc/00/44/07/193004407.db2.gz WPACZQFKLGSRKN-ZFWWWQNUSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000275338530 193004410 /nfs/dbraw/zinc/00/44/10/193004410.db2.gz WPACZQFKLGSRKN-ZFWWWQNUSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccccc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000275338530 193004411 /nfs/dbraw/zinc/00/44/11/193004411.db2.gz WPACZQFKLGSRKN-ZFWWWQNUSA-N 2 1 262.397 2.467 20 0 CEADMP COc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000275338530 193004414 /nfs/dbraw/zinc/00/44/14/193004414.db2.gz WPACZQFKLGSRKN-ZFWWWQNUSA-N 2 1 262.397 2.467 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357377466 370813651 /nfs/dbraw/zinc/81/36/51/370813651.db2.gz PEMYOUFUUPYTSB-GASCZTMLSA-N 2 1 295.471 2.227 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000119395644 365267644 /nfs/dbraw/zinc/26/76/44/365267644.db2.gz YFBKDQHDDKYWFK-KRWDZBQOSA-N 2 1 287.407 2.421 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000119395644 365267649 /nfs/dbraw/zinc/26/76/49/365267649.db2.gz YFBKDQHDDKYWFK-KRWDZBQOSA-N 2 1 287.407 2.421 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCOCCC(C)C)[C@H](C)C1 ZINC000119531923 365287541 /nfs/dbraw/zinc/28/75/41/365287541.db2.gz SXKSPLKNSRHPRO-CABCVRRESA-N 2 1 256.434 2.369 20 0 CEADMP COc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000119835074 365331434 /nfs/dbraw/zinc/33/14/34/365331434.db2.gz HNAZGIRLUCPSMH-ZFWWWQNUSA-N 2 1 262.397 2.433 20 0 CEADMP COc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000119835074 365331441 /nfs/dbraw/zinc/33/14/41/365331441.db2.gz HNAZGIRLUCPSMH-ZFWWWQNUSA-N 2 1 262.397 2.433 20 0 CEADMP CC[C@@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275687013 193104778 /nfs/dbraw/zinc/10/47/78/193104778.db2.gz IXGZKJBRSMJQIQ-XIRDDKMYSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@@H](C)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000120717016 365464943 /nfs/dbraw/zinc/46/49/43/365464943.db2.gz XSPMVVNKJOVJDS-HZPDHXFCSA-N 2 1 267.461 2.134 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000336117893 365433057 /nfs/dbraw/zinc/43/30/57/365433057.db2.gz LTHACESPZLCMNM-NWDGAFQWSA-N 2 1 255.312 2.169 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000336117893 365433060 /nfs/dbraw/zinc/43/30/60/365433060.db2.gz LTHACESPZLCMNM-NWDGAFQWSA-N 2 1 255.312 2.169 20 0 CEADMP C(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C[NH+]1CCCC1 ZINC000120589178 365446778 /nfs/dbraw/zinc/44/67/78/365446778.db2.gz SRXYDBJEFRKJIL-AEFFLSMTSA-N 2 1 291.483 2.421 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(F)c1 ZINC000275841962 193144253 /nfs/dbraw/zinc/14/42/53/193144253.db2.gz JOAKMRXAWAZBCO-JKSUJKDBSA-N 2 1 280.387 2.323 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)o1 ZINC000336155948 365487806 /nfs/dbraw/zinc/48/78/06/365487806.db2.gz QSMWOFABJFVPTR-GXFFZTMASA-N 2 1 274.368 2.147 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)o1 ZINC000336155948 365487811 /nfs/dbraw/zinc/48/78/11/365487811.db2.gz QSMWOFABJFVPTR-GXFFZTMASA-N 2 1 274.368 2.147 20 0 CEADMP C[C@@H](CC[NH2+][C@@H](C)c1cn[nH]c1)[NH+]1CCCCC1 ZINC000340516433 366916311 /nfs/dbraw/zinc/91/63/11/366916311.db2.gz IFJJWNNFSUCNHK-STQMWFEESA-N 2 1 250.390 2.325 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000582485202 366917124 /nfs/dbraw/zinc/91/71/24/366917124.db2.gz FBDBJRIHXMJTKS-HOTGVXAUSA-N 2 1 289.423 2.067 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CC3Cc4ccccc4C3)C2)C1 ZINC000582523375 366920911 /nfs/dbraw/zinc/92/09/11/366920911.db2.gz LBGXORQPVRECNY-SFHVURJKSA-N 2 1 270.420 2.429 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CC3Cc4ccccc4C3)C2)C1 ZINC000582523375 366920918 /nfs/dbraw/zinc/92/09/18/366920918.db2.gz LBGXORQPVRECNY-SFHVURJKSA-N 2 1 270.420 2.429 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](CC3Cc4ccccc4C3)C2)C1 ZINC000582523375 366920923 /nfs/dbraw/zinc/92/09/23/366920923.db2.gz LBGXORQPVRECNY-SFHVURJKSA-N 2 1 270.420 2.429 20 0 CEADMP C(COCC1CCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000680935825 541476674 /nfs/dbraw/zinc/47/66/74/541476674.db2.gz JQWXCWNBCTWTLQ-GJZGRUSLSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)C[C@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000340663344 366973693 /nfs/dbraw/zinc/97/36/93/366973693.db2.gz WCJZCOGEIAJXLC-LBPRGKRZSA-N 2 1 260.341 2.241 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CO)[C@@H]2CCC[C@H]21 ZINC000582956024 366980678 /nfs/dbraw/zinc/98/06/78/366980678.db2.gz MYXSTEHZVYOACA-YESZJQIVSA-N 2 1 274.408 2.141 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000583262736 367023525 /nfs/dbraw/zinc/02/35/25/367023525.db2.gz PLOYZIHTKRDWHK-OAHLLOKOSA-N 2 1 275.396 2.348 20 0 CEADMP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000583095785 367000589 /nfs/dbraw/zinc/00/05/89/367000589.db2.gz UZCNDCOLABMPLQ-ZIAGYGMSSA-N 2 1 270.461 2.494 20 0 CEADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000583494040 367057668 /nfs/dbraw/zinc/05/76/68/367057668.db2.gz FUPPBWGPKIRPOX-CZUORRHYSA-N 2 1 290.407 2.041 20 0 CEADMP CCN(CC[NH+]1CCCCCC1)C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000583331350 367033270 /nfs/dbraw/zinc/03/32/70/367033270.db2.gz AQMDEHNTMWHWQD-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@H]1c1ccccc1 ZINC000583945635 367120441 /nfs/dbraw/zinc/12/04/41/367120441.db2.gz BLJUVNLAVNXGKZ-CVEARBPZSA-N 2 1 262.397 2.135 20 0 CEADMP CN(CCC[NH+]1CCCC1)CC[C@@H]1CCCC[N@H+]1C ZINC000162044874 367133420 /nfs/dbraw/zinc/13/34/20/367133420.db2.gz SFFNWZCWBWLSEU-INIZCTEOSA-N 2 1 267.461 2.279 20 0 CEADMP CC(C)[C@H]1N(C[C@@H](O)C[N@@H+](C)C(C)C)CC12CCC2 ZINC000583704586 367086923 /nfs/dbraw/zinc/08/69/23/367086923.db2.gz KYMLLUWYEPNYLU-LSDHHAIUSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[C@H]1[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC12CCC2 ZINC000583704586 367086932 /nfs/dbraw/zinc/08/69/32/367086932.db2.gz KYMLLUWYEPNYLU-LSDHHAIUSA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[C@H]1[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC12CCC2 ZINC000583704586 367086936 /nfs/dbraw/zinc/08/69/36/367086936.db2.gz KYMLLUWYEPNYLU-LSDHHAIUSA-N 2 1 268.445 2.198 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccncc2C)C1 ZINC000583733468 367088259 /nfs/dbraw/zinc/08/82/59/367088259.db2.gz DNOLYGHBIOPCQB-KRWDZBQOSA-N 2 1 291.439 2.323 20 0 CEADMP Cc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)s1 ZINC000161588585 367100041 /nfs/dbraw/zinc/10/00/41/367100041.db2.gz DXBCMWJYHOSHOM-UHFFFAOYSA-N 2 1 281.469 2.126 20 0 CEADMP c1cnn([C@@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000162891840 367200591 /nfs/dbraw/zinc/20/05/91/367200591.db2.gz MTPYGBYPLLQLKH-OAHLLOKOSA-N 2 1 262.401 2.006 20 0 CEADMP c1cnn([C@@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000162891840 367200598 /nfs/dbraw/zinc/20/05/98/367200598.db2.gz MTPYGBYPLLQLKH-OAHLLOKOSA-N 2 1 262.401 2.006 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCNc1ccccn1 ZINC000163819175 367266532 /nfs/dbraw/zinc/26/65/32/367266532.db2.gz TWNOVOXBWDQYLD-KFWWJZLASA-N 2 1 276.428 2.202 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCNc1ccccn1 ZINC000163819412 367267002 /nfs/dbraw/zinc/26/70/02/367267002.db2.gz TWNOVOXBWDQYLD-RBSFLKMASA-N 2 1 276.428 2.202 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000163249935 367227248 /nfs/dbraw/zinc/22/72/48/367227248.db2.gz JVKZNTXXXNQFBF-NEPJUHHUSA-N 2 1 268.788 2.388 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000163249935 367227253 /nfs/dbraw/zinc/22/72/53/367227253.db2.gz JVKZNTXXXNQFBF-NEPJUHHUSA-N 2 1 268.788 2.388 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000163308290 367230678 /nfs/dbraw/zinc/23/06/78/367230678.db2.gz YYVIXEJUBFYQAK-LSDHHAIUSA-N 2 1 299.422 2.260 20 0 CEADMP COc1ccc(OC)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000163408129 367237021 /nfs/dbraw/zinc/23/70/21/367237021.db2.gz ICOGKTLVZAPZHC-OCCSQVGLSA-N 2 1 278.396 2.121 20 0 CEADMP COc1ccc(OC)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000163408129 367237031 /nfs/dbraw/zinc/23/70/31/367237031.db2.gz ICOGKTLVZAPZHC-OCCSQVGLSA-N 2 1 278.396 2.121 20 0 CEADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000341245744 367241379 /nfs/dbraw/zinc/24/13/79/367241379.db2.gz DREIBSRXJHIGSK-KFWWJZLASA-N 2 1 278.444 2.467 20 0 CEADMP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000341245744 367241387 /nfs/dbraw/zinc/24/13/87/367241387.db2.gz DREIBSRXJHIGSK-KFWWJZLASA-N 2 1 278.444 2.467 20 0 CEADMP CC(C)n1ccc(C[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)n1 ZINC000341348036 367297231 /nfs/dbraw/zinc/29/72/31/367297231.db2.gz VQDTYGNPDUZKOP-CQSZACIVSA-N 2 1 276.428 2.247 20 0 CEADMP CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000166446091 367322659 /nfs/dbraw/zinc/32/26/59/367322659.db2.gz VNKHRGGRTTZTHI-OWCLPIDISA-N 2 1 295.471 2.083 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000341950545 367380768 /nfs/dbraw/zinc/38/07/68/367380768.db2.gz ILIYVYNJSBRBRQ-RBSFLKMASA-N 2 1 255.450 2.037 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000341950545 367380769 /nfs/dbraw/zinc/38/07/69/367380769.db2.gz ILIYVYNJSBRBRQ-RBSFLKMASA-N 2 1 255.450 2.037 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000341950545 367380774 /nfs/dbraw/zinc/38/07/74/367380774.db2.gz ILIYVYNJSBRBRQ-RBSFLKMASA-N 2 1 255.450 2.037 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631569431 367407961 /nfs/dbraw/zinc/40/79/61/367407961.db2.gz KALAZFXLWJPOBA-UGUYLWEFSA-N 2 1 278.440 2.266 20 0 CEADMP CCCCNC(=O)CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000341499445 367358526 /nfs/dbraw/zinc/35/85/26/367358526.db2.gz RCZULLXEQLSGND-UHFFFAOYSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631669738 367474039 /nfs/dbraw/zinc/47/40/39/367474039.db2.gz KFFZNFMUCQXDLU-DZJNRPSUSA-N 2 1 288.435 2.258 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000631756101 367525785 /nfs/dbraw/zinc/52/57/85/367525785.db2.gz IQBRMWAZSZRLCH-GHMZBOCLSA-N 2 1 250.308 2.400 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CC12CCOCC2 ZINC000631827512 367565396 /nfs/dbraw/zinc/56/53/96/367565396.db2.gz POJOUVKRJDUYKJ-OLZOCXBDSA-N 2 1 288.382 2.109 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)CC[N@H+]1C ZINC000342813797 367551548 /nfs/dbraw/zinc/55/15/48/367551548.db2.gz UHDQPZXGTQBOBG-IUODEOHRSA-N 2 1 272.396 2.178 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@H]1CCCCO1)CC[NH2+]CC2 ZINC000631829042 367567501 /nfs/dbraw/zinc/56/75/01/367567501.db2.gz FEVHKAQVNBIARG-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc2c1CCOC2 ZINC000631821322 367559634 /nfs/dbraw/zinc/55/96/34/367559634.db2.gz VHLPMQKAAHEFDQ-GUYCJALGSA-N 2 1 274.408 2.461 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc2c1CCOC2 ZINC000631821322 367559642 /nfs/dbraw/zinc/55/96/42/367559642.db2.gz VHLPMQKAAHEFDQ-GUYCJALGSA-N 2 1 274.408 2.461 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000631820919 367560134 /nfs/dbraw/zinc/56/01/34/367560134.db2.gz JYQJHQZNGWZKMH-CQSZACIVSA-N 2 1 274.408 2.191 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000631755640 367524049 /nfs/dbraw/zinc/52/40/49/367524049.db2.gz DQHIVOSQTJMABK-ZRUFSTJUSA-N 2 1 250.308 2.257 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000631755640 367524051 /nfs/dbraw/zinc/52/40/51/367524051.db2.gz DQHIVOSQTJMABK-ZRUFSTJUSA-N 2 1 250.308 2.257 20 0 CEADMP CCn1nc(C)c(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)c1C ZINC000631836293 367575800 /nfs/dbraw/zinc/57/58/00/367575800.db2.gz SXEMNNSCVCGIKW-OAHLLOKOSA-N 2 1 278.444 2.341 20 0 CEADMP CCC1([NH+]2CCCC2)CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000631837572 367577100 /nfs/dbraw/zinc/57/71/00/367577100.db2.gz UWLLLIXFGHJKLC-INIZCTEOSA-N 2 1 279.472 2.326 20 0 CEADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863818 367600250 /nfs/dbraw/zinc/60/02/50/367600250.db2.gz DDEYQALFNWCFON-INIZCTEOSA-N 2 1 280.387 2.323 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)cc2)cn1 ZINC000631889961 367610677 /nfs/dbraw/zinc/61/06/77/367610677.db2.gz NNIDZVHSMBKMLY-WMZOPIPTSA-N 2 1 296.418 2.446 20 0 CEADMP C[N@H+](CCCO)C1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000682069246 541625988 /nfs/dbraw/zinc/62/59/88/541625988.db2.gz DJVONBRHMKKZJP-SFHVURJKSA-N 2 1 288.435 2.453 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000682069246 541625990 /nfs/dbraw/zinc/62/59/90/541625990.db2.gz DJVONBRHMKKZJP-SFHVURJKSA-N 2 1 288.435 2.453 20 0 CEADMP CC[N@H+]1C[C@H](N[C@@H](CCO)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000343102469 367670394 /nfs/dbraw/zinc/67/03/94/367670394.db2.gz LCFHAEVRHKTHFP-JQFCIGGWSA-N 2 1 292.423 2.049 20 0 CEADMP CC[N@@H+]1C[C@H](N[C@@H](CCO)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000343102469 367670399 /nfs/dbraw/zinc/67/03/99/367670399.db2.gz LCFHAEVRHKTHFP-JQFCIGGWSA-N 2 1 292.423 2.049 20 0 CEADMP C(C1CCOCC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172575892 367778534 /nfs/dbraw/zinc/77/85/34/367778534.db2.gz JQYWTDSUDLBXMF-MRXNPFEDSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000245820341 370877148 /nfs/dbraw/zinc/87/71/48/370877148.db2.gz VHGNMIMBDYDLJL-SJORKVTESA-N 2 1 277.456 2.197 20 0 CEADMP C[NH+](CCOCC[N@H+](C)Cc1ccoc1)Cc1ccoc1 ZINC000343653608 367939388 /nfs/dbraw/zinc/93/93/88/367939388.db2.gz UAVWUCQMLUOBDX-UHFFFAOYSA-N 2 1 292.379 2.453 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000682132686 541635040 /nfs/dbraw/zinc/63/50/40/541635040.db2.gz FNOGABALMOPVTN-SNPRPXQTSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]1C[N@@H+](CCOCC[NH+]2C[C@@H](C)[C@H](C)C2)C[C@H]1C ZINC000343748367 367985384 /nfs/dbraw/zinc/98/53/84/367985384.db2.gz WYGPLNHFRXOLQJ-FPCVCCKLSA-N 2 1 268.445 2.179 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000343882822 368056001 /nfs/dbraw/zinc/05/60/01/368056001.db2.gz QWDYOYLZGATVKF-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000344271903 368118871 /nfs/dbraw/zinc/11/88/71/368118871.db2.gz APTAFCPDURTYFI-OAGGEKHMSA-N 2 1 280.456 2.392 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000344368069 368120492 /nfs/dbraw/zinc/12/04/92/368120492.db2.gz COFBBQKYJXNXGP-ILXRZTDVSA-N 2 1 252.402 2.018 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)Cc2ccccc2)[C@H](C)C1 ZINC000175727646 368168906 /nfs/dbraw/zinc/16/89/06/368168906.db2.gz MTXDBWJFMDQPON-KBAYOESNSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)Cc2ccccc2)[C@H](C)C1 ZINC000175727646 368168916 /nfs/dbraw/zinc/16/89/16/368168916.db2.gz MTXDBWJFMDQPON-KBAYOESNSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)Cc2ccccc2)[C@H](C)C1 ZINC000175727646 368168925 /nfs/dbraw/zinc/16/89/25/368168925.db2.gz MTXDBWJFMDQPON-KBAYOESNSA-N 2 1 290.451 2.252 20 0 CEADMP Cn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C(C)(C)C)n1 ZINC000180055070 368366720 /nfs/dbraw/zinc/36/67/20/368366720.db2.gz DJZFQMQYTUYPJW-UHFFFAOYSA-N 2 1 292.471 2.491 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000180550861 368386808 /nfs/dbraw/zinc/38/68/08/368386808.db2.gz QMWJWXYEMQCYQJ-AWEZNQCLSA-N 2 1 292.471 2.491 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000180550861 368386814 /nfs/dbraw/zinc/38/68/14/368386814.db2.gz QMWJWXYEMQCYQJ-AWEZNQCLSA-N 2 1 292.471 2.491 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000180550861 368386821 /nfs/dbraw/zinc/38/68/21/368386821.db2.gz QMWJWXYEMQCYQJ-AWEZNQCLSA-N 2 1 292.471 2.491 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000180550861 368386831 /nfs/dbraw/zinc/38/68/31/368386831.db2.gz QMWJWXYEMQCYQJ-AWEZNQCLSA-N 2 1 292.471 2.491 20 0 CEADMP C[C@@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCCC1 ZINC000345823939 368439985 /nfs/dbraw/zinc/43/99/85/368439985.db2.gz YVPBWGGBSDUXJG-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)c(C)n1 ZINC000682648447 541692646 /nfs/dbraw/zinc/69/26/46/541692646.db2.gz STLZYKZBZSJNER-LBPRGKRZSA-N 2 1 258.369 2.325 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346204198 368590746 /nfs/dbraw/zinc/59/07/46/368590746.db2.gz PJORGOIGQWQHJQ-ZDUSSCGKSA-N 2 1 290.436 2.317 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000182940995 368601672 /nfs/dbraw/zinc/60/16/72/368601672.db2.gz INESOJJKIVBOHN-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP Clc1cnccc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246136744 370914457 /nfs/dbraw/zinc/91/44/57/370914457.db2.gz GCHOHZBIJMSOGI-NSHDSACASA-N 2 1 251.761 2.410 20 0 CEADMP C[C@H]1C[C@@H](N(CCC[NH3+])c2ccccc2F)CC[N@H+]1C ZINC000639037221 370916523 /nfs/dbraw/zinc/91/65/23/370916523.db2.gz GVSULUIXPZWRSI-KBPBESRZSA-N 2 1 279.403 2.464 20 0 CEADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000358202457 370949304 /nfs/dbraw/zinc/94/93/04/370949304.db2.gz ZABRMIBRPOXMRV-UHFFFAOYSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346667951 368761666 /nfs/dbraw/zinc/76/16/66/368761666.db2.gz FMGDXFQTRIMEAZ-IPYPFGDCSA-N 2 1 254.418 2.108 20 0 CEADMP CCc1cnc(C[NH+]2CCC(OCCC[NH3+])CC2)s1 ZINC000346673649 368762493 /nfs/dbraw/zinc/76/24/93/368762493.db2.gz IIOKZHFZWPTRLZ-UHFFFAOYSA-N 2 1 283.441 2.035 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc(-c2ccncc2)s1 ZINC000346673115 368762539 /nfs/dbraw/zinc/76/25/39/368762539.db2.gz HXLAKUKHWQVFKD-NEPJUHHUSA-N 2 1 288.420 2.374 20 0 CEADMP COc1cc2c(c(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)c1)O[C@H](C)C2 ZINC000346670648 368763354 /nfs/dbraw/zinc/76/33/54/368763354.db2.gz GRWJHANOAGRFPA-UPJWGTAASA-N 2 1 290.407 2.188 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346682586 368766709 /nfs/dbraw/zinc/76/67/09/368766709.db2.gz OCYOGLBIXCNZLE-OAHLLOKOSA-N 2 1 277.412 2.450 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346682586 368766716 /nfs/dbraw/zinc/76/67/16/368766716.db2.gz OCYOGLBIXCNZLE-OAHLLOKOSA-N 2 1 277.412 2.450 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000346687071 368769879 /nfs/dbraw/zinc/76/98/79/368769879.db2.gz VANFDOFKLOHAAA-OCCSQVGLSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000346687071 368769885 /nfs/dbraw/zinc/76/98/85/368769885.db2.gz VANFDOFKLOHAAA-OCCSQVGLSA-N 2 1 270.380 2.246 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(Cl)cn2)[C@@H](C)C1 ZINC000246330398 370947535 /nfs/dbraw/zinc/94/75/35/370947535.db2.gz GCDNDSOORMNPFF-GXTWGEPZSA-N 2 1 297.830 2.434 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346646136 368749412 /nfs/dbraw/zinc/74/94/12/368749412.db2.gz ACQYKTQFJRPHLO-SMDDNHRTSA-N 2 1 278.444 2.424 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000346650566 368751300 /nfs/dbraw/zinc/75/13/00/368751300.db2.gz CSCHTMITJMQLFS-TZMCWYRMSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000346650566 368751306 /nfs/dbraw/zinc/75/13/06/368751306.db2.gz CSCHTMITJMQLFS-TZMCWYRMSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000346650566 368751311 /nfs/dbraw/zinc/75/13/11/368751311.db2.gz CSCHTMITJMQLFS-TZMCWYRMSA-N 2 1 270.380 2.246 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634678710 368808775 /nfs/dbraw/zinc/80/87/75/368808775.db2.gz BKIUHUZZEBZRNN-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634685157 368813883 /nfs/dbraw/zinc/81/38/83/368813883.db2.gz IDUIZRDDYZBTCT-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP c1cc(CCC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc2c1OCC2 ZINC000634733728 368845607 /nfs/dbraw/zinc/84/56/07/368845607.db2.gz MCVFAOFEUUESQG-AEFFLSMTSA-N 2 1 286.419 2.286 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3ncccc23)CC[C@@H]1[NH3+] ZINC000634687604 368815520 /nfs/dbraw/zinc/81/55/20/368815520.db2.gz RQGOOJZNTUDADJ-DOMZBBRYSA-N 2 1 255.365 2.404 20 0 CEADMP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000634733040 368844890 /nfs/dbraw/zinc/84/48/90/368844890.db2.gz VWVYCGYDLVQFKW-CYBMUJFWSA-N 2 1 277.412 2.348 20 0 CEADMP CC(F)(F)CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715784 368836130 /nfs/dbraw/zinc/83/61/30/368836130.db2.gz JVERWPIGXQRNCK-MRXNPFEDSA-N 2 1 298.377 2.258 20 0 CEADMP CC(F)(F)CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715784 368836135 /nfs/dbraw/zinc/83/61/35/368836135.db2.gz JVERWPIGXQRNCK-MRXNPFEDSA-N 2 1 298.377 2.258 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000346861804 368792152 /nfs/dbraw/zinc/79/21/52/368792152.db2.gz FZXRSHUBVQJUQX-QLFBSQMISA-N 2 1 297.487 2.342 20 0 CEADMP C[C@@H](C[N@@H+](C)CC1CC[NH2+]CC1)c1nccs1 ZINC000346994316 368794452 /nfs/dbraw/zinc/79/44/52/368794452.db2.gz VIFZZLYNVMKTJZ-NSHDSACASA-N 2 1 253.415 2.178 20 0 CEADMP OC[C@@H](C1CC1)[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000346967246 368794930 /nfs/dbraw/zinc/79/49/30/368794930.db2.gz JAHFLQOGRMVZEV-SFHVURJKSA-N 2 1 288.435 2.259 20 0 CEADMP OCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000347000849 368795026 /nfs/dbraw/zinc/79/50/26/368795026.db2.gz ZPVSAKNTCNSVIN-MAUKXSAKSA-N 2 1 288.435 2.358 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348091916 368893049 /nfs/dbraw/zinc/89/30/49/368893049.db2.gz ZATGLOSMCOZPDG-NWDGAFQWSA-N 2 1 291.317 2.281 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@](C)(CO)C1CCCCC1 ZINC000348212619 368951666 /nfs/dbraw/zinc/95/16/66/368951666.db2.gz SVZRMAMAEGNCIL-JKSUJKDBSA-N 2 1 268.445 2.392 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H](CO)c2ccccc2Cl)CC1 ZINC000348319702 369000355 /nfs/dbraw/zinc/00/03/55/369000355.db2.gz GOYRIGKCOHJHEC-LBPRGKRZSA-N 2 1 282.815 2.100 20 0 CEADMP Cn1ccnc1[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000635010155 369046915 /nfs/dbraw/zinc/04/69/15/369046915.db2.gz YXOAFJJVMWFKDM-IAGOWNOFSA-N 2 1 298.434 2.421 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccn(C)n1 ZINC000635010334 369046946 /nfs/dbraw/zinc/04/69/46/369046946.db2.gz JSYHCFQHHQWXPD-OLZOCXBDSA-N 2 1 264.417 2.239 20 0 CEADMP O=C1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CCN1 ZINC000634979469 369008979 /nfs/dbraw/zinc/00/89/79/369008979.db2.gz FCYJCFXCRVNKND-ZBFHGGJFSA-N 2 1 293.455 2.042 20 0 CEADMP CC[C@@H]1CN(CC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000634994702 369023397 /nfs/dbraw/zinc/02/33/97/369023397.db2.gz KVPSBJWGSGSAEC-JLAWEPINSA-N 2 1 299.462 2.335 20 0 CEADMP CC(C)[C@H](C[NH3+])C[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000634997576 369027802 /nfs/dbraw/zinc/02/78/02/369027802.db2.gz OCUYQQNUJJLSKY-CYBMUJFWSA-N 2 1 278.444 2.035 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C[C@H]1C[NH3+] ZINC000634998373 369029628 /nfs/dbraw/zinc/02/96/28/369029628.db2.gz DYSONKCQXWFMSI-IUODEOHRSA-N 2 1 274.408 2.427 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnc(C3CC3)s2)C[C@H]1C[NH3+] ZINC000634999538 369033181 /nfs/dbraw/zinc/03/31/81/369033181.db2.gz VYGAUIPMIDNQTM-GXSJLCMTSA-N 2 1 251.399 2.047 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc(C3CC3)s2)C[C@H]1C[NH3+] ZINC000634999538 369033184 /nfs/dbraw/zinc/03/31/84/369033184.db2.gz VYGAUIPMIDNQTM-GXSJLCMTSA-N 2 1 251.399 2.047 20 0 CEADMP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCNC(=O)CC1)CC(C)C ZINC000634951814 368986506 /nfs/dbraw/zinc/98/65/06/368986506.db2.gz GYNAAVXOVGLOOR-LSDHHAIUSA-N 2 1 283.460 2.001 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000634961322 368994265 /nfs/dbraw/zinc/99/42/65/368994265.db2.gz RIBDJUQWHXVDMO-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000634961322 368994273 /nfs/dbraw/zinc/99/42/73/368994273.db2.gz RIBDJUQWHXVDMO-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1c[nH+]ccc1N ZINC000635012836 369051670 /nfs/dbraw/zinc/05/16/70/369051670.db2.gz AFZZAMWGSUCXQH-SECBINFHSA-N 2 1 299.300 2.060 20 0 CEADMP Cc1[nH+]ccn1CCCN1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000348754574 369142290 /nfs/dbraw/zinc/14/22/90/369142290.db2.gz AVZQEGJIDQFTGZ-IRXDYDNUSA-N 2 1 284.407 2.008 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)CC1 ZINC000349194187 369263418 /nfs/dbraw/zinc/26/34/18/369263418.db2.gz RLKREUTWFPTUGX-RCCFBDPRSA-N 2 1 286.419 2.025 20 0 CEADMP C[C@@H](NC/C=C/C[NH2+][C@@H](C)c1ccon1)c1ccon1 ZINC000349198627 369264315 /nfs/dbraw/zinc/26/43/15/369264315.db2.gz LJKLPQSOHDWEOE-ROUHBEFFSA-N 2 1 276.340 2.220 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(O)CCCC2)[C@H](C)C1 ZINC000164202724 541760724 /nfs/dbraw/zinc/76/07/24/541760724.db2.gz PFQAQCXZMLFJTH-CVEARBPZSA-N 2 1 298.471 2.018 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1nccnc1C ZINC000187957240 369261158 /nfs/dbraw/zinc/26/11/58/369261158.db2.gz WQSFQFKYBIRFIY-WCQYABFASA-N 2 1 273.384 2.277 20 0 CEADMP C[C@H](N[C@H]1C[N@H+](C)C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000349428286 369327790 /nfs/dbraw/zinc/32/77/90/369327790.db2.gz YFCVTULIKPYDRC-YQFWSFKMSA-N 2 1 275.440 2.218 20 0 CEADMP C[C@H](N[C@H]1C[N@@H+](C)C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000349428286 369327794 /nfs/dbraw/zinc/32/77/94/369327794.db2.gz YFCVTULIKPYDRC-YQFWSFKMSA-N 2 1 275.440 2.218 20 0 CEADMP C[C@@H](O)[C@@](C)(C[NH2+]C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000188900728 369426133 /nfs/dbraw/zinc/42/61/33/369426133.db2.gz ATRYWYDGRCFFLY-CRAIPNDOSA-N 2 1 290.451 2.300 20 0 CEADMP c1nc(C2CC2)ncc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358250665 370973532 /nfs/dbraw/zinc/97/35/32/370973532.db2.gz LBHRFLHVBBMDRK-CVEARBPZSA-N 2 1 286.423 2.113 20 0 CEADMP CCCN(CCC[NH+](C)C)c1[nH+]cnc2[nH]ccc21 ZINC000276196126 193240092 /nfs/dbraw/zinc/24/00/92/193240092.db2.gz IOTOQYFRMLCCTM-UHFFFAOYSA-N 2 1 261.373 2.126 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000358264652 370981296 /nfs/dbraw/zinc/98/12/96/370981296.db2.gz YQKVASLWSDDPJH-ZACQAIPSSA-N 2 1 292.398 2.118 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000358264652 370981301 /nfs/dbraw/zinc/98/13/01/370981301.db2.gz YQKVASLWSDDPJH-ZACQAIPSSA-N 2 1 292.398 2.118 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000358278312 370989048 /nfs/dbraw/zinc/98/90/48/370989048.db2.gz MEARJKYEXDOYBK-BCLQGDPASA-N 2 1 294.826 2.242 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000358278312 370989054 /nfs/dbraw/zinc/98/90/54/370989054.db2.gz MEARJKYEXDOYBK-BCLQGDPASA-N 2 1 294.826 2.242 20 0 CEADMP CCS[C@H]1CCCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351494723 369637016 /nfs/dbraw/zinc/63/70/16/369637016.db2.gz YSULANDONQEOEK-CABCVRRESA-N 2 1 286.485 2.049 20 0 CEADMP CCS[C@H]1CCCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351494723 369637017 /nfs/dbraw/zinc/63/70/17/369637017.db2.gz YSULANDONQEOEK-CABCVRRESA-N 2 1 286.485 2.049 20 0 CEADMP CCS[C@H]1CCCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351494723 369637023 /nfs/dbraw/zinc/63/70/23/369637023.db2.gz YSULANDONQEOEK-CABCVRRESA-N 2 1 286.485 2.049 20 0 CEADMP CCS[C@H]1CCCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351494723 369637025 /nfs/dbraw/zinc/63/70/25/369637025.db2.gz YSULANDONQEOEK-CABCVRRESA-N 2 1 286.485 2.049 20 0 CEADMP COCC[N@H+](CCCn1cc[nH+]c1C)Cc1cccnc1 ZINC000276442695 193332921 /nfs/dbraw/zinc/33/29/21/193332921.db2.gz LPJJCHKZRZSQMP-UHFFFAOYSA-N 2 1 288.395 2.125 20 0 CEADMP COCC[N@@H+](CCCn1cc[nH+]c1C)Cc1cccnc1 ZINC000276442695 193332923 /nfs/dbraw/zinc/33/29/23/193332923.db2.gz LPJJCHKZRZSQMP-UHFFFAOYSA-N 2 1 288.395 2.125 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1nncn1C)C(C)C ZINC000352463853 369741887 /nfs/dbraw/zinc/74/18/87/369741887.db2.gz LIQWHEHDZVGECD-AWEZNQCLSA-N 2 1 290.415 2.087 20 0 CEADMP Cc1ccc(CCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000352525790 369773437 /nfs/dbraw/zinc/77/34/37/369773437.db2.gz IJMFPWMRIWNZOA-KRWDZBQOSA-N 2 1 273.424 2.398 20 0 CEADMP Cc1cccc(C[C@H](CO)[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000191612797 369726271 /nfs/dbraw/zinc/72/62/71/369726271.db2.gz ORXFJUJKDHFCLA-ONIAQPFYSA-N 2 1 290.451 2.217 20 0 CEADMP c1[nH]nc(-c2cccnc2)c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352540589 369779004 /nfs/dbraw/zinc/77/90/04/369779004.db2.gz NAZOGPNUUZHCOL-QGZVFWFLSA-N 2 1 297.406 2.047 20 0 CEADMP c1[nH]nc(-c2cccnc2)c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352540589 369779009 /nfs/dbraw/zinc/77/90/09/369779009.db2.gz NAZOGPNUUZHCOL-QGZVFWFLSA-N 2 1 297.406 2.047 20 0 CEADMP COC[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918891 369871918 /nfs/dbraw/zinc/87/19/18/369871918.db2.gz IGJANPYEOWQLNG-WBVHZDCISA-N 2 1 276.424 2.381 20 0 CEADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC2(C)COC2)C1 ZINC000352780664 369877129 /nfs/dbraw/zinc/87/71/29/369877129.db2.gz PRBLYLIBEXMHEL-ZDUSSCGKSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CC2(C)COC2)C1 ZINC000352780664 369877132 /nfs/dbraw/zinc/87/71/32/369877132.db2.gz PRBLYLIBEXMHEL-ZDUSSCGKSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC[C@H]1CCC[N@H+]1C ZINC000352789603 369878429 /nfs/dbraw/zinc/87/84/29/369878429.db2.gz CIHLRRMXCZQXDV-BZUAXINKSA-N 2 1 265.445 2.029 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000352912165 369946256 /nfs/dbraw/zinc/94/62/56/369946256.db2.gz RQTANVZIDVAUDP-WBVHZDCISA-N 2 1 298.471 2.138 20 0 CEADMP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000353071436 370007829 /nfs/dbraw/zinc/00/78/29/370007829.db2.gz JPVUDKLSCSXLET-KRWDZBQOSA-N 2 1 288.435 2.259 20 0 CEADMP C=Cn1cc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000194317761 370025943 /nfs/dbraw/zinc/02/59/43/370025943.db2.gz CVMPTGSCWHOEHV-AWEZNQCLSA-N 2 1 264.417 2.440 20 0 CEADMP CCC[C@@H](C)[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000353011429 369979966 /nfs/dbraw/zinc/97/99/66/369979966.db2.gz ZAKYYLYDAANOCQ-OAHLLOKOSA-N 2 1 286.460 2.234 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353511358 370115352 /nfs/dbraw/zinc/11/53/52/370115352.db2.gz AZMZAJWMDZTOEF-MWDXBVQZSA-N 2 1 282.472 2.494 20 0 CEADMP CC(C)c1[nH+]ccn1CC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000637841635 370108924 /nfs/dbraw/zinc/10/89/24/370108924.db2.gz VHXOMGYVXVDTBZ-UHFFFAOYSA-N 2 1 298.390 2.291 20 0 CEADMP C[N@@H+]1C[C@H]2CN(Cc3sccc3Cl)C[C@H]2C1 ZINC000194540732 370048381 /nfs/dbraw/zinc/04/83/81/370048381.db2.gz JIMHAJCHCATNCS-AOOOYVTPSA-N 2 1 256.802 2.395 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)n1 ZINC000353568196 370117265 /nfs/dbraw/zinc/11/72/65/370117265.db2.gz PBYYQXMPSLWELX-KGLIPLIRSA-N 2 1 279.428 2.340 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)n1 ZINC000353568196 370117276 /nfs/dbraw/zinc/11/72/76/370117276.db2.gz PBYYQXMPSLWELX-KGLIPLIRSA-N 2 1 279.428 2.340 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000195557245 370140872 /nfs/dbraw/zinc/14/08/72/370140872.db2.gz VDCSGLCDMSBNDG-XOYOTBSWSA-N 2 1 288.435 2.258 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@]2(OC)CCOC2)CC1 ZINC000637905910 370160883 /nfs/dbraw/zinc/16/08/83/370160883.db2.gz OGSWQHOWTRMRFA-KRWDZBQOSA-N 2 1 298.471 2.236 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C)cn2)C1 ZINC000354082332 370209947 /nfs/dbraw/zinc/20/99/47/370209947.db2.gz KUBQKFUJXLWHPF-KRWDZBQOSA-N 2 1 291.439 2.323 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)C1 ZINC000354213137 370262184 /nfs/dbraw/zinc/26/21/84/370262184.db2.gz VLHWFMISPWBGRK-ZJIFWQFVSA-N 2 1 296.455 2.286 20 0 CEADMP Cc1cc(C[NH3+])oc1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000638055515 370271898 /nfs/dbraw/zinc/27/18/98/370271898.db2.gz IFJJAOYCOFDKFX-CYBMUJFWSA-N 2 1 293.411 2.041 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000354264562 370286749 /nfs/dbraw/zinc/28/67/49/370286749.db2.gz FYQZDPRRTURLEA-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000354264562 370286752 /nfs/dbraw/zinc/28/67/52/370286752.db2.gz FYQZDPRRTURLEA-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000354264562 370286756 /nfs/dbraw/zinc/28/67/56/370286756.db2.gz FYQZDPRRTURLEA-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP FC(F)(F)Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000638186119 370364246 /nfs/dbraw/zinc/36/42/46/370364246.db2.gz LNSIGLQLZJKQIL-OKILXGFUSA-N 2 1 284.325 2.443 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@@H](O)c3ccccc3)CC[C@H]21 ZINC000227342737 370367961 /nfs/dbraw/zinc/36/79/61/370367961.db2.gz HGCIMHSMEKGDOC-GVDBMIGSSA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@@H](O)c3ccccc3)CC[C@H]21 ZINC000227342737 370367964 /nfs/dbraw/zinc/36/79/64/370367964.db2.gz HGCIMHSMEKGDOC-GVDBMIGSSA-N 2 1 274.408 2.136 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@@H](O)c3ccccc3)CC[C@H]21 ZINC000227342737 370367970 /nfs/dbraw/zinc/36/79/70/370367970.db2.gz HGCIMHSMEKGDOC-GVDBMIGSSA-N 2 1 274.408 2.136 20 0 CEADMP CN(C)c1cc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc[nH+]1 ZINC000354502673 370389362 /nfs/dbraw/zinc/38/93/62/370389362.db2.gz YCMLEPCHEJHJLP-AWEZNQCLSA-N 2 1 290.411 2.351 20 0 CEADMP CN(C)c1cc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc[nH+]1 ZINC000354502673 370389367 /nfs/dbraw/zinc/38/93/67/370389367.db2.gz YCMLEPCHEJHJLP-AWEZNQCLSA-N 2 1 290.411 2.351 20 0 CEADMP CC[NH2+][C@H](C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000638130713 370325268 /nfs/dbraw/zinc/32/52/68/370325268.db2.gz HUGDNFZECPCQED-LSDHHAIUSA-N 2 1 291.439 2.011 20 0 CEADMP CC[C@@](C)(C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)OC ZINC000638132751 370326169 /nfs/dbraw/zinc/32/61/69/370326169.db2.gz HQYBUCZOPYFSNE-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@](C)(C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)OC ZINC000638132751 370326172 /nfs/dbraw/zinc/32/61/72/370326172.db2.gz HQYBUCZOPYFSNE-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@@](C)(C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)OC ZINC000638132751 370326175 /nfs/dbraw/zinc/32/61/75/370326175.db2.gz HQYBUCZOPYFSNE-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3nccnc3c2)C1 ZINC000638133869 370327444 /nfs/dbraw/zinc/32/74/44/370327444.db2.gz LITHQHFWQPIMSD-OAHLLOKOSA-N 2 1 284.407 2.403 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3nccnc3c2)C1 ZINC000638133869 370327449 /nfs/dbraw/zinc/32/74/49/370327449.db2.gz LITHQHFWQPIMSD-OAHLLOKOSA-N 2 1 284.407 2.403 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3nccnc3c2)C1 ZINC000638133869 370327455 /nfs/dbraw/zinc/32/74/55/370327455.db2.gz LITHQHFWQPIMSD-OAHLLOKOSA-N 2 1 284.407 2.403 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC000638133869 370327461 /nfs/dbraw/zinc/32/74/61/370327461.db2.gz LITHQHFWQPIMSD-OAHLLOKOSA-N 2 1 284.407 2.403 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000226581781 370347567 /nfs/dbraw/zinc/34/75/67/370347567.db2.gz BOHWCEWGLWHESP-WCVJEAGWSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000226581781 370347571 /nfs/dbraw/zinc/34/75/71/370347571.db2.gz BOHWCEWGLWHESP-WCVJEAGWSA-N 2 1 266.429 2.406 20 0 CEADMP CO[C@]1(C[NH2+]CCC[N@@H+](C)C2CCCCC2)CCOC1 ZINC000638303064 370433991 /nfs/dbraw/zinc/43/39/91/370433991.db2.gz ZSJGQFHXYVTVBE-INIZCTEOSA-N 2 1 284.444 2.036 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)Nc2ccc(C[NH2+]C)cc2)CC[N@H+]1C ZINC000638254467 370402243 /nfs/dbraw/zinc/40/22/43/370402243.db2.gz GFUZYJKGPGEDEM-LSDHHAIUSA-N 2 1 275.396 2.075 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(CO)cc1 ZINC000638335581 370453062 /nfs/dbraw/zinc/45/30/62/370453062.db2.gz PCJPLDHZTKNCAZ-CYBMUJFWSA-N 2 1 273.380 2.110 20 0 CEADMP C(CC1CCOCC1)[NH2+]CC[NH+]1CCCCCC1 ZINC000638336015 370453411 /nfs/dbraw/zinc/45/34/11/370453411.db2.gz PGJDIQVZXXHJSU-UHFFFAOYSA-N 2 1 254.418 2.269 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3)C[C@@H]21 ZINC000230046534 370437209 /nfs/dbraw/zinc/43/72/09/370437209.db2.gz IMUMXVNOXLDLHL-CWRNSKLLSA-N 2 1 287.407 2.074 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccccc3F)C[C@@H]21 ZINC000230048038 370437264 /nfs/dbraw/zinc/43/72/64/370437264.db2.gz RVRBFAWIVNULIZ-KCQAQPDRSA-N 2 1 278.371 2.264 20 0 CEADMP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000351867349 284230029 /nfs/dbraw/zinc/23/00/29/284230029.db2.gz XPUFDMBVOJLRPP-SOUVJXGZSA-N 2 1 289.423 2.097 20 0 CEADMP CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000351867349 284230033 /nfs/dbraw/zinc/23/00/33/284230033.db2.gz XPUFDMBVOJLRPP-SOUVJXGZSA-N 2 1 289.423 2.097 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1CCCC ZINC000236807301 370631845 /nfs/dbraw/zinc/63/18/45/370631845.db2.gz ROAAWVMYYBKZLH-GJZGRUSLSA-N 2 1 283.460 2.275 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](c1nccn1C)C1CC1 ZINC000639176210 371050585 /nfs/dbraw/zinc/05/05/85/371050585.db2.gz ZGSMJCFZFGTYQF-HNNXBMFYSA-N 2 1 287.411 2.398 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](c1nccn1C)C1CC1 ZINC000639176210 371050588 /nfs/dbraw/zinc/05/05/88/371050588.db2.gz ZGSMJCFZFGTYQF-HNNXBMFYSA-N 2 1 287.411 2.398 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000639176231 371051253 /nfs/dbraw/zinc/05/12/53/371051253.db2.gz DFWSZSREMUITNM-HZPDHXFCSA-N 2 1 266.429 2.075 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCNc2ccccn2)[C@@H](C)C1 ZINC000246934773 371033537 /nfs/dbraw/zinc/03/35/37/371033537.db2.gz GQTAVTXHAQIYIG-GJZGRUSLSA-N 2 1 276.428 2.204 20 0 CEADMP CO[C@H](Cc1ccccc1)C[N@H+](C)CCC[NH+](C)C ZINC000639167621 371040684 /nfs/dbraw/zinc/04/06/84/371040684.db2.gz IQBQYOYVZCHYKQ-MRXNPFEDSA-N 2 1 264.413 2.128 20 0 CEADMP CO[C@H](Cc1ccccc1)C[N@@H+](C)CCC[NH+](C)C ZINC000639167621 371040692 /nfs/dbraw/zinc/04/06/92/371040692.db2.gz IQBQYOYVZCHYKQ-MRXNPFEDSA-N 2 1 264.413 2.128 20 0 CEADMP COCC1(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)CCC1 ZINC000639177810 371054535 /nfs/dbraw/zinc/05/45/35/371054535.db2.gz GYIZUAQHYUSCKC-HUUCEWRRSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000247070061 371059616 /nfs/dbraw/zinc/05/96/16/371059616.db2.gz QDGJKVDAJQNGIC-FVQHAEBGSA-N 2 1 281.488 2.428 20 0 CEADMP CC(C)C[NH+]1CCC(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000247091423 371063302 /nfs/dbraw/zinc/06/33/02/371063302.db2.gz PLMOQQYNAHRGDI-YQQAZPJKSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCOC1 ZINC000247087454 371063327 /nfs/dbraw/zinc/06/33/27/371063327.db2.gz NUMRBOZGXPDKPB-IMJJTQAJSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCOC1 ZINC000247087454 371063332 /nfs/dbraw/zinc/06/33/32/371063332.db2.gz NUMRBOZGXPDKPB-IMJJTQAJSA-N 2 1 266.429 2.266 20 0 CEADMP CCC(C)(C)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000358452968 371072542 /nfs/dbraw/zinc/07/25/42/371072542.db2.gz VWYKGKYZSHGEEX-UHFFFAOYSA-N 2 1 283.460 2.096 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@]12CCCO2 ZINC000639244805 371141370 /nfs/dbraw/zinc/14/13/70/371141370.db2.gz PWAJGJNJADSNQB-BRWVUGGUSA-N 2 1 296.455 2.177 20 0 CEADMP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](CO)C(C)C ZINC000639246940 371143753 /nfs/dbraw/zinc/14/37/53/371143753.db2.gz PUNMACWGVAJSRC-LVQVYYBASA-N 2 1 270.461 2.348 20 0 CEADMP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](CO)C(C)C ZINC000639246940 371143758 /nfs/dbraw/zinc/14/37/58/371143758.db2.gz PUNMACWGVAJSRC-LVQVYYBASA-N 2 1 270.461 2.348 20 0 CEADMP CN(CCC[N@@H+](C)Cc1ccc(F)cc1F)CC[NH+](C)C ZINC000344021337 217012036 /nfs/dbraw/zinc/01/20/36/217012036.db2.gz GMENHJZEBPLTQW-UHFFFAOYSA-N 2 1 299.409 2.280 20 0 CEADMP COc1cc(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccn1 ZINC000639257376 371155836 /nfs/dbraw/zinc/15/58/36/371155836.db2.gz MZISDMLQHOMRTG-HUUCEWRRSA-N 2 1 291.439 2.343 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CCO)c2ccccc2)[C@H](C)C1 ZINC000248138604 371163339 /nfs/dbraw/zinc/16/33/39/371163339.db2.gz PJNBKQHETNVZQZ-NJAFHUGGSA-N 2 1 290.451 2.473 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000248186226 371168495 /nfs/dbraw/zinc/16/84/95/371168495.db2.gz XKGMFBGSAOABOM-WMLDXEAASA-N 2 1 288.435 2.484 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)COC)[C@H](C)C1 ZINC000248179786 371168732 /nfs/dbraw/zinc/16/87/32/371168732.db2.gz WFHPWBKNXNEIRZ-PMPSAXMXSA-N 2 1 286.460 2.138 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2C)[C@H](C)C1 ZINC000248816059 371248595 /nfs/dbraw/zinc/24/85/95/371248595.db2.gz ALPDIYHXNQPSEX-WCXIOVBPSA-N 2 1 298.471 2.138 20 0 CEADMP CC(C)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000249294001 371310958 /nfs/dbraw/zinc/31/09/58/371310958.db2.gz BTUQBVPILYDVHT-NXOAAHMSSA-N 2 1 281.488 2.425 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000639497700 371362901 /nfs/dbraw/zinc/36/29/01/371362901.db2.gz NNHUCDSXFOBAIX-JYJNAYRXSA-N 2 1 266.429 2.219 20 0 CEADMP COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359100263 371337446 /nfs/dbraw/zinc/33/74/46/371337446.db2.gz ANJGCPWXQLKYOO-GDBMZVCRSA-N 2 1 262.397 2.276 20 0 CEADMP COCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359100263 371337451 /nfs/dbraw/zinc/33/74/51/371337451.db2.gz ANJGCPWXQLKYOO-GDBMZVCRSA-N 2 1 262.397 2.276 20 0 CEADMP COc1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250578952 371386621 /nfs/dbraw/zinc/38/66/21/371386621.db2.gz MDSMAOHNPZBFBV-CABCVRRESA-N 2 1 290.407 2.290 20 0 CEADMP O=c1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc[nH]1 ZINC000639543395 371394543 /nfs/dbraw/zinc/39/45/43/371394543.db2.gz FRBIAPUVTJIPQR-HOCLYGCPSA-N 2 1 287.407 2.236 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000639543928 371395630 /nfs/dbraw/zinc/39/56/30/371395630.db2.gz RAKFIVYJRXCNAY-AWEZNQCLSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000639543928 371395635 /nfs/dbraw/zinc/39/56/35/371395635.db2.gz RAKFIVYJRXCNAY-AWEZNQCLSA-N 2 1 265.401 2.329 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000251108435 371397515 /nfs/dbraw/zinc/39/75/15/371397515.db2.gz ONRCEQOJVZUKGM-QBPKDAKJSA-N 3 1 279.472 2.229 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251389840 371400693 /nfs/dbraw/zinc/40/06/93/371400693.db2.gz JOLHLNPUWZBUID-HRCADAONSA-N 2 1 297.487 2.377 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251389840 371400696 /nfs/dbraw/zinc/40/06/96/371400696.db2.gz JOLHLNPUWZBUID-HRCADAONSA-N 2 1 297.487 2.377 20 0 CEADMP C[C@@H](CC(=O)NCC[N@@H+](C)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000251500892 371404246 /nfs/dbraw/zinc/40/42/46/371404246.db2.gz HMNYDDHBHPGNON-GJZGRUSLSA-N 2 1 295.471 2.003 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000250269054 371380940 /nfs/dbraw/zinc/38/09/40/371380940.db2.gz ZAPBOEVAQQLIPS-HRCADAONSA-N 2 1 278.371 2.076 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000359315651 371425284 /nfs/dbraw/zinc/42/52/84/371425284.db2.gz FNVRFITUWYSIRW-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCC[NH+](C)CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000359315651 371425288 /nfs/dbraw/zinc/42/52/88/371425288.db2.gz FNVRFITUWYSIRW-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCC[NH+](C)CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000359315651 371425291 /nfs/dbraw/zinc/42/52/91/371425291.db2.gz FNVRFITUWYSIRW-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP C([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000252546381 371455304 /nfs/dbraw/zinc/45/53/04/371455304.db2.gz KMNGTBAPLIGJDM-GJZGRUSLSA-N 2 1 252.402 2.020 20 0 CEADMP C([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000252546381 371455309 /nfs/dbraw/zinc/45/53/09/371455309.db2.gz KMNGTBAPLIGJDM-GJZGRUSLSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1cc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1F ZINC000252667926 371465471 /nfs/dbraw/zinc/46/54/71/371465471.db2.gz PYWYFFUCWOETOD-GJZGRUSLSA-N 2 1 278.371 2.087 20 0 CEADMP Cc1cc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)ccc1F ZINC000252667926 371465472 /nfs/dbraw/zinc/46/54/72/371465472.db2.gz PYWYFFUCWOETOD-GJZGRUSLSA-N 2 1 278.371 2.087 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN(C)c1ccccc1 ZINC000359633290 371474890 /nfs/dbraw/zinc/47/48/90/371474890.db2.gz KLZZXOHISBVXLY-GOEBONIOSA-N 2 1 261.413 2.053 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OC)c1 ZINC000360708074 371529798 /nfs/dbraw/zinc/52/97/98/371529798.db2.gz QILIPYNREGLQAC-UKRRQHHQSA-N 2 1 292.423 2.319 20 0 CEADMP Cc1cnc([C@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC000639757145 371547198 /nfs/dbraw/zinc/54/71/98/371547198.db2.gz GZVSXPSABUVOGZ-ZDUSSCGKSA-N 2 1 263.385 2.462 20 0 CEADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763632 371551219 /nfs/dbraw/zinc/55/12/19/371551219.db2.gz XICNRLASDCPOMQ-RDJZCZTQSA-N 2 1 276.424 2.445 20 0 CEADMP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764604 371552814 /nfs/dbraw/zinc/55/28/14/371552814.db2.gz VWXGMUGPLFPOCO-GOEBONIOSA-N 2 1 262.397 2.136 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764604 371552818 /nfs/dbraw/zinc/55/28/18/371552818.db2.gz VWXGMUGPLFPOCO-GOEBONIOSA-N 2 1 262.397 2.136 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639765276 371553100 /nfs/dbraw/zinc/55/31/00/371553100.db2.gz XVHHVLNIEUNZBJ-RDJZCZTQSA-N 2 1 276.424 2.179 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639765274 371553272 /nfs/dbraw/zinc/55/32/72/371553272.db2.gz XVHHVLNIEUNZBJ-NVXWUHKLSA-N 2 1 276.424 2.179 20 0 CEADMP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C(F)F)n1 ZINC000360957321 371562328 /nfs/dbraw/zinc/56/23/28/371562328.db2.gz YYKRSYBYHVWGSL-VXGBXAGGSA-N 2 1 286.370 2.320 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000360964679 371566890 /nfs/dbraw/zinc/56/68/90/371566890.db2.gz WSEAKDSNDKJKJI-IJEWVQPXSA-N 2 1 266.429 2.266 20 0 CEADMP CCC[NH+](CCC)CCCN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000361026341 371607494 /nfs/dbraw/zinc/60/74/94/371607494.db2.gz AQZDVUBZAKAVGW-HZPDHXFCSA-N 2 1 269.477 2.428 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000361026341 371607498 /nfs/dbraw/zinc/60/74/98/371607498.db2.gz AQZDVUBZAKAVGW-HZPDHXFCSA-N 3 1 269.477 2.428 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000361026341 371607503 /nfs/dbraw/zinc/60/75/03/371607503.db2.gz AQZDVUBZAKAVGW-HZPDHXFCSA-N 3 1 269.477 2.428 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261588134 371665277 /nfs/dbraw/zinc/66/52/77/371665277.db2.gz JYCVCSRJCMPGOQ-UKRRQHHQSA-N 3 1 264.417 2.092 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000261600438 371670640 /nfs/dbraw/zinc/67/06/40/371670640.db2.gz WOPBAXYKNZBONF-CJNGLKHVSA-N 2 1 287.407 2.001 20 0 CEADMP c1ccc(SCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261584896 371662819 /nfs/dbraw/zinc/66/28/19/371662819.db2.gz SPWHCKKEOHLTOF-KBPBESRZSA-N 2 1 262.422 2.320 20 0 CEADMP CC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCCO2)CC1 ZINC000639982008 371711229 /nfs/dbraw/zinc/71/12/29/371711229.db2.gz XXIBCQSDZWOSFD-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261736821 371714222 /nfs/dbraw/zinc/71/42/22/371714222.db2.gz LQKXXVMRNYZPPB-MRXNPFEDSA-N 2 1 293.842 2.128 20 0 CEADMP CCOCc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OC ZINC000261739347 371715364 /nfs/dbraw/zinc/71/53/64/371715364.db2.gz PAZMEWNQSACBCI-KRWDZBQOSA-N 2 1 292.423 2.402 20 0 CEADMP CCOCc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OC ZINC000261739347 371715370 /nfs/dbraw/zinc/71/53/70/371715370.db2.gz PAZMEWNQSACBCI-KRWDZBQOSA-N 2 1 292.423 2.402 20 0 CEADMP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000261751488 371720425 /nfs/dbraw/zinc/72/04/25/371720425.db2.gz CFEZTCNMAMLCCA-INIZCTEOSA-N 2 1 276.428 2.097 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000261751488 371720430 /nfs/dbraw/zinc/72/04/30/371720430.db2.gz CFEZTCNMAMLCCA-INIZCTEOSA-N 2 1 276.428 2.097 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261756429 371722595 /nfs/dbraw/zinc/72/25/95/371722595.db2.gz NIYLBMMCQHQLRD-ARFHVFGLSA-N 3 1 276.428 2.092 20 0 CEADMP CCOc1ccc(OCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261662970 371696090 /nfs/dbraw/zinc/69/60/90/371696090.db2.gz KSRMZKABCCTTFH-KRWDZBQOSA-N 2 1 290.407 2.150 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261662970 371696096 /nfs/dbraw/zinc/69/60/96/371696096.db2.gz KSRMZKABCCTTFH-KRWDZBQOSA-N 2 1 290.407 2.150 20 0 CEADMP COCC[N@H+]1CC[C@@H](Nc2cc3c(cn2)CCCC3)C1 ZINC000361174698 371698888 /nfs/dbraw/zinc/69/88/88/371698888.db2.gz ABXYIKQKBPLJLB-OAHLLOKOSA-N 2 1 275.396 2.093 20 0 CEADMP CC(C)[C@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000361184082 371702365 /nfs/dbraw/zinc/70/23/65/371702365.db2.gz KGSADFVRQBNKBK-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](CNC(=[NH2+])N1CCC(C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000261870579 371756540 /nfs/dbraw/zinc/75/65/40/371756540.db2.gz ORRLBDITAPSRRF-LSDHHAIUSA-N 2 1 280.460 2.363 20 0 CEADMP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000261989286 371792634 /nfs/dbraw/zinc/79/26/34/371792634.db2.gz KCFAMJGUCKVQMO-KRWDZBQOSA-N 2 1 288.439 2.112 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000261989286 371792638 /nfs/dbraw/zinc/79/26/38/371792638.db2.gz KCFAMJGUCKVQMO-KRWDZBQOSA-N 2 1 288.439 2.112 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000261923877 371773062 /nfs/dbraw/zinc/77/30/62/371773062.db2.gz YZSIUDVFWMOPDR-CQSZACIVSA-N 2 1 276.409 2.105 20 0 CEADMP CC(C)[N@H+](C)Cc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261929038 371775565 /nfs/dbraw/zinc/77/55/65/371775565.db2.gz CNCOHRBPBTWKOY-UHFFFAOYSA-N 2 1 260.341 2.036 20 0 CEADMP CC(C)[N@@H+](C)Cc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261929038 371775572 /nfs/dbraw/zinc/77/55/72/371775572.db2.gz CNCOHRBPBTWKOY-UHFFFAOYSA-N 2 1 260.341 2.036 20 0 CEADMP [NH3+]C1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000262151687 371831430 /nfs/dbraw/zinc/83/14/30/371831430.db2.gz RHRNCGWVWCHREG-QGZVFWFLSA-N 2 1 290.407 2.168 20 0 CEADMP c1nc(C2CC2)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000262006876 371796627 /nfs/dbraw/zinc/79/66/27/371796627.db2.gz LYNHUVHTFFJIAT-AWEZNQCLSA-N 2 1 263.410 2.206 20 0 CEADMP c1nc(C2CC2)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC000262006876 371796633 /nfs/dbraw/zinc/79/66/33/371796633.db2.gz LYNHUVHTFFJIAT-AWEZNQCLSA-N 2 1 263.410 2.206 20 0 CEADMP C[C@@]1(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)CC[NH2+]C1 ZINC000262004058 371797451 /nfs/dbraw/zinc/79/74/51/371797451.db2.gz LPUYURXCLXWMOL-HZPDHXFCSA-N 2 1 266.429 2.410 20 0 CEADMP COc1ccccc1/C=C/C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262016584 371800323 /nfs/dbraw/zinc/80/03/23/371800323.db2.gz MUWFXTWZWHXAJH-YXMMZVCTSA-N 2 1 272.392 2.394 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262016584 371800332 /nfs/dbraw/zinc/80/03/32/371800332.db2.gz MUWFXTWZWHXAJH-YXMMZVCTSA-N 2 1 272.392 2.394 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000262087921 371821230 /nfs/dbraw/zinc/82/12/30/371821230.db2.gz GLQLLQAHVUOHJU-CABCVRRESA-N 2 1 262.397 2.351 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]21 ZINC000262090477 371821709 /nfs/dbraw/zinc/82/17/09/371821709.db2.gz HXVXIGQOYQVGQN-KBAYOESNSA-N 2 1 296.418 2.432 20 0 CEADMP FC(F)Oc1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000262112410 371825713 /nfs/dbraw/zinc/82/57/13/371825713.db2.gz WOHNCQCKBARSPH-HNNXBMFYSA-N 2 1 282.334 2.473 20 0 CEADMP FC(F)Oc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000262112410 371825721 /nfs/dbraw/zinc/82/57/21/371825721.db2.gz WOHNCQCKBARSPH-HNNXBMFYSA-N 2 1 282.334 2.473 20 0 CEADMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(C)(C)C ZINC000361519768 371893583 /nfs/dbraw/zinc/89/35/83/371893583.db2.gz QJRFXYKCLKLKRB-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](CNC(=O)CCC1CC[NH2+]CC1)[N@H+]1CCCC[C@H]1C ZINC000262737804 371904345 /nfs/dbraw/zinc/90/43/45/371904345.db2.gz CJAMYFUZWKMKAG-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])[N@H+]1CCCC[C@H]1C ZINC000263102496 371929460 /nfs/dbraw/zinc/92/94/60/371929460.db2.gz ZOGARUHPIPLGKK-PNBKFKSVSA-N 2 1 295.471 2.273 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CCCCCC[NH3+] ZINC000263234614 371932904 /nfs/dbraw/zinc/93/29/04/371932904.db2.gz DBHVAVPGIBTBMI-GJZGRUSLSA-N 2 1 283.460 2.132 20 0 CEADMP CCC1(CC)[C@H]([NH2+]CCn2cc[nH+]c2C)C[C@H]1OC ZINC000344156537 217076727 /nfs/dbraw/zinc/07/67/27/217076727.db2.gz AFMYHTANUJNVLC-ZIAGYGMSSA-N 2 1 265.401 2.375 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccno1 ZINC000640532233 372021574 /nfs/dbraw/zinc/02/15/74/372021574.db2.gz RMWAEDBZHYBGCU-UHFFFAOYSA-N 2 1 251.374 2.373 20 0 CEADMP Cc1cn2c(n1)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000361660638 372011520 /nfs/dbraw/zinc/01/15/20/372011520.db2.gz BZUZVYIEYRLPBL-KKUMJFAQSA-N 2 1 276.428 2.141 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cccnc2)[C@H](C)C1 ZINC000361866885 372105720 /nfs/dbraw/zinc/10/57/20/372105720.db2.gz CRNCFHVIIUKCFK-GDBMZVCRSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cccnc2)[C@H](C)C1 ZINC000361866885 372105724 /nfs/dbraw/zinc/10/57/24/372105724.db2.gz CRNCFHVIIUKCFK-GDBMZVCRSA-N 2 1 261.413 2.286 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cccnc2)[C@H](C)C1 ZINC000361866885 372105733 /nfs/dbraw/zinc/10/57/33/372105733.db2.gz CRNCFHVIIUKCFK-GDBMZVCRSA-N 2 1 261.413 2.286 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000361791763 372072849 /nfs/dbraw/zinc/07/28/49/372072849.db2.gz FDCMJEULUMJUBA-PVAVHDDUSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000361791763 372072854 /nfs/dbraw/zinc/07/28/54/372072854.db2.gz FDCMJEULUMJUBA-PVAVHDDUSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000361791763 372072860 /nfs/dbraw/zinc/07/28/60/372072860.db2.gz FDCMJEULUMJUBA-PVAVHDDUSA-N 2 1 279.472 2.181 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000362016614 372173794 /nfs/dbraw/zinc/17/37/94/372173794.db2.gz ASYYMOMTGLBXSB-GJZGRUSLSA-N 2 1 273.384 2.162 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000362099075 372220119 /nfs/dbraw/zinc/22/01/19/372220119.db2.gz OVYUVVGXPGHEFU-RBSFLKMASA-N 2 1 277.412 2.327 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000362099075 372220126 /nfs/dbraw/zinc/22/01/26/372220126.db2.gz OVYUVVGXPGHEFU-RBSFLKMASA-N 2 1 277.412 2.327 20 0 CEADMP CC[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268792738 372224757 /nfs/dbraw/zinc/22/47/57/372224757.db2.gz GVZCDWOZWYZUPX-WMZOPIPTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268792738 372224766 /nfs/dbraw/zinc/22/47/66/372224766.db2.gz GVZCDWOZWYZUPX-WMZOPIPTSA-N 2 1 289.467 2.438 20 0 CEADMP CC[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268792738 372224770 /nfs/dbraw/zinc/22/47/70/372224770.db2.gz GVZCDWOZWYZUPX-WMZOPIPTSA-N 2 1 289.467 2.438 20 0 CEADMP Cc1cccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000268803270 372230161 /nfs/dbraw/zinc/23/01/61/372230161.db2.gz BQTNEIUBPPISIX-HNNXBMFYSA-N 2 1 276.424 2.492 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000268705086 372187130 /nfs/dbraw/zinc/18/71/30/372187130.db2.gz BRGINGZOWBQTLJ-LBPRGKRZSA-N 2 1 287.407 2.316 20 0 CEADMP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000268828849 372245180 /nfs/dbraw/zinc/24/51/80/372245180.db2.gz ZXXXNTYEGJMWBD-VXGBXAGGSA-N 2 1 274.368 2.089 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000268842269 372250131 /nfs/dbraw/zinc/25/01/31/372250131.db2.gz UIENHIIBMBMYCP-AWEZNQCLSA-N 2 1 292.423 2.336 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000268849971 372255157 /nfs/dbraw/zinc/25/51/57/372255157.db2.gz JXJZFXSBVWLAEM-LLVKDONJSA-N 2 1 262.332 2.467 20 0 CEADMP Cc1ccccc1[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268869765 372264065 /nfs/dbraw/zinc/26/40/65/372264065.db2.gz UWYWRQWJQDOWND-OAHLLOKOSA-N 2 1 276.424 2.492 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(NCCC[NH+]2CCCCC2)n1 ZINC000362216563 372272169 /nfs/dbraw/zinc/27/21/69/372272169.db2.gz FQWXQKVVJXSFFY-UHFFFAOYSA-N 2 1 299.422 2.286 20 0 CEADMP COCC[N@H+](CCn1cc[nH+]c1C)C[C@@H]1CC=CCC1 ZINC000362246075 372283555 /nfs/dbraw/zinc/28/35/55/372283555.db2.gz XDKQDXPGTWAMRC-MRXNPFEDSA-N 2 1 277.412 2.496 20 0 CEADMP COCC[N@@H+](CCn1cc[nH+]c1C)C[C@@H]1CC=CCC1 ZINC000362246075 372283561 /nfs/dbraw/zinc/28/35/61/372283561.db2.gz XDKQDXPGTWAMRC-MRXNPFEDSA-N 2 1 277.412 2.496 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH2+]CC)cc1 ZINC000269153001 372359862 /nfs/dbraw/zinc/35/98/62/372359862.db2.gz QQVZFHMKLOEZOQ-UHFFFAOYSA-N 2 1 291.439 2.258 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000269030431 372317250 /nfs/dbraw/zinc/31/72/50/372317250.db2.gz RQZMYRDINCRDLQ-VPZZIHKRSA-N 2 1 282.453 2.415 20 0 CEADMP CCN(C)C(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000362727584 372505126 /nfs/dbraw/zinc/50/51/26/372505126.db2.gz BMRAVOXLLMBDFI-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP CN(C)c1cc(NC(=O)c2ccccc2C[NH+](C)C)cc[nH+]1 ZINC000362871887 372556817 /nfs/dbraw/zinc/55/68/17/372556817.db2.gz AZBOBVMMJULYEG-UHFFFAOYSA-N 2 1 298.390 2.462 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCC2 ZINC000269955426 372613643 /nfs/dbraw/zinc/61/36/43/372613643.db2.gz KGPHZETUSBPMND-FUHWJXTLSA-N 2 1 288.435 2.419 20 0 CEADMP C([C@@H]1CCOC1)[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000363459623 372638151 /nfs/dbraw/zinc/63/81/51/372638151.db2.gz PDTZETYOXNSUFW-CVEARBPZSA-N 2 1 266.429 2.221 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC000641709839 372645667 /nfs/dbraw/zinc/64/56/67/372645667.db2.gz IYRVIUMLGIPWGT-HUUCEWRRSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000641717399 372654196 /nfs/dbraw/zinc/65/41/96/372654196.db2.gz JJILUJRNLLMOPC-BZUAXINKSA-N 2 1 295.471 2.132 20 0 CEADMP CC[C@](C)(O)C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364142313 372678252 /nfs/dbraw/zinc/67/82/52/372678252.db2.gz KMCBHYUSYQIYEW-ULQDDVLXSA-N 2 1 291.439 2.167 20 0 CEADMP CN(C)C(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000364208358 372693020 /nfs/dbraw/zinc/69/30/20/372693020.db2.gz RLFOKCFKSAGJPM-OCCSQVGLSA-N 2 1 294.830 2.419 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cccc(C)c1 ZINC000641773682 372717948 /nfs/dbraw/zinc/71/79/48/372717948.db2.gz ZGICJHHNRADPSQ-MRXNPFEDSA-N 2 1 264.413 2.177 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(C)o1 ZINC000353400143 220063364 /nfs/dbraw/zinc/06/33/64/220063364.db2.gz DNIRGSGJGPYBHJ-BMFZPTHFSA-N 2 1 277.412 2.296 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000641798631 372740571 /nfs/dbraw/zinc/74/05/71/372740571.db2.gz OUXNKEVSBTUWBL-WDEREUQCSA-N 2 1 261.394 2.465 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000641798631 372740575 /nfs/dbraw/zinc/74/05/75/372740575.db2.gz OUXNKEVSBTUWBL-WDEREUQCSA-N 2 1 261.394 2.465 20 0 CEADMP C([C@@H]1CCC2(CCCC2)O1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000641799756 372741756 /nfs/dbraw/zinc/74/17/56/372741756.db2.gz QTMAGCMBFJEZLK-AWEZNQCLSA-N 2 1 264.413 2.306 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN(Cc2cc(OC)cc(C)[nH+]2)C1 ZINC000270323022 372741946 /nfs/dbraw/zinc/74/19/46/372741946.db2.gz RKCYNKXKCDZAKD-OAHLLOKOSA-N 2 1 277.412 2.315 20 0 CEADMP CCCc1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)o1 ZINC000641800014 372742003 /nfs/dbraw/zinc/74/20/03/372742003.db2.gz VTRCLEDFOCELAO-OLZOCXBDSA-N 2 1 265.401 2.495 20 0 CEADMP CCCc1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)o1 ZINC000641800014 372742009 /nfs/dbraw/zinc/74/20/09/372742009.db2.gz VTRCLEDFOCELAO-OLZOCXBDSA-N 2 1 265.401 2.495 20 0 CEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cn1 ZINC000641802806 372746670 /nfs/dbraw/zinc/74/66/70/372746670.db2.gz PFCKSDNDIAVZCF-QWRGUYRKSA-N 2 1 273.302 2.316 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641803215 372748067 /nfs/dbraw/zinc/74/80/67/372748067.db2.gz BOPUXTBUJQFFTJ-NILFDRSVSA-N 2 1 289.423 2.291 20 0 CEADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2F)C[C@@H]1[NH3+] ZINC000641803921 372749891 /nfs/dbraw/zinc/74/98/91/372749891.db2.gz FYWWUCRURFTETG-NWDGAFQWSA-N 2 1 299.777 2.133 20 0 CEADMP Cc1cc(Cl)ccc1NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641805572 372751973 /nfs/dbraw/zinc/75/19/73/372751973.db2.gz NWSFYEBQGKCKRJ-CHWSQXEVSA-N 2 1 295.814 2.302 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1cccc(Cl)c1 ZINC000641807954 372754542 /nfs/dbraw/zinc/75/45/42/372754542.db2.gz WDCSBGWZXWRWHS-XDTLVQLUSA-N 2 1 295.814 2.382 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1c(F)cccc1F ZINC000641808950 372756661 /nfs/dbraw/zinc/75/66/61/372756661.db2.gz VCWGSSPUTNQWAL-KPXOXKRLSA-N 2 1 297.349 2.007 20 0 CEADMP CC(C)c1cccc(NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641810013 372758430 /nfs/dbraw/zinc/75/84/30/372758430.db2.gz ZLZCYPFSIPJJLS-LSDHHAIUSA-N 2 1 289.423 2.464 20 0 CEADMP COc1ccc([C@@H](CO)[N@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000270438653 372791787 /nfs/dbraw/zinc/79/17/87/372791787.db2.gz KOKQQXRCUFGKLX-DOTOQJQBSA-N 2 1 292.423 2.145 20 0 CEADMP COc1ccc([C@@H](CO)[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000270438653 372791791 /nfs/dbraw/zinc/79/17/91/372791791.db2.gz KOKQQXRCUFGKLX-DOTOQJQBSA-N 2 1 292.423 2.145 20 0 CEADMP COc1ccc([C@@H](CO)[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000270438653 372791800 /nfs/dbraw/zinc/79/18/00/372791800.db2.gz KOKQQXRCUFGKLX-DOTOQJQBSA-N 2 1 292.423 2.145 20 0 CEADMP COc1ccc([C@@H](CO)[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000270438653 372791806 /nfs/dbraw/zinc/79/18/06/372791806.db2.gz KOKQQXRCUFGKLX-DOTOQJQBSA-N 2 1 292.423 2.145 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000270394395 372770046 /nfs/dbraw/zinc/77/00/46/372770046.db2.gz SYYIDNMVJZBPGE-OAHLLOKOSA-N 2 1 275.396 2.089 20 0 CEADMP C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)[C@H]1CCCC[NH2+]1 ZINC000333284623 205182878 /nfs/dbraw/zinc/18/28/78/205182878.db2.gz NBHSAEAUZSXDJE-VXGBXAGGSA-N 2 1 253.390 2.202 20 0 CEADMP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)C[C@H]1CCOC1 ZINC000643056768 372936669 /nfs/dbraw/zinc/93/66/69/372936669.db2.gz BEQYOACDDHCMPQ-GDBMZVCRSA-N 2 1 292.423 2.096 20 0 CEADMP C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCSC2)[C@@H]1c1cccnc1 ZINC000365948416 372963332 /nfs/dbraw/zinc/96/33/32/372963332.db2.gz WUJYISYFCQNYEA-BPUTZDHNSA-N 2 1 291.464 2.417 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCSC2)[C@@H]1c1cccnc1 ZINC000365948416 372963343 /nfs/dbraw/zinc/96/33/43/372963343.db2.gz WUJYISYFCQNYEA-BPUTZDHNSA-N 2 1 291.464 2.417 20 0 CEADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353521118 220135762 /nfs/dbraw/zinc/13/57/62/220135762.db2.gz OZOMAERFSAKTBW-YYIAUSFCSA-N 2 1 279.472 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353521118 220135765 /nfs/dbraw/zinc/13/57/65/220135765.db2.gz OZOMAERFSAKTBW-YYIAUSFCSA-N 2 1 279.472 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353521118 220135767 /nfs/dbraw/zinc/13/57/67/220135767.db2.gz OZOMAERFSAKTBW-YYIAUSFCSA-N 2 1 279.472 2.181 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353521118 220135770 /nfs/dbraw/zinc/13/57/70/220135770.db2.gz OZOMAERFSAKTBW-YYIAUSFCSA-N 3 1 279.472 2.181 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353521118 220135772 /nfs/dbraw/zinc/13/57/72/220135772.db2.gz OZOMAERFSAKTBW-YYIAUSFCSA-N 3 1 279.472 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353521118 220135775 /nfs/dbraw/zinc/13/57/75/220135775.db2.gz OZOMAERFSAKTBW-YYIAUSFCSA-N 3 1 279.472 2.181 20 0 CEADMP CCC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353521118 220135777 /nfs/dbraw/zinc/13/57/77/220135777.db2.gz OZOMAERFSAKTBW-YYIAUSFCSA-N 3 1 279.472 2.181 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353528164 220139544 /nfs/dbraw/zinc/13/95/44/220139544.db2.gz NRUCLKQVQXCZNL-AALSBFMBSA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)c1nc([C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)no1 ZINC000333496429 205375918 /nfs/dbraw/zinc/37/59/18/205375918.db2.gz DWZSBTLHQPIWAR-ZIAGYGMSSA-N 2 1 292.427 2.372 20 0 CEADMP CCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000366619972 373093973 /nfs/dbraw/zinc/09/39/73/373093973.db2.gz JPZXSPKZTPGHFE-AWEZNQCLSA-N 2 1 266.433 2.307 20 0 CEADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)[C@@H]2CCCO[C@@H]21 ZINC000366732999 373115456 /nfs/dbraw/zinc/11/54/56/373115456.db2.gz YYCHCNWBKKULCP-UGQVUOCMSA-N 2 1 289.423 2.239 20 0 CEADMP CO[C@H]1CCC[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000643498121 373157786 /nfs/dbraw/zinc/15/77/86/373157786.db2.gz DRVOSQRPBPKKHV-HOTGVXAUSA-N 2 1 277.412 2.109 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C12CCC2 ZINC000643501838 373159976 /nfs/dbraw/zinc/15/99/76/373159976.db2.gz QYEKCQDNMRJLQA-MGPQQGTHSA-N 2 1 252.402 2.066 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000368235085 373228631 /nfs/dbraw/zinc/22/86/31/373228631.db2.gz NRZKVZUQDDZXFC-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000368611465 373250363 /nfs/dbraw/zinc/25/03/63/373250363.db2.gz DFHGFLVDBNNRLM-YUELXQCFSA-N 2 1 263.385 2.254 20 0 CEADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000368611464 373250547 /nfs/dbraw/zinc/25/05/47/373250547.db2.gz DFHGFLVDBNNRLM-NWANDNLSSA-N 2 1 263.385 2.254 20 0 CEADMP CC(C)NC(=O)C[N@H+]1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000369032316 373316871 /nfs/dbraw/zinc/31/68/71/373316871.db2.gz HOUYMBKYZJYXSX-CQSZACIVSA-N 2 1 292.427 2.168 20 0 CEADMP CC(C)NC(=O)CN1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000369032316 373316876 /nfs/dbraw/zinc/31/68/76/373316876.db2.gz HOUYMBKYZJYXSX-CQSZACIVSA-N 2 1 292.427 2.168 20 0 CEADMP Cc1cccc(NCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000353614756 220192825 /nfs/dbraw/zinc/19/28/25/220192825.db2.gz UIOKPHUXJFJBMV-BZUAXINKSA-N 2 1 288.439 2.264 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000272321737 373428288 /nfs/dbraw/zinc/42/82/88/373428288.db2.gz KOMSGYSBNXBXBD-QGZVFWFLSA-N 2 1 276.424 2.343 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000272321737 373428297 /nfs/dbraw/zinc/42/82/97/373428297.db2.gz KOMSGYSBNXBXBD-QGZVFWFLSA-N 2 1 276.424 2.343 20 0 CEADMP CN(C)c1cccnc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353621006 220196435 /nfs/dbraw/zinc/19/64/35/220196435.db2.gz KHNGUWWBBKDFRH-LZWOXQAQSA-N 2 1 288.439 2.110 20 0 CEADMP CN(C)c1cccnc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353621006 220196440 /nfs/dbraw/zinc/19/64/40/220196440.db2.gz KHNGUWWBBKDFRH-LZWOXQAQSA-N 2 1 288.439 2.110 20 0 CEADMP CC[C@@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccccc1 ZINC000644569530 373535808 /nfs/dbraw/zinc/53/58/08/373535808.db2.gz VSXQFDDRQIAJOM-HNNXBMFYSA-N 2 1 289.423 2.479 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353630911 220207381 /nfs/dbraw/zinc/20/73/81/220207381.db2.gz JHVLHDAUYSVHNC-WCVJEAGWSA-N 2 1 282.472 2.492 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(C)CCC1 ZINC000644585613 373544632 /nfs/dbraw/zinc/54/46/32/373544632.db2.gz PCVPJGLCQGMJDB-MRXNPFEDSA-N 2 1 276.424 2.259 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(C)CCC1 ZINC000644585613 373544637 /nfs/dbraw/zinc/54/46/37/373544637.db2.gz PCVPJGLCQGMJDB-MRXNPFEDSA-N 2 1 276.424 2.259 20 0 CEADMP c1cc(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)c[nH]1 ZINC000370047445 373565106 /nfs/dbraw/zinc/56/51/06/373565106.db2.gz XZNCKKLSRHSUIW-UHFFFAOYSA-N 2 1 284.407 2.206 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC1(C)CC1 ZINC000644635418 373574051 /nfs/dbraw/zinc/57/40/51/373574051.db2.gz ILOBSAPDWWUYPR-INIZCTEOSA-N 2 1 276.424 2.259 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC1(C)CC1 ZINC000644635418 373574055 /nfs/dbraw/zinc/57/40/55/373574055.db2.gz ILOBSAPDWWUYPR-INIZCTEOSA-N 2 1 276.424 2.259 20 0 CEADMP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000247168608 220218932 /nfs/dbraw/zinc/21/89/32/220218932.db2.gz YHILVGQFIFVZHV-HLPPOEQASA-N 2 1 278.444 2.146 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000247168608 220218936 /nfs/dbraw/zinc/21/89/36/220218936.db2.gz YHILVGQFIFVZHV-HLPPOEQASA-N 3 1 278.444 2.146 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000247168608 220218939 /nfs/dbraw/zinc/21/89/39/220218939.db2.gz YHILVGQFIFVZHV-HLPPOEQASA-N 3 1 278.444 2.146 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CCC[NH+](C2CC2)CC1 ZINC000370488550 373666706 /nfs/dbraw/zinc/66/67/06/373666706.db2.gz PNOPPJRASJUFFL-HNNXBMFYSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCCC[C@H]1CCN1CCC[N@@H+](C2CC2)CC1 ZINC000370488550 373666709 /nfs/dbraw/zinc/66/67/09/373666709.db2.gz PNOPPJRASJUFFL-HNNXBMFYSA-N 2 1 265.445 2.031 20 0 CEADMP C[NH+]1CCCC[C@H]1CCN1CCC[N@H+](C2CC2)CC1 ZINC000370488550 373666714 /nfs/dbraw/zinc/66/67/14/373666714.db2.gz PNOPPJRASJUFFL-HNNXBMFYSA-N 2 1 265.445 2.031 20 0 CEADMP C[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272947980 373728557 /nfs/dbraw/zinc/72/85/57/373728557.db2.gz UWOSPGWLHYORFE-LZWOXQAQSA-N 2 1 262.397 2.010 20 0 CEADMP C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272947980 373728563 /nfs/dbraw/zinc/72/85/63/373728563.db2.gz UWOSPGWLHYORFE-LZWOXQAQSA-N 2 1 262.397 2.010 20 0 CEADMP Cc1ccncc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371295220 373835267 /nfs/dbraw/zinc/83/52/67/373835267.db2.gz PSSMAWRLMJXOLX-YESZJQIVSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ccncc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371295220 373835272 /nfs/dbraw/zinc/83/52/72/373835272.db2.gz PSSMAWRLMJXOLX-YESZJQIVSA-N 2 1 289.423 2.074 20 0 CEADMP C[C@@H]1C[N@@H+](CC2=CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000645842904 374218991 /nfs/dbraw/zinc/21/89/91/374218991.db2.gz ZBODZDZQJHBISW-NVXWUHKLSA-N 2 1 277.456 2.055 20 0 CEADMP C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ncc[nH]1 ZINC000373347035 374332032 /nfs/dbraw/zinc/33/20/32/374332032.db2.gz VSOGWLAXOHSUAA-LBPRGKRZSA-N 2 1 267.336 2.446 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(Br)o1 ZINC000276987302 374371608 /nfs/dbraw/zinc/37/16/08/374371608.db2.gz VHGJXDCLTPBQLD-UHFFFAOYSA-N 2 1 284.157 2.337 20 0 CEADMP C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H](C)O2 ZINC000374028638 374471561 /nfs/dbraw/zinc/47/15/61/374471561.db2.gz RLFQPVINGGNMGO-YYIAUSFCSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@]2(CCO1)C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H](C)O2 ZINC000374028638 374471568 /nfs/dbraw/zinc/47/15/68/374471568.db2.gz RLFQPVINGGNMGO-YYIAUSFCSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@]2(CCO1)C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H](C)O2 ZINC000374028638 374471572 /nfs/dbraw/zinc/47/15/72/374471572.db2.gz RLFQPVINGGNMGO-YYIAUSFCSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@]2(CCO1)C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H](C)O2 ZINC000374028638 374471578 /nfs/dbraw/zinc/47/15/78/374471578.db2.gz RLFQPVINGGNMGO-YYIAUSFCSA-N 2 1 296.455 2.129 20 0 CEADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2)c1 ZINC000334179977 206153585 /nfs/dbraw/zinc/15/35/85/206153585.db2.gz AAFZVHUKZCADTR-GOSISDBHSA-N 2 1 296.418 2.448 20 0 CEADMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1c[nH]cn1)CC2)C1CC1 ZINC000374281326 374529325 /nfs/dbraw/zinc/52/93/25/374529325.db2.gz ASRSWFAYJCVMEM-CYBMUJFWSA-N 2 1 274.412 2.106 20 0 CEADMP C[N@H+](C[C@H]1CC12CC[NH+](Cc1cnc[nH]1)CC2)C1CC1 ZINC000374281326 374529334 /nfs/dbraw/zinc/52/93/34/374529334.db2.gz ASRSWFAYJCVMEM-CYBMUJFWSA-N 2 1 274.412 2.106 20 0 CEADMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1cnc[nH]1)CC2)C1CC1 ZINC000374281326 374529341 /nfs/dbraw/zinc/52/93/41/374529341.db2.gz ASRSWFAYJCVMEM-CYBMUJFWSA-N 2 1 274.412 2.106 20 0 CEADMP CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000374460455 374576980 /nfs/dbraw/zinc/57/69/80/374576980.db2.gz HJLQKTMTVFVERB-UONOGXRCSA-N 2 1 292.427 2.297 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000377390446 374845431 /nfs/dbraw/zinc/84/54/31/374845431.db2.gz JOCYGAVQZHYLCI-INIZCTEOSA-N 2 1 290.407 2.389 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000377390446 374845436 /nfs/dbraw/zinc/84/54/36/374845436.db2.gz JOCYGAVQZHYLCI-INIZCTEOSA-N 2 1 290.407 2.389 20 0 CEADMP CN(C)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000377410405 374851649 /nfs/dbraw/zinc/85/16/49/374851649.db2.gz JICDPTCAIGWEGQ-BCDXTJNWSA-N 2 1 287.451 2.333 20 0 CEADMP CN(C)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000377410405 374851654 /nfs/dbraw/zinc/85/16/54/374851654.db2.gz JICDPTCAIGWEGQ-BCDXTJNWSA-N 2 1 287.451 2.333 20 0 CEADMP C=Cn1cc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000377699446 374927295 /nfs/dbraw/zinc/92/72/95/374927295.db2.gz MKQRFAGUQHTWDU-UHFFFAOYSA-N 2 1 297.406 2.479 20 0 CEADMP Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000377702217 374927389 /nfs/dbraw/zinc/92/73/89/374927389.db2.gz PWQKMEBICRKHBM-KBPBESRZSA-N 2 1 270.380 2.500 20 0 CEADMP COCCOCC[N@H+]1CCC[C@@H]1Cn1ccnc1C(C)C ZINC000378019066 375002236 /nfs/dbraw/zinc/00/22/36/375002236.db2.gz OFFVZLDPBJIHOG-OAHLLOKOSA-N 2 1 295.427 2.134 20 0 CEADMP Cc1n[nH]cc1C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000378351819 375079078 /nfs/dbraw/zinc/07/90/78/375079078.db2.gz UFCWWDKTIJJWLV-AWEZNQCLSA-N 2 1 285.395 2.356 20 0 CEADMP Cc1n[nH]cc1C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000378351819 375079086 /nfs/dbraw/zinc/07/90/86/375079086.db2.gz UFCWWDKTIJJWLV-AWEZNQCLSA-N 2 1 285.395 2.356 20 0 CEADMP CCOC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000378356998 375082249 /nfs/dbraw/zinc/08/22/49/375082249.db2.gz UYHODPQPPUEMEO-KGLIPLIRSA-N 2 1 294.439 2.134 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C12CCC2 ZINC000378456512 375105306 /nfs/dbraw/zinc/10/53/06/375105306.db2.gz OOKYRMIQDMWSFU-CABCVRRESA-N 2 1 264.413 2.186 20 0 CEADMP CC(C)[NH2+]CC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379667976 375155953 /nfs/dbraw/zinc/15/59/53/375155953.db2.gz CMERWAIPPNDUOZ-OAHLLOKOSA-N 2 1 291.439 2.011 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CC)(CC)CC1 ZINC000381403087 375175257 /nfs/dbraw/zinc/17/52/57/375175257.db2.gz WVNOAGUWOUMCQK-AWEZNQCLSA-N 2 1 256.434 2.201 20 0 CEADMP C[C@H](CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000382892393 375195069 /nfs/dbraw/zinc/19/50/69/375195069.db2.gz PXEWDOSMDQIASK-MJBXVCDLSA-N 2 1 299.459 2.220 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000280803690 375327674 /nfs/dbraw/zinc/32/76/74/375327674.db2.gz HOKAPRTVPWMCMZ-UHFFFAOYSA-N 2 1 299.353 2.306 20 0 CEADMP C[C@H](NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400337987 375372123 /nfs/dbraw/zinc/37/21/23/375372123.db2.gz FVNCZKZKRONPJN-RDJZCZTQSA-N 2 1 275.440 2.239 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)OCC1CC1 ZINC000414278007 375817746 /nfs/dbraw/zinc/81/77/46/375817746.db2.gz XRJRPJRSIYRRQB-TZMCWYRMSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000286148525 375857373 /nfs/dbraw/zinc/85/73/73/375857373.db2.gz PIMOKKZZJIOSAL-ZDUSSCGKSA-N 2 1 296.378 2.123 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414763410 375954261 /nfs/dbraw/zinc/95/42/61/375954261.db2.gz XLCAYXABWIFCJG-GOEBONIOSA-N 2 1 284.444 2.271 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788520 375971184 /nfs/dbraw/zinc/97/11/84/375971184.db2.gz WWCDOJQEPDDEOC-ZIAGYGMSSA-N 2 1 290.407 2.222 20 0 CEADMP COc1cc(Br)ccc1C[NH2+]C1CC[NH2+]CC1 ZINC000414790144 375973533 /nfs/dbraw/zinc/97/35/33/375973533.db2.gz OZOIVSJSIGJWMV-UHFFFAOYSA-N 2 1 299.212 2.299 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)C1CC1 ZINC000414793698 375974695 /nfs/dbraw/zinc/97/46/95/375974695.db2.gz DUDWULZLQMRCST-LBPRGKRZSA-N 2 1 256.296 2.115 20 0 CEADMP FC(F)(F)Oc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000414793200 375974844 /nfs/dbraw/zinc/97/48/44/375974844.db2.gz UAWVKVUOCWISLH-UHFFFAOYSA-N 2 1 274.286 2.427 20 0 CEADMP C[C@@H]1C[C@H](CN2CC[NH+](CCC(C)(C)C)CC2)CC[NH2+]1 ZINC000414692482 375923338 /nfs/dbraw/zinc/92/33/38/375923338.db2.gz QHUJHRZBXIZANL-HZPDHXFCSA-N 2 1 281.488 2.428 20 0 CEADMP Cc1cnc(CC[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414704715 375931570 /nfs/dbraw/zinc/93/15/70/375931570.db2.gz KTXPRPBTBVYMFX-YPMHNXCESA-N 2 1 267.442 2.314 20 0 CEADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414707931 375933700 /nfs/dbraw/zinc/93/37/00/375933700.db2.gz PIFXOJZCVQVZHZ-CVEARBPZSA-N 2 1 295.471 2.084 20 0 CEADMP CC[N@@H+](CCc1nccs1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414714045 375937335 /nfs/dbraw/zinc/93/73/35/375937335.db2.gz WWGJKFIGVNYQDJ-QWHCGFSZSA-N 2 1 267.442 2.396 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+]2CCNC[C@H]2c2cccc(F)c2)CC[NH2+]1 ZINC000414729413 375941065 /nfs/dbraw/zinc/94/10/65/375941065.db2.gz DQFOTAZDCMRFOI-CPUCHLNUSA-N 2 1 291.414 2.160 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCNC[C@H]2c2cccc(F)c2)CC[NH2+]1 ZINC000414729413 375941073 /nfs/dbraw/zinc/94/10/73/375941073.db2.gz DQFOTAZDCMRFOI-CPUCHLNUSA-N 2 1 291.414 2.160 20 0 CEADMP COc1cccc2c1CC[N@H+](C[C@@H]([NH3+])CC(C)C)CC2 ZINC000414739174 375944848 /nfs/dbraw/zinc/94/48/48/375944848.db2.gz KAGWFNGILOTSHC-HNNXBMFYSA-N 2 1 276.424 2.469 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)CC2 ZINC000414739174 375944854 /nfs/dbraw/zinc/94/48/54/375944854.db2.gz KAGWFNGILOTSHC-HNNXBMFYSA-N 2 1 276.424 2.469 20 0 CEADMP CC(C)c1ncc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000414737492 375945194 /nfs/dbraw/zinc/94/51/94/375945194.db2.gz HGBQIJYMTLOJAY-ZIAGYGMSSA-N 2 1 276.428 2.420 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000414745644 375947747 /nfs/dbraw/zinc/94/77/47/375947747.db2.gz RAQSPPSKKRWQNY-HUUCEWRRSA-N 2 1 254.418 2.251 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)C1CC1 ZINC000414806248 375991715 /nfs/dbraw/zinc/99/17/15/375991715.db2.gz MSORFAFVDIPYJP-KBPBESRZSA-N 2 1 250.773 2.134 20 0 CEADMP C[C@@H]([NH2+]Cc1cc(O)cc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000414820525 376006718 /nfs/dbraw/zinc/00/67/18/376006718.db2.gz JWSLXKSPSMVWOQ-PWSUYJOCSA-N 2 1 252.333 2.009 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1O ZINC000414801325 375986814 /nfs/dbraw/zinc/98/68/14/375986814.db2.gz GUSWCBRBSHDDNH-RISCZKNCSA-N 2 1 278.396 2.049 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000287606696 376273314 /nfs/dbraw/zinc/27/33/14/376273314.db2.gz IWUQAUBYMBLKLK-ZDUSSCGKSA-N 2 1 296.378 2.123 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000419219420 376400252 /nfs/dbraw/zinc/40/02/52/376400252.db2.gz SQCXKSDDHGUISY-QLFBSQMISA-N 2 1 256.434 2.462 20 0 CEADMP CO[C@H](CC(C)C)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000419219420 376400255 /nfs/dbraw/zinc/40/02/55/376400255.db2.gz SQCXKSDDHGUISY-QLFBSQMISA-N 2 1 256.434 2.462 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000419219420 376400259 /nfs/dbraw/zinc/40/02/59/376400259.db2.gz SQCXKSDDHGUISY-QLFBSQMISA-N 2 1 256.434 2.462 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000419219420 376400260 /nfs/dbraw/zinc/40/02/60/376400260.db2.gz SQCXKSDDHGUISY-QLFBSQMISA-N 2 1 256.434 2.462 20 0 CEADMP c1ccc(COCCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000309727372 376602443 /nfs/dbraw/zinc/60/24/43/376602443.db2.gz QFTMQRRRCQLTDP-IAGOWNOFSA-N 2 1 274.408 2.277 20 0 CEADMP COC1(C[N@@H+](C)CCCN(C)CC[NH+](C)C)CCCCC1 ZINC000558423771 376607178 /nfs/dbraw/zinc/60/71/78/376607178.db2.gz RKRNLZDULIEBPP-UHFFFAOYSA-N 2 1 299.503 2.151 20 0 CEADMP C[C@H](O)CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309998633 376613309 /nfs/dbraw/zinc/61/33/09/376613309.db2.gz CWLGQNJPTBMXOX-CGTJXYLNSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H](O)CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309998633 376613316 /nfs/dbraw/zinc/61/33/16/376613316.db2.gz CWLGQNJPTBMXOX-CGTJXYLNSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@H](O)CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309998633 376613324 /nfs/dbraw/zinc/61/33/24/376613324.db2.gz CWLGQNJPTBMXOX-CGTJXYLNSA-N 2 1 288.435 2.211 20 0 CEADMP C(CC1CCOCC1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000310751474 376635350 /nfs/dbraw/zinc/63/53/50/376635350.db2.gz VNDPMGHKNMDDFM-CABCVRRESA-N 2 1 252.402 2.020 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1C1CCCC1)C1CC1 ZINC000311469256 376670850 /nfs/dbraw/zinc/67/08/50/376670850.db2.gz XWQORIJQNXLUBG-HZPDHXFCSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1C1CCCC1)C1CC1 ZINC000311469256 376670854 /nfs/dbraw/zinc/67/08/54/376670854.db2.gz XWQORIJQNXLUBG-HZPDHXFCSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCCC1)C1CC1 ZINC000311469256 376670856 /nfs/dbraw/zinc/67/08/56/376670856.db2.gz XWQORIJQNXLUBG-HZPDHXFCSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCCC1)C1CC1 ZINC000311469256 376670860 /nfs/dbraw/zinc/67/08/60/376670860.db2.gz XWQORIJQNXLUBG-HZPDHXFCSA-N 2 1 266.429 2.096 20 0 CEADMP Cn1c(NC[C@H]2CC[C@H](C[NH3+])CC2)[nH+]c2cccc(F)c21 ZINC000420261968 376672567 /nfs/dbraw/zinc/67/25/67/376672567.db2.gz QNTVONVCCHBQSR-HAQNSBGRSA-N 2 1 290.386 2.311 20 0 CEADMP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000312039113 376700952 /nfs/dbraw/zinc/70/09/52/376700952.db2.gz QFGWGSBASNHUOZ-ZNMIVQPWSA-N 2 1 264.413 2.162 20 0 CEADMP Cc1cc(C)c(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1C ZINC000313395658 376744009 /nfs/dbraw/zinc/74/40/09/376744009.db2.gz PSMRGYJYCGOKPH-MRXNPFEDSA-N 2 1 262.397 2.161 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@@H+](CC=C(C)C)CC2)CC1 ZINC000420979224 376753618 /nfs/dbraw/zinc/75/36/18/376753618.db2.gz KBYLFSDTPFWKNE-UHFFFAOYSA-N 2 1 279.472 2.445 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC(C)(C)O1 ZINC000211957678 542093975 /nfs/dbraw/zinc/09/39/75/542093975.db2.gz HXZROLWBRZPZBI-ZDUSSCGKSA-N 2 1 274.408 2.332 20 0 CEADMP CCOC(=O)c1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)o1 ZINC000290450337 376782994 /nfs/dbraw/zinc/78/29/94/376782994.db2.gz MIJYOYNYJCGVAB-TZMCWYRMSA-N 2 1 294.395 2.228 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)[C@@H]2CCCOC2)cc1 ZINC000685438601 542137173 /nfs/dbraw/zinc/13/71/73/542137173.db2.gz HKBFNNJAOIUBKF-MRXNPFEDSA-N 2 1 292.423 2.238 20 0 CEADMP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000685470275 542146809 /nfs/dbraw/zinc/14/68/09/542146809.db2.gz CZDBPUCSIKVPFT-CZUORRHYSA-N 2 1 261.413 2.416 20 0 CEADMP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000685470275 542146814 /nfs/dbraw/zinc/14/68/14/542146814.db2.gz CZDBPUCSIKVPFT-CZUORRHYSA-N 2 1 261.413 2.416 20 0 CEADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000685470275 542146820 /nfs/dbraw/zinc/14/68/20/542146820.db2.gz CZDBPUCSIKVPFT-CZUORRHYSA-N 2 1 261.413 2.416 20 0 CEADMP CCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000685470275 542146826 /nfs/dbraw/zinc/14/68/26/542146826.db2.gz CZDBPUCSIKVPFT-CZUORRHYSA-N 2 1 261.413 2.416 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422891282 376854375 /nfs/dbraw/zinc/85/43/75/376854375.db2.gz VBDIUERGQUIODL-FZKCQIBNSA-N 2 1 267.461 2.499 20 0 CEADMP Cc1nc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)sc1C ZINC000422893474 376856141 /nfs/dbraw/zinc/85/61/41/376856141.db2.gz QSHFSXQHPDGPGY-JTQLQIEISA-N 2 1 276.409 2.461 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)n1 ZINC000422942953 376870782 /nfs/dbraw/zinc/87/07/82/376870782.db2.gz XGGJGOFDGRYPNM-QWHCGFSZSA-N 2 1 280.416 2.246 20 0 CEADMP CCOCCC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCC1 ZINC000422948050 376871258 /nfs/dbraw/zinc/87/12/58/376871258.db2.gz ZHYCKGOSNVJJGI-KBPBESRZSA-N 2 1 254.418 2.171 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000422949059 376871559 /nfs/dbraw/zinc/87/15/59/376871559.db2.gz SONNCOLIVOJYPW-QWHCGFSZSA-N 2 1 254.761 2.188 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422979139 376903704 /nfs/dbraw/zinc/90/37/04/376903704.db2.gz LKSZXYDEQWJAAK-KBPBESRZSA-N 2 1 256.434 2.438 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000422960915 376886627 /nfs/dbraw/zinc/88/66/27/376886627.db2.gz ABKXHUAQWSWFGM-RBSFLKMASA-N 2 1 277.412 2.276 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000422986849 376907548 /nfs/dbraw/zinc/90/75/48/376907548.db2.gz DLZOKROJDAQXRP-DZGCQCFKSA-N 2 1 290.407 2.326 20 0 CEADMP CCOc1cccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422998051 376914746 /nfs/dbraw/zinc/91/47/46/376914746.db2.gz PJLPECDXZGZTRH-CZUORRHYSA-N 2 1 262.397 2.358 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422998755 376917222 /nfs/dbraw/zinc/91/72/22/376917222.db2.gz DFAQUAAHGPOKAP-CTHBEMJXSA-N 2 1 260.381 2.281 20 0 CEADMP C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423085491 376980174 /nfs/dbraw/zinc/98/01/74/376980174.db2.gz KAAWNYRBRFQLBP-KBPBESRZSA-N 2 1 266.429 2.049 20 0 CEADMP COc1cccc(C2(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)CC2)c1 ZINC000423128663 377026879 /nfs/dbraw/zinc/02/68/79/377026879.db2.gz WCXGDIXXGHRPAT-XJKSGUPXSA-N 2 1 274.408 2.314 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423131764 377030018 /nfs/dbraw/zinc/03/00/18/377030018.db2.gz IMBOTYXHUGZTPN-GWCFXTLKSA-N 2 1 287.329 2.231 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423130108 377030312 /nfs/dbraw/zinc/03/03/12/377030312.db2.gz YFUABPWEZAIDKM-DZJNRPSUSA-N 2 1 288.435 2.273 20 0 CEADMP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1c[nH+]ccc1N ZINC000423131272 377030638 /nfs/dbraw/zinc/03/06/38/377030638.db2.gz HVBHLZVZIJOZKU-AWEZNQCLSA-N 3 1 276.428 2.411 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423132169 377032763 /nfs/dbraw/zinc/03/27/63/377032763.db2.gz BRSYJQMDISQING-RBSFLKMASA-N 2 1 255.450 2.085 20 0 CEADMP CC[C@@H]([NH2+]CCc1cccnc1OC)[C@H]1CCCC[NH2+]1 ZINC000423142516 377041287 /nfs/dbraw/zinc/04/12/87/377041287.db2.gz VNZUCENWALFTPC-HUUCEWRRSA-N 2 1 277.412 2.143 20 0 CEADMP CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423145564 377043723 /nfs/dbraw/zinc/04/37/23/377043723.db2.gz LHGYHGYFYZYWGY-GMTAPVOTSA-N 2 1 268.323 2.074 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000562986586 377046140 /nfs/dbraw/zinc/04/61/40/377046140.db2.gz MVBYOCPSALGBRX-RDJZCZTQSA-N 2 1 294.414 2.051 20 0 CEADMP CC1(C)C(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1(C)C ZINC000423092497 376984622 /nfs/dbraw/zinc/98/46/22/376984622.db2.gz CAVOYTGJFCJVGJ-MJBXVCDLSA-N 2 1 280.456 2.415 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]C1CC(N2CCCCC2)C1 ZINC000423095198 376988106 /nfs/dbraw/zinc/98/81/06/376988106.db2.gz LPIZSVSNVPMVCK-WLYUNCDWSA-N 2 1 253.434 2.110 20 0 CEADMP Cc1cc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)n(C)n1 ZINC000423108045 377001055 /nfs/dbraw/zinc/00/10/55/377001055.db2.gz QQRWELSAGACHFN-GXTWGEPZSA-N 2 1 264.417 2.129 20 0 CEADMP COc1cccc(C(F)(F)C[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000423110959 377005075 /nfs/dbraw/zinc/00/50/75/377005075.db2.gz PQUWEXRQQQGPNH-LLVKDONJSA-N 2 1 287.354 2.289 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)[C@H]1CCC[NH2+]1 ZINC000423114898 377010241 /nfs/dbraw/zinc/01/02/41/377010241.db2.gz MLWYBSPKJDGRBG-IRCOFANPSA-N 2 1 262.344 2.267 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000423197794 377114042 /nfs/dbraw/zinc/11/40/42/377114042.db2.gz BEQVAIKDPLZJQK-NSHDSACASA-N 2 1 253.365 2.152 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000423203269 377120462 /nfs/dbraw/zinc/12/04/62/377120462.db2.gz CDYPKNXVNNOORS-VXGBXAGGSA-N 2 1 266.360 2.485 20 0 CEADMP CC[C@H]1C[N@@H+](C)CCN1C[C@H]1CCCC[NH+]1C(C)C ZINC000563024031 377064969 /nfs/dbraw/zinc/06/49/69/377064969.db2.gz XHVGTOVFHQHWKI-JKSUJKDBSA-N 2 1 267.461 2.275 20 0 CEADMP CC[C@H]1C[NH+](C)CCN1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000563024031 377064975 /nfs/dbraw/zinc/06/49/75/377064975.db2.gz XHVGTOVFHQHWKI-JKSUJKDBSA-N 2 1 267.461 2.275 20 0 CEADMP CC[C@H]1C[NH+](C)CCN1C[C@H]1CCCC[N@H+]1C(C)C ZINC000563024031 377064986 /nfs/dbraw/zinc/06/49/86/377064986.db2.gz XHVGTOVFHQHWKI-JKSUJKDBSA-N 2 1 267.461 2.275 20 0 CEADMP Cc1ccc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)nc1 ZINC000423167986 377074727 /nfs/dbraw/zinc/07/47/27/377074727.db2.gz SZVLPQKBVMGXKT-GFCCVEGCSA-N 2 1 256.353 2.091 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)ccc2OC)C1 ZINC000291106405 377075513 /nfs/dbraw/zinc/07/55/13/377075513.db2.gz BLJRMLZVSATJQG-GFCCVEGCSA-N 2 1 266.360 2.266 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)ccc2OC)C1 ZINC000291106405 377075520 /nfs/dbraw/zinc/07/55/20/377075520.db2.gz BLJRMLZVSATJQG-GFCCVEGCSA-N 2 1 266.360 2.266 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423169870 377076213 /nfs/dbraw/zinc/07/62/13/377076213.db2.gz WSMHEJZJQJAXKJ-QAPCUYQASA-N 3 1 289.467 2.409 20 0 CEADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423169870 377076220 /nfs/dbraw/zinc/07/62/20/377076220.db2.gz WSMHEJZJQJAXKJ-QAPCUYQASA-N 2 1 289.467 2.409 20 0 CEADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000423169870 377076226 /nfs/dbraw/zinc/07/62/26/377076226.db2.gz WSMHEJZJQJAXKJ-QAPCUYQASA-N 2 1 289.467 2.409 20 0 CEADMP CC[C@H]([NH2+][C@H]1Cc2cccc(OC)c2C1)[C@@H]1CCC[NH2+]1 ZINC000423171814 377079022 /nfs/dbraw/zinc/07/90/22/377079022.db2.gz QBNLLDGKWJNPBW-BPUTZDHNSA-N 2 1 274.408 2.283 20 0 CEADMP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423171823 377079453 /nfs/dbraw/zinc/07/94/53/377079453.db2.gz QCYGWWSSSYRULJ-JKJDWNRSSA-N 2 1 266.429 2.168 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000423183024 377094395 /nfs/dbraw/zinc/09/43/95/377094395.db2.gz MIASIAXUVPNAGN-JGGQBBKZSA-N 2 1 277.387 2.135 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423208979 377125024 /nfs/dbraw/zinc/12/50/24/377125024.db2.gz FVINMWLORLWHOE-XWSJACJDSA-N 2 1 299.462 2.381 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000563117914 377097904 /nfs/dbraw/zinc/09/79/04/377097904.db2.gz UMISWPYRPKSQHR-CYBMUJFWSA-N 2 1 274.412 2.174 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000563117914 377097906 /nfs/dbraw/zinc/09/79/06/377097906.db2.gz UMISWPYRPKSQHR-CYBMUJFWSA-N 2 1 274.412 2.174 20 0 CEADMP COc1ncc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc1Cl ZINC000423187125 377100403 /nfs/dbraw/zinc/10/04/03/377100403.db2.gz OZYUXTHTULUDGV-VIFPVBQESA-N 2 1 269.776 2.146 20 0 CEADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cncs1 ZINC000423189294 377101846 /nfs/dbraw/zinc/10/18/46/377101846.db2.gz OYMUQHNOEMOQCU-LBPRGKRZSA-N 2 1 276.409 2.369 20 0 CEADMP COC[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)C1CCOCC1 ZINC000423272008 377191467 /nfs/dbraw/zinc/19/14/67/377191467.db2.gz HUEMNYNQDXRWHQ-QGZVFWFLSA-N 2 1 298.471 2.330 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423215372 377131697 /nfs/dbraw/zinc/13/16/97/377131697.db2.gz QNCLPJFUKRPLMG-YPMHNXCESA-N 2 1 251.349 2.261 20 0 CEADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000423220743 377137184 /nfs/dbraw/zinc/13/71/84/377137184.db2.gz YMPAMINFHBOAID-ILXRZTDVSA-N 2 1 259.397 2.368 20 0 CEADMP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C1(C)C ZINC000423273770 377195796 /nfs/dbraw/zinc/19/57/96/377195796.db2.gz JILBRRVFJLBYFF-MGPQQGTHSA-N 2 1 254.418 2.153 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000423223251 377139013 /nfs/dbraw/zinc/13/90/13/377139013.db2.gz FPVBYBLZWJKBQB-UWVGGRQHSA-N 2 1 253.415 2.410 20 0 CEADMP CC[NH2+]CC[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000423237625 377157880 /nfs/dbraw/zinc/15/78/80/377157880.db2.gz QCOXWVPPUUTVOY-LLVKDONJSA-N 2 1 256.340 2.485 20 0 CEADMP C[NH2+]CC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423240956 377159418 /nfs/dbraw/zinc/15/94/18/377159418.db2.gz HMROBWVMRVSBDE-VIFPVBQESA-N 2 1 289.192 2.328 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000423255618 377174400 /nfs/dbraw/zinc/17/44/00/377174400.db2.gz AJVZTLAGVPNJLV-NEPJUHHUSA-N 2 1 266.433 2.453 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000423257892 377177526 /nfs/dbraw/zinc/17/75/26/377177526.db2.gz ANOUDJTYRYSEGG-HBNTYKKESA-N 2 1 268.323 2.059 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000423263913 377181860 /nfs/dbraw/zinc/18/18/60/377181860.db2.gz BKMLLJLOSYGLFL-AAEUAGOBSA-N 2 1 264.369 2.092 20 0 CEADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)[C@@H]1CCOC1 ZINC000423266071 377184746 /nfs/dbraw/zinc/18/47/46/377184746.db2.gz RTQZSXOJRCLWFP-ILXRZTDVSA-N 2 1 254.418 2.299 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C1(CC)CC ZINC000423268446 377187068 /nfs/dbraw/zinc/18/70/68/377187068.db2.gz DTYLEJBOBMNPAO-MGPQQGTHSA-N 2 1 254.418 2.297 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1OC ZINC000423267652 377187427 /nfs/dbraw/zinc/18/74/27/377187427.db2.gz CZWNWYNTURWDCS-GXFFZTMASA-N 2 1 264.369 2.092 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C12CCCCC2 ZINC000423280531 377208074 /nfs/dbraw/zinc/20/80/74/377208074.db2.gz SVZJLGDGSLWOGJ-RBSFLKMASA-N 2 1 266.429 2.441 20 0 CEADMP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)[C@@H]1CCCO1 ZINC000423286013 377214690 /nfs/dbraw/zinc/21/46/90/377214690.db2.gz ZEPSVSJRPPBKGX-ZFWWWQNUSA-N 2 1 254.418 2.456 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000563445095 377227143 /nfs/dbraw/zinc/22/71/43/377227143.db2.gz WVVQOIYRJAZMLW-ARFHVFGLSA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423298081 377227867 /nfs/dbraw/zinc/22/78/67/377227867.db2.gz NBNJXIFIQDLUHH-WFASDCNBSA-N 2 1 250.386 2.347 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000423299644 377229969 /nfs/dbraw/zinc/22/99/69/377229969.db2.gz QHYDBDWEHMVQIF-QWHCGFSZSA-N 3 1 272.396 2.426 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423303174 377233283 /nfs/dbraw/zinc/23/32/83/377233283.db2.gz WRFKPPQSEBWFKJ-GBJTYRQASA-N 2 1 266.429 2.441 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000423302924 377233414 /nfs/dbraw/zinc/23/34/14/377233414.db2.gz WKZNCARTWAYGFF-IGQOVBAYSA-N 2 1 270.417 2.071 20 0 CEADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423311695 377239974 /nfs/dbraw/zinc/23/99/74/377239974.db2.gz CGSQPVJEAKRYRB-DLBZAZTESA-N 2 1 299.422 2.045 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000423316425 377245895 /nfs/dbraw/zinc/24/58/95/377245895.db2.gz ASUNXCRCGRXECY-KGLIPLIRSA-N 2 1 289.423 2.168 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000423317510 377248299 /nfs/dbraw/zinc/24/82/99/377248299.db2.gz BPUZHFNRQVZXHO-PMPSAXMXSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1 ZINC000423320355 377249823 /nfs/dbraw/zinc/24/98/23/377249823.db2.gz GFCVCGFAPAWKTG-NEPJUHHUSA-N 2 1 278.400 2.214 20 0 CEADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423323831 377255078 /nfs/dbraw/zinc/25/50/78/377255078.db2.gz OXAWZVTXBBYMPF-SUMWQHHRSA-N 3 1 291.439 2.015 20 0 CEADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2c(c1)OCCO2 ZINC000423277827 377202728 /nfs/dbraw/zinc/20/27/28/377202728.db2.gz OZSUICQZAHUTAZ-KGLIPLIRSA-N 2 1 276.380 2.236 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1Cc2cccc(C)c2CC1(C)C ZINC000563968616 377331909 /nfs/dbraw/zinc/33/19/09/377331909.db2.gz DSKXJATUPSXNHW-MRXNPFEDSA-N 2 1 290.451 2.444 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1Cc2cccc(C)c2CC1(C)C ZINC000563968616 377331914 /nfs/dbraw/zinc/33/19/14/377331914.db2.gz DSKXJATUPSXNHW-MRXNPFEDSA-N 2 1 290.451 2.444 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1Cc2cccc(C)c2CC1(C)C ZINC000563968616 377331923 /nfs/dbraw/zinc/33/19/23/377331923.db2.gz DSKXJATUPSXNHW-MRXNPFEDSA-N 2 1 290.451 2.444 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1Cc2cccc(C)c2CC1(C)C ZINC000563968616 377331927 /nfs/dbraw/zinc/33/19/27/377331927.db2.gz DSKXJATUPSXNHW-MRXNPFEDSA-N 2 1 290.451 2.444 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3ccccc3)C2)C1 ZINC000292994598 377383850 /nfs/dbraw/zinc/38/38/50/377383850.db2.gz OJJRVMBKRUNNBN-KRWDZBQOSA-N 2 1 274.408 2.483 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCOc3ccccc3)C2)C1 ZINC000292994598 377383857 /nfs/dbraw/zinc/38/38/57/377383857.db2.gz OJJRVMBKRUNNBN-KRWDZBQOSA-N 2 1 274.408 2.483 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOc3ccccc3)C2)C1 ZINC000292994598 377383865 /nfs/dbraw/zinc/38/38/65/377383865.db2.gz OJJRVMBKRUNNBN-KRWDZBQOSA-N 2 1 274.408 2.483 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000425924001 377388521 /nfs/dbraw/zinc/38/85/21/377388521.db2.gz VBKLNNSXFQXMDF-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000425924001 377388531 /nfs/dbraw/zinc/38/85/31/377388531.db2.gz VBKLNNSXFQXMDF-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP C[N@@H+](C[C@H](O)Cc1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000293129271 377439145 /nfs/dbraw/zinc/43/91/45/377439145.db2.gz PRJSFYDRFUPZNV-DOTOQJQBSA-N 2 1 294.414 2.003 20 0 CEADMP C[NH+](C[C@H](O)Cc1ccc(F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000293129271 377439159 /nfs/dbraw/zinc/43/91/59/377439159.db2.gz PRJSFYDRFUPZNV-DOTOQJQBSA-N 2 1 294.414 2.003 20 0 CEADMP C[NH+](C[C@H](O)Cc1ccc(F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000293129271 377439167 /nfs/dbraw/zinc/43/91/67/377439167.db2.gz PRJSFYDRFUPZNV-DOTOQJQBSA-N 2 1 294.414 2.003 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCc3ccccn3)C2)C1 ZINC000293056471 377409743 /nfs/dbraw/zinc/40/97/43/377409743.db2.gz UJYPYTBDUSONFF-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCc3ccccn3)C2)C1 ZINC000293056471 377409753 /nfs/dbraw/zinc/40/97/53/377409753.db2.gz UJYPYTBDUSONFF-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3ccccn3)C2)C1 ZINC000293056471 377409757 /nfs/dbraw/zinc/40/97/57/377409757.db2.gz UJYPYTBDUSONFF-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000293249368 377490817 /nfs/dbraw/zinc/49/08/17/377490817.db2.gz BOJJWERHNBKGNW-NWDGAFQWSA-N 2 1 264.369 2.264 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000431050186 377591355 /nfs/dbraw/zinc/59/13/55/377591355.db2.gz SEUPURQPXLEFOO-HUUCEWRRSA-N 2 1 295.471 2.084 20 0 CEADMP Cc1noc(C)c1C(C)(C)[NH2+]CCCc1c[nH+]cn1C ZINC000565174529 377589093 /nfs/dbraw/zinc/58/90/93/377589093.db2.gz SMOIFLASAGIPEO-UHFFFAOYSA-N 2 1 276.384 2.482 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1)c1ccccc1 ZINC000431072939 377593853 /nfs/dbraw/zinc/59/38/53/377593853.db2.gz HKWRUQSVWUPHDH-GFCCVEGCSA-N 2 1 288.395 2.499 20 0 CEADMP CC(C)(C)[C@@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431073652 377594198 /nfs/dbraw/zinc/59/41/98/377594198.db2.gz ZMXNVIJGKASREC-JTQLQIEISA-N 2 1 266.389 2.274 20 0 CEADMP COc1ccc(Br)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000084721684 249301857 /nfs/dbraw/zinc/30/18/57/249301857.db2.gz UXWJMWVZKLRHFC-UHFFFAOYSA-N 2 1 299.212 2.299 20 0 CEADMP Cc1cc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c2ccccc2n1 ZINC000313359764 249393816 /nfs/dbraw/zinc/39/38/16/249393816.db2.gz VQFTXJAHZSBOMZ-OAHLLOKOSA-N 2 1 285.391 2.093 20 0 CEADMP Cc1cc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c2ccccc2n1 ZINC000313359764 249393821 /nfs/dbraw/zinc/39/38/21/249393821.db2.gz VQFTXJAHZSBOMZ-OAHLLOKOSA-N 2 1 285.391 2.093 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)CC[N@@H+]1C ZINC000293651403 377678779 /nfs/dbraw/zinc/67/87/79/377678779.db2.gz LIDRWZCTLXQRLM-QLFBSQMISA-N 2 1 291.414 2.477 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)CC[N@H+]1C ZINC000293651403 377678786 /nfs/dbraw/zinc/67/87/86/377678786.db2.gz LIDRWZCTLXQRLM-QLFBSQMISA-N 2 1 291.414 2.477 20 0 CEADMP CCCC[C@@H](COC)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432418573 377759383 /nfs/dbraw/zinc/75/93/83/377759383.db2.gz STQHSOHBCLNIDP-CVEARBPZSA-N 2 1 286.460 2.282 20 0 CEADMP CCCC[C@@H](COC)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432418573 377759392 /nfs/dbraw/zinc/75/93/92/377759392.db2.gz STQHSOHBCLNIDP-CVEARBPZSA-N 2 1 286.460 2.282 20 0 CEADMP COC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCC1 ZINC000432422176 377760915 /nfs/dbraw/zinc/76/09/15/377760915.db2.gz SHIMVOAPEUOJNI-WBVHZDCISA-N 2 1 298.471 2.282 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3cnn(C)c3c2)CC[N@H+]1C ZINC000566771341 377768004 /nfs/dbraw/zinc/76/80/04/377768004.db2.gz AKUSFZCVFQVCBV-DOMZBBRYSA-N 2 1 272.396 2.146 20 0 CEADMP Cc1cc(OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)c(C)[nH+]1 ZINC000567518989 377833532 /nfs/dbraw/zinc/83/35/32/377833532.db2.gz AUTIGKFMPHYFDI-GASCZTMLSA-N 2 1 276.380 2.249 20 0 CEADMP Cc1cc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)c(C)[nH+]1 ZINC000567518989 377833542 /nfs/dbraw/zinc/83/35/42/377833542.db2.gz AUTIGKFMPHYFDI-GASCZTMLSA-N 2 1 276.380 2.249 20 0 CEADMP C[C@H](O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000438983338 377916902 /nfs/dbraw/zinc/91/69/02/377916902.db2.gz ZKFDIASPBAUWBU-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP CC(C)C[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441348276 377936305 /nfs/dbraw/zinc/93/63/05/377936305.db2.gz MVMCMTCTSHVOPX-CQSZACIVSA-N 2 1 255.450 2.037 20 0 CEADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441354389 377938653 /nfs/dbraw/zinc/93/86/53/377938653.db2.gz IKPRNSHEMXCOKA-LSDHHAIUSA-N 2 1 281.488 2.427 20 0 CEADMP COc1ccccc1CC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000442667464 377978671 /nfs/dbraw/zinc/97/86/71/377978671.db2.gz ZYJCIXXLMIIWGA-ZDUSSCGKSA-N 2 1 262.397 2.297 20 0 CEADMP Cn1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(-c2ccncc2)n1 ZINC000442931134 378019463 /nfs/dbraw/zinc/01/94/63/378019463.db2.gz VEEXFUNUTICEEN-AWEZNQCLSA-N 2 1 299.422 2.043 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1)C(C)C ZINC000443070921 378035579 /nfs/dbraw/zinc/03/55/79/378035579.db2.gz LWUWYLGTLOICTK-GJZGRUSLSA-N 2 1 283.460 2.081 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC000447569608 378116972 /nfs/dbraw/zinc/11/69/72/378116972.db2.gz CRRZQTXZJBFVNJ-BZUAXINKSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000447569608 378116980 /nfs/dbraw/zinc/11/69/80/378116980.db2.gz CRRZQTXZJBFVNJ-BZUAXINKSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000447569608 378116990 /nfs/dbraw/zinc/11/69/90/378116990.db2.gz CRRZQTXZJBFVNJ-BZUAXINKSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000447569608 378116997 /nfs/dbraw/zinc/11/69/97/378116997.db2.gz CRRZQTXZJBFVNJ-BZUAXINKSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000447569608 378117001 /nfs/dbraw/zinc/11/70/01/378117001.db2.gz CRRZQTXZJBFVNJ-BZUAXINKSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C(C)C ZINC000447123057 378094290 /nfs/dbraw/zinc/09/42/90/378094290.db2.gz RTXKRXDAQOCMCQ-FICVDOATSA-N 2 1 258.450 2.300 20 0 CEADMP CC(C)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C(C)C ZINC000447123057 378094295 /nfs/dbraw/zinc/09/42/95/378094295.db2.gz RTXKRXDAQOCMCQ-FICVDOATSA-N 2 1 258.450 2.300 20 0 CEADMP CC(C)[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C(C)C ZINC000447123057 378094299 /nfs/dbraw/zinc/09/42/99/378094299.db2.gz RTXKRXDAQOCMCQ-FICVDOATSA-N 2 1 258.450 2.300 20 0 CEADMP CC(C)[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CC[C@@H](C(C)C)C2)C1 ZINC000447308857 378101365 /nfs/dbraw/zinc/10/13/65/378101365.db2.gz INBCBVAMLWMOMW-BJWYYQGGSA-N 2 1 282.472 2.303 20 0 CEADMP CC(C)[C@@H]1CC[NH+](CC(O)C[N@@H+]2CC[C@@H](C(C)C)C2)C1 ZINC000447308859 378101568 /nfs/dbraw/zinc/10/15/68/378101568.db2.gz INBCBVAMLWMOMW-HZPDHXFCSA-N 2 1 282.472 2.303 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000295822749 378317960 /nfs/dbraw/zinc/31/79/60/378317960.db2.gz BYRCGVITTICSKM-SIXLDLHFSA-N 2 1 274.408 2.010 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000295822749 378317970 /nfs/dbraw/zinc/31/79/70/378317970.db2.gz BYRCGVITTICSKM-SIXLDLHFSA-N 2 1 274.408 2.010 20 0 CEADMP C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000450251844 378327883 /nfs/dbraw/zinc/32/78/83/378327883.db2.gz DRHNNYHGIQSVKQ-WMLDXEAASA-N 2 1 276.424 2.177 20 0 CEADMP FC1(F)CC(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)C1 ZINC000450403460 378397188 /nfs/dbraw/zinc/39/71/88/378397188.db2.gz LYOWHUYAIYODNK-ZDUSSCGKSA-N 2 1 288.382 2.076 20 0 CEADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cccnc1N ZINC000295965473 378372710 /nfs/dbraw/zinc/37/27/10/378372710.db2.gz JUTFTLOIKBZZRK-UHFFFAOYSA-N 2 1 287.411 2.335 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccnc1N ZINC000295965473 378372718 /nfs/dbraw/zinc/37/27/18/378372718.db2.gz JUTFTLOIKBZZRK-UHFFFAOYSA-N 2 1 287.411 2.335 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)[NH2+]C3CC3)c2C1 ZINC000295983895 378381552 /nfs/dbraw/zinc/38/15/52/378381552.db2.gz JSTRJPSROTWPOG-LBPRGKRZSA-N 2 1 287.407 2.491 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)[NH2+]C3CC3)c2C1 ZINC000295983895 378381559 /nfs/dbraw/zinc/38/15/59/378381559.db2.gz JSTRJPSROTWPOG-LBPRGKRZSA-N 2 1 287.407 2.491 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCc2cscn2)C1 ZINC000450458650 378429689 /nfs/dbraw/zinc/42/96/89/378429689.db2.gz YSESFJBIGMZXIG-HNNXBMFYSA-N 2 1 297.468 2.118 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC[NH+](C)Cc1ccccc1 ZINC000450656964 378522607 /nfs/dbraw/zinc/52/26/07/378522607.db2.gz WPCFIPREYXTBAB-JKSUJKDBSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1CC[N@H+](C)Cc1ccccc1 ZINC000450656964 378522614 /nfs/dbraw/zinc/52/26/14/378522614.db2.gz WPCFIPREYXTBAB-JKSUJKDBSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1CC[N@@H+](C)Cc1ccccc1 ZINC000450656964 378522620 /nfs/dbraw/zinc/52/26/20/378522620.db2.gz WPCFIPREYXTBAB-JKSUJKDBSA-N 2 1 275.440 2.143 20 0 CEADMP Cc1ccc2[nH+]ccc(N3CC[N@H+](CCO)C[C@@H]3C)c2c1 ZINC000450951925 378658153 /nfs/dbraw/zinc/65/81/53/378658153.db2.gz GWAMJNXJZBNVPN-AWEZNQCLSA-N 2 1 285.391 2.046 20 0 CEADMP C[N@H+](CCc1cscn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450984328 378671018 /nfs/dbraw/zinc/67/10/18/378671018.db2.gz VGMUECKKNFYIKX-PBWFPOADSA-N 2 1 265.426 2.243 20 0 CEADMP C[N@@H+](CCc1cscn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450984328 378671021 /nfs/dbraw/zinc/67/10/21/378671021.db2.gz VGMUECKKNFYIKX-PBWFPOADSA-N 2 1 265.426 2.243 20 0 CEADMP C[NH+](CCc1cscn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450984328 378671024 /nfs/dbraw/zinc/67/10/24/378671024.db2.gz VGMUECKKNFYIKX-PBWFPOADSA-N 2 1 265.426 2.243 20 0 CEADMP C[NH+](CCc1cscn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450984328 378671029 /nfs/dbraw/zinc/67/10/29/378671029.db2.gz VGMUECKKNFYIKX-PBWFPOADSA-N 2 1 265.426 2.243 20 0 CEADMP C[C@@H](Cc1cnccn1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000453096609 378800238 /nfs/dbraw/zinc/80/02/38/378800238.db2.gz UFQPAPVZQAPCEM-LSDHHAIUSA-N 2 1 276.428 2.262 20 0 CEADMP CC[NH+](CC)C[C@H]1CCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000266217496 190241028 /nfs/dbraw/zinc/24/10/28/190241028.db2.gz PJNUZKIADYFXRX-GFCCVEGCSA-N 2 1 273.384 2.126 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453104331 378804721 /nfs/dbraw/zinc/80/47/21/378804721.db2.gz ZBTRGOWJEGPYGE-MRXNPFEDSA-N 2 1 266.429 2.002 20 0 CEADMP C[C@@H]1CCc2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)sc2C1 ZINC000346819396 218022674 /nfs/dbraw/zinc/02/26/74/218022674.db2.gz BRHIJRNQQHIFPA-VOAKCMCISA-N 2 1 291.464 2.437 20 0 CEADMP C[C@@H]1CCc2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)sc2C1 ZINC000346819396 218022676 /nfs/dbraw/zinc/02/26/76/218022676.db2.gz BRHIJRNQQHIFPA-VOAKCMCISA-N 2 1 291.464 2.437 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]12 ZINC000346851803 218036040 /nfs/dbraw/zinc/03/60/40/218036040.db2.gz QYVXBRRRDFWYOJ-USXIJHARSA-N 2 1 282.391 2.041 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000453291130 378855240 /nfs/dbraw/zinc/85/52/40/378855240.db2.gz NXUQHTFJRRWUSZ-KBPBESRZSA-N 2 1 261.413 2.289 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@H]21 ZINC000346855695 218038218 /nfs/dbraw/zinc/03/82/18/218038218.db2.gz VGEUCVGACXCJBO-CGTJXYLNSA-N 2 1 296.418 2.432 20 0 CEADMP Cc1ncsc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000453312067 378861084 /nfs/dbraw/zinc/86/10/84/378861084.db2.gz UCOLCGRSNOFFMW-MCIONIFRSA-N 2 1 279.453 2.456 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000346995453 218085157 /nfs/dbraw/zinc/08/51/57/218085157.db2.gz BZGYIBNDHBSLNN-IOASZLSFSA-N 2 1 262.397 2.468 20 0 CEADMP COc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1O ZINC000453599688 378918307 /nfs/dbraw/zinc/91/83/07/378918307.db2.gz LPQKPCPPCROZFF-UHFFFAOYSA-N 2 1 278.396 2.365 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000347031682 218098154 /nfs/dbraw/zinc/09/81/54/218098154.db2.gz AIKVHEGHMSLQOC-OAHLLOKOSA-N 2 1 284.407 2.222 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000347031682 218098156 /nfs/dbraw/zinc/09/81/56/218098156.db2.gz AIKVHEGHMSLQOC-OAHLLOKOSA-N 2 1 284.407 2.222 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccncc2)C1 ZINC000347034012 218098450 /nfs/dbraw/zinc/09/84/50/218098450.db2.gz FLCLCNBDDCPJBW-UKRRQHHQSA-N 2 1 299.422 2.041 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC000347061000 218108544 /nfs/dbraw/zinc/10/85/44/218108544.db2.gz VQRSTURBRZSYAL-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC000347061000 218108545 /nfs/dbraw/zinc/10/85/45/218108545.db2.gz VQRSTURBRZSYAL-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC000347061000 218108548 /nfs/dbraw/zinc/10/85/48/218108548.db2.gz VQRSTURBRZSYAL-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC000347061000 218108551 /nfs/dbraw/zinc/10/85/51/218108551.db2.gz VQRSTURBRZSYAL-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000347113291 218126344 /nfs/dbraw/zinc/12/63/44/218126344.db2.gz RSKXYTRDVXISOR-GFCCVEGCSA-N 2 1 270.323 2.111 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347175853 218144982 /nfs/dbraw/zinc/14/49/82/218144982.db2.gz QPFFPXVQVLLKPY-CQSZACIVSA-N 2 1 284.363 2.050 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000347207283 218154305 /nfs/dbraw/zinc/15/43/05/218154305.db2.gz MTBDSTYRKABFOU-LBPRGKRZSA-N 2 1 276.409 2.105 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278661032 194089176 /nfs/dbraw/zinc/08/91/76/194089176.db2.gz GNICJKNXCKSTMZ-ZDUSSCGKSA-N 2 1 295.402 2.120 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278661032 194089178 /nfs/dbraw/zinc/08/91/78/194089178.db2.gz GNICJKNXCKSTMZ-ZDUSSCGKSA-N 2 1 295.402 2.120 20 0 CEADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000497087808 379046610 /nfs/dbraw/zinc/04/66/10/379046610.db2.gz HNZILDRSCOWKIF-NHYWBVRUSA-N 2 1 289.379 2.031 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)CC1 ZINC000347342904 218197162 /nfs/dbraw/zinc/19/71/62/218197162.db2.gz PQBRFROPNOOLHR-SJORKVTESA-N 2 1 298.471 2.281 20 0 CEADMP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000503889668 379071689 /nfs/dbraw/zinc/07/16/89/379071689.db2.gz WTWWIOPTKREZJF-WUHRBBMRSA-N 2 1 274.355 2.363 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(F)c1 ZINC000299931276 379145879 /nfs/dbraw/zinc/14/58/79/379145879.db2.gz ARWZCDHJKALHFW-PJODQICGSA-N 2 1 278.371 2.394 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC[C@H]1CCCCO1 ZINC000347477515 218249995 /nfs/dbraw/zinc/24/99/95/218249995.db2.gz CPNFPYNGXMEJQQ-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CC[C@H]1CCCCO1 ZINC000347477515 218249998 /nfs/dbraw/zinc/24/99/98/218249998.db2.gz CPNFPYNGXMEJQQ-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1nccs1 ZINC000300419073 379171525 /nfs/dbraw/zinc/17/15/25/379171525.db2.gz NHJKCTZAINOUOJ-UPJWGTAASA-N 2 1 265.426 2.463 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CC[C@H]1CCCCO1)CC[NH2+]CC2 ZINC000335281847 296294631 /nfs/dbraw/zinc/29/46/31/296294631.db2.gz ZTXUGNMZQBLLDX-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1c[nH+]ccc1N ZINC000516562073 379292220 /nfs/dbraw/zinc/29/22/20/379292220.db2.gz KYJGSRSSFBNEBP-MNOVXSKESA-N 2 1 251.399 2.288 20 0 CEADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000516562017 379292532 /nfs/dbraw/zinc/29/25/32/379292532.db2.gz HASJLHOKHBUMJM-SWLSCSKDSA-N 2 1 275.396 2.039 20 0 CEADMP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000278916393 194210995 /nfs/dbraw/zinc/21/09/95/194210995.db2.gz HIKHHPBSQXOUQF-UONOGXRCSA-N 2 1 270.380 2.500 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000266608156 190270585 /nfs/dbraw/zinc/27/05/85/190270585.db2.gz URPQTSUWBNJZOI-WBVHZDCISA-N 2 1 276.424 2.384 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000266608156 190270586 /nfs/dbraw/zinc/27/05/86/190270586.db2.gz URPQTSUWBNJZOI-WBVHZDCISA-N 2 1 276.424 2.384 20 0 CEADMP CCc1ccc([C@@H](CC)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000305125956 379650039 /nfs/dbraw/zinc/65/00/39/379650039.db2.gz LDTZJACRACAHJW-HZPDHXFCSA-N 2 1 264.413 2.212 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)CCC(C)C)[C@H](C)C1 ZINC000305132968 379653165 /nfs/dbraw/zinc/65/31/65/379653165.db2.gz KHPIHNXAIUAYER-OWCLPIDISA-N 2 1 270.461 2.494 20 0 CEADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000457112374 379673678 /nfs/dbraw/zinc/67/36/78/379673678.db2.gz JEYJEKDLVLRXAS-INIZCTEOSA-N 2 1 295.471 2.048 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000267303599 190319872 /nfs/dbraw/zinc/31/98/72/190319872.db2.gz VFTCJEPDQKUAKO-MNOVXSKESA-N 2 1 259.357 2.243 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000305703234 379734901 /nfs/dbraw/zinc/73/49/01/379734901.db2.gz XEINLIMLPXVMMN-AWEZNQCLSA-N 2 1 267.417 2.311 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000305703234 379734909 /nfs/dbraw/zinc/73/49/09/379734909.db2.gz XEINLIMLPXVMMN-AWEZNQCLSA-N 2 1 267.417 2.311 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305296792 379704770 /nfs/dbraw/zinc/70/47/70/379704770.db2.gz GQAHKGPCLTZZPQ-JYJNAYRXSA-N 2 1 268.445 2.390 20 0 CEADMP COc1cccc([C@@H](C[NH2+]C2CC[NH+](C)CC2)OC)c1 ZINC000527739994 379803572 /nfs/dbraw/zinc/80/35/72/379803572.db2.gz PXJFJVUIKPHERL-MRXNPFEDSA-N 2 1 278.396 2.067 20 0 CEADMP Cc1cnccc1CNC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527806716 379819108 /nfs/dbraw/zinc/81/91/08/379819108.db2.gz FAVJLOSFDVKXPU-INIZCTEOSA-N 2 1 259.397 2.497 20 0 CEADMP C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528005186 379876638 /nfs/dbraw/zinc/87/66/38/379876638.db2.gz YRXYMTNCMSTQSN-KRWDZBQOSA-N 2 1 277.456 2.220 20 0 CEADMP Cc1ccc2ncc(CN3CC[N@@H+](C)[C@@H](C(C)C)C3)n2c1 ZINC000488509568 380106431 /nfs/dbraw/zinc/10/64/31/380106431.db2.gz AMBQPHVJXBTGEP-MRXNPFEDSA-N 2 1 286.423 2.415 20 0 CEADMP Cc1nc(C[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000333817715 380156106 /nfs/dbraw/zinc/15/61/06/380156106.db2.gz GXSVFKVUWPJCPU-LSDHHAIUSA-N 2 1 292.427 2.022 20 0 CEADMP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000334262248 380261963 /nfs/dbraw/zinc/26/19/63/380261963.db2.gz VBZOXAAOFOEUHF-KRWDZBQOSA-N 2 1 290.455 2.293 20 0 CEADMP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000334262248 380261968 /nfs/dbraw/zinc/26/19/68/380261968.db2.gz VBZOXAAOFOEUHF-KRWDZBQOSA-N 2 1 290.455 2.293 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000536758099 380231999 /nfs/dbraw/zinc/23/19/99/380231999.db2.gz XRNYZHFXQREUKK-HNNXBMFYSA-N 2 1 254.418 2.362 20 0 CEADMP C[N@H+]1CCC[C@]2(CCN(Cc3cnc4ccccn34)C2)C1 ZINC000334344945 380275896 /nfs/dbraw/zinc/27/58/96/380275896.db2.gz TXFIOYJOBUKNAY-KRWDZBQOSA-N 2 1 284.407 2.252 20 0 CEADMP C[NH+](C)Cc1cc(NC(=O)[C@H]2CC[N@H+](C)C2)ccc1Cl ZINC000547422332 380441244 /nfs/dbraw/zinc/44/12/44/380441244.db2.gz GREDWAKZXKNAAY-NSHDSACASA-N 2 1 295.814 2.292 20 0 CEADMP C[NH+](C)Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)C2)ccc1Cl ZINC000547422332 380441245 /nfs/dbraw/zinc/44/12/45/380441245.db2.gz GREDWAKZXKNAAY-NSHDSACASA-N 2 1 295.814 2.292 20 0 CEADMP C[C@@H]1COCC[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000334491987 380482558 /nfs/dbraw/zinc/48/25/58/380482558.db2.gz VIDUSFGCPNLRKX-LLVKDONJSA-N 2 1 263.366 2.155 20 0 CEADMP C[C@@H]1COCC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000334491987 380482564 /nfs/dbraw/zinc/48/25/64/380482564.db2.gz VIDUSFGCPNLRKX-LLVKDONJSA-N 2 1 263.366 2.155 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC[C@@H]2C(C)C)CC1 ZINC000552223412 380694040 /nfs/dbraw/zinc/69/40/40/380694040.db2.gz WPTICFLWYCMCNF-IAGOWNOFSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@H](C[N@H+](C)CCC[NH+]1CCCC1)NC(=O)OC(C)(C)C ZINC000493693083 381133153 /nfs/dbraw/zinc/13/31/53/381133153.db2.gz KOCAULYMAOVWGE-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP C[C@H](C[N@@H+](C)CCC[NH+]1CCCC1)NC(=O)OC(C)(C)C ZINC000493693083 381133159 /nfs/dbraw/zinc/13/31/59/381133159.db2.gz KOCAULYMAOVWGE-CQSZACIVSA-N 2 1 299.459 2.317 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+]1CCCC1)NC(=O)OC(C)(C)C ZINC000493693082 381133205 /nfs/dbraw/zinc/13/32/05/381133205.db2.gz KOCAULYMAOVWGE-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+]1CCCC1)NC(=O)OC(C)(C)C ZINC000493693082 381133214 /nfs/dbraw/zinc/13/32/14/381133214.db2.gz KOCAULYMAOVWGE-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)n21 ZINC000334818758 207130816 /nfs/dbraw/zinc/13/08/16/207130816.db2.gz DMRSOPUYKXQPEF-OCCSQVGLSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1cccc2ncc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)n21 ZINC000334818758 207130821 /nfs/dbraw/zinc/13/08/21/207130821.db2.gz DMRSOPUYKXQPEF-OCCSQVGLSA-N 2 1 272.396 2.059 20 0 CEADMP C[C@@H]1C[C@@H](CN2CC[N@@H+](C)CC23CCCCC3)CC[NH2+]1 ZINC000334858239 207198446 /nfs/dbraw/zinc/19/84/46/207198446.db2.gz CDWYNWXETGDDKN-CVEARBPZSA-N 2 1 279.472 2.325 20 0 CEADMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)nc1 ZINC000334866586 207213068 /nfs/dbraw/zinc/21/30/68/207213068.db2.gz BIUPGHFXCKLIEU-HOCLYGCPSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1nc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)oc1C ZINC000335280555 208090744 /nfs/dbraw/zinc/09/07/44/208090744.db2.gz VRTVHVRKTODFEL-NSHDSACASA-N 2 1 263.385 2.255 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335282916 208095695 /nfs/dbraw/zinc/09/56/95/208095695.db2.gz YJPGQWWRTPSBGC-LLVKDONJSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1cn2c(C[NH2+]CC3=CC[N@@H+](C)CC3)c(C)nc2s1 ZINC000392291461 542374840 /nfs/dbraw/zinc/37/48/40/542374840.db2.gz LMCVQPTUGIEJIL-UHFFFAOYSA-N 2 1 290.436 2.364 20 0 CEADMP COCC[C@@H]1CCCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261646239 285143544 /nfs/dbraw/zinc/14/35/44/285143544.db2.gz ARFRAFCEPHBUCA-AWEZNQCLSA-N 2 1 254.418 2.125 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC2(C(F)(F)F)CC2)CC1 ZINC000353946484 220425561 /nfs/dbraw/zinc/42/55/61/220425561.db2.gz GZQBFGCNHOSZQX-UHFFFAOYSA-N 2 1 280.334 2.029 20 0 CEADMP C[C@H](O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000281363162 195210907 /nfs/dbraw/zinc/21/09/07/195210907.db2.gz OADJUAVWKGWNCI-QSJFSLAZSA-N 2 1 276.424 2.113 20 0 CEADMP O[C@H](C[NH2+][C@H](c1ccc(F)cc1)C1CC1)C[NH+]1CCCC1 ZINC000359378076 285356778 /nfs/dbraw/zinc/35/67/78/285356778.db2.gz ZXJJKCBPVACGOW-SJORKVTESA-N 2 1 292.398 2.323 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)OC)[C@@H](C)C1 ZINC000336783893 285369743 /nfs/dbraw/zinc/36/97/43/285369743.db2.gz IAGRLJWQHNALEZ-UONOGXRCSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(C)(C)OC)[C@@H](C)C1 ZINC000336783893 285369744 /nfs/dbraw/zinc/36/97/44/285369744.db2.gz IAGRLJWQHNALEZ-UONOGXRCSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(C)(C)OC)[C@@H](C)C1 ZINC000336783893 285369745 /nfs/dbraw/zinc/36/97/45/285369745.db2.gz IAGRLJWQHNALEZ-UONOGXRCSA-N 2 1 256.434 2.464 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC[NH2+]C(C)(C)C)[C@@H](C)C1 ZINC000414694844 285396176 /nfs/dbraw/zinc/39/61/76/285396176.db2.gz GFTOODMTKAVUOS-KBPBESRZSA-N 2 1 255.450 2.037 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCC1 ZINC000355135374 533381748 /nfs/dbraw/zinc/38/17/48/533381748.db2.gz QLQBOOVXQFNLHR-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCC1 ZINC000355135374 533381754 /nfs/dbraw/zinc/38/17/54/533381754.db2.gz QLQBOOVXQFNLHR-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1[C@H]1CCCO1 ZINC000342043465 130216025 /nfs/dbraw/zinc/21/60/25/130216025.db2.gz GTJHORSIAHYDFP-QLFBSQMISA-N 2 1 252.402 2.114 20 0 CEADMP c1cc2c(nc[nH+]c2N2CCC([NH+]3CCCC3)CC2)[nH]1 ZINC000360468508 285451545 /nfs/dbraw/zinc/45/15/45/285451545.db2.gz WDBBXGIMMJNKSR-UHFFFAOYSA-N 2 1 271.368 2.023 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247172249 131101737 /nfs/dbraw/zinc/10/17/37/131101737.db2.gz YQJIOYALLCNYDH-NFAWXSAZSA-N 2 1 262.397 2.396 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247172249 131101739 /nfs/dbraw/zinc/10/17/39/131101739.db2.gz YQJIOYALLCNYDH-NFAWXSAZSA-N 2 1 262.397 2.396 20 0 CEADMP CC[C@@H](C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)OC ZINC000412977224 394449208 /nfs/dbraw/zinc/44/92/08/394449208.db2.gz LBOSBVNWCHFFAA-AWEZNQCLSA-N 2 1 265.401 2.100 20 0 CEADMP FC(F)(F)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000221098535 394461835 /nfs/dbraw/zinc/46/18/35/394461835.db2.gz ANPCMTUWTQNWNI-GHMZBOCLSA-N 2 1 250.308 2.260 20 0 CEADMP FC(F)(F)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000221098535 394461839 /nfs/dbraw/zinc/46/18/39/394461839.db2.gz ANPCMTUWTQNWNI-GHMZBOCLSA-N 2 1 250.308 2.260 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000221927560 394462986 /nfs/dbraw/zinc/46/29/86/394462986.db2.gz BFRVULJQCDYLCG-AWEZNQCLSA-N 2 1 264.417 2.117 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000221927560 394462990 /nfs/dbraw/zinc/46/29/90/394462990.db2.gz BFRVULJQCDYLCG-AWEZNQCLSA-N 2 1 264.417 2.117 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1(C)C ZINC000224522896 394465854 /nfs/dbraw/zinc/46/58/54/394465854.db2.gz DHWNUXMPSBAYNF-MQLXINIDSA-N 2 1 254.418 2.118 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](C)C2)CC1 ZINC000355581001 394466363 /nfs/dbraw/zinc/46/63/63/394466363.db2.gz IXRWYZDIVIPDBM-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1nccn1CC[N@@H+]1CCC[C@]1(CO)CC(C)C ZINC000355727464 394515190 /nfs/dbraw/zinc/51/51/90/394515190.db2.gz AXHYGGAODARFFR-OAHLLOKOSA-N 2 1 265.401 2.065 20 0 CEADMP CC(C)[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000036908339 394495747 /nfs/dbraw/zinc/49/57/47/394495747.db2.gz CUMPQRMUCGLVGT-IIAWOOMASA-N 2 1 267.461 2.178 20 0 CEADMP CCC(CC)(CCO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000305151589 394496138 /nfs/dbraw/zinc/49/61/38/394496138.db2.gz OWUVAELEZBYQAZ-SOUVJXGZSA-N 2 1 270.461 2.494 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000044534907 394507303 /nfs/dbraw/zinc/50/73/03/394507303.db2.gz HJCOHMUJOIIGQJ-KBPBESRZSA-N 2 1 290.407 2.450 20 0 CEADMP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000305772076 394512010 /nfs/dbraw/zinc/51/20/10/394512010.db2.gz SLZRJQIIRFIWKA-ZOBORPQBSA-N 2 1 256.434 2.102 20 0 CEADMP COc1cc(F)cc(C[NH2+]CCn2cc[nH+]c2C)c1 ZINC000312252745 394540861 /nfs/dbraw/zinc/54/08/61/394540861.db2.gz FIZRHVQXWWASIW-UHFFFAOYSA-N 2 1 263.316 2.129 20 0 CEADMP COc1cc(F)cc(C[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000312255110 394540889 /nfs/dbraw/zinc/54/08/89/394540889.db2.gz JDAZDZXFSQJUMA-LLVKDONJSA-N 2 1 254.349 2.122 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000248579651 394543173 /nfs/dbraw/zinc/54/31/73/394543173.db2.gz RCHKYJVZLGNJIZ-WMLDXEAASA-N 2 1 291.439 2.134 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](Cc2n[nH]cc2C)CC1 ZINC000356092757 394545143 /nfs/dbraw/zinc/54/51/43/394545143.db2.gz UVPHJZOZXOGORT-UHFFFAOYSA-N 2 1 264.417 2.272 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+](C)CC2CC[NH+](C)CC2)CCO1 ZINC000356967972 394665968 /nfs/dbraw/zinc/66/59/68/394665968.db2.gz PLRAGSSAJUEFLD-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2(OC)CCCC2)C1 ZINC000421821456 394606014 /nfs/dbraw/zinc/60/60/14/394606014.db2.gz RMLRVFOGZVFALC-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH+](C)CCSCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421836104 394610531 /nfs/dbraw/zinc/61/05/31/394610531.db2.gz NVNVFBJIAMWVHO-UHFFFAOYSA-N 2 1 294.464 2.314 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000356784112 394613481 /nfs/dbraw/zinc/61/34/81/394613481.db2.gz QQHDCUPUSTUULK-OAHLLOKOSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000356793260 394615871 /nfs/dbraw/zinc/61/58/71/394615871.db2.gz WFHOYHOWXUTREY-GDBMZVCRSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000356793260 394615873 /nfs/dbraw/zinc/61/58/73/394615873.db2.gz WFHOYHOWXUTREY-GDBMZVCRSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000356793260 394615877 /nfs/dbraw/zinc/61/58/77/394615877.db2.gz WFHOYHOWXUTREY-GDBMZVCRSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCCOC1 ZINC000356829739 394625244 /nfs/dbraw/zinc/62/52/44/394625244.db2.gz ALQBAXOJQZATNL-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCOC1 ZINC000356829739 394625247 /nfs/dbraw/zinc/62/52/47/394625247.db2.gz ALQBAXOJQZATNL-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCOC1 ZINC000356833940 394625932 /nfs/dbraw/zinc/62/59/32/394625932.db2.gz FTKRYTGKLKMLHW-XQLPTFJDSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCCOC1 ZINC000356833940 394625933 /nfs/dbraw/zinc/62/59/33/394625933.db2.gz FTKRYTGKLKMLHW-XQLPTFJDSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000335061849 394732304 /nfs/dbraw/zinc/73/23/04/394732304.db2.gz YJSLTWXDIFWUAC-DZGCQCFKSA-N 3 1 267.461 2.227 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422713864 394734759 /nfs/dbraw/zinc/73/47/59/394734759.db2.gz KJMYCOWWYXAHOB-RCCFBDPRSA-N 2 1 287.451 2.020 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422718786 394738127 /nfs/dbraw/zinc/73/81/27/394738127.db2.gz QBRKAGLGMKHVSR-LZWOXQAQSA-N 2 1 273.424 2.168 20 0 CEADMP CC(C)C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414707934 394749323 /nfs/dbraw/zinc/74/93/23/394749323.db2.gz PIFXOJZCVQVZHZ-JKSUJKDBSA-N 2 1 295.471 2.084 20 0 CEADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)[C@@H]1C[C@H]1C ZINC000414067001 394692710 /nfs/dbraw/zinc/69/27/10/394692710.db2.gz PYASNVSCWIOADF-ZACQAIPSSA-N 2 1 281.488 2.428 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000414075294 394695601 /nfs/dbraw/zinc/69/56/01/394695601.db2.gz OYPDNHTXORODQF-NUEKZKHPSA-N 2 1 289.423 2.238 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000414699731 394749516 /nfs/dbraw/zinc/74/95/16/394749516.db2.gz SAUJFLQPYHNPNO-HUUCEWRRSA-N 2 1 297.487 2.234 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000414699731 394749522 /nfs/dbraw/zinc/74/95/22/394749522.db2.gz SAUJFLQPYHNPNO-HUUCEWRRSA-N 2 1 297.487 2.234 20 0 CEADMP Fc1ccc(F)c(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422733287 394746146 /nfs/dbraw/zinc/74/61/46/394746146.db2.gz AVWDKRVQDBLBEC-CWRNSKLLSA-N 2 1 296.361 2.212 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422734139 394746426 /nfs/dbraw/zinc/74/64/26/394746426.db2.gz RZQPQBVNAOKXLP-RBSFLKMASA-N 2 1 255.450 2.227 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000357793003 394703768 /nfs/dbraw/zinc/70/37/68/394703768.db2.gz DUJDFWFWFGYLPB-FVQBIDKESA-N 2 1 268.445 2.248 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000268953120 394703841 /nfs/dbraw/zinc/70/38/41/394703841.db2.gz VRBBPWAYJSFQET-YALNPMBYSA-N 2 1 276.424 2.347 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357846710 394704273 /nfs/dbraw/zinc/70/42/73/394704273.db2.gz IFGHAVGMBLDYDC-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357846710 394704276 /nfs/dbraw/zinc/70/42/76/394704276.db2.gz IFGHAVGMBLDYDC-HUUCEWRRSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357846710 394704279 /nfs/dbraw/zinc/70/42/79/394704279.db2.gz IFGHAVGMBLDYDC-HUUCEWRRSA-N 3 1 267.461 2.038 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414111053 394705362 /nfs/dbraw/zinc/70/53/62/394705362.db2.gz ISMASIJYGVRJIK-XYVMCAHJSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414111053 394705364 /nfs/dbraw/zinc/70/53/64/394705364.db2.gz ISMASIJYGVRJIK-XYVMCAHJSA-N 2 1 288.435 2.258 20 0 CEADMP Fc1ccc(F)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422733288 394746591 /nfs/dbraw/zinc/74/65/91/394746591.db2.gz AVWDKRVQDBLBEC-FVQBIDKESA-N 2 1 296.361 2.212 20 0 CEADMP CNC(=O)C[C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000269015461 394707573 /nfs/dbraw/zinc/70/75/73/394707573.db2.gz YEZICHXBAXGHKN-CABCVRRESA-N 2 1 291.439 2.011 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc3ccccc3n2C)C[C@H]1C[NH3+] ZINC000422561532 394711906 /nfs/dbraw/zinc/71/19/06/394711906.db2.gz LSZQFFDIKZSAPM-MGPQQGTHSA-N 2 1 286.423 2.379 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc3ccccc3n2C)C[C@H]1C[NH3+] ZINC000422561532 394711910 /nfs/dbraw/zinc/71/19/10/394711910.db2.gz LSZQFFDIKZSAPM-MGPQQGTHSA-N 2 1 286.423 2.379 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)o1 ZINC000422564293 394712967 /nfs/dbraw/zinc/71/29/67/394712967.db2.gz VPHPLQBWTBAWDX-AGIUHOORSA-N 2 1 294.395 2.262 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)o1 ZINC000422564293 394712969 /nfs/dbraw/zinc/71/29/69/394712969.db2.gz VPHPLQBWTBAWDX-AGIUHOORSA-N 2 1 294.395 2.262 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C2 ZINC000414189946 394726880 /nfs/dbraw/zinc/72/68/80/394726880.db2.gz RDCFRGWBLIHQBX-BPLDGKMQSA-N 2 1 274.408 2.235 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C2 ZINC000414189946 394726885 /nfs/dbraw/zinc/72/68/85/394726885.db2.gz RDCFRGWBLIHQBX-BPLDGKMQSA-N 2 1 274.408 2.235 20 0 CEADMP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1F ZINC000422704232 394728345 /nfs/dbraw/zinc/72/83/45/394728345.db2.gz KDAVBNJJXVAZMA-SMDDNHRTSA-N 2 1 266.360 2.107 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000414750792 394750713 /nfs/dbraw/zinc/75/07/13/394750713.db2.gz YTSJOECUGPGUEG-HUUCEWRRSA-N 2 1 254.418 2.108 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(CO)c1 ZINC000422739285 394750681 /nfs/dbraw/zinc/75/06/81/394750681.db2.gz KYOOBAOQDITLTD-RDTXWAMCSA-N 2 1 284.403 2.227 20 0 CEADMP C([C@H]1CCSC1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414779987 394751030 /nfs/dbraw/zinc/75/10/30/394751030.db2.gz KZRVABKDEHQARJ-RDBSUJKOSA-N 2 1 254.443 2.061 20 0 CEADMP C[NH2+]CC[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414823731 394753936 /nfs/dbraw/zinc/75/39/36/394753936.db2.gz IXMUZCHMSBDYMX-SNVBAGLBSA-N 2 1 260.303 2.445 20 0 CEADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000359430513 394754151 /nfs/dbraw/zinc/75/41/51/394754151.db2.gz RMMUCJSQFCRNMY-AWEZNQCLSA-N 2 1 274.408 2.407 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1C ZINC000414829007 394757029 /nfs/dbraw/zinc/75/70/29/394757029.db2.gz AACBQNWLCCBTSJ-ZDUSSCGKSA-N 2 1 272.396 2.126 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414830326 394757793 /nfs/dbraw/zinc/75/77/93/394757793.db2.gz AXBYZXNOFHVJJA-ZFWWWQNUSA-N 2 1 256.434 2.402 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1cccs1)[NH+](C)C ZINC000422751025 394758414 /nfs/dbraw/zinc/75/84/14/394758414.db2.gz BUUBREZOTLQZPE-MGPQQGTHSA-N 2 1 281.469 2.329 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000422752414 394760108 /nfs/dbraw/zinc/76/01/08/394760108.db2.gz FBEBHWXCQRGTLY-MELADBBJSA-N 2 1 255.450 2.212 20 0 CEADMP c1ccc([C@@H]2C[C@H]([NH2+]CC[C@@H]3CCC[NH2+]C3)CC[NH2+]2)cc1 ZINC000414835224 394761505 /nfs/dbraw/zinc/76/15/05/394761505.db2.gz ICCJZPQJOZYIOZ-JQHSSLGASA-N 3 1 287.451 2.459 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(OC)c1OC(F)F ZINC000414839177 394763524 /nfs/dbraw/zinc/76/35/24/394763524.db2.gz LXNFMRGKFDUWPB-SNVBAGLBSA-N 2 1 288.338 2.242 20 0 CEADMP COCCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414838559 394763797 /nfs/dbraw/zinc/76/37/97/394763797.db2.gz XACNUJDRIPFJRR-XYPWUTKMSA-N 2 1 290.407 2.084 20 0 CEADMP C[C@H]([NH2+]CCN1c2ccccc2C[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422759868 394764027 /nfs/dbraw/zinc/76/40/27/394764027.db2.gz KHJUMLIHVPHYNE-DZKIICNBSA-N 2 1 273.424 2.168 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000414845306 394766845 /nfs/dbraw/zinc/76/68/45/394766845.db2.gz SDKWTZMWZYGTEN-CYBMUJFWSA-N 2 1 286.423 2.434 20 0 CEADMP COc1ccc2nc(C[NH2+]C[C@H]3CCC[NH2+]C3)sc2c1 ZINC000414851359 394770477 /nfs/dbraw/zinc/77/04/77/394770477.db2.gz JBTMWGJSOVTSLM-NSHDSACASA-N 2 1 291.420 2.394 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422768445 394771184 /nfs/dbraw/zinc/77/11/84/394771184.db2.gz SZUDIJPFZWUFQH-XGUBFFRZSA-N 2 1 269.477 2.458 20 0 CEADMP COCc1cccc(C[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000414855603 394772846 /nfs/dbraw/zinc/77/28/46/394772846.db2.gz XHBPVOHVRDWCKO-OAHLLOKOSA-N 2 1 250.386 2.296 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414861688 394775593 /nfs/dbraw/zinc/77/55/93/394775593.db2.gz SWVVBTKPKBKVMF-UHFFFAOYSA-N 2 1 294.292 2.466 20 0 CEADMP [NH3+]CC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000335566395 394775802 /nfs/dbraw/zinc/77/58/02/394775802.db2.gz UBLWECYVONWINB-LBPRGKRZSA-N 2 1 269.186 2.375 20 0 CEADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000422776575 394776687 /nfs/dbraw/zinc/77/66/87/394776687.db2.gz CZZLRAZCCMNRBW-PXWWUCIGSA-N 2 1 286.778 2.321 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422779528 394778575 /nfs/dbraw/zinc/77/85/75/394778575.db2.gz BWOOZUOAXKTFFA-ZOWXZIJZSA-N 2 1 266.360 2.323 20 0 CEADMP CC[C@H](NCCC1CC[NH+](CC)CC1)[C@@H]1CCC[NH2+]1 ZINC000422780114 394779289 /nfs/dbraw/zinc/77/92/89/394779289.db2.gz GWGVCPYNMSRPOU-HOTGVXAUSA-N 2 1 267.461 2.229 20 0 CEADMP CCOC(=O)N(C)C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000120494315 394779555 /nfs/dbraw/zinc/77/95/55/394779555.db2.gz SDZJCXOAQIEZPE-CQSZACIVSA-N 2 1 297.443 2.023 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)CCO1 ZINC000414870813 394779588 /nfs/dbraw/zinc/77/95/88/394779588.db2.gz CVXUTNXADHPLDA-IRXDYDNUSA-N 2 1 291.439 2.355 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1C[NH2+]C1 ZINC000422840189 394823707 /nfs/dbraw/zinc/82/37/07/394823707.db2.gz SFWXWJKBUJQZQJ-RLFYNMQTSA-N 2 1 287.451 2.237 20 0 CEADMP c1[nH]nc2cc(C[NH2+]CCC[NH2+]Cc3cccnc3)ccc12 ZINC000414871873 394781125 /nfs/dbraw/zinc/78/11/25/394781125.db2.gz FCUGBDWJCMEQJU-UHFFFAOYSA-N 2 1 295.390 2.227 20 0 CEADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414873478 394781604 /nfs/dbraw/zinc/78/16/04/394781604.db2.gz XRIMBCXIPRECEB-HUUCEWRRSA-N 2 1 292.423 2.367 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]Cc1c(F)cccc1Br ZINC000414878196 394783943 /nfs/dbraw/zinc/78/39/43/394783943.db2.gz OCISZSFDMGPFAE-MRVPVSSYSA-N 2 1 275.165 2.273 20 0 CEADMP CCOc1cc2c(cc1C[NH2+][C@H](C)C1C[NH2+]C1)O[C@@H](C)C2 ZINC000422785957 394784035 /nfs/dbraw/zinc/78/40/35/394784035.db2.gz PVLFCJOZBFHQDC-NWDGAFQWSA-N 2 1 290.407 2.106 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000414879490 394784616 /nfs/dbraw/zinc/78/46/16/394784616.db2.gz POVDTCUCOCHCIS-QMMMGPOBSA-N 2 1 253.346 2.120 20 0 CEADMP c1cncc(C[NH2+]CCC[NH2+]C2CCSCC2)c1 ZINC000414880607 394785589 /nfs/dbraw/zinc/78/55/89/394785589.db2.gz QNXMHEFEWKWVLH-UHFFFAOYSA-N 2 1 265.426 2.047 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000360093878 394789094 /nfs/dbraw/zinc/78/90/94/394789094.db2.gz WFEWVHCTVCCWJC-QKPAOTATSA-N 2 1 298.496 2.361 20 0 CEADMP COc1ccc(C)cc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422790862 394789660 /nfs/dbraw/zinc/78/96/60/394789660.db2.gz UKJZEODRKVSIGU-ZFWWWQNUSA-N 2 1 262.397 2.276 20 0 CEADMP CCC(CC)c1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])on1 ZINC000422792223 394790681 /nfs/dbraw/zinc/79/06/81/394790681.db2.gz VUAJKLREWMJIQV-BYCMXARLSA-N 2 1 295.427 2.420 20 0 CEADMP C[C@@H](CC[NH3+])[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000414893185 394792736 /nfs/dbraw/zinc/79/27/36/394792736.db2.gz YBRLXNVICRSEDO-VIFPVBQESA-N 2 1 266.776 2.054 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]([NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000414895591 394793914 /nfs/dbraw/zinc/79/39/14/394793914.db2.gz YAIZFUXDNHEHBA-OLMNPRSZSA-N 2 1 287.451 2.366 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1ccc(Oc2cnccn2)cc1)C1CC1 ZINC000414897817 394794977 /nfs/dbraw/zinc/79/49/77/394794977.db2.gz SAGZVPMQTNXDPT-HNNXBMFYSA-N 2 1 284.363 2.096 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414957743 394824902 /nfs/dbraw/zinc/82/49/02/394824902.db2.gz OLASUUGHXOZAMW-CYBMUJFWSA-N 2 1 262.397 2.142 20 0 CEADMP Fc1cc(F)cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422808010 394801059 /nfs/dbraw/zinc/80/10/59/394801059.db2.gz PRFRAVGSVYJNFG-BZUAXINKSA-N 2 1 296.361 2.212 20 0 CEADMP C[C@]1(C[NH2+]Cc2cc(F)ccc2F)CCC[NH2+]C1 ZINC000414914175 394801757 /nfs/dbraw/zinc/80/17/57/394801757.db2.gz XJOYRVHIDOAZGD-AWEZNQCLSA-N 2 1 254.324 2.444 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000422808466 394802106 /nfs/dbraw/zinc/80/21/06/394802106.db2.gz QLBIYFSPSYEPJM-GDBMZVCRSA-N 2 1 273.424 2.027 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422812715 394804966 /nfs/dbraw/zinc/80/49/66/394804966.db2.gz WUABWLNEDLQZPQ-HTQZYQBOSA-N 2 1 279.331 2.174 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000414921880 394805034 /nfs/dbraw/zinc/80/50/34/394805034.db2.gz FDZZCDLMOSRILS-DZGCQCFKSA-N 2 1 295.471 2.001 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000422813176 394805063 /nfs/dbraw/zinc/80/50/63/394805063.db2.gz XQOZWINQZFHXMZ-WMZOPIPTSA-N 2 1 287.451 2.152 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000422813176 394805068 /nfs/dbraw/zinc/80/50/68/394805068.db2.gz XQOZWINQZFHXMZ-WMZOPIPTSA-N 2 1 287.451 2.152 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)n[nH]2)CC[NH2+]1 ZINC000414939870 394813111 /nfs/dbraw/zinc/81/31/11/394813111.db2.gz BGVHJXRBXISTBX-OCCSQVGLSA-N 2 1 270.380 2.307 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000422825716 394813875 /nfs/dbraw/zinc/81/38/75/394813875.db2.gz AVIKGXZSLIULQX-HLLBOEOZSA-N 2 1 273.424 2.101 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414945214 394815356 /nfs/dbraw/zinc/81/53/56/394815356.db2.gz IBOMSTIHUWUQDY-LSDHHAIUSA-N 2 1 284.407 2.411 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2OCCCO3)CC[NH2+]1 ZINC000414947430 394818204 /nfs/dbraw/zinc/81/82/04/394818204.db2.gz KVADUEWCLCCCPU-TZMCWYRMSA-N 2 1 276.380 2.078 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422833862 394819203 /nfs/dbraw/zinc/81/92/03/394819203.db2.gz HBVBHHFPZZMJLI-BBRMVZONSA-N 3 1 265.445 2.110 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cnc(-c3ccccn3)s2)CC[NH2+]1 ZINC000414949440 394819370 /nfs/dbraw/zinc/81/93/70/394819370.db2.gz NLCLDAAEGPRQSU-NWDGAFQWSA-N 2 1 288.420 2.435 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccccn3)s2)CC[NH2+]1 ZINC000414949443 394819527 /nfs/dbraw/zinc/81/95/27/394819527.db2.gz NLCLDAAEGPRQSU-RYUDHWBXSA-N 2 1 288.420 2.435 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422738465 394749870 /nfs/dbraw/zinc/74/98/70/394749870.db2.gz YVLIHFMSXAAFTH-OAGGEKHMSA-N 2 1 267.461 2.371 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000359375412 394750057 /nfs/dbraw/zinc/75/00/57/394750057.db2.gz ZXXLVMWKYCEAQR-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C(=O)N1c1ccccc1 ZINC000422924260 394863605 /nfs/dbraw/zinc/86/36/05/394863605.db2.gz UAUATCNPDOICFL-YPIDSRPYSA-N 2 1 299.418 2.053 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000423028351 394884833 /nfs/dbraw/zinc/88/48/33/394884833.db2.gz GEEHBKBSJQTTMO-DOMZBBRYSA-N 2 1 265.376 2.215 20 0 CEADMP CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000415053724 394866264 /nfs/dbraw/zinc/86/62/64/394866264.db2.gz PARPVKARQXZRPX-GDBMZVCRSA-N 2 1 289.423 2.444 20 0 CEADMP CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000415053724 394866267 /nfs/dbraw/zinc/86/62/67/394866267.db2.gz PARPVKARQXZRPX-GDBMZVCRSA-N 2 1 289.423 2.444 20 0 CEADMP C[N@@H+](Cc1cc(-c2ccccc2)cs1)C[C@H](O)C[NH3+] ZINC000415054272 394866393 /nfs/dbraw/zinc/86/63/93/394866393.db2.gz LKAAVIBUJQSEAK-CQSZACIVSA-N 2 1 276.405 2.167 20 0 CEADMP C[N@H+](Cc1cc(-c2ccccc2)cs1)C[C@H](O)C[NH3+] ZINC000415054272 394866400 /nfs/dbraw/zinc/86/64/00/394866400.db2.gz LKAAVIBUJQSEAK-CQSZACIVSA-N 2 1 276.405 2.167 20 0 CEADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)CC2 ZINC000422945386 394867439 /nfs/dbraw/zinc/86/74/39/394867439.db2.gz UJXUCYVCJGWQFH-CFVMTHIKSA-N 2 1 276.428 2.051 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423027621 394885108 /nfs/dbraw/zinc/88/51/08/394885108.db2.gz DSIPDDXLSRMEKZ-ZACQAIPSSA-N 2 1 276.424 2.100 20 0 CEADMP Cc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)ccc1-n1cncn1 ZINC000415062733 394871098 /nfs/dbraw/zinc/87/10/98/394871098.db2.gz FWYFKKVARJEVFP-MRXNPFEDSA-N 2 1 299.422 2.183 20 0 CEADMP CCC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336788037 394872326 /nfs/dbraw/zinc/87/23/26/394872326.db2.gz GHNUUHZUACCKKS-LSDHHAIUSA-N 2 1 254.418 2.096 20 0 CEADMP CCC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000336788037 394872329 /nfs/dbraw/zinc/87/23/29/394872329.db2.gz GHNUUHZUACCKKS-LSDHHAIUSA-N 2 1 254.418 2.096 20 0 CEADMP CCC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336788037 394872332 /nfs/dbraw/zinc/87/23/32/394872332.db2.gz GHNUUHZUACCKKS-LSDHHAIUSA-N 2 1 254.418 2.096 20 0 CEADMP CCC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336788037 394872334 /nfs/dbraw/zinc/87/23/34/394872334.db2.gz GHNUUHZUACCKKS-LSDHHAIUSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1c[nH+]ccc1N ZINC000422989936 394875022 /nfs/dbraw/zinc/87/50/22/394875022.db2.gz MQCLYWCVSRAFNO-XEZPLFJOSA-N 2 1 277.412 2.476 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000336803359 394875627 /nfs/dbraw/zinc/87/56/27/394875627.db2.gz YDONIYKVOQLBGG-AWEZNQCLSA-N 2 1 262.401 2.073 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422992131 394876263 /nfs/dbraw/zinc/87/62/63/394876263.db2.gz BYSWQJLQRFAFJQ-OAGGEKHMSA-N 3 1 267.461 2.214 20 0 CEADMP CSCC[C@H](CO)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422992572 394876464 /nfs/dbraw/zinc/87/64/64/394876464.db2.gz RKNCQNSEPUJNFT-XHSDSOJGSA-N 2 1 294.464 2.183 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1OC ZINC000415077514 394877950 /nfs/dbraw/zinc/87/79/50/394877950.db2.gz UCDCMDDEUFGGDM-DZGCQCFKSA-N 2 1 292.423 2.367 20 0 CEADMP CC(C)C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000129979421 394878467 /nfs/dbraw/zinc/87/84/67/394878467.db2.gz BSDWSTINTKHLTM-QLFBSQMISA-N 2 1 255.450 2.035 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000414964293 394828499 /nfs/dbraw/zinc/82/84/99/394828499.db2.gz USPSRHBRZOQDLE-MFKMUULPSA-N 2 1 296.798 2.199 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000414971422 394831654 /nfs/dbraw/zinc/83/16/54/394831654.db2.gz LEMPBIZQWMSIEW-AWEZNQCLSA-N 2 1 264.417 2.250 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)N(C)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422854830 394832040 /nfs/dbraw/zinc/83/20/40/394832040.db2.gz DEIDGJWUATWRAI-SQWLQELKSA-N 2 1 261.413 2.241 20 0 CEADMP CC[C@H]([NH3+])CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000414974075 394832436 /nfs/dbraw/zinc/83/24/36/394832436.db2.gz CXTGNCJECKVTMB-XMTFNYHQSA-N 3 1 287.451 2.224 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422858505 394833624 /nfs/dbraw/zinc/83/36/24/394833624.db2.gz IVHXNXQODKLNQH-AWEZNQCLSA-N 3 1 275.440 2.224 20 0 CEADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)C1C[NH2+]C1 ZINC000422858505 394833628 /nfs/dbraw/zinc/83/36/28/394833628.db2.gz IVHXNXQODKLNQH-AWEZNQCLSA-N 2 1 275.440 2.224 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)C1C[NH2+]C1 ZINC000422858505 394833630 /nfs/dbraw/zinc/83/36/30/394833630.db2.gz IVHXNXQODKLNQH-AWEZNQCLSA-N 2 1 275.440 2.224 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361612200 394834269 /nfs/dbraw/zinc/83/42/69/394834269.db2.gz UBJRTPUUWIXOQR-WBVHZDCISA-N 2 1 296.455 2.131 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361612200 394834270 /nfs/dbraw/zinc/83/42/70/394834270.db2.gz UBJRTPUUWIXOQR-WBVHZDCISA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361612200 394834272 /nfs/dbraw/zinc/83/42/72/394834272.db2.gz UBJRTPUUWIXOQR-WBVHZDCISA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361612200 394834275 /nfs/dbraw/zinc/83/42/75/394834275.db2.gz UBJRTPUUWIXOQR-WBVHZDCISA-N 2 1 296.455 2.131 20 0 CEADMP C[C@H](C[NH2+]C[C@H]1C[NH2+]CCN1C)CC1CCCCC1 ZINC000414979638 394834588 /nfs/dbraw/zinc/83/45/88/394834588.db2.gz UWIVXFXAFQEEEF-GOEBONIOSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@H+]1CCCC[C@@H]1C ZINC000422862331 394835831 /nfs/dbraw/zinc/83/58/31/394835831.db2.gz NNTNPIIBIHTXRV-YHUYYLMFSA-N 2 1 267.461 2.370 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000422866649 394838076 /nfs/dbraw/zinc/83/80/76/394838076.db2.gz QPAJHGOHHDJBSQ-KLHDSHLOSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)N1CCC[C@@H](C)C1 ZINC000422866649 394838080 /nfs/dbraw/zinc/83/80/80/394838080.db2.gz QPAJHGOHHDJBSQ-KLHDSHLOSA-N 2 1 267.461 2.085 20 0 CEADMP CC[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414996911 394841142 /nfs/dbraw/zinc/84/11/42/394841142.db2.gz YLHJOUPHSDLCBP-HYVNUMGLSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H](O)C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422873009 394841861 /nfs/dbraw/zinc/84/18/61/394841861.db2.gz JLYVAWQMSZPTMY-OTRWWLKZSA-N 2 1 276.424 2.271 20 0 CEADMP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422874069 394841880 /nfs/dbraw/zinc/84/18/80/394841880.db2.gz CCGJYIBQLIESAJ-CABCVRRESA-N 2 1 275.396 2.395 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422876785 394844514 /nfs/dbraw/zinc/84/45/14/394844514.db2.gz GOWFXVFRDZFMPH-AICCOOGYSA-N 2 1 255.450 2.068 20 0 CEADMP C[C@@H](N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422877627 394844690 /nfs/dbraw/zinc/84/46/90/394844690.db2.gz IJNQPYNPUPKDOD-NPJQDHAYSA-N 2 1 267.461 2.083 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882049 394847068 /nfs/dbraw/zinc/84/70/68/394847068.db2.gz OVMYPAAQAQMVQE-XGUBFFRZSA-N 2 1 255.450 2.070 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882049 394847069 /nfs/dbraw/zinc/84/70/69/394847069.db2.gz OVMYPAAQAQMVQE-XGUBFFRZSA-N 3 1 255.450 2.070 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882049 394847071 /nfs/dbraw/zinc/84/70/71/394847071.db2.gz OVMYPAAQAQMVQE-XGUBFFRZSA-N 3 1 255.450 2.070 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422880098 394847257 /nfs/dbraw/zinc/84/72/57/394847257.db2.gz LPZWCKDHCORDRT-CABCVRRESA-N 3 1 255.450 2.358 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000126782690 394848932 /nfs/dbraw/zinc/84/89/32/394848932.db2.gz XXDMSZRCSYLMKM-ZBFHGGJFSA-N 2 1 295.471 2.145 20 0 CEADMP CCCCC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362262079 394850922 /nfs/dbraw/zinc/85/09/22/394850922.db2.gz RFNSJGIPPDSAQE-INIZCTEOSA-N 2 1 267.461 2.277 20 0 CEADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CCC[C@H]2[NH3+])n1 ZINC000422888123 394851114 /nfs/dbraw/zinc/85/11/14/394851114.db2.gz MDKLGHHDIQABQE-CVEARBPZSA-N 2 1 284.407 2.459 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422888061 394851395 /nfs/dbraw/zinc/85/13/95/394851395.db2.gz ZYMOYJXCOXNJPJ-XHSDSOJGSA-N 3 1 269.477 2.462 20 0 CEADMP COCCOc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422894466 394854152 /nfs/dbraw/zinc/85/41/52/394854152.db2.gz CHRUEIGOCFJYFE-IAGOWNOFSA-N 2 1 292.423 2.461 20 0 CEADMP CC[C@@H]([NH2+]CCc1nc(C)c(C)s1)[C@@H]1CCC[NH2+]1 ZINC000422897007 394855144 /nfs/dbraw/zinc/85/51/44/394855144.db2.gz ZEXVGSKGNDMPRG-OLZOCXBDSA-N 2 1 267.442 2.423 20 0 CEADMP CCSc1cccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000415031715 394856026 /nfs/dbraw/zinc/85/60/26/394856026.db2.gz FBZXSZRRHKFMFQ-CQSZACIVSA-N 2 1 280.437 2.267 20 0 CEADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C[C@H]([NH3+])CC(C)C)cn1 ZINC000415101206 394890243 /nfs/dbraw/zinc/89/02/43/394890243.db2.gz HGBXGUZIFMDMAA-OWCLPIDISA-N 2 1 294.443 2.086 20 0 CEADMP COC(=O)C(C)(C)C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415104786 394891637 /nfs/dbraw/zinc/89/16/37/394891637.db2.gz LFRSNDOHEQFNCQ-GJZGRUSLSA-N 2 1 290.407 2.269 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)CCCO1 ZINC000415105994 394892475 /nfs/dbraw/zinc/89/24/75/394892475.db2.gz IYJNHTXPFREBIR-QGZVFWFLSA-N 2 1 297.402 2.298 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CCCO1 ZINC000415105994 394892478 /nfs/dbraw/zinc/89/24/78/394892478.db2.gz IYJNHTXPFREBIR-QGZVFWFLSA-N 2 1 297.402 2.298 20 0 CEADMP C[C@H]1C[C@@H](NCC[NH+](C)C2CCCC2)C[N@H+]1C1CC1 ZINC000130694602 394893031 /nfs/dbraw/zinc/89/30/31/394893031.db2.gz LRMBWURQMJHHOF-UONOGXRCSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]1C[C@@H](NCC[N@H+](C)C2CCCC2)C[NH+]1C1CC1 ZINC000130694602 394893035 /nfs/dbraw/zinc/89/30/35/394893035.db2.gz LRMBWURQMJHHOF-UONOGXRCSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]1C[C@@H](NCC[N@@H+](C)C2CCCC2)C[NH+]1C1CC1 ZINC000130694602 394893038 /nfs/dbraw/zinc/89/30/38/394893038.db2.gz LRMBWURQMJHHOF-UONOGXRCSA-N 2 1 265.445 2.076 20 0 CEADMP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)CO2 ZINC000423570721 394953342 /nfs/dbraw/zinc/95/33/42/394953342.db2.gz XAKWVCUKECUWCO-GJZGRUSLSA-N 2 1 260.381 2.112 20 0 CEADMP CC(C)[C@H](C[N@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000415114617 394894750 /nfs/dbraw/zinc/89/47/50/394894750.db2.gz WDYXWJKCYXERMG-IRXDYDNUSA-N 2 1 276.424 2.476 20 0 CEADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)nn1 ZINC000415120502 394896347 /nfs/dbraw/zinc/89/63/47/394896347.db2.gz GDTAJXYOSNZZIA-AUNFYEFLSA-N 2 1 297.406 2.087 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C)n1 ZINC000415133767 394901581 /nfs/dbraw/zinc/90/15/81/394901581.db2.gz VMGBLARKXYAVNE-RISCZKNCSA-N 2 1 277.412 2.124 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccn2)c2cccnc2)CC[NH2+]1 ZINC000423368196 394903538 /nfs/dbraw/zinc/90/35/38/394903538.db2.gz DURSOJGDFABARY-ZTFGCOKTSA-N 2 1 296.418 2.491 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000423376423 394906913 /nfs/dbraw/zinc/90/69/13/394906913.db2.gz JFJLNBGKTNCPQR-JBLDHEPKSA-N 2 1 282.409 2.326 20 0 CEADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c(F)c1 ZINC000423408149 394916056 /nfs/dbraw/zinc/91/60/56/394916056.db2.gz XDCKEEFSRBEPPD-PGUXBMHVSA-N 2 1 266.360 2.483 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423457875 394925517 /nfs/dbraw/zinc/92/55/17/394925517.db2.gz GGYPRDDYCCFSON-HIFRSBDPSA-N 3 1 279.428 2.015 20 0 CEADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]([NH3+])CC)CCC2 ZINC000423460050 394926541 /nfs/dbraw/zinc/92/65/41/394926541.db2.gz IMLHLBMHYUUYNJ-ZJUUUORDSA-N 2 1 253.415 2.410 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000423484761 394931379 /nfs/dbraw/zinc/93/13/79/394931379.db2.gz YWWXBXJTWQXHNG-GXTWGEPZSA-N 2 1 250.411 2.344 20 0 CEADMP N[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423487365 394932514 /nfs/dbraw/zinc/93/25/14/394932514.db2.gz UGJKULLERSJYCB-APHBMKBZSA-N 2 1 259.397 2.253 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)CO2 ZINC000423502062 394937001 /nfs/dbraw/zinc/93/70/01/394937001.db2.gz LSVAFHXVZUCYLS-ZBFHGGJFSA-N 2 1 290.407 2.106 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C12CCC2 ZINC000423503045 394937965 /nfs/dbraw/zinc/93/79/65/394937965.db2.gz MIKCWPBEJMXJMP-SOUVJXGZSA-N 2 1 266.429 2.441 20 0 CEADMP CC(C)C1CC([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000423510260 394942028 /nfs/dbraw/zinc/94/20/28/394942028.db2.gz NGHFYIFWLKHXLQ-UHFFFAOYSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C(C)(C)C ZINC000423521111 394942495 /nfs/dbraw/zinc/94/24/95/394942495.db2.gz SEJFCTBKYHGQDI-WLYUNCDWSA-N 2 1 267.461 2.227 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCn2ccnc2)C[C@H]1c1ccccc1 ZINC000340182233 394980595 /nfs/dbraw/zinc/98/05/95/394980595.db2.gz XNTDXYJLEFIWEK-IRXDYDNUSA-N 2 1 284.407 2.308 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCn2ccnc2)C[C@H]1c1ccccc1 ZINC000340182233 394980599 /nfs/dbraw/zinc/98/05/99/394980599.db2.gz XNTDXYJLEFIWEK-IRXDYDNUSA-N 2 1 284.407 2.308 20 0 CEADMP COC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)OC ZINC000340350558 394984219 /nfs/dbraw/zinc/98/42/19/394984219.db2.gz OJRITGLWLREFIH-IXDOHACOSA-N 2 1 292.423 2.073 20 0 CEADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)OC ZINC000340350558 394984222 /nfs/dbraw/zinc/98/42/22/394984222.db2.gz OJRITGLWLREFIH-IXDOHACOSA-N 2 1 292.423 2.073 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cn[nH]c2)C[C@@H]1c1ccccc1 ZINC000340397790 394984895 /nfs/dbraw/zinc/98/48/95/394984895.db2.gz VTKYEUVGPKHLAX-IAGOWNOFSA-N 2 1 284.407 2.377 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cn[nH]c2)C[C@@H]1c1ccccc1 ZINC000340397790 394984897 /nfs/dbraw/zinc/98/48/97/394984897.db2.gz VTKYEUVGPKHLAX-IAGOWNOFSA-N 2 1 284.407 2.377 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CCCCO)C[C@H]1c1ccccc1 ZINC000340371405 394985324 /nfs/dbraw/zinc/98/53/24/394985324.db2.gz LGCOVHMTKSTYHI-CVEARBPZSA-N 2 1 262.397 2.184 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCCCO)C[C@H]1c1ccccc1 ZINC000340371405 394985326 /nfs/dbraw/zinc/98/53/26/394985326.db2.gz LGCOVHMTKSTYHI-CVEARBPZSA-N 2 1 262.397 2.184 20 0 CEADMP C([C@@H]1CC[N@H+](C[C@@H]2CCSC2)C1)[NH+]1CCCC1 ZINC000370535329 395009214 /nfs/dbraw/zinc/00/92/14/395009214.db2.gz JRYQPKOJESTHCO-KBPBESRZSA-N 2 1 254.443 2.157 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000153786922 395018630 /nfs/dbraw/zinc/01/86/30/395018630.db2.gz YSSZSULVVMUOQR-AWEZNQCLSA-N 2 1 282.432 2.083 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000153786922 395018634 /nfs/dbraw/zinc/01/86/34/395018634.db2.gz YSSZSULVVMUOQR-AWEZNQCLSA-N 2 1 282.432 2.083 20 0 CEADMP Cc1cc(C)n2c(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cnc2n1 ZINC000370896197 395021455 /nfs/dbraw/zinc/02/14/55/395021455.db2.gz XKBWVYYCQZSNOK-LSDHHAIUSA-N 2 1 299.422 2.063 20 0 CEADMP Cc1cc(C)n2c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cnc2n1 ZINC000370896197 395021459 /nfs/dbraw/zinc/02/14/59/395021459.db2.gz XKBWVYYCQZSNOK-LSDHHAIUSA-N 2 1 299.422 2.063 20 0 CEADMP Cc1cc(C)n2c(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cnc2n1 ZINC000370896197 395021462 /nfs/dbraw/zinc/02/14/62/395021462.db2.gz XKBWVYYCQZSNOK-LSDHHAIUSA-N 2 1 299.422 2.063 20 0 CEADMP CC(C)OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134875462 394959692 /nfs/dbraw/zinc/95/96/92/394959692.db2.gz KSLBAXQYRXWZIF-GDBMZVCRSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134875462 394959697 /nfs/dbraw/zinc/95/96/97/394959697.db2.gz KSLBAXQYRXWZIF-GDBMZVCRSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134875462 394959702 /nfs/dbraw/zinc/95/97/02/394959702.db2.gz KSLBAXQYRXWZIF-GDBMZVCRSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)[C@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCCO1 ZINC000339824310 394971838 /nfs/dbraw/zinc/97/18/38/394971838.db2.gz COBWBKITXBDOCU-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340168194 394979222 /nfs/dbraw/zinc/97/92/22/394979222.db2.gz QZMPPJICHYCJIY-SJORKVTESA-N 2 1 275.440 2.363 20 0 CEADMP Cc1noc(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158503420 395046860 /nfs/dbraw/zinc/04/68/60/395046860.db2.gz DKUKRTOOYCFPFC-HIFRSBDPSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1noc(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158503420 395046863 /nfs/dbraw/zinc/04/68/63/395046863.db2.gz DKUKRTOOYCFPFC-HIFRSBDPSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158503420 395046865 /nfs/dbraw/zinc/04/68/65/395046865.db2.gz DKUKRTOOYCFPFC-HIFRSBDPSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158503420 395046870 /nfs/dbraw/zinc/04/68/70/395046870.db2.gz DKUKRTOOYCFPFC-HIFRSBDPSA-N 2 1 263.385 2.208 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1C[NH+](CC)C[C@H]1C ZINC000343988900 395048110 /nfs/dbraw/zinc/04/81/10/395048110.db2.gz OWLNIEGMHLHXAB-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000343988900 395048112 /nfs/dbraw/zinc/04/81/12/395048112.db2.gz OWLNIEGMHLHXAB-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000343988900 395048118 /nfs/dbraw/zinc/04/81/18/395048118.db2.gz OWLNIEGMHLHXAB-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCO2)[C@@H](C)C1 ZINC000346554601 395100826 /nfs/dbraw/zinc/10/08/26/395100826.db2.gz IUDQLSVSSDRNGL-VVLHAWIVSA-N 2 1 298.471 2.281 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)(C)COC)[C@H](C)C1 ZINC000426417178 395074600 /nfs/dbraw/zinc/07/46/00/395074600.db2.gz PUBARHREQVUKSY-ZIAGYGMSSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)(C)COC)[C@H](C)C1 ZINC000426417178 395074604 /nfs/dbraw/zinc/07/46/04/395074604.db2.gz PUBARHREQVUKSY-ZIAGYGMSSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)(C)COC)[C@H](C)C1 ZINC000426417178 395074608 /nfs/dbraw/zinc/07/46/08/395074608.db2.gz PUBARHREQVUKSY-ZIAGYGMSSA-N 2 1 256.434 2.321 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000289791543 395087570 /nfs/dbraw/zinc/08/75/70/395087570.db2.gz NGNZEWYKBCOUOU-VDHUWJSZSA-N 2 1 288.435 2.225 20 0 CEADMP FC(F)Oc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427136733 395093902 /nfs/dbraw/zinc/09/39/02/395093902.db2.gz OWOLQQAJDDWKQW-GXTWGEPZSA-N 2 1 282.334 2.472 20 0 CEADMP FC(F)Oc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427136733 395093903 /nfs/dbraw/zinc/09/39/03/395093903.db2.gz OWOLQQAJDDWKQW-GXTWGEPZSA-N 2 1 282.334 2.472 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COc3ccc(F)cc3C2)CC[N@@H+]1C ZINC000290322836 395099661 /nfs/dbraw/zinc/09/96/61/395099661.db2.gz OKKPJKGKUYIVNN-DFBGVHRSSA-N 2 1 278.371 2.202 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2COc3ccc(F)cc3C2)CC[N@H+]1C ZINC000290322836 395099666 /nfs/dbraw/zinc/09/96/66/395099666.db2.gz OKKPJKGKUYIVNN-DFBGVHRSSA-N 2 1 278.371 2.202 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000436418017 395115085 /nfs/dbraw/zinc/11/50/85/395115085.db2.gz VGRSNRJHEBPQBA-UHFFFAOYSA-N 2 1 288.420 2.490 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCC[C@H]1C ZINC000427495874 395117089 /nfs/dbraw/zinc/11/70/89/395117089.db2.gz QRCIWMDJQGYCLK-HUUCEWRRSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000427495874 395117094 /nfs/dbraw/zinc/11/70/94/395117094.db2.gz QRCIWMDJQGYCLK-HUUCEWRRSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000427495874 395117099 /nfs/dbraw/zinc/11/70/99/395117099.db2.gz QRCIWMDJQGYCLK-HUUCEWRRSA-N 2 1 283.460 2.096 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000436309850 395108423 /nfs/dbraw/zinc/10/84/23/395108423.db2.gz QBLGXDBELFMKDM-KBXIAJHMSA-N 2 1 282.428 2.038 20 0 CEADMP Fc1cccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428042795 395133994 /nfs/dbraw/zinc/13/39/94/395133994.db2.gz WMFLFPOSWPJIOM-GOEBONIOSA-N 2 1 262.372 2.442 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348519424 395145621 /nfs/dbraw/zinc/14/56/21/395145621.db2.gz CPAXQVIZYMFKIY-GRYCIOLGSA-N 2 1 262.344 2.221 20 0 CEADMP C[C@@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)C[NH+](C)C ZINC000291651852 395151229 /nfs/dbraw/zinc/15/12/29/395151229.db2.gz CVCQNRRGQYNBNL-INIZCTEOSA-N 2 1 289.467 2.438 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H](C)C[NH+](C)C)n1-c1ccccc1 ZINC000291680244 395151274 /nfs/dbraw/zinc/15/12/74/395151274.db2.gz HNVRCALWESOSGF-CQSZACIVSA-N 2 1 286.423 2.468 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000348415635 395143641 /nfs/dbraw/zinc/14/36/41/395143641.db2.gz QSUJECVQVHUEFH-DVOMOZLQSA-N 2 1 296.842 2.346 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H](OC)c2ccccc2)CC[C@@H]1[NH3+] ZINC000379242467 395161781 /nfs/dbraw/zinc/16/17/81/395161781.db2.gz XMGVCIGLDZNTDU-KBMXLJTQSA-N 2 1 262.397 2.433 20 0 CEADMP CCn1cncc1CN[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000417868886 395152850 /nfs/dbraw/zinc/15/28/50/395152850.db2.gz GUVXNBZJEILGCJ-ZIAGYGMSSA-N 2 1 264.417 2.113 20 0 CEADMP CCn1cncc1C[NH2+][C@H](C)CN1CCC[C@@H](C)C1 ZINC000417868886 395152852 /nfs/dbraw/zinc/15/28/52/395152852.db2.gz GUVXNBZJEILGCJ-ZIAGYGMSSA-N 2 1 264.417 2.113 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000380391343 395167630 /nfs/dbraw/zinc/16/76/30/395167630.db2.gz YZCGILCCYOBDCY-KRWDZBQOSA-N 2 1 274.408 2.368 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000380972310 395170689 /nfs/dbraw/zinc/17/06/89/395170689.db2.gz BBTPVYZYNKZROH-HYVNUMGLSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000398237602 395231255 /nfs/dbraw/zinc/23/12/55/395231255.db2.gz ZLXWJMJEOGFSQM-KBAYOESNSA-N 2 1 287.451 2.239 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000352052628 395244623 /nfs/dbraw/zinc/24/46/23/395244623.db2.gz MVHNTRBSYTUHJJ-HRCADAONSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000394427575 395205716 /nfs/dbraw/zinc/20/57/16/395205716.db2.gz IDGRBOKFZGYEDI-QAPCUYQASA-N 2 1 298.434 2.348 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000394427575 395205720 /nfs/dbraw/zinc/20/57/20/395205720.db2.gz IDGRBOKFZGYEDI-QAPCUYQASA-N 2 1 298.434 2.348 20 0 CEADMP CO[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000400249286 395251598 /nfs/dbraw/zinc/25/15/98/395251598.db2.gz NGRQFFDAUDNWEW-DKUMPPAJSA-N 2 1 252.402 2.016 20 0 CEADMP Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)nc(C)[nH+]1 ZINC000292837969 395206914 /nfs/dbraw/zinc/20/69/14/395206914.db2.gz QGFMRHPORYJNAV-OAHLLOKOSA-N 2 1 260.385 2.016 20 0 CEADMP Cc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)nc(C)[nH+]1 ZINC000292837969 395206917 /nfs/dbraw/zinc/20/69/17/395206917.db2.gz QGFMRHPORYJNAV-OAHLLOKOSA-N 2 1 260.385 2.016 20 0 CEADMP C[C@@](C[NH3+])([NH2+]CCCOCc1ccccc1)C1CC1 ZINC000420283539 395293858 /nfs/dbraw/zinc/29/38/58/395293858.db2.gz CAFNNWHDVJQJPW-INIZCTEOSA-N 2 1 262.397 2.310 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353520434 395299723 /nfs/dbraw/zinc/29/97/23/395299723.db2.gz OSPMTOICCURIKS-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353520434 395299725 /nfs/dbraw/zinc/29/97/25/395299725.db2.gz OSPMTOICCURIKS-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353520434 395299728 /nfs/dbraw/zinc/29/97/28/395299728.db2.gz OSPMTOICCURIKS-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)C1(C(=O)OC)CCC1 ZINC000353534932 395300056 /nfs/dbraw/zinc/30/00/56/395300056.db2.gz JINWEUNZGMRNIT-AWEZNQCLSA-N 2 1 282.428 2.182 20 0 CEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420295317 395300170 /nfs/dbraw/zinc/30/01/70/395300170.db2.gz CEJNPCZOTMVIQW-LMSBXDPUSA-N 2 1 290.451 2.428 20 0 CEADMP C[C@@H]1CCC[C@@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420295317 395300180 /nfs/dbraw/zinc/30/01/80/395300180.db2.gz CEJNPCZOTMVIQW-LMSBXDPUSA-N 2 1 290.451 2.428 20 0 CEADMP C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420295317 395300186 /nfs/dbraw/zinc/30/01/86/395300186.db2.gz CEJNPCZOTMVIQW-LMSBXDPUSA-N 2 1 290.451 2.428 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353497540 395300681 /nfs/dbraw/zinc/30/06/81/395300681.db2.gz PDBUXILPZJOPEK-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353497540 395300689 /nfs/dbraw/zinc/30/06/89/395300689.db2.gz PDBUXILPZJOPEK-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353497540 395300698 /nfs/dbraw/zinc/30/06/98/395300698.db2.gz PDBUXILPZJOPEK-ZJIFWQFVSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000353547607 395301940 /nfs/dbraw/zinc/30/19/40/395301940.db2.gz YSKMOUHGEWWDTH-CYBMUJFWSA-N 2 1 272.433 2.427 20 0 CEADMP COCC[N@@H+](CC(C)C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420296496 395302377 /nfs/dbraw/zinc/30/23/77/395302377.db2.gz CBBHYDGVYWDYSX-MRXNPFEDSA-N 2 1 294.439 2.342 20 0 CEADMP COc1ccc(OCC[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420298692 395304314 /nfs/dbraw/zinc/30/43/14/395304314.db2.gz FTSPCVNBIXQYKZ-OAHLLOKOSA-N 2 1 292.423 2.396 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000420300898 395306313 /nfs/dbraw/zinc/30/63/13/395306313.db2.gz DFKUWMSZULCXTA-DRZSPHRISA-N 2 1 294.420 2.094 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420302122 395307889 /nfs/dbraw/zinc/30/78/89/395307889.db2.gz WGIKMTYWBOZZAF-NSHDSACASA-N 2 1 286.778 2.399 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420302122 395307894 /nfs/dbraw/zinc/30/78/94/395307894.db2.gz WGIKMTYWBOZZAF-NSHDSACASA-N 2 1 286.778 2.399 20 0 CEADMP CC[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420305351 395309710 /nfs/dbraw/zinc/30/97/10/395309710.db2.gz PMKNXXGDSSJGRR-SZMVWBNQSA-N 2 1 290.451 2.429 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420308630 395312419 /nfs/dbraw/zinc/31/24/19/395312419.db2.gz DBMQYAQZOQZRST-HNNXBMFYSA-N 3 1 267.461 2.182 20 0 CEADMP CCCN1CCC([N@H+](C)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420308630 395312424 /nfs/dbraw/zinc/31/24/24/395312424.db2.gz DBMQYAQZOQZRST-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP CCCN1CCC([N@@H+](C)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420308630 395312433 /nfs/dbraw/zinc/31/24/33/395312433.db2.gz DBMQYAQZOQZRST-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)CCN1CC[NH2+]CC1 ZINC000420308595 395312753 /nfs/dbraw/zinc/31/27/53/395312753.db2.gz SKJBSXBNSPFYIR-GOSISDBHSA-N 2 1 289.467 2.235 20 0 CEADMP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CC[C@H]1c1ccccc1 ZINC000420312780 395316148 /nfs/dbraw/zinc/31/61/48/395316148.db2.gz XGRWEHXOTNJEQM-FUHWJXTLSA-N 2 1 287.451 2.017 20 0 CEADMP Fc1ccc([C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1F ZINC000420312836 395316600 /nfs/dbraw/zinc/31/66/00/395316600.db2.gz XJDMGYRXSKUWPS-MLGOLLRUSA-N 2 1 296.361 2.338 20 0 CEADMP Fc1ccc([C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1F ZINC000420312836 395316604 /nfs/dbraw/zinc/31/66/04/395316604.db2.gz XJDMGYRXSKUWPS-MLGOLLRUSA-N 2 1 296.361 2.338 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000420319706 395321296 /nfs/dbraw/zinc/32/12/96/395321296.db2.gz RYZDKTWXEWRRDQ-MRXNPFEDSA-N 2 1 262.397 2.299 20 0 CEADMP C[NH+](C)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000521928318 395257397 /nfs/dbraw/zinc/25/73/97/395257397.db2.gz LAWQKPAQMROBRA-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)C[C@@H]1CCCO1 ZINC000420324543 395327681 /nfs/dbraw/zinc/32/76/81/395327681.db2.gz VPTXMNMKFFIVIB-RDJZCZTQSA-N 2 1 292.423 2.238 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(CC(=O)OC)CC2)C[C@@H]1C ZINC000440781771 395356089 /nfs/dbraw/zinc/35/60/89/395356089.db2.gz CALQSHJOSYCQEE-UONOGXRCSA-N 2 1 282.428 2.134 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(CC(=O)OC)CC2)C[C@@H]1C ZINC000440781771 395356093 /nfs/dbraw/zinc/35/60/93/395356093.db2.gz CALQSHJOSYCQEE-UONOGXRCSA-N 2 1 282.428 2.134 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(CC(=O)OC)CC2)C[C@@H]1C ZINC000440781771 395356096 /nfs/dbraw/zinc/35/60/96/395356096.db2.gz CALQSHJOSYCQEE-UONOGXRCSA-N 2 1 282.428 2.134 20 0 CEADMP CSC[C@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000191553607 395361483 /nfs/dbraw/zinc/36/14/83/395361483.db2.gz NJAPZXVZVBUOAY-MRXNPFEDSA-N 2 1 299.528 2.230 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420382532 395366430 /nfs/dbraw/zinc/36/64/30/395366430.db2.gz PXMHJLCMTWPWEW-LSDHHAIUSA-N 2 1 292.423 2.381 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1cccc(F)c1C ZINC000420391182 395367519 /nfs/dbraw/zinc/36/75/19/395367519.db2.gz RSGRYISFVQCLEE-UHFFFAOYSA-N 2 1 281.375 2.004 20 0 CEADMP CC[N@H+](Cc1cncc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435371624 395367560 /nfs/dbraw/zinc/36/75/60/395367560.db2.gz OCMRYKMFBWTCEG-CQSZACIVSA-N 2 1 251.349 2.185 20 0 CEADMP CC[N@@H+](Cc1cncc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435371624 395367564 /nfs/dbraw/zinc/36/75/64/395367564.db2.gz OCMRYKMFBWTCEG-CQSZACIVSA-N 2 1 251.349 2.185 20 0 CEADMP Cc1cccc(C)c1OCCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420397290 395369102 /nfs/dbraw/zinc/36/91/02/395369102.db2.gz XCJRDQGCDBVYMH-MRXNPFEDSA-N 2 1 292.423 2.122 20 0 CEADMP FC(F)(F)COCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420408868 395374672 /nfs/dbraw/zinc/37/46/72/395374672.db2.gz WJHFZNUTLRAXQH-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)COCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420408868 395374675 /nfs/dbraw/zinc/37/46/75/395374675.db2.gz WJHFZNUTLRAXQH-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccnn1C ZINC000192246876 395378682 /nfs/dbraw/zinc/37/86/82/395378682.db2.gz ZKVJNGJOYFESKC-AWEZNQCLSA-N 2 1 264.417 2.193 20 0 CEADMP CC[N@@H+](CCc1scnc1C)[C@H]1CCC[NH2+]CC1 ZINC000435627128 395380166 /nfs/dbraw/zinc/38/01/66/395380166.db2.gz QJOAWURXFGHORF-ZDUSSCGKSA-N 2 1 267.442 2.458 20 0 CEADMP C[C@H]1COCC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000192461717 395383893 /nfs/dbraw/zinc/38/38/93/395383893.db2.gz MWKXZANABBOZQL-YJBOKZPZSA-N 2 1 288.435 2.449 20 0 CEADMP C[C@H]1COCC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000192461717 395383896 /nfs/dbraw/zinc/38/38/96/395383896.db2.gz MWKXZANABBOZQL-YJBOKZPZSA-N 2 1 288.435 2.449 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000435885123 395394742 /nfs/dbraw/zinc/39/47/42/395394742.db2.gz FWZORHDWZWHVSF-LBPRGKRZSA-N 2 1 253.415 2.240 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000435885123 395394745 /nfs/dbraw/zinc/39/47/45/395394745.db2.gz FWZORHDWZWHVSF-LBPRGKRZSA-N 2 1 253.415 2.240 20 0 CEADMP CC(C)n1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420329177 395331235 /nfs/dbraw/zinc/33/12/35/395331235.db2.gz NTZWJWLTQHDCGL-CABCVRRESA-N 2 1 276.428 2.286 20 0 CEADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420352233 395340984 /nfs/dbraw/zinc/34/09/84/395340984.db2.gz LUDDPTAKCOWOJV-LRDDRELGSA-N 2 1 258.365 2.152 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000420352469 395341441 /nfs/dbraw/zinc/34/14/41/395341441.db2.gz AIWMCDUKTCAZTD-OAHLLOKOSA-N 2 1 294.395 2.147 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCOc1ccccc1 ZINC000420353319 395341459 /nfs/dbraw/zinc/34/14/59/395341459.db2.gz BRVUDKLOUGAPFC-CQSZACIVSA-N 2 1 250.386 2.419 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)NCCC1CCCCC1 ZINC000420355891 395342043 /nfs/dbraw/zinc/34/20/43/395342043.db2.gz FMCDBDXNOASMFM-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP C(C[N@H+]1CC[C@H](C2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420357506 395344763 /nfs/dbraw/zinc/34/47/63/395344763.db2.gz HYXXSOBCKDKHCC-HOCLYGCPSA-N 2 1 266.429 2.125 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CC2CCOCC2)cc1 ZINC000420356681 395344988 /nfs/dbraw/zinc/34/49/88/395344988.db2.gz GSHMJVWGQLIXJV-INIZCTEOSA-N 2 1 292.423 2.096 20 0 CEADMP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000420365787 395351423 /nfs/dbraw/zinc/35/14/23/395351423.db2.gz SPIIBRZGGDNREE-KRWDZBQOSA-N 2 1 293.430 2.360 20 0 CEADMP [NH3+]CCOCC[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000420367656 395352959 /nfs/dbraw/zinc/35/29/59/395352959.db2.gz HHVGVXZACLDUEO-UHFFFAOYSA-N 2 1 290.329 2.416 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnoc2C)C[C@H]1C ZINC000445820235 395470766 /nfs/dbraw/zinc/47/07/66/395470766.db2.gz SGJPMABCPWVHMV-BXUZGUMPSA-N 2 1 251.374 2.288 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000444600389 395439742 /nfs/dbraw/zinc/43/97/42/395439742.db2.gz VVQTVKBIUFBMBB-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000444600389 395439743 /nfs/dbraw/zinc/43/97/43/395439743.db2.gz VVQTVKBIUFBMBB-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP Nc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000566245657 395507596 /nfs/dbraw/zinc/50/75/96/395507596.db2.gz OXLUQJPYZWBCKF-HOTGVXAUSA-N 2 1 259.397 2.375 20 0 CEADMP Nc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000566245657 395507598 /nfs/dbraw/zinc/50/75/98/395507598.db2.gz OXLUQJPYZWBCKF-HOTGVXAUSA-N 2 1 259.397 2.375 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)C(C)(C)O ZINC000448547034 395513819 /nfs/dbraw/zinc/51/38/19/395513819.db2.gz QHVZWULONHROBI-GFCCVEGCSA-N 2 1 253.390 2.063 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)C(C)(C)O ZINC000448547034 395513822 /nfs/dbraw/zinc/51/38/22/395513822.db2.gz QHVZWULONHROBI-GFCCVEGCSA-N 2 1 253.390 2.063 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cncnc2C)C1 ZINC000565549835 395476442 /nfs/dbraw/zinc/47/64/42/395476442.db2.gz UQEOKUSPFPJTLE-JSGCOSHPSA-N 2 1 262.401 2.168 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cncnc2C)C1 ZINC000565549835 395476443 /nfs/dbraw/zinc/47/64/43/395476443.db2.gz UQEOKUSPFPJTLE-JSGCOSHPSA-N 2 1 262.401 2.168 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CC(C)(C)C ZINC000565549707 395476493 /nfs/dbraw/zinc/47/64/93/395476493.db2.gz OUXLPJFJMDQCLF-KGLIPLIRSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000565549707 395476495 /nfs/dbraw/zinc/47/64/95/395476495.db2.gz OUXLPJFJMDQCLF-KGLIPLIRSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000565549707 395476497 /nfs/dbraw/zinc/47/64/97/395476497.db2.gz OUXLPJFJMDQCLF-KGLIPLIRSA-N 2 1 256.434 2.200 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCc1cccc2ccccc21 ZINC000565780314 395484205 /nfs/dbraw/zinc/48/42/05/395484205.db2.gz ZKHJXMAPMSWTPV-SFHVURJKSA-N 2 1 286.419 2.285 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000565841567 395486717 /nfs/dbraw/zinc/48/67/17/395486717.db2.gz FGVNLNYGTABOEX-XQQFMLRXSA-N 2 1 296.377 2.352 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000565841567 395486718 /nfs/dbraw/zinc/48/67/18/395486718.db2.gz FGVNLNYGTABOEX-XQQFMLRXSA-N 2 1 296.377 2.352 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000565841567 395486720 /nfs/dbraw/zinc/48/67/20/395486720.db2.gz FGVNLNYGTABOEX-XQQFMLRXSA-N 2 1 296.377 2.352 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000565841567 395486721 /nfs/dbraw/zinc/48/67/21/395486721.db2.gz FGVNLNYGTABOEX-XQQFMLRXSA-N 2 1 296.377 2.352 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000565841567 395486722 /nfs/dbraw/zinc/48/67/22/395486722.db2.gz FGVNLNYGTABOEX-XQQFMLRXSA-N 2 1 296.377 2.352 20 0 CEADMP CC[C@H]1c2ccsc2CCN1C[C@@H](O)C[N@@H+](C)CC ZINC000565988893 395493179 /nfs/dbraw/zinc/49/31/79/395493179.db2.gz LFXJGIBMIJYJRZ-JSGCOSHPSA-N 2 1 282.453 2.370 20 0 CEADMP CC1(C)CCC[N@@H+](CCN[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000446840072 395500041 /nfs/dbraw/zinc/50/00/41/395500041.db2.gz XBVIXLHHLJKBLM-JKSUJKDBSA-N 2 1 279.472 2.325 20 0 CEADMP CC1(C)CCC[NH+](CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000446840072 395500043 /nfs/dbraw/zinc/50/00/43/395500043.db2.gz XBVIXLHHLJKBLM-JKSUJKDBSA-N 2 1 279.472 2.325 20 0 CEADMP CC1(C)CCC[NH+](CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000446840072 395500044 /nfs/dbraw/zinc/50/00/44/395500044.db2.gz XBVIXLHHLJKBLM-JKSUJKDBSA-N 2 1 279.472 2.325 20 0 CEADMP COC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CCCC1 ZINC000446940069 395502320 /nfs/dbraw/zinc/50/23/20/395502320.db2.gz RJINFUBBIOEEQY-HNNXBMFYSA-N 2 1 252.402 2.043 20 0 CEADMP Fc1ccc(-n2nccc2C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000569000511 395571937 /nfs/dbraw/zinc/57/19/37/395571937.db2.gz KQZSFUGVKQEDJT-UHFFFAOYSA-N 2 1 288.370 2.197 20 0 CEADMP C[NH+](C)CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)C(C)(C)C ZINC000569214141 395574926 /nfs/dbraw/zinc/57/49/26/395574926.db2.gz OBFHGVRAFQBDNY-JQWIXIFHSA-N 2 1 284.366 2.256 20 0 CEADMP COC[C@@]1(C)CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000451184997 395589864 /nfs/dbraw/zinc/58/98/64/395589864.db2.gz BUKAFJDDLKJPJR-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@@]1(C)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000451184997 395589867 /nfs/dbraw/zinc/58/98/67/395589867.db2.gz BUKAFJDDLKJPJR-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP COC[C@@]1(C)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000451184997 395589868 /nfs/dbraw/zinc/58/98/68/395589868.db2.gz BUKAFJDDLKJPJR-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1cccc(F)c1 ZINC000574051188 395625605 /nfs/dbraw/zinc/62/56/05/395625605.db2.gz QYPHPQUXLJSBCA-WCQYABFASA-N 2 1 252.333 2.016 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1cccc(F)c1 ZINC000574051188 395625606 /nfs/dbraw/zinc/62/56/06/395625606.db2.gz QYPHPQUXLJSBCA-WCQYABFASA-N 2 1 252.333 2.016 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000574327385 395628038 /nfs/dbraw/zinc/62/80/38/395628038.db2.gz KSPPFFWFCTUONU-HZPDHXFCSA-N 2 1 295.471 2.289 20 0 CEADMP COc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C)O[C@@H](C)C2 ZINC000574381690 395628892 /nfs/dbraw/zinc/62/88/92/395628892.db2.gz CHSGYCRBLCSKTP-TYNCELHUSA-N 2 1 290.407 2.106 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCC[NH3+])CC1 ZINC000574813671 395637981 /nfs/dbraw/zinc/63/79/81/395637981.db2.gz FKGNWDIZISICCW-HNNXBMFYSA-N 2 1 295.471 2.228 20 0 CEADMP C[C@@H]1C[C@@H](NCc2noc3ccccc32)CC[N@H+]1C ZINC000574890099 395640201 /nfs/dbraw/zinc/64/02/01/395640201.db2.gz NXANAZGIDRTDOR-NEPJUHHUSA-N 2 1 259.353 2.400 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000574925293 395641418 /nfs/dbraw/zinc/64/14/18/395641418.db2.gz WPKASXGFYJSUAH-IAGOWNOFSA-N 2 1 294.414 2.145 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000574925293 395641420 /nfs/dbraw/zinc/64/14/20/395641420.db2.gz WPKASXGFYJSUAH-IAGOWNOFSA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000574925293 395641421 /nfs/dbraw/zinc/64/14/21/395641421.db2.gz WPKASXGFYJSUAH-IAGOWNOFSA-N 2 1 294.414 2.145 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000574925293 395641423 /nfs/dbraw/zinc/64/14/23/395641423.db2.gz WPKASXGFYJSUAH-IAGOWNOFSA-N 2 1 294.414 2.145 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc2cnccc21 ZINC000647508407 395723805 /nfs/dbraw/zinc/72/38/05/395723805.db2.gz MNOHIHONKSMKHA-OLZOCXBDSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC[N@@H+]1C ZINC000647339151 395706037 /nfs/dbraw/zinc/70/60/37/395706037.db2.gz JXKDYQCCDKUHOK-QMCVQRASSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC[N@H+]1C ZINC000647339151 395706040 /nfs/dbraw/zinc/70/60/40/395706040.db2.gz JXKDYQCCDKUHOK-QMCVQRASSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@H]1COCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344081 395706948 /nfs/dbraw/zinc/70/69/48/395706948.db2.gz IPHAYRVHMLXVMT-XOYOTBSWSA-N 2 1 288.435 2.346 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000647509893 395724274 /nfs/dbraw/zinc/72/42/74/395724274.db2.gz ORPCXDBVCGFYDJ-GXTWGEPZSA-N 2 1 255.365 2.404 20 0 CEADMP CCc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)s1 ZINC000647498767 395722426 /nfs/dbraw/zinc/72/24/26/395722426.db2.gz QDIOLKQOANOQEY-ZYHUDNBSSA-N 2 1 253.415 2.265 20 0 CEADMP CCc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)s1 ZINC000647498767 395722428 /nfs/dbraw/zinc/72/24/28/395722428.db2.gz QDIOLKQOANOQEY-ZYHUDNBSSA-N 2 1 253.415 2.265 20 0 CEADMP COc1ccc([C@H](CC(C)C)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000647288894 395697997 /nfs/dbraw/zinc/69/79/97/395697997.db2.gz UHNNWZYPHPGSTF-RDJZCZTQSA-N 2 1 294.439 2.295 20 0 CEADMP COc1cc(C)c(C[NH+]2CCC(C)([NH3+])CC2)cc1OC ZINC000647531285 395727239 /nfs/dbraw/zinc/72/72/39/395727239.db2.gz LZOCANIHHAHQLE-UHFFFAOYSA-N 2 1 278.396 2.325 20 0 CEADMP CC1([NH3+])CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000647530788 395727243 /nfs/dbraw/zinc/72/72/43/395727243.db2.gz FRPYPADYXHNCOK-UHFFFAOYSA-N 2 1 276.409 2.451 20 0 CEADMP C[C@H]1CN(c2ccccc2F)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000647538129 395729473 /nfs/dbraw/zinc/72/94/73/395729473.db2.gz GTJWEJYWEHAQNR-AWEZNQCLSA-N 2 1 291.414 2.336 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC[NH2+]C1 ZINC000647538402 395729672 /nfs/dbraw/zinc/72/96/72/395729672.db2.gz QEXJCAKZZHQBPI-CVEARBPZSA-N 2 1 278.371 2.278 20 0 CEADMP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])nc1 ZINC000647541388 395730455 /nfs/dbraw/zinc/73/04/55/395730455.db2.gz ISKSCGJPAXLKPF-CQSZACIVSA-N 2 1 263.385 2.184 20 0 CEADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])nc1 ZINC000647541388 395730456 /nfs/dbraw/zinc/73/04/56/395730456.db2.gz ISKSCGJPAXLKPF-CQSZACIVSA-N 2 1 263.385 2.184 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647542700 395730838 /nfs/dbraw/zinc/73/08/38/395730838.db2.gz ACUHYQOICROOCH-LSDHHAIUSA-N 2 1 289.423 2.307 20 0 CEADMP C(c1nc2c(s1)CCC2)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647544527 395731527 /nfs/dbraw/zinc/73/15/27/395731527.db2.gz KZXBVZPNUUWZCH-TXEJJXNPSA-N 2 1 277.437 2.063 20 0 CEADMP COc1cc(CC[NH2+][C@H]2C[NH2+]C[C@H](C)C2)ccc1C ZINC000647550178 395733549 /nfs/dbraw/zinc/73/35/49/395733549.db2.gz DPRBFDUJMHSOMG-IUODEOHRSA-N 2 1 262.397 2.134 20 0 CEADMP C[N@H+](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000647784076 395754111 /nfs/dbraw/zinc/75/41/11/395754111.db2.gz HGCSCCNECVZNOX-HRCADAONSA-N 3 1 279.472 2.229 20 0 CEADMP C[N@@H+](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000647784076 395754112 /nfs/dbraw/zinc/75/41/12/395754112.db2.gz HGCSCCNECVZNOX-HRCADAONSA-N 3 1 279.472 2.229 20 0 CEADMP CC[C@H]1C[N@@H+](CCOCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000647937080 395780376 /nfs/dbraw/zinc/78/03/76/395780376.db2.gz QPUAIGIWOYGGER-DOTOQJQBSA-N 2 1 292.423 2.141 20 0 CEADMP CC[C@H]([NH2+]CCc1cn2c(cccc2C)n1)[C@@H]1CCC[NH2+]1 ZINC000647803950 395758537 /nfs/dbraw/zinc/75/85/37/395758537.db2.gz FGAKSVPUFRNTCZ-HOTGVXAUSA-N 2 1 286.423 2.305 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000647965426 395788867 /nfs/dbraw/zinc/78/88/67/395788867.db2.gz WLBBMKZLRSDWFX-WCVJEAGWSA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000647965426 395788869 /nfs/dbraw/zinc/78/88/69/395788869.db2.gz WLBBMKZLRSDWFX-WCVJEAGWSA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000647965426 395788872 /nfs/dbraw/zinc/78/88/72/395788872.db2.gz WLBBMKZLRSDWFX-WCVJEAGWSA-N 2 1 268.445 2.341 20 0 CEADMP c1csc(C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000647873376 395766887 /nfs/dbraw/zinc/76/68/87/395766887.db2.gz BXAPNATZXQXPBH-ZIAGYGMSSA-N 2 1 280.437 2.339 20 0 CEADMP c1csc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000647873376 395766888 /nfs/dbraw/zinc/76/68/88/395766888.db2.gz BXAPNATZXQXPBH-ZIAGYGMSSA-N 2 1 280.437 2.339 20 0 CEADMP c1ccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]2CCCO2)cc1 ZINC000647881597 395767996 /nfs/dbraw/zinc/76/79/96/395767996.db2.gz QROCVWYTFAUQEL-SJORKVTESA-N 2 1 274.408 2.277 20 0 CEADMP Cc1noc([C@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000647881632 395768329 /nfs/dbraw/zinc/76/83/29/395768329.db2.gz WAEBRLZHXXTHBF-HNNXBMFYSA-N 2 1 292.427 2.337 20 0 CEADMP COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647882925 395768552 /nfs/dbraw/zinc/76/85/52/395768552.db2.gz PIBYUKOCCIPOHB-ZBFHGGJFSA-N 2 1 274.408 2.312 20 0 CEADMP CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647886071 395769372 /nfs/dbraw/zinc/76/93/72/395769372.db2.gz NIZOZFQBAAUTKG-DLBZAZTESA-N 2 1 276.424 2.115 20 0 CEADMP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@H](C(F)(F)F)O1 ZINC000647889505 395769661 /nfs/dbraw/zinc/76/96/61/395769661.db2.gz ZCSQBNHAKNQGGN-DGCLKSJQSA-N 2 1 294.361 2.418 20 0 CEADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H](C(F)(F)F)O1 ZINC000647889505 395769663 /nfs/dbraw/zinc/76/96/63/395769663.db2.gz ZCSQBNHAKNQGGN-DGCLKSJQSA-N 2 1 294.361 2.418 20 0 CEADMP FC(F)(F)CC[N@@H+](CC1CC1)C[C@H]1CC[NH2+]C1 ZINC000647891588 395770007 /nfs/dbraw/zinc/77/00/07/395770007.db2.gz UJBYEIZCNATANA-NSHDSACASA-N 2 1 250.308 2.260 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)[C@H]1CCCCO1 ZINC000647903747 395770860 /nfs/dbraw/zinc/77/08/60/395770860.db2.gz PAUFYQKUXZEOAQ-ARFHVFGLSA-N 2 1 266.429 2.410 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000648147507 395845824 /nfs/dbraw/zinc/84/58/24/395845824.db2.gz IVMGDCXRNKKLOO-ZIAGYGMSSA-N 2 1 292.427 2.045 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000648177000 395854481 /nfs/dbraw/zinc/85/44/81/395854481.db2.gz XEFCDTYNAAUACV-GXTWGEPZSA-N 2 1 292.427 2.030 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000648177002 395854553 /nfs/dbraw/zinc/85/45/53/395854553.db2.gz XEFCDTYNAAUACV-OCCSQVGLSA-N 2 1 292.427 2.030 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000647971021 395791403 /nfs/dbraw/zinc/79/14/03/395791403.db2.gz PMOUTCKFSPZYHK-DLBZAZTESA-N 2 1 276.424 2.428 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000647971021 395791406 /nfs/dbraw/zinc/79/14/06/395791406.db2.gz PMOUTCKFSPZYHK-DLBZAZTESA-N 2 1 276.424 2.428 20 0 CEADMP c1nc([C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000647991623 395797364 /nfs/dbraw/zinc/79/73/64/395797364.db2.gz TWZWFRKZOCGENQ-LSDHHAIUSA-N 2 1 288.439 2.008 20 0 CEADMP CC(C)([NH3+])c1noc(C[N@H+]2CCCC[C@H]2C2CCC2)n1 ZINC000647997528 395798975 /nfs/dbraw/zinc/79/89/75/395798975.db2.gz LOHSFPMKFXROGN-LBPRGKRZSA-N 2 1 278.400 2.418 20 0 CEADMP CCc1nc([C@H]2CCCC[N@@H+]2CC2CC[NH2+]CC2)no1 ZINC000648404430 395902198 /nfs/dbraw/zinc/90/21/98/395902198.db2.gz SOHKYWUWFSXBFQ-CYBMUJFWSA-N 2 1 278.400 2.159 20 0 CEADMP CCc1nc([C@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)no1 ZINC000648404430 395902201 /nfs/dbraw/zinc/90/22/01/395902201.db2.gz SOHKYWUWFSXBFQ-CYBMUJFWSA-N 2 1 278.400 2.159 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2C)CCO1 ZINC000648429296 395907038 /nfs/dbraw/zinc/90/70/38/395907038.db2.gz RLTMJIKBZQCPJV-ZIAGYGMSSA-N 2 1 251.374 2.129 20 0 CEADMP C[C@@H]1[C@H](C(=O)Nc2ccccc2C[NH+](C)C)CC[N@H+]1C ZINC000648731204 395969013 /nfs/dbraw/zinc/96/90/13/395969013.db2.gz IZDZLVPQWHBRMC-TZMCWYRMSA-N 2 1 275.396 2.027 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CCO1 ZINC000648871186 396006557 /nfs/dbraw/zinc/00/65/57/396006557.db2.gz YXRCDNMVKWYSKC-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)CCO1 ZINC000648871186 396006562 /nfs/dbraw/zinc/00/65/62/396006562.db2.gz YXRCDNMVKWYSKC-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000648907914 396015058 /nfs/dbraw/zinc/01/50/58/396015058.db2.gz IYFUXXDRNTVNCU-KBPBESRZSA-N 2 1 294.443 2.242 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000648907914 396015062 /nfs/dbraw/zinc/01/50/62/396015062.db2.gz IYFUXXDRNTVNCU-KBPBESRZSA-N 2 1 294.443 2.242 20 0 CEADMP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000649269655 396109183 /nfs/dbraw/zinc/10/91/83/396109183.db2.gz IRZOKXLQWJJONQ-OAHLLOKOSA-N 2 1 275.396 2.219 20 0 CEADMP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000649269655 396109186 /nfs/dbraw/zinc/10/91/86/396109186.db2.gz IRZOKXLQWJJONQ-OAHLLOKOSA-N 2 1 275.396 2.219 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000649413909 396147452 /nfs/dbraw/zinc/14/74/52/396147452.db2.gz RMVWWBZNYKCMNO-RDJZCZTQSA-N 3 1 281.488 2.428 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000649413909 396147455 /nfs/dbraw/zinc/14/74/55/396147455.db2.gz RMVWWBZNYKCMNO-RDJZCZTQSA-N 3 1 281.488 2.428 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000649413909 396147458 /nfs/dbraw/zinc/14/74/58/396147458.db2.gz RMVWWBZNYKCMNO-RDJZCZTQSA-N 3 1 281.488 2.428 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CCCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000649413909 396147461 /nfs/dbraw/zinc/14/74/61/396147461.db2.gz RMVWWBZNYKCMNO-RDJZCZTQSA-N 2 1 281.488 2.428 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CCCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000649413909 396147464 /nfs/dbraw/zinc/14/74/64/396147464.db2.gz RMVWWBZNYKCMNO-RDJZCZTQSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCCC2CC[NH2+]CC2)CCN1C ZINC000649413963 396148723 /nfs/dbraw/zinc/14/87/23/396148723.db2.gz ZJJYFGQKZQEDMO-HOCLYGCPSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000649413963 396148725 /nfs/dbraw/zinc/14/87/25/396148725.db2.gz ZJJYFGQKZQEDMO-HOCLYGCPSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)CCCC2CC[NH2+]CC2)CC[N@H+]1C ZINC000649413963 396148726 /nfs/dbraw/zinc/14/87/26/396148726.db2.gz ZJJYFGQKZQEDMO-HOCLYGCPSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)CCCC2CC[NH2+]CC2)CC[NH+]1C ZINC000649413963 396148728 /nfs/dbraw/zinc/14/87/28/396148728.db2.gz ZJJYFGQKZQEDMO-HOCLYGCPSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)CCCC2CC[NH2+]CC2)CC[NH+]1C ZINC000649413963 396148730 /nfs/dbraw/zinc/14/87/30/396148730.db2.gz ZJJYFGQKZQEDMO-HOCLYGCPSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000649545470 396183920 /nfs/dbraw/zinc/18/39/20/396183920.db2.gz GWFPWIDBWOOFNK-XHSDSOJGSA-N 2 1 268.445 2.201 20 0 CEADMP CC[C@H]1COC(C)(C)C[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000649717143 396237833 /nfs/dbraw/zinc/23/78/33/396237833.db2.gz XOKWUSZGELWKIB-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@H]1COC(C)(C)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000649717143 396237834 /nfs/dbraw/zinc/23/78/34/396237834.db2.gz XOKWUSZGELWKIB-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@H]1COC(C)(C)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000649717143 396237835 /nfs/dbraw/zinc/23/78/35/396237835.db2.gz XOKWUSZGELWKIB-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[C@H]1COC(C)(C)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000649717143 396237836 /nfs/dbraw/zinc/23/78/36/396237836.db2.gz XOKWUSZGELWKIB-KBPBESRZSA-N 2 1 254.418 2.360 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000646805509 396383054 /nfs/dbraw/zinc/38/30/54/396383054.db2.gz MPZSRJNHBHZFAR-CJNGLKHVSA-N 2 1 289.423 2.197 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CO1 ZINC000647249097 396449852 /nfs/dbraw/zinc/44/98/52/396449852.db2.gz BEABGZLARYIBKA-DZUCGIPZSA-N 2 1 274.408 2.099 20 0 CEADMP COC1(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCC1 ZINC000339003644 292108040 /nfs/dbraw/zinc/10/80/40/292108040.db2.gz LGYNBLOXEPQTRJ-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000050285420 400237962 /nfs/dbraw/zinc/23/79/62/400237962.db2.gz NNRAFYUMIDBTIR-KGLIPLIRSA-N 2 1 279.453 2.458 20 0 CEADMP Cc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000063201268 400241745 /nfs/dbraw/zinc/24/17/45/400241745.db2.gz HODBDKOLWKKSPP-CQSZACIVSA-N 2 1 260.385 2.062 20 0 CEADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000386391121 400526467 /nfs/dbraw/zinc/52/64/67/400526467.db2.gz UBMOVLQBLJEJDN-JSGCOSHPSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000386391121 400526470 /nfs/dbraw/zinc/52/64/70/400526470.db2.gz UBMOVLQBLJEJDN-JSGCOSHPSA-N 2 1 256.434 2.246 20 0 CEADMP COCC1(C[NH2+]CC[N@H+](C)C2CCCC2)CCC1 ZINC000386725017 400527931 /nfs/dbraw/zinc/52/79/31/400527931.db2.gz ZEMCTFMMWZYRLH-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP COCC1(C[NH2+]CC[N@@H+](C)C2CCCC2)CCC1 ZINC000386725017 400527934 /nfs/dbraw/zinc/52/79/34/400527934.db2.gz ZEMCTFMMWZYRLH-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H](C[NH2+]CCCc1cnn(C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000638363711 400691595 /nfs/dbraw/zinc/69/15/95/400691595.db2.gz PSUBUORUNVCFIN-GJZGRUSLSA-N 2 1 278.444 2.063 20 0 CEADMP C[C@@H](C[NH2+]CCCc1cnn(C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000638363711 400691597 /nfs/dbraw/zinc/69/15/97/400691597.db2.gz PSUBUORUNVCFIN-GJZGRUSLSA-N 2 1 278.444 2.063 20 0 CEADMP C(C[NH2+]C1CCC2(CCOCC2)CC1)[NH2+]C1CC1 ZINC000643507058 400702676 /nfs/dbraw/zinc/70/26/76/400702676.db2.gz QYEYFPREOFGKFH-UHFFFAOYSA-N 2 1 252.402 2.067 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707740 400998423 /nfs/dbraw/zinc/99/84/23/400998423.db2.gz MENLVHDADXBGJH-SOUVJXGZSA-N 2 1 254.418 2.251 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000650706889 400998717 /nfs/dbraw/zinc/99/87/17/400998717.db2.gz VBHPSQPGVROTIY-GUTXKFCHSA-N 2 1 280.437 2.466 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2cccc3c2OCCO3)[C@H]1CC[NH3+] ZINC000650711313 401001645 /nfs/dbraw/zinc/00/16/45/401001645.db2.gz PFTSOPGPWWZRJO-ZFWWWQNUSA-N 2 1 290.407 2.407 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H](C)OCC23CCC3)CC[NH2+]1 ZINC000650720532 401010360 /nfs/dbraw/zinc/01/03/60/401010360.db2.gz SGYYZNFLVKSBNC-MCIONIFRSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000650740011 401016093 /nfs/dbraw/zinc/01/60/93/401016093.db2.gz DSFSJMMKCJQMAT-HUUCEWRRSA-N 2 1 255.450 2.071 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000650740011 401016101 /nfs/dbraw/zinc/01/61/01/401016101.db2.gz DSFSJMMKCJQMAT-HUUCEWRRSA-N 3 1 255.450 2.071 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000650740011 401016108 /nfs/dbraw/zinc/01/61/08/401016108.db2.gz DSFSJMMKCJQMAT-HUUCEWRRSA-N 3 1 255.450 2.071 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000650740333 401016750 /nfs/dbraw/zinc/01/67/50/401016750.db2.gz KXOWAGLCQVPFQD-BBWFWOEESA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000650740333 401016758 /nfs/dbraw/zinc/01/67/58/401016758.db2.gz KXOWAGLCQVPFQD-BBWFWOEESA-N 3 1 281.488 2.475 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000650740333 401016765 /nfs/dbraw/zinc/01/67/65/401016765.db2.gz KXOWAGLCQVPFQD-BBWFWOEESA-N 3 1 281.488 2.475 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000650755845 401032697 /nfs/dbraw/zinc/03/26/97/401032697.db2.gz OCNKCLVLSXSJRJ-ZDUSSCGKSA-N 2 1 284.407 2.400 20 0 CEADMP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650755950 401033761 /nfs/dbraw/zinc/03/37/61/401033761.db2.gz QEVIORSLNPZLGC-CYBMUJFWSA-N 2 1 272.396 2.473 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000650757116 401034778 /nfs/dbraw/zinc/03/47/78/401034778.db2.gz PGPHVQGIADSQRL-IRXDYDNUSA-N 3 1 273.424 2.122 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000650757116 401034784 /nfs/dbraw/zinc/03/47/84/401034784.db2.gz PGPHVQGIADSQRL-IRXDYDNUSA-N 2 1 273.424 2.122 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000650757116 401034790 /nfs/dbraw/zinc/03/47/90/401034790.db2.gz PGPHVQGIADSQRL-IRXDYDNUSA-N 2 1 273.424 2.122 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)CCO1 ZINC000651491438 401349478 /nfs/dbraw/zinc/34/94/78/401349478.db2.gz OMAFCRPYZTVUHI-HIFRSBDPSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000158156331 289229009 /nfs/dbraw/zinc/22/90/09/289229009.db2.gz LXXYQESBLNARBO-FZMZJTMJSA-N 2 1 262.401 2.086 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651681589 401370742 /nfs/dbraw/zinc/37/07/42/401370742.db2.gz UYLWMCZYAGXSRY-LBPRGKRZSA-N 2 1 259.353 2.259 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651681589 401370744 /nfs/dbraw/zinc/37/07/44/401370744.db2.gz UYLWMCZYAGXSRY-LBPRGKRZSA-N 2 1 259.353 2.259 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651829723 401401466 /nfs/dbraw/zinc/40/14/66/401401466.db2.gz KJQKFFKMYYOONW-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP C1CC1[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000651928567 401416661 /nfs/dbraw/zinc/41/66/61/401416661.db2.gz LDYMKLNPDZXITQ-BBWFWOEESA-N 2 1 278.440 2.408 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000652222151 401467033 /nfs/dbraw/zinc/46/70/33/401467033.db2.gz GNGXJEWDSXWRRT-GVDBMIGSSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000652222151 401467036 /nfs/dbraw/zinc/46/70/36/401467036.db2.gz GNGXJEWDSXWRRT-GVDBMIGSSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+](C)CCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000652222151 401467039 /nfs/dbraw/zinc/46/70/39/401467039.db2.gz GNGXJEWDSXWRRT-GVDBMIGSSA-N 2 1 281.488 2.427 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000652222151 401467042 /nfs/dbraw/zinc/46/70/42/401467042.db2.gz GNGXJEWDSXWRRT-GVDBMIGSSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000652222151 401467046 /nfs/dbraw/zinc/46/70/46/401467046.db2.gz GNGXJEWDSXWRRT-GVDBMIGSSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000652222151 401467047 /nfs/dbraw/zinc/46/70/47/401467047.db2.gz GNGXJEWDSXWRRT-GVDBMIGSSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000652222151 401467051 /nfs/dbraw/zinc/46/70/51/401467051.db2.gz GNGXJEWDSXWRRT-GVDBMIGSSA-N 3 1 281.488 2.427 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000652522311 401536378 /nfs/dbraw/zinc/53/63/78/401536378.db2.gz CTCVDZHVXWDEBG-JYJNAYRXSA-N 2 1 297.487 2.342 20 0 CEADMP CCn1cc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C(C)C)cn1 ZINC000652358516 401493840 /nfs/dbraw/zinc/49/38/40/401493840.db2.gz OGMJTLWKPSJCHP-AWEZNQCLSA-N 2 1 264.417 2.113 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)o1 ZINC000268911013 292195457 /nfs/dbraw/zinc/19/54/57/292195457.db2.gz MVORMSPMQITKOU-HUUCEWRRSA-N 2 1 280.412 2.476 20 0 CEADMP CC[C@@H](C(=O)NCC[N@H+]1CCCC[C@H]1CC)[NH+](CC)CC ZINC000360219630 155246352 /nfs/dbraw/zinc/24/63/52/155246352.db2.gz VSSYYHKCCWRQEK-CVEARBPZSA-N 2 1 297.487 2.488 20 0 CEADMP COCC1(C[N@@H+](C)CCC[NH+]2CCCC2)CCC1 ZINC000361383098 292230205 /nfs/dbraw/zinc/23/02/05/292230205.db2.gz ZCERQFJRALYOAU-UHFFFAOYSA-N 2 1 254.418 2.221 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000307842548 289276368 /nfs/dbraw/zinc/27/63/68/289276368.db2.gz FIZFPKKVEQWION-KGLIPLIRSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000307842548 289276372 /nfs/dbraw/zinc/27/63/72/289276372.db2.gz FIZFPKKVEQWION-KGLIPLIRSA-N 2 1 256.434 2.057 20 0 CEADMP Cn1ccc(CN2C[C@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@@H]3C2)n1 ZINC000360776516 155370624 /nfs/dbraw/zinc/37/06/24/155370624.db2.gz DZVPVVIBGIFCGK-KBAYOESNSA-N 2 1 296.418 2.155 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N(C)CC)nc2)C1 ZINC000190853337 153146655 /nfs/dbraw/zinc/14/66/55/153146655.db2.gz DWGCCPUXGBYEOC-INIZCTEOSA-N 2 1 290.455 2.359 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N(C)CC)nc2)C1 ZINC000190853337 153146658 /nfs/dbraw/zinc/14/66/58/153146658.db2.gz DWGCCPUXGBYEOC-INIZCTEOSA-N 2 1 290.455 2.359 20 0 CEADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCC(C)CC1 ZINC000192773820 153220731 /nfs/dbraw/zinc/22/07/31/153220731.db2.gz NMLDJYRMNOSTGA-XYTVBORESA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)C[C@@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192918864 153223217 /nfs/dbraw/zinc/22/32/17/153223217.db2.gz GMFAPTXOHNBVSY-WZYMTQMTSA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)CC[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192890478 153224251 /nfs/dbraw/zinc/22/42/51/153224251.db2.gz UOEJLJSWXREIFR-WTXIUTQJSA-N 2 1 268.445 2.388 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000193950485 153244470 /nfs/dbraw/zinc/24/44/70/153244470.db2.gz AKXDICIQMAKFBV-QLFBSQMISA-N 2 1 264.413 2.018 20 0 CEADMP C[C@H](CC[NH3+])[NH2+]Cc1sccc1Br ZINC000220518409 153307243 /nfs/dbraw/zinc/30/72/43/153307243.db2.gz YBCQMEXFIMXIKO-SSDOTTSWSA-N 2 1 263.204 2.338 20 0 CEADMP CC(C)n1cc(C[NH2+]CCC[NH+]2CCCC2)cn1 ZINC000226239460 153330740 /nfs/dbraw/zinc/33/07/40/153330740.db2.gz ROHZGIKJTWIWEL-UHFFFAOYSA-N 2 1 250.390 2.040 20 0 CEADMP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccncc1 ZINC000230008132 153379622 /nfs/dbraw/zinc/37/96/22/153379622.db2.gz GNQCSUHFEKUPBQ-UHFFFAOYSA-N 2 1 255.365 2.433 20 0 CEADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC000230008132 153379626 /nfs/dbraw/zinc/37/96/26/153379626.db2.gz GNQCSUHFEKUPBQ-UHFFFAOYSA-N 2 1 255.365 2.433 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCCC[C@@H]1C ZINC000349116834 154310226 /nfs/dbraw/zinc/31/02/26/154310226.db2.gz HUYOMKZUWRTPRD-ARFHVFGLSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000349116834 154310232 /nfs/dbraw/zinc/31/02/32/154310232.db2.gz HUYOMKZUWRTPRD-ARFHVFGLSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000349116834 154310238 /nfs/dbraw/zinc/31/02/38/154310238.db2.gz HUYOMKZUWRTPRD-ARFHVFGLSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]1CCC[C@@H](C[N@@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000352770090 154330594 /nfs/dbraw/zinc/33/05/94/154330594.db2.gz QJTXNZLHWGDCIH-DLBZAZTESA-N 2 1 281.488 2.382 20 0 CEADMP CC[N@@H+](CCOCC[NH3+])Cc1ccccc1Cl ZINC000357071062 154371893 /nfs/dbraw/zinc/37/18/93/154371893.db2.gz JHNVXFIIIJTZRN-UHFFFAOYSA-N 2 1 256.777 2.137 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357084520 154377606 /nfs/dbraw/zinc/37/76/06/154377606.db2.gz QRBRPNMSQIFJHY-HOTGVXAUSA-N 2 1 274.408 2.169 20 0 CEADMP C[C@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)C[N@H+]1C1CC1 ZINC000357860174 154392050 /nfs/dbraw/zinc/39/20/50/154392050.db2.gz WMRBCWZFBMMZKF-GJZGRUSLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CN1C1CC1 ZINC000357860174 154392053 /nfs/dbraw/zinc/39/20/53/154392053.db2.gz WMRBCWZFBMMZKF-GJZGRUSLSA-N 2 1 279.472 2.323 20 0 CEADMP CCOc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000359455465 155020000 /nfs/dbraw/zinc/02/00/00/155020000.db2.gz JGJOQXDMUKYSJK-HUUCEWRRSA-N 2 1 290.407 2.135 20 0 CEADMP CCc1ccc([C@H](CO)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000359538121 155048356 /nfs/dbraw/zinc/04/83/56/155048356.db2.gz MDOSBVKTEOAHLH-KRWDZBQOSA-N 2 1 287.407 2.467 20 0 CEADMP CCN(C)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000359719676 155121019 /nfs/dbraw/zinc/12/10/19/155121019.db2.gz LWVGGGOCICSPKV-DZGCQCFKSA-N 2 1 276.428 2.110 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000359719676 155121023 /nfs/dbraw/zinc/12/10/23/155121023.db2.gz LWVGGGOCICSPKV-DZGCQCFKSA-N 2 1 276.428 2.110 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000359719676 155121024 /nfs/dbraw/zinc/12/10/24/155121024.db2.gz LWVGGGOCICSPKV-DZGCQCFKSA-N 2 1 276.428 2.110 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000359719676 155121027 /nfs/dbraw/zinc/12/10/27/155121027.db2.gz LWVGGGOCICSPKV-DZGCQCFKSA-N 2 1 276.428 2.110 20 0 CEADMP c1cc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)ccn1 ZINC000363260437 156020336 /nfs/dbraw/zinc/02/03/36/156020336.db2.gz WGACAYNAYHCVCY-IKGGRYGDSA-N 2 1 271.408 2.040 20 0 CEADMP c1cc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)ccn1 ZINC000363260437 156020339 /nfs/dbraw/zinc/02/03/39/156020339.db2.gz WGACAYNAYHCVCY-IKGGRYGDSA-N 2 1 271.408 2.040 20 0 CEADMP c1cc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)ccn1 ZINC000363260437 156020341 /nfs/dbraw/zinc/02/03/41/156020341.db2.gz WGACAYNAYHCVCY-IKGGRYGDSA-N 2 1 271.408 2.040 20 0 CEADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000364339598 156066405 /nfs/dbraw/zinc/06/64/05/156066405.db2.gz DUSGSZRANKLSFG-DJIMGWMZSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000365736250 156074453 /nfs/dbraw/zinc/07/44/53/156074453.db2.gz NKKPUJNXOALXJE-FIBILERRSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cnc2n1CCCC2 ZINC000367437381 156186222 /nfs/dbraw/zinc/18/62/22/156186222.db2.gz IVRBIXDDZINZJR-IPYPFGDCSA-N 2 1 276.428 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnc2n1CCCC2 ZINC000367437381 156186226 /nfs/dbraw/zinc/18/62/26/156186226.db2.gz IVRBIXDDZINZJR-IPYPFGDCSA-N 2 1 276.428 2.038 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000367595534 156210331 /nfs/dbraw/zinc/21/03/31/156210331.db2.gz BIPVGQQYPYJCML-BZSNNMDCSA-N 2 1 291.483 2.323 20 0 CEADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367613089 156213535 /nfs/dbraw/zinc/21/35/35/156213535.db2.gz FGJYEUXQKKOODG-BBWFWOEESA-N 2 1 290.455 2.042 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367600106 156215313 /nfs/dbraw/zinc/21/53/13/156215313.db2.gz YIKSRAKOSVFOSZ-FZMZJTMJSA-N 2 1 273.384 2.218 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOC2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000367742881 156232682 /nfs/dbraw/zinc/23/26/82/156232682.db2.gz WYFVIPPFBYHMMV-JYJNAYRXSA-N 2 1 266.429 2.408 20 0 CEADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OC1CCC1 ZINC000367869391 156249360 /nfs/dbraw/zinc/24/93/60/156249360.db2.gz WVGXMFSYXYIRGY-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000368075046 156278597 /nfs/dbraw/zinc/27/85/97/156278597.db2.gz PQFYBSKXMZIZIL-HUUCEWRRSA-N 2 1 277.412 2.471 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000368075046 156278598 /nfs/dbraw/zinc/27/85/98/156278598.db2.gz PQFYBSKXMZIZIL-HUUCEWRRSA-N 2 1 277.412 2.471 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000368404581 156335994 /nfs/dbraw/zinc/33/59/94/156335994.db2.gz WTKQVISHBGKITH-ARFHVFGLSA-N 2 1 276.424 2.186 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cn1 ZINC000530513278 298075364 /nfs/dbraw/zinc/07/53/64/298075364.db2.gz ZOGVMPSLZUYABO-GFCCVEGCSA-N 2 1 261.373 2.091 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCSC2(CCOCC2)C1 ZINC000375218123 157065312 /nfs/dbraw/zinc/06/53/12/157065312.db2.gz NGTPPLJEWPWJTB-UHFFFAOYSA-N 2 1 295.452 2.180 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCSC2(CCOCC2)C1 ZINC000375218123 157065316 /nfs/dbraw/zinc/06/53/16/157065316.db2.gz NGTPPLJEWPWJTB-UHFFFAOYSA-N 2 1 295.452 2.180 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCCCCF)C2)CC1 ZINC000375374578 157091312 /nfs/dbraw/zinc/09/13/12/157091312.db2.gz YNBGVGKCMHLJQM-MRXNPFEDSA-N 2 1 285.451 2.228 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCCCCF)C2)CC1 ZINC000375374578 157091317 /nfs/dbraw/zinc/09/13/17/157091317.db2.gz YNBGVGKCMHLJQM-MRXNPFEDSA-N 2 1 285.451 2.228 20 0 CEADMP C[N@H+](CCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375765460 157140469 /nfs/dbraw/zinc/14/04/69/157140469.db2.gz WABXJCKUDYOTBX-PBWFPOADSA-N 2 1 297.443 2.068 20 0 CEADMP C[N@@H+](CCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375765460 157140470 /nfs/dbraw/zinc/14/04/70/157140470.db2.gz WABXJCKUDYOTBX-PBWFPOADSA-N 2 1 297.443 2.068 20 0 CEADMP C[NH+](CCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375765460 157140471 /nfs/dbraw/zinc/14/04/71/157140471.db2.gz WABXJCKUDYOTBX-PBWFPOADSA-N 2 1 297.443 2.068 20 0 CEADMP C[NH+](CCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375765460 157140472 /nfs/dbraw/zinc/14/04/72/157140472.db2.gz WABXJCKUDYOTBX-PBWFPOADSA-N 2 1 297.443 2.068 20 0 CEADMP CCOC1CC2(C1)CC[N@H+](CCCn1cc[nH+]c1C)C2 ZINC000375767444 157141316 /nfs/dbraw/zinc/14/13/16/157141316.db2.gz FGBXPOCLPJFUQQ-UHFFFAOYSA-N 2 1 277.412 2.473 20 0 CEADMP CCOC1CC2(C1)CC[N@@H+](CCCn1cc[nH+]c1C)C2 ZINC000375767444 157141321 /nfs/dbraw/zinc/14/13/21/157141321.db2.gz FGBXPOCLPJFUQQ-UHFFFAOYSA-N 2 1 277.412 2.473 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)CC2CCCC2)CC1 ZINC000376097576 157184968 /nfs/dbraw/zinc/18/49/68/157184968.db2.gz SRPGLOFDSFOCNZ-HZPDHXFCSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1ccccc1[C@H](CO)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531739082 298118536 /nfs/dbraw/zinc/11/85/36/298118536.db2.gz GQBXQQRNDKDHAW-YCPHGPKFSA-N 2 1 262.397 2.101 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000531739082 298118542 /nfs/dbraw/zinc/11/85/42/298118542.db2.gz GQBXQQRNDKDHAW-YCPHGPKFSA-N 2 1 262.397 2.101 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(Cl)cnn1C ZINC000131795553 162299376 /nfs/dbraw/zinc/29/93/76/162299376.db2.gz MONCROLSSSWJLF-UHFFFAOYSA-N 2 1 281.791 2.148 20 0 CEADMP C[C@H](CC(=O)NCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000164989580 162342079 /nfs/dbraw/zinc/34/20/79/162342079.db2.gz YJJZFSIKSVPLPR-BZUAXINKSA-N 2 1 295.471 2.003 20 0 CEADMP O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000168531633 162367293 /nfs/dbraw/zinc/36/72/93/162367293.db2.gz FEQGCKACWPMPQC-LSDHHAIUSA-N 2 1 293.455 2.042 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000168620236 162367511 /nfs/dbraw/zinc/36/75/11/162367511.db2.gz QAFAOYXBHYOFEV-ZIAGYGMSSA-N 2 1 278.396 2.133 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000171453509 162383398 /nfs/dbraw/zinc/38/33/98/162383398.db2.gz QTBDZNCHYOOZNA-HNNXBMFYSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000356839643 287022991 /nfs/dbraw/zinc/02/29/91/287022991.db2.gz JAKGCMLEGFZMJR-YYIAUSFCSA-N 2 1 298.471 2.281 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH+](CC)CC)C1 ZINC000110976658 287051484 /nfs/dbraw/zinc/05/14/84/287051484.db2.gz ALYUWSDGENUAIJ-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000169195730 165036280 /nfs/dbraw/zinc/03/62/80/165036280.db2.gz WBDDLKOHOGHBHW-OLZOCXBDSA-N 2 1 266.360 2.264 20 0 CEADMP CC(C)CCOCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177056850 165185544 /nfs/dbraw/zinc/18/55/44/165185544.db2.gz YEMGVLUNWCISCC-HUUCEWRRSA-N 2 1 256.434 2.464 20 0 CEADMP CC(C)CCOCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177056850 165185548 /nfs/dbraw/zinc/18/55/48/165185548.db2.gz YEMGVLUNWCISCC-HUUCEWRRSA-N 2 1 256.434 2.464 20 0 CEADMP CC(C)CCOCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177056850 165185550 /nfs/dbraw/zinc/18/55/50/165185550.db2.gz YEMGVLUNWCISCC-HUUCEWRRSA-N 2 1 256.434 2.464 20 0 CEADMP CC(C)CCOCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177056850 165185553 /nfs/dbraw/zinc/18/55/53/165185553.db2.gz YEMGVLUNWCISCC-HUUCEWRRSA-N 2 1 256.434 2.464 20 0 CEADMP CCn1cc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC000178253465 165226862 /nfs/dbraw/zinc/22/68/62/165226862.db2.gz QSPURZXPBSENCL-CYBMUJFWSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000178514760 165245624 /nfs/dbraw/zinc/24/56/24/165245624.db2.gz GMOAVSIQSURAQF-MGPQQGTHSA-N 2 1 294.443 2.444 20 0 CEADMP CC(C)n1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000178639058 165253489 /nfs/dbraw/zinc/25/34/89/165253489.db2.gz SFGKADYLERQYHW-ZBFHGGJFSA-N 2 1 276.428 2.380 20 0 CEADMP CC(C)n1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000179905003 165292210 /nfs/dbraw/zinc/29/22/10/165292210.db2.gz AENXXVHCZJOAIS-UKRRQHHQSA-N 2 1 264.417 2.379 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2c3ccccc3NC2=O)CC[N@H+]1C ZINC000180394045 165309326 /nfs/dbraw/zinc/30/93/26/165309326.db2.gz QSAIBXGKKKHXKA-UMVBOHGHSA-N 2 1 287.407 2.185 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CC[C@H]1CCCO1)CC[NH2+]CC2 ZINC000335281802 287237379 /nfs/dbraw/zinc/23/73/79/287237379.db2.gz YLHCYVIXFKTDPN-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000020189195 171053953 /nfs/dbraw/zinc/05/39/53/171053953.db2.gz QVIOMMDBMKGDDQ-UHFFFAOYSA-N 2 1 290.407 2.436 20 0 CEADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000020523965 171236752 /nfs/dbraw/zinc/23/67/52/171236752.db2.gz ZSHZDBWWWQLBKK-JALIKCBVSA-N 2 1 277.412 2.097 20 0 CEADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000020523965 171236755 /nfs/dbraw/zinc/23/67/55/171236755.db2.gz ZSHZDBWWWQLBKK-JALIKCBVSA-N 2 1 277.412 2.097 20 0 CEADMP OCCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285464990 196292454 /nfs/dbraw/zinc/29/24/54/196292454.db2.gz HCYKDACLAZJPJJ-SFHVURJKSA-N 2 1 288.435 2.357 20 0 CEADMP OCCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285464990 196292455 /nfs/dbraw/zinc/29/24/55/196292455.db2.gz HCYKDACLAZJPJJ-SFHVURJKSA-N 2 1 288.435 2.357 20 0 CEADMP OCCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285464990 196292457 /nfs/dbraw/zinc/29/24/57/196292457.db2.gz HCYKDACLAZJPJJ-SFHVURJKSA-N 2 1 288.435 2.357 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000653892151 414775410 /nfs/dbraw/zinc/77/54/10/414775410.db2.gz BIDVQGHVPJRVMW-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000653892151 414775416 /nfs/dbraw/zinc/77/54/16/414775416.db2.gz BIDVQGHVPJRVMW-CVEARBPZSA-N 2 1 268.445 2.344 20 0 CEADMP [NH3+]C1(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC000662874359 414782181 /nfs/dbraw/zinc/78/21/81/414782181.db2.gz HNGNZTGOWOVTNO-AWEZNQCLSA-N 2 1 293.455 2.171 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401000086 414748485 /nfs/dbraw/zinc/74/84/85/414748485.db2.gz AZQBSFSMPMRAEH-QBPKDAKJSA-N 3 1 279.472 2.229 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000122349876 414789854 /nfs/dbraw/zinc/78/98/54/414789854.db2.gz LOXAVEBBMMTSIX-RDJZCZTQSA-N 2 1 284.407 2.432 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000122349876 414789860 /nfs/dbraw/zinc/78/98/60/414789860.db2.gz LOXAVEBBMMTSIX-RDJZCZTQSA-N 2 1 284.407 2.432 20 0 CEADMP CCCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)c1 ZINC000405558112 414797235 /nfs/dbraw/zinc/79/72/35/414797235.db2.gz BZDZUTFEMQLCSS-NVXWUHKLSA-N 2 1 292.423 2.271 20 0 CEADMP CCCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)c1 ZINC000405558112 414797239 /nfs/dbraw/zinc/79/72/39/414797239.db2.gz BZDZUTFEMQLCSS-NVXWUHKLSA-N 2 1 292.423 2.271 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CO1 ZINC000657334098 414865958 /nfs/dbraw/zinc/86/59/58/414865958.db2.gz MAXPFRFRWFVWBP-ZFWWWQNUSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCNCc1cnn2c1CCC2 ZINC000657293519 414836225 /nfs/dbraw/zinc/83/62/25/414836225.db2.gz PHXSKPMFRCKMDT-AWEZNQCLSA-N 2 1 276.428 2.183 20 0 CEADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnn2c1CCC2 ZINC000657293519 414836229 /nfs/dbraw/zinc/83/62/29/414836229.db2.gz PHXSKPMFRCKMDT-AWEZNQCLSA-N 2 1 276.428 2.183 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnn2c1CCC2 ZINC000657293519 414836234 /nfs/dbraw/zinc/83/62/34/414836234.db2.gz PHXSKPMFRCKMDT-AWEZNQCLSA-N 2 1 276.428 2.183 20 0 CEADMP c1cc(O[C@@H]2CCOC2)ccc1CNCC[NH+]1CCCC1 ZINC000657292507 414837139 /nfs/dbraw/zinc/83/71/39/414837139.db2.gz PMSADEVNUUFSCA-QGZVFWFLSA-N 2 1 290.407 2.040 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657310819 414852048 /nfs/dbraw/zinc/85/20/48/414852048.db2.gz GDDXZEGUWANHDL-HNNXBMFYSA-N 2 1 290.455 2.431 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](C3CC3)C[C@@H](C)C2)C1 ZINC000660644667 414912812 /nfs/dbraw/zinc/91/28/12/414912812.db2.gz JFPSTTUNVAFXDO-BBWFWOEESA-N 2 1 293.499 2.380 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[N@@H+](C3CC3)C[C@@H](C)C2)C1 ZINC000660644667 414912816 /nfs/dbraw/zinc/91/28/16/414912816.db2.gz JFPSTTUNVAFXDO-BBWFWOEESA-N 2 1 293.499 2.380 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[N@H+](C3CC3)C[C@@H](C)C2)C1 ZINC000660644667 414912817 /nfs/dbraw/zinc/91/28/17/414912817.db2.gz JFPSTTUNVAFXDO-BBWFWOEESA-N 2 1 293.499 2.380 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCCCn1cccn1)C2 ZINC000660658188 414919676 /nfs/dbraw/zinc/91/96/76/414919676.db2.gz DIVAMPZDQDEDPR-QGZVFWFLSA-N 2 1 290.455 2.471 20 0 CEADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCCCn1cccn1)C2 ZINC000660658188 414919681 /nfs/dbraw/zinc/91/96/81/414919681.db2.gz DIVAMPZDQDEDPR-QGZVFWFLSA-N 2 1 290.455 2.471 20 0 CEADMP COCCCCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660085 414920801 /nfs/dbraw/zinc/92/08/01/414920801.db2.gz UDOYHHYKCLYSEI-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP COCCCCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660085 414920803 /nfs/dbraw/zinc/92/08/03/414920803.db2.gz UDOYHHYKCLYSEI-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP COCCCCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660660085 414920806 /nfs/dbraw/zinc/92/08/06/414920806.db2.gz UDOYHHYKCLYSEI-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP Cc1ccc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)nc1 ZINC000660659159 414920996 /nfs/dbraw/zinc/92/09/96/414920996.db2.gz KZLSASDTZIHGRF-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP CC1CC[NH+](CCN2CCC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000660659923 414921322 /nfs/dbraw/zinc/92/13/22/414921322.db2.gz SPKKNUDWVAKSNK-QGZVFWFLSA-N 2 1 279.472 2.136 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665116 414927351 /nfs/dbraw/zinc/92/73/51/414927351.db2.gz UGWYSPQFCXIYHG-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP CC[C@@H]1CCC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000657346789 414874421 /nfs/dbraw/zinc/87/44/21/414874421.db2.gz OEACLYBACBVUDR-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH2+][C@H]1C)C1CCCCC1 ZINC000653200342 414942501 /nfs/dbraw/zinc/94/25/01/414942501.db2.gz AXZODFASENJHGS-GOEBONIOSA-N 2 1 295.471 2.145 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CO1 ZINC000657377989 414896926 /nfs/dbraw/zinc/89/69/26/414896926.db2.gz STPPJNRGEPCCQH-HKJOBYGYSA-N 2 1 252.402 2.159 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CO1 ZINC000657377989 414896930 /nfs/dbraw/zinc/89/69/30/414896930.db2.gz STPPJNRGEPCCQH-HKJOBYGYSA-N 2 1 252.402 2.159 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CO1 ZINC000657377991 414898354 /nfs/dbraw/zinc/89/83/54/414898354.db2.gz STPPJNRGEPCCQH-IWNKAIHXSA-N 2 1 252.402 2.159 20 0 CEADMP CC[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CO1 ZINC000657377991 414898360 /nfs/dbraw/zinc/89/83/60/414898360.db2.gz STPPJNRGEPCCQH-IWNKAIHXSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(Cc3cnc4ccccc4n3)C2)C1 ZINC000660617905 414900399 /nfs/dbraw/zinc/90/03/99/414900399.db2.gz ZUZMVXHCAWNFET-QGZVFWFLSA-N 2 1 282.391 2.157 20 0 CEADMP CC[N@H+]1CCCN(CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000660787167 414972920 /nfs/dbraw/zinc/97/29/20/414972920.db2.gz OHKXPPRCQYNYDH-INIZCTEOSA-N 2 1 267.461 2.279 20 0 CEADMP C[NH2+]C[C@H](C)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000663509323 414976999 /nfs/dbraw/zinc/97/69/99/414976999.db2.gz IZBJFIZYNSHISF-SQWLQELKSA-N 2 1 261.413 2.019 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C/C=C/CO)CC[N@@H+]1Cc1ccccc1 ZINC000657593549 415016227 /nfs/dbraw/zinc/01/62/27/415016227.db2.gz ICAXZNFAGSESPD-HEDFYIJFSA-N 2 1 274.408 2.178 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C/C=C/CO)CC[N@H+]1Cc1ccccc1 ZINC000657593549 415016233 /nfs/dbraw/zinc/01/62/33/415016233.db2.gz ICAXZNFAGSESPD-HEDFYIJFSA-N 2 1 274.408 2.178 20 0 CEADMP C[C@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[NH+](C)C ZINC000654479977 414947330 /nfs/dbraw/zinc/94/73/30/414947330.db2.gz MQQMCFFJXILECA-RISCZKNCSA-N 2 1 297.830 2.009 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CO1 ZINC000663466077 414962117 /nfs/dbraw/zinc/96/21/17/414962117.db2.gz NWYZCFAEAUQERH-LSDHHAIUSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000660757596 414962166 /nfs/dbraw/zinc/96/21/66/414962166.db2.gz IHEPIVMHEXZJTG-FXUDXRNXSA-N 2 1 270.461 2.492 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000663468030 414963527 /nfs/dbraw/zinc/96/35/27/414963527.db2.gz JYHQXNCAZRLPQA-DOTOQJQBSA-N 3 1 293.499 2.428 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+](CC3CC3)C2)CC[N@H+]1C ZINC000663471287 414966071 /nfs/dbraw/zinc/96/60/71/414966071.db2.gz XKBUVLMZMNXFMH-DJIMGWMZSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC[NH+]1C ZINC000663471287 414966081 /nfs/dbraw/zinc/96/60/81/414966081.db2.gz XKBUVLMZMNXFMH-DJIMGWMZSA-N 2 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH+](CC3CC3)C2)CC[N@@H+]1C ZINC000663471287 414966100 /nfs/dbraw/zinc/96/61/00/414966100.db2.gz XKBUVLMZMNXFMH-DJIMGWMZSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH+](CC3CC3)C2)CC[N@H+]1C ZINC000663471287 414966106 /nfs/dbraw/zinc/96/61/06/414966106.db2.gz XKBUVLMZMNXFMH-DJIMGWMZSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC[NH+]1C ZINC000663471287 414966114 /nfs/dbraw/zinc/96/61/14/414966114.db2.gz XKBUVLMZMNXFMH-DJIMGWMZSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC[NH+]1C ZINC000663471287 414966116 /nfs/dbraw/zinc/96/61/16/414966116.db2.gz XKBUVLMZMNXFMH-DJIMGWMZSA-N 3 1 279.472 2.181 20 0 CEADMP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cs1 ZINC000657752835 415069262 /nfs/dbraw/zinc/06/92/62/415069262.db2.gz SJEOYNNHQVXVCG-OAHLLOKOSA-N 2 1 280.437 2.399 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)CN[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000660909393 415032407 /nfs/dbraw/zinc/03/24/07/415032407.db2.gz UMZTZBRZZHJGGI-RWMBFGLXSA-N 2 1 296.377 2.398 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000660909393 415032417 /nfs/dbraw/zinc/03/24/17/415032417.db2.gz UMZTZBRZZHJGGI-RWMBFGLXSA-N 2 1 296.377 2.398 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000653556828 415032944 /nfs/dbraw/zinc/03/29/44/415032944.db2.gz LROIPKYIPNSXGO-HZPDHXFCSA-N 2 1 266.429 2.121 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]2(CC=CCC2)C1 ZINC000653556828 415032947 /nfs/dbraw/zinc/03/29/47/415032947.db2.gz LROIPKYIPNSXGO-HZPDHXFCSA-N 2 1 266.429 2.121 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]2(CC=CCC2)C1 ZINC000653556828 415032950 /nfs/dbraw/zinc/03/29/50/415032950.db2.gz LROIPKYIPNSXGO-HZPDHXFCSA-N 2 1 266.429 2.121 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H]2CCCn3nccc32)CC1 ZINC000657822956 415095908 /nfs/dbraw/zinc/09/59/08/415095908.db2.gz FPBCWDJNYDGSRZ-AWEZNQCLSA-N 2 1 262.401 2.182 20 0 CEADMP C[C@@H](Cn1cncn1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000657839295 415101074 /nfs/dbraw/zinc/10/10/74/415101074.db2.gz RAFOEZYSFIBBBT-XHSDSOJGSA-N 2 1 293.459 2.014 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CCCn2nccc21)C[NH+]1CCCC1 ZINC000657844095 415102649 /nfs/dbraw/zinc/10/26/49/415102649.db2.gz GHNQUACUHBNQIQ-UONOGXRCSA-N 2 1 262.401 2.040 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2COC3(CCC3)C2)C[C@H](C)O1 ZINC000657920062 415124437 /nfs/dbraw/zinc/12/44/37/415124437.db2.gz VNQLHZAKMLJDDX-XHSDSOJGSA-N 2 1 296.455 2.177 20 0 CEADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2COC3(CCC3)C2)C[C@H](C)O1 ZINC000657920061 415124678 /nfs/dbraw/zinc/12/46/78/415124678.db2.gz VNQLHZAKMLJDDX-OWCLPIDISA-N 2 1 296.455 2.177 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COC(C)(C)C2)[C@@H]2CCC[C@@H]21 ZINC000658056991 415178125 /nfs/dbraw/zinc/17/81/25/415178125.db2.gz DRXHFUFCWCUXOF-XUXIUFHCSA-N 2 1 252.402 2.016 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000658095706 415206244 /nfs/dbraw/zinc/20/62/44/415206244.db2.gz KKQJLPWOWACMLC-FXUDXRNXSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000658095706 415206251 /nfs/dbraw/zinc/20/62/51/415206251.db2.gz KKQJLPWOWACMLC-FXUDXRNXSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000658095706 415206258 /nfs/dbraw/zinc/20/62/58/415206258.db2.gz KKQJLPWOWACMLC-FXUDXRNXSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(F)F)[C@@H]2CCC[C@@H]21 ZINC000658222487 415260908 /nfs/dbraw/zinc/26/09/08/415260908.db2.gz OTFLVRAPHIVOEE-CYDGBPFRSA-N 2 1 258.356 2.494 20 0 CEADMP CC(C)[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658146002 415232119 /nfs/dbraw/zinc/23/21/19/415232119.db2.gz SVIKZQKEMRXZET-RHSMWYFYSA-N 2 1 276.424 2.387 20 0 CEADMP CC1(C)C[C@]1(C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658300317 415305354 /nfs/dbraw/zinc/30/53/54/415305354.db2.gz DRIXEKXTIPQLST-HOCLYGCPSA-N 2 1 266.429 2.408 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCC1 ZINC000658316840 415314234 /nfs/dbraw/zinc/31/42/34/415314234.db2.gz SPGBASUQLXPOHU-VHDGCEQUSA-N 2 1 254.418 2.264 20 0 CEADMP O[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000658348844 415330289 /nfs/dbraw/zinc/33/02/89/415330289.db2.gz SEURJLDEOMNSRL-BGRQEXKUSA-N 2 1 286.419 2.295 20 0 CEADMP C(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COC1CCCC1 ZINC000655703891 415397255 /nfs/dbraw/zinc/39/72/55/415397255.db2.gz MMNOBEUSOOILRY-MRXNPFEDSA-N 2 1 296.455 2.179 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](CCF)C1 ZINC000661690603 415403092 /nfs/dbraw/zinc/40/30/92/415403092.db2.gz SBIALIQJAGNDRK-CYBMUJFWSA-N 2 1 253.365 2.424 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](CCF)C1 ZINC000661690603 415403093 /nfs/dbraw/zinc/40/30/93/415403093.db2.gz SBIALIQJAGNDRK-CYBMUJFWSA-N 2 1 253.365 2.424 20 0 CEADMP CC(C)[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655726832 415416145 /nfs/dbraw/zinc/41/61/45/415416145.db2.gz QCVUYJVLJAVLFD-HIFRSBDPSA-N 2 1 254.418 2.121 20 0 CEADMP c1cc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cs1 ZINC000655685960 415385879 /nfs/dbraw/zinc/38/58/79/415385879.db2.gz VGNCRDOOTQQRBY-OAHLLOKOSA-N 2 1 280.437 2.134 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661838950 415491441 /nfs/dbraw/zinc/49/14/41/415491441.db2.gz IIXMNROGQQNGHM-RBSFLKMASA-N 2 1 298.471 2.015 20 0 CEADMP CCC(O)(CC)CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655760383 415440351 /nfs/dbraw/zinc/44/03/51/415440351.db2.gz OPBMRESRBUNRSG-MRXNPFEDSA-N 2 1 298.471 2.161 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CS1 ZINC000655758613 415441673 /nfs/dbraw/zinc/44/16/73/415441673.db2.gz BQLLJEKHEMFAQB-ILXRZTDVSA-N 2 1 286.485 2.361 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655764565 415445539 /nfs/dbraw/zinc/44/55/39/415445539.db2.gz KWPGZXPEABAXRD-IIAWOOMASA-N 2 1 266.429 2.266 20 0 CEADMP CC1(C)SC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655766997 415448449 /nfs/dbraw/zinc/44/84/49/415448449.db2.gz WBMKSGRGOOTGJR-ZIAGYGMSSA-N 2 1 284.469 2.113 20 0 CEADMP Cc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccn1 ZINC000655772220 415450562 /nfs/dbraw/zinc/45/05/62/415450562.db2.gz DHAWEQPWEKOGSS-QGZVFWFLSA-N 2 1 289.423 2.123 20 0 CEADMP Cc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccn1 ZINC000655772219 415451150 /nfs/dbraw/zinc/45/11/50/415451150.db2.gz DHAWEQPWEKOGSS-KRWDZBQOSA-N 2 1 289.423 2.123 20 0 CEADMP CCC[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)OC ZINC000655771856 415452600 /nfs/dbraw/zinc/45/26/00/415452600.db2.gz PMNRHJVHXMVQIG-JKSUJKDBSA-N 2 1 284.444 2.035 20 0 CEADMP CC[C@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655779582 415457921 /nfs/dbraw/zinc/45/79/21/415457921.db2.gz OJCBPMYYZQTBMR-BHYGNILZSA-N 2 1 298.471 2.017 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H]1CCCCO1 ZINC000655848929 415516562 /nfs/dbraw/zinc/51/65/62/415516562.db2.gz LQCFTEMMDWJPMM-CABCVRRESA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCc2noc3ccccc32)C1 ZINC000655938267 415559022 /nfs/dbraw/zinc/55/90/22/415559022.db2.gz QKRAFUUEXHESKI-RYUDHWBXSA-N 2 1 259.353 2.039 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCc1noc2ccccc12 ZINC000655941525 415559601 /nfs/dbraw/zinc/55/96/01/415559601.db2.gz WFKNTOWYDLJODA-CQSZACIVSA-N 2 1 261.369 2.333 20 0 CEADMP C[N@@H+](CCCc1c(F)cccc1F)C1CC([NH3+])C1 ZINC000655940416 415560755 /nfs/dbraw/zinc/56/07/55/415560755.db2.gz ARGQHNZBOKAZDN-UHFFFAOYSA-N 2 1 254.324 2.319 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000655949197 415564049 /nfs/dbraw/zinc/56/40/49/415564049.db2.gz PGDUFRSOVSOIQC-UHFFFAOYSA-N 2 1 272.295 2.049 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000655949197 415564056 /nfs/dbraw/zinc/56/40/56/415564056.db2.gz PGDUFRSOVSOIQC-UHFFFAOYSA-N 2 1 272.295 2.049 20 0 CEADMP CC(C)C[C@@H](CN1CCCC1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656199076 415632828 /nfs/dbraw/zinc/63/28/28/415632828.db2.gz JXGORWKWTSAMHR-XHSDSOJGSA-N 2 1 267.461 2.356 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(N)c2)[C@H]2CCC[C@@H]21 ZINC000665233032 415633798 /nfs/dbraw/zinc/63/37/98/415633798.db2.gz ZOYLFUZDGKHAFN-PMPSAXMXSA-N 2 1 259.397 2.231 20 0 CEADMP CC(C)C[C@@H](CN1CCCC1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656199074 415633781 /nfs/dbraw/zinc/63/37/81/415633781.db2.gz JXGORWKWTSAMHR-OAGGEKHMSA-N 2 1 267.461 2.356 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C2CCC2)C1 ZINC000662044657 415596942 /nfs/dbraw/zinc/59/69/42/415596942.db2.gz RUSMMRQNJIPIJQ-JKSUJKDBSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662044657 415596947 /nfs/dbraw/zinc/59/69/47/415596947.db2.gz RUSMMRQNJIPIJQ-JKSUJKDBSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662044657 415596951 /nfs/dbraw/zinc/59/69/51/415596951.db2.gz RUSMMRQNJIPIJQ-JKSUJKDBSA-N 2 1 268.445 2.200 20 0 CEADMP C1C[N@@H+](C2CCCCC2)C[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000665268637 415660682 /nfs/dbraw/zinc/66/06/82/415660682.db2.gz SFWZSDFHTHCLIM-HZMVEIRTSA-N 3 1 291.483 2.371 20 0 CEADMP C1C[N@H+](C2CCCCC2)C[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000665268637 415660688 /nfs/dbraw/zinc/66/06/88/415660688.db2.gz SFWZSDFHTHCLIM-HZMVEIRTSA-N 3 1 291.483 2.371 20 0 CEADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000656256077 415663677 /nfs/dbraw/zinc/66/36/77/415663677.db2.gz RSHKELLEGICLJK-HZPDHXFCSA-N 2 1 296.418 2.140 20 0 CEADMP CCCCO[C@H]1C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1(C)C ZINC000665278366 415670608 /nfs/dbraw/zinc/67/06/08/415670608.db2.gz CBOCPQLHKSNNAH-WJEHIRDRSA-N 2 1 266.429 2.312 20 0 CEADMP Fc1cccc([C@H]2COCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000662221542 415691505 /nfs/dbraw/zinc/69/15/05/415691505.db2.gz ARHPKCPVPPMEDT-MRXNPFEDSA-N 2 1 278.371 2.199 20 0 CEADMP Fc1cccc([C@H]2COCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000662221542 415691510 /nfs/dbraw/zinc/69/15/10/415691510.db2.gz ARHPKCPVPPMEDT-MRXNPFEDSA-N 2 1 278.371 2.199 20 0 CEADMP Cc1cc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c(C)s1 ZINC000665291060 415680759 /nfs/dbraw/zinc/68/07/59/415680759.db2.gz SQPLDIJCXXHKKI-VIFPVBQESA-N 2 1 292.408 2.170 20 0 CEADMP CC1(C)C[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c2ccccc21 ZINC000665290510 415681407 /nfs/dbraw/zinc/68/14/07/415681407.db2.gz BUWBERBZKCMFPL-AWEZNQCLSA-N 2 1 298.390 2.153 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000665295820 415682659 /nfs/dbraw/zinc/68/26/59/415682659.db2.gz JTTFKTPOTWNBCE-POZPTJLLSA-N 2 1 287.407 2.017 20 0 CEADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000665297814 415686011 /nfs/dbraw/zinc/68/60/11/415686011.db2.gz MCWCDTJPOJRUPW-DNOWBOINSA-N 2 1 254.418 2.454 20 0 CEADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccco1 ZINC000070944380 176016603 /nfs/dbraw/zinc/01/66/03/176016603.db2.gz GNWORFFQLKRMRX-AWEZNQCLSA-N 2 1 295.427 2.119 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000071147575 176043077 /nfs/dbraw/zinc/04/30/77/176043077.db2.gz WVMQXPWSIHSHDB-ZDUSSCGKSA-N 2 1 255.365 2.276 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000071147361 176043256 /nfs/dbraw/zinc/04/32/56/176043256.db2.gz WLURABKQEAOWJG-GFCCVEGCSA-N 2 1 268.788 2.260 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000071147361 176043258 /nfs/dbraw/zinc/04/32/58/176043258.db2.gz WLURABKQEAOWJG-GFCCVEGCSA-N 2 1 268.788 2.260 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000071297816 176112491 /nfs/dbraw/zinc/11/24/91/176112491.db2.gz KTIWMGZDCSJPFL-AWEZNQCLSA-N 2 1 270.417 2.313 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2cnn3ccccc23)CC1 ZINC000071372756 176138358 /nfs/dbraw/zinc/13/83/58/176138358.db2.gz OXLCYNLLQAJUJM-UHFFFAOYSA-N 2 1 272.396 2.298 20 0 CEADMP C[N@@H+](CCNC(=O)Nc1cccc(C[NH3+])c1)C1CCCC1 ZINC000071379582 176143334 /nfs/dbraw/zinc/14/33/34/176143334.db2.gz RQFYRUXCMYRFRG-UHFFFAOYSA-N 2 1 290.411 2.141 20 0 CEADMP CCC(CC)[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251662 415716762 /nfs/dbraw/zinc/71/67/62/415716762.db2.gz DFLAGYFEVVJFIH-AWEZNQCLSA-N 2 1 252.402 2.160 20 0 CEADMP CC[N@@H+](CCc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253038 415717904 /nfs/dbraw/zinc/71/79/04/415717904.db2.gz SNPJBVNJMHMWDP-INIZCTEOSA-N 2 1 274.408 2.072 20 0 CEADMP CCOC[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662257105 415724907 /nfs/dbraw/zinc/72/49/07/415724907.db2.gz AITDCSXYHWUMPU-CQSZACIVSA-N 2 1 274.408 2.191 20 0 CEADMP c1c[nH]c([C@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000662261108 415728341 /nfs/dbraw/zinc/72/83/41/415728341.db2.gz UKEOHTKDGHGURF-INIZCTEOSA-N 2 1 296.418 2.435 20 0 CEADMP CC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCC[NH2+]CC1 ZINC000662266263 415731825 /nfs/dbraw/zinc/73/18/25/415731825.db2.gz GGZUHIUAXSCKCX-KRWDZBQOSA-N 3 1 287.451 2.296 20 0 CEADMP COc1cccc(SCC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000662245559 415707928 /nfs/dbraw/zinc/70/79/28/415707928.db2.gz SFCSZZSJSXPJQB-IUODEOHRSA-N 2 1 280.437 2.456 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCCCC1 ZINC000662248938 415710465 /nfs/dbraw/zinc/71/04/65/415710465.db2.gz LZOQMCYLPUHKKA-CQSZACIVSA-N 2 1 252.402 2.162 20 0 CEADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250192 415711580 /nfs/dbraw/zinc/71/15/80/415711580.db2.gz AGRHETNENDOAIE-YPMHNXCESA-N 2 1 296.361 2.479 20 0 CEADMP c1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248419 415712984 /nfs/dbraw/zinc/71/29/84/415712984.db2.gz AXKIRVNTUVHEFC-HOTGVXAUSA-N 2 1 272.392 2.345 20 0 CEADMP c1ccc(C[C@@H]2CC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662251168 415714503 /nfs/dbraw/zinc/71/45/03/415714503.db2.gz AIUBHNQHNHUMKY-IRXDYDNUSA-N 2 1 286.419 2.072 20 0 CEADMP CO[C@H](C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C1CCCC1 ZINC000662278520 415745595 /nfs/dbraw/zinc/74/55/95/415745595.db2.gz ZCTLQASJCNXYSV-CTHBEMJXSA-N 2 1 254.418 2.168 20 0 CEADMP CC1(C)C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)Cc2ccccc21 ZINC000662277006 415746635 /nfs/dbraw/zinc/74/66/35/415746635.db2.gz MYQFEBJQZAEJIJ-HNNXBMFYSA-N 2 1 286.419 2.301 20 0 CEADMP Cc1nc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cs1 ZINC000662277757 415747386 /nfs/dbraw/zinc/74/73/86/415747386.db2.gz UCIMVOKARXXVEY-GXTWGEPZSA-N 2 1 293.436 2.109 20 0 CEADMP Cc1nc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cs1 ZINC000662277757 415747389 /nfs/dbraw/zinc/74/73/89/415747389.db2.gz UCIMVOKARXXVEY-GXTWGEPZSA-N 2 1 293.436 2.109 20 0 CEADMP Cc1noc([C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662296829 415760331 /nfs/dbraw/zinc/76/03/31/415760331.db2.gz NPHRBFLPUSEHEB-RISCZKNCSA-N 2 1 278.400 2.151 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H]1CCO ZINC000662303554 415765058 /nfs/dbraw/zinc/76/50/58/415765058.db2.gz WWVWQUROXFKXNK-RDTXWAMCSA-N 2 1 288.435 2.315 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)[C@@H]1CCO ZINC000662301634 415766165 /nfs/dbraw/zinc/76/61/65/415766165.db2.gz FZJBAOPNHQDAQS-GOEBONIOSA-N 2 1 268.445 2.249 20 0 CEADMP CC1(C)CC[N@@H+](CCN2CC[NH2+]CC2)CC(C)(C)C1 ZINC000662307155 415767839 /nfs/dbraw/zinc/76/78/39/415767839.db2.gz UVDLDNCNOSSTKN-UHFFFAOYSA-N 2 1 267.461 2.040 20 0 CEADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000662307067 415768373 /nfs/dbraw/zinc/76/83/73/415768373.db2.gz UISRJXGZEJRNCU-HOTGVXAUSA-N 2 1 278.440 2.410 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659910432 415777944 /nfs/dbraw/zinc/77/79/44/415777944.db2.gz QONHCWZQGGZQTO-XMTFNYHQSA-N 2 1 291.483 2.134 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H]1CC[NH3+] ZINC000662287141 415755065 /nfs/dbraw/zinc/75/50/65/415755065.db2.gz WTVMQHXEZOZUEM-KSSFIOAISA-N 3 1 287.451 2.282 20 0 CEADMP CCc1nnc([C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)[nH]1 ZINC000659878392 415757216 /nfs/dbraw/zinc/75/72/16/415757216.db2.gz ZQPKLPBCPYGPNH-CYBMUJFWSA-N 2 1 293.459 2.480 20 0 CEADMP CCc1nnc([C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)[nH]1 ZINC000659878392 415757218 /nfs/dbraw/zinc/75/72/18/415757218.db2.gz ZQPKLPBCPYGPNH-CYBMUJFWSA-N 2 1 293.459 2.480 20 0 CEADMP Cc1cccc(C)c1[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000662295919 415757949 /nfs/dbraw/zinc/75/79/49/415757949.db2.gz NYDVSIZMDXWGFB-QGZVFWFLSA-N 2 1 287.451 2.346 20 0 CEADMP CC(C)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327662 415783986 /nfs/dbraw/zinc/78/39/86/415783986.db2.gz KKLBKACNVNUNIV-UHFFFAOYSA-N 2 1 276.428 2.465 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)C1CCCC1 ZINC000659926137 415784788 /nfs/dbraw/zinc/78/47/88/415784788.db2.gz LYCVPIBENGIODB-HIFRSBDPSA-N 2 1 254.418 2.075 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3c(n2)CCC3)C1 ZINC000656622226 415789274 /nfs/dbraw/zinc/78/92/74/415789274.db2.gz HKKGVXFNZMKUAZ-CRAIPNDOSA-N 2 1 285.435 2.486 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3c(n2)CCC3)C1 ZINC000656622226 415789281 /nfs/dbraw/zinc/78/92/81/415789281.db2.gz HKKGVXFNZMKUAZ-CRAIPNDOSA-N 2 1 285.435 2.486 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3c(n2)CCC3)C1 ZINC000656622226 415789289 /nfs/dbraw/zinc/78/92/89/415789289.db2.gz HKKGVXFNZMKUAZ-CRAIPNDOSA-N 2 1 285.435 2.486 20 0 CEADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)nc(C)n1 ZINC000660013313 415850596 /nfs/dbraw/zinc/85/05/96/415850596.db2.gz VSGPQWXKRUUETO-HOCLYGCPSA-N 2 1 274.412 2.010 20 0 CEADMP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)nc(C)n1 ZINC000660013313 415850600 /nfs/dbraw/zinc/85/06/00/415850600.db2.gz VSGPQWXKRUUETO-HOCLYGCPSA-N 2 1 274.412 2.010 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)nc(C)n1 ZINC000660013313 415850604 /nfs/dbraw/zinc/85/06/04/415850604.db2.gz VSGPQWXKRUUETO-HOCLYGCPSA-N 2 1 274.412 2.010 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)nc(C)n1 ZINC000660013313 415850611 /nfs/dbraw/zinc/85/06/11/415850611.db2.gz VSGPQWXKRUUETO-HOCLYGCPSA-N 2 1 274.412 2.010 20 0 CEADMP C[C@@H]1C[C@@H](C)C[NH+](CCN(C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000659949287 415800395 /nfs/dbraw/zinc/80/03/95/415800395.db2.gz SIFYFWSZLMLQOI-BRWVUGGUSA-N 2 1 281.488 2.238 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000662403147 415826256 /nfs/dbraw/zinc/82/62/56/415826256.db2.gz JLBURUXTOXGJSH-OAGGEKHMSA-N 2 1 297.487 2.234 20 0 CEADMP CC(C)CNC(=O)CCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000660064616 415868173 /nfs/dbraw/zinc/86/81/73/415868173.db2.gz SSUMVZBAEXXICQ-UHFFFAOYSA-N 2 1 283.460 2.001 20 0 CEADMP CN(CC(C)(C)[NH3+])C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000662611004 415902970 /nfs/dbraw/zinc/90/29/70/415902970.db2.gz VOXMPGCWYNLTHU-ZDUSSCGKSA-N 2 1 297.830 2.138 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000662622734 415908339 /nfs/dbraw/zinc/90/83/39/415908339.db2.gz TVHLJCYATSECQF-LSDHHAIUSA-N 2 1 289.423 2.066 20 0 CEADMP CCn1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656785182 415859423 /nfs/dbraw/zinc/85/94/23/415859423.db2.gz KGKYUPBXVYCQFY-MRXNPFEDSA-N 2 1 276.428 2.115 20 0 CEADMP Clc1ccccc1N1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000656787875 415862073 /nfs/dbraw/zinc/86/20/73/415862073.db2.gz XZAZRTGZHAWFOO-QWHCGFSZSA-N 2 1 279.815 2.118 20 0 CEADMP COCCOc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000656788139 415862657 /nfs/dbraw/zinc/86/26/57/415862657.db2.gz DBSGCFWBTDOCGW-UHFFFAOYSA-N 2 1 278.396 2.073 20 0 CEADMP Cc1ccc2ncc(C[NH2+]CC3([NH3+])CCCC3)n2c1 ZINC000656789756 415865058 /nfs/dbraw/zinc/86/50/58/415865058.db2.gz XIUBXTHSEFBOMO-UHFFFAOYSA-N 2 1 258.369 2.004 20 0 CEADMP Cc1nc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000076869422 177124984 /nfs/dbraw/zinc/12/49/84/177124984.db2.gz SPCXMCRUOLRBOQ-LBPRGKRZSA-N 2 1 253.415 2.191 20 0 CEADMP Cc1nc(C)c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000076869422 177124985 /nfs/dbraw/zinc/12/49/85/177124985.db2.gz SPCXMCRUOLRBOQ-LBPRGKRZSA-N 2 1 253.415 2.191 20 0 CEADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000566737248 299019079 /nfs/dbraw/zinc/01/90/79/299019079.db2.gz FVYJQKXTWKCKKZ-JSGCOSHPSA-N 2 1 285.391 2.413 20 0 CEADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000566737248 299019082 /nfs/dbraw/zinc/01/90/82/299019082.db2.gz FVYJQKXTWKCKKZ-JSGCOSHPSA-N 2 1 285.391 2.413 20 0 CEADMP COC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192927674 227387462 /nfs/dbraw/zinc/38/74/62/227387462.db2.gz YBUKCHSMKOLPFZ-ZBFHGGJFSA-N 2 1 262.397 2.133 20 0 CEADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1O ZINC000666770616 419424023 /nfs/dbraw/zinc/42/40/23/419424023.db2.gz NAPGPNHFLMNNGS-HIFRSBDPSA-N 2 1 292.423 2.454 20 0 CEADMP CCn1nc(C[NH2+][C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC000666857715 419449380 /nfs/dbraw/zinc/44/93/80/419449380.db2.gz GGKPSRNPTRNGNL-ZDUSSCGKSA-N 2 1 272.396 2.288 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000666886281 419458541 /nfs/dbraw/zinc/45/85/41/419458541.db2.gz IWWHXWGLXMIYQT-GUTXKFCHSA-N 2 1 260.381 2.283 20 0 CEADMP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1CC[NH+](C)CC1 ZINC000667597666 419725374 /nfs/dbraw/zinc/72/53/74/419725374.db2.gz VVIGZIQGMDTMBI-UHFFFAOYSA-N 3 1 299.422 2.041 20 0 CEADMP C[N@@H+](Cc1ccnn1-c1ccncc1)CC1CC[NH+](C)CC1 ZINC000667597666 419725401 /nfs/dbraw/zinc/72/54/01/419725401.db2.gz VVIGZIQGMDTMBI-UHFFFAOYSA-N 2 1 299.422 2.041 20 0 CEADMP C[N@H+](Cc1ccnn1-c1ccncc1)CC1CC[NH+](C)CC1 ZINC000667597666 419725407 /nfs/dbraw/zinc/72/54/07/419725407.db2.gz VVIGZIQGMDTMBI-UHFFFAOYSA-N 2 1 299.422 2.041 20 0 CEADMP Cc1[nH+]cc(CN2CC=C(C(F)(F)F)CC2)n1C ZINC000667666292 419766748 /nfs/dbraw/zinc/76/67/48/419766748.db2.gz ILAKCFYURUMHGR-UHFFFAOYSA-N 2 1 259.275 2.423 20 0 CEADMP CCCn1nccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000667597478 419724543 /nfs/dbraw/zinc/72/45/43/419724543.db2.gz OANJBLJPROEPBJ-UHFFFAOYSA-N 2 1 264.417 2.067 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000521371891 260089538 /nfs/dbraw/zinc/08/95/38/260089538.db2.gz OXEBRAXGDWVNSU-JYJNAYRXSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000521371891 260089539 /nfs/dbraw/zinc/08/95/39/260089539.db2.gz OXEBRAXGDWVNSU-JYJNAYRXSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@@H+](CCNC(=O)C[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000427276885 260582072 /nfs/dbraw/zinc/58/20/72/260582072.db2.gz QJPOMNLWFMFWOQ-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](CC)C(=O)OC)CC1 ZINC000194741385 262242138 /nfs/dbraw/zinc/24/21/38/262242138.db2.gz LUYGZJDHBRROBC-OAHLLOKOSA-N 2 1 284.444 2.382 20 0 CEADMP C[NH+](C)CC1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000340289857 263105182 /nfs/dbraw/zinc/10/51/82/263105182.db2.gz ZPSLBVMPIOLVLB-UHFFFAOYSA-N 2 1 289.467 2.392 20 0 CEADMP C[NH+](C)CC1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000340289857 263105183 /nfs/dbraw/zinc/10/51/83/263105183.db2.gz ZPSLBVMPIOLVLB-UHFFFAOYSA-N 2 1 289.467 2.392 20 0 CEADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCCC1 ZINC000453359612 263250092 /nfs/dbraw/zinc/25/00/92/263250092.db2.gz AMHHKWCBRYTGGA-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000430584442 263324867 /nfs/dbraw/zinc/32/48/67/263324867.db2.gz YZNUZGSWJHBEPJ-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000430584442 263324869 /nfs/dbraw/zinc/32/48/69/263324869.db2.gz YZNUZGSWJHBEPJ-ZBFHGGJFSA-N 2 1 295.471 2.132 20 0 CEADMP CS[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000425363214 264135742 /nfs/dbraw/zinc/13/57/42/264135742.db2.gz WEWFGLSFRFHLCD-LSDHHAIUSA-N 2 1 286.485 2.359 20 0 CEADMP CC(C)CCOCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397386249 270353409 /nfs/dbraw/zinc/35/34/09/270353409.db2.gz MADRRPHNTUWQMC-KKUMJFAQSA-N 2 1 256.434 2.354 20 0 CEADMP CO[C@](C)([C@@H](C)[NH2+]CCCc1c[nH+]cn1C)C1CC1 ZINC000520425309 265815310 /nfs/dbraw/zinc/81/53/10/265815310.db2.gz RBXHUOKMSXYYJQ-IUODEOHRSA-N 2 1 265.401 2.146 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000044532752 270229555 /nfs/dbraw/zinc/22/95/55/270229555.db2.gz ILYPZJFLMJJOOU-WMLDXEAASA-N 2 1 258.409 2.475 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H](c2ccco2)[NH+]2CCCC2)CC[N@H+]1C ZINC000227296744 270310754 /nfs/dbraw/zinc/31/07/54/270310754.db2.gz ZLCVQUGWONCZIF-OWCLPIDISA-N 2 1 291.439 2.489 20 0 CEADMP C[C@@H]1C[C@@H](NCCC[NH2+]C2CC2)C[N@H+]1Cc1ccccc1 ZINC000398022102 270356076 /nfs/dbraw/zinc/35/60/76/270356076.db2.gz IJLOHKRJONBHAH-CRAIPNDOSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1C[C@H](NCCC[NH2+]C2CC2)C[N@H+]1Cc1ccccc1 ZINC000398022107 270356193 /nfs/dbraw/zinc/35/61/93/270356193.db2.gz IJLOHKRJONBHAH-QAPCUYQASA-N 2 1 287.451 2.381 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1ccc(Br)s1)C1CC1 ZINC000399238714 270367486 /nfs/dbraw/zinc/36/74/86/270367486.db2.gz FXHONRRDWRGBBS-VIFPVBQESA-N 2 1 275.215 2.338 20 0 CEADMP c1cc2[nH+]ccc(N3CC[C@@H]4C[NH2+]C[C@H]4C3)c2s1 ZINC000420264809 270498169 /nfs/dbraw/zinc/49/81/69/270498169.db2.gz UUKXCEKUQCWAPO-MNOVXSKESA-N 2 1 259.378 2.342 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422780647 270764827 /nfs/dbraw/zinc/76/48/27/270764827.db2.gz JQRJVAFMNXYIGM-UHFFFAOYSA-N 3 1 264.417 2.079 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422816808 270782029 /nfs/dbraw/zinc/78/20/29/270782029.db2.gz BNAOFVHMOQTGSF-OCCSQVGLSA-N 2 1 290.407 2.281 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000423293610 270890994 /nfs/dbraw/zinc/89/09/94/270890994.db2.gz AHEBMIFWJPSHAR-TZMCWYRMSA-N 2 1 265.401 2.128 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000423302649 270892702 /nfs/dbraw/zinc/89/27/02/270892702.db2.gz HPWMKDKSJRMRNO-STQMWFEESA-N 2 1 272.396 2.333 20 0 CEADMP COCCc1nc(C)c([C@H](C)[NH2+]CC2([NH3+])CCC2)s1 ZINC000423341960 270900556 /nfs/dbraw/zinc/90/05/56/270900556.db2.gz YLIUUWGEROGWFD-JTQLQIEISA-N 2 1 283.441 2.172 20 0 CEADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000424133291 271021580 /nfs/dbraw/zinc/02/15/80/271021580.db2.gz LQGUIFQWPWTGJV-MAZHCROVSA-N 2 1 287.407 2.347 20 0 CEADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC000424273500 271037629 /nfs/dbraw/zinc/03/76/29/271037629.db2.gz XBBBQGQZDYHIAN-PLAPLOCASA-N 2 1 277.412 2.375 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424292009 271041310 /nfs/dbraw/zinc/04/13/10/271041310.db2.gz NXECPQUNWCCENF-OAHLLOKOSA-N 3 1 267.461 2.182 20 0 CEADMP CN(C[C@H](C[NH3+])c1ccc(F)cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000424306822 271042736 /nfs/dbraw/zinc/04/27/36/271042736.db2.gz WBYADUKERJIPRO-WMLDXEAASA-N 2 1 291.414 2.037 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000424321617 271045927 /nfs/dbraw/zinc/04/59/27/271045927.db2.gz UVTNSEOKFOHWCI-WLYUNCDWSA-N 2 1 282.428 2.038 20 0 CEADMP C[C@H]1CN(CC[C@H]2CCC[N@H+]2C)CC[NH+](C2CCC2)C1 ZINC000429398286 271328759 /nfs/dbraw/zinc/32/87/59/271328759.db2.gz HJBWVMKIZSBQRY-JKSUJKDBSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@@H+](C2CCC2)C1 ZINC000429398286 271328762 /nfs/dbraw/zinc/32/87/62/271328762.db2.gz HJBWVMKIZSBQRY-JKSUJKDBSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@H+](C2CCC2)C1 ZINC000429398286 271328766 /nfs/dbraw/zinc/32/87/66/271328766.db2.gz HJBWVMKIZSBQRY-JKSUJKDBSA-N 2 1 279.472 2.277 20 0 CEADMP COc1ccc(OCCC[N@@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000430561452 271390520 /nfs/dbraw/zinc/39/05/20/271390520.db2.gz LSDZVVXCYUMGIU-UHFFFAOYSA-N 2 1 280.412 2.381 20 0 CEADMP COc1cccc(CCC[NH2+][C@](C)(C[NH3+])C2CC2)c1 ZINC000430558360 271391047 /nfs/dbraw/zinc/39/10/47/271391047.db2.gz ABNIKXKTTYETKD-MRXNPFEDSA-N 2 1 262.397 2.345 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)c2ccccc2)C1 ZINC000430591229 271395948 /nfs/dbraw/zinc/39/59/48/271395948.db2.gz NNMDHPHZQCXXDY-SOUVJXGZSA-N 2 1 289.423 2.097 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)c2ccccc2)C1 ZINC000430591229 271395952 /nfs/dbraw/zinc/39/59/52/271395952.db2.gz NNMDHPHZQCXXDY-SOUVJXGZSA-N 2 1 289.423 2.097 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430587769 271396160 /nfs/dbraw/zinc/39/61/60/271396160.db2.gz AHMXLHBJBHEDEA-OCCSQVGLSA-N 2 1 284.407 2.497 20 0 CEADMP C[C@@](C[NH3+])([NH2+]CCC(=O)Nc1ccccc1Cl)C1CC1 ZINC000430592218 271396902 /nfs/dbraw/zinc/39/69/02/271396902.db2.gz PSNXBABUTAQISU-HNNXBMFYSA-N 2 1 295.814 2.386 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000430599580 271398359 /nfs/dbraw/zinc/39/83/59/271398359.db2.gz WGOUATMARUNUFK-HOCLYGCPSA-N 2 1 297.487 2.377 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000430599580 271398363 /nfs/dbraw/zinc/39/83/63/271398363.db2.gz WGOUATMARUNUFK-HOCLYGCPSA-N 2 1 297.487 2.377 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000111695749 274088508 /nfs/dbraw/zinc/08/85/08/274088508.db2.gz NGRBNRWBMDSMRL-ZIAGYGMSSA-N 2 1 277.412 2.266 20 0 CEADMP COc1c(C)cnc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000111695749 274088509 /nfs/dbraw/zinc/08/85/09/274088509.db2.gz NGRBNRWBMDSMRL-ZIAGYGMSSA-N 2 1 277.412 2.266 20 0 CEADMP COc1c(C)cnc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000111695749 274088510 /nfs/dbraw/zinc/08/85/10/274088510.db2.gz NGRBNRWBMDSMRL-ZIAGYGMSSA-N 2 1 277.412 2.266 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C2 ZINC000414180533 274154227 /nfs/dbraw/zinc/15/42/27/274154227.db2.gz LLKWKPMIVMRFDX-TZDHZFECSA-N 2 1 288.435 2.481 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000253284545 274335842 /nfs/dbraw/zinc/33/58/42/274335842.db2.gz MZARUTPMPNRUJY-VNHYZAJKSA-N 2 1 260.381 2.092 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(OC)CC1 ZINC000353987557 276008879 /nfs/dbraw/zinc/00/88/79/276008879.db2.gz PNRSLBMMSNOVFJ-SHARSMKWSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(OC)CC1 ZINC000353987557 276008881 /nfs/dbraw/zinc/00/88/81/276008881.db2.gz PNRSLBMMSNOVFJ-SHARSMKWSA-N 2 1 254.418 2.408 20 0 CEADMP CC1CCN(C(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)CC1 ZINC000352519683 276193622 /nfs/dbraw/zinc/19/36/22/276193622.db2.gz QTLHEWBHYZKVFX-UHFFFAOYSA-N 2 1 295.471 2.086 20 0 CEADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCOCC1 ZINC000336796029 276219602 /nfs/dbraw/zinc/21/96/02/276219602.db2.gz OWTKTSYFXJJJEY-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353987331 276260784 /nfs/dbraw/zinc/26/07/84/276260784.db2.gz OTOLRDUTPUGZSU-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353987331 276260785 /nfs/dbraw/zinc/26/07/85/276260785.db2.gz OTOLRDUTPUGZSU-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353987331 276260786 /nfs/dbraw/zinc/26/07/86/276260786.db2.gz OTOLRDUTPUGZSU-YYIAUSFCSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094371390 276331413 /nfs/dbraw/zinc/33/14/13/276331413.db2.gz SZWQDRIMULUVGC-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@]2(C1)CCCOC2 ZINC000341990054 277046534 /nfs/dbraw/zinc/04/65/34/277046534.db2.gz LKNNJWJHHZIXOT-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341990054 277046536 /nfs/dbraw/zinc/04/65/36/277046536.db2.gz LKNNJWJHHZIXOT-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000341990054 277046537 /nfs/dbraw/zinc/04/65/37/277046537.db2.gz LKNNJWJHHZIXOT-HOTGVXAUSA-N 2 1 266.429 2.363 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000070148698 277074148 /nfs/dbraw/zinc/07/41/48/277074148.db2.gz QZEVGRVEMUSOQJ-INIZCTEOSA-N 2 1 275.396 2.348 20 0 CEADMP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000355740243 277143232 /nfs/dbraw/zinc/14/32/32/277143232.db2.gz YRKZKZPEJAPBIB-KFWWJZLASA-N 2 1 268.445 2.390 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000335172574 277159239 /nfs/dbraw/zinc/15/92/39/277159239.db2.gz ZJBQGSLDWDBFNZ-GOEBONIOSA-N 2 1 266.429 2.146 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000335172574 277159240 /nfs/dbraw/zinc/15/92/40/277159240.db2.gz ZJBQGSLDWDBFNZ-GOEBONIOSA-N 2 1 266.429 2.146 20 0 CEADMP C[NH2+]CCCN[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000414856424 277268735 /nfs/dbraw/zinc/26/87/35/277268735.db2.gz ABWTZQIIMBHGFN-GDBMZVCRSA-N 2 1 261.413 2.021 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000360686556 277366118 /nfs/dbraw/zinc/36/61/18/277366118.db2.gz XITSGEIKXCUNHS-JYJNAYRXSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000360686556 277366119 /nfs/dbraw/zinc/36/61/19/277366119.db2.gz XITSGEIKXCUNHS-JYJNAYRXSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)CC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000360686556 277366120 /nfs/dbraw/zinc/36/61/20/277366120.db2.gz XITSGEIKXCUNHS-JYJNAYRXSA-N 2 1 268.445 2.200 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CCO1 ZINC000352619133 278010144 /nfs/dbraw/zinc/01/01/44/278010144.db2.gz ZGNJRSNVMKJDSC-TUVASFSCSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CCO1 ZINC000352619133 278010146 /nfs/dbraw/zinc/01/01/46/278010146.db2.gz ZGNJRSNVMKJDSC-TUVASFSCSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H](C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)CCO1 ZINC000352619133 278010148 /nfs/dbraw/zinc/01/01/48/278010148.db2.gz ZGNJRSNVMKJDSC-TUVASFSCSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H](C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000352619133 278010149 /nfs/dbraw/zinc/01/01/49/278010149.db2.gz ZGNJRSNVMKJDSC-TUVASFSCSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)CC[N@H+]1C ZINC000344123894 278027273 /nfs/dbraw/zinc/02/72/73/278027273.db2.gz FXVQTMZITAJBHM-MIGQKNRLSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)CC[N@@H+]1C ZINC000359073791 278027526 /nfs/dbraw/zinc/02/75/26/278027526.db2.gz WELHVCRRHXKEDO-MGPQQGTHSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)CC[N@H+]1C ZINC000359073791 278027529 /nfs/dbraw/zinc/02/75/29/278027529.db2.gz WELHVCRRHXKEDO-MGPQQGTHSA-N 2 1 256.434 2.246 20 0 CEADMP CC(=O)NC1CCC([NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000248867874 278088737 /nfs/dbraw/zinc/08/87/37/278088737.db2.gz QHNZEFBPZUKICW-JCAIJIATSA-N 2 1 295.471 2.144 20 0 CEADMP CC(=O)NC1CCC([NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000248867874 278088738 /nfs/dbraw/zinc/08/87/38/278088738.db2.gz QHNZEFBPZUKICW-JCAIJIATSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)n1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414782843 278127516 /nfs/dbraw/zinc/12/75/16/278127516.db2.gz PCZFPEKUXYNWKQ-HZPDHXFCSA-N 2 1 276.428 2.286 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)c1cnn(C)c1)C[NH+]1CCCCC1 ZINC000044499877 278208936 /nfs/dbraw/zinc/20/89/36/278208936.db2.gz VHKAHRWNQWHVAD-KGLIPLIRSA-N 2 1 264.417 2.193 20 0 CEADMP CC1(C)CCC[C@]1(O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000354151529 278249485 /nfs/dbraw/zinc/24/94/85/278249485.db2.gz XRSAZTOIPMKGRH-LZWOXQAQSA-N 2 1 266.429 2.144 20 0 CEADMP CC(C)(C)[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000130213420 278342274 /nfs/dbraw/zinc/34/22/74/278342274.db2.gz FWYRYZGYMQFIJC-JKSUJKDBSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)[C@@H]1CC[NH2+]C1 ZINC000415113949 278365571 /nfs/dbraw/zinc/36/55/71/278365571.db2.gz SGIJKVNATTURQV-OUAUKWLOSA-N 2 1 265.426 2.280 20 0 CEADMP CC[C@H]([NH2+]C[C@H](C)[NH+](CC)CC)C1(C(=O)OC)CCC1 ZINC000359026747 288047798 /nfs/dbraw/zinc/04/77/98/288047798.db2.gz FELVTSRMIOFSIY-KBPBESRZSA-N 2 1 284.444 2.428 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCOC1 ZINC000305251282 288070239 /nfs/dbraw/zinc/07/02/39/288070239.db2.gz WYOFVMZCMLWWFW-XGUBFFRZSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000300240757 288105868 /nfs/dbraw/zinc/10/58/68/288105868.db2.gz VRZZYJSHWAJRLL-RBSFLKMASA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000300240757 288105869 /nfs/dbraw/zinc/10/58/69/288105869.db2.gz VRZZYJSHWAJRLL-RBSFLKMASA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000358298853 288106956 /nfs/dbraw/zinc/10/69/56/288106956.db2.gz MGLRSMIDHKAHAO-KLHDSHLOSA-N 2 1 296.455 2.033 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335653286 279278423 /nfs/dbraw/zinc/27/84/23/279278423.db2.gz FZCRFWFKZRQIRE-HNNXBMFYSA-N 2 1 273.380 2.103 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250384592 279314635 /nfs/dbraw/zinc/31/46/35/279314635.db2.gz XIDWZQWKLUKCOK-YYIAUSFCSA-N 2 1 279.472 2.371 20 0 CEADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250384592 279314636 /nfs/dbraw/zinc/31/46/36/279314636.db2.gz XIDWZQWKLUKCOK-YYIAUSFCSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCc2n[nH]cc21)C[NH+]1CCCCC1 ZINC000367625490 279352730 /nfs/dbraw/zinc/35/27/30/279352730.db2.gz YIYUDNCRYDNMML-HIFRSBDPSA-N 2 1 276.428 2.499 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CC[NH2+]C(C)(C)C)C[C@@H]1C ZINC000414743747 279398175 /nfs/dbraw/zinc/39/81/75/279398175.db2.gz OQNNZCNJIWVDSC-UONOGXRCSA-N 2 1 255.450 2.179 20 0 CEADMP C[C@@H]1C[N@@H+](CC2(C)CCC2)CCN1C1CC[NH+](C)CC1 ZINC000335771368 288148708 /nfs/dbraw/zinc/14/87/08/288148708.db2.gz RKQBNPVEMICKJW-OAHLLOKOSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@@H]1CN(CC[N@@H+](C)Cc2ccccc2)C[C@H](C)[NH+]1C ZINC000296754920 288167431 /nfs/dbraw/zinc/16/74/31/288167431.db2.gz PYXKHXLNHRRTBR-IYBDPMFKSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@@H]1CN(CC[NH+](C)Cc2ccccc2)C[C@H](C)[N@H+]1C ZINC000296754920 288167435 /nfs/dbraw/zinc/16/74/35/288167435.db2.gz PYXKHXLNHRRTBR-IYBDPMFKSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@@H]1CN(CC[NH+](C)Cc2ccccc2)C[C@H](C)[N@@H+]1C ZINC000296754920 288167437 /nfs/dbraw/zinc/16/74/37/288167437.db2.gz PYXKHXLNHRRTBR-IYBDPMFKSA-N 2 1 275.440 2.143 20 0 CEADMP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CC2(CCOCC2)O1 ZINC000369376320 288182279 /nfs/dbraw/zinc/18/22/79/288182279.db2.gz UNSLQWQOBVUJIH-CVEARBPZSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC2(CCOCC2)O1 ZINC000369376320 288182280 /nfs/dbraw/zinc/18/22/80/288182280.db2.gz UNSLQWQOBVUJIH-CVEARBPZSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC2(CCOCC2)O1 ZINC000369376320 288182282 /nfs/dbraw/zinc/18/22/82/288182282.db2.gz UNSLQWQOBVUJIH-CVEARBPZSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CC2(CCOCC2)O1 ZINC000369376320 288182284 /nfs/dbraw/zinc/18/22/84/288182284.db2.gz UNSLQWQOBVUJIH-CVEARBPZSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@@H](Cn1cccn1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000137960147 280070060 /nfs/dbraw/zinc/07/00/60/280070060.db2.gz VOMMNCFSHRKTGD-GJZGRUSLSA-N 2 1 264.417 2.126 20 0 CEADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)[C@@H]1CCCO1 ZINC000189425387 280148983 /nfs/dbraw/zinc/14/89/83/280148983.db2.gz MDZSBZFXJZOOIO-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP CC(C)[C@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000359849421 280254670 /nfs/dbraw/zinc/25/46/70/280254670.db2.gz CUHHCMOBEWSUQJ-XHSDSOJGSA-N 2 1 267.461 2.037 20 0 CEADMP CN(CC[N@@H+](C)[C@@H]1C=CCCC1)C1CC[NH+](C)CC1 ZINC000245947631 280268121 /nfs/dbraw/zinc/26/81/21/280268121.db2.gz BQWZHFGNZXRGQN-OAHLLOKOSA-N 2 1 265.445 2.053 20 0 CEADMP CC1CC[NH+](CCN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246660703 280305639 /nfs/dbraw/zinc/30/56/39/280305639.db2.gz LRAFPQCOAUEEMU-HOTGVXAUSA-N 2 1 267.461 2.133 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000189080667 280402925 /nfs/dbraw/zinc/40/29/25/280402925.db2.gz NZZFNLKOEUQOKY-HNNXBMFYSA-N 2 1 266.429 2.146 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422873004 280942884 /nfs/dbraw/zinc/94/28/84/280942884.db2.gz JLYVAWQMSZPTMY-ABFRBSLYSA-N 2 1 276.424 2.271 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c(F)c1 ZINC000422928446 280969798 /nfs/dbraw/zinc/96/97/98/280969798.db2.gz KPOUKJTYTNVVGP-IAQYHMDHSA-N 2 1 266.360 2.312 20 0 CEADMP C[C@@H]([NH2+]Cc1ccnc(OC2CCCCC2)c1)C1C[NH2+]C1 ZINC000422973623 280981138 /nfs/dbraw/zinc/98/11/38/280981138.db2.gz PAKWCIHPYQEOGJ-CYBMUJFWSA-N 2 1 289.423 2.491 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)C1C[NH2+]C1 ZINC000423014444 280996216 /nfs/dbraw/zinc/99/62/16/280996216.db2.gz PBAVTDCQIFHEBB-KGLIPLIRSA-N 2 1 284.407 2.190 20 0 CEADMP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423424984 281037668 /nfs/dbraw/zinc/03/76/68/281037668.db2.gz GFOLSYZUIGURKQ-RFQIPJPRSA-N 2 1 293.208 2.244 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000423495781 281055352 /nfs/dbraw/zinc/05/53/52/281055352.db2.gz CQABOQKXCKYWJO-XYPHTWIQSA-N 2 1 275.440 2.179 20 0 CEADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423516053 281060686 /nfs/dbraw/zinc/06/06/86/281060686.db2.gz NISIFQKHPRKQME-XJKSGUPXSA-N 2 1 262.397 2.278 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(C)cc1 ZINC000423530220 281063574 /nfs/dbraw/zinc/06/35/74/281063574.db2.gz YLYAWPDHSIQQIS-HOTGVXAUSA-N 2 1 262.397 2.414 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000423805124 281098919 /nfs/dbraw/zinc/09/89/19/281098919.db2.gz SGDRHJYWUYLHDF-HZPDHXFCSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)n1cncc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000424147592 281122413 /nfs/dbraw/zinc/12/24/13/281122413.db2.gz RTHFJYZGUNTKFE-KGLIPLIRSA-N 2 1 264.417 2.426 20 0 CEADMP C[N@@H+](CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1)C1CC1 ZINC000424158668 281125096 /nfs/dbraw/zinc/12/50/96/281125096.db2.gz RRMJBQGEXQYGPR-HNNXBMFYSA-N 2 1 295.471 2.275 20 0 CEADMP CN(C[C@H](C[NH3+])c1ccc(F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000424277993 281143133 /nfs/dbraw/zinc/14/31/33/281143133.db2.gz COEKNCLWRWIPTJ-ZBFHGGJFSA-N 2 1 293.430 2.142 20 0 CEADMP Cc1cccc2c1CC[C@@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000360335199 281270237 /nfs/dbraw/zinc/27/02/37/281270237.db2.gz FVOHRDARIFKQBA-SFHVURJKSA-N 2 1 288.435 2.419 20 0 CEADMP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C2 ZINC000353485629 281299113 /nfs/dbraw/zinc/29/91/13/281299113.db2.gz UNVHECPFHMMRHO-NUEKZKHPSA-N 2 1 274.408 2.228 20 0 CEADMP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C2 ZINC000353485629 281299114 /nfs/dbraw/zinc/29/91/14/281299114.db2.gz UNVHECPFHMMRHO-NUEKZKHPSA-N 2 1 274.408 2.228 20 0 CEADMP COC1(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CCCC1 ZINC000432789268 281340545 /nfs/dbraw/zinc/34/05/45/281340545.db2.gz QSMLQSYCXKGAKT-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP COCC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCCSC1 ZINC000433177308 281372936 /nfs/dbraw/zinc/37/29/36/281372936.db2.gz DMXNVLCMBRMBRU-OAHLLOKOSA-N 2 1 297.468 2.426 20 0 CEADMP COCC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCCSC1 ZINC000433177308 281372940 /nfs/dbraw/zinc/37/29/40/281372940.db2.gz DMXNVLCMBRMBRU-OAHLLOKOSA-N 2 1 297.468 2.426 20 0 CEADMP CCOc1cccc(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)n1 ZINC000435382232 281386551 /nfs/dbraw/zinc/38/65/51/281386551.db2.gz CHZQLEUQPSNTLP-OAHLLOKOSA-N 2 1 277.412 2.444 20 0 CEADMP CCOc1cccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)n1 ZINC000435382232 281386554 /nfs/dbraw/zinc/38/65/54/281386554.db2.gz CHZQLEUQPSNTLP-OAHLLOKOSA-N 2 1 277.412 2.444 20 0 CEADMP Cc1ncsc1C[N@@H+](CC1CC1)C[C@H]1CC[NH2+]C1 ZINC000435426906 281389483 /nfs/dbraw/zinc/38/94/83/281389483.db2.gz JWPNMIFJEJSZDL-ZDUSSCGKSA-N 2 1 265.426 2.273 20 0 CEADMP C[NH+](C)C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000155807614 282045163 /nfs/dbraw/zinc/04/51/63/282045163.db2.gz SDUZWKMUCUREML-HZPDHXFCSA-N 2 1 279.472 2.467 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000236693647 282072383 /nfs/dbraw/zinc/07/23/83/282072383.db2.gz PJYLXDLEGMZGDC-ZNMIVQPWSA-N 2 1 297.487 2.234 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCOCC2CCOCC2)[C@H](C)C1 ZINC000157459859 289214584 /nfs/dbraw/zinc/21/45/84/289214584.db2.gz ZWMIYRACXUWJDM-WBVHZDCISA-N 2 1 298.471 2.140 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000158156331 289229008 /nfs/dbraw/zinc/22/90/08/289229008.db2.gz LXXYQESBLNARBO-FZMZJTMJSA-N 2 1 262.401 2.086 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1COc2ccccc21 ZINC000459396007 290136142 /nfs/dbraw/zinc/13/61/42/290136142.db2.gz DLBUTBXRTJWKEL-WFASDCNBSA-N 2 1 271.364 2.117 20 0 CEADMP OC[C@@H](CC1CCCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459450756 290152131 /nfs/dbraw/zinc/15/21/31/290152131.db2.gz KMHIAZCVKUWDJV-OAHLLOKOSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCO[C@@H]1C1CC1 ZINC000459527798 290170977 /nfs/dbraw/zinc/17/09/77/290170977.db2.gz LBDOPPOVZDTUPB-SJORKVTESA-N 2 1 278.440 2.408 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459563496 290180334 /nfs/dbraw/zinc/18/03/34/290180334.db2.gz PMVYQTZUWIRHKM-MRXNPFEDSA-N 2 1 293.411 2.245 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459563496 290180337 /nfs/dbraw/zinc/18/03/37/290180337.db2.gz PMVYQTZUWIRHKM-MRXNPFEDSA-N 2 1 293.411 2.245 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](Cc1cnn(C)c1)CC(C)C ZINC000459575272 290183672 /nfs/dbraw/zinc/18/36/72/290183672.db2.gz BPYNHVHRBWKHCU-UHFFFAOYSA-N 2 1 275.400 2.083 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000459575272 290183673 /nfs/dbraw/zinc/18/36/73/290183673.db2.gz BPYNHVHRBWKHCU-UHFFFAOYSA-N 2 1 275.400 2.083 20 0 CEADMP COC[C@@H](CC(C)C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459779936 290237479 /nfs/dbraw/zinc/23/74/79/290237479.db2.gz LRIQMUBZRUPIRJ-LSDHHAIUSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@H](c1cccc(Cl)c1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261721596 290247491 /nfs/dbraw/zinc/24/74/91/290247491.db2.gz KHVJXGJPFHDIBV-CZUORRHYSA-N 2 1 293.842 2.381 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(O)(CC)CC)[C@@H](C)C1 ZINC000471761649 290282275 /nfs/dbraw/zinc/28/22/75/290282275.db2.gz UVFHOUXWTRECPH-UONOGXRCSA-N 2 1 256.434 2.248 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)C1(C)C ZINC000471769842 290282350 /nfs/dbraw/zinc/28/23/50/290282350.db2.gz NFGCUJMOTZMGCW-UONOGXRCSA-N 2 1 265.401 2.144 20 0 CEADMP C[C@H]1CC([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000122941643 290353580 /nfs/dbraw/zinc/35/35/80/290353580.db2.gz SLSJOGGTWYNTGF-RYUDHWBXSA-N 2 1 252.402 2.159 20 0 CEADMP COCC[N@@H+](CCCn1ccnc1)[C@@H]1CCC[C@@H]1C ZINC000487994502 290372528 /nfs/dbraw/zinc/37/25/28/290372528.db2.gz YIPJWMHUACZVHF-LSDHHAIUSA-N 2 1 265.401 2.410 20 0 CEADMP COCC[NH+]1CCC([NH2+]C2CC(C(C)C)C2)CC1 ZINC000488418480 290397845 /nfs/dbraw/zinc/39/78/45/290397845.db2.gz YAEGVYCSLRPXCV-UHFFFAOYSA-N 2 1 254.418 2.121 20 0 CEADMP [NH3+]CC1CCC(NCC[NH2+]C2CCCCCC2)CC1 ZINC000414816702 295224059 /nfs/dbraw/zinc/22/40/59/295224059.db2.gz XWNHXUDWSKUWIM-UHFFFAOYSA-N 2 1 267.461 2.406 20 0 CEADMP [NH3+]CC1CCC([NH2+]CCNC2CCCCCC2)CC1 ZINC000414816702 295224062 /nfs/dbraw/zinc/22/40/62/295224062.db2.gz XWNHXUDWSKUWIM-UHFFFAOYSA-N 2 1 267.461 2.406 20 0 CEADMP [NH3+]CCC[N@@H+](CCC1CC[NH2+]CC1)CC1CCCC1 ZINC000352504696 295229234 /nfs/dbraw/zinc/22/92/34/295229234.db2.gz TVPLSKQRVVSBAS-UHFFFAOYSA-N 3 1 267.461 2.217 20 0 CEADMP [NH3+][C@@H](CC(=O)N1CC[NH2+]Cc2ccccc21)c1ccccc1 ZINC000294976677 295293422 /nfs/dbraw/zinc/29/34/22/295293422.db2.gz GTBNUFUEWRZFAB-INIZCTEOSA-N 2 1 295.386 2.213 20 0 CEADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000515196940 297566784 /nfs/dbraw/zinc/56/67/84/297566784.db2.gz FQVORACTYILFKT-XJKSGUPXSA-N 2 1 273.380 2.328 20 0 CEADMP C[C@H]1CCC[C@@H]([NH2+]C2(CCO)CC[NH+](C)CC2)C1 ZINC000521643259 297648203 /nfs/dbraw/zinc/64/82/03/297648203.db2.gz AVWSTOAMDQOSGV-UONOGXRCSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4[nH]cnc4c3)CC[C@H]21 ZINC000538796791 298238584 /nfs/dbraw/zinc/23/85/84/298238584.db2.gz UXAWDHSZKDYXSU-RHSMWYFYSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4[nH]cnc4c3)CC[C@H]21 ZINC000538796791 298238586 /nfs/dbraw/zinc/23/85/86/298238586.db2.gz UXAWDHSZKDYXSU-RHSMWYFYSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4[nH]cnc4c3)CC[C@H]21 ZINC000538796791 298238587 /nfs/dbraw/zinc/23/85/87/298238587.db2.gz UXAWDHSZKDYXSU-RHSMWYFYSA-N 2 1 284.407 2.479 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4nc[nH]c4c3)CC[C@H]21 ZINC000538796791 298238589 /nfs/dbraw/zinc/23/85/89/298238589.db2.gz UXAWDHSZKDYXSU-RHSMWYFYSA-N 2 1 284.407 2.479 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4nc[nH]c4c3)CC[C@H]21 ZINC000538796791 298238590 /nfs/dbraw/zinc/23/85/90/298238590.db2.gz UXAWDHSZKDYXSU-RHSMWYFYSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4nc[nH]c4c3)CC[C@H]21 ZINC000538796791 298238593 /nfs/dbraw/zinc/23/85/93/298238593.db2.gz UXAWDHSZKDYXSU-RHSMWYFYSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4nc[nH]c4c3)CC[C@H]21 ZINC000538796791 298238594 /nfs/dbraw/zinc/23/85/94/298238594.db2.gz UXAWDHSZKDYXSU-RHSMWYFYSA-N 2 1 284.407 2.479 20 0 CEADMP Cc1ccccc1[C@@H](CO)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000541056050 298274867 /nfs/dbraw/zinc/27/48/67/298274867.db2.gz WZFGKQRXUCGWGL-GDBMZVCRSA-N 2 1 262.397 2.102 20 0 CEADMP Cc1ccccc1[C@@H](CO)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000541056050 298274872 /nfs/dbraw/zinc/27/48/72/298274872.db2.gz WZFGKQRXUCGWGL-GDBMZVCRSA-N 2 1 262.397 2.102 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000541744194 298284041 /nfs/dbraw/zinc/28/40/41/298284041.db2.gz YZIVVJIJXXRYEJ-XPKDYRNWSA-N 2 1 296.842 2.488 20 0 CEADMP C[C@@H](Cn1ccnc1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548061058 298390675 /nfs/dbraw/zinc/39/06/75/298390675.db2.gz VMKHIRKORMLSBX-AWEZNQCLSA-N 2 1 292.427 2.042 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nccn1Cc1ccccc1 ZINC000567343939 299054562 /nfs/dbraw/zinc/05/45/62/299054562.db2.gz BDDVSQHQHPZHBK-UONOGXRCSA-N 2 1 272.396 2.147 20 0 CEADMP Cc1cccc2ncc(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)n21 ZINC000515918817 313078341 /nfs/dbraw/zinc/07/83/41/313078341.db2.gz WXSUMRFJSXHWFN-HNNXBMFYSA-N 2 1 286.423 2.463 20 0 CEADMP Cc1cccc2ncc(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)n21 ZINC000515918817 313078345 /nfs/dbraw/zinc/07/83/45/313078345.db2.gz WXSUMRFJSXHWFN-HNNXBMFYSA-N 2 1 286.423 2.463 20 0 CEADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000516921058 313098883 /nfs/dbraw/zinc/09/88/83/313098883.db2.gz SSHPLKCWRXNBDM-CABCVRRESA-N 3 1 267.461 2.086 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cc(CO)ccc2F)C[C@@H]1C[NH3+] ZINC000530227181 313285777 /nfs/dbraw/zinc/28/57/77/313285777.db2.gz VJTNSPRHZPCWIM-XUJVJEKNSA-N 2 1 280.387 2.123 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(CO)ccc2F)C[C@@H]1C[NH3+] ZINC000530227181 313285778 /nfs/dbraw/zinc/28/57/78/313285778.db2.gz VJTNSPRHZPCWIM-XUJVJEKNSA-N 2 1 280.387 2.123 20 0 CEADMP c1nc(C2CC2)nc2c1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000530231710 313286624 /nfs/dbraw/zinc/28/66/24/313286624.db2.gz LBPKDFNHBFAOFB-ZDUSSCGKSA-N 2 1 286.423 2.102 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CCOCC1 ZINC000532473444 313349572 /nfs/dbraw/zinc/34/95/72/313349572.db2.gz OSDPTXSOSKQAIY-GJZGRUSLSA-N 2 1 254.418 2.121 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CCCO)c1ccccc1 ZINC000571058268 314071194 /nfs/dbraw/zinc/07/11/94/314071194.db2.gz RTOJFBSYYUIMNR-QGZVFWFLSA-N 2 1 287.407 2.456 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1c(C)noc1C ZINC000573426558 314156592 /nfs/dbraw/zinc/15/65/92/314156592.db2.gz SSPCFJLACXYKBO-OLZOCXBDSA-N 2 1 251.374 2.474 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000574126341 314187974 /nfs/dbraw/zinc/18/79/74/314187974.db2.gz INXYUQTWDBCMDQ-KBPBESRZSA-N 2 1 287.411 2.012 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1C ZINC000575135066 314208879 /nfs/dbraw/zinc/20/88/79/314208879.db2.gz QYAPKUHTAGSMEG-ROUUACIJSA-N 2 1 290.451 2.315 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1C ZINC000575135066 314208883 /nfs/dbraw/zinc/20/88/83/314208883.db2.gz QYAPKUHTAGSMEG-ROUUACIJSA-N 2 1 290.451 2.315 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1C ZINC000575135066 314208884 /nfs/dbraw/zinc/20/88/84/314208884.db2.gz QYAPKUHTAGSMEG-ROUUACIJSA-N 2 1 290.451 2.315 20 0 CEADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000575746495 314219214 /nfs/dbraw/zinc/21/92/14/314219214.db2.gz ZURUKFQMJVVBDZ-ZIAGYGMSSA-N 2 1 298.475 2.066 20 0 CEADMP CC(C)C[C@H]([NH3+])CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000576129669 314245817 /nfs/dbraw/zinc/24/58/17/314245817.db2.gz YEZIWMAYUCLKRC-INIZCTEOSA-N 3 1 269.477 2.412 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000576129669 314245819 /nfs/dbraw/zinc/24/58/19/314245819.db2.gz YEZIWMAYUCLKRC-INIZCTEOSA-N 2 1 269.477 2.412 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000576129669 314245821 /nfs/dbraw/zinc/24/58/21/314245821.db2.gz YEZIWMAYUCLKRC-INIZCTEOSA-N 2 1 269.477 2.412 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000576647155 314298296 /nfs/dbraw/zinc/29/82/96/314298296.db2.gz BCVINDHYYHKCSU-VVLHAWIVSA-N 2 1 273.424 2.291 20 0 CEADMP CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000576647155 314298298 /nfs/dbraw/zinc/29/82/98/314298298.db2.gz BCVINDHYYHKCSU-VVLHAWIVSA-N 2 1 273.424 2.291 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000577363295 314368184 /nfs/dbraw/zinc/36/81/84/314368184.db2.gz SVBPFIBPZDRZKS-YOEHRIQHSA-N 2 1 299.422 2.183 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CCO)c1ccccc1 ZINC000577384229 314370808 /nfs/dbraw/zinc/37/08/08/314370808.db2.gz TZPWCULUAHIOQG-INIZCTEOSA-N 2 1 273.380 2.066 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccccc2C)CC1 ZINC000577526413 314387656 /nfs/dbraw/zinc/38/76/56/314387656.db2.gz ASBCPLAYTRSMRY-QGZVFWFLSA-N 2 1 290.451 2.487 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccccc2C)CC1 ZINC000577526413 314387660 /nfs/dbraw/zinc/38/76/60/314387660.db2.gz ASBCPLAYTRSMRY-QGZVFWFLSA-N 2 1 290.451 2.487 20 0 CEADMP C[C@H](Cc1[nH]cc[nH+]1)OCc1ccc2c(c1)C[NH2+]CC2 ZINC000577615742 314395931 /nfs/dbraw/zinc/39/59/31/314395931.db2.gz XYAZRWDZLOMKDB-GFCCVEGCSA-N 2 1 271.364 2.203 20 0 CEADMP Cc1ccc(NCCC[NH2+]C[C@@H](O)CCC(C)C)[nH+]c1 ZINC000578979985 314535153 /nfs/dbraw/zinc/53/51/53/314535153.db2.gz NWKFEJIDSICLLU-HNNXBMFYSA-N 2 1 279.428 2.001 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000580342036 322312844 /nfs/dbraw/zinc/31/28/44/322312844.db2.gz PNVJLQDYUZGLBD-KMFMINBZSA-N 2 1 294.414 2.316 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000580342036 322312845 /nfs/dbraw/zinc/31/28/45/322312845.db2.gz PNVJLQDYUZGLBD-KMFMINBZSA-N 2 1 294.414 2.316 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000580342036 322312847 /nfs/dbraw/zinc/31/28/47/322312847.db2.gz PNVJLQDYUZGLBD-KMFMINBZSA-N 2 1 294.414 2.316 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@H]1CCC[NH+](C)C1 ZINC000581374860 322391337 /nfs/dbraw/zinc/39/13/37/322391337.db2.gz FFSVNKPMBCSLFL-INIZCTEOSA-N 3 1 287.451 2.106 20 0 CEADMP C[NH+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@H]1CCC[N@H+](C)C1 ZINC000581374860 322391339 /nfs/dbraw/zinc/39/13/39/322391339.db2.gz FFSVNKPMBCSLFL-INIZCTEOSA-N 3 1 287.451 2.106 20 0 CEADMP C[NH+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@H]1CCC[N@@H+](C)C1 ZINC000581374860 322391340 /nfs/dbraw/zinc/39/13/40/322391340.db2.gz FFSVNKPMBCSLFL-INIZCTEOSA-N 3 1 287.451 2.106 20 0 CEADMP CN(Cc1ccc2c(c1)C[NH2+]CC2)C[C@H]1CCC[N@H+](C)C1 ZINC000581374860 322391342 /nfs/dbraw/zinc/39/13/42/322391342.db2.gz FFSVNKPMBCSLFL-INIZCTEOSA-N 2 1 287.451 2.106 20 0 CEADMP CN(Cc1ccc2c(c1)C[NH2+]CC2)C[C@H]1CCC[N@@H+](C)C1 ZINC000581374860 322391343 /nfs/dbraw/zinc/39/13/43/322391343.db2.gz FFSVNKPMBCSLFL-INIZCTEOSA-N 2 1 287.451 2.106 20 0 CEADMP CN1CCC[C@H](C[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000581374860 322391345 /nfs/dbraw/zinc/39/13/45/322391345.db2.gz FFSVNKPMBCSLFL-INIZCTEOSA-N 2 1 287.451 2.106 20 0 CEADMP CN1CCC[C@H](C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000581374860 322391347 /nfs/dbraw/zinc/39/13/47/322391347.db2.gz FFSVNKPMBCSLFL-INIZCTEOSA-N 2 1 287.451 2.106 20 0 CEADMP CC(C)[C@@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[NH+]1CCCCC1 ZINC000357392594 519788838 /nfs/dbraw/zinc/78/88/38/519788838.db2.gz NVTTVLBKKYAEJQ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)nc2C)C1 ZINC000278534572 519862260 /nfs/dbraw/zinc/86/22/60/519862260.db2.gz SGJZWCKZZORAHF-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)nc2C)C1 ZINC000278534572 519862261 /nfs/dbraw/zinc/86/22/61/519862261.db2.gz SGJZWCKZZORAHF-ZDUSSCGKSA-N 2 1 265.376 2.351 20 0 CEADMP CC[NH+](CC)[C@H]1CCN(c2cccc(-n3cc[nH+]c3C)n2)C1 ZINC000363721015 520875990 /nfs/dbraw/zinc/87/59/90/520875990.db2.gz IYVLORDBIVHOLZ-HNNXBMFYSA-N 2 1 299.422 2.496 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2CC(C)C)CC1 ZINC000150865932 521573196 /nfs/dbraw/zinc/57/31/96/521573196.db2.gz JFNDLQQMAWQCHO-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1occc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000414395390 534574893 /nfs/dbraw/zinc/57/48/93/534574893.db2.gz QPGLMNYMCXLHTN-CQSZACIVSA-N 2 1 278.396 2.179 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c1C ZINC000163832021 521813017 /nfs/dbraw/zinc/81/30/17/521813017.db2.gz CMPWRRPSTQBCPX-BXUZGUMPSA-N 2 1 277.412 2.124 20 0 CEADMP COc1c(C)cnc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1C ZINC000163832021 521813023 /nfs/dbraw/zinc/81/30/23/521813023.db2.gz CMPWRRPSTQBCPX-BXUZGUMPSA-N 2 1 277.412 2.124 20 0 CEADMP COc1c(C)cnc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1C ZINC000163832021 521813032 /nfs/dbraw/zinc/81/30/32/521813032.db2.gz CMPWRRPSTQBCPX-BXUZGUMPSA-N 2 1 277.412 2.124 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000357065426 534636294 /nfs/dbraw/zinc/63/62/94/534636294.db2.gz ALBSHSSHHCMLAA-HNNXBMFYSA-N 2 1 266.360 2.328 20 0 CEADMP CC[C@H]1CO[C@H](C)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000050953191 523350248 /nfs/dbraw/zinc/35/02/48/523350248.db2.gz DEQONMJTEIQETF-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP CO[C@@H](C)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000363708389 523411058 /nfs/dbraw/zinc/41/10/58/523411058.db2.gz DKOSQYXRPKEWRG-UONOGXRCSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@](C)(O)c2cccc(Cl)c2)CC1 ZINC000184963530 523777643 /nfs/dbraw/zinc/77/76/43/523777643.db2.gz FOBZTMFWORDZMV-HNNXBMFYSA-N 2 1 282.815 2.231 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CSC[C@H]1C ZINC000352797318 534768133 /nfs/dbraw/zinc/76/81/33/534768133.db2.gz WKYQKLHOJLACAB-YPMHNXCESA-N 2 1 253.415 2.313 20 0 CEADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2F)C[C@@H]1C[NH3+] ZINC000163821352 524504629 /nfs/dbraw/zinc/50/46/29/524504629.db2.gz DQHLYVVEMLOIPN-OLZOCXBDSA-N 2 1 293.386 2.071 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000161551390 524898910 /nfs/dbraw/zinc/89/89/10/524898910.db2.gz WWESVZIAVKVXTP-CABCVRRESA-N 2 1 286.423 2.356 20 0 CEADMP Cc1ccn(C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000366112051 525588950 /nfs/dbraw/zinc/58/89/50/525588950.db2.gz ZLCYSCXKNNJDBS-OAHLLOKOSA-N 2 1 276.428 2.313 20 0 CEADMP Cc1cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC000364910971 526113463 /nfs/dbraw/zinc/11/34/63/526113463.db2.gz WQIVBJINCFLKSX-WMLDXEAASA-N 2 1 299.422 2.040 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358078283 526253230 /nfs/dbraw/zinc/25/32/30/526253230.db2.gz BVDOCFOLNFKMNK-RDBSUJKOSA-N 2 1 282.428 2.323 20 0 CEADMP c1cnn([C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000365834275 526556717 /nfs/dbraw/zinc/55/67/17/526556717.db2.gz CKOSAFWPTVELSP-OAHLLOKOSA-N 2 1 262.401 2.006 20 0 CEADMP c1cnn([C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000365834275 526556726 /nfs/dbraw/zinc/55/67/26/526556726.db2.gz CKOSAFWPTVELSP-OAHLLOKOSA-N 2 1 262.401 2.006 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCS[C@H](C)C1 ZINC000161646681 527400746 /nfs/dbraw/zinc/40/07/46/527400746.db2.gz LSTGTYOLTSRKTN-GFCCVEGCSA-N 2 1 253.415 2.409 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCS[C@H](C)C1 ZINC000161646681 527400753 /nfs/dbraw/zinc/40/07/53/527400753.db2.gz LSTGTYOLTSRKTN-GFCCVEGCSA-N 2 1 253.415 2.409 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000371204172 527411567 /nfs/dbraw/zinc/41/15/67/527411567.db2.gz FWOXQHMLYUFBIW-OAHLLOKOSA-N 2 1 287.411 2.195 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000371204172 527411573 /nfs/dbraw/zinc/41/15/73/527411573.db2.gz FWOXQHMLYUFBIW-OAHLLOKOSA-N 2 1 287.411 2.195 20 0 CEADMP Cn1ccnc1[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000365663335 527468074 /nfs/dbraw/zinc/46/80/74/527468074.db2.gz MTIPXZUMNLPSIU-INIZCTEOSA-N 2 1 290.455 2.476 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2cncs2)C[C@H]1C ZINC000411302578 527832326 /nfs/dbraw/zinc/83/23/26/527832326.db2.gz GADMAYMOJLCNBL-OLZOCXBDSA-N 2 1 267.442 2.490 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cncs2)C[C@H]1C ZINC000411302578 527832328 /nfs/dbraw/zinc/83/23/28/527832328.db2.gz GADMAYMOJLCNBL-OLZOCXBDSA-N 2 1 267.442 2.490 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cncs2)C[C@H]1C ZINC000411302578 527832331 /nfs/dbraw/zinc/83/23/31/527832331.db2.gz GADMAYMOJLCNBL-OLZOCXBDSA-N 2 1 267.442 2.490 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cncs2)C[C@H]1C ZINC000411302578 527832334 /nfs/dbraw/zinc/83/23/34/527832334.db2.gz GADMAYMOJLCNBL-OLZOCXBDSA-N 2 1 267.442 2.490 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](CO)CC2CCCCC2)CC1 ZINC000417371709 528988293 /nfs/dbraw/zinc/98/82/93/528988293.db2.gz UWHDGUUXIAIAMP-MRXNPFEDSA-N 2 1 268.445 2.392 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000334842129 529130059 /nfs/dbraw/zinc/13/00/59/529130059.db2.gz LDAICOSCNLTHNZ-ZDUSSCGKSA-N 2 1 252.333 2.009 20 0 CEADMP CC[C@@H](C)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000357381483 529327126 /nfs/dbraw/zinc/32/71/26/529327126.db2.gz ZVTZPNQOVMSOPN-WBVHZDCISA-N 2 1 276.424 2.259 20 0 CEADMP CC[C@@H](C)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000357381483 529327130 /nfs/dbraw/zinc/32/71/30/529327130.db2.gz ZVTZPNQOVMSOPN-WBVHZDCISA-N 2 1 276.424 2.259 20 0 CEADMP Cn1cncc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309781476 538741621 /nfs/dbraw/zinc/74/16/21/538741621.db2.gz FBXVPSUTIIFFFZ-SFHVURJKSA-N 2 1 298.434 2.422 20 0 CEADMP Cn1cncc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309781476 538741629 /nfs/dbraw/zinc/74/16/29/538741629.db2.gz FBXVPSUTIIFFFZ-SFHVURJKSA-N 2 1 298.434 2.422 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](CN2CCSC2=O)CC1 ZINC000738070157 574850713 /nfs/dbraw/zinc/85/07/13/574850713.db2.gz CNBUTQWYSWSXPU-UHFFFAOYSA-N 2 1 285.457 2.167 20 0 CEADMP C[N@H+](C[C@@H]1CC1(Cl)Cl)C[C@H]1CCC[NH+](C)C1 ZINC000741386961 574983892 /nfs/dbraw/zinc/98/38/92/574983892.db2.gz NUBGPTLWFQAOBL-QWRGUYRKSA-N 2 1 265.228 2.454 20 0 CEADMP C[N@@H+](C[C@@H]1CC1(Cl)Cl)C[C@H]1CCC[NH+](C)C1 ZINC000741386961 574983894 /nfs/dbraw/zinc/98/38/94/574983894.db2.gz NUBGPTLWFQAOBL-QWRGUYRKSA-N 2 1 265.228 2.454 20 0 CEADMP C[NH+](C[C@@H]1CC1(Cl)Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000741386961 574983897 /nfs/dbraw/zinc/98/38/97/574983897.db2.gz NUBGPTLWFQAOBL-QWRGUYRKSA-N 2 1 265.228 2.454 20 0 CEADMP C[NH+](C[C@@H]1CC1(Cl)Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000741386961 574983899 /nfs/dbraw/zinc/98/38/99/574983899.db2.gz NUBGPTLWFQAOBL-QWRGUYRKSA-N 2 1 265.228 2.454 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCCC[NH+]1CCCC1 ZINC000741705733 574994738 /nfs/dbraw/zinc/99/47/38/574994738.db2.gz SZGDDSFFVYDIBQ-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC000746676444 575162668 /nfs/dbraw/zinc/16/26/68/575162668.db2.gz WDOMFPWCOOXYCB-CQSZACIVSA-N 2 1 272.509 2.297 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000746674907 575162808 /nfs/dbraw/zinc/16/28/08/575162808.db2.gz YNHDQUBOFKPHCL-BBRMVZONSA-N 2 1 280.387 2.051 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000746674907 575162810 /nfs/dbraw/zinc/16/28/10/575162810.db2.gz YNHDQUBOFKPHCL-BBRMVZONSA-N 2 1 280.387 2.051 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC12CC[NH+](C)CC2 ZINC000748326287 575183183 /nfs/dbraw/zinc/18/31/83/575183183.db2.gz QHSNECKBMIGATC-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP Cc1cc(N2CCC([NH2+]Cc3ccoc3)CC2)nc(C)[nH+]1 ZINC000749842261 575236866 /nfs/dbraw/zinc/23/68/66/575236866.db2.gz MUYQJBQXSDYEGN-UHFFFAOYSA-N 2 1 286.379 2.445 20 0 CEADMP CC(C)CC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000957765865 614033216 /nfs/dbraw/zinc/03/32/16/614033216.db2.gz PXQGVBLEQWZEKZ-IYBDPMFKSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980491470 614533494 /nfs/dbraw/zinc/53/34/94/614533494.db2.gz VNABBMISCJAREO-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC ZINC000968882062 614661943 /nfs/dbraw/zinc/66/19/43/614661943.db2.gz GOBKMZFNJZYYLQ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC ZINC000968882062 614661946 /nfs/dbraw/zinc/66/19/46/614661946.db2.gz GOBKMZFNJZYYLQ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC ZINC000968882062 614661948 /nfs/dbraw/zinc/66/19/48/614661948.db2.gz GOBKMZFNJZYYLQ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726112 614748774 /nfs/dbraw/zinc/74/87/74/614748774.db2.gz IVRMHKJAWGWVAW-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726112 614748775 /nfs/dbraw/zinc/74/87/75/614748775.db2.gz IVRMHKJAWGWVAW-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726112 614748778 /nfs/dbraw/zinc/74/87/78/614748778.db2.gz IVRMHKJAWGWVAW-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000981282589 614983916 /nfs/dbraw/zinc/98/39/16/614983916.db2.gz DVAINALSKGZNLS-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000981282589 614983917 /nfs/dbraw/zinc/98/39/17/614983917.db2.gz DVAINALSKGZNLS-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000981282589 614983921 /nfs/dbraw/zinc/98/39/21/614983921.db2.gz DVAINALSKGZNLS-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948717028 615124098 /nfs/dbraw/zinc/12/40/98/615124098.db2.gz KJXJXSQAWRJLCX-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000948717028 615124100 /nfs/dbraw/zinc/12/41/00/615124100.db2.gz KJXJXSQAWRJLCX-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000948717028 615124101 /nfs/dbraw/zinc/12/41/01/615124101.db2.gz KJXJXSQAWRJLCX-HRCADAONSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC)CC1(C)C ZINC000941238660 615219815 /nfs/dbraw/zinc/21/98/15/615219815.db2.gz ZKNIUMWPCHUFRC-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941238660 615219816 /nfs/dbraw/zinc/21/98/16/615219816.db2.gz ZKNIUMWPCHUFRC-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941238660 615219817 /nfs/dbraw/zinc/21/98/17/615219817.db2.gz ZKNIUMWPCHUFRC-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737034 615286388 /nfs/dbraw/zinc/28/63/88/615286388.db2.gz MDGDDJMCYHNHNM-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940737034 615286390 /nfs/dbraw/zinc/28/63/90/615286390.db2.gz MDGDDJMCYHNHNM-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940737034 615286393 /nfs/dbraw/zinc/28/63/93/615286393.db2.gz MDGDDJMCYHNHNM-GJZGRUSLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H](C)C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000948855150 615442257 /nfs/dbraw/zinc/44/22/57/615442257.db2.gz YTJUQHFYRLMIOU-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001024017877 625295479 /nfs/dbraw/zinc/29/54/79/625295479.db2.gz INGNHXBUDSJUBV-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001024367325 625533918 /nfs/dbraw/zinc/53/39/18/625533918.db2.gz ZXCYDPIEBKZTGY-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001024367325 625533926 /nfs/dbraw/zinc/53/39/26/625533926.db2.gz ZXCYDPIEBKZTGY-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932386631 622712691 /nfs/dbraw/zinc/71/26/91/622712691.db2.gz SPPLIQLFXXQYQG-HNNXBMFYSA-N 2 1 256.353 2.099 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C(C)C)C1 ZINC001020909768 622921769 /nfs/dbraw/zinc/92/17/69/622921769.db2.gz QEXYUMJZPFXJIY-JYJNAYRXSA-N 2 1 295.471 2.286 20 0 CEADMP CC(C)CNC(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000052042670 625641180 /nfs/dbraw/zinc/64/11/80/625641180.db2.gz GQTIAHMHWYHJCM-UHFFFAOYSA-N 2 1 268.449 2.411 20 0 CEADMP CCn1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000050539396 623440124 /nfs/dbraw/zinc/44/01/24/623440124.db2.gz OFXSBWSQCFIDLO-CQSZACIVSA-N 2 1 264.417 2.257 20 0 CEADMP CCn1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000050539396 623440128 /nfs/dbraw/zinc/44/01/28/623440128.db2.gz OFXSBWSQCFIDLO-CQSZACIVSA-N 2 1 264.417 2.257 20 0 CEADMP C[N@@H+](Cc1cccnc1)Cc1cccc2c1CC[NH2+]C2 ZINC000123901576 623551768 /nfs/dbraw/zinc/55/17/68/623551768.db2.gz NIIZECSOAVDUMX-UHFFFAOYSA-N 2 1 267.376 2.359 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308379332 623677187 /nfs/dbraw/zinc/67/71/87/623677187.db2.gz VIADLRKMJPOWOE-MELADBBJSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933372665 623688550 /nfs/dbraw/zinc/68/85/50/623688550.db2.gz HMJKJLVTYVKDAS-CQSZACIVSA-N 2 1 263.385 2.273 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@]1(C)CCOc2ccccc21 ZINC000933370424 623690297 /nfs/dbraw/zinc/69/02/97/623690297.db2.gz LORDMPSYNUKGAZ-INIZCTEOSA-N 2 1 271.364 2.250 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](C2CCC2)C2CCCC2)C1 ZINC000926173445 623744532 /nfs/dbraw/zinc/74/45/32/623744532.db2.gz KRLMJRWSOFUHHX-JKSUJKDBSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](C2CCC2)C2CCCC2)C1 ZINC000926173445 623744537 /nfs/dbraw/zinc/74/45/37/623744537.db2.gz KRLMJRWSOFUHHX-JKSUJKDBSA-N 2 1 266.429 2.002 20 0 CEADMP CN(Cc1cn2ccnc2s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000891672203 623881430 /nfs/dbraw/zinc/88/14/30/623881430.db2.gz VCRIOPDYLZDIPE-LBPRGKRZSA-N 2 1 278.425 2.169 20 0 CEADMP CC(C)[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000395799946 623923640 /nfs/dbraw/zinc/92/36/40/623923640.db2.gz ZIPXUWSIMRGFAR-LSDHHAIUSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000395799946 623923643 /nfs/dbraw/zinc/92/36/43/623923643.db2.gz ZIPXUWSIMRGFAR-LSDHHAIUSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000395799946 623923646 /nfs/dbraw/zinc/92/36/46/623923646.db2.gz ZIPXUWSIMRGFAR-LSDHHAIUSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000395799945 623923764 /nfs/dbraw/zinc/92/37/64/623923764.db2.gz ZIPXUWSIMRGFAR-HUUCEWRRSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000395799945 623923765 /nfs/dbraw/zinc/92/37/65/623923765.db2.gz ZIPXUWSIMRGFAR-HUUCEWRRSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000395799945 623923770 /nfs/dbraw/zinc/92/37/70/623923770.db2.gz ZIPXUWSIMRGFAR-HUUCEWRRSA-N 2 1 256.434 2.198 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@]2(C)C1 ZINC000933743943 623990015 /nfs/dbraw/zinc/99/00/15/623990015.db2.gz DKWUCMJBBIDFHM-CJNGLKHVSA-N 2 1 278.371 2.088 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](CCOc3ccc(F)cc3)C[C@]2(C)C1 ZINC000933743943 623990018 /nfs/dbraw/zinc/99/00/18/623990018.db2.gz DKWUCMJBBIDFHM-CJNGLKHVSA-N 2 1 278.371 2.088 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@]2(C)C1 ZINC000933743943 623990020 /nfs/dbraw/zinc/99/00/20/623990020.db2.gz DKWUCMJBBIDFHM-CJNGLKHVSA-N 2 1 278.371 2.088 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@]2(C)C1 ZINC000933743943 623990022 /nfs/dbraw/zinc/99/00/22/623990022.db2.gz DKWUCMJBBIDFHM-CJNGLKHVSA-N 2 1 278.371 2.088 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1noc2ccccc21 ZINC000926679743 625705404 /nfs/dbraw/zinc/70/54/04/625705404.db2.gz ZWKAZWYXEXEOJA-MPYYAJLASA-N 2 1 285.391 2.300 20 0 CEADMP CC(C)CO[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892224192 624436187 /nfs/dbraw/zinc/43/61/87/624436187.db2.gz BJHOCURBHABRFQ-OAHLLOKOSA-N 2 1 254.418 2.075 20 0 CEADMP CCOC(=O)CC[C@H]1CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000892240156 624445506 /nfs/dbraw/zinc/44/55/06/624445506.db2.gz OPGFDNIWSNLDDV-OAHLLOKOSA-N 2 1 296.455 2.384 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161351801 624602725 /nfs/dbraw/zinc/60/27/25/624602725.db2.gz MGTJIAKNUFZMHR-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161351801 624602736 /nfs/dbraw/zinc/60/27/36/624602736.db2.gz MGTJIAKNUFZMHR-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261576531 624955961 /nfs/dbraw/zinc/95/59/61/624955961.db2.gz CFRORFGIBOUQLM-GDBMZVCRSA-N 2 1 260.381 2.269 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261576531 624955962 /nfs/dbraw/zinc/95/59/62/624955962.db2.gz CFRORFGIBOUQLM-GDBMZVCRSA-N 2 1 260.381 2.269 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC)C1 ZINC001023402671 625005273 /nfs/dbraw/zinc/00/52/73/625005273.db2.gz QMYUJOLEPRPBOK-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC)C1 ZINC001023402671 625005277 /nfs/dbraw/zinc/00/52/77/625005277.db2.gz QMYUJOLEPRPBOK-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC)C1 ZINC001023402671 625005284 /nfs/dbraw/zinc/00/52/84/625005284.db2.gz QMYUJOLEPRPBOK-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023633299 625086277 /nfs/dbraw/zinc/08/62/77/625086277.db2.gz WFQYCZYGRHWGBY-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023633299 625086281 /nfs/dbraw/zinc/08/62/81/625086281.db2.gz WFQYCZYGRHWGBY-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023633299 625086282 /nfs/dbraw/zinc/08/62/82/625086282.db2.gz WFQYCZYGRHWGBY-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)C1CC1 ZINC000926706142 625785883 /nfs/dbraw/zinc/78/58/83/625785883.db2.gz ACJRWJLGSKIEEC-WTXIUTQJSA-N 2 1 266.429 2.406 20 0 CEADMP CNc1ccc(C)cc1C[NH2+]CCC[N@@H+](C)CCOC ZINC000902065839 634459883 /nfs/dbraw/zinc/45/98/83/634459883.db2.gz LVLVQQLABJELLA-UHFFFAOYSA-N 2 1 279.428 2.095 20 0 CEADMP CCn1cnnc1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820807761 634534189 /nfs/dbraw/zinc/53/41/89/634534189.db2.gz QLMPQCRQURGSAN-ZDUSSCGKSA-N 2 1 287.411 2.210 20 0 CEADMP Cc1cc(F)ncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000892606358 627305587 /nfs/dbraw/zinc/30/55/87/627305587.db2.gz AFXOUKRWPYMYNU-KGLIPLIRSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1cc(F)ncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000892606358 627305588 /nfs/dbraw/zinc/30/55/88/627305588.db2.gz AFXOUKRWPYMYNU-KGLIPLIRSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902330376 634593081 /nfs/dbraw/zinc/59/30/81/634593081.db2.gz XFRYOEJIXVIABN-OAHLLOKOSA-N 3 1 278.444 2.340 20 0 CEADMP C[C@@H]1OC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000924600925 627725575 /nfs/dbraw/zinc/72/55/75/627725575.db2.gz BKLCHSZCHDXFBL-VKJFTORMSA-N 2 1 288.435 2.448 20 0 CEADMP C[C@@H]1OC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000924600925 627725579 /nfs/dbraw/zinc/72/55/79/627725579.db2.gz BKLCHSZCHDXFBL-VKJFTORMSA-N 2 1 288.435 2.448 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000902375687 634605663 /nfs/dbraw/zinc/60/56/63/634605663.db2.gz JSDBOGUPFWIUAL-HOCLYGCPSA-N 2 1 279.472 2.371 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000902375687 634605670 /nfs/dbraw/zinc/60/56/70/634605670.db2.gz JSDBOGUPFWIUAL-HOCLYGCPSA-N 2 1 279.472 2.371 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](CO)c2ccsc2)C1 ZINC000902374952 634606035 /nfs/dbraw/zinc/60/60/35/634606035.db2.gz SOQVMNDFOIKGSU-CHWSQXEVSA-N 2 1 268.426 2.149 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(c2cc(N)[nH+]cc2Cl)C[C@H]1C ZINC000893049584 627966613 /nfs/dbraw/zinc/96/66/13/627966613.db2.gz CZDTTXIXZIEZPZ-NXEZZACHSA-N 2 1 268.792 2.236 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](C(C)C)C1 ZINC001007749969 627971424 /nfs/dbraw/zinc/97/14/24/627971424.db2.gz VIFPSIAOVLTFDU-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001007749969 627971429 /nfs/dbraw/zinc/97/14/29/627971429.db2.gz VIFPSIAOVLTFDU-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001007749969 627971433 /nfs/dbraw/zinc/97/14/33/627971433.db2.gz VIFPSIAOVLTFDU-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CN(C)c1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000902363983 634619743 /nfs/dbraw/zinc/61/97/43/634619743.db2.gz XUBLJKAHWRTWRP-CYBMUJFWSA-N 2 1 276.428 2.015 20 0 CEADMP CC(C)n1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925509061 628028605 /nfs/dbraw/zinc/02/86/05/628028605.db2.gz LPWKOJPWJCZHAN-TZMCWYRMSA-N 2 1 264.417 2.460 20 0 CEADMP c1cc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)cc2c1OCO2 ZINC000925510871 628039886 /nfs/dbraw/zinc/03/98/86/628039886.db2.gz AUOIJPBXFOTSKS-INIZCTEOSA-N 2 1 288.391 2.222 20 0 CEADMP CCC[N@@H+](CC)CCN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925530226 628129681 /nfs/dbraw/zinc/12/96/81/628129681.db2.gz PSMMBAUUBCNLTC-HOCLYGCPSA-N 2 1 263.429 2.396 20 0 CEADMP Cc1noc(C)c1CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925540053 628164050 /nfs/dbraw/zinc/16/40/50/628164050.db2.gz FZWVOWNMPWDMHV-CQSZACIVSA-N 2 1 263.385 2.098 20 0 CEADMP CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925547362 628187067 /nfs/dbraw/zinc/18/70/67/628187067.db2.gz BXBWLLNXJVQTQR-AGIUHOORSA-N 2 1 291.443 2.171 20 0 CEADMP c1ccc2c(c1)cncc2C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000312216412 628191663 /nfs/dbraw/zinc/19/16/63/628191663.db2.gz BTFDQAAXPNJQQJ-QGZVFWFLSA-N 2 1 267.376 2.420 20 0 CEADMP COc1cc(C)ccc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925550817 628198343 /nfs/dbraw/zinc/19/83/43/628198343.db2.gz COQZAGDUHYPYBE-LSDHHAIUSA-N 2 1 260.381 2.363 20 0 CEADMP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925574033 628249877 /nfs/dbraw/zinc/24/98/77/628249877.db2.gz RCSQWEUWPUFYSW-DFBGVHRSSA-N 2 1 280.387 2.368 20 0 CEADMP C[C@H]([NH3+])[C@@H](NCC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000925621615 628313872 /nfs/dbraw/zinc/31/38/72/628313872.db2.gz FQZHIPFBBNVMED-OFQRWUPVSA-N 2 1 261.413 2.149 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]([NH+](C)C)[C@@H]2C)c1C ZINC000931040904 628340676 /nfs/dbraw/zinc/34/06/76/628340676.db2.gz FQSKOJSDQMOMID-ZFWWWQNUSA-N 2 1 277.412 2.231 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccnn1C ZINC000925650383 628353463 /nfs/dbraw/zinc/35/34/63/628353463.db2.gz UFOQILJSNQLUPH-ZBFHGGJFSA-N 2 1 290.455 2.424 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)CC2 ZINC000925658175 628366796 /nfs/dbraw/zinc/36/67/96/628366796.db2.gz NTWBSIPNNAJHQN-CFVMTHIKSA-N 2 1 276.428 2.051 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CCC(C)(C)CO1 ZINC000902429679 634651060 /nfs/dbraw/zinc/65/10/60/634651060.db2.gz MZABWCRLZJGITE-RDBSUJKOSA-N 2 1 254.418 2.169 20 0 CEADMP COc1cccnc1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925688107 628497316 /nfs/dbraw/zinc/49/73/16/628497316.db2.gz BQGDHAITSYQYBC-NEPJUHHUSA-N 2 1 263.385 2.086 20 0 CEADMP CN1C[C@]2(C)C[N@@H+](C[C@@H](O)c3ccc(F)cc3)C[C@]2(C)C1 ZINC000931304755 628508663 /nfs/dbraw/zinc/50/86/63/628508663.db2.gz QULRCWIENDRVTO-ZACQAIPSSA-N 2 1 292.398 2.133 20 0 CEADMP c1cc([C@@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)CCO2)ccn1 ZINC000925694231 628516150 /nfs/dbraw/zinc/51/61/50/628516150.db2.gz UAVQLYNFFQOHMH-OWCLPIDISA-N 2 1 287.407 2.176 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(-n2cnnc2)c1 ZINC000925704909 628549056 /nfs/dbraw/zinc/54/90/56/628549056.db2.gz IHYLTOHUWZLARI-AWEZNQCLSA-N 2 1 297.406 2.180 20 0 CEADMP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccccc1 ZINC000925709626 628555808 /nfs/dbraw/zinc/55/58/08/628555808.db2.gz ONNRKMZJXIVWTR-HUUCEWRRSA-N 3 1 297.393 2.301 20 0 CEADMP c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925711574 628561788 /nfs/dbraw/zinc/56/17/88/628561788.db2.gz TWDGQDNKJYTMEL-RMADRBSHSA-N 2 1 254.377 2.260 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925714153 628569944 /nfs/dbraw/zinc/56/99/44/628569944.db2.gz WBDPXRRZPZHFFL-HUUCEWRRSA-N 3 1 269.477 2.460 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925714153 628569947 /nfs/dbraw/zinc/56/99/47/628569947.db2.gz WBDPXRRZPZHFFL-HUUCEWRRSA-N 3 1 269.477 2.460 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925714153 628569950 /nfs/dbraw/zinc/56/99/50/628569950.db2.gz WBDPXRRZPZHFFL-HUUCEWRRSA-N 3 1 269.477 2.460 20 0 CEADMP CCC[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)OCC ZINC000925722429 628595487 /nfs/dbraw/zinc/59/54/87/628595487.db2.gz IJVRSOAWLPAZEF-UONOGXRCSA-N 2 1 254.418 2.456 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)[C@H]1CCCC[NH2+]1 ZINC000902459026 634679575 /nfs/dbraw/zinc/67/95/75/634679575.db2.gz AQSAPENGVNXTKL-BFHYXJOUSA-N 2 1 254.418 2.454 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C12CCCCC2 ZINC000925783360 628816541 /nfs/dbraw/zinc/81/65/41/628816541.db2.gz NKWJWUJFOQWGCM-APIJFGDWSA-N 2 1 266.429 2.312 20 0 CEADMP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925784801 628822314 /nfs/dbraw/zinc/82/23/14/628822314.db2.gz NXKJODJYHOVGJT-OIISXLGYSA-N 2 1 276.424 2.425 20 0 CEADMP Cc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)nn1 ZINC000840947912 628835215 /nfs/dbraw/zinc/83/52/15/628835215.db2.gz CIMORZLNBJKYNP-UHFFFAOYSA-N 2 1 284.407 2.479 20 0 CEADMP Cc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)nn1 ZINC000840947912 628835218 /nfs/dbraw/zinc/83/52/18/628835218.db2.gz CIMORZLNBJKYNP-UHFFFAOYSA-N 2 1 284.407 2.479 20 0 CEADMP CCN(C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000925810874 628863296 /nfs/dbraw/zinc/86/32/96/628863296.db2.gz BCTUEXXTXXHGFA-LSDHHAIUSA-N 2 1 289.423 2.017 20 0 CEADMP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC[C@@H]2N)CC1 ZINC000925825193 628896154 /nfs/dbraw/zinc/89/61/54/628896154.db2.gz XUYAXVWBAJLXNH-PYBGIAKNSA-N 2 1 265.445 2.253 20 0 CEADMP CN(C)[C@@H](CC[NH2+][C@H]1CC[NH2+]C12CCCC2)C(F)(F)F ZINC000925838659 628938464 /nfs/dbraw/zinc/93/84/64/628938464.db2.gz ZVOBNGYZAWSNQQ-RYUDHWBXSA-N 2 1 293.377 2.133 20 0 CEADMP C[C@H](CC1CCC1)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925844913 628946877 /nfs/dbraw/zinc/94/68/77/628946877.db2.gz MQADPHFSOCPPFF-OAHLLOKOSA-N 2 1 267.461 2.230 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCS1 ZINC000925861799 628961955 /nfs/dbraw/zinc/96/19/55/628961955.db2.gz SMTBECMRGYINNP-UXXRCYHCSA-N 2 1 284.469 2.017 20 0 CEADMP Oc1cccc2sc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc21 ZINC000894097784 629123816 /nfs/dbraw/zinc/12/38/16/629123816.db2.gz PXOSVOKQFLPCDR-GHMZBOCLSA-N 2 1 274.389 2.258 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCCOC1 ZINC000679574337 629246920 /nfs/dbraw/zinc/24/69/20/629246920.db2.gz HKQWBHXWXWLCEI-ZOBUZTSGSA-N 2 1 296.455 2.035 20 0 CEADMP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1F ZINC000261829422 629261111 /nfs/dbraw/zinc/26/11/11/629261111.db2.gz IXAVPJQMGMVJQA-ZDUSSCGKSA-N 2 1 266.360 2.395 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1F ZINC000261829422 629261116 /nfs/dbraw/zinc/26/11/16/629261116.db2.gz IXAVPJQMGMVJQA-ZDUSSCGKSA-N 2 1 266.360 2.395 20 0 CEADMP C[C@H](C[NH2+]Cc1cc(O)cc(Cl)c1)C[NH+](C)C ZINC000902571396 634730646 /nfs/dbraw/zinc/73/06/46/634730646.db2.gz HUZFHPRKFWSEHB-SNVBAGLBSA-N 2 1 256.777 2.333 20 0 CEADMP c1cc2cc(C[NH2+]C[C@@H]3CN4CCC[C@@H]4CO3)ccc2cn1 ZINC000319837423 629381806 /nfs/dbraw/zinc/38/18/06/629381806.db2.gz XIMOSDRZRFDUFG-QZTJIDSGSA-N 2 1 297.402 2.188 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1C ZINC000902572807 634731628 /nfs/dbraw/zinc/73/16/28/634731628.db2.gz ZZHUUMRQMKUOKN-LBPRGKRZSA-N 2 1 278.396 2.069 20 0 CEADMP CCC[N@@H+](CCN1CCCC1)CC1CC[NH+](C)CC1 ZINC000894405945 629438131 /nfs/dbraw/zinc/43/81/31/629438131.db2.gz CWNXEWNENAWWQI-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2C2CC2)C1 ZINC000894457252 629471216 /nfs/dbraw/zinc/47/12/16/629471216.db2.gz WUQNJYHCBYCHPP-ZDUSSCGKSA-N 2 1 276.428 2.117 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2C2CC2)C1 ZINC000894457252 629471217 /nfs/dbraw/zinc/47/12/17/629471217.db2.gz WUQNJYHCBYCHPP-ZDUSSCGKSA-N 2 1 276.428 2.117 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000894561327 629527314 /nfs/dbraw/zinc/52/73/14/629527314.db2.gz UXDUENNAXPYOLR-AWEZNQCLSA-N 3 1 255.450 2.038 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000894561327 629527317 /nfs/dbraw/zinc/52/73/17/629527317.db2.gz UXDUENNAXPYOLR-AWEZNQCLSA-N 3 1 255.450 2.038 20 0 CEADMP C[N@@H+]1C[C@H]2CN(C/C=C/c3cccc(F)c3)C[C@H]2C1 ZINC000894579633 629543705 /nfs/dbraw/zinc/54/37/05/629543705.db2.gz GPMLGYVYEDSVRL-SAJISDGCSA-N 2 1 260.356 2.332 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C/C=C/c3cccc(F)c3)C[C@@H]2C1 ZINC000894579633 629543708 /nfs/dbraw/zinc/54/37/08/629543708.db2.gz GPMLGYVYEDSVRL-SAJISDGCSA-N 2 1 260.356 2.332 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C/C=C/c3cccc(F)c3)C[C@@H]2C1 ZINC000894579633 629543711 /nfs/dbraw/zinc/54/37/11/629543711.db2.gz GPMLGYVYEDSVRL-SAJISDGCSA-N 2 1 260.356 2.332 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C/C=C/c3cccc(F)c3)C[C@@H]2C1 ZINC000894579633 629543714 /nfs/dbraw/zinc/54/37/14/629543714.db2.gz GPMLGYVYEDSVRL-SAJISDGCSA-N 2 1 260.356 2.332 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C/C=C/c3cccc(F)c3)C[C@@H]2C1 ZINC000894579633 629543719 /nfs/dbraw/zinc/54/37/19/629543719.db2.gz GPMLGYVYEDSVRL-SAJISDGCSA-N 2 1 260.356 2.332 20 0 CEADMP COc1ccsc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262050994 629606366 /nfs/dbraw/zinc/60/63/66/629606366.db2.gz QFOLKSPLCDVQJA-UHFFFAOYSA-N 2 1 266.410 2.332 20 0 CEADMP CC(C)[C@@H](CO)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000894723540 629613692 /nfs/dbraw/zinc/61/36/92/629613692.db2.gz IEZSEXRYMJDHJQ-VEDBGLOESA-N 2 1 282.472 2.490 20 0 CEADMP C[C@H]1C[N@H+](C/C=C\Cl)CCN1c1cc[nH+]cc1 ZINC000880263672 629632221 /nfs/dbraw/zinc/63/22/21/629632221.db2.gz ZWCNBLZWVKJJBD-PZBKNZOISA-N 2 1 251.761 2.345 20 0 CEADMP C[C@H]1C[N@@H+](C/C=C\Cl)CCN1c1cc[nH+]cc1 ZINC000880263672 629632225 /nfs/dbraw/zinc/63/22/25/629632225.db2.gz ZWCNBLZWVKJJBD-PZBKNZOISA-N 2 1 251.761 2.345 20 0 CEADMP CCc1nnc(C[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000894806589 629651992 /nfs/dbraw/zinc/65/19/92/629651992.db2.gz GFQJSGFRIGJZOL-UHFFFAOYSA-N 2 1 268.430 2.065 20 0 CEADMP CC(C)(C)c1nc(C[NH2+]CCn2ccnc2)cs1 ZINC000067183823 629934064 /nfs/dbraw/zinc/93/40/64/629934064.db2.gz OLHJITKDPCFRRQ-UHFFFAOYSA-N 2 1 264.398 2.427 20 0 CEADMP COc1ccc2c(c1)C[N@H+](CC1CC[NH+](C)CC1)C2 ZINC000895214540 630037569 /nfs/dbraw/zinc/03/75/69/630037569.db2.gz DUEVMLPZJAHDEG-UHFFFAOYSA-N 2 1 260.381 2.353 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C(F)(F)F ZINC000796875985 630050565 /nfs/dbraw/zinc/05/05/65/630050565.db2.gz UVMARRROJPTMPV-WHOHXGKFSA-N 2 1 280.334 2.026 20 0 CEADMP C[C@@H](CC[NH2+]Cc1cccc(Cl)c1N)[NH+](C)C ZINC000895291013 630081471 /nfs/dbraw/zinc/08/14/71/630081471.db2.gz XUGACRXLRGPPHJ-JTQLQIEISA-N 2 1 255.793 2.352 20 0 CEADMP C[C@H](CC[NH2+]Cc1cc(F)ccc1N(C)C)[NH+](C)C ZINC000895290258 630082410 /nfs/dbraw/zinc/08/24/10/630082410.db2.gz FGDYXLCMDPIESW-GFCCVEGCSA-N 2 1 267.392 2.322 20 0 CEADMP CCOC(CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)OCC ZINC000796961401 630083126 /nfs/dbraw/zinc/08/31/26/630083126.db2.gz MRENTJDKWWCELJ-RRFJBIMHSA-N 2 1 284.444 2.238 20 0 CEADMP Cc1nn(C)cc1C[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895378641 630149782 /nfs/dbraw/zinc/14/97/82/630149782.db2.gz RJXAYHQYKOHWGZ-BBRMVZONSA-N 2 1 278.444 2.281 20 0 CEADMP Cc1nn(C)cc1C[N@@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895378641 630149786 /nfs/dbraw/zinc/14/97/86/630149786.db2.gz RJXAYHQYKOHWGZ-BBRMVZONSA-N 2 1 278.444 2.281 20 0 CEADMP CC(C)CCO[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000895490589 630217557 /nfs/dbraw/zinc/21/75/57/630217557.db2.gz BPXACLHXFOGFKB-MRXNPFEDSA-N 2 1 268.445 2.465 20 0 CEADMP CCC[C@@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)OC ZINC000895558774 630249725 /nfs/dbraw/zinc/24/97/25/630249725.db2.gz ZYLLQJZHTVADNY-ZBFHGGJFSA-N 2 1 277.412 2.407 20 0 CEADMP COC[C@H](C)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895683960 630305736 /nfs/dbraw/zinc/30/57/36/630305736.db2.gz YWTPRMPEFNMGBV-OAHLLOKOSA-N 2 1 256.434 2.467 20 0 CEADMP C[C@H]1[C@H](Nc2ccncc2C(F)(F)F)CC[N@H+]1C ZINC000895734451 630324809 /nfs/dbraw/zinc/32/48/09/630324809.db2.gz MUHRBXAQBDTOGO-WCBMZHEXSA-N 2 1 259.275 2.027 20 0 CEADMP C[C@H]1[C@H](Nc2cc[nH+]cc2C(F)(F)F)CC[N@@H+]1C ZINC000895734451 630324811 /nfs/dbraw/zinc/32/48/11/630324811.db2.gz MUHRBXAQBDTOGO-WCBMZHEXSA-N 2 1 259.275 2.027 20 0 CEADMP C[C@H]1[C@H](Nc2cc[nH+]cc2C(F)(F)F)CC[N@H+]1C ZINC000895734451 630324814 /nfs/dbraw/zinc/32/48/14/630324814.db2.gz MUHRBXAQBDTOGO-WCBMZHEXSA-N 2 1 259.275 2.027 20 0 CEADMP COc1ccc2c(NC[C@@H]3CC[N@H+]3C)cc[nH+]c2c1 ZINC000895771317 630339974 /nfs/dbraw/zinc/33/99/74/630339974.db2.gz XFLOENVZZDLMDZ-NSHDSACASA-N 2 1 257.337 2.359 20 0 CEADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000896734933 630652505 /nfs/dbraw/zinc/65/25/05/630652505.db2.gz KIFYHUZWDWSJGN-HUUCEWRRSA-N 2 1 295.471 2.050 20 0 CEADMP CCO[C@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)C[NH+](C)C ZINC000896879838 630699134 /nfs/dbraw/zinc/69/91/34/630699134.db2.gz ICNGTNDZRLQTNK-BBWFWOEESA-N 2 1 276.424 2.346 20 0 CEADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904316498 635563322 /nfs/dbraw/zinc/56/33/22/635563322.db2.gz NHQCJUNPTWZELU-RDJZCZTQSA-N 2 1 295.471 2.004 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000904321814 635567396 /nfs/dbraw/zinc/56/73/96/635567396.db2.gz HECBINSBVSYNMT-OFQRWUPVSA-N 2 1 262.372 2.427 20 0 CEADMP CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904321950 635567925 /nfs/dbraw/zinc/56/79/25/635567925.db2.gz LASBPNMOBVRTGS-IXDOHACOSA-N 2 1 276.424 2.243 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCc2c(F)cc(O)cc2F)CC[N@H+]1C ZINC000897304562 631069827 /nfs/dbraw/zinc/06/98/27/631069827.db2.gz GMPIQDXTQNZXKP-WDEREUQCSA-N 2 1 284.350 2.285 20 0 CEADMP CC(C)[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000985427317 631071636 /nfs/dbraw/zinc/07/16/36/631071636.db2.gz YGJGYPKEXAVUHV-MRXNPFEDSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000985427317 631071641 /nfs/dbraw/zinc/07/16/41/631071641.db2.gz YGJGYPKEXAVUHV-MRXNPFEDSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000985427317 631071648 /nfs/dbraw/zinc/07/16/48/631071648.db2.gz YGJGYPKEXAVUHV-MRXNPFEDSA-N 2 1 295.471 2.190 20 0 CEADMP CCC[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000985568759 631142677 /nfs/dbraw/zinc/14/26/77/631142677.db2.gz MSBPHYHEIPVIKU-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@@H](C)[C@H](C)C2=O)CC1 ZINC000840003823 631572992 /nfs/dbraw/zinc/57/29/92/631572992.db2.gz NYMIDCAMLXQUAY-CABCVRRESA-N 2 1 295.471 2.111 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CC3Cc4ccccc4C3)C[C@]2(C)C1 ZINC000897621683 631825856 /nfs/dbraw/zinc/82/58/56/631825856.db2.gz NLOGSIWDNTYLRW-MSOLQXFVSA-N 2 1 270.420 2.285 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CC3Cc4ccccc4C3)C[C@]2(C)C1 ZINC000897621683 631825861 /nfs/dbraw/zinc/82/58/61/631825861.db2.gz NLOGSIWDNTYLRW-MSOLQXFVSA-N 2 1 270.420 2.285 20 0 CEADMP C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897909508 631974166 /nfs/dbraw/zinc/97/41/66/631974166.db2.gz VLRSENLLWLPLTQ-CYBMUJFWSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@@H](Cc1cccnc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000897967642 631995432 /nfs/dbraw/zinc/99/54/32/631995432.db2.gz VQPUBRDAGXCCSI-ZFWWWQNUSA-N 2 1 261.413 2.475 20 0 CEADMP CN(CCC[N@@H+](C)Cc1ccc(CF)cc1)CC[NH+](C)C ZINC000808781893 632015964 /nfs/dbraw/zinc/01/59/64/632015964.db2.gz WHCFHDZPNCQVEW-UHFFFAOYSA-N 2 1 295.446 2.471 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@]23C[C@H]2COC32CCC2)CC[N@H+]1C ZINC000898061293 632038347 /nfs/dbraw/zinc/03/83/47/632038347.db2.gz BWMBJFOGAKIZID-LXTVHRRPSA-N 2 1 264.413 2.018 20 0 CEADMP Cc1ncccc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000898251437 632123458 /nfs/dbraw/zinc/12/34/58/632123458.db2.gz DPBVZNPJZUOOGU-UHFFFAOYSA-N 2 1 259.397 2.149 20 0 CEADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCC=CO1 ZINC000809749706 632139147 /nfs/dbraw/zinc/13/91/47/632139147.db2.gz JKYWHWMVGCKBJB-OAHLLOKOSA-N 2 1 252.402 2.487 20 0 CEADMP CCCC[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000989728734 632232582 /nfs/dbraw/zinc/23/25/82/632232582.db2.gz SYBNJPRAIVGMQJ-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H]1CCOC12CCOCC2)[NH+]1CCCC1 ZINC000924630282 632361133 /nfs/dbraw/zinc/36/11/33/632361133.db2.gz AIUWVRFPQVOPED-HZPDHXFCSA-N 2 1 296.455 2.035 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H]1CC2CCC1CC2)C[NH+](C)C ZINC000926958252 632385401 /nfs/dbraw/zinc/38/54/01/632385401.db2.gz FIQLBLRHNZGZIL-PFSRBDOWSA-N 2 1 254.418 2.121 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CCC[C@@H]1C(C)C)C[NH+](C)C ZINC000926959207 632386719 /nfs/dbraw/zinc/38/67/19/632386719.db2.gz ACENIGNYMSNPQB-KFWWJZLASA-N 2 1 256.434 2.367 20 0 CEADMP CCO[C@@H](C[NH2+][C@H]1CCC12CCCC2)C[NH+](C)C ZINC000926962650 632389879 /nfs/dbraw/zinc/38/98/79/632389879.db2.gz RKZPSBORKHQHAZ-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CCC[C@@H]1CCCF)C[NH+](C)C ZINC000926962059 632390380 /nfs/dbraw/zinc/39/03/80/632390380.db2.gz QKYZFUDEXVNPFL-KFWWJZLASA-N 2 1 274.424 2.461 20 0 CEADMP COCC[N@@H+](C)CCCN[C@H](C)c1cnn(C2CCC2)c1 ZINC000924653322 632395891 /nfs/dbraw/zinc/39/58/91/632395891.db2.gz IXBAQFGSMMLMCC-CQSZACIVSA-N 2 1 294.443 2.227 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000924653322 632395897 /nfs/dbraw/zinc/39/58/97/632395897.db2.gz IXBAQFGSMMLMCC-CQSZACIVSA-N 2 1 294.443 2.227 20 0 CEADMP CON1CCC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000924686041 632418408 /nfs/dbraw/zinc/41/84/08/632418408.db2.gz KCNVJVIAMXBHIS-HNNXBMFYSA-N 2 1 283.460 2.256 20 0 CEADMP Cn1nc(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1C1CC1 ZINC000927108809 632466174 /nfs/dbraw/zinc/46/61/74/632466174.db2.gz TVJXCCNWQPRRIB-JYJNAYRXSA-N 2 1 288.439 2.260 20 0 CEADMP Cn1nc(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1C1CC1 ZINC000927108809 632466177 /nfs/dbraw/zinc/46/61/77/632466177.db2.gz TVJXCCNWQPRRIB-JYJNAYRXSA-N 2 1 288.439 2.260 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H](C)C2CC2)C1 ZINC000899264556 632761923 /nfs/dbraw/zinc/76/19/23/632761923.db2.gz IGTXKXIFVSLAPC-QWHCGFSZSA-N 2 1 266.433 2.019 20 0 CEADMP CC[C@@](O)(C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C)C(F)(F)F ZINC000905132311 635838139 /nfs/dbraw/zinc/83/81/39/635838139.db2.gz MDPZBZCQRFPCLL-CMPLNLGQSA-N 2 1 284.366 2.256 20 0 CEADMP CC1CC[NH+](CCN2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000815145011 632971475 /nfs/dbraw/zinc/97/14/75/632971475.db2.gz MSXURBRILRXLDS-QGZVFWFLSA-N 2 1 279.472 2.136 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1C)[C@@H]1CCC[NH2+]1 ZINC000817890567 633752762 /nfs/dbraw/zinc/75/27/62/633752762.db2.gz UJKNLNLRKOJRHT-OWCLPIDISA-N 2 1 262.397 2.149 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000817889122 633752861 /nfs/dbraw/zinc/75/28/61/633752861.db2.gz MOJCXBSUXLZDBE-BLLLJJGKSA-N 2 1 271.364 2.187 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000817898440 633759035 /nfs/dbraw/zinc/75/90/35/633759035.db2.gz FSEVAGWKZRZLJT-KKUMJFAQSA-N 2 1 282.815 2.494 20 0 CEADMP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1c[nH+]ccc1N ZINC000817898277 633759391 /nfs/dbraw/zinc/75/93/91/633759391.db2.gz DRZCOGHRLCUDJB-BMIGLBTASA-N 2 1 275.327 2.017 20 0 CEADMP C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1c[nH+]ccc1N ZINC000817913976 633772016 /nfs/dbraw/zinc/77/20/16/633772016.db2.gz SOILAOODAAGGME-HZMBPMFUSA-N 2 1 277.393 2.114 20 0 CEADMP C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1c[nH+]ccc1N ZINC000817913977 633772219 /nfs/dbraw/zinc/77/22/19/633772219.db2.gz SOILAOODAAGGME-IINYFYTJSA-N 2 1 277.393 2.114 20 0 CEADMP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000817914365 633773274 /nfs/dbraw/zinc/77/32/74/633773274.db2.gz YZJLCRHSABBUOC-RFGFWPKPSA-N 2 1 266.385 2.212 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)cnc1Cl ZINC000817933573 633786869 /nfs/dbraw/zinc/78/68/69/633786869.db2.gz KMJGOAYOFCQRGQ-LDYMZIIASA-N 2 1 257.740 2.091 20 0 CEADMP FC(F)(F)C1CCC([NH2+]CC[NH2+]C2CC2)CC1 ZINC000817952534 633790638 /nfs/dbraw/zinc/79/06/38/633790638.db2.gz FUURZZRWFIRWTF-UHFFFAOYSA-N 2 1 250.308 2.449 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000817977928 633821222 /nfs/dbraw/zinc/82/12/22/633821222.db2.gz RRPQNINTYNBKDV-UTUOFQBUSA-N 2 1 277.368 2.030 20 0 CEADMP C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C(C)(C)C[NH+](C)C ZINC000900832855 633862112 /nfs/dbraw/zinc/86/21/12/633862112.db2.gz PTFLCFMQAYQRAB-KKUMJFAQSA-N 2 1 295.471 2.096 20 0 CEADMP CCCCOC(=O)[C@@H](C)[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000818341134 633912919 /nfs/dbraw/zinc/91/29/19/633912919.db2.gz WIKFERYQFGXJCT-UONOGXRCSA-N 2 1 282.428 2.182 20 0 CEADMP CCCCOC(=O)[C@H](C)[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000818341133 633912937 /nfs/dbraw/zinc/91/29/37/633912937.db2.gz WIKFERYQFGXJCT-KGLIPLIRSA-N 2 1 282.428 2.182 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cnc1Cl ZINC000818430900 633921039 /nfs/dbraw/zinc/92/10/39/633921039.db2.gz BBWYMUBFEHTYEZ-VXGBXAGGSA-N 2 1 253.777 2.403 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000818965290 634019419 /nfs/dbraw/zinc/01/94/19/634019419.db2.gz HBZPQDKZJJCENM-BLLLJJGKSA-N 2 1 291.370 2.290 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000818965292 634020598 /nfs/dbraw/zinc/02/05/98/634020598.db2.gz HBZPQDKZJJCENM-LRDDRELGSA-N 2 1 291.370 2.290 20 0 CEADMP CCCCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000819105400 634069483 /nfs/dbraw/zinc/06/94/83/634069483.db2.gz LDCYDJZLKKHBOR-ILXRZTDVSA-N 2 1 256.434 2.390 20 0 CEADMP C[C@@]1(C[NH2+]C[C@H](O)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000819284007 634127841 /nfs/dbraw/zinc/12/78/41/634127841.db2.gz NYLLHBINDCQCBQ-ROUUACIJSA-N 2 1 288.435 2.259 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@H](O)c1ccccc1F)C1CC1 ZINC000819362397 634155117 /nfs/dbraw/zinc/15/51/17/634155117.db2.gz OZCXMEPLBHUYBW-INIZCTEOSA-N 2 1 280.387 2.323 20 0 CEADMP Cc1noc(C)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000237525130 634262545 /nfs/dbraw/zinc/26/25/45/634262545.db2.gz GPINZCXLPGYFCM-SNVBAGLBSA-N 2 1 262.357 2.222 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1(C)C ZINC000902981274 634917918 /nfs/dbraw/zinc/91/79/18/634917918.db2.gz KRRKSBIJGQVJTF-GJZGRUSLSA-N 2 1 279.472 2.181 20 0 CEADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000903091733 634974246 /nfs/dbraw/zinc/97/42/46/634974246.db2.gz ZMNPVTJIMRSVSB-RRFJBIMHSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903093744 634975347 /nfs/dbraw/zinc/97/53/47/634975347.db2.gz UFBFYTPCHJCDKL-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCOC23CCCC3)CCCO1 ZINC000903158513 634993196 /nfs/dbraw/zinc/99/31/96/634993196.db2.gz BDTOVFVNQZVWTM-HZPDHXFCSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@H]1CSC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903170105 635004193 /nfs/dbraw/zinc/00/41/93/635004193.db2.gz FTGDBGMMAIVRNC-VHOIETNVSA-N 2 1 266.454 2.485 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CCc2ccccc2)CC[N@@H+]1C ZINC000903290568 635053792 /nfs/dbraw/zinc/05/37/92/635053792.db2.gz YXHQOKPLWJRHOC-HYVNUMGLSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CCc2ccccc2)CC[N@H+]1C ZINC000903290568 635053798 /nfs/dbraw/zinc/05/37/98/635053798.db2.gz YXHQOKPLWJRHOC-HYVNUMGLSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@](O)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000903310256 635059921 /nfs/dbraw/zinc/05/99/21/635059921.db2.gz PFNXJPJGNRUENL-KRWDZBQOSA-N 2 1 292.398 2.250 20 0 CEADMP C[C@H]([NH2+]Cc1cn(C)cn1)c1cccc(C[NH+](C)C)c1 ZINC000903353025 635081575 /nfs/dbraw/zinc/08/15/75/635081575.db2.gz YZDURHYJAPPUIB-ZDUSSCGKSA-N 2 1 272.396 2.333 20 0 CEADMP COCC[N@@H+](CCc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430850 635114457 /nfs/dbraw/zinc/11/44/57/635114457.db2.gz DTURODJSXQTGBV-SJORKVTESA-N 2 1 276.424 2.305 20 0 CEADMP COc1ccc(CCC[N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903433009 635115809 /nfs/dbraw/zinc/11/58/09/635115809.db2.gz QPPSULDGADHEMD-ZBFHGGJFSA-N 2 1 276.424 2.415 20 0 CEADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000903439972 635118979 /nfs/dbraw/zinc/11/89/79/635118979.db2.gz RVWBEBJXPJPSQL-XJFOESAGSA-N 2 1 254.418 2.249 20 0 CEADMP CO[C@]1(C)C[C@@H]([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000903440804 635120822 /nfs/dbraw/zinc/12/08/22/635120822.db2.gz DEDUTFQMIDOUGX-QVHKTLOISA-N 2 1 254.418 2.249 20 0 CEADMP COC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)c(F)c1 ZINC000903458501 635123719 /nfs/dbraw/zinc/12/37/19/635123719.db2.gz BLDDXEPCXCLLOE-GMXABZIVSA-N 2 1 284.350 2.097 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000903463431 635127053 /nfs/dbraw/zinc/12/70/53/635127053.db2.gz AYPDEGDTSWCKFH-FXUDXRNXSA-N 2 1 266.429 2.123 20 0 CEADMP C[N@H+](Cc1nccn1CC(F)(F)F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903442475 635129722 /nfs/dbraw/zinc/12/97/22/635129722.db2.gz RYPVSCKKHIOTTR-MNOVXSKESA-N 2 1 290.333 2.005 20 0 CEADMP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CCC4(C3)CC[NH2+]CC4)C[C@@H]21 ZINC000903447131 635133142 /nfs/dbraw/zinc/13/31/42/635133142.db2.gz GGPXLYNFYKRDBQ-XYYAHUGASA-N 2 1 270.367 2.353 20 0 CEADMP c1cc(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)sn1 ZINC000903453574 635136665 /nfs/dbraw/zinc/13/66/65/635136665.db2.gz CFUXZMUROFMBTI-KBPBESRZSA-N 2 1 279.453 2.397 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1)c1nccs1 ZINC000903454403 635138035 /nfs/dbraw/zinc/13/80/35/635138035.db2.gz BJNBDDSFMVQULT-UTUOFQBUSA-N 2 1 253.415 2.306 20 0 CEADMP COC(=O)[C@H](c1ccccc1C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499717 635154349 /nfs/dbraw/zinc/15/43/49/635154349.db2.gz MGILZESXXYNLOD-FMKPAKJESA-N 2 1 290.407 2.126 20 0 CEADMP Cc1cc(C)cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903494311 635157446 /nfs/dbraw/zinc/15/74/46/635157446.db2.gz BQZKXTFQYRZVQQ-HUUCEWRRSA-N 2 1 289.423 2.159 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494515 635157890 /nfs/dbraw/zinc/15/78/90/635157890.db2.gz IAOJWOYYAZQFBR-QKPAOTATSA-N 2 1 295.471 2.083 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000903565375 635164960 /nfs/dbraw/zinc/16/49/60/635164960.db2.gz IKZRVPWNJBFQEM-GFCCVEGCSA-N 2 1 253.415 2.007 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000903565375 635164962 /nfs/dbraw/zinc/16/49/62/635164962.db2.gz IKZRVPWNJBFQEM-GFCCVEGCSA-N 2 1 253.415 2.007 20 0 CEADMP CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1CCCCCCC[NH3+] ZINC000903575446 635170132 /nfs/dbraw/zinc/17/01/32/635170132.db2.gz PHMOFCFOPWYLGU-AWEZNQCLSA-N 2 1 283.460 2.275 20 0 CEADMP CC[N@@H+](CCc1ccccc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903721671 635235189 /nfs/dbraw/zinc/23/51/89/635235189.db2.gz CXMGTXRTIKDASV-ROUUACIJSA-N 2 1 288.435 2.320 20 0 CEADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000903725605 635238130 /nfs/dbraw/zinc/23/81/30/635238130.db2.gz DODNCQXWNZQBRH-QXSJWSMHSA-N 2 1 264.413 2.020 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728401 635239820 /nfs/dbraw/zinc/23/98/20/635239820.db2.gz ALEIMFOEHGJXLF-JSRQGNBESA-N 2 1 278.440 2.408 20 0 CEADMP CCOC[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903729250 635241245 /nfs/dbraw/zinc/24/12/45/635241245.db2.gz LJKNAYLBEIBFQI-LSDHHAIUSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@@H]1Cc2ccccc2C[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903734176 635250725 /nfs/dbraw/zinc/25/07/25/635250725.db2.gz PMBGWNXALGPNRF-OLMNPRSZSA-N 2 1 286.419 2.202 20 0 CEADMP CC[C@@H]1CCCCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903734417 635250767 /nfs/dbraw/zinc/25/07/67/635250767.db2.gz QKKUPBFHGWWRRG-OAGGEKHMSA-N 2 1 266.429 2.410 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903740929 635254330 /nfs/dbraw/zinc/25/43/30/635254330.db2.gz MNRGYNLGCMXOJX-CVEARBPZSA-N 2 1 267.461 2.040 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C[C@@H]1C[NH3+] ZINC000903760480 635255559 /nfs/dbraw/zinc/25/55/59/635255559.db2.gz XFQLXROCABHBFT-VOAKCMCISA-N 2 1 294.361 2.403 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C[C@@H]1C[NH3+] ZINC000903760480 635255562 /nfs/dbraw/zinc/25/55/62/635255562.db2.gz XFQLXROCABHBFT-VOAKCMCISA-N 2 1 294.361 2.403 20 0 CEADMP [NH3+]C1(C[NH2+]CCOc2ccc(F)c(Cl)c2)CCC1 ZINC000903744699 635256196 /nfs/dbraw/zinc/25/61/96/635256196.db2.gz WYEZGQKFRSUFAS-UHFFFAOYSA-N 2 1 272.751 2.329 20 0 CEADMP CC(C)[N@@H+](CC1CCC1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903759910 635256328 /nfs/dbraw/zinc/25/63/28/635256328.db2.gz UCNIBQODNVMUDP-HZPDHXFCSA-N 2 1 266.429 2.266 20 0 CEADMP c1cncc([C@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)c1 ZINC000903763204 635257694 /nfs/dbraw/zinc/25/76/94/635257694.db2.gz IHHXBVSLDVNTOG-ZBFHGGJFSA-N 2 1 259.397 2.261 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C[C@H]1C[NH3+] ZINC000903774865 635264857 /nfs/dbraw/zinc/26/48/57/635264857.db2.gz ARBXHUNDRJTPGG-WYUUTHIRSA-N 2 1 280.334 2.013 20 0 CEADMP COC(=O)CC[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903779807 635265566 /nfs/dbraw/zinc/26/55/66/635265566.db2.gz BIQPKFUQHJXHFM-CABCVRRESA-N 2 1 282.428 2.041 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903788323 635270774 /nfs/dbraw/zinc/27/07/74/635270774.db2.gz IORNWWVOCXYNEG-IJLUTSLNSA-N 2 1 280.334 2.157 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]3CC[C@@]32C[NH3+])c1C ZINC000903800530 635276727 /nfs/dbraw/zinc/27/67/27/635276727.db2.gz WHXLHMLRHARCBO-RHSMWYFYSA-N 2 1 289.423 2.410 20 0 CEADMP CO[C@H](C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+])C1CCCC1 ZINC000903803465 635279855 /nfs/dbraw/zinc/27/98/55/635279855.db2.gz YIEFOTCGNGSZMS-BZUAXINKSA-N 2 1 266.429 2.395 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+])C1CCCC1 ZINC000903803465 635279861 /nfs/dbraw/zinc/27/98/61/635279861.db2.gz YIEFOTCGNGSZMS-BZUAXINKSA-N 2 1 266.429 2.395 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2C[C@H](O)CCc1ccccc1 ZINC000903804214 635280823 /nfs/dbraw/zinc/28/08/23/635280823.db2.gz AXDMBULJAZHKDK-KZNAEPCWSA-N 2 1 288.435 2.183 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2C[C@H](O)CCc1ccccc1 ZINC000903804214 635280827 /nfs/dbraw/zinc/28/08/27/635280827.db2.gz AXDMBULJAZHKDK-KZNAEPCWSA-N 2 1 288.435 2.183 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000903807805 635282074 /nfs/dbraw/zinc/28/20/74/635282074.db2.gz UVFNWYJGJYOULK-CABCVRRESA-N 2 1 284.444 2.021 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000903807805 635282078 /nfs/dbraw/zinc/28/20/78/635282078.db2.gz UVFNWYJGJYOULK-CABCVRRESA-N 2 1 284.444 2.021 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)nn1C ZINC000903811528 635284182 /nfs/dbraw/zinc/28/41/82/635284182.db2.gz MIVXHTJXJQBKAG-HNNXBMFYSA-N 2 1 276.428 2.212 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)nn1C ZINC000903811528 635284185 /nfs/dbraw/zinc/28/41/85/635284185.db2.gz MIVXHTJXJQBKAG-HNNXBMFYSA-N 2 1 276.428 2.212 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1c1ccccc1 ZINC000903831907 635296771 /nfs/dbraw/zinc/29/67/71/635296771.db2.gz NMTMVZLIPFVLJP-XHSDSOJGSA-N 2 1 273.424 2.325 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc3c(c1)OC(F)(F)O3)C2 ZINC000903838296 635298580 /nfs/dbraw/zinc/29/85/80/635298580.db2.gz BMCQBAIYCWZLGY-TUAOUCFPSA-N 2 1 296.317 2.320 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc3c(c(Cl)c1)OCO3)C2 ZINC000903848949 635303277 /nfs/dbraw/zinc/30/32/77/635303277.db2.gz VIRYJOQSONEPDL-DLOVCJGASA-N 2 1 294.782 2.380 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)C2 ZINC000903848949 635303279 /nfs/dbraw/zinc/30/32/79/635303279.db2.gz VIRYJOQSONEPDL-DLOVCJGASA-N 2 1 294.782 2.380 20 0 CEADMP COc1cccc(CCC[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903857394 635307338 /nfs/dbraw/zinc/30/73/38/635307338.db2.gz UVXCMRSCHXDUGF-NVXWUHKLSA-N 2 1 274.408 2.441 20 0 CEADMP COc1cccc(CCC[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903857394 635307346 /nfs/dbraw/zinc/30/73/46/635307346.db2.gz UVXCMRSCHXDUGF-NVXWUHKLSA-N 2 1 274.408 2.441 20 0 CEADMP CCOc1ccc(CC[N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903864142 635313966 /nfs/dbraw/zinc/31/39/66/635313966.db2.gz SGKSRSLQPYBKSC-ZBFHGGJFSA-N 2 1 276.424 2.415 20 0 CEADMP CC(C)(C)[C@H]1CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903890907 635317404 /nfs/dbraw/zinc/31/74/04/635317404.db2.gz HWMFMODHZGDVFY-DZGCQCFKSA-N 2 1 291.443 2.213 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+]([C@@H](C)C2CC2)C2CC2)cnn1C ZINC000903883514 635326168 /nfs/dbraw/zinc/32/61/68/635326168.db2.gz IOOWJEHOYWFIBQ-UONOGXRCSA-N 2 1 290.455 2.109 20 0 CEADMP CC[C@@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903895586 635331668 /nfs/dbraw/zinc/33/16/68/635331668.db2.gz OOXOWGIXZAJVAL-HUUCEWRRSA-N 2 1 291.443 2.215 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000903897223 635332638 /nfs/dbraw/zinc/33/26/38/635332638.db2.gz GFMUMDUVTDFZKU-CABCVRRESA-N 2 1 297.393 2.175 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000903911234 635344772 /nfs/dbraw/zinc/34/47/72/635344772.db2.gz ZQTQIQKMAJPOKG-VDBQLOCMSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903911192 635344911 /nfs/dbraw/zinc/34/49/11/635344911.db2.gz YPFKPVQTXNLCKF-HBUWYVDXSA-N 2 1 288.435 2.314 20 0 CEADMP CCOCc1ccccc1C[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903925973 635352569 /nfs/dbraw/zinc/35/25/69/635352569.db2.gz QIEGFLGLKJDSNE-CYBMUJFWSA-N 2 1 272.339 2.295 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1C ZINC000903977536 635394657 /nfs/dbraw/zinc/39/46/57/635394657.db2.gz SHAXPBZMOPEMBX-IUODEOHRSA-N 2 1 278.444 2.327 20 0 CEADMP COc1ccc(Cl)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903965148 635400094 /nfs/dbraw/zinc/40/00/94/635400094.db2.gz XWAGSHURYOJXQW-PWSUYJOCSA-N 2 1 268.788 2.294 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1cnn2c1CCC2 ZINC000824863998 635515192 /nfs/dbraw/zinc/51/51/92/635515192.db2.gz YPFCSFCGNCRPII-OAHLLOKOSA-N 2 1 276.428 2.136 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(C(=O)OC)c(C)c2)CC[C@@H]1[NH3+] ZINC000904301999 635555548 /nfs/dbraw/zinc/55/55/48/635555548.db2.gz SIANTYLYIAOORB-ZBFHGGJFSA-N 2 1 290.407 2.341 20 0 CEADMP CCN(CC)CC[N@@H+](CC(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309258 635558558 /nfs/dbraw/zinc/55/85/58/635558558.db2.gz FNDFONWJGXKYNZ-GASCZTMLSA-N 2 1 255.450 2.024 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@@]1(C)CCC[NH2+]C1)CC2 ZINC000904337110 635562837 /nfs/dbraw/zinc/56/28/37/635562837.db2.gz NYESIHHIPBYQQK-SFHVURJKSA-N 2 1 288.435 2.486 20 0 CEADMP CC[NH+](CC)CC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904337194 635562915 /nfs/dbraw/zinc/56/29/15/635562915.db2.gz QLQUBMFFRBPYBS-KRWDZBQOSA-N 2 1 281.488 2.430 20 0 CEADMP C[C@H](O)[C@@H]1CCC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904329704 635574734 /nfs/dbraw/zinc/57/47/34/635574734.db2.gz RKNNKCXDRHKUIS-BFHYXJOUSA-N 2 1 256.434 2.233 20 0 CEADMP C[C@H](O)[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904329704 635574737 /nfs/dbraw/zinc/57/47/37/635574737.db2.gz RKNNKCXDRHKUIS-BFHYXJOUSA-N 2 1 256.434 2.233 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000904328273 635573687 /nfs/dbraw/zinc/57/36/87/635573687.db2.gz NBYMTOZYXFLGKN-GJZGRUSLSA-N 2 1 293.459 2.144 20 0 CEADMP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000904328273 635573691 /nfs/dbraw/zinc/57/36/91/635573691.db2.gz NBYMTOZYXFLGKN-GJZGRUSLSA-N 2 1 293.459 2.144 20 0 CEADMP c1cc2c(cc1C[N@@H+]1CC[C@H]3[NH2+]CC[C@@H]3C1)CCCO2 ZINC000904351095 635585565 /nfs/dbraw/zinc/58/55/65/635585565.db2.gz UWFDUVUFVGBDAA-HZPDHXFCSA-N 2 1 272.392 2.195 20 0 CEADMP c1cc2c(cc1C[N@H+]1CC[C@H]3[NH2+]CC[C@@H]3C1)CCCO2 ZINC000904351095 635585566 /nfs/dbraw/zinc/58/55/66/635585566.db2.gz UWFDUVUFVGBDAA-HZPDHXFCSA-N 2 1 272.392 2.195 20 0 CEADMP CC(C)C[N@@H+](Cc1cnn(C)c1)C[C@]1(C)CCC[NH2+]C1 ZINC000904371480 635593739 /nfs/dbraw/zinc/59/37/39/635593739.db2.gz OCEGHJJWCMDERH-MRXNPFEDSA-N 2 1 278.444 2.268 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)CC[C@H]1C[NH3+] ZINC000904410058 635616454 /nfs/dbraw/zinc/61/64/54/635616454.db2.gz CEEJGCXJQMHMMW-DYEKYZERSA-N 2 1 295.452 2.411 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000904410523 635616668 /nfs/dbraw/zinc/61/66/68/635616668.db2.gz HEJZRPBRPZYDKT-DOMZBBRYSA-N 2 1 278.444 2.327 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc(C3CC3)s2)CC[C@H]1C[NH3+] ZINC000904412839 635620029 /nfs/dbraw/zinc/62/00/29/635620029.db2.gz ZZOSPVGBQYMLDF-JQWIXIFHSA-N 2 1 265.426 2.437 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC[C@@H]1C[NH3+] ZINC000904412889 635620512 /nfs/dbraw/zinc/62/05/12/635620512.db2.gz YNSPBQDEMOJYTF-IUODEOHRSA-N 2 1 260.381 2.038 20 0 CEADMP C[C@H](Cc1ccccc1)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420438 635631192 /nfs/dbraw/zinc/63/11/92/635631192.db2.gz OPIQHSBAELUCCY-HYVNUMGLSA-N 2 1 258.409 2.407 20 0 CEADMP CC1(C)Cc2cccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2O1 ZINC000904420221 635631652 /nfs/dbraw/zinc/63/16/52/635631652.db2.gz HDKPUTHXNLYUCS-GOEBONIOSA-N 2 1 286.419 2.441 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@H](Cc3nccs3)C2)CC[NH2+]C1 ZINC000904470534 635647455 /nfs/dbraw/zinc/64/74/55/635647455.db2.gz ZFDJIVJMNARNNE-OCCSQVGLSA-N 2 1 265.426 2.007 20 0 CEADMP Cc1c[nH]nc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904470737 635647525 /nfs/dbraw/zinc/64/75/25/635647525.db2.gz BMXABJKFSSUBJL-WMLDXEAASA-N 2 1 298.390 2.064 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)CC[NH2+]1 ZINC000904475467 635649839 /nfs/dbraw/zinc/64/98/39/635649839.db2.gz JYGBYLUFGQRTPS-FQUUOJAGSA-N 2 1 254.443 2.059 20 0 CEADMP CC(C)[N@@H+](C)CCNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904583530 635670933 /nfs/dbraw/zinc/67/09/33/635670933.db2.gz VRDUOYVATWSIRF-UHFFFAOYSA-N 2 1 292.427 2.342 20 0 CEADMP C[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000904573099 635678153 /nfs/dbraw/zinc/67/81/53/635678153.db2.gz RKGZIHIDSKJGRU-CQSZACIVSA-N 2 1 290.411 2.096 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1 ZINC000826674932 635810102 /nfs/dbraw/zinc/81/01/02/635810102.db2.gz XKNWDPACACYBFN-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000826674932 635810107 /nfs/dbraw/zinc/81/01/07/635810107.db2.gz XKNWDPACACYBFN-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000826674932 635810110 /nfs/dbraw/zinc/81/01/10/635810110.db2.gz XKNWDPACACYBFN-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)CC[C@@H]([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308616 636230167 /nfs/dbraw/zinc/23/01/67/636230167.db2.gz OJGGPDHFFGUTAS-GFCCVEGCSA-N 2 1 266.389 2.048 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCc2ccccc21 ZINC000906787927 636852765 /nfs/dbraw/zinc/85/27/65/636852765.db2.gz IHPWXEORQSULLS-WMZOPIPTSA-N 2 1 288.435 2.453 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCc2ccccc21 ZINC000906787927 636852768 /nfs/dbraw/zinc/85/27/68/636852768.db2.gz IHPWXEORQSULLS-WMZOPIPTSA-N 2 1 288.435 2.453 20 0 CEADMP CN(C)c1ccnc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC000907325194 636995140 /nfs/dbraw/zinc/99/51/40/636995140.db2.gz QEURWSZMCLUQBA-OCCSQVGLSA-N 2 1 288.395 2.103 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000832630449 637625371 /nfs/dbraw/zinc/62/53/71/637625371.db2.gz JZMXPBZUBZBDIV-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000832750102 637659579 /nfs/dbraw/zinc/65/95/79/637659579.db2.gz JJFOCLUIIKNHQL-LSDHHAIUSA-N 2 1 283.460 2.084 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(c2ccccc2)CC1 ZINC000909315236 637690791 /nfs/dbraw/zinc/69/07/91/637690791.db2.gz ZVUYENPDRKWAIG-SFHVURJKSA-N 2 1 288.435 2.323 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000834356839 637792570 /nfs/dbraw/zinc/79/25/70/637792570.db2.gz WONIKBNMXLLZRJ-XYPWUTKMSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCc2cc(C)nc(C)c2)C1 ZINC000911167630 638252238 /nfs/dbraw/zinc/25/22/38/638252238.db2.gz IDAQSXMBQFBVOL-MRXNPFEDSA-N 2 1 289.423 2.437 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000911682018 638354654 /nfs/dbraw/zinc/35/46/54/638354654.db2.gz FWANTDQTJPSOQQ-CQSZACIVSA-N 2 1 298.390 2.112 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)CC(C)C)C1 ZINC000911868910 638439288 /nfs/dbraw/zinc/43/92/88/638439288.db2.gz SKZCIXCLOIEUBX-MRXNPFEDSA-N 2 1 297.487 2.203 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC[N@H+](C)CC(C)C)C1 ZINC000911868910 638439296 /nfs/dbraw/zinc/43/92/96/638439296.db2.gz SKZCIXCLOIEUBX-MRXNPFEDSA-N 2 1 297.487 2.203 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NCCC[N@@H+](C)CC(C)C)C1 ZINC000911868910 638439302 /nfs/dbraw/zinc/43/93/02/638439302.db2.gz SKZCIXCLOIEUBX-MRXNPFEDSA-N 2 1 297.487 2.203 20 0 CEADMP Cc1ccccc1OCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163895593 639336253 /nfs/dbraw/zinc/33/62/53/639336253.db2.gz MRCCMUMEANLDOG-UKRRQHHQSA-N 2 1 262.397 2.291 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000877026539 639464531 /nfs/dbraw/zinc/46/45/31/639464531.db2.gz BXPWGKJEPYRHBX-UWVGGRQHSA-N 2 1 251.201 2.112 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3cccs3)C[C@H]21 ZINC000228475366 639636661 /nfs/dbraw/zinc/63/66/61/639636661.db2.gz HGXJUZCAMXAFMY-MRVWCRGKSA-N 2 1 250.411 2.350 20 0 CEADMP CO[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000877022400 650534673 /nfs/dbraw/zinc/53/46/73/650534673.db2.gz MUQBYMWFXWSZDO-IXDOHACOSA-N 2 1 296.455 2.035 20 0 CEADMP CO[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000877022400 650534674 /nfs/dbraw/zinc/53/46/74/650534674.db2.gz MUQBYMWFXWSZDO-IXDOHACOSA-N 2 1 296.455 2.035 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2ccccc2OC)C1 ZINC000088402619 639969368 /nfs/dbraw/zinc/96/93/68/639969368.db2.gz DHXPJUJNPBRUOS-AWEZNQCLSA-N 2 1 278.396 2.005 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2ccccc2OC)C1 ZINC000088402619 639969372 /nfs/dbraw/zinc/96/93/72/639969372.db2.gz DHXPJUJNPBRUOS-AWEZNQCLSA-N 2 1 278.396 2.005 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000842471536 640071157 /nfs/dbraw/zinc/07/11/57/640071157.db2.gz HTRZXSUMNTXAQL-INIZCTEOSA-N 2 1 295.471 2.134 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CN2CCOC2=S)CC1 ZINC000151801207 640083175 /nfs/dbraw/zinc/08/31/75/640083175.db2.gz FBMHJYCVRVNPHV-UHFFFAOYSA-N 2 1 299.484 2.005 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C1CCC(F)(F)CC1 ZINC000842669270 640143895 /nfs/dbraw/zinc/14/38/95/640143895.db2.gz LKNLNPVJAXIGDI-UHFFFAOYSA-N 2 1 264.360 2.122 20 0 CEADMP COC[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(C)C ZINC000929783424 640196396 /nfs/dbraw/zinc/19/63/96/640196396.db2.gz RIJHGVZMSGZVAZ-QLFBSQMISA-N 2 1 256.434 2.320 20 0 CEADMP COC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(C)C ZINC000929783424 640196399 /nfs/dbraw/zinc/19/63/99/640196399.db2.gz RIJHGVZMSGZVAZ-QLFBSQMISA-N 2 1 256.434 2.320 20 0 CEADMP COC[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000929783424 640196402 /nfs/dbraw/zinc/19/64/02/640196402.db2.gz RIJHGVZMSGZVAZ-QLFBSQMISA-N 2 1 256.434 2.320 20 0 CEADMP COC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000929783424 640196404 /nfs/dbraw/zinc/19/64/04/640196404.db2.gz RIJHGVZMSGZVAZ-QLFBSQMISA-N 2 1 256.434 2.320 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOC2CCSCC2)C1 ZINC000929789363 640209373 /nfs/dbraw/zinc/20/93/73/640209373.db2.gz DPMMGDAYPCBCAW-AWEZNQCLSA-N 2 1 286.485 2.172 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOC2CCSCC2)C1 ZINC000929789363 640209376 /nfs/dbraw/zinc/20/93/76/640209376.db2.gz DPMMGDAYPCBCAW-AWEZNQCLSA-N 2 1 286.485 2.172 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOC2CCSCC2)C1 ZINC000929789363 640209380 /nfs/dbraw/zinc/20/93/80/640209380.db2.gz DPMMGDAYPCBCAW-AWEZNQCLSA-N 2 1 286.485 2.172 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOC2CCSCC2)C1 ZINC000929789363 640209384 /nfs/dbraw/zinc/20/93/84/640209384.db2.gz DPMMGDAYPCBCAW-AWEZNQCLSA-N 2 1 286.485 2.172 20 0 CEADMP CCc1nn(C)c(Cl)c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055525 640257826 /nfs/dbraw/zinc/25/78/26/640257826.db2.gz FLFPQCZRAWDTKC-UHFFFAOYSA-N 2 1 284.835 2.338 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000843056290 640258886 /nfs/dbraw/zinc/25/88/86/640258886.db2.gz HJMKPPULQCCFGP-OAHLLOKOSA-N 2 1 287.411 2.073 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000843056290 640258892 /nfs/dbraw/zinc/25/88/92/640258892.db2.gz HJMKPPULQCCFGP-OAHLLOKOSA-N 2 1 287.411 2.073 20 0 CEADMP CC[NH+](CC)[C@H](c1nc(CC[NH3+])no1)c1ccccc1 ZINC000843132304 640297867 /nfs/dbraw/zinc/29/78/67/640297867.db2.gz RUNSWXWRYAHEKN-AWEZNQCLSA-N 2 1 274.368 2.002 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843386848 640413317 /nfs/dbraw/zinc/41/33/17/640413317.db2.gz OPOYARWJPXFTMW-HOTGVXAUSA-N 2 1 296.455 2.431 20 0 CEADMP C[N@H+]1CC=C(C[NH2+]Cc2nc(Cl)cs2)CC1 ZINC000877139192 650591724 /nfs/dbraw/zinc/59/17/24/650591724.db2.gz YCNSKPNDYCMUEQ-UHFFFAOYSA-N 2 1 257.790 2.148 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2nc(Cl)cs2)CC1 ZINC000877139192 650591725 /nfs/dbraw/zinc/59/17/25/650591725.db2.gz YCNSKPNDYCMUEQ-UHFFFAOYSA-N 2 1 257.790 2.148 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000844163278 640621217 /nfs/dbraw/zinc/62/12/17/640621217.db2.gz ZLQGHFRWESAGNU-CABCVRRESA-N 2 1 283.460 2.227 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCCCCC[NH3+])C[C@H]1C ZINC000844185695 640626070 /nfs/dbraw/zinc/62/60/70/640626070.db2.gz PATCXRRXVPQNNB-HUUCEWRRSA-N 2 1 283.460 2.227 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCCNc1ccccn1 ZINC000925480354 641153032 /nfs/dbraw/zinc/15/30/32/641153032.db2.gz VVVSDUREJHPUQA-UONOGXRCSA-N 2 1 262.401 2.004 20 0 CEADMP CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000846015237 641153144 /nfs/dbraw/zinc/15/31/44/641153144.db2.gz UVARGHDWIVHVPY-YPMHNXCESA-N 2 1 285.457 2.091 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000846175989 641213283 /nfs/dbraw/zinc/21/32/83/641213283.db2.gz AZRFYZGPTOPSSM-AWEZNQCLSA-N 2 1 264.417 2.355 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000846175989 641213288 /nfs/dbraw/zinc/21/32/88/641213288.db2.gz AZRFYZGPTOPSSM-AWEZNQCLSA-N 2 1 264.417 2.355 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCCCC[NH3+])C1 ZINC000846220611 641228376 /nfs/dbraw/zinc/22/83/76/641228376.db2.gz RMIHUKAMMDIOHM-INIZCTEOSA-N 3 1 267.461 2.169 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000846220611 641228381 /nfs/dbraw/zinc/22/83/81/641228381.db2.gz RMIHUKAMMDIOHM-INIZCTEOSA-N 3 1 267.461 2.169 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 ZINC000846220611 641228388 /nfs/dbraw/zinc/22/83/88/641228388.db2.gz RMIHUKAMMDIOHM-INIZCTEOSA-N 3 1 267.461 2.169 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000846222206 641230659 /nfs/dbraw/zinc/23/06/59/641230659.db2.gz ULNKKFXPAGFMCM-HNNXBMFYSA-N 2 1 253.434 2.066 20 0 CEADMP [NH3+]CCCCCCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000846222206 641230662 /nfs/dbraw/zinc/23/06/62/641230662.db2.gz ULNKKFXPAGFMCM-HNNXBMFYSA-N 2 1 253.434 2.066 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H]1COc2ccccc2O1 ZINC000250520892 641547744 /nfs/dbraw/zinc/54/77/44/641547744.db2.gz BZUIRKXQCXNMSN-KBPBESRZSA-N 2 1 276.380 2.030 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000070170593 641640176 /nfs/dbraw/zinc/64/01/76/641640176.db2.gz SZBKZWISKOITTJ-LLVKDONJSA-N 2 1 292.408 2.359 20 0 CEADMP CC(C)c1ccccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000848528633 642036694 /nfs/dbraw/zinc/03/66/94/642036694.db2.gz HIQWLLDUGHUHCQ-MRXNPFEDSA-N 2 1 276.424 2.356 20 0 CEADMP C[N@@H+](CCC[NH2+]Cc1cc[nH]c(=O)c1)Cc1ccccc1 ZINC000921511066 642073481 /nfs/dbraw/zinc/07/34/81/642073481.db2.gz ZQPVBDFRBYPWTN-UHFFFAOYSA-N 2 1 285.391 2.399 20 0 CEADMP CCC[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995914789 642082138 /nfs/dbraw/zinc/08/21/38/642082138.db2.gz LADDYFGCJMJXCD-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997059490 642178001 /nfs/dbraw/zinc/17/80/01/642178001.db2.gz DJWRMXPPZYTORI-INIZCTEOSA-N 2 1 295.471 2.240 20 0 CEADMP [NH2+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1CCC1 ZINC000848981630 642203879 /nfs/dbraw/zinc/20/38/79/642203879.db2.gz HESKCEVXDXHDDO-CYBMUJFWSA-N 2 1 276.384 2.083 20 0 CEADMP CC(C)[N@@H+](C)Cc1ccccc1CNC1=[NH+]CCCN1C ZINC000848985380 642207379 /nfs/dbraw/zinc/20/73/79/642207379.db2.gz HESRKKGEEYXMNG-UHFFFAOYSA-N 2 1 288.439 2.308 20 0 CEADMP CC(C)CCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000848987091 642209066 /nfs/dbraw/zinc/20/90/66/642209066.db2.gz HTOVSVUESUEMPQ-ZIAGYGMSSA-N 2 1 268.449 2.409 20 0 CEADMP C[C@H](CNC(=[NH2+])NC1CCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000848987140 642209083 /nfs/dbraw/zinc/20/90/83/642209083.db2.gz JZYWUICSLJAOCD-QWHCGFSZSA-N 2 1 266.433 2.163 20 0 CEADMP CCc1ccc(NC(=[NH2+])NCC[N@H+](C)C2CC2)cc1 ZINC000848997483 642216605 /nfs/dbraw/zinc/21/66/05/642216605.db2.gz KYJMDRWHFLFKJF-UHFFFAOYSA-N 2 1 260.385 2.279 20 0 CEADMP CCc1ccc(NC(=[NH2+])NCC[N@@H+](C)C2CC2)cc1 ZINC000848997483 642216610 /nfs/dbraw/zinc/21/66/10/642216610.db2.gz KYJMDRWHFLFKJF-UHFFFAOYSA-N 2 1 260.385 2.279 20 0 CEADMP CC(C)[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997180626 642228386 /nfs/dbraw/zinc/22/83/86/642228386.db2.gz LCYGGWZKHRDXTD-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@]1(CNC(=[NH2+])N2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000849026283 642239153 /nfs/dbraw/zinc/23/91/53/642239153.db2.gz RQLSXNUEQCUXHM-QGZVFWFLSA-N 2 1 286.423 2.129 20 0 CEADMP CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999974557 642524562 /nfs/dbraw/zinc/52/45/62/642524562.db2.gz PEHHFNQRBPNRQR-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921714786 642558464 /nfs/dbraw/zinc/55/84/64/642558464.db2.gz CIZBAMUGRXGKPJ-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921714786 642558469 /nfs/dbraw/zinc/55/84/69/642558469.db2.gz CIZBAMUGRXGKPJ-HNNXBMFYSA-N 2 1 276.428 2.115 20 0 CEADMP CS[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000921742851 642568826 /nfs/dbraw/zinc/56/88/26/642568826.db2.gz NXIIIYNAPMHOHG-ZIAGYGMSSA-N 2 1 286.485 2.361 20 0 CEADMP CS[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1 ZINC000921742849 642569110 /nfs/dbraw/zinc/56/91/10/642569110.db2.gz NXIIIYNAPMHOHG-KGLIPLIRSA-N 2 1 286.485 2.361 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925486835 642614901 /nfs/dbraw/zinc/61/49/01/642614901.db2.gz KGGBVTGWOOCXAG-KFWWJZLASA-N 2 1 265.445 2.110 20 0 CEADMP COc1cncc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000850277143 642649231 /nfs/dbraw/zinc/64/92/31/642649231.db2.gz XZMFTUONHUGOHE-UHFFFAOYSA-N 2 1 277.412 2.302 20 0 CEADMP CC(C)[N@@H+]1CC=C(CNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001000908215 642664077 /nfs/dbraw/zinc/66/40/77/642664077.db2.gz DBMDZMDIDURSQI-UHFFFAOYSA-N 2 1 298.390 2.105 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000850430706 642710124 /nfs/dbraw/zinc/71/01/24/642710124.db2.gz OMYDVEBIZMMBEJ-ZIAGYGMSSA-N 2 1 252.402 2.020 20 0 CEADMP C[NH+](C)CC1(C[NH2+]Cc2cnn(CCF)c2)CCCC1 ZINC000921997880 642834438 /nfs/dbraw/zinc/83/44/38/642834438.db2.gz RLHXXJLHWDBUGB-UHFFFAOYSA-N 2 1 282.407 2.064 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC001003012451 642891782 /nfs/dbraw/zinc/89/17/82/642891782.db2.gz VMWOPEPOWLCEIK-MRXNPFEDSA-N 2 1 295.471 2.238 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(OC)cc1C ZINC000922222427 642966205 /nfs/dbraw/zinc/96/62/05/642966205.db2.gz PTKSUOZURZJPOU-MRXNPFEDSA-N 2 1 294.439 2.186 20 0 CEADMP FCCn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000922268358 642991944 /nfs/dbraw/zinc/99/19/44/642991944.db2.gz DWOVCGHZRJZXAV-OAHLLOKOSA-N 2 1 294.418 2.064 20 0 CEADMP FCCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000922268358 642991949 /nfs/dbraw/zinc/99/19/49/642991949.db2.gz DWOVCGHZRJZXAV-OAHLLOKOSA-N 2 1 294.418 2.064 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000922283504 643000316 /nfs/dbraw/zinc/00/03/16/643000316.db2.gz BTNZEJGCDMHEKJ-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000922283504 643000320 /nfs/dbraw/zinc/00/03/20/643000320.db2.gz BTNZEJGCDMHEKJ-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@H]1CC=CCC1)C2 ZINC000922385361 643057402 /nfs/dbraw/zinc/05/74/02/643057402.db2.gz AOSZYQIQNXDDOD-OBVSXPTNSA-N 2 1 292.467 2.412 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@@H]1CC=CCC1)C2 ZINC000922385358 643057800 /nfs/dbraw/zinc/05/78/00/643057800.db2.gz AOSZYQIQNXDDOD-HSFUPAIVSA-N 2 1 292.467 2.412 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(OC)OC)CC1 ZINC000851731490 643131218 /nfs/dbraw/zinc/13/12/18/643131218.db2.gz RVCLCUQRXNZXKA-UHFFFAOYSA-N 2 1 286.460 2.439 20 0 CEADMP O=C1CC[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)O1 ZINC000851750980 643146350 /nfs/dbraw/zinc/14/63/50/643146350.db2.gz NMARVQZNNUKOKO-HZPDHXFCSA-N 2 1 294.439 2.280 20 0 CEADMP O=C1CC[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)O1 ZINC000851750980 643146352 /nfs/dbraw/zinc/14/63/52/643146352.db2.gz NMARVQZNNUKOKO-HZPDHXFCSA-N 2 1 294.439 2.280 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000851751269 643146378 /nfs/dbraw/zinc/14/63/78/643146378.db2.gz PXFDLNHAXBDRPM-KRWDZBQOSA-N 2 1 291.439 2.167 20 0 CEADMP CC1(C)OC[C@@H](CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000851778318 643156415 /nfs/dbraw/zinc/15/64/15/643156415.db2.gz GSRKNNYBGFVHJP-HZPDHXFCSA-N 2 1 296.455 2.478 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851799576 643170169 /nfs/dbraw/zinc/17/01/69/643170169.db2.gz ZYGQFUUQEUWMPE-HUUCEWRRSA-N 2 1 284.444 2.192 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851799576 643170175 /nfs/dbraw/zinc/17/01/75/643170175.db2.gz ZYGQFUUQEUWMPE-HUUCEWRRSA-N 2 1 284.444 2.192 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000851799576 643170176 /nfs/dbraw/zinc/17/01/76/643170176.db2.gz ZYGQFUUQEUWMPE-HUUCEWRRSA-N 2 1 284.444 2.192 20 0 CEADMP C[NH+]1CCC([NH2+]CCc2cnc3ccccc3c2)CC1 ZINC000922703531 643213924 /nfs/dbraw/zinc/21/39/24/643213924.db2.gz IWMPZEAKJNWPSZ-UHFFFAOYSA-N 2 1 269.392 2.461 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)C[NH+](C)C ZINC000922753863 643244304 /nfs/dbraw/zinc/24/43/04/643244304.db2.gz RUPDUZLCIHJJEM-HUUCEWRRSA-N 2 1 284.444 2.035 20 0 CEADMP CCO[C@@H](C[NH2+]C[C@@H](C)c1ccc(OC)cc1)C[NH+](C)C ZINC000922758936 643248862 /nfs/dbraw/zinc/24/88/62/643248862.db2.gz YTXHBAJQPYZZNI-PBHICJAKSA-N 2 1 294.439 2.355 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)CC1(C)C ZINC000922868652 643304891 /nfs/dbraw/zinc/30/48/91/643304891.db2.gz ALNJTEZXYRCULN-SYQHCUMBSA-N 2 1 282.428 2.131 20 0 CEADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CCC([NH3+])CC1 ZINC000852741303 643528176 /nfs/dbraw/zinc/52/81/76/643528176.db2.gz PYMGRKOTAYYMHT-UHFFFAOYSA-N 3 1 273.424 2.034 20 0 CEADMP CO[C@@H](C[N@H+]1CCC2(C1)CC[NH2+]CC2)C1CCCC1 ZINC000852745932 643532196 /nfs/dbraw/zinc/53/21/96/643532196.db2.gz AZRZORQMRXZQJR-HNNXBMFYSA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC=C(Cl)Cl)CC1 ZINC000852748996 643533658 /nfs/dbraw/zinc/53/36/58/643533658.db2.gz GCAKQMBKLODGOC-PWSUYJOCSA-N 2 1 279.211 2.134 20 0 CEADMP CCCCOC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000852753700 643537822 /nfs/dbraw/zinc/53/78/22/643537822.db2.gz GSMWECCMLPNCQM-HOCLYGCPSA-N 2 1 296.455 2.430 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NCCn1cc[nH+]c1C(C)C ZINC000852803752 643558497 /nfs/dbraw/zinc/55/84/97/643558497.db2.gz PDYRFZFKYFELEH-AWEZNQCLSA-N 2 1 294.443 2.134 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC2SCCS2)C1 ZINC000853023144 643623987 /nfs/dbraw/zinc/62/39/87/643623987.db2.gz OIEBFQXRQONZPP-GHMZBOCLSA-N 2 1 260.472 2.242 20 0 CEADMP CC[C@H]1C[N@@H+](CCC2SCCS2)CC[C@H]1[NH3+] ZINC000853022897 643624506 /nfs/dbraw/zinc/62/45/06/643624506.db2.gz GZQCQISEUBRRCD-WDEREUQCSA-N 2 1 260.472 2.242 20 0 CEADMP CCc1onc(C)c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923287764 643641978 /nfs/dbraw/zinc/64/19/78/643641978.db2.gz FQTGQZHJUCXKKD-ZYHUDNBSSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923287764 643641984 /nfs/dbraw/zinc/64/19/84/643641984.db2.gz FQTGQZHJUCXKKD-ZYHUDNBSSA-N 2 1 251.374 2.105 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000923290159 643643396 /nfs/dbraw/zinc/64/33/96/643643396.db2.gz UULCEIKIGYXWNV-BHYGNILZSA-N 2 1 276.424 2.039 20 0 CEADMP C[C@@](C[NH3+])([NH2+]C[C@H](O)c1ccc(F)cc1Cl)C1CC1 ZINC000923295879 643647518 /nfs/dbraw/zinc/64/75/18/643647518.db2.gz JLYYORHKINIYOV-KBPBESRZSA-N 2 1 286.778 2.230 20 0 CEADMP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301360 643649509 /nfs/dbraw/zinc/64/95/09/643649509.db2.gz GAQLEBYZPAZNIZ-DZGCQCFKSA-N 2 1 260.381 2.058 20 0 CEADMP CC1CCC([N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C2CC2)CC1 ZINC000923307887 643649607 /nfs/dbraw/zinc/64/96/07/643649607.db2.gz ZAFOMLOGGIFPOG-XUJLQICISA-N 2 1 278.440 2.408 20 0 CEADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303498 643650876 /nfs/dbraw/zinc/65/08/76/643650876.db2.gz DWHOZQRAXPOYHP-AAEUAGOBSA-N 2 1 296.361 2.336 20 0 CEADMP C[N@@H+](CCC[NH2+]C[C@@H](O)c1ccccn1)Cc1ccccc1 ZINC000853096712 643651521 /nfs/dbraw/zinc/65/15/21/643651521.db2.gz KJJDDJCRHABZDK-GOSISDBHSA-N 2 1 299.418 2.227 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923313319 643653163 /nfs/dbraw/zinc/65/31/63/643653163.db2.gz FDKOYOPZEPOKFF-DLBZAZTESA-N 2 1 288.435 2.318 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923313321 643653200 /nfs/dbraw/zinc/65/32/00/643653200.db2.gz FDKOYOPZEPOKFF-IRXDYDNUSA-N 2 1 288.435 2.318 20 0 CEADMP CCC[N@@H+](CCC[NH2+]C1CC1)C[C@H]1CCCCO1 ZINC000923311737 643658078 /nfs/dbraw/zinc/65/80/78/643658078.db2.gz VCLKTLCSRNPODN-OAHLLOKOSA-N 2 1 254.418 2.410 20 0 CEADMP COc1ccccc1CC[N@@H+](C)CCC[NH2+]C1CC1 ZINC000923311603 643658745 /nfs/dbraw/zinc/65/87/45/643658745.db2.gz QDQHXLPRXCLXGP-UHFFFAOYSA-N 2 1 262.397 2.312 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000923348968 643672431 /nfs/dbraw/zinc/67/24/31/643672431.db2.gz MHJHPZNNQBQZHT-GDBMZVCRSA-N 2 1 262.397 2.089 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000923349248 643672840 /nfs/dbraw/zinc/67/28/40/643672840.db2.gz RFAYVDOTTSGJPO-CABCVRRESA-N 2 1 256.434 2.379 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000923344186 643675248 /nfs/dbraw/zinc/67/52/48/643675248.db2.gz FLABCXDJTFIDBK-KMUNFCNLSA-N 2 1 284.350 2.057 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000923344186 643675250 /nfs/dbraw/zinc/67/52/50/643675250.db2.gz FLABCXDJTFIDBK-KMUNFCNLSA-N 2 1 284.350 2.057 20 0 CEADMP CCc1onc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000923346511 643676354 /nfs/dbraw/zinc/67/63/54/643676354.db2.gz ZQOMOVXTWLPMNC-DGCLKSJQSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000923346511 643676357 /nfs/dbraw/zinc/67/63/57/643676357.db2.gz ZQOMOVXTWLPMNC-DGCLKSJQSA-N 2 1 251.374 2.105 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923363489 643679934 /nfs/dbraw/zinc/67/99/34/643679934.db2.gz BVCNGDFVNYFDEM-HRCADAONSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)CC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000923366049 643680554 /nfs/dbraw/zinc/68/05/54/643680554.db2.gz YUYGPGGKZPSMJF-XHSDSOJGSA-N 2 1 268.445 2.390 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000923366049 643680558 /nfs/dbraw/zinc/68/05/58/643680558.db2.gz YUYGPGGKZPSMJF-XHSDSOJGSA-N 2 1 268.445 2.390 20 0 CEADMP C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923365054 643680746 /nfs/dbraw/zinc/68/07/46/643680746.db2.gz RSBPKBOROMPJDF-JRACIQGZSA-N 3 1 291.483 2.371 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923374698 643685309 /nfs/dbraw/zinc/68/53/09/643685309.db2.gz VHPZGQCFPLAUDX-UYTSQGDYSA-N 2 1 294.439 2.325 20 0 CEADMP CCOC(=O)[C@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923374700 643685522 /nfs/dbraw/zinc/68/55/22/643685522.db2.gz VHPZGQCFPLAUDX-WTXIUTQJSA-N 2 1 294.439 2.325 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@@H](O)Cc2ccccc2)[C@@H]1CC[NH3+] ZINC000923386890 643692690 /nfs/dbraw/zinc/69/26/90/643692690.db2.gz KWOINICHUANLON-HYVNUMGLSA-N 2 1 276.424 2.039 20 0 CEADMP CCc1ncc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])o1 ZINC000923386966 643693010 /nfs/dbraw/zinc/69/30/10/643693010.db2.gz MBQAXFPKWONPQP-WCQYABFASA-N 2 1 251.374 2.186 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])o1 ZINC000923386966 643693014 /nfs/dbraw/zinc/69/30/14/643693014.db2.gz MBQAXFPKWONPQP-WCQYABFASA-N 2 1 251.374 2.186 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H](O)CCc2ccccc2)[C@H]1CC[NH3+] ZINC000923389374 643693776 /nfs/dbraw/zinc/69/37/76/643693776.db2.gz XCAQRTHJEIETDC-NXHRZFHOSA-N 2 1 290.451 2.429 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923413051 643700928 /nfs/dbraw/zinc/70/09/28/643700928.db2.gz CJJUMJXFVMXTFE-GDBMZVCRSA-N 2 1 270.461 2.480 20 0 CEADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923413286 643701648 /nfs/dbraw/zinc/70/16/48/643701648.db2.gz VSNMEWHETQANRT-OKYAQOQYSA-N 2 1 264.413 2.043 20 0 CEADMP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CCC[NH2+]C2CC2)no1 ZINC000923413859 643701958 /nfs/dbraw/zinc/70/19/58/643701958.db2.gz ILEITCQALHWRJW-LQDVMPOASA-N 2 1 290.411 2.231 20 0 CEADMP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC[NH2+]C2CC2)no1 ZINC000923413859 643701965 /nfs/dbraw/zinc/70/19/65/643701965.db2.gz ILEITCQALHWRJW-LQDVMPOASA-N 2 1 290.411 2.231 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CCCCC1 ZINC000923428925 643708258 /nfs/dbraw/zinc/70/82/58/643708258.db2.gz SPEZRMXCDNDZNE-HUUCEWRRSA-N 2 1 266.429 2.192 20 0 CEADMP Cc1ccccc1-c1nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)no1 ZINC000923480980 643731541 /nfs/dbraw/zinc/73/15/41/643731541.db2.gz DUFDIFTYHNVUTA-ZDUSSCGKSA-N 2 1 286.379 2.216 20 0 CEADMP Cc1ccccc1-c1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)no1 ZINC000923480980 643731545 /nfs/dbraw/zinc/73/15/45/643731545.db2.gz DUFDIFTYHNVUTA-ZDUSSCGKSA-N 2 1 286.379 2.216 20 0 CEADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923495331 643734180 /nfs/dbraw/zinc/73/41/80/643734180.db2.gz ALPCNJOJTLQIGZ-QWHCGFSZSA-N 2 1 293.386 2.071 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)CO2)CC[C@H]1C[NH3+] ZINC000923494593 643738312 /nfs/dbraw/zinc/73/83/12/643738312.db2.gz ZALHDLXHPIMDIK-ILXRZTDVSA-N 2 1 266.429 2.252 20 0 CEADMP COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923499045 643740354 /nfs/dbraw/zinc/74/03/54/643740354.db2.gz QLFDNQKPYGTLPJ-DZKIICNBSA-N 2 1 290.407 2.126 20 0 CEADMP CC(C)CCc1noc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923499304 643740583 /nfs/dbraw/zinc/74/05/83/643740583.db2.gz SBJHNBCIQHPWNG-CHWSQXEVSA-N 2 1 280.416 2.075 20 0 CEADMP CC(C)CCc1noc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000923499304 643740585 /nfs/dbraw/zinc/74/05/85/643740585.db2.gz SBJHNBCIQHPWNG-CHWSQXEVSA-N 2 1 280.416 2.075 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501453 643742146 /nfs/dbraw/zinc/74/21/46/643742146.db2.gz UNNAYYGSEPVYDJ-LVQVYYBASA-N 2 1 268.445 2.498 20 0 CEADMP C[C@H]1CCCC[C@H]1OCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501456 643742340 /nfs/dbraw/zinc/74/23/40/643742340.db2.gz UNNAYYGSEPVYDJ-ZJIFWQFVSA-N 2 1 268.445 2.498 20 0 CEADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504685 643743513 /nfs/dbraw/zinc/74/35/13/643743513.db2.gz SUOSQNHDMMDIMJ-ILXRZTDVSA-N 2 1 289.423 2.239 20 0 CEADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(Cl)c2)CC[C@@H]1C[NH3+] ZINC000923510387 643746058 /nfs/dbraw/zinc/74/60/58/643746058.db2.gz SSUGLLZIUGJNNS-VXGBXAGGSA-N 2 1 295.814 2.195 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2ccccc2F)CC[C@H]1C[NH3+] ZINC000923503497 643746353 /nfs/dbraw/zinc/74/63/53/643746353.db2.gz JJTGCHNHTJXWSH-OLZOCXBDSA-N 2 1 266.360 2.121 20 0 CEADMP COc1cccc(CCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923517603 643748710 /nfs/dbraw/zinc/74/87/10/643748710.db2.gz FPQNDHRWHMSNPG-JKSUJKDBSA-N 2 1 274.408 2.169 20 0 CEADMP Clc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520876 643749640 /nfs/dbraw/zinc/74/96/40/643749640.db2.gz IJPZAMXEXIRFKY-WCQYABFASA-N 2 1 250.773 2.381 20 0 CEADMP Clc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520876 643749645 /nfs/dbraw/zinc/74/96/45/643749645.db2.gz IJPZAMXEXIRFKY-WCQYABFASA-N 2 1 250.773 2.381 20 0 CEADMP CC(C)C[C@H]1CN(C)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000923557921 643764912 /nfs/dbraw/zinc/76/49/12/643764912.db2.gz PCEDAMALYPHYLI-INIZCTEOSA-N 2 1 267.461 2.038 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCC=CO2)C1 ZINC000774908230 643811710 /nfs/dbraw/zinc/81/17/10/643811710.db2.gz HPWQYVDGBDWGFC-JKSUJKDBSA-N 2 1 264.413 2.343 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000774908230 643811712 /nfs/dbraw/zinc/81/17/12/643811712.db2.gz HPWQYVDGBDWGFC-JKSUJKDBSA-N 2 1 264.413 2.343 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC000774908230 643811714 /nfs/dbraw/zinc/81/17/14/643811714.db2.gz HPWQYVDGBDWGFC-JKSUJKDBSA-N 2 1 264.413 2.343 20 0 CEADMP COc1ccc(OCC[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877740630 650884091 /nfs/dbraw/zinc/88/40/91/650884091.db2.gz KPGNNLQTSLUEOG-RHSMWYFYSA-N 2 1 290.407 2.100 20 0 CEADMP COc1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877740630 650884093 /nfs/dbraw/zinc/88/40/93/650884093.db2.gz KPGNNLQTSLUEOG-RHSMWYFYSA-N 2 1 290.407 2.100 20 0 CEADMP COc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877740630 650884095 /nfs/dbraw/zinc/88/40/95/650884095.db2.gz KPGNNLQTSLUEOG-RHSMWYFYSA-N 2 1 290.407 2.100 20 0 CEADMP COc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877740630 650884096 /nfs/dbraw/zinc/88/40/96/650884096.db2.gz KPGNNLQTSLUEOG-RHSMWYFYSA-N 2 1 290.407 2.100 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc4n[nH]cc43)CC[C@H]21 ZINC000877742451 650886868 /nfs/dbraw/zinc/88/68/68/650886868.db2.gz ZCENDCBSVWPGTL-CZUORRHYSA-N 2 1 270.380 2.089 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc4n[nH]cc43)CC[C@H]21 ZINC000877742451 650886870 /nfs/dbraw/zinc/88/68/70/650886870.db2.gz ZCENDCBSVWPGTL-CZUORRHYSA-N 2 1 270.380 2.089 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc4n[nH]cc43)CC[C@H]21 ZINC000877742451 650886873 /nfs/dbraw/zinc/88/68/73/650886873.db2.gz ZCENDCBSVWPGTL-CZUORRHYSA-N 2 1 270.380 2.089 20 0 CEADMP CCn1ncc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000838902758 644061464 /nfs/dbraw/zinc/06/14/64/644061464.db2.gz ZRUDMDGQMRJFCK-GASCZTMLSA-N 2 1 293.459 2.146 20 0 CEADMP Cc1ccc(CCC[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cn1 ZINC000877743807 650890557 /nfs/dbraw/zinc/89/05/57/650890557.db2.gz YLMFIHLSPYZRDU-DLBZAZTESA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cn1 ZINC000877743807 650890563 /nfs/dbraw/zinc/89/05/63/650890563.db2.gz YLMFIHLSPYZRDU-DLBZAZTESA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccc(CCC[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cn1 ZINC000877743807 650890565 /nfs/dbraw/zinc/89/05/65/650890565.db2.gz YLMFIHLSPYZRDU-DLBZAZTESA-N 2 1 273.424 2.349 20 0 CEADMP C/C(=C/C(C)(C)C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346749 644311511 /nfs/dbraw/zinc/31/15/11/644311511.db2.gz KYRQIXCXJWXXLX-ZSMUJPCHSA-N 2 1 297.487 2.367 20 0 CEADMP C/C(=C/C(C)(C)C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346749 644311530 /nfs/dbraw/zinc/31/15/30/644311530.db2.gz KYRQIXCXJWXXLX-ZSMUJPCHSA-N 2 1 297.487 2.367 20 0 CEADMP C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1OCCCO1 ZINC000754657200 644410135 /nfs/dbraw/zinc/41/01/35/644410135.db2.gz HFQFDDZUSRIQHE-HNNXBMFYSA-N 2 1 282.428 2.090 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000806140639 644427670 /nfs/dbraw/zinc/42/76/70/644427670.db2.gz ZGULISZHICGCMH-BBWFWOEESA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000925489693 644552093 /nfs/dbraw/zinc/55/20/93/644552093.db2.gz FLTRVEVNVUTCJI-OLMNPRSZSA-N 2 1 299.462 2.293 20 0 CEADMP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)N1CCc2ccccc2C1 ZINC000925489693 644552095 /nfs/dbraw/zinc/55/20/95/644552095.db2.gz FLTRVEVNVUTCJI-OLMNPRSZSA-N 2 1 299.462 2.293 20 0 CEADMP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000756068813 644599732 /nfs/dbraw/zinc/59/97/32/644599732.db2.gz AONFNYKRJFZHHT-MJBXVCDLSA-N 2 1 297.443 2.116 20 0 CEADMP CCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591034 644695640 /nfs/dbraw/zinc/69/56/40/644695640.db2.gz HASSBXSQHFRHOR-INIZCTEOSA-N 2 1 277.412 2.396 20 0 CEADMP CCC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856591034 644695642 /nfs/dbraw/zinc/69/56/42/644695642.db2.gz HASSBXSQHFRHOR-INIZCTEOSA-N 2 1 277.412 2.396 20 0 CEADMP CCC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856591034 644695648 /nfs/dbraw/zinc/69/56/48/644695648.db2.gz HASSBXSQHFRHOR-INIZCTEOSA-N 2 1 277.412 2.396 20 0 CEADMP CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856599270 644697595 /nfs/dbraw/zinc/69/75/95/644697595.db2.gz HCDDYBBBHVJDGK-INIZCTEOSA-N 2 1 277.412 2.395 20 0 CEADMP CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856599270 644697597 /nfs/dbraw/zinc/69/75/97/644697597.db2.gz HCDDYBBBHVJDGK-INIZCTEOSA-N 2 1 277.412 2.395 20 0 CEADMP CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856599270 644697600 /nfs/dbraw/zinc/69/76/00/644697600.db2.gz HCDDYBBBHVJDGK-INIZCTEOSA-N 2 1 277.412 2.395 20 0 CEADMP C[C@H]1CN(CC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000839642446 644771379 /nfs/dbraw/zinc/77/13/79/644771379.db2.gz AKHGCTNJKZGLDJ-KRWDZBQOSA-N 2 1 287.451 2.289 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1CCCc2cn[nH]c21)C1CC1 ZINC000857868761 644988741 /nfs/dbraw/zinc/98/87/41/644988741.db2.gz BQBSNXDABWQKLF-AWEZNQCLSA-N 2 1 262.401 2.251 20 0 CEADMP C[N@H+](CCCC[NH2+][C@H]1CCCc2c[nH]nc21)C1CC1 ZINC000857868761 644988744 /nfs/dbraw/zinc/98/87/44/644988744.db2.gz BQBSNXDABWQKLF-AWEZNQCLSA-N 2 1 262.401 2.251 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1CCCc2c[nH]nc21)C1CC1 ZINC000857868761 644988747 /nfs/dbraw/zinc/98/87/47/644988747.db2.gz BQBSNXDABWQKLF-AWEZNQCLSA-N 2 1 262.401 2.251 20 0 CEADMP Cc1ccc(O[C@@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)nc1 ZINC000858041257 645052138 /nfs/dbraw/zinc/05/21/38/645052138.db2.gz JFNBYBRORQQSBI-HZPDHXFCSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ccc(O[C@@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000858041257 645052152 /nfs/dbraw/zinc/05/21/52/645052152.db2.gz JFNBYBRORQQSBI-HZPDHXFCSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ccc(O[C@@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)nc1 ZINC000858041257 645052162 /nfs/dbraw/zinc/05/21/62/645052162.db2.gz JFNBYBRORQQSBI-HZPDHXFCSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ccc(O[C@@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)nc1 ZINC000858041257 645052168 /nfs/dbraw/zinc/05/21/68/645052168.db2.gz JFNBYBRORQQSBI-HZPDHXFCSA-N 2 1 289.423 2.327 20 0 CEADMP COc1cccc([C@@H](O)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000858133768 645070601 /nfs/dbraw/zinc/07/06/01/645070601.db2.gz XGOIJZGSCAKHHA-HOCLYGCPSA-N 2 1 292.423 2.191 20 0 CEADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C1CCCCCCC1 ZINC000878019250 650975886 /nfs/dbraw/zinc/97/58/86/650975886.db2.gz BAJXAFFMGVXDAG-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000760758564 645192094 /nfs/dbraw/zinc/19/20/94/645192094.db2.gz QCDLUQCWYWRNIY-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP CC(C)NC(=O)CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213980 645421914 /nfs/dbraw/zinc/42/19/14/645421914.db2.gz DGIPPAKQIWKBSK-UHFFFAOYSA-N 2 1 291.439 2.095 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000878166849 651022169 /nfs/dbraw/zinc/02/21/69/651022169.db2.gz HQCMOZXEHFMLMU-FZKCQIBNSA-N 2 1 266.429 2.218 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000878166849 651022174 /nfs/dbraw/zinc/02/21/74/651022174.db2.gz HQCMOZXEHFMLMU-FZKCQIBNSA-N 2 1 266.429 2.218 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000878166849 651022176 /nfs/dbraw/zinc/02/21/76/651022176.db2.gz HQCMOZXEHFMLMU-FZKCQIBNSA-N 2 1 266.429 2.218 20 0 CEADMP O=C1O[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC12CC2 ZINC000763685828 645566060 /nfs/dbraw/zinc/56/60/60/645566060.db2.gz HQKKIAXNLDRIHG-LSDHHAIUSA-N 2 1 292.423 2.032 20 0 CEADMP O=C1O[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC12CC2 ZINC000763685828 645566065 /nfs/dbraw/zinc/56/60/65/645566065.db2.gz HQKKIAXNLDRIHG-LSDHHAIUSA-N 2 1 292.423 2.032 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000765758338 645804016 /nfs/dbraw/zinc/80/40/16/645804016.db2.gz JLEUOCNVHPJSPS-NFAWXSAZSA-N 2 1 265.401 2.232 20 0 CEADMP COC[C@H](CC(C)C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765975874 645829800 /nfs/dbraw/zinc/82/98/00/645829800.db2.gz MEUIOZNGZJCWOG-DLBZAZTESA-N 2 1 298.471 2.281 20 0 CEADMP C[NH+](C)CCCC1CC[NH+](Cn2cc[nH]c2=S)CC1 ZINC000766383630 645879138 /nfs/dbraw/zinc/87/91/38/645879138.db2.gz YTICHIFAFAFSNT-UHFFFAOYSA-N 2 1 282.457 2.183 20 0 CEADMP Cc1[nH+]ccn1CCCOC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000767640969 646016599 /nfs/dbraw/zinc/01/65/99/646016599.db2.gz CAFFIHAQYYIXNL-AWEZNQCLSA-N 2 1 293.411 2.389 20 0 CEADMP CC[C@H](C(=O)OCCCn1cc[nH+]c1C)[NH+](CC)CC ZINC000767645005 646017486 /nfs/dbraw/zinc/01/74/86/646017486.db2.gz VQNARLDYRBTHFK-CQSZACIVSA-N 2 1 281.400 2.245 20 0 CEADMP CC(=O)N1CCC([NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000768925376 646181088 /nfs/dbraw/zinc/18/10/88/646181088.db2.gz BOPJABZZAHYHHH-UHFFFAOYSA-N 2 1 295.471 2.050 20 0 CEADMP Fc1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)c(F)c1 ZINC000863482539 646739309 /nfs/dbraw/zinc/73/93/09/646739309.db2.gz JJEIWTPMTRPYAX-AWEZNQCLSA-N 2 1 266.335 2.382 20 0 CEADMP c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CO2 ZINC000863543495 646752197 /nfs/dbraw/zinc/75/21/97/646752197.db2.gz ZYJNFGQNDLTBQG-ZBFHGGJFSA-N 2 1 272.392 2.254 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000863550949 646754638 /nfs/dbraw/zinc/75/46/38/646754638.db2.gz GAQXREYJMZGRAD-UHFFFAOYSA-N 2 1 292.210 2.056 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000863550949 646754640 /nfs/dbraw/zinc/75/46/40/646754640.db2.gz GAQXREYJMZGRAD-UHFFFAOYSA-N 2 1 292.210 2.056 20 0 CEADMP CCC[N@@H+]1CC[C@H](CNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000774515619 646856265 /nfs/dbraw/zinc/85/62/65/646856265.db2.gz BKTIVYHBBUDICC-CQSZACIVSA-N 2 1 289.427 2.221 20 0 CEADMP CCC[N@H+]1CC[C@H](CNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000774515619 646856270 /nfs/dbraw/zinc/85/62/70/646856270.db2.gz BKTIVYHBBUDICC-CQSZACIVSA-N 2 1 289.427 2.221 20 0 CEADMP CC1(C)CCC[N@@H+](CCNC(=[NH2+])NCCC2CC2)C1 ZINC000864465343 647019729 /nfs/dbraw/zinc/01/97/29/647019729.db2.gz UNUYJYKSLNRUMN-UHFFFAOYSA-N 2 1 266.433 2.022 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](Nc2ccncc2C(F)(F)F)C1 ZINC000865470479 647309778 /nfs/dbraw/zinc/30/97/78/647309778.db2.gz BXOGGHQGCGUCQI-SNVBAGLBSA-N 2 1 273.302 2.417 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865470479 647309782 /nfs/dbraw/zinc/30/97/82/647309782.db2.gz BXOGGHQGCGUCQI-SNVBAGLBSA-N 2 1 273.302 2.417 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865470479 647309786 /nfs/dbraw/zinc/30/97/86/647309786.db2.gz BXOGGHQGCGUCQI-SNVBAGLBSA-N 2 1 273.302 2.417 20 0 CEADMP COC(C)(C)CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000865754401 647452702 /nfs/dbraw/zinc/45/27/02/647452702.db2.gz HEDWQZXEPRIREP-UHFFFAOYSA-N 2 1 271.430 2.109 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC3(CO2)CCOCC3)CC1(C)C ZINC000865778183 647461608 /nfs/dbraw/zinc/46/16/08/647461608.db2.gz GUPCXMZAYYJJQQ-HUUCEWRRSA-N 2 1 296.455 2.035 20 0 CEADMP CN1Cc2ccccc2[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865806180 647471526 /nfs/dbraw/zinc/47/15/26/647471526.db2.gz NDPBGPZCXWSEGG-BQFCYCMXSA-N 2 1 285.435 2.390 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1N[C@H]1CCc2[nH]cnc2C1 ZINC000865817928 647477132 /nfs/dbraw/zinc/47/71/32/647477132.db2.gz JEZXLHYSFZROMY-QMMMGPOBSA-N 2 1 282.269 2.215 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1C ZINC000782194454 647599445 /nfs/dbraw/zinc/59/94/45/647599445.db2.gz YPWLDCDWPLOTLN-CJNGLKHVSA-N 2 1 291.439 2.479 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1C ZINC000782194454 647599449 /nfs/dbraw/zinc/59/94/49/647599449.db2.gz YPWLDCDWPLOTLN-CJNGLKHVSA-N 2 1 291.439 2.479 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)CCc2cccnc2)CC1 ZINC000866215674 647676199 /nfs/dbraw/zinc/67/61/99/647676199.db2.gz NCUNNHTXGZASBK-CQSZACIVSA-N 2 1 261.413 2.477 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000783216901 647695851 /nfs/dbraw/zinc/69/58/51/647695851.db2.gz VUXYSKVKEYFAFX-ILXRZTDVSA-N 2 1 293.480 2.425 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000866525263 647816199 /nfs/dbraw/zinc/81/61/99/647816199.db2.gz RFXARZPBISZVFP-IGQOVBAYSA-N 2 1 282.428 2.179 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000866525263 647816205 /nfs/dbraw/zinc/81/62/05/647816205.db2.gz RFXARZPBISZVFP-IGQOVBAYSA-N 2 1 282.428 2.179 20 0 CEADMP C(CCC1CC1)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000866542002 647821185 /nfs/dbraw/zinc/82/11/85/647821185.db2.gz VRUZARLSUFUEGW-INIZCTEOSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@H+]1CC[C@@H]2CN([C@H]3CC[NH+](Cc4ccccc4)C3)CC[C@H]21 ZINC000866584607 647832916 /nfs/dbraw/zinc/83/29/16/647832916.db2.gz OYVIEQGOGXSNJK-CEXWTWQISA-N 2 1 299.462 2.287 20 0 CEADMP C[NH+]1CC[C@@H]2CN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC000866584607 647832921 /nfs/dbraw/zinc/83/29/21/647832921.db2.gz OYVIEQGOGXSNJK-CEXWTWQISA-N 2 1 299.462 2.287 20 0 CEADMP C[NH+]1CC[C@@H]2CN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC000866584607 647832935 /nfs/dbraw/zinc/83/29/35/647832935.db2.gz OYVIEQGOGXSNJK-CEXWTWQISA-N 2 1 299.462 2.287 20 0 CEADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000784478379 647854771 /nfs/dbraw/zinc/85/47/71/647854771.db2.gz UPXZWUJZBNXKFG-QZTJIDSGSA-N 2 1 288.435 2.241 20 0 CEADMP COc1cccc(OCC[N@@H+]2CC[NH2+]CCC2(C)C)c1 ZINC000866699061 647873148 /nfs/dbraw/zinc/87/31/48/647873148.db2.gz HAKMIVVXMFYGAX-UHFFFAOYSA-N 2 1 278.396 2.148 20 0 CEADMP COc1cccc(OCC[N@H+]2CC[NH2+]CCC2(C)C)c1 ZINC000866699061 647873151 /nfs/dbraw/zinc/87/31/51/647873151.db2.gz HAKMIVVXMFYGAX-UHFFFAOYSA-N 2 1 278.396 2.148 20 0 CEADMP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705361 647876857 /nfs/dbraw/zinc/87/68/57/647876857.db2.gz YLUCMUMPUGIRGB-SUMWQHHRSA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H](C[N@@H+](C)CC1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000785452127 647929519 /nfs/dbraw/zinc/92/95/19/647929519.db2.gz BXYGELZWPSKVKY-ZDUSSCGKSA-N 2 1 299.459 2.173 20 0 CEADMP CC(C)[C@H](C[NH+](C)C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000791130933 648483343 /nfs/dbraw/zinc/48/33/43/648483343.db2.gz WYSNCPDOZMVYJP-INIZCTEOSA-N 2 1 297.487 2.343 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000792976367 648693907 /nfs/dbraw/zinc/69/39/07/648693907.db2.gz CDZMIEAEUJBVJO-BBWFWOEESA-N 2 1 296.455 2.177 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870986683 648970453 /nfs/dbraw/zinc/97/04/53/648970453.db2.gz NKOQUFZPFLZLSP-AWEZNQCLSA-N 2 1 283.460 2.003 20 0 CEADMP CC1CC[NH+](Cc2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)CC1 ZINC000871798346 649190104 /nfs/dbraw/zinc/19/01/04/649190104.db2.gz GTFLGBBLRGSYKL-AGUYFDCRSA-N 2 1 290.411 2.300 20 0 CEADMP O=c1[nH]c2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)ccc2o1 ZINC000872122488 649284331 /nfs/dbraw/zinc/28/43/31/649284331.db2.gz MZBJQDVJLPAQGM-UHFFFAOYSA-N 2 1 287.363 2.250 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC2(CCC2)CO1 ZINC000872141668 649290835 /nfs/dbraw/zinc/29/08/35/649290835.db2.gz NGHWNVRIKLWPEE-KBPBESRZSA-N 2 1 254.418 2.251 20 0 CEADMP CO[C@H]1C[C@@H](C[N@@H+](CCC[NH3+])CC2CCCC2)C1 ZINC000872142849 649292004 /nfs/dbraw/zinc/29/20/04/649292004.db2.gz GPGLXUMEUZTRCO-GASCZTMLSA-N 2 1 254.418 2.252 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)[N@H+](C)CCCCCC[NH3+] ZINC000872154963 649298810 /nfs/dbraw/zinc/29/88/10/649298810.db2.gz HPBDXEHWPNSOCX-LLVKDONJSA-N 2 1 266.389 2.459 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)[N@@H+](C)CCCCCC[NH3+] ZINC000872154963 649298814 /nfs/dbraw/zinc/29/88/14/649298814.db2.gz HPBDXEHWPNSOCX-LLVKDONJSA-N 2 1 266.389 2.459 20 0 CEADMP CN1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc2c1CC[NH2+]C2 ZINC000872157020 649299814 /nfs/dbraw/zinc/29/98/14/649299814.db2.gz GUPSXJWCYOHDFJ-ROUUACIJSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1cccc2c1CC[NH2+]C2 ZINC000872157020 649299817 /nfs/dbraw/zinc/29/98/17/649299817.db2.gz GUPSXJWCYOHDFJ-ROUUACIJSA-N 2 1 285.435 2.001 20 0 CEADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2Cc1cccc2c1CC[NH2+]C2 ZINC000872157020 649299821 /nfs/dbraw/zinc/29/98/21/649299821.db2.gz GUPSXJWCYOHDFJ-ROUUACIJSA-N 3 1 285.435 2.001 20 0 CEADMP C[C@H](C(=O)NCc1cccs1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155802 649299851 /nfs/dbraw/zinc/29/98/51/649299851.db2.gz ZOHNBGPTXFRIAW-CYBMUJFWSA-N 2 1 297.468 2.204 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872285899 649345466 /nfs/dbraw/zinc/34/54/66/649345466.db2.gz LSSIIMJBRWKUEA-OAGGEKHMSA-N 2 1 295.471 2.227 20 0 CEADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CN1CC[C@@H](C)C1=O ZINC000872744036 649474304 /nfs/dbraw/zinc/47/43/04/649474304.db2.gz NFZZIOWNGYZUCG-OAHLLOKOSA-N 2 1 295.471 2.112 20 0 CEADMP C[C@H](Nc1cc[nH+]c(N2CCCCC2)n1)C1CC[NH2+]CC1 ZINC000872783726 649490116 /nfs/dbraw/zinc/49/01/16/649490116.db2.gz KNUSQMCMTKNVNG-ZDUSSCGKSA-N 2 1 289.427 2.267 20 0 CEADMP COC(=O)CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C(C)C ZINC000873205261 649588229 /nfs/dbraw/zinc/58/82/29/649588229.db2.gz LITJXBQGWLBJAB-UHFFFAOYSA-N 2 1 296.436 2.167 20 0 CEADMP c1ccc2c(c1)CC[C@]21CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000873227579 649599142 /nfs/dbraw/zinc/59/91/42/649599142.db2.gz LSJUSSCPVAPRNA-ZCDVPAHGSA-N 2 1 268.404 2.328 20 0 CEADMP c1ccc2c(c1)CC[C@]21CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000873227579 649599144 /nfs/dbraw/zinc/59/91/44/649599144.db2.gz LSJUSSCPVAPRNA-ZCDVPAHGSA-N 2 1 268.404 2.328 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000873229301 649600468 /nfs/dbraw/zinc/60/04/68/649600468.db2.gz ZOMMTYSCPMUKJT-FUHWJXTLSA-N 2 1 296.418 2.426 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000873229301 649600470 /nfs/dbraw/zinc/60/04/70/649600470.db2.gz ZOMMTYSCPMUKJT-FUHWJXTLSA-N 2 1 296.418 2.426 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000873229352 649600701 /nfs/dbraw/zinc/60/07/01/649600701.db2.gz UZHJYBZEDOUMLV-LUKYLMHMSA-N 2 1 256.393 2.331 20 0 CEADMP C[C@@H](O)c1ncc(C[N@@H+](C)CCCCCC[NH3+])s1 ZINC000873231513 649602980 /nfs/dbraw/zinc/60/29/80/649602980.db2.gz LXAHTTDCLJNQIN-LLVKDONJSA-N 2 1 271.430 2.147 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC(C)(C)C[NH2+]2)[C@@H]2CCC[C@H]21 ZINC000873236719 649604652 /nfs/dbraw/zinc/60/46/52/649604652.db2.gz IZBSFKRCFGWJJO-YHUYYLMFSA-N 2 1 279.472 2.227 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1noc2ccc(F)cc21 ZINC000873250188 649609513 /nfs/dbraw/zinc/60/95/13/649609513.db2.gz QDHFSKBEUPRLRZ-DTWKUNHWSA-N 2 1 251.305 2.182 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1noc2cc(F)ccc12 ZINC000873276773 649622191 /nfs/dbraw/zinc/62/21/91/649622191.db2.gz WVUQNEMNWLNPSF-MFKMUULPSA-N 2 1 277.343 2.445 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@H]1CCCC[NH2+]1 ZINC000873281667 649624092 /nfs/dbraw/zinc/62/40/92/649624092.db2.gz OIXKICCCDWHROZ-LXFSFDBISA-N 2 1 252.402 2.064 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000873282693 649624777 /nfs/dbraw/zinc/62/47/77/649624777.db2.gz LGXQTEPGMBJSKC-CHWSQXEVSA-N 2 1 288.420 2.422 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)nc1 ZINC000873296263 649631966 /nfs/dbraw/zinc/63/19/66/649631966.db2.gz DWYIORYLDARKRM-BDAKNGLRSA-N 2 1 273.302 2.359 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@H+](CCCOC(F)(F)F)CC1 ZINC000878512061 651117120 /nfs/dbraw/zinc/11/71/20/651117120.db2.gz KDOGUUWZWIOEAZ-NSHDSACASA-N 2 1 268.323 2.329 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCOC(F)(F)F)CC1 ZINC000878512061 651117123 /nfs/dbraw/zinc/11/71/23/651117123.db2.gz KDOGUUWZWIOEAZ-NSHDSACASA-N 2 1 268.323 2.329 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CC3(CCC3)CO1)C2 ZINC000878663117 651157304 /nfs/dbraw/zinc/15/73/04/651157304.db2.gz VLTKEYSNHHRJGJ-WBVHZDCISA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H]1CC3(CCC3)CO1)C2 ZINC000878663117 651157308 /nfs/dbraw/zinc/15/73/08/651157308.db2.gz VLTKEYSNHHRJGJ-WBVHZDCISA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H]1CC3(CCC3)CO1)C2 ZINC000878663117 651157310 /nfs/dbraw/zinc/15/73/10/651157310.db2.gz VLTKEYSNHHRJGJ-WBVHZDCISA-N 2 1 278.440 2.363 20 0 CEADMP COCC[N@@H+](CC1CC[NH+](C)CC1)C[Si](C)(C)C ZINC000879125321 651247627 /nfs/dbraw/zinc/24/76/27/651247627.db2.gz YSMINCJOBZZXRN-UHFFFAOYSA-N 2 1 272.509 2.154 20 0 CEADMP COCC[N@@H+](CCC[C@@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000879126959 651247267 /nfs/dbraw/zinc/24/72/67/651247267.db2.gz PBNVUPSSIMERIV-QGZVFWFLSA-N 2 1 298.471 2.093 20 0 CEADMP COCC[N@@H+](C[C@@H]1CCC(C)(C)O1)CC1CC[NH+](C)CC1 ZINC000879126581 651247610 /nfs/dbraw/zinc/24/76/10/651247610.db2.gz JWWOLJRJJDQYMX-INIZCTEOSA-N 2 1 298.471 2.234 20 0 CEADMP CC(=O)Oc1ccc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000879576911 651325377 /nfs/dbraw/zinc/32/53/77/651325377.db2.gz FDVMHWQAHJOAFO-WBVHZDCISA-N 2 1 288.391 2.138 20 0 CEADMP CC(=O)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000879576911 651325378 /nfs/dbraw/zinc/32/53/78/651325378.db2.gz FDVMHWQAHJOAFO-WBVHZDCISA-N 2 1 288.391 2.138 20 0 CEADMP CC(=O)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000879576911 651325379 /nfs/dbraw/zinc/32/53/79/651325379.db2.gz FDVMHWQAHJOAFO-WBVHZDCISA-N 2 1 288.391 2.138 20 0 CEADMP CC(=O)Oc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879576911 651325380 /nfs/dbraw/zinc/32/53/80/651325380.db2.gz FDVMHWQAHJOAFO-WBVHZDCISA-N 2 1 288.391 2.138 20 0 CEADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879576911 651325381 /nfs/dbraw/zinc/32/53/81/651325381.db2.gz FDVMHWQAHJOAFO-WBVHZDCISA-N 2 1 288.391 2.138 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCN3CCc4ccccc43)CC[C@H]21 ZINC000879579905 651325923 /nfs/dbraw/zinc/32/59/23/651325923.db2.gz QCELRZFJPOIRMU-IAGOWNOFSA-N 2 1 285.435 2.075 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCN3CCc4ccccc43)CC[C@H]21 ZINC000879579905 651325924 /nfs/dbraw/zinc/32/59/24/651325924.db2.gz QCELRZFJPOIRMU-IAGOWNOFSA-N 2 1 285.435 2.075 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCN3CCc4ccccc43)CC[C@H]21 ZINC000879579905 651325925 /nfs/dbraw/zinc/32/59/25/651325925.db2.gz QCELRZFJPOIRMU-IAGOWNOFSA-N 2 1 285.435 2.075 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC(F)(F)C3)CC[C@@H]21 ZINC000879580071 651326883 /nfs/dbraw/zinc/32/68/83/651326883.db2.gz FCAMMDVMCGIQKA-XQQFMLRXSA-N 2 1 258.356 2.448 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC(F)(F)C3)CC[C@@H]21 ZINC000879580071 651326884 /nfs/dbraw/zinc/32/68/84/651326884.db2.gz FCAMMDVMCGIQKA-XQQFMLRXSA-N 2 1 258.356 2.448 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)CC[C@@H]21 ZINC000879580071 651326886 /nfs/dbraw/zinc/32/68/86/651326886.db2.gz FCAMMDVMCGIQKA-XQQFMLRXSA-N 2 1 258.356 2.448 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)CC[C@@H]21 ZINC000879580071 651326888 /nfs/dbraw/zinc/32/68/88/651326888.db2.gz FCAMMDVMCGIQKA-XQQFMLRXSA-N 2 1 258.356 2.448 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(CO)cc2)CCN1c1cc[nH+]cc1 ZINC000880258636 651411332 /nfs/dbraw/zinc/41/13/32/651411332.db2.gz BOLYKXHNAVSHRV-HNNXBMFYSA-N 2 1 297.402 2.285 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000882916822 652268494 /nfs/dbraw/zinc/26/84/94/652268494.db2.gz XSJATOXRIGDGLH-QDMKHBRRSA-N 2 1 266.429 2.002 20 0 CEADMP COC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)[C@H]1CCCOC1 ZINC000883167265 652386582 /nfs/dbraw/zinc/38/65/82/652386582.db2.gz UGBNPIZNRFESQA-IKGGRYGDSA-N 2 1 298.471 2.282 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CCC2(CCOCC2)O1 ZINC000883418939 652463009 /nfs/dbraw/zinc/46/30/09/652463009.db2.gz WICPDLLUFOIYGQ-CABCVRRESA-N 2 1 284.444 2.020 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)CC[C@@H]1[NH3+] ZINC000883427333 652465937 /nfs/dbraw/zinc/46/59/37/652465937.db2.gz OGSLAVJWTCJDON-OAGGEKHMSA-N 2 1 296.455 2.021 20 0 CEADMP C([C@H]1CCC2(CCC2)O1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000883429315 652466714 /nfs/dbraw/zinc/46/67/14/652466714.db2.gz RXLCMKFSHHPQHP-HRCADAONSA-N 2 1 278.440 2.410 20 0 CEADMP C([C@H]1CCC2(CCC2)O1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000883430444 652467372 /nfs/dbraw/zinc/46/73/72/652467372.db2.gz VNARITZBAACUSF-CABCVRRESA-N 2 1 264.413 2.164 20 0 CEADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc3ccccc3c2)C[C@@H]1[NH3+] ZINC000883442911 652471704 /nfs/dbraw/zinc/47/17/04/652471704.db2.gz VVRDPFAFXCHMDQ-JKSUJKDBSA-N 2 1 297.402 2.494 20 0 CEADMP C[N@@H+](C[C@@H]1CCC2(CCOCC2)O1)C1(C[NH3+])CCCCC1 ZINC000883455216 652476142 /nfs/dbraw/zinc/47/61/42/652476142.db2.gz XLNYTKKFNHZVBQ-HNNXBMFYSA-N 2 1 296.455 2.308 20 0 CEADMP COC(=O)C(C)(C)C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(C)C ZINC000883460970 652477364 /nfs/dbraw/zinc/47/73/64/652477364.db2.gz LNZUGHWBVUICOQ-AWEZNQCLSA-N 2 1 284.444 2.143 20 0 CEADMP C([C@@H]1CC2(CCC2)CO1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883460148 652477625 /nfs/dbraw/zinc/47/76/25/652477625.db2.gz QNECZXXLFVUDBX-AWEZNQCLSA-N 2 1 264.413 2.164 20 0 CEADMP C([C@@H]1CC2(CCC2)CO1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883460148 652477628 /nfs/dbraw/zinc/47/76/28/652477628.db2.gz QNECZXXLFVUDBX-AWEZNQCLSA-N 2 1 264.413 2.164 20 0 CEADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000884188231 652745883 /nfs/dbraw/zinc/74/58/83/652745883.db2.gz BYCCLMOGYQAICO-RBSFLKMASA-N 2 1 297.487 2.233 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000884200899 652749870 /nfs/dbraw/zinc/74/98/70/652749870.db2.gz LUFAHOLSDRIFBJ-ILXRZTDVSA-N 2 1 297.487 2.233 20 0 CEADMP CC[C@@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)[NH+]1CCCC1 ZINC000885920840 653069326 /nfs/dbraw/zinc/06/93/26/653069326.db2.gz IUNACMIJADYGSD-HOTGVXAUSA-N 2 1 296.455 2.179 20 0 CEADMP CC(C)[N@@H+](CCCO)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167996156 805604180 /nfs/dbraw/zinc/60/41/80/805604180.db2.gz XVDIHDQZXMNLRT-SJPCQFCGSA-N 2 1 280.456 2.485 20 0 CEADMP CC(C)[NH+](CCCO)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167996156 805604186 /nfs/dbraw/zinc/60/41/86/805604186.db2.gz XVDIHDQZXMNLRT-SJPCQFCGSA-N 2 1 280.456 2.485 20 0 CEADMP CC(C)[NH+](CCCO)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167996156 805604191 /nfs/dbraw/zinc/60/41/91/805604191.db2.gz XVDIHDQZXMNLRT-SJPCQFCGSA-N 2 1 280.456 2.485 20 0 CEADMP CC[N@H+]1C[C@@H]2C[C@H]1CN2C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001831 805639646 /nfs/dbraw/zinc/63/96/46/805639646.db2.gz ITVLGQGTUKGZNA-MPBYHJMHSA-N 2 1 289.467 2.170 20 0 CEADMP CC[NH+]1C[C@@H]2C[C@H]1CN2C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168001831 805639650 /nfs/dbraw/zinc/63/96/50/805639650.db2.gz ITVLGQGTUKGZNA-MPBYHJMHSA-N 2 1 289.467 2.170 20 0 CEADMP CC[NH+]1C[C@@H]2C[C@H]1CN2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168001831 805639655 /nfs/dbraw/zinc/63/96/55/805639655.db2.gz ITVLGQGTUKGZNA-MPBYHJMHSA-N 2 1 289.467 2.170 20 0 CEADMP COC[C@@H]1CCCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000696645129 805749843 /nfs/dbraw/zinc/74/98/43/805749843.db2.gz IBJCDPBZTCECLI-LSDHHAIUSA-N 2 1 254.418 2.125 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC2CCC2)CC1 ZINC001203442677 805816702 /nfs/dbraw/zinc/81/67/02/805816702.db2.gz LDGHDNXYRLPOLE-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CCCCC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168029803 805821484 /nfs/dbraw/zinc/82/14/84/805821484.db2.gz KBEUFYWZZMQLEL-JKSUJKDBSA-N 2 1 295.471 2.289 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001029758990 806063421 /nfs/dbraw/zinc/06/34/21/806063421.db2.gz ILXYIEDGBVTQHM-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001029758990 806063427 /nfs/dbraw/zinc/06/34/27/806063427.db2.gz ILXYIEDGBVTQHM-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001029758990 806063434 /nfs/dbraw/zinc/06/34/34/806063434.db2.gz ILXYIEDGBVTQHM-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001088382384 806175252 /nfs/dbraw/zinc/17/52/52/806175252.db2.gz ZUZCGGIGYMSABK-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)C(C)C)C1 ZINC001029910297 806285818 /nfs/dbraw/zinc/28/58/18/806285818.db2.gz DJESCROXTKATRT-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)C(C)C)C1 ZINC001029910297 806285823 /nfs/dbraw/zinc/28/58/23/806285823.db2.gz DJESCROXTKATRT-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC001029910297 806285829 /nfs/dbraw/zinc/28/58/29/806285829.db2.gz DJESCROXTKATRT-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@]3(CC[NH+](C)C3)C1)C2 ZINC001168282686 806605951 /nfs/dbraw/zinc/60/59/51/806605951.db2.gz LNXXXDKIPGPNRY-FUHWJXTLSA-N 2 1 286.419 2.190 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH+]1CC[C@@]3(CC[N@H+](C)C3)C1)C2 ZINC001168282686 806605955 /nfs/dbraw/zinc/60/59/55/806605955.db2.gz LNXXXDKIPGPNRY-FUHWJXTLSA-N 2 1 286.419 2.190 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH+]1CC[C@@]3(CC[N@@H+](C)C3)C1)C2 ZINC001168282686 806605960 /nfs/dbraw/zinc/60/59/60/806605960.db2.gz LNXXXDKIPGPNRY-FUHWJXTLSA-N 2 1 286.419 2.190 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001168299090 806635979 /nfs/dbraw/zinc/63/59/79/806635979.db2.gz GLJSHWXLDNQTOY-XMGYEWCTSA-N 3 1 279.472 2.464 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001168299090 806635982 /nfs/dbraw/zinc/63/59/82/806635982.db2.gz GLJSHWXLDNQTOY-XMGYEWCTSA-N 3 1 279.472 2.464 20 0 CEADMP COC(=O)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C1CCCC1 ZINC001168303713 806638966 /nfs/dbraw/zinc/63/89/66/806638966.db2.gz AHNKHBGXEHEFFH-NRXISQOPSA-N 2 1 282.428 2.181 20 0 CEADMP COC[C@@H]1CCCC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168313797 806645912 /nfs/dbraw/zinc/64/59/12/806645912.db2.gz HPBOMYANIJEQLN-NRXISQOPSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC001168315886 806647822 /nfs/dbraw/zinc/64/78/22/806647822.db2.gz PPFDBFKVXJGSOZ-PRLABOORSA-N 2 1 266.429 2.360 20 0 CEADMP Cc1nc([C@@H]2CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)no1 ZINC001168315011 806649041 /nfs/dbraw/zinc/64/90/41/806649041.db2.gz OIZZDBAMRCVILP-WLYUNCDWSA-N 2 1 292.427 2.430 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@]3(CCC(=O)O3)C2)CC1 ZINC001168328444 806657835 /nfs/dbraw/zinc/65/78/35/806657835.db2.gz GTPYRIFHPJGONQ-ZBCRRDGASA-N 2 1 280.412 2.031 20 0 CEADMP C[NH+](C)C1CCC([N@@H+]2CC[C@@H](N3CCCC3)[C@@H](F)C2)CC1 ZINC001168334774 806662667 /nfs/dbraw/zinc/66/26/67/806662667.db2.gz WRPCQDPHKLOJCS-SJJHQCBESA-N 2 1 297.462 2.367 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](N3CCCC3)[C@@H](F)C2)CC1 ZINC001168334774 806662674 /nfs/dbraw/zinc/66/26/74/806662674.db2.gz WRPCQDPHKLOJCS-SJJHQCBESA-N 2 1 297.462 2.367 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)CC1 ZINC001168334344 806661635 /nfs/dbraw/zinc/66/16/35/806661635.db2.gz RFXCPSZERXWPFJ-VXGQWTEUSA-N 2 1 264.413 2.160 20 0 CEADMP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001142590500 806744220 /nfs/dbraw/zinc/74/42/20/806744220.db2.gz BYLZETJVRBZRTN-GASCZTMLSA-N 2 1 283.460 2.096 20 0 CEADMP C[NH+](C)Cc1ccc(-c2noc(C3([NH3+])CC(F)C3)n2)cc1 ZINC001212122253 806744532 /nfs/dbraw/zinc/74/45/32/806744532.db2.gz QHFOEKZGKAOVLV-UHFFFAOYSA-N 2 1 290.342 2.084 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OCCC[NH+]1CCCC1)C2 ZINC001224748097 806932977 /nfs/dbraw/zinc/93/29/77/806932977.db2.gz ISNSONIGHFXWTN-FICVDOATSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@@H]1C[N@H+](C2CC[NH+](CC3CC3)CC2)CCC[C@@]1(C)O ZINC001168371416 806952789 /nfs/dbraw/zinc/95/27/89/806952789.db2.gz FXAVHDNISSTVFE-RHSMWYFYSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+](C)CCN1CC[N@@H+](CCCC2CCCC2)CCC1=O ZINC001208091616 802341238 /nfs/dbraw/zinc/34/12/38/802341238.db2.gz NSAQIDRAGWGFNX-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C1CCOCC1 ZINC001208614538 802392717 /nfs/dbraw/zinc/39/27/17/802392717.db2.gz DVIACUBTCXHBEG-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C1CCOCC1 ZINC001208614538 802392727 /nfs/dbraw/zinc/39/27/27/802392727.db2.gz DVIACUBTCXHBEG-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C1CCOCC1 ZINC001208614538 802392737 /nfs/dbraw/zinc/39/27/37/802392737.db2.gz DVIACUBTCXHBEG-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C1CCOCC1 ZINC001208614538 802392745 /nfs/dbraw/zinc/39/27/45/802392745.db2.gz DVIACUBTCXHBEG-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CCCCC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001206793903 802402514 /nfs/dbraw/zinc/40/25/14/802402514.db2.gz FGQVFTCLECRQSH-UHFFFAOYSA-N 2 1 297.487 2.347 20 0 CEADMP Cc1cccc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000705343535 802413061 /nfs/dbraw/zinc/41/30/61/802413061.db2.gz AKDADTZIWARTMF-SFHVURJKSA-N 2 1 297.402 2.439 20 0 CEADMP Cc1cccc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000705343535 802413068 /nfs/dbraw/zinc/41/30/68/802413068.db2.gz AKDADTZIWARTMF-SFHVURJKSA-N 2 1 297.402 2.439 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2ccnc(N(C)C)c2)[C@H](C)C1 ZINC000754063850 802506890 /nfs/dbraw/zinc/50/68/90/802506890.db2.gz CPTWUZTZJIMCTP-ZBFHGGJFSA-N 2 1 290.455 2.310 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnc(N(C)C)c2)[C@H](C)C1 ZINC000754063850 802506908 /nfs/dbraw/zinc/50/69/08/802506908.db2.gz CPTWUZTZJIMCTP-ZBFHGGJFSA-N 2 1 290.455 2.310 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnc(N(C)C)c2)[C@H](C)C1 ZINC000754063850 802506910 /nfs/dbraw/zinc/50/69/10/802506910.db2.gz CPTWUZTZJIMCTP-ZBFHGGJFSA-N 2 1 290.455 2.310 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000693011111 802528700 /nfs/dbraw/zinc/52/87/00/802528700.db2.gz WAPJJNBRVUJUNX-GDBMZVCRSA-N 2 1 262.397 2.042 20 0 CEADMP CCC[N@H+]1CC[C@H](CNCc2ccc(O)c(F)c2)C1 ZINC000693029599 802555308 /nfs/dbraw/zinc/55/53/08/802555308.db2.gz AYPIKOWEBFEMKY-CYBMUJFWSA-N 2 1 266.360 2.353 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000693029599 802555310 /nfs/dbraw/zinc/55/53/10/802555310.db2.gz AYPIKOWEBFEMKY-CYBMUJFWSA-N 2 1 266.360 2.353 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000693029599 802555314 /nfs/dbraw/zinc/55/53/14/802555314.db2.gz AYPIKOWEBFEMKY-CYBMUJFWSA-N 2 1 266.360 2.353 20 0 CEADMP Cc1ncsc1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001206992539 802669862 /nfs/dbraw/zinc/66/98/62/802669862.db2.gz YHAYFWOVTWVZCU-UHFFFAOYSA-N 2 1 288.420 2.477 20 0 CEADMP CCCCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001266570001 802725979 /nfs/dbraw/zinc/72/59/79/802725979.db2.gz VRPTYJHVLLAUKM-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)C[C@@H]1C[NH3+] ZINC000721472388 802845334 /nfs/dbraw/zinc/84/53/34/802845334.db2.gz DBMIQLMDCIRFKJ-QNWJLWSRSA-N 2 1 294.361 2.402 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723674874 802923105 /nfs/dbraw/zinc/92/31/05/802923105.db2.gz DZGWFJHFVAHKGP-OAHLLOKOSA-N 2 1 262.397 2.353 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000723968851 802979395 /nfs/dbraw/zinc/97/93/95/802979395.db2.gz LJWAZFXARIARLN-HOTGVXAUSA-N 2 1 277.412 2.376 20 0 CEADMP COc1ccccc1C[C@@H](C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693561871 803085023 /nfs/dbraw/zinc/08/50/23/803085023.db2.gz LISJDPIWWOJXHX-NFAWXSAZSA-N 2 1 262.397 2.295 20 0 CEADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCCC1CCCC1 ZINC001133820117 813159273 /nfs/dbraw/zinc/15/92/73/813159273.db2.gz YUVFLDUJAJGALH-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001267178996 803197699 /nfs/dbraw/zinc/19/76/99/803197699.db2.gz IOCXUQZEEGBDDL-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC1 ZINC001167634344 803222042 /nfs/dbraw/zinc/22/20/42/803222042.db2.gz IAXVXWUAUWIHAI-MRXNPFEDSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001267268936 803314085 /nfs/dbraw/zinc/31/40/85/803314085.db2.gz IHQMAWHNQCFRRC-CVEARBPZSA-N 2 1 295.471 2.119 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CCO)C1CCCC1 ZINC000725095388 803426405 /nfs/dbraw/zinc/42/64/05/803426405.db2.gz LOLRIRCZDXXOKY-HUUCEWRRSA-N 2 1 254.418 2.002 20 0 CEADMP Clc1ccc2c(ccn2CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000685561478 803456175 /nfs/dbraw/zinc/45/61/75/803456175.db2.gz FLFOAPIHQNIOSY-OKILXGFUSA-N 2 1 289.810 2.446 20 0 CEADMP [NH3+]CCCO[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001217914179 803499166 /nfs/dbraw/zinc/49/91/66/803499166.db2.gz XHRLQCVMGUGDPC-CQSZACIVSA-N 2 1 266.360 2.156 20 0 CEADMP FC1(F)[C@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@H]21 ZINC000715444363 814957144 /nfs/dbraw/zinc/95/71/44/814957144.db2.gz AQPDFPSLGGWIPH-PHIMTYICSA-N 2 1 270.348 2.091 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715478714 814958997 /nfs/dbraw/zinc/95/89/97/814958997.db2.gz FCTMPUZYLWEPRJ-ATGSNQNLSA-N 2 1 252.402 2.146 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715478714 814959000 /nfs/dbraw/zinc/95/90/00/814959000.db2.gz FCTMPUZYLWEPRJ-ATGSNQNLSA-N 2 1 252.402 2.146 20 0 CEADMP C[N@@H+](C[C@@H]1CC[C@H](C2CC2)O1)C1CCC([NH3+])CC1 ZINC000715482978 814959360 /nfs/dbraw/zinc/95/93/60/814959360.db2.gz PLSRPSIRMPNADX-PFSRBDOWSA-N 2 1 252.402 2.146 20 0 CEADMP FC1(F)[C@H]2C[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC000715388746 814963405 /nfs/dbraw/zinc/96/34/05/814963405.db2.gz NHWXWAAYMMSFQJ-LZJXMMRTSA-N 2 1 256.340 2.104 20 0 CEADMP Cc1csc(C[NH2+]Cc2cccc3c2CC[NH2+]C3)n1 ZINC000123934279 803863621 /nfs/dbraw/zinc/86/36/21/803863621.db2.gz CICFWGZYJZTEBQ-UHFFFAOYSA-N 2 1 273.405 2.387 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1)C1CC1 ZINC000715535523 814974063 /nfs/dbraw/zinc/97/40/63/814974063.db2.gz LKWIEEFXDWMROO-DLBZAZTESA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)CC[N@@H+]1C ZINC000715542977 814975148 /nfs/dbraw/zinc/97/51/48/814975148.db2.gz MXCMULGFAQTDQG-JWMHWRSXSA-N 3 1 267.461 2.322 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)CC[N@H+]1C ZINC000715542977 814975154 /nfs/dbraw/zinc/97/51/54/814975154.db2.gz MXCMULGFAQTDQG-JWMHWRSXSA-N 3 1 267.461 2.322 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@H]2CCCc3[nH]ncc32)CC1 ZINC000335622499 804052496 /nfs/dbraw/zinc/05/24/96/804052496.db2.gz PKRIQOWZXILKMZ-YIZWMMSDSA-N 2 1 262.401 2.250 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001027694688 804198351 /nfs/dbraw/zinc/19/83/51/804198351.db2.gz HTNAMMRFPSTFDZ-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001027694688 804198358 /nfs/dbraw/zinc/19/83/58/804198358.db2.gz HTNAMMRFPSTFDZ-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001027694688 804198362 /nfs/dbraw/zinc/19/83/62/804198362.db2.gz HTNAMMRFPSTFDZ-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)C(C)C)C1 ZINC001027695481 804199633 /nfs/dbraw/zinc/19/96/33/804199633.db2.gz WKYWLYGFXUSUEU-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)C(C)C)C1 ZINC001027695481 804199640 /nfs/dbraw/zinc/19/96/40/804199640.db2.gz WKYWLYGFXUSUEU-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)C(C)C)C1 ZINC001027695481 804199644 /nfs/dbraw/zinc/19/96/44/804199644.db2.gz WKYWLYGFXUSUEU-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP Oc1ccc(C[N@@H+]2CCC[NH2+]CC2)c2ccccc12 ZINC001204660771 804307437 /nfs/dbraw/zinc/30/74/37/804307437.db2.gz LWBDXZKVZPERFR-UHFFFAOYSA-N 2 1 256.349 2.341 20 0 CEADMP Oc1ccc(C[N@H+]2CCC[NH2+]CC2)c2ccccc12 ZINC001204660771 804307447 /nfs/dbraw/zinc/30/74/47/804307447.db2.gz LWBDXZKVZPERFR-UHFFFAOYSA-N 2 1 256.349 2.341 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716028127 815015590 /nfs/dbraw/zinc/01/55/90/815015590.db2.gz ZKFYUTIEQYQLCF-JWURUJNWSA-N 2 1 254.443 2.391 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN(C(C)(C)C)C(=O)C1 ZINC001167836527 804429178 /nfs/dbraw/zinc/42/91/78/804429178.db2.gz FCADFUZDJVWUNA-HNNXBMFYSA-N 2 1 297.487 2.440 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(C(C)(C)C)C(=O)C1 ZINC001167836527 804429182 /nfs/dbraw/zinc/42/91/82/804429182.db2.gz FCADFUZDJVWUNA-HNNXBMFYSA-N 2 1 297.487 2.440 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2c(ncn2C)C1 ZINC001167837161 804431245 /nfs/dbraw/zinc/43/12/45/804431245.db2.gz IQSNQGDOYMOGNM-AWEZNQCLSA-N 2 1 278.444 2.289 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127078869 807010131 /nfs/dbraw/zinc/01/01/31/807010131.db2.gz UHXSFNQFBPBIRQ-OAHLLOKOSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001268227841 804556203 /nfs/dbraw/zinc/55/62/03/804556203.db2.gz XTDLKTHMYYKGJS-CVEARBPZSA-N 2 1 297.487 2.105 20 0 CEADMP CCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001269025968 805028058 /nfs/dbraw/zinc/02/80/58/805028058.db2.gz LYOIFDLKDDIJCQ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001269025968 805028065 /nfs/dbraw/zinc/02/80/65/805028065.db2.gz LYOIFDLKDDIJCQ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001269025968 805028077 /nfs/dbraw/zinc/02/80/77/805028077.db2.gz LYOIFDLKDDIJCQ-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(N([C@@H]2C[C@H]3C[C@H]3C2)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001167947572 805100716 /nfs/dbraw/zinc/10/07/16/805100716.db2.gz BPYUMCHRXPWOCA-MIFYACCESA-N 2 1 286.423 2.450 20 0 CEADMP CCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001269262516 805105134 /nfs/dbraw/zinc/10/51/34/805105134.db2.gz IJPLYLIWROZUNU-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001269262516 805105136 /nfs/dbraw/zinc/10/51/36/805105136.db2.gz IJPLYLIWROZUNU-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001269262516 805105139 /nfs/dbraw/zinc/10/51/39/805105139.db2.gz IJPLYLIWROZUNU-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269288214 805113712 /nfs/dbraw/zinc/11/37/12/805113712.db2.gz RRYKOECKCUUYRL-HOTGVXAUSA-N 2 1 297.487 2.440 20 0 CEADMP CC/C=C/CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001269297212 805118697 /nfs/dbraw/zinc/11/86/97/805118697.db2.gz VSMSNZDCTGXICO-KXPUMZMLSA-N 2 1 295.471 2.216 20 0 CEADMP CC/C=C/CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001269297212 805118703 /nfs/dbraw/zinc/11/87/03/805118703.db2.gz VSMSNZDCTGXICO-KXPUMZMLSA-N 2 1 295.471 2.216 20 0 CEADMP CC/C=C/CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001269297212 805118710 /nfs/dbraw/zinc/11/87/10/805118710.db2.gz VSMSNZDCTGXICO-KXPUMZMLSA-N 2 1 295.471 2.216 20 0 CEADMP C[C@@H]1OCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@H]1C ZINC000688049346 805313942 /nfs/dbraw/zinc/31/39/42/805313942.db2.gz QMMNZLZVTZSEGP-QWRGUYRKSA-N 2 1 266.410 2.003 20 0 CEADMP C[C@@H]1OCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@H]1C ZINC000688049346 805313945 /nfs/dbraw/zinc/31/39/45/805313945.db2.gz QMMNZLZVTZSEGP-QWRGUYRKSA-N 2 1 266.410 2.003 20 0 CEADMP CCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001270604282 805483146 /nfs/dbraw/zinc/48/31/46/805483146.db2.gz QCGZPNVAQWALKU-GJZGRUSLSA-N 2 1 283.460 2.003 20 0 CEADMP CC(C)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001168388703 807047817 /nfs/dbraw/zinc/04/78/17/807047817.db2.gz GMPRVZUMPWZKMU-QGZVFWFLSA-N 2 1 279.472 2.275 20 0 CEADMP CC[N@@H+](C)C1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168395260 807073708 /nfs/dbraw/zinc/07/37/08/807073708.db2.gz SOEDBNVDZIKDGF-UHFFFAOYSA-N 2 1 279.472 2.277 20 0 CEADMP CCC[N@@H+](CCc1ccccn1)CC1CC[NH2+]CC1 ZINC000094025451 807289935 /nfs/dbraw/zinc/28/99/35/807289935.db2.gz XJTDDAPVUXAXKD-UHFFFAOYSA-N 2 1 261.413 2.336 20 0 CEADMP C([C@@H]1CCC2(CCC2)CO1)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000716320939 815114543 /nfs/dbraw/zinc/11/45/43/815114543.db2.gz UIMARXFDJIAMBJ-PMPSAXMXSA-N 2 1 278.440 2.410 20 0 CEADMP FC(F)(F)[C@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000698771952 807405722 /nfs/dbraw/zinc/40/57/22/807405722.db2.gz AJGAIRAMQYCHCK-PSEXLTFBSA-N 2 1 292.345 2.170 20 0 CEADMP FC(F)(F)[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000698771952 807405725 /nfs/dbraw/zinc/40/57/25/807405725.db2.gz AJGAIRAMQYCHCK-PSEXLTFBSA-N 2 1 292.345 2.170 20 0 CEADMP CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001272476710 807519543 /nfs/dbraw/zinc/51/95/43/807519543.db2.gz NIPGKZVAAKZHCJ-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171448222 815126949 /nfs/dbraw/zinc/12/69/49/815126949.db2.gz KKZGKSYCLLEOMV-RISCZKNCSA-N 2 1 280.362 2.363 20 0 CEADMP CC(C)([NH3+])CC[NH2+]Cc1ncccc1C(F)(F)F ZINC001119544706 815128181 /nfs/dbraw/zinc/12/81/81/815128181.db2.gz QRKHFTJIIJCLAH-UHFFFAOYSA-N 2 1 261.291 2.317 20 0 CEADMP CC[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716628412 815137403 /nfs/dbraw/zinc/13/74/03/815137403.db2.gz WQLCWIKXFJLDQD-XSLAGTTESA-N 2 1 288.435 2.400 20 0 CEADMP CC[C@@H]1COC[C@H]1[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000699515941 807734496 /nfs/dbraw/zinc/73/44/96/807734496.db2.gz PROFSGORMAZMBE-KFWWJZLASA-N 2 1 254.418 2.121 20 0 CEADMP CC[C@@H](C)c1nn(C)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205130469 807734824 /nfs/dbraw/zinc/73/48/24/807734824.db2.gz FEKSUMYJGZIVAM-OCCSQVGLSA-N 2 1 264.417 2.247 20 0 CEADMP CN1CC[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716695442 815143127 /nfs/dbraw/zinc/14/31/27/815143127.db2.gz XCFKNOGACCTXGN-RDGPPVDQSA-N 2 1 299.462 2.333 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3cccnc3c2)C[C@H]1C[NH3+] ZINC001205140878 807788813 /nfs/dbraw/zinc/78/88/13/807788813.db2.gz QEGMMYQWNPXMPM-SWLSCSKDSA-N 2 1 255.365 2.261 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CC ZINC001099321381 807957754 /nfs/dbraw/zinc/95/77/54/807957754.db2.gz VWUBWDIAVGCRPU-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099321381 807957758 /nfs/dbraw/zinc/95/77/58/807957758.db2.gz VWUBWDIAVGCRPU-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC ZINC001099321381 807957762 /nfs/dbraw/zinc/95/77/62/807957762.db2.gz VWUBWDIAVGCRPU-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)CC1 ZINC001119935754 815173699 /nfs/dbraw/zinc/17/36/99/815173699.db2.gz KMNQFRODARXOMY-CQSZACIVSA-N 2 1 262.401 2.279 20 0 CEADMP CC(C)(C[NH3+])[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171508803 815189904 /nfs/dbraw/zinc/18/99/04/815189904.db2.gz QLWPYYVJFVRNOA-VIFPVBQESA-N 2 1 272.314 2.288 20 0 CEADMP CC(C)C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001120208001 815204494 /nfs/dbraw/zinc/20/44/94/815204494.db2.gz QCXDATGUHFBTAZ-UHFFFAOYSA-N 2 1 297.487 2.391 20 0 CEADMP CC(C)C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C(N)=O ZINC001171622884 815206254 /nfs/dbraw/zinc/20/62/54/815206254.db2.gz BJCUYDUVZFTPJK-ZDUSSCGKSA-N 2 1 283.460 2.127 20 0 CEADMP CC(=O)N[C@@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171636889 815214132 /nfs/dbraw/zinc/21/41/32/815214132.db2.gz JMBAZYSEYCDHIL-CQSZACIVSA-N 2 1 295.471 2.238 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001205210306 808558958 /nfs/dbraw/zinc/55/89/58/808558958.db2.gz NRVQKQKBEFYHTK-HNNXBMFYSA-N 2 1 254.418 2.133 20 0 CEADMP Cc1cc(C[NH3+])nn1[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171726536 815218018 /nfs/dbraw/zinc/21/80/18/815218018.db2.gz XJKJPRHHZWBALB-GUYCJALGSA-N 2 1 284.407 2.486 20 0 CEADMP C[C@H]1C[C@@H](n2ccnc2C(N)=[NH2+])C[N@H+]1Cc1ccccc1 ZINC001171729428 815219462 /nfs/dbraw/zinc/21/94/62/815219462.db2.gz UKABNYJJKCRXSP-GXTWGEPZSA-N 2 1 283.379 2.003 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)ccc1Cl ZINC001205221013 808624900 /nfs/dbraw/zinc/62/49/00/808624900.db2.gz OUEAUASCRFHYFB-HNNXBMFYSA-N 2 1 298.814 2.024 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001205247419 808699589 /nfs/dbraw/zinc/69/95/89/808699589.db2.gz HGIWYZUMQHAYJD-QGZVFWFLSA-N 2 1 292.398 2.379 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000074181330 808920511 /nfs/dbraw/zinc/92/05/11/808920511.db2.gz DCWYRIBOCMPJBC-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000074181330 808920518 /nfs/dbraw/zinc/92/05/18/808920518.db2.gz DCWYRIBOCMPJBC-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000074181330 808920522 /nfs/dbraw/zinc/92/05/22/808920522.db2.gz DCWYRIBOCMPJBC-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168706239 809051742 /nfs/dbraw/zinc/05/17/42/809051742.db2.gz ZXWKJORMMDHFST-PWSUYJOCSA-N 2 1 252.789 2.334 20 0 CEADMP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001273084626 809205562 /nfs/dbraw/zinc/20/55/62/809205562.db2.gz VMCORDNLFGCCMN-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033198416 809231596 /nfs/dbraw/zinc/23/15/96/809231596.db2.gz LEVOEZVFRZKWOG-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033198416 809231598 /nfs/dbraw/zinc/23/15/98/809231598.db2.gz LEVOEZVFRZKWOG-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033198416 809231601 /nfs/dbraw/zinc/23/16/01/809231601.db2.gz LEVOEZVFRZKWOG-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033353932 809278205 /nfs/dbraw/zinc/27/82/05/809278205.db2.gz KDVBSBRAUBNOFB-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033353932 809278208 /nfs/dbraw/zinc/27/82/08/809278208.db2.gz KDVBSBRAUBNOFB-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001033353932 809278209 /nfs/dbraw/zinc/27/82/09/809278209.db2.gz KDVBSBRAUBNOFB-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP [NH3+][C@H]1CC[N@H+](CCc2c(F)cccc2F)CC[C@H]1F ZINC001206156889 815280920 /nfs/dbraw/zinc/28/09/20/815280920.db2.gz TXENSEFQEQEDQZ-KGLIPLIRSA-N 2 1 272.314 2.269 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](CCc2c(F)cccc2F)CC[C@H]1F ZINC001206156889 815280925 /nfs/dbraw/zinc/28/09/25/815280925.db2.gz TXENSEFQEQEDQZ-KGLIPLIRSA-N 2 1 272.314 2.269 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC)C1 ZINC001033576236 809344302 /nfs/dbraw/zinc/34/43/02/809344302.db2.gz VPIOBHNMOCFXQT-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC)C1 ZINC001033576236 809344304 /nfs/dbraw/zinc/34/43/04/809344304.db2.gz VPIOBHNMOCFXQT-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC)C1 ZINC001033576236 809344312 /nfs/dbraw/zinc/34/43/12/809344312.db2.gz VPIOBHNMOCFXQT-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000700736396 809347101 /nfs/dbraw/zinc/34/71/01/809347101.db2.gz ABNBBQIQRYUYLJ-OCCSQVGLSA-N 2 1 297.443 2.068 20 0 CEADMP Cc1cnccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098971 815282948 /nfs/dbraw/zinc/28/29/48/815282948.db2.gz HNFZLNSLZJZKKB-PHZGNYQRSA-N 2 1 259.397 2.495 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](CCc2cc(F)cc(F)c2)CC[C@@H]1F ZINC001206156345 815282974 /nfs/dbraw/zinc/28/29/74/815282974.db2.gz QGFREAQKCXYGJM-UONOGXRCSA-N 2 1 272.314 2.269 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](CCc2cc(F)cc(F)c2)CC[C@@H]1F ZINC001206156345 815282979 /nfs/dbraw/zinc/28/29/79/815282979.db2.gz QGFREAQKCXYGJM-UONOGXRCSA-N 2 1 272.314 2.269 20 0 CEADMP COc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccn1 ZINC001172098208 815283020 /nfs/dbraw/zinc/28/30/20/815283020.db2.gz BVVJFGVLGHNBRC-QDMKHBRRSA-N 2 1 275.396 2.195 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1ccccc1)C2 ZINC001172100910 815283862 /nfs/dbraw/zinc/28/38/62/815283862.db2.gz UXQJIYFHZUBSGT-YVSFHVDLSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1C[C@H]([NH3+])Cc3ccccc31)C2 ZINC001172100784 815284631 /nfs/dbraw/zinc/28/46/31/815284631.db2.gz TXCNIMPFUQVHKM-NCOADZHNSA-N 2 1 285.435 2.392 20 0 CEADMP COC(=O)[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1C ZINC001172124934 815285265 /nfs/dbraw/zinc/28/52/65/815285265.db2.gz NAGKFUBIVSKZRX-RBGFHDKUSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H]1C ZINC001172124934 815285269 /nfs/dbraw/zinc/28/52/69/815285269.db2.gz NAGKFUBIVSKZRX-RBGFHDKUSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1C ZINC001172124934 815285274 /nfs/dbraw/zinc/28/52/74/815285274.db2.gz NAGKFUBIVSKZRX-RBGFHDKUSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC001172124934 815285276 /nfs/dbraw/zinc/28/52/76/815285276.db2.gz NAGKFUBIVSKZRX-RBGFHDKUSA-N 2 1 294.439 2.275 20 0 CEADMP COC(=O)C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172127963 815286595 /nfs/dbraw/zinc/28/65/95/815286595.db2.gz MIDHRTBEFWSQRK-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172127963 815286599 /nfs/dbraw/zinc/28/65/99/815286599.db2.gz MIDHRTBEFWSQRK-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172127963 815286602 /nfs/dbraw/zinc/28/66/02/815286602.db2.gz MIDHRTBEFWSQRK-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172127963 815286606 /nfs/dbraw/zinc/28/66/06/815286606.db2.gz MIDHRTBEFWSQRK-CAOSSQGBSA-N 2 1 294.439 2.277 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](C(C)C)C2)CC[N@H+]1C ZINC001033834219 809429762 /nfs/dbraw/zinc/42/97/62/809429762.db2.gz DPJQHCAEFLWLSG-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH+]1C ZINC001033834219 809429766 /nfs/dbraw/zinc/42/97/66/809429766.db2.gz DPJQHCAEFLWLSG-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](C(C)C)C2)CC[NH+]1C ZINC001033834219 809429771 /nfs/dbraw/zinc/42/97/71/809429771.db2.gz DPJQHCAEFLWLSG-OWCLPIDISA-N 2 1 295.471 2.048 20 0 CEADMP CCC/C=C\CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128778725 809448885 /nfs/dbraw/zinc/44/88/85/809448885.db2.gz KWMVOHPESOPJSR-WLMCBFPDSA-N 2 1 295.471 2.313 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC13CCOCC3)C2 ZINC001172107484 815296628 /nfs/dbraw/zinc/29/66/28/815296628.db2.gz YGCLPRJRHCXWAM-XQLPTFJDSA-N 2 1 264.413 2.160 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC13CCOCC3)C2 ZINC001172107484 815296634 /nfs/dbraw/zinc/29/66/34/815296634.db2.gz YGCLPRJRHCXWAM-XQLPTFJDSA-N 2 1 264.413 2.160 20 0 CEADMP C[NH+](C)CCC(C)(C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172112203 815299585 /nfs/dbraw/zinc/29/95/85/815299585.db2.gz TXXBLJBAJXGFQV-QKDCVEJESA-N 2 1 267.461 2.322 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1[nH+]cn3ccccc13)C2 ZINC001172109978 815301476 /nfs/dbraw/zinc/30/14/76/815301476.db2.gz HSDKDYKLLKNGFA-QKDCVEJESA-N 2 1 284.407 2.439 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1[nH+]cn3ccccc13)C2 ZINC001172109978 815301482 /nfs/dbraw/zinc/30/14/82/815301482.db2.gz HSDKDYKLLKNGFA-QKDCVEJESA-N 2 1 284.407 2.439 20 0 CEADMP CC(C)N([C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)(C)C[NH3+] ZINC001172113213 815302940 /nfs/dbraw/zinc/30/29/40/815302940.db2.gz HMCOBJGWRWQPNN-QDMKHBRRSA-N 2 1 267.461 2.449 20 0 CEADMP CC(C)[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172114324 815304522 /nfs/dbraw/zinc/30/45/22/815304522.db2.gz QLKWRAIMSJSAPK-MUJYYYPQSA-N 2 1 265.445 2.028 20 0 CEADMP C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1CO ZINC001172116902 815305812 /nfs/dbraw/zinc/30/58/12/815305812.db2.gz DSPAAGCDSXZOKZ-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]1CO ZINC001172116902 815305819 /nfs/dbraw/zinc/30/58/19/815305819.db2.gz DSPAAGCDSXZOKZ-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1CO ZINC001172116902 815305824 /nfs/dbraw/zinc/30/58/24/815305824.db2.gz DSPAAGCDSXZOKZ-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1CO ZINC001172116902 815305831 /nfs/dbraw/zinc/30/58/31/815305831.db2.gz DSPAAGCDSXZOKZ-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP COc1cccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001172119238 815306427 /nfs/dbraw/zinc/30/64/27/815306427.db2.gz WSOOWTMXSKZHKM-QDMKHBRRSA-N 2 1 275.396 2.195 20 0 CEADMP COc1cccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172119238 815306433 /nfs/dbraw/zinc/30/64/33/815306433.db2.gz WSOOWTMXSKZHKM-QDMKHBRRSA-N 2 1 275.396 2.195 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc3ncccc3c1)C2 ZINC000703557571 809661917 /nfs/dbraw/zinc/66/19/17/809661917.db2.gz BFGPRSWRTQKHGR-DOTOQJQBSA-N 2 1 267.376 2.276 20 0 CEADMP CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001034683382 809662096 /nfs/dbraw/zinc/66/20/96/809662096.db2.gz VEZFAMFQIDFZGH-JYJNAYRXSA-N 2 1 295.471 2.144 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172119275 815307828 /nfs/dbraw/zinc/30/78/28/815307828.db2.gz XTNXSIGWVSJLBJ-OVYGPGRDSA-N 2 1 279.472 2.464 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001172119275 815307833 /nfs/dbraw/zinc/30/78/33/815307833.db2.gz XTNXSIGWVSJLBJ-OVYGPGRDSA-N 2 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172119275 815307839 /nfs/dbraw/zinc/30/78/39/815307839.db2.gz XTNXSIGWVSJLBJ-OVYGPGRDSA-N 3 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172119275 815307845 /nfs/dbraw/zinc/30/78/45/815307845.db2.gz XTNXSIGWVSJLBJ-OVYGPGRDSA-N 3 1 279.472 2.464 20 0 CEADMP CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001034796002 809695498 /nfs/dbraw/zinc/69/54/98/809695498.db2.gz BCWWBSZXSRFETI-LDKKBFSKSA-N 2 1 295.471 2.286 20 0 CEADMP CC1([NH3+])CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000704517698 809737715 /nfs/dbraw/zinc/73/77/15/809737715.db2.gz FTCPBGWSNDBGRV-VIFPVBQESA-N 2 1 251.201 2.384 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCOC[C@H]1C1CC1)C2 ZINC001172122384 815314017 /nfs/dbraw/zinc/31/40/17/815314017.db2.gz AJPLNWRKDCQODL-FZKCQIBNSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCOC[C@H]1C1CC1)C2 ZINC001172122384 815314023 /nfs/dbraw/zinc/31/40/23/815314023.db2.gz AJPLNWRKDCQODL-FZKCQIBNSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCOC[C@H]1C1CC1)C2 ZINC001172122384 815314029 /nfs/dbraw/zinc/31/40/29/815314029.db2.gz AJPLNWRKDCQODL-FZKCQIBNSA-N 2 1 264.413 2.113 20 0 CEADMP Cc1cc2cc(C[NH3+])ccc2n1C1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001172123618 815314182 /nfs/dbraw/zinc/31/41/82/815314182.db2.gz NNNHTXBXUVTLFZ-ALOPSCKCSA-N 2 1 299.418 2.443 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CSc3ccccc3C2)C1 ZINC001172190026 815318831 /nfs/dbraw/zinc/31/88/31/815318831.db2.gz ICWCYHHZVLTTPV-JSGCOSHPSA-N 2 1 262.422 2.245 20 0 CEADMP CC(C)[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001036556860 809921409 /nfs/dbraw/zinc/92/14/09/809921409.db2.gz SUJQKYOKKSXCQA-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H]2CC(C)(C)CO2)[C@@H]1C ZINC000708358729 809926943 /nfs/dbraw/zinc/92/69/43/809926943.db2.gz HPSMARVWJXXONV-SYQHCUMBSA-N 2 1 254.418 2.249 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CC(C)(C)CO2)[C@@H]1C ZINC000708358729 809926946 /nfs/dbraw/zinc/92/69/46/809926946.db2.gz HPSMARVWJXXONV-SYQHCUMBSA-N 2 1 254.418 2.249 20 0 CEADMP CCC[N@@H+](C[C@@H]1CC(C)(C)CO1)C1CC[NH2+]CC1 ZINC000708348709 809927535 /nfs/dbraw/zinc/92/75/35/809927535.db2.gz OEHBUPWQKXZKIU-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cncnc1 ZINC000708544843 809945047 /nfs/dbraw/zinc/94/50/47/809945047.db2.gz TTWPLVWJDGKNKS-CRAIPNDOSA-N 2 1 296.418 2.334 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cncnc1 ZINC000708544843 809945053 /nfs/dbraw/zinc/94/50/53/809945053.db2.gz TTWPLVWJDGKNKS-CRAIPNDOSA-N 2 1 296.418 2.334 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CC(C)(C)OC1(C)C ZINC000709689183 809952450 /nfs/dbraw/zinc/95/24/50/809952450.db2.gz UWNLTQXFIGBGFR-JHJVBQTASA-N 2 1 254.418 2.392 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000709688966 809952820 /nfs/dbraw/zinc/95/28/20/809952820.db2.gz URNVMPOMUDLFDN-STQMWFEESA-N 2 1 254.418 2.121 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)CC[NH2+]C1 ZINC000709557033 809965388 /nfs/dbraw/zinc/96/53/88/809965388.db2.gz OYOSWACXIILSMN-QWRGUYRKSA-N 2 1 250.308 2.260 20 0 CEADMP C[NH+](C)C1(C)CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000709797692 809970764 /nfs/dbraw/zinc/97/07/64/809970764.db2.gz SHTRIZLQJNCGJL-UHFFFAOYSA-N 2 1 262.397 2.095 20 0 CEADMP Cc1ccc([C@@H](O)C[NH+]2CCC(C)([NH+](C)C)CC2)cc1 ZINC000709828413 809971865 /nfs/dbraw/zinc/97/18/65/809971865.db2.gz MVSQVDHEBISBMW-INIZCTEOSA-N 2 1 276.424 2.445 20 0 CEADMP c1csc([C@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000710440667 809988071 /nfs/dbraw/zinc/98/80/71/809988071.db2.gz JGBVTRGZKIXKGR-STQMWFEESA-N 2 1 265.426 2.322 20 0 CEADMP Cn1nc(C[N@H+](C)CCCCCC[NH3+])cc1Cl ZINC000710830645 809995470 /nfs/dbraw/zinc/99/54/70/809995470.db2.gz CRZPEXIHFOKFGV-UHFFFAOYSA-N 2 1 258.797 2.024 20 0 CEADMP Cn1nc(C[N@@H+](C)CCCCCC[NH3+])cc1Cl ZINC000710830645 809995474 /nfs/dbraw/zinc/99/54/74/809995474.db2.gz CRZPEXIHFOKFGV-UHFFFAOYSA-N 2 1 258.797 2.024 20 0 CEADMP C[N@H+]1CC[C@@H]2CCN(CCOCC3CCCC3)[C@@H]2C1 ZINC000459401329 810036747 /nfs/dbraw/zinc/03/67/47/810036747.db2.gz NMINZXVFEULINM-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP CCc1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)o1 ZINC000923383587 810090417 /nfs/dbraw/zinc/09/04/17/810090417.db2.gz UITYJJJLLXCIAO-TUAOUCFPSA-N 2 1 251.374 2.042 20 0 CEADMP CCc1ncc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)o1 ZINC000923383587 810090422 /nfs/dbraw/zinc/09/04/22/810090422.db2.gz UITYJJJLLXCIAO-TUAOUCFPSA-N 2 1 251.374 2.042 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172231888 815344570 /nfs/dbraw/zinc/34/45/70/815344570.db2.gz CFONSRAMRGYUFB-HNSVSWJLSA-N 2 1 264.413 2.327 20 0 CEADMP Cc1cc([N@@H+](CCC[NH3+])C(C)C)ccc1N1CCOCC1 ZINC001164127207 810299111 /nfs/dbraw/zinc/29/91/11/810299111.db2.gz QEAQLKMVCWEDIT-UHFFFAOYSA-N 2 1 291.439 2.395 20 0 CEADMP Cc1cc([N@H+](CCC[NH3+])C(C)C)ccc1N1CCOCC1 ZINC001164127207 810299114 /nfs/dbraw/zinc/29/91/14/810299114.db2.gz QEAQLKMVCWEDIT-UHFFFAOYSA-N 2 1 291.439 2.395 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001172320061 815370192 /nfs/dbraw/zinc/37/01/92/815370192.db2.gz VDGWNTPWGWWJHT-YPMHNXCESA-N 2 1 253.390 2.459 20 0 CEADMP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001082783175 810399545 /nfs/dbraw/zinc/39/95/45/810399545.db2.gz FUMYECPVDITNPM-BZUAXINKSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001017208546 810498493 /nfs/dbraw/zinc/49/84/93/810498493.db2.gz IEIJAVPUBJULNW-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001017208546 810498496 /nfs/dbraw/zinc/49/84/96/810498496.db2.gz IEIJAVPUBJULNW-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001017208546 810498501 /nfs/dbraw/zinc/49/85/01/810498501.db2.gz IEIJAVPUBJULNW-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001017208548 810498930 /nfs/dbraw/zinc/49/89/30/810498930.db2.gz IEIJAVPUBJULNW-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001017208548 810498937 /nfs/dbraw/zinc/49/89/37/810498937.db2.gz IEIJAVPUBJULNW-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001017208548 810498944 /nfs/dbraw/zinc/49/89/44/810498944.db2.gz IEIJAVPUBJULNW-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP COc1ccc2[nH]cc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)c2c1 ZINC001206163924 815389103 /nfs/dbraw/zinc/38/91/03/815389103.db2.gz HXMKGAZQMOOKLU-CABCVRRESA-N 2 1 291.370 2.438 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H]1C(=O)OC ZINC001258908247 810717248 /nfs/dbraw/zinc/71/72/48/810717248.db2.gz TZUJIHHOWWTRRM-UONOGXRCSA-N 2 1 270.417 2.134 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]C ZINC001122239995 815395569 /nfs/dbraw/zinc/39/55/69/815395569.db2.gz MWJDIIZWSFEQRY-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+]C[C@H]2CCN2Cc2ccccc2)CC1 ZINC000716241104 810772529 /nfs/dbraw/zinc/77/25/29/810772529.db2.gz YFJXZSQYZSNLDE-QZTJIDSGSA-N 2 1 287.451 2.335 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001172351298 815400334 /nfs/dbraw/zinc/40/03/34/815400334.db2.gz CMJLVWKAZPMMJZ-KGLIPLIRSA-N 2 1 265.401 2.335 20 0 CEADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001172351298 815400336 /nfs/dbraw/zinc/40/03/36/815400336.db2.gz CMJLVWKAZPMMJZ-KGLIPLIRSA-N 2 1 265.401 2.335 20 0 CEADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172358358 815402057 /nfs/dbraw/zinc/40/20/57/815402057.db2.gz HDODZFWRGMNDBC-RQJABVFESA-N 2 1 270.417 2.071 20 0 CEADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001172359042 815402426 /nfs/dbraw/zinc/40/24/26/815402426.db2.gz HSQFBIRIBZHCPQ-YHUYYLMFSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001172359042 815402429 /nfs/dbraw/zinc/40/24/29/815402429.db2.gz HSQFBIRIBZHCPQ-YHUYYLMFSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001172359042 815402433 /nfs/dbraw/zinc/40/24/33/815402433.db2.gz HSQFBIRIBZHCPQ-YHUYYLMFSA-N 2 1 268.445 2.464 20 0 CEADMP CCOCC[C@@H](C)[N@H+](CCN)Cc1ccccc1 ZINC001172407090 815408118 /nfs/dbraw/zinc/40/81/18/815408118.db2.gz SFXRWRFLXYGEKF-CQSZACIVSA-N 2 1 250.386 2.262 20 0 CEADMP CCOCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001172416718 815413306 /nfs/dbraw/zinc/41/33/06/815413306.db2.gz PGKGDFLRROXKTM-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP CCOCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001172416718 815413312 /nfs/dbraw/zinc/41/33/12/815413312.db2.gz PGKGDFLRROXKTM-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H](CC(C)C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001172393292 815425761 /nfs/dbraw/zinc/42/57/61/815425761.db2.gz TYCQBDUCUJUZIO-HNNXBMFYSA-N 3 1 257.466 2.414 20 0 CEADMP CC[C@@H](CC(C)C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001172393292 815425765 /nfs/dbraw/zinc/42/57/65/815425765.db2.gz TYCQBDUCUJUZIO-HNNXBMFYSA-N 3 1 257.466 2.414 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cn3ccccc3n2)CCC[C@@H]1C[NH3+] ZINC001205991800 811229953 /nfs/dbraw/zinc/22/99/53/811229953.db2.gz CCGAXIRHLFQPOF-ZIAGYGMSSA-N 2 1 272.396 2.141 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC001168801333 811249234 /nfs/dbraw/zinc/24/92/34/811249234.db2.gz OWGNIBPLIMQKJM-GXTWGEPZSA-N 2 1 297.443 2.068 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168804068 811250543 /nfs/dbraw/zinc/25/05/43/811250543.db2.gz DBUVQDMZWRVXHS-KGLIPLIRSA-N 2 1 299.459 2.445 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205994102 811260587 /nfs/dbraw/zinc/26/05/87/811260587.db2.gz JFIXXHAPPKLOQT-ZYHUDNBSSA-N 2 1 253.415 2.258 20 0 CEADMP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001172442151 815438942 /nfs/dbraw/zinc/43/89/42/815438942.db2.gz SDWQJUGAXWTRIE-NVXWUHKLSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001172442151 815438946 /nfs/dbraw/zinc/43/89/46/815438946.db2.gz SDWQJUGAXWTRIE-NVXWUHKLSA-N 2 1 298.471 2.281 20 0 CEADMP Cn1c2ccccc2nc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169092815 811364065 /nfs/dbraw/zinc/36/40/65/811364065.db2.gz CRDVNHTZBJKUIC-QKDCVEJESA-N 2 1 298.434 2.331 20 0 CEADMP CCCCC(=O)[C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099594 811369406 /nfs/dbraw/zinc/36/94/06/811369406.db2.gz CFPIFDCXAYJYNE-FQUUOJAGSA-N 2 1 252.402 2.349 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1nc(C[NH3+])c3ccccc31)C2 ZINC001169089342 811379423 /nfs/dbraw/zinc/37/94/23/811379423.db2.gz BWGQYCFRIUHNPS-ITGUQSILSA-N 2 1 270.380 2.293 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCOC(C)(C)C)C2 ZINC001169116907 811382259 /nfs/dbraw/zinc/38/22/59/811382259.db2.gz SVYOYTUMSKKNEM-BTTYYORXSA-N 2 1 254.418 2.406 20 0 CEADMP CC(C)[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169092179 811382942 /nfs/dbraw/zinc/38/29/42/811382942.db2.gz ZJSCDMVYHMFZDZ-OSYLJGHBSA-N 3 1 279.472 2.322 20 0 CEADMP CC(C)[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC001169092179 811382948 /nfs/dbraw/zinc/38/29/48/811382948.db2.gz ZJSCDMVYHMFZDZ-OSYLJGHBSA-N 2 1 279.472 2.322 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@@H](CCC[NH3+])C1)C2 ZINC001169122810 811389591 /nfs/dbraw/zinc/38/95/91/811389591.db2.gz DVTPDLFMOIYBAT-NXOAAHMSSA-N 3 1 279.472 2.453 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@@H](CCC[NH3+])C1)C2 ZINC001169122810 811389602 /nfs/dbraw/zinc/38/96/02/811389602.db2.gz DVTPDLFMOIYBAT-NXOAAHMSSA-N 3 1 279.472 2.453 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@@H](CCC[NH3+])C1)C2 ZINC001169122810 811389616 /nfs/dbraw/zinc/38/96/16/811389616.db2.gz DVTPDLFMOIYBAT-NXOAAHMSSA-N 3 1 279.472 2.453 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@@H](CCC[NH3+])C1)C2 ZINC001169122810 811389623 /nfs/dbraw/zinc/38/96/23/811389623.db2.gz DVTPDLFMOIYBAT-NXOAAHMSSA-N 2 1 279.472 2.453 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@@H](CCC[NH3+])C1)C2 ZINC001169122810 811389634 /nfs/dbraw/zinc/38/96/34/811389634.db2.gz DVTPDLFMOIYBAT-NXOAAHMSSA-N 2 1 279.472 2.453 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3nccn3c1)C2 ZINC001169125224 811392074 /nfs/dbraw/zinc/39/20/74/811392074.db2.gz WPQMPYRSGHPBSF-QDMKHBRRSA-N 2 1 270.380 2.049 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3nccn3c1)C2 ZINC001169125224 811392082 /nfs/dbraw/zinc/39/20/82/811392082.db2.gz WPQMPYRSGHPBSF-QDMKHBRRSA-N 2 1 270.380 2.049 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH+]3CCCC3)CC1)C2 ZINC001169123344 811393432 /nfs/dbraw/zinc/39/34/32/811393432.db2.gz JPFSIKZLSUBPOS-BJWYYQGGSA-N 2 1 277.456 2.172 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCC[C@@]1(C)O ZINC001169125638 811394704 /nfs/dbraw/zinc/39/47/04/811394704.db2.gz KGWLFBNUMWABJL-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC[C@@]1(C)O ZINC001169125638 811394715 /nfs/dbraw/zinc/39/47/15/811394715.db2.gz KGWLFBNUMWABJL-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC[C@@]1(C)O ZINC001169125638 811394727 /nfs/dbraw/zinc/39/47/27/811394727.db2.gz KGWLFBNUMWABJL-RBGFHDKUSA-N 2 1 266.429 2.095 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169109544 811403494 /nfs/dbraw/zinc/40/34/94/811403494.db2.gz DBQGMQUODNWIKT-QCODTGAPSA-N 2 1 294.439 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]3(CC3(F)F)C1)C2 ZINC001169140784 811405406 /nfs/dbraw/zinc/40/54/06/811405406.db2.gz LZORVYQHNINVDC-MROQNXINSA-N 2 1 256.340 2.343 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(CC3(F)F)C1)C2 ZINC001169140784 811405409 /nfs/dbraw/zinc/40/54/09/811405409.db2.gz LZORVYQHNINVDC-MROQNXINSA-N 2 1 256.340 2.343 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(CC3(F)F)C1)C2 ZINC001169140784 811405411 /nfs/dbraw/zinc/40/54/11/811405411.db2.gz LZORVYQHNINVDC-MROQNXINSA-N 2 1 256.340 2.343 20 0 CEADMP C[N@@H+](C[C@@H]1CCCCO1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140723 811405531 /nfs/dbraw/zinc/40/55/31/811405531.db2.gz LPFMPSZJTDFPTE-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](C[C@@H]1CCCCO1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169140723 811405532 /nfs/dbraw/zinc/40/55/32/811405532.db2.gz LPFMPSZJTDFPTE-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](C[C@@H]1CCCCO1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140723 811405534 /nfs/dbraw/zinc/40/55/34/811405534.db2.gz LPFMPSZJTDFPTE-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(CC[NH3+])c3c[nH+]ccc31)C2 ZINC001169114923 811405764 /nfs/dbraw/zinc/40/57/64/811405764.db2.gz ZTZRKHFEKYRLNY-QDMKHBRRSA-N 3 1 284.407 2.335 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(CC[NH3+])c3cnccc31)C2 ZINC001169114923 811405769 /nfs/dbraw/zinc/40/57/69/811405769.db2.gz ZTZRKHFEKYRLNY-QDMKHBRRSA-N 2 1 284.407 2.335 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(CC[NH3+])c3cnccc31)C2 ZINC001169114923 811405773 /nfs/dbraw/zinc/40/57/73/811405773.db2.gz ZTZRKHFEKYRLNY-QDMKHBRRSA-N 2 1 284.407 2.335 20 0 CEADMP CCO[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169140976 811406924 /nfs/dbraw/zinc/40/69/24/811406924.db2.gz NJOPIFZHUBIAEC-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP CCO[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169140976 811406929 /nfs/dbraw/zinc/40/69/29/811406929.db2.gz NJOPIFZHUBIAEC-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP CCO[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169140976 811406935 /nfs/dbraw/zinc/40/69/35/811406935.db2.gz NJOPIFZHUBIAEC-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP Cn1ccc(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC001169152624 811415000 /nfs/dbraw/zinc/41/50/00/811415000.db2.gz CTOMBOYWBWMKNJ-MUJYYYPQSA-N 2 1 288.439 2.225 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]c3ccncc23)CCC[C@H]1C[NH3+] ZINC001206003949 811429070 /nfs/dbraw/zinc/42/90/70/811429070.db2.gz NXSHELDPJLJMND-STQMWFEESA-N 2 1 272.396 2.370 20 0 CEADMP C[C@H]1C[N@H+](Cc2cnc3cc[nH]cc2-3)CCC[C@H]1C[NH3+] ZINC001206003949 811429075 /nfs/dbraw/zinc/42/90/75/811429075.db2.gz NXSHELDPJLJMND-STQMWFEESA-N 2 1 272.396 2.370 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc3cc[nH]cc2-3)CCC[C@H]1C[NH3+] ZINC001206003949 811429080 /nfs/dbraw/zinc/42/90/80/811429080.db2.gz NXSHELDPJLJMND-STQMWFEESA-N 3 1 272.396 2.370 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2cnc3cc(C)ccn23)CC1 ZINC001169220903 811435081 /nfs/dbraw/zinc/43/50/81/811435081.db2.gz ZODVUECAHPPLMT-UHFFFAOYSA-N 2 1 272.396 2.217 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CC[C@H](COCC3CC3)C2)CC1 ZINC001169266646 811455468 /nfs/dbraw/zinc/45/54/68/811455468.db2.gz ZRHVGDQBXGQNJB-HNNXBMFYSA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+]1CCC([N@H+]2CC[C@H](COCC3CC3)C2)CC1 ZINC001169266646 811455473 /nfs/dbraw/zinc/45/54/73/811455473.db2.gz ZRHVGDQBXGQNJB-HNNXBMFYSA-N 2 1 266.429 2.219 20 0 CEADMP CCN1CCC([NH2+]CC2CC[NH+](CC(C)C)CC2)CC1 ZINC001169239260 811457349 /nfs/dbraw/zinc/45/73/49/811457349.db2.gz VHYKQBAYLLCFQL-UHFFFAOYSA-N 2 1 281.488 2.428 20 0 CEADMP CCN1CCC([N@H+]2CCCN(c3ccccn3)CC2)CC1 ZINC001169245673 811460828 /nfs/dbraw/zinc/46/08/28/811460828.db2.gz HDYKICGFFPHODD-UHFFFAOYSA-N 2 1 288.439 2.078 20 0 CEADMP CC[NH+]1CCC(N2CCCN(c3ccccn3)CC2)CC1 ZINC001169245673 811460834 /nfs/dbraw/zinc/46/08/34/811460834.db2.gz HDYKICGFFPHODD-UHFFFAOYSA-N 2 1 288.439 2.078 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CCCN(c3ccccn3)CC2)CC1 ZINC001169245673 811460840 /nfs/dbraw/zinc/46/08/40/811460840.db2.gz HDYKICGFFPHODD-UHFFFAOYSA-N 2 1 288.439 2.078 20 0 CEADMP CC[NH+]1CCC([N@H+]2CCCN(c3ccccn3)CC2)CC1 ZINC001169245673 811460848 /nfs/dbraw/zinc/46/08/48/811460848.db2.gz HDYKICGFFPHODD-UHFFFAOYSA-N 2 1 288.439 2.078 20 0 CEADMP CCN1CCC([N@@H+]2CCC[C@H](c3noc(C)n3)C2)CC1 ZINC001169245514 811461249 /nfs/dbraw/zinc/46/12/49/811461249.db2.gz GMTQHCJJGJFFRJ-ZDUSSCGKSA-N 2 1 278.400 2.042 20 0 CEADMP CCN1CCC([N@H+]2CCC[C@H](c3noc(C)n3)C2)CC1 ZINC001169245514 811461254 /nfs/dbraw/zinc/46/12/54/811461254.db2.gz GMTQHCJJGJFFRJ-ZDUSSCGKSA-N 2 1 278.400 2.042 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC001169258926 811468074 /nfs/dbraw/zinc/46/80/74/811468074.db2.gz USIRECFXMDIAGB-OAHLLOKOSA-N 2 1 259.397 2.355 20 0 CEADMP CC[NH+]1CCC([N@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC001169258926 811468078 /nfs/dbraw/zinc/46/80/78/811468078.db2.gz USIRECFXMDIAGB-OAHLLOKOSA-N 2 1 259.397 2.355 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001169455868 811518306 /nfs/dbraw/zinc/51/83/06/811518306.db2.gz DTNSJXIJGBJTAA-PMPSAXMXSA-N 2 1 297.487 2.342 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]C(C)C ZINC001045104010 811575073 /nfs/dbraw/zinc/57/50/73/811575073.db2.gz UFEHGRVHXRZYEY-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)nc2F)CCC[C@H]1C[NH3+] ZINC001206013092 811576485 /nfs/dbraw/zinc/57/64/85/811576485.db2.gz PEURIYXKWIQYHW-OLZOCXBDSA-N 2 1 294.418 2.094 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(OC)c1C ZINC001206165895 815459527 /nfs/dbraw/zinc/45/95/27/815459527.db2.gz PREXUGJTESUUCX-KGLIPLIRSA-N 2 1 296.386 2.273 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(OC)c1C ZINC001206165895 815459529 /nfs/dbraw/zinc/45/95/29/815459529.db2.gz PREXUGJTESUUCX-KGLIPLIRSA-N 2 1 296.386 2.273 20 0 CEADMP CCOC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001169649907 811605001 /nfs/dbraw/zinc/60/50/01/811605001.db2.gz UVTUVBHOGQCKHV-CABCVRRESA-N 2 1 297.443 2.071 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)CCC[C@H]1C[NH3+] ZINC001206014833 811605046 /nfs/dbraw/zinc/60/50/46/811605046.db2.gz YGRXRWYVTKVTRC-JSGCOSHPSA-N 3 1 293.480 2.201 20 0 CEADMP Cc1c[nH]c2nc(NC(C)(C)CC[NH+](C)C)[nH+]cc12 ZINC001169710916 811637017 /nfs/dbraw/zinc/63/70/17/811637017.db2.gz AJHQBGMWWGADMD-UHFFFAOYSA-N 2 1 261.373 2.360 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC3(C1)OCCO3)C2 ZINC001169914147 811711454 /nfs/dbraw/zinc/71/14/54/811711454.db2.gz OQOKBSQPZLSVIN-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC3(C1)OCCO3)C2 ZINC001169914147 811711457 /nfs/dbraw/zinc/71/14/57/811711457.db2.gz OQOKBSQPZLSVIN-LVQVYYBASA-N 2 1 294.439 2.277 20 0 CEADMP CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001108717331 811756332 /nfs/dbraw/zinc/75/63/32/811756332.db2.gz ICQPUTWAEFXHRM-KKUMJFAQSA-N 2 1 295.471 2.096 20 0 CEADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC001172611124 815473428 /nfs/dbraw/zinc/47/34/28/815473428.db2.gz LRWMRAHNQQWPML-HOCLYGCPSA-N 2 1 294.439 2.278 20 0 CEADMP CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108804755 811769500 /nfs/dbraw/zinc/76/95/00/811769500.db2.gz XJQZHJJLZGFIOP-JYJNAYRXSA-N 2 1 295.471 2.097 20 0 CEADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](C)CCC[NH+]2CCCC2)C1 ZINC001172616528 815475932 /nfs/dbraw/zinc/47/59/32/815475932.db2.gz MSANLVMEPPSQML-GJZGRUSLSA-N 2 1 282.428 2.136 20 0 CEADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C)[NH+](C)C ZINC001109443970 811889931 /nfs/dbraw/zinc/88/99/31/811889931.db2.gz MYQJTQLJXUZGPO-QXSJWSMHSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653952 811923871 /nfs/dbraw/zinc/92/38/71/811923871.db2.gz OQPHHQFLCMSPFS-PMPSAXMXSA-N 2 1 293.455 2.016 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001172792640 815524185 /nfs/dbraw/zinc/52/41/85/815524185.db2.gz QIXVNDWAKMEDDW-KFWWJZLASA-N 2 1 282.428 2.182 20 0 CEADMP CC[C@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CCO1 ZINC001170237569 812351494 /nfs/dbraw/zinc/35/14/94/812351494.db2.gz XBIRKRHBCJAQPB-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172807453 815526343 /nfs/dbraw/zinc/52/63/43/815526343.db2.gz NHRLDJFFXRUOGU-HUUCEWRRSA-N 2 1 284.444 2.382 20 0 CEADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001170410712 812408091 /nfs/dbraw/zinc/40/80/91/812408091.db2.gz GKBWFTHUGMUEPX-CABCVRRESA-N 2 1 290.407 2.278 20 0 CEADMP Cc1cc2c(cn1)[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)CC2 ZINC001254511273 812424379 /nfs/dbraw/zinc/42/43/79/812424379.db2.gz YBRPOLUNWGOSLQ-HOCLYGCPSA-N 2 1 259.397 2.451 20 0 CEADMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)CC1 ZINC001254509414 812426875 /nfs/dbraw/zinc/42/68/75/812426875.db2.gz GDWGVJNNWMCXHQ-LBPRGKRZSA-N 2 1 290.333 2.019 20 0 CEADMP C[N@H+]1CCC[C@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)CC1 ZINC001254509414 812426880 /nfs/dbraw/zinc/42/68/80/812426880.db2.gz GDWGVJNNWMCXHQ-LBPRGKRZSA-N 2 1 290.333 2.019 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CCCC[C@H]2C[NH+]2CCCC2)CC1 ZINC001254524527 812439691 /nfs/dbraw/zinc/43/96/91/812439691.db2.gz XFWFMSLATSEBCU-SJORKVTESA-N 2 1 279.472 2.421 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052820604 812464882 /nfs/dbraw/zinc/46/48/82/812464882.db2.gz QYSWGEMFXHTKMC-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](C(C)C)CC1 ZINC001052956543 812478679 /nfs/dbraw/zinc/47/86/79/812478679.db2.gz UQAPANOWULWZOT-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC001052956543 812478681 /nfs/dbraw/zinc/47/86/81/812478681.db2.gz UQAPANOWULWZOT-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](C(C)C)CC1 ZINC001052956543 812478684 /nfs/dbraw/zinc/47/86/84/812478684.db2.gz UQAPANOWULWZOT-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)=CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129417463 812492575 /nfs/dbraw/zinc/49/25/75/812492575.db2.gz OMVOEXRUISFZMS-MRXNPFEDSA-N 2 1 293.455 2.065 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129421530 812493041 /nfs/dbraw/zinc/49/30/41/812493041.db2.gz ABTFOFWMDHHVAZ-MRXNPFEDSA-N 2 1 297.487 2.391 20 0 CEADMP CC[C@H](C)C[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129422340 812493279 /nfs/dbraw/zinc/49/32/79/812493279.db2.gz HNFJWMUIUTUGQE-GJZGRUSLSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132249140 812810404 /nfs/dbraw/zinc/81/04/04/812810404.db2.gz MDTPGJCNVGDXNU-CVEARBPZSA-N 2 1 295.471 2.264 20 0 CEADMP CCCC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132269418 812816122 /nfs/dbraw/zinc/81/61/22/812816122.db2.gz JTNGVYYYIQGIIK-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CCC(C)C)C1 ZINC001132409698 812844535 /nfs/dbraw/zinc/84/45/35/812844535.db2.gz CYTMLKYRKWVJKC-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC(C)C)C1 ZINC001132409698 812844546 /nfs/dbraw/zinc/84/45/46/812844546.db2.gz CYTMLKYRKWVJKC-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC(C)C)C1 ZINC001132409698 812844553 /nfs/dbraw/zinc/84/45/53/812844553.db2.gz CYTMLKYRKWVJKC-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]CCC(C)(C)C)C1 ZINC001132738033 812935653 /nfs/dbraw/zinc/93/56/53/812935653.db2.gz UGCCWFNJIXPWIF-HNNXBMFYSA-N 2 1 297.487 2.250 20 0 CEADMP CCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133230291 813014147 /nfs/dbraw/zinc/01/41/47/813014147.db2.gz VAYQBSFPKYMSPB-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001133823623 813160429 /nfs/dbraw/zinc/16/04/29/813160429.db2.gz KRHDZQIXEVETEZ-OAHLLOKOSA-N 2 1 293.455 2.067 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001255480085 813305598 /nfs/dbraw/zinc/30/55/98/813305598.db2.gz ADQHEOAUCPKTJV-INIZCTEOSA-N 2 1 265.445 2.031 20 0 CEADMP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135007235 813351962 /nfs/dbraw/zinc/35/19/62/813351962.db2.gz GFPRWJCRFIQOMH-UONOGXRCSA-N 2 1 292.427 2.031 20 0 CEADMP [NH3+]CCC[C@@H]1CCCC[N@H+]([C@H]2CCCOCC2)C1 ZINC001170803402 813387252 /nfs/dbraw/zinc/38/72/52/813387252.db2.gz INVUCVSDUHXHEN-GJZGRUSLSA-N 2 1 254.418 2.397 20 0 CEADMP C[N@@H+](CCNC(=O)CC[NH2+]C(C)(C)C)Cc1ccccc1 ZINC000395746315 813538877 /nfs/dbraw/zinc/53/88/77/813538877.db2.gz XQKJGSFOFQEOQQ-UHFFFAOYSA-N 2 1 291.439 2.013 20 0 CEADMP [NH3+]CC1([NH2+][C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170867175 813564120 /nfs/dbraw/zinc/56/41/20/813564120.db2.gz GTFKLKYJKCADMN-CYBMUJFWSA-N 2 1 295.224 2.387 20 0 CEADMP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995156 813582191 /nfs/dbraw/zinc/58/21/91/813582191.db2.gz ACAGNMLEGRFLPR-HUUCEWRRSA-N 2 1 285.476 2.391 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2COc3ccccc3O2)C[C@@H]1C[NH3+] ZINC000397276468 813610001 /nfs/dbraw/zinc/61/00/01/813610001.db2.gz PJXQETHZKBKLBN-QPSCCSFWSA-N 2 1 290.407 2.132 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnn1C ZINC000398038048 813653274 /nfs/dbraw/zinc/65/32/74/813653274.db2.gz QQLAFYHHZRHGEW-QAPCUYQASA-N 2 1 298.434 2.420 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnn1C ZINC000398038048 813653279 /nfs/dbraw/zinc/65/32/79/813653279.db2.gz QQLAFYHHZRHGEW-QAPCUYQASA-N 2 1 298.434 2.420 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC001246022142 813662622 /nfs/dbraw/zinc/66/26/22/813662622.db2.gz OWPOLDOXZGESKC-JKSUJKDBSA-N 2 1 262.397 2.171 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170949531 813674523 /nfs/dbraw/zinc/67/45/23/813674523.db2.gz OTVASMCQIAAQRB-GXTWGEPZSA-N 2 1 262.372 2.224 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246097952 813686986 /nfs/dbraw/zinc/68/69/86/813686986.db2.gz QBGWTXLKHXYYRJ-BARDWOONSA-N 3 1 253.434 2.027 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001246109613 813702342 /nfs/dbraw/zinc/70/23/42/813702342.db2.gz KIEMWCXEAIJRHI-KGLIPLIRSA-N 3 1 267.461 2.227 20 0 CEADMP CCCCCC[C@@H](CC)[NH2+][C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246133389 813711000 /nfs/dbraw/zinc/71/10/00/813711000.db2.gz IRDHZUFOAKWPPH-KBUPBQIOSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@H]1CC[C@H]([NH2+][C@H](CO)CC2CCCCC2)C[NH2+]1 ZINC001246228080 813739014 /nfs/dbraw/zinc/73/90/14/813739014.db2.gz DGCCITWBXMDUJK-QEJZJMRPSA-N 2 1 254.418 2.048 20 0 CEADMP CC(C)(C)C(=O)N1CCC(CC[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246254391 813753791 /nfs/dbraw/zinc/75/37/91/813753791.db2.gz HJIBTTLMTLFTLF-OAHLLOKOSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@]1([NH3+])CCC[N@H+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001246548539 814000260 /nfs/dbraw/zinc/00/02/60/814000260.db2.gz GWMNDHANEQYMSJ-RISCZKNCSA-N 2 1 265.426 2.204 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC[NH2+]1 ZINC001246550346 814002439 /nfs/dbraw/zinc/00/24/39/814002439.db2.gz OELATIJHORIGBK-IJEWVQPXSA-N 3 1 285.451 2.306 20 0 CEADMP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246553750 814019098 /nfs/dbraw/zinc/01/90/98/814019098.db2.gz UKTYNBPNKCXZOH-DGADGQDISA-N 3 1 267.461 2.212 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246553750 814019104 /nfs/dbraw/zinc/01/91/04/814019104.db2.gz UKTYNBPNKCXZOH-DGADGQDISA-N 3 1 267.461 2.212 20 0 CEADMP CO[C@@H]1CCC[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC001246563169 814051781 /nfs/dbraw/zinc/05/17/81/814051781.db2.gz PBRRAIJHKBQESF-APIJFGDWSA-N 2 1 254.418 2.251 20 0 CEADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246567978 814071965 /nfs/dbraw/zinc/07/19/65/814071965.db2.gz NIUZNOAVZITZOL-JKSUJKDBSA-N 3 1 281.488 2.414 20 0 CEADMP CC(C)CN1CCC([N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246567978 814071972 /nfs/dbraw/zinc/07/19/72/814071972.db2.gz NIUZNOAVZITZOL-JKSUJKDBSA-N 2 1 281.488 2.414 20 0 CEADMP CC(C)CN1CCC([N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246567978 814071976 /nfs/dbraw/zinc/07/19/76/814071976.db2.gz NIUZNOAVZITZOL-JKSUJKDBSA-N 2 1 281.488 2.414 20 0 CEADMP CCCCOC(=O)CC[C@H](C)[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001246575878 814120307 /nfs/dbraw/zinc/12/03/07/814120307.db2.gz XVKYXTRICMMEHS-KBPBESRZSA-N 2 1 270.417 2.182 20 0 CEADMP CCCCOC(=O)CC[C@H](C)[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001246575878 814120312 /nfs/dbraw/zinc/12/03/12/814120312.db2.gz XVKYXTRICMMEHS-KBPBESRZSA-N 2 1 270.417 2.182 20 0 CEADMP CCC/C=C/CC[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171219495 814176688 /nfs/dbraw/zinc/17/66/88/814176688.db2.gz XZZOZGJTJSRIHJ-SQRWCISFSA-N 2 1 295.471 2.171 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CCC)C1 ZINC001100765188 814183221 /nfs/dbraw/zinc/18/32/21/814183221.db2.gz XFHWSEUXWAMVFO-UHFFFAOYSA-N 2 1 297.487 2.393 20 0 CEADMP CC(C)OC1CCC([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246592908 814184243 /nfs/dbraw/zinc/18/42/43/814184243.db2.gz WEBLVOVYYBRZDE-PFSRBDOWSA-N 2 1 272.408 2.484 20 0 CEADMP CC(C)OC1CCC([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246592908 814184248 /nfs/dbraw/zinc/18/42/48/814184248.db2.gz WEBLVOVYYBRZDE-PFSRBDOWSA-N 2 1 272.408 2.484 20 0 CEADMP C[NH2+]CC1C[NH+]([C@@H](C)CCc2ccc(OC)cc2)C1 ZINC001246597592 814195047 /nfs/dbraw/zinc/19/50/47/814195047.db2.gz NOZXNAZAWIAYCL-ZDUSSCGKSA-N 2 1 262.397 2.168 20 0 CEADMP CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001100980679 814211979 /nfs/dbraw/zinc/21/19/79/814211979.db2.gz BDXZNGLEVAEMNT-PCKAHOCUSA-N 2 1 295.471 2.003 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171261646 814242945 /nfs/dbraw/zinc/24/29/45/814242945.db2.gz XNUXFDMGNZLPPD-AWEZNQCLSA-N 2 1 283.460 2.145 20 0 CEADMP COc1ccccc1CC[N@@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246813948 814266230 /nfs/dbraw/zinc/26/62/30/814266230.db2.gz MYXWIYIOWUXEIY-ZFWWWQNUSA-N 2 1 262.397 2.310 20 0 CEADMP CCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377104 814384788 /nfs/dbraw/zinc/38/47/88/814384788.db2.gz OIRVJYOTJMWRRA-HUUCEWRRSA-N 2 1 297.487 2.058 20 0 CEADMP CCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377104 814384797 /nfs/dbraw/zinc/38/47/97/814384797.db2.gz OIRVJYOTJMWRRA-HUUCEWRRSA-N 2 1 297.487 2.058 20 0 CEADMP CCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377104 814384804 /nfs/dbraw/zinc/38/48/04/814384804.db2.gz OIRVJYOTJMWRRA-HUUCEWRRSA-N 2 1 297.487 2.058 20 0 CEADMP CCCCC[C@H](CCC)[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246993228 814509755 /nfs/dbraw/zinc/50/97/55/814509755.db2.gz YXUABPSVNXDNBY-UONOGXRCSA-N 2 1 254.418 2.395 20 0 CEADMP CCCCC[C@H](CCC)[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246993228 814509765 /nfs/dbraw/zinc/50/97/65/814509765.db2.gz YXUABPSVNXDNBY-UONOGXRCSA-N 2 1 254.418 2.395 20 0 CEADMP CCCC[C@@H](CC)[N@H+]1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001247008619 814519488 /nfs/dbraw/zinc/51/94/88/814519488.db2.gz NNCCVDBMDABDEJ-HUUCEWRRSA-N 2 1 296.455 2.430 20 0 CEADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(Cl)nn1)CC2 ZINC000691939185 814601273 /nfs/dbraw/zinc/60/12/73/814601273.db2.gz SGGAFBUAHTYNRS-UHFFFAOYSA-N 2 1 294.830 2.438 20 0 CEADMP CC[NH+](CC)C1CCC([NH2+]C2(C(=O)OC)CCC2)CC1 ZINC001173105032 815581589 /nfs/dbraw/zinc/58/15/89/815581589.db2.gz OJMUBMCYXKVBSY-UHFFFAOYSA-N 2 1 282.428 2.325 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@](C)(CO)C2)CC1 ZINC001173110824 815582054 /nfs/dbraw/zinc/58/20/54/815582054.db2.gz YZZIXBXZJWEYJI-UYSNPLJNSA-N 2 1 268.445 2.344 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H](C)C[C@H]2CO)CC1 ZINC001173110330 815582711 /nfs/dbraw/zinc/58/27/11/815582711.db2.gz RQCFNIJZIISWJQ-LBDPXKHJSA-N 2 1 268.445 2.342 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H](O)CC[C@H]2C)CC1 ZINC001173110340 815582940 /nfs/dbraw/zinc/58/29/40/815582940.db2.gz RTTMTGNANBFFLG-PRLABOORSA-N 2 1 268.445 2.485 20 0 CEADMP CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579662 814723556 /nfs/dbraw/zinc/72/35/56/814723556.db2.gz ZTRRKUSEIULTCL-OAHLLOKOSA-N 2 1 295.471 2.289 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)CC[C@H]1[NH3+] ZINC000712412462 814742608 /nfs/dbraw/zinc/74/26/08/814742608.db2.gz BOAGSVVNKAGLSY-HZSPNIEDSA-N 2 1 252.402 2.147 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCOC(F)(F)F ZINC000713413660 814852107 /nfs/dbraw/zinc/85/21/07/814852107.db2.gz QLEBHDGDNGEAEA-UHFFFAOYSA-N 2 1 268.323 2.377 20 0 CEADMP FC(F)(F)OCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000713413159 814852356 /nfs/dbraw/zinc/85/23/56/814852356.db2.gz ZMRWPWCVSQTKHD-RYUDHWBXSA-N 2 1 280.334 2.377 20 0 CEADMP FC(F)(F)OCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000713413159 814852364 /nfs/dbraw/zinc/85/23/64/814852364.db2.gz ZMRWPWCVSQTKHD-RYUDHWBXSA-N 2 1 280.334 2.377 20 0 CEADMP FC(F)(F)OCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000713413161 814852500 /nfs/dbraw/zinc/85/25/00/814852500.db2.gz ZMRWPWCVSQTKHD-VXGBXAGGSA-N 2 1 280.334 2.377 20 0 CEADMP FC(F)(F)OCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000713413161 814852505 /nfs/dbraw/zinc/85/25/05/814852505.db2.gz ZMRWPWCVSQTKHD-VXGBXAGGSA-N 2 1 280.334 2.377 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H]1CCC(C)(C)CO1 ZINC000713595467 814866166 /nfs/dbraw/zinc/86/61/66/814866166.db2.gz GHNVVUWJKQMAHK-BFHYXJOUSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@H]1CCC(C)(C)CO1 ZINC000713595467 814866171 /nfs/dbraw/zinc/86/61/71/814866171.db2.gz GHNVVUWJKQMAHK-BFHYXJOUSA-N 2 1 254.418 2.393 20 0 CEADMP CC(C)(C[NH3+])C1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000714397306 814903367 /nfs/dbraw/zinc/90/33/67/814903367.db2.gz UWTWGMHKYVJZMN-UHFFFAOYSA-N 2 1 276.428 2.415 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](C2CCC(Oc3ccccc3)CC2)CCO1 ZINC001173198010 815618693 /nfs/dbraw/zinc/61/86/93/815618693.db2.gz MQYXJMMBSUOZLC-PREGVCBESA-N 2 1 290.407 2.036 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](C2CCC(Oc3ccccc3)CC2)CCO1 ZINC001173198010 815618697 /nfs/dbraw/zinc/61/86/97/815618697.db2.gz MQYXJMMBSUOZLC-PREGVCBESA-N 2 1 290.407 2.036 20 0 CEADMP CCCC[C@H](CC(C)C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001173252633 815640111 /nfs/dbraw/zinc/64/01/11/815640111.db2.gz KLHDPUUJHHRIPZ-MRXNPFEDSA-N 2 1 297.487 2.345 20 0 CEADMP CCc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+](C)CCO)cc1 ZINC001173251756 815640192 /nfs/dbraw/zinc/64/01/92/815640192.db2.gz DCKQRUIRFPXPJZ-OAHLLOKOSA-N 2 1 278.440 2.084 20 0 CEADMP NCC[N@@H+](CCO)[C@H]1CCCC2(CCCCC2)C1 ZINC001173339863 815682039 /nfs/dbraw/zinc/68/20/39/815682039.db2.gz QWPSEABBDAPPHF-AWEZNQCLSA-N 2 1 254.418 2.133 20 0 CEADMP [NH3+]CC[N@H+](CCO)[C@H]1CCCC2(CCCCC2)C1 ZINC001173339863 815682043 /nfs/dbraw/zinc/68/20/43/815682043.db2.gz QWPSEABBDAPPHF-AWEZNQCLSA-N 2 1 254.418 2.133 20 0 CEADMP CC[N@H+]1CC[C@H](N(C(N)=[NH2+])c2ccc(Cl)cc2)C1 ZINC001173353430 815687301 /nfs/dbraw/zinc/68/73/01/815687301.db2.gz CSLNFQNZAOOXJV-LBPRGKRZSA-N 2 1 266.776 2.134 20 0 CEADMP CC[N@H+]1CC[C@H](N(Cc2ccccc2)C[C@H](C)C[NH3+])C1 ZINC001173354224 815694865 /nfs/dbraw/zinc/69/48/65/815694865.db2.gz XZXWCWJPWPIXDJ-WBVHZDCISA-N 2 1 275.440 2.178 20 0 CEADMP CC[N@H+]1CC[C@H](n2ccc3cc(N4CC[NH2+]CC4)ccc32)C1 ZINC001173369493 815707427 /nfs/dbraw/zinc/70/74/27/815707427.db2.gz WVSLICHQCKPNBR-KRWDZBQOSA-N 2 1 298.434 2.318 20 0 CEADMP CC[N@H+]1CC[C@H](N(c2cccc(C)n2)C2CC[NH2+]CC2)C1 ZINC001173375799 815709545 /nfs/dbraw/zinc/70/95/45/815709545.db2.gz XPHYYGFVNGZMDK-INIZCTEOSA-N 2 1 288.439 2.043 20 0 CEADMP CSc1ncc(C)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206209086 815789718 /nfs/dbraw/zinc/78/97/18/815789718.db2.gz BCIFNHLBXWYYOI-CHWSQXEVSA-N 2 1 283.416 2.373 20 0 CEADMP CSc1ncc(C)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206209086 815789723 /nfs/dbraw/zinc/78/97/23/815789723.db2.gz BCIFNHLBXWYYOI-CHWSQXEVSA-N 2 1 283.416 2.373 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2cccc3c2CCC3)CC[C@H]1F ZINC001206212016 815802952 /nfs/dbraw/zinc/80/29/52/815802952.db2.gz RBQXMRUVWOMPNJ-CVEARBPZSA-N 2 1 262.372 2.437 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc3c2CCC3)CC[C@H]1F ZINC001206212016 815802960 /nfs/dbraw/zinc/80/29/60/815802960.db2.gz RBQXMRUVWOMPNJ-CVEARBPZSA-N 2 1 262.372 2.437 20 0 CEADMP COC(=O)c1ccc(C[C@H](C)[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001173726852 815818037 /nfs/dbraw/zinc/81/80/37/815818037.db2.gz YREGGYIIEPLKNI-AWEZNQCLSA-N 2 1 292.423 2.288 20 0 CEADMP COCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138543833 815822334 /nfs/dbraw/zinc/82/23/34/815822334.db2.gz WHAOYOXWHNUIFC-UHFFFAOYSA-N 2 1 259.353 2.259 20 0 CEADMP COCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138543833 815822342 /nfs/dbraw/zinc/82/23/42/815822342.db2.gz WHAOYOXWHNUIFC-UHFFFAOYSA-N 2 1 259.353 2.259 20 0 CEADMP CCn1nc(C)c(C[N@@H+](CC)CCn2ccnc2)c1C ZINC001138645675 815859353 /nfs/dbraw/zinc/85/93/53/815859353.db2.gz QTTFCRHCWSDFJK-UHFFFAOYSA-N 2 1 275.400 2.238 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001138769006 815891645 /nfs/dbraw/zinc/89/16/45/815891645.db2.gz HOSHJZHPUYYVOC-XIRDDKMYSA-N 2 1 292.398 2.417 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001138769006 815891652 /nfs/dbraw/zinc/89/16/52/815891652.db2.gz HOSHJZHPUYYVOC-XIRDDKMYSA-N 2 1 292.398 2.417 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCCO)cc1 ZINC001138802468 815905724 /nfs/dbraw/zinc/90/57/24/815905724.db2.gz AYSFHFZDBUFXJK-UHFFFAOYSA-N 2 1 294.439 2.221 20 0 CEADMP Nc1c[nH+]cn1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174395432 815978200 /nfs/dbraw/zinc/97/82/00/815978200.db2.gz YYSZDSSIPGMFLV-UHFFFAOYSA-N 2 1 254.337 2.212 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(Cc3c[nH]c(-c4ccccc4)n3)C[C@@H]2C1 ZINC001139554407 816045206 /nfs/dbraw/zinc/04/52/06/816045206.db2.gz KBUJVPRPHRIDGY-CVEARBPZSA-N 2 1 296.418 2.460 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c(-c4ccccc4)n3)C[C@@H]2C1 ZINC001139554407 816045213 /nfs/dbraw/zinc/04/52/13/816045213.db2.gz KBUJVPRPHRIDGY-CVEARBPZSA-N 2 1 296.418 2.460 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c(-c4ccccc4)n3)C[C@@H]2C1 ZINC001139554407 816045221 /nfs/dbraw/zinc/04/52/21/816045221.db2.gz KBUJVPRPHRIDGY-CVEARBPZSA-N 2 1 296.418 2.460 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c[nH]c(-c4ccccc4)n3)C[C@@H]2C1 ZINC001139554407 816045228 /nfs/dbraw/zinc/04/52/28/816045228.db2.gz KBUJVPRPHRIDGY-CVEARBPZSA-N 2 1 296.418 2.460 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)C[C@@H]2C1 ZINC001139554407 816045235 /nfs/dbraw/zinc/04/52/35/816045235.db2.gz KBUJVPRPHRIDGY-CVEARBPZSA-N 2 1 296.418 2.460 20 0 CEADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cccnn1 ZINC001139972265 816153283 /nfs/dbraw/zinc/15/32/83/816153283.db2.gz ORRNVDLVWZAIGA-HOTGVXAUSA-N 2 1 274.412 2.315 20 0 CEADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cccnn1 ZINC001139972266 816153391 /nfs/dbraw/zinc/15/33/91/816153391.db2.gz ORRNVDLVWZAIGA-JKSUJKDBSA-N 2 1 274.412 2.315 20 0 CEADMP COc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc1C ZINC001140157982 816202384 /nfs/dbraw/zinc/20/23/84/816202384.db2.gz QAHJECFWAWSMLQ-CVEARBPZSA-N 2 1 274.408 2.387 20 0 CEADMP COc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)ccc1C ZINC001140157982 816202390 /nfs/dbraw/zinc/20/23/90/816202390.db2.gz QAHJECFWAWSMLQ-CVEARBPZSA-N 2 1 274.408 2.387 20 0 CEADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1O ZINC001140578389 816288135 /nfs/dbraw/zinc/28/81/35/816288135.db2.gz SOLZLEGTAXBFAI-INIZCTEOSA-N 2 1 260.381 2.228 20 0 CEADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1O ZINC001140578389 816288143 /nfs/dbraw/zinc/28/81/43/816288143.db2.gz SOLZLEGTAXBFAI-INIZCTEOSA-N 2 1 260.381 2.228 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1O ZINC001140578389 816288147 /nfs/dbraw/zinc/28/81/47/816288147.db2.gz SOLZLEGTAXBFAI-INIZCTEOSA-N 2 1 260.381 2.228 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1O ZINC001140578389 816288151 /nfs/dbraw/zinc/28/81/51/816288151.db2.gz SOLZLEGTAXBFAI-INIZCTEOSA-N 2 1 260.381 2.228 20 0 CEADMP Cc1cc(F)ccc1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001140782213 816355295 /nfs/dbraw/zinc/35/52/95/816355295.db2.gz NHXKQRGZNHIKCO-UHFFFAOYSA-N 2 1 293.430 2.203 20 0 CEADMP O=C1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4ccncc34)C[C@@H]12 ZINC001140806297 816365474 /nfs/dbraw/zinc/36/54/74/816365474.db2.gz FNTRCWYEEXIQDI-BXUZGUMPSA-N 2 1 269.348 2.364 20 0 CEADMP O=C1CCC[C@@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@@H]12 ZINC001140806297 816365501 /nfs/dbraw/zinc/36/55/01/816365501.db2.gz FNTRCWYEEXIQDI-BXUZGUMPSA-N 2 1 269.348 2.364 20 0 CEADMP O=C1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@@H]12 ZINC001140806297 816365510 /nfs/dbraw/zinc/36/55/10/816365510.db2.gz FNTRCWYEEXIQDI-BXUZGUMPSA-N 2 1 269.348 2.364 20 0 CEADMP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563614 816441002 /nfs/dbraw/zinc/44/10/02/816441002.db2.gz GFMSJBIVMJRFNM-HOTGVXAUSA-N 2 1 297.487 2.249 20 0 CEADMP Cc1ccncc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001141037371 816455367 /nfs/dbraw/zinc/45/53/67/816455367.db2.gz RPSHFYWLWPVEBO-UHFFFAOYSA-N 2 1 282.391 2.416 20 0 CEADMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CC)CC1)[NH+](CC)CC ZINC001161214282 816569000 /nfs/dbraw/zinc/56/90/00/816569000.db2.gz XNQCPHYYGGZSLL-MRXNPFEDSA-N 2 1 295.471 2.265 20 0 CEADMP CC(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045657 816663147 /nfs/dbraw/zinc/66/31/47/816663147.db2.gz RAIDAGOVOQBYQX-HNNXBMFYSA-N 2 1 283.460 2.003 20 0 CEADMP C[NH+]1CC2(C1)CC[NH+](Cc1cccc3nc[nH]c31)CC2 ZINC001142692359 816712646 /nfs/dbraw/zinc/71/26/46/816712646.db2.gz AKOBNFJAALITGC-UHFFFAOYSA-N 2 1 270.380 2.091 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]C(C)C)CC[N@H+]1C ZINC001178527890 816758582 /nfs/dbraw/zinc/75/85/82/816758582.db2.gz PWWYHDIIOTULPS-JKSUJKDBSA-N 2 1 297.487 2.391 20 0 CEADMP C[NH+]1CCC2(C[NH+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC001204228512 816798670 /nfs/dbraw/zinc/79/86/70/816798670.db2.gz SFAVJYJCDLYVCN-UHFFFAOYSA-N 2 1 266.335 2.492 20 0 CEADMP CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580395 816884756 /nfs/dbraw/zinc/88/47/56/816884756.db2.gz FIPFFMJJKMDZCS-OAHLLOKOSA-N 2 1 283.460 2.147 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000337409878 214064377 /nfs/dbraw/zinc/06/43/77/214064377.db2.gz VLTYVHKJCOZDPF-QEJZJMRPSA-N 2 1 254.418 2.121 20 0 CEADMP CCCN1CCC([NH2+]CCC2CC[NH+](C)CC2)CC1 ZINC000125279477 187177945 /nfs/dbraw/zinc/17/79/45/187177945.db2.gz DPEWKSMQMAKKNM-UHFFFAOYSA-N 2 1 267.461 2.182 20 0 CEADMP CCOC(=O)[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125426459 187183862 /nfs/dbraw/zinc/18/38/62/187183862.db2.gz OGPGRZYCPJHADI-HNNXBMFYSA-N 2 1 293.411 2.247 20 0 CEADMP CCOC(=O)[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125426459 187183863 /nfs/dbraw/zinc/18/38/63/187183863.db2.gz OGPGRZYCPJHADI-HNNXBMFYSA-N 2 1 293.411 2.247 20 0 CEADMP CC(C)COCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000036908304 361870389 /nfs/dbraw/zinc/87/03/89/361870389.db2.gz UZNQYTDJBTZHFO-QLFBSQMISA-N 2 1 256.434 2.367 20 0 CEADMP CCCC[C@H]([NH3+])C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000037619176 361912743 /nfs/dbraw/zinc/91/27/43/361912743.db2.gz UJHASCKJDJBXRG-INIZCTEOSA-N 2 1 291.439 2.142 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OC)c2)C1 ZINC000037643743 361915215 /nfs/dbraw/zinc/91/52/15/361915215.db2.gz GOUKJMGSLZHMPD-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000037644552 361918471 /nfs/dbraw/zinc/91/84/71/361918471.db2.gz XPFQQSTUGPOIHR-WMLDXEAASA-N 2 1 258.409 2.475 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000337944382 214322732 /nfs/dbraw/zinc/32/27/32/214322732.db2.gz BMBXPMBCDWBPQL-UHFFFAOYSA-N 2 1 287.289 2.113 20 0 CEADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2ccccn2)C1 ZINC000350744731 219056561 /nfs/dbraw/zinc/05/65/61/219056561.db2.gz BLMOSCWOSRBBFG-MRXNPFEDSA-N 2 1 273.424 2.288 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2ccccn2)C1 ZINC000350744731 219056563 /nfs/dbraw/zinc/05/65/63/219056563.db2.gz BLMOSCWOSRBBFG-MRXNPFEDSA-N 2 1 273.424 2.288 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000350744731 219056564 /nfs/dbraw/zinc/05/65/64/219056564.db2.gz BLMOSCWOSRBBFG-MRXNPFEDSA-N 2 1 273.424 2.288 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000350744731 219056566 /nfs/dbraw/zinc/05/65/66/219056566.db2.gz BLMOSCWOSRBBFG-MRXNPFEDSA-N 2 1 273.424 2.288 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337998415 214352593 /nfs/dbraw/zinc/35/25/93/214352593.db2.gz MCBDQHJGIUIZKQ-ZWKOTPCHSA-N 2 1 293.499 2.428 20 0 CEADMP C[C@@H]1CSCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123983457 539179909 /nfs/dbraw/zinc/17/99/09/539179909.db2.gz QTUCXTWWYDWCBU-GFCCVEGCSA-N 2 1 262.422 2.270 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000070326636 539173384 /nfs/dbraw/zinc/17/33/84/539173384.db2.gz DONVTKWGPYLJSG-GZBFAFLISA-N 2 1 252.402 2.018 20 0 CEADMP CN1CC(C[N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000668538276 539192961 /nfs/dbraw/zinc/19/29/61/539192961.db2.gz YLVQAKNQNAXGKA-UHFFFAOYSA-N 2 1 296.798 2.105 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000125838509 187201878 /nfs/dbraw/zinc/20/18/78/187201878.db2.gz VFEWRSHMQKUZFW-PMPSAXMXSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CN[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000125838509 187201879 /nfs/dbraw/zinc/20/18/79/187201879.db2.gz VFEWRSHMQKUZFW-PMPSAXMXSA-N 3 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CN[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000125838509 187201880 /nfs/dbraw/zinc/20/18/80/187201880.db2.gz VFEWRSHMQKUZFW-PMPSAXMXSA-N 3 1 267.461 2.037 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000125838509 187201881 /nfs/dbraw/zinc/20/18/81/187201881.db2.gz VFEWRSHMQKUZFW-PMPSAXMXSA-N 3 1 267.461 2.037 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000125838509 187201882 /nfs/dbraw/zinc/20/18/82/187201882.db2.gz VFEWRSHMQKUZFW-PMPSAXMXSA-N 3 1 267.461 2.037 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000125838509 187201884 /nfs/dbraw/zinc/20/18/84/187201884.db2.gz VFEWRSHMQKUZFW-PMPSAXMXSA-N 3 1 267.461 2.037 20 0 CEADMP Cc1[nH]nc2ncc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc12 ZINC000567724766 299081908 /nfs/dbraw/zinc/08/19/08/299081908.db2.gz IJEFCIIPXSIDCD-LBPRGKRZSA-N 2 1 299.422 2.230 20 0 CEADMP COc1cccc(CCC[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621781375 349701456 /nfs/dbraw/zinc/70/14/56/349701456.db2.gz CQDABAPZAJIDHU-WBVHZDCISA-N 2 1 274.408 2.441 20 0 CEADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c2ccccc21 ZINC000621761687 349695276 /nfs/dbraw/zinc/69/52/76/349695276.db2.gz LDGDOLLZEVOGQI-XJKSGUPXSA-N 2 1 289.423 2.272 20 0 CEADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC000126008362 187210737 /nfs/dbraw/zinc/21/07/37/187210737.db2.gz MFEPQQFPBQHDDY-HIFRSBDPSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1noc(C)c1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166538969 539247559 /nfs/dbraw/zinc/24/75/59/539247559.db2.gz ZOPOREXEFTWAFU-ZIAGYGMSSA-N 2 1 263.385 2.050 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300526605 539250457 /nfs/dbraw/zinc/25/04/57/539250457.db2.gz BYLCMCIABFOHFS-KGLIPLIRSA-N 2 1 252.402 2.149 20 0 CEADMP CSc1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428031164 539254861 /nfs/dbraw/zinc/25/48/61/539254861.db2.gz GDALIKJBSDIDSR-XJKSGUPXSA-N 2 1 292.448 2.471 20 0 CEADMP CSc1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428031164 539254862 /nfs/dbraw/zinc/25/48/62/539254862.db2.gz GDALIKJBSDIDSR-XJKSGUPXSA-N 2 1 292.448 2.471 20 0 CEADMP CC[N@@H+](C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000126303386 365705972 /nfs/dbraw/zinc/70/59/72/365705972.db2.gz CEORXXKHYGPNFP-UHFFFAOYSA-N 2 1 261.413 2.280 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000336606774 365711191 /nfs/dbraw/zinc/71/11/91/365711191.db2.gz NAXKLRHCFMGREV-DOMZBBRYSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@H](CO)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000678046232 539286787 /nfs/dbraw/zinc/28/67/87/539286787.db2.gz UGWYATSGZAILSQ-HOTGVXAUSA-N 2 1 268.445 2.203 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000361154639 282250783 /nfs/dbraw/zinc/25/07/83/282250783.db2.gz QHGVKBWGLUAXLF-GJZGRUSLSA-N 2 1 299.422 2.100 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000361154640 282250912 /nfs/dbraw/zinc/25/09/12/282250912.db2.gz QHGVKBWGLUAXLF-HUUCEWRRSA-N 2 1 299.422 2.100 20 0 CEADMP CN(CC[N@@H+](C)C1CC1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000567826592 299095523 /nfs/dbraw/zinc/09/55/23/299095523.db2.gz HLZNCOXRPACFCX-INIZCTEOSA-N 2 1 289.423 2.019 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000449495694 282258395 /nfs/dbraw/zinc/25/83/95/282258395.db2.gz OXVGOMUDTQVACA-LBPRGKRZSA-N 2 1 276.371 2.122 20 0 CEADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccc1O ZINC000044534732 343473839 /nfs/dbraw/zinc/47/38/39/343473839.db2.gz HDAURUNLRXVMSF-CQSZACIVSA-N 2 1 278.396 2.222 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCOCc1ccccc1 ZINC000336706663 365771349 /nfs/dbraw/zinc/77/13/49/365771349.db2.gz IZOKBDLCMJGILJ-ZBFHGGJFSA-N 2 1 262.397 2.262 20 0 CEADMP CN(CC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336720318 365783744 /nfs/dbraw/zinc/78/37/44/365783744.db2.gz SWSVZWKQMUVMKA-SFHVURJKSA-N 2 1 287.451 2.289 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000449560996 282283907 /nfs/dbraw/zinc/28/39/07/282283907.db2.gz RLGRSDODAFMBTI-MQVJKMGUSA-N 2 1 288.439 2.253 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000449560996 282283913 /nfs/dbraw/zinc/28/39/13/282283913.db2.gz RLGRSDODAFMBTI-MQVJKMGUSA-N 2 1 288.439 2.253 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)C[C@H]12 ZINC000351486797 219102351 /nfs/dbraw/zinc/10/23/51/219102351.db2.gz BDTHSJNWPGAFSI-AEGPPILISA-N 2 1 283.375 2.110 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCc4ccc(F)cc43)C[C@H]12 ZINC000351496717 219105923 /nfs/dbraw/zinc/10/59/23/219105923.db2.gz SADHVUBFGVFMBX-MSQAHXEGSA-N 2 1 260.356 2.482 20 0 CEADMP C[N@@H+](CCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411152444 529920447 /nfs/dbraw/zinc/92/04/47/529920447.db2.gz GAKGPDZYWNQTIO-UHFFFAOYSA-N 2 1 262.397 2.097 20 0 CEADMP C[N@@H+](C[C@@H](O)C1CCCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000354844377 529941531 /nfs/dbraw/zinc/94/15/31/529941531.db2.gz CGQUOXRZOBERNS-GDBMZVCRSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+](C[C@@H](O)C1CCCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000354844377 529941532 /nfs/dbraw/zinc/94/15/32/529941532.db2.gz CGQUOXRZOBERNS-GDBMZVCRSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+](C[C@@H](O)C1CCCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000354844377 529941533 /nfs/dbraw/zinc/94/15/33/529941533.db2.gz CGQUOXRZOBERNS-GDBMZVCRSA-N 2 1 268.445 2.201 20 0 CEADMP c1cnn(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000048449506 362271889 /nfs/dbraw/zinc/27/18/89/362271889.db2.gz NHJSMVCFFUQVDB-UHFFFAOYSA-N 2 1 284.407 2.137 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOC(C)(C)C)C1 ZINC000081649495 344061111 /nfs/dbraw/zinc/06/11/11/344061111.db2.gz IJZGNKWTYKDBGW-HNNXBMFYSA-N 2 1 268.445 2.465 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOC(C)(C)C)C1 ZINC000081649495 344061114 /nfs/dbraw/zinc/06/11/14/344061114.db2.gz IJZGNKWTYKDBGW-HNNXBMFYSA-N 2 1 268.445 2.465 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000081649495 344061118 /nfs/dbraw/zinc/06/11/18/344061118.db2.gz IJZGNKWTYKDBGW-HNNXBMFYSA-N 2 1 268.445 2.465 20 0 CEADMP C[NH2+]CCCN(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000127132608 187284221 /nfs/dbraw/zinc/28/42/21/187284221.db2.gz CENFGKYOJQGYEK-KRWDZBQOSA-N 2 1 275.440 2.192 20 0 CEADMP COc1ccc(COCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000091741202 344171889 /nfs/dbraw/zinc/17/18/89/344171889.db2.gz HBBOEOXZGGYWKB-PBHICJAKSA-N 2 1 292.423 2.142 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](n2cccn2)C1 ZINC000351580148 219133341 /nfs/dbraw/zinc/13/33/41/219133341.db2.gz DBHSNFXMLQHKFE-HOTGVXAUSA-N 2 1 276.428 2.394 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000351580148 219133342 /nfs/dbraw/zinc/13/33/42/219133342.db2.gz DBHSNFXMLQHKFE-HOTGVXAUSA-N 2 1 276.428 2.394 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000351580148 219133344 /nfs/dbraw/zinc/13/33/44/219133344.db2.gz DBHSNFXMLQHKFE-HOTGVXAUSA-N 2 1 276.428 2.394 20 0 CEADMP O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000089926930 344131365 /nfs/dbraw/zinc/13/13/65/344131365.db2.gz JKTHLONJXAKDEI-MWQQHZPXSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000089926930 344131366 /nfs/dbraw/zinc/13/13/66/344131366.db2.gz JKTHLONJXAKDEI-MWQQHZPXSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000089926930 344131368 /nfs/dbraw/zinc/13/13/68/344131368.db2.gz JKTHLONJXAKDEI-MWQQHZPXSA-N 2 1 278.440 2.239 20 0 CEADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000089926930 344131369 /nfs/dbraw/zinc/13/13/69/344131369.db2.gz JKTHLONJXAKDEI-MWQQHZPXSA-N 2 1 278.440 2.239 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(C)c2)[C@H](C)C1 ZINC000090519292 344140606 /nfs/dbraw/zinc/14/06/06/344140606.db2.gz WFJBKMGBEAJHGN-PVAVHDDUSA-N 2 1 276.424 2.348 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCOCC(C)C)CC1 ZINC000336783606 365800879 /nfs/dbraw/zinc/80/08/79/365800879.db2.gz CGUJSGXRHZIOSH-UHFFFAOYSA-N 2 1 256.434 2.465 20 0 CEADMP COC(=O)c1csc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000602463877 347043066 /nfs/dbraw/zinc/04/30/66/347043066.db2.gz WOLWMNXKVNFOAZ-UHFFFAOYSA-N 2 1 296.436 2.308 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1)O[C@H](C)C2 ZINC000132254054 344362845 /nfs/dbraw/zinc/36/28/45/344362845.db2.gz IBSRARFEPXUZJF-UPJWGTAASA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)O[C@H](C)C2 ZINC000132254054 344362846 /nfs/dbraw/zinc/36/28/46/344362846.db2.gz IBSRARFEPXUZJF-UPJWGTAASA-N 2 1 290.407 2.188 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCOCCc1ccccc1 ZINC000215635256 344534323 /nfs/dbraw/zinc/53/43/23/344534323.db2.gz XVNFJKIXSDNSCQ-MRXNPFEDSA-N 2 1 262.397 2.059 20 0 CEADMP [NH3+]C[C@H]1CCC[N@H+]1CCCOCCc1ccccc1 ZINC000215635256 344534325 /nfs/dbraw/zinc/53/43/25/344534325.db2.gz XVNFJKIXSDNSCQ-MRXNPFEDSA-N 2 1 262.397 2.059 20 0 CEADMP CC[N@@H+](CCNC(=O)CC[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000236857742 344597912 /nfs/dbraw/zinc/59/79/12/344597912.db2.gz KMKPQBWHLGXTOQ-MRXNPFEDSA-N 2 1 291.439 2.313 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccnn2CC2CC2)CC1 ZINC000668027318 539395912 /nfs/dbraw/zinc/39/59/12/539395912.db2.gz GOFSOHTVNLUQSL-UHFFFAOYSA-N 2 1 288.439 2.353 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccnn2CC2CC2)CC1 ZINC000668027318 539395914 /nfs/dbraw/zinc/39/59/14/539395914.db2.gz GOFSOHTVNLUQSL-UHFFFAOYSA-N 2 1 288.439 2.353 20 0 CEADMP COc1ccccc1/C=C/CNC[C@@H]1CCC[N@@H+]1C ZINC000237307075 344600929 /nfs/dbraw/zinc/60/09/29/344600929.db2.gz BTNINZGZNQNYMY-PXTSUWAFSA-N 2 1 260.381 2.392 20 0 CEADMP COc1ccccc1/C=C/CNC[C@@H]1CCC[N@H+]1C ZINC000237307075 344600932 /nfs/dbraw/zinc/60/09/32/344600932.db2.gz BTNINZGZNQNYMY-PXTSUWAFSA-N 2 1 260.381 2.392 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000248620000 344623762 /nfs/dbraw/zinc/62/37/62/344623762.db2.gz ZYEDCZOUJALXIH-CVEARBPZSA-N 2 1 284.444 2.193 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000248620000 344623766 /nfs/dbraw/zinc/62/37/66/344623766.db2.gz ZYEDCZOUJALXIH-CVEARBPZSA-N 2 1 284.444 2.193 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000248620000 344623768 /nfs/dbraw/zinc/62/37/68/344623768.db2.gz ZYEDCZOUJALXIH-CVEARBPZSA-N 2 1 284.444 2.193 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000248620000 344623771 /nfs/dbraw/zinc/62/37/71/344623771.db2.gz ZYEDCZOUJALXIH-CVEARBPZSA-N 2 1 284.444 2.193 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000312270357 344737840 /nfs/dbraw/zinc/73/78/40/344737840.db2.gz MLQRPRHOUFKARG-FRRDWIJNSA-N 2 1 294.361 2.416 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OCC)[nH]2)C1 ZINC000602530793 347067834 /nfs/dbraw/zinc/06/78/34/347067834.db2.gz SZBBHMSCIKYGJR-ZDUSSCGKSA-N 2 1 293.411 2.013 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OCC)[nH]2)C1 ZINC000602530793 347067837 /nfs/dbraw/zinc/06/78/37/347067837.db2.gz SZBBHMSCIKYGJR-ZDUSSCGKSA-N 2 1 293.411 2.013 20 0 CEADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000341999444 344771598 /nfs/dbraw/zinc/77/15/98/344771598.db2.gz JLZNKNBRBOJQLZ-GCSSGZNBSA-N 2 1 268.445 2.366 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000359893197 530047414 /nfs/dbraw/zinc/04/74/14/530047414.db2.gz BUEPLHNXCNYXPI-ZNMIVQPWSA-N 2 1 264.413 2.042 20 0 CEADMP CCc1nc(C[NH2+]Cc2ccc(C[NH3+])cc2)cs1 ZINC000328499301 344755102 /nfs/dbraw/zinc/75/51/02/344755102.db2.gz WIYXJEPPHHMFAN-UHFFFAOYSA-N 2 1 261.394 2.454 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000397391753 344851001 /nfs/dbraw/zinc/85/10/01/344851001.db2.gz NXAZEUSNDQQBRK-DVOMOZLQSA-N 2 1 257.381 2.363 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000397391753 344851004 /nfs/dbraw/zinc/85/10/04/344851004.db2.gz NXAZEUSNDQQBRK-DVOMOZLQSA-N 2 1 257.381 2.363 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc2cnccc2c1 ZINC000401802115 344870429 /nfs/dbraw/zinc/87/04/29/344870429.db2.gz NRYFZEVXTGDCDY-UHFFFAOYSA-N 2 1 266.348 2.301 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404375644 344880111 /nfs/dbraw/zinc/88/01/11/344880111.db2.gz KSPDWABLGAHLPV-CJNGLKHVSA-N 2 1 290.407 2.423 20 0 CEADMP CCCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CCC1 ZINC000351609670 219146821 /nfs/dbraw/zinc/14/68/21/219146821.db2.gz MBTPRTFUPYNPKS-HZPDHXFCSA-N 2 1 268.445 2.390 20 0 CEADMP CCCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CCC1 ZINC000351609670 219146822 /nfs/dbraw/zinc/14/68/22/219146822.db2.gz MBTPRTFUPYNPKS-HZPDHXFCSA-N 2 1 268.445 2.390 20 0 CEADMP C([C@H]1CCSC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000224608465 539422952 /nfs/dbraw/zinc/42/29/52/539422952.db2.gz RHGZHNMLNSLENA-MCIONIFRSA-N 2 1 254.443 2.204 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccnn1CC1CC1 ZINC000668166573 539431551 /nfs/dbraw/zinc/43/15/51/539431551.db2.gz AVWFQAJRIRJNSG-UHFFFAOYSA-N 2 1 287.411 2.320 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccnn1CC1CC1 ZINC000668166573 539431558 /nfs/dbraw/zinc/43/15/58/539431558.db2.gz AVWFQAJRIRJNSG-UHFFFAOYSA-N 2 1 287.411 2.320 20 0 CEADMP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000273236477 192083681 /nfs/dbraw/zinc/08/36/81/192083681.db2.gz XVHBWHMKCYNSBZ-KZNAEPCWSA-N 2 1 288.435 2.197 20 0 CEADMP CCOC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000054243233 362520314 /nfs/dbraw/zinc/52/03/14/362520314.db2.gz JOZAMJRSVLNSPO-NFOMZHRRSA-N 2 1 282.428 2.040 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C[C@@H]1C ZINC000591275583 345236887 /nfs/dbraw/zinc/23/68/87/345236887.db2.gz HGNXUSUCUOGEIJ-BYNSBNAKSA-N 2 1 282.428 2.086 20 0 CEADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591867709 345289806 /nfs/dbraw/zinc/28/98/06/345289806.db2.gz RVEICPAWOWRJNA-KGLIPLIRSA-N 2 1 292.427 2.213 20 0 CEADMP CCC(C)(C)NC(=O)[C@@H](C)N1CCC[C@H](n2ccnc2)C1 ZINC000591867709 345289809 /nfs/dbraw/zinc/28/98/09/345289809.db2.gz RVEICPAWOWRJNA-KGLIPLIRSA-N 2 1 292.427 2.213 20 0 CEADMP CCCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591866830 345290036 /nfs/dbraw/zinc/29/00/36/345290036.db2.gz GYBYZWODPRCUQX-HUUCEWRRSA-N 2 1 292.427 2.215 20 0 CEADMP CCCCCNC(=O)[C@@H](C)N1CCC[C@@H](n2ccnc2)C1 ZINC000591866830 345290038 /nfs/dbraw/zinc/29/00/38/345290038.db2.gz GYBYZWODPRCUQX-HUUCEWRRSA-N 2 1 292.427 2.215 20 0 CEADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000592430213 345352633 /nfs/dbraw/zinc/35/26/33/345352633.db2.gz RCXSKGGLIOLCIV-HOCLYGCPSA-N 2 1 282.428 2.041 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478941 345359197 /nfs/dbraw/zinc/35/91/97/345359197.db2.gz MRHXOGYKOBSSNN-GJZGRUSLSA-N 2 1 282.428 2.184 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000037197237 232175746 /nfs/dbraw/zinc/17/57/46/232175746.db2.gz LVGYHJPVFQDDRC-UHFFFAOYSA-N 2 1 266.433 2.316 20 0 CEADMP CC[NH+](Cc1ccc(C)cc1)C[C@H](O)C[N@@H+](C)CC ZINC000568169563 299119805 /nfs/dbraw/zinc/11/98/05/299119805.db2.gz NQMWYJWUHYSKSO-MRXNPFEDSA-N 2 1 264.413 2.130 20 0 CEADMP CC[NH+](Cc1ccc(C)cc1)C[C@H](O)C[N@H+](C)CC ZINC000568169563 299119807 /nfs/dbraw/zinc/11/98/07/299119807.db2.gz NQMWYJWUHYSKSO-MRXNPFEDSA-N 2 1 264.413 2.130 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)Cc1ccc(C)cc1 ZINC000568169563 299119810 /nfs/dbraw/zinc/11/98/10/299119810.db2.gz NQMWYJWUHYSKSO-MRXNPFEDSA-N 2 1 264.413 2.130 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)Cc1ccc(C)cc1 ZINC000568169563 299119814 /nfs/dbraw/zinc/11/98/14/299119814.db2.gz NQMWYJWUHYSKSO-MRXNPFEDSA-N 2 1 264.413 2.130 20 0 CEADMP C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)C1CC[NH2+]CC1 ZINC000229366539 539466105 /nfs/dbraw/zinc/46/61/05/539466105.db2.gz JQVPSQUMJFFUAL-AWEZNQCLSA-N 2 1 252.402 2.162 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(=O)OC)oc2C)C1 ZINC000594611512 345662054 /nfs/dbraw/zinc/66/20/54/345662054.db2.gz FXDHDNKVALJLRN-ZDUSSCGKSA-N 2 1 294.395 2.196 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(=O)OC)oc2C)C1 ZINC000594611512 345662055 /nfs/dbraw/zinc/66/20/55/345662055.db2.gz FXDHDNKVALJLRN-ZDUSSCGKSA-N 2 1 294.395 2.196 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000623086371 349933778 /nfs/dbraw/zinc/93/37/78/349933778.db2.gz MOJXEEYKCLBOKD-UHFFFAOYSA-N 2 1 299.353 2.077 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000594923950 345703735 /nfs/dbraw/zinc/70/37/35/345703735.db2.gz HBBPRTZRNHZGRW-QKPAOTATSA-N 2 1 296.455 2.428 20 0 CEADMP C[C@H](CSCCF)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000595014746 345727319 /nfs/dbraw/zinc/72/73/19/345727319.db2.gz TTYHTSREQXVUOT-AGIUHOORSA-N 2 1 260.422 2.294 20 0 CEADMP C[C@H](CSCCF)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000595014746 345727321 /nfs/dbraw/zinc/72/73/21/345727321.db2.gz TTYHTSREQXVUOT-AGIUHOORSA-N 2 1 260.422 2.294 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(C)(C)CC(=O)OC)C1 ZINC000595017052 345727489 /nfs/dbraw/zinc/72/74/89/345727489.db2.gz YTWBFDWGUSBEDS-KBPBESRZSA-N 2 1 284.444 2.286 20 0 CEADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000595428753 345780630 /nfs/dbraw/zinc/78/06/30/345780630.db2.gz KCMIXMCGSCWNBZ-BARDWOONSA-N 2 1 284.444 2.142 20 0 CEADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000595428753 345780633 /nfs/dbraw/zinc/78/06/33/345780633.db2.gz KCMIXMCGSCWNBZ-BARDWOONSA-N 2 1 284.444 2.142 20 0 CEADMP CC[N@@H+](CCCc1cncn1C)[C@H](C)C(=O)OC(C)(C)C ZINC000595606491 345825023 /nfs/dbraw/zinc/82/50/23/345825023.db2.gz PZMSYMSUIREECI-CYBMUJFWSA-N 2 1 295.427 2.405 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cs1 ZINC000595891354 345907687 /nfs/dbraw/zinc/90/76/87/345907687.db2.gz CTFNEAFQRISKIJ-GVXVVHGQSA-N 2 1 296.436 2.340 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cs1 ZINC000595891354 345907691 /nfs/dbraw/zinc/90/76/91/345907691.db2.gz CTFNEAFQRISKIJ-GVXVVHGQSA-N 2 1 296.436 2.340 20 0 CEADMP COC(=O)CC1(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000595900185 345910010 /nfs/dbraw/zinc/91/00/10/345910010.db2.gz AGZAJVVTGFYDLA-HNNXBMFYSA-N 2 1 294.439 2.041 20 0 CEADMP CCSC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000596653870 346072704 /nfs/dbraw/zinc/07/27/04/346072704.db2.gz XITALMCJJJUADV-SNVBAGLBSA-N 2 1 251.399 2.430 20 0 CEADMP Cc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cn1 ZINC000335150208 539516813 /nfs/dbraw/zinc/51/68/13/539516813.db2.gz ZZOYGUGISUKXNM-CVEARBPZSA-N 2 1 259.397 2.306 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(F)cn1 ZINC000336787289 365807904 /nfs/dbraw/zinc/80/79/04/365807904.db2.gz DVCVRJBMTQISMZ-DGCLKSJQSA-N 2 1 253.365 2.459 20 0 CEADMP CCn1cc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cn1 ZINC000062079407 362705374 /nfs/dbraw/zinc/70/53/74/362705374.db2.gz BQQHEZBYOQYNKB-KBPBESRZSA-N 2 1 264.417 2.286 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600746517 346683492 /nfs/dbraw/zinc/68/34/92/346683492.db2.gz UOLFLISKLDLIRC-IYBDPMFKSA-N 2 1 282.428 2.041 20 0 CEADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@@H]1CCOC1 ZINC000128446997 187370857 /nfs/dbraw/zinc/37/08/57/187370857.db2.gz OGINRFAPSTUEMQ-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(F)cc2)CC[N@H+]1C ZINC000129463918 365861007 /nfs/dbraw/zinc/86/10/07/365861007.db2.gz RQOGVFHVYUGGEJ-IUODEOHRSA-N 2 1 250.361 2.441 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCC[NH2+]C)C1 ZINC000236917232 370654742 /nfs/dbraw/zinc/65/47/42/370654742.db2.gz UWUMHXAMYLWSKZ-CQSZACIVSA-N 2 1 283.460 2.003 20 0 CEADMP Cc1cccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604389229 347413381 /nfs/dbraw/zinc/41/33/81/347413381.db2.gz IORIFBQNJSGYEY-SFHVURJKSA-N 2 1 287.451 2.207 20 0 CEADMP Cc1cccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604389229 347413382 /nfs/dbraw/zinc/41/33/82/347413382.db2.gz IORIFBQNJSGYEY-SFHVURJKSA-N 2 1 287.451 2.207 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000336825495 365884913 /nfs/dbraw/zinc/88/49/13/365884913.db2.gz YVCUCRZCYCKSFT-INIZCTEOSA-N 2 1 278.444 2.244 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C)C[C@H]1C(C)C ZINC000336825495 365884920 /nfs/dbraw/zinc/88/49/20/365884920.db2.gz YVCUCRZCYCKSFT-INIZCTEOSA-N 2 1 278.444 2.244 20 0 CEADMP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000606359061 347467122 /nfs/dbraw/zinc/46/71/22/347467122.db2.gz HHEJIUIBXZTRAD-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(F)c1 ZINC000299931870 539565057 /nfs/dbraw/zinc/56/50/57/539565057.db2.gz NRTGXYQDTDEUGI-WCQYABFASA-N 2 1 266.360 2.251 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(F)c1 ZINC000299931870 539565059 /nfs/dbraw/zinc/56/50/59/539565059.db2.gz NRTGXYQDTDEUGI-WCQYABFASA-N 2 1 266.360 2.251 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000336831858 365897535 /nfs/dbraw/zinc/89/75/35/365897535.db2.gz RPSHGXNBXHSDJG-CQSZACIVSA-N 2 1 279.428 2.082 20 0 CEADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000336834506 365901402 /nfs/dbraw/zinc/90/14/02/365901402.db2.gz GKAKRXGVJCMFMX-KRWDZBQOSA-N 2 1 290.455 2.450 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000336834506 365901412 /nfs/dbraw/zinc/90/14/12/365901412.db2.gz GKAKRXGVJCMFMX-KRWDZBQOSA-N 2 1 290.455 2.450 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccccc2)C[C@@H]1C ZINC000336840316 365912298 /nfs/dbraw/zinc/91/22/98/365912298.db2.gz WLPUIMGKVVDIOY-RYQLBKOJSA-N 2 1 290.451 2.395 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cc2ccccc2)C[C@@H]1C ZINC000336840316 365912302 /nfs/dbraw/zinc/91/23/02/365912302.db2.gz WLPUIMGKVVDIOY-RYQLBKOJSA-N 2 1 290.451 2.395 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cc2ccccc2)C[C@@H]1C ZINC000336840316 365912307 /nfs/dbraw/zinc/91/23/07/365912307.db2.gz WLPUIMGKVVDIOY-RYQLBKOJSA-N 2 1 290.451 2.395 20 0 CEADMP Cc1ncc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)n1C ZINC000568533696 299144425 /nfs/dbraw/zinc/14/44/25/299144425.db2.gz WQLDVRXIEDBKLR-UHFFFAOYSA-N 3 1 264.417 2.127 20 0 CEADMP COC1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000129998016 365914694 /nfs/dbraw/zinc/91/46/94/365914694.db2.gz ABKRXXOHJJSINC-DNOWBOINSA-N 2 1 252.402 2.018 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000128659450 187382423 /nfs/dbraw/zinc/38/24/23/187382423.db2.gz OFGMTCYYUANOCT-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C(C)(C)C)n1 ZINC000334452866 539593043 /nfs/dbraw/zinc/59/30/43/539593043.db2.gz ZNKUCZVVXZMIDM-QGZVFWFLSA-N 2 1 290.455 2.293 20 0 CEADMP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C(C)(C)C)n1 ZINC000334452866 539593046 /nfs/dbraw/zinc/59/30/46/539593046.db2.gz ZNKUCZVVXZMIDM-QGZVFWFLSA-N 2 1 290.455 2.293 20 0 CEADMP CCC[C@@H](C(=O)OCC)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130322468 365944333 /nfs/dbraw/zinc/94/43/33/365944333.db2.gz LZUPQVQUWKOXNK-AWEZNQCLSA-N 2 1 281.400 2.245 20 0 CEADMP CCC[C@@H](C(=O)OCC)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130322468 365944337 /nfs/dbraw/zinc/94/43/37/365944337.db2.gz LZUPQVQUWKOXNK-AWEZNQCLSA-N 2 1 281.400 2.245 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000874840910 649849597 /nfs/dbraw/zinc/84/95/97/649849597.db2.gz RWSRYZCCGTXERY-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874840910 649849598 /nfs/dbraw/zinc/84/95/98/649849598.db2.gz RWSRYZCCGTXERY-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874840910 649849600 /nfs/dbraw/zinc/84/96/00/649849600.db2.gz RWSRYZCCGTXERY-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000087011283 179379471 /nfs/dbraw/zinc/37/94/71/179379471.db2.gz WLQGALINWZIVHM-QGZVFWFLSA-N 2 1 276.424 2.402 20 0 CEADMP Fc1cccc(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357069150 233003693 /nfs/dbraw/zinc/00/36/93/233003693.db2.gz HIHPKIBCCJYIFP-LSDHHAIUSA-N 2 1 262.372 2.300 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000623352619 349996137 /nfs/dbraw/zinc/99/61/37/349996137.db2.gz IJQGTBSFJRARDE-GFCCVEGCSA-N 2 1 267.442 2.456 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000623356990 349997695 /nfs/dbraw/zinc/99/76/95/349997695.db2.gz SNKKDPORSKFTSG-NJAFHUGGSA-N 2 1 293.499 2.428 20 0 CEADMP Cc1nccn1CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623363362 349999746 /nfs/dbraw/zinc/99/97/46/349999746.db2.gz PWRKQYFJXPJUBH-CQSZACIVSA-N 2 1 264.417 2.044 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623363362 349999751 /nfs/dbraw/zinc/99/97/51/349999751.db2.gz PWRKQYFJXPJUBH-CQSZACIVSA-N 3 1 264.417 2.044 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623363362 349999753 /nfs/dbraw/zinc/99/97/53/349999753.db2.gz PWRKQYFJXPJUBH-CQSZACIVSA-N 3 1 264.417 2.044 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339074416 539658445 /nfs/dbraw/zinc/65/84/45/539658445.db2.gz LDQTWQOCAOQNJK-LTIDMASMSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339074416 539658447 /nfs/dbraw/zinc/65/84/47/539658447.db2.gz LDQTWQOCAOQNJK-LTIDMASMSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339074416 539658452 /nfs/dbraw/zinc/65/84/52/539658452.db2.gz LDQTWQOCAOQNJK-LTIDMASMSA-N 2 1 279.472 2.323 20 0 CEADMP O=C(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)NC1CCCCC1 ZINC000339066513 539659877 /nfs/dbraw/zinc/65/98/77/539659877.db2.gz FLOUTIZREDJPAQ-CVEARBPZSA-N 2 1 293.455 2.042 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCNC(=O)CC[NH+]2CCCC[C@H]2C)C1 ZINC000339261604 539678997 /nfs/dbraw/zinc/67/89/97/539678997.db2.gz JVIJUQYYLNDTCV-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCC[NH+](CCNC(=O)CC[N@@H+]2CCCC[C@H]2C)C1 ZINC000339261604 539679002 /nfs/dbraw/zinc/67/90/02/539679002.db2.gz JVIJUQYYLNDTCV-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCC[NH+](CCNC(=O)CC[N@H+]2CCCC[C@H]2C)C1 ZINC000339261604 539679004 /nfs/dbraw/zinc/67/90/04/539679004.db2.gz JVIJUQYYLNDTCV-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400587054 233179811 /nfs/dbraw/zinc/17/98/11/233179811.db2.gz SIUMGSNQRKXJME-RYQLBKOJSA-N 2 1 287.451 2.239 20 0 CEADMP CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000619900595 349250482 /nfs/dbraw/zinc/25/04/82/349250482.db2.gz FAMPQDRVNPRDBD-ZDUSSCGKSA-N 2 1 295.452 2.024 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000619900595 349250485 /nfs/dbraw/zinc/25/04/85/349250485.db2.gz FAMPQDRVNPRDBD-ZDUSSCGKSA-N 2 1 295.452 2.024 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000620623924 349407139 /nfs/dbraw/zinc/40/71/39/349407139.db2.gz INPFSZNNKWEJLV-KKUMJFAQSA-N 2 1 297.487 2.484 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000411434449 233247752 /nfs/dbraw/zinc/24/77/52/233247752.db2.gz BWKJPSRIPFVLIJ-YJBOKZPZSA-N 2 1 288.435 2.485 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2COc3ccccc3C2)CC1(C)C ZINC000623382364 350005465 /nfs/dbraw/zinc/00/54/65/350005465.db2.gz DEMNXZBSTHIQJD-CABCVRRESA-N 2 1 274.408 2.453 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(CC(F)F)CC2)CC1(C)C ZINC000623386019 350006206 /nfs/dbraw/zinc/00/62/06/350006206.db2.gz HLVFGRQPDPYPOA-ZDUSSCGKSA-N 2 1 289.414 2.178 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2)CC1(C)C ZINC000623417933 350014821 /nfs/dbraw/zinc/01/48/21/350014821.db2.gz ZDAZOKPIPXSJAV-OAHLLOKOSA-N 2 1 289.423 2.478 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)CC(C)(C)C)CC1(C)C ZINC000623468695 350027412 /nfs/dbraw/zinc/02/74/12/350027412.db2.gz CAUNGSMAZHEACI-QWHCGFSZSA-N 2 1 256.434 2.246 20 0 CEADMP Cc1cnccc1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623472994 350028716 /nfs/dbraw/zinc/02/87/16/350028716.db2.gz DSBNYTYGCUWSRB-HNNXBMFYSA-N 2 1 261.413 2.395 20 0 CEADMP CC(C)[C@@H](O)C1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623484084 350031421 /nfs/dbraw/zinc/03/14/21/350031421.db2.gz CTDOYQMOSQNSPG-UONOGXRCSA-N 2 1 268.445 2.246 20 0 CEADMP C[N@H+]1CCCC[C@@H](CNCc2n[nH]c3ccccc32)C1 ZINC000623656094 350075985 /nfs/dbraw/zinc/07/59/85/350075985.db2.gz MURXBZLDQXZWJE-ZDUSSCGKSA-N 2 1 272.396 2.384 20 0 CEADMP C[N@H+]1CCCC[C@H](CNCc2cc(-c3cccnc3)n[nH]2)C1 ZINC000623656050 350076111 /nfs/dbraw/zinc/07/61/11/350076111.db2.gz LUVUYMKTVJIUJG-CQSZACIVSA-N 2 1 299.422 2.293 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000623656050 350076114 /nfs/dbraw/zinc/07/61/14/350076114.db2.gz LUVUYMKTVJIUJG-CQSZACIVSA-N 2 1 299.422 2.293 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000623656050 350076115 /nfs/dbraw/zinc/07/61/15/350076115.db2.gz LUVUYMKTVJIUJG-CQSZACIVSA-N 2 1 299.422 2.293 20 0 CEADMP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623523041 350041067 /nfs/dbraw/zinc/04/10/67/350041067.db2.gz HFVVCLGXLZNQMY-MGPQQGTHSA-N 2 1 254.418 2.121 20 0 CEADMP CCC[C@@H](C)C(=O)NCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623532447 350043276 /nfs/dbraw/zinc/04/32/76/350043276.db2.gz RUTDLVYYUBLYON-ZIAGYGMSSA-N 2 1 283.460 2.001 20 0 CEADMP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623542125 350045881 /nfs/dbraw/zinc/04/58/81/350045881.db2.gz OMVYXVRLWRNQBX-GXTWGEPZSA-N 2 1 264.417 2.426 20 0 CEADMP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623542125 350045884 /nfs/dbraw/zinc/04/58/84/350045884.db2.gz OMVYXVRLWRNQBX-GXTWGEPZSA-N 2 1 264.417 2.426 20 0 CEADMP COC1([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCOCC1 ZINC000623553484 350048597 /nfs/dbraw/zinc/04/85/97/350048597.db2.gz XDVSZTCYARZYQH-KGLIPLIRSA-N 2 1 284.444 2.033 20 0 CEADMP CCc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc(C)[nH+]1 ZINC000250506817 539749340 /nfs/dbraw/zinc/74/93/40/539749340.db2.gz JJVPGQKUKPMWSK-KBPBESRZSA-N 2 1 260.385 2.386 20 0 CEADMP CCc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc(C)[nH+]1 ZINC000250506817 539749345 /nfs/dbraw/zinc/74/93/45/539749345.db2.gz JJVPGQKUKPMWSK-KBPBESRZSA-N 2 1 260.385 2.386 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000352060218 219307137 /nfs/dbraw/zinc/30/71/37/219307137.db2.gz SUERYGWAHCDIQD-OAHLLOKOSA-N 2 1 294.443 2.207 20 0 CEADMP COCc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090720302 180029905 /nfs/dbraw/zinc/02/99/05/180029905.db2.gz YUBPEWWCKKMXLM-CJNGLKHVSA-N 2 1 262.397 2.405 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623868397 350129750 /nfs/dbraw/zinc/12/97/50/350129750.db2.gz ZFNYWFOBGRUGRW-OCCSQVGLSA-N 2 1 251.374 2.129 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CCOCC1 ZINC000624121243 350199052 /nfs/dbraw/zinc/19/90/52/350199052.db2.gz RBMMEHBMEDTCSL-KGLIPLIRSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CO2 ZINC000624072222 350185509 /nfs/dbraw/zinc/18/55/09/350185509.db2.gz XWWQDFXKDUXBOJ-KFWWJZLASA-N 2 1 274.408 2.371 20 0 CEADMP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CO2 ZINC000624072222 350185510 /nfs/dbraw/zinc/18/55/10/350185510.db2.gz XWWQDFXKDUXBOJ-KFWWJZLASA-N 2 1 274.408 2.371 20 0 CEADMP C1=CCC(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000624077079 350187129 /nfs/dbraw/zinc/18/71/29/350187129.db2.gz QZIALJNCRLYSMD-MRXNPFEDSA-N 2 1 264.413 2.186 20 0 CEADMP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000624124023 350201246 /nfs/dbraw/zinc/20/12/46/350201246.db2.gz VRBMVMKUWNLGAN-KBPBESRZSA-N 2 1 262.401 2.040 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000624124023 350201247 /nfs/dbraw/zinc/20/12/47/350201247.db2.gz VRBMVMKUWNLGAN-KBPBESRZSA-N 2 1 262.401 2.040 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000624258202 350248216 /nfs/dbraw/zinc/24/82/16/350248216.db2.gz CDSDLUIOLBLKSP-UHFFFAOYSA-N 2 1 263.385 2.140 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000091844751 180269093 /nfs/dbraw/zinc/26/90/93/180269093.db2.gz NBQCGWXRMJDACO-UHFFFAOYSA-N 2 1 275.396 2.347 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+](C)C2CCC([NH3+])CC2)c(C)c1 ZINC000091847854 180271030 /nfs/dbraw/zinc/27/10/30/180271030.db2.gz MTXBUTMDANDQNR-UHFFFAOYSA-N 2 1 289.423 2.444 20 0 CEADMP Cc1ccc2nc(C[N@H+](C)C3CCC([NH3+])CC3)cn2c1 ZINC000091847542 180271493 /nfs/dbraw/zinc/27/14/93/180271493.db2.gz FFYZERCSRBLPHG-UHFFFAOYSA-N 2 1 272.396 2.344 20 0 CEADMP Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)n1 ZINC000681405572 539787576 /nfs/dbraw/zinc/78/75/76/539787576.db2.gz RNCWHUBYSJOWFA-UHFFFAOYSA-N 2 1 282.391 2.416 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000352178074 219345799 /nfs/dbraw/zinc/34/57/99/219345799.db2.gz JKABJPKDBYRYLW-GJZGRUSLSA-N 2 1 283.460 2.001 20 0 CEADMP CC[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000151718275 539798214 /nfs/dbraw/zinc/79/82/14/539798214.db2.gz ABPPDZDXBNZSQG-GOEBONIOSA-N 3 1 267.461 2.181 20 0 CEADMP COC1CC([N@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC000352202861 219359740 /nfs/dbraw/zinc/35/97/40/219359740.db2.gz NCQWAGIMPJCTAC-UHFFFAOYSA-N 2 1 251.374 2.081 20 0 CEADMP COC1CC([N@@H+](C)CCCCn2cc[nH+]c2C)C1 ZINC000352202861 219359742 /nfs/dbraw/zinc/35/97/42/219359742.db2.gz NCQWAGIMPJCTAC-UHFFFAOYSA-N 2 1 251.374 2.081 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@H]([NH+](C)C)CC1)C1CC1 ZINC000625371382 350482222 /nfs/dbraw/zinc/48/22/22/350482222.db2.gz NCRLMCGZKMBUPX-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000107368392 186171421 /nfs/dbraw/zinc/17/14/21/186171421.db2.gz WANKXGHTGYTUDK-FUHWJXTLSA-N 2 1 287.451 2.459 20 0 CEADMP CCCOc1ccc(OCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107573269 186179209 /nfs/dbraw/zinc/17/92/09/186179209.db2.gz RCDYRXFFTRHFHV-GASCZTMLSA-N 2 1 290.407 2.005 20 0 CEADMP CCCOc1ccc(OCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107573269 186179210 /nfs/dbraw/zinc/17/92/10/186179210.db2.gz RCDYRXFFTRHFHV-GASCZTMLSA-N 2 1 290.407 2.005 20 0 CEADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N(C)C ZINC000626061912 350645413 /nfs/dbraw/zinc/64/54/13/350645413.db2.gz YSBPAYYUQQQPBX-AWEZNQCLSA-N 2 1 291.439 2.047 20 0 CEADMP Cc1ccc(N2CCC[N@@H+](CCn3ccnc3)CC2)cc1 ZINC000130722934 365984068 /nfs/dbraw/zinc/98/40/68/365984068.db2.gz JESHTZRPBKWHNE-UHFFFAOYSA-N 2 1 284.407 2.404 20 0 CEADMP Cc1ccsc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000110758101 186319665 /nfs/dbraw/zinc/31/96/65/186319665.db2.gz BRKALWSOZSNISC-UHFFFAOYSA-N 2 1 281.469 2.172 20 0 CEADMP CCC[NH+]1CCC(NCc2ncc(C[NH+](C)C)s2)CC1 ZINC000352229298 219374197 /nfs/dbraw/zinc/37/41/97/219374197.db2.gz DUXCMVDVZUYYBD-UHFFFAOYSA-N 2 1 296.484 2.169 20 0 CEADMP Cc1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)[nH]c1C ZINC000628152906 350979350 /nfs/dbraw/zinc/97/93/50/350979350.db2.gz SHIOOXQEEKGZAD-UHFFFAOYSA-N 2 1 264.417 2.190 20 0 CEADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000131029406 366015359 /nfs/dbraw/zinc/01/53/59/366015359.db2.gz UBAKLIXWPWODJH-ZFWWWQNUSA-N 2 1 292.423 2.176 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc3n[nH]cc32)CC1 ZINC000628252176 351027647 /nfs/dbraw/zinc/02/76/47/351027647.db2.gz KJGPIBODGORKTJ-AWEZNQCLSA-N 2 1 272.396 2.479 20 0 CEADMP C[C@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000628756842 351184603 /nfs/dbraw/zinc/18/46/03/351184603.db2.gz VTOUZKRFSTYOJX-QKPAOTATSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000628756842 351184606 /nfs/dbraw/zinc/18/46/06/351184606.db2.gz VTOUZKRFSTYOJX-QKPAOTATSA-N 2 1 295.471 2.096 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC000629543318 351404840 /nfs/dbraw/zinc/40/48/40/351404840.db2.gz YLZKFEOBHWOFOV-VHDGCEQUSA-N 2 1 274.408 2.283 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C12CCCCC2 ZINC000629543517 351404900 /nfs/dbraw/zinc/40/49/00/351404900.db2.gz AWAVGYIRRLBXAP-GBJTYRQASA-N 2 1 266.429 2.454 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1CC1 ZINC000629516602 351385144 /nfs/dbraw/zinc/38/51/44/351385144.db2.gz LNHURPZKJWWUFN-ARFHVFGLSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000629527435 351391740 /nfs/dbraw/zinc/39/17/40/351391740.db2.gz VPHVLWKRXSOMPH-RFQIPJPRSA-N 2 1 254.418 2.309 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])C1CC1 ZINC000629541556 351403087 /nfs/dbraw/zinc/40/30/87/351403087.db2.gz XMFVTGUYKUBIKF-VHDGCEQUSA-N 2 1 254.418 2.251 20 0 CEADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1OC ZINC000070074061 363026700 /nfs/dbraw/zinc/02/67/00/363026700.db2.gz GMQRIZIKWLFLLA-CQSZACIVSA-N 2 1 278.396 2.407 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000070074293 363027811 /nfs/dbraw/zinc/02/78/11/363027811.db2.gz DZOAKTDVPWKHRJ-LLVKDONJSA-N 2 1 268.323 2.016 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)CC(C)(C)c1ccccc1 ZINC000629654358 351452256 /nfs/dbraw/zinc/45/22/56/351452256.db2.gz PRWQKRQMCBSUIH-UHFFFAOYSA-N 2 1 264.413 2.132 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1cccc(OC2CCCC2)c1 ZINC000629665592 351457810 /nfs/dbraw/zinc/45/78/10/351457810.db2.gz XFXBATVPPAGXPS-UHFFFAOYSA-N 2 1 292.423 2.415 20 0 CEADMP C[N@@H+](CCCc1c(F)cccc1Cl)CCOCC[NH3+] ZINC000629665929 351458205 /nfs/dbraw/zinc/45/82/05/351458205.db2.gz RDCHQRKOOBWBNN-UHFFFAOYSA-N 2 1 288.794 2.319 20 0 CEADMP C[N@@H+](CCOCC[NH3+])[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000629667225 351458636 /nfs/dbraw/zinc/45/86/36/351458636.db2.gz VYUMQWCOTQHBFK-DLBZAZTESA-N 2 1 276.424 2.404 20 0 CEADMP Cc1cncc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000629547747 351407146 /nfs/dbraw/zinc/40/71/46/351407146.db2.gz LNXSCGXHYHLHLJ-ZACQAIPSSA-N 2 1 289.423 2.251 20 0 CEADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629550322 351409540 /nfs/dbraw/zinc/40/95/40/351409540.db2.gz LQQZNJNJNCWMCD-NEPJUHHUSA-N 2 1 294.361 2.466 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CC2CC=CC2)CC[C@H]1C(F)(F)F ZINC000629564720 351415652 /nfs/dbraw/zinc/41/56/52/351415652.db2.gz UDSXLZRKDRJADB-NWDGAFQWSA-N 2 1 262.319 2.412 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1coc(-c2cccs2)n1 ZINC000629570299 351417288 /nfs/dbraw/zinc/41/72/88/351417288.db2.gz BTPMDHHIXDSCHT-UHFFFAOYSA-N 2 1 295.408 2.071 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1coc(-c2cccs2)n1 ZINC000629570299 351417291 /nfs/dbraw/zinc/41/72/91/351417291.db2.gz BTPMDHHIXDSCHT-UHFFFAOYSA-N 2 1 295.408 2.071 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1cc(-c2cccs2)on1 ZINC000629568314 351417391 /nfs/dbraw/zinc/41/73/91/351417391.db2.gz JCWCEWKTFCINGZ-UHFFFAOYSA-N 2 1 295.408 2.071 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC000629568314 351417396 /nfs/dbraw/zinc/41/73/96/351417396.db2.gz JCWCEWKTFCINGZ-UHFFFAOYSA-N 2 1 295.408 2.071 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CCCc2c(F)cccc21)C[NH+]1CCCC1 ZINC000629579198 351420568 /nfs/dbraw/zinc/42/05/68/351420568.db2.gz BQCLCOFJUKBEGE-CXAGYDPISA-N 2 1 292.398 2.249 20 0 CEADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+](C)CCOCC[NH3+] ZINC000629577821 351420694 /nfs/dbraw/zinc/42/06/94/351420694.db2.gz JXWRLQZMJFRACR-CYBMUJFWSA-N 2 1 289.379 2.310 20 0 CEADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)CCOCC[NH3+] ZINC000629577821 351420698 /nfs/dbraw/zinc/42/06/98/351420698.db2.gz JXWRLQZMJFRACR-CYBMUJFWSA-N 2 1 289.379 2.310 20 0 CEADMP COC[C@H](C)[N@@H+](CCC[NH3+])[C@@H]1CCc2ccccc21 ZINC000629589963 351425198 /nfs/dbraw/zinc/42/51/98/351425198.db2.gz GFDMKYXDSPEZTH-XJKSGUPXSA-N 2 1 262.397 2.360 20 0 CEADMP CCN(C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])C1CCCCC1 ZINC000070150010 363038274 /nfs/dbraw/zinc/03/82/74/363038274.db2.gz OXKSDZQXFGBPRX-HNNXBMFYSA-N 2 1 295.471 2.371 20 0 CEADMP CCN(C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])C1CCCCC1 ZINC000070150010 363038277 /nfs/dbraw/zinc/03/82/77/363038277.db2.gz OXKSDZQXFGBPRX-HNNXBMFYSA-N 2 1 295.471 2.371 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000070169706 363042137 /nfs/dbraw/zinc/04/21/37/363042137.db2.gz FZFLRYMOLUPEPN-OAHLLOKOSA-N 2 1 284.407 2.433 20 0 CEADMP CC1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000070170931 363043874 /nfs/dbraw/zinc/04/38/74/363043874.db2.gz SPNQMTVWKOUNBR-PCKAHOCUSA-N 2 1 295.471 2.084 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000070170656 363044042 /nfs/dbraw/zinc/04/40/42/363044042.db2.gz FNFFFFNSSGIMTJ-GFCCVEGCSA-N 2 1 295.814 2.339 20 0 CEADMP COc1ccc(OCC[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070174752 363048190 /nfs/dbraw/zinc/04/81/90/363048190.db2.gz GOAISKBDONRDSE-KGLIPLIRSA-N 2 1 278.396 2.133 20 0 CEADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccccc2C)CC1 ZINC000070189775 363051884 /nfs/dbraw/zinc/05/18/84/363051884.db2.gz ZFAYHGKXJPEBDG-UHFFFAOYSA-N 2 1 289.423 2.255 20 0 CEADMP Cc1[nH+]cc(-c2cccc(OCC[NH+](C)C)c2)n1C ZINC000630052297 351600599 /nfs/dbraw/zinc/60/05/99/351600599.db2.gz ULTPMRAGKJCMDB-UHFFFAOYSA-N 2 1 259.353 2.336 20 0 CEADMP CC(C)CCn1cccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678342914 539822037 /nfs/dbraw/zinc/82/20/37/539822037.db2.gz GXJJYALKAXYWSQ-HUUCEWRRSA-N 2 1 261.413 2.185 20 0 CEADMP CO[C@H]1CN(c2cc[nH+]c3ccsc32)[C@](C)(C[NH3+])C1 ZINC000630375235 351715762 /nfs/dbraw/zinc/71/57/62/351715762.db2.gz OUWLPBOOWXUVFY-YGRLFVJLSA-N 2 1 277.393 2.239 20 0 CEADMP C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000291710641 198066927 /nfs/dbraw/zinc/06/69/27/198066927.db2.gz LFQUPZXMCLOSAV-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](C[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C[NH+](C)C ZINC000291710641 198066928 /nfs/dbraw/zinc/06/69/28/198066928.db2.gz LFQUPZXMCLOSAV-SOLBZPMBSA-N 2 1 289.467 2.437 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](C(C)C)CC2)CC[N@H+]1C ZINC000630642151 351817691 /nfs/dbraw/zinc/81/76/91/351817691.db2.gz RMFOYLWGBWASRG-JKSUJKDBSA-N 2 1 295.471 2.048 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631042670 351934620 /nfs/dbraw/zinc/93/46/20/351934620.db2.gz KYRMCARAYJKBNB-CQSZACIVSA-N 2 1 277.412 2.389 20 0 CEADMP CC(C)n1ncnc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000631043628 351935461 /nfs/dbraw/zinc/93/54/61/351935461.db2.gz ZFICHABHGXHOCC-OAHLLOKOSA-N 2 1 293.459 2.461 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000291969475 198121375 /nfs/dbraw/zinc/12/13/75/198121375.db2.gz SAJWPBWHPOHJKI-CQSZACIVSA-N 2 1 291.439 2.207 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000631196791 352011369 /nfs/dbraw/zinc/01/13/69/352011369.db2.gz AQOMZRISXVPILC-DDBAPUKQSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000631196791 352011372 /nfs/dbraw/zinc/01/13/72/352011372.db2.gz AQOMZRISXVPILC-DDBAPUKQSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000631196796 352011442 /nfs/dbraw/zinc/01/14/42/352011442.db2.gz AQOMZRISXVPILC-LEUOFYLZSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000631196796 352011446 /nfs/dbraw/zinc/01/14/46/352011446.db2.gz AQOMZRISXVPILC-LEUOFYLZSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@H](C(=O)Nc1ccccc1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292084929 198157521 /nfs/dbraw/zinc/15/75/21/198157521.db2.gz GBWWFBSHBNDTHG-PBHICJAKSA-N 2 1 287.407 2.041 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CC[C@H](O)c3ccccc3)C2)C1 ZINC000292091652 198159861 /nfs/dbraw/zinc/15/98/61/198159861.db2.gz GVDCZQBVBOJYMA-DLBZAZTESA-N 2 1 274.408 2.138 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CC[C@H](O)c3ccccc3)C2)C1 ZINC000292091652 198159862 /nfs/dbraw/zinc/15/98/62/198159862.db2.gz GVDCZQBVBOJYMA-DLBZAZTESA-N 2 1 274.408 2.138 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC[C@H](O)c3ccccc3)C2)C1 ZINC000292091652 198159863 /nfs/dbraw/zinc/15/98/63/198159863.db2.gz GVDCZQBVBOJYMA-DLBZAZTESA-N 2 1 274.408 2.138 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000153732338 188100103 /nfs/dbraw/zinc/10/01/03/188100103.db2.gz ZPITTWBYZQCJFN-CYBMUJFWSA-N 2 1 298.402 2.453 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000153732338 188100104 /nfs/dbraw/zinc/10/01/04/188100104.db2.gz ZPITTWBYZQCJFN-CYBMUJFWSA-N 2 1 298.402 2.453 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cccs1 ZINC000153752499 188101320 /nfs/dbraw/zinc/10/13/20/188101320.db2.gz PHJFYLOGDKOHBE-GFCCVEGCSA-N 2 1 256.415 2.367 20 0 CEADMP COc1ccccc1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000154545809 188149386 /nfs/dbraw/zinc/14/93/86/188149386.db2.gz KRKQIQSRUBAPOU-ZFWWWQNUSA-N 2 1 262.397 2.310 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)CC[C@H]1CCCCO1 ZINC000337221526 366086480 /nfs/dbraw/zinc/08/64/80/366086480.db2.gz FCGGXSHYOBIDJP-OAHLLOKOSA-N 2 1 254.418 2.363 20 0 CEADMP C[N@@H+](CCN1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000156307103 188255040 /nfs/dbraw/zinc/25/50/40/188255040.db2.gz QOZZXTNHWFRMNM-UHFFFAOYSA-N 2 1 287.451 2.146 20 0 CEADMP CC1CCC(O)(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000251892355 539994059 /nfs/dbraw/zinc/99/40/59/539994059.db2.gz RXFOYGCIHPIVKB-FYRZTWFESA-N 2 1 266.429 2.144 20 0 CEADMP COCC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCC[C@@H]1C ZINC000487949519 290368760 /nfs/dbraw/zinc/36/87/60/290368760.db2.gz FTHQYVNTIJSKLM-DZGCQCFKSA-N 2 1 265.401 2.329 20 0 CEADMP COCC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCC[C@@H]1C ZINC000487949519 290368764 /nfs/dbraw/zinc/36/87/64/290368764.db2.gz FTHQYVNTIJSKLM-DZGCQCFKSA-N 2 1 265.401 2.329 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494925012 291005473 /nfs/dbraw/zinc/00/54/73/291005473.db2.gz SGGNXERTPMDLBP-QLFBSQMISA-N 2 1 295.471 2.001 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000494949160 291007090 /nfs/dbraw/zinc/00/70/90/291007090.db2.gz LNJCIJVRDNLWNT-CABCVRRESA-N 2 1 286.485 2.172 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1F ZINC000252834718 540008909 /nfs/dbraw/zinc/00/89/09/540008909.db2.gz RXZYJGQNTSKPLH-FPMFFAJLSA-N 2 1 278.371 2.394 20 0 CEADMP O[C@@H](C[NH2+][C@H]1CCCc2cc(F)ccc21)C[NH+]1CCCC1 ZINC000271728093 191292828 /nfs/dbraw/zinc/29/28/28/191292828.db2.gz RSAHUBSMCABWPT-RDJZCZTQSA-N 2 1 292.398 2.249 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337985614 366188984 /nfs/dbraw/zinc/18/89/84/366188984.db2.gz ALEPQMBVSTUTFS-CVEARBPZSA-N 2 1 266.429 2.002 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c(C)n1 ZINC000271895512 191394454 /nfs/dbraw/zinc/39/44/54/191394454.db2.gz UAJGBRUQIWHZIX-NSHDSACASA-N 2 1 260.385 2.006 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(C)cn2)CC1 ZINC000683898871 540206620 /nfs/dbraw/zinc/20/66/20/540206620.db2.gz PUVMSXWYHJUYHZ-UHFFFAOYSA-N 2 1 278.444 2.364 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC([NH+]3CCCCC3)C2)[C@H]2CCC[C@@H]21 ZINC000353611811 283132326 /nfs/dbraw/zinc/13/23/26/283132326.db2.gz ZZGCNPXRVLCWPE-QEXNXIHPSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCCC2)[C@@H]2CCC[C@@H]21 ZINC000367539004 283134157 /nfs/dbraw/zinc/13/41/57/283134157.db2.gz VLEIBZPAQKHGKX-JYJNAYRXSA-N 2 1 280.456 2.392 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451893275 283136304 /nfs/dbraw/zinc/13/63/04/283136304.db2.gz BUYIQXGIQXLWCM-MRXNPFEDSA-N 2 1 277.412 2.474 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451893275 283136308 /nfs/dbraw/zinc/13/63/08/283136308.db2.gz BUYIQXGIQXLWCM-MRXNPFEDSA-N 2 1 277.412 2.474 20 0 CEADMP C[C@H]1C[C@@H](NCC2([NH+](C)C)CCCCC2)C[N@H+]1C1CC1 ZINC000128451281 291082795 /nfs/dbraw/zinc/08/27/95/291082795.db2.gz YGZVFBFKQYWZKT-LSDHHAIUSA-N 2 1 279.472 2.466 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452119840 283193987 /nfs/dbraw/zinc/19/39/87/283193987.db2.gz LLQXCVLZKWABBU-OAHLLOKOSA-N 2 1 265.401 2.066 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](CCCO)C1 ZINC000452119840 283193988 /nfs/dbraw/zinc/19/39/88/283193988.db2.gz LLQXCVLZKWABBU-OAHLLOKOSA-N 2 1 265.401 2.066 20 0 CEADMP Fc1ccc2c(c1)OC[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000575936199 366375730 /nfs/dbraw/zinc/37/57/30/366375730.db2.gz NWZHMLAAFAJNHV-OAHLLOKOSA-N 2 1 290.382 2.346 20 0 CEADMP CC(C)OC1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000090771740 538854745 /nfs/dbraw/zinc/85/47/45/538854745.db2.gz QUTJTQPEHNYASX-UHFFFAOYSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H](C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C(C)(C)C ZINC000670267191 540260822 /nfs/dbraw/zinc/26/08/22/540260822.db2.gz VEVCUHIDWRAGPL-GJZGRUSLSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C(C)(C)C ZINC000670267191 540260825 /nfs/dbraw/zinc/26/08/25/540260825.db2.gz VEVCUHIDWRAGPL-GJZGRUSLSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)C(C)(C)C ZINC000670268985 540261974 /nfs/dbraw/zinc/26/19/74/540261974.db2.gz AJXKRRSNSQAWHB-ZDUSSCGKSA-N 2 1 256.434 2.105 20 0 CEADMP C[C@@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000670270892 540263673 /nfs/dbraw/zinc/26/36/73/540263673.db2.gz DYCUTBDWFAJACG-AWEZNQCLSA-N 2 1 269.477 2.284 20 0 CEADMP C[NH+](CCCCC[N@H+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000352232351 540297738 /nfs/dbraw/zinc/29/77/38/540297738.db2.gz URGOGJLQOXSCPF-IRXDYDNUSA-N 2 1 298.471 2.378 20 0 CEADMP C[C@@H](CN[C@@H](C)c1ncc[nH]1)[N@H+]1CCCC[C@H]1C ZINC000353460732 540315375 /nfs/dbraw/zinc/31/53/75/540315375.db2.gz LGPIJGFKYWVNGE-AGIUHOORSA-N 2 1 250.390 2.323 20 0 CEADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353512542 540316092 /nfs/dbraw/zinc/31/60/92/540316092.db2.gz DNSJCVUNTMXPII-JONQDZQNSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000353528651 540316686 /nfs/dbraw/zinc/31/66/86/540316686.db2.gz OLFOFWFUNAJSAZ-KBPBESRZSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000353585544 540317001 /nfs/dbraw/zinc/31/70/01/540317001.db2.gz UHYUQQZUEVTPDL-GJZGRUSLSA-N 2 1 267.461 2.037 20 0 CEADMP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1F ZINC000166061042 540330201 /nfs/dbraw/zinc/33/02/01/540330201.db2.gz LTISLTRJKQTODH-QWRGUYRKSA-N 2 1 252.333 2.003 20 0 CEADMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1F ZINC000166061042 540330204 /nfs/dbraw/zinc/33/02/04/540330204.db2.gz LTISLTRJKQTODH-QWRGUYRKSA-N 2 1 252.333 2.003 20 0 CEADMP Cc1noc(C)c1CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000166432855 540322900 /nfs/dbraw/zinc/32/29/00/540322900.db2.gz XSADSEWKDQLEKS-UHFFFAOYSA-N 2 1 286.379 2.051 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309930004 540332146 /nfs/dbraw/zinc/33/21/46/540332146.db2.gz YRWLWOFQGPWYJI-IRXDYDNUSA-N 2 1 276.424 2.259 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CC[NH2+]1 ZINC000415108060 291123332 /nfs/dbraw/zinc/12/33/32/291123332.db2.gz KDHWXFFZRLEVTP-HDEZJCGLSA-N 2 1 280.456 2.248 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000496351591 291131473 /nfs/dbraw/zinc/13/14/73/291131473.db2.gz QHKRVBIDKXYAQM-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000496351591 291131475 /nfs/dbraw/zinc/13/14/75/291131475.db2.gz QHKRVBIDKXYAQM-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414318576 236334457 /nfs/dbraw/zinc/33/44/57/236334457.db2.gz XZCQRIPNYZDNCZ-SMKXDYDZSA-N 2 1 294.414 2.220 20 0 CEADMP COCC[NH+]1CCC([NH2+]CC(C)(C)c2cccnc2)CC1 ZINC000414340420 236337804 /nfs/dbraw/zinc/33/78/04/236337804.db2.gz UFRHXGNBLAFMPP-UHFFFAOYSA-N 2 1 291.439 2.060 20 0 CEADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000414795595 236482150 /nfs/dbraw/zinc/48/21/50/236482150.db2.gz NCRIXMKMWBKRIV-ZYHUDNBSSA-N 2 1 251.399 2.238 20 0 CEADMP COc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1SC ZINC000415013027 236596908 /nfs/dbraw/zinc/59/69/08/236596908.db2.gz ULLPGIHEAAZNJP-VHSXEESVSA-N 2 1 254.399 2.242 20 0 CEADMP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000570832005 299280399 /nfs/dbraw/zinc/28/03/99/299280399.db2.gz OKBFELIYFZSVQD-GDBMZVCRSA-N 2 1 276.428 2.295 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)c2ccccc21 ZINC000570832382 299280414 /nfs/dbraw/zinc/28/04/14/299280414.db2.gz PTBSZINZNKVQRD-GDLCADMTSA-N 2 1 299.340 2.357 20 0 CEADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415115470 236637099 /nfs/dbraw/zinc/63/70/99/236637099.db2.gz YLLLYCUOFHPSJM-ILXRZTDVSA-N 2 1 294.443 2.086 20 0 CEADMP CCOC1CC(C[N@H+]2CCC[C@H](n3ccnc3)C2)C1 ZINC000671680581 540481679 /nfs/dbraw/zinc/48/16/79/540481679.db2.gz PPNUNIVRHWEJOM-SLTAFYQDSA-N 2 1 263.385 2.335 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000671730451 540494598 /nfs/dbraw/zinc/49/45/98/540494598.db2.gz KANWZIFPIGUCAK-KKUMJFAQSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000671730451 540494602 /nfs/dbraw/zinc/49/46/02/540494602.db2.gz KANWZIFPIGUCAK-KKUMJFAQSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2[nH]c(=O)oc2c1 ZINC000671761127 540505273 /nfs/dbraw/zinc/50/52/73/540505273.db2.gz GYYUCVPZHJVBKM-SNVBAGLBSA-N 2 1 286.335 2.160 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667873883 540527237 /nfs/dbraw/zinc/52/72/37/540527237.db2.gz QHVIAMXQLAMVOS-CABCVRRESA-N 2 1 263.385 2.129 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccnn2CC2CC2)C1 ZINC000668172446 540578100 /nfs/dbraw/zinc/57/81/00/540578100.db2.gz OEVLMVHNKSAFCO-RDJZCZTQSA-N 2 1 288.439 2.209 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000297568406 200230668 /nfs/dbraw/zinc/23/06/68/200230668.db2.gz GOLAXHJLLVTOMD-DYEKYZERSA-N 2 1 273.384 2.320 20 0 CEADMP c1[nH+]cn2cc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc12 ZINC000297632888 200247065 /nfs/dbraw/zinc/24/70/65/200247065.db2.gz WSGDDYHIQFHIRF-CABCVRRESA-N 2 1 270.380 2.051 20 0 CEADMP c1n[nH]cc1CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000297801668 200283861 /nfs/dbraw/zinc/28/38/61/200283861.db2.gz XKHGGQFUIWNBLF-HDICACEKSA-N 2 1 296.418 2.016 20 0 CEADMP c1n[nH]cc1CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000297801668 200283864 /nfs/dbraw/zinc/28/38/64/200283864.db2.gz XKHGGQFUIWNBLF-HDICACEKSA-N 2 1 296.418 2.016 20 0 CEADMP c1n[nH]cc1CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000297801668 200283865 /nfs/dbraw/zinc/28/38/65/200283865.db2.gz XKHGGQFUIWNBLF-HDICACEKSA-N 2 1 296.418 2.016 20 0 CEADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)nc1 ZINC000150859296 366601936 /nfs/dbraw/zinc/60/19/36/366601936.db2.gz RAGZVTJRDBXKCW-OAHLLOKOSA-N 2 1 259.397 2.042 20 0 CEADMP c1ccc(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)nc1 ZINC000150859296 366601939 /nfs/dbraw/zinc/60/19/39/366601939.db2.gz RAGZVTJRDBXKCW-OAHLLOKOSA-N 2 1 259.397 2.042 20 0 CEADMP C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCC[C@H]1C ZINC000339065814 366638135 /nfs/dbraw/zinc/63/81/35/366638135.db2.gz HODQNJOWVFSRNW-WCXIOVBPSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1CCCC[C@H]1C ZINC000339065814 366638140 /nfs/dbraw/zinc/63/81/40/366638140.db2.gz HODQNJOWVFSRNW-WCXIOVBPSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+]1CCCC[C@H]1C ZINC000339065814 366638145 /nfs/dbraw/zinc/63/81/45/366638145.db2.gz HODQNJOWVFSRNW-WCXIOVBPSA-N 2 1 279.472 2.466 20 0 CEADMP Oc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298226731 200365948 /nfs/dbraw/zinc/36/59/48/200365948.db2.gz AYNYDOKRXIDWRA-UHFFFAOYSA-N 2 1 260.381 2.151 20 0 CEADMP CN(CC[N@@H+](C)CCCCCF)C1CC[NH+](C)CC1 ZINC000341907479 216148509 /nfs/dbraw/zinc/14/85/09/216148509.db2.gz XUUAMAKMDTUHDP-UHFFFAOYSA-N 2 1 273.440 2.084 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC)c2)C1 ZINC000177838016 189073151 /nfs/dbraw/zinc/07/31/51/189073151.db2.gz LNDBKEGDZWPXDB-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC)c2)C1 ZINC000177838016 189073152 /nfs/dbraw/zinc/07/31/52/189073152.db2.gz LNDBKEGDZWPXDB-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OC)c2)C1 ZINC000177838016 189073153 /nfs/dbraw/zinc/07/31/53/189073153.db2.gz LNDBKEGDZWPXDB-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000177838016 189073154 /nfs/dbraw/zinc/07/31/54/189073154.db2.gz LNDBKEGDZWPXDB-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178701001 189139091 /nfs/dbraw/zinc/13/90/91/189139091.db2.gz XIKVYIMLKJNZAM-RYUDHWBXSA-N 2 1 275.400 2.220 20 0 CEADMP CCCOc1ccc(OCC[NH2+]CC2([NH3+])CCC2)cc1 ZINC000342137625 216233036 /nfs/dbraw/zinc/23/30/36/216233036.db2.gz PAKGFZNOMQXOHT-UHFFFAOYSA-N 2 1 278.396 2.325 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCN2Cc3ccccc3C2)[C@@H](C)C1 ZINC000675780530 540873631 /nfs/dbraw/zinc/87/36/31/540873631.db2.gz PXCWOCARCHRCPX-MAUKXSAKSA-N 2 1 287.451 2.322 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccccc1C ZINC000571653447 299321716 /nfs/dbraw/zinc/32/17/16/299321716.db2.gz IJRHRACPPLHONX-LSDHHAIUSA-N 2 1 264.413 2.300 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccccc1C ZINC000571653447 299321719 /nfs/dbraw/zinc/32/17/19/299321719.db2.gz IJRHRACPPLHONX-LSDHHAIUSA-N 2 1 264.413 2.300 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccccc1C ZINC000571653447 299321720 /nfs/dbraw/zinc/32/17/20/299321720.db2.gz IJRHRACPPLHONX-LSDHHAIUSA-N 2 1 264.413 2.300 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1C ZINC000571653447 299321723 /nfs/dbraw/zinc/32/17/23/299321723.db2.gz IJRHRACPPLHONX-LSDHHAIUSA-N 2 1 264.413 2.300 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2ccccn2)[C@H](C)C1 ZINC000181486798 189297800 /nfs/dbraw/zinc/29/78/00/189297800.db2.gz PBMYTJDFUNXQQG-GDBMZVCRSA-N 2 1 261.413 2.334 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1ccccn1 ZINC000181496116 189298455 /nfs/dbraw/zinc/29/84/55/189298455.db2.gz WZEYGUZWMUYHFI-IJEWVQPXSA-N 2 1 261.413 2.333 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@H](O)Cc1ccc(F)cc1)C1CC1 ZINC000580064402 366743641 /nfs/dbraw/zinc/74/36/41/366743641.db2.gz BIAZSJBIXFDJSI-QGZVFWFLSA-N 2 1 294.414 2.193 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000153070599 366727646 /nfs/dbraw/zinc/72/76/46/366727646.db2.gz LQCCMKUGVZNOGL-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H](c1ccccn1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000579968648 366731652 /nfs/dbraw/zinc/73/16/52/366731652.db2.gz NBHMETJBKGFNKX-ZDUSSCGKSA-N 2 1 258.369 2.441 20 0 CEADMP C[C@@H](c1ccccn1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000579968648 366731655 /nfs/dbraw/zinc/73/16/55/366731655.db2.gz NBHMETJBKGFNKX-ZDUSSCGKSA-N 2 1 258.369 2.441 20 0 CEADMP CC[C@@](C)(C[NH2+]CCCCn1cc[nH+]c1C)OC ZINC000638673843 370677367 /nfs/dbraw/zinc/67/73/67/370677367.db2.gz ADWMMYNZQZQBDT-AWEZNQCLSA-N 2 1 253.390 2.376 20 0 CEADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000237060538 370684692 /nfs/dbraw/zinc/68/46/92/370684692.db2.gz FKMJHZTVHKVRJN-RRFJBIMHSA-N 2 1 297.487 2.377 20 0 CEADMP O[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580191504 366763568 /nfs/dbraw/zinc/76/35/68/366763568.db2.gz JBKUMFAHVZKKOI-GVDBMIGSSA-N 2 1 286.419 2.297 20 0 CEADMP O[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580191504 366763571 /nfs/dbraw/zinc/76/35/71/366763571.db2.gz JBKUMFAHVZKKOI-GVDBMIGSSA-N 2 1 286.419 2.297 20 0 CEADMP CCCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1 ZINC000154374827 366770813 /nfs/dbraw/zinc/77/08/13/366770813.db2.gz IYHXCMGHZFPQGH-CVEARBPZSA-N 2 1 264.413 2.430 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@]2(C)CCCO2)C1 ZINC000340199407 366802041 /nfs/dbraw/zinc/80/20/41/366802041.db2.gz LXTYVUWZVWKXMN-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000180014110 542259839 /nfs/dbraw/zinc/25/98/39/542259839.db2.gz DOXAAOPNLQJCMI-CYBMUJFWSA-N 2 1 264.417 2.491 20 0 CEADMP C[N@H+](Cc1cc(O)cc(F)c1)CC1CC[NH+](C)CC1 ZINC000184149985 189377841 /nfs/dbraw/zinc/37/78/41/189377841.db2.gz ZGBQBEZKJQOWPM-UHFFFAOYSA-N 2 1 266.360 2.305 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000020120785 361582170 /nfs/dbraw/zinc/58/21/70/361582170.db2.gz PJKDDOIMAIGQFF-UHFFFAOYSA-N 2 1 276.380 2.032 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000678315540 541115037 /nfs/dbraw/zinc/11/50/37/541115037.db2.gz SZLURRUDYSGJSD-UHFFFAOYSA-N 2 1 287.411 2.175 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000678315540 541115039 /nfs/dbraw/zinc/11/50/39/541115039.db2.gz SZLURRUDYSGJSD-UHFFFAOYSA-N 2 1 287.411 2.175 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCCCO)C1 ZINC000679340333 541259672 /nfs/dbraw/zinc/25/96/72/541259672.db2.gz QYVLLLBRVWTAFQ-CABCVRRESA-N 2 1 256.434 2.248 20 0 CEADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086727158 363838523 /nfs/dbraw/zinc/83/85/23/363838523.db2.gz BMVBGIJUIAATJE-ZWNOBZJWSA-N 2 1 283.213 2.332 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCc1ccc2c(c1)CCO2 ZINC000088103089 363877795 /nfs/dbraw/zinc/87/77/95/363877795.db2.gz OTBDIYSAZVPODJ-MRXNPFEDSA-N 2 1 274.408 2.367 20 0 CEADMP COc1ccccc1OCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000088399412 363893555 /nfs/dbraw/zinc/89/35/55/363893555.db2.gz VCFNMRHILOKVBC-UONOGXRCSA-N 2 1 278.396 2.133 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)s1 ZINC000088868431 363925928 /nfs/dbraw/zinc/92/59/28/363925928.db2.gz LVVCEMLNBRDZHC-LBPRGKRZSA-N 2 1 253.415 2.321 20 0 CEADMP Cc1nccn1CC[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000334656163 364140551 /nfs/dbraw/zinc/14/05/51/364140551.db2.gz VSWOHTXHWMZXSP-CQSZACIVSA-N 2 1 265.426 2.411 20 0 CEADMP Cc1cccn2c(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])cnc12 ZINC000334615611 364085688 /nfs/dbraw/zinc/08/56/88/364085688.db2.gz LFMUOHPFEATCCQ-ZIAGYGMSSA-N 2 1 258.369 2.002 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000334638278 364115823 /nfs/dbraw/zinc/11/58/23/364115823.db2.gz MYOWPDCWXRPHGI-MRXNPFEDSA-N 2 1 288.439 2.404 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CC=C(C(C)(C)C)CC1 ZINC000356415996 370701256 /nfs/dbraw/zinc/70/12/56/370701256.db2.gz JGDGUJWFGYFKCK-UHFFFAOYSA-N 2 1 295.471 2.121 20 0 CEADMP CC(C)[NH+](C)CC(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000356415996 370701262 /nfs/dbraw/zinc/70/12/62/370701262.db2.gz JGDGUJWFGYFKCK-UHFFFAOYSA-N 2 1 295.471 2.121 20 0 CEADMP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000356415996 370701268 /nfs/dbraw/zinc/70/12/68/370701268.db2.gz JGDGUJWFGYFKCK-UHFFFAOYSA-N 2 1 295.471 2.121 20 0 CEADMP C[N@@H+](CCc1ccc2c(c1)CCO2)CC(C)(C)C[NH3+] ZINC000093874015 364237408 /nfs/dbraw/zinc/23/74/08/364237408.db2.gz ZSVUWYLYWRMVAK-UHFFFAOYSA-N 2 1 262.397 2.081 20 0 CEADMP C[C@@H]([NH2+]Cc1cncnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272220685 541346276 /nfs/dbraw/zinc/34/62/76/541346276.db2.gz RZNHCXBXLIIDAM-QAPCUYQASA-N 2 1 296.418 2.477 20 0 CEADMP C[C@@H]([NH2+]Cc1cncnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272220685 541346279 /nfs/dbraw/zinc/34/62/79/541346279.db2.gz RZNHCXBXLIIDAM-QAPCUYQASA-N 2 1 296.418 2.477 20 0 CEADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(C(C)(C)C)n1 ZINC000093964281 364244779 /nfs/dbraw/zinc/24/47/79/364244779.db2.gz ZYRFJZBCBFLFIW-CYBMUJFWSA-N 2 1 278.444 2.149 20 0 CEADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(C(C)(C)C)n1 ZINC000093964281 364244783 /nfs/dbraw/zinc/24/47/83/364244783.db2.gz ZYRFJZBCBFLFIW-CYBMUJFWSA-N 2 1 278.444 2.149 20 0 CEADMP [NH3+]CCCOC1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000094069944 364249630 /nfs/dbraw/zinc/24/96/30/364249630.db2.gz CSESSSQVTPYTTD-UHFFFAOYSA-N 2 1 284.350 2.295 20 0 CEADMP CCCCN1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000094085751 364252006 /nfs/dbraw/zinc/25/20/06/364252006.db2.gz IXVYTWWFBCVQOF-UHFFFAOYSA-N 2 1 253.434 2.110 20 0 CEADMP C1C[NH2+]C[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000334848112 364276561 /nfs/dbraw/zinc/27/65/61/364276561.db2.gz HYOQMAHPWLKODZ-AWEZNQCLSA-N 2 1 252.402 2.067 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCCN(C3CCCC3)CC2)CC[NH2+]1 ZINC000334860947 364278135 /nfs/dbraw/zinc/27/81/35/364278135.db2.gz ZPPPXXLLUKXMIV-CVEARBPZSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1C[C@@H](CN2CCC[N@@H+](C3CCCC3)CC2)CC[NH2+]1 ZINC000334860947 364278139 /nfs/dbraw/zinc/27/81/39/364278139.db2.gz ZPPPXXLLUKXMIV-CVEARBPZSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@@H]1C[C@@H](CN2CCC[N@H+](C3CCCC3)CC2)CC[NH2+]1 ZINC000334860947 364278145 /nfs/dbraw/zinc/27/81/45/364278145.db2.gz ZPPPXXLLUKXMIV-CVEARBPZSA-N 2 1 279.472 2.325 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2cscn2)C1 ZINC000340293437 366839107 /nfs/dbraw/zinc/83/91/07/366839107.db2.gz YCTIDPWZLDIWFU-ZDUSSCGKSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cscn2)C1 ZINC000340293437 366839111 /nfs/dbraw/zinc/83/91/11/366839111.db2.gz YCTIDPWZLDIWFU-ZDUSSCGKSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2cscn2)C1 ZINC000340293437 366839113 /nfs/dbraw/zinc/83/91/13/366839113.db2.gz YCTIDPWZLDIWFU-ZDUSSCGKSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cscn2)C1 ZINC000340293437 366839116 /nfs/dbraw/zinc/83/91/16/366839116.db2.gz YCTIDPWZLDIWFU-ZDUSSCGKSA-N 2 1 267.442 2.349 20 0 CEADMP CC(C)n1ccc(C[C@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)n1 ZINC000572083820 299343855 /nfs/dbraw/zinc/34/38/55/299343855.db2.gz ULJDIIOZBVLEPE-STQMWFEESA-N 2 1 287.411 2.265 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cnc(N(C)C)n2C)[C@@H]1C ZINC000335145517 364539302 /nfs/dbraw/zinc/53/93/02/364539302.db2.gz AGWWXINPARKCPF-VXGBXAGGSA-N 2 1 250.390 2.107 20 0 CEADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335215926 364636910 /nfs/dbraw/zinc/63/69/10/364636910.db2.gz KKBLISPWNWGAJX-CQSZACIVSA-N 2 1 264.344 2.381 20 0 CEADMP Cc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)nc1 ZINC000335277629 364678455 /nfs/dbraw/zinc/67/84/55/364678455.db2.gz KKNPMVNMTUXBMQ-CQSZACIVSA-N 2 1 259.397 2.354 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000104149645 364681307 /nfs/dbraw/zinc/68/13/07/364681307.db2.gz SBQNBLZTMHSGPC-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000104149645 364681311 /nfs/dbraw/zinc/68/13/11/364681311.db2.gz SBQNBLZTMHSGPC-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000104149645 364681317 /nfs/dbraw/zinc/68/13/17/364681317.db2.gz SBQNBLZTMHSGPC-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCCOC3)CC2)cc1 ZINC000112793040 364845007 /nfs/dbraw/zinc/84/50/07/364845007.db2.gz NAALKZRXGDLOCC-KRWDZBQOSA-N 2 1 274.408 2.420 20 0 CEADMP Cc1cnn(CCCCC[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000113516094 364903914 /nfs/dbraw/zinc/90/39/14/364903914.db2.gz XVUOJQYZOMKPKW-MRXNPFEDSA-N 2 1 278.444 2.245 20 0 CEADMP CCCC[N@@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114455067 364945169 /nfs/dbraw/zinc/94/51/69/364945169.db2.gz NESLHMJTFAVEDJ-UHFFFAOYSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)CC[N@@H+]1C ZINC000335815138 365020208 /nfs/dbraw/zinc/02/02/08/365020208.db2.gz YWKJSEYQPAPBJD-XJKSGUPXSA-N 2 1 299.418 2.111 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)CC[N@H+]1C ZINC000335815138 365020214 /nfs/dbraw/zinc/02/02/14/365020214.db2.gz YWKJSEYQPAPBJD-XJKSGUPXSA-N 2 1 299.418 2.111 20 0 CEADMP CCN(Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)C1CC1 ZINC000680774650 541453088 /nfs/dbraw/zinc/45/30/88/541453088.db2.gz PTYXSIIRECYVPG-QXMXGUDHSA-N 2 1 290.411 2.394 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000119143628 365223523 /nfs/dbraw/zinc/22/35/23/365223523.db2.gz MZRDDJUGSYRJLK-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000119143628 365223528 /nfs/dbraw/zinc/22/35/28/365223528.db2.gz MZRDDJUGSYRJLK-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1ccc([C@H]2CCC[N@H+]2CCOCC[NH3+])cc1C ZINC000357105979 370805440 /nfs/dbraw/zinc/80/54/40/370805440.db2.gz POPNUDVLXBLQMA-MRXNPFEDSA-N 2 1 262.397 2.416 20 0 CEADMP CSC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000335998747 365272086 /nfs/dbraw/zinc/27/20/86/365272086.db2.gz RHOLRSOGRXVZDS-OLZOCXBDSA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000335998747 365272090 /nfs/dbraw/zinc/27/20/90/365272090.db2.gz RHOLRSOGRXVZDS-OLZOCXBDSA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000335998747 365272093 /nfs/dbraw/zinc/27/20/93/365272093.db2.gz RHOLRSOGRXVZDS-OLZOCXBDSA-N 2 1 254.443 2.298 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000119641822 365303077 /nfs/dbraw/zinc/30/30/77/365303077.db2.gz AICNQLFCHHBYCX-UHFFFAOYSA-N 2 1 279.472 2.323 20 0 CEADMP c1cc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc2c1OCO2 ZINC000572340594 299359152 /nfs/dbraw/zinc/35/91/52/299359152.db2.gz PCMPLJVQDJKBNF-UHFFFAOYSA-N 2 1 288.391 2.174 20 0 CEADMP Cc1cccn2c(CN3CC[C@@]4(CC[N@H+](C)C4)C3)cnc12 ZINC000336113245 365425299 /nfs/dbraw/zinc/42/52/99/365425299.db2.gz QXORKFUKYYIGLT-QGZVFWFLSA-N 2 1 284.407 2.170 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)F)[C@H](C)C1 ZINC000340464936 366893963 /nfs/dbraw/zinc/89/39/63/366893963.db2.gz JFMCLQCMJMXSKA-ILXRZTDVSA-N 2 1 274.424 2.461 20 0 CEADMP C(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC[NH+]1CCCC1 ZINC000340475363 366901067 /nfs/dbraw/zinc/90/10/67/366901067.db2.gz ACKIILFVZXKLJL-IAGOWNOFSA-N 3 1 279.472 2.469 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CC2)[C@@H](C)C1 ZINC000340487012 366905019 /nfs/dbraw/zinc/90/50/19/366905019.db2.gz JYYMNCSHXXRWBA-XIRDDKMYSA-N 2 1 298.471 2.138 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](c2nc(C3([NH3+])CCCCC3)no2)C1 ZINC000582719980 366948517 /nfs/dbraw/zinc/94/85/17/366948517.db2.gz QIPCIGSSSXKMNA-MNOVXSKESA-N 2 1 264.373 2.248 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000583078788 366997007 /nfs/dbraw/zinc/99/70/07/366997007.db2.gz KGGQGKRECVWHTE-NSHDSACASA-N 2 1 273.380 2.103 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCOC2)C1 ZINC000583290253 367026730 /nfs/dbraw/zinc/02/67/30/367026730.db2.gz PHOBWEVQHOLCHB-ZNMIVQPWSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)C1C[NH2+]C1 ZINC000583747070 367090410 /nfs/dbraw/zinc/09/04/10/367090410.db2.gz SLHFZEJSVHFWSX-XHDPSFHLSA-N 2 1 281.831 2.140 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000161618456 367102458 /nfs/dbraw/zinc/10/24/58/367102458.db2.gz YRWJPMVOYWRMJR-QGZVFWFLSA-N 3 1 279.472 2.279 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000161618456 367102461 /nfs/dbraw/zinc/10/24/61/367102461.db2.gz YRWJPMVOYWRMJR-QGZVFWFLSA-N 2 1 279.472 2.279 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000161618456 367102462 /nfs/dbraw/zinc/10/24/62/367102462.db2.gz YRWJPMVOYWRMJR-QGZVFWFLSA-N 2 1 279.472 2.279 20 0 CEADMP Cc1csc(C[N@@H+](C)CCCn2ccnc2)n1 ZINC000162299469 367149474 /nfs/dbraw/zinc/14/94/74/367149474.db2.gz CHGMISGLXHYOSV-UHFFFAOYSA-N 2 1 250.371 2.170 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCCNc2ccccn2)CC[N@H+]1C ZINC000162835628 367195611 /nfs/dbraw/zinc/19/56/11/367195611.db2.gz UGWLPPCHAQEMCK-CABCVRRESA-N 2 1 276.428 2.346 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000163198097 367223672 /nfs/dbraw/zinc/22/36/72/367223672.db2.gz OUCKZSQOYOLVTL-ZYHUDNBSSA-N 2 1 252.333 2.003 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000163198097 367223680 /nfs/dbraw/zinc/22/36/80/367223680.db2.gz OUCKZSQOYOLVTL-ZYHUDNBSSA-N 2 1 252.333 2.003 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000245613934 370848268 /nfs/dbraw/zinc/84/82/68/370848268.db2.gz MCQCSCWNBSPINK-CABCVRRESA-N 2 1 295.452 2.178 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000245613934 370848278 /nfs/dbraw/zinc/84/82/78/370848278.db2.gz MCQCSCWNBSPINK-CABCVRRESA-N 2 1 295.452 2.178 20 0 CEADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341287871 367267910 /nfs/dbraw/zinc/26/79/10/367267910.db2.gz RWBCZZYMALLHAU-OAGGEKHMSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341287871 367267913 /nfs/dbraw/zinc/26/79/13/367267913.db2.gz RWBCZZYMALLHAU-OAGGEKHMSA-N 2 1 295.471 2.240 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(OC)c1 ZINC000163460933 367241581 /nfs/dbraw/zinc/24/15/81/367241581.db2.gz QTIACNHMVQYEGJ-OCCSQVGLSA-N 2 1 278.396 2.121 20 0 CEADMP c1ccc(NC[C@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)nc1 ZINC000163459848 367242360 /nfs/dbraw/zinc/24/23/60/367242360.db2.gz IJVVQDLSNPHSCX-MRXNPFEDSA-N 2 1 288.439 2.301 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000163641329 367256006 /nfs/dbraw/zinc/25/60/06/367256006.db2.gz QKZBYQDYRVSDDQ-PBHICJAKSA-N 2 1 292.423 2.394 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)C1CCOCC1 ZINC000164713162 367293999 /nfs/dbraw/zinc/29/39/99/367293999.db2.gz JXANPCLZVLBASX-CYBMUJFWSA-N 2 1 265.401 2.376 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1C[C@H]2CCCC[C@]2(C(=O)OC)C1 ZINC000342135984 367386445 /nfs/dbraw/zinc/38/64/45/367386445.db2.gz UWNJEERQWFQDGP-WBVHZDCISA-N 2 1 296.455 2.384 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CC12CCOCC2 ZINC000631827511 367565846 /nfs/dbraw/zinc/56/58/46/367565846.db2.gz POJOUVKRJDUYKJ-CHWSQXEVSA-N 2 1 288.382 2.109 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342809414 367549686 /nfs/dbraw/zinc/54/96/86/367549686.db2.gz JQOVNGGNQJTTGX-XJKCOSOUSA-N 2 1 286.423 2.424 20 0 CEADMP C[C@](C[NH3+])([NH2+]CCc1cccc2c1OC(F)(F)O2)C1CC1 ZINC000631822433 367560822 /nfs/dbraw/zinc/56/08/22/367560822.db2.gz CQVZEHNNESXVTK-CQSZACIVSA-N 2 1 298.333 2.268 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000631825816 367564636 /nfs/dbraw/zinc/56/46/36/367564636.db2.gz VIPFYWYBWPOLEF-CQSZACIVSA-N 2 1 274.408 2.320 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000631833162 367572008 /nfs/dbraw/zinc/57/20/08/367572008.db2.gz UOTFXRNKBSUOAU-CYBMUJFWSA-N 2 1 293.386 2.358 20 0 CEADMP [NH3+][C@@H]1CCCCC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000631833162 367572012 /nfs/dbraw/zinc/57/20/12/367572012.db2.gz UOTFXRNKBSUOAU-CYBMUJFWSA-N 2 1 293.386 2.358 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)nc2)C[C@H]1C[NH3+] ZINC000631837092 367577308 /nfs/dbraw/zinc/57/73/08/367577308.db2.gz MSVFRYDWWNTACL-XJKSGUPXSA-N 2 1 282.391 2.170 20 0 CEADMP Cc1cc(C[NH+]2CCC([NH2+]CCO)CC2)c2ccccc2n1 ZINC000631862955 367598992 /nfs/dbraw/zinc/59/89/92/367598992.db2.gz PUBJXSUJBDAEIL-UHFFFAOYSA-N 2 1 299.418 2.090 20 0 CEADMP Fc1cccc(O[C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000631879173 367604935 /nfs/dbraw/zinc/60/49/35/367604935.db2.gz MSYDBVJFOUOYRE-CZUORRHYSA-N 2 1 278.371 2.278 20 0 CEADMP COCc1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631889239 367610469 /nfs/dbraw/zinc/61/04/69/367610469.db2.gz DSEZVCYCJPUAJH-IAGOWNOFSA-N 2 1 274.408 2.407 20 0 CEADMP CC1(C)CN(c2cc[nH+]c3ccccc32)CC[N@H+]1CCO ZINC000681991850 541616642 /nfs/dbraw/zinc/61/66/42/541616642.db2.gz HTXPNMWFRWXBKX-UHFFFAOYSA-N 2 1 285.391 2.128 20 0 CEADMP CCc1nc(NCC(C)(C)C[NH+]2CCCC2)cc(C)[nH+]1 ZINC000343212223 367707892 /nfs/dbraw/zinc/70/78/92/367707892.db2.gz BNFSCZMNDAJNTD-UHFFFAOYSA-N 2 1 276.428 2.303 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC2CCC2)CC1 ZINC000173596499 367926297 /nfs/dbraw/zinc/92/62/97/367926297.db2.gz ZMJXQHLCRIDJKW-IYBDPMFKSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@@H](CCO)C1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCC1 ZINC000344282675 368118111 /nfs/dbraw/zinc/11/81/11/368118111.db2.gz FSDGSCOJOZPBSZ-ILXRZTDVSA-N 2 1 268.445 2.105 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000343942954 368083605 /nfs/dbraw/zinc/08/36/05/368083605.db2.gz VEBXGZHAFQYZSA-JYJNAYRXSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343942954 368083612 /nfs/dbraw/zinc/08/36/12/368083612.db2.gz VEBXGZHAFQYZSA-JYJNAYRXSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000343942954 368083616 /nfs/dbraw/zinc/08/36/16/368083616.db2.gz VEBXGZHAFQYZSA-JYJNAYRXSA-N 2 1 267.461 2.323 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1(C[NH3+])CCCCC1 ZINC000638999375 370898026 /nfs/dbraw/zinc/89/80/26/370898026.db2.gz ZWXLFZBJQJYVPG-CYBMUJFWSA-N 2 1 292.427 2.174 20 0 CEADMP CC(C)(C)CC[NH+]1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178979260 368318030 /nfs/dbraw/zinc/31/80/30/368318030.db2.gz HHIYVCFOUVDMNQ-UHFFFAOYSA-N 2 1 267.461 2.040 20 0 CEADMP C[C@H]([NH2+]Cc1cc[nH]n1)c1cccc(OCC[NH+](C)C)c1 ZINC000177955700 368284646 /nfs/dbraw/zinc/28/46/46/368284646.db2.gz WJBKVHQXDPCZGZ-ZDUSSCGKSA-N 2 1 288.395 2.201 20 0 CEADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000178079773 368287737 /nfs/dbraw/zinc/28/77/37/368287737.db2.gz KBWFEHBXYQXDEI-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000178079773 368287738 /nfs/dbraw/zinc/28/77/38/368287738.db2.gz KBWFEHBXYQXDEI-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCOc2ncccc2Cl)CC[N@@H+]1C ZINC000181321316 368444627 /nfs/dbraw/zinc/44/46/27/368444627.db2.gz JRAYHUTYSCBXLA-VXGBXAGGSA-N 2 1 283.803 2.186 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCOc2ncccc2Cl)CC[N@H+]1C ZINC000181321316 368444631 /nfs/dbraw/zinc/44/46/31/368444631.db2.gz JRAYHUTYSCBXLA-VXGBXAGGSA-N 2 1 283.803 2.186 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000346140909 368558134 /nfs/dbraw/zinc/55/81/34/368558134.db2.gz WYILQOHCILTOBZ-IUODEOHRSA-N 2 1 250.361 2.298 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182248573 368542264 /nfs/dbraw/zinc/54/22/64/368542264.db2.gz ABBGBJBYBKZLCF-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@H](C)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182559371 368567527 /nfs/dbraw/zinc/56/75/27/368567527.db2.gz XAAVKUHHKCDDSP-PMRDEQMMSA-N 2 1 279.472 2.275 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000346224774 368599138 /nfs/dbraw/zinc/59/91/38/368599138.db2.gz QTMZIVCJHMLQJE-ZDUSSCGKSA-N 2 1 286.379 2.044 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)CC(F)(F)F)CC1 ZINC000346243712 368604855 /nfs/dbraw/zinc/60/48/55/368604855.db2.gz KSCDEGGOMUSJFR-LBPRGKRZSA-N 2 1 282.350 2.104 20 0 CEADMP c1cn(CCC[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cn1 ZINC000183105483 368609979 /nfs/dbraw/zinc/60/99/79/368609979.db2.gz XJBMPDDHYGZBMK-HUUCEWRRSA-N 2 1 295.452 2.260 20 0 CEADMP CC(C)CC[C@@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000634555378 368714487 /nfs/dbraw/zinc/71/44/87/368714487.db2.gz IUBOAWCAPVYTRI-SNVBAGLBSA-N 2 1 252.362 2.234 20 0 CEADMP O[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246207734 370927691 /nfs/dbraw/zinc/92/76/91/370927691.db2.gz ORSWXSIHRBYYRU-ROUUACIJSA-N 2 1 288.435 2.008 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNC(=O)CC1CCCCC1 ZINC000358158707 370928463 /nfs/dbraw/zinc/92/84/63/370928463.db2.gz OJCWTZBPACDIGI-GOEBONIOSA-N 2 1 295.471 2.003 20 0 CEADMP CCCCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000346621574 368738568 /nfs/dbraw/zinc/73/85/68/368738568.db2.gz MNPCWAYLLQUOJJ-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP CCCCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000346624682 368740104 /nfs/dbraw/zinc/74/01/04/368740104.db2.gz QUJWWRGPPXGFHV-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC000358117537 370911594 /nfs/dbraw/zinc/91/15/94/370911594.db2.gz LWOORYNHBTWLDT-OAHLLOKOSA-N 2 1 282.453 2.202 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C(C)(C)C)s2)C1 ZINC000358117537 370911599 /nfs/dbraw/zinc/91/15/99/370911599.db2.gz LWOORYNHBTWLDT-OAHLLOKOSA-N 2 1 282.453 2.202 20 0 CEADMP C[C@@H]1C[C@H](N(CCC[NH3+])c2cccc(F)c2)CC[N@H+]1C ZINC000639037219 370916484 /nfs/dbraw/zinc/91/64/84/370916484.db2.gz GUADMAKWEHVZKG-CZUORRHYSA-N 2 1 279.403 2.464 20 0 CEADMP C[S@](=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246166869 370919140 /nfs/dbraw/zinc/91/91/40/370919140.db2.gz FPHLLSJSLQXTHW-SIFCLUCFSA-N 2 1 292.448 2.140 20 0 CEADMP C[S@](=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246166869 370919144 /nfs/dbraw/zinc/91/91/44/370919144.db2.gz FPHLLSJSLQXTHW-SIFCLUCFSA-N 2 1 292.448 2.140 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)[C@H](C)C1 ZINC000246280468 370941124 /nfs/dbraw/zinc/94/11/24/370941124.db2.gz BMTLEBXZJPLIHJ-WCVJEAGWSA-N 2 1 298.496 2.361 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1C ZINC000346682835 368767478 /nfs/dbraw/zinc/76/74/78/368767478.db2.gz PZHUFEYZBJVFNI-SMDDNHRTSA-N 2 1 264.417 2.079 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CCC[NH3+])cc1 ZINC000572721188 299392960 /nfs/dbraw/zinc/39/29/60/299392960.db2.gz VDHRQUYNJVQOTD-UHFFFAOYSA-N 2 1 258.369 2.166 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000185223085 368771553 /nfs/dbraw/zinc/77/15/53/368771553.db2.gz APQIMAMAEFEYKD-GOSISDBHSA-N 2 1 297.402 2.071 20 0 CEADMP CCC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccnc1 ZINC000185115911 368750624 /nfs/dbraw/zinc/75/06/24/368750624.db2.gz ZQOOMJUSTNYUTG-KRWDZBQOSA-N 2 1 291.439 2.359 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346658280 368756280 /nfs/dbraw/zinc/75/62/80/368756280.db2.gz UGNXGDFUTLUINJ-LGVMCUBASA-N 2 1 260.381 2.378 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CC[C@@H]3CCCCO3)CC[C@H]21 ZINC000347445501 368810049 /nfs/dbraw/zinc/81/00/49/368810049.db2.gz SZMBQNLNOYBKNL-OWCLPIDISA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)CC[C@H]21 ZINC000347445501 368810053 /nfs/dbraw/zinc/81/00/53/368810053.db2.gz SZMBQNLNOYBKNL-OWCLPIDISA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)CC[C@H]21 ZINC000347445501 368810058 /nfs/dbraw/zinc/81/00/58/368810058.db2.gz SZMBQNLNOYBKNL-OWCLPIDISA-N 2 1 266.429 2.362 20 0 CEADMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634684115 368812617 /nfs/dbraw/zinc/81/26/17/368812617.db2.gz ICBSGMGLQWLPMQ-ZDUSSCGKSA-N 2 1 254.418 2.408 20 0 CEADMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634684115 368812620 /nfs/dbraw/zinc/81/26/20/368812620.db2.gz ICBSGMGLQWLPMQ-ZDUSSCGKSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)O1 ZINC000634688361 368816725 /nfs/dbraw/zinc/81/67/25/368816725.db2.gz QISWHDVMSFJSRD-BFHYXJOUSA-N 2 1 252.402 2.018 20 0 CEADMP O[C@]1(C[NH2+][C@H]2CC=CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634703861 368830462 /nfs/dbraw/zinc/83/04/62/368830462.db2.gz CCTTVUPZDZTPTB-ROUUACIJSA-N 2 1 286.419 2.322 20 0 CEADMP O[C@]1(C[NH2+][C@H]2CC=CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634703861 368830467 /nfs/dbraw/zinc/83/04/67/368830467.db2.gz CCTTVUPZDZTPTB-ROUUACIJSA-N 2 1 286.419 2.322 20 0 CEADMP C[C@@H]([NH2+]CCn1cccn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185680705 368841321 /nfs/dbraw/zinc/84/13/21/368841321.db2.gz YRWQZTVKPKTAIR-HUUCEWRRSA-N 2 1 276.428 2.126 20 0 CEADMP C[C@H]([NH2+]CCn1cccn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185680687 368841704 /nfs/dbraw/zinc/84/17/04/368841704.db2.gz YRWQZTVKPKTAIR-LSDHHAIUSA-N 2 1 276.428 2.126 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000346694429 368777901 /nfs/dbraw/zinc/77/79/01/368777901.db2.gz ULIUCTNMGMWLIX-QWHCGFSZSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000346694429 368777904 /nfs/dbraw/zinc/77/79/04/368777904.db2.gz ULIUCTNMGMWLIX-QWHCGFSZSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000346694428 368778001 /nfs/dbraw/zinc/77/80/01/368778001.db2.gz ULIUCTNMGMWLIX-OLZOCXBDSA-N 2 1 270.380 2.246 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000346694428 368778004 /nfs/dbraw/zinc/77/80/04/368778004.db2.gz ULIUCTNMGMWLIX-OLZOCXBDSA-N 2 1 270.380 2.246 20 0 CEADMP CCO[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)C12CCC2 ZINC000346960701 368793473 /nfs/dbraw/zinc/79/34/73/368793473.db2.gz FPHGZBOTYRRKHT-CABCVRRESA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)NC(=O)CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749042 368853013 /nfs/dbraw/zinc/85/30/13/368853013.db2.gz FHKGXTOFWXOJIH-CABCVRRESA-N 2 1 295.471 2.144 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCC[C@H]1CCO ZINC000348165720 368930106 /nfs/dbraw/zinc/93/01/06/368930106.db2.gz YXSDATXRJDIXSE-ZNMIVQPWSA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000348315101 368998550 /nfs/dbraw/zinc/99/85/50/368998550.db2.gz CWDLEJNSEBHUSL-HRCADAONSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@](CO)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000348327841 369006031 /nfs/dbraw/zinc/00/60/31/369006031.db2.gz FLLKADSBDGOHQS-RCCFBDPRSA-N 2 1 288.435 2.153 20 0 CEADMP Nc1ccc(-c2cccc(C[NH2+]C[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000634995169 369024820 /nfs/dbraw/zinc/02/48/20/369024820.db2.gz XKLMGRRUXHXUOU-AWEZNQCLSA-N 2 1 296.418 2.420 20 0 CEADMP CCn1nc(C)c(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c1C ZINC000634997916 369027666 /nfs/dbraw/zinc/02/76/66/369027666.db2.gz WDEIQCNURUSQRT-IUODEOHRSA-N 2 1 278.444 2.340 20 0 CEADMP C[C@@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000634998332 369029520 /nfs/dbraw/zinc/02/95/20/369029520.db2.gz DHHDOAYVYFDMSD-CZUORRHYSA-N 2 1 274.408 2.081 20 0 CEADMP C[C@@H]1C[N@H+](Cc2c(F)cccc2N2CCCC2)C[C@H]1C[NH3+] ZINC000634998757 369032213 /nfs/dbraw/zinc/03/22/13/369032213.db2.gz KOGAGZKVSVEPEZ-ZIAGYGMSSA-N 2 1 291.414 2.453 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c(F)cccc2N2CCCC2)C[C@H]1C[NH3+] ZINC000634998757 369032215 /nfs/dbraw/zinc/03/22/15/369032215.db2.gz KOGAGZKVSVEPEZ-ZIAGYGMSSA-N 2 1 291.414 2.453 20 0 CEADMP COc1ccc2nc(C[N@H+]3C[C@@H](C[NH3+])[C@H](C)C3)sc2c1 ZINC000634999346 369033689 /nfs/dbraw/zinc/03/36/89/369033689.db2.gz SQVOEEUPRVPMOH-GHMZBOCLSA-N 2 1 291.420 2.332 20 0 CEADMP COc1ccc2nc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)sc2c1 ZINC000634999346 369033691 /nfs/dbraw/zinc/03/36/91/369033691.db2.gz SQVOEEUPRVPMOH-GHMZBOCLSA-N 2 1 291.420 2.332 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H]1CCNC(=O)CC1)[NH+]1CCC(C)CC1 ZINC000634952424 368986440 /nfs/dbraw/zinc/98/64/40/368986440.db2.gz YUIBCJBGVRTCRY-CVEARBPZSA-N 2 1 295.471 2.001 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC[C@@H]2CCOC2)C1 ZINC000682805927 541716658 /nfs/dbraw/zinc/71/66/58/541716658.db2.gz QQNKNPFWGBTKLJ-HUUCEWRRSA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000682805927 541716661 /nfs/dbraw/zinc/71/66/61/541716661.db2.gz QQNKNPFWGBTKLJ-HUUCEWRRSA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000682805927 541716664 /nfs/dbraw/zinc/71/66/64/541716664.db2.gz QQNKNPFWGBTKLJ-HUUCEWRRSA-N 2 1 254.418 2.077 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(C(N)=O)c1 ZINC000330642596 203071283 /nfs/dbraw/zinc/07/12/83/203071283.db2.gz DZAUFQSNNOXZLN-SWLSCSKDSA-N 2 1 275.396 2.042 20 0 CEADMP CN(CC[N@@H+](C)CC1(C)CCC1)C1CC[NH+](C)CC1 ZINC000349062493 369232491 /nfs/dbraw/zinc/23/24/91/369232491.db2.gz MFXYYGGATNJMOZ-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP CCSCCN(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000349073184 369236110 /nfs/dbraw/zinc/23/61/10/369236110.db2.gz JPVCXSGEZXTJNE-HNNXBMFYSA-N 2 1 287.517 2.087 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC000635598294 369238028 /nfs/dbraw/zinc/23/80/28/369238028.db2.gz WWWZDLGNCVUTKW-GJZGRUSLSA-N 2 1 297.487 2.296 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC000635598294 369238038 /nfs/dbraw/zinc/23/80/38/369238038.db2.gz WWWZDLGNCVUTKW-GJZGRUSLSA-N 2 1 297.487 2.296 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC000635598294 369238042 /nfs/dbraw/zinc/23/80/42/369238042.db2.gz WWWZDLGNCVUTKW-GJZGRUSLSA-N 2 1 297.487 2.296 20 0 CEADMP Cc1cc(C)c(CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)cn1 ZINC000636006289 369454808 /nfs/dbraw/zinc/45/48/08/369454808.db2.gz JGZHOPGISZPATJ-INIZCTEOSA-N 2 1 287.407 2.332 20 0 CEADMP Cc1cc(C)c(CNC(=O)[C@@H]2CCN2C2CCCC2)cn1 ZINC000636006289 369454815 /nfs/dbraw/zinc/45/48/15/369454815.db2.gz JGZHOPGISZPATJ-INIZCTEOSA-N 2 1 287.407 2.332 20 0 CEADMP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358205577 370950923 /nfs/dbraw/zinc/95/09/23/370950923.db2.gz QWXSYZSCZUYAEF-BMFZPTHFSA-N 2 1 266.429 2.408 20 0 CEADMP CCc1ccc([C@H](CC)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358248846 370971397 /nfs/dbraw/zinc/97/13/97/370971397.db2.gz JJOQKKCSMRLNQY-IRXDYDNUSA-N 2 1 276.424 2.356 20 0 CEADMP CCc1ccc([C@H](CC)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358248846 370971403 /nfs/dbraw/zinc/97/14/03/370971403.db2.gz JJOQKKCSMRLNQY-IRXDYDNUSA-N 2 1 276.424 2.356 20 0 CEADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(C)cc1 ZINC000358256705 370976305 /nfs/dbraw/zinc/97/63/05/370976305.db2.gz RHRJXRQPVBDKEC-JKSUJKDBSA-N 2 1 262.397 2.102 20 0 CEADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000358256705 370976311 /nfs/dbraw/zinc/97/63/11/370976311.db2.gz RHRJXRQPVBDKEC-JKSUJKDBSA-N 2 1 262.397 2.102 20 0 CEADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(C)cc1 ZINC000358256688 370976515 /nfs/dbraw/zinc/97/65/15/370976515.db2.gz RHRJXRQPVBDKEC-CVEARBPZSA-N 2 1 262.397 2.102 20 0 CEADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(C)cc1 ZINC000358256688 370976518 /nfs/dbraw/zinc/97/65/18/370976518.db2.gz RHRJXRQPVBDKEC-CVEARBPZSA-N 2 1 262.397 2.102 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2c3ccccc3NC2=O)CC[N@H+]1C ZINC000246473963 370967275 /nfs/dbraw/zinc/96/72/75/370967275.db2.gz QSAIBXGKKKHXKA-NFAWXSAZSA-N 2 1 287.407 2.185 20 0 CEADMP C[C@@H](CCC1CCCCC1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358263206 370981422 /nfs/dbraw/zinc/98/14/22/370981422.db2.gz XLYBHVLQMXGVRM-HOCLYGCPSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@@H](CCC1CCCCC1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358263206 370981423 /nfs/dbraw/zinc/98/14/23/370981423.db2.gz XLYBHVLQMXGVRM-HOCLYGCPSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+](CC1CC1)C1CCCCC1)C1CC1 ZINC000351494159 369636706 /nfs/dbraw/zinc/63/67/06/369636706.db2.gz NOHDVCDNTUITNT-KRWDZBQOSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+](CC1CC1)C1CCCCC1)C1CC1 ZINC000351494159 369636710 /nfs/dbraw/zinc/63/67/10/369636710.db2.gz NOHDVCDNTUITNT-KRWDZBQOSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](CC1CC1)C1CCCCC1)C1CC1 ZINC000351494159 369636713 /nfs/dbraw/zinc/63/67/13/369636713.db2.gz NOHDVCDNTUITNT-KRWDZBQOSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](CC1CC1)C1CCCCC1)C1CC1 ZINC000351494159 369636715 /nfs/dbraw/zinc/63/67/15/369636715.db2.gz NOHDVCDNTUITNT-KRWDZBQOSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000351956878 369658104 /nfs/dbraw/zinc/65/81/04/369658104.db2.gz IOVYRFXKDLKSSJ-KFWWJZLASA-N 2 1 266.429 2.360 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000351956878 369658109 /nfs/dbraw/zinc/65/81/09/369658109.db2.gz IOVYRFXKDLKSSJ-KFWWJZLASA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000351956878 369658110 /nfs/dbraw/zinc/65/81/10/369658110.db2.gz IOVYRFXKDLKSSJ-KFWWJZLASA-N 2 1 266.429 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000351956878 369658113 /nfs/dbraw/zinc/65/81/13/369658113.db2.gz IOVYRFXKDLKSSJ-KFWWJZLASA-N 2 1 266.429 2.360 20 0 CEADMP CN(CC[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1 ZINC000352517247 369769048 /nfs/dbraw/zinc/76/90/48/369769048.db2.gz CIOSCBKNRZFRNF-MRXNPFEDSA-N 2 1 261.413 2.326 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCCC[C@@H]3CC[NH3+])ccc21 ZINC000352526116 369773817 /nfs/dbraw/zinc/77/38/17/369773817.db2.gz KIGLPBCXYLEYBZ-CQSZACIVSA-N 2 1 272.396 2.277 20 0 CEADMP Cc1cc(NCC[N@H+]2CCOC[C@H]2C)c2ccccc2[nH+]1 ZINC000352636518 369814115 /nfs/dbraw/zinc/81/41/15/369814115.db2.gz HHLJRECYBQVKLY-CQSZACIVSA-N 2 1 285.391 2.098 20 0 CEADMP Cc1cc(NCC[N@@H+]2CCOC[C@H]2C)c2ccccc2[nH+]1 ZINC000352636518 369814122 /nfs/dbraw/zinc/81/41/22/369814122.db2.gz HHLJRECYBQVKLY-CQSZACIVSA-N 2 1 285.391 2.098 20 0 CEADMP CC1CC[NH+](CCCC[NH2+]Cc2cocn2)CC1 ZINC000192286827 369791053 /nfs/dbraw/zinc/79/10/53/369791053.db2.gz XFOZTBGIYXXCTC-UHFFFAOYSA-N 2 1 251.374 2.276 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@H]1CCCc2occc21 ZINC000192663500 369839433 /nfs/dbraw/zinc/83/94/33/369839433.db2.gz VDAJKKLNWKNDJF-AWEZNQCLSA-N 2 1 266.385 2.215 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2occc21 ZINC000192663500 369839439 /nfs/dbraw/zinc/83/94/39/369839439.db2.gz VDAJKKLNWKNDJF-AWEZNQCLSA-N 2 1 266.385 2.215 20 0 CEADMP CSC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352712428 369849970 /nfs/dbraw/zinc/84/99/70/369849970.db2.gz PKHOYAMQPCVVPU-UHFFFAOYSA-N 2 1 271.455 2.190 20 0 CEADMP COc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1O ZINC000192799905 369856478 /nfs/dbraw/zinc/85/64/78/369856478.db2.gz GODWRDCBZOWSBD-AGUYFDCRSA-N 2 1 276.380 2.116 20 0 CEADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1O ZINC000192799905 369856482 /nfs/dbraw/zinc/85/64/82/369856482.db2.gz GODWRDCBZOWSBD-AGUYFDCRSA-N 2 1 276.380 2.116 20 0 CEADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1O ZINC000192799905 369856488 /nfs/dbraw/zinc/85/64/88/369856488.db2.gz GODWRDCBZOWSBD-AGUYFDCRSA-N 2 1 276.380 2.116 20 0 CEADMP C[C@H](Cc1ccncc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352756186 369869688 /nfs/dbraw/zinc/86/96/88/369869688.db2.gz OXCKENNQEMMCBQ-GFCCVEGCSA-N 2 1 290.436 2.321 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H](CO)CC(C)(C)C)s1 ZINC000352758232 369869748 /nfs/dbraw/zinc/86/97/48/369869748.db2.gz HKMHUKPRSNAEEA-LLVKDONJSA-N 2 1 285.457 2.091 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@@H](C)[NH3+])C1 ZINC000193314583 369924240 /nfs/dbraw/zinc/92/42/40/369924240.db2.gz HHXCZCSAFYLUOH-KGLIPLIRSA-N 2 1 283.460 2.131 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)NCc1ncc(C[NH+](C)C)s1 ZINC000353072976 370008868 /nfs/dbraw/zinc/00/88/68/370008868.db2.gz NEUUMEFHNJYFLW-ZDUSSCGKSA-N 2 1 298.500 2.415 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NCc1ncc(C[NH+](C)C)s1 ZINC000353072976 370008873 /nfs/dbraw/zinc/00/88/73/370008873.db2.gz NEUUMEFHNJYFLW-ZDUSSCGKSA-N 2 1 298.500 2.415 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353528581 370116526 /nfs/dbraw/zinc/11/65/26/370116526.db2.gz NRUCLKQVQXCZNL-CQJMVSDSSA-N 2 1 268.445 2.246 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)n1 ZINC000353568194 370118206 /nfs/dbraw/zinc/11/82/06/370118206.db2.gz PBYYQXMPSLWELX-KBPBESRZSA-N 2 1 279.428 2.340 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)n1 ZINC000353568194 370118211 /nfs/dbraw/zinc/11/82/11/370118211.db2.gz PBYYQXMPSLWELX-KBPBESRZSA-N 2 1 279.428 2.340 20 0 CEADMP CC(C)n1nccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353915161 370134794 /nfs/dbraw/zinc/13/47/94/370134794.db2.gz MIZQAYPZYZFMGI-CYBMUJFWSA-N 2 1 262.401 2.038 20 0 CEADMP CC(C)n1nccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000353915161 370134797 /nfs/dbraw/zinc/13/47/97/370134797.db2.gz MIZQAYPZYZFMGI-CYBMUJFWSA-N 2 1 262.401 2.038 20 0 CEADMP CC(C)n1nccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353915162 370134839 /nfs/dbraw/zinc/13/48/39/370134839.db2.gz MIZQAYPZYZFMGI-ZDUSSCGKSA-N 2 1 262.401 2.038 20 0 CEADMP CC(C)n1nccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000353915162 370134845 /nfs/dbraw/zinc/13/48/45/370134845.db2.gz MIZQAYPZYZFMGI-ZDUSSCGKSA-N 2 1 262.401 2.038 20 0 CEADMP CO[C@H](C[N@@H+](C)C1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000637890225 370150426 /nfs/dbraw/zinc/15/04/26/370150426.db2.gz WMYUYEFMUMCGIZ-QGZVFWFLSA-N 2 1 298.471 2.233 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC000354105616 370218525 /nfs/dbraw/zinc/21/85/25/370218525.db2.gz COOJFDSZWAJGNQ-HNNXBMFYSA-N 2 1 295.427 2.224 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC000354077983 370207092 /nfs/dbraw/zinc/20/70/92/370207092.db2.gz LKBXTEQODDFPFV-QGZVFWFLSA-N 2 1 291.439 2.323 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@](C)(CC)OC)C1 ZINC000638122181 370318457 /nfs/dbraw/zinc/31/84/57/370318457.db2.gz JCGDCEQXJUSPHO-CABCVRRESA-N 2 1 256.434 2.465 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NC2CCCC2)C[C@H]1C ZINC000354225945 370270646 /nfs/dbraw/zinc/27/06/46/370270646.db2.gz ZSRQNJOXVHNEMT-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NC2CCCC2)C[C@H]1C ZINC000354225945 370270652 /nfs/dbraw/zinc/27/06/52/370270652.db2.gz ZSRQNJOXVHNEMT-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)NC2CCCC2)C[C@H]1C ZINC000354225945 370270657 /nfs/dbraw/zinc/27/06/57/370270657.db2.gz ZSRQNJOXVHNEMT-ZBFHGGJFSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000354264560 370286067 /nfs/dbraw/zinc/28/60/67/370286067.db2.gz FYQZDPRRTURLEA-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000354264560 370286075 /nfs/dbraw/zinc/28/60/75/370286075.db2.gz FYQZDPRRTURLEA-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000354264560 370286082 /nfs/dbraw/zinc/28/60/82/370286082.db2.gz FYQZDPRRTURLEA-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CO[C@@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)C1CCCCC1 ZINC000638088716 370290882 /nfs/dbraw/zinc/29/08/82/370290882.db2.gz GQEYTUOCDIMYHT-XHSDSOJGSA-N 2 1 266.429 2.266 20 0 CEADMP CO[C@@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)C1CCCCC1 ZINC000638088716 370290883 /nfs/dbraw/zinc/29/08/83/370290883.db2.gz GQEYTUOCDIMYHT-XHSDSOJGSA-N 2 1 266.429 2.266 20 0 CEADMP CO[C@](C)(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000638112068 370309125 /nfs/dbraw/zinc/30/91/25/370309125.db2.gz JOGYAMGJSLYBQY-GDBMZVCRSA-N 2 1 266.429 2.219 20 0 CEADMP CCC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C)OC ZINC000638113536 370310467 /nfs/dbraw/zinc/31/04/67/370310467.db2.gz PATWLNJSXXUAHN-RBSFLKMASA-N 2 1 256.434 2.464 20 0 CEADMP CCC[C@H](C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C)OC ZINC000638113536 370310469 /nfs/dbraw/zinc/31/04/69/370310469.db2.gz PATWLNJSXXUAHN-RBSFLKMASA-N 2 1 256.434 2.464 20 0 CEADMP CCC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)OC ZINC000638113536 370310471 /nfs/dbraw/zinc/31/04/71/370310471.db2.gz PATWLNJSXXUAHN-RBSFLKMASA-N 2 1 256.434 2.464 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@H]2CCO2)[C@@H](C)C1 ZINC000638114707 370311576 /nfs/dbraw/zinc/31/15/76/370311576.db2.gz XTPKWJFWBJIDHY-KKUMJFAQSA-N 2 1 254.418 2.218 20 0 CEADMP CCc1cc(NCC[N@H+](C)[C@@H](C)CC)nc(C)n1 ZINC000227865312 370386217 /nfs/dbraw/zinc/38/62/17/370386217.db2.gz FSLMJIWQEVMUSV-NSHDSACASA-N 2 1 250.390 2.490 20 0 CEADMP CCc1cc(NCC[N@@H+](C)[C@@H](C)CC)nc(C)[nH+]1 ZINC000227865312 370386222 /nfs/dbraw/zinc/38/62/22/370386222.db2.gz FSLMJIWQEVMUSV-NSHDSACASA-N 2 1 250.390 2.490 20 0 CEADMP CCc1cc(NCC[N@H+](C)[C@@H](C)CC)nc(C)[nH+]1 ZINC000227865312 370386226 /nfs/dbraw/zinc/38/62/26/370386226.db2.gz FSLMJIWQEVMUSV-NSHDSACASA-N 2 1 250.390 2.490 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC[C@H]2CCO2)C1 ZINC000638133842 370327020 /nfs/dbraw/zinc/32/70/20/370327020.db2.gz KWABGEBGJMAHCX-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC[C@H]2CCO2)C1 ZINC000638133842 370327023 /nfs/dbraw/zinc/32/70/23/370327023.db2.gz KWABGEBGJMAHCX-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC[C@H]2CCO2)C1 ZINC000638133842 370327026 /nfs/dbraw/zinc/32/70/26/370327026.db2.gz KWABGEBGJMAHCX-CVEARBPZSA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+](CC)[C@H]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000354383235 370341702 /nfs/dbraw/zinc/34/17/02/370341702.db2.gz GPNWMIXSPKBPEY-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP COC[C@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](COC)C2)C1 ZINC000354394958 370344832 /nfs/dbraw/zinc/34/48/32/370344832.db2.gz DLZPDWPAKXCCNF-IRXDYDNUSA-N 2 1 298.471 2.093 20 0 CEADMP Cc1ccc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000354517494 370395717 /nfs/dbraw/zinc/39/57/17/370395717.db2.gz XZOPAOBVEGSOBA-HOCLYGCPSA-N 2 1 261.413 2.395 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000638303786 370434386 /nfs/dbraw/zinc/43/43/86/370434386.db2.gz VLCIJBORMHTEGP-OAGGEKHMSA-N 2 1 295.471 2.288 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000228497007 370405163 /nfs/dbraw/zinc/40/51/63/370405163.db2.gz POPAQAQHWHYJJI-ZYHUDNBSSA-N 2 1 280.799 2.444 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000228497007 370405167 /nfs/dbraw/zinc/40/51/67/370405167.db2.gz POPAQAQHWHYJJI-ZYHUDNBSSA-N 2 1 280.799 2.444 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638368951 370477832 /nfs/dbraw/zinc/47/78/32/370477832.db2.gz CIDRMYOZZBKBJC-OWCLPIDISA-N 2 1 295.471 2.003 20 0 CEADMP CO[C@](C)(C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C1CC1 ZINC000638336088 370452976 /nfs/dbraw/zinc/45/29/76/370452976.db2.gz XZLPAKFRSWFJJZ-IUODEOHRSA-N 2 1 265.401 2.232 20 0 CEADMP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000638358487 370468018 /nfs/dbraw/zinc/46/80/18/370468018.db2.gz CHPZAPDPZDNMQA-HNNXBMFYSA-N 2 1 292.423 2.482 20 0 CEADMP C[C@H](C[NH2+]C1CC(n2cccn2)C1)[N@@H+]1CCCC[C@H]1C ZINC000638360717 370470469 /nfs/dbraw/zinc/47/04/69/370470469.db2.gz KTMHRPNTTOOCBJ-WXLSXGNJSA-N 2 1 276.428 2.439 20 0 CEADMP C[C@H](C[NH2+]C1CC(n2cccn2)C1)[N@H+]1CCCC[C@H]1C ZINC000638360717 370470472 /nfs/dbraw/zinc/47/04/72/370470472.db2.gz KTMHRPNTTOOCBJ-WXLSXGNJSA-N 2 1 276.428 2.439 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccnc(OC)c2)C1 ZINC000638408748 370508143 /nfs/dbraw/zinc/50/81/43/370508143.db2.gz CXPUGLQSHBKEPM-ZBFHGGJFSA-N 2 1 291.439 2.343 20 0 CEADMP CCS[C@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000233843790 370525146 /nfs/dbraw/zinc/52/51/46/370525146.db2.gz YFFJZZZPGMWBBD-OLZOCXBDSA-N 2 1 253.415 2.455 20 0 CEADMP CCc1cnc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000234251151 370532258 /nfs/dbraw/zinc/53/22/58/370532258.db2.gz YCOZNHRBKNMURT-ZYHUDNBSSA-N 2 1 253.415 2.313 20 0 CEADMP CCC[C@@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)OC ZINC000638557664 370605123 /nfs/dbraw/zinc/60/51/23/370605123.db2.gz RQCCMBWDEWXTOI-HNNXBMFYSA-N 2 1 284.444 2.036 20 0 CEADMP CO[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCC1 ZINC000639119999 370996692 /nfs/dbraw/zinc/99/66/92/370996692.db2.gz KFENRZMKGZWDCE-RDJZCZTQSA-N 2 1 298.471 2.282 20 0 CEADMP c1ccc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000358296903 370999577 /nfs/dbraw/zinc/99/95/77/370999577.db2.gz FTVPREZWEPNLAR-JKSUJKDBSA-N 2 1 259.397 2.231 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000638565753 370608019 /nfs/dbraw/zinc/60/80/19/370608019.db2.gz TTYOBPXMYGCSAB-KGLIPLIRSA-N 2 1 279.428 2.341 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C2Cc3ccccc3C2)[C@@H](C)C1 ZINC000246885901 371025757 /nfs/dbraw/zinc/02/57/57/371025757.db2.gz DPCHQGIQQQJUOB-GUYCJALGSA-N 2 1 258.409 2.474 20 0 CEADMP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000358349372 371028000 /nfs/dbraw/zinc/02/80/00/371028000.db2.gz XSQZNWKUYRYGFC-KKUMJFAQSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000358349372 371028001 /nfs/dbraw/zinc/02/80/01/371028001.db2.gz XSQZNWKUYRYGFC-KKUMJFAQSA-N 2 1 254.418 2.264 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(C(C)C)c2)C1 ZINC000246908083 371030456 /nfs/dbraw/zinc/03/04/56/371030456.db2.gz GEURADJAFRENJD-ZIAGYGMSSA-N 2 1 264.417 2.456 20 0 CEADMP CC[C@](C)(C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)OC ZINC000639176748 371053555 /nfs/dbraw/zinc/05/35/55/371053555.db2.gz JVWUZAXSGHJMGW-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP CCOC1CC(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000639177539 371055947 /nfs/dbraw/zinc/05/59/47/371055947.db2.gz FDRQTNZRYVBSOJ-PPWQZUPISA-N 2 1 254.418 2.074 20 0 CEADMP CCOC1CC(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000639177539 371055957 /nfs/dbraw/zinc/05/59/57/371055957.db2.gz FDRQTNZRYVBSOJ-PPWQZUPISA-N 2 1 254.418 2.074 20 0 CEADMP CCOC1CC(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000639177539 371055961 /nfs/dbraw/zinc/05/59/61/371055961.db2.gz FDRQTNZRYVBSOJ-PPWQZUPISA-N 2 1 254.418 2.074 20 0 CEADMP CCOC1CC(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000639177539 371055965 /nfs/dbraw/zinc/05/59/65/371055965.db2.gz FDRQTNZRYVBSOJ-PPWQZUPISA-N 2 1 254.418 2.074 20 0 CEADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(C3CC3)no2)C1 ZINC000639179354 371057966 /nfs/dbraw/zinc/05/79/66/371057966.db2.gz SFTNBPZDMJVZNO-BBRMVZONSA-N 2 1 275.396 2.468 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(C3CC3)no2)C1 ZINC000639179354 371057969 /nfs/dbraw/zinc/05/79/69/371057969.db2.gz SFTNBPZDMJVZNO-BBRMVZONSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(C3CC3)no2)C1 ZINC000639179354 371057973 /nfs/dbraw/zinc/05/79/73/371057973.db2.gz SFTNBPZDMJVZNO-BBRMVZONSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(C3CC3)no2)C1 ZINC000639179354 371057978 /nfs/dbraw/zinc/05/79/78/371057978.db2.gz SFTNBPZDMJVZNO-BBRMVZONSA-N 2 1 275.396 2.468 20 0 CEADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccns2)C1 ZINC000639179476 371060055 /nfs/dbraw/zinc/06/00/55/371060055.db2.gz SYZBBCGTFOEPGW-WCQYABFASA-N 2 1 251.399 2.059 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccns2)C1 ZINC000639179476 371060061 /nfs/dbraw/zinc/06/00/61/371060061.db2.gz SYZBBCGTFOEPGW-WCQYABFASA-N 2 1 251.399 2.059 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccns2)C1 ZINC000639179476 371060064 /nfs/dbraw/zinc/06/00/64/371060064.db2.gz SYZBBCGTFOEPGW-WCQYABFASA-N 2 1 251.399 2.059 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccns2)C1 ZINC000639179476 371060069 /nfs/dbraw/zinc/06/00/69/371060069.db2.gz SYZBBCGTFOEPGW-WCQYABFASA-N 2 1 251.399 2.059 20 0 CEADMP C[C@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247116454 371066511 /nfs/dbraw/zinc/06/65/11/371066511.db2.gz XBVAKRXEQIHJIU-LXTVHRRPSA-N 2 1 297.487 2.340 20 0 CEADMP CCC1(C[NH2+]CC2=CC[N@@H+](C)CC2)CCOCC1 ZINC000358483815 371085269 /nfs/dbraw/zinc/08/52/69/371085269.db2.gz LTPRPTIAFQAIDX-UHFFFAOYSA-N 2 1 252.402 2.045 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000639258138 371158406 /nfs/dbraw/zinc/15/84/06/371158406.db2.gz ZYZHVGGCZQZZQH-GFCCVEGCSA-N 2 1 263.385 2.374 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000164708999 541847919 /nfs/dbraw/zinc/84/79/19/541847919.db2.gz BNUHXXCGORNWRH-AWEZNQCLSA-N 3 1 278.444 2.292 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248186262 371168022 /nfs/dbraw/zinc/16/80/22/371168022.db2.gz XKYBDXRDXUQGLV-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248186262 371168033 /nfs/dbraw/zinc/16/80/33/371168033.db2.gz XKYBDXRDXUQGLV-HOTGVXAUSA-N 2 1 268.445 2.465 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCCOCC(F)(F)F)CC[C@H]21 ZINC000248217552 371169703 /nfs/dbraw/zinc/16/97/03/371169703.db2.gz ZYNJLPLGNPUZEL-QWHCGFSZSA-N 2 1 294.361 2.372 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](CCCOCC(F)(F)F)CC[C@H]21 ZINC000248217552 371169707 /nfs/dbraw/zinc/16/97/07/371169707.db2.gz ZYNJLPLGNPUZEL-QWHCGFSZSA-N 2 1 294.361 2.372 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCOCC(F)(F)F)CC[C@H]21 ZINC000248217552 371169712 /nfs/dbraw/zinc/16/97/12/371169712.db2.gz ZYNJLPLGNPUZEL-QWHCGFSZSA-N 2 1 294.361 2.372 20 0 CEADMP CC[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@@H](CC)C3)COC2)C1 ZINC000248414963 371189414 /nfs/dbraw/zinc/18/94/14/371189414.db2.gz HMXZYCGIUROFFA-HZPDHXFCSA-N 2 1 280.456 2.467 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CC(n2cccn2)C1 ZINC000639289924 371192574 /nfs/dbraw/zinc/19/25/74/371192574.db2.gz OREJUCYETHVDCW-UHFFFAOYSA-N 2 1 264.417 2.154 20 0 CEADMP C[N@@H+](C[C@@H](O)CCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000248614741 371222178 /nfs/dbraw/zinc/22/21/78/371222178.db2.gz YPKMLVITFCMEDL-ROUUACIJSA-N 2 1 290.451 2.254 20 0 CEADMP C[NH+](C[C@@H](O)CCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000248614741 371222181 /nfs/dbraw/zinc/22/21/81/371222181.db2.gz YPKMLVITFCMEDL-ROUUACIJSA-N 2 1 290.451 2.254 20 0 CEADMP C[NH+](C[C@@H](O)CCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000248614741 371222184 /nfs/dbraw/zinc/22/21/84/371222184.db2.gz YPKMLVITFCMEDL-ROUUACIJSA-N 2 1 290.451 2.254 20 0 CEADMP COCC1([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCCCC1 ZINC000639336690 371246863 /nfs/dbraw/zinc/24/68/63/371246863.db2.gz FJDZZYKTWWGKHX-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP COCC1([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000639336690 371246868 /nfs/dbraw/zinc/24/68/68/371246868.db2.gz FJDZZYKTWWGKHX-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000248843632 371254439 /nfs/dbraw/zinc/25/44/39/371254439.db2.gz ORXFJUJKDHFCLA-JOCBIADPSA-N 2 1 290.451 2.217 20 0 CEADMP Cn1cc(CCC[NH+]2CCC(C)([NH+]3CCCC3)CC2)cn1 ZINC000639375609 371286058 /nfs/dbraw/zinc/28/60/58/371286058.db2.gz YECIRNRURALGAG-UHFFFAOYSA-N 2 1 290.455 2.303 20 0 CEADMP CC[NH+](CC)CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000249110202 371296204 /nfs/dbraw/zinc/29/62/04/371296204.db2.gz VTLWAZZZGDVPIT-JKSUJKDBSA-N 2 1 267.461 2.134 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc[nH]c(=O)c1 ZINC000639500505 371366573 /nfs/dbraw/zinc/36/65/73/371366573.db2.gz NTOOSYAZEUINOR-AWEZNQCLSA-N 2 1 263.385 2.093 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc[nH]c(=O)c1 ZINC000639500505 371366576 /nfs/dbraw/zinc/36/65/76/371366576.db2.gz NTOOSYAZEUINOR-AWEZNQCLSA-N 2 1 263.385 2.093 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc[nH]c(=O)c1 ZINC000639500505 371366580 /nfs/dbraw/zinc/36/65/80/371366580.db2.gz NTOOSYAZEUINOR-AWEZNQCLSA-N 2 1 263.385 2.093 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCO[C@@H]2C)CC1 ZINC000639474428 371347248 /nfs/dbraw/zinc/34/72/48/371347248.db2.gz UDHQWDQLEYAUIA-ZBFHGGJFSA-N 2 1 268.445 2.464 20 0 CEADMP COc1cc(C)c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000359227655 371386630 /nfs/dbraw/zinc/38/66/30/371386630.db2.gz OVUUWAYWGNJPEY-OAHLLOKOSA-N 2 1 291.439 2.481 20 0 CEADMP COc1cc(C)c(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)n1 ZINC000359227655 371386633 /nfs/dbraw/zinc/38/66/33/371386633.db2.gz OVUUWAYWGNJPEY-OAHLLOKOSA-N 2 1 291.439 2.481 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)n1 ZINC000359227655 371386634 /nfs/dbraw/zinc/38/66/34/371386634.db2.gz OVUUWAYWGNJPEY-OAHLLOKOSA-N 2 1 291.439 2.481 20 0 CEADMP COc1cc(C)c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000359227655 371386636 /nfs/dbraw/zinc/38/66/36/371386636.db2.gz OVUUWAYWGNJPEY-OAHLLOKOSA-N 2 1 291.439 2.481 20 0 CEADMP COc1cc(C)c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000359227655 371386639 /nfs/dbraw/zinc/38/66/39/371386639.db2.gz OVUUWAYWGNJPEY-OAHLLOKOSA-N 2 1 291.439 2.481 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000250645803 371388654 /nfs/dbraw/zinc/38/86/54/371388654.db2.gz KQIONJRKHNGWJG-OKZBNKHCSA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000250645803 371388659 /nfs/dbraw/zinc/38/86/59/371388659.db2.gz KQIONJRKHNGWJG-OKZBNKHCSA-N 2 1 287.451 2.368 20 0 CEADMP c1ccc2c(c1)C[C@H](C[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)O2 ZINC000250843671 371392663 /nfs/dbraw/zinc/39/26/63/371392663.db2.gz HBPYKMBXAXXPMO-HRCADAONSA-N 2 1 272.392 2.207 20 0 CEADMP CC1(C)CC[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639505749 371369642 /nfs/dbraw/zinc/36/96/42/371369642.db2.gz UFVKQXVNRPVJRO-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP CC1(C)CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639505749 371369647 /nfs/dbraw/zinc/36/96/47/371369647.db2.gz UFVKQXVNRPVJRO-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP CC1(C)CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639505749 371369650 /nfs/dbraw/zinc/36/96/50/371369650.db2.gz UFVKQXVNRPVJRO-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP CC1(C)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639505749 371369654 /nfs/dbraw/zinc/36/96/54/371369654.db2.gz UFVKQXVNRPVJRO-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP CC1(C)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639505749 371369658 /nfs/dbraw/zinc/36/96/58/371369658.db2.gz UFVKQXVNRPVJRO-SFHVURJKSA-N 2 1 288.435 2.355 20 0 CEADMP O[C@@]1(C[NH2+]C2(C3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639577907 371418865 /nfs/dbraw/zinc/41/88/65/371418865.db2.gz MACMHUAJPVIDLW-QGZVFWFLSA-N 2 1 286.419 2.156 20 0 CEADMP O[C@@]1(C[NH2+]C2(C3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639577907 371418869 /nfs/dbraw/zinc/41/88/69/371418869.db2.gz MACMHUAJPVIDLW-QGZVFWFLSA-N 2 1 286.419 2.156 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc[nH]c(=O)c2)C[C@H]1C ZINC000639509997 371372164 /nfs/dbraw/zinc/37/21/64/371372164.db2.gz RYZGGUUZEGVAHK-TZMCWYRMSA-N 2 1 263.385 2.092 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc[nH]c(=O)c2)C[C@H]1C ZINC000639509997 371372168 /nfs/dbraw/zinc/37/21/68/371372168.db2.gz RYZGGUUZEGVAHK-TZMCWYRMSA-N 2 1 263.385 2.092 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc[nH]c(=O)c2)C[C@H]1C ZINC000639509997 371372176 /nfs/dbraw/zinc/37/21/76/371372176.db2.gz RYZGGUUZEGVAHK-TZMCWYRMSA-N 2 1 263.385 2.092 20 0 CEADMP COC[C@H](C)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000249966452 371373129 /nfs/dbraw/zinc/37/31/29/371373129.db2.gz WXXWULDVMLPTFA-HUUCEWRRSA-N 2 1 254.418 2.219 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CCSCC2)C1 ZINC000250139363 371378623 /nfs/dbraw/zinc/37/86/23/371378623.db2.gz YSVSFPWMZYPCOX-CHWSQXEVSA-N 2 1 256.459 2.450 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC(C)(C)CO3)CC[C@@H]21 ZINC000639518305 371379032 /nfs/dbraw/zinc/37/90/32/371379032.db2.gz DUQDRYYKOLIYKB-KFWWJZLASA-N 2 1 266.429 2.218 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1OCO2 ZINC000250216507 371379853 /nfs/dbraw/zinc/37/98/53/371379853.db2.gz PGLXYMSTQVDNMK-KGLIPLIRSA-N 2 1 274.364 2.132 20 0 CEADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1OCO2 ZINC000250216507 371379860 /nfs/dbraw/zinc/37/98/60/371379860.db2.gz PGLXYMSTQVDNMK-KGLIPLIRSA-N 2 1 274.364 2.132 20 0 CEADMP C[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252539048 371454666 /nfs/dbraw/zinc/45/46/66/371454666.db2.gz BCWCDAYGSWCXIX-NJAFHUGGSA-N 2 1 288.435 2.461 20 0 CEADMP C[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252539048 371454671 /nfs/dbraw/zinc/45/46/71/371454671.db2.gz BCWCDAYGSWCXIX-NJAFHUGGSA-N 2 1 288.435 2.461 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000252712306 371473095 /nfs/dbraw/zinc/47/30/95/371473095.db2.gz MBASNFKEGLIVIZ-IINYFYTJSA-N 2 1 254.324 2.395 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000252712306 371473099 /nfs/dbraw/zinc/47/30/99/371473099.db2.gz MBASNFKEGLIVIZ-IINYFYTJSA-N 2 1 254.324 2.395 20 0 CEADMP CC[N@H+]1CC[C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000252785467 371479786 /nfs/dbraw/zinc/47/97/86/371479786.db2.gz PCRJVADIPKOMES-WQVCFCJDSA-N 2 1 259.397 2.063 20 0 CEADMP CC[N@@H+]1[C@H](C)CN(CC[C@@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000639744832 371530077 /nfs/dbraw/zinc/53/00/77/371530077.db2.gz SVPHSTZPBDESSV-XHSDSOJGSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1[C@H](C)CN(CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1C ZINC000639744832 371530087 /nfs/dbraw/zinc/53/00/87/371530087.db2.gz SVPHSTZPBDESSV-XHSDSOJGSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1[C@H](C)CN(CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1C ZINC000639744832 371530097 /nfs/dbraw/zinc/53/00/97/371530097.db2.gz SVPHSTZPBDESSV-XHSDSOJGSA-N 2 1 267.461 2.275 20 0 CEADMP C[N@H+]1CCN(CC[NH+]2CCCCC2)C[C@H]1C(C)(C)C ZINC000639746428 371534990 /nfs/dbraw/zinc/53/49/90/371534990.db2.gz GQCBSIZRIZVXGR-HNNXBMFYSA-N 2 1 267.461 2.134 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC3(C2)CC[NH+](C)CC3)CCO1 ZINC000639754573 371544342 /nfs/dbraw/zinc/54/43/42/371544342.db2.gz CITOOJDIMPVDDJ-HUUCEWRRSA-N 2 1 266.429 2.219 20 0 CEADMP Cc1ccncc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756859 371546803 /nfs/dbraw/zinc/54/68/03/371546803.db2.gz DIQCNPZWCIYICW-UHFFFAOYSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756266 371547056 /nfs/dbraw/zinc/54/70/56/371547056.db2.gz UABRTMQTJKMNGL-UHFFFAOYSA-N 2 1 279.453 2.412 20 0 CEADMP COCc1nc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639758325 371549075 /nfs/dbraw/zinc/54/90/75/371549075.db2.gz TYFHUEAHGOOCML-UHFFFAOYSA-N 2 1 295.452 2.207 20 0 CEADMP COCc1nc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639758325 371549077 /nfs/dbraw/zinc/54/90/77/371549077.db2.gz TYFHUEAHGOOCML-UHFFFAOYSA-N 2 1 295.452 2.207 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCc2ccsc2)C1 ZINC000639765171 371552500 /nfs/dbraw/zinc/55/25/00/371552500.db2.gz HSLMICJGSKLRST-OAHLLOKOSA-N 2 1 282.453 2.069 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCc2ccsc2)C1 ZINC000639765171 371552506 /nfs/dbraw/zinc/55/25/06/371552506.db2.gz HSLMICJGSKLRST-OAHLLOKOSA-N 2 1 282.453 2.069 20 0 CEADMP c1cc(N2CCC[N@H+](CCOC3CCC3)CC2)cc[nH+]1 ZINC000639684106 371493133 /nfs/dbraw/zinc/49/31/33/371493133.db2.gz RBZCVDCIQVQWNM-UHFFFAOYSA-N 2 1 275.396 2.163 20 0 CEADMP CC(C)(C)[C@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684195 371493565 /nfs/dbraw/zinc/49/35/65/371493565.db2.gz TUIRNGGNOXWWAK-OAHLLOKOSA-N 2 1 277.412 2.001 20 0 CEADMP Cc1cnccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683773 371494198 /nfs/dbraw/zinc/49/41/98/371494198.db2.gz BIPGJOKPBDRQBR-UHFFFAOYSA-N 2 1 282.391 2.497 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000639766819 371555717 /nfs/dbraw/zinc/55/57/17/371555717.db2.gz OZURENNGENTKKN-OKZBNKHCSA-N 2 1 288.435 2.179 20 0 CEADMP OC1CC[NH+](CCC[NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683766636 541856000 /nfs/dbraw/zinc/85/60/00/541856000.db2.gz HAZFVSQQVCPXGJ-UHFFFAOYSA-N 2 1 299.418 2.171 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000344030875 217018415 /nfs/dbraw/zinc/01/84/15/217018415.db2.gz GCVAWPGUQYJIPT-ARILJUKYSA-N 2 1 266.429 2.262 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCCC2 ZINC000361011809 371597769 /nfs/dbraw/zinc/59/77/69/371597769.db2.gz VTCRMLRYYKYHHU-KGLIPLIRSA-N 2 1 288.439 2.015 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCCC2 ZINC000361011809 371597775 /nfs/dbraw/zinc/59/77/75/371597775.db2.gz VTCRMLRYYKYHHU-KGLIPLIRSA-N 2 1 288.439 2.015 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000261545743 371641568 /nfs/dbraw/zinc/64/15/68/371641568.db2.gz KHQRDQJOLGKLLW-OKYOBFRVSA-N 2 1 299.462 2.239 20 0 CEADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261546691 371641742 /nfs/dbraw/zinc/64/17/42/371641742.db2.gz LFPZLQJKFIOPBX-YJBOKZPZSA-N 2 1 287.451 2.239 20 0 CEADMP CC(C)n1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261569576 371653872 /nfs/dbraw/zinc/65/38/72/371653872.db2.gz MTKYNBDIRFPGBQ-SOUVJXGZSA-N 2 1 262.401 2.023 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](CCCC(=O)N(C)C)CC1 ZINC000639987090 371715642 /nfs/dbraw/zinc/71/56/42/371715642.db2.gz WHZVVCHQQNSNNU-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP CCOCC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988597 371717127 /nfs/dbraw/zinc/71/71/27/371717127.db2.gz UZJKXXZTSRITCO-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261747474 371718072 /nfs/dbraw/zinc/71/80/72/371718072.db2.gz BXEOYATUJUTVIK-HRCADAONSA-N 2 1 266.429 2.002 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000261758907 371721630 /nfs/dbraw/zinc/72/16/30/371721630.db2.gz CVUZEGIEIWZTST-RYUDHWBXSA-N 2 1 290.436 2.318 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261783147 371730484 /nfs/dbraw/zinc/73/04/84/371730484.db2.gz PTDOLDQCKFQHOF-CVEARBPZSA-N 2 1 274.408 2.366 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261783147 371730489 /nfs/dbraw/zinc/73/04/89/371730489.db2.gz PTDOLDQCKFQHOF-CVEARBPZSA-N 2 1 274.408 2.366 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261783151 371730955 /nfs/dbraw/zinc/73/09/55/371730955.db2.gz PTDOLDQCKFQHOF-HZPDHXFCSA-N 2 1 274.408 2.366 20 0 CEADMP Cc1ccc(C)c(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261783151 371730957 /nfs/dbraw/zinc/73/09/57/371730957.db2.gz PTDOLDQCKFQHOF-HZPDHXFCSA-N 2 1 274.408 2.366 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccnn1-c1ccc(F)cc1 ZINC000261799927 371735988 /nfs/dbraw/zinc/73/59/88/371735988.db2.gz GXFBWFOSFJVBIZ-QWHCGFSZSA-N 2 1 288.370 2.181 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccnn1-c1ccc(F)cc1 ZINC000261799927 371735995 /nfs/dbraw/zinc/73/59/95/371735995.db2.gz GXFBWFOSFJVBIZ-QWHCGFSZSA-N 2 1 288.370 2.181 20 0 CEADMP c1cnc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000261630798 371683284 /nfs/dbraw/zinc/68/32/84/371683284.db2.gz BEQFHHRDRQFGFL-HZPDHXFCSA-N 2 1 267.376 2.276 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000361264542 371749009 /nfs/dbraw/zinc/74/90/09/371749009.db2.gz ZQNHJNBQSDNTGG-ZWNOBZJWSA-N 2 1 283.335 2.049 20 0 CEADMP CCOC(=O)C1CCC([N@@H+](CC)CC2CC[NH2+]CC2)CC1 ZINC000261994119 371792726 /nfs/dbraw/zinc/79/27/26/371792726.db2.gz SSHXVAWMBQEECX-UHFFFAOYSA-N 2 1 296.455 2.430 20 0 CEADMP c1cc(OCC2CC2)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261950792 371781332 /nfs/dbraw/zinc/78/13/32/371781332.db2.gz NYNZYSZYOMGHIN-IYBDPMFKSA-N 2 1 272.392 2.127 20 0 CEADMP c1cc(OCC2CC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261950792 371781339 /nfs/dbraw/zinc/78/13/39/371781339.db2.gz NYNZYSZYOMGHIN-IYBDPMFKSA-N 2 1 272.392 2.127 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000361325495 371784108 /nfs/dbraw/zinc/78/41/08/371784108.db2.gz NJEDTAFAWDEHEP-HOTGVXAUSA-N 2 1 265.445 2.031 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000353345823 220037844 /nfs/dbraw/zinc/03/78/44/220037844.db2.gz LLZPJGQCULGYBG-MCIONIFRSA-N 2 1 282.428 2.323 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000353345823 220037845 /nfs/dbraw/zinc/03/78/45/220037845.db2.gz LLZPJGQCULGYBG-MCIONIFRSA-N 2 1 282.428 2.323 20 0 CEADMP COC1(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CCCC1 ZINC000361499384 371880245 /nfs/dbraw/zinc/88/02/45/371880245.db2.gz YWSLGYNHAKAVOS-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP COC1(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)CCCC1 ZINC000361499384 371880251 /nfs/dbraw/zinc/88/02/51/371880251.db2.gz YWSLGYNHAKAVOS-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP COC1(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CCCC1 ZINC000361499384 371880254 /nfs/dbraw/zinc/88/02/54/371880254.db2.gz YWSLGYNHAKAVOS-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CC[N@H+](CCCCn1cc[nH+]c1C)C[C@@H](C)OC ZINC000361562954 371927887 /nfs/dbraw/zinc/92/78/87/371927887.db2.gz HAIWFSRQBYCBOH-CYBMUJFWSA-N 2 1 253.390 2.329 20 0 CEADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C[C@@H](C)OC ZINC000361562954 371927891 /nfs/dbraw/zinc/92/78/91/371927891.db2.gz HAIWFSRQBYCBOH-CYBMUJFWSA-N 2 1 253.390 2.329 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263076544 371929710 /nfs/dbraw/zinc/92/97/10/371929710.db2.gz XCNHMEQXZVJXSW-DLTWYDFYSA-N 2 1 295.471 2.131 20 0 CEADMP C[N@@H+](CCCC1CCCC1)C1CCN(CCO)CC1 ZINC000361621257 371982270 /nfs/dbraw/zinc/98/22/70/371982270.db2.gz VCQQTZAPRNYPRY-UHFFFAOYSA-N 2 1 268.445 2.345 20 0 CEADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000361660639 372012003 /nfs/dbraw/zinc/01/20/03/372012003.db2.gz BZUZVYIEYRLPBL-QLFBSQMISA-N 2 1 276.428 2.141 20 0 CEADMP COC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000361928066 372132860 /nfs/dbraw/zinc/13/28/60/372132860.db2.gz UZLBXUVZDNYRSB-XSCHDIRWSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1C ZINC000268811042 372233582 /nfs/dbraw/zinc/23/35/82/372233582.db2.gz FBCFUZINZDAXRK-NVXWUHKLSA-N 2 1 276.424 2.411 20 0 CEADMP CC[C@@H](C(=O)NCc1cccc(C[N@@H+](C)CC)c1)[NH+](C)C ZINC000268714732 372191160 /nfs/dbraw/zinc/19/11/60/372191160.db2.gz FYAZOAROELMVJU-INIZCTEOSA-N 2 1 291.439 2.095 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)N2CCC[C@H]2C)C1 ZINC000362391613 372346692 /nfs/dbraw/zinc/34/66/92/372346692.db2.gz SDPRZSRUJIZFNP-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)[C@@H]([NH3+])c1cn(C[C@@H]2CCCC[N@H+]2C(C)C)nn1 ZINC000641167087 372363261 /nfs/dbraw/zinc/36/32/61/372363261.db2.gz BACYJQWOOVDEOD-DZGCQCFKSA-N 2 1 279.432 2.197 20 0 CEADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CC(C)C ZINC000362763034 372515848 /nfs/dbraw/zinc/51/58/48/372515848.db2.gz OSPRXXOAFOBXFY-PMPSAXMXSA-N 2 1 297.487 2.057 20 0 CEADMP C[C@@H](CNCc1ccncc1N)[N@H+](C)Cc1ccccc1 ZINC000641720866 372656940 /nfs/dbraw/zinc/65/69/40/372656940.db2.gz VFYBHTVHINJVTM-AWEZNQCLSA-N 2 1 284.407 2.274 20 0 CEADMP Nc1cnccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000641732711 372668707 /nfs/dbraw/zinc/66/87/07/372668707.db2.gz LRKUCSLHGAUFON-UHFFFAOYSA-N 2 1 274.412 2.160 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N(C)CC[N@H+](C)C2CC2)n1 ZINC000364209001 372691759 /nfs/dbraw/zinc/69/17/59/372691759.db2.gz WKZHYGJFSYNNCQ-UHFFFAOYSA-N 2 1 285.395 2.106 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N(C)CC[N@@H+](C)C2CC2)n1 ZINC000364209001 372691764 /nfs/dbraw/zinc/69/17/64/372691764.db2.gz WKZHYGJFSYNNCQ-UHFFFAOYSA-N 2 1 285.395 2.106 20 0 CEADMP CCc1ccc(C[NH2+][C@H](CO)CC[NH+](CC)CC)s1 ZINC000641771567 372714546 /nfs/dbraw/zinc/71/45/46/372714546.db2.gz JCRTWPVUVZHTKG-ZDUSSCGKSA-N 2 1 284.469 2.493 20 0 CEADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(C)cc1C ZINC000641772838 372715581 /nfs/dbraw/zinc/71/55/81/372715581.db2.gz TWFOLBDFALPMBN-QGZVFWFLSA-N 2 1 278.440 2.486 20 0 CEADMP Cc1sc(NC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c(C)c1C ZINC000641801919 372744352 /nfs/dbraw/zinc/74/43/52/372744352.db2.gz GWNAMIOQJNMSKZ-RYUDHWBXSA-N 2 1 295.452 2.327 20 0 CEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000641802016 372746681 /nfs/dbraw/zinc/74/66/81/372746681.db2.gz XQPFTBFPPWCVLJ-GJZGRUSLSA-N 2 1 282.391 2.359 20 0 CEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)O1 ZINC000364533357 372748244 /nfs/dbraw/zinc/74/82/44/372748244.db2.gz KQQVFBCFPYNFQU-OVYGPGRDSA-N 2 1 296.455 2.033 20 0 CEADMP C[C@@H]1CC[C@@H](CN)[N@@H+](CCCC2CC[NH2+]CC2)[C@H]1C ZINC000641806271 372751871 /nfs/dbraw/zinc/75/18/71/372751871.db2.gz IKMRITBZXTXVIJ-YCPHGPKFSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH3+])N(CCCC2CC[NH2+]CC2)[C@H]1C ZINC000641806271 372751879 /nfs/dbraw/zinc/75/18/79/372751879.db2.gz IKMRITBZXTXVIJ-YCPHGPKFSA-N 2 1 267.461 2.214 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000364357859 372736635 /nfs/dbraw/zinc/73/66/35/372736635.db2.gz WEQKKWOXCKUDEA-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000364357859 372736638 /nfs/dbraw/zinc/73/66/38/372736638.db2.gz WEQKKWOXCKUDEA-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000365324920 372828736 /nfs/dbraw/zinc/82/87/36/372828736.db2.gz PROUFTGEFKKHLT-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCSCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000365568921 372895183 /nfs/dbraw/zinc/89/51/83/372895183.db2.gz HEGXNZKEGYHISF-HZSPNIEDSA-N 2 1 254.443 2.156 20 0 CEADMP CCSCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365568921 372895190 /nfs/dbraw/zinc/89/51/90/372895190.db2.gz HEGXNZKEGYHISF-HZSPNIEDSA-N 2 1 254.443 2.156 20 0 CEADMP CCSCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365568921 372895196 /nfs/dbraw/zinc/89/51/96/372895196.db2.gz HEGXNZKEGYHISF-HZSPNIEDSA-N 2 1 254.443 2.156 20 0 CEADMP c1cc2c(nc[nH+]c2N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000643044193 372932927 /nfs/dbraw/zinc/93/29/27/372932927.db2.gz OTYNUDOEHQQERT-STQMWFEESA-N 2 1 285.395 2.174 20 0 CEADMP C[C@@H](CC1CC1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344747741 217298333 /nfs/dbraw/zinc/29/83/33/217298333.db2.gz NNZQVZSPRULTDT-MAUKXSAKSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H](CC1CC1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344747741 217298336 /nfs/dbraw/zinc/29/83/36/217298336.db2.gz NNZQVZSPRULTDT-MAUKXSAKSA-N 2 1 288.435 2.402 20 0 CEADMP COCC[NH+]1CCC(Nc2cc(C3CC3)cc[nH+]2)CC1 ZINC000353543478 220149751 /nfs/dbraw/zinc/14/97/51/220149751.db2.gz ADYGALBXRGTCER-UHFFFAOYSA-N 2 1 275.396 2.482 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccnn1C ZINC000643484128 373151080 /nfs/dbraw/zinc/15/10/80/373151080.db2.gz APHRMCPVOLGFMI-CHWSQXEVSA-N 2 1 287.411 2.318 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1(C)C ZINC000643502964 373162559 /nfs/dbraw/zinc/16/25/59/373162559.db2.gz WFQSREYFQNXMFZ-HZSPNIEDSA-N 2 1 254.418 2.310 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCCc2cccnc21)[C@H]1CCC[NH2+]C1 ZINC000643503456 373162727 /nfs/dbraw/zinc/16/27/27/373162727.db2.gz BFRDNBGWAQNKMK-AEGPPILISA-N 2 1 259.397 2.437 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000643511412 373172389 /nfs/dbraw/zinc/17/23/89/373172389.db2.gz GYRAGPGNIHVEFJ-KFWWJZLASA-N 2 1 254.418 2.441 20 0 CEADMP C[C@@H](NCC[NH2+]C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643507726 373169862 /nfs/dbraw/zinc/16/98/62/373169862.db2.gz NRCJOSRTZCLHIY-WBVHZDCISA-N 2 1 287.451 2.239 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000366769094 373122301 /nfs/dbraw/zinc/12/23/01/373122301.db2.gz ZVWRBFJUWWSTRG-HUUCEWRRSA-N 2 1 252.402 2.116 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000366769094 373122315 /nfs/dbraw/zinc/12/23/15/373122315.db2.gz ZVWRBFJUWWSTRG-HUUCEWRRSA-N 2 1 252.402 2.116 20 0 CEADMP C[NH+]1CCC2(CCCN(c3[nH+]cnc4[nH]ccc43)C2)CC1 ZINC000366837423 373126719 /nfs/dbraw/zinc/12/67/19/373126719.db2.gz SSDUEIZIOXTJOO-UHFFFAOYSA-N 2 1 285.395 2.270 20 0 CEADMP [NH3+][C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000643462875 373129405 /nfs/dbraw/zinc/12/94/05/373129405.db2.gz QOFWSLYSJFZIFJ-IAOVAPTHSA-N 2 1 271.408 2.205 20 0 CEADMP c1c[nH]c([C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc2)n1 ZINC000643520259 373176414 /nfs/dbraw/zinc/17/64/14/373176414.db2.gz AFTGKVFXXWOZSW-HNNXBMFYSA-N 2 1 268.364 2.008 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000643525676 373181141 /nfs/dbraw/zinc/18/11/41/373181141.db2.gz AKAZTHAUMBNXCM-CMPLNLGQSA-N 2 1 252.358 2.092 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)C1C[NH2+]C1 ZINC000643533104 373189225 /nfs/dbraw/zinc/18/92/25/373189225.db2.gz YTVAVXXZOUFZNI-QMTHXVAHSA-N 2 1 275.396 2.069 20 0 CEADMP c1cn(CCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cn1 ZINC000271902484 373206147 /nfs/dbraw/zinc/20/61/47/373206147.db2.gz HDDZHWQFUTWMPV-INIZCTEOSA-N 2 1 271.364 2.347 20 0 CEADMP c1cn(CCC[N@H+]2CCO[C@H](c3ccccc3)C2)cn1 ZINC000271902484 373206157 /nfs/dbraw/zinc/20/61/57/373206157.db2.gz HDDZHWQFUTWMPV-INIZCTEOSA-N 2 1 271.364 2.347 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)[C@H]2CCC[C@H]21 ZINC000643548092 373205965 /nfs/dbraw/zinc/20/59/65/373205965.db2.gz MFTOREHGKVTYNJ-LVQVYYBASA-N 2 1 277.456 2.124 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)[C@H]2CCC[C@H]21 ZINC000643548092 373205972 /nfs/dbraw/zinc/20/59/72/373205972.db2.gz MFTOREHGKVTYNJ-LVQVYYBASA-N 3 1 277.456 2.124 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)[C@H]2CCC[C@H]21 ZINC000643548092 373205980 /nfs/dbraw/zinc/20/59/80/373205980.db2.gz MFTOREHGKVTYNJ-LVQVYYBASA-N 3 1 277.456 2.124 20 0 CEADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643548469 373206274 /nfs/dbraw/zinc/20/62/74/373206274.db2.gz PWMIXDVHUPAKSI-OCCSQVGLSA-N 2 1 274.412 2.062 20 0 CEADMP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000368611463 373250972 /nfs/dbraw/zinc/25/09/72/373250972.db2.gz DFHGFLVDBNNRLM-CFVMTHIKSA-N 2 1 263.385 2.254 20 0 CEADMP C[C@H]([NH2+][C@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272274779 373400932 /nfs/dbraw/zinc/40/09/32/373400932.db2.gz CAOBBDFHMPUKBP-UAGQMJEPSA-N 2 1 274.408 2.276 20 0 CEADMP CC(C)SCC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000369505721 373437813 /nfs/dbraw/zinc/43/78/13/373437813.db2.gz ZWLXKTPXYUHPMC-MRXNPFEDSA-N 2 1 299.528 2.230 20 0 CEADMP CC(C)SCC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000369505721 373437818 /nfs/dbraw/zinc/43/78/18/373437818.db2.gz ZWLXKTPXYUHPMC-MRXNPFEDSA-N 2 1 299.528 2.230 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCCSC1 ZINC000272416829 373473008 /nfs/dbraw/zinc/47/30/08/373473008.db2.gz ASSCYKANXHQNHH-LBPRGKRZSA-N 2 1 251.399 2.133 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)[C@@H](C)C1 ZINC000644550178 373524731 /nfs/dbraw/zinc/52/47/31/373524731.db2.gz MVQZPLFABQYLHX-QNWHQSFQSA-N 2 1 294.361 2.152 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2F)CC[N@H+]1C ZINC000644574886 373539364 /nfs/dbraw/zinc/53/93/64/373539364.db2.gz HGJZRUYINDGCNO-OLZOCXBDSA-N 2 1 293.386 2.227 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Cn2ccnc2C)[C@H](C)C1 ZINC000247185199 220220290 /nfs/dbraw/zinc/22/02/90/220220290.db2.gz ZLMRHYPJYSYUBI-LZWOXQAQSA-N 2 1 278.444 2.148 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000247185199 220220294 /nfs/dbraw/zinc/22/02/94/220220294.db2.gz ZLMRHYPJYSYUBI-LZWOXQAQSA-N 3 1 278.444 2.148 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000247185199 220220295 /nfs/dbraw/zinc/22/02/95/220220295.db2.gz ZLMRHYPJYSYUBI-LZWOXQAQSA-N 3 1 278.444 2.148 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(c2cccc(-n3ccnc3)n2)C1 ZINC000370608430 373695755 /nfs/dbraw/zinc/69/57/55/373695755.db2.gz LOIGNGDFBUGWDG-CQSZACIVSA-N 2 1 285.395 2.045 20 0 CEADMP CCc1nc(C(C)C)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000645078496 373842620 /nfs/dbraw/zinc/84/26/20/373842620.db2.gz LXZKQJVKIXHYNV-HUUCEWRRSA-N 2 1 273.424 2.419 20 0 CEADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(C)c1 ZINC000353669793 220242189 /nfs/dbraw/zinc/24/21/89/220242189.db2.gz FGYMIOVNXPVRDG-HZPDHXFCSA-N 2 1 262.397 2.102 20 0 CEADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(C)c1 ZINC000353669793 220242192 /nfs/dbraw/zinc/24/21/92/220242192.db2.gz FGYMIOVNXPVRDG-HZPDHXFCSA-N 2 1 262.397 2.102 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000274801861 374055116 /nfs/dbraw/zinc/05/51/16/374055116.db2.gz ORFJJKRLHUTKBU-ZDUSSCGKSA-N 2 1 289.423 2.025 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000645560936 374109051 /nfs/dbraw/zinc/10/90/51/374109051.db2.gz IJMYHXHPOBEWFM-APHBMKBZSA-N 2 1 287.407 2.063 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000372498408 374143467 /nfs/dbraw/zinc/14/34/67/374143467.db2.gz VRNJKXQRXROSAJ-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000372805186 374201432 /nfs/dbraw/zinc/20/14/32/374201432.db2.gz NUUMQRRZTIDLHG-MRXNPFEDSA-N 2 1 298.471 2.236 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@H]2CCOC2)[C@H](C)C1 ZINC000645830311 374211685 /nfs/dbraw/zinc/21/16/85/374211685.db2.gz LZBUVRFCCGQXRX-PMPSAXMXSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC[C@H]2CCOC2)[C@H](C)C1 ZINC000645830311 374211688 /nfs/dbraw/zinc/21/16/88/374211688.db2.gz LZBUVRFCCGQXRX-PMPSAXMXSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC[C@H]2CCOC2)[C@H](C)C1 ZINC000645830311 374211692 /nfs/dbraw/zinc/21/16/92/374211692.db2.gz LZBUVRFCCGQXRX-PMPSAXMXSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CCN(C[C@@H](C)CNc2cc[nH+]c(C)c2)CC1 ZINC000276654434 374253847 /nfs/dbraw/zinc/25/38/47/374253847.db2.gz ZPFYLQJWOMISQR-AWEZNQCLSA-N 2 1 276.428 2.076 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(n2ccnc2)CC1 ZINC000373111605 374270439 /nfs/dbraw/zinc/27/04/39/374270439.db2.gz VQGKHZGHQBZRGE-HNNXBMFYSA-N 3 1 276.428 2.394 20 0 CEADMP CN1CCCC[C@H]1CC[NH+]1CCC(n2ccnc2)CC1 ZINC000373111605 374270449 /nfs/dbraw/zinc/27/04/49/374270449.db2.gz VQGKHZGHQBZRGE-HNNXBMFYSA-N 3 1 276.428 2.394 20 0 CEADMP COC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)c(F)c1 ZINC000276713820 374276803 /nfs/dbraw/zinc/27/68/03/374276803.db2.gz VZMJQMZCSLRHPR-HNNXBMFYSA-N 2 1 295.333 2.218 20 0 CEADMP COC1(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCOCC1 ZINC000373033948 374249380 /nfs/dbraw/zinc/24/93/80/374249380.db2.gz HGRJGFAIOBQABF-INIZCTEOSA-N 2 1 296.455 2.132 20 0 CEADMP COCCSCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000373233874 374301578 /nfs/dbraw/zinc/30/15/78/374301578.db2.gz WSEMALYKWZTUIC-LSDHHAIUSA-N 2 1 286.485 2.172 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000645948946 374306645 /nfs/dbraw/zinc/30/66/45/374306645.db2.gz LKLYWNITIVUSRN-HOTGVXAUSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000645948946 374306655 /nfs/dbraw/zinc/30/66/55/374306655.db2.gz LKLYWNITIVUSRN-HOTGVXAUSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1nccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000373606597 374390382 /nfs/dbraw/zinc/39/03/82/374390382.db2.gz DUBJJCFGXVQRPD-YOEHRIQHSA-N 2 1 286.423 2.234 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCc3ccccn3)C2)CC1 ZINC000374165154 374504882 /nfs/dbraw/zinc/50/48/82/374504882.db2.gz SMYHDPIZWRSIDC-UHFFFAOYSA-N 2 1 273.424 2.432 20 0 CEADMP CC(=O)CC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374295744 374534834 /nfs/dbraw/zinc/53/48/34/374534834.db2.gz KPEGYOOBTNOEGB-CQSZACIVSA-N 2 1 264.413 2.162 20 0 CEADMP CO[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000374662874 374626685 /nfs/dbraw/zinc/62/66/85/374626685.db2.gz OITCGIKBLVSUQJ-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CO[C@@H]1CCC[N@@H+](CCC[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000374662874 374626695 /nfs/dbraw/zinc/62/66/95/374626695.db2.gz OITCGIKBLVSUQJ-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP CO[C@@H]1CCC[N@H+](CCC[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000374662874 374626706 /nfs/dbraw/zinc/62/67/06/374626706.db2.gz OITCGIKBLVSUQJ-CALCHBBNSA-N 2 1 298.471 2.378 20 0 CEADMP Cn1cnc2cc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc21 ZINC000334250988 206257776 /nfs/dbraw/zinc/25/77/76/206257776.db2.gz KAXJHGMHBGFOJR-QGZVFWFLSA-N 2 1 284.407 2.149 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc21 ZINC000334250988 206257779 /nfs/dbraw/zinc/25/77/79/206257779.db2.gz KAXJHGMHBGFOJR-QGZVFWFLSA-N 2 1 284.407 2.149 20 0 CEADMP OCCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377319457 374836103 /nfs/dbraw/zinc/83/61/03/374836103.db2.gz XLIZOSICFJXDLP-MSOLQXFVSA-N 2 1 288.435 2.213 20 0 CEADMP CCn1cc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000377689592 374921822 /nfs/dbraw/zinc/92/18/22/374921822.db2.gz BMTRMDAOGLQLPM-UHFFFAOYSA-N 2 1 299.422 2.399 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(-n2cccn2)c1 ZINC000289484965 197369839 /nfs/dbraw/zinc/36/98/39/197369839.db2.gz BYXBFDCHDQFWHU-CQSZACIVSA-N 2 1 295.390 2.499 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC000377657331 374911987 /nfs/dbraw/zinc/91/19/87/374911987.db2.gz XQUMSPHPYXVVSO-INIZCTEOSA-N 2 1 279.428 2.312 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC000377657331 374911994 /nfs/dbraw/zinc/91/19/94/374911994.db2.gz XQUMSPHPYXVVSO-INIZCTEOSA-N 2 1 279.428 2.312 20 0 CEADMP COCCOCC[N@H+]1CCC[C@H]1Cn1ccnc1C(C)C ZINC000378019065 375002818 /nfs/dbraw/zinc/00/28/18/375002818.db2.gz OFFVZLDPBJIHOG-HNNXBMFYSA-N 2 1 295.427 2.134 20 0 CEADMP C[C@H](c1ccccc1)N(C)Cc1nc(C(C)(C)N)no1 ZINC000383692114 375205692 /nfs/dbraw/zinc/20/56/92/375205692.db2.gz FMPIGEWGLQFGKH-LLVKDONJSA-N 2 1 274.368 2.456 20 0 CEADMP COc1ccc(C)cc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000388319038 375288248 /nfs/dbraw/zinc/28/82/48/375288248.db2.gz MJDUXTADQYQTIA-CZUORRHYSA-N 2 1 262.397 2.420 20 0 CEADMP Cc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)nn1C ZINC000282183913 375423529 /nfs/dbraw/zinc/42/35/29/375423529.db2.gz MYKYEXIWEVAPRN-ZDUSSCGKSA-N 2 1 275.400 2.364 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)no1 ZINC000282834051 375589531 /nfs/dbraw/zinc/58/95/31/375589531.db2.gz SKGICGHDRKEOAA-PWSUYJOCSA-N 2 1 262.357 2.475 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000412415942 375552447 /nfs/dbraw/zinc/55/24/47/375552447.db2.gz IJIZUNIHFZIBEI-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCC[C@H](CCNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000412415942 375552449 /nfs/dbraw/zinc/55/24/49/375552449.db2.gz IJIZUNIHFZIBEI-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCC[C@H](CCNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000412415942 375552452 /nfs/dbraw/zinc/55/24/52/375552452.db2.gz IJIZUNIHFZIBEI-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@@H+]1CC[C@@H](CNc2cc(C)[nH+]c(CC)n2)C1 ZINC000283540736 375722721 /nfs/dbraw/zinc/72/27/21/375722721.db2.gz LTNXWBXHSAHWQG-ZDUSSCGKSA-N 2 1 262.401 2.491 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNc2cc(C)[nH+]c(CC)n2)C1 ZINC000283540736 375722727 /nfs/dbraw/zinc/72/27/27/375722727.db2.gz LTNXWBXHSAHWQG-ZDUSSCGKSA-N 2 1 262.401 2.491 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000414197370 375802031 /nfs/dbraw/zinc/80/20/31/375802031.db2.gz WHYQSOABGKAGFT-HIFRSBDPSA-N 2 1 276.428 2.119 20 0 CEADMP C[N@@H+](CC[C@@H](O)c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000286276948 375895639 /nfs/dbraw/zinc/89/56/39/375895639.db2.gz FIUCUVZSDHTHBY-NVXWUHKLSA-N 2 1 276.424 2.384 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1O ZINC000414777263 375963994 /nfs/dbraw/zinc/96/39/94/375963994.db2.gz HWGAVHKFKIMDCB-HUUCEWRRSA-N 2 1 290.407 2.222 20 0 CEADMP CCc1cc(OC)ccc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414788277 375971334 /nfs/dbraw/zinc/97/13/34/375971334.db2.gz DEJJVXFQMGQMFE-HNNXBMFYSA-N 2 1 250.386 2.331 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414794774 375977702 /nfs/dbraw/zinc/97/77/02/375977702.db2.gz MDVPPEXUUNKJFQ-BHYGNILZSA-N 2 1 275.440 2.395 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)CC[NH2+]1 ZINC000414707896 375933946 /nfs/dbraw/zinc/93/39/46/375933946.db2.gz PFPROSDAAVQMPC-CPUCHLNUSA-N 2 1 290.407 2.154 20 0 CEADMP [NH3+]CCCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000414731359 375941559 /nfs/dbraw/zinc/94/15/59/375941559.db2.gz BLKHBWLRJYJKOI-GOSISDBHSA-N 2 1 287.451 2.323 20 0 CEADMP COCC[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414745143 375947503 /nfs/dbraw/zinc/94/75/03/375947503.db2.gz PCKBRZDJNMRUCL-OCCSQVGLSA-N 2 1 297.468 2.288 20 0 CEADMP CCOc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1F ZINC000414804895 375991702 /nfs/dbraw/zinc/99/17/02/375991702.db2.gz YDVZBKAPUZMINS-ZDUSSCGKSA-N 2 1 254.349 2.297 20 0 CEADMP C1CC1[C@@H]1CCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415054899 376019326 /nfs/dbraw/zinc/01/93/26/376019326.db2.gz NZRLQHKVMSDNBQ-ZGUYJTEBSA-N 2 1 291.483 2.371 20 0 CEADMP CC(C)C[N@H+](Cc1cnn(C)c1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415090652 376019637 /nfs/dbraw/zinc/01/96/37/376019637.db2.gz AXZHABPJTZTVOU-CABCVRRESA-N 2 1 278.444 2.266 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCNC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000415121405 376021503 /nfs/dbraw/zinc/02/15/03/376021503.db2.gz HCLZZIRRUSWEEL-HLLBOEOZSA-N 2 1 273.424 2.021 20 0 CEADMP C[C@@H]1C[C@@H](CN2CC[NH2+]C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000415121405 376021511 /nfs/dbraw/zinc/02/15/11/376021511.db2.gz HCLZZIRRUSWEEL-HLLBOEOZSA-N 2 1 273.424 2.021 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000414800638 375985391 /nfs/dbraw/zinc/98/53/91/375985391.db2.gz SJEORNAPYRKJKG-GXFFZTMASA-N 2 1 278.787 2.205 20 0 CEADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1OC(C)C ZINC000414803821 375989516 /nfs/dbraw/zinc/98/95/16/375989516.db2.gz OFIGEBJLBSMFEO-AWEZNQCLSA-N 2 1 278.396 2.309 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000414805089 375990891 /nfs/dbraw/zinc/99/08/91/375990891.db2.gz LSJXOHDOGHQIMN-MXWKQRLJSA-N 2 1 250.308 2.434 20 0 CEADMP Cc1ccnc(C)c1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000287385874 376220197 /nfs/dbraw/zinc/22/01/97/376220197.db2.gz CLRNBVCJYISOFB-KGLIPLIRSA-N 2 1 288.395 2.256 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOCC3CCC3)C2)C1 ZINC000419293444 376431337 /nfs/dbraw/zinc/43/13/37/376431337.db2.gz UWRYHCVWYDZWBK-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOCC3CCC3)C2)C1 ZINC000419293444 376431346 /nfs/dbraw/zinc/43/13/46/376431346.db2.gz UWRYHCVWYDZWBK-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOCC3CCC3)C2)C1 ZINC000419293444 376431351 /nfs/dbraw/zinc/43/13/51/376431351.db2.gz UWRYHCVWYDZWBK-MRXNPFEDSA-N 2 1 266.429 2.221 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000556921228 376517855 /nfs/dbraw/zinc/51/78/55/376517855.db2.gz UZECOZIWDBDEGX-FXUDXRNXSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000556921228 376517862 /nfs/dbraw/zinc/51/78/62/376517862.db2.gz UZECOZIWDBDEGX-FXUDXRNXSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[NH+]1CCC[C@H]1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000556921228 376517868 /nfs/dbraw/zinc/51/78/68/376517868.db2.gz UZECOZIWDBDEGX-FXUDXRNXSA-N 3 1 267.461 2.179 20 0 CEADMP C[C@@H](CNC(=O)CCCC[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000556940498 376522160 /nfs/dbraw/zinc/52/21/60/376522160.db2.gz YPIJXPDLZNOLOS-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CN(Cc1cccc(Cl)c1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289778864 376495257 /nfs/dbraw/zinc/49/52/57/376495257.db2.gz KVNLHUDHIYHETJ-HNNXBMFYSA-N 2 1 282.815 2.227 20 0 CEADMP C[C@@H](c1ccsc1)[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261769348 296244074 /nfs/dbraw/zinc/24/40/74/296244074.db2.gz MNUZVHMQNQXVPR-GOEBONIOSA-N 2 1 293.480 2.426 20 0 CEADMP Cn1c(N[C@@H]2CCCC[C@H]2C[NH3+])[nH+]c2cccc(F)c21 ZINC000420186707 376598833 /nfs/dbraw/zinc/59/88/33/376598833.db2.gz AWARCLUSYSJJCZ-CMPLNLGQSA-N 2 1 276.359 2.064 20 0 CEADMP CC(C)(CCCO)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310797453 376636701 /nfs/dbraw/zinc/63/67/01/376636701.db2.gz WKNLFPJVOFHCBP-UHFFFAOYSA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CCOCC1 ZINC000558769966 376644788 /nfs/dbraw/zinc/64/47/88/376644788.db2.gz ONQXHTHALFLWRC-BBRMVZONSA-N 2 1 266.429 2.266 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000312915913 376733140 /nfs/dbraw/zinc/73/31/40/376733140.db2.gz LPEMABCQFDTKLP-WLYUNCDWSA-N 2 1 284.444 2.427 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000312915913 376733141 /nfs/dbraw/zinc/73/31/41/376733141.db2.gz LPEMABCQFDTKLP-WLYUNCDWSA-N 2 1 284.444 2.427 20 0 CEADMP COC(=O)C1CCC([NH2+][C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000311725116 376684092 /nfs/dbraw/zinc/68/40/92/376684092.db2.gz PSGZIUOCHSLHII-HSBZDZAISA-N 2 1 270.417 2.037 20 0 CEADMP COC(=O)C1CCC([NH2+][C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000311725116 376684101 /nfs/dbraw/zinc/68/41/01/376684101.db2.gz PSGZIUOCHSLHII-HSBZDZAISA-N 2 1 270.417 2.037 20 0 CEADMP CC1=CC[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000559895518 376698633 /nfs/dbraw/zinc/69/86/33/376698633.db2.gz WBQHJKVPERKAAN-HNNXBMFYSA-N 2 1 293.455 2.018 20 0 CEADMP COc1cc2c(cc1C[NH2+]CCC[NH2+]C1CC1)O[C@@H](C)C2 ZINC000560966710 376786118 /nfs/dbraw/zinc/78/61/18/376786118.db2.gz NBSWFNKSWHKYKJ-LBPRGKRZSA-N 2 1 290.407 2.250 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000315243723 376794950 /nfs/dbraw/zinc/79/49/50/376794950.db2.gz DPKKXUJNIDBPAD-HNNXBMFYSA-N 3 1 290.455 2.369 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000315243723 376794954 /nfs/dbraw/zinc/79/49/54/376794954.db2.gz DPKKXUJNIDBPAD-HNNXBMFYSA-N 3 1 290.455 2.369 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000685452299 542141291 /nfs/dbraw/zinc/14/12/91/542141291.db2.gz KVJWNKZEKMJNBC-AWEZNQCLSA-N 2 1 262.397 2.436 20 0 CEADMP CN(C)c1ncc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000685470651 542146633 /nfs/dbraw/zinc/14/66/33/542146633.db2.gz BTWXEKIGILZXJO-OCCSQVGLSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000685470651 542146635 /nfs/dbraw/zinc/14/66/35/542146635.db2.gz BTWXEKIGILZXJO-OCCSQVGLSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000685470651 542146637 /nfs/dbraw/zinc/14/66/37/542146637.db2.gz BTWXEKIGILZXJO-OCCSQVGLSA-N 2 1 294.468 2.125 20 0 CEADMP CN(C)c1ncc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000685470651 542146639 /nfs/dbraw/zinc/14/66/39/542146639.db2.gz BTWXEKIGILZXJO-OCCSQVGLSA-N 2 1 294.468 2.125 20 0 CEADMP COc1ccc(-n2ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])n2)cc1 ZINC000422937896 376867154 /nfs/dbraw/zinc/86/71/54/376867154.db2.gz DDHPWXKCENHNGA-OLZOCXBDSA-N 2 1 288.395 2.096 20 0 CEADMP COc1ccc(-n2ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])n2)cc1 ZINC000422937895 376867602 /nfs/dbraw/zinc/86/76/02/376867602.db2.gz DDHPWXKCENHNGA-CHWSQXEVSA-N 2 1 288.395 2.096 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000422949472 376874181 /nfs/dbraw/zinc/87/41/81/376874181.db2.gz VEPYPOFBSJKKDL-CHWSQXEVSA-N 2 1 299.212 2.297 20 0 CEADMP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422951641 376875968 /nfs/dbraw/zinc/87/59/68/376875968.db2.gz ZLRAFUCZNYOPCP-CHWSQXEVSA-N 2 1 289.423 2.369 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000422963486 376891480 /nfs/dbraw/zinc/89/14/80/376891480.db2.gz FZDMHFLASOVQPQ-PVAVHDDUSA-N 2 1 290.451 2.376 20 0 CEADMP C[C@H](NC[C@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000423082268 376975246 /nfs/dbraw/zinc/97/52/46/376975246.db2.gz CURPALAVNFZWDL-SOUVJXGZSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000422995657 376913433 /nfs/dbraw/zinc/91/34/33/376913433.db2.gz YQCLUUCCGSDXPZ-OFGYBXGMSA-N 2 1 256.393 2.160 20 0 CEADMP CCOc1cccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422998050 376914719 /nfs/dbraw/zinc/91/47/19/376914719.db2.gz PJLPECDXZGZTRH-CJNGLKHVSA-N 2 1 262.397 2.358 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422997038 376914960 /nfs/dbraw/zinc/91/49/60/376914960.db2.gz NDJKQNCOPFTVIG-PMPSAXMXSA-N 2 1 267.461 2.227 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422998852 376917236 /nfs/dbraw/zinc/91/72/36/376917236.db2.gz RFASBHNJVRXEFF-CVEARBPZSA-N 3 1 269.477 2.462 20 0 CEADMP COCCCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000423001619 376920636 /nfs/dbraw/zinc/92/06/36/376920636.db2.gz IESQRYJUTLXMSP-HOTGVXAUSA-N 2 1 278.396 2.071 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423003160 376921780 /nfs/dbraw/zinc/92/17/80/376921780.db2.gz KTNFEAQYXFYTCL-SMDDNHRTSA-N 2 1 265.401 2.188 20 0 CEADMP CCOC(=O)c1cnccc1N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000290802566 376931762 /nfs/dbraw/zinc/93/17/62/376931762.db2.gz PYMFCSGYUFCINH-NWDGAFQWSA-N 2 1 289.379 2.295 20 0 CEADMP CCC(C)(C)[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000562564616 376933985 /nfs/dbraw/zinc/93/39/85/376933985.db2.gz HDLNQIDOJJTWIJ-CYBMUJFWSA-N 2 1 256.434 2.248 20 0 CEADMP CC[C@@H]([NH2+][C@H](CO)Cc1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000423064231 376952268 /nfs/dbraw/zinc/95/22/68/376952268.db2.gz YNTQEKIBHIQBRN-BBWFWOEESA-N 2 1 276.424 2.019 20 0 CEADMP C[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1c[nH+]ccc1N ZINC000423135942 377034860 /nfs/dbraw/zinc/03/48/60/377034860.db2.gz OQFWJPKBQJRVQX-TZMCWYRMSA-N 2 1 277.412 2.334 20 0 CEADMP CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423145561 377043697 /nfs/dbraw/zinc/04/36/97/377043697.db2.gz LHGYHGYFYZYWGY-AXFHLTTASA-N 2 1 268.323 2.074 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000423089982 376981843 /nfs/dbraw/zinc/98/18/43/376981843.db2.gz WHUVHFJUIQZSAI-RBSFLKMASA-N 2 1 267.461 2.085 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000423089982 376981851 /nfs/dbraw/zinc/98/18/51/376981851.db2.gz WHUVHFJUIQZSAI-RBSFLKMASA-N 2 1 267.461 2.085 20 0 CEADMP CSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCC1 ZINC000423091452 376984566 /nfs/dbraw/zinc/98/45/66/376984566.db2.gz XCUXRGHPKLBQQI-MJBXVCDLSA-N 2 1 284.469 2.019 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1c[nH+]ccc1N ZINC000423095574 376988860 /nfs/dbraw/zinc/98/88/60/376988860.db2.gz FNHPBTQIRMWPFC-OCCSQVGLSA-N 2 1 277.412 2.334 20 0 CEADMP CSc1cccc(F)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423103818 376996370 /nfs/dbraw/zinc/99/63/70/376996370.db2.gz LJZCNATZEPBCDS-ZKYQVNSYSA-N 2 1 298.427 2.390 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CCC[NH3+])c(Br)c1 ZINC000423196824 377114025 /nfs/dbraw/zinc/11/40/25/377114025.db2.gz WLEGVZCEGAWYFC-SECBINFHSA-N 2 1 287.201 2.457 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C12CCC2 ZINC000423165889 377069154 /nfs/dbraw/zinc/06/91/54/377069154.db2.gz BOQLYGOMKITQNY-LEWSCRJBSA-N 2 1 261.369 2.102 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423164838 377069470 /nfs/dbraw/zinc/06/94/70/377069470.db2.gz AKVSXISRVHCCOS-TWMKSMIVSA-N 3 1 279.472 2.229 20 0 CEADMP COCC1CCC([NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000423188573 377103011 /nfs/dbraw/zinc/10/30/11/377103011.db2.gz OCFVKPXXPDGBBP-UHFFFAOYSA-N 2 1 291.439 2.356 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423271814 377191136 /nfs/dbraw/zinc/19/11/36/377191136.db2.gz JKLSJPSQSAKIEY-BPQIPLTHSA-N 2 1 289.467 2.470 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000423237626 377156804 /nfs/dbraw/zinc/15/68/04/377156804.db2.gz QCOXWVPPUUTVOY-NSHDSACASA-N 2 1 256.340 2.485 20 0 CEADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C(=O)OC)cc1 ZINC000423283839 377212114 /nfs/dbraw/zinc/21/21/14/377212114.db2.gz WJMXTGMPTSUAMY-GJZGRUSLSA-N 2 1 276.380 2.251 20 0 CEADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c2ccccc2C1 ZINC000423285089 377212283 /nfs/dbraw/zinc/21/22/83/377212283.db2.gz YVEYQYDQCVVAEU-IAGOWNOFSA-N 2 1 289.423 2.053 20 0 CEADMP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000423294953 377221565 /nfs/dbraw/zinc/22/15/65/377221565.db2.gz VVIJWQZHVKAQKM-MAZHCROVSA-N 3 1 261.413 2.456 20 0 CEADMP Cc1c([C@@H](C)[NH2+]CC2C[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423299104 377227770 /nfs/dbraw/zinc/22/77/70/377227770.db2.gz BHXFRJJVCUZQHC-LLVKDONJSA-N 2 1 288.370 2.190 20 0 CEADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(Br)s1 ZINC000423301234 377229328 /nfs/dbraw/zinc/22/93/28/377229328.db2.gz GRTYIBJSVASISX-SSDOTTSWSA-N 2 1 275.215 2.381 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(-n2cccn2)cc1 ZINC000423317099 377248365 /nfs/dbraw/zinc/24/83/65/377248365.db2.gz CDHDRFIELLLCAS-CYBMUJFWSA-N 2 1 270.380 2.404 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000423321381 377251629 /nfs/dbraw/zinc/25/16/29/377251629.db2.gz HMFSLGDYIKRYBH-LLVKDONJSA-N 2 1 264.369 2.236 20 0 CEADMP [NH3+][C@H](C[NH2+][C@H]1CSCCc2ccccc21)C1CC1 ZINC000423326864 377260494 /nfs/dbraw/zinc/26/04/94/377260494.db2.gz RGMPPPIEUDKKGM-CABCVRRESA-N 2 1 262.422 2.344 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423277357 377202552 /nfs/dbraw/zinc/20/25/52/377202552.db2.gz PKMIBYMMHOBDFO-BHYGNILZSA-N 2 1 275.440 2.222 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000331202814 377326599 /nfs/dbraw/zinc/32/65/99/377326599.db2.gz ZHZXOIWRTLPVBT-YPMHNXCESA-N 2 1 264.373 2.217 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000331202814 377326605 /nfs/dbraw/zinc/32/66/05/377326605.db2.gz ZHZXOIWRTLPVBT-YPMHNXCESA-N 2 1 264.373 2.217 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000564465715 377396087 /nfs/dbraw/zinc/39/60/87/377396087.db2.gz SEXNSJWHBZWUTF-DGCLKSJQSA-N 2 1 286.366 2.270 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000264949937 190147363 /nfs/dbraw/zinc/14/73/63/190147363.db2.gz BDTMTMOQNSVVBT-ZDUSSCGKSA-N 2 1 293.386 2.038 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](CCCc3ccncc3)C2)C1 ZINC000429001255 377506060 /nfs/dbraw/zinc/50/60/60/377506060.db2.gz UMVBOCQVLUTMJL-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](CCCc3ccncc3)C2)C1 ZINC000429001255 377506069 /nfs/dbraw/zinc/50/60/69/377506069.db2.gz UMVBOCQVLUTMJL-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCc3ccncc3)C2)C1 ZINC000429001255 377506076 /nfs/dbraw/zinc/50/60/76/377506076.db2.gz UMVBOCQVLUTMJL-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP Cc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C2CCC2)cc1 ZINC000427888328 377464116 /nfs/dbraw/zinc/46/41/16/377464116.db2.gz WNXADRVZODUUGC-ROUUACIJSA-N 2 1 288.435 2.492 20 0 CEADMP Cc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C2CCC2)cc1 ZINC000427888328 377464120 /nfs/dbraw/zinc/46/41/20/377464120.db2.gz WNXADRVZODUUGC-ROUUACIJSA-N 2 1 288.435 2.492 20 0 CEADMP C[C@H](CNC(=O)c1ccc(C[NH3+])cc1)[N@H+]1CCCC[C@H]1C ZINC000430767036 377548969 /nfs/dbraw/zinc/54/89/69/377548969.db2.gz YRGVDOGVRKNAKL-ZIAGYGMSSA-N 2 1 289.423 2.138 20 0 CEADMP CCc1nocc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000293425491 377561975 /nfs/dbraw/zinc/56/19/75/377561975.db2.gz NKHNFMOWCNWSLR-UHFFFAOYSA-N 2 1 262.357 2.264 20 0 CEADMP CCc1nocc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000293425491 377561979 /nfs/dbraw/zinc/56/19/79/377561979.db2.gz NKHNFMOWCNWSLR-UHFFFAOYSA-N 2 1 262.357 2.264 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2ccc(SC)cc2)C1 ZINC000430947227 377571510 /nfs/dbraw/zinc/57/15/10/377571510.db2.gz ZZEBPLWDHUNCPR-ZDUSSCGKSA-N 2 1 280.437 2.329 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CCC(C(C)C)CC1 ZINC000565159387 377577995 /nfs/dbraw/zinc/57/79/95/377577995.db2.gz XLWGEIBWAWOIMR-UYSNPLJNSA-N 2 1 270.461 2.446 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCC(C(C)C)CC1 ZINC000565159387 377578005 /nfs/dbraw/zinc/57/80/05/377578005.db2.gz XLWGEIBWAWOIMR-UYSNPLJNSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CCC(C(C)C)CC1 ZINC000565159387 377578012 /nfs/dbraw/zinc/57/80/12/377578012.db2.gz XLWGEIBWAWOIMR-UYSNPLJNSA-N 2 1 270.461 2.446 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCC(C(C)C)CC1 ZINC000565159387 377578018 /nfs/dbraw/zinc/57/80/18/377578018.db2.gz XLWGEIBWAWOIMR-UYSNPLJNSA-N 2 1 270.461 2.446 20 0 CEADMP Cc1nocc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000293536715 377615726 /nfs/dbraw/zinc/61/57/26/377615726.db2.gz JWZOVTYKGJGPBT-UHFFFAOYSA-N 2 1 289.379 2.213 20 0 CEADMP CCCOc1cccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313349816 249393695 /nfs/dbraw/zinc/39/36/95/249393695.db2.gz JCYABJFAXOQYHA-MRXNPFEDSA-N 2 1 278.396 2.025 20 0 CEADMP CCCOc1cccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000313349816 249393700 /nfs/dbraw/zinc/39/37/00/249393700.db2.gz JCYABJFAXOQYHA-MRXNPFEDSA-N 2 1 278.396 2.025 20 0 CEADMP Cc1ccc(C(C)(C)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000566108004 377726388 /nfs/dbraw/zinc/72/63/88/377726388.db2.gz STKWMVSOFJEHBM-QGZVFWFLSA-N 2 1 290.451 2.317 20 0 CEADMP Cc1ccc(C(C)(C)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000566108004 377726395 /nfs/dbraw/zinc/72/63/95/377726395.db2.gz STKWMVSOFJEHBM-QGZVFWFLSA-N 2 1 290.451 2.317 20 0 CEADMP C[C@H]1CCC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432366303 377755134 /nfs/dbraw/zinc/75/51/34/377755134.db2.gz DWEGUDQGEWITDY-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432366303 377755139 /nfs/dbraw/zinc/75/51/39/377755139.db2.gz DWEGUDQGEWITDY-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CCn1cc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cn1 ZINC000432404733 377757196 /nfs/dbraw/zinc/75/71/96/377757196.db2.gz FQESVLJQIZXEJL-CABCVRRESA-N 2 1 294.443 2.055 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)cn1 ZINC000432404733 377757202 /nfs/dbraw/zinc/75/72/02/377757202.db2.gz FQESVLJQIZXEJL-CABCVRRESA-N 2 1 294.443 2.055 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cn1 ZINC000432404733 377757207 /nfs/dbraw/zinc/75/72/07/377757207.db2.gz FQESVLJQIZXEJL-CABCVRRESA-N 2 1 294.443 2.055 20 0 CEADMP CCn1cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cn1 ZINC000432404733 377757212 /nfs/dbraw/zinc/75/72/12/377757212.db2.gz FQESVLJQIZXEJL-CABCVRRESA-N 2 1 294.443 2.055 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)CCCO1 ZINC000432425601 377761053 /nfs/dbraw/zinc/76/10/53/377761053.db2.gz VVZWFBVPFQGTLT-LSDHHAIUSA-N 2 1 298.471 2.423 20 0 CEADMP CC[C@H]([NH2+]CCC[NH+](C)C)c1ccc(C(=O)OC)cc1 ZINC000293870541 377797863 /nfs/dbraw/zinc/79/78/63/377797863.db2.gz UXNMMPPKTGRASQ-HNNXBMFYSA-N 2 1 278.396 2.466 20 0 CEADMP C[C@@H](O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000438983339 377916856 /nfs/dbraw/zinc/91/68/56/377916856.db2.gz ZKFDIASPBAUWBU-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441414579 377942239 /nfs/dbraw/zinc/94/22/39/377942239.db2.gz TZGVQPAIKIVYKO-HOCLYGCPSA-N 2 1 266.429 2.362 20 0 CEADMP CCOCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441414579 377942245 /nfs/dbraw/zinc/94/22/45/377942245.db2.gz TZGVQPAIKIVYKO-HOCLYGCPSA-N 2 1 266.429 2.362 20 0 CEADMP CCOCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441414579 377942255 /nfs/dbraw/zinc/94/22/55/377942255.db2.gz TZGVQPAIKIVYKO-HOCLYGCPSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443073692 378034896 /nfs/dbraw/zinc/03/48/96/378034896.db2.gz PGIDDINTUAIPBT-NWDGAFQWSA-N 2 1 280.416 2.489 20 0 CEADMP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443073692 378034900 /nfs/dbraw/zinc/03/49/00/378034900.db2.gz PGIDDINTUAIPBT-NWDGAFQWSA-N 2 1 280.416 2.489 20 0 CEADMP Cc1sccc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000295396204 378138256 /nfs/dbraw/zinc/13/82/56/378138256.db2.gz QHDBOKKWZBFLRN-CQSZACIVSA-N 2 1 280.437 2.211 20 0 CEADMP CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C)nc2C)C1 ZINC000447192161 378094969 /nfs/dbraw/zinc/09/49/69/378094969.db2.gz IRTMBCXZUWJPBP-CYBMUJFWSA-N 2 1 276.384 2.162 20 0 CEADMP CCc1ccc2[nH+]ccc(N3CC[N@@H+](CCO)[C@H](C)C3)c2c1 ZINC000450455793 378428337 /nfs/dbraw/zinc/42/83/37/378428337.db2.gz WCSXAXYZHJAYMB-CQSZACIVSA-N 2 1 299.418 2.300 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CCc2cscn2)C[C@@H]1C ZINC000450467135 378432624 /nfs/dbraw/zinc/43/26/24/378432624.db2.gz KMZPWDCLBNKWDQ-JSGCOSHPSA-N 2 1 267.442 2.490 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2cscn2)C[C@@H]1C ZINC000450467135 378432631 /nfs/dbraw/zinc/43/26/31/378432631.db2.gz KMZPWDCLBNKWDQ-JSGCOSHPSA-N 2 1 267.442 2.490 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cscn2)C[C@@H]1C ZINC000450467135 378432640 /nfs/dbraw/zinc/43/26/40/378432640.db2.gz KMZPWDCLBNKWDQ-JSGCOSHPSA-N 2 1 267.442 2.490 20 0 CEADMP Cn1cncc1CC[N@H+]1CCCc2ccccc2C1 ZINC000297282784 378679400 /nfs/dbraw/zinc/67/94/00/378679400.db2.gz AGBIFVOLAHDASF-UHFFFAOYSA-N 2 1 255.365 2.411 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298503941 378748750 /nfs/dbraw/zinc/74/87/50/378748750.db2.gz QNHQJGGQEVASAE-QGZVFWFLSA-N 2 1 274.408 2.245 20 0 CEADMP C[C@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CC[NH+](C2CC2)C1 ZINC000451080619 378703001 /nfs/dbraw/zinc/70/30/01/378703001.db2.gz KSCMZZOERRLQIJ-HOTGVXAUSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@@H+](C2CC2)C1 ZINC000451080619 378703006 /nfs/dbraw/zinc/70/30/06/378703006.db2.gz KSCMZZOERRLQIJ-HOTGVXAUSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@H]1CN(CC[C@@H]2CCCC[NH+]2C)CC[N@H+](C2CC2)C1 ZINC000451080619 378703012 /nfs/dbraw/zinc/70/30/12/378703012.db2.gz KSCMZZOERRLQIJ-HOTGVXAUSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccccc1F ZINC000346840740 218032195 /nfs/dbraw/zinc/03/21/95/218032195.db2.gz UNKPVFIRYLYUDO-VXGBXAGGSA-N 2 1 288.370 2.385 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccccc1F ZINC000346840739 218032658 /nfs/dbraw/zinc/03/26/58/218032658.db2.gz UNKPVFIRYLYUDO-RYUDHWBXSA-N 2 1 288.370 2.385 20 0 CEADMP COC1([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CCOCC1 ZINC000453111456 378806476 /nfs/dbraw/zinc/80/64/76/378806476.db2.gz RYBTXGKFRIBPQP-ZIAGYGMSSA-N 2 1 295.427 2.001 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453118051 378809911 /nfs/dbraw/zinc/80/99/11/378809911.db2.gz VBMFGAUGUJKZCG-IRXDYDNUSA-N 2 1 280.456 2.392 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]c(-c4ccccc4)n3)C[C@H]12 ZINC000346819985 218022437 /nfs/dbraw/zinc/02/24/37/218022437.db2.gz IPGNOUJMHKLNLF-CWRNSKLLSA-N 2 1 282.391 2.246 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)C[C@H]12 ZINC000346819985 218022439 /nfs/dbraw/zinc/02/24/39/218022439.db2.gz IPGNOUJMHKLNLF-CWRNSKLLSA-N 2 1 282.391 2.246 20 0 CEADMP Cc1ccn2c(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cnc2c1 ZINC000346850130 218035647 /nfs/dbraw/zinc/03/56/47/218035647.db2.gz PJZCDFWHBPMGLQ-NUEKZKHPSA-N 2 1 284.407 2.202 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC[N@@H+]1C ZINC000453294231 378856867 /nfs/dbraw/zinc/85/68/67/378856867.db2.gz XMYMHLVGMHUMDC-KFWWJZLASA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC[N@H+]1C ZINC000453294231 378856875 /nfs/dbraw/zinc/85/68/75/378856875.db2.gz XMYMHLVGMHUMDC-KFWWJZLASA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC[NH+]1C ZINC000453294231 378856884 /nfs/dbraw/zinc/85/68/84/378856884.db2.gz XMYMHLVGMHUMDC-KFWWJZLASA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC[NH+]1C ZINC000453294231 378856889 /nfs/dbraw/zinc/85/68/89/378856889.db2.gz XMYMHLVGMHUMDC-KFWWJZLASA-N 2 1 295.471 2.083 20 0 CEADMP c1ccc(N[C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000346856505 218038312 /nfs/dbraw/zinc/03/83/12/218038312.db2.gz PKLIXTQEXMEFFI-HOCLYGCPSA-N 2 1 259.397 2.172 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOC2CCC2)[C@@H](C)C1 ZINC000346917323 218058529 /nfs/dbraw/zinc/05/85/29/218058529.db2.gz ZGIQLLQSTDZBBW-DOTOQJQBSA-N 2 1 298.471 2.282 20 0 CEADMP COc1ccccc1[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346976842 218076274 /nfs/dbraw/zinc/07/62/74/218076274.db2.gz KGJGAOXTCHVZMI-HUUCEWRRSA-N 2 1 274.408 2.484 20 0 CEADMP CC1(C)C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000453449138 378908162 /nfs/dbraw/zinc/90/81/62/378908162.db2.gz ZQJXRFLWOJPCCS-ILXRZTDVSA-N 2 1 266.429 2.408 20 0 CEADMP C[N@@H+](Cc1ccc(Oc2cnccn2)cc1)C1CC[NH2+]CC1 ZINC000347056450 218107909 /nfs/dbraw/zinc/10/79/09/218107909.db2.gz VHTZAHAVXOLJME-UHFFFAOYSA-N 2 1 298.390 2.453 20 0 CEADMP CC(C)(C)c1ncc(C[N@@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000347079996 218115967 /nfs/dbraw/zinc/11/59/67/218115967.db2.gz WXFIVHOOXPITBR-SNVBAGLBSA-N 2 1 253.415 2.221 20 0 CEADMP CC(C)(C)c1ncc(C[N@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000347079996 218115970 /nfs/dbraw/zinc/11/59/70/218115970.db2.gz WXFIVHOOXPITBR-SNVBAGLBSA-N 2 1 253.415 2.221 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000347089743 218117385 /nfs/dbraw/zinc/11/73/85/218117385.db2.gz FQDCNLROCGFRCN-AWEZNQCLSA-N 2 1 260.381 2.256 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000347110847 218125198 /nfs/dbraw/zinc/12/51/98/218125198.db2.gz OAELMALEZSSVAW-WFASDCNBSA-N 2 1 278.444 2.469 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1OC(C)C ZINC000347115468 218125972 /nfs/dbraw/zinc/12/59/72/218125972.db2.gz UQHGQGOINQLHAJ-ZDUSSCGKSA-N 2 1 278.396 2.263 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1OC(C)C ZINC000347115468 218125973 /nfs/dbraw/zinc/12/59/73/218125973.db2.gz UQHGQGOINQLHAJ-ZDUSSCGKSA-N 2 1 278.396 2.263 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000347140075 218134643 /nfs/dbraw/zinc/13/46/43/218134643.db2.gz WCTPHVUCOYEQQX-OCCSQVGLSA-N 2 1 278.396 2.263 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000347140075 218134646 /nfs/dbraw/zinc/13/46/46/218134646.db2.gz WCTPHVUCOYEQQX-OCCSQVGLSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000347137409 218134875 /nfs/dbraw/zinc/13/48/75/218134875.db2.gz UJIIIGICFUPNMO-PBHICJAKSA-N 2 1 284.407 2.101 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000347137409 218134877 /nfs/dbraw/zinc/13/48/77/218134877.db2.gz UJIIIGICFUPNMO-PBHICJAKSA-N 2 1 284.407 2.101 20 0 CEADMP C[C@H](Cc1ccncc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000347203683 218155488 /nfs/dbraw/zinc/15/54/88/218155488.db2.gz CUHRUKQPMVBTIS-CYBMUJFWSA-N 2 1 259.397 2.229 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2c[nH]nc2C)C1 ZINC000180206770 542261641 /nfs/dbraw/zinc/26/16/41/542261641.db2.gz FEAICUCLMXRANZ-AAEUAGOBSA-N 2 1 250.390 2.101 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2c[nH]nc2C)C1 ZINC000180206770 542261644 /nfs/dbraw/zinc/26/16/44/542261644.db2.gz FEAICUCLMXRANZ-AAEUAGOBSA-N 2 1 250.390 2.101 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000300220633 379157252 /nfs/dbraw/zinc/15/72/52/379157252.db2.gz FXJAHUBVMXAXAM-YIYPIFLZSA-N 2 1 299.459 2.218 20 0 CEADMP COc1ccc2c(c1)CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000516981451 379331832 /nfs/dbraw/zinc/33/18/32/379331832.db2.gz PBWJMTWOKQJWLK-INIZCTEOSA-N 2 1 260.381 2.053 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000516981451 379331839 /nfs/dbraw/zinc/33/18/39/379331839.db2.gz PBWJMTWOKQJWLK-INIZCTEOSA-N 2 1 260.381 2.053 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000517130636 379345848 /nfs/dbraw/zinc/34/58/48/379345848.db2.gz XKAPAQSPKOEXQI-BBRMVZONSA-N 2 1 266.429 2.168 20 0 CEADMP C[C@H]1CCCC[C@H]1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000518396404 379381607 /nfs/dbraw/zinc/38/16/07/379381607.db2.gz DMQLCAAZSIOYCC-GJZGRUSLSA-N 2 1 268.445 2.249 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000302264722 379347690 /nfs/dbraw/zinc/34/76/90/379347690.db2.gz POTIRNDFKGCZAM-HNNXBMFYSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000519381501 379409593 /nfs/dbraw/zinc/40/95/93/379409593.db2.gz PLOPCVNANBVSCX-LLVKDONJSA-N 2 1 291.374 2.218 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000187066379 183652411 /nfs/dbraw/zinc/65/24/11/183652411.db2.gz PTTVFDKVFXRSGI-ZDUSSCGKSA-N 2 1 286.485 2.219 20 0 CEADMP OCCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303413033 379496712 /nfs/dbraw/zinc/49/67/12/379496712.db2.gz YSGXKSRJRCQWBR-MRXNPFEDSA-N 2 1 268.445 2.347 20 0 CEADMP C[N@@H+](CCCO)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000304161594 379529750 /nfs/dbraw/zinc/52/97/50/379529750.db2.gz OBVCTYUAHPQRJN-UHFFFAOYSA-N 2 1 280.387 2.104 20 0 CEADMP COc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)ccn1 ZINC000347659422 218311460 /nfs/dbraw/zinc/31/14/60/218311460.db2.gz AJKCLSSNPSJNKG-GXTWGEPZSA-N 2 1 263.385 2.225 20 0 CEADMP COc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)ccn1 ZINC000347659422 218311462 /nfs/dbraw/zinc/31/14/62/218311462.db2.gz AJKCLSSNPSJNKG-GXTWGEPZSA-N 2 1 263.385 2.225 20 0 CEADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000522851291 379578062 /nfs/dbraw/zinc/57/80/62/379578062.db2.gz UVZVGIBJLGFESR-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccs1 ZINC000305158621 379666241 /nfs/dbraw/zinc/66/62/41/379666241.db2.gz WKLILFGIODSBEC-UONOGXRCSA-N 2 1 282.453 2.492 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(CO)c1 ZINC000305666667 379726382 /nfs/dbraw/zinc/72/63/82/379726382.db2.gz USBCFRLGMHITML-UKRRQHHQSA-N 2 1 274.408 2.314 20 0 CEADMP COC(=O)c1occc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267432951 190330094 /nfs/dbraw/zinc/33/00/94/190330094.db2.gz MZEVQOPEFPUNQO-GFCCVEGCSA-N 2 1 289.335 2.169 20 0 CEADMP COC(=O)c1occc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267432951 190330095 /nfs/dbraw/zinc/33/00/95/190330095.db2.gz MZEVQOPEFPUNQO-GFCCVEGCSA-N 2 1 289.335 2.169 20 0 CEADMP Cc1cccc([C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C(C)C)c1 ZINC000527889946 379839563 /nfs/dbraw/zinc/83/95/63/379839563.db2.gz JZDVXOYVCUNOTM-SJORKVTESA-N 2 1 276.424 2.348 20 0 CEADMP Cc1cccc([C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C(C)C)c1 ZINC000527889946 379839568 /nfs/dbraw/zinc/83/95/68/379839568.db2.gz JZDVXOYVCUNOTM-SJORKVTESA-N 2 1 276.424 2.348 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@]2(C)OCC)[C@H](C)C1 ZINC000527974703 379863922 /nfs/dbraw/zinc/86/39/22/379863922.db2.gz OEJWZONITYBURT-VQHPVUNQSA-N 2 1 298.471 2.281 20 0 CEADMP CN(CC[N@@H+](C)CC1CC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000528423469 379966114 /nfs/dbraw/zinc/96/61/14/379966114.db2.gz MNRPZEJQLQIVLG-UHFFFAOYSA-N 2 1 281.488 2.380 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000347906529 218394240 /nfs/dbraw/zinc/39/42/40/218394240.db2.gz WTCHPYLLQLAOCG-UHFFFAOYSA-N 2 1 283.460 2.050 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CS[C@H](C(C)C)C2)C1 ZINC000488457797 380096178 /nfs/dbraw/zinc/09/61/78/380096178.db2.gz HVZYNIHWTWFSLQ-MCIONIFRSA-N 2 1 256.459 2.448 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)c1sccc1C[NH+](C)C ZINC000268183760 190384025 /nfs/dbraw/zinc/38/40/25/190384025.db2.gz WPDWISXJQJQKEX-UHFFFAOYSA-N 2 1 297.468 2.270 20 0 CEADMP Fc1ccc2c(c1)C[N@@H+](CCCn1ccnc1)CCO2 ZINC000489186805 380164853 /nfs/dbraw/zinc/16/48/53/380164853.db2.gz IJFVLFMMBZPBGL-UHFFFAOYSA-N 2 1 275.327 2.307 20 0 CEADMP Fc1ccc2c(c1)C[N@H+](CCCn1ccnc1)CCO2 ZINC000489186805 380164861 /nfs/dbraw/zinc/16/48/61/380164861.db2.gz IJFVLFMMBZPBGL-UHFFFAOYSA-N 2 1 275.327 2.307 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000334365387 380309147 /nfs/dbraw/zinc/30/91/47/380309147.db2.gz OBVVZQCPIMSDSX-KGLIPLIRSA-N 2 1 254.418 2.264 20 0 CEADMP CC[NH+](CC)CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547430863 380442857 /nfs/dbraw/zinc/44/28/57/380442857.db2.gz JCUCGVKMRDUWMR-UHFFFAOYSA-N 2 1 283.460 2.099 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccsc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000334481025 380472911 /nfs/dbraw/zinc/47/29/11/380472911.db2.gz UYNBPQCNCLOJRO-GDBMZVCRSA-N 2 1 293.480 2.206 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccsc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000334481025 380472915 /nfs/dbraw/zinc/47/29/15/380472915.db2.gz UYNBPQCNCLOJRO-GDBMZVCRSA-N 2 1 293.480 2.206 20 0 CEADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1(C)C)C1CCCCC1 ZINC000548065157 380483232 /nfs/dbraw/zinc/48/32/32/380483232.db2.gz JIRVAXYRPMRKKL-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+](CCC(=O)N1CC[N@H+](C)CC1(C)C)C1CCCCC1 ZINC000548065157 380483237 /nfs/dbraw/zinc/48/32/37/380483237.db2.gz JIRVAXYRPMRKKL-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP C[NH+](CCC(=O)N1CC[N@@H+](C)CC1(C)C)C1CCCCC1 ZINC000548065157 380483245 /nfs/dbraw/zinc/48/32/45/380483245.db2.gz JIRVAXYRPMRKKL-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000492441303 380556553 /nfs/dbraw/zinc/55/65/53/380556553.db2.gz ZPKCDKGBNXAIGM-RDBSUJKOSA-N 2 1 299.459 2.314 20 0 CEADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000492441303 380556561 /nfs/dbraw/zinc/55/65/61/380556561.db2.gz ZPKCDKGBNXAIGM-RDBSUJKOSA-N 2 1 299.459 2.314 20 0 CEADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000492441303 380556567 /nfs/dbraw/zinc/55/65/67/380556567.db2.gz ZPKCDKGBNXAIGM-RDBSUJKOSA-N 2 1 299.459 2.314 20 0 CEADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000492441303 380556571 /nfs/dbraw/zinc/55/65/71/380556571.db2.gz ZPKCDKGBNXAIGM-RDBSUJKOSA-N 2 1 299.459 2.314 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000549131671 380592299 /nfs/dbraw/zinc/59/22/99/380592299.db2.gz TYGBXFCTJFTQLP-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000554424505 380769316 /nfs/dbraw/zinc/76/93/16/380769316.db2.gz VPZTVTOURNTBGL-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000554424505 380769321 /nfs/dbraw/zinc/76/93/21/380769321.db2.gz VPZTVTOURNTBGL-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000554424505 380769325 /nfs/dbraw/zinc/76/93/25/380769325.db2.gz VPZTVTOURNTBGL-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000554560855 380783382 /nfs/dbraw/zinc/78/33/82/380783382.db2.gz DRQROPZFEXGDHL-AWEZNQCLSA-N 2 1 252.402 2.020 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000554636679 380789627 /nfs/dbraw/zinc/78/96/27/380789627.db2.gz LHGXDPOTQQASLT-MRXNPFEDSA-N 2 1 297.487 2.441 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnn1C ZINC000348306016 218563747 /nfs/dbraw/zinc/56/37/47/218563747.db2.gz WDULQCITOIVLLO-HOCLYGCPSA-N 2 1 278.444 2.410 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000493575560 381063839 /nfs/dbraw/zinc/06/38/39/381063839.db2.gz VDUALILMSRDGLX-HUUCEWRRSA-N 2 1 265.401 2.112 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1Br ZINC000334833209 207157773 /nfs/dbraw/zinc/15/77/73/207157773.db2.gz NKWSAKFCJRSEAV-PJXYFTJBSA-N 2 1 281.197 2.065 20 0 CEADMP Cc1occc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334860235 207201982 /nfs/dbraw/zinc/20/19/82/207201982.db2.gz SSCNIDVYYOFCGY-YOEHRIQHSA-N 2 1 291.439 2.046 20 0 CEADMP Cc1occc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334860235 207201988 /nfs/dbraw/zinc/20/19/88/207201988.db2.gz SSCNIDVYYOFCGY-YOEHRIQHSA-N 2 1 291.439 2.046 20 0 CEADMP CC(C)[C@H]([NH2+]CCCc1c[nH+]cn1C)C1(CO)CCC1 ZINC000581319261 322387336 /nfs/dbraw/zinc/38/73/36/322387336.db2.gz WBNASGWZLBODHV-HNNXBMFYSA-N 2 1 279.428 2.130 20 0 CEADMP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000334975176 207399974 /nfs/dbraw/zinc/39/99/74/207399974.db2.gz QIKRMUNEVALHGC-JQWIXIFHSA-N 2 1 276.359 2.064 20 0 CEADMP Cn1c(C[NH2+][C@H]2CCC[NH2+]CC2)nc2cc(Cl)ccc21 ZINC000335253127 208032792 /nfs/dbraw/zinc/03/27/92/208032792.db2.gz WICGKYRJYBLGSW-LBPRGKRZSA-N 2 1 292.814 2.458 20 0 CEADMP Cc1nocc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000335370723 208297188 /nfs/dbraw/zinc/29/71/88/208297188.db2.gz BDQDIYZYMCXRIH-AWEZNQCLSA-N 2 1 263.385 2.147 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000289356633 197310368 /nfs/dbraw/zinc/31/03/68/197310368.db2.gz MFOWSPCDASYEQZ-RDJZCZTQSA-N 2 1 292.423 2.191 20 0 CEADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000289356633 197310370 /nfs/dbraw/zinc/31/03/70/197310370.db2.gz MFOWSPCDASYEQZ-RDJZCZTQSA-N 2 1 292.423 2.191 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281373780 195215406 /nfs/dbraw/zinc/21/54/06/195215406.db2.gz WTOHFROLVINMSD-OAHLLOKOSA-N 2 1 263.360 2.356 20 0 CEADMP C[C@@H](CCC1CC1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000186270031 270249440 /nfs/dbraw/zinc/24/94/40/270249440.db2.gz SHONXDOOENULPJ-ZDUSSCGKSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000281647192 195321835 /nfs/dbraw/zinc/32/18/35/195321835.db2.gz JMOFYPICHQIMSO-WMZOPIPTSA-N 2 1 288.435 2.284 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000281647192 195321837 /nfs/dbraw/zinc/32/18/37/195321837.db2.gz JMOFYPICHQIMSO-WMZOPIPTSA-N 2 1 288.435 2.284 20 0 CEADMP COc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)n1 ZINC000190953626 130165228 /nfs/dbraw/zinc/16/52/28/130165228.db2.gz YNVILPHKVNJGDT-GFCCVEGCSA-N 2 1 274.368 2.021 20 0 CEADMP COCC[NH+]1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000263848556 131345259 /nfs/dbraw/zinc/34/52/59/131345259.db2.gz LZEACMHBULHQMU-UHFFFAOYSA-N 2 1 287.407 2.368 20 0 CEADMP C[N@H+](C[C@H]1C[C@@H](O)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000420942169 394449984 /nfs/dbraw/zinc/44/99/84/394449984.db2.gz UWAWKJXRPKJOLS-MAEOIBBWSA-N 2 1 288.435 2.354 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@H](O)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000420942169 394449985 /nfs/dbraw/zinc/44/99/85/394449985.db2.gz UWAWKJXRPKJOLS-MAEOIBBWSA-N 2 1 288.435 2.354 20 0 CEADMP CC1CC[NH+](CCCCNc2nc(N(C)C)cc[nH+]2)CC1 ZINC000301745584 394464966 /nfs/dbraw/zinc/46/49/66/394464966.db2.gz XFFHNGGQUMJXOV-UHFFFAOYSA-N 2 1 291.443 2.467 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@H]2CC[C@H](C)C2)CC1 ZINC000355581000 394466249 /nfs/dbraw/zinc/46/62/49/394466249.db2.gz IXRWYZDIVIPDBM-KBPBESRZSA-N 2 1 254.418 2.123 20 0 CEADMP C1CC2(C1)C[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000226871023 394471644 /nfs/dbraw/zinc/47/16/44/394471644.db2.gz LIUMDGFEKYGTGL-QLFBSQMISA-N 2 1 264.413 2.305 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000037051841 394496169 /nfs/dbraw/zinc/49/61/69/394496169.db2.gz DMOSKPZZRFISCF-OAHLLOKOSA-N 2 1 276.428 2.260 20 0 CEADMP C1CC1[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250942161 394565830 /nfs/dbraw/zinc/56/58/30/394565830.db2.gz ZQSSSMCPOCBRPO-QMCVQRASSA-N 2 1 277.456 2.124 20 0 CEADMP C1CC1[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250942161 394565835 /nfs/dbraw/zinc/56/58/35/394565835.db2.gz ZQSSSMCPOCBRPO-QMCVQRASSA-N 2 1 277.456 2.124 20 0 CEADMP CCC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000252425469 394570939 /nfs/dbraw/zinc/57/09/39/394570939.db2.gz NSVRWBFLWXBIAF-GDBMZVCRSA-N 2 1 295.471 2.145 20 0 CEADMP CCC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000252425469 394570947 /nfs/dbraw/zinc/57/09/47/394570947.db2.gz NSVRWBFLWXBIAF-GDBMZVCRSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000070356258 394587020 /nfs/dbraw/zinc/58/70/20/394587020.db2.gz VJBBSSFGXXAGDN-ZBFHGGJFSA-N 2 1 266.429 2.406 20 0 CEADMP CCSCC[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000355750374 394520572 /nfs/dbraw/zinc/52/05/72/394520572.db2.gz MAZHLCPSZKBKKS-UHFFFAOYSA-N 2 1 294.464 2.362 20 0 CEADMP CC[C@H](C)[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000247990516 394536218 /nfs/dbraw/zinc/53/62/18/394536218.db2.gz JJAUTCRPKDANLL-ZNMIVQPWSA-N 2 1 256.434 2.248 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000311185881 394536694 /nfs/dbraw/zinc/53/66/94/394536694.db2.gz BVXLXDUDQODCKH-KBPBESRZSA-N 2 1 254.418 2.406 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000311185881 394536696 /nfs/dbraw/zinc/53/66/96/394536696.db2.gz BVXLXDUDQODCKH-KBPBESRZSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248390345 394539576 /nfs/dbraw/zinc/53/95/76/394539576.db2.gz HZCIYJAODSEQCE-DMDPSCGWSA-N 2 1 294.361 2.152 20 0 CEADMP C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248390345 394539582 /nfs/dbraw/zinc/53/95/82/394539582.db2.gz HZCIYJAODSEQCE-DMDPSCGWSA-N 2 1 294.361 2.152 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000249082767 394552048 /nfs/dbraw/zinc/55/20/48/394552048.db2.gz HURCKOTWQMBEDA-RBSFLKMASA-N 2 1 254.418 2.121 20 0 CEADMP C1CC1[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000093452307 394665873 /nfs/dbraw/zinc/66/58/73/394665873.db2.gz TYVKDPTZLZUONM-IXDOHACOSA-N 2 1 277.456 2.124 20 0 CEADMP CCCC[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000093464828 394667059 /nfs/dbraw/zinc/66/70/59/394667059.db2.gz XHRKQNWHQIJSDG-GDBMZVCRSA-N 3 1 267.461 2.371 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000261985005 394610896 /nfs/dbraw/zinc/61/08/96/394610896.db2.gz RSWQMCQXXSKDFL-GOEBONIOSA-N 2 1 290.455 2.485 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000356802063 394618442 /nfs/dbraw/zinc/61/84/42/394618442.db2.gz GHKOUGVGGYMHNL-GJZGRUSLSA-N 2 1 297.487 2.486 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCO1 ZINC000421864392 394620823 /nfs/dbraw/zinc/62/08/23/394620823.db2.gz XRXCSZSZTJSRRZ-LJIZCISZSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCCOC1 ZINC000356833936 394626141 /nfs/dbraw/zinc/62/61/41/394626141.db2.gz FTKRYTGKLKMLHW-GBJTYRQASA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCCOC1 ZINC000356833936 394626144 /nfs/dbraw/zinc/62/61/44/394626144.db2.gz FTKRYTGKLKMLHW-GBJTYRQASA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCOC1 ZINC000356870761 394637838 /nfs/dbraw/zinc/63/78/38/394637838.db2.gz OKKCILRNSSHIPN-CHWSQXEVSA-N 2 1 252.402 2.018 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000085384713 394642584 /nfs/dbraw/zinc/64/25/84/394642584.db2.gz IOCCIAJECCMYBT-GJZGRUSLSA-N 2 1 266.429 2.406 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)c1C ZINC000357042317 394689740 /nfs/dbraw/zinc/68/97/40/394689740.db2.gz SHGVDUUAAXAPAX-UONOGXRCSA-N 2 1 277.412 2.231 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1C ZINC000357042317 394689744 /nfs/dbraw/zinc/68/97/44/394689744.db2.gz SHGVDUUAAXAPAX-UONOGXRCSA-N 2 1 277.412 2.231 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]CCCn2cc[nH+]c2C)cn1 ZINC000414079312 394697064 /nfs/dbraw/zinc/69/70/64/394697064.db2.gz SVUDFHVDLXFIGY-ZDUSSCGKSA-N 2 1 288.395 2.206 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)CC2 ZINC000357641755 394702191 /nfs/dbraw/zinc/70/21/91/394702191.db2.gz ISUWQECYCWYDBR-FVQBIDKESA-N 2 1 290.455 2.251 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)CC2 ZINC000357641755 394702192 /nfs/dbraw/zinc/70/21/92/394702192.db2.gz ISUWQECYCWYDBR-FVQBIDKESA-N 2 1 290.455 2.251 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC000359294380 394746438 /nfs/dbraw/zinc/74/64/38/394746438.db2.gz UKZPDTGGBQIGTI-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC000359294380 394746441 /nfs/dbraw/zinc/74/64/41/394746441.db2.gz UKZPDTGGBQIGTI-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000357793007 394703590 /nfs/dbraw/zinc/70/35/90/394703590.db2.gz DUJDFWFWFGYLPB-KBMXLJTQSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000268953114 394703852 /nfs/dbraw/zinc/70/38/52/394703852.db2.gz VRBBPWAYJSFQET-MUIFIZLQSA-N 2 1 276.424 2.347 20 0 CEADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H]1C[C@@H]1C ZINC000414109134 394704991 /nfs/dbraw/zinc/70/49/91/394704991.db2.gz GWDXNVITPCOMLW-JYJNAYRXSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1C[C@H]1C ZINC000414110182 394705183 /nfs/dbraw/zinc/70/51/83/394705183.db2.gz HXIPHGLISQIRRP-KFWWJZLASA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)c1ccsc1 ZINC000269012471 394707103 /nfs/dbraw/zinc/70/71/03/394707103.db2.gz NGBCFKNXGGUCNO-HBJVGIJOSA-N 2 1 268.426 2.100 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)n2c1 ZINC000422558531 394709752 /nfs/dbraw/zinc/70/97/52/394709752.db2.gz BAQQJQSPZRXWCM-KFWWJZLASA-N 2 1 286.423 2.448 20 0 CEADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1CC1(C)C ZINC000414127411 394710357 /nfs/dbraw/zinc/71/03/57/394710357.db2.gz SGDRQDADJOIMAZ-HOTGVXAUSA-N 2 1 281.488 2.428 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414129511 394711360 /nfs/dbraw/zinc/71/13/60/394711360.db2.gz VBIHNQAVYYFLKV-CYBMUJFWSA-N 2 1 287.411 2.465 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc3c2OCO3)C[C@@H]1C[NH3+] ZINC000422561749 394712015 /nfs/dbraw/zinc/71/20/15/394712015.db2.gz NEEKOTGSXZFQEK-DYEKYZERSA-N 2 1 276.380 2.221 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc3c2OCO3)C[C@H]1C[NH3+] ZINC000422561750 394712050 /nfs/dbraw/zinc/71/20/50/394712050.db2.gz NEEKOTGSXZFQEK-MBNYWOFBSA-N 2 1 276.380 2.221 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]CC[N@@H+]2CCCC2(C)C)cn1 ZINC000414133197 394712464 /nfs/dbraw/zinc/71/24/64/394712464.db2.gz AURCEDSNAPRFLH-AWEZNQCLSA-N 2 1 291.439 2.485 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]CC[N@H+]2CCCC2(C)C)cn1 ZINC000414133197 394712466 /nfs/dbraw/zinc/71/24/66/394712466.db2.gz AURCEDSNAPRFLH-AWEZNQCLSA-N 2 1 291.439 2.485 20 0 CEADMP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358256080 394714173 /nfs/dbraw/zinc/71/41/73/394714173.db2.gz RGPHZHRTKNAFMG-HOTGVXAUSA-N 2 1 262.397 2.040 20 0 CEADMP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358256080 394714177 /nfs/dbraw/zinc/71/41/77/394714177.db2.gz RGPHZHRTKNAFMG-HOTGVXAUSA-N 2 1 262.397 2.040 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](COC)CC(C)C)C1 ZINC000358261501 394714207 /nfs/dbraw/zinc/71/42/07/394714207.db2.gz YJJINDSCVRMSPX-LSDHHAIUSA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358264177 394714696 /nfs/dbraw/zinc/71/46/96/394714696.db2.gz YOLBQEBBKGLBGP-SOUVJXGZSA-N 2 1 256.434 2.103 20 0 CEADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358264177 394714699 /nfs/dbraw/zinc/71/46/99/394714699.db2.gz YOLBQEBBKGLBGP-SOUVJXGZSA-N 2 1 256.434 2.103 20 0 CEADMP Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000414182631 394724646 /nfs/dbraw/zinc/72/46/46/394724646.db2.gz NAYLEDZTZOUWDD-HIFRSBDPSA-N 2 1 276.428 2.193 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)no1 ZINC000414194682 394727528 /nfs/dbraw/zinc/72/75/28/394727528.db2.gz UOPDZJUFRQAKLK-CHWSQXEVSA-N 2 1 251.374 2.366 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000414757486 394751008 /nfs/dbraw/zinc/75/10/08/394751008.db2.gz LFNBRSGSTYZWCR-QZTJIDSGSA-N 2 1 290.451 2.429 20 0 CEADMP COCCOc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422740048 394751160 /nfs/dbraw/zinc/75/11/60/394751160.db2.gz MWNBCWFLNKAUSR-HZPDHXFCSA-N 2 1 292.423 2.461 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC(C)(C)[NH3+])C1 ZINC000414809618 394751927 /nfs/dbraw/zinc/75/19/27/394751927.db2.gz VUDGZIPXAWXSIM-UKRRQHHQSA-N 2 1 261.413 2.149 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC(C)(C)[NH3+])C1 ZINC000414809618 394751932 /nfs/dbraw/zinc/75/19/32/394751932.db2.gz VUDGZIPXAWXSIM-UKRRQHHQSA-N 2 1 261.413 2.149 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(COC)CCC2)[C@@H](C)C1 ZINC000361316870 394822041 /nfs/dbraw/zinc/82/20/41/394822041.db2.gz WLDYFQWXEDFIRB-LSDHHAIUSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(COC)CCC2)[C@@H](C)C1 ZINC000361316870 394822045 /nfs/dbraw/zinc/82/20/45/394822045.db2.gz WLDYFQWXEDFIRB-LSDHHAIUSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(COC)CCC2)[C@@H](C)C1 ZINC000361316870 394822046 /nfs/dbraw/zinc/82/20/46/394822046.db2.gz WLDYFQWXEDFIRB-LSDHHAIUSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422744627 394754524 /nfs/dbraw/zinc/75/45/24/394754524.db2.gz KKFGIJAHJBBVAD-ZMSDIMECSA-N 2 1 273.424 2.386 20 0 CEADMP c1nc([C@@H]2CCCO2)sc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414824987 394754611 /nfs/dbraw/zinc/75/46/11/394754611.db2.gz GLGFGZFTFPFLAH-YPMHNXCESA-N 2 1 281.425 2.084 20 0 CEADMP CNC(=O)c1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000414831660 394759077 /nfs/dbraw/zinc/75/90/77/394759077.db2.gz CVHRWMPVGIEIPN-INIZCTEOSA-N 2 1 289.423 2.043 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414832414 394760305 /nfs/dbraw/zinc/76/03/05/394760305.db2.gz QKQALCBTVREWBG-PBWFPOADSA-N 2 1 270.380 2.015 20 0 CEADMP CC[NH2+]CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414836874 394762182 /nfs/dbraw/zinc/76/21/82/394762182.db2.gz WRNIEANXVJAUPO-RDJZCZTQSA-N 2 1 275.440 2.239 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@H]1CCC[NH2+]1 ZINC000414840710 394764702 /nfs/dbraw/zinc/76/47/02/394764702.db2.gz HCCPCRLUJQWITN-QGZVFWFLSA-N 2 1 289.467 2.486 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC1([NH+](C)C)CCCCC1 ZINC000359599863 394765047 /nfs/dbraw/zinc/76/50/47/394765047.db2.gz UWWBIULCUKHAAR-HUUCEWRRSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)C1C[NH2+]C1 ZINC000422763054 394766823 /nfs/dbraw/zinc/76/68/23/394766823.db2.gz OLIRLRJBXDHWSS-IAQYHMDHSA-N 2 1 281.831 2.140 20 0 CEADMP CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422766266 394768513 /nfs/dbraw/zinc/76/85/13/394768513.db2.gz RDBPBNMRIZKKFK-BZSNNMDCSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422769142 394770789 /nfs/dbraw/zinc/77/07/89/394770789.db2.gz UOTLFXCZHFRIGG-BPQIPLTHSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000422769142 394770790 /nfs/dbraw/zinc/77/07/90/394770790.db2.gz UOTLFXCZHFRIGG-BPQIPLTHSA-N 2 1 287.451 2.239 20 0 CEADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000335492876 394770881 /nfs/dbraw/zinc/77/08/81/394770881.db2.gz SPTAKTFNDQDDSP-RNCFNFMXSA-N 2 1 252.308 2.151 20 0 CEADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCC2 ZINC000335488852 394770977 /nfs/dbraw/zinc/77/09/77/394770977.db2.gz QHUKHMRMDWXWDK-ZBFHGGJFSA-N 2 1 278.371 2.171 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422773776 394774184 /nfs/dbraw/zinc/77/41/84/394774184.db2.gz ZEVPVHIDLOOONW-NEPJUHHUSA-N 2 1 256.296 2.257 20 0 CEADMP Fc1ccc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CCS2 ZINC000335552582 394774696 /nfs/dbraw/zinc/77/46/96/394774696.db2.gz PJGQLOWNDCTREI-GFCCVEGCSA-N 2 1 252.358 2.172 20 0 CEADMP C[C@@H](CCc1ccccc1F)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414859485 394775175 /nfs/dbraw/zinc/77/51/75/394775175.db2.gz AYGKKYLMUVMGAS-JSGCOSHPSA-N 2 1 250.361 2.488 20 0 CEADMP CC[N@H+]1CC[C@H](NCC2([NH3+])CCCCCC2)[C@H](C)C1 ZINC000414862131 394775620 /nfs/dbraw/zinc/77/56/20/394775620.db2.gz UVODCDSTZNPIAT-CABCVRRESA-N 2 1 267.461 2.358 20 0 CEADMP COc1cc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)ccc1C ZINC000422776476 394776607 /nfs/dbraw/zinc/77/66/07/394776607.db2.gz DRPJSDXSQGETEB-IUODEOHRSA-N 2 1 262.397 2.134 20 0 CEADMP CC(C)[C@H]1C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)CCO1 ZINC000414870811 394780204 /nfs/dbraw/zinc/78/02/04/394780204.db2.gz CVXUTNXADHPLDA-IAGOWNOFSA-N 2 1 291.439 2.355 20 0 CEADMP CCCCOCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422784716 394782682 /nfs/dbraw/zinc/78/26/82/394782682.db2.gz QFMILXJNZGRQBE-GDBMZVCRSA-N 2 1 264.413 2.351 20 0 CEADMP CCOc1cc2c(cc1C[NH2+][C@@H](C)C1C[NH2+]C1)O[C@H](C)C2 ZINC000422785956 394784039 /nfs/dbraw/zinc/78/40/39/394784039.db2.gz PVLFCJOZBFHQDC-NEPJUHHUSA-N 2 1 290.407 2.106 20 0 CEADMP CCOc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000414882501 394786411 /nfs/dbraw/zinc/78/64/11/394786411.db2.gz MELVNVYHEQNMIC-UHFFFAOYSA-N 2 1 264.369 2.065 20 0 CEADMP CC(C)Cn1ccnc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422794213 394791393 /nfs/dbraw/zinc/79/13/93/394791393.db2.gz YVOVLVOGUHBTNE-KBPBESRZSA-N 2 1 264.417 2.146 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000414893474 394792808 /nfs/dbraw/zinc/79/28/08/394792808.db2.gz KIQWNTPKYJRLOG-HNNXBMFYSA-N 2 1 270.380 2.212 20 0 CEADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1C[NH2+]C1 ZINC000422842342 394824716 /nfs/dbraw/zinc/82/47/16/394824716.db2.gz YFAURSLJIUIZNR-UONOGXRCSA-N 2 1 293.480 2.158 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)C1C[NH2+]C1 ZINC000422842342 394824718 /nfs/dbraw/zinc/82/47/18/394824718.db2.gz YFAURSLJIUIZNR-UONOGXRCSA-N 2 1 293.480 2.158 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1c[nH+]ccc1N ZINC000422803746 394798740 /nfs/dbraw/zinc/79/87/40/394798740.db2.gz GMRIUSSXWPAXEG-DGCLKSJQSA-N 2 1 269.348 2.148 20 0 CEADMP CC[C@H](CN[C@@H](C)C1C[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000422808590 394801617 /nfs/dbraw/zinc/80/16/17/394801617.db2.gz OOJMEOUYXURZLD-KBXCAEBGSA-N 2 1 287.451 2.021 20 0 CEADMP CC[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)N1CCc2ccccc2C1 ZINC000422808590 394801620 /nfs/dbraw/zinc/80/16/20/394801620.db2.gz OOJMEOUYXURZLD-KBXCAEBGSA-N 2 1 287.451 2.021 20 0 CEADMP C[N@@H+](CCCN[C@@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000422809250 394801894 /nfs/dbraw/zinc/80/18/94/394801894.db2.gz ROGZALCXDOTTFQ-LSDHHAIUSA-N 2 1 253.434 2.110 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]1 ZINC000422810343 394802485 /nfs/dbraw/zinc/80/24/85/394802485.db2.gz RPQAIRVENIFAOY-ILXRZTDVSA-N 2 1 260.381 2.110 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414924645 394806554 /nfs/dbraw/zinc/80/65/54/394806554.db2.gz IWLBMADZKUJTPC-JMSVASOKSA-N 2 1 250.361 2.344 20 0 CEADMP C[C@H](CCN[C@@H](C)C1C[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000422817924 394809154 /nfs/dbraw/zinc/80/91/54/394809154.db2.gz FHGMCGFRMYCZBC-CABCVRRESA-N 2 1 275.440 2.095 20 0 CEADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC(F)(F)C[NH3+])CC1 ZINC000414932321 394809829 /nfs/dbraw/zinc/80/98/29/394809829.db2.gz RYXFDEGVOJWNGW-TZMCWYRMSA-N 2 1 289.414 2.213 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2ccc(F)cc2)CC[NH2+]1 ZINC000414940479 394813326 /nfs/dbraw/zinc/81/33/26/394813326.db2.gz BOCINLPMCPFOPA-TZMCWYRMSA-N 2 1 288.370 2.242 20 0 CEADMP CCc1cccc(F)c1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414940310 394813454 /nfs/dbraw/zinc/81/34/54/394813454.db2.gz KELYBJFRIWUOJR-XHDPSFHLSA-N 2 1 250.361 2.476 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000422825717 394814240 /nfs/dbraw/zinc/81/42/40/394814240.db2.gz AVIKGXZSLIULQX-INMHGKMJSA-N 2 1 273.424 2.101 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414945212 394815508 /nfs/dbraw/zinc/81/55/08/394815508.db2.gz IBOMSTIHUWUQDY-HUUCEWRRSA-N 2 1 284.407 2.411 20 0 CEADMP C[C@H](CCN[C@@H]1CCC[C@@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422832502 394818122 /nfs/dbraw/zinc/81/81/22/394818122.db2.gz XTZLJUPQLWBMMH-HYVNUMGLSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C)C[NH3+] ZINC000414948304 394818358 /nfs/dbraw/zinc/81/83/58/394818358.db2.gz XAVIHWAZFSKSIH-NEPJUHHUSA-N 2 1 297.830 2.014 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C3CCOCC3)C2)CC[NH2+]1 ZINC000414745611 394749753 /nfs/dbraw/zinc/74/97/53/394749753.db2.gz PRMLSOQSNRNXGG-FMKPAKJESA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C3CCOCC3)C2)CC[NH2+]1 ZINC000414745612 394749970 /nfs/dbraw/zinc/74/99/70/394749970.db2.gz PRMLSOQSNRNXGG-IIAWOOMASA-N 2 1 266.429 2.123 20 0 CEADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1 ZINC000422928810 394865310 /nfs/dbraw/zinc/86/53/10/394865310.db2.gz MSUUIIHLLWEKHH-FUNVUKJBSA-N 2 1 264.344 2.207 20 0 CEADMP C[N@@H+](Cc1ccc(-c2ccccc2)s1)C[C@H](O)C[NH3+] ZINC000415058061 394868419 /nfs/dbraw/zinc/86/84/19/394868419.db2.gz RETRSDCIIZGZRU-CYBMUJFWSA-N 2 1 276.405 2.167 20 0 CEADMP C[N@H+](Cc1ccc(-c2ccccc2)s1)C[C@H](O)C[NH3+] ZINC000415058061 394868421 /nfs/dbraw/zinc/86/84/21/394868421.db2.gz RETRSDCIIZGZRU-CYBMUJFWSA-N 2 1 276.405 2.167 20 0 CEADMP CCCC[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415059985 394868652 /nfs/dbraw/zinc/86/86/52/394868652.db2.gz VSJKCJBZAUTIME-QQFBHYJXSA-N 2 1 267.461 2.371 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCCOC1 ZINC000336711374 394870533 /nfs/dbraw/zinc/87/05/33/394870533.db2.gz NIHBRGJBJZHQID-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1-n1cncn1 ZINC000415062732 394870945 /nfs/dbraw/zinc/87/09/45/394870945.db2.gz FWYFKKVARJEVFP-INIZCTEOSA-N 2 1 299.422 2.183 20 0 CEADMP O=c1[nH]c2ccccc2cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415065105 394871794 /nfs/dbraw/zinc/87/17/94/394871794.db2.gz FJFIKSKAPXRHIK-UHFFFAOYSA-N 2 1 271.364 2.172 20 0 CEADMP CCCOc1ncccc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422973650 394872459 /nfs/dbraw/zinc/87/24/59/394872459.db2.gz PENZGSXIPXXKCX-HIFRSBDPSA-N 2 1 277.412 2.348 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415072408 394876117 /nfs/dbraw/zinc/87/61/17/394876117.db2.gz LXOXXJFPVGJTAR-TZMCWYRMSA-N 2 1 250.361 2.488 20 0 CEADMP CCN(CC)c1ncc(C[NH2+]CCC[NH2+]C2CC2)s1 ZINC000415072106 394876215 /nfs/dbraw/zinc/87/62/15/394876215.db2.gz VLJAYEHNGRYKGE-UHFFFAOYSA-N 2 1 282.457 2.221 20 0 CEADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc(N2CCCC2=O)c1 ZINC000415079088 394879128 /nfs/dbraw/zinc/87/91/28/394879128.db2.gz HMLUPHXUCSIEAP-ZDUSSCGKSA-N 2 1 287.407 2.216 20 0 CEADMP C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1c[nH+]ccc1N ZINC000423009933 394880285 /nfs/dbraw/zinc/88/02/85/394880285.db2.gz WNPUMHYEHSYEAU-CYBMUJFWSA-N 2 1 277.412 2.478 20 0 CEADMP COc1cc(F)c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1OC ZINC000415081882 394880792 /nfs/dbraw/zinc/88/07/92/394880792.db2.gz COLNYDBNLYTKTD-RYUDHWBXSA-N 2 1 296.386 2.493 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000414961187 394827358 /nfs/dbraw/zinc/82/73/58/394827358.db2.gz RTALZXBZDWJSTC-RISCZKNCSA-N 2 1 288.420 2.293 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC[NH2+]1 ZINC000414962781 394827487 /nfs/dbraw/zinc/82/74/87/394827487.db2.gz ZZMGZKBIIJFKFF-WMLDXEAASA-N 2 1 284.407 2.162 20 0 CEADMP CO[C@H](C)c1nc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000422849845 394827910 /nfs/dbraw/zinc/82/79/10/394827910.db2.gz MLUCWBSAGHNHOO-NQBHXWOUSA-N 2 1 283.441 2.458 20 0 CEADMP CO[C@H](C)c1nc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000422849846 394827917 /nfs/dbraw/zinc/82/79/17/394827917.db2.gz MLUCWBSAGHNHOO-NTZNESFSSA-N 2 1 283.441 2.458 20 0 CEADMP CC[C@H]([NH3+])CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000414974071 394832564 /nfs/dbraw/zinc/83/25/64/394832564.db2.gz CXTGNCJECKVTMB-WNRNVDISSA-N 3 1 287.451 2.224 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000422862077 394836212 /nfs/dbraw/zinc/83/62/12/394836212.db2.gz JUEAZKWCBYAWGH-ZLDLUXBVSA-N 2 1 288.439 2.125 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000422862077 394836216 /nfs/dbraw/zinc/83/62/16/394836216.db2.gz JUEAZKWCBYAWGH-ZLDLUXBVSA-N 2 1 288.439 2.125 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414986117 394837799 /nfs/dbraw/zinc/83/77/99/394837799.db2.gz XFGHSBXXDHSCMK-OAHLLOKOSA-N 2 1 285.391 2.488 20 0 CEADMP C[C@@H](C[NH2+]C[C@H]1CC[NH2+]CC1(F)F)CC1CCOCC1 ZINC000414992376 394840343 /nfs/dbraw/zinc/84/03/43/394840343.db2.gz BHBKZMRVTYHIKC-TZMCWYRMSA-N 2 1 290.398 2.274 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422874823 394843129 /nfs/dbraw/zinc/84/31/29/394843129.db2.gz DIDNJKTWRJJOAO-BZUAXINKSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422874823 394843132 /nfs/dbraw/zinc/84/31/32/394843132.db2.gz DIDNJKTWRJJOAO-BZUAXINKSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422874823 394843136 /nfs/dbraw/zinc/84/31/36/394843136.db2.gz DIDNJKTWRJJOAO-BZUAXINKSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422878473 394845824 /nfs/dbraw/zinc/84/58/24/394845824.db2.gz JGJMBIUNUTXEFW-QXSJWSMHSA-N 2 1 267.461 2.071 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422878473 394845826 /nfs/dbraw/zinc/84/58/26/394845826.db2.gz JGJMBIUNUTXEFW-QXSJWSMHSA-N 3 1 267.461 2.071 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422878473 394845828 /nfs/dbraw/zinc/84/58/28/394845828.db2.gz JGJMBIUNUTXEFW-QXSJWSMHSA-N 3 1 267.461 2.071 20 0 CEADMP CCOc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1OCC ZINC000415007607 394846380 /nfs/dbraw/zinc/84/63/80/394846380.db2.gz LRKXYUKXUNBUJR-RYUDHWBXSA-N 2 1 266.385 2.309 20 0 CEADMP COc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1Br ZINC000415008106 394847587 /nfs/dbraw/zinc/84/75/87/394847587.db2.gz MKJPTCPFAXTVFE-DTWKUNHWSA-N 2 1 287.201 2.283 20 0 CEADMP C[C@@H]1CCNC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422882604 394848270 /nfs/dbraw/zinc/84/82/70/394848270.db2.gz PFJGYOQVXDQJRV-OWCLPIDISA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000422882604 394848272 /nfs/dbraw/zinc/84/82/72/394848272.db2.gz PFJGYOQVXDQJRV-OWCLPIDISA-N 3 1 267.461 2.229 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000422882604 394848274 /nfs/dbraw/zinc/84/82/74/394848274.db2.gz PFJGYOQVXDQJRV-OWCLPIDISA-N 3 1 267.461 2.229 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415018880 394850839 /nfs/dbraw/zinc/85/08/39/394850839.db2.gz HFVAGWFQCHZRAL-VNQPRFMTSA-N 3 1 261.413 2.197 20 0 CEADMP c1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(-c2ccncc2)c1 ZINC000415030674 394854786 /nfs/dbraw/zinc/85/47/86/394854786.db2.gz FIDPKIPNXFZLHM-FVQHAEBGSA-N 2 1 265.360 2.056 20 0 CEADMP CCCCOc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1OC ZINC000415039192 394859701 /nfs/dbraw/zinc/85/97/01/394859701.db2.gz OSCASLWEHBCYJB-HALDLXJZSA-N 2 1 290.407 2.182 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422910241 394859699 /nfs/dbraw/zinc/85/96/99/394859699.db2.gz PXNCYRBFZPLQEU-OLZOCXBDSA-N 2 1 278.444 2.230 20 0 CEADMP CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422910241 394859700 /nfs/dbraw/zinc/85/97/00/394859700.db2.gz PXNCYRBFZPLQEU-OLZOCXBDSA-N 2 1 278.444 2.230 20 0 CEADMP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000415039896 394859788 /nfs/dbraw/zinc/85/97/88/394859788.db2.gz OPFQNYPHDUWWEY-TZMCWYRMSA-N 2 1 270.380 2.294 20 0 CEADMP C[C@@H]([NH2+]C[C@](C)(CO)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423109567 394886559 /nfs/dbraw/zinc/88/65/59/394886559.db2.gz NTJXNNZWEWMULO-HYVNUMGLSA-N 2 1 276.424 2.057 20 0 CEADMP COCCOc1ccc(C[NH2+]C[C@@H]([NH3+])CC(C)C)cc1 ZINC000415092946 394886735 /nfs/dbraw/zinc/88/67/35/394886735.db2.gz UKDMKWFPDMFMPY-HNNXBMFYSA-N 2 1 280.412 2.175 20 0 CEADMP CCC[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000337304197 394887649 /nfs/dbraw/zinc/88/76/49/394887649.db2.gz RIAXOVPPSVTKCH-OWCLPIDISA-N 2 1 267.461 2.133 20 0 CEADMP Cc1cc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc2cccnc12 ZINC000415101539 394890518 /nfs/dbraw/zinc/89/05/18/394890518.db2.gz CEBBQBKNXSHYPC-MRXNPFEDSA-N 2 1 285.391 2.093 20 0 CEADMP Cc1cc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc2cccnc12 ZINC000415101539 394890519 /nfs/dbraw/zinc/89/05/19/394890519.db2.gz CEBBQBKNXSHYPC-MRXNPFEDSA-N 2 1 285.391 2.093 20 0 CEADMP C[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000415103166 394891606 /nfs/dbraw/zinc/89/16/06/394891606.db2.gz CSMOEQIWXSNKLT-YOEHRIQHSA-N 2 1 288.435 2.471 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423340929 394892600 /nfs/dbraw/zinc/89/26/00/394892600.db2.gz WAUYKLPGPMYWOJ-GDBMZVCRSA-N 2 1 295.471 2.275 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N(C)CCC[NH+]1CCCC1 ZINC000282012678 394896017 /nfs/dbraw/zinc/89/60/17/394896017.db2.gz XCQIEYFPWKUQIG-UHFFFAOYSA-N 2 1 291.395 2.180 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000415125469 394897431 /nfs/dbraw/zinc/89/74/31/394897431.db2.gz LGDOINUWFIZAAT-YPMHNXCESA-N 2 1 288.395 2.395 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000423362559 394901055 /nfs/dbraw/zinc/90/10/55/394901055.db2.gz BFTZOGVJHPJGJV-OLMNPRSZSA-N 2 1 296.418 2.348 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000415136337 394901444 /nfs/dbraw/zinc/90/14/44/394901444.db2.gz RSDQAFZFJUHXRU-UHFFFAOYSA-N 2 1 272.396 2.426 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000415136337 394901446 /nfs/dbraw/zinc/90/14/46/394901446.db2.gz RSDQAFZFJUHXRU-UHFFFAOYSA-N 2 1 272.396 2.426 20 0 CEADMP CCn1nc(C)c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c1C ZINC000423363974 394901537 /nfs/dbraw/zinc/90/15/37/394901537.db2.gz OLBSINQLJHYBJY-SMDDNHRTSA-N 2 1 264.417 2.313 20 0 CEADMP Cc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000282046445 394901528 /nfs/dbraw/zinc/90/15/28/394901528.db2.gz AUUDYNMOYAGIDX-UHFFFAOYSA-N 2 1 293.430 2.250 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000415135836 394901536 /nfs/dbraw/zinc/90/15/36/394901536.db2.gz QXHXYFUHYOENET-KRWDZBQOSA-N 2 1 292.423 2.286 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000415135836 394901539 /nfs/dbraw/zinc/90/15/39/394901539.db2.gz QXHXYFUHYOENET-KRWDZBQOSA-N 2 1 292.423 2.286 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)CC(F)(F)F)C2)CC1 ZINC000366889799 394954214 /nfs/dbraw/zinc/95/42/14/394954214.db2.gz YFUPMUHGWYHIDH-LBPRGKRZSA-N 2 1 294.361 2.108 20 0 CEADMP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H](C)C[NH3+])c2ccccc21 ZINC000423384422 394908387 /nfs/dbraw/zinc/90/83/87/394908387.db2.gz FXZBHIGWXAQYEM-CQDKDKBSSA-N 2 1 276.380 2.105 20 0 CEADMP CC[C@H](C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+](C)C ZINC000338205091 394909002 /nfs/dbraw/zinc/90/90/02/394909002.db2.gz PWAUZQGXXBGQET-XUWVNRHRSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423393438 394912720 /nfs/dbraw/zinc/91/27/20/394912720.db2.gz REFZDKPXWLAMQI-LSDHHAIUSA-N 2 1 278.444 2.276 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2[NH2+]CCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000423429562 394920446 /nfs/dbraw/zinc/92/04/46/394920446.db2.gz PAVIHERKTYLRBS-XWSJACJDSA-N 2 1 299.462 2.336 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCO2)[C@H](C)C1 ZINC000131941912 394921841 /nfs/dbraw/zinc/92/18/41/394921841.db2.gz MZXKIMLRFWYHEV-IKGGRYGDSA-N 2 1 298.471 2.282 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H]1CSCCc2ccccc21 ZINC000423484776 394931170 /nfs/dbraw/zinc/93/11/70/394931170.db2.gz YWWXBXJTWQXHNG-JSGCOSHPSA-N 2 1 250.411 2.344 20 0 CEADMP Cc1nccn1CCCC[N@H+](C)Cc1cccnc1 ZINC000132474990 394931885 /nfs/dbraw/zinc/93/18/85/394931885.db2.gz IIILYEWKPNJYDZ-UHFFFAOYSA-N 2 1 258.369 2.499 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cccnc1 ZINC000132474990 394931887 /nfs/dbraw/zinc/93/18/87/394931887.db2.gz IIILYEWKPNJYDZ-UHFFFAOYSA-N 2 1 258.369 2.499 20 0 CEADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCC2 ZINC000423497505 394935001 /nfs/dbraw/zinc/93/50/01/394935001.db2.gz ZBIUPSIMBWCVGZ-VXGBXAGGSA-N 2 1 295.452 2.051 20 0 CEADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423493741 394935081 /nfs/dbraw/zinc/93/50/81/394935081.db2.gz QZUYGVFPGNCZGM-IGCXYCKISA-N 2 1 292.398 2.417 20 0 CEADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000423499249 394936473 /nfs/dbraw/zinc/93/64/73/394936473.db2.gz JEQNVVLJOQUDFF-MORSLUCNSA-N 2 1 287.451 2.321 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)CO2 ZINC000423502056 394937045 /nfs/dbraw/zinc/93/70/45/394937045.db2.gz LSVAFHXVZUCYLS-GOEBONIOSA-N 2 1 290.407 2.106 20 0 CEADMP CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423501365 394937366 /nfs/dbraw/zinc/93/73/66/394937366.db2.gz CROKPGWFZDSZGQ-WXLSXGNJSA-N 2 1 267.461 2.227 20 0 CEADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423506522 394940243 /nfs/dbraw/zinc/94/02/43/394940243.db2.gz HBTOYTFZXMDSOL-NVXWUHKLSA-N 2 1 290.407 2.041 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000423521726 394944235 /nfs/dbraw/zinc/94/42/35/394944235.db2.gz REIUHHOPSRAXQL-BRWVUGGUSA-N 2 1 287.451 2.062 20 0 CEADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423568593 394952916 /nfs/dbraw/zinc/95/29/16/394952916.db2.gz VQRGUPMVPIGYJI-CABCVRRESA-N 2 1 289.423 2.160 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423780832 394983786 /nfs/dbraw/zinc/98/37/86/394983786.db2.gz WUMXSTWCUPLLON-HNSVSWJLSA-N 2 1 295.471 2.144 20 0 CEADMP Cn1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340354449 394984328 /nfs/dbraw/zinc/98/43/28/394984328.db2.gz UINXINAOQLUIPN-MSOLQXFVSA-N 2 1 298.434 2.388 20 0 CEADMP Cn1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340354449 394984334 /nfs/dbraw/zinc/98/43/34/394984334.db2.gz UINXINAOQLUIPN-MSOLQXFVSA-N 2 1 298.434 2.388 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415953467 394986880 /nfs/dbraw/zinc/98/68/80/394986880.db2.gz HANBIHXZDHGRAF-CYBMUJFWSA-N 2 1 292.427 2.387 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000340520426 394987595 /nfs/dbraw/zinc/98/75/95/394987595.db2.gz WHTKVHVADONZHR-YJNKXOJESA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000340520426 394987598 /nfs/dbraw/zinc/98/75/98/394987598.db2.gz WHTKVHVADONZHR-YJNKXOJESA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)n1ccnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342102094 395009876 /nfs/dbraw/zinc/00/98/76/395009876.db2.gz LOYHPKONMGVYHH-MJBXVCDLSA-N 2 1 262.401 2.023 20 0 CEADMP CC(C)n1ccnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342102094 395009880 /nfs/dbraw/zinc/00/98/80/395009880.db2.gz LOYHPKONMGVYHH-MJBXVCDLSA-N 2 1 262.401 2.023 20 0 CEADMP CC[NH+](CC)CCCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339435890 394960193 /nfs/dbraw/zinc/96/01/93/394960193.db2.gz FRXXHJCBAJGVFL-INIZCTEOSA-N 3 1 267.461 2.136 20 0 CEADMP CC[C@@H](C(=O)N[C@H](C)CCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000423690020 394966941 /nfs/dbraw/zinc/96/69/41/394966941.db2.gz NPZJDTXJLGGALM-ZBFHGGJFSA-N 2 1 291.439 2.141 20 0 CEADMP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000423702833 394970055 /nfs/dbraw/zinc/97/00/55/394970055.db2.gz YYSNQCRMNLCGQX-UHFFFAOYSA-N 2 1 282.347 2.003 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000423752930 394976555 /nfs/dbraw/zinc/97/65/55/394976555.db2.gz BDRBKYJQYUGLFU-YOEHRIQHSA-N 2 1 291.439 2.097 20 0 CEADMP CCc1noc([C@@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000158789401 395053272 /nfs/dbraw/zinc/05/32/72/395053272.db2.gz BRLQKTGMJBGUCK-JHJVBQTASA-N 2 1 278.400 2.109 20 0 CEADMP Cc1[nH+]ccn1CCCCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000161870258 395065872 /nfs/dbraw/zinc/06/58/72/395065872.db2.gz KFQRZDOFDXQSIX-GOEBONIOSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1[nH+]ccn1CCCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000161870258 395065877 /nfs/dbraw/zinc/06/58/77/395065877.db2.gz KFQRZDOFDXQSIX-GOEBONIOSA-N 2 1 276.428 2.140 20 0 CEADMP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ncn1 ZINC000161909322 395067310 /nfs/dbraw/zinc/06/73/10/395067310.db2.gz LTFIJYVFQXXRHY-UKRRQHHQSA-N 2 1 272.396 2.238 20 0 CEADMP CC(C)[NH2+]CC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374068704 395071426 /nfs/dbraw/zinc/07/14/26/395071426.db2.gz NCVTUJBDNYNVPL-QXSJWSMHSA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)[NH2+]CC[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374068704 395071430 /nfs/dbraw/zinc/07/14/30/395071430.db2.gz NCVTUJBDNYNVPL-QXSJWSMHSA-N 2 1 268.445 2.246 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000162284632 395073084 /nfs/dbraw/zinc/07/30/84/395073084.db2.gz XYBFHRGFKOTMEW-QWHCGFSZSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000162284632 395073087 /nfs/dbraw/zinc/07/30/87/395073087.db2.gz XYBFHRGFKOTMEW-QWHCGFSZSA-N 2 1 251.374 2.081 20 0 CEADMP COCCN(CC[C@H]1CCC[N@H+]1C)Cc1ccccn1 ZINC000287370426 395039505 /nfs/dbraw/zinc/03/95/05/395039505.db2.gz MKMKGJSMHJVTEA-MRXNPFEDSA-N 2 1 277.412 2.014 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000347058432 395117800 /nfs/dbraw/zinc/11/78/00/395117800.db2.gz WNUQCFFQVAWBPB-NEPJUHHUSA-N 2 1 264.417 2.266 20 0 CEADMP CC(C)[C@H]1C[N@@H+](C)CCN1CCC[NH+]1CCCCC1 ZINC000436484700 395120395 /nfs/dbraw/zinc/12/03/95/395120395.db2.gz NKCCOHZVLKAUCK-MRXNPFEDSA-N 2 1 267.461 2.134 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000348001472 395132711 /nfs/dbraw/zinc/13/27/11/395132711.db2.gz LJVUYORIFRIPEA-CVEARBPZSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000348001472 395132719 /nfs/dbraw/zinc/13/27/19/395132719.db2.gz LJVUYORIFRIPEA-CVEARBPZSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc2c1OCCCO2 ZINC000346692988 395104243 /nfs/dbraw/zinc/10/42/43/395104243.db2.gz KESWJGBSOUSPFC-QWHCGFSZSA-N 2 1 276.380 2.017 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc2c1OCCCO2 ZINC000346692988 395104244 /nfs/dbraw/zinc/10/42/44/395104244.db2.gz KESWJGBSOUSPFC-QWHCGFSZSA-N 2 1 276.380 2.017 20 0 CEADMP COCc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)o1 ZINC000290605216 395110147 /nfs/dbraw/zinc/11/01/47/395110147.db2.gz WETCROAMIVTKFV-WFASDCNBSA-N 2 1 266.385 2.198 20 0 CEADMP COCc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)o1 ZINC000290605216 395110150 /nfs/dbraw/zinc/11/01/50/395110150.db2.gz WETCROAMIVTKFV-WFASDCNBSA-N 2 1 266.385 2.198 20 0 CEADMP C[C@@H]([NH2+]CC1(C)COC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347939890 395131754 /nfs/dbraw/zinc/13/17/54/395131754.db2.gz VJROCDYDRYHSCA-ZIAGYGMSSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1cnc([C@@H](C)[N@@H+](C)CCCn2ccnc2)cn1 ZINC000428303267 395145012 /nfs/dbraw/zinc/14/50/12/395145012.db2.gz SAWJNJYOTGPTQZ-CYBMUJFWSA-N 2 1 259.357 2.065 20 0 CEADMP CO[C@H](C[N@@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000379178189 395162085 /nfs/dbraw/zinc/16/20/85/395162085.db2.gz FWWNIYYNXLEPFU-CQSZACIVSA-N 2 1 250.386 2.291 20 0 CEADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000380322760 395167927 /nfs/dbraw/zinc/16/79/27/395167927.db2.gz ONFAQGTVPNJHSM-WBVHZDCISA-N 2 1 274.408 2.366 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000380322760 395167929 /nfs/dbraw/zinc/16/79/29/395167929.db2.gz ONFAQGTVPNJHSM-WBVHZDCISA-N 2 1 274.408 2.366 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](OC)c2ccccc2)C1 ZINC000380867162 395169616 /nfs/dbraw/zinc/16/96/16/395169616.db2.gz GNOTUIDFIJBLFL-HOCLYGCPSA-N 2 1 262.397 2.306 20 0 CEADMP C[C@H](CCNC(=O)CC(C)(C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000178857632 395175133 /nfs/dbraw/zinc/17/51/33/395175133.db2.gz UEWODGWWSVGBCI-CQSZACIVSA-N 2 1 291.439 2.141 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1csc(Br)c1 ZINC000397993971 395231406 /nfs/dbraw/zinc/23/14/06/395231406.db2.gz JRRCARCTGGUZPK-MRVPVSSYSA-N 2 1 277.231 2.456 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1c[nH+]ccc1N ZINC000520216714 395237155 /nfs/dbraw/zinc/23/71/55/395237155.db2.gz VHSULMQYTPNHDV-LLVKDONJSA-N 2 1 281.363 2.232 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000352177442 395246179 /nfs/dbraw/zinc/24/61/79/395246179.db2.gz BRIBVYWNRNMUMS-PMPSAXMXSA-N 2 1 297.487 2.390 20 0 CEADMP Cc1ncc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000400051963 395248948 /nfs/dbraw/zinc/24/89/48/395248948.db2.gz DKLMLXWBRIFVDV-CMPLNLGQSA-N 2 1 253.415 2.271 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@H]1CC[NH2+]C1 ZINC000382766731 395183052 /nfs/dbraw/zinc/18/30/52/395183052.db2.gz WATQYHJYBJGIEI-WMZOPIPTSA-N 2 1 287.451 2.192 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434424756 395298353 /nfs/dbraw/zinc/29/83/53/395298353.db2.gz KLVMWMBTTSFOFN-DZGCQCFKSA-N 2 1 295.471 2.286 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353497537 395299840 /nfs/dbraw/zinc/29/98/40/395299840.db2.gz PDBUXILPZJOPEK-CAOSSQGBSA-N 2 1 267.461 2.179 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353497537 395299842 /nfs/dbraw/zinc/29/98/42/395299842.db2.gz PDBUXILPZJOPEK-CAOSSQGBSA-N 2 1 267.461 2.179 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353497537 395299845 /nfs/dbraw/zinc/29/98/45/395299845.db2.gz PDBUXILPZJOPEK-CAOSSQGBSA-N 2 1 267.461 2.179 20 0 CEADMP CCC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353515908 395300512 /nfs/dbraw/zinc/30/05/12/395300512.db2.gz IIVLDIFFNAZVOS-QKPAOTATSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@](C[NH3+])([NH2+]CCCCC1CCOCC1)C1CC1 ZINC000420296500 395302315 /nfs/dbraw/zinc/30/23/15/395302315.db2.gz CCBCBVUEOIUCNK-OAHLLOKOSA-N 2 1 254.418 2.300 20 0 CEADMP C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420299248 395303569 /nfs/dbraw/zinc/30/35/69/395303569.db2.gz IMVBVTLIMDXBCE-VYDXJSESSA-N 2 1 274.408 2.448 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc2c(c1)OCO2 ZINC000420300574 395306395 /nfs/dbraw/zinc/30/63/95/395306395.db2.gz IBVPMHADHLGGGI-ZDUSSCGKSA-N 2 1 276.380 2.237 20 0 CEADMP CCOC(=O)CCCC[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000420301662 395307989 /nfs/dbraw/zinc/30/79/89/395307989.db2.gz ASKINLMAMPKDIG-AWEZNQCLSA-N 2 1 270.417 2.184 20 0 CEADMP OCC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000420304390 395309101 /nfs/dbraw/zinc/30/91/01/395309101.db2.gz OJGCKUYQHHAYEZ-YJBOKZPZSA-N 2 1 288.435 2.358 20 0 CEADMP Fc1ccc2c(c1)[C@@H]([N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000420309456 395312922 /nfs/dbraw/zinc/31/29/22/395312922.db2.gz LLSQGNGKJOCBQN-ZENOOKHLSA-N 2 1 260.356 2.354 20 0 CEADMP CCN(CC)CC[N@@H+](CC[C@H]1CC[NH2+]C1)CC(C)C ZINC000420308158 395312954 /nfs/dbraw/zinc/31/29/54/395312954.db2.gz CPRCBVMHFRGQNC-MRXNPFEDSA-N 2 1 269.477 2.286 20 0 CEADMP C[C@@H](O)C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000420312824 395316330 /nfs/dbraw/zinc/31/63/30/395316330.db2.gz XIXPOOMHKBDUKI-KGLIPLIRSA-N 2 1 254.418 2.002 20 0 CEADMP COC(=O)c1ccccc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000420317896 395319973 /nfs/dbraw/zinc/31/99/73/395319973.db2.gz PDMPDURIUZTURM-AWEZNQCLSA-N 2 1 276.380 2.177 20 0 CEADMP COC(=O)c1ccccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000420317896 395319976 /nfs/dbraw/zinc/31/99/76/395319976.db2.gz PDMPDURIUZTURM-AWEZNQCLSA-N 2 1 276.380 2.177 20 0 CEADMP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)C(C)C ZINC000420318758 395321556 /nfs/dbraw/zinc/32/15/56/395321556.db2.gz OTTRZTXNKVPXKG-AWEZNQCLSA-N 2 1 250.386 2.468 20 0 CEADMP COC(=O)[C@H](c1ccsc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420317999 395321596 /nfs/dbraw/zinc/32/15/96/395321596.db2.gz VHJFNYHVPVAVLS-YPMHNXCESA-N 2 1 282.409 2.023 20 0 CEADMP COC(=O)[C@H](c1ccsc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420317999 395321599 /nfs/dbraw/zinc/32/15/99/395321599.db2.gz VHJFNYHVPVAVLS-YPMHNXCESA-N 2 1 282.409 2.023 20 0 CEADMP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@H](C[NH3+])C1CC1 ZINC000420320143 395321812 /nfs/dbraw/zinc/32/18/12/395321812.db2.gz SWIKNSFRKKFTOE-CQSZACIVSA-N 2 1 295.814 2.338 20 0 CEADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@H](C[NH3+])C1CC1 ZINC000420320143 395321816 /nfs/dbraw/zinc/32/18/16/395321816.db2.gz SWIKNSFRKKFTOE-CQSZACIVSA-N 2 1 295.814 2.338 20 0 CEADMP COCC[NH+]1CCC([NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC000526049531 395274945 /nfs/dbraw/zinc/27/49/45/395274945.db2.gz MRMJFXSZPOLSBR-UHFFFAOYSA-N 2 1 298.377 2.208 20 0 CEADMP CC[C@H]1[C@H](C)CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420367063 395353641 /nfs/dbraw/zinc/35/36/41/395353641.db2.gz GMUDURJPCDVCNY-IWCQGFGOSA-N 2 1 276.424 2.038 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](C)[C@@H](OC)C2)cc1 ZINC000420367303 395354063 /nfs/dbraw/zinc/35/40/63/395354063.db2.gz VJKROLYWPJPNST-LXZKKBNFSA-N 2 1 292.423 2.094 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000420369303 395356016 /nfs/dbraw/zinc/35/60/16/395356016.db2.gz OIFFJUUHYSAGRH-BFQNTYOBSA-N 2 1 293.386 2.130 20 0 CEADMP CC[C@H](F)C[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000440790814 395357058 /nfs/dbraw/zinc/35/70/58/395357058.db2.gz GGDMCRMBDKSLFS-UONOGXRCSA-N 2 1 260.397 2.167 20 0 CEADMP CCOc1ccc(OCC[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1 ZINC000420374457 395360320 /nfs/dbraw/zinc/36/03/20/395360320.db2.gz SBQYJRFMTKBBQF-CKEIUWERSA-N 2 1 292.423 2.440 20 0 CEADMP CCOc1ccc(OCC[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420374458 395361103 /nfs/dbraw/zinc/36/11/03/395361103.db2.gz SBQYJRFMTKBBQF-GRDNDAEWSA-N 2 1 292.423 2.440 20 0 CEADMP CC[N@@H+](CCC1CCN(CC[NH3+])CC1)CC(C)C ZINC000420378948 395364350 /nfs/dbraw/zinc/36/43/50/395364350.db2.gz UUNIMILGANMZOB-UHFFFAOYSA-N 2 1 255.450 2.025 20 0 CEADMP CC[N@H+](CCC1CC[NH+](CCN)CC1)CC(C)C ZINC000420378948 395364353 /nfs/dbraw/zinc/36/43/53/395364353.db2.gz UUNIMILGANMZOB-UHFFFAOYSA-N 2 1 255.450 2.025 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](CCN)CC1)CC(C)C ZINC000420378948 395364360 /nfs/dbraw/zinc/36/43/60/395364360.db2.gz UUNIMILGANMZOB-UHFFFAOYSA-N 2 1 255.450 2.025 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCOCCOc1ccccc1 ZINC000420377767 395364437 /nfs/dbraw/zinc/36/44/37/395364437.db2.gz WOOHUFYFVHXHRF-INMHGKMJSA-N 2 1 292.423 2.058 20 0 CEADMP CC[N@H+](Cc1cncc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435371623 395367501 /nfs/dbraw/zinc/36/75/01/395367501.db2.gz OCMRYKMFBWTCEG-AWEZNQCLSA-N 2 1 251.349 2.185 20 0 CEADMP CC[N@@H+](Cc1cncc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435371623 395367508 /nfs/dbraw/zinc/36/75/08/395367508.db2.gz OCMRYKMFBWTCEG-AWEZNQCLSA-N 2 1 251.349 2.185 20 0 CEADMP COCCCCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420393933 395369004 /nfs/dbraw/zinc/36/90/04/395369004.db2.gz KFGFAGMFNKCDMO-CABCVRRESA-N 2 1 254.418 2.267 20 0 CEADMP CCc1noc(C)c1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435613004 395377461 /nfs/dbraw/zinc/37/74/61/395377461.db2.gz ACJTXMNBMBQJBX-LBPRGKRZSA-N 2 1 251.374 2.119 20 0 CEADMP CCc1noc(C)c1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435613004 395377464 /nfs/dbraw/zinc/37/74/64/395377464.db2.gz ACJTXMNBMBQJBX-LBPRGKRZSA-N 2 1 251.374 2.119 20 0 CEADMP CC[N@@H+](CCC(=O)Nc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435617947 395378918 /nfs/dbraw/zinc/37/89/18/395378918.db2.gz XNSGDASHRWOCDL-INIZCTEOSA-N 2 1 289.423 2.479 20 0 CEADMP COCCCC[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435736234 395384910 /nfs/dbraw/zinc/38/49/10/395384910.db2.gz VISBXRKNEHPZJV-CQSZACIVSA-N 2 1 297.468 2.290 20 0 CEADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420328499 395329122 /nfs/dbraw/zinc/32/91/22/395329122.db2.gz MQRLWWVQRYJOBG-QLFBSQMISA-N 2 1 259.397 2.464 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000189656251 395330746 /nfs/dbraw/zinc/33/07/46/395330746.db2.gz UDZYQDGAKWEFSN-CYBMUJFWSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000189656251 395330750 /nfs/dbraw/zinc/33/07/50/395330750.db2.gz UDZYQDGAKWEFSN-CYBMUJFWSA-N 2 1 254.418 2.360 20 0 CEADMP CCCCc1noc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420330480 395330926 /nfs/dbraw/zinc/33/09/26/395330926.db2.gz PVIFYWUZFXNLAM-KBPBESRZSA-N 2 1 292.427 2.234 20 0 CEADMP CN(CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420328746 395331122 /nfs/dbraw/zinc/33/11/22/395331122.db2.gz MXYBSIORWSNYBL-IRXDYDNUSA-N 2 1 287.451 2.444 20 0 CEADMP c1cc2ccc(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)cc2[nH]1 ZINC000529526932 395396275 /nfs/dbraw/zinc/39/62/75/395396275.db2.gz BHXOGUVJLPNMQX-INIZCTEOSA-N 2 1 299.418 2.322 20 0 CEADMP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420340494 395335967 /nfs/dbraw/zinc/33/59/67/395335967.db2.gz PNTXWDVVJNOJGL-GASCZTMLSA-N 2 1 298.434 2.047 20 0 CEADMP Cc1ccc2[nH+]ccc(NCC[N@@H+]3CCO[C@H](C)C3)c2c1 ZINC000544856981 395463797 /nfs/dbraw/zinc/46/37/97/395463797.db2.gz JTQIKFJDGCDQCE-CQSZACIVSA-N 2 1 285.391 2.098 20 0 CEADMP Cc1ccc2[nH+]ccc(NCC[N@H+]3CCO[C@H](C)C3)c2c1 ZINC000544856981 395463800 /nfs/dbraw/zinc/46/38/00/395463800.db2.gz JTQIKFJDGCDQCE-CQSZACIVSA-N 2 1 285.391 2.098 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000444600390 395439310 /nfs/dbraw/zinc/43/93/10/395439310.db2.gz VVQTVKBIUFBMBB-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000444600390 395439315 /nfs/dbraw/zinc/43/93/15/395439315.db2.gz VVQTVKBIUFBMBB-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP CC[NH+]1CCC(NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000448033230 395508702 /nfs/dbraw/zinc/50/87/02/395508702.db2.gz YGUWQCOMSABVRE-HNNXBMFYSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC([NH2+]C[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000448033230 395508703 /nfs/dbraw/zinc/50/87/03/395508703.db2.gz YGUWQCOMSABVRE-HNNXBMFYSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCCC[NH+]1CCC1 ZINC000566475450 395529135 /nfs/dbraw/zinc/52/91/35/395529135.db2.gz ZSBYJUCSXGKMNE-WMZOPIPTSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000566482675 395529952 /nfs/dbraw/zinc/52/99/52/395529952.db2.gz WBDMKAKHHBTSMC-JLSDUUJJSA-N 2 1 287.451 2.293 20 0 CEADMP C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000566482675 395529953 /nfs/dbraw/zinc/52/99/53/395529953.db2.gz WBDMKAKHHBTSMC-JLSDUUJJSA-N 2 1 287.451 2.293 20 0 CEADMP CC[NH2+]Cc1cccc(NC(=O)N(C)Cc2cnc[nH]2)c1 ZINC000566504198 395532371 /nfs/dbraw/zinc/53/23/71/395532371.db2.gz DPVQKEZITRAQFZ-UHFFFAOYSA-N 2 1 287.367 2.183 20 0 CEADMP Cn1cncc1CCC[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000565841784 395486620 /nfs/dbraw/zinc/48/66/20/395486620.db2.gz LCGAUTSLRPWZNJ-AWEZNQCLSA-N 2 1 267.417 2.082 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000565841784 395486621 /nfs/dbraw/zinc/48/66/21/395486621.db2.gz LCGAUTSLRPWZNJ-AWEZNQCLSA-N 2 1 267.417 2.082 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000565841784 395486625 /nfs/dbraw/zinc/48/66/25/395486625.db2.gz LCGAUTSLRPWZNJ-AWEZNQCLSA-N 2 1 267.417 2.082 20 0 CEADMP COC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000446749532 395498043 /nfs/dbraw/zinc/49/80/43/395498043.db2.gz BCQXZHZDICEAHG-CJNGLKHVSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000566158626 395503277 /nfs/dbraw/zinc/50/32/77/395503277.db2.gz OMRXNZBGQYGFBB-SOUVJXGZSA-N 2 1 283.460 2.131 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CCc1cc2ccccc2o1)C1CC1 ZINC000573677041 395614150 /nfs/dbraw/zinc/61/41/50/395614150.db2.gz QFMIHMVEFJMKCX-HNNXBMFYSA-N 2 1 288.391 2.020 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CCc1cc2ccccc2o1)C1CC1 ZINC000573677041 395614152 /nfs/dbraw/zinc/61/41/52/395614152.db2.gz QFMIHMVEFJMKCX-HNNXBMFYSA-N 2 1 288.391 2.020 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)Cc1cccc(F)c1 ZINC000573694627 395616025 /nfs/dbraw/zinc/61/60/25/395616025.db2.gz FZYJUZHHHVVGHJ-CJNGLKHVSA-N 2 1 282.403 2.001 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)Cc1cccc(F)c1 ZINC000573694627 395616028 /nfs/dbraw/zinc/61/60/28/395616028.db2.gz FZYJUZHHHVVGHJ-CJNGLKHVSA-N 2 1 282.403 2.001 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000573694627 395616030 /nfs/dbraw/zinc/61/60/30/395616030.db2.gz FZYJUZHHHVVGHJ-CJNGLKHVSA-N 2 1 282.403 2.001 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000573694627 395616034 /nfs/dbraw/zinc/61/60/34/395616034.db2.gz FZYJUZHHHVVGHJ-CJNGLKHVSA-N 2 1 282.403 2.001 20 0 CEADMP Cc1ccc(F)c(C[NH2+]C2(CCO)CCN(C)CC2)c1 ZINC000568239786 395553206 /nfs/dbraw/zinc/55/32/06/395553206.db2.gz UIQTZCKXJBBUPF-UHFFFAOYSA-N 2 1 280.387 2.071 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561274 395554719 /nfs/dbraw/zinc/55/47/19/395554719.db2.gz UCWXHBJNKYYVNY-IXIBIKRGSA-N 2 1 266.429 2.406 20 0 CEADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC3CCCCCC3)C2)nn1 ZINC000568367716 395555798 /nfs/dbraw/zinc/55/57/98/395555798.db2.gz PUXCCOWWHSYHBI-MRXNPFEDSA-N 2 1 291.443 2.344 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000568447340 395559963 /nfs/dbraw/zinc/55/99/63/395559963.db2.gz OSPKVHYSDMQIER-SNVBAGLBSA-N 2 1 290.333 2.248 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000568447340 395559964 /nfs/dbraw/zinc/55/99/64/395559964.db2.gz OSPKVHYSDMQIER-SNVBAGLBSA-N 2 1 290.333 2.248 20 0 CEADMP COc1nc2ccccc2cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000572850801 395591234 /nfs/dbraw/zinc/59/12/34/395591234.db2.gz HUOVKJNYNBTKKS-OAHLLOKOSA-N 2 1 285.391 2.475 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000574096683 395626602 /nfs/dbraw/zinc/62/66/02/395626602.db2.gz DXQYGLBJXMXUSS-UONOGXRCSA-N 2 1 278.396 2.276 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)CCC[NH3+] ZINC000574637505 395633901 /nfs/dbraw/zinc/63/39/01/395633901.db2.gz LMNQYOGUYLCCAQ-UHFFFAOYSA-N 2 1 252.406 2.036 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)CCC[NH3+] ZINC000574637505 395633902 /nfs/dbraw/zinc/63/39/02/395633902.db2.gz LMNQYOGUYLCCAQ-UHFFFAOYSA-N 2 1 252.406 2.036 20 0 CEADMP Fc1ccc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)c(F)c1 ZINC000574917269 395640963 /nfs/dbraw/zinc/64/09/63/395640963.db2.gz ZRUDZPIVGSUUOC-INIZCTEOSA-N 2 1 296.361 2.338 20 0 CEADMP Fc1ccc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)c(F)c1 ZINC000574917269 395640965 /nfs/dbraw/zinc/64/09/65/395640965.db2.gz ZRUDZPIVGSUUOC-INIZCTEOSA-N 2 1 296.361 2.338 20 0 CEADMP COCC(C)(C)C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000494001295 395678471 /nfs/dbraw/zinc/67/84/71/395678471.db2.gz ZTZWQBPARYGENY-LBPRGKRZSA-N 2 1 253.390 2.090 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000494031584 395678868 /nfs/dbraw/zinc/67/88/68/395678868.db2.gz FBQKFGPGFVTVKK-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000494031584 395678869 /nfs/dbraw/zinc/67/88/69/395678869.db2.gz FBQKFGPGFVTVKK-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000494031584 395678870 /nfs/dbraw/zinc/67/88/70/395678870.db2.gz FBQKFGPGFVTVKK-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000494031584 395678871 /nfs/dbraw/zinc/67/88/71/395678871.db2.gz FBQKFGPGFVTVKK-UONOGXRCSA-N 2 1 299.459 2.316 20 0 CEADMP CCOC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344447 395707046 /nfs/dbraw/zinc/70/70/46/395707046.db2.gz QTLNOJMHHSAJEF-OIISXLGYSA-N 2 1 276.424 2.346 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc4c(s3)CCC4)C[C@@H]21 ZINC000647511818 395724000 /nfs/dbraw/zinc/72/40/00/395724000.db2.gz IJNVHEOJGSETIA-SDDRHHMPSA-N 2 1 277.437 2.191 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc4c(s3)CCC4)C[C@@H]21 ZINC000647511818 395724002 /nfs/dbraw/zinc/72/40/02/395724002.db2.gz IJNVHEOJGSETIA-SDDRHHMPSA-N 2 1 277.437 2.191 20 0 CEADMP COc1ccc([C@H](CC(C)C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000647288895 395698040 /nfs/dbraw/zinc/69/80/40/395698040.db2.gz UHNNWZYPHPGSTF-WBVHZDCISA-N 2 1 294.439 2.295 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647542266 395730981 /nfs/dbraw/zinc/73/09/81/395730981.db2.gz BJERMMBWFMSOGB-BMFZPTHFSA-N 2 1 274.408 2.340 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542840 395731170 /nfs/dbraw/zinc/73/11/70/395731170.db2.gz CPGAJKZTPFOYCF-JKSUJKDBSA-N 2 1 290.455 2.249 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@H]1CCOC1 ZINC000647544008 395731649 /nfs/dbraw/zinc/73/16/49/395731649.db2.gz VKFNPQWVXDMASW-XHSDSOJGSA-N 2 1 266.429 2.125 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)c1cccnc1 ZINC000647549688 395733517 /nfs/dbraw/zinc/73/35/17/395733517.db2.gz NGOYBMJGDVRTNW-BPUTZDHNSA-N 2 1 261.413 2.409 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@H]3CC[C@@H](C[NH3+])C3)c2c1C ZINC000647709864 395747190 /nfs/dbraw/zinc/74/71/90/395747190.db2.gz WJTTXHPQKQVFMQ-MNOVXSKESA-N 2 1 259.357 2.114 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@H]3CCC[C@H]([NH3+])C3)c2c1C ZINC000647707346 395747520 /nfs/dbraw/zinc/74/75/20/395747520.db2.gz GSHHUJZLDZSHID-QWRGUYRKSA-N 2 1 259.357 2.257 20 0 CEADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1OC ZINC000647874364 395766845 /nfs/dbraw/zinc/76/68/45/395766845.db2.gz NKYBJSGLOKEHCI-ZFWWWQNUSA-N 2 1 290.407 2.450 20 0 CEADMP CCOC[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647890799 395769949 /nfs/dbraw/zinc/76/99/49/395769949.db2.gz WAOMOCCIFVMHAL-OAHLLOKOSA-N 2 1 254.418 2.125 20 0 CEADMP CC(C)OCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903284 395770649 /nfs/dbraw/zinc/77/06/49/395770649.db2.gz IPNLAGLGDZQIHN-LSDHHAIUSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)C(C)(C)C ZINC000648072062 395825815 /nfs/dbraw/zinc/82/58/15/395825815.db2.gz JVJCRPDTKKVCMH-AWEZNQCLSA-N 2 1 268.445 2.465 20 0 CEADMP Cc1sccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071934 395825966 /nfs/dbraw/zinc/82/59/66/395825966.db2.gz BGNARJYIJHDQAE-UHFFFAOYSA-N 2 1 280.437 2.353 20 0 CEADMP CCc1nc([C@@H]2CCCC[N@@H+]2CC2CC[NH2+]CC2)no1 ZINC000648404431 395902340 /nfs/dbraw/zinc/90/23/40/395902340.db2.gz SOHKYWUWFSXBFQ-ZDUSSCGKSA-N 2 1 278.400 2.159 20 0 CEADMP CCc1nc([C@@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)no1 ZINC000648404431 395902343 /nfs/dbraw/zinc/90/23/43/395902343.db2.gz SOHKYWUWFSXBFQ-ZDUSSCGKSA-N 2 1 278.400 2.159 20 0 CEADMP Cc1cccc(Cl)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000649253084 396103271 /nfs/dbraw/zinc/10/32/71/396103271.db2.gz DEJYLJJEMUZXSD-TXEJJXNPSA-N 2 1 250.773 2.300 20 0 CEADMP Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000649253084 396103272 /nfs/dbraw/zinc/10/32/72/396103272.db2.gz DEJYLJJEMUZXSD-TXEJJXNPSA-N 2 1 250.773 2.300 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCC(C)(C)[NH3+] ZINC000649294813 396114445 /nfs/dbraw/zinc/11/44/45/396114445.db2.gz FKTRHQFTNOBDEI-CQSZACIVSA-N 2 1 283.460 2.275 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649413936 396147490 /nfs/dbraw/zinc/14/74/90/396147490.db2.gz UOEJSYQOCULYBT-KRWDZBQOSA-N 3 1 281.488 2.430 20 0 CEADMP CCc1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000649418295 396149307 /nfs/dbraw/zinc/14/93/07/396149307.db2.gz YFOMANAFOLYPLY-ZIAGYGMSSA-N 2 1 277.412 2.449 20 0 CEADMP CCc1cnc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000649418293 396149478 /nfs/dbraw/zinc/14/94/78/396149478.db2.gz YFOMANAFOLYPLY-KGLIPLIRSA-N 2 1 277.412 2.449 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000649545469 396183820 /nfs/dbraw/zinc/18/38/20/396183820.db2.gz GWFPWIDBWOOFNK-JYJNAYRXSA-N 2 1 268.445 2.201 20 0 CEADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCCOC1 ZINC000649755317 396250000 /nfs/dbraw/zinc/25/00/00/396250000.db2.gz KRUAVNIJASCTQR-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCCOC1 ZINC000649755317 396250003 /nfs/dbraw/zinc/25/00/03/396250003.db2.gz KRUAVNIJASCTQR-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP Cc1ccccc1C1([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCC1 ZINC000649644891 396219862 /nfs/dbraw/zinc/21/98/62/396219862.db2.gz WPHBMIXIKQSDCW-INIZCTEOSA-N 2 1 288.435 2.419 20 0 CEADMP Cc1ccccc1C1([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCC1 ZINC000649644891 396219867 /nfs/dbraw/zinc/21/98/67/396219867.db2.gz WPHBMIXIKQSDCW-INIZCTEOSA-N 2 1 288.435 2.419 20 0 CEADMP CC(C)[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1(CO)CC=CC1 ZINC000646084290 396287905 /nfs/dbraw/zinc/28/79/05/396287905.db2.gz FBHBUPKODQSQOC-JKSUJKDBSA-N 2 1 280.456 2.414 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CC[C@@H]1CCC[NH+]1C)CCOCC2 ZINC000646098027 396292323 /nfs/dbraw/zinc/29/23/23/396292323.db2.gz DSMFEARNCXGMKF-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1CC2(C[NH+]1CC[C@@H]1CCC[N@@H+]1C)CCOCC2 ZINC000646098027 396292325 /nfs/dbraw/zinc/29/23/25/396292325.db2.gz DSMFEARNCXGMKF-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1CC2(C[NH+]1CC[C@@H]1CCC[N@H+]1C)CCOCC2 ZINC000646098027 396292327 /nfs/dbraw/zinc/29/23/27/396292327.db2.gz DSMFEARNCXGMKF-CABCVRRESA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CO1 ZINC000647171263 396427728 /nfs/dbraw/zinc/42/77/28/396427728.db2.gz DMRGPVNGBAHUDT-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CO1 ZINC000647170224 396427770 /nfs/dbraw/zinc/42/77/70/396427770.db2.gz QENYUTCRZUBUTJ-RHSMWYFYSA-N 2 1 274.408 2.202 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CO1 ZINC000647170224 396427773 /nfs/dbraw/zinc/42/77/73/396427773.db2.gz QENYUTCRZUBUTJ-RHSMWYFYSA-N 2 1 274.408 2.202 20 0 CEADMP COc1ncncc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000647171530 396428666 /nfs/dbraw/zinc/42/86/66/396428666.db2.gz MRUWEFJFLUIJKS-CQSZACIVSA-N 2 1 292.427 2.229 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916074 400122203 /nfs/dbraw/zinc/12/22/03/400122203.db2.gz XPDHDIOZFAJGAP-ZFWWWQNUSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916074 400122207 /nfs/dbraw/zinc/12/22/07/400122207.db2.gz XPDHDIOZFAJGAP-ZFWWWQNUSA-N 2 1 263.385 2.255 20 0 CEADMP CCN(CC)[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000104178681 400260496 /nfs/dbraw/zinc/26/04/96/400260496.db2.gz VKBLHRCTFBFDOB-MRXNPFEDSA-N 2 1 267.461 2.182 20 0 CEADMP CCN(CC)[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000104178681 400260500 /nfs/dbraw/zinc/26/05/00/400260500.db2.gz VKBLHRCTFBFDOB-MRXNPFEDSA-N 2 1 267.461 2.182 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC2([C@H](C)CCO)CCC2)[C@H](C)C1 ZINC000344307637 400366830 /nfs/dbraw/zinc/36/68/30/400366830.db2.gz XJUODAFEDWURLJ-OAGGEKHMSA-N 2 1 282.472 2.495 20 0 CEADMP COC1([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000414292897 292149631 /nfs/dbraw/zinc/14/96/31/292149631.db2.gz BAZWGBTZGJAGBF-MELADBBJSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCCO1 ZINC000386191438 400525159 /nfs/dbraw/zinc/52/51/59/400525159.db2.gz LBOGFQXXZQIFSP-OIYCOIKZSA-N 2 1 252.402 2.159 20 0 CEADMP FC1(F)CC[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000386262248 400525763 /nfs/dbraw/zinc/52/57/63/400525763.db2.gz VGTGWVGXTNRLLV-RWMBFGLXSA-N 2 1 258.356 2.353 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccnn2C(C)C)CC[C@@H]1[NH3+] ZINC000394659476 400551473 /nfs/dbraw/zinc/55/14/73/400551473.db2.gz ZLMUYSWDWHJODB-OCCSQVGLSA-N 2 1 250.390 2.023 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccnn2C(C)C)CC[C@@H]1[NH3+] ZINC000394659476 400551479 /nfs/dbraw/zinc/55/14/79/400551479.db2.gz ZLMUYSWDWHJODB-OCCSQVGLSA-N 2 1 250.390 2.023 20 0 CEADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2CCOCC2)cc1 ZINC000399607390 400564111 /nfs/dbraw/zinc/56/41/11/400564111.db2.gz FUOTXMDFDZAHGJ-BYICEURKSA-N 2 1 286.419 2.276 20 0 CEADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2CCOCC2)cc1 ZINC000399607390 400564114 /nfs/dbraw/zinc/56/41/14/400564114.db2.gz FUOTXMDFDZAHGJ-BYICEURKSA-N 2 1 286.419 2.276 20 0 CEADMP CC(C)[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000359849420 155151502 /nfs/dbraw/zinc/15/15/02/155151502.db2.gz CUHHCMOBEWSUQJ-OAGGEKHMSA-N 2 1 267.461 2.037 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccsc3)C2)C1 ZINC000650706193 400998816 /nfs/dbraw/zinc/99/88/16/400998816.db2.gz GHKOKYLSGVGSTH-KFWWJZLASA-N 2 1 280.437 2.466 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000650752646 401029420 /nfs/dbraw/zinc/02/94/20/401029420.db2.gz WPVJYWRWLPEKPQ-SIXLDLHFSA-N 2 1 289.423 2.422 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650759058 401036523 /nfs/dbraw/zinc/03/65/23/401036523.db2.gz CBSSXNWECSHKQV-UNEWFSDZSA-N 2 1 273.424 2.391 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292241745 286002996 /nfs/dbraw/zinc/00/29/96/286002996.db2.gz WVAMFTLCMIHHFZ-IAGOWNOFSA-N 2 1 274.408 2.402 20 0 CEADMP CO[C@H](C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292241745 286002998 /nfs/dbraw/zinc/00/29/98/286002998.db2.gz WVAMFTLCMIHHFZ-IAGOWNOFSA-N 2 1 274.408 2.402 20 0 CEADMP CO[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292241745 286003000 /nfs/dbraw/zinc/00/30/00/286003000.db2.gz WVAMFTLCMIHHFZ-IAGOWNOFSA-N 2 1 274.408 2.402 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C2CC[NH+](CC)CC2)cn1 ZINC000359964484 155180580 /nfs/dbraw/zinc/18/05/80/155180580.db2.gz UNYRVJVKYSVCIV-UHFFFAOYSA-N 2 1 276.428 2.112 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CC[NH+](C)CC1 ZINC000651492003 401349400 /nfs/dbraw/zinc/34/94/00/401349400.db2.gz LUNGOOYXDZDQCK-AWEZNQCLSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000360073338 155207063 /nfs/dbraw/zinc/20/70/63/155207063.db2.gz FXCXMMOBSWXKBN-NPCAHTBFSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)C1CCOCC1 ZINC000651865392 401405688 /nfs/dbraw/zinc/40/56/88/401405688.db2.gz WPWGXSIMYZHRKL-CQSZACIVSA-N 2 1 256.434 2.369 20 0 CEADMP OC[C@H](CCF)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000652024653 401436310 /nfs/dbraw/zinc/43/63/10/401436310.db2.gz IQOKQPCYDAPFMZ-KRWDZBQOSA-N 2 1 294.414 2.004 20 0 CEADMP CC[N@@H+](CCCNC(=O)N[C@H](C)[C@@H](C)[NH3+])C1CCCCC1 ZINC000652220665 401466053 /nfs/dbraw/zinc/46/60/53/401466053.db2.gz GNOJZAMONIKZPR-ZIAGYGMSSA-N 2 1 298.475 2.066 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000652222392 401467130 /nfs/dbraw/zinc/46/71/30/401467130.db2.gz NHNBYLMEMJETTK-INIZCTEOSA-N 2 1 280.460 2.475 20 0 CEADMP CC[N@@H+](Cc1cnn(C)c1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652338959 401489956 /nfs/dbraw/zinc/48/99/56/401489956.db2.gz QEURUWLLMOCFEZ-UHFFFAOYSA-N 2 1 284.407 2.088 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CCOC(C)(C)C)cc1 ZINC000652343712 401490564 /nfs/dbraw/zinc/49/05/64/401490564.db2.gz KCEPNTGMWMBFBI-HNNXBMFYSA-N 2 1 294.439 2.484 20 0 CEADMP COCCCCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348655 401491735 /nfs/dbraw/zinc/49/17/35/401491735.db2.gz MBOFXNVUMNWZEK-XHSDSOJGSA-N 2 1 284.444 2.021 20 0 CEADMP CCO[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000652356590 401492966 /nfs/dbraw/zinc/49/29/66/401492966.db2.gz VUJMLGVHYZBZRV-GDBMZVCRSA-N 2 1 280.387 2.054 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652360398 401494363 /nfs/dbraw/zinc/49/43/63/401494363.db2.gz GRMTZRGQOHUSMP-BMFZPTHFSA-N 2 1 293.411 2.152 20 0 CEADMP Cc1cccc2c1CC[C@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000360335050 155276021 /nfs/dbraw/zinc/27/60/21/155276021.db2.gz FVOHRDARIFKQBA-GOSISDBHSA-N 2 1 288.435 2.419 20 0 CEADMP C[NH+](C)[C@@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000365400817 289296719 /nfs/dbraw/zinc/29/67/19/289296719.db2.gz BHDNMIMUNRACAP-CVEARBPZSA-N 2 1 267.461 2.277 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1-n1ccnc1 ZINC000360581598 155328996 /nfs/dbraw/zinc/32/89/96/155328996.db2.gz OLFDHYBENVTTGC-GOEBONIOSA-N 2 1 284.407 2.302 20 0 CEADMP Cc1cccc2c(NCC[N@H+]3CCOC[C@H]3C)c(C)c[nH+]c12 ZINC000360699379 155355236 /nfs/dbraw/zinc/35/52/36/155355236.db2.gz YMWYJHZABAKLGD-OAHLLOKOSA-N 2 1 299.418 2.406 20 0 CEADMP Cc1cccc2c(NCC[N@@H+]3CCOC[C@H]3C)c(C)c[nH+]c12 ZINC000360699379 155355237 /nfs/dbraw/zinc/35/52/37/155355237.db2.gz YMWYJHZABAKLGD-OAHLLOKOSA-N 2 1 299.418 2.406 20 0 CEADMP C[N@H+]1C[C@@H]2CN(Cc3cncnc3)C[C@H]2[C@@H]1c1ccccc1 ZINC000360777814 155370030 /nfs/dbraw/zinc/37/00/30/155370030.db2.gz PSWYZPKGMRHBBM-KURKYZTESA-N 2 1 294.402 2.211 20 0 CEADMP COc1ccc(OC)c([C@H]2CCC[N@H+]2CCC[NH3+])c1 ZINC000414677317 286344285 /nfs/dbraw/zinc/34/42/85/286344285.db2.gz IWRGBYMUNVWILE-CQSZACIVSA-N 2 1 264.369 2.190 20 0 CEADMP CCN(C)C(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000189405559 153095564 /nfs/dbraw/zinc/09/55/64/153095564.db2.gz CVKQKKCSSYNPHH-AWEZNQCLSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1c[nH+]ccc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000192522763 153211759 /nfs/dbraw/zinc/21/17/59/153211759.db2.gz QSGOAEMUHSHLNC-OAHLLOKOSA-N 2 1 293.436 2.010 20 0 CEADMP C[N@@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C)Cc1ccccc1 ZINC000192720096 153213468 /nfs/dbraw/zinc/21/34/68/153213468.db2.gz VTEBJRSRLWXHEA-AYHJJNSGSA-N 2 1 287.451 2.333 20 0 CEADMP C[NH+](CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000192720096 153213472 /nfs/dbraw/zinc/21/34/72/153213472.db2.gz VTEBJRSRLWXHEA-AYHJJNSGSA-N 2 1 287.451 2.333 20 0 CEADMP C[NH+](CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000192720096 153213475 /nfs/dbraw/zinc/21/34/75/153213475.db2.gz VTEBJRSRLWXHEA-AYHJJNSGSA-N 2 1 287.451 2.333 20 0 CEADMP CN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000192720096 153213478 /nfs/dbraw/zinc/21/34/78/153213478.db2.gz VTEBJRSRLWXHEA-AYHJJNSGSA-N 2 1 287.451 2.333 20 0 CEADMP CN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000192720096 153213482 /nfs/dbraw/zinc/21/34/82/153213482.db2.gz VTEBJRSRLWXHEA-AYHJJNSGSA-N 2 1 287.451 2.333 20 0 CEADMP Cc1c[nH+]ccc1NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000192728686 153215233 /nfs/dbraw/zinc/21/52/33/153215233.db2.gz DYSKVEYNBFGDAC-IRXDYDNUSA-N 2 1 297.402 2.437 20 0 CEADMP COc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192680455 153215905 /nfs/dbraw/zinc/21/59/05/153215905.db2.gz WMTLIALOPYTSSN-MQVJKMGUSA-N 2 1 274.408 2.453 20 0 CEADMP Cc1cccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000193027329 153224992 /nfs/dbraw/zinc/22/49/92/153224992.db2.gz WCQKIPSYNIIOFY-NPYXIHBLSA-N 2 1 274.408 2.243 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193048842 153228555 /nfs/dbraw/zinc/22/85/55/153228555.db2.gz FRIOFWLUDOYVAM-JALIKCBVSA-N 2 1 268.445 2.244 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194025980 153245727 /nfs/dbraw/zinc/24/57/27/153245727.db2.gz KFUBVWQCGHWZGM-DRPJVOAASA-N 2 1 289.423 2.375 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnn(C(C)C)c1 ZINC000220326396 153306288 /nfs/dbraw/zinc/30/62/88/153306288.db2.gz JDFQYVNBWCFXGM-CQSZACIVSA-N 2 1 252.406 2.269 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnn(C(C)C)c1 ZINC000220326396 153306292 /nfs/dbraw/zinc/30/62/92/153306292.db2.gz JDFQYVNBWCFXGM-CQSZACIVSA-N 2 1 252.406 2.269 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCC2CC[NH2+]CC2)C[C@H]1C ZINC000262972051 154001554 /nfs/dbraw/zinc/00/15/54/154001554.db2.gz LWYJWZQGKYGILI-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2csc3ccccc23)CCCO1 ZINC000313355925 154209038 /nfs/dbraw/zinc/20/90/38/154209038.db2.gz NZOWGZATMQZCHU-CYBMUJFWSA-N 2 1 276.405 2.451 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2csc3ccccc23)CCCO1 ZINC000313355925 154209043 /nfs/dbraw/zinc/20/90/43/154209043.db2.gz NZOWGZATMQZCHU-CYBMUJFWSA-N 2 1 276.405 2.451 20 0 CEADMP COCC[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000346816460 154300384 /nfs/dbraw/zinc/30/03/84/154300384.db2.gz SZEANEAIMALIMH-SOUVJXGZSA-N 2 1 280.412 2.300 20 0 CEADMP COCC[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000346816460 154300389 /nfs/dbraw/zinc/30/03/89/154300389.db2.gz SZEANEAIMALIMH-SOUVJXGZSA-N 2 1 280.412 2.300 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000347084373 154300782 /nfs/dbraw/zinc/30/07/82/154300782.db2.gz BZJREUZDMGFEJM-CQSZACIVSA-N 2 1 272.396 2.074 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)nc3ccccn32)C1 ZINC000347084373 154300789 /nfs/dbraw/zinc/30/07/89/154300789.db2.gz BZJREUZDMGFEJM-CQSZACIVSA-N 2 1 272.396 2.074 20 0 CEADMP COCCCOc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000347086910 154300998 /nfs/dbraw/zinc/30/09/98/154300998.db2.gz CYOJRNOOTPSIFA-INIZCTEOSA-N 2 1 292.423 2.273 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C2Cc3ccccc3C2)s1 ZINC000352735008 154333023 /nfs/dbraw/zinc/33/30/23/154333023.db2.gz FRWBDUKWYZYEPJ-UHFFFAOYSA-N 2 1 287.432 2.462 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(C)CCC2)s1 ZINC000352771721 154333514 /nfs/dbraw/zinc/33/35/14/154333514.db2.gz PLPHUHNULRVLAV-UHFFFAOYSA-N 2 1 253.415 2.485 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@@H+]1C ZINC000352786688 154335937 /nfs/dbraw/zinc/33/59/37/154335937.db2.gz AIGJBDPJCDLSGJ-KBHBFKLGSA-N 2 1 254.418 2.405 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@H+]1C ZINC000352786688 154335941 /nfs/dbraw/zinc/33/59/41/154335941.db2.gz AIGJBDPJCDLSGJ-KBHBFKLGSA-N 2 1 254.418 2.405 20 0 CEADMP [NH3+]CCOCC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000357076483 154374109 /nfs/dbraw/zinc/37/41/09/154374109.db2.gz PAJNIKOIDNDYJL-UHFFFAOYSA-N 2 1 262.397 2.264 20 0 CEADMP c1ccc(CCOCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357083896 154375857 /nfs/dbraw/zinc/37/58/57/154375857.db2.gz IWDJBAFUXLTEPJ-QZTJIDSGSA-N 2 1 288.435 2.177 20 0 CEADMP c1ccc(CSCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357121934 154382652 /nfs/dbraw/zinc/38/26/52/154382652.db2.gz QFMCXGSUIMOXAU-HZPDHXFCSA-N 2 1 276.449 2.461 20 0 CEADMP c1ccc(CSCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357121934 154382656 /nfs/dbraw/zinc/38/26/56/154382656.db2.gz QFMCXGSUIMOXAU-HZPDHXFCSA-N 2 1 276.449 2.461 20 0 CEADMP CCN(C)c1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000359719683 155121215 /nfs/dbraw/zinc/12/12/15/155121215.db2.gz LWVGGGOCICSPKV-ZFWWWQNUSA-N 2 1 276.428 2.110 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000359719683 155121217 /nfs/dbraw/zinc/12/12/17/155121217.db2.gz LWVGGGOCICSPKV-ZFWWWQNUSA-N 2 1 276.428 2.110 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000359719683 155121220 /nfs/dbraw/zinc/12/12/20/155121220.db2.gz LWVGGGOCICSPKV-ZFWWWQNUSA-N 2 1 276.428 2.110 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000359719683 155121223 /nfs/dbraw/zinc/12/12/23/155121223.db2.gz LWVGGGOCICSPKV-ZFWWWQNUSA-N 2 1 276.428 2.110 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000367063780 156126170 /nfs/dbraw/zinc/12/61/70/156126170.db2.gz ZLLRWVTWGJCUNT-HNNXBMFYSA-N 2 1 263.385 2.084 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000367063780 156126173 /nfs/dbraw/zinc/12/61/73/156126173.db2.gz ZLLRWVTWGJCUNT-HNNXBMFYSA-N 2 1 263.385 2.084 20 0 CEADMP Cc1n[nH]cc1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367547809 156201885 /nfs/dbraw/zinc/20/18/85/156201885.db2.gz AOTJCUCREWWCHO-ARFHVFGLSA-N 2 1 276.428 2.113 20 0 CEADMP C[C@H]([NH2+]CC1(O)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374879435 157024639 /nfs/dbraw/zinc/02/46/39/157024639.db2.gz TXLSKAXSZUBIMZ-RDJZCZTQSA-N 2 1 288.435 2.402 20 0 CEADMP Cc1n[nH]cc1C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000375381397 157090439 /nfs/dbraw/zinc/09/04/39/157090439.db2.gz SFPUFDIUZWKLBX-UHFFFAOYSA-N 2 1 276.428 2.383 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](C3CC3)C2)CC1 ZINC000375601292 157113087 /nfs/dbraw/zinc/11/30/87/157113087.db2.gz XVCSENBTLASVDB-KRWDZBQOSA-N 2 1 279.472 2.134 20 0 CEADMP CC(C)OCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375761303 157141592 /nfs/dbraw/zinc/14/15/92/157141592.db2.gz HKDRKOZXRVVLEP-YIONKMFJSA-N 2 1 254.418 2.359 20 0 CEADMP Cc1ccnc([C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000375854201 157152158 /nfs/dbraw/zinc/15/21/58/157152158.db2.gz SHDRTHDRAUYQQQ-QWHCGFSZSA-N 2 1 256.353 2.252 20 0 CEADMP C[C@@H](O)CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547505441 298367847 /nfs/dbraw/zinc/36/78/47/298367847.db2.gz PIXFZKNVGHMFEN-HLLBOEOZSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1cnn(C)c1 ZINC000165270735 162345321 /nfs/dbraw/zinc/34/53/21/162345321.db2.gz VCTJNKPAUUHHSK-UKRRQHHQSA-N 2 1 264.417 2.193 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccnn1C ZINC000192246881 287024062 /nfs/dbraw/zinc/02/40/62/287024062.db2.gz ZKVJNGJOYFESKC-CQSZACIVSA-N 2 1 264.417 2.193 20 0 CEADMP CSCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000171632835 165051093 /nfs/dbraw/zinc/05/10/93/165051093.db2.gz WPGQIBQEEKAXHX-UHFFFAOYSA-N 2 1 253.415 2.038 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2OC)C1 ZINC000173907887 165086575 /nfs/dbraw/zinc/08/65/75/165086575.db2.gz VYEFGZQLRAOWSM-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2OC)C1 ZINC000173907887 165086578 /nfs/dbraw/zinc/08/65/78/165086578.db2.gz VYEFGZQLRAOWSM-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2OC)C1 ZINC000173907887 165086582 /nfs/dbraw/zinc/08/65/82/165086582.db2.gz VYEFGZQLRAOWSM-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2OC)C1 ZINC000173907887 165086585 /nfs/dbraw/zinc/08/65/85/165086585.db2.gz VYEFGZQLRAOWSM-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CCn1ccnc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000173930474 165092120 /nfs/dbraw/zinc/09/21/20/165092120.db2.gz WASQJMFSYYPFMH-CABCVRRESA-N 2 1 276.428 2.350 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000177211535 165190041 /nfs/dbraw/zinc/19/00/41/165190041.db2.gz MLTVVUAYEUQBRE-AWEZNQCLSA-N 2 1 280.412 2.314 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000178750260 165258128 /nfs/dbraw/zinc/25/81/28/165258128.db2.gz NKGBZWWCFVZBEW-UKRRQHHQSA-N 2 1 278.444 2.500 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000178750260 165258131 /nfs/dbraw/zinc/25/81/31/165258131.db2.gz NKGBZWWCFVZBEW-UKRRQHHQSA-N 2 1 278.444 2.500 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000179243201 165274668 /nfs/dbraw/zinc/27/46/68/165274668.db2.gz MJNFOSKOQFNJKB-ZDUSSCGKSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000179243201 165274670 /nfs/dbraw/zinc/27/46/70/165274670.db2.gz MJNFOSKOQFNJKB-ZDUSSCGKSA-N 2 1 251.374 2.083 20 0 CEADMP CC[N@H+](CCCCn1cc[nH+]c1C)C[C@@H]1CCCO1 ZINC000179247823 165275703 /nfs/dbraw/zinc/27/57/03/165275703.db2.gz KXHZAFRIBILKAJ-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP CC[N@@H+](CCCCn1cc[nH+]c1C)C[C@@H]1CCCO1 ZINC000179247823 165275707 /nfs/dbraw/zinc/27/57/07/165275707.db2.gz KXHZAFRIBILKAJ-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP Cc1ccc(C[NH+](CCO)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000181983172 165358698 /nfs/dbraw/zinc/35/86/98/165358698.db2.gz JMVUEGCIDZGCJK-KRWDZBQOSA-N 2 1 276.424 2.274 20 0 CEADMP Cc1ccc(C[NH+](CCO)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000181983172 165358699 /nfs/dbraw/zinc/35/86/99/165358699.db2.gz JMVUEGCIDZGCJK-KRWDZBQOSA-N 2 1 276.424 2.274 20 0 CEADMP Cc1ccc(C[N@@H+](CCO)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000181983172 165358702 /nfs/dbraw/zinc/35/87/02/165358702.db2.gz JMVUEGCIDZGCJK-KRWDZBQOSA-N 2 1 276.424 2.274 20 0 CEADMP Cc1ccc(C[N@H+](CCO)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000181983172 165358705 /nfs/dbraw/zinc/35/87/05/165358705.db2.gz JMVUEGCIDZGCJK-KRWDZBQOSA-N 2 1 276.424 2.274 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000337405890 292524151 /nfs/dbraw/zinc/52/41/51/292524151.db2.gz TYYMGNDGRVEQMZ-INIZCTEOSA-N 2 1 296.455 2.036 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c(OC)c1 ZINC000360708037 165554618 /nfs/dbraw/zinc/55/46/18/165554618.db2.gz PWWMQZWUCYKHFM-XJKSGUPXSA-N 2 1 292.423 2.176 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](CC)CN1C(C)=O ZINC000414714611 287183060 /nfs/dbraw/zinc/18/30/60/287183060.db2.gz XRILSNGDOCFCPV-MWQQHZPXSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284407336 196048569 /nfs/dbraw/zinc/04/85/69/196048569.db2.gz QECOHIAROUIILD-UHFFFAOYSA-N 2 1 287.411 2.459 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]C[C@@H](c2ccco2)N(C)C)CC1 ZINC000020122100 171001706 /nfs/dbraw/zinc/00/17/06/171001706.db2.gz YRRAXSVSNXHEOK-HNNXBMFYSA-N 2 1 279.428 2.345 20 0 CEADMP C[NH+]1CCC([NH2+]CCCOC2CCCCC2)CC1 ZINC000020191362 171057293 /nfs/dbraw/zinc/05/72/93/171057293.db2.gz DIPNLUNFECLIHS-UHFFFAOYSA-N 2 1 254.418 2.410 20 0 CEADMP CC[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515600 173246702 /nfs/dbraw/zinc/24/67/02/173246702.db2.gz BFGZFSKALSWLFC-INIZCTEOSA-N 2 1 276.424 2.054 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC000040622669 174355954 /nfs/dbraw/zinc/35/59/54/174355954.db2.gz VXVKHLWLHKOFFN-AWEZNQCLSA-N 2 1 258.409 2.474 20 0 CEADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)[C@H]1CCCCO1 ZINC000653875020 414768862 /nfs/dbraw/zinc/76/88/62/414768862.db2.gz NXDSVSPCZMPMJU-ZIAGYGMSSA-N 2 1 251.374 2.129 20 0 CEADMP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404270594 414778385 /nfs/dbraw/zinc/77/83/85/414778385.db2.gz KIJRKPZILSLZJJ-GJZGRUSLSA-N 2 1 283.460 2.084 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404270594 414778388 /nfs/dbraw/zinc/77/83/88/414778388.db2.gz KIJRKPZILSLZJJ-GJZGRUSLSA-N 2 1 283.460 2.084 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)[C@H]1CC[NH3+] ZINC000404271834 414779674 /nfs/dbraw/zinc/77/96/74/414779674.db2.gz LCVALVCIUPIKRO-ZFWWWQNUSA-N 2 1 290.407 2.407 20 0 CEADMP C[C@H]1CCC[N@H+](CC(=O)NC2CCCCCC2)[C@H]1CC[NH3+] ZINC000404340475 414781540 /nfs/dbraw/zinc/78/15/40/414781540.db2.gz DPPYUCKWAIFNDN-HOCLYGCPSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@H]1CCC[N@@H+](CC(=O)NC2CCCCCC2)[C@H]1CC[NH3+] ZINC000404340475 414781545 /nfs/dbraw/zinc/78/15/45/414781545.db2.gz DPPYUCKWAIFNDN-HOCLYGCPSA-N 2 1 295.471 2.275 20 0 CEADMP CC(C)[C@@H]1CN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[N@H+]1C ZINC000660409425 414807531 /nfs/dbraw/zinc/80/75/31/414807531.db2.gz WVJCDRAFZSUVQJ-ZACQAIPSSA-N 2 1 281.488 2.236 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCO1 ZINC000420917475 414807661 /nfs/dbraw/zinc/80/76/61/414807661.db2.gz RVOZRRUHOZTLKC-OWCLPIDISA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000660415156 414808912 /nfs/dbraw/zinc/80/89/12/414808912.db2.gz ALCWWSPWIQUJSC-IXDOHACOSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@@H](CNCc1cnc2n1CCC2)[N@H+]1CCCC[C@H]1C ZINC000657307515 414847240 /nfs/dbraw/zinc/84/72/40/414847240.db2.gz HLZFZXXIOVHFIJ-KGLIPLIRSA-N 2 1 276.428 2.182 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000663097072 414857874 /nfs/dbraw/zinc/85/78/74/414857874.db2.gz CNFWRULMYDHHHN-BETUJISGSA-N 2 1 295.471 2.285 20 0 CEADMP CCC[N@H+]1CC[C@H](CNCc2c(C3CC3)cnn2C)C1 ZINC000657326078 414859771 /nfs/dbraw/zinc/85/97/71/414859771.db2.gz SKJMXMIBDDISQC-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657326078 414859773 /nfs/dbraw/zinc/85/97/73/414859773.db2.gz SKJMXMIBDDISQC-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657326078 414859778 /nfs/dbraw/zinc/85/97/78/414859778.db2.gz SKJMXMIBDDISQC-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNCc2c(C3CC3)cnn2C)C1 ZINC000657326080 414860066 /nfs/dbraw/zinc/86/00/66/414860066.db2.gz SKJMXMIBDDISQC-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657326080 414860072 /nfs/dbraw/zinc/86/00/72/414860072.db2.gz SKJMXMIBDDISQC-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657326080 414860075 /nfs/dbraw/zinc/86/00/75/414860075.db2.gz SKJMXMIBDDISQC-ZDUSSCGKSA-N 2 1 276.428 2.119 20 0 CEADMP Cc1nc(CNCC[N@H+](C)Cc2ccc(F)cc2)[nH]c1C ZINC000657386437 414905890 /nfs/dbraw/zinc/90/58/90/414905890.db2.gz GGNRFIZTQSIWPL-UHFFFAOYSA-N 2 1 290.386 2.387 20 0 CEADMP COC(C)(C)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661662 414925667 /nfs/dbraw/zinc/92/56/67/414925667.db2.gz DUQFOTWRYCQZHB-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP COC(C)(C)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661662 414925669 /nfs/dbraw/zinc/92/56/69/414925669.db2.gz DUQFOTWRYCQZHB-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP COC(C)(C)CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661662 414925673 /nfs/dbraw/zinc/92/56/73/414925673.db2.gz DUQFOTWRYCQZHB-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000663371246 414931486 /nfs/dbraw/zinc/93/14/86/414931486.db2.gz ZRPYODFGJMGQQH-XJKSGUPXSA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CCCCC1 ZINC000663371246 414931490 /nfs/dbraw/zinc/93/14/90/414931490.db2.gz ZRPYODFGJMGQQH-XJKSGUPXSA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657343965 414871278 /nfs/dbraw/zinc/87/12/78/414871278.db2.gz YSSOWQCBQYHLQL-CQSZACIVSA-N 2 1 287.411 2.087 20 0 CEADMP CC[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CO1 ZINC000657366692 414889168 /nfs/dbraw/zinc/88/91/68/414889168.db2.gz JNZBRWHHARMKKR-XUWVNRHRSA-N 2 1 284.444 2.033 20 0 CEADMP CC1CCN(C(=[NH2+])NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663234744 414889586 /nfs/dbraw/zinc/88/95/86/414889586.db2.gz VYUVIVFLSCSURG-MRXNPFEDSA-N 2 1 292.471 2.365 20 0 CEADMP COc1cc(OC)c(C[NH2+]CC[C@@H]([NH3+])C(C)C)c(OC)c1 ZINC000663498619 414972441 /nfs/dbraw/zinc/97/24/41/414972441.db2.gz QOBYQZWUCLDRGK-CQSZACIVSA-N 2 1 296.411 2.175 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000653279914 414973365 /nfs/dbraw/zinc/97/33/65/414973365.db2.gz JQSGIJSCQSEFQE-VXGBXAGGSA-N 2 1 276.409 2.245 20 0 CEADMP CC[N@H+](CCOc1ccccc1OC)CC(C)(C)[NH3+] ZINC000663502449 414974379 /nfs/dbraw/zinc/97/43/79/414974379.db2.gz GLRSAQOQBVQVQE-UHFFFAOYSA-N 2 1 266.385 2.133 20 0 CEADMP CC[N@@H+](CCOc1ccccc1OC)CC(C)(C)[NH3+] ZINC000663502449 414974382 /nfs/dbraw/zinc/97/43/82/414974382.db2.gz GLRSAQOQBVQVQE-UHFFFAOYSA-N 2 1 266.385 2.133 20 0 CEADMP C[NH2+]C[C@@H](C)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000663509421 414977024 /nfs/dbraw/zinc/97/70/24/414977024.db2.gz XWYPOCPFFYMRHC-OAHLLOKOSA-N 2 1 277.456 2.342 20 0 CEADMP COC1CC(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000657529748 414987834 /nfs/dbraw/zinc/98/78/34/414987834.db2.gz ZHHBKMVJYLNONH-FUUBYGMNSA-N 2 1 252.402 2.018 20 0 CEADMP CC[NH+]1CCC(N2CCC[N@@H+](CC3CC=CC3)CC2)CC1 ZINC000660835666 414996651 /nfs/dbraw/zinc/99/66/51/414996651.db2.gz WZNKQVGSJMZMLH-UHFFFAOYSA-N 2 1 291.483 2.445 20 0 CEADMP Cc1cc(CO)cc(N(C)CC[C@H]2CCCC[N@@H+]2C)[nH+]1 ZINC000663666944 415009228 /nfs/dbraw/zinc/00/92/28/415009228.db2.gz BDYQTIREDLOIQG-OAHLLOKOSA-N 2 1 277.412 2.193 20 0 CEADMP Cc1cc(CO)cc(N(C)CC[C@H]2CCCC[N@H+]2C)[nH+]1 ZINC000663666944 415009233 /nfs/dbraw/zinc/00/92/33/415009233.db2.gz BDYQTIREDLOIQG-OAHLLOKOSA-N 2 1 277.412 2.193 20 0 CEADMP C[C@H]1c2cccn2CC[N@@H+]1CCCc1cncn1C ZINC000653484372 415010599 /nfs/dbraw/zinc/01/05/99/415010599.db2.gz DRDGTKVQCCMSCA-ZDUSSCGKSA-N 2 1 258.369 2.231 20 0 CEADMP Fc1cccc(F)c1CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000653502197 415016453 /nfs/dbraw/zinc/01/64/53/415016453.db2.gz ZROZNPKXENLGFD-TXEJJXNPSA-N 2 1 266.335 2.049 20 0 CEADMP Fc1cccc(F)c1CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000653502197 415016459 /nfs/dbraw/zinc/01/64/59/415016459.db2.gz ZROZNPKXENLGFD-TXEJJXNPSA-N 2 1 266.335 2.049 20 0 CEADMP C[C@@H]([NH2+]CCOCCF)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663462519 414960577 /nfs/dbraw/zinc/96/05/77/414960577.db2.gz PCIMMZFEHIADKV-WBVHZDCISA-N 2 1 294.414 2.473 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000660757635 414961085 /nfs/dbraw/zinc/96/10/85/414961085.db2.gz IHEPIVMHEXZJTG-QXSJWSMHSA-N 2 1 270.461 2.492 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467496 414962778 /nfs/dbraw/zinc/96/27/78/414962778.db2.gz GDTQYJLSEWGXLR-WFASDCNBSA-N 2 1 276.428 2.491 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467496 414962782 /nfs/dbraw/zinc/96/27/82/414962782.db2.gz GDTQYJLSEWGXLR-WFASDCNBSA-N 2 1 276.428 2.491 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000653605471 415050676 /nfs/dbraw/zinc/05/06/76/415050676.db2.gz YPZBPWKLGSJTLU-IRXDYDNUSA-N 2 1 276.424 2.430 20 0 CEADMP CC[C@H](c1cccc(OC)c1)[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000653675811 415071050 /nfs/dbraw/zinc/07/10/50/415071050.db2.gz SPNCQHQQYOOINA-DOTOQJQBSA-N 2 1 294.439 2.391 20 0 CEADMP CC[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000653675811 415071051 /nfs/dbraw/zinc/07/10/51/415071051.db2.gz SPNCQHQQYOOINA-DOTOQJQBSA-N 2 1 294.439 2.391 20 0 CEADMP CC[C@H](c1cccc(OC)c1)[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000653675811 415071056 /nfs/dbraw/zinc/07/10/56/415071056.db2.gz SPNCQHQQYOOINA-DOTOQJQBSA-N 2 1 294.439 2.391 20 0 CEADMP CC[C@H](c1cccc(OC)c1)[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000653675811 415071060 /nfs/dbraw/zinc/07/10/60/415071060.db2.gz SPNCQHQQYOOINA-DOTOQJQBSA-N 2 1 294.439 2.391 20 0 CEADMP Cn1cncc1CCC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000653555145 415031930 /nfs/dbraw/zinc/03/19/30/415031930.db2.gz METSPSHGLZSCHA-ZDUSSCGKSA-N 2 1 259.353 2.435 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000653555145 415031937 /nfs/dbraw/zinc/03/19/37/415031937.db2.gz METSPSHGLZSCHA-ZDUSSCGKSA-N 2 1 259.353 2.435 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000653555145 415031939 /nfs/dbraw/zinc/03/19/39/415031939.db2.gz METSPSHGLZSCHA-ZDUSSCGKSA-N 2 1 259.353 2.435 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657840061 415100948 /nfs/dbraw/zinc/10/09/48/415100948.db2.gz LLSLSEQFHJAFPG-ULQDDVLXSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCSCC2)CCCO1 ZINC000657992152 415146496 /nfs/dbraw/zinc/14/64/96/415146496.db2.gz CLEVIAVBPNJAKG-HUUCEWRRSA-N 2 1 286.485 2.363 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1CNc1ccnc2ccncc21 ZINC000664143308 415191590 /nfs/dbraw/zinc/19/15/90/415191590.db2.gz UKLIRGZLENMQKY-LBPRGKRZSA-N 2 1 270.380 2.336 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccn1 ZINC000658066874 415188681 /nfs/dbraw/zinc/18/86/81/415188681.db2.gz PYTGZXIQJKHBOG-CYBMUJFWSA-N 2 1 259.397 2.402 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](OCC)C2)[C@@H](C)C1 ZINC000658163966 415243429 /nfs/dbraw/zinc/24/34/29/415243429.db2.gz ULVMFXWIYMFQER-LUKYLMHMSA-N 2 1 298.471 2.281 20 0 CEADMP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)O1 ZINC000658216856 415258156 /nfs/dbraw/zinc/25/81/56/415258156.db2.gz VHBKECOHMYLZSM-QCODTGAPSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)c1nnc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000664197282 415221978 /nfs/dbraw/zinc/22/19/78/415221978.db2.gz UQKYBSSDCCPDHD-LBPRGKRZSA-N 2 1 299.488 2.345 20 0 CEADMP CC(C)c1nnc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000664197282 415221983 /nfs/dbraw/zinc/22/19/83/415221983.db2.gz UQKYBSSDCCPDHD-LBPRGKRZSA-N 2 1 299.488 2.345 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[C@@H]1C ZINC000658134471 415225477 /nfs/dbraw/zinc/22/54/77/415225477.db2.gz ABHKAYAQYBHNEW-DTDBQYNISA-N 2 1 288.435 2.387 20 0 CEADMP C[C@H]([NH2+]C/C=C\CO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658141366 415227572 /nfs/dbraw/zinc/22/75/72/415227572.db2.gz VDBAZRRKYIJHQR-RDTQODSXSA-N 2 1 274.408 2.035 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661496665 415291987 /nfs/dbraw/zinc/29/19/87/415291987.db2.gz ORRAHAHSVBDDGZ-OAGGEKHMSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661496665 415291993 /nfs/dbraw/zinc/29/19/93/415291993.db2.gz ORRAHAHSVBDDGZ-OAGGEKHMSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661496665 415291999 /nfs/dbraw/zinc/29/19/99/415291999.db2.gz ORRAHAHSVBDDGZ-OAGGEKHMSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccnc1 ZINC000655712572 415403209 /nfs/dbraw/zinc/40/32/09/415403209.db2.gz UTGPKRRRZYHOSE-YOEHRIQHSA-N 2 1 289.423 2.376 20 0 CEADMP CC(C)(CO)CCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655714757 415405912 /nfs/dbraw/zinc/40/59/12/415405912.db2.gz CKJNCAHTPJEYMK-INIZCTEOSA-N 2 1 298.471 2.018 20 0 CEADMP FC(F)(F)CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655722204 415411806 /nfs/dbraw/zinc/41/18/06/415411806.db2.gz ZHNPCZTYAQMOJL-LBPRGKRZSA-N 2 1 280.334 2.172 20 0 CEADMP CC(C)(C)C[C@@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655728489 415416442 /nfs/dbraw/zinc/41/64/42/415416442.db2.gz VLTMVGXVMGQDMP-HZPDHXFCSA-N 2 1 298.471 2.017 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](CCCc1cncn1C)C2 ZINC000661742379 415437418 /nfs/dbraw/zinc/43/74/18/415437418.db2.gz PJIGYPNTBGHRFA-UHFFFAOYSA-N 2 1 285.391 2.420 20 0 CEADMP CN(C)c1nc(NCC2CC[NH+](CC3CC3)CC2)cc[nH+]1 ZINC000664646725 415441351 /nfs/dbraw/zinc/44/13/51/415441351.db2.gz JZCCICQTKAYFJC-UHFFFAOYSA-N 2 1 289.427 2.077 20 0 CEADMP Cc1cc(CO)cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)[nH+]1 ZINC000664679632 415450151 /nfs/dbraw/zinc/45/01/51/415450151.db2.gz XVEZMNWCOHWTOP-HNNXBMFYSA-N 2 1 289.423 2.416 20 0 CEADMP Cc1cc(CO)cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[nH+]1 ZINC000664679632 415450160 /nfs/dbraw/zinc/45/01/60/415450160.db2.gz XVEZMNWCOHWTOP-HNNXBMFYSA-N 2 1 289.423 2.416 20 0 CEADMP CC(F)(F)CCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655771448 415451132 /nfs/dbraw/zinc/45/11/32/415451132.db2.gz LFWRGIYYJJRZAO-CYBMUJFWSA-N 2 1 276.371 2.265 20 0 CEADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000655776388 415455122 /nfs/dbraw/zinc/45/51/22/415455122.db2.gz IUDGCXLEKQMYBA-MXASKKJJSA-N 2 1 278.440 2.408 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000664719449 415462299 /nfs/dbraw/zinc/46/22/99/415462299.db2.gz SNOBDJQRKFWSLT-CABCVRRESA-N 2 1 297.487 2.249 20 0 CEADMP CC[NH+]1CCC(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655848151 415517224 /nfs/dbraw/zinc/51/72/24/415517224.db2.gz GCLDILVLXXLCMT-CVEARBPZSA-N 2 1 265.445 2.077 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)CC1CC[NH2+]CC1 ZINC000655934599 415555665 /nfs/dbraw/zinc/55/56/65/415555665.db2.gz USZFADOBURXFDF-UHFFFAOYSA-N 2 1 298.333 2.440 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3noc4ccccc43)C[C@H]21 ZINC000655938255 415558324 /nfs/dbraw/zinc/55/83/24/415558324.db2.gz QDFUOIIVUPIYGU-NWANDNLSSA-N 2 1 285.391 2.430 20 0 CEADMP CCC(C)(C)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000655947341 415558508 /nfs/dbraw/zinc/55/85/08/415558508.db2.gz RKMBFHLQZYSWJH-UHFFFAOYSA-N 2 1 267.461 2.182 20 0 CEADMP C[N@@H+](CCc1noc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000655938583 415560476 /nfs/dbraw/zinc/56/04/76/415560476.db2.gz YPWIDMCTHWAQKD-ZDUSSCGKSA-N 2 1 273.380 2.444 20 0 CEADMP CC(C)NC(=O)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000662114731 415631117 /nfs/dbraw/zinc/63/11/17/415631117.db2.gz ANKIYQRVXFTIHH-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](C)[C@H]1C[C@@H](CNc2cc[nH+]cc2Br)C1 ZINC000656211890 415643353 /nfs/dbraw/zinc/64/33/53/415643353.db2.gz QANWHMSPDUDMET-AOOOYVTPSA-N 2 1 284.201 2.018 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000665241233 415645394 /nfs/dbraw/zinc/64/53/94/415645394.db2.gz FVINMWLORLWHOE-ZSYWTGECSA-N 2 1 299.462 2.381 20 0 CEADMP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCCOCC2)c1 ZINC000665254390 415654138 /nfs/dbraw/zinc/65/41/38/415654138.db2.gz PFXHWOTXLYYTDM-IKGGRYGDSA-N 2 1 292.398 2.430 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000665297892 415684089 /nfs/dbraw/zinc/68/40/89/415684089.db2.gz NTTXLIQUXHVZAS-MNOVXSKESA-N 2 1 256.340 2.483 20 0 CEADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000665297276 415685931 /nfs/dbraw/zinc/68/59/31/415685931.db2.gz CGWJYUMNMBDWIO-VXGBXAGGSA-N 2 1 280.412 2.141 20 0 CEADMP CC[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000665299158 415686593 /nfs/dbraw/zinc/68/65/93/415686593.db2.gz HOWNWQAJZMKVMP-ZACQAIPSSA-N 3 1 279.472 2.229 20 0 CEADMP CCCN(Cc1[nH+]cc(C)c(OC)c1C)[C@@H]1CC[NH2+]C1 ZINC000071332058 176125021 /nfs/dbraw/zinc/12/50/21/176125021.db2.gz HTEWUCUIXCJXJQ-CQSZACIVSA-N 2 1 277.412 2.281 20 0 CEADMP Fc1cccc(C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)c1 ZINC000662250474 415716408 /nfs/dbraw/zinc/71/64/08/415716408.db2.gz IXEUQZHTSRZNBZ-MRXNPFEDSA-N 2 1 290.382 2.311 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c2c(c1)C[NH2+]CC2 ZINC000662258556 415729858 /nfs/dbraw/zinc/72/98/58/415729858.db2.gz JWOBOXHTQAVOBU-FUHWJXTLSA-N 2 1 286.419 2.333 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662266222 415732655 /nfs/dbraw/zinc/73/26/55/415732655.db2.gz KTYNMEZMLFHZSJ-PWSUYJOCSA-N 2 1 298.333 2.220 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c2c(c1)C[NH2+]CC2 ZINC000662265119 415732948 /nfs/dbraw/zinc/73/29/48/415732948.db2.gz NAIZLFMNLBBOHW-MJGOQNOKSA-N 3 1 299.462 2.296 20 0 CEADMP c1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c2c(c1)C[NH2+]CC2 ZINC000662265119 415732951 /nfs/dbraw/zinc/73/29/51/415732951.db2.gz NAIZLFMNLBBOHW-MJGOQNOKSA-N 2 1 299.462 2.296 20 0 CEADMP c1csc(C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)c1 ZINC000662250439 415712754 /nfs/dbraw/zinc/71/27/54/415712754.db2.gz HZAOYZDZKNYJPE-ZDUSSCGKSA-N 2 1 278.421 2.234 20 0 CEADMP Fc1ccccc1C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662248923 415712829 /nfs/dbraw/zinc/71/28/29/415712829.db2.gz LXMCHXGNLMGKCC-HNNXBMFYSA-N 2 1 290.382 2.311 20 0 CEADMP CCC1CCC([N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662250216 415713100 /nfs/dbraw/zinc/71/31/00/415713100.db2.gz AXWSFAQDCWBYFH-YMAMQOFZSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CCCC[C@@H]1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662277043 415744422 /nfs/dbraw/zinc/74/44/22/415744422.db2.gz QHNZDXVGPFPQJK-HZPDHXFCSA-N 2 1 279.472 2.182 20 0 CEADMP CCc1nnc([C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)[nH]1 ZINC000659854296 415735832 /nfs/dbraw/zinc/73/58/32/415735832.db2.gz ZDRZNZIGJHXLNN-GFCCVEGCSA-N 2 1 279.432 2.092 20 0 CEADMP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)CC(C)(C)[NH3+] ZINC000662296217 415760175 /nfs/dbraw/zinc/76/01/75/415760175.db2.gz YFZGEUKZIWUALO-UHFFFAOYSA-N 2 1 283.803 2.338 20 0 CEADMP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)CC(C)(C)[NH3+] ZINC000662296217 415760180 /nfs/dbraw/zinc/76/01/80/415760180.db2.gz YFZGEUKZIWUALO-UHFFFAOYSA-N 2 1 283.803 2.338 20 0 CEADMP FC(F)(F)COCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296467 415760212 /nfs/dbraw/zinc/76/02/12/415760212.db2.gz KQRBTGOWTJMIGZ-CYBMUJFWSA-N 2 1 294.361 2.277 20 0 CEADMP C[N@@H+](CCCC1CC[NH2+]CC1)CC1=CCCOC1 ZINC000662305228 415768366 /nfs/dbraw/zinc/76/83/66/415768366.db2.gz FECJFDKXEIPKKF-UHFFFAOYSA-N 2 1 252.402 2.045 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000662314490 415774206 /nfs/dbraw/zinc/77/42/06/415774206.db2.gz PUSRDCMRKGJLKR-KGLIPLIRSA-N 2 1 274.408 2.332 20 0 CEADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000662315780 415774522 /nfs/dbraw/zinc/77/45/22/415774522.db2.gz HGGSUYAQOFVXFT-DOTOQJQBSA-N 2 1 273.424 2.197 20 0 CEADMP CO[C@H](C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C1CCC1 ZINC000662284066 415753311 /nfs/dbraw/zinc/75/33/11/415753311.db2.gz SQWVRLYABDNXHW-UKRRQHHQSA-N 2 1 266.429 2.266 20 0 CEADMP COC[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OC ZINC000659880049 415757414 /nfs/dbraw/zinc/75/74/14/415757414.db2.gz ZYEVHQJMQCOGAD-IAGOWNOFSA-N 2 1 298.471 2.236 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H]1CC[NH3+] ZINC000662287139 415757403 /nfs/dbraw/zinc/75/74/03/415757403.db2.gz WTVMQHXEZOZUEM-KBXCAEBGSA-N 3 1 287.451 2.282 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](OC)C2CCC2)C1 ZINC000659989816 415832349 /nfs/dbraw/zinc/83/23/49/415832349.db2.gz UIXBLDUOAYLPCS-UKRRQHHQSA-N 2 1 254.418 2.075 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CCO1 ZINC000662323694 415781458 /nfs/dbraw/zinc/78/14/58/415781458.db2.gz PHUOKGSNHVZTRR-UONOGXRCSA-N 2 1 290.398 2.464 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000659931593 415792285 /nfs/dbraw/zinc/79/22/85/415792285.db2.gz RFLHNQUVKQRNRS-OAGGEKHMSA-N 2 1 280.456 2.201 20 0 CEADMP Cc1ccc(OCCN(C)C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000656693405 415814908 /nfs/dbraw/zinc/81/49/08/415814908.db2.gz GGSCZKIUTQDRFT-MRXNPFEDSA-N 2 1 294.439 2.007 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC000659976057 415818619 /nfs/dbraw/zinc/81/86/19/415818619.db2.gz PVOSRKJXRWPFBE-HOCLYGCPSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000656698787 415822505 /nfs/dbraw/zinc/82/25/05/415822505.db2.gz OGHBFNUWPCOHDZ-HOTGVXAUSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000656698787 415822509 /nfs/dbraw/zinc/82/25/09/415822509.db2.gz OGHBFNUWPCOHDZ-HOTGVXAUSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000656698787 415822514 /nfs/dbraw/zinc/82/25/14/415822514.db2.gz OGHBFNUWPCOHDZ-HOTGVXAUSA-N 2 1 270.461 2.446 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCO[C@@H]2CC2(F)F)C[C@@H]1C ZINC000659983675 415827330 /nfs/dbraw/zinc/82/73/30/415827330.db2.gz SHELUPMRGLLFTC-RWMBFGLXSA-N 2 1 276.371 2.215 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCO[C@@H]2CC2(F)F)C[C@@H]1C ZINC000659983675 415827334 /nfs/dbraw/zinc/82/73/34/415827334.db2.gz SHELUPMRGLLFTC-RWMBFGLXSA-N 2 1 276.371 2.215 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO[C@@H]2CC2(F)F)C[C@@H]1C ZINC000659983675 415827337 /nfs/dbraw/zinc/82/73/37/415827337.db2.gz SHELUPMRGLLFTC-RWMBFGLXSA-N 2 1 276.371 2.215 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCC(=O)NCC(C)C)C1 ZINC000659982602 415827454 /nfs/dbraw/zinc/82/74/54/415827454.db2.gz RUIFNHIWUGNROX-MRXNPFEDSA-N 2 1 297.487 2.203 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCC(=O)NCC(C)C)C1 ZINC000659982602 415827458 /nfs/dbraw/zinc/82/74/58/415827458.db2.gz RUIFNHIWUGNROX-MRXNPFEDSA-N 2 1 297.487 2.203 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCC(=O)NCC(C)C)C1 ZINC000659982602 415827461 /nfs/dbraw/zinc/82/74/61/415827461.db2.gz RUIFNHIWUGNROX-MRXNPFEDSA-N 2 1 297.487 2.203 20 0 CEADMP Cc1[nH+]ccn1CCCN(C)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660117959 415890886 /nfs/dbraw/zinc/89/08/86/415890886.db2.gz QKGYUGHLMDACLK-HZPDHXFCSA-N 2 1 292.471 2.491 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000662621487 415907819 /nfs/dbraw/zinc/90/78/19/415907819.db2.gz IAGOWUILJQEGHN-AWEZNQCLSA-N 2 1 295.471 2.275 20 0 CEADMP C[N@H+](Cc1ccc(-n2cccn2)cc1)CC(C)(C)[NH3+] ZINC000656782682 415857823 /nfs/dbraw/zinc/85/78/23/415857823.db2.gz IKNIHAUIJYKUGG-UHFFFAOYSA-N 2 1 258.369 2.041 20 0 CEADMP C[N@@H+](Cc1ccc(-n2cccn2)cc1)CC(C)(C)[NH3+] ZINC000656782682 415857827 /nfs/dbraw/zinc/85/78/27/415857827.db2.gz IKNIHAUIJYKUGG-UHFFFAOYSA-N 2 1 258.369 2.041 20 0 CEADMP c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000656785111 415859958 /nfs/dbraw/zinc/85/99/58/415859958.db2.gz IQXVOSPQXCHSMX-ZDUSSCGKSA-N 2 1 265.426 2.355 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)CC(C)(C)C1 ZINC000660247001 415938495 /nfs/dbraw/zinc/93/84/95/415938495.db2.gz BPYAYBLWLYIHSQ-UONOGXRCSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000660247001 415938499 /nfs/dbraw/zinc/93/84/99/415938499.db2.gz BPYAYBLWLYIHSQ-UONOGXRCSA-N 2 1 256.434 2.056 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000660247001 415938505 /nfs/dbraw/zinc/93/85/05/415938505.db2.gz BPYAYBLWLYIHSQ-UONOGXRCSA-N 2 1 256.434 2.056 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2c(s1)CCCC2 ZINC000666744102 419411283 /nfs/dbraw/zinc/41/12/83/419411283.db2.gz UZUJHEFUYVUAAT-QWRGUYRKSA-N 2 1 265.426 2.239 20 0 CEADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2c(s1)CCC2 ZINC000666743357 419411895 /nfs/dbraw/zinc/41/18/95/419411895.db2.gz BFKMHMNOKIMACZ-MNOVXSKESA-N 2 1 265.426 2.239 20 0 CEADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)cc1 ZINC000665936195 419482288 /nfs/dbraw/zinc/48/22/88/419482288.db2.gz SSKARBFWWOEHPF-ZDUSSCGKSA-N 2 1 298.390 2.215 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1nccc2ccccc21 ZINC000666879615 419456448 /nfs/dbraw/zinc/45/64/48/419456448.db2.gz GLCSYJKBFFRELP-IUODEOHRSA-N 2 1 255.365 2.322 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc2cncn2c1)C1CC[NH+](C)CC1 ZINC000666152634 419557102 /nfs/dbraw/zinc/55/71/02/419557102.db2.gz CJPWFXSYCGESAP-CYBMUJFWSA-N 2 1 272.396 2.154 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000666966073 419495360 /nfs/dbraw/zinc/49/53/60/419495360.db2.gz GYTGRWABTZMRQZ-IUODEOHRSA-N 2 1 260.381 2.283 20 0 CEADMP CC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667473581 419687251 /nfs/dbraw/zinc/68/72/51/419687251.db2.gz OCQKXHDIDLFFSN-UHFFFAOYSA-N 2 1 256.353 2.499 20 0 CEADMP Cc1ncc(CN2CC[NH+](Cc3cccs3)CC2)n1C ZINC000667484714 419694782 /nfs/dbraw/zinc/69/47/82/419694782.db2.gz WDSCDEZTLHTVBQ-UHFFFAOYSA-N 2 1 290.436 2.108 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000666705027 419780456 /nfs/dbraw/zinc/78/04/56/419780456.db2.gz BYZGGHQVNRZQDO-AWEZNQCLSA-N 2 1 254.418 2.252 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCOCC2(CCCC2)C1 ZINC000666705027 419780464 /nfs/dbraw/zinc/78/04/64/419780464.db2.gz BYZGGHQVNRZQDO-AWEZNQCLSA-N 2 1 254.418 2.252 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449101101 260218537 /nfs/dbraw/zinc/21/85/37/260218537.db2.gz UAWYEXDWAMAVEJ-QLFBSQMISA-N 2 1 297.487 2.247 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNCc2ccncc2F)C1 ZINC000449131426 260237457 /nfs/dbraw/zinc/23/74/57/260237457.db2.gz MOWUYGYKAHLUEY-CYBMUJFWSA-N 2 1 265.376 2.431 20 0 CEADMP CCc1cnc(C[NH2+]Cc2ccc(C[NH3+])cc2)s1 ZINC000234233261 260343937 /nfs/dbraw/zinc/34/39/37/260343937.db2.gz DFNQUVDZFRYZDR-UHFFFAOYSA-N 2 1 261.394 2.454 20 0 CEADMP Cc1cccc(CC[NH+]2CCC([N@@H+](C)C[C@@H](C)O)CC2)c1 ZINC000449029131 261111735 /nfs/dbraw/zinc/11/17/35/261111735.db2.gz QBCKAMVQQKAXAD-MRXNPFEDSA-N 2 1 290.451 2.315 20 0 CEADMP Cc1cccc(CC[NH+]2CCC([N@H+](C)C[C@@H](C)O)CC2)c1 ZINC000449029131 261111737 /nfs/dbraw/zinc/11/17/37/261111737.db2.gz QBCKAMVQQKAXAD-MRXNPFEDSA-N 2 1 290.451 2.315 20 0 CEADMP CCOC(=O)N(C)C1CC[NH+](CCC[NH+](CC)CC)CC1 ZINC000497181485 262072495 /nfs/dbraw/zinc/07/24/95/262072495.db2.gz UTBYLPYVRWQLFD-UHFFFAOYSA-N 2 1 299.459 2.271 20 0 CEADMP C[C@]1(C[NH2+]Cc2cnn(Cc3ccccc3)c2)CCC[NH2+]C1 ZINC000390322933 262178739 /nfs/dbraw/zinc/17/87/39/262178739.db2.gz IUIRRTFQWDDXPS-SFHVURJKSA-N 2 1 298.434 2.411 20 0 CEADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC000192724200 262209527 /nfs/dbraw/zinc/20/95/27/262209527.db2.gz IMOIEJAWSXMVIN-UHFFFAOYSA-N 2 1 255.450 2.133 20 0 CEADMP C[C@H]([NH2+]CCCc1nccs1)[C@@H]1CCCC[NH2+]1 ZINC000391172494 262384708 /nfs/dbraw/zinc/38/47/08/262384708.db2.gz LSNONXCQQCPEIT-RYUDHWBXSA-N 2 1 253.415 2.196 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](CCc2cscn2)CC1 ZINC000340289705 263105199 /nfs/dbraw/zinc/10/51/99/263105199.db2.gz PSEWUNKZCRUNHU-UHFFFAOYSA-N 2 1 290.436 2.374 20 0 CEADMP CO[C@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2C)C12CCC2 ZINC000453058744 263184166 /nfs/dbraw/zinc/18/41/66/263184166.db2.gz JWJFSLGRXOZOHV-KGLIPLIRSA-N 2 1 263.385 2.129 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000430568429 263296069 /nfs/dbraw/zinc/29/60/69/263296069.db2.gz CEPMXRWUUQDUSC-SWLSCSKDSA-N 2 1 275.396 2.204 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000430585289 263327594 /nfs/dbraw/zinc/32/75/94/263327594.db2.gz QIKJWONNKAOFSQ-XUWVNRHRSA-N 2 1 297.487 2.185 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000430585289 263327597 /nfs/dbraw/zinc/32/75/97/263327597.db2.gz QIKJWONNKAOFSQ-XUWVNRHRSA-N 2 1 297.487 2.185 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(N(C)C)n2C)CC(C)(C)C1 ZINC000425353954 264126457 /nfs/dbraw/zinc/12/64/57/264126457.db2.gz NPMKUTSFVZTLNA-LBPRGKRZSA-N 2 1 264.417 2.354 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425416744 264295540 /nfs/dbraw/zinc/29/55/40/264295540.db2.gz ITGZGHZXXANYKP-HUUCEWRRSA-N 2 1 295.471 2.192 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000519420630 265431044 /nfs/dbraw/zinc/43/10/44/265431044.db2.gz LGIDWESFIPSENL-OAHLLOKOSA-N 2 1 277.412 2.101 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000519420630 265431047 /nfs/dbraw/zinc/43/10/47/265431047.db2.gz LGIDWESFIPSENL-OAHLLOKOSA-N 2 1 277.412 2.101 20 0 CEADMP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(C[NH3+])CC1 ZINC000260498417 270330039 /nfs/dbraw/zinc/33/00/39/270330039.db2.gz LJVKDPXQZCPXHO-NSHDSACASA-N 2 1 295.814 2.338 20 0 CEADMP OC1(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000309801683 270333154 /nfs/dbraw/zinc/33/31/54/270333154.db2.gz JZISIUUTPZBYPX-QGZVFWFLSA-N 2 1 288.435 2.403 20 0 CEADMP CCOC(=O)C1CCC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000313737728 270333464 /nfs/dbraw/zinc/33/34/64/270333464.db2.gz NMMCJAKGOUSKOP-FHERZECASA-N 2 1 296.455 2.428 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000393262164 270341735 /nfs/dbraw/zinc/34/17/35/270341735.db2.gz LVMXNCPJJOREQA-IKGGRYGDSA-N 2 1 274.408 2.230 20 0 CEADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCCC2CCCCC2)C1 ZINC000395073546 270344470 /nfs/dbraw/zinc/34/44/70/270344470.db2.gz FFVOKEDKOWBJOG-MRXNPFEDSA-N 2 1 295.471 2.134 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1C[NH3+] ZINC000397236463 270352168 /nfs/dbraw/zinc/35/21/68/270352168.db2.gz BOPCLHUEEMJFPA-IPYPFGDCSA-N 2 1 290.407 2.263 20 0 CEADMP Cc1ncsc1CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397355860 270353024 /nfs/dbraw/zinc/35/30/24/270353024.db2.gz FAPCCAWHINHMPR-GVXVVHGQSA-N 2 1 267.442 2.299 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000420306819 270510719 /nfs/dbraw/zinc/51/07/19/270510719.db2.gz AWMQQBUYFVNVQT-UWVGGRQHSA-N 2 1 273.302 2.270 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000420306819 270510722 /nfs/dbraw/zinc/51/07/22/270510722.db2.gz AWMQQBUYFVNVQT-UWVGGRQHSA-N 2 1 273.302 2.270 20 0 CEADMP CCC[N@@H+](CCN1CC[NH2+]CC1)CC1CCCCC1 ZINC000420325057 270517857 /nfs/dbraw/zinc/51/78/57/270517857.db2.gz WBMNZQPNYNHANC-UHFFFAOYSA-N 2 1 267.461 2.184 20 0 CEADMP CC[C@H](c1ccccc1)[N@@H+](CC)CCN1CC[NH2+]CC1 ZINC000420323381 270518331 /nfs/dbraw/zinc/51/83/31/270518331.db2.gz TYXLIXIMDOZAPL-QGZVFWFLSA-N 2 1 275.440 2.365 20 0 CEADMP Cc1cccc2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cn21 ZINC000420337214 270521608 /nfs/dbraw/zinc/52/16/08/270521608.db2.gz MYJJLJJCOSAEKJ-GASCZTMLSA-N 2 1 284.407 2.074 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422772127 270761270 /nfs/dbraw/zinc/76/12/70/270761270.db2.gz YUFVFXXXOQPFQZ-BZNIZROVSA-N 2 1 275.371 2.437 20 0 CEADMP CC[C@H](NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422868942 270795334 /nfs/dbraw/zinc/79/53/34/270795334.db2.gz WGMYEZADYRUXJU-FZKCQIBNSA-N 2 1 267.461 2.370 20 0 CEADMP COCCCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000423001620 270817455 /nfs/dbraw/zinc/81/74/55/270817455.db2.gz IESQRYJUTLXMSP-HZPDHXFCSA-N 2 1 278.396 2.071 20 0 CEADMP COCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccco1 ZINC000423043368 270823287 /nfs/dbraw/zinc/82/32/87/270823287.db2.gz OROCNKVNWRURPW-PIGZVRMJSA-N 2 1 264.369 2.230 20 0 CEADMP C1[C@@H]([NH2+][C@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C12CCCC2 ZINC000423073264 270829428 /nfs/dbraw/zinc/82/94/28/270829428.db2.gz IIPOYMZTDWHAKA-BYNSBNAKSA-N 2 1 264.413 2.066 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423359523 270903930 /nfs/dbraw/zinc/90/39/30/270903930.db2.gz KTFQTITVKYMBAM-RBSFLKMASA-N 2 1 295.471 2.001 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423376181 270906591 /nfs/dbraw/zinc/90/65/91/270906591.db2.gz KUQANWPTBRXWEN-CFVMTHIKSA-N 2 1 260.381 2.110 20 0 CEADMP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000423443870 270912545 /nfs/dbraw/zinc/91/25/45/270912545.db2.gz KWAFYNUIOPUCIJ-WZRBSPASSA-N 2 1 266.385 2.480 20 0 CEADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423487413 270916624 /nfs/dbraw/zinc/91/66/24/270916624.db2.gz UHBCSBMMJKTIRC-USXIJHARSA-N 2 1 275.440 2.067 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000423521728 270921489 /nfs/dbraw/zinc/92/14/89/270921489.db2.gz REIUHHOPSRAXQL-IXDOHACOSA-N 2 1 287.451 2.062 20 0 CEADMP COCCc1nc(C)c([C@H](C)[NH2+]CCC[NH2+]C2CC2)s1 ZINC000423556836 270925120 /nfs/dbraw/zinc/92/51/20/270925120.db2.gz MTTFQCUICNIOMR-NSHDSACASA-N 2 1 297.468 2.433 20 0 CEADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[C@@H]3[NH3+])cc2)C1 ZINC000424128407 271021536 /nfs/dbraw/zinc/02/15/36/271021536.db2.gz FIHKBWCZEHAFGH-MAZHCROVSA-N 2 1 287.407 2.204 20 0 CEADMP CC[N@@H+](C)CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424153152 271025053 /nfs/dbraw/zinc/02/50/53/271025053.db2.gz JNOOWFMXMABQRQ-HNNXBMFYSA-N 2 1 283.460 2.132 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(C(=O)N(C)C)cc1 ZINC000424369319 271051527 /nfs/dbraw/zinc/05/15/27/271051527.db2.gz BKJLWJHFVIUQFB-APHBMKBZSA-N 2 1 289.423 2.309 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N(CC)CCC[NH+](C)C ZINC000425259759 271149069 /nfs/dbraw/zinc/14/90/69/271149069.db2.gz VVHPHVUPITUQHB-UHFFFAOYSA-N 2 1 279.384 2.036 20 0 CEADMP CC(C)c1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000426295108 271211082 /nfs/dbraw/zinc/21/10/82/271211082.db2.gz MNIYWRJEKUGULR-VXGBXAGGSA-N 2 1 282.457 2.276 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000429337548 271323817 /nfs/dbraw/zinc/32/38/17/271323817.db2.gz UUJLDVHANHAFBB-INIZCTEOSA-N 2 1 287.407 2.145 20 0 CEADMP C[C@@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)Cc1ccccc1 ZINC000430006268 271353034 /nfs/dbraw/zinc/35/30/34/271353034.db2.gz OVLQBXKGYXEDGE-MRXNPFEDSA-N 2 1 290.451 2.302 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)c2ccccc2)C1 ZINC000430591225 271396328 /nfs/dbraw/zinc/39/63/28/271396328.db2.gz NNMDHPHZQCXXDY-KKUMJFAQSA-N 2 1 289.423 2.097 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)c2ccccc2)C1 ZINC000430591225 271396331 /nfs/dbraw/zinc/39/63/31/271396331.db2.gz NNMDHPHZQCXXDY-KKUMJFAQSA-N 2 1 289.423 2.097 20 0 CEADMP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430587767 271396871 /nfs/dbraw/zinc/39/68/71/271396871.db2.gz AHMXLHBJBHEDEA-JSGCOSHPSA-N 2 1 284.407 2.497 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000430598132 271399085 /nfs/dbraw/zinc/39/90/85/271399085.db2.gz NVNXCNYTMZVXND-HOCLYGCPSA-N 2 1 295.471 2.132 20 0 CEADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000430677477 271403067 /nfs/dbraw/zinc/40/30/67/271403067.db2.gz QIONWEGXWATNRZ-XUWVNRHRSA-N 2 1 293.455 2.027 20 0 CEADMP COc1cccc2c1CC[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000261654093 274150972 /nfs/dbraw/zinc/15/09/72/274150972.db2.gz BFHXTUHBTRXRMG-UHFFFAOYSA-N 2 1 274.408 2.095 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414909646 274307237 /nfs/dbraw/zinc/30/72/37/274307237.db2.gz CBRIWYWMMIJPKG-KMUNFCNLSA-N 2 1 264.800 2.395 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000156173459 274334912 /nfs/dbraw/zinc/33/49/12/274334912.db2.gz QMSRZBFUIDDXRV-KGLIPLIRSA-N 2 1 286.423 2.425 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000361173333 274335890 /nfs/dbraw/zinc/33/58/90/274335890.db2.gz FXVZKHITELFQSO-HLLBOEOZSA-N 2 1 273.424 2.195 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000361173333 274335894 /nfs/dbraw/zinc/33/58/94/274335894.db2.gz FXVZKHITELFQSO-HLLBOEOZSA-N 2 1 273.424 2.195 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CC[C@@H]1[NH3+] ZINC000094338871 274354749 /nfs/dbraw/zinc/35/47/49/274354749.db2.gz NEAJYZPVJXCKHE-DOMZBBRYSA-N 2 1 255.365 2.404 20 0 CEADMP c1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CO2 ZINC000293617866 275070269 /nfs/dbraw/zinc/07/02/69/275070269.db2.gz GZEXXUOMJYQZTJ-OAHLLOKOSA-N 2 1 272.392 2.207 20 0 CEADMP C([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCSC1 ZINC000373911975 275395349 /nfs/dbraw/zinc/39/53/49/275395349.db2.gz OQYSNARDLSYZSE-QWHCGFSZSA-N 2 1 254.443 2.346 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCSC1 ZINC000373911975 275395350 /nfs/dbraw/zinc/39/53/50/275395350.db2.gz OQYSNARDLSYZSE-QWHCGFSZSA-N 2 1 254.443 2.346 20 0 CEADMP C([C@@H]1CCCOC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000342925774 275396876 /nfs/dbraw/zinc/39/68/76/275396876.db2.gz KFGFIEAPNNQNTQ-UXLLHSPISA-N 2 1 278.440 2.362 20 0 CEADMP C([C@@H]1CCCOC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000342925774 275396877 /nfs/dbraw/zinc/39/68/77/275396877.db2.gz KFGFIEAPNNQNTQ-UXLLHSPISA-N 2 1 278.440 2.362 20 0 CEADMP C([C@@H]1CCCOC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000342925774 275396878 /nfs/dbraw/zinc/39/68/78/275396878.db2.gz KFGFIEAPNNQNTQ-UXLLHSPISA-N 2 1 278.440 2.362 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(CC)CC ZINC000277122796 276059136 /nfs/dbraw/zinc/05/91/36/276059136.db2.gz HZUSDXQVXSUEQQ-UHFFFAOYSA-N 2 1 294.443 2.026 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(CC)CC ZINC000277122796 276059138 /nfs/dbraw/zinc/05/91/38/276059138.db2.gz HZUSDXQVXSUEQQ-UHFFFAOYSA-N 2 1 294.443 2.026 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2(OC)CCCC2)C1 ZINC000361572450 276072752 /nfs/dbraw/zinc/07/27/52/276072752.db2.gz SRPKBLVPNZXWQN-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2(OC)CCCC2)C1 ZINC000361572450 276072753 /nfs/dbraw/zinc/07/27/53/276072753.db2.gz SRPKBLVPNZXWQN-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2(OC)CCCC2)C1 ZINC000361572450 276072754 /nfs/dbraw/zinc/07/27/54/276072754.db2.gz SRPKBLVPNZXWQN-AWEZNQCLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246855060 276148722 /nfs/dbraw/zinc/14/87/22/276148722.db2.gz CFUTYXYGMZVVAQ-GOEBONIOSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000246855060 276148724 /nfs/dbraw/zinc/14/87/24/276148724.db2.gz CFUTYXYGMZVVAQ-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2COc3ccc(F)cc3C2)CC1 ZINC000335144487 276152186 /nfs/dbraw/zinc/15/21/86/276152186.db2.gz HUXKDLNQBOUIBW-OAHLLOKOSA-N 2 1 278.371 2.203 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(OC)CC2)[C@@H](C)C1 ZINC000346424511 276227953 /nfs/dbraw/zinc/22/79/53/276227953.db2.gz LBKPEPDFZLPVDT-PPWQZUPISA-N 2 1 254.418 2.264 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000418204567 276231894 /nfs/dbraw/zinc/23/18/94/276231894.db2.gz XRZLRKUHUXZUJH-KKUMJFAQSA-N 2 1 298.475 2.018 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCCCCC1 ZINC000354319575 276260892 /nfs/dbraw/zinc/26/08/92/276260892.db2.gz PZFZQVQCZCVGPH-INIZCTEOSA-N 2 1 295.471 2.243 20 0 CEADMP CCCNC(=O)C[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000348412960 276264743 /nfs/dbraw/zinc/26/47/43/276264743.db2.gz ZZLGIHXKGDTMNL-GJZGRUSLSA-N 2 1 283.460 2.003 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)CCOCC2)[C@H](C)C1 ZINC000358232343 276395878 /nfs/dbraw/zinc/39/58/78/276395878.db2.gz BRRFXABIADDKCU-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH2+]CCCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000237135408 277021666 /nfs/dbraw/zinc/02/16/66/277021666.db2.gz KPXOUJZNCUMKFB-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@]2(CCOC2)C1 ZINC000334822203 277044115 /nfs/dbraw/zinc/04/41/15/277044115.db2.gz VMVNNGCYMGTOPP-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000334822203 277044117 /nfs/dbraw/zinc/04/41/17/277044117.db2.gz VMVNNGCYMGTOPP-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000334822203 277044119 /nfs/dbraw/zinc/04/41/19/277044119.db2.gz VMVNNGCYMGTOPP-CVEARBPZSA-N 2 1 266.429 2.363 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC(C)(C)CC(C)(C)C2)C1 ZINC000358130552 277158826 /nfs/dbraw/zinc/15/88/26/277158826.db2.gz FOTRAZYWACWNJE-MRXNPFEDSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC(C)(C)CC(C)(C)C2)C1 ZINC000358130552 277158828 /nfs/dbraw/zinc/15/88/28/277158828.db2.gz FOTRAZYWACWNJE-MRXNPFEDSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](CCN3CCCc4ccccc43)C2)C1 ZINC000366533629 277160362 /nfs/dbraw/zinc/16/03/62/277160362.db2.gz IEOPRMANZMVBGN-LJQANCHMSA-N 2 1 299.462 2.467 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](CCN3CCCc4ccccc43)C2)C1 ZINC000366533629 277160363 /nfs/dbraw/zinc/16/03/63/277160363.db2.gz IEOPRMANZMVBGN-LJQANCHMSA-N 2 1 299.462 2.467 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCN3CCCc4ccccc43)C2)C1 ZINC000366533629 277160364 /nfs/dbraw/zinc/16/03/64/277160364.db2.gz IEOPRMANZMVBGN-LJQANCHMSA-N 2 1 299.462 2.467 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCS2)[C@@H]2CCC[C@@H]21 ZINC000353395983 277171537 /nfs/dbraw/zinc/17/15/37/277171537.db2.gz SFSYEDGQOJXVGD-XUXIUFHCSA-N 2 1 254.443 2.344 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)[C@H]2CCC[C@H]21 ZINC000353505807 277173502 /nfs/dbraw/zinc/17/35/02/277173502.db2.gz WFHVLEXVEXSCLE-MDMSPXHWSA-N 2 1 286.419 2.107 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C12CCC2 ZINC000414171527 277312494 /nfs/dbraw/zinc/31/24/94/277312494.db2.gz CZFGWXLQPIVYSC-DGXTUMSLSA-N 2 1 278.440 2.406 20 0 CEADMP COC(=O)[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC12CCC2 ZINC000373148927 277363326 /nfs/dbraw/zinc/36/33/26/277363326.db2.gz BGASLRZIYAVILP-GJZGRUSLSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC12CCC2 ZINC000373148927 277363327 /nfs/dbraw/zinc/36/33/27/277363327.db2.gz BGASLRZIYAVILP-GJZGRUSLSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CC12CCC2 ZINC000373148927 277363328 /nfs/dbraw/zinc/36/33/28/277363328.db2.gz BGASLRZIYAVILP-GJZGRUSLSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@]12C[N@@H+](CC[C@@H]3CCC[NH+]3C)C[C@H]1CCCC2 ZINC000342184309 277379028 /nfs/dbraw/zinc/37/90/28/277379028.db2.gz ZGTDBDPSFBVONN-VYDXJSESSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@]12C[NH+](CC[C@@H]3CCC[N@@H+]3C)C[C@H]1CCCC2 ZINC000342184309 277379030 /nfs/dbraw/zinc/37/90/30/277379030.db2.gz ZGTDBDPSFBVONN-VYDXJSESSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@]12C[NH+](CC[C@@H]3CCC[N@H+]3C)C[C@H]1CCCC2 ZINC000342184309 277379032 /nfs/dbraw/zinc/37/90/32/277379032.db2.gz ZGTDBDPSFBVONN-VYDXJSESSA-N 2 1 294.439 2.136 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000353621293 277392050 /nfs/dbraw/zinc/39/20/50/277392050.db2.gz LRMCYDUCRHOQGN-FHERZECASA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)CCO1 ZINC000415068236 277822645 /nfs/dbraw/zinc/82/26/45/277822645.db2.gz QVIHJKRHBIRWTC-ILXRZTDVSA-N 2 1 254.418 2.297 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252152420 278216816 /nfs/dbraw/zinc/21/68/16/278216816.db2.gz OTLYYZBWYAOGGK-WCVJEAGWSA-N 2 1 267.461 2.370 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000252152420 278216818 /nfs/dbraw/zinc/21/68/18/278216818.db2.gz OTLYYZBWYAOGGK-WCVJEAGWSA-N 2 1 267.461 2.370 20 0 CEADMP C[C@@H](CC1CCOCC1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415062263 278226570 /nfs/dbraw/zinc/22/65/70/278226570.db2.gz FCEFIHKEOKDMJL-SWLSCSKDSA-N 2 1 254.418 2.299 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCOC1 ZINC000158650657 278258466 /nfs/dbraw/zinc/25/84/66/278258466.db2.gz ROYPYCOTURTYEY-XUWVNRHRSA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)C[NH+]1CCCCC1 ZINC000367625489 278285249 /nfs/dbraw/zinc/28/52/49/278285249.db2.gz YIYUDNCRYDNMML-DZGCQCFKSA-N 2 1 276.428 2.499 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000165112434 278331574 /nfs/dbraw/zinc/33/15/74/278331574.db2.gz FOSQBEHXHDQQRW-UONOGXRCSA-N 2 1 283.460 2.131 20 0 CEADMP C[C@H]1CC[C@@H](C[NH+]2CCC3(CCC[N@@H+]3C)CC2)O1 ZINC000335866200 278377405 /nfs/dbraw/zinc/37/74/05/278377405.db2.gz SFCQZIDJIJABEM-KBPBESRZSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@H]1CC[C@@H](C[NH+]2CCC3(CCC[N@H+]3C)CC2)O1 ZINC000335866200 278377406 /nfs/dbraw/zinc/37/74/06/278377406.db2.gz SFCQZIDJIJABEM-KBPBESRZSA-N 2 1 252.402 2.114 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCCC[NH+]1CCCC[C@@H]1C ZINC000359413280 288079129 /nfs/dbraw/zinc/07/91/29/288079129.db2.gz UHGKJMCWHDICEW-OWCLPIDISA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000359413280 288079131 /nfs/dbraw/zinc/07/91/31/288079131.db2.gz UHGKJMCWHDICEW-OWCLPIDISA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NCCC[N@H+]1CCCC[C@@H]1C ZINC000359413280 288079133 /nfs/dbraw/zinc/07/91/33/288079133.db2.gz UHGKJMCWHDICEW-OWCLPIDISA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357836000 288105704 /nfs/dbraw/zinc/10/57/04/288105704.db2.gz RBJFXCKVEGUYRV-BZUAXINKSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357836000 288105706 /nfs/dbraw/zinc/10/57/06/288105706.db2.gz RBJFXCKVEGUYRV-BZUAXINKSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357836000 288105707 /nfs/dbraw/zinc/10/57/07/288105707.db2.gz RBJFXCKVEGUYRV-BZUAXINKSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000349964923 279252654 /nfs/dbraw/zinc/25/26/54/279252654.db2.gz FATBYFZCDIFUKC-BMFZPTHFSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000349964923 279252657 /nfs/dbraw/zinc/25/26/57/279252657.db2.gz FATBYFZCDIFUKC-BMFZPTHFSA-N 2 1 266.429 2.123 20 0 CEADMP CCN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000093490873 279262184 /nfs/dbraw/zinc/26/21/84/279262184.db2.gz QYYLCCWPZOESCD-IXDOHACOSA-N 2 1 279.472 2.371 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000093490873 279262185 /nfs/dbraw/zinc/26/21/85/279262185.db2.gz QYYLCCWPZOESCD-IXDOHACOSA-N 3 1 279.472 2.371 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400471814 279284357 /nfs/dbraw/zinc/28/43/57/279284357.db2.gz YFHUSAJFJOSVCU-HLLBOEOZSA-N 2 1 275.440 2.237 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000333236638 279367968 /nfs/dbraw/zinc/36/79/68/279367968.db2.gz DCRUJYCKHJAJGS-HZSPNIEDSA-N 2 1 276.428 2.167 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416007641 279381953 /nfs/dbraw/zinc/38/19/53/279381953.db2.gz LEPJSSFKTAVAHB-LBPRGKRZSA-N 2 1 290.411 2.140 20 0 CEADMP Cn1ncc(Cl)c1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000130377257 279935439 /nfs/dbraw/zinc/93/54/39/279935439.db2.gz GTMGMAHBPLHBRJ-UHFFFAOYSA-N 2 1 292.814 2.425 20 0 CEADMP CN(C(=O)CC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000134984651 280034057 /nfs/dbraw/zinc/03/40/57/280034057.db2.gz IPJFVANIDSHATM-UHFFFAOYSA-N 2 1 289.423 2.066 20 0 CEADMP CC(C)[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C)[NH+]1CCCCC1 ZINC000356909711 280150671 /nfs/dbraw/zinc/15/06/71/280150671.db2.gz VWFIKSHPRLYPGC-ARFHVFGLSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C)[NH+]1CCCCC1 ZINC000356909711 280150672 /nfs/dbraw/zinc/15/06/72/280150672.db2.gz VWFIKSHPRLYPGC-ARFHVFGLSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCS[C@@H](C)CC2)CC1 ZINC000192848811 280183986 /nfs/dbraw/zinc/18/39/86/280183986.db2.gz NNRMZTLYMWLINI-INIZCTEOSA-N 2 1 299.528 2.230 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246527504 280298980 /nfs/dbraw/zinc/29/89/80/280298980.db2.gz JEMWPXGKKZSOKN-KBPBESRZSA-N 2 1 284.444 2.380 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246527504 280298982 /nfs/dbraw/zinc/29/89/82/280298982.db2.gz JEMWPXGKKZSOKN-KBPBESRZSA-N 2 1 284.444 2.380 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246527504 280298984 /nfs/dbraw/zinc/29/89/84/280298984.db2.gz JEMWPXGKKZSOKN-KBPBESRZSA-N 2 1 284.444 2.380 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC[NH+]1CCCC[C@H]1C ZINC000247160465 280321834 /nfs/dbraw/zinc/32/18/34/280321834.db2.gz UCQMKEYLSBHVPR-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCC[N@@H+]1CCCC[C@H]1C ZINC000247160465 280321835 /nfs/dbraw/zinc/32/18/35/280321835.db2.gz UCQMKEYLSBHVPR-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCC[N@H+]1CCCC[C@H]1C ZINC000247160465 280321836 /nfs/dbraw/zinc/32/18/36/280321836.db2.gz UCQMKEYLSBHVPR-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCN1CCCC[C@H]1C ZINC000247160465 280321837 /nfs/dbraw/zinc/32/18/37/280321837.db2.gz UCQMKEYLSBHVPR-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCN1CCCC[C@H]1C ZINC000247160465 280321840 /nfs/dbraw/zinc/32/18/40/280321840.db2.gz UCQMKEYLSBHVPR-KLHDSHLOSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247197581 280322606 /nfs/dbraw/zinc/32/26/06/280322606.db2.gz WYJNNHZBKFGCGG-DGADGQDISA-N 2 1 295.471 2.237 20 0 CEADMP CC[NH+]1CCCC[C@H]1CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247932415 280340953 /nfs/dbraw/zinc/34/09/53/280340953.db2.gz CENFKTOZLNGXTR-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+]2CC)[C@@H](C)C1 ZINC000247932415 280340955 /nfs/dbraw/zinc/34/09/55/280340955.db2.gz CENFKTOZLNGXTR-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+]2CC)[C@@H](C)C1 ZINC000247932415 280340957 /nfs/dbraw/zinc/34/09/57/280340957.db2.gz CENFKTOZLNGXTR-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CCN1CCCC[C@H]1C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247932415 280340959 /nfs/dbraw/zinc/34/09/59/280340959.db2.gz CENFKTOZLNGXTR-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CCN1CCCC[C@H]1C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247932415 280340962 /nfs/dbraw/zinc/34/09/62/280340962.db2.gz CENFKTOZLNGXTR-JYJNAYRXSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCN2CCCCCC2=O)[C@@H](C)C1 ZINC000247968237 280341255 /nfs/dbraw/zinc/34/12/55/280341255.db2.gz IQKDGGBHADVMRA-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)nc2)[C@@H](C)C1 ZINC000247981220 280341662 /nfs/dbraw/zinc/34/16/62/280341662.db2.gz IIKHIHNBJXFICO-BBRMVZONSA-N 2 1 261.413 2.252 20 0 CEADMP CN(C)c1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422852417 280936193 /nfs/dbraw/zinc/93/61/93/280936193.db2.gz AMPRLXJGXJNNKE-BZUAXINKSA-N 2 1 288.439 2.158 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422926828 280968399 /nfs/dbraw/zinc/96/83/99/280968399.db2.gz XPPMTOGEDVRPKU-GUTXKFCHSA-N 2 1 292.423 2.365 20 0 CEADMP C[C@H]([NH2+]C[C@H]1Cc2ccccc2N(C)C1)[C@H]1CCCC[NH2+]1 ZINC000423061297 281015504 /nfs/dbraw/zinc/01/55/04/281015504.db2.gz QLZZXEBRFIYGCT-ZMSDIMECSA-N 2 1 287.451 2.415 20 0 CEADMP COc1ccc(F)cc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423062595 281017236 /nfs/dbraw/zinc/01/72/36/281017236.db2.gz NHXFBVGUPBBOPL-BXUZGUMPSA-N 2 1 266.360 2.312 20 0 CEADMP C[C@@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)[N@H+]1CCCC[C@H]1C ZINC000423329627 281023030 /nfs/dbraw/zinc/02/30/30/281023030.db2.gz MYRNPVCYGBKJBY-QLFBSQMISA-N 2 1 295.471 2.144 20 0 CEADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)C[NH3+])cc1OC ZINC000423330572 281023716 /nfs/dbraw/zinc/02/37/16/281023716.db2.gz PKXUQEMYPCSVOQ-UTUOFQBUSA-N 2 1 266.385 2.133 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc(OC)c1OC ZINC000423331837 281025014 /nfs/dbraw/zinc/02/50/14/281025014.db2.gz UXBKALZHAOXYAS-ZWNOBZJWSA-N 2 1 294.395 2.100 20 0 CEADMP C[NH2+][C@H](C)C[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000423402424 281028763 /nfs/dbraw/zinc/02/87/63/281028763.db2.gz WWQPHLDPFCLELP-WDEREUQCSA-N 2 1 256.340 2.483 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C[C@H]1OC ZINC000423403547 281029378 /nfs/dbraw/zinc/02/93/78/281029378.db2.gz YKCBOMSFWJADFD-AAVRWANBSA-N 2 1 254.418 2.310 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C[C@H]1OC ZINC000423403549 281029456 /nfs/dbraw/zinc/02/94/56/281029456.db2.gz YKCBOMSFWJADFD-REWJHTLYSA-N 2 1 254.418 2.310 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423435616 281041329 /nfs/dbraw/zinc/04/13/29/281041329.db2.gz LFZPLBSGVDOLDW-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP COc1cc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1SC ZINC000423440606 281043511 /nfs/dbraw/zinc/04/35/11/281043511.db2.gz UAUOFMDWLCTLKO-NYMYIZQJSA-N 2 1 278.421 2.286 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000423518443 281061127 /nfs/dbraw/zinc/06/11/27/281061127.db2.gz OSBANBKWUODVJV-GDBMZVCRSA-N 2 1 293.480 2.473 20 0 CEADMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[C@H](C)[NH3+] ZINC000423729107 281084688 /nfs/dbraw/zinc/08/46/88/281084688.db2.gz NRJYIDQABMKNNV-GOEBONIOSA-N 2 1 297.487 2.329 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000424264436 281140803 /nfs/dbraw/zinc/14/08/03/281140803.db2.gz IKLQXTXUDJDITA-HESLUPGFSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000424264436 281140806 /nfs/dbraw/zinc/14/08/06/281140806.db2.gz IKLQXTXUDJDITA-HESLUPGFSA-N 2 1 282.428 2.038 20 0 CEADMP CC[N@H+](Cc1cnn(C)c1)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424277189 281142538 /nfs/dbraw/zinc/14/25/38/281142538.db2.gz BQLPZIYDEBPZIF-OAHLLOKOSA-N 2 1 290.386 2.124 20 0 CEADMP Cc1ccc2nc(C[NH2+]C3CCC([NH3+])CC3)[nH]c2c1 ZINC000334842031 281155765 /nfs/dbraw/zinc/15/57/65/281155765.db2.gz JDMPVAOSOWNSFT-UHFFFAOYSA-N 2 1 258.369 2.231 20 0 CEADMP COC1(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCCC1 ZINC000432355187 281324386 /nfs/dbraw/zinc/32/43/86/281324386.db2.gz CZIQFWGNBFORKC-OAHLLOKOSA-N 2 1 284.444 2.036 20 0 CEADMP CC(C)[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000432859799 281350714 /nfs/dbraw/zinc/35/07/14/281350714.db2.gz PIHADUUDSZKBIJ-OFQRWUPVSA-N 2 1 268.445 2.246 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433056143 281363430 /nfs/dbraw/zinc/36/34/30/281363430.db2.gz GNYOQGLWHDXIAD-ILXRZTDVSA-N 2 1 280.456 2.248 20 0 CEADMP Cc1ccccc1[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000289695721 281366384 /nfs/dbraw/zinc/36/63/84/281366384.db2.gz FERVDWFUUFPGJH-WBVHZDCISA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccccc1[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000289695721 281366385 /nfs/dbraw/zinc/36/63/85/281366385.db2.gz FERVDWFUUFPGJH-WBVHZDCISA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccccc1[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000289695721 281366386 /nfs/dbraw/zinc/36/63/86/281366386.db2.gz FERVDWFUUFPGJH-WBVHZDCISA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccccc1[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000289695721 281366387 /nfs/dbraw/zinc/36/63/87/281366387.db2.gz FERVDWFUUFPGJH-WBVHZDCISA-N 2 1 288.435 2.239 20 0 CEADMP C[NH2+]CCC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000435869783 281399596 /nfs/dbraw/zinc/39/95/96/281399596.db2.gz LHGKQTUWXVRATE-CYBMUJFWSA-N 2 1 268.426 2.339 20 0 CEADMP C[NH2+]CCC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000435869783 281399598 /nfs/dbraw/zinc/39/95/98/281399598.db2.gz LHGKQTUWXVRATE-CYBMUJFWSA-N 2 1 268.426 2.339 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000261691126 282070639 /nfs/dbraw/zinc/07/06/39/282070639.db2.gz IMIPVXUUZZIEQE-ZIAGYGMSSA-N 2 1 283.460 2.131 20 0 CEADMP COC[C@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000158136377 289229209 /nfs/dbraw/zinc/22/92/09/289229209.db2.gz AKBFRHMYDUUGLF-IRXDYDNUSA-N 2 1 298.471 2.093 20 0 CEADMP C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000314066935 289283415 /nfs/dbraw/zinc/28/34/15/289283415.db2.gz WIFCDRGWWZBJDX-CABCVRRESA-N 2 1 279.428 2.368 20 0 CEADMP C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000314066935 289283418 /nfs/dbraw/zinc/28/34/18/289283418.db2.gz WIFCDRGWWZBJDX-CABCVRRESA-N 2 1 279.428 2.368 20 0 CEADMP C[NH+](C)[C@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000365400819 289373655 /nfs/dbraw/zinc/37/36/55/289373655.db2.gz BHDNMIMUNRACAP-HOTGVXAUSA-N 2 1 267.461 2.277 20 0 CEADMP CC(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459423638 290143512 /nfs/dbraw/zinc/14/35/12/290143512.db2.gz KENMKSSKDVVPJP-BBRMVZONSA-N 2 1 266.429 2.264 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3OCC[C@H]32)CC1 ZINC000459440008 290149769 /nfs/dbraw/zinc/14/97/69/290149769.db2.gz NPDHXUAXSCQPNG-JYJNAYRXSA-N 2 1 264.413 2.160 20 0 CEADMP C[C@H](CC[NH2+]C1CCN(C2CC2)CC1)[NH+]1CCCCC1 ZINC000459486756 290161832 /nfs/dbraw/zinc/16/18/32/290161832.db2.gz RYYCVPRGRXDUHC-OAHLLOKOSA-N 2 1 279.472 2.467 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C(F)(F)F ZINC000459496096 290164326 /nfs/dbraw/zinc/16/43/26/290164326.db2.gz GLWIJFRWZNVBSL-SECBINFHSA-N 2 1 250.308 2.401 20 0 CEADMP Cn1cncc1CC[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459561185 290179612 /nfs/dbraw/zinc/17/96/12/290179612.db2.gz MULHVLMQHVMUHK-MRXNPFEDSA-N 2 1 293.411 2.016 20 0 CEADMP COCC1(C)C[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000459623066 290197843 /nfs/dbraw/zinc/19/78/43/290197843.db2.gz PEXCFJZPPGARMR-UHFFFAOYSA-N 2 1 286.379 2.044 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459675610 290208655 /nfs/dbraw/zinc/20/86/55/290208655.db2.gz NESPMOLCOFDFOR-JKSUJKDBSA-N 2 1 289.423 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459675610 290208656 /nfs/dbraw/zinc/20/86/56/290208656.db2.gz NESPMOLCOFDFOR-JKSUJKDBSA-N 2 1 289.423 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459675608 290208674 /nfs/dbraw/zinc/20/86/74/290208674.db2.gz NESPMOLCOFDFOR-HZPDHXFCSA-N 2 1 289.423 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459675608 290208675 /nfs/dbraw/zinc/20/86/75/290208675.db2.gz NESPMOLCOFDFOR-HZPDHXFCSA-N 2 1 289.423 2.473 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)[C@@H]2CCC[C@H]21 ZINC000353610019 290215374 /nfs/dbraw/zinc/21/53/74/290215374.db2.gz VNNHOOFQBDXDNV-SDDRHHMPSA-N 2 1 258.356 2.494 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000459777217 290236755 /nfs/dbraw/zinc/23/67/55/290236755.db2.gz KINCFRAFKNZOGY-GJZGRUSLSA-N 2 1 291.439 2.343 20 0 CEADMP Cc1cccc2c(N[C@@H](C)C[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000462481581 290258946 /nfs/dbraw/zinc/25/89/46/290258946.db2.gz SHCOPRGVYVCGPI-HNNXBMFYSA-N 2 1 299.418 2.406 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](OC)C2)[C@H](C)C1 ZINC000471784504 290282523 /nfs/dbraw/zinc/28/25/23/290282523.db2.gz AHNFJCZCCUORRH-NCOADZHNSA-N 2 1 298.471 2.281 20 0 CEADMP C(=C/c1ccncc1)\C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000486944150 290322414 /nfs/dbraw/zinc/32/24/14/290322414.db2.gz WANXYRNRXGTNCY-OWOJBTEDSA-N 2 1 257.381 2.311 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCSCCOC)[C@H](C)C1 ZINC000488109507 290379031 /nfs/dbraw/zinc/37/90/31/290379031.db2.gz BUBJDBZKGNBWKP-CABCVRRESA-N 2 1 288.501 2.418 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCSCCOC)[C@H](C)C1 ZINC000488109507 290379032 /nfs/dbraw/zinc/37/90/32/290379032.db2.gz BUBJDBZKGNBWKP-CABCVRRESA-N 2 1 288.501 2.418 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCSCCOC)[C@H](C)C1 ZINC000488109507 290379034 /nfs/dbraw/zinc/37/90/34/290379034.db2.gz BUBJDBZKGNBWKP-CABCVRRESA-N 2 1 288.501 2.418 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000488418174 290397089 /nfs/dbraw/zinc/39/70/89/290397089.db2.gz MYMOSFNHMPCEQM-STQMWFEESA-N 2 1 253.415 2.311 20 0 CEADMP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374028637 297008946 /nfs/dbraw/zinc/00/89/46/297008946.db2.gz RLFQPVINGGNMGO-WCXIOVBPSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374028637 297008950 /nfs/dbraw/zinc/00/89/50/297008950.db2.gz RLFQPVINGGNMGO-WCXIOVBPSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374028637 297008954 /nfs/dbraw/zinc/00/89/54/297008954.db2.gz RLFQPVINGGNMGO-WCXIOVBPSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374028637 297008957 /nfs/dbraw/zinc/00/89/57/297008957.db2.gz RLFQPVINGGNMGO-WCXIOVBPSA-N 2 1 296.455 2.129 20 0 CEADMP Clc1cccc2c1OCCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335553455 294113731 /nfs/dbraw/zinc/11/37/31/294113731.db2.gz WOYLMGZPEZJEGL-ZDUSSCGKSA-N 2 1 266.772 2.363 20 0 CEADMP C[C@@H]1C[C@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1C ZINC000354403141 297338794 /nfs/dbraw/zinc/33/87/94/297338794.db2.gz ZJBBDLOCBBVXIZ-RBSFLKMASA-N 2 1 297.487 2.199 20 0 CEADMP CCCn1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cn1 ZINC000172044272 297486293 /nfs/dbraw/zinc/48/62/93/297486293.db2.gz FRGHEWCANIISQV-ZDUSSCGKSA-N 2 1 275.400 2.224 20 0 CEADMP OCc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000530223786 298056935 /nfs/dbraw/zinc/05/69/35/298056935.db2.gz PSXQCLNTYBBQHO-HUUCEWRRSA-N 2 1 292.398 2.140 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNc2ccnc3ccncc32)C1 ZINC000531534943 298109477 /nfs/dbraw/zinc/10/94/77/298109477.db2.gz GBIPJATYQYETOI-ZDUSSCGKSA-N 2 1 270.380 2.194 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000548059896 298390657 /nfs/dbraw/zinc/39/06/57/298390657.db2.gz DMTXSTFISUEVRN-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP CC[C@H](C)[NH+](C)CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548059896 298390658 /nfs/dbraw/zinc/39/06/58/298390658.db2.gz DMTXSTFISUEVRN-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP CC[C@H](C)[NH+](C)CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548059896 298390659 /nfs/dbraw/zinc/39/06/59/298390659.db2.gz DMTXSTFISUEVRN-HNNXBMFYSA-N 2 1 297.487 2.488 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H]1CCC12CCOCC2 ZINC000554560895 298513200 /nfs/dbraw/zinc/51/32/00/298513200.db2.gz MOEJAJRHUBKGPM-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000567315524 299051712 /nfs/dbraw/zinc/05/17/12/299051712.db2.gz XQRDWWSRJXNCFM-RBSFLKMASA-N 2 1 255.450 2.179 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000567315524 299051715 /nfs/dbraw/zinc/05/17/15/299051715.db2.gz XQRDWWSRJXNCFM-RBSFLKMASA-N 2 1 255.450 2.179 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nccn1Cc1ccccc1 ZINC000567343938 299054856 /nfs/dbraw/zinc/05/48/56/299054856.db2.gz BDDVSQHQHPZHBK-KGLIPLIRSA-N 2 1 272.396 2.147 20 0 CEADMP Cc1ccccc1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000567356552 299056793 /nfs/dbraw/zinc/05/67/93/299056793.db2.gz PIJDOONKXMISBM-UHFFFAOYSA-N 2 1 288.435 2.322 20 0 CEADMP CCN(C)c1ccc(CNCc2cnc3n2CCCC3)cn1 ZINC000515317108 313067880 /nfs/dbraw/zinc/06/78/80/313067880.db2.gz LWMZJNZKNHQWIX-UHFFFAOYSA-N 2 1 299.422 2.360 20 0 CEADMP CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000528009732 313224324 /nfs/dbraw/zinc/22/43/24/313224324.db2.gz WWFNWVVYDSSLBD-NPJQDHAYSA-N 2 1 266.429 2.405 20 0 CEADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC000528425975 313252615 /nfs/dbraw/zinc/25/26/15/313252615.db2.gz KANMHEMKHPNTGY-ZDUSSCGKSA-N 2 1 289.354 2.041 20 0 CEADMP C[C@@H]1CC(F)(F)CC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000530233184 313286679 /nfs/dbraw/zinc/28/66/79/313286679.db2.gz UXDJWSWFWBLNOO-SNPRPXQTSA-N 2 1 298.377 2.037 20 0 CEADMP C[C@@H]1CC(F)(F)CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000530233184 313286685 /nfs/dbraw/zinc/28/66/85/313286685.db2.gz UXDJWSWFWBLNOO-SNPRPXQTSA-N 2 1 298.377 2.037 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@@H](C)CC(=O)NC)N1CCCC1 ZINC000531946576 313334320 /nfs/dbraw/zinc/33/43/20/313334320.db2.gz NCPRZWPPYHZFLK-ZFWWWQNUSA-N 2 1 283.460 2.001 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cn2ccccc2n1 ZINC000551272240 313593306 /nfs/dbraw/zinc/59/33/06/313593306.db2.gz PHWGQULARVYZEV-LBPRGKRZSA-N 2 1 269.352 2.190 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000568410301 313953193 /nfs/dbraw/zinc/95/31/93/313953193.db2.gz IHFKLDKKVIBYQU-CABCVRRESA-N 2 1 293.411 2.064 20 0 CEADMP c1ccc(O[C@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000571047381 314068888 /nfs/dbraw/zinc/06/88/88/314068888.db2.gz WAESDUIMTSDLLZ-ZBFHGGJFSA-N 2 1 260.381 2.139 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CNC1(c2ccc(F)cc2)CCCC1 ZINC000571058466 314071201 /nfs/dbraw/zinc/07/12/01/314071201.db2.gz XGMUXTHCTDNPNN-MRXNPFEDSA-N 2 1 294.414 2.497 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000571058466 314071208 /nfs/dbraw/zinc/07/12/08/314071208.db2.gz XGMUXTHCTDNPNN-MRXNPFEDSA-N 2 1 294.414 2.497 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000571058466 314071211 /nfs/dbraw/zinc/07/12/11/314071211.db2.gz XGMUXTHCTDNPNN-MRXNPFEDSA-N 2 1 294.414 2.497 20 0 CEADMP c1cncc([C@@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000576399683 314271722 /nfs/dbraw/zinc/27/17/22/314271722.db2.gz ZTSRICYOZLBSQD-MRXNPFEDSA-N 2 1 259.397 2.261 20 0 CEADMP Cc1ccccc1CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000576466073 314278511 /nfs/dbraw/zinc/27/85/11/314278511.db2.gz NDIGMOPHFNNOED-IAGOWNOFSA-N 2 1 258.409 2.469 20 0 CEADMP CCc1cnc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)o1 ZINC000576520819 314284096 /nfs/dbraw/zinc/28/40/96/314284096.db2.gz OBIUVCZKLPPUIB-LBPRGKRZSA-N 2 1 263.385 2.201 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000576715154 314304344 /nfs/dbraw/zinc/30/43/44/314304344.db2.gz IXEHUUXOIGNHNW-DOTOQJQBSA-N 2 1 294.439 2.009 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000576715154 314304347 /nfs/dbraw/zinc/30/43/47/314304347.db2.gz IXEHUUXOIGNHNW-DOTOQJQBSA-N 2 1 294.439 2.009 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000576988273 314330001 /nfs/dbraw/zinc/33/00/01/314330001.db2.gz QDSBZLYLEBRMKD-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000577363291 314368152 /nfs/dbraw/zinc/36/81/52/314368152.db2.gz SVBPFIBPZDRZKS-PBHICJAKSA-N 2 1 299.422 2.183 20 0 CEADMP Clc1cccc2c1CC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000577382522 314370687 /nfs/dbraw/zinc/37/06/87/314370687.db2.gz VXQOHQZKCHQACM-IAQYHMDHSA-N 2 1 280.799 2.295 20 0 CEADMP [NH3+]Cc1noc(-c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000578505754 314486926 /nfs/dbraw/zinc/48/69/26/314486926.db2.gz HSJZQHQPCRHKIA-UHFFFAOYSA-N 2 1 272.352 2.181 20 0 CEADMP COc1cc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)c(F)cn1 ZINC000581269407 322382637 /nfs/dbraw/zinc/38/26/37/322382637.db2.gz MZHMCYRJTDKJQG-NWDGAFQWSA-N 2 1 281.375 2.222 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000581380461 322392432 /nfs/dbraw/zinc/39/24/32/322392432.db2.gz UZBJCJMWXXNGHN-LXTVHRRPSA-N 2 1 253.434 2.109 20 0 CEADMP C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000581380461 322392434 /nfs/dbraw/zinc/39/24/34/322392434.db2.gz UZBJCJMWXXNGHN-LXTVHRRPSA-N 2 1 253.434 2.109 20 0 CEADMP CC(C)(C)[NH2+]CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000560936601 327353134 /nfs/dbraw/zinc/35/31/34/327353134.db2.gz SJEKOIDHOHVDOS-UHFFFAOYSA-N 2 1 281.469 2.254 20 0 CEADMP COC(=O)c1cccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000156776650 522207332 /nfs/dbraw/zinc/20/73/32/522207332.db2.gz FBESXRKEGFYYCO-OAHLLOKOSA-N 2 1 278.396 2.278 20 0 CEADMP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cs1 ZINC000157052523 522284509 /nfs/dbraw/zinc/28/45/09/522284509.db2.gz VPINECGXFGUJMJ-NEPJUHHUSA-N 2 1 267.442 2.320 20 0 CEADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000070190010 517971184 /nfs/dbraw/zinc/97/11/84/517971184.db2.gz AGQOMMDIJATYPF-UHFFFAOYSA-N 2 1 293.386 2.086 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000161647982 518389071 /nfs/dbraw/zinc/38/90/71/518389071.db2.gz FMEADHCARQZDJP-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP C(C[NH+]1CCCCC1)C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000161647982 518389077 /nfs/dbraw/zinc/38/90/77/518389077.db2.gz FMEADHCARQZDJP-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP C([C@H]1CCOC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000363459626 518403434 /nfs/dbraw/zinc/40/34/34/518403434.db2.gz PDTZETYOXNSUFW-JKSUJKDBSA-N 2 1 266.429 2.221 20 0 CEADMP CC(C)(C)OCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150831905 518874308 /nfs/dbraw/zinc/87/43/08/518874308.db2.gz VUBHYRSVJNTPIM-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CCOc1cccc(C[NH2+]CCn2cc[nH+]c2C)c1 ZINC000049330191 521364793 /nfs/dbraw/zinc/36/47/93/521364793.db2.gz MRWTUEVOKCYVLB-UHFFFAOYSA-N 2 1 259.353 2.380 20 0 CEADMP COc1cc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1C ZINC000161718521 522338384 /nfs/dbraw/zinc/33/83/84/522338384.db2.gz HMAISXKMLOIZTC-HOCLYGCPSA-N 2 1 276.424 2.476 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000357091058 534636356 /nfs/dbraw/zinc/63/63/56/534636356.db2.gz VTQLSSUSNOUWRT-MRXNPFEDSA-N 2 1 262.397 2.059 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC000367472368 523814692 /nfs/dbraw/zinc/81/46/92/523814692.db2.gz JTLOWGDIMZAEAY-IAGOWNOFSA-N 2 1 277.456 2.055 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC([NH+]2CCCC2)CC1 ZINC000161647549 523820289 /nfs/dbraw/zinc/82/02/89/523820289.db2.gz BNQKPKGMOMSIMJ-OAHLLOKOSA-N 2 1 265.445 2.031 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCC1CC[NH2+]CC1 ZINC000050939623 524099757 /nfs/dbraw/zinc/09/97/57/524099757.db2.gz WRATXWJDXFCEHJ-OAHLLOKOSA-N 2 1 295.471 2.147 20 0 CEADMP Cc1cc(NC[C@H]2C[N@H+](C)CCN2C)c2ccccc2[nH+]1 ZINC000068806557 525277248 /nfs/dbraw/zinc/27/72/48/525277248.db2.gz QLINUNHBPUHMEO-AWEZNQCLSA-N 2 1 284.407 2.201 20 0 CEADMP Cc1cc(NC[C@H]2CN(C)CC[N@@H+]2C)c2ccccc2[nH+]1 ZINC000068806557 525277251 /nfs/dbraw/zinc/27/72/51/525277251.db2.gz QLINUNHBPUHMEO-AWEZNQCLSA-N 2 1 284.407 2.201 20 0 CEADMP Cc1cc(NC[C@H]2CN(C)CC[N@H+]2C)c2ccccc2[nH+]1 ZINC000068806557 525277260 /nfs/dbraw/zinc/27/72/60/525277260.db2.gz QLINUNHBPUHMEO-AWEZNQCLSA-N 2 1 284.407 2.201 20 0 CEADMP Cc1noc(C)c1CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000155996223 526498556 /nfs/dbraw/zinc/49/85/56/526498556.db2.gz VZAGYQQXLCDOQQ-RWSFTLGLSA-N 2 1 265.401 2.152 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCCO)[C@@H](C)C1 ZINC000357840654 527880393 /nfs/dbraw/zinc/88/03/93/527880393.db2.gz LYODYGIEVRXKII-KBPBESRZSA-N 2 1 256.434 2.105 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000357845858 527974582 /nfs/dbraw/zinc/97/45/82/527974582.db2.gz HLLAXDCWOLWRTI-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1C[C@H](C)[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000357845858 527974586 /nfs/dbraw/zinc/97/45/86/527974586.db2.gz HLLAXDCWOLWRTI-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC1([NH3+])CCCCC1 ZINC000418198094 527995635 /nfs/dbraw/zinc/99/56/35/527995635.db2.gz HEBOPCIYRCUHMR-AWEZNQCLSA-N 2 1 298.475 2.068 20 0 CEADMP CCCn1nc(C)c(C[NH2+]CCC[NH2+]C2CC2)c1C ZINC000415063785 528876945 /nfs/dbraw/zinc/87/69/45/528876945.db2.gz AYEZMKLNFAPNNA-UHFFFAOYSA-N 2 1 264.417 2.142 20 0 CEADMP Cc1ccccc1[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000726071585 574423638 /nfs/dbraw/zinc/42/36/38/574423638.db2.gz NBCNQBVGBFIMHY-SJORKVTESA-N 2 1 288.435 2.241 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)N(CC[NH+](C)C)CC(C)C ZINC000727862798 574457259 /nfs/dbraw/zinc/45/72/59/574457259.db2.gz TVACUIHUVZKDOY-UHFFFAOYSA-N 2 1 294.443 2.018 20 0 CEADMP c1cc(N2CCCC2)nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000733187599 574656481 /nfs/dbraw/zinc/65/64/81/574656481.db2.gz TUNGSTDWABFZOT-ZIAGYGMSSA-N 2 1 287.411 2.116 20 0 CEADMP c1cc(N2CCCC2)nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000733187599 574656483 /nfs/dbraw/zinc/65/64/83/574656483.db2.gz TUNGSTDWABFZOT-ZIAGYGMSSA-N 2 1 287.411 2.116 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000733614232 574682881 /nfs/dbraw/zinc/68/28/81/574682881.db2.gz GKSCCDPYUKYWAU-VHSXEESVSA-N 2 1 251.201 2.064 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000733614232 574682883 /nfs/dbraw/zinc/68/28/83/574682883.db2.gz GKSCCDPYUKYWAU-VHSXEESVSA-N 2 1 251.201 2.064 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)C1Cc2ccccc2C1 ZINC000738312043 574857999 /nfs/dbraw/zinc/85/79/99/574857999.db2.gz MCURJQZPELYTGG-UHFFFAOYSA-N 2 1 258.409 2.427 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000738427853 574862287 /nfs/dbraw/zinc/86/22/87/574862287.db2.gz TYQUQXJUAKUXRF-ARFHVFGLSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000738427853 574862290 /nfs/dbraw/zinc/86/22/90/574862290.db2.gz TYQUQXJUAKUXRF-ARFHVFGLSA-N 2 1 268.445 2.344 20 0 CEADMP C[N@H+](C[C@H](O)c1cc(F)ccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000741250764 574979332 /nfs/dbraw/zinc/97/93/32/574979332.db2.gz JKEQSKOFKOYZNY-LRDDRELGSA-N 2 1 298.377 2.272 20 0 CEADMP C[N@@H+](C[C@H](O)c1cc(F)ccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000741250764 574979333 /nfs/dbraw/zinc/97/93/33/574979333.db2.gz JKEQSKOFKOYZNY-LRDDRELGSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@H](O)c1cc(F)ccc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000741250764 574979334 /nfs/dbraw/zinc/97/93/34/574979334.db2.gz JKEQSKOFKOYZNY-LRDDRELGSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@H](O)c1cc(F)ccc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000741250764 574979335 /nfs/dbraw/zinc/97/93/35/574979335.db2.gz JKEQSKOFKOYZNY-LRDDRELGSA-N 2 1 298.377 2.272 20 0 CEADMP CC(C)CC[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000981953883 614030038 /nfs/dbraw/zinc/03/00/38/614030038.db2.gz VBRLUCXEHXNKEP-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000981953883 614030039 /nfs/dbraw/zinc/03/00/39/614030039.db2.gz VBRLUCXEHXNKEP-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)CC[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000981953883 614030040 /nfs/dbraw/zinc/03/00/40/614030040.db2.gz VBRLUCXEHXNKEP-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707558 614696224 /nfs/dbraw/zinc/69/62/24/614696224.db2.gz JJQBNFBQFFXPPF-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000947851796 614748482 /nfs/dbraw/zinc/74/84/82/614748482.db2.gz AMXPBHYVPQUFQH-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966080753 615192645 /nfs/dbraw/zinc/19/26/45/615192645.db2.gz YPYLYGMMJJDORC-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966080756 615265733 /nfs/dbraw/zinc/26/57/33/615265733.db2.gz YPYLYGMMJJDORC-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975105026 615417238 /nfs/dbraw/zinc/41/72/38/615417238.db2.gz AONSSZZRTKEVFB-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975105026 615417240 /nfs/dbraw/zinc/41/72/40/615417240.db2.gz AONSSZZRTKEVFB-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975105026 615417241 /nfs/dbraw/zinc/41/72/41/615417241.db2.gz AONSSZZRTKEVFB-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001024023880 625297632 /nfs/dbraw/zinc/29/76/32/625297632.db2.gz PZSOHDHNPFUGML-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP O[C@@H](C[N@@H+](CC1CC[NH2+]CC1)C1CC1)c1ccc(F)cc1 ZINC000261618048 623399867 /nfs/dbraw/zinc/39/98/67/623399867.db2.gz COPIFOZWFLBWHJ-KRWDZBQOSA-N 2 1 292.398 2.323 20 0 CEADMP Cc1nn(C)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1Cl ZINC000891611520 623825567 /nfs/dbraw/zinc/82/55/67/623825567.db2.gz NQYYLRFZBYRTQJ-UHFFFAOYSA-N 2 1 284.835 2.156 20 0 CEADMP Cc1cc([C@@H]2CCC[N@@H+]2CC2CC[NH+](C)CC2)no1 ZINC000891648063 623859866 /nfs/dbraw/zinc/85/98/66/623859866.db2.gz JNAVAIBIZWNXDC-HNNXBMFYSA-N 2 1 263.385 2.462 20 0 CEADMP Cc1nc([C@@H]2CCCC[N@H+]2CC2CC[NH+](C)CC2)no1 ZINC000891763257 623950327 /nfs/dbraw/zinc/95/03/27/623950327.db2.gz YAOLGNWPOUPFCK-AWEZNQCLSA-N 2 1 278.400 2.247 20 0 CEADMP Cc1nc([C@@H]2CCCC[N@@H+]2CC2CC[NH+](C)CC2)no1 ZINC000891763257 623950329 /nfs/dbraw/zinc/95/03/29/623950329.db2.gz YAOLGNWPOUPFCK-AWEZNQCLSA-N 2 1 278.400 2.247 20 0 CEADMP CO[C@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933732561 623982129 /nfs/dbraw/zinc/98/21/29/623982129.db2.gz SIPAFBCQTFEYIY-GVDBMIGSSA-N 2 1 274.408 2.258 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933732561 623982132 /nfs/dbraw/zinc/98/21/32/623982132.db2.gz SIPAFBCQTFEYIY-GVDBMIGSSA-N 2 1 274.408 2.258 20 0 CEADMP CO[C@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933732561 623982137 /nfs/dbraw/zinc/98/21/37/623982137.db2.gz SIPAFBCQTFEYIY-GVDBMIGSSA-N 2 1 274.408 2.258 20 0 CEADMP CO[C@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933732561 623982141 /nfs/dbraw/zinc/98/21/41/623982141.db2.gz SIPAFBCQTFEYIY-GVDBMIGSSA-N 2 1 274.408 2.258 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CC(C)(C)OC3(C)C)C[C@]2(C)C1 ZINC000933735591 623984332 /nfs/dbraw/zinc/98/43/32/623984332.db2.gz YOAKRKOVXFDSKZ-CPUCHLNUSA-N 2 1 280.456 2.464 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)OC3(C)C)C[C@]2(C)C1 ZINC000933735591 623984334 /nfs/dbraw/zinc/98/43/34/623984334.db2.gz YOAKRKOVXFDSKZ-CPUCHLNUSA-N 2 1 280.456 2.464 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000891908003 624089902 /nfs/dbraw/zinc/08/99/02/624089902.db2.gz AMXJYYOBNMJOLU-HUUCEWRRSA-N 2 1 298.475 2.020 20 0 CEADMP COC1CCC(C[N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC000891933908 624116499 /nfs/dbraw/zinc/11/64/99/624116499.db2.gz OOXSVQBJSFIPSW-UHFFFAOYSA-N 2 1 268.445 2.465 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2nccc3c2CCCC3)C1 ZINC000892033244 624263927 /nfs/dbraw/zinc/26/39/27/624263927.db2.gz DEYHXWMXCNLYJP-AWEZNQCLSA-N 2 1 273.424 2.344 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC000892033244 624263930 /nfs/dbraw/zinc/26/39/30/624263930.db2.gz DEYHXWMXCNLYJP-AWEZNQCLSA-N 2 1 273.424 2.344 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C(C)C)C1 ZINC001022958606 624794843 /nfs/dbraw/zinc/79/48/43/624794843.db2.gz QEXYUMJZPFXJIY-XHSDSOJGSA-N 2 1 295.471 2.286 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(F)c(C)c1 ZINC000892510780 625744200 /nfs/dbraw/zinc/74/42/00/625744200.db2.gz UQULLHJMDBLGCC-LLVKDONJSA-N 2 1 276.359 2.460 20 0 CEADMP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000892569468 627277833 /nfs/dbraw/zinc/27/78/33/627277833.db2.gz AAKSAICYQCGINQ-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000892569468 627277835 /nfs/dbraw/zinc/27/78/35/627277835.db2.gz AAKSAICYQCGINQ-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006925015 627286218 /nfs/dbraw/zinc/28/62/18/627286218.db2.gz JPRLSBHETGQBGE-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001006925015 627286221 /nfs/dbraw/zinc/28/62/21/627286221.db2.gz JPRLSBHETGQBGE-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(CC)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006925015 627286227 /nfs/dbraw/zinc/28/62/27/627286227.db2.gz JPRLSBHETGQBGE-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161030640 627297728 /nfs/dbraw/zinc/29/77/28/627297728.db2.gz GJRZEVZBKNYYEA-UHFFFAOYSA-N 2 1 293.411 2.247 20 0 CEADMP Cc1cc(F)ncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000892606353 627305396 /nfs/dbraw/zinc/30/53/96/627305396.db2.gz AFXOUKRWPYMYNU-KBPBESRZSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1cc(F)ncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000892606353 627305400 /nfs/dbraw/zinc/30/54/00/627305400.db2.gz AFXOUKRWPYMYNU-KBPBESRZSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000892620465 627318326 /nfs/dbraw/zinc/31/83/26/627318326.db2.gz AKEUWDIFDDZJTB-GFCCVEGCSA-N 2 1 265.376 2.351 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902345526 634584511 /nfs/dbraw/zinc/58/45/11/634584511.db2.gz DMZRDKZIRMTWIX-UONOGXRCSA-N 2 1 255.450 2.085 20 0 CEADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000924592816 627662594 /nfs/dbraw/zinc/66/25/94/627662594.db2.gz SGKWDKIRHSLALB-JKSUJKDBSA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309800950 627876603 /nfs/dbraw/zinc/87/66/03/627876603.db2.gz JXKLIUPTZOJYRW-DLBZAZTESA-N 2 1 276.424 2.259 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC1SCCS1 ZINC000853022985 627918613 /nfs/dbraw/zinc/91/86/13/627918613.db2.gz JIWRAGNFWMIOPP-NSHDSACASA-N 2 1 260.472 2.386 20 0 CEADMP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nc1 ZINC000893085999 627991354 /nfs/dbraw/zinc/99/13/54/627991354.db2.gz LCFRJFDEQYTHEP-GOOCMWNKSA-N 2 1 275.396 2.195 20 0 CEADMP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nc1 ZINC000893085999 627991358 /nfs/dbraw/zinc/99/13/58/627991358.db2.gz LCFRJFDEQYTHEP-GOOCMWNKSA-N 2 1 275.396 2.195 20 0 CEADMP OC[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)Cc1ccccc1 ZINC000925502764 627993664 /nfs/dbraw/zinc/99/36/64/627993664.db2.gz LXBFCNXHOXNIAI-IAGOWNOFSA-N 2 1 288.435 2.102 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C12CCC2 ZINC000925515335 628053580 /nfs/dbraw/zinc/05/35/80/628053580.db2.gz HSLCLYARSRKAMH-FRRDWIJNSA-N 2 1 252.402 2.064 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387259 634629932 /nfs/dbraw/zinc/62/99/32/634629932.db2.gz ITHUEUYMARMJCY-KGLIPLIRSA-N 2 1 255.450 2.083 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000925538107 628152976 /nfs/dbraw/zinc/15/29/76/628152976.db2.gz RJEUIOKBIWIMEV-ZOBUZTSGSA-N 2 1 273.424 2.243 20 0 CEADMP CC[N@@H+](CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C(C)C ZINC000925556546 628219745 /nfs/dbraw/zinc/21/97/45/628219745.db2.gz KBNGMPZKLCMVLO-ILXRZTDVSA-N 2 1 267.461 2.083 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775383091 628251674 /nfs/dbraw/zinc/25/16/74/628251674.db2.gz UJQIBCWXQKGONO-JHJVBQTASA-N 2 1 283.466 2.161 20 0 CEADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925576742 628252634 /nfs/dbraw/zinc/25/26/34/628252634.db2.gz YKOJYEMPDVQCSP-VNQPRFMTSA-N 2 1 274.408 2.373 20 0 CEADMP Cc1cc(C)cc(OCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000925584320 628263595 /nfs/dbraw/zinc/26/35/95/628263595.db2.gz LEUQOJSBDSBEJW-GCDKYVQMSA-N 2 1 286.419 2.268 20 0 CEADMP Cc1cccc(C)c1OCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925586511 628265172 /nfs/dbraw/zinc/26/51/72/628265172.db2.gz SUFBPUOKCHTLNY-SMLCLMEVSA-N 2 1 286.419 2.268 20 0 CEADMP C[C@@H]([NH3+])[C@@H]([NH2+]C1CCC(CO)CC1)c1ccccc1 ZINC000925612542 628294730 /nfs/dbraw/zinc/29/47/30/628294730.db2.gz SJYJKWOKYHVPDU-FKFRUQKQSA-N 2 1 262.397 2.216 20 0 CEADMP [NH3+]CCC[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccccc1 ZINC000925617957 628306547 /nfs/dbraw/zinc/30/65/47/628306547.db2.gz YIVHROZSGDFQRT-CVEARBPZSA-N 2 1 284.407 2.337 20 0 CEADMP CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001026505615 628341424 /nfs/dbraw/zinc/34/14/24/628341424.db2.gz JXHGPCHBENDNTD-QQFBHYJXSA-N 2 1 295.471 2.001 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)Nc1cc(NC)[nH+]cn1 ZINC000123085771 628343509 /nfs/dbraw/zinc/34/35/09/628343509.db2.gz RZWPXQUFJSBQQD-GFCCVEGCSA-N 2 1 265.405 2.441 20 0 CEADMP CC(C)C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000120322134 628363435 /nfs/dbraw/zinc/36/34/35/628363435.db2.gz VYPXURNRGMILLR-ZNMIVQPWSA-N 2 1 255.450 2.035 20 0 CEADMP CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000120322134 628363436 /nfs/dbraw/zinc/36/34/36/628363436.db2.gz VYPXURNRGMILLR-ZNMIVQPWSA-N 2 1 255.450 2.035 20 0 CEADMP OC[C@]1(C[NH2+][C@H]2CC[NH2+]C23CCC3)C[C@@H]1c1ccccc1 ZINC000925669197 628450772 /nfs/dbraw/zinc/45/07/72/628450772.db2.gz QLKXECPVSHGMQY-IXDOHACOSA-N 2 1 286.419 2.027 20 0 CEADMP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccccc1 ZINC000925669299 628451979 /nfs/dbraw/zinc/45/19/79/628451979.db2.gz AAXJLHFSFXXYDG-SDADXPQNSA-N 2 1 262.397 2.337 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000925676726 628465732 /nfs/dbraw/zinc/46/57/32/628465732.db2.gz KVRPMSMMZZZNQY-LBPRGKRZSA-N 2 1 287.329 2.373 20 0 CEADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCSC1 ZINC000123897874 628476311 /nfs/dbraw/zinc/47/63/11/628476311.db2.gz LFSWGQPYHZVSKE-CQSZACIVSA-N 2 1 262.422 2.270 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)C2 ZINC000902443181 634660291 /nfs/dbraw/zinc/66/02/91/634660291.db2.gz KOWUZZATRCTNKX-BBRMVZONSA-N 2 1 274.408 2.140 20 0 CEADMP C[C@@H]([NH3+])[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000925696854 628531737 /nfs/dbraw/zinc/53/17/37/628531737.db2.gz BOPQCBGWYJTQAT-UKRRQHHQSA-N 3 1 261.413 2.054 20 0 CEADMP C[C@@H]([NH3+])[C@@H](NCC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000925696854 628531740 /nfs/dbraw/zinc/53/17/40/628531740.db2.gz BOPQCBGWYJTQAT-UKRRQHHQSA-N 2 1 261.413 2.054 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925710482 628558518 /nfs/dbraw/zinc/55/85/18/628558518.db2.gz KVABDJNVLNYPAJ-PMPSAXMXSA-N 2 1 281.488 2.331 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCOC23CCCCC3)CC1 ZINC000925711791 628562438 /nfs/dbraw/zinc/56/24/38/628562438.db2.gz RPTRILPSJATNNX-OAHLLOKOSA-N 2 1 264.413 2.330 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008754300 628566389 /nfs/dbraw/zinc/56/63/89/628566389.db2.gz MUAKMIZRPAFYKI-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008754300 628566390 /nfs/dbraw/zinc/56/63/90/628566390.db2.gz MUAKMIZRPAFYKI-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008754300 628566392 /nfs/dbraw/zinc/56/63/92/628566392.db2.gz MUAKMIZRPAFYKI-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H]1COCC1(C)C)[NH+]1CCCC1 ZINC000312975341 628571229 /nfs/dbraw/zinc/57/12/29/628571229.db2.gz CIXMLEKQDMITTL-KGLIPLIRSA-N 2 1 254.418 2.121 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[C@@H]1OC ZINC000902476023 634667491 /nfs/dbraw/zinc/66/74/91/634667491.db2.gz LZNSEXUAZDQSPH-ITGHMWBKSA-N 2 1 252.402 2.063 20 0 CEADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000093232469 628609977 /nfs/dbraw/zinc/60/99/77/628609977.db2.gz FJHYXQFUTCKLNP-NSHDSACASA-N 2 1 256.777 2.308 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)cc1OC ZINC000902448022 634671064 /nfs/dbraw/zinc/67/10/64/634671064.db2.gz WVRMWVRZLWPVTA-MLGOLLRUSA-N 2 1 292.423 2.222 20 0 CEADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000902454193 634675892 /nfs/dbraw/zinc/67/58/92/634675892.db2.gz QZAISOXAGWLLJW-JHJVBQTASA-N 2 1 272.458 2.017 20 0 CEADMP Cc1cncc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000925777806 628800664 /nfs/dbraw/zinc/80/06/64/628800664.db2.gz QPSAGRJNAIZIFE-WCQYABFASA-N 2 1 269.339 2.285 20 0 CEADMP C1CC2(C1)CC[C@@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925789624 628831608 /nfs/dbraw/zinc/83/16/08/628831608.db2.gz ASZYOPIOPZHSCD-KBPBESRZSA-N 2 1 264.413 2.067 20 0 CEADMP C1CC2(C1)CC[C@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925789627 628831764 /nfs/dbraw/zinc/83/17/64/628831764.db2.gz ASZYOPIOPZHSCD-ZIAGYGMSSA-N 2 1 264.413 2.067 20 0 CEADMP C[C@@H](NCC(C)(C)[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261540234 628936317 /nfs/dbraw/zinc/93/63/17/628936317.db2.gz DVQQMKOPUROWRW-GDBMZVCRSA-N 2 1 275.440 2.224 20 0 CEADMP c1ccc(N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000107981772 628939896 /nfs/dbraw/zinc/93/98/96/628939896.db2.gz SLXHLKVCFDGMPC-MRXNPFEDSA-N 2 1 273.424 2.198 20 0 CEADMP Cc1ccncc1[C@@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925846987 628950333 /nfs/dbraw/zinc/95/03/33/628950333.db2.gz ZCJQJNKQSHAJOG-MRXNPFEDSA-N 2 1 290.455 2.116 20 0 CEADMP Cn1nc(C2CC2)cc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925873039 628971423 /nfs/dbraw/zinc/97/14/23/628971423.db2.gz DRQOLBRGYGGWAD-VNQPRFMTSA-N 2 1 288.439 2.164 20 0 CEADMP CCc1onc(C)c1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000925890269 628985272 /nfs/dbraw/zinc/98/52/72/628985272.db2.gz OATDWHSORHYOLG-ZWNOBZJWSA-N 2 1 251.374 2.023 20 0 CEADMP C[N@H+](Cc1ccc2oc(=O)oc2c1)CC1CC[NH+](C)CC1 ZINC000894000881 629081547 /nfs/dbraw/zinc/08/15/47/629081547.db2.gz BVJSRWYWCIQKMN-UHFFFAOYSA-N 2 1 290.363 2.160 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(CCCOC(F)(F)F)C1 ZINC000878167285 629222850 /nfs/dbraw/zinc/22/28/50/629222850.db2.gz ROQPSROJIGEPIH-NSHDSACASA-N 2 1 268.323 2.187 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCCOC(F)(F)F)C1 ZINC000878167285 629222854 /nfs/dbraw/zinc/22/28/54/629222854.db2.gz ROQPSROJIGEPIH-NSHDSACASA-N 2 1 268.323 2.187 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOC(F)(F)F)C1 ZINC000878167285 629222857 /nfs/dbraw/zinc/22/28/57/629222857.db2.gz ROQPSROJIGEPIH-NSHDSACASA-N 2 1 268.323 2.187 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOC(F)(F)F)C1 ZINC000878167285 629222862 /nfs/dbraw/zinc/22/28/62/629222862.db2.gz ROQPSROJIGEPIH-NSHDSACASA-N 2 1 268.323 2.187 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOC(F)(F)F)C1 ZINC000878167285 629222866 /nfs/dbraw/zinc/22/28/66/629222866.db2.gz ROQPSROJIGEPIH-NSHDSACASA-N 2 1 268.323 2.187 20 0 CEADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261804487 629248794 /nfs/dbraw/zinc/24/87/94/629248794.db2.gz ZCLKOQDBEDPEQK-IRXDYDNUSA-N 2 1 291.414 2.256 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000328264056 629282949 /nfs/dbraw/zinc/28/29/49/629282949.db2.gz NTYKZYCZGYIQCC-OAHLLOKOSA-N 2 1 267.461 2.323 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnnc2)C1 ZINC000924959186 629297154 /nfs/dbraw/zinc/29/71/54/629297154.db2.gz IKLVEOYSVLHHEJ-KGLIPLIRSA-N 2 1 262.401 2.248 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccnnc2)C1 ZINC000924959186 629297157 /nfs/dbraw/zinc/29/71/57/629297157.db2.gz IKLVEOYSVLHHEJ-KGLIPLIRSA-N 2 1 262.401 2.248 20 0 CEADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000924994839 629332857 /nfs/dbraw/zinc/33/28/57/629332857.db2.gz SIDFVJJNBMUOPW-KFWWJZLASA-N 2 1 254.418 2.024 20 0 CEADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000925009492 629349475 /nfs/dbraw/zinc/34/94/75/629349475.db2.gz HNEDZYWEQNKZQH-PVAVHDDUSA-N 2 1 290.455 2.063 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000925021979 629368110 /nfs/dbraw/zinc/36/81/10/629368110.db2.gz DGHCXIOXWQTKHX-PNRVRQOCSA-N 2 1 298.496 2.240 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@]2(C)Br)C1 ZINC000894457239 629471688 /nfs/dbraw/zinc/47/16/88/629471688.db2.gz WNYKHWWANVBKDW-UPJWGTAASA-N 2 1 289.261 2.480 20 0 CEADMP CCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(C)n1 ZINC000894455892 629472699 /nfs/dbraw/zinc/47/26/99/629472699.db2.gz NHLZQQSYPPKOGF-AWEZNQCLSA-N 2 1 264.417 2.031 20 0 CEADMP CCn1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(C)n1 ZINC000894455892 629472700 /nfs/dbraw/zinc/47/27/00/629472700.db2.gz NHLZQQSYPPKOGF-AWEZNQCLSA-N 2 1 264.417 2.031 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)CC1CCC(OC)CC1 ZINC000894471172 629480546 /nfs/dbraw/zinc/48/05/46/629480546.db2.gz KNQBZMYBWJQEOZ-UHFFFAOYSA-N 2 1 256.434 2.465 20 0 CEADMP COC[C@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000902612636 634743972 /nfs/dbraw/zinc/74/39/72/634743972.db2.gz LJGIIJHIKXGXDU-NUDNTCICSA-N 2 1 297.443 2.276 20 0 CEADMP COC[C@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000902612636 634743975 /nfs/dbraw/zinc/74/39/75/634743975.db2.gz LJGIIJHIKXGXDU-NUDNTCICSA-N 2 1 297.443 2.276 20 0 CEADMP CNc1cc(NCC2CC[NH+](CC3CC3)CC2)nc[nH+]1 ZINC000894641709 629570844 /nfs/dbraw/zinc/57/08/44/629570844.db2.gz HCKSIXGRFXIPPY-UHFFFAOYSA-N 2 1 275.400 2.052 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262057917 629653296 /nfs/dbraw/zinc/65/32/96/629653296.db2.gz QXJCCLMZFRPJTQ-UHFFFAOYSA-N 2 1 288.391 2.049 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928437684 629664124 /nfs/dbraw/zinc/66/41/24/629664124.db2.gz CPPHIXXTKOZVEY-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CC[C@H](C[NH2+]CC1CCC2(CC1)OCCO2)[NH+]1CCCC1 ZINC000795894629 629701292 /nfs/dbraw/zinc/70/12/92/629701292.db2.gz QCNRLBYFGLVMMD-MRXNPFEDSA-N 2 1 296.455 2.384 20 0 CEADMP C[N@@H+](CC1CC[NH+](C)CC1)C(C)(C)CN1CCCC1 ZINC000894963824 629770762 /nfs/dbraw/zinc/77/07/62/629770762.db2.gz CKKJJDNQXVEYAA-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP CN(CC1CC[NH+](C)CC1)C(C)(C)C[NH+]1CCCC1 ZINC000894963824 629770763 /nfs/dbraw/zinc/77/07/63/629770763.db2.gz CKKJJDNQXVEYAA-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@H](Nc3nc(N)cc(C)[nH+]3)C2)cc1 ZINC000894990143 629782841 /nfs/dbraw/zinc/78/28/41/629782841.db2.gz SHOMVSOUWOUIEE-OAHLLOKOSA-N 2 1 297.406 2.362 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](Nc3nc(N)cc(C)[nH+]3)C2)cc1 ZINC000894990143 629782846 /nfs/dbraw/zinc/78/28/46/629782846.db2.gz SHOMVSOUWOUIEE-OAHLLOKOSA-N 2 1 297.406 2.362 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCCC2(C)C)C1 ZINC000909429126 629843146 /nfs/dbraw/zinc/84/31/46/629843146.db2.gz HIVSBYPJBICVFJ-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+]2CCCC2(C)C)C1 ZINC000909429126 629843149 /nfs/dbraw/zinc/84/31/49/629843149.db2.gz HIVSBYPJBICVFJ-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+]2CCCC2(C)C)C1 ZINC000909429126 629843152 /nfs/dbraw/zinc/84/31/52/629843152.db2.gz HIVSBYPJBICVFJ-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(C)(O)CC2)[C@H]2CCC[C@H]21 ZINC000796799523 630010698 /nfs/dbraw/zinc/01/06/98/630010698.db2.gz QFKDORFUZUHLAR-JJCQNKCGSA-N 2 1 266.429 2.142 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](OC3CCC3)C2)CC1 ZINC000895210833 630037260 /nfs/dbraw/zinc/03/72/60/630037260.db2.gz GCIPHXNCJKNMPP-MRXNPFEDSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)[C@@H]2CCC[C@H]21 ZINC000796854414 630039420 /nfs/dbraw/zinc/03/94/20/630039420.db2.gz KMGMLMKVAYELFD-FXUDXRNXSA-N 2 1 294.439 2.135 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)[C@H]2CCC[C@@H]21 ZINC000796854421 630039571 /nfs/dbraw/zinc/03/95/71/630039571.db2.gz KMGMLMKVAYELFD-WCVJEAGWSA-N 2 1 294.439 2.135 20 0 CEADMP COc1cc(C)ccc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895291336 630081585 /nfs/dbraw/zinc/08/15/85/630081585.db2.gz CYGMAKNQSFDGQT-CYBMUJFWSA-N 2 1 250.386 2.433 20 0 CEADMP COc1cc(C)c(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1OC ZINC000895297004 630089308 /nfs/dbraw/zinc/08/93/08/630089308.db2.gz IDBJOTQAJMZBSV-CYBMUJFWSA-N 2 1 280.412 2.442 20 0 CEADMP CCc1c[nH]c2nc[nH+]c(N3CC[C@@H](CC[NH+](C)C)C3)c12 ZINC000895319330 630106396 /nfs/dbraw/zinc/10/63/96/630106396.db2.gz HQJZESABTNZUQE-GFCCVEGCSA-N 2 1 287.411 2.298 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2CCC=CO2)CCN1c1cc[nH+]cc1 ZINC000895556938 630248511 /nfs/dbraw/zinc/24/85/11/630248511.db2.gz NOMSMHFMERCHSH-GOEBONIOSA-N 2 1 273.380 2.285 20 0 CEADMP Cn1ncc(CNC[C@H]2CCCC[N@@H+](C)C2)c1C1CC1 ZINC000895587345 630262364 /nfs/dbraw/zinc/26/23/64/630262364.db2.gz PSQJCDWOZCPKQC-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1ncc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1C1CC1 ZINC000895587345 630262365 /nfs/dbraw/zinc/26/23/65/630262365.db2.gz PSQJCDWOZCPKQC-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1C1CC1 ZINC000895587345 630262368 /nfs/dbraw/zinc/26/23/68/630262368.db2.gz PSQJCDWOZCPKQC-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000895813952 630358721 /nfs/dbraw/zinc/35/87/21/630358721.db2.gz NPSJRNLKGXIKBP-CABCVRRESA-N 2 1 297.487 2.486 20 0 CEADMP C[C@H]1C(=O)Nc2ccccc2C[N@H+]1CC1CC[NH+](C)CC1 ZINC000895815726 630359315 /nfs/dbraw/zinc/35/93/15/630359315.db2.gz FHZJZCHADWBUNJ-ZDUSSCGKSA-N 2 1 287.407 2.171 20 0 CEADMP C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000895815726 630359320 /nfs/dbraw/zinc/35/93/20/630359320.db2.gz FHZJZCHADWBUNJ-ZDUSSCGKSA-N 2 1 287.407 2.171 20 0 CEADMP C1C[C@@H]2C[C@@H]([NH2+][C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)CC[N@H+]2C1 ZINC000902752249 634809736 /nfs/dbraw/zinc/80/97/36/634809736.db2.gz IJWRYLFNGLZNKC-HCCOSRNKSA-N 2 1 276.424 2.016 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000896340884 630537565 /nfs/dbraw/zinc/53/75/65/630537565.db2.gz MRKJRQYUQDBOFO-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000896340884 630537567 /nfs/dbraw/zinc/53/75/67/630537567.db2.gz MRKJRQYUQDBOFO-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000896340884 630537571 /nfs/dbraw/zinc/53/75/71/630537571.db2.gz MRKJRQYUQDBOFO-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCS[C@@H](C(F)(F)F)C2)CC1 ZINC000896454177 630564913 /nfs/dbraw/zinc/56/49/13/630564913.db2.gz UDSSRULOYDYQPM-LLVKDONJSA-N 2 1 282.375 2.308 20 0 CEADMP C[NH+](C)CC[C@@H](NCCC[C@@H]1CCO1)c1cccnc1 ZINC000896717644 630648885 /nfs/dbraw/zinc/64/88/85/630648885.db2.gz UNLIMNFELOGMBA-HZPDHXFCSA-N 2 1 277.412 2.233 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC)C1 ZINC000985024416 630769861 /nfs/dbraw/zinc/76/98/61/630769861.db2.gz GKJFTSGPQPCBCL-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP C[NH+](C)CC1CCC(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000897158302 630967303 /nfs/dbraw/zinc/96/73/03/630967303.db2.gz ZDRHBABWWXBUFB-YMAMQOFZSA-N 2 1 295.471 2.096 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000904318540 635566671 /nfs/dbraw/zinc/56/66/71/635566671.db2.gz RTFHVAXGNOPYLN-KLPPZKSPSA-N 2 1 250.773 2.435 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@@H](c3ccccn3)C2)CCC[NH2+]C1 ZINC000904336165 635577435 /nfs/dbraw/zinc/57/74/35/635577435.db2.gz DUKZMEZUBUTRBF-GDBMZVCRSA-N 2 1 259.397 2.261 20 0 CEADMP OCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000799728420 631071947 /nfs/dbraw/zinc/07/19/47/631071947.db2.gz BJTCZLJEVSYEQZ-KZNAEPCWSA-N 2 1 288.435 2.197 20 0 CEADMP CC[C@H](C(=O)N1CCC([N@@H+](C)CCC2CC2)CC1)[NH+](C)C ZINC000985496769 631109385 /nfs/dbraw/zinc/10/93/85/631109385.db2.gz PVEWRLCDHNJRLC-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000985502370 631111643 /nfs/dbraw/zinc/11/16/43/631111643.db2.gz PYAZIYOTCRTQES-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCOC(=O)C1CC[NH+](C2CC2)CC1 ZINC000801875609 631346577 /nfs/dbraw/zinc/34/65/77/631346577.db2.gz QYMWGBYOSRNFNP-HNNXBMFYSA-N 2 1 294.439 2.278 20 0 CEADMP CCOc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421297 635632708 /nfs/dbraw/zinc/63/27/08/635632708.db2.gz XFHXOWIEXJTZJX-DZGCQCFKSA-N 2 1 260.381 2.127 20 0 CEADMP CC(C)(C)c1ncc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000904420860 635632825 /nfs/dbraw/zinc/63/28/25/635632825.db2.gz IVCTTXZSHFNFIY-NWDGAFQWSA-N 2 1 279.453 2.482 20 0 CEADMP CC(C)(C)c1ncc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000904420860 635632827 /nfs/dbraw/zinc/63/28/27/635632827.db2.gz IVCTTXZSHFNFIY-NWDGAFQWSA-N 2 1 279.453 2.482 20 0 CEADMP Cc1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000257650730 631689332 /nfs/dbraw/zinc/68/93/32/631689332.db2.gz DFLTWNRCDMICHS-UHFFFAOYSA-N 2 1 251.399 2.027 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](c3ccccn3)C2)CC[NH2+]1 ZINC000841018661 631792670 /nfs/dbraw/zinc/79/26/70/631792670.db2.gz NEIUXIOTUASCBK-KFWWJZLASA-N 2 1 259.397 2.259 20 0 CEADMP COCCCC1(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCC1 ZINC000897620541 631831435 /nfs/dbraw/zinc/83/14/35/631831435.db2.gz SQNRITPCMPRZPQ-JKSUJKDBSA-N 2 1 280.456 2.467 20 0 CEADMP COCCCC1(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCC1 ZINC000897620541 631831441 /nfs/dbraw/zinc/83/14/41/631831441.db2.gz SQNRITPCMPRZPQ-JKSUJKDBSA-N 2 1 280.456 2.467 20 0 CEADMP COCCCC1(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCC1 ZINC000897620541 631831447 /nfs/dbraw/zinc/83/14/47/631831447.db2.gz SQNRITPCMPRZPQ-JKSUJKDBSA-N 2 1 280.456 2.467 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCCCCC[NH+]1CCCC1 ZINC000897854134 631947909 /nfs/dbraw/zinc/94/79/09/631947909.db2.gz YSQLWTZRXMBRKO-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)s1 ZINC000897957314 631990416 /nfs/dbraw/zinc/99/04/16/631990416.db2.gz BSBVNDWYMXQUBL-CYZMBNFOSA-N 2 1 265.426 2.483 20 0 CEADMP C1=CO[C@H](C[NH+]2CCC([NH2+]C3CCC3)CC2)CC1 ZINC000897981622 632004857 /nfs/dbraw/zinc/00/48/57/632004857.db2.gz OXWVMIFQYPMLRT-HNNXBMFYSA-N 2 1 250.386 2.286 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3nonc3c2)[C@@H](C)C1 ZINC000897991793 632009219 /nfs/dbraw/zinc/00/92/19/632009219.db2.gz UHJNCKPMFUQZFN-WCQYABFASA-N 2 1 274.368 2.043 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3nonc3c2)[C@@H](C)C1 ZINC000897991793 632009226 /nfs/dbraw/zinc/00/92/26/632009226.db2.gz UHJNCKPMFUQZFN-WCQYABFASA-N 2 1 274.368 2.043 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000898035758 632029734 /nfs/dbraw/zinc/02/97/34/632029734.db2.gz ZXJNFCWOISRBNH-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000898035758 632029737 /nfs/dbraw/zinc/02/97/37/632029737.db2.gz ZXJNFCWOISRBNH-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000898035758 632029744 /nfs/dbraw/zinc/02/97/44/632029744.db2.gz ZXJNFCWOISRBNH-CABCVRRESA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000898110540 632054926 /nfs/dbraw/zinc/05/49/26/632054926.db2.gz FWQCXUCPXDMYOW-CQSZACIVSA-N 2 1 252.402 2.162 20 0 CEADMP Cc1n[nH]cc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738617 632135706 /nfs/dbraw/zinc/13/57/06/632135706.db2.gz BUUHQOXIDBGCBR-UHFFFAOYSA-N 2 1 272.396 2.412 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC1CCC2(CC1)OCCO2 ZINC000809764790 632143196 /nfs/dbraw/zinc/14/31/96/632143196.db2.gz ISZGLAUTPREBGJ-GOEBONIOSA-N 2 1 296.455 2.192 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC1CCC2(CC1)OCCO2 ZINC000809764790 632143203 /nfs/dbraw/zinc/14/32/03/632143203.db2.gz ISZGLAUTPREBGJ-GOEBONIOSA-N 2 1 296.455 2.192 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC1CCC2(CC1)OCCO2 ZINC000809764790 632143206 /nfs/dbraw/zinc/14/32/06/632143206.db2.gz ISZGLAUTPREBGJ-GOEBONIOSA-N 2 1 296.455 2.192 20 0 CEADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC1CCC2(CC1)OCCO2 ZINC000809764790 632143212 /nfs/dbraw/zinc/14/32/12/632143212.db2.gz ISZGLAUTPREBGJ-GOEBONIOSA-N 2 1 296.455 2.192 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322594013 632224109 /nfs/dbraw/zinc/22/41/09/632224109.db2.gz KMRJXJVBIMOTSV-NDNKKMJESA-N 2 1 262.401 2.004 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322594013 632224118 /nfs/dbraw/zinc/22/41/18/632224118.db2.gz KMRJXJVBIMOTSV-NDNKKMJESA-N 2 1 262.401 2.004 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000810612529 632239037 /nfs/dbraw/zinc/23/90/37/632239037.db2.gz DVSBONCCCCJGBT-NSHDSACASA-N 2 1 284.319 2.085 20 0 CEADMP O=C(O[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c[nH+]cn2c1 ZINC000810838898 632284557 /nfs/dbraw/zinc/28/45/57/632284557.db2.gz SMGQNFVZSSNAHG-UKRRQHHQSA-N 2 1 285.347 2.118 20 0 CEADMP C(C[N@H+]1CC[C@@H]2CSC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000866703132 632341720 /nfs/dbraw/zinc/34/17/20/632341720.db2.gz FMAJWOMWBHKPAK-MJBXVCDLSA-N 2 1 254.443 2.061 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccc(F)cc1F ZINC000841063184 632373437 /nfs/dbraw/zinc/37/34/37/632373437.db2.gz JOPAFBWJLJUPTP-YGRLFVJLSA-N 2 1 254.324 2.237 20 0 CEADMP CC[C@H](C[NH2+]C1CC2(C1)CO[C@@H](C)C2)[NH+]1CCCC1 ZINC000924640699 632379937 /nfs/dbraw/zinc/37/99/37/632379937.db2.gz YLEXITOQBOZTPO-JWMHWRSXSA-N 2 1 266.429 2.408 20 0 CEADMP CCO[C@H](C[NH2+][C@H]1CC2CCC1CC2)C[NH+](C)C ZINC000926958250 632385708 /nfs/dbraw/zinc/38/57/08/632385708.db2.gz FIQLBLRHNZGZIL-CVSAEHQPSA-N 2 1 254.418 2.121 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CCC12CCCC2)C[NH+](C)C ZINC000926962661 632390071 /nfs/dbraw/zinc/39/00/71/632390071.db2.gz RKZPSBORKHQHAZ-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CON1CCC([NH2+]C[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000924651544 632393912 /nfs/dbraw/zinc/39/39/12/632393912.db2.gz VASDCFBKPMYWOS-KRWDZBQOSA-N 2 1 297.487 2.358 20 0 CEADMP CCO[C@H](C[NH2+][C@@H](C)Cc1ccsc1)C[NH+](C)C ZINC000926965097 632394343 /nfs/dbraw/zinc/39/43/43/632394343.db2.gz OVGOBBKJQCNLIO-GXTWGEPZSA-N 2 1 270.442 2.235 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000924657180 632396967 /nfs/dbraw/zinc/39/69/67/632396967.db2.gz VBXWMCUJYZXHNH-YMAMQOFZSA-N 2 1 254.418 2.123 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]C2[C@H](C)CC[C@H]2C)CC1 ZINC000924657466 632398183 /nfs/dbraw/zinc/39/81/83/632398183.db2.gz DQCTVIMWQNAJKP-HZPDHXFCSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cnnn1-c1ccccc1 ZINC000813325987 632665081 /nfs/dbraw/zinc/66/50/81/632665081.db2.gz NXPUQLWCTRJDNC-GJZGRUSLSA-N 2 1 299.422 2.260 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cnnn1-c1ccccc1 ZINC000813325987 632665084 /nfs/dbraw/zinc/66/50/84/632665084.db2.gz NXPUQLWCTRJDNC-GJZGRUSLSA-N 2 1 299.422 2.260 20 0 CEADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000900080059 633398532 /nfs/dbraw/zinc/39/85/32/633398532.db2.gz ABUZQWFNRITTBJ-OAHLLOKOSA-N 2 1 295.471 2.190 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1c[nH+]ccc1N ZINC000817892892 633755690 /nfs/dbraw/zinc/75/56/90/633755690.db2.gz WOFJSTSANUAFHU-OLZOCXBDSA-N 2 1 283.375 2.396 20 0 CEADMP Cc1cccc(F)c1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817898012 633759672 /nfs/dbraw/zinc/75/96/72/633759672.db2.gz YQQZGJDYFRHXIF-USXIJHARSA-N 2 1 292.398 2.381 20 0 CEADMP C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000817913439 633772259 /nfs/dbraw/zinc/77/22/59/633772259.db2.gz PFPRBIJEVGBCNS-YVECIDJPSA-N 2 1 268.426 2.290 20 0 CEADMP CC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000817913691 633772319 /nfs/dbraw/zinc/77/23/19/633772319.db2.gz QRVYCKNOGBFEGE-PMPSAXMXSA-N 2 1 262.397 2.014 20 0 CEADMP C[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000817917568 633776650 /nfs/dbraw/zinc/77/66/50/633776650.db2.gz OJCOMWVZOCYUJI-NUEKZKHPSA-N 2 1 274.408 2.230 20 0 CEADMP C[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1c[nH+]ccc1N ZINC000817918586 633777243 /nfs/dbraw/zinc/77/72/43/633777243.db2.gz WGKQLQGALPDATF-MEDUHNTESA-N 2 1 289.354 2.192 20 0 CEADMP COc1cccc2[nH]cc(CC[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)c21 ZINC000817920473 633778510 /nfs/dbraw/zinc/77/85/10/633778510.db2.gz MNVSWUTUAHUJPJ-SWLSCSKDSA-N 2 1 287.407 2.307 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000817942109 633790000 /nfs/dbraw/zinc/79/00/00/633790000.db2.gz XSWGIKNOVHRQOK-CYBMUJFWSA-N 2 1 258.369 2.132 20 0 CEADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000817980186 633823095 /nfs/dbraw/zinc/82/30/95/633823095.db2.gz SFWMBMMOUHMLOC-OCCSQVGLSA-N 2 1 291.395 2.421 20 0 CEADMP Cc1cc(C)cc([C@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000818971722 634023613 /nfs/dbraw/zinc/02/36/13/634023613.db2.gz CLZCJNCKPQZNOS-CRAIPNDOSA-N 2 1 288.435 2.411 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cc2F)C1 ZINC000818981190 634027923 /nfs/dbraw/zinc/02/79/23/634027923.db2.gz SADXHNTVTRLKMR-LRDDRELGSA-N 2 1 298.377 2.320 20 0 CEADMP CCCCCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000819105403 634069731 /nfs/dbraw/zinc/06/97/31/634069731.db2.gz LDCYDJZLKKHBOR-ZNMIVQPWSA-N 2 1 256.434 2.390 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000819365790 634156472 /nfs/dbraw/zinc/15/64/72/634156472.db2.gz ANDIUOMFDQJVSE-HOCLYGCPSA-N 2 1 262.397 2.042 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000819366309 634157467 /nfs/dbraw/zinc/15/74/67/634157467.db2.gz NHKSZQWBILMUCF-MLGOLLRUSA-N 2 1 298.377 2.320 20 0 CEADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903058786 634950082 /nfs/dbraw/zinc/95/00/82/634950082.db2.gz SYTFEPOAOAOXKP-ONQFOCNCSA-N 2 1 286.419 2.467 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[NH+]3CCC[C@@H]3C1)C2 ZINC000903071463 634966738 /nfs/dbraw/zinc/96/67/38/634966738.db2.gz BTXGCACKAYTNFN-AYQZXGCCSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000903071463 634966739 /nfs/dbraw/zinc/96/67/39/634966739.db2.gz BTXGCACKAYTNFN-AYQZXGCCSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000903071463 634966741 /nfs/dbraw/zinc/96/67/41/634966741.db2.gz BTXGCACKAYTNFN-AYQZXGCCSA-N 2 1 289.467 2.361 20 0 CEADMP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[NH+]3CCC[C@@H]3C1)C2 ZINC000903071463 634966742 /nfs/dbraw/zinc/96/67/42/634966742.db2.gz BTXGCACKAYTNFN-AYQZXGCCSA-N 3 1 289.467 2.361 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[NH+]3CCC[C@@H]3C1)C2 ZINC000903071463 634966744 /nfs/dbraw/zinc/96/67/44/634966744.db2.gz BTXGCACKAYTNFN-AYQZXGCCSA-N 3 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000903071463 634966745 /nfs/dbraw/zinc/96/67/45/634966745.db2.gz BTXGCACKAYTNFN-AYQZXGCCSA-N 3 1 289.467 2.361 20 0 CEADMP C1CC1[NH+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000903071463 634966746 /nfs/dbraw/zinc/96/67/46/634966746.db2.gz BTXGCACKAYTNFN-AYQZXGCCSA-N 3 1 289.467 2.361 20 0 CEADMP CC(C)(CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903103605 634970869 /nfs/dbraw/zinc/97/08/69/634970869.db2.gz KVEQMZZZMBRXID-LQDVMPOASA-N 2 1 266.429 2.142 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903093743 634975255 /nfs/dbraw/zinc/97/52/55/634975255.db2.gz UFBFYTPCHJCDKL-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP CSC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903097251 634977386 /nfs/dbraw/zinc/97/73/86/634977386.db2.gz DXTVURDJCXFTQY-WDFAYWTNSA-N 2 1 254.443 2.485 20 0 CEADMP C[C@@H](CO)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903128997 634983569 /nfs/dbraw/zinc/98/35/69/634983569.db2.gz CYHXYTVQFYXXAZ-WPXLMEDKSA-N 2 1 266.429 2.142 20 0 CEADMP C/C=C/C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903151949 634997463 /nfs/dbraw/zinc/99/74/63/634997463.db2.gz KTLXNOGYYQVYME-DBPNSUOWSA-N 2 1 264.413 2.061 20 0 CEADMP C[C@@H](CCO)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903177671 634999789 /nfs/dbraw/zinc/99/97/89/634999789.db2.gz RAZWUWDVLFCPSD-WPXLMEDKSA-N 2 1 266.429 2.142 20 0 CEADMP C[C@H]1COCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903171028 635004963 /nfs/dbraw/zinc/00/49/63/635004963.db2.gz MCOODXFBOGENPS-AEIJQKHESA-N 2 1 278.440 2.406 20 0 CEADMP FC1(F)C[C@@H]1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903200728 635010184 /nfs/dbraw/zinc/01/01/84/635010184.db2.gz SQNYKAGDSIQWEC-VWPFFFCUSA-N 2 1 286.366 2.158 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903207880 635015838 /nfs/dbraw/zinc/01/58/38/635015838.db2.gz WBURCDZOUAIEIK-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1[C@H](NC2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1C ZINC000903302028 635049496 /nfs/dbraw/zinc/04/94/96/635049496.db2.gz XJMHQJNENSCKKG-RHSMWYFYSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1C ZINC000903302028 635049498 /nfs/dbraw/zinc/04/94/98/635049498.db2.gz XJMHQJNENSCKKG-RHSMWYFYSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H](CO)CCc2ccccc2)CC[N@@H+]1C ZINC000903290571 635053752 /nfs/dbraw/zinc/05/37/52/635053752.db2.gz YXHQOKPLWJRHOC-UAGQMJEPSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@H](CO)CCc2ccccc2)CC[N@H+]1C ZINC000903290571 635053758 /nfs/dbraw/zinc/05/37/58/635053758.db2.gz YXHQOKPLWJRHOC-UAGQMJEPSA-N 2 1 276.424 2.052 20 0 CEADMP Cc1cc(CO)cc(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000903306728 635058121 /nfs/dbraw/zinc/05/81/21/635058121.db2.gz AXOPYCPJBLAKDQ-ZBFHGGJFSA-N 2 1 276.424 2.368 20 0 CEADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000903308831 635059887 /nfs/dbraw/zinc/05/98/87/635059887.db2.gz LKBOFYVUOZCFRM-ULQDDVLXSA-N 2 1 292.398 2.250 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H](CC[NH+](C)C)c2cccnc2)CC[N@H+]1C ZINC000903384121 635094914 /nfs/dbraw/zinc/09/49/14/635094914.db2.gz QFIMLXNJAYOMKF-HYVNUMGLSA-N 2 1 290.455 2.147 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000903436716 635116550 /nfs/dbraw/zinc/11/65/50/635116550.db2.gz AFXRRYQSUCEPFT-XOKHGSTOSA-N 2 1 258.409 2.331 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](CCO)[C@H]2CCCc3ccccc32)C1 ZINC000903438174 635117690 /nfs/dbraw/zinc/11/76/90/635117690.db2.gz RMFHKPVCBCDQFS-LESCRADOSA-N 2 1 288.435 2.486 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C(C)C ZINC000903460866 635126367 /nfs/dbraw/zinc/12/63/67/635126367.db2.gz KNASEASVFHQQNV-LUKYLMHMSA-N 2 1 298.471 2.123 20 0 CEADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000903461479 635127006 /nfs/dbraw/zinc/12/70/06/635127006.db2.gz VBHRSAYYQYUTST-LYYZXLFJSA-N 2 1 266.429 2.251 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000903441844 635128137 /nfs/dbraw/zinc/12/81/37/635128137.db2.gz CDIARMMGQFHLQF-IXDOHACOSA-N 2 1 279.472 2.325 20 0 CEADMP c1cc(CC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)sn1 ZINC000903453556 635136913 /nfs/dbraw/zinc/13/69/13/635136913.db2.gz BMITWEQNOKEEAK-QWHCGFSZSA-N 2 1 265.426 2.007 20 0 CEADMP C[C@H](c1ncccn1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000903453581 635137208 /nfs/dbraw/zinc/13/72/08/635137208.db2.gz CNTOGAQNJJHKIU-QLFBSQMISA-N 2 1 274.412 2.249 20 0 CEADMP CC1(C)CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)OC1 ZINC000903472603 635142792 /nfs/dbraw/zinc/14/27/92/635142792.db2.gz SVVCKVRQRBHGOW-QWHCGFSZSA-N 2 1 252.402 2.066 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(C)nn1 ZINC000903476303 635144851 /nfs/dbraw/zinc/14/48/51/635144851.db2.gz TZZZDNAQRZCCHB-MRXNPFEDSA-N 2 1 276.428 2.290 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@H]1C(F)(F)F ZINC000903478656 635147288 /nfs/dbraw/zinc/14/72/88/635147288.db2.gz KOZYEEDROVTABD-KAMPLNKDSA-N 2 1 298.299 2.347 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)COC3)C[C@H]1CC[NH3+] ZINC000903500377 635154424 /nfs/dbraw/zinc/15/44/24/635154424.db2.gz ZRKTYGVAZZJZCK-TZMCWYRMSA-N 2 1 260.381 2.134 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)C[C@H]1CC[NH3+] ZINC000903496779 635157127 /nfs/dbraw/zinc/15/71/27/635157127.db2.gz CVVQXAIYXIEBHW-TZMCWYRMSA-N 2 1 285.391 2.357 20 0 CEADMP C[N@H+](Cc1cccc(F)c1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718146 635233958 /nfs/dbraw/zinc/23/39/58/635233958.db2.gz HKVZOFOGBDCOIL-MRXNPFEDSA-N 2 1 292.398 2.416 20 0 CEADMP CCCC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903721964 635235121 /nfs/dbraw/zinc/23/51/21/635235121.db2.gz GOLRNKYPECSJMZ-HNNXBMFYSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@H+](Cc1ccc(F)c(F)c1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722993 635236419 /nfs/dbraw/zinc/23/64/19/635236419.db2.gz FPPVLSXETTXKAY-XJKSGUPXSA-N 2 1 296.361 2.165 20 0 CEADMP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000903725603 635238591 /nfs/dbraw/zinc/23/85/91/635238591.db2.gz DODNCQXWNZQBRH-FXUDXRNXSA-N 2 1 264.413 2.020 20 0 CEADMP CC[C@H](C)C[N@@H+](CC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903733416 635239385 /nfs/dbraw/zinc/23/93/85/635239385.db2.gz JYCHZZVWLPNTKV-RRFJBIMHSA-N 2 1 254.418 2.123 20 0 CEADMP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000903727859 635239675 /nfs/dbraw/zinc/23/96/75/635239675.db2.gz YKPGSXZCTYICAT-BZUAXINKSA-N 2 1 278.440 2.410 20 0 CEADMP COC1CCC([N@@H+](C)C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903729561 635240524 /nfs/dbraw/zinc/24/05/24/635240524.db2.gz OVDKZSXCXIBKPK-NFOMZHRRSA-N 2 1 254.418 2.266 20 0 CEADMP CCC1(CC)CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903730806 635242537 /nfs/dbraw/zinc/24/25/37/635242537.db2.gz ZKPLQAXKSWTKLU-ZBFHGGJFSA-N 2 1 266.429 2.267 20 0 CEADMP CC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCC1 ZINC000903733632 635250569 /nfs/dbraw/zinc/25/05/69/635250569.db2.gz LTRJPICHVASQLP-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000903736495 635251615 /nfs/dbraw/zinc/25/16/15/635251615.db2.gz JTYKJSBSQDNCEU-INIZCTEOSA-N 2 1 279.472 2.326 20 0 CEADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903769358 635259773 /nfs/dbraw/zinc/25/97/73/635259773.db2.gz DLJLJSZJGOZXHJ-RQJABVFESA-N 2 1 286.366 2.017 20 0 CEADMP CC1CC(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000903769562 635259881 /nfs/dbraw/zinc/25/98/81/635259881.db2.gz JFTBXAPWXZCZIA-MMVSWEMESA-N 2 1 264.335 2.492 20 0 CEADMP C[C@@H]1c2sccc2CC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903783996 635268994 /nfs/dbraw/zinc/26/89/94/635268994.db2.gz IRCXTTIIGXLRJO-INWMFGNUSA-N 2 1 292.448 2.436 20 0 CEADMP COCC(COC)[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000903782552 635269118 /nfs/dbraw/zinc/26/91/18/635269118.db2.gz PGBORYSPKOTDRS-YOEHRIQHSA-N 2 1 298.471 2.267 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@H]1CCC2(CCC2)O1 ZINC000903802041 635278699 /nfs/dbraw/zinc/27/86/99/635278699.db2.gz QPYIHWYSJQLPKY-SQWLQELKSA-N 2 1 264.413 2.291 20 0 CEADMP NC[C@]12CC[C@@H]1CCC[N@@H+]2C[C@H]1CCC2(CCC2)O1 ZINC000903802041 635278692 /nfs/dbraw/zinc/27/86/92/635278692.db2.gz QPYIHWYSJQLPKY-SQWLQELKSA-N 2 1 264.413 2.291 20 0 CEADMP NC[C@]12CC[C@@H]1CCC[N@H+]2C[C@H]1CCC2(CCC2)O1 ZINC000903802041 635278694 /nfs/dbraw/zinc/27/86/94/635278694.db2.gz QPYIHWYSJQLPKY-SQWLQELKSA-N 2 1 264.413 2.291 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@H]1CCC2(CCC2)O1 ZINC000903802041 635278702 /nfs/dbraw/zinc/27/87/02/635278702.db2.gz QPYIHWYSJQLPKY-SQWLQELKSA-N 2 1 264.413 2.291 20 0 CEADMP CO[C@H](C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+])C1CCCC1 ZINC000903803466 635280026 /nfs/dbraw/zinc/28/00/26/635280026.db2.gz YIEFOTCGNGSZMS-OAGGEKHMSA-N 2 1 266.429 2.395 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+])C1CCCC1 ZINC000903803466 635280029 /nfs/dbraw/zinc/28/00/29/635280029.db2.gz YIEFOTCGNGSZMS-OAGGEKHMSA-N 2 1 266.429 2.395 20 0 CEADMP CC(F)(F)CCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819548 635289142 /nfs/dbraw/zinc/28/91/42/635289142.db2.gz KIZGAQOZIBXBMJ-UHFFFAOYSA-N 2 1 276.371 2.266 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000903825344 635293757 /nfs/dbraw/zinc/29/37/57/635293757.db2.gz ZKBNCZPWFSSOHO-IAGOWNOFSA-N 2 1 296.455 2.036 20 0 CEADMP Cn1cc([C@@H]2CSCCC[N@H+]2CCCCCC[NH3+])cn1 ZINC000903829159 635295230 /nfs/dbraw/zinc/29/52/30/635295230.db2.gz AZEKFHVAJZAVLK-HNNXBMFYSA-N 2 1 296.484 2.419 20 0 CEADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)nc1 ZINC000903831075 635295755 /nfs/dbraw/zinc/29/57/55/635295755.db2.gz CUNBGYUUZUIBIJ-CJNGLKHVSA-N 2 1 275.396 2.227 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](Cc3nccs3)C2)C1 ZINC000903832891 635296581 /nfs/dbraw/zinc/29/65/81/635296581.db2.gz SJVQYNVGEZZTMB-RWMBFGLXSA-N 2 1 265.426 2.135 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903854774 635306791 /nfs/dbraw/zinc/30/67/91/635306791.db2.gz KHUVRWHGIDGRFK-GOEBONIOSA-N 2 1 259.397 2.066 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903854774 635306799 /nfs/dbraw/zinc/30/67/99/635306799.db2.gz KHUVRWHGIDGRFK-GOEBONIOSA-N 2 1 259.397 2.066 20 0 CEADMP CC1(C)CC[C@H](C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])OC1 ZINC000903856580 635307948 /nfs/dbraw/zinc/30/79/48/635307948.db2.gz ADWWWSOIRIUUNW-GZBFAFLISA-N 2 1 252.402 2.005 20 0 CEADMP CC1(C)CC[C@H](C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])OC1 ZINC000903856580 635307952 /nfs/dbraw/zinc/30/79/52/635307952.db2.gz ADWWWSOIRIUUNW-GZBFAFLISA-N 2 1 252.402 2.005 20 0 CEADMP Cc1c(Cl)cccc1N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000903863151 635314116 /nfs/dbraw/zinc/31/41/16/635314116.db2.gz JMFHXNDDCPHJPS-AWEZNQCLSA-N 2 1 293.842 2.380 20 0 CEADMP CO[C@@H](C[N@@H+]1CCC[C@@]12CC[NH2+]C2)C1CCCC1 ZINC000903871895 635320436 /nfs/dbraw/zinc/32/04/36/635320436.db2.gz WTNBSTGYZTXWMD-GJZGRUSLSA-N 2 1 252.402 2.020 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@@]12CC[NH2+]C2)C1CCCC1 ZINC000903871895 635320441 /nfs/dbraw/zinc/32/04/41/635320441.db2.gz WTNBSTGYZTXWMD-GJZGRUSLSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+]([C@@H](C)C(C)C)C2CC2)cnn1C ZINC000903873590 635321062 /nfs/dbraw/zinc/32/10/62/635321062.db2.gz UKETZEIWNLQYCX-DZGCQCFKSA-N 2 1 292.471 2.355 20 0 CEADMP CC[C@H]1CCC[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903894588 635330703 /nfs/dbraw/zinc/33/07/03/635330703.db2.gz AEFMKUGAJXYCQB-JKSUJKDBSA-N 2 1 292.471 2.358 20 0 CEADMP CC[C@]1(C)CCC[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903895026 635330875 /nfs/dbraw/zinc/33/08/75/635330875.db2.gz JTDDHEBRDDOSQB-NVXWUHKLSA-N 2 1 292.471 2.358 20 0 CEADMP Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903898165 635333796 /nfs/dbraw/zinc/33/37/96/635333796.db2.gz LFYXAJYLBHPEHJ-HUORLRHWSA-N 2 1 288.439 2.260 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H](C)CCC[C@@H]2C)cnn1C ZINC000903897023 635334134 /nfs/dbraw/zinc/33/41/34/635334134.db2.gz XVAJGGGSLVKUDZ-OFQRWUPVSA-N 2 1 292.471 2.356 20 0 CEADMP c1cc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c2c(c1)C[NH2+]CC2 ZINC000903909227 635343068 /nfs/dbraw/zinc/34/30/68/635343068.db2.gz CTNBAGPGBMDNGW-RDJZCZTQSA-N 2 1 286.419 2.191 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2C[C@H](C)CC(C)(C)C2)cnn1C ZINC000903908116 635343168 /nfs/dbraw/zinc/34/31/68/635343168.db2.gz CZQGCKQKABFZEH-HIFRSBDPSA-N 2 1 292.471 2.214 20 0 CEADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)[C@H](C)O1 ZINC000903912722 635345838 /nfs/dbraw/zinc/34/58/38/635345838.db2.gz IFCJIKBDXYWVQU-VCNMHKKLSA-N 2 1 252.402 2.015 20 0 CEADMP COCC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1CC[C@@H](C)C1 ZINC000903912917 635346126 /nfs/dbraw/zinc/34/61/26/635346126.db2.gz KDSUAPOQXBHJCE-IJLUTSLNSA-N 2 1 264.360 2.106 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000903912496 635346160 /nfs/dbraw/zinc/34/61/60/635346160.db2.gz FVNGDKZSLZAOKL-PSAQHYCVSA-N 2 1 264.413 2.018 20 0 CEADMP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCOCC2(CCCC2)C1 ZINC000903916509 635364674 /nfs/dbraw/zinc/36/46/74/635364674.db2.gz SSLNZYFEIDDQPO-MQVJKMGUSA-N 2 1 278.440 2.410 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000903947438 635378870 /nfs/dbraw/zinc/37/88/70/635378870.db2.gz UNNCRUKEJCRFKZ-UHFFFAOYSA-N 2 1 299.422 2.185 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000903947415 635379334 /nfs/dbraw/zinc/37/93/34/635379334.db2.gz STZLZJDECNOHGH-UHFFFAOYSA-N 2 1 285.395 2.175 20 0 CEADMP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903954223 635388413 /nfs/dbraw/zinc/38/84/13/635388413.db2.gz ARCZWVIRSHEYED-CYBMUJFWSA-N 2 1 254.324 2.329 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1CC[NH3+] ZINC000903977105 635394385 /nfs/dbraw/zinc/39/43/85/635394385.db2.gz JCGBSPGQHVLHIE-UKRRQHHQSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C[C@H]1CC[NH3+] ZINC000903976865 635394489 /nfs/dbraw/zinc/39/44/89/635394489.db2.gz FPKNZKGOLUBDRM-UKRRQHHQSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]1C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C[C@H]1CC[NH3+] ZINC000903976865 635394492 /nfs/dbraw/zinc/39/44/92/635394492.db2.gz FPKNZKGOLUBDRM-UKRRQHHQSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C[C@H]1CC[NH3+] ZINC000903976865 635394499 /nfs/dbraw/zinc/39/44/99/635394499.db2.gz FPKNZKGOLUBDRM-UKRRQHHQSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000903968333 635400790 /nfs/dbraw/zinc/40/07/90/635400790.db2.gz SXGQQNYOSAJRKS-DOMZBBRYSA-N 2 1 274.408 2.345 20 0 CEADMP C[N@H+](C[C@@H]1COc2ccccc2O1)C[C@]1(C)CCC[NH2+]C1 ZINC000904303889 635555737 /nfs/dbraw/zinc/55/57/37/635555737.db2.gz LBFCWEMWHYYVSF-RHSMWYFYSA-N 2 1 290.407 2.148 20 0 CEADMP C[N@@H+](C[C@@H]1COc2ccccc2O1)C[C@]1(C)CCC[NH2+]C1 ZINC000904303889 635555740 /nfs/dbraw/zinc/55/57/40/635555740.db2.gz LBFCWEMWHYYVSF-RHSMWYFYSA-N 2 1 290.407 2.148 20 0 CEADMP COc1cc(C[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)ccc1O ZINC000904307576 635558813 /nfs/dbraw/zinc/55/88/13/635558813.db2.gz RMFLLLGXPDPMMY-INIZCTEOSA-N 2 1 278.396 2.222 20 0 CEADMP COc1cc(C[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)ccc1O ZINC000904307576 635558821 /nfs/dbraw/zinc/55/88/21/635558821.db2.gz RMFLLLGXPDPMMY-INIZCTEOSA-N 2 1 278.396 2.222 20 0 CEADMP C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904313249 635559917 /nfs/dbraw/zinc/55/99/17/635559917.db2.gz XQTHTYDYUORMGL-DOTOQJQBSA-N 2 1 276.424 2.259 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000904334265 635577378 /nfs/dbraw/zinc/57/73/78/635577378.db2.gz QMPUHYCONXKUDP-ZIAGYGMSSA-N 3 1 255.450 2.201 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000904334265 635577376 /nfs/dbraw/zinc/57/73/76/635577376.db2.gz QMPUHYCONXKUDP-ZIAGYGMSSA-N 3 1 255.450 2.201 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@H](OCC3CC3)C2)CCC[NH2+]C1 ZINC000904340762 635578373 /nfs/dbraw/zinc/57/83/73/635578373.db2.gz CIHMEBWBXDKIOF-JKSUJKDBSA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)C1 ZINC000904346278 635582115 /nfs/dbraw/zinc/58/21/15/635582115.db2.gz SRADPCNPCPERHO-FGTMMUONSA-N 2 1 288.435 2.447 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1nccn1C1CC1)CC[NH2+]CC2 ZINC000904374351 635595312 /nfs/dbraw/zinc/59/53/12/635595312.db2.gz QLOOHHDZGFGVPY-ZDUSSCGKSA-N 2 1 274.412 2.182 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1nccn1C1CC1 ZINC000904376429 635602101 /nfs/dbraw/zinc/60/21/01/635602101.db2.gz RZJKNFBKWYDGDI-UHFFFAOYSA-N 2 1 270.380 2.227 20 0 CEADMP C[N@H+]1CC[C@@H]2CN(C[C@H]([NH3+])CCC(C)(C)C)CC[C@@H]21 ZINC000904385383 635607243 /nfs/dbraw/zinc/60/72/43/635607243.db2.gz XBKLCWVUMNCXNA-KFWWJZLASA-N 2 1 267.461 2.166 20 0 CEADMP Cc1csc(C[C@@H]2CCC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)n1 ZINC000904386229 635608506 /nfs/dbraw/zinc/60/85/06/635608506.db2.gz SZRVCVKIGXOWKP-MELADBBJSA-N 2 1 279.453 2.443 20 0 CEADMP CCOC(=O)[C@@H](CCCC(C)C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904385984 635608818 /nfs/dbraw/zinc/60/88/18/635608818.db2.gz MCGMPGPFUAFZLJ-HZSPNIEDSA-N 2 1 270.417 2.071 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406130 635613551 /nfs/dbraw/zinc/61/35/51/635613551.db2.gz PXCAQZVQKXICQR-YVZNUBBCSA-N 2 1 260.381 2.379 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000904409772 635615255 /nfs/dbraw/zinc/61/52/55/635615255.db2.gz IAKXFAAQCJFRDS-NSHDSACASA-N 2 1 276.409 2.309 20 0 CEADMP COCCOc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000904410148 635616596 /nfs/dbraw/zinc/61/65/96/635616596.db2.gz BKPIYOKQQAGGKN-ZBFHGGJFSA-N 2 1 292.423 2.129 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000904412847 635620278 /nfs/dbraw/zinc/62/02/78/635620278.db2.gz XUGXFGKEZUNJCO-SWLSCSKDSA-N 2 1 275.396 2.062 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)CC[NH2+]C1 ZINC000904434826 635628781 /nfs/dbraw/zinc/62/87/81/635628781.db2.gz YUKZIGSBDDXBGX-CVEARBPZSA-N 2 1 266.429 2.125 20 0 CEADMP Cc1ncc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1C ZINC000825915828 635731769 /nfs/dbraw/zinc/73/17/69/635731769.db2.gz BKMCTAJEYRDGGP-UHFFFAOYSA-N 2 1 286.423 2.422 20 0 CEADMP Cc1ncc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1C ZINC000825915828 635731779 /nfs/dbraw/zinc/73/17/79/635731779.db2.gz BKMCTAJEYRDGGP-UHFFFAOYSA-N 2 1 286.423 2.422 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCS2)C1 ZINC000905043863 635784996 /nfs/dbraw/zinc/78/49/96/635784996.db2.gz ZWDAMOAKGSHLPE-KBPBESRZSA-N 2 1 298.500 2.116 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000826592480 635790853 /nfs/dbraw/zinc/79/08/53/635790853.db2.gz FTBVBEFJJXPWBS-CQSZACIVSA-N 2 1 283.460 2.096 20 0 CEADMP CC[C@](O)(C[NH2+]C[C@H](C)C[NH+]1CCCC1)C(F)(F)F ZINC000905055993 635803495 /nfs/dbraw/zinc/80/34/95/635803495.db2.gz VKMDEYBZWDKASP-RYUDHWBXSA-N 2 1 282.350 2.011 20 0 CEADMP COc1sc(C[NH2+]C2CC([NH3+])C2)cc1Br ZINC000906509255 636760283 /nfs/dbraw/zinc/76/02/83/636760283.db2.gz COMIFJCCDXGNEW-UHFFFAOYSA-N 2 1 291.214 2.099 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2cnc(-c3ccccc3)s2)C1 ZINC000906510734 636762117 /nfs/dbraw/zinc/76/21/17/636762117.db2.gz TUAJPHOPDNYKNY-UHFFFAOYSA-N 2 1 259.378 2.389 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000907742779 637103546 /nfs/dbraw/zinc/10/35/46/637103546.db2.gz GVRXZKBSSBTSHH-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[C@@]1(C)CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000830798313 637164519 /nfs/dbraw/zinc/16/45/19/637164519.db2.gz HFWSZLHJXDKJPM-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)C[C@@]1(C)CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000830798313 637164524 /nfs/dbraw/zinc/16/45/24/637164524.db2.gz HFWSZLHJXDKJPM-JKSUJKDBSA-N 2 1 268.445 2.344 20 0 CEADMP O[C@@H](CN1CCCC1)C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000830987462 637210896 /nfs/dbraw/zinc/21/08/96/637210896.db2.gz DRBUTPUPMYKUHV-JKSUJKDBSA-N 2 1 266.429 2.098 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000830987462 637210903 /nfs/dbraw/zinc/21/09/03/637210903.db2.gz DRBUTPUPMYKUHV-JKSUJKDBSA-N 2 1 266.429 2.098 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000830987462 637210908 /nfs/dbraw/zinc/21/09/08/637210908.db2.gz DRBUTPUPMYKUHV-JKSUJKDBSA-N 2 1 266.429 2.098 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCCCC[NH3+] ZINC000831132649 637235361 /nfs/dbraw/zinc/23/53/61/637235361.db2.gz FVTISOIUQVNZNJ-OAHLLOKOSA-N 2 1 298.475 2.069 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000908250984 637275031 /nfs/dbraw/zinc/27/50/31/637275031.db2.gz SNEMGPDPWHOGAP-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908250984 637275034 /nfs/dbraw/zinc/27/50/34/637275034.db2.gz SNEMGPDPWHOGAP-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908250984 637275042 /nfs/dbraw/zinc/27/50/42/637275042.db2.gz SNEMGPDPWHOGAP-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)C1CCCC1 ZINC000841086109 637437121 /nfs/dbraw/zinc/43/71/21/637437121.db2.gz CUDNHCTZPMHCNB-RQJABVFESA-N 2 1 286.510 2.473 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000832591746 637618639 /nfs/dbraw/zinc/61/86/39/637618639.db2.gz JQYNHWJYOKDIFL-CQSZACIVSA-N 2 1 283.460 2.084 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@H](C)CC)CC2)C1 ZINC000909263053 637664628 /nfs/dbraw/zinc/66/46/28/637664628.db2.gz YGFHLDRCCCYAGL-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC000910281252 637975040 /nfs/dbraw/zinc/97/50/40/637975040.db2.gz IGHZXFDSTQWCOT-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@H+](Cc1cc2c(cc[nH]c2=O)o1)CC1CC[NH+](C)CC1 ZINC000876690589 650401933 /nfs/dbraw/zinc/40/19/33/650401933.db2.gz NTNSQRKINNWQEG-UHFFFAOYSA-N 2 1 289.379 2.307 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000911864664 638436191 /nfs/dbraw/zinc/43/61/91/638436191.db2.gz MMHRRTUISQBVTH-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000911864664 638436198 /nfs/dbraw/zinc/43/61/98/638436198.db2.gz MMHRRTUISQBVTH-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000911864664 638436200 /nfs/dbraw/zinc/43/62/00/638436200.db2.gz MMHRRTUISQBVTH-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000912718813 639000791 /nfs/dbraw/zinc/00/07/91/639000791.db2.gz BXPOTLVDOFXOOR-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000912718813 639000796 /nfs/dbraw/zinc/00/07/96/639000796.db2.gz BXPOTLVDOFXOOR-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000912718813 639000801 /nfs/dbraw/zinc/00/08/01/639000801.db2.gz BXPOTLVDOFXOOR-OAHLLOKOSA-N 2 1 297.487 2.345 20 0 CEADMP COc1cnc(F)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000876916038 650485245 /nfs/dbraw/zinc/48/52/45/650485245.db2.gz IQYYFVUENJNPAQ-LLVKDONJSA-N 2 1 292.358 2.160 20 0 CEADMP CC(C)[C@H](C(=O)OCC[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000837681911 639340977 /nfs/dbraw/zinc/34/09/77/639340977.db2.gz QLSGQHVUXBYPSH-MRXNPFEDSA-N 2 1 292.423 2.248 20 0 CEADMP CC[C@H](C)NC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157412443 639486141 /nfs/dbraw/zinc/48/61/41/639486141.db2.gz GTDAZVLECGMTPN-CQDKDKBSSA-N 2 1 275.396 2.026 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841038762 639628913 /nfs/dbraw/zinc/62/89/13/639628913.db2.gz PQTDMUQNHXTDGK-FVCCEPFGSA-N 2 1 274.499 2.329 20 0 CEADMP Cc1cc(C[NH2+]CCC[NH2+]C2CC2)cnc1Cl ZINC000841093981 639655795 /nfs/dbraw/zinc/65/57/95/639655795.db2.gz WBYWGTMJBIEFCL-UHFFFAOYSA-N 2 1 253.777 2.275 20 0 CEADMP C=C/C=C\CC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879126889 651247512 /nfs/dbraw/zinc/24/75/12/651247512.db2.gz OIELAKBDRBKTLG-WAYWQWQTSA-N 2 1 266.429 2.409 20 0 CEADMP CCCCOC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000842472658 640072514 /nfs/dbraw/zinc/07/25/14/640072514.db2.gz INDUHVZAIZFGOX-DZGCQCFKSA-N 2 1 282.428 2.182 20 0 CEADMP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCCCCCC[NH3+] ZINC000842476937 640077092 /nfs/dbraw/zinc/07/70/92/640077092.db2.gz XQSUEVNDBPORDG-KKUMJFAQSA-N 2 1 282.428 2.169 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](COC)C(C)C)C1 ZINC000929789762 640212563 /nfs/dbraw/zinc/21/25/63/640212563.db2.gz YVSAVTMECIPFHE-GJZGRUSLSA-N 2 1 256.434 2.179 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055153 640257706 /nfs/dbraw/zinc/25/77/06/640257706.db2.gz UOCYLJYAEOKUJJ-UHFFFAOYSA-N 2 1 264.417 2.474 20 0 CEADMP COCCOc1ccccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843056108 640258198 /nfs/dbraw/zinc/25/81/98/640258198.db2.gz ZKXHYKVNDKSOOV-UHFFFAOYSA-N 2 1 292.423 2.414 20 0 CEADMP C[N@@H+](CCc1ccccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000843060417 640264004 /nfs/dbraw/zinc/26/40/04/640264004.db2.gz IFADCHUZNDRDTL-OAHLLOKOSA-N 2 1 250.361 2.300 20 0 CEADMP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000843066795 640265688 /nfs/dbraw/zinc/26/56/88/640265688.db2.gz URGQCHJTONONDZ-GJZGRUSLSA-N 2 1 280.387 2.451 20 0 CEADMP CC(C)([NH3+])C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000843066795 640265697 /nfs/dbraw/zinc/26/56/97/640265697.db2.gz URGQCHJTONONDZ-GJZGRUSLSA-N 2 1 280.387 2.451 20 0 CEADMP C([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCCOC1 ZINC000843098058 640279630 /nfs/dbraw/zinc/27/96/30/640279630.db2.gz URSULRMXDTUKJC-HZPDHXFCSA-N 2 1 266.429 2.125 20 0 CEADMP C([C@@H]1CCCOC1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126022 640293168 /nfs/dbraw/zinc/29/31/68/640293168.db2.gz DVLUJUFEKRKAMM-JYJNAYRXSA-N 2 1 266.429 2.125 20 0 CEADMP C[C@@](C[NH3+])([NH2+]CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000843355809 640401405 /nfs/dbraw/zinc/40/14/05/640401405.db2.gz JVHFMBJDXJJPFN-UWVGGRQHSA-N 2 1 251.201 2.287 20 0 CEADMP C[N@@H+](CCCCCCC[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843363137 640405378 /nfs/dbraw/zinc/40/53/78/640405378.db2.gz NZOQGMVTVBVASP-YIONKMFJSA-N 3 1 253.434 2.110 20 0 CEADMP Clc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000843363886 640405410 /nfs/dbraw/zinc/40/54/10/640405410.db2.gz QOFBEYOVUWEJTH-UHFFFAOYSA-N 2 1 265.788 2.311 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NC1CCCCCCC1 ZINC000843384875 640412754 /nfs/dbraw/zinc/41/27/54/640412754.db2.gz DXWDXBSAVRMQLB-MRXNPFEDSA-N 2 1 295.471 2.419 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NC1CCCCCCC1 ZINC000843384875 640412756 /nfs/dbraw/zinc/41/27/56/640412756.db2.gz DXWDXBSAVRMQLB-MRXNPFEDSA-N 2 1 295.471 2.419 20 0 CEADMP CCCCCCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843388622 640413083 /nfs/dbraw/zinc/41/30/83/640413083.db2.gz UOHRGWFOEBCMMV-HOTGVXAUSA-N 2 1 295.471 2.004 20 0 CEADMP Cc1cc2oc(=O)cc(C[N@@H+](C)C3CC([NH3+])C3)c2cc1C ZINC000843386956 640413234 /nfs/dbraw/zinc/41/32/34/640413234.db2.gz DSJSAQXKNACOSA-UHFFFAOYSA-N 2 1 286.375 2.331 20 0 CEADMP Cc1cc2oc(=O)cc(C[N@H+](C)C3CC([NH3+])C3)c2cc1C ZINC000843386956 640413240 /nfs/dbraw/zinc/41/32/40/640413240.db2.gz DSJSAQXKNACOSA-UHFFFAOYSA-N 2 1 286.375 2.331 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843388977 640413751 /nfs/dbraw/zinc/41/37/51/640413751.db2.gz ZQHWNWZUPHLOOB-HOTGVXAUSA-N 3 1 267.461 2.217 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)C(C)C ZINC000844181164 640625730 /nfs/dbraw/zinc/62/57/30/640625730.db2.gz YKLQJWOIOIHWKN-CQSZACIVSA-N 2 1 297.830 2.186 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000844197623 640629084 /nfs/dbraw/zinc/62/90/84/640629084.db2.gz XOXQWUZPRSEDIH-KRWDZBQOSA-N 2 1 295.471 2.101 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000153766847 640640806 /nfs/dbraw/zinc/64/08/06/640640806.db2.gz MWLQNWJLXPAGQK-GFCCVEGCSA-N 2 1 285.819 2.354 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000153766847 640640810 /nfs/dbraw/zinc/64/08/10/640640810.db2.gz MWLQNWJLXPAGQK-GFCCVEGCSA-N 2 1 285.819 2.354 20 0 CEADMP CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994133944 640694677 /nfs/dbraw/zinc/69/46/77/640694677.db2.gz NQBHTRKYBOCWHM-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@](C)(O)c1ccccc1 ZINC000846044827 641163210 /nfs/dbraw/zinc/16/32/10/641163210.db2.gz QKIOAOMTPWVNOP-KDOFPFPSSA-N 2 1 288.435 2.499 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)CCCC[NH+]1CCCC1 ZINC000920763341 641198342 /nfs/dbraw/zinc/19/83/42/641198342.db2.gz SJRCNQDEYYPDMR-MRXNPFEDSA-N 2 1 295.471 2.243 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCC[NH3+])[C@@H](C)C1 ZINC000846220625 641229257 /nfs/dbraw/zinc/22/92/57/641229257.db2.gz SFDNAPIZCYKPTQ-LSDHHAIUSA-N 3 1 255.450 2.168 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCC[NH3+])[C@@H](C)C1 ZINC000846220625 641229260 /nfs/dbraw/zinc/22/92/60/641229260.db2.gz SFDNAPIZCYKPTQ-LSDHHAIUSA-N 3 1 255.450 2.168 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCC[NH3+])[C@@H](C)C1 ZINC000846220625 641229265 /nfs/dbraw/zinc/22/92/65/641229265.db2.gz SFDNAPIZCYKPTQ-LSDHHAIUSA-N 3 1 255.450 2.168 20 0 CEADMP CCN1CC[C@@H]([N@H+](C)CCCCCC[NH3+])[C@@H](C)C1 ZINC000846220625 641229271 /nfs/dbraw/zinc/22/92/71/641229271.db2.gz SFDNAPIZCYKPTQ-LSDHHAIUSA-N 2 1 255.450 2.168 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CCCCCC[NH3+])[C@@H](C)C1 ZINC000846220625 641229279 /nfs/dbraw/zinc/22/92/79/641229279.db2.gz SFDNAPIZCYKPTQ-LSDHHAIUSA-N 2 1 255.450 2.168 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000846893895 641473450 /nfs/dbraw/zinc/47/34/50/641473450.db2.gz MWDLSRXFRHYGMQ-OAHLLOKOSA-N 2 1 285.391 2.336 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000252476503 641578278 /nfs/dbraw/zinc/57/82/78/641578278.db2.gz CLGQFDLQOOSFJD-RYQLBKOJSA-N 2 1 288.435 2.445 20 0 CEADMP Cc1ccccc1[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000252476503 641578285 /nfs/dbraw/zinc/57/82/85/641578285.db2.gz CLGQFDLQOOSFJD-RYQLBKOJSA-N 2 1 288.435 2.445 20 0 CEADMP Cc1ccccc1[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000252476503 641578296 /nfs/dbraw/zinc/57/82/96/641578296.db2.gz CLGQFDLQOOSFJD-RYQLBKOJSA-N 2 1 288.435 2.445 20 0 CEADMP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252711270 641583480 /nfs/dbraw/zinc/58/34/80/641583480.db2.gz JCBMMJRHAKXKKD-COXVUDFISA-N 2 1 292.398 2.210 20 0 CEADMP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252711270 641583481 /nfs/dbraw/zinc/58/34/81/641583481.db2.gz JCBMMJRHAKXKKD-COXVUDFISA-N 2 1 292.398 2.210 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000070170594 641640314 /nfs/dbraw/zinc/64/03/14/641640314.db2.gz SZBKZWISKOITTJ-NSHDSACASA-N 2 1 292.408 2.359 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC2OCCO2)CC1 ZINC000182468223 641665480 /nfs/dbraw/zinc/66/54/80/641665480.db2.gz WVIOJZRSLGJPQA-OAHLLOKOSA-N 2 1 296.455 2.336 20 0 CEADMP C[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000925486161 641846839 /nfs/dbraw/zinc/84/68/39/641846839.db2.gz FLTRVEVNVUTCJI-JLSDUUJJSA-N 2 1 299.462 2.293 20 0 CEADMP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)N1CCc2ccccc2C1 ZINC000925486161 641846845 /nfs/dbraw/zinc/84/68/45/641846845.db2.gz FLTRVEVNVUTCJI-JLSDUUJJSA-N 2 1 299.462 2.293 20 0 CEADMP CC(C)c1ccccc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000848544339 642044280 /nfs/dbraw/zinc/04/42/80/642044280.db2.gz QDKPPLOLCIKMJC-INIZCTEOSA-N 2 1 264.413 2.212 20 0 CEADMP Cc1[nH+]ccn1CCCNC(=[NH2+])NCc1ccc(C)cc1 ZINC000848987638 642210577 /nfs/dbraw/zinc/21/05/77/642210577.db2.gz MUKOAMKFFMNARI-UHFFFAOYSA-N 2 1 285.395 2.204 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC1CCCC1 ZINC000848990892 642212091 /nfs/dbraw/zinc/21/20/91/642212091.db2.gz BBGYDQIWLNMZLU-CQSZACIVSA-N 2 1 266.433 2.165 20 0 CEADMP Cc1ccc(CNC(=[NH2+])NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000848992455 642213677 /nfs/dbraw/zinc/21/36/77/642213677.db2.gz BSAQDOLMRFZWMU-HNNXBMFYSA-N 2 1 286.423 2.093 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])NC2CCC2)C1 ZINC000848997190 642217053 /nfs/dbraw/zinc/21/70/53/642217053.db2.gz HNQKOQSBYWQSHY-LBPRGKRZSA-N 2 1 266.433 2.163 20 0 CEADMP CSC(C)(C)CC[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000877498411 650751474 /nfs/dbraw/zinc/75/14/74/650751474.db2.gz DHPPRWVETOQWEG-UHFFFAOYSA-N 2 1 287.517 2.134 20 0 CEADMP CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998200010 642373134 /nfs/dbraw/zinc/37/31/34/642373134.db2.gz SLQDSZYGKBFZBC-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998200010 642373140 /nfs/dbraw/zinc/37/31/40/642373140.db2.gz SLQDSZYGKBFZBC-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998200010 642373143 /nfs/dbraw/zinc/37/31/43/642373143.db2.gz SLQDSZYGKBFZBC-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@@H]1C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925486749 642578077 /nfs/dbraw/zinc/57/80/77/642578077.db2.gz UVJIOQMZQVGERO-SDKNFDLMSA-N 2 1 266.429 2.406 20 0 CEADMP CON(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000850480176 642727103 /nfs/dbraw/zinc/72/71/03/642727103.db2.gz MCPNIBBOFBSEJX-NVXWUHKLSA-N 2 1 291.439 2.122 20 0 CEADMP CON(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000850480176 642727109 /nfs/dbraw/zinc/72/71/09/642727109.db2.gz MCPNIBBOFBSEJX-NVXWUHKLSA-N 2 1 291.439 2.122 20 0 CEADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1cnn(CC3CCC3)c1)C2 ZINC000922027118 642847541 /nfs/dbraw/zinc/84/75/41/642847541.db2.gz ZNYDNVLVDBFMOA-HNNXBMFYSA-N 2 1 299.422 2.232 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCO[C@@H]1CCCCO1 ZINC000922233422 642972812 /nfs/dbraw/zinc/97/28/12/642972812.db2.gz QCIDZQBUYCTGIT-MRXNPFEDSA-N 2 1 293.411 2.171 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000109947187 642997775 /nfs/dbraw/zinc/99/77/75/642997775.db2.gz XPBUOYMEWWOHPB-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP COC(OC)[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000922313128 643023034 /nfs/dbraw/zinc/02/30/34/643023034.db2.gz LMOLTWZFRJMWJU-CYBMUJFWSA-N 2 1 284.444 2.381 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CC)CC1 ZINC001003941044 643030227 /nfs/dbraw/zinc/03/02/27/643030227.db2.gz SQBZKXWXRCSGNN-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCO[C@H](CNCc1cc2ccncc2s1)C[NH+](C)C ZINC000922756007 643246389 /nfs/dbraw/zinc/24/63/89/643246389.db2.gz KHMFVJVDTLIIPU-CYBMUJFWSA-N 2 1 293.436 2.353 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCCO2)CC1(C)C ZINC000922818417 643281633 /nfs/dbraw/zinc/28/16/33/643281633.db2.gz ROOKIVLSNCMRPJ-ZFWWWQNUSA-N 2 1 254.418 2.408 20 0 CEADMP [NH3+]C1CC[NH+](CCNc2ccc3ccccc3n2)CC1 ZINC000321557736 643336649 /nfs/dbraw/zinc/33/66/49/643336649.db2.gz NKAYYISQNWIPRT-UHFFFAOYSA-N 2 1 270.380 2.070 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC2(CCCC2)CC1 ZINC000852353813 643406055 /nfs/dbraw/zinc/40/60/55/643406055.db2.gz HDJDYEPPXQDZGZ-MRXNPFEDSA-N 2 1 280.456 2.489 20 0 CEADMP CC[C@H](C)C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000877663962 650839618 /nfs/dbraw/zinc/83/96/18/650839618.db2.gz DZTSWFFLNOHHIR-AWEZNQCLSA-N 2 1 256.434 2.323 20 0 CEADMP COCC[N@@H+](Cc1ncc(C)s1)CC1CC[NH+](C)CC1 ZINC000877663909 650839817 /nfs/dbraw/zinc/83/98/17/650839817.db2.gz CXIROPSQOKSHDR-UHFFFAOYSA-N 2 1 297.468 2.242 20 0 CEADMP COCC[N@H+](Cc1ncc(C)s1)CC1CC[NH+](C)CC1 ZINC000877663909 650839821 /nfs/dbraw/zinc/83/98/21/650839821.db2.gz CXIROPSQOKSHDR-UHFFFAOYSA-N 2 1 297.468 2.242 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852753849 643537389 /nfs/dbraw/zinc/53/73/89/643537389.db2.gz JLXXMXYSFLDXRC-INIZCTEOSA-N 3 1 267.461 2.217 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000852760673 643540919 /nfs/dbraw/zinc/54/09/19/643540919.db2.gz LJZUFORUYXGFFU-OAHLLOKOSA-N 2 1 254.418 2.398 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923282647 643638732 /nfs/dbraw/zinc/63/87/32/643638732.db2.gz XRQUDCHGZIYCFF-NOZJJQNGSA-N 2 1 289.206 2.307 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923282647 643638734 /nfs/dbraw/zinc/63/87/34/643638734.db2.gz XRQUDCHGZIYCFF-NOZJJQNGSA-N 2 1 289.206 2.307 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000923289651 643643000 /nfs/dbraw/zinc/64/30/00/643643000.db2.gz RISCKYAHBCZGAV-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923289651 643643003 /nfs/dbraw/zinc/64/30/03/643643003.db2.gz RISCKYAHBCZGAV-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000923289651 643643006 /nfs/dbraw/zinc/64/30/06/643643006.db2.gz RISCKYAHBCZGAV-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1cccc(OC[C@@H](O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000923299020 643644396 /nfs/dbraw/zinc/64/43/96/643644396.db2.gz WHOSEEWOFWURFU-DOTOQJQBSA-N 2 1 294.439 2.040 20 0 CEADMP Fc1ccc(C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C2CC2)cc1 ZINC000923302476 643650924 /nfs/dbraw/zinc/65/09/24/643650924.db2.gz STGFRBLIUCBIMZ-INIZCTEOSA-N 2 1 290.382 2.169 20 0 CEADMP CC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)c1cccc(O)c1 ZINC000923306227 643651602 /nfs/dbraw/zinc/65/16/02/643651602.db2.gz IJNKYXTWWMTGDM-XJKSGUPXSA-N 2 1 290.407 2.154 20 0 CEADMP Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923315120 643655229 /nfs/dbraw/zinc/65/52/29/643655229.db2.gz FSSFTDHEZSXNNX-NVXWUHKLSA-N 2 1 288.435 2.236 20 0 CEADMP CCc1onc(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000923332269 643664341 /nfs/dbraw/zinc/66/43/41/643664341.db2.gz KRFQFHMUJGGVGG-UBHSHLNASA-N 2 1 263.385 2.105 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923333100 643665992 /nfs/dbraw/zinc/66/59/92/643665992.db2.gz UBNNNCUXMWBCTO-KYNGSXCRSA-N 2 1 298.430 2.412 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3F)C[C@@H]21 ZINC000923334572 643667052 /nfs/dbraw/zinc/66/70/52/643667052.db2.gz WOHYMWIUPNVMEB-SUZRMVIJSA-N 2 1 296.361 2.057 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)CC(F)(F)F ZINC000923357901 643677043 /nfs/dbraw/zinc/67/70/43/643677043.db2.gz AMJQFLQLQZELRA-UPJWGTAASA-N 2 1 294.361 2.011 20 0 CEADMP O[C@H](CCc1ccccc1)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923356525 643678388 /nfs/dbraw/zinc/67/83/88/643678388.db2.gz SKMVMKFKQXNQOB-QZTJIDSGSA-N 2 1 288.435 2.056 20 0 CEADMP CCc1ncc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)o1 ZINC000923364539 643679511 /nfs/dbraw/zinc/67/95/11/643679511.db2.gz NRVZJXIVJMJVMT-GXTWGEPZSA-N 2 1 263.385 2.201 20 0 CEADMP CCc1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)o1 ZINC000923364539 643679515 /nfs/dbraw/zinc/67/95/15/643679515.db2.gz NRVZJXIVJMJVMT-GXTWGEPZSA-N 2 1 263.385 2.201 20 0 CEADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923368798 643681816 /nfs/dbraw/zinc/68/18/16/643681816.db2.gz TVUCSCBPOQJFLM-GJZGRUSLSA-N 2 1 294.439 2.006 20 0 CEADMP C[NH+](C)Cc1cnc(CN2CC[N@H+](C)C(C)(C)CC2)s1 ZINC000877701785 650858889 /nfs/dbraw/zinc/85/88/89/650858889.db2.gz YTOOMFQBWPMUNV-UHFFFAOYSA-N 2 1 296.484 2.121 20 0 CEADMP C[NH+](C)Cc1cnc(CN2CC[N@@H+](C)C(C)(C)CC2)s1 ZINC000877701785 650858891 /nfs/dbraw/zinc/85/88/91/650858891.db2.gz YTOOMFQBWPMUNV-UHFFFAOYSA-N 2 1 296.484 2.121 20 0 CEADMP CC(C)OCC[C@@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000923390529 643690608 /nfs/dbraw/zinc/69/06/08/643690608.db2.gz SWPAFLCMZSKLRL-BZUAXINKSA-N 2 1 286.460 2.002 20 0 CEADMP CCn1cc(C[N@H+](CCC[NH2+]C2CC2)C(C)C)cn1 ZINC000923385515 643691294 /nfs/dbraw/zinc/69/12/94/643691294.db2.gz CLWMKYVMFXGHDW-UHFFFAOYSA-N 2 1 264.417 2.256 20 0 CEADMP CCn1cc(C[N@@H+](CCC[NH2+]C2CC2)C(C)C)cn1 ZINC000923385515 643691297 /nfs/dbraw/zinc/69/12/97/643691297.db2.gz CLWMKYVMFXGHDW-UHFFFAOYSA-N 2 1 264.417 2.256 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000923388754 643694000 /nfs/dbraw/zinc/69/40/00/643694000.db2.gz RCUOONWZCFJUAZ-YVSFHVDLSA-N 2 1 298.471 2.002 20 0 CEADMP c1ccc(O[C@@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)cc1 ZINC000923396425 643695442 /nfs/dbraw/zinc/69/54/42/643695442.db2.gz YOUYHYZTZFPTJU-MRXNPFEDSA-N 2 1 260.381 2.282 20 0 CEADMP c1ccc(O[C@@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)cc1 ZINC000923396425 643695446 /nfs/dbraw/zinc/69/54/46/643695446.db2.gz YOUYHYZTZFPTJU-MRXNPFEDSA-N 2 1 260.381 2.282 20 0 CEADMP C(C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923428721 643707096 /nfs/dbraw/zinc/70/70/96/643707096.db2.gz QNZCRWBBXYMJQV-HZAFXNSLSA-N 2 1 278.440 2.408 20 0 CEADMP CC(C)(C)c1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)co1 ZINC000923478481 643727821 /nfs/dbraw/zinc/72/78/21/643727821.db2.gz CMGPWMCMLSICSI-NSHDSACASA-N 2 1 251.374 2.143 20 0 CEADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487703 643731275 /nfs/dbraw/zinc/73/12/75/643731275.db2.gz GYRCPGBNLPDZTN-NEPJUHHUSA-N 2 1 286.379 2.067 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000923478671 643731323 /nfs/dbraw/zinc/73/13/23/643731323.db2.gz GCGMKKZZSVQXMI-HZMBPMFUSA-N 2 1 286.778 2.183 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000923485215 643732641 /nfs/dbraw/zinc/73/26/41/643732641.db2.gz QPHSMSNTBGFXSV-GJZGRUSLSA-N 2 1 289.423 2.301 20 0 CEADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)c1C ZINC000923485548 643732688 /nfs/dbraw/zinc/73/26/88/643732688.db2.gz VNDUHVCXSCWAGT-HUUCEWRRSA-N 2 1 289.423 2.301 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923483950 643732849 /nfs/dbraw/zinc/73/28/49/643732849.db2.gz UDCAWFPLSXHLSA-HNNXBMFYSA-N 2 1 262.397 2.353 20 0 CEADMP COCc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923495485 643734311 /nfs/dbraw/zinc/73/43/11/643734311.db2.gz WFZZVJOKAJHBLF-CZUORRHYSA-N 2 1 262.397 2.250 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccnc2Cl)CC[C@H]1C[NH3+] ZINC000923496439 643734541 /nfs/dbraw/zinc/73/45/41/643734541.db2.gz AAMUUGKOQSZKCY-MNOVXSKESA-N 2 1 253.777 2.152 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)cc1F ZINC000923488141 643735137 /nfs/dbraw/zinc/73/51/37/643735137.db2.gz QFZZVBYTUBOBAG-QWHCGFSZSA-N 2 1 293.386 2.132 20 0 CEADMP COc1c(C)cnc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1C ZINC000923502865 643739095 /nfs/dbraw/zinc/73/90/95/643739095.db2.gz ZMSSJRMFGCMTQA-TZMCWYRMSA-N 2 1 277.412 2.124 20 0 CEADMP COc1ccc(COCC[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923497286 643739210 /nfs/dbraw/zinc/73/92/10/643739210.db2.gz KVXBYCCEUSBXSC-ZBFHGGJFSA-N 2 1 292.423 2.129 20 0 CEADMP CC(C)CCc1noc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923499307 643740867 /nfs/dbraw/zinc/74/08/67/643740867.db2.gz SBJHNBCIQHPWNG-QWHCGFSZSA-N 2 1 280.416 2.075 20 0 CEADMP CC(C)CCc1noc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000923499307 643740872 /nfs/dbraw/zinc/74/08/72/643740872.db2.gz SBJHNBCIQHPWNG-QWHCGFSZSA-N 2 1 280.416 2.075 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520354 643748224 /nfs/dbraw/zinc/74/82/24/643748224.db2.gz WLJDDCLTSRKKHJ-QXSJWSMHSA-N 2 1 266.429 2.123 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@]3(C2)CCCC[NH2+]3)c1C ZINC000923536324 643754777 /nfs/dbraw/zinc/75/47/77/643754777.db2.gz OSRPTTCJURSADP-KRWDZBQOSA-N 2 1 289.423 2.425 20 0 CEADMP C(C[N@H+]1CCC[C@H](C2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000923548926 643756910 /nfs/dbraw/zinc/75/69/10/643756910.db2.gz CIJGCBJIIFWNOG-HOCLYGCPSA-N 2 1 266.429 2.125 20 0 CEADMP C([C@H]1CCC[NH2+]C1)[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923549043 643757456 /nfs/dbraw/zinc/75/74/56/643757456.db2.gz FCFYHUCVFQBUAI-GOEBONIOSA-N 2 1 266.429 2.125 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC3(Cl)Cl)CC[C@@H]21 ZINC000877740412 650882392 /nfs/dbraw/zinc/88/23/92/650882392.db2.gz RNACOKZEFWLWTM-VWYCJHECSA-N 2 1 263.212 2.206 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC3(Cl)Cl)CC[C@@H]21 ZINC000877740412 650882396 /nfs/dbraw/zinc/88/23/96/650882396.db2.gz RNACOKZEFWLWTM-VWYCJHECSA-N 2 1 263.212 2.206 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CC3(Cl)Cl)CC[C@@H]21 ZINC000877740412 650882399 /nfs/dbraw/zinc/88/23/99/650882399.db2.gz RNACOKZEFWLWTM-VWYCJHECSA-N 2 1 263.212 2.206 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CC3(Cl)Cl)CC[C@@H]21 ZINC000877740412 650882401 /nfs/dbraw/zinc/88/24/01/650882401.db2.gz RNACOKZEFWLWTM-VWYCJHECSA-N 2 1 263.212 2.206 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000854655383 644119337 /nfs/dbraw/zinc/11/93/37/644119337.db2.gz PSTOIUJSJZPPFG-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000886612027 644264090 /nfs/dbraw/zinc/26/40/90/644264090.db2.gz AACPEPPXCSGICY-HZSPNIEDSA-N 2 1 270.417 2.038 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000886612027 644264093 /nfs/dbraw/zinc/26/40/93/644264093.db2.gz AACPEPPXCSGICY-HZSPNIEDSA-N 2 1 270.417 2.038 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC000855165927 644264304 /nfs/dbraw/zinc/26/43/04/644264304.db2.gz AOBACALGGXKENH-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H](NCC[NH+]1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754465124 644376167 /nfs/dbraw/zinc/37/61/67/644376167.db2.gz SCSICXDKETZFFP-JKSUJKDBSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H]([NH2+]CCN1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754465124 644376178 /nfs/dbraw/zinc/37/61/78/644376178.db2.gz SCSICXDKETZFFP-JKSUJKDBSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H]([NH2+]CCN1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754465124 644376181 /nfs/dbraw/zinc/37/61/81/644376181.db2.gz SCSICXDKETZFFP-JKSUJKDBSA-N 2 1 279.472 2.325 20 0 CEADMP COc1c(C)cc(C[NH2+]CCc2c[nH+]cn2C)cc1C ZINC000857783028 644967782 /nfs/dbraw/zinc/96/77/82/644967782.db2.gz PSCPSJCIVYBQFG-UHFFFAOYSA-N 2 1 273.380 2.378 20 0 CEADMP OCc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000858317081 645115709 /nfs/dbraw/zinc/11/57/09/645115709.db2.gz HAHQUQRVIJZIOR-INIZCTEOSA-N 2 1 283.375 2.260 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000878166960 651022546 /nfs/dbraw/zinc/02/25/46/651022546.db2.gz KOJMDUDUTKUCLP-HUUCEWRRSA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000878166960 651022549 /nfs/dbraw/zinc/02/25/49/651022549.db2.gz KOJMDUDUTKUCLP-HUUCEWRRSA-N 2 1 266.429 2.219 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000878166960 651022551 /nfs/dbraw/zinc/02/25/51/651022551.db2.gz KOJMDUDUTKUCLP-HUUCEWRRSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC[C@H]21 ZINC000878197502 651033545 /nfs/dbraw/zinc/03/35/45/651033545.db2.gz NHLKWFYOGDUBOT-NNXHMXCWSA-N 2 1 278.440 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC[C@H]21 ZINC000878197502 651033549 /nfs/dbraw/zinc/03/35/49/651033549.db2.gz NHLKWFYOGDUBOT-NNXHMXCWSA-N 2 1 278.440 2.360 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC[C@H]21 ZINC000878197502 651033554 /nfs/dbraw/zinc/03/35/54/651033554.db2.gz NHLKWFYOGDUBOT-NNXHMXCWSA-N 2 1 278.440 2.360 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000765758341 645805256 /nfs/dbraw/zinc/80/52/56/645805256.db2.gz JLEUOCNVHPJSPS-VNHYZAJKSA-N 2 1 265.401 2.232 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1(C)CC1 ZINC000765975821 645829497 /nfs/dbraw/zinc/82/94/97/645829497.db2.gz LDDBNZRPCCTMRO-DZGCQCFKSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@](C)([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000809971883 646061928 /nfs/dbraw/zinc/06/19/28/646061928.db2.gz NFWYAPUZSBPCGM-SJORKVTESA-N 2 1 276.424 2.357 20 0 CEADMP CC[C@](C)([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000809971883 646061931 /nfs/dbraw/zinc/06/19/31/646061931.db2.gz NFWYAPUZSBPCGM-SJORKVTESA-N 2 1 276.424 2.357 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)COC2)C[C@@H]1CCC[NH+](C)C1 ZINC000768547542 646138264 /nfs/dbraw/zinc/13/82/64/646138264.db2.gz SDMQHUPCNOGCMM-OAHLLOKOSA-N 2 1 274.408 2.490 20 0 CEADMP C[NH+](Cc1ccc2c(c1)COC2)C[C@@H]1CCC[N@H+](C)C1 ZINC000768547542 646138268 /nfs/dbraw/zinc/13/82/68/646138268.db2.gz SDMQHUPCNOGCMM-OAHLLOKOSA-N 2 1 274.408 2.490 20 0 CEADMP C[NH+](Cc1ccc2c(c1)COC2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000768547542 646138271 /nfs/dbraw/zinc/13/82/71/646138271.db2.gz SDMQHUPCNOGCMM-OAHLLOKOSA-N 2 1 274.408 2.490 20 0 CEADMP CC(=O)N(C)c1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000863543419 646751874 /nfs/dbraw/zinc/75/18/74/646751874.db2.gz OHSJAPSHXPZCJR-SJORKVTESA-N 2 1 289.423 2.419 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000863642099 646775559 /nfs/dbraw/zinc/77/55/59/646775559.db2.gz QANFDPHZUITYQY-CYBMUJFWSA-N 2 1 258.365 2.133 20 0 CEADMP C[C@H]([NH3+])CN(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000863653120 646777910 /nfs/dbraw/zinc/77/79/10/646777910.db2.gz CHAYMXJZTQNSHY-HNNXBMFYSA-N 2 1 277.456 2.424 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000863983162 646865498 /nfs/dbraw/zinc/86/54/98/646865498.db2.gz DCOUPDYTTJATPH-GFCCVEGCSA-N 2 1 297.443 2.116 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000864054938 646874562 /nfs/dbraw/zinc/87/45/62/646874562.db2.gz DXAKANCCOCBNML-GJZGRUSLSA-N 2 1 273.380 2.005 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000864067091 646881856 /nfs/dbraw/zinc/88/18/56/646881856.db2.gz FVUWDCSCFPAAPH-UONOGXRCSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H]([NH2+][C@@H](CO)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775523288 646962710 /nfs/dbraw/zinc/96/27/10/646962710.db2.gz HKWROLYMQLCJLJ-WBAXXEDZSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=[NH2+])NCCC2CC2)C1 ZINC000864451723 647007399 /nfs/dbraw/zinc/00/73/99/647007399.db2.gz JHDHXCMPKFABMS-CQSZACIVSA-N 2 1 280.460 2.413 20 0 CEADMP C[C@H](CNC(=[NH2+])NCCC1CC1)[N@H+]1CCCC[C@H]1C ZINC000864454248 647009799 /nfs/dbraw/zinc/00/97/99/647009799.db2.gz VFVJEISKJYFAGK-CHWSQXEVSA-N 2 1 266.433 2.163 20 0 CEADMP Cc1ccc([C@H](CNC(=[NH2+])N[C@H]2C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000864457119 647012332 /nfs/dbraw/zinc/01/23/32/647012332.db2.gz PBTFSQPEYOBTDR-UBHSHLNASA-N 2 1 290.411 2.247 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000776138911 647026809 /nfs/dbraw/zinc/02/68/09/647026809.db2.gz RFHMKDYHNXVSDG-UHFFFAOYSA-N 2 1 295.390 2.382 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000776167264 647030030 /nfs/dbraw/zinc/03/00/30/647030030.db2.gz LHGDJUANIAHDLS-MGPQQGTHSA-N 2 1 284.494 2.218 20 0 CEADMP CC(C)[N@H+]1CC[C@H](Nc2ccncc2C(F)(F)F)C1 ZINC000865470477 647310065 /nfs/dbraw/zinc/31/00/65/647310065.db2.gz BXOGGHQGCGUCQI-JTQLQIEISA-N 2 1 273.302 2.417 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865470477 647310067 /nfs/dbraw/zinc/31/00/67/647310067.db2.gz BXOGGHQGCGUCQI-JTQLQIEISA-N 2 1 273.302 2.417 20 0 CEADMP CC(C)[N@H+]1CC[C@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865470477 647310070 /nfs/dbraw/zinc/31/00/70/647310070.db2.gz BXOGGHQGCGUCQI-JTQLQIEISA-N 2 1 273.302 2.417 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(CC3CCC3)c2)C1 ZINC000865528529 647342022 /nfs/dbraw/zinc/34/20/22/647342022.db2.gz JSGGTRMBUSGMJL-SFHVURJKSA-N 2 1 288.435 2.185 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(CC3CCC3)c2)C1 ZINC000865528529 647342026 /nfs/dbraw/zinc/34/20/26/647342026.db2.gz JSGGTRMBUSGMJL-SFHVURJKSA-N 2 1 288.435 2.185 20 0 CEADMP CS[C@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000865734310 647444676 /nfs/dbraw/zinc/44/46/76/647444676.db2.gz SBOYQRAEKKDOPS-HAQNSBGRSA-N 2 1 251.399 2.131 20 0 CEADMP C[NH+]1CCC(NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000865804870 647469582 /nfs/dbraw/zinc/46/95/82/647469582.db2.gz KAMJUOHJDCLIQQ-KRWDZBQOSA-N 2 1 279.472 2.467 20 0 CEADMP C[NH+]1CCC2(CCN(c3[nH+]cnc4[nH]ccc43)CC2)CC1 ZINC000866055319 647590085 /nfs/dbraw/zinc/59/00/85/647590085.db2.gz SJAJNYLAASDMDY-UHFFFAOYSA-N 2 1 285.395 2.270 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)C1 ZINC000866239594 647688005 /nfs/dbraw/zinc/68/80/05/647688005.db2.gz YIWTWWSEDWGEKG-BMFZPTHFSA-N 2 1 266.429 2.266 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866243214 647690333 /nfs/dbraw/zinc/69/03/33/647690333.db2.gz WNXZRVVLKYEXHJ-SJORKVTESA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000866263166 647702831 /nfs/dbraw/zinc/70/28/31/647702831.db2.gz NNKNHFOJDAVGCN-GOEBONIOSA-N 2 1 261.413 2.334 20 0 CEADMP C[C@H](CCO)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000866414029 647778654 /nfs/dbraw/zinc/77/86/54/647778654.db2.gz ZLLGDBJIRVYNMY-INMHGKMJSA-N 2 1 276.424 2.115 20 0 CEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866697100 647872510 /nfs/dbraw/zinc/87/25/10/647872510.db2.gz FTUPLSWTTVZHHU-DZGCQCFKSA-N 2 1 252.402 2.020 20 0 CEADMP C[NH2+]CCC[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000866704107 647875389 /nfs/dbraw/zinc/87/53/89/647875389.db2.gz QDDIQVCJBNEHSA-UHFFFAOYSA-N 2 1 278.400 2.126 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000866706305 647877046 /nfs/dbraw/zinc/87/70/46/647877046.db2.gz HHCGHTSMXFXQRC-HIFRSBDPSA-N 2 1 254.418 2.252 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1)C1CCC1 ZINC000866708664 647878312 /nfs/dbraw/zinc/87/83/12/647878312.db2.gz SQTDHQKTXDQEND-GDBMZVCRSA-N 2 1 268.445 2.498 20 0 CEADMP COc1c(C)c[nH+]c(CN2CCC[C@H]3[NH2+]CC[C@@H]32)c1C ZINC000866725913 647884553 /nfs/dbraw/zinc/88/45/53/647884553.db2.gz RESHYUWRWWQNIK-HIFRSBDPSA-N 2 1 275.396 2.033 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2(C)CC2)cn1 ZINC000785423813 647927581 /nfs/dbraw/zinc/92/75/81/647927581.db2.gz PVQPBLWXMTXSDO-UHFFFAOYSA-N 2 1 256.353 2.465 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000787767936 648137841 /nfs/dbraw/zinc/13/78/41/648137841.db2.gz WLHXEWWDFLEBTL-GFCCVEGCSA-N 2 1 276.771 2.288 20 0 CEADMP CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000788470616 648192201 /nfs/dbraw/zinc/19/22/01/648192201.db2.gz VPRHNRODUUFWGQ-IRXDYDNUSA-N 2 1 276.424 2.259 20 0 CEADMP CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000788470616 648192204 /nfs/dbraw/zinc/19/22/04/648192204.db2.gz VPRHNRODUUFWGQ-IRXDYDNUSA-N 2 1 276.424 2.259 20 0 CEADMP C[C@]1(C2CCCCC2)CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000871991832 649239137 /nfs/dbraw/zinc/23/91/37/649239137.db2.gz LIUMUQKIEDEEGV-IAGOWNOFSA-N 2 1 280.456 2.488 20 0 CEADMP C[C@]1(C2CCCCC2)CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000871991832 649239140 /nfs/dbraw/zinc/23/91/40/649239140.db2.gz LIUMUQKIEDEEGV-IAGOWNOFSA-N 2 1 280.456 2.488 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CCCOC1 ZINC000872035800 649249448 /nfs/dbraw/zinc/24/94/48/649249448.db2.gz NLHCCDMREPCSLG-BBWFWOEESA-N 2 1 298.471 2.018 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)[C@@H]2CCC[C@H]21 ZINC000872105086 649278635 /nfs/dbraw/zinc/27/86/35/649278635.db2.gz AHOHTPPABIKDQQ-ZQDZILKHSA-N 2 1 266.429 2.264 20 0 CEADMP CC1(C)CO[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000872106208 649279619 /nfs/dbraw/zinc/27/96/19/649279619.db2.gz PETGUYOCOHYOMI-JKSUJKDBSA-N 2 1 296.455 2.035 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)[C@@H](C)C1 ZINC000872122106 649283702 /nfs/dbraw/zinc/28/37/02/649283702.db2.gz BQSCQCFEFAWURC-AAEUAGOBSA-N 2 1 289.379 2.353 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)[C@@H](C)C1 ZINC000872122106 649283707 /nfs/dbraw/zinc/28/37/07/649283707.db2.gz BQSCQCFEFAWURC-AAEUAGOBSA-N 2 1 289.379 2.353 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000872141241 649290893 /nfs/dbraw/zinc/29/08/93/649290893.db2.gz AGQUSGBBMLDNFO-NSHDSACASA-N 2 1 263.385 2.113 20 0 CEADMP C([C@H]1CC2(CCC2)CO1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000872142770 649291975 /nfs/dbraw/zinc/29/19/75/649291975.db2.gz CPBKPUWNPHKVST-OAGGEKHMSA-N 2 1 278.440 2.410 20 0 CEADMP C([C@@H]1CC2(CCC2)CO1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000872142675 649292432 /nfs/dbraw/zinc/29/24/32/649292432.db2.gz CHDWYHWHMPCSDO-GOEBONIOSA-N 2 1 264.413 2.021 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])ccc1C ZINC000872143862 649293700 /nfs/dbraw/zinc/29/37/00/649293700.db2.gz YUINQAFOAZDPQF-OAHLLOKOSA-N 2 1 290.407 2.485 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000872144840 649294682 /nfs/dbraw/zinc/29/46/82/649294682.db2.gz KFHVUTRZPORFKH-FZKCQIBNSA-N 2 1 296.455 2.020 20 0 CEADMP C([C@@H]1CC2(CCC2)CO1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000872144586 649294939 /nfs/dbraw/zinc/29/49/39/649294939.db2.gz ZYNLRPRXQGPIPJ-AWEZNQCLSA-N 2 1 264.413 2.021 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1C ZINC000872144814 649294951 /nfs/dbraw/zinc/29/49/51/649294951.db2.gz JASSJHYKTNVUFQ-TZMCWYRMSA-N 2 1 276.380 2.093 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1C ZINC000872144814 649294954 /nfs/dbraw/zinc/29/49/54/649294954.db2.gz JASSJHYKTNVUFQ-TZMCWYRMSA-N 2 1 276.380 2.093 20 0 CEADMP Cc1csc([C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000872148178 649296134 /nfs/dbraw/zinc/29/61/34/649296134.db2.gz NZFVQZPKCGMPAI-OLZOCXBDSA-N 2 1 265.426 2.240 20 0 CEADMP COC(=O)CC[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000872153391 649297877 /nfs/dbraw/zinc/29/78/77/649297877.db2.gz AFILSDLFNSFLGL-INIZCTEOSA-N 2 1 296.455 2.431 20 0 CEADMP C[C@H]1CCCC[C@@H]1OCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154341 649298567 /nfs/dbraw/zinc/29/85/67/649298567.db2.gz XNPOKWWVPHFXQU-YHUYYLMFSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H]1CCCC[C@@H]1OCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154341 649298569 /nfs/dbraw/zinc/29/85/69/649298569.db2.gz XNPOKWWVPHFXQU-YHUYYLMFSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208989 649589598 /nfs/dbraw/zinc/58/95/98/649589598.db2.gz GRBKCIDVPLAUQV-XUJVJEKNSA-N 2 1 294.464 2.375 20 0 CEADMP NC[C@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)C1CCCC1 ZINC000873211517 649591546 /nfs/dbraw/zinc/59/15/46/649591546.db2.gz AXLWZQNORVHUNA-AWEZNQCLSA-N 2 1 279.453 2.001 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000873223651 649597673 /nfs/dbraw/zinc/59/76/73/649597673.db2.gz QKRHNZYEECKDAV-MRXNPFEDSA-N 2 1 278.444 2.234 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC2=CCCOC2)C1 ZINC000873223771 649598006 /nfs/dbraw/zinc/59/80/06/649598006.db2.gz RYAYUBKJNWXZFA-OAHLLOKOSA-N 2 1 252.402 2.030 20 0 CEADMP C[C@H](C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccc(F)cc1 ZINC000873229182 649600421 /nfs/dbraw/zinc/60/04/21/649600421.db2.gz OOSABDWEXYBOIO-IVMMDQJWSA-N 2 1 262.372 2.471 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc3cnccc3c1)C2 ZINC000873229440 649600664 /nfs/dbraw/zinc/60/06/64/649600664.db2.gz YVBDRLCMONJIBT-DLBZAZTESA-N 2 1 267.376 2.276 20 0 CEADMP CC1(C)CC[C@@H](C[NH2+]C2CCC3(CC2)OCCO3)[NH2+]C1 ZINC000873237093 649604885 /nfs/dbraw/zinc/60/48/85/649604885.db2.gz MJPRBTXRZLCJGA-AWEZNQCLSA-N 2 1 282.428 2.040 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1noc2ccc(F)cc12 ZINC000873249459 649608498 /nfs/dbraw/zinc/60/84/98/649608498.db2.gz NJXAWAKBRMOTGL-ZWNOBZJWSA-N 2 1 277.343 2.445 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)[C@@H]1CCC[NH2+]1 ZINC000873281706 649624167 /nfs/dbraw/zinc/62/41/67/649624167.db2.gz PCXOHHOFVHRWQX-CAEXGNQWSA-N 2 1 252.402 2.064 20 0 CEADMP COCC[N@@H+](CC1CC=CC1)CC1CC[NH+](C)CC1 ZINC000879127300 651246447 /nfs/dbraw/zinc/24/64/47/651246447.db2.gz VEXIBFAUQYVMIR-UHFFFAOYSA-N 2 1 266.429 2.243 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879406102 651298361 /nfs/dbraw/zinc/29/83/61/651298361.db2.gz FVDCDZVDPDAHCR-CYBMUJFWSA-N 2 1 251.374 2.129 20 0 CEADMP Cc1cccc(OCC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000879572986 651324632 /nfs/dbraw/zinc/32/46/32/651324632.db2.gz SYGSXSUZMPUHFU-DOTOQJQBSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1cccc(OCC[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000879572986 651324633 /nfs/dbraw/zinc/32/46/33/651324633.db2.gz SYGSXSUZMPUHFU-DOTOQJQBSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879572986 651324634 /nfs/dbraw/zinc/32/46/34/651324634.db2.gz SYGSXSUZMPUHFU-DOTOQJQBSA-N 2 1 274.408 2.400 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879572986 651324635 /nfs/dbraw/zinc/32/46/35/651324635.db2.gz SYGSXSUZMPUHFU-DOTOQJQBSA-N 2 1 274.408 2.400 20 0 CEADMP CC(=O)Oc1ccc(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000879576910 651325212 /nfs/dbraw/zinc/32/52/12/651325212.db2.gz FDVMHWQAHJOAFO-RDJZCZTQSA-N 2 1 288.391 2.138 20 0 CEADMP CC(=O)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000879576910 651325214 /nfs/dbraw/zinc/32/52/14/651325214.db2.gz FDVMHWQAHJOAFO-RDJZCZTQSA-N 2 1 288.391 2.138 20 0 CEADMP CC(=O)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000879576910 651325216 /nfs/dbraw/zinc/32/52/16/651325216.db2.gz FDVMHWQAHJOAFO-RDJZCZTQSA-N 2 1 288.391 2.138 20 0 CEADMP CC(=O)Oc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879576910 651325217 /nfs/dbraw/zinc/32/52/17/651325217.db2.gz FDVMHWQAHJOAFO-RDJZCZTQSA-N 2 1 288.391 2.138 20 0 CEADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879576910 651325220 /nfs/dbraw/zinc/32/52/20/651325220.db2.gz FDVMHWQAHJOAFO-RDJZCZTQSA-N 2 1 288.391 2.138 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](CCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879582232 651327100 /nfs/dbraw/zinc/32/71/00/651327100.db2.gz QVVCIGHMWWOORD-KBPBESRZSA-N 2 1 282.428 2.134 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879582232 651327102 /nfs/dbraw/zinc/32/71/02/651327102.db2.gz QVVCIGHMWWOORD-KBPBESRZSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879582232 651327104 /nfs/dbraw/zinc/32/71/04/651327104.db2.gz QVVCIGHMWWOORD-KBPBESRZSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000879582232 651327106 /nfs/dbraw/zinc/32/71/06/651327106.db2.gz QVVCIGHMWWOORD-KBPBESRZSA-N 2 1 282.428 2.134 20 0 CEADMP CSC[C@H](O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879704824 651341887 /nfs/dbraw/zinc/34/18/87/651341887.db2.gz UXCFVQFRABTYSL-OAHLLOKOSA-N 2 1 288.501 2.010 20 0 CEADMP Cc1csc([C@@H]2CC[N@H+](CCn3cc[nH+]c3C)C2)n1 ZINC000880010468 651373868 /nfs/dbraw/zinc/37/38/68/651373868.db2.gz ZXOOCAOACRXNOB-CYBMUJFWSA-N 2 1 276.409 2.446 20 0 CEADMP Cc1csc([C@@H]2CC[N@@H+](CCn3cc[nH+]c3C)C2)n1 ZINC000880010468 651373869 /nfs/dbraw/zinc/37/38/69/651373869.db2.gz ZXOOCAOACRXNOB-CYBMUJFWSA-N 2 1 276.409 2.446 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000880259467 651411552 /nfs/dbraw/zinc/41/15/52/651411552.db2.gz UFKUCHAQFVAEOA-FMKPAKJESA-N 2 1 275.396 2.017 20 0 CEADMP CO[C@@H](C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)C1CC1 ZINC000880259690 651411631 /nfs/dbraw/zinc/41/16/31/651411631.db2.gz ZFBUDRXRMCAXFN-CJNGLKHVSA-N 2 1 275.396 2.017 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[C@@H]2CCOC2)CCN1c1cc[nH+]cc1 ZINC000880259299 651411827 /nfs/dbraw/zinc/41/18/27/651411827.db2.gz PJQUAUWZACQMFX-HZPDHXFCSA-N 2 1 289.423 2.409 20 0 CEADMP C[C@@H]1C[C@H]([N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CCO1 ZINC000880259611 651411846 /nfs/dbraw/zinc/41/18/46/651411846.db2.gz XBTIJUITHYJFAV-SQWLQELKSA-N 2 1 275.396 2.160 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260086 651412339 /nfs/dbraw/zinc/41/23/39/651412339.db2.gz NCXXBGODTXDROM-RDJZCZTQSA-N 2 1 291.439 2.389 20 0 CEADMP CCCCOC(=O)CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880470769 651446565 /nfs/dbraw/zinc/44/65/65/651446565.db2.gz MOVYZHGTMIWNIB-UHFFFAOYSA-N 2 1 282.428 2.280 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc2c1CCOC2 ZINC000882905110 652263284 /nfs/dbraw/zinc/26/32/84/652263284.db2.gz UEQJKDTUEJGJFW-UHFFFAOYSA-N 2 1 285.391 2.444 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000882941369 652280102 /nfs/dbraw/zinc/28/01/02/652280102.db2.gz PIXBDRMTTKBXBM-CYBMUJFWSA-N 2 1 290.363 2.206 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000882941369 652280108 /nfs/dbraw/zinc/28/01/08/652280108.db2.gz PIXBDRMTTKBXBM-CYBMUJFWSA-N 2 1 290.363 2.206 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000883028409 652332248 /nfs/dbraw/zinc/33/22/48/652332248.db2.gz KAMDJGQMHSEHTQ-CHWSQXEVSA-N 2 1 290.363 2.348 20 0 CEADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000130933174 652358122 /nfs/dbraw/zinc/35/81/22/652358122.db2.gz WYMPJKXUMFKNRR-CHWSQXEVSA-N 2 1 278.396 2.354 20 0 CEADMP CC(C)c1c[nH]c(C[NH2+]CCCC[N@@H+](C)C2CC2)n1 ZINC000883139923 652376882 /nfs/dbraw/zinc/37/68/82/652376882.db2.gz DKEFXQYIBBYSRM-UHFFFAOYSA-N 2 1 264.417 2.497 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccns2)[C@@H](C)C1 ZINC000883249104 652414592 /nfs/dbraw/zinc/41/45/92/652414592.db2.gz SWOMOIWCIAZCIM-AAEUAGOBSA-N 2 1 253.415 2.006 20 0 CEADMP CC1(C)C[C@]1(C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000883259881 652417140 /nfs/dbraw/zinc/41/71/40/652417140.db2.gz BZZNIPYMENWGQW-GOEBONIOSA-N 2 1 266.429 2.266 20 0 CEADMP C=C/C=C/CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000883268150 652418606 /nfs/dbraw/zinc/41/86/06/652418606.db2.gz DELWNAFZOOZARA-QDLOVBKTSA-N 2 1 264.413 2.352 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](COC)C2)[C@@H](C)C1 ZINC000883320129 652432264 /nfs/dbraw/zinc/43/22/64/652432264.db2.gz BVBJQECWWBLZQH-MWDXBVQZSA-N 2 1 298.471 2.138 20 0 CEADMP CCC[N@@H+](C[C@@H]1CCC2(CCOCC2)O1)C1CC[NH2+]CC1 ZINC000883424214 652465074 /nfs/dbraw/zinc/46/50/74/652465074.db2.gz KOSJMXJUIYSKKW-INIZCTEOSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@@H](c1ccsc1)[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883431342 652467761 /nfs/dbraw/zinc/46/77/61/652467761.db2.gz RYVUHOAQWBXWHL-QEJZJMRPSA-N 2 1 297.443 2.127 20 0 CEADMP CC1(C)CCC[C@H](C[NH+]2CCC3(CC[NH2+]3)CC2)O1 ZINC000883432991 652468237 /nfs/dbraw/zinc/46/82/37/652468237.db2.gz GIYNHHAVWLPCOH-CYBMUJFWSA-N 2 1 252.402 2.162 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883437699 652469343 /nfs/dbraw/zinc/46/93/43/652469343.db2.gz YNXOLYNWAQKFHN-SJORKVTESA-N 2 1 292.423 2.075 20 0 CEADMP Cn1c[nH+]cc1CCN1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000883439140 652470809 /nfs/dbraw/zinc/47/08/09/652470809.db2.gz JWJQSHBXJYYBKO-OAHLLOKOSA-N 2 1 270.380 2.261 20 0 CEADMP CCCNc1cc(NCC[N@@H+](C)C(C)C)ncn1 ZINC000132846190 652563555 /nfs/dbraw/zinc/56/35/55/652563555.db2.gz RXAGCEOGSHIICX-UHFFFAOYSA-N 2 1 251.378 2.051 20 0 CEADMP CCCNc1cc(NCC[N@H+](C)C(C)C)nc[nH+]1 ZINC000132846190 652563557 /nfs/dbraw/zinc/56/35/57/652563557.db2.gz RXAGCEOGSHIICX-UHFFFAOYSA-N 2 1 251.378 2.051 20 0 CEADMP CCCNc1cc(NCC[N@@H+](C)C(C)C)nc[nH+]1 ZINC000132846190 652563558 /nfs/dbraw/zinc/56/35/58/652563558.db2.gz RXAGCEOGSHIICX-UHFFFAOYSA-N 2 1 251.378 2.051 20 0 CEADMP Cc1[nH+]ccn1CCCCNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884225736 652758452 /nfs/dbraw/zinc/75/84/52/652758452.db2.gz BNFCXGVGROACRI-AWEZNQCLSA-N 2 1 294.443 2.097 20 0 CEADMP CC[C@@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)[NH+]1CCCC1 ZINC000885920839 653069186 /nfs/dbraw/zinc/06/91/86/653069186.db2.gz IUNACMIJADYGSD-CVEARBPZSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@@H]1CO[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@H]12 ZINC001167995190 805597458 /nfs/dbraw/zinc/59/74/58/805597458.db2.gz YMYYVGPKGIIJAG-PFMLSUIWSA-N 2 1 290.451 2.359 20 0 CEADMP C[C@@H]1CO[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@H]12 ZINC001167995190 805597464 /nfs/dbraw/zinc/59/74/64/805597464.db2.gz YMYYVGPKGIIJAG-PFMLSUIWSA-N 2 1 290.451 2.359 20 0 CEADMP C[C@@H]1CO[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@H]12 ZINC001167995190 805597468 /nfs/dbraw/zinc/59/74/68/805597468.db2.gz YMYYVGPKGIIJAG-PFMLSUIWSA-N 2 1 290.451 2.359 20 0 CEADMP COC[C@@H]1CCCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000696560467 805644324 /nfs/dbraw/zinc/64/43/24/805644324.db2.gz PEWCCTHSLRCMDZ-HUUCEWRRSA-N 2 1 254.418 2.125 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC2CCCC2)CC1 ZINC001203442390 805813381 /nfs/dbraw/zinc/81/33/81/805813381.db2.gz JTNNHUMTQGQHIE-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1C[C@@H](N2CC(C)([NH3+])C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033233 805841711 /nfs/dbraw/zinc/84/17/11/805841711.db2.gz KMZXQGKZIGFPGE-SCAQPMJSSA-N 2 1 287.451 2.461 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)C(C)C)C1 ZINC001029751380 806063154 /nfs/dbraw/zinc/06/31/54/806063154.db2.gz SXJVDWPDKGVPNQ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)C(C)C)C1 ZINC001029751380 806063162 /nfs/dbraw/zinc/06/31/62/806063162.db2.gz SXJVDWPDKGVPNQ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)C(C)C)C1 ZINC001029751380 806063172 /nfs/dbraw/zinc/06/31/72/806063172.db2.gz SXJVDWPDKGVPNQ-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168101788 806165925 /nfs/dbraw/zinc/16/59/25/806165925.db2.gz MNCHPWRRCIIBPY-JKQORVJESA-N 2 1 296.455 2.305 20 0 CEADMP CCCC[NH+]1CCN(C2CCC([NH+](C)C)CC2)CC1 ZINC001168322697 806653275 /nfs/dbraw/zinc/65/32/75/806653275.db2.gz FEHTWMARIXRWIN-UHFFFAOYSA-N 2 1 267.461 2.277 20 0 CEADMP CC1(C)C[N@H+](C2CC[NH+](CC3CC3)CC2)[C@](C)(CO)C1 ZINC001168373338 806972139 /nfs/dbraw/zinc/97/21/39/806972139.db2.gz OVJCEBCEYRLJHH-KRWDZBQOSA-N 2 1 280.456 2.344 20 0 CEADMP CC1(C)C[N@@H+](C2CC[NH+](CC3CC3)CC2)[C@](C)(CO)C1 ZINC001168373338 806972144 /nfs/dbraw/zinc/97/21/44/806972144.db2.gz OVJCEBCEYRLJHH-KRWDZBQOSA-N 2 1 280.456 2.344 20 0 CEADMP OC[C@]1(F)CCC[N@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168374146 806979561 /nfs/dbraw/zinc/97/95/61/806979561.db2.gz WSGUYNCICSUTAI-INIZCTEOSA-N 2 1 284.419 2.047 20 0 CEADMP CCCCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001266288166 802383240 /nfs/dbraw/zinc/38/32/40/802383240.db2.gz BBPSPZSAAZONLN-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001266288166 802383249 /nfs/dbraw/zinc/38/32/49/802383249.db2.gz BBPSPZSAAZONLN-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCC[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001266288166 802383255 /nfs/dbraw/zinc/38/32/55/802383255.db2.gz BBPSPZSAAZONLN-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001266308226 802423729 /nfs/dbraw/zinc/42/37/29/802423729.db2.gz RSXSNSLZXGBGDG-XFCCUVRLSA-N 2 1 293.455 2.018 20 0 CEADMP CCC/C=C\CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001266308226 802423738 /nfs/dbraw/zinc/42/37/38/802423738.db2.gz RSXSNSLZXGBGDG-XFCCUVRLSA-N 2 1 293.455 2.018 20 0 CEADMP CCC/C=C\CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001266308226 802423743 /nfs/dbraw/zinc/42/37/43/802423743.db2.gz RSXSNSLZXGBGDG-XFCCUVRLSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH+]1C[C@@H]2C[NH+](C[C@@H](C)C(F)(F)F)C[C@H]2C1 ZINC001208903818 802438083 /nfs/dbraw/zinc/43/80/83/802438083.db2.gz ZAXZNMXESMILNH-GMTAPVOTSA-N 2 1 250.308 2.068 20 0 CEADMP CN1CCC([N@@H+](C)C[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001208987873 802444219 /nfs/dbraw/zinc/44/42/19/802444219.db2.gz LMMJMJGWZBGWFG-CQSZACIVSA-N 2 1 297.443 2.022 20 0 CEADMP CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001208987873 802444226 /nfs/dbraw/zinc/44/42/26/802444226.db2.gz LMMJMJGWZBGWFG-CQSZACIVSA-N 2 1 297.443 2.022 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2ccnc(N(C)C)c2)[C@@H](C)C1 ZINC000754063849 802507231 /nfs/dbraw/zinc/50/72/31/802507231.db2.gz CPTWUZTZJIMCTP-HOCLYGCPSA-N 2 1 290.455 2.310 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnc(N(C)C)c2)[C@@H](C)C1 ZINC000754063849 802507239 /nfs/dbraw/zinc/50/72/39/802507239.db2.gz CPTWUZTZJIMCTP-HOCLYGCPSA-N 2 1 290.455 2.310 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnc(N(C)C)c2)[C@@H](C)C1 ZINC000754063849 802507242 /nfs/dbraw/zinc/50/72/42/802507242.db2.gz CPTWUZTZJIMCTP-HOCLYGCPSA-N 2 1 290.455 2.310 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(CN2[C@H](C)C[NH2+]C[C@@H]2C)cc1 ZINC001209856830 802576564 /nfs/dbraw/zinc/57/65/64/802576564.db2.gz QKUMAXCQSUPXJG-OKILXGFUSA-N 2 1 284.407 2.363 20 0 CEADMP C[N@@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)CC(C)(C)C[NH3+] ZINC000721445212 802776528 /nfs/dbraw/zinc/77/65/28/802776528.db2.gz PIDQFYGEHHUBGM-UWVGGRQHSA-N 2 1 268.323 2.013 20 0 CEADMP Cn1c[nH+]cc1Nc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001211250254 802800642 /nfs/dbraw/zinc/80/06/42/802800642.db2.gz KSZULDFUYVUZOX-UHFFFAOYSA-N 2 1 289.358 2.055 20 0 CEADMP Cc1c[nH+]c(CC[NH3+])n1C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169974520 811803917 /nfs/dbraw/zinc/80/39/17/811803917.db2.gz JXJZLMFMHNDBTC-UHFFFAOYSA-N 2 1 280.416 2.276 20 0 CEADMP CC/C=C/CC[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266761266 802885076 /nfs/dbraw/zinc/88/50/76/802885076.db2.gz WWIADTQPGSPIMH-SQRWCISFSA-N 2 1 295.471 2.123 20 0 CEADMP C([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000723666075 802922100 /nfs/dbraw/zinc/92/21/00/802922100.db2.gz VYXIIKIBYYYBMK-XUWVNRHRSA-N 2 1 278.440 2.266 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000723671638 802923366 /nfs/dbraw/zinc/92/33/66/802923366.db2.gz DVOQWKDBAJZUML-LBPRGKRZSA-N 2 1 268.788 2.390 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000723679367 802923771 /nfs/dbraw/zinc/92/37/71/802923771.db2.gz AXRWJMGHLOSNSG-INIZCTEOSA-N 2 1 284.407 2.102 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c(Cl)n1 ZINC000723708053 802927096 /nfs/dbraw/zinc/92/70/96/802927096.db2.gz AVEYWAPLVYKQHC-LLVKDONJSA-N 2 1 253.777 2.214 20 0 CEADMP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001266856919 802947821 /nfs/dbraw/zinc/94/78/21/802947821.db2.gz IHYIKZMXKAHYOH-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)C[C@H]1CC[NH3+] ZINC000723908384 802966821 /nfs/dbraw/zinc/96/68/21/802966821.db2.gz QYSHOSSVXSJXBU-KFWWJZLASA-N 2 1 274.408 2.469 20 0 CEADMP OCC[NH+]1CCC([NH2+]C2CCCCCCC2)CC1 ZINC000399215743 802980333 /nfs/dbraw/zinc/98/03/33/802980333.db2.gz ZOMWZGIHPBPVPO-UHFFFAOYSA-N 2 1 254.418 2.146 20 0 CEADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC1=CCCCC1 ZINC001266949655 803016217 /nfs/dbraw/zinc/01/62/17/803016217.db2.gz VZZDSQDDCLKOCP-HOCLYGCPSA-N 2 1 293.455 2.065 20 0 CEADMP CCCC[NH2+][C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001266994270 803044484 /nfs/dbraw/zinc/04/44/84/803044484.db2.gz KFKSTWYRQKXYBI-ZBFHGGJFSA-N 2 1 291.439 2.184 20 0 CEADMP C[N@@H+](CCC1CCCCC1)CCN1CC[NH+](C)CC1 ZINC001207260607 803090885 /nfs/dbraw/zinc/09/08/85/803090885.db2.gz DDBGBVUXONPEEC-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP CCc1noc(C2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)n1 ZINC001207282944 803125465 /nfs/dbraw/zinc/12/54/65/803125465.db2.gz QZIUZMCKTLFSHD-UHFFFAOYSA-N 2 1 294.443 2.399 20 0 CEADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001207283647 803128743 /nfs/dbraw/zinc/12/87/43/803128743.db2.gz BJYXSRSPQQTNCF-CQSZACIVSA-N 2 1 261.413 2.459 20 0 CEADMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]CCCC2CCC2)C1 ZINC001133896340 813172554 /nfs/dbraw/zinc/17/25/54/813172554.db2.gz JIHLIAWWDJAKHK-UHFFFAOYSA-N 2 1 295.471 2.004 20 0 CEADMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]CC2CCCCC2)C1 ZINC001133896687 813172950 /nfs/dbraw/zinc/17/29/50/813172950.db2.gz OLIFDRMFRUDXGE-UHFFFAOYSA-N 2 1 295.471 2.004 20 0 CEADMP CCCCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267128952 803150957 /nfs/dbraw/zinc/15/09/57/803150957.db2.gz FXBJFZNUHLCCIV-RRFJBIMHSA-N 2 1 283.460 2.001 20 0 CEADMP CCCOc1ncc(NC(=[NH2+])SCC[NH3+])cc1C ZINC001167912783 803226343 /nfs/dbraw/zinc/22/63/43/803226343.db2.gz RTWJDAFCQMTKAU-UHFFFAOYSA-N 2 1 268.386 2.217 20 0 CEADMP CC(C)CCc1nnc([C@@H]([NH3+])CC2CC[NH2+]CC2)o1 ZINC001217726355 803415647 /nfs/dbraw/zinc/41/56/47/803415647.db2.gz ZKZAAQPXGBGFAJ-LBPRGKRZSA-N 2 1 266.389 2.048 20 0 CEADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000725116222 803430612 /nfs/dbraw/zinc/43/06/12/803430612.db2.gz RUWNGJPHSXXYIM-OAGGEKHMSA-N 2 1 266.429 2.144 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CC[C@H]1[NH3+] ZINC000693978914 803453017 /nfs/dbraw/zinc/45/30/17/803453017.db2.gz AQDILOOWHHFUOY-TZMCWYRMSA-N 2 1 258.369 2.122 20 0 CEADMP Cc1c[nH+]cn1CC(=O)NCCC[N@@H+](CC(C)C)C(C)C ZINC001267504217 803515831 /nfs/dbraw/zinc/51/58/31/803515831.db2.gz MSHCHZIQPBYPCP-UHFFFAOYSA-N 2 1 294.443 2.064 20 0 CEADMP Cc1c[nH+]cn1CC(=O)NCCC[N@H+](CC(C)C)C(C)C ZINC001267504217 803515836 /nfs/dbraw/zinc/51/58/36/803515836.db2.gz MSHCHZIQPBYPCP-UHFFFAOYSA-N 2 1 294.443 2.064 20 0 CEADMP C[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000694887747 803594053 /nfs/dbraw/zinc/59/40/53/803594053.db2.gz YOUSNBQCTUXIIC-FVPDABNVSA-N 2 1 266.429 2.406 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001203208848 803643730 /nfs/dbraw/zinc/64/37/30/803643730.db2.gz MNJRSVZWEDUISC-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](C)CC1)C1CCN(C)CC1 ZINC001207484492 803788845 /nfs/dbraw/zinc/78/88/45/803788845.db2.gz MTGMEPFYGNFVJK-UHFFFAOYSA-N 2 1 267.461 2.134 20 0 CEADMP C[NH+](C)C1(C)CCC([NH2+]CCNC(C)(C)C)CC1 ZINC000715518321 814971929 /nfs/dbraw/zinc/97/19/29/814971929.db2.gz LXMQRPIAYBCUNW-UHFFFAOYSA-N 2 1 255.450 2.227 20 0 CEADMP C[NH+](C)C1(C)CCC(NCC[NH2+]C(C)(C)C)CC1 ZINC000715518321 814971933 /nfs/dbraw/zinc/97/19/33/814971933.db2.gz LXMQRPIAYBCUNW-UHFFFAOYSA-N 2 1 255.450 2.227 20 0 CEADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC001118019053 814977011 /nfs/dbraw/zinc/97/70/11/814977011.db2.gz MGLKOFXEWAJUCD-LLVKDONJSA-N 2 1 259.353 2.028 20 0 CEADMP C(C[C@H]1CCCS1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000715641303 814984430 /nfs/dbraw/zinc/98/44/30/814984430.db2.gz FWWCDBCXXFXRCH-CQSZACIVSA-N 2 1 254.443 2.489 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027408691 804064924 /nfs/dbraw/zinc/06/49/24/804064924.db2.gz WCAVHELTZFOWGR-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027408691 804064935 /nfs/dbraw/zinc/06/49/35/804064935.db2.gz WCAVHELTZFOWGR-HOTGVXAUSA-N 2 1 295.471 2.192 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000125560367 804111949 /nfs/dbraw/zinc/11/19/49/804111949.db2.gz UHXURFGGKLLKGA-NSHDSACASA-N 2 1 280.799 2.446 20 0 CEADMP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268086347 804399228 /nfs/dbraw/zinc/39/92/28/804399228.db2.gz LULKONCGSQVJPV-CABCVRRESA-N 2 1 297.487 2.201 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001167835903 804428031 /nfs/dbraw/zinc/42/80/31/804428031.db2.gz VVIYSLQQARYOBI-YESZJQIVSA-N 3 1 281.488 2.380 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001167835903 804428039 /nfs/dbraw/zinc/42/80/39/804428039.db2.gz VVIYSLQQARYOBI-YESZJQIVSA-N 3 1 281.488 2.380 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001167835903 804428044 /nfs/dbraw/zinc/42/80/44/804428044.db2.gz VVIYSLQQARYOBI-YESZJQIVSA-N 3 1 281.488 2.380 20 0 CEADMP CCN1C[C@@H]2C[N@H+]([C@@H](C)CCC[NH+](CC)CC)C[C@@H]2C1 ZINC001167835903 804428049 /nfs/dbraw/zinc/42/80/49/804428049.db2.gz VVIYSLQQARYOBI-YESZJQIVSA-N 2 1 281.488 2.380 20 0 CEADMP CCN1C[C@@H]2C[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C[C@@H]2C1 ZINC001167835903 804428052 /nfs/dbraw/zinc/42/80/52/804428052.db2.gz VVIYSLQQARYOBI-YESZJQIVSA-N 2 1 281.488 2.380 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001284153012 804806521 /nfs/dbraw/zinc/80/65/21/804806521.db2.gz JIXXXWORVIUFJC-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cncc3ccccc32)CC[C@@H]1[NH3+] ZINC000165082520 807038036 /nfs/dbraw/zinc/03/80/36/807038036.db2.gz POIPWQYYERBCSV-WBMJQRKESA-N 2 1 255.365 2.404 20 0 CEADMP CN(CCC[NH2+]CCC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001268810086 804980221 /nfs/dbraw/zinc/98/02/21/804980221.db2.gz CEESTDGBYQKBMH-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CC/C=C\CC[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001269249755 805101433 /nfs/dbraw/zinc/10/14/33/805101433.db2.gz UBHXLJKAFUXHKW-YIEVGGLXSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001269249755 805101438 /nfs/dbraw/zinc/10/14/38/805101438.db2.gz UBHXLJKAFUXHKW-YIEVGGLXSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C\CC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001269249755 805101444 /nfs/dbraw/zinc/10/14/44/805101444.db2.gz UBHXLJKAFUXHKW-YIEVGGLXSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001269249754 805101616 /nfs/dbraw/zinc/10/16/16/805101616.db2.gz UBHXLJKAFUXHKW-DWTRPJMMSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001269249754 805101622 /nfs/dbraw/zinc/10/16/22/805101622.db2.gz UBHXLJKAFUXHKW-DWTRPJMMSA-N 2 1 293.455 2.018 20 0 CEADMP CC/C=C/CC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001269249754 805101626 /nfs/dbraw/zinc/10/16/26/805101626.db2.gz UBHXLJKAFUXHKW-DWTRPJMMSA-N 2 1 293.455 2.018 20 0 CEADMP CCCCC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001269269142 805106283 /nfs/dbraw/zinc/10/62/83/805106283.db2.gz UGYCTUQNFJQXPC-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[N@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001269356774 805140045 /nfs/dbraw/zinc/14/00/45/805140045.db2.gz VIHCHWMVWFVATG-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167952255 805183491 /nfs/dbraw/zinc/18/34/91/805183491.db2.gz NCYSPEWBFKOBAJ-FSDCSDTHSA-N 2 1 278.440 2.360 20 0 CEADMP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001284652552 805268911 /nfs/dbraw/zinc/26/89/11/805268911.db2.gz KHCUKAFKYVHVGD-LSDHHAIUSA-N 2 1 295.471 2.025 20 0 CEADMP O[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167959569 805305004 /nfs/dbraw/zinc/30/50/04/805305004.db2.gz RADTZFVNCOFXIP-DLQSPFOFSA-N 2 1 278.440 2.285 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)[C@@H]1CCCO1 ZINC001167959946 805315631 /nfs/dbraw/zinc/31/56/31/805315631.db2.gz VWORFNSYGKLXLS-UYTSQGDYSA-N 2 1 264.413 2.160 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(O)c(F)c3)CC[C@H]21 ZINC000300435223 805326447 /nfs/dbraw/zinc/32/64/47/805326447.db2.gz VFZGYCWIEWSRCW-UKRRQHHQSA-N 2 1 278.371 2.447 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(O)c(F)c3)CC[C@H]21 ZINC000300435223 805326460 /nfs/dbraw/zinc/32/64/60/805326460.db2.gz VFZGYCWIEWSRCW-UKRRQHHQSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(O)c(F)c3)CC[C@H]21 ZINC000300435223 805326465 /nfs/dbraw/zinc/32/64/65/805326465.db2.gz VFZGYCWIEWSRCW-UKRRQHHQSA-N 2 1 278.371 2.447 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(O)c(F)c3)CC[C@H]21 ZINC000300435223 805326476 /nfs/dbraw/zinc/32/64/76/805326476.db2.gz VFZGYCWIEWSRCW-UKRRQHHQSA-N 2 1 278.371 2.447 20 0 CEADMP CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001029003189 805424598 /nfs/dbraw/zinc/42/45/98/805424598.db2.gz IJLMMRBZIRINSI-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001029003189 805424602 /nfs/dbraw/zinc/42/46/02/805424602.db2.gz IJLMMRBZIRINSI-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001029003189 805424606 /nfs/dbraw/zinc/42/46/06/805424606.db2.gz IJLMMRBZIRINSI-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H](C[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964189 805443935 /nfs/dbraw/zinc/44/39/35/805443935.db2.gz NNOTZJVHXYCHJJ-CCNLRDMRSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCC[C@H]1O ZINC001167982865 805518067 /nfs/dbraw/zinc/51/80/67/805518067.db2.gz CXXCRBOSEBAPDA-SCBLWJDOSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC[C@H]1O ZINC001167982865 805518074 /nfs/dbraw/zinc/51/80/74/805518074.db2.gz CXXCRBOSEBAPDA-SCBLWJDOSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC[C@H]1O ZINC001167982865 805518079 /nfs/dbraw/zinc/51/80/79/805518079.db2.gz CXXCRBOSEBAPDA-SCBLWJDOSA-N 2 1 292.467 2.485 20 0 CEADMP CC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001029107677 805538345 /nfs/dbraw/zinc/53/83/45/805538345.db2.gz CVBVHQXRVMQICU-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCC1CCCC1 ZINC001127081904 807012987 /nfs/dbraw/zinc/01/29/87/807012987.db2.gz FRBYJGAUITTZCN-MRXNPFEDSA-N 2 1 295.471 2.145 20 0 CEADMP CCC(CC)C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030301817 807141394 /nfs/dbraw/zinc/14/13/94/807141394.db2.gz PLJSVRXQHWKTHB-MRXNPFEDSA-N 2 1 295.471 2.096 20 0 CEADMP NC(=[NH2+])c1nccn1-c1ccc2c(c1)[nH]c1cc[nH+]cc12 ZINC001168419168 807263436 /nfs/dbraw/zinc/26/34/36/807263436.db2.gz DCDHYZSIKYIYIS-UHFFFAOYSA-N 2 1 276.303 2.186 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716279673 815110176 /nfs/dbraw/zinc/11/01/76/815110176.db2.gz SHAFDZXIWSUGTP-SOUVJXGZSA-N 2 1 266.429 2.395 20 0 CEADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716295947 815111295 /nfs/dbraw/zinc/11/12/95/815111295.db2.gz SWNQFPHIOQMVDQ-KBPBESRZSA-N 2 1 252.402 2.006 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCC2(CCC2)CO1 ZINC000716299578 815111545 /nfs/dbraw/zinc/11/15/45/815111545.db2.gz BIWJEEVDWCVWAT-MGPQQGTHSA-N 2 1 252.402 2.147 20 0 CEADMP COc1ccc(CCC[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205093841 807573086 /nfs/dbraw/zinc/57/30/86/807573086.db2.gz GKLHEXZRRXYJTB-OAHLLOKOSA-N 2 1 262.397 2.441 20 0 CEADMP CC1(C)C[C@@H](CNc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)O1 ZINC001168453100 807594708 /nfs/dbraw/zinc/59/47/08/807594708.db2.gz UDDHWDVEDVVNPK-ZDUSSCGKSA-N 2 1 286.379 2.001 20 0 CEADMP [NH3+][C@H]1CCC[N@H+](CCC[NH2+]C2CCCCC2)CC1 ZINC001205095532 807596785 /nfs/dbraw/zinc/59/67/85/807596785.db2.gz YLTFHFGQEFYJED-AWEZNQCLSA-N 3 1 253.434 2.112 20 0 CEADMP [NH3+][C@H]1CCC[N@@H+](CCC[NH2+]C2CCCCC2)CC1 ZINC001205095532 807596790 /nfs/dbraw/zinc/59/67/90/807596790.db2.gz YLTFHFGQEFYJED-AWEZNQCLSA-N 3 1 253.434 2.112 20 0 CEADMP CN1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716638434 815137431 /nfs/dbraw/zinc/13/74/31/815137431.db2.gz OXCUPKQUOLXWSS-MANSERQUSA-N 2 1 299.462 2.333 20 0 CEADMP C[N@@H+]1CC[C@@H](N[C@@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)C1 ZINC000716638434 815137433 /nfs/dbraw/zinc/13/74/33/815137433.db2.gz OXCUPKQUOLXWSS-MANSERQUSA-N 2 1 299.462 2.333 20 0 CEADMP C[N@H+]1CC[C@@H](N[C@@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)C1 ZINC000716638434 815137435 /nfs/dbraw/zinc/13/74/35/815137435.db2.gz OXCUPKQUOLXWSS-MANSERQUSA-N 2 1 299.462 2.333 20 0 CEADMP C[NH+]1CC[C@@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716638434 815137439 /nfs/dbraw/zinc/13/74/39/815137439.db2.gz OXCUPKQUOLXWSS-MANSERQUSA-N 2 1 299.462 2.333 20 0 CEADMP C[NH+]1CC[C@@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716638434 815137440 /nfs/dbraw/zinc/13/74/40/815137440.db2.gz OXCUPKQUOLXWSS-MANSERQUSA-N 2 1 299.462 2.333 20 0 CEADMP CN1CC[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716695437 815143139 /nfs/dbraw/zinc/14/31/39/815143139.db2.gz XCFKNOGACCTXGN-MANSERQUSA-N 2 1 299.462 2.333 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089333620 807755495 /nfs/dbraw/zinc/75/54/95/807755495.db2.gz BJFGARGOTQTQFT-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089333620 807755497 /nfs/dbraw/zinc/75/54/97/807755497.db2.gz BJFGARGOTQTQFT-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089333620 807755498 /nfs/dbraw/zinc/75/54/98/807755498.db2.gz BJFGARGOTQTQFT-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CC1=CC[C@@H](CC[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1(C)C ZINC001235051918 807763260 /nfs/dbraw/zinc/76/32/60/807763260.db2.gz CESAEFJFGPNZMQ-DOTOQJQBSA-N 2 1 277.456 2.006 20 0 CEADMP C[C@@H](Cc1cccc(F)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001168496024 807821172 /nfs/dbraw/zinc/82/11/72/807821172.db2.gz HVIQRENOVGLTAL-AEGPPILISA-N 2 1 262.372 2.250 20 0 CEADMP C[C@@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001168496024 807821181 /nfs/dbraw/zinc/82/11/81/807821181.db2.gz HVIQRENOVGLTAL-AEGPPILISA-N 2 1 262.372 2.250 20 0 CEADMP C[C@@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001168496024 807821189 /nfs/dbraw/zinc/82/11/89/807821189.db2.gz HVIQRENOVGLTAL-AEGPPILISA-N 2 1 262.372 2.250 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000125555827 807916913 /nfs/dbraw/zinc/91/69/13/807916913.db2.gz OXIMESGCYZFMCA-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089657974 808090281 /nfs/dbraw/zinc/09/02/81/808090281.db2.gz GPQUKOBXDGBZRG-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089657974 808090288 /nfs/dbraw/zinc/09/02/88/808090288.db2.gz GPQUKOBXDGBZRG-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001089657974 808090296 /nfs/dbraw/zinc/09/02/96/808090296.db2.gz GPQUKOBXDGBZRG-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001089657974 808090304 /nfs/dbraw/zinc/09/03/04/808090304.db2.gz GPQUKOBXDGBZRG-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP COC(C)(C)CCC[C@H](C)CCN1C[C@H]([NH3+])C2(COC2)C1 ZINC001237176359 808201193 /nfs/dbraw/zinc/20/11/93/808201193.db2.gz PUFDLNLKFQKIDF-GJZGRUSLSA-N 2 1 298.471 2.267 20 0 CEADMP COCc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237391061 808215153 /nfs/dbraw/zinc/21/51/53/808215153.db2.gz JXKJWKLEIYHBAB-WFASDCNBSA-N 2 1 280.437 2.468 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237391061 808215162 /nfs/dbraw/zinc/21/51/62/808215162.db2.gz JXKJWKLEIYHBAB-WFASDCNBSA-N 2 1 280.437 2.468 20 0 CEADMP Cc1nn(C)cc1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619562 815205084 /nfs/dbraw/zinc/20/50/84/815205084.db2.gz PHCPMRADAIYOMR-UHFFFAOYSA-N 2 1 278.444 2.470 20 0 CEADMP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCOC[C@H]2F)CC1(C)C ZINC001171623317 815205980 /nfs/dbraw/zinc/20/59/80/815205980.db2.gz SYKFZCMABKMBMX-OLZOCXBDSA-N 2 1 272.408 2.354 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC23CCCC3)CC[N@@H+]1C ZINC001120249144 815207170 /nfs/dbraw/zinc/20/71/70/815207170.db2.gz GDWCIICNAPNGTN-MCIONIFRSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC23CCCC3)CC[N@H+]1C ZINC001120249144 815207175 /nfs/dbraw/zinc/20/71/75/815207175.db2.gz GDWCIICNAPNGTN-MCIONIFRSA-N 2 1 252.402 2.160 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C[C@@H]2C1 ZINC001171639962 815213850 /nfs/dbraw/zinc/21/38/50/815213850.db2.gz XBFNNKAIUGMOCI-OKILXGFUSA-N 2 1 279.472 2.131 20 0 CEADMP CN1C[C@@H]2C[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C[C@@H]2C1 ZINC001171639962 815213857 /nfs/dbraw/zinc/21/38/57/815213857.db2.gz XBFNNKAIUGMOCI-OKILXGFUSA-N 2 1 279.472 2.131 20 0 CEADMP CN1C[C@@H]2C[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C[C@@H]2C1 ZINC001171639962 815213861 /nfs/dbraw/zinc/21/38/61/815213861.db2.gz XBFNNKAIUGMOCI-OKILXGFUSA-N 2 1 279.472 2.131 20 0 CEADMP C[NH+]1C(C)(C)CC([N@@H+]2CCCC3(C2)OCCO3)CC1(C)C ZINC001171642248 815214794 /nfs/dbraw/zinc/21/47/94/815214794.db2.gz HQBYUCGMYGMENV-UHFFFAOYSA-N 2 1 296.455 2.477 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC3(C2)OCCO3)CC1(C)C ZINC001171642248 815214799 /nfs/dbraw/zinc/21/47/99/815214799.db2.gz HQBYUCGMYGMENV-UHFFFAOYSA-N 2 1 296.455 2.477 20 0 CEADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CCCC(C)C ZINC001171726199 815217845 /nfs/dbraw/zinc/21/78/45/815217845.db2.gz XZMGJLQEPPCJAC-UHFFFAOYSA-N 2 1 285.476 2.250 20 0 CEADMP CSc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205212362 808575748 /nfs/dbraw/zinc/57/57/48/808575748.db2.gz ZJPZKANJKAPUKB-HNNXBMFYSA-N 2 1 280.437 2.084 20 0 CEADMP C[C@@H]1C[C@H](n2ccnc2C(N)=[NH2+])C[N@H+]1Cc1ccccc1 ZINC001171729436 815219169 /nfs/dbraw/zinc/21/91/69/815219169.db2.gz UKABNYJJKCRXSP-OCCSQVGLSA-N 2 1 283.379 2.003 20 0 CEADMP C[C@@H]1C[C@@H](n2cc(C[NH3+])cn2)C[N@H+]1Cc1ccccc1 ZINC001171730765 815219967 /nfs/dbraw/zinc/21/99/67/815219967.db2.gz YZMGVNOGCYENBG-CZUORRHYSA-N 2 1 270.380 2.177 20 0 CEADMP CCc1cccc(C)c1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205247401 808699744 /nfs/dbraw/zinc/69/97/44/808699744.db2.gz GVBNFSHZFSJRDG-QGZVFWFLSA-N 2 1 276.424 2.233 20 0 CEADMP CC(C)(C[NH3+])[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171865907 815247011 /nfs/dbraw/zinc/24/70/11/815247011.db2.gz GXUQZAFSMWFFRD-HNNXBMFYSA-N 2 1 289.423 2.008 20 0 CEADMP CC1(C)C[C@@H]([NH2+]CCCO)CC[N@H+]1Cc1ccccc1 ZINC001171964042 815253062 /nfs/dbraw/zinc/25/30/62/815253062.db2.gz KAFWEDHBWOIUME-INIZCTEOSA-N 2 1 276.424 2.402 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168737691 809199865 /nfs/dbraw/zinc/19/98/65/809199865.db2.gz CKBVAOLJJDMKKV-HZSPNIEDSA-N 2 1 276.811 2.301 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168737691 809199870 /nfs/dbraw/zinc/19/98/70/809199870.db2.gz CKBVAOLJJDMKKV-HZSPNIEDSA-N 2 1 276.811 2.301 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168737691 809199874 /nfs/dbraw/zinc/19/98/74/809199874.db2.gz CKBVAOLJJDMKKV-HZSPNIEDSA-N 2 1 276.811 2.301 20 0 CEADMP CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470849 809313710 /nfs/dbraw/zinc/31/37/10/809313710.db2.gz DVTFOVGRQOCVBL-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033470849 809313719 /nfs/dbraw/zinc/31/37/19/809313719.db2.gz DVTFOVGRQOCVBL-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033470849 809313729 /nfs/dbraw/zinc/31/37/29/809313729.db2.gz DVTFOVGRQOCVBL-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)C2 ZINC001172098518 815283237 /nfs/dbraw/zinc/28/32/37/815283237.db2.gz AJWLPVULAKKSDZ-BTTYYORXSA-N 2 1 297.443 2.116 20 0 CEADMP CCOC(=O)CC(C)(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099425 815283278 /nfs/dbraw/zinc/28/32/78/815283278.db2.gz KZELTACSMHZWFC-ZSOGYDGISA-N 2 1 282.428 2.323 20 0 CEADMP CCOC(=O)CC(C)(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099425 815283283 /nfs/dbraw/zinc/28/32/83/815283283.db2.gz KZELTACSMHZWFC-ZSOGYDGISA-N 2 1 282.428 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C2 ZINC001172100762 815284461 /nfs/dbraw/zinc/28/44/61/815284461.db2.gz SKXMQRSJWCWUKE-YYIAUSFCSA-N 2 1 292.398 2.464 20 0 CEADMP C[N@H+]1C[C@@H]2CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)[C@@H]2C1 ZINC001172126923 815286704 /nfs/dbraw/zinc/28/67/04/815286704.db2.gz ZJBDEDGBNWJEKH-ZOFXXKQRSA-N 2 1 277.456 2.028 20 0 CEADMP C[NH+]1C[C@@H]2CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)[C@@H]2C1 ZINC001172126923 815286709 /nfs/dbraw/zinc/28/67/09/815286709.db2.gz ZJBDEDGBNWJEKH-ZOFXXKQRSA-N 2 1 277.456 2.028 20 0 CEADMP C[NH+]1C[C@@H]2CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)[C@@H]2C1 ZINC001172126923 815286713 /nfs/dbraw/zinc/28/67/13/815286713.db2.gz ZJBDEDGBNWJEKH-ZOFXXKQRSA-N 2 1 277.456 2.028 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3ccncc3C1)C2 ZINC001172126814 815287859 /nfs/dbraw/zinc/28/78/59/815287859.db2.gz YFPKUQAXQNVFRS-ZSHCYNCHSA-N 2 1 257.381 2.413 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3ccncc3C1)C2 ZINC001172126814 815287863 /nfs/dbraw/zinc/28/78/63/815287863.db2.gz YFPKUQAXQNVFRS-ZSHCYNCHSA-N 2 1 257.381 2.413 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1Cc3ccncc3C1)C2 ZINC001172126814 815287867 /nfs/dbraw/zinc/28/78/67/815287867.db2.gz YFPKUQAXQNVFRS-ZSHCYNCHSA-N 2 1 257.381 2.413 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1Cc3ccncc3C1)C2 ZINC001172126814 815287872 /nfs/dbraw/zinc/28/78/72/815287872.db2.gz YFPKUQAXQNVFRS-ZSHCYNCHSA-N 2 1 257.381 2.413 20 0 CEADMP C[NH+](C)CCC1CC[NH+](Cc2cnc(Cl)cn2)CC1 ZINC000701436580 809430777 /nfs/dbraw/zinc/43/07/77/809430777.db2.gz NWMAYJATCVYYAU-UHFFFAOYSA-N 2 1 282.819 2.294 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@]13CCOC3)C2 ZINC001172129335 815288670 /nfs/dbraw/zinc/28/86/70/815288670.db2.gz YJDZUXATHBNUKV-JJXSEGSLSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@]13CCOC3)C2 ZINC001172129335 815288676 /nfs/dbraw/zinc/28/86/76/815288676.db2.gz YJDZUXATHBNUKV-JJXSEGSLSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@]13CCOC3)C2 ZINC001172129335 815288681 /nfs/dbraw/zinc/28/86/81/815288681.db2.gz YJDZUXATHBNUKV-JJXSEGSLSA-N 2 1 264.413 2.257 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172104275 815293260 /nfs/dbraw/zinc/29/32/60/815293260.db2.gz BUIKMNTZRCADHS-JONQDZQNSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCC[C@H]1CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104275 815293262 /nfs/dbraw/zinc/29/32/62/815293262.db2.gz BUIKMNTZRCADHS-JONQDZQNSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCC[C@H]1CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104275 815293267 /nfs/dbraw/zinc/29/32/67/815293267.db2.gz BUIKMNTZRCADHS-JONQDZQNSA-N 2 1 265.445 2.076 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172104278 815293419 /nfs/dbraw/zinc/29/34/19/815293419.db2.gz BUIKMNTZRCADHS-YHUYYLMFSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCC[C@H]1CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104278 815293426 /nfs/dbraw/zinc/29/34/26/815293426.db2.gz BUIKMNTZRCADHS-YHUYYLMFSA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCC[C@H]1CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104278 815293431 /nfs/dbraw/zinc/29/34/31/815293431.db2.gz BUIKMNTZRCADHS-YHUYYLMFSA-N 2 1 265.445 2.076 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(O)c1)C2 ZINC001172103134 815294384 /nfs/dbraw/zinc/29/43/84/815294384.db2.gz SIEXOFYNCJKMDP-QKDCVEJESA-N 2 1 260.381 2.497 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(O)c1)C2 ZINC001172103134 815294388 /nfs/dbraw/zinc/29/43/88/815294388.db2.gz SIEXOFYNCJKMDP-QKDCVEJESA-N 2 1 260.381 2.497 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(O)c1)C2 ZINC001172103133 815294883 /nfs/dbraw/zinc/29/48/83/815294883.db2.gz SIEXOFYNCJKMDP-QDMKHBRRSA-N 2 1 260.381 2.497 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(O)c1)C2 ZINC001172103133 815294887 /nfs/dbraw/zinc/29/48/87/815294887.db2.gz SIEXOFYNCJKMDP-QDMKHBRRSA-N 2 1 260.381 2.497 20 0 CEADMP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172109087 815298154 /nfs/dbraw/zinc/29/81/54/815298154.db2.gz GLJSHWXLDNQTOY-ZUFZQKGWSA-N 3 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172109087 815298158 /nfs/dbraw/zinc/29/81/58/815298158.db2.gz GLJSHWXLDNQTOY-ZUFZQKGWSA-N 3 1 279.472 2.464 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccncc1F)C2 ZINC001172108308 815299191 /nfs/dbraw/zinc/29/91/91/815299191.db2.gz UDLMKVSETHKUNT-BTTYYORXSA-N 2 1 263.360 2.326 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccncc1F)C2 ZINC001172108308 815299193 /nfs/dbraw/zinc/29/91/93/815299193.db2.gz UDLMKVSETHKUNT-BTTYYORXSA-N 2 1 263.360 2.326 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001034270546 809568253 /nfs/dbraw/zinc/56/82/53/809568253.db2.gz IBSRDVDQEMJAFH-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034270546 809568257 /nfs/dbraw/zinc/56/82/57/809568257.db2.gz IBSRDVDQEMJAFH-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034270546 809568260 /nfs/dbraw/zinc/56/82/60/809568260.db2.gz IBSRDVDQEMJAFH-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034270546 809568263 /nfs/dbraw/zinc/56/82/63/809568263.db2.gz IBSRDVDQEMJAFH-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034270546 809568266 /nfs/dbraw/zinc/56/82/66/809568266.db2.gz IBSRDVDQEMJAFH-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000702640027 809572687 /nfs/dbraw/zinc/57/26/87/809572687.db2.gz IFVWZMYSDRVWQR-FPCVCCKLSA-N 2 1 266.429 2.002 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000702640027 809572691 /nfs/dbraw/zinc/57/26/91/809572691.db2.gz IFVWZMYSDRVWQR-FPCVCCKLSA-N 2 1 266.429 2.002 20 0 CEADMP CN(C1CC[NH+](C)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115160 815303183 /nfs/dbraw/zinc/30/31/83/815303183.db2.gz VOGZPESALJIITF-ZSHCYNCHSA-N 2 1 265.445 2.028 20 0 CEADMP CN(C1CC[NH+](C)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115160 815303188 /nfs/dbraw/zinc/30/31/88/815303188.db2.gz VOGZPESALJIITF-ZSHCYNCHSA-N 2 1 265.445 2.028 20 0 CEADMP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528088 809624936 /nfs/dbraw/zinc/62/49/36/809624936.db2.gz JNVXWCMAFMROPP-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](C(C)C)C1 ZINC001034538537 809628320 /nfs/dbraw/zinc/62/83/20/809628320.db2.gz OVPYYLBQSPWVSP-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](C(C)C)C1 ZINC001034538537 809628323 /nfs/dbraw/zinc/62/83/23/809628323.db2.gz OVPYYLBQSPWVSP-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001034539226 809628729 /nfs/dbraw/zinc/62/87/29/809628729.db2.gz YKVKCZNQYYBRMQ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001034539226 809628734 /nfs/dbraw/zinc/62/87/34/809628734.db2.gz YKVKCZNQYYBRMQ-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@@](C)(O)C1)C2 ZINC001172117548 815305331 /nfs/dbraw/zinc/30/53/31/815305331.db2.gz HQKSLUJLKQVKJR-FXUDXRNXSA-N 2 1 266.429 2.239 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC[C@@](C)(O)C1)C2 ZINC001172117548 815305337 /nfs/dbraw/zinc/30/53/37/815305337.db2.gz HQKSLUJLKQVKJR-FXUDXRNXSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@](C)(O)C1)C2 ZINC001172117548 815305344 /nfs/dbraw/zinc/30/53/44/815305344.db2.gz HQKSLUJLKQVKJR-FXUDXRNXSA-N 2 1 266.429 2.239 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@@](C)(O)C1)C2 ZINC001172117548 815305351 /nfs/dbraw/zinc/30/53/51/815305351.db2.gz HQKSLUJLKQVKJR-FXUDXRNXSA-N 2 1 266.429 2.239 20 0 CEADMP CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001034646319 809650829 /nfs/dbraw/zinc/65/08/29/809650829.db2.gz FULCIPBJVQGZGH-JYJNAYRXSA-N 2 1 295.471 2.286 20 0 CEADMP CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001034715211 809672377 /nfs/dbraw/zinc/67/23/77/809672377.db2.gz LCXXUVQAHGZXRW-VGWMRTNUSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H]1CC[C@H](CO)C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172120786 815309293 /nfs/dbraw/zinc/30/92/93/815309293.db2.gz MYZGTIGWKLJQNG-DGADGQDISA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[C@H](CO)C[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120786 815309301 /nfs/dbraw/zinc/30/93/01/815309301.db2.gz MYZGTIGWKLJQNG-DGADGQDISA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[C@H](CO)C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172120786 815309307 /nfs/dbraw/zinc/30/93/07/815309307.db2.gz MYZGTIGWKLJQNG-DGADGQDISA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172120786 815309314 /nfs/dbraw/zinc/30/93/14/815309314.db2.gz MYZGTIGWKLJQNG-DGADGQDISA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[C@H](CO)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172120786 815309320 /nfs/dbraw/zinc/30/93/20/815309320.db2.gz MYZGTIGWKLJQNG-DGADGQDISA-N 2 1 266.429 2.095 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCOCC13CCC3)C2 ZINC001172121305 815309421 /nfs/dbraw/zinc/30/94/21/815309421.db2.gz DLEXKEYVGZIAOI-FICVDOATSA-N 2 1 264.413 2.257 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCOCC13CCC3)C2 ZINC001172121305 815309428 /nfs/dbraw/zinc/30/94/28/815309428.db2.gz DLEXKEYVGZIAOI-FICVDOATSA-N 2 1 264.413 2.257 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCOCC13CCC3)C2 ZINC001172121305 815309434 /nfs/dbraw/zinc/30/94/34/815309434.db2.gz DLEXKEYVGZIAOI-FICVDOATSA-N 2 1 264.413 2.257 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@](O)(C(F)(F)F)C1)C2 ZINC001172120437 815309967 /nfs/dbraw/zinc/30/99/67/815309967.db2.gz KUOSHMDXBVRLRQ-RNJOBUHISA-N 2 1 292.345 2.001 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@](O)(C(F)(F)F)C1)C2 ZINC001172120437 815309973 /nfs/dbraw/zinc/30/99/73/815309973.db2.gz KUOSHMDXBVRLRQ-RNJOBUHISA-N 2 1 292.345 2.001 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@](O)(C(F)(F)F)C1)C2 ZINC001172120437 815309979 /nfs/dbraw/zinc/30/99/79/815309979.db2.gz KUOSHMDXBVRLRQ-RNJOBUHISA-N 2 1 292.345 2.001 20 0 CEADMP CC[N@H+]1CC[C@H](CNCc2ccc(Cl)cn2)C1 ZINC000703888037 809702556 /nfs/dbraw/zinc/70/25/56/809702556.db2.gz ZSAZAXMZSAGMCX-LLVKDONJSA-N 2 1 253.777 2.166 20 0 CEADMP CC(C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001035069632 809741164 /nfs/dbraw/zinc/74/11/64/809741164.db2.gz CDFKSTVANWKNSV-HZPDHXFCSA-N 2 1 295.471 2.238 20 0 CEADMP C([NH2+][C@H](C1CC1)C1CCC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000705299276 809777888 /nfs/dbraw/zinc/77/78/88/809777888.db2.gz LSSVRLHIUIXHJR-XHSDSOJGSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+][C@H](C1CC1)C1CCC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000705299276 809777891 /nfs/dbraw/zinc/77/78/91/809777891.db2.gz LSSVRLHIUIXHJR-XHSDSOJGSA-N 2 1 264.413 2.018 20 0 CEADMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H](O)CC3CCCC3)C[C@]2(C)C1 ZINC000705682195 809785678 /nfs/dbraw/zinc/78/56/78/809785678.db2.gz VCFKLRWOZONYET-ZACQAIPSSA-N 2 1 280.456 2.201 20 0 CEADMP C[N@H+]1C[C@]2(C)C[NH+](C[C@H](O)CC3CCCC3)C[C@]2(C)C1 ZINC000705682195 809785683 /nfs/dbraw/zinc/78/56/83/809785683.db2.gz VCFKLRWOZONYET-ZACQAIPSSA-N 2 1 280.456 2.201 20 0 CEADMP C[NH+]1C[C@]2(C)C[N@H+](C[C@H](O)CC3CCCC3)C[C@]2(C)C1 ZINC000705682195 809785685 /nfs/dbraw/zinc/78/56/85/809785685.db2.gz VCFKLRWOZONYET-ZACQAIPSSA-N 2 1 280.456 2.201 20 0 CEADMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H](O)CC3CCCC3)C[C@]2(C)C1 ZINC000705682195 809785690 /nfs/dbraw/zinc/78/56/90/809785690.db2.gz VCFKLRWOZONYET-ZACQAIPSSA-N 2 1 280.456 2.201 20 0 CEADMP CC(C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001036417094 809900004 /nfs/dbraw/zinc/90/00/04/809900004.db2.gz WZROAIQVPOXCAU-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC1(C)CO[C@H](C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000708340522 809926804 /nfs/dbraw/zinc/92/68/04/809926804.db2.gz KDSKSTBXSKOJQA-KKUMJFAQSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000708340522 809926807 /nfs/dbraw/zinc/92/68/07/809926807.db2.gz KDSKSTBXSKOJQA-KKUMJFAQSA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)C[C@@H]2CCOC2)C1 ZINC000709670573 809949756 /nfs/dbraw/zinc/94/97/56/809949756.db2.gz BEQDMVDCCLDWKL-ILXRZTDVSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000709701372 809952900 /nfs/dbraw/zinc/95/29/00/809952900.db2.gz DOTBXGLSLHWHNL-YNEHKIRRSA-N 2 1 254.418 2.249 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000709688962 809953276 /nfs/dbraw/zinc/95/32/76/809953276.db2.gz URNVMPOMUDLFDN-CHWSQXEVSA-N 2 1 254.418 2.121 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CCC[C@@H](C[NH3+])C2)C(C)(C)O1 ZINC000709702793 809953758 /nfs/dbraw/zinc/95/37/58/809953758.db2.gz PJYJXLPEUTWYDU-QWHCGFSZSA-N 2 1 254.418 2.251 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C(C)(C)O1 ZINC000709704090 809954626 /nfs/dbraw/zinc/95/46/26/809954626.db2.gz XLSKCTSAKFRFNE-MJBXVCDLSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@]1(C(F)(F)F)CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000709635250 809968111 /nfs/dbraw/zinc/96/81/11/809968111.db2.gz NYBRDGRCOZFJIH-LLVKDONJSA-N 2 1 250.308 2.403 20 0 CEADMP C[C@@]1(C(F)(F)F)CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000709635250 809968107 /nfs/dbraw/zinc/96/81/07/809968107.db2.gz NYBRDGRCOZFJIH-LLVKDONJSA-N 2 1 250.308 2.403 20 0 CEADMP CCC(CC)C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709798159 809970732 /nfs/dbraw/zinc/97/07/32/809970732.db2.gz FJIHBLHHBIOLSU-GHMZBOCLSA-N 2 1 252.324 2.492 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711533311 810082769 /nfs/dbraw/zinc/08/27/69/810082769.db2.gz IIXDWJNPPXXYJP-OKILXGFUSA-N 2 1 254.443 2.061 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000923361612 810089371 /nfs/dbraw/zinc/08/93/71/810089371.db2.gz HRZQNLLPTUIIFD-KZNAEPCWSA-N 2 1 288.435 2.350 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@@H](O)c1ccc(F)cc1)CC[NH2+]CC2 ZINC000923384475 810090600 /nfs/dbraw/zinc/09/06/00/810090600.db2.gz YMVPVIFKJAYCHL-CZUORRHYSA-N 2 1 292.398 2.323 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@H](O)c1ccc(F)cc1)CC[NH2+]CC2 ZINC000923384474 810090814 /nfs/dbraw/zinc/09/08/14/810090814.db2.gz YMVPVIFKJAYCHL-CJNGLKHVSA-N 2 1 292.398 2.323 20 0 CEADMP CC(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015504588 810297636 /nfs/dbraw/zinc/29/76/36/810297636.db2.gz PPOUDFYBBZQGJA-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP COCCCN1CCC([N@@H+](C)CCc2ccncc2)CC1 ZINC001172253767 815360818 /nfs/dbraw/zinc/36/08/18/815360818.db2.gz BUJAXGZEIDGNNE-UHFFFAOYSA-N 2 1 291.439 2.057 20 0 CEADMP COCCC[NH+]1CCC([N@H+](C)CCc2ccncc2)CC1 ZINC001172253767 815360825 /nfs/dbraw/zinc/36/08/25/815360825.db2.gz BUJAXGZEIDGNNE-UHFFFAOYSA-N 2 1 291.439 2.057 20 0 CEADMP COCCC[NH+]1CCC([NH+]2CCC(OC(C)C)CC2)CC1 ZINC001172256158 815361158 /nfs/dbraw/zinc/36/11/58/815361158.db2.gz REVGITVNSXZWKW-UHFFFAOYSA-N 2 1 298.471 2.377 20 0 CEADMP CC[C@@H](C)OCC[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC001172315050 815367365 /nfs/dbraw/zinc/36/73/65/815367365.db2.gz AYPPSMZAUYKZGY-CHWSQXEVSA-N 2 1 253.390 2.375 20 0 CEADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172359470 815402450 /nfs/dbraw/zinc/40/24/50/815402450.db2.gz NEFYGZFYLPQIAB-REWJHTLYSA-N 2 1 270.417 2.071 20 0 CEADMP C[N@@H+](Cc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc1)C1CC1 ZINC001154987795 810885325 /nfs/dbraw/zinc/88/53/25/810885325.db2.gz OCHRBJMBFDHWCD-ZIAGYGMSSA-N 2 1 274.412 2.358 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000381934072 811113792 /nfs/dbraw/zinc/11/37/92/811113792.db2.gz SYTONRMAANOYFO-HNNXBMFYSA-N 2 1 262.397 2.264 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CCc2ccsc2[C@@H]1C ZINC000712302361 811183475 /nfs/dbraw/zinc/18/34/75/811183475.db2.gz XODBQWMRJGQMCM-GXTWGEPZSA-N 2 1 282.453 2.368 20 0 CEADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CCC(C)(C)C)C1 ZINC001043099867 811349959 /nfs/dbraw/zinc/34/99/59/811349959.db2.gz QYIRYUXQQHMVKQ-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CCC[C@@H]1C[NH3+] ZINC001205997025 811351283 /nfs/dbraw/zinc/35/12/83/811351283.db2.gz YSEFGHLXDSOKKC-CZUORRHYSA-N 2 1 274.408 2.428 20 0 CEADMP CC(C)OCC[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001172452136 815441888 /nfs/dbraw/zinc/44/18/88/815441888.db2.gz XXHYWGFTWFOKLV-CQSZACIVSA-N 2 1 256.434 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc3c(c1)OCO3)C2 ZINC001169081326 811376117 /nfs/dbraw/zinc/37/61/17/811376117.db2.gz RFOCPXOVMRHKTJ-QDMKHBRRSA-N 2 1 288.391 2.173 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001169091884 811381664 /nfs/dbraw/zinc/38/16/64/811381664.db2.gz WZHCWIFDHQGKDU-MUJYYYPQSA-N 2 1 288.391 2.188 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169091884 811381673 /nfs/dbraw/zinc/38/16/73/811381673.db2.gz WZHCWIFDHQGKDU-MUJYYYPQSA-N 2 1 288.391 2.188 20 0 CEADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172457156 815444622 /nfs/dbraw/zinc/44/46/22/815444622.db2.gz RVTHRQQNYWGSJT-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)OCC[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001172457156 815444624 /nfs/dbraw/zinc/44/46/24/815444624.db2.gz RVTHRQQNYWGSJT-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)OCC[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001172457156 815444627 /nfs/dbraw/zinc/44/46/27/815444627.db2.gz RVTHRQQNYWGSJT-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001169136878 811402075 /nfs/dbraw/zinc/40/20/75/811402075.db2.gz BGIMFMZNAPCESK-RGGMIXCSSA-N 2 1 278.440 2.359 20 0 CEADMP CO[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C[C@@H]21 ZINC001169136878 811402078 /nfs/dbraw/zinc/40/20/78/811402078.db2.gz BGIMFMZNAPCESK-RGGMIXCSSA-N 2 1 278.440 2.359 20 0 CEADMP CO[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C[C@@H]21 ZINC001169136878 811402081 /nfs/dbraw/zinc/40/20/81/811402081.db2.gz BGIMFMZNAPCESK-RGGMIXCSSA-N 2 1 278.440 2.359 20 0 CEADMP C[N@@H+](CCc1ccncc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140740 811405373 /nfs/dbraw/zinc/40/53/73/811405373.db2.gz LREFSZQDFQZXAZ-MUJYYYPQSA-N 2 1 259.397 2.181 20 0 CEADMP C[NH+](CCc1ccncc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169140740 811405375 /nfs/dbraw/zinc/40/53/75/811405375.db2.gz LREFSZQDFQZXAZ-MUJYYYPQSA-N 2 1 259.397 2.181 20 0 CEADMP C[NH+](CCc1ccncc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140740 811405378 /nfs/dbraw/zinc/40/53/78/811405378.db2.gz LREFSZQDFQZXAZ-MUJYYYPQSA-N 2 1 259.397 2.181 20 0 CEADMP CO[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169143339 811409323 /nfs/dbraw/zinc/40/93/23/811409323.db2.gz FHPBFPLUILLHTL-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169143339 811409330 /nfs/dbraw/zinc/40/93/30/811409330.db2.gz FHPBFPLUILLHTL-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169143339 811409333 /nfs/dbraw/zinc/40/93/33/811409333.db2.gz FHPBFPLUILLHTL-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP CCOCC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169148072 811413207 /nfs/dbraw/zinc/41/32/07/811413207.db2.gz XQVFMRJVFGYHGD-MUJYYYPQSA-N 2 1 266.429 2.360 20 0 CEADMP CCC(CC)C[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001043874230 811413472 /nfs/dbraw/zinc/41/34/72/811413472.db2.gz FEJYURSWNMEBRL-AWEZNQCLSA-N 2 1 295.471 2.050 20 0 CEADMP Cn1ccc(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC001169152626 811415367 /nfs/dbraw/zinc/41/53/67/811415367.db2.gz CTOMBOYWBWMKNJ-ZSHCYNCHSA-N 2 1 288.439 2.225 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](CCO)c2cccc(OC)c2)CC1 ZINC001169221879 811434994 /nfs/dbraw/zinc/43/49/94/811434994.db2.gz QXUFCZXLLGICEN-QGZVFWFLSA-N 2 1 292.423 2.193 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2cccc(N(C)C(C)=O)c2)CC1 ZINC001169221840 811435571 /nfs/dbraw/zinc/43/55/71/811435571.db2.gz PMLDAVGNQRPAPF-UHFFFAOYSA-N 2 1 289.423 2.243 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CCCCO3)CC1 ZINC001169245158 811460148 /nfs/dbraw/zinc/46/01/48/811460148.db2.gz ARYMPKSXKWALOK-OAHLLOKOSA-N 2 1 252.402 2.116 20 0 CEADMP CC[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCCO3)CC1 ZINC001169245158 811460154 /nfs/dbraw/zinc/46/01/54/811460154.db2.gz ARYMPKSXKWALOK-OAHLLOKOSA-N 2 1 252.402 2.116 20 0 CEADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3sccc3C)C[C@@H]2C1 ZINC001204023301 811464133 /nfs/dbraw/zinc/46/41/33/811464133.db2.gz FVVUQXLPTGWZKW-BETUJISGSA-N 2 1 250.411 2.440 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3sccc3C)C[C@@H]2C1 ZINC001204023301 811464137 /nfs/dbraw/zinc/46/41/37/811464137.db2.gz FVVUQXLPTGWZKW-BETUJISGSA-N 2 1 250.411 2.440 20 0 CEADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3sccc3C)C[C@@H]2C1 ZINC001204023301 811464139 /nfs/dbraw/zinc/46/41/39/811464139.db2.gz FVVUQXLPTGWZKW-BETUJISGSA-N 2 1 250.411 2.440 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(C)n1 ZINC001206013775 811586218 /nfs/dbraw/zinc/58/62/18/811586218.db2.gz UFRCFMUNFUJWCB-TZMCWYRMSA-N 2 1 277.412 2.205 20 0 CEADMP [NH3+]C[C@@]1([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CN2CCC1CC2 ZINC001172555272 815460531 /nfs/dbraw/zinc/46/05/31/815460531.db2.gz GXOZCULXFXNDLV-NZSAHSFTSA-N 2 1 299.462 2.335 20 0 CEADMP COc1c[nH+]c(NCC23CC[NH+](CC2)CC3)cc1C ZINC001169795594 811674121 /nfs/dbraw/zinc/67/41/21/811674121.db2.gz PSKRNPNYINSUIU-UHFFFAOYSA-N 2 1 261.369 2.296 20 0 CEADMP CCOc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1F ZINC001206023311 811699286 /nfs/dbraw/zinc/69/92/86/811699286.db2.gz FUPFTXSSXJASDK-JSGCOSHPSA-N 2 1 295.402 2.426 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c(F)ccc(O)c2F)CCC[C@H]1C[NH3+] ZINC001206024882 811706377 /nfs/dbraw/zinc/70/63/77/811706377.db2.gz LOTXJAWWVIFMQI-MNOVXSKESA-N 2 1 284.350 2.477 20 0 CEADMP CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CCC)C2 ZINC001108804756 811769477 /nfs/dbraw/zinc/76/94/77/811769477.db2.gz XJQZHJJLZGFIOP-XHSDSOJGSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001172613966 815474128 /nfs/dbraw/zinc/47/41/28/815474128.db2.gz BGTBSGMTGGKOMK-HIFRSBDPSA-N 2 1 282.428 2.134 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001172613966 815474130 /nfs/dbraw/zinc/47/41/30/815474130.db2.gz BGTBSGMTGGKOMK-HIFRSBDPSA-N 2 1 282.428 2.134 20 0 CEADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)CCO1 ZINC001204090846 815477139 /nfs/dbraw/zinc/47/71/39/815477139.db2.gz YJVDCJUZADTDIT-NPJQDHAYSA-N 2 1 266.429 2.120 20 0 CEADMP CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC)C(C)C ZINC001109859996 811961211 /nfs/dbraw/zinc/96/12/11/811961211.db2.gz FDLCBLRTYGJNFU-FXUDXRNXSA-N 2 1 295.471 2.094 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](CCC[NH3+])C(C)C)CC1 ZINC001172768006 815513085 /nfs/dbraw/zinc/51/30/85/815513085.db2.gz NIQQMQWOUHMWPF-KGLIPLIRSA-N 2 1 270.417 2.168 20 0 CEADMP CCC/C=C/CC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001113686831 812302167 /nfs/dbraw/zinc/30/21/67/812302167.db2.gz XLOHKUVSVMXMFX-BQYQJAHWSA-N 2 1 295.471 2.217 20 0 CEADMP CCC/C=C/CC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113686831 812302175 /nfs/dbraw/zinc/30/21/75/812302175.db2.gz XLOHKUVSVMXMFX-BQYQJAHWSA-N 2 1 295.471 2.217 20 0 CEADMP CC[C@@H]1C[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)CCO1 ZINC001170234915 812349907 /nfs/dbraw/zinc/34/99/07/812349907.db2.gz JOPGGYFUKSOAJL-ZIAGYGMSSA-N 2 1 263.385 2.480 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC[C@@](O)(C(F)(F)F)C2)CC1 ZINC001254515907 812436284 /nfs/dbraw/zinc/43/62/84/812436284.db2.gz GJWYMLSRTFSWPI-OLZOCXBDSA-N 2 1 294.361 2.250 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052716512 812450133 /nfs/dbraw/zinc/45/01/33/812450133.db2.gz NVWFKEQTOKDRIX-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001052716512 812450138 /nfs/dbraw/zinc/45/01/38/812450138.db2.gz NVWFKEQTOKDRIX-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001052716512 812450141 /nfs/dbraw/zinc/45/01/41/812450141.db2.gz NVWFKEQTOKDRIX-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052717068 812452131 /nfs/dbraw/zinc/45/21/31/812452131.db2.gz SCAYIFQPFVPSAW-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001052717068 812452135 /nfs/dbraw/zinc/45/21/35/812452135.db2.gz SCAYIFQPFVPSAW-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052717068 812452138 /nfs/dbraw/zinc/45/21/38/812452138.db2.gz SCAYIFQPFVPSAW-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001172801201 815531998 /nfs/dbraw/zinc/53/19/98/815531998.db2.gz FUDIRHUKWSRHQV-LSDHHAIUSA-N 2 1 294.439 2.278 20 0 CEADMP Cc1ccc2c(c1)C[C@H](n1c[nH+]cc1CC[NH3+])CC2 ZINC001172823913 815527439 /nfs/dbraw/zinc/52/74/39/815527439.db2.gz MMXLKDBVHJWAQQ-OAHLLOKOSA-N 2 1 255.365 2.423 20 0 CEADMP CCC/C=C/CC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129842266 812513197 /nfs/dbraw/zinc/51/31/97/812513197.db2.gz VIQUKCBQVADSSL-JFDDCEBESA-N 2 1 295.471 2.313 20 0 CEADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001130300593 812554502 /nfs/dbraw/zinc/55/45/02/812554502.db2.gz RZZXRHVHZGROKZ-MRXNPFEDSA-N 2 1 293.455 2.067 20 0 CEADMP COC(=O)c1c(C)cc(C)[nH+]c1NCC(C)(C)C[NH+](C)C ZINC001157942009 812556365 /nfs/dbraw/zinc/55/63/65/812556365.db2.gz JNYAGQYWFKNHOR-UHFFFAOYSA-N 2 1 293.411 2.485 20 0 CEADMP CC/C=C\CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130710785 812600666 /nfs/dbraw/zinc/60/06/66/812600666.db2.gz FBOYFTAFGVGXRK-OGZRUICASA-N 2 1 295.471 2.169 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130713216 812600702 /nfs/dbraw/zinc/60/07/02/812600702.db2.gz HGLGBHRHNGWKDT-MRXNPFEDSA-N 2 1 297.487 2.249 20 0 CEADMP CC(C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158099946 812607382 /nfs/dbraw/zinc/60/73/82/812607382.db2.gz TVEOFLZDGJAXRL-OAHLLOKOSA-N 2 1 295.471 2.145 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+](C)CC2CC[NH+](C(C)C)CC2)C1 ZINC001170549371 812652960 /nfs/dbraw/zinc/65/29/60/812652960.db2.gz JUPZGXKPERNCHI-HZPDHXFCSA-N 2 1 296.455 2.380 20 0 CEADMP C[C@@H](Nc1cc(C(C)(C)C)cc[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001170575131 812698374 /nfs/dbraw/zinc/69/83/74/812698374.db2.gz OHZSQUHHIMSRRB-DGCLKSJQSA-N 2 1 263.385 2.168 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4ccc(F)cc34)C[C@@H]2C1 ZINC001137341662 812700906 /nfs/dbraw/zinc/70/09/06/812700906.db2.gz VMKYNICAGLRSTG-BETUJISGSA-N 2 1 273.355 2.300 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4ccc(F)cc34)C[C@@H]2C1 ZINC001137341662 812700910 /nfs/dbraw/zinc/70/09/10/812700910.db2.gz VMKYNICAGLRSTG-BETUJISGSA-N 2 1 273.355 2.300 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]c4ccc(F)cc34)C[C@@H]2C1 ZINC001137341662 812700915 /nfs/dbraw/zinc/70/09/15/812700915.db2.gz VMKYNICAGLRSTG-BETUJISGSA-N 2 1 273.355 2.300 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]c4ccc(F)cc34)C[C@@H]2C1 ZINC001137341662 812700919 /nfs/dbraw/zinc/70/09/19/812700919.db2.gz VMKYNICAGLRSTG-BETUJISGSA-N 2 1 273.355 2.300 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)C1 ZINC001172935189 815552311 /nfs/dbraw/zinc/55/23/11/815552311.db2.gz KKKDICNOHPPBBE-KGLIPLIRSA-N 2 1 295.427 2.074 20 0 CEADMP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001050368437 812810641 /nfs/dbraw/zinc/81/06/41/812810641.db2.gz WLIDLXFOOAZZMF-BZUAXINKSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@H+]1CC1CCCC1 ZINC001132266507 812813299 /nfs/dbraw/zinc/81/32/99/812813299.db2.gz XSQICKYIVIZPLS-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132265065 812813433 /nfs/dbraw/zinc/81/34/33/812813433.db2.gz HQQSCKGVHQGGKT-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC(C)C)C1 ZINC001132435887 812850920 /nfs/dbraw/zinc/85/09/20/812850920.db2.gz HMVHNUJCMCVUCA-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(C)C)C1 ZINC001132435887 812850938 /nfs/dbraw/zinc/85/09/38/812850938.db2.gz HMVHNUJCMCVUCA-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(C)C)C1 ZINC001132435887 812850946 /nfs/dbraw/zinc/85/09/46/812850946.db2.gz HMVHNUJCMCVUCA-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CCCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132519119 812873783 /nfs/dbraw/zinc/87/37/83/812873783.db2.gz SQAWLIOCUYBJCK-JKSUJKDBSA-N 2 1 297.487 2.486 20 0 CEADMP CCCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132519119 812873790 /nfs/dbraw/zinc/87/37/90/812873790.db2.gz SQAWLIOCUYBJCK-JKSUJKDBSA-N 2 1 297.487 2.486 20 0 CEADMP CCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132519119 812873796 /nfs/dbraw/zinc/87/37/96/812873796.db2.gz SQAWLIOCUYBJCK-JKSUJKDBSA-N 2 1 297.487 2.486 20 0 CEADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CCCC2CCC2)CC[N@H+]1C ZINC001132893094 812956370 /nfs/dbraw/zinc/95/63/70/812956370.db2.gz KDZLVNOIMSRXAT-HOCLYGCPSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](C(C)C)CC1 ZINC001052367884 812982579 /nfs/dbraw/zinc/98/25/79/812982579.db2.gz CTWUHZZKRLXBKQ-HZPDHXFCSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC001052367884 812982586 /nfs/dbraw/zinc/98/25/86/812982586.db2.gz CTWUHZZKRLXBKQ-HZPDHXFCSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC001052367884 812982590 /nfs/dbraw/zinc/98/25/90/812982590.db2.gz CTWUHZZKRLXBKQ-HZPDHXFCSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052368997 812983652 /nfs/dbraw/zinc/98/36/52/812983652.db2.gz OKSJSSLSASRTKO-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052368997 812983656 /nfs/dbraw/zinc/98/36/56/812983656.db2.gz OKSJSSLSASRTKO-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052368997 812983662 /nfs/dbraw/zinc/98/36/62/812983662.db2.gz OKSJSSLSASRTKO-CVEARBPZSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170670500 813012762 /nfs/dbraw/zinc/01/27/62/813012762.db2.gz RXAHUTHQGXHJRQ-ZWNOBZJWSA-N 2 1 268.351 2.349 20 0 CEADMP CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133275348 813022240 /nfs/dbraw/zinc/02/22/40/813022240.db2.gz RPYIAMMFJZEUSV-CVEARBPZSA-N 2 1 297.487 2.203 20 0 CEADMP Cc1ccc2c(CC[NH3+])cn([C@@H]3CC[N@H+](C)C3)c2c1 ZINC001255411848 813085602 /nfs/dbraw/zinc/08/56/02/813085602.db2.gz LONPKDYSOXFKCQ-CQSZACIVSA-N 2 1 257.381 2.328 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3cc(Cl)ncc23)CC[C@@H]1F ZINC001206189542 815575067 /nfs/dbraw/zinc/57/50/67/815575067.db2.gz XHMGZQLWNKUEKR-NWDGAFQWSA-N 2 1 296.777 2.478 20 0 CEADMP c1ccc(COC[C@H]2CC[N@H+](C[C@H]3CCC[NH2+]3)C2)cc1 ZINC000384053253 813111095 /nfs/dbraw/zinc/11/10/95/813111095.db2.gz VULMVZVWXRSWCS-DLBZAZTESA-N 2 1 274.408 2.277 20 0 CEADMP c1ccc(COC[C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]3)C2)cc1 ZINC000384053253 813111099 /nfs/dbraw/zinc/11/10/99/813111099.db2.gz VULMVZVWXRSWCS-DLBZAZTESA-N 2 1 274.408 2.277 20 0 CEADMP CCCOC1CCC(N2CC[NH+](CCCC[NH3+])CC2)CC1 ZINC001173096027 815577590 /nfs/dbraw/zinc/57/75/90/815577590.db2.gz JCUZESNOQMXFKJ-UHFFFAOYSA-N 2 1 297.487 2.081 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133908400 813175256 /nfs/dbraw/zinc/17/52/56/813175256.db2.gz PSDCWQWKVDBQMY-UHFFFAOYSA-N 2 1 285.476 2.250 20 0 CEADMP CC(C)C[C@@H](C)C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133906147 813175308 /nfs/dbraw/zinc/17/53/08/813175308.db2.gz NYXIUFFRKRQYOB-OAHLLOKOSA-N 2 1 299.503 2.352 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](C)COCc2ccccc2)C1 ZINC000390080398 813259079 /nfs/dbraw/zinc/25/90/79/813259079.db2.gz AACOAKAJDWDNPM-DOTOQJQBSA-N 2 1 276.424 2.381 20 0 CEADMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]CCC1CC1 ZINC001134607696 813298019 /nfs/dbraw/zinc/29/80/19/813298019.db2.gz JWLXMNMVIBIRHO-KGLIPLIRSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608236 813298759 /nfs/dbraw/zinc/29/87/59/813298759.db2.gz SQUYBBQBNJULSR-GJZGRUSLSA-N 2 1 297.487 2.390 20 0 CEADMP CC(C)(C)CC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135102484 813365887 /nfs/dbraw/zinc/36/58/87/813365887.db2.gz FAFRQACUCZMAAE-LSDHHAIUSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+]CCCC(C)C ZINC001135307444 813403206 /nfs/dbraw/zinc/40/32/06/813403206.db2.gz XTOHJUOWTANCPF-UHFFFAOYSA-N 2 1 294.443 2.114 20 0 CEADMP C[C@@H](C[C@H](C)[NH2+]CC1CC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135466822 813441712 /nfs/dbraw/zinc/44/17/12/813441712.db2.gz AMKSPKRCJCBKNO-KBPBESRZSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000396536398 813572550 /nfs/dbraw/zinc/57/25/50/813572550.db2.gz JDYYQGCMMWECCU-WBVHZDCISA-N 2 1 275.440 2.239 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC1 ZINC001135995598 813581897 /nfs/dbraw/zinc/58/18/97/813581897.db2.gz IISNMVPSRLABSJ-CABCVRRESA-N 2 1 297.487 2.391 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000397287078 813610166 /nfs/dbraw/zinc/61/01/66/813610166.db2.gz VJHLCCPNNLOPOQ-RRCSTGOVSA-N 2 1 262.397 2.025 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246171031 813719598 /nfs/dbraw/zinc/71/95/98/813719598.db2.gz PNPIKMQECITRBR-QKPAOTATSA-N 2 1 267.461 2.085 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001074063007 813800771 /nfs/dbraw/zinc/80/07/71/813800771.db2.gz DNVMVTXGWMVGPX-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001074063007 813800779 /nfs/dbraw/zinc/80/07/79/813800779.db2.gz DNVMVTXGWMVGPX-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001074063007 813800788 /nfs/dbraw/zinc/80/07/88/813800788.db2.gz DNVMVTXGWMVGPX-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@]1([NH2+][C@@H](C)Cc2ccccc2F)CC[NH2+]C1 ZINC001246467220 813854747 /nfs/dbraw/zinc/85/47/47/813854747.db2.gz YWAOVFZAQXJNPL-SWLSCSKDSA-N 2 1 250.361 2.488 20 0 CEADMP [NH3+]CC1([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171113985 813885901 /nfs/dbraw/zinc/88/59/01/813885901.db2.gz YDEGBJAYTWFSOJ-CYBMUJFWSA-N 2 1 250.773 2.278 20 0 CEADMP C[C@H](Cc1ccccn1)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246545694 813975340 /nfs/dbraw/zinc/97/53/40/813975340.db2.gz CLKKZJWCNRIYSZ-HIFRSBDPSA-N 2 1 265.376 2.166 20 0 CEADMP CN1CCC([N@@H+](C)Cc2ccc3cc[nH]c3n2)CC1 ZINC001144169229 813980396 /nfs/dbraw/zinc/98/03/96/813980396.db2.gz BCSPCKNFFOEXLX-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP CN(Cc1ccc2cc[nH]c2n1)C1CC[NH+](C)CC1 ZINC001144169229 813980402 /nfs/dbraw/zinc/98/04/02/813980402.db2.gz BCSPCKNFFOEXLX-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP C[C@@H]1CC[C@H](C[NH3+])N(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001246555765 814030391 /nfs/dbraw/zinc/03/03/91/814030391.db2.gz HTKFRIRVKDTVSU-IWQYDBTJSA-N 2 1 265.445 2.061 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246559156 814041126 /nfs/dbraw/zinc/04/11/26/814041126.db2.gz ONYJAPHIQNBDFG-ILXRZTDVSA-N 2 1 284.444 2.415 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC001246564592 814052831 /nfs/dbraw/zinc/05/28/31/814052831.db2.gz YASFTSIAWZRITA-KBXIAJHMSA-N 2 1 282.428 2.025 20 0 CEADMP COC1CCC([N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC001246570805 814089434 /nfs/dbraw/zinc/08/94/34/814089434.db2.gz VZKZOYMEKGWWAW-HESLUPGFSA-N 2 1 254.418 2.251 20 0 CEADMP CCOC(=O)CC[C@@H](C)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246572072 814097681 /nfs/dbraw/zinc/09/76/81/814097681.db2.gz DEAJWHLWMILNRV-HIFRSBDPSA-N 2 1 270.417 2.169 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)CC1 ZINC001246572940 814106154 /nfs/dbraw/zinc/10/61/54/814106154.db2.gz DRUJLCDSUMHVNN-AQFXKWCLSA-N 3 1 279.472 2.360 20 0 CEADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001246577301 814123260 /nfs/dbraw/zinc/12/32/60/814123260.db2.gz NYQWYLIOLJVLNJ-INIZCTEOSA-N 3 1 267.461 2.310 20 0 CEADMP CC(C)N1CCC([N@@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001246577301 814123265 /nfs/dbraw/zinc/12/32/65/814123265.db2.gz NYQWYLIOLJVLNJ-INIZCTEOSA-N 2 1 267.461 2.310 20 0 CEADMP CC(C)N1CCC([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC1 ZINC001246577301 814123269 /nfs/dbraw/zinc/12/32/69/814123269.db2.gz NYQWYLIOLJVLNJ-INIZCTEOSA-N 2 1 267.461 2.310 20 0 CEADMP C[N@H+](C1CC1)[C@@H]1CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144625504 814128918 /nfs/dbraw/zinc/12/89/18/814128918.db2.gz NOFODZHJHIZAKC-CQSZACIVSA-N 2 1 270.380 2.003 20 0 CEADMP C[N@@H+](C1CC1)[C@@H]1CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144625504 814128921 /nfs/dbraw/zinc/12/89/21/814128921.db2.gz NOFODZHJHIZAKC-CQSZACIVSA-N 2 1 270.380 2.003 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC[C@H](C[NH3+])C1)C2 ZINC001246584213 814163900 /nfs/dbraw/zinc/16/39/00/814163900.db2.gz SYWOQLJCNPOLAO-WCVJEAGWSA-N 2 1 265.445 2.063 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCC[C@H](C[NH3+])C1)C2 ZINC001246584213 814163906 /nfs/dbraw/zinc/16/39/06/814163906.db2.gz SYWOQLJCNPOLAO-WCVJEAGWSA-N 2 1 265.445 2.063 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCC[C@H](C[NH3+])C1)C2 ZINC001246584213 814163912 /nfs/dbraw/zinc/16/39/12/814163912.db2.gz SYWOQLJCNPOLAO-WCVJEAGWSA-N 2 1 265.445 2.063 20 0 CEADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCc3ncsc3C2)C1 ZINC001246592695 814184350 /nfs/dbraw/zinc/18/43/50/814184350.db2.gz LCHQWKFYQDCEAV-IUODEOHRSA-N 2 1 279.453 2.451 20 0 CEADMP C[NH2+]C1CCC([N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)CC1 ZINC001246647786 814243206 /nfs/dbraw/zinc/24/32/06/814243206.db2.gz UDNCRDGERYGPEZ-JCYILVPMSA-N 3 1 279.472 2.371 20 0 CEADMP CCCC1CCC([N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)CC1 ZINC001246867383 814315662 /nfs/dbraw/zinc/31/56/62/814315662.db2.gz HOSGATDEDKQBMH-PREGVCBESA-N 2 1 279.472 2.453 20 0 CEADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256569670 814470942 /nfs/dbraw/zinc/47/09/42/814470942.db2.gz MXTFICQUSXPHPQ-TZMCWYRMSA-N 2 1 254.418 2.095 20 0 CEADMP CC[C@H]1C[C@H]([N@H+](C2CCC2)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246977727 814479741 /nfs/dbraw/zinc/47/97/41/814479741.db2.gz QPEKPMLEMMAWLX-XJKSGUPXSA-N 3 1 265.445 2.124 20 0 CEADMP CC[C@H]1C[C@H]([N@@H+](C2CCC2)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246977727 814479744 /nfs/dbraw/zinc/47/97/44/814479744.db2.gz QPEKPMLEMMAWLX-XJKSGUPXSA-N 3 1 265.445 2.124 20 0 CEADMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC)C[C@H]1C)[NH+](CC)CC ZINC001103426526 814501355 /nfs/dbraw/zinc/50/13/55/814501355.db2.gz ARMZIKSPNBNQMF-OAGGEKHMSA-N 2 1 297.487 2.201 20 0 CEADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CCC2CCCCC2)C1 ZINC001147886471 814505741 /nfs/dbraw/zinc/50/57/41/814505741.db2.gz WZXOCCXXDYIEKI-MRXNPFEDSA-N 2 1 295.471 2.004 20 0 CEADMP CCCCCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216668 814537780 /nfs/dbraw/zinc/53/77/80/814537780.db2.gz QRIVQHNWFTYETK-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)c(F)c1F ZINC001247509479 814683705 /nfs/dbraw/zinc/68/37/05/814683705.db2.gz VSYUOJFLGTXFAY-VIFPVBQESA-N 2 1 282.294 2.062 20 0 CEADMP CC[NH+](CC)C1CCC([NH2+]CC(=O)OC(C)C)CC1 ZINC001173104258 815581583 /nfs/dbraw/zinc/58/15/83/815581583.db2.gz FQGXSHADPKIIJY-UHFFFAOYSA-N 2 1 270.417 2.181 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](OC)C2)CC1 ZINC001173110898 815583050 /nfs/dbraw/zinc/58/30/50/815583050.db2.gz ZWCUMJFVVMPKJB-NRXISQOPSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](C)CCC2OCCO2)CC1 ZINC001173113704 815584011 /nfs/dbraw/zinc/58/40/11/815584011.db2.gz CFWTXOMPQYZEJI-UHFFFAOYSA-N 2 1 284.444 2.334 20 0 CEADMP CC[NH+](CC)C1CCC(N2CC[N@H+]3CC[C@H]3C2)CC1 ZINC001173112610 815584032 /nfs/dbraw/zinc/58/40/32/815584032.db2.gz APNLXNWEWMOZEH-GPANFISMSA-N 2 1 265.445 2.029 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CCN3CC[C@H]3C2)CC1 ZINC001173112610 815584034 /nfs/dbraw/zinc/58/40/34/815584034.db2.gz APNLXNWEWMOZEH-GPANFISMSA-N 2 1 265.445 2.029 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCN3CC[C@H]3C2)CC1 ZINC001173112610 815584038 /nfs/dbraw/zinc/58/40/38/815584038.db2.gz APNLXNWEWMOZEH-GPANFISMSA-N 2 1 265.445 2.029 20 0 CEADMP CCN1C[C@@H](C)[N@H+](C2CCC([NH+](CC)CC)CC2)CC1=O ZINC001173113113 815584137 /nfs/dbraw/zinc/58/41/37/815584137.db2.gz JANUBPIZSGBSFM-QQFBHYJXSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+](C)[C@H](C)C(=O)OC)CC1 ZINC001173113676 815584170 /nfs/dbraw/zinc/58/41/70/815584170.db2.gz BPFTYMOCRVMRGB-IYXRBSQSSA-N 2 1 270.417 2.133 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCC3(CCC3)O2)C[C@@H]1C[NH3+] ZINC000712504948 814751511 /nfs/dbraw/zinc/75/15/11/814751511.db2.gz SZPCCBCOFBZQOT-CBBWQLFWSA-N 2 1 266.429 2.393 20 0 CEADMP CCC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729519 814751638 /nfs/dbraw/zinc/75/16/38/814751638.db2.gz JAHPSJXUNAGQEQ-OAHLLOKOSA-N 2 1 295.471 2.289 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CCC3(C2)CC[NH2+]CC3)O1 ZINC000714362831 814898646 /nfs/dbraw/zinc/89/86/46/814898646.db2.gz QZIKLRRBQGJXQZ-CQSZACIVSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1cccc(-c2noc([C@H]([NH3+])CCCC[NH3+])n2)c1 ZINC001247697734 814904332 /nfs/dbraw/zinc/90/43/32/814904332.db2.gz IAUXMQPICLQOCP-GFCCVEGCSA-N 2 1 260.341 2.174 20 0 CEADMP Cc1c[nH+]c(Nc2cccc(N3CC[NH+](C)CC3)c2)c(N)c1 ZINC001212710836 815604988 /nfs/dbraw/zinc/60/49/88/815604988.db2.gz UKEBXXXMXNKAPK-UHFFFAOYSA-N 2 1 297.406 2.468 20 0 CEADMP CCc1[nH]c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)c(C)[nH+]1 ZINC001203254248 815617833 /nfs/dbraw/zinc/61/78/33/815617833.db2.gz NTEVFCAMGGQXPE-DZGCQCFKSA-N 2 1 294.418 2.289 20 0 CEADMP CC[N@H+]1CC[C@@H](n2cc(CC[NH3+])c3ccccc32)C1 ZINC001173347323 815684195 /nfs/dbraw/zinc/68/41/95/815684195.db2.gz APMQZBQYIDOTOS-CQSZACIVSA-N 2 1 257.381 2.409 20 0 CEADMP CCN1CC[C@H]([NH2+]C2CCN(c3[nH+]cccc3C)CC2)C1 ZINC001173351135 815686610 /nfs/dbraw/zinc/68/66/10/815686610.db2.gz UDECQMRKRVJPBM-INIZCTEOSA-N 2 1 288.439 2.043 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001173356878 815697332 /nfs/dbraw/zinc/69/73/32/815697332.db2.gz LNNVMLHJSOMUAK-INIZCTEOSA-N 2 1 265.445 2.031 20 0 CEADMP CC[N@H+]1CC[C@H](N2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC001173375815 815709877 /nfs/dbraw/zinc/70/98/77/815709877.db2.gz XYYPLWXOXMPTLO-CEXWTWQISA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001173375815 815709884 /nfs/dbraw/zinc/70/98/84/815709884.db2.gz XYYPLWXOXMPTLO-CEXWTWQISA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001173375815 815709890 /nfs/dbraw/zinc/70/98/90/815709890.db2.gz XYYPLWXOXMPTLO-CEXWTWQISA-N 2 1 299.462 2.287 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001173620146 815764670 /nfs/dbraw/zinc/76/46/70/815764670.db2.gz FFCPLLKQZDAPDT-RBSFLKMASA-N 2 1 282.428 2.182 20 0 CEADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173623349 815767105 /nfs/dbraw/zinc/76/71/05/815767105.db2.gz SAFITYJNDOUPJY-UONOGXRCSA-N 2 1 270.417 2.169 20 0 CEADMP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)ccc3OC)C[C@@H]2C1 ZINC001138488722 815810916 /nfs/dbraw/zinc/81/09/16/815810916.db2.gz ILGSPBJNKODCQP-HOTGVXAUSA-N 2 1 274.408 2.387 20 0 CEADMP Cc1nccn1-c1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cc1 ZINC001138543661 815821853 /nfs/dbraw/zinc/82/18/53/815821853.db2.gz TUKCWGFGNJEZCT-INIZCTEOSA-N 2 1 289.354 2.087 20 0 CEADMP CC[N@@H+](CCn1ccnc1)Cc1cnc2[nH]ccc2c1 ZINC001138740483 815885717 /nfs/dbraw/zinc/88/57/17/815885717.db2.gz YRQDZBQZZKPJQZ-UHFFFAOYSA-N 2 1 269.352 2.282 20 0 CEADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc4nsnc4c3)C2)C1 ZINC001139215894 815988679 /nfs/dbraw/zinc/98/86/79/815988679.db2.gz UUQYJUWHGWCYOM-OAHLLOKOSA-N 2 1 288.420 2.219 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CCC[C@@H]1O ZINC001139355840 816010760 /nfs/dbraw/zinc/01/07/60/816010760.db2.gz CDAHUHNDWVWPSL-PBHICJAKSA-N 2 1 285.391 2.465 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)ncn4C)C[C@H]2C1 ZINC001140511511 816274136 /nfs/dbraw/zinc/27/41/36/816274136.db2.gz GCBFLGYUGDRNSQ-HZPDHXFCSA-N 2 1 298.434 2.347 20 0 CEADMP Cn1cnnc1C1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140805170 816369135 /nfs/dbraw/zinc/36/91/35/816369135.db2.gz UWDHYTIFLJKLPE-UHFFFAOYSA-N 2 1 296.378 2.071 20 0 CEADMP CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176292464 816379429 /nfs/dbraw/zinc/37/94/29/816379429.db2.gz KIQKVJZIVUGMBT-AWEZNQCLSA-N 2 1 271.449 2.003 20 0 CEADMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc3c(c2)CCCN3)C1 ZINC001206277338 816438838 /nfs/dbraw/zinc/43/88/38/816438838.db2.gz RVQXLLJDXTWDGS-ZDUSSCGKSA-N 2 1 259.397 2.086 20 0 CEADMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc3c(c2)CCCN3)C1 ZINC001206277338 816438845 /nfs/dbraw/zinc/43/88/45/816438845.db2.gz RVQXLLJDXTWDGS-ZDUSSCGKSA-N 2 1 259.397 2.086 20 0 CEADMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001176752897 816473558 /nfs/dbraw/zinc/47/35/58/816473558.db2.gz AUNJECAEBHHEEN-HNNXBMFYSA-N 2 1 297.487 2.391 20 0 CEADMP C[NH+]1CCC(C2CC[NH+](Cc3cocn3)CC2)CC1 ZINC001141129481 816480329 /nfs/dbraw/zinc/48/03/29/816480329.db2.gz KLSGRSWGSSQGJU-UHFFFAOYSA-N 2 1 263.385 2.228 20 0 CEADMP C[NH+](C)CCO[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001206288466 816503395 /nfs/dbraw/zinc/50/33/95/816503395.db2.gz XUNJCGFUUVXVFK-HNNXBMFYSA-N 2 1 280.387 2.368 20 0 CEADMP CN(C)c1cccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3C)c1 ZINC001141270490 816517708 /nfs/dbraw/zinc/51/77/08/816517708.db2.gz YTUHZTNNBGKHDU-RDJZCZTQSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1cccc(CN2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c1 ZINC001141270490 816517712 /nfs/dbraw/zinc/51/77/12/816517712.db2.gz YTUHZTNNBGKHDU-RDJZCZTQSA-N 2 1 273.424 2.279 20 0 CEADMP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001178045932 816663767 /nfs/dbraw/zinc/66/37/67/816663767.db2.gz ZLJCVMQRAFUSNL-MRXNPFEDSA-N 2 1 295.471 2.313 20 0 CEADMP CC(C)[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178523341 816758594 /nfs/dbraw/zinc/75/85/94/816758594.db2.gz VWQPLYHMLRIBMR-HUUCEWRRSA-N 2 1 283.460 2.001 20 0 CEADMP CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736594 816790198 /nfs/dbraw/zinc/79/01/98/816790198.db2.gz YUCUDVJCSSVYQI-YHUYYLMFSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178832357 816799969 /nfs/dbraw/zinc/79/99/69/816799969.db2.gz DTRUNYYJFDDXCY-HNNXBMFYSA-N 2 1 283.460 2.147 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccncc2F)C1 ZINC000449037892 282079127 /nfs/dbraw/zinc/07/91/27/282079127.db2.gz PXYSSOGSFJLYLI-HNNXBMFYSA-N 2 1 295.402 2.153 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccncc2F)C1 ZINC000449037892 282079128 /nfs/dbraw/zinc/07/91/28/282079128.db2.gz PXYSSOGSFJLYLI-HNNXBMFYSA-N 2 1 295.402 2.153 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CCOC)CC1 ZINC000337407382 214059956 /nfs/dbraw/zinc/05/99/56/214059956.db2.gz SZWZDBUHWLSLQT-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H]3CCC[C@H]32)CC1 ZINC000337437507 214079950 /nfs/dbraw/zinc/07/99/50/214079950.db2.gz XXPFGZQEJSUGDR-DLBZAZTESA-N 2 1 279.472 2.277 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000449087169 282094862 /nfs/dbraw/zinc/09/48/62/282094862.db2.gz UQRWIYBZTRCPAB-HUUCEWRRSA-N 2 1 283.460 2.145 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000567624289 299068291 /nfs/dbraw/zinc/06/82/91/299068291.db2.gz LFPQAUCWOZIMHN-WBVHZDCISA-N 2 1 294.414 2.003 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000567624289 299068293 /nfs/dbraw/zinc/06/82/93/299068293.db2.gz LFPQAUCWOZIMHN-WBVHZDCISA-N 2 1 294.414 2.003 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000567624289 299068296 /nfs/dbraw/zinc/06/82/96/299068296.db2.gz LFPQAUCWOZIMHN-WBVHZDCISA-N 2 1 294.414 2.003 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000567624289 299068298 /nfs/dbraw/zinc/06/82/98/299068298.db2.gz LFPQAUCWOZIMHN-WBVHZDCISA-N 2 1 294.414 2.003 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000449106165 282102455 /nfs/dbraw/zinc/10/24/55/282102455.db2.gz HBYORNNVLNMDHQ-CQSZACIVSA-N 2 1 283.460 2.097 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H]1CCOC2(CCC2)C1)C(C)C ZINC000449114104 282104892 /nfs/dbraw/zinc/10/48/92/282104892.db2.gz YDEXYCCNMTWALZ-CQSZACIVSA-N 2 1 254.418 2.408 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H]1CCOC2(CCC2)C1)C(C)C ZINC000449114104 282104895 /nfs/dbraw/zinc/10/48/95/282104895.db2.gz YDEXYCCNMTWALZ-CQSZACIVSA-N 2 1 254.418 2.408 20 0 CEADMP CCOC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121610595 365592896 /nfs/dbraw/zinc/59/28/96/365592896.db2.gz SMXYEXHEJRJLCN-UHFFFAOYSA-N 2 1 282.428 2.138 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000127769300 187331824 /nfs/dbraw/zinc/33/18/24/187331824.db2.gz BXIZBZNONDRABL-OAHLLOKOSA-N 2 1 263.429 2.483 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000124749322 187151675 /nfs/dbraw/zinc/15/16/75/187151675.db2.gz QUZIQOGOBUWRFF-UHFFFAOYSA-N 2 1 258.312 2.329 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000124749322 187151676 /nfs/dbraw/zinc/15/16/76/187151676.db2.gz QUZIQOGOBUWRFF-UHFFFAOYSA-N 2 1 258.312 2.329 20 0 CEADMP COCC[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000124710264 365657425 /nfs/dbraw/zinc/65/74/25/365657425.db2.gz MDRRENMLFUKCFV-GFCCVEGCSA-N 2 1 292.427 2.077 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(n2ccnc2)CC1 ZINC000125157929 187172387 /nfs/dbraw/zinc/17/23/87/187172387.db2.gz UGNHBIOKWKLFHN-CQSZACIVSA-N 2 1 262.401 2.004 20 0 CEADMP CC1CC[NH+](CC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000125165753 187172891 /nfs/dbraw/zinc/17/28/91/187172891.db2.gz LKZMBPUNBMUOSN-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337763406 214251071 /nfs/dbraw/zinc/25/10/71/214251071.db2.gz QPWHAWRLPUTGLT-DZGCQCFKSA-N 2 1 254.418 2.110 20 0 CEADMP Cc1n[nH]cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036901630 361868523 /nfs/dbraw/zinc/86/85/23/361868523.db2.gz LBVYRQLZVFOGGH-UHFFFAOYSA-N 2 1 250.390 2.117 20 0 CEADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000412402194 529386110 /nfs/dbraw/zinc/38/61/10/529386110.db2.gz QAWGLEHANKWSBW-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000412402194 529386112 /nfs/dbraw/zinc/38/61/12/529386112.db2.gz QAWGLEHANKWSBW-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000412402194 529386114 /nfs/dbraw/zinc/38/61/14/529386114.db2.gz QAWGLEHANKWSBW-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125426217 187184230 /nfs/dbraw/zinc/18/42/30/187184230.db2.gz OGPGRZYCPJHADI-OAHLLOKOSA-N 2 1 293.411 2.247 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125426217 187184231 /nfs/dbraw/zinc/18/42/31/187184231.db2.gz OGPGRZYCPJHADI-OAHLLOKOSA-N 2 1 293.411 2.247 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C/C=C\c1ccncc1 ZINC000337951589 214329473 /nfs/dbraw/zinc/32/94/73/214329473.db2.gz XYPOOTPZSSJIBC-RQOWECAXSA-N 2 1 256.353 2.280 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000037981976 361970271 /nfs/dbraw/zinc/97/02/71/361970271.db2.gz KOBZOELISSQLFE-WFASDCNBSA-N 2 1 282.815 2.447 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337993714 214349227 /nfs/dbraw/zinc/34/92/27/214349227.db2.gz SPNUMNIBPLJASP-LSDHHAIUSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[NH+]1CCC(NC[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000121799165 539030762 /nfs/dbraw/zinc/03/07/62/539030762.db2.gz AABXGAVEEQQAGJ-HNNXBMFYSA-N 2 1 267.461 2.182 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000121799165 539030763 /nfs/dbraw/zinc/03/07/63/539030763.db2.gz AABXGAVEEQQAGJ-HNNXBMFYSA-N 3 1 267.461 2.182 20 0 CEADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000121799165 539030764 /nfs/dbraw/zinc/03/07/64/539030764.db2.gz AABXGAVEEQQAGJ-HNNXBMFYSA-N 3 1 267.461 2.182 20 0 CEADMP C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)[N@H+]1CCCC[C@H]1C ZINC000621642552 349650399 /nfs/dbraw/zinc/65/03/99/349650399.db2.gz QGCRAVNWVBVSEV-BZUAXINKSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@@H](C)O1 ZINC000449298015 282177329 /nfs/dbraw/zinc/17/73/29/282177329.db2.gz ILLJJDZAGAPPPJ-RSFISVRASA-N 2 1 252.402 2.159 20 0 CEADMP Cc1csc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000130031754 539173855 /nfs/dbraw/zinc/17/38/55/539173855.db2.gz XJFLRVRJRZPVNV-VXGBXAGGSA-N 2 1 253.415 2.066 20 0 CEADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668588364 539204769 /nfs/dbraw/zinc/20/47/69/539204769.db2.gz YVJACOKEKLOOHN-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP COC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668588364 539204770 /nfs/dbraw/zinc/20/47/70/539204770.db2.gz YVJACOKEKLOOHN-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCCC[NH3+])C1 ZINC000567730428 299083256 /nfs/dbraw/zinc/08/32/56/299083256.db2.gz AMUKVTCFQSSUMH-HOTGVXAUSA-N 2 1 295.471 2.228 20 0 CEADMP CCO[C@@H]1CCC[N@@H+](CCCCn2ccnc2C)C1 ZINC000125525057 539219190 /nfs/dbraw/zinc/21/91/90/539219190.db2.gz QNWXIUCWKUGFFW-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP CCO[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125525057 539219191 /nfs/dbraw/zinc/21/91/91/539219191.db2.gz QNWXIUCWKUGFFW-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP CCO[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000125525057 539219192 /nfs/dbraw/zinc/21/91/92/539219192.db2.gz QNWXIUCWKUGFFW-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccn1 ZINC000621776454 349697918 /nfs/dbraw/zinc/69/79/18/349697918.db2.gz LJSCOGVWKJZFOE-CVEARBPZSA-N 2 1 259.397 2.354 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC(F)F)c(OC)c1 ZINC000414976997 529568215 /nfs/dbraw/zinc/56/82/15/529568215.db2.gz JFLGPSJBVGSTPA-SNVBAGLBSA-N 2 1 274.311 2.124 20 0 CEADMP FC(F)(F)COCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000128119619 539251832 /nfs/dbraw/zinc/25/18/32/539251832.db2.gz BTWPQYTUFWZYGO-RYUDHWBXSA-N 2 1 280.334 2.172 20 0 CEADMP COC[C@@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC000126070380 187215348 /nfs/dbraw/zinc/21/53/48/187215348.db2.gz JMXZADSUEANEHQ-HUUCEWRRSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCOc2ccccc21 ZINC000162080725 539268252 /nfs/dbraw/zinc/26/82/52/539268252.db2.gz OPJPDUUKWHNJBH-HZSPNIEDSA-N 2 1 260.381 2.364 20 0 CEADMP Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)nc(C)[nH+]1 ZINC000133494125 539272959 /nfs/dbraw/zinc/27/29/59/539272959.db2.gz TZKYDKOKKXPZQW-KBPBESRZSA-N 2 1 260.385 2.014 20 0 CEADMP Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)nc(C)[nH+]1 ZINC000133494125 539272960 /nfs/dbraw/zinc/27/29/60/539272960.db2.gz TZKYDKOKKXPZQW-KBPBESRZSA-N 2 1 260.385 2.014 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000622133687 349800233 /nfs/dbraw/zinc/80/02/33/349800233.db2.gz GUSHGOVQYUFLLR-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000622133687 349800235 /nfs/dbraw/zinc/80/02/35/349800235.db2.gz GUSHGOVQYUFLLR-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000622133687 349800236 /nfs/dbraw/zinc/80/02/36/349800236.db2.gz GUSHGOVQYUFLLR-CABCVRRESA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000622136544 349801069 /nfs/dbraw/zinc/80/10/69/349801069.db2.gz IGXQBHQHFHDCTM-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000622136544 349801072 /nfs/dbraw/zinc/80/10/72/349801072.db2.gz IGXQBHQHFHDCTM-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000622136544 349801075 /nfs/dbraw/zinc/80/10/75/349801075.db2.gz IGXQBHQHFHDCTM-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)COCC1CCOCC1 ZINC000166671668 539298728 /nfs/dbraw/zinc/29/87/28/539298728.db2.gz PPCJYZOAONRHJL-SJORKVTESA-N 2 1 296.455 2.036 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@@H]3CCOC3)C1)CCCC2 ZINC000336629112 365740789 /nfs/dbraw/zinc/74/07/89/365740789.db2.gz XGLHYDJXLWXOQB-UONOGXRCSA-N 2 1 275.396 2.106 20 0 CEADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@@H]3CCOC3)C1)CCCC2 ZINC000336629112 365740792 /nfs/dbraw/zinc/74/07/92/365740792.db2.gz XGLHYDJXLWXOQB-UONOGXRCSA-N 2 1 275.396 2.106 20 0 CEADMP CC(C)[NH2+]CCC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000037901366 343432307 /nfs/dbraw/zinc/43/23/07/343432307.db2.gz AXOOWNCWIUWEHM-UHFFFAOYSA-N 2 1 283.460 2.145 20 0 CEADMP NC[C@H]1c2ccccc2CC[N@@H+]1CCc1cccnc1 ZINC000227723568 539316446 /nfs/dbraw/zinc/31/64/46/539316446.db2.gz NBHRMBIPIPEFRP-KRWDZBQOSA-N 2 1 267.376 2.182 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000333177256 539321569 /nfs/dbraw/zinc/32/15/69/539321569.db2.gz RDNGYKCYCBOYOA-KBXIAJHMSA-N 3 1 253.434 2.157 20 0 CEADMP C[C@H](C[NH3+])CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000336656263 365752211 /nfs/dbraw/zinc/75/22/11/365752211.db2.gz LXVPFIFZZZKHSG-LAVFITLUSA-N 2 1 287.451 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000336656263 365752214 /nfs/dbraw/zinc/75/22/14/365752214.db2.gz LXVPFIFZZZKHSG-LAVFITLUSA-N 3 1 287.451 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000336656263 365752220 /nfs/dbraw/zinc/75/22/20/365752220.db2.gz LXVPFIFZZZKHSG-LAVFITLUSA-N 3 1 287.451 2.081 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000351266848 219089098 /nfs/dbraw/zinc/08/90/98/219089098.db2.gz FSOASJYHRBLNHY-WBVHZDCISA-N 2 1 296.455 2.131 20 0 CEADMP O[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4nccn43)CC[C@@H]2C1 ZINC000449557791 282282430 /nfs/dbraw/zinc/28/24/30/282282430.db2.gz VFBABGSLPDPWNP-IJEWVQPXSA-N 2 1 285.391 2.317 20 0 CEADMP O[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc4nccn43)CC[C@H]2C1 ZINC000449557793 282282645 /nfs/dbraw/zinc/28/26/45/282282645.db2.gz VFBABGSLPDPWNP-SQWLQELKSA-N 2 1 285.391 2.317 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCOC1 ZINC000336710846 365776091 /nfs/dbraw/zinc/77/60/91/365776091.db2.gz NIHBRGJBJZHQID-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCCOC1 ZINC000336710846 365776099 /nfs/dbraw/zinc/77/60/99/365776099.db2.gz NIHBRGJBJZHQID-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCCOC1 ZINC000336710846 365776105 /nfs/dbraw/zinc/77/61/05/365776105.db2.gz NIHBRGJBJZHQID-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000126868789 187266643 /nfs/dbraw/zinc/26/66/43/187266643.db2.gz CDCSQYKDBMZGGO-WFASDCNBSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H]([NH2+]Cc1cccnc1N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000295038888 199315161 /nfs/dbraw/zinc/31/51/61/199315161.db2.gz SOPORNODKPGQMI-DZGCQCFKSA-N 2 1 288.439 2.406 20 0 CEADMP C[C@H]([NH2+]Cc1cccnc1N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000295038888 199315162 /nfs/dbraw/zinc/31/51/62/199315162.db2.gz SOPORNODKPGQMI-DZGCQCFKSA-N 2 1 288.439 2.406 20 0 CEADMP CCC[NH+]1CCC(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000128585181 365797230 /nfs/dbraw/zinc/79/72/30/365797230.db2.gz SVLHMQFNXJQYIH-HIFRSBDPSA-N 2 1 265.445 2.076 20 0 CEADMP Cc1nc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000067452839 343736993 /nfs/dbraw/zinc/73/69/93/343736993.db2.gz KHCDNUUEQJGDSY-BETUJISGSA-N 2 1 297.468 2.431 20 0 CEADMP COC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072869093 343813765 /nfs/dbraw/zinc/81/37/65/343813765.db2.gz KFKNABNNGBITKS-RDJZCZTQSA-N 2 1 276.424 2.475 20 0 CEADMP COC[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072869093 343813769 /nfs/dbraw/zinc/81/37/69/343813769.db2.gz KFKNABNNGBITKS-RDJZCZTQSA-N 2 1 276.424 2.475 20 0 CEADMP COC[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072869093 343813771 /nfs/dbraw/zinc/81/37/71/343813771.db2.gz KFKNABNNGBITKS-RDJZCZTQSA-N 2 1 276.424 2.475 20 0 CEADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc1 ZINC000449606311 282302544 /nfs/dbraw/zinc/30/25/44/282302544.db2.gz YIWFIMKSYICNGI-ZIAGYGMSSA-N 2 1 291.439 2.384 20 0 CEADMP CCOC(=O)[C@H](CC)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000075713400 343863724 /nfs/dbraw/zinc/86/37/24/343863724.db2.gz VUGVNJMLTYCKSD-HNNXBMFYSA-N 2 1 284.444 2.380 20 0 CEADMP C[N@@H+](CCc1cncs1)CC[C@@H]1CCCC[NH+]1C ZINC000411290170 529938375 /nfs/dbraw/zinc/93/83/75/529938375.db2.gz GNXAVDXJIKUHBE-ZDUSSCGKSA-N 2 1 267.442 2.492 20 0 CEADMP C[N@H+](CCc1cncs1)CC[C@@H]1CCCC[NH+]1C ZINC000411290170 529938376 /nfs/dbraw/zinc/93/83/76/529938376.db2.gz GNXAVDXJIKUHBE-ZDUSSCGKSA-N 2 1 267.442 2.492 20 0 CEADMP C[NH+](CCc1cncs1)CC[C@@H]1CCCC[N@@H+]1C ZINC000411290170 529938378 /nfs/dbraw/zinc/93/83/78/529938378.db2.gz GNXAVDXJIKUHBE-ZDUSSCGKSA-N 2 1 267.442 2.492 20 0 CEADMP C[NH+](CCc1cncs1)CC[C@@H]1CCCC[N@H+]1C ZINC000411290170 529938379 /nfs/dbraw/zinc/93/83/79/529938379.db2.gz GNXAVDXJIKUHBE-ZDUSSCGKSA-N 2 1 267.442 2.492 20 0 CEADMP C[N@@H+](CCc1cncs1)CC[C@H]1CCCC[NH+]1C ZINC000411290168 529938393 /nfs/dbraw/zinc/93/83/93/529938393.db2.gz GNXAVDXJIKUHBE-CYBMUJFWSA-N 2 1 267.442 2.492 20 0 CEADMP C[N@H+](CCc1cncs1)CC[C@H]1CCCC[NH+]1C ZINC000411290168 529938394 /nfs/dbraw/zinc/93/83/94/529938394.db2.gz GNXAVDXJIKUHBE-CYBMUJFWSA-N 2 1 267.442 2.492 20 0 CEADMP C[NH+](CCc1cncs1)CC[C@H]1CCCC[N@@H+]1C ZINC000411290168 529938395 /nfs/dbraw/zinc/93/83/95/529938395.db2.gz GNXAVDXJIKUHBE-CYBMUJFWSA-N 2 1 267.442 2.492 20 0 CEADMP C[NH+](CCc1cncs1)CC[C@H]1CCCC[N@H+]1C ZINC000411290168 529938396 /nfs/dbraw/zinc/93/83/96/529938396.db2.gz GNXAVDXJIKUHBE-CYBMUJFWSA-N 2 1 267.442 2.492 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](C)O2)C[C@H]1C ZINC000336783594 365800157 /nfs/dbraw/zinc/80/01/57/365800157.db2.gz BYDOKTHEDPRBKU-QPSCCSFWSA-N 2 1 254.418 2.359 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[C@H](C)O2)C[C@H]1C ZINC000336783594 365800165 /nfs/dbraw/zinc/80/01/65/365800165.db2.gz BYDOKTHEDPRBKU-QPSCCSFWSA-N 2 1 254.418 2.359 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOCC(C)C)C1 ZINC000336783859 365800263 /nfs/dbraw/zinc/80/02/63/365800263.db2.gz HGCMRWMXJSCPIP-HNNXBMFYSA-N 2 1 256.434 2.323 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOCC(C)C)C1 ZINC000336783859 365800267 /nfs/dbraw/zinc/80/02/67/365800267.db2.gz HGCMRWMXJSCPIP-HNNXBMFYSA-N 2 1 256.434 2.323 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[C@H](C)O2)C[C@H]1C ZINC000336783594 365800175 /nfs/dbraw/zinc/80/01/75/365800175.db2.gz BYDOKTHEDPRBKU-QPSCCSFWSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@H](O)C[N@@H+](CCC1CC[NH2+]CC1)C1CCCCC1 ZINC000359194345 290080948 /nfs/dbraw/zinc/08/09/48/290080948.db2.gz RYASAYVCPPBKQF-AWEZNQCLSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](O)Cc1ccccc1 ZINC000090653919 344142278 /nfs/dbraw/zinc/14/22/78/344142278.db2.gz NVCNPWJHXHITCZ-DZOHQFGASA-N 2 1 288.435 2.195 20 0 CEADMP Cc1ccc(C)c(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000111824613 344272008 /nfs/dbraw/zinc/27/20/08/344272008.db2.gz SXAXCWSMTLKYRE-KRWDZBQOSA-N 2 1 287.451 2.425 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC(=O)NC1CCCCC1 ZINC000128693035 365801159 /nfs/dbraw/zinc/80/11/59/365801159.db2.gz FTLUPTGNBUSJBG-FMKPAKJESA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000152886324 344427257 /nfs/dbraw/zinc/42/72/57/344427257.db2.gz VDINCFCDHUMPSM-GOEBONIOSA-N 2 1 295.471 2.227 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000170735270 344488870 /nfs/dbraw/zinc/48/88/70/344488870.db2.gz GZNNXSBEVWAUTL-BYNSBNAKSA-N 2 1 283.460 2.094 20 0 CEADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000170735270 344488872 /nfs/dbraw/zinc/48/88/72/344488872.db2.gz GZNNXSBEVWAUTL-BYNSBNAKSA-N 2 1 283.460 2.094 20 0 CEADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000170735270 344488874 /nfs/dbraw/zinc/48/88/74/344488874.db2.gz GZNNXSBEVWAUTL-BYNSBNAKSA-N 2 1 283.460 2.094 20 0 CEADMP COc1cc2c(cc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)O[C@@H](C)C2 ZINC000215962215 344534430 /nfs/dbraw/zinc/53/44/30/344534430.db2.gz WNWFNSDURVSMKQ-AVGNSLFASA-N 2 1 290.407 2.188 20 0 CEADMP COc1cc2c(cc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)O[C@@H](C)C2 ZINC000215962215 344534434 /nfs/dbraw/zinc/53/44/34/344534434.db2.gz WNWFNSDURVSMKQ-AVGNSLFASA-N 2 1 290.407 2.188 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000414841364 529999061 /nfs/dbraw/zinc/99/90/61/529999061.db2.gz NSVOTSGGZSQXJI-ZDUSSCGKSA-N 2 1 290.386 2.016 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000262625391 344654983 /nfs/dbraw/zinc/65/49/83/344654983.db2.gz BMWDWLIHGCBBEY-ARFHVFGLSA-N 2 1 295.471 2.003 20 0 CEADMP CCC1(CC)C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CCS1 ZINC000351605777 219143279 /nfs/dbraw/zinc/14/32/79/219143279.db2.gz RHLXZBJNZVHIMS-AWEZNQCLSA-N 2 1 286.485 2.049 20 0 CEADMP CCC1(CC)C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CCS1 ZINC000351605777 219143280 /nfs/dbraw/zinc/14/32/80/219143280.db2.gz RHLXZBJNZVHIMS-AWEZNQCLSA-N 2 1 286.485 2.049 20 0 CEADMP CCC1(CC)C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CCS1 ZINC000351605777 219143283 /nfs/dbraw/zinc/14/32/83/219143283.db2.gz RHLXZBJNZVHIMS-AWEZNQCLSA-N 2 1 286.485 2.049 20 0 CEADMP CCC1(CC)C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CCS1 ZINC000351605777 219143285 /nfs/dbraw/zinc/14/32/85/219143285.db2.gz RHLXZBJNZVHIMS-AWEZNQCLSA-N 2 1 286.485 2.049 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(C)C)CC1 ZINC000311005669 344732672 /nfs/dbraw/zinc/73/26/72/344732672.db2.gz JCULPROGYWGDBJ-HUUCEWRRSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000311005669 344732673 /nfs/dbraw/zinc/73/26/73/344732673.db2.gz JCULPROGYWGDBJ-HUUCEWRRSA-N 2 1 256.434 2.057 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000311005669 344732674 /nfs/dbraw/zinc/73/26/74/344732674.db2.gz JCULPROGYWGDBJ-HUUCEWRRSA-N 2 1 256.434 2.057 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000311404537 344733706 /nfs/dbraw/zinc/73/37/06/344733706.db2.gz ARSOVQWHTPTFDV-LSDHHAIUSA-N 2 1 268.445 2.392 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000311404534 344733760 /nfs/dbraw/zinc/73/37/60/344733760.db2.gz ARSOVQWHTPTFDV-CABCVRRESA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000313780004 344743243 /nfs/dbraw/zinc/74/32/43/344743243.db2.gz QHXHLKNVZFLHLE-JKSUJKDBSA-N 2 1 295.471 2.131 20 0 CEADMP Cc1cnc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)s1 ZINC000314191596 344744645 /nfs/dbraw/zinc/74/46/45/344744645.db2.gz RHGKSOWEWLOTHA-LLVKDONJSA-N 2 1 264.398 2.468 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CCc2ccccc2)[C@@H](C)C1 ZINC000273208930 192076214 /nfs/dbraw/zinc/07/62/14/192076214.db2.gz JZKUAQJRFLCLNT-JQHSSLGASA-N 2 1 290.451 2.300 20 0 CEADMP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000449758622 282357197 /nfs/dbraw/zinc/35/71/97/282357197.db2.gz HCXNQPURCHVJTD-HUUCEWRRSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000320695099 344752813 /nfs/dbraw/zinc/75/28/13/344752813.db2.gz RBRRSPPYIYCEBX-AGIUHOORSA-N 2 1 270.417 2.037 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000385706523 344830853 /nfs/dbraw/zinc/83/08/53/344830853.db2.gz QWMMPMZOLGDULZ-HOCLYGCPSA-N 2 1 289.379 2.198 20 0 CEADMP CC(C)[NH+]1CCC(NCC[N@H+]2CCCC2(C)C)CC1 ZINC000449781438 282365197 /nfs/dbraw/zinc/36/51/97/282365197.db2.gz IFYPVACCFCCBTO-UHFFFAOYSA-N 2 1 267.461 2.323 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000401717623 344869685 /nfs/dbraw/zinc/86/96/85/344869685.db2.gz BXHOOSDEVBLVNP-UHFFFAOYSA-N 2 1 291.782 2.341 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cn1 ZINC000404492175 344880605 /nfs/dbraw/zinc/88/06/05/344880605.db2.gz BXNVSJACRXWRBA-OCCSQVGLSA-N 2 1 263.385 2.040 20 0 CEADMP C[NH+](CC(O)C[N@H+](C)C1CCCC1)C1CCCC1 ZINC000194398721 282379658 /nfs/dbraw/zinc/37/96/58/282379658.db2.gz GCVJQXHQWLAHLU-UHFFFAOYSA-N 2 1 254.418 2.096 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2-n2cncn2)C1 ZINC000588689391 345051858 /nfs/dbraw/zinc/05/18/58/345051858.db2.gz QAOXAIMCTZFLJI-HNNXBMFYSA-N 2 1 299.422 2.087 20 0 CEADMP COCc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000054243289 362520610 /nfs/dbraw/zinc/52/06/10/362520610.db2.gz ALTHSGXOPBBJBC-MRXNPFEDSA-N 2 1 262.397 2.264 20 0 CEADMP CCCNC(=O)C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999827 345109125 /nfs/dbraw/zinc/10/91/25/345109125.db2.gz YHDJRUFMVAINJX-UHFFFAOYSA-N 2 1 291.439 2.096 20 0 CEADMP CCCNC(=O)C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999827 345109128 /nfs/dbraw/zinc/10/91/28/345109128.db2.gz YHDJRUFMVAINJX-UHFFFAOYSA-N 2 1 291.439 2.096 20 0 CEADMP CCOC(=O)CC[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000591272457 345236467 /nfs/dbraw/zinc/23/64/67/345236467.db2.gz ODEMGGVUIJPTDA-GJZGRUSLSA-N 2 1 284.444 2.415 20 0 CEADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000591272457 345236470 /nfs/dbraw/zinc/23/64/70/345236470.db2.gz ODEMGGVUIJPTDA-GJZGRUSLSA-N 2 1 284.444 2.415 20 0 CEADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CCSC ZINC000592205023 345338660 /nfs/dbraw/zinc/33/86/60/345338660.db2.gz WKCUEPBGBYMWAT-UHFFFAOYSA-N 2 1 287.517 2.087 20 0 CEADMP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])o1 ZINC000593314235 345465598 /nfs/dbraw/zinc/46/55/98/345465598.db2.gz BPKZXKNSOMZKTH-GXTWGEPZSA-N 2 1 294.395 2.406 20 0 CEADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])o1 ZINC000593314235 345465599 /nfs/dbraw/zinc/46/55/99/345465599.db2.gz BPKZXKNSOMZKTH-GXTWGEPZSA-N 2 1 294.395 2.406 20 0 CEADMP CCOc1ccccc1OCC[N@H+](C)CCC[NH2+]C ZINC000124896169 232207720 /nfs/dbraw/zinc/20/77/20/232207720.db2.gz AEKCVIJMHUDINQ-UHFFFAOYSA-N 2 1 266.385 2.005 20 0 CEADMP CCOc1ccccc1OCC[N@@H+](C)CCC[NH2+]C ZINC000124896169 232207721 /nfs/dbraw/zinc/20/77/21/232207721.db2.gz AEKCVIJMHUDINQ-UHFFFAOYSA-N 2 1 266.385 2.005 20 0 CEADMP C[C@H](C[NH2+]Cc1cnn(C(C)(C)C)c1)C[NH+]1CCCC1 ZINC000057994585 362604836 /nfs/dbraw/zinc/60/48/36/362604836.db2.gz CYYFWUOSJXZSNS-CQSZACIVSA-N 2 1 278.444 2.460 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CSCCF)C1 ZINC000595012155 345726525 /nfs/dbraw/zinc/72/65/25/345726525.db2.gz DTXJDZQTZDKBLC-STQMWFEESA-N 2 1 262.438 2.399 20 0 CEADMP C[C@@H](CSCCF)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000595052589 345735648 /nfs/dbraw/zinc/73/56/48/345735648.db2.gz SCCOVRHCZIDRRW-STQMWFEESA-N 2 1 262.438 2.399 20 0 CEADMP C[S@](=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000595068157 345738663 /nfs/dbraw/zinc/73/86/63/345738663.db2.gz JIGVOKJCLLTQFS-FTRWYGJKSA-N 2 1 298.496 2.140 20 0 CEADMP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000595428754 345781038 /nfs/dbraw/zinc/78/10/38/345781038.db2.gz KCMIXMCGSCWNBZ-LXTVHRRPSA-N 2 1 284.444 2.142 20 0 CEADMP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000595428754 345781039 /nfs/dbraw/zinc/78/10/39/345781039.db2.gz KCMIXMCGSCWNBZ-LXTVHRRPSA-N 2 1 284.444 2.142 20 0 CEADMP Cc1ncsc1CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000172534041 232272507 /nfs/dbraw/zinc/27/25/07/232272507.db2.gz NZVHBFCWKOBJIP-UHFFFAOYSA-N 2 1 267.442 2.456 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(F)cn1 ZINC000336787291 365807316 /nfs/dbraw/zinc/80/73/16/365807316.db2.gz DVCVRJBMTQISMZ-YPMHNXCESA-N 2 1 253.365 2.459 20 0 CEADMP CC[N@@H+](CCSC)Cc1ccnn1-c1cc[nH+]cc1 ZINC000597158150 346138462 /nfs/dbraw/zinc/13/84/62/346138462.db2.gz NHKYHODMDRCNOM-UHFFFAOYSA-N 2 1 276.409 2.452 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)C(C)(C)C)C[C@@H]1C ZINC000336787157 365807911 /nfs/dbraw/zinc/80/79/11/365807911.db2.gz KUSLBMPVZQZCDS-IHRRRGAJSA-N 2 1 256.434 2.198 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000597240778 346159251 /nfs/dbraw/zinc/15/92/51/346159251.db2.gz RAGCQZYZZCJSOH-DOTOQJQBSA-N 2 1 294.439 2.325 20 0 CEADMP CCSCC[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000597255287 346162892 /nfs/dbraw/zinc/16/28/92/346162892.db2.gz HBXJZKKPFNWBHA-AWEZNQCLSA-N 2 1 256.459 2.451 20 0 CEADMP CC(C)C[C@H](CN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000128886222 365808355 /nfs/dbraw/zinc/80/83/55/365808355.db2.gz BCBQXFZBUJZFSY-IJEWVQPXSA-N 2 1 267.461 2.178 20 0 CEADMP CC(C)C[C@H](CN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+](C)C ZINC000128886222 365808360 /nfs/dbraw/zinc/80/83/60/365808360.db2.gz BCBQXFZBUJZFSY-IJEWVQPXSA-N 2 1 267.461 2.178 20 0 CEADMP CCC[N@@H+](C)CC(=O)Nc1c[nH+]ccc1NC(CC)CC ZINC000568210737 299128642 /nfs/dbraw/zinc/12/86/42/299128642.db2.gz IXVILASSCGTLNE-UHFFFAOYSA-N 2 1 292.427 2.384 20 0 CEADMP CN(C)C(=O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449227587 260299650 /nfs/dbraw/zinc/29/96/50/260299650.db2.gz VOVPUBANWKGQPJ-UHFFFAOYSA-N 2 1 297.487 2.343 20 0 CEADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H](C)C[NH+](C)C)c1C ZINC000598981515 346441079 /nfs/dbraw/zinc/44/10/79/346441079.db2.gz YPOFYGGDMGTGJD-LLVKDONJSA-N 2 1 295.427 2.096 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC(CC(=O)OC)CC2)C1 ZINC000599035356 346449531 /nfs/dbraw/zinc/44/95/31/346449531.db2.gz VBMSVCUZZOUCCP-PCKAHOCUSA-N 2 1 296.455 2.430 20 0 CEADMP COC(=O)CC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000599051984 346452981 /nfs/dbraw/zinc/45/29/81/346452981.db2.gz ZUYLTWHSHUXERL-SVFSVNPNSA-N 2 1 294.439 2.323 20 0 CEADMP C[C@@H](CSCCF)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000599071702 346455627 /nfs/dbraw/zinc/45/56/27/346455627.db2.gz SQLMRTPVJXMNBF-QWHCGFSZSA-N 2 1 262.438 2.399 20 0 CEADMP CC(C)c1noc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000063200861 362761220 /nfs/dbraw/zinc/76/12/20/362761220.db2.gz HHAFQBQYTGLSAW-CYBMUJFWSA-N 2 1 278.400 2.157 20 0 CEADMP COC(=O)CCCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000599284204 346490661 /nfs/dbraw/zinc/49/06/61/346490661.db2.gz NXPFITVACFZGRG-UHFFFAOYSA-N 2 1 284.444 2.382 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000568277093 299133860 /nfs/dbraw/zinc/13/38/60/299133860.db2.gz SUXRXFHMOXIPLJ-UGFHNGPFSA-N 2 1 278.371 2.059 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000568277093 299133865 /nfs/dbraw/zinc/13/38/65/299133865.db2.gz SUXRXFHMOXIPLJ-UGFHNGPFSA-N 2 1 278.371 2.059 20 0 CEADMP OC1(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCC1 ZINC000336805166 365839542 /nfs/dbraw/zinc/83/95/42/365839542.db2.gz UGCCIFMMSYUKRU-OAHLLOKOSA-N 2 1 266.429 2.099 20 0 CEADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)O1 ZINC000336805560 365841586 /nfs/dbraw/zinc/84/15/86/365841586.db2.gz DPAFKFDCVAGHBX-VNQPRFMTSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)O1 ZINC000336805560 365841595 /nfs/dbraw/zinc/84/15/95/365841595.db2.gz DPAFKFDCVAGHBX-VNQPRFMTSA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1CC[C@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)O1 ZINC000336805560 365841599 /nfs/dbraw/zinc/84/15/99/365841599.db2.gz DPAFKFDCVAGHBX-VNQPRFMTSA-N 2 1 266.429 2.218 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C[C@H]1C ZINC000600679316 346672738 /nfs/dbraw/zinc/67/27/38/346672738.db2.gz HUBZNFMCCBNJRV-GZBLMMOJSA-N 2 1 282.428 2.084 20 0 CEADMP C[C@H](O)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000336804515 365837971 /nfs/dbraw/zinc/83/79/71/365837971.db2.gz DLTVJBJYFAVJQW-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP CSCc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000600739368 346682209 /nfs/dbraw/zinc/68/22/09/346682209.db2.gz BUYBDMHWIFQWIK-INIZCTEOSA-N 2 1 294.464 2.096 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(OC)cc3C2)C1 ZINC000129502414 365866120 /nfs/dbraw/zinc/86/61/20/365866120.db2.gz OCIZZMHUHFZTBW-RHSMWYFYSA-N 2 1 288.435 2.484 20 0 CEADMP COC(=O)[C@@]1(C)C[N@H+](CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000602929691 347249756 /nfs/dbraw/zinc/24/97/56/347249756.db2.gz UNNCHHJUZGTWSP-BBRMVZONSA-N 2 1 293.411 2.103 20 0 CEADMP COC(=O)[C@@]1(C)C[N@@H+](CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000602929691 347249757 /nfs/dbraw/zinc/24/97/57/347249757.db2.gz UNNCHHJUZGTWSP-BBRMVZONSA-N 2 1 293.411 2.103 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CC12CC2 ZINC000527899688 313214053 /nfs/dbraw/zinc/21/40/53/313214053.db2.gz WKRBJSXHEOWCDW-ILXRZTDVSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1C[C@@H](C(=O)NCCC[NH+]2CCCCCC2)CC[N@H+]1C ZINC000351812729 219214891 /nfs/dbraw/zinc/21/48/91/219214891.db2.gz SNPIOAWDMRIBSF-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP c1csc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000603516937 347377560 /nfs/dbraw/zinc/37/75/60/347377560.db2.gz GFGVPMOLOJIUJV-AWEZNQCLSA-N 2 1 280.437 2.481 20 0 CEADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000606359060 347466829 /nfs/dbraw/zinc/46/68/29/347466829.db2.gz HHEJIUIBXZTRAD-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[C@H](NCCC[NH+]2CCCCC2)C[N@H+]1C1CC1 ZINC000128624114 187380391 /nfs/dbraw/zinc/38/03/91/187380391.db2.gz RLOWRELSFAMKHO-CABCVRRESA-N 2 1 265.445 2.077 20 0 CEADMP CCSCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000611981734 347831510 /nfs/dbraw/zinc/83/15/10/347831510.db2.gz YCZDVLCQOCEZBX-HNNXBMFYSA-N 2 1 286.485 2.363 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000351865650 219230449 /nfs/dbraw/zinc/23/04/49/219230449.db2.gz ODILZYIFAZCPLL-UONOGXRCSA-N 2 1 278.396 2.133 20 0 CEADMP c1[nH]nc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc12 ZINC000334234262 539588390 /nfs/dbraw/zinc/58/83/90/539588390.db2.gz PQTATOXKDFYMNN-MRXNPFEDSA-N 2 1 270.380 2.138 20 0 CEADMP [NH3+]C1CC[NH+](CCCc2nc(C3CCCC3)no2)CC1 ZINC000339357967 215118640 /nfs/dbraw/zinc/11/86/40/215118640.db2.gz ONQOMIHAMVCPQL-UHFFFAOYSA-N 2 1 278.400 2.083 20 0 CEADMP [NH3+]CCC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000086777923 179330354 /nfs/dbraw/zinc/33/03/54/179330354.db2.gz OWZSSMQKWUHUNX-UHFFFAOYSA-N 2 1 259.806 2.357 20 0 CEADMP CC[C@@](C)(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000087013578 179379999 /nfs/dbraw/zinc/37/99/99/179379999.db2.gz UDKCYRZSGDTKII-GOSISDBHSA-N 2 1 290.451 2.444 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@]2(O)CCCC2(C)C)s1 ZINC000339469867 215192852 /nfs/dbraw/zinc/19/28/52/215192852.db2.gz RPRZRWYLIUWENW-HNNXBMFYSA-N 2 1 297.468 2.236 20 0 CEADMP c1ccc(OCCCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357056230 233000636 /nfs/dbraw/zinc/00/06/36/233000636.db2.gz SIXYIZVBUWCPDQ-HOTGVXAUSA-N 2 1 274.408 2.387 20 0 CEADMP C[C@@H](C1CC[NH+](C)CC1)N(C)c1[nH+]cnc2[nH]ccc21 ZINC000273360579 192126026 /nfs/dbraw/zinc/12/60/26/192126026.db2.gz WKNMMTQGFGXUAM-NSHDSACASA-N 2 1 273.384 2.124 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOC[C@H]2CCCO2)CC1(C)C ZINC000623343901 349993444 /nfs/dbraw/zinc/99/34/44/349993444.db2.gz OEVSKPALRLXWHC-LSDHHAIUSA-N 2 1 284.444 2.035 20 0 CEADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1(C)C ZINC000459728888 290219314 /nfs/dbraw/zinc/21/93/14/290219314.db2.gz CSNZXCGVVGXFBN-APIJFGDWSA-N 2 1 268.445 2.367 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623351230 349995941 /nfs/dbraw/zinc/99/59/41/349995941.db2.gz IDEHBEANCHXNNC-AWEZNQCLSA-N 2 1 255.450 2.179 20 0 CEADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623351230 349995942 /nfs/dbraw/zinc/99/59/42/349995942.db2.gz IDEHBEANCHXNNC-AWEZNQCLSA-N 2 1 255.450 2.179 20 0 CEADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623351230 349995943 /nfs/dbraw/zinc/99/59/43/349995943.db2.gz IDEHBEANCHXNNC-AWEZNQCLSA-N 2 1 255.450 2.179 20 0 CEADMP C[N@@H+](CCN[C@H]1CC[NH+]2CCC[C@H]2C1)C1CCCCC1 ZINC000339065368 539659490 /nfs/dbraw/zinc/65/94/90/539659490.db2.gz AKTXMFSQWSNVJA-RDJZCZTQSA-N 2 1 279.472 2.467 20 0 CEADMP C[NH+](CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000339065368 539659495 /nfs/dbraw/zinc/65/94/95/539659495.db2.gz AKTXMFSQWSNVJA-RDJZCZTQSA-N 2 1 279.472 2.467 20 0 CEADMP C[NH+](CCN[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000339065368 539659497 /nfs/dbraw/zinc/65/94/97/539659497.db2.gz AKTXMFSQWSNVJA-RDJZCZTQSA-N 2 1 279.472 2.467 20 0 CEADMP CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000617552956 348728503 /nfs/dbraw/zinc/72/85/03/348728503.db2.gz YLARVUXLOFPKSH-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)o1 ZINC000357792332 233145663 /nfs/dbraw/zinc/14/56/63/233145663.db2.gz KHQJVDZQGMIREH-KGLIPLIRSA-N 2 1 263.385 2.050 20 0 CEADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000618988826 349087586 /nfs/dbraw/zinc/08/75/86/349087586.db2.gz GQDYDXCERJNGQW-OAGGEKHMSA-N 2 1 295.471 2.096 20 0 CEADMP CCOC1CC(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000352015094 219290771 /nfs/dbraw/zinc/29/07/71/219290771.db2.gz PDSHKLWKCLVYCC-FGZQJIAISA-N 2 1 254.418 2.216 20 0 CEADMP CCOC1CC(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000352015094 219290773 /nfs/dbraw/zinc/29/07/73/219290773.db2.gz PDSHKLWKCLVYCC-FGZQJIAISA-N 2 1 254.418 2.216 20 0 CEADMP CCOC1CC(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000352015094 219290776 /nfs/dbraw/zinc/29/07/76/219290776.db2.gz PDSHKLWKCLVYCC-FGZQJIAISA-N 2 1 254.418 2.216 20 0 CEADMP CCOC1CC(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000352015094 219290778 /nfs/dbraw/zinc/29/07/78/219290778.db2.gz PDSHKLWKCLVYCC-FGZQJIAISA-N 2 1 254.418 2.216 20 0 CEADMP C[C@H](C[NH+](C)CC[C@H]1CCC[N@H+]1C)C(=O)OC(C)(C)C ZINC000459788953 290240649 /nfs/dbraw/zinc/24/06/49/290240649.db2.gz DIYUFNLISOHGTR-ZIAGYGMSSA-N 2 1 284.444 2.380 20 0 CEADMP C[C@H](C[N@@H+](C)CC[C@H]1CCC[NH+]1C)C(=O)OC(C)(C)C ZINC000459788953 290240646 /nfs/dbraw/zinc/24/06/46/290240646.db2.gz DIYUFNLISOHGTR-ZIAGYGMSSA-N 2 1 284.444 2.380 20 0 CEADMP C[C@H](C[NH+](C)CC[C@H]1CCC[N@@H+]1C)C(=O)OC(C)(C)C ZINC000459788953 290240648 /nfs/dbraw/zinc/24/06/48/290240648.db2.gz DIYUFNLISOHGTR-ZIAGYGMSSA-N 2 1 284.444 2.380 20 0 CEADMP CCC[N@H+]1CC[C@@H](CN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623373103 350003006 /nfs/dbraw/zinc/00/30/06/350003006.db2.gz RXZZYTHMNPJMNJ-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CC[C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623373103 350003010 /nfs/dbraw/zinc/00/30/10/350003010.db2.gz RXZZYTHMNPJMNJ-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CC[C@@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623373103 350003013 /nfs/dbraw/zinc/00/30/13/350003013.db2.gz RXZZYTHMNPJMNJ-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623373103 350003016 /nfs/dbraw/zinc/00/30/16/350003016.db2.gz RXZZYTHMNPJMNJ-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623373103 350003021 /nfs/dbraw/zinc/00/30/21/350003021.db2.gz RXZZYTHMNPJMNJ-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CC[C@@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623373103 350003024 /nfs/dbraw/zinc/00/30/24/350003024.db2.gz RXZZYTHMNPJMNJ-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623373103 350003027 /nfs/dbraw/zinc/00/30/27/350003027.db2.gz RXZZYTHMNPJMNJ-GJZGRUSLSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623383947 350005583 /nfs/dbraw/zinc/00/55/83/350005583.db2.gz ILGVTIITFWYOCM-ZDUSSCGKSA-N 2 1 272.396 2.383 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623396396 350008441 /nfs/dbraw/zinc/00/84/41/350008441.db2.gz QUDBFVBAIWLYHV-UONOGXRCSA-N 2 1 255.450 2.179 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623396396 350008444 /nfs/dbraw/zinc/00/84/44/350008444.db2.gz QUDBFVBAIWLYHV-UONOGXRCSA-N 2 1 255.450 2.179 20 0 CEADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623396396 350008448 /nfs/dbraw/zinc/00/84/48/350008448.db2.gz QUDBFVBAIWLYHV-UONOGXRCSA-N 2 1 255.450 2.179 20 0 CEADMP Cc1nccn1C[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623402325 350010391 /nfs/dbraw/zinc/01/03/91/350010391.db2.gz GJNIVIYIMGRMLL-ZFWWWQNUSA-N 2 1 278.444 2.290 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623402325 350010395 /nfs/dbraw/zinc/01/03/95/350010395.db2.gz GJNIVIYIMGRMLL-ZFWWWQNUSA-N 3 1 278.444 2.290 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623402325 350010397 /nfs/dbraw/zinc/01/03/97/350010397.db2.gz GJNIVIYIMGRMLL-ZFWWWQNUSA-N 3 1 278.444 2.290 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc2n[nH]cc21 ZINC000623402454 350010474 /nfs/dbraw/zinc/01/04/74/350010474.db2.gz KMBFCDNQLDEVAL-LBPRGKRZSA-N 2 1 283.379 2.494 20 0 CEADMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623412973 350012979 /nfs/dbraw/zinc/01/29/79/350012979.db2.gz GGNOEQYHOJGFNW-HNNXBMFYSA-N 2 1 261.413 2.395 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)C(C)(C)C2)C[N@H+]1C1CC1 ZINC000623443260 350022334 /nfs/dbraw/zinc/02/23/34/350022334.db2.gz WVKWCFMERQRVEQ-RDBSUJKOSA-N 2 1 265.445 2.074 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C[NH+]1C1CC1 ZINC000623443260 350022338 /nfs/dbraw/zinc/02/23/38/350022338.db2.gz WVKWCFMERQRVEQ-RDBSUJKOSA-N 2 1 265.445 2.074 20 0 CEADMP CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623645703 350073111 /nfs/dbraw/zinc/07/31/11/350073111.db2.gz KVRINOBAFFTFJP-ZIAGYGMSSA-N 2 1 256.434 2.246 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCC(C)(C)O2)CC1(C)C ZINC000623496626 350034867 /nfs/dbraw/zinc/03/48/67/350034867.db2.gz DWTZUWNZDLXCPE-CHWSQXEVSA-N 2 1 254.418 2.406 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCC[C@H]2CCOC2)CC1(C)C ZINC000623542282 350045756 /nfs/dbraw/zinc/04/57/56/350045756.db2.gz UPNQVTYPLBPLOM-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)CC1(C)C ZINC000623542498 350045827 /nfs/dbraw/zinc/04/58/27/350045827.db2.gz CVJTUCIHLCWVKP-GFCCVEGCSA-N 2 1 256.434 2.246 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC(F)(F)CC2)CC1(C)C ZINC000623573449 350054492 /nfs/dbraw/zinc/05/44/92/350054492.db2.gz JAOHYWIALNOTDW-GFCCVEGCSA-N 2 1 290.398 2.389 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2ccccc2NC(C)=O)CC1 ZINC000090962313 180076193 /nfs/dbraw/zinc/07/61/93/180076193.db2.gz QKEKPJFNCIPWEC-UHFFFAOYSA-N 2 1 275.396 2.219 20 0 CEADMP C[C@@H](CC1CCC1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000669618832 539756125 /nfs/dbraw/zinc/75/61/25/539756125.db2.gz LYWQZLYZQJLOIL-AWEZNQCLSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccco1 ZINC000090937326 180068254 /nfs/dbraw/zinc/06/82/54/180068254.db2.gz LOFSCHOIQVHRLH-CYBMUJFWSA-N 2 1 289.379 2.466 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CCCCO1 ZINC000623998614 350165004 /nfs/dbraw/zinc/16/50/04/350165004.db2.gz XQCVUALPRQOMMU-UKRRQHHQSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CCCOC1 ZINC000624122281 350199658 /nfs/dbraw/zinc/19/96/58/350199658.db2.gz NRBMEBIQWIJBKP-KKUMJFAQSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000352128795 219332185 /nfs/dbraw/zinc/33/21/85/219332185.db2.gz IHUIRAFDUKHYKX-KGLIPLIRSA-N 2 1 295.427 2.165 20 0 CEADMP Fc1ccccc1SCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107574669 186179284 /nfs/dbraw/zinc/17/92/84/186179284.db2.gz WAXIPRWTWUXOIX-RYUDHWBXSA-N 2 1 266.385 2.069 20 0 CEADMP Fc1ccc2c(c1)OCC[N@H+](CCCn1ccnc1)C2 ZINC000626152699 350669352 /nfs/dbraw/zinc/66/93/52/350669352.db2.gz BSRGHJRLQJKMFM-UHFFFAOYSA-N 2 1 275.327 2.307 20 0 CEADMP Fc1ccc2c(c1)OCCN(CCCn1ccnc1)C2 ZINC000626152699 350669353 /nfs/dbraw/zinc/66/93/53/350669353.db2.gz BSRGHJRLQJKMFM-UHFFFAOYSA-N 2 1 275.327 2.307 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(C)c[nH]2)CC1 ZINC000628134521 350973742 /nfs/dbraw/zinc/97/37/42/350973742.db2.gz SCXBNHIIFBAUTC-UHFFFAOYSA-N 2 1 264.417 2.272 20 0 CEADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CC(F)(F)C1 ZINC000628216933 351009184 /nfs/dbraw/zinc/00/91/84/351009184.db2.gz FWRQAZVILHDXMD-GXTWGEPZSA-N 2 1 290.398 2.247 20 0 CEADMP C[C@]1(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CCCS1 ZINC000628217414 351009683 /nfs/dbraw/zinc/00/96/83/351009683.db2.gz VSZZPRSEFFQZJD-HUUCEWRRSA-N 2 1 286.485 2.099 20 0 CEADMP C[NH2+]CCOCC[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000629529896 351395123 /nfs/dbraw/zinc/39/51/23/351395123.db2.gz PVVCKWGBLNAHCM-NSHDSACASA-N 2 1 271.430 2.153 20 0 CEADMP COc1ccncc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000629533959 351396775 /nfs/dbraw/zinc/39/67/75/351396775.db2.gz FOZVUHKDGHUMTM-UKRRQHHQSA-N 2 1 275.396 2.054 20 0 CEADMP COc1ccncc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000629533959 351396779 /nfs/dbraw/zinc/39/67/79/351396779.db2.gz FOZVUHKDGHUMTM-UKRRQHHQSA-N 2 1 275.396 2.054 20 0 CEADMP CCCOc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629389129 351347074 /nfs/dbraw/zinc/34/70/74/351347074.db2.gz YFIGOZJVTRRFJC-UHFFFAOYSA-N 2 1 278.396 2.073 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)C[NH2+]1 ZINC000629397112 351350692 /nfs/dbraw/zinc/35/06/92/351350692.db2.gz SRIVWRUCVIYUMT-GOEBONIOSA-N 2 1 273.424 2.386 20 0 CEADMP CC[C@H](C[N@@H+](C)CCOCC[NH2+]C)c1ccccc1 ZINC000629653765 351451016 /nfs/dbraw/zinc/45/10/16/351451016.db2.gz NDQGNFMEORLAEW-OAHLLOKOSA-N 2 1 264.413 2.348 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc2nc(C)sc2c1 ZINC000629655547 351452485 /nfs/dbraw/zinc/45/24/85/351452485.db2.gz ZERZRWDBJUAUTL-UHFFFAOYSA-N 2 1 293.436 2.273 20 0 CEADMP CC(C)COc1ccc(C[N@@H+](C)CCOCC[NH3+])cc1 ZINC000629663935 351456307 /nfs/dbraw/zinc/45/63/07/351456307.db2.gz NASCSZRDMHKVJS-UHFFFAOYSA-N 2 1 280.412 2.129 20 0 CEADMP C[N@H+](CCOCC[NH3+])Cc1cc(C(F)(F)F)ccc1F ZINC000629665397 351457046 /nfs/dbraw/zinc/45/70/46/351457046.db2.gz VFYKHZVUKNLUPI-UHFFFAOYSA-N 2 1 294.292 2.252 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1cc(C(F)(F)F)ccc1F ZINC000629665397 351457051 /nfs/dbraw/zinc/45/70/51/351457051.db2.gz VFYKHZVUKNLUPI-UHFFFAOYSA-N 2 1 294.292 2.252 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCOC2CCOCC2)[C@@H]1CCC[NH3+] ZINC000629549314 351408216 /nfs/dbraw/zinc/40/82/16/351408216.db2.gz TTZGLSFHNRNSEG-GDBMZVCRSA-N 2 1 284.444 2.021 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)c2ccccc21 ZINC000629550365 351409812 /nfs/dbraw/zinc/40/98/12/351409812.db2.gz XZNMSMKSQVJVGT-BJKJVOPESA-N 2 1 258.365 2.288 20 0 CEADMP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1OC ZINC000629553240 351411380 /nfs/dbraw/zinc/41/13/80/351411380.db2.gz QXDLGSNSOWGSIC-SGMGOOAPSA-N 2 1 278.396 2.147 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](CCc2cccnc2)CC[C@@H]1C(F)(F)F ZINC000629566658 351417011 /nfs/dbraw/zinc/41/70/11/351417011.db2.gz ZVXBAKRIDXTRQN-STQMWFEESA-N 2 1 287.329 2.083 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CCc2cccnc2)CC[C@@H]1C(F)(F)F ZINC000629566658 351417014 /nfs/dbraw/zinc/41/70/14/351417014.db2.gz ZVXBAKRIDXTRQN-STQMWFEESA-N 2 1 287.329 2.083 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](CCc2cccnc2)CC[C@H]1C(F)(F)F ZINC000629566653 351417974 /nfs/dbraw/zinc/41/79/74/351417974.db2.gz ZVXBAKRIDXTRQN-QWHCGFSZSA-N 2 1 287.329 2.083 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](CCc2cccnc2)CC[C@H]1C(F)(F)F ZINC000629566653 351417979 /nfs/dbraw/zinc/41/79/79/351417979.db2.gz ZVXBAKRIDXTRQN-QWHCGFSZSA-N 2 1 287.329 2.083 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000629572595 351419147 /nfs/dbraw/zinc/41/91/47/351419147.db2.gz YEGLZCUZEXVQNE-UHFFFAOYSA-N 2 1 262.353 2.101 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000629570884 351419771 /nfs/dbraw/zinc/41/97/71/351419771.db2.gz GYSUTWMEFFTHAY-NSHDSACASA-N 2 1 272.339 2.194 20 0 CEADMP Cc1oc(-c2ccsc2)nc1C[N@H+](C)CCOCC[NH3+] ZINC000629578573 351420958 /nfs/dbraw/zinc/42/09/58/351420958.db2.gz RUSCLPGCCMUXHK-UHFFFAOYSA-N 2 1 295.408 2.119 20 0 CEADMP Cc1oc(-c2ccsc2)nc1C[N@@H+](C)CCOCC[NH3+] ZINC000629578573 351420963 /nfs/dbraw/zinc/42/09/63/351420963.db2.gz RUSCLPGCCMUXHK-UHFFFAOYSA-N 2 1 295.408 2.119 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170805 363044097 /nfs/dbraw/zinc/04/40/97/363044097.db2.gz REVIZLMOZRBYKK-JKSUJKDBSA-N 2 1 297.487 2.378 20 0 CEADMP FC(F)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000630072651 351602618 /nfs/dbraw/zinc/60/26/18/351602618.db2.gz UGUNKXCDOGESJF-HNNXBMFYSA-N 2 1 296.361 2.188 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(O)CCCCCC1 ZINC000131473643 366056792 /nfs/dbraw/zinc/05/67/92/366056792.db2.gz URZNEMJHTXLYQZ-KBPBESRZSA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH+](CC)CC)CC[N@H+]1C ZINC000630795612 351853798 /nfs/dbraw/zinc/85/37/98/351853798.db2.gz ZSISPEZQDOKEMF-OWCLPIDISA-N 2 1 297.487 2.343 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631035705 351931184 /nfs/dbraw/zinc/93/11/84/351931184.db2.gz VKJIXORZAZRFGE-ZDUSSCGKSA-N 2 1 263.385 2.141 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCOC1 ZINC000631196764 352011669 /nfs/dbraw/zinc/01/16/69/352011669.db2.gz VBKZDQAPKJLHTF-HYVNUMGLSA-N 2 1 274.408 2.133 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292048901 198145349 /nfs/dbraw/zinc/14/53/49/198145349.db2.gz BKAIAGUIZBRRBC-QGZVFWFLSA-N 2 1 288.391 2.001 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292048901 198145351 /nfs/dbraw/zinc/14/53/51/198145351.db2.gz BKAIAGUIZBRRBC-QGZVFWFLSA-N 2 1 288.391 2.001 20 0 CEADMP COC(=O)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292048901 198145352 /nfs/dbraw/zinc/14/53/52/198145352.db2.gz BKAIAGUIZBRRBC-QGZVFWFLSA-N 2 1 288.391 2.001 20 0 CEADMP COC(=O)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292048901 198145354 /nfs/dbraw/zinc/14/53/54/198145354.db2.gz BKAIAGUIZBRRBC-QGZVFWFLSA-N 2 1 288.391 2.001 20 0 CEADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000669694228 539944573 /nfs/dbraw/zinc/94/45/73/539944573.db2.gz IMVNQVOBZBEJRW-HYVNUMGLSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000669694228 539944576 /nfs/dbraw/zinc/94/45/76/539944576.db2.gz IMVNQVOBZBEJRW-HYVNUMGLSA-N 2 1 276.424 2.258 20 0 CEADMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152433192 188018151 /nfs/dbraw/zinc/01/81/51/188018151.db2.gz WOPBYIGNRAALAA-DLBZAZTESA-N 2 1 288.435 2.318 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000153768692 188102432 /nfs/dbraw/zinc/10/24/32/188102432.db2.gz NYXLFOQDHPTXEH-MRXNPFEDSA-N 2 1 292.423 2.458 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2)CC[C@H]1[NH3+] ZINC000251551177 539977495 /nfs/dbraw/zinc/97/74/95/539977495.db2.gz BCQRGEJRDDEJAS-ZIAGYGMSSA-N 2 1 278.396 2.263 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2)CC[C@H]1[NH3+] ZINC000251551177 539977497 /nfs/dbraw/zinc/97/74/97/539977497.db2.gz BCQRGEJRDDEJAS-ZIAGYGMSSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1cccc(Cl)c1 ZINC000131765244 366086942 /nfs/dbraw/zinc/08/69/42/366086942.db2.gz JVHXXYPSIKTJSD-NWDGAFQWSA-N 2 1 268.788 2.388 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000157637281 188329828 /nfs/dbraw/zinc/32/98/28/188329828.db2.gz HROKBBDNRIINIG-BHTHQVBYSA-N 2 1 280.387 2.177 20 0 CEADMP COc1cc(C)ccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000451174325 282910624 /nfs/dbraw/zinc/91/06/24/282910624.db2.gz WOARFTXIJVWLAN-CYBMUJFWSA-N 2 1 250.386 2.291 20 0 CEADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292720297 198388146 /nfs/dbraw/zinc/38/81/46/198388146.db2.gz FEZGMWPDPLBINX-QGZVFWFLSA-N 2 1 287.407 2.173 20 0 CEADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292720297 198388147 /nfs/dbraw/zinc/38/81/47/198388147.db2.gz FEZGMWPDPLBINX-QGZVFWFLSA-N 2 1 287.407 2.173 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292720297 198388148 /nfs/dbraw/zinc/38/81/48/198388148.db2.gz FEZGMWPDPLBINX-QGZVFWFLSA-N 2 1 287.407 2.173 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292720297 198388149 /nfs/dbraw/zinc/38/81/49/198388149.db2.gz FEZGMWPDPLBINX-QGZVFWFLSA-N 2 1 287.407 2.173 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)[C@@H]1C ZINC000495034668 291012211 /nfs/dbraw/zinc/01/22/11/291012211.db2.gz FJWDAAHALCQDCX-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+]C1CC[NH+](C)CC1 ZINC000132379366 366138349 /nfs/dbraw/zinc/13/83/49/366138349.db2.gz YZBQEBSDMLLNNP-GFCCVEGCSA-N 2 1 250.361 2.441 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000074181187 363305605 /nfs/dbraw/zinc/30/56/05/363305605.db2.gz QWWRRAMTXYTCLJ-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP COCCCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000074353933 363329353 /nfs/dbraw/zinc/32/93/53/363329353.db2.gz CGUZYDSNUIETLL-IYBDPMFKSA-N 2 1 298.471 2.234 20 0 CEADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC12CCC2 ZINC000337510144 366157677 /nfs/dbraw/zinc/15/76/77/366157677.db2.gz IJOYLXMLEYROJC-LSDHHAIUSA-N 2 1 266.429 2.146 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2OC(F)F)CC1 ZINC000337559723 366162121 /nfs/dbraw/zinc/16/21/21/366162121.db2.gz ULYCQICTCTZJHW-NWDGAFQWSA-N 2 1 262.344 2.221 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC[N@@H+]1C ZINC000133009549 366187600 /nfs/dbraw/zinc/18/76/00/366187600.db2.gz UEGUGSUHDUWTSK-GDBMZVCRSA-N 2 1 288.439 2.254 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC[N@H+]1C ZINC000133009549 366187610 /nfs/dbraw/zinc/18/76/10/366187610.db2.gz UEGUGSUHDUWTSK-GDBMZVCRSA-N 2 1 288.439 2.254 20 0 CEADMP CC[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451529637 283022721 /nfs/dbraw/zinc/02/27/21/283022721.db2.gz NPRBQRRXKDKVPN-NVXWUHKLSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451529637 283022723 /nfs/dbraw/zinc/02/27/23/283022723.db2.gz NPRBQRRXKDKVPN-NVXWUHKLSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451529637 283022724 /nfs/dbraw/zinc/02/27/24/283022724.db2.gz NPRBQRRXKDKVPN-NVXWUHKLSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451529637 283022726 /nfs/dbraw/zinc/02/27/26/283022726.db2.gz NPRBQRRXKDKVPN-NVXWUHKLSA-N 2 1 295.471 2.051 20 0 CEADMP CCO[C@H]1CC[N@@H+](CCC[NH+](CC)CC)C[C@@H]1C ZINC000451544680 283027948 /nfs/dbraw/zinc/02/79/48/283027948.db2.gz QFIMTGIZXDOQOO-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP CO[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C[C@H]1C ZINC000451555726 283034084 /nfs/dbraw/zinc/03/40/84/283034084.db2.gz CBNBJZCBKGTYBM-UKRRQHHQSA-N 2 1 265.401 2.329 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C[C@H]1C ZINC000451555726 283034087 /nfs/dbraw/zinc/03/40/87/283034087.db2.gz CBNBJZCBKGTYBM-UKRRQHHQSA-N 2 1 265.401 2.329 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000451555967 283034091 /nfs/dbraw/zinc/03/40/91/283034091.db2.gz KLUMQGHLEMEPLG-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP Cc1n[nH]c(C)c1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352535419 219496278 /nfs/dbraw/zinc/49/62/78/219496278.db2.gz QIGWZBJIKZJLRS-UHFFFAOYSA-N 2 1 264.417 2.368 20 0 CEADMP c1cc(CNC[C@@H]2CC[N@H+](C3CC3)C2)nc2c1CCC2 ZINC000569932753 299227596 /nfs/dbraw/zinc/22/75/96/299227596.db2.gz ZXTIAWMQPCGMGO-ZDUSSCGKSA-N 2 1 271.408 2.144 20 0 CEADMP c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)nc2c1CCC2 ZINC000569932753 299227597 /nfs/dbraw/zinc/22/75/97/299227597.db2.gz ZXTIAWMQPCGMGO-ZDUSSCGKSA-N 2 1 271.408 2.144 20 0 CEADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)nc2c1CCC2 ZINC000569932753 299227598 /nfs/dbraw/zinc/22/75/98/299227598.db2.gz ZXTIAWMQPCGMGO-ZDUSSCGKSA-N 2 1 271.408 2.144 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCC[C@H]2O)C1 ZINC000572226720 314124973 /nfs/dbraw/zinc/12/49/73/314124973.db2.gz NGBCODWOELVPAC-ARFHVFGLSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000572226720 314124976 /nfs/dbraw/zinc/12/49/76/314124976.db2.gz NGBCODWOELVPAC-ARFHVFGLSA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000572226720 314124980 /nfs/dbraw/zinc/12/49/80/314124980.db2.gz NGBCODWOELVPAC-ARFHVFGLSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000347307049 540155988 /nfs/dbraw/zinc/15/59/88/540155988.db2.gz HZDSAROSVWLPBL-QLFBSQMISA-N 2 1 255.450 2.037 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000539066790 540198509 /nfs/dbraw/zinc/19/85/09/540198509.db2.gz QINUPMBAGQLXHL-XJKSGUPXSA-N 2 1 262.397 2.433 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc2cnccc2c1 ZINC000683765592 540203277 /nfs/dbraw/zinc/20/32/77/540203277.db2.gz ZDKFFSNYZSVGLC-UHFFFAOYSA-N 2 1 287.407 2.293 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H]3CCCOC3)C2)[nH+]1 ZINC000674301563 540237360 /nfs/dbraw/zinc/23/73/60/540237360.db2.gz STNHDZNGRFMKAL-LSDHHAIUSA-N 2 1 275.396 2.303 20 0 CEADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H]3CCCOC3)C2)[nH+]1 ZINC000674301563 540237361 /nfs/dbraw/zinc/23/73/61/540237361.db2.gz STNHDZNGRFMKAL-LSDHHAIUSA-N 2 1 275.396 2.303 20 0 CEADMP [NH3+]CCC[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000414740555 540245064 /nfs/dbraw/zinc/24/50/64/540245064.db2.gz CZOCZNZKEPQAQT-AWEZNQCLSA-N 2 1 264.344 2.212 20 0 CEADMP COc1ccc(C[C@H](C)C[N@@H+](C)CCC[NH3+])cc1 ZINC000414699270 540244777 /nfs/dbraw/zinc/24/47/77/540244777.db2.gz DVMADRAVYLDVQG-ZDUSSCGKSA-N 2 1 250.386 2.154 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000353064084 283187585 /nfs/dbraw/zinc/18/75/85/283187585.db2.gz WRXUPNHEMWQBRQ-RRFJBIMHSA-N 2 1 267.461 2.322 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000353064084 283187588 /nfs/dbraw/zinc/18/75/88/283187588.db2.gz WRXUPNHEMWQBRQ-RRFJBIMHSA-N 2 1 267.461 2.322 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000353064084 283187590 /nfs/dbraw/zinc/18/75/90/283187590.db2.gz WRXUPNHEMWQBRQ-RRFJBIMHSA-N 2 1 267.461 2.322 20 0 CEADMP CC(C)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC(C)(C)C1 ZINC000452112358 283190684 /nfs/dbraw/zinc/19/06/84/283190684.db2.gz XFPJNYCHCWQITH-HNNXBMFYSA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC(C)(C)C1 ZINC000452112358 283190686 /nfs/dbraw/zinc/19/06/86/283190686.db2.gz XFPJNYCHCWQITH-HNNXBMFYSA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC(C)(C)C1 ZINC000452112358 283190687 /nfs/dbraw/zinc/19/06/87/283190687.db2.gz XFPJNYCHCWQITH-HNNXBMFYSA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC(C)(C)C1 ZINC000452112358 283190690 /nfs/dbraw/zinc/19/06/90/283190690.db2.gz XFPJNYCHCWQITH-HNNXBMFYSA-N 2 1 268.445 2.341 20 0 CEADMP CCc1ccc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000575803447 366359997 /nfs/dbraw/zinc/35/99/97/366359997.db2.gz NKAGHWNXMDFLOD-SJORKVTESA-N 2 1 258.409 2.333 20 0 CEADMP C[C@H]1OCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000093417775 538772175 /nfs/dbraw/zinc/77/21/75/538772175.db2.gz GEFMBONFZDRTEC-LSDHHAIUSA-N 2 1 292.423 2.236 20 0 CEADMP C[C@H]1OCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000093417775 538772182 /nfs/dbraw/zinc/77/21/82/538772182.db2.gz GEFMBONFZDRTEC-LSDHHAIUSA-N 2 1 292.423 2.236 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348099596 538845516 /nfs/dbraw/zinc/84/55/16/538845516.db2.gz BWXMFEFAENQNLA-IRXDYDNUSA-N 2 1 279.472 2.038 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166497900 540304630 /nfs/dbraw/zinc/30/46/30/540304630.db2.gz CHXYCYXKGJPAED-DLBZAZTESA-N 3 1 279.472 2.325 20 0 CEADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000353520663 540316456 /nfs/dbraw/zinc/31/64/56/540316456.db2.gz OLCRGZRKEDBCTR-PMPSAXMXSA-N 2 1 268.445 2.248 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000166373001 540339166 /nfs/dbraw/zinc/33/91/66/540339166.db2.gz TVDVGLQHDFMFDP-CQSZACIVSA-N 2 1 281.444 2.029 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)Nc1cc(CC)[nH+]c(C)n1 ZINC000357776083 540367577 /nfs/dbraw/zinc/36/75/77/540367577.db2.gz SAHXFLXWIPJDGK-LBPRGKRZSA-N 2 1 264.417 2.302 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)Nc1cc(CC)[nH+]c(C)n1 ZINC000357776083 540367579 /nfs/dbraw/zinc/36/75/79/540367579.db2.gz SAHXFLXWIPJDGK-LBPRGKRZSA-N 2 1 264.417 2.302 20 0 CEADMP CCCC[C@H](CC)CC[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358151490 540371952 /nfs/dbraw/zinc/37/19/52/540371952.db2.gz BBJBYRJIGDJXQR-LSDHHAIUSA-N 2 1 256.434 2.249 20 0 CEADMP CCCC[C@H](CC)CC[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358151490 540371956 /nfs/dbraw/zinc/37/19/56/540371956.db2.gz BBJBYRJIGDJXQR-LSDHHAIUSA-N 2 1 256.434 2.249 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000159081270 540398339 /nfs/dbraw/zinc/39/83/39/540398339.db2.gz JYRARIUKTPZUQK-GJZGRUSLSA-N 2 1 274.408 2.484 20 0 CEADMP CCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000135183622 366405465 /nfs/dbraw/zinc/40/54/65/366405465.db2.gz APEAPVQQYQUZOT-QGZVFWFLSA-N 2 1 276.424 2.402 20 0 CEADMP CC(C)[C@H](CO)[C@@H]([NH2+]CCCc1c[nH+]cn1C)C(C)C ZINC000570981553 299287785 /nfs/dbraw/zinc/28/77/85/299287785.db2.gz QVHPCOMYWYAOMT-HOTGVXAUSA-N 2 1 281.444 2.231 20 0 CEADMP CCOC1CC(C[N@H+]2CCC[C@@H](n3ccnc3)C2)C1 ZINC000671680580 540481748 /nfs/dbraw/zinc/48/17/48/540481748.db2.gz PPNUNIVRHWEJOM-SHARSMKWSA-N 2 1 263.385 2.335 20 0 CEADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000496894850 291181360 /nfs/dbraw/zinc/18/13/60/291181360.db2.gz XFSPEGLIXRGIJO-NHYWBVRUSA-N 2 1 289.379 2.031 20 0 CEADMP CN(CCC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1)C(=O)OC(C)(C)C ZINC000496908672 291182688 /nfs/dbraw/zinc/18/26/88/291182688.db2.gz FVPDVXGKACWGGV-INIZCTEOSA-N 2 1 299.459 2.175 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496912805 291182975 /nfs/dbraw/zinc/18/29/75/291182975.db2.gz QJPHQLPWLTVMGU-UTUOFQBUSA-N 2 1 277.368 2.030 20 0 CEADMP Cn1c(C[NH2+][C@H]2CCC[NH2+]CC2)nc2ccc(Cl)cc21 ZINC000666856401 540509986 /nfs/dbraw/zinc/50/99/86/540509986.db2.gz GSKXJXXVRBLXFN-LBPRGKRZSA-N 2 1 292.814 2.458 20 0 CEADMP [NH3+]CCCN(Cc1c[nH+]c2n1CCC2)c1ccccc1F ZINC000667972959 540544010 /nfs/dbraw/zinc/54/40/10/540544010.db2.gz CXJQHTBGCOQZBT-UHFFFAOYSA-N 2 1 288.370 2.324 20 0 CEADMP Fc1ccc(OCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297301137 200140923 /nfs/dbraw/zinc/14/09/23/200140923.db2.gz ABJJZPPJGDSWRB-UHFFFAOYSA-N 2 1 278.371 2.421 20 0 CEADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414961334 296001919 /nfs/dbraw/zinc/00/19/19/296001919.db2.gz YUPVJPPAVHZRRW-LXTVHRRPSA-N 3 1 253.434 2.027 20 0 CEADMP CC[C@H](NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ncc[nH]1 ZINC000140465415 366560340 /nfs/dbraw/zinc/56/03/40/366560340.db2.gz OHMVFGCZYJBXHS-XQHKEYJVSA-N 2 1 278.400 2.238 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000297568408 200230840 /nfs/dbraw/zinc/23/08/40/200230840.db2.gz GOLAXHJLLVTOMD-MBNYWOFBSA-N 2 1 273.384 2.320 20 0 CEADMP C[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000578981277 366574484 /nfs/dbraw/zinc/57/44/84/366574484.db2.gz KAZPMWPSZZFUJW-SGMGOOAPSA-N 2 1 268.426 2.101 20 0 CEADMP C[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000578981277 366574488 /nfs/dbraw/zinc/57/44/88/366574488.db2.gz KAZPMWPSZZFUJW-SGMGOOAPSA-N 2 1 268.426 2.101 20 0 CEADMP CC(C)OC[C@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000578997916 366577779 /nfs/dbraw/zinc/57/77/79/366577779.db2.gz LRHMZAPMHADYSK-HZPDHXFCSA-N 2 1 286.460 2.017 20 0 CEADMP CCc1oc(CNCCC[N@@H+](C)C(C)C)cc1C(=O)OC ZINC000338950435 366585606 /nfs/dbraw/zinc/58/56/06/366585606.db2.gz YOXSRYCKNTVJSS-UHFFFAOYSA-N 2 1 296.411 2.449 20 0 CEADMP c1[nH+]cn2cc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)ccc12 ZINC000297632891 200247598 /nfs/dbraw/zinc/24/75/98/200247598.db2.gz WSGDDYHIQFHIRF-GJZGRUSLSA-N 2 1 270.380 2.051 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1Cc2cc(C)ccc2CC1(C)C ZINC000579240947 366616489 /nfs/dbraw/zinc/61/64/89/366616489.db2.gz BZRKVGKGYLRGTB-QGZVFWFLSA-N 2 1 290.451 2.444 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1Cc2cc(C)ccc2CC1(C)C ZINC000579240947 366616495 /nfs/dbraw/zinc/61/64/95/366616495.db2.gz BZRKVGKGYLRGTB-QGZVFWFLSA-N 2 1 290.451 2.444 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1Cc2cc(C)ccc2CC1(C)C ZINC000579240947 366616500 /nfs/dbraw/zinc/61/65/00/366616500.db2.gz BZRKVGKGYLRGTB-QGZVFWFLSA-N 2 1 290.451 2.444 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1Cc2cc(C)ccc2CC1(C)C ZINC000579240947 366616503 /nfs/dbraw/zinc/61/65/03/366616503.db2.gz BZRKVGKGYLRGTB-QGZVFWFLSA-N 2 1 290.451 2.444 20 0 CEADMP OCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000339073641 366640696 /nfs/dbraw/zinc/64/06/96/366640696.db2.gz CGFWEAYZMPSNRT-HUUCEWRRSA-N 2 1 278.371 2.034 20 0 CEADMP OCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000339073641 366640699 /nfs/dbraw/zinc/64/06/99/366640699.db2.gz CGFWEAYZMPSNRT-HUUCEWRRSA-N 2 1 278.371 2.034 20 0 CEADMP CC[N@@H+](CCn1ccnc1)C[C@@H]1COc2ccccc2O1 ZINC000176935188 189015234 /nfs/dbraw/zinc/01/52/34/189015234.db2.gz GLZMBTCUUGCNQC-CQSZACIVSA-N 2 1 287.363 2.045 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCOc2cccc(F)c2)CC[N@@H+]1C ZINC000178473269 189119759 /nfs/dbraw/zinc/11/97/59/189119759.db2.gz VTXHKKZPHDMYMS-TZMCWYRMSA-N 2 1 266.360 2.277 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCOc2cccc(F)c2)CC[N@H+]1C ZINC000178473269 189119760 /nfs/dbraw/zinc/11/97/60/189119760.db2.gz VTXHKKZPHDMYMS-TZMCWYRMSA-N 2 1 266.360 2.277 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cncc(F)c1 ZINC000178414095 189114185 /nfs/dbraw/zinc/11/41/85/189114185.db2.gz YLCFEZYLQSMVTP-GFCCVEGCSA-N 2 1 251.349 2.357 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342131656 216232761 /nfs/dbraw/zinc/23/27/61/216232761.db2.gz IKYRWAAODKWKGQ-RRFJBIMHSA-N 2 1 298.434 2.175 20 0 CEADMP C[C@H](C[C@H]1CCOC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000675736135 540869863 /nfs/dbraw/zinc/86/98/63/540869863.db2.gz NUJXEAQDZVSBGI-CHWSQXEVSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000675817578 540875862 /nfs/dbraw/zinc/87/58/62/540875862.db2.gz TVCVIJUZMXIACC-IPYPFGDCSA-N 2 1 262.397 2.396 20 0 CEADMP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000675817578 540875865 /nfs/dbraw/zinc/87/58/65/540875865.db2.gz TVCVIJUZMXIACC-IPYPFGDCSA-N 2 1 262.397 2.396 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(CC(F)F)CC2)[C@H](C)C1 ZINC000675792722 540874719 /nfs/dbraw/zinc/87/47/19/540874719.db2.gz SAEQQTMOBULBFR-OCCSQVGLSA-N 2 1 289.414 2.036 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2(CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000675925635 540883336 /nfs/dbraw/zinc/88/33/36/540883336.db2.gz KHZLXVXRGCPUTR-NVXWUHKLSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000675925635 540883337 /nfs/dbraw/zinc/88/33/37/540883337.db2.gz KHZLXVXRGCPUTR-NVXWUHKLSA-N 2 1 288.435 2.402 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3c[nH]nc3c2)C1 ZINC000180042424 189234315 /nfs/dbraw/zinc/23/43/15/189234315.db2.gz IQGPNNKKWYIHHB-CQSZACIVSA-N 2 1 272.396 2.337 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c[nH]nc3c2)C1 ZINC000180042424 189234316 /nfs/dbraw/zinc/23/43/16/189234316.db2.gz IQGPNNKKWYIHHB-CQSZACIVSA-N 2 1 272.396 2.337 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000180042424 189234317 /nfs/dbraw/zinc/23/43/17/189234317.db2.gz IQGPNNKKWYIHHB-CQSZACIVSA-N 2 1 272.396 2.337 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000180042424 189234318 /nfs/dbraw/zinc/23/43/18/189234318.db2.gz IQGPNNKKWYIHHB-CQSZACIVSA-N 2 1 272.396 2.337 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000161995209 541001111 /nfs/dbraw/zinc/00/11/11/541001111.db2.gz ZUAXJSFIWLNPON-UHFFFAOYSA-N 2 1 297.393 2.082 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c[nH]nc4c3)CC[C@@H]21 ZINC000180732015 189272687 /nfs/dbraw/zinc/27/26/87/189272687.db2.gz FOQWUTZPHRTOKV-WBVHZDCISA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)CC[C@@H]21 ZINC000180732015 189272688 /nfs/dbraw/zinc/27/26/88/189272688.db2.gz FOQWUTZPHRTOKV-WBVHZDCISA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)CC[C@@H]21 ZINC000180732015 189272689 /nfs/dbraw/zinc/27/26/89/189272689.db2.gz FOQWUTZPHRTOKV-WBVHZDCISA-N 2 1 284.407 2.479 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]CCC[C@H]1CCO1 ZINC000638675225 370678494 /nfs/dbraw/zinc/67/84/94/370678494.db2.gz QQLIAHWTNHWGPN-AWEZNQCLSA-N 2 1 251.374 2.130 20 0 CEADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237076643 370687608 /nfs/dbraw/zinc/68/76/08/370687608.db2.gz WAULSOZATDYDNE-CVEARBPZSA-N 2 1 289.423 2.019 20 0 CEADMP CCc1nc(N[C@@H](C)C(C)(C)C[NH+](C)C)cc(C)[nH+]1 ZINC000342354566 216323382 /nfs/dbraw/zinc/32/33/82/216323382.db2.gz ZWLVPSODGCMUHZ-LBPRGKRZSA-N 2 1 264.417 2.158 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000580084055 366748269 /nfs/dbraw/zinc/74/82/69/366748269.db2.gz KQXCELPFLHYEBZ-UKRRQHHQSA-N 2 1 282.815 2.100 20 0 CEADMP Cc1cc(C)cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000182956888 189340763 /nfs/dbraw/zinc/34/07/63/189340763.db2.gz XHLVAPJJENHGET-UHFFFAOYSA-N 2 1 289.467 2.373 20 0 CEADMP CCCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1 ZINC000154374918 366770321 /nfs/dbraw/zinc/77/03/21/366770321.db2.gz IYHXCMGHZFPQGH-HZPDHXFCSA-N 2 1 264.413 2.430 20 0 CEADMP COc1ccccc1CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000154558160 366779261 /nfs/dbraw/zinc/77/92/61/366779261.db2.gz ZTTKZJLENFMVKJ-ZFWWWQNUSA-N 2 1 262.397 2.168 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000581831885 366825503 /nfs/dbraw/zinc/82/55/03/366825503.db2.gz AHHJIBARYRJHDW-DOTOQJQBSA-N 2 1 276.424 2.348 20 0 CEADMP Cc1cncc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000184352008 189383401 /nfs/dbraw/zinc/38/34/01/189383401.db2.gz KTIQREIYDRUUHH-NVXWUHKLSA-N 2 1 291.439 2.278 20 0 CEADMP CC(C)CCn1cccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000678342913 541119572 /nfs/dbraw/zinc/11/95/72/541119572.db2.gz GXJJYALKAXYWSQ-GJZGRUSLSA-N 2 1 261.413 2.185 20 0 CEADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000678590402 541154440 /nfs/dbraw/zinc/15/44/40/541154440.db2.gz GNEIKCVGYKEADZ-ABFRBSLYSA-N 2 1 276.424 2.223 20 0 CEADMP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000678590402 541154445 /nfs/dbraw/zinc/15/44/45/541154445.db2.gz GNEIKCVGYKEADZ-ABFRBSLYSA-N 2 1 276.424 2.223 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CC[N@@H+]1C ZINC000678604068 541157262 /nfs/dbraw/zinc/15/72/62/541157262.db2.gz YBOAYQRRCCGBCD-PRLABOORSA-N 3 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CC[N@H+]1C ZINC000678604068 541157267 /nfs/dbraw/zinc/15/72/67/541157267.db2.gz YBOAYQRRCCGBCD-PRLABOORSA-N 3 1 267.461 2.179 20 0 CEADMP c1cn(CCC[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cn1 ZINC000678883245 541187628 /nfs/dbraw/zinc/18/76/28/541187628.db2.gz GEZWYTCWBTZSEV-CALCHBBNSA-N 2 1 296.418 2.341 20 0 CEADMP C[C@H](CCCCO)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000679334481 541258525 /nfs/dbraw/zinc/25/85/25/541258525.db2.gz VVHYEDFSWCGWSV-OWCLPIDISA-N 2 1 270.461 2.495 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000088402617 363893797 /nfs/dbraw/zinc/89/37/97/363893797.db2.gz GYAFZQLVYKFBGS-HNNXBMFYSA-N 2 1 292.423 2.396 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000088402617 363893802 /nfs/dbraw/zinc/89/38/02/363893802.db2.gz GYAFZQLVYKFBGS-HNNXBMFYSA-N 2 1 292.423 2.396 20 0 CEADMP C[C@@H](CCCO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000088503258 363902342 /nfs/dbraw/zinc/90/23/42/363902342.db2.gz NGAOTIHVLNZADR-HNNXBMFYSA-N 2 1 276.424 2.402 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000088868425 363925594 /nfs/dbraw/zinc/92/55/94/363925594.db2.gz ORDSMWSEJMCTBX-LBPRGKRZSA-N 2 1 253.415 2.463 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)[C@H](C)C1 ZINC000090540504 364061742 /nfs/dbraw/zinc/06/17/42/364061742.db2.gz BMTLEBXZJPLIHJ-KLHDSHLOSA-N 2 1 298.496 2.361 20 0 CEADMP Cc1cccnc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000093190858 364149161 /nfs/dbraw/zinc/14/91/61/364149161.db2.gz WVQFWJVXXUZXJX-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccnc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000093190858 364149164 /nfs/dbraw/zinc/14/91/64/364149164.db2.gz WVQFWJVXXUZXJX-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccnc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000093190858 364149169 /nfs/dbraw/zinc/14/91/69/364149169.db2.gz WVQFWJVXXUZXJX-GDBMZVCRSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000334993376 364322085 /nfs/dbraw/zinc/32/20/85/364322085.db2.gz PXDUWWYNARECGB-MRXNPFEDSA-N 2 1 259.397 2.274 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000334993376 364322091 /nfs/dbraw/zinc/32/20/91/364322091.db2.gz PXDUWWYNARECGB-MRXNPFEDSA-N 2 1 259.397 2.274 20 0 CEADMP Nc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000334983760 364309430 /nfs/dbraw/zinc/30/94/30/364309430.db2.gz NYHSMUMWVYGIJV-ZBFHGGJFSA-N 2 1 259.397 2.233 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000335052503 364405281 /nfs/dbraw/zinc/40/52/81/364405281.db2.gz LQYCUCWRUZPYEV-CJNGLKHVSA-N 2 1 273.424 2.475 20 0 CEADMP C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000156733276 366837474 /nfs/dbraw/zinc/83/74/74/366837474.db2.gz JTTBRGMRGFWDHK-QKGCVVFFSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@H](CC(=O)NCC[N@@H+](C)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000156193178 366829138 /nfs/dbraw/zinc/82/91/38/366829138.db2.gz HMNYDDHBHPGNON-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)n1ccc(C[C@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)n1 ZINC000572083819 299344104 /nfs/dbraw/zinc/34/41/04/299344104.db2.gz ULJDIIOZBVLEPE-QWHCGFSZSA-N 2 1 287.411 2.265 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cscn3)C2)CC1 ZINC000335144473 364537106 /nfs/dbraw/zinc/53/71/06/364537106.db2.gz FYCWKGMXCOYSPR-CYBMUJFWSA-N 2 1 265.426 2.307 20 0 CEADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cncc(F)c3)C2)CC1 ZINC000335144405 364537517 /nfs/dbraw/zinc/53/75/17/364537517.db2.gz DGSSVDXSSRRZSZ-HNNXBMFYSA-N 2 1 277.387 2.384 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nccn2C)CC1 ZINC000102514479 364598328 /nfs/dbraw/zinc/59/83/28/364598328.db2.gz JUJBSJMRODUEPH-UHFFFAOYSA-N 2 1 278.444 2.364 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nccn2C)CC1 ZINC000102514479 364598332 /nfs/dbraw/zinc/59/83/32/364598332.db2.gz JUJBSJMRODUEPH-UHFFFAOYSA-N 2 1 278.444 2.364 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000104149174 364681693 /nfs/dbraw/zinc/68/16/93/364681693.db2.gz QZUZCWRTFIXVLF-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCCC12CCN(CC[NH+]1CCCCC1)CC2 ZINC000335366155 364694273 /nfs/dbraw/zinc/69/42/73/364694273.db2.gz KVIWSTALXCIKGW-UHFFFAOYSA-N 2 1 265.445 2.033 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000111696070 364753269 /nfs/dbraw/zinc/75/32/69/364753269.db2.gz SPZMXMDGXAGRBX-WDEREUQCSA-N 2 1 268.323 2.015 20 0 CEADMP Cc1ccn2c(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cnc2c1 ZINC000335631943 212345641 /nfs/dbraw/zinc/34/56/41/212345641.db2.gz DEKDFTJQCXSODG-HOTGVXAUSA-N 2 1 298.434 2.464 20 0 CEADMP Cc1nc(CC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cs1 ZINC000335749259 364926406 /nfs/dbraw/zinc/92/64/06/364926406.db2.gz IVFNSEQMCXEXRC-AWEZNQCLSA-N 2 1 265.426 2.022 20 0 CEADMP Cc1nc(CC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cs1 ZINC000335749259 364926412 /nfs/dbraw/zinc/92/64/12/364926412.db2.gz IVFNSEQMCXEXRC-AWEZNQCLSA-N 2 1 265.426 2.022 20 0 CEADMP Cc1nc(CC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cs1 ZINC000335749259 364926415 /nfs/dbraw/zinc/92/64/15/364926415.db2.gz IVFNSEQMCXEXRC-AWEZNQCLSA-N 2 1 265.426 2.022 20 0 CEADMP Cc1nc(CC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cs1 ZINC000335749259 364926419 /nfs/dbraw/zinc/92/64/19/364926419.db2.gz IVFNSEQMCXEXRC-AWEZNQCLSA-N 2 1 265.426 2.022 20 0 CEADMP CCC[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477132 364947123 /nfs/dbraw/zinc/94/71/23/364947123.db2.gz NRKMOEXGGJHYLR-UHFFFAOYSA-N 2 1 262.401 2.404 20 0 CEADMP CCC[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477132 364947128 /nfs/dbraw/zinc/94/71/28/364947128.db2.gz NRKMOEXGGJHYLR-UHFFFAOYSA-N 2 1 262.401 2.404 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnc3n2CCCC3)[C@@H]2CCC[C@H]21 ZINC000572186135 299351514 /nfs/dbraw/zinc/35/15/14/299351514.db2.gz OSNXQBINTSPFOC-HRCADAONSA-N 2 1 288.439 2.182 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000335780419 364973184 /nfs/dbraw/zinc/97/31/84/364973184.db2.gz NLLBZQANMIHHTD-DGCLKSJQSA-N 2 1 290.436 2.318 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000335780419 364973190 /nfs/dbraw/zinc/97/31/90/364973190.db2.gz NLLBZQANMIHHTD-DGCLKSJQSA-N 2 1 290.436 2.318 20 0 CEADMP Cn1cncc1CC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000336002056 365274723 /nfs/dbraw/zinc/27/47/23/365274723.db2.gz SFUSOVQZBJYDQC-SFHVURJKSA-N 2 1 297.402 2.137 20 0 CEADMP Cc1cccc(N2CCC([NH2+]Cc3cccn3C)CC2)[nH+]1 ZINC000119307895 365251960 /nfs/dbraw/zinc/25/19/60/365251960.db2.gz POGWQPMAHLXFSP-UHFFFAOYSA-N 2 1 284.407 2.487 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cnn(C)c1 ZINC000119644625 365303104 /nfs/dbraw/zinc/30/31/04/365303104.db2.gz SCALFQFTHRMHPK-OAHLLOKOSA-N 2 1 262.401 2.088 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000119983840 365355610 /nfs/dbraw/zinc/35/56/10/365355610.db2.gz CYRCGMBKNMICDV-KFWWJZLASA-N 2 1 266.429 2.218 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N(C)C)c2)CC[N@H+]1C ZINC000119843969 365333708 /nfs/dbraw/zinc/33/37/08/365333708.db2.gz WKNSAOGPPSNGSK-UKRRQHHQSA-N 2 1 261.413 2.325 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]Cc2cncn2C)C[N@@H+]1Cc1ccccc1 ZINC000120289293 365402443 /nfs/dbraw/zinc/40/24/43/365402443.db2.gz ANRIRDRSCYNSRW-NVXWUHKLSA-N 2 1 298.434 2.420 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]Cc2cncn2C)C[N@H+]1Cc1ccccc1 ZINC000120289293 365402448 /nfs/dbraw/zinc/40/24/48/365402448.db2.gz ANRIRDRSCYNSRW-NVXWUHKLSA-N 2 1 298.434 2.420 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(F)c1 ZINC000275841959 193144680 /nfs/dbraw/zinc/14/46/80/193144680.db2.gz JOAKMRXAWAZBCO-CVEARBPZSA-N 2 1 280.387 2.323 20 0 CEADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@]1(C)CCCO1 ZINC000340480578 366902572 /nfs/dbraw/zinc/90/25/72/366902572.db2.gz SAOZOIQXTKWQGT-HZPDHXFCSA-N 2 1 296.455 2.179 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000582677639 366944560 /nfs/dbraw/zinc/94/45/60/366944560.db2.gz SXKXTCLZOIJQMJ-ZVDSWSACSA-N 2 1 267.461 2.212 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](CO)C1CCCCC1 ZINC000340485076 366904709 /nfs/dbraw/zinc/90/47/09/366904709.db2.gz QNYNRYGVROXXTK-BMFZPTHFSA-N 2 1 268.445 2.105 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccccc1 ZINC000582763717 366954424 /nfs/dbraw/zinc/95/44/24/366954424.db2.gz ZEYPPZZKWABKTO-HOTGVXAUSA-N 2 1 262.397 2.136 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccccc1 ZINC000582763717 366954429 /nfs/dbraw/zinc/95/44/29/366954429.db2.gz ZEYPPZZKWABKTO-HOTGVXAUSA-N 2 1 262.397 2.136 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000582763717 366954436 /nfs/dbraw/zinc/95/44/36/366954436.db2.gz ZEYPPZZKWABKTO-HOTGVXAUSA-N 2 1 262.397 2.136 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000582763717 366954443 /nfs/dbraw/zinc/95/44/43/366954443.db2.gz ZEYPPZZKWABKTO-HOTGVXAUSA-N 2 1 262.397 2.136 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@@H+](C)CCC[NH3+])cc1F ZINC000583204444 367015011 /nfs/dbraw/zinc/01/50/11/367015011.db2.gz LQGMAOYFGBFMCM-GFCCVEGCSA-N 2 1 268.376 2.294 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C)C2(CCCCC2)C1 ZINC000583330406 367034103 /nfs/dbraw/zinc/03/41/03/367034103.db2.gz YPHGQZTXIDPHFJ-INIZCTEOSA-N 2 1 279.472 2.421 20 0 CEADMP CCCc1ncc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)o1 ZINC000583625170 367074594 /nfs/dbraw/zinc/07/45/94/367074594.db2.gz ODRFKVCCLWYPMY-WCQYABFASA-N 2 1 251.374 2.105 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CN1CC(C)(C)C1 ZINC000583881281 367110095 /nfs/dbraw/zinc/11/00/95/367110095.db2.gz XEJNGEIVKNWDIY-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341046368 367147103 /nfs/dbraw/zinc/14/71/03/367147103.db2.gz BBWPVOUNUOSNRW-HRCADAONSA-N 2 1 295.471 2.240 20 0 CEADMP N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000584524258 367167558 /nfs/dbraw/zinc/16/75/58/367167558.db2.gz BBTLKLWCUWJTGL-ZIAGYGMSSA-N 3 1 276.409 2.293 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)CC1 ZINC000245691956 370858804 /nfs/dbraw/zinc/85/88/04/370858804.db2.gz BMYGNXIQXWNAOC-SJORKVTESA-N 2 1 277.456 2.055 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000163198330 367223974 /nfs/dbraw/zinc/22/39/74/367223974.db2.gz OUCKZSQOYOLVTL-PWSUYJOCSA-N 2 1 252.333 2.003 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000163198330 367223978 /nfs/dbraw/zinc/22/39/78/367223978.db2.gz OUCKZSQOYOLVTL-PWSUYJOCSA-N 2 1 252.333 2.003 20 0 CEADMP Cn1cnc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc21 ZINC000341187584 367213165 /nfs/dbraw/zinc/21/31/65/367213165.db2.gz NJNKEKVTJFCZFG-LSDHHAIUSA-N 2 1 284.407 2.290 20 0 CEADMP Cn1cnc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc21 ZINC000341187583 367213431 /nfs/dbraw/zinc/21/34/31/367213431.db2.gz NJNKEKVTJFCZFG-HUUCEWRRSA-N 2 1 284.407 2.290 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1F ZINC000163197975 367224468 /nfs/dbraw/zinc/22/44/68/367224468.db2.gz OUCKZSQOYOLVTL-CMPLNLGQSA-N 2 1 252.333 2.003 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1F ZINC000163197975 367224472 /nfs/dbraw/zinc/22/44/72/367224472.db2.gz OUCKZSQOYOLVTL-CMPLNLGQSA-N 2 1 252.333 2.003 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1C[NH3+] ZINC000163795929 367264875 /nfs/dbraw/zinc/26/48/75/367264875.db2.gz WHZFIMAUVYJXIP-ZBFHGGJFSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@@H+](C)C1CC1 ZINC000167336682 367338268 /nfs/dbraw/zinc/33/82/68/367338268.db2.gz VVQRFXILVAHMOR-CZUORRHYSA-N 2 1 289.423 2.066 20 0 CEADMP C[C@H]1C[C@H](NC2CC[NH+](C3CCCC3)CC2)CC[N@H+]1C ZINC000166399864 367322148 /nfs/dbraw/zinc/32/21/48/367322148.db2.gz XYGLASRLLCINBT-GOEBONIOSA-N 2 1 279.472 2.466 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631579057 367416200 /nfs/dbraw/zinc/41/62/00/367416200.db2.gz BSMOBIBYVIYPFZ-VGWMRTNUSA-N 2 1 278.440 2.266 20 0 CEADMP CC1(C)CC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000342663731 367474021 /nfs/dbraw/zinc/47/40/21/367474021.db2.gz BGKBZODLPBMZDY-SJLPKXTDSA-N 2 1 288.435 2.402 20 0 CEADMP CC1(C)CC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000342663731 367474027 /nfs/dbraw/zinc/47/40/27/367474027.db2.gz BGKBZODLPBMZDY-SJLPKXTDSA-N 2 1 288.435 2.402 20 0 CEADMP CC[C@H](CO)[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000342637124 367461628 /nfs/dbraw/zinc/46/16/28/367461628.db2.gz MFBARWIPNCFFNM-QGZVFWFLSA-N 2 1 287.407 2.465 20 0 CEADMP CC[C@H](CO)[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000342637124 367461631 /nfs/dbraw/zinc/46/16/31/367461631.db2.gz MFBARWIPNCFFNM-QGZVFWFLSA-N 2 1 287.407 2.465 20 0 CEADMP Cc1cc(C)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000631823985 367561502 /nfs/dbraw/zinc/56/15/02/367561502.db2.gz RYYCETVSJUDRGA-MRXNPFEDSA-N 2 1 259.397 2.192 20 0 CEADMP Cc1cc(C)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000631823985 367561505 /nfs/dbraw/zinc/56/15/05/367561505.db2.gz RYYCETVSJUDRGA-MRXNPFEDSA-N 2 1 259.397 2.192 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)CC[C@H]1[NH3+] ZINC000631824884 367562718 /nfs/dbraw/zinc/56/27/18/367562718.db2.gz TTZPLKBZJQGTTA-CXAGYDPISA-N 2 1 274.408 2.319 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000171238783 367500849 /nfs/dbraw/zinc/50/08/49/367500849.db2.gz MLJYJWYBDWAQIU-ZNMIVQPWSA-N 2 1 295.471 2.237 20 0 CEADMP CN(Cc1cccc2nccn21)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000342724643 367501279 /nfs/dbraw/zinc/50/12/79/367501279.db2.gz LFMVKAXUAABGKN-CQSZACIVSA-N 2 1 270.380 2.003 20 0 CEADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)cc2)c1 ZINC000631885715 367609477 /nfs/dbraw/zinc/60/94/77/367609477.db2.gz BJXHCBWLIGEYNM-FUHWJXTLSA-N 2 1 296.418 2.446 20 0 CEADMP c1ccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887345 367609530 /nfs/dbraw/zinc/60/95/30/367609530.db2.gz QMWPMNQVTVSBNF-GOEBONIOSA-N 2 1 260.381 2.139 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c2c(c1)COCC2 ZINC000631891391 367612258 /nfs/dbraw/zinc/61/22/58/367612258.db2.gz YODXUSQSWXIYHH-KDOFPFPSSA-N 2 1 286.419 2.333 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@H]1NCCC[NH+](C)C1CCCCC1 ZINC000343050177 367645540 /nfs/dbraw/zinc/64/55/40/367645540.db2.gz CBNNNYSIJVLERL-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[NH+](C)C[C@H]1NCCC[N@H+](C)C1CCCCC1 ZINC000343050177 367645542 /nfs/dbraw/zinc/64/55/42/367645542.db2.gz CBNNNYSIJVLERL-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[NH+](C)C[C@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000343050177 367645545 /nfs/dbraw/zinc/64/55/45/367645545.db2.gz CBNNNYSIJVLERL-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1CCCC[NH+]1CC(O)C[N@@H+]1CCCC[C@H]1C ZINC000245950484 370893620 /nfs/dbraw/zinc/89/36/20/370893620.db2.gz LBIMATGZSLYGRB-ZIAGYGMSSA-N 2 1 254.418 2.096 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC000343511045 367853162 /nfs/dbraw/zinc/85/31/62/367853162.db2.gz WCPGQOYSJVKIFY-CAOSSQGBSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC000343511045 367853167 /nfs/dbraw/zinc/85/31/67/367853167.db2.gz WCPGQOYSJVKIFY-CAOSSQGBSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000343511045 367853172 /nfs/dbraw/zinc/85/31/72/367853172.db2.gz WCPGQOYSJVKIFY-CAOSSQGBSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000343511045 367853178 /nfs/dbraw/zinc/85/31/78/367853178.db2.gz WCPGQOYSJVKIFY-CAOSSQGBSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000343621694 367923029 /nfs/dbraw/zinc/92/30/29/367923029.db2.gz UTBTYQRUMIBSBF-TXCZRRACSA-N 2 1 282.472 2.494 20 0 CEADMP C[C@H]1CN(C)C[C@@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000343698908 367959381 /nfs/dbraw/zinc/95/93/81/367959381.db2.gz XIMGUNFEECPKJJ-ILXRZTDVSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H]1CN(C)C[C@@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000343698908 367959386 /nfs/dbraw/zinc/95/93/86/367959386.db2.gz XIMGUNFEECPKJJ-ILXRZTDVSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000345151548 368172388 /nfs/dbraw/zinc/17/23/88/368172388.db2.gz CVPXGEDZTGZJND-JKSUJKDBSA-N 2 1 278.444 2.373 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+](C)C1CCCCC1 ZINC000345044068 368139564 /nfs/dbraw/zinc/13/95/64/368139564.db2.gz LXFJXNBZBAEWMC-GASCZTMLSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000345044068 368139571 /nfs/dbraw/zinc/13/95/71/368139571.db2.gz LXFJXNBZBAEWMC-GASCZTMLSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000345044068 368139575 /nfs/dbraw/zinc/13/95/75/368139575.db2.gz LXFJXNBZBAEWMC-GASCZTMLSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000345064424 368143367 /nfs/dbraw/zinc/14/33/67/368143367.db2.gz DIUSSTQILOUACP-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCOC2)c1 ZINC000176490792 368245092 /nfs/dbraw/zinc/24/50/92/368245092.db2.gz KJNPBBCNPBNNSY-MRXNPFEDSA-N 2 1 262.397 2.405 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000572611846 299384247 /nfs/dbraw/zinc/38/42/47/299384247.db2.gz IHPJQHAFXGWEGE-CABCVRRESA-N 2 1 266.429 2.267 20 0 CEADMP CC[NH+](CC)CCCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000346130302 368552701 /nfs/dbraw/zinc/55/27/01/368552701.db2.gz HGNZKNJBBHHDTB-GASCZTMLSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000346140497 368558852 /nfs/dbraw/zinc/55/88/52/368558852.db2.gz YCMGEIRUGDWLSY-GASCZTMLSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1nn(-c2ccncc2)cc1CN1C[C@@H](C)OC[C@H]1C ZINC000346150030 368562578 /nfs/dbraw/zinc/56/25/78/368562578.db2.gz MCHUBJCFDJXKLC-CHWSQXEVSA-N 2 1 286.379 2.185 20 0 CEADMP CSCC[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346194399 368586612 /nfs/dbraw/zinc/58/66/12/368586612.db2.gz GGQZBJNQWYGKIR-UHFFFAOYSA-N 2 1 276.409 2.371 20 0 CEADMP CCOC[C@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000182782600 368589266 /nfs/dbraw/zinc/58/92/66/368589266.db2.gz DBOSXGZELWUJEQ-AWEZNQCLSA-N 2 1 251.374 2.022 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C[C@@H](C)O)C(C)C ZINC000346210435 368593331 /nfs/dbraw/zinc/59/33/31/368593331.db2.gz OMZZVUWDFIUIQS-CYBMUJFWSA-N 2 1 288.395 2.167 20 0 CEADMP CC[N@@H+]1C[C@H](N[C@@H]2CC[NH+](CC3CCCC3)C2)[C@@H](C)C1 ZINC000346259135 368610763 /nfs/dbraw/zinc/61/07/63/368610763.db2.gz IWAPAYSDLCNTOP-UAGQMJEPSA-N 2 1 279.472 2.181 20 0 CEADMP CC[NH+]1C[C@H](N[C@@H]2CC[N@H+](CC3CCCC3)C2)[C@@H](C)C1 ZINC000346259135 368610766 /nfs/dbraw/zinc/61/07/66/368610766.db2.gz IWAPAYSDLCNTOP-UAGQMJEPSA-N 2 1 279.472 2.181 20 0 CEADMP CC[NH+]1C[C@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[C@@H](C)C1 ZINC000346259135 368610770 /nfs/dbraw/zinc/61/07/70/368610770.db2.gz IWAPAYSDLCNTOP-UAGQMJEPSA-N 2 1 279.472 2.181 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000346343898 368644441 /nfs/dbraw/zinc/64/44/41/368644441.db2.gz TWHBGTHXLXPPTG-FZKCQIBNSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000346343898 368644444 /nfs/dbraw/zinc/64/44/44/368644444.db2.gz TWHBGTHXLXPPTG-FZKCQIBNSA-N 2 1 295.471 2.190 20 0 CEADMP c1ccc(N2CCC[N@@H+](CCC[NH+]3CCCC3)CC2)nc1 ZINC000183795299 368650214 /nfs/dbraw/zinc/65/02/14/368650214.db2.gz ALWDVYRYPRYIGD-UHFFFAOYSA-N 2 1 288.439 2.080 20 0 CEADMP c1ccc(N2CCC[N@H+](CCC[NH+]3CCCC3)CC2)nc1 ZINC000183795299 368650219 /nfs/dbraw/zinc/65/02/19/368650219.db2.gz ALWDVYRYPRYIGD-UHFFFAOYSA-N 2 1 288.439 2.080 20 0 CEADMP c1cn(CCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000246009283 370898731 /nfs/dbraw/zinc/89/87/31/370898731.db2.gz XYTJTFXTUJQIPK-DOTOQJQBSA-N 2 1 288.439 2.222 20 0 CEADMP c1cn(CCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000246009283 370898735 /nfs/dbraw/zinc/89/87/35/370898735.db2.gz XYTJTFXTUJQIPK-DOTOQJQBSA-N 2 1 288.439 2.222 20 0 CEADMP c1cn(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000246009283 370898736 /nfs/dbraw/zinc/89/87/36/370898736.db2.gz XYTJTFXTUJQIPK-DOTOQJQBSA-N 2 1 288.439 2.222 20 0 CEADMP c1cn(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000246009283 370898740 /nfs/dbraw/zinc/89/87/40/370898740.db2.gz XYTJTFXTUJQIPK-DOTOQJQBSA-N 2 1 288.439 2.222 20 0 CEADMP Cc1ccc(OCC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000358092729 370901723 /nfs/dbraw/zinc/90/17/23/370901723.db2.gz XPRNSFMIFPWWHJ-HOCLYGCPSA-N 2 1 262.397 2.304 20 0 CEADMP CO[C@H](C)CC[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000346432513 368673025 /nfs/dbraw/zinc/67/30/25/368673025.db2.gz PNTXOKWCGPGKGR-GFCCVEGCSA-N 2 1 297.468 2.424 20 0 CEADMP CO[C@H](C)CC[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000346432513 368673034 /nfs/dbraw/zinc/67/30/34/368673034.db2.gz PNTXOKWCGPGKGR-GFCCVEGCSA-N 2 1 297.468 2.424 20 0 CEADMP CO[C@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)C1CCCCC1 ZINC000639049642 370926714 /nfs/dbraw/zinc/92/67/14/370926714.db2.gz WTEOURIMMXZRIV-MRXNPFEDSA-N 2 1 298.471 2.018 20 0 CEADMP CCOCc1cc(C[NH+]2CCC([NH3+])CC2)ccc1OC ZINC000346629579 368741142 /nfs/dbraw/zinc/74/11/42/368741142.db2.gz BFTOVSGRWSTDOC-UHFFFAOYSA-N 2 1 278.396 2.155 20 0 CEADMP C[C@@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000246104655 370909759 /nfs/dbraw/zinc/90/97/59/370909759.db2.gz CTRSJLNVNYWHBI-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC000037874330 296127630 /nfs/dbraw/zinc/12/76/30/296127630.db2.gz CPUYXCKQJJZASO-BWAJOPIQSA-N 2 1 280.456 2.103 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000346678654 368766111 /nfs/dbraw/zinc/76/61/11/368766111.db2.gz LLAPICWTGKPFEI-UHFFFAOYSA-N 2 1 263.385 2.062 20 0 CEADMP CC(=O)Nc1ccccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346678654 368766115 /nfs/dbraw/zinc/76/61/15/368766115.db2.gz LLAPICWTGKPFEI-UHFFFAOYSA-N 2 1 263.385 2.062 20 0 CEADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1)CC(C)(C)C[NH3+] ZINC000346694143 368776179 /nfs/dbraw/zinc/77/61/79/368776179.db2.gz SDESQSPSNBLYOI-UHFFFAOYSA-N 2 1 272.396 2.493 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000185125285 368752101 /nfs/dbraw/zinc/75/21/01/368752101.db2.gz PWHWOMJFDAFQGQ-HNNXBMFYSA-N 2 1 288.395 2.133 20 0 CEADMP COC1CC([NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000347422164 368808603 /nfs/dbraw/zinc/80/86/03/368808603.db2.gz WLQANSLNHPXHHH-UHFFFAOYSA-N 2 1 275.396 2.126 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC[C@H]1CCCCO1 ZINC000347481826 368810821 /nfs/dbraw/zinc/81/08/21/368810821.db2.gz KSCJYRYSHLLIPQ-QBPKDAKJSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC1(O)CCC1 ZINC000634724826 368840699 /nfs/dbraw/zinc/84/06/99/368840699.db2.gz YGZKCLAVTQQYGN-WBVHZDCISA-N 2 1 288.435 2.259 20 0 CEADMP C[C@@H]([NH2+]CCn1cccn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185680743 368841813 /nfs/dbraw/zinc/84/18/13/368841813.db2.gz YRWQZTVKPKTAIR-CABCVRRESA-N 2 1 276.428 2.126 20 0 CEADMP CCC1(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCOCC1 ZINC000346830931 368790933 /nfs/dbraw/zinc/79/09/33/368790933.db2.gz PSNLVLJAQBUHBV-ZNMIVQPWSA-N 2 1 266.429 2.252 20 0 CEADMP CC(C)[C@@H]1CC[N@H+]1C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000634647384 368794504 /nfs/dbraw/zinc/79/45/04/368794504.db2.gz XGIMLKNLGXYDNM-ZWKOTPCHSA-N 2 1 288.435 2.354 20 0 CEADMP CC(C)[C@@H]1CC[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634647384 368794508 /nfs/dbraw/zinc/79/45/08/368794508.db2.gz XGIMLKNLGXYDNM-ZWKOTPCHSA-N 2 1 288.435 2.354 20 0 CEADMP CC(C)[C@@H]1CC[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634647384 368794511 /nfs/dbraw/zinc/79/45/11/368794511.db2.gz XGIMLKNLGXYDNM-ZWKOTPCHSA-N 2 1 288.435 2.354 20 0 CEADMP CC(C)[C@@H]1CC[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634647384 368794515 /nfs/dbraw/zinc/79/45/15/368794515.db2.gz XGIMLKNLGXYDNM-ZWKOTPCHSA-N 2 1 288.435 2.354 20 0 CEADMP CC(C)[C@@H]1CC[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634647384 368794520 /nfs/dbraw/zinc/79/45/20/368794520.db2.gz XGIMLKNLGXYDNM-ZWKOTPCHSA-N 2 1 288.435 2.354 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCCC[C@H]3CC[NH3+])c2c1C ZINC000634809267 368898179 /nfs/dbraw/zinc/89/81/79/368898179.db2.gz NOCPOPMZMNYYIL-LBPRGKRZSA-N 2 1 273.384 2.282 20 0 CEADMP Cc1ccc(CCC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cn1 ZINC000634733870 368846567 /nfs/dbraw/zinc/84/65/67/368846567.db2.gz PZLQWVBPQLVTGY-CVEARBPZSA-N 2 1 259.397 2.054 20 0 CEADMP Cc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C2CC2)cc1 ZINC000348259620 368973087 /nfs/dbraw/zinc/97/30/87/368973087.db2.gz GWVAXZODEAKBGX-DLBZAZTESA-N 2 1 274.408 2.102 20 0 CEADMP Cc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C2CC2)cc1 ZINC000348259620 368973091 /nfs/dbraw/zinc/97/30/91/368973091.db2.gz GWVAXZODEAKBGX-DLBZAZTESA-N 2 1 274.408 2.102 20 0 CEADMP CCOC(=O)C[C@@](C)([NH2+]CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000186690606 369020772 /nfs/dbraw/zinc/02/07/72/369020772.db2.gz SJCLGBUJSFZFSR-GDBMZVCRSA-N 2 1 284.444 2.428 20 0 CEADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000348379605 369024550 /nfs/dbraw/zinc/02/45/50/369024550.db2.gz KFFJUQPWZBGRPG-XQQFMLRXSA-N 2 1 296.377 2.400 20 0 CEADMP CC(C)c1nc(CC[NH2+]CC23CC(C2)C[NH2+]3)cs1 ZINC000634995917 369024905 /nfs/dbraw/zinc/02/49/05/369024905.db2.gz SYWUSCPUEKFROZ-UHFFFAOYSA-N 2 1 265.426 2.151 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nccc3ccccc32)C[C@H]1C[NH3+] ZINC000634998234 369030458 /nfs/dbraw/zinc/03/04/58/369030458.db2.gz CIXZNTARDXHRRU-GXTWGEPZSA-N 2 1 255.365 2.261 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(Cl)c1OC ZINC000634999493 369034051 /nfs/dbraw/zinc/03/40/51/369034051.db2.gz VJFFUKOTZMTBOO-ZYHUDNBSSA-N 2 1 298.814 2.384 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(Cl)c1OC ZINC000634999493 369034056 /nfs/dbraw/zinc/03/40/56/369034056.db2.gz VJFFUKOTZMTBOO-ZYHUDNBSSA-N 2 1 298.814 2.384 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000635004542 369040197 /nfs/dbraw/zinc/04/01/97/369040197.db2.gz PMEYNKPTISONBG-OVWQWFNUSA-N 2 1 289.467 2.470 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000635004542 369040201 /nfs/dbraw/zinc/04/02/01/369040201.db2.gz PMEYNKPTISONBG-OVWQWFNUSA-N 3 1 289.467 2.470 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000635004542 369040205 /nfs/dbraw/zinc/04/02/05/369040205.db2.gz PMEYNKPTISONBG-OVWQWFNUSA-N 3 1 289.467 2.470 20 0 CEADMP c1cnc2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)ccc2n1 ZINC000634951142 368985495 /nfs/dbraw/zinc/98/54/95/368985495.db2.gz NSSZVFIAHBUJFW-UHFFFAOYSA-N 2 1 282.391 2.346 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC000635135721 369087160 /nfs/dbraw/zinc/08/71/60/369087160.db2.gz DEYTZKOWXQTAHR-HUUCEWRRSA-N 2 1 292.427 2.071 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@@H](C)C1 ZINC000635011948 369050443 /nfs/dbraw/zinc/05/04/43/369050443.db2.gz RNXNMOXUXDVPAU-KBXCAEBGSA-N 3 1 287.451 2.152 20 0 CEADMP CC[N@@H+]1CC[C@@H](NCc2cccc3c2CC[NH2+]C3)[C@@H](C)C1 ZINC000635011948 369050447 /nfs/dbraw/zinc/05/04/47/369050447.db2.gz RNXNMOXUXDVPAU-KBXCAEBGSA-N 2 1 287.451 2.152 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2cccc3c2CC[NH2+]C3)[C@@H](C)C1 ZINC000635011948 369050449 /nfs/dbraw/zinc/05/04/49/369050449.db2.gz RNXNMOXUXDVPAU-KBXCAEBGSA-N 2 1 287.451 2.152 20 0 CEADMP CCN1CC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@@H](C)C1 ZINC000635011948 369050452 /nfs/dbraw/zinc/05/04/52/369050452.db2.gz RNXNMOXUXDVPAU-KBXCAEBGSA-N 2 1 287.451 2.152 20 0 CEADMP CC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1nccn1C ZINC000635011595 369050575 /nfs/dbraw/zinc/05/05/75/369050575.db2.gz RBSBMJHQRHASPB-MRXNPFEDSA-N 2 1 284.407 2.307 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000348765609 369147222 /nfs/dbraw/zinc/14/72/22/369147222.db2.gz RPWYTTHLBFIRNF-IUODEOHRSA-N 2 1 271.364 2.346 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC1(O)CCCCCC1 ZINC000187325878 369139669 /nfs/dbraw/zinc/13/96/69/369139669.db2.gz GSZYNKKDKGAIRE-HNNXBMFYSA-N 2 1 268.445 2.488 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC1(O)CCCCCC1 ZINC000187325878 369139671 /nfs/dbraw/zinc/13/96/71/369139671.db2.gz GSZYNKKDKGAIRE-HNNXBMFYSA-N 2 1 268.445 2.488 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC1(O)CCCCCC1 ZINC000187325878 369139674 /nfs/dbraw/zinc/13/96/74/369139674.db2.gz GSZYNKKDKGAIRE-HNNXBMFYSA-N 2 1 268.445 2.488 20 0 CEADMP CCCC[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635543883 369212180 /nfs/dbraw/zinc/21/21/80/369212180.db2.gz ZMVYAEDQJMXSDE-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP COC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000187704800 369206686 /nfs/dbraw/zinc/20/66/86/369206686.db2.gz ARBFPQSLOJAPCQ-RDJZCZTQSA-N 2 1 298.471 2.282 20 0 CEADMP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)CC(C)C ZINC000635556363 369218128 /nfs/dbraw/zinc/21/81/28/369218128.db2.gz NGFFMWZCGYOLGT-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)CC1(SC)CC1 ZINC000349072416 369234915 /nfs/dbraw/zinc/23/49/15/369234915.db2.gz IKXDACKRUDXCNC-HNNXBMFYSA-N 2 1 299.528 2.230 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000187763625 369220077 /nfs/dbraw/zinc/22/00/77/369220077.db2.gz HNALSFNGJLYOOO-AWEZNQCLSA-N 2 1 282.403 2.315 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000349122752 369246708 /nfs/dbraw/zinc/24/67/08/369246708.db2.gz ZWGMZSCAXPIRMD-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1cnc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000349833778 369416298 /nfs/dbraw/zinc/41/62/98/369416298.db2.gz LRCLWYZBZRLLIN-WZRBSPASSA-N 2 1 267.442 2.485 20 0 CEADMP COCC1(C[N@H+]2CCCC23CC[NH+](C)CC3)CCC1 ZINC000639082674 370956237 /nfs/dbraw/zinc/95/62/37/370956237.db2.gz VORPIISMUNXTPF-UHFFFAOYSA-N 2 1 266.429 2.363 20 0 CEADMP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000358224641 370958011 /nfs/dbraw/zinc/95/80/11/370958011.db2.gz CAYLLFPCTQOMIJ-JKSUJKDBSA-N 2 1 298.377 2.318 20 0 CEADMP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000358224641 370958020 /nfs/dbraw/zinc/95/80/20/370958020.db2.gz CAYLLFPCTQOMIJ-JKSUJKDBSA-N 2 1 298.377 2.318 20 0 CEADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358249664 370971853 /nfs/dbraw/zinc/97/18/53/370971853.db2.gz KTEMPUYCWCPWQT-WMLDXEAASA-N 2 1 292.423 2.191 20 0 CEADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358249664 370971858 /nfs/dbraw/zinc/97/18/58/370971858.db2.gz KTEMPUYCWCPWQT-WMLDXEAASA-N 2 1 292.423 2.191 20 0 CEADMP Cn1c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc2ccccc21 ZINC000639113728 370990231 /nfs/dbraw/zinc/99/02/31/370990231.db2.gz SRQGTZLVBIJCRD-GASCZTMLSA-N 2 1 269.392 2.172 20 0 CEADMP Cn1c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc2ccccc21 ZINC000639113728 370990237 /nfs/dbraw/zinc/99/02/37/370990237.db2.gz SRQGTZLVBIJCRD-GASCZTMLSA-N 2 1 269.392 2.172 20 0 CEADMP Cn1c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc2ccccc21 ZINC000639113728 370990242 /nfs/dbraw/zinc/99/02/42/370990242.db2.gz SRQGTZLVBIJCRD-GASCZTMLSA-N 2 1 269.392 2.172 20 0 CEADMP Cn1c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc2ccccc21 ZINC000639113728 370990250 /nfs/dbraw/zinc/99/02/50/370990250.db2.gz SRQGTZLVBIJCRD-GASCZTMLSA-N 2 1 269.392 2.172 20 0 CEADMP CCc1cccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000189781540 369568231 /nfs/dbraw/zinc/56/82/31/369568231.db2.gz MFZPROMWYXQICE-UHFFFAOYSA-N 2 1 289.467 2.318 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000351628420 369645869 /nfs/dbraw/zinc/64/58/69/369645869.db2.gz MCGRFULXUOMBMJ-VNQPRFMTSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351628420 369645873 /nfs/dbraw/zinc/64/58/73/369645873.db2.gz MCGRFULXUOMBMJ-VNQPRFMTSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351628420 369645878 /nfs/dbraw/zinc/64/58/78/369645878.db2.gz MCGRFULXUOMBMJ-VNQPRFMTSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351628420 369645883 /nfs/dbraw/zinc/64/58/83/369645883.db2.gz MCGRFULXUOMBMJ-VNQPRFMTSA-N 2 1 268.445 2.342 20 0 CEADMP CC[C@@H]1CCCC[C@H]1[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351628420 369645886 /nfs/dbraw/zinc/64/58/86/369645886.db2.gz MCGRFULXUOMBMJ-VNQPRFMTSA-N 2 1 268.445 2.342 20 0 CEADMP CN(C[C@H](O)C[N@@H+](C)C1CC1)CC1(c2ccccc2)CC1 ZINC000351646722 369646826 /nfs/dbraw/zinc/64/68/26/369646826.db2.gz HQGSINJZVOKYDG-KRWDZBQOSA-N 2 1 288.435 2.105 20 0 CEADMP CN(C[C@@H](O)C[N@H+](C)CC1(c2ccccc2)CC1)C1CC1 ZINC000351646722 369646828 /nfs/dbraw/zinc/64/68/28/369646828.db2.gz HQGSINJZVOKYDG-KRWDZBQOSA-N 2 1 288.435 2.105 20 0 CEADMP CN(C[C@@H](O)C[N@@H+](C)CC1(c2ccccc2)CC1)C1CC1 ZINC000351646722 369646832 /nfs/dbraw/zinc/64/68/32/369646832.db2.gz HQGSINJZVOKYDG-KRWDZBQOSA-N 2 1 288.435 2.105 20 0 CEADMP CN(C)C(=O)c1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000352511870 369767691 /nfs/dbraw/zinc/76/76/91/369767691.db2.gz TZSZFSQYVDSWJN-MRXNPFEDSA-N 2 1 289.423 2.092 20 0 CEADMP CN(CC1CCCCC1)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352520221 369771539 /nfs/dbraw/zinc/77/15/39/369771539.db2.gz WNYFWDZDOOMIKO-MRXNPFEDSA-N 2 1 295.471 2.228 20 0 CEADMP CN(CC1CCCCC1)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352520221 369771550 /nfs/dbraw/zinc/77/15/50/369771550.db2.gz WNYFWDZDOOMIKO-MRXNPFEDSA-N 2 1 295.471 2.228 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2CCO[C@H](C)C2)C1 ZINC000352607973 369804556 /nfs/dbraw/zinc/80/45/56/369804556.db2.gz CEYZFZAKQYAILP-IXDOHACOSA-N 2 1 298.471 2.234 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc([S@](C)=O)cc1 ZINC000276627429 193406210 /nfs/dbraw/zinc/40/62/10/193406210.db2.gz IVEJVIRRRBFYFV-YUNKPMOVSA-N 2 1 291.420 2.051 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000352535077 369776111 /nfs/dbraw/zinc/77/61/11/369776111.db2.gz MEYJEDFMZXCQBC-QGZVFWFLSA-N 2 1 289.423 2.283 20 0 CEADMP COc1cc(C)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000352535077 369776113 /nfs/dbraw/zinc/77/61/13/369776113.db2.gz MEYJEDFMZXCQBC-QGZVFWFLSA-N 2 1 289.423 2.283 20 0 CEADMP Cc1ccc(O)c(C[N@@H+](CCC[NH3+])CC2CCCC2)n1 ZINC000352535817 369776141 /nfs/dbraw/zinc/77/61/41/369776141.db2.gz VWBQZASNCKSKKF-UHFFFAOYSA-N 2 1 277.412 2.437 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)s1 ZINC000352755590 369868237 /nfs/dbraw/zinc/86/82/37/369868237.db2.gz MPOLYYFWMHJFCU-MGPQQGTHSA-N 2 1 295.452 2.252 20 0 CEADMP CC[N@H+](CCNCc1ncc(C[NH+](C)C)s1)C(C)C ZINC000352782503 369876732 /nfs/dbraw/zinc/87/67/32/369876732.db2.gz VOPJMGSTHAHLKN-UHFFFAOYSA-N 2 1 284.473 2.025 20 0 CEADMP CC[N@@H+](CCNCc1ncc(C[NH+](C)C)s1)C(C)C ZINC000352782503 369876737 /nfs/dbraw/zinc/87/67/37/369876737.db2.gz VOPJMGSTHAHLKN-UHFFFAOYSA-N 2 1 284.473 2.025 20 0 CEADMP CC(C)CC[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352926562 369951122 /nfs/dbraw/zinc/95/11/22/369951122.db2.gz WCRAPDUIHMMBDZ-QXULXFAOSA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)CC[C@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352926562 369951127 /nfs/dbraw/zinc/95/11/27/369951127.db2.gz WCRAPDUIHMMBDZ-QXULXFAOSA-N 2 1 268.445 2.341 20 0 CEADMP CC(C)CC[C@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352926562 369951133 /nfs/dbraw/zinc/95/11/33/369951133.db2.gz WCRAPDUIHMMBDZ-QXULXFAOSA-N 2 1 268.445 2.341 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)NCc1ncc(C[NH+](C)C)s1 ZINC000353072975 370008665 /nfs/dbraw/zinc/00/86/65/370008665.db2.gz NEUUMEFHNJYFLW-CYBMUJFWSA-N 2 1 298.500 2.415 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NCc1ncc(C[NH+](C)C)s1 ZINC000353072975 370008669 /nfs/dbraw/zinc/00/86/69/370008669.db2.gz NEUUMEFHNJYFLW-CYBMUJFWSA-N 2 1 298.500 2.415 20 0 CEADMP C=Cn1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cn1 ZINC000194415683 370037371 /nfs/dbraw/zinc/03/73/71/370037371.db2.gz CBEORUJBYMOHHJ-CQSZACIVSA-N 2 1 262.401 2.338 20 0 CEADMP FC(F)OC[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000353021767 369986699 /nfs/dbraw/zinc/98/66/99/369986699.db2.gz CNNICEVPLXQFMG-CYBMUJFWSA-N 2 1 276.371 2.424 20 0 CEADMP FC(F)OC[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000353021767 369986701 /nfs/dbraw/zinc/98/67/01/369986701.db2.gz CNNICEVPLXQFMG-CYBMUJFWSA-N 2 1 276.371 2.424 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1(C)C ZINC000353181222 370057639 /nfs/dbraw/zinc/05/76/39/370057639.db2.gz MGDYXSZSDUGHBM-UONOGXRCSA-N 2 1 263.385 2.051 20 0 CEADMP C[NH2+]Cc1cccc(NC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC000637809538 370081125 /nfs/dbraw/zinc/08/11/25/370081125.db2.gz SZWXMQCUGKELRL-UHFFFAOYSA-N 2 1 277.412 2.322 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000353995595 370170161 /nfs/dbraw/zinc/17/01/61/370170161.db2.gz KCWNMRHMBQHFAS-NRXISQOPSA-N 2 1 282.428 2.182 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000353995595 370170169 /nfs/dbraw/zinc/17/01/69/370170169.db2.gz KCWNMRHMBQHFAS-NRXISQOPSA-N 2 1 282.428 2.182 20 0 CEADMP C[N@H+](Cc1ccc2nccnc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000637928990 370176705 /nfs/dbraw/zinc/17/67/05/370176705.db2.gz GQNFCRNHXRTXFA-OAHLLOKOSA-N 2 1 284.407 2.403 20 0 CEADMP C[NH+](Cc1ccc2nccnc2c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000637928990 370176713 /nfs/dbraw/zinc/17/67/13/370176713.db2.gz GQNFCRNHXRTXFA-OAHLLOKOSA-N 2 1 284.407 2.403 20 0 CEADMP C[NH+](Cc1ccc2nccnc2c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637928990 370176720 /nfs/dbraw/zinc/17/67/20/370176720.db2.gz GQNFCRNHXRTXFA-OAHLLOKOSA-N 2 1 284.407 2.403 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnccc1C ZINC000353946363 370148185 /nfs/dbraw/zinc/14/81/85/370148185.db2.gz VEVUFROUQDVBBS-GFCCVEGCSA-N 2 1 258.369 2.321 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1(C(=O)OC)CCC1 ZINC000354085189 370209897 /nfs/dbraw/zinc/20/98/97/370209897.db2.gz HAUNSEFBGHXASS-MCIONIFRSA-N 2 1 282.428 2.181 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1(C(=O)OC)CCC1 ZINC000354085189 370209901 /nfs/dbraw/zinc/20/99/01/370209901.db2.gz HAUNSEFBGHXASS-MCIONIFRSA-N 2 1 282.428 2.181 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000354108643 370218774 /nfs/dbraw/zinc/21/87/74/370218774.db2.gz WLLNMMWLXIYLFB-KRWDZBQOSA-N 2 1 292.423 2.325 20 0 CEADMP CC[C@@H](C)[C@@H](C[N@@H+](C)CC1CC[NH+](C)CC1)OC ZINC000638030194 370255923 /nfs/dbraw/zinc/25/59/23/370255923.db2.gz ZXZBVMNQKFRSTK-UKRRQHHQSA-N 2 1 256.434 2.321 20 0 CEADMP Cc1cc(C[NH3+])oc1C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000638070548 370279514 /nfs/dbraw/zinc/27/95/14/370279514.db2.gz ZDANIFMGDGCXMM-STQMWFEESA-N 2 1 293.411 2.039 20 0 CEADMP CC(C)CC[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000638076469 370282924 /nfs/dbraw/zinc/28/29/24/370282924.db2.gz QBXCWCDWHWFLLP-INIZCTEOSA-N 2 1 297.487 2.329 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638076393 370283089 /nfs/dbraw/zinc/28/30/89/370283089.db2.gz JVLCYRUJNTWNOH-IAGOWNOFSA-N 2 1 287.451 2.396 20 0 CEADMP CC[NH2+][C@H](C)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000638086893 370289210 /nfs/dbraw/zinc/28/92/10/370289210.db2.gz WYNAPYNJUMLCHD-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@H]2CCO2)C[C@@H]1C ZINC000638108714 370305746 /nfs/dbraw/zinc/30/57/46/370305746.db2.gz AHUQENZQDGYLRV-KKUMJFAQSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC[C@H]2CCO2)C[C@@H]1C ZINC000638108714 370305752 /nfs/dbraw/zinc/30/57/52/370305752.db2.gz AHUQENZQDGYLRV-KKUMJFAQSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC[C@H]2CCO2)C[C@@H]1C ZINC000638108714 370305759 /nfs/dbraw/zinc/30/57/59/370305759.db2.gz AHUQENZQDGYLRV-KKUMJFAQSA-N 2 1 254.418 2.360 20 0 CEADMP CC[NH2+][C@@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000638111619 370306817 /nfs/dbraw/zinc/30/68/17/370306817.db2.gz OJFCFUAGRYAXPI-KBPBESRZSA-N 2 1 283.460 2.001 20 0 CEADMP CCC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C)OC ZINC000638113537 370311312 /nfs/dbraw/zinc/31/13/12/370311312.db2.gz PATWLNJSXXUAHN-RRFJBIMHSA-N 2 1 256.434 2.464 20 0 CEADMP CCC[C@H](C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)OC ZINC000638113537 370311317 /nfs/dbraw/zinc/31/13/17/370311317.db2.gz PATWLNJSXXUAHN-RRFJBIMHSA-N 2 1 256.434 2.464 20 0 CEADMP CCC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)OC ZINC000638113537 370311322 /nfs/dbraw/zinc/31/13/22/370311322.db2.gz PATWLNJSXXUAHN-RRFJBIMHSA-N 2 1 256.434 2.464 20 0 CEADMP O=c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c[nH]1 ZINC000638178806 370360289 /nfs/dbraw/zinc/36/02/89/370360289.db2.gz GXPPZXRGDBLDMK-ZBFHGGJFSA-N 2 1 287.407 2.236 20 0 CEADMP O=c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c[nH]1 ZINC000638178806 370360290 /nfs/dbraw/zinc/36/02/90/370360290.db2.gz GXPPZXRGDBLDMK-ZBFHGGJFSA-N 2 1 287.407 2.236 20 0 CEADMP O=c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c[nH]1 ZINC000638178806 370360291 /nfs/dbraw/zinc/36/02/91/370360291.db2.gz GXPPZXRGDBLDMK-ZBFHGGJFSA-N 2 1 287.407 2.236 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000227120603 370360906 /nfs/dbraw/zinc/36/09/06/370360906.db2.gz MKYQNCLHJZXPTQ-KKUMJFAQSA-N 2 1 277.412 2.134 20 0 CEADMP Cc1ccccc1OCC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000226435265 370342946 /nfs/dbraw/zinc/34/29/46/370342946.db2.gz QNLOBDZPPQQTMH-HNNXBMFYSA-N 2 1 262.397 2.305 20 0 CEADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2c1 ZINC000228724727 370412917 /nfs/dbraw/zinc/41/29/17/370412917.db2.gz ILWPXYIUOXFWJD-KRWDZBQOSA-N 2 1 272.392 2.242 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccn(C(F)F)c1=O ZINC000638338634 370454071 /nfs/dbraw/zinc/45/40/71/370454071.db2.gz ZRRZZBREHYGCEC-UHFFFAOYSA-N 2 1 287.354 2.063 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccn(C(F)F)c1=O ZINC000638338634 370454078 /nfs/dbraw/zinc/45/40/78/370454078.db2.gz ZRRZZBREHYGCEC-UHFFFAOYSA-N 2 1 287.354 2.063 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)OC ZINC000638358575 370467955 /nfs/dbraw/zinc/46/79/55/370467955.db2.gz FUVUSGYPYHXTAO-GZBFAFLISA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H](C[NH2+]CCC[C@H]1CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638362712 370470550 /nfs/dbraw/zinc/47/05/50/370470550.db2.gz CSJDKOWFENHAFZ-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](C[NH2+]CCC[C@H]1CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000638362712 370470552 /nfs/dbraw/zinc/47/05/52/370470552.db2.gz CSJDKOWFENHAFZ-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cc(C[NH3+])cc(NC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC000638364992 370475530 /nfs/dbraw/zinc/47/55/30/370475530.db2.gz UWRWOZFOVRUDQI-UHFFFAOYSA-N 2 1 277.412 2.370 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000355122580 370512008 /nfs/dbraw/zinc/51/20/08/370512008.db2.gz MONXMZRVUKJOSV-ULQDDVLXSA-N 2 1 298.471 2.282 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000355122580 370512014 /nfs/dbraw/zinc/51/20/14/370512014.db2.gz MONXMZRVUKJOSV-ULQDDVLXSA-N 2 1 298.471 2.282 20 0 CEADMP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000638415630 370514855 /nfs/dbraw/zinc/51/48/55/370514855.db2.gz OLFXZELCRWNGSS-HOCLYGCPSA-N 2 1 295.471 2.273 20 0 CEADMP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000638415627 370515215 /nfs/dbraw/zinc/51/52/15/370515215.db2.gz OLFXZELCRWNGSS-GDBMZVCRSA-N 2 1 295.471 2.273 20 0 CEADMP CCn1ncnc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638371610 370481086 /nfs/dbraw/zinc/48/10/86/370481086.db2.gz SJOYIQRNQILJSZ-GASCZTMLSA-N 2 1 293.459 2.146 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638381318 370486648 /nfs/dbraw/zinc/48/66/48/370486648.db2.gz JYANBNFMUQJVOK-DLBZAZTESA-N 2 1 287.451 2.444 20 0 CEADMP C[C@H](C[NH2+]Cc1cccn(C(F)F)c1=O)C[NH+]1CCCC1 ZINC000638386265 370490398 /nfs/dbraw/zinc/49/03/98/370490398.db2.gz LZFWTOLXUCNAIO-GFCCVEGCSA-N 2 1 299.365 2.065 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]CCCn1cc[nH+]c1C)OC ZINC000638386492 370491099 /nfs/dbraw/zinc/49/10/99/370491099.db2.gz NLPAQXUUTBSVPG-GXTWGEPZSA-N 2 1 253.390 2.232 20 0 CEADMP CCS[C@@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000233986332 370527118 /nfs/dbraw/zinc/52/71/18/370527118.db2.gz YFFJZZZPGMWBBD-QWHCGFSZSA-N 2 1 253.415 2.455 20 0 CEADMP C[N@H+](CC[NH2+]CCC[C@H]1CCO1)C1CCCCC1 ZINC000638437533 370530103 /nfs/dbraw/zinc/53/01/03/370530103.db2.gz NECFYDCWEIYARW-HNNXBMFYSA-N 2 1 254.418 2.410 20 0 CEADMP C[N@@H+](CC[NH2+]CCC[C@H]1CCO1)C1CCCCC1 ZINC000638437533 370530108 /nfs/dbraw/zinc/53/01/08/370530108.db2.gz NECFYDCWEIYARW-HNNXBMFYSA-N 2 1 254.418 2.410 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]CCOCC(F)F)c2ccccc21 ZINC000236318850 370587192 /nfs/dbraw/zinc/58/71/92/370587192.db2.gz BIJHSAKHWDAYPS-RYUDHWBXSA-N 2 1 256.296 2.003 20 0 CEADMP CO[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000638588027 370622459 /nfs/dbraw/zinc/62/24/59/370622459.db2.gz JJCGQWKQPBGZLQ-IAGOWNOFSA-N 2 1 276.424 2.176 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)[C@@H](C)C1 ZINC000358291024 370996334 /nfs/dbraw/zinc/99/63/34/370996334.db2.gz FQVQFHFKMMZPNM-KKUMJFAQSA-N 2 1 266.429 2.408 20 0 CEADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)sn1 ZINC000638566297 370607742 /nfs/dbraw/zinc/60/77/42/370607742.db2.gz GVYLSRYGVXVCKQ-LBPRGKRZSA-N 2 1 283.441 2.362 20 0 CEADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)sn1 ZINC000638566297 370607747 /nfs/dbraw/zinc/60/77/47/370607747.db2.gz GVYLSRYGVXVCKQ-LBPRGKRZSA-N 2 1 283.441 2.362 20 0 CEADMP Cc1nnsc1CNC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000638566899 370608477 /nfs/dbraw/zinc/60/84/77/370608477.db2.gz QXFSVSHOHDZBNU-GFCCVEGCSA-N 2 1 268.430 2.057 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccccc2)[C@H](C)C1 ZINC000247030236 371051240 /nfs/dbraw/zinc/05/12/40/371051240.db2.gz MTXDBWJFMDQPON-NJAFHUGGSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cc2ccccc2)[C@H](C)C1 ZINC000247030236 371051249 /nfs/dbraw/zinc/05/12/49/371051249.db2.gz MTXDBWJFMDQPON-NJAFHUGGSA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2)[C@H](C)C1 ZINC000247030236 371051255 /nfs/dbraw/zinc/05/12/55/371051255.db2.gz MTXDBWJFMDQPON-NJAFHUGGSA-N 2 1 290.451 2.252 20 0 CEADMP Cn1ccnc1[C@H]1CC[N@@H+](CC2CCSCC2)C1 ZINC000639177620 371055456 /nfs/dbraw/zinc/05/54/56/371055456.db2.gz WIXVKVANLWLNHR-ZDUSSCGKSA-N 2 1 265.426 2.353 20 0 CEADMP CCOC1CC(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000639178180 371058417 /nfs/dbraw/zinc/05/84/17/371058417.db2.gz ZYDKEKVSQYENSD-ARWYELJZSA-N 2 1 280.456 2.465 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000247066346 371058628 /nfs/dbraw/zinc/05/86/28/371058628.db2.gz PXZZFUXQJQUPAH-GOEBONIOSA-N 3 1 267.461 2.181 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000247066346 371058630 /nfs/dbraw/zinc/05/86/30/371058630.db2.gz PXZZFUXQJQUPAH-GOEBONIOSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccns2)C1 ZINC000639179474 371059449 /nfs/dbraw/zinc/05/94/49/371059449.db2.gz SYZBBCGTFOEPGW-DGCLKSJQSA-N 2 1 251.399 2.059 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccns2)C1 ZINC000639179474 371059451 /nfs/dbraw/zinc/05/94/51/371059451.db2.gz SYZBBCGTFOEPGW-DGCLKSJQSA-N 2 1 251.399 2.059 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccns2)C1 ZINC000639179474 371059453 /nfs/dbraw/zinc/05/94/53/371059453.db2.gz SYZBBCGTFOEPGW-DGCLKSJQSA-N 2 1 251.399 2.059 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccns2)C1 ZINC000639179474 371059456 /nfs/dbraw/zinc/05/94/56/371059456.db2.gz SYZBBCGTFOEPGW-DGCLKSJQSA-N 2 1 251.399 2.059 20 0 CEADMP CC[C@H]1C[NH+](CCCCC[N@H+]2CCO[C@@H](CC)C2)CCO1 ZINC000247102329 371064684 /nfs/dbraw/zinc/06/46/84/371064684.db2.gz VDTHDEMOHZTDNP-IRXDYDNUSA-N 2 1 298.471 2.378 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4nccnc4c3)C2)C1 ZINC000639203471 371091164 /nfs/dbraw/zinc/09/11/64/371091164.db2.gz JHOPWVLYRYTYKJ-QGZVFWFLSA-N 2 1 282.391 2.157 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4nccnc4c3)C2)C1 ZINC000639203471 371091168 /nfs/dbraw/zinc/09/11/68/371091168.db2.gz JHOPWVLYRYTYKJ-QGZVFWFLSA-N 2 1 282.391 2.157 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4nccnc4c3)C2)C1 ZINC000639203471 371091173 /nfs/dbraw/zinc/09/11/73/371091173.db2.gz JHOPWVLYRYTYKJ-QGZVFWFLSA-N 2 1 282.391 2.157 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4nccnc4c3)C2)C1 ZINC000639203471 371091178 /nfs/dbraw/zinc/09/11/78/371091178.db2.gz JHOPWVLYRYTYKJ-QGZVFWFLSA-N 2 1 282.391 2.157 20 0 CEADMP CC[C@@](C)(C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)OC ZINC000639207641 371096293 /nfs/dbraw/zinc/09/62/93/371096293.db2.gz JGFWYTPRIHCRAA-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[C@@](C)(C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)OC ZINC000639207641 371096297 /nfs/dbraw/zinc/09/62/97/371096297.db2.gz JGFWYTPRIHCRAA-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[C@@](C)(C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)OC ZINC000639207641 371096302 /nfs/dbraw/zinc/09/63/02/371096302.db2.gz JGFWYTPRIHCRAA-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CC[C@](C)(C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)OC ZINC000639176749 371053050 /nfs/dbraw/zinc/05/30/50/371053050.db2.gz JVWUZAXSGHJMGW-JKSUJKDBSA-N 2 1 268.445 2.465 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000639258099 371157801 /nfs/dbraw/zinc/15/78/01/371157801.db2.gz ZNRAEBWFATUDCG-GFCCVEGCSA-N 2 1 299.365 2.065 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3ccncc3)CC[C@H]21 ZINC000248164688 371167421 /nfs/dbraw/zinc/16/74/21/371167421.db2.gz SSOOVOQUKNPIAX-HZPDHXFCSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3ccncc3)CC[C@H]21 ZINC000248164688 371167422 /nfs/dbraw/zinc/16/74/22/371167422.db2.gz SSOOVOQUKNPIAX-HZPDHXFCSA-N 2 1 259.397 2.040 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccncc3)CC[C@H]21 ZINC000248164688 371167423 /nfs/dbraw/zinc/16/74/23/371167423.db2.gz SSOOVOQUKNPIAX-HZPDHXFCSA-N 2 1 259.397 2.040 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)[C@@H](C)C1 ZINC000248422910 371193121 /nfs/dbraw/zinc/19/31/21/371193121.db2.gz YUQYOKBYXZPATL-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C)C)CC1)CC(C)C ZINC000358748024 371202605 /nfs/dbraw/zinc/20/26/05/371202605.db2.gz VKRUYPLFXPEJDV-UHFFFAOYSA-N 2 1 297.487 2.155 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248570852 371215233 /nfs/dbraw/zinc/21/52/33/371215233.db2.gz QWDPVOHGFIYMGH-IKGGRYGDSA-N 2 1 279.472 2.467 20 0 CEADMP OC/C=C/C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639309199 371215981 /nfs/dbraw/zinc/21/59/81/371215981.db2.gz QKMZVYPDITXQIK-RPCWLKAMSA-N 2 1 286.419 2.493 20 0 CEADMP OC/C=C/C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639309199 371215986 /nfs/dbraw/zinc/21/59/86/371215986.db2.gz QKMZVYPDITXQIK-RPCWLKAMSA-N 2 1 286.419 2.493 20 0 CEADMP C(CO[C@@H]1CCCCO1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000358833676 371240679 /nfs/dbraw/zinc/24/06/79/371240679.db2.gz RTMDHGQEGMRYLK-IAGOWNOFSA-N 2 1 296.455 2.337 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000248878421 371261394 /nfs/dbraw/zinc/26/13/94/371261394.db2.gz KBEZUWIAHWNYGC-MGNMYUMUSA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248878421 371261398 /nfs/dbraw/zinc/26/13/98/371261398.db2.gz KBEZUWIAHWNYGC-MGNMYUMUSA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248878421 371261404 /nfs/dbraw/zinc/26/14/04/371261404.db2.gz KBEZUWIAHWNYGC-MGNMYUMUSA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000248878421 371261406 /nfs/dbraw/zinc/26/14/06/371261406.db2.gz KBEZUWIAHWNYGC-MGNMYUMUSA-N 3 1 279.472 2.322 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000248878421 371261411 /nfs/dbraw/zinc/26/14/11/371261411.db2.gz KBEZUWIAHWNYGC-MGNMYUMUSA-N 3 1 279.472 2.322 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248878421 371261415 /nfs/dbraw/zinc/26/14/15/371261415.db2.gz KBEZUWIAHWNYGC-MGNMYUMUSA-N 3 1 279.472 2.322 20 0 CEADMP CC(C)[NH+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000248878421 371261418 /nfs/dbraw/zinc/26/14/18/371261418.db2.gz KBEZUWIAHWNYGC-MGNMYUMUSA-N 3 1 279.472 2.322 20 0 CEADMP c1cnn(C2CC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)C2)c1 ZINC000639339170 371249975 /nfs/dbraw/zinc/24/99/75/371249975.db2.gz ZLEUXHYZRSASNM-GTPINHCMSA-N 2 1 288.439 2.298 20 0 CEADMP CO[C@]1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000249031914 371285264 /nfs/dbraw/zinc/28/52/64/371285264.db2.gz RJPFULMSWUPXFU-SLAHUXJDSA-N 2 1 266.429 2.405 20 0 CEADMP C[C@@H]1C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000639502746 371367070 /nfs/dbraw/zinc/36/70/70/371367070.db2.gz HVEAZQGSEUGAQM-JFIYKMOQSA-N 2 1 288.435 2.211 20 0 CEADMP C[C@@H]1C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000639502746 371367072 /nfs/dbraw/zinc/36/70/72/371367072.db2.gz HVEAZQGSEUGAQM-JFIYKMOQSA-N 2 1 288.435 2.211 20 0 CEADMP C[NH+](C)CCC1CC[NH+](Cc2nc(CC3CC3)no2)CC1 ZINC000639458432 371337517 /nfs/dbraw/zinc/33/75/17/371337517.db2.gz NEAGKFNDULRSID-UHFFFAOYSA-N 2 1 292.427 2.186 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCO[C@@H]2C)CC1 ZINC000639474424 371347649 /nfs/dbraw/zinc/34/76/49/371347649.db2.gz UDHQWDQLEYAUIA-GDBMZVCRSA-N 2 1 268.445 2.464 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000250636138 371387707 /nfs/dbraw/zinc/38/77/07/371387707.db2.gz SBQRCRAZNLQMAW-GVDBMIGSSA-N 2 1 280.456 2.488 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000250636138 371387710 /nfs/dbraw/zinc/38/77/10/371387710.db2.gz SBQRCRAZNLQMAW-GVDBMIGSSA-N 2 1 280.456 2.488 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000250636138 371387714 /nfs/dbraw/zinc/38/77/14/371387714.db2.gz SBQRCRAZNLQMAW-GVDBMIGSSA-N 2 1 280.456 2.488 20 0 CEADMP [NH3+]CCC[N@@H+](CCOCC1CC1)Cc1ccccc1 ZINC000359306319 371419858 /nfs/dbraw/zinc/41/98/58/371419858.db2.gz LUURUWNFILETIS-UHFFFAOYSA-N 2 1 262.397 2.264 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000250649288 371388875 /nfs/dbraw/zinc/38/88/75/371388875.db2.gz OOJFUHFNAZWNGH-OKZBNKHCSA-N 2 1 287.451 2.368 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000250649288 371388880 /nfs/dbraw/zinc/38/88/80/371388880.db2.gz OOJFUHFNAZWNGH-OKZBNKHCSA-N 2 1 287.451 2.368 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000251684723 371412847 /nfs/dbraw/zinc/41/28/47/371412847.db2.gz HZMYCFSWKQCZEM-BXUZGUMPSA-N 2 1 268.788 2.388 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000639505000 371369803 /nfs/dbraw/zinc/36/98/03/371369803.db2.gz PGARCVCTLANILD-QLFBSQMISA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C[C@@H]1CCO[C@H]1C)CC2 ZINC000639508821 371370963 /nfs/dbraw/zinc/37/09/63/371370963.db2.gz OOCZGIRFBDSALT-JONQDZQNSA-N 2 1 266.429 2.359 20 0 CEADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000250007310 371374358 /nfs/dbraw/zinc/37/43/58/371374358.db2.gz UFAKDVXLZDMKDX-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC2CC[NH2+]CC2)C1 ZINC000359206189 371375579 /nfs/dbraw/zinc/37/55/79/371375579.db2.gz HDZKSJFJJRJXEW-MRXNPFEDSA-N 3 1 267.461 2.040 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359206189 371375585 /nfs/dbraw/zinc/37/55/85/371375585.db2.gz HDZKSJFJJRJXEW-MRXNPFEDSA-N 3 1 267.461 2.040 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359206189 371375589 /nfs/dbraw/zinc/37/55/89/371375589.db2.gz HDZKSJFJJRJXEW-MRXNPFEDSA-N 3 1 267.461 2.040 20 0 CEADMP CC(C)C[C@@H]1COCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359212744 371378831 /nfs/dbraw/zinc/37/88/31/371378831.db2.gz FOBLQIMQEFCVCY-OAHLLOKOSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000250313137 371382335 /nfs/dbraw/zinc/38/23/35/371382335.db2.gz MCTNZOVHGFCALI-OWCLPIDISA-N 2 1 267.461 2.371 20 0 CEADMP Cc1cccc(OCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252877033 371486514 /nfs/dbraw/zinc/48/65/14/371486514.db2.gz WMRQDPHCDSHZOP-BHYGNILZSA-N 2 1 274.408 2.433 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000359885376 371492271 /nfs/dbraw/zinc/49/22/71/371492271.db2.gz KAUDABQJAMULOT-JKSUJKDBSA-N 2 1 298.471 2.377 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCn2cccn2)C1 ZINC000252441565 371438042 /nfs/dbraw/zinc/43/80/42/371438042.db2.gz NKJHXPVHJJJZHQ-SJORKVTESA-N 2 1 290.455 2.470 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCn2cccn2)C1 ZINC000252441565 371438045 /nfs/dbraw/zinc/43/80/45/371438045.db2.gz NKJHXPVHJJJZHQ-SJORKVTESA-N 2 1 290.455 2.470 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000252441565 371438047 /nfs/dbraw/zinc/43/80/47/371438047.db2.gz NKJHXPVHJJJZHQ-SJORKVTESA-N 2 1 290.455 2.470 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000252441565 371438048 /nfs/dbraw/zinc/43/80/48/371438048.db2.gz NKJHXPVHJJJZHQ-SJORKVTESA-N 2 1 290.455 2.470 20 0 CEADMP CSc1ccc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252667550 371464189 /nfs/dbraw/zinc/46/41/89/371464189.db2.gz LFSRDAOPVGDFIU-LSDHHAIUSA-N 2 1 292.448 2.361 20 0 CEADMP CSc1ccc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000252667550 371464197 /nfs/dbraw/zinc/46/41/97/371464197.db2.gz LFSRDAOPVGDFIU-LSDHHAIUSA-N 2 1 292.448 2.361 20 0 CEADMP C[C@@H]1C[C@H](NCCC[NH+]2CCCC[C@H]2C)C[N@H+]1C1CC1 ZINC000252713367 371472203 /nfs/dbraw/zinc/47/22/03/371472203.db2.gz OZJWDVAWEWQSPC-OAGGEKHMSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@H](NCCC[N@@H+]2CCCC[C@H]2C)C[NH+]1C1CC1 ZINC000252713367 371472205 /nfs/dbraw/zinc/47/22/05/371472205.db2.gz OZJWDVAWEWQSPC-OAGGEKHMSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@H](NCCC[N@H+]2CCCC[C@H]2C)C[NH+]1C1CC1 ZINC000252713367 371472207 /nfs/dbraw/zinc/47/22/07/371472207.db2.gz OZJWDVAWEWQSPC-OAGGEKHMSA-N 2 1 279.472 2.466 20 0 CEADMP CC(C)(C)OCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682984 371491993 /nfs/dbraw/zinc/49/19/93/371491993.db2.gz OSYMTQNFVGZUNX-UHFFFAOYSA-N 2 1 277.412 2.409 20 0 CEADMP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)([NH+](C)C)C1 ZINC000360239148 371509300 /nfs/dbraw/zinc/50/93/00/371509300.db2.gz ATKGFTDXIMCIKK-VQHPVUNQSA-N 2 1 281.488 2.427 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](C[C@H]3CC(C)(C)CO3)C2)CC1 ZINC000639754781 371544862 /nfs/dbraw/zinc/54/48/62/371544862.db2.gz AMWNLTRFOSHPKX-CQSZACIVSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@@H](CC(C)C)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756258 371547239 /nfs/dbraw/zinc/54/72/39/371547239.db2.gz TUVZACLOZVVWJO-HNNXBMFYSA-N 2 1 268.445 2.465 20 0 CEADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759618 371548861 /nfs/dbraw/zinc/54/88/61/371548861.db2.gz DXJNQXQVVLTNJE-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000344028215 217016428 /nfs/dbraw/zinc/01/64/28/217016428.db2.gz MMDRMQLWMROQHS-UHFFFAOYSA-N 2 1 277.456 2.310 20 0 CEADMP CCOC(=O)CCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360972499 371572866 /nfs/dbraw/zinc/57/28/66/371572866.db2.gz NGDGGCDXPMHILO-BZUAXINKSA-N 2 1 294.439 2.136 20 0 CEADMP CCOC(=O)CCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360972499 371572874 /nfs/dbraw/zinc/57/28/74/371572874.db2.gz NGDGGCDXPMHILO-BZUAXINKSA-N 2 1 294.439 2.136 20 0 CEADMP CCOC(=O)CCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360972499 371572877 /nfs/dbraw/zinc/57/28/77/371572877.db2.gz NGDGGCDXPMHILO-BZUAXINKSA-N 2 1 294.439 2.136 20 0 CEADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000360976842 371577111 /nfs/dbraw/zinc/57/71/11/371577111.db2.gz WRIUEJFFANIPOD-BRWVUGGUSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000360976842 371577119 /nfs/dbraw/zinc/57/71/19/371577119.db2.gz WRIUEJFFANIPOD-BRWVUGGUSA-N 2 1 289.423 2.074 20 0 CEADMP COc1cccc([C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261593698 371668800 /nfs/dbraw/zinc/66/88/00/371668800.db2.gz NBXIIFPMZLTQPN-QEJZJMRPSA-N 2 1 260.381 2.298 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc2c1CCC2 ZINC000261603682 371672299 /nfs/dbraw/zinc/67/22/99/371672299.db2.gz QWPJTADXMUDCHF-SJORKVTESA-N 2 1 256.393 2.217 20 0 CEADMP C[C@H](N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539120 371639886 /nfs/dbraw/zinc/63/98/86/371639886.db2.gz BPYNFRVXFBANBL-CGTJXYLNSA-N 2 1 287.451 2.239 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000261545744 371642003 /nfs/dbraw/zinc/64/20/03/371642003.db2.gz KHQRDQJOLGKLLW-RDGPPVDQSA-N 2 1 299.462 2.239 20 0 CEADMP C[NH2+]C1CC[NH+](CCSc2ccccc2)CC1 ZINC000261548854 371643202 /nfs/dbraw/zinc/64/32/02/371643202.db2.gz JWMPAYOCAHYJOM-UHFFFAOYSA-N 2 1 250.411 2.463 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000261564538 371650010 /nfs/dbraw/zinc/65/00/10/371650010.db2.gz CXHJXZZGJYNGFC-UHFFFAOYSA-N 2 1 276.302 2.113 20 0 CEADMP Clc1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261577552 371659450 /nfs/dbraw/zinc/65/94/50/371659450.db2.gz CVNIVWOCOJDEAP-SWLSCSKDSA-N 2 1 280.799 2.403 20 0 CEADMP Clc1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261577552 371659454 /nfs/dbraw/zinc/65/94/54/371659454.db2.gz CVNIVWOCOJDEAP-SWLSCSKDSA-N 2 1 280.799 2.403 20 0 CEADMP c1c2ccccc2oc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261581184 371661490 /nfs/dbraw/zinc/66/14/90/371661490.db2.gz FWXMTTAOGNBQQS-ZIAGYGMSSA-N 2 1 256.349 2.474 20 0 CEADMP c1c2ccccc2oc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261581184 371661492 /nfs/dbraw/zinc/66/14/92/371661492.db2.gz FWXMTTAOGNBQQS-ZIAGYGMSSA-N 2 1 256.349 2.474 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000261809510 371739174 /nfs/dbraw/zinc/73/91/74/371739174.db2.gz HPLFGXSUZZWMDW-HNNXBMFYSA-N 2 1 284.407 2.433 20 0 CEADMP CCC[C@H](O)C[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639985645 371714444 /nfs/dbraw/zinc/71/44/44/371714444.db2.gz DIGBQXAWCSTOTO-HNNXBMFYSA-N 2 1 268.445 2.488 20 0 CEADMP COc1cc2c(c(C[N@@H+]3CC[C@](C)(C[NH3+])C3)c1)O[C@H](C)C2 ZINC000261743245 371716042 /nfs/dbraw/zinc/71/60/42/371716042.db2.gz KQCOIXQZVADQDC-SJKOYZFVSA-N 2 1 290.407 2.189 20 0 CEADMP COc1cc2c(c(C[N@H+]3CC[C@](C)(C[NH3+])C3)c1)O[C@H](C)C2 ZINC000261743245 371716048 /nfs/dbraw/zinc/71/60/48/371716048.db2.gz KQCOIXQZVADQDC-SJKOYZFVSA-N 2 1 290.407 2.189 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](CCc2cnn(C)c2)CC1 ZINC000639987665 371716264 /nfs/dbraw/zinc/71/62/64/371716264.db2.gz HOLWQOOYJLTQTF-UHFFFAOYSA-N 2 1 290.455 2.303 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000261743266 371718426 /nfs/dbraw/zinc/71/84/26/371718426.db2.gz KQEIAUASNTUOGG-MRXNPFEDSA-N 2 1 270.380 2.247 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1scnc1C1CC1 ZINC000261755725 371722505 /nfs/dbraw/zinc/72/25/05/371722505.db2.gz CNUHBDVSBJVQEZ-VHSXEESVSA-N 2 1 251.399 2.190 20 0 CEADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261762821 371724108 /nfs/dbraw/zinc/72/41/08/371724108.db2.gz NWAVGAYUFCOGPE-XJKSGUPXSA-N 2 1 293.842 2.381 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000361237686 371731189 /nfs/dbraw/zinc/73/11/89/371731189.db2.gz PYIIGMPASAVILU-KBPBESRZSA-N 2 1 265.401 2.373 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000361154638 371686035 /nfs/dbraw/zinc/68/60/35/371686035.db2.gz QHGVKBWGLUAXLF-CABCVRRESA-N 2 1 299.422 2.100 20 0 CEADMP CCOc1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261649917 371691936 /nfs/dbraw/zinc/69/19/36/371691936.db2.gz JOPWSELYKYKCKA-GJZGRUSLSA-N 2 1 290.407 2.005 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261649917 371691943 /nfs/dbraw/zinc/69/19/43/371691943.db2.gz JOPWSELYKYKCKA-GJZGRUSLSA-N 2 1 290.407 2.005 20 0 CEADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCC1CCCCC1 ZINC000261686154 371701157 /nfs/dbraw/zinc/70/11/57/371701157.db2.gz AQVFBBAQUMFBMW-MRXNPFEDSA-N 2 1 295.471 2.276 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@H](COc3ccccc3)C2)CC[NH2+]C1 ZINC000261695132 371703209 /nfs/dbraw/zinc/70/32/09/371703209.db2.gz BRZSUBLZPWONPB-DOTOQJQBSA-N 2 1 274.408 2.387 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)CCC(C)C ZINC000361304699 371769805 /nfs/dbraw/zinc/76/98/05/371769805.db2.gz KAYCZPOXDJZIDG-OAHLLOKOSA-N 2 1 267.417 2.311 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)CCC(C)C ZINC000361304699 371769815 /nfs/dbraw/zinc/76/98/15/371769815.db2.gz KAYCZPOXDJZIDG-OAHLLOKOSA-N 2 1 267.417 2.311 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261918536 371770893 /nfs/dbraw/zinc/77/08/93/371770893.db2.gz KEXMRXGWYOKLLE-IUODEOHRSA-N 2 1 299.422 2.053 20 0 CEADMP C[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH3+] ZINC000261925462 371773479 /nfs/dbraw/zinc/77/34/79/371773479.db2.gz CBKAFCSPQMYMTL-NVXWUHKLSA-N 2 1 289.467 2.424 20 0 CEADMP C[C@]1(C[N@H+]2CC[C@H](CC(F)(F)F)C2)CC[NH2+]C1 ZINC000261994292 371793052 /nfs/dbraw/zinc/79/30/52/371793052.db2.gz KOJKSMGEYFZPSV-MNOVXSKESA-N 2 1 250.308 2.260 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261950758 371782121 /nfs/dbraw/zinc/78/21/21/371782121.db2.gz NXCMRXQCXAIROB-LRDDRELGSA-N 2 1 262.397 2.427 20 0 CEADMP C[NH2+]CCC1CC[NH+](Cc2csc(COC)n2)CC1 ZINC000261979170 371788261 /nfs/dbraw/zinc/78/82/61/371788261.db2.gz HHABJOZUYXNWFC-UHFFFAOYSA-N 2 1 283.441 2.111 20 0 CEADMP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000337356900 214027625 /nfs/dbraw/zinc/02/76/25/214027625.db2.gz AWHXIDPAULAROD-KBMXLJTQSA-N 2 1 266.429 2.002 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000262011088 371799379 /nfs/dbraw/zinc/79/93/79/371799379.db2.gz VCXYSKJBKJKCEB-ZDUSSCGKSA-N 2 1 250.390 2.025 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000262035665 371806055 /nfs/dbraw/zinc/80/60/55/371806055.db2.gz XQCZZIGWTHTAHL-BLLLJJGKSA-N 2 1 299.422 2.053 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000262035665 371806066 /nfs/dbraw/zinc/80/60/66/371806066.db2.gz XQCZZIGWTHTAHL-BLLLJJGKSA-N 2 1 299.422 2.053 20 0 CEADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000262118843 371825906 /nfs/dbraw/zinc/82/59/06/371825906.db2.gz XCNJBGDVSYQFMF-BZUAXINKSA-N 2 1 295.471 2.132 20 0 CEADMP CC[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@]2(CCOC2)O1 ZINC000361509793 371886911 /nfs/dbraw/zinc/88/69/11/371886911.db2.gz XAMFMKIBXFHJBU-BBWFWOEESA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@]2(CCOC2)O1 ZINC000361509793 371886916 /nfs/dbraw/zinc/88/69/16/371886916.db2.gz XAMFMKIBXFHJBU-BBWFWOEESA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@]2(CCOC2)O1 ZINC000361509793 371886923 /nfs/dbraw/zinc/88/69/23/371886923.db2.gz XAMFMKIBXFHJBU-BBWFWOEESA-N 2 1 296.455 2.131 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@]2(CCOC2)O1 ZINC000361509793 371886928 /nfs/dbraw/zinc/88/69/28/371886928.db2.gz XAMFMKIBXFHJBU-BBWFWOEESA-N 2 1 296.455 2.131 20 0 CEADMP CO[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000361529443 371900680 /nfs/dbraw/zinc/90/06/80/371900680.db2.gz YBLGNIUNHDBXKE-KGLIPLIRSA-N 2 1 277.412 2.372 20 0 CEADMP Cc1ncc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000640532488 372021155 /nfs/dbraw/zinc/02/11/55/372021155.db2.gz FGUOKULVQXSDCD-UHFFFAOYSA-N 2 1 276.428 2.483 20 0 CEADMP CC[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[NH+](CC)CC ZINC000265450954 372021892 /nfs/dbraw/zinc/02/18/92/372021892.db2.gz TYIMRZLVZSJYIO-KBPBESRZSA-N 2 1 295.427 2.119 20 0 CEADMP C[NH+]1CCC[C@@H]2CN(CC[C@H]3CCCC[N@@H+]3C)CC[C@H]21 ZINC000361685073 372023893 /nfs/dbraw/zinc/02/38/93/372023893.db2.gz BZFLYNAOEPDRNU-BRWVUGGUSA-N 2 1 279.472 2.277 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000361685073 372023898 /nfs/dbraw/zinc/02/38/98/372023898.db2.gz BZFLYNAOEPDRNU-BRWVUGGUSA-N 2 1 279.472 2.277 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000361685073 372023904 /nfs/dbraw/zinc/02/39/04/372023904.db2.gz BZFLYNAOEPDRNU-BRWVUGGUSA-N 2 1 279.472 2.277 20 0 CEADMP Cc1nccnc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534072 372024226 /nfs/dbraw/zinc/02/42/26/372024226.db2.gz KQGKXPJEBNEYJH-UHFFFAOYSA-N 2 1 276.428 2.483 20 0 CEADMP Clc1c[nH+]ccc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000267302404 372067632 /nfs/dbraw/zinc/06/76/32/372067632.db2.gz VCUXPVFGWLLSMT-UHFFFAOYSA-N 2 1 295.814 2.284 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000361803650 372079744 /nfs/dbraw/zinc/07/97/44/372079744.db2.gz HWIVPNMRJZLRGD-QWHCGFSZSA-N 2 1 270.417 2.038 20 0 CEADMP Cc1cc[nH+]c(N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000268323209 372093007 /nfs/dbraw/zinc/09/30/07/372093007.db2.gz NOMNYRXMBRCHCB-UHFFFAOYSA-N 2 1 289.423 2.471 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000268791882 372223722 /nfs/dbraw/zinc/22/37/22/372223722.db2.gz GVCUDWGRPXQSJX-GFCCVEGCSA-N 2 1 271.364 2.477 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+]CCn1cc[nH+]c1C ZINC000268792960 372223853 /nfs/dbraw/zinc/22/38/53/372223853.db2.gz GYDXPMXCWSEHDC-INIZCTEOSA-N 2 1 273.380 2.039 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1C ZINC000268811041 372233843 /nfs/dbraw/zinc/23/38/43/372233843.db2.gz FBCFUZINZDAXRK-DOTOQJQBSA-N 2 1 276.424 2.411 20 0 CEADMP CCC[C@H]([NH3+])c1cn(CCCCn2cc[nH+]c2C)nn1 ZINC000641150607 372348036 /nfs/dbraw/zinc/34/80/36/372348036.db2.gz NIHJEFJKQOADET-ZDUSSCGKSA-N 2 1 276.388 2.063 20 0 CEADMP CC[C@@](C)([NH3+])c1cn(Cc2c(C)cc(C)[nH+]c2C)nn1 ZINC000641187449 372379395 /nfs/dbraw/zinc/37/93/95/372379395.db2.gz KVLAGSZQQMJOLC-OAHLLOKOSA-N 2 1 273.384 2.231 20 0 CEADMP Cc1nnc(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)o1 ZINC000362613681 372458479 /nfs/dbraw/zinc/45/84/79/372458479.db2.gz CXZCIVVAUABERE-CYBMUJFWSA-N 2 1 290.411 2.074 20 0 CEADMP Cc1nnc(C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)o1 ZINC000362613681 372458483 /nfs/dbraw/zinc/45/84/83/372458483.db2.gz CXZCIVVAUABERE-CYBMUJFWSA-N 2 1 290.411 2.074 20 0 CEADMP CC(C)OCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000363499356 372640007 /nfs/dbraw/zinc/64/00/07/372640007.db2.gz NVRIQYBMCPRYLX-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccncc1N ZINC000641708000 372643565 /nfs/dbraw/zinc/64/35/65/372643565.db2.gz UHCWQPJDKMVBIF-AWEZNQCLSA-N 2 1 276.428 2.408 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000573315664 299433833 /nfs/dbraw/zinc/43/38/33/299433833.db2.gz OQPCQHJGFHQAPV-NWDGAFQWSA-N 2 1 290.333 2.195 20 0 CEADMP CCN(C)C(=O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000364346938 372733586 /nfs/dbraw/zinc/73/35/86/372733586.db2.gz KPUIQAHXVIRAEL-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(C)o1 ZINC000353400154 220063334 /nfs/dbraw/zinc/06/33/34/220063334.db2.gz DNIRGSGJGPYBHJ-IMJJTQAJSA-N 2 1 277.412 2.296 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000270272148 372728431 /nfs/dbraw/zinc/72/84/31/372728431.db2.gz LJKDGSZHQDQRRF-WMLDXEAASA-N 2 1 289.423 2.315 20 0 CEADMP COc1cc(C)[nH+]c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000270272148 372728438 /nfs/dbraw/zinc/72/84/38/372728438.db2.gz LJKDGSZHQDQRRF-WMLDXEAASA-N 2 1 289.423 2.315 20 0 CEADMP c1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)sn1 ZINC000641800592 372742499 /nfs/dbraw/zinc/74/24/99/372742499.db2.gz ZJCLMSINTJGTSG-AAEUAGOBSA-N 2 1 251.399 2.107 20 0 CEADMP c1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)sn1 ZINC000641800592 372742504 /nfs/dbraw/zinc/74/25/04/372742504.db2.gz ZJCLMSINTJGTSG-AAEUAGOBSA-N 2 1 251.399 2.107 20 0 CEADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ncccc1C(F)(F)F ZINC000641801289 372743616 /nfs/dbraw/zinc/74/36/16/372743616.db2.gz OYKNWKPHZBWEPD-QWRGUYRKSA-N 2 1 273.302 2.316 20 0 CEADMP Cc1ncccc1O[C@@H]1CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000364514973 372746320 /nfs/dbraw/zinc/74/63/20/372746320.db2.gz UOCYCWDRMWCIEB-MRXNPFEDSA-N 2 1 289.423 2.329 20 0 CEADMP Cc1ncccc1O[C@@H]1CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000364514973 372746327 /nfs/dbraw/zinc/74/63/27/372746327.db2.gz UOCYCWDRMWCIEB-MRXNPFEDSA-N 2 1 289.423 2.329 20 0 CEADMP Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641803082 372748365 /nfs/dbraw/zinc/74/83/65/372748365.db2.gz DGLMVRLEFAMRQW-MELADBBJSA-N 2 1 289.423 2.346 20 0 CEADMP CC1(C)[C@H]([NH2+]CC(=O)NCCCC2CCCCC2)C[C@@H]1[NH3+] ZINC000641804770 372749297 /nfs/dbraw/zinc/74/92/97/372749297.db2.gz LIJVWTYCEVTEHD-LSDHHAIUSA-N 2 1 295.471 2.179 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c(C)c1 ZINC000641807120 372753873 /nfs/dbraw/zinc/75/38/73/372753873.db2.gz QRWMEZUBCLLKSX-AEGPPILISA-N 2 1 289.423 2.346 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(F)cc1F ZINC000641809611 372756223 /nfs/dbraw/zinc/75/62/23/372756223.db2.gz XFWCWOHIBLNKEW-AQUOVQTQSA-N 2 1 297.349 2.007 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1-n1cncn1 ZINC000344662172 217267437 /nfs/dbraw/zinc/26/74/37/217267437.db2.gz FRNOMPDZWRMFJB-ZBFHGGJFSA-N 2 1 299.422 2.148 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000353505392 220124116 /nfs/dbraw/zinc/12/41/16/220124116.db2.gz DEEUUFGBSTXAEZ-OAGGEKHMSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000353501242 220121013 /nfs/dbraw/zinc/12/10/13/220121013.db2.gz LUWVIRRQDPYNGI-DOTOQJQBSA-N 2 1 295.471 2.004 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000270861338 372986422 /nfs/dbraw/zinc/98/64/22/372986422.db2.gz JWZPWYJUMCFYCX-GJZGRUSLSA-N 2 1 289.379 2.373 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000270861338 372986427 /nfs/dbraw/zinc/98/64/27/372986427.db2.gz JWZPWYJUMCFYCX-GJZGRUSLSA-N 2 1 289.379 2.373 20 0 CEADMP Cc1nccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)n1 ZINC000366453996 373054469 /nfs/dbraw/zinc/05/44/69/373054469.db2.gz IZYPAJKBOKWECX-DOMZBBRYSA-N 2 1 271.368 2.065 20 0 CEADMP Cc1noc(C2CCC([NH2+]C[C@@H]3CCCC[NH2+]3)CC2)n1 ZINC000643502587 373162142 /nfs/dbraw/zinc/16/21/42/373162142.db2.gz KRBDDARLPTUGLR-RUXDESIVSA-N 2 1 278.400 2.136 20 0 CEADMP c1n[nH]c2c1[C@@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCC2 ZINC000367600020 373165303 /nfs/dbraw/zinc/16/53/03/373165303.db2.gz ZDNKOOMTBDKDSB-HNNXBMFYSA-N 2 1 274.412 2.251 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[NH2+]C1CC1 ZINC000643506370 373166092 /nfs/dbraw/zinc/16/60/92/373166092.db2.gz UHJBVXRYAOIOHB-QAPCUYQASA-N 2 1 287.451 2.239 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCN3CCCCC3)C2)CC1 ZINC000366863177 373126949 /nfs/dbraw/zinc/12/69/49/373126949.db2.gz FXUDJEPUBAPOTQ-UHFFFAOYSA-N 2 1 279.472 2.280 20 0 CEADMP C[NH+]1CCC2(CCCN(CC[NH+]3CCCCC3)C2)CC1 ZINC000366863177 373126957 /nfs/dbraw/zinc/12/69/57/373126957.db2.gz FXUDJEPUBAPOTQ-UHFFFAOYSA-N 2 1 279.472 2.280 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCNc2ccccn2)[C@H]2CCC[C@@H]21 ZINC000367640328 373170901 /nfs/dbraw/zinc/17/09/01/373170901.db2.gz ZUDONGHOVHSSFS-PMPSAXMXSA-N 2 1 288.439 2.346 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1COc2c1cccc2Cl ZINC000643466902 373137427 /nfs/dbraw/zinc/13/74/27/373137427.db2.gz ZVCGPNHSGFRTDE-YGOYTEALSA-N 2 1 254.761 2.489 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nn(C)c2ccccc12 ZINC000643481069 373149018 /nfs/dbraw/zinc/14/90/18/373149018.db2.gz LBTSKEVXINIFOM-GXTWGEPZSA-N 2 1 272.396 2.051 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000271911520 373211627 /nfs/dbraw/zinc/21/16/27/373211627.db2.gz YASYJAPFUSEEQN-CYBMUJFWSA-N 2 1 288.391 2.370 20 0 CEADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643528552 373185133 /nfs/dbraw/zinc/18/51/33/373185133.db2.gz LIGQYNCLLFTMHB-NWDGAFQWSA-N 2 1 278.400 2.214 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000643527703 373185713 /nfs/dbraw/zinc/18/57/13/373185713.db2.gz RGFZGWRZKNMODB-SLEUVZQESA-N 2 1 266.360 2.230 20 0 CEADMP COc1ccnc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000271355679 373190601 /nfs/dbraw/zinc/19/06/01/373190601.db2.gz ZHILOQYCLFWPAT-XJKSGUPXSA-N 2 1 286.379 2.370 20 0 CEADMP COc1ccnc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000271355679 373190603 /nfs/dbraw/zinc/19/06/03/373190603.db2.gz ZHILOQYCLFWPAT-XJKSGUPXSA-N 2 1 286.379 2.370 20 0 CEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(-n2ccnn2)c1 ZINC000643543499 373202950 /nfs/dbraw/zinc/20/29/50/373202950.db2.gz PERIZZUQHRERKA-CXAGYDPISA-N 2 1 299.422 2.435 20 0 CEADMP Cn1cncc1C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000369542043 373449757 /nfs/dbraw/zinc/44/97/57/373449757.db2.gz XSWUGJHROJMWJS-IUODEOHRSA-N 2 1 290.436 2.264 20 0 CEADMP Cn1cncc1C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000369542043 373449760 /nfs/dbraw/zinc/44/97/60/373449760.db2.gz XSWUGJHROJMWJS-IUODEOHRSA-N 2 1 290.436 2.264 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cc[nH]c3n2)[C@@H](C)C1 ZINC000353625906 220202368 /nfs/dbraw/zinc/20/23/68/220202368.db2.gz HLGFIKHKQYPNBS-WFASDCNBSA-N 2 1 272.396 2.383 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3cc[nH]c3n2)[C@@H](C)C1 ZINC000353625906 220202370 /nfs/dbraw/zinc/20/23/70/220202370.db2.gz HLGFIKHKQYPNBS-WFASDCNBSA-N 2 1 272.396 2.383 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCC(F)(F)C1 ZINC000644600416 373551952 /nfs/dbraw/zinc/55/19/52/373551952.db2.gz PRUFWFABEPIREN-LSDHHAIUSA-N 2 1 298.377 2.257 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCC(F)(F)C1 ZINC000644600416 373551961 /nfs/dbraw/zinc/55/19/61/373551961.db2.gz PRUFWFABEPIREN-LSDHHAIUSA-N 2 1 298.377 2.257 20 0 CEADMP CC(C)CC[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000644619049 373563506 /nfs/dbraw/zinc/56/35/06/373563506.db2.gz NTPKLGQKTSDEBN-DZGCQCFKSA-N 2 1 254.418 2.024 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CC[C@H](C3CCC3)C2)n1C ZINC000644904284 373772055 /nfs/dbraw/zinc/77/20/55/373772055.db2.gz MGGHPQNGOJEXQZ-ZDUSSCGKSA-N 2 1 262.401 2.108 20 0 CEADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(C)c1 ZINC000353669794 220239153 /nfs/dbraw/zinc/23/91/53/220239153.db2.gz FGYMIOVNXPVRDG-JKSUJKDBSA-N 2 1 262.397 2.102 20 0 CEADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(C)c1 ZINC000353669794 220239157 /nfs/dbraw/zinc/23/91/57/220239157.db2.gz FGYMIOVNXPVRDG-JKSUJKDBSA-N 2 1 262.397 2.102 20 0 CEADMP CCOC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371195261 373809523 /nfs/dbraw/zinc/80/95/23/373809523.db2.gz KJWABJUHQXJXMP-HNNXBMFYSA-N 2 1 282.428 2.138 20 0 CEADMP CCOC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371195261 373809530 /nfs/dbraw/zinc/80/95/30/373809530.db2.gz KJWABJUHQXJXMP-HNNXBMFYSA-N 2 1 282.428 2.138 20 0 CEADMP Cc1cn2c([nH+]1)CC[C@H](N[C@@H](C)c1nc(C(C)C)no1)C2 ZINC000371490188 373900886 /nfs/dbraw/zinc/90/08/86/373900886.db2.gz CZYJXXRGENCNQB-RYUDHWBXSA-N 2 1 289.383 2.364 20 0 CEADMP Cc1cc(N(C)CC(C)(C)C[NH+]2CCOCC2)cc[nH+]1 ZINC000274930039 374098861 /nfs/dbraw/zinc/09/88/61/374098861.db2.gz QRXBYTGCSCQFBY-UHFFFAOYSA-N 2 1 277.412 2.185 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC[C@@H]3CCOC3)CC[C@@H]21 ZINC000645815923 374203421 /nfs/dbraw/zinc/20/34/21/374203421.db2.gz CRAAYQUPNHQUNY-OAGGEKHMSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)CC[C@@H]21 ZINC000645815923 374203428 /nfs/dbraw/zinc/20/34/28/374203428.db2.gz CRAAYQUPNHQUNY-OAGGEKHMSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC[C@@H]3CCOC3)CC[C@@H]21 ZINC000645815923 374203432 /nfs/dbraw/zinc/20/34/32/374203432.db2.gz CRAAYQUPNHQUNY-OAGGEKHMSA-N 2 1 266.429 2.219 20 0 CEADMP CN1CC[C@@H]2CC[N@H+](CCOc3ccc(F)cc3)[C@H]2C1 ZINC000373140342 374277214 /nfs/dbraw/zinc/27/72/14/374277214.db2.gz OJQBCVADZONRHZ-CJNGLKHVSA-N 2 1 278.371 2.231 20 0 CEADMP CN1CC[C@@H]2CC[N@@H+](CCOc3ccc(F)cc3)[C@H]2C1 ZINC000373140342 374277225 /nfs/dbraw/zinc/27/72/25/374277225.db2.gz OJQBCVADZONRHZ-CJNGLKHVSA-N 2 1 278.371 2.231 20 0 CEADMP C[C@H](CCC1CC1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000373238819 374303701 /nfs/dbraw/zinc/30/37/01/374303701.db2.gz HVWQGRPLAIVSBA-VHDGCEQUSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H](CCC1CC1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000373238819 374303704 /nfs/dbraw/zinc/30/37/04/374303704.db2.gz HVWQGRPLAIVSBA-VHDGCEQUSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000645965240 374315357 /nfs/dbraw/zinc/31/53/57/374315357.db2.gz PYFCFDBPBCHKRE-HNNXBMFYSA-N 2 1 295.452 2.180 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000645965240 374315360 /nfs/dbraw/zinc/31/53/60/374315360.db2.gz PYFCFDBPBCHKRE-HNNXBMFYSA-N 2 1 295.452 2.180 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cn1 ZINC000276972849 374365191 /nfs/dbraw/zinc/36/51/91/374365191.db2.gz QBCYXKNQNTVATQ-AWEZNQCLSA-N 2 1 278.444 2.356 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000684110203 541927170 /nfs/dbraw/zinc/92/71/70/541927170.db2.gz QDAPNCMVHZBGJQ-HNNXBMFYSA-N 2 1 284.407 2.304 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000684110203 541927174 /nfs/dbraw/zinc/92/71/74/541927174.db2.gz QDAPNCMVHZBGJQ-HNNXBMFYSA-N 2 1 284.407 2.304 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000334141842 206059477 /nfs/dbraw/zinc/05/94/77/206059477.db2.gz LTBZWRPZYHLDFJ-WCQYABFASA-N 2 1 271.364 2.110 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)CC1 ZINC000277235939 374449529 /nfs/dbraw/zinc/44/95/29/374449529.db2.gz PCDQLHTVZQPZJI-HZPDHXFCSA-N 2 1 262.397 2.136 20 0 CEADMP CC(C)c1nccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCOC1 ZINC000375829255 374679716 /nfs/dbraw/zinc/67/97/16/374679716.db2.gz IVXVPCISZMCLLU-UONOGXRCSA-N 2 1 263.385 2.260 20 0 CEADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@H]1CCCC13CCOCC3)C2 ZINC000376740562 374725241 /nfs/dbraw/zinc/72/52/41/374725241.db2.gz WLWAIQWHUXKLHS-CABCVRRESA-N 2 1 289.423 2.384 20 0 CEADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3cccnc3)C2)C1 ZINC000334255133 206264411 /nfs/dbraw/zinc/26/44/11/206264411.db2.gz LFTXCXDTVRWOQF-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3cccnc3)C2)C1 ZINC000334255133 206264415 /nfs/dbraw/zinc/26/44/15/206264415.db2.gz LFTXCXDTVRWOQF-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3cccnc3)C2)C1 ZINC000334255133 206264418 /nfs/dbraw/zinc/26/44/18/206264418.db2.gz LFTXCXDTVRWOQF-MRXNPFEDSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccsc3)C2)CC1 ZINC000377632254 374906014 /nfs/dbraw/zinc/90/60/14/374906014.db2.gz WANUACMZTWYKQD-HNNXBMFYSA-N 2 1 293.480 2.208 20 0 CEADMP Cc1ccc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000378354690 375081840 /nfs/dbraw/zinc/08/18/40/375081840.db2.gz KZGLGLRTLMMCHP-HNNXBMFYSA-N 2 1 293.480 2.268 20 0 CEADMP Cc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000378354690 375081850 /nfs/dbraw/zinc/08/18/50/375081850.db2.gz KZGLGLRTLMMCHP-HNNXBMFYSA-N 2 1 293.480 2.268 20 0 CEADMP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000378211289 375044742 /nfs/dbraw/zinc/04/47/42/375044742.db2.gz PTNRLNPHMOYTJZ-KBPBESRZSA-N 2 1 292.427 2.026 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000382562902 375188655 /nfs/dbraw/zinc/18/86/55/375188655.db2.gz YTJHCXSQSFVKHA-YJBOKZPZSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000382562902 375188662 /nfs/dbraw/zinc/18/86/62/375188662.db2.gz YTJHCXSQSFVKHA-YJBOKZPZSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@]1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCCS1 ZINC000383021670 375196776 /nfs/dbraw/zinc/19/67/76/375196776.db2.gz RSFDFILJEBJOHV-GXTWGEPZSA-N 2 1 254.443 2.346 20 0 CEADMP COc1ccc(F)cc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000388963533 375296503 /nfs/dbraw/zinc/29/65/03/375296503.db2.gz NLWONLSGAZGLHV-LBPRGKRZSA-N 2 1 266.360 2.266 20 0 CEADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000386701773 375266049 /nfs/dbraw/zinc/26/60/49/375266049.db2.gz NPOXULPSFVGMNY-CVEARBPZSA-N 2 1 298.471 2.018 20 0 CEADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000386701773 375266056 /nfs/dbraw/zinc/26/60/56/375266056.db2.gz NPOXULPSFVGMNY-CVEARBPZSA-N 2 1 298.471 2.018 20 0 CEADMP CCc1nc(N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc(C)[nH+]1 ZINC000397253396 375340300 /nfs/dbraw/zinc/34/03/00/375340300.db2.gz FKYDVRDRHPZMHJ-DRZSPHRISA-N 2 1 262.401 2.157 20 0 CEADMP C[C@H]1C[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000399115044 375359276 /nfs/dbraw/zinc/35/92/76/375359276.db2.gz FSEQNFKUMZTNKF-FZCLSBEQSA-N 2 1 287.451 2.380 20 0 CEADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCO ZINC000282594861 375525064 /nfs/dbraw/zinc/52/50/64/375525064.db2.gz XKQHSLQYCJWLCA-INIZCTEOSA-N 2 1 276.424 2.259 20 0 CEADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCO ZINC000282594861 375525072 /nfs/dbraw/zinc/52/50/72/375525072.db2.gz XKQHSLQYCJWLCA-INIZCTEOSA-N 2 1 276.424 2.259 20 0 CEADMP CCc1nc(N2CCC([NH2+]C(C)C)CC2)cc(C)[nH+]1 ZINC000283789821 375760840 /nfs/dbraw/zinc/76/08/40/375760840.db2.gz RTLBADVAXUMTBV-UHFFFAOYSA-N 2 1 262.401 2.314 20 0 CEADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000286150920 375857511 /nfs/dbraw/zinc/85/75/11/375857511.db2.gz PLAYSSSWZRTRNM-RYUDHWBXSA-N 2 1 291.395 2.008 20 0 CEADMP C[C@H]1C[C@@H](c2nc(-c3ccc(C[NH3+])cc3)no2)CC[N@H+]1C ZINC000414639790 375892474 /nfs/dbraw/zinc/89/24/74/375892474.db2.gz FQRRINVCQQBIPN-FZMZJTMJSA-N 2 1 286.379 2.393 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC[NH2+]1 ZINC000414763784 375954709 /nfs/dbraw/zinc/95/47/09/375954709.db2.gz XYRVATZCJFPDCT-TUVASFSCSA-N 2 1 268.445 2.103 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000414795714 375980459 /nfs/dbraw/zinc/98/04/59/375980459.db2.gz GZRHCUXTHABYTK-LBPRGKRZSA-N 2 1 274.286 2.412 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1O ZINC000414777259 375963298 /nfs/dbraw/zinc/96/32/98/375963298.db2.gz HWGAVHKFKIMDCB-CABCVRRESA-N 2 1 290.407 2.222 20 0 CEADMP Cn1cc(-c2ccc(C[N@H+](C)C3CC([NH3+])C3)s2)cn1 ZINC000414779565 375964009 /nfs/dbraw/zinc/96/40/09/375964009.db2.gz RRYZKFBWOKGADL-UHFFFAOYSA-N 2 1 276.409 2.070 20 0 CEADMP Cn1cc(-c2ccc(C[N@@H+](C)C3CC([NH3+])C3)s2)cn1 ZINC000414779565 375964012 /nfs/dbraw/zinc/96/40/12/375964012.db2.gz RRYZKFBWOKGADL-UHFFFAOYSA-N 2 1 276.409 2.070 20 0 CEADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414779398 375964200 /nfs/dbraw/zinc/96/42/00/375964200.db2.gz JOYHGGRROLQNHV-UHFFFAOYSA-N 2 1 288.370 2.161 20 0 CEADMP C[N@@H+](Cc1ccc(Oc2cnccn2)cc1)C1CC([NH3+])C1 ZINC000414780690 375966004 /nfs/dbraw/zinc/96/60/04/375966004.db2.gz UBGILKQJCUIATH-UHFFFAOYSA-N 2 1 284.363 2.190 20 0 CEADMP c1ccc(OCC2CC2)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000414792711 375975040 /nfs/dbraw/zinc/97/50/40/375975040.db2.gz SUXJFZWLAYASFA-UHFFFAOYSA-N 2 1 260.381 2.317 20 0 CEADMP COc1ccc([C@@H]2CCC[N@H+]2CCC[NH3+])c(OC)c1 ZINC000414677429 375913980 /nfs/dbraw/zinc/91/39/80/375913980.db2.gz JBWFAJQIZQANTQ-AWEZNQCLSA-N 2 1 264.369 2.190 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000414679980 375915359 /nfs/dbraw/zinc/91/53/59/375915359.db2.gz MOGONITVESPRRX-OCCSQVGLSA-N 2 1 276.380 2.235 20 0 CEADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000414679979 375915761 /nfs/dbraw/zinc/91/57/61/375915761.db2.gz MOGONITVESPRRX-JSGCOSHPSA-N 2 1 276.380 2.235 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000414687501 375919402 /nfs/dbraw/zinc/91/94/02/375919402.db2.gz BZMYLLZOQUHQHO-ZBFHGGJFSA-N 2 1 297.487 2.233 20 0 CEADMP [NH3+]CCC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000414707093 375932941 /nfs/dbraw/zinc/93/29/41/375932941.db2.gz NKWJFTUWPUVVHZ-LLVKDONJSA-N 2 1 254.761 2.142 20 0 CEADMP [NH3+]CCC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000414707093 375932946 /nfs/dbraw/zinc/93/29/46/375932946.db2.gz NKWJFTUWPUVVHZ-LLVKDONJSA-N 2 1 254.761 2.142 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414708111 375934085 /nfs/dbraw/zinc/93/40/85/375934085.db2.gz OUMKGLXGLWCUKY-CABCVRRESA-N 2 1 255.450 2.024 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414728558 375940872 /nfs/dbraw/zinc/94/08/72/375940872.db2.gz CHEFNLHZUDCKGU-ONIAQPFYSA-N 3 1 287.451 2.049 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CC[NH2+]1 ZINC000414734233 375943788 /nfs/dbraw/zinc/94/37/88/375943788.db2.gz DIWAFQCLDGKJRP-FVCCEPFGSA-N 2 1 294.361 2.010 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@@H+](CCO)CC1CCCCC1 ZINC000414742871 375947934 /nfs/dbraw/zinc/94/79/34/375947934.db2.gz MOXPCQPKXDCJAN-HNNXBMFYSA-N 2 1 256.434 2.234 20 0 CEADMP CCOc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1F ZINC000414804894 375992064 /nfs/dbraw/zinc/99/20/64/375992064.db2.gz YDVZBKAPUZMINS-CYBMUJFWSA-N 2 1 254.349 2.297 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]Cc1ccc(F)cc1Br ZINC000414888140 376010139 /nfs/dbraw/zinc/01/01/39/376010139.db2.gz ZSQFVVPIFLVQGB-MRVPVSSYSA-N 2 1 275.165 2.273 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000414846285 376010452 /nfs/dbraw/zinc/01/04/52/376010452.db2.gz UOPWYBQBHUAUGP-UXLLHSPISA-N 3 1 281.488 2.475 20 0 CEADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000414855844 376011588 /nfs/dbraw/zinc/01/15/88/376011588.db2.gz XLXKSNXHNCJEKW-GJZGRUSLSA-N 2 1 283.460 2.131 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH3+])CC1CCC(C(C)(C)C)CC1 ZINC000415069610 376019997 /nfs/dbraw/zinc/01/99/97/376019997.db2.gz PGJRAWZUSMTBKL-RUXDESIVSA-N 2 1 256.434 2.090 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416332259 376044759 /nfs/dbraw/zinc/04/47/59/376044759.db2.gz GCNUIQYDKFPIOL-GASCZTMLSA-N 2 1 295.471 2.192 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000414804242 375989897 /nfs/dbraw/zinc/98/98/97/375989897.db2.gz OLFMRXKAPPJCHQ-XJKSGUPXSA-N 2 1 270.380 2.089 20 0 CEADMP Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000286945121 376111027 /nfs/dbraw/zinc/11/10/27/376111027.db2.gz BJIRNJZVHUHRBJ-UONOGXRCSA-N 2 1 270.380 2.500 20 0 CEADMP C[N@@H+](CCOCC1CCC1)C[C@H]1CCC[NH+](C)C1 ZINC000419216671 376396920 /nfs/dbraw/zinc/39/69/20/376396920.db2.gz OFYCILDCRMDAHP-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP C[NH+](CCOCC1CCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000419216671 376396927 /nfs/dbraw/zinc/39/69/27/376396927.db2.gz OFYCILDCRMDAHP-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP C[NH+](CCOCC1CCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000419216671 376396935 /nfs/dbraw/zinc/39/69/35/376396935.db2.gz OFYCILDCRMDAHP-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000262719877 190061337 /nfs/dbraw/zinc/06/13/37/190061337.db2.gz YQBIFVGFTPWHAL-RHSMWYFYSA-N 2 1 291.439 2.141 20 0 CEADMP C[C@H]([NH2+]Cc1cnc(C2CC2)s1)[C@H]1CCC[NH2+]C1 ZINC000556934220 376519649 /nfs/dbraw/zinc/51/96/49/376519649.db2.gz RAGSYDBTEUYNLK-JQWIXIFHSA-N 2 1 265.426 2.498 20 0 CEADMP FC(F)(F)CO[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000557333446 376550785 /nfs/dbraw/zinc/55/07/85/376550785.db2.gz AYSCEJDPHQYJOB-QWHCGFSZSA-N 2 1 294.361 2.419 20 0 CEADMP C[C@]1(C[NH2+]Cc2cncnc2)CC[N@H+](Cc2ccccc2)C1 ZINC000309723050 376603091 /nfs/dbraw/zinc/60/30/91/376603091.db2.gz MTSIAPBENHGXRG-GOSISDBHSA-N 2 1 296.418 2.478 20 0 CEADMP C[C@]1(C[NH2+]Cc2cncnc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309723050 376603093 /nfs/dbraw/zinc/60/30/93/376603093.db2.gz MTSIAPBENHGXRG-GOSISDBHSA-N 2 1 296.418 2.478 20 0 CEADMP CCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000307970555 376576643 /nfs/dbraw/zinc/57/66/43/376576643.db2.gz GRVXPEUMBSOPOK-NUEKZKHPSA-N 2 1 276.428 2.079 20 0 CEADMP CC1CCC([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000557797181 376582223 /nfs/dbraw/zinc/58/22/23/376582223.db2.gz UCGOOGFKBDPPFV-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[C@H](C[NH3+])Nc1[nH+]c2cccc(F)c2n1C ZINC000420208119 376614437 /nfs/dbraw/zinc/61/44/37/376614437.db2.gz ROWCENTWVQFECS-SNVBAGLBSA-N 2 1 264.348 2.064 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N(C)CC[C@H]([NH3+])C(C)C ZINC000420211571 376618696 /nfs/dbraw/zinc/61/86/96/376618696.db2.gz WAKRMYRMJLWWFV-ZDUSSCGKSA-N 2 1 279.384 2.068 20 0 CEADMP C(CC1CCOCC1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000310751478 376634157 /nfs/dbraw/zinc/63/41/57/376634157.db2.gz VNDPMGHKNMDDFM-LSDHHAIUSA-N 2 1 252.402 2.020 20 0 CEADMP CCC[NH+]1CCC(N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000311104464 376651724 /nfs/dbraw/zinc/65/17/24/376651724.db2.gz STTLPKGVHBTLSO-CQSZACIVSA-N 2 1 255.450 2.179 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]1C1CCCC1)C1CC1 ZINC000311469251 376671054 /nfs/dbraw/zinc/67/10/54/376671054.db2.gz XWQORIJQNXLUBG-CVEARBPZSA-N 2 1 266.429 2.096 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]1C1CCCC1)C1CC1 ZINC000311469251 376671061 /nfs/dbraw/zinc/67/10/61/376671061.db2.gz XWQORIJQNXLUBG-CVEARBPZSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCCC1)C1CC1 ZINC000311469251 376671067 /nfs/dbraw/zinc/67/10/67/376671067.db2.gz XWQORIJQNXLUBG-CVEARBPZSA-N 2 1 266.429 2.096 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]1C1CCCC1)C1CC1 ZINC000311469251 376671072 /nfs/dbraw/zinc/67/10/72/376671072.db2.gz XWQORIJQNXLUBG-CVEARBPZSA-N 2 1 266.429 2.096 20 0 CEADMP CC1(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000558975044 376656121 /nfs/dbraw/zinc/65/61/21/376656121.db2.gz MZXUMNKWZXRIKE-MRXNPFEDSA-N 2 1 274.408 2.143 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1cc(C)nc(C)c1 ZINC000420809379 376718454 /nfs/dbraw/zinc/71/84/54/376718454.db2.gz YCTWAKABRKBRDB-AWEZNQCLSA-N 2 1 292.427 2.228 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnn(-c2ccccc2)c1)C[NH+](C)C ZINC000312557161 376719144 /nfs/dbraw/zinc/71/91/44/376719144.db2.gz SHSPZLBZQNSXLA-AWEZNQCLSA-N 2 1 272.396 2.160 20 0 CEADMP CCC1(CC)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000311823807 376688549 /nfs/dbraw/zinc/68/85/49/376688549.db2.gz DASZMQIAUGWMOK-HNNXBMFYSA-N 2 1 268.445 2.344 20 0 CEADMP CCC1(CC)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000311823807 376688551 /nfs/dbraw/zinc/68/85/51/376688551.db2.gz DASZMQIAUGWMOK-HNNXBMFYSA-N 2 1 268.445 2.344 20 0 CEADMP COc1cncc(CN(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000290395306 376759484 /nfs/dbraw/zinc/75/94/84/376759484.db2.gz SLTBLVXHKULVDM-HNNXBMFYSA-N 2 1 277.412 2.396 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@H](O)C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000420917613 376738418 /nfs/dbraw/zinc/73/84/18/376738418.db2.gz SYLBPILGULBURL-OKZBNKHCSA-N 2 1 288.435 2.211 20 0 CEADMP C[NH+](C[C@H]1C[C@@H](O)C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000420917613 376738427 /nfs/dbraw/zinc/73/84/27/376738427.db2.gz SYLBPILGULBURL-OKZBNKHCSA-N 2 1 288.435 2.211 20 0 CEADMP C[NH+](C[C@H]1C[C@@H](O)C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420917613 376738435 /nfs/dbraw/zinc/73/84/35/376738435.db2.gz SYLBPILGULBURL-OKZBNKHCSA-N 2 1 288.435 2.211 20 0 CEADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc3nccn32)C1 ZINC000290458073 376787743 /nfs/dbraw/zinc/78/77/43/376787743.db2.gz MVJVPNRUZOFXER-HOCLYGCPSA-N 2 1 284.407 2.250 20 0 CEADMP CC[NH+](CC)[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])c1ccco1 ZINC000422975367 376898381 /nfs/dbraw/zinc/89/83/81/376898381.db2.gz SPWNYAKDCJHBRE-HZSPNIEDSA-N 2 1 267.417 2.378 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)[C@H]1C ZINC000562089823 376844325 /nfs/dbraw/zinc/84/43/25/376844325.db2.gz HAHPCLGGWLMHLY-ZQDZILKHSA-N 2 1 284.444 2.283 20 0 CEADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)[C@H]1C ZINC000562089823 376844333 /nfs/dbraw/zinc/84/43/33/376844333.db2.gz HAHPCLGGWLMHLY-ZQDZILKHSA-N 2 1 284.444 2.283 20 0 CEADMP Cc1nccn1CCC[N@H+](C)Cc1cncs1 ZINC000290585402 376844328 /nfs/dbraw/zinc/84/43/28/376844328.db2.gz UXBVXKBKXMQAMH-UHFFFAOYSA-N 2 1 250.371 2.170 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cncs1 ZINC000290585402 376844343 /nfs/dbraw/zinc/84/43/43/376844343.db2.gz UXBVXKBKXMQAMH-UHFFFAOYSA-N 2 1 250.371 2.170 20 0 CEADMP CC[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000328211532 376845710 /nfs/dbraw/zinc/84/57/10/376845710.db2.gz VMTILSHFFIJHBY-SFHVURJKSA-N 2 1 287.451 2.335 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc3c[nH]nc3c2)C1 ZINC000290600921 376849381 /nfs/dbraw/zinc/84/93/81/376849381.db2.gz VWPOQPKEYMGMNC-DOTOQJQBSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3c[nH]nc3c2)C1 ZINC000290600921 376849385 /nfs/dbraw/zinc/84/93/85/376849385.db2.gz VWPOQPKEYMGMNC-DOTOQJQBSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3c[nH]nc3c2)C1 ZINC000290600921 376849390 /nfs/dbraw/zinc/84/93/90/376849390.db2.gz VWPOQPKEYMGMNC-DOTOQJQBSA-N 2 1 284.407 2.479 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422957437 376880743 /nfs/dbraw/zinc/88/07/43/376880743.db2.gz UCJXLLJRUIXIJO-AAEUAGOBSA-N 2 1 279.453 2.152 20 0 CEADMP C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)[C@H]1CCCC[NH2+]1 ZINC000423018591 376934391 /nfs/dbraw/zinc/93/43/91/376934391.db2.gz ZJBWLIWKWGVZQQ-IUODEOHRSA-N 2 1 274.412 2.017 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423087689 376978800 /nfs/dbraw/zinc/97/88/00/376978800.db2.gz OQMMIPPONMYCAI-VNCIIQTRSA-N 2 1 288.435 2.130 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)CC2 ZINC000423067899 376957320 /nfs/dbraw/zinc/95/73/20/376957320.db2.gz ANVAOXDSMYNQEZ-SNPRPXQTSA-N 2 1 276.428 2.051 20 0 CEADMP C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000423121752 377016980 /nfs/dbraw/zinc/01/69/80/377016980.db2.gz IUMDXRZTNQRQMB-ZVXAKGHKSA-N 2 1 264.344 2.235 20 0 CEADMP COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423136895 377034668 /nfs/dbraw/zinc/03/46/68/377034668.db2.gz ZRYQIKGVKFZJKQ-BZUAXINKSA-N 2 1 298.471 2.186 20 0 CEADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000423091032 376985404 /nfs/dbraw/zinc/98/54/04/376985404.db2.gz YZXRNVZLYZOCSF-KKUMJFAQSA-N 2 1 267.461 2.214 20 0 CEADMP C[N@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000423091032 376985412 /nfs/dbraw/zinc/98/54/12/376985412.db2.gz YZXRNVZLYZOCSF-KKUMJFAQSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CSC1(C)C ZINC000423098501 376990901 /nfs/dbraw/zinc/99/09/01/376990901.db2.gz CYDTWCIAVJBSAN-FPMFFAJLSA-N 2 1 264.438 2.429 20 0 CEADMP CCCC[NH+]1CCC([NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000290966110 377006411 /nfs/dbraw/zinc/00/64/11/377006411.db2.gz WWFVMCFCGUVTFT-UHFFFAOYSA-N 2 1 287.411 2.312 20 0 CEADMP CC[C@@H]([NH2+]CCc1cc(C)no1)[C@@H]1CCCC[NH2+]1 ZINC000423115502 377009556 /nfs/dbraw/zinc/00/95/56/377009556.db2.gz YBIIAFQKUGFYPA-KGLIPLIRSA-N 2 1 251.374 2.036 20 0 CEADMP C[C@@H]([NH2+]C[C@](C)(CO)c1ccccc1)c1c[nH+]ccc1N ZINC000423116082 377009898 /nfs/dbraw/zinc/00/98/98/377009898.db2.gz ZLCFGRHNHHIADQ-CXAGYDPISA-N 2 1 285.391 2.095 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423197640 377112473 /nfs/dbraw/zinc/11/24/73/377112473.db2.gz AGBAZKHHPIVLMR-GFCCVEGCSA-N 2 1 264.417 2.431 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000423198414 377113075 /nfs/dbraw/zinc/11/30/75/377113075.db2.gz FTQRYLVZCMCOLL-CYBMUJFWSA-N 2 1 252.333 2.239 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000423200554 377115888 /nfs/dbraw/zinc/11/58/88/377115888.db2.gz MLPNLPGBTVHXGD-ZDUSSCGKSA-N 2 1 256.777 2.227 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCC1([NH3+])CCCCCC1 ZINC000423205095 377121765 /nfs/dbraw/zinc/12/17/65/377121765.db2.gz VILQDFSTOIZUFR-UKRRQHHQSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000423205095 377121773 /nfs/dbraw/zinc/12/17/73/377121773.db2.gz VILQDFSTOIZUFR-UKRRQHHQSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@@H](CCCC[NH3+])[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000423153400 377054154 /nfs/dbraw/zinc/05/41/54/377054154.db2.gz GLLMEKIBXWUGIY-KBPBESRZSA-N 2 1 283.460 2.118 20 0 CEADMP Cc1ccc(F)c(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000423153315 377054602 /nfs/dbraw/zinc/05/46/02/377054602.db2.gz NCXADSSETRTVII-IUODEOHRSA-N 2 1 250.361 2.407 20 0 CEADMP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H](O)C(F)F ZINC000423160350 377064261 /nfs/dbraw/zinc/06/42/61/377064261.db2.gz QPWHTYPFSXGSNM-RVMXOQNASA-N 2 1 270.323 2.125 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)C2 ZINC000423164850 377069134 /nfs/dbraw/zinc/06/91/34/377069134.db2.gz AKVYLNVWDQRRBL-WCQYABFASA-N 2 1 283.375 2.321 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000423171033 377080206 /nfs/dbraw/zinc/08/02/06/377080206.db2.gz NETJEMCLKUSRFK-ZFWWWQNUSA-N 3 1 290.455 2.231 20 0 CEADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000423207325 377125188 /nfs/dbraw/zinc/12/51/88/377125188.db2.gz GSBGVEWNKCXVMS-QWRGUYRKSA-N 2 1 282.409 2.185 20 0 CEADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC[NH3+] ZINC000423191016 377104843 /nfs/dbraw/zinc/10/48/43/377104843.db2.gz UAPARESFXNAGSE-MRVPVSSYSA-N 2 1 275.165 2.068 20 0 CEADMP F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423190492 377105556 /nfs/dbraw/zinc/10/55/56/377105556.db2.gz RVKDXHRPGZPVAC-NJVJYBDUSA-N 2 1 270.392 2.014 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000423272051 377193016 /nfs/dbraw/zinc/19/30/16/377193016.db2.gz JPLSUZRWXICMHU-VXGBXAGGSA-N 2 1 252.406 2.279 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000423272929 377194408 /nfs/dbraw/zinc/19/44/08/377194408.db2.gz KHRUNMQUNJEHJO-DOMZBBRYSA-N 2 1 278.396 2.354 20 0 CEADMP Cc1ncc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(C)n1 ZINC000423213966 377131599 /nfs/dbraw/zinc/13/15/99/377131599.db2.gz KUYBOVQDPBTQRJ-MJVIPROJSA-N 2 1 262.401 2.132 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H]([NH3+])c1ccccc1 ZINC000423239534 377158164 /nfs/dbraw/zinc/15/81/64/377158164.db2.gz BHFHDTPGDHPJNR-SJKOYZFVSA-N 2 1 284.407 2.199 20 0 CEADMP CC[NH2+]CC[NH2+][C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000423244632 377163694 /nfs/dbraw/zinc/16/36/94/377163694.db2.gz LKTPTWBLFRDOAA-ZIAGYGMSSA-N 2 1 254.418 2.313 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000423263914 377182002 /nfs/dbraw/zinc/18/20/02/377182002.db2.gz BKMLLJLOSYGLFL-DGCLKSJQSA-N 2 1 264.369 2.092 20 0 CEADMP COc1cccc(C[N@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000563354840 377184039 /nfs/dbraw/zinc/18/40/39/377184039.db2.gz KTTVPHBRSSHFOZ-UHFFFAOYSA-N 2 1 273.380 2.493 20 0 CEADMP COc1cccc(C[N@@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000563354840 377184049 /nfs/dbraw/zinc/18/40/49/377184049.db2.gz KTTVPHBRSSHFOZ-UHFFFAOYSA-N 2 1 273.380 2.493 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000423283579 377212135 /nfs/dbraw/zinc/21/21/35/377212135.db2.gz XLSISSNJXYHJJK-ZJUUUORDSA-N 2 1 271.792 2.250 20 0 CEADMP CC(C)[C@H]([NH2+][C@H](C)C[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000423335672 377267102 /nfs/dbraw/zinc/26/71/02/377267102.db2.gz UCIKLHAJYNCTCN-RNCFNFMXSA-N 2 1 263.341 2.167 20 0 CEADMP c1nc(-c2ccccc2)[nH]c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000563422093 377219058 /nfs/dbraw/zinc/21/90/58/377219058.db2.gz CAWGHYXPIQTANW-ZDUSSCGKSA-N 2 1 270.380 2.166 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000563444535 377227021 /nfs/dbraw/zinc/22/70/21/377227021.db2.gz OGBRDZBEVVFELK-AVRGHOLYSA-N 2 1 292.398 2.448 20 0 CEADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccccc1 ZINC000563535788 377244701 /nfs/dbraw/zinc/24/47/01/377244701.db2.gz WAGQUHSYKYORNZ-KRWDZBQOSA-N 2 1 287.407 2.091 20 0 CEADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423320941 377251995 /nfs/dbraw/zinc/25/19/95/377251995.db2.gz HCPYDXYRWMRKJI-CVEARBPZSA-N 2 1 295.471 2.084 20 0 CEADMP Cc1[nH+]ccn1CCCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423324270 377254612 /nfs/dbraw/zinc/25/46/12/377254612.db2.gz ISPKAGKFYYHHJO-LBPRGKRZSA-N 2 1 286.379 2.031 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423325782 377257491 /nfs/dbraw/zinc/25/74/91/377257491.db2.gz LRTDWWBYUSMQLI-LLVKDONJSA-N 2 1 287.407 2.448 20 0 CEADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423276285 377200631 /nfs/dbraw/zinc/20/06/31/377200631.db2.gz ODVGTODPPLKZBB-IAQYHMDHSA-N 2 1 263.385 2.279 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc(OC)c1OC ZINC000423278352 377204717 /nfs/dbraw/zinc/20/47/17/377204717.db2.gz PQBQRHLQEYFGRL-GWCFXTLKSA-N 2 1 294.395 2.100 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)ccn1 ZINC000564099186 377348282 /nfs/dbraw/zinc/34/82/82/377348282.db2.gz HCBDOFUISVLMPN-CHWSQXEVSA-N 2 1 263.385 2.083 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccn1 ZINC000564099186 377348289 /nfs/dbraw/zinc/34/82/89/377348289.db2.gz HCBDOFUISVLMPN-CHWSQXEVSA-N 2 1 263.385 2.083 20 0 CEADMP CC[C@H]1CCCC[N@H+]1Cc1cnc(N(C)C)n1C ZINC000425325533 377348545 /nfs/dbraw/zinc/34/85/45/377348545.db2.gz OPPXPGRKIVWIRI-LBPRGKRZSA-N 2 1 250.390 2.251 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]3COCC[C@@H]31)C[NH2+]CC2 ZINC000564804034 377458897 /nfs/dbraw/zinc/45/88/97/377458897.db2.gz OORCWGVSPVVQPW-AEFFLSMTSA-N 2 1 286.419 2.333 20 0 CEADMP CC[NH2+]CCCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000564822151 377463797 /nfs/dbraw/zinc/46/37/97/377463797.db2.gz DLRUQJPXDFNYDH-DOTOQJQBSA-N 2 1 275.440 2.096 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000564822151 377463805 /nfs/dbraw/zinc/46/38/05/377463805.db2.gz DLRUQJPXDFNYDH-DOTOQJQBSA-N 2 1 275.440 2.096 20 0 CEADMP COc1ccccc1/C=C\C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000564973587 377517728 /nfs/dbraw/zinc/51/77/28/377517728.db2.gz MUWFXTWZWHXAJH-AATOQMJSSA-N 2 1 272.392 2.394 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000564973587 377517733 /nfs/dbraw/zinc/51/77/33/377517733.db2.gz MUWFXTWZWHXAJH-AATOQMJSSA-N 2 1 272.392 2.394 20 0 CEADMP Cc1ncc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)n1-c1ccccc1 ZINC000564968677 377517037 /nfs/dbraw/zinc/51/70/37/377517037.db2.gz CEBFHIIBZGDUMZ-HNNXBMFYSA-N 2 1 284.407 2.351 20 0 CEADMP Cc1ncc(C[N@H+]2CCC[C@@H](C[NH3+])C2)n1-c1ccccc1 ZINC000564968677 377517041 /nfs/dbraw/zinc/51/70/41/377517041.db2.gz CEBFHIIBZGDUMZ-HNNXBMFYSA-N 2 1 284.407 2.351 20 0 CEADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000430677478 377539181 /nfs/dbraw/zinc/53/91/81/377539181.db2.gz QIONWEGXWATNRZ-ZJIFWQFVSA-N 2 1 293.455 2.027 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000685665990 542177382 /nfs/dbraw/zinc/17/73/82/542177382.db2.gz MPGMBTYKTIGHJV-CABCVRRESA-N 3 1 269.477 2.427 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000685665990 542177383 /nfs/dbraw/zinc/17/73/83/542177383.db2.gz MPGMBTYKTIGHJV-CABCVRRESA-N 3 1 269.477 2.427 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000430965777 377579361 /nfs/dbraw/zinc/57/93/61/377579361.db2.gz MENKKTIJBKWSGA-LLVKDONJSA-N 2 1 275.327 2.261 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000430965777 377579365 /nfs/dbraw/zinc/57/93/65/377579365.db2.gz MENKKTIJBKWSGA-LLVKDONJSA-N 2 1 275.327 2.261 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000685889743 542196746 /nfs/dbraw/zinc/19/67/46/542196746.db2.gz ZJUPTICRUXKCIY-AJNGGQMLSA-N 2 1 283.460 2.093 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000565814396 377699213 /nfs/dbraw/zinc/69/92/13/377699213.db2.gz MLYYPGFSNZEONH-XGUBFFRZSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000293691540 377702169 /nfs/dbraw/zinc/70/21/69/377702169.db2.gz SIQOPXPGABZXFB-CYBMUJFWSA-N 2 1 260.381 2.175 20 0 CEADMP COC[C@H](CC(C)C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432409609 377757535 /nfs/dbraw/zinc/75/75/35/377757535.db2.gz HJKICRUXAQZXQH-CVEARBPZSA-N 2 1 286.460 2.138 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCCOc1ccccc1C ZINC000435878390 377813326 /nfs/dbraw/zinc/81/33/26/377813326.db2.gz BIIRGMOPXHKFRC-UHFFFAOYSA-N 2 1 250.386 2.305 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H]2CCOC2)[C@H](C)C1 ZINC000438115325 377888358 /nfs/dbraw/zinc/88/83/58/377888358.db2.gz HEWFRRGAWMAVEC-ILXRZTDVSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H]2CCOC2)[C@H](C)C1 ZINC000438115325 377888363 /nfs/dbraw/zinc/88/83/63/377888363.db2.gz HEWFRRGAWMAVEC-ILXRZTDVSA-N 2 1 254.418 2.075 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H]2CCOC2)[C@H](C)C1 ZINC000438115325 377888369 /nfs/dbraw/zinc/88/83/69/377888369.db2.gz HEWFRRGAWMAVEC-ILXRZTDVSA-N 2 1 254.418 2.075 20 0 CEADMP CC(C)C1CC([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000442871594 378010800 /nfs/dbraw/zinc/01/08/00/378010800.db2.gz ICKZAEDMGRZPTO-UHFFFAOYSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000442891305 378014594 /nfs/dbraw/zinc/01/45/94/378014594.db2.gz QWAUYHKVOIJMKN-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443056269 378030114 /nfs/dbraw/zinc/03/01/14/378030114.db2.gz CNLNRCIWFGLVTC-BZUAXINKSA-N 2 1 295.471 2.227 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccsc1 ZINC000443086184 378035053 /nfs/dbraw/zinc/03/50/53/378035053.db2.gz NEQMJXAYIHCVCE-KGLIPLIRSA-N 2 1 268.426 2.246 20 0 CEADMP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccsc1 ZINC000443086184 378035060 /nfs/dbraw/zinc/03/50/60/378035060.db2.gz NEQMJXAYIHCVCE-KGLIPLIRSA-N 2 1 268.426 2.246 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000443433719 378052609 /nfs/dbraw/zinc/05/26/09/378052609.db2.gz WAAQENBYCMNHBT-KBPBESRZSA-N 2 1 298.394 2.009 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000443433719 378052612 /nfs/dbraw/zinc/05/26/12/378052612.db2.gz WAAQENBYCMNHBT-KBPBESRZSA-N 2 1 298.394 2.009 20 0 CEADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000295233630 378063881 /nfs/dbraw/zinc/06/38/81/378063881.db2.gz SDGYZRIUEWZDPF-CABCVRRESA-N 2 1 291.439 2.011 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CCC[C@H]2CCOC2)s1 ZINC000449688982 378219993 /nfs/dbraw/zinc/21/99/93/378219993.db2.gz IOPMEQFELGONAX-LBPRGKRZSA-N 2 1 283.441 2.111 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cncc(F)c1 ZINC000295690909 378266908 /nfs/dbraw/zinc/26/69/08/378266908.db2.gz SQNZUBDLGSPNBA-SLYWTYHBSA-N 2 1 263.360 2.497 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cncc(F)c1 ZINC000295690909 378266912 /nfs/dbraw/zinc/26/69/12/378266912.db2.gz SQNZUBDLGSPNBA-SLYWTYHBSA-N 2 1 263.360 2.497 20 0 CEADMP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1CCCOC1 ZINC000449780941 378230036 /nfs/dbraw/zinc/23/00/36/378230036.db2.gz HKLGXJGFARMHIA-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1CCCOC1 ZINC000449780941 378230042 /nfs/dbraw/zinc/23/00/42/378230042.db2.gz HKLGXJGFARMHIA-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000450428116 378411615 /nfs/dbraw/zinc/41/16/15/378411615.db2.gz GXMUCUKIRVJLHH-SOLBZPMBSA-N 2 1 290.451 2.425 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000450428116 378411618 /nfs/dbraw/zinc/41/16/18/378411618.db2.gz GXMUCUKIRVJLHH-SOLBZPMBSA-N 2 1 290.451 2.425 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000450428116 378411622 /nfs/dbraw/zinc/41/16/22/378411622.db2.gz GXMUCUKIRVJLHH-SOLBZPMBSA-N 2 1 290.451 2.425 20 0 CEADMP C[N@@H+](CCO)C1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450373807 378382589 /nfs/dbraw/zinc/38/25/89/378382589.db2.gz UUVFXODFSUJKOC-WEVVVXLNSA-N 2 1 288.435 2.478 20 0 CEADMP CCc1cc(N(C)CC[N@H+]2CCOC(C)(C)C2)cc[nH+]1 ZINC000450481327 378441230 /nfs/dbraw/zinc/44/12/30/378441230.db2.gz DQCBFNKWUAPDGR-UHFFFAOYSA-N 2 1 277.412 2.191 20 0 CEADMP CCC[C@H](O)C[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000450861971 378619644 /nfs/dbraw/zinc/61/96/44/378619644.db2.gz ZDGBRUDCKLRGKT-AWEZNQCLSA-N 2 1 267.417 2.319 20 0 CEADMP CCC[C@H](O)C[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000450861971 378619646 /nfs/dbraw/zinc/61/96/46/378619646.db2.gz ZDGBRUDCKLRGKT-AWEZNQCLSA-N 2 1 267.417 2.319 20 0 CEADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1(C)C ZINC000450970866 378665799 /nfs/dbraw/zinc/66/57/99/378665799.db2.gz NZKKOJCZSNNHGW-HRCADAONSA-N 2 1 298.471 2.015 20 0 CEADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1(C)C ZINC000450970866 378665807 /nfs/dbraw/zinc/66/58/07/378665807.db2.gz NZKKOJCZSNNHGW-HRCADAONSA-N 2 1 298.471 2.015 20 0 CEADMP CCc1cc(CCC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)on1 ZINC000451057786 378692618 /nfs/dbraw/zinc/69/26/18/378692618.db2.gz FJBKPRVBKNWUSS-MRXNPFEDSA-N 2 1 277.412 2.197 20 0 CEADMP CCc1cc(CCC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)on1 ZINC000451057786 378692622 /nfs/dbraw/zinc/69/26/22/378692622.db2.gz FJBKPRVBKNWUSS-MRXNPFEDSA-N 2 1 277.412 2.197 20 0 CEADMP CCc1cc(CCC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)on1 ZINC000451057786 378692625 /nfs/dbraw/zinc/69/26/25/378692625.db2.gz FJBKPRVBKNWUSS-MRXNPFEDSA-N 2 1 277.412 2.197 20 0 CEADMP CCc1cc(CCC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)on1 ZINC000451057786 378692631 /nfs/dbraw/zinc/69/26/31/378692631.db2.gz FJBKPRVBKNWUSS-MRXNPFEDSA-N 2 1 277.412 2.197 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H](CCCO)c1ccccc1 ZINC000298390372 378713745 /nfs/dbraw/zinc/71/37/45/378713745.db2.gz LLKRQDLMQXVKKG-MRXNPFEDSA-N 2 1 273.380 2.066 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H](C2CC2)C2CCC2)CCOCC1 ZINC000453119683 378808988 /nfs/dbraw/zinc/80/89/88/378808988.db2.gz MJUHLIARGWFHMU-HNNXBMFYSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n21 ZINC000346833896 218028559 /nfs/dbraw/zinc/02/85/59/218028559.db2.gz MWJWZDFYWJQCLU-BPUTZDHNSA-N 2 1 284.407 2.202 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000453291134 378854801 /nfs/dbraw/zinc/85/48/01/378854801.db2.gz NXUQHTFJRRWUSZ-UONOGXRCSA-N 2 1 261.413 2.289 20 0 CEADMP CC(C)([NH3+])C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000346853518 218038292 /nfs/dbraw/zinc/03/82/92/218038292.db2.gz STXNIFNMADPXFV-UHFFFAOYSA-N 2 1 287.451 2.498 20 0 CEADMP CC(C)([NH3+])CN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000346858547 218039764 /nfs/dbraw/zinc/03/97/64/218039764.db2.gz RFASSLBZLZHKHJ-UHFFFAOYSA-N 2 1 275.440 2.320 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@H]2CCC[C@@H]21 ZINC000453337949 378866633 /nfs/dbraw/zinc/86/66/33/378866633.db2.gz BWGWAJJFLISSTA-RDBSUJKOSA-N 2 1 268.445 2.246 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC[NH+](C)C2CC2)[C@H](C)C1 ZINC000453413842 378894560 /nfs/dbraw/zinc/89/45/60/378894560.db2.gz WNHOYTODXIFBCS-GDBMZVCRSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)[C@H](C)C1 ZINC000453413842 378894564 /nfs/dbraw/zinc/89/45/64/378894564.db2.gz WNHOYTODXIFBCS-GDBMZVCRSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@H](C)C1 ZINC000453413842 378894569 /nfs/dbraw/zinc/89/45/69/378894569.db2.gz WNHOYTODXIFBCS-GDBMZVCRSA-N 3 1 267.461 2.181 20 0 CEADMP CCN1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)[C@H](C)C1 ZINC000453413842 378894571 /nfs/dbraw/zinc/89/45/71/378894571.db2.gz WNHOYTODXIFBCS-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP CCN1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)[C@H](C)C1 ZINC000453413842 378894575 /nfs/dbraw/zinc/89/45/75/378894575.db2.gz WNHOYTODXIFBCS-GDBMZVCRSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453416500 378896562 /nfs/dbraw/zinc/89/65/62/378896562.db2.gz XOJDDVNLTBEBFO-LBPRGKRZSA-N 2 1 264.417 2.254 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000453424318 378899051 /nfs/dbraw/zinc/89/90/51/378899051.db2.gz GHOFFBROKHSSRJ-RYQLBKOJSA-N 2 1 290.451 2.279 20 0 CEADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000453424318 378899059 /nfs/dbraw/zinc/89/90/59/378899059.db2.gz GHOFFBROKHSSRJ-RYQLBKOJSA-N 2 1 290.451 2.279 20 0 CEADMP C[N@@H+](Cc1cc(-n2ccnc2)cs1)C1CC[NH2+]CC1 ZINC000347006980 218088924 /nfs/dbraw/zinc/08/89/24/218088924.db2.gz DBOQXSMXGLYQQF-UHFFFAOYSA-N 2 1 276.409 2.118 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000346972727 218073953 /nfs/dbraw/zinc/07/39/53/218073953.db2.gz HSBKIXKVAOOBGS-NEPJUHHUSA-N 2 1 253.415 2.178 20 0 CEADMP CCCn1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)cn1 ZINC000453590836 378914119 /nfs/dbraw/zinc/91/41/19/378914119.db2.gz BTPIVTJQHKFKQE-UHFFFAOYSA-N 2 1 264.417 2.257 20 0 CEADMP CC(C)Cc1ncc(C[N@@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000347049171 218104605 /nfs/dbraw/zinc/10/46/05/218104605.db2.gz QEJPXENGPCOTQW-NSHDSACASA-N 2 1 253.415 2.122 20 0 CEADMP CC(C)Cc1ncc(C[N@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000347049171 218104607 /nfs/dbraw/zinc/10/46/07/218104607.db2.gz QEJPXENGPCOTQW-NSHDSACASA-N 2 1 253.415 2.122 20 0 CEADMP COc1ccccc1/C=C\C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347058350 218107699 /nfs/dbraw/zinc/10/76/99/218107699.db2.gz WJTNPDSELQIPQZ-DOMBMUJNSA-N 2 1 260.381 2.378 20 0 CEADMP COc1ccccc1/C=C\C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347058350 218107701 /nfs/dbraw/zinc/10/77/01/218107701.db2.gz WJTNPDSELQIPQZ-DOMBMUJNSA-N 2 1 260.381 2.378 20 0 CEADMP C[C@H](C[NH3+])N(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000347055781 218107859 /nfs/dbraw/zinc/10/78/59/218107859.db2.gz UFBCAPLUBQPVJG-OAHLLOKOSA-N 2 1 277.456 2.424 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000347089684 218117738 /nfs/dbraw/zinc/11/77/38/218117738.db2.gz FKHNXVFDDXLHFU-WOFIAXNJSA-N 2 1 266.429 2.406 20 0 CEADMP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000347164852 218142239 /nfs/dbraw/zinc/14/22/39/218142239.db2.gz JIUYVVVFWVMUNJ-JTQLQIEISA-N 2 1 274.286 2.208 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000347164852 218142242 /nfs/dbraw/zinc/14/22/42/218142242.db2.gz JIUYVVVFWVMUNJ-JTQLQIEISA-N 2 1 274.286 2.208 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000347183475 218147873 /nfs/dbraw/zinc/14/78/73/218147873.db2.gz XHRYZECCGOHTSO-UHFFFAOYSA-N 2 1 265.426 2.452 20 0 CEADMP CCOCc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1OC ZINC000347231956 218162215 /nfs/dbraw/zinc/16/22/15/218162215.db2.gz YEDJOZMQKZQBCZ-HNNXBMFYSA-N 2 1 292.423 2.402 20 0 CEADMP C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CC1CCOCC1 ZINC000347195228 218151919 /nfs/dbraw/zinc/15/19/19/218151919.db2.gz SZYRLLVKMHPCQL-CVEARBPZSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1ccc([C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH+](C)C)cc1 ZINC000299508572 379024531 /nfs/dbraw/zinc/02/45/31/379024531.db2.gz RELLRFYJCLALST-MRXNPFEDSA-N 2 1 291.439 2.054 20 0 CEADMP FC(F)O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000503889669 379071530 /nfs/dbraw/zinc/07/15/30/379071530.db2.gz WTWWIOPTKREZJF-YVECIDJPSA-N 2 1 274.355 2.363 20 0 CEADMP CC[C@H]1CCC[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000514908569 379160271 /nfs/dbraw/zinc/16/02/71/379160271.db2.gz VWXCISKKOUBAHW-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(F)c1 ZINC000299931900 379145188 /nfs/dbraw/zinc/14/51/88/379145188.db2.gz ORQPITKRLVLVIS-NWDGAFQWSA-N 2 1 266.360 2.394 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(F)c1 ZINC000299931900 379145193 /nfs/dbraw/zinc/14/51/93/379145193.db2.gz ORQPITKRLVLVIS-NWDGAFQWSA-N 2 1 266.360 2.394 20 0 CEADMP COC1CC([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000347481542 218251654 /nfs/dbraw/zinc/25/16/54/218251654.db2.gz JHRZZMFJERBEAQ-NNNQGMHWSA-N 2 1 266.429 2.406 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000518491544 379388121 /nfs/dbraw/zinc/38/81/21/379388121.db2.gz OQGIXFVZRKPCBC-UHFFFAOYSA-N 2 1 269.477 2.427 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000302273159 379349133 /nfs/dbraw/zinc/34/91/33/379349133.db2.gz RTRDECFWTDDSIU-DZGCQCFKSA-N 2 1 254.418 2.252 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccccc1CC[NH3+] ZINC000517243501 379351204 /nfs/dbraw/zinc/35/12/04/379351204.db2.gz OJHVHTHJLMIKGV-AWEZNQCLSA-N 2 1 291.439 2.038 20 0 CEADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000456392931 379422297 /nfs/dbraw/zinc/42/22/97/379422297.db2.gz XLOPXBNHYOHKLE-ZIAGYGMSSA-N 2 1 283.460 2.096 20 0 CEADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000456392931 379422311 /nfs/dbraw/zinc/42/23/11/379422311.db2.gz XLOPXBNHYOHKLE-ZIAGYGMSSA-N 2 1 283.460 2.096 20 0 CEADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000456392930 379423705 /nfs/dbraw/zinc/42/37/05/379423705.db2.gz XLOPXBNHYOHKLE-UONOGXRCSA-N 2 1 283.460 2.096 20 0 CEADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000456392930 379423706 /nfs/dbraw/zinc/42/37/06/379423706.db2.gz XLOPXBNHYOHKLE-UONOGXRCSA-N 2 1 283.460 2.096 20 0 CEADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000303228040 379489259 /nfs/dbraw/zinc/48/92/59/379489259.db2.gz RBELLAFNMSJDGY-WMZOPIPTSA-N 2 1 288.435 2.356 20 0 CEADMP C[C@H](CNC(=O)C[N@H+]1CCC(C)(C)C1)[NH+]1CCCC[C@H]1C ZINC000521641852 379537391 /nfs/dbraw/zinc/53/73/91/379537391.db2.gz WRDRLKYKKLRYSC-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](CNC(=O)C[NH+]1CCC(C)(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000521641852 379537399 /nfs/dbraw/zinc/53/73/99/379537399.db2.gz WRDRLKYKKLRYSC-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](CNC(=O)C[NH+]1CCC(C)(C)C1)[N@H+]1CCCC[C@H]1C ZINC000521641852 379537406 /nfs/dbraw/zinc/53/74/06/379537406.db2.gz WRDRLKYKKLRYSC-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000521266909 379525436 /nfs/dbraw/zinc/52/54/36/379525436.db2.gz IZEPAFYVNUOIPF-NVXWUHKLSA-N 2 1 278.440 2.170 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000521266909 379525441 /nfs/dbraw/zinc/52/54/41/379525441.db2.gz IZEPAFYVNUOIPF-NVXWUHKLSA-N 2 1 278.440 2.170 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000521266909 379525446 /nfs/dbraw/zinc/52/54/46/379525446.db2.gz IZEPAFYVNUOIPF-NVXWUHKLSA-N 2 1 278.440 2.170 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000521266909 379525453 /nfs/dbraw/zinc/52/54/53/379525453.db2.gz IZEPAFYVNUOIPF-NVXWUHKLSA-N 2 1 278.440 2.170 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOCC2CC2)CC1 ZINC000525126966 379648193 /nfs/dbraw/zinc/64/81/93/379648193.db2.gz ZOHMRYHRGIPXEX-UHFFFAOYSA-N 2 1 268.445 2.465 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000267303601 190319897 /nfs/dbraw/zinc/31/98/97/190319897.db2.gz VFTCJEPDQKUAKO-QWRGUYRKSA-N 2 1 259.357 2.243 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000527227262 379736410 /nfs/dbraw/zinc/73/64/10/379736410.db2.gz DRQLGWWVEGPBES-QLFBSQMISA-N 2 1 254.418 2.123 20 0 CEADMP O[C@@H](C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(F)cc1 ZINC000267465779 190332376 /nfs/dbraw/zinc/33/23/76/190332376.db2.gz WHMCOXPVLHYRCP-HIFRSBDPSA-N 2 1 289.354 2.462 20 0 CEADMP Cn1c[nH+]cc1CCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000347753918 218346498 /nfs/dbraw/zinc/34/64/98/218346498.db2.gz VTKKCMFIWOSJHJ-UHFFFAOYSA-N 2 1 278.444 2.016 20 0 CEADMP COC(=O)c1occc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000267432954 190329884 /nfs/dbraw/zinc/32/98/84/190329884.db2.gz MZEVQOPEFPUNQO-LBPRGKRZSA-N 2 1 289.335 2.169 20 0 CEADMP COC(=O)c1occc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000267432954 190329885 /nfs/dbraw/zinc/32/98/85/190329885.db2.gz MZEVQOPEFPUNQO-LBPRGKRZSA-N 2 1 289.335 2.169 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000527926335 379847844 /nfs/dbraw/zinc/84/78/44/379847844.db2.gz MFGVYGZJVHCVEI-KFWWJZLASA-N 2 1 266.429 2.123 20 0 CEADMP Cn1cc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2n1 ZINC000527964909 379859922 /nfs/dbraw/zinc/85/99/22/379859922.db2.gz VNYNJOHCLSIUTP-UHFFFAOYSA-N 2 1 284.407 2.290 20 0 CEADMP C[C@@H](C(=O)NCC[C@H]1CCC[NH+](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000458181776 380033061 /nfs/dbraw/zinc/03/30/61/380033061.db2.gz ZXMFPDWJIKRAFT-XUWVNRHRSA-N 2 1 295.471 2.096 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(C)c1OC ZINC000347860590 218381716 /nfs/dbraw/zinc/38/17/16/218381716.db2.gz HOANGSGGSJMQPF-AWEZNQCLSA-N 2 1 292.423 2.396 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(C)c1OC ZINC000347860590 218381719 /nfs/dbraw/zinc/38/17/19/218381719.db2.gz HOANGSGGSJMQPF-AWEZNQCLSA-N 2 1 292.423 2.396 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000334320967 380271129 /nfs/dbraw/zinc/27/11/29/380271129.db2.gz HJBTXOQPLQDZEK-AGVGLQIMSA-N 2 1 250.308 2.257 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1scnc1C1CC1 ZINC000580341922 322312304 /nfs/dbraw/zinc/31/23/04/322312304.db2.gz NPGCBGHYKUVFSS-GXSJLCMTSA-N 2 1 251.399 2.332 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1scnc1C1CC1 ZINC000580341922 322312305 /nfs/dbraw/zinc/31/23/05/322312305.db2.gz NPGCBGHYKUVFSS-GXSJLCMTSA-N 2 1 251.399 2.332 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000334320967 380271123 /nfs/dbraw/zinc/27/11/23/380271123.db2.gz HJBTXOQPLQDZEK-AGVGLQIMSA-N 2 1 250.308 2.257 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C[C@@]2(O)CCN(C)C2)c2ccsc2S1 ZINC000545868674 380392457 /nfs/dbraw/zinc/39/24/57/380392457.db2.gz XZGABSXIXNCVBY-SUHUHFCYSA-N 2 1 298.477 2.330 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccsc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000334481030 380473691 /nfs/dbraw/zinc/47/36/91/380473691.db2.gz UYNBPQCNCLOJRO-HOCLYGCPSA-N 2 1 293.480 2.206 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccsc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000334481030 380473694 /nfs/dbraw/zinc/47/36/94/380473694.db2.gz UYNBPQCNCLOJRO-HOCLYGCPSA-N 2 1 293.480 2.206 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089139423 296311251 /nfs/dbraw/zinc/31/12/51/296311251.db2.gz IZBPSZULXLMYPY-BZUAXINKSA-N 2 1 267.461 2.358 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089139423 296311252 /nfs/dbraw/zinc/31/12/52/296311252.db2.gz IZBPSZULXLMYPY-BZUAXINKSA-N 3 1 267.461 2.358 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089139423 296311253 /nfs/dbraw/zinc/31/12/53/296311253.db2.gz IZBPSZULXLMYPY-BZUAXINKSA-N 3 1 267.461 2.358 20 0 CEADMP C[N@H+]1CCC[C@@H]2CN(CCc3cscn3)CC[C@H]21 ZINC000334577635 380627030 /nfs/dbraw/zinc/62/70/30/380627030.db2.gz SDMNAKCKJAZQCH-TZMCWYRMSA-N 2 1 265.426 2.102 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3cscn3)CC[C@H]21 ZINC000334577635 380627038 /nfs/dbraw/zinc/62/70/38/380627038.db2.gz SDMNAKCKJAZQCH-TZMCWYRMSA-N 2 1 265.426 2.102 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3cscn3)CC[C@H]21 ZINC000334577635 380627039 /nfs/dbraw/zinc/62/70/39/380627039.db2.gz SDMNAKCKJAZQCH-TZMCWYRMSA-N 2 1 265.426 2.102 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3cscn3)CC[C@H]21 ZINC000334577635 380627045 /nfs/dbraw/zinc/62/70/45/380627045.db2.gz SDMNAKCKJAZQCH-TZMCWYRMSA-N 2 1 265.426 2.102 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cscn3)CC[C@H]21 ZINC000334577635 380627049 /nfs/dbraw/zinc/62/70/49/380627049.db2.gz SDMNAKCKJAZQCH-TZMCWYRMSA-N 2 1 265.426 2.102 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000554071753 380757472 /nfs/dbraw/zinc/75/74/72/380757472.db2.gz ODEURDZKACOETP-LSDHHAIUSA-N 2 1 299.422 2.260 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CCCC[NH+](C)C ZINC000552874599 380715833 /nfs/dbraw/zinc/71/58/33/380715833.db2.gz UOVYPTGUVNINLP-GASCZTMLSA-N 2 1 283.460 2.097 20 0 CEADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000553530400 380741798 /nfs/dbraw/zinc/74/17/98/380741798.db2.gz OQFYKGIHMQTHRG-UHFFFAOYSA-N 2 1 297.487 2.155 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2cccc3c2NCC3)C[C@@H]1C[NH3+] ZINC000334822929 207140756 /nfs/dbraw/zinc/14/07/56/207140756.db2.gz ZDZSQPHPNIVXHZ-DOMZBBRYSA-N 2 1 259.397 2.071 20 0 CEADMP CO[C@@](C)([C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000411967872 533004089 /nfs/dbraw/zinc/00/40/89/533004089.db2.gz IWBBKXVGXJQCRO-YUELXQCFSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCO)CC1 ZINC000281065432 195089052 /nfs/dbraw/zinc/08/90/52/195089052.db2.gz SINMOKDTRBIRCU-UHFFFAOYSA-N 2 1 276.424 2.402 20 0 CEADMP Cc1cc(N)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000335365179 208282338 /nfs/dbraw/zinc/28/23/38/208282338.db2.gz ZBUMPJBIGGZFBX-CVEARBPZSA-N 2 1 259.397 2.294 20 0 CEADMP OC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000386154814 542368828 /nfs/dbraw/zinc/36/88/28/542368828.db2.gz JMGJLCCZVRRRJM-OAGGEKHMSA-N 2 1 266.429 2.144 20 0 CEADMP Cc1cccc(CCC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000353853880 220367823 /nfs/dbraw/zinc/36/78/23/220367823.db2.gz GTCBCZYDLBWVEQ-CJNGLKHVSA-N 2 1 261.413 2.252 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@](C)(OC)C2CC2)CC1 ZINC000414236020 285191766 /nfs/dbraw/zinc/19/17/66/285191766.db2.gz VFHWBVQLHLABBY-IUODEOHRSA-N 2 1 254.418 2.264 20 0 CEADMP OC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000336605167 285237701 /nfs/dbraw/zinc/23/77/01/285237701.db2.gz ZDLCNYGLYGFNGG-GOEBONIOSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCC1 ZINC000336605167 285237703 /nfs/dbraw/zinc/23/77/03/285237703.db2.gz ZDLCNYGLYGFNGG-GOEBONIOSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCC1 ZINC000336605167 285237705 /nfs/dbraw/zinc/23/77/05/285237705.db2.gz ZDLCNYGLYGFNGG-GOEBONIOSA-N 2 1 278.440 2.240 20 0 CEADMP OC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCCCC1 ZINC000311711862 285238566 /nfs/dbraw/zinc/23/85/66/285238566.db2.gz NSURVDXQHLMULF-UHFFFAOYSA-N 2 1 266.429 2.288 20 0 CEADMP OC1CC[NH+](CCC[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000151353898 285245331 /nfs/dbraw/zinc/24/53/31/285245331.db2.gz UDOGGGFTAWNHTR-KRWDZBQOSA-N 2 1 292.398 2.249 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)CC[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000336799563 285396073 /nfs/dbraw/zinc/39/60/73/285396073.db2.gz JBIYUCQJBRXTQH-XHSDSOJGSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CC[C@H](N(C)CC[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000336799563 285396074 /nfs/dbraw/zinc/39/60/74/285396074.db2.gz JBIYUCQJBRXTQH-XHSDSOJGSA-N 2 1 267.461 2.275 20 0 CEADMP CC[NH+]1CC[C@H](N(C)CC[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000336799563 285396075 /nfs/dbraw/zinc/39/60/75/285396075.db2.gz JBIYUCQJBRXTQH-XHSDSOJGSA-N 2 1 267.461 2.275 20 0 CEADMP C(COCC1CCCC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000313252942 533366779 /nfs/dbraw/zinc/36/67/79/533366779.db2.gz MBTTWXPAFCROPN-UHFFFAOYSA-N 2 1 266.429 2.410 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000305107961 394492762 /nfs/dbraw/zinc/49/27/62/394492762.db2.gz BVTPISIVTXHMSQ-ILXRZTDVSA-N 2 1 256.434 2.103 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC2(O)CCC2)[C@H](C)C1 ZINC000421373300 394516046 /nfs/dbraw/zinc/51/60/46/394516046.db2.gz DWTZNTROTACRBB-ZIAGYGMSSA-N 2 1 254.418 2.002 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCOC1 ZINC000305251281 394505759 /nfs/dbraw/zinc/50/57/59/394505759.db2.gz WYOFVMZCMLWWFW-TUVASFSCSA-N 2 1 252.402 2.018 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC000356648786 394581216 /nfs/dbraw/zinc/58/12/16/394581216.db2.gz PZTXMDJWBANWRR-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000356648786 394581220 /nfs/dbraw/zinc/58/12/20/394581220.db2.gz PZTXMDJWBANWRR-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000356648786 394581225 /nfs/dbraw/zinc/58/12/25/394581225.db2.gz PZTXMDJWBANWRR-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCC(C)(C)OCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000308542950 394527766 /nfs/dbraw/zinc/52/77/66/394527766.db2.gz LWBGSYKOEHKQKV-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1C ZINC000312034271 394539609 /nfs/dbraw/zinc/53/96/09/394539609.db2.gz YOMJYJHMLIYFHC-CZUORRHYSA-N 2 1 262.397 2.420 20 0 CEADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000356129504 394546142 /nfs/dbraw/zinc/54/61/42/394546142.db2.gz CGLCRIWYZLWAQN-CQSZACIVSA-N 2 1 299.422 2.073 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c[nH]c3nccnc23)C1 ZINC000356129504 394546144 /nfs/dbraw/zinc/54/61/44/394546144.db2.gz CGLCRIWYZLWAQN-CQSZACIVSA-N 2 1 299.422 2.073 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2c[nH]c3nccnc23)C1 ZINC000356129504 394546148 /nfs/dbraw/zinc/54/61/48/394546148.db2.gz CGLCRIWYZLWAQN-CQSZACIVSA-N 2 1 299.422 2.073 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2c[nH]c3nccnc23)C1 ZINC000356129504 394546150 /nfs/dbraw/zinc/54/61/50/394546150.db2.gz CGLCRIWYZLWAQN-CQSZACIVSA-N 2 1 299.422 2.073 20 0 CEADMP CC(C)n1cncc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000090209224 394654936 /nfs/dbraw/zinc/65/49/36/394654936.db2.gz WVBWQMWJWFFATO-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP COc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257694479 394596338 /nfs/dbraw/zinc/59/63/38/394596338.db2.gz OJGQEKCYRYCIOL-MRXNPFEDSA-N 2 1 260.381 2.271 20 0 CEADMP COc1ccccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257694479 394596339 /nfs/dbraw/zinc/59/63/39/394596339.db2.gz OJGQEKCYRYCIOL-MRXNPFEDSA-N 2 1 260.381 2.271 20 0 CEADMP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261646670 394605097 /nfs/dbraw/zinc/60/50/97/394605097.db2.gz DRIGGBJXJKGYDO-KOLCDFICSA-N 2 1 250.308 2.259 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C)C2(OC)CCCCC2)CC1 ZINC000421822366 394605901 /nfs/dbraw/zinc/60/59/01/394605901.db2.gz AIRPJBGQYYYCJO-OAHLLOKOSA-N 2 1 298.471 2.425 20 0 CEADMP CCCC[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000093464825 394667283 /nfs/dbraw/zinc/66/72/83/394667283.db2.gz XHRKQNWHQIJSDG-HOCLYGCPSA-N 3 1 267.461 2.371 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000356817424 394621665 /nfs/dbraw/zinc/62/16/65/394621665.db2.gz SAJWPBWHPOHJKI-AWEZNQCLSA-N 2 1 291.439 2.207 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421872242 394623208 /nfs/dbraw/zinc/62/32/08/394623208.db2.gz GPFNOTAOQAVNCK-BKAAIYKLSA-N 3 1 267.461 2.178 20 0 CEADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421872242 394623212 /nfs/dbraw/zinc/62/32/12/394623212.db2.gz GPFNOTAOQAVNCK-BKAAIYKLSA-N 2 1 267.461 2.178 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421890510 394628817 /nfs/dbraw/zinc/62/88/17/394628817.db2.gz VKCJQSGMKIGXFZ-HZSPNIEDSA-N 2 1 268.470 2.450 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H]1CCCOCC1)[NH+]1CCCC1 ZINC000086870165 394644591 /nfs/dbraw/zinc/64/45/91/394644591.db2.gz LAHJMPUPXAJMOR-LSDHHAIUSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000356896859 394645369 /nfs/dbraw/zinc/64/53/69/394645369.db2.gz ZEQBPDAISONACX-JKSUJKDBSA-N 2 1 297.487 2.440 20 0 CEADMP CC(C)[NH+]1CCC(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000088163745 394645502 /nfs/dbraw/zinc/64/55/02/394645502.db2.gz KAKGQSCEJITUHL-ALOPSCKCSA-N 2 1 279.472 2.464 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000088413689 394645938 /nfs/dbraw/zinc/64/59/38/394645938.db2.gz URZDQZGPJOQMDZ-AWEZNQCLSA-N 2 1 278.396 2.005 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000088413689 394645941 /nfs/dbraw/zinc/64/59/41/394645941.db2.gz URZDQZGPJOQMDZ-AWEZNQCLSA-N 2 1 278.396 2.005 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CCN4CCC4)[C@@H]3C2)cc1 ZINC000356911340 394650186 /nfs/dbraw/zinc/65/01/86/394650186.db2.gz ZMVWNINEDOGRRN-IPMKNSEASA-N 2 1 299.462 2.192 20 0 CEADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414683584 394748534 /nfs/dbraw/zinc/74/85/34/394748534.db2.gz BNSXTOZEKMUWHH-XHSDSOJGSA-N 2 1 297.487 2.377 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@H]1[NH3+] ZINC000422736511 394748576 /nfs/dbraw/zinc/74/85/76/394748576.db2.gz GKRUEDLEKREKNH-KFWWJZLASA-N 2 1 253.434 2.110 20 0 CEADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000422711542 394732796 /nfs/dbraw/zinc/73/27/96/394732796.db2.gz NHQDAQWXAWRXMY-NUEKZKHPSA-N 2 1 279.403 2.145 20 0 CEADMP C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000422710263 394733211 /nfs/dbraw/zinc/73/32/11/394733211.db2.gz FNFJKMBGSDGZIF-UMVBOHGHSA-N 2 1 293.480 2.225 20 0 CEADMP C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000422710263 394733213 /nfs/dbraw/zinc/73/32/13/394733213.db2.gz FNFJKMBGSDGZIF-UMVBOHGHSA-N 2 1 293.480 2.225 20 0 CEADMP C[C@@H](NC[C@H](C)[N@@H+]1CCc2sccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422710258 394733234 /nfs/dbraw/zinc/73/32/34/394733234.db2.gz FNFJKMBGSDGZIF-GUTXKFCHSA-N 2 1 293.480 2.225 20 0 CEADMP C[C@@H](NC[C@H](C)[N@H+]1CCc2sccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422710258 394733235 /nfs/dbraw/zinc/73/32/35/394733235.db2.gz FNFJKMBGSDGZIF-GUTXKFCHSA-N 2 1 293.480 2.225 20 0 CEADMP CCC[NH+](CCC)CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422712349 394733836 /nfs/dbraw/zinc/73/38/36/394733836.db2.gz OAKSMUHQJIXSAX-CVEARBPZSA-N 3 1 269.477 2.476 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@](C)(OC)C2CC2)CC1 ZINC000414236022 394736767 /nfs/dbraw/zinc/73/67/67/394736767.db2.gz VFHWBVQLHLABBY-SWLSCSKDSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)[C@H](C)O1 ZINC000414273999 394741219 /nfs/dbraw/zinc/74/12/19/394741219.db2.gz ZXLJGYAZNGJXEE-JXEZDRHFSA-N 2 1 266.429 2.262 20 0 CEADMP CC[C@@H](C[NH2+][C@@H](C)Cc1ccc(OC)nc1)[NH+]1CCCC1 ZINC000414058081 394688217 /nfs/dbraw/zinc/68/82/17/394688217.db2.gz GUTKPCOKZZMKJA-HOCLYGCPSA-N 2 1 291.439 2.485 20 0 CEADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCOCC[NH3+] ZINC000357036318 394689122 /nfs/dbraw/zinc/68/91/22/394689122.db2.gz XHFXMWSODGMREF-LBPRGKRZSA-N 2 1 262.353 2.401 20 0 CEADMP CC(C)C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358259156 394713968 /nfs/dbraw/zinc/71/39/68/394713968.db2.gz UNSAJKXOMKZTLH-SJORKVTESA-N 2 1 276.424 2.430 20 0 CEADMP CC(C)C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358259156 394713972 /nfs/dbraw/zinc/71/39/72/394713972.db2.gz UNSAJKXOMKZTLH-SJORKVTESA-N 2 1 276.424 2.430 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000422735100 394747272 /nfs/dbraw/zinc/74/72/72/394747272.db2.gz VISUZFGZZFJRQQ-RISCZKNCSA-N 2 1 252.789 2.470 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCc3ccc(O)cc3C2)CC[NH2+]1 ZINC000334848181 394715672 /nfs/dbraw/zinc/71/56/72/394715672.db2.gz OSRCJDOAIYRNSO-CHWSQXEVSA-N 2 1 260.381 2.138 20 0 CEADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000334864469 394716400 /nfs/dbraw/zinc/71/64/00/394716400.db2.gz PRORTAGRYYRIJD-CGZBRXJRSA-N 3 1 279.472 2.371 20 0 CEADMP CC1CC[NH+](C2CCC(N[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000334864469 394716401 /nfs/dbraw/zinc/71/64/01/394716401.db2.gz PRORTAGRYYRIJD-CGZBRXJRSA-N 2 1 279.472 2.371 20 0 CEADMP COc1ccc2c(c1)C[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000334871927 394716992 /nfs/dbraw/zinc/71/69/92/394716992.db2.gz CKYLTXBORYUWDA-UONOGXRCSA-N 2 1 274.408 2.441 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422735238 394747598 /nfs/dbraw/zinc/74/75/98/394747598.db2.gz DQJSXBZGXLTNNP-BZUAXINKSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422704509 394728960 /nfs/dbraw/zinc/72/89/60/394728960.db2.gz PVJLKATVCBCVNK-DOMZBBRYSA-N 2 1 272.396 2.083 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000422704008 394729109 /nfs/dbraw/zinc/72/91/09/394729109.db2.gz OLFOOKWYRCJDBF-BPLDGKMQSA-N 2 1 254.418 2.048 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422744204 394754264 /nfs/dbraw/zinc/75/42/64/394754264.db2.gz SONSBYDEAWTTII-OAGGEKHMSA-N 2 1 267.461 2.356 20 0 CEADMP c1nc([C@@H]2CCCO2)sc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414824981 394754876 /nfs/dbraw/zinc/75/48/76/394754876.db2.gz GLGFGZFTFPFLAH-AAEUAGOBSA-N 2 1 281.425 2.084 20 0 CEADMP C[N@@H+](CCN[C@H]1CCCCC[C@@H]1[NH3+])C1CCCC1 ZINC000422746771 394755450 /nfs/dbraw/zinc/75/54/50/394755450.db2.gz XINXMNUWTJFSBE-GJZGRUSLSA-N 2 1 253.434 2.110 20 0 CEADMP COc1ccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422746052 394755700 /nfs/dbraw/zinc/75/57/00/394755700.db2.gz YVLYIDUHAPBNDG-XJKSGUPXSA-N 2 1 262.397 2.215 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422746973 394756348 /nfs/dbraw/zinc/75/63/48/394756348.db2.gz XUJVBNRKVWUCGL-PCKAHOCUSA-N 3 1 267.461 2.214 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1c(F)cccc1F ZINC000422749056 394757416 /nfs/dbraw/zinc/75/74/16/394757416.db2.gz XIPAHQJXRJVDTC-MGPQQGTHSA-N 2 1 283.366 2.037 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1cccs1)[NH+](C)C ZINC000422750824 394758553 /nfs/dbraw/zinc/75/85/53/394758553.db2.gz BUUBREZOTLQZPE-MCIONIFRSA-N 2 1 281.469 2.329 20 0 CEADMP CC[C@@H]([NH2+]CCOc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000422757015 394762870 /nfs/dbraw/zinc/76/28/70/394762870.db2.gz MIDWPRHKROLJMC-KGLIPLIRSA-N 2 1 266.360 2.325 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414839480 394763378 /nfs/dbraw/zinc/76/33/78/394763378.db2.gz XOHVMUNZFANYHZ-ZLMZNLFFSA-N 2 1 299.462 2.380 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414839480 394763381 /nfs/dbraw/zinc/76/33/81/394763381.db2.gz XOHVMUNZFANYHZ-ZLMZNLFFSA-N 2 1 299.462 2.380 20 0 CEADMP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414839087 394763530 /nfs/dbraw/zinc/76/35/30/394763530.db2.gz FRWAKMDOVCGKJA-HZPDHXFCSA-N 2 1 280.387 2.115 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422772043 394773358 /nfs/dbraw/zinc/77/33/58/394773358.db2.gz YADUQQAEDTUROF-QXSJWSMHSA-N 2 1 281.488 2.331 20 0 CEADMP C[C@H]([NH2+]CCOC1CCCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422772581 394774480 /nfs/dbraw/zinc/77/44/80/394774480.db2.gz ZLGTZZMQFIURAE-ZFWWWQNUSA-N 2 1 254.418 2.456 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000422840996 394823448 /nfs/dbraw/zinc/82/34/48/394823448.db2.gz UZHXNLZXCHMTQN-ZBFHGGJFSA-N 3 1 267.461 2.229 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000422775668 394775242 /nfs/dbraw/zinc/77/52/42/394775242.db2.gz BBLDLFZKJPBIIN-XDQVBPFNSA-N 2 1 252.402 2.064 20 0 CEADMP C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414862725 394776912 /nfs/dbraw/zinc/77/69/12/394776912.db2.gz HNZCQUVSYYJYQD-DOMZBBRYSA-N 2 1 250.361 2.488 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H]2CCCCN2)CC1 ZINC000422779285 394778727 /nfs/dbraw/zinc/77/87/27/394778727.db2.gz FSMSAEZPMAHZOW-HOCLYGCPSA-N 2 1 267.461 2.229 20 0 CEADMP CCC[NH2+]CCN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000414872855 394782022 /nfs/dbraw/zinc/78/20/22/394782022.db2.gz QJTZNUPDQCSLDC-RDJZCZTQSA-N 2 1 275.440 2.411 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422784211 394783171 /nfs/dbraw/zinc/78/31/71/394783171.db2.gz NSNNRNZXQWNHOM-GJZGRUSLSA-N 3 1 264.417 2.079 20 0 CEADMP C[C@@H](CC1CCOCC1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414880073 394785886 /nfs/dbraw/zinc/78/58/86/394785886.db2.gz PRXVXPLTMJLCGB-HNNXBMFYSA-N 2 1 291.439 2.356 20 0 CEADMP CCN(CCC[NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422787857 394785973 /nfs/dbraw/zinc/78/59/73/394785973.db2.gz QPTNLUUQWNDRSD-WBVHZDCISA-N 2 1 275.440 2.491 20 0 CEADMP Cc1cccc(O[C@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422790609 394787678 /nfs/dbraw/zinc/78/76/78/394787678.db2.gz PLRDBVZPTRMQRL-IJEWVQPXSA-N 2 1 262.397 2.492 20 0 CEADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC2([NH3+])CCC2)C1 ZINC000414884041 394788259 /nfs/dbraw/zinc/78/82/59/394788259.db2.gz VKLOJISFRAHVKQ-HOCLYGCPSA-N 2 1 273.424 2.293 20 0 CEADMP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000414884041 394788265 /nfs/dbraw/zinc/78/82/65/394788265.db2.gz VKLOJISFRAHVKQ-HOCLYGCPSA-N 2 1 273.424 2.293 20 0 CEADMP COc1ccc(C[NH2+]C[C@H](C)C[NH3+])c(Cl)c1OC ZINC000414887741 394788720 /nfs/dbraw/zinc/78/87/20/394788720.db2.gz ZJMLYPBFHSTABP-SECBINFHSA-N 2 1 272.776 2.042 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C)CC[NH3+])c(Cl)c1OC ZINC000414886322 394789544 /nfs/dbraw/zinc/78/95/44/394789544.db2.gz PJGVQTSUFGLWEM-VIFPVBQESA-N 2 1 272.776 2.184 20 0 CEADMP [NH3+]C1(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000414886431 394789550 /nfs/dbraw/zinc/78/95/50/394789550.db2.gz YDSYRVYPRPFNKP-FGTMMUONSA-N 2 1 299.462 2.368 20 0 CEADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422791778 394789653 /nfs/dbraw/zinc/78/96/53/394789653.db2.gz DEYRROFDKLVGCO-CABCVRRESA-N 2 1 275.396 2.251 20 0 CEADMP C[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1C[NH2+]C1 ZINC000422842343 394824310 /nfs/dbraw/zinc/82/43/10/394824310.db2.gz YFAURSLJIUIZNR-ZIAGYGMSSA-N 2 1 293.480 2.158 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)C1C[NH2+]C1 ZINC000422842343 394824312 /nfs/dbraw/zinc/82/43/12/394824312.db2.gz YFAURSLJIUIZNR-ZIAGYGMSSA-N 2 1 293.480 2.158 20 0 CEADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[NH3+])N(C)C)cc1 ZINC000422792503 394790317 /nfs/dbraw/zinc/79/03/17/394790317.db2.gz XCPZNZGKUGEZEY-OAGGEKHMSA-N 2 1 261.413 2.067 20 0 CEADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+](CC)CC ZINC000360121705 394790366 /nfs/dbraw/zinc/79/03/66/394790366.db2.gz ASAUCUIENSIWGL-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]([NH3+])C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000414895590 394793338 /nfs/dbraw/zinc/79/33/38/394793338.db2.gz YAIZFUXDNHEHBA-JLSDUUJJSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@]1(C[NH2+]Cc2ccc(F)c(F)c2)CCC[NH2+]C1 ZINC000414899100 394794374 /nfs/dbraw/zinc/79/43/74/394794374.db2.gz GWDPZODEZBRAFJ-AWEZNQCLSA-N 2 1 254.324 2.444 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000121215729 394794481 /nfs/dbraw/zinc/79/44/81/394794481.db2.gz LLFWYWANOYOUAB-QGZVFWFLSA-N 2 1 298.434 2.363 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000121215729 394794484 /nfs/dbraw/zinc/79/44/84/394794484.db2.gz LLFWYWANOYOUAB-QGZVFWFLSA-N 2 1 298.434 2.363 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000422808469 394802072 /nfs/dbraw/zinc/80/20/72/394802072.db2.gz QLBIYFSPSYEPJM-ZBFHGGJFSA-N 2 1 273.424 2.027 20 0 CEADMP COc1cc(OC)c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000414925797 394806413 /nfs/dbraw/zinc/80/64/13/394806413.db2.gz MGJAQRFRADVUSK-NEPJUHHUSA-N 2 1 294.395 2.072 20 0 CEADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000414926030 394806501 /nfs/dbraw/zinc/80/65/01/394806501.db2.gz JQHXSRMZIUZMPV-GHMZBOCLSA-N 2 1 283.803 2.302 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000422815657 394807782 /nfs/dbraw/zinc/80/77/82/394807782.db2.gz CEBAZAGMFNSJMC-XJKSGUPXSA-N 2 1 269.392 2.365 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000360987472 394811391 /nfs/dbraw/zinc/81/13/91/394811391.db2.gz PZDIBTNHCUMQLB-IXDOHACOSA-N 2 1 298.471 2.140 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)Cc1ccccc1OC ZINC000414937092 394812259 /nfs/dbraw/zinc/81/22/59/394812259.db2.gz CFCZLGYYRBKTDC-QWHCGFSZSA-N 2 1 250.386 2.214 20 0 CEADMP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)n1 ZINC000414939135 394813334 /nfs/dbraw/zinc/81/33/34/394813334.db2.gz ZBWJIPGVWLPWEV-UKRRQHHQSA-N 2 1 291.439 2.389 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414941465 394814261 /nfs/dbraw/zinc/81/42/61/394814261.db2.gz CQTFNGDPAHUBCY-SWLSCSKDSA-N 2 1 299.422 2.114 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccnc1 ZINC000422834766 394818950 /nfs/dbraw/zinc/81/89/50/394818950.db2.gz OEQXNWNMHCXEOO-KBMXLJTQSA-N 2 1 261.413 2.409 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cn3c(n2)CCCC3)CC[NH2+]1 ZINC000414751391 394750462 /nfs/dbraw/zinc/75/04/62/394750462.db2.gz AJZWETQXEOVYPW-KGLIPLIRSA-N 2 1 276.428 2.039 20 0 CEADMP CCc1oc2ccccc2c1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415047194 394862812 /nfs/dbraw/zinc/86/28/12/394862812.db2.gz VPHUSAMKZJAAKP-CYBMUJFWSA-N 2 1 288.391 2.463 20 0 CEADMP c1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cs1 ZINC000415050673 394864824 /nfs/dbraw/zinc/86/48/24/394864824.db2.gz JAPBSFKZLFRBLH-UHFFFAOYSA-N 2 1 279.453 2.054 20 0 CEADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c(F)c1 ZINC000422928445 394865653 /nfs/dbraw/zinc/86/56/53/394865653.db2.gz KPOUKJTYTNVVGP-ABAIWWIYSA-N 2 1 266.360 2.312 20 0 CEADMP CCC[C@H](C)C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415061591 394869390 /nfs/dbraw/zinc/86/93/90/394869390.db2.gz YSOPIDPZFXWWRB-FHERZECASA-N 2 1 267.461 2.229 20 0 CEADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000415061488 394869703 /nfs/dbraw/zinc/86/97/03/394869703.db2.gz YFHCGHMROGYMQM-HNNXBMFYSA-N 2 1 272.396 2.335 20 0 CEADMP CCC(CC)C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415061553 394869874 /nfs/dbraw/zinc/86/98/74/394869874.db2.gz YLOGTTCXMUEMIM-UHFFFAOYSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H]1C[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000129758229 394872746 /nfs/dbraw/zinc/87/27/46/394872746.db2.gz QQUUCFGPNHCADR-CHWSQXEVSA-N 2 1 267.461 2.368 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCN1C ZINC000129758229 394872747 /nfs/dbraw/zinc/87/27/47/394872747.db2.gz QQUUCFGPNHCADR-CHWSQXEVSA-N 2 1 267.461 2.368 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422992746 394877096 /nfs/dbraw/zinc/87/70/96/394877096.db2.gz DJJYZYNLZVVDHY-OWCLPIDISA-N 2 1 267.461 2.085 20 0 CEADMP CCOc1cccc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422993557 394877525 /nfs/dbraw/zinc/87/75/25/394877525.db2.gz GACOAWWZPMIKCF-CZUORRHYSA-N 2 1 262.397 2.215 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000414961168 394827457 /nfs/dbraw/zinc/82/74/57/394827457.db2.gz RPVJWORAWSUKKY-RISCZKNCSA-N 2 1 271.364 2.028 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422853923 394830984 /nfs/dbraw/zinc/83/09/84/394830984.db2.gz ZMCZPDICFHGLCK-KBPBESRZSA-N 2 1 285.501 2.063 20 0 CEADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000414974336 394832904 /nfs/dbraw/zinc/83/29/04/394832904.db2.gz JVSYEASCBMKAIQ-BZUAXINKSA-N 2 1 281.488 2.475 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414979405 394834655 /nfs/dbraw/zinc/83/46/55/394834655.db2.gz NYGFFOYMXYEUKI-HOCLYGCPSA-N 2 1 278.396 2.071 20 0 CEADMP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414979880 394835654 /nfs/dbraw/zinc/83/56/54/394835654.db2.gz VBNGTXIRAJUIQQ-HRCADAONSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000422868100 394839212 /nfs/dbraw/zinc/83/92/12/394839212.db2.gz UKUIMDXTHXARAG-KLHDSHLOSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422873627 394841947 /nfs/dbraw/zinc/84/19/47/394841947.db2.gz AUVGJBNNBKEKMW-KFWWJZLASA-N 3 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCC[C@H]1N ZINC000422873627 394841953 /nfs/dbraw/zinc/84/19/53/394841953.db2.gz AUVGJBNNBKEKMW-KFWWJZLASA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@H]1N ZINC000422873627 394841956 /nfs/dbraw/zinc/84/19/56/394841956.db2.gz AUVGJBNNBKEKMW-KFWWJZLASA-N 2 1 253.434 2.110 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)[C@H](C)[NH3+] ZINC000415014775 394849467 /nfs/dbraw/zinc/84/94/67/394849467.db2.gz XLRXUIOQHOCAQN-UONOGXRCSA-N 2 1 285.391 2.486 20 0 CEADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](C)CCC[NH3+])sc2C1 ZINC000415019763 394851477 /nfs/dbraw/zinc/85/14/77/394851477.db2.gz ITENBVMJZCZPSG-LBPRGKRZSA-N 3 1 296.484 2.127 20 0 CEADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](C)CCC[NH3+])sc2C1 ZINC000415019763 394851481 /nfs/dbraw/zinc/85/14/81/394851481.db2.gz ITENBVMJZCZPSG-LBPRGKRZSA-N 3 1 296.484 2.127 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc12 ZINC000415032579 394855972 /nfs/dbraw/zinc/85/59/72/394855972.db2.gz HSHINLUSIRVCDB-QLPKVWCKSA-N 2 1 268.360 2.156 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000422906134 394857401 /nfs/dbraw/zinc/85/74/01/394857401.db2.gz JFQQJUVEBPQEPL-KKUMJFAQSA-N 2 1 263.429 2.222 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422906134 394857405 /nfs/dbraw/zinc/85/74/05/394857405.db2.gz JFQQJUVEBPQEPL-KKUMJFAQSA-N 2 1 263.429 2.222 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415035629 394857631 /nfs/dbraw/zinc/85/76/31/394857631.db2.gz DWRPAGYFTBPPOP-UKRRQHHQSA-N 2 1 290.407 2.365 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415035629 394857635 /nfs/dbraw/zinc/85/76/35/394857635.db2.gz DWRPAGYFTBPPOP-UKRRQHHQSA-N 2 1 290.407 2.365 20 0 CEADMP COc1cccc(OCCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422915318 394860967 /nfs/dbraw/zinc/86/09/67/394860967.db2.gz ATLXADZTELAZJR-XJKSGUPXSA-N 2 1 278.396 2.052 20 0 CEADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000423190656 394887337 /nfs/dbraw/zinc/88/73/37/394887337.db2.gz RHCHVWICFONPJV-JKSUJKDBSA-N 2 1 259.397 2.340 20 0 CEADMP COc1cc2c(cc1OC)[C@H]([NH2+]CC(C)(C)[NH3+])CC2 ZINC000423287829 394889064 /nfs/dbraw/zinc/88/90/64/394889064.db2.gz OTHYADIWFKWMOL-GFCCVEGCSA-N 2 1 264.369 2.018 20 0 CEADMP CCC[NH2+]CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000423311101 394890031 /nfs/dbraw/zinc/89/00/31/394890031.db2.gz PEHTZOQDVJKFAC-DLBZAZTESA-N 2 1 275.440 2.411 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423340931 394892184 /nfs/dbraw/zinc/89/21/84/394892184.db2.gz WAUYKLPGPMYWOJ-HOCLYGCPSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@H]1C[C@H](NCC[NH+](C)C2CCCC2)C[N@H+]1C1CC1 ZINC000130694200 394892876 /nfs/dbraw/zinc/89/28/76/394892876.db2.gz LRMBWURQMJHHOF-KBPBESRZSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]1C[C@H](NCC[N@H+](C)C2CCCC2)C[NH+]1C1CC1 ZINC000130694200 394892879 /nfs/dbraw/zinc/89/28/79/394892879.db2.gz LRMBWURQMJHHOF-KBPBESRZSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@H]1C[C@H](NCC[N@@H+](C)C2CCCC2)C[NH+]1C1CC1 ZINC000130694200 394892883 /nfs/dbraw/zinc/89/28/83/394892883.db2.gz LRMBWURQMJHHOF-KBPBESRZSA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]1C[C@H](N(C)Cc2nc3ccccc3[nH]2)CC[N@H+]1C ZINC000130663218 394892917 /nfs/dbraw/zinc/89/29/17/394892917.db2.gz QKCMOUSNHALERF-CHWSQXEVSA-N 2 1 272.396 2.477 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1F ZINC000423343218 394893338 /nfs/dbraw/zinc/89/33/38/394893338.db2.gz ZNZSRYLOAICTOC-JTQLQIEISA-N 2 1 252.333 2.366 20 0 CEADMP C[N@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423352526 394897776 /nfs/dbraw/zinc/89/77/76/394897776.db2.gz BJRZBWIYQUNPTL-ZACQAIPSSA-N 2 1 273.424 2.164 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423368317 394903725 /nfs/dbraw/zinc/90/37/25/394903725.db2.gz ZLXWJMJEOGFSQM-CGTJXYLNSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000423374498 394905747 /nfs/dbraw/zinc/90/57/47/394905747.db2.gz WZFQUSIPHGYRNP-KFWWJZLASA-N 2 1 295.471 2.001 20 0 CEADMP C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000364463431 394906329 /nfs/dbraw/zinc/90/63/29/394906329.db2.gz FIDKRCCRSADHHA-PMPSAXMXSA-N 2 1 295.471 2.003 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1OC ZINC000131491555 394912858 /nfs/dbraw/zinc/91/28/58/394912858.db2.gz HSYQVEGBOVICCT-DGCLKSJQSA-N 2 1 264.369 2.015 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1OC ZINC000131491555 394912860 /nfs/dbraw/zinc/91/28/60/394912860.db2.gz HSYQVEGBOVICCT-DGCLKSJQSA-N 2 1 264.369 2.015 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000423392251 394912848 /nfs/dbraw/zinc/91/28/48/394912848.db2.gz LOHICHXLUGJSKW-WKPIXPDZSA-N 2 1 263.360 2.259 20 0 CEADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cn1 ZINC000423397877 394914892 /nfs/dbraw/zinc/91/48/92/394914892.db2.gz VDBNLEFILFZHPU-DZGCQCFKSA-N 2 1 291.439 2.389 20 0 CEADMP COC[C@]1(C[NH2+][C@H]2C[C@H](OCC(C)C)C2(C)C)CCC[NH2+]1 ZINC000423423638 394918768 /nfs/dbraw/zinc/91/87/68/394918768.db2.gz ZZHRDABHWWAPIM-YQQAZPJKSA-N 2 1 298.471 2.184 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCCN1 ZINC000423461766 394926743 /nfs/dbraw/zinc/92/67/43/394926743.db2.gz CRILOCORIPEUNK-APIJFGDWSA-N 2 1 253.434 2.014 20 0 CEADMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C(C)C ZINC000423521035 394942415 /nfs/dbraw/zinc/94/24/15/394942415.db2.gz RWRRDMQSYPICNZ-GPANFISMSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)C1CCCCC1 ZINC000340487130 394986828 /nfs/dbraw/zinc/98/68/28/394986828.db2.gz YHXLGCIJLWYTIO-MUIFIZLQSA-N 2 1 282.472 2.494 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c2ccccc21 ZINC000154340344 395022219 /nfs/dbraw/zinc/02/22/19/395022219.db2.gz ROZVWXRGXIDFSW-WWGRRREGSA-N 2 1 262.397 2.137 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCOCC(F)(F)F)C2)C1 ZINC000339429329 394960241 /nfs/dbraw/zinc/96/02/41/394960241.db2.gz SNGXGZFSBZPLPX-ZDUSSCGKSA-N 2 1 294.361 2.373 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCOCC(F)(F)F)C2)C1 ZINC000339429329 394960242 /nfs/dbraw/zinc/96/02/42/394960242.db2.gz SNGXGZFSBZPLPX-ZDUSSCGKSA-N 2 1 294.361 2.373 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCOCC(F)(F)F)C2)C1 ZINC000339429329 394960245 /nfs/dbraw/zinc/96/02/45/394960245.db2.gz SNGXGZFSBZPLPX-ZDUSSCGKSA-N 2 1 294.361 2.373 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000423752634 394975764 /nfs/dbraw/zinc/97/57/64/394975764.db2.gz AYANTNROBAXLRQ-VGWMRTNUSA-N 2 1 295.471 2.144 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000423752927 394976424 /nfs/dbraw/zinc/97/64/24/394976424.db2.gz BDRBKYJQYUGLFU-WMLDXEAASA-N 2 1 291.439 2.097 20 0 CEADMP CC[N@@H+](CCNC(=O)Nc1cccc(C[NH2+]C)c1)C1CC1 ZINC000415914402 394976878 /nfs/dbraw/zinc/97/68/78/394976878.db2.gz AGRWUWBUZRODJR-UHFFFAOYSA-N 2 1 290.411 2.012 20 0 CEADMP Cn1cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340190824 394980162 /nfs/dbraw/zinc/98/01/62/394980162.db2.gz MCKKVPXQULBYNE-QZTJIDSGSA-N 2 1 298.434 2.388 20 0 CEADMP Cn1cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340190824 394980167 /nfs/dbraw/zinc/98/01/67/394980167.db2.gz MCKKVPXQULBYNE-QZTJIDSGSA-N 2 1 298.434 2.388 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000343997981 395047345 /nfs/dbraw/zinc/04/73/45/395047345.db2.gz BPIJLIGDYJVSPS-RRFJBIMHSA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000343997981 395047347 /nfs/dbraw/zinc/04/73/47/395047347.db2.gz BPIJLIGDYJVSPS-RRFJBIMHSA-N 2 1 267.461 2.322 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000343997981 395047348 /nfs/dbraw/zinc/04/73/48/395047348.db2.gz BPIJLIGDYJVSPS-RRFJBIMHSA-N 2 1 267.461 2.322 20 0 CEADMP Cc1c[nH+]ccc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000373028940 395052489 /nfs/dbraw/zinc/05/24/89/395052489.db2.gz LKOVDJNDPBGYAQ-OFQRWUPVSA-N 2 1 257.381 2.311 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCn2ccnc2C)C1 ZINC000162080977 395070577 /nfs/dbraw/zinc/07/05/77/395070577.db2.gz OGVMUWYDPOYKBU-INIZCTEOSA-N 3 1 278.444 2.245 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCn2ccnc2C)C1 ZINC000162080977 395070583 /nfs/dbraw/zinc/07/05/83/395070583.db2.gz OGVMUWYDPOYKBU-INIZCTEOSA-N 3 1 278.444 2.245 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCn2ccnc2C)C1 ZINC000162080977 395070587 /nfs/dbraw/zinc/07/05/87/395070587.db2.gz OGVMUWYDPOYKBU-INIZCTEOSA-N 3 1 278.444 2.245 20 0 CEADMP C[C@H]1CC[N@@H+](CCOCC2CC2)C[C@@H]1n1ccnc1 ZINC000163285966 395083214 /nfs/dbraw/zinc/08/32/14/395083214.db2.gz DBRFLPDXVADKCN-ZFWWWQNUSA-N 2 1 263.385 2.193 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cn(C)nc2C(C)(C)C)C[C@@H]1C[NH3+] ZINC000163404040 395083795 /nfs/dbraw/zinc/08/37/95/395083795.db2.gz NBJZCMONFHZJDF-STQMWFEESA-N 2 1 278.444 2.134 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CCCCC2)CC[N@H+]1C ZINC000165604220 395086451 /nfs/dbraw/zinc/08/64/51/395086451.db2.gz MJYXUMWSBAFDRA-CABCVRRESA-N 2 1 268.445 2.392 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc2c1OCC2 ZINC000427124514 395093307 /nfs/dbraw/zinc/09/33/07/395093307.db2.gz SIZXTIPNFHVNMX-SJORKVTESA-N 2 1 286.419 2.238 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cccc2c1OCCO2 ZINC000290298816 395098066 /nfs/dbraw/zinc/09/80/66/395098066.db2.gz BBEVHLHUKOIYIP-DZGCQCFKSA-N 2 1 290.407 2.230 20 0 CEADMP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc2c1OCCO2 ZINC000290298816 395098070 /nfs/dbraw/zinc/09/80/70/395098070.db2.gz BBEVHLHUKOIYIP-DZGCQCFKSA-N 2 1 290.407 2.230 20 0 CEADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cccc2c1OCCO2 ZINC000290298816 395098074 /nfs/dbraw/zinc/09/80/74/395098074.db2.gz BBEVHLHUKOIYIP-DZGCQCFKSA-N 2 1 290.407 2.230 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000346997828 395116515 /nfs/dbraw/zinc/11/65/15/395116515.db2.gz XXXYCBLBCWGOFO-MGPQQGTHSA-N 2 1 254.443 2.346 20 0 CEADMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000346997828 395116518 /nfs/dbraw/zinc/11/65/18/395116518.db2.gz XXXYCBLBCWGOFO-MGPQQGTHSA-N 2 1 254.443 2.346 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC000427484269 395116824 /nfs/dbraw/zinc/11/68/24/395116824.db2.gz PKKCGOFUKMCYFR-CQSZACIVSA-N 2 1 291.439 2.207 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494656338 395131299 /nfs/dbraw/zinc/13/12/99/395131299.db2.gz OFJNWHOXUPQZDP-QKPAOTATSA-N 2 1 295.471 2.001 20 0 CEADMP CO[C@@]1(C)CCC[NH+](CCC[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348222833 395138871 /nfs/dbraw/zinc/13/88/71/395138871.db2.gz ANYBHWJSXIAVGE-IRXDYDNUSA-N 2 1 298.471 2.378 20 0 CEADMP C[C@@H](C[NH2+]Cc1cc(F)c(F)c(F)c1)C[NH+](C)C ZINC000291809974 395166833 /nfs/dbraw/zinc/16/68/33/395166833.db2.gz YBCGPXBFWYEMDY-VIFPVBQESA-N 2 1 260.303 2.391 20 0 CEADMP C[C@@H](CCNC(=O)CC(C)(C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000178857622 395174825 /nfs/dbraw/zinc/17/48/25/395174825.db2.gz UEWODGWWSVGBCI-AWEZNQCLSA-N 2 1 291.439 2.141 20 0 CEADMP C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000178971764 395176722 /nfs/dbraw/zinc/17/67/22/395176722.db2.gz AIKFWKIQUILGLS-PBHICJAKSA-N 2 1 274.408 2.448 20 0 CEADMP C[C@H](C[NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398217981 395231009 /nfs/dbraw/zinc/23/10/09/395231009.db2.gz VGEPOSHBGWTBAV-VYDXJSESSA-N 2 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398217981 395231016 /nfs/dbraw/zinc/23/10/16/395231016.db2.gz VGEPOSHBGWTBAV-VYDXJSESSA-N 3 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398217981 395231020 /nfs/dbraw/zinc/23/10/20/395231020.db2.gz VGEPOSHBGWTBAV-VYDXJSESSA-N 3 1 275.440 2.081 20 0 CEADMP C[C@H](C[NH3+])C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398217981 395231023 /nfs/dbraw/zinc/23/10/23/395231023.db2.gz VGEPOSHBGWTBAV-VYDXJSESSA-N 2 1 275.440 2.081 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](C)OC)CC1 ZINC000182072548 395232375 /nfs/dbraw/zinc/23/23/75/395232375.db2.gz VWEALTHDOSVFTG-AWEZNQCLSA-N 2 1 256.434 2.465 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000382768111 395183368 /nfs/dbraw/zinc/18/33/68/395183368.db2.gz YRERJDWHMMFBLR-IAGOWNOFSA-N 2 1 287.451 2.192 20 0 CEADMP C[NH2+]CCCN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000382740586 395183927 /nfs/dbraw/zinc/18/39/27/395183927.db2.gz MSHNEVNGBANQMA-MRXNPFEDSA-N 2 1 275.440 2.192 20 0 CEADMP CC[C@H](C)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000350990938 395189016 /nfs/dbraw/zinc/18/90/16/395189016.db2.gz NYJZHJOCSXTWGT-BYNSBNAKSA-N 2 1 254.418 2.216 20 0 CEADMP CO[C@H](CC(C)C)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000419222359 395254848 /nfs/dbraw/zinc/25/48/48/395254848.db2.gz WVHLIDXFUWRVFB-LSDHHAIUSA-N 2 1 256.434 2.321 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000419222359 395254851 /nfs/dbraw/zinc/25/48/51/395254851.db2.gz WVHLIDXFUWRVFB-LSDHHAIUSA-N 2 1 256.434 2.321 20 0 CEADMP CO[C@H](CC(C)C)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000419222359 395254853 /nfs/dbraw/zinc/25/48/53/395254853.db2.gz WVHLIDXFUWRVFB-LSDHHAIUSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CC[C@@H]1CCOC1 ZINC000438181645 395209710 /nfs/dbraw/zinc/20/97/10/395209710.db2.gz VGVCOVODYMNNDY-HUUCEWRRSA-N 2 1 254.418 2.267 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CC[C@@H]1CCOC1 ZINC000438181645 395209711 /nfs/dbraw/zinc/20/97/11/395209711.db2.gz VGVCOVODYMNNDY-HUUCEWRRSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000519702766 395211052 /nfs/dbraw/zinc/21/10/52/395211052.db2.gz DHMDTNNUDLFZQL-MWLCHTKSSA-N 2 1 251.399 2.190 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000519702766 395211053 /nfs/dbraw/zinc/21/10/53/395211053.db2.gz DHMDTNNUDLFZQL-MWLCHTKSSA-N 2 1 251.399 2.190 20 0 CEADMP C[N@H+](CC[NH2+]CC[C@@H]1CCOC1)C1CCCCC1 ZINC000438202861 395211491 /nfs/dbraw/zinc/21/14/91/395211491.db2.gz OPFHORKOIFUCGV-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP C[N@@H+](CC[NH2+]CC[C@@H]1CCOC1)C1CCCCC1 ZINC000438202861 395211503 /nfs/dbraw/zinc/21/15/03/395211503.db2.gz OPFHORKOIFUCGV-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP COc1ccc(OCC[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000397308610 395221243 /nfs/dbraw/zinc/22/12/43/395221243.db2.gz NOSUWDFCQYRMDB-ILXRZTDVSA-N 2 1 292.423 2.379 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC[C@@H]1CCOC1 ZINC000400611390 395252826 /nfs/dbraw/zinc/25/28/26/395252826.db2.gz IPMTZWGQJKNPLT-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP CC(C)(O)C[N@@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000189243568 395325185 /nfs/dbraw/zinc/32/51/85/395325185.db2.gz MSTZCCSEWGASQP-UHFFFAOYSA-N 2 1 254.418 2.098 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000353514685 395299741 /nfs/dbraw/zinc/29/97/41/395299741.db2.gz LEHZEFBJYMQTDO-KKUMJFAQSA-N 2 1 295.471 2.001 20 0 CEADMP c1ccc(NC[C@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000420322070 395326252 /nfs/dbraw/zinc/32/62/52/395326252.db2.gz RZKYOSQDDCWCTC-JKSUJKDBSA-N 2 1 288.439 2.205 20 0 CEADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353613859 395303493 /nfs/dbraw/zinc/30/34/93/395303493.db2.gz QFGQHSXQBJTFTJ-JJXSEGSLSA-N 2 1 280.456 2.246 20 0 CEADMP C[C@H]([NH3+])C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000420297463 395304027 /nfs/dbraw/zinc/30/40/27/395304027.db2.gz FTSURKUJWXJCCK-LBPRGKRZSA-N 2 1 250.361 2.427 20 0 CEADMP CC(C)C[C@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420297339 395304587 /nfs/dbraw/zinc/30/45/87/395304587.db2.gz CYTDCQHPGYJRCW-SQNIBIBYSA-N 2 1 290.451 2.428 20 0 CEADMP CO[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C(F)(F)F ZINC000353682550 395305798 /nfs/dbraw/zinc/30/57/98/395305798.db2.gz OCTKNWLOYQZDMZ-QNWHQSFQSA-N 2 1 294.361 2.416 20 0 CEADMP CC(C)CC[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420300396 395306345 /nfs/dbraw/zinc/30/63/45/395306345.db2.gz KGGPTUIPUDTPRV-INIZCTEOSA-N 2 1 267.461 2.182 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)CCS1 ZINC000420305546 395309113 /nfs/dbraw/zinc/30/91/13/395309113.db2.gz POIUHRZUEAQULZ-KGLIPLIRSA-N 2 1 256.459 2.450 20 0 CEADMP CCC[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420312442 395317129 /nfs/dbraw/zinc/31/71/29/395317129.db2.gz XAJAHSDULKHZAT-BZSNNMDCSA-N 2 1 290.451 2.429 20 0 CEADMP FCCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000420315029 395318206 /nfs/dbraw/zinc/31/82/06/395318206.db2.gz RLENAQIVLDXGQJ-HNNXBMFYSA-N 2 1 265.376 2.385 20 0 CEADMP FCCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000420315029 395318209 /nfs/dbraw/zinc/31/82/09/395318209.db2.gz RLENAQIVLDXGQJ-HNNXBMFYSA-N 2 1 265.376 2.385 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326066 395327499 /nfs/dbraw/zinc/32/74/99/395327499.db2.gz JDMYXUVFAWGGTE-CVEARBPZSA-N 2 1 268.445 2.371 20 0 CEADMP CCC[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000420319487 395321408 /nfs/dbraw/zinc/32/14/08/395321408.db2.gz PPPIJBNAGQCVHK-SFHVURJKSA-N 2 1 287.451 2.291 20 0 CEADMP Cc1ccc(C[N@H+](CCN2CC[NH2+]CC2)C(C)C)s1 ZINC000420318710 395322594 /nfs/dbraw/zinc/32/25/94/395322594.db2.gz OPSPSASYFRJMMC-UHFFFAOYSA-N 2 1 281.469 2.172 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC[NH+](C2CCC2)CC1 ZINC000352749443 395268489 /nfs/dbraw/zinc/26/84/89/395268489.db2.gz QOKIHUQZVVPVCJ-DYVFJYSZSA-N 2 1 277.456 2.076 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000352749443 395268492 /nfs/dbraw/zinc/26/84/92/395268492.db2.gz QOKIHUQZVVPVCJ-DYVFJYSZSA-N 2 1 277.456 2.076 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000420369307 395355065 /nfs/dbraw/zinc/35/50/65/395355065.db2.gz OIFFJUUHYSAGRH-WQGACYEGSA-N 2 1 293.386 2.130 20 0 CEADMP Fc1ccc(OCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420369468 395355218 /nfs/dbraw/zinc/35/52/18/395355218.db2.gz KZIUOUKOOFBVEJ-MRXNPFEDSA-N 2 1 278.371 2.280 20 0 CEADMP Fc1ccc(OCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420369468 395355221 /nfs/dbraw/zinc/35/52/21/395355221.db2.gz KZIUOUKOOFBVEJ-MRXNPFEDSA-N 2 1 278.371 2.280 20 0 CEADMP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000420367863 395355327 /nfs/dbraw/zinc/35/53/27/395355327.db2.gz WIPROTWKJLUJQW-CQSZACIVSA-N 3 1 255.450 2.168 20 0 CEADMP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](C)N)CC1 ZINC000420367863 395355330 /nfs/dbraw/zinc/35/53/30/395355330.db2.gz WIPROTWKJLUJQW-CQSZACIVSA-N 2 1 255.450 2.168 20 0 CEADMP CCC1(CC)CCC[N@@H+](CCN2CC[NH2+]CC2)CC1 ZINC000420374500 395360286 /nfs/dbraw/zinc/36/02/86/395360286.db2.gz NUKFWWCGVPGPPN-UHFFFAOYSA-N 2 1 267.461 2.184 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440814026 395361191 /nfs/dbraw/zinc/36/11/91/395361191.db2.gz CAIMFIZOGHDAGO-JTQLQIEISA-N 2 1 290.333 2.250 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440814026 395361196 /nfs/dbraw/zinc/36/11/96/395361196.db2.gz CAIMFIZOGHDAGO-JTQLQIEISA-N 2 1 290.333 2.250 20 0 CEADMP Cc1nc(C2([NH2+]CC[C@@H]3CCC[NH2+]C3)CCCC2)no1 ZINC000420382154 395365936 /nfs/dbraw/zinc/36/59/36/395365936.db2.gz YLVJAZMTWTWWOK-ZDUSSCGKSA-N 2 1 278.400 2.127 20 0 CEADMP c1ccc([C@H]2CNCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420401901 395371097 /nfs/dbraw/zinc/37/10/97/395371097.db2.gz JRUNPCDGAFKLJZ-NVXWUHKLSA-N 2 1 273.424 2.023 20 0 CEADMP c1ccc([C@H]2C[NH2+]CCN2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420401901 395371101 /nfs/dbraw/zinc/37/11/01/395371101.db2.gz JRUNPCDGAFKLJZ-NVXWUHKLSA-N 2 1 273.424 2.023 20 0 CEADMP Cc1nccn1CCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420399288 395371314 /nfs/dbraw/zinc/37/13/14/395371314.db2.gz NSDVCLMHOCFGQQ-CVEARBPZSA-N 2 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420399288 395371318 /nfs/dbraw/zinc/37/13/18/395371318.db2.gz NSDVCLMHOCFGQQ-CVEARBPZSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420399288 395371321 /nfs/dbraw/zinc/37/13/21/395371321.db2.gz NSDVCLMHOCFGQQ-CVEARBPZSA-N 3 1 276.428 2.046 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420407447 395372946 /nfs/dbraw/zinc/37/29/46/395372946.db2.gz VIMKYMBYBQPHJC-STQMWFEESA-N 2 1 294.361 2.419 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000420405479 395372989 /nfs/dbraw/zinc/37/29/89/395372989.db2.gz MYRNSVLFEVJCCV-XDTLVQLUSA-N 2 1 254.761 2.107 20 0 CEADMP CC(C)(C)CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420405826 395373041 /nfs/dbraw/zinc/37/30/41/395373041.db2.gz UCVYAUOQKFLATJ-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)(C)CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420405826 395373046 /nfs/dbraw/zinc/37/30/46/395373046.db2.gz UCVYAUOQKFLATJ-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP CC(C)N(C(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)C1CCCC1 ZINC000420408518 395373740 /nfs/dbraw/zinc/37/37/40/395373740.db2.gz PICSREBRDVZYOK-HUUCEWRRSA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)C1CCCC1 ZINC000420408518 395373744 /nfs/dbraw/zinc/37/37/44/395373744.db2.gz PICSREBRDVZYOK-HUUCEWRRSA-N 2 1 295.471 2.083 20 0 CEADMP C[NH2+]CCC[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000435885784 395394770 /nfs/dbraw/zinc/39/47/70/395394770.db2.gz OCEQUUJJGNPQEA-UHFFFAOYSA-N 2 1 262.397 2.448 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCOCCc1ccccc1 ZINC000442779164 395395109 /nfs/dbraw/zinc/39/51/09/395395109.db2.gz IGDOAUZKMAOYFS-NVXWUHKLSA-N 2 1 276.424 2.305 20 0 CEADMP CC(C)c1noc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420326031 395328035 /nfs/dbraw/zinc/32/80/35/395328035.db2.gz JAODBMWBLOVOCY-OLZOCXBDSA-N 2 1 278.400 2.015 20 0 CEADMP CCCCOCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326714 395329219 /nfs/dbraw/zinc/32/92/19/395329219.db2.gz KMPLMXYOFNLBKJ-HUUCEWRRSA-N 2 1 254.418 2.125 20 0 CEADMP CC(C)OCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329784 395331446 /nfs/dbraw/zinc/33/14/46/395331446.db2.gz OYFSRHJTMMVPKM-GJZGRUSLSA-N 2 1 254.418 2.123 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@H]1CCCCO1 ZINC000420334318 395333095 /nfs/dbraw/zinc/33/30/95/395333095.db2.gz UEGKWTCPIAPZMQ-HRCADAONSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1ncsc1CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336650 395335136 /nfs/dbraw/zinc/33/51/36/395335136.db2.gz WAZDPOUKVXVRTD-ZIAGYGMSSA-N 2 1 279.453 2.316 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000354531091 395335477 /nfs/dbraw/zinc/33/54/77/395335477.db2.gz IEEIFYBHCOIRRU-XHSDSOJGSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)c1ccc([C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420348938 395339284 /nfs/dbraw/zinc/33/92/84/395339284.db2.gz BFEBSDSDWYVSLC-WFASDCNBSA-N 2 1 250.386 2.122 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420355920 395342893 /nfs/dbraw/zinc/34/28/93/395342893.db2.gz FPYMETPHDWIQNA-GJZGRUSLSA-N 2 1 297.487 2.295 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC(F)(F)C1 ZINC000529532273 395396974 /nfs/dbraw/zinc/39/69/74/395396974.db2.gz HZXLHAITGDLQLB-WDEREUQCSA-N 2 1 258.356 2.494 20 0 CEADMP CCOC(=O)C1CCC([NH2+]C[C@H](C)[NH+](CC)CC)CC1 ZINC000355283859 395397180 /nfs/dbraw/zinc/39/71/80/395397180.db2.gz CPHUNCQPZIIDMK-NFOMZHRRSA-N 2 1 284.444 2.428 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420360867 395347694 /nfs/dbraw/zinc/34/76/94/395347694.db2.gz LOXKJROHLMCKFP-CQSZACIVSA-N 2 1 295.402 2.426 20 0 CEADMP C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420363857 395349877 /nfs/dbraw/zinc/34/98/77/395349877.db2.gz PUTHFWMJHPAEPH-SPUZQDLCSA-N 2 1 290.451 2.428 20 0 CEADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420363857 395349879 /nfs/dbraw/zinc/34/98/79/395349879.db2.gz PUTHFWMJHPAEPH-SPUZQDLCSA-N 2 1 290.451 2.428 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000354937650 395350011 /nfs/dbraw/zinc/35/00/11/395350011.db2.gz ISLBQILTOUEJRV-HOTGVXAUSA-N 2 1 297.487 2.343 20 0 CEADMP COC(=O)[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C[C@H]1C ZINC000355380250 395429635 /nfs/dbraw/zinc/42/96/35/395429635.db2.gz HWQQHIRMXXZIRR-UKRRQHHQSA-N 2 1 293.411 2.103 20 0 CEADMP COC(=O)[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C[C@H]1C ZINC000355380250 395429639 /nfs/dbraw/zinc/42/96/39/395429639.db2.gz HWQQHIRMXXZIRR-UKRRQHHQSA-N 2 1 293.411 2.103 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CCO[C@@H]2CCCCO2)C1 ZINC000444642999 395442895 /nfs/dbraw/zinc/44/28/95/395442895.db2.gz BRMKFFBGENONOD-DLBZAZTESA-N 2 1 296.455 2.193 20 0 CEADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000444642999 395442898 /nfs/dbraw/zinc/44/28/98/395442898.db2.gz BRMKFFBGENONOD-DLBZAZTESA-N 2 1 296.455 2.193 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000444642999 395442900 /nfs/dbraw/zinc/44/29/00/395442900.db2.gz BRMKFFBGENONOD-DLBZAZTESA-N 2 1 296.455 2.193 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000444642999 395442902 /nfs/dbraw/zinc/44/29/02/395442902.db2.gz BRMKFFBGENONOD-DLBZAZTESA-N 2 1 296.455 2.193 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000444642999 395442905 /nfs/dbraw/zinc/44/29/05/395442905.db2.gz BRMKFFBGENONOD-DLBZAZTESA-N 2 1 296.455 2.193 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCO[C@H]2CCCCO2)C[C@@H]1C ZINC000444654598 395444055 /nfs/dbraw/zinc/44/40/55/395444055.db2.gz XRTMGBUJFZJJEF-JYJNAYRXSA-N 2 1 284.444 2.334 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCO[C@H]2CCCCO2)C[C@@H]1C ZINC000444654598 395444058 /nfs/dbraw/zinc/44/40/58/395444058.db2.gz XRTMGBUJFZJJEF-JYJNAYRXSA-N 2 1 284.444 2.334 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCO[C@H]2CCCCO2)C[C@@H]1C ZINC000444654598 395444061 /nfs/dbraw/zinc/44/40/61/395444061.db2.gz XRTMGBUJFZJJEF-JYJNAYRXSA-N 2 1 284.444 2.334 20 0 CEADMP CC(C)[C@H]1[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1(C)C ZINC000573625601 395612518 /nfs/dbraw/zinc/61/25/18/395612518.db2.gz OPSPQIYTLICYSS-UONOGXRCSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[C@H]1[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1(C)C ZINC000573625601 395612521 /nfs/dbraw/zinc/61/25/21/395612521.db2.gz OPSPQIYTLICYSS-UONOGXRCSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[C@H]1[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1(C)C ZINC000573625601 395612522 /nfs/dbraw/zinc/61/25/22/395612522.db2.gz OPSPQIYTLICYSS-UONOGXRCSA-N 2 1 256.434 2.054 20 0 CEADMP CC(C)[C@H]1[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1(C)C ZINC000573625601 395612525 /nfs/dbraw/zinc/61/25/25/395612525.db2.gz OPSPQIYTLICYSS-UONOGXRCSA-N 2 1 256.434 2.054 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451419852 395615710 /nfs/dbraw/zinc/61/57/10/395615710.db2.gz LZYWKLDANHWSSI-BZUAXINKSA-N 2 1 268.445 2.344 20 0 CEADMP CC[C@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000449560490 395554745 /nfs/dbraw/zinc/55/47/45/395554745.db2.gz LTXXTFVFMOHLPR-SDKNFDLMSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(CCCc2c[nH+]cn2C)C[C@@H](C)C1 ZINC000568410282 395558854 /nfs/dbraw/zinc/55/88/54/395558854.db2.gz HJZTVCVCDJCLGW-INMHGKMJSA-N 2 1 290.455 2.015 20 0 CEADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H]1CCCC[NH+]1CC ZINC000568430597 395560070 /nfs/dbraw/zinc/56/00/70/395560070.db2.gz SSGBHQGRLQFWAF-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1cnn(CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000574345168 395628590 /nfs/dbraw/zinc/62/85/90/395628590.db2.gz XPCIMBFQDQPFDN-UHFFFAOYSA-N 2 1 278.444 2.244 20 0 CEADMP Cc1cnc(C)nc1NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000574770673 395637365 /nfs/dbraw/zinc/63/73/65/395637365.db2.gz KVOKSZGBVZUUAU-AAEUAGOBSA-N 2 1 262.401 2.048 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000574782077 395637570 /nfs/dbraw/zinc/63/75/70/395637570.db2.gz FCMSTQHMUXXKMI-OAHLLOKOSA-N 2 1 272.396 2.335 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000574887212 395639896 /nfs/dbraw/zinc/63/98/96/395639896.db2.gz VZVZDKFIKRNKRS-FZMZJTMJSA-N 2 1 250.390 2.084 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000574887212 395639897 /nfs/dbraw/zinc/63/98/97/395639897.db2.gz VZVZDKFIKRNKRS-FZMZJTMJSA-N 2 1 250.390 2.084 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccc(N(C)CC)nc2)CC[C@H]1[NH3+] ZINC000647497334 395721438 /nfs/dbraw/zinc/72/14/38/395721438.db2.gz CVXDPUFVXKEWIN-LSDHHAIUSA-N 2 1 276.428 2.097 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(N(C)CC)nc2)CC[C@H]1[NH3+] ZINC000647497334 395721440 /nfs/dbraw/zinc/72/14/40/395721440.db2.gz CVXDPUFVXKEWIN-LSDHHAIUSA-N 2 1 276.428 2.097 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cn(C(C)C)nc2C)CC[C@@H]1[NH3+] ZINC000647497563 395721534 /nfs/dbraw/zinc/72/15/34/395721534.db2.gz MFUGXDDLUXHMOX-HIFRSBDPSA-N 2 1 264.417 2.332 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)CC[C@@H]1[NH3+] ZINC000647497563 395721536 /nfs/dbraw/zinc/72/15/36/395721536.db2.gz MFUGXDDLUXHMOX-HIFRSBDPSA-N 2 1 264.417 2.332 20 0 CEADMP CCCn1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c1C ZINC000647498746 395722098 /nfs/dbraw/zinc/72/20/98/395722098.db2.gz PHBBCXKIYLEKPG-HOCLYGCPSA-N 2 1 278.444 2.469 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c1C ZINC000647498746 395722099 /nfs/dbraw/zinc/72/20/99/395722099.db2.gz PHBBCXKIYLEKPG-HOCLYGCPSA-N 2 1 278.444 2.469 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cnc3c(C)cccn23)CC[C@@H]1[NH3+] ZINC000647498298 395722490 /nfs/dbraw/zinc/72/24/90/395722490.db2.gz DPAYJKLNWWVOTP-ZFWWWQNUSA-N 2 1 272.396 2.202 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cnc3c(C)cccn23)CC[C@@H]1[NH3+] ZINC000647498298 395722492 /nfs/dbraw/zinc/72/24/92/395722492.db2.gz DPAYJKLNWWVOTP-ZFWWWQNUSA-N 2 1 272.396 2.202 20 0 CEADMP COc1ccc([C@@H](CC(C)C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000647288893 395697787 /nfs/dbraw/zinc/69/77/87/395697787.db2.gz UHNNWZYPHPGSTF-NVXWUHKLSA-N 2 1 294.439 2.295 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000647549197 395732755 /nfs/dbraw/zinc/73/27/55/395732755.db2.gz MTUSWILVSHIKFH-SMDDNHRTSA-N 2 1 252.789 2.470 20 0 CEADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543321 395730796 /nfs/dbraw/zinc/73/07/96/395730796.db2.gz LADAUAYRZJGYKC-CABCVRRESA-N 2 1 276.428 2.238 20 0 CEADMP CCc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000647545498 395731349 /nfs/dbraw/zinc/73/13/49/395731349.db2.gz YVTPGZFCEXLUBL-ZDUSSCGKSA-N 2 1 294.464 2.498 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc2c(s1)CCCC2 ZINC000647552272 395734209 /nfs/dbraw/zinc/73/42/09/395734209.db2.gz OPHFQZKGFCKVFY-UWVGGRQHSA-N 2 1 253.415 2.237 20 0 CEADMP Cc1cccc2nc(CC[NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)cn21 ZINC000647804269 395758264 /nfs/dbraw/zinc/75/82/64/395758264.db2.gz NFPWAHNWBGRCPO-ZBFHGGJFSA-N 2 1 286.423 2.305 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCC(C)CC2)CC[C@@H]1[NH3+] ZINC000647938895 395780459 /nfs/dbraw/zinc/78/04/59/395780459.db2.gz WQYXOCMCZCSAKO-BLLSQUSRSA-N 2 1 295.471 2.129 20 0 CEADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCC(C)CC2)CC[C@@H]1[NH3+] ZINC000647938895 395780462 /nfs/dbraw/zinc/78/04/62/395780462.db2.gz WQYXOCMCZCSAKO-BLLSQUSRSA-N 2 1 295.471 2.129 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1cccc(C)c1 ZINC000647960132 395785689 /nfs/dbraw/zinc/78/56/89/395785689.db2.gz HQLMSNFTWAJBMU-IAGOWNOFSA-N 2 1 276.424 2.445 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1cccc(C)c1 ZINC000647960132 395785691 /nfs/dbraw/zinc/78/56/91/395785691.db2.gz HQLMSNFTWAJBMU-IAGOWNOFSA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000647960132 395785693 /nfs/dbraw/zinc/78/56/93/395785693.db2.gz HQLMSNFTWAJBMU-IAGOWNOFSA-N 2 1 276.424 2.445 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000647960132 395785694 /nfs/dbraw/zinc/78/56/94/395785694.db2.gz HQLMSNFTWAJBMU-IAGOWNOFSA-N 2 1 276.424 2.445 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000647965982 395788768 /nfs/dbraw/zinc/78/87/68/395788768.db2.gz ZGOBJDHGRQMPRB-OWCLPIDISA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000647965982 395788770 /nfs/dbraw/zinc/78/87/70/395788770.db2.gz ZGOBJDHGRQMPRB-OWCLPIDISA-N 2 1 268.445 2.201 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000647965982 395788771 /nfs/dbraw/zinc/78/87/71/395788771.db2.gz ZGOBJDHGRQMPRB-OWCLPIDISA-N 2 1 268.445 2.201 20 0 CEADMP C[N@H+](CCc1ccc2ccccc2c1)CCN1CC[NH2+]CC1 ZINC000647835546 395761788 /nfs/dbraw/zinc/76/17/88/395761788.db2.gz AZLRDNHUAVXIIJ-UHFFFAOYSA-N 2 1 297.446 2.219 20 0 CEADMP Fc1ccc(C[C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647881127 395768004 /nfs/dbraw/zinc/76/80/04/395768004.db2.gz COFDHZZJMQEYQD-ZBFHGGJFSA-N 2 1 262.372 2.442 20 0 CEADMP COc1ccc2c(c1)CCC[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000647884491 395769424 /nfs/dbraw/zinc/76/94/24/395769424.db2.gz VZGNLOLBOZMMPI-CYBMUJFWSA-N 2 1 260.381 2.053 20 0 CEADMP CC[C@H]1C[N@@H+](CCOc2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000647935028 395778515 /nfs/dbraw/zinc/77/85/15/395778515.db2.gz XGYZRNLQCGXGOH-XJKSGUPXSA-N 2 1 278.396 2.133 20 0 CEADMP CCN1C[C@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C[C@H]1C ZINC000647989082 395796831 /nfs/dbraw/zinc/79/68/31/395796831.db2.gz GVKWJFANUDKGHY-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@@H+]1C[C@H](C)N(CCCC2CC[NH2+]CC2)C[C@H]1C ZINC000647989082 395796833 /nfs/dbraw/zinc/79/68/33/395796833.db2.gz GVKWJFANUDKGHY-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@H+]1C[C@H](C)N(CCCC2CC[NH2+]CC2)C[C@H]1C ZINC000647989082 395796835 /nfs/dbraw/zinc/79/68/35/395796835.db2.gz GVKWJFANUDKGHY-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000647995254 395798432 /nfs/dbraw/zinc/79/84/32/395798432.db2.gz JFILIDXNYLIICI-JKSUJKDBSA-N 2 1 279.472 2.040 20 0 CEADMP CC[C@@H](C[NH2+][C@H]1CCO[C@H](CC)C1)[NH+]1CCCC1 ZINC000648417474 395905359 /nfs/dbraw/zinc/90/53/59/395905359.db2.gz ZOENNULPGIPHPS-SOUVJXGZSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@@H](CC)C2)C1 ZINC000648433270 395907877 /nfs/dbraw/zinc/90/78/77/395907877.db2.gz YAEDWNDSBSPMBU-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000649413757 396147102 /nfs/dbraw/zinc/14/71/02/396147102.db2.gz BIZVVUYDZDFUSU-FUHWJXTLSA-N 2 1 287.451 2.192 20 0 CEADMP CC[C@H](OCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000649491626 396168929 /nfs/dbraw/zinc/16/89/29/396168929.db2.gz WPRWCAPYSMEGGV-BBWFWOEESA-N 2 1 274.408 2.306 20 0 CEADMP Cc1cncc(CC[N@H+](C)CC[C@H]2CCCC[NH+]2C)n1 ZINC000649541705 396183808 /nfs/dbraw/zinc/18/38/08/396183808.db2.gz GFTWNMDOJHLVCA-MRXNPFEDSA-N 2 1 276.428 2.134 20 0 CEADMP Cc1cncc(CC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)n1 ZINC000649541705 396183811 /nfs/dbraw/zinc/18/38/11/396183811.db2.gz GFTWNMDOJHLVCA-MRXNPFEDSA-N 2 1 276.428 2.134 20 0 CEADMP Cc1cncc(CC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)n1 ZINC000649541705 396183813 /nfs/dbraw/zinc/18/38/13/396183813.db2.gz GFTWNMDOJHLVCA-MRXNPFEDSA-N 2 1 276.428 2.134 20 0 CEADMP Cc1cncc(CC[NH+](C)CC[C@H]2CCCC[N@H+]2C)n1 ZINC000649541705 396183816 /nfs/dbraw/zinc/18/38/16/396183816.db2.gz GFTWNMDOJHLVCA-MRXNPFEDSA-N 2 1 276.428 2.134 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1F ZINC000649728046 396241907 /nfs/dbraw/zinc/24/19/07/396241907.db2.gz ZGTTWGMWJHVPRC-HIFRSBDPSA-N 2 1 280.387 2.241 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C2(O)CC2)CC1 ZINC000649674370 396226900 /nfs/dbraw/zinc/22/69/00/396226900.db2.gz RKJUNRHYSIWWGK-OAHLLOKOSA-N 2 1 266.429 2.098 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CC[C@H]1CCC[NH+]1C)CCOCC2 ZINC000646098029 396292167 /nfs/dbraw/zinc/29/21/67/396292167.db2.gz DSMFEARNCXGMKF-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1CC2(C[NH+]1CC[C@H]1CCC[N@@H+]1C)CCOCC2 ZINC000646098029 396292171 /nfs/dbraw/zinc/29/21/71/396292171.db2.gz DSMFEARNCXGMKF-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@@H]1CC2(C[NH+]1CC[C@H]1CCC[N@H+]1C)CCOCC2 ZINC000646098029 396292175 /nfs/dbraw/zinc/29/21/75/396292175.db2.gz DSMFEARNCXGMKF-HUUCEWRRSA-N 2 1 266.429 2.362 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)s1 ZINC000646104523 396293894 /nfs/dbraw/zinc/29/38/94/396293894.db2.gz PLWXPJQBXSPWBG-UHFFFAOYSA-N 2 1 295.452 2.057 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)s1 ZINC000646104523 396293895 /nfs/dbraw/zinc/29/38/95/396293895.db2.gz PLWXPJQBXSPWBG-UHFFFAOYSA-N 2 1 295.452 2.057 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCc1ccsc1)CCO2 ZINC000646105681 396293906 /nfs/dbraw/zinc/29/39/06/396293906.db2.gz CIGMYZJECDNVCM-UHFFFAOYSA-N 2 1 294.464 2.477 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1F)CCO2 ZINC000646102826 396294072 /nfs/dbraw/zinc/29/40/72/396294072.db2.gz SXZLWQSNAGBOQW-UHFFFAOYSA-N 2 1 278.371 2.122 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1F)CCO2 ZINC000646102826 396294074 /nfs/dbraw/zinc/29/40/74/396294074.db2.gz SXZLWQSNAGBOQW-UHFFFAOYSA-N 2 1 278.371 2.122 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCn2cc[nH+]c2C)o1 ZINC000647177438 396430363 /nfs/dbraw/zinc/43/03/63/396430363.db2.gz ZOFJQCBAUIAXTQ-UHFFFAOYSA-N 2 1 299.378 2.283 20 0 CEADMP C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000647200268 396438495 /nfs/dbraw/zinc/43/84/95/396438495.db2.gz VJKNGBOUPFKTCG-BARDWOONSA-N 2 1 266.429 2.406 20 0 CEADMP FC(F)(F)COCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000049313075 400227930 /nfs/dbraw/zinc/22/79/30/400227930.db2.gz FXTCVWNQVZHJES-OLZOCXBDSA-N 2 1 294.361 2.419 20 0 CEADMP Cc1[nH]c2nc[nH+]c(NCCC3(C[NH3+])CC3)c2c1C ZINC000650302322 400865140 /nfs/dbraw/zinc/86/51/40/400865140.db2.gz DQQNMKRHBGULJY-UHFFFAOYSA-N 2 1 259.357 2.116 20 0 CEADMP Cc1ncccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706855 400997785 /nfs/dbraw/zinc/99/77/85/400997785.db2.gz UHZNNUCZCLGDLG-YESZJQIVSA-N 2 1 289.423 2.108 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705514 400998321 /nfs/dbraw/zinc/99/83/21/400998321.db2.gz KBOMUZGFAPDSFB-LZWOXQAQSA-N 2 1 293.411 2.010 20 0 CEADMP [NH3+]CC1(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000650713878 401004739 /nfs/dbraw/zinc/00/47/39/401004739.db2.gz HNPWCTHZUURAED-HZPDHXFCSA-N 3 1 273.424 2.198 20 0 CEADMP c1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CN2 ZINC000650747584 401024487 /nfs/dbraw/zinc/02/44/87/401024487.db2.gz CVRVHHWGLXUYQM-HNNXBMFYSA-N 2 1 271.408 2.240 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000650756105 401033314 /nfs/dbraw/zinc/03/33/14/401033314.db2.gz USHOIGFZQWKLNM-CVEARBPZSA-N 3 1 261.413 2.156 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000359959213 155181325 /nfs/dbraw/zinc/18/13/25/155181325.db2.gz QGDCFKLUJVJBOL-JKSUJKDBSA-N 2 1 288.439 2.254 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000359959213 155181328 /nfs/dbraw/zinc/18/13/28/155181328.db2.gz QGDCFKLUJVJBOL-JKSUJKDBSA-N 2 1 288.439 2.254 20 0 CEADMP CCOC1CC(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)C1 ZINC000352002877 286012246 /nfs/dbraw/zinc/01/22/46/286012246.db2.gz IYQQNFMGCVQADB-QQFBHYJXSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000651384166 401327015 /nfs/dbraw/zinc/32/70/15/401327015.db2.gz GXXHSBDYYFXDEE-FBVQUNGASA-N 2 1 288.435 2.459 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651708897 401375763 /nfs/dbraw/zinc/37/57/63/401375763.db2.gz FGEFKQYYKIUGHF-GFCCVEGCSA-N 2 1 259.353 2.259 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651708897 401375765 /nfs/dbraw/zinc/37/57/65/401375765.db2.gz FGEFKQYYKIUGHF-GFCCVEGCSA-N 2 1 259.353 2.259 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000652522272 401536619 /nfs/dbraw/zinc/53/66/19/401536619.db2.gz AWKGTBLPGDNVRN-UHFFFAOYSA-N 2 1 297.487 2.201 20 0 CEADMP COCC(C)(C)C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000349199049 292194070 /nfs/dbraw/zinc/19/40/70/292194070.db2.gz XRTFUIFLTDIHLH-OAHLLOKOSA-N 2 1 268.445 2.323 20 0 CEADMP CCO[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1C[NH3+] ZINC000652356562 401492999 /nfs/dbraw/zinc/49/29/99/401492999.db2.gz SDXWPANBQFGLKK-GHMZBOCLSA-N 2 1 268.323 2.015 20 0 CEADMP CC(C)COCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363341 401494820 /nfs/dbraw/zinc/49/48/20/401494820.db2.gz BOZYJYYBNDIVIP-OAGGEKHMSA-N 2 1 284.444 2.020 20 0 CEADMP Nc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652363614 401494856 /nfs/dbraw/zinc/49/48/56/401494856.db2.gz JEJUVJRRURXNTR-BRWVUGGUSA-N 2 1 289.423 2.130 20 0 CEADMP Cc1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000158775420 289240434 /nfs/dbraw/zinc/24/04/34/289240434.db2.gz MTNXTUFCSOLMIU-TZMCWYRMSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000158775420 289240435 /nfs/dbraw/zinc/24/04/35/289240435.db2.gz MTNXTUFCSOLMIU-TZMCWYRMSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000158775420 289240432 /nfs/dbraw/zinc/24/04/32/289240432.db2.gz MTNXTUFCSOLMIU-TZMCWYRMSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000158775420 289240433 /nfs/dbraw/zinc/24/04/33/289240433.db2.gz MTNXTUFCSOLMIU-TZMCWYRMSA-N 2 1 265.426 2.368 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](COC)CC(C)C)C1 ZINC000360241917 155251717 /nfs/dbraw/zinc/25/17/17/155251717.db2.gz MCHPUINLXPRMCN-HUUCEWRRSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360534858 155321336 /nfs/dbraw/zinc/32/13/36/155321336.db2.gz KYFBURHPHZNARY-OAGGEKHMSA-N 2 1 266.429 2.267 20 0 CEADMP CC(C)n1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cn1 ZINC000360791393 155373563 /nfs/dbraw/zinc/37/35/63/155373563.db2.gz MXQFTTXRNCPUAX-IXDOHACOSA-N 2 1 288.439 2.380 20 0 CEADMP Cc1n[nH]cc1CN1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000360790139 155371865 /nfs/dbraw/zinc/37/18/65/155371865.db2.gz AXXIZQIEXZJXEU-RCCFBDPRSA-N 2 1 296.418 2.453 20 0 CEADMP Cc1n[nH]cc1C[NH+]1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000360790139 155371867 /nfs/dbraw/zinc/37/18/67/155371867.db2.gz AXXIZQIEXZJXEU-RCCFBDPRSA-N 2 1 296.418 2.453 20 0 CEADMP Cc1n[nH]cc1C[NH+]1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000360790139 155371870 /nfs/dbraw/zinc/37/18/70/155371870.db2.gz AXXIZQIEXZJXEU-RCCFBDPRSA-N 2 1 296.418 2.453 20 0 CEADMP Cc1n[nH]cc1C[N@H+]1C[C@@H]2C[NH+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000360790139 155371874 /nfs/dbraw/zinc/37/18/74/155371874.db2.gz AXXIZQIEXZJXEU-RCCFBDPRSA-N 2 1 296.418 2.453 20 0 CEADMP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2C[NH+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000360790139 155371878 /nfs/dbraw/zinc/37/18/78/155371878.db2.gz AXXIZQIEXZJXEU-RCCFBDPRSA-N 2 1 296.418 2.453 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000192601760 153210671 /nfs/dbraw/zinc/21/06/71/153210671.db2.gz PJJFJOCRVWMWNF-FVQBIDKESA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000192601760 153210673 /nfs/dbraw/zinc/21/06/73/153210673.db2.gz PJJFJOCRVWMWNF-FVQBIDKESA-N 2 1 266.429 2.266 20 0 CEADMP COC1CC([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000220829595 153305459 /nfs/dbraw/zinc/30/54/59/153305459.db2.gz XOYXRHDXDSHMEW-UHFFFAOYSA-N 2 1 262.397 2.276 20 0 CEADMP CCOc1cc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)ccc1O ZINC000226864228 153336666 /nfs/dbraw/zinc/33/66/66/153336666.db2.gz JVNRLGKKNCKHJB-GXTWGEPZSA-N 2 1 278.396 2.363 20 0 CEADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1O ZINC000226864228 153336669 /nfs/dbraw/zinc/33/66/69/153336669.db2.gz JVNRLGKKNCKHJB-GXTWGEPZSA-N 2 1 278.396 2.363 20 0 CEADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1O ZINC000226864228 153336671 /nfs/dbraw/zinc/33/66/71/153336671.db2.gz JVNRLGKKNCKHJB-GXTWGEPZSA-N 2 1 278.396 2.363 20 0 CEADMP CC(C)N1CCC([NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000228834903 153367718 /nfs/dbraw/zinc/36/77/18/153367718.db2.gz PAEZBKKXEYFBOR-UHFFFAOYSA-N 2 1 267.461 2.181 20 0 CEADMP COc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C(C)C)cc1 ZINC000358257004 286375915 /nfs/dbraw/zinc/37/59/15/286375915.db2.gz RVGDZQZFZOXCBY-SJORKVTESA-N 2 1 292.423 2.049 20 0 CEADMP COc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C(C)C)cc1 ZINC000358257004 286375916 /nfs/dbraw/zinc/37/59/16/286375916.db2.gz RVGDZQZFZOXCBY-SJORKVTESA-N 2 1 292.423 2.049 20 0 CEADMP Cn1cncc1C[N@H+]1CCCc2ccccc2CC1 ZINC000334618306 154229365 /nfs/dbraw/zinc/22/93/65/154229365.db2.gz FEYINHRAFGLLPV-UHFFFAOYSA-N 2 1 255.365 2.411 20 0 CEADMP c1nc(-c2ccccc2)sc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000336410280 154251243 /nfs/dbraw/zinc/25/12/43/154251243.db2.gz AVUWBTVXFSORBU-OKILXGFUSA-N 2 1 285.416 2.461 20 0 CEADMP c1nc(-c2ccccc2)sc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000336410280 154251247 /nfs/dbraw/zinc/25/12/47/154251247.db2.gz AVUWBTVXFSORBU-OKILXGFUSA-N 2 1 285.416 2.461 20 0 CEADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1cccc3c[nH]nc31)C2 ZINC000345922617 154283765 /nfs/dbraw/zinc/28/37/65/154283765.db2.gz XWPFQAGYXZXMFF-LBPRGKRZSA-N 2 1 281.363 2.112 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](CCOC)Cc2ccco2)CC1 ZINC000346815277 154301379 /nfs/dbraw/zinc/30/13/79/154301379.db2.gz SELNZOUQTIUYIB-OAHLLOKOSA-N 2 1 280.412 2.301 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000347086660 154301780 /nfs/dbraw/zinc/30/17/80/154301780.db2.gz DZKCZJBUALJPEV-CYBMUJFWSA-N 2 1 270.380 2.247 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000348998816 154307751 /nfs/dbraw/zinc/30/77/51/154307751.db2.gz KWWNTWVEPQJHBS-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000348998816 154307756 /nfs/dbraw/zinc/30/77/56/154307756.db2.gz KWWNTWVEPQJHBS-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000348998816 154307760 /nfs/dbraw/zinc/30/77/60/154307760.db2.gz KWWNTWVEPQJHBS-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000348998816 154307764 /nfs/dbraw/zinc/30/77/64/154307764.db2.gz KWWNTWVEPQJHBS-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(C)CC[NH+](C)CC2)s1 ZINC000352735585 154329710 /nfs/dbraw/zinc/32/97/10/154329710.db2.gz IBFXBTPMJBGNEG-UHFFFAOYSA-N 3 1 296.484 2.026 20 0 CEADMP COCCCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352771461 154332691 /nfs/dbraw/zinc/33/26/91/154332691.db2.gz NLVQERODWVMKPF-UHFFFAOYSA-N 2 1 271.430 2.111 20 0 CEADMP CO[C@@]1(C)C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(C)C ZINC000352779569 154337297 /nfs/dbraw/zinc/33/72/97/154337297.db2.gz WUUYEPJITIQWDR-DOMZBBRYSA-N 2 1 297.468 2.498 20 0 CEADMP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000357073406 154371554 /nfs/dbraw/zinc/37/15/54/154371554.db2.gz LNFNWZKVIORTSW-MRXNPFEDSA-N 2 1 282.403 2.300 20 0 CEADMP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357071036 154373924 /nfs/dbraw/zinc/37/39/24/154373924.db2.gz GGMUUUWXBJGUMQ-SMDDNHRTSA-N 2 1 290.411 2.330 20 0 CEADMP CC(C)COc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359452874 155019757 /nfs/dbraw/zinc/01/97/57/155019757.db2.gz BNENDWZYOARZCQ-HOTGVXAUSA-N 2 1 274.408 2.373 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc2cccnc12 ZINC000359452575 155021235 /nfs/dbraw/zinc/02/12/35/155021235.db2.gz ANJUQYFRZKTUIM-IYBDPMFKSA-N 2 1 267.376 2.194 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000359555956 155052880 /nfs/dbraw/zinc/05/28/80/155052880.db2.gz LIGPIQUAMQAMRY-UONOGXRCSA-N 2 1 295.427 2.167 20 0 CEADMP CC(C)N(C)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000359719191 155120719 /nfs/dbraw/zinc/12/07/19/155120719.db2.gz LEDQAZHSLNCBKV-GDBMZVCRSA-N 2 1 290.455 2.499 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cn1 ZINC000359719191 155120721 /nfs/dbraw/zinc/12/07/21/155120721.db2.gz LEDQAZHSLNCBKV-GDBMZVCRSA-N 2 1 290.455 2.499 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000359719191 155120724 /nfs/dbraw/zinc/12/07/24/155120724.db2.gz LEDQAZHSLNCBKV-GDBMZVCRSA-N 2 1 290.455 2.499 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000359719191 155120726 /nfs/dbraw/zinc/12/07/26/155120726.db2.gz LEDQAZHSLNCBKV-GDBMZVCRSA-N 2 1 290.455 2.499 20 0 CEADMP C[NH+]1CCC[C@@H]1[C@@H]1CCCN1CC[C@H]1CCC[N@@H+]1C ZINC000363451901 156025372 /nfs/dbraw/zinc/02/53/72/156025372.db2.gz YLPQFVMYNIQRMN-OAGGEKHMSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000363451901 156025374 /nfs/dbraw/zinc/02/53/74/156025374.db2.gz YLPQFVMYNIQRMN-OAGGEKHMSA-N 2 1 265.445 2.029 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000363451901 156025378 /nfs/dbraw/zinc/02/53/78/156025378.db2.gz YLPQFVMYNIQRMN-OAGGEKHMSA-N 2 1 265.445 2.029 20 0 CEADMP CCSCC[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000363935425 156054082 /nfs/dbraw/zinc/05/40/82/156054082.db2.gz IGQOLTZOPUWANL-UHFFFAOYSA-N 2 1 293.480 2.431 20 0 CEADMP CC(C)[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000366941077 156105836 /nfs/dbraw/zinc/10/58/36/156105836.db2.gz ORDOSNZHUBGHQP-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP CCn1ccnc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366956883 156109239 /nfs/dbraw/zinc/10/92/39/156109239.db2.gz XFVMKQWTBKIROK-UHFFFAOYSA-N 2 1 276.428 2.211 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cnc2n1CCCC2 ZINC000367437386 156189943 /nfs/dbraw/zinc/18/99/43/156189943.db2.gz IVRBIXDDZINZJR-UMVBOHGHSA-N 2 1 276.428 2.038 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cnc2n1CCCC2 ZINC000367437386 156189953 /nfs/dbraw/zinc/18/99/53/156189953.db2.gz IVRBIXDDZINZJR-UMVBOHGHSA-N 2 1 276.428 2.038 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccn1 ZINC000367539196 156201518 /nfs/dbraw/zinc/20/15/18/156201518.db2.gz XLUIDCDOULNNKH-RBSFLKMASA-N 2 1 275.396 2.053 20 0 CEADMP C[C@H](F)CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000367544186 156202775 /nfs/dbraw/zinc/20/27/75/156202775.db2.gz JLSSDIQEYUBIAV-LBPRGKRZSA-N 2 1 253.365 2.423 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000367609926 156215060 /nfs/dbraw/zinc/21/50/60/156215060.db2.gz YPJHNGJTSREHJE-HIFRSBDPSA-N 2 1 276.428 2.497 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000367609926 156215065 /nfs/dbraw/zinc/21/50/65/156215065.db2.gz YPJHNGJTSREHJE-HIFRSBDPSA-N 2 1 276.428 2.497 20 0 CEADMP CCn1nccc1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367607657 156215263 /nfs/dbraw/zinc/21/52/63/156215263.db2.gz XROYLURPKCZCRQ-XYPWUTKMSA-N 2 1 276.428 2.003 20 0 CEADMP CCn1nccc1CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367607657 156215267 /nfs/dbraw/zinc/21/52/67/156215267.db2.gz XROYLURPKCZCRQ-XYPWUTKMSA-N 2 1 276.428 2.003 20 0 CEADMP CCn1nccc1CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367607657 156215269 /nfs/dbraw/zinc/21/52/69/156215269.db2.gz XROYLURPKCZCRQ-XYPWUTKMSA-N 2 1 276.428 2.003 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1O ZINC000367601381 156215427 /nfs/dbraw/zinc/21/54/27/156215427.db2.gz NVXOZYARAHEHDP-RBSFLKMASA-N 2 1 290.407 2.363 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000367597979 156215604 /nfs/dbraw/zinc/21/56/04/156215604.db2.gz CUOHOBCDGXZVCM-OCCSQVGLSA-N 2 1 262.401 2.109 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000367597979 156215606 /nfs/dbraw/zinc/21/56/06/156215606.db2.gz CUOHOBCDGXZVCM-OCCSQVGLSA-N 2 1 262.401 2.109 20 0 CEADMP C[NH+](C)CCN[C@H]1C[C@H](C2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000367665263 156221403 /nfs/dbraw/zinc/22/14/03/156221403.db2.gz KQUNGGHEUGENKH-ZWKOTPCHSA-N 2 1 287.451 2.191 20 0 CEADMP CCn1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000367687462 156225023 /nfs/dbraw/zinc/22/50/23/156225023.db2.gz NIPDNTLEULXKLT-MRXNPFEDSA-N 2 1 276.428 2.067 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000368174194 156301039 /nfs/dbraw/zinc/30/10/39/156301039.db2.gz DOVMVDPGXHKJQF-AAEUAGOBSA-N 2 1 298.394 2.008 20 0 CEADMP Cc1[nH+]ccn1-c1cncc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000368174194 156301044 /nfs/dbraw/zinc/30/10/44/156301044.db2.gz DOVMVDPGXHKJQF-AAEUAGOBSA-N 2 1 298.394 2.008 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368487579 156355095 /nfs/dbraw/zinc/35/50/95/156355095.db2.gz USZDGRQMTVAOTC-IRXDYDNUSA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368487579 156355097 /nfs/dbraw/zinc/35/50/97/156355097.db2.gz USZDGRQMTVAOTC-IRXDYDNUSA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368487579 156355098 /nfs/dbraw/zinc/35/50/98/156355098.db2.gz USZDGRQMTVAOTC-IRXDYDNUSA-N 2 1 273.424 2.430 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cn3ccccc3n2)[C@H]2CCC[C@H]21 ZINC000375889153 157159129 /nfs/dbraw/zinc/15/91/29/157159129.db2.gz OEVJAELGKFCUBF-IXDOHACOSA-N 2 1 298.434 2.339 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CCCCC3CCOCC3)C[C@@H]2C1 ZINC000375998162 157174362 /nfs/dbraw/zinc/17/43/62/157174362.db2.gz FHPNJZVXMCQQLS-IYBDPMFKSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCCCC3CCOCC3)C[C@@H]2C1 ZINC000375998162 157174366 /nfs/dbraw/zinc/17/43/66/157174366.db2.gz FHPNJZVXMCQQLS-IYBDPMFKSA-N 2 1 266.429 2.077 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCCCC3CCOCC3)C[C@@H]2C1 ZINC000375998162 157174373 /nfs/dbraw/zinc/17/43/73/157174373.db2.gz FHPNJZVXMCQQLS-IYBDPMFKSA-N 2 1 266.429 2.077 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCOCC1 ZINC000532446156 298144282 /nfs/dbraw/zinc/14/42/82/298144282.db2.gz ZIPWTPYJADFTEW-JYJNAYRXSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C1CCOCC1 ZINC000532446156 298144284 /nfs/dbraw/zinc/14/42/84/298144284.db2.gz ZIPWTPYJADFTEW-JYJNAYRXSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000164868475 162337323 /nfs/dbraw/zinc/33/73/23/162337323.db2.gz XESWFYPHWDYBPT-HRCADAONSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000164868475 162337328 /nfs/dbraw/zinc/33/73/28/162337328.db2.gz XESWFYPHWDYBPT-HRCADAONSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000168631297 162365761 /nfs/dbraw/zinc/36/57/61/162365761.db2.gz CNSFNIZVPGUYPJ-UKRRQHHQSA-N 2 1 270.380 2.041 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000168631297 162365765 /nfs/dbraw/zinc/36/57/65/162365765.db2.gz CNSFNIZVPGUYPJ-UKRRQHHQSA-N 2 1 270.380 2.041 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000168620141 162367141 /nfs/dbraw/zinc/36/71/41/162367141.db2.gz QAFAOYXBHYOFEV-KGLIPLIRSA-N 2 1 278.396 2.133 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000167077580 165035744 /nfs/dbraw/zinc/03/57/44/165035744.db2.gz LMABNPKFGYZUTR-QZWWFDLISA-N 2 1 296.455 2.035 20 0 CEADMP Cc1ncsc1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172652070 165063059 /nfs/dbraw/zinc/06/30/59/165063059.db2.gz FCJKWWJHJOSHLK-CQSZACIVSA-N 2 1 279.453 2.412 20 0 CEADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CCC1 ZINC000178738483 165255694 /nfs/dbraw/zinc/25/56/94/165255694.db2.gz UABPKFVWBZMPHZ-CQSZACIVSA-N 2 1 267.461 2.038 20 0 CEADMP COc1ccc(COCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000179463589 165280540 /nfs/dbraw/zinc/28/05/40/165280540.db2.gz JUUCIWBNZLHJEL-GOEBONIOSA-N 2 1 292.423 2.284 20 0 CEADMP C[NH+]1CCC([NH2+]CCCN2CCc3ccccc32)CC1 ZINC000020202286 171066357 /nfs/dbraw/zinc/06/63/57/171066357.db2.gz NFUKVVZQQGMMKQ-UHFFFAOYSA-N 2 1 273.424 2.123 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCOC1(C)C ZINC000328403073 287268346 /nfs/dbraw/zinc/26/83/46/287268346.db2.gz SDEHGIANEOQAIX-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1ccc(C)c(OCCC[N@@H+]2CCC[NH2+]CC2)c1 ZINC000037365323 173154333 /nfs/dbraw/zinc/15/43/33/173154333.db2.gz XUQVABSZWAIKDL-UHFFFAOYSA-N 2 1 262.397 2.368 20 0 CEADMP Cc1ccc(C)c(OCCC[N@H+]2CCC[NH2+]CC2)c1 ZINC000037365323 173154335 /nfs/dbraw/zinc/15/43/35/173154335.db2.gz XUQVABSZWAIKDL-UHFFFAOYSA-N 2 1 262.397 2.368 20 0 CEADMP Cc1nn(C)c(C)c1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000037997595 173959953 /nfs/dbraw/zinc/95/99/53/173959953.db2.gz KQMKPYBQRXVKMH-ZDUSSCGKSA-N 2 1 278.444 2.249 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000038041982 174044597 /nfs/dbraw/zinc/04/45/97/174044597.db2.gz MLJHPBDNCWGYII-GFCCVEGCSA-N 2 1 264.417 2.238 20 0 CEADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)([NH+](C)C)C1 ZINC000401122818 414750325 /nfs/dbraw/zinc/75/03/25/414750325.db2.gz KFWFXNNORHKPOF-SFFUCWETSA-N 3 1 293.499 2.475 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)CN(C)CC1(c2ccccc2)CC1 ZINC000660367815 414786627 /nfs/dbraw/zinc/78/66/27/414786627.db2.gz RISMVWDOGIZRNS-QGZVFWFLSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CC1(c2ccccc2)CC1 ZINC000660367815 414786630 /nfs/dbraw/zinc/78/66/30/414786630.db2.gz RISMVWDOGIZRNS-QGZVFWFLSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CC1(c2ccccc2)CC1 ZINC000660367815 414786637 /nfs/dbraw/zinc/78/66/37/414786637.db2.gz RISMVWDOGIZRNS-QGZVFWFLSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CC1(c2ccccc2)CC1 ZINC000660367815 414786643 /nfs/dbraw/zinc/78/66/43/414786643.db2.gz RISMVWDOGIZRNS-QGZVFWFLSA-N 2 1 290.451 2.351 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000660367815 414786649 /nfs/dbraw/zinc/78/66/49/414786649.db2.gz RISMVWDOGIZRNS-QGZVFWFLSA-N 2 1 290.451 2.351 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)CC[C@@H]1[NH3+] ZINC000122794623 414791766 /nfs/dbraw/zinc/79/17/66/414791766.db2.gz LZGPTWFAGSFVNT-WBVHZDCISA-N 2 1 284.407 2.432 20 0 CEADMP C[N@@H+](CCC[NH3+])CCCc1nc(-c2cccs2)no1 ZINC000123276187 414793794 /nfs/dbraw/zinc/79/37/94/414793794.db2.gz JGAJKLRFYZZREU-UHFFFAOYSA-N 2 1 280.397 2.011 20 0 CEADMP CO[C@@H](C[N@@H+](C)CCC[NH+]1CCCC1)C1CCC1 ZINC000660464390 414835038 /nfs/dbraw/zinc/83/50/38/414835038.db2.gz PDFSUWQRFVXVNA-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP CN(CCC[NH2+]Cc1cnc2n1CCC2)Cc1ccccc1 ZINC000657295914 414839732 /nfs/dbraw/zinc/83/97/32/414839732.db2.gz NSQPJCADUQSJKC-UHFFFAOYSA-N 2 1 298.434 2.441 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657311680 414851990 /nfs/dbraw/zinc/85/19/90/414851990.db2.gz RHXOMMSAGKJMSA-HNNXBMFYSA-N 2 1 290.455 2.431 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C12CCCC2 ZINC000660526175 414858304 /nfs/dbraw/zinc/85/83/04/414858304.db2.gz PTOXLLYRXXYEEE-ARFHVFGLSA-N 2 1 298.471 2.015 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C12CCCC2 ZINC000660526176 414858390 /nfs/dbraw/zinc/85/83/90/414858390.db2.gz PTOXLLYRXXYEEE-BZUAXINKSA-N 2 1 298.471 2.015 20 0 CEADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000311626417 414859835 /nfs/dbraw/zinc/85/98/35/414859835.db2.gz YBROUGJVXCVZIA-HOCLYGCPSA-N 2 1 260.381 2.256 20 0 CEADMP CC(C)c1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000663315415 414911051 /nfs/dbraw/zinc/91/10/51/414911051.db2.gz GYSWVNMPWODJAY-KRWDZBQOSA-N 2 1 276.424 2.356 20 0 CEADMP CC[NH+](CC)CCCNc1cc(CO)cc(C)[nH+]1 ZINC000663316263 414912766 /nfs/dbraw/zinc/91/27/66/414912766.db2.gz UTRUCWAJZFWFCC-UHFFFAOYSA-N 2 1 251.374 2.026 20 0 CEADMP CCCCOCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654336 414917974 /nfs/dbraw/zinc/91/79/74/414917974.db2.gz FNMDEAVHXDEARF-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP CCCCOCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654336 414917979 /nfs/dbraw/zinc/91/79/79/414917979.db2.gz FNMDEAVHXDEARF-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP CCCCOCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654336 414917982 /nfs/dbraw/zinc/91/79/82/414917982.db2.gz FNMDEAVHXDEARF-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663343654 414922075 /nfs/dbraw/zinc/92/20/75/414922075.db2.gz AJNMAKQAARXXNN-HNNXBMFYSA-N 2 1 288.439 2.251 20 0 CEADMP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663343654 414922078 /nfs/dbraw/zinc/92/20/78/414922078.db2.gz AJNMAKQAARXXNN-HNNXBMFYSA-N 2 1 288.439 2.251 20 0 CEADMP CCn1nccc1C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000663348892 414924063 /nfs/dbraw/zinc/92/40/63/414924063.db2.gz NEGDGMCJJWATDX-UHFFFAOYSA-N 2 1 296.378 2.082 20 0 CEADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663346234 414924887 /nfs/dbraw/zinc/92/48/87/414924887.db2.gz RFVZZHNNNQQPIF-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663346234 414924893 /nfs/dbraw/zinc/92/48/93/414924893.db2.gz RFVZZHNNNQQPIF-OAHLLOKOSA-N 2 1 276.428 2.115 20 0 CEADMP C[NH+](C)CC1(C[NH2+]Cc2cnc3n2CCC3)CCCC1 ZINC000657434157 414933186 /nfs/dbraw/zinc/93/31/86/414933186.db2.gz GWUQWCQPXLCYLK-UHFFFAOYSA-N 2 1 276.428 2.041 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(C2CC2)cnn1C ZINC000657347505 414874375 /nfs/dbraw/zinc/87/43/75/414874375.db2.gz UTKLCTIFULSMKQ-LBPRGKRZSA-N 2 1 287.411 2.228 20 0 CEADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2c[nH+]cn2c1 ZINC000654314425 414903590 /nfs/dbraw/zinc/90/35/90/414903590.db2.gz IKVSLOZETXTELS-HZPDHXFCSA-N 2 1 298.390 2.081 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000660776149 414970192 /nfs/dbraw/zinc/97/01/92/414970192.db2.gz HDEKBUNHWPWHPI-DOTOQJQBSA-N 2 1 293.455 2.084 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](CC(F)(F)F)C2)CC[NH2+]1 ZINC000663506995 414975512 /nfs/dbraw/zinc/97/55/12/414975512.db2.gz QTLYNGCDYQQFLU-GRYCIOLGSA-N 2 1 280.334 2.028 20 0 CEADMP CC[N@@H+](CCCNC(=O)C[NH2+]CC1CC1)C1CCCCC1 ZINC000653200913 414944936 /nfs/dbraw/zinc/94/49/36/414944936.db2.gz UECYGIZMFAPPOD-UHFFFAOYSA-N 2 1 295.471 2.147 20 0 CEADMP C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463585 414961052 /nfs/dbraw/zinc/96/10/52/414961052.db2.gz AGSIVTGJUCHMIY-INIZCTEOSA-N 2 1 291.483 2.325 20 0 CEADMP C([NH2+]C1CCN(C2CC2)CC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663463585 414961057 /nfs/dbraw/zinc/96/10/57/414961057.db2.gz AGSIVTGJUCHMIY-INIZCTEOSA-N 2 1 291.483 2.325 20 0 CEADMP C([NH2+]C1CCN(C2CC2)CC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663463585 414961060 /nfs/dbraw/zinc/96/10/60/414961060.db2.gz AGSIVTGJUCHMIY-INIZCTEOSA-N 2 1 291.483 2.325 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000657488030 414966224 /nfs/dbraw/zinc/96/62/24/414966224.db2.gz NOASJGOLQYKFCZ-UHFFFAOYSA-N 2 1 276.428 2.262 20 0 CEADMP CC1(C)OCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657787064 415080229 /nfs/dbraw/zinc/08/02/29/415080229.db2.gz QXPGRMMWKKWYIQ-RDBSUJKOSA-N 2 1 252.402 2.018 20 0 CEADMP c1ccc(CN2CC[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000657805661 415086434 /nfs/dbraw/zinc/08/64/34/415086434.db2.gz DXKLFCFQNLJYIO-IPMKNSEASA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[NH+]2CC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000657805661 415086435 /nfs/dbraw/zinc/08/64/35/415086435.db2.gz DXKLFCFQNLJYIO-IPMKNSEASA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[NH+]2CC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000657805661 415086437 /nfs/dbraw/zinc/08/64/37/415086437.db2.gz DXKLFCFQNLJYIO-IPMKNSEASA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H]2CN[C@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000657805661 415086438 /nfs/dbraw/zinc/08/64/38/415086438.db2.gz DXKLFCFQNLJYIO-IPMKNSEASA-N 2 1 299.462 2.477 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@@H]2CN[C@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000657805661 415086440 /nfs/dbraw/zinc/08/64/40/415086440.db2.gz DXKLFCFQNLJYIO-IPMKNSEASA-N 2 1 299.462 2.477 20 0 CEADMP CCO[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@H]1C ZINC000653747881 415091445 /nfs/dbraw/zinc/09/14/45/415091445.db2.gz NZOSTIDRUHYCJR-HIFRSBDPSA-N 2 1 265.401 2.100 20 0 CEADMP CCO[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1C ZINC000653747881 415091448 /nfs/dbraw/zinc/09/14/48/415091448.db2.gz NZOSTIDRUHYCJR-HIFRSBDPSA-N 2 1 265.401 2.100 20 0 CEADMP CC(C)(C)OCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657638367 415033224 /nfs/dbraw/zinc/03/32/24/415033224.db2.gz NVOIKWDRFGCZQH-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(c2[nH+]ccc3[nH]ccc32)C[C@H]1C ZINC000663759959 415040324 /nfs/dbraw/zinc/04/03/24/415040324.db2.gz OSXQIKTWMGHNCW-VXGBXAGGSA-N 2 1 258.369 2.482 20 0 CEADMP CCOC1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000657835700 415101490 /nfs/dbraw/zinc/10/14/90/415101490.db2.gz QOKPGIWGLSSKIZ-VQCLRJIVSA-N 2 1 266.429 2.408 20 0 CEADMP C1C[N@@H+]2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657838205 415101556 /nfs/dbraw/zinc/10/15/56/415101556.db2.gz OVUNLJHBJHLOCW-MCIONIFRSA-N 2 1 254.443 2.489 20 0 CEADMP C1C[N@H+]2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657838205 415101557 /nfs/dbraw/zinc/10/15/57/415101557.db2.gz OVUNLJHBJHLOCW-MCIONIFRSA-N 2 1 254.443 2.489 20 0 CEADMP C[C@@H](C[NH2+][C@H]1CCCn2nccc21)C[NH+]1CCCCC1 ZINC000657845395 415101944 /nfs/dbraw/zinc/10/19/44/415101944.db2.gz WEPXPBIBHLXESR-GJZGRUSLSA-N 2 1 276.428 2.430 20 0 CEADMP CC(C)[C@H]([NH2+]CCCc1c[nH+]cn1C)C1(CO)CC=CC1 ZINC000653777123 415102412 /nfs/dbraw/zinc/10/24/12/415102412.db2.gz JNUCERPPGVQYCB-INIZCTEOSA-N 2 1 291.439 2.296 20 0 CEADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C(C)(C)C(F)F ZINC000657874034 415109720 /nfs/dbraw/zinc/10/97/20/415109720.db2.gz XVABLJJNVGLDBZ-CYBMUJFWSA-N 2 1 291.430 2.283 20 0 CEADMP COC1([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CCC1 ZINC000657993048 415147626 /nfs/dbraw/zinc/14/76/26/415147626.db2.gz VQGWVUJABNOXJX-HUUCEWRRSA-N 2 1 284.444 2.035 20 0 CEADMP COC1([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCC1 ZINC000657993048 415147632 /nfs/dbraw/zinc/14/76/32/415147632.db2.gz VQGWVUJABNOXJX-HUUCEWRRSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666599 287297860 /nfs/dbraw/zinc/29/78/60/287297860.db2.gz MIEXJTZITCVDFG-TUVASFSCSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666599 287297863 /nfs/dbraw/zinc/29/78/63/287297863.db2.gz MIEXJTZITCVDFG-TUVASFSCSA-N 2 1 252.402 2.018 20 0 CEADMP CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000658160270 415239758 /nfs/dbraw/zinc/23/97/58/415239758.db2.gz FAWSFFIYUIECLW-KJWHEZOQSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@]1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(F)F ZINC000658222502 415262672 /nfs/dbraw/zinc/26/26/72/415262672.db2.gz OUIZTHWCMDDCLP-KBPBESRZSA-N 2 1 288.382 2.265 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661440426 415266909 /nfs/dbraw/zinc/26/69/09/415266909.db2.gz CQHWEVWNNJEOFK-UKRRQHHQSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661440426 415266915 /nfs/dbraw/zinc/26/69/15/415266915.db2.gz CQHWEVWNNJEOFK-UKRRQHHQSA-N 2 1 265.401 2.065 20 0 CEADMP COC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(OC)c1 ZINC000661473737 415279411 /nfs/dbraw/zinc/27/94/11/415279411.db2.gz RIYIFQGOQXWFTR-RDJZCZTQSA-N 2 1 292.423 2.457 20 0 CEADMP COC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(OC)c1 ZINC000661473737 415279417 /nfs/dbraw/zinc/27/94/17/415279417.db2.gz RIYIFQGOQXWFTR-RDJZCZTQSA-N 2 1 292.423 2.457 20 0 CEADMP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000658304051 415306543 /nfs/dbraw/zinc/30/65/43/415306543.db2.gz DOUHBNOZCGRCKA-HUUCEWRRSA-N 2 1 295.471 2.145 20 0 CEADMP C[C@H]1c2ccccc2C[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000661517369 415309007 /nfs/dbraw/zinc/30/90/07/415309007.db2.gz MEKQSEAUNYAGMR-BLLLJJGKSA-N 2 1 255.365 2.281 20 0 CEADMP OC[C@@H]1C[N@@H+](CCCn2ccnc2)CC[C@@H]1c1ccccc1 ZINC000661666103 415392328 /nfs/dbraw/zinc/39/23/28/415392328.db2.gz RXGMDPOTOUXPOM-ZWKOTPCHSA-N 2 1 299.418 2.371 20 0 CEADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000655698453 415393745 /nfs/dbraw/zinc/39/37/45/415393745.db2.gz DOIXKSAALWXKRZ-IRXDYDNUSA-N 2 1 288.435 2.337 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655709134 415400366 /nfs/dbraw/zinc/40/03/66/415400366.db2.gz SEWCYVGFUBGYPR-TZMCWYRMSA-N 2 1 273.384 2.149 20 0 CEADMP CC(C)(C)C[C@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655735798 415422606 /nfs/dbraw/zinc/42/26/06/415422606.db2.gz YQANICMOSUASTK-HZPDHXFCSA-N 2 1 298.471 2.017 20 0 CEADMP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)O ZINC000655760187 415440372 /nfs/dbraw/zinc/44/03/72/415440372.db2.gz LQCKPZYFSVYHGY-HOTGVXAUSA-N 2 1 298.471 2.015 20 0 CEADMP COCC1(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000655770334 415448745 /nfs/dbraw/zinc/44/87/45/415448745.db2.gz HYLAWDKIKAUXPH-INIZCTEOSA-N 2 1 296.455 2.036 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000664718646 415459330 /nfs/dbraw/zinc/45/93/30/415459330.db2.gz GNIZBNRTSFNSMQ-CQSZACIVSA-N 2 1 297.487 2.249 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCCc1c(F)cccc1F ZINC000655939270 415560489 /nfs/dbraw/zinc/56/04/89/415560489.db2.gz FMJKUJUOMCMSCE-UHFFFAOYSA-N 2 1 256.340 2.439 20 0 CEADMP CC(C)C[C@@H](CN1CCCC1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656199073 415633938 /nfs/dbraw/zinc/63/39/38/415633938.db2.gz JXGORWKWTSAMHR-JYJNAYRXSA-N 2 1 267.461 2.356 20 0 CEADMP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000665304418 415691260 /nfs/dbraw/zinc/69/12/60/415691260.db2.gz ZRPDVIBEHWFAQH-XUWVNRHRSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000662155500 415663363 /nfs/dbraw/zinc/66/33/63/415663363.db2.gz JPZUOWZLNXQZTQ-QAPCUYQASA-N 2 1 288.435 2.321 20 0 CEADMP c1[nH+]c(NC2CC[NH+]([C@H]3CCOC3)CC2)cc2c1CCC2 ZINC000656263060 415665110 /nfs/dbraw/zinc/66/51/10/415665110.db2.gz ZHCRRGPCGGBGDI-INIZCTEOSA-N 2 1 287.407 2.236 20 0 CEADMP CO[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000665275003 415668310 /nfs/dbraw/zinc/66/83/10/415668310.db2.gz AJUMCNWVKOJZSC-YUELXQCFSA-N 2 1 254.418 2.312 20 0 CEADMP C[NH2+]C[C@H](C)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665297320 415686565 /nfs/dbraw/zinc/68/65/65/415686565.db2.gz DCUZIENLAQAZQB-ZOBUZTSGSA-N 2 1 275.440 2.095 20 0 CEADMP N[C@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300081 415687213 /nfs/dbraw/zinc/68/72/13/415687213.db2.gz YARAKZNLSZITKD-IRXDYDNUSA-N 2 1 279.472 2.358 20 0 CEADMP N[C@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300079 415688479 /nfs/dbraw/zinc/68/84/79/415688479.db2.gz YARAKZNLSZITKD-DLBZAZTESA-N 2 1 279.472 2.358 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000071142366 176040110 /nfs/dbraw/zinc/04/01/10/176040110.db2.gz ZOVHAILXUTYFHK-ZDUSSCGKSA-N 2 1 250.411 2.450 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(SC)cc2)C1 ZINC000071142366 176040111 /nfs/dbraw/zinc/04/01/11/176040111.db2.gz ZOVHAILXUTYFHK-ZDUSSCGKSA-N 2 1 250.411 2.450 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000071146253 176042314 /nfs/dbraw/zinc/04/23/14/176042314.db2.gz ZZVKXHKJQNAJSE-LBPRGKRZSA-N 2 1 273.355 2.415 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000071146253 176042315 /nfs/dbraw/zinc/04/23/15/176042315.db2.gz ZZVKXHKJQNAJSE-LBPRGKRZSA-N 2 1 273.355 2.415 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2cc(C)ccc2C)C1 ZINC000071147386 176043351 /nfs/dbraw/zinc/04/33/51/176043351.db2.gz UCVOUYCXHYGMAG-OAHLLOKOSA-N 2 1 262.397 2.224 20 0 CEADMP Oc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662252622 415718031 /nfs/dbraw/zinc/71/80/31/415718031.db2.gz BYZMMUWPMRYVJC-HOTGVXAUSA-N 2 1 288.391 2.050 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254747 415720311 /nfs/dbraw/zinc/72/03/11/415720311.db2.gz KXWZOXRSSKFYLX-RDBSUJKOSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H]1CCCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254769 415721557 /nfs/dbraw/zinc/72/15/57/415721557.db2.gz LIWQWPWQWHMCML-KBPBESRZSA-N 2 1 252.402 2.162 20 0 CEADMP Clc1cccc2c1CC[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662257026 415724236 /nfs/dbraw/zinc/72/42/36/415724236.db2.gz LPAGLGRXOUJURB-CYBMUJFWSA-N 2 1 292.810 2.219 20 0 CEADMP Clc1cccc2c1CC[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662257026 415724243 /nfs/dbraw/zinc/72/42/43/415724243.db2.gz LPAGLGRXOUJURB-CYBMUJFWSA-N 2 1 292.810 2.219 20 0 CEADMP CC[N@@H+](Cc1cnn(C)c1)Cc1cccc2c1CC[NH2+]C2 ZINC000662260129 415727245 /nfs/dbraw/zinc/72/72/45/415727245.db2.gz IDKOBCOJLZNXOI-UHFFFAOYSA-N 2 1 284.407 2.088 20 0 CEADMP c1ccc2c(c1)CN(CC[NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000656474039 415727479 /nfs/dbraw/zinc/72/74/79/415727479.db2.gz CDNIGJIPPPBKKL-UHFFFAOYSA-N 2 1 285.435 2.219 20 0 CEADMP C[C@]1(c2ccccc2)CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258748 415729820 /nfs/dbraw/zinc/72/98/20/415729820.db2.gz ZOYPLDXIGULLGJ-SJORKVTESA-N 2 1 286.419 2.171 20 0 CEADMP CC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCC[NH2+]CC1 ZINC000662266268 415731209 /nfs/dbraw/zinc/73/12/09/415731209.db2.gz GGZUHIUAXSCKCX-QGZVFWFLSA-N 3 1 287.451 2.296 20 0 CEADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662265653 415732513 /nfs/dbraw/zinc/73/25/13/415732513.db2.gz SNFGZOMSKNCIIL-SJPCQFCGSA-N 3 1 285.435 2.047 20 0 CEADMP CN(Cc1cccc2c1CC[NH2+]C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662265653 415732519 /nfs/dbraw/zinc/73/25/19/415732519.db2.gz SNFGZOMSKNCIIL-SJPCQFCGSA-N 2 1 285.435 2.047 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1CCC1 ZINC000662266422 415732855 /nfs/dbraw/zinc/73/28/55/415732855.db2.gz YLENFBHEENQTHG-ARFHVFGLSA-N 2 1 266.429 2.266 20 0 CEADMP COc1cccc(SCC[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000662266852 415733263 /nfs/dbraw/zinc/73/32/63/415733263.db2.gz PNPYEPCODAWKDY-QWHCGFSZSA-N 2 1 280.437 2.456 20 0 CEADMP CC1CCC([N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248617 415709287 /nfs/dbraw/zinc/70/92/87/415709287.db2.gz HTJMEZHCDQYKBG-JXQTWKCFSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)CC1CCCCC1 ZINC000662248564 415712494 /nfs/dbraw/zinc/71/24/94/415712494.db2.gz GBERSRUQTIFLEN-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP C[NH2+][C@@H](C)c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656456288 415714813 /nfs/dbraw/zinc/71/48/13/415714813.db2.gz XCUZVDHEQGCWMI-ZFWWWQNUSA-N 2 1 285.395 2.006 20 0 CEADMP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000662253179 415714898 /nfs/dbraw/zinc/71/48/98/415714898.db2.gz SIJCZFMUUHZHDF-LSDHHAIUSA-N 2 1 264.413 2.162 20 0 CEADMP CC[C@@](C)([NH3+])c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455505 415714950 /nfs/dbraw/zinc/71/49/50/415714950.db2.gz JUCVNDBAFSLFRQ-NVXWUHKLSA-N 2 1 299.422 2.309 20 0 CEADMP c1ccc(C[C@H]2CC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662251167 415715770 /nfs/dbraw/zinc/71/57/70/415715770.db2.gz AIUBHNQHNHUMKY-IAGOWNOFSA-N 2 1 286.419 2.072 20 0 CEADMP Cc1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)ncn1 ZINC000662274277 415739588 /nfs/dbraw/zinc/73/95/88/415739588.db2.gz TZHUIITWDCSXTD-UHFFFAOYSA-N 2 1 262.401 2.126 20 0 CEADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662277800 415744851 /nfs/dbraw/zinc/74/48/51/415744851.db2.gz UKEFBZPJBYQKDC-MCIONIFRSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCc2ccccc21 ZINC000662282936 415748343 /nfs/dbraw/zinc/74/83/43/415748343.db2.gz DSUQUDVZMVYEAT-ZBFHGGJFSA-N 2 1 286.419 2.169 20 0 CEADMP O[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](n3ccnc3)C2)C1 ZINC000659882251 415761315 /nfs/dbraw/zinc/76/13/15/415761315.db2.gz FRUPOEFSEVKWIQ-RRFJBIMHSA-N 2 1 263.385 2.071 20 0 CEADMP CCCc1noc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662298694 415763555 /nfs/dbraw/zinc/76/35/55/415763555.db2.gz WVPMYCHFQVLQFW-CQSZACIVSA-N 2 1 292.427 2.234 20 0 CEADMP [NH3+]CC12CC(C1)C[N@@H+]2CCCOCc1ccccc1 ZINC000662305313 415766969 /nfs/dbraw/zinc/76/69/69/415766969.db2.gz HVYWWBKWLWFZLX-UHFFFAOYSA-N 2 1 260.381 2.016 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@H+](CCc2ccccc2F)CCO1 ZINC000662321331 415778077 /nfs/dbraw/zinc/77/80/77/415778077.db2.gz BLOFCHWHBBDHOT-INIZCTEOSA-N 2 1 294.414 2.411 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCc2ccccc2F)CCO1 ZINC000662321331 415778084 /nfs/dbraw/zinc/77/80/84/415778084.db2.gz BLOFCHWHBBDHOT-INIZCTEOSA-N 2 1 294.414 2.411 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)c1ccccc1 ZINC000659874472 415753796 /nfs/dbraw/zinc/75/37/96/415753796.db2.gz OUXPXILTGAPLDO-NVXWUHKLSA-N 2 1 278.440 2.423 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](C)c1ccccc1 ZINC000659874472 415753799 /nfs/dbraw/zinc/75/37/99/415753799.db2.gz OUXPXILTGAPLDO-NVXWUHKLSA-N 2 1 278.440 2.423 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000659874472 415753803 /nfs/dbraw/zinc/75/38/03/415753803.db2.gz OUXPXILTGAPLDO-NVXWUHKLSA-N 2 1 278.440 2.423 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000659874472 415753808 /nfs/dbraw/zinc/75/38/08/415753808.db2.gz OUXPXILTGAPLDO-NVXWUHKLSA-N 2 1 278.440 2.423 20 0 CEADMP CCCc1noc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662291935 415756673 /nfs/dbraw/zinc/75/66/73/415756673.db2.gz ZOFVEXLDDFXEAJ-CQSZACIVSA-N 2 1 292.427 2.234 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000659989883 415831498 /nfs/dbraw/zinc/83/14/98/415831498.db2.gz VHMKAGVMLLAWBS-ULQDDVLXSA-N 2 1 281.488 2.238 20 0 CEADMP CC/C=C/CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325805 415780863 /nfs/dbraw/zinc/78/08/63/415780863.db2.gz PYYWLTAYFKEBPT-NFAHFFEMSA-N 2 1 254.418 2.385 20 0 CEADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662323493 415781858 /nfs/dbraw/zinc/78/18/58/415781858.db2.gz RIFKFSUWUIWYCL-HOTGVXAUSA-N 2 1 268.445 2.249 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CCO1 ZINC000662323693 415782815 /nfs/dbraw/zinc/78/28/15/415782815.db2.gz PHUOKGSNHVZTRR-KGLIPLIRSA-N 2 1 290.398 2.464 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000659957901 415807346 /nfs/dbraw/zinc/80/73/46/415807346.db2.gz YVIHWGHUNJXDQB-DLBZAZTESA-N 2 1 298.471 2.111 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000659957901 415807351 /nfs/dbraw/zinc/80/73/51/415807351.db2.gz YVIHWGHUNJXDQB-DLBZAZTESA-N 2 1 298.471 2.111 20 0 CEADMP CC1(C)C[C@H]([N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CO1 ZINC000659957396 415807928 /nfs/dbraw/zinc/80/79/28/415807928.db2.gz RDLRWSXYVVPMEB-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccc(OC)cc1 ZINC000656689720 415813386 /nfs/dbraw/zinc/81/33/86/415813386.db2.gz BGDHUQWTAHBKSM-WBVHZDCISA-N 2 1 294.439 2.437 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccc(OC)cc1 ZINC000656689720 415813388 /nfs/dbraw/zinc/81/33/88/415813388.db2.gz BGDHUQWTAHBKSM-WBVHZDCISA-N 2 1 294.439 2.437 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC1CC=CC1 ZINC000660118234 415888894 /nfs/dbraw/zinc/88/88/94/415888894.db2.gz SWTLFEHLTDZRSQ-BZUAXINKSA-N 2 1 264.413 2.136 20 0 CEADMP CC[C@@H](CC(F)F)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000660144411 415901282 /nfs/dbraw/zinc/90/12/82/415901282.db2.gz AMWIJTGKAMPYPJ-AWEZNQCLSA-N 2 1 291.430 2.237 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000662619865 415906383 /nfs/dbraw/zinc/90/63/83/415906383.db2.gz PYCJDKWKKZCQEW-GJZGRUSLSA-N 2 1 295.471 2.273 20 0 CEADMP CC(C)=CCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000660156901 415906954 /nfs/dbraw/zinc/90/69/54/415906954.db2.gz SGUXRXOGXOKXDV-IRXDYDNUSA-N 2 1 279.472 2.301 20 0 CEADMP C([C@@H]1CCSC1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783299 415860283 /nfs/dbraw/zinc/86/02/83/415860283.db2.gz OOYDMOFEADUSLV-ZFWWWQNUSA-N 2 1 268.470 2.451 20 0 CEADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784785 415860424 /nfs/dbraw/zinc/86/04/24/415860424.db2.gz HGRPZPWSWPXYSI-INIZCTEOSA-N 2 1 290.455 2.249 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662734337 415948645 /nfs/dbraw/zinc/94/86/45/415948645.db2.gz FMATVQNSOKHUII-HNNXBMFYSA-N 2 1 293.455 2.042 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2[NH2+]CCC2(C)C)C1 ZINC000662695301 415932910 /nfs/dbraw/zinc/93/29/10/415932910.db2.gz JMKUZLBQTCEDMZ-UONOGXRCSA-N 2 1 295.471 2.001 20 0 CEADMP C[N@H+]1CCC[C@H](CNC(N)=[NH2+])[C@@H]1c1cccc(Cl)c1 ZINC000077965816 177313182 /nfs/dbraw/zinc/31/31/82/177313182.db2.gz ASHIAASCEHRWSL-YPMHNXCESA-N 2 1 280.803 2.206 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000360234351 287345212 /nfs/dbraw/zinc/34/52/12/287345212.db2.gz MYHIRZVMZCJNIZ-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000360234351 287345213 /nfs/dbraw/zinc/34/52/13/287345213.db2.gz MYHIRZVMZCJNIZ-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000360234351 287345215 /nfs/dbraw/zinc/34/52/15/287345215.db2.gz MYHIRZVMZCJNIZ-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP COCC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCCSC1 ZINC000566569078 299004609 /nfs/dbraw/zinc/00/46/09/299004609.db2.gz HMMZZWZRHOARMR-OAHLLOKOSA-N 2 1 297.468 2.197 20 0 CEADMP COCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCCSC1 ZINC000566569078 299004611 /nfs/dbraw/zinc/00/46/11/299004611.db2.gz HMMZZWZRHOARMR-OAHLLOKOSA-N 2 1 297.468 2.197 20 0 CEADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000566737250 299018848 /nfs/dbraw/zinc/01/88/48/299018848.db2.gz FVYJQKXTWKCKKZ-OCCSQVGLSA-N 2 1 285.391 2.413 20 0 CEADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000566737250 299018852 /nfs/dbraw/zinc/01/88/52/299018852.db2.gz FVYJQKXTWKCKKZ-OCCSQVGLSA-N 2 1 285.391 2.413 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000666753680 419417000 /nfs/dbraw/zinc/41/70/00/419417000.db2.gz RDESBXYMDTZGKF-UHFFFAOYSA-N 3 1 293.455 2.234 20 0 CEADMP FC(F)(F)c1cccnc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000666764646 419422777 /nfs/dbraw/zinc/42/27/77/419422777.db2.gz NLAUJHGETHDPEH-SNVBAGLBSA-N 2 1 273.302 2.190 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1O ZINC000666770615 419425307 /nfs/dbraw/zinc/42/53/07/419425307.db2.gz NAPGPNHFLMNNGS-DZGCQCFKSA-N 2 1 292.423 2.454 20 0 CEADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770444 419425712 /nfs/dbraw/zinc/42/57/12/419425712.db2.gz AGTVOFWAXOCRIV-JSGCOSHPSA-N 2 1 250.361 2.488 20 0 CEADMP COc1cccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1F ZINC000666901583 419460310 /nfs/dbraw/zinc/46/03/10/419460310.db2.gz UHAJMNHNQMJFGV-CYBMUJFWSA-N 2 1 266.360 2.312 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000179446861 260048653 /nfs/dbraw/zinc/04/86/53/260048653.db2.gz IWHKFKAWWIIMFK-KGLIPLIRSA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@](C)(O)C2CCCCC2)CC1 ZINC000188660587 262335721 /nfs/dbraw/zinc/33/57/21/262335721.db2.gz OGERRIHASOVTNQ-HNNXBMFYSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355202652 262354311 /nfs/dbraw/zinc/35/43/11/262354311.db2.gz POYPSMPATUMUFV-AEFFLSMTSA-N 2 1 298.434 2.383 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000453104507 263189472 /nfs/dbraw/zinc/18/94/72/263189472.db2.gz UJSFGPVJIHGKGD-IXDOHACOSA-N 2 1 281.488 2.428 20 0 CEADMP C[N@H+]1CC[C@H](NCC[NH+]2CCCC2(C)C)[C@@H]2CCC[C@@H]21 ZINC000453395920 263263353 /nfs/dbraw/zinc/26/33/53/263263353.db2.gz KAOUJLZUXBXCIA-JYJNAYRXSA-N 2 1 279.472 2.323 20 0 CEADMP C[NH+]1CC[C@H](NCC[N@@H+]2CCCC2(C)C)[C@@H]2CCC[C@@H]21 ZINC000453395920 263263355 /nfs/dbraw/zinc/26/33/55/263263355.db2.gz KAOUJLZUXBXCIA-JYJNAYRXSA-N 2 1 279.472 2.323 20 0 CEADMP CO[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000425402304 264282108 /nfs/dbraw/zinc/28/21/08/264282108.db2.gz GHZMIUUQAMUUKM-MRXNPFEDSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H](O)Cc2ccccc2)CC[N@@H+]1C ZINC000425423005 264313129 /nfs/dbraw/zinc/31/31/29/264313129.db2.gz NNDYUVWDXSRMSR-XIRDDKMYSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H](O)Cc2ccccc2)CC[N@H+]1C ZINC000425423005 264313130 /nfs/dbraw/zinc/31/31/30/264313130.db2.gz NNDYUVWDXSRMSR-XIRDDKMYSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)Cc2ccccc2)CC[NH+]1C ZINC000425423005 264313131 /nfs/dbraw/zinc/31/31/31/264313131.db2.gz NNDYUVWDXSRMSR-XIRDDKMYSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2)CC[NH+]1C ZINC000425423005 264313132 /nfs/dbraw/zinc/31/31/32/264313132.db2.gz NNDYUVWDXSRMSR-XIRDDKMYSA-N 2 1 276.424 2.005 20 0 CEADMP CO[C@H](C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)C1CC1 ZINC000425424307 264314038 /nfs/dbraw/zinc/31/40/38/264314038.db2.gz WSAQKPUQRDRCEQ-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@H](C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000425424307 264314039 /nfs/dbraw/zinc/31/40/39/264314039.db2.gz WSAQKPUQRDRCEQ-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP CO[C@H](C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000425424307 264314040 /nfs/dbraw/zinc/31/40/40/264314040.db2.gz WSAQKPUQRDRCEQ-LSDHHAIUSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000192781991 270280315 /nfs/dbraw/zinc/28/03/15/270280315.db2.gz GOXDOZVOWPDMEA-IRXDYDNUSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000237682229 270322677 /nfs/dbraw/zinc/32/26/77/270322677.db2.gz SEUPURQPXLEFOO-CABCVRRESA-N 2 1 295.471 2.084 20 0 CEADMP CC(C)n1nccc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397485270 270354361 /nfs/dbraw/zinc/35/43/61/270354361.db2.gz UJGALZPNEGPVHQ-RDBSUJKOSA-N 2 1 264.417 2.269 20 0 CEADMP CC(C)n1nccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397485270 270354364 /nfs/dbraw/zinc/35/43/64/270354364.db2.gz UJGALZPNEGPVHQ-RDBSUJKOSA-N 2 1 264.417 2.269 20 0 CEADMP CCCC[C@@H](C[NH3+])NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000418447351 270376010 /nfs/dbraw/zinc/37/60/10/270376010.db2.gz PHTSLXPZDVGBKQ-GJZGRUSLSA-N 2 1 298.475 2.020 20 0 CEADMP CCC([NH3+])(CC)CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000418446809 270376061 /nfs/dbraw/zinc/37/60/61/270376061.db2.gz ZXUPRZJFBFLJBL-AWEZNQCLSA-N 2 1 298.475 2.020 20 0 CEADMP C(C[NH+]1CCN(CC2CCCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000420310003 270512669 /nfs/dbraw/zinc/51/26/69/270512669.db2.gz URCAEXMXDZLHGL-MRXNPFEDSA-N 2 1 279.472 2.184 20 0 CEADMP Cn1c2ccccc2nc1C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420325991 270517815 /nfs/dbraw/zinc/51/78/15/270517815.db2.gz WXXAGONGOMRCHZ-AWEZNQCLSA-N 2 1 286.423 2.395 20 0 CEADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420327830 270519494 /nfs/dbraw/zinc/51/94/94/270519494.db2.gz YXSCMUFQJYUVAK-VNQPRFMTSA-N 2 1 292.423 2.237 20 0 CEADMP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420327830 270519496 /nfs/dbraw/zinc/51/94/96/270519496.db2.gz YXSCMUFQJYUVAK-VNQPRFMTSA-N 2 1 292.423 2.237 20 0 CEADMP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422722860 270740550 /nfs/dbraw/zinc/74/05/50/270740550.db2.gz PXGHLCOTXRSPRU-SQNIBIBYSA-N 3 1 291.483 2.371 20 0 CEADMP COc1ccc(OC)c(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422757224 270755161 /nfs/dbraw/zinc/75/51/61/270755161.db2.gz IKQBLGDESFXFHC-CZUORRHYSA-N 2 1 292.423 2.367 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000422950922 270804798 /nfs/dbraw/zinc/80/47/98/270804798.db2.gz XBSGRSZSIBDARC-HZSPNIEDSA-N 2 1 276.380 2.378 20 0 CEADMP [NH3+]CC1CCC([NH2+]C2CC(N3CCCCC3)C2)CC1 ZINC000423096725 270834802 /nfs/dbraw/zinc/83/48/02/270834802.db2.gz PRAMCCGMWMKXCY-UHFFFAOYSA-N 2 1 265.445 2.110 20 0 CEADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423268177 270884519 /nfs/dbraw/zinc/88/45/19/270884519.db2.gz GHUCFZVNYOGRRW-OLZOCXBDSA-N 2 1 266.360 2.395 20 0 CEADMP COc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)ccc1F ZINC000423284443 270889107 /nfs/dbraw/zinc/88/91/07/270889107.db2.gz XYSXYDKUUTWWBF-GWCFXTLKSA-N 2 1 254.349 2.468 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC[NH2+]1 ZINC000423373051 270905736 /nfs/dbraw/zinc/90/57/36/270905736.db2.gz GZSVVSUXDDQZED-IBEHDNSVSA-N 3 1 265.445 2.027 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c(C)c1 ZINC000423493457 270917671 /nfs/dbraw/zinc/91/76/71/270917671.db2.gz QCAAZHLHVWUUAP-ZFWWWQNUSA-N 2 1 278.396 2.033 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000423757251 270939526 /nfs/dbraw/zinc/93/95/26/270939526.db2.gz HZAFCIHUPBTMJW-GOEBONIOSA-N 2 1 295.471 2.227 20 0 CEADMP COC(=O)[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)[C@H]1C(C)C ZINC000429385122 271326449 /nfs/dbraw/zinc/32/64/49/271326449.db2.gz USQCCRBCIGRJEQ-JYJNAYRXSA-N 2 1 296.455 2.380 20 0 CEADMP COC(=O)[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)[C@H]1C(C)C ZINC000429385122 271326452 /nfs/dbraw/zinc/32/64/52/271326452.db2.gz USQCCRBCIGRJEQ-JYJNAYRXSA-N 2 1 296.455 2.380 20 0 CEADMP C[N@@H+](CCC[NH3+])CCCOc1cccc(Cl)c1 ZINC000430592398 271396819 /nfs/dbraw/zinc/39/68/19/271396819.db2.gz GZFNOFLYBJSYBY-UHFFFAOYSA-N 2 1 256.777 2.390 20 0 CEADMP CCc1ccccc1NC(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000430958360 271416444 /nfs/dbraw/zinc/41/64/44/271416444.db2.gz XMFMVGUVRHXNGY-UHFFFAOYSA-N 2 1 289.423 2.119 20 0 CEADMP Brc1c[nH+]ccc1N1CCC2(CC[NH2+]C2)CC1 ZINC000334988536 275377777 /nfs/dbraw/zinc/37/77/77/275377777.db2.gz ACXGJGMVILTLRQ-UHFFFAOYSA-N 2 1 296.212 2.424 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000365054212 276096298 /nfs/dbraw/zinc/09/62/98/276096298.db2.gz LNJBNJKWKNSVSC-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CCN1CCC([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000093515911 276151534 /nfs/dbraw/zinc/15/15/34/276151534.db2.gz PEMMOYDRFMIZDB-GOEBONIOSA-N 2 1 267.461 2.371 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000107368949 276201221 /nfs/dbraw/zinc/20/12/21/276201221.db2.gz ANKFWKPGSHAZAF-KRWDZBQOSA-N 2 1 291.414 2.038 20 0 CEADMP CCCCOCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158499214 276238243 /nfs/dbraw/zinc/23/82/43/276238243.db2.gz DNXKVWGOADLOOC-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCCCOCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158499214 276238244 /nfs/dbraw/zinc/23/82/44/276238244.db2.gz DNXKVWGOADLOOC-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCCCOCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158499214 276238245 /nfs/dbraw/zinc/23/82/45/276238245.db2.gz DNXKVWGOADLOOC-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000352177831 276271391 /nfs/dbraw/zinc/27/13/91/276271391.db2.gz GPQZGQBJVFIFFD-HZPDHXFCSA-N 2 1 297.487 2.390 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353609625 276288285 /nfs/dbraw/zinc/28/82/85/276288285.db2.gz UGLAEORTBYJYLS-CWVYHPPDSA-N 2 1 294.439 2.181 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000353943372 276360491 /nfs/dbraw/zinc/36/04/91/276360491.db2.gz IKOREXNGUOYEFN-GZBFAFLISA-N 2 1 282.428 2.038 20 0 CEADMP C([NH2+][C@@H]1CCCOCC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000358138268 276814542 /nfs/dbraw/zinc/81/45/42/276814542.db2.gz IHHOLDBWRJGMLG-MRXNPFEDSA-N 2 1 296.455 2.180 20 0 CEADMP C[NH+]1CCC([NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000335985997 277031662 /nfs/dbraw/zinc/03/16/62/277031662.db2.gz LYSSFKZWZMUCED-AWEZNQCLSA-N 2 1 291.370 2.283 20 0 CEADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@H]3CCSC3)C2)CC1 ZINC000334952665 277033045 /nfs/dbraw/zinc/03/30/45/277033045.db2.gz FWCINGYVELVXBG-UKRRQHHQSA-N 2 1 268.470 2.403 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000336803179 277060220 /nfs/dbraw/zinc/06/02/20/277060220.db2.gz XISHHPMNLUJSIJ-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000336803179 277060221 /nfs/dbraw/zinc/06/02/21/277060221.db2.gz XISHHPMNLUJSIJ-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000336803179 277060222 /nfs/dbraw/zinc/06/02/22/277060222.db2.gz XISHHPMNLUJSIJ-BZUAXINKSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)C3CCCCC3)CC[C@@H]21 ZINC000231356250 277068996 /nfs/dbraw/zinc/06/89/96/277068996.db2.gz RKSYIIVEDIZRDE-IXDOHACOSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)C3CCCCC3)CC[C@@H]21 ZINC000231356250 277068997 /nfs/dbraw/zinc/06/89/97/277068997.db2.gz RKSYIIVEDIZRDE-IXDOHACOSA-N 2 1 280.456 2.344 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)C3CCCCC3)CC[C@@H]21 ZINC000231356250 277068998 /nfs/dbraw/zinc/06/89/98/277068998.db2.gz RKSYIIVEDIZRDE-IXDOHACOSA-N 2 1 280.456 2.344 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000336801643 277077791 /nfs/dbraw/zinc/07/77/91/277077791.db2.gz QUSVBCSUYKGJHX-KBPBESRZSA-N 2 1 262.401 2.073 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000336801643 277077793 /nfs/dbraw/zinc/07/77/93/277077793.db2.gz QUSVBCSUYKGJHX-KBPBESRZSA-N 2 1 262.401 2.073 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000336801643 277077795 /nfs/dbraw/zinc/07/77/95/277077795.db2.gz QUSVBCSUYKGJHX-KBPBESRZSA-N 2 1 262.401 2.073 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+]([C@@H]3C=CCCC3)C2)CC1 ZINC000245525446 277110725 /nfs/dbraw/zinc/11/07/25/277110725.db2.gz OGKSMMCSNXUSRG-IAGOWNOFSA-N 2 1 277.456 2.197 20 0 CEADMP C[NH+]1CCN([C@@H]2CCCC[N@H+]([C@@H]3C=CCCC3)C2)CC1 ZINC000245525446 277110726 /nfs/dbraw/zinc/11/07/26/277110726.db2.gz OGKSMMCSNXUSRG-IAGOWNOFSA-N 2 1 277.456 2.197 20 0 CEADMP COC1(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CCCC1 ZINC000361550556 277183925 /nfs/dbraw/zinc/18/39/25/277183925.db2.gz SECNPTQCKUWMQS-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CCCC1 ZINC000361550556 277183926 /nfs/dbraw/zinc/18/39/26/277183926.db2.gz SECNPTQCKUWMQS-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC000361550556 277183927 /nfs/dbraw/zinc/18/39/27/277183927.db2.gz SECNPTQCKUWMQS-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP COC1(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000361550556 277183928 /nfs/dbraw/zinc/18/39/28/277183928.db2.gz SECNPTQCKUWMQS-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP COC[C@@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246120228 277244368 /nfs/dbraw/zinc/24/43/68/277244368.db2.gz DASJJVTWMOUJPF-OAGGEKHMSA-N 2 1 298.471 2.233 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415034273 277307248 /nfs/dbraw/zinc/30/72/48/277307248.db2.gz CNHAQUJFDCYOIB-KGLIPLIRSA-N 2 1 282.428 2.040 20 0 CEADMP CC(C)=CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371294878 277324921 /nfs/dbraw/zinc/32/49/21/277324921.db2.gz NMQYRIYQEMYXNJ-RRFJBIMHSA-N 2 1 252.402 2.136 20 0 CEADMP CC(C)CC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000376020036 277360232 /nfs/dbraw/zinc/36/02/32/277360232.db2.gz DEGBLGQLKWFVTE-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)CC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000376020036 277360233 /nfs/dbraw/zinc/36/02/33/277360233.db2.gz DEGBLGQLKWFVTE-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)C[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000247091442 277386391 /nfs/dbraw/zinc/38/63/91/277386391.db2.gz PLMOQQYNAHRGDI-ZMSDIMECSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000414711861 277488902 /nfs/dbraw/zinc/48/89/02/277488902.db2.gz SYGXICADLQHHDV-RDJZCZTQSA-N 2 1 298.471 2.410 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2([NH3+])CCCC2)C1 ZINC000178705354 278002220 /nfs/dbraw/zinc/00/22/20/278002220.db2.gz DTCYKRJTABDOAD-GASCZTMLSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000352693469 278010297 /nfs/dbraw/zinc/01/02/97/278010297.db2.gz LPHTWPVNJBLIPC-RBSFLKMASA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[C@H](C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000352693469 278010298 /nfs/dbraw/zinc/01/02/98/278010298.db2.gz LPHTWPVNJBLIPC-RBSFLKMASA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[C@H](C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000352693469 278010300 /nfs/dbraw/zinc/01/03/00/278010300.db2.gz LPHTWPVNJBLIPC-RBSFLKMASA-N 2 1 254.418 2.075 20 0 CEADMP C[C@@H]1C[C@H](NCC[NH+]2CCCCCC2)C[N@@H+]1C1CC1 ZINC000124001782 278025501 /nfs/dbraw/zinc/02/55/01/278025501.db2.gz XQUMKQOTCAKOFT-CABCVRRESA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1C[C@H](NCC[NH+]2CCCCCC2)C[N@H+]1C1CC1 ZINC000124001782 278025503 /nfs/dbraw/zinc/02/55/03/278025503.db2.gz XQUMKQOTCAKOFT-CABCVRRESA-N 2 1 265.445 2.077 20 0 CEADMP C[C@H](CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1)C[NH+]1CCCCC1 ZINC000125634411 278211391 /nfs/dbraw/zinc/21/13/91/278211391.db2.gz FFWPROOMXMISST-PMPSAXMXSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1)C[NH+]1CCCCC1 ZINC000125634411 278211394 /nfs/dbraw/zinc/21/13/94/278211394.db2.gz FFWPROOMXMISST-PMPSAXMXSA-N 2 1 279.472 2.323 20 0 CEADMP CC1(C)CC[NH+](CC2(C[N@@H+]3CCC(C)(C)C3)COC2)C1 ZINC000182201670 278257859 /nfs/dbraw/zinc/25/78/59/278257859.db2.gz CKBWWPPQUWVNCM-UHFFFAOYSA-N 2 1 280.456 2.467 20 0 CEADMP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@H]1CCCOC1 ZINC000356910921 278258807 /nfs/dbraw/zinc/25/88/07/278258807.db2.gz ZJMHPKQVQSLFMH-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@H]1CCCOC1 ZINC000356910921 278258808 /nfs/dbraw/zinc/25/88/08/278258808.db2.gz ZJMHPKQVQSLFMH-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000346643522 278318224 /nfs/dbraw/zinc/31/82/24/278318224.db2.gz NCYALCAXAGKDAK-OLZOCXBDSA-N 2 1 276.380 2.017 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000346643522 278318228 /nfs/dbraw/zinc/31/82/28/278318228.db2.gz NCYALCAXAGKDAK-OLZOCXBDSA-N 2 1 276.380 2.017 20 0 CEADMP CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154310893 278935150 /nfs/dbraw/zinc/93/51/50/278935150.db2.gz UITUCHHUVVQXLK-IAGOWNOFSA-N 2 1 278.440 2.300 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000347193557 279094274 /nfs/dbraw/zinc/09/42/74/279094274.db2.gz WPHGYJDTLSAENW-CQSZACIVSA-N 2 1 256.434 2.344 20 0 CEADMP CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000154642491 279121454 /nfs/dbraw/zinc/12/14/54/279121454.db2.gz IIANMMOOYDKARV-LVQVYYBASA-N 2 1 270.461 2.349 20 0 CEADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000062347729 279160007 /nfs/dbraw/zinc/16/00/07/279160007.db2.gz BQCFJGQTEFDAQS-ZBFHGGJFSA-N 2 1 291.439 2.136 20 0 CEADMP CC(C)C[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000353562313 279174900 /nfs/dbraw/zinc/17/49/00/279174900.db2.gz MSAZGEMVIGTGMT-HNNXBMFYSA-N 2 1 283.460 2.083 20 0 CEADMP Cc1nccnc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414194705 279175506 /nfs/dbraw/zinc/17/55/06/279175506.db2.gz UPEAPIOBXHPDMG-JSGCOSHPSA-N 2 1 262.401 2.168 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000414753189 279180264 /nfs/dbraw/zinc/18/02/64/279180264.db2.gz DIMUXTOYGAWVOY-IHRRRGAJSA-N 2 1 256.434 2.089 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000414753189 279180268 /nfs/dbraw/zinc/18/02/68/279180268.db2.gz DIMUXTOYGAWVOY-IHRRRGAJSA-N 2 1 256.434 2.089 20 0 CEADMP CC[N@@H+](CCNC(=O)CC[C@@H]1CCCC[NH+]1C)C(C)C ZINC000352912425 279192565 /nfs/dbraw/zinc/19/25/65/279192565.db2.gz NNEIYXMIZBSVEW-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP CC[NH+](CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000352912425 279192566 /nfs/dbraw/zinc/19/25/66/279192566.db2.gz NNEIYXMIZBSVEW-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP CC[NH+](CCNC(=O)CC[C@@H]1CCCC[N@H+]1C)C(C)C ZINC000352912425 279192567 /nfs/dbraw/zinc/19/25/67/279192567.db2.gz NNEIYXMIZBSVEW-HNNXBMFYSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000359940811 279353641 /nfs/dbraw/zinc/35/36/41/279353641.db2.gz IKLHWGJGNNVYNH-QXSJWSMHSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+](C)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000359940811 279353644 /nfs/dbraw/zinc/35/36/44/279353644.db2.gz IKLHWGJGNNVYNH-QXSJWSMHSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+](C)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000359940811 279353645 /nfs/dbraw/zinc/35/36/45/279353645.db2.gz IKLHWGJGNNVYNH-QXSJWSMHSA-N 2 1 267.461 2.037 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(C)(C)C(=O)OC)[C@@H](C)C1 ZINC000338568047 279397537 /nfs/dbraw/zinc/39/75/37/279397537.db2.gz MDMCZLSWLJCFSG-UONOGXRCSA-N 2 1 284.444 2.238 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(C)(C)C(=O)OC)[C@@H](C)C1 ZINC000338568047 279397539 /nfs/dbraw/zinc/39/75/39/279397539.db2.gz MDMCZLSWLJCFSG-UONOGXRCSA-N 2 1 284.444 2.238 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(C)(C)C(=O)OC)[C@@H](C)C1 ZINC000338568047 279397540 /nfs/dbraw/zinc/39/75/40/279397540.db2.gz MDMCZLSWLJCFSG-UONOGXRCSA-N 2 1 284.444 2.238 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000134517893 280024553 /nfs/dbraw/zinc/02/45/53/280024553.db2.gz XJFPWSUWOWPBPI-UHFFFAOYSA-N 2 1 260.385 2.384 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000354937649 280100601 /nfs/dbraw/zinc/10/06/01/280100601.db2.gz ISLBQILTOUEJRV-CVEARBPZSA-N 2 1 297.487 2.343 20 0 CEADMP CC[C@@H](C[NH2+][C@@H](CC)[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000151704375 280145517 /nfs/dbraw/zinc/14/55/17/280145517.db2.gz ACKVNIMGRYUVFA-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cccc(OCC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000222805171 280212197 /nfs/dbraw/zinc/21/21/97/280212197.db2.gz TYVWRYMQOQLPIY-GJZGRUSLSA-N 2 1 262.397 2.446 20 0 CEADMP Cc1cccc(OCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000222805171 280212198 /nfs/dbraw/zinc/21/21/98/280212198.db2.gz TYVWRYMQOQLPIY-GJZGRUSLSA-N 2 1 262.397 2.446 20 0 CEADMP CC[C@@H]1CCCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000311094060 280238910 /nfs/dbraw/zinc/23/89/10/280238910.db2.gz QMCVMOITIBQIGQ-UKRRQHHQSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@@H]1CCCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000311094060 280238914 /nfs/dbraw/zinc/23/89/14/280238914.db2.gz QMCVMOITIBQIGQ-UKRRQHHQSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@@H]1CCCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000311094060 280238917 /nfs/dbraw/zinc/23/89/17/280238917.db2.gz QMCVMOITIBQIGQ-UKRRQHHQSA-N 2 1 254.418 2.096 20 0 CEADMP CC[C@@H]1CCCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000311094060 280238920 /nfs/dbraw/zinc/23/89/20/280238920.db2.gz QMCVMOITIBQIGQ-UKRRQHHQSA-N 2 1 254.418 2.096 20 0 CEADMP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246532388 280299369 /nfs/dbraw/zinc/29/93/69/280299369.db2.gz VLVOLUZBMAROFH-RDBSUJKOSA-N 2 1 256.434 2.102 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000246870745 280312667 /nfs/dbraw/zinc/31/26/67/280312667.db2.gz DJTUZZAZNUOAOB-JYJNAYRXSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000246870745 280312668 /nfs/dbraw/zinc/31/26/68/280312668.db2.gz DJTUZZAZNUOAOB-JYJNAYRXSA-N 3 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000246870745 280312669 /nfs/dbraw/zinc/31/26/69/280312669.db2.gz DJTUZZAZNUOAOB-JYJNAYRXSA-N 3 1 267.461 2.038 20 0 CEADMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000247123632 280321017 /nfs/dbraw/zinc/32/10/17/280321017.db2.gz ANHLYXZKOJGGMC-IAGOWNOFSA-N 2 1 276.424 2.176 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOC(C)C)[C@@H](C)C1 ZINC000248481964 280349798 /nfs/dbraw/zinc/34/97/98/280349798.db2.gz BRMXTYKKNYNGOI-JKSUJKDBSA-N 2 1 286.460 2.138 20 0 CEADMP CCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248553677 280352003 /nfs/dbraw/zinc/35/20/03/280352003.db2.gz HNGWWDUAGAUOHT-ILXRZTDVSA-N 2 1 295.471 2.144 20 0 CEADMP CCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248553677 280352007 /nfs/dbraw/zinc/35/20/07/280352007.db2.gz HNGWWDUAGAUOHT-ILXRZTDVSA-N 2 1 295.471 2.144 20 0 CEADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000248833591 280367123 /nfs/dbraw/zinc/36/71/23/280367123.db2.gz LUWOPMCBKHJLSG-CYGHRXIMSA-N 2 1 290.451 2.217 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422870357 280940683 /nfs/dbraw/zinc/94/06/83/280940683.db2.gz YPMWEBMSQUJJFM-JKSUJKDBSA-N 2 1 275.396 2.395 20 0 CEADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422920587 280966453 /nfs/dbraw/zinc/96/64/53/280966453.db2.gz NCRBRQFPNINBBK-KBXIAJHMSA-N 2 1 254.418 2.025 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000423052650 281011971 /nfs/dbraw/zinc/01/19/71/281011971.db2.gz QFWLWIJZOJQTBO-AYDFFVQHSA-N 2 1 263.429 2.393 20 0 CEADMP Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423059682 281014453 /nfs/dbraw/zinc/01/44/53/281014453.db2.gz MONMZBCUTYPSFN-HIFRSBDPSA-N 2 1 285.391 2.057 20 0 CEADMP COc1cc(Br)ccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423060569 281014998 /nfs/dbraw/zinc/01/49/98/281014998.db2.gz IMGRYGYFXRESOP-SECBINFHSA-N 2 1 299.212 2.155 20 0 CEADMP C[C@@H](C[NH3+])N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423380863 281026499 /nfs/dbraw/zinc/02/64/99/281026499.db2.gz YZAXPUDZWAVTHJ-QSPRXWTASA-N 2 1 273.424 2.119 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2ccc3c(c2)C[NH2+]C3)[C@H](C)C1 ZINC000423406176 281031324 /nfs/dbraw/zinc/03/13/24/281031324.db2.gz YRJHTBSUBHZTIP-CXAGYDPISA-N 2 1 273.424 2.110 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@H](C)C1 ZINC000423406176 281031328 /nfs/dbraw/zinc/03/13/28/281031328.db2.gz YRJHTBSUBHZTIP-CXAGYDPISA-N 3 1 273.424 2.110 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@H](C)C1 ZINC000423406176 281031330 /nfs/dbraw/zinc/03/13/30/281031330.db2.gz YRJHTBSUBHZTIP-CXAGYDPISA-N 3 1 273.424 2.110 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000423425039 281037736 /nfs/dbraw/zinc/03/77/36/281037736.db2.gz MEYKCBQYOAISBU-WWGRRREGSA-N 2 1 287.407 2.015 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc(OC)c1OC ZINC000423434733 281040613 /nfs/dbraw/zinc/04/06/13/281040613.db2.gz DLFVCONJHMVQLU-AXFHLTTASA-N 2 1 282.384 2.099 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423446106 281044444 /nfs/dbraw/zinc/04/44/44/281044444.db2.gz NUHCOLSCMZOPPP-SRVKXCTJSA-N 2 1 290.411 2.357 20 0 CEADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423469827 281050873 /nfs/dbraw/zinc/05/08/73/281050873.db2.gz KTHJGKRSJHYQBX-LLLHUVSDSA-N 2 1 275.440 2.052 20 0 CEADMP COc1ccc(OC)c([C@@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000423531537 281064416 /nfs/dbraw/zinc/06/44/16/281064416.db2.gz STMGXXFELMFXGY-GFCCVEGCSA-N 2 1 278.396 2.497 20 0 CEADMP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[C@@H](C)[NH3+] ZINC000423729104 281084669 /nfs/dbraw/zinc/08/46/69/281084669.db2.gz NRJYIDQABMKNNV-GDBMZVCRSA-N 2 1 297.487 2.329 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000423796004 281096554 /nfs/dbraw/zinc/09/65/54/281096554.db2.gz GTWYNDGAKRQOQJ-ARFHVFGLSA-N 2 1 295.471 2.131 20 0 CEADMP C[N@H+]1CCCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424155074 281123781 /nfs/dbraw/zinc/12/37/81/281123781.db2.gz NEVUQCHGZGEYNI-MRXNPFEDSA-N 2 1 295.471 2.228 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424274782 281141713 /nfs/dbraw/zinc/14/17/13/281141713.db2.gz ACKZDLVPINXVTC-GDBMZVCRSA-N 2 1 293.430 2.142 20 0 CEADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424277763 281143091 /nfs/dbraw/zinc/14/30/91/281143091.db2.gz CHZHSQSHETUAER-UNEWFSDZSA-N 2 1 291.414 2.037 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2O)cc1 ZINC000424316076 281149044 /nfs/dbraw/zinc/14/90/44/281149044.db2.gz MREWMLWSJOEMLH-IUIKQTSFSA-N 2 1 271.364 2.355 20 0 CEADMP Cc1cccc(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)[nH+]1 ZINC000333658206 281225890 /nfs/dbraw/zinc/22/58/90/281225890.db2.gz LCPANFYAWODOHH-GDBMZVCRSA-N 2 1 275.396 2.113 20 0 CEADMP Cc1cccc(N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)[nH+]1 ZINC000333658209 281226065 /nfs/dbraw/zinc/22/60/65/281226065.db2.gz LCPANFYAWODOHH-ZBFHGGJFSA-N 2 1 275.396 2.113 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000429591451 281248322 /nfs/dbraw/zinc/24/83/22/281248322.db2.gz QURGUPCZFXEHHN-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CCc1noc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000430935641 281282881 /nfs/dbraw/zinc/28/28/81/281282881.db2.gz UUSLHEMBDGWPEH-GFCCVEGCSA-N 2 1 280.416 2.217 20 0 CEADMP CC(C)c1noc([C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000430940671 281283852 /nfs/dbraw/zinc/28/38/52/281283852.db2.gz QHYBCLWMWJOSGZ-GHMZBOCLSA-N 2 1 266.389 2.313 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431041671 281288363 /nfs/dbraw/zinc/28/83/63/281288363.db2.gz XPXHROUSEXDWQE-LLVKDONJSA-N 2 1 276.384 2.084 20 0 CEADMP CC[C@]1(C(=O)NCCC[N@@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC000128946043 281301613 /nfs/dbraw/zinc/30/16/13/281301613.db2.gz KUDPCWGSIHNRTB-QGZVFWFLSA-N 2 1 295.471 2.289 20 0 CEADMP CC(C)[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000432859797 281350776 /nfs/dbraw/zinc/35/07/76/281350776.db2.gz PIHADUUDSZKBIJ-IIAWOOMASA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)[C@@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433188432 281376858 /nfs/dbraw/zinc/37/68/58/281376858.db2.gz QSTMAWVAEJXACH-INIZCTEOSA-N 2 1 291.439 2.416 20 0 CEADMP CC[C@@H](C[NH2+][C@@H](C)CC(=O)N(CC)CC)[NH+]1CCCC1 ZINC000151709186 289064766 /nfs/dbraw/zinc/06/47/66/289064766.db2.gz DXBDOZSYOFLUDW-GJZGRUSLSA-N 2 1 283.460 2.097 20 0 CEADMP CC1CC[NH+](CCN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000154016003 289130570 /nfs/dbraw/zinc/13/05/70/289130570.db2.gz LRAFPQCOAUEEMU-HZPDHXFCSA-N 2 1 267.461 2.133 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353525762 289308751 /nfs/dbraw/zinc/30/87/51/289308751.db2.gz ZAJGQIICKKNFFN-NNXHMXCWSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353525762 289308753 /nfs/dbraw/zinc/30/87/53/289308753.db2.gz ZAJGQIICKKNFFN-NNXHMXCWSA-N 3 1 279.472 2.322 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353525762 289308757 /nfs/dbraw/zinc/30/87/57/289308757.db2.gz ZAJGQIICKKNFFN-NNXHMXCWSA-N 3 1 279.472 2.322 20 0 CEADMP C[C@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000118772793 289352914 /nfs/dbraw/zinc/35/29/14/289352914.db2.gz CTRSJLNVNYWHBI-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](C)[C@H]1CCCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000365400821 289373675 /nfs/dbraw/zinc/37/36/75/289373675.db2.gz BHDNMIMUNRACAP-JKSUJKDBSA-N 2 1 267.461 2.277 20 0 CEADMP C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000194998568 289624492 /nfs/dbraw/zinc/62/44/92/289624492.db2.gz FHSOMOXRSNFPGS-RFBLXINOSA-N 2 1 268.445 2.367 20 0 CEADMP CCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1nnc2ccccn21 ZINC000459405184 290139188 /nfs/dbraw/zinc/13/91/88/290139188.db2.gz NFNRPANFDSMIPD-CQSZACIVSA-N 2 1 298.394 2.136 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1OCCc2sccc21 ZINC000459491961 290163191 /nfs/dbraw/zinc/16/31/91/290163191.db2.gz NAPFBQJPNIZJOE-NHYWBVRUSA-N 2 1 291.420 2.316 20 0 CEADMP CC1(C)C[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)CCO1 ZINC000459602162 290192399 /nfs/dbraw/zinc/19/23/99/290192399.db2.gz YNBRKSKJQQSSCV-CYBMUJFWSA-N 2 1 266.429 2.408 20 0 CEADMP Cc1ncc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000459721025 290217087 /nfs/dbraw/zinc/21/70/87/290217087.db2.gz AEZPNGYGNVVPHT-LBPRGKRZSA-N 2 1 253.415 2.273 20 0 CEADMP CCc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000459724313 290217341 /nfs/dbraw/zinc/21/73/41/290217341.db2.gz AMOSHLTXOMHONO-AWEZNQCLSA-N 2 1 261.413 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOC[C@@H]2CCCO2)[C@H]2CCC[C@H]21 ZINC000353453673 290217909 /nfs/dbraw/zinc/21/79/09/290217909.db2.gz GKGJWYCANWLEQP-VVLHAWIVSA-N 2 1 296.455 2.035 20 0 CEADMP Cc1cccn2c(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)cnc12 ZINC000459725174 290218288 /nfs/dbraw/zinc/21/82/88/290218288.db2.gz FRIWQLXQFXZPOM-HNNXBMFYSA-N 2 1 286.423 2.464 20 0 CEADMP COC(=O)C1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459792606 290241952 /nfs/dbraw/zinc/24/19/52/290241952.db2.gz SSEVFKFFQKJHCG-WLYUNCDWSA-N 2 1 282.428 2.040 20 0 CEADMP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C(F)F)n1 ZINC000459800352 290244977 /nfs/dbraw/zinc/24/49/77/290244977.db2.gz ZPWWQCSVLJSUMT-NSHDSACASA-N 2 1 286.370 2.179 20 0 CEADMP CCC[C@@H]([NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1)C1CCC1 ZINC000459815345 290247568 /nfs/dbraw/zinc/24/75/68/290247568.db2.gz YENBJGIPEVGGOU-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cccc2c(N[C@H](C)C[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000462481582 290259299 /nfs/dbraw/zinc/25/92/99/290259299.db2.gz SHCOPRGVYVCGPI-OAHLLOKOSA-N 2 1 299.418 2.406 20 0 CEADMP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261778393 290264727 /nfs/dbraw/zinc/26/47/27/290264727.db2.gz PFHUKFMULREIRJ-KGLIPLIRSA-N 2 1 293.842 2.381 20 0 CEADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000479548506 290309442 /nfs/dbraw/zinc/30/94/42/290309442.db2.gz PSBZBKXIIBJSNT-ZNMIVQPWSA-N 2 1 295.471 2.048 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CC2(C)C)CC1 ZINC000486953602 290323234 /nfs/dbraw/zinc/32/32/34/290323234.db2.gz FSMTVVNFINHFQQ-TZMCWYRMSA-N 2 1 254.418 2.121 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@@H]2CC2(C)C)CC1 ZINC000486963593 290324202 /nfs/dbraw/zinc/32/42/02/290324202.db2.gz FXTNJOOFAKRSKX-CVEARBPZSA-N 2 1 281.488 2.428 20 0 CEADMP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551265 294108517 /nfs/dbraw/zinc/10/85/17/294108517.db2.gz CYTPAMBZHRLZNL-ZDUSSCGKSA-N 2 1 266.772 2.363 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)CCOCC1 ZINC000168340418 297468482 /nfs/dbraw/zinc/46/84/82/297468482.db2.gz JLWXSHMLNRTVDD-CYBMUJFWSA-N 2 1 284.444 2.033 20 0 CEADMP CC[C@@H]([NH2+]C[C@@]1(C)COc2ccccc2O1)[C@@H]1CCC[NH2+]1 ZINC000530214303 298051871 /nfs/dbraw/zinc/05/18/71/298051871.db2.gz XGWYMYPJBNPDNF-KEYYUXOJSA-N 2 1 290.407 2.337 20 0 CEADMP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000530219483 298054234 /nfs/dbraw/zinc/05/42/34/298054234.db2.gz PTTZUYVJJINXQZ-SJORKVTESA-N 2 1 294.414 2.457 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000530222219 298056329 /nfs/dbraw/zinc/05/63/29/298056329.db2.gz RAUQGJZMRPPFDX-DUVNUKRYSA-N 2 1 280.387 2.052 20 0 CEADMP CC(C)n1cc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cn1 ZINC000530513279 298075621 /nfs/dbraw/zinc/07/56/21/298075621.db2.gz ZOGVMPSLZUYABO-LBPRGKRZSA-N 2 1 261.373 2.091 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000532191637 298135130 /nfs/dbraw/zinc/13/51/30/298135130.db2.gz BRLPJAUWZKRQHC-HRCADAONSA-N 2 1 297.487 2.486 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000532191637 298135131 /nfs/dbraw/zinc/13/51/31/298135131.db2.gz BRLPJAUWZKRQHC-HRCADAONSA-N 2 1 297.487 2.486 20 0 CEADMP CC(C)OC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000536607337 298200475 /nfs/dbraw/zinc/20/04/75/298200475.db2.gz SNLZFBBNOXHUNH-CQSZACIVSA-N 2 1 254.418 2.360 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cn2c1 ZINC000565226389 298889487 /nfs/dbraw/zinc/88/94/87/298889487.db2.gz KOMFUIHGKXEALS-QWHCGFSZSA-N 2 1 258.369 2.002 20 0 CEADMP N[C@@H]1C[C@@H]([NH2+]C2[C@@H]3CC[C@H]2CC([NH3+])C3)c2ccccc21 ZINC000566092360 298943980 /nfs/dbraw/zinc/94/39/80/298943980.db2.gz DCUGPDBKIUQJOY-PCCTZSNOSA-N 2 1 271.408 2.237 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC2(C)CC2)CC1 ZINC000566655066 299011611 /nfs/dbraw/zinc/01/16/11/299011611.db2.gz NDUGRZNSMWGLOU-IYBDPMFKSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000178971791 300366254 /nfs/dbraw/zinc/36/62/54/300366254.db2.gz AIKFWKIQUILGLS-WMLDXEAASA-N 2 1 274.408 2.448 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)ccn1 ZINC000527537688 313181207 /nfs/dbraw/zinc/18/12/07/313181207.db2.gz FAJMIRCQWVLZCI-CQSZACIVSA-N 2 1 256.353 2.113 20 0 CEADMP Cc1nccn1CCC[N@H+](C)Cc1ccnc(C)c1 ZINC000527537322 313181380 /nfs/dbraw/zinc/18/13/80/313181380.db2.gz AVZIRNNBECTRBM-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccnc(C)c1 ZINC000527537322 313181384 /nfs/dbraw/zinc/18/13/84/313181384.db2.gz AVZIRNNBECTRBM-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CC12CC2 ZINC000527899688 313214051 /nfs/dbraw/zinc/21/40/51/313214051.db2.gz WKRBJSXHEOWCDW-ILXRZTDVSA-N 2 1 266.429 2.266 20 0 CEADMP COCCC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC000527938589 313217933 /nfs/dbraw/zinc/21/79/33/313217933.db2.gz ZFGZUJGZFSWTDC-UHFFFAOYSA-N 2 1 266.429 2.362 20 0 CEADMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000528009665 313224766 /nfs/dbraw/zinc/22/47/66/313224766.db2.gz WRVJLEKURSLTBY-UUIJZJDISA-N 2 1 252.402 2.015 20 0 CEADMP CCc1cc(NC[C@@H]2CC[N@H+]2C2CCCC2)cc[nH+]1 ZINC000528207292 313239000 /nfs/dbraw/zinc/23/90/00/313239000.db2.gz BTIGFMGOAJTGOH-INIZCTEOSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ncccc1F ZINC000528825353 313263168 /nfs/dbraw/zinc/26/31/68/313263168.db2.gz QIPUSVZEPPXUHS-NSHDSACASA-N 2 1 262.332 2.467 20 0 CEADMP Cc1cnccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000530225635 313285032 /nfs/dbraw/zinc/28/50/32/313285032.db2.gz UYAGEWKANWEEBC-GOEBONIOSA-N 2 1 259.397 2.354 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000530225372 313285327 /nfs/dbraw/zinc/28/53/27/313285327.db2.gz YUXNOSDAYRBKKR-UAGQMJEPSA-N 2 1 292.398 2.067 20 0 CEADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000530227261 313286035 /nfs/dbraw/zinc/28/60/35/313286035.db2.gz WRVJCOUDPKGXIX-PMPSAXMXSA-N 2 1 287.407 2.063 20 0 CEADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000531936094 313333546 /nfs/dbraw/zinc/33/35/46/313333546.db2.gz BDZGEXDJBOGCIS-CZUORRHYSA-N 2 1 289.423 2.465 20 0 CEADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000531936094 313333548 /nfs/dbraw/zinc/33/35/48/313333548.db2.gz BDZGEXDJBOGCIS-CZUORRHYSA-N 2 1 289.423 2.465 20 0 CEADMP CCC(CC)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000547731676 313539661 /nfs/dbraw/zinc/53/96/61/313539661.db2.gz SMPCBHKTJLHUSI-UHFFFAOYSA-N 2 1 290.411 2.208 20 0 CEADMP C[C@@H](C[NH2+]Cc1cnc(-c2ccccc2)nc1)C[NH+](C)C ZINC000563929292 313754824 /nfs/dbraw/zinc/75/48/24/313754824.db2.gz PABDWHAWOMZUKQ-AWEZNQCLSA-N 2 1 284.407 2.431 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C1CC1 ZINC000568499464 313961028 /nfs/dbraw/zinc/96/10/28/313961028.db2.gz CRWWXISWWMMCMN-CRPOECCBSA-N 2 1 299.418 2.146 20 0 CEADMP CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)CN(C)CC ZINC000570460754 314042360 /nfs/dbraw/zinc/04/23/60/314042360.db2.gz CXTZOOLQLKKTFC-DLBZAZTESA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)CN(C)CC ZINC000570460754 314042365 /nfs/dbraw/zinc/04/23/65/314042365.db2.gz CXTZOOLQLKKTFC-DLBZAZTESA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000570460754 314042366 /nfs/dbraw/zinc/04/23/66/314042366.db2.gz CXTZOOLQLKKTFC-DLBZAZTESA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000570460754 314042369 /nfs/dbraw/zinc/04/23/69/314042369.db2.gz CXTZOOLQLKKTFC-DLBZAZTESA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@H]1Cc2ccccc2C[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000570460754 314042372 /nfs/dbraw/zinc/04/23/72/314042372.db2.gz CXTZOOLQLKKTFC-DLBZAZTESA-N 2 1 276.424 2.136 20 0 CEADMP CC[C@H]1Cc2ccccc2C[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000570460754 314042376 /nfs/dbraw/zinc/04/23/76/314042376.db2.gz CXTZOOLQLKKTFC-DLBZAZTESA-N 2 1 276.424 2.136 20 0 CEADMP C[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000571770228 314104840 /nfs/dbraw/zinc/10/48/40/314104840.db2.gz UXACXHGLVCWDQP-ZOBUZTSGSA-N 2 1 276.424 2.258 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1cccc(-n2cccn2)c1)C1CCCC1 ZINC000571770139 314105098 /nfs/dbraw/zinc/10/50/98/314105098.db2.gz LAUUCXIMAAGRNI-KRWDZBQOSA-N 2 1 284.407 2.479 20 0 CEADMP CC[C@@H]1C[N@H+](CCCc2cncn2C)C[C@H](CC)O1 ZINC000571773483 314105761 /nfs/dbraw/zinc/10/57/61/314105761.db2.gz DAIYTXVKTYWJKZ-GASCZTMLSA-N 2 1 265.401 2.242 20 0 CEADMP CCc1noc(CC)c1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000571908331 314110568 /nfs/dbraw/zinc/11/05/68/314110568.db2.gz XPPXVBYEFLAPTE-SMDDNHRTSA-N 2 1 265.401 2.277 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000573383060 314154638 /nfs/dbraw/zinc/15/46/38/314154638.db2.gz GIBXHBIWEAKURA-AAEUAGOBSA-N 2 1 295.814 2.480 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000573722208 314173693 /nfs/dbraw/zinc/17/36/93/314173693.db2.gz AJAAZJHRIFDSRS-INIZCTEOSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1C ZINC000575135067 314208981 /nfs/dbraw/zinc/20/89/81/314208981.db2.gz QYAPKUHTAGSMEG-ZWKOTPCHSA-N 2 1 290.451 2.315 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1C ZINC000575135067 314208984 /nfs/dbraw/zinc/20/89/84/314208984.db2.gz QYAPKUHTAGSMEG-ZWKOTPCHSA-N 2 1 290.451 2.315 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1C ZINC000575135067 314208988 /nfs/dbraw/zinc/20/89/88/314208988.db2.gz QYAPKUHTAGSMEG-ZWKOTPCHSA-N 2 1 290.451 2.315 20 0 CEADMP COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000576107400 314242026 /nfs/dbraw/zinc/24/20/26/314242026.db2.gz MPONBLFWJITAJR-LHRNQBEKSA-N 2 1 260.381 2.379 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000576107400 314242027 /nfs/dbraw/zinc/24/20/27/314242027.db2.gz MPONBLFWJITAJR-LHRNQBEKSA-N 2 1 260.381 2.379 20 0 CEADMP C[C@@H](O)C[N@H+](CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000576170009 314249183 /nfs/dbraw/zinc/24/91/83/314249183.db2.gz ZPBMOWXVOXCWIQ-CQSZACIVSA-N 2 1 279.428 2.368 20 0 CEADMP C[C@@H](O)C[N@@H+](CCCc1c[nH+]cn1C)C1CCCCC1 ZINC000576170009 314249188 /nfs/dbraw/zinc/24/91/88/314249188.db2.gz ZPBMOWXVOXCWIQ-CQSZACIVSA-N 2 1 279.428 2.368 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000576576568 314289355 /nfs/dbraw/zinc/28/93/55/314289355.db2.gz GWKXLWPQEMXTND-NVXWUHKLSA-N 2 1 276.424 2.052 20 0 CEADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000576576568 314289359 /nfs/dbraw/zinc/28/93/59/314289359.db2.gz GWKXLWPQEMXTND-NVXWUHKLSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(OC2CCCCC2)nc1)C1C[NH2+]C1 ZINC000576861275 314317837 /nfs/dbraw/zinc/31/78/37/314317837.db2.gz RCVQHCWQHZPAMP-CYBMUJFWSA-N 2 1 289.423 2.491 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000577151730 314345944 /nfs/dbraw/zinc/34/59/44/314345944.db2.gz OCVPYDNHWXKFQC-LVQVYYBASA-N 2 1 269.477 2.425 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000577151730 314345946 /nfs/dbraw/zinc/34/59/46/314345946.db2.gz OCVPYDNHWXKFQC-LVQVYYBASA-N 2 1 269.477 2.425 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000577151730 314345949 /nfs/dbraw/zinc/34/59/49/314345949.db2.gz OCVPYDNHWXKFQC-LVQVYYBASA-N 2 1 269.477 2.425 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000577624943 314397264 /nfs/dbraw/zinc/39/72/64/314397264.db2.gz ZFNXIIWLQJGMQG-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000577624943 314397265 /nfs/dbraw/zinc/39/72/65/314397265.db2.gz ZFNXIIWLQJGMQG-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000577624943 314397267 /nfs/dbraw/zinc/39/72/67/314397267.db2.gz ZFNXIIWLQJGMQG-CABCVRRESA-N 2 1 295.471 2.050 20 0 CEADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccnc2OCC(F)F)C1 ZINC000579494396 314593934 /nfs/dbraw/zinc/59/39/34/314593934.db2.gz NAHSFQRQCZVNJA-RYUDHWBXSA-N 2 1 285.338 2.085 20 0 CEADMP C[C@@H]([NH2+]Cc1cccc(F)c1F)[C@H]1CCC[NH2+]C1 ZINC000579567765 314600800 /nfs/dbraw/zinc/60/08/00/314600800.db2.gz CXLUSEFGRHRMAG-MNOVXSKESA-N 2 1 254.324 2.443 20 0 CEADMP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000580324222 322311434 /nfs/dbraw/zinc/31/14/34/322311434.db2.gz AWBOGZATDDKJAG-LSDHHAIUSA-N 2 1 262.397 2.494 20 0 CEADMP C[C@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1c[nH+]ccc1N ZINC000580541158 322324730 /nfs/dbraw/zinc/32/47/30/322324730.db2.gz DNSFPCBPQXDFAR-STQMWFEESA-N 2 1 274.412 2.162 20 0 CEADMP C[C@@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1c[nH+]ccc1N ZINC000580541155 322324784 /nfs/dbraw/zinc/32/47/84/322324784.db2.gz DNSFPCBPQXDFAR-CHWSQXEVSA-N 2 1 274.412 2.162 20 0 CEADMP C[C@@H](Cc1ccsc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000580860998 322349650 /nfs/dbraw/zinc/34/96/50/322349650.db2.gz PHRUTICREVMWRN-HNNXBMFYSA-N 2 1 297.512 2.494 20 0 CEADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccncc2C)CC1 ZINC000581171915 322374617 /nfs/dbraw/zinc/37/46/17/322374617.db2.gz FBOSMMLDXQBNAR-UHFFFAOYSA-N 2 1 298.390 2.116 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC23CCOCC3)CC[N@@H+]1C ZINC000558618999 327108855 /nfs/dbraw/zinc/10/88/55/327108855.db2.gz ZHMHKAGJVSZPMV-MCIONIFRSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC23CCOCC3)CC[N@H+]1C ZINC000558618999 327108857 /nfs/dbraw/zinc/10/88/57/327108857.db2.gz ZHMHKAGJVSZPMV-MCIONIFRSA-N 2 1 252.402 2.018 20 0 CEADMP COc1ccccc1/C=C/C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357087027 533950266 /nfs/dbraw/zinc/95/02/66/533950266.db2.gz SDKRCKCMIQJXSU-RKIWFNSJSA-N 2 1 272.392 2.250 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357087027 533950274 /nfs/dbraw/zinc/95/02/74/533950274.db2.gz SDKRCKCMIQJXSU-RKIWFNSJSA-N 2 1 272.392 2.250 20 0 CEADMP C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000400459188 534077665 /nfs/dbraw/zinc/07/76/65/534077665.db2.gz QYJBOHVOYTYWKE-YQQAZPJKSA-N 2 1 275.440 2.237 20 0 CEADMP OC[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411280302 534383223 /nfs/dbraw/zinc/38/32/23/534383223.db2.gz DRUYEOPEEWEIQA-GOSISDBHSA-N 2 1 288.435 2.487 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)NCC(C)(C)[NH+](C)C)c1ccccc1 ZINC000068230939 520269885 /nfs/dbraw/zinc/26/98/85/520269885.db2.gz PRDGIAVVXGCIKC-OAHLLOKOSA-N 2 1 291.439 2.136 20 0 CEADMP CCCCOC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157344283 520704703 /nfs/dbraw/zinc/70/47/03/520704703.db2.gz MTHFZCXJVXSELS-OAHLLOKOSA-N 2 1 282.428 2.138 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157344283 520704709 /nfs/dbraw/zinc/70/47/09/520704709.db2.gz MTHFZCXJVXSELS-OAHLLOKOSA-N 2 1 282.428 2.138 20 0 CEADMP CCC[C@H](C)C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367719587 521019927 /nfs/dbraw/zinc/01/99/27/521019927.db2.gz IOLKHALFCJLSCX-IRXDYDNUSA-N 2 1 281.488 2.382 20 0 CEADMP COCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069509410 523828868 /nfs/dbraw/zinc/82/88/68/523828868.db2.gz HTWGTQFUFDJMER-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP COCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069509410 523828873 /nfs/dbraw/zinc/82/88/73/523828873.db2.gz HTWGTQFUFDJMER-OAHLLOKOSA-N 2 1 254.418 2.221 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1COC(C)(C)C1 ZINC000417916746 534768635 /nfs/dbraw/zinc/76/86/35/534768635.db2.gz AFTCRESEDSPZHX-CYBMUJFWSA-N 2 1 251.374 2.129 20 0 CEADMP Cc1ncsc1CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000172848830 534796660 /nfs/dbraw/zinc/79/66/60/534796660.db2.gz RCQDUQRVCQEZOW-DGCLKSJQSA-N 2 1 267.442 2.409 20 0 CEADMP Cc1ncsc1CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000172848830 534796665 /nfs/dbraw/zinc/79/66/65/534796665.db2.gz RCQDUQRVCQEZOW-DGCLKSJQSA-N 2 1 267.442 2.409 20 0 CEADMP Cc1ncsc1CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000172848830 534796672 /nfs/dbraw/zinc/79/66/72/534796672.db2.gz RCQDUQRVCQEZOW-DGCLKSJQSA-N 2 1 267.442 2.409 20 0 CEADMP Cc1ncsc1CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000172848830 534796675 /nfs/dbraw/zinc/79/66/75/534796675.db2.gz RCQDUQRVCQEZOW-DGCLKSJQSA-N 2 1 267.442 2.409 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000163914755 524741262 /nfs/dbraw/zinc/74/12/62/524741262.db2.gz NAMBBPFKWKHSQU-HUUCEWRRSA-N 2 1 262.397 2.291 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN(C)Cc1ccccc1 ZINC000151029951 524899125 /nfs/dbraw/zinc/89/91/25/524899125.db2.gz BCGWENFWPSDKDI-WBVHZDCISA-N 2 1 275.440 2.048 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[Si](C)(C)C ZINC000363705555 524971557 /nfs/dbraw/zinc/97/15/57/524971557.db2.gz JSJAQWSRHXNAFZ-ILXRZTDVSA-N 2 1 284.520 2.343 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[Si](C)(C)C ZINC000363705555 524971567 /nfs/dbraw/zinc/97/15/67/524971567.db2.gz JSJAQWSRHXNAFZ-ILXRZTDVSA-N 2 1 284.520 2.343 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000366732396 526253260 /nfs/dbraw/zinc/25/32/60/526253260.db2.gz WUTFLIIJQPZURL-CHWSQXEVSA-N 2 1 293.411 2.155 20 0 CEADMP Cc1noc(C2(C)CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000364700108 526578523 /nfs/dbraw/zinc/57/85/23/526578523.db2.gz UXKFRJASVWJHDJ-AWEZNQCLSA-N 2 1 292.427 2.216 20 0 CEADMP Cc1noc(C2(C)CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000364700108 526578529 /nfs/dbraw/zinc/57/85/29/526578529.db2.gz UXKFRJASVWJHDJ-AWEZNQCLSA-N 2 1 292.427 2.216 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000365132390 527424262 /nfs/dbraw/zinc/42/42/62/527424262.db2.gz HWUONCROOACTTA-QLFBSQMISA-N 2 1 275.396 2.129 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2cncs2)C[C@@H]1C ZINC000411302579 527752184 /nfs/dbraw/zinc/75/21/84/527752184.db2.gz GADMAYMOJLCNBL-QWHCGFSZSA-N 2 1 267.442 2.490 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2cncs2)C[C@@H]1C ZINC000411302579 527752190 /nfs/dbraw/zinc/75/21/90/527752190.db2.gz GADMAYMOJLCNBL-QWHCGFSZSA-N 2 1 267.442 2.490 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2cncs2)C[C@@H]1C ZINC000411302579 527752194 /nfs/dbraw/zinc/75/21/94/527752194.db2.gz GADMAYMOJLCNBL-QWHCGFSZSA-N 2 1 267.442 2.490 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2cncs2)C[C@@H]1C ZINC000411302579 527752199 /nfs/dbraw/zinc/75/21/99/527752199.db2.gz GADMAYMOJLCNBL-QWHCGFSZSA-N 2 1 267.442 2.490 20 0 CEADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000414345754 527799011 /nfs/dbraw/zinc/79/90/11/527799011.db2.gz PGGGUAHTQDCHCV-MRXNPFEDSA-N 2 1 279.472 2.467 20 0 CEADMP CCN1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000414345754 527799013 /nfs/dbraw/zinc/79/90/13/527799013.db2.gz PGGGUAHTQDCHCV-MRXNPFEDSA-N 2 1 279.472 2.467 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2cncs2)C1 ZINC000411305473 527838496 /nfs/dbraw/zinc/83/84/96/527838496.db2.gz JWBGBYDSJIVLBD-ZDUSSCGKSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cncs2)C1 ZINC000411305473 527838501 /nfs/dbraw/zinc/83/85/01/527838501.db2.gz JWBGBYDSJIVLBD-ZDUSSCGKSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2cncs2)C1 ZINC000411305473 527838502 /nfs/dbraw/zinc/83/85/02/527838502.db2.gz JWBGBYDSJIVLBD-ZDUSSCGKSA-N 2 1 267.442 2.349 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cncs2)C1 ZINC000411305473 527838506 /nfs/dbraw/zinc/83/85/06/527838506.db2.gz JWBGBYDSJIVLBD-ZDUSSCGKSA-N 2 1 267.442 2.349 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400407691 528118519 /nfs/dbraw/zinc/11/85/19/528118519.db2.gz RZQPQBVNAOKXLP-SOUVJXGZSA-N 2 1 255.450 2.227 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2COC(C)(C)C2)[C@H](C)C1 ZINC000417922457 528668394 /nfs/dbraw/zinc/66/83/94/528668394.db2.gz TVZMGDRYNAMPGI-PMPSAXMXSA-N 2 1 298.471 2.281 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)C[C@@H]2C)CC1 ZINC000412046432 528993356 /nfs/dbraw/zinc/99/33/56/528993356.db2.gz RGJRKHFKKVMUME-AWEZNQCLSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@]1(C(=O)NCCC[N@@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC000128946265 536024952 /nfs/dbraw/zinc/02/49/52/536024952.db2.gz KUDPCWGSIHNRTB-KRWDZBQOSA-N 2 1 295.471 2.289 20 0 CEADMP c1nc(C2CC2)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000335352614 574469474 /nfs/dbraw/zinc/46/94/74/574469474.db2.gz FHEFVVQRNYKHKY-VXGBXAGGSA-N 2 1 263.410 2.062 20 0 CEADMP c1nc(C2CC2)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000335352614 574469476 /nfs/dbraw/zinc/46/94/76/574469476.db2.gz FHEFVVQRNYKHKY-VXGBXAGGSA-N 2 1 263.410 2.062 20 0 CEADMP CCC/C=C/C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000729357782 574486144 /nfs/dbraw/zinc/48/61/44/574486144.db2.gz QCGPYMOYDFWCNK-KXKDPZRNSA-N 2 1 295.471 2.217 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000733870529 574688956 /nfs/dbraw/zinc/68/89/56/574688956.db2.gz SHSRBUMJNSGCSE-MRXNPFEDSA-N 2 1 295.471 2.243 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000734058626 574699525 /nfs/dbraw/zinc/69/95/25/574699525.db2.gz VJGRCFKQGXHPBY-IAGOWNOFSA-N 2 1 278.440 2.265 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000735650239 574763504 /nfs/dbraw/zinc/76/35/04/574763504.db2.gz NOIIDTHZOXYQTC-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000735650239 574763505 /nfs/dbraw/zinc/76/35/05/574763505.db2.gz NOIIDTHZOXYQTC-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000735650239 574763506 /nfs/dbraw/zinc/76/35/06/574763506.db2.gz NOIIDTHZOXYQTC-HZPDHXFCSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1cc2ncn(C[N@H+]3CC[C@H](C[NH+](C)C)C3)c2cc1C ZINC000738225009 574854543 /nfs/dbraw/zinc/85/45/43/574854543.db2.gz PYNRUDARIGVCCI-OAHLLOKOSA-N 2 1 286.423 2.494 20 0 CEADMP Cc1cc2ncn(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)c2cc1C ZINC000738225009 574854545 /nfs/dbraw/zinc/85/45/45/574854545.db2.gz PYNRUDARIGVCCI-OAHLLOKOSA-N 2 1 286.423 2.494 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000741139440 574977080 /nfs/dbraw/zinc/97/70/80/574977080.db2.gz SMERFYLGRIYZSU-BETUJISGSA-N 2 1 299.378 2.079 20 0 CEADMP C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000741139440 574977082 /nfs/dbraw/zinc/97/70/82/574977082.db2.gz SMERFYLGRIYZSU-BETUJISGSA-N 2 1 299.378 2.079 20 0 CEADMP CCCOC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000741783016 574998065 /nfs/dbraw/zinc/99/80/65/574998065.db2.gz PSOQHGHPAFKFKV-CQSZACIVSA-N 2 1 284.444 2.380 20 0 CEADMP CCCOC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000741783016 574998066 /nfs/dbraw/zinc/99/80/66/574998066.db2.gz PSOQHGHPAFKFKV-CQSZACIVSA-N 2 1 284.444 2.380 20 0 CEADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000746667273 575162436 /nfs/dbraw/zinc/16/24/36/575162436.db2.gz GFDJPCQPCKLRHA-SJLPKXTDSA-N 2 1 288.435 2.384 20 0 CEADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC000746667273 575162437 /nfs/dbraw/zinc/16/24/37/575162437.db2.gz GFDJPCQPCKLRHA-SJLPKXTDSA-N 2 1 288.435 2.384 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000746667273 575162438 /nfs/dbraw/zinc/16/24/38/575162438.db2.gz GFDJPCQPCKLRHA-SJLPKXTDSA-N 2 1 288.435 2.384 20 0 CEADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000746667273 575162439 /nfs/dbraw/zinc/16/24/39/575162439.db2.gz GFDJPCQPCKLRHA-SJLPKXTDSA-N 2 1 288.435 2.384 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000753706371 575336325 /nfs/dbraw/zinc/33/63/25/575336325.db2.gz LNHBZVVKFBAOFT-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000753706371 575336327 /nfs/dbraw/zinc/33/63/27/575336327.db2.gz LNHBZVVKFBAOFT-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000753706371 575336329 /nfs/dbraw/zinc/33/63/29/575336329.db2.gz LNHBZVVKFBAOFT-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH2+][C@@H]1CCC[N@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000753745718 575339088 /nfs/dbraw/zinc/33/90/88/575339088.db2.gz BZAUNHFNHPJLHU-MRXNPFEDSA-N 2 1 296.455 2.382 20 0 CEADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000753745718 575339089 /nfs/dbraw/zinc/33/90/89/575339089.db2.gz BZAUNHFNHPJLHU-MRXNPFEDSA-N 2 1 296.455 2.382 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3CCC4(CCC4)O3)C2)C1 ZINC000878646020 651150612 /nfs/dbraw/zinc/15/06/12/651150612.db2.gz TVVCNIMJDGUJSL-CABCVRRESA-N 2 1 264.413 2.116 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CCC4(CCC4)O3)C2)C1 ZINC000878646020 651150614 /nfs/dbraw/zinc/15/06/14/651150614.db2.gz TVVCNIMJDGUJSL-CABCVRRESA-N 2 1 264.413 2.116 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000960132663 613950594 /nfs/dbraw/zinc/95/05/94/613950594.db2.gz XJTYVSQJTNJXSO-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000969152373 613968612 /nfs/dbraw/zinc/96/86/12/613968612.db2.gz PRGFDYDFYIIDHM-CQSZACIVSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC000960917788 614258976 /nfs/dbraw/zinc/25/89/76/614258976.db2.gz RRDAYQAULRHJOB-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000961029325 614259439 /nfs/dbraw/zinc/25/94/39/614259439.db2.gz VNGRGYDKEQWWCO-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919666 614632271 /nfs/dbraw/zinc/63/22/71/614632271.db2.gz HYAQRNKOHBOLSK-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919666 614632275 /nfs/dbraw/zinc/63/22/75/614632275.db2.gz HYAQRNKOHBOLSK-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000968919666 614632278 /nfs/dbraw/zinc/63/22/78/614632278.db2.gz HYAQRNKOHBOLSK-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000968919666 614632281 /nfs/dbraw/zinc/63/22/81/614632281.db2.gz HYAQRNKOHBOLSK-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC(C[NH2+]C(C)C)C2)C1 ZINC000962216375 614668984 /nfs/dbraw/zinc/66/89/84/614668984.db2.gz HPGUYJLAOOYVLK-PCKAHOCUSA-N 2 1 295.471 2.001 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC)CC1 ZINC000963385974 614676837 /nfs/dbraw/zinc/67/68/37/614676837.db2.gz RYPPHAOWEYZHDW-GPANFISMSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000969792487 614973127 /nfs/dbraw/zinc/97/31/27/614973127.db2.gz JTTACXFHUXSYEG-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969653820 614973220 /nfs/dbraw/zinc/97/32/20/614973220.db2.gz MOXQRKVKFVOTJZ-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000969144382 614979609 /nfs/dbraw/zinc/97/96/09/614979609.db2.gz KTBCMWDCKNCVQJ-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000969144382 614979610 /nfs/dbraw/zinc/97/96/10/614979610.db2.gz KTBCMWDCKNCVQJ-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969144382 614979612 /nfs/dbraw/zinc/97/96/12/614979612.db2.gz KTBCMWDCKNCVQJ-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000981199762 614985339 /nfs/dbraw/zinc/98/53/39/614985339.db2.gz BCDXRRVCHBAQFK-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000981199762 614985342 /nfs/dbraw/zinc/98/53/42/614985342.db2.gz BCDXRRVCHBAQFK-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000981199762 614985346 /nfs/dbraw/zinc/98/53/46/614985346.db2.gz BCDXRRVCHBAQFK-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948245246 614988366 /nfs/dbraw/zinc/98/83/66/614988366.db2.gz NZCJUHJVUZACHQ-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000948245246 614988369 /nfs/dbraw/zinc/98/83/69/614988369.db2.gz NZCJUHJVUZACHQ-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000948245246 614988371 /nfs/dbraw/zinc/98/83/71/614988371.db2.gz NZCJUHJVUZACHQ-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974733199 615032481 /nfs/dbraw/zinc/03/24/81/615032481.db2.gz RNQPWSBTSWJZFG-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974733199 615032482 /nfs/dbraw/zinc/03/24/82/615032482.db2.gz RNQPWSBTSWJZFG-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000974733199 615032484 /nfs/dbraw/zinc/03/24/84/615032484.db2.gz RNQPWSBTSWJZFG-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000974733199 615032486 /nfs/dbraw/zinc/03/24/86/615032486.db2.gz RNQPWSBTSWJZFG-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364174 615124124 /nfs/dbraw/zinc/12/41/24/615124124.db2.gz CBIQSDHSSXPVOJ-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364174 615124125 /nfs/dbraw/zinc/12/41/25/615124125.db2.gz CBIQSDHSSXPVOJ-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948364174 615124126 /nfs/dbraw/zinc/12/41/26/615124126.db2.gz CBIQSDHSSXPVOJ-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940942278 615208216 /nfs/dbraw/zinc/20/82/16/615208216.db2.gz BZDPEKCJTHXODT-CQSZACIVSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000981456558 615439851 /nfs/dbraw/zinc/43/98/51/615439851.db2.gz CUWOOPUELSZDIA-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)C[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000981456558 615439853 /nfs/dbraw/zinc/43/98/53/615439853.db2.gz CUWOOPUELSZDIA-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)C[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000981456558 615439854 /nfs/dbraw/zinc/43/98/54/615439854.db2.gz CUWOOPUELSZDIA-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001024365779 625532979 /nfs/dbraw/zinc/53/29/79/625532979.db2.gz HRMPKIRFTLNEFS-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001024365779 625532982 /nfs/dbraw/zinc/53/29/82/625532982.db2.gz HRMPKIRFTLNEFS-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP C[C@@H]([NH3+])C1CC[NH+](Cc2ncccc2Br)CC1 ZINC000310441415 625568970 /nfs/dbraw/zinc/56/89/70/625568970.db2.gz PTJGGSIJRJBPBW-SNVBAGLBSA-N 2 1 298.228 2.403 20 0 CEADMP CO[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C12CCC2 ZINC000308384892 623675302 /nfs/dbraw/zinc/67/53/02/623675302.db2.gz ZWNFTWDDNAXAHY-KGLIPLIRSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C[C@H]1C ZINC000933372726 623689778 /nfs/dbraw/zinc/68/97/78/623689778.db2.gz UUQNIAMCVVXPNZ-OWCLPIDISA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC000933372726 623689781 /nfs/dbraw/zinc/68/97/81/623689781.db2.gz UUQNIAMCVVXPNZ-OWCLPIDISA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC000933372726 623689787 /nfs/dbraw/zinc/68/97/87/623689787.db2.gz UUQNIAMCVVXPNZ-OWCLPIDISA-N 2 1 295.471 2.190 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C[C@@H]1C ZINC000933372724 623690199 /nfs/dbraw/zinc/69/01/99/623690199.db2.gz UUQNIAMCVVXPNZ-JYJNAYRXSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1C ZINC000933372724 623690204 /nfs/dbraw/zinc/69/02/04/623690204.db2.gz UUQNIAMCVVXPNZ-JYJNAYRXSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@@H]1C ZINC000933372724 623690216 /nfs/dbraw/zinc/69/02/16/623690216.db2.gz UUQNIAMCVVXPNZ-JYJNAYRXSA-N 2 1 295.471 2.190 20 0 CEADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(OC)n1 ZINC000926207610 623875668 /nfs/dbraw/zinc/87/56/68/623875668.db2.gz TVRYCEWEDMBRLS-CYBMUJFWSA-N 2 1 274.368 2.107 20 0 CEADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cs1 ZINC000933733314 623981730 /nfs/dbraw/zinc/98/17/30/623981730.db2.gz IBTQTAOCEXIEAE-KGLIPLIRSA-N 2 1 250.411 2.440 20 0 CEADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cs1 ZINC000933733314 623981731 /nfs/dbraw/zinc/98/17/31/623981731.db2.gz IBTQTAOCEXIEAE-KGLIPLIRSA-N 2 1 250.411 2.440 20 0 CEADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cs1 ZINC000933733314 623981734 /nfs/dbraw/zinc/98/17/34/623981734.db2.gz IBTQTAOCEXIEAE-KGLIPLIRSA-N 2 1 250.411 2.440 20 0 CEADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cs1 ZINC000933733314 623981738 /nfs/dbraw/zinc/98/17/38/623981738.db2.gz IBTQTAOCEXIEAE-KGLIPLIRSA-N 2 1 250.411 2.440 20 0 CEADMP CO[C@@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)C1CCCCC1 ZINC000933733411 623982893 /nfs/dbraw/zinc/98/28/93/623982893.db2.gz IVFFMEPKJFHWTI-YESZJQIVSA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)C1CCCCC1 ZINC000933733411 623982898 /nfs/dbraw/zinc/98/28/98/623982898.db2.gz IVFFMEPKJFHWTI-YESZJQIVSA-N 2 1 280.456 2.465 20 0 CEADMP CO[C@@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)C1CCCCC1 ZINC000933733411 623982903 /nfs/dbraw/zinc/98/29/03/623982903.db2.gz IVFFMEPKJFHWTI-YESZJQIVSA-N 2 1 280.456 2.465 20 0 CEADMP CN(CCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933734356 623982941 /nfs/dbraw/zinc/98/29/41/623982941.db2.gz RGIJWAOAZQYBAU-FUHWJXTLSA-N 2 1 287.451 2.396 20 0 CEADMP CN(CCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933734356 623982944 /nfs/dbraw/zinc/98/29/44/623982944.db2.gz RGIJWAOAZQYBAU-FUHWJXTLSA-N 2 1 287.451 2.396 20 0 CEADMP CN(CCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933734356 623982949 /nfs/dbraw/zinc/98/29/49/623982949.db2.gz RGIJWAOAZQYBAU-FUHWJXTLSA-N 2 1 287.451 2.396 20 0 CEADMP C[N@@H+](C[C@@H]1C[C@]1(C)Br)CC1CC[NH+](C)CC1 ZINC000891933761 624114587 /nfs/dbraw/zinc/11/45/87/624114587.db2.gz MZDWHSRMTMFAIT-STQMWFEESA-N 2 1 289.261 2.434 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@]1(C)Br)CC1CC[NH+](C)CC1 ZINC000891933758 624115092 /nfs/dbraw/zinc/11/50/92/624115092.db2.gz MZDWHSRMTMFAIT-CHWSQXEVSA-N 2 1 289.261 2.434 20 0 CEADMP OCc1c[nH+]ccc1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000892540647 625937829 /nfs/dbraw/zinc/93/78/29/625937829.db2.gz OHWXZVXHAVDFHX-QGZVFWFLSA-N 2 1 297.402 2.072 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCO1 ZINC000820828833 634543590 /nfs/dbraw/zinc/54/35/90/634543590.db2.gz BYVXIDZWKMJDPD-WYIYSYCWSA-N 2 1 264.413 2.301 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)[C@H]1OC ZINC000892583316 627289932 /nfs/dbraw/zinc/28/99/32/627289932.db2.gz CDAPQRZZYMTXIK-MWDXBVQZSA-N 2 1 298.471 2.281 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000892622320 627319336 /nfs/dbraw/zinc/31/93/36/627319336.db2.gz HUWOTHBSUBVPSQ-NWDGAFQWSA-N 2 1 286.217 2.345 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902319138 634568111 /nfs/dbraw/zinc/56/81/11/634568111.db2.gz SEBBIUHHPKMDBH-HOTGVXAUSA-N 3 1 281.488 2.475 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](CN[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902319138 634568113 /nfs/dbraw/zinc/56/81/13/634568113.db2.gz SEBBIUHHPKMDBH-HOTGVXAUSA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902319138 634568114 /nfs/dbraw/zinc/56/81/14/634568114.db2.gz SEBBIUHHPKMDBH-HOTGVXAUSA-N 2 1 281.488 2.475 20 0 CEADMP Cc1[nH+]ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1Br ZINC000892673076 627387729 /nfs/dbraw/zinc/38/77/29/627387729.db2.gz FPQDAFGIXMRDSI-ONGXEEELSA-N 2 1 298.228 2.469 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)N1CCC(C)CC1 ZINC000902326716 634589280 /nfs/dbraw/zinc/58/92/80/634589280.db2.gz DHKSWRLXBWDBHI-HZPDHXFCSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@H]1CCC[N@@H+](CCN[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902337474 634598528 /nfs/dbraw/zinc/59/85/28/634598528.db2.gz HLFJMDSWPCNOGZ-GJZGRUSLSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@H]1CCCN(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902337474 634598530 /nfs/dbraw/zinc/59/85/30/634598530.db2.gz HLFJMDSWPCNOGZ-GJZGRUSLSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902337473 634598597 /nfs/dbraw/zinc/59/85/97/634598597.db2.gz HLFJMDSWPCNOGZ-CABCVRRESA-N 2 1 267.461 2.086 20 0 CEADMP C[C@@H]1CCCN(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902337473 634598599 /nfs/dbraw/zinc/59/85/99/634598599.db2.gz HLFJMDSWPCNOGZ-CABCVRRESA-N 2 1 267.461 2.086 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358120 634615183 /nfs/dbraw/zinc/61/51/83/634615183.db2.gz AWYBFMUHPRDSNR-CQSZACIVSA-N 2 1 255.450 2.085 20 0 CEADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358120 634615185 /nfs/dbraw/zinc/61/51/85/634615185.db2.gz AWYBFMUHPRDSNR-CQSZACIVSA-N 3 1 255.450 2.085 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358120 634615188 /nfs/dbraw/zinc/61/51/88/634615188.db2.gz AWYBFMUHPRDSNR-CQSZACIVSA-N 3 1 255.450 2.085 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000925503377 627995923 /nfs/dbraw/zinc/99/59/23/627995923.db2.gz NBDJZDPPZKNMKY-QLFBSQMISA-N 2 1 267.461 2.227 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CC[NH2+]C(C)(C)C ZINC000930546007 628076349 /nfs/dbraw/zinc/07/63/49/628076349.db2.gz QDVDMJCQOBUWFV-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902386056 634629010 /nfs/dbraw/zinc/62/90/10/634629010.db2.gz BBXZRUAAPANDGJ-CABCVRRESA-N 2 1 269.477 2.475 20 0 CEADMP C[C@H]([NH3+])CCN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902390637 634631939 /nfs/dbraw/zinc/63/19/39/634631939.db2.gz OYYSMAYMPNDYFM-NHYWBVRUSA-N 2 1 285.382 2.462 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902393424 634632327 /nfs/dbraw/zinc/63/23/27/634632327.db2.gz QXZDBUINWUDYHZ-INIZCTEOSA-N 2 1 275.440 2.274 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000902393387 634632651 /nfs/dbraw/zinc/63/26/51/634632651.db2.gz QMKDJNZNRWINFG-ARFHVFGLSA-N 2 1 279.472 2.371 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000902393387 634632656 /nfs/dbraw/zinc/63/26/56/634632656.db2.gz QMKDJNZNRWINFG-ARFHVFGLSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000925558946 628224486 /nfs/dbraw/zinc/22/44/86/628224486.db2.gz UGEKMQVVGDEPFR-JQWIXIFHSA-N 2 1 253.777 2.008 20 0 CEADMP C[N@@H+]1CCN(C(=O)CCCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000312346938 628240464 /nfs/dbraw/zinc/24/04/64/628240464.db2.gz AFAOWOXQASADJP-INIZCTEOSA-N 2 1 289.423 2.021 20 0 CEADMP C[N@H+]1CCN(C(=O)CCCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000312346938 628240465 /nfs/dbraw/zinc/24/04/65/628240465.db2.gz AFAOWOXQASADJP-INIZCTEOSA-N 2 1 289.423 2.021 20 0 CEADMP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925601456 628280514 /nfs/dbraw/zinc/28/05/14/628280514.db2.gz ZQDLSRVYXYBHLY-SOUVJXGZSA-N 2 1 260.381 2.234 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000925615535 628300099 /nfs/dbraw/zinc/30/00/99/628300099.db2.gz OAFXXWZTSSONIR-INIZCTEOSA-N 2 1 288.439 2.028 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2C2CCOCC2)CC1 ZINC000893316278 628301339 /nfs/dbraw/zinc/30/13/39/628301339.db2.gz BIOXSCAAUBCRIZ-INIZCTEOSA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925616214 628301654 /nfs/dbraw/zinc/30/16/54/628301654.db2.gz KXDKJZBMNSXPIW-JKSUJKDBSA-N 2 1 279.472 2.229 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925616976 628303151 /nfs/dbraw/zinc/30/31/51/628303151.db2.gz OWDMRECHTUAKMG-OAGGEKHMSA-N 2 1 267.461 2.085 20 0 CEADMP Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925620123 628310415 /nfs/dbraw/zinc/31/04/15/628310415.db2.gz UIUBXAUAFDMAMW-HZPDHXFCSA-N 2 1 299.422 2.491 20 0 CEADMP C[C@H]([NH3+])[C@@H]([NH2+]CCC[C@H](C)CO)c1ccccc1 ZINC000925627493 628321287 /nfs/dbraw/zinc/32/12/87/628321287.db2.gz AWZBCMUBLDTIII-KCQAQPDRSA-N 2 1 250.386 2.073 20 0 CEADMP COc1ccc(OC)c(CCC[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925629026 628324545 /nfs/dbraw/zinc/32/45/45/628324545.db2.gz JWRASUVNQRZLSX-CJNGLKHVSA-N 2 1 292.423 2.367 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1c[nH+]ccc1N ZINC000902428468 634649079 /nfs/dbraw/zinc/64/90/79/634649079.db2.gz DCCPICXMAIICDY-ITDIGPHOSA-N 2 1 261.369 2.102 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@](C)(O)c1ccccc1 ZINC000925642331 628340096 /nfs/dbraw/zinc/34/00/96/628340096.db2.gz FWPKCGTXBWPIJY-IMJJTQAJSA-N 2 1 262.397 2.014 20 0 CEADMP CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001026502717 628340203 /nfs/dbraw/zinc/34/02/03/628340203.db2.gz APSNGZHNFVUNPS-GPANFISMSA-N 2 1 295.471 2.288 20 0 CEADMP C[C@@H]1[C@H]([NH+](C)C)CCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000931044652 628344109 /nfs/dbraw/zinc/34/41/09/628344109.db2.gz VIZJRKGDHWCBKE-KBAYOESNSA-N 2 1 287.451 2.285 20 0 CEADMP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[NH2+]C23CCC3)s1 ZINC000925647390 628349089 /nfs/dbraw/zinc/34/90/89/628349089.db2.gz BVAVGCDSOVVNBG-ZYHUDNBSSA-N 2 1 265.426 2.429 20 0 CEADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)C2 ZINC000925668655 628387489 /nfs/dbraw/zinc/38/74/89/628387489.db2.gz JIYVZIZRWICLGE-ILXRZTDVSA-N 2 1 288.439 2.025 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)C12CCC2 ZINC000925681364 628478046 /nfs/dbraw/zinc/47/80/46/628478046.db2.gz XLXLRZQYGSSWAG-WDEREUQCSA-N 2 1 285.313 2.460 20 0 CEADMP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000925710623 628557966 /nfs/dbraw/zinc/55/79/66/628557966.db2.gz QIMALTAATDZYFG-ZDUSSCGKSA-N 2 1 261.369 2.212 20 0 CEADMP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000925710623 628557968 /nfs/dbraw/zinc/55/79/68/628557968.db2.gz QIMALTAATDZYFG-ZDUSSCGKSA-N 2 1 261.369 2.212 20 0 CEADMP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@H](O)c3ccccc31)[NH2+]2 ZINC000925710747 628559956 /nfs/dbraw/zinc/55/99/56/628559956.db2.gz QSUBKCYPYCJNTR-HDTMEZJBSA-N 2 1 272.392 2.283 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000925721560 628588630 /nfs/dbraw/zinc/58/86/30/628588630.db2.gz FDBGQPCGVWTQGJ-IWCQGFGOSA-N 2 1 274.408 2.494 20 0 CEADMP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902447626 634670565 /nfs/dbraw/zinc/67/05/65/634670565.db2.gz APQDEOFGGPPMBH-FZMZJTMJSA-N 2 1 250.361 2.344 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)cc1OC ZINC000902448023 634671402 /nfs/dbraw/zinc/67/14/02/634671402.db2.gz WVRMWVRZLWPVTA-WBMJQRKESA-N 2 1 292.423 2.222 20 0 CEADMP CC(=O)OC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488240 628649569 /nfs/dbraw/zinc/64/95/69/628649569.db2.gz QQXHLHLFYUGUIH-KCQAQPDRSA-N 2 1 282.428 2.181 20 0 CEADMP C[C@H]([NH2+]C1CCS(=O)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000893488190 628649699 /nfs/dbraw/zinc/64/96/99/628649699.db2.gz PSEUTAOQBOFJIB-NTBNARMZSA-N 2 1 298.496 2.140 20 0 CEADMP COc1cccc2c1CC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC000893498935 628657021 /nfs/dbraw/zinc/65/70/21/628657021.db2.gz PNPUWOHSEUAJRI-UHFFFAOYSA-N 2 1 274.408 2.395 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC2(C)C)C12CCCC2 ZINC000902450444 634673479 /nfs/dbraw/zinc/67/34/79/634673479.db2.gz SEQLHAIGFQRTOK-BFHYXJOUSA-N 2 1 266.429 2.312 20 0 CEADMP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000925829057 628921322 /nfs/dbraw/zinc/92/13/22/628921322.db2.gz AKMDQZSLSPFOIJ-CABCVRRESA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)C(C(C)C)[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000925830662 628924062 /nfs/dbraw/zinc/92/40/62/628924062.db2.gz KGUBLKTZRHALTO-AWEZNQCLSA-N 2 1 270.461 2.349 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000925873263 628972090 /nfs/dbraw/zinc/97/20/90/628972090.db2.gz HIUQJOTYEAFAAE-RRQGHBQHSA-N 2 1 274.408 2.421 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000925873261 628972419 /nfs/dbraw/zinc/97/24/19/628972419.db2.gz HIUQJOTYEAFAAE-IAOVAPTHSA-N 2 1 274.408 2.421 20 0 CEADMP Cc1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(F)c1 ZINC000925873577 628972842 /nfs/dbraw/zinc/97/28/42/628972842.db2.gz CBUMKGNUSKERIA-QMTHXVAHSA-N 2 1 254.324 2.490 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000236661341 628977554 /nfs/dbraw/zinc/97/75/54/628977554.db2.gz RSYYTVSUNLIQHK-OAHLLOKOSA-N 2 1 297.487 2.380 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000924870478 629136358 /nfs/dbraw/zinc/13/63/58/629136358.db2.gz ACUZRAOPONOSGG-GFCCVEGCSA-N 2 1 273.384 2.464 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000924875019 629149239 /nfs/dbraw/zinc/14/92/39/629149239.db2.gz YIBNFIBJXYNKKJ-LBPRGKRZSA-N 2 1 273.384 2.464 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOc1cccc(F)c1 ZINC000902519194 634712467 /nfs/dbraw/zinc/71/24/67/634712467.db2.gz XOVABDFFYLDCGB-WFASDCNBSA-N 2 1 266.360 2.182 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC000924954961 629292742 /nfs/dbraw/zinc/29/27/42/629292742.db2.gz YQPMPIYCRWJSAU-OLZOCXBDSA-N 2 1 290.415 2.351 20 0 CEADMP CSC1CC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000925057168 629419304 /nfs/dbraw/zinc/41/93/04/629419304.db2.gz NYXNQLDDUPRCHW-SLTAFYQDSA-N 2 1 284.469 2.113 20 0 CEADMP Oc1cccc2c(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)cc[nH+]c12 ZINC000795082430 629433866 /nfs/dbraw/zinc/43/38/66/629433866.db2.gz YESIHJVWLDGASP-QWHCGFSZSA-N 2 1 299.374 2.216 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000894457300 629471257 /nfs/dbraw/zinc/47/12/57/629471257.db2.gz XVHTXIGLBAWIMQ-CYBMUJFWSA-N 2 1 265.376 2.349 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000894457300 629471261 /nfs/dbraw/zinc/47/12/61/629471261.db2.gz XVHTXIGLBAWIMQ-CYBMUJFWSA-N 2 1 265.376 2.349 20 0 CEADMP COCCC[N@H+](Cc1ccncc1)CC1CC[NH+](C)CC1 ZINC000894461455 629476671 /nfs/dbraw/zinc/47/66/71/629476671.db2.gz ATGRUNPXIFIPIV-UHFFFAOYSA-N 2 1 291.439 2.262 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)CC1 ZINC000894536704 629525119 /nfs/dbraw/zinc/52/51/19/629525119.db2.gz KAHRLIFCJPGJQB-SFHVURJKSA-N 2 1 299.462 2.465 20 0 CEADMP C[C@H](C[N@@H+](C)CC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000319977605 629660285 /nfs/dbraw/zinc/66/02/85/629660285.db2.gz JDMHBKXIKPYVPE-CYBMUJFWSA-N 2 1 284.444 2.238 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)CC1 ZINC000895081678 629869075 /nfs/dbraw/zinc/86/90/75/629869075.db2.gz JHPKKFXRLBTVIE-HZPDHXFCSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@@H](CC[NH2+]Cc1ccc(C(=O)NC2CC2)cc1)[NH+](C)C ZINC000895298971 630087693 /nfs/dbraw/zinc/08/76/93/630087693.db2.gz DJUISJJPVISKLN-ZDUSSCGKSA-N 2 1 289.423 2.009 20 0 CEADMP CCOCOc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1 ZINC000895296492 630089382 /nfs/dbraw/zinc/08/93/82/630089382.db2.gz MKMCGZRLRIHYGP-CQSZACIVSA-N 2 1 280.412 2.489 20 0 CEADMP COC(=O)c1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)c(C)c1 ZINC000902721402 634793525 /nfs/dbraw/zinc/79/35/25/634793525.db2.gz ZZIZYSSFGIRQFV-CYBMUJFWSA-N 2 1 278.396 2.384 20 0 CEADMP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000895463624 630205618 /nfs/dbraw/zinc/20/56/18/630205618.db2.gz YNRCEIQMLIUSSR-MKFYTORXSA-N 2 1 294.439 2.323 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccoc2)CCN1c1cc[nH+]cc1 ZINC000895555688 630247236 /nfs/dbraw/zinc/24/72/36/630247236.db2.gz AEBONODMTQXPEP-CYBMUJFWSA-N 2 1 257.337 2.385 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccoc2)CCN1c1cc[nH+]cc1 ZINC000895555688 630247240 /nfs/dbraw/zinc/24/72/40/630247240.db2.gz AEBONODMTQXPEP-CYBMUJFWSA-N 2 1 257.337 2.385 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[C@@H]2CCO2)CCN1c1cc[nH+]cc1 ZINC000895557411 630248864 /nfs/dbraw/zinc/24/88/64/630248864.db2.gz PJIOSQHJDONGEV-GDBMZVCRSA-N 2 1 275.396 2.161 20 0 CEADMP CC(C)c1ncc2c(n1)CC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC000895559747 630249486 /nfs/dbraw/zinc/24/94/86/630249486.db2.gz PSYRRXWEIXQGFE-UHFFFAOYSA-N 2 1 288.439 2.300 20 0 CEADMP Nc1cc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(Cl)c[nH+]1 ZINC000895565228 630257968 /nfs/dbraw/zinc/25/79/68/630257968.db2.gz PPNAWAIATHPABX-CMPLNLGQSA-N 2 1 298.843 2.309 20 0 CEADMP Nc1cc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)c(Cl)c[nH+]1 ZINC000895565228 630257972 /nfs/dbraw/zinc/25/79/72/630257972.db2.gz PPNAWAIATHPABX-CMPLNLGQSA-N 2 1 298.843 2.309 20 0 CEADMP C[NH+]1CCC(CN2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000895736873 630326361 /nfs/dbraw/zinc/32/63/61/630326361.db2.gz PGNPMPWNKAFTCQ-UHFFFAOYSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+](C)CC[C@H](Nc1[nH+]cnc2[nH]ccc21)c1cccnc1 ZINC000895890922 630390424 /nfs/dbraw/zinc/39/04/24/630390424.db2.gz FCFBCPARNHQOCH-AWEZNQCLSA-N 2 1 296.378 2.458 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000895972156 630424077 /nfs/dbraw/zinc/42/40/77/630424077.db2.gz RTQPRLWCCWWQJL-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000895972156 630424081 /nfs/dbraw/zinc/42/40/81/630424081.db2.gz RTQPRLWCCWWQJL-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000895972156 630424084 /nfs/dbraw/zinc/42/40/84/630424084.db2.gz RTQPRLWCCWWQJL-CABCVRRESA-N 2 1 295.471 2.096 20 0 CEADMP CO[C@](C)(C[NH2+][C@H](CCN(C)C)c1cccnc1)C1CC1 ZINC000896720310 630644399 /nfs/dbraw/zinc/64/43/99/630644399.db2.gz HUUQYIFESQFQEQ-IAGOWNOFSA-N 2 1 291.439 2.479 20 0 CEADMP CN(C)CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccnc1 ZINC000896717549 630648758 /nfs/dbraw/zinc/64/87/58/630648758.db2.gz SBHWSSGMSLSXTI-KRWDZBQOSA-N 2 1 290.455 2.006 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903977873 635395322 /nfs/dbraw/zinc/39/53/22/635395322.db2.gz CBDOUVCEWGQGOJ-TZMCWYRMSA-N 2 1 264.417 2.189 20 0 CEADMP CCO[C@@H](C[NH2+]C[C@@H](C)c1ccccc1)C[NH+](C)C ZINC000896880309 630699491 /nfs/dbraw/zinc/69/94/91/630699491.db2.gz UGSLLSGOGRFPAG-ZBFHGGJFSA-N 2 1 264.413 2.346 20 0 CEADMP CCO[C@@H](C[NH2+]CC(C)(C)Oc1ccccc1)C[NH+](C)C ZINC000896880763 630699740 /nfs/dbraw/zinc/69/97/40/630699740.db2.gz ZBAABCCNSXKJGZ-INIZCTEOSA-N 2 1 294.439 2.400 20 0 CEADMP C[N@@H+]1C[C@@H]2CN(c3cc[nH+]cc3Cl)C[C@]2(C)C1 ZINC000896913917 630798576 /nfs/dbraw/zinc/79/85/76/630798576.db2.gz YMMULGITDMSZFN-MFKMUULPSA-N 2 1 251.761 2.123 20 0 CEADMP C[N@H+]1C[C@@H]2CN(c3cc[nH+]cc3Cl)C[C@]2(C)C1 ZINC000896913917 630798581 /nfs/dbraw/zinc/79/85/81/630798581.db2.gz YMMULGITDMSZFN-MFKMUULPSA-N 2 1 251.761 2.123 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000798181961 630830640 /nfs/dbraw/zinc/83/06/40/630830640.db2.gz CVVUTHUDKGJIPH-GFCCVEGCSA-N 2 1 274.368 2.423 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904300231 635553913 /nfs/dbraw/zinc/55/39/13/635553913.db2.gz ZNDILHDRHJXEJC-CQSZACIVSA-N 2 1 260.381 2.053 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904300231 635553915 /nfs/dbraw/zinc/55/39/15/635553915.db2.gz ZNDILHDRHJXEJC-CQSZACIVSA-N 2 1 260.381 2.053 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)C1 ZINC000904316967 635564496 /nfs/dbraw/zinc/56/44/96/635564496.db2.gz SOUZJOYOUMRFRD-VNHYZAJKSA-N 2 1 288.391 2.332 20 0 CEADMP CC(C)[N@@H+](C)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000985485898 631103887 /nfs/dbraw/zinc/10/38/87/631103887.db2.gz WDAXXIHAAUMQBA-HNNXBMFYSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000985485898 631103908 /nfs/dbraw/zinc/10/39/08/631103908.db2.gz WDAXXIHAAUMQBA-HNNXBMFYSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+](C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000985485898 631103918 /nfs/dbraw/zinc/10/39/18/631103918.db2.gz WDAXXIHAAUMQBA-HNNXBMFYSA-N 2 1 295.471 2.192 20 0 CEADMP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000800969526 631155554 /nfs/dbraw/zinc/15/55/54/631155554.db2.gz JQEPCVNMAZNFPF-UGUYLWEFSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000800969526 631155555 /nfs/dbraw/zinc/15/55/55/631155555.db2.gz JQEPCVNMAZNFPF-UGUYLWEFSA-N 2 1 264.413 2.018 20 0 CEADMP COCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156220 631275340 /nfs/dbraw/zinc/27/53/40/631275340.db2.gz GJSCSRKXALBRQF-UKRRQHHQSA-N 2 1 254.418 2.252 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(=O)C(C)C)C1 ZINC000808732369 631306531 /nfs/dbraw/zinc/30/65/31/631306531.db2.gz FAIUJIJSFINGIM-HNNXBMFYSA-N 2 1 284.444 2.034 20 0 CEADMP C[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCS1 ZINC000252982720 631676429 /nfs/dbraw/zinc/67/64/29/631676429.db2.gz XRBCJEPWYNHJED-RLAWYHOSSA-N 2 1 254.443 2.344 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000785442094 631680241 /nfs/dbraw/zinc/68/02/41/631680241.db2.gz OVCUIXBVIYPTNC-ZDUSSCGKSA-N 2 1 265.376 2.349 20 0 CEADMP Cc1nc(F)ccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000785442094 631680244 /nfs/dbraw/zinc/68/02/44/631680244.db2.gz OVCUIXBVIYPTNC-ZDUSSCGKSA-N 2 1 265.376 2.349 20 0 CEADMP C[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000806539349 631751075 /nfs/dbraw/zinc/75/10/75/631751075.db2.gz AOAOPCUKZNDUON-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)CC1 ZINC000897959061 631991097 /nfs/dbraw/zinc/99/10/97/631991097.db2.gz PPFNBENLAWNQHG-QMCVQRASSA-N 2 1 278.440 2.408 20 0 CEADMP CCCCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C(C)(C)C ZINC000808693609 632001962 /nfs/dbraw/zinc/00/19/62/632001962.db2.gz JXCAHQXBCPOKRZ-UONOGXRCSA-N 2 1 258.450 2.494 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc([C@@H](C)O)s2)C1 ZINC000809616779 632111810 /nfs/dbraw/zinc/11/18/10/632111810.db2.gz YZQHQOZTLUDZCL-OLZOCXBDSA-N 2 1 297.468 2.406 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc([C@@H](C)O)s2)C1 ZINC000809616779 632111812 /nfs/dbraw/zinc/11/18/12/632111812.db2.gz YZQHQOZTLUDZCL-OLZOCXBDSA-N 2 1 297.468 2.406 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)cc1 ZINC000809752059 632141247 /nfs/dbraw/zinc/14/12/47/632141247.db2.gz ZTCRXFCENOSXBH-CYBMUJFWSA-N 2 1 290.329 2.103 20 0 CEADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)cc1 ZINC000809752059 632141251 /nfs/dbraw/zinc/14/12/51/632141251.db2.gz ZTCRXFCENOSXBH-CYBMUJFWSA-N 2 1 290.329 2.103 20 0 CEADMP C(C[N@H+]1CC[C@H]2CSC[C@H]2C1)C1CC[NH2+]CC1 ZINC000866703708 632341562 /nfs/dbraw/zinc/34/15/62/632341562.db2.gz KOCONRIQSZDLIB-UONOGXRCSA-N 2 1 254.443 2.061 20 0 CEADMP Cn1c(Cl)nc(Cl)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841058626 632361622 /nfs/dbraw/zinc/36/16/22/632361622.db2.gz UPADHPGUMAMCPP-HTQZYQBOSA-N 2 1 277.199 2.086 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C)C[NH+](C)C ZINC000926958039 632384528 /nfs/dbraw/zinc/38/45/28/632384528.db2.gz DNBSOKIIDRQYJH-BYNSBNAKSA-N 2 1 256.434 2.367 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C)C[NH+](C)C ZINC000926963204 632391114 /nfs/dbraw/zinc/39/11/14/632391114.db2.gz SZTWNRRTUCKIRW-BYNSBNAKSA-N 2 1 256.434 2.367 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H]1CCCC2(CC2)C1)C[NH+](C)C ZINC000926964025 632392701 /nfs/dbraw/zinc/39/27/01/632392701.db2.gz PENKIOHZLQVVFJ-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)[C@@H](C)C1 ZINC000926964123 632393122 /nfs/dbraw/zinc/39/31/22/632393122.db2.gz QHYCMYFPAXJXIS-RWMBFGLXSA-N 2 1 295.393 2.189 20 0 CEADMP Cc1nn2c(C[N@@H+](C)CCCCCC[NH3+])c(C)nc2s1 ZINC000873231824 632409620 /nfs/dbraw/zinc/40/96/20/632409620.db2.gz WVJWWOHLNIVNJW-UHFFFAOYSA-N 2 1 295.456 2.359 20 0 CEADMP COc1ccnc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000924697103 632430228 /nfs/dbraw/zinc/43/02/28/632430228.db2.gz JTBKCHVRAZOWBV-MELADBBJSA-N 2 1 275.396 2.368 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cnc1Cl ZINC000813784475 632734038 /nfs/dbraw/zinc/73/40/38/632734038.db2.gz FFIKYVJDSXJFCT-SNVBAGLBSA-N 2 1 255.793 2.331 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924752657 632741092 /nfs/dbraw/zinc/74/10/92/632741092.db2.gz OIYAMOSBCYIQLY-STQMWFEESA-N 2 1 263.385 2.170 20 0 CEADMP C[C@@H](CNC(=[NH2+])N[C@@H](C)C1CC1)[N@H+]1CCCC[C@H]1C ZINC000899266940 632761832 /nfs/dbraw/zinc/76/18/32/632761832.db2.gz ZNJKEHVVYBVEME-AGIUHOORSA-N 2 1 266.433 2.162 20 0 CEADMP C[C@H](CNC(=[NH2+])N[C@@H](C)C1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000899265997 632764242 /nfs/dbraw/zinc/76/42/42/632764242.db2.gz MQEHQVAOJNQEDQ-UPJWGTAASA-N 2 1 266.433 2.019 20 0 CEADMP Cc1nc(N[C@H]2CC[NH2+]C3(CCC3)C2)c(C)c(C)[nH+]1 ZINC000900020507 633184754 /nfs/dbraw/zinc/18/47/54/633184754.db2.gz CJWUPJJUUFMYDG-ZDUSSCGKSA-N 2 1 260.385 2.488 20 0 CEADMP C[C@H]([NH2+]C[C@H]1COc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000817891896 633754464 /nfs/dbraw/zinc/75/44/64/633754464.db2.gz PKNYLEXTXYHWPS-DZKIICNBSA-N 2 1 274.408 2.358 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000817905619 633766483 /nfs/dbraw/zinc/76/64/83/633766483.db2.gz QLMDQFSBKQVXIP-IKGGRYGDSA-N 2 1 270.376 2.343 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccco2)c2ccccc21 ZINC000817913862 633771975 /nfs/dbraw/zinc/77/19/75/633771975.db2.gz NRWPLUKVROVHGY-MCIONIFRSA-N 2 1 258.321 2.047 20 0 CEADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000817913434 633772305 /nfs/dbraw/zinc/77/23/05/633772305.db2.gz PFPRBIJEVGBCNS-NDBYEHHHSA-N 2 1 268.426 2.290 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@H+]1CCC[C@H]1C ZINC000817914394 633773797 /nfs/dbraw/zinc/77/37/97/633773797.db2.gz WALCVAHSNDWSDE-HLLBOEOZSA-N 2 1 275.440 2.019 20 0 CEADMP C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1c[nH+]ccc1N ZINC000817923551 633780504 /nfs/dbraw/zinc/78/05/04/633780504.db2.gz BJXAQNQMOILWJF-GUYCJALGSA-N 2 1 285.391 2.443 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)C2CC2)C1 ZINC000818960002 634017182 /nfs/dbraw/zinc/01/71/82/634017182.db2.gz CZMVOYSNHLSPNA-IJEWVQPXSA-N 2 1 268.445 2.105 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC1(O)CCCCC1 ZINC000818965490 634020139 /nfs/dbraw/zinc/02/01/39/634020139.db2.gz IMZVOGRCGZSPMI-CYBMUJFWSA-N 2 1 265.401 2.112 20 0 CEADMP Cc1ccccc1[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000818972331 634023193 /nfs/dbraw/zinc/02/31/93/634023193.db2.gz JXZDARNYWRFGDJ-PBHICJAKSA-N 2 1 274.408 2.102 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000818981436 634027783 /nfs/dbraw/zinc/02/77/83/634027783.db2.gz UEAXOCMRCKUELD-BLLLJJGKSA-N 2 1 298.377 2.320 20 0 CEADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000819152458 634086487 /nfs/dbraw/zinc/08/64/87/634086487.db2.gz UOYYJANBKLUOLF-NVXWUHKLSA-N 2 1 276.424 2.288 20 0 CEADMP C[C@]1(C[NH2+]C[C@H](O)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000819284009 634127764 /nfs/dbraw/zinc/12/77/64/634127764.db2.gz NYLLHBINDCQCBQ-ZWKOTPCHSA-N 2 1 288.435 2.259 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000819366082 634156580 /nfs/dbraw/zinc/15/65/80/634156580.db2.gz IHCBIBQOGJMGIN-NVXWUHKLSA-N 2 1 276.424 2.350 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000819366051 634157524 /nfs/dbraw/zinc/15/75/24/634157524.db2.gz HKMXPKMMGXXRIT-CZUORRHYSA-N 2 1 280.387 2.181 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902793840 634836875 /nfs/dbraw/zinc/83/68/75/634836875.db2.gz NFKUPDZGEPWZGB-BCDXTJNWSA-N 2 1 293.499 2.428 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822621371 634956559 /nfs/dbraw/zinc/95/65/59/634956559.db2.gz IUJONEKJWBFLCT-GHMZBOCLSA-N 2 1 265.228 2.454 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822621371 634956562 /nfs/dbraw/zinc/95/65/62/634956562.db2.gz IUJONEKJWBFLCT-GHMZBOCLSA-N 2 1 265.228 2.454 20 0 CEADMP CC[NH+](CC)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903091201 634965423 /nfs/dbraw/zinc/96/54/23/634965423.db2.gz PEFWELBVDIQQKB-ZBSSRIJBSA-N 2 1 279.472 2.464 20 0 CEADMP C[C@H]1CCC[N@@H+](CCNC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903069750 634965902 /nfs/dbraw/zinc/96/59/02/634965902.db2.gz ZHUIAWLCFZDNKP-UNPWZGGWSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@H]1CCC[NH+](CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903069750 634965904 /nfs/dbraw/zinc/96/59/04/634965904.db2.gz ZHUIAWLCFZDNKP-UNPWZGGWSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@H]1CCC[NH+](CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903069750 634965906 /nfs/dbraw/zinc/96/59/06/634965906.db2.gz ZHUIAWLCFZDNKP-UNPWZGGWSA-N 2 1 291.483 2.466 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903072514 634966757 /nfs/dbraw/zinc/96/67/57/634966757.db2.gz KFOPJTHVBVONEJ-CZUORRHYSA-N 2 1 259.397 2.464 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903072514 634966758 /nfs/dbraw/zinc/96/67/58/634966758.db2.gz KFOPJTHVBVONEJ-CZUORRHYSA-N 2 1 259.397 2.464 20 0 CEADMP CO[C@H]1CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000903099682 634968505 /nfs/dbraw/zinc/96/85/05/634968505.db2.gz LJIJQJMCPKZUHA-KGLIPLIRSA-N 2 1 251.374 2.129 20 0 CEADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C[N@H+]1C1CC1 ZINC000903109385 634973372 /nfs/dbraw/zinc/97/33/72/634973372.db2.gz FJUWPKGJYKCGFW-RZHLWBOVSA-N 2 1 289.467 2.359 20 0 CEADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[NH+]1C1CC1 ZINC000903109385 634973375 /nfs/dbraw/zinc/97/33/75/634973375.db2.gz FJUWPKGJYKCGFW-RZHLWBOVSA-N 2 1 289.467 2.359 20 0 CEADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[NH+]1C1CC1 ZINC000903109385 634973376 /nfs/dbraw/zinc/97/33/76/634973376.db2.gz FJUWPKGJYKCGFW-RZHLWBOVSA-N 2 1 289.467 2.359 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CN1C1CC1 ZINC000903109385 634973380 /nfs/dbraw/zinc/97/33/80/634973380.db2.gz FJUWPKGJYKCGFW-RZHLWBOVSA-N 2 1 289.467 2.359 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CN1C1CC1 ZINC000903109385 634973382 /nfs/dbraw/zinc/97/33/82/634973382.db2.gz FJUWPKGJYKCGFW-RZHLWBOVSA-N 2 1 289.467 2.359 20 0 CEADMP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCO1 ZINC000903111151 634974360 /nfs/dbraw/zinc/97/43/60/634974360.db2.gz UKBAAFUXAITCKG-WDVRLDOZSA-N 2 1 264.413 2.303 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@H](C)O1 ZINC000903210210 635016568 /nfs/dbraw/zinc/01/65/68/635016568.db2.gz VGFXBSZYDGFVCH-IKSJGYDPSA-N 2 1 264.413 2.300 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H](O)C(F)(F)F ZINC000903214034 635018495 /nfs/dbraw/zinc/01/84/95/635018495.db2.gz WGYWDARSEPSVDN-ZROVADHFSA-N 2 1 292.345 2.046 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H](O)C(F)(F)F ZINC000903214034 635018499 /nfs/dbraw/zinc/01/84/99/635018499.db2.gz WGYWDARSEPSVDN-ZROVADHFSA-N 2 1 292.345 2.046 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C3(O)CCC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000903257576 635031826 /nfs/dbraw/zinc/03/18/26/635031826.db2.gz HPQNIOKHFHMYJH-KKUMJFAQSA-N 2 1 278.440 2.144 20 0 CEADMP FCCn1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cn1 ZINC000903274651 635040973 /nfs/dbraw/zinc/04/09/73/635040973.db2.gz PVLIGMVTCADUCV-VHRNVKJDSA-N 2 1 292.402 2.100 20 0 CEADMP FCCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cn1 ZINC000903274651 635040975 /nfs/dbraw/zinc/04/09/75/635040975.db2.gz PVLIGMVTCADUCV-VHRNVKJDSA-N 2 1 292.402 2.100 20 0 CEADMP FCCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cn1 ZINC000903274651 635040979 /nfs/dbraw/zinc/04/09/79/635040979.db2.gz PVLIGMVTCADUCV-VHRNVKJDSA-N 2 1 292.402 2.100 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H](CO)CCc2ccccc2)CC1 ZINC000903289465 635052932 /nfs/dbraw/zinc/05/29/32/635052932.db2.gz KGBZXEZCVUTUML-KRWDZBQOSA-N 2 1 276.424 2.054 20 0 CEADMP C[C@@](O)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(F)c1 ZINC000903310257 635060831 /nfs/dbraw/zinc/06/08/31/635060831.db2.gz PFNXJPJGNRUENL-QGZVFWFLSA-N 2 1 292.398 2.250 20 0 CEADMP Cc1ncccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000903417649 635107510 /nfs/dbraw/zinc/10/75/10/635107510.db2.gz DRHQERGURSIZRE-ZACQAIPSSA-N 2 1 273.424 2.395 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1OC ZINC000903427051 635112949 /nfs/dbraw/zinc/11/29/49/635112949.db2.gz RNRMHENUTRGEQB-OCCSQVGLSA-N 2 1 278.396 2.263 20 0 CEADMP Cc1cccc(OCC[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903429838 635113430 /nfs/dbraw/zinc/11/34/30/635113430.db2.gz KBCHEHWUYSQHKM-CABCVRRESA-N 2 1 262.397 2.433 20 0 CEADMP CCCO[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903435181 635117026 /nfs/dbraw/zinc/11/70/26/635117026.db2.gz QGVQFRCWOHYNJR-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440413 635119787 /nfs/dbraw/zinc/11/97/87/635119787.db2.gz WYRJJEKVCOTQEY-HYVNUMGLSA-N 2 1 276.424 2.478 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@@H]1C[NH3+] ZINC000903458930 635125300 /nfs/dbraw/zinc/12/53/00/635125300.db2.gz NFTWGYGVDWZJHD-NAWOPXAZSA-N 2 1 258.356 2.194 20 0 CEADMP C[C@@H](c1ncccn1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000903463726 635126949 /nfs/dbraw/zinc/12/69/49/635126949.db2.gz KHMVYONARYLWFG-ZFWWWQNUSA-N 2 1 274.412 2.249 20 0 CEADMP c1cc(CC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)sn1 ZINC000903453571 635137157 /nfs/dbraw/zinc/13/71/57/635137157.db2.gz CESRGJFYDVITRF-OCCSQVGLSA-N 2 1 265.426 2.150 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCc2ccns2)C1 ZINC000903475931 635144761 /nfs/dbraw/zinc/14/47/61/635144761.db2.gz IBIVKSGYZJZCBN-CQSZACIVSA-N 2 1 267.442 2.383 20 0 CEADMP CCO[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000903481556 635148707 /nfs/dbraw/zinc/14/87/07/635148707.db2.gz FZWZVXFIBSYJTL-UONOGXRCSA-N 2 1 252.402 2.066 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@H]1C[C@H]2CCC[C@H]2O1 ZINC000903481869 635149631 /nfs/dbraw/zinc/14/96/31/635149631.db2.gz ORDIJYDAKSMQID-TUVASFSCSA-N 2 1 264.413 2.208 20 0 CEADMP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@H]1CC[C@@H](C2CC2)O1 ZINC000903482033 635149949 /nfs/dbraw/zinc/14/99/49/635149949.db2.gz VAEOEFRXYIRXTL-ILXRZTDVSA-N 2 1 264.413 2.208 20 0 CEADMP c1ccc([C@]23C[C@H]2C[N@H+](C[C@H]2CCC[NH2+]C2)C3)cc1 ZINC000903490835 635156287 /nfs/dbraw/zinc/15/62/87/635156287.db2.gz JTNLOCXPYAJAEY-BHYGNILZSA-N 2 1 256.393 2.260 20 0 CEADMP CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903513169 635158905 /nfs/dbraw/zinc/15/89/05/635158905.db2.gz VRLLAURAVAODGY-IYBDPMFKSA-N 2 1 265.445 2.077 20 0 CEADMP CCCCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903513169 635158907 /nfs/dbraw/zinc/15/89/07/635158907.db2.gz VRLLAURAVAODGY-IYBDPMFKSA-N 2 1 265.445 2.077 20 0 CEADMP CCCCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903513169 635158912 /nfs/dbraw/zinc/15/89/12/635158912.db2.gz VRLLAURAVAODGY-IYBDPMFKSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000903566604 635164725 /nfs/dbraw/zinc/16/47/25/635164725.db2.gz WFQPGUCGSPFQPW-FUHWJXTLSA-N 2 1 287.451 2.160 20 0 CEADMP c1csc(C[C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903565186 635164903 /nfs/dbraw/zinc/16/49/03/635164903.db2.gz FNCZEDPDIZAERS-ZIAGYGMSSA-N 2 1 279.453 2.397 20 0 CEADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000903566068 635164943 /nfs/dbraw/zinc/16/49/43/635164943.db2.gz YXMVABZLTXQIBA-STQMWFEESA-N 2 1 291.464 2.421 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903716976 635231011 /nfs/dbraw/zinc/23/10/11/635231011.db2.gz FPOOPHCZVOGVHT-LJISPDSOSA-N 2 1 252.402 2.018 20 0 CEADMP CCc1ccc(C[N@@H+](C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903717469 635232292 /nfs/dbraw/zinc/23/22/92/635232292.db2.gz ATRDEZQBWWQQOB-ZWKOTPCHSA-N 2 1 288.435 2.449 20 0 CEADMP COc1ccc(OCC[N@@H+](C)C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000903719435 635233326 /nfs/dbraw/zinc/23/33/26/635233326.db2.gz ZPMRMWFNYUPHBB-OAHLLOKOSA-N 2 1 292.423 2.396 20 0 CEADMP FC(F)(F)CO[C@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903722886 635236079 /nfs/dbraw/zinc/23/60/79/635236079.db2.gz QJDJBCXUMCJPJY-OLZOCXBDSA-N 2 1 294.361 2.419 20 0 CEADMP FC(F)(F)CO[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903722886 635236085 /nfs/dbraw/zinc/23/60/85/635236085.db2.gz QJDJBCXUMCJPJY-OLZOCXBDSA-N 2 1 294.361 2.419 20 0 CEADMP CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722508 635236293 /nfs/dbraw/zinc/23/62/93/635236293.db2.gz LXYVJVLWPQQZIG-KGLIPLIRSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@@H+](CCCc1ccccc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723936 635236963 /nfs/dbraw/zinc/23/69/63/635236963.db2.gz JOHWQICQCOBQGU-ROUUACIJSA-N 2 1 288.435 2.320 20 0 CEADMP C[N@@H+](CCc1ccccc1F)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723879 635237145 /nfs/dbraw/zinc/23/71/45/635237145.db2.gz YXCYSKYSOUGLKR-RDJZCZTQSA-N 2 1 292.398 2.069 20 0 CEADMP CC(C)[C@@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903723555 635237663 /nfs/dbraw/zinc/23/76/63/635237663.db2.gz ILQUHDRHXMVREM-CABCVRRESA-N 2 1 266.429 2.266 20 0 CEADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903725589 635238741 /nfs/dbraw/zinc/23/87/41/635238741.db2.gz DEANOLZQOQFXBP-HZPDHXFCSA-N 2 1 295.471 2.004 20 0 CEADMP CCOC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903729249 635241189 /nfs/dbraw/zinc/24/11/89/635241189.db2.gz LJKNAYLBEIBFQI-HUUCEWRRSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC[C@H]1[NH3+] ZINC000903715953 635245282 /nfs/dbraw/zinc/24/52/82/635245282.db2.gz CPZXBCQMMNVYFN-KXNHARMFSA-N 2 1 280.334 2.156 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC[C@H]1[NH3+] ZINC000903715953 635245284 /nfs/dbraw/zinc/24/52/84/635245284.db2.gz CPZXBCQMMNVYFN-KXNHARMFSA-N 2 1 280.334 2.156 20 0 CEADMP CC1([NH3+])CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000903745807 635245601 /nfs/dbraw/zinc/24/56/01/635245601.db2.gz RLAPUCHLRRKCMQ-MNOVXSKESA-N 2 1 280.334 2.300 20 0 CEADMP Fc1ccc(OCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000903747057 635246538 /nfs/dbraw/zinc/24/65/38/635246538.db2.gz OUJXVMRBTQRODC-PHIMTYICSA-N 2 1 284.762 2.009 20 0 CEADMP Fc1ccc(OCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000903747057 635246541 /nfs/dbraw/zinc/24/65/41/635246541.db2.gz OUJXVMRBTQRODC-PHIMTYICSA-N 2 1 284.762 2.009 20 0 CEADMP COc1cccc2c1CC[N@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903752465 635248845 /nfs/dbraw/zinc/24/88/45/635248845.db2.gz OBYDEYVCNFXEAJ-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP COc1cccc2c1CC[N@@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903752465 635248848 /nfs/dbraw/zinc/24/88/48/635248848.db2.gz OBYDEYVCNFXEAJ-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903734683 635251302 /nfs/dbraw/zinc/25/13/02/635251302.db2.gz UWLFCLNCSDULQQ-QKPAOTATSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CCOC1CCSCC1)CC[NH2+]CC2 ZINC000903762599 635256962 /nfs/dbraw/zinc/25/69/62/635256962.db2.gz BAFNTORTMDVZMC-CQSZACIVSA-N 2 1 298.496 2.363 20 0 CEADMP C[C@H]1CCC(C)(C)[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903781974 635266646 /nfs/dbraw/zinc/26/66/46/635266646.db2.gz CIBWXFQSFRZVOA-UONOGXRCSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C(C)(C)C ZINC000903781310 635266695 /nfs/dbraw/zinc/26/66/95/635266695.db2.gz PRTYSGKSISCKOS-IIAWOOMASA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782529 635266843 /nfs/dbraw/zinc/26/68/43/635266843.db2.gz OIQCCOVRLPAVRD-NFAWXSAZSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCOC2CCSCC2)[C@H]1C ZINC000903781788 635267127 /nfs/dbraw/zinc/26/71/27/635267127.db2.gz AJJDASKPVPZLKA-RDBSUJKOSA-N 2 1 286.485 2.346 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCOC2CCSCC2)[C@H]1C ZINC000903781788 635267129 /nfs/dbraw/zinc/26/71/29/635267129.db2.gz AJJDASKPVPZLKA-RDBSUJKOSA-N 2 1 286.485 2.346 20 0 CEADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C[C@H]1CCCC[NH2+]C1 ZINC000903788410 635270796 /nfs/dbraw/zinc/27/07/96/635270796.db2.gz KJBJXRAIEJPRLG-HOTGVXAUSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)C[C@H]1CN(C)CC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903788410 635270798 /nfs/dbraw/zinc/27/07/98/635270798.db2.gz KJBJXRAIEJPRLG-HOTGVXAUSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)C[C@H]1CN(C)CC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903788410 635270800 /nfs/dbraw/zinc/27/08/00/635270800.db2.gz KJBJXRAIEJPRLG-HOTGVXAUSA-N 2 1 267.461 2.038 20 0 CEADMP Cc1ccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903816149 635271924 /nfs/dbraw/zinc/27/19/24/635271924.db2.gz RWVQFLCLLPVVAN-UHFFFAOYSA-N 2 1 274.408 2.340 20 0 CEADMP CCCCNC(=O)CC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903815065 635272111 /nfs/dbraw/zinc/27/21/11/635272111.db2.gz POTPKJIMTJGDTB-HNNXBMFYSA-N 2 1 295.471 2.276 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000903801273 635278362 /nfs/dbraw/zinc/27/83/62/635278362.db2.gz LXVCJTRXWABFIQ-OLMNGRFOSA-N 2 1 264.413 2.147 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000903801273 635278365 /nfs/dbraw/zinc/27/83/65/635278365.db2.gz LXVCJTRXWABFIQ-OLMNGRFOSA-N 2 1 264.413 2.147 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@@H+]2CC(=O)NC2CCCC2)CCC1 ZINC000903813034 635286963 /nfs/dbraw/zinc/28/69/63/635286963.db2.gz CGUSIBWIFVUMNW-OAHLLOKOSA-N 2 1 293.455 2.029 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CC(=O)NC2CCCC2)CCC1 ZINC000903813034 635286969 /nfs/dbraw/zinc/28/69/69/635286969.db2.gz CGUSIBWIFVUMNW-OAHLLOKOSA-N 2 1 293.455 2.029 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC000903823934 635292655 /nfs/dbraw/zinc/29/26/55/635292655.db2.gz LNKJNFROHDZXCL-SJLPKXTDSA-N 2 1 290.451 2.473 20 0 CEADMP C[C@]12C[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903827182 635294794 /nfs/dbraw/zinc/29/47/94/635294794.db2.gz PVPWJMWIOUCHLJ-YPLQCARHSA-N 2 1 290.451 2.123 20 0 CEADMP FCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903832910 635296926 /nfs/dbraw/zinc/29/69/26/635296926.db2.gz STNGZWNCXABHMD-DKUMPPAJSA-N 2 1 282.403 2.110 20 0 CEADMP FC1(F)CC[C@@H](C[N@H+]2CC[NH2+]CCC23CCOCC3)C1 ZINC000903818215 635299752 /nfs/dbraw/zinc/29/97/52/635299752.db2.gz BNKRAEUEHOYRIR-CYBMUJFWSA-N 2 1 288.382 2.266 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(F)c1F)C2 ZINC000903845872 635303235 /nfs/dbraw/zinc/30/32/35/635303235.db2.gz AZIJWRRLVGPGEK-WCQGTBRESA-N 2 1 252.308 2.276 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(F)c1F)C2 ZINC000903845872 635303239 /nfs/dbraw/zinc/30/32/39/635303239.db2.gz AZIJWRRLVGPGEK-WCQGTBRESA-N 2 1 252.308 2.276 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC000903850915 635304179 /nfs/dbraw/zinc/30/41/79/635304179.db2.gz ZTUWTXTWIJNYOZ-INIZCTEOSA-N 2 1 284.444 2.023 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H]2C2CCC2)cnn1C ZINC000903888874 635316301 /nfs/dbraw/zinc/31/63/01/635316301.db2.gz MAHBXVBKYIIKPW-PBHICJAKSA-N 2 1 290.455 2.110 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+]([C@H](C)C(C)C)C2CC2)cnn1C ZINC000903873592 635321478 /nfs/dbraw/zinc/32/14/78/635321478.db2.gz UKETZEIWNLQYCX-UKRRQHHQSA-N 2 1 292.471 2.355 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)Cc2cccs2)cnn1C ZINC000903873572 635321554 /nfs/dbraw/zinc/32/15/54/635321554.db2.gz SRKYNTOEQUYWND-ZDUSSCGKSA-N 2 1 292.452 2.039 20 0 CEADMP C[N@H+](Cc1nccn1C(F)F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903884301 635325780 /nfs/dbraw/zinc/32/57/80/635325780.db2.gz WWDKBUKVEXPNIG-YOGCLGLASA-N 2 1 284.354 2.241 20 0 CEADMP CC(C)C[C@@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903893311 635329192 /nfs/dbraw/zinc/32/91/92/635329192.db2.gz UXHWHXHETJJJRQ-LSDHHAIUSA-N 2 1 291.443 2.071 20 0 CEADMP c1ccc([C@H]2CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)nc1 ZINC000903905535 635340122 /nfs/dbraw/zinc/34/01/22/635340122.db2.gz ILAQAUKCVVFJTC-PNRVRQOCSA-N 2 1 271.408 2.402 20 0 CEADMP CCC[C@H]1CCCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903908485 635343440 /nfs/dbraw/zinc/34/34/40/635343440.db2.gz JWNJNPYZYOEMTQ-GJZGRUSLSA-N 2 1 291.443 2.357 20 0 CEADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903908450 635343700 /nfs/dbraw/zinc/34/37/00/635343700.db2.gz JDHSPCWUUMDURH-UHFFFAOYSA-N 3 1 299.462 2.393 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)C2(C)CCCC2)cnn1C ZINC000903915301 635344868 /nfs/dbraw/zinc/34/48/68/635344868.db2.gz ADUFHQNMTRLEAZ-AWEZNQCLSA-N 2 1 278.444 2.110 20 0 CEADMP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)[C@H](C)O1 ZINC000903912723 635346559 /nfs/dbraw/zinc/34/65/59/635346559.db2.gz IFCJIKBDXYWVQU-WVCDBTDCSA-N 2 1 252.402 2.015 20 0 CEADMP Cc1ccccc1OCCC[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903922603 635350306 /nfs/dbraw/zinc/35/03/06/635350306.db2.gz AMIDKKTXHCHCCM-GFCCVEGCSA-N 2 1 272.339 2.336 20 0 CEADMP CC[N@@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C1CC(C)(C)C1 ZINC000903929673 635356731 /nfs/dbraw/zinc/35/67/31/635356731.db2.gz JBKWPRIQDJZLTO-AWEZNQCLSA-N 2 1 292.471 2.356 20 0 CEADMP C[C@H]1CC2(C[N@H+]1CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CCOCC2 ZINC000903931181 635356961 /nfs/dbraw/zinc/35/69/61/635356961.db2.gz AJHYBHUZLWLMBI-HNSVSWJLSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H]1CCC(C)(C)C1 ZINC000903915816 635363297 /nfs/dbraw/zinc/36/32/97/635363297.db2.gz CAVVBXYWXRDSEV-KGLIPLIRSA-N 2 1 291.443 2.213 20 0 CEADMP COC1(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)CCCC1 ZINC000903959449 635369502 /nfs/dbraw/zinc/36/95/02/635369502.db2.gz IGHRXSXNTOHPOO-OAHLLOKOSA-N 2 1 266.429 2.411 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)ccc1F ZINC000903955161 635389199 /nfs/dbraw/zinc/38/91/99/635389199.db2.gz LQASDZKQWLXDOX-LBPRGKRZSA-N 2 1 272.314 2.469 20 0 CEADMP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000903986664 635405643 /nfs/dbraw/zinc/40/56/43/635405643.db2.gz OYBJVZQJBGTMDM-PCKAHOCUSA-N 3 1 265.445 2.125 20 0 CEADMP CC(C)CO[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904327242 635573406 /nfs/dbraw/zinc/57/34/06/635573406.db2.gz AGLRYEWMQHMPKY-CABCVRRESA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)CN1Cc1ccccc1 ZINC000904341833 635580071 /nfs/dbraw/zinc/58/00/71/635580071.db2.gz WYVJGLJVBFEFEQ-AHCXZYCDSA-N 2 1 287.451 2.319 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000904405292 635612335 /nfs/dbraw/zinc/61/23/35/635612335.db2.gz KEWVEBNELNDOCQ-LBPRGKRZSA-N 2 1 274.368 2.149 20 0 CEADMP CC(C)c1ncc(C[N@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000904406349 635613559 /nfs/dbraw/zinc/61/35/59/635613559.db2.gz QMRZFWLJUKAPDQ-NSHDSACASA-N 2 1 253.415 2.437 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000904406041 635613991 /nfs/dbraw/zinc/61/39/91/635613991.db2.gz OFIUCEYNYOTKDF-NSHDSACASA-N 2 1 290.436 2.444 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)ccc1C ZINC000904410259 635617266 /nfs/dbraw/zinc/61/72/66/635617266.db2.gz NIQALCFOEGLSNX-ZFWWWQNUSA-N 2 1 262.397 2.420 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccnn2-c2ccccc2)CC[C@@H]1C[NH3+] ZINC000904410981 635619322 /nfs/dbraw/zinc/61/93/22/635619322.db2.gz RZZCQBQSVPGNHJ-LSDHHAIUSA-N 2 1 284.407 2.289 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(C)n1 ZINC000904412528 635620262 /nfs/dbraw/zinc/62/02/62/635620262.db2.gz VSPAEFQOYJBKIV-GXTWGEPZSA-N 2 1 277.412 2.124 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420652 635631133 /nfs/dbraw/zinc/63/11/33/635631133.db2.gz SSJITYUOWCIVCU-JKSUJKDBSA-N 2 1 296.418 2.222 20 0 CEADMP Cc1ccccc1-n1nccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420652 635631138 /nfs/dbraw/zinc/63/11/38/635631138.db2.gz SSJITYUOWCIVCU-JKSUJKDBSA-N 2 1 296.418 2.222 20 0 CEADMP [NH3+]Cc1ccccc1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000904652305 635697971 /nfs/dbraw/zinc/69/79/71/635697971.db2.gz PJZPXANEOJYNLH-UHFFFAOYSA-N 2 1 299.378 2.280 20 0 CEADMP CCc1nc(N2CCCC[C@]3(CC[NH2+]C3)C2)cc(C)[nH+]1 ZINC000905679458 636391126 /nfs/dbraw/zinc/39/11/26/636391126.db2.gz KUACWNVGERPWPW-MRXNPFEDSA-N 2 1 274.412 2.317 20 0 CEADMP CC[C@](O)(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C(F)(F)F ZINC000905939692 636535156 /nfs/dbraw/zinc/53/51/56/636535156.db2.gz GVXNRJHEYJBZEE-AVGNSLFASA-N 2 1 294.361 2.106 20 0 CEADMP CC[C@](O)(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C(F)(F)F ZINC000905939692 636535162 /nfs/dbraw/zinc/53/51/62/636535162.db2.gz GVXNRJHEYJBZEE-AVGNSLFASA-N 2 1 294.361 2.106 20 0 CEADMP CC[C@](O)(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C(F)(F)F ZINC000905939692 636535164 /nfs/dbraw/zinc/53/51/64/636535164.db2.gz GVXNRJHEYJBZEE-AVGNSLFASA-N 2 1 294.361 2.106 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000906517282 636764054 /nfs/dbraw/zinc/76/40/54/636764054.db2.gz LNTFBYWODSCDGJ-MGCOHNPYSA-N 2 1 292.276 2.346 20 0 CEADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906517728 636765241 /nfs/dbraw/zinc/76/52/41/636765241.db2.gz OAPJDYWKRWKRBQ-WKILWMFISA-N 2 1 283.375 2.337 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000906848222 636868509 /nfs/dbraw/zinc/86/85/09/636868509.db2.gz WAKOHWVYMWTULI-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2ccnc(N(C)C)c2)C1 ZINC000906904392 636885657 /nfs/dbraw/zinc/88/56/57/636885657.db2.gz XJXCJDDHYAOOHJ-ZDUSSCGKSA-N 2 1 290.411 2.208 20 0 CEADMP CCC[N@@H+]1CCC[C@H](C(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000906904392 636885661 /nfs/dbraw/zinc/88/56/61/636885661.db2.gz XJXCJDDHYAOOHJ-ZDUSSCGKSA-N 2 1 290.411 2.208 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000906904392 636885664 /nfs/dbraw/zinc/88/56/64/636885664.db2.gz XJXCJDDHYAOOHJ-ZDUSSCGKSA-N 2 1 290.411 2.208 20 0 CEADMP O[C@H](CN1CCCC1)C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000830987459 637210580 /nfs/dbraw/zinc/21/05/80/637210580.db2.gz DRBUTPUPMYKUHV-CVEARBPZSA-N 2 1 266.429 2.098 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000830987459 637210586 /nfs/dbraw/zinc/21/05/86/637210586.db2.gz DRBUTPUPMYKUHV-CVEARBPZSA-N 2 1 266.429 2.098 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000830987459 637210589 /nfs/dbraw/zinc/21/05/89/637210589.db2.gz DRBUTPUPMYKUHV-CVEARBPZSA-N 2 1 266.429 2.098 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000834646567 637901881 /nfs/dbraw/zinc/90/18/81/637901881.db2.gz GNRYWQHHUICWNA-HUUCEWRRSA-N 2 1 283.460 2.084 20 0 CEADMP CC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000910281253 637975453 /nfs/dbraw/zinc/97/54/53/637975453.db2.gz IGHZXFDSTQWCOT-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)[C@H]1CC[NH+](C)C1 ZINC000911511865 638308905 /nfs/dbraw/zinc/30/89/05/638308905.db2.gz LVNPPQLJJVLANU-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)[C@H]1CC[NH+](C)C1 ZINC000911511865 638308910 /nfs/dbraw/zinc/30/89/10/638308910.db2.gz LVNPPQLJJVLANU-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876725854 650411386 /nfs/dbraw/zinc/41/13/86/650411386.db2.gz ZOEJURRFPWTTDS-KFWWJZLASA-N 2 1 295.471 2.131 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000912296665 638634858 /nfs/dbraw/zinc/63/48/58/638634858.db2.gz MTJRVLIQLFQJNB-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000912296665 638634861 /nfs/dbraw/zinc/63/48/61/638634861.db2.gz MTJRVLIQLFQJNB-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000912296665 638634863 /nfs/dbraw/zinc/63/48/63/638634863.db2.gz MTJRVLIQLFQJNB-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)C[N@@H+](C)C1CCC1 ZINC000912649471 638753622 /nfs/dbraw/zinc/75/36/22/638753622.db2.gz VBPMYTIMKZKWMP-HOCLYGCPSA-N 2 1 295.471 2.192 20 0 CEADMP ClC1(Cl)C[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000876934217 650492190 /nfs/dbraw/zinc/49/21/90/650492190.db2.gz DFPQLDWLNDYWEJ-GMTAPVOTSA-N 2 1 263.212 2.397 20 0 CEADMP ClC1(Cl)C[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000876934217 650492197 /nfs/dbraw/zinc/49/21/97/650492197.db2.gz DFPQLDWLNDYWEJ-GMTAPVOTSA-N 2 1 263.212 2.397 20 0 CEADMP Cc1ccc(OCC[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000226435215 639544201 /nfs/dbraw/zinc/54/42/01/639544201.db2.gz YOZYBGGQOAEBMG-OAHLLOKOSA-N 2 1 262.397 2.305 20 0 CEADMP Cc1ccc(NC(=O)C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000104085627 639608219 /nfs/dbraw/zinc/60/82/19/639608219.db2.gz ZORPAXLUHWRHBL-UHFFFAOYSA-N 2 1 289.423 2.207 20 0 CEADMP OCCCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000228333923 639630445 /nfs/dbraw/zinc/63/04/45/639630445.db2.gz JSTLAWWHUJXKPP-GJZGRUSLSA-N 2 1 254.418 2.003 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1sccc1Br ZINC000087575948 639680428 /nfs/dbraw/zinc/68/04/28/639680428.db2.gz BQDBORAXACROFI-BDAKNGLRSA-N 2 1 289.242 2.456 20 0 CEADMP [NH3+]CCCCCCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061948012 639730535 /nfs/dbraw/zinc/73/05/35/639730535.db2.gz ISWGZHPFZMBOFV-UHFFFAOYSA-N 2 1 281.366 2.076 20 0 CEADMP C[N@@H+](CCCC[NH2+]CC1(O)CCCCC1)C1CC1 ZINC000842160051 639969691 /nfs/dbraw/zinc/96/96/91/639969691.db2.gz FXNXFUJUENHHOS-UHFFFAOYSA-N 2 1 254.418 2.146 20 0 CEADMP CCOC(=O)N[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000842476103 640075319 /nfs/dbraw/zinc/07/53/19/640075319.db2.gz GTAVUQSLUWLYFK-AWEZNQCLSA-N 2 1 285.432 2.106 20 0 CEADMP CCCCC[C@@H](C)NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000842476738 640076935 /nfs/dbraw/zinc/07/69/35/640076935.db2.gz UIVOUPSEAPUSTM-KGLIPLIRSA-N 2 1 283.460 2.049 20 0 CEADMP C[N@H+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CCC1(C)C ZINC000913722965 640080505 /nfs/dbraw/zinc/08/05/05/640080505.db2.gz WSNFZIDBFBOTBB-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000843358613 640402551 /nfs/dbraw/zinc/40/25/51/640402551.db2.gz UNHICYZKTFRSDU-AWEZNQCLSA-N 2 1 270.323 2.077 20 0 CEADMP O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000843358285 640402732 /nfs/dbraw/zinc/40/27/32/640402732.db2.gz LQRQHWTZIFLLMP-USXIJHARSA-N 2 1 274.408 2.184 20 0 CEADMP C[NH2+]CCC[N@@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000843359141 640403632 /nfs/dbraw/zinc/40/36/32/640403632.db2.gz XQDBEVFVQMLYKY-MRXNPFEDSA-N 2 1 282.403 2.427 20 0 CEADMP OCCCCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843387612 640413477 /nfs/dbraw/zinc/41/34/77/640413477.db2.gz VKVZABMYFVXGMC-JKSUJKDBSA-N 2 1 268.445 2.251 20 0 CEADMP Clc1cc2c(nn1)C[N@H+](CCCC1CC[NH2+]CC1)CC2 ZINC000843392530 640415123 /nfs/dbraw/zinc/41/51/23/640415123.db2.gz VCAISVYZPSEWQZ-UHFFFAOYSA-N 2 1 294.830 2.268 20 0 CEADMP Clc1cc2c(nn1)C[N@@H+](CCCC1CC[NH2+]CC1)CC2 ZINC000843392530 640415125 /nfs/dbraw/zinc/41/51/25/640415125.db2.gz VCAISVYZPSEWQZ-UHFFFAOYSA-N 2 1 294.830 2.268 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000843797597 640528031 /nfs/dbraw/zinc/52/80/31/640528031.db2.gz HODFYFGAVSVXKB-ZIAGYGMSSA-N 2 1 294.443 2.099 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877136831 650589911 /nfs/dbraw/zinc/58/99/11/650589911.db2.gz NFZRWBXOTBXKRI-SHUKQUCYSA-N 2 1 287.407 2.313 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCCCCO)CC[C@H]21 ZINC000766120662 640629777 /nfs/dbraw/zinc/62/97/77/640629777.db2.gz AGEANWBADSTVBN-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCCCCO)CC[C@H]21 ZINC000766120662 640629780 /nfs/dbraw/zinc/62/97/80/640629780.db2.gz AGEANWBADSTVBN-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCCCCO)CC[C@H]21 ZINC000766120662 640629784 /nfs/dbraw/zinc/62/97/84/640629784.db2.gz AGEANWBADSTVBN-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000844203018 640631245 /nfs/dbraw/zinc/63/12/45/640631245.db2.gz YRDYKMBTCUNANF-JYJNAYRXSA-N 2 1 297.487 2.330 20 0 CEADMP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994408788 640830605 /nfs/dbraw/zinc/83/06/05/640830605.db2.gz PEOBZRCPXOVNGX-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994408788 640830609 /nfs/dbraw/zinc/83/06/09/640830609.db2.gz PEOBZRCPXOVNGX-HOTGVXAUSA-N 2 1 293.455 2.018 20 0 CEADMP CCc1ccc2c(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc(=O)oc2c1 ZINC000917198883 640863668 /nfs/dbraw/zinc/86/36/68/640863668.db2.gz NWVGPMWGWXPYCJ-GJZGRUSLSA-N 2 1 298.386 2.007 20 0 CEADMP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ncco1 ZINC000925438009 640879369 /nfs/dbraw/zinc/87/93/69/640879369.db2.gz TZAPHFQJNCKUFE-MCIONIFRSA-N 2 1 281.400 2.215 20 0 CEADMP COc1ccc(CCC[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000925479364 641136957 /nfs/dbraw/zinc/13/69/57/641136957.db2.gz GOSVBLACPJROAZ-HIFRSBDPSA-N 2 1 292.423 2.367 20 0 CEADMP Fc1cccc(F)c1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925480438 641159974 /nfs/dbraw/zinc/15/99/74/641159974.db2.gz MDNJAMJQLJJDRK-DYZFCQSDSA-N 2 1 278.346 2.093 20 0 CEADMP C[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C[NH+]1CCCC1 ZINC000925481438 641179600 /nfs/dbraw/zinc/17/96/00/641179600.db2.gz PUZACUXEYRJAJE-FZKCQIBNSA-N 3 1 279.472 2.085 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877259099 650645635 /nfs/dbraw/zinc/64/56/35/650645635.db2.gz YLJKCSUYEVUIJC-WMLDXEAASA-N 2 1 295.471 2.084 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000846219714 641220267 /nfs/dbraw/zinc/22/02/67/641220267.db2.gz WMINMUSEBKOCFJ-OAHLLOKOSA-N 2 1 254.418 2.398 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000846218335 641227665 /nfs/dbraw/zinc/22/76/65/641227665.db2.gz MCFBICUTBYMESH-MRXNPFEDSA-N 2 1 289.423 2.069 20 0 CEADMP COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCCCCC[NH3+] ZINC000846221249 641230418 /nfs/dbraw/zinc/23/04/18/641230418.db2.gz VFPLZKQCEXLQAV-MRXNPFEDSA-N 2 1 290.407 2.278 20 0 CEADMP COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCCCCC[NH3+] ZINC000846221249 641230424 /nfs/dbraw/zinc/23/04/24/641230424.db2.gz VFPLZKQCEXLQAV-MRXNPFEDSA-N 2 1 290.407 2.278 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](CCc1ccccc1)C1CC1 ZINC000846782476 641423025 /nfs/dbraw/zinc/42/30/25/641423025.db2.gz PZEMRSLOXFYSML-KRWDZBQOSA-N 2 1 276.424 2.006 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](CCc1ccccc1)C1CC1 ZINC000846782476 641423028 /nfs/dbraw/zinc/42/30/28/641423028.db2.gz PZEMRSLOXFYSML-KRWDZBQOSA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CCc1ccccc1)C1CC1 ZINC000846782476 641423032 /nfs/dbraw/zinc/42/30/32/641423032.db2.gz PZEMRSLOXFYSML-KRWDZBQOSA-N 2 1 276.424 2.006 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CCc1ccccc1)C1CC1 ZINC000846782476 641423037 /nfs/dbraw/zinc/42/30/37/641423037.db2.gz PZEMRSLOXFYSML-KRWDZBQOSA-N 2 1 276.424 2.006 20 0 CEADMP CC[N@H+](C)[C@H](C(=O)NNc1cc[nH+]cc1)c1ccccc1 ZINC000180537922 641465737 /nfs/dbraw/zinc/46/57/37/641465737.db2.gz VKOLRHPWOJYCQR-HNNXBMFYSA-N 2 1 284.363 2.218 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)NNc1cc[nH+]cc1)c1ccccc1 ZINC000180537922 641465741 /nfs/dbraw/zinc/46/57/41/641465741.db2.gz VKOLRHPWOJYCQR-HNNXBMFYSA-N 2 1 284.363 2.218 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000847005772 641518572 /nfs/dbraw/zinc/51/85/72/641518572.db2.gz ZGOKJWQKGNGFAA-QGZVFWFLSA-N 2 1 287.407 2.192 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000847005772 641518575 /nfs/dbraw/zinc/51/85/75/641518575.db2.gz ZGOKJWQKGNGFAA-QGZVFWFLSA-N 2 1 287.407 2.192 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc2ccccc2c1 ZINC000261558709 641522434 /nfs/dbraw/zinc/52/24/34/641522434.db2.gz HYNVQGRPMLOWHQ-OLZOCXBDSA-N 2 1 255.365 2.404 20 0 CEADMP CSC(C)(C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848531297 642038079 /nfs/dbraw/zinc/03/80/79/642038079.db2.gz NVSUMLYRZSZVKP-CQSZACIVSA-N 2 1 286.485 2.361 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC1(F)F ZINC000848553000 642050076 /nfs/dbraw/zinc/05/00/76/642050076.db2.gz HFGNLKXEWZVYDL-YUTCNCBUSA-N 2 1 288.382 2.263 20 0 CEADMP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1(C)C ZINC000995872323 642079926 /nfs/dbraw/zinc/07/99/26/642079926.db2.gz NJZSLIBWIRYRKV-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(F)cnc2Cl)C1 ZINC000848719716 642112285 /nfs/dbraw/zinc/11/22/85/642112285.db2.gz DKASXDIHPNOXGN-MNOVXSKESA-N 2 1 257.740 2.234 20 0 CEADMP Cn1c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cnc1Cl ZINC000848912973 642187275 /nfs/dbraw/zinc/18/72/75/642187275.db2.gz YOYATNUYMPJNPV-CYBMUJFWSA-N 2 1 296.846 2.237 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000848998779 642217370 /nfs/dbraw/zinc/21/73/70/642217370.db2.gz VASTYRMCPSWJTH-CYBMUJFWSA-N 2 1 266.433 2.163 20 0 CEADMP Cc1[nH+]ccn1CCNC(=[NH2+])Nc1cccc(C)c1 ZINC000848999858 642218342 /nfs/dbraw/zinc/21/83/42/642218342.db2.gz BVBGRWPFIGYOGZ-UHFFFAOYSA-N 2 1 257.341 2.136 20 0 CEADMP CCc1[nH]nc(Cl)c1CNC[C@@H]1CC[N@H+](CC)C1 ZINC000921548938 642229918 /nfs/dbraw/zinc/22/99/18/642229918.db2.gz UQSQKYOKZPSMOB-JTQLQIEISA-N 2 1 270.808 2.057 20 0 CEADMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCC1 ZINC000849014625 642230471 /nfs/dbraw/zinc/23/04/71/642230471.db2.gz FTVJKBHYKGIPIC-CYBMUJFWSA-N 2 1 254.422 2.021 20 0 CEADMP C[C@H](C[NH2+]Cc1cccc2[nH]c(=O)oc21)C[NH+]1CCCC1 ZINC000921551194 642231997 /nfs/dbraw/zinc/23/19/97/642231997.db2.gz AUMKQZKITCRMKQ-GFCCVEGCSA-N 2 1 289.379 2.355 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000921625149 642286307 /nfs/dbraw/zinc/28/63/07/642286307.db2.gz RIPGSSOERFBWGO-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000921625149 642286310 /nfs/dbraw/zinc/28/63/10/642286310.db2.gz RIPGSSOERFBWGO-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP C[C@@H]1Cc2cc(C[NH2+][C@H]3CCc4[nH+]ccn4C3)ccc2O1 ZINC000921633763 642290273 /nfs/dbraw/zinc/29/02/73/642290273.db2.gz RGGWQOIKKWEQLS-DOMZBBRYSA-N 2 1 283.375 2.311 20 0 CEADMP CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999580758 642499212 /nfs/dbraw/zinc/49/92/12/642499212.db2.gz OGVFHDTTZBQDHA-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000999575981 642499310 /nfs/dbraw/zinc/49/93/10/642499310.db2.gz SLRDDZXJDYIXQD-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000921689529 642533875 /nfs/dbraw/zinc/53/38/75/642533875.db2.gz FXMOGKIWOWOHHM-LJISPDSOSA-N 2 1 284.469 2.113 20 0 CEADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000921689529 642533879 /nfs/dbraw/zinc/53/38/79/642533879.db2.gz FXMOGKIWOWOHHM-LJISPDSOSA-N 2 1 284.469 2.113 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nccc3c2CCCC3)C1 ZINC000921716718 642559134 /nfs/dbraw/zinc/55/91/34/642559134.db2.gz JVICDABAHVLACH-AWEZNQCLSA-N 2 1 273.424 2.392 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2nccc3c2CCCC3)C1 ZINC000921716718 642559135 /nfs/dbraw/zinc/55/91/35/642559135.db2.gz JVICDABAHVLACH-AWEZNQCLSA-N 2 1 273.424 2.392 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000850172449 642603749 /nfs/dbraw/zinc/60/37/49/642603749.db2.gz BQKBVONKMPPXEQ-KBPBESRZSA-N 2 1 276.428 2.260 20 0 CEADMP COc1cncc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000850320659 642667506 /nfs/dbraw/zinc/66/75/06/642667506.db2.gz YBBAQEURSNRWOO-UHFFFAOYSA-N 2 1 263.385 2.054 20 0 CEADMP COC1CC(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000850342957 642673517 /nfs/dbraw/zinc/67/35/17/642673517.db2.gz WTRMNNFLVYNYCC-UHFFFAOYSA-N 2 1 283.441 2.109 20 0 CEADMP CCOC(=O)NC1CCC([NH2+]CCC[N@@H+](C)C(C)C)CC1 ZINC000850424955 642708049 /nfs/dbraw/zinc/70/80/49/642708049.db2.gz MZZZRGQCZQZFAT-UHFFFAOYSA-N 2 1 299.459 2.364 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cn1 ZINC000850425237 642708563 /nfs/dbraw/zinc/70/85/63/642708563.db2.gz KTGGPOZVBYARMZ-HNNXBMFYSA-N 2 1 298.390 2.377 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCn3nccc32)C1 ZINC000850439796 642713511 /nfs/dbraw/zinc/71/35/11/642713511.db2.gz OPPPSUSMCHFAPJ-BFHYXJOUSA-N 2 1 262.401 2.180 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NCC1=CC[N@@H+](C(C)C)CC1 ZINC001001473256 642723499 /nfs/dbraw/zinc/72/34/99/642723499.db2.gz ZTKWUTMGCYPIEG-INIZCTEOSA-N 2 1 293.455 2.018 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NCC1=CC[N@H+](C(C)C)CC1 ZINC001001473256 642723503 /nfs/dbraw/zinc/72/35/03/642723503.db2.gz ZTKWUTMGCYPIEG-INIZCTEOSA-N 2 1 293.455 2.018 20 0 CEADMP O[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877597682 650807961 /nfs/dbraw/zinc/80/79/61/650807961.db2.gz UTOZFJRGTMDPFZ-NRSFXHEJSA-N 2 1 286.419 2.467 20 0 CEADMP O[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877597682 650807966 /nfs/dbraw/zinc/80/79/66/650807966.db2.gz UTOZFJRGTMDPFZ-NRSFXHEJSA-N 2 1 286.419 2.467 20 0 CEADMP CO[C@H]1CC[C@H]([N@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000852009134 643264963 /nfs/dbraw/zinc/26/49/63/643264963.db2.gz ZPUJZHITEKQNER-GJZGRUSLSA-N 2 1 266.429 2.362 20 0 CEADMP CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001004935540 643364013 /nfs/dbraw/zinc/36/40/13/643364013.db2.gz DBOHIFCOBFDGLQ-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](N)[C@@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923279313 643636037 /nfs/dbraw/zinc/63/60/37/643636037.db2.gz KPYSCONSIFVLSX-IXIBIKRGSA-N 2 1 265.445 2.109 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923279313 643636040 /nfs/dbraw/zinc/63/60/40/643636040.db2.gz KPYSCONSIFVLSX-IXIBIKRGSA-N 2 1 265.445 2.109 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC[C@H](O)c2ccccn2)C1 ZINC000853063140 643641548 /nfs/dbraw/zinc/64/15/48/643641548.db2.gz YXJWPYCYTMUMGG-UXLLHSPISA-N 2 1 291.439 2.073 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853063140 643641551 /nfs/dbraw/zinc/64/15/51/643641551.db2.gz YXJWPYCYTMUMGG-UXLLHSPISA-N 2 1 291.439 2.073 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853063140 643641555 /nfs/dbraw/zinc/64/15/55/643641555.db2.gz YXJWPYCYTMUMGG-UXLLHSPISA-N 2 1 291.439 2.073 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000923289285 643642251 /nfs/dbraw/zinc/64/22/51/643642251.db2.gz ONBNKUMZJKTODP-GXTWGEPZSA-N 2 1 250.361 2.427 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923289685 643643417 /nfs/dbraw/zinc/64/34/17/643643417.db2.gz JLUDKRXXEWROQC-LPHOPBHVSA-N 2 1 298.430 2.285 20 0 CEADMP C[N@@H+](CCC[NH3+])C[C@@H](O)c1ccccc1C(F)(F)F ZINC000923292118 643645157 /nfs/dbraw/zinc/64/51/57/643645157.db2.gz TYHAUJCXGHNLOU-GFCCVEGCSA-N 2 1 276.302 2.019 20 0 CEADMP Cc1ccc([C@H](O)C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000923292796 643645388 /nfs/dbraw/zinc/64/53/88/643645388.db2.gz MXDQQLGZAZPBFX-GOSISDBHSA-N 2 1 288.435 2.492 20 0 CEADMP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923297179 643648363 /nfs/dbraw/zinc/64/83/63/643648363.db2.gz GPCJYZORNVVOKN-JYJNAYRXSA-N 2 1 276.424 2.267 20 0 CEADMP CCCCC[N@@H+](CCO)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923301062 643649249 /nfs/dbraw/zinc/64/92/49/643649249.db2.gz OLHMDKLINDWNBC-MQVJKMGUSA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923316464 643654915 /nfs/dbraw/zinc/65/49/15/643654915.db2.gz UZOCRHNLUMZOHE-CABCVRRESA-N 2 1 266.429 2.123 20 0 CEADMP CCC[N@@H+](CCC[NH2+]C1CC1)C[C@@H]1CCCCO1 ZINC000923311736 643658695 /nfs/dbraw/zinc/65/86/95/643658695.db2.gz VCLKTLCSRNPODN-HNNXBMFYSA-N 2 1 254.418 2.410 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329499 643660744 /nfs/dbraw/zinc/66/07/44/643660744.db2.gz UXYIZTLGYBEANO-BXEXHWSDSA-N 3 1 291.483 2.371 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923325115 643663386 /nfs/dbraw/zinc/66/33/86/643663386.db2.gz ACZYVMGBKUJMSG-SFHVURJKSA-N 2 1 287.451 2.335 20 0 CEADMP C[N@@H+](C[C@@H](O)CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923327278 643664942 /nfs/dbraw/zinc/66/49/42/643664942.db2.gz BQPPMLXMWZCUME-WFFDWFOESA-N 2 1 288.435 2.195 20 0 CEADMP CC(C)[NH+]1CCC(CC[NH2+]Cc2csnn2)CC1 ZINC000877697614 650856357 /nfs/dbraw/zinc/85/63/57/650856357.db2.gz PCLJHNKISOUSIR-UHFFFAOYSA-N 2 1 268.430 2.138 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000923348768 643672529 /nfs/dbraw/zinc/67/25/29/643672529.db2.gz JYYKOJWNCBLDPB-IAQYHMDHSA-N 2 1 284.350 2.059 20 0 CEADMP CCCCCC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923355265 643678598 /nfs/dbraw/zinc/67/85/98/643678598.db2.gz IKSJQVCJMMGSKP-HZPDHXFCSA-N 2 1 268.445 2.393 20 0 CEADMP C[C@H](C[N@H+](C)CCC[NH2+]C1CC1)c1nccs1 ZINC000923373433 643684379 /nfs/dbraw/zinc/68/43/79/643684379.db2.gz PFZKDGQLDFRIOI-LLVKDONJSA-N 2 1 253.415 2.321 20 0 CEADMP C[C@H](C[N@@H+](C)CCC[NH2+]C1CC1)c1nccs1 ZINC000923373433 643684381 /nfs/dbraw/zinc/68/43/81/643684381.db2.gz PFZKDGQLDFRIOI-LLVKDONJSA-N 2 1 253.415 2.321 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000923382946 643688404 /nfs/dbraw/zinc/68/84/04/643688404.db2.gz NZCHJQORVLBEJX-QPSCCSFWSA-N 2 1 256.434 2.089 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923391265 643690567 /nfs/dbraw/zinc/69/05/67/643690567.db2.gz XECFDWLDUQTIEY-SJORKVTESA-N 2 1 282.472 2.495 20 0 CEADMP C(C1CCC1)[C@@H]1CCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923394541 643694446 /nfs/dbraw/zinc/69/44/46/643694446.db2.gz CXGZKWUATRZGDH-JKSUJKDBSA-N 2 1 278.440 2.410 20 0 CEADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923413287 643702261 /nfs/dbraw/zinc/70/22/61/643702261.db2.gz VSNMEWHETQANRT-SWVJOTTGSA-N 2 1 264.413 2.043 20 0 CEADMP C[C@H]1c2sccc2CC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923425561 643705305 /nfs/dbraw/zinc/70/53/05/643705305.db2.gz HLWLJNDGOJHZOM-WCQYABFASA-N 2 1 278.421 2.046 20 0 CEADMP c1c2n(nc1C1CC1)CC[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000923439803 643716038 /nfs/dbraw/zinc/71/60/38/643716038.db2.gz JERXVCHVOTUKQW-UHFFFAOYSA-N 2 1 288.439 2.356 20 0 CEADMP CC(C)(C)c1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)no1 ZINC000923481219 643731669 /nfs/dbraw/zinc/73/16/69/643731669.db2.gz NVASGHCVDJJMFK-LLVKDONJSA-N 2 1 251.374 2.143 20 0 CEADMP Cc1ccc2c(C[N@H+]3CC[C@@H](CC[NH3+])C3)cc(=O)oc2c1 ZINC000923485266 643732927 /nfs/dbraw/zinc/73/29/27/643732927.db2.gz RXOWGOVEVXQUCE-CYBMUJFWSA-N 2 1 286.375 2.272 20 0 CEADMP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923485937 643732940 /nfs/dbraw/zinc/73/29/40/643732940.db2.gz ZIUZQVBSJGEERF-KGLIPLIRSA-N 2 1 289.423 2.247 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(C)s1 ZINC000923496304 643734136 /nfs/dbraw/zinc/73/41/36/643734136.db2.gz HHICJJFEZYFAHI-JQWIXIFHSA-N 2 1 296.436 2.260 20 0 CEADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496501 643734399 /nfs/dbraw/zinc/73/43/99/643734399.db2.gz JANIPEFIJLMMMN-RBSFLKMASA-N 2 1 299.422 2.245 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)COC3)CC[C@@H]1C[NH3+] ZINC000923495761 643734505 /nfs/dbraw/zinc/73/45/05/643734505.db2.gz XOINQXJGEPMWGK-GXTWGEPZSA-N 2 1 260.381 2.134 20 0 CEADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923491313 643736188 /nfs/dbraw/zinc/73/61/88/643736188.db2.gz HUAVMWCBWZZFCE-NEPJUHHUSA-N 2 1 295.814 2.338 20 0 CEADMP C[C@@H]1C[N@@H+](CCOCc2ccccc2)CC[C@H]1C[NH3+] ZINC000923494872 643737955 /nfs/dbraw/zinc/73/79/55/643737955.db2.gz PUAKSUSXPCQNPI-ZBFHGGJFSA-N 2 1 262.397 2.120 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000923494291 643738153 /nfs/dbraw/zinc/73/81/53/643738153.db2.gz VYJPHXXJTOITMH-CYBMUJFWSA-N 2 1 288.370 2.182 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923494189 643738748 /nfs/dbraw/zinc/73/87/48/643738748.db2.gz WGUMAOWCWUOTES-ILXRZTDVSA-N 2 1 256.434 2.234 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC[C@H]1C[NH3+] ZINC000923499040 643741246 /nfs/dbraw/zinc/74/12/46/643741246.db2.gz QKEKPVSKCWCZQD-JQWIXIFHSA-N 2 1 254.324 2.382 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C)CC[C@@H]1C[NH3+] ZINC000923500394 643741760 /nfs/dbraw/zinc/74/17/60/643741760.db2.gz OFXKXAKXOJCHHV-ZIAGYGMSSA-N 2 1 261.413 2.169 20 0 CEADMP CCN(C(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)C1CCCCC1 ZINC000923510919 643745987 /nfs/dbraw/zinc/74/59/87/643745987.db2.gz YASHCXBXCRWJOL-CABCVRRESA-N 2 1 295.471 2.084 20 0 CEADMP c1cnc2cccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2c1 ZINC000923516244 643747569 /nfs/dbraw/zinc/74/75/69/643747569.db2.gz WPTVZGHCENNYQH-DZGCQCFKSA-N 2 1 267.376 2.276 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000923526791 643751236 /nfs/dbraw/zinc/75/12/36/643751236.db2.gz UYZPCFCJHINQQX-ROJDOSBLSA-N 2 1 260.381 2.140 20 0 CEADMP C(C[NH2+]C1CC1)C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923549604 643761070 /nfs/dbraw/zinc/76/10/70/643761070.db2.gz NHUMNEVQHJFWRH-HNNXBMFYSA-N 2 1 266.429 2.267 20 0 CEADMP [NH3+]CCCCCCC[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000923558965 643762067 /nfs/dbraw/zinc/76/20/67/643762067.db2.gz ZZUHHYOMAOXTKW-INIZCTEOSA-N 2 1 289.423 2.069 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000923558965 643762072 /nfs/dbraw/zinc/76/20/72/643762072.db2.gz ZZUHHYOMAOXTKW-INIZCTEOSA-N 2 1 289.423 2.069 20 0 CEADMP CCn1cnc2c1CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000923558947 643762237 /nfs/dbraw/zinc/76/22/37/643762237.db2.gz ZSTHAVUQCRYVPO-UHFFFAOYSA-N 2 1 276.428 2.041 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC3(Cl)Cl)CC[C@H]21 ZINC000877740411 650882752 /nfs/dbraw/zinc/88/27/52/650882752.db2.gz RNACOKZEFWLWTM-OUAUKWLOSA-N 2 1 263.212 2.206 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CC3(Cl)Cl)CC[C@H]21 ZINC000877740411 650882755 /nfs/dbraw/zinc/88/27/55/650882755.db2.gz RNACOKZEFWLWTM-OUAUKWLOSA-N 2 1 263.212 2.206 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CC3(Cl)Cl)CC[C@H]21 ZINC000877740411 650882758 /nfs/dbraw/zinc/88/27/58/650882758.db2.gz RNACOKZEFWLWTM-OUAUKWLOSA-N 2 1 263.212 2.206 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CC3(Cl)Cl)CC[C@H]21 ZINC000877740411 650882760 /nfs/dbraw/zinc/88/27/60/650882760.db2.gz RNACOKZEFWLWTM-OUAUKWLOSA-N 2 1 263.212 2.206 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](CC3Cc4ccccc4C3)CC[C@H]21 ZINC000877740608 650884040 /nfs/dbraw/zinc/88/40/40/650884040.db2.gz KKUBZTMMEQJWPJ-ZWKOTPCHSA-N 2 1 270.420 2.427 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](CC3Cc4ccccc4C3)CC[C@H]21 ZINC000877740608 650884047 /nfs/dbraw/zinc/88/40/47/650884047.db2.gz KKUBZTMMEQJWPJ-ZWKOTPCHSA-N 2 1 270.420 2.427 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](CC3Cc4ccccc4C3)CC[C@H]21 ZINC000877740608 650884049 /nfs/dbraw/zinc/88/40/49/650884049.db2.gz KKUBZTMMEQJWPJ-ZWKOTPCHSA-N 2 1 270.420 2.427 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc4n[nH]cc43)CC[C@@H]21 ZINC000877742450 650887590 /nfs/dbraw/zinc/88/75/90/650887590.db2.gz ZCENDCBSVWPGTL-CJNGLKHVSA-N 2 1 270.380 2.089 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc4n[nH]cc43)CC[C@@H]21 ZINC000877742450 650887591 /nfs/dbraw/zinc/88/75/91/650887591.db2.gz ZCENDCBSVWPGTL-CJNGLKHVSA-N 2 1 270.380 2.089 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc4n[nH]cc43)CC[C@@H]21 ZINC000877742450 650887592 /nfs/dbraw/zinc/88/75/92/650887592.db2.gz ZCENDCBSVWPGTL-CJNGLKHVSA-N 2 1 270.380 2.089 20 0 CEADMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC000886286672 644250140 /nfs/dbraw/zinc/25/01/40/644250140.db2.gz AABRFPDVKKAIDX-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC000886286672 644250141 /nfs/dbraw/zinc/25/01/41/644250141.db2.gz AABRFPDVKKAIDX-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnc(N(C)C)c2)C[C@H]1C ZINC000754050631 644316410 /nfs/dbraw/zinc/31/64/10/644316410.db2.gz PMAKUKAOSRECPN-GDBMZVCRSA-N 2 1 290.455 2.452 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnc(N(C)C)c2)C[C@H]1C ZINC000754050631 644316411 /nfs/dbraw/zinc/31/64/11/644316411.db2.gz PMAKUKAOSRECPN-GDBMZVCRSA-N 2 1 290.455 2.452 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnc(N(C)C)c2)C[C@H]1C ZINC000754050631 644316421 /nfs/dbraw/zinc/31/64/21/644316421.db2.gz PMAKUKAOSRECPN-GDBMZVCRSA-N 2 1 290.455 2.452 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnc(N(C)C)c2)C[C@H]1C ZINC000754050631 644316424 /nfs/dbraw/zinc/31/64/24/644316424.db2.gz PMAKUKAOSRECPN-GDBMZVCRSA-N 2 1 290.455 2.452 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CCO)c1cccs1 ZINC000754383920 644365628 /nfs/dbraw/zinc/36/56/28/644365628.db2.gz PUJCHGXLSOEJIK-CHWSQXEVSA-N 2 1 268.426 2.246 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CCO)c1cccs1 ZINC000754383920 644365633 /nfs/dbraw/zinc/36/56/33/644365633.db2.gz PUJCHGXLSOEJIK-CHWSQXEVSA-N 2 1 268.426 2.246 20 0 CEADMP C[C@@H](CN[C@H]1CC[NH2+]C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000925491082 644804498 /nfs/dbraw/zinc/80/44/98/644804498.db2.gz IQRIYBLMDNOLLS-YJBOKZPZSA-N 2 1 299.462 2.307 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CCO1 ZINC000857226357 644860061 /nfs/dbraw/zinc/86/00/61/644860061.db2.gz LLYVNCVWLZTPJX-KBUPBQIOSA-N 2 1 252.402 2.005 20 0 CEADMP CCOc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925492111 645052336 /nfs/dbraw/zinc/05/23/36/645052336.db2.gz GVVVKPQEULDFGJ-LSDHHAIUSA-N 2 1 260.381 2.445 20 0 CEADMP Cc1ccccc1[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858134063 645070780 /nfs/dbraw/zinc/07/07/80/645070780.db2.gz HYSDUIHAYKALDB-HOCLYGCPSA-N 2 1 276.424 2.491 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccnc(F)c1 ZINC000858184022 645082264 /nfs/dbraw/zinc/08/22/64/645082264.db2.gz HDKBEODAGTYUBH-UHFFFAOYSA-N 2 1 253.365 2.288 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccnc(F)c1 ZINC000858184022 645082270 /nfs/dbraw/zinc/08/22/70/645082270.db2.gz HDKBEODAGTYUBH-UHFFFAOYSA-N 2 1 253.365 2.288 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)C(C)(C)C)CC1 ZINC000759966625 645097368 /nfs/dbraw/zinc/09/73/68/645097368.db2.gz MNIJVFMFVBGYDQ-CYBMUJFWSA-N 2 1 254.418 2.408 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2(O)CCCCC2)CC1 ZINC000759978367 645099247 /nfs/dbraw/zinc/09/92/47/645099247.db2.gz ULYWOMQNSNQJQY-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP OCc1cc(NCC[N@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000858343114 645126211 /nfs/dbraw/zinc/12/62/11/645126211.db2.gz SWIZIZVIDDQKOC-UHFFFAOYSA-N 2 1 283.375 2.044 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccnc(F)c2)C1 ZINC000859152463 645389561 /nfs/dbraw/zinc/38/95/61/645389561.db2.gz AVTRJZUSPRHVDC-HNNXBMFYSA-N 2 1 295.402 2.153 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccnc(F)c2)C1 ZINC000859152463 645389564 /nfs/dbraw/zinc/38/95/64/645389564.db2.gz AVTRJZUSPRHVDC-HNNXBMFYSA-N 2 1 295.402 2.153 20 0 CEADMP CO[C@H]1C[C@@H](C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000878136191 651010998 /nfs/dbraw/zinc/01/09/98/651010998.db2.gz TXTGVCHHYXGOLU-KFWWJZLASA-N 2 1 254.418 2.218 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H](O)C(C)C)C1 ZINC000878159617 651018206 /nfs/dbraw/zinc/01/82/06/651018206.db2.gz OVEHTVQYYNKNEF-GJZGRUSLSA-N 2 1 256.434 2.057 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H](O)C(C)C)C1 ZINC000878159617 651018209 /nfs/dbraw/zinc/01/82/09/651018209.db2.gz OVEHTVQYYNKNEF-GJZGRUSLSA-N 2 1 256.434 2.057 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000764512574 645651464 /nfs/dbraw/zinc/65/14/64/645651464.db2.gz IEVTYMIHQICZNL-DJIMGWMZSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000764512574 645651469 /nfs/dbraw/zinc/65/14/69/645651469.db2.gz IEVTYMIHQICZNL-DJIMGWMZSA-N 2 1 276.424 2.258 20 0 CEADMP COc1ccc2c(c1)[nH+]ccc2N1CCC[N@@H+](C)CC1 ZINC000765447730 645770176 /nfs/dbraw/zinc/77/01/76/645770176.db2.gz DKJHCWPOWPKYNM-UHFFFAOYSA-N 2 1 271.364 2.385 20 0 CEADMP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000767351925 645979280 /nfs/dbraw/zinc/97/92/80/645979280.db2.gz ASKZBVGUNUQSOQ-TVFCKZIOSA-N 2 1 286.419 2.243 20 0 CEADMP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000767351925 645979282 /nfs/dbraw/zinc/97/92/82/645979282.db2.gz ASKZBVGUNUQSOQ-TVFCKZIOSA-N 2 1 286.419 2.243 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@@H](C(F)(F)F)C1 ZINC000767585135 646009418 /nfs/dbraw/zinc/00/94/18/646009418.db2.gz DFCKHTUVGNRXGX-GHMZBOCLSA-N 2 1 250.308 2.355 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](C(F)(F)F)C1 ZINC000767585135 646009419 /nfs/dbraw/zinc/00/94/19/646009419.db2.gz DFCKHTUVGNRXGX-GHMZBOCLSA-N 2 1 250.308 2.355 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](C(F)(F)F)C1 ZINC000767585135 646009424 /nfs/dbraw/zinc/00/94/24/646009424.db2.gz DFCKHTUVGNRXGX-GHMZBOCLSA-N 2 1 250.308 2.355 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000767585135 646009427 /nfs/dbraw/zinc/00/94/27/646009427.db2.gz DFCKHTUVGNRXGX-GHMZBOCLSA-N 2 1 250.308 2.355 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000767585135 646009432 /nfs/dbraw/zinc/00/94/32/646009432.db2.gz DFCKHTUVGNRXGX-GHMZBOCLSA-N 2 1 250.308 2.355 20 0 CEADMP CCOC(CN(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)OCC ZINC000767792331 646041017 /nfs/dbraw/zinc/04/10/17/646041017.db2.gz LLVXIXVGGSXAIR-ZIAGYGMSSA-N 2 1 272.433 2.190 20 0 CEADMP CCOC(C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1)OCC ZINC000767792331 646041024 /nfs/dbraw/zinc/04/10/24/646041024.db2.gz LLVXIXVGGSXAIR-ZIAGYGMSSA-N 2 1 272.433 2.190 20 0 CEADMP CCOC(C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1)OCC ZINC000767792331 646041026 /nfs/dbraw/zinc/04/10/26/646041026.db2.gz LLVXIXVGGSXAIR-ZIAGYGMSSA-N 2 1 272.433 2.190 20 0 CEADMP CCOC(C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)OCC ZINC000767792331 646041033 /nfs/dbraw/zinc/04/10/33/646041033.db2.gz LLVXIXVGGSXAIR-ZIAGYGMSSA-N 2 1 272.433 2.190 20 0 CEADMP CCOC(C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)OCC ZINC000767792331 646041046 /nfs/dbraw/zinc/04/10/46/646041046.db2.gz LLVXIXVGGSXAIR-ZIAGYGMSSA-N 2 1 272.433 2.190 20 0 CEADMP CCO[C@H]1C[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C1(C)C ZINC000770510815 646399974 /nfs/dbraw/zinc/39/99/74/646399974.db2.gz RFUQWYJQMKXPFH-GJZGRUSLSA-N 2 1 268.445 2.464 20 0 CEADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)[C@H](C)[C@H]1C ZINC000771392781 646516378 /nfs/dbraw/zinc/51/63/78/646516378.db2.gz AQDXDUYXIYCSQZ-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)[C@H](C)[C@H]1C ZINC000771392781 646516381 /nfs/dbraw/zinc/51/63/81/646516381.db2.gz AQDXDUYXIYCSQZ-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000771392781 646516384 /nfs/dbraw/zinc/51/63/84/646516384.db2.gz AQDXDUYXIYCSQZ-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000771392781 646516386 /nfs/dbraw/zinc/51/63/86/646516386.db2.gz AQDXDUYXIYCSQZ-HUUCEWRRSA-N 2 1 283.460 2.050 20 0 CEADMP Cc1[nH+]ccn1CCOC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000771975460 646579777 /nfs/dbraw/zinc/57/97/77/646579777.db2.gz DWZUZQQAAHNCPL-OAHLLOKOSA-N 2 1 293.411 2.245 20 0 CEADMP Cc1ncc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000773084391 646704886 /nfs/dbraw/zinc/70/48/86/646704886.db2.gz YWMHMWWKHFVTNO-CMPLNLGQSA-N 2 1 253.415 2.066 20 0 CEADMP CC[N@@H+](CCC1CCN([C@H]2CCOC2=O)CC1)CC(C)C ZINC000773737311 646771002 /nfs/dbraw/zinc/77/10/02/646771002.db2.gz RYKNYYLOAWIAAD-INIZCTEOSA-N 2 1 296.455 2.382 20 0 CEADMP CC[N@H+](CCC1CC[NH+]([C@H]2CCOC2=O)CC1)CC(C)C ZINC000773737311 646771006 /nfs/dbraw/zinc/77/10/06/646771006.db2.gz RYKNYYLOAWIAAD-INIZCTEOSA-N 2 1 296.455 2.382 20 0 CEADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCOC2=O)CC1)CC(C)C ZINC000773737311 646771013 /nfs/dbraw/zinc/77/10/13/646771013.db2.gz RYKNYYLOAWIAAD-INIZCTEOSA-N 2 1 296.455 2.382 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000775389406 646949208 /nfs/dbraw/zinc/94/92/08/646949208.db2.gz YFZNJCYPEVXFAD-SYQHCUMBSA-N 2 1 286.510 2.297 20 0 CEADMP C[C@@H]1C[C@H]1NC(=[NH2+])NCCCC[N@H+]1CCCC[C@H]1C ZINC000864451395 647007648 /nfs/dbraw/zinc/00/76/48/647007648.db2.gz HQJPJXJVRCRTLB-MGPQQGTHSA-N 2 1 266.433 2.163 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(F)nc2)C1 ZINC000779160985 647292926 /nfs/dbraw/zinc/29/29/26/647292926.db2.gz DWSRXXRCAXCHBD-HNNXBMFYSA-N 2 1 295.402 2.153 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000779160985 647292931 /nfs/dbraw/zinc/29/29/31/647292931.db2.gz DWSRXXRCAXCHBD-HNNXBMFYSA-N 2 1 295.402 2.153 20 0 CEADMP C[C@@H](CCO)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000779340644 647314605 /nfs/dbraw/zinc/31/46/05/647314605.db2.gz JQTHPEYXCHMVMF-RDJZCZTQSA-N 2 1 276.424 2.259 20 0 CEADMP Cc1c[nH]nc1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865716951 647437541 /nfs/dbraw/zinc/43/75/41/647437541.db2.gz JCHIMQOIXIGOFE-UHFFFAOYSA-N 2 1 264.417 2.318 20 0 CEADMP FC(F)(F)c1c[nH+]ccc1NCC[N@@H+]1CC=CCC1 ZINC000865747330 647450339 /nfs/dbraw/zinc/45/03/39/647450339.db2.gz NWFQYTOVVWPZNC-UHFFFAOYSA-N 2 1 271.286 2.196 20 0 CEADMP CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865806183 647471426 /nfs/dbraw/zinc/47/14/26/647471426.db2.gz NDPBGPZCXWSEGG-NUJGCVRESA-N 2 1 285.435 2.390 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000783242995 647699489 /nfs/dbraw/zinc/69/94/89/647699489.db2.gz IUQNJBUJNULQCQ-UBDQQSCGSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000783242995 647699503 /nfs/dbraw/zinc/69/95/03/647699503.db2.gz IUQNJBUJNULQCQ-UBDQQSCGSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H]1CC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000783250257 647701004 /nfs/dbraw/zinc/70/10/04/647701004.db2.gz GJAFVAJEJJJQLZ-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C(C)C)C(C)C)CC[N@H+]1C ZINC000866280254 647714128 /nfs/dbraw/zinc/71/41/28/647714128.db2.gz QOLALDOATMUXLK-JKSUJKDBSA-N 2 1 297.487 2.342 20 0 CEADMP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)nc(N)[nH+]1 ZINC000784334894 647837521 /nfs/dbraw/zinc/83/75/21/647837521.db2.gz JFHGEPGPZUBFGF-HIFRSBDPSA-N 2 1 283.379 2.225 20 0 CEADMP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000866659887 647858633 /nfs/dbraw/zinc/85/86/33/647858633.db2.gz WOYULYIQIPLSHZ-HOCLYGCPSA-N 2 1 289.423 2.017 20 0 CEADMP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000866659887 647858636 /nfs/dbraw/zinc/85/86/36/647858636.db2.gz WOYULYIQIPLSHZ-HOCLYGCPSA-N 2 1 289.423 2.017 20 0 CEADMP Cc1ccc2c(C[N@H+]3C[C@@H](C[NH3+])[C@H](C)C3)cc(=O)oc2c1 ZINC000866674077 647863709 /nfs/dbraw/zinc/86/37/09/647863709.db2.gz QKAVXYZJGSLKRT-TZMCWYRMSA-N 2 1 286.375 2.128 20 0 CEADMP CO[C@@H](C[N@H+]1CC[NH2+]CCC1(C)C)C1CCCC1 ZINC000866697143 647872613 /nfs/dbraw/zinc/87/26/13/647872613.db2.gz HDIBTUWRXMCTFW-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)C1SCCS1 ZINC000866718192 647881210 /nfs/dbraw/zinc/88/12/10/647881210.db2.gz YOOHLWUJYJXNGF-VXGBXAGGSA-N 2 1 272.483 2.257 20 0 CEADMP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)C1SCCS1 ZINC000866718192 647881215 /nfs/dbraw/zinc/88/12/15/647881215.db2.gz YOOHLWUJYJXNGF-VXGBXAGGSA-N 2 1 272.483 2.257 20 0 CEADMP Cc1cncc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000866720813 647882177 /nfs/dbraw/zinc/88/21/77/647882177.db2.gz OGVDCODSAQTOES-HOTGVXAUSA-N 2 1 287.407 2.048 20 0 CEADMP CCOCOc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000787305900 648097393 /nfs/dbraw/zinc/09/73/93/648097393.db2.gz PTXZJFQYCFPIFC-IYBDPMFKSA-N 2 1 290.407 2.053 20 0 CEADMP CCOCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000787305900 648097397 /nfs/dbraw/zinc/09/73/97/648097397.db2.gz PTXZJFQYCFPIFC-IYBDPMFKSA-N 2 1 290.407 2.053 20 0 CEADMP CCOCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000787305900 648097401 /nfs/dbraw/zinc/09/74/01/648097401.db2.gz PTXZJFQYCFPIFC-IYBDPMFKSA-N 2 1 290.407 2.053 20 0 CEADMP CCOCOc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000787305900 648097404 /nfs/dbraw/zinc/09/74/04/648097404.db2.gz PTXZJFQYCFPIFC-IYBDPMFKSA-N 2 1 290.407 2.053 20 0 CEADMP CC1=CC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)CC1 ZINC000788594617 648205533 /nfs/dbraw/zinc/20/55/33/648205533.db2.gz NXVKHGUZZYTRPI-INIZCTEOSA-N 2 1 265.445 2.102 20 0 CEADMP Cc1cccc(C[N@H+](C)C[C@@H](O)C[NH+]2CCCC2)c1C ZINC000794639394 648897541 /nfs/dbraw/zinc/89/75/41/648897541.db2.gz AKLRCGIAKLQCMF-QGZVFWFLSA-N 2 1 276.424 2.192 20 0 CEADMP Cc1cccc(C[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)c1C ZINC000794639394 648897548 /nfs/dbraw/zinc/89/75/48/648897548.db2.gz AKLRCGIAKLQCMF-QGZVFWFLSA-N 2 1 276.424 2.192 20 0 CEADMP C[C@@H](C(=O)N1CC[NH+](C)C(C)(C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000871153683 649015195 /nfs/dbraw/zinc/01/51/95/649015195.db2.gz QUUNSBLQKWMWOB-ZNMIVQPWSA-N 2 1 295.471 2.190 20 0 CEADMP C[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000871153683 649015198 /nfs/dbraw/zinc/01/51/98/649015198.db2.gz QUUNSBLQKWMWOB-ZNMIVQPWSA-N 2 1 295.471 2.190 20 0 CEADMP C[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000871153683 649015203 /nfs/dbraw/zinc/01/52/03/649015203.db2.gz QUUNSBLQKWMWOB-ZNMIVQPWSA-N 2 1 295.471 2.190 20 0 CEADMP C1CC1[N@@H+]1CCC[C@@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871797751 649189756 /nfs/dbraw/zinc/18/97/56/649189756.db2.gz BFXNMYIVXLSXPM-GPWHNMLOSA-N 2 1 288.395 2.367 20 0 CEADMP C1CC1[N@H+]1CCC[C@@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871797751 649189760 /nfs/dbraw/zinc/18/97/60/649189760.db2.gz BFXNMYIVXLSXPM-GPWHNMLOSA-N 2 1 288.395 2.367 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCOC1 ZINC000872021444 649243468 /nfs/dbraw/zinc/24/34/68/649243468.db2.gz PLFYEVHOHBYARK-LZWOXQAQSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC[N@@H+]1C ZINC000872123071 649283990 /nfs/dbraw/zinc/28/39/90/649283990.db2.gz LWSCFCCWHXRAQL-CMPLNLGQSA-N 2 1 275.352 2.106 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC[N@H+]1C ZINC000872123071 649283991 /nfs/dbraw/zinc/28/39/91/649283991.db2.gz LWSCFCCWHXRAQL-CMPLNLGQSA-N 2 1 275.352 2.106 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC4(CCC4)CO3)C[C@H]21 ZINC000872143495 649292761 /nfs/dbraw/zinc/29/27/61/649292761.db2.gz NZDZRXUOXNBAOM-LXTVHRRPSA-N 2 1 264.413 2.005 20 0 CEADMP COC(=O)c1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1C ZINC000872144787 649294705 /nfs/dbraw/zinc/29/47/05/649294705.db2.gz ITDJAIVPMSOUMX-CQSZACIVSA-N 2 1 278.396 2.245 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)C1CCCCC1 ZINC000872145032 649295767 /nfs/dbraw/zinc/29/57/67/649295767.db2.gz MSAFKGDFTARFBC-HZPDHXFCSA-N 2 1 296.455 2.069 20 0 CEADMP COC(=O)c1ccc(C[N@@H+](C)CCCCCC[NH3+])s1 ZINC000872155179 649298717 /nfs/dbraw/zinc/29/87/17/649298717.db2.gz FXQNDWPUBRUAGG-UHFFFAOYSA-N 2 1 284.425 2.486 20 0 CEADMP CCc1noc([C@@H](C)[N@H+](C)CCCCCC[NH3+])n1 ZINC000872155650 649299367 /nfs/dbraw/zinc/29/93/67/649299367.db2.gz XOWPTYZXFFPYIV-LLVKDONJSA-N 2 1 254.378 2.144 20 0 CEADMP CCc1noc([C@@H](C)[N@@H+](C)CCCCCC[NH3+])n1 ZINC000872155650 649299369 /nfs/dbraw/zinc/29/93/69/649299369.db2.gz XOWPTYZXFFPYIV-LLVKDONJSA-N 2 1 254.378 2.144 20 0 CEADMP COCC1([N@@H+](C)C[C@@H](C[NH3+])c2ccc(OC)cc2)CCC1 ZINC000872157905 649300307 /nfs/dbraw/zinc/30/03/07/649300307.db2.gz URDWOKRNBUGZPV-OAHLLOKOSA-N 2 1 292.423 2.238 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000872219380 649320076 /nfs/dbraw/zinc/32/00/76/649320076.db2.gz ZBABOYFERWQXQJ-ZTFGCOKTSA-N 2 1 288.435 2.115 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872279375 649341627 /nfs/dbraw/zinc/34/16/27/649341627.db2.gz DCOOTNWSSVQFIS-OAGGEKHMSA-N 2 1 295.471 2.131 20 0 CEADMP CC(C)c1[nH+]ccn1CCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872280557 649342209 /nfs/dbraw/zinc/34/22/09/649342209.db2.gz MOZWOUUBSVYMJP-KGLIPLIRSA-N 2 1 292.427 2.030 20 0 CEADMP c1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)c(C2CC2)c[nH+]1 ZINC000872409298 649383298 /nfs/dbraw/zinc/38/32/98/649383298.db2.gz WWCCVYJUTJRGOU-LBPRGKRZSA-N 2 1 257.381 2.277 20 0 CEADMP CC(C)[N@H+]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873201869 649586482 /nfs/dbraw/zinc/58/64/82/649586482.db2.gz ZSVIBZSTFQJWCJ-UHFFFAOYSA-N 2 1 293.480 2.310 20 0 CEADMP CC(C)N1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873201869 649586486 /nfs/dbraw/zinc/58/64/86/649586486.db2.gz ZSVIBZSTFQJWCJ-UHFFFAOYSA-N 2 1 293.480 2.310 20 0 CEADMP CC(C)N1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873201869 649586491 /nfs/dbraw/zinc/58/64/91/649586491.db2.gz ZSVIBZSTFQJWCJ-UHFFFAOYSA-N 2 1 293.480 2.310 20 0 CEADMP CN(Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000873204557 649587760 /nfs/dbraw/zinc/58/77/60/649587760.db2.gz GUNQJNWVFAQGEC-CQSZACIVSA-N 2 1 291.464 2.062 20 0 CEADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCN(C2CC2)C1 ZINC000873204557 649587764 /nfs/dbraw/zinc/58/77/64/649587764.db2.gz GUNQJNWVFAQGEC-CQSZACIVSA-N 2 1 291.464 2.062 20 0 CEADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCN(C2CC2)C1 ZINC000873204557 649587767 /nfs/dbraw/zinc/58/77/67/649587767.db2.gz GUNQJNWVFAQGEC-CQSZACIVSA-N 2 1 291.464 2.062 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000873223462 649597924 /nfs/dbraw/zinc/59/79/24/649597924.db2.gz NSMZKWUIHCHDLL-TZMCWYRMSA-N 2 1 256.459 2.436 20 0 CEADMP COCCC1([NH2+]Cc2cnc(Cl)c(C)c2)CC[NH2+]CC1 ZINC000873225401 649598801 /nfs/dbraw/zinc/59/88/01/649598801.db2.gz XUMZOTNONYFFQM-UHFFFAOYSA-N 2 1 297.830 2.292 20 0 CEADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873236703 649604811 /nfs/dbraw/zinc/60/48/11/649604811.db2.gz IPZBOSRNLWFPJP-HUUCEWRRSA-N 2 1 278.444 2.276 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)[C@@H]1CCCOC1 ZINC000873238281 649605032 /nfs/dbraw/zinc/60/50/32/649605032.db2.gz YXRCZVPVGSYZNI-MJBXVCDLSA-N 2 1 254.418 2.169 20 0 CEADMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000873245938 649607561 /nfs/dbraw/zinc/60/75/61/649607561.db2.gz PYGOOVSCJJGTDC-MRXNPFEDSA-N 3 1 281.488 2.475 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1c[nH+]ccc1N ZINC000873252373 649610000 /nfs/dbraw/zinc/61/00/00/649610000.db2.gz ONAPIKPNZADRKG-XBFCOCLRSA-N 2 1 275.396 2.207 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1noc2cc(F)ccc21 ZINC000873274905 649621037 /nfs/dbraw/zinc/62/10/37/649621037.db2.gz HKIPGJWXNJQUKE-BDAKNGLRSA-N 2 1 251.305 2.182 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2Cc3ccccc3C[NH2+]2)[C@H]2CCC[C@@H]21 ZINC000873296959 649632517 /nfs/dbraw/zinc/63/25/17/649632517.db2.gz OKWNFGCAGRMESA-RDGPPVDQSA-N 2 1 299.462 2.163 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CN2)[C@H]2CCC[C@@H]21 ZINC000873296959 649632518 /nfs/dbraw/zinc/63/25/18/649632518.db2.gz OKWNFGCAGRMESA-RDGPPVDQSA-N 2 1 299.462 2.163 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CN2)[C@H]2CCC[C@@H]21 ZINC000873296959 649632520 /nfs/dbraw/zinc/63/25/20/649632520.db2.gz OKWNFGCAGRMESA-RDGPPVDQSA-N 2 1 299.462 2.163 20 0 CEADMP CCC[C@@H](CC)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000874468759 649779115 /nfs/dbraw/zinc/77/91/15/649779115.db2.gz QQELCIWODHPJDM-OAHLLOKOSA-N 2 1 297.487 2.297 20 0 CEADMP CCC[C@@H](CC)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000874468759 649779117 /nfs/dbraw/zinc/77/91/17/649779117.db2.gz QQELCIWODHPJDM-OAHLLOKOSA-N 2 1 297.487 2.297 20 0 CEADMP C[C@@H]1C[N@@H+](CCCC2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878324284 651068016 /nfs/dbraw/zinc/06/80/16/651068016.db2.gz KGPFIGJZAMXXRG-WBVHZDCISA-N 2 1 279.472 2.134 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H]3CCC4(CCC4)O3)C2)C1 ZINC000878646020 651150610 /nfs/dbraw/zinc/15/06/10/651150610.db2.gz TVVCNIMJDGUJSL-CABCVRRESA-N 2 1 264.413 2.116 20 0 CEADMP COCC[N@H+](CC1CCC(=O)CC1)CC1CC[NH+](C)CC1 ZINC000879126569 651247306 /nfs/dbraw/zinc/24/73/06/651247306.db2.gz JLJOJXMXOWKFPT-UHFFFAOYSA-N 2 1 296.455 2.036 20 0 CEADMP CCc1cnc(C[N@H+](CCOC)CC2CC[NH+](C)CC2)o1 ZINC000879125087 651247539 /nfs/dbraw/zinc/24/75/39/651247539.db2.gz OTMYRKRTWFDFOA-UHFFFAOYSA-N 2 1 295.427 2.027 20 0 CEADMP CCc1cnc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)o1 ZINC000879125087 651247542 /nfs/dbraw/zinc/24/75/42/651247542.db2.gz OTMYRKRTWFDFOA-UHFFFAOYSA-N 2 1 295.427 2.027 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2CSC[C@H]2C1 ZINC000879564189 651322296 /nfs/dbraw/zinc/32/22/96/651322296.db2.gz XNAHPFAQFFKYPI-BFHYXJOUSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879564189 651322297 /nfs/dbraw/zinc/32/22/97/651322297.db2.gz XNAHPFAQFFKYPI-BFHYXJOUSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879564189 651322299 /nfs/dbraw/zinc/32/22/99/651322299.db2.gz XNAHPFAQFFKYPI-BFHYXJOUSA-N 2 1 254.443 2.156 20 0 CEADMP CN(C)c1cccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879572455 651324204 /nfs/dbraw/zinc/32/42/04/651324204.db2.gz HNPXTJCPDBCJGY-NVXWUHKLSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1cccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879572455 651324205 /nfs/dbraw/zinc/32/42/05/651324205.db2.gz HNPXTJCPDBCJGY-NVXWUHKLSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000879572455 651324206 /nfs/dbraw/zinc/32/42/06/651324206.db2.gz HNPXTJCPDBCJGY-NVXWUHKLSA-N 2 1 273.424 2.279 20 0 CEADMP CN(C)c1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000879572455 651324207 /nfs/dbraw/zinc/32/42/07/651324207.db2.gz HNPXTJCPDBCJGY-NVXWUHKLSA-N 2 1 273.424 2.279 20 0 CEADMP COc1cccc(OCC[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879578737 651325785 /nfs/dbraw/zinc/32/57/85/651325785.db2.gz VQIJKUNZFBKKMJ-PBHICJAKSA-N 2 1 290.407 2.100 20 0 CEADMP COc1cccc(OCC[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879578737 651325788 /nfs/dbraw/zinc/32/57/88/651325788.db2.gz VQIJKUNZFBKKMJ-PBHICJAKSA-N 2 1 290.407 2.100 20 0 CEADMP COc1cccc(OCC[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000879578737 651325790 /nfs/dbraw/zinc/32/57/90/651325790.db2.gz VQIJKUNZFBKKMJ-PBHICJAKSA-N 2 1 290.407 2.100 20 0 CEADMP COc1cccc(OCC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000879578737 651325792 /nfs/dbraw/zinc/32/57/92/651325792.db2.gz VQIJKUNZFBKKMJ-PBHICJAKSA-N 2 1 290.407 2.100 20 0 CEADMP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579305 651325864 /nfs/dbraw/zinc/32/58/64/651325864.db2.gz ZDYDPCZZUQMNRR-HOCLYGCPSA-N 2 1 298.434 2.142 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579305 651325866 /nfs/dbraw/zinc/32/58/66/651325866.db2.gz ZDYDPCZZUQMNRR-HOCLYGCPSA-N 2 1 298.434 2.142 20 0 CEADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579305 651325867 /nfs/dbraw/zinc/32/58/67/651325867.db2.gz ZDYDPCZZUQMNRR-HOCLYGCPSA-N 2 1 298.434 2.142 20 0 CEADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579305 651325869 /nfs/dbraw/zinc/32/58/69/651325869.db2.gz ZDYDPCZZUQMNRR-HOCLYGCPSA-N 2 1 298.434 2.142 20 0 CEADMP CC(C)C[N@H+](Cc1cnns1)CC1CC[NH+](C)CC1 ZINC000879702973 651341460 /nfs/dbraw/zinc/34/14/60/651341460.db2.gz BNJMRAOYCAFHSF-UHFFFAOYSA-N 2 1 282.457 2.338 20 0 CEADMP C1CCC([N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC000880203873 651400775 /nfs/dbraw/zinc/40/07/75/651400775.db2.gz OKKJJNCHTNOATQ-CQSZACIVSA-N 2 1 252.402 2.162 20 0 CEADMP C1CCC([N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC000880203873 651400776 /nfs/dbraw/zinc/40/07/76/651400776.db2.gz OKKJJNCHTNOATQ-CQSZACIVSA-N 2 1 252.402 2.162 20 0 CEADMP CCC[C@@H](C)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203317 651400805 /nfs/dbraw/zinc/40/08/05/651400805.db2.gz ADLGWSMYONTHGJ-UKRRQHHQSA-N 2 1 254.418 2.408 20 0 CEADMP CCC[C@@H](C)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203317 651400806 /nfs/dbraw/zinc/40/08/06/651400806.db2.gz ADLGWSMYONTHGJ-UKRRQHHQSA-N 2 1 254.418 2.408 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC000880259469 651411591 /nfs/dbraw/zinc/41/15/91/651411591.db2.gz UFKUCHAQFVAEOA-OFQRWUPVSA-N 2 1 275.396 2.017 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCF)CCN1c1cc[nH+]cc1 ZINC000880258957 651411702 /nfs/dbraw/zinc/41/17/02/651411702.db2.gz FHZAFXNQXLXXKV-CYBMUJFWSA-N 2 1 251.349 2.342 20 0 CEADMP COC(C)(C)CC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259900 651412052 /nfs/dbraw/zinc/41/20/52/651412052.db2.gz LCAXLYLFYARXRG-CQSZACIVSA-N 2 1 277.412 2.407 20 0 CEADMP FC[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@@H](CF)C2)C1 ZINC000880298212 651418968 /nfs/dbraw/zinc/41/89/68/651418968.db2.gz ZZNWYXAFOURRJI-KBPBESRZSA-N 2 1 260.372 2.349 20 0 CEADMP FC[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000880299521 651419218 /nfs/dbraw/zinc/41/92/18/651419218.db2.gz IBQQMLSIROEWKI-KRWDZBQOSA-N 2 1 292.398 2.310 20 0 CEADMP FC[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000880299521 651419220 /nfs/dbraw/zinc/41/92/20/651419220.db2.gz IBQQMLSIROEWKI-KRWDZBQOSA-N 2 1 292.398 2.310 20 0 CEADMP CC1([NH+]2CCC2)CC[NH+](CCc2cccnc2)CC1 ZINC000880474838 651447472 /nfs/dbraw/zinc/44/74/72/651447472.db2.gz NWQHEPBLTIXBFJ-UHFFFAOYSA-N 2 1 259.397 2.184 20 0 CEADMP CN(CC[N@@H+](C)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000131421907 652424485 /nfs/dbraw/zinc/42/44/85/652424485.db2.gz XAFPTCMOIWTCRH-UHFFFAOYSA-N 2 1 275.440 2.396 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)O1 ZINC000883430157 652467043 /nfs/dbraw/zinc/46/70/43/652467043.db2.gz ODCMYXOFUIEQSJ-GDBMZVCRSA-N 2 1 266.429 2.410 20 0 CEADMP COCC[NH2+]C1CC[NH+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000883434333 652468847 /nfs/dbraw/zinc/46/88/47/652468847.db2.gz NNVBZPPOYHTZHG-HNNXBMFYSA-N 2 1 284.444 2.035 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883437697 652469708 /nfs/dbraw/zinc/46/97/08/652469708.db2.gz YNXOLYNWAQKFHN-IAGOWNOFSA-N 2 1 292.423 2.075 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000883460664 652477299 /nfs/dbraw/zinc/47/72/99/652477299.db2.gz CRHMVAFLVDJBGK-HNNXBMFYSA-N 2 1 280.437 2.142 20 0 CEADMP CC[N@@H+]1CCCC[C@H]1C(=O)OCCC[NH+]1CCCCC1 ZINC000800171205 652671441 /nfs/dbraw/zinc/67/14/41/652671441.db2.gz AETOMSJVXJAIIL-HNNXBMFYSA-N 2 1 282.428 2.280 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)OCCC[NH+]1CCCCC1 ZINC000800171205 652671448 /nfs/dbraw/zinc/67/14/48/652671448.db2.gz AETOMSJVXJAIIL-HNNXBMFYSA-N 2 1 282.428 2.280 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000884188686 652745985 /nfs/dbraw/zinc/74/59/85/652745985.db2.gz NMILPAGTWGBVCG-ILXRZTDVSA-N 2 1 297.487 2.375 20 0 CEADMP CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001038443944 805702112 /nfs/dbraw/zinc/70/21/12/805702112.db2.gz KAIYAXFWIZOMMR-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001038443944 805702114 /nfs/dbraw/zinc/70/21/14/805702114.db2.gz KAIYAXFWIZOMMR-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001038443944 805702116 /nfs/dbraw/zinc/70/21/16/805702116.db2.gz KAIYAXFWIZOMMR-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@]1([NH3+])CC[N@H+](CCc2ccc(Br)cc2)C1 ZINC001204764391 805753196 /nfs/dbraw/zinc/75/31/96/805753196.db2.gz YWLVFHISXOJJII-CYBMUJFWSA-N 2 1 283.213 2.415 20 0 CEADMP C[C@@]1([NH3+])CC[N@@H+](CCc2ccc(Br)cc2)C1 ZINC001204764391 805753203 /nfs/dbraw/zinc/75/32/03/805753203.db2.gz YWLVFHISXOJJII-CYBMUJFWSA-N 2 1 283.213 2.415 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1CC ZINC001087725907 805781197 /nfs/dbraw/zinc/78/11/97/805781197.db2.gz JRIZCCQXSGDFPY-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1CC ZINC001087725907 805781202 /nfs/dbraw/zinc/78/12/02/805781202.db2.gz JRIZCCQXSGDFPY-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1CC ZINC001087725907 805781209 /nfs/dbraw/zinc/78/12/09/805781209.db2.gz JRIZCCQXSGDFPY-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001271279049 805906570 /nfs/dbraw/zinc/90/65/70/805906570.db2.gz WDBYVRAFALSVJG-LSDHHAIUSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@@H]1C[C@@H]([NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)CCO1 ZINC001168131233 806255263 /nfs/dbraw/zinc/25/52/63/806255263.db2.gz MHMACULFBQYPOP-PBHICJAKSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@H](Cc1ccc(Cl)cc1)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001168155260 806324726 /nfs/dbraw/zinc/32/47/26/806324726.db2.gz QHFGCWIXLPIKOR-BXUZGUMPSA-N 2 1 293.798 2.202 20 0 CEADMP CC[N@@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001029982057 806331003 /nfs/dbraw/zinc/33/10/03/806331003.db2.gz KMROWCKGOBPUOA-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC1CCC([N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)CC1 ZINC001168214817 806415055 /nfs/dbraw/zinc/41/50/55/806415055.db2.gz HBJYTGAKWXVXRO-SJJHQCBESA-N 2 1 279.472 2.275 20 0 CEADMP CCC(CC)C[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203214006 806484969 /nfs/dbraw/zinc/48/49/69/806484969.db2.gz HNTSLTVLKVVXHM-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088622317 806571048 /nfs/dbraw/zinc/57/10/48/806571048.db2.gz QCILNIZBJQFCKV-PMPSAXMXSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088622317 806571054 /nfs/dbraw/zinc/57/10/54/806571054.db2.gz QCILNIZBJQFCKV-PMPSAXMXSA-N 2 1 295.471 2.238 20 0 CEADMP CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088622317 806571061 /nfs/dbraw/zinc/57/10/61/806571061.db2.gz QCILNIZBJQFCKV-PMPSAXMXSA-N 2 1 295.471 2.238 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCc3cnccc3C2)CC1 ZINC001168315941 806650385 /nfs/dbraw/zinc/65/03/85/806650385.db2.gz RTMFDSBNXYEGHI-UHFFFAOYSA-N 2 1 259.397 2.313 20 0 CEADMP Cc1noc([C@H]2CC[N@H+](C3CCC([NH+](C)C)CC3)C2)n1 ZINC001168327556 806656125 /nfs/dbraw/zinc/65/61/25/806656125.db2.gz ONHRPGBAVQVPNS-HSBZDZAISA-N 2 1 278.400 2.040 20 0 CEADMP CN(C1CC1)[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168328269 806658077 /nfs/dbraw/zinc/65/80/77/806658077.db2.gz CECGGLRXJOHPMF-AVVWSFFYSA-N 2 1 265.445 2.028 20 0 CEADMP CC(C)O[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168328208 806658113 /nfs/dbraw/zinc/65/81/13/806658113.db2.gz ZNJBBCSUGNNHIJ-YMAMQOFZSA-N 2 1 254.418 2.359 20 0 CEADMP CO[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC001168329785 806659713 /nfs/dbraw/zinc/65/97/13/806659713.db2.gz IGPILHDXJFPQQR-XSCHDIRWSA-N 2 1 254.418 2.359 20 0 CEADMP Cc1cncc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168351319 806671357 /nfs/dbraw/zinc/67/13/57/806671357.db2.gz QVXMXQATPCCUMW-UHFFFAOYSA-N 2 1 259.397 2.354 20 0 CEADMP O=C1Cc2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)ccc2N1 ZINC001168369205 806912670 /nfs/dbraw/zinc/91/26/70/806912670.db2.gz ZKRVNRFOMWWACX-UHFFFAOYSA-N 2 1 299.418 2.145 20 0 CEADMP c1cn2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)ccc2n1 ZINC001168371597 806954451 /nfs/dbraw/zinc/95/44/51/806954451.db2.gz PFDCJQWQNMBHJA-UHFFFAOYSA-N 2 1 284.407 2.298 20 0 CEADMP CCCOc1ncccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206768162 802361847 /nfs/dbraw/zinc/36/18/47/802361847.db2.gz HZRSLFTWFFDWLJ-KGLIPLIRSA-N 2 1 277.412 2.430 20 0 CEADMP CCCOc1ncccc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206768162 802361858 /nfs/dbraw/zinc/36/18/58/802361858.db2.gz HZRSLFTWFFDWLJ-KGLIPLIRSA-N 2 1 277.412 2.430 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC000692958234 802386074 /nfs/dbraw/zinc/38/60/74/802386074.db2.gz GGESETDRGYCLBO-CZUORRHYSA-N 2 1 280.387 2.181 20 0 CEADMP Cc1cc[nH+]c(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000705346606 802412968 /nfs/dbraw/zinc/41/29/68/802412968.db2.gz SVQYUXMKZMVRNH-GOSISDBHSA-N 2 1 297.402 2.439 20 0 CEADMP Cc1cc[nH+]c(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000705346606 802412975 /nfs/dbraw/zinc/41/29/75/802412975.db2.gz SVQYUXMKZMVRNH-GOSISDBHSA-N 2 1 297.402 2.439 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000705665409 802506379 /nfs/dbraw/zinc/50/63/79/802506379.db2.gz BJUOZGKZEQNXJF-NXWXRZEISA-N 2 1 299.462 2.191 20 0 CEADMP c1ccc(C[N@H+]2C[C@H]3CN(C[C@H]4CCCC[NH2+]4)C[C@H]3C2)cc1 ZINC000705953034 802596076 /nfs/dbraw/zinc/59/60/76/802596076.db2.gz DWEIPFSPOVUZJL-CEXWTWQISA-N 2 1 299.462 2.192 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCO4)C[C@H]2C1 ZINC001204494439 802647828 /nfs/dbraw/zinc/64/78/28/802647828.db2.gz KSOUBMHBXOTICR-IAGOWNOFSA-N 2 1 286.419 2.395 20 0 CEADMP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001266535066 802687068 /nfs/dbraw/zinc/68/70/68/802687068.db2.gz RKCWSGYRAPRERK-SWJNODNISA-N 2 1 293.455 2.018 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)CC(F)(F)F ZINC000710282977 809986154 /nfs/dbraw/zinc/98/61/54/809986154.db2.gz SOEPWMPXTLOKBU-STQMWFEESA-N 2 1 294.361 2.011 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CCC2(CCC2)O1 ZINC000711432934 810070698 /nfs/dbraw/zinc/07/06/98/810070698.db2.gz RSNLKLAXAGCVCV-DKUMPPAJSA-N 2 1 264.413 2.432 20 0 CEADMP c1cn(C2CC2)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000711820481 810098714 /nfs/dbraw/zinc/09/87/14/810098714.db2.gz JJNJNGVPSYPWOB-OAHLLOKOSA-N 2 1 274.412 2.182 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CC[C@H](C(F)(F)F)O1)C2 ZINC000721466249 802834998 /nfs/dbraw/zinc/83/49/98/802834998.db2.gz KVUUSMKDXIUUIJ-LOWDOPEQSA-N 2 1 292.345 2.157 20 0 CEADMP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001266695056 802847305 /nfs/dbraw/zinc/84/73/05/802847305.db2.gz JHPSVXDJENGYTP-LRJREAJHSA-N 2 1 293.455 2.064 20 0 CEADMP CCC/C=C\CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266704099 802851984 /nfs/dbraw/zinc/85/19/84/802851984.db2.gz UZANMPIMSCMCAD-ZJBFNYKTSA-N 2 1 295.471 2.121 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000723616840 802905337 /nfs/dbraw/zinc/90/53/37/802905337.db2.gz XELULQHXJCFQJW-HRCADAONSA-N 2 1 264.413 2.043 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000723647622 802915992 /nfs/dbraw/zinc/91/59/92/802915992.db2.gz RNKBJTAKOUSYCH-ZIAGYGMSSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000723647622 802915997 /nfs/dbraw/zinc/91/59/97/802915997.db2.gz RNKBJTAKOUSYCH-ZIAGYGMSSA-N 2 1 263.385 2.255 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000723664481 802921532 /nfs/dbraw/zinc/92/15/32/802921532.db2.gz OPRXCGSABZIAOQ-FMKPAKJESA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H]1CC[C@H]([NH2+]CCCN(C)c2ccccc2)C[NH2+]1 ZINC000399118417 802951327 /nfs/dbraw/zinc/95/13/27/802951327.db2.gz NRCRAZCPCDZEBS-GJZGRUSLSA-N 2 1 261.413 2.243 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1CC[NH3+] ZINC000723882191 802963198 /nfs/dbraw/zinc/96/31/98/802963198.db2.gz GIDDAAXHQGAMFB-ZYHUDNBSSA-N 2 1 254.324 2.382 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000723888367 802964454 /nfs/dbraw/zinc/96/44/54/802964454.db2.gz ZCSRQFYNUQFTKR-IUODEOHRSA-N 2 1 275.396 2.062 20 0 CEADMP Cc1cnc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cn1 ZINC000693501923 802989198 /nfs/dbraw/zinc/98/91/98/802989198.db2.gz IATQPRYZMVKDTR-IUODEOHRSA-N 2 1 262.401 2.124 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCOC1 ZINC000724015594 803006163 /nfs/dbraw/zinc/00/61/63/803006163.db2.gz XMQLVGYCCZEGAO-XJKSGUPXSA-N 2 1 266.429 2.408 20 0 CEADMP CC/C=C/CC[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001267223892 803249523 /nfs/dbraw/zinc/24/95/23/803249523.db2.gz TVNZNEVQCPNYDA-AATRIKPKSA-N 2 1 295.471 2.123 20 0 CEADMP CCCCC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001267233658 803265054 /nfs/dbraw/zinc/26/50/54/803265054.db2.gz VXKNODYIMLECNT-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001267233658 803265055 /nfs/dbraw/zinc/26/50/55/803265055.db2.gz VXKNODYIMLECNT-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCCCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001267233658 803265058 /nfs/dbraw/zinc/26/50/58/803265058.db2.gz VXKNODYIMLECNT-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP C(CC1SCCS1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000693791927 803318569 /nfs/dbraw/zinc/31/85/69/803318569.db2.gz SOUMSJNBHSBPFM-RYUDHWBXSA-N 2 1 272.483 2.399 20 0 CEADMP C[C@H]([NH2+]CCC1SCCS1)[C@H]1CCCC[NH2+]1 ZINC000693804310 803323180 /nfs/dbraw/zinc/32/31/80/803323180.db2.gz JHKRJWSRVGGNCL-WDEREUQCSA-N 2 1 260.472 2.303 20 0 CEADMP C[C@@]1(C(F)(F)F)C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000712720849 814768038 /nfs/dbraw/zinc/76/80/38/814768038.db2.gz NBKGXWVSNJJSKC-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP C[C@@]1(C(F)(F)F)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000712720849 814768042 /nfs/dbraw/zinc/76/80/42/814768042.db2.gz NBKGXWVSNJJSKC-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP CCC(CC)C[NH2+]CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001267475204 803499534 /nfs/dbraw/zinc/49/95/34/803499534.db2.gz YBVRGASTJXZBEW-GASCZTMLSA-N 2 1 297.487 2.343 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000686007876 803597505 /nfs/dbraw/zinc/59/75/05/803597505.db2.gz LKHJHAUYZDDLNM-DOTOQJQBSA-N 2 1 276.424 2.302 20 0 CEADMP Cc1ccc([C@H](O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000686007876 803597509 /nfs/dbraw/zinc/59/75/09/803597509.db2.gz LKHJHAUYZDDLNM-DOTOQJQBSA-N 2 1 276.424 2.302 20 0 CEADMP Cc1ccc([C@H](O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000686007876 803597513 /nfs/dbraw/zinc/59/75/13/803597513.db2.gz LKHJHAUYZDDLNM-DOTOQJQBSA-N 2 1 276.424 2.302 20 0 CEADMP CO[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCCCC1 ZINC000695071346 803608517 /nfs/dbraw/zinc/60/85/17/803608517.db2.gz LJOWRSVWEZWLKG-KMIMBKNBSA-N 2 1 278.440 2.168 20 0 CEADMP CCC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267617960 803624169 /nfs/dbraw/zinc/62/41/69/803624169.db2.gz VQJLHMFQHPOIQV-MWWKQMNYSA-N 2 1 295.471 2.265 20 0 CEADMP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001267633995 803633718 /nfs/dbraw/zinc/63/37/18/803633718.db2.gz YWYLHUXPVZDYMO-MOEXGYKKSA-N 2 1 295.471 2.265 20 0 CEADMP CC/C=C/CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001267633995 803633722 /nfs/dbraw/zinc/63/37/22/803633722.db2.gz YWYLHUXPVZDYMO-MOEXGYKKSA-N 2 1 295.471 2.265 20 0 CEADMP CC/C=C/CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001267633995 803633725 /nfs/dbraw/zinc/63/37/25/803633725.db2.gz YWYLHUXPVZDYMO-MOEXGYKKSA-N 2 1 295.471 2.265 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CC[C@H](C3CC3)O1)C2 ZINC000715395146 814953396 /nfs/dbraw/zinc/95/33/96/814953396.db2.gz QAFYIIBZIZDMLX-JJXSEGSLSA-N 2 1 264.413 2.005 20 0 CEADMP FC1(F)[C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)C[C@H]21 ZINC000715402925 814954139 /nfs/dbraw/zinc/95/41/39/814954139.db2.gz MGNAJKZXCQYGHA-OKILXGFUSA-N 2 1 264.319 2.029 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H]3CN(C[C@@H]4CC[NH2+]C4)C[C@H]3C2)cc1 ZINC000695371909 803666544 /nfs/dbraw/zinc/66/65/44/803666544.db2.gz HCNSPYHWTVTBAB-CEXWTWQISA-N 2 1 299.462 2.050 20 0 CEADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](C[C@@H]4CC[NH2+]C4)C[C@H]3C2)cc1 ZINC000695371909 803666547 /nfs/dbraw/zinc/66/65/47/803666547.db2.gz HCNSPYHWTVTBAB-CEXWTWQISA-N 3 1 299.462 2.050 20 0 CEADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](C[C@@H]4CC[NH2+]C4)C[C@H]3C2)cc1 ZINC000695371909 803666549 /nfs/dbraw/zinc/66/65/49/803666549.db2.gz HCNSPYHWTVTBAB-CEXWTWQISA-N 3 1 299.462 2.050 20 0 CEADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](C[C@@H]4CC[NH2+]C4)C[C@H]3C2)cc1 ZINC000695371909 803666552 /nfs/dbraw/zinc/66/65/52/803666552.db2.gz HCNSPYHWTVTBAB-CEXWTWQISA-N 3 1 299.462 2.050 20 0 CEADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](C[C@@H]4CC[NH2+]C4)C[C@H]3C2)cc1 ZINC000695371909 803666554 /nfs/dbraw/zinc/66/65/54/803666554.db2.gz HCNSPYHWTVTBAB-CEXWTWQISA-N 3 1 299.462 2.050 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715479162 814959231 /nfs/dbraw/zinc/95/92/31/814959231.db2.gz GFNSQNBMTMLFJT-ATGSNQNLSA-N 2 1 252.402 2.003 20 0 CEADMP CC(C)CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001267848134 803772949 /nfs/dbraw/zinc/77/29/49/803772949.db2.gz FJSULQTYMZHUSM-NVXWUHKLSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715531251 814973020 /nfs/dbraw/zinc/97/30/20/814973020.db2.gz IUERONCQZHHGMI-ZNMIVQPWSA-N 2 1 254.418 2.249 20 0 CEADMP CC(C)[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001026886794 803912354 /nfs/dbraw/zinc/91/23/54/803912354.db2.gz FRVGWRRSBUBGRL-HZPDHXFCSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000299928712 803922970 /nfs/dbraw/zinc/92/29/70/803922970.db2.gz JXCXTJGJXWFDKT-ZFWWWQNUSA-N 2 1 259.397 2.389 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000299928712 803922972 /nfs/dbraw/zinc/92/29/72/803922972.db2.gz JXCXTJGJXWFDKT-ZFWWWQNUSA-N 2 1 259.397 2.389 20 0 CEADMP CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001027475170 804084643 /nfs/dbraw/zinc/08/46/43/804084643.db2.gz NYWQTMIJDSWXQL-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001027475170 804084652 /nfs/dbraw/zinc/08/46/52/804084652.db2.gz NYWQTMIJDSWXQL-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001027475170 804084661 /nfs/dbraw/zinc/08/46/61/804084661.db2.gz NYWQTMIJDSWXQL-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCn1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c2ccccc21 ZINC000125558101 804111094 /nfs/dbraw/zinc/11/10/94/804111094.db2.gz MTQNFKGJEALFEJ-CYBMUJFWSA-N 2 1 272.396 2.227 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001027628433 804162870 /nfs/dbraw/zinc/16/28/70/804162870.db2.gz BERAUOBQDUZCAF-INIZCTEOSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000399266584 804358154 /nfs/dbraw/zinc/35/81/54/804358154.db2.gz RTJBCZWVMITVLS-OPRDCNLKSA-N 2 1 251.201 2.239 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@](C)(O)C1 ZINC001167823921 804379500 /nfs/dbraw/zinc/37/95/00/804379500.db2.gz ALEWVLCLAJLELY-HUUCEWRRSA-N 2 1 256.434 2.344 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H](C1)C2C(=O)OC ZINC001167833340 804410961 /nfs/dbraw/zinc/41/09/61/804410961.db2.gz AOTWKQKEQHNDQL-JZWPEALZSA-N 2 1 296.455 2.238 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC(C)C ZINC001268372481 804638091 /nfs/dbraw/zinc/63/80/91/804638091.db2.gz ZFJGJBJIZNIWJA-HUUCEWRRSA-N 2 1 283.460 2.001 20 0 CEADMP CCCCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001268377442 804639440 /nfs/dbraw/zinc/63/94/40/804639440.db2.gz ARDXRNDFODVRTO-HUUCEWRRSA-N 2 1 283.460 2.145 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204734694 804882559 /nfs/dbraw/zinc/88/25/59/804882559.db2.gz BPISJTITGLHJRD-UHFFFAOYSA-N 3 1 273.424 2.111 20 0 CEADMP C[C@H](C[NH2+]CCCC1CCC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001268650855 804909200 /nfs/dbraw/zinc/90/92/00/804909200.db2.gz BFQGGVGBNWIVRK-GDBMZVCRSA-N 2 1 295.471 2.145 20 0 CEADMP C(C1CC1)[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCOC3)CC1 ZINC001168387298 807042515 /nfs/dbraw/zinc/04/25/15/807042515.db2.gz CGCRJQRYEVCHAH-QGZVFWFLSA-N 2 1 278.440 2.363 20 0 CEADMP CC(C)(O)[C@H]1CCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168387761 807045280 /nfs/dbraw/zinc/04/52/80/807045280.db2.gz SNIHTMPOYXOHPE-OAHLLOKOSA-N 2 1 266.429 2.096 20 0 CEADMP CC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001269297214 805117672 /nfs/dbraw/zinc/11/76/72/805117672.db2.gz VSMSNZDCTGXICO-WAVCKPEOSA-N 2 1 295.471 2.216 20 0 CEADMP CC/C=C/CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001269297214 805117676 /nfs/dbraw/zinc/11/76/76/805117676.db2.gz VSMSNZDCTGXICO-WAVCKPEOSA-N 2 1 295.471 2.216 20 0 CEADMP CC/C=C/CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001269297214 805117680 /nfs/dbraw/zinc/11/76/80/805117680.db2.gz VSMSNZDCTGXICO-WAVCKPEOSA-N 2 1 295.471 2.216 20 0 CEADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[NH2+]CC=C(C)C ZINC001269401695 805154543 /nfs/dbraw/zinc/15/45/43/805154543.db2.gz DXBAFOZSTCHTBQ-HOTGVXAUSA-N 2 1 295.471 2.310 20 0 CEADMP NCC[N@@H+](Cc1ccccc1)[C@H]1CCCC2(C1)OCCO2 ZINC000712807280 805440705 /nfs/dbraw/zinc/44/07/05/805440705.db2.gz VJJXODDQCMFMLP-INIZCTEOSA-N 2 1 290.407 2.133 20 0 CEADMP CC[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167974888 805505365 /nfs/dbraw/zinc/50/53/65/805505365.db2.gz DFDPKSZFJPMKPS-MGNMYUMUSA-N 2 1 277.456 2.076 20 0 CEADMP CC[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167974888 805505370 /nfs/dbraw/zinc/50/53/70/805505370.db2.gz DFDPKSZFJPMKPS-MGNMYUMUSA-N 2 1 277.456 2.076 20 0 CEADMP CC[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167974888 805505377 /nfs/dbraw/zinc/50/53/77/805505377.db2.gz DFDPKSZFJPMKPS-MGNMYUMUSA-N 2 1 277.456 2.076 20 0 CEADMP CCN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167974888 805505382 /nfs/dbraw/zinc/50/53/82/805505382.db2.gz DFDPKSZFJPMKPS-MGNMYUMUSA-N 2 1 277.456 2.076 20 0 CEADMP CCN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167974888 805505387 /nfs/dbraw/zinc/50/53/87/805505387.db2.gz DFDPKSZFJPMKPS-MGNMYUMUSA-N 2 1 277.456 2.076 20 0 CEADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCC[C@H]1O ZINC001167982867 805517474 /nfs/dbraw/zinc/51/74/74/805517474.db2.gz CXXCRBOSEBAPDA-WUOJDRAKSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC[C@H]1O ZINC001167982867 805517478 /nfs/dbraw/zinc/51/74/78/805517478.db2.gz CXXCRBOSEBAPDA-WUOJDRAKSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC[C@H]1O ZINC001167982867 805517486 /nfs/dbraw/zinc/51/74/86/805517486.db2.gz CXXCRBOSEBAPDA-WUOJDRAKSA-N 2 1 292.467 2.485 20 0 CEADMP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001029112227 805543497 /nfs/dbraw/zinc/54/34/97/805543497.db2.gz YEVDHAFGKFXHEG-HOCLYGCPSA-N 2 1 295.471 2.096 20 0 CEADMP COc1ccc(CC[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000227768329 807181789 /nfs/dbraw/zinc/18/17/89/807181789.db2.gz PMSCBVZFXAATKB-ZFWWWQNUSA-N 2 1 262.397 2.154 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)[C@@H]1C ZINC001089061047 807325235 /nfs/dbraw/zinc/32/52/35/807325235.db2.gz VBBYHGGRRZVCAM-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(C)C)[C@@H]1C ZINC001089061047 807325244 /nfs/dbraw/zinc/32/52/44/807325244.db2.gz VBBYHGGRRZVCAM-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(C)C)[C@@H]1C ZINC001089061047 807325253 /nfs/dbraw/zinc/32/52/53/807325253.db2.gz VBBYHGGRRZVCAM-PMPSAXMXSA-N 2 1 295.471 2.096 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716300944 815111591 /nfs/dbraw/zinc/11/15/91/815111591.db2.gz JOTMBOUUJMPXOD-KGLIPLIRSA-N 2 1 252.402 2.006 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCC2(CCC2)CO1 ZINC000716299582 815111603 /nfs/dbraw/zinc/11/16/03/815111603.db2.gz BIWJEEVDWCVWAT-RDBSUJKOSA-N 2 1 252.402 2.147 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256876 807536765 /nfs/dbraw/zinc/53/67/65/807536765.db2.gz SWRAPJAPTJTKLV-HZPDHXFCSA-N 2 1 295.471 2.003 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])C(C)C ZINC000721970960 807555114 /nfs/dbraw/zinc/55/51/14/807555114.db2.gz DEOHWQNBEGMISV-QLFBSQMISA-N 2 1 256.434 2.354 20 0 CEADMP CC(C)CC[NH+]1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001031049296 807620775 /nfs/dbraw/zinc/62/07/75/807620775.db2.gz AMBZSNAFXQHKBI-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+](C)CCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716726937 815144552 /nfs/dbraw/zinc/14/45/52/815144552.db2.gz GLXUASHYMAJKIO-KSZLIROESA-N 2 1 287.451 2.191 20 0 CEADMP CN(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716726937 815144555 /nfs/dbraw/zinc/14/45/55/815144555.db2.gz GLXUASHYMAJKIO-KSZLIROESA-N 2 1 287.451 2.191 20 0 CEADMP CN(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716726937 815144558 /nfs/dbraw/zinc/14/45/58/815144558.db2.gz GLXUASHYMAJKIO-KSZLIROESA-N 2 1 287.451 2.191 20 0 CEADMP CC1=CC[C@H](CC[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1(C)C ZINC001235051922 807763600 /nfs/dbraw/zinc/76/36/00/807763600.db2.gz CESAEFJFGPNZMQ-WBVHZDCISA-N 2 1 277.456 2.006 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCC(C)C)[C@H](C)C1 ZINC001106839210 807887679 /nfs/dbraw/zinc/88/76/79/807887679.db2.gz AVHTUXMLUPEQHL-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP [NH3+][C@]12CC[C@H]1C[N@H+](CCc1ccc(Cl)cc1)C2 ZINC001235977985 807903483 /nfs/dbraw/zinc/90/34/83/807903483.db2.gz ICVSJBRNTRABEI-JSGCOSHPSA-N 2 1 250.773 2.306 20 0 CEADMP [NH3+][C@]12CC[C@H]1C[N@@H+](CCc1ccc(Cl)cc1)C2 ZINC001235977985 807903488 /nfs/dbraw/zinc/90/34/88/807903488.db2.gz ICVSJBRNTRABEI-JSGCOSHPSA-N 2 1 250.773 2.306 20 0 CEADMP Fc1c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccnc1Cl ZINC001236321112 808069287 /nfs/dbraw/zinc/06/92/87/808069287.db2.gz WIWXNKBVKPNPQK-PHIMTYICSA-N 2 1 283.778 2.306 20 0 CEADMP CCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010733 815186908 /nfs/dbraw/zinc/18/69/08/815186908.db2.gz WAUFDZAPQGHKSB-HNNXBMFYSA-N 2 1 295.471 2.147 20 0 CEADMP C([C@@H]1CCSC1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC000257723441 815202126 /nfs/dbraw/zinc/20/21/26/815202126.db2.gz PZOXBKIRVKOIEL-ZDUSSCGKSA-N 2 1 254.443 2.205 20 0 CEADMP CC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120188671 815203447 /nfs/dbraw/zinc/20/34/47/815203447.db2.gz AWMJUQOUXBLCOB-GASCZTMLSA-N 2 1 295.471 2.288 20 0 CEADMP C[C@@H]1C[C@@H](n2cc(CC[NH3+])cn2)C[N@H+]1Cc1ccccc1 ZINC001171728499 815219695 /nfs/dbraw/zinc/21/96/95/815219695.db2.gz ONIPZTJZVGBKHC-RHSMWYFYSA-N 2 1 284.407 2.220 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[NH+]2CC)C1 ZINC001120449529 815223533 /nfs/dbraw/zinc/22/35/33/815223533.db2.gz NSZCKPCUOGZQOV-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC)C1 ZINC001120449529 815223537 /nfs/dbraw/zinc/22/35/37/815223537.db2.gz NSZCKPCUOGZQOV-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC)C1 ZINC001120449529 815223541 /nfs/dbraw/zinc/22/35/41/815223541.db2.gz NSZCKPCUOGZQOV-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCCN(CC[NH+](CC)CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000355821579 808650205 /nfs/dbraw/zinc/65/02/05/808650205.db2.gz RPPFQQYXFYSBON-HOTGVXAUSA-N 2 1 297.487 2.297 20 0 CEADMP COc1ccc([C@H]2C[C@H]([NH2+]C(C)(C)C[NH3+])CCO2)cc1 ZINC001168583133 808668623 /nfs/dbraw/zinc/66/86/23/808668623.db2.gz INEZZUUMHAPMBK-UKRRQHHQSA-N 2 1 278.396 2.242 20 0 CEADMP C[C@@H]1C[C@H](N2CC[NH+]3CCC2CC3)C[N@H+]1Cc1ccccc1 ZINC001171760297 815226713 /nfs/dbraw/zinc/22/67/13/815226713.db2.gz SYDFNFPIPSUWQT-APWZRJJASA-N 2 1 299.462 2.429 20 0 CEADMP C[C@H]1C[C@@H](N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171759963 815227481 /nfs/dbraw/zinc/22/74/81/815227481.db2.gz OVOUCEQOVWXGJS-GDAAHCPNSA-N 2 1 299.462 2.143 20 0 CEADMP C[C@H]1C[C@@H](N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171759963 815227486 /nfs/dbraw/zinc/22/74/86/815227486.db2.gz OVOUCEQOVWXGJS-GDAAHCPNSA-N 2 1 299.462 2.143 20 0 CEADMP C[C@H]1C[C@@H](N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171759963 815227490 /nfs/dbraw/zinc/22/74/90/815227490.db2.gz OVOUCEQOVWXGJS-GDAAHCPNSA-N 2 1 299.462 2.143 20 0 CEADMP C[C@H]1C[C@@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171759963 815227495 /nfs/dbraw/zinc/22/74/95/815227495.db2.gz OVOUCEQOVWXGJS-GDAAHCPNSA-N 2 1 299.462 2.143 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171759963 815227498 /nfs/dbraw/zinc/22/74/98/815227498.db2.gz OVOUCEQOVWXGJS-GDAAHCPNSA-N 2 1 299.462 2.143 20 0 CEADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171759963 815227501 /nfs/dbraw/zinc/22/75/01/815227501.db2.gz OVOUCEQOVWXGJS-GDAAHCPNSA-N 2 1 299.462 2.143 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CC1CCC1 ZINC001168606069 808700748 /nfs/dbraw/zinc/70/07/48/808700748.db2.gz BGALAMGWLHYRCY-UHFFFAOYSA-N 2 1 297.487 2.395 20 0 CEADMP C[C@H](CC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)[NH+](C)C ZINC001120583820 815241488 /nfs/dbraw/zinc/24/14/88/815241488.db2.gz YSMBERWWFRZUSF-YGRLFVJLSA-N 2 1 288.794 2.442 20 0 CEADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963526 815253360 /nfs/dbraw/zinc/25/33/60/815253360.db2.gz HVEIOHIPAAAAPR-GOEBONIOSA-N 2 1 276.424 2.400 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001016334907 809011994 /nfs/dbraw/zinc/01/19/94/809011994.db2.gz XSCDCEVMENKWJN-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001016334907 809012001 /nfs/dbraw/zinc/01/20/01/809012001.db2.gz XSCDCEVMENKWJN-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001016334907 809012009 /nfs/dbraw/zinc/01/20/09/809012009.db2.gz XSCDCEVMENKWJN-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000453229047 809043543 /nfs/dbraw/zinc/04/35/43/809043543.db2.gz PETSQKNZARJYGH-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000453229047 809043550 /nfs/dbraw/zinc/04/35/50/809043550.db2.gz PETSQKNZARJYGH-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001032958876 809127952 /nfs/dbraw/zinc/12/79/52/809127952.db2.gz BWNRSIFUDQJKGL-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001032958876 809127954 /nfs/dbraw/zinc/12/79/54/809127954.db2.gz BWNRSIFUDQJKGL-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001032958876 809127956 /nfs/dbraw/zinc/12/79/56/809127956.db2.gz BWNRSIFUDQJKGL-GJZGRUSLSA-N 2 1 295.471 2.050 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C[C@H](O)CF)CC[N@H+]1Cc1ccccc1 ZINC001171978038 815265841 /nfs/dbraw/zinc/26/58/41/815265841.db2.gz INFPTYPXZNEOFN-JKSUJKDBSA-N 2 1 294.414 2.350 20 0 CEADMP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC001033146532 809200454 /nfs/dbraw/zinc/20/04/54/809200454.db2.gz PWGHANYYGWZZTO-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033146532 809200459 /nfs/dbraw/zinc/20/04/59/809200459.db2.gz PWGHANYYGWZZTO-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033146532 809200461 /nfs/dbraw/zinc/20/04/61/809200461.db2.gz PWGHANYYGWZZTO-HOTGVXAUSA-N 2 1 295.471 2.190 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](CCc2c(F)cccc2F)CC[C@H]1F ZINC001206156893 815281426 /nfs/dbraw/zinc/28/14/26/815281426.db2.gz TXENSEFQEQEDQZ-ZIAGYGMSSA-N 2 1 272.314 2.269 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](CCc2c(F)cccc2F)CC[C@H]1F ZINC001206156893 815281428 /nfs/dbraw/zinc/28/14/28/815281428.db2.gz TXENSEFQEQEDQZ-ZIAGYGMSSA-N 2 1 272.314 2.269 20 0 CEADMP CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C12CCC2 ZINC000700790890 809348296 /nfs/dbraw/zinc/34/82/96/809348296.db2.gz HGZYLLYRENMPCY-RRFJBIMHSA-N 2 1 266.429 2.266 20 0 CEADMP CC[C@@]12C[C@@H](CO1)[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172127016 815286545 /nfs/dbraw/zinc/28/65/45/815286545.db2.gz FMXWCRLSXAQSTF-OTJKEOIZSA-N 2 1 264.413 2.255 20 0 CEADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172127016 815286549 /nfs/dbraw/zinc/28/65/49/815286549.db2.gz FMXWCRLSXAQSTF-OTJKEOIZSA-N 2 1 264.413 2.255 20 0 CEADMP CC[C@@]12C[C@@H](CO1)[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172127016 815286554 /nfs/dbraw/zinc/28/65/54/815286554.db2.gz FMXWCRLSXAQSTF-OTJKEOIZSA-N 2 1 264.413 2.255 20 0 CEADMP Cc1noc([C@@H]2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172127396 815287884 /nfs/dbraw/zinc/28/78/84/815287884.db2.gz JBGAVCRDOSUOBJ-KBXIAJHMSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1noc([C@@H]2CC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172127396 815287887 /nfs/dbraw/zinc/28/78/87/815287887.db2.gz JBGAVCRDOSUOBJ-KBXIAJHMSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1noc([C@@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)n1 ZINC001172127396 815287891 /nfs/dbraw/zinc/28/78/91/815287891.db2.gz JBGAVCRDOSUOBJ-KBXIAJHMSA-N 2 1 290.411 2.183 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOC(F)(F)F)C2 ZINC001172104193 815294080 /nfs/dbraw/zinc/29/40/80/815294080.db2.gz DKXWTQFPVMJMQC-JGPRNRPPSA-N 2 1 266.307 2.128 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C2 ZINC001172102922 815294127 /nfs/dbraw/zinc/29/41/27/815294127.db2.gz QQWZGFCHXIRVIA-LUKYLMHMSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+]1CCC[C@@H](CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172102922 815294129 /nfs/dbraw/zinc/29/41/29/815294129.db2.gz QQWZGFCHXIRVIA-LUKYLMHMSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+]1CCC[C@@H](CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172102922 815294132 /nfs/dbraw/zinc/29/41/32/815294132.db2.gz QQWZGFCHXIRVIA-LUKYLMHMSA-N 3 1 279.472 2.323 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C2 ZINC001172102922 815294134 /nfs/dbraw/zinc/29/41/34/815294134.db2.gz QQWZGFCHXIRVIA-LUKYLMHMSA-N 2 1 279.472 2.323 20 0 CEADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001172102922 815294137 /nfs/dbraw/zinc/29/41/37/815294137.db2.gz QQWZGFCHXIRVIA-LUKYLMHMSA-N 2 1 279.472 2.323 20 0 CEADMP CCCC[N@@H+](C)CCN[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172102147 815294789 /nfs/dbraw/zinc/29/47/89/815294789.db2.gz KGSNESFLUIQINJ-MUJYYYPQSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172102147 815294795 /nfs/dbraw/zinc/29/47/95/815294795.db2.gz KGSNESFLUIQINJ-MUJYYYPQSA-N 2 1 267.461 2.323 20 0 CEADMP CCCC[NH+](C)CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172102147 815294797 /nfs/dbraw/zinc/29/47/97/815294797.db2.gz KGSNESFLUIQINJ-MUJYYYPQSA-N 2 1 267.461 2.323 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCCOC1)C2 ZINC001172103902 815294831 /nfs/dbraw/zinc/29/48/31/815294831.db2.gz XWILDYOJYRSWPK-APIJFGDWSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)OCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105447 815296342 /nfs/dbraw/zinc/29/63/42/815296342.db2.gz IHQQTNOBVCHKMM-QKDCVEJESA-N 2 1 254.418 2.406 20 0 CEADMP CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034203914 809548279 /nfs/dbraw/zinc/54/82/79/809548279.db2.gz IPBGGRBRAFWBIS-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034203914 809548285 /nfs/dbraw/zinc/54/82/85/809548285.db2.gz IPBGGRBRAFWBIS-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034203914 809548289 /nfs/dbraw/zinc/54/82/89/809548289.db2.gz IPBGGRBRAFWBIS-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N[C@]1(C)CCC[N@H+](C)C1)C2 ZINC001172108678 815298109 /nfs/dbraw/zinc/29/81/09/815298109.db2.gz CXDOVTPNJANJQJ-LVQVYYBASA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCC[C@@](C)(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172108678 815298113 /nfs/dbraw/zinc/29/81/13/815298113.db2.gz CXDOVTPNJANJQJ-LVQVYYBASA-N 2 1 265.445 2.076 20 0 CEADMP C[NH+]1CCC[C@@](C)(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172108678 815298116 /nfs/dbraw/zinc/29/81/16/815298116.db2.gz CXDOVTPNJANJQJ-LVQVYYBASA-N 2 1 265.445 2.076 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@]1(C)CCOC1)C2 ZINC001172109477 815298452 /nfs/dbraw/zinc/29/84/52/815298452.db2.gz HALAIYAAMGHPBA-XQLPTFJDSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001034270559 809567140 /nfs/dbraw/zinc/56/71/40/809567140.db2.gz IBSRDVDQEMJAFH-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034270559 809567147 /nfs/dbraw/zinc/56/71/47/809567147.db2.gz IBSRDVDQEMJAFH-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034270559 809567154 /nfs/dbraw/zinc/56/71/54/809567154.db2.gz IBSRDVDQEMJAFH-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034270559 809567161 /nfs/dbraw/zinc/56/71/61/809567161.db2.gz IBSRDVDQEMJAFH-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034270559 809567164 /nfs/dbraw/zinc/56/71/64/809567164.db2.gz IBSRDVDQEMJAFH-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[C@]1(C)O ZINC001172116070 815307199 /nfs/dbraw/zinc/30/71/99/815307199.db2.gz AUPMIVOWXIGGPQ-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@]1(C)O ZINC001172116070 815307181 /nfs/dbraw/zinc/30/71/81/815307181.db2.gz AUPMIVOWXIGGPQ-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCc3nccnc31)C2 ZINC001172115129 815303526 /nfs/dbraw/zinc/30/35/26/815303526.db2.gz QYQGWACDNKRAGT-FQLMCAECSA-N 2 1 286.423 2.459 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCc3nccnc31)C2 ZINC001172115129 815303531 /nfs/dbraw/zinc/30/35/31/815303531.db2.gz QYQGWACDNKRAGT-FQLMCAECSA-N 2 1 286.423 2.459 20 0 CEADMP C[N@H+]1C[C@@H]2CC[C@@H](Nc3cc[nH+]c4ccccc34)[C@H]2C1 ZINC001121008811 815304716 /nfs/dbraw/zinc/30/47/16/815304716.db2.gz SJOHAIDCDXHMKM-DUVNUKRYSA-N 2 1 267.376 2.409 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[C@]1(C)O ZINC001172116070 815307187 /nfs/dbraw/zinc/30/71/87/815307187.db2.gz AUPMIVOWXIGGPQ-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP C[N@H+]([C@H]1CC[C@H](O)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172117412 815305076 /nfs/dbraw/zinc/30/50/76/815305076.db2.gz GTXYQXIULRNUEN-PWFLSRTFSA-N 2 1 266.429 2.237 20 0 CEADMP C[N@@H+]([C@H]1CC[C@H](O)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172117412 815305082 /nfs/dbraw/zinc/30/50/82/815305082.db2.gz GTXYQXIULRNUEN-PWFLSRTFSA-N 2 1 266.429 2.237 20 0 CEADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172117412 815305085 /nfs/dbraw/zinc/30/50/85/815305085.db2.gz GTXYQXIULRNUEN-PWFLSRTFSA-N 2 1 266.429 2.237 20 0 CEADMP C[NH+]([C@H]1CC[C@H](O)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172117412 815305091 /nfs/dbraw/zinc/30/50/91/815305091.db2.gz GTXYQXIULRNUEN-PWFLSRTFSA-N 2 1 266.429 2.237 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[C@]1(C)O ZINC001172116070 815307193 /nfs/dbraw/zinc/30/71/93/815307193.db2.gz AUPMIVOWXIGGPQ-LJIZCISZSA-N 2 1 266.429 2.095 20 0 CEADMP Cc1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(C)s1 ZINC000703577650 809666826 /nfs/dbraw/zinc/66/68/26/809666826.db2.gz WLLKNFLCKHAQQI-UONOGXRCSA-N 2 1 250.411 2.406 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(CC[NH3+])CC1)C2 ZINC001172119272 815308686 /nfs/dbraw/zinc/30/86/86/815308686.db2.gz XSCLIEZBKWGPJY-BOXKHOIUSA-N 3 1 279.472 2.499 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(CC[NH3+])CC1)C2 ZINC001172119272 815308691 /nfs/dbraw/zinc/30/86/91/815308691.db2.gz XSCLIEZBKWGPJY-BOXKHOIUSA-N 3 1 279.472 2.499 20 0 CEADMP C[C@H]1CSCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703815783 809693828 /nfs/dbraw/zinc/69/38/28/809693828.db2.gz FKJFIIMULKXTCH-RLAWYHOSSA-N 2 1 254.443 2.202 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@](O)(C(F)(F)F)C1)C2 ZINC001172120433 815310050 /nfs/dbraw/zinc/31/00/50/815310050.db2.gz KUOSHMDXBVRLRQ-LOWDOPEQSA-N 2 1 292.345 2.001 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@](O)(C(F)(F)F)C1)C2 ZINC001172120433 815310053 /nfs/dbraw/zinc/31/00/53/815310053.db2.gz KUOSHMDXBVRLRQ-LOWDOPEQSA-N 2 1 292.345 2.001 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@](O)(C(F)(F)F)C1)C2 ZINC001172120433 815310059 /nfs/dbraw/zinc/31/00/59/815310059.db2.gz KUOSHMDXBVRLRQ-LOWDOPEQSA-N 2 1 292.345 2.001 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCOC[C@H]1C1CC1)C2 ZINC001172122386 815311349 /nfs/dbraw/zinc/31/13/49/815311349.db2.gz AJPLNWRKDCQODL-JJXSEGSLSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCOC[C@H]1C1CC1)C2 ZINC001172122386 815311354 /nfs/dbraw/zinc/31/13/54/815311354.db2.gz AJPLNWRKDCQODL-JJXSEGSLSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCOC[C@H]1C1CC1)C2 ZINC001172122386 815311360 /nfs/dbraw/zinc/31/13/60/815311360.db2.gz AJPLNWRKDCQODL-JJXSEGSLSA-N 2 1 264.413 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@H]([NH+]3CCCC3)C1)C2 ZINC001172121382 815312034 /nfs/dbraw/zinc/31/20/34/815312034.db2.gz FHVQJGYKFXBJTB-VVLHAWIVSA-N 2 1 277.456 2.172 20 0 CEADMP C[C@@H](O)C[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705928822 809792786 /nfs/dbraw/zinc/79/27/86/809792786.db2.gz UWNDWERYLADUED-KBAYOESNSA-N 2 1 288.435 2.211 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCS1 ZINC000707337165 809896326 /nfs/dbraw/zinc/89/63/26/809896326.db2.gz HXZZQHHLPKTCQT-KBPBESRZSA-N 2 1 256.459 2.450 20 0 CEADMP C[NH+](C)C1(C)CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000709797082 809970339 /nfs/dbraw/zinc/97/03/39/809970339.db2.gz OEOSLAQTRIQKBL-OAHLLOKOSA-N 2 1 262.397 2.136 20 0 CEADMP C[C@H](C1CCC1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000710263016 809985064 /nfs/dbraw/zinc/98/50/64/809985064.db2.gz LZWJDMOERDKUPU-SECBINFHSA-N 2 1 251.399 2.149 20 0 CEADMP COC1(OC)CC[C@@H]1[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000710981657 810008612 /nfs/dbraw/zinc/00/86/12/810008612.db2.gz YEAQFLRWGOXUJT-HNNXBMFYSA-N 2 1 284.444 2.382 20 0 CEADMP COC1(OC)CC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000710981657 810008617 /nfs/dbraw/zinc/00/86/17/810008617.db2.gz YEAQFLRWGOXUJT-HNNXBMFYSA-N 2 1 284.444 2.382 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CCC3)O2)CC[N@H+]1C ZINC000711496330 810079245 /nfs/dbraw/zinc/07/92/45/810079245.db2.gz QUBZVDINQKZIPP-HZSPNIEDSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172231892 815344396 /nfs/dbraw/zinc/34/43/96/815344396.db2.gz CFONSRAMRGYUFB-WZYMTQMTSA-N 2 1 264.413 2.327 20 0 CEADMP Cc1cccc(N(C2CC[NH2+]CC2)C2C[C@@H]3C=C[C@H](C2)O3)[nH+]1 ZINC001172242666 815355614 /nfs/dbraw/zinc/35/56/14/815355614.db2.gz BTYHXOKHELLLPR-ALOPSCKCSA-N 2 1 299.418 2.434 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1OC ZINC001206163796 815358074 /nfs/dbraw/zinc/35/80/74/815358074.db2.gz GANCOBIHFZPPRS-KBPBESRZSA-N 2 1 296.386 2.355 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1OC ZINC001206163796 815358080 /nfs/dbraw/zinc/35/80/80/815358080.db2.gz GANCOBIHFZPPRS-KBPBESRZSA-N 2 1 296.386 2.355 20 0 CEADMP COCCCN1CCC([NH+]2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172254588 815360260 /nfs/dbraw/zinc/36/02/60/815360260.db2.gz RRUIPUZAVCQIRU-UHFFFAOYSA-N 2 1 298.471 2.377 20 0 CEADMP COCCC[NH+]1CCC([NH+]2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172254588 815360266 /nfs/dbraw/zinc/36/02/66/815360266.db2.gz RRUIPUZAVCQIRU-UHFFFAOYSA-N 2 1 298.471 2.377 20 0 CEADMP [NH3+][C@H]1CCN(c2cc[nH+]c(C3(C(F)(F)F)CC3)c2)C1 ZINC001164286093 810340504 /nfs/dbraw/zinc/34/05/04/810340504.db2.gz FGCTUWDCKORVAE-VIFPVBQESA-N 2 1 271.286 2.213 20 0 CEADMP CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001231225198 810609419 /nfs/dbraw/zinc/60/94/19/810609419.db2.gz BBNRBAWKELUZBJ-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001231225200 810609683 /nfs/dbraw/zinc/60/96/83/810609683.db2.gz BBNRBAWKELUZBJ-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC)C1 ZINC001019632291 810725892 /nfs/dbraw/zinc/72/58/92/810725892.db2.gz HIATWKQUULDVEE-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOC(C)(C)C2)CCC[C@@H]1C[NH3+] ZINC001205985656 810731311 /nfs/dbraw/zinc/73/13/11/810731311.db2.gz ZGJMKPIXXCTMBB-RBSFLKMASA-N 2 1 268.445 2.498 20 0 CEADMP CCC[N@@H+](CC)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154894611 810765901 /nfs/dbraw/zinc/76/59/01/810765901.db2.gz VSYZTUNDCYBKAL-CYBMUJFWSA-N 2 1 295.427 2.191 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001085519270 810805612 /nfs/dbraw/zinc/80/56/12/810805612.db2.gz LNJNVVKCVCMBBK-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001085519270 810805621 /nfs/dbraw/zinc/80/56/21/810805621.db2.gz LNJNVVKCVCMBBK-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001085519270 810805629 /nfs/dbraw/zinc/80/56/29/810805629.db2.gz LNJNVVKCVCMBBK-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001038238017 810812989 /nfs/dbraw/zinc/81/29/89/810812989.db2.gz DTQMCUCARBMQCZ-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001038238017 810812996 /nfs/dbraw/zinc/81/29/96/810812996.db2.gz DTQMCUCARBMQCZ-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001085594936 810845305 /nfs/dbraw/zinc/84/53/05/810845305.db2.gz SSKJTLABJXZKLE-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085594936 810845315 /nfs/dbraw/zinc/84/53/15/810845315.db2.gz SSKJTLABJXZKLE-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085594936 810845322 /nfs/dbraw/zinc/84/53/22/810845322.db2.gz SSKJTLABJXZKLE-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP Cc1nc(N[C@@H]2CCC[C@H]([NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC001154977512 810871847 /nfs/dbraw/zinc/87/18/47/810871847.db2.gz NYEFHQPIXFDVMS-QWHCGFSZSA-N 2 1 275.400 2.067 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1C(C)C ZINC001085688101 810877629 /nfs/dbraw/zinc/87/76/29/810877629.db2.gz BDVXKJJZQZCALS-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1C(C)C ZINC001085688101 810877633 /nfs/dbraw/zinc/87/76/33/810877633.db2.gz BDVXKJJZQZCALS-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1C(C)C ZINC001085688101 810877640 /nfs/dbraw/zinc/87/76/40/810877640.db2.gz BDVXKJJZQZCALS-HZPDHXFCSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)COCC[C@H](C)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172468564 815428315 /nfs/dbraw/zinc/42/83/15/815428315.db2.gz OWQKBKKABAZOIS-JYJNAYRXSA-N 2 1 298.471 2.408 20 0 CEADMP C[C@@H]1CN(Cc2ncc(C(F)(F)F)[nH]2)CCC[C@H]1C[NH3+] ZINC001205993163 811251458 /nfs/dbraw/zinc/25/14/58/811251458.db2.gz HKPKFINPSFEHEX-ZJUUUORDSA-N 2 1 290.333 2.235 20 0 CEADMP C[C@H]1C[N@@H+](Cc2nc3ccccc3[nH]2)CCC[C@@H]1C[NH3+] ZINC001205996093 811306874 /nfs/dbraw/zinc/30/68/74/811306874.db2.gz UQUKFHQKKWQNTK-QWHCGFSZSA-N 2 1 272.396 2.370 20 0 CEADMP CCOC(CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OCC ZINC001169094980 811367540 /nfs/dbraw/zinc/36/75/40/811367540.db2.gz OJAKALKCCQZMJB-QKDCVEJESA-N 2 1 284.444 2.381 20 0 CEADMP CSCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)O ZINC001169098421 811369069 /nfs/dbraw/zinc/36/90/69/811369069.db2.gz HXQSMZPHHUCFLP-XJFOESAGSA-N 2 1 286.485 2.094 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)C2 ZINC001169116487 811382607 /nfs/dbraw/zinc/38/26/07/811382607.db2.gz QQIYKYPNNMLBQI-TUVASFSCSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3oc(=O)[nH]c3c1)C2 ZINC001169125357 811391483 /nfs/dbraw/zinc/39/14/83/811391483.db2.gz ZRTUFYUXHKGGMS-CLLJXQQHSA-N 2 1 287.363 2.248 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3oc(=O)[nH]c3c1)C2 ZINC001169125357 811391493 /nfs/dbraw/zinc/39/14/93/811391493.db2.gz ZRTUFYUXHKGGMS-CLLJXQQHSA-N 2 1 287.363 2.248 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3oc(=O)[nH]c3c1)C2 ZINC001169125358 811391778 /nfs/dbraw/zinc/39/17/78/811391778.db2.gz ZRTUFYUXHKGGMS-XYYAHUGASA-N 2 1 287.363 2.248 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3oc(=O)[nH]c3c1)C2 ZINC001169125358 811391782 /nfs/dbraw/zinc/39/17/82/811391782.db2.gz ZRTUFYUXHKGGMS-XYYAHUGASA-N 2 1 287.363 2.248 20 0 CEADMP CO[C@H]1CCC[C@@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001169136877 811401126 /nfs/dbraw/zinc/40/11/26/811401126.db2.gz BGIMFMZNAPCESK-JHMPBIJASA-N 2 1 278.440 2.359 20 0 CEADMP CO[C@H]1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C[C@@H]21 ZINC001169136877 811401132 /nfs/dbraw/zinc/40/11/32/811401132.db2.gz BGIMFMZNAPCESK-JHMPBIJASA-N 2 1 278.440 2.359 20 0 CEADMP CO[C@H]1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C[C@@H]21 ZINC001169136877 811401138 /nfs/dbraw/zinc/40/11/38/811401138.db2.gz BGIMFMZNAPCESK-JHMPBIJASA-N 2 1 278.440 2.359 20 0 CEADMP CO[C@H]1CCC[C@@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001169136879 811401509 /nfs/dbraw/zinc/40/15/09/811401509.db2.gz BGIMFMZNAPCESK-XDKXFUCDSA-N 2 1 278.440 2.359 20 0 CEADMP CO[C@H]1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C[C@@H]21 ZINC001169136879 811401513 /nfs/dbraw/zinc/40/15/13/811401513.db2.gz BGIMFMZNAPCESK-XDKXFUCDSA-N 2 1 278.440 2.359 20 0 CEADMP CO[C@H]1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C[C@@H]21 ZINC001169136879 811401518 /nfs/dbraw/zinc/40/15/18/811401518.db2.gz BGIMFMZNAPCESK-XDKXFUCDSA-N 2 1 278.440 2.359 20 0 CEADMP CC(C)OCC[C@@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001172458368 815445119 /nfs/dbraw/zinc/44/51/19/815445119.db2.gz CZVMCJALXUWDMV-CQSZACIVSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)C2 ZINC001169108907 811404252 /nfs/dbraw/zinc/40/42/52/811404252.db2.gz VXWYYUOXXBJIQA-OKYOBFRVSA-N 2 1 299.462 2.476 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1CC[NH+](CC3CCC3)CC1)C2 ZINC001169113874 811405706 /nfs/dbraw/zinc/40/57/06/811405706.db2.gz VCMSJYRKOVZJEP-BCDXTJNWSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH2+]Cc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001169143152 811409016 /nfs/dbraw/zinc/40/90/16/811409016.db2.gz YKPZUNWOFVPHAM-PHZGNYQRSA-N 2 1 259.397 2.443 20 0 CEADMP C[NH2+]Cc1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169146145 811410855 /nfs/dbraw/zinc/41/08/55/811410855.db2.gz PAGNBNRLPOFSOD-PHZGNYQRSA-N 2 1 259.397 2.443 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@H](COCC3CC3)C1)C2 ZINC001169155431 811417694 /nfs/dbraw/zinc/41/76/94/811417694.db2.gz PEXFPIWOCVHJAS-WCXIOVBPSA-N 2 1 278.440 2.360 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@H](COCC3CC3)C1)C2 ZINC001169155431 811417703 /nfs/dbraw/zinc/41/77/03/811417703.db2.gz PEXFPIWOCVHJAS-WCXIOVBPSA-N 2 1 278.440 2.360 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@H](COCC3CC3)C1)C2 ZINC001169155431 811417708 /nfs/dbraw/zinc/41/77/08/811417708.db2.gz PEXFPIWOCVHJAS-WCXIOVBPSA-N 2 1 278.440 2.360 20 0 CEADMP C[N@@H+](C1CC1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169155547 811418068 /nfs/dbraw/zinc/41/80/68/811418068.db2.gz QVLAHDGUGIEHJV-FVQHAEBGSA-N 2 1 277.456 2.170 20 0 CEADMP C[NH+](C1CC1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169155547 811418073 /nfs/dbraw/zinc/41/80/73/811418073.db2.gz QVLAHDGUGIEHJV-FVQHAEBGSA-N 2 1 277.456 2.170 20 0 CEADMP C[NH+](C1CC1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169155547 811418080 /nfs/dbraw/zinc/41/80/80/811418080.db2.gz QVLAHDGUGIEHJV-FVQHAEBGSA-N 2 1 277.456 2.170 20 0 CEADMP CC[N@H+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C(C)(C)C1 ZINC001169160897 811420322 /nfs/dbraw/zinc/42/03/22/811420322.db2.gz MIMHLIQAELGQDV-FICVDOATSA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C(C)(C)C1 ZINC001169160897 811420325 /nfs/dbraw/zinc/42/03/25/811420325.db2.gz MIMHLIQAELGQDV-FICVDOATSA-N 2 1 265.445 2.028 20 0 CEADMP CC[NH+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C(C)(C)C1 ZINC001169160897 811420327 /nfs/dbraw/zinc/42/03/27/811420327.db2.gz MIMHLIQAELGQDV-FICVDOATSA-N 2 1 265.445 2.028 20 0 CEADMP CCCC[N@@H+](C)CCCNC1CC[NH+](CC)CC1 ZINC001169221809 811435587 /nfs/dbraw/zinc/43/55/87/811435587.db2.gz NLHWDWAYSFKQHZ-UHFFFAOYSA-N 3 1 255.450 2.182 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](CCO)c2ccc(F)cc2)CC1 ZINC001169224264 811437565 /nfs/dbraw/zinc/43/75/65/811437565.db2.gz HDBJYNBFCGXPLU-INIZCTEOSA-N 2 1 280.387 2.323 20 0 CEADMP CC(=O)N1CCC[C@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169595114 811581491 /nfs/dbraw/zinc/58/14/91/811581491.db2.gz UMUXJCZLFFWVTA-ULQDDVLXSA-N 2 1 295.471 2.225 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2c3cc[nH]c3ncc2Cl)CC[C@@H]1F ZINC001206165071 815458894 /nfs/dbraw/zinc/45/88/94/815458894.db2.gz MBIHZNJDMQIBEB-STQMWFEESA-N 2 1 296.777 2.429 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2c3cc[nH]c3ncc2Cl)CC[C@@H]1F ZINC001206165071 815458897 /nfs/dbraw/zinc/45/88/97/815458897.db2.gz MBIHZNJDMQIBEB-STQMWFEESA-N 2 1 296.777 2.429 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccn3ccnc23)CCC[C@@H]1C[NH3+] ZINC001206014862 811607450 /nfs/dbraw/zinc/60/74/50/811607450.db2.gz YGTGSHHQGILOKX-ZIAGYGMSSA-N 2 1 272.396 2.141 20 0 CEADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(N3CCCC3)o2)CC[C@H]1F ZINC001206166173 815463600 /nfs/dbraw/zinc/46/36/00/815463600.db2.gz RGMFMLNSEVVFHE-KGLIPLIRSA-N 2 1 281.375 2.141 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)o2)CC[C@H]1F ZINC001206166173 815463608 /nfs/dbraw/zinc/46/36/08/815463608.db2.gz RGMFMLNSEVVFHE-KGLIPLIRSA-N 2 1 281.375 2.141 20 0 CEADMP COc1ccc2[nH+]ccc(NC(C)(C)CC[NH+](C)C)c2n1 ZINC001169719081 811642873 /nfs/dbraw/zinc/64/28/73/811642873.db2.gz VQKORAYXFVRTAW-UHFFFAOYSA-N 2 1 288.395 2.203 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCC(C)(C)C)C1 ZINC001046197602 811705861 /nfs/dbraw/zinc/70/58/61/811705861.db2.gz MSBSCVKMDVUNDR-YOEHRIQHSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCC(C)(C)C)C1 ZINC001046197602 811705868 /nfs/dbraw/zinc/70/58/68/811705868.db2.gz MSBSCVKMDVUNDR-YOEHRIQHSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCC(C)(C)C)C1 ZINC001046197602 811705873 /nfs/dbraw/zinc/70/58/73/811705873.db2.gz MSBSCVKMDVUNDR-YOEHRIQHSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCN3)CCC[C@H]1C[NH3+] ZINC001206026435 811791394 /nfs/dbraw/zinc/79/13/94/811791394.db2.gz SDCUOTSUSGHZEL-CJNGLKHVSA-N 2 1 273.424 2.461 20 0 CEADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206173556 815490496 /nfs/dbraw/zinc/49/04/96/815490496.db2.gz IERFEXKNYWTDJB-ZIAGYGMSSA-N 2 1 254.324 2.395 20 0 CEADMP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H](C)CCCC(C)C ZINC001170060690 812018487 /nfs/dbraw/zinc/01/84/87/812018487.db2.gz BSFNSZVWCLMNMP-CHWSQXEVSA-N 2 1 258.406 2.071 20 0 CEADMP COc1cc(C)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cn1 ZINC001206566293 812095023 /nfs/dbraw/zinc/09/50/23/812095023.db2.gz ZGVULIYYOKSYIM-INIZCTEOSA-N 2 1 277.412 2.350 20 0 CEADMP C[C@H]1CC[C@H]([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001170119208 812165894 /nfs/dbraw/zinc/16/58/94/812165894.db2.gz WFYZIZVZMRNXKW-XUXIUFHCSA-N 2 1 252.402 2.146 20 0 CEADMP C[C@H]1CC[C@H]([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2[NH3+])C1 ZINC001170126279 812176044 /nfs/dbraw/zinc/17/60/44/812176044.db2.gz UVHOYXCVNJGZOM-FQUUOJAGSA-N 2 1 297.443 2.101 20 0 CEADMP C[C@H]1CC[C@@H]([NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)C1 ZINC001170134301 812209777 /nfs/dbraw/zinc/20/97/77/812209777.db2.gz AFUFSPXWPHDWPR-QWHCGFSZSA-N 2 1 265.401 2.305 20 0 CEADMP CCc1[nH]c(CN2CC[N@H+](C)CC23CCCC3)c(C)[nH+]1 ZINC001203251703 815524439 /nfs/dbraw/zinc/52/44/39/815524439.db2.gz PEBCJMTVBKMGNC-UHFFFAOYSA-N 2 1 276.428 2.341 20 0 CEADMP CCc1[nH]c(CN2CC[N@@H+](C)CC23CCCC3)c(C)[nH+]1 ZINC001203251703 815524442 /nfs/dbraw/zinc/52/44/42/815524442.db2.gz PEBCJMTVBKMGNC-UHFFFAOYSA-N 2 1 276.428 2.341 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3cccnc3c2)CC[C@H]1F ZINC001206174993 815522541 /nfs/dbraw/zinc/52/25/41/815522541.db2.gz RBGQIKMPKOQQNR-HUUCEWRRSA-N 2 1 273.355 2.496 20 0 CEADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(c3ccccn3)CC2)CC1 ZINC001254506510 812421681 /nfs/dbraw/zinc/42/16/81/812421681.db2.gz TWYJSLGKSNDLLO-CQSZACIVSA-N 2 1 259.397 2.187 20 0 CEADMP CCOC(=O)N1CCC([N@@H+](C)[C@@H]2CCC[NH+](C)CC2)CC1 ZINC001254524266 812437670 /nfs/dbraw/zinc/43/76/70/812437670.db2.gz ABNUWBGQUXHGRK-CQSZACIVSA-N 2 1 297.443 2.023 20 0 CEADMP CCOC(=O)N1CCC([NH+](C)[C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254524266 812437676 /nfs/dbraw/zinc/43/76/76/812437676.db2.gz ABNUWBGQUXHGRK-CQSZACIVSA-N 2 1 297.443 2.023 20 0 CEADMP CCOC(=O)N1CCC([NH+](C)[C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254524266 812437680 /nfs/dbraw/zinc/43/76/80/812437680.db2.gz ABNUWBGQUXHGRK-CQSZACIVSA-N 2 1 297.443 2.023 20 0 CEADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC1=CCCCC1 ZINC001129855506 812513820 /nfs/dbraw/zinc/51/38/20/812513820.db2.gz GIRDZPYCXZGQPP-INIZCTEOSA-N 2 1 293.455 2.067 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130188740 812541694 /nfs/dbraw/zinc/54/16/94/812541694.db2.gz IKQBGTWWHWEILY-HOTGVXAUSA-N 2 1 295.471 2.145 20 0 CEADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCCC1CCCC1 ZINC001130297328 812554664 /nfs/dbraw/zinc/55/46/64/812554664.db2.gz KZHGUXUUKJXBMT-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130713215 812600600 /nfs/dbraw/zinc/60/06/00/812600600.db2.gz HGLGBHRHNGWKDT-INIZCTEOSA-N 2 1 297.487 2.249 20 0 CEADMP CO[C@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001172919206 815544483 /nfs/dbraw/zinc/54/44/83/815544483.db2.gz OAYQWHHJLPQSQX-AJNGGQMLSA-N 2 1 254.418 2.406 20 0 CEADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+]C1CCSCC1 ZINC001255084628 812700963 /nfs/dbraw/zinc/70/09/63/812700963.db2.gz XPQGIBMGDFMYEN-UHFFFAOYSA-N 3 1 287.517 2.357 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CC2CC2)C1 ZINC001132153306 812791246 /nfs/dbraw/zinc/79/12/46/812791246.db2.gz PWTYHDNSJWKJNK-ZFWWWQNUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CC2)C1 ZINC001132153306 812791248 /nfs/dbraw/zinc/79/12/48/812791248.db2.gz PWTYHDNSJWKJNK-ZFWWWQNUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CC2)C1 ZINC001132153306 812791249 /nfs/dbraw/zinc/79/12/49/812791249.db2.gz PWTYHDNSJWKJNK-ZFWWWQNUSA-N 2 1 295.471 2.096 20 0 CEADMP CCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132441124 812855057 /nfs/dbraw/zinc/85/50/57/812855057.db2.gz KVIURWOMAFLJFB-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132441124 812855075 /nfs/dbraw/zinc/85/50/75/812855075.db2.gz KVIURWOMAFLJFB-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132441124 812855079 /nfs/dbraw/zinc/85/50/79/812855079.db2.gz KVIURWOMAFLJFB-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP [NH3+][C@@H]1CCN(Cc2c[nH]c3nc(Cl)ccc23)CC[C@@H]1F ZINC001206184749 815565720 /nfs/dbraw/zinc/56/57/20/815565720.db2.gz KANOOLUXQGIJCW-NWDGAFQWSA-N 2 1 296.777 2.478 20 0 CEADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(C)C)C1 ZINC001133229671 813014045 /nfs/dbraw/zinc/01/40/45/813014045.db2.gz LULIPEUQSMOQJI-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CC(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133345646 813034558 /nfs/dbraw/zinc/03/45/58/813034558.db2.gz FXKWDDVOWYMOAJ-CVEARBPZSA-N 2 1 297.487 2.057 20 0 CEADMP c1cc(C[N@H+]2CCOCC23CCCC3)c2c(c1)C[NH2+]CC2 ZINC000388689125 813241830 /nfs/dbraw/zinc/24/18/30/813241830.db2.gz KKFYMBIVNBWOLI-UHFFFAOYSA-N 2 1 286.419 2.477 20 0 CEADMP C[N@H+]1CCC[C@H](NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC001255475084 813281416 /nfs/dbraw/zinc/28/14/16/813281416.db2.gz LFHNDCQTABHRMA-KRWDZBQOSA-N 2 1 279.472 2.325 20 0 CEADMP CN1CCC[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C1 ZINC001255475084 813281417 /nfs/dbraw/zinc/28/14/17/813281417.db2.gz LFHNDCQTABHRMA-KRWDZBQOSA-N 2 1 279.472 2.325 20 0 CEADMP [NH3+]CCC[C@H]1CCCC[N@H+]([C@H]2CCCOCC2)C1 ZINC001170803401 813386477 /nfs/dbraw/zinc/38/64/77/813386477.db2.gz INVUCVSDUHXHEN-CABCVRRESA-N 2 1 254.418 2.397 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCOCC2)[C@H](C)C1 ZINC001170804488 813392782 /nfs/dbraw/zinc/39/27/82/813392782.db2.gz OULZMURZFUOEGE-QLFBSQMISA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H](C[C@H](C)[NH2+]CC1CC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135466824 813441885 /nfs/dbraw/zinc/44/18/85/813441885.db2.gz AMKSPKRCJCBKNO-UONOGXRCSA-N 2 1 295.471 2.001 20 0 CEADMP CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170871337 813567918 /nfs/dbraw/zinc/56/79/18/813567918.db2.gz OASQLBHBBFZABZ-RBSFLKMASA-N 2 1 283.460 2.001 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000399261746 813706240 /nfs/dbraw/zinc/70/62/40/813706240.db2.gz OYERMUNQSOXOMM-UWVGGRQHSA-N 2 1 251.201 2.112 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000399261746 813706250 /nfs/dbraw/zinc/70/62/50/813706250.db2.gz OYERMUNQSOXOMM-UWVGGRQHSA-N 2 1 251.201 2.112 20 0 CEADMP C[C@]1([NH2+][C@H]2CCc3c(F)cccc3C2)CCC[NH2+]C1 ZINC001246190103 813724848 /nfs/dbraw/zinc/72/48/48/813724848.db2.gz PFRKZPWHBQQTGZ-BBRMVZONSA-N 2 1 262.372 2.415 20 0 CEADMP CC(C)(C)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001246207176 813728865 /nfs/dbraw/zinc/72/88/65/813728865.db2.gz XGPZIFOGYOLFFA-AAVRWANBSA-N 3 1 253.434 2.013 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]CCc2ccc(F)cc2F)C[NH2+]1 ZINC001246323027 813776628 /nfs/dbraw/zinc/77/66/28/813776628.db2.gz IRERFQSEZWMSON-GXFFZTMASA-N 2 1 254.324 2.237 20 0 CEADMP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001074018281 813799085 /nfs/dbraw/zinc/79/90/85/813799085.db2.gz USJWFOFUNBMNAY-BZUAXINKSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001074018281 813799090 /nfs/dbraw/zinc/79/90/90/813799090.db2.gz USJWFOFUNBMNAY-BZUAXINKSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001074018281 813799097 /nfs/dbraw/zinc/79/90/97/813799097.db2.gz USJWFOFUNBMNAY-BZUAXINKSA-N 2 1 295.471 2.048 20 0 CEADMP CC[C@@]1([NH2+][C@H](C)Cc2cccc(F)c2)CC[NH2+]C1 ZINC001246459382 813840555 /nfs/dbraw/zinc/84/05/55/813840555.db2.gz JXSMXTCMMDTHBT-IUODEOHRSA-N 2 1 250.361 2.488 20 0 CEADMP CCCCOC(=O)CC[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC001246504837 813880323 /nfs/dbraw/zinc/88/03/23/813880323.db2.gz UPHLLJBQERHFEU-KGLIPLIRSA-N 2 1 272.433 2.461 20 0 CEADMP CC(C)[N@@H+](CCCO)C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255680462 813925941 /nfs/dbraw/zinc/92/59/41/813925941.db2.gz VVCKLEINTAPDIB-YIONKMFJSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[N@H+](CCCO)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680462 813925946 /nfs/dbraw/zinc/92/59/46/813925946.db2.gz VVCKLEINTAPDIB-YIONKMFJSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[N@@H+](CCCO)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680462 813925948 /nfs/dbraw/zinc/92/59/48/813925948.db2.gz VVCKLEINTAPDIB-YIONKMFJSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[NH+](CCCO)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680462 813925953 /nfs/dbraw/zinc/92/59/53/813925953.db2.gz VVCKLEINTAPDIB-YIONKMFJSA-N 2 1 254.418 2.095 20 0 CEADMP CC(C)[NH+](CCCO)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680462 813925961 /nfs/dbraw/zinc/92/59/61/813925961.db2.gz VVCKLEINTAPDIB-YIONKMFJSA-N 2 1 254.418 2.095 20 0 CEADMP Cc1c(O)cccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001144118329 813959011 /nfs/dbraw/zinc/95/90/11/813959011.db2.gz SUVDGWNJRYPPGJ-MRXNPFEDSA-N 2 1 260.381 2.228 20 0 CEADMP Cc1c(O)cccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001144118329 813959020 /nfs/dbraw/zinc/95/90/20/813959020.db2.gz SUVDGWNJRYPPGJ-MRXNPFEDSA-N 2 1 260.381 2.228 20 0 CEADMP Cc1c(O)cccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001144118329 813959023 /nfs/dbraw/zinc/95/90/23/813959023.db2.gz SUVDGWNJRYPPGJ-MRXNPFEDSA-N 2 1 260.381 2.228 20 0 CEADMP Cc1c(O)cccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001144118329 813959032 /nfs/dbraw/zinc/95/90/32/813959032.db2.gz SUVDGWNJRYPPGJ-MRXNPFEDSA-N 2 1 260.381 2.228 20 0 CEADMP C[C@H]1C[N@H+](C2CCC3(CCOCC3)CC2)C[C@H]1C[NH3+] ZINC001246546503 813972636 /nfs/dbraw/zinc/97/26/36/813972636.db2.gz KNWSCZVZSIPXMR-UONOGXRCSA-N 2 1 266.429 2.252 20 0 CEADMP C[C@@H](Cc1ccccn1)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246545701 813975308 /nfs/dbraw/zinc/97/53/08/813975308.db2.gz CLKKZJWCNRIYSZ-ZFWWWQNUSA-N 2 1 265.376 2.166 20 0 CEADMP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099348945 814000345 /nfs/dbraw/zinc/00/03/45/814000345.db2.gz MEPOBMHUIBGOQW-HNNXBMFYSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099348945 814000356 /nfs/dbraw/zinc/00/03/56/814000356.db2.gz MEPOBMHUIBGOQW-HNNXBMFYSA-N 2 1 297.487 2.343 20 0 CEADMP CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099348945 814000365 /nfs/dbraw/zinc/00/03/65/814000365.db2.gz MEPOBMHUIBGOQW-HNNXBMFYSA-N 2 1 297.487 2.343 20 0 CEADMP CC(C)OCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246563338 814051350 /nfs/dbraw/zinc/05/13/50/814051350.db2.gz PXARWUJWNMYXJD-SOUVJXGZSA-N 2 1 256.434 2.497 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001255957948 814062489 /nfs/dbraw/zinc/06/24/89/814062489.db2.gz XHINCGPCUREYDB-STQMWFEESA-N 2 1 296.377 2.354 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001255957948 814062494 /nfs/dbraw/zinc/06/24/94/814062494.db2.gz XHINCGPCUREYDB-STQMWFEESA-N 2 1 296.377 2.354 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001255964355 814064348 /nfs/dbraw/zinc/06/43/48/814064348.db2.gz RDZORTKYDKWHKJ-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001255964355 814064350 /nfs/dbraw/zinc/06/43/50/814064350.db2.gz RDZORTKYDKWHKJ-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC001255964844 814064540 /nfs/dbraw/zinc/06/45/40/814064540.db2.gz VRIGSBLDFZWHNH-HNNXBMFYSA-N 2 1 297.487 2.343 20 0 CEADMP CCCCC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001100457189 814130436 /nfs/dbraw/zinc/13/04/36/814130436.db2.gz SUQNAXWSTKJIRA-UHFFFAOYSA-N 2 1 297.487 2.391 20 0 CEADMP c1[nH+]c(CN2CCC([NH+]3CCC3)CC2)c2ccccn12 ZINC001144630803 814135433 /nfs/dbraw/zinc/13/54/33/814135433.db2.gz WCZBRPAYKFUJKX-UHFFFAOYSA-N 2 1 270.380 2.004 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](C)(C[NH3+])C2)CCO1 ZINC001246579575 814140482 /nfs/dbraw/zinc/14/04/82/814140482.db2.gz FUGQFUCNPJFMGQ-ZNMIVQPWSA-N 2 1 254.418 2.395 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H](C[NH3+])C2)C1 ZINC001246585588 814168572 /nfs/dbraw/zinc/16/85/72/814168572.db2.gz YEWPWDNDSBLNSH-ILXRZTDVSA-N 2 1 282.428 2.169 20 0 CEADMP COc1cccc(CC2([NH2+]C3CC[NH+](C)CC3)CC2)c1 ZINC001256201549 814182401 /nfs/dbraw/zinc/18/24/01/814182401.db2.gz LXJWBSQMAISFEA-UHFFFAOYSA-N 2 1 274.408 2.454 20 0 CEADMP CCCC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001100898629 814202079 /nfs/dbraw/zinc/20/20/79/814202079.db2.gz ROVLHFOGYVECRC-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001171236062 814205757 /nfs/dbraw/zinc/20/57/57/814205757.db2.gz KTISGKQBHSAXIS-HOTGVXAUSA-N 2 1 297.487 2.249 20 0 CEADMP CC[C@@H](C)C[C@@H](CC)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246620277 814216561 /nfs/dbraw/zinc/21/65/61/814216561.db2.gz XIPVTIFXXPTPQG-WCVJEAGWSA-N 2 1 267.461 2.227 20 0 CEADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246619944 814217236 /nfs/dbraw/zinc/21/72/36/814217236.db2.gz VFLKQWPRQDTIOZ-NCOADZHNSA-N 2 1 281.488 2.473 20 0 CEADMP CC[C@H](C)C[C@H](CC)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246628424 814226029 /nfs/dbraw/zinc/22/60/29/814226029.db2.gz ZEDYOVCNQTZEAO-LJISPDSOSA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)(C)[C@H]1C[C@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CC[NH2+]1 ZINC001246651780 814245645 /nfs/dbraw/zinc/24/56/45/814245645.db2.gz ZSAHZCXOJNVKFG-HUUCEWRRSA-N 3 1 279.472 2.229 20 0 CEADMP CC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001101588654 814284677 /nfs/dbraw/zinc/28/46/77/814284677.db2.gz WUQJUZUNXFBHAB-UHFFFAOYSA-N 2 1 297.487 2.203 20 0 CEADMP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146601151 814299071 /nfs/dbraw/zinc/29/90/71/814299071.db2.gz KNHISGRSAVDHLH-GJZGRUSLSA-N 2 1 285.476 2.390 20 0 CEADMP COc1ccccc1C[C@@H](C)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000234907114 814510988 /nfs/dbraw/zinc/51/09/88/814510988.db2.gz SKFDSDWJZPDDNF-FMKPAKJESA-N 2 1 276.424 2.414 20 0 CEADMP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103664663 814515932 /nfs/dbraw/zinc/51/59/32/814515932.db2.gz OWGKWZUZLAUYSW-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001103664663 814515939 /nfs/dbraw/zinc/51/59/39/814515939.db2.gz OWGKWZUZLAUYSW-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001103664663 814515944 /nfs/dbraw/zinc/51/59/44/814515944.db2.gz OWGKWZUZLAUYSW-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP CC(C)(C[NH3+])[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171338595 814614828 /nfs/dbraw/zinc/61/48/28/814614828.db2.gz WLIVPNHMJYVOGT-NSHDSACASA-N 2 1 254.324 2.149 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC001173110842 815582637 /nfs/dbraw/zinc/58/26/37/815582637.db2.gz ZEOICIQIKRYXIG-NFOMZHRRSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4c(F)cc(F)cc4C3)C[C@@H]2C1 ZINC001171382717 814725470 /nfs/dbraw/zinc/72/54/70/814725470.db2.gz CZBPPENOLNXOTC-GUTXKFCHSA-N 2 1 292.373 2.316 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4c(F)cc(F)cc4C3)C[C@@H]2C1 ZINC001171382717 814725475 /nfs/dbraw/zinc/72/54/75/814725475.db2.gz CZBPPENOLNXOTC-GUTXKFCHSA-N 2 1 292.373 2.316 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4c(F)cc(F)cc4C3)C[C@@H]2C1 ZINC001171382717 814725482 /nfs/dbraw/zinc/72/54/82/814725482.db2.gz CZBPPENOLNXOTC-GUTXKFCHSA-N 2 1 292.373 2.316 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H](C)[C@@H](C(=O)OC)C2)CC1 ZINC001173115265 815583916 /nfs/dbraw/zinc/58/39/16/815583916.db2.gz CFYVLXQVKZNANU-LBDPXKHJSA-N 2 1 296.455 2.380 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000712414164 814742682 /nfs/dbraw/zinc/74/26/82/814742682.db2.gz HTBZPSHTZJMTQG-MELADBBJSA-N 2 1 252.402 2.290 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000712414164 814742688 /nfs/dbraw/zinc/74/26/88/814742688.db2.gz HTBZPSHTZJMTQG-MELADBBJSA-N 2 1 252.402 2.290 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000712414166 814743406 /nfs/dbraw/zinc/74/34/06/814743406.db2.gz HTBZPSHTZJMTQG-MJBXVCDLSA-N 2 1 252.402 2.290 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000712414166 814743410 /nfs/dbraw/zinc/74/34/10/814743410.db2.gz HTBZPSHTZJMTQG-MJBXVCDLSA-N 2 1 252.402 2.290 20 0 CEADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCc2ncsc2C1 ZINC001173121392 815586935 /nfs/dbraw/zinc/58/69/35/815586935.db2.gz OJGKFWJHMUNTSO-LLVKDONJSA-N 2 1 253.415 2.060 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3ncsc3C2)C1 ZINC001173123539 815588534 /nfs/dbraw/zinc/58/85/34/815588534.db2.gz FDKAGCQBJCCIIR-OLZOCXBDSA-N 2 1 279.453 2.322 20 0 CEADMP C[C@@H]1CC[N@H+](C[C@H]2CCCC(C)(C)O2)[C@H](C[NH3+])C1 ZINC000714330054 814894585 /nfs/dbraw/zinc/89/45/85/814894585.db2.gz IUDSBZAZTTUCFX-HZSPNIEDSA-N 2 1 254.418 2.393 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)O2)[C@H](C[NH3+])C1 ZINC000714330054 814894587 /nfs/dbraw/zinc/89/45/87/814894587.db2.gz IUDSBZAZTTUCFX-HZSPNIEDSA-N 2 1 254.418 2.393 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000714381677 814898931 /nfs/dbraw/zinc/89/89/31/814898931.db2.gz XFOOKSIBMYRXEP-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cnc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)o1 ZINC000714409469 814901514 /nfs/dbraw/zinc/90/15/14/814901514.db2.gz HFMVVLJFDYVDLX-UHFFFAOYSA-N 2 1 251.374 2.180 20 0 CEADMP CC(C)(C[NH3+])C1CC[NH+](Cc2nccs2)CC1 ZINC000714459198 814906930 /nfs/dbraw/zinc/90/69/30/814906930.db2.gz XTOXGXMHUUTLJG-UHFFFAOYSA-N 2 1 253.415 2.340 20 0 CEADMP [NH3+][C@H]1CC[N@@H+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001173194878 815618272 /nfs/dbraw/zinc/61/82/72/815618272.db2.gz BZDGGKUKYWFASB-HLIUYOAVSA-N 2 1 260.381 2.410 20 0 CEADMP [NH3+][C@H]1CC[N@H+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001173194878 815618276 /nfs/dbraw/zinc/61/82/76/815618276.db2.gz BZDGGKUKYWFASB-HLIUYOAVSA-N 2 1 260.381 2.410 20 0 CEADMP CCCC[C@@H](CC(C)C)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001173249707 815639813 /nfs/dbraw/zinc/63/98/13/815639813.db2.gz JGTPPKYGJGFZRQ-UONOGXRCSA-N 2 1 272.433 2.461 20 0 CEADMP CC[N@H+]1CC[C@H](n2c3ccccc3c3c2C[C@@H]([NH3+])C3)C1 ZINC001173354685 815696110 /nfs/dbraw/zinc/69/61/10/815696110.db2.gz IXKPAHRCYOSUBK-STQMWFEESA-N 2 1 269.392 2.334 20 0 CEADMP CC[N@H+]1CC[C@H](N2C[C@H]3CC[NH+](Cc4ccccc4)[C@H]3C2)C1 ZINC001173365423 815702924 /nfs/dbraw/zinc/70/29/24/815702924.db2.gz HRZALZGWPPDALN-QYZOEREBSA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)C1 ZINC001173365423 815702933 /nfs/dbraw/zinc/70/29/33/815702933.db2.gz HRZALZGWPPDALN-QYZOEREBSA-N 2 1 299.462 2.287 20 0 CEADMP CC[NH+]1CC[C@H](N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)C1 ZINC001173365423 815702938 /nfs/dbraw/zinc/70/29/38/815702938.db2.gz HRZALZGWPPDALN-QYZOEREBSA-N 2 1 299.462 2.287 20 0 CEADMP CC[N@H+]1CC[C@H](N2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001173364624 815703862 /nfs/dbraw/zinc/70/38/62/815703862.db2.gz XNMBRXJBRKXUIX-IRXDYDNUSA-N 2 1 279.472 2.421 20 0 CEADMP CC(=O)Oc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC001138043508 815721740 /nfs/dbraw/zinc/72/17/40/815721740.db2.gz WTNQXKQYYXZGNY-UHFFFAOYSA-N 2 1 290.407 2.386 20 0 CEADMP CCOC(=O)[C@H]1CC12CCC(n1c[nH+]cc1CC[NH3+])CC2 ZINC001173601552 815760348 /nfs/dbraw/zinc/76/03/48/815760348.db2.gz LUABASZPJBUAMS-CXOJTPOUSA-N 2 1 291.395 2.069 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC001173662605 815779671 /nfs/dbraw/zinc/77/96/71/815779671.db2.gz YLAUGDFTMLRLSY-BFYDXBDKSA-N 2 1 294.439 2.136 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC001173662605 815779677 /nfs/dbraw/zinc/77/96/77/815779677.db2.gz YLAUGDFTMLRLSY-BFYDXBDKSA-N 2 1 294.439 2.136 20 0 CEADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC001173662605 815779682 /nfs/dbraw/zinc/77/96/82/815779682.db2.gz YLAUGDFTMLRLSY-BFYDXBDKSA-N 2 1 294.439 2.136 20 0 CEADMP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001173665425 815781624 /nfs/dbraw/zinc/78/16/24/815781624.db2.gz SZMPCTKRUAPMAA-GOEBONIOSA-N 2 1 294.439 2.278 20 0 CEADMP CC[N@@H+](Cc1cnc(SC)nc1)C1CCN(C)CC1 ZINC001138704819 815873130 /nfs/dbraw/zinc/87/31/30/815873130.db2.gz CQWGQQRCVWIKBR-UHFFFAOYSA-N 2 1 280.441 2.115 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cnc2[nH]ccc2c1 ZINC001138739387 815884193 /nfs/dbraw/zinc/88/41/93/815884193.db2.gz QIQZYECOLUVVPE-UHFFFAOYSA-N 2 1 272.396 2.481 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnc2[nH]ccc2c1 ZINC001138739387 815884196 /nfs/dbraw/zinc/88/41/96/815884196.db2.gz QIQZYECOLUVVPE-UHFFFAOYSA-N 2 1 272.396 2.481 20 0 CEADMP Cc1cccc2[nH]cc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)c21 ZINC001139196245 815982043 /nfs/dbraw/zinc/98/20/43/815982043.db2.gz MGQFDWDNGBBFFI-GASCZTMLSA-N 2 1 269.392 2.470 20 0 CEADMP Cc1cccc2[nH]cc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c21 ZINC001139196245 815982048 /nfs/dbraw/zinc/98/20/48/815982048.db2.gz MGQFDWDNGBBFFI-GASCZTMLSA-N 2 1 269.392 2.470 20 0 CEADMP Cc1cccc2[nH]cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c21 ZINC001139196245 815982053 /nfs/dbraw/zinc/98/20/53/815982053.db2.gz MGQFDWDNGBBFFI-GASCZTMLSA-N 2 1 269.392 2.470 20 0 CEADMP CCCC[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139320085 816002860 /nfs/dbraw/zinc/00/28/60/816002860.db2.gz OWRVPUCMRUXQGG-UHFFFAOYSA-N 2 1 282.457 2.127 20 0 CEADMP CCCC[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139320085 816002867 /nfs/dbraw/zinc/00/28/67/816002867.db2.gz OWRVPUCMRUXQGG-UHFFFAOYSA-N 2 1 282.457 2.127 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273255 816167429 /nfs/dbraw/zinc/16/74/29/816167429.db2.gz QMNROXNRUDXYTE-AWEZNQCLSA-N 2 1 283.460 2.003 20 0 CEADMP CC(C)(C)C[NH+]1CCC(Nc2ncnc3c2C[NH2+]C3)CC1 ZINC001161207182 816207283 /nfs/dbraw/zinc/20/72/83/816207283.db2.gz JYDSQNBCOBSYGS-UHFFFAOYSA-N 2 1 289.427 2.002 20 0 CEADMP CC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175703660 816274499 /nfs/dbraw/zinc/27/44/99/816274499.db2.gz IQZBKKIVHSUGSA-AWEZNQCLSA-N 2 1 294.443 2.256 20 0 CEADMP CCCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176024731 816327291 /nfs/dbraw/zinc/32/72/91/816327291.db2.gz QYZSFJBMARZYAU-HNNXBMFYSA-N 2 1 285.476 2.393 20 0 CEADMP CCN1CC[NH+](Cc2ccc(Nc3[nH]cc[nH+]3)cc2)CC1 ZINC001176085247 816339511 /nfs/dbraw/zinc/33/95/11/816339511.db2.gz ZPFJGXHFTIQMMV-UHFFFAOYSA-N 2 1 285.395 2.291 20 0 CEADMP O=C1CCC[C@]2(CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)N1 ZINC001140802788 816362164 /nfs/dbraw/zinc/36/21/64/816362164.db2.gz DLQCYQJOHNKLPO-QGZVFWFLSA-N 2 1 298.390 2.198 20 0 CEADMP O=C1CCC[C@]2(CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)N1 ZINC001140802788 816362172 /nfs/dbraw/zinc/36/21/72/816362172.db2.gz DLQCYQJOHNKLPO-QGZVFWFLSA-N 2 1 298.390 2.198 20 0 CEADMP Cc1noc([C@H]2CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140805168 816368697 /nfs/dbraw/zinc/36/86/97/816368697.db2.gz UVIRPNZZKBNCMC-NSHDSACASA-N 2 1 283.335 2.244 20 0 CEADMP Cc1noc([C@H]2CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)n1 ZINC001140805168 816368705 /nfs/dbraw/zinc/36/87/05/816368705.db2.gz UVIRPNZZKBNCMC-NSHDSACASA-N 2 1 283.335 2.244 20 0 CEADMP CCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C12CCC2 ZINC001203103555 816500829 /nfs/dbraw/zinc/50/08/29/816500829.db2.gz LKPBGRQQBWYVNQ-KGLIPLIRSA-N 2 1 295.471 2.144 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc2nsnc21 ZINC001177328886 816548279 /nfs/dbraw/zinc/54/82/79/816548279.db2.gz UFCHRYHPOYWWIU-UHFFFAOYSA-N 2 1 287.392 2.376 20 0 CEADMP Cc1nc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cs1 ZINC001206303581 816559764 /nfs/dbraw/zinc/55/97/64/816559764.db2.gz DAZXUYUIDHFSFF-CYBMUJFWSA-N 2 1 253.415 2.402 20 0 CEADMP CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161219293 816582784 /nfs/dbraw/zinc/58/27/84/816582784.db2.gz BHIUHKXOUYYFQN-HNNXBMFYSA-N 2 1 293.455 2.019 20 0 CEADMP CCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001161219293 816582791 /nfs/dbraw/zinc/58/27/91/816582791.db2.gz BHIUHKXOUYYFQN-HNNXBMFYSA-N 2 1 293.455 2.019 20 0 CEADMP CCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001161219293 816582798 /nfs/dbraw/zinc/58/27/98/816582798.db2.gz BHIUHKXOUYYFQN-HNNXBMFYSA-N 2 1 293.455 2.019 20 0 CEADMP CC(=O)OCc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC001141786927 816589123 /nfs/dbraw/zinc/58/91/23/816589123.db2.gz AWEHHJFKPDOCEH-UHFFFAOYSA-N 2 1 294.395 2.116 20 0 CEADMP CN1CCC([N@H+](C)Cc2cccc3nc[nH]c32)CC1 ZINC001142673020 816705135 /nfs/dbraw/zinc/70/51/35/816705135.db2.gz VWTNPTZMJYATKB-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP CN1CCC([N@@H+](C)Cc2cccc3nc[nH]c32)CC1 ZINC001142673020 816705140 /nfs/dbraw/zinc/70/51/40/816705140.db2.gz VWTNPTZMJYATKB-UHFFFAOYSA-N 2 1 258.369 2.089 20 0 CEADMP COc1cc(C)cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1 ZINC001143153037 816792576 /nfs/dbraw/zinc/79/25/76/816792576.db2.gz KMXLJMZJADLHFU-CVEARBPZSA-N 2 1 274.408 2.387 20 0 CEADMP COc1cc(C)cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001143153037 816792582 /nfs/dbraw/zinc/79/25/82/816792582.db2.gz KMXLJMZJADLHFU-CVEARBPZSA-N 2 1 274.408 2.387 20 0 CEADMP CC(C)C[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580805 816885731 /nfs/dbraw/zinc/88/57/31/816885731.db2.gz QRTLVBYXQODVGS-INIZCTEOSA-N 2 1 297.487 2.393 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342134410 282085254 /nfs/dbraw/zinc/08/52/54/282085254.db2.gz PRJBJPNLHFYKGB-SOUVJXGZSA-N 2 1 296.418 2.497 20 0 CEADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C(C)C ZINC000124480251 187139849 /nfs/dbraw/zinc/13/98/49/187139849.db2.gz PMRFAALLDMNOAZ-MRXNPFEDSA-N 2 1 269.477 2.284 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000449077111 282090941 /nfs/dbraw/zinc/09/09/41/282090941.db2.gz IXSCKJDXXBUBSL-RBSFLKMASA-N 2 1 256.434 2.369 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000449085540 282094303 /nfs/dbraw/zinc/09/43/03/282094303.db2.gz ODPCWCBJNBSRHC-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000449083079 282093405 /nfs/dbraw/zinc/09/34/05/282093405.db2.gz AKVBQKVOUQRYFC-HUUCEWRRSA-N 2 1 283.460 2.003 20 0 CEADMP COCC1CCC([NH2+]C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000449089430 282095537 /nfs/dbraw/zinc/09/55/37/282095537.db2.gz KHCCRAJMWFWPQW-ZALBZXLWSA-N 2 1 254.418 2.121 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000337523786 214137438 /nfs/dbraw/zinc/13/74/38/214137438.db2.gz QRKRJLCWAOSZCM-BBWFWOEESA-N 2 1 298.471 2.018 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000449134918 282113448 /nfs/dbraw/zinc/11/34/48/282113448.db2.gz MGPQSLLUGSSJLE-JKSUJKDBSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000449132009 282111925 /nfs/dbraw/zinc/11/19/25/282111925.db2.gz RADXFILWJJTXBI-KBXIAJHMSA-N 2 1 254.418 2.262 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2csc(C)n2)C1 ZINC000125008852 187165853 /nfs/dbraw/zinc/16/58/53/187165853.db2.gz VAAUZLQMEOVOGJ-ZDUSSCGKSA-N 2 1 267.442 2.268 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2csc(C)n2)C1 ZINC000125008852 187165854 /nfs/dbraw/zinc/16/58/54/187165854.db2.gz VAAUZLQMEOVOGJ-ZDUSSCGKSA-N 2 1 267.442 2.268 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2csc(C)n2)C1 ZINC000125008852 187165855 /nfs/dbraw/zinc/16/58/55/187165855.db2.gz VAAUZLQMEOVOGJ-ZDUSSCGKSA-N 2 1 267.442 2.268 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2csc(C)n2)C1 ZINC000125008852 187165856 /nfs/dbraw/zinc/16/58/56/187165856.db2.gz VAAUZLQMEOVOGJ-ZDUSSCGKSA-N 2 1 267.442 2.268 20 0 CEADMP C[C@H](Cc1ccoc1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000449151024 282121191 /nfs/dbraw/zinc/12/11/91/282121191.db2.gz VEWJOGCYIRTYNY-ZBFHGGJFSA-N 2 1 280.412 2.037 20 0 CEADMP C[C@H]1C[N@H+]([C@H]2C=CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000336558930 365644833 /nfs/dbraw/zinc/64/48/33/365644833.db2.gz AUFBXUQTUNDETG-HOTGVXAUSA-N 2 1 277.456 2.195 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H]1CCCO1 ZINC000125474882 365675204 /nfs/dbraw/zinc/67/52/04/365675204.db2.gz JCNFFXSRWUXNOA-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H]1CCCO1 ZINC000125474882 365675211 /nfs/dbraw/zinc/67/52/11/365675211.db2.gz JCNFFXSRWUXNOA-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000567681181 299074736 /nfs/dbraw/zinc/07/47/36/299074736.db2.gz LTWZEKMSBAZQSP-QZTJIDSGSA-N 2 1 290.451 2.302 20 0 CEADMP COC(=O)c1cc2cc(C[N@@H+](C)CCC[NH3+])ccc2o1 ZINC000592474304 342698768 /nfs/dbraw/zinc/69/87/68/342698768.db2.gz ZLLWLANFKVGHJT-UHFFFAOYSA-N 2 1 276.336 2.000 20 0 CEADMP C[N@@H+](CCOc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000036300534 361839914 /nfs/dbraw/zinc/83/99/14/361839914.db2.gz FGYWAKLXRQBZCO-UHFFFAOYSA-N 2 1 268.788 2.403 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000036864551 361865367 /nfs/dbraw/zinc/86/53/67/361865367.db2.gz DRLGJFIBLBFPCL-GFCCVEGCSA-N 2 1 264.417 2.381 20 0 CEADMP Cc1n[nH]c(C)c1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000036864551 361865370 /nfs/dbraw/zinc/86/53/70/361865370.db2.gz DRLGJFIBLBFPCL-GFCCVEGCSA-N 2 1 264.417 2.381 20 0 CEADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000412402192 529385953 /nfs/dbraw/zinc/38/59/53/529385953.db2.gz QAWGLEHANKWSBW-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000412402192 529385956 /nfs/dbraw/zinc/38/59/56/529385956.db2.gz QAWGLEHANKWSBW-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000412402192 529385957 /nfs/dbraw/zinc/38/59/57/529385957.db2.gz QAWGLEHANKWSBW-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[C@H](C[NH2+]CCCn2cc[nH+]c2C)CCO1 ZINC000337951449 214328331 /nfs/dbraw/zinc/32/83/31/214328331.db2.gz VKHOZGDGHDDFSA-HUUCEWRRSA-N 2 1 265.401 2.376 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C(C)C)C2)[C@H](C)C1 ZINC000125799691 365687715 /nfs/dbraw/zinc/68/77/15/365687715.db2.gz PIQXPFSYDIWGAX-IKGGRYGDSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](C(C)C)C2)[C@H](C)C1 ZINC000125799691 365687717 /nfs/dbraw/zinc/68/77/17/365687717.db2.gz PIQXPFSYDIWGAX-IKGGRYGDSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](C(C)C)C2)[C@H](C)C1 ZINC000125799691 365687720 /nfs/dbraw/zinc/68/77/20/365687720.db2.gz PIQXPFSYDIWGAX-IKGGRYGDSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C(C)C)C2)[C@H](C)C1 ZINC000125799691 365687722 /nfs/dbraw/zinc/68/77/22/365687722.db2.gz PIQXPFSYDIWGAX-IKGGRYGDSA-N 3 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](C(C)C)C2)[C@H](C)C1 ZINC000125799691 365687726 /nfs/dbraw/zinc/68/77/26/365687726.db2.gz PIQXPFSYDIWGAX-IKGGRYGDSA-N 3 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)[C@H](C)C1 ZINC000125799691 365687730 /nfs/dbraw/zinc/68/77/30/365687730.db2.gz PIQXPFSYDIWGAX-IKGGRYGDSA-N 3 1 281.488 2.427 20 0 CEADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)[C@H](C)C1 ZINC000125799691 365687733 /nfs/dbraw/zinc/68/77/33/365687733.db2.gz PIQXPFSYDIWGAX-IKGGRYGDSA-N 3 1 281.488 2.427 20 0 CEADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(Br)c1 ZINC000414978513 529452597 /nfs/dbraw/zinc/45/25/97/529452597.db2.gz MDACNIIXNPHAAV-NSHDSACASA-N 2 1 257.175 2.276 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000125741576 187198214 /nfs/dbraw/zinc/19/82/14/187198214.db2.gz OBGRWLSBNFBBIK-JYJNAYRXSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CN[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000125741576 187198215 /nfs/dbraw/zinc/19/82/15/187198215.db2.gz OBGRWLSBNFBBIK-JYJNAYRXSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000125741576 187198216 /nfs/dbraw/zinc/19/82/16/187198216.db2.gz OBGRWLSBNFBBIK-JYJNAYRXSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000125741576 187198217 /nfs/dbraw/zinc/19/82/17/187198217.db2.gz OBGRWLSBNFBBIK-JYJNAYRXSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000125741576 187198218 /nfs/dbraw/zinc/19/82/18/187198218.db2.gz OBGRWLSBNFBBIK-JYJNAYRXSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000125741576 187198219 /nfs/dbraw/zinc/19/82/19/187198219.db2.gz OBGRWLSBNFBBIK-JYJNAYRXSA-N 3 1 267.461 2.179 20 0 CEADMP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000125741576 187198220 /nfs/dbraw/zinc/19/82/20/187198220.db2.gz OBGRWLSBNFBBIK-JYJNAYRXSA-N 3 1 267.461 2.179 20 0 CEADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000226581716 539172759 /nfs/dbraw/zinc/17/27/59/539172759.db2.gz RWWCLPINVWTSKG-MCIONIFRSA-N 2 1 252.402 2.160 20 0 CEADMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000226581716 539172760 /nfs/dbraw/zinc/17/27/60/539172760.db2.gz RWWCLPINVWTSKG-MCIONIFRSA-N 2 1 252.402 2.160 20 0 CEADMP CN1CC(C[N@@H+](C)C[C@@H]2CCOc3ccccc32)C1 ZINC000668540202 539193862 /nfs/dbraw/zinc/19/38/62/539193862.db2.gz ZQGUHCOHOAHIOM-AWEZNQCLSA-N 2 1 260.381 2.046 20 0 CEADMP C[C@@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)C[C@H](C)[C@H]1O ZINC000668553447 539196846 /nfs/dbraw/zinc/19/68/46/539196846.db2.gz CDQNKSIIRUPPIM-JYAVWHMHSA-N 2 1 291.420 2.383 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccn1 ZINC000621775172 349698583 /nfs/dbraw/zinc/69/85/83/349698583.db2.gz ICDQBUXVQREVCL-HZPDHXFCSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccn1 ZINC000621775172 349698586 /nfs/dbraw/zinc/69/85/86/349698586.db2.gz ICDQBUXVQREVCL-HZPDHXFCSA-N 2 1 259.397 2.354 20 0 CEADMP COc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621777671 349699486 /nfs/dbraw/zinc/69/94/86/349699486.db2.gz DYEUZWDNGYHAHD-GOEBONIOSA-N 2 1 260.381 2.051 20 0 CEADMP COc1ccc(CC[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621777671 349699488 /nfs/dbraw/zinc/69/94/88/349699488.db2.gz DYEUZWDNGYHAHD-GOEBONIOSA-N 2 1 260.381 2.051 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000305012150 539210930 /nfs/dbraw/zinc/21/09/30/539210930.db2.gz RHBBKCWZHMYKEI-KSZLIROESA-N 2 1 288.435 2.211 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000305012150 539210931 /nfs/dbraw/zinc/21/09/31/539210931.db2.gz RHBBKCWZHMYKEI-KSZLIROESA-N 2 1 288.435 2.211 20 0 CEADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000305012150 539210932 /nfs/dbraw/zinc/21/09/32/539210932.db2.gz RHBBKCWZHMYKEI-KSZLIROESA-N 2 1 288.435 2.211 20 0 CEADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000305012150 539210933 /nfs/dbraw/zinc/21/09/33/539210933.db2.gz RHBBKCWZHMYKEI-KSZLIROESA-N 2 1 288.435 2.211 20 0 CEADMP CCn1cc(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000621774936 349697383 /nfs/dbraw/zinc/69/73/83/349697383.db2.gz AVCXLBISXISPCZ-IRXDYDNUSA-N 2 1 290.455 2.157 20 0 CEADMP CC(C)C[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000396824691 539217699 /nfs/dbraw/zinc/21/76/99/539217699.db2.gz FBEKIWFKOKHWJB-HUUCEWRRSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)C[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000396824691 539217700 /nfs/dbraw/zinc/21/77/00/539217700.db2.gz FBEKIWFKOKHWJB-HUUCEWRRSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)C[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000396824691 539217701 /nfs/dbraw/zinc/21/77/01/539217701.db2.gz FBEKIWFKOKHWJB-HUUCEWRRSA-N 2 1 256.434 2.198 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449343785 282194063 /nfs/dbraw/zinc/19/40/63/282194063.db2.gz NACAMTGBWRQYRH-QXSJWSMHSA-N 2 1 295.471 2.273 20 0 CEADMP CCn1ccnc1[C@H](C)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000412396427 529593410 /nfs/dbraw/zinc/59/34/10/529593410.db2.gz ICDQUTLJHMDINR-UONOGXRCSA-N 2 1 292.427 2.345 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[C@H]1C ZINC000449367852 282202834 /nfs/dbraw/zinc/20/28/34/282202834.db2.gz ZHVONPHNWJXHAM-FXUDXRNXSA-N 2 1 295.471 2.225 20 0 CEADMP CCC[C@H](C)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785232 539272037 /nfs/dbraw/zinc/27/20/37/539272037.db2.gz OQSHOCMOYIGXRX-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP C(C[C@@H]1CCOC1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668820602 539278290 /nfs/dbraw/zinc/27/82/90/539278290.db2.gz WYJSDRNESRJOEH-CVEARBPZSA-N 2 1 266.429 2.125 20 0 CEADMP CC[C@H](C)C[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350948502 219071071 /nfs/dbraw/zinc/07/10/71/219071071.db2.gz ILNIQIWDUBZGJP-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000042911955 362128292 /nfs/dbraw/zinc/12/82/92/362128292.db2.gz OVGWQTPADDNVMC-UHFFFAOYSA-N 2 1 299.422 2.436 20 0 CEADMP C[C@@H]1CCC[C@H]([N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000043402186 362143508 /nfs/dbraw/zinc/14/35/08/362143508.db2.gz XLUJAMYYHBFWDI-MNOVXSKESA-N 2 1 266.389 2.274 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000322901816 539297624 /nfs/dbraw/zinc/29/76/24/539297624.db2.gz HKLGBOKQAFPFSR-VAQLIOGMSA-N 2 1 252.402 2.159 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2scnc2C)[C@H](C)C1 ZINC000449466548 282247563 /nfs/dbraw/zinc/24/75/63/282247563.db2.gz HFTFSXHMKQDYMT-DGCLKSJQSA-N 2 1 267.442 2.314 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000414833123 290680469 /nfs/dbraw/zinc/68/04/69/290680469.db2.gz GFMMOIDLVZBIPF-CYBMUJFWSA-N 2 1 279.403 2.371 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000044517733 343473188 /nfs/dbraw/zinc/47/31/88/343473188.db2.gz PYINTLCKJXBIIT-OFQRWUPVSA-N 3 1 267.461 2.037 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)CC1 ZINC000044517733 343473190 /nfs/dbraw/zinc/47/31/90/343473190.db2.gz PYINTLCKJXBIIT-OFQRWUPVSA-N 2 1 267.461 2.037 20 0 CEADMP NC(=O)c1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000336696254 365763893 /nfs/dbraw/zinc/76/38/93/365763893.db2.gz AVEXBXVIBXFYLJ-UHFFFAOYSA-N 2 1 297.402 2.137 20 0 CEADMP NC(=O)c1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000336696254 365763895 /nfs/dbraw/zinc/76/38/95/365763895.db2.gz AVEXBXVIBXFYLJ-UHFFFAOYSA-N 2 1 297.402 2.137 20 0 CEADMP COCC(COC)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449547765 282279550 /nfs/dbraw/zinc/27/95/50/282279550.db2.gz YRWBWDHTRIYDAJ-PBHICJAKSA-N 2 1 298.471 2.281 20 0 CEADMP CC[N@H+](CCCn1cc[nH+]c1C)C[C@@H]1CCCO1 ZINC000336705506 365770108 /nfs/dbraw/zinc/77/01/08/365770108.db2.gz JPTRUTHNXIZCSS-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP CC[N@@H+](CCCn1cc[nH+]c1C)C[C@@H]1CCCO1 ZINC000336705506 365770112 /nfs/dbraw/zinc/77/01/12/365770112.db2.gz JPTRUTHNXIZCSS-AWEZNQCLSA-N 2 1 251.374 2.083 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCOCC2)C[C@H]1C ZINC000336706415 365772179 /nfs/dbraw/zinc/77/21/79/365772179.db2.gz JWFMJBLDYILHLI-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCOCC2)C[C@H]1C ZINC000336706415 365772183 /nfs/dbraw/zinc/77/21/83/365772183.db2.gz JWFMJBLDYILHLI-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCOCC2)C[C@H]1C ZINC000336706415 365772188 /nfs/dbraw/zinc/77/21/88/365772188.db2.gz JWFMJBLDYILHLI-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@H](C)[NH+](C)C)C1 ZINC000449556415 282282109 /nfs/dbraw/zinc/28/21/09/282282109.db2.gz MIVCSNGJMWWKPF-UXLLHSPISA-N 2 1 275.440 2.362 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@H](C)[NH+](C)C)C1 ZINC000449556415 282282110 /nfs/dbraw/zinc/28/21/10/282282110.db2.gz MIVCSNGJMWWKPF-UXLLHSPISA-N 2 1 275.440 2.362 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC2CC2)C[C@H]1C ZINC000336712530 365776385 /nfs/dbraw/zinc/77/63/85/365776385.db2.gz OPVUYYIYQAXGKE-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC2CC2)C[C@H]1C ZINC000336712530 365776386 /nfs/dbraw/zinc/77/63/86/365776386.db2.gz OPVUYYIYQAXGKE-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC2CC2)C[C@H]1C ZINC000336712530 365776387 /nfs/dbraw/zinc/77/63/87/365776387.db2.gz OPVUYYIYQAXGKE-UKRRQHHQSA-N 2 1 254.418 2.218 20 0 CEADMP CCCC[C@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560697 282284015 /nfs/dbraw/zinc/28/40/15/282284015.db2.gz OOINBSGYLRZBNP-FFHGMXDLSA-N 2 1 254.418 2.406 20 0 CEADMP c1ccc(COCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000336725130 365786597 /nfs/dbraw/zinc/78/65/97/365786597.db2.gz XUWAAPBDENUKKF-IAGOWNOFSA-N 2 1 274.408 2.135 20 0 CEADMP CCOCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000336734614 365792891 /nfs/dbraw/zinc/79/28/91/365792891.db2.gz WFYVKUZIXGPYPJ-UHFFFAOYSA-N 2 1 254.418 2.363 20 0 CEADMP CCC[N@@H+](C[C@H]1CCCC[C@H]1O)C1CC[NH2+]CC1 ZINC000328512231 539351827 /nfs/dbraw/zinc/35/18/27/539351827.db2.gz OFFWONYUPSKOAO-UKRRQHHQSA-N 2 1 254.418 2.002 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCCC1)C1CCC(CO)CC1 ZINC000161962345 529887110 /nfs/dbraw/zinc/88/71/10/529887110.db2.gz VMAUOZZUWBVKGT-UHFFFAOYSA-N 2 1 268.445 2.345 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@](C)(c2ccccc2)C1)C1CC1 ZINC000351531465 219118304 /nfs/dbraw/zinc/11/83/04/219118304.db2.gz DDYGFBSXLBLLTB-ROUUACIJSA-N 2 1 288.435 2.105 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@](C)(c2ccccc2)C1)C1CC1 ZINC000351531465 219118306 /nfs/dbraw/zinc/11/83/06/219118306.db2.gz DDYGFBSXLBLLTB-ROUUACIJSA-N 2 1 288.435 2.105 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@](C)(c2ccccc2)C1)C1CC1 ZINC000351531465 219118307 /nfs/dbraw/zinc/11/83/07/219118307.db2.gz DDYGFBSXLBLLTB-ROUUACIJSA-N 2 1 288.435 2.105 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@](C)(c2ccccc2)C1)C1CC1 ZINC000351531465 219118309 /nfs/dbraw/zinc/11/83/09/219118309.db2.gz DDYGFBSXLBLLTB-ROUUACIJSA-N 2 1 288.435 2.105 20 0 CEADMP COCc1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)cs1 ZINC000075644973 343860662 /nfs/dbraw/zinc/86/06/62/343860662.db2.gz BSQWDSKVWGHXQZ-UHFFFAOYSA-N 2 1 297.468 2.453 20 0 CEADMP C[N@@H+](C[C@@H](O)C1CCCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000354844381 529941776 /nfs/dbraw/zinc/94/17/76/529941776.db2.gz CGQUOXRZOBERNS-GOEBONIOSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+](C[C@@H](O)C1CCCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000354844381 529941777 /nfs/dbraw/zinc/94/17/77/529941777.db2.gz CGQUOXRZOBERNS-GOEBONIOSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+](C[C@@H](O)C1CCCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000354844381 529941779 /nfs/dbraw/zinc/94/17/79/529941779.db2.gz CGQUOXRZOBERNS-GOEBONIOSA-N 2 1 268.445 2.201 20 0 CEADMP CC(C)C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000048329462 362256352 /nfs/dbraw/zinc/25/63/52/362256352.db2.gz XRHGAMQQIXDZML-UHFFFAOYSA-N 2 1 275.440 2.180 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000351574604 219132681 /nfs/dbraw/zinc/13/26/81/219132681.db2.gz PMVDTMHEBXNOMG-RHSMWYFYSA-N 2 1 290.451 2.397 20 0 CEADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000351574604 219132683 /nfs/dbraw/zinc/13/26/83/219132683.db2.gz PMVDTMHEBXNOMG-RHSMWYFYSA-N 2 1 290.451 2.397 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000093394724 344222508 /nfs/dbraw/zinc/22/25/08/344222508.db2.gz QNMGGFCSDPZOFO-OAHLLOKOSA-N 2 1 266.429 2.121 20 0 CEADMP C[NH2+]CCC[N@H+](C)CCOc1cccc(Cl)c1 ZINC000124899141 529964611 /nfs/dbraw/zinc/96/46/11/529964611.db2.gz LDSYRNXNWNHAQI-UHFFFAOYSA-N 2 1 256.777 2.260 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000124899141 529964612 /nfs/dbraw/zinc/96/46/12/529964612.db2.gz LDSYRNXNWNHAQI-UHFFFAOYSA-N 2 1 256.777 2.260 20 0 CEADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000130529619 344353438 /nfs/dbraw/zinc/35/34/38/344353438.db2.gz FVMSJFKULQGCSO-ZFWWWQNUSA-N 2 1 262.397 2.255 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122900541 344308067 /nfs/dbraw/zinc/30/80/67/344308067.db2.gz NKVQSZOWGRHKSS-KGLIPLIRSA-N 2 1 270.417 2.169 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH2+]C(C)C ZINC000166369489 344476082 /nfs/dbraw/zinc/47/60/82/344476082.db2.gz KXLJBDSAFFPYMR-HNNXBMFYSA-N 2 1 283.460 2.145 20 0 CEADMP C[N@H+]1CCC[C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000227539941 344554106 /nfs/dbraw/zinc/55/41/06/344554106.db2.gz PYUCZJFQGCKPLJ-DAXOMENPSA-N 2 1 259.397 2.063 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)cc2F)C1 ZINC000228596271 344561750 /nfs/dbraw/zinc/56/17/50/344561750.db2.gz PHSLCWFTJQQRNM-GFCCVEGCSA-N 2 1 266.360 2.266 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)cc2F)C1 ZINC000228596271 344561751 /nfs/dbraw/zinc/56/17/51/344561751.db2.gz PHSLCWFTJQQRNM-GFCCVEGCSA-N 2 1 266.360 2.266 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000050248971 362413147 /nfs/dbraw/zinc/41/31/47/362413147.db2.gz RTRNCARZEJPDJB-NSHDSACASA-N 2 1 292.408 2.011 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000252107157 344638393 /nfs/dbraw/zinc/63/83/93/344638393.db2.gz JBHDLXRRQXTWPE-XJFOESAGSA-N 2 1 252.402 2.016 20 0 CEADMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(C)C ZINC000669424851 539403368 /nfs/dbraw/zinc/40/33/68/539403368.db2.gz AGCHWFQOBBUOLY-DKUMPPAJSA-N 2 1 254.418 2.262 20 0 CEADMP CC[N@@H+](C[C@@H]1CCCC[C@H]1O)[C@H]1CCC[NH2+]CC1 ZINC000568051452 299113739 /nfs/dbraw/zinc/11/37/39/299113739.db2.gz MQWVEOFKWAPCJO-SOUVJXGZSA-N 2 1 254.418 2.002 20 0 CEADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CC[C@@H](C)O2)CC1 ZINC000336784272 365802596 /nfs/dbraw/zinc/80/25/96/365802596.db2.gz NWRJCYMGNFXSLG-UKRRQHHQSA-N 2 1 254.418 2.359 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000568050833 299113972 /nfs/dbraw/zinc/11/39/72/299113972.db2.gz IDIPSDSVKSJEKT-GUYCJALGSA-N 2 1 274.408 2.332 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)n(-c2cc[nH+]cc2)n1 ZINC000668113961 539419293 /nfs/dbraw/zinc/41/92/93/539419293.db2.gz FVNBNHLAOZUNLW-IRXDYDNUSA-N 2 1 298.390 2.411 20 0 CEADMP Cc1noc(C2CCC([NH2+]CC3=CC[N@@H+](C)CC3)CC2)n1 ZINC000292160689 282393063 /nfs/dbraw/zinc/39/30/63/282393063.db2.gz NOEQKSLGRRVUFV-UHFFFAOYSA-N 2 1 290.411 2.256 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c2ccccc21 ZINC000591580654 345266949 /nfs/dbraw/zinc/26/69/49/345266949.db2.gz HTSNFOTYDYTICX-KCPJHIHWSA-N 2 1 276.380 2.105 20 0 CEADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCOC1 ZINC000375702029 282393335 /nfs/dbraw/zinc/39/33/35/282393335.db2.gz GCYKXEAXHUWEQS-INIZCTEOSA-N 2 1 275.396 2.019 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CC(C)C ZINC000568165326 299118591 /nfs/dbraw/zinc/11/85/91/299118591.db2.gz LAYVZWRFISTEBI-GJZGRUSLSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1CC(C)C ZINC000568165326 299118593 /nfs/dbraw/zinc/11/85/93/299118593.db2.gz LAYVZWRFISTEBI-GJZGRUSLSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1CC(C)C ZINC000568165326 299118596 /nfs/dbraw/zinc/11/85/96/299118596.db2.gz LAYVZWRFISTEBI-GJZGRUSLSA-N 2 1 256.434 2.200 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)[C@@H]1SC ZINC000592394934 345349530 /nfs/dbraw/zinc/34/95/30/345349530.db2.gz NLZNPNNEYKXNRZ-JTAWPXLSSA-N 2 1 298.496 2.358 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000037197132 232175351 /nfs/dbraw/zinc/17/53/51/232175351.db2.gz KVAOKHZZQDPZEV-UHFFFAOYSA-N 2 1 274.412 2.320 20 0 CEADMP COC(=O)CC1(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000592491895 345360163 /nfs/dbraw/zinc/36/01/63/345360163.db2.gz PVYRGMOEENETMK-LSDHHAIUSA-N 2 1 294.439 2.041 20 0 CEADMP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000592493464 345360388 /nfs/dbraw/zinc/36/03/88/345360388.db2.gz QOBFPQBTUBNLAW-JYJNAYRXSA-N 2 1 294.439 2.040 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000295118441 199354298 /nfs/dbraw/zinc/35/42/98/199354298.db2.gz WZHCWIFDHQGKDU-MQVJKMGUSA-N 2 1 288.391 2.188 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000295118441 199354300 /nfs/dbraw/zinc/35/43/00/199354300.db2.gz WZHCWIFDHQGKDU-MQVJKMGUSA-N 2 1 288.391 2.188 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000623086300 349933446 /nfs/dbraw/zinc/93/34/46/349933446.db2.gz IRJKTTAAABRUSV-UHFFFAOYSA-N 2 1 281.363 2.143 20 0 CEADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000594510661 345641004 /nfs/dbraw/zinc/64/10/04/345641004.db2.gz AHOFSCQBNOYKRP-CQSZACIVSA-N 2 1 284.444 2.284 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000623086553 349933716 /nfs/dbraw/zinc/93/37/16/349933716.db2.gz ZGRZGWSVHBZXQS-UHFFFAOYSA-N 2 1 299.353 2.282 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000336786574 365805605 /nfs/dbraw/zinc/80/56/05/365805605.db2.gz IQAUAQKJQJAUCW-UONOGXRCSA-N 2 1 256.434 2.057 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000623086459 349933893 /nfs/dbraw/zinc/93/38/93/349933893.db2.gz SBFRQKLRWMAMAR-UHFFFAOYSA-N 2 1 289.770 2.054 20 0 CEADMP CSCC1(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000595069760 345739447 /nfs/dbraw/zinc/73/94/47/345739447.db2.gz KNOTVRRHJNPIFK-HNNXBMFYSA-N 2 1 298.496 2.363 20 0 CEADMP CCC(CC)(CC)C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000679996806 539485392 /nfs/dbraw/zinc/48/53/92/539485392.db2.gz CXJDSWSKYNLCLL-HNNXBMFYSA-N 2 1 297.487 2.380 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000594917864 345701506 /nfs/dbraw/zinc/70/15/06/345701506.db2.gz KZOIIOXJCPPJSF-LXTVHRRPSA-N 2 1 282.428 2.038 20 0 CEADMP CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000595447674 345784442 /nfs/dbraw/zinc/78/44/42/345784442.db2.gz IFMOAYNOSAXDKT-QLFBSQMISA-N 2 1 288.501 2.341 20 0 CEADMP CO[C@](C)(C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000336787881 365807100 /nfs/dbraw/zinc/80/71/00/365807100.db2.gz GDCMMANPCDRIIH-DDHJSBNISA-N 2 1 254.418 2.120 20 0 CEADMP CSC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCOCC1 ZINC000598962294 346438244 /nfs/dbraw/zinc/43/82/44/346438244.db2.gz UQNXUUYQLRSTJT-ZDUSSCGKSA-N 2 1 286.485 2.361 20 0 CEADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(CC(=O)OC)CC1 ZINC000599026001 346448521 /nfs/dbraw/zinc/44/85/21/346448521.db2.gz HABIVXNPPZLAHZ-WLYUNCDWSA-N 2 1 284.444 2.428 20 0 CEADMP COC(=O)c1csc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000602592002 347091390 /nfs/dbraw/zinc/09/13/90/347091390.db2.gz GGFNOPCRCGRSKI-UHFFFAOYSA-N 2 1 282.409 2.110 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1SC ZINC000598982427 346441264 /nfs/dbraw/zinc/44/12/64/346441264.db2.gz VFICLBBAGIXQCI-DGAVXFQQSA-N 2 1 286.485 2.358 20 0 CEADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H](C)C[NH+](C)C)c1C ZINC000598981518 346441482 /nfs/dbraw/zinc/44/14/82/346441482.db2.gz YPOFYGGDMGTGJD-NSHDSACASA-N 2 1 295.427 2.096 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000599070059 346456145 /nfs/dbraw/zinc/45/61/45/346456145.db2.gz JSJOSZIYIKGYGH-ZIAGYGMSSA-N 2 1 284.444 2.428 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000336791321 365813056 /nfs/dbraw/zinc/81/30/56/365813056.db2.gz NBHSMYVZLDUROF-GJZGRUSLSA-N 3 1 255.450 2.358 20 0 CEADMP COC1(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000336795552 365817792 /nfs/dbraw/zinc/81/77/92/365817792.db2.gz LJCZMMWYJUTTON-ZIAGYGMSSA-N 2 1 252.402 2.162 20 0 CEADMP c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000063200164 362760211 /nfs/dbraw/zinc/76/02/11/362760211.db2.gz JTYPKZLBMOTCTM-ZDUSSCGKSA-N 2 1 251.399 2.107 20 0 CEADMP COC(=O)CCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000599333905 346500438 /nfs/dbraw/zinc/50/04/38/346500438.db2.gz BQNKEHHZDHVIIA-HOCLYGCPSA-N 2 1 294.439 2.278 20 0 CEADMP COC(=O)CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000599333905 346500441 /nfs/dbraw/zinc/50/04/41/346500441.db2.gz BQNKEHHZDHVIIA-HOCLYGCPSA-N 2 1 294.439 2.278 20 0 CEADMP COC(=O)CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000599333905 346500442 /nfs/dbraw/zinc/50/04/42/346500442.db2.gz BQNKEHHZDHVIIA-HOCLYGCPSA-N 2 1 294.439 2.278 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336800314 365828558 /nfs/dbraw/zinc/82/85/58/365828558.db2.gz LSELKWZXLFSLDV-GJZGRUSLSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336800314 365828567 /nfs/dbraw/zinc/82/85/67/365828567.db2.gz LSELKWZXLFSLDV-GJZGRUSLSA-N 2 1 263.385 2.083 20 0 CEADMP CCC1(O)CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000336800709 365831180 /nfs/dbraw/zinc/83/11/80/365831180.db2.gz NHXNXNIZIMLQKK-UHFFFAOYSA-N 2 1 265.401 2.209 20 0 CEADMP CCC[NH+]1CCC(Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000339237632 215031861 /nfs/dbraw/zinc/03/18/61/215031861.db2.gz UYZHNHNQWWBCOF-UHFFFAOYSA-N 2 1 259.357 2.244 20 0 CEADMP COC(=O)CCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000600708589 346675115 /nfs/dbraw/zinc/67/51/15/346675115.db2.gz DLBIPTXCTXRRHB-GJZGRUSLSA-N 2 1 282.428 2.041 20 0 CEADMP COC(=O)CCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000600708597 346675228 /nfs/dbraw/zinc/67/52/28/346675228.db2.gz DLBIPTXCTXRRHB-LSDHHAIUSA-N 2 1 282.428 2.041 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000600964103 346720930 /nfs/dbraw/zinc/72/09/30/346720930.db2.gz UTXQSIPKDTUOPD-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)SCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000336809455 365847216 /nfs/dbraw/zinc/84/72/16/365847216.db2.gz VJTPGMQFWNQUBA-UHFFFAOYSA-N 2 1 287.517 2.086 20 0 CEADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@H]1CCOC1 ZINC000128447488 187371233 /nfs/dbraw/zinc/37/12/33/187371233.db2.gz OGINRFAPSTUEMQ-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000236917084 370654864 /nfs/dbraw/zinc/65/48/64/370654864.db2.gz FKMJHZTVHKVRJN-KFWWJZLASA-N 2 1 297.487 2.377 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+](C)CCN(C)c1ccccc1 ZINC000336823241 365876491 /nfs/dbraw/zinc/87/64/91/365876491.db2.gz OSFAZUGAVSFIGA-UHFFFAOYSA-N 2 1 272.396 2.260 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+](C)CCN(C)c1ccccc1 ZINC000336823241 365876495 /nfs/dbraw/zinc/87/64/95/365876495.db2.gz OSFAZUGAVSFIGA-UHFFFAOYSA-N 2 1 272.396 2.260 20 0 CEADMP COC(=O)c1cc(C[NH2+]CCC[N@H+](C)CC(C)C)[nH]c1C ZINC000602699238 347155506 /nfs/dbraw/zinc/15/55/06/347155506.db2.gz LCGWTBZIMJIHQG-UHFFFAOYSA-N 2 1 295.427 2.177 20 0 CEADMP COC(=O)c1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)[nH]c1C ZINC000602699238 347155509 /nfs/dbraw/zinc/15/55/09/347155509.db2.gz LCGWTBZIMJIHQG-UHFFFAOYSA-N 2 1 295.427 2.177 20 0 CEADMP Cc1cnc(C[N@@H+](CCC[NH3+])CC2CCCC2)cn1 ZINC000352487587 302341602 /nfs/dbraw/zinc/34/16/02/302341602.db2.gz GOYUDAFSDWNGDI-UHFFFAOYSA-N 2 1 262.401 2.126 20 0 CEADMP C[C@@H]1C[C@H](C(=O)NCCC[NH+]2CCCCCC2)CC[N@H+]1C ZINC000351812734 219214804 /nfs/dbraw/zinc/21/48/04/219214804.db2.gz SNPIOAWDMRIBSF-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP COc1ccc(COCC[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000603557277 347380050 /nfs/dbraw/zinc/38/00/50/347380050.db2.gz DAGBVEUUSNFOOK-MRXNPFEDSA-N 2 1 292.423 2.095 20 0 CEADMP COc1ccc(COCC[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000603557277 347380052 /nfs/dbraw/zinc/38/00/52/347380052.db2.gz DAGBVEUUSNFOOK-MRXNPFEDSA-N 2 1 292.423 2.095 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)C[C@@H]1c1ccccc1 ZINC000453419054 539562549 /nfs/dbraw/zinc/56/25/49/539562549.db2.gz WKCTXXXLNLZSBU-YLFCFFPRSA-N 2 1 274.408 2.325 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)C[C@@H]1c1ccccc1 ZINC000453419054 539562556 /nfs/dbraw/zinc/56/25/56/539562556.db2.gz WKCTXXXLNLZSBU-YLFCFFPRSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H](F)CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000351834080 219220733 /nfs/dbraw/zinc/22/07/33/219220733.db2.gz KCHNMAPACKIMJB-RDJZCZTQSA-N 2 1 294.414 2.303 20 0 CEADMP C[C@H](F)CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000351834080 219220734 /nfs/dbraw/zinc/22/07/34/219220734.db2.gz KCHNMAPACKIMJB-RDJZCZTQSA-N 2 1 294.414 2.303 20 0 CEADMP C[C@H](F)CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000351834080 219220735 /nfs/dbraw/zinc/22/07/35/219220735.db2.gz KCHNMAPACKIMJB-RDJZCZTQSA-N 2 1 294.414 2.303 20 0 CEADMP C[C@H](F)CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000351834080 219220736 /nfs/dbraw/zinc/22/07/36/219220736.db2.gz KCHNMAPACKIMJB-RDJZCZTQSA-N 2 1 294.414 2.303 20 0 CEADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000129621462 365879053 /nfs/dbraw/zinc/87/90/53/365879053.db2.gz YIUWRHMRHHAOLP-ILXRZTDVSA-N 2 1 292.427 2.021 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2(O)CCCCCC2)CC[N@H+]1C ZINC000129796777 365895282 /nfs/dbraw/zinc/89/52/82/365895282.db2.gz GMHBSZJLPRPOCL-KBPBESRZSA-N 2 1 254.418 2.144 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)CCc1ccccc1 ZINC000273310427 192107617 /nfs/dbraw/zinc/10/76/17/192107617.db2.gz WKQNSTQTQQPNSC-JOCBIADPSA-N 2 1 290.451 2.298 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC000130002897 365916712 /nfs/dbraw/zinc/91/67/12/365916712.db2.gz MNTRHNBVXJIEEA-UHFFFAOYSA-N 2 1 290.367 2.151 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000334145472 539585136 /nfs/dbraw/zinc/58/51/36/539585136.db2.gz LOFWCERKFOCAQM-KRWDZBQOSA-N 2 1 287.407 2.221 20 0 CEADMP C[N@@H+](CCCOCc1ccccc1)CC(C)(C)[NH3+] ZINC000339413069 215157580 /nfs/dbraw/zinc/15/75/80/215157580.db2.gz RPWPXYCMIKXDGL-UHFFFAOYSA-N 2 1 250.386 2.262 20 0 CEADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000614335133 348182082 /nfs/dbraw/zinc/18/20/82/348182082.db2.gz MAZCBNHOBGEKJC-YHUYYLMFSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459665679 290206745 /nfs/dbraw/zinc/20/67/45/290206745.db2.gz QXJDQDXYBXMGKH-OTVXOJSOSA-N 2 1 252.402 2.159 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615605793 348359975 /nfs/dbraw/zinc/35/99/75/348359975.db2.gz JAWZXLIGZLHMPM-YOEHRIQHSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](C)[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000456513636 539636108 /nfs/dbraw/zinc/63/61/08/539636108.db2.gz BFJRSJWOWBWZMK-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C2 ZINC000623354277 349997065 /nfs/dbraw/zinc/99/70/65/349997065.db2.gz LQVDANYCKJFUHN-GJZGRUSLSA-N 2 1 288.439 2.105 20 0 CEADMP CC(C)C1([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000339502033 215212899 /nfs/dbraw/zinc/21/28/99/215212899.db2.gz MPFFZVWPHKFUIS-UHFFFAOYSA-N 2 1 253.415 2.483 20 0 CEADMP Cc1c[nH]nc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339501690 215213507 /nfs/dbraw/zinc/21/35/07/215213507.db2.gz YZFRYAIQEONOOT-UHFFFAOYSA-N 2 1 250.390 2.074 20 0 CEADMP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339073973 539657847 /nfs/dbraw/zinc/65/78/47/539657847.db2.gz HEYWJPWPFUTIBD-GJZGRUSLSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@@H+](CCN[C@@H]1CC[NH+]2CCC[C@H]2C1)C1CCCCC1 ZINC000339065369 539659419 /nfs/dbraw/zinc/65/94/19/539659419.db2.gz AKTXMFSQWSNVJA-WBVHZDCISA-N 2 1 279.472 2.467 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000339065369 539659425 /nfs/dbraw/zinc/65/94/25/539659425.db2.gz AKTXMFSQWSNVJA-WBVHZDCISA-N 2 1 279.472 2.467 20 0 CEADMP C[NH+](CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000339065369 539659431 /nfs/dbraw/zinc/65/94/31/539659431.db2.gz AKTXMFSQWSNVJA-WBVHZDCISA-N 2 1 279.472 2.467 20 0 CEADMP C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000339070206 539659643 /nfs/dbraw/zinc/65/96/43/539659643.db2.gz ZLQYDBZQWAFAPP-NCOADZHNSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000339070206 539659650 /nfs/dbraw/zinc/65/96/50/539659650.db2.gz ZLQYDBZQWAFAPP-NCOADZHNSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](CN[C@H]1CC[NH+]2CCC[C@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000339070206 539659656 /nfs/dbraw/zinc/65/96/56/539659656.db2.gz ZLQYDBZQWAFAPP-NCOADZHNSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[NH+](C)C ZINC000617757935 348782309 /nfs/dbraw/zinc/78/23/09/348782309.db2.gz DKFHSFDPURIEJP-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP CCC(C)(C)[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000568834745 299157290 /nfs/dbraw/zinc/15/72/90/299157290.db2.gz DLURWWPCOXDRAO-CQSZACIVSA-N 2 1 269.477 2.427 20 0 CEADMP C[C@@H](CNC(=O)CC[N@H+]1CCCC[C@@H]1C)C[NH+]1CCCC1 ZINC000339262790 539680736 /nfs/dbraw/zinc/68/07/36/539680736.db2.gz JFTYDCLMGRNUAZ-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000618990641 349088712 /nfs/dbraw/zinc/08/87/12/349088712.db2.gz MNRSKLXZEQWVAM-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000352011699 219289282 /nfs/dbraw/zinc/28/92/82/219289282.db2.gz CLJSYLPJBSMGLP-JKSUJKDBSA-N 2 1 297.487 2.440 20 0 CEADMP C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)SC1CCCCC1 ZINC000619716309 349226515 /nfs/dbraw/zinc/22/65/15/349226515.db2.gz IVRMGXYOLNEOTA-BETUJISGSA-N 2 1 254.443 2.204 20 0 CEADMP CCCC[C@@H](CC)CC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000339408133 539740555 /nfs/dbraw/zinc/74/05/55/539740555.db2.gz QJTQDEKWZDOCPJ-HZPDHXFCSA-N 2 1 297.487 2.380 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1O ZINC000411441259 233247660 /nfs/dbraw/zinc/24/76/60/233247660.db2.gz PGWVLTHGYKUEEP-CRAIPNDOSA-N 2 1 288.435 2.485 20 0 CEADMP CCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339666327 215289924 /nfs/dbraw/zinc/28/99/24/215289924.db2.gz VGPLJRYYWFKKKA-YIONKMFJSA-N 2 1 254.418 2.360 20 0 CEADMP CCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339666327 215289926 /nfs/dbraw/zinc/28/99/26/215289926.db2.gz VGPLJRYYWFKKKA-YIONKMFJSA-N 2 1 254.418 2.360 20 0 CEADMP CCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339666327 215289930 /nfs/dbraw/zinc/28/99/30/215289930.db2.gz VGPLJRYYWFKKKA-YIONKMFJSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(CO)cc2)CC1(C)C ZINC000623484441 350031559 /nfs/dbraw/zinc/03/15/59/350031559.db2.gz RPIIQGPTWPSBSS-MRXNPFEDSA-N 2 1 276.424 2.184 20 0 CEADMP C[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623381664 350005544 /nfs/dbraw/zinc/00/55/44/350005544.db2.gz ADRIFPPEBGQENX-MNOVXSKESA-N 2 1 282.350 2.416 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)c2ccccc2)CC1(C)C ZINC000623420746 350016162 /nfs/dbraw/zinc/01/61/62/350016162.db2.gz NRIYBLLZGBGBJN-CABCVRRESA-N 2 1 262.397 2.182 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)c2ccccc2)CC1(C)C ZINC000623420746 350016166 /nfs/dbraw/zinc/01/61/66/350016166.db2.gz NRIYBLLZGBGBJN-CABCVRRESA-N 2 1 262.397 2.182 20 0 CEADMP CN(C(=O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623439570 350021154 /nfs/dbraw/zinc/02/11/54/350021154.db2.gz OWQJLLHEGPZWNU-CQSZACIVSA-N 2 1 295.471 2.240 20 0 CEADMP CN(C(=O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623439570 350021157 /nfs/dbraw/zinc/02/11/57/350021157.db2.gz OWQJLLHEGPZWNU-CQSZACIVSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CCCCC2)CC1(C)C ZINC000623442270 350022214 /nfs/dbraw/zinc/02/22/14/350022214.db2.gz HMKGOJQDFGUCQU-AWEZNQCLSA-N 2 1 268.445 2.392 20 0 CEADMP CC(C)CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623645700 350073403 /nfs/dbraw/zinc/07/34/03/350073403.db2.gz KVRINOBAFFTFJP-KBPBESRZSA-N 2 1 256.434 2.246 20 0 CEADMP CC(C)n1cc(CNC[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623656063 350076496 /nfs/dbraw/zinc/07/64/96/350076496.db2.gz MELPMKKNDXDPSZ-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP CC(C)n1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cn1 ZINC000623656063 350076500 /nfs/dbraw/zinc/07/65/00/350076500.db2.gz MELPMKKNDXDPSZ-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP CC(C)n1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623656063 350076502 /nfs/dbraw/zinc/07/65/02/350076502.db2.gz MELPMKKNDXDPSZ-AWEZNQCLSA-N 2 1 264.417 2.286 20 0 CEADMP CCCn1nccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657337 350077410 /nfs/dbraw/zinc/07/74/10/350077410.db2.gz NYPKAOFQNLFRQY-CQSZACIVSA-N 2 1 264.417 2.115 20 0 CEADMP CCCn1nccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657337 350077411 /nfs/dbraw/zinc/07/74/11/350077411.db2.gz NYPKAOFQNLFRQY-CQSZACIVSA-N 2 1 264.417 2.115 20 0 CEADMP CO[C@@H](CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(F)(F)F ZINC000623504695 350036192 /nfs/dbraw/zinc/03/61/92/350036192.db2.gz ZSLCYXCRHFLYEZ-QWRGUYRKSA-N 2 1 282.350 2.416 20 0 CEADMP CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623541522 350045174 /nfs/dbraw/zinc/04/51/74/350045174.db2.gz NNTUEKMNMAZGOL-YUTCNCBUSA-N 2 1 254.418 2.262 20 0 CEADMP CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623558995 350050617 /nfs/dbraw/zinc/05/06/17/350050617.db2.gz PIIVUHZXZFRMLN-MJBXVCDLSA-N 2 1 256.434 2.246 20 0 CEADMP COCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000090720300 180030134 /nfs/dbraw/zinc/03/01/34/180030134.db2.gz YUBPEWWCKKMXLM-XJKSGUPXSA-N 2 1 262.397 2.405 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000623879668 350133304 /nfs/dbraw/zinc/13/33/04/350133304.db2.gz MCPLYZNKRPHTIA-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000091354231 180138041 /nfs/dbraw/zinc/13/80/41/180138041.db2.gz JTGIQBYYYNRTRX-BPQIPLTHSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000091354231 180138042 /nfs/dbraw/zinc/13/80/42/180138042.db2.gz JTGIQBYYYNRTRX-BPQIPLTHSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000091354231 180138045 /nfs/dbraw/zinc/13/80/45/180138045.db2.gz JTGIQBYYYNRTRX-BPQIPLTHSA-N 2 1 287.451 2.333 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)[C@@H](C)C1 ZINC000624054620 350180714 /nfs/dbraw/zinc/18/07/14/350180714.db2.gz IYZOZWVABGZOSO-WBAXXEDZSA-N 2 1 288.435 2.448 20 0 CEADMP CC(C)CC[C@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000624110599 350197111 /nfs/dbraw/zinc/19/71/11/350197111.db2.gz BHORMTCDBSWOKU-IAGOWNOFSA-N 2 1 298.471 2.017 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000624120792 350199086 /nfs/dbraw/zinc/19/90/86/350199086.db2.gz HAQQFSZGBQSAMV-CABCVRRESA-N 3 1 267.461 2.038 20 0 CEADMP CCn1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000624121577 350200112 /nfs/dbraw/zinc/20/01/12/350200112.db2.gz YGYZFTSCHYSPML-UONOGXRCSA-N 2 1 264.417 2.286 20 0 CEADMP CCn1cc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000624121577 350200113 /nfs/dbraw/zinc/20/01/13/350200113.db2.gz YGYZFTSCHYSPML-UONOGXRCSA-N 2 1 264.417 2.286 20 0 CEADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CCCC12CC2 ZINC000624316617 350258832 /nfs/dbraw/zinc/25/88/32/350258832.db2.gz RXTQSMJTRTZSMM-GOEBONIOSA-N 2 1 278.440 2.410 20 0 CEADMP Cc1csc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000250942779 539782325 /nfs/dbraw/zinc/78/23/25/539782325.db2.gz XJLGSFSNQXNPSL-STQMWFEESA-N 2 1 265.426 2.210 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000352128794 219332091 /nfs/dbraw/zinc/33/20/91/219332091.db2.gz IHUIRAFDUKHYKX-KBPBESRZSA-N 2 1 295.427 2.165 20 0 CEADMP OCC[C@@H]1CCCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000342068677 539794421 /nfs/dbraw/zinc/79/44/21/539794421.db2.gz UDUWUCANLJDBQI-INIZCTEOSA-N 2 1 268.445 2.489 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C1CC1 ZINC000625209297 350429540 /nfs/dbraw/zinc/42/95/40/350429540.db2.gz HILYPHIALCAXJW-DOTOQJQBSA-N 2 1 280.456 2.465 20 0 CEADMP CCO[C@H](C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CC1 ZINC000625209297 350429544 /nfs/dbraw/zinc/42/95/44/350429544.db2.gz HILYPHIALCAXJW-DOTOQJQBSA-N 2 1 280.456 2.465 20 0 CEADMP CCO[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CC1 ZINC000625209297 350429548 /nfs/dbraw/zinc/42/95/48/350429548.db2.gz HILYPHIALCAXJW-DOTOQJQBSA-N 2 1 280.456 2.465 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](CCc2ccccn2)CC1 ZINC000105918387 186088704 /nfs/dbraw/zinc/08/87/04/186088704.db2.gz YVJALFSLZQXPMY-UHFFFAOYSA-N 2 1 284.407 2.312 20 0 CEADMP CCc1nn(C)cc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000092366001 180369229 /nfs/dbraw/zinc/36/92/29/180369229.db2.gz FPOMVCVCEHJSPP-UHFFFAOYSA-N 2 1 278.444 2.194 20 0 CEADMP CC(C)[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000130537950 365966364 /nfs/dbraw/zinc/96/63/64/365966364.db2.gz YAHNDFXPXCHDCL-HOTGVXAUSA-N 2 1 297.487 2.201 20 0 CEADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCOC3)CC2)cc1 ZINC000109429307 186252560 /nfs/dbraw/zinc/25/25/60/186252560.db2.gz WZVUWFNBAQCBMX-MRXNPFEDSA-N 2 1 260.381 2.030 20 0 CEADMP CC[N@@H+](CC[C@@H](C)O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063103 350645870 /nfs/dbraw/zinc/64/58/70/350645870.db2.gz RCVIVWNSIPUPGQ-CQSZACIVSA-N 2 1 264.413 2.341 20 0 CEADMP C[C@@]1(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CCCS1 ZINC000628217413 351009113 /nfs/dbraw/zinc/00/91/13/351009113.db2.gz VSZZPRSEFFQZJD-GJZGRUSLSA-N 2 1 286.485 2.099 20 0 CEADMP c1[nH]nc2cccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)c12 ZINC000628182029 350993213 /nfs/dbraw/zinc/99/32/13/350993213.db2.gz AHPVTFHACQKLRT-CQSZACIVSA-N 2 1 284.407 2.481 20 0 CEADMP CCC[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000131047890 366015251 /nfs/dbraw/zinc/01/52/51/366015251.db2.gz FPFJWRDBKKXUGZ-SFHVURJKSA-N 2 1 290.451 2.444 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](O)c1cccc(F)c1 ZINC000271427378 191130631 /nfs/dbraw/zinc/13/06/31/191130631.db2.gz BIZGHZKTIKQSRD-WBQNTZJQSA-N 2 1 292.398 2.464 20 0 CEADMP C[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000629544126 351404872 /nfs/dbraw/zinc/40/48/72/351404872.db2.gz GUJWHDNNRFRFEA-ZETCQYMHSA-N 2 1 264.316 2.464 20 0 CEADMP Fc1ccc2c(c1)OCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000629507678 351381000 /nfs/dbraw/zinc/38/10/00/351381000.db2.gz QLBIKDIEVKMKMP-UHFFFAOYSA-N 2 1 264.344 2.020 20 0 CEADMP CCO[C@@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)C1CC1 ZINC000629509226 351381859 /nfs/dbraw/zinc/38/18/59/351381859.db2.gz JUVMDCIZFFUTDW-HNNXBMFYSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1ccc(C(C)(C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)nc1 ZINC000629524312 351390341 /nfs/dbraw/zinc/39/03/41/351390341.db2.gz RFCVZKLIZDJWHZ-KGLIPLIRSA-N 2 1 261.413 2.398 20 0 CEADMP CCC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccnc1 ZINC000629525592 351390537 /nfs/dbraw/zinc/39/05/37/351390537.db2.gz XHGLOLWKXNCYME-CQSZACIVSA-N 2 1 263.385 2.020 20 0 CEADMP CCO[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000629533800 351396793 /nfs/dbraw/zinc/39/67/93/351396793.db2.gz WLQPZCYNKXEZAX-BZUAXINKSA-N 2 1 266.429 2.408 20 0 CEADMP CCO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000629533800 351396798 /nfs/dbraw/zinc/39/67/98/351396798.db2.gz WLQPZCYNKXEZAX-BZUAXINKSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000629390475 351347889 /nfs/dbraw/zinc/34/78/89/351347889.db2.gz HLTJCENYSQERIM-VHDGCEQUSA-N 2 1 290.407 2.467 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000629390403 351348523 /nfs/dbraw/zinc/34/85/23/351348523.db2.gz DYXBPHGIBIIVDL-TUKIKUTGSA-N 2 1 250.361 2.487 20 0 CEADMP C[C@@H]1[NH2+]CC[C@H]1NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000629408280 351354515 /nfs/dbraw/zinc/35/45/15/351354515.db2.gz SJRANPKENLQXMX-DOTOQJQBSA-N 2 1 289.467 2.485 20 0 CEADMP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074115 363027368 /nfs/dbraw/zinc/02/73/68/363027368.db2.gz XJDWUXUAMBUVMZ-UONOGXRCSA-N 2 1 275.396 2.074 20 0 CEADMP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542931 351404214 /nfs/dbraw/zinc/40/42/14/351404214.db2.gz PMZPESNHKJZQCS-MBNYWOFBSA-N 2 1 250.361 2.487 20 0 CEADMP c1ccc2c(c1)C=C(C[NH2+]CCC[NH2+]C1CC1)CO2 ZINC000629648643 351447830 /nfs/dbraw/zinc/44/78/30/351447830.db2.gz SUTYVCOTTJVNQK-UHFFFAOYSA-N 2 1 258.365 2.194 20 0 CEADMP COCc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)o1 ZINC000629649837 351448577 /nfs/dbraw/zinc/44/85/77/351448577.db2.gz HYFQGOHWMFGAGR-UHFFFAOYSA-N 2 1 278.327 2.314 20 0 CEADMP CC[C@H]1CCC[C@@H](C[N@@H+](C)CCOCC[NH2+]C)C1 ZINC000629654399 351452065 /nfs/dbraw/zinc/45/20/65/351452065.db2.gz QPOGXWMAGDPJNI-LSDHHAIUSA-N 2 1 256.434 2.371 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000629655459 351452463 /nfs/dbraw/zinc/45/24/63/351452463.db2.gz XCNUBDBCNRNURQ-UHFFFAOYSA-N 2 1 292.423 2.068 20 0 CEADMP C[N@@H+](CCOCC[NH3+])Cc1cnc(-c2cccs2)s1 ZINC000629666011 351457986 /nfs/dbraw/zinc/45/79/86/351457986.db2.gz ZWVOCYDJCAZVBM-UHFFFAOYSA-N 2 1 297.449 2.279 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)ccc1OC ZINC000629570162 351416970 /nfs/dbraw/zinc/41/69/70/351416970.db2.gz VAQPJHVJYPVRHD-UHFFFAOYSA-N 2 1 286.803 2.016 20 0 CEADMP CCOCC[N@@H+](CCC[NH3+])[C@@H]1CCc2ccccc21 ZINC000629575853 351419166 /nfs/dbraw/zinc/41/91/66/351419166.db2.gz QBZBDRMMGGQRSY-MRXNPFEDSA-N 2 1 262.397 2.361 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC000629571450 351419416 /nfs/dbraw/zinc/41/94/16/351419416.db2.gz MDSCLSDXUVUVAR-HUUCEWRRSA-N 2 1 256.434 2.371 20 0 CEADMP C[NH2+]CCOCC[N@H+](C)Cc1sccc1Cl ZINC000629572006 351419669 /nfs/dbraw/zinc/41/96/69/351419669.db2.gz LUWIAWGMKJZABT-UHFFFAOYSA-N 2 1 262.806 2.069 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1sccc1Cl ZINC000629572006 351419671 /nfs/dbraw/zinc/41/96/71/351419671.db2.gz LUWIAWGMKJZABT-UHFFFAOYSA-N 2 1 262.806 2.069 20 0 CEADMP O[C@H](C[NH2+][C@H]1CCCc2c(F)cccc21)C[NH+]1CCCC1 ZINC000629579199 351420301 /nfs/dbraw/zinc/42/03/01/351420301.db2.gz BQCLCOFJUKBEGE-DYVFJYSZSA-N 2 1 292.398 2.249 20 0 CEADMP C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000629580141 351421629 /nfs/dbraw/zinc/42/16/29/351421629.db2.gz NEUBUGWFRYGRLD-ZYHUDNBSSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000629580141 351421630 /nfs/dbraw/zinc/42/16/30/351421630.db2.gz NEUBUGWFRYGRLD-ZYHUDNBSSA-N 2 1 280.334 2.028 20 0 CEADMP CC1CCC(N(C)C(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])CC1 ZINC000070149648 363036712 /nfs/dbraw/zinc/03/67/12/363036712.db2.gz QIQYIUFYBJMAIZ-GPANFISMSA-N 2 1 295.471 2.227 20 0 CEADMP CC1CCC(N(C)C(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])CC1 ZINC000070149648 363036716 /nfs/dbraw/zinc/03/67/16/363036716.db2.gz QIQYIUFYBJMAIZ-GPANFISMSA-N 2 1 295.471 2.227 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000070170687 363043472 /nfs/dbraw/zinc/04/34/72/363043472.db2.gz MRIXABFCZCOZRB-HNNXBMFYSA-N 2 1 284.407 2.433 20 0 CEADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1 ZINC000070171946 363044891 /nfs/dbraw/zinc/04/48/91/363044891.db2.gz IBAFVLQHKQBRFE-OCCSQVGLSA-N 2 1 278.396 2.263 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000070173952 363046892 /nfs/dbraw/zinc/04/68/92/363046892.db2.gz NFRRLIGTPCQXGU-KGLIPLIRSA-N 2 1 275.396 2.074 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174243 363048570 /nfs/dbraw/zinc/04/85/70/363048570.db2.gz CIBXIVYLIVHASX-CVEARBPZSA-N 2 1 297.487 2.474 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174243 363048572 /nfs/dbraw/zinc/04/85/72/363048572.db2.gz CIBXIVYLIVHASX-CVEARBPZSA-N 2 1 297.487 2.474 20 0 CEADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000131388030 366048806 /nfs/dbraw/zinc/04/88/06/366048806.db2.gz UCOUKDDDJKGZIW-SFHVURJKSA-N 2 1 299.418 2.151 20 0 CEADMP Cc1nc(CC[N@H+](C)CCC[NH+]2CCCC2)cs1 ZINC000337200927 366071624 /nfs/dbraw/zinc/07/16/24/366071624.db2.gz CGWHTCRTLJFWNE-UHFFFAOYSA-N 2 1 267.442 2.412 20 0 CEADMP Cc1nc(CC[N@@H+](C)CCC[NH+]2CCCC2)cs1 ZINC000337200927 366071634 /nfs/dbraw/zinc/07/16/34/366071634.db2.gz CGWHTCRTLJFWNE-UHFFFAOYSA-N 2 1 267.442 2.412 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccccc1Cl ZINC000131703237 366079237 /nfs/dbraw/zinc/07/92/37/366079237.db2.gz MFFFNOQQPPFRHM-NEPJUHHUSA-N 2 1 268.788 2.388 20 0 CEADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccccc1Cl ZINC000131703237 366079244 /nfs/dbraw/zinc/07/92/44/366079244.db2.gz MFFFNOQQPPFRHM-NEPJUHHUSA-N 2 1 268.788 2.388 20 0 CEADMP CC(C)C[C@@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000678350406 539824089 /nfs/dbraw/zinc/82/40/89/539824089.db2.gz WHRXORGAFXICMJ-CVEARBPZSA-N 2 1 267.461 2.133 20 0 CEADMP C[C@@H](C[NH2+]Cc1ccnn1-c1ccccc1)C[NH+](C)C ZINC000291748424 198079204 /nfs/dbraw/zinc/07/92/04/198079204.db2.gz PVHROFQCMQMRED-AWEZNQCLSA-N 2 1 272.396 2.160 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)CC[N@H+]1C ZINC000630736966 351837359 /nfs/dbraw/zinc/83/73/59/351837359.db2.gz DFRPTTXSMXIRAM-FXUDXRNXSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000630736966 351837362 /nfs/dbraw/zinc/83/73/62/351837362.db2.gz DFRPTTXSMXIRAM-FXUDXRNXSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000630736966 351837365 /nfs/dbraw/zinc/83/73/65/351837365.db2.gz DFRPTTXSMXIRAM-FXUDXRNXSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](C[NH2+]Cc1ccnn1-c1ccc(F)cc1)C[NH+](C)C ZINC000291742341 198076688 /nfs/dbraw/zinc/07/66/88/198076688.db2.gz OZKLJGXXWINVPU-ZDUSSCGKSA-N 2 1 290.386 2.299 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)Cc2ccccc2)CC[N@@H+]1C ZINC000123733679 187106823 /nfs/dbraw/zinc/10/68/23/187106823.db2.gz NNDYUVWDXSRMSR-DJIMGWMZSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)Cc2ccccc2)CC[N@H+]1C ZINC000123733679 187106824 /nfs/dbraw/zinc/10/68/24/187106824.db2.gz NNDYUVWDXSRMSR-DJIMGWMZSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)Cc2ccccc2)CC[NH+]1C ZINC000123733679 187106825 /nfs/dbraw/zinc/10/68/25/187106825.db2.gz NNDYUVWDXSRMSR-DJIMGWMZSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)Cc2ccccc2)CC[NH+]1C ZINC000123733679 187106826 /nfs/dbraw/zinc/10/68/26/187106826.db2.gz NNDYUVWDXSRMSR-DJIMGWMZSA-N 2 1 276.424 2.005 20 0 CEADMP COCCc1ncc(C[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000631035130 351931038 /nfs/dbraw/zinc/93/10/38/351931038.db2.gz BGFJYVVIDQNVCH-UHFFFAOYSA-N 2 1 297.468 2.298 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC(C)(C)[NH3+])C1 ZINC000236917106 539826593 /nfs/dbraw/zinc/82/65/93/539826593.db2.gz DCMINXMLSMQSGH-CYBMUJFWSA-N 2 1 283.460 2.131 20 0 CEADMP COCCc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000631056475 351941028 /nfs/dbraw/zinc/94/10/28/351941028.db2.gz OGXHVFPWVMXMAQ-ZDUSSCGKSA-N 2 1 297.468 2.152 20 0 CEADMP COCCc1ncc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)s1 ZINC000631056475 351941032 /nfs/dbraw/zinc/94/10/32/351941032.db2.gz OGXHVFPWVMXMAQ-ZDUSSCGKSA-N 2 1 297.468 2.152 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC000631196231 352010279 /nfs/dbraw/zinc/01/02/79/352010279.db2.gz PGOYPZWWJLKCFQ-CRAIPNDOSA-N 2 1 298.434 2.278 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC000631196231 352010282 /nfs/dbraw/zinc/01/02/82/352010282.db2.gz PGOYPZWWJLKCFQ-CRAIPNDOSA-N 2 1 298.434 2.278 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)CC1(C)C ZINC000631262771 352045132 /nfs/dbraw/zinc/04/51/32/352045132.db2.gz UFQIDTQUMWWYQD-OPRDCNLKSA-N 2 1 250.308 2.400 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)CC1(C)C ZINC000631262771 352045137 /nfs/dbraw/zinc/04/51/37/352045137.db2.gz UFQIDTQUMWWYQD-OPRDCNLKSA-N 2 1 250.308 2.400 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCn3nccc32)CC1(C)C ZINC000631299238 352060198 /nfs/dbraw/zinc/06/01/98/352060198.db2.gz WSZVUENWSCEBJG-QWHCGFSZSA-N 2 1 262.401 2.180 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCn3nccc32)CC1(C)C ZINC000631299238 352060201 /nfs/dbraw/zinc/06/02/01/352060201.db2.gz WSZVUENWSCEBJG-QWHCGFSZSA-N 2 1 262.401 2.180 20 0 CEADMP Cn1nc2c(c1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])CCCC2 ZINC000335614345 282808761 /nfs/dbraw/zinc/80/87/61/282808761.db2.gz XRQRDAZYUVYFPK-ZFWWWQNUSA-N 2 1 276.428 2.049 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(NC(C)=O)c2)C1 ZINC000072858519 363170878 /nfs/dbraw/zinc/17/08/78/363170878.db2.gz ZMWSHOYQTQVURC-INIZCTEOSA-N 2 1 289.423 2.419 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(NC(C)=O)c2)C1 ZINC000072858519 363170883 /nfs/dbraw/zinc/17/08/83/363170883.db2.gz ZMWSHOYQTQVURC-INIZCTEOSA-N 2 1 289.423 2.419 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000072858519 363170889 /nfs/dbraw/zinc/17/08/89/363170889.db2.gz ZMWSHOYQTQVURC-INIZCTEOSA-N 2 1 289.423 2.419 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000072858519 363170896 /nfs/dbraw/zinc/17/08/96/363170896.db2.gz ZMWSHOYQTQVURC-INIZCTEOSA-N 2 1 289.423 2.419 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000072859254 363172825 /nfs/dbraw/zinc/17/28/25/363172825.db2.gz NCFWZMLCZSNIRW-OAHLLOKOSA-N 2 1 290.407 2.247 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000072859254 363172827 /nfs/dbraw/zinc/17/28/27/363172827.db2.gz NCFWZMLCZSNIRW-OAHLLOKOSA-N 2 1 290.407 2.247 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000072859254 363172828 /nfs/dbraw/zinc/17/28/28/363172828.db2.gz NCFWZMLCZSNIRW-OAHLLOKOSA-N 2 1 290.407 2.247 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000072859254 363172830 /nfs/dbraw/zinc/17/28/30/363172830.db2.gz NCFWZMLCZSNIRW-OAHLLOKOSA-N 2 1 290.407 2.247 20 0 CEADMP C[C@H](CO)[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000131725564 366083244 /nfs/dbraw/zinc/08/32/44/366083244.db2.gz IRPKBHXDGAGGQH-CVEARBPZSA-N 2 1 290.451 2.300 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(O)(CC)CC2)[C@H](C)C1 ZINC000678549466 539879686 /nfs/dbraw/zinc/87/96/86/539879686.db2.gz WLGDFAMNJNGUQA-YHNBSYBMSA-N 2 1 268.445 2.390 20 0 CEADMP CC(C)Cc1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000094901301 539887912 /nfs/dbraw/zinc/88/79/12/539887912.db2.gz ODFYBIAIULJKPB-UHFFFAOYSA-N 2 1 289.467 2.222 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)CCCC[NH3+])c1ccccc1 ZINC000292065476 198150287 /nfs/dbraw/zinc/15/02/87/198150287.db2.gz KMSMRSXOLUNHNX-GDBMZVCRSA-N 2 1 291.439 2.313 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCOC(C)(C)C)CC1 ZINC000669690569 539926551 /nfs/dbraw/zinc/92/65/51/539926551.db2.gz SSXNNVLXZKLYHV-UHFFFAOYSA-N 2 1 299.503 2.149 20 0 CEADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000669694229 539944706 /nfs/dbraw/zinc/94/47/06/539944706.db2.gz IMVNQVOBZBEJRW-OIISXLGYSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000669694229 539944708 /nfs/dbraw/zinc/94/47/08/539944708.db2.gz IMVNQVOBZBEJRW-OIISXLGYSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]CCCN1CCC(C)CC1 ZINC000336788265 295852148 /nfs/dbraw/zinc/85/21/48/295852148.db2.gz GTRBBHFLJNHKJX-HNNXBMFYSA-N 2 1 255.450 2.216 20 0 CEADMP CC[C@H]1C[N@H+](CCOc2ccccc2F)CC[C@H]1[NH3+] ZINC000251541731 539976505 /nfs/dbraw/zinc/97/65/05/539976505.db2.gz ATRREGDGRDAUKU-GXTWGEPZSA-N 2 1 266.360 2.264 20 0 CEADMP CC[C@H]1C[N@@H+](CCOc2ccccc2F)CC[C@H]1[NH3+] ZINC000251541731 539976508 /nfs/dbraw/zinc/97/65/08/539976508.db2.gz ATRREGDGRDAUKU-GXTWGEPZSA-N 2 1 266.360 2.264 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1O ZINC000156093527 188242905 /nfs/dbraw/zinc/24/29/05/188242905.db2.gz ALQOLQVXARLNGC-GJZGRUSLSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1O ZINC000156093527 188242906 /nfs/dbraw/zinc/24/29/06/188242906.db2.gz ALQOLQVXARLNGC-GJZGRUSLSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1O ZINC000156093527 188242907 /nfs/dbraw/zinc/24/29/07/188242907.db2.gz ALQOLQVXARLNGC-GJZGRUSLSA-N 2 1 290.407 2.317 20 0 CEADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1O ZINC000156093527 188242909 /nfs/dbraw/zinc/24/29/09/188242909.db2.gz ALQOLQVXARLNGC-GJZGRUSLSA-N 2 1 290.407 2.317 20 0 CEADMP CC(C)[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000292540793 198325664 /nfs/dbraw/zinc/32/56/64/198325664.db2.gz GLVAQYXHKDJZTC-ZWKOTPCHSA-N 2 1 290.451 2.457 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(N)ccc32)CC[N@@H+]1C ZINC000252095608 539998424 /nfs/dbraw/zinc/99/84/24/539998424.db2.gz HTNYMQWADDRGQH-XFJVYGCCSA-N 2 1 259.397 2.328 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(N)ccc32)CC[N@H+]1C ZINC000252095608 539998426 /nfs/dbraw/zinc/99/84/26/539998426.db2.gz HTNYMQWADDRGQH-XFJVYGCCSA-N 2 1 259.397 2.328 20 0 CEADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000157992166 188351416 /nfs/dbraw/zinc/35/14/16/188351416.db2.gz ZAPBOEVAQQLIPS-ARFHVFGLSA-N 2 1 278.371 2.076 20 0 CEADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccccn2)CC1 ZINC000158626957 188386495 /nfs/dbraw/zinc/38/64/95/188386495.db2.gz MZVUAEWYLZGODZ-INIZCTEOSA-N 2 1 290.455 2.150 20 0 CEADMP CC[N@H+](C)CCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000158753616 188392328 /nfs/dbraw/zinc/39/23/28/188392328.db2.gz UEIIHAYWDPVLFS-HNNXBMFYSA-N 2 1 293.455 2.229 20 0 CEADMP CC[N@@H+](C)CCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000158753616 188392329 /nfs/dbraw/zinc/39/23/29/188392329.db2.gz UEIIHAYWDPVLFS-HNNXBMFYSA-N 2 1 293.455 2.229 20 0 CEADMP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)C1CCCCC1 ZINC000494897239 291003990 /nfs/dbraw/zinc/00/39/90/291003990.db2.gz YBQLPAIYUAREBT-LSDHHAIUSA-N 2 1 295.471 2.144 20 0 CEADMP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000494464726 540008079 /nfs/dbraw/zinc/00/80/79/540008079.db2.gz SCMFAVILFIBSEB-GBJTYRQASA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@H]1C ZINC000494931119 291005744 /nfs/dbraw/zinc/00/57/44/291005744.db2.gz PYWADNZSBACGHH-BODMPHMZSA-N 2 1 288.435 2.387 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CC2CCCCC2)CC1 ZINC000073957265 363273573 /nfs/dbraw/zinc/27/35/73/363273573.db2.gz DZZNETQOJWVQIN-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CC2CCCCC2)CC1 ZINC000073957265 363273577 /nfs/dbraw/zinc/27/35/77/363273577.db2.gz DZZNETQOJWVQIN-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H](Cc1ccccc1F)[NH2+]C1CC[NH+](C)CC1 ZINC000132379217 366138878 /nfs/dbraw/zinc/13/88/78/366138878.db2.gz YZBQEBSDMLLNNP-LBPRGKRZSA-N 2 1 250.361 2.441 20 0 CEADMP COc1cccc(C2([NH2+]CCn3cc[nH+]c3C)CC2)c1 ZINC000271743696 191301864 /nfs/dbraw/zinc/30/18/64/191301864.db2.gz WRJWVBKLJVAFSA-UHFFFAOYSA-N 2 1 271.364 2.479 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)n21 ZINC000336362165 213213045 /nfs/dbraw/zinc/21/30/45/213213045.db2.gz RZZFGZTWGBNGSF-ZIAGYGMSSA-N 2 1 272.396 2.215 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)n21 ZINC000336362165 213213048 /nfs/dbraw/zinc/21/30/48/213213048.db2.gz RZZFGZTWGBNGSF-ZIAGYGMSSA-N 2 1 272.396 2.215 20 0 CEADMP CNC(=O)OC[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000495638983 291058569 /nfs/dbraw/zinc/05/85/69/291058569.db2.gz IHZRZOSQTSRLSI-HNNXBMFYSA-N 2 1 297.443 2.073 20 0 CEADMP CNC(=O)OC[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000495638983 291058570 /nfs/dbraw/zinc/05/85/70/291058570.db2.gz IHZRZOSQTSRLSI-HNNXBMFYSA-N 2 1 297.443 2.073 20 0 CEADMP CC[NH+]1C[C@@H](C)N(C(=O)CC[N@@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000516784968 540111955 /nfs/dbraw/zinc/11/19/55/540111955.db2.gz SJGMIQYJXZXFGE-OAGGEKHMSA-N 2 1 295.471 2.192 20 0 CEADMP CC[NH+]1C[C@@H](C)N(C(=O)CC[N@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000516784968 540111958 /nfs/dbraw/zinc/11/19/58/540111958.db2.gz SJGMIQYJXZXFGE-OAGGEKHMSA-N 2 1 295.471 2.192 20 0 CEADMP COc1ccnc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1OC ZINC000404380741 540121515 /nfs/dbraw/zinc/12/15/15/540121515.db2.gz MDYUKYQLUJZPQX-OCCSQVGLSA-N 2 1 293.411 2.048 20 0 CEADMP COc1ccnc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1OC ZINC000404380741 540121519 /nfs/dbraw/zinc/12/15/19/540121519.db2.gz MDYUKYQLUJZPQX-OCCSQVGLSA-N 2 1 293.411 2.048 20 0 CEADMP Cc1nc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cs1 ZINC000271807957 191340101 /nfs/dbraw/zinc/34/01/01/191340101.db2.gz ADRLCLNFLJLQIC-JTQLQIEISA-N 2 1 251.399 2.364 20 0 CEADMP Cc1nc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cs1 ZINC000271807957 191340103 /nfs/dbraw/zinc/34/01/03/191340103.db2.gz ADRLCLNFLJLQIC-JTQLQIEISA-N 2 1 251.399 2.364 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2cccnc21 ZINC000401760915 540130132 /nfs/dbraw/zinc/13/01/32/540130132.db2.gz HXBHDESTGLUDMB-AWEZNQCLSA-N 2 1 256.353 2.025 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000401715665 540130174 /nfs/dbraw/zinc/13/01/74/540130174.db2.gz KWFZVCDJGXWEFT-GFCCVEGCSA-N 2 1 261.344 2.323 20 0 CEADMP CC[C@H]1C[N@@H+](CC)CCN1CCC[NH+]1CCCCC1 ZINC000451746285 283091205 /nfs/dbraw/zinc/09/12/05/283091205.db2.gz YZMRTEVEUKXPSC-INIZCTEOSA-N 2 1 267.461 2.279 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000162066002 540147304 /nfs/dbraw/zinc/14/73/04/540147304.db2.gz ZSBLTLZUBATBRR-KBPBESRZSA-N 2 1 260.381 2.094 20 0 CEADMP O[C@H]([C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1)C(F)(F)F ZINC000451891225 283135925 /nfs/dbraw/zinc/13/59/25/283135925.db2.gz OBHPKAPSEFDJGO-CHWSQXEVSA-N 2 1 294.361 2.108 20 0 CEADMP O[C@H]([C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1)C(F)(F)F ZINC000451891225 283135928 /nfs/dbraw/zinc/13/59/28/283135928.db2.gz OBHPKAPSEFDJGO-CHWSQXEVSA-N 2 1 294.361 2.108 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000385167927 540224914 /nfs/dbraw/zinc/22/49/14/540224914.db2.gz FTVZWRDENBQQBD-UKRRQHHQSA-N 2 1 250.386 2.038 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000385167927 540224917 /nfs/dbraw/zinc/22/49/17/540224917.db2.gz FTVZWRDENBQQBD-UKRRQHHQSA-N 2 1 250.386 2.038 20 0 CEADMP C1CC[NH+]([C@@H]2CCC[N@H+]([C@H]3CCCOC3)CC2)C1 ZINC000674302399 540237514 /nfs/dbraw/zinc/23/75/14/540237514.db2.gz MPWNEWISMVEISP-CABCVRRESA-N 2 1 252.402 2.116 20 0 CEADMP CC(C)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000338237302 366245715 /nfs/dbraw/zinc/24/57/15/366245715.db2.gz IEYJTLZFJFPGIH-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000338237302 366245721 /nfs/dbraw/zinc/24/57/21/366245721.db2.gz IEYJTLZFJFPGIH-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1CCC[NH3+] ZINC000414744683 540245549 /nfs/dbraw/zinc/24/55/49/540245549.db2.gz ORSIGCZVHXJCBA-AWEZNQCLSA-N 2 1 284.407 2.094 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000156792756 283173321 /nfs/dbraw/zinc/17/33/21/283173321.db2.gz ZPHQCIMYZXIRIA-SOUVJXGZSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000156792756 283173322 /nfs/dbraw/zinc/17/33/22/283173322.db2.gz ZPHQCIMYZXIRIA-SOUVJXGZSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000156792756 283173323 /nfs/dbraw/zinc/17/33/23/283173323.db2.gz ZPHQCIMYZXIRIA-SOUVJXGZSA-N 2 1 255.450 2.037 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338278847 366269323 /nfs/dbraw/zinc/26/93/23/366269323.db2.gz OSLAXOOTYLIRJR-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338278847 366269327 /nfs/dbraw/zinc/26/93/27/366269327.db2.gz OSLAXOOTYLIRJR-JKSUJKDBSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](OC)C2)C1 ZINC000684371368 540253612 /nfs/dbraw/zinc/25/36/12/540253612.db2.gz DHPWPTVOBAXSLJ-KFWWJZLASA-N 2 1 254.418 2.266 20 0 CEADMP COC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)CC1 ZINC000452078602 283180266 /nfs/dbraw/zinc/18/02/66/283180266.db2.gz DVGNXZUENFHSII-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP COC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)CC1 ZINC000452078602 283180269 /nfs/dbraw/zinc/18/02/69/283180269.db2.gz DVGNXZUENFHSII-HNNXBMFYSA-N 2 1 265.401 2.330 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000076222463 363531138 /nfs/dbraw/zinc/53/11/38/363531138.db2.gz DKHPWVUHOASOGQ-UHFFFAOYSA-N 2 1 277.412 2.069 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]CCCC(C)C)CC1 ZINC000338427482 366353741 /nfs/dbraw/zinc/35/37/41/366353741.db2.gz TYXWMFOWMCPCTN-UHFFFAOYSA-N 2 1 269.477 2.430 20 0 CEADMP c1cn(-c2csc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)cn1 ZINC000336327963 213174437 /nfs/dbraw/zinc/17/44/37/213174437.db2.gz QZFHPOMQGCDELT-IUODEOHRSA-N 2 1 288.420 2.118 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1CO[C@H](C2CC2)C1)C1CC1 ZINC000668229587 538749270 /nfs/dbraw/zinc/74/92/70/538749270.db2.gz MWTIDRNBCCYKOS-ZFWWWQNUSA-N 2 1 252.402 2.018 20 0 CEADMP CCOc1ccc(CN2CC[C@@H](C[N@@H+](C)CC)C2)nc1 ZINC000088536897 538878989 /nfs/dbraw/zinc/87/89/89/538878989.db2.gz ZPJREMTWFQFYEZ-AWEZNQCLSA-N 2 1 277.412 2.254 20 0 CEADMP CCOc1ccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)nc1 ZINC000088521935 538879212 /nfs/dbraw/zinc/87/92/12/538879212.db2.gz IFNBBYTUIYDIAY-AWEZNQCLSA-N 2 1 277.412 2.254 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000306729535 540298261 /nfs/dbraw/zinc/29/82/61/540298261.db2.gz DDCWJVVVXSNBGZ-BBWFWOEESA-N 2 1 274.408 2.405 20 0 CEADMP CC[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000079342618 363590028 /nfs/dbraw/zinc/59/00/28/363590028.db2.gz FLZQCBDCMFAJRO-LLVKDONJSA-N 2 1 266.389 2.276 20 0 CEADMP CC[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000079342618 363590031 /nfs/dbraw/zinc/59/00/31/363590031.db2.gz FLZQCBDCMFAJRO-LLVKDONJSA-N 2 1 266.389 2.276 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000685413533 540316705 /nfs/dbraw/zinc/31/67/05/540316705.db2.gz KRWAALRFEFQVGM-RYUDHWBXSA-N 2 1 293.333 2.119 20 0 CEADMP CC[C@H](C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)[NH+](CC)CC ZINC000452575542 283323200 /nfs/dbraw/zinc/32/32/00/283323200.db2.gz YBYTWZNUMBUAKG-GOEBONIOSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](COC(N)=O)Cc1ccccc1 ZINC000496426080 291138308 /nfs/dbraw/zinc/13/83/08/291138308.db2.gz VSWXZDZLVDMAKT-CABCVRRESA-N 2 1 293.411 2.070 20 0 CEADMP CCO[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000570768768 299276672 /nfs/dbraw/zinc/27/66/72/299276672.db2.gz PEDHFCXNXWFUJD-DLBZAZTESA-N 2 1 274.408 2.418 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC[N@@H+]1C ZINC000336088518 291145294 /nfs/dbraw/zinc/14/52/94/291145294.db2.gz HAAVYBQVYPCASI-GMKTYKIGSA-N 2 1 294.361 2.295 20 0 CEADMP C[C@H]1C[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC[N@H+]1C ZINC000336088518 291145296 /nfs/dbraw/zinc/14/52/96/291145296.db2.gz HAAVYBQVYPCASI-GMKTYKIGSA-N 2 1 294.361 2.295 20 0 CEADMP COC(=O)C(C)(C)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000338546188 366406017 /nfs/dbraw/zinc/40/60/17/366406017.db2.gz KRCIWYXDVUNLLQ-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP COC(=O)C(C)(C)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000338546188 366406019 /nfs/dbraw/zinc/40/60/19/366406019.db2.gz KRCIWYXDVUNLLQ-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP COC(=O)C(C)(C)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000338546188 366406020 /nfs/dbraw/zinc/40/60/20/366406020.db2.gz KRCIWYXDVUNLLQ-CQSZACIVSA-N 2 1 284.444 2.382 20 0 CEADMP CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000570859032 299281674 /nfs/dbraw/zinc/28/16/74/299281674.db2.gz SUZGWFMXIOZCRO-VNQPRFMTSA-N 2 1 268.445 2.390 20 0 CEADMP CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000570859032 299281678 /nfs/dbraw/zinc/28/16/78/299281678.db2.gz SUZGWFMXIOZCRO-VNQPRFMTSA-N 2 1 268.445 2.390 20 0 CEADMP C[N@@H+](C[C@H](O)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000294919079 199248432 /nfs/dbraw/zinc/24/84/32/199248432.db2.gz CCNBCQLJZRXWMS-UJJTZGENSA-N 2 1 288.435 2.147 20 0 CEADMP C[NH+](C[C@H](O)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294919079 199248434 /nfs/dbraw/zinc/24/84/34/199248434.db2.gz CCNBCQLJZRXWMS-UJJTZGENSA-N 2 1 288.435 2.147 20 0 CEADMP C[NH+](C[C@H](O)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294919079 199248435 /nfs/dbraw/zinc/24/84/35/199248435.db2.gz CCNBCQLJZRXWMS-UJJTZGENSA-N 2 1 288.435 2.147 20 0 CEADMP CC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000578271793 366469967 /nfs/dbraw/zinc/46/99/67/366469967.db2.gz GTXMGPCEOKWTRC-HZPDHXFCSA-N 2 1 267.461 2.182 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000578435022 366493520 /nfs/dbraw/zinc/49/35/20/366493520.db2.gz HIFIRTYTQYTTNU-DVOMOZLQSA-N 2 1 289.423 2.119 20 0 CEADMP CCCCCNC(=O)C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000136087194 366493873 /nfs/dbraw/zinc/49/38/73/366493873.db2.gz HTIWSTWDGNGPOY-LSDHHAIUSA-N 2 1 292.427 2.072 20 0 CEADMP CCCCCNC(=O)CN1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000136087194 366493877 /nfs/dbraw/zinc/49/38/77/366493877.db2.gz HTIWSTWDGNGPOY-LSDHHAIUSA-N 2 1 292.427 2.072 20 0 CEADMP CC(C)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC000311465737 540456498 /nfs/dbraw/zinc/45/64/98/540456498.db2.gz NBXOUVXFWJSIRN-HZPDHXFCSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000311465737 540456501 /nfs/dbraw/zinc/45/65/01/540456501.db2.gz NBXOUVXFWJSIRN-HZPDHXFCSA-N 2 1 270.461 2.446 20 0 CEADMP CC(C)[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000311465737 540456506 /nfs/dbraw/zinc/45/65/06/540456506.db2.gz NBXOUVXFWJSIRN-HZPDHXFCSA-N 2 1 270.461 2.446 20 0 CEADMP C[C@H]1[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCC12CCOCC2 ZINC000414749281 291179199 /nfs/dbraw/zinc/17/91/99/291179199.db2.gz VVQQJGWGVAWMEX-RBSFLKMASA-N 2 1 266.429 2.266 20 0 CEADMP Cc1csc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000671740874 540496982 /nfs/dbraw/zinc/49/69/82/540496982.db2.gz RPWCHENIHUDCFJ-MJBXVCDLSA-N 2 1 279.453 2.456 20 0 CEADMP C[C@@]1(O)C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000417356766 237094000 /nfs/dbraw/zinc/09/40/00/237094000.db2.gz QDVMOYKABJNIFF-HDICACEKSA-N 2 1 288.435 2.197 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667681340 540519108 /nfs/dbraw/zinc/51/91/08/540519108.db2.gz GSOJVHLOPQGWAQ-OAHLLOKOSA-N 2 1 299.422 2.041 20 0 CEADMP CN(C)c1cccc(C[N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC000296811915 200004701 /nfs/dbraw/zinc/00/47/01/200004701.db2.gz IDBCPJNYHRFXGP-UHFFFAOYSA-N 2 1 261.413 2.184 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CCCO1 ZINC000668064757 540562084 /nfs/dbraw/zinc/56/20/84/540562084.db2.gz WHRNSXFLBNTPJK-LVQVYYBASA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CCCO1 ZINC000668064757 540562087 /nfs/dbraw/zinc/56/20/87/540562087.db2.gz WHRNSXFLBNTPJK-LVQVYYBASA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CCCO1 ZINC000668064758 540562563 /nfs/dbraw/zinc/56/25/63/540562563.db2.gz WHRNSXFLBNTPJK-WCVJEAGWSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CCCO1 ZINC000668064758 540562565 /nfs/dbraw/zinc/56/25/65/540562565.db2.gz WHRNSXFLBNTPJK-WCVJEAGWSA-N 2 1 266.429 2.266 20 0 CEADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000297354123 200159823 /nfs/dbraw/zinc/15/98/23/200159823.db2.gz BQRHVNQVQBHFOO-IRXDYDNUSA-N 2 1 276.424 2.128 20 0 CEADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414961331 296000622 /nfs/dbraw/zinc/00/06/22/296000622.db2.gz YUPVJPPAVHZRRW-CBBWQLFWSA-N 3 1 253.434 2.027 20 0 CEADMP C[NH+]1CCC(Nc2cc[nH+]cc2Br)CC1 ZINC000147118700 366573932 /nfs/dbraw/zinc/57/39/32/366573932.db2.gz INHBSRFEKVMKMM-UHFFFAOYSA-N 2 1 270.174 2.350 20 0 CEADMP CC(C)OC[C@@H](O)C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000578997915 366577638 /nfs/dbraw/zinc/57/76/38/366577638.db2.gz LRHMZAPMHADYSK-HOTGVXAUSA-N 2 1 286.460 2.017 20 0 CEADMP Cc1cnccc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297757300 200275669 /nfs/dbraw/zinc/27/56/69/200275669.db2.gz USHRIZHOHRPZRQ-UHFFFAOYSA-N 2 1 259.397 2.149 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[NH2+]C2CC2)C1 ZINC000579258396 366620319 /nfs/dbraw/zinc/62/03/19/366620319.db2.gz LRCCHQWIDWNDJC-CQSZACIVSA-N 2 1 295.471 2.145 20 0 CEADMP COC1(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCC1 ZINC000339003643 366610598 /nfs/dbraw/zinc/61/05/98/366610598.db2.gz LGYNBLOXEPQTRJ-HNNXBMFYSA-N 2 1 266.429 2.363 20 0 CEADMP Cc1cc[nH+]c(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000339054100 366631308 /nfs/dbraw/zinc/63/13/08/366631308.db2.gz LMUGWWNWHPNHTD-INIZCTEOSA-N 2 1 289.423 2.471 20 0 CEADMP C[N@@H+](C[C@H]1CCCO1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000339060025 366634745 /nfs/dbraw/zinc/63/47/45/366634745.db2.gz MJUDMQSLMGNMPT-QGZVFWFLSA-N 2 1 289.423 2.409 20 0 CEADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000339070268 366640432 /nfs/dbraw/zinc/64/04/32/366640432.db2.gz KPASKMIAFPOIAT-BZSNNMDCSA-N 2 1 288.435 2.054 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc([S@@](C)=O)cc1 ZINC000151939893 366677157 /nfs/dbraw/zinc/67/71/57/366677157.db2.gz BJTYNQPKPDFBBU-SGTLLEGYSA-N 2 1 268.426 2.026 20 0 CEADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc([S@](C)=O)cc1 ZINC000151939737 366677952 /nfs/dbraw/zinc/67/79/52/366677952.db2.gz BJTYNQPKPDFBBU-KPZWWZAWSA-N 2 1 268.426 2.026 20 0 CEADMP C[N@H+](CCNC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000298245270 200370081 /nfs/dbraw/zinc/37/00/81/200370081.db2.gz CVMIPMZJYTVIAH-UHFFFAOYSA-N 2 1 287.451 2.335 20 0 CEADMP C[N@@H+](CCNC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000298245270 200370083 /nfs/dbraw/zinc/37/00/83/200370083.db2.gz CVMIPMZJYTVIAH-UHFFFAOYSA-N 2 1 287.451 2.335 20 0 CEADMP C[C@](O)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000298327800 200395870 /nfs/dbraw/zinc/39/58/70/200395870.db2.gz IRMHAWLGSAUSHR-KRWDZBQOSA-N 2 1 274.408 2.111 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000177987571 189083482 /nfs/dbraw/zinc/08/34/82/189083482.db2.gz GRSDUOHCTBJZSY-CQSZACIVSA-N 2 1 292.423 2.240 20 0 CEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@H]3CCCOC3)C2)c1 ZINC000674301109 540742317 /nfs/dbraw/zinc/74/23/17/540742317.db2.gz NESXUUWVYIOHNR-GJZGRUSLSA-N 2 1 275.396 2.303 20 0 CEADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@H]3CCCOC3)C2)c1 ZINC000674301109 540742320 /nfs/dbraw/zinc/74/23/20/540742320.db2.gz NESXUUWVYIOHNR-GJZGRUSLSA-N 2 1 275.396 2.303 20 0 CEADMP CCO[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000675497007 540848203 /nfs/dbraw/zinc/84/82/03/540848203.db2.gz PJFHPBMWTNVLJX-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CCO[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000675497007 540848208 /nfs/dbraw/zinc/84/82/08/540848208.db2.gz PJFHPBMWTNVLJX-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP CCO[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000675497007 540848211 /nfs/dbraw/zinc/84/82/11/540848211.db2.gz PJFHPBMWTNVLJX-GJZGRUSLSA-N 2 1 254.418 2.362 20 0 CEADMP COC(=O)[C@@]12C[N@@H+](CC[C@@H]3CCC[NH+]3C)C[C@@H]1CCCC2 ZINC000342184310 216251014 /nfs/dbraw/zinc/25/10/14/216251014.db2.gz ZGTDBDPSFBVONN-ZOBUZTSGSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@]12C[NH+](CC[C@@H]3CCC[N@@H+]3C)C[C@@H]1CCCC2 ZINC000342184310 216251016 /nfs/dbraw/zinc/25/10/16/216251016.db2.gz ZGTDBDPSFBVONN-ZOBUZTSGSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@@]12C[NH+](CC[C@@H]3CCC[N@H+]3C)C[C@@H]1CCCC2 ZINC000342184310 216251019 /nfs/dbraw/zinc/25/10/19/216251019.db2.gz ZGTDBDPSFBVONN-ZOBUZTSGSA-N 2 1 294.439 2.136 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]CCn2cc[nH+]c2C)s1 ZINC000677754970 541041608 /nfs/dbraw/zinc/04/16/08/541041608.db2.gz NXIWZZMWWRQICF-VIFPVBQESA-N 2 1 250.371 2.307 20 0 CEADMP CCc1cnc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000579719994 366691749 /nfs/dbraw/zinc/69/17/49/366691749.db2.gz YJEUCIFHERIIJK-OLZOCXBDSA-N 2 1 263.385 2.059 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000579825058 366708130 /nfs/dbraw/zinc/70/81/30/366708130.db2.gz DSWBVLLGWLVRMD-IXDOHACOSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000152661252 366709168 /nfs/dbraw/zinc/70/91/68/366709168.db2.gz AQWXAVBOXNEEBS-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000579827458 366710544 /nfs/dbraw/zinc/71/05/44/366710544.db2.gz NWJATWHWKDXZRL-RDTXWAMCSA-N 2 1 288.435 2.367 20 0 CEADMP Cc1cccc([C@@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181405795 189296092 /nfs/dbraw/zinc/29/60/92/189296092.db2.gz UEMOKCNYSTUGCZ-KBMXLJTQSA-N 2 1 262.397 2.101 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]CCC[C@@H]1CCO1 ZINC000638675226 370678058 /nfs/dbraw/zinc/67/80/58/370678058.db2.gz QQLIAHWTNHWGPN-CQSZACIVSA-N 2 1 251.374 2.130 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CCc2ccccc2)CC[N@@H+]1C ZINC000182438760 189323356 /nfs/dbraw/zinc/32/33/56/189323356.db2.gz BPZIBBYHYMRGJO-BPQIPLTHSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CCc2ccccc2)CC[N@H+]1C ZINC000182438760 189323357 /nfs/dbraw/zinc/32/33/57/189323357.db2.gz BPZIBBYHYMRGJO-BPQIPLTHSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CCc2ccccc2)CC[NH+]1C ZINC000182438760 189323358 /nfs/dbraw/zinc/32/33/58/189323358.db2.gz BPZIBBYHYMRGJO-BPQIPLTHSA-N 2 1 290.451 2.395 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)CCc2ccccc2)CC[NH+]1C ZINC000182438760 189323359 /nfs/dbraw/zinc/32/33/59/189323359.db2.gz BPZIBBYHYMRGJO-BPQIPLTHSA-N 2 1 290.451 2.395 20 0 CEADMP CC(C)[NH+](CCNc1cc(NCC2CC2)[nH+]cn1)C(C)C ZINC000340018870 366747911 /nfs/dbraw/zinc/74/79/11/366747911.db2.gz LIJVNXMIRGIPSW-UHFFFAOYSA-N 2 1 291.443 2.251 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000154537389 366777864 /nfs/dbraw/zinc/77/78/64/366777864.db2.gz IBJNAIXYLYLUDT-OWCLPIDISA-N 2 1 297.487 2.378 20 0 CEADMP Cc1nccc([C@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000678072981 541077073 /nfs/dbraw/zinc/07/70/73/541077073.db2.gz HCJOYLREBKNCSP-JKSUJKDBSA-N 2 1 288.439 2.449 20 0 CEADMP Cc1nccc([C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000678072981 541077076 /nfs/dbraw/zinc/07/70/76/541077076.db2.gz HCJOYLREBKNCSP-JKSUJKDBSA-N 2 1 288.439 2.449 20 0 CEADMP Cc1nccc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000678072981 541077078 /nfs/dbraw/zinc/07/70/78/541077078.db2.gz HCJOYLREBKNCSP-JKSUJKDBSA-N 2 1 288.439 2.449 20 0 CEADMP Cc1nccc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000678072981 541077081 /nfs/dbraw/zinc/07/70/81/541077081.db2.gz HCJOYLREBKNCSP-JKSUJKDBSA-N 2 1 288.439 2.449 20 0 CEADMP CC[N@@H+](CCOC)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678134595 541086089 /nfs/dbraw/zinc/08/60/89/541086089.db2.gz YDVCXZLBDSJMES-UHFFFAOYSA-N 2 1 280.412 2.095 20 0 CEADMP Cc1ncncc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000581834782 366826533 /nfs/dbraw/zinc/82/65/33/366826533.db2.gz ZUQDYAPJIHJMKK-OCCSQVGLSA-N 2 1 262.401 2.168 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184276918 189382033 /nfs/dbraw/zinc/38/20/33/189382033.db2.gz OIGDRWVDEOEYNP-AWEZNQCLSA-N 2 1 265.401 2.009 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184276918 189382034 /nfs/dbraw/zinc/38/20/34/189382034.db2.gz OIGDRWVDEOEYNP-AWEZNQCLSA-N 2 1 265.401 2.009 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000342515629 216380980 /nfs/dbraw/zinc/38/09/80/216380980.db2.gz XGUJIMGFQPZKFM-RDGKXADDSA-N 2 1 295.471 2.237 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCC1 ZINC000678929737 541192513 /nfs/dbraw/zinc/19/25/13/541192513.db2.gz MGMJPAFOORHOOO-MRXNPFEDSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@@H+](Cc1ccccc1NC(=O)C[NH3+])C1CCCCC1 ZINC000237166828 370696409 /nfs/dbraw/zinc/69/64/09/370696409.db2.gz HZDGBISKOKAWLC-UHFFFAOYSA-N 2 1 275.396 2.348 20 0 CEADMP O=C(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000679132309 541218984 /nfs/dbraw/zinc/21/89/84/541218984.db2.gz DTPQHDYPDWWELA-UHFFFAOYSA-N 2 1 295.386 2.477 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCc1ccc2c(c1)CCO2 ZINC000088103090 363878266 /nfs/dbraw/zinc/87/82/66/363878266.db2.gz OTBDIYSAZVPODJ-INIZCTEOSA-N 2 1 274.408 2.367 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CSC2)c1 ZINC000679626419 541297240 /nfs/dbraw/zinc/29/72/40/541297240.db2.gz ZFFQKZSEJRJLEA-UHFFFAOYSA-N 2 1 250.411 2.343 20 0 CEADMP C[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])C[NH+]1CCCCC1 ZINC000089145430 363936221 /nfs/dbraw/zinc/93/62/21/363936221.db2.gz YVDXLJCYAPMRMZ-BZUAXINKSA-N 2 1 267.461 2.216 20 0 CEADMP COc1ccc(OCC[N@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000089424810 363965224 /nfs/dbraw/zinc/96/52/24/363965224.db2.gz ZIBNQRUXYAKJAN-HNNXBMFYSA-N 2 1 292.423 2.490 20 0 CEADMP COc1ccc(OCC[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000089424810 363965227 /nfs/dbraw/zinc/96/52/27/363965227.db2.gz ZIBNQRUXYAKJAN-HNNXBMFYSA-N 2 1 292.423 2.490 20 0 CEADMP COc1ccc(OCC[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000089424810 363965228 /nfs/dbraw/zinc/96/52/28/363965228.db2.gz ZIBNQRUXYAKJAN-HNNXBMFYSA-N 2 1 292.423 2.490 20 0 CEADMP COc1ccc(OCC[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000089424810 363965230 /nfs/dbraw/zinc/96/52/30/363965230.db2.gz ZIBNQRUXYAKJAN-HNNXBMFYSA-N 2 1 292.423 2.490 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ncccc1Cl ZINC000090408826 364055505 /nfs/dbraw/zinc/05/55/05/364055505.db2.gz AHSHOSYORHYYQS-YRGRVCCFSA-N 2 1 297.830 2.432 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)CC1 ZINC000093132729 364143050 /nfs/dbraw/zinc/14/30/50/364143050.db2.gz BMYGNXIQXWNAOC-IRXDYDNUSA-N 2 1 277.456 2.055 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccn1 ZINC000638710433 370701658 /nfs/dbraw/zinc/70/16/58/370701658.db2.gz VXYVSTBWPCSMNE-YDHLFZDLSA-N 2 1 277.412 2.094 20 0 CEADMP COc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccn1 ZINC000638710433 370701662 /nfs/dbraw/zinc/70/16/62/370701662.db2.gz VXYVSTBWPCSMNE-YDHLFZDLSA-N 2 1 277.412 2.094 20 0 CEADMP CC[C@H](C)C[N@@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000093251073 364155254 /nfs/dbraw/zinc/15/52/54/364155254.db2.gz NPAHLLGMUBRICH-JTQLQIEISA-N 2 1 254.378 2.131 20 0 CEADMP CCC[C@@H](C[NH2+]C1CC[NH+](CCOC(C)C)CC1)OC ZINC000638726679 370713833 /nfs/dbraw/zinc/71/38/33/370713833.db2.gz WMEAZUKCPRZYPE-INIZCTEOSA-N 2 1 286.460 2.281 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1([NH3+])CCCCC1 ZINC000237496314 370726374 /nfs/dbraw/zinc/72/63/74/370726374.db2.gz YMGLZJOPAMCGOD-HNNXBMFYSA-N 2 1 295.471 2.419 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000237530793 370729947 /nfs/dbraw/zinc/72/99/47/370729947.db2.gz BEVWTAQLDOKGRM-CQSZACIVSA-N 2 1 295.471 2.275 20 0 CEADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC[NH+]1CCCC1 ZINC000093496747 364193095 /nfs/dbraw/zinc/19/30/95/364193095.db2.gz GSPXPICKUMCXCW-HOTGVXAUSA-N 3 1 267.461 2.373 20 0 CEADMP Cn1cccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683850 364214387 /nfs/dbraw/zinc/21/43/87/364214387.db2.gz ZPUNZUJHVXERJY-OAHLLOKOSA-N 2 1 261.413 2.333 20 0 CEADMP Cn1cccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683850 364214391 /nfs/dbraw/zinc/21/43/91/364214391.db2.gz ZPUNZUJHVXERJY-OAHLLOKOSA-N 2 1 261.413 2.333 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000334693239 364191263 /nfs/dbraw/zinc/19/12/63/364191263.db2.gz TYHHYSYUUFDABB-JSGCOSHPSA-N 2 1 272.396 2.133 20 0 CEADMP COc1cc(C)c(C[N@@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000093874457 364239205 /nfs/dbraw/zinc/23/92/05/364239205.db2.gz HWNFYGKHTPGTIJ-UHFFFAOYSA-N 2 1 280.412 2.429 20 0 CEADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000334738361 364252769 /nfs/dbraw/zinc/25/27/69/364252769.db2.gz JRUPMCSTNFEAOW-HZPDHXFCSA-N 2 1 259.397 2.415 20 0 CEADMP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000334738361 364252773 /nfs/dbraw/zinc/25/27/73/364252773.db2.gz JRUPMCSTNFEAOW-HZPDHXFCSA-N 2 1 259.397 2.415 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000335035235 364383104 /nfs/dbraw/zinc/38/31/04/364383104.db2.gz SGSUYRLCHACDGS-HZPDHXFCSA-N 2 1 260.381 2.466 20 0 CEADMP CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340361067 366862231 /nfs/dbraw/zinc/86/22/31/366862231.db2.gz YZGNKHUBSAPZKE-PMPSAXMXSA-N 2 1 262.397 2.182 20 0 CEADMP CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340361067 366862238 /nfs/dbraw/zinc/86/22/38/366862238.db2.gz YZGNKHUBSAPZKE-PMPSAXMXSA-N 2 1 262.397 2.182 20 0 CEADMP CN(C)c1ncc(CN2CCCc3ccccc3C2)n1C ZINC000335147208 364541748 /nfs/dbraw/zinc/54/17/48/364541748.db2.gz NTHOLXUKPBXBJE-UHFFFAOYSA-N 2 1 284.407 2.435 20 0 CEADMP Cc1cc(C[N@@H+]2CCN3CCC2CC3)cc(C)c1O ZINC000335147671 364543462 /nfs/dbraw/zinc/54/34/62/364543462.db2.gz PPVJRPHBSNELSP-UHFFFAOYSA-N 2 1 260.381 2.289 20 0 CEADMP Cc1cc(C[N@H+]2CCN3CCC2CC3)cc(C)c1O ZINC000335147671 364543466 /nfs/dbraw/zinc/54/34/66/364543466.db2.gz PPVJRPHBSNELSP-UHFFFAOYSA-N 2 1 260.381 2.289 20 0 CEADMP CC1([NH2+]Cc2cncc(Br)c2)CC[NH2+]CC1 ZINC000335175489 364579015 /nfs/dbraw/zinc/57/90/15/364579015.db2.gz WKOBGBLFJFXNKC-UHFFFAOYSA-N 2 1 284.201 2.076 20 0 CEADMP Cc1c(Cl)c(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nn1C ZINC000335234407 364665627 /nfs/dbraw/zinc/66/56/27/364665627.db2.gz XXLIQAFATMXFPA-YHWZYXNKSA-N 2 1 296.846 2.487 20 0 CEADMP Cc1cccn2c(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cnc12 ZINC000335637933 212352903 /nfs/dbraw/zinc/35/29/03/212352903.db2.gz YUJLUUFCESHEMB-CVEARBPZSA-N 2 1 298.434 2.464 20 0 CEADMP C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000335644344 364818325 /nfs/dbraw/zinc/81/83/25/364818325.db2.gz TYSOOKHFHNBQKN-RDHHWEPZSA-N 2 1 279.472 2.371 20 0 CEADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2C)CC1 ZINC000113656275 364908021 /nfs/dbraw/zinc/90/80/21/364908021.db2.gz POZORNHPFPGUGL-UHFFFAOYSA-N 2 1 289.423 2.255 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccs2)CCN1C1CC[NH+](C)CC1 ZINC000335739235 364911237 /nfs/dbraw/zinc/91/12/37/364911237.db2.gz CYVVZGSBLIWBAX-AWEZNQCLSA-N 2 1 293.480 2.348 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113513008 364900771 /nfs/dbraw/zinc/90/07/71/364900771.db2.gz NTOWSTYJCTXAFJ-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113513008 364900781 /nfs/dbraw/zinc/90/07/81/364900781.db2.gz NTOWSTYJCTXAFJ-OAHLLOKOSA-N 2 1 262.397 2.469 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000113512294 364902149 /nfs/dbraw/zinc/90/21/49/364902149.db2.gz AWQSNVFORZCCQJ-CQSZACIVSA-N 2 1 280.387 2.478 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516242 364903300 /nfs/dbraw/zinc/90/33/00/364903300.db2.gz JEYNQZAJPUTBIH-OAGGEKHMSA-N 2 1 268.445 2.465 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516242 364903308 /nfs/dbraw/zinc/90/33/08/364903308.db2.gz JEYNQZAJPUTBIH-OAGGEKHMSA-N 2 1 268.445 2.465 20 0 CEADMP COc1ccc(OCC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000118843197 365183955 /nfs/dbraw/zinc/18/39/55/365183955.db2.gz LWXKIGNKWWHJGJ-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP COc1ccc(OCC[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000118843197 365183960 /nfs/dbraw/zinc/18/39/60/365183960.db2.gz LWXKIGNKWWHJGJ-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP COc1ccc(OCC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000118843197 365183966 /nfs/dbraw/zinc/18/39/66/365183966.db2.gz LWXKIGNKWWHJGJ-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC000357106480 370805262 /nfs/dbraw/zinc/80/52/62/370805262.db2.gz AMTBNGQLGYFEDR-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245201673 370806011 /nfs/dbraw/zinc/80/60/11/370806011.db2.gz LHKMPAORTYBDTE-LVQVYYBASA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000245394995 370811866 /nfs/dbraw/zinc/81/18/66/370811866.db2.gz GZNNXSBEVWAUTL-YJNKXOJESA-N 2 1 283.460 2.094 20 0 CEADMP CCc1noc(C)c1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000119226334 365238046 /nfs/dbraw/zinc/23/80/46/365238046.db2.gz LDFJLUWFPQTWCA-CYBMUJFWSA-N 2 1 265.401 2.319 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCC2(OC)CCC2)[C@@H](C)C1 ZINC000340440742 366886255 /nfs/dbraw/zinc/88/62/55/366886255.db2.gz JTAGLYHRZRWWGM-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP COC(=O)[C@@H](C)C[N@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000120475757 365430181 /nfs/dbraw/zinc/43/01/81/365430181.db2.gz BAVUHUUFKUZOHN-ZDUSSCGKSA-N 2 1 293.411 2.245 20 0 CEADMP COC(=O)[C@@H](C)C[N@@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000120475757 365430190 /nfs/dbraw/zinc/43/01/90/365430190.db2.gz BAVUHUUFKUZOHN-ZDUSSCGKSA-N 2 1 293.411 2.245 20 0 CEADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000340483880 366904679 /nfs/dbraw/zinc/90/46/79/366904679.db2.gz LDBACFVCRBMDDM-YESZJQIVSA-N 2 1 280.456 2.392 20 0 CEADMP C(COCC1CCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000680935826 541476832 /nfs/dbraw/zinc/47/68/32/541476832.db2.gz JQWXCWNBCTWTLQ-HUUCEWRRSA-N 2 1 252.402 2.020 20 0 CEADMP CC1CC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000681052757 541495155 /nfs/dbraw/zinc/49/51/55/541495155.db2.gz OGVNPWAUQONUSJ-ZALBZXLWSA-N 2 1 252.402 2.018 20 0 CEADMP c1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000681114871 541506809 /nfs/dbraw/zinc/50/68/09/541506809.db2.gz GOZGRDZOBDJVLR-SFHVURJKSA-N 2 1 288.435 2.462 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000583389040 367041857 /nfs/dbraw/zinc/04/18/57/367041857.db2.gz WHBJJDNANBOYIT-SFHVURJKSA-N 2 1 299.418 2.335 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000583389040 367041860 /nfs/dbraw/zinc/04/18/60/367041860.db2.gz WHBJJDNANBOYIT-SFHVURJKSA-N 2 1 299.418 2.335 20 0 CEADMP CO[C@]1(C)C[C@H]([NH2+]CCCc2c[nH+]cn2C)C1(C)C ZINC000583638996 367076337 /nfs/dbraw/zinc/07/63/37/367076337.db2.gz QQFNYTSQNIEOJA-DZGCQCFKSA-N 2 1 265.401 2.146 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](C)COC ZINC000583290404 367027002 /nfs/dbraw/zinc/02/70/02/367027002.db2.gz UUNNNJAIKIYMQA-CQSZACIVSA-N 2 1 267.417 2.440 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](C)COC ZINC000583290404 367027008 /nfs/dbraw/zinc/02/70/08/367027008.db2.gz UUNNNJAIKIYMQA-CQSZACIVSA-N 2 1 267.417 2.440 20 0 CEADMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1O ZINC000161971066 367126844 /nfs/dbraw/zinc/12/68/44/367126844.db2.gz UBIDIDYCPAYBNL-CQSZACIVSA-N 2 1 278.396 2.174 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1O ZINC000161971066 367126849 /nfs/dbraw/zinc/12/68/49/367126849.db2.gz UBIDIDYCPAYBNL-CQSZACIVSA-N 2 1 278.396 2.174 20 0 CEADMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1O ZINC000161971066 367126854 /nfs/dbraw/zinc/12/68/54/367126854.db2.gz UBIDIDYCPAYBNL-CQSZACIVSA-N 2 1 278.396 2.174 20 0 CEADMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1O ZINC000161971066 367126856 /nfs/dbraw/zinc/12/68/56/367126856.db2.gz UBIDIDYCPAYBNL-CQSZACIVSA-N 2 1 278.396 2.174 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H]1CCCC[C@H]1C ZINC000584060786 367136921 /nfs/dbraw/zinc/13/69/21/367136921.db2.gz BCFSGRSHWNATOK-QLFBSQMISA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H]1CCCC[C@H]1C ZINC000584060786 367136925 /nfs/dbraw/zinc/13/69/25/367136925.db2.gz BCFSGRSHWNATOK-QLFBSQMISA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@@H]1CCCC[C@H]1C ZINC000584060786 367136929 /nfs/dbraw/zinc/13/69/29/367136929.db2.gz BCFSGRSHWNATOK-QLFBSQMISA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@@H]1CCCC[C@H]1C ZINC000584060786 367136932 /nfs/dbraw/zinc/13/69/32/367136932.db2.gz BCFSGRSHWNATOK-QLFBSQMISA-N 2 1 256.434 2.200 20 0 CEADMP CC(C)[C@@H]1N(C[C@H](O)C[N@@H+](C)C(C)C)CC12CCC2 ZINC000583704583 367086416 /nfs/dbraw/zinc/08/64/16/367086416.db2.gz KYMLLUWYEPNYLU-CABCVRRESA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[C@@H]1[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC12CCC2 ZINC000583704583 367086422 /nfs/dbraw/zinc/08/64/22/367086422.db2.gz KYMLLUWYEPNYLU-CABCVRRESA-N 2 1 268.445 2.198 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC12CCC2 ZINC000583704583 367086425 /nfs/dbraw/zinc/08/64/25/367086425.db2.gz KYMLLUWYEPNYLU-CABCVRRESA-N 2 1 268.445 2.198 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4[nH]ccc4c3)C[C@@H]2C1 ZINC000585383086 367184105 /nfs/dbraw/zinc/18/41/05/367184105.db2.gz ZWSUCRYMBOYNOT-GASCZTMLSA-N 2 1 255.365 2.161 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)C[C@@H]2C1 ZINC000585383086 367184117 /nfs/dbraw/zinc/18/41/17/367184117.db2.gz ZWSUCRYMBOYNOT-GASCZTMLSA-N 2 1 255.365 2.161 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)C[C@@H]2C1 ZINC000585383086 367184124 /nfs/dbraw/zinc/18/41/24/367184124.db2.gz ZWSUCRYMBOYNOT-GASCZTMLSA-N 2 1 255.365 2.161 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000341046371 367146548 /nfs/dbraw/zinc/14/65/48/367146548.db2.gz BBWPVOUNUOSNRW-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP Cn1cnc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc21 ZINC000341187577 367213088 /nfs/dbraw/zinc/21/30/88/367213088.db2.gz NJNKEKVTJFCZFG-CABCVRRESA-N 2 1 284.407 2.290 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000163234928 367225954 /nfs/dbraw/zinc/22/59/54/367225954.db2.gz UZZSTNBBSJUDAV-JSGCOSHPSA-N 2 1 255.365 2.404 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000163416069 367237067 /nfs/dbraw/zinc/23/70/67/367237067.db2.gz VCLZOWYJOVOGAP-YPMHNXCESA-N 2 1 266.360 2.251 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000163416069 367237073 /nfs/dbraw/zinc/23/70/73/367237073.db2.gz VCLZOWYJOVOGAP-YPMHNXCESA-N 2 1 266.360 2.251 20 0 CEADMP CCc1nc(C)cc(N2CC[N@@H+](C)C[C@H]2C(C)C)n1 ZINC000342373088 367404287 /nfs/dbraw/zinc/40/42/87/367404287.db2.gz RNZCCWMVRLOQJX-ZDUSSCGKSA-N 2 1 262.401 2.124 20 0 CEADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCc1c[nH+]cn1C ZINC000631622217 367444829 /nfs/dbraw/zinc/44/48/29/367444829.db2.gz OHZYVMOPIYRYMX-INIZCTEOSA-N 2 1 271.364 2.248 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000357987986 370862075 /nfs/dbraw/zinc/86/20/75/370862075.db2.gz FAQWINIZWQFIQP-DOMZBBRYSA-N 2 1 266.360 2.134 20 0 CEADMP Cc1cc(C)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000631823984 367561258 /nfs/dbraw/zinc/56/12/58/367561258.db2.gz RYYCETVSJUDRGA-INIZCTEOSA-N 2 1 259.397 2.192 20 0 CEADMP Cc1cc(C)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000631823984 367561262 /nfs/dbraw/zinc/56/12/62/367561262.db2.gz RYYCETVSJUDRGA-INIZCTEOSA-N 2 1 259.397 2.192 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)C[C@H]1C[NH3+] ZINC000631839126 367579325 /nfs/dbraw/zinc/57/93/25/367579325.db2.gz AQTPKEWWXNATHD-BXUZGUMPSA-N 2 1 273.355 2.401 20 0 CEADMP CO[C@H](C[N@H+]1CCCCC[C@H]([NH3+])C1)C1CCCC1 ZINC000631835245 367573769 /nfs/dbraw/zinc/57/37/69/367573769.db2.gz PRQIDLUBNBENCZ-LSDHHAIUSA-N 2 1 254.418 2.395 20 0 CEADMP COc1ccc(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631886772 367608621 /nfs/dbraw/zinc/60/86/21/367608621.db2.gz MDWOXZNOSAXVND-NVXWUHKLSA-N 2 1 274.408 2.312 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H]2CCC[C@@H]21 ZINC000681710512 541586651 /nfs/dbraw/zinc/58/66/51/541586651.db2.gz SYRLNNHHSIWYGV-SQNIBIBYSA-N 2 1 288.435 2.354 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H]2CCC[C@@H]21 ZINC000681710512 541586654 /nfs/dbraw/zinc/58/66/54/541586654.db2.gz SYRLNNHHSIWYGV-SQNIBIBYSA-N 2 1 288.435 2.354 20 0 CEADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000681710512 541586657 /nfs/dbraw/zinc/58/66/57/541586657.db2.gz SYRLNNHHSIWYGV-SQNIBIBYSA-N 2 1 288.435 2.354 20 0 CEADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000681710512 541586661 /nfs/dbraw/zinc/58/66/61/541586661.db2.gz SYRLNNHHSIWYGV-SQNIBIBYSA-N 2 1 288.435 2.354 20 0 CEADMP c1cc(CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc2c1OCC2 ZINC000631886625 367608904 /nfs/dbraw/zinc/60/89/04/367608904.db2.gz IKZWADUGOMZUQL-IAGOWNOFSA-N 2 1 286.419 2.238 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c2c(c1)COCC2 ZINC000631891393 367613199 /nfs/dbraw/zinc/61/31/99/367613199.db2.gz YODXUSQSWXIYHH-RDTXWAMCSA-N 2 1 286.419 2.333 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000572502462 299375055 /nfs/dbraw/zinc/37/50/55/299375055.db2.gz TZEWKRLKXSPUHS-DLBZAZTESA-N 2 1 279.472 2.419 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccn(C)c2)[C@@H](C)C1 ZINC000343194866 367701229 /nfs/dbraw/zinc/70/12/29/367701229.db2.gz MCLXDJUKEDZLFM-RDJZCZTQSA-N 2 1 293.455 2.252 20 0 CEADMP CCC(CC)[C@H](CN[C@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000343268800 367734054 /nfs/dbraw/zinc/73/40/54/367734054.db2.gz GOVZPBJMJUKYSS-PVAVHDDUSA-N 2 1 281.488 2.427 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@H]1CN(C)C[C@H]1C)[NH+]1CCCC1 ZINC000343268800 367734058 /nfs/dbraw/zinc/73/40/58/367734058.db2.gz GOVZPBJMJUKYSS-PVAVHDDUSA-N 2 1 281.488 2.427 20 0 CEADMP CCOC(=O)c1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000245745651 370867687 /nfs/dbraw/zinc/86/76/87/370867687.db2.gz MPUMPGRDEPMGTO-STQMWFEESA-N 2 1 294.395 2.371 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCc2nccs2)CC[N@H+]1C ZINC000358052641 370886474 /nfs/dbraw/zinc/88/64/74/370886474.db2.gz YAMPBUXBNLPECQ-NEPJUHHUSA-N 2 1 253.415 2.148 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2C)CC1 ZINC000172856097 367830428 /nfs/dbraw/zinc/83/04/28/367830428.db2.gz QVTPEKALTQIBIK-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CCOC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000343571263 367891597 /nfs/dbraw/zinc/89/15/97/367891597.db2.gz IORTXGPJKFSHEF-KGLIPLIRSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000343571263 367891600 /nfs/dbraw/zinc/89/16/00/367891600.db2.gz IORTXGPJKFSHEF-KGLIPLIRSA-N 2 1 270.417 2.134 20 0 CEADMP CCOC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000343571263 367891604 /nfs/dbraw/zinc/89/16/04/367891604.db2.gz IORTXGPJKFSHEF-KGLIPLIRSA-N 2 1 270.417 2.134 20 0 CEADMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000343882824 368056060 /nfs/dbraw/zinc/05/60/60/368056060.db2.gz QWDYOYLZGATVKF-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccc(C)c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000174728110 368059519 /nfs/dbraw/zinc/05/95/19/368059519.db2.gz WZVHVRHGSKUKLD-UHFFFAOYSA-N 2 1 289.467 2.373 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414847566 296114879 /nfs/dbraw/zinc/11/48/79/296114879.db2.gz FUIDSRNZOZVCPB-ZIAGYGMSSA-N 3 1 267.461 2.227 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000572611848 299384238 /nfs/dbraw/zinc/38/42/38/299384238.db2.gz IHPJQHAFXGWEGE-HUUCEWRRSA-N 2 1 266.429 2.267 20 0 CEADMP Cc1cc(N2CCC([NH2+]Cc3ccco3)CC2)nc(C)[nH+]1 ZINC000178615482 368305570 /nfs/dbraw/zinc/30/55/70/368305570.db2.gz FFTMCAHAJAPUQQ-UHFFFAOYSA-N 2 1 286.379 2.445 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CCOC)C12CCCC2 ZINC000181488450 368461320 /nfs/dbraw/zinc/46/13/20/368461320.db2.gz ACGNERSKKCKBTA-HZPDHXFCSA-N 2 1 298.471 2.282 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCO[C@@H](C)C1 ZINC000346148379 368562595 /nfs/dbraw/zinc/56/25/95/368562595.db2.gz KLLWRAWIPZZXIY-ZDUSSCGKSA-N 2 1 286.379 2.187 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000183686272 368642971 /nfs/dbraw/zinc/64/29/71/368642971.db2.gz WVWJMEFSJJNXAY-GFCCVEGCSA-N 2 1 282.428 2.323 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000358090977 370900844 /nfs/dbraw/zinc/90/08/44/370900844.db2.gz WXWSHNUGLUQUDC-XQQFMLRXSA-N 2 1 270.417 2.037 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358090977 370900852 /nfs/dbraw/zinc/90/08/52/370900852.db2.gz WXWSHNUGLUQUDC-XQQFMLRXSA-N 2 1 270.417 2.037 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000346572778 368722055 /nfs/dbraw/zinc/72/20/55/368722055.db2.gz YHUMXXYKFMEKJB-SOUVJXGZSA-N 2 1 254.418 2.264 20 0 CEADMP CCC[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358124263 370914801 /nfs/dbraw/zinc/91/48/01/370914801.db2.gz XISGCHODGQGSHD-DLBZAZTESA-N 2 1 276.424 2.227 20 0 CEADMP CCC[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358124263 370914807 /nfs/dbraw/zinc/91/48/07/370914807.db2.gz XISGCHODGQGSHD-DLBZAZTESA-N 2 1 276.424 2.227 20 0 CEADMP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC000358125979 370915527 /nfs/dbraw/zinc/91/55/27/370915527.db2.gz ZOMZBCULRSKYAJ-YHUYYLMFSA-N 2 1 268.445 2.103 20 0 CEADMP CC(C)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC000358125979 370915533 /nfs/dbraw/zinc/91/55/33/370915533.db2.gz ZOMZBCULRSKYAJ-YHUYYLMFSA-N 2 1 268.445 2.103 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000346631893 368742982 /nfs/dbraw/zinc/74/29/82/368742982.db2.gz DBCZCBUCUSQWIE-WDEREUQCSA-N 2 1 276.409 2.307 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)Oc1ccccc1 ZINC000358180025 370939666 /nfs/dbraw/zinc/93/96/66/370939666.db2.gz RWABGOJDEWJMKU-IIAWOOMASA-N 2 1 262.397 2.384 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(C2CC2)nc2sccn12 ZINC000346693626 368776092 /nfs/dbraw/zinc/77/60/92/368776092.db2.gz OIIQZUNHKCKRNO-QWRGUYRKSA-N 2 1 290.436 2.442 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(C2CC2)nc2sccn12 ZINC000346693626 368776096 /nfs/dbraw/zinc/77/60/96/368776096.db2.gz OIIQZUNHKCKRNO-QWRGUYRKSA-N 2 1 290.436 2.442 20 0 CEADMP Cc1ncc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1-c1ccccc1 ZINC000346646162 368749864 /nfs/dbraw/zinc/74/98/64/368749864.db2.gz ADMZDVIKOLUZHJ-UKRRQHHQSA-N 2 1 284.407 2.350 20 0 CEADMP Cc1ncc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1-c1ccccc1 ZINC000346646162 368749868 /nfs/dbraw/zinc/74/98/68/368749868.db2.gz ADMZDVIKOLUZHJ-UKRRQHHQSA-N 2 1 284.407 2.350 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000634732930 368844982 /nfs/dbraw/zinc/84/49/82/368844982.db2.gz RYSLRHBJNHRIAX-MRXNPFEDSA-N 3 1 279.472 2.229 20 0 CEADMP CC(C)[C@H]1CC[N@H+]1C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000634647381 368794577 /nfs/dbraw/zinc/79/45/77/368794577.db2.gz XGIMLKNLGXYDNM-MSOLQXFVSA-N 2 1 288.435 2.354 20 0 CEADMP CC(C)[C@H]1CC[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634647381 368794581 /nfs/dbraw/zinc/79/45/81/368794581.db2.gz XGIMLKNLGXYDNM-MSOLQXFVSA-N 2 1 288.435 2.354 20 0 CEADMP CC(C)[C@H]1CC[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634647381 368794584 /nfs/dbraw/zinc/79/45/84/368794584.db2.gz XGIMLKNLGXYDNM-MSOLQXFVSA-N 2 1 288.435 2.354 20 0 CEADMP CC(C)[C@H]1CC[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634647381 368794590 /nfs/dbraw/zinc/79/45/90/368794590.db2.gz XGIMLKNLGXYDNM-MSOLQXFVSA-N 2 1 288.435 2.354 20 0 CEADMP CC(C)[C@H]1CC[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634647381 368794593 /nfs/dbraw/zinc/79/45/93/368794593.db2.gz XGIMLKNLGXYDNM-MSOLQXFVSA-N 2 1 288.435 2.354 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000347017382 368796762 /nfs/dbraw/zinc/79/67/62/368796762.db2.gz DMTSQZJPQSHLFH-UONOGXRCSA-N 2 1 262.397 2.340 20 0 CEADMP c1ccc(OC[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000347011333 368797083 /nfs/dbraw/zinc/79/70/83/368797083.db2.gz UPSYJTXMZFBVME-MRXNPFEDSA-N 2 1 274.408 2.387 20 0 CEADMP CC(C)CNC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688239 368843001 /nfs/dbraw/zinc/84/30/01/368843001.db2.gz COJIVHRUANDHHQ-CABCVRRESA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)CNC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185688239 368843008 /nfs/dbraw/zinc/84/30/08/368843008.db2.gz COJIVHRUANDHHQ-CABCVRRESA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000347042754 368798462 /nfs/dbraw/zinc/79/84/62/368798462.db2.gz MBOQOWCOMUGNKW-UONOGXRCSA-N 2 1 261.413 2.312 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@@H]3CC[NH2+][C@@H](C)C3)c2c1C ZINC000634808488 368897253 /nfs/dbraw/zinc/89/72/53/368897253.db2.gz VAYUDECILKVBTL-GZMMTYOYSA-N 2 1 259.357 2.127 20 0 CEADMP O=C1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CCN1 ZINC000634979466 369009251 /nfs/dbraw/zinc/00/92/51/369009251.db2.gz FCYJCFXCRVNKND-GDBMZVCRSA-N 2 1 293.455 2.042 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000348350160 369012684 /nfs/dbraw/zinc/01/26/84/369012684.db2.gz XJGHZLOZDAGUGP-BFYDXBDKSA-N 2 1 275.440 2.362 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000348350160 369012690 /nfs/dbraw/zinc/01/26/90/369012690.db2.gz XJGHZLOZDAGUGP-BFYDXBDKSA-N 2 1 275.440 2.362 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634991792 369019607 /nfs/dbraw/zinc/01/96/07/369019607.db2.gz RMIBYEQXSNKFOL-DZGCQCFKSA-N 2 1 296.418 2.500 20 0 CEADMP CN(CC12CC(C1)C[NH2+]2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000634992413 369021176 /nfs/dbraw/zinc/02/11/76/369021176.db2.gz OFGUEGOGNIBFQP-XBMUEBEBSA-N 2 1 299.462 2.335 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000634999054 369031749 /nfs/dbraw/zinc/03/17/49/369031749.db2.gz PFWFLGKFANMKHH-UKRRQHHQSA-N 2 1 284.407 2.412 20 0 CEADMP COc1ccc2oc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)cc2c1 ZINC000634998742 369032090 /nfs/dbraw/zinc/03/20/90/369032090.db2.gz KKRUCTNSMRPTRB-DGCLKSJQSA-N 2 1 274.364 2.468 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccccc2Cl)CC[N@H+]1C ZINC000348403395 369034282 /nfs/dbraw/zinc/03/42/82/369034282.db2.gz LUUVOHZYSIFGSQ-MCIONIFRSA-N 2 1 296.842 2.488 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000348415637 369040305 /nfs/dbraw/zinc/04/03/05/369040305.db2.gz QSUJECVQVHUEFH-WWGRRREGSA-N 2 1 296.842 2.346 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H]1CCNC(=O)CC1)[NH+]1CCC(C)CC1 ZINC000634952426 368986997 /nfs/dbraw/zinc/98/69/97/368986997.db2.gz YUIBCJBGVRTCRY-HZPDHXFCSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)[C@H](C[NH2+][C@@H]1CCNC(=O)CC1)[NH+]1CCC(C)CC1 ZINC000634952425 368987070 /nfs/dbraw/zinc/98/70/70/368987070.db2.gz YUIBCJBGVRTCRY-HOTGVXAUSA-N 2 1 295.471 2.001 20 0 CEADMP CC[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000348300686 368990780 /nfs/dbraw/zinc/99/07/80/368990780.db2.gz KEFJXSIRMGLGTR-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]1CC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000348300686 368990785 /nfs/dbraw/zinc/99/07/85/368990785.db2.gz KEFJXSIRMGLGTR-RRFJBIMHSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1nccn1C ZINC000635012396 369050606 /nfs/dbraw/zinc/05/06/06/369050606.db2.gz TYFATHBYXBEHPX-CHWSQXEVSA-N 2 1 264.417 2.239 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000635013410 369053456 /nfs/dbraw/zinc/05/34/56/369053456.db2.gz SGXQUWYGYGHRBB-STQMWFEESA-N 2 1 265.376 2.074 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000349122755 369245857 /nfs/dbraw/zinc/24/58/57/369245857.db2.gz ZWGMZSCAXPIRMD-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCO[C@@H](C)C1 ZINC000349422371 369326523 /nfs/dbraw/zinc/32/65/23/369326523.db2.gz VGXLSSVECDGLRH-ZFWWWQNUSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCO[C@@H](C)C1 ZINC000349422371 369326528 /nfs/dbraw/zinc/32/65/28/369326528.db2.gz VGXLSSVECDGLRH-ZFWWWQNUSA-N 2 1 265.401 2.329 20 0 CEADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccn(C)n1 ZINC000349465283 369334378 /nfs/dbraw/zinc/33/43/78/369334378.db2.gz VMKOEPNCZIISOF-GXTWGEPZSA-N 2 1 275.400 2.302 20 0 CEADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000349401558 369319134 /nfs/dbraw/zinc/31/91/34/369319134.db2.gz DVYJNUQXGUPCQM-FUHWJXTLSA-N 2 1 288.435 2.337 20 0 CEADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000349401558 369319138 /nfs/dbraw/zinc/31/91/38/369319138.db2.gz DVYJNUQXGUPCQM-FUHWJXTLSA-N 2 1 288.435 2.337 20 0 CEADMP COC1(C[N@H+](C)CCCn2cc[nH+]c2C)CCCC1 ZINC000349403526 369319164 /nfs/dbraw/zinc/31/91/64/369319164.db2.gz CHXWTYISEHMXFD-UHFFFAOYSA-N 2 1 265.401 2.473 20 0 CEADMP COC1(C[N@@H+](C)CCCn2cc[nH+]c2C)CCCC1 ZINC000349403526 369319170 /nfs/dbraw/zinc/31/91/70/369319170.db2.gz CHXWTYISEHMXFD-UHFFFAOYSA-N 2 1 265.401 2.473 20 0 CEADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CC[N@@H+](C)C3)n2)cc1 ZINC000349738830 369382598 /nfs/dbraw/zinc/38/25/98/369382598.db2.gz ZBVZPZNQBKJAGQ-CQSZACIVSA-N 2 1 286.379 2.217 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000635941504 369414578 /nfs/dbraw/zinc/41/45/78/369414578.db2.gz WAIBHQVUNKQODR-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635941504 369414582 /nfs/dbraw/zinc/41/45/82/369414582.db2.gz WAIBHQVUNKQODR-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635941504 369414585 /nfs/dbraw/zinc/41/45/85/369414585.db2.gz WAIBHQVUNKQODR-GDBMZVCRSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1nccs1 ZINC000349835507 369417141 /nfs/dbraw/zinc/41/71/41/369417141.db2.gz PZGXPRCFSKGGTE-UTUOFQBUSA-N 2 1 253.415 2.176 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC12CCCC2 ZINC000189063392 369450723 /nfs/dbraw/zinc/45/07/23/369450723.db2.gz JAYJRYCMRSOYTH-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP Cc1cc([C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C2CC2)ccc1F ZINC000358229299 370962642 /nfs/dbraw/zinc/96/26/42/370962642.db2.gz GJFGBIISBVFPMO-IAGOWNOFSA-N 2 1 292.398 2.241 20 0 CEADMP Cc1cc([C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C2CC2)ccc1F ZINC000358229299 370962648 /nfs/dbraw/zinc/96/26/48/370962648.db2.gz GJFGBIISBVFPMO-IAGOWNOFSA-N 2 1 292.398 2.241 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2c3ccccc3NC2=O)CC[N@H+]1C ZINC000246473949 370966806 /nfs/dbraw/zinc/96/68/06/370966806.db2.gz QSAIBXGKKKHXKA-IPYPFGDCSA-N 2 1 287.407 2.185 20 0 CEADMP CCCC[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000352416578 369721584 /nfs/dbraw/zinc/72/15/84/369721584.db2.gz VBRBZCMPWWYELD-CQSZACIVSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)Cn1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000352546521 369781650 /nfs/dbraw/zinc/78/16/50/369781650.db2.gz WIIPOAXBWQCWFL-HNNXBMFYSA-N 2 1 264.417 2.242 20 0 CEADMP CC(C)Cn1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000352546521 369781652 /nfs/dbraw/zinc/78/16/52/369781652.db2.gz WIIPOAXBWQCWFL-HNNXBMFYSA-N 2 1 264.417 2.242 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352545882 369782179 /nfs/dbraw/zinc/78/21/79/369782179.db2.gz MTNZCWIVUFOIPK-CYBMUJFWSA-N 2 1 278.444 2.248 20 0 CEADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000352745382 369865338 /nfs/dbraw/zinc/86/53/38/369865338.db2.gz JEFIDPBPCHHNGT-ULQWZQFMSA-N 2 1 293.499 2.425 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000352745382 369865339 /nfs/dbraw/zinc/86/53/39/369865339.db2.gz JEFIDPBPCHHNGT-ULQWZQFMSA-N 2 1 293.499 2.425 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352745382 369865343 /nfs/dbraw/zinc/86/53/43/369865343.db2.gz JEFIDPBPCHHNGT-ULQWZQFMSA-N 2 1 293.499 2.425 20 0 CEADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352745382 369865346 /nfs/dbraw/zinc/86/53/46/369865346.db2.gz JEFIDPBPCHHNGT-ULQWZQFMSA-N 2 1 293.499 2.425 20 0 CEADMP CCCC[NH+]1CCC(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000352748931 369866519 /nfs/dbraw/zinc/86/65/19/369866519.db2.gz NVJMKMIRVZYPCA-YOEHRIQHSA-N 2 1 279.472 2.323 20 0 CEADMP CCCC[NH+]1CCC([NH2+][C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000352748931 369866523 /nfs/dbraw/zinc/86/65/23/369866523.db2.gz NVJMKMIRVZYPCA-YOEHRIQHSA-N 2 1 279.472 2.323 20 0 CEADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000352756886 369869710 /nfs/dbraw/zinc/86/97/10/369869710.db2.gz RUHJBUAGVCLRRP-OAHLLOKOSA-N 2 1 278.444 2.186 20 0 CEADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000352756886 369869714 /nfs/dbraw/zinc/86/97/14/369869714.db2.gz RUHJBUAGVCLRRP-OAHLLOKOSA-N 2 1 278.444 2.186 20 0 CEADMP C[N@@H+]1C[C@H]2CN(Cc3ccccc3OC(F)F)C[C@H]2C1 ZINC000193610670 369961118 /nfs/dbraw/zinc/96/11/18/369961118.db2.gz SSVGEOYFGDRIRO-BETUJISGSA-N 2 1 282.334 2.281 20 0 CEADMP C=Cn1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000194343679 370027778 /nfs/dbraw/zinc/02/77/78/370027778.db2.gz DHMGOVHQFXUSHU-UHFFFAOYSA-N 2 1 262.401 2.382 20 0 CEADMP CC[NH2+]Cc1cccc(NC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000637808998 370080788 /nfs/dbraw/zinc/08/07/88/370080788.db2.gz OVXOIWIFXMLKEP-CQSZACIVSA-N 2 1 275.396 2.076 20 0 CEADMP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353494650 370114980 /nfs/dbraw/zinc/11/49/80/370114980.db2.gz DIARCRPXOIYXBN-JKJDWNRSSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@@H+]1C[C@H]2CN(Cc3cnc(-c4ccco4)s3)C[C@H]2C1 ZINC000194540288 370048648 /nfs/dbraw/zinc/04/86/48/370048648.db2.gz JREJIHWBIJCPHN-TXEJJXNPSA-N 2 1 289.404 2.397 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353929499 370141773 /nfs/dbraw/zinc/14/17/73/370141773.db2.gz MUUXWYFOHCUNQG-JJXSEGSLSA-N 2 1 266.429 2.408 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC000354085857 370211316 /nfs/dbraw/zinc/21/13/16/370211316.db2.gz ZGPFYQKHOBRPAB-AWEZNQCLSA-N 2 1 297.468 2.384 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC000354085857 370211318 /nfs/dbraw/zinc/21/13/18/370211318.db2.gz ZGPFYQKHOBRPAB-AWEZNQCLSA-N 2 1 297.468 2.384 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)C1 ZINC000354145576 370233323 /nfs/dbraw/zinc/23/33/23/370233323.db2.gz DOTIYWNOPTTZPJ-ZJIFWQFVSA-N 2 1 296.455 2.286 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCC[C@@H]2CCO2)CC1 ZINC000637955206 370196880 /nfs/dbraw/zinc/19/68/80/370196880.db2.gz FWEUVAKNLNUPAS-OAHLLOKOSA-N 2 1 254.418 2.362 20 0 CEADMP CCC[C@@H](C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1)OC ZINC000638122567 370319151 /nfs/dbraw/zinc/31/91/51/370319151.db2.gz KQWXZDFLERWNFP-GJZGRUSLSA-N 2 1 256.434 2.465 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638110521 370306581 /nfs/dbraw/zinc/30/65/81/370306581.db2.gz GCERFTVHVLATKX-HIFRSBDPSA-N 2 1 293.455 2.051 20 0 CEADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)sn1 ZINC000638176124 370357927 /nfs/dbraw/zinc/35/79/27/370357927.db2.gz CDRPMHXNRMRUHR-TZMCWYRMSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)sn1 ZINC000638176124 370357928 /nfs/dbraw/zinc/35/79/28/370357928.db2.gz CDRPMHXNRMRUHR-TZMCWYRMSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)sn1 ZINC000638176124 370357929 /nfs/dbraw/zinc/35/79/29/370357929.db2.gz CDRPMHXNRMRUHR-TZMCWYRMSA-N 2 1 265.426 2.368 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)sn1 ZINC000638176124 370357930 /nfs/dbraw/zinc/35/79/30/370357930.db2.gz CDRPMHXNRMRUHR-TZMCWYRMSA-N 2 1 265.426 2.368 20 0 CEADMP c1ccc2c(c1)CC([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000227301494 370364838 /nfs/dbraw/zinc/36/48/38/370364838.db2.gz GYGFLJLDXUMKFU-RDJZCZTQSA-N 2 1 256.393 2.370 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3nccnc3c2)C1 ZINC000638133868 370326902 /nfs/dbraw/zinc/32/69/02/370326902.db2.gz LITHQHFWQPIMSD-HNNXBMFYSA-N 2 1 284.407 2.403 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3nccnc3c2)C1 ZINC000638133868 370326906 /nfs/dbraw/zinc/32/69/06/370326906.db2.gz LITHQHFWQPIMSD-HNNXBMFYSA-N 2 1 284.407 2.403 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3nccnc3c2)C1 ZINC000638133868 370326908 /nfs/dbraw/zinc/32/69/08/370326908.db2.gz LITHQHFWQPIMSD-HNNXBMFYSA-N 2 1 284.407 2.403 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC000638133868 370326913 /nfs/dbraw/zinc/32/69/13/370326913.db2.gz LITHQHFWQPIMSD-HNNXBMFYSA-N 2 1 284.407 2.403 20 0 CEADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@H](C[NH+](C)CC)C1)OC ZINC000638133427 370327354 /nfs/dbraw/zinc/32/73/54/370327354.db2.gz JXFOZUVFIMPZPQ-ZNMIVQPWSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@H](C[N@H+](C)CC)C1)OC ZINC000638133427 370327360 /nfs/dbraw/zinc/32/73/60/370327360.db2.gz JXFOZUVFIMPZPQ-ZNMIVQPWSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@H](C)[C@H](C[NH+]1CC[C@H](C[N@@H+](C)CC)C1)OC ZINC000638133427 370327365 /nfs/dbraw/zinc/32/73/65/370327365.db2.gz JXFOZUVFIMPZPQ-ZNMIVQPWSA-N 2 1 256.434 2.321 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(O)cc(F)c3)C[C@H]21 ZINC000228739275 370413218 /nfs/dbraw/zinc/41/32/18/370413218.db2.gz ULUFMUXYRHUOSZ-NILFDRSVSA-N 2 1 264.344 2.091 20 0 CEADMP Cc1cccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000229092690 370418573 /nfs/dbraw/zinc/41/85/73/370418573.db2.gz NAMBBPFKWKHSQU-CABCVRRESA-N 2 1 262.397 2.291 20 0 CEADMP COc1ncc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000638335034 370453367 /nfs/dbraw/zinc/45/33/67/370453367.db2.gz INXBZQUMYVMPRD-JTQLQIEISA-N 2 1 280.397 2.083 20 0 CEADMP CC[C@@H](C[NH2+]C1CC(n2cccn2)C1)[NH+]1CCCC1 ZINC000638353521 370463531 /nfs/dbraw/zinc/46/35/31/370463531.db2.gz ALXUWYCBTGLBEX-SLTAFYQDSA-N 2 1 262.401 2.051 20 0 CEADMP C[C@H]([NH3+])CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000638377731 370484537 /nfs/dbraw/zinc/48/45/37/370484537.db2.gz KBUOCBFCIKBGPK-LSDHHAIUSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000638579765 370617810 /nfs/dbraw/zinc/61/78/10/370617810.db2.gz XFKVPIMERNDWPN-LVQVYYBASA-N 2 1 295.471 2.286 20 0 CEADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000638579765 370617814 /nfs/dbraw/zinc/61/78/14/370617814.db2.gz XFKVPIMERNDWPN-LVQVYYBASA-N 2 1 295.471 2.286 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccc(O)c1 ZINC000638566637 370609219 /nfs/dbraw/zinc/60/92/19/370609219.db2.gz BGTKMDJIEOQIRH-ZDUSSCGKSA-N 2 1 292.423 2.278 20 0 CEADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)CC[NH3+])c2C1 ZINC000236717952 370613728 /nfs/dbraw/zinc/61/37/28/370613728.db2.gz MMUGYFIGDFANHX-UHFFFAOYSA-N 2 1 275.396 2.336 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CC1(F)F ZINC000639125207 371002862 /nfs/dbraw/zinc/00/28/62/371002862.db2.gz XZBWYSOBCVBIRU-FRRDWIJNSA-N 2 1 276.371 2.121 20 0 CEADMP Cn1cc(CCC[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000639175990 371051283 /nfs/dbraw/zinc/05/12/83/371051283.db2.gz CAOKHDYLPVZACP-QGZVFWFLSA-N 2 1 290.455 2.016 20 0 CEADMP CO[C@](C)(C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000639176005 371051543 /nfs/dbraw/zinc/05/15/43/371051543.db2.gz CCXODBNAKHYGOE-NVXWUHKLSA-N 2 1 280.456 2.465 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)C1(C)C ZINC000246929869 371033342 /nfs/dbraw/zinc/03/33/42/371033342.db2.gz NPVVDROYLMREOO-HZSPNIEDSA-N 2 1 254.418 2.121 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCC1CCOCC1 ZINC000639165037 371037506 /nfs/dbraw/zinc/03/75/06/371037506.db2.gz AXBVMODTBGVYOH-HNNXBMFYSA-N 2 1 254.418 2.267 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CCC1CCOCC1 ZINC000639165037 371037512 /nfs/dbraw/zinc/03/75/12/371037512.db2.gz AXBVMODTBGVYOH-HNNXBMFYSA-N 2 1 254.418 2.267 20 0 CEADMP Cc1cccc(NCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000358410739 371055083 /nfs/dbraw/zinc/05/50/83/371055083.db2.gz XJOQRKDLYQTSNI-NWANDNLSSA-N 2 1 276.428 2.120 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cncc(F)c2)C1 ZINC000247066955 371057497 /nfs/dbraw/zinc/05/74/97/371057497.db2.gz OBQRVWXZTNLQOF-NEPJUHHUSA-N 2 1 251.349 2.213 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cncc(F)c2)C1 ZINC000247066955 371057503 /nfs/dbraw/zinc/05/75/03/371057503.db2.gz OBQRVWXZTNLQOF-NEPJUHHUSA-N 2 1 251.349 2.213 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000247060226 371057535 /nfs/dbraw/zinc/05/75/35/371057535.db2.gz NTLSILNSZMELGF-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247060226 371057541 /nfs/dbraw/zinc/05/75/41/371057541.db2.gz NTLSILNSZMELGF-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000247060226 371057547 /nfs/dbraw/zinc/05/75/47/371057547.db2.gz NTLSILNSZMELGF-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(CO)cc2)C1 ZINC000639180841 371061970 /nfs/dbraw/zinc/06/19/70/371061970.db2.gz ZNQBMCQHRDFYKJ-IAGOWNOFSA-N 2 1 274.408 2.095 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(CO)cc2)C1 ZINC000639180841 371061974 /nfs/dbraw/zinc/06/19/74/371061974.db2.gz ZNQBMCQHRDFYKJ-IAGOWNOFSA-N 2 1 274.408 2.095 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(CO)cc2)C1 ZINC000639180841 371061982 /nfs/dbraw/zinc/06/19/82/371061982.db2.gz ZNQBMCQHRDFYKJ-IAGOWNOFSA-N 2 1 274.408 2.095 20 0 CEADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639198820 371083782 /nfs/dbraw/zinc/08/37/82/371083782.db2.gz SRLBJCPBUPRDKH-ZNMIVQPWSA-N 2 1 283.460 2.144 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639198820 371083788 /nfs/dbraw/zinc/08/37/88/371083788.db2.gz SRLBJCPBUPRDKH-ZNMIVQPWSA-N 2 1 283.460 2.144 20 0 CEADMP CC[C@](C)(C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)OC ZINC000639207640 371095979 /nfs/dbraw/zinc/09/59/79/371095979.db2.gz JGFWYTPRIHCRAA-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CC[C@](C)(C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)OC ZINC000639207640 371095985 /nfs/dbraw/zinc/09/59/85/371095985.db2.gz JGFWYTPRIHCRAA-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP CC[C@](C)(C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)OC ZINC000639207640 371095991 /nfs/dbraw/zinc/09/59/91/371095991.db2.gz JGFWYTPRIHCRAA-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639240762 371135413 /nfs/dbraw/zinc/13/54/13/371135413.db2.gz YJUPAHYVZOCZOE-XYVMCAHJSA-N 2 1 286.419 2.467 20 0 CEADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639240762 371135418 /nfs/dbraw/zinc/13/54/18/371135418.db2.gz YJUPAHYVZOCZOE-XYVMCAHJSA-N 2 1 286.419 2.467 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000247934307 371146489 /nfs/dbraw/zinc/14/64/89/371146489.db2.gz CHCXKPWZQWZWSV-UKRRQHHQSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000247934307 371146492 /nfs/dbraw/zinc/14/64/92/371146492.db2.gz CHCXKPWZQWZWSV-UKRRQHHQSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000247934307 371146498 /nfs/dbraw/zinc/14/64/98/371146498.db2.gz CHCXKPWZQWZWSV-UKRRQHHQSA-N 2 1 275.396 2.006 20 0 CEADMP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000247934307 371146499 /nfs/dbraw/zinc/14/64/99/371146499.db2.gz CHCXKPWZQWZWSV-UKRRQHHQSA-N 2 1 275.396 2.006 20 0 CEADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247933463 371147596 /nfs/dbraw/zinc/14/75/96/371147596.db2.gz CGPQIWGYVCJUIN-MJVIPROJSA-N 2 1 265.401 2.295 20 0 CEADMP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247933463 371147603 /nfs/dbraw/zinc/14/76/03/371147603.db2.gz CGPQIWGYVCJUIN-MJVIPROJSA-N 2 1 265.401 2.295 20 0 CEADMP CC(C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248410479 371188992 /nfs/dbraw/zinc/18/89/92/371188992.db2.gz HGBOWTYHWZEXHF-GVDBMIGSSA-N 2 1 288.435 2.258 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000358687471 371174417 /nfs/dbraw/zinc/17/44/17/371174417.db2.gz ICLKLRFRFCNTEM-ARFHVFGLSA-N 2 1 295.471 2.145 20 0 CEADMP CO[C@@](C)(C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000639345918 371258006 /nfs/dbraw/zinc/25/80/06/371258006.db2.gz CTHDXBOPIYOYHT-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000639346985 371259368 /nfs/dbraw/zinc/25/93/68/371259368.db2.gz JTDBIWYIKXSORV-MRXNPFEDSA-N 2 1 262.397 2.000 20 0 CEADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@H](C)[NH3+])C1 ZINC000248844589 371253951 /nfs/dbraw/zinc/25/39/51/371253951.db2.gz HHXCZCSAFYLUOH-UONOGXRCSA-N 2 1 283.460 2.131 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000358922834 371269048 /nfs/dbraw/zinc/26/90/48/371269048.db2.gz CBCMVKGQBDZPNH-HIFRSBDPSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000358922834 371269055 /nfs/dbraw/zinc/26/90/55/371269055.db2.gz CBCMVKGQBDZPNH-HIFRSBDPSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000358922836 371269237 /nfs/dbraw/zinc/26/92/37/371269237.db2.gz CBCMVKGQBDZPNH-ZFWWWQNUSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000358922836 371269244 /nfs/dbraw/zinc/26/92/44/371269244.db2.gz CBCMVKGQBDZPNH-ZFWWWQNUSA-N 2 1 276.428 2.119 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C[C@@H]1CCCOC1 ZINC000359152661 371356212 /nfs/dbraw/zinc/35/62/12/371356212.db2.gz JVOAYYCLYRIWLV-GJZGRUSLSA-N 2 1 254.418 2.267 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000250636137 371387821 /nfs/dbraw/zinc/38/78/21/371387821.db2.gz SBQRCRAZNLQMAW-BBWFWOEESA-N 2 1 280.456 2.488 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000250636137 371387824 /nfs/dbraw/zinc/38/78/24/371387824.db2.gz SBQRCRAZNLQMAW-BBWFWOEESA-N 2 1 280.456 2.488 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000250636137 371387827 /nfs/dbraw/zinc/38/78/27/371387827.db2.gz SBQRCRAZNLQMAW-BBWFWOEESA-N 2 1 280.456 2.488 20 0 CEADMP C([C@H]1CCCCO1)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250857577 371393628 /nfs/dbraw/zinc/39/36/28/371393628.db2.gz POSDQTMNBOOWLK-RBSFLKMASA-N 2 1 252.402 2.162 20 0 CEADMP C([C@H]1CCCCO1)[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250857577 371393633 /nfs/dbraw/zinc/39/36/33/371393633.db2.gz POSDQTMNBOOWLK-RBSFLKMASA-N 2 1 252.402 2.162 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)C[C@H]1n1ccnc1 ZINC000639542089 371393729 /nfs/dbraw/zinc/39/37/29/371393729.db2.gz CZPCJDRCJUKCOJ-GXTWGEPZSA-N 2 1 272.352 2.067 20 0 CEADMP Cc1c([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cnn1C ZINC000250893122 371394472 /nfs/dbraw/zinc/39/44/72/371394472.db2.gz QTPFEYDUCKMTFI-YUTCNCBUSA-N 2 1 262.401 2.006 20 0 CEADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1C ZINC000250893122 371394475 /nfs/dbraw/zinc/39/44/75/371394475.db2.gz QTPFEYDUCKMTFI-YUTCNCBUSA-N 2 1 262.401 2.006 20 0 CEADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cnn1C ZINC000250893122 371394479 /nfs/dbraw/zinc/39/44/79/371394479.db2.gz QTPFEYDUCKMTFI-YUTCNCBUSA-N 2 1 262.401 2.006 20 0 CEADMP CCC[C@H](C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000251396225 371400591 /nfs/dbraw/zinc/40/05/91/371400591.db2.gz YZVHXSPDGMOEJO-HRCADAONSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1C[N@@H+](CCSc2ccccc2)CC[C@H]1[NH3+] ZINC000251699135 371412134 /nfs/dbraw/zinc/41/21/34/371412134.db2.gz ITZWWKWPJHBLOC-TZMCWYRMSA-N 2 1 250.411 2.448 20 0 CEADMP CC1=CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000639571087 371413234 /nfs/dbraw/zinc/41/32/34/371413234.db2.gz VTYCEKQJWHBJNJ-GOSISDBHSA-N 2 1 286.419 2.275 20 0 CEADMP CC1=CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000639571087 371413237 /nfs/dbraw/zinc/41/32/37/371413237.db2.gz VTYCEKQJWHBJNJ-GOSISDBHSA-N 2 1 286.419 2.275 20 0 CEADMP CC1=CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639571087 371413240 /nfs/dbraw/zinc/41/32/40/371413240.db2.gz VTYCEKQJWHBJNJ-GOSISDBHSA-N 2 1 286.419 2.275 20 0 CEADMP CC1=CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639571087 371413244 /nfs/dbraw/zinc/41/32/44/371413244.db2.gz VTYCEKQJWHBJNJ-GOSISDBHSA-N 2 1 286.419 2.275 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000250181197 371380353 /nfs/dbraw/zinc/38/03/53/371380353.db2.gz CHELUMFTVVCJSY-DVOMOZLQSA-N 2 1 278.371 2.076 20 0 CEADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000250181197 371380359 /nfs/dbraw/zinc/38/03/59/371380359.db2.gz CHELUMFTVVCJSY-DVOMOZLQSA-N 2 1 278.371 2.076 20 0 CEADMP COc1ccc(CC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252864909 371484216 /nfs/dbraw/zinc/48/42/16/371484216.db2.gz PLINKZJHJUODEP-BHYGNILZSA-N 2 1 274.408 2.297 20 0 CEADMP Cc1ccc(C)c(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252667315 371465362 /nfs/dbraw/zinc/46/53/62/371465362.db2.gz IPPHAUBXAZVALG-DLBZAZTESA-N 2 1 274.408 2.256 20 0 CEADMP Cc1ccc(C)c(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252667315 371465364 /nfs/dbraw/zinc/46/53/64/371465364.db2.gz IPPHAUBXAZVALG-DLBZAZTESA-N 2 1 274.408 2.256 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252715945 371472862 /nfs/dbraw/zinc/47/28/62/371472862.db2.gz XEDKAAQCYAQTPP-XJKCOSOUSA-N 2 1 262.397 2.253 20 0 CEADMP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252715945 371472868 /nfs/dbraw/zinc/47/28/68/371472868.db2.gz XEDKAAQCYAQTPP-XJKCOSOUSA-N 2 1 262.397 2.253 20 0 CEADMP CC[N@H+]1CC[C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000252785466 371479311 /nfs/dbraw/zinc/47/93/11/371479311.db2.gz PCRJVADIPKOMES-KCXAZCMYSA-N 2 1 259.397 2.063 20 0 CEADMP Cc1nc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c2n1CCCC2 ZINC000360062329 371501095 /nfs/dbraw/zinc/50/10/95/371501095.db2.gz VKSJZBCUMLNKLR-GZBFAFLISA-N 2 1 290.455 2.346 20 0 CEADMP Cc1ccncc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639701841 371507295 /nfs/dbraw/zinc/50/72/95/371507295.db2.gz CRQSOZACGNIFDL-UHFFFAOYSA-N 2 1 282.391 2.497 20 0 CEADMP Cc1ccccc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344029513 217017720 /nfs/dbraw/zinc/01/77/20/217017720.db2.gz NHICWXKILDTXNV-UHFFFAOYSA-N 2 1 277.456 2.310 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c(C)s1 ZINC000639761340 371548386 /nfs/dbraw/zinc/54/83/86/371548386.db2.gz ANCMAZYOJVAUBS-OAHLLOKOSA-N 2 1 282.453 2.253 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c(C)s1 ZINC000639761340 371548394 /nfs/dbraw/zinc/54/83/94/371548394.db2.gz ANCMAZYOJVAUBS-OAHLLOKOSA-N 2 1 282.453 2.253 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCC(C)(C)C)C1 ZINC000639761334 371548729 /nfs/dbraw/zinc/54/87/29/371548729.db2.gz AMXZMVAAHBLBFD-HNNXBMFYSA-N 2 1 256.434 2.201 20 0 CEADMP COc1ccnc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639758942 371548850 /nfs/dbraw/zinc/54/88/50/371548850.db2.gz YHIIXUYEJGIMAB-UHFFFAOYSA-N 2 1 275.396 2.008 20 0 CEADMP Cc1cccc(C)c1C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764409 371553068 /nfs/dbraw/zinc/55/30/68/371553068.db2.gz VMYFHHUYJUXRLF-QGZVFWFLSA-N 2 1 276.424 2.192 20 0 CEADMP CC(C)C[C@@H](C)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767787 371555546 /nfs/dbraw/zinc/55/55/46/371555546.db2.gz SJZORZKWKQQEMW-CABCVRRESA-N 2 1 256.434 2.057 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000359972298 371495813 /nfs/dbraw/zinc/49/58/13/371495813.db2.gz VRQHIXKWQZEFDM-BFYDXBDKSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000359972298 371495817 /nfs/dbraw/zinc/49/58/17/371495817.db2.gz VRQHIXKWQZEFDM-BFYDXBDKSA-N 2 1 279.472 2.323 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261599300 371670410 /nfs/dbraw/zinc/67/04/10/371670410.db2.gz PLUWKFKYIRRZSD-CABCVRRESA-N 2 1 260.381 2.127 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261599300 371670417 /nfs/dbraw/zinc/67/04/17/371670417.db2.gz PLUWKFKYIRRZSD-CABCVRRESA-N 2 1 260.381 2.127 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000258979246 371621539 /nfs/dbraw/zinc/62/15/39/371621539.db2.gz LWZOQIGJBRVSBF-NWDGAFQWSA-N 2 1 269.186 2.419 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000259145835 371623147 /nfs/dbraw/zinc/62/31/47/371623147.db2.gz UWDWTRUOBKTYGJ-VHSXEESVSA-N 2 1 275.215 2.480 20 0 CEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cncc(F)c1 ZINC000361121368 371662788 /nfs/dbraw/zinc/66/27/88/371662788.db2.gz VMTXCASNDAHXTE-SMDDNHRTSA-N 2 1 251.349 2.356 20 0 CEADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cncc(F)c1 ZINC000361121368 371662798 /nfs/dbraw/zinc/66/27/98/371662798.db2.gz VMTXCASNDAHXTE-SMDDNHRTSA-N 2 1 251.349 2.356 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261815056 371739244 /nfs/dbraw/zinc/73/92/44/371739244.db2.gz HXUGNZSRMOODTD-IUODEOHRSA-N 2 1 299.422 2.053 20 0 CEADMP CCC1([NH+]2CCCC2)CC[NH+](CCn2cccn2)CC1 ZINC000639987316 371715389 /nfs/dbraw/zinc/71/53/89/371715389.db2.gz AUBMCCHTOGCPSB-UHFFFAOYSA-N 2 1 276.428 2.224 20 0 CEADMP C[C@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000361231275 371728178 /nfs/dbraw/zinc/72/81/78/371728178.db2.gz HWVJDDRZARZIGT-IXRCJPEJSA-N 2 1 294.483 2.494 20 0 CEADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000361174905 371698475 /nfs/dbraw/zinc/69/84/75/371698475.db2.gz ISYNXDPYIYOBFL-ZDUSSCGKSA-N 2 1 252.402 2.020 20 0 CEADMP CC[C@]1(O)CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000640031486 371754900 /nfs/dbraw/zinc/75/49/00/371754900.db2.gz TZRNNUWEMHOUIO-CABCVRRESA-N 2 1 254.418 2.098 20 0 CEADMP CC[C@@]1(O)CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000640036832 371759790 /nfs/dbraw/zinc/75/97/90/371759790.db2.gz XWYTWVOORZQUMI-OAHLLOKOSA-N 2 1 265.401 2.209 20 0 CEADMP CC[C@@]1(O)CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000640036832 371759793 /nfs/dbraw/zinc/75/97/93/371759793.db2.gz XWYTWVOORZQUMI-OAHLLOKOSA-N 2 1 265.401 2.209 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000361301730 371769117 /nfs/dbraw/zinc/76/91/17/371769117.db2.gz QTWRSLVTZOIZHH-ZNMIVQPWSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)CC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000361301730 371769123 /nfs/dbraw/zinc/76/91/23/371769123.db2.gz QTWRSLVTZOIZHH-ZNMIVQPWSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)CC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361301730 371769126 /nfs/dbraw/zinc/76/91/26/371769126.db2.gz QTWRSLVTZOIZHH-ZNMIVQPWSA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)CC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361301730 371769130 /nfs/dbraw/zinc/76/91/30/371769130.db2.gz QTWRSLVTZOIZHH-ZNMIVQPWSA-N 2 1 256.434 2.198 20 0 CEADMP CCc1noc([C@H](C)[NH+]2CCC(CC[NH2+]C)CC2)n1 ZINC000261978365 371788025 /nfs/dbraw/zinc/78/80/25/371788025.db2.gz GXPSVKRHKNVTKM-NSHDSACASA-N 2 1 266.389 2.015 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000262011086 371799552 /nfs/dbraw/zinc/79/95/52/371799552.db2.gz VCXYSKJBKJKCEB-CYBMUJFWSA-N 2 1 250.390 2.025 20 0 CEADMP Cc1cccc(C)c1OCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000262071046 371817238 /nfs/dbraw/zinc/81/72/38/371817238.db2.gz CHTZZWYBTSSRPV-MRXNPFEDSA-N 2 1 262.397 2.353 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000353345821 220037937 /nfs/dbraw/zinc/03/79/37/220037937.db2.gz LLZPJGQCULGYBG-HZSPNIEDSA-N 2 1 282.428 2.323 20 0 CEADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000353345821 220037940 /nfs/dbraw/zinc/03/79/40/220037940.db2.gz LLZPJGQCULGYBG-HZSPNIEDSA-N 2 1 282.428 2.323 20 0 CEADMP c1nn(-c2ccccc2)c2c1C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000262284979 371847374 /nfs/dbraw/zinc/84/73/74/371847374.db2.gz VFPIWGQOGXSVGN-UHFFFAOYSA-N 2 1 296.418 2.230 20 0 CEADMP Cc1ncsc1CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000361478800 371866978 /nfs/dbraw/zinc/86/69/78/371866978.db2.gz OYNFUQBOKGISPB-QLFBSQMISA-N 2 1 291.464 2.410 20 0 CEADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000361478800 371866980 /nfs/dbraw/zinc/86/69/80/371866980.db2.gz OYNFUQBOKGISPB-QLFBSQMISA-N 2 1 291.464 2.410 20 0 CEADMP Cc1ncsc1CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000361478800 371866985 /nfs/dbraw/zinc/86/69/85/371866985.db2.gz OYNFUQBOKGISPB-QLFBSQMISA-N 2 1 291.464 2.410 20 0 CEADMP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361501639 371882866 /nfs/dbraw/zinc/88/28/66/371882866.db2.gz SFEGLATZWFFIJU-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)CC[N@H+]1C ZINC000344123893 217061113 /nfs/dbraw/zinc/06/11/13/217061113.db2.gz FXVQTMZITAJBHM-DTZQCDIJSA-N 2 1 266.429 2.264 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCNC(=O)CC1 ZINC000640533413 372023604 /nfs/dbraw/zinc/02/36/04/372023604.db2.gz ICYJKEXHPFNWAE-MRXNPFEDSA-N 2 1 295.471 2.101 20 0 CEADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000361879624 372110889 /nfs/dbraw/zinc/11/08/89/372110889.db2.gz INCDZDONOLBRQI-ROUUACIJSA-N 2 1 288.435 2.402 20 0 CEADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000361879624 372110896 /nfs/dbraw/zinc/11/08/96/372110896.db2.gz INCDZDONOLBRQI-ROUUACIJSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)CC[N@H+]1C ZINC000361810512 372080949 /nfs/dbraw/zinc/08/09/49/372080949.db2.gz FJDZOYXURCAZBF-KBPBESRZSA-N 2 1 254.418 2.002 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683837857 541868009 /nfs/dbraw/zinc/86/80/09/541868009.db2.gz FXHSVTAVJQVVHH-UHFFFAOYSA-N 2 1 299.418 2.171 20 0 CEADMP CC1(C)C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000268825423 372241482 /nfs/dbraw/zinc/24/14/82/372241482.db2.gz ITWDYTMFMLRDRI-PBHICJAKSA-N 2 1 288.435 2.455 20 0 CEADMP COC(=O)[C@H]1CC12CC[NH+](CC[C@H]1CCCC[N@@H+]1C)CC2 ZINC000351598689 284313559 /nfs/dbraw/zinc/31/35/59/284313559.db2.gz UKPHAXLWLHKUJF-HUUCEWRRSA-N 2 1 294.439 2.136 20 0 CEADMP COC(=O)[C@H]1CC12CC[NH+](CC[C@H]1CCCC[N@H+]1C)CC2 ZINC000351598689 284313561 /nfs/dbraw/zinc/31/35/61/284313561.db2.gz UKPHAXLWLHKUJF-HUUCEWRRSA-N 2 1 294.439 2.136 20 0 CEADMP COCC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CC[C@H](C)C1 ZINC000362149174 372243798 /nfs/dbraw/zinc/24/37/98/372243798.db2.gz LBXVFKUBCRMJDF-DZGCQCFKSA-N 2 1 265.401 2.329 20 0 CEADMP COCC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CC[C@H](C)C1 ZINC000362149174 372243808 /nfs/dbraw/zinc/24/38/08/372243808.db2.gz LBXVFKUBCRMJDF-DZGCQCFKSA-N 2 1 265.401 2.329 20 0 CEADMP CNC(=O)C[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000268831082 372245325 /nfs/dbraw/zinc/24/53/25/372245325.db2.gz OIJSHTTVEDRECY-AWEZNQCLSA-N 2 1 291.439 2.141 20 0 CEADMP CC(C)(C)CCCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641049956 372256683 /nfs/dbraw/zinc/25/66/83/372256683.db2.gz QOLAWQATRWRSPP-UHFFFAOYSA-N 2 1 293.459 2.070 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(O)cc2)CC1 ZINC000268861345 372259961 /nfs/dbraw/zinc/25/99/61/372259961.db2.gz JNTVAMDAJOVVNE-CQSZACIVSA-N 2 1 292.423 2.024 20 0 CEADMP C[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268869745 372265039 /nfs/dbraw/zinc/26/50/39/372265039.db2.gz UWOSPGWLHYORFE-YCPHGPKFSA-N 2 1 262.397 2.010 20 0 CEADMP C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268869745 372265045 /nfs/dbraw/zinc/26/50/45/372265045.db2.gz UWOSPGWLHYORFE-YCPHGPKFSA-N 2 1 262.397 2.010 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000268920005 372287873 /nfs/dbraw/zinc/28/78/73/372287873.db2.gz UGIPKUIPQNOJLW-AWEZNQCLSA-N 2 1 294.443 2.208 20 0 CEADMP CC[N@@H+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC000683863260 541873955 /nfs/dbraw/zinc/87/39/55/541873955.db2.gz NPJWTPNWBCRJGN-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1ncc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000344316948 217146897 /nfs/dbraw/zinc/14/68/97/217146897.db2.gz KJVVKKPOJGYZPI-CQSZACIVSA-N 2 1 264.417 2.241 20 0 CEADMP CC[N@H+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC000683863260 541873957 /nfs/dbraw/zinc/87/39/57/541873957.db2.gz NPJWTPNWBCRJGN-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CN(C)c1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc[nH+]1 ZINC000269260062 372398244 /nfs/dbraw/zinc/39/82/44/372398244.db2.gz MDWYVXSVYNXNBK-XBFCOCLRSA-N 2 1 288.395 2.007 20 0 CEADMP C[C@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)[C@@H]([NH3+])c1ccccc1 ZINC000269263062 372399944 /nfs/dbraw/zinc/39/99/44/372399944.db2.gz NYDZRALUXOMPTE-BLLLJJGKSA-N 2 1 298.390 2.422 20 0 CEADMP CC[C@@H](C(=O)N(C)CCCn1cc[nH+]c1C)[NH+](CC)CC ZINC000269650929 372519881 /nfs/dbraw/zinc/51/98/81/372519881.db2.gz JGPKIJUOPVSDFC-HNNXBMFYSA-N 2 1 294.443 2.160 20 0 CEADMP CC[N@@H+](CC(=O)Nc1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000269728091 372549634 /nfs/dbraw/zinc/54/96/34/372549634.db2.gz ZOCUHHTYJAXBNX-UHFFFAOYSA-N 2 1 275.396 2.171 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C(C)(C)O1 ZINC000363702059 372645395 /nfs/dbraw/zinc/64/53/95/372645395.db2.gz XFRXTTCMDPFRFK-CHWSQXEVSA-N 2 1 277.412 2.381 20 0 CEADMP Nc1cnccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000641712029 372647251 /nfs/dbraw/zinc/64/72/51/372647251.db2.gz HRDFYBGYYIKRDA-UHFFFAOYSA-N 2 1 288.439 2.408 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641802707 372745419 /nfs/dbraw/zinc/74/54/19/372745419.db2.gz AUFDELZHVALMJW-QEJZJMRPSA-N 2 1 289.423 2.346 20 0 CEADMP CCc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641803216 372748904 /nfs/dbraw/zinc/74/89/04/372748904.db2.gz BOPUXTBUJQFFTJ-TUKIKUTGSA-N 2 1 289.423 2.291 20 0 CEADMP CCc1cccc(C)c1NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641804791 372749376 /nfs/dbraw/zinc/74/93/76/372749376.db2.gz JTTSXZAAHMWCOL-UONOGXRCSA-N 2 1 289.423 2.211 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cn2)[C@@H]2CCC[C@@H]21 ZINC000353409270 220067928 /nfs/dbraw/zinc/06/79/28/220067928.db2.gz WHPWYCDBIBJTPD-KKUMJFAQSA-N 2 1 263.360 2.183 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cn2)[C@@H]2CCC[C@@H]21 ZINC000353409270 220067931 /nfs/dbraw/zinc/06/79/31/220067931.db2.gz WHPWYCDBIBJTPD-KKUMJFAQSA-N 2 1 263.360 2.183 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c(C)c1 ZINC000641807122 372754784 /nfs/dbraw/zinc/75/47/84/372754784.db2.gz QRWMEZUBCLLKSX-NWANDNLSSA-N 2 1 289.423 2.346 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641808173 372755124 /nfs/dbraw/zinc/75/51/24/372755124.db2.gz XJFOWDWAYZRDSP-YUTCNCBUSA-N 2 1 275.396 2.037 20 0 CEADMP Cc1cc(C)c(NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c(C)c1 ZINC000641808321 372756677 /nfs/dbraw/zinc/75/66/77/372756677.db2.gz XYMVYCWZBFTFJL-KGLIPLIRSA-N 2 1 289.423 2.266 20 0 CEADMP CCc1nc(C)c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000641797253 372735616 /nfs/dbraw/zinc/73/56/16/372735616.db2.gz ZFFXSKXTOBWANE-ZYHUDNBSSA-N 2 1 251.374 2.105 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000641797253 372735624 /nfs/dbraw/zinc/73/56/24/372735624.db2.gz ZFFXSKXTOBWANE-ZYHUDNBSSA-N 2 1 251.374 2.105 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCOC[C@@H]2CCCO2)[C@@H]2CCC[C@@H]21 ZINC000353453672 220090198 /nfs/dbraw/zinc/09/01/98/220090198.db2.gz GKGJWYCANWLEQP-QAETUUGQSA-N 2 1 296.455 2.035 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)c1ccc(F)cc1 ZINC000270660159 372889159 /nfs/dbraw/zinc/88/91/59/372889159.db2.gz VQJNOXGFVGUGBQ-MRXNPFEDSA-N 2 1 280.387 2.277 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)c1ccc(F)cc1 ZINC000270660159 372889169 /nfs/dbraw/zinc/88/91/69/372889169.db2.gz VQJNOXGFVGUGBQ-MRXNPFEDSA-N 2 1 280.387 2.277 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1-n1cncn1 ZINC000344662170 217266068 /nfs/dbraw/zinc/26/60/68/217266068.db2.gz FRNOMPDZWRMFJB-GOEBONIOSA-N 2 1 299.422 2.148 20 0 CEADMP CC1(C)C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C(C)(C)CO1 ZINC000643057898 372938482 /nfs/dbraw/zinc/93/84/82/372938482.db2.gz XSKXCUXUYFXRIF-ZDUSSCGKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H](C(F)(F)F)O1 ZINC000643058123 372938534 /nfs/dbraw/zinc/93/85/34/372938534.db2.gz DGILGALSUXXHFZ-UTUOFQBUSA-N 2 1 280.334 2.028 20 0 CEADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H](C(F)(F)F)O1 ZINC000643058123 372938535 /nfs/dbraw/zinc/93/85/35/372938535.db2.gz DGILGALSUXXHFZ-UTUOFQBUSA-N 2 1 280.334 2.028 20 0 CEADMP Cc1ccnc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000353521900 220133805 /nfs/dbraw/zinc/13/38/05/220133805.db2.gz QUNDZCXYJIHFPB-INIZCTEOSA-N 2 1 290.455 2.068 20 0 CEADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000643353272 373083495 /nfs/dbraw/zinc/08/34/95/373083495.db2.gz BXPZLBZGBRFQAU-MRXNPFEDSA-N 2 1 292.423 2.238 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc3c(s2)CCC3)C[C@H]1C[NH3+] ZINC000643427639 373115011 /nfs/dbraw/zinc/11/50/11/373115011.db2.gz HAWLFXAXEZFSDQ-IJLUTSLNSA-N 2 1 279.453 2.437 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc3c(s2)CCC3)C[C@H]1C[NH3+] ZINC000643427639 373115017 /nfs/dbraw/zinc/11/50/17/373115017.db2.gz HAWLFXAXEZFSDQ-IJLUTSLNSA-N 2 1 279.453 2.437 20 0 CEADMP C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1c[nH+]ccc1N ZINC000643453736 373123823 /nfs/dbraw/zinc/12/38/23/373123823.db2.gz WAIVESHTKIWVNB-WCQYABFASA-N 2 1 253.349 2.485 20 0 CEADMP C(C1CC1)[N@H+]1CC[C@@H](N[C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000643462660 373130817 /nfs/dbraw/zinc/13/08/17/373130817.db2.gz ABCFZMPBIFDPFQ-XDNAFOTISA-N 2 1 291.483 2.371 20 0 CEADMP C(C1CC1)N1CC[C@@H]([NH2+][C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000643462660 373130829 /nfs/dbraw/zinc/13/08/29/373130829.db2.gz ABCFZMPBIFDPFQ-XDNAFOTISA-N 2 1 291.483 2.371 20 0 CEADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000643462998 373133245 /nfs/dbraw/zinc/13/32/45/373133245.db2.gz YJMYWDFWBUVJHT-CORIIIEPSA-N 2 1 295.377 2.274 20 0 CEADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000643466361 373134801 /nfs/dbraw/zinc/13/48/01/373134801.db2.gz MHOZFCDZFNILPA-QWHCGFSZSA-N 2 1 296.798 2.471 20 0 CEADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000643471926 373141381 /nfs/dbraw/zinc/14/13/81/373141381.db2.gz SHUBVOBVQPCRQM-UKRRQHHQSA-N 2 1 277.412 2.347 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000643526054 373183238 /nfs/dbraw/zinc/18/32/38/373183238.db2.gz OIDVZRYRIZFGGG-IUCAKERBSA-N 2 1 257.175 2.447 20 0 CEADMP Cc1ncc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(C)n1 ZINC000643546418 373203026 /nfs/dbraw/zinc/20/30/26/373203026.db2.gz ONOHHQSEKHPZFP-JSGCOSHPSA-N 2 1 274.412 2.419 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)[C@H]2CCC[C@@H]21 ZINC000353610209 220187331 /nfs/dbraw/zinc/18/73/31/220187331.db2.gz VNNHOOFQBDXDNV-WOPDTQHZSA-N 2 1 258.356 2.494 20 0 CEADMP C[C@H](CCO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272453555 373492983 /nfs/dbraw/zinc/49/29/83/373492983.db2.gz GLDMZGZULRTWIK-BFYDXBDKSA-N 2 1 276.424 2.258 20 0 CEADMP CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000644532817 373515306 /nfs/dbraw/zinc/51/53/06/373515306.db2.gz QLKVDJHUWMEGMB-ZIAGYGMSSA-N 2 1 282.453 2.321 20 0 CEADMP CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000644532817 373515314 /nfs/dbraw/zinc/51/53/14/373515314.db2.gz QLKVDJHUWMEGMB-ZIAGYGMSSA-N 2 1 282.453 2.321 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)[C@H](C)C1 ZINC000644550171 373524182 /nfs/dbraw/zinc/52/41/82/373524182.db2.gz MVQZPLFABQYLHX-FVCCEPFGSA-N 2 1 294.361 2.152 20 0 CEADMP CC(C)[NH+]1CCC(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000132638292 220206599 /nfs/dbraw/zinc/20/65/99/220206599.db2.gz FDDUDYLNVPPFQR-HIFRSBDPSA-N 2 1 265.445 2.074 20 0 CEADMP CC/C=C\C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644657909 373587365 /nfs/dbraw/zinc/58/73/65/373587365.db2.gz IQWFLFBWYLBWDK-FAOGRTBUSA-N 2 1 262.397 2.035 20 0 CEADMP CC/C=C\C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644657909 373587368 /nfs/dbraw/zinc/58/73/68/373587368.db2.gz IQWFLFBWYLBWDK-FAOGRTBUSA-N 2 1 262.397 2.035 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCCC(C)(C)C1)C1CC1 ZINC000644664852 373592424 /nfs/dbraw/zinc/59/24/24/373592424.db2.gz FZTKXPHAZBKUCG-DZGCQCFKSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCCC(C)(C)C1)C1CC1 ZINC000644664852 373592431 /nfs/dbraw/zinc/59/24/31/373592431.db2.gz FZTKXPHAZBKUCG-DZGCQCFKSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000644664463 373592578 /nfs/dbraw/zinc/59/25/78/373592578.db2.gz ZQOWDZKMTZDIET-KSZLIROESA-N 2 1 288.435 2.115 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000644664463 373592588 /nfs/dbraw/zinc/59/25/88/373592588.db2.gz ZQOWDZKMTZDIET-KSZLIROESA-N 2 1 288.435 2.115 20 0 CEADMP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247168616 220219250 /nfs/dbraw/zinc/21/92/50/220219250.db2.gz YHILVGQFIFVZHV-IXYNUQLISA-N 2 1 278.444 2.146 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247168616 220219252 /nfs/dbraw/zinc/21/92/52/220219252.db2.gz YHILVGQFIFVZHV-IXYNUQLISA-N 3 1 278.444 2.146 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247168616 220219254 /nfs/dbraw/zinc/21/92/54/220219254.db2.gz YHILVGQFIFVZHV-IXYNUQLISA-N 3 1 278.444 2.146 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)n1 ZINC000370746922 373736923 /nfs/dbraw/zinc/73/69/23/373736923.db2.gz JPMQVJOOCKPSSZ-UKRRQHHQSA-N 2 1 299.422 2.138 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)n1 ZINC000370746922 373736931 /nfs/dbraw/zinc/73/69/31/373736931.db2.gz JPMQVJOOCKPSSZ-UKRRQHHQSA-N 2 1 299.422 2.138 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000371206404 373813648 /nfs/dbraw/zinc/81/36/48/373813648.db2.gz YQMDVQBPUWTJLZ-MRXNPFEDSA-N 2 1 287.411 2.461 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000371206404 373813655 /nfs/dbraw/zinc/81/36/55/373813655.db2.gz YQMDVQBPUWTJLZ-MRXNPFEDSA-N 2 1 287.411 2.461 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000371205905 373813681 /nfs/dbraw/zinc/81/36/81/373813681.db2.gz VYLGXAOXKXDRFQ-MRXNPFEDSA-N 2 1 276.428 2.351 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCC[NH+]1CCCC1 ZINC000371205905 373813688 /nfs/dbraw/zinc/81/36/88/373813688.db2.gz VYLGXAOXKXDRFQ-MRXNPFEDSA-N 2 1 276.428 2.351 20 0 CEADMP CN(CC[N@H+](C)CCc1nc2ccccc2n1C)C1CC1 ZINC000274522542 373950795 /nfs/dbraw/zinc/95/07/95/373950795.db2.gz YSIJROMBFAWSSJ-UHFFFAOYSA-N 2 1 286.423 2.142 20 0 CEADMP CN(CC[N@@H+](C)CCc1nc2ccccc2n1C)C1CC1 ZINC000274522542 373950800 /nfs/dbraw/zinc/95/08/00/373950800.db2.gz YSIJROMBFAWSSJ-UHFFFAOYSA-N 2 1 286.423 2.142 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000372255456 374077504 /nfs/dbraw/zinc/07/75/04/374077504.db2.gz MEVZINZNIQAFIO-IAGOWNOFSA-N 2 1 279.472 2.421 20 0 CEADMP CN(CC[N@H+](C)C1CC1)c1cc[nH+]cc1Br ZINC000274744125 374034563 /nfs/dbraw/zinc/03/45/63/374034563.db2.gz FZSQTZYAUXNDPS-UHFFFAOYSA-N 2 1 284.201 2.375 20 0 CEADMP CN(CC[N@@H+](C)C1CC1)c1cc[nH+]cc1Br ZINC000274744125 374034567 /nfs/dbraw/zinc/03/45/67/374034567.db2.gz FZSQTZYAUXNDPS-UHFFFAOYSA-N 2 1 284.201 2.375 20 0 CEADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000372064542 374035923 /nfs/dbraw/zinc/03/59/23/374035923.db2.gz FYFWKPBZPVTJAS-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP COCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000372064542 374035929 /nfs/dbraw/zinc/03/59/29/374035929.db2.gz FYFWKPBZPVTJAS-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP COc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c(OC)c1 ZINC000275273382 374203431 /nfs/dbraw/zinc/20/34/31/374203431.db2.gz LWRFHHSQMFXLJJ-XJKSGUPXSA-N 2 1 292.423 2.476 20 0 CEADMP CCN(CC)C(=O)C[N@@H+](C)CCCc1cnccc1C ZINC000275220418 374189988 /nfs/dbraw/zinc/18/99/88/374189988.db2.gz JMMAUWIGJDWSJG-UHFFFAOYSA-N 2 1 277.412 2.123 20 0 CEADMP CCN(CC)C(=O)CN(C)CCCc1cnccc1C ZINC000275220418 374189994 /nfs/dbraw/zinc/18/99/94/374189994.db2.gz JMMAUWIGJDWSJG-UHFFFAOYSA-N 2 1 277.412 2.123 20 0 CEADMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cccc3nccn32)C1 ZINC000373234104 374302041 /nfs/dbraw/zinc/30/20/41/374302041.db2.gz UYGXLTFPNPKWNU-AWEZNQCLSA-N 2 1 295.390 2.447 20 0 CEADMP CC(C)[NH2+]CCN1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000373375029 374339917 /nfs/dbraw/zinc/33/99/17/374339917.db2.gz CZFQFQHQMBCZGY-OAHLLOKOSA-N 3 1 279.472 2.181 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000276962669 374361518 /nfs/dbraw/zinc/36/15/18/374361518.db2.gz MMJPSQFPXLNBDI-UHFFFAOYSA-N 2 1 287.411 2.221 20 0 CEADMP Cc1c[nH+]ccc1NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000373518352 374372909 /nfs/dbraw/zinc/37/29/09/374372909.db2.gz CRWVMBNROKZDFR-RHSMWYFYSA-N 2 1 299.422 2.040 20 0 CEADMP CN(CCCC[NH+](C)C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000684164613 541935389 /nfs/dbraw/zinc/93/53/89/541935389.db2.gz ZPRDYPFBSCFEIM-UHFFFAOYSA-N 2 1 297.487 2.441 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000374192564 374508400 /nfs/dbraw/zinc/50/84/00/374508400.db2.gz HBNXUNWNPUQSEO-HOTGVXAUSA-N 2 1 276.428 2.489 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000374192564 374508403 /nfs/dbraw/zinc/50/84/03/374508403.db2.gz HBNXUNWNPUQSEO-HOTGVXAUSA-N 2 1 276.428 2.489 20 0 CEADMP C[NH2+]CCCC(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000374460804 374576865 /nfs/dbraw/zinc/57/68/65/374576865.db2.gz JTRRXQIKHVIGOR-CQSZACIVSA-N 2 1 292.427 2.170 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000374419439 374568611 /nfs/dbraw/zinc/56/86/11/374568611.db2.gz HIXUZDMPRYBOQQ-IXDOHACOSA-N 2 1 274.408 2.370 20 0 CEADMP CCCCOC(=O)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000374598668 374610741 /nfs/dbraw/zinc/61/07/41/374610741.db2.gz ZVGOGMBFXWIGHW-UHFFFAOYSA-N 2 1 282.428 2.280 20 0 CEADMP CCCCOC(=O)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000374598668 374610748 /nfs/dbraw/zinc/61/07/48/374610748.db2.gz ZVGOGMBFXWIGHW-UHFFFAOYSA-N 2 1 282.428 2.280 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)c1ncnc(N)c1Cl ZINC000277695589 374612855 /nfs/dbraw/zinc/61/28/55/374612855.db2.gz GEQWHLWPCXFPBB-JTQLQIEISA-N 2 1 283.807 2.023 20 0 CEADMP Cc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)ccc1F ZINC000277888825 374677120 /nfs/dbraw/zinc/67/71/20/374677120.db2.gz VWJGUYSAEBJKCC-UHFFFAOYSA-N 2 1 293.430 2.203 20 0 CEADMP CC(C)c1nccn1C[C@H]1CCC[N@H+]1[C@H]1CCOC1 ZINC000375829253 374680712 /nfs/dbraw/zinc/68/07/12/374680712.db2.gz IVXVPCISZMCLLU-KGLIPLIRSA-N 2 1 263.385 2.260 20 0 CEADMP C[N@H+]1CC[C@H](NCc2cscn2)[C@H]2CCC[C@H]21 ZINC000377124218 374796158 /nfs/dbraw/zinc/79/61/58/374796158.db2.gz DFRMTLGSAFDGAB-FRRDWIJNSA-N 2 1 251.399 2.106 20 0 CEADMP CC(C)[C@@](C)(O)C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000377262866 374826349 /nfs/dbraw/zinc/82/63/49/374826349.db2.gz SJHBYSJIXOMPKF-ZFWWWQNUSA-N 2 1 265.401 2.007 20 0 CEADMP c1ccc(C2CC([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)nc1 ZINC000377539428 374877706 /nfs/dbraw/zinc/87/77/06/374877706.db2.gz DJPDKGLZWKATCF-NFOMZHRRSA-N 2 1 271.408 2.402 20 0 CEADMP C[C@H]([NH2+]CCCCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279479318 374891048 /nfs/dbraw/zinc/89/10/48/374891048.db2.gz KQCOMXIYJCZWLL-DOTOQJQBSA-N 2 1 276.424 2.259 20 0 CEADMP Cc1cnn([C@H]2CC[N@H+](CCCCn3cc[nH+]c3C)C2)c1 ZINC000377725398 374935468 /nfs/dbraw/zinc/93/54/68/374935468.db2.gz NQWJVRZHFCHVFR-INIZCTEOSA-N 2 1 287.411 2.424 20 0 CEADMP Cc1cnn([C@H]2CC[N@@H+](CCCCn3cc[nH+]c3C)C2)c1 ZINC000377725398 374935470 /nfs/dbraw/zinc/93/54/70/374935470.db2.gz NQWJVRZHFCHVFR-INIZCTEOSA-N 2 1 287.411 2.424 20 0 CEADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)CC1 ZINC000377627908 374904563 /nfs/dbraw/zinc/90/45/63/374904563.db2.gz PQXBDXHCHCEQNN-ROUUACIJSA-N 2 1 291.483 2.302 20 0 CEADMP CC[N@@H+](CCNc1cc[nH+]cc1-c1cccnc1)C1CC1 ZINC000377980982 374992169 /nfs/dbraw/zinc/99/21/69/374992169.db2.gz CDFNFHDTYIZKPZ-UHFFFAOYSA-N 2 1 282.391 2.462 20 0 CEADMP Cc1[nH+]c(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2n1CCCC2 ZINC000378431173 375099574 /nfs/dbraw/zinc/09/95/74/375099574.db2.gz NXTIUYZWONJVSN-CABCVRRESA-N 2 1 288.439 2.244 20 0 CEADMP Cc1[nH+]c(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2n1CCCC2 ZINC000378431173 375099577 /nfs/dbraw/zinc/09/95/77/375099577.db2.gz NXTIUYZWONJVSN-CABCVRRESA-N 2 1 288.439 2.244 20 0 CEADMP C[C@H](CC[NH2+][C@@H](C)[C@H](C)O)[N@@H+](C)Cc1ccccc1 ZINC000379651487 375156452 /nfs/dbraw/zinc/15/64/52/375156452.db2.gz UPEHDZZJAOBMHX-ILXRZTDVSA-N 2 1 264.413 2.256 20 0 CEADMP C[C@@H]1CCC[C@H](CC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000388419344 375291269 /nfs/dbraw/zinc/29/12/69/375291269.db2.gz NBWHNPGUPNRFBR-IIAWOOMASA-N 2 1 268.445 2.248 20 0 CEADMP C[C@@H]1CCC[C@H](CC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000388419344 375291279 /nfs/dbraw/zinc/29/12/79/375291279.db2.gz NBWHNPGUPNRFBR-IIAWOOMASA-N 2 1 268.445 2.248 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)C(C)(C)C)C1CC1 ZINC000386581039 375262128 /nfs/dbraw/zinc/26/21/28/375262128.db2.gz ZUGLAISRMYSBQK-CYBMUJFWSA-N 2 1 256.434 2.103 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)C(C)(C)C)C1CC1 ZINC000386581039 375262135 /nfs/dbraw/zinc/26/21/35/375262135.db2.gz ZUGLAISRMYSBQK-CYBMUJFWSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@@H]([NH2+]CCc1ccccc1F)[C@H]1CCCC[NH2+]1 ZINC000386614077 375264218 /nfs/dbraw/zinc/26/42/18/375264218.db2.gz XDUBADMDDASBBY-IUODEOHRSA-N 2 1 250.361 2.488 20 0 CEADMP Cc1cncc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282193973 375424673 /nfs/dbraw/zinc/42/46/73/375424673.db2.gz GJJBWJCUYUBOGQ-OAHLLOKOSA-N 2 1 290.455 2.067 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000684407014 541997062 /nfs/dbraw/zinc/99/70/62/541997062.db2.gz BQSSNPWTGAZQQW-ARFHVFGLSA-N 2 1 284.444 2.035 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000684407014 541997064 /nfs/dbraw/zinc/99/70/64/541997064.db2.gz BQSSNPWTGAZQQW-ARFHVFGLSA-N 2 1 284.444 2.035 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)no1 ZINC000282834044 375588792 /nfs/dbraw/zinc/58/87/92/375588792.db2.gz SKGICGHDRKEOAA-CMPLNLGQSA-N 2 1 262.357 2.475 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000414171698 375800544 /nfs/dbraw/zinc/80/05/44/375800544.db2.gz DNXOBHAKCPDGQQ-SWLSCSKDSA-N 2 1 276.428 2.476 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CS1 ZINC000414234072 375804007 /nfs/dbraw/zinc/80/40/07/375804007.db2.gz SGVHXEPNXPVHLE-HTOAHKCRSA-N 2 1 254.443 2.343 20 0 CEADMP CCc1ncc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cn1 ZINC000414283872 375820154 /nfs/dbraw/zinc/82/01/54/375820154.db2.gz GALILCDWKUPIDS-AWEZNQCLSA-N 2 1 276.428 2.251 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000286148520 375857572 /nfs/dbraw/zinc/85/75/72/375857572.db2.gz PIMOKKZZJIOSAL-CYBMUJFWSA-N 2 1 296.378 2.123 20 0 CEADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@]1(CO)CC(C)C ZINC000414759538 375952817 /nfs/dbraw/zinc/95/28/17/375952817.db2.gz OSVZYOJBIMSUGS-LSDHHAIUSA-N 2 1 256.434 2.233 20 0 CEADMP Clc1ccc(-n2cc(C[NH2+]C3CC[NH2+]CC3)cn2)cc1 ZINC000414781249 375966147 /nfs/dbraw/zinc/96/61/47/375966147.db2.gz BUPMHUSUKALRTL-UHFFFAOYSA-N 2 1 290.798 2.367 20 0 CEADMP c1cc2c(c(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c1)OCO2 ZINC000414788907 375971654 /nfs/dbraw/zinc/97/16/54/375971654.db2.gz XLZQCMKBRWVYEM-ZIAGYGMSSA-N 2 1 288.391 2.237 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1O ZINC000414685955 375916399 /nfs/dbraw/zinc/91/63/99/375916399.db2.gz FJWCQSMVRNTEBV-GXTWGEPZSA-N 2 1 278.396 2.221 20 0 CEADMP [NH3+]CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000414697531 375924612 /nfs/dbraw/zinc/92/46/12/375924612.db2.gz CDDHDKHGYMWJOF-ZWKOTPCHSA-N 2 1 287.451 2.322 20 0 CEADMP COC(=O)C1([N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)CCCCC1 ZINC000414697695 375925915 /nfs/dbraw/zinc/92/59/15/375925915.db2.gz QBJNZYTVXFZHES-KBPBESRZSA-N 2 1 282.428 2.182 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000414712201 375935946 /nfs/dbraw/zinc/93/59/46/375935946.db2.gz SWDSDNDAEJVBHG-JONQDZQNSA-N 3 1 267.461 2.037 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000414712201 375935952 /nfs/dbraw/zinc/93/59/52/375935952.db2.gz SWDSDNDAEJVBHG-JONQDZQNSA-N 3 1 267.461 2.037 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000414712201 375935959 /nfs/dbraw/zinc/93/59/59/375935959.db2.gz SWDSDNDAEJVBHG-JONQDZQNSA-N 3 1 267.461 2.037 20 0 CEADMP CCN1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000414712201 375935965 /nfs/dbraw/zinc/93/59/65/375935965.db2.gz SWDSDNDAEJVBHG-JONQDZQNSA-N 2 1 267.461 2.037 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000414712201 375935970 /nfs/dbraw/zinc/93/59/70/375935970.db2.gz SWDSDNDAEJVBHG-JONQDZQNSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H](CCO)c2ccccc2)CC[NH2+]1 ZINC000414718567 375938885 /nfs/dbraw/zinc/93/88/85/375938885.db2.gz ZJMDDGLONMIRKF-INMHGKMJSA-N 2 1 276.424 2.430 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000414745642 375947693 /nfs/dbraw/zinc/94/76/93/375947693.db2.gz RAQSPPSKKRWQNY-GJZGRUSLSA-N 2 1 254.418 2.251 20 0 CEADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1 ZINC000414808230 375993718 /nfs/dbraw/zinc/99/37/18/375993718.db2.gz DWZOYGJPIBSORW-PBWFPOADSA-N 2 1 276.380 2.076 20 0 CEADMP C[C@H]([NH3+])CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000414819638 376006652 /nfs/dbraw/zinc/00/66/52/376006652.db2.gz HZROOEQVXQJTNY-DZKIICNBSA-N 3 1 267.461 2.356 20 0 CEADMP COC1CCC([NH2+]C[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000414925654 376012722 /nfs/dbraw/zinc/01/27/22/376012722.db2.gz IVXZOFRFBVYWDV-JXQTWKCFSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415125987 376022458 /nfs/dbraw/zinc/02/24/58/376022458.db2.gz LRWNDUSKBGJIRI-YCPHGPKFSA-N 2 1 268.445 2.356 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000414802289 375987255 /nfs/dbraw/zinc/98/72/55/375987255.db2.gz VLGNZUQKOOZHCI-DJIMGWMZSA-N 2 1 275.440 2.080 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000414802289 375987265 /nfs/dbraw/zinc/98/72/65/375987265.db2.gz VLGNZUQKOOZHCI-DJIMGWMZSA-N 2 1 275.440 2.080 20 0 CEADMP CCC[C@@](C)([NH3+])C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000262112040 190048467 /nfs/dbraw/zinc/04/84/67/190048467.db2.gz HGLBPZPCHMLYCD-QGZVFWFLSA-N 2 1 291.439 2.272 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000262112039 190048766 /nfs/dbraw/zinc/04/87/66/190048766.db2.gz HGLBPZPCHMLYCD-KRWDZBQOSA-N 2 1 291.439 2.272 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287748153 376308809 /nfs/dbraw/zinc/30/88/09/376308809.db2.gz LMNWLPFAEZZUEX-DLBZAZTESA-N 2 1 289.423 2.157 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287748153 376308815 /nfs/dbraw/zinc/30/88/15/376308815.db2.gz LMNWLPFAEZZUEX-DLBZAZTESA-N 2 1 289.423 2.157 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287748153 376308820 /nfs/dbraw/zinc/30/88/20/376308820.db2.gz LMNWLPFAEZZUEX-DLBZAZTESA-N 2 1 289.423 2.157 20 0 CEADMP COc1cc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c(F)cn1 ZINC000287857685 376329464 /nfs/dbraw/zinc/32/94/64/376329464.db2.gz XDUNVCQQCLDILK-NEPJUHHUSA-N 2 1 293.386 2.364 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](CCOCC2CCC2)CC1 ZINC000419204891 376394161 /nfs/dbraw/zinc/39/41/61/376394161.db2.gz JKJGHXFAPPQJHC-UHFFFAOYSA-N 2 1 291.439 2.491 20 0 CEADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000556951995 376523753 /nfs/dbraw/zinc/52/37/53/376523753.db2.gz LOOHIZQVQNBTCJ-DOMZBBRYSA-N 2 1 293.386 2.275 20 0 CEADMP FC(F)(F)CO[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000557333443 376550970 /nfs/dbraw/zinc/55/09/70/376550970.db2.gz AYSCEJDPHQYJOB-OLZOCXBDSA-N 2 1 294.361 2.419 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NCc1cn2ccccc2n1 ZINC000289919525 376560144 /nfs/dbraw/zinc/56/01/44/376560144.db2.gz VGHKHKGEZNUZFE-CYBMUJFWSA-N 2 1 260.385 2.153 20 0 CEADMP C[C@@]1(CNCc2cc[nH]n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309745879 376603183 /nfs/dbraw/zinc/60/31/83/376603183.db2.gz UHPCCHMSGSGHDY-KRWDZBQOSA-N 2 1 284.407 2.412 20 0 CEADMP CCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1C ZINC000307970552 376575043 /nfs/dbraw/zinc/57/50/43/376575043.db2.gz GRVXPEUMBSOPOK-BPUTZDHNSA-N 2 1 276.428 2.079 20 0 CEADMP Cn1cncc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309854507 376607609 /nfs/dbraw/zinc/60/76/09/376607609.db2.gz BPTDHTXKTGIMRX-QGZVFWFLSA-N 2 1 298.434 2.422 20 0 CEADMP Cn1cncc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309854507 376607613 /nfs/dbraw/zinc/60/76/13/376607613.db2.gz BPTDHTXKTGIMRX-QGZVFWFLSA-N 2 1 298.434 2.422 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000558697568 376635166 /nfs/dbraw/zinc/63/51/66/376635166.db2.gz JSAYCOHJYYUBJX-JSGCOSHPSA-N 2 1 253.365 2.471 20 0 CEADMP CC1(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000558975042 376656733 /nfs/dbraw/zinc/65/67/33/376656733.db2.gz MZXUMNKWZXRIKE-INIZCTEOSA-N 2 1 274.408 2.143 20 0 CEADMP CC(C)c1cc(N2CC[C@@H](C)C[C@H]2C[NH3+])nc(N(C)C)[nH+]1 ZINC000420263523 376673892 /nfs/dbraw/zinc/67/38/92/376673892.db2.gz TWGXKMCAAPFKNH-OLZOCXBDSA-N 2 1 291.443 2.230 20 0 CEADMP OC[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000311890248 376694206 /nfs/dbraw/zinc/69/42/06/376694206.db2.gz YCAJCOZMLJKRMU-FZKCQIBNSA-N 2 1 266.429 2.002 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000312398759 376712491 /nfs/dbraw/zinc/71/24/91/376712491.db2.gz URTRHLCBCHSZEF-XHSDSOJGSA-N 2 1 276.428 2.124 20 0 CEADMP CC[C@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420984365 376757645 /nfs/dbraw/zinc/75/76/45/376757645.db2.gz SSCPZEIBUQJHGF-HNNXBMFYSA-N 2 1 267.461 2.277 20 0 CEADMP CCc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)on1 ZINC000560525564 376759292 /nfs/dbraw/zinc/75/92/92/376759292.db2.gz QISFKXHIOHIWMB-KFWWJZLASA-N 2 1 263.385 2.199 20 0 CEADMP CCc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)on1 ZINC000560525564 376759299 /nfs/dbraw/zinc/75/92/99/376759299.db2.gz QISFKXHIOHIWMB-KFWWJZLASA-N 2 1 263.385 2.199 20 0 CEADMP C[N@@H+](CCCn1ccnc1)Cc1cccc2nccn21 ZINC000290471565 376794765 /nfs/dbraw/zinc/79/47/65/376794765.db2.gz NOTQPRNVBQRFFL-UHFFFAOYSA-N 2 1 269.352 2.053 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)ccc21 ZINC000290527337 376821194 /nfs/dbraw/zinc/82/11/94/376821194.db2.gz QJNFVEWTFPGBHF-WBVHZDCISA-N 2 1 298.434 2.489 20 0 CEADMP Cn1cnc2cc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)ccc21 ZINC000290527337 376821202 /nfs/dbraw/zinc/82/12/02/376821202.db2.gz QJNFVEWTFPGBHF-WBVHZDCISA-N 2 1 298.434 2.489 20 0 CEADMP Cn1cnc2cc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)ccc21 ZINC000290527337 376821209 /nfs/dbraw/zinc/82/12/09/376821209.db2.gz QJNFVEWTFPGBHF-WBVHZDCISA-N 2 1 298.434 2.489 20 0 CEADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685452257 542141133 /nfs/dbraw/zinc/14/11/33/542141133.db2.gz HUZQFKKTZKCTSE-UHFFFAOYSA-N 3 1 293.455 2.011 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685452257 542141136 /nfs/dbraw/zinc/14/11/36/542141136.db2.gz HUZQFKKTZKCTSE-UHFFFAOYSA-N 3 1 293.455 2.011 20 0 CEADMP Cc1nc(F)ccc1CN1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000290514677 376814000 /nfs/dbraw/zinc/81/40/00/376814000.db2.gz PRSUVPPBHGHSTM-LSDHHAIUSA-N 2 1 277.387 2.445 20 0 CEADMP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC000561531539 376815742 /nfs/dbraw/zinc/81/57/42/376815742.db2.gz AONFPKAGFHHRKX-HNNXBMFYSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422977121 376899826 /nfs/dbraw/zinc/89/98/26/376899826.db2.gz JNEVQYFJCBYPPP-RYUDHWBXSA-N 2 1 271.364 2.482 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000422963485 376891623 /nfs/dbraw/zinc/89/16/23/376891623.db2.gz FZDMHFLASOVQPQ-OIISXLGYSA-N 2 1 290.451 2.376 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000423080008 376973904 /nfs/dbraw/zinc/97/39/04/376973904.db2.gz ZDHIHOXYOUZZIX-NKKGCODLSA-N 2 1 292.398 2.022 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H]1c1ccc(F)cc1 ZINC000562478192 376906289 /nfs/dbraw/zinc/90/62/89/376906289.db2.gz CIPQXQXDSXBECO-CVEARBPZSA-N 2 1 280.387 2.275 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422995993 376911906 /nfs/dbraw/zinc/91/19/06/376911906.db2.gz KUAVTTQQDWPOMZ-GVDBMIGSSA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422996352 376912014 /nfs/dbraw/zinc/91/20/14/376912014.db2.gz LMFUSZXESUJHQD-BZUAXINKSA-N 2 1 267.461 2.085 20 0 CEADMP CCC(CC)[C@H](CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)OC ZINC000423002077 376919063 /nfs/dbraw/zinc/91/90/63/376919063.db2.gz YHLCIDYOPINILM-CFVMTHIKSA-N 2 1 256.434 2.415 20 0 CEADMP C[C@H]([NH2+]CCSCC(F)(F)F)c1c[nH+]ccc1N ZINC000423019046 376934126 /nfs/dbraw/zinc/93/41/26/376934126.db2.gz TUPBJHRLGHWYOX-QMMMGPOBSA-N 2 1 279.331 2.440 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1c[nH+]ccc1N ZINC000423033898 376940287 /nfs/dbraw/zinc/94/02/87/376940287.db2.gz PCQXBFQWQNOSSD-FRRDWIJNSA-N 2 1 263.385 2.350 20 0 CEADMP CS[C@H](C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)C(C)(C)C ZINC000423036714 376943594 /nfs/dbraw/zinc/94/35/94/376943594.db2.gz UQLLIYTYWQWVCP-YNEHKIRRSA-N 2 1 274.474 2.121 20 0 CEADMP CC[C@H](CC(F)(F)F)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423039887 376943665 /nfs/dbraw/zinc/94/36/65/376943665.db2.gz RXXKZHQJSDEVAB-GMTAPVOTSA-N 2 1 268.323 2.074 20 0 CEADMP C[C@@H](NC[C@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423075102 376966268 /nfs/dbraw/zinc/96/62/68/376966268.db2.gz NOXWRDHZQYNSHO-BMFZPTHFSA-N 2 1 265.445 2.124 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423085588 376979523 /nfs/dbraw/zinc/97/95/23/376979523.db2.gz KWBBPFCUKLVWAQ-ZOBUZTSGSA-N 2 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423085588 376979533 /nfs/dbraw/zinc/97/95/33/376979533.db2.gz KWBBPFCUKLVWAQ-ZOBUZTSGSA-N 3 1 275.440 2.224 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423085588 376979537 /nfs/dbraw/zinc/97/95/37/376979537.db2.gz KWBBPFCUKLVWAQ-ZOBUZTSGSA-N 3 1 275.440 2.224 20 0 CEADMP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423121730 377016887 /nfs/dbraw/zinc/01/68/87/377016887.db2.gz BHCJZAKLHPCNCY-RCBQFDQVSA-N 2 1 289.423 2.273 20 0 CEADMP Oc1cccnc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000562901368 377019272 /nfs/dbraw/zinc/01/92/72/377019272.db2.gz LCWGCFOLOHKQCP-CJNGLKHVSA-N 2 1 287.407 2.236 20 0 CEADMP Oc1cccnc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000562901368 377019281 /nfs/dbraw/zinc/01/92/81/377019281.db2.gz LCWGCFOLOHKQCP-CJNGLKHVSA-N 2 1 287.407 2.236 20 0 CEADMP Oc1cccnc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000562901368 377019288 /nfs/dbraw/zinc/01/92/88/377019288.db2.gz LCWGCFOLOHKQCP-CJNGLKHVSA-N 2 1 287.407 2.236 20 0 CEADMP COc1cccc(C2(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)CC2)c1 ZINC000423122424 377020783 /nfs/dbraw/zinc/02/07/83/377020783.db2.gz KRSFIILQWBPXOH-XJKSGUPXSA-N 2 1 274.408 2.457 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1c[nH+]ccc1N ZINC000562959023 377034542 /nfs/dbraw/zinc/03/45/42/377034542.db2.gz OQKQHELJUNNNDQ-LLVKDONJSA-N 2 1 285.347 2.116 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000423141691 377038842 /nfs/dbraw/zinc/03/88/42/377038842.db2.gz RIQAZPZCTSBIQY-KKUMJFAQSA-N 2 1 255.450 2.214 20 0 CEADMP Cc1cccc(CCC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)n1 ZINC000423111138 377005865 /nfs/dbraw/zinc/00/58/65/377005865.db2.gz VXVRQOSIYQESBL-GDBMZVCRSA-N 2 1 261.413 2.443 20 0 CEADMP CC[C@H]([NH2+]C[C@@](C)(CO)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423113648 377007595 /nfs/dbraw/zinc/00/75/95/377007595.db2.gz USDIXZUBIOHMRL-KSZLIROESA-N 2 1 290.451 2.447 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1c[nH+]ccc1N ZINC000423168266 377074073 /nfs/dbraw/zinc/07/40/73/377074073.db2.gz UDQDPJTTXROAFT-LBPRGKRZSA-N 2 1 277.412 2.476 20 0 CEADMP CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C12CCC2 ZINC000423173058 377081562 /nfs/dbraw/zinc/08/15/62/377081562.db2.gz WUAZWEMRSQAWQC-RFQIPJPRSA-N 2 1 252.402 2.064 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1(CC)CC ZINC000423179408 377092861 /nfs/dbraw/zinc/09/28/61/377092861.db2.gz DBYVGXKXIAPQKC-HZSPNIEDSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@H]([NH2+]CCC[NH3+])c1ccc(F)cc1OC(F)F ZINC000423193940 377107576 /nfs/dbraw/zinc/10/75/76/377107576.db2.gz RCYRIBOUUOCZEZ-QMMMGPOBSA-N 2 1 262.275 2.427 20 0 CEADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423212867 377129548 /nfs/dbraw/zinc/12/95/48/377129548.db2.gz KKMCGSFMRVAZNX-WXYCVUISSA-N 2 1 260.381 2.139 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423215370 377130757 /nfs/dbraw/zinc/13/07/57/377130757.db2.gz QNCLPJFUKRPLMG-DGCLKSJQSA-N 2 1 251.349 2.261 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000423226161 377142556 /nfs/dbraw/zinc/14/25/56/377142556.db2.gz PQELOGDBLLPVRQ-AAEUAGOBSA-N 2 1 250.390 2.358 20 0 CEADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C1(C)C ZINC000423230219 377148663 /nfs/dbraw/zinc/14/86/63/377148663.db2.gz CZSHAVHFLJPQOK-HZSPNIEDSA-N 2 1 254.418 2.312 20 0 CEADMP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000423235005 377155336 /nfs/dbraw/zinc/15/53/36/377155336.db2.gz GCPKXUKVCHUBNK-XKQJLSEDSA-N 2 1 275.440 2.350 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000563348765 377177491 /nfs/dbraw/zinc/17/74/91/377177491.db2.gz AWZKLTVVKJQQBK-SOUVJXGZSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000563348765 377177495 /nfs/dbraw/zinc/17/74/95/377177495.db2.gz AWZKLTVVKJQQBK-SOUVJXGZSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000563348765 377177501 /nfs/dbraw/zinc/17/75/01/377177501.db2.gz AWZKLTVVKJQQBK-SOUVJXGZSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@@H]1[C@@H](C)CCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000563348765 377177505 /nfs/dbraw/zinc/17/75/05/377177505.db2.gz AWZKLTVVKJQQBK-SOUVJXGZSA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000563348762 377177975 /nfs/dbraw/zinc/17/79/75/377177975.db2.gz AWZKLTVVKJQQBK-QLFBSQMISA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000563348762 377177983 /nfs/dbraw/zinc/17/79/83/377177983.db2.gz AWZKLTVVKJQQBK-QLFBSQMISA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000563348762 377177988 /nfs/dbraw/zinc/17/79/88/377177988.db2.gz AWZKLTVVKJQQBK-QLFBSQMISA-N 2 1 256.434 2.200 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000563348762 377177992 /nfs/dbraw/zinc/17/79/92/377177992.db2.gz AWZKLTVVKJQQBK-QLFBSQMISA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](Cc1c[nH]c2ccccc12)C[C@@H](O)C[N@@H+](C)CC ZINC000563352228 377180045 /nfs/dbraw/zinc/18/00/45/377180045.db2.gz HBZCZOOYWSPWEB-HNNXBMFYSA-N 2 1 289.423 2.302 20 0 CEADMP CC[NH+](Cc1c[nH]c2ccccc12)C[C@@H](O)C[N@H+](C)CC ZINC000563352228 377180057 /nfs/dbraw/zinc/18/00/57/377180057.db2.gz HBZCZOOYWSPWEB-HNNXBMFYSA-N 2 1 289.423 2.302 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)Cc1c[nH]c2ccccc12 ZINC000563352228 377180068 /nfs/dbraw/zinc/18/00/68/377180068.db2.gz HBZCZOOYWSPWEB-HNNXBMFYSA-N 2 1 289.423 2.302 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)Cc1c[nH]c2ccccc12 ZINC000563352228 377180077 /nfs/dbraw/zinc/18/00/77/377180077.db2.gz HBZCZOOYWSPWEB-HNNXBMFYSA-N 2 1 289.423 2.302 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1c(C)cccc1C ZINC000563352249 377181793 /nfs/dbraw/zinc/18/17/93/377181793.db2.gz HHRVSZZXOUIACD-LSDHHAIUSA-N 2 1 264.413 2.267 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1c(C)cccc1C ZINC000563352249 377181799 /nfs/dbraw/zinc/18/17/99/377181799.db2.gz HHRVSZZXOUIACD-LSDHHAIUSA-N 2 1 264.413 2.267 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000423262911 377182656 /nfs/dbraw/zinc/18/26/56/377182656.db2.gz NRVRRCFIWRMCEW-CMPLNLGQSA-N 2 1 250.342 2.049 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000423265599 377184131 /nfs/dbraw/zinc/18/41/31/377184131.db2.gz CISCJARLYOIXCQ-WDEREUQCSA-N 2 1 284.375 2.349 20 0 CEADMP CC(C)[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCCO1 ZINC000563363648 377186501 /nfs/dbraw/zinc/18/65/01/377186501.db2.gz JGRXPTHHVMWRME-HNNXBMFYSA-N 2 1 265.401 2.100 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCCO1 ZINC000563363648 377186513 /nfs/dbraw/zinc/18/65/13/377186513.db2.gz JGRXPTHHVMWRME-HNNXBMFYSA-N 2 1 265.401 2.100 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCC12CCOCC2 ZINC000423304774 377235474 /nfs/dbraw/zinc/23/54/74/377235474.db2.gz ZLACTVAJURRACA-KBPBESRZSA-N 2 1 254.418 2.443 20 0 CEADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]([NH3+])C1CC1)CCC2 ZINC000423313929 377243444 /nfs/dbraw/zinc/24/34/44/377243444.db2.gz GKYRZJMXLPQCOH-WDEREUQCSA-N 2 1 265.426 2.410 20 0 CEADMP CCC[NH2+]CC[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000423317835 377248227 /nfs/dbraw/zinc/24/82/27/377248227.db2.gz YURGTJHIDRUYBX-ZIAGYGMSSA-N 2 1 254.418 2.313 20 0 CEADMP C[C@@H](NCC1([NH3+])CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423318244 377248352 /nfs/dbraw/zinc/24/83/52/377248352.db2.gz DGASVBLHAWHBGX-WBVHZDCISA-N 2 1 287.451 2.368 20 0 CEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423279647 377205977 /nfs/dbraw/zinc/20/59/77/377205977.db2.gz RWDJDXNNZWHZKG-MEBBXXQBSA-N 2 1 287.407 2.304 20 0 CEADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN(C)C2CC2)cc1 ZINC000685570924 542159406 /nfs/dbraw/zinc/15/94/06/542159406.db2.gz RBVQEROGRSHKPE-CZUORRHYSA-N 2 1 292.423 2.191 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)NCCCC[NH+](C)C)c1ccccc1 ZINC000264911282 190143754 /nfs/dbraw/zinc/14/37/54/190143754.db2.gz NNOHRTLEFGZUNN-INIZCTEOSA-N 2 1 291.439 2.137 20 0 CEADMP CC(C)(C)N1CC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1=O ZINC000564451620 377393686 /nfs/dbraw/zinc/39/36/86/377393686.db2.gz UZETUTNAFMKMTE-CQSZACIVSA-N 2 1 295.471 2.238 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)c1ccccc1F)C1CC1 ZINC000564849962 377475599 /nfs/dbraw/zinc/47/55/99/377475599.db2.gz ZCFRAPCUZSKYJP-CQSZACIVSA-N 2 1 294.414 2.148 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)c1ccccc1F)C1CC1 ZINC000564849962 377475604 /nfs/dbraw/zinc/47/56/04/377475604.db2.gz ZCFRAPCUZSKYJP-CQSZACIVSA-N 2 1 294.414 2.148 20 0 CEADMP Cc1cccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c1 ZINC000265182001 190164066 /nfs/dbraw/zinc/16/40/66/190164066.db2.gz FDSPFIZSJWISOZ-UHFFFAOYSA-N 2 1 276.424 2.274 20 0 CEADMP Cc1cccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000265182001 190164067 /nfs/dbraw/zinc/16/40/67/190164067.db2.gz FDSPFIZSJWISOZ-UHFFFAOYSA-N 2 1 276.424 2.274 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430949876 377570478 /nfs/dbraw/zinc/57/04/78/377570478.db2.gz PDOGSJSWPYUQMA-SMDDNHRTSA-N 2 1 293.386 2.132 20 0 CEADMP CC1CCC(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000332334514 377571217 /nfs/dbraw/zinc/57/12/17/377571217.db2.gz PVECIKBQGBOIEE-ZBCRRDGASA-N 2 1 291.443 2.200 20 0 CEADMP CCc1cccc(OCC[N@H+]2CC[C@@H](C[NH2+]C)C2)c1 ZINC000430952899 377574151 /nfs/dbraw/zinc/57/41/51/377574151.db2.gz RFLUWVDZPJNJTQ-HNNXBMFYSA-N 2 1 262.397 2.169 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000565158792 377574983 /nfs/dbraw/zinc/57/49/83/377574983.db2.gz ZDMIVTJCQIWWOF-XJKSGUPXSA-N 2 1 282.391 2.455 20 0 CEADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000565158792 377574991 /nfs/dbraw/zinc/57/49/91/377574991.db2.gz ZDMIVTJCQIWWOF-XJKSGUPXSA-N 2 1 282.391 2.455 20 0 CEADMP CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)C(C)C ZINC000430966950 377579317 /nfs/dbraw/zinc/57/93/17/377579317.db2.gz QIEQZAWEIRMVRW-KKUMJFAQSA-N 2 1 283.460 2.080 20 0 CEADMP CC(C)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CCC1 ZINC000431069251 377594257 /nfs/dbraw/zinc/59/42/57/377594257.db2.gz VCIMVLKEIUFNNF-UHFFFAOYSA-N 2 1 252.362 2.026 20 0 CEADMP CC(C)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CCC1 ZINC000431069251 377594263 /nfs/dbraw/zinc/59/42/63/377594263.db2.gz VCIMVLKEIUFNNF-UHFFFAOYSA-N 2 1 252.362 2.026 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)/C=C/C[NH+](C)C)c2C1 ZINC000265659859 190197653 /nfs/dbraw/zinc/19/76/53/190197653.db2.gz QRFQXBRMPADSPT-RMKNXTFCSA-N 2 1 287.407 2.469 20 0 CEADMP CCc1[nH+]ccn1[C@H]1CCCN(Cc2ccn(C)n2)C1 ZINC000271179321 249350621 /nfs/dbraw/zinc/35/06/21/249350621.db2.gz LRIFQABYUCPAIH-AWEZNQCLSA-N 2 1 273.384 2.016 20 0 CEADMP CC[C@@H]1C[NH+](C)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000565265003 377627706 /nfs/dbraw/zinc/62/77/06/377627706.db2.gz BRKLZROXLAMHBT-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[NH+](C)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000565265003 377627717 /nfs/dbraw/zinc/62/77/17/377627717.db2.gz BRKLZROXLAMHBT-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCCC[NH+]1CCCCC1 ZINC000431640015 377660092 /nfs/dbraw/zinc/66/00/92/377660092.db2.gz ZTJKTTQOCHLEEY-MRXNPFEDSA-N 2 1 295.471 2.243 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1(C)CC1 ZINC000432413843 377759310 /nfs/dbraw/zinc/75/93/10/377759310.db2.gz IITDWODNRODBRW-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1(C)CC1 ZINC000432413843 377759313 /nfs/dbraw/zinc/75/93/13/377759313.db2.gz IITDWODNRODBRW-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000432417575 377759700 /nfs/dbraw/zinc/75/97/00/377759700.db2.gz WHDSWDRJXIVJQK-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CC1 ZINC000432417575 377759705 /nfs/dbraw/zinc/75/97/05/377759705.db2.gz WHDSWDRJXIVJQK-UKRRQHHQSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CC1(C)C ZINC000441389540 377942872 /nfs/dbraw/zinc/94/28/72/377942872.db2.gz VUAAJRPRWLEZFY-KBPBESRZSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]([NH3+])CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000442663311 377978758 /nfs/dbraw/zinc/97/87/58/377978758.db2.gz JNMOSEVDVVVPCZ-AEFFLSMTSA-N 2 1 287.451 2.322 20 0 CEADMP CN(CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000442763554 377994650 /nfs/dbraw/zinc/99/46/50/377994650.db2.gz DJLNRTZUDLMBBF-FKEKPDDDSA-N 2 1 273.424 2.338 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)C1CCCC1 ZINC000443054847 378030264 /nfs/dbraw/zinc/03/02/64/378030264.db2.gz ALIHXXZXPPJDEZ-OAHLLOKOSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057802 378031754 /nfs/dbraw/zinc/03/17/54/378031754.db2.gz HZFJTBKWYGYRGP-UGUYLWEFSA-N 2 1 295.471 2.131 20 0 CEADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443060975 378032077 /nfs/dbraw/zinc/03/20/77/378032077.db2.gz QKDJZYVTTOBWJD-GJZGRUSLSA-N 2 1 289.423 2.383 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057830 378032237 /nfs/dbraw/zinc/03/22/37/378032237.db2.gz IGKIFLVCSDKYPK-LBPRGKRZSA-N 2 1 251.374 2.106 20 0 CEADMP C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000443314663 378044789 /nfs/dbraw/zinc/04/47/89/378044789.db2.gz ZOJZIOQUMSGJRB-OWCLPIDISA-N 2 1 268.445 2.344 20 0 CEADMP Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cs1 ZINC000295245145 378067545 /nfs/dbraw/zinc/06/75/45/378067545.db2.gz SZPQOSDDUMRCOP-HNNXBMFYSA-N 2 1 282.453 2.383 20 0 CEADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CCCO ZINC000442970491 378023145 /nfs/dbraw/zinc/02/31/45/378023145.db2.gz VUNQEURZRMYSIX-UHFFFAOYSA-N 2 1 278.440 2.459 20 0 CEADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CCCO ZINC000442970491 378023150 /nfs/dbraw/zinc/02/31/50/378023150.db2.gz VUNQEURZRMYSIX-UHFFFAOYSA-N 2 1 278.440 2.459 20 0 CEADMP C[NH+](CCCO)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000442970491 378023155 /nfs/dbraw/zinc/02/31/55/378023155.db2.gz VUNQEURZRMYSIX-UHFFFAOYSA-N 2 1 278.440 2.459 20 0 CEADMP C[NH+](CCCO)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000442970491 378023159 /nfs/dbraw/zinc/02/31/59/378023159.db2.gz VUNQEURZRMYSIX-UHFFFAOYSA-N 2 1 278.440 2.459 20 0 CEADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c2ccccc21 ZINC000447532606 378114231 /nfs/dbraw/zinc/11/42/31/378114231.db2.gz WOKITXYEJABEOP-XOKHGSTOSA-N 2 1 276.424 2.383 20 0 CEADMP C[C@H]1C[C@H](NCC[NH+]2CCCC(C)(C)C2)CC[N@H+]1C ZINC000447566774 378117078 /nfs/dbraw/zinc/11/70/78/378117078.db2.gz WHWMTJDHIBHQHF-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@H](NCC[N@@H+]2CCCC(C)(C)C2)CC[NH+]1C ZINC000447566774 378117084 /nfs/dbraw/zinc/11/70/84/378117084.db2.gz WHWMTJDHIBHQHF-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@H](NCC[N@H+]2CCCC(C)(C)C2)CC[NH+]1C ZINC000447566774 378117090 /nfs/dbraw/zinc/11/70/90/378117090.db2.gz WHWMTJDHIBHQHF-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@H]([NH3+])CNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000295286596 378086901 /nfs/dbraw/zinc/08/69/01/378086901.db2.gz UAOAZASZZUAFKL-INIZCTEOSA-N 2 1 291.439 2.384 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CC(C)(C)C(C)(C)O ZINC000449727575 378223562 /nfs/dbraw/zinc/22/35/62/378223562.db2.gz QPGLAVPQYHTGRI-UHFFFAOYSA-N 2 1 265.401 2.034 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000295822741 378318371 /nfs/dbraw/zinc/31/83/71/378318371.db2.gz BYRCGVITTICSKM-LLLHUVSDSA-N 2 1 274.408 2.010 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000295822741 378318375 /nfs/dbraw/zinc/31/83/75/378318375.db2.gz BYRCGVITTICSKM-LLLHUVSDSA-N 2 1 274.408 2.010 20 0 CEADMP C[C@H]1CN(Cc2cccc3nccn32)CC[N@H+](C2CC2)C1 ZINC000295919989 378355145 /nfs/dbraw/zinc/35/51/45/378355145.db2.gz DYLQKRBHCJQHKU-AWEZNQCLSA-N 2 1 284.407 2.250 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cs1 ZINC000296218158 378456550 /nfs/dbraw/zinc/45/65/50/378456550.db2.gz ZTASTMPZLNOFSW-GXTWGEPZSA-N 2 1 268.426 2.164 20 0 CEADMP COc1nccnc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000296272131 378471688 /nfs/dbraw/zinc/47/16/88/378471688.db2.gz DTNJHEWRJSDENR-CQSZACIVSA-N 2 1 292.427 2.087 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cn1 ZINC000296511396 378557294 /nfs/dbraw/zinc/55/72/94/378557294.db2.gz RMBZGUIUANSZKJ-SLEUVZQESA-N 2 1 286.379 2.231 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000453002224 378769326 /nfs/dbraw/zinc/76/93/26/378769326.db2.gz FBGYZXBNDKEVKK-BFYDXBDKSA-N 2 1 276.424 2.035 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000453002224 378769332 /nfs/dbraw/zinc/76/93/32/378769332.db2.gz FBGYZXBNDKEVKK-BFYDXBDKSA-N 2 1 276.424 2.035 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000453002224 378769335 /nfs/dbraw/zinc/76/93/35/378769335.db2.gz FBGYZXBNDKEVKK-BFYDXBDKSA-N 2 1 276.424 2.035 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H](C)Cc1cnccn1)[NH+]1CCCC1 ZINC000453068364 378793184 /nfs/dbraw/zinc/79/31/84/378793184.db2.gz ATPBBPBDTLYLCE-ZBFHGGJFSA-N 2 1 276.428 2.118 20 0 CEADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCC1 ZINC000453090282 378798582 /nfs/dbraw/zinc/79/85/82/378798582.db2.gz CBMISXFGYKZHOJ-HZPDHXFCSA-N 2 1 295.471 2.132 20 0 CEADMP CCCO[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346840556 218032146 /nfs/dbraw/zinc/03/21/46/218032146.db2.gz GIECPDOAIMYGSL-HUUCEWRRSA-N 2 1 254.418 2.267 20 0 CEADMP COC1([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000453100448 378802413 /nfs/dbraw/zinc/80/24/13/378802413.db2.gz WZGPAXBQAVNEBP-HOTGVXAUSA-N 2 1 298.471 2.425 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@H]12 ZINC000346821534 218024381 /nfs/dbraw/zinc/02/43/81/218024381.db2.gz AWCSDFXILLBMSD-CWRNSKLLSA-N 2 1 282.391 2.246 20 0 CEADMP COc1cccc(NC2CC[NH+](CC(C)(C)[NH3+])CC2)c1 ZINC000346838791 218030180 /nfs/dbraw/zinc/03/01/80/218030180.db2.gz RLJQKYQAWDOSSU-UHFFFAOYSA-N 2 1 277.412 2.309 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)c2sccc21 ZINC000453201007 378827617 /nfs/dbraw/zinc/82/76/17/378827617.db2.gz RVXITGOYBNNFHD-ZLDLUXBVSA-N 2 1 280.437 2.343 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c2sccc21 ZINC000453201007 378827624 /nfs/dbraw/zinc/82/76/24/378827624.db2.gz RVXITGOYBNNFHD-ZLDLUXBVSA-N 2 1 280.437 2.343 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346848860 218036084 /nfs/dbraw/zinc/03/60/84/218036084.db2.gz OKARJAQSWLXARN-ZNMIVQPWSA-N 2 1 290.407 2.263 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)o1 ZINC000453379905 378880419 /nfs/dbraw/zinc/88/04/19/378880419.db2.gz KRLRNUNZWUNNSB-MJBXVCDLSA-N 2 1 263.385 2.199 20 0 CEADMP CCc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)o1 ZINC000453379905 378880421 /nfs/dbraw/zinc/88/04/21/378880421.db2.gz KRLRNUNZWUNNSB-MJBXVCDLSA-N 2 1 263.385 2.199 20 0 CEADMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)nc1 ZINC000453433608 378903707 /nfs/dbraw/zinc/90/37/07/378903707.db2.gz SRQSZGMPKHMSSR-BBWFWOEESA-N 2 1 273.424 2.395 20 0 CEADMP COc1ccc([C@H](C)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000346995463 218084758 /nfs/dbraw/zinc/08/47/58/218084758.db2.gz BZGYIBNDHBSLNN-XJKCOSOUSA-N 2 1 262.397 2.468 20 0 CEADMP c1ccc(OC[C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000347001824 218086028 /nfs/dbraw/zinc/08/60/28/218086028.db2.gz IGPNGOWKEWXNBO-HOTGVXAUSA-N 2 1 274.408 2.387 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000347041538 218102308 /nfs/dbraw/zinc/10/23/08/218102308.db2.gz LARTUMQQJNLCDY-SNVBAGLBSA-N 2 1 251.399 2.191 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000347041538 218102310 /nfs/dbraw/zinc/10/23/10/218102310.db2.gz LARTUMQQJNLCDY-SNVBAGLBSA-N 2 1 251.399 2.191 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000347047917 218104488 /nfs/dbraw/zinc/10/44/88/218104488.db2.gz PBEFGRMOVODBEB-GDBMZVCRSA-N 2 1 284.407 2.432 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000347046649 218104727 /nfs/dbraw/zinc/10/47/27/218104727.db2.gz OWQKBMRZDIAZHW-KBPBESRZSA-N 2 1 290.407 2.407 20 0 CEADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000347046649 218104730 /nfs/dbraw/zinc/10/47/30/218104730.db2.gz OWQKBMRZDIAZHW-KBPBESRZSA-N 2 1 290.407 2.407 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC000347053918 218105178 /nfs/dbraw/zinc/10/51/78/218105178.db2.gz LIGWTTPUELJTDC-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC000347053918 218105179 /nfs/dbraw/zinc/10/51/79/218105179.db2.gz LIGWTTPUELJTDC-CQSZACIVSA-N 2 1 254.418 2.219 20 0 CEADMP COCCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000347053435 218106416 /nfs/dbraw/zinc/10/64/16/218106416.db2.gz SEXRNYBNSPDHDZ-GDBMZVCRSA-N 2 1 292.423 2.271 20 0 CEADMP CCC[N@@H+](Cc1nc(C)ccc1O)C1CC[NH2+]CC1 ZINC000347020000 218095548 /nfs/dbraw/zinc/09/55/48/218095548.db2.gz MPHBHVVTQWMFAC-UHFFFAOYSA-N 2 1 263.385 2.060 20 0 CEADMP CC[C@H]1C[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000347089673 218117204 /nfs/dbraw/zinc/11/72/04/218117204.db2.gz FKHNXVFDDXLHFU-DRFQVBMSSA-N 2 1 266.429 2.406 20 0 CEADMP O[C@@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000278592737 194059033 /nfs/dbraw/zinc/05/90/33/194059033.db2.gz ZAPBOEVAQQLIPS-JYJNAYRXSA-N 2 1 278.371 2.076 20 0 CEADMP O[C@@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000278592745 194059200 /nfs/dbraw/zinc/05/92/00/194059200.db2.gz ZAPBOEVAQQLIPS-PMPSAXMXSA-N 2 1 278.371 2.076 20 0 CEADMP [NH3+]C[C@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000347113217 218126872 /nfs/dbraw/zinc/12/68/72/218126872.db2.gz QXBWZTIDGMOKEA-SNVBAGLBSA-N 2 1 276.409 2.054 20 0 CEADMP [NH3+]C[C@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000347113217 218126874 /nfs/dbraw/zinc/12/68/74/218126874.db2.gz QXBWZTIDGMOKEA-SNVBAGLBSA-N 2 1 276.409 2.054 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347064792 218110165 /nfs/dbraw/zinc/11/01/65/218110165.db2.gz DDVGLTWGZJOJHW-KRWDZBQOSA-N 2 1 297.402 2.441 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)nc2C)C1 ZINC000347127392 218130894 /nfs/dbraw/zinc/13/08/94/218130894.db2.gz ZDPXJLGYZJTXSR-AWEZNQCLSA-N 2 1 277.412 2.138 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)cc(OC)nc2C)C1 ZINC000347127392 218130895 /nfs/dbraw/zinc/13/08/95/218130895.db2.gz ZDPXJLGYZJTXSR-AWEZNQCLSA-N 2 1 277.412 2.138 20 0 CEADMP CCOC1CC([NH+](C)CCC[N@H+](C)C2CC(OCC)C2)C1 ZINC000347460430 218242887 /nfs/dbraw/zinc/24/28/87/218242887.db2.gz WZYWGQJUFGKMKM-UHFFFAOYSA-N 2 1 298.471 2.375 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000514612777 379133227 /nfs/dbraw/zinc/13/32/27/379133227.db2.gz YAJXNBBYJFFFSE-CABCVRRESA-N 2 1 277.412 2.101 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000514612777 379133229 /nfs/dbraw/zinc/13/32/29/379133229.db2.gz YAJXNBBYJFFFSE-CABCVRRESA-N 2 1 277.412 2.101 20 0 CEADMP CC[C@H]1CCC[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000514908572 379160789 /nfs/dbraw/zinc/16/07/89/379160789.db2.gz VWXCISKKOUBAHW-LSDHHAIUSA-N 2 1 267.461 2.181 20 0 CEADMP CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCOCC1 ZINC000300413398 379169216 /nfs/dbraw/zinc/16/92/16/379169216.db2.gz BOXOFHNINDMJGC-KBPBESRZSA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000300414069 379169508 /nfs/dbraw/zinc/16/95/08/379169508.db2.gz IYLIWKTWDJNYNZ-MCIONIFRSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000300458316 379172841 /nfs/dbraw/zinc/17/28/41/379172841.db2.gz XFCJUJQUSPZOGQ-QBPKDAKJSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000300458316 379172849 /nfs/dbraw/zinc/17/28/49/379172849.db2.gz XFCJUJQUSPZOGQ-QBPKDAKJSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000300458316 379172855 /nfs/dbraw/zinc/17/28/55/379172855.db2.gz XFCJUJQUSPZOGQ-QBPKDAKJSA-N 2 1 280.456 2.486 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000515257443 379197281 /nfs/dbraw/zinc/19/72/81/379197281.db2.gz QAYVMZCWQHJGGA-IIAWOOMASA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000515257443 379197291 /nfs/dbraw/zinc/19/72/91/379197291.db2.gz QAYVMZCWQHJGGA-IIAWOOMASA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000515257443 379197296 /nfs/dbraw/zinc/19/72/96/379197296.db2.gz QAYVMZCWQHJGGA-IIAWOOMASA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1C(C)C ZINC000515433495 379218987 /nfs/dbraw/zinc/21/89/87/379218987.db2.gz YJNYTRKPKGXXKH-OWCLPIDISA-N 2 1 270.461 2.300 20 0 CEADMP CC(C)[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1C(C)C ZINC000515433495 379218992 /nfs/dbraw/zinc/21/89/92/379218992.db2.gz YJNYTRKPKGXXKH-OWCLPIDISA-N 2 1 270.461 2.300 20 0 CEADMP CC(C)[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H]1C(C)C ZINC000515433495 379219000 /nfs/dbraw/zinc/21/90/00/379219000.db2.gz YJNYTRKPKGXXKH-OWCLPIDISA-N 2 1 270.461 2.300 20 0 CEADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(Cl)c1 ZINC000347533534 218265308 /nfs/dbraw/zinc/26/53/08/218265308.db2.gz XAEYDKNVXWPCFZ-WFASDCNBSA-N 2 1 282.815 2.100 20 0 CEADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(Cl)c1 ZINC000347533534 218265309 /nfs/dbraw/zinc/26/53/09/218265309.db2.gz XAEYDKNVXWPCFZ-WFASDCNBSA-N 2 1 282.815 2.100 20 0 CEADMP COCC[NH2+]C1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000517034941 379338074 /nfs/dbraw/zinc/33/80/74/379338074.db2.gz CRUXHOIYZJMERI-AWEZNQCLSA-N 2 1 292.423 2.457 20 0 CEADMP Cc1cc[nH+]c(N2CCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC000302480218 379380405 /nfs/dbraw/zinc/38/04/05/379380405.db2.gz REBWOGYXYKTPGB-UHFFFAOYSA-N 2 1 268.364 2.420 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(C)n1 ZINC000278931847 194216898 /nfs/dbraw/zinc/21/68/98/194216898.db2.gz JFNKULQVEXHXCK-BXUZGUMPSA-N 2 1 285.395 2.203 20 0 CEADMP Cc1cc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000302385070 379366089 /nfs/dbraw/zinc/36/60/89/379366089.db2.gz FAJZVSDVLFGCIQ-ROUUACIJSA-N 2 1 297.402 2.437 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000519541412 379432673 /nfs/dbraw/zinc/43/26/73/379432673.db2.gz DPLCOPNOERQBIH-UHFFFAOYSA-N 2 1 277.412 2.245 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC2(CCOCC2)C1 ZINC000519541412 379432682 /nfs/dbraw/zinc/43/26/82/379432682.db2.gz DPLCOPNOERQBIH-UHFFFAOYSA-N 2 1 277.412 2.245 20 0 CEADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000302577175 379400549 /nfs/dbraw/zinc/40/05/49/379400549.db2.gz RKFYRJCRDVCGIW-UHFFFAOYSA-N 2 1 299.422 2.063 20 0 CEADMP C[C@@H](CCCC[NH3+])[NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000519381502 379409579 /nfs/dbraw/zinc/40/95/79/379409579.db2.gz PLOPCVNANBVSCX-NSHDSACASA-N 2 1 291.374 2.218 20 0 CEADMP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000520610068 379494286 /nfs/dbraw/zinc/49/42/86/379494286.db2.gz PUNHFRKEHOWVQR-IKGGRYGDSA-N 2 1 275.440 2.457 20 0 CEADMP OCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303413031 379495928 /nfs/dbraw/zinc/49/59/28/379495928.db2.gz YSGXKSRJRCQWBR-INIZCTEOSA-N 2 1 268.445 2.347 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCO)CC1 ZINC000305080152 379625818 /nfs/dbraw/zinc/62/58/18/379625818.db2.gz QCMFDIPORSVCMZ-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457087902 379660512 /nfs/dbraw/zinc/66/05/12/379660512.db2.gz JVIIKUNYSAIUOW-KBPBESRZSA-N 2 1 283.460 2.094 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H](CCCO)c1ccccc1 ZINC000305182198 379675445 /nfs/dbraw/zinc/67/54/45/379675445.db2.gz WMTNCBKVEPGDKI-HYVNUMGLSA-N 2 1 276.424 2.430 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H](CCCO)c1ccccc1 ZINC000305182198 379675450 /nfs/dbraw/zinc/67/54/50/379675450.db2.gz WMTNCBKVEPGDKI-HYVNUMGLSA-N 2 1 276.424 2.430 20 0 CEADMP C[N@@H+](Cc1ccn(C(F)F)n1)CC1CC[NH+](C)CC1 ZINC000347726076 218334363 /nfs/dbraw/zinc/33/43/63/218334363.db2.gz ROSQCGRWOYMFLN-UHFFFAOYSA-N 2 1 272.343 2.052 20 0 CEADMP C[N@H+](Cc1ccn(C(F)F)n1)CC1CC[NH+](C)CC1 ZINC000347726076 218334364 /nfs/dbraw/zinc/33/43/64/218334364.db2.gz ROSQCGRWOYMFLN-UHFFFAOYSA-N 2 1 272.343 2.052 20 0 CEADMP OCC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000305365435 379712359 /nfs/dbraw/zinc/71/23/59/379712359.db2.gz VKXKLENXWLBAQM-SQNIBIBYSA-N 2 1 288.435 2.369 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cn1 ZINC000527991394 379869410 /nfs/dbraw/zinc/86/94/10/379869410.db2.gz VFUPNIKMCUAEHS-XHSDSOJGSA-N 2 1 289.423 2.095 20 0 CEADMP Cc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000527983631 379865730 /nfs/dbraw/zinc/86/57/30/379865730.db2.gz BBGMQWUMMALUSP-ARFHVFGLSA-N 2 1 259.397 2.352 20 0 CEADMP CC[NH+]1CCC(NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000528015908 379877775 /nfs/dbraw/zinc/87/77/75/379877775.db2.gz ZXXDRQFDEHEKMQ-MRXNPFEDSA-N 2 1 265.445 2.077 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CC4COC4)[C@H]3C2)cc1 ZINC000528028261 379881558 /nfs/dbraw/zinc/88/15/58/379881558.db2.gz VIXDUBYCYFYUQP-OKZBNKHCSA-N 2 1 286.419 2.133 20 0 CEADMP CCc1cc(CCC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)on1 ZINC000347807177 218364342 /nfs/dbraw/zinc/36/43/42/218364342.db2.gz RSSSSRTYLZLVLS-ZDUSSCGKSA-N 2 1 265.401 2.053 20 0 CEADMP CCc1cc(CCC[N@H+]2CC[C@@H](C[NH+](C)C)C2)on1 ZINC000347807177 218364344 /nfs/dbraw/zinc/36/43/44/218364344.db2.gz RSSSSRTYLZLVLS-ZDUSSCGKSA-N 2 1 265.401 2.053 20 0 CEADMP C[C@@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCCCCC1 ZINC000458159315 380025328 /nfs/dbraw/zinc/02/53/28/380025328.db2.gz DZGRCLIEZQDNJD-JKSUJKDBSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1ncsc1CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334463374 380449163 /nfs/dbraw/zinc/44/91/63/380449163.db2.gz ZAKBCQWKEHXXSB-HNNXBMFYSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1ncsc1CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334463374 380449168 /nfs/dbraw/zinc/44/91/68/380449168.db2.gz ZAKBCQWKEHXXSB-HNNXBMFYSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334463374 380449173 /nfs/dbraw/zinc/44/91/73/380449173.db2.gz ZAKBCQWKEHXXSB-HNNXBMFYSA-N 2 1 279.453 2.412 20 0 CEADMP CN(CC[N@@H+](C)C1CC1)C(=O)CC[NH+](C)C1CCCCC1 ZINC000548064196 380483105 /nfs/dbraw/zinc/48/31/05/380483105.db2.gz SXBYGQSPSQKHCW-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CN(CC[NH+](C)C1CC1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548064196 380483110 /nfs/dbraw/zinc/48/31/10/380483110.db2.gz SXBYGQSPSQKHCW-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CN(CC[NH+](C)C1CC1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548064196 380483111 /nfs/dbraw/zinc/48/31/11/380483111.db2.gz SXBYGQSPSQKHCW-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP CCn1nccc1CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000549041905 380587916 /nfs/dbraw/zinc/58/79/16/380587916.db2.gz YOYSQBQOAVXOAJ-UHFFFAOYSA-N 2 1 292.471 2.498 20 0 CEADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CC[N@@H+](C)C3)ccc21 ZINC000334746792 207009494 /nfs/dbraw/zinc/00/94/94/207009494.db2.gz CIKYSPBDHAKKFT-CJNGLKHVSA-N 2 1 287.407 2.126 20 0 CEADMP COc1cc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)ccn1 ZINC000554403454 380768198 /nfs/dbraw/zinc/76/81/98/380768198.db2.gz SLNNZHVHFVUXHI-OBJOEFQTSA-N 2 1 263.385 2.224 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC12CCOCC2 ZINC000554558052 380781585 /nfs/dbraw/zinc/78/15/85/380781585.db2.gz ZVCHIBWNQAAJGO-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000554560856 380783232 /nfs/dbraw/zinc/78/32/32/380783232.db2.gz DRQROPZFEXGDHL-CQSZACIVSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000497041811 381239128 /nfs/dbraw/zinc/23/91/28/381239128.db2.gz XHJMSOQGPZYNJM-CQSZACIVSA-N 2 1 299.459 2.175 20 0 CEADMP C[NH+](CCCNC(=O)OC(C)(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC000497041811 381239137 /nfs/dbraw/zinc/23/91/37/381239137.db2.gz XHJMSOQGPZYNJM-CQSZACIVSA-N 2 1 299.459 2.175 20 0 CEADMP C[NH+](CCCNC(=O)OC(C)(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000497041811 381239146 /nfs/dbraw/zinc/23/91/46/381239146.db2.gz XHJMSOQGPZYNJM-CQSZACIVSA-N 2 1 299.459 2.175 20 0 CEADMP Cc1cccn2c(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cnc12 ZINC000334822144 207137476 /nfs/dbraw/zinc/13/74/76/207137476.db2.gz URJWQPUTNVZBCK-OCCSQVGLSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1cccn2c(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cnc12 ZINC000334822144 207137479 /nfs/dbraw/zinc/13/74/79/207137479.db2.gz URJWQPUTNVZBCK-OCCSQVGLSA-N 2 1 272.396 2.059 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000334842734 207171033 /nfs/dbraw/zinc/17/10/33/207171033.db2.gz NSQFPTBEOQQEGL-OAHLLOKOSA-N 2 1 285.391 2.418 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000334869552 207218513 /nfs/dbraw/zinc/21/85/13/207218513.db2.gz YAZOELYVWLMDHG-OAHLLOKOSA-N 2 1 277.387 2.088 20 0 CEADMP C[N@@H+]1CC[C@@]2(CC[NH+](C/C=C/c3ccncc3)C2)C1 ZINC000334916235 207286902 /nfs/dbraw/zinc/28/69/02/207286902.db2.gz REGRITWTHWJWEA-WOMSROEHSA-N 2 1 257.381 2.122 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](C/C=C/c3ccncc3)C2)C1 ZINC000334916235 207286903 /nfs/dbraw/zinc/28/69/03/207286903.db2.gz REGRITWTHWJWEA-WOMSROEHSA-N 2 1 257.381 2.122 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](C/C=C/c3ccncc3)C2)C1 ZINC000334916235 207286905 /nfs/dbraw/zinc/28/69/05/207286905.db2.gz REGRITWTHWJWEA-WOMSROEHSA-N 2 1 257.381 2.122 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C/C=C/c3ccncc3)C2)C1 ZINC000334916235 207286907 /nfs/dbraw/zinc/28/69/07/207286907.db2.gz REGRITWTHWJWEA-WOMSROEHSA-N 2 1 257.381 2.122 20 0 CEADMP CCC[N@H+](CCc1cccs1)C[C@H](O)C[NH+](C)C1CC1 ZINC000289479612 197367220 /nfs/dbraw/zinc/36/72/20/197367220.db2.gz IFFQIHMZXGHRMQ-OAHLLOKOSA-N 2 1 296.480 2.458 20 0 CEADMP CCC[N@@H+](CCc1cccs1)C[C@H](O)C[NH+](C)C1CC1 ZINC000289479612 197367222 /nfs/dbraw/zinc/36/72/22/197367222.db2.gz IFFQIHMZXGHRMQ-OAHLLOKOSA-N 2 1 296.480 2.458 20 0 CEADMP CCC[NH+](CCc1cccs1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289479612 197367224 /nfs/dbraw/zinc/36/72/24/197367224.db2.gz IFFQIHMZXGHRMQ-OAHLLOKOSA-N 2 1 296.480 2.458 20 0 CEADMP CCC[NH+](CCc1cccs1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289479612 197367225 /nfs/dbraw/zinc/36/72/25/197367225.db2.gz IFFQIHMZXGHRMQ-OAHLLOKOSA-N 2 1 296.480 2.458 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC000358368203 285013516 /nfs/dbraw/zinc/01/35/16/285013516.db2.gz OCWRZQLIEPLODT-KRWDZBQOSA-N 2 1 289.423 2.233 20 0 CEADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000289362851 197313209 /nfs/dbraw/zinc/31/32/09/197313209.db2.gz NFWVBMGYAGOYCJ-PBHICJAKSA-N 2 1 276.424 2.409 20 0 CEADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000289362851 197313211 /nfs/dbraw/zinc/31/32/11/197313211.db2.gz NFWVBMGYAGOYCJ-PBHICJAKSA-N 2 1 276.424 2.409 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000350260508 219003907 /nfs/dbraw/zinc/00/39/07/219003907.db2.gz WNBYYWWEACPTQM-KRWDZBQOSA-N 2 1 291.439 2.057 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnn3ccccc23)[C@H](C)C1 ZINC000353863954 220374956 /nfs/dbraw/zinc/37/49/56/220374956.db2.gz HERGENOSLKOBBF-HIFRSBDPSA-N 2 1 272.396 2.154 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnn3ccccc23)[C@H](C)C1 ZINC000353863954 220374959 /nfs/dbraw/zinc/37/49/59/220374959.db2.gz HERGENOSLKOBBF-HIFRSBDPSA-N 2 1 272.396 2.154 20 0 CEADMP COCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000414213355 285158214 /nfs/dbraw/zinc/15/82/14/285158214.db2.gz ULKQQKYXJWXVDG-GBJTYRQASA-N 2 1 254.418 2.121 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1CCC1 ZINC000361690916 285242673 /nfs/dbraw/zinc/24/26/73/285242673.db2.gz NBNTXWXTGRYYNK-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP O[C@@H](C[NH2+][C@@H]1CCc2cc(Cl)ccc21)C[NH+]1CCCC1 ZINC000299160411 285305676 /nfs/dbraw/zinc/30/56/76/285305676.db2.gz LBRZHSVGTQYOIN-GOEBONIOSA-N 2 1 294.826 2.374 20 0 CEADMP C[N@H+]1CCN(CC[NH2+]C/C=C/c2ccccc2)CC1(C)C ZINC000282222315 195542845 /nfs/dbraw/zinc/54/28/45/195542845.db2.gz FAMLHLBREHVKCO-JXMROGBWSA-N 2 1 287.451 2.315 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)CC[C@@H]1[NH3+] ZINC000299990181 394452864 /nfs/dbraw/zinc/45/28/64/394452864.db2.gz KRSFYHJHNWNWJX-MCIONIFRSA-N 2 1 252.402 2.147 20 0 CEADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000300219705 394454272 /nfs/dbraw/zinc/45/42/72/394454272.db2.gz CQAGBPFFNFKAND-MCIONIFRSA-N 2 1 299.459 2.362 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1(C)C ZINC000223836398 394465297 /nfs/dbraw/zinc/46/52/97/394465297.db2.gz USJLCNPNMHCHNC-RFQIPJPRSA-N 2 1 254.418 2.262 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1(C)C ZINC000223836398 394465300 /nfs/dbraw/zinc/46/53/00/394465300.db2.gz USJLCNPNMHCHNC-RFQIPJPRSA-N 2 1 254.418 2.262 20 0 CEADMP C[C@H]1COCC[C@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000302164332 394473541 /nfs/dbraw/zinc/47/35/41/394473541.db2.gz NKXQJTRCJFPCEX-UONOGXRCSA-N 2 1 254.418 2.266 20 0 CEADMP CC1CCC(O)(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000304325857 394483655 /nfs/dbraw/zinc/48/36/55/394483655.db2.gz SIHFSGQUEFLJAW-AQFXKWCLSA-N 2 1 280.456 2.345 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000236754509 394487536 /nfs/dbraw/zinc/48/75/36/394487536.db2.gz LCPVWJYGOVQOKQ-DOTOQJQBSA-N 2 1 295.471 2.289 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000421372527 394515090 /nfs/dbraw/zinc/51/50/90/394515090.db2.gz DGARSMSJNZXZFV-KGLIPLIRSA-N 2 1 263.385 2.195 20 0 CEADMP CCC[N@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000037653857 394497204 /nfs/dbraw/zinc/49/72/04/394497204.db2.gz KUZZEDDHXDWGSQ-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[N@@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000037653857 394497206 /nfs/dbraw/zinc/49/72/06/394497206.db2.gz KUZZEDDHXDWGSQ-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000252782194 394574139 /nfs/dbraw/zinc/57/41/39/394574139.db2.gz NGOPHNSWOZEWNR-WQVCFCJDSA-N 2 1 259.397 2.205 20 0 CEADMP C[N@H+](CCCCNc1[nH+]cnc2[nH]ccc21)C1CC1 ZINC000413347493 394532409 /nfs/dbraw/zinc/53/24/09/394532409.db2.gz LDSRCOPRQHVAPF-UHFFFAOYSA-N 2 1 259.357 2.196 20 0 CEADMP C[N@@H+](CCCCNc1[nH+]cnc2[nH]ccc21)C1CC1 ZINC000413347493 394532412 /nfs/dbraw/zinc/53/24/12/394532412.db2.gz LDSRCOPRQHVAPF-UHFFFAOYSA-N 2 1 259.357 2.196 20 0 CEADMP CC(C)c1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000313382882 394542994 /nfs/dbraw/zinc/54/29/94/394542994.db2.gz IYFSWRALFYOHHJ-MRXNPFEDSA-N 2 1 262.397 2.360 20 0 CEADMP CC(C)c1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000313382882 394542996 /nfs/dbraw/zinc/54/29/96/394542996.db2.gz IYFSWRALFYOHHJ-MRXNPFEDSA-N 2 1 262.397 2.360 20 0 CEADMP CCC1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000090715024 394656133 /nfs/dbraw/zinc/65/61/33/394656133.db2.gz TWDYQAXQDWPMGU-QDIHITRGSA-N 2 1 266.429 2.408 20 0 CEADMP CCC1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000090715024 394656135 /nfs/dbraw/zinc/65/61/35/394656135.db2.gz TWDYQAXQDWPMGU-QDIHITRGSA-N 2 1 266.429 2.408 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000356938439 394656604 /nfs/dbraw/zinc/65/66/04/394656604.db2.gz SUTZVIXDIWGOQP-GFCCVEGCSA-N 2 1 292.427 2.282 20 0 CEADMP COc1ccccc1CC[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000258873243 394599175 /nfs/dbraw/zinc/59/91/75/394599175.db2.gz AWNNYEZEAVTSND-AWEZNQCLSA-N 2 1 262.397 2.169 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000356784891 394613992 /nfs/dbraw/zinc/61/39/92/394613992.db2.gz VHXISGGYCJHFAN-GJZGRUSLSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000356784891 394613997 /nfs/dbraw/zinc/61/39/97/394613997.db2.gz VHXISGGYCJHFAN-GJZGRUSLSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[NH+](C)C[C@H](C)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000356784891 394614002 /nfs/dbraw/zinc/61/40/02/394614002.db2.gz VHXISGGYCJHFAN-GJZGRUSLSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)(C)[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)CC1 ZINC000079342840 394631050 /nfs/dbraw/zinc/63/10/50/394631050.db2.gz QCPQDDQCSZWROE-OAHLLOKOSA-N 2 1 267.461 2.040 20 0 CEADMP CCCC[N@@H+](C)CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422708820 394731783 /nfs/dbraw/zinc/73/17/83/394731783.db2.gz JKZVYZHCAZLMJP-JKSUJKDBSA-N 2 1 261.413 2.453 20 0 CEADMP C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)C[NH+]1CCCCC1 ZINC000422712480 394733992 /nfs/dbraw/zinc/73/39/92/394733992.db2.gz OHAAUAMVBSLJMR-OAGGEKHMSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422712800 394734029 /nfs/dbraw/zinc/73/40/29/394734029.db2.gz OLBMKTPUYOWRKC-KBXIAJHMSA-N 2 1 254.418 2.312 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422713863 394735094 /nfs/dbraw/zinc/73/50/94/394735094.db2.gz KJMYCOWWYXAHOB-KZNAEPCWSA-N 2 1 287.451 2.020 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714560 394735227 /nfs/dbraw/zinc/73/52/27/394735227.db2.gz LAUUIIUMJZUBKL-BQFCYCMXSA-N 2 1 289.467 2.266 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714560 394735232 /nfs/dbraw/zinc/73/52/32/394735232.db2.gz LAUUIIUMJZUBKL-BQFCYCMXSA-N 3 1 289.467 2.266 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714560 394735237 /nfs/dbraw/zinc/73/52/37/394735237.db2.gz LAUUIIUMJZUBKL-BQFCYCMXSA-N 3 1 289.467 2.266 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422716983 394737255 /nfs/dbraw/zinc/73/72/55/394737255.db2.gz VCJUBLKODLZCEB-CABCVRRESA-N 2 1 299.528 2.454 20 0 CEADMP CCOc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])ccc1OC ZINC000422725545 394741993 /nfs/dbraw/zinc/74/19/93/394741993.db2.gz BUBDEMFVDCRQOD-OLZOCXBDSA-N 2 1 264.369 2.063 20 0 CEADMP CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])ccc1OC ZINC000422725544 394742342 /nfs/dbraw/zinc/74/23/42/394742342.db2.gz BUBDEMFVDCRQOD-CHWSQXEVSA-N 2 1 264.369 2.063 20 0 CEADMP Cc1ccc([C@@H](C)[N@@H+](C)CCOCC[NH3+])c(C)c1 ZINC000357024664 394684511 /nfs/dbraw/zinc/68/45/11/394684511.db2.gz FYRQROFGMUHVME-CQSZACIVSA-N 2 1 250.386 2.272 20 0 CEADMP CCCCOCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422731866 394745166 /nfs/dbraw/zinc/74/51/66/394745166.db2.gz OEMFRRVDUPDFNQ-LBPRGKRZSA-N 2 1 251.374 2.352 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357105993 394695661 /nfs/dbraw/zinc/69/56/61/394695661.db2.gz OSIJNDFVQLKQAK-ZBFHGGJFSA-N 2 1 274.408 2.299 20 0 CEADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H]1CC1(C)C ZINC000414085935 394699038 /nfs/dbraw/zinc/69/90/38/394699038.db2.gz ZAJGOEKRTIMMQL-GJZGRUSLSA-N 2 1 268.445 2.248 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2C)[C@@H](C)C1 ZINC000268939800 394703124 /nfs/dbraw/zinc/70/31/24/394703124.db2.gz SIPKTOQOGMFAKV-XIRDDKMYSA-N 2 1 276.424 2.348 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000268952491 394703890 /nfs/dbraw/zinc/70/38/90/394703890.db2.gz CMZTXAMIGDQQBV-RJZRQDKASA-N 2 1 282.453 2.274 20 0 CEADMP C[C@@H]1C[C@H](C)N(Cc2ncc(C[NH+](C)C)s2)C[C@H]1C[NH3+] ZINC000422561500 394710460 /nfs/dbraw/zinc/71/04/60/394710460.db2.gz LNZHOIWXMUEQJW-FRRDWIJNSA-N 2 1 296.484 2.010 20 0 CEADMP Cc1cccn2c(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cnc12 ZINC000422561095 394710477 /nfs/dbraw/zinc/71/04/77/394710477.db2.gz IZPCIWJUEZNQML-ILXRZTDVSA-N 2 1 286.423 2.448 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000422735492 394747630 /nfs/dbraw/zinc/74/76/30/394747630.db2.gz DWVCFENWIDGKLE-UONOGXRCSA-N 3 1 263.429 2.354 20 0 CEADMP CCc1cccc(OCC[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000422626227 394721012 /nfs/dbraw/zinc/72/10/12/394721012.db2.gz DLBMTDMSHQGNSZ-UHFFFAOYSA-N 2 1 274.408 2.456 20 0 CEADMP COC(=O)c1coc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414168357 394721220 /nfs/dbraw/zinc/72/12/20/394721220.db2.gz AEPQTMTVOGYXJX-OLZOCXBDSA-N 2 1 294.395 2.449 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414168496 394721499 /nfs/dbraw/zinc/72/14/99/394721499.db2.gz AEOVKHOEGNUCLO-JSGCOSHPSA-N 2 1 264.417 2.111 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414690783 394747855 /nfs/dbraw/zinc/74/78/55/394747855.db2.gz ILSUPVRDFJSQJL-HRCADAONSA-N 2 1 297.487 2.377 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414690783 394747859 /nfs/dbraw/zinc/74/78/59/394747859.db2.gz ILSUPVRDFJSQJL-HRCADAONSA-N 2 1 297.487 2.377 20 0 CEADMP CC(C)CN(C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)C(C)C ZINC000422637509 394722276 /nfs/dbraw/zinc/72/22/76/394722276.db2.gz OOXGQOSIMBIZNV-XHSDSOJGSA-N 2 1 297.487 2.185 20 0 CEADMP CC(C)CN(C(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)C(C)C ZINC000422637509 394722280 /nfs/dbraw/zinc/72/22/80/394722280.db2.gz OOXGQOSIMBIZNV-XHSDSOJGSA-N 2 1 297.487 2.185 20 0 CEADMP CC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccn(C)n1 ZINC000414177917 394723534 /nfs/dbraw/zinc/72/35/34/394723534.db2.gz IVUUENNMPHHKNI-CQSZACIVSA-N 2 1 269.352 2.309 20 0 CEADMP C[N@@H+](CCN[C@@H]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000422701948 394726517 /nfs/dbraw/zinc/72/65/17/394726517.db2.gz JOYDUCTXMYNWHG-GDBMZVCRSA-N 2 1 267.461 2.358 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422703755 394728049 /nfs/dbraw/zinc/72/80/49/394728049.db2.gz ILIXEWAVHWCATQ-CABCVRRESA-N 2 1 297.512 2.208 20 0 CEADMP C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)[C@H]1CCCC[NH2+]1 ZINC000422739129 394751140 /nfs/dbraw/zinc/75/11/40/394751140.db2.gz ZWQZYSOKZSSMSN-XJKSGUPXSA-N 2 1 274.408 2.284 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H]1C ZINC000359433743 394754310 /nfs/dbraw/zinc/75/43/10/394754310.db2.gz WHRANGOZCYPBIK-IBEHDNSVSA-N 2 1 296.455 2.427 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H]1C ZINC000359433743 394754315 /nfs/dbraw/zinc/75/43/15/394754315.db2.gz WHRANGOZCYPBIK-IBEHDNSVSA-N 2 1 296.455 2.427 20 0 CEADMP CCOC(=O)c1c[nH+]ccc1N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000359507037 394758635 /nfs/dbraw/zinc/75/86/35/394758635.db2.gz WVNGIXUULQCXLU-LBPRGKRZSA-N 2 1 293.411 2.068 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1NCC[N@H+](C)Cc1ccccc1 ZINC000422750465 394758918 /nfs/dbraw/zinc/75/89/18/394758918.db2.gz AYWAHXAKVXOFRP-RDJZCZTQSA-N 2 1 275.440 2.096 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@@H]1NCC[N@@H+](C)Cc1ccccc1 ZINC000422750465 394758921 /nfs/dbraw/zinc/75/89/21/394758921.db2.gz AYWAHXAKVXOFRP-RDJZCZTQSA-N 2 1 275.440 2.096 20 0 CEADMP CCn1nc(C[NH2+]C[C@@H](C)C[NH2+]C)c2ccccc21 ZINC000414832231 394760144 /nfs/dbraw/zinc/76/01/44/394760144.db2.gz FEGFPQGNOXZJDF-LBPRGKRZSA-N 2 1 260.385 2.001 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC000414834587 394761493 /nfs/dbraw/zinc/76/14/93/394761493.db2.gz GRCHXQIFRIVNRS-LBPRGKRZSA-N 2 1 290.386 2.265 20 0 CEADMP C[C@H]([NH2+]CCOc1ccccc1)c1c[nH+]ccc1N ZINC000422755545 394762085 /nfs/dbraw/zinc/76/20/85/394762085.db2.gz KOMVLQBERDXEBM-LBPRGKRZSA-N 2 1 257.337 2.224 20 0 CEADMP Cc1cccc(N2CCC([NH2+][C@H]3CCC[C@H]3C[NH3+])CC2)[nH+]1 ZINC000422760085 394764505 /nfs/dbraw/zinc/76/45/05/394764505.db2.gz LOJBASKZQBIVBE-HOCLYGCPSA-N 3 1 288.439 2.076 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000414955214 394823001 /nfs/dbraw/zinc/82/30/01/394823001.db2.gz LXDOHUUBLUFWBP-TZMCWYRMSA-N 2 1 262.397 2.140 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422767412 394769792 /nfs/dbraw/zinc/76/97/92/394769792.db2.gz SBZBESUKKXMDHR-ILXRZTDVSA-N 2 1 267.461 2.214 20 0 CEADMP c1c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc2ccccn12 ZINC000422767950 394769840 /nfs/dbraw/zinc/76/98/40/394769840.db2.gz NJRLUZVWTRJFHC-ARFHVFGLSA-N 2 1 284.407 2.345 20 0 CEADMP c1c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc2ccccn12 ZINC000422767951 394770188 /nfs/dbraw/zinc/77/01/88/394770188.db2.gz NJRLUZVWTRJFHC-BZUAXINKSA-N 2 1 284.407 2.345 20 0 CEADMP C[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414857261 394773917 /nfs/dbraw/zinc/77/39/17/394773917.db2.gz CGJORPRZFWZVJO-NVXWUHKLSA-N 2 1 275.440 2.239 20 0 CEADMP FC1(F)Oc2cccc(C[NH2+]C[C@H]3CCC[NH2+]C3)c2O1 ZINC000414856202 394774065 /nfs/dbraw/zinc/77/40/65/394774065.db2.gz OBEYJAKRIPMHKD-JTQLQIEISA-N 2 1 284.306 2.097 20 0 CEADMP COc1ccc(C)cc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414858835 394774734 /nfs/dbraw/zinc/77/47/34/394774734.db2.gz SNDGOTHUXUMXMU-ZIAGYGMSSA-N 2 1 262.397 2.481 20 0 CEADMP C[NH2+]CCC[NH2+]Cc1cc(Br)c(OC)s1 ZINC000414860702 394776206 /nfs/dbraw/zinc/77/62/06/394776206.db2.gz QIBLJRZTOYZBPB-UHFFFAOYSA-N 2 1 293.230 2.218 20 0 CEADMP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414864418 394776679 /nfs/dbraw/zinc/77/66/79/394776679.db2.gz YMSISFZHBWFKAE-NSHDSACASA-N 2 1 296.798 2.216 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000422778328 394777550 /nfs/dbraw/zinc/77/75/50/394777550.db2.gz DJXPTNTVUWIYSS-HIFRSBDPSA-N 2 1 254.418 2.313 20 0 CEADMP C[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)Oc1ccc(F)cc1 ZINC000422779523 394778350 /nfs/dbraw/zinc/77/83/50/394778350.db2.gz BWOOZUOAXKTFFA-LALPHHSUSA-N 2 1 266.360 2.323 20 0 CEADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414873479 394781949 /nfs/dbraw/zinc/78/19/49/394781949.db2.gz XRIMBCXIPRECEB-LSDHHAIUSA-N 2 1 292.423 2.367 20 0 CEADMP CCCCOCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422784934 394782574 /nfs/dbraw/zinc/78/25/74/394782574.db2.gz QFMILXJNZGRQBE-GOEBONIOSA-N 2 1 264.413 2.351 20 0 CEADMP COc1ccc(C)cc1CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422785681 394783675 /nfs/dbraw/zinc/78/36/75/394783675.db2.gz NTMWPHFBFHOYJX-HIFRSBDPSA-N 2 1 262.397 2.134 20 0 CEADMP CCN(CCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422787855 394786027 /nfs/dbraw/zinc/78/60/27/394786027.db2.gz QPTNLUUQWNDRSD-NVXWUHKLSA-N 2 1 275.440 2.491 20 0 CEADMP Fc1cccc(Cl)c1CCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000414882389 394786730 /nfs/dbraw/zinc/78/67/30/394786730.db2.gz MHXCAESFOQDYQX-SNVBAGLBSA-N 2 1 256.752 2.363 20 0 CEADMP Cc1cccc(O[C@@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422790610 394788185 /nfs/dbraw/zinc/78/81/85/394788185.db2.gz PLRDBVZPTRMQRL-LZWOXQAQSA-N 2 1 262.397 2.492 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1ccc(OCc2ccncc2)cc1)C1CC1 ZINC000414886033 394788435 /nfs/dbraw/zinc/78/84/35/394788435.db2.gz CFDFKILZQFKFOM-GOSISDBHSA-N 2 1 297.402 2.488 20 0 CEADMP [NH3+][C@@H](C[NH2+]Cc1ccc(OCC(F)F)cc1)C1CC1 ZINC000414891477 394791343 /nfs/dbraw/zinc/79/13/43/394791343.db2.gz IJOIIOCKHCRYRT-ZDUSSCGKSA-N 2 1 270.323 2.157 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1c[nH+]ccc1N ZINC000422796765 394793638 /nfs/dbraw/zinc/79/36/38/394793638.db2.gz KMEIAUIYFCGJEU-DZGCQCFKSA-N 2 1 288.439 2.409 20 0 CEADMP [NH3+][C@H](C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)C1CC1 ZINC000414895333 394793996 /nfs/dbraw/zinc/79/39/96/394793996.db2.gz NCWWMNSXKKLFKP-IAGOWNOFSA-N 2 1 290.407 2.071 20 0 CEADMP C[C@@]1(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)CCC[NH2+]C1 ZINC000414900751 394795523 /nfs/dbraw/zinc/79/55/23/394795523.db2.gz IWSQJXMKXYBGRQ-DZGCQCFKSA-N 2 1 295.452 2.474 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H](C)CCC[NH3+])[NH+]1CCC(C)CC1 ZINC000422842237 394824819 /nfs/dbraw/zinc/82/48/19/394824819.db2.gz FLVTUUXSTUUQLD-JKSUJKDBSA-N 3 1 269.477 2.460 20 0 CEADMP C[NH+](C)Cc1cnc(CNC[C@@H]2[NH2+]CCCC2(C)C)s1 ZINC000414921465 394805367 /nfs/dbraw/zinc/80/53/67/394805367.db2.gz BOCVEYZHDDLMTH-ZDUSSCGKSA-N 2 1 296.484 2.073 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCc3nn(C)cc32)CC1 ZINC000335922319 394812107 /nfs/dbraw/zinc/81/21/07/394812107.db2.gz VRUJRJUACDGCGN-OAHLLOKOSA-N 2 1 276.428 2.260 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)n[nH]2)CC[NH2+]1 ZINC000414939869 394812997 /nfs/dbraw/zinc/81/29/97/394812997.db2.gz BGVHJXRBXISTBX-JSGCOSHPSA-N 2 1 270.380 2.307 20 0 CEADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)C[NH3+])CC3 ZINC000414943045 394814110 /nfs/dbraw/zinc/81/41/10/394814110.db2.gz LATQYOIQOKFFBA-RYUDHWBXSA-N 2 1 257.381 2.270 20 0 CEADMP CCOC(=O)C[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CCCC1 ZINC000414704081 394749928 /nfs/dbraw/zinc/74/99/28/394749928.db2.gz KFEKDNIRXYFHTD-KGLIPLIRSA-N 2 1 282.428 2.182 20 0 CEADMP CC(C)(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415051067 394864573 /nfs/dbraw/zinc/86/45/73/394864573.db2.gz ZJXBBPZYAXOCRM-MRXNPFEDSA-N 2 1 276.424 2.452 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCNc1ccccc1F ZINC000423026415 394884860 /nfs/dbraw/zinc/88/48/60/394884860.db2.gz BECTYPKDPCWXMW-DOMZBBRYSA-N 2 1 265.376 2.215 20 0 CEADMP C[C@H]1CC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C[C@@H]1C ZINC000129455523 394866604 /nfs/dbraw/zinc/86/66/04/394866604.db2.gz VIKJJXKXBWDEGU-YESZJQIVSA-N 2 1 281.488 2.428 20 0 CEADMP CC(=O)Nc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000415062184 394869385 /nfs/dbraw/zinc/86/93/85/394869385.db2.gz DSKVGHWAHJNPPG-MRXNPFEDSA-N 2 1 275.396 2.252 20 0 CEADMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422969959 394870033 /nfs/dbraw/zinc/87/00/33/394870033.db2.gz VKNFRPDCOVATPT-GBIKHYSHSA-N 2 1 251.374 2.125 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000129646632 394870255 /nfs/dbraw/zinc/87/02/55/394870255.db2.gz MFHOUHZSJAQGCD-PBHICJAKSA-N 2 1 279.472 2.323 20 0 CEADMP Cc1ccn2c(C[NH2+][C@H](C[NH3+])C3CCCC3)cnc2c1 ZINC000415064443 394870488 /nfs/dbraw/zinc/87/04/88/394870488.db2.gz KQKUCBZHSVPBPJ-OAHLLOKOSA-N 2 1 272.396 2.250 20 0 CEADMP COCc1cccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000415065184 394872224 /nfs/dbraw/zinc/87/22/24/394872224.db2.gz MEKLTCZBBRIEKZ-INIZCTEOSA-N 2 1 262.397 2.440 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000336803112 394873811 /nfs/dbraw/zinc/87/38/11/394873811.db2.gz XCQAARSELSMOTI-CQSZACIVSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000336803112 394873815 /nfs/dbraw/zinc/87/38/15/394873815.db2.gz XCQAARSELSMOTI-CQSZACIVSA-N 2 1 263.385 2.083 20 0 CEADMP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415071018 394874290 /nfs/dbraw/zinc/87/42/90/394874290.db2.gz SBFNMCQOTQAAEK-UKRRQHHQSA-N 2 1 262.397 2.358 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH3+])CC1CCC(c2ccccc2)CC1 ZINC000415069519 394874657 /nfs/dbraw/zinc/87/46/57/394874657.db2.gz OTLGWWYVYNTHLR-BDVYOWHSSA-N 2 1 276.424 2.212 20 0 CEADMP COc1cc(Cl)ccc1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415075397 394876811 /nfs/dbraw/zinc/87/68/11/394876811.db2.gz FANKQJJFTARDNB-AWEZNQCLSA-N 2 1 268.788 2.438 20 0 CEADMP CC(C)COCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336806350 394878187 /nfs/dbraw/zinc/87/81/87/394878187.db2.gz VDXYKSRNDTYJIO-MRXNPFEDSA-N 2 1 268.445 2.323 20 0 CEADMP CC(C)COCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336806350 394878189 /nfs/dbraw/zinc/87/81/89/394878189.db2.gz VDXYKSRNDTYJIO-MRXNPFEDSA-N 2 1 268.445 2.323 20 0 CEADMP CC(C)COCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336806350 394878193 /nfs/dbraw/zinc/87/81/93/394878193.db2.gz VDXYKSRNDTYJIO-MRXNPFEDSA-N 2 1 268.445 2.323 20 0 CEADMP CC(C)COCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336806350 394878196 /nfs/dbraw/zinc/87/81/96/394878196.db2.gz VDXYKSRNDTYJIO-MRXNPFEDSA-N 2 1 268.445 2.323 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccccc2)c2ccccc21 ZINC000423009407 394878362 /nfs/dbraw/zinc/87/83/62/394878362.db2.gz VNLWXPLJIYADRB-ZTFGCOKTSA-N 2 1 282.387 2.497 20 0 CEADMP CC(C)[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCCC1 ZINC000129992023 394878558 /nfs/dbraw/zinc/87/85/58/394878558.db2.gz WSLHTZHWZOHYCV-JYJNAYRXSA-N 2 1 267.461 2.179 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccccc2)c2ccccc21 ZINC000423009405 394879173 /nfs/dbraw/zinc/87/91/73/394879173.db2.gz VNLWXPLJIYADRB-OLMNPRSZSA-N 2 1 282.387 2.497 20 0 CEADMP Cn1nccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415084586 394881629 /nfs/dbraw/zinc/88/16/29/394881629.db2.gz OWUTXDLXCZUCAY-GOEBONIOSA-N 2 1 270.380 2.003 20 0 CEADMP C[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])[N@H+]1CCCC[C@H]1C ZINC000422853162 394830537 /nfs/dbraw/zinc/83/05/37/394830537.db2.gz BOFOBNZVYMHSEO-FPCVCCKLSA-N 2 1 267.461 2.356 20 0 CEADMP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])N1CCCC[C@H]1C ZINC000422853162 394830540 /nfs/dbraw/zinc/83/05/40/394830540.db2.gz BOFOBNZVYMHSEO-FPCVCCKLSA-N 2 1 267.461 2.356 20 0 CEADMP FC1(F)CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000423013629 394882726 /nfs/dbraw/zinc/88/27/26/394882726.db2.gz NBMJULBGEYZMNY-MJBXVCDLSA-N 2 1 288.382 2.311 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[NH+]1CCC(C)CC1 ZINC000422858746 394833693 /nfs/dbraw/zinc/83/36/93/394833693.db2.gz JDHLSCFWGZBPPB-AWEZNQCLSA-N 2 1 290.455 2.231 20 0 CEADMP CCOC(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)OCC ZINC000125137338 394841548 /nfs/dbraw/zinc/84/15/48/394841548.db2.gz AROSGALKUHIMKI-GDBMZVCRSA-N 2 1 296.455 2.334 20 0 CEADMP CCOC(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OCC ZINC000125137338 394841553 /nfs/dbraw/zinc/84/15/53/394841553.db2.gz AROSGALKUHIMKI-GDBMZVCRSA-N 2 1 296.455 2.334 20 0 CEADMP CCOC(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)OCC ZINC000125137338 394841559 /nfs/dbraw/zinc/84/15/59/394841559.db2.gz AROSGALKUHIMKI-GDBMZVCRSA-N 2 1 296.455 2.334 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422874937 394843894 /nfs/dbraw/zinc/84/38/94/394843894.db2.gz DQDWGLOPRUMSHW-SOUVJXGZSA-N 3 1 255.450 2.356 20 0 CEADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000415005341 394845069 /nfs/dbraw/zinc/84/50/69/394845069.db2.gz JFAUVKHNGSAQMW-HTQZYQBOSA-N 2 1 275.165 2.414 20 0 CEADMP C[C@H](CCC[NH3+])[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000422880101 394846958 /nfs/dbraw/zinc/84/69/58/394846958.db2.gz LPZWCKDHCORDRT-HUUCEWRRSA-N 3 1 255.450 2.358 20 0 CEADMP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000415088291 394883835 /nfs/dbraw/zinc/88/38/35/394883835.db2.gz WGLKVZRHTBGDBV-BFHYXJOUSA-N 2 1 254.418 2.169 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422884612 394849447 /nfs/dbraw/zinc/84/94/47/394849447.db2.gz SEFDBFHNWPUIOO-OWCLPIDISA-N 3 1 267.461 2.216 20 0 CEADMP COc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1OC(F)F ZINC000415016110 394850737 /nfs/dbraw/zinc/85/07/37/394850737.db2.gz ZNTXHGKUGDZZIM-RKDXNWHRSA-N 2 1 274.311 2.122 20 0 CEADMP CCCCC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362262080 394850767 /nfs/dbraw/zinc/85/07/67/394850767.db2.gz RFNSJGIPPDSAQE-MRXNPFEDSA-N 2 1 267.461 2.277 20 0 CEADMP Cc1nc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)sc1C ZINC000422893475 394853099 /nfs/dbraw/zinc/85/30/99/394853099.db2.gz QSHFSXQHPDGPGY-SNVBAGLBSA-N 2 1 276.409 2.461 20 0 CEADMP COc1ccccc1SC[C@@H](C)C[NH2+][C@H]1CC[NH2+]C1 ZINC000415087946 394884061 /nfs/dbraw/zinc/88/40/61/394884061.db2.gz WRNMFSKGYYIIOH-STQMWFEESA-N 2 1 280.437 2.375 20 0 CEADMP C[C@@H]1C[C@@H](NCC2([NH+](C)C)CCCCC2)C[N@H+]1C1CC1 ZINC000128451087 394854738 /nfs/dbraw/zinc/85/47/38/394854738.db2.gz YGZVFBFKQYWZKT-HUUCEWRRSA-N 2 1 279.472 2.466 20 0 CEADMP c1ccc2cc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)ccc2c1 ZINC000415034297 394856730 /nfs/dbraw/zinc/85/67/30/394856730.db2.gz HOTARKYKMTVBSF-KRWDZBQOSA-N 2 1 270.376 2.308 20 0 CEADMP C[C@@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000422911915 394859929 /nfs/dbraw/zinc/85/99/29/394859929.db2.gz UVMGNZCOFNPOKJ-RYRKJORJSA-N 2 1 289.467 2.485 20 0 CEADMP C[C@@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000422911915 394859933 /nfs/dbraw/zinc/85/99/33/394859933.db2.gz UVMGNZCOFNPOKJ-RYRKJORJSA-N 2 1 289.467 2.485 20 0 CEADMP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c2ccccc21 ZINC000423196113 394887999 /nfs/dbraw/zinc/88/79/99/394887999.db2.gz YXBNDHQPPUKJRX-DGAVXFQQSA-N 2 1 282.334 2.270 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000337379055 394889765 /nfs/dbraw/zinc/88/97/65/394889765.db2.gz IGICQEVYIZQJRP-RCCFBDPRSA-N 2 1 293.499 2.428 20 0 CEADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C[C@@H]([NH3+])CC(C)C)cn1 ZINC000415101205 394890220 /nfs/dbraw/zinc/89/02/20/394890220.db2.gz HGBXGUZIFMDMAA-HRCADAONSA-N 2 1 294.443 2.086 20 0 CEADMP CC(C)COc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415107598 394892402 /nfs/dbraw/zinc/89/24/02/394892402.db2.gz JFMBAVIYKJPJCW-QGZVFWFLSA-N 2 1 292.423 2.271 20 0 CEADMP CC(C)COc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415107598 394892406 /nfs/dbraw/zinc/89/24/06/394892406.db2.gz JFMBAVIYKJPJCW-QGZVFWFLSA-N 2 1 292.423 2.271 20 0 CEADMP c1cn(CCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000415115583 394894564 /nfs/dbraw/zinc/89/45/64/394894564.db2.gz UGCJIOMUXJKTKW-IAGOWNOFSA-N 2 1 284.407 2.356 20 0 CEADMP CCc1ncc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000415125518 394898352 /nfs/dbraw/zinc/89/83/52/394898352.db2.gz LJBCBJFDWCKHMT-WDEREUQCSA-N 2 1 253.415 2.122 20 0 CEADMP CCc1ncc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000415125518 394898354 /nfs/dbraw/zinc/89/83/54/394898354.db2.gz LJBCBJFDWCKHMT-WDEREUQCSA-N 2 1 253.415 2.122 20 0 CEADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423355671 394899036 /nfs/dbraw/zinc/89/90/36/394899036.db2.gz FTWQKMAYHGNXMP-IAOVAPTHSA-N 2 1 294.414 2.361 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415125871 394899092 /nfs/dbraw/zinc/89/90/92/394899092.db2.gz LMAWKMHNWZXMLE-RHSMWYFYSA-N 2 1 299.422 2.177 20 0 CEADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423368422 394903791 /nfs/dbraw/zinc/90/37/91/394903791.db2.gz RXNXSRYJVRYZJN-VGWMRTNUSA-N 2 1 296.455 2.476 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C12CCCC2 ZINC000423372199 394904893 /nfs/dbraw/zinc/90/48/93/394904893.db2.gz IAWBNBVXXZTERS-CBBWQLFWSA-N 2 1 266.429 2.454 20 0 CEADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1nc2ccccc2n1C ZINC000423391784 394911173 /nfs/dbraw/zinc/91/11/73/394911173.db2.gz PSSMUHJDMMTAMF-AVGNSLFASA-N 2 1 272.396 2.494 20 0 CEADMP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccc(C(=O)OC)cc1 ZINC000423455771 394924701 /nfs/dbraw/zinc/92/47/01/394924701.db2.gz CUOZIMOUVTZNDJ-MJVIPROJSA-N 2 1 264.369 2.250 20 0 CEADMP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423486673 394931990 /nfs/dbraw/zinc/93/19/90/394931990.db2.gz BUZYHPFKMNMANG-ZBFHGGJFSA-N 2 1 278.371 2.171 20 0 CEADMP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CC2 ZINC000423490628 394934606 /nfs/dbraw/zinc/93/46/06/394934606.db2.gz IIKWVQKCVUOSOP-HIFRSBDPSA-N 2 1 280.799 2.295 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccs1 ZINC000423511206 394942464 /nfs/dbraw/zinc/94/24/64/394942464.db2.gz KAWXIFWXRGNBNW-NEPJUHHUSA-N 2 1 254.399 2.167 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1nncn1C ZINC000340232986 394982292 /nfs/dbraw/zinc/98/22/92/394982292.db2.gz VWFLWLFVUQZJJN-NUEKZKHPSA-N 2 1 299.422 2.301 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CCc2cnccn2)C[C@@H]1c1ccccc1 ZINC000340317588 394984270 /nfs/dbraw/zinc/98/42/70/394984270.db2.gz QTTKYPUGPDXHNL-FUHWJXTLSA-N 2 1 296.418 2.444 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cnccn2)C[C@@H]1c1ccccc1 ZINC000340317588 394984274 /nfs/dbraw/zinc/98/42/74/394984274.db2.gz QTTKYPUGPDXHNL-FUHWJXTLSA-N 2 1 296.418 2.444 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)C2CC2)C[C@@H]1c1ccccc1 ZINC000340391143 394984883 /nfs/dbraw/zinc/98/48/83/394984883.db2.gz RIGYWNKOIGOTEQ-OKZBNKHCSA-N 2 1 288.435 2.430 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)C2CC2)C[C@@H]1c1ccccc1 ZINC000340391143 394984884 /nfs/dbraw/zinc/98/48/84/394984884.db2.gz RIGYWNKOIGOTEQ-OKZBNKHCSA-N 2 1 288.435 2.430 20 0 CEADMP CC(C)SCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000368485612 394987051 /nfs/dbraw/zinc/98/70/51/394987051.db2.gz WUTSCLLRTSILHB-RRFJBIMHSA-N 2 1 286.485 2.312 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H](O)C(F)(F)F ZINC000341375681 394999922 /nfs/dbraw/zinc/99/99/22/394999922.db2.gz UGMKRUXWAQZYEU-VXGBXAGGSA-N 2 1 282.350 2.151 20 0 CEADMP CCCCCC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370819121 395015157 /nfs/dbraw/zinc/01/51/57/395015157.db2.gz IYXJUUQEODDDKU-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H](C)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367675497 394968409 /nfs/dbraw/zinc/96/84/09/394968409.db2.gz ZQQTTYBBKWQENJ-HOCLYGCPSA-N 2 1 267.461 2.133 20 0 CEADMP COCCC[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285848638 394972599 /nfs/dbraw/zinc/97/25/99/394972599.db2.gz XSYQRGVVEIWMPG-UHFFFAOYSA-N 2 1 254.374 2.070 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000343937715 395046649 /nfs/dbraw/zinc/04/66/49/395046649.db2.gz QAYVMZCWQHJGGA-IJEWVQPXSA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000343937715 395046654 /nfs/dbraw/zinc/04/66/54/395046654.db2.gz QAYVMZCWQHJGGA-IJEWVQPXSA-N 2 1 267.461 2.179 20 0 CEADMP CCCC[NH+](C)C[C@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000343937715 395046657 /nfs/dbraw/zinc/04/66/57/395046657.db2.gz QAYVMZCWQHJGGA-IJEWVQPXSA-N 2 1 267.461 2.179 20 0 CEADMP CC(C)OCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158544531 395048069 /nfs/dbraw/zinc/04/80/69/395048069.db2.gz FQVQEEYWWVFGOD-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)OCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158544531 395048073 /nfs/dbraw/zinc/04/80/73/395048073.db2.gz FQVQEEYWWVFGOD-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)OCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158544531 395048076 /nfs/dbraw/zinc/04/80/76/395048076.db2.gz FQVQEEYWWVFGOD-HUUCEWRRSA-N 2 1 254.418 2.218 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158901027 395056941 /nfs/dbraw/zinc/05/69/41/395056941.db2.gz ZNIBMUOUHPCDRS-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158901027 395056943 /nfs/dbraw/zinc/05/69/43/395056943.db2.gz ZNIBMUOUHPCDRS-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158901027 395056945 /nfs/dbraw/zinc/05/69/45/395056945.db2.gz ZNIBMUOUHPCDRS-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158901027 395056948 /nfs/dbraw/zinc/05/69/48/395056948.db2.gz ZNIBMUOUHPCDRS-ARFHVFGLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@@H](NCCC[NH+](C)C(C)C)[C@H](C)C1 ZINC000345240676 395064427 /nfs/dbraw/zinc/06/44/27/395064427.db2.gz UHAYVTXBGKJAJB-HUUCEWRRSA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+]1CC[C@@H](NCCC[N@H+](C)C(C)C)[C@H](C)C1 ZINC000345240676 395064431 /nfs/dbraw/zinc/06/44/31/395064431.db2.gz UHAYVTXBGKJAJB-HUUCEWRRSA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+]1CC[C@@H](NCCC[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000345240676 395064434 /nfs/dbraw/zinc/06/44/34/395064434.db2.gz UHAYVTXBGKJAJB-HUUCEWRRSA-N 2 1 255.450 2.037 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH+](C)C(C)C)[C@H](C)C1 ZINC000345240676 395064437 /nfs/dbraw/zinc/06/44/37/395064437.db2.gz UHAYVTXBGKJAJB-HUUCEWRRSA-N 3 1 255.450 2.037 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH+](C)C(C)C)[C@H](C)C1 ZINC000345240676 395064441 /nfs/dbraw/zinc/06/44/41/395064441.db2.gz UHAYVTXBGKJAJB-HUUCEWRRSA-N 3 1 255.450 2.037 20 0 CEADMP CC[NH+]1CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)[C@H](C)C1 ZINC000345240676 395064444 /nfs/dbraw/zinc/06/44/44/395064444.db2.gz UHAYVTXBGKJAJB-HUUCEWRRSA-N 3 1 255.450 2.037 20 0 CEADMP CC[NH+]1CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000345240676 395064447 /nfs/dbraw/zinc/06/44/47/395064447.db2.gz UHAYVTXBGKJAJB-HUUCEWRRSA-N 3 1 255.450 2.037 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000161946369 395068636 /nfs/dbraw/zinc/06/86/36/395068636.db2.gz HFSWWHJBLMZURN-RYUDHWBXSA-N 2 1 253.415 2.407 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000161946369 395068637 /nfs/dbraw/zinc/06/86/37/395068637.db2.gz HFSWWHJBLMZURN-RYUDHWBXSA-N 2 1 253.415 2.407 20 0 CEADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cn1 ZINC000425941401 395070446 /nfs/dbraw/zinc/07/04/46/395070446.db2.gz DBDKOJVOIXKBKR-CHWSQXEVSA-N 2 1 252.406 2.312 20 0 CEADMP Cc1nccn1CCCC[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000162316312 395072963 /nfs/dbraw/zinc/07/29/63/395072963.db2.gz AMDNQAIRENDIDO-HZPDHXFCSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000162316312 395072966 /nfs/dbraw/zinc/07/29/66/395072966.db2.gz AMDNQAIRENDIDO-HZPDHXFCSA-N 2 1 277.412 2.473 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000162316312 395072969 /nfs/dbraw/zinc/07/29/69/395072969.db2.gz AMDNQAIRENDIDO-HZPDHXFCSA-N 2 1 277.412 2.473 20 0 CEADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)CCC(F)(F)F ZINC000426041702 395072962 /nfs/dbraw/zinc/07/29/62/395072962.db2.gz GYJMNBHEMBHHEI-QWHCGFSZSA-N 2 1 295.393 2.191 20 0 CEADMP CCN(CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)CCC(F)(F)F ZINC000426041701 395072988 /nfs/dbraw/zinc/07/29/88/395072988.db2.gz GYJMNBHEMBHHEI-OLZOCXBDSA-N 2 1 295.393 2.191 20 0 CEADMP COC(C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)OC ZINC000162420489 395073918 /nfs/dbraw/zinc/07/39/18/395073918.db2.gz FEQQCFDYZXKLIR-LBPRGKRZSA-N 2 1 289.379 2.450 20 0 CEADMP COC(C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)OC ZINC000162420368 395073929 /nfs/dbraw/zinc/07/39/29/395073929.db2.gz FEQQCFDYZXKLIR-GFCCVEGCSA-N 2 1 289.379 2.450 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC3CCC2CC3)CC1 ZINC000374291835 395079808 /nfs/dbraw/zinc/07/98/08/395079808.db2.gz DNWKCQGKTQWLEO-UHFFFAOYSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@@H]1CC[N@@H+](CC2CCOCC2)C[C@@H]1n1ccnc1 ZINC000163284848 395083395 /nfs/dbraw/zinc/08/33/95/395083395.db2.gz ISSIHGMTZSRBIK-HIFRSBDPSA-N 2 1 263.385 2.193 20 0 CEADMP C[C@@H]1CC[N@@H+](CCOCC2CC2)C[C@@H]1n1ccnc1 ZINC000163285868 395083865 /nfs/dbraw/zinc/08/38/65/395083865.db2.gz DBRFLPDXVADKCN-HIFRSBDPSA-N 2 1 263.385 2.193 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CSC1(C)C ZINC000374790953 395086849 /nfs/dbraw/zinc/08/68/49/395086849.db2.gz BPHFQJDVFBPIQA-CBBWQLFWSA-N 2 1 298.496 2.359 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CSC1(C)C ZINC000374790953 395086851 /nfs/dbraw/zinc/08/68/51/395086851.db2.gz BPHFQJDVFBPIQA-CBBWQLFWSA-N 2 1 298.496 2.359 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cccc2c1OCO2 ZINC000346660977 395102944 /nfs/dbraw/zinc/10/29/44/395102944.db2.gz ASCJXKSOAFULKM-ZDUSSCGKSA-N 2 1 264.369 2.221 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc2c1OCO2 ZINC000346660977 395102947 /nfs/dbraw/zinc/10/29/47/395102947.db2.gz ASCJXKSOAFULKM-ZDUSSCGKSA-N 2 1 264.369 2.221 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc2c1OCC2 ZINC000427124512 395093164 /nfs/dbraw/zinc/09/31/64/395093164.db2.gz SIZXTIPNFHVNMX-IAGOWNOFSA-N 2 1 286.419 2.238 20 0 CEADMP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@@H]3[NH2+]CC[C@@H]3C1)CC2 ZINC000428032987 395133427 /nfs/dbraw/zinc/13/34/27/395133427.db2.gz LVWHGWUIHYIUIW-UHOFOFEASA-N 2 1 260.356 2.497 20 0 CEADMP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@@H]3[NH2+]CC[C@@H]3C1)CC2 ZINC000428032987 395133431 /nfs/dbraw/zinc/13/34/31/395133431.db2.gz LVWHGWUIHYIUIW-UHOFOFEASA-N 2 1 260.356 2.497 20 0 CEADMP CO[C@]1(C)CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000348232819 395139348 /nfs/dbraw/zinc/13/93/48/395139348.db2.gz QKWAYKKKHODRRD-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@]1(C)CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000348232819 395139354 /nfs/dbraw/zinc/13/93/54/395139354.db2.gz QKWAYKKKHODRRD-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP CO[C@]1(C)CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000348232819 395139358 /nfs/dbraw/zinc/13/93/58/395139358.db2.gz QKWAYKKKHODRRD-LSDHHAIUSA-N 2 1 254.418 2.362 20 0 CEADMP C[N@H+](C[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000377660204 395141235 /nfs/dbraw/zinc/14/12/35/395141235.db2.gz UQGHPQOHXJMCEY-QBIMZIAESA-N 2 1 297.402 2.036 20 0 CEADMP C[N@@H+](C[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000377660204 395141239 /nfs/dbraw/zinc/14/12/39/395141239.db2.gz UQGHPQOHXJMCEY-QBIMZIAESA-N 2 1 297.402 2.036 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000379243804 395161535 /nfs/dbraw/zinc/16/15/35/395161535.db2.gz YAUXIRJBNVUUGY-HZPDHXFCSA-N 2 1 260.381 2.060 20 0 CEADMP C[NH+](C)[C@H](CNC(=O)CC(C)(C)[NH3+])c1ccccc1Cl ZINC000178662325 395171939 /nfs/dbraw/zinc/17/19/39/395171939.db2.gz NJLCIRGDXKMGEC-CYBMUJFWSA-N 2 1 297.830 2.186 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000352065408 395244563 /nfs/dbraw/zinc/24/45/63/395244563.db2.gz KXUQFCQEKYVFEK-ILXRZTDVSA-N 2 1 283.460 2.094 20 0 CEADMP c1ccc(COC[C@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000384055900 395188927 /nfs/dbraw/zinc/18/89/27/395188927.db2.gz XJVYHDKAWBJRAJ-IRXDYDNUSA-N 2 1 274.408 2.135 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000292908230 395208951 /nfs/dbraw/zinc/20/89/51/395208951.db2.gz WONOOOSGLYGTEF-WBVHZDCISA-N 2 1 294.414 2.003 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000292908230 395208955 /nfs/dbraw/zinc/20/89/55/395208955.db2.gz WONOOOSGLYGTEF-WBVHZDCISA-N 2 1 294.414 2.003 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000292908230 395208960 /nfs/dbraw/zinc/20/89/60/395208960.db2.gz WONOOOSGLYGTEF-WBVHZDCISA-N 2 1 294.414 2.003 20 0 CEADMP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]CC[C@@H]1CCOC1 ZINC000438183626 395209614 /nfs/dbraw/zinc/20/96/14/395209614.db2.gz AEVWJAODTJNLCE-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000519710310 395212116 /nfs/dbraw/zinc/21/21/16/395212116.db2.gz XYNCGTJXJVWSGJ-AEFFLSMTSA-N 2 1 290.451 2.405 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000519710310 395212119 /nfs/dbraw/zinc/21/21/19/395212119.db2.gz XYNCGTJXJVWSGJ-AEFFLSMTSA-N 2 1 290.451 2.405 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000519710310 395212122 /nfs/dbraw/zinc/21/21/22/395212122.db2.gz XYNCGTJXJVWSGJ-AEFFLSMTSA-N 2 1 290.451 2.405 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000519710310 395212130 /nfs/dbraw/zinc/21/21/30/395212130.db2.gz XYNCGTJXJVWSGJ-AEFFLSMTSA-N 2 1 290.451 2.405 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]1C1CCCCC1)C1CC1 ZINC000351391084 395214865 /nfs/dbraw/zinc/21/48/65/395214865.db2.gz WHSPYMLDUJEQIU-SJORKVTESA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]1C1CCCCC1)C1CC1 ZINC000351391084 395214869 /nfs/dbraw/zinc/21/48/69/395214869.db2.gz WHSPYMLDUJEQIU-SJORKVTESA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCCCC1)C1CC1 ZINC000351391084 395214874 /nfs/dbraw/zinc/21/48/74/395214874.db2.gz WHSPYMLDUJEQIU-SJORKVTESA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]1C1CCCCC1)C1CC1 ZINC000351391084 395214879 /nfs/dbraw/zinc/21/48/79/395214879.db2.gz WHSPYMLDUJEQIU-SJORKVTESA-N 2 1 280.456 2.486 20 0 CEADMP CCc1cc(N2CCC([C@H]3CC[NH2+]C3)CC2)nc(C)[nH+]1 ZINC000420260406 395284608 /nfs/dbraw/zinc/28/46/08/395284608.db2.gz NSUNGVASMZEYCN-AWEZNQCLSA-N 2 1 274.412 2.173 20 0 CEADMP COc1ccc(OCC[N@@H+](C)CC[C@H]2CC[NH2+]C2)cc1 ZINC000420323359 395325465 /nfs/dbraw/zinc/32/54/65/395325465.db2.gz SYTVVUHGBPRRIS-CQSZACIVSA-N 2 1 278.396 2.005 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000186734060 395294358 /nfs/dbraw/zinc/29/43/58/395294358.db2.gz QWDPVOHGFIYMGH-YESZJQIVSA-N 2 1 279.472 2.467 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C1CCSCC1 ZINC000186997658 395296438 /nfs/dbraw/zinc/29/64/38/395296438.db2.gz UWFAQWNPCJONND-ZDUSSCGKSA-N 2 1 274.474 2.076 20 0 CEADMP CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[NH+](CC)CC ZINC000434418780 395297932 /nfs/dbraw/zinc/29/79/32/395297932.db2.gz FJRNPKIKTYJLKK-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[C@](C)(O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000187307759 395298913 /nfs/dbraw/zinc/29/89/13/395298913.db2.gz IYPDCHFIDCKZBE-DJIMGWMZSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000187307759 395298921 /nfs/dbraw/zinc/29/89/21/395298921.db2.gz IYPDCHFIDCKZBE-DJIMGWMZSA-N 2 1 280.456 2.342 20 0 CEADMP CC(C)[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000187307759 395298923 /nfs/dbraw/zinc/29/89/23/395298923.db2.gz IYPDCHFIDCKZBE-DJIMGWMZSA-N 2 1 280.456 2.342 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCC3)C2)[C@H]2CCC[C@@H]21 ZINC000353501991 395299708 /nfs/dbraw/zinc/29/97/08/395299708.db2.gz JZWITODQVPXHKE-BGTYHANMSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@H]2CCC[C@@H]21 ZINC000353501991 395299709 /nfs/dbraw/zinc/29/97/09/395299709.db2.gz JZWITODQVPXHKE-BGTYHANMSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@H]2CCC[C@@H]21 ZINC000353501991 395299711 /nfs/dbraw/zinc/29/97/11/395299711.db2.gz JZWITODQVPXHKE-BGTYHANMSA-N 2 1 291.483 2.466 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000353570680 395301909 /nfs/dbraw/zinc/30/19/09/395301909.db2.gz FMWQVXGKELGKAP-IJLUTSLNSA-N 2 1 282.350 2.415 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000353570680 395301910 /nfs/dbraw/zinc/30/19/10/395301910.db2.gz FMWQVXGKELGKAP-IJLUTSLNSA-N 2 1 282.350 2.415 20 0 CEADMP CC(C)(C)[C@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420297109 395301959 /nfs/dbraw/zinc/30/19/59/395301959.db2.gz FLFMXGFZBUJOER-YESZJQIVSA-N 2 1 290.451 2.428 20 0 CEADMP CC(C)(C)[C@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420297109 395301963 /nfs/dbraw/zinc/30/19/63/395301963.db2.gz FLFMXGFZBUJOER-YESZJQIVSA-N 2 1 290.451 2.428 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)s1 ZINC000420295730 395302602 /nfs/dbraw/zinc/30/26/02/395302602.db2.gz WACHHEQCYJWWIX-CMPLNLGQSA-N 2 1 296.436 2.402 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)s1 ZINC000420295730 395302606 /nfs/dbraw/zinc/30/26/06/395302606.db2.gz WACHHEQCYJWWIX-CMPLNLGQSA-N 2 1 296.436 2.402 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)s1 ZINC000420295736 395302696 /nfs/dbraw/zinc/30/26/96/395302696.db2.gz WACHHEQCYJWWIX-ZYHUDNBSSA-N 2 1 296.436 2.402 20 0 CEADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)s1 ZINC000420295736 395302701 /nfs/dbraw/zinc/30/27/01/395302701.db2.gz WACHHEQCYJWWIX-ZYHUDNBSSA-N 2 1 296.436 2.402 20 0 CEADMP CC[C@@H](C)[N@@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420299446 395305370 /nfs/dbraw/zinc/30/53/70/395305370.db2.gz GNXVLCIMTSBZOW-TZMCWYRMSA-N 2 1 250.386 2.468 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000353800215 395308759 /nfs/dbraw/zinc/30/87/59/395308759.db2.gz QMSFQKIVKUBKAY-OAGGEKHMSA-N 2 1 295.471 2.238 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCS1 ZINC000420305545 395309435 /nfs/dbraw/zinc/30/94/35/395309435.db2.gz POIUHRZUEAQULZ-KBPBESRZSA-N 2 1 256.459 2.450 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420305890 395311694 /nfs/dbraw/zinc/31/16/94/395311694.db2.gz KPGCYVSXPINXOA-YDHLFZDLSA-N 2 1 289.423 2.245 20 0 CEADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420305890 395311697 /nfs/dbraw/zinc/31/16/97/395311697.db2.gz KPGCYVSXPINXOA-YDHLFZDLSA-N 2 1 289.423 2.245 20 0 CEADMP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](C)C[C@@H]2C)cc1 ZINC000420308921 395312867 /nfs/dbraw/zinc/31/28/67/395312867.db2.gz SOANGGMCRRACEA-KCQAQPDRSA-N 2 1 262.397 2.468 20 0 CEADMP C(C[N@H+]1CCC[C@@H]1CN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000420317205 395319898 /nfs/dbraw/zinc/31/98/98/395319898.db2.gz MRBFLNIJYMTEBE-DLBZAZTESA-N 2 1 279.472 2.326 20 0 CEADMP C(CN1CCC[C@@H]1C[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000420317205 395319901 /nfs/dbraw/zinc/31/99/01/395319901.db2.gz MRBFLNIJYMTEBE-DLBZAZTESA-N 2 1 279.472 2.326 20 0 CEADMP CCN(C[C@H](C)[NH3+])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000420320768 395323252 /nfs/dbraw/zinc/32/32/52/395323252.db2.gz QGZYITCPZIAPMT-UXLLHSPISA-N 2 1 275.440 2.491 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000525640214 395264352 /nfs/dbraw/zinc/26/43/52/395264352.db2.gz VGJNKPULIXCUOX-OAHLLOKOSA-N 2 1 254.418 2.075 20 0 CEADMP C[N@@H+](C[C@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921775 395277053 /nfs/dbraw/zinc/27/70/53/395277053.db2.gz LPFMPSZJTDFPTE-IZGVIRRGSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](C[C@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921775 395277054 /nfs/dbraw/zinc/27/70/54/395277054.db2.gz LPFMPSZJTDFPTE-IZGVIRRGSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](C[C@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921775 395277058 /nfs/dbraw/zinc/27/70/58/395277058.db2.gz LPFMPSZJTDFPTE-IZGVIRRGSA-N 2 1 252.402 2.113 20 0 CEADMP Cc1ncsc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000355218615 395370941 /nfs/dbraw/zinc/37/09/41/395370941.db2.gz XUVSCPLRONWEIZ-MGPQQGTHSA-N 2 1 295.452 2.135 20 0 CEADMP Cc1ncsc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000355218615 395370944 /nfs/dbraw/zinc/37/09/44/395370944.db2.gz XUVSCPLRONWEIZ-MGPQQGTHSA-N 2 1 295.452 2.135 20 0 CEADMP CN(C)c1ccccc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435615784 395378610 /nfs/dbraw/zinc/37/86/10/395378610.db2.gz KKODGVGPFMZGEK-OAHLLOKOSA-N 2 1 261.413 2.327 20 0 CEADMP CC[N@H+](CC(=O)NC1CCCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435626639 395378890 /nfs/dbraw/zinc/37/88/90/395378890.db2.gz LIKLWJLMWNXIDU-INIZCTEOSA-N 2 1 295.471 2.289 20 0 CEADMP CC[N@@H+](CC(=O)NC1CCCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435626639 395378892 /nfs/dbraw/zinc/37/88/92/395378892.db2.gz LIKLWJLMWNXIDU-INIZCTEOSA-N 2 1 295.471 2.289 20 0 CEADMP C(c1nc(C2CCCC2)no1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420344481 395338409 /nfs/dbraw/zinc/33/84/09/395338409.db2.gz SWZQLLUKKCGUDS-UHFFFAOYSA-N 2 1 290.411 2.303 20 0 CEADMP Fc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CO2 ZINC000297385824 395341310 /nfs/dbraw/zinc/34/13/10/395341310.db2.gz IXFYQCYVDHAIJG-OAHLLOKOSA-N 2 1 290.382 2.346 20 0 CEADMP CC(C)CCC[C@H](C)NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420355924 395342404 /nfs/dbraw/zinc/34/24/04/395342404.db2.gz FPYMETPHDWIQNA-LSDHHAIUSA-N 2 1 297.487 2.295 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194018620 395422585 /nfs/dbraw/zinc/42/25/85/395422585.db2.gz WHTKVHVADONZHR-GBJTYRQASA-N 2 1 266.429 2.264 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194018620 395422586 /nfs/dbraw/zinc/42/25/86/395422586.db2.gz WHTKVHVADONZHR-GBJTYRQASA-N 2 1 266.429 2.264 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+]C2CC3(CCC3)C2)CC1 ZINC000448059419 395509509 /nfs/dbraw/zinc/50/95/09/395509509.db2.gz ZALBQMHXYJDHOY-UHFFFAOYSA-N 2 1 279.472 2.182 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000448547035 395513881 /nfs/dbraw/zinc/51/38/81/395513881.db2.gz QHVZWULONHROBI-LBPRGKRZSA-N 2 1 253.390 2.063 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)C(C)(C)O ZINC000448547035 395513883 /nfs/dbraw/zinc/51/38/83/395513883.db2.gz QHVZWULONHROBI-LBPRGKRZSA-N 2 1 253.390 2.063 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451414781 395614513 /nfs/dbraw/zinc/61/45/13/395614513.db2.gz DPRKPBDHODYATH-OAGGEKHMSA-N 2 1 277.412 2.207 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451414781 395614515 /nfs/dbraw/zinc/61/45/15/395614515.db2.gz DPRKPBDHODYATH-OAGGEKHMSA-N 2 1 277.412 2.207 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000568103848 395548507 /nfs/dbraw/zinc/54/85/07/395548507.db2.gz NYBSIUYFHKELLN-ZFWWWQNUSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C1CCCCC1 ZINC000568103848 395548509 /nfs/dbraw/zinc/54/85/09/395548509.db2.gz NYBSIUYFHKELLN-ZFWWWQNUSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C1CCCCC1 ZINC000568103848 395548511 /nfs/dbraw/zinc/54/85/11/395548511.db2.gz NYBSIUYFHKELLN-ZFWWWQNUSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000568103848 395548513 /nfs/dbraw/zinc/54/85/13/395548513.db2.gz NYBSIUYFHKELLN-ZFWWWQNUSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000568103848 395548515 /nfs/dbraw/zinc/54/85/15/395548515.db2.gz NYBSIUYFHKELLN-ZFWWWQNUSA-N 2 1 256.434 2.200 20 0 CEADMP C[C@@H](O)C[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000568407671 395558373 /nfs/dbraw/zinc/55/83/73/395558373.db2.gz KQVRLSVZPDUUOB-OAHLLOKOSA-N 2 1 287.407 2.236 20 0 CEADMP C[C@@H](O)C[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000568407671 395558375 /nfs/dbraw/zinc/55/83/75/395558375.db2.gz KQVRLSVZPDUUOB-OAHLLOKOSA-N 2 1 287.407 2.236 20 0 CEADMP C[C@@H](CC1CCCCC1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000569214833 395575025 /nfs/dbraw/zinc/57/50/25/395575025.db2.gz UVHVMGQATNYPQY-XJKSGUPXSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H](CC1CCCCC1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000569214833 395575026 /nfs/dbraw/zinc/57/50/26/395575026.db2.gz UVHVMGQATNYPQY-XJKSGUPXSA-N 2 1 268.445 2.390 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@H]2C)[C@@H](C)C1 ZINC000451140268 395585153 /nfs/dbraw/zinc/58/51/53/395585153.db2.gz TWNVCJKTAPNWMT-QUSNUVHPSA-N 2 1 298.471 2.279 20 0 CEADMP CO[C@H]1CC[N@H+](CCCn2cc[nH+]c2C)CC1(C)C ZINC000451570111 395623096 /nfs/dbraw/zinc/62/30/96/395623096.db2.gz UGYAWBVGDROEPP-AWEZNQCLSA-N 2 1 265.401 2.329 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCn2cc[nH+]c2C)CC1(C)C ZINC000451570111 395623099 /nfs/dbraw/zinc/62/30/99/395623099.db2.gz UGYAWBVGDROEPP-AWEZNQCLSA-N 2 1 265.401 2.329 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cn2ccccc2n1 ZINC000574770895 395637472 /nfs/dbraw/zinc/63/74/72/395637472.db2.gz MJBWPARKXPEOFU-MELADBBJSA-N 2 1 272.396 2.468 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000574829526 395638391 /nfs/dbraw/zinc/63/83/91/395638391.db2.gz MBNCPXAWOJCTIQ-UHFFFAOYSA-N 2 1 282.457 2.108 20 0 CEADMP C[C@@H]1C[C@H](NCc2noc3ccccc32)CC[N@H+]1C ZINC000574890102 395640156 /nfs/dbraw/zinc/64/01/56/395640156.db2.gz NXANAZGIDRTDOR-VXGBXAGGSA-N 2 1 259.353 2.400 20 0 CEADMP c1cncc([C@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000575046826 395644865 /nfs/dbraw/zinc/64/48/65/395644865.db2.gz JCUSUNVFCDMXSH-HOCLYGCPSA-N 2 1 259.397 2.261 20 0 CEADMP CCOC[C@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000575069919 395645751 /nfs/dbraw/zinc/64/57/51/395645751.db2.gz MWXKPZKCOZLXJI-OAHLLOKOSA-N 2 1 265.401 2.244 20 0 CEADMP CCOC[C@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000575069919 395645752 /nfs/dbraw/zinc/64/57/52/395645752.db2.gz MWXKPZKCOZLXJI-OAHLLOKOSA-N 2 1 265.401 2.244 20 0 CEADMP C[C@@H](CCc1ccccc1)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647493293 395721186 /nfs/dbraw/zinc/72/11/86/395721186.db2.gz ZQLQSOPZJORPKL-KRWDZBQOSA-N 2 1 289.467 2.092 20 0 CEADMP CC[C@@H]1C[N@@H+](CCCc2ccc(C)nc2)CC[C@@H]1[NH3+] ZINC000647497311 395721753 /nfs/dbraw/zinc/72/17/53/395721753.db2.gz COUVFUJMQVIPMP-CVEARBPZSA-N 2 1 261.413 2.382 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)o1 ZINC000647496360 395721889 /nfs/dbraw/zinc/72/18/89/395721889.db2.gz YUWNXTZYDCAKCA-BXUZGUMPSA-N 2 1 288.395 2.158 20 0 CEADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)o1 ZINC000647496360 395721890 /nfs/dbraw/zinc/72/18/90/395721890.db2.gz YUWNXTZYDCAKCA-BXUZGUMPSA-N 2 1 288.395 2.158 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)CC[C@H]1[NH3+] ZINC000647498736 395722376 /nfs/dbraw/zinc/72/23/76/395722376.db2.gz PAXBMYGGOBCJBL-DOTOQJQBSA-N 2 1 284.407 2.432 20 0 CEADMP C[C@@]1(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC[NH2+]C1 ZINC000647538405 395729480 /nfs/dbraw/zinc/72/94/80/395729480.db2.gz QEXJCAKZZHQBPI-JKSUJKDBSA-N 2 1 278.371 2.278 20 0 CEADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543324 395730966 /nfs/dbraw/zinc/73/09/66/395730966.db2.gz LADAUAYRZJGYKC-LSDHHAIUSA-N 2 1 276.428 2.238 20 0 CEADMP CC(C)[C@@H]1[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC12CC=CC2 ZINC000647614883 395738013 /nfs/dbraw/zinc/73/80/13/395738013.db2.gz PRHZPXLEEKOAPO-HOTGVXAUSA-N 2 1 278.440 2.118 20 0 CEADMP CC(C)[C@@H]1[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC12CC=CC2 ZINC000647614883 395738015 /nfs/dbraw/zinc/73/80/15/395738015.db2.gz PRHZPXLEEKOAPO-HOTGVXAUSA-N 2 1 278.440 2.118 20 0 CEADMP CC(C)[C@@H]1[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC12CC=CC2 ZINC000647614883 395738016 /nfs/dbraw/zinc/73/80/16/395738016.db2.gz PRHZPXLEEKOAPO-HOTGVXAUSA-N 2 1 278.440 2.118 20 0 CEADMP CC(C)[C@@H]1[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC12CC=CC2 ZINC000647614883 395738018 /nfs/dbraw/zinc/73/80/18/395738018.db2.gz PRHZPXLEEKOAPO-HOTGVXAUSA-N 2 1 278.440 2.118 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N[C@@H]3CCC[C@@H]([NH3+])C3)c2c1C ZINC000647707344 395746721 /nfs/dbraw/zinc/74/67/21/395746721.db2.gz GSHHUJZLDZSHID-GHMZBOCLSA-N 2 1 259.357 2.257 20 0 CEADMP CC[C@@H]1C[N@H+](CC(=O)N(C(C)C)C2CCCC2)CC[C@H]1[NH3+] ZINC000647936872 395779522 /nfs/dbraw/zinc/77/95/22/395779522.db2.gz MQDCPYIOPBFTJD-GDBMZVCRSA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C2CCCC2)CC[C@H]1[NH3+] ZINC000647936872 395779524 /nfs/dbraw/zinc/77/95/24/395779524.db2.gz MQDCPYIOPBFTJD-GDBMZVCRSA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCC(C)CC2)CC[C@H]1[NH3+] ZINC000647938896 395780190 /nfs/dbraw/zinc/78/01/90/395780190.db2.gz WQYXOCMCZCSAKO-FSXGRMEGSA-N 2 1 295.471 2.129 20 0 CEADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCC(C)CC2)CC[C@H]1[NH3+] ZINC000647938896 395780191 /nfs/dbraw/zinc/78/01/91/395780191.db2.gz WQYXOCMCZCSAKO-FSXGRMEGSA-N 2 1 295.471 2.129 20 0 CEADMP NCC[N@H+](CCCC1CC[NH2+]CC1)CCc1ccccc1 ZINC000647961774 395787077 /nfs/dbraw/zinc/78/70/77/395787077.db2.gz IGZWVONXCNSULW-UHFFFAOYSA-N 2 1 289.467 2.270 20 0 CEADMP NCC[N@@H+](CCCC1CC[NH2+]CC1)CCc1ccccc1 ZINC000647961774 395787080 /nfs/dbraw/zinc/78/70/80/395787080.db2.gz IGZWVONXCNSULW-UHFFFAOYSA-N 2 1 289.467 2.270 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000647826851 395760648 /nfs/dbraw/zinc/76/06/48/395760648.db2.gz BOHPWVINSXYOOQ-XJKSGUPXSA-N 2 1 294.443 2.276 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000647829500 395760739 /nfs/dbraw/zinc/76/07/39/395760739.db2.gz QUXSQEYTLJOZPA-MCIONIFRSA-N 2 1 292.427 2.030 20 0 CEADMP C[C@@H]1CCC[C@H](CC[N@@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000647835860 395761970 /nfs/dbraw/zinc/76/19/70/395761970.db2.gz SAPNFSOTMWCFQP-HZPDHXFCSA-N 2 1 267.461 2.040 20 0 CEADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000647872266 395766237 /nfs/dbraw/zinc/76/62/37/395766237.db2.gz PSGXBIHHURJYFJ-LSDHHAIUSA-N 2 1 290.407 2.148 20 0 CEADMP COc1ccc(C[N@@H+](C[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000647873482 395766754 /nfs/dbraw/zinc/76/67/54/395766754.db2.gz OSVJTDWDWYSXHG-AWEZNQCLSA-N 2 1 260.381 2.269 20 0 CEADMP C[N@@H+](CCOc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000647873389 395766982 /nfs/dbraw/zinc/76/69/82/395766982.db2.gz DCIJEGNZFIMEDL-LBPRGKRZSA-N 2 1 268.788 2.260 20 0 CEADMP Cc1nc([C@H]2CCCC[N@@H+]2CCC2CC[NH2+]CC2)no1 ZINC000647882082 395768159 /nfs/dbraw/zinc/76/81/59/395768159.db2.gz IJNUSWAMSBLEDV-CQSZACIVSA-N 2 1 278.400 2.295 20 0 CEADMP Cc1nc([C@H]2CCCC[N@H+]2CCC2CC[NH2+]CC2)no1 ZINC000647882082 395768162 /nfs/dbraw/zinc/76/81/62/395768162.db2.gz IJNUSWAMSBLEDV-CQSZACIVSA-N 2 1 278.400 2.295 20 0 CEADMP Fc1ccc(C[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647885961 395769343 /nfs/dbraw/zinc/76/93/43/395769343.db2.gz VMFJZXHQFLVLMA-GJZGRUSLSA-N 2 1 262.372 2.300 20 0 CEADMP OCCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000647890086 395770138 /nfs/dbraw/zinc/77/01/38/395770138.db2.gz PATYXGLNZYXCND-MAUKXSAKSA-N 2 1 288.435 2.358 20 0 CEADMP Nc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647903711 395770703 /nfs/dbraw/zinc/77/07/03/395770703.db2.gz OPILRZQYIRDQHB-GDBMZVCRSA-N 2 1 259.397 2.233 20 0 CEADMP Cc1cccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1F ZINC000648072156 395825872 /nfs/dbraw/zinc/82/58/72/395825872.db2.gz PCYHTSVIRLBXJQ-UHFFFAOYSA-N 2 1 292.398 2.431 20 0 CEADMP Cc1cccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1F ZINC000648072156 395825873 /nfs/dbraw/zinc/82/58/73/395825873.db2.gz PCYHTSVIRLBXJQ-UHFFFAOYSA-N 2 1 292.398 2.431 20 0 CEADMP COCCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978605 395794169 /nfs/dbraw/zinc/79/41/69/395794169.db2.gz VNOOFNQAUPDFIT-GJZGRUSLSA-N 2 1 254.418 2.125 20 0 CEADMP CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCCC3CC[NH2+]CC3)[C@H]2C1 ZINC000647990912 395797356 /nfs/dbraw/zinc/79/73/56/395797356.db2.gz ULFZYGGWURVJLC-IKGGRYGDSA-N 2 1 296.455 2.035 20 0 CEADMP CC[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CCO1 ZINC000648447803 395910673 /nfs/dbraw/zinc/91/06/73/395910673.db2.gz DKDNBBWKFFJOMR-CVEARBPZSA-N 2 1 296.455 2.179 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000649413908 396147302 /nfs/dbraw/zinc/14/73/02/396147302.db2.gz RMVWWBZNYKCMNO-NVXWUHKLSA-N 3 1 281.488 2.428 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000649413908 396147304 /nfs/dbraw/zinc/14/73/04/396147304.db2.gz RMVWWBZNYKCMNO-NVXWUHKLSA-N 3 1 281.488 2.428 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000649413908 396147307 /nfs/dbraw/zinc/14/73/07/396147307.db2.gz RMVWWBZNYKCMNO-NVXWUHKLSA-N 3 1 281.488 2.428 20 0 CEADMP CCN1CC[C@@H]([N@H+](C)CCCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000649413908 396147308 /nfs/dbraw/zinc/14/73/08/396147308.db2.gz RMVWWBZNYKCMNO-NVXWUHKLSA-N 2 1 281.488 2.428 20 0 CEADMP CCN1CC[C@@H]([N@@H+](C)CCCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000649413908 396147311 /nfs/dbraw/zinc/14/73/11/396147311.db2.gz RMVWWBZNYKCMNO-NVXWUHKLSA-N 2 1 281.488 2.428 20 0 CEADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000649414311 396148180 /nfs/dbraw/zinc/14/81/80/396148180.db2.gz SHTVIVLBUODNCK-HOCLYGCPSA-N 2 1 276.428 2.255 20 0 CEADMP C[C@H](c1ccncc1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000649418495 396149432 /nfs/dbraw/zinc/14/94/32/396149432.db2.gz FRSJKBDLLAZCFL-VNQPRFMTSA-N 2 1 259.397 2.464 20 0 CEADMP CC[C@@H](OCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000649491627 396168839 /nfs/dbraw/zinc/16/88/39/396168839.db2.gz WPRWCAPYSMEGGV-IXDOHACOSA-N 2 1 274.408 2.306 20 0 CEADMP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1(CO)CC=CC1 ZINC000646084288 396287948 /nfs/dbraw/zinc/28/79/48/396287948.db2.gz FBHBUPKODQSQOC-HOTGVXAUSA-N 2 1 280.456 2.414 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC000646106430 396294820 /nfs/dbraw/zinc/29/48/20/396294820.db2.gz YFXJVVLHNXEDJP-UHFFFAOYSA-N 2 1 266.410 2.045 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnn2CC(C)C)C1 ZINC000647174727 396429723 /nfs/dbraw/zinc/42/97/23/396429723.db2.gz KVRIGAKKGGGHTD-HNNXBMFYSA-N 2 1 278.444 2.361 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnn2CC(C)C)C1 ZINC000647174727 396429725 /nfs/dbraw/zinc/42/97/25/396429725.db2.gz KVRIGAKKGGGHTD-HNNXBMFYSA-N 2 1 278.444 2.361 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000050247779 400238329 /nfs/dbraw/zinc/23/83/29/400238329.db2.gz QCTHGWDQGBAOOP-LBPRGKRZSA-N 2 1 268.788 2.390 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000335640322 296584396 /nfs/dbraw/zinc/58/43/96/296584396.db2.gz YFUNUYQIUHTELO-UKRRQHHQSA-N 2 1 266.429 2.313 20 0 CEADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000386391124 400526323 /nfs/dbraw/zinc/52/63/23/400526323.db2.gz UBMOVLQBLJEJDN-TZMCWYRMSA-N 2 1 256.434 2.246 20 0 CEADMP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000386391124 400526328 /nfs/dbraw/zinc/52/63/28/400526328.db2.gz UBMOVLQBLJEJDN-TZMCWYRMSA-N 2 1 256.434 2.246 20 0 CEADMP Cc1cc(C)n(CC[N@@H+](CCC[NH3+])Cc2ccccc2)n1 ZINC000386859870 400528817 /nfs/dbraw/zinc/52/88/17/400528817.db2.gz JIDZVFUGHPCYFM-UHFFFAOYSA-N 2 1 286.423 2.351 20 0 CEADMP CC[N@@H+](CCN[C@H]1CC[NH+](CC)C[C@H]1C)C(C)C ZINC000156588107 289198565 /nfs/dbraw/zinc/19/85/65/289198565.db2.gz PTVXJEFMMAQIDV-CABCVRRESA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+](CCN[C@H]1CC[N@H+](CC)C[C@H]1C)C(C)C ZINC000156588107 289198568 /nfs/dbraw/zinc/19/85/68/289198568.db2.gz PTVXJEFMMAQIDV-CABCVRRESA-N 2 1 255.450 2.037 20 0 CEADMP CC[NH+](CCN[C@H]1CC[N@@H+](CC)C[C@H]1C)C(C)C ZINC000156588107 289198570 /nfs/dbraw/zinc/19/85/70/289198570.db2.gz PTVXJEFMMAQIDV-CABCVRRESA-N 2 1 255.450 2.037 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2cccc3c2OCO3)[C@H]1CC[NH3+] ZINC000650710933 401001715 /nfs/dbraw/zinc/00/17/15/401001715.db2.gz DCAYBPYEXYDKFQ-OCCSQVGLSA-N 2 1 276.380 2.365 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cncs2)C1 ZINC000650723951 401011096 /nfs/dbraw/zinc/01/10/96/401011096.db2.gz WDJKHNKPGNBLSH-BNOWGMLFSA-N 2 1 281.425 2.004 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000650740907 401015954 /nfs/dbraw/zinc/01/59/54/401015954.db2.gz UGECWSHQXBMQHQ-CABCVRRESA-N 2 1 255.450 2.214 20 0 CEADMP c1ccc([C@H]2C[C@H]([NH2+]CCC3CC[NH2+]CC3)CC[NH2+]2)cc1 ZINC000650762051 401036447 /nfs/dbraw/zinc/03/64/47/401036447.db2.gz RJSXEWKEVJYJTE-QZTJIDSGSA-N 3 1 287.451 2.459 20 0 CEADMP CC[C@]1(C)CCC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000651686040 401372149 /nfs/dbraw/zinc/37/21/49/401372149.db2.gz NPRSOLMUUWBNBF-HZPDHXFCSA-N 2 1 268.445 2.392 20 0 CEADMP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000651709308 401375957 /nfs/dbraw/zinc/37/59/57/401375957.db2.gz RNOKAXLSIVXRSC-ZIAGYGMSSA-N 2 1 256.434 2.369 20 0 CEADMP OC[C@@H](CCF)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000652024654 401436241 /nfs/dbraw/zinc/43/62/41/401436241.db2.gz IQOKQPCYDAPFMZ-QGZVFWFLSA-N 2 1 294.414 2.004 20 0 CEADMP CC[N@@H+](CCCNC(=O)N[C@H](C)[C@H](C)[NH3+])C1CCCCC1 ZINC000652220664 401465906 /nfs/dbraw/zinc/46/59/06/401465906.db2.gz GNOJZAMONIKZPR-UONOGXRCSA-N 2 1 298.475 2.066 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000652222393 401467115 /nfs/dbraw/zinc/46/71/15/401467115.db2.gz NHNBYLMEMJETTK-MRXNPFEDSA-N 2 1 280.460 2.475 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000248816049 286064094 /nfs/dbraw/zinc/06/40/94/286064094.db2.gz ALPDIYHXNQPSEX-LUKYLMHMSA-N 2 1 298.471 2.138 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000652345935 401490876 /nfs/dbraw/zinc/49/08/76/401490876.db2.gz PNZQDJYDHBQIBQ-RCCFBDPRSA-N 2 1 288.435 2.447 20 0 CEADMP CC(C)CCOCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347813 401490992 /nfs/dbraw/zinc/49/09/92/401490992.db2.gz MTHGLSDDVSLHQT-GVDBMIGSSA-N 2 1 298.471 2.267 20 0 CEADMP C[C@H](c1ccncc1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349447 401491636 /nfs/dbraw/zinc/49/16/36/401491636.db2.gz OXUJQDVZFSVHSN-XLNGHYISSA-N 2 1 289.423 2.361 20 0 CEADMP CCO[C@@H]1C[N@@H+](CCCOc2ccccc2C)C[C@H]1C[NH3+] ZINC000652357048 401492748 /nfs/dbraw/zinc/49/27/48/401492748.db2.gz YWYFUQQGHRBRGH-NVXWUHKLSA-N 2 1 292.423 2.060 20 0 CEADMP Cc1nccn1CCC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355706 401492977 /nfs/dbraw/zinc/49/29/77/401492977.db2.gz DWKSLYTVDBMQNI-HIFRSBDPSA-N 2 1 264.417 2.031 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355706 401492979 /nfs/dbraw/zinc/49/29/79/401492979.db2.gz DWKSLYTVDBMQNI-HIFRSBDPSA-N 3 1 264.417 2.031 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355706 401492982 /nfs/dbraw/zinc/49/29/82/401492982.db2.gz DWKSLYTVDBMQNI-HIFRSBDPSA-N 3 1 264.417 2.031 20 0 CEADMP CCc1noc(C)c1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355381 401493494 /nfs/dbraw/zinc/49/34/94/401493494.db2.gz WVDUDMRNDFHTDR-ABAIWWIYSA-N 2 1 265.401 2.495 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652360401 401493894 /nfs/dbraw/zinc/49/38/94/401493894.db2.gz GRMTZRGQOHUSMP-NUEKZKHPSA-N 2 1 293.411 2.152 20 0 CEADMP CC[C@H](C(=O)NCC[N@H+]1CCCC[C@@H]1CC)[NH+](CC)CC ZINC000360219633 155245823 /nfs/dbraw/zinc/24/58/23/155245823.db2.gz VSSYYHKCCWRQEK-JKSUJKDBSA-N 2 1 297.487 2.488 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1cc(C)sc1C ZINC000310779605 289279246 /nfs/dbraw/zinc/27/92/46/289279246.db2.gz RGSNNTXWPHLKFR-AAEUAGOBSA-N 2 1 270.442 2.328 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3ccncc3)CC[C@H]21 ZINC000360437833 155297740 /nfs/dbraw/zinc/29/77/40/155297740.db2.gz OIWLRZWTYVYJCC-IAGOWNOFSA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3ccncc3)CC[C@H]21 ZINC000360437833 155297743 /nfs/dbraw/zinc/29/77/43/155297743.db2.gz OIWLRZWTYVYJCC-IAGOWNOFSA-N 2 1 273.424 2.430 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3ccncc3)CC[C@H]21 ZINC000360437833 155297747 /nfs/dbraw/zinc/29/77/47/155297747.db2.gz OIWLRZWTYVYJCC-IAGOWNOFSA-N 2 1 273.424 2.430 20 0 CEADMP CCCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188280668 153049568 /nfs/dbraw/zinc/04/95/68/153049568.db2.gz OTTZEXRSZVMNBC-QGZVFWFLSA-N 2 1 276.424 2.355 20 0 CEADMP CCCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188280668 153049572 /nfs/dbraw/zinc/04/95/72/153049572.db2.gz OTTZEXRSZVMNBC-QGZVFWFLSA-N 2 1 276.424 2.355 20 0 CEADMP CCCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188280668 153049576 /nfs/dbraw/zinc/04/95/76/153049576.db2.gz OTTZEXRSZVMNBC-QGZVFWFLSA-N 2 1 276.424 2.355 20 0 CEADMP CCCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188280668 153049579 /nfs/dbraw/zinc/04/95/79/153049579.db2.gz OTTZEXRSZVMNBC-QGZVFWFLSA-N 2 1 276.424 2.355 20 0 CEADMP CCN(C)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cn1 ZINC000190714966 153143592 /nfs/dbraw/zinc/14/35/92/153143592.db2.gz WBHVMYCKTIRDDP-UHFFFAOYSA-N 2 1 288.439 2.254 20 0 CEADMP COC(=O)[C@H](C)[N@H+](CCCCn1cc[nH+]c1C)C1CCC1 ZINC000192382247 153208458 /nfs/dbraw/zinc/20/84/58/153208458.db2.gz IWHPTYUNCBSIKV-ZDUSSCGKSA-N 2 1 293.411 2.388 20 0 CEADMP COC(=O)[C@H](C)[N@@H+](CCCCn1cc[nH+]c1C)C1CCC1 ZINC000192382247 153208462 /nfs/dbraw/zinc/20/84/62/153208462.db2.gz IWHPTYUNCBSIKV-ZDUSSCGKSA-N 2 1 293.411 2.388 20 0 CEADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1nccs1 ZINC000230679506 153397991 /nfs/dbraw/zinc/39/79/91/153397991.db2.gz NHJKCTZAINOUOJ-FRRDWIJNSA-N 2 1 265.426 2.463 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C12CCC2 ZINC000344026002 286388066 /nfs/dbraw/zinc/38/80/66/286388066.db2.gz SQIATXCFVGIUCN-SOUVJXGZSA-N 2 1 266.429 2.264 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000347086033 154302064 /nfs/dbraw/zinc/30/20/64/154302064.db2.gz BKCQOWNCWIDUEL-LBPRGKRZSA-N 2 1 270.323 2.459 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)s1 ZINC000352751376 154329760 /nfs/dbraw/zinc/32/97/60/154329760.db2.gz UPIAXMROYCIYLW-YUTCNCBUSA-N 2 1 295.452 2.108 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000354868519 154356897 /nfs/dbraw/zinc/35/68/97/154356897.db2.gz DMBMODGXGBQTNZ-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP COc1ccc2oc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000357073651 154371310 /nfs/dbraw/zinc/37/13/10/154371310.db2.gz HZOIRTVOQPFWCJ-OCCSQVGLSA-N 2 1 286.375 2.483 20 0 CEADMP COc1ccc2oc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000357073651 154371313 /nfs/dbraw/zinc/37/13/13/154371313.db2.gz HZOIRTVOQPFWCJ-OCCSQVGLSA-N 2 1 286.375 2.483 20 0 CEADMP CC[N@@H+](CCOCC[NH3+])[C@H](C)c1cccc(OC)c1 ZINC000357072194 154372023 /nfs/dbraw/zinc/37/20/23/154372023.db2.gz DGYNUALGHHJMAL-CYBMUJFWSA-N 2 1 266.385 2.053 20 0 CEADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])CC[C@@H]1c1ccccc1 ZINC000357078644 154374460 /nfs/dbraw/zinc/37/44/60/154374460.db2.gz LQYTVPWIASCYDC-ZBFHGGJFSA-N 2 1 262.397 2.087 20 0 CEADMP CCOc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000357072404 154374667 /nfs/dbraw/zinc/37/46/67/154374667.db2.gz HGUIIUAXAPKPCA-CABCVRRESA-N 2 1 290.407 2.135 20 0 CEADMP CCOc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000357072404 154374673 /nfs/dbraw/zinc/37/46/73/154374673.db2.gz HGUIIUAXAPKPCA-CABCVRRESA-N 2 1 290.407 2.135 20 0 CEADMP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000359412448 155007467 /nfs/dbraw/zinc/00/74/67/155007467.db2.gz DYMPJZGOGCUBCR-HUUCEWRRSA-N 2 1 292.423 2.032 20 0 CEADMP CCc1ccc([C@@H](CO)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000359538122 155049659 /nfs/dbraw/zinc/04/96/59/155049659.db2.gz MDOSBVKTEOAHLH-QGZVFWFLSA-N 2 1 287.407 2.467 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](c1ccccc1)[NH+](C)C ZINC000359582304 155065972 /nfs/dbraw/zinc/06/59/72/155065972.db2.gz DPMNQIVFXYRIMS-HYVNUMGLSA-N 2 1 275.440 2.219 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000359582304 155065975 /nfs/dbraw/zinc/06/59/75/155065975.db2.gz DPMNQIVFXYRIMS-HYVNUMGLSA-N 2 1 275.440 2.219 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000359582304 155065981 /nfs/dbraw/zinc/06/59/81/155065981.db2.gz DPMNQIVFXYRIMS-HYVNUMGLSA-N 2 1 275.440 2.219 20 0 CEADMP COC1(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CCCC1 ZINC000359714861 155120432 /nfs/dbraw/zinc/12/04/32/155120432.db2.gz DJRWNUOBWNGFSC-CYBMUJFWSA-N 2 1 265.401 2.376 20 0 CEADMP CCSCC[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000366905077 156101661 /nfs/dbraw/zinc/10/16/61/156101661.db2.gz BDXBNZYBFHXCIA-AWEZNQCLSA-N 2 1 256.459 2.403 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)no1 ZINC000368125183 156294003 /nfs/dbraw/zinc/29/40/03/156294003.db2.gz KSONPIMIKLHVRV-NEPJUHHUSA-N 2 1 260.341 2.093 20 0 CEADMP CO[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)CC1 ZINC000374681515 157001463 /nfs/dbraw/zinc/00/14/63/157001463.db2.gz VQNBDFBRHNXKBS-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP CO[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)CC1 ZINC000374681515 157001465 /nfs/dbraw/zinc/00/14/65/157001465.db2.gz VQNBDFBRHNXKBS-OAHLLOKOSA-N 2 1 265.401 2.473 20 0 CEADMP C[C@@H](c1cnccn1)N1CCC(c2c[nH]cn2)CC1 ZINC000375112143 157052702 /nfs/dbraw/zinc/05/27/02/157052702.db2.gz DSVHXEZAAMOJTJ-NSHDSACASA-N 2 1 257.341 2.140 20 0 CEADMP CC(C)=CC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375891339 157158538 /nfs/dbraw/zinc/15/85/38/157158538.db2.gz QGKIBYRNIBBLGW-MRXNPFEDSA-N 2 1 265.445 2.053 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(CO)cc2)CC1 ZINC000375946242 157166815 /nfs/dbraw/zinc/16/68/15/157166815.db2.gz ILTUEWTUBRSVLR-INIZCTEOSA-N 2 1 262.397 2.095 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCC[NH+](C)C1 ZINC000531616778 298112937 /nfs/dbraw/zinc/11/29/37/298112937.db2.gz UKQPANVRYJRURS-HOTGVXAUSA-N 2 1 267.461 2.134 20 0 CEADMP CN(CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCC[N@H+](C)C1 ZINC000531616778 298112938 /nfs/dbraw/zinc/11/29/38/298112938.db2.gz UKQPANVRYJRURS-HOTGVXAUSA-N 2 1 267.461 2.134 20 0 CEADMP CN(CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCC[N@@H+](C)C1 ZINC000531616778 298112940 /nfs/dbraw/zinc/11/29/40/298112940.db2.gz UKQPANVRYJRURS-HOTGVXAUSA-N 2 1 267.461 2.134 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000186735532 286835766 /nfs/dbraw/zinc/83/57/66/286835766.db2.gz LEXLYFZFKQPUPR-SOUVJXGZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000165120515 162340511 /nfs/dbraw/zinc/34/05/11/162340511.db2.gz UYRXDPHUYGRGLP-OWCLPIDISA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCOC1 ZINC000224265720 287014780 /nfs/dbraw/zinc/01/47/80/287014780.db2.gz SHUODCFBZVMZSF-MLQJFRMTSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCOC1 ZINC000224265720 287014781 /nfs/dbraw/zinc/01/47/81/287014781.db2.gz SHUODCFBZVMZSF-MLQJFRMTSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCOC1 ZINC000153696506 287059960 /nfs/dbraw/zinc/05/99/60/287059960.db2.gz OPOZQKWCIUMCME-HZSPNIEDSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCOC1 ZINC000153696506 287059961 /nfs/dbraw/zinc/05/99/61/287059961.db2.gz OPOZQKWCIUMCME-HZSPNIEDSA-N 2 1 252.402 2.018 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@H+](CC3CCCC3)C2)CC1 ZINC000174875317 165119156 /nfs/dbraw/zinc/11/91/56/165119156.db2.gz CALVCCBHIHEGAE-KRWDZBQOSA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC3CCCC3)C2)CC1 ZINC000174875317 165119158 /nfs/dbraw/zinc/11/91/58/165119158.db2.gz CALVCCBHIHEGAE-KRWDZBQOSA-N 2 1 279.472 2.279 20 0 CEADMP CC[C@H](C)C[N@@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000177857756 165211921 /nfs/dbraw/zinc/21/19/21/165211921.db2.gz MJEYUYYQUCFZIF-HNNXBMFYSA-N 2 1 297.487 2.343 20 0 CEADMP Cc1[nH+]ccn1CCCN(C)Cc1nccs1 ZINC000179252802 165274471 /nfs/dbraw/zinc/27/44/71/165274471.db2.gz DXIRJYNZRWHDIH-UHFFFAOYSA-N 2 1 250.371 2.170 20 0 CEADMP C[C@H]([NH2+]Cc1cncn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183103044 165382719 /nfs/dbraw/zinc/38/27/19/165382719.db2.gz LXLQKWYLLZFBEZ-KBPBESRZSA-N 2 1 276.428 2.163 20 0 CEADMP C[C@H]([NH2+]Cc1cncn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183103044 165382722 /nfs/dbraw/zinc/38/27/22/165382722.db2.gz LXLQKWYLLZFBEZ-KBPBESRZSA-N 2 1 276.428 2.163 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000252118426 287268093 /nfs/dbraw/zinc/26/80/93/287268093.db2.gz IZBPSZULXLMYPY-OWCLPIDISA-N 2 1 267.461 2.358 20 0 CEADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000252118426 287268097 /nfs/dbraw/zinc/26/80/97/287268097.db2.gz IZBPSZULXLMYPY-OWCLPIDISA-N 3 1 267.461 2.358 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000252118426 287268100 /nfs/dbraw/zinc/26/81/00/287268100.db2.gz IZBPSZULXLMYPY-OWCLPIDISA-N 3 1 267.461 2.358 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@H]1CCCOC1 ZINC000252208873 287268295 /nfs/dbraw/zinc/26/82/95/287268295.db2.gz VULLJBHXCVFERV-HUUCEWRRSA-N 2 1 254.418 2.267 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000040600351 174350941 /nfs/dbraw/zinc/35/09/41/174350941.db2.gz SAUGYNCQEWIARP-ZDUSSCGKSA-N 2 1 293.386 2.086 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@H](CC)CO1 ZINC000403773241 414767631 /nfs/dbraw/zinc/76/76/31/414767631.db2.gz DIDOEXOCKSKLBA-HUUCEWRRSA-N 2 1 254.418 2.266 20 0 CEADMP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404270592 414778524 /nfs/dbraw/zinc/77/85/24/414778524.db2.gz KIJRKPZILSLZJJ-CABCVRRESA-N 2 1 283.460 2.084 20 0 CEADMP CCCN(CCC)C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404270592 414778528 /nfs/dbraw/zinc/77/85/28/414778528.db2.gz KIJRKPZILSLZJJ-CABCVRRESA-N 2 1 283.460 2.084 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)CC[C@@H]1[NH3+] ZINC000122248703 414789546 /nfs/dbraw/zinc/78/95/46/414789546.db2.gz JPVGLGYNMWAHPZ-KBPBESRZSA-N 2 1 276.380 2.017 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)CC[C@@H]1[NH3+] ZINC000122248703 414789550 /nfs/dbraw/zinc/78/95/50/414789550.db2.gz JPVGLGYNMWAHPZ-KBPBESRZSA-N 2 1 276.380 2.017 20 0 CEADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCC[NH3+] ZINC000404309743 414779545 /nfs/dbraw/zinc/77/95/45/414779545.db2.gz VJZXDYROPBTBOX-XHSDSOJGSA-N 2 1 275.440 2.319 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404341060 414780301 /nfs/dbraw/zinc/78/03/01/414780301.db2.gz DUXQEJLTZGTTRG-BZUAXINKSA-N 2 1 295.471 2.227 20 0 CEADMP Cc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404365953 414782038 /nfs/dbraw/zinc/78/20/38/414782038.db2.gz HHRWWZCPKXMIOS-HOCLYGCPSA-N 2 1 289.423 2.383 20 0 CEADMP Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404365953 414782040 /nfs/dbraw/zinc/78/20/40/414782040.db2.gz HHRWWZCPKXMIOS-HOCLYGCPSA-N 2 1 289.423 2.383 20 0 CEADMP C[N@H+](Cc1ccc(Br)cc1)C[C@@H]1CC[NH2+]C1 ZINC000051890065 414748059 /nfs/dbraw/zinc/74/80/59/414748059.db2.gz XUUPXMYZRDLPCY-GFCCVEGCSA-N 2 1 283.213 2.490 20 0 CEADMP CCO[C@@H]1C[N@H+]([C@H](C)c2cccc(C)c2)C[C@H]1C[NH3+] ZINC000405553183 414795951 /nfs/dbraw/zinc/79/59/51/414795951.db2.gz ZUINTFONQWSBFF-FVQBIDKESA-N 2 1 262.397 2.352 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cn3cccc(F)c3n2)C1 ZINC000657182614 414798334 /nfs/dbraw/zinc/79/83/34/414798334.db2.gz BUJLBNKYMWBZCZ-CYBMUJFWSA-N 2 1 290.386 2.295 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1F ZINC000312630470 414864920 /nfs/dbraw/zinc/86/49/20/414864920.db2.gz BYFCRSVJOKCWIS-BETUJISGSA-N 2 1 278.371 2.266 20 0 CEADMP Cc1nc2ccccc2n1CCNCc1cc2n(n1)CCC2 ZINC000657295858 414840172 /nfs/dbraw/zinc/84/01/72/414840172.db2.gz LQLDLGLHJUAOCI-UHFFFAOYSA-N 2 1 295.390 2.277 20 0 CEADMP CCc1nn(C)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346589 414924531 /nfs/dbraw/zinc/92/45/31/414924531.db2.gz WBLZHEFVPFOEFQ-OAHLLOKOSA-N 2 1 290.455 2.194 20 0 CEADMP CCc1nn(C)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346589 414924535 /nfs/dbraw/zinc/92/45/35/414924535.db2.gz WBLZHEFVPFOEFQ-OAHLLOKOSA-N 2 1 290.455 2.194 20 0 CEADMP CC[C@@H]1CCC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000657346785 414873812 /nfs/dbraw/zinc/87/38/12/414873812.db2.gz OEACLYBACBVUDR-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)n1ccnc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000657491893 414971602 /nfs/dbraw/zinc/97/16/02/414971602.db2.gz MLIDCAQUZZGBSF-CQSZACIVSA-N 2 1 264.417 2.286 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1ccc2c(c1)CCO2 ZINC000653279989 414974092 /nfs/dbraw/zinc/97/40/92/414974092.db2.gz RXKDSGBVLMFDOB-CJNGLKHVSA-N 2 1 274.408 2.366 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000663512131 414979162 /nfs/dbraw/zinc/97/91/62/414979162.db2.gz FMIWFPXBCNHWNQ-STQMWFEESA-N 2 1 250.386 2.214 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000657526258 414989843 /nfs/dbraw/zinc/98/98/43/414989843.db2.gz FEBOYGFGHJXQQG-RBSFLKMASA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657526258 414989847 /nfs/dbraw/zinc/98/98/47/414989847.db2.gz FEBOYGFGHJXQQG-RBSFLKMASA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[NH+]1CC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657526258 414989851 /nfs/dbraw/zinc/98/98/51/414989851.db2.gz FEBOYGFGHJXQQG-RBSFLKMASA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)N1CC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657526258 414989856 /nfs/dbraw/zinc/98/98/56/414989856.db2.gz FEBOYGFGHJXQQG-RBSFLKMASA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)N1CC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657526258 414989860 /nfs/dbraw/zinc/98/98/60/414989860.db2.gz FEBOYGFGHJXQQG-RBSFLKMASA-N 2 1 265.445 2.076 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnn(C)c1 ZINC000663467520 414963515 /nfs/dbraw/zinc/96/35/15/414963515.db2.gz GMKWAKVNEJSYTN-HIFRSBDPSA-N 2 1 276.428 2.193 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnn(C)c1 ZINC000663467520 414963519 /nfs/dbraw/zinc/96/35/19/414963519.db2.gz GMKWAKVNEJSYTN-HIFRSBDPSA-N 2 1 276.428 2.193 20 0 CEADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471798 414965588 /nfs/dbraw/zinc/96/55/88/414965588.db2.gz YHXIXEHATXMDEH-UMVBOHGHSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000657486779 414966435 /nfs/dbraw/zinc/96/64/35/414966435.db2.gz AWKNBAFAHMAEID-UHFFFAOYSA-N 3 1 299.422 2.231 20 0 CEADMP C[N@H+](CCCC[NH2+]Cc1ccnn1-c1ccncc1)C1CC1 ZINC000657486779 414966440 /nfs/dbraw/zinc/96/64/40/414966440.db2.gz AWKNBAFAHMAEID-UHFFFAOYSA-N 2 1 299.422 2.231 20 0 CEADMP C[N@@H+](CCCC[NH2+]Cc1ccnn1-c1ccncc1)C1CC1 ZINC000657486779 414966447 /nfs/dbraw/zinc/96/64/47/414966447.db2.gz AWKNBAFAHMAEID-UHFFFAOYSA-N 2 1 299.422 2.231 20 0 CEADMP CC(C)[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[N@H+]1C ZINC000663840897 415066114 /nfs/dbraw/zinc/06/61/14/415066114.db2.gz GKBOYUMTSZOIHZ-AWEZNQCLSA-N 2 1 258.369 2.339 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+]CCC[N@@H+](C)C(C)C ZINC000657830622 415096959 /nfs/dbraw/zinc/09/69/59/415096959.db2.gz LSPMHPIDXMJCSG-INIZCTEOSA-N 2 1 286.460 2.138 20 0 CEADMP C[N@H+]1CCC[C@]2(CCN(c3[nH+]ccc4[nH]ccc43)C2)C1 ZINC000663938528 415094540 /nfs/dbraw/zinc/09/45/40/415094540.db2.gz DKUDNPYZNWNQDS-INIZCTEOSA-N 2 1 270.380 2.485 20 0 CEADMP CC[C@H](C)[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)CC)C1CC1 ZINC000653547332 415028660 /nfs/dbraw/zinc/02/86/60/415028660.db2.gz HRUNHXDSMPYCEI-YDHLFZDLSA-N 2 1 256.434 2.198 20 0 CEADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)CC)C1CC1 ZINC000653547332 415028662 /nfs/dbraw/zinc/02/86/62/415028662.db2.gz HRUNHXDSMPYCEI-YDHLFZDLSA-N 2 1 256.434 2.198 20 0 CEADMP CC[C@H](C)[C@H](C)[NH+](C[C@@H](O)C[N@H+](C)CC)C1CC1 ZINC000653547332 415028667 /nfs/dbraw/zinc/02/86/67/415028667.db2.gz HRUNHXDSMPYCEI-YDHLFZDLSA-N 2 1 256.434 2.198 20 0 CEADMP CC[C@H](C)[C@H](C)[NH+](C[C@@H](O)C[N@@H+](C)CC)C1CC1 ZINC000653547332 415028670 /nfs/dbraw/zinc/02/86/70/415028670.db2.gz HRUNHXDSMPYCEI-YDHLFZDLSA-N 2 1 256.434 2.198 20 0 CEADMP COC1CC(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000658062106 415180857 /nfs/dbraw/zinc/18/08/57/415180857.db2.gz XZJVSBUACRWSLS-NEADZQPHSA-N 2 1 266.429 2.264 20 0 CEADMP COC1([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000658035584 415168304 /nfs/dbraw/zinc/16/83/04/415168304.db2.gz OSXOIMHNWTWJTR-KGLIPLIRSA-N 2 1 254.418 2.266 20 0 CEADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000658095710 415207226 /nfs/dbraw/zinc/20/72/26/415207226.db2.gz KKQJLPWOWACMLC-UGUYLWEFSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000658095710 415207235 /nfs/dbraw/zinc/20/72/35/415207235.db2.gz KKQJLPWOWACMLC-UGUYLWEFSA-N 2 1 279.472 2.322 20 0 CEADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000658095710 415207239 /nfs/dbraw/zinc/20/72/39/415207239.db2.gz KKQJLPWOWACMLC-UGUYLWEFSA-N 2 1 279.472 2.322 20 0 CEADMP CC(C)(C)OCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658188682 415252848 /nfs/dbraw/zinc/25/28/48/415252848.db2.gz SUQDIHMQSJJAMT-MRXNPFEDSA-N 2 1 298.471 2.425 20 0 CEADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CCC[C@H]2C[C@H]21 ZINC000658209261 415257267 /nfs/dbraw/zinc/25/72/67/415257267.db2.gz ZIHJBCDPGJHRIP-XOSAIJSUSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C=C/CO ZINC000658132319 415223653 /nfs/dbraw/zinc/22/36/53/415223653.db2.gz GZUQDHCLWAMBBT-HEDFYIJFSA-N 2 1 274.408 2.035 20 0 CEADMP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000655493145 415302520 /nfs/dbraw/zinc/30/25/20/415302520.db2.gz CQMQOYGKMFPFKQ-HNNXBMFYSA-N 2 1 289.423 2.019 20 0 CEADMP CO[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000658313676 415311994 /nfs/dbraw/zinc/31/19/94/415311994.db2.gz FCNBWKWLHNNEBX-MRXNPFEDSA-N 2 1 266.429 2.408 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000658339584 415326735 /nfs/dbraw/zinc/32/67/35/415326735.db2.gz KXNLGMJWCAVWQO-FZCLSBEQSA-N 2 1 290.451 2.471 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C2CCCCC2)C1 ZINC000661577459 415335827 /nfs/dbraw/zinc/33/58/27/415335827.db2.gz BFMDAGLCGDENLN-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000661577459 415335831 /nfs/dbraw/zinc/33/58/31/415335831.db2.gz BFMDAGLCGDENLN-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000661577459 415335837 /nfs/dbraw/zinc/33/58/37/415335837.db2.gz BFMDAGLCGDENLN-HOTGVXAUSA-N 2 1 268.445 2.201 20 0 CEADMP Cc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655697887 415393315 /nfs/dbraw/zinc/39/33/15/415393315.db2.gz RRTAMUYDKQUOQM-QGZVFWFLSA-N 2 1 274.408 2.338 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCn2ccnc21 ZINC000655709133 415400538 /nfs/dbraw/zinc/40/05/38/415400538.db2.gz SEWCYVGFUBGYPR-OCCSQVGLSA-N 2 1 273.384 2.149 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](CCF)C2)CC1 ZINC000661691030 415402950 /nfs/dbraw/zinc/40/29/50/415402950.db2.gz QNSAZNBQORDSFB-KRWDZBQOSA-N 2 1 299.478 2.474 20 0 CEADMP CCC(CC)[C@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655711672 415404145 /nfs/dbraw/zinc/40/41/45/415404145.db2.gz KTFNMTANHXTCJH-IAGOWNOFSA-N 2 1 298.471 2.017 20 0 CEADMP CCC(CC)[C@@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655711676 415404462 /nfs/dbraw/zinc/40/44/62/415404462.db2.gz KTFNMTANHXTCJH-SJORKVTESA-N 2 1 298.471 2.017 20 0 CEADMP CCC(CC)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655713293 415406599 /nfs/dbraw/zinc/40/65/99/415406599.db2.gz XGIGUTMRPXOLPX-OAHLLOKOSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](O)CC(C)(C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655728773 415419041 /nfs/dbraw/zinc/41/90/41/415419041.db2.gz CLSYBSJNPSHIOQ-GOEBONIOSA-N 2 1 298.471 2.017 20 0 CEADMP Cc1cc(CO)cc(NCC2CC[NH+](CC3CC3)CC2)[nH+]1 ZINC000664647868 415441059 /nfs/dbraw/zinc/44/10/59/415441059.db2.gz WNORMCOAWHXHEK-UHFFFAOYSA-N 2 1 289.423 2.416 20 0 CEADMP CC(C)=CCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655760593 415442874 /nfs/dbraw/zinc/44/28/74/415442874.db2.gz VAJIFDRQSGQTBQ-HNNXBMFYSA-N 2 1 252.402 2.186 20 0 CEADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCCSC1 ZINC000655768622 415447027 /nfs/dbraw/zinc/44/70/27/415447027.db2.gz KMWUNBUGUPRQCT-HOCLYGCPSA-N 2 1 298.496 2.363 20 0 CEADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2C[C@H]2C2CCC2)CC1 ZINC000655778556 415459483 /nfs/dbraw/zinc/45/94/83/415459483.db2.gz PGUHFGBSCXOSKW-IXDOHACOSA-N 2 1 278.440 2.408 20 0 CEADMP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000655831689 415505173 /nfs/dbraw/zinc/50/51/73/415505173.db2.gz ITBBMCHINRXDJM-CYBMUJFWSA-N 2 1 259.397 2.229 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCCCO1 ZINC000655850650 415519292 /nfs/dbraw/zinc/51/92/92/415519292.db2.gz YGWZQEKSHPIHSO-APIJFGDWSA-N 2 1 254.418 2.406 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCCCO1 ZINC000655850650 415519304 /nfs/dbraw/zinc/51/93/04/415519304.db2.gz YGWZQEKSHPIHSO-APIJFGDWSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@](C[NH3+])([NH2+]CCc1noc2ccccc12)C1CC1 ZINC000655938514 415559989 /nfs/dbraw/zinc/55/99/89/415559989.db2.gz WSWHZHUWGFNECN-OAHLLOKOSA-N 2 1 259.353 2.087 20 0 CEADMP C(C[N@H+]1CCC[C@H](OC2CCC2)C1)C1CC[NH2+]CC1 ZINC000655946763 415560466 /nfs/dbraw/zinc/56/04/66/415560466.db2.gz NBCKINGDMMVWKY-INIZCTEOSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@H](OC3CCC3)C2)CC[NH2+]C1 ZINC000656193747 415628143 /nfs/dbraw/zinc/62/81/43/415628143.db2.gz RFRQGDUBWLSANY-CABCVRRESA-N 2 1 252.402 2.020 20 0 CEADMP CCC(C)(C)[NH+]1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000656193734 415628582 /nfs/dbraw/zinc/62/85/82/415628582.db2.gz QTRMOFDJEZMZJY-CABCVRRESA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000665238843 415641689 /nfs/dbraw/zinc/64/16/89/415641689.db2.gz FXADKQAABIITBK-SUMWQHHRSA-N 2 1 269.392 2.365 20 0 CEADMP CC1(C)[C@@H]([NH2+][C@H]2CC[NH2+]C2)C[C@@H]1OCc1ccccc1 ZINC000665242817 415644924 /nfs/dbraw/zinc/64/49/24/415644924.db2.gz LQYTXCYDQYZDHT-JYJNAYRXSA-N 2 1 274.408 2.322 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659452191 415580117 /nfs/dbraw/zinc/58/01/17/415580117.db2.gz NLOOTHKTKABCQX-AWEZNQCLSA-N 2 1 298.475 2.020 20 0 CEADMP O[C@@H]1CC[N@H+](C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000662150094 415657118 /nfs/dbraw/zinc/65/71/18/415657118.db2.gz TXJCQLBSYBZNPL-OAHLLOKOSA-N 2 1 294.826 2.371 20 0 CEADMP Cc1ccc(C)c(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662147391 415659011 /nfs/dbraw/zinc/65/90/11/415659011.db2.gz FPADLRUYPURDJV-SFHVURJKSA-N 2 1 288.435 2.334 20 0 CEADMP Cc1ccc(C)c(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662147391 415659023 /nfs/dbraw/zinc/65/90/23/415659023.db2.gz FPADLRUYPURDJV-SFHVURJKSA-N 2 1 288.435 2.334 20 0 CEADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1(C)C ZINC000665279187 415670844 /nfs/dbraw/zinc/67/08/44/415670844.db2.gz YUASNFRRQHBIJS-MYMJJRTCSA-N 2 1 266.429 2.168 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000665282934 415671634 /nfs/dbraw/zinc/67/16/34/415671634.db2.gz DZLJJSFYNLEDCT-PWSUYJOCSA-N 2 1 298.333 2.486 20 0 CEADMP C[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cnccc1N ZINC000665298854 415686686 /nfs/dbraw/zinc/68/66/86/415686686.db2.gz AZMGAFWADKFAPB-DZGCQCFKSA-N 3 1 288.439 2.267 20 0 CEADMP C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnccc1N ZINC000665298854 415686691 /nfs/dbraw/zinc/68/66/91/415686691.db2.gz AZMGAFWADKFAPB-DZGCQCFKSA-N 3 1 288.439 2.267 20 0 CEADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H](CC(F)(F)F)O1 ZINC000662231722 415697178 /nfs/dbraw/zinc/69/71/78/415697178.db2.gz RKSQGIQCLKFYFB-PWSUYJOCSA-N 2 1 280.334 2.028 20 0 CEADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256869 415725225 /nfs/dbraw/zinc/72/52/25/415725225.db2.gz LYYBFDJYYVXITF-IRXDYDNUSA-N 2 1 288.435 2.461 20 0 CEADMP c1cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000662258558 415727514 /nfs/dbraw/zinc/72/75/14/415727514.db2.gz JWOBOXHTQAVOBU-WMZOPIPTSA-N 2 1 286.419 2.333 20 0 CEADMP Cc1ccccc1[C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258715 415727739 /nfs/dbraw/zinc/72/77/39/415727739.db2.gz WXAIQCQHDDPXBO-JKSUJKDBSA-N 2 1 286.419 2.305 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000656482829 415732171 /nfs/dbraw/zinc/73/21/71/415732171.db2.gz NPEGQGXSBCCLRL-UHFFFAOYSA-N 2 1 270.380 2.255 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCc1ccc2c(c1)OC(F)(F)O2 ZINC000662266081 415732491 /nfs/dbraw/zinc/73/24/91/415732491.db2.gz WOPHVZYDJVGCGZ-CMPLNLGQSA-N 2 1 298.333 2.220 20 0 CEADMP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662265109 415733380 /nfs/dbraw/zinc/73/33/80/415733380.db2.gz WIVJNBWSQQTGDA-AAEUAGOBSA-N 2 1 295.452 2.274 20 0 CEADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662265114 415733435 /nfs/dbraw/zinc/73/34/35/415733435.db2.gz WIVJNBWSQQTGDA-DGCLKSJQSA-N 2 1 295.452 2.274 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CCO1 ZINC000662267165 415733449 /nfs/dbraw/zinc/73/34/49/415733449.db2.gz SSVOKDZKFLOZLD-DJIMGWMZSA-N 2 1 274.408 2.230 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CCO1 ZINC000662267165 415733452 /nfs/dbraw/zinc/73/34/52/415733452.db2.gz SSVOKDZKFLOZLD-DJIMGWMZSA-N 2 1 274.408 2.230 20 0 CEADMP c1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662243423 415705145 /nfs/dbraw/zinc/70/51/45/415705145.db2.gz AQLNGIJIJXLWHV-UHFFFAOYSA-N 3 1 299.462 2.296 20 0 CEADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250414 415711238 /nfs/dbraw/zinc/71/12/38/415711238.db2.gz HKYYPOLBLZYCEC-KBPBESRZSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249723 415711330 /nfs/dbraw/zinc/71/13/30/415711330.db2.gz YREJWCKLQRDEPP-SWLSCSKDSA-N 2 1 278.371 2.340 20 0 CEADMP C[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249864 415712932 /nfs/dbraw/zinc/71/29/32/415712932.db2.gz SSLOTJJNMJMSPJ-CQSZACIVSA-N 2 1 280.799 2.293 20 0 CEADMP CCc1nocc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662273237 415740803 /nfs/dbraw/zinc/74/08/03/415740803.db2.gz KSARYJBHAQMGHK-KBPBESRZSA-N 2 1 277.412 2.449 20 0 CEADMP [NH3+]CCC[N@@H+](CCO[C@H]1CC1(F)F)Cc1ccccc1 ZINC000662270623 415736912 /nfs/dbraw/zinc/73/69/12/415736912.db2.gz BDVZXIXGAPCMFH-AWEZNQCLSA-N 2 1 284.350 2.262 20 0 CEADMP c1c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)onc1C1CC1 ZINC000662274088 415738245 /nfs/dbraw/zinc/73/82/45/415738245.db2.gz RAMSSQXFSMRUEK-KGLIPLIRSA-N 2 1 275.396 2.374 20 0 CEADMP CCc1noc([C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662299017 415762951 /nfs/dbraw/zinc/76/29/51/415762951.db2.gz ZHBBGFQQVQYKDE-GXTWGEPZSA-N 2 1 292.427 2.405 20 0 CEADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccnn1C ZINC000656567819 415771396 /nfs/dbraw/zinc/77/13/96/415771396.db2.gz LMJJHUDNAGAFSK-INIZCTEOSA-N 2 1 290.455 2.376 20 0 CEADMP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662313569 415774746 /nfs/dbraw/zinc/77/47/46/415774746.db2.gz MCZXTMPWWBKACY-MGPQQGTHSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662314296 415774996 /nfs/dbraw/zinc/77/49/96/415774996.db2.gz PHTQNLVNYCLUHS-CZUORRHYSA-N 2 1 278.444 2.339 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1 ZINC000662317629 415777258 /nfs/dbraw/zinc/77/72/58/415777258.db2.gz YEZCNYBQVYWBFQ-YCPHGPKFSA-N 2 1 292.423 2.237 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCc2ccccc21 ZINC000662282934 415750296 /nfs/dbraw/zinc/75/02/96/415750296.db2.gz DSUQUDVZMVYEAT-GOEBONIOSA-N 2 1 286.419 2.169 20 0 CEADMP C[C@H]1CN(C[C@H]2C[NH2+]CCO2)CCc2ccc(Cl)cc21 ZINC000662283596 415753096 /nfs/dbraw/zinc/75/30/96/415753096.db2.gz BENLKCMDPSGPST-SWLSCSKDSA-N 2 1 294.826 2.290 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC2CC=CC2)C1 ZINC000662284133 415753674 /nfs/dbraw/zinc/75/36/74/415753674.db2.gz LRZZKBKYPXLJOX-OAGGEKHMSA-N 2 1 264.413 2.313 20 0 CEADMP CC(C)n1ncnc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293403 415755657 /nfs/dbraw/zinc/75/56/57/415755657.db2.gz KRFKCYQXXLIASW-HNNXBMFYSA-N 2 1 291.443 2.071 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1)[C@@H]1CC[NH2+]C1 ZINC000662317640 415778142 /nfs/dbraw/zinc/77/81/42/415778142.db2.gz YLCFVAPEOKGDQT-HRCADAONSA-N 2 1 266.429 2.267 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2C=CCCC2)CCO1 ZINC000662318913 415779630 /nfs/dbraw/zinc/77/96/30/415779630.db2.gz AWPFMBWXJKFAGR-LSDHHAIUSA-N 2 1 252.402 2.138 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325423 415780408 /nfs/dbraw/zinc/78/04/08/415780408.db2.gz GFBKALFSIFPOBX-HZPDHXFCSA-N 2 1 286.460 2.090 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)[C@@H](C[NH3+])C(F)(F)F)c1C ZINC000662329410 415784401 /nfs/dbraw/zinc/78/44/01/415784401.db2.gz LNIPUDGLHOCUTQ-NSHDSACASA-N 2 1 291.317 2.028 20 0 CEADMP CC[C@@H]([NH2+]C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000662454006 415850522 /nfs/dbraw/zinc/85/05/22/415850522.db2.gz FAJCVPIHVXFGKF-UONOGXRCSA-N 2 1 283.460 2.001 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000659957902 415807681 /nfs/dbraw/zinc/80/76/81/415807681.db2.gz YVIHWGHUNJXDQB-IAGOWNOFSA-N 2 1 298.471 2.111 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000659957902 415807687 /nfs/dbraw/zinc/80/76/87/415807687.db2.gz YVIHWGHUNJXDQB-IAGOWNOFSA-N 2 1 298.471 2.111 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000660215974 415928709 /nfs/dbraw/zinc/92/87/09/415928709.db2.gz YKWWJOBNVPXFQX-ROUUACIJSA-N 2 1 290.451 2.298 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC1CC=CC1 ZINC000660118240 415889787 /nfs/dbraw/zinc/88/97/87/415889787.db2.gz SWTLFEHLTDZRSQ-OWCLPIDISA-N 2 1 264.413 2.136 20 0 CEADMP C[N@H+]1CC[C@@H]2CCN(Cc3cnc4ccccc4n3)[C@H]2C1 ZINC000660225359 415929328 /nfs/dbraw/zinc/92/93/28/415929328.db2.gz OUMOAJASBDUMRY-DYVFJYSZSA-N 2 1 282.391 2.156 20 0 CEADMP O=C(CC[C@@H]1CCC[NH2+]1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667967 415926735 /nfs/dbraw/zinc/92/67/35/415926735.db2.gz FKASAYYSFKQFBR-GJZGRUSLSA-N 2 1 293.455 2.042 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2ccnn2-c2ccccc2)CCCC1 ZINC000656789666 415863471 /nfs/dbraw/zinc/86/34/71/415863471.db2.gz VANSMNCHPGPKNU-UHFFFAOYSA-N 2 1 270.380 2.233 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)CC[NH2+]C1 ZINC000656791867 415864289 /nfs/dbraw/zinc/86/42/89/415864289.db2.gz LNKFOHLFJHTAQT-OAGGEKHMSA-N 2 1 266.429 2.267 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000566569504 299004984 /nfs/dbraw/zinc/00/49/84/299004984.db2.gz VIUOLKDKMROWSG-LSDHHAIUSA-N 2 1 282.428 2.278 20 0 CEADMP CCOC(=O)CCCCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000566569504 299004987 /nfs/dbraw/zinc/00/49/87/299004987.db2.gz VIUOLKDKMROWSG-LSDHHAIUSA-N 2 1 282.428 2.278 20 0 CEADMP CCOC(=O)CCCCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000566569504 299004989 /nfs/dbraw/zinc/00/49/89/299004989.db2.gz VIUOLKDKMROWSG-LSDHHAIUSA-N 2 1 282.428 2.278 20 0 CEADMP CCOC(=O)CCCCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000566569504 299004992 /nfs/dbraw/zinc/00/49/92/299004992.db2.gz VIUOLKDKMROWSG-LSDHHAIUSA-N 2 1 282.428 2.278 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)NC1C[NH+](C(C)C)C1 ZINC000457725123 289817951 /nfs/dbraw/zinc/81/79/51/289817951.db2.gz QGEGQBGJAIBHIR-UHFFFAOYSA-N 2 1 283.460 2.097 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000310783555 419476913 /nfs/dbraw/zinc/47/69/13/419476913.db2.gz FZNMHRFGFHIGKS-QPSCCSFWSA-N 2 1 256.434 2.102 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCc1ccc3c(c1)CCO3)C2 ZINC000314007893 419481906 /nfs/dbraw/zinc/48/19/06/419481906.db2.gz QIIWNCDOZHNKLA-WMZOPIPTSA-N 2 1 286.419 2.225 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC[C@@H]1[NH3+] ZINC000122232228 419425383 /nfs/dbraw/zinc/42/53/83/419425383.db2.gz OIXHHOVFGINOMZ-HIFRSBDPSA-N 2 1 260.381 2.181 20 0 CEADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CC34CC[NH2+]CC4)CC[NH2+]2)cc1 ZINC000666955368 419493001 /nfs/dbraw/zinc/49/30/01/419493001.db2.gz BVNQGIRUPVJSDR-YESZJQIVSA-N 3 1 285.435 2.211 20 0 CEADMP COc1ccccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998261 419507363 /nfs/dbraw/zinc/50/73/63/419507363.db2.gz KGECGBYPOBLCLI-CQSZACIVSA-N 2 1 260.381 2.460 20 0 CEADMP COCC[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CCCC1 ZINC000666624765 419752799 /nfs/dbraw/zinc/75/27/99/419752799.db2.gz LOZLUQKYDMSNLD-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]1C[C@@H](N(C)Cc2ccnn2-c2cc[nH+]cc2)CC[N@H+]1C ZINC000667667939 419764974 /nfs/dbraw/zinc/76/49/74/419764974.db2.gz ZEYVWVKTINTCNP-HOCLYGCPSA-N 2 1 299.422 2.182 20 0 CEADMP Cc1ccc2cc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)[nH]c2c1 ZINC000667712768 419778674 /nfs/dbraw/zinc/77/86/74/419778674.db2.gz PBADSLDSUZTSKF-KBPBESRZSA-N 2 1 255.365 2.128 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000226333075 270309901 /nfs/dbraw/zinc/30/99/01/270309901.db2.gz UDRRFYVMNQTBCW-UHFFFAOYSA-N 2 1 299.459 2.362 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428036133 261198324 /nfs/dbraw/zinc/19/83/24/261198324.db2.gz WOAWARDYFKWIKM-PBHICJAKSA-N 2 1 290.407 2.148 20 0 CEADMP Cc1ncsc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000391067177 262379321 /nfs/dbraw/zinc/37/93/21/262379321.db2.gz FFXWNSHSESSVAR-UHFFFAOYSA-N 2 1 265.426 2.210 20 0 CEADMP Cn1cnc2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc21 ZINC000414774574 263043486 /nfs/dbraw/zinc/04/34/86/263043486.db2.gz YKRGWQWMOBZARM-GASCZTMLSA-N 2 1 284.407 2.005 20 0 CEADMP C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@H]1CCOC1 ZINC000438117662 263044450 /nfs/dbraw/zinc/04/44/50/263044450.db2.gz GMXLYOCATHWYJS-ZMSDIMECSA-N 2 1 278.440 2.362 20 0 CEADMP Cc1ccccc1C[C@@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000188934089 270259664 /nfs/dbraw/zinc/25/96/64/270259664.db2.gz XVMOKCYPIMFNKL-KRWDZBQOSA-N 2 1 299.418 2.149 20 0 CEADMP CC(C)(C[NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000259063261 270329467 /nfs/dbraw/zinc/32/94/67/270329467.db2.gz QIRWYYUKYZBCDQ-GFCCVEGCSA-N 2 1 250.361 2.445 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000420306815 270511527 /nfs/dbraw/zinc/51/15/27/270511527.db2.gz AWMQQBUYFVNVQT-NXEZZACHSA-N 2 1 273.302 2.270 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000420306815 270511528 /nfs/dbraw/zinc/51/15/28/270511528.db2.gz AWMQQBUYFVNVQT-NXEZZACHSA-N 2 1 273.302 2.270 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000420373273 270530524 /nfs/dbraw/zinc/53/05/24/270530524.db2.gz RAPMOOONGJEEND-IIYDPXPESA-N 2 1 274.408 2.140 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422734377 270745457 /nfs/dbraw/zinc/74/54/57/270745457.db2.gz CRMQKGGWCGNRJC-QLFBSQMISA-N 2 1 255.450 2.356 20 0 CEADMP CC[NH+](CC)Cc1ccc(CN[C@@H](C)C2C[NH2+]C2)cc1 ZINC000422786082 270768003 /nfs/dbraw/zinc/76/80/03/270768003.db2.gz OIQLULYUBMBUIF-AWEZNQCLSA-N 2 1 275.440 2.226 20 0 CEADMP C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)[C@H]1CCC[NH2+]1 ZINC000423110344 270839340 /nfs/dbraw/zinc/83/93/40/270839340.db2.gz VRSGGFNNBRKKTG-SWLSCSKDSA-N 2 1 257.381 2.441 20 0 CEADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)[C@H]1CCOC1 ZINC000423266074 270883963 /nfs/dbraw/zinc/88/39/63/270883963.db2.gz RTQZSXOJRCLWFP-SOUVJXGZSA-N 2 1 254.418 2.299 20 0 CEADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)nnn1-c1ccccc1 ZINC000423396111 270910171 /nfs/dbraw/zinc/91/01/71/270910171.db2.gz SFRYHQWHCCHEFD-QEJZJMRPSA-N 2 1 299.422 2.496 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424278636 271038355 /nfs/dbraw/zinc/03/83/55/271038355.db2.gz DQQPOHTWENSOFG-NVXWUHKLSA-N 2 1 293.430 2.284 20 0 CEADMP O[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000424335016 271046786 /nfs/dbraw/zinc/04/67/86/271046786.db2.gz WGDMJXCMZQWAJA-CWQOZTLDSA-N 2 1 286.419 2.295 20 0 CEADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000424362602 271051255 /nfs/dbraw/zinc/05/12/55/271051255.db2.gz AJQUXJFPRZVPIO-HUUCEWRRSA-N 2 1 270.380 2.436 20 0 CEADMP C([NH2+][C@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)[C@@H]1C[C@H]1C1CCC1 ZINC000424375254 271051727 /nfs/dbraw/zinc/05/17/27/271051727.db2.gz KBLQQMMFLYWCBI-QEOTZNIISA-N 2 1 278.440 2.169 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424433394 271056223 /nfs/dbraw/zinc/05/62/23/271056223.db2.gz IMMSWDLMRMTXFK-UHFFFAOYSA-N 2 1 292.427 2.307 20 0 CEADMP COCC(C)(C)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000426049096 271196954 /nfs/dbraw/zinc/19/69/54/271196954.db2.gz KRCWPAQAMZOYAQ-UHFFFAOYSA-N 2 1 256.434 2.464 20 0 CEADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428734110 271292516 /nfs/dbraw/zinc/29/25/16/271292516.db2.gz RYEYHHOMOUCALM-UPJWGTAASA-N 2 1 258.356 2.448 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428734110 271292520 /nfs/dbraw/zinc/29/25/20/271292520.db2.gz RYEYHHOMOUCALM-UPJWGTAASA-N 2 1 258.356 2.448 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428734110 271292522 /nfs/dbraw/zinc/29/25/22/271292522.db2.gz RYEYHHOMOUCALM-UPJWGTAASA-N 2 1 258.356 2.448 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428734110 271292526 /nfs/dbraw/zinc/29/25/26/271292526.db2.gz RYEYHHOMOUCALM-UPJWGTAASA-N 2 1 258.356 2.448 20 0 CEADMP C[C@@H]1C[C@H]1[N@H+]1CCN(CC[NH+]2CCC(C)CC2)C[C@@H](C)C1 ZINC000428999582 271304691 /nfs/dbraw/zinc/30/46/91/271304691.db2.gz SHQAKJADBBEZLZ-KZNAEPCWSA-N 2 1 293.499 2.380 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429323303 271323459 /nfs/dbraw/zinc/32/34/59/271323459.db2.gz UWKNDTDJEZYLRR-LSDHHAIUSA-N 2 1 274.408 2.323 20 0 CEADMP C[C@](C[NH3+])([NH2+]Cc1cc2ccccc2[nH]c1=O)C1CC1 ZINC000430572033 271392698 /nfs/dbraw/zinc/39/26/98/271392698.db2.gz JAQABSFXCURYTI-MRXNPFEDSA-N 2 1 271.364 2.157 20 0 CEADMP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430593222 271396473 /nfs/dbraw/zinc/39/64/73/271396473.db2.gz ONKLYYUGWSZSBP-BARDWOONSA-N 2 1 297.487 2.233 20 0 CEADMP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430593222 271396476 /nfs/dbraw/zinc/39/64/76/271396476.db2.gz ONKLYYUGWSZSBP-BARDWOONSA-N 2 1 297.487 2.233 20 0 CEADMP C[N@@H+](CCCOc1ccc2c(c1)OCO2)CC(C)(C)C[NH3+] ZINC000430590909 271396570 /nfs/dbraw/zinc/39/65/70/271396570.db2.gz JCRUXTZMKAYWGU-UHFFFAOYSA-N 2 1 294.395 2.101 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440637592 271773321 /nfs/dbraw/zinc/77/33/21/271773321.db2.gz OBIXGTHLORWFOH-MWLCHTKSSA-N 2 1 290.333 2.391 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C(C)(C)C ZINC000247022081 280318142 /nfs/dbraw/zinc/31/81/42/280318142.db2.gz KUNDFFSCYBUOQI-XJFOESAGSA-N 2 1 256.434 2.366 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339073220 274049506 /nfs/dbraw/zinc/04/95/06/274049506.db2.gz BBPFVOSLBMZJFI-BZSNNMDCSA-N 2 1 288.435 2.461 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)CCO2 ZINC000223225302 274137870 /nfs/dbraw/zinc/13/78/70/274137870.db2.gz DWJXLUDAXAJKJT-APHBMKBZSA-N 2 1 290.407 2.449 20 0 CEADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)CCO2 ZINC000223225302 274137874 /nfs/dbraw/zinc/13/78/74/274137874.db2.gz DWJXLUDAXAJKJT-APHBMKBZSA-N 2 1 290.407 2.449 20 0 CEADMP C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)O[C@H]1CCCCO1 ZINC000248766926 275391464 /nfs/dbraw/zinc/39/14/64/275391464.db2.gz KZFNNQOCJFGEEJ-SJORKVTESA-N 2 1 296.455 2.480 20 0 CEADMP C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)O[C@H]1CCCCO1 ZINC000248766926 275391467 /nfs/dbraw/zinc/39/14/67/275391467.db2.gz KZFNNQOCJFGEEJ-SJORKVTESA-N 2 1 296.455 2.480 20 0 CEADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C(C)(C)O1 ZINC000363702060 275868349 /nfs/dbraw/zinc/86/83/49/275868349.db2.gz XFRXTTCMDPFRFK-OLZOCXBDSA-N 2 1 277.412 2.381 20 0 CEADMP CC(C)c1cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000362558718 276047377 /nfs/dbraw/zinc/04/73/77/276047377.db2.gz AJFYNTDVAFUHHZ-OCCSQVGLSA-N 2 1 291.443 2.052 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000184660326 276073393 /nfs/dbraw/zinc/07/33/93/276073393.db2.gz OSZFYZGXOMABDG-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000184660326 276073395 /nfs/dbraw/zinc/07/33/95/276073395.db2.gz OSZFYZGXOMABDG-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000184660326 276073396 /nfs/dbraw/zinc/07/33/96/276073396.db2.gz OSZFYZGXOMABDG-KBPBESRZSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)n1nccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415057884 276091845 /nfs/dbraw/zinc/09/18/45/276091845.db2.gz UZCSBNVZTZMAFM-ZBFHGGJFSA-N 2 1 276.428 2.428 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415057884 276091846 /nfs/dbraw/zinc/09/18/46/276091846.db2.gz UZCSBNVZTZMAFM-ZBFHGGJFSA-N 2 1 276.428 2.428 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3O)CC1 ZINC000038098098 276152223 /nfs/dbraw/zinc/15/22/23/276152223.db2.gz AQBYJBOLLJYSAM-HNNXBMFYSA-N 2 1 260.381 2.453 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000352608122 276225418 /nfs/dbraw/zinc/22/54/18/276225418.db2.gz FUDOTPMVEKKCSZ-JJXSEGSLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000352608122 276225419 /nfs/dbraw/zinc/22/54/19/276225419.db2.gz FUDOTPMVEKKCSZ-JJXSEGSLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000352608122 276225420 /nfs/dbraw/zinc/22/54/20/276225420.db2.gz FUDOTPMVEKKCSZ-JJXSEGSLSA-N 2 1 268.445 2.464 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000418204574 276231281 /nfs/dbraw/zinc/23/12/81/276231281.db2.gz XRZLRKUHUXZUJH-RRFJBIMHSA-N 2 1 298.475 2.018 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC(C)(C)O2)C1 ZINC000248575195 276307262 /nfs/dbraw/zinc/30/72/62/276307262.db2.gz OSZFYZGXOMABDG-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000248575195 276307264 /nfs/dbraw/zinc/30/72/64/276307264.db2.gz OSZFYZGXOMABDG-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000248575195 276307265 /nfs/dbraw/zinc/30/72/65/276307265.db2.gz OSZFYZGXOMABDG-UONOGXRCSA-N 2 1 254.418 2.218 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C12CCC2 ZINC000363695768 276345249 /nfs/dbraw/zinc/34/52/49/276345249.db2.gz RZORSZLOBPMPAE-RRFJBIMHSA-N 2 1 289.423 2.383 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](C2CCOCC2)C1 ZINC000336798451 277061461 /nfs/dbraw/zinc/06/14/61/277061461.db2.gz DYOWPERBNSPPCZ-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000336798451 277061462 /nfs/dbraw/zinc/06/14/62/277061462.db2.gz DYOWPERBNSPPCZ-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000336798451 277061463 /nfs/dbraw/zinc/06/14/63/277061463.db2.gz DYOWPERBNSPPCZ-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000251660696 277061953 /nfs/dbraw/zinc/06/19/53/277061953.db2.gz KNSJWTSNDDLHSO-BZUAXINKSA-N 2 1 276.428 2.441 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnoc3C3CC3)CC[C@@H]21 ZINC000363481078 277084124 /nfs/dbraw/zinc/08/41/24/277084124.db2.gz PWPHTYJXHNBRQF-ZFWWWQNUSA-N 2 1 275.396 2.468 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnoc3C3CC3)CC[C@@H]21 ZINC000363481078 277084126 /nfs/dbraw/zinc/08/41/26/277084126.db2.gz PWPHTYJXHNBRQF-ZFWWWQNUSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnoc3C3CC3)CC[C@@H]21 ZINC000363481078 277084127 /nfs/dbraw/zinc/08/41/27/277084127.db2.gz PWPHTYJXHNBRQF-ZFWWWQNUSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnoc3C3CC3)CC[C@@H]21 ZINC000363481078 277084128 /nfs/dbraw/zinc/08/41/28/277084128.db2.gz PWPHTYJXHNBRQF-ZFWWWQNUSA-N 2 1 275.396 2.468 20 0 CEADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)CC1 ZINC000377627910 277108388 /nfs/dbraw/zinc/10/83/88/277108388.db2.gz PQXBDXHCHCEQNN-ZWKOTPCHSA-N 2 1 291.483 2.302 20 0 CEADMP COC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000311148905 277188177 /nfs/dbraw/zinc/18/81/77/277188177.db2.gz IDYRHDLWOFQZAR-MELADBBJSA-N 2 1 254.418 2.264 20 0 CEADMP CO[C@H](C[NH2+]C[C@@H]([NH3+])CC(C)C)c1ccc(F)cc1 ZINC000415084287 277331965 /nfs/dbraw/zinc/33/19/65/277331965.db2.gz ORWRFZQVHMTCSV-LSDHHAIUSA-N 2 1 268.376 2.476 20 0 CEADMP CC(C)CC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351530610 277367455 /nfs/dbraw/zinc/36/74/55/277367455.db2.gz BNWZSYPGZZFWEU-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)CC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351530610 277367456 /nfs/dbraw/zinc/36/74/56/277367456.db2.gz BNWZSYPGZZFWEU-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)CC[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351530610 277367457 /nfs/dbraw/zinc/36/74/57/277367457.db2.gz BNWZSYPGZZFWEU-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)CC[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351530610 277367460 /nfs/dbraw/zinc/36/74/60/277367460.db2.gz BNWZSYPGZZFWEU-HZPDHXFCSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000358215648 277394523 /nfs/dbraw/zinc/39/45/23/277394523.db2.gz ARXXQKARLIQWGC-BZUAXINKSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000358215648 277394524 /nfs/dbraw/zinc/39/45/24/277394524.db2.gz ARXXQKARLIQWGC-BZUAXINKSA-N 2 1 267.461 2.037 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000358215648 277394526 /nfs/dbraw/zinc/39/45/26/277394526.db2.gz ARXXQKARLIQWGC-BZUAXINKSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2OC(F)F)CC[N@@H+]1C ZINC000337531640 278028412 /nfs/dbraw/zinc/02/84/12/278028412.db2.gz DKHFVLNTMUAFPG-KKOKHZNYSA-N 2 1 262.344 2.219 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2OC(F)F)CC[N@H+]1C ZINC000337531640 278028414 /nfs/dbraw/zinc/02/84/14/278028414.db2.gz DKHFVLNTMUAFPG-KKOKHZNYSA-N 2 1 262.344 2.219 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347003753 278166957 /nfs/dbraw/zinc/16/69/57/278166957.db2.gz MCBNXMBEMKHROP-NFAWXSAZSA-N 2 1 254.418 2.108 20 0 CEADMP C[C@H](C[NH2+]C1CCN(C2CC2)CC1)C[NH+]1CCCCC1 ZINC000336833093 278207946 /nfs/dbraw/zinc/20/79/46/278207946.db2.gz NOJJTZIKPASUMT-OAHLLOKOSA-N 2 1 279.472 2.325 20 0 CEADMP C[C@H](O)C[C@H]1CCC[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000300408461 278298948 /nfs/dbraw/zinc/29/89/48/278298948.db2.gz MJQRFITYSYFZRW-RRFJBIMHSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](O)C[C@H]1CCC[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000300408461 278298949 /nfs/dbraw/zinc/29/89/49/278298949.db2.gz MJQRFITYSYFZRW-RRFJBIMHSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H](O)C[C@H]1CCC[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000300408461 278298950 /nfs/dbraw/zinc/29/89/50/278298950.db2.gz MJQRFITYSYFZRW-RRFJBIMHSA-N 2 1 254.418 2.096 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(O)CC1 ZINC000235584345 278331990 /nfs/dbraw/zinc/33/19/90/278331990.db2.gz LHQJGOSBFVHMBI-NFOMZHRRSA-N 2 1 254.418 2.144 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CC[C@H]1CCOC1 ZINC000400590271 278332310 /nfs/dbraw/zinc/33/23/10/278332310.db2.gz CXMDJVKHWSNBQK-GJZGRUSLSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@]1(C)CCCO1 ZINC000340205220 278344020 /nfs/dbraw/zinc/34/40/20/278344020.db2.gz DHBMNSCJWWNRHY-YYIAUSFCSA-N 2 1 298.471 2.423 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338785452 288092174 /nfs/dbraw/zinc/09/21/74/288092174.db2.gz NFQCRMSCBOHFAK-UHOFOFEASA-N 2 1 295.858 2.482 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000338785452 288092175 /nfs/dbraw/zinc/09/21/75/288092175.db2.gz NFQCRMSCBOHFAK-UHOFOFEASA-N 2 1 295.858 2.482 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000373520460 288102863 /nfs/dbraw/zinc/10/28/63/288102863.db2.gz IDMPHDKALYGTII-AKNDPVLGSA-N 2 1 279.472 2.322 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000336718083 279125130 /nfs/dbraw/zinc/12/51/30/279125130.db2.gz UNONCYZYILIFMX-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000373520463 288101961 /nfs/dbraw/zinc/10/19/61/288101961.db2.gz IDMPHDKALYGTII-RNONSGAXSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@H](C1CCCCC1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352103144 279242908 /nfs/dbraw/zinc/24/29/08/279242908.db2.gz MUWYBONUZXDXFE-CZUORRHYSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H](C1CCCCC1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352103144 279242910 /nfs/dbraw/zinc/24/29/10/279242910.db2.gz MUWYBONUZXDXFE-CZUORRHYSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H](C1CCCCC1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352103144 279242911 /nfs/dbraw/zinc/24/29/11/279242911.db2.gz MUWYBONUZXDXFE-CZUORRHYSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H](C1CCCCC1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352103144 279242913 /nfs/dbraw/zinc/24/29/13/279242913.db2.gz MUWYBONUZXDXFE-CZUORRHYSA-N 2 1 268.445 2.342 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353532353 279275200 /nfs/dbraw/zinc/27/52/00/279275200.db2.gz WKAKBOWJWCSYFL-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353532353 279275201 /nfs/dbraw/zinc/27/52/01/279275201.db2.gz WKAKBOWJWCSYFL-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353532353 279275202 /nfs/dbraw/zinc/27/52/02/279275202.db2.gz WKAKBOWJWCSYFL-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353532353 279275203 /nfs/dbraw/zinc/27/52/03/279275203.db2.gz WKAKBOWJWCSYFL-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353532353 279275204 /nfs/dbraw/zinc/27/52/04/279275204.db2.gz WKAKBOWJWCSYFL-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H](C[NH+](C)C)Nc1cc[nH+]cc1Br ZINC000165050206 279280579 /nfs/dbraw/zinc/28/05/79/279280579.db2.gz CXAROVUXRFEHFA-MRVPVSSYSA-N 2 1 258.163 2.206 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C)cn1 ZINC000134284228 280016807 /nfs/dbraw/zinc/01/68/07/280016807.db2.gz KZVBHPHNSPXQOC-ZDUSSCGKSA-N 2 1 258.369 2.321 20 0 CEADMP CC[C@@H](C)CN(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000349071697 280094714 /nfs/dbraw/zinc/09/47/14/280094714.db2.gz GUTSBKYAJHNKBB-HZPDHXFCSA-N 2 1 269.477 2.380 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000191807955 280175972 /nfs/dbraw/zinc/17/59/72/280175972.db2.gz HROZMWSFORIMTA-HNNXBMFYSA-N 2 1 256.434 2.465 20 0 CEADMP CCCC(=O)NC[C@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000191781076 280175205 /nfs/dbraw/zinc/17/52/05/280175205.db2.gz DOSZNUCYAVMVBR-MRXNPFEDSA-N 2 1 297.487 2.347 20 0 CEADMP CCCC(=O)NC[C@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191781076 280175207 /nfs/dbraw/zinc/17/52/07/280175207.db2.gz DOSZNUCYAVMVBR-MRXNPFEDSA-N 2 1 297.487 2.347 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000191807955 280175969 /nfs/dbraw/zinc/17/59/69/280175969.db2.gz HROZMWSFORIMTA-HNNXBMFYSA-N 2 1 256.434 2.465 20 0 CEADMP C[C@H](C(=O)NCCC[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245203844 280236699 /nfs/dbraw/zinc/23/66/99/280236699.db2.gz WWXJODKFPWEEJV-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nccs2)[C@@H](C)C1 ZINC000247118960 280321022 /nfs/dbraw/zinc/32/10/22/280321022.db2.gz UKTODJRCOMVFKI-NWDGAFQWSA-N 2 1 253.415 2.006 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000248140167 280342752 /nfs/dbraw/zinc/34/27/52/280342752.db2.gz PNLVHJUASYOIHS-RDBSUJKOSA-N 2 1 297.443 2.068 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000248140167 280342753 /nfs/dbraw/zinc/34/27/53/280342753.db2.gz PNLVHJUASYOIHS-RDBSUJKOSA-N 2 1 297.443 2.068 20 0 CEADMP C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)[C@H]1CCCO1 ZINC000249289860 280391323 /nfs/dbraw/zinc/39/13/23/280391323.db2.gz MDZSBZFXJZOOIO-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1c[nH+]ccc1N ZINC000422869912 280940635 /nfs/dbraw/zinc/94/06/35/280940635.db2.gz BAOPLBIXSPSZNI-MFKMUULPSA-N 2 1 251.399 2.430 20 0 CEADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422920588 280966390 /nfs/dbraw/zinc/96/63/90/280966390.db2.gz NCRBRQFPNINBBK-TUVASFSCSA-N 2 1 254.418 2.025 20 0 CEADMP COc1cccc(OCCC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422926342 280968409 /nfs/dbraw/zinc/96/84/09/280968409.db2.gz WMSVWGRSANLBMU-CZUORRHYSA-N 2 1 278.396 2.194 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000423025046 280997430 /nfs/dbraw/zinc/99/74/30/280997430.db2.gz NHHLILZZVVRWEA-DGCLKSJQSA-N 2 1 299.365 2.203 20 0 CEADMP CC(C)OCCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423029061 281000361 /nfs/dbraw/zinc/00/03/61/281000361.db2.gz HNOAYTPSUNQYOM-GFCCVEGCSA-N 2 1 251.374 2.350 20 0 CEADMP C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCCCC1 ZINC000423031835 281002489 /nfs/dbraw/zinc/00/24/89/281002489.db2.gz LJWJBUFIOAEHFO-BZUAXINKSA-N 3 1 267.461 2.358 20 0 CEADMP C[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000423050795 281010960 /nfs/dbraw/zinc/01/09/60/281010960.db2.gz ZJFSSYCTTPVPNN-HWMZRRJGSA-N 2 1 279.472 2.370 20 0 CEADMP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423052938 281012032 /nfs/dbraw/zinc/01/20/32/281012032.db2.gz RKEWLZXQVCTRHZ-QWRGUYRKSA-N 2 1 264.417 2.205 20 0 CEADMP CC[C@@H]([NH2+][C@H](CO)Cc1cccc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000423061671 281016396 /nfs/dbraw/zinc/01/63/96/281016396.db2.gz REPKDVNZABHDMA-BBWFWOEESA-N 2 1 276.424 2.019 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423417586 281035810 /nfs/dbraw/zinc/03/58/10/281035810.db2.gz HAPXPZWLAJXHGP-GJZGRUSLSA-N 2 1 295.471 2.145 20 0 CEADMP COCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1OC ZINC000423437590 281041893 /nfs/dbraw/zinc/04/18/93/281041893.db2.gz GIHNNZKIUVFRJZ-AVGNSLFASA-N 2 1 296.411 2.107 20 0 CEADMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000423440089 281043408 /nfs/dbraw/zinc/04/34/08/281043408.db2.gz ALGXAJUCHGTIBO-OLZOCXBDSA-N 2 1 266.385 2.482 20 0 CEADMP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCCO2 ZINC000423447570 281045682 /nfs/dbraw/zinc/04/56/82/281045682.db2.gz ZQJXZAXAYFJRIN-QXSJWSMHSA-N 2 1 272.392 2.325 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000424264437 281140562 /nfs/dbraw/zinc/14/05/62/281140562.db2.gz IKLQXTXUDJDITA-LMRVLLHPSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000424264437 281140564 /nfs/dbraw/zinc/14/05/64/281140564.db2.gz IKLQXTXUDJDITA-LMRVLLHPSA-N 2 1 282.428 2.038 20 0 CEADMP CC[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)[C@@H](CC)CN1C(C)=O ZINC000359219177 281156877 /nfs/dbraw/zinc/15/68/77/281156877.db2.gz NJCRXKYANQTUEN-IRXDYDNUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](C)CC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000428575938 281198645 /nfs/dbraw/zinc/19/86/45/281198645.db2.gz QSKIHYHEKJPMFN-UHFFFAOYSA-N 2 1 263.385 2.076 20 0 CEADMP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430121803 281263339 /nfs/dbraw/zinc/26/33/39/281263339.db2.gz IZDOVYDMPNJMEN-DOTOQJQBSA-N 2 1 280.456 2.467 20 0 CEADMP C[C@@H](CC1CCOCC1)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430121803 281263342 /nfs/dbraw/zinc/26/33/42/281263342.db2.gz IZDOVYDMPNJMEN-DOTOQJQBSA-N 2 1 280.456 2.467 20 0 CEADMP C[C@@H](CC1CCOCC1)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430121803 281263345 /nfs/dbraw/zinc/26/33/45/281263345.db2.gz IZDOVYDMPNJMEN-DOTOQJQBSA-N 2 1 280.456 2.467 20 0 CEADMP COc1ccc(OCCC[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000430621242 281270491 /nfs/dbraw/zinc/27/04/91/281270491.db2.gz CMBIUGMXOLTSQW-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH3+])cc2)C[C@H]1C ZINC000430798345 281277027 /nfs/dbraw/zinc/27/70/27/281277027.db2.gz SYBLRKIVNQMFDC-CZUORRHYSA-N 2 1 289.423 2.090 20 0 CEADMP CC(C)[NH+](CCNC(=O)CC[C@@H]1CCCC[N@H+]1C)C(C)C ZINC000431564954 281307908 /nfs/dbraw/zinc/30/79/08/281307908.db2.gz KIUGNWAZGYSCPY-INIZCTEOSA-N 2 1 297.487 2.486 20 0 CEADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC2CCOCC2)CC1 ZINC000432786706 281340868 /nfs/dbraw/zinc/34/08/68/281340868.db2.gz PXRBQDJFNYGCMO-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP CCCn1cc(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)cn1 ZINC000435378702 281385970 /nfs/dbraw/zinc/38/59/70/281385970.db2.gz FUBAAXAKLVSVGX-HNNXBMFYSA-N 2 1 264.417 2.257 20 0 CEADMP CCCn1cc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cn1 ZINC000435378702 281385974 /nfs/dbraw/zinc/38/59/74/281385974.db2.gz FUBAAXAKLVSVGX-HNNXBMFYSA-N 2 1 264.417 2.257 20 0 CEADMP COc1ccc(C[C@@H](C)C[N@H+]2CC[C@H](C[NH3+])C2)cc1F ZINC000435391002 281387843 /nfs/dbraw/zinc/38/78/43/281387843.db2.gz RDNXPMWTKIKGAM-TZMCWYRMSA-N 2 1 280.387 2.294 20 0 CEADMP Cc1ccccc1[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000289695717 281392748 /nfs/dbraw/zinc/39/27/48/281392748.db2.gz FERVDWFUUFPGJH-RDJZCZTQSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccccc1[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000289695717 281392749 /nfs/dbraw/zinc/39/27/49/281392749.db2.gz FERVDWFUUFPGJH-RDJZCZTQSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccccc1[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000289695717 281392750 /nfs/dbraw/zinc/39/27/50/281392750.db2.gz FERVDWFUUFPGJH-RDJZCZTQSA-N 2 1 288.435 2.239 20 0 CEADMP Cc1ccccc1[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000289695717 281392751 /nfs/dbraw/zinc/39/27/51/281392751.db2.gz FERVDWFUUFPGJH-RDJZCZTQSA-N 2 1 288.435 2.239 20 0 CEADMP C[NH+](C)C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000125888318 282046581 /nfs/dbraw/zinc/04/65/81/282046581.db2.gz ZWYMGYWVJNRUGG-LSDHHAIUSA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261975329 289006584 /nfs/dbraw/zinc/00/65/84/289006584.db2.gz ISAKUHCBFVPRHQ-MXWKQRLJSA-N 2 1 250.308 2.259 20 0 CEADMP CN(C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCC1 ZINC000252926570 289061092 /nfs/dbraw/zinc/06/10/92/289061092.db2.gz OCRIRHQAFPTQCT-ARFHVFGLSA-N 2 1 279.472 2.371 20 0 CEADMP COC[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000158136226 289229041 /nfs/dbraw/zinc/22/90/41/289229041.db2.gz AKBFRHMYDUUGLF-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP COC[C@@H]1CCC[N@@H+](CCC[NH+]2CCC[C@H](COC)C2)C1 ZINC000158136226 289229043 /nfs/dbraw/zinc/22/90/43/289229043.db2.gz AKBFRHMYDUUGLF-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP COC[C@@H]1CCC[N@H+](CCC[NH+]2CCC[C@H](COC)C2)C1 ZINC000158136226 289229047 /nfs/dbraw/zinc/22/90/47/289229047.db2.gz AKBFRHMYDUUGLF-CALCHBBNSA-N 2 1 298.471 2.093 20 0 CEADMP COc1cc([C@H](C)[NH2+]CCc2c[nH+]cn2C)ccc1F ZINC000401862282 289288828 /nfs/dbraw/zinc/28/88/28/289288828.db2.gz YHDZDEAZFLXYOY-NSHDSACASA-N 2 1 277.343 2.461 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)c(F)c1 ZINC000401859205 289289057 /nfs/dbraw/zinc/28/90/57/289289057.db2.gz WWHKKKIZSSZABE-LLVKDONJSA-N 2 1 277.343 2.461 20 0 CEADMP CN(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089147587 289365936 /nfs/dbraw/zinc/36/59/36/289365936.db2.gz RQFYOQHVIZHQBR-OWCLPIDISA-N 2 1 261.413 2.006 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnnn2CC)CC1 ZINC000459311171 290113668 /nfs/dbraw/zinc/11/36/68/290113668.db2.gz VJUMUERAPGXNDL-UHFFFAOYSA-N 2 1 293.459 2.242 20 0 CEADMP C[C@H](C[NH2+]Cc1cnc(C2CC2)nc1)C[NH+]1CCCC1 ZINC000459399245 290137386 /nfs/dbraw/zinc/13/73/86/290137386.db2.gz YOZGYMVVDSZVPP-CYBMUJFWSA-N 2 1 274.412 2.176 20 0 CEADMP C1CC1[NH+]1CCC(N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000459403606 290138338 /nfs/dbraw/zinc/13/83/38/290138338.db2.gz HUJYPRVBMCQJRG-OAHLLOKOSA-N 2 1 277.456 2.220 20 0 CEADMP C[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCO[C@H]1C1CC1 ZINC000459527788 290170937 /nfs/dbraw/zinc/17/09/37/290170937.db2.gz LBDOPPOVZDTUPB-DLBZAZTESA-N 2 1 278.440 2.408 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(O)CCCCC2)[C@H]2CCC[C@H]21 ZINC000367519762 290216499 /nfs/dbraw/zinc/21/64/99/290216499.db2.gz QPKMEVSABDQPTR-QLFBSQMISA-N 2 1 266.429 2.144 20 0 CEADMP CCOC(=O)c1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000459741273 290223651 /nfs/dbraw/zinc/22/36/51/290223651.db2.gz VFYFWFLOFJCMGR-CYBMUJFWSA-N 2 1 294.395 2.278 20 0 CEADMP C(C[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21)C[NH+]1CCCCC1 ZINC000459761374 290230471 /nfs/dbraw/zinc/23/04/71/290230471.db2.gz JVGFRSOGVMHPHP-HOTGVXAUSA-N 2 1 278.440 2.363 20 0 CEADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H]1CC1(C)C ZINC000487329655 290342867 /nfs/dbraw/zinc/34/28/67/290342867.db2.gz YNAMNRQHSAIBJD-HUUCEWRRSA-N 2 1 267.461 2.038 20 0 CEADMP CC(C)[C@H]1CN(CC[C@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000488197488 290383279 /nfs/dbraw/zinc/38/32/79/290383279.db2.gz HBLQEPLKFBUNQN-HZPDHXFCSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[C@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1C ZINC000488197488 290383281 /nfs/dbraw/zinc/38/32/81/290383281.db2.gz HBLQEPLKFBUNQN-HZPDHXFCSA-N 2 1 267.461 2.133 20 0 CEADMP CC(C)[C@H]1CN(CC[C@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000488197488 290383284 /nfs/dbraw/zinc/38/32/84/290383284.db2.gz HBLQEPLKFBUNQN-HZPDHXFCSA-N 2 1 267.461 2.133 20 0 CEADMP C[C@H]1CCC[C@@](C[NH2+]C2CCC(O)CC2)([NH+](C)C)C1 ZINC000235640307 290483444 /nfs/dbraw/zinc/48/34/44/290483444.db2.gz FREJJKFAUAQLGC-SLTXQBBLSA-N 2 1 268.445 2.390 20 0 CEADMP [NH3+]Cc1ccc(-c2noc([C@H]3CCC[N@H+]3C3CC3)n2)cc1 ZINC000414645563 295277742 /nfs/dbraw/zinc/27/77/42/295277742.db2.gz NZXACNRBKXFAEV-CQSZACIVSA-N 2 1 284.363 2.495 20 0 CEADMP c1ccc(C[NH+]2CCC([NH2+]CC34CC(C3)CO4)CC2)cc1 ZINC000527787997 297747702 /nfs/dbraw/zinc/74/77/02/297747702.db2.gz IQAQXKQBVTUINF-UHFFFAOYSA-N 2 1 286.419 2.420 20 0 CEADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000530220619 298055327 /nfs/dbraw/zinc/05/53/27/298055327.db2.gz BFIXGQMKPMRYJL-VBNZEHGJSA-N 2 1 280.387 2.195 20 0 CEADMP CC1(C)CC(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000530222470 298056235 /nfs/dbraw/zinc/05/62/35/298056235.db2.gz NVPHRNQURZRRRR-CQSZACIVSA-N 2 1 266.429 2.110 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)Cc1ccc(F)cc1 ZINC000530222856 298056504 /nfs/dbraw/zinc/05/65/04/298056504.db2.gz HYDRSZRMAQMPCQ-OSRSDYAFSA-N 2 1 294.414 2.359 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C12CCC2 ZINC000530223731 298056862 /nfs/dbraw/zinc/05/68/62/298056862.db2.gz UWGRDLIMFNJBOI-MELADBBJSA-N 2 1 264.413 2.208 20 0 CEADMP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc2c(c1)OCCO2 ZINC000536609605 298200635 /nfs/dbraw/zinc/20/06/35/298200635.db2.gz XIMYLLWIJSICKI-HNNXBMFYSA-N 2 1 290.407 2.374 20 0 CEADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc2c(c1)OCCO2 ZINC000536609605 298200638 /nfs/dbraw/zinc/20/06/38/298200638.db2.gz XIMYLLWIJSICKI-HNNXBMFYSA-N 2 1 290.407 2.374 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc2c(c1)OCCO2 ZINC000536609605 298200640 /nfs/dbraw/zinc/20/06/40/298200640.db2.gz XIMYLLWIJSICKI-HNNXBMFYSA-N 2 1 290.407 2.374 20 0 CEADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc2c(c1)OCCO2 ZINC000536609605 298200644 /nfs/dbraw/zinc/20/06/44/298200644.db2.gz XIMYLLWIJSICKI-HNNXBMFYSA-N 2 1 290.407 2.374 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4[nH]cnc4c3)CC[C@@H]21 ZINC000538796790 298239053 /nfs/dbraw/zinc/23/90/53/298239053.db2.gz UXAWDHSZKDYXSU-PBHICJAKSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4[nH]cnc4c3)CC[C@@H]21 ZINC000538796790 298239057 /nfs/dbraw/zinc/23/90/57/298239057.db2.gz UXAWDHSZKDYXSU-PBHICJAKSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4[nH]cnc4c3)CC[C@@H]21 ZINC000538796790 298239059 /nfs/dbraw/zinc/23/90/59/298239059.db2.gz UXAWDHSZKDYXSU-PBHICJAKSA-N 2 1 284.407 2.479 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4nc[nH]c4c3)CC[C@@H]21 ZINC000538796790 298239062 /nfs/dbraw/zinc/23/90/62/298239062.db2.gz UXAWDHSZKDYXSU-PBHICJAKSA-N 2 1 284.407 2.479 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4nc[nH]c4c3)CC[C@@H]21 ZINC000538796790 298239066 /nfs/dbraw/zinc/23/90/66/298239066.db2.gz UXAWDHSZKDYXSU-PBHICJAKSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4nc[nH]c4c3)CC[C@@H]21 ZINC000538796790 298239069 /nfs/dbraw/zinc/23/90/69/298239069.db2.gz UXAWDHSZKDYXSU-PBHICJAKSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4nc[nH]c4c3)CC[C@@H]21 ZINC000538796790 298239072 /nfs/dbraw/zinc/23/90/72/298239072.db2.gz UXAWDHSZKDYXSU-PBHICJAKSA-N 2 1 284.407 2.479 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000541744192 298284031 /nfs/dbraw/zinc/28/40/31/298284031.db2.gz YZIVVJIJXXRYEJ-IVMMDQJWSA-N 2 1 296.842 2.488 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000186735547 298587674 /nfs/dbraw/zinc/58/76/74/298587674.db2.gz LEXLYFZFKQPUPR-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000566418443 298979167 /nfs/dbraw/zinc/97/91/67/298979167.db2.gz GSOLESANBULEOJ-UHFFFAOYSA-N 3 1 278.444 2.016 20 0 CEADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000566555964 299002163 /nfs/dbraw/zinc/00/21/63/299002163.db2.gz CGIGJIPSPUPLPP-FMKPAKJESA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000566555964 299002165 /nfs/dbraw/zinc/00/21/65/299002165.db2.gz CGIGJIPSPUPLPP-FMKPAKJESA-N 2 1 268.445 2.246 20 0 CEADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000566954285 299030272 /nfs/dbraw/zinc/03/02/72/299030272.db2.gz GMJBUZARQOCXJR-OAGGEKHMSA-N 2 1 290.455 2.378 20 0 CEADMP COc1cccc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1OC ZINC000566967768 299032003 /nfs/dbraw/zinc/03/20/03/299032003.db2.gz AFLIFXRPWFEEAM-HIFRSBDPSA-N 2 1 292.423 2.367 20 0 CEADMP CCCNC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000567286768 299049950 /nfs/dbraw/zinc/04/99/50/299049950.db2.gz WJHOPTNRBXDERG-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCCNC(=O)CCC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000567286768 299049954 /nfs/dbraw/zinc/04/99/54/299049954.db2.gz WJHOPTNRBXDERG-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCCNC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000567286768 299049958 /nfs/dbraw/zinc/04/99/58/299049958.db2.gz WJHOPTNRBXDERG-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CSC[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000517168122 313105280 /nfs/dbraw/zinc/10/52/80/313105280.db2.gz NCYAJTBGNUAPHE-ZDUSSCGKSA-N 2 1 253.415 2.180 20 0 CEADMP CSC[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000517168122 313105284 /nfs/dbraw/zinc/10/52/84/313105284.db2.gz NCYAJTBGNUAPHE-ZDUSSCGKSA-N 2 1 253.415 2.180 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000518471454 313114576 /nfs/dbraw/zinc/11/45/76/313114576.db2.gz BOWLGBQGKNTBBK-WBVHZDCISA-N 2 1 292.423 2.145 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000518471454 313114579 /nfs/dbraw/zinc/11/45/79/313114579.db2.gz BOWLGBQGKNTBBK-WBVHZDCISA-N 2 1 292.423 2.145 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000518459789 313114761 /nfs/dbraw/zinc/11/47/61/313114761.db2.gz DPQKIFQZJRIPPY-MRXNPFEDSA-N 2 1 299.422 2.216 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2CCOCC2)CC1 ZINC000522163143 313141187 /nfs/dbraw/zinc/14/11/87/313141187.db2.gz MSENHAZTXPBMLG-UHFFFAOYSA-N 2 1 268.445 2.465 20 0 CEADMP [NH3+]CCOCC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000530233207 313286510 /nfs/dbraw/zinc/28/65/10/313286510.db2.gz DCWCCWWYPDNCNS-UHFFFAOYSA-N 2 1 288.313 2.039 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000530233207 313286513 /nfs/dbraw/zinc/28/65/13/313286513.db2.gz DCWCCWWYPDNCNS-UHFFFAOYSA-N 2 1 288.313 2.039 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000563352104 313729838 /nfs/dbraw/zinc/72/98/38/313729838.db2.gz BUJYRWXVYYVHQT-ROUUACIJSA-N 2 1 298.434 2.388 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000564721746 313773475 /nfs/dbraw/zinc/77/34/75/313773475.db2.gz DJIBRIFXNGSGNC-LJQANCHMSA-N 2 1 298.430 2.427 20 0 CEADMP COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569722707 314014004 /nfs/dbraw/zinc/01/40/04/314014004.db2.gz CGSZPLNCTVZNFX-MRXNPFEDSA-N 2 1 274.408 2.420 20 0 CEADMP COCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569722707 314014006 /nfs/dbraw/zinc/01/40/06/314014006.db2.gz CGSZPLNCTVZNFX-MRXNPFEDSA-N 2 1 274.408 2.420 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000569821900 314016785 /nfs/dbraw/zinc/01/67/85/314016785.db2.gz FFKZONJOYMFJNU-OAHLLOKOSA-N 2 1 277.412 2.292 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1O ZINC000570490750 314044597 /nfs/dbraw/zinc/04/45/97/314044597.db2.gz XGYATTJWYKOSDJ-LLVKDONJSA-N 2 1 275.352 2.028 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000571053396 314070096 /nfs/dbraw/zinc/07/00/96/314070096.db2.gz JPKHGXQNLDVITJ-QGZVFWFLSA-N 3 1 273.424 2.036 20 0 CEADMP [NH3+]CC[C@H]1CCCCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000571053396 314070100 /nfs/dbraw/zinc/07/01/00/314070100.db2.gz JPKHGXQNLDVITJ-QGZVFWFLSA-N 2 1 273.424 2.036 20 0 CEADMP c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc2c1OCC2 ZINC000571283777 314082615 /nfs/dbraw/zinc/08/26/15/314082615.db2.gz CNJXCHOUHPFYDU-QGZVFWFLSA-N 2 1 272.392 2.197 20 0 CEADMP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc2c1OCC2 ZINC000571283777 314082620 /nfs/dbraw/zinc/08/26/20/314082620.db2.gz CNJXCHOUHPFYDU-QGZVFWFLSA-N 2 1 272.392 2.197 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1C[C@@H]1CCCC[C@@H]1O)CC[NH2+]CC2 ZINC000571453713 314091223 /nfs/dbraw/zinc/09/12/23/314091223.db2.gz ZOEDEGSXZMYTLE-ILXRZTDVSA-N 2 1 266.429 2.002 20 0 CEADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1c(C)noc1C ZINC000573426560 314156670 /nfs/dbraw/zinc/15/66/70/314156670.db2.gz SSPCFJLACXYKBO-STQMWFEESA-N 2 1 251.374 2.474 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@H](O)Cc1ccccc1)C1CC1 ZINC000573478346 314160601 /nfs/dbraw/zinc/16/06/01/314160601.db2.gz PBRUCXAKKRWJFA-QGZVFWFLSA-N 2 1 276.424 2.054 20 0 CEADMP C[NH2+]CCSC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000576104958 314241993 /nfs/dbraw/zinc/24/19/93/314241993.db2.gz DHYWAGNCTYOVCH-INIZCTEOSA-N 2 1 294.464 2.230 20 0 CEADMP C[NH2+]CCSC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000576104959 314242094 /nfs/dbraw/zinc/24/20/94/314242094.db2.gz DHYWAGNCTYOVCH-MRXNPFEDSA-N 2 1 294.464 2.230 20 0 CEADMP COCC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCC[C@H]1C ZINC000576594170 314291956 /nfs/dbraw/zinc/29/19/56/314291956.db2.gz MEBZEOJUKAGRPM-GDBMZVCRSA-N 2 1 279.428 2.490 20 0 CEADMP COCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCC[C@H]1C ZINC000576594170 314291958 /nfs/dbraw/zinc/29/19/58/314291958.db2.gz MEBZEOJUKAGRPM-GDBMZVCRSA-N 2 1 279.428 2.490 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000381614975 321835789 /nfs/dbraw/zinc/83/57/89/321835789.db2.gz XBFGEWGUARJVJT-QWHCGFSZSA-N 2 1 299.459 2.362 20 0 CEADMP CO[C@@H]([C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000388278230 321883885 /nfs/dbraw/zinc/88/38/85/321883885.db2.gz KKJSTMBKTLOZJX-ABAIWWIYSA-N 2 1 252.402 2.016 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000581318568 322386699 /nfs/dbraw/zinc/38/66/99/322386699.db2.gz ZICGBAOJXZGVRG-MGPQQGTHSA-N 2 1 256.434 2.103 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396340735 329313903 /nfs/dbraw/zinc/31/39/03/329313903.db2.gz XRSCUDJWISGZTB-UHFFFAOYSA-N 2 1 291.317 2.017 20 0 CEADMP CC[N@H+](CCc1nccs1)CC[C@H]1CCC[NH+]1C ZINC000163416882 521180673 /nfs/dbraw/zinc/18/06/73/521180673.db2.gz OVJFDQKXGJHEFR-CYBMUJFWSA-N 2 1 267.442 2.492 20 0 CEADMP CC[NH+](CCc1nccs1)CC[C@H]1CCC[N@@H+]1C ZINC000163416882 521180678 /nfs/dbraw/zinc/18/06/78/521180678.db2.gz OVJFDQKXGJHEFR-CYBMUJFWSA-N 2 1 267.442 2.492 20 0 CEADMP CC[NH+](CCc1nccs1)CC[C@H]1CCC[N@H+]1C ZINC000163416882 521180687 /nfs/dbraw/zinc/18/06/87/521180687.db2.gz OVJFDQKXGJHEFR-CYBMUJFWSA-N 2 1 267.442 2.492 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000166045961 533791304 /nfs/dbraw/zinc/79/13/04/533791304.db2.gz DLHPHMBQOREEBP-ZNMIVQPWSA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCCCC1 ZINC000357392595 519808951 /nfs/dbraw/zinc/80/89/51/519808951.db2.gz NVTTVLBKKYAEJQ-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@@H+](CCc1nccs1)CC[C@H]1CCC[NH+]1C ZINC000163416882 521180665 /nfs/dbraw/zinc/18/06/65/521180665.db2.gz OVJFDQKXGJHEFR-CYBMUJFWSA-N 2 1 267.442 2.492 20 0 CEADMP CCC[N@@H+](CCOCC(F)(F)F)C1CC[NH2+]CC1 ZINC000049311721 521669613 /nfs/dbraw/zinc/66/96/13/521669613.db2.gz IVNVYDHSKQTBFQ-UHFFFAOYSA-N 2 1 268.323 2.029 20 0 CEADMP CCc1nc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)no1 ZINC000371200202 522461380 /nfs/dbraw/zinc/46/13/80/522461380.db2.gz ZDQKDSZZOQKUOI-UONOGXRCSA-N 2 1 292.427 2.296 20 0 CEADMP CCc1nc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)no1 ZINC000371200202 522461390 /nfs/dbraw/zinc/46/13/90/522461390.db2.gz ZDQKDSZZOQKUOI-UONOGXRCSA-N 2 1 292.427 2.296 20 0 CEADMP CCc1nc([C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)no1 ZINC000371200202 522461403 /nfs/dbraw/zinc/46/14/03/522461403.db2.gz ZDQKDSZZOQKUOI-UONOGXRCSA-N 2 1 292.427 2.296 20 0 CEADMP CCc1nc([C@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)no1 ZINC000371200202 522461414 /nfs/dbraw/zinc/46/14/14/522461414.db2.gz ZDQKDSZZOQKUOI-UONOGXRCSA-N 2 1 292.427 2.296 20 0 CEADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CCCC1CC[NH2+]CC1 ZINC000050953194 523505865 /nfs/dbraw/zinc/50/58/65/523505865.db2.gz DEQONMJTEIQETF-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](CNc1cc[nH+]c(N(C)C)n1)C[NH+]1CCCCC1 ZINC000068690090 524759208 /nfs/dbraw/zinc/75/92/08/524759208.db2.gz WUNJDGSRDYIUSY-ZDUSSCGKSA-N 2 1 277.416 2.077 20 0 CEADMP COc1ccncc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000340402418 524858675 /nfs/dbraw/zinc/85/86/75/524858675.db2.gz GABVZQVMVXQHAL-KFWWJZLASA-N 2 1 275.396 2.053 20 0 CEADMP COc1ccncc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000340402418 524858684 /nfs/dbraw/zinc/85/86/84/524858684.db2.gz GABVZQVMVXQHAL-KFWWJZLASA-N 2 1 275.396 2.053 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000049556635 525923551 /nfs/dbraw/zinc/92/35/51/525923551.db2.gz VTLAEKVRERZBAS-GOEBONIOSA-N 2 1 262.397 2.102 20 0 CEADMP c1ccc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000359217261 526492824 /nfs/dbraw/zinc/49/28/24/526492824.db2.gz KBVGPTMLALJQST-KRWDZBQOSA-N 2 1 274.408 2.450 20 0 CEADMP Cc1nc(C)c(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000157942693 526714181 /nfs/dbraw/zinc/71/41/81/526714181.db2.gz KWZWGPHUVODMPQ-GWCFXTLKSA-N 2 1 267.442 2.232 20 0 CEADMP Cc1nc([C@@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)no1 ZINC000363467842 527045045 /nfs/dbraw/zinc/04/50/45/527045045.db2.gz KIHUSVYRPUGMKA-ZIAGYGMSSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc([C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)no1 ZINC000363467842 527045051 /nfs/dbraw/zinc/04/50/51/527045051.db2.gz KIHUSVYRPUGMKA-ZIAGYGMSSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)no1 ZINC000363467842 527045058 /nfs/dbraw/zinc/04/50/58/527045058.db2.gz KIHUSVYRPUGMKA-ZIAGYGMSSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1nc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)no1 ZINC000363467842 527045064 /nfs/dbraw/zinc/04/50/64/527045064.db2.gz KIHUSVYRPUGMKA-ZIAGYGMSSA-N 2 1 278.400 2.042 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCc2cncs2)C1 ZINC000411310184 528148471 /nfs/dbraw/zinc/14/84/71/528148471.db2.gz UDYLOUYACWDLNB-AWEZNQCLSA-N 2 1 297.468 2.118 20 0 CEADMP CCCCc1noc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000357085080 529056194 /nfs/dbraw/zinc/05/61/94/529056194.db2.gz QGZKQWLNGZPHOD-AWEZNQCLSA-N 2 1 292.427 2.234 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccncc2)CC1 ZINC000156449111 529143783 /nfs/dbraw/zinc/14/37/83/529143783.db2.gz TVGGAUNMOFXYST-INIZCTEOSA-N 2 1 290.455 2.150 20 0 CEADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH2+]C(C)C)c1ccccc1 ZINC000151815417 538808655 /nfs/dbraw/zinc/80/86/55/538808655.db2.gz KSLKHWPZEUUYBN-INIZCTEOSA-N 2 1 291.439 2.184 20 0 CEADMP Cc1ccccc1[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000726071580 574423607 /nfs/dbraw/zinc/42/36/07/574423607.db2.gz NBCNQBVGBFIMHY-DLBZAZTESA-N 2 1 288.435 2.241 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CCCC[NH+]1CCCC1 ZINC000729365248 574486127 /nfs/dbraw/zinc/48/61/27/574486127.db2.gz KWMDTPQVHNOSBS-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC000732138373 574613111 /nfs/dbraw/zinc/61/31/11/574613111.db2.gz BARGJKORIOARCX-INIZCTEOSA-N 2 1 295.471 2.243 20 0 CEADMP C[NH+](C)CC(C)(C)CNc1nc(N2CCCC2)cc[nH+]1 ZINC000733184070 574654376 /nfs/dbraw/zinc/65/43/76/574654376.db2.gz ICLGMZIFQGVYIH-UHFFFAOYSA-N 2 1 277.416 2.077 20 0 CEADMP C[C@H]1C[C@H](N(C)C(=O)CCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000741709319 574994847 /nfs/dbraw/zinc/99/48/47/574994847.db2.gz VSEWBGJLNITZKX-JKSUJKDBSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC000742915478 575037660 /nfs/dbraw/zinc/03/76/60/575037660.db2.gz LVCVDPOFGPIYJA-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC)C1 ZINC000742910696 575037709 /nfs/dbraw/zinc/03/77/09/575037709.db2.gz JKQMTWKXFJBGPF-MRXNPFEDSA-N 2 1 297.487 2.299 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000742910696 575037710 /nfs/dbraw/zinc/03/77/10/575037710.db2.gz JKQMTWKXFJBGPF-MRXNPFEDSA-N 2 1 297.487 2.299 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000742910696 575037712 /nfs/dbraw/zinc/03/77/12/575037712.db2.gz JKQMTWKXFJBGPF-MRXNPFEDSA-N 2 1 297.487 2.299 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000753706372 575336312 /nfs/dbraw/zinc/33/63/12/575336312.db2.gz LNHBZVVKFBAOFT-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000753706372 575336315 /nfs/dbraw/zinc/33/63/15/575336315.db2.gz LNHBZVVKFBAOFT-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000753706372 575336316 /nfs/dbraw/zinc/33/63/16/575336316.db2.gz LNHBZVVKFBAOFT-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP C[N@@H+](C[C@H]1C[C@]1(C)Br)CC1CC[NH+](C)CC1 ZINC000891933759 624114566 /nfs/dbraw/zinc/11/45/66/624114566.db2.gz MZDWHSRMTMFAIT-OLZOCXBDSA-N 2 1 289.261 2.434 20 0 CEADMP CCC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000972651150 614541967 /nfs/dbraw/zinc/54/19/67/614541967.db2.gz NUWWIVVKAVDHAU-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981338089 614889716 /nfs/dbraw/zinc/88/97/16/614889716.db2.gz SDHOSIDVZMJQBJ-CABCVRRESA-N 2 1 295.471 2.145 20 0 CEADMP CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970927378 614973030 /nfs/dbraw/zinc/97/30/30/614973030.db2.gz CXNKORJVOQOWMB-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975105065 615356342 /nfs/dbraw/zinc/35/63/42/615356342.db2.gz AONSSZZRTKEVFB-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975105065 615356344 /nfs/dbraw/zinc/35/63/44/615356344.db2.gz AONSSZZRTKEVFB-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975105065 615356347 /nfs/dbraw/zinc/35/63/47/615356347.db2.gz AONSSZZRTKEVFB-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNc1nccn2cncc12 ZINC000892459961 625520606 /nfs/dbraw/zinc/52/06/06/625520606.db2.gz IKWXNWKWXZXRGB-GFCCVEGCSA-N 2 1 259.357 2.016 20 0 CEADMP OCCCCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000175775781 622859639 /nfs/dbraw/zinc/85/96/39/622859639.db2.gz NOUFTAZKEMTWIL-MRXNPFEDSA-N 2 1 268.445 2.347 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806127884 622936649 /nfs/dbraw/zinc/93/66/49/622936649.db2.gz LCYIGZUBJHFHOP-GFCCVEGCSA-N 2 1 265.788 2.406 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261573134 623382287 /nfs/dbraw/zinc/38/22/87/623382287.db2.gz UVHSMTBJINRRDW-VBNZEHGJSA-N 2 1 261.413 2.451 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933372766 623691267 /nfs/dbraw/zinc/69/12/67/623691267.db2.gz LJHPQNMYZWGPFC-AWEZNQCLSA-N 2 1 263.385 2.044 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCO[C@H](c3cccs3)C2)CC1 ZINC000891826217 623997961 /nfs/dbraw/zinc/99/79/61/623997961.db2.gz MVZDLQSXMYPGFZ-AWEZNQCLSA-N 2 1 280.437 2.463 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000891901459 624082551 /nfs/dbraw/zinc/08/25/51/624082551.db2.gz INEKGKDONVMZMO-GJZGRUSLSA-N 2 1 298.475 2.020 20 0 CEADMP C[N@H+](Cc1cnn(C2CCC2)c1)CC1CC[NH+](C)CC1 ZINC000891934511 624114646 /nfs/dbraw/zinc/11/46/46/624114646.db2.gz VUDKFKMOWHPYET-UHFFFAOYSA-N 2 1 276.428 2.382 20 0 CEADMP C[C@H]1Cc2cc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)ccc2O1 ZINC000892034261 624264542 /nfs/dbraw/zinc/26/45/42/624264542.db2.gz KKEQPUVMZYSIDV-ZFWWWQNUSA-N 2 1 274.408 2.394 20 0 CEADMP C[C@H]1Cc2cc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)ccc2O1 ZINC000892034261 624264545 /nfs/dbraw/zinc/26/45/45/624264545.db2.gz KKEQPUVMZYSIDV-ZFWWWQNUSA-N 2 1 274.408 2.394 20 0 CEADMP CC[NH+](CC)[C@H](CNc1nc(N)cc(C)[nH+]1)c1ccco1 ZINC000892074783 624296958 /nfs/dbraw/zinc/29/69/58/624296958.db2.gz JWSHFDUVSSFZFO-GFCCVEGCSA-N 2 1 289.383 2.455 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262076790 624450071 /nfs/dbraw/zinc/45/00/71/624450071.db2.gz SRJCMNWPBVCPJV-UHFFFAOYSA-N 2 1 288.391 2.049 20 0 CEADMP CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023761993 625202384 /nfs/dbraw/zinc/20/23/84/625202384.db2.gz OOHAEPKWONRQDB-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001023761993 625202387 /nfs/dbraw/zinc/20/23/87/625202387.db2.gz OOHAEPKWONRQDB-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023761993 625202389 /nfs/dbraw/zinc/20/23/89/625202389.db2.gz OOHAEPKWONRQDB-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP O=c1[nH]c2ccccc2cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000074335568 625208567 /nfs/dbraw/zinc/20/85/67/625208567.db2.gz WWUBLSXSVDELEC-UHFFFAOYSA-N 2 1 299.418 2.494 20 0 CEADMP CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024620570 625723843 /nfs/dbraw/zinc/72/38/43/625723843.db2.gz YFVFOTJQJBGUQB-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001024620570 625723853 /nfs/dbraw/zinc/72/38/53/625723853.db2.gz YFVFOTJQJBGUQB-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001024620570 625723856 /nfs/dbraw/zinc/72/38/56/625723856.db2.gz YFVFOTJQJBGUQB-HRCADAONSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001024989488 625939524 /nfs/dbraw/zinc/93/95/24/625939524.db2.gz MWYSSOZFZZQRJT-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001024989489 625940054 /nfs/dbraw/zinc/94/00/54/625940054.db2.gz MWYSSOZFZZQRJT-JKSUJKDBSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(C[NH+](C)C)c1 ZINC000820841232 634547802 /nfs/dbraw/zinc/54/78/02/634547802.db2.gz JJBDLRJLHOWXRW-AWEZNQCLSA-N 3 1 286.423 2.375 20 0 CEADMP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000892569471 627277721 /nfs/dbraw/zinc/27/77/21/627277721.db2.gz AAKSAICYQCGINQ-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000892569471 627277725 /nfs/dbraw/zinc/27/77/25/627277725.db2.gz AAKSAICYQCGINQ-LSDHHAIUSA-N 3 1 267.461 2.181 20 0 CEADMP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000926755763 627287801 /nfs/dbraw/zinc/28/78/01/627287801.db2.gz ZPIKOBHLXDHMQT-OWCLPIDISA-N 2 1 268.445 2.369 20 0 CEADMP C[C@@H]1COC[C@@H](C)C1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000924576780 627292548 /nfs/dbraw/zinc/29/25/48/627292548.db2.gz BCCOOMOOHPXYAD-CHWSQXEVSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cnc1F ZINC000892608668 627307774 /nfs/dbraw/zinc/30/77/74/627307774.db2.gz RPMLRMWHTSOMTG-UONOGXRCSA-N 2 1 263.360 2.246 20 0 CEADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cnc1F ZINC000892608668 627307776 /nfs/dbraw/zinc/30/77/76/627307776.db2.gz RPMLRMWHTSOMTG-UONOGXRCSA-N 2 1 263.360 2.246 20 0 CEADMP C[C@@H]1CC[C@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000783230481 627398787 /nfs/dbraw/zinc/39/87/87/627398787.db2.gz LSTLVPWYRLGVCJ-APIJFGDWSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)C[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)N(C)C ZINC000902335939 634597477 /nfs/dbraw/zinc/59/74/77/634597477.db2.gz LGRZXJNDRABNKE-LSDHHAIUSA-N 2 1 269.477 2.331 20 0 CEADMP C[C@@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000902335412 634595958 /nfs/dbraw/zinc/59/59/58/634595958.db2.gz BAGWHOQTLQFESP-OWCLPIDISA-N 2 1 281.488 2.475 20 0 CEADMP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)N1CCC[C@@H](C)C1 ZINC000902335412 634595963 /nfs/dbraw/zinc/59/59/63/634595963.db2.gz BAGWHOQTLQFESP-OWCLPIDISA-N 2 1 281.488 2.475 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](OC)C2)C1 ZINC000851790412 627720056 /nfs/dbraw/zinc/72/00/56/627720056.db2.gz KIVYRPWQPCYRGB-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902337239 634598732 /nfs/dbraw/zinc/59/87/32/634598732.db2.gz PYWKPRKKCCGBLG-RRFJBIMHSA-N 2 1 267.461 2.227 20 0 CEADMP Cn1nc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c2ccccc21 ZINC000902373496 634604396 /nfs/dbraw/zinc/60/43/96/634604396.db2.gz DZUWEHULBREIGR-CYBMUJFWSA-N 2 1 286.423 2.441 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](CCO)c2ccco2)C1 ZINC000902373308 634604834 /nfs/dbraw/zinc/60/48/34/634604834.db2.gz CEWWIDBQTIDSQM-STQMWFEESA-N 2 1 266.385 2.071 20 0 CEADMP C[N@@H+](CCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)Cc1ccccc1 ZINC000328457707 627885494 /nfs/dbraw/zinc/88/54/94/627885494.db2.gz SCVHAXYLAJMKCR-ZWJWXYIHSA-N 2 1 299.462 2.095 20 0 CEADMP c1ccc(SCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000328471627 627886047 /nfs/dbraw/zinc/88/60/47/627886047.db2.gz HBEBTXBVZMVTQI-RHMLRGBNSA-N 2 1 274.433 2.365 20 0 CEADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000314240828 627891669 /nfs/dbraw/zinc/89/16/69/627891669.db2.gz RAUQORLQOIXZDH-AIANPOQGSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)n1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925509058 628028366 /nfs/dbraw/zinc/02/83/66/628028366.db2.gz LPWKOJPWJCZHAN-JSGCOSHPSA-N 2 1 264.417 2.460 20 0 CEADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384324 634628491 /nfs/dbraw/zinc/62/84/91/634628491.db2.gz ITHUEUYMARMJCY-KBPBESRZSA-N 2 1 255.450 2.083 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000893200336 628123350 /nfs/dbraw/zinc/12/33/50/628123350.db2.gz NWNJGOHYMBQQGN-GJZGRUSLSA-N 2 1 284.444 2.096 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2NCCc3ccccc32)C1 ZINC000902393611 634633778 /nfs/dbraw/zinc/63/37/78/634633778.db2.gz RCLZFHHJPJDXRN-NVXWUHKLSA-N 2 1 287.451 2.241 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2NCCc3ccccc32)C1 ZINC000902393612 634633906 /nfs/dbraw/zinc/63/39/06/634633906.db2.gz RCLZFHHJPJDXRN-RDJZCZTQSA-N 2 1 287.451 2.241 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)c(C)c1OC ZINC000902404379 634640427 /nfs/dbraw/zinc/64/04/27/634640427.db2.gz DWRKAYYUITWZMG-NSHDSACASA-N 2 1 264.369 2.154 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925578527 628256120 /nfs/dbraw/zinc/25/61/20/628256120.db2.gz WPHZPKYVDFPYFG-IHRRRGAJSA-N 2 1 255.450 2.212 20 0 CEADMP CC[C@H](C)N(C)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925578527 628256124 /nfs/dbraw/zinc/25/61/24/628256124.db2.gz WPHZPKYVDFPYFG-IHRRRGAJSA-N 2 1 255.450 2.212 20 0 CEADMP Oc1ccccc1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925616431 628301733 /nfs/dbraw/zinc/30/17/33/628301733.db2.gz MFYJVZUFGLTQDZ-OAHLLOKOSA-N 2 1 260.381 2.199 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)ncn1 ZINC000925626638 628320297 /nfs/dbraw/zinc/32/02/97/628320297.db2.gz RYAJSWGJOBMCNB-HZPDHXFCSA-N 2 1 274.412 2.043 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccccc1 ZINC000925627519 628321119 /nfs/dbraw/zinc/32/11/19/628321119.db2.gz BESBZMXDDKMHLD-ULQDDVLXSA-N 2 1 285.435 2.306 20 0 CEADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)[C@H]1c1ccccc1 ZINC000925627520 628321642 /nfs/dbraw/zinc/32/16/42/628321642.db2.gz BESBZMXDDKMHLD-YESZJQIVSA-N 2 1 285.435 2.306 20 0 CEADMP COc1cccc2[nH]cc(CC[NH2+][C@H]3CCC[NH2+][C@@H]3C)c21 ZINC000925628489 628323710 /nfs/dbraw/zinc/32/37/10/628323710.db2.gz HOENMMRFRGTNLL-OCCSQVGLSA-N 2 1 287.407 2.449 20 0 CEADMP COCC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccco1 ZINC000925632260 628327985 /nfs/dbraw/zinc/32/79/85/628327985.db2.gz QGLPBBSDRRMRLE-IACUBPJLSA-N 2 1 264.369 2.217 20 0 CEADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000925636109 628332857 /nfs/dbraw/zinc/33/28/57/628332857.db2.gz QRBPGARHQDREHW-WBVHZDCISA-N 2 1 287.451 2.381 20 0 CEADMP CC(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001026515850 628345650 /nfs/dbraw/zinc/34/56/50/628345650.db2.gz MOTKOGBFISADIN-GPANFISMSA-N 2 1 295.471 2.144 20 0 CEADMP COc1cccc(C2(CN[C@@H]3CCC[NH2+][C@H]3C)CC2)c1 ZINC000925667341 628387350 /nfs/dbraw/zinc/38/73/50/628387350.db2.gz BUXHYGYIBFHTCR-XJKSGUPXSA-N 2 1 274.408 2.457 20 0 CEADMP COc1cccc(C2(C[NH2+][C@@H]3CCC[NH2+][C@H]3C)CC2)c1 ZINC000925667341 628387352 /nfs/dbraw/zinc/38/73/52/628387352.db2.gz BUXHYGYIBFHTCR-XJKSGUPXSA-N 2 1 274.408 2.457 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1c[nH+]ccc1N ZINC000902431140 634652912 /nfs/dbraw/zinc/65/29/12/634652912.db2.gz RRGWRVRDMSWZRI-HUBLWGQQSA-N 2 1 263.385 2.086 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925685991 628492338 /nfs/dbraw/zinc/49/23/38/628492338.db2.gz PBDBLNWMZVVDHM-LVQVYYBASA-N 3 1 279.472 2.085 20 0 CEADMP CC(C)[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000902413084 634661973 /nfs/dbraw/zinc/66/19/73/634661973.db2.gz IBKVGJHKWTZLQL-CYBMUJFWSA-N 2 1 275.352 2.311 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000925699062 628535936 /nfs/dbraw/zinc/53/59/36/628535936.db2.gz MQHYCVAWIMDMPQ-CABCVRRESA-N 2 1 259.397 2.376 20 0 CEADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(OC(F)F)cc1 ZINC000902414434 634663054 /nfs/dbraw/zinc/66/30/54/634663054.db2.gz AFNHIFTWYTURDU-SECBINFHSA-N 2 1 256.296 2.430 20 0 CEADMP c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[NH2+]C13CCCC3)CN2 ZINC000925703986 628546892 /nfs/dbraw/zinc/54/68/92/628546892.db2.gz WQSXTHIABTUINM-ZBFHGGJFSA-N 2 1 271.408 2.288 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(N)c3)CC[C@H]21 ZINC000227328538 628558594 /nfs/dbraw/zinc/55/85/94/628558594.db2.gz TWPBNUVZBRKRAN-GDBMZVCRSA-N 2 1 259.397 2.185 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(N)c3)CC[C@H]21 ZINC000227328538 628558597 /nfs/dbraw/zinc/55/85/97/628558597.db2.gz TWPBNUVZBRKRAN-GDBMZVCRSA-N 2 1 259.397 2.185 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(N)c3)CC[C@H]21 ZINC000227328538 628558599 /nfs/dbraw/zinc/55/85/99/628558599.db2.gz TWPBNUVZBRKRAN-GDBMZVCRSA-N 2 1 259.397 2.185 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000925722077 628592387 /nfs/dbraw/zinc/59/23/87/628592387.db2.gz JBUHEMHZAZRLGH-SOUVJXGZSA-N 2 1 266.429 2.456 20 0 CEADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257693529 628605869 /nfs/dbraw/zinc/60/58/69/628605869.db2.gz OENNEVREAYYXMA-UHFFFAOYSA-N 2 1 251.399 2.027 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902447621 634670672 /nfs/dbraw/zinc/67/06/72/634670672.db2.gz APQDEOFGGPPMBH-BXUZGUMPSA-N 2 1 250.361 2.344 20 0 CEADMP C[C@@H]([NH3+])[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000925726458 628642353 /nfs/dbraw/zinc/64/23/53/628642353.db2.gz IIGHQSXNQUUOJB-MAURAIGZSA-N 3 1 273.424 2.195 20 0 CEADMP C[C@@H]([NH3+])[C@@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000925726458 628642358 /nfs/dbraw/zinc/64/23/58/628642358.db2.gz IIGHQSXNQUUOJB-MAURAIGZSA-N 2 1 273.424 2.195 20 0 CEADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902449437 634672337 /nfs/dbraw/zinc/67/23/37/634672337.db2.gz OJCNZOZVGVZEEX-CVEARBPZSA-N 2 1 294.414 2.361 20 0 CEADMP CC1(C)CC[N@@H+](CCN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000902455986 634676458 /nfs/dbraw/zinc/67/64/58/634676458.db2.gz MRFPPAPJWHBMKF-KGLIPLIRSA-N 2 1 267.461 2.214 20 0 CEADMP CC1(C)CCN(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000902455986 634676462 /nfs/dbraw/zinc/67/64/62/634676462.db2.gz MRFPPAPJWHBMKF-KGLIPLIRSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@H+]1CCC(C)(C)C1 ZINC000902454035 634675909 /nfs/dbraw/zinc/67/59/09/634675909.db2.gz DZTGTFUMHITNEB-NVXWUHKLSA-N 2 1 289.467 2.266 20 0 CEADMP Cn1nc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1C(F)(F)F ZINC000902456048 634678063 /nfs/dbraw/zinc/67/80/63/634678063.db2.gz NDEBNKSPBKRESE-MWLCHTKSSA-N 2 1 290.333 2.046 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc2nonc2c1 ZINC000902456855 634678072 /nfs/dbraw/zinc/67/80/72/634678072.db2.gz QDOUUICXANJGKQ-LRDDRELGSA-N 2 1 296.374 2.271 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)OC1CCCCC1 ZINC000867501956 628725006 /nfs/dbraw/zinc/72/50/06/628725006.db2.gz OOJZIRUGXGZQAV-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)OC1CCCCC1 ZINC000867501956 628725009 /nfs/dbraw/zinc/72/50/09/628725009.db2.gz OOJZIRUGXGZQAV-AWEZNQCLSA-N 2 1 299.459 2.317 20 0 CEADMP CC1(C)[C@@H]([NH2+]Cc2ccc3nonc3c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902458118 634678622 /nfs/dbraw/zinc/67/86/22/634678622.db2.gz TXJQQRITUFUSIB-UGFHNGPFSA-N 2 1 286.379 2.089 20 0 CEADMP CCOc1ccc(CC[N@@H+](C)CCC[NH2+]C)cc1 ZINC000258842903 628775803 /nfs/dbraw/zinc/77/58/03/628775803.db2.gz WLNHPZOLICPFJP-UHFFFAOYSA-N 2 1 250.386 2.169 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000893602840 628780631 /nfs/dbraw/zinc/78/06/31/628780631.db2.gz RPVRNHLBRDENRE-INIZCTEOSA-N 2 1 288.435 2.153 20 0 CEADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1(C)C ZINC000925780957 628807823 /nfs/dbraw/zinc/80/78/23/628807823.db2.gz CEXUTCOAYHOIFG-YIYPIFLZSA-N 2 1 254.418 2.024 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[N@H+]1Cc1ccccc1 ZINC000902471969 634687593 /nfs/dbraw/zinc/68/75/93/634687593.db2.gz VUSLJQBVKHXGCO-PLLDYVMSSA-N 2 1 285.435 2.132 20 0 CEADMP CSC1CCC(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000925803210 628852027 /nfs/dbraw/zinc/85/20/27/628852027.db2.gz WCSCROKQFXTETN-BLYZHGLHSA-N 2 1 256.459 2.496 20 0 CEADMP CSC1CCC(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000925803209 628852038 /nfs/dbraw/zinc/85/20/38/628852038.db2.gz WCSCROKQFXTETN-ABXWRUBCSA-N 2 1 256.459 2.496 20 0 CEADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000261527434 628921517 /nfs/dbraw/zinc/92/15/17/628921517.db2.gz BBUKPLVPPKEUTA-IUCAKERBSA-N 2 1 257.175 2.274 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229436421 628925649 /nfs/dbraw/zinc/92/56/49/628925649.db2.gz RIINWMKEVQWOOK-KGLIPLIRSA-N 2 1 252.402 2.149 20 0 CEADMP C(N[C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925837286 628934778 /nfs/dbraw/zinc/93/47/78/628934778.db2.gz DOFZYEPXOPYZAT-UYTYNIKBSA-N 2 1 291.483 2.419 20 0 CEADMP c1ccc(N2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000107981774 628939646 /nfs/dbraw/zinc/93/96/46/628939646.db2.gz SLXHLKVCFDGMPC-INIZCTEOSA-N 2 1 273.424 2.198 20 0 CEADMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cccc(O)c1 ZINC000925846272 628949464 /nfs/dbraw/zinc/94/94/64/628949464.db2.gz VAACKHZFYBHYGR-OAHLLOKOSA-N 2 1 291.439 2.118 20 0 CEADMP C[C@H](NC1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCC[NH2+]1 ZINC000925861174 628961680 /nfs/dbraw/zinc/96/16/80/628961680.db2.gz OAFRWSWIZFNWLA-JWMHWRSXSA-N 2 1 265.445 2.124 20 0 CEADMP C[C@@H]([NH2+]CCc1cccc2c1OCCO2)[C@@H]1CCCC[NH2+]1 ZINC000925874030 628973615 /nfs/dbraw/zinc/97/36/15/628973615.db2.gz GSCUJUHHVXAIOO-HIFRSBDPSA-N 2 1 290.407 2.121 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000925874559 628974246 /nfs/dbraw/zinc/97/42/46/628974246.db2.gz KDUGVVRHYFGEDV-HUUCEWRRSA-N 2 1 260.381 2.371 20 0 CEADMP CC[C@@H](N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000925882898 628981776 /nfs/dbraw/zinc/98/17/76/628981776.db2.gz ADMBMKRTNOBNDO-BDXSIMOUSA-N 2 1 287.451 2.166 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CC[N@@H+]1C ZINC000925889194 628984859 /nfs/dbraw/zinc/98/48/59/628984859.db2.gz ZWJNPKRPHMUNOV-SPUZQDLCSA-N 3 1 287.451 2.118 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CC[N@H+]1C ZINC000925889194 628984861 /nfs/dbraw/zinc/98/48/61/628984861.db2.gz ZWJNPKRPHMUNOV-SPUZQDLCSA-N 3 1 287.451 2.118 20 0 CEADMP COC[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)C1CCCC1 ZINC000902485309 634701996 /nfs/dbraw/zinc/70/19/96/634701996.db2.gz ZOIINACQYVVFBE-LSDHHAIUSA-N 2 1 254.418 2.313 20 0 CEADMP CCOC(=O)[C@H](CC)[N@@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000893947125 629060352 /nfs/dbraw/zinc/06/03/52/629060352.db2.gz WZYBZWTUBFIZOK-HNNXBMFYSA-N 2 1 282.428 2.134 20 0 CEADMP Cc1ncoc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000894189899 629197494 /nfs/dbraw/zinc/19/74/94/629197494.db2.gz HFDROYOHEFYTTI-UHFFFAOYSA-N 2 1 289.379 2.213 20 0 CEADMP Cc1noc2ncc(C[NH2+]CCCn3cc[nH+]c3C)cc12 ZINC000894195402 629200680 /nfs/dbraw/zinc/20/06/80/629200680.db2.gz ZFOCJGVTQHVYGD-UHFFFAOYSA-N 2 1 285.351 2.216 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)on1 ZINC000924950342 629287529 /nfs/dbraw/zinc/28/75/29/629287529.db2.gz JKEAIXRAIQGIAU-WDEREUQCSA-N 2 1 278.356 2.175 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+]C(C1CCCC1)C1CCCC1 ZINC000924994442 629332087 /nfs/dbraw/zinc/33/20/87/629332087.db2.gz QDHXTBIEGIZZDW-HNNXBMFYSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1ccc(OCC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000795331444 629518188 /nfs/dbraw/zinc/51/81/88/629518188.db2.gz DTDVLZQRLWOTIG-QGZVFWFLSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1ccc(OCC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000795331444 629518192 /nfs/dbraw/zinc/51/81/92/629518192.db2.gz DTDVLZQRLWOTIG-QGZVFWFLSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1ccc(OCC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000795331444 629518198 /nfs/dbraw/zinc/51/81/98/629518198.db2.gz DTDVLZQRLWOTIG-QGZVFWFLSA-N 2 1 274.408 2.401 20 0 CEADMP Cc1ccc(OCC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000795331444 629518202 /nfs/dbraw/zinc/51/82/02/629518202.db2.gz DTDVLZQRLWOTIG-QGZVFWFLSA-N 2 1 274.408 2.401 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000894561723 629532984 /nfs/dbraw/zinc/53/29/84/629532984.db2.gz YQROFUYBSQDLOK-NFOMZHRRSA-N 2 1 256.434 2.390 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000894561723 629532986 /nfs/dbraw/zinc/53/29/86/629532986.db2.gz YQROFUYBSQDLOK-NFOMZHRRSA-N 2 1 256.434 2.390 20 0 CEADMP Cc1cc(N)nc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000894638482 629568467 /nfs/dbraw/zinc/56/84/67/629568467.db2.gz BTULNSNUUGBIKB-CQSZACIVSA-N 2 1 283.379 2.054 20 0 CEADMP Cc1cc(N)nc(NC[C@H]2CC[N@H+]2Cc2ccccc2)[nH+]1 ZINC000894638482 629568469 /nfs/dbraw/zinc/56/84/69/629568469.db2.gz BTULNSNUUGBIKB-CQSZACIVSA-N 2 1 283.379 2.054 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H]2C[C@]2(C)Br)C1 ZINC000894861924 629699492 /nfs/dbraw/zinc/69/94/92/629699492.db2.gz YSWVUOAVLYRORI-UPJWGTAASA-N 2 1 289.261 2.481 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000909440345 629865889 /nfs/dbraw/zinc/86/58/89/629865889.db2.gz UEOMTVRVGJHEGA-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000909440345 629865898 /nfs/dbraw/zinc/86/58/98/629865898.db2.gz UEOMTVRVGJHEGA-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000909440345 629865908 /nfs/dbraw/zinc/86/59/08/629865908.db2.gz UEOMTVRVGJHEGA-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)n(C)n1 ZINC000793527255 629898090 /nfs/dbraw/zinc/89/80/90/629898090.db2.gz PJFSLUGSTDLBOD-GJZGRUSLSA-N 2 1 278.444 2.500 20 0 CEADMP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)n(C)n1 ZINC000793527255 629898095 /nfs/dbraw/zinc/89/80/95/629898095.db2.gz PJFSLUGSTDLBOD-GJZGRUSLSA-N 2 1 278.444 2.500 20 0 CEADMP C[N@@H+](CCCCCCCO)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796457633 629910125 /nfs/dbraw/zinc/91/01/25/629910125.db2.gz FQYNTMOKTVBCKF-XYPWUTKMSA-N 2 1 268.445 2.486 20 0 CEADMP C[NH+](CCCCCCCO)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796457633 629910130 /nfs/dbraw/zinc/91/01/30/629910130.db2.gz FQYNTMOKTVBCKF-XYPWUTKMSA-N 2 1 268.445 2.486 20 0 CEADMP C[NH+](CCCCCCCO)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796457633 629910135 /nfs/dbraw/zinc/91/01/35/629910135.db2.gz FQYNTMOKTVBCKF-XYPWUTKMSA-N 2 1 268.445 2.486 20 0 CEADMP C[NH+](C)C1CCC([NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000796835310 630028130 /nfs/dbraw/zinc/02/81/30/630028130.db2.gz KTJBJIADFQUSCJ-RUXDESIVSA-N 2 1 262.401 2.250 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C(F)(F)F ZINC000796875986 630050813 /nfs/dbraw/zinc/05/08/13/630050813.db2.gz UVMARRROJPTMPV-WISYIIOYSA-N 2 1 280.334 2.026 20 0 CEADMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@@H](CC(F)(F)F)O1 ZINC000895470525 630208831 /nfs/dbraw/zinc/20/88/31/630208831.db2.gz WIWIZWKIYRKJRQ-WCQYABFASA-N 2 1 294.361 2.370 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cn(C)nn1 ZINC000902729607 634798926 /nfs/dbraw/zinc/79/89/26/634798926.db2.gz JQQUXDAHDQXGJM-CQSZACIVSA-N 2 1 299.422 2.262 20 0 CEADMP Cc1ccnc(N)c1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895556165 630247777 /nfs/dbraw/zinc/24/77/77/630247777.db2.gz GAOPITZQVWVFEW-AWEZNQCLSA-N 2 1 297.406 2.078 20 0 CEADMP Cc1ccnc(N)c1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895556165 630247780 /nfs/dbraw/zinc/24/77/80/630247780.db2.gz GAOPITZQVWVFEW-AWEZNQCLSA-N 2 1 297.406 2.078 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](CF)C2)cc1 ZINC000895572148 630252654 /nfs/dbraw/zinc/25/26/54/630252654.db2.gz AUNKGWSXVRJCFE-HNNXBMFYSA-N 2 1 280.387 2.418 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000895601859 630266523 /nfs/dbraw/zinc/26/65/23/630266523.db2.gz QRBAVFSWECBQGM-MRXNPFEDSA-N 2 1 287.407 2.315 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cn(C)nn1 ZINC000902747752 634807176 /nfs/dbraw/zinc/80/71/76/634807176.db2.gz IAXVUHWICSMOTQ-UONOGXRCSA-N 2 1 279.432 2.120 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000896694082 630640829 /nfs/dbraw/zinc/64/08/29/630640829.db2.gz SGQKXYSFBJLMCH-LSDHHAIUSA-N 2 1 295.471 2.192 20 0 CEADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000896694082 630640831 /nfs/dbraw/zinc/64/08/31/630640831.db2.gz SGQKXYSFBJLMCH-LSDHHAIUSA-N 2 1 295.471 2.192 20 0 CEADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000896694082 630640833 /nfs/dbraw/zinc/64/08/33/630640833.db2.gz SGQKXYSFBJLMCH-LSDHHAIUSA-N 2 1 295.471 2.192 20 0 CEADMP CCO[C@H](C[NH2+][C@H](C)CCc1ccc(O)cc1)C[NH+](C)C ZINC000896880132 630699067 /nfs/dbraw/zinc/69/90/67/630699067.db2.gz OEPXHXLRRDVDTN-RHSMWYFYSA-N 2 1 294.439 2.270 20 0 CEADMP CCO[C@H](C[NH2+]C[C@@H](C)c1ccccc1)C[NH+](C)C ZINC000896880306 630699468 /nfs/dbraw/zinc/69/94/68/630699468.db2.gz UGSLLSGOGRFPAG-GDBMZVCRSA-N 2 1 264.413 2.346 20 0 CEADMP C[N@H+]1C[C@@H]2CN(c3cc[nH+]c4c(O)cccc34)C[C@]2(C)C1 ZINC000896912881 630796000 /nfs/dbraw/zinc/79/60/00/630796000.db2.gz HVJFKOPAMWQCTL-PXAZEXFGSA-N 2 1 283.375 2.328 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)CC1CCC2(CC1)OCCO2 ZINC000798957382 630956166 /nfs/dbraw/zinc/95/61/66/630956166.db2.gz AWPCLFCJTLKSST-UHFFFAOYSA-N 2 1 296.455 2.337 20 0 CEADMP COCC(C)(C)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957219 630957084 /nfs/dbraw/zinc/95/70/84/630957084.db2.gz OTOISEJTJCMPGU-UHFFFAOYSA-N 2 1 268.445 2.467 20 0 CEADMP [NH3+]Cc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000904301130 635554247 /nfs/dbraw/zinc/55/42/47/635554247.db2.gz HLDZGLJNNSECPL-UHFFFAOYSA-N 3 1 273.424 2.109 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H](c2ccc(F)cc2)O1 ZINC000904323103 635569350 /nfs/dbraw/zinc/56/93/50/635569350.db2.gz MNLUKQPLTQWSLJ-AVRGHOLYSA-N 2 1 278.371 2.325 20 0 CEADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)C[N@@H+](C)C1CCC1 ZINC000909601780 631099232 /nfs/dbraw/zinc/09/92/32/631099232.db2.gz RXSDSEOABMGCRO-UHFFFAOYSA-N 2 1 289.423 2.479 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC([NH+](C)CC)CC2)C1 ZINC000985594328 631156010 /nfs/dbraw/zinc/15/60/10/631156010.db2.gz UTAFWHMBYKJWFU-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([N@H+](C)CC)CC2)C1 ZINC000985594328 631156013 /nfs/dbraw/zinc/15/60/13/631156013.db2.gz UTAFWHMBYKJWFU-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+]1CCC[C@@H](C(=O)N2CCC([N@@H+](C)CC)CC2)C1 ZINC000985594328 631156014 /nfs/dbraw/zinc/15/60/14/631156014.db2.gz UTAFWHMBYKJWFU-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000985683832 631172853 /nfs/dbraw/zinc/17/28/53/631172853.db2.gz WLTTURQXQJYXPS-HNNXBMFYSA-N 2 1 295.471 2.194 20 0 CEADMP C1CC2(CCOCC2)[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000800477278 631581766 /nfs/dbraw/zinc/58/17/66/631581766.db2.gz UBQMRXYEGKWRIX-ZNMIVQPWSA-N 2 1 264.413 2.162 20 0 CEADMP CC[C@](O)(CCC(F)(F)F)C[NH2+]C1CC[NH+](C)CC1 ZINC000897521787 631616033 /nfs/dbraw/zinc/61/60/33/631616033.db2.gz JAMCATLDQQVLLS-LBPRGKRZSA-N 2 1 282.350 2.154 20 0 CEADMP C[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)CO1 ZINC000251755511 631663145 /nfs/dbraw/zinc/66/31/45/631663145.db2.gz STNDJQKVJKGIPZ-MLQJFRMTSA-N 2 1 252.402 2.016 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)CC1(C)C ZINC000897533569 631685596 /nfs/dbraw/zinc/68/55/96/631685596.db2.gz GERAYBWCJNRGFT-KKUMJFAQSA-N 2 1 268.445 2.390 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000897792021 631918791 /nfs/dbraw/zinc/91/87/91/631918791.db2.gz CQAMTRXMMZTZEK-ZIAGYGMSSA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897792021 631918795 /nfs/dbraw/zinc/91/87/95/631918795.db2.gz CQAMTRXMMZTZEK-ZIAGYGMSSA-N 2 1 283.460 2.096 20 0 CEADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897792021 631918800 /nfs/dbraw/zinc/91/88/00/631918800.db2.gz CQAMTRXMMZTZEK-ZIAGYGMSSA-N 2 1 283.460 2.096 20 0 CEADMP OCCC1CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000898008867 632000374 /nfs/dbraw/zinc/00/03/74/632000374.db2.gz XYXNSQWTIKZJCO-UHFFFAOYSA-N 2 1 288.435 2.402 20 0 CEADMP CO[C@@H](C)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809717906 632132511 /nfs/dbraw/zinc/13/25/11/632132511.db2.gz OFSCBEQQTCCCPI-ZDUSSCGKSA-N 2 1 250.386 2.215 20 0 CEADMP CCCCCC[N@H+](C)Cc1nc([C@@H](C)C[NH2+]C)no1 ZINC000842583595 632206137 /nfs/dbraw/zinc/20/61/37/632206137.db2.gz OEZAZCZAHCQRQR-LBPRGKRZSA-N 2 1 268.405 2.405 20 0 CEADMP CCCCCC[N@@H+](C)Cc1nc([C@@H](C)C[NH2+]C)no1 ZINC000842583595 632206140 /nfs/dbraw/zinc/20/61/40/632206140.db2.gz OEZAZCZAHCQRQR-LBPRGKRZSA-N 2 1 268.405 2.405 20 0 CEADMP COC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000866505720 632317772 /nfs/dbraw/zinc/31/77/72/632317772.db2.gz SVMLECUYKJWBQP-MGPQQGTHSA-N 2 1 254.418 2.264 20 0 CEADMP CCO[C@@H](C[NH2+]C1CC2(C1)CCCC2)C[NH+](C)C ZINC000926965350 632395377 /nfs/dbraw/zinc/39/53/77/632395377.db2.gz WAXLDFLFGAFVOQ-AWEZNQCLSA-N 2 1 254.418 2.266 20 0 CEADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccns2)CC1 ZINC000924657395 632398722 /nfs/dbraw/zinc/39/87/22/632398722.db2.gz CCFJPRKVOZYAQF-CQSZACIVSA-N 2 1 296.484 2.211 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C(C)(C)CO ZINC000924688985 632420237 /nfs/dbraw/zinc/42/02/37/632420237.db2.gz VYVDKYUOQUOVQB-LSDHHAIUSA-N 2 1 270.461 2.495 20 0 CEADMP C[NH+]1CCC(C[NH2+]CC(F)(F)C2(O)CCCCC2)CC1 ZINC000898524737 632529469 /nfs/dbraw/zinc/52/94/69/632529469.db2.gz TVPSWFZPEMRWCB-UHFFFAOYSA-N 2 1 290.398 2.248 20 0 CEADMP C[C@@H](NC(=[NH2+])NCCCC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000899265851 632764192 /nfs/dbraw/zinc/76/41/92/632764192.db2.gz KQNLPUXXIZDACI-UONOGXRCSA-N 2 1 280.460 2.411 20 0 CEADMP CC[C@@](O)(C[NH2+][C@H](C)C(C)(C)C[NH+](C)C)C(F)(F)F ZINC000905132409 635838059 /nfs/dbraw/zinc/83/80/59/635838059.db2.gz MDPZBZCQRFPCLL-ZYHUDNBSSA-N 2 1 284.366 2.256 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@H+](C)CCF)cc1 ZINC000816640864 633455124 /nfs/dbraw/zinc/45/51/24/633455124.db2.gz ZOTMSRSZGVQTBC-UHFFFAOYSA-N 2 1 254.349 2.028 20 0 CEADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCF)cc1 ZINC000816640864 633455127 /nfs/dbraw/zinc/45/51/27/633455127.db2.gz ZOTMSRSZGVQTBC-UHFFFAOYSA-N 2 1 254.349 2.028 20 0 CEADMP C[NH+](C)CCN(C(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC000900430762 633718764 /nfs/dbraw/zinc/71/87/64/633718764.db2.gz SGDRFUITUXOZAB-UHFFFAOYSA-N 2 1 289.423 2.066 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CCCCCCC[NH3+])C[C@H]1C[NH3+] ZINC000817880373 633750214 /nfs/dbraw/zinc/75/02/14/633750214.db2.gz QRHQRXXQXVPXIG-QLFBSQMISA-N 3 1 255.450 2.201 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1cccnc1 ZINC000817891555 633754692 /nfs/dbraw/zinc/75/46/92/633754692.db2.gz CSUWRBHBLUWZAF-YOEHRIQHSA-N 2 1 285.391 2.009 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000817895666 633758528 /nfs/dbraw/zinc/75/85/28/633758528.db2.gz WRQCEJVKWUKBGK-JHJVBQTASA-N 2 1 289.206 2.496 20 0 CEADMP Cc1cccc(OCCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000817906752 633766541 /nfs/dbraw/zinc/76/65/41/633766541.db2.gz FEWMTGYWAKAWLD-HOCLYGCPSA-N 2 1 262.397 2.352 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H](C)[NH+]1CCCCC1 ZINC000817914662 633773655 /nfs/dbraw/zinc/77/36/55/633773655.db2.gz XJPJRPZHDQFRGJ-UONOGXRCSA-N 2 1 290.455 2.374 20 0 CEADMP C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000817914363 633773883 /nfs/dbraw/zinc/77/38/83/633773883.db2.gz YZJLCRHSABBUOC-AAVRWANBSA-N 2 1 266.385 2.212 20 0 CEADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817970370 633813963 /nfs/dbraw/zinc/81/39/63/633813963.db2.gz SONUPJKPRVXGPO-YNEHKIRRSA-N 2 1 285.432 2.101 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(N2CCCOC2=O)cc1 ZINC000817972265 633816076 /nfs/dbraw/zinc/81/60/76/633816076.db2.gz KQRDAHMHKRJHRQ-NWDGAFQWSA-N 2 1 277.368 2.031 20 0 CEADMP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2c(c1)CCCO2 ZINC000817977411 633820638 /nfs/dbraw/zinc/82/06/38/633820638.db2.gz JXEBLMXRUUBUOF-DLTWYDFYSA-N 2 1 272.392 2.270 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000818966523 634019674 /nfs/dbraw/zinc/01/96/74/634019674.db2.gz RVLPJLCZJHECIE-WBMJQRKESA-N 2 1 291.370 2.290 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1ccccc1 ZINC000819100043 634068113 /nfs/dbraw/zinc/06/81/13/634068113.db2.gz CVHMNNSTZXAVIB-MRXNPFEDSA-N 2 1 273.380 2.295 20 0 CEADMP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1F ZINC000819355322 634151739 /nfs/dbraw/zinc/15/17/39/634151739.db2.gz QXSVSWAGECKEEF-QGZVFWFLSA-N 2 1 292.398 2.466 20 0 CEADMP Cc1cc(F)ccc1[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000819366980 634157923 /nfs/dbraw/zinc/15/79/23/634157923.db2.gz VHIJTLBBZCSXIR-PBHICJAKSA-N 2 1 294.414 2.489 20 0 CEADMP CCOCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903056163 634948435 /nfs/dbraw/zinc/94/84/35/634948435.db2.gz QRZXUFLIEWOERA-LQDVMPOASA-N 2 1 252.402 2.160 20 0 CEADMP COC[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903078508 634959669 /nfs/dbraw/zinc/95/96/69/634959669.db2.gz IAXDFIBFGSJSBD-IKKMQULASA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)CC[N@H+]1C ZINC000903099174 634968481 /nfs/dbraw/zinc/96/84/81/634968481.db2.gz CSOLOTOYFPFGNS-AZGATIOISA-N 2 1 277.456 2.217 20 0 CEADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC[NH+]1C ZINC000903099174 634968483 /nfs/dbraw/zinc/96/84/83/634968483.db2.gz CSOLOTOYFPFGNS-AZGATIOISA-N 3 1 277.456 2.217 20 0 CEADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC[NH+]1C ZINC000903099174 634968485 /nfs/dbraw/zinc/96/84/85/634968485.db2.gz CSOLOTOYFPFGNS-AZGATIOISA-N 3 1 277.456 2.217 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)o1 ZINC000903099528 634968667 /nfs/dbraw/zinc/96/86/67/634968667.db2.gz JBLRRAYTPQJEGV-YPAMNDHTSA-N 2 1 290.407 2.369 20 0 CEADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](O)C(F)F ZINC000903178390 634999645 /nfs/dbraw/zinc/99/96/45/634999645.db2.gz HRNVDCFWHHWJGS-ICQVQKKUSA-N 2 1 288.382 2.138 20 0 CEADMP C1CC1[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1COC3(CCC3)C1)C2 ZINC000903199296 635009430 /nfs/dbraw/zinc/00/94/30/635009430.db2.gz AYDTYNHJIGNLEE-VMIYWNJYSA-N 2 1 276.424 2.445 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903207879 635016038 /nfs/dbraw/zinc/01/60/38/635016038.db2.gz WBURCDZOUAIEIK-GJZGRUSLSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000903321324 635054860 /nfs/dbraw/zinc/05/48/60/635054860.db2.gz CBHYOHXNLWDJKK-NJAFHUGGSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000903321324 635054861 /nfs/dbraw/zinc/05/48/61/635054861.db2.gz CBHYOHXNLWDJKK-NJAFHUGGSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CC[N@@H+]3C)CC2)C1 ZINC000903321871 635055717 /nfs/dbraw/zinc/05/57/17/635055717.db2.gz JEAUADKOIOLPTG-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CC[N@H+]3C)CC2)C1 ZINC000903321871 635055721 /nfs/dbraw/zinc/05/57/21/635055721.db2.gz JEAUADKOIOLPTG-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc(C)n1 ZINC000823058103 635055781 /nfs/dbraw/zinc/05/57/81/635055781.db2.gz YDRDTLGRNKAQHF-OAHLLOKOSA-N 2 1 275.396 2.187 20 0 CEADMP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc(C)n1 ZINC000823058102 635056378 /nfs/dbraw/zinc/05/63/78/635056378.db2.gz YDRDTLGRNKAQHF-HNNXBMFYSA-N 2 1 275.396 2.187 20 0 CEADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)[C@H]1CCCOC1 ZINC000903379723 635093853 /nfs/dbraw/zinc/09/38/53/635093853.db2.gz IGWWLOMEFXVCCW-XIRDDKMYSA-N 2 1 291.439 2.479 20 0 CEADMP COCCC[C@H](C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903382300 635095006 /nfs/dbraw/zinc/09/50/06/635095006.db2.gz DNCWBTBBBOHMBS-GOEBONIOSA-N 2 1 279.428 2.479 20 0 CEADMP FC1(F)C[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1(F)F ZINC000903417522 635106898 /nfs/dbraw/zinc/10/68/98/635106898.db2.gz WZRYRBGKLAKMJT-NSHDSACASA-N 2 1 280.309 2.352 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000903431349 635114578 /nfs/dbraw/zinc/11/45/78/635114578.db2.gz VCAJIIPCSYQXIZ-APHBMKBZSA-N 2 1 278.371 2.326 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000903437593 635117708 /nfs/dbraw/zinc/11/77/08/635117708.db2.gz KADBMGPOEWLCAX-HFTRVMKXSA-N 2 1 288.435 2.214 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCOC[C@@H]2c2ccccc2)C1 ZINC000903439356 635118575 /nfs/dbraw/zinc/11/85/75/635118575.db2.gz HBUREXRSYYEFBN-NUEKZKHPSA-N 2 1 260.381 2.187 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)C1 ZINC000903463710 635126924 /nfs/dbraw/zinc/12/69/24/635126924.db2.gz JRBOLEXKRSNEPL-JJXSEGSLSA-N 2 1 266.429 2.395 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000903443831 635129697 /nfs/dbraw/zinc/12/96/97/635129697.db2.gz JJUMTQNJIPMGOK-BPQIPLTHSA-N 2 1 287.451 2.048 20 0 CEADMP CN(CC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000903445113 635130718 /nfs/dbraw/zinc/13/07/18/635130718.db2.gz YIIZKPFAJSLIJQ-CABCVRRESA-N 2 1 261.413 2.182 20 0 CEADMP c1cc(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)sn1 ZINC000903453577 635136894 /nfs/dbraw/zinc/13/68/94/635136894.db2.gz CFUXZMUROFMBTI-ZIAGYGMSSA-N 2 1 279.453 2.397 20 0 CEADMP COC[C@H](C[NH2+][C@H](C[NH3+])C1CCCCC1)C(C)C ZINC000903454614 635138108 /nfs/dbraw/zinc/13/81/08/635138108.db2.gz FIRNIUHZPBGUKZ-LSDHHAIUSA-N 2 1 256.434 2.402 20 0 CEADMP COc1cccc([C@@H]2C[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)CCO2)c1 ZINC000903455089 635138206 /nfs/dbraw/zinc/13/82/06/635138206.db2.gz PTNQFICIXODZGN-KMFMINBZSA-N 2 1 290.407 2.196 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000903456733 635139126 /nfs/dbraw/zinc/13/91/26/635139126.db2.gz KDMZGDARDRNQDK-KLZNWCGWSA-N 3 1 277.456 2.063 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000903456733 635139131 /nfs/dbraw/zinc/13/91/31/635139131.db2.gz KDMZGDARDRNQDK-KLZNWCGWSA-N 2 1 277.456 2.063 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000903456733 635139133 /nfs/dbraw/zinc/13/91/33/635139133.db2.gz KDMZGDARDRNQDK-KLZNWCGWSA-N 2 1 277.456 2.063 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)C1 ZINC000903456733 635139139 /nfs/dbraw/zinc/13/91/39/635139139.db2.gz KDMZGDARDRNQDK-KLZNWCGWSA-N 2 1 277.456 2.063 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)C1 ZINC000903456733 635139144 /nfs/dbraw/zinc/13/91/44/635139144.db2.gz KDMZGDARDRNQDK-KLZNWCGWSA-N 2 1 277.456 2.063 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903473937 635143969 /nfs/dbraw/zinc/14/39/69/635143969.db2.gz CFAXZRIPSWISJU-HUUCEWRRSA-N 2 1 298.377 2.203 20 0 CEADMP CCn1nc(C)c(C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)c1C ZINC000903476739 635146344 /nfs/dbraw/zinc/14/63/44/635146344.db2.gz HTAWMDZWCIPTBZ-KGLIPLIRSA-N 2 1 264.417 2.079 20 0 CEADMP c1cc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)cc2c1OCC2 ZINC000903485051 635151772 /nfs/dbraw/zinc/15/17/72/635151772.db2.gz ZNDIKQLVQXUMAG-KRWDZBQOSA-N 2 1 286.419 2.428 20 0 CEADMP FC1(F)C[C@]2(CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)C1(F)F ZINC000903490654 635156443 /nfs/dbraw/zinc/15/64/43/635156443.db2.gz BUORPXWNUSDFHK-QWRGUYRKSA-N 2 1 280.309 2.352 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2noc(-c3ccccc3)n2)C[C@H]1CC[NH3+] ZINC000903496386 635157046 /nfs/dbraw/zinc/15/70/46/635157046.db2.gz MBFWMMRZKFHQHR-TZMCWYRMSA-N 2 1 286.379 2.153 20 0 CEADMP COc1ccc2c(c1)C[N@@H+](C[C@H]1CCCC[NH2+]C1)CC2 ZINC000903726265 635238626 /nfs/dbraw/zinc/23/86/26/635238626.db2.gz LMGBLPPSEJBVCH-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP COc1ccc2c(c1)C[N@H+](C[C@H]1CCCC[NH2+]C1)CC2 ZINC000903726265 635238631 /nfs/dbraw/zinc/23/86/31/635238631.db2.gz LMGBLPPSEJBVCH-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP c1ccc([C@@H]2CC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)cc1 ZINC000903725195 635238805 /nfs/dbraw/zinc/23/88/05/635238805.db2.gz XWOHGLVVNLNPLE-FGTMMUONSA-N 2 1 286.419 2.245 20 0 CEADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728400 635239589 /nfs/dbraw/zinc/23/95/89/635239589.db2.gz ALEIMFOEHGJXLF-BPKGMFCQSA-N 2 1 278.440 2.408 20 0 CEADMP CCC1(CC)CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903730803 635241915 /nfs/dbraw/zinc/24/19/15/635241915.db2.gz ZKPLQAXKSWTKLU-GDBMZVCRSA-N 2 1 266.429 2.267 20 0 CEADMP CC1(C)C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C(C)(C)CO1 ZINC000903729926 635242400 /nfs/dbraw/zinc/24/24/00/635242400.db2.gz SOBIJCXVUJFWNS-CQSZACIVSA-N 2 1 296.455 2.035 20 0 CEADMP C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)OC1CCSCC1 ZINC000903713097 635244020 /nfs/dbraw/zinc/24/40/20/635244020.db2.gz DJWCILXHZSGIQU-UHFFFAOYSA-N 2 1 284.469 2.115 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903747077 635246923 /nfs/dbraw/zinc/24/69/23/635246923.db2.gz OZKMGXHAYZXIGP-GRYCIOLGSA-N 2 1 280.334 2.157 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903747077 635246926 /nfs/dbraw/zinc/24/69/26/635246926.db2.gz OZKMGXHAYZXIGP-GRYCIOLGSA-N 2 1 280.334 2.157 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903751723 635248920 /nfs/dbraw/zinc/24/89/20/635248920.db2.gz IMMOIJDNLQBVPC-NAWOPXAZSA-N 2 1 294.361 2.463 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903734480 635250649 /nfs/dbraw/zinc/25/06/49/635250649.db2.gz RMDQGQVYDKGUBQ-PMPSAXMXSA-N 2 1 266.429 2.267 20 0 CEADMP CC1(C)CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903734118 635250828 /nfs/dbraw/zinc/25/08/28/635250828.db2.gz OQCIXDKOBOZSDC-GOEBONIOSA-N 2 1 266.429 2.267 20 0 CEADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733438 635250848 /nfs/dbraw/zinc/25/08/48/635250848.db2.gz KGJOLOMVRBKUQX-ZNMIVQPWSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@@H]1CCCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903759120 635255824 /nfs/dbraw/zinc/25/58/24/635255824.db2.gz OXZIYNFSYKLKDZ-HUUCEWRRSA-N 2 1 266.429 2.267 20 0 CEADMP c1cncc([C@@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)c1 ZINC000903763201 635257012 /nfs/dbraw/zinc/25/70/12/635257012.db2.gz IHHXBVSLDVNTOG-GDBMZVCRSA-N 2 1 259.397 2.261 20 0 CEADMP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903769356 635259872 /nfs/dbraw/zinc/25/98/72/635259872.db2.gz DLJLJSZJGOZXHJ-CRWXNKLISA-N 2 1 286.366 2.017 20 0 CEADMP FC(F)(F)[C@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903777801 635265743 /nfs/dbraw/zinc/26/57/43/635265743.db2.gz GAWLOLNAQIJZOM-XQQFMLRXSA-N 2 1 292.345 2.029 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903788325 635271295 /nfs/dbraw/zinc/27/12/95/635271295.db2.gz IORNWWVOCXYNEG-WOPDTQHZSA-N 2 1 280.334 2.157 20 0 CEADMP Cc1ccc(F)cc1C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817756 635273614 /nfs/dbraw/zinc/27/36/14/635273614.db2.gz HLWKMEQMTCUDLY-UHFFFAOYSA-N 2 1 292.398 2.479 20 0 CEADMP Cc1ccc(F)cc1C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817756 635273621 /nfs/dbraw/zinc/27/36/21/635273621.db2.gz HLWKMEQMTCUDLY-UHFFFAOYSA-N 2 1 292.398 2.479 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2CCc1ccc2c(c1)CCO2 ZINC000903797404 635274454 /nfs/dbraw/zinc/27/44/54/635274454.db2.gz HIEQEHNNVMZKKG-AEFFLSMTSA-N 2 1 286.419 2.367 20 0 CEADMP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CCc1ccc2c(c1)CCO2 ZINC000903797404 635274458 /nfs/dbraw/zinc/27/44/58/635274458.db2.gz HIEQEHNNVMZKKG-AEFFLSMTSA-N 2 1 286.419 2.367 20 0 CEADMP Cc1cc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)ncn1 ZINC000903811521 635284708 /nfs/dbraw/zinc/28/47/08/635284708.db2.gz LYVQGHMPVWKPLI-HNNXBMFYSA-N 2 1 274.412 2.269 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)ncn1 ZINC000903811521 635284717 /nfs/dbraw/zinc/28/47/17/635284717.db2.gz LYVQGHMPVWKPLI-HNNXBMFYSA-N 2 1 274.412 2.269 20 0 CEADMP c1csc(C[C@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903831341 635295579 /nfs/dbraw/zinc/29/55/79/635295579.db2.gz IMRXXQURDPAJER-UONOGXRCSA-N 2 1 279.453 2.397 20 0 CEADMP c1csc(C[C@@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)n1 ZINC000903831587 635295776 /nfs/dbraw/zinc/29/57/76/635295776.db2.gz KGYURBLAZAZTHP-KBPBESRZSA-N 2 1 279.453 2.397 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCOc1ccc(F)cc1)C2 ZINC000903847485 635303370 /nfs/dbraw/zinc/30/33/70/635303370.db2.gz JREVXKJMBVWNOX-QEJZJMRPSA-N 2 1 278.371 2.406 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@H]1CCC2(CCC2)CO1 ZINC000903857293 635307234 /nfs/dbraw/zinc/30/72/34/635307234.db2.gz DBPPTFBHGMNCBY-SQWLQELKSA-N 2 1 264.413 2.149 20 0 CEADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@H]1CCC2(CCC2)CO1 ZINC000903857293 635307237 /nfs/dbraw/zinc/30/72/37/635307237.db2.gz DBPPTFBHGMNCBY-SQWLQELKSA-N 2 1 264.413 2.149 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2Cc1ccc2cc[nH]c2c1 ZINC000903857515 635307562 /nfs/dbraw/zinc/30/75/62/635307562.db2.gz FEQNAFKMMNWVBX-GDBMZVCRSA-N 2 1 255.365 2.481 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2Cc1ccc2cc[nH]c2c1 ZINC000903857515 635307567 /nfs/dbraw/zinc/30/75/67/635307567.db2.gz FEQNAFKMMNWVBX-GDBMZVCRSA-N 2 1 255.365 2.481 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCOCc1ccccc1 ZINC000903860947 635312882 /nfs/dbraw/zinc/31/28/82/635312882.db2.gz VCHFILSGSFKKIX-CVEARBPZSA-N 2 1 260.381 2.016 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCOCc1ccccc1 ZINC000903860947 635312888 /nfs/dbraw/zinc/31/28/88/635312888.db2.gz VCHFILSGSFKKIX-CVEARBPZSA-N 2 1 260.381 2.016 20 0 CEADMP Cc1noc([C@@H]2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903887332 635315205 /nfs/dbraw/zinc/31/52/05/635315205.db2.gz YTVAKJYJBQLJTM-NUDNTCICSA-N 2 1 290.411 2.088 20 0 CEADMP C[N@H+](CCCOc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC000903884520 635327419 /nfs/dbraw/zinc/32/74/19/635327419.db2.gz BQFRGZZLLYAYLM-GFCCVEGCSA-N 2 1 272.339 2.370 20 0 CEADMP C[N@@H+](CCCOc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC000903884520 635327424 /nfs/dbraw/zinc/32/74/24/635327424.db2.gz BQFRGZZLLYAYLM-GFCCVEGCSA-N 2 1 272.339 2.370 20 0 CEADMP C[N@H+](CCCOc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC000903884521 635327901 /nfs/dbraw/zinc/32/79/01/635327901.db2.gz BQFRGZZLLYAYLM-LBPRGKRZSA-N 2 1 272.339 2.370 20 0 CEADMP C[N@@H+](CCCOc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC000903884521 635327904 /nfs/dbraw/zinc/32/79/04/635327904.db2.gz BQFRGZZLLYAYLM-LBPRGKRZSA-N 2 1 272.339 2.370 20 0 CEADMP C([C@H]1CCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCCC1 ZINC000903887008 635327944 /nfs/dbraw/zinc/32/79/44/635327944.db2.gz WOYYOZWXITVPGL-HQSKLWIPSA-N 2 1 291.483 2.467 20 0 CEADMP CC1(C)CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903895023 635330510 /nfs/dbraw/zinc/33/05/10/635330510.db2.gz JPOMCRJKMUFRLJ-AWEZNQCLSA-N 2 1 291.443 2.215 20 0 CEADMP Cc1cccc(C)c1CC[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903922684 635351573 /nfs/dbraw/zinc/35/15/73/635351573.db2.gz BZIMSEQDAVUFCF-GFCCVEGCSA-N 2 1 256.340 2.418 20 0 CEADMP CC(C)([NH3+])CC[NH2+]Cc1cc(O)ccc1Br ZINC000903938875 635356901 /nfs/dbraw/zinc/35/69/01/635356901.db2.gz ODMCAXOPSTZZQL-UHFFFAOYSA-N 2 1 287.201 2.372 20 0 CEADMP NC[C@H]1c2ccccc2CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932417 635358548 /nfs/dbraw/zinc/35/85/48/635358548.db2.gz QWXSHYZKMCIWEL-NZZOQPFGSA-N 3 1 285.435 2.075 20 0 CEADMP [NH3+]C[C@H]1c2ccccc2CCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932417 635358553 /nfs/dbraw/zinc/35/85/53/635358553.db2.gz QWXSHYZKMCIWEL-NZZOQPFGSA-N 2 1 285.435 2.075 20 0 CEADMP COC(=O)C(C)(C)CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959150 635369623 /nfs/dbraw/zinc/36/96/23/635369623.db2.gz BPXHRZMHAQUEJN-INIZCTEOSA-N 2 1 282.428 2.041 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000903959978 635369820 /nfs/dbraw/zinc/36/98/20/635369820.db2.gz UHBQRZAVCPPMIX-INIZCTEOSA-N 2 1 275.396 2.061 20 0 CEADMP C([C@H]1CCSC1)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959758 635370140 /nfs/dbraw/zinc/37/01/40/635370140.db2.gz NSFNMOLMBCXKFU-KGLIPLIRSA-N 2 1 254.443 2.205 20 0 CEADMP COC(=O)C(C)(C)C[N@@H+](CC(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000903947686 635381305 /nfs/dbraw/zinc/38/13/05/635381305.db2.gz FDEDIIMVFKFFIO-INIZCTEOSA-N 2 1 284.444 2.143 20 0 CEADMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1F ZINC000903954560 635388205 /nfs/dbraw/zinc/38/82/05/635388205.db2.gz FFVPDXDMOUQNJO-NSHDSACASA-N 2 1 288.313 2.169 20 0 CEADMP C[C@H](CCC1CC1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972786 635391970 /nfs/dbraw/zinc/39/19/70/635391970.db2.gz LKZFFTYOLJUING-HIFRSBDPSA-N 2 1 266.429 2.313 20 0 CEADMP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903968338 635401142 /nfs/dbraw/zinc/40/11/42/635401142.db2.gz TUJIYCBMYARZBJ-MFKMUULPSA-N 2 1 296.798 2.072 20 0 CEADMP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000903986663 635405765 /nfs/dbraw/zinc/40/57/65/635405765.db2.gz OYBJVZQJBGTMDM-HWOWSKLDSA-N 3 1 265.445 2.125 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000904316613 635562950 /nfs/dbraw/zinc/56/29/50/635562950.db2.gz QXCZKQNKKGFFOZ-YESZJQIVSA-N 3 1 279.472 2.312 20 0 CEADMP [NH3+][C@H]1C[C@@H](CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000904316613 635562954 /nfs/dbraw/zinc/56/29/54/635562954.db2.gz QXCZKQNKKGFFOZ-YESZJQIVSA-N 2 1 279.472 2.312 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](Nc3ccccc3)C2)C1 ZINC000904324459 635570502 /nfs/dbraw/zinc/57/05/02/635570502.db2.gz GYOXUPPEOSUOQB-LZWOXQAQSA-N 2 1 259.397 2.300 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+](CCC(F)(F)F)CC2CC2)C1 ZINC000904327571 635573390 /nfs/dbraw/zinc/57/33/90/635573390.db2.gz FMYSNBRDBXGHEP-PHIMTYICSA-N 2 1 250.308 2.388 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)C1 ZINC000904340093 635578538 /nfs/dbraw/zinc/57/85/38/635578538.db2.gz CNKSDRSHGFULJX-XPKDYRNWSA-N 2 1 290.382 2.458 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)C1 ZINC000904344903 635581811 /nfs/dbraw/zinc/58/18/11/635581811.db2.gz AKVDMISQPNJOHS-IFUGULHKSA-N 2 1 282.334 2.075 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)C1 ZINC000904344903 635581817 /nfs/dbraw/zinc/58/18/17/635581817.db2.gz AKVDMISQPNJOHS-IFUGULHKSA-N 2 1 282.334 2.075 20 0 CEADMP CC(C)(C)CC[C@H](N)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000904350279 635583988 /nfs/dbraw/zinc/58/39/88/635583988.db2.gz JXLPAXFSEVVKDR-XHSDSOJGSA-N 2 1 281.488 2.462 20 0 CEADMP CC(C)(C)CC[C@H](N)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000904350279 635583990 /nfs/dbraw/zinc/58/39/90/635583990.db2.gz JXLPAXFSEVVKDR-XHSDSOJGSA-N 2 1 281.488 2.462 20 0 CEADMP c1cc2c(cc1C[N@@H+]1CC[C@@H]3[NH2+]CC[C@@H]3C1)CCCO2 ZINC000904351093 635585309 /nfs/dbraw/zinc/58/53/09/635585309.db2.gz UWFDUVUFVGBDAA-CVEARBPZSA-N 2 1 272.392 2.195 20 0 CEADMP c1cc2c(cc1C[N@H+]1CC[C@@H]3[NH2+]CC[C@@H]3C1)CCCO2 ZINC000904351093 635585319 /nfs/dbraw/zinc/58/53/19/635585319.db2.gz UWFDUVUFVGBDAA-CVEARBPZSA-N 2 1 272.392 2.195 20 0 CEADMP COc1ccc2c(c1)CC[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000904379977 635604830 /nfs/dbraw/zinc/60/48/30/635604830.db2.gz YTOOOAVKOGPEDY-KRWDZBQOSA-N 2 1 274.408 2.443 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000904379977 635604832 /nfs/dbraw/zinc/60/48/32/635604832.db2.gz YTOOOAVKOGPEDY-KRWDZBQOSA-N 2 1 274.408 2.443 20 0 CEADMP CCC1([NH3+])CC[NH+](Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000904386018 635608456 /nfs/dbraw/zinc/60/84/56/635608456.db2.gz MZADKXLNSOZTJR-UHFFFAOYSA-N 2 1 289.423 2.092 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000904405602 635612557 /nfs/dbraw/zinc/61/25/57/635612557.db2.gz KKUVKPJLJPTIEY-CYBMUJFWSA-N 2 1 270.380 2.247 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000904405602 635612561 /nfs/dbraw/zinc/61/25/61/635612561.db2.gz KKUVKPJLJPTIEY-CYBMUJFWSA-N 2 1 270.380 2.247 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000904405602 635612566 /nfs/dbraw/zinc/61/25/66/635612566.db2.gz KKUVKPJLJPTIEY-CYBMUJFWSA-N 2 1 270.380 2.247 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1F ZINC000904409647 635615218 /nfs/dbraw/zinc/61/52/18/635615218.db2.gz FHVKYKYXRJCDLV-NWDGAFQWSA-N 2 1 266.360 2.251 20 0 CEADMP COc1ccsc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904411069 635616772 /nfs/dbraw/zinc/61/67/72/635616772.db2.gz JMRKRHFHRXCJKH-GHMZBOCLSA-N 2 1 254.399 2.173 20 0 CEADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)ccc1C ZINC000904410254 635617242 /nfs/dbraw/zinc/61/72/42/635617242.db2.gz NIQALCFOEGLSNX-DZGCQCFKSA-N 2 1 262.397 2.420 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3c2NCC3)CC[C@@H]1C[NH3+] ZINC000904411971 635619271 /nfs/dbraw/zinc/61/92/71/635619271.db2.gz QUSVIDIVQFZCAJ-GXTWGEPZSA-N 2 1 259.397 2.071 20 0 CEADMP CCc1cnc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000904411421 635619304 /nfs/dbraw/zinc/61/93/04/635619304.db2.gz MKWAOIJWZGRVCE-MNOVXSKESA-N 2 1 253.415 2.122 20 0 CEADMP c1cc2c(cc1C[N@H+]1C[C@@H]3CC[NH2+]C[C@@H]3C1)CCCO2 ZINC000904420383 635631833 /nfs/dbraw/zinc/63/18/33/635631833.db2.gz MVHNUDOPEKCYGY-JKSUJKDBSA-N 2 1 272.392 2.053 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000904451165 635641915 /nfs/dbraw/zinc/64/19/15/635641915.db2.gz WRYQGHANIKBBQA-UHFFFAOYSA-N 2 1 260.259 2.166 20 0 CEADMP CC[C@](O)(C[NH2+]C1CC[NH+](CC2CC2)CC1)C(F)(F)F ZINC000905053904 635790013 /nfs/dbraw/zinc/79/00/13/635790013.db2.gz DEWPCLVVMQHGFM-ZDUSSCGKSA-N 2 1 294.361 2.154 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CC[NH2+]C(C)(C)C ZINC000826592998 635790900 /nfs/dbraw/zinc/79/09/00/635790900.db2.gz MGRVCDRRGLILJW-UHFFFAOYSA-N 2 1 271.449 2.001 20 0 CEADMP NC1(c2noc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)CC1 ZINC000905322186 636219178 /nfs/dbraw/zinc/21/91/78/636219178.db2.gz SBNFSPBKLCSAEH-AWEZNQCLSA-N 2 1 298.390 2.397 20 0 CEADMP [NH3+]C1(c2noc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)CC1 ZINC000905322186 636219180 /nfs/dbraw/zinc/21/91/80/636219180.db2.gz SBNFSPBKLCSAEH-AWEZNQCLSA-N 2 1 298.390 2.397 20 0 CEADMP [NH3+]C1(c2noc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)CC1 ZINC000905322186 636219185 /nfs/dbraw/zinc/21/91/85/636219185.db2.gz SBNFSPBKLCSAEH-AWEZNQCLSA-N 2 1 298.390 2.397 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1C=CCC1 ZINC000905417424 636266197 /nfs/dbraw/zinc/26/61/97/636266197.db2.gz LWLZYDYYQULWDE-RDJZCZTQSA-N 2 1 274.408 2.035 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1C=CCC1 ZINC000905417424 636266202 /nfs/dbraw/zinc/26/62/02/636266202.db2.gz LWLZYDYYQULWDE-RDJZCZTQSA-N 2 1 274.408 2.035 20 0 CEADMP CC[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CCO1 ZINC000827856418 636443367 /nfs/dbraw/zinc/44/33/67/636443367.db2.gz ORKNMVXIHJRBOW-BBWFWOEESA-N 2 1 298.471 2.234 20 0 CEADMP CC[C@](O)(C[NH2+]CCC[NH+]1CCCCC1)C(F)(F)F ZINC000905883478 636510265 /nfs/dbraw/zinc/51/02/65/636510265.db2.gz YRVSXIUSPFFHOK-LBPRGKRZSA-N 2 1 282.350 2.155 20 0 CEADMP CCOc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1OC(F)F ZINC000906507548 636757554 /nfs/dbraw/zinc/75/75/54/636757554.db2.gz AGCZJLSCMYYZNG-XYPYZODXSA-N 2 1 286.322 2.266 20 0 CEADMP C[C@@H](c1csnn1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000829443716 636849367 /nfs/dbraw/zinc/84/93/67/636849367.db2.gz BGDLNZWCLRHFLW-LBPRGKRZSA-N 2 1 280.441 2.407 20 0 CEADMP C[C@@H](c1csnn1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000829443716 636849371 /nfs/dbraw/zinc/84/93/71/636849371.db2.gz BGDLNZWCLRHFLW-LBPRGKRZSA-N 2 1 280.441 2.407 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCCc2ccccc21 ZINC000906787924 636852947 /nfs/dbraw/zinc/85/29/47/636852947.db2.gz IHPWXEORQSULLS-AEFFLSMTSA-N 2 1 288.435 2.453 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCCc2ccccc21 ZINC000906787924 636852948 /nfs/dbraw/zinc/85/29/48/636852948.db2.gz IHPWXEORQSULLS-AEFFLSMTSA-N 2 1 288.435 2.453 20 0 CEADMP O[C@@H](C[NH2+]C1(c2cccc(F)c2)CCC1)C[NH+]1CCCC1 ZINC000829721137 636916516 /nfs/dbraw/zinc/91/65/16/636916516.db2.gz SJEOJEIGRKOEKL-INIZCTEOSA-N 2 1 292.398 2.251 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000907960764 637181020 /nfs/dbraw/zinc/18/10/20/637181020.db2.gz XDKRGEICFHFWGX-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]CC)CC1 ZINC000832815300 637684587 /nfs/dbraw/zinc/68/45/87/637684587.db2.gz OMXVFGYGPOEIKQ-UHFFFAOYSA-N 2 1 297.487 2.347 20 0 CEADMP CC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)[C@@H](C)C1 ZINC000910289580 637980064 /nfs/dbraw/zinc/98/00/64/637980064.db2.gz SCOGOQYLJWTJKB-WCVJEAGWSA-N 2 1 295.471 2.190 20 0 CEADMP CC[C@](C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)OC ZINC000876951078 650501749 /nfs/dbraw/zinc/50/17/49/650501749.db2.gz CVYQYZQATIRXMW-MRXNPFEDSA-N 2 1 288.395 2.480 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2ccccc2C)C1 ZINC000058359633 639508988 /nfs/dbraw/zinc/50/89/88/639508988.db2.gz SKGQGBGPWIAHGR-HNNXBMFYSA-N 2 1 262.397 2.305 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2ccccc2C)C1 ZINC000058359633 639508993 /nfs/dbraw/zinc/50/89/93/639508993.db2.gz SKGQGBGPWIAHGR-HNNXBMFYSA-N 2 1 262.397 2.305 20 0 CEADMP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000227537318 639595459 /nfs/dbraw/zinc/59/54/59/639595459.db2.gz KYSKDGAPAFGECG-NCOADZHNSA-N 2 1 271.408 2.348 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000228226344 639625777 /nfs/dbraw/zinc/62/57/77/639625777.db2.gz ATOXBAHXRDUMGV-GARJFASQSA-N 2 1 250.308 2.388 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@H]21 ZINC000228471521 639636675 /nfs/dbraw/zinc/63/66/75/639636675.db2.gz ZMIQAEGRNAWSAP-DAXOMENPSA-N 2 1 278.371 2.264 20 0 CEADMP CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](CC)C1)OC ZINC000876988653 650521969 /nfs/dbraw/zinc/52/19/69/650521969.db2.gz ILQRKIMJHJJHEC-RRFJBIMHSA-N 2 1 256.434 2.369 20 0 CEADMP CC(C)([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000842207283 639977142 /nfs/dbraw/zinc/97/71/42/639977142.db2.gz NDICRJFMMHMEDS-LSDHHAIUSA-N 2 1 266.429 2.408 20 0 CEADMP CCc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000088760618 640009613 /nfs/dbraw/zinc/00/96/13/640009613.db2.gz MOTVWLYNVPMOLF-OAHLLOKOSA-N 2 1 274.412 2.316 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000842474648 640073525 /nfs/dbraw/zinc/07/35/25/640073525.db2.gz WOEIFMRNGMBSFU-CABCVRRESA-N 2 1 282.428 2.184 20 0 CEADMP C[C@@H](c1nc([C@@H]2CCC[NH2+]C2)no1)[NH+]1CCCCCC1 ZINC000842668490 640143018 /nfs/dbraw/zinc/14/30/18/640143018.db2.gz OOPUAOINRKARCP-QWHCGFSZSA-N 2 1 278.400 2.474 20 0 CEADMP Cc1nc2ccccn2c1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843055603 640257565 /nfs/dbraw/zinc/25/75/65/640257565.db2.gz HQABRMCHZUMUSF-UHFFFAOYSA-N 2 1 272.396 2.344 20 0 CEADMP c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc2c1COC2 ZINC000843120148 640289297 /nfs/dbraw/zinc/28/92/97/640289297.db2.gz BPTLNFVHHITNEY-UHFFFAOYSA-N 2 1 272.392 2.292 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H](CCC[NH3+])c2ccccc2)CC[NH2+]1 ZINC000843126021 640292205 /nfs/dbraw/zinc/29/22/05/640292205.db2.gz MLGFKHMHPOUPSO-BMFZPTHFSA-N 2 1 261.413 2.197 20 0 CEADMP CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C)C1 ZINC000843358466 640402124 /nfs/dbraw/zinc/40/21/24/640402124.db2.gz BJBNONCNIDWICY-OAHLLOKOSA-N 2 1 283.460 2.004 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000843362832 640405855 /nfs/dbraw/zinc/40/58/55/640405855.db2.gz SAQBRDITTIYGBP-KKUMJFAQSA-N 2 1 283.460 2.131 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000843362832 640405859 /nfs/dbraw/zinc/40/58/59/640405859.db2.gz SAQBRDITTIYGBP-KKUMJFAQSA-N 2 1 283.460 2.131 20 0 CEADMP Cn1cc(C[C@@H]2CC[N@@H+](CCCCCCC[NH3+])C2)cn1 ZINC000844221455 640636373 /nfs/dbraw/zinc/63/63/73/640636373.db2.gz NFYYSMGPILSZTK-HNNXBMFYSA-N 2 1 278.444 2.194 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H]1C ZINC000993810652 640680448 /nfs/dbraw/zinc/68/04/48/640680448.db2.gz XMYBGWDJIBJNCD-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993810652 640680449 /nfs/dbraw/zinc/68/04/49/640680449.db2.gz XMYBGWDJIBJNCD-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)CCCn1cc[nH+]c1C ZINC000930060428 641017259 /nfs/dbraw/zinc/01/72/59/641017259.db2.gz MGGILKULVGZVCJ-JSGCOSHPSA-N 2 1 281.400 2.101 20 0 CEADMP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000930060428 641017262 /nfs/dbraw/zinc/01/72/62/641017262.db2.gz MGGILKULVGZVCJ-JSGCOSHPSA-N 2 1 281.400 2.101 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000846175990 641213363 /nfs/dbraw/zinc/21/33/63/641213363.db2.gz AZRFYZGPTOPSSM-CQSZACIVSA-N 2 1 264.417 2.355 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000846175990 641213371 /nfs/dbraw/zinc/21/33/71/641213371.db2.gz AZRFYZGPTOPSSM-CQSZACIVSA-N 2 1 264.417 2.355 20 0 CEADMP Cc1nc([C@@H]2CCCC[N@@H+]2CCCCCC[NH3+])no1 ZINC000846218484 641226729 /nfs/dbraw/zinc/22/67/29/641226729.db2.gz PCFWUJVXIRJQAR-ZDUSSCGKSA-N 2 1 266.389 2.424 20 0 CEADMP Cc1nc([C@@H]2CCCC[N@H+]2CCCCCC[NH3+])no1 ZINC000846218484 641226731 /nfs/dbraw/zinc/22/67/31/641226731.db2.gz PCFWUJVXIRJQAR-ZDUSSCGKSA-N 2 1 266.389 2.424 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCCC2(CCOCC2)C1 ZINC000846219203 641227430 /nfs/dbraw/zinc/22/74/30/641227430.db2.gz KFPKHNQOCKGOHN-UHFFFAOYSA-N 2 1 254.418 2.398 20 0 CEADMP Cn1ccnc1[C@H]1CCC[N@@H+](CCCCCC[NH3+])C1 ZINC000846220715 641228835 /nfs/dbraw/zinc/22/88/35/641228835.db2.gz NNTBWHQKBNOEEC-AWEZNQCLSA-N 2 1 264.417 2.119 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000846220815 641229172 /nfs/dbraw/zinc/22/91/72/641229172.db2.gz VKPCXEBOORZQIH-INIZCTEOSA-N 3 1 267.461 2.456 20 0 CEADMP CC[C@H]1C[N@@H+](CCCCCC[NH3+])CCN1CC(F)F ZINC000846220078 641229544 /nfs/dbraw/zinc/22/95/44/641229544.db2.gz ASYHCXRVVQACIQ-ZDUSSCGKSA-N 2 1 277.403 2.167 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000846695150 641398238 /nfs/dbraw/zinc/39/82/38/641398238.db2.gz SQSLBEJLGHZZGM-CVEARBPZSA-N 2 1 297.487 2.474 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000180716913 641476504 /nfs/dbraw/zinc/47/65/04/641476504.db2.gz ABJOUEYQVSQCHC-UHTWSYAYSA-N 2 1 250.390 2.242 20 0 CEADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)CCC(C)(C)[NH3+] ZINC000070087327 641630669 /nfs/dbraw/zinc/63/06/69/641630669.db2.gz OIGFZBKVYZDMKC-UHFFFAOYSA-N 2 1 287.367 2.032 20 0 CEADMP Cc1noc([C@@H](C)[N@H+](C)CCCCCCC[NH3+])n1 ZINC000848600405 642073258 /nfs/dbraw/zinc/07/32/58/642073258.db2.gz OBLXOLYFBZHGKP-LLVKDONJSA-N 2 1 254.378 2.280 20 0 CEADMP Cc1noc([C@@H](C)[N@@H+](C)CCCCCCC[NH3+])n1 ZINC000848600405 642073266 /nfs/dbraw/zinc/07/32/66/642073266.db2.gz OBLXOLYFBZHGKP-LLVKDONJSA-N 2 1 254.378 2.280 20 0 CEADMP CC(C)[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997059386 642177777 /nfs/dbraw/zinc/17/77/77/642177777.db2.gz CJALBXQKGQDIPZ-INIZCTEOSA-N 2 1 295.471 2.238 20 0 CEADMP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000848981602 642203889 /nfs/dbraw/zinc/20/38/89/642203889.db2.gz BWFRODIBLOUVKL-STQMWFEESA-N 2 1 278.400 2.329 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cl)o1 ZINC000848982075 642204189 /nfs/dbraw/zinc/20/41/89/642204189.db2.gz SIUZDCXOVPBWKU-SNVBAGLBSA-N 2 1 284.791 2.031 20 0 CEADMP CC[C@@H](CNC(=[NH2+])N1CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000848987235 642209631 /nfs/dbraw/zinc/20/96/31/642209631.db2.gz UGHWVPYBSDZCHZ-INIZCTEOSA-N 2 1 286.423 2.053 20 0 CEADMP CC[C@@H](CNC(=[NH2+])N1CCC1)[N@H+]1CCc2ccccc2C1 ZINC000848987235 642209637 /nfs/dbraw/zinc/20/96/37/642209637.db2.gz UGHWVPYBSDZCHZ-INIZCTEOSA-N 2 1 286.423 2.053 20 0 CEADMP CCNC(=[NH2+])NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848990058 642210901 /nfs/dbraw/zinc/21/09/01/642210901.db2.gz VNLRTRCXZHWXMI-HOCLYGCPSA-N 2 1 288.439 2.421 20 0 CEADMP CC[C@H](C)NC(=[NH2+])NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000848989214 642211242 /nfs/dbraw/zinc/21/12/42/642211242.db2.gz GQIRAXAABCGEPJ-KBPBESRZSA-N 2 1 268.449 2.411 20 0 CEADMP CCCC[N@@H+](C)CCNC(=[NH2+])Nc1cccc(OC)c1 ZINC000849005550 642222100 /nfs/dbraw/zinc/22/21/00/642222100.db2.gz JFKRRTPIOAJBNI-UHFFFAOYSA-N 2 1 278.400 2.363 20 0 CEADMP Cc1ccc(CNC(=[NH2+])NCCCC[N@H+](C)C2CC2)cc1 ZINC000849039716 642250717 /nfs/dbraw/zinc/25/07/17/642250717.db2.gz OYMVBSJCSWKSDG-UHFFFAOYSA-N 2 1 288.439 2.483 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921617938 642264950 /nfs/dbraw/zinc/26/49/50/642264950.db2.gz GSUGGYGWPUMTCS-LBPRGKRZSA-N 2 1 289.379 2.353 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921617938 642264954 /nfs/dbraw/zinc/26/49/54/642264954.db2.gz GSUGGYGWPUMTCS-LBPRGKRZSA-N 2 1 289.379 2.353 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000921618652 642271540 /nfs/dbraw/zinc/27/15/40/642271540.db2.gz JZELUOQDFYWWCN-NQLMQOPMSA-N 2 1 278.440 2.120 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000921618656 642271614 /nfs/dbraw/zinc/27/16/14/642271614.db2.gz JZELUOQDFYWWCN-UTQGOSHXSA-N 2 1 278.440 2.120 20 0 CEADMP CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999974544 642524592 /nfs/dbraw/zinc/52/45/92/642524592.db2.gz PEHHFNQRBPNRQR-CVEARBPZSA-N 2 1 295.471 2.099 20 0 CEADMP Cc1[nH+]cc(CNc2ccccc2N2CC[NH+](C)CC2)n1C ZINC000850230373 642630026 /nfs/dbraw/zinc/63/00/26/642630026.db2.gz RYSMPDVNYOOUAK-UHFFFAOYSA-N 2 1 299.422 2.092 20 0 CEADMP CCC[N@@H+]1CC=C(CNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001000908600 642664160 /nfs/dbraw/zinc/66/41/60/642664160.db2.gz JZPABVWCTTWMSZ-UHFFFAOYSA-N 2 1 298.390 2.106 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cn1 ZINC000850425238 642708390 /nfs/dbraw/zinc/70/83/90/642708390.db2.gz KTGGPOZVBYARMZ-OAHLLOKOSA-N 2 1 298.390 2.377 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](O)c3ccccc32)[C@@H](C)C1 ZINC000850528312 642742584 /nfs/dbraw/zinc/74/25/84/642742584.db2.gz GXKSQYCQRQGWQH-KKBVYLPWSA-N 2 1 274.408 2.485 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](O)c3ccccc32)[C@@H](C)C1 ZINC000850528312 642742587 /nfs/dbraw/zinc/74/25/87/642742587.db2.gz GXKSQYCQRQGWQH-KKBVYLPWSA-N 2 1 274.408 2.485 20 0 CEADMP FC1(F)[C@@H]2CCCO[C@@]21C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000850532452 642744329 /nfs/dbraw/zinc/74/43/29/642744329.db2.gz LKVJTERTYRXSLU-KGLIPLIRSA-N 2 1 286.366 2.017 20 0 CEADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001002860189 642851521 /nfs/dbraw/zinc/85/15/21/642851521.db2.gz YWGQKISQMVUEOA-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@H](C)C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001003628458 642962741 /nfs/dbraw/zinc/96/27/41/642962741.db2.gz QCJVKAHMBDIFTI-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCc2ccccc2C1 ZINC000851774660 643155339 /nfs/dbraw/zinc/15/53/39/643155339.db2.gz ZGQFKTZELOREDR-ROUUACIJSA-N 2 1 290.451 2.177 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000851774660 643155343 /nfs/dbraw/zinc/15/53/43/643155343.db2.gz ZGQFKTZELOREDR-ROUUACIJSA-N 2 1 290.451 2.177 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000851774660 643155345 /nfs/dbraw/zinc/15/53/45/643155345.db2.gz ZGQFKTZELOREDR-ROUUACIJSA-N 2 1 290.451 2.177 20 0 CEADMP CO[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000851784168 643161059 /nfs/dbraw/zinc/16/10/59/643161059.db2.gz HSOZEKLOVVXZNW-BZUAXINKSA-N 2 1 266.429 2.362 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2COC(C)(C)O2)C[C@@H]1C ZINC000851797891 643168277 /nfs/dbraw/zinc/16/82/77/643168277.db2.gz XCKQSCJXZZJTNT-SOUVJXGZSA-N 2 1 284.444 2.333 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2COC(C)(C)O2)C[C@@H]1C ZINC000851797891 643168282 /nfs/dbraw/zinc/16/82/82/643168282.db2.gz XCKQSCJXZZJTNT-SOUVJXGZSA-N 2 1 284.444 2.333 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2COC(C)(C)O2)C[C@@H]1C ZINC000851797891 643168285 /nfs/dbraw/zinc/16/82/85/643168285.db2.gz XCKQSCJXZZJTNT-SOUVJXGZSA-N 2 1 284.444 2.333 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H]2COC(C)(C)O2)[C@@H](C)C1 ZINC000851846555 643189206 /nfs/dbraw/zinc/18/92/06/643189206.db2.gz AZHGKFKDSPTDGA-ZNMIVQPWSA-N 2 1 284.444 2.190 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H]2COC(C)(C)O2)[C@@H](C)C1 ZINC000851846555 643189210 /nfs/dbraw/zinc/18/92/10/643189210.db2.gz AZHGKFKDSPTDGA-ZNMIVQPWSA-N 2 1 284.444 2.190 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H]2COC(C)(C)O2)[C@@H](C)C1 ZINC000851846555 643189216 /nfs/dbraw/zinc/18/92/16/643189216.db2.gz AZHGKFKDSPTDGA-ZNMIVQPWSA-N 2 1 284.444 2.190 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C[NH+](C)C ZINC000922756180 643246407 /nfs/dbraw/zinc/24/64/07/643246407.db2.gz MIBKAOJFCSDTRL-LXTVHRRPSA-N 2 1 254.418 2.121 20 0 CEADMP CCO[C@@H](CNCc1cccc2cc[nH]c21)C[NH+](C)C ZINC000922756089 643246637 /nfs/dbraw/zinc/24/66/37/643246637.db2.gz FJJXVAOPNXIDOU-HNNXBMFYSA-N 2 1 275.396 2.224 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)O2)CC1(C)C ZINC000922813035 643274255 /nfs/dbraw/zinc/27/42/55/643274255.db2.gz UCSQKBXJQBEYIF-GJZGRUSLSA-N 2 1 296.455 2.177 20 0 CEADMP CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001004935536 643364202 /nfs/dbraw/zinc/36/42/02/643364202.db2.gz DBOHIFCOBFDGLQ-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CCCC2(CCCC2)C1 ZINC000852750207 643534794 /nfs/dbraw/zinc/53/47/94/643534794.db2.gz NVESOAIZLDGUQY-CQSZACIVSA-N 2 1 264.413 2.164 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC2SCCS2)C1 ZINC000853023458 643623967 /nfs/dbraw/zinc/62/39/67/643623967.db2.gz XQAIOYNVMWPYLZ-NSHDSACASA-N 2 1 260.472 2.243 20 0 CEADMP C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)C1SCCS1 ZINC000853023343 643624220 /nfs/dbraw/zinc/62/42/20/643624220.db2.gz UELXXXWQVHZOBG-CYBMUJFWSA-N 2 1 272.483 2.258 20 0 CEADMP C[C@@H](N)[C@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923279314 643635992 /nfs/dbraw/zinc/63/59/92/643635992.db2.gz KPYSCONSIFVLSX-MOTUXRJWSA-N 2 1 265.445 2.109 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923279314 643635997 /nfs/dbraw/zinc/63/59/97/643635997.db2.gz KPYSCONSIFVLSX-MOTUXRJWSA-N 2 1 265.445 2.109 20 0 CEADMP c1ccc2c(c1)OC[C@H](C[N@H+](C1CC1)C1CC[NH2+]CC1)O2 ZINC000923282926 643638691 /nfs/dbraw/zinc/63/86/91/643638691.db2.gz VSJDTBRXJKGGBT-HNNXBMFYSA-N 2 1 288.391 2.043 20 0 CEADMP c1ccc2c(c1)OC[C@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)O2 ZINC000923282926 643638695 /nfs/dbraw/zinc/63/86/95/643638695.db2.gz VSJDTBRXJKGGBT-HNNXBMFYSA-N 2 1 288.391 2.043 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@H](O)CCc2ccccc2)[C@@H]1C[NH3+] ZINC000923289890 643643469 /nfs/dbraw/zinc/64/34/69/643643469.db2.gz UQULMEQTBLMHFD-DJIMGWMZSA-N 2 1 276.424 2.039 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H](O)CCc2ccccc2)[C@@H]1C[NH3+] ZINC000923289890 643643474 /nfs/dbraw/zinc/64/34/74/643643474.db2.gz UQULMEQTBLMHFD-DJIMGWMZSA-N 2 1 276.424 2.039 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)CC(C)(C)C[NH3+] ZINC000923294421 643646465 /nfs/dbraw/zinc/64/64/65/643646465.db2.gz LILGBUUBKSNHNT-ZDUSSCGKSA-N 2 1 288.794 2.429 20 0 CEADMP C[N@@H+](C[C@@H](O)CCc1ccccc1)C1CCC([NH3+])CC1 ZINC000923294985 643647134 /nfs/dbraw/zinc/64/71/34/643647134.db2.gz RZKMBOZRWPUOBT-JCYILVPMSA-N 2 1 276.424 2.182 20 0 CEADMP c1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923301730 643649416 /nfs/dbraw/zinc/64/94/16/643649416.db2.gz NQNJXTAZMZKAEN-HOTGVXAUSA-N 2 1 272.392 2.202 20 0 CEADMP c1csc(C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C2CC2)c1 ZINC000923303686 643652245 /nfs/dbraw/zinc/65/22/45/643652245.db2.gz IDNHYFCAJFKGKI-CYBMUJFWSA-N 2 1 278.421 2.091 20 0 CEADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000923317252 643655824 /nfs/dbraw/zinc/65/58/24/643655824.db2.gz CSUDJALLYFMQNE-ULQDDVLXSA-N 2 1 282.387 2.216 20 0 CEADMP CCc1onc(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000923332265 643664733 /nfs/dbraw/zinc/66/47/33/643664733.db2.gz KRFQFHMUJGGVGG-FPMFFAJLSA-N 2 1 263.385 2.105 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H](O)c3ccc(F)cc3Cl)C[C@@H]12 ZINC000923333723 643666103 /nfs/dbraw/zinc/66/61/03/643666103.db2.gz RREALFOQMJAEMS-VHIFSBLJSA-N 2 1 298.789 2.182 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3Cl)C[C@@H]12 ZINC000923333723 643666106 /nfs/dbraw/zinc/66/61/06/643666106.db2.gz RREALFOQMJAEMS-VHIFSBLJSA-N 2 1 298.789 2.182 20 0 CEADMP CC[C@H](O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923341534 643674292 /nfs/dbraw/zinc/67/42/92/643674292.db2.gz MBARUUVLZBLDAT-LSDHHAIUSA-N 2 1 294.464 2.463 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000923347149 643676099 /nfs/dbraw/zinc/67/60/99/643676099.db2.gz YLEAAHLQPWFLMO-QLFBSQMISA-N 2 1 256.434 2.377 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366914 643682003 /nfs/dbraw/zinc/68/20/03/643682003.db2.gz PVRXDFKTSYEERW-JKSUJKDBSA-N 2 1 268.445 2.393 20 0 CEADMP C(C[N@H+]1CCOCC2(CCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923375565 643684965 /nfs/dbraw/zinc/68/49/65/643684965.db2.gz ANBJLNHXHVEARV-MQVJKMGUSA-N 2 1 278.440 2.410 20 0 CEADMP CCN1C[C@@H](C)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000923374566 643685239 /nfs/dbraw/zinc/68/52/39/643685239.db2.gz ZOVBQPHIQSVUFG-DQIHPLBOSA-N 2 1 279.472 2.322 20 0 CEADMP CC[N@@H+]1C[C@@H](C)N(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000923374566 643685246 /nfs/dbraw/zinc/68/52/46/643685246.db2.gz ZOVBQPHIQSVUFG-DQIHPLBOSA-N 2 1 279.472 2.322 20 0 CEADMP CC[N@H+]1C[C@@H](C)N(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000923374566 643685249 /nfs/dbraw/zinc/68/52/49/643685249.db2.gz ZOVBQPHIQSVUFG-DQIHPLBOSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000923382034 643688788 /nfs/dbraw/zinc/68/87/88/643688788.db2.gz IQRGLCJMFWJWLS-TWJWRFFLSA-N 2 1 280.387 2.164 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)[C@H]1CC[NH3+] ZINC000923385351 643691338 /nfs/dbraw/zinc/69/13/38/643691338.db2.gz ADLDXSKAEUJSLU-KCXAZCMYSA-N 2 1 280.387 2.308 20 0 CEADMP CCc1onc(C)c1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000923388066 643692376 /nfs/dbraw/zinc/69/23/76/643692376.db2.gz QSTLYOKUTCBWSC-RISCZKNCSA-N 2 1 265.401 2.495 20 0 CEADMP CCC[N@H+](Cc1ccccc1F)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923388846 643693822 /nfs/dbraw/zinc/69/38/22/643693822.db2.gz KAUKJPSCVJTROH-OAHLLOKOSA-N 2 1 292.398 2.416 20 0 CEADMP OCCC[N@@H+](CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000923388661 643693951 /nfs/dbraw/zinc/69/39/51/643693951.db2.gz QJLLXVYSXIMAAR-UHFFFAOYSA-N 2 1 262.397 2.013 20 0 CEADMP C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923393191 643694593 /nfs/dbraw/zinc/69/45/93/643694593.db2.gz ZCVNNUVVJTZFNS-MKXAEBJUSA-N 2 1 280.456 2.390 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426391 643706485 /nfs/dbraw/zinc/70/64/85/643706485.db2.gz CPRHMWJDJQFCOB-HOTGVXAUSA-N 2 1 268.445 2.249 20 0 CEADMP Cc1nc([C@@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)no1 ZINC000923427920 643707357 /nfs/dbraw/zinc/70/73/57/643707357.db2.gz FHPDTFHUPUELEE-NUDNTCICSA-N 2 1 290.411 2.088 20 0 CEADMP C[NH2+]CCC[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000923438084 643710097 /nfs/dbraw/zinc/71/00/97/643710097.db2.gz BGDDBMINFYYECD-UHFFFAOYSA-N 2 1 279.453 2.421 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000923479131 643731026 /nfs/dbraw/zinc/73/10/26/643731026.db2.gz MAVDOWNGIJUQJQ-NSHDSACASA-N 2 1 261.394 2.467 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CCc2cccc3c2OC(F)(F)O3)C1 ZINC000923479152 643731194 /nfs/dbraw/zinc/73/11/94/643731194.db2.gz MQAHUYAFAQUOBQ-NSHDSACASA-N 2 1 298.333 2.221 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(Cl)n1 ZINC000923494812 643738350 /nfs/dbraw/zinc/73/83/50/643738350.db2.gz OXUCQTLGLBASRJ-ZYHUDNBSSA-N 2 1 267.804 2.460 20 0 CEADMP C[C@H]1C[N@H+](Cc2noc(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000923497362 643739134 /nfs/dbraw/zinc/73/91/34/643739134.db2.gz BZSOBUUNXROPCB-JSGCOSHPSA-N 2 1 286.379 2.153 20 0 CEADMP C[C@H]1C[N@@H+](Cc2noc(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000923497362 643739136 /nfs/dbraw/zinc/73/91/36/643739136.db2.gz BZSOBUUNXROPCB-JSGCOSHPSA-N 2 1 286.379 2.153 20 0 CEADMP Cc1cccc2nc(C[N@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cn21 ZINC000923497450 643739756 /nfs/dbraw/zinc/73/97/56/643739756.db2.gz FKZQAKVLJPGMNA-GXTWGEPZSA-N 2 1 272.396 2.059 20 0 CEADMP COc1ccc(OCCC[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923500189 643741411 /nfs/dbraw/zinc/74/14/11/643741411.db2.gz OYBQIELXGWLJLN-HUUCEWRRSA-N 2 1 292.423 2.381 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2F)CC[C@H]1C[NH3+] ZINC000923500948 643741832 /nfs/dbraw/zinc/74/18/32/643741832.db2.gz SJVTXCFFRWJCAV-OLZOCXBDSA-N 2 1 293.386 2.071 20 0 CEADMP Fc1ccc2c(c1)[C@@H]([N@H+]1C[C@@H]3CC[NH2+]C[C@@H]3C1)CC2 ZINC000923517563 643748654 /nfs/dbraw/zinc/74/86/54/643748654.db2.gz FAVZUXBUWBDINE-ZENOOKHLSA-N 2 1 260.356 2.354 20 0 CEADMP FC(F)(F)CCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521184 643749291 /nfs/dbraw/zinc/74/92/91/643749291.db2.gz JZGIOCYTVHJAIY-WDEREUQCSA-N 2 1 250.308 2.260 20 0 CEADMP CCO[C@H](C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)C1CC1 ZINC000923533961 643754187 /nfs/dbraw/zinc/75/41/87/643754187.db2.gz PNUXEEZCWFHPHY-CABCVRRESA-N 2 1 252.402 2.020 20 0 CEADMP CCO[C@H](C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)C1CC1 ZINC000923533961 643754191 /nfs/dbraw/zinc/75/41/91/643754191.db2.gz PNUXEEZCWFHPHY-CABCVRRESA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)C[C@H]1CN(C)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000923553337 643759312 /nfs/dbraw/zinc/75/93/12/643759312.db2.gz HJWXGHIIKCMNPY-CVEARBPZSA-N 2 1 267.461 2.038 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CC3CCSCC3)CC[C@H]21 ZINC000877739829 650882188 /nfs/dbraw/zinc/88/21/88/650882188.db2.gz HKFNGXBSNXJJCM-ZIAGYGMSSA-N 2 1 254.443 2.156 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CCSCC3)CC[C@H]21 ZINC000877739829 650882190 /nfs/dbraw/zinc/88/21/90/650882190.db2.gz HKFNGXBSNXJJCM-ZIAGYGMSSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CCSCC3)CC[C@H]21 ZINC000877739829 650882191 /nfs/dbraw/zinc/88/21/91/650882191.db2.gz HKFNGXBSNXJJCM-ZIAGYGMSSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CCSCC3)CC[C@H]21 ZINC000877739829 650882193 /nfs/dbraw/zinc/88/21/93/650882193.db2.gz HKFNGXBSNXJJCM-ZIAGYGMSSA-N 2 1 254.443 2.156 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000877744413 650890464 /nfs/dbraw/zinc/89/04/64/650890464.db2.gz SQWHZPAIUJRNPM-FUHWJXTLSA-N 2 1 296.418 2.398 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000877744413 650890465 /nfs/dbraw/zinc/89/04/65/650890465.db2.gz SQWHZPAIUJRNPM-FUHWJXTLSA-N 2 1 296.418 2.398 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000877744413 650890468 /nfs/dbraw/zinc/89/04/68/650890468.db2.gz SQWHZPAIUJRNPM-FUHWJXTLSA-N 2 1 296.418 2.398 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000877744413 650890470 /nfs/dbraw/zinc/89/04/70/650890470.db2.gz SQWHZPAIUJRNPM-FUHWJXTLSA-N 2 1 296.418 2.398 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000754197442 644340470 /nfs/dbraw/zinc/34/04/70/644340470.db2.gz TXXDIKNORZYFEU-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CC)[C@@H](C)C1 ZINC000754197442 644340463 /nfs/dbraw/zinc/34/04/63/644340463.db2.gz TXXDIKNORZYFEU-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CC)[C@@H](C)C1 ZINC000754197442 644340465 /nfs/dbraw/zinc/34/04/65/644340465.db2.gz TXXDIKNORZYFEU-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000754197442 644340482 /nfs/dbraw/zinc/34/04/82/644340482.db2.gz TXXDIKNORZYFEU-HNNXBMFYSA-N 2 1 283.460 2.051 20 0 CEADMP C[C@H](O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000754787353 644430432 /nfs/dbraw/zinc/43/04/32/644430432.db2.gz VRDYNVFORXBWCD-RRQGHBQHSA-N 2 1 274.408 2.456 20 0 CEADMP Cc1c(Cl)cnn1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000755777584 644561664 /nfs/dbraw/zinc/56/16/64/644561664.db2.gz HRPRWKVSEAAVTQ-CQSZACIVSA-N 2 1 296.846 2.466 20 0 CEADMP Cc1c(Cl)cnn1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000755777584 644561668 /nfs/dbraw/zinc/56/16/68/644561668.db2.gz HRPRWKVSEAAVTQ-CQSZACIVSA-N 2 1 296.846 2.466 20 0 CEADMP CCC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591035 644696194 /nfs/dbraw/zinc/69/61/94/644696194.db2.gz HASSBXSQHFRHOR-MRXNPFEDSA-N 2 1 277.412 2.396 20 0 CEADMP CCC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856591035 644696199 /nfs/dbraw/zinc/69/61/99/644696199.db2.gz HASSBXSQHFRHOR-MRXNPFEDSA-N 2 1 277.412 2.396 20 0 CEADMP CCC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856591035 644696203 /nfs/dbraw/zinc/69/62/03/644696203.db2.gz HASSBXSQHFRHOR-MRXNPFEDSA-N 2 1 277.412 2.396 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](CCOc2ccccc2C)C1 ZINC000011888934 644948871 /nfs/dbraw/zinc/94/88/71/644948871.db2.gz SKGQGBGPWIAHGR-OAHLLOKOSA-N 2 1 262.397 2.305 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2ccccc2C)C1 ZINC000011888934 644948873 /nfs/dbraw/zinc/94/88/73/644948873.db2.gz SKGQGBGPWIAHGR-OAHLLOKOSA-N 2 1 262.397 2.305 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000858144617 645074330 /nfs/dbraw/zinc/07/43/30/645074330.db2.gz RYRCJOFKAQZWHR-QWHCGFSZSA-N 2 1 266.385 2.084 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)o1 ZINC000858144617 645074334 /nfs/dbraw/zinc/07/43/34/645074334.db2.gz RYRCJOFKAQZWHR-QWHCGFSZSA-N 2 1 266.385 2.084 20 0 CEADMP C[N@H+]1CC[C@H](Nc2cc[nH+]c(CO)c2)[C@@H]1c1ccccc1 ZINC000858459782 645168649 /nfs/dbraw/zinc/16/86/49/645168649.db2.gz KQZKAJVLOLVLGN-IRXDYDNUSA-N 2 1 283.375 2.431 20 0 CEADMP C[NH+](C[C@H]1CCC2(CCC2)O1)C[C@H]1CCC[N@@H+](C)C1 ZINC000878124399 651006999 /nfs/dbraw/zinc/00/69/99/651006999.db2.gz HIXAZRNUPZPNGO-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)[C@H](O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000878135692 651011477 /nfs/dbraw/zinc/01/14/77/651011477.db2.gz XWXCSTHYAGZBOA-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000765293025 645753739 /nfs/dbraw/zinc/75/37/39/645753739.db2.gz YDBKDFGJKKLDGW-GOSISDBHSA-N 2 1 288.435 2.419 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@@H](O)C(C)C)[C@H](C)C1 ZINC000878257236 651046916 /nfs/dbraw/zinc/04/69/16/651046916.db2.gz FWJSVIMHCCSJLM-QLFBSQMISA-N 2 1 256.434 2.056 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@@H](O)C(C)C)[C@H](C)C1 ZINC000878257236 651046918 /nfs/dbraw/zinc/04/69/18/651046918.db2.gz FWJSVIMHCCSJLM-QLFBSQMISA-N 2 1 256.434 2.056 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@@H](O)C(C)C)[C@H](C)C1 ZINC000878257236 651046919 /nfs/dbraw/zinc/04/69/19/651046919.db2.gz FWJSVIMHCCSJLM-QLFBSQMISA-N 2 1 256.434 2.056 20 0 CEADMP CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000878287289 651053293 /nfs/dbraw/zinc/05/32/93/651053293.db2.gz YJFUJDSUVUKQTR-XJNFMUPTSA-N 2 1 278.440 2.360 20 0 CEADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000878287289 651053294 /nfs/dbraw/zinc/05/32/94/651053294.db2.gz YJFUJDSUVUKQTR-XJNFMUPTSA-N 2 1 278.440 2.360 20 0 CEADMP CO[C@H]1C[C@@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000878287289 651053296 /nfs/dbraw/zinc/05/32/96/651053296.db2.gz YJFUJDSUVUKQTR-XJNFMUPTSA-N 2 1 278.440 2.360 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000767881005 646050899 /nfs/dbraw/zinc/05/08/99/646050899.db2.gz FBQFDHBKACDOSZ-QZTJIDSGSA-N 2 1 288.435 2.280 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000767881005 646050901 /nfs/dbraw/zinc/05/09/01/646050901.db2.gz FBQFDHBKACDOSZ-QZTJIDSGSA-N 2 1 288.435 2.280 20 0 CEADMP FC(F)C1CC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000769516872 646279996 /nfs/dbraw/zinc/27/99/96/646279996.db2.gz KCAWBNWXCGTNHT-UBHUBRDASA-N 2 1 288.382 2.263 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnc(F)c2C)C1 ZINC000862272123 646386811 /nfs/dbraw/zinc/38/68/11/646386811.db2.gz FOOZQZLMKAWIBV-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccnc(F)c2C)C1 ZINC000862272123 646386817 /nfs/dbraw/zinc/38/68/17/646386817.db2.gz FOOZQZLMKAWIBV-CYBMUJFWSA-N 2 1 265.376 2.351 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2nc3c(s2)CCC3)[C@@H](C)C1 ZINC000771844133 646558668 /nfs/dbraw/zinc/55/86/68/646558668.db2.gz WEEFTBHNOIXYTL-RYUDHWBXSA-N 2 1 279.453 2.452 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(CO)ccc1F ZINC000863541592 646751177 /nfs/dbraw/zinc/75/11/77/646751177.db2.gz JVLSYHRBINZFAU-GOOCMWNKSA-N 2 1 278.371 2.162 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(CO)ccc1F ZINC000863541592 646751180 /nfs/dbraw/zinc/75/11/80/646751180.db2.gz JVLSYHRBINZFAU-GOOCMWNKSA-N 2 1 278.371 2.162 20 0 CEADMP Cn1nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000863544075 646752603 /nfs/dbraw/zinc/75/26/03/646752603.db2.gz KHISAROMLYYSIA-STQMWFEESA-N 2 1 296.846 2.285 20 0 CEADMP Cn1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000863544075 646752606 /nfs/dbraw/zinc/75/26/06/646752606.db2.gz KHISAROMLYYSIA-STQMWFEESA-N 2 1 296.846 2.285 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC000774910809 646908019 /nfs/dbraw/zinc/90/80/19/646908019.db2.gz SKQLFELEFHWJJB-CVEARBPZSA-N 2 1 282.428 2.112 20 0 CEADMP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775362048 646945811 /nfs/dbraw/zinc/94/58/11/646945811.db2.gz FAQSPFIPFXMHPM-GRYCIOLGSA-N 2 1 274.499 2.296 20 0 CEADMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])N[C@H]2C[C@H]2C)c1 ZINC000864456899 647011492 /nfs/dbraw/zinc/01/14/92/647011492.db2.gz OLMKCSSXUGRMLZ-DOMZBBRYSA-N 2 1 274.412 2.161 20 0 CEADMP CCC(CC)NC(=[NH2+])NCCCC[N@@H+](C)C1CC1 ZINC000864466024 647020196 /nfs/dbraw/zinc/02/01/96/647020196.db2.gz GHLAPXCYVIIERG-UHFFFAOYSA-N 2 1 254.422 2.163 20 0 CEADMP CC/C=C(/F)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000864984693 647147110 /nfs/dbraw/zinc/14/71/10/647147110.db2.gz ZPAPJIFGSPSBSR-UUILKARUSA-N 2 1 292.358 2.035 20 0 CEADMP CCCn1cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)nn1 ZINC000865414477 647283245 /nfs/dbraw/zinc/28/32/45/647283245.db2.gz DDNCYYHRWYZLNQ-HNNXBMFYSA-N 2 1 293.459 2.432 20 0 CEADMP C[N@H+]1CCC[C@H]1CNc1cc[nH+]cc1C(F)(F)F ZINC000865466805 647307918 /nfs/dbraw/zinc/30/79/18/647307918.db2.gz OKIGXOKKNIIDQH-VIFPVBQESA-N 2 1 259.275 2.028 20 0 CEADMP C[C@@H](CCO)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000779340122 647313606 /nfs/dbraw/zinc/31/36/06/647313606.db2.gz GRTOJPDQUMWSRD-ZNMIVQPWSA-N 2 1 256.434 2.105 20 0 CEADMP CN(C)c1ccc(F)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000865522158 647337649 /nfs/dbraw/zinc/33/76/49/647337649.db2.gz LRNCSNFZBBRMGK-UHFFFAOYSA-N 2 1 277.387 2.243 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC000865805470 647470149 /nfs/dbraw/zinc/47/01/49/647470149.db2.gz ZYBLUIDZKOIENF-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC000865805470 647470151 /nfs/dbraw/zinc/47/01/51/647470151.db2.gz ZYBLUIDZKOIENF-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865805470 647470155 /nfs/dbraw/zinc/47/01/55/647470155.db2.gz ZYBLUIDZKOIENF-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000865805470 647470157 /nfs/dbraw/zinc/47/01/57/647470157.db2.gz ZYBLUIDZKOIENF-PVAVHDDUSA-N 2 1 279.472 2.323 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866250858 647694794 /nfs/dbraw/zinc/69/47/94/647694794.db2.gz ITBPNEFADKNADR-ZDUSSCGKSA-N 2 1 258.369 2.197 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C)CC1 ZINC000783243967 647700555 /nfs/dbraw/zinc/70/05/55/647700555.db2.gz QCHVRSRFGUDRLL-ZFWWWQNUSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000866263167 647703214 /nfs/dbraw/zinc/70/32/14/647703214.db2.gz NNKNHFOJDAVGCN-HOCLYGCPSA-N 2 1 261.413 2.334 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CCOCC1 ZINC000866267041 647705889 /nfs/dbraw/zinc/70/58/89/647705889.db2.gz YSEAQZIHGHNRLT-JKSUJKDBSA-N 2 1 296.455 2.035 20 0 CEADMP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000783291488 647706410 /nfs/dbraw/zinc/70/64/10/647706410.db2.gz PIEXSIDZXRMFTB-XYPHTWIQSA-N 2 1 274.408 2.141 20 0 CEADMP C[N@H+]1CC[C@@H]2CN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000866584609 647832805 /nfs/dbraw/zinc/83/28/05/647832805.db2.gz OYVIEQGOGXSNJK-QRVBRYPASA-N 2 1 299.462 2.287 20 0 CEADMP C[NH+]1CC[C@@H]2CN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000866584609 647832808 /nfs/dbraw/zinc/83/28/08/647832808.db2.gz OYVIEQGOGXSNJK-QRVBRYPASA-N 2 1 299.462 2.287 20 0 CEADMP C[NH+]1CC[C@@H]2CN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000866584609 647832811 /nfs/dbraw/zinc/83/28/11/647832811.db2.gz OYVIEQGOGXSNJK-QRVBRYPASA-N 2 1 299.462 2.287 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000866665559 647861601 /nfs/dbraw/zinc/86/16/01/647861601.db2.gz XWYZYLPLOUCCTO-NVXWUHKLSA-N 2 1 289.423 2.383 20 0 CEADMP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000866665559 647861605 /nfs/dbraw/zinc/86/16/05/647861605.db2.gz XWYZYLPLOUCCTO-NVXWUHKLSA-N 2 1 289.423 2.383 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)CC(C)(C)C ZINC000866665578 647861632 /nfs/dbraw/zinc/86/16/32/647861632.db2.gz FIRPKRMOIHYUTB-ZFWWWQNUSA-N 2 1 293.459 2.446 20 0 CEADMP CC1([NH+]2CCCC2)CCN(CCCCCC[NH3+])CC1 ZINC000866672494 647863110 /nfs/dbraw/zinc/86/31/10/647863110.db2.gz MTCLBYDNOWEFCK-UHFFFAOYSA-N 2 1 267.461 2.456 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703644 647875782 /nfs/dbraw/zinc/87/57/82/647875782.db2.gz NJBIVJVGTKOTMB-OAHLLOKOSA-N 2 1 265.401 2.488 20 0 CEADMP OCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CC[NH2+]CC1 ZINC000866727974 647884811 /nfs/dbraw/zinc/88/48/11/647884811.db2.gz WDDHUNPSHLVFTH-ALOPSCKCSA-N 2 1 280.456 2.392 20 0 CEADMP C1CCC([NH+]2CCC([N@@H+]3CCCOCC3)CC2)C1 ZINC000786673052 648035461 /nfs/dbraw/zinc/03/54/61/648035461.db2.gz ZSKNLJVODZXEMI-UHFFFAOYSA-N 2 1 252.402 2.116 20 0 CEADMP C1CCC([NH+]2CCC([N@H+]3CCCOCC3)CC2)C1 ZINC000786673052 648035467 /nfs/dbraw/zinc/03/54/67/648035467.db2.gz ZSKNLJVODZXEMI-UHFFFAOYSA-N 2 1 252.402 2.116 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870867987 648937737 /nfs/dbraw/zinc/93/77/37/648937737.db2.gz XEMJZYWCSRQYFL-HRCADAONSA-N 2 1 295.471 2.132 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871156326 649016374 /nfs/dbraw/zinc/01/63/74/649016374.db2.gz WPSWVRNWZSLNFA-ZDUSSCGKSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCO1 ZINC000872032920 649247727 /nfs/dbraw/zinc/24/77/27/649247727.db2.gz CCGCXWOPEJECLA-FPCVCCKLSA-N 2 1 296.455 2.033 20 0 CEADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCO1 ZINC000872032920 649247731 /nfs/dbraw/zinc/24/77/31/649247731.db2.gz CCGCXWOPEJECLA-FPCVCCKLSA-N 2 1 296.455 2.033 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)[C@H]1CCCOC1 ZINC000872035805 649248974 /nfs/dbraw/zinc/24/89/74/649248974.db2.gz NLHCCDMREPCSLG-ULQDDVLXSA-N 2 1 298.471 2.018 20 0 CEADMP CC(C)OC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCC1 ZINC000872115575 649282414 /nfs/dbraw/zinc/28/24/14/649282414.db2.gz DDZAEPWMEINBTA-KGLIPLIRSA-N 2 1 254.418 2.406 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](O)c1ccccc1 ZINC000872138862 649289321 /nfs/dbraw/zinc/28/93/21/649289321.db2.gz ZXXFAOOWEGHSHW-HOTGVXAUSA-N 2 1 262.397 2.182 20 0 CEADMP C[C@@H]1CCC[N@H+](C[C@H]2CC3(CCC3)CO2)[C@@H]1C[NH3+] ZINC000872141758 649291277 /nfs/dbraw/zinc/29/12/77/649291277.db2.gz SDHLGNCZUSETPY-MGPQQGTHSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)CO2)[C@@H]1C[NH3+] ZINC000872141758 649291279 /nfs/dbraw/zinc/29/12/79/649291279.db2.gz SDHLGNCZUSETPY-MGPQQGTHSA-N 2 1 252.402 2.005 20 0 CEADMP C([C@@H]1CC2(CCC2)CO1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000872142677 649291968 /nfs/dbraw/zinc/29/19/68/649291968.db2.gz CHDWYHWHMPCSDO-HOCLYGCPSA-N 2 1 264.413 2.021 20 0 CEADMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000872145561 649296456 /nfs/dbraw/zinc/29/64/56/649296456.db2.gz UGBYAVKZNZUREW-ZDUSSCGKSA-N 2 1 252.402 2.020 20 0 CEADMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000872145561 649296461 /nfs/dbraw/zinc/29/64/61/649296461.db2.gz UGBYAVKZNZUREW-ZDUSSCGKSA-N 2 1 252.402 2.020 20 0 CEADMP Cc1csc([C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000872148176 649296535 /nfs/dbraw/zinc/29/65/35/649296535.db2.gz NZFVQZPKCGMPAI-CHWSQXEVSA-N 2 1 265.426 2.240 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)CO2)C[C@H]1C(F)(F)F ZINC000872148826 649297561 /nfs/dbraw/zinc/29/75/61/649297561.db2.gz IBJWJMSMVHGWRH-IJLUTSLNSA-N 2 1 292.345 2.015 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)CO2)C[C@H]1C(F)(F)F ZINC000872148826 649297565 /nfs/dbraw/zinc/29/75/65/649297565.db2.gz IBJWJMSMVHGWRH-IJLUTSLNSA-N 2 1 292.345 2.015 20 0 CEADMP COC[C@H](C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1)OC ZINC000872158961 649300667 /nfs/dbraw/zinc/30/06/67/649300667.db2.gz ZMWIRXDQHKSBLZ-HYVNUMGLSA-N 2 1 298.471 2.267 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC12CCC2 ZINC000872251563 649329084 /nfs/dbraw/zinc/32/90/84/649329084.db2.gz OLNXDWUQGNZJOG-HZPDHXFCSA-N 2 1 274.408 2.012 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC12CCC2 ZINC000872251563 649329089 /nfs/dbraw/zinc/32/90/89/649329089.db2.gz OLNXDWUQGNZJOG-HZPDHXFCSA-N 2 1 274.408 2.012 20 0 CEADMP C[N@H+]1CC[C@H]2CN(Cc3cccc4c3NCC4)CC[C@H]21 ZINC000873218995 649594678 /nfs/dbraw/zinc/59/46/78/649594678.db2.gz BOTGMILYISSTBD-GOEBONIOSA-N 2 1 271.408 2.181 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4c3NCC4)CC[C@H]21 ZINC000873218995 649594681 /nfs/dbraw/zinc/59/46/81/649594681.db2.gz BOTGMILYISSTBD-GOEBONIOSA-N 2 1 271.408 2.181 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc4c3NCC4)CC[C@H]21 ZINC000873218995 649594683 /nfs/dbraw/zinc/59/46/83/649594683.db2.gz BOTGMILYISSTBD-GOEBONIOSA-N 2 1 271.408 2.181 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc4c3NCC4)CC[C@H]21 ZINC000873218995 649594686 /nfs/dbraw/zinc/59/46/86/649594686.db2.gz BOTGMILYISSTBD-GOEBONIOSA-N 2 1 271.408 2.181 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc4c3NCC4)CC[C@H]21 ZINC000873218995 649594689 /nfs/dbraw/zinc/59/46/89/649594689.db2.gz BOTGMILYISSTBD-GOEBONIOSA-N 2 1 271.408 2.181 20 0 CEADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000873219902 649594731 /nfs/dbraw/zinc/59/47/31/649594731.db2.gz HGWMQVIZWHNUHN-FHLIZLRMSA-N 3 1 287.451 2.457 20 0 CEADMP C[C@@H](O)c1ncc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223660 649597488 /nfs/dbraw/zinc/59/74/88/649597488.db2.gz QSJZVKXHSAUXLB-IAQYHMDHSA-N 2 1 297.468 2.393 20 0 CEADMP C[C@@H](O)c1ncc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223660 649597490 /nfs/dbraw/zinc/59/74/90/649597490.db2.gz QSJZVKXHSAUXLB-IAQYHMDHSA-N 2 1 297.468 2.393 20 0 CEADMP COCCC1([NH2+]Cc2cn(C(C)C)nc2C)CC[NH2+]CC1 ZINC000873224918 649598560 /nfs/dbraw/zinc/59/85/60/649598560.db2.gz KXLKPIIVFWGFSF-UHFFFAOYSA-N 2 1 294.443 2.021 20 0 CEADMP COc1ccc2oc(C[N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)cc2c1 ZINC000873228978 649600295 /nfs/dbraw/zinc/60/02/95/649600295.db2.gz LVMOFGCEOBRHHX-SUMWQHHRSA-N 2 1 286.375 2.483 20 0 CEADMP COc1ccc2oc(C[N@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)cc2c1 ZINC000873228978 649600298 /nfs/dbraw/zinc/60/02/98/649600298.db2.gz LVMOFGCEOBRHHX-SUMWQHHRSA-N 2 1 286.375 2.483 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+]C[C@H]2CCC(C)(C)C[NH2+]2)n1 ZINC000873237494 649604759 /nfs/dbraw/zinc/60/47/59/649604759.db2.gz PZZPTYGNARMMAK-DZGCQCFKSA-N 2 1 291.439 2.389 20 0 CEADMP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCCC[C@H]2N)CC1 ZINC000873248539 649608657 /nfs/dbraw/zinc/60/86/57/649608657.db2.gz GEDDUCSZHKRIIW-FYRZTWFESA-N 2 1 267.461 2.499 20 0 CEADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1noc2ccc(F)cc21 ZINC000873250184 649609269 /nfs/dbraw/zinc/60/92/69/649609269.db2.gz QDHFSKBEUPRLRZ-BDAKNGLRSA-N 2 1 251.305 2.182 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2Cc3ccccc3C[NH2+]2)[C@@H](C)C1 ZINC000873292649 649630176 /nfs/dbraw/zinc/63/01/76/649630176.db2.gz CRNFKKYLEPGSQX-QGTPRVQTSA-N 2 1 287.451 2.021 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878549081 651127329 /nfs/dbraw/zinc/12/73/29/651127329.db2.gz AAWAWBNXVPEBJB-OWCLPIDISA-N 2 1 266.429 2.362 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878549081 651127331 /nfs/dbraw/zinc/12/73/31/651127331.db2.gz AAWAWBNXVPEBJB-OWCLPIDISA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H]1CCCC(C)(C)O1)CCO2 ZINC000878770407 651182530 /nfs/dbraw/zinc/18/25/30/651182530.db2.gz WYRJOFDTNJOINE-OAHLLOKOSA-N 2 1 296.455 2.131 20 0 CEADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878865995 651200245 /nfs/dbraw/zinc/20/02/45/651200245.db2.gz PBBRKMORVBGOHJ-UONOGXRCSA-N 2 1 290.398 2.200 20 0 CEADMP COCC[N@H+](Cc1cccc(F)n1)CC1CC[NH+](C)CC1 ZINC000879127365 651247358 /nfs/dbraw/zinc/24/73/58/651247358.db2.gz WTNMHENOUQUVAM-UHFFFAOYSA-N 2 1 295.402 2.011 20 0 CEADMP CC1([NH+]2CCCC2)CC[NH+](CCC2OCCCO2)CC1 ZINC000879201330 651258976 /nfs/dbraw/zinc/25/89/76/651258976.db2.gz GDAATPOEDRHEES-UHFFFAOYSA-N 2 1 282.428 2.090 20 0 CEADMP Cc1cnc(CCN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(C)c1 ZINC000879578088 651325127 /nfs/dbraw/zinc/32/51/27/651325127.db2.gz ATMIMBHZHPOWPZ-RDJZCZTQSA-N 2 1 273.424 2.267 20 0 CEADMP Cc1cnc(CC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(C)c1 ZINC000879578088 651325128 /nfs/dbraw/zinc/32/51/28/651325128.db2.gz ATMIMBHZHPOWPZ-RDJZCZTQSA-N 2 1 273.424 2.267 20 0 CEADMP Cc1cnc(CC[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(C)c1 ZINC000879578088 651325129 /nfs/dbraw/zinc/32/51/29/651325129.db2.gz ATMIMBHZHPOWPZ-RDJZCZTQSA-N 2 1 273.424 2.267 20 0 CEADMP Cc1cnc(CC[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c(C)c1 ZINC000879578088 651325130 /nfs/dbraw/zinc/32/51/30/651325130.db2.gz ATMIMBHZHPOWPZ-RDJZCZTQSA-N 2 1 273.424 2.267 20 0 CEADMP Cc1cnc(CC[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c(C)c1 ZINC000879578088 651325131 /nfs/dbraw/zinc/32/51/31/651325131.db2.gz ATMIMBHZHPOWPZ-RDJZCZTQSA-N 2 1 273.424 2.267 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC(C)(C)CO3)CC[C@@H]21 ZINC000879578639 651325627 /nfs/dbraw/zinc/32/56/27/651325627.db2.gz GFJSXWZCJPDLRL-KFWWJZLASA-N 2 1 266.429 2.218 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCC(C)(C)CO3)CC[C@@H]21 ZINC000879578639 651325628 /nfs/dbraw/zinc/32/56/28/651325628.db2.gz GFJSXWZCJPDLRL-KFWWJZLASA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCC(C)(C)CO3)CC[C@@H]21 ZINC000879578639 651325629 /nfs/dbraw/zinc/32/56/29/651325629.db2.gz GFJSXWZCJPDLRL-KFWWJZLASA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCC(C)(C)CO3)CC[C@@H]21 ZINC000879578639 651325630 /nfs/dbraw/zinc/32/56/30/651325630.db2.gz GFJSXWZCJPDLRL-KFWWJZLASA-N 2 1 266.429 2.218 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879623457 651332183 /nfs/dbraw/zinc/33/21/83/651332183.db2.gz VVTILYXMTMTUEJ-AWEZNQCLSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879623457 651332184 /nfs/dbraw/zinc/33/21/84/651332184.db2.gz VVTILYXMTMTUEJ-AWEZNQCLSA-N 2 1 265.401 2.065 20 0 CEADMP CC[NH+](CC)CCC[NH+]1CCC(C(C)(C)O)CC1 ZINC000879628307 651332861 /nfs/dbraw/zinc/33/28/61/651332861.db2.gz PXHLZNCAFJYLKM-UHFFFAOYSA-N 2 1 256.434 2.201 20 0 CEADMP CC(C)C[N@@H+](C[C@H](O)C1CC1)CC1CC[NH+](C)CC1 ZINC000879703776 651341483 /nfs/dbraw/zinc/34/14/83/651341483.db2.gz XAGXCBOEWQFPSV-INIZCTEOSA-N 2 1 268.445 2.057 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879735326 651344613 /nfs/dbraw/zinc/34/46/13/651344613.db2.gz WTJUDDLSSVHEAV-HNNXBMFYSA-N 2 1 277.412 2.434 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1C ZINC000880134528 651388417 /nfs/dbraw/zinc/38/84/17/651388417.db2.gz SWHOSFMMAOPTIQ-HZPDHXFCSA-N 2 1 289.423 2.376 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1C ZINC000880134528 651388419 /nfs/dbraw/zinc/38/84/19/651388419.db2.gz SWHOSFMMAOPTIQ-HZPDHXFCSA-N 2 1 289.423 2.376 20 0 CEADMP CC[C@@H](O)C[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880253856 651410529 /nfs/dbraw/zinc/41/05/29/651410529.db2.gz CNGRFGOHOCLBJE-OAHLLOKOSA-N 2 1 268.445 2.488 20 0 CEADMP CC[C@@](C)(CC(=O)OC)[NH2+]CCCCn1cc[nH+]c1C ZINC000129244774 651890630 /nfs/dbraw/zinc/89/06/30/651890630.db2.gz JRLJAFJMTFTFKQ-HNNXBMFYSA-N 2 1 281.400 2.293 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c2c(c1)COCC2 ZINC000882892988 652253034 /nfs/dbraw/zinc/25/30/34/652253034.db2.gz JXJYTUXCCBLPGX-ROUUACIJSA-N 2 1 286.419 2.476 20 0 CEADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c2c(c1)COCC2 ZINC000882892988 652253039 /nfs/dbraw/zinc/25/30/39/652253039.db2.gz JXJYTUXCCBLPGX-ROUUACIJSA-N 2 1 286.419 2.476 20 0 CEADMP COC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@@H]1CCCOC1 ZINC000883220509 652403975 /nfs/dbraw/zinc/40/39/75/652403975.db2.gz KOJFIKJCNNOJSW-RDHHWEPZSA-N 2 1 296.455 2.035 20 0 CEADMP C1=C[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000883245428 652412879 /nfs/dbraw/zinc/41/28/79/652412879.db2.gz LJXUQSFZXIWWSN-GDBMZVCRSA-N 2 1 264.413 2.186 20 0 CEADMP FC(F)(F)OCCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000883416383 652461981 /nfs/dbraw/zinc/46/19/81/652461981.db2.gz TWMKKXRMUDLMIT-UHFFFAOYSA-N 2 1 266.307 2.129 20 0 CEADMP C[C@@](C[NH3+])([NH2+]C[C@H]1CC(C)(C)OC1(C)C)C1CC1 ZINC000883418921 652462693 /nfs/dbraw/zinc/46/26/93/652462693.db2.gz WABLYHLGJKHDKM-DOMZBBRYSA-N 2 1 254.418 2.297 20 0 CEADMP FC1(F)CCC[C@@H]1CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000883425519 652465984 /nfs/dbraw/zinc/46/59/84/652465984.db2.gz WLURLGQLYFAKDV-OLZOCXBDSA-N 2 1 258.356 2.497 20 0 CEADMP CC1(C)C[C@H](C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)C(C)(C)O1 ZINC000883433034 652468225 /nfs/dbraw/zinc/46/82/25/652468225.db2.gz HFXLFTHSIBPNDZ-CZUORRHYSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CCCOC(F)(F)F)CC[NH2+]CC2 ZINC000883433951 652468342 /nfs/dbraw/zinc/46/83/42/652468342.db2.gz CILAQKXSVWXFOK-LLVKDONJSA-N 2 1 280.334 2.377 20 0 CEADMP C=C/C=C\CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000883434947 652468699 /nfs/dbraw/zinc/46/86/99/652468699.db2.gz FUKTZSWDVXBMPB-OFMMPJDCSA-N 2 1 264.413 2.480 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C[C@H]1C[NH3+] ZINC000883438200 652470247 /nfs/dbraw/zinc/47/02/47/652470247.db2.gz NNIYIOHNHBLWIJ-SIXLDLHFSA-N 2 1 274.408 2.433 20 0 CEADMP [NH3+][C@H]1CCCCC[N@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000883438319 652470276 /nfs/dbraw/zinc/47/02/76/652470276.db2.gz QKIDBYXTNLUQOS-HOTGVXAUSA-N 2 1 296.455 2.166 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000883438319 652470278 /nfs/dbraw/zinc/47/02/78/652470278.db2.gz QKIDBYXTNLUQOS-HOTGVXAUSA-N 2 1 296.455 2.166 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccns2)C1 ZINC000883438938 652470297 /nfs/dbraw/zinc/47/02/97/652470297.db2.gz FWUADFLRHBUROR-CYBMUJFWSA-N 2 1 253.415 2.340 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccns2)C1 ZINC000883438938 652470299 /nfs/dbraw/zinc/47/02/99/652470299.db2.gz FWUADFLRHBUROR-CYBMUJFWSA-N 2 1 253.415 2.340 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@@H+](CCCCCC[NH3+])C1 ZINC000883447884 652473496 /nfs/dbraw/zinc/47/34/96/652473496.db2.gz ODLZVJZKVRTWMW-LLVKDONJSA-N 2 1 268.323 2.159 20 0 CEADMP C[NH2+][C@@H](CC(C)C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000884189906 652747180 /nfs/dbraw/zinc/74/71/80/652747180.db2.gz PERYCVPMKUXYQX-INIZCTEOSA-N 2 1 297.487 2.391 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000885927124 653070580 /nfs/dbraw/zinc/07/05/80/653070580.db2.gz NLJOREPORNGYDE-KFWWJZLASA-N 2 1 254.418 2.264 20 0 CEADMP Cc1ccnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164688514 719601226 /nfs/dbraw/zinc/60/12/26/719601226.db2.gz XBKMJUYJYJWVFN-UHFFFAOYSA-N 2 1 299.422 2.062 20 0 CEADMP Cc1ccnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164688514 719601229 /nfs/dbraw/zinc/60/12/29/719601229.db2.gz XBKMJUYJYJWVFN-UHFFFAOYSA-N 2 1 299.422 2.062 20 0 CEADMP CN(C)c1cccc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)[nH+]1 ZINC001164770065 721280136 /nfs/dbraw/zinc/28/01/36/721280136.db2.gz UKPINNYYSLZUJB-UHFFFAOYSA-N 2 1 286.423 2.070 20 0 CEADMP c1cc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)[nH+]c2c1CCC2 ZINC001164774067 721285706 /nfs/dbraw/zinc/28/57/06/721285706.db2.gz WPJJKGBKELMHOW-UHFFFAOYSA-N 2 1 283.419 2.492 20 0 CEADMP c1cc(N2CC3(C2)CC[N@H+](CC2CC2)C3)[nH+]c2c1CCC2 ZINC001164774067 721285708 /nfs/dbraw/zinc/28/57/08/721285708.db2.gz WPJJKGBKELMHOW-UHFFFAOYSA-N 2 1 283.419 2.492 20 0 CEADMP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001271103014 805740404 /nfs/dbraw/zinc/74/04/04/805740404.db2.gz TZLWEENNMLVAFC-KQLNYGGHSA-N 2 1 295.471 2.121 20 0 CEADMP C[C@@H]1C[C@@H](n2nncc2C[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018174 805761054 /nfs/dbraw/zinc/76/10/54/805761054.db2.gz BYHPNUKWZUTZPA-MIFYACCESA-N 2 1 299.422 2.351 20 0 CEADMP CCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1CC ZINC001087726609 805781622 /nfs/dbraw/zinc/78/16/22/805781622.db2.gz LWDMXGXCFURXAO-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1CC ZINC001087726609 805781626 /nfs/dbraw/zinc/78/16/26/805781626.db2.gz LWDMXGXCFURXAO-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1CC ZINC001087726609 805781631 /nfs/dbraw/zinc/78/16/31/805781631.db2.gz LWDMXGXCFURXAO-OWCLPIDISA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](CC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[NH+](C)C ZINC000895300081 805796567 /nfs/dbraw/zinc/79/65/67/805796567.db2.gz RZZQEILKPRFPDX-OAHLLOKOSA-N 3 1 293.455 2.057 20 0 CEADMP CCCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001271253496 805901962 /nfs/dbraw/zinc/90/19/62/805901962.db2.gz GPBDUBURVUSAPQ-CABCVRRESA-N 2 1 283.460 2.001 20 0 CEADMP C[C@@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)CC[C@@]1(C)O ZINC001168315257 806648494 /nfs/dbraw/zinc/64/84/94/806648494.db2.gz SXZNVHVUBINDLC-PRLABOORSA-N 2 1 268.445 2.342 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168324256 806653452 /nfs/dbraw/zinc/65/34/52/806653452.db2.gz MAPITCWJDPZHRJ-WLYUNCDWSA-N 2 1 282.428 2.134 20 0 CEADMP COC(=O)[C@@]1(C)CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168324384 806653507 /nfs/dbraw/zinc/65/35/07/806653507.db2.gz NIDYXOBNFJFDMN-XUJLQICISA-N 2 1 282.428 2.134 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC001168328153 806658916 /nfs/dbraw/zinc/65/89/16/806658916.db2.gz XMFYFVMVBRAWBH-UHFFFAOYSA-N 3 1 279.472 2.277 20 0 CEADMP C[NH+]1CCCC[C@H]1CO[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001224706504 806906091 /nfs/dbraw/zinc/90/60/91/806906091.db2.gz KUSDCTCYDSHIOY-XUWVNRHRSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+]1C[C@H]2CCC[C@@H](C1)[C@H]2OC[C@@H]1CCCC[N@@H+]1C ZINC001224706504 806906095 /nfs/dbraw/zinc/90/60/95/806906095.db2.gz KUSDCTCYDSHIOY-XUWVNRHRSA-N 2 1 266.429 2.218 20 0 CEADMP C[NH+]1C[C@H]2CCC[C@@H](C1)[C@H]2OC[C@@H]1CCCC[N@H+]1C ZINC001224706504 806906099 /nfs/dbraw/zinc/90/60/99/806906099.db2.gz KUSDCTCYDSHIOY-XUWVNRHRSA-N 2 1 266.429 2.218 20 0 CEADMP CCCOc1ncccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206768164 802361547 /nfs/dbraw/zinc/36/15/47/802361547.db2.gz HZRSLFTWFFDWLJ-ZIAGYGMSSA-N 2 1 277.412 2.430 20 0 CEADMP CCCOc1ncccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206768164 802361554 /nfs/dbraw/zinc/36/15/54/802361554.db2.gz HZRSLFTWFFDWLJ-ZIAGYGMSSA-N 2 1 277.412 2.430 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@](O)(C(F)(F)F)C2)C1 ZINC001208606079 802390246 /nfs/dbraw/zinc/39/02/46/802390246.db2.gz DTFZSCDESBJGSA-OLZOCXBDSA-N 2 1 294.361 2.108 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)C1 ZINC001208606079 802390257 /nfs/dbraw/zinc/39/02/57/802390257.db2.gz DTFZSCDESBJGSA-OLZOCXBDSA-N 2 1 294.361 2.108 20 0 CEADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)C1 ZINC001208606079 802390262 /nfs/dbraw/zinc/39/02/62/802390262.db2.gz DTFZSCDESBJGSA-OLZOCXBDSA-N 2 1 294.361 2.108 20 0 CEADMP CC(C)=CC[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001266332201 802449034 /nfs/dbraw/zinc/44/90/34/802449034.db2.gz GGLOJRJDGFXKOJ-MRXNPFEDSA-N 2 1 295.471 2.264 20 0 CEADMP CC(C)=CC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001266332201 802449035 /nfs/dbraw/zinc/44/90/35/802449035.db2.gz GGLOJRJDGFXKOJ-MRXNPFEDSA-N 2 1 295.471 2.264 20 0 CEADMP CC(C)=CC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001266332201 802449036 /nfs/dbraw/zinc/44/90/36/802449036.db2.gz GGLOJRJDGFXKOJ-MRXNPFEDSA-N 2 1 295.471 2.264 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665404 802506404 /nfs/dbraw/zinc/50/64/04/802506404.db2.gz BJUOZGKZEQNXJF-KANFNMMFSA-N 3 1 299.462 2.191 20 0 CEADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665404 802506409 /nfs/dbraw/zinc/50/64/09/802506409.db2.gz BJUOZGKZEQNXJF-KANFNMMFSA-N 3 1 299.462 2.191 20 0 CEADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665404 802506414 /nfs/dbraw/zinc/50/64/14/802506414.db2.gz BJUOZGKZEQNXJF-KANFNMMFSA-N 3 1 299.462 2.191 20 0 CEADMP C[C@H]1C[C@@H]([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665404 802506419 /nfs/dbraw/zinc/50/64/19/802506419.db2.gz BJUOZGKZEQNXJF-KANFNMMFSA-N 2 1 299.462 2.191 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000705665404 802506422 /nfs/dbraw/zinc/50/64/22/802506422.db2.gz BJUOZGKZEQNXJF-KANFNMMFSA-N 2 1 299.462 2.191 20 0 CEADMP C[N@@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)C1CCC([NH3+])CC1 ZINC000721425411 802615665 /nfs/dbraw/zinc/61/56/65/802615665.db2.gz JIWKMZZWEUNHQS-QQFIATSDSA-N 2 1 280.334 2.298 20 0 CEADMP C[N@H+]1CCC[C@H](CNCc2cccc3c2OCC3)C1 ZINC000693126995 802658973 /nfs/dbraw/zinc/65/89/73/802658973.db2.gz JCUDEAXYYNGKKI-CYBMUJFWSA-N 2 1 260.381 2.053 20 0 CEADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000693126995 802658978 /nfs/dbraw/zinc/65/89/78/802658978.db2.gz JCUDEAXYYNGKKI-CYBMUJFWSA-N 2 1 260.381 2.053 20 0 CEADMP C[N@H+]1CCC[C@@H](CNCc2cccc3c2OCC3)C1 ZINC000693126999 802659417 /nfs/dbraw/zinc/65/94/17/802659417.db2.gz JCUDEAXYYNGKKI-ZDUSSCGKSA-N 2 1 260.381 2.053 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000693126999 802659421 /nfs/dbraw/zinc/65/94/21/802659421.db2.gz JCUDEAXYYNGKKI-ZDUSSCGKSA-N 2 1 260.381 2.053 20 0 CEADMP Cc1cc(-n2ccc3cc(C[NH3+])cnc32)c2[nH+]ccn2c1 ZINC001167314591 802677446 /nfs/dbraw/zinc/67/74/46/802677446.db2.gz YDQRMSHTBVSOET-UHFFFAOYSA-N 2 1 277.331 2.440 20 0 CEADMP Cc1ccccc1NC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000710842486 809996455 /nfs/dbraw/zinc/99/64/55/809996455.db2.gz QLRXUEGWTBMBCX-UHFFFAOYSA-N 2 1 277.412 2.384 20 0 CEADMP CC1(C)C[C@@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000398279452 802816784 /nfs/dbraw/zinc/81/67/84/802816784.db2.gz FQNFBWOJRAPFKF-NCOADZHNSA-N 2 1 286.419 2.274 20 0 CEADMP CC1(C)C[C@@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000398279452 802816788 /nfs/dbraw/zinc/81/67/88/802816788.db2.gz FQNFBWOJRAPFKF-NCOADZHNSA-N 2 1 286.419 2.274 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)C2 ZINC000721466248 802834720 /nfs/dbraw/zinc/83/47/20/802834720.db2.gz KVUUSMKDXIUUIJ-CYDGBPFRSA-N 2 1 292.345 2.157 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CC[C@@H](C(F)(F)F)O1)C2 ZINC000721466250 802835129 /nfs/dbraw/zinc/83/51/29/802835129.db2.gz KVUUSMKDXIUUIJ-RNJOBUHISA-N 2 1 292.345 2.157 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000398346821 802836052 /nfs/dbraw/zinc/83/60/52/802836052.db2.gz XMJCKXMHOLTSPI-WJNMYVKJSA-N 2 1 286.419 2.274 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000398346821 802836056 /nfs/dbraw/zinc/83/60/56/802836056.db2.gz XMJCKXMHOLTSPI-WJNMYVKJSA-N 2 1 286.419 2.274 20 0 CEADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@H]2CCCOCC2)cc1 ZINC000398349780 802836468 /nfs/dbraw/zinc/83/64/68/802836468.db2.gz YYCHURRCFFKHNS-WNRNVDISSA-N 2 1 286.419 2.276 20 0 CEADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH2+][C@H]2CCCOCC2)cc1 ZINC000398349780 802836470 /nfs/dbraw/zinc/83/64/70/802836470.db2.gz YYCHURRCFFKHNS-WNRNVDISSA-N 2 1 286.419 2.276 20 0 CEADMP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001266695545 802847627 /nfs/dbraw/zinc/84/76/27/802847627.db2.gz YXNIAMBLLBPYAP-OWCLPIDISA-N 2 1 295.471 2.288 20 0 CEADMP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399114827 802950978 /nfs/dbraw/zinc/95/09/78/802950978.db2.gz MHUQBYYGRLGXLB-VNHYZAJKSA-N 2 1 262.397 2.443 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901888 802966759 /nfs/dbraw/zinc/96/67/59/802966759.db2.gz SEQKUHLUYGVGCB-ZIAGYGMSSA-N 2 1 270.417 2.027 20 0 CEADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCCC(C)C)CC[N@H+]1C ZINC001266939933 803012436 /nfs/dbraw/zinc/01/24/36/803012436.db2.gz REHOALMPWGGDIB-HRCADAONSA-N 2 1 297.487 2.247 20 0 CEADMP CCCCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266966056 803027021 /nfs/dbraw/zinc/02/70/21/803027021.db2.gz YIMVGZHHIALXNZ-ILXRZTDVSA-N 2 1 283.460 2.001 20 0 CEADMP C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[N@H+]1CC1CC1 ZINC001132436158 812851376 /nfs/dbraw/zinc/85/13/76/812851376.db2.gz JFDYDLQPCWQPKV-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@](C)(C[NH3+])C3)c2c1C ZINC001158678052 812910463 /nfs/dbraw/zinc/91/04/63/812910463.db2.gz AONUQMCCUOSJTA-OAHLLOKOSA-N 2 1 273.384 2.140 20 0 CEADMP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000690742461 803161812 /nfs/dbraw/zinc/16/18/12/803161812.db2.gz XASSWSJJXQKJEG-JTQLQIEISA-N 2 1 284.201 2.015 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000690742461 803161814 /nfs/dbraw/zinc/16/18/14/803161814.db2.gz XASSWSJJXQKJEG-JTQLQIEISA-N 2 1 284.201 2.015 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001267178994 803197876 /nfs/dbraw/zinc/19/78/76/803197876.db2.gz IOCXUQZEEGBDDL-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001267633996 803633537 /nfs/dbraw/zinc/63/35/37/803633537.db2.gz YWYLHUXPVZDYMO-WLMCBFPDSA-N 2 1 295.471 2.265 20 0 CEADMP CC/C=C\CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001267633996 803633540 /nfs/dbraw/zinc/63/35/40/803633540.db2.gz YWYLHUXPVZDYMO-WLMCBFPDSA-N 2 1 295.471 2.265 20 0 CEADMP CC/C=C\CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001267633996 803633543 /nfs/dbraw/zinc/63/35/43/803633543.db2.gz YWYLHUXPVZDYMO-WLMCBFPDSA-N 2 1 295.471 2.265 20 0 CEADMP C([C@H]1CC[C@H](C2CC2)O1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000715404429 814954450 /nfs/dbraw/zinc/95/44/50/814954450.db2.gz RRHHLPSYIYDLNW-OAGGEKHMSA-N 2 1 264.413 2.020 20 0 CEADMP CCCCc1ncc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)[nH]1 ZINC001141071208 803702451 /nfs/dbraw/zinc/70/24/51/803702451.db2.gz GINVBWJPSTZWSZ-TZMCWYRMSA-N 2 1 263.385 2.363 20 0 CEADMP CCCCc1ncc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)[nH]1 ZINC001141071208 803702456 /nfs/dbraw/zinc/70/24/56/803702456.db2.gz GINVBWJPSTZWSZ-TZMCWYRMSA-N 2 1 263.385 2.363 20 0 CEADMP CC[N@@H+](CCCNC(=O)NCCCC[NH3+])C1CCCCC1 ZINC001118251299 814997433 /nfs/dbraw/zinc/99/74/33/814997433.db2.gz LAUMTFFMJIEVDM-UHFFFAOYSA-N 2 1 298.475 2.069 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001027694686 804197987 /nfs/dbraw/zinc/19/79/87/804197987.db2.gz HTNAMMRFPSTFDZ-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001027694686 804197990 /nfs/dbraw/zinc/19/79/90/804197990.db2.gz HTNAMMRFPSTFDZ-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001027694686 804197998 /nfs/dbraw/zinc/19/79/98/804197998.db2.gz HTNAMMRFPSTFDZ-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)[C@@H]1CCCC[NH2+]1 ZINC000722321194 804282232 /nfs/dbraw/zinc/28/22/32/804282232.db2.gz OYIXBZGSNGQCAO-MXAVVETBSA-N 2 1 252.402 2.064 20 0 CEADMP CCOC(=O)[C@@H]1CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167824241 804378497 /nfs/dbraw/zinc/37/84/97/804378497.db2.gz CTPTZTUEWYPYBR-LSDHHAIUSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001167824008 804378690 /nfs/dbraw/zinc/37/86/90/804378690.db2.gz ATNNTLVOBNMCLP-CVEARBPZSA-N 2 1 297.487 2.297 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001167836825 804430050 /nfs/dbraw/zinc/43/00/50/804430050.db2.gz HSKRNCDCFBFVLM-SOUVJXGZSA-N 2 1 266.429 2.408 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(C)(N(C)C)C1 ZINC001167838116 804432757 /nfs/dbraw/zinc/43/27/57/804432757.db2.gz QKQYREIRVNDRKR-AWEZNQCLSA-N 2 1 255.450 2.133 20 0 CEADMP CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207684929 804666632 /nfs/dbraw/zinc/66/66/32/804666632.db2.gz VQUOOCXUUNDFRC-CVEARBPZSA-N 2 1 295.471 2.242 20 0 CEADMP c1ccc(CN2C[C@@H]3C[N@@H+]([C@@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)nc1 ZINC001167933618 804865038 /nfs/dbraw/zinc/86/50/38/804865038.db2.gz DFGPEJOCGJEVKW-NUALHRCUSA-N 2 1 283.419 2.244 20 0 CEADMP CN(CCC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001268784355 804971543 /nfs/dbraw/zinc/97/15/43/804971543.db2.gz TZDLIJADVIEKSL-INIZCTEOSA-N 2 1 293.455 2.019 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001269356776 805140152 /nfs/dbraw/zinc/14/01/52/805140152.db2.gz VIHCHWMVWFVATG-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)[C@H]1CCCOC1 ZINC001167964027 805443572 /nfs/dbraw/zinc/44/35/72/805443572.db2.gz LEGZVUZIINUTQA-MGNMYUMUSA-N 2 1 278.440 2.408 20 0 CEADMP COCCOCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167972904 805503650 /nfs/dbraw/zinc/50/36/50/805503650.db2.gz DUMUEBQESMAWBS-ALOPSCKCSA-N 2 1 296.455 2.035 20 0 CEADMP COC1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167982149 805516684 /nfs/dbraw/zinc/51/66/84/805516684.db2.gz YHYFNMACVVQDRA-MSJJKYGJSA-N 2 1 278.440 2.406 20 0 CEADMP O=C1CCC[C@H]2C[N@@H+](C3CC[NH+](CC4CC4)CC3)C[C@H]12 ZINC001168396025 807074646 /nfs/dbraw/zinc/07/46/46/807074646.db2.gz BMXKQOLJRYHHAE-HOCLYGCPSA-N 2 1 276.424 2.162 20 0 CEADMP O=C1CCC[C@H]2C[N@H+](C3CC[NH+](CC4CC4)CC3)C[C@H]12 ZINC001168396025 807074653 /nfs/dbraw/zinc/07/46/53/807074653.db2.gz BMXKQOLJRYHHAE-HOCLYGCPSA-N 2 1 276.424 2.162 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1C ZINC001088970860 807300348 /nfs/dbraw/zinc/30/03/48/807300348.db2.gz QUKBJPLOAJBTGZ-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1C ZINC001088970860 807300357 /nfs/dbraw/zinc/30/03/57/807300357.db2.gz QUKBJPLOAJBTGZ-OWCLPIDISA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCC(C)(C)C ZINC001089038314 807318480 /nfs/dbraw/zinc/31/84/80/807318480.db2.gz OGOQMHCNWHUYBA-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCC(C)(C)C ZINC001089038314 807318486 /nfs/dbraw/zinc/31/84/86/807318486.db2.gz OGOQMHCNWHUYBA-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1cc[nH+]cc1Cl ZINC001120906317 807351262 /nfs/dbraw/zinc/35/12/62/807351262.db2.gz HOOKXGZRDVBSOY-ZANVPECISA-N 2 1 251.761 2.052 20 0 CEADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1cc[nH+]cc1Cl ZINC001120906317 807351270 /nfs/dbraw/zinc/35/12/70/807351270.db2.gz HOOKXGZRDVBSOY-ZANVPECISA-N 2 1 251.761 2.052 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC4(CCC4)CO3)C[C@H]21 ZINC000716312522 815113223 /nfs/dbraw/zinc/11/32/23/815113223.db2.gz VOVBXICUXXPXKG-QKPAOTATSA-N 2 1 278.440 2.395 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC ZINC001099130908 807413580 /nfs/dbraw/zinc/41/35/80/807413580.db2.gz USDCDLZYEBSYQH-CQSZACIVSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099130908 807413587 /nfs/dbraw/zinc/41/35/87/807413587.db2.gz USDCDLZYEBSYQH-CQSZACIVSA-N 2 1 297.487 2.343 20 0 CEADMP CC[NH+](C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC ZINC001099130908 807413592 /nfs/dbraw/zinc/41/35/92/807413592.db2.gz USDCDLZYEBSYQH-CQSZACIVSA-N 2 1 297.487 2.343 20 0 CEADMP CC[C@H](C)C[N@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001272419518 807470804 /nfs/dbraw/zinc/47/08/04/807470804.db2.gz GIIMEXCJSDMNGR-DOTOQJQBSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716622184 815136972 /nfs/dbraw/zinc/13/69/72/815136972.db2.gz ULSMIXYMRIKVIZ-ULQDDVLXSA-N 2 1 288.435 2.400 20 0 CEADMP CC[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC000699283059 807670533 /nfs/dbraw/zinc/67/05/33/807670533.db2.gz QZZXPSYQAUAMKJ-JALIKCBVSA-N 2 1 252.402 2.018 20 0 CEADMP COC[C@@H]1CCCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699282933 807670822 /nfs/dbraw/zinc/67/08/22/807670822.db2.gz OXFFSFOCLMNKPP-WZYMTQMTSA-N 2 1 266.429 2.266 20 0 CEADMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(OC)c1C ZINC001205131183 807735689 /nfs/dbraw/zinc/73/56/89/807735689.db2.gz SSIKAASJNPLBDW-SMDDNHRTSA-N 2 1 278.396 2.039 20 0 CEADMP CCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001106905534 808090176 /nfs/dbraw/zinc/09/01/76/808090176.db2.gz USZVBKVNAAGLJC-HZPDHXFCSA-N 2 1 297.487 2.203 20 0 CEADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)C[C@H]2CCCCN2)CC1 ZINC001236553646 808110460 /nfs/dbraw/zinc/11/04/60/808110460.db2.gz ZZZVBJMSFDWKQF-BZUAXINKSA-N 2 1 265.445 2.110 20 0 CEADMP [NH3+][C@H]1CC[C@H](N(CC2CC2)C[C@H]2CCCC[NH2+]2)CC1 ZINC001236553646 808110462 /nfs/dbraw/zinc/11/04/62/808110462.db2.gz ZZZVBJMSFDWKQF-BZUAXINKSA-N 2 1 265.445 2.110 20 0 CEADMP CC(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120129853 815200018 /nfs/dbraw/zinc/20/00/18/815200018.db2.gz PJABPEUSASNNKB-HNNXBMFYSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]1CC[C@H](O)C[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171631859 815201862 /nfs/dbraw/zinc/20/18/62/815201862.db2.gz ODZNCVKARHCKHS-OCCSQVGLSA-N 2 1 268.445 2.483 20 0 CEADMP C[N@H+]1CC[C@H](CNC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171619372 815205504 /nfs/dbraw/zinc/20/55/04/815205504.db2.gz LVBDTAVVSKBRTO-CYBMUJFWSA-N 2 1 267.461 2.179 20 0 CEADMP C[N@@H+]1CC[C@H](C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171619372 815205506 /nfs/dbraw/zinc/20/55/06/815205506.db2.gz LVBDTAVVSKBRTO-CYBMUJFWSA-N 3 1 267.461 2.179 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171619372 815205510 /nfs/dbraw/zinc/20/55/10/815205510.db2.gz LVBDTAVVSKBRTO-CYBMUJFWSA-N 3 1 267.461 2.179 20 0 CEADMP C[C@@H]1C[N@@H+](CCc2ccc(F)cc2F)CC[C@@H]1C[NH3+] ZINC001120268714 815209002 /nfs/dbraw/zinc/20/90/02/815209002.db2.gz IBLSPKMTXSWCHT-DGCLKSJQSA-N 2 1 268.351 2.424 20 0 CEADMP C[C@H]1C[C@H](n2ccc(CC[NH3+])n2)C[N@H+]1Cc1ccccc1 ZINC001171724771 815217998 /nfs/dbraw/zinc/21/79/98/815217998.db2.gz AMDYAQVRVGNKPE-YOEHRIQHSA-N 2 1 284.407 2.220 20 0 CEADMP CC(C)N(CC[NH3+])[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171725425 815218516 /nfs/dbraw/zinc/21/85/16/815218516.db2.gz LHWHLFMZSWOBBY-RDJZCZTQSA-N 2 1 275.440 2.319 20 0 CEADMP CCCOc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205212349 808574895 /nfs/dbraw/zinc/57/48/95/808574895.db2.gz ZGQHJZRXMAWCQA-KRWDZBQOSA-N 2 1 292.423 2.151 20 0 CEADMP C[NH+](C)CCOc1cc(F)ccc1Nc1ccc[nH+]c1N ZINC001212409003 808765212 /nfs/dbraw/zinc/76/52/12/808765212.db2.gz YMPMFCRZHZGJAN-UHFFFAOYSA-N 2 1 290.342 2.487 20 0 CEADMP CC[C@@H](C)C[C@@H](C)Nc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001168693927 808983830 /nfs/dbraw/zinc/98/38/30/808983830.db2.gz LDLYOGMNGWOKNO-CHWSQXEVSA-N 2 1 277.416 2.123 20 0 CEADMP CC1(C)C[C@H](N2CC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC001171968499 815253755 /nfs/dbraw/zinc/25/37/55/815253755.db2.gz QPNBFBFIGIFQMM-DLBZAZTESA-N 2 1 287.451 2.463 20 0 CEADMP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032960621 809127932 /nfs/dbraw/zinc/12/79/32/809127932.db2.gz XYIJWHJPOGMDLK-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032960621 809127933 /nfs/dbraw/zinc/12/79/33/809127933.db2.gz XYIJWHJPOGMDLK-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP CCC(CC)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032960621 809127936 /nfs/dbraw/zinc/12/79/36/809127936.db2.gz XYIJWHJPOGMDLK-CVEARBPZSA-N 2 1 295.471 2.050 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](CCc2c(F)cccc2F)CC[C@@H]1F ZINC001206156891 815281365 /nfs/dbraw/zinc/28/13/65/815281365.db2.gz TXENSEFQEQEDQZ-UONOGXRCSA-N 2 1 272.314 2.269 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](CCc2c(F)cccc2F)CC[C@@H]1F ZINC001206156891 815281369 /nfs/dbraw/zinc/28/13/69/815281369.db2.gz TXENSEFQEQEDQZ-UONOGXRCSA-N 2 1 272.314 2.269 20 0 CEADMP Cc1cccnc1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099503 815283523 /nfs/dbraw/zinc/28/35/23/815283523.db2.gz IVUTWYYQJVFWSM-QDMKHBRRSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1cccnc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099503 815283529 /nfs/dbraw/zinc/28/35/29/815283529.db2.gz IVUTWYYQJVFWSM-QDMKHBRRSA-N 2 1 259.397 2.495 20 0 CEADMP Cc1cccnc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099503 815283533 /nfs/dbraw/zinc/28/35/33/815283533.db2.gz IVUTWYYQJVFWSM-QDMKHBRRSA-N 2 1 259.397 2.495 20 0 CEADMP CC[NH+](CC)[C@@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172126985 815286473 /nfs/dbraw/zinc/28/64/73/815286473.db2.gz FGZSRNBGTHRVMG-TWMKSMIVSA-N 2 1 279.472 2.418 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[C@H]1C[C@@H]3F)C2 ZINC001172127977 815286928 /nfs/dbraw/zinc/28/69/28/815286928.db2.gz MMGMOXFZGGEMNR-UJOWSUJOSA-N 2 1 252.377 2.434 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3C[C@H]1C[C@@H]3F)C2 ZINC001172127977 815286934 /nfs/dbraw/zinc/28/69/34/815286934.db2.gz MMGMOXFZGGEMNR-UJOWSUJOSA-N 2 1 252.377 2.434 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H]3C[C@H]1C[C@@H]3F)C2 ZINC001172127977 815286939 /nfs/dbraw/zinc/28/69/39/815286939.db2.gz MMGMOXFZGGEMNR-UJOWSUJOSA-N 2 1 252.377 2.434 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]2C1 ZINC001172129822 815288531 /nfs/dbraw/zinc/28/85/31/815288531.db2.gz LEWMUTLEMMXJLL-MEWRGDBZSA-N 3 1 291.483 2.275 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]2C1 ZINC001172129822 815288534 /nfs/dbraw/zinc/28/85/34/815288534.db2.gz LEWMUTLEMMXJLL-MEWRGDBZSA-N 3 1 291.483 2.275 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]2C1 ZINC001172129822 815288536 /nfs/dbraw/zinc/28/85/36/815288536.db2.gz LEWMUTLEMMXJLL-MEWRGDBZSA-N 3 1 291.483 2.275 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C[C@@H]2C1 ZINC001172129822 815288539 /nfs/dbraw/zinc/28/85/39/815288539.db2.gz LEWMUTLEMMXJLL-MEWRGDBZSA-N 2 1 291.483 2.275 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C[C@@H]2C1 ZINC001172129822 815288543 /nfs/dbraw/zinc/28/85/43/815288543.db2.gz LEWMUTLEMMXJLL-MEWRGDBZSA-N 2 1 291.483 2.275 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C[C@@H]2C1 ZINC001172129822 815288546 /nfs/dbraw/zinc/28/85/46/815288546.db2.gz LEWMUTLEMMXJLL-MEWRGDBZSA-N 2 1 291.483 2.275 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C[C@@H]2C1 ZINC001172129822 815288549 /nfs/dbraw/zinc/28/85/49/815288549.db2.gz LEWMUTLEMMXJLL-MEWRGDBZSA-N 2 1 291.483 2.275 20 0 CEADMP CC(C)[N@H+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC001172129535 815288558 /nfs/dbraw/zinc/28/85/58/815288558.db2.gz CAZIPCZGOMFJDB-MWDXBVQZSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC001172129535 815288562 /nfs/dbraw/zinc/28/85/62/815288562.db2.gz CAZIPCZGOMFJDB-MWDXBVQZSA-N 2 1 279.472 2.416 20 0 CEADMP CC(C)[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC001172129535 815288565 /nfs/dbraw/zinc/28/85/65/815288565.db2.gz CAZIPCZGOMFJDB-MWDXBVQZSA-N 2 1 279.472 2.416 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@]13CCOC3)C2 ZINC001172129334 815288699 /nfs/dbraw/zinc/28/86/99/815288699.db2.gz YJDZUXATHBNUKV-FZKCQIBNSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@]13CCOC3)C2 ZINC001172129334 815288704 /nfs/dbraw/zinc/28/87/04/815288704.db2.gz YJDZUXATHBNUKV-FZKCQIBNSA-N 2 1 264.413 2.257 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@]13CCOC3)C2 ZINC001172129334 815288706 /nfs/dbraw/zinc/28/87/06/815288706.db2.gz YJDZUXATHBNUKV-FZKCQIBNSA-N 2 1 264.413 2.257 20 0 CEADMP CC(C)[C@@H]1COCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129374 815289182 /nfs/dbraw/zinc/28/91/82/815289182.db2.gz YVTXUTFCPPAPDA-JJXSEGSLSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[C@@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129374 815289185 /nfs/dbraw/zinc/28/91/85/815289185.db2.gz YVTXUTFCPPAPDA-JJXSEGSLSA-N 2 1 266.429 2.359 20 0 CEADMP CC(C)[C@@H]1COCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129374 815289187 /nfs/dbraw/zinc/28/91/87/815289187.db2.gz YVTXUTFCPPAPDA-JJXSEGSLSA-N 2 1 266.429 2.359 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3[C@H](CF)[C@H]3C1)C2 ZINC001172128542 815289238 /nfs/dbraw/zinc/28/92/38/815289238.db2.gz SDWRRMWGESMYQC-VWLPUNTISA-N 2 1 252.377 2.149 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H]3[C@H](CF)[C@H]3C1)C2 ZINC001172128542 815289240 /nfs/dbraw/zinc/28/92/40/815289240.db2.gz SDWRRMWGESMYQC-VWLPUNTISA-N 2 1 252.377 2.149 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H]3[C@H](CF)[C@H]3C1)C2 ZINC001172128542 815289243 /nfs/dbraw/zinc/28/92/43/815289243.db2.gz SDWRRMWGESMYQC-VWLPUNTISA-N 2 1 252.377 2.149 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C1)C2 ZINC001172129303 815289823 /nfs/dbraw/zinc/28/98/23/815289823.db2.gz YCPYCGKLYNJNJN-DJORCPELSA-N 2 1 276.424 2.111 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C1)C2 ZINC001172129303 815289826 /nfs/dbraw/zinc/28/98/26/815289826.db2.gz YCPYCGKLYNJNJN-DJORCPELSA-N 2 1 276.424 2.111 20 0 CEADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C1)C2 ZINC001172129303 815289832 /nfs/dbraw/zinc/28/98/32/815289832.db2.gz YCPYCGKLYNJNJN-DJORCPELSA-N 2 1 276.424 2.111 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCCOC1)C2 ZINC001172103906 815294038 /nfs/dbraw/zinc/29/40/38/815294038.db2.gz XWILDYOJYRSWPK-ZQDZILKHSA-N 2 1 252.402 2.018 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCOc1cccnc1)C2 ZINC001172107457 815295835 /nfs/dbraw/zinc/29/58/35/815295835.db2.gz XUPOUYNABJWFEO-QDMKHBRRSA-N 2 1 275.396 2.065 20 0 CEADMP COC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110843 815299689 /nfs/dbraw/zinc/29/96/89/815299689.db2.gz PZVPRQCPKQSXEW-QMHWVQJVSA-N 2 1 294.439 2.323 20 0 CEADMP COC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172110843 815299693 /nfs/dbraw/zinc/29/96/93/815299693.db2.gz PZVPRQCPKQSXEW-QMHWVQJVSA-N 2 1 294.439 2.323 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cnc(Cl)cn1)C2 ZINC001172110425 815301083 /nfs/dbraw/zinc/30/10/83/815301083.db2.gz MTGWENCEUUTKKM-LMKPVCQUSA-N 2 1 280.803 2.235 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cnc(Cl)cn1)C2 ZINC001172110425 815301088 /nfs/dbraw/zinc/30/10/88/815301088.db2.gz MTGWENCEUUTKKM-LMKPVCQUSA-N 2 1 280.803 2.235 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCc3nccnc31)C2 ZINC001172115126 815301966 /nfs/dbraw/zinc/30/19/66/815301966.db2.gz QYQGWACDNKRAGT-AYDFFVQHSA-N 2 1 286.423 2.459 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCc3nccnc31)C2 ZINC001172115126 815301972 /nfs/dbraw/zinc/30/19/72/815301972.db2.gz QYQGWACDNKRAGT-AYDFFVQHSA-N 2 1 286.423 2.459 20 0 CEADMP CCC[N@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034430995 809607732 /nfs/dbraw/zinc/60/77/32/809607732.db2.gz IOACHDKNCOURCZ-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CO[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172115145 815303977 /nfs/dbraw/zinc/30/39/77/815303977.db2.gz VHVVJPBDWIJLIY-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172115145 815303984 /nfs/dbraw/zinc/30/39/84/815303984.db2.gz VHVVJPBDWIJLIY-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172115145 815303990 /nfs/dbraw/zinc/30/39/90/815303990.db2.gz VHVVJPBDWIJLIY-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172115145 815303996 /nfs/dbraw/zinc/30/39/96/815303996.db2.gz VHVVJPBDWIJLIY-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001034676434 809658346 /nfs/dbraw/zinc/65/83/46/809658346.db2.gz YUIYWLHQBZPBNA-FPCVCCKLSA-N 2 1 293.455 2.040 20 0 CEADMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000703545993 809661328 /nfs/dbraw/zinc/66/13/28/809661328.db2.gz AFPNGRJFXLVDQC-KSZLIROESA-N 2 1 287.451 2.320 20 0 CEADMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCOc1ccc(F)cc1)C2 ZINC000703615701 809670555 /nfs/dbraw/zinc/67/05/55/809670555.db2.gz VVOOZXDHXYDCBC-XJKSGUPXSA-N 2 1 278.371 2.136 20 0 CEADMP CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001034734298 809677502 /nfs/dbraw/zinc/67/75/02/809677502.db2.gz MTWHKEXODNAPJK-SHTZXODSSA-N 2 1 295.471 2.145 20 0 CEADMP CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001034749240 809680762 /nfs/dbraw/zinc/68/07/62/809680762.db2.gz IXHNUOBVNOORON-BZUAXINKSA-N 2 1 295.471 2.286 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000704338646 809730474 /nfs/dbraw/zinc/73/04/74/809730474.db2.gz RGIXYRKMRIPLAH-CYBMUJFWSA-N 2 1 266.360 2.353 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000704338646 809730475 /nfs/dbraw/zinc/73/04/75/809730475.db2.gz RGIXYRKMRIPLAH-CYBMUJFWSA-N 2 1 266.360 2.353 20 0 CEADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@H]1O ZINC001172121887 815313991 /nfs/dbraw/zinc/31/39/91/815313991.db2.gz VBCVFFLGIJSCQW-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCC[C@H]1O ZINC001172121887 815313995 /nfs/dbraw/zinc/31/39/95/815313995.db2.gz VBCVFFLGIJSCQW-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC[C@H]1O ZINC001172121887 815314000 /nfs/dbraw/zinc/31/40/00/815314000.db2.gz VBCVFFLGIJSCQW-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC[C@H]1O ZINC001172121887 815314005 /nfs/dbraw/zinc/31/40/05/815314005.db2.gz VBCVFFLGIJSCQW-IBEHDNSVSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC(C)(C)CO2)[C@H]1CC[NH3+] ZINC000708349059 809927511 /nfs/dbraw/zinc/92/75/11/809927511.db2.gz PQMKMWPQNLIBEO-MCIONIFRSA-N 2 1 254.418 2.251 20 0 CEADMP CC[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](C)O1 ZINC000708391910 809928228 /nfs/dbraw/zinc/92/82/28/809928228.db2.gz YWIRYRLUTQSRLJ-AAEUAGOBSA-N 2 1 280.437 2.393 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](C)O1 ZINC000708391910 809928234 /nfs/dbraw/zinc/92/82/34/809928234.db2.gz YWIRYRLUTQSRLJ-AAEUAGOBSA-N 2 1 280.437 2.393 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@]12C[C@H]1CCCC2 ZINC000708889571 809937826 /nfs/dbraw/zinc/93/78/26/809937826.db2.gz GZXOBECJFMATEC-FPCVCCKLSA-N 2 1 268.445 2.246 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCOCc1ccccc1)C2 ZINC000709862070 809972539 /nfs/dbraw/zinc/97/25/39/809972539.db2.gz NZLNFNOMVSTWJE-JYJNAYRXSA-N 2 1 260.381 2.015 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1C(F)(F)F ZINC000709859235 809972970 /nfs/dbraw/zinc/97/29/70/809972970.db2.gz HWRCPNQYZOZLQX-GRYCIOLGSA-N 2 1 280.334 2.015 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709869039 809974188 /nfs/dbraw/zinc/97/41/88/809974188.db2.gz SJJJIHKVBSCWSY-LVQVYYBASA-N 2 1 264.413 2.020 20 0 CEADMP COc1cc(C[N@@H+](C)CCCCCC[NH3+])ccc1O ZINC000710834778 809994921 /nfs/dbraw/zinc/99/49/21/809994921.db2.gz QWJDGNMQPXSSPN-UHFFFAOYSA-N 2 1 266.385 2.352 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001172221696 815338292 /nfs/dbraw/zinc/33/82/92/815338292.db2.gz AEKCAWHQBIPEOJ-SDODBCEQSA-N 2 1 264.413 2.301 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001172221696 815338299 /nfs/dbraw/zinc/33/82/99/815338299.db2.gz AEKCAWHQBIPEOJ-SDODBCEQSA-N 2 1 264.413 2.301 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000923505963 810103840 /nfs/dbraw/zinc/10/38/40/810103840.db2.gz DPDIMCRSBMACGE-HUUCEWRRSA-N 2 1 289.423 2.159 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CSc3ccccc3C2)CC1 ZINC001172193100 815346311 /nfs/dbraw/zinc/34/63/11/815346311.db2.gz KFFPIGPIERRJPR-AWEZNQCLSA-N 2 1 262.422 2.387 20 0 CEADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cccn3C3CC3)[C@H]2C1 ZINC001204087268 815353359 /nfs/dbraw/zinc/35/33/59/815353359.db2.gz AABBSQXHTLAFQG-VBNZEHGJSA-N 2 1 259.397 2.253 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001079849794 810236288 /nfs/dbraw/zinc/23/62/88/810236288.db2.gz ZQIWDQRDPCMNFB-BZUAXINKSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079849794 810236290 /nfs/dbraw/zinc/23/62/90/810236290.db2.gz ZQIWDQRDPCMNFB-BZUAXINKSA-N 2 1 295.471 2.094 20 0 CEADMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079849794 810236291 /nfs/dbraw/zinc/23/62/91/810236291.db2.gz ZQIWDQRDPCMNFB-BZUAXINKSA-N 2 1 295.471 2.094 20 0 CEADMP COCCC[NH+]1CCC([NH+]2C[C@@H]3CCC[C@H]3C2)CC1 ZINC001172250954 815358612 /nfs/dbraw/zinc/35/86/12/815358612.db2.gz WQOAYKSUPGUNEH-GJZGRUSLSA-N 2 1 266.429 2.219 20 0 CEADMP CC[N@@H+](Cc1ccccn1)C1CCN(CCCOC)CC1 ZINC001172253146 815360361 /nfs/dbraw/zinc/36/03/61/815360361.db2.gz DLHXFCLGHQLCOJ-UHFFFAOYSA-N 2 1 291.439 2.404 20 0 CEADMP COCCC[NH+]1CCC([NH+]2C3CCC2CC3)CC1 ZINC001172255757 815361313 /nfs/dbraw/zinc/36/13/13/815361313.db2.gz MWZNBDPDHNIMBQ-UHFFFAOYSA-N 2 1 252.402 2.114 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]CCC(C)C)C1 ZINC001164455883 810373067 /nfs/dbraw/zinc/37/30/67/810373067.db2.gz HLBPLGLJSQEPEZ-INIZCTEOSA-N 2 1 297.487 2.250 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001017154648 810496737 /nfs/dbraw/zinc/49/67/37/810496737.db2.gz WCZCTUAYHOTHQH-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001017154648 810496741 /nfs/dbraw/zinc/49/67/41/810496741.db2.gz WCZCTUAYHOTHQH-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001017154648 810496746 /nfs/dbraw/zinc/49/67/46/810496746.db2.gz WCZCTUAYHOTHQH-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCCCCC[NH3+])C1 ZINC001122207281 815392213 /nfs/dbraw/zinc/39/22/13/815392213.db2.gz CZQVTFIHHABDSI-OAHLLOKOSA-N 2 1 283.460 2.086 20 0 CEADMP N[C@@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)CC[C@@H]1F ZINC001206164014 815396736 /nfs/dbraw/zinc/39/67/36/815396736.db2.gz IQWGYJXTJPTEQY-UONOGXRCSA-N 2 1 261.344 2.429 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc3[nH]ccc32)CC[C@@H]1F ZINC001206164014 815396742 /nfs/dbraw/zinc/39/67/42/815396742.db2.gz IQWGYJXTJPTEQY-UONOGXRCSA-N 2 1 261.344 2.429 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)CC[C@@H]1F ZINC001206164014 815396747 /nfs/dbraw/zinc/39/67/47/815396747.db2.gz IQWGYJXTJPTEQY-UONOGXRCSA-N 2 1 261.344 2.429 20 0 CEADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c[nH]nc2c1 ZINC001276377679 810785956 /nfs/dbraw/zinc/78/59/56/810785956.db2.gz DQAWMKSVRKMPAV-GOOCMWNKSA-N 2 1 270.380 2.278 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1C(C)C ZINC001085688099 810875840 /nfs/dbraw/zinc/87/58/40/810875840.db2.gz BDVXKJJZQZCALS-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1C(C)C ZINC001085688099 810875843 /nfs/dbraw/zinc/87/58/43/810875843.db2.gz BDVXKJJZQZCALS-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1C(C)C ZINC001085688099 810875850 /nfs/dbraw/zinc/87/58/50/810875850.db2.gz BDVXKJJZQZCALS-CVEARBPZSA-N 2 1 295.471 2.048 20 0 CEADMP CCOCC[C@H](C)[N@H+](CCN)Cc1ccccc1 ZINC001172407089 815408339 /nfs/dbraw/zinc/40/83/39/815408339.db2.gz SFXRWRFLXYGEKF-AWEZNQCLSA-N 2 1 250.386 2.262 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085856332 810945522 /nfs/dbraw/zinc/94/55/22/810945522.db2.gz WRWLAVDVNXYTKV-HZPDHXFCSA-N 2 1 295.471 2.190 20 0 CEADMP CCOCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001172416719 815413018 /nfs/dbraw/zinc/41/30/18/815413018.db2.gz PGKGDFLRROXKTM-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP CCOCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001172416719 815413023 /nfs/dbraw/zinc/41/30/23/815413023.db2.gz PGKGDFLRROXKTM-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP c1nc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cs1 ZINC001241890770 811171954 /nfs/dbraw/zinc/17/19/54/811171954.db2.gz RQBLJBNXAKNANL-UHFFFAOYSA-N 2 1 256.334 2.145 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccccc3nc1CC[NH3+])C2 ZINC001169094544 811366890 /nfs/dbraw/zinc/36/68/90/811366890.db2.gz MIIHMURHNIUXIR-WDNDVIMCSA-N 2 1 284.407 2.335 20 0 CEADMP C[NH+](C)[C@H]1CCCC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169099124 811370762 /nfs/dbraw/zinc/37/07/62/811370762.db2.gz NTVHIQMQDBTCSY-QRJUGERDSA-N 2 1 265.445 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)C2 ZINC001169116485 811383155 /nfs/dbraw/zinc/38/31/55/811383155.db2.gz QQIYKYPNNMLBQI-APIJFGDWSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(-c3ncon3)cc1)C2 ZINC001169090847 811383999 /nfs/dbraw/zinc/38/39/99/811383999.db2.gz MDXYVDTWYASVQN-PHZGNYQRSA-N 2 1 298.390 2.451 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(-c3ncon3)cc1)C2 ZINC001169090847 811384009 /nfs/dbraw/zinc/38/40/09/811384009.db2.gz MDXYVDTWYASVQN-PHZGNYQRSA-N 2 1 298.390 2.451 20 0 CEADMP CN(C)c1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169092227 811384616 /nfs/dbraw/zinc/38/46/16/811384616.db2.gz AGPWYSXQTSJXAY-PHZGNYQRSA-N 2 1 273.424 2.467 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C[C@H]3CCO)CC1)C2 ZINC001169129221 811395480 /nfs/dbraw/zinc/39/54/80/811395480.db2.gz INMNVKRZPJXEJX-WCVJEAGWSA-N 2 1 278.440 2.096 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C[C@H]3CCO)CC1)C2 ZINC001169129221 811395485 /nfs/dbraw/zinc/39/54/85/811395485.db2.gz INMNVKRZPJXEJX-WCVJEAGWSA-N 2 1 278.440 2.096 20 0 CEADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[C@]1(C)O ZINC001169126472 811397476 /nfs/dbraw/zinc/39/74/76/811397476.db2.gz UKTLZXWRBSVVJH-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[C@]1(C)O ZINC001169126472 811397487 /nfs/dbraw/zinc/39/74/87/811397487.db2.gz UKTLZXWRBSVVJH-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[C@]1(C)O ZINC001169126472 811397497 /nfs/dbraw/zinc/39/74/97/811397497.db2.gz UKTLZXWRBSVVJH-OWYFMNJBSA-N 2 1 266.429 2.095 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3CCCO[C@H]3C1)C2 ZINC001169129908 811399322 /nfs/dbraw/zinc/39/93/22/811399322.db2.gz LQHMZBTUXZGFJC-OWYFMNJBSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3CCCO[C@H]3C1)C2 ZINC001169129908 811399328 /nfs/dbraw/zinc/39/93/28/811399328.db2.gz LQHMZBTUXZGFJC-OWYFMNJBSA-N 2 1 264.413 2.113 20 0 CEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H]3CCCO[C@H]3C1)C2 ZINC001169129908 811399336 /nfs/dbraw/zinc/39/93/36/811399336.db2.gz LQHMZBTUXZGFJC-OWYFMNJBSA-N 2 1 264.413 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ncccc31)C2 ZINC001169108964 811404060 /nfs/dbraw/zinc/40/40/60/811404060.db2.gz XFKGXPZHJVGSAB-NFFDBFGFSA-N 2 1 257.381 2.284 20 0 CEADMP CO[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC001169143340 811409250 /nfs/dbraw/zinc/40/92/50/811409250.db2.gz FHPBFPLUILLHTL-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169143340 811409252 /nfs/dbraw/zinc/40/92/52/811409252.db2.gz FHPBFPLUILLHTL-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP CO[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169143340 811409257 /nfs/dbraw/zinc/40/92/57/811409257.db2.gz FHPBFPLUILLHTL-LXTVHRRPSA-N 2 1 252.402 2.113 20 0 CEADMP Cc1ccc(CN(C)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169153886 811415551 /nfs/dbraw/zinc/41/55/51/811415551.db2.gz LRODGSCMHJVZAG-ZSHCYNCHSA-N 2 1 259.397 2.447 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)CC[NH+](C)CC3)C2 ZINC001169155411 811417478 /nfs/dbraw/zinc/41/74/78/811417478.db2.gz OXDKIHULFDWJLZ-FVQHAEBGSA-N 2 1 291.483 2.419 20 0 CEADMP CO[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC001169161728 811420428 /nfs/dbraw/zinc/42/04/28/811420428.db2.gz QFTUCSWZDCLNHZ-VQJWOFKYSA-N 2 1 252.402 2.111 20 0 CEADMP CO[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](C)C1 ZINC001169161728 811420433 /nfs/dbraw/zinc/42/04/33/811420433.db2.gz QFTUCSWZDCLNHZ-VQJWOFKYSA-N 2 1 252.402 2.111 20 0 CEADMP CO[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1 ZINC001169161728 811420440 /nfs/dbraw/zinc/42/04/40/811420440.db2.gz QFTUCSWZDCLNHZ-VQJWOFKYSA-N 2 1 252.402 2.111 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H](C)CCOCC(C)C)CC1 ZINC001172463221 815447851 /nfs/dbraw/zinc/44/78/51/815447851.db2.gz LTTNVHOCFMIYSA-OAHLLOKOSA-N 2 1 286.460 2.138 20 0 CEADMP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCC)C1 ZINC001044170120 811450649 /nfs/dbraw/zinc/45/06/49/811450649.db2.gz LJDNQQUAZCQRQA-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCC)C1 ZINC001044170120 811450654 /nfs/dbraw/zinc/45/06/54/811450654.db2.gz LJDNQQUAZCQRQA-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+]1CCC([NH+]2CCC(c3ncccn3)CC2)CC1 ZINC001169258541 811469097 /nfs/dbraw/zinc/46/90/97/811469097.db2.gz LTSGZWWHUWXDRF-UHFFFAOYSA-N 2 1 274.412 2.140 20 0 CEADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCC(C)C)C1 ZINC001044337112 811472788 /nfs/dbraw/zinc/47/27/88/811472788.db2.gz HNMVJUOOQUPFTK-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCC(C)C)C1 ZINC001044337112 811472794 /nfs/dbraw/zinc/47/27/94/811472794.db2.gz HNMVJUOOQUPFTK-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001169485254 811530836 /nfs/dbraw/zinc/53/08/36/811530836.db2.gz VYVLZVCKVFSWPZ-ZDUSSCGKSA-N 2 1 292.427 2.170 20 0 CEADMP [NH3+][C@@H]1CC[N@H+](Cc2c3cc[nH]c3ncc2Cl)CC[C@@H]1F ZINC001206165069 815458780 /nfs/dbraw/zinc/45/87/80/815458780.db2.gz MBIHZNJDMQIBEB-QWHCGFSZSA-N 2 1 296.777 2.429 20 0 CEADMP [NH3+][C@@H]1CC[N@@H+](Cc2c3cc[nH]c3ncc2Cl)CC[C@@H]1F ZINC001206165069 815458782 /nfs/dbraw/zinc/45/87/82/815458782.db2.gz MBIHZNJDMQIBEB-QWHCGFSZSA-N 2 1 296.777 2.429 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1OC ZINC001206165889 815459411 /nfs/dbraw/zinc/45/94/11/815459411.db2.gz PQXGNPNYVKTCCV-ZIAGYGMSSA-N 2 1 296.386 2.273 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1OC ZINC001206165889 815459415 /nfs/dbraw/zinc/45/94/15/815459415.db2.gz PQXGNPNYVKTCCV-ZIAGYGMSSA-N 2 1 296.386 2.273 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc3ncccc3[nH]2)CCC[C@H]1C[NH3+] ZINC001206014125 811603653 /nfs/dbraw/zinc/60/36/53/811603653.db2.gz WBRGHKQMLDSJFY-STQMWFEESA-N 2 1 272.396 2.370 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)nc2)CCC[C@H]1C[NH3+] ZINC001206014971 811607084 /nfs/dbraw/zinc/60/70/84/811607084.db2.gz YSUXMZFUIKWDMR-YPMHNXCESA-N 2 1 299.365 2.490 20 0 CEADMP CCOC(=O)N1CCC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC001169652405 811607145 /nfs/dbraw/zinc/60/71/45/811607145.db2.gz PAIVFVDHJAMYCG-SHARSMKWSA-N 2 1 297.443 2.199 20 0 CEADMP Cc1nc(-n2ccnc2)cc(NC(C)(C)CC[NH+](C)C)[nH+]1 ZINC001169715962 811639640 /nfs/dbraw/zinc/63/96/40/811639640.db2.gz LXUOLYZURLZMPC-UHFFFAOYSA-N 2 1 288.399 2.113 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cc(O)cc(F)c2)CCC[C@@H]1C[NH3+] ZINC001206024379 811711355 /nfs/dbraw/zinc/71/13/55/811711355.db2.gz JDMOSWLGQSUOHQ-WCQYABFASA-N 2 1 266.360 2.338 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169988496 811843568 /nfs/dbraw/zinc/84/35/68/811843568.db2.gz XSJLDDDYLIEQTG-TZMCWYRMSA-N 2 1 283.460 2.327 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169988496 811843576 /nfs/dbraw/zinc/84/35/76/811843576.db2.gz XSJLDDDYLIEQTG-TZMCWYRMSA-N 2 1 283.460 2.327 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](C3CC(C)(C)N(O)C(C)(C)C3)C[C@@H]2C1 ZINC001169994640 811873854 /nfs/dbraw/zinc/87/38/54/811873854.db2.gz HBDSTTNOBFRUGF-KGLIPLIRSA-N 2 1 295.471 2.281 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](C3CC(C)(C)N(O)C(C)(C)C3)C[C@@H]2C1 ZINC001169994640 811873860 /nfs/dbraw/zinc/87/38/60/811873860.db2.gz HBDSTTNOBFRUGF-KGLIPLIRSA-N 2 1 295.471 2.281 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](C3CC(C)(C)N(O)C(C)(C)C3)C[C@@H]2C1 ZINC001169994640 811873869 /nfs/dbraw/zinc/87/38/69/811873869.db2.gz HBDSTTNOBFRUGF-KGLIPLIRSA-N 2 1 295.471 2.281 20 0 CEADMP C[C@@H](C(=O)OCC[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000770379543 811921582 /nfs/dbraw/zinc/92/15/82/811921582.db2.gz CPFSDOQOBVDFDK-ZNMIVQPWSA-N 2 1 282.428 2.277 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)C3CC3)CC2)C1 ZINC001172623243 815486575 /nfs/dbraw/zinc/48/65/75/815486575.db2.gz ODLFQYHJAOPKAD-CZUORRHYSA-N 2 1 294.439 2.277 20 0 CEADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)C1 ZINC001172623243 815486577 /nfs/dbraw/zinc/48/65/77/815486577.db2.gz ODLFQYHJAOPKAD-CZUORRHYSA-N 2 1 294.439 2.277 20 0 CEADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C)[NH+](CC)CC ZINC001109714397 811932669 /nfs/dbraw/zinc/93/26/69/811932669.db2.gz JHKZNHGRHGHLHE-QXSJWSMHSA-N 2 1 295.471 2.237 20 0 CEADMP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109932397 811971579 /nfs/dbraw/zinc/97/15/79/811971579.db2.gz JOMDBWZPXGBHGZ-FZKCQIBNSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109932397 811971584 /nfs/dbraw/zinc/97/15/84/811971584.db2.gz JOMDBWZPXGBHGZ-FZKCQIBNSA-N 2 1 295.471 2.096 20 0 CEADMP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109932397 811971591 /nfs/dbraw/zinc/97/15/91/811971591.db2.gz JOMDBWZPXGBHGZ-FZKCQIBNSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001110017787 811984552 /nfs/dbraw/zinc/98/45/52/811984552.db2.gz MZFRPBGGCOQWCM-PMPSAXMXSA-N 2 1 293.455 2.016 20 0 CEADMP Cn1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(C2CC2)n1 ZINC001206564466 811988109 /nfs/dbraw/zinc/98/81/09/811988109.db2.gz OKOKLPJTOUTBKB-INIZCTEOSA-N 2 1 276.428 2.248 20 0 CEADMP CCC/C=C/CC[NH+]1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001113351388 812225982 /nfs/dbraw/zinc/22/59/82/812225982.db2.gz ZQPBXGNLCCXYLR-FDMDGMSGSA-N 2 1 295.471 2.217 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000396681740 812255718 /nfs/dbraw/zinc/25/57/18/812255718.db2.gz VVHOFUUVAVHSSA-IINYFYTJSA-N 2 1 254.324 2.237 20 0 CEADMP CCCCCN1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001113682844 812298429 /nfs/dbraw/zinc/29/84/29/812298429.db2.gz UTFNGJSOMSZWIH-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001113682844 812298440 /nfs/dbraw/zinc/29/84/40/812298440.db2.gz UTFNGJSOMSZWIH-INIZCTEOSA-N 2 1 295.471 2.195 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172807454 815526188 /nfs/dbraw/zinc/52/61/88/815526188.db2.gz NHRLDJFFXRUOGU-LSDHHAIUSA-N 2 1 284.444 2.382 20 0 CEADMP C[N@H+]1CCC[C@@H](NC(=[NH2+])c2ccc(Cl)nc2)CC1 ZINC001254500181 812412818 /nfs/dbraw/zinc/41/28/18/812412818.db2.gz GVWXUWGWXHKNML-LLVKDONJSA-N 2 1 266.776 2.134 20 0 CEADMP Cc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001172824755 815527288 /nfs/dbraw/zinc/52/72/88/815527288.db2.gz AFYSUNAQUBEGTF-WMLDXEAASA-N 2 1 258.409 2.394 20 0 CEADMP CCC(CC)C[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129423332 812492115 /nfs/dbraw/zinc/49/21/15/812492115.db2.gz SFRXPOGJAVIXPX-MRXNPFEDSA-N 2 1 297.487 2.391 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CC1CC(C)C1 ZINC001129423318 812492995 /nfs/dbraw/zinc/49/29/95/812492995.db2.gz RZSRSOHIGHRVJG-UYSNPLJNSA-N 2 1 295.471 2.001 20 0 CEADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CCC1CCCC1 ZINC001130428012 812566548 /nfs/dbraw/zinc/56/65/48/812566548.db2.gz YTLIAJWDVMXIMV-UHFFFAOYSA-N 2 1 283.460 2.003 20 0 CEADMP CC[NH+](CC)CCN1CC[NH+](Cc2[nH]c(C)cc2C)CC1 ZINC001137321351 812674584 /nfs/dbraw/zinc/67/45/84/812674584.db2.gz IMTAWOYCOPVGOQ-UHFFFAOYSA-N 2 1 292.471 2.091 20 0 CEADMP Cc1cc[nH+]c2cc(N[C@H](C)[C@H]3C[NH2+]CCO3)ccc12 ZINC001170566570 812684845 /nfs/dbraw/zinc/68/48/45/812684845.db2.gz BDWJHTNXMCKKFE-MLGOLLRUSA-N 2 1 271.364 2.332 20 0 CEADMP C[NH+]1CC2(C1)CC[NH+](Cc1[nH]nc3ccccc31)CC2 ZINC001137350627 812706899 /nfs/dbraw/zinc/70/68/99/812706899.db2.gz AJXHFSQNLJMJNY-UHFFFAOYSA-N 2 1 270.380 2.091 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)C1 ZINC001172927317 815548317 /nfs/dbraw/zinc/54/83/17/815548317.db2.gz FSQVQPYLSIUZIG-CVEARBPZSA-N 2 1 289.423 2.289 20 0 CEADMP CC(C)=CC[NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815505 812735869 /nfs/dbraw/zinc/73/58/69/812735869.db2.gz GMHCQECHJOGCKQ-UHFFFAOYSA-N 2 1 295.471 2.313 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)C1 ZINC001172932169 815551529 /nfs/dbraw/zinc/55/15/29/815551529.db2.gz BECQUCODUUWQMK-JKSUJKDBSA-N 2 1 278.440 2.362 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001172932169 815551534 /nfs/dbraw/zinc/55/15/34/815551534.db2.gz BECQUCODUUWQMK-JKSUJKDBSA-N 2 1 278.440 2.362 20 0 CEADMP CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132409794 812844579 /nfs/dbraw/zinc/84/45/79/812844579.db2.gz FHLCNCNRKTWRCZ-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132409794 812844584 /nfs/dbraw/zinc/84/45/84/812844584.db2.gz FHLCNCNRKTWRCZ-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132409794 812844591 /nfs/dbraw/zinc/84/45/91/812844591.db2.gz FHLCNCNRKTWRCZ-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132432586 812848091 /nfs/dbraw/zinc/84/80/91/812848091.db2.gz DWWCKKVZLNZAFK-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CCC2CC2)C1 ZINC001132441900 812855694 /nfs/dbraw/zinc/85/56/94/812855694.db2.gz VBJSJFAGVMTSIF-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132441900 812855698 /nfs/dbraw/zinc/85/56/98/812855698.db2.gz VBJSJFAGVMTSIF-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2CC2)C1 ZINC001132441900 812855706 /nfs/dbraw/zinc/85/57/06/812855706.db2.gz VBJSJFAGVMTSIF-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132518912 812870330 /nfs/dbraw/zinc/87/03/30/812870330.db2.gz QBGFTOMZDYEHHG-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2CC2)C1 ZINC001132518912 812870337 /nfs/dbraw/zinc/87/03/37/812870337.db2.gz QBGFTOMZDYEHHG-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]CC2CCCC2)C1 ZINC001132737166 812934960 /nfs/dbraw/zinc/93/49/60/812934960.db2.gz JBROZPUNRUWTKX-INIZCTEOSA-N 2 1 295.471 2.004 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](C(C)C)CC1 ZINC001052425722 812990184 /nfs/dbraw/zinc/99/01/84/812990184.db2.gz BQXVYDJMAVAMDS-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC001052425722 812990190 /nfs/dbraw/zinc/99/01/90/812990190.db2.gz BQXVYDJMAVAMDS-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC001052425722 812990196 /nfs/dbraw/zinc/99/01/96/812990196.db2.gz BQXVYDJMAVAMDS-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP c1cn2c([nH+]1)CC[N@H+](C1CCC3(CCOCC3)CC1)CC2 ZINC001173050978 815571035 /nfs/dbraw/zinc/57/10/35/815571035.db2.gz GRASZCZMSAJXFW-UHFFFAOYSA-N 2 1 289.423 2.481 20 0 CEADMP c1cn2c([nH+]1)CC[N@@H+](C1CCC3(CCOCC3)CC1)CC2 ZINC001173050978 815571040 /nfs/dbraw/zinc/57/10/40/815571040.db2.gz GRASZCZMSAJXFW-UHFFFAOYSA-N 2 1 289.423 2.481 20 0 CEADMP CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133345321 813033927 /nfs/dbraw/zinc/03/39/27/813033927.db2.gz AAHLYVYXNIXSIY-JKSUJKDBSA-N 2 1 297.487 2.201 20 0 CEADMP CC(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133345649 813034613 /nfs/dbraw/zinc/03/46/13/813034613.db2.gz FXKWDDVOWYMOAJ-JKSUJKDBSA-N 2 1 297.487 2.057 20 0 CEADMP Cc1cc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)ccn1 ZINC001137418173 813040930 /nfs/dbraw/zinc/04/09/30/813040930.db2.gz OQESATZJHRAECL-UHFFFAOYSA-N 2 1 282.391 2.416 20 0 CEADMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173054356 815571846 /nfs/dbraw/zinc/57/18/46/815571846.db2.gz YDJOGEHHXBJXRV-RDBSUJKOSA-N 2 1 299.459 2.301 20 0 CEADMP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001276380128 813104078 /nfs/dbraw/zinc/10/40/78/813104078.db2.gz YSSCORWOGAFBGA-OAHLLOKOSA-N 2 1 297.487 2.203 20 0 CEADMP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(F)F ZINC000389947992 813258016 /nfs/dbraw/zinc/25/80/16/813258016.db2.gz RJKADBPTRUIDGO-JTQLQIEISA-N 2 1 255.312 2.294 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CCCC[C@H]2C[NH+]2CCCC2)C1 ZINC001255485479 813413353 /nfs/dbraw/zinc/41/33/53/813413353.db2.gz CJKXDBUQDHSZGM-CVEARBPZSA-N 2 1 265.445 2.031 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC=C(C)C ZINC001135437150 813435368 /nfs/dbraw/zinc/43/53/68/813435368.db2.gz PECWKUHYTIDVTP-UHFFFAOYSA-N 2 1 283.460 2.171 20 0 CEADMP C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000396354038 813565678 /nfs/dbraw/zinc/56/56/78/813565678.db2.gz ZVCINTOIFGROPM-HIFRSBDPSA-N 2 1 297.393 2.175 20 0 CEADMP CC[C@@]([NH3+])(CO)Nc1ccc([NH+]2CCCCC2)cc1C ZINC001170865925 813565872 /nfs/dbraw/zinc/56/58/72/813565872.db2.gz KUTDSBNLXMXXAJ-INIZCTEOSA-N 2 1 277.412 2.455 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000396536397 813572320 /nfs/dbraw/zinc/57/23/20/813572320.db2.gz JDYYQGCMMWECCU-RDJZCZTQSA-N 2 1 275.440 2.239 20 0 CEADMP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135981236 813577591 /nfs/dbraw/zinc/57/75/91/813577591.db2.gz ZZGJDWLSDLRZLR-UONOGXRCSA-N 2 1 271.449 2.001 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2COc3ccccc3O2)C[C@H]1C[NH3+] ZINC000397276460 813609907 /nfs/dbraw/zinc/60/99/07/813609907.db2.gz PJXQETHZKBKLBN-BARDWOONSA-N 2 1 290.407 2.132 20 0 CEADMP CC[NH+](CC)Cc1cccc(N[C@@H](N)CCC[NH3+])c1F ZINC001170906873 813632615 /nfs/dbraw/zinc/63/26/15/813632615.db2.gz YJIOSIHFGSOZAO-CQSZACIVSA-N 2 1 282.407 2.103 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnn1C ZINC000398038047 813653590 /nfs/dbraw/zinc/65/35/90/813653590.db2.gz QQLAFYHHZRHGEW-MAUKXSAKSA-N 2 1 298.434 2.420 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnn1C ZINC000398038047 813653592 /nfs/dbraw/zinc/65/35/92/813653592.db2.gz QQLAFYHHZRHGEW-MAUKXSAKSA-N 2 1 298.434 2.420 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001074026186 813799479 /nfs/dbraw/zinc/79/94/79/813799479.db2.gz NEYQUPAYVDEECG-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001074026186 813799486 /nfs/dbraw/zinc/79/94/86/813799486.db2.gz NEYQUPAYVDEECG-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001074026186 813799491 /nfs/dbraw/zinc/79/94/91/813799491.db2.gz NEYQUPAYVDEECG-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[C@@H](CC(C)C)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246415664 813815211 /nfs/dbraw/zinc/81/52/11/813815211.db2.gz JGTPPKYGJGFZRQ-KBPBESRZSA-N 2 1 272.433 2.461 20 0 CEADMP CC[C@@]1([NH2+][C@@H](C)Cc2ccc(F)cc2)CC[NH2+]C1 ZINC001246462128 813842218 /nfs/dbraw/zinc/84/22/18/813842218.db2.gz QVPCIMTVRHQNNU-SWLSCSKDSA-N 2 1 250.361 2.488 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2c(c1)COC2 ZINC001137029418 813842991 /nfs/dbraw/zinc/84/29/91/813842991.db2.gz XJHAAKFOCFKAGN-UHFFFAOYSA-N 2 1 262.397 2.490 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)COC2 ZINC001137029418 813843000 /nfs/dbraw/zinc/84/30/00/813843000.db2.gz XJHAAKFOCFKAGN-UHFFFAOYSA-N 2 1 262.397 2.490 20 0 CEADMP [NH3+][C@@H]1CCCC[C@@H]1N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246477397 813860807 /nfs/dbraw/zinc/86/08/07/813860807.db2.gz IFIXCNIPXWUAHD-IMJJTQAJSA-N 2 1 265.445 2.253 20 0 CEADMP N[C@@H]1C[C@@H](O)C[N@@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246537468 813932312 /nfs/dbraw/zinc/93/23/12/813932312.db2.gz CHIMUBUBOXGUHH-UKRRQHHQSA-N 2 1 266.429 2.273 20 0 CEADMP N[C@@H]1C[C@@H](O)C[N@H+](C2CCC3(CCCCC3)CC2)C1 ZINC001246537468 813932316 /nfs/dbraw/zinc/93/23/16/813932316.db2.gz CHIMUBUBOXGUHH-UKRRQHHQSA-N 2 1 266.429 2.273 20 0 CEADMP CC[C@@H]1CC([N@@H+]2CCC[C@H]([NH3+])CC2)C[C@@H](CC)[NH2+]1 ZINC001246542483 813958123 /nfs/dbraw/zinc/95/81/23/813958123.db2.gz PPFCPPZMQCMYCM-BFHYXJOUSA-N 3 1 253.434 2.109 20 0 CEADMP CC[C@@H]1CC([N@H+]2CCC[C@H]([NH3+])CC2)C[C@@H](CC)[NH2+]1 ZINC001246542483 813958126 /nfs/dbraw/zinc/95/81/26/813958126.db2.gz PPFCPPZMQCMYCM-BFHYXJOUSA-N 3 1 253.434 2.109 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2cc[nH]c2n1 ZINC001144188405 813990069 /nfs/dbraw/zinc/99/00/69/813990069.db2.gz YYEMTKOMSBLKRJ-UHFFFAOYSA-N 2 1 260.385 2.337 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2cc[nH]c2n1 ZINC001144188405 813990072 /nfs/dbraw/zinc/99/00/72/813990072.db2.gz YYEMTKOMSBLKRJ-UHFFFAOYSA-N 2 1 260.385 2.337 20 0 CEADMP CC[C@@H]1CC([N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246553762 814019209 /nfs/dbraw/zinc/01/92/09/814019209.db2.gz UKTYNBPNKCXZOH-GBJTYRQASA-N 3 1 267.461 2.212 20 0 CEADMP CC[C@@H]1CC([N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C[C@@H](CC)[NH2+]1 ZINC001246553762 814019218 /nfs/dbraw/zinc/01/92/18/814019218.db2.gz UKTYNBPNKCXZOH-GBJTYRQASA-N 3 1 267.461 2.212 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)CCO1 ZINC001246557857 814035103 /nfs/dbraw/zinc/03/51/03/814035103.db2.gz LOIUCLLNCQXJNS-KBUPBQIOSA-N 2 1 254.418 2.251 20 0 CEADMP C[N@H+]1CCCC[C@@H]1c1ccc(NCC(C)(C)[NH3+])nc1 ZINC001171191328 814082333 /nfs/dbraw/zinc/08/23/33/814082333.db2.gz PDZJSCUIMLYRPJ-CYBMUJFWSA-N 2 1 262.401 2.388 20 0 CEADMP c1[nH+]c(CN2CC[NH+](C3CCCC3)CC2)c2ccccn12 ZINC001144623210 814132778 /nfs/dbraw/zinc/13/27/78/814132778.db2.gz SYILJRLMDCYXNN-UHFFFAOYSA-N 2 1 284.407 2.395 20 0 CEADMP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001256145023 814143125 /nfs/dbraw/zinc/14/31/25/814143125.db2.gz VRBNYAJIZZJGPN-ZFWWWQNUSA-N 2 1 262.397 2.168 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246580494 814149143 /nfs/dbraw/zinc/14/91/43/814149143.db2.gz NEFIAKOQEDNTNL-DZGCQCFKSA-N 2 1 288.407 2.261 20 0 CEADMP COC(=O)CCCC[C@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246580494 814149145 /nfs/dbraw/zinc/14/91/45/814149145.db2.gz NEFIAKOQEDNTNL-DZGCQCFKSA-N 2 1 288.407 2.261 20 0 CEADMP [NH3+]C[C@H]1CCCC[N@H+]([C@@H]2CCc3ncsc3C2)C1 ZINC001246583436 814158765 /nfs/dbraw/zinc/15/87/65/814158765.db2.gz QVDHHZKCUXQFII-VXGBXAGGSA-N 2 1 265.426 2.061 20 0 CEADMP c1cc2c(c(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c1)OCO2 ZINC000125763961 814184287 /nfs/dbraw/zinc/18/42/87/814184287.db2.gz CBRSNMRCIQASMX-UHFFFAOYSA-N 2 1 297.358 2.133 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001100827789 814194664 /nfs/dbraw/zinc/19/46/64/814194664.db2.gz UDMOWDBYYLMNOL-UHFFFAOYSA-N 2 1 295.471 2.003 20 0 CEADMP CC/C=C/CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101035916 814215544 /nfs/dbraw/zinc/21/55/44/814215544.db2.gz DVIASUWEEDHPIZ-VOTSOKGWSA-N 2 1 295.471 2.167 20 0 CEADMP CC1(C)CCC[C@@H]([N@H+]2CCO[C@@]3(CCC[NH2+]C3)C2)C1 ZINC001246622768 814221617 /nfs/dbraw/zinc/22/16/17/814221617.db2.gz RYQSXDVYLRSYRP-GDBMZVCRSA-N 2 1 266.429 2.410 20 0 CEADMP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@]23CC[NH2+]C3)CCO1 ZINC001246644753 814241933 /nfs/dbraw/zinc/24/19/33/814241933.db2.gz RXKBYNPKZASREV-RBSFLKMASA-N 2 1 252.402 2.162 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001146711755 814312623 /nfs/dbraw/zinc/31/26/23/814312623.db2.gz WFZMCYJNQPQJIT-OAHLLOKOSA-N 2 1 291.439 2.104 20 0 CEADMP CC(C)CCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318632 814377658 /nfs/dbraw/zinc/37/76/58/814377658.db2.gz BSWAXRYQOXORGS-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CC(C)[C@@H]1C[C@H]([N@H+](C2CCC2)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246972570 814475741 /nfs/dbraw/zinc/47/57/41/814475741.db2.gz CPVMRHWGFSPYFO-SJORKVTESA-N 3 1 279.472 2.370 20 0 CEADMP CC(C)[C@@H]1C[C@H]([N@@H+](C2CCC2)C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246972570 814475743 /nfs/dbraw/zinc/47/57/43/814475743.db2.gz CPVMRHWGFSPYFO-SJORKVTESA-N 3 1 279.472 2.370 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC1CCCCCC1 ZINC001148638356 814599405 /nfs/dbraw/zinc/59/94/05/814599405.db2.gz FZZQMFZMOXMIEH-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)cc1Cl ZINC001247507673 814684722 /nfs/dbraw/zinc/68/47/22/814684722.db2.gz MNRUKLDLPBVGLL-NSHDSACASA-N 2 1 280.759 2.437 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)O2)CC[C@@H]1[NH3+] ZINC000712412465 814742814 /nfs/dbraw/zinc/74/28/14/814742814.db2.gz BOAGSVVNKAGLSY-MCIONIFRSA-N 2 1 252.402 2.147 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])C[C@@H]1CC2(CO1)CCOCC2 ZINC000712614627 814758179 /nfs/dbraw/zinc/75/81/79/814758179.db2.gz BFAHKDXYGGXANW-HNNXBMFYSA-N 2 1 284.444 2.023 20 0 CEADMP CC(C)CCOCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713218535 814846575 /nfs/dbraw/zinc/84/65/75/814846575.db2.gz WJXIEFJTFRGOPX-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP CC(C)CCOCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713218535 814846579 /nfs/dbraw/zinc/84/65/79/814846579.db2.gz WJXIEFJTFRGOPX-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713244509 814847396 /nfs/dbraw/zinc/84/73/96/814847396.db2.gz UNHMRQWDUDUHPQ-RBSFLKMASA-N 2 1 264.413 2.162 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713244509 814847399 /nfs/dbraw/zinc/84/73/99/814847399.db2.gz UNHMRQWDUDUHPQ-RBSFLKMASA-N 2 1 264.413 2.162 20 0 CEADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCCOC(F)(F)F ZINC000713406593 814852165 /nfs/dbraw/zinc/85/21/65/814852165.db2.gz RMBRDZBFVMMMDV-JTQLQIEISA-N 2 1 254.296 2.116 20 0 CEADMP Cc1cc(N(C)C)[nH+]cc1N1c2ccccc2OC[C@@H]1C[NH3+] ZINC001171398794 814872341 /nfs/dbraw/zinc/87/23/41/814872341.db2.gz CFRXZOPNFXDHPY-ZDUSSCGKSA-N 2 1 298.390 2.314 20 0 CEADMP Cc1ccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000714993788 814921704 /nfs/dbraw/zinc/92/17/04/814921704.db2.gz FDTLELJDLJHWLK-RDJZCZTQSA-N 2 1 274.408 2.448 20 0 CEADMP CC[N@@H+]1CC[C@H](n2cc(C(=O)C[NH3+])c3ccccc32)C1 ZINC001173350852 815687591 /nfs/dbraw/zinc/68/75/91/815687591.db2.gz QOUXRSPRARHEJM-LBPRGKRZSA-N 2 1 271.364 2.049 20 0 CEADMP CC[N@H+]1CC[C@H](n2cc(C(=O)C[NH3+])c3ccccc32)C1 ZINC001173350852 815687593 /nfs/dbraw/zinc/68/75/93/815687593.db2.gz QOUXRSPRARHEJM-LBPRGKRZSA-N 2 1 271.364 2.049 20 0 CEADMP CC[N@H+]1CC[C@@H](n2cc(C[NH3+])c3ccc(OC)cc32)C1 ZINC001173354927 815696138 /nfs/dbraw/zinc/69/61/38/815696138.db2.gz KYRGCCODVOTHJI-CYBMUJFWSA-N 2 1 273.380 2.375 20 0 CEADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](C)CCC[NH+](C)C)CC2 ZINC001173614467 815751477 /nfs/dbraw/zinc/75/14/77/815751477.db2.gz WISBFZDRCVRMBC-ISXOHVOVSA-N 2 1 296.455 2.382 20 0 CEADMP C[C@@H]1CC([N@@H+]2CC[C@H](N)C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173673905 815785935 /nfs/dbraw/zinc/78/59/35/815785935.db2.gz URMYVZLRUGVASZ-UPJWGTAASA-N 2 1 297.443 2.196 20 0 CEADMP C[C@@H]1CC([N@H+]2CC[C@H](N)C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173673905 815785940 /nfs/dbraw/zinc/78/59/40/815785940.db2.gz URMYVZLRUGVASZ-UPJWGTAASA-N 2 1 297.443 2.196 20 0 CEADMP C[C@@H]1CC([N@@H+]2CC[C@H]([NH3+])C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173673905 815785945 /nfs/dbraw/zinc/78/59/45/815785945.db2.gz URMYVZLRUGVASZ-UPJWGTAASA-N 2 1 297.443 2.196 20 0 CEADMP C[C@@H]1CC([N@H+]2CC[C@H]([NH3+])C2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173673905 815785949 /nfs/dbraw/zinc/78/59/49/815785949.db2.gz URMYVZLRUGVASZ-UPJWGTAASA-N 2 1 297.443 2.196 20 0 CEADMP CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)s1 ZINC001138493681 815813857 /nfs/dbraw/zinc/81/38/57/815813857.db2.gz TUEKBNZUBHDZIM-OAHLLOKOSA-N 2 1 279.453 2.342 20 0 CEADMP CN(C)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)s1 ZINC001138493681 815813865 /nfs/dbraw/zinc/81/38/65/815813865.db2.gz TUEKBNZUBHDZIM-OAHLLOKOSA-N 2 1 279.453 2.342 20 0 CEADMP CN(C)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)s1 ZINC001138493681 815813873 /nfs/dbraw/zinc/81/38/73/815813873.db2.gz TUEKBNZUBHDZIM-OAHLLOKOSA-N 2 1 279.453 2.342 20 0 CEADMP CN(C)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)s1 ZINC001138493681 815813878 /nfs/dbraw/zinc/81/38/78/815813878.db2.gz TUEKBNZUBHDZIM-OAHLLOKOSA-N 2 1 279.453 2.342 20 0 CEADMP CCCn1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cn1 ZINC001139039941 815947975 /nfs/dbraw/zinc/94/79/75/815947975.db2.gz INRFCEJQJOMPFQ-UHFFFAOYSA-N 2 1 276.428 2.211 20 0 CEADMP Cc1c[nH+]ccc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174443981 816002455 /nfs/dbraw/zinc/00/24/55/816002455.db2.gz NYONXLFCIPPMBI-UHFFFAOYSA-N 2 1 283.375 2.388 20 0 CEADMP c1cn(-c2ccc(C[N@H+]3CC[C@H]4OCC[C@H]43)cc2)cn1 ZINC001139356618 816011180 /nfs/dbraw/zinc/01/11/80/816011180.db2.gz OWFKRTWODGEISN-HZPDHXFCSA-N 2 1 269.348 2.236 20 0 CEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC001139361766 816013803 /nfs/dbraw/zinc/01/38/03/816013803.db2.gz XZIDNIQXDOSPGQ-SJLPKXTDSA-N 2 1 296.418 2.256 20 0 CEADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC001139361766 816013810 /nfs/dbraw/zinc/01/38/10/816013810.db2.gz XZIDNIQXDOSPGQ-SJLPKXTDSA-N 2 1 296.418 2.256 20 0 CEADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(N(C)C)nc1 ZINC001139457906 816027886 /nfs/dbraw/zinc/02/78/86/816027886.db2.gz BKFBCLJLOPQHCJ-UHFFFAOYSA-N 2 1 278.444 2.311 20 0 CEADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(N(C)C)nc1 ZINC001139457906 816027892 /nfs/dbraw/zinc/02/78/92/816027892.db2.gz BKFBCLJLOPQHCJ-UHFFFAOYSA-N 2 1 278.444 2.311 20 0 CEADMP CC[N@H+](CCC[NH+](C)C)CCN(C)C(=O)OC(C)(C)C ZINC001203001509 816189271 /nfs/dbraw/zinc/18/92/71/816189271.db2.gz DJMMKNADARZMLN-UHFFFAOYSA-N 2 1 287.448 2.127 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)CCN(C)C(=O)OC(C)(C)C ZINC001203001509 816189273 /nfs/dbraw/zinc/18/92/73/816189273.db2.gz DJMMKNADARZMLN-UHFFFAOYSA-N 2 1 287.448 2.127 20 0 CEADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(O)c(C)c3)C[C@H]2C1 ZINC001140579675 816289778 /nfs/dbraw/zinc/28/97/78/816289778.db2.gz CNGYQUZYHJVXJY-HUUCEWRRSA-N 2 1 260.381 2.084 20 0 CEADMP COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(C)c1 ZINC001140677462 816318393 /nfs/dbraw/zinc/31/83/93/816318393.db2.gz OLHYRHHBZPPKKQ-NVXWUHKLSA-N 2 1 274.408 2.387 20 0 CEADMP COc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(C)c1 ZINC001140677462 816318400 /nfs/dbraw/zinc/31/84/00/816318400.db2.gz OLHYRHHBZPPKKQ-NVXWUHKLSA-N 2 1 274.408 2.387 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001176022572 816327011 /nfs/dbraw/zinc/32/70/11/816327011.db2.gz BVHCCKFDNAEWND-HNNXBMFYSA-N 2 1 297.487 2.393 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001176286444 816377896 /nfs/dbraw/zinc/37/78/96/816377896.db2.gz WIIWWUSRHDQBPF-HNNXBMFYSA-N 2 1 297.487 2.393 20 0 CEADMP CC[NH+](CC)CCN1CC[NH+](Cc2[nH]cc(C)c2C)CC1 ZINC001140856821 816385803 /nfs/dbraw/zinc/38/58/03/816385803.db2.gz NIUAUKSSMNSRLX-UHFFFAOYSA-N 2 1 292.471 2.091 20 0 CEADMP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563615 816441130 /nfs/dbraw/zinc/44/11/30/816441130.db2.gz GFMSJBIVMJRFNM-HZPDHXFCSA-N 2 1 297.487 2.249 20 0 CEADMP CCC(CC)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176992234 816504829 /nfs/dbraw/zinc/50/48/29/816504829.db2.gz KCBAWCZDWOQTAS-INIZCTEOSA-N 2 1 297.487 2.393 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+]1CC=CC12CCCCC2)C1CC1 ZINC001176994975 816507130 /nfs/dbraw/zinc/50/71/30/816507130.db2.gz FYAUUCQOKXVORX-OAHLLOKOSA-N 2 1 264.413 2.016 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+]1CC=CC12CCCCC2)C1CC1 ZINC001176994975 816507135 /nfs/dbraw/zinc/50/71/35/816507135.db2.gz FYAUUCQOKXVORX-OAHLLOKOSA-N 2 1 264.413 2.016 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+]1CC=CC12CCCCC2)C1CC1 ZINC001176994975 816507139 /nfs/dbraw/zinc/50/71/39/816507139.db2.gz FYAUUCQOKXVORX-OAHLLOKOSA-N 2 1 264.413 2.016 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+]1CC=CC12CCCCC2)C1CC1 ZINC001176994975 816507145 /nfs/dbraw/zinc/50/71/45/816507145.db2.gz FYAUUCQOKXVORX-OAHLLOKOSA-N 2 1 264.413 2.016 20 0 CEADMP CN(C)c1cccc(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001141257392 816514399 /nfs/dbraw/zinc/51/43/99/816514399.db2.gz CYBCGXRLRFDWRP-UHFFFAOYSA-N 2 1 261.413 2.279 20 0 CEADMP CN(C)c1cccc(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001141257392 816514403 /nfs/dbraw/zinc/51/44/03/816514403.db2.gz CYBCGXRLRFDWRP-UHFFFAOYSA-N 2 1 261.413 2.279 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc3nonc32)CC1 ZINC001206297326 816535451 /nfs/dbraw/zinc/53/54/51/816535451.db2.gz XQNUZPQRXUTLTK-OAHLLOKOSA-N 2 1 274.368 2.174 20 0 CEADMP C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001178045143 816663734 /nfs/dbraw/zinc/66/37/34/816663734.db2.gz DXCVFBDGTGYYLA-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4nn(C)cc43)C[C@@H]2C1 ZINC001142468869 816672167 /nfs/dbraw/zinc/67/21/67/816672167.db2.gz VINDLUNPZDETEW-IYBDPMFKSA-N 2 1 298.434 2.347 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4nn(C)cc43)C[C@@H]2C1 ZINC001142468869 816672176 /nfs/dbraw/zinc/67/21/76/816672176.db2.gz VINDLUNPZDETEW-IYBDPMFKSA-N 2 1 298.434 2.347 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4nn(C)cc43)C[C@@H]2C1 ZINC001142468869 816672184 /nfs/dbraw/zinc/67/21/84/816672184.db2.gz VINDLUNPZDETEW-IYBDPMFKSA-N 2 1 298.434 2.347 20 0 CEADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)CC1 ZINC001206317764 816690841 /nfs/dbraw/zinc/69/08/41/816690841.db2.gz IGIUMNXHHMWHDT-INIZCTEOSA-N 3 1 293.480 2.345 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc2[nH]cnc21 ZINC001142687522 816710411 /nfs/dbraw/zinc/71/04/11/816710411.db2.gz VNBQDLOSFGOPNX-UHFFFAOYSA-N 2 1 272.396 2.481 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2[nH]cnc21 ZINC001142687522 816710416 /nfs/dbraw/zinc/71/04/16/816710416.db2.gz VNBQDLOSFGOPNX-UHFFFAOYSA-N 2 1 272.396 2.481 20 0 CEADMP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178361437 816732440 /nfs/dbraw/zinc/73/24/40/816732440.db2.gz YZBDEINJCGOXEK-BPUTZDHNSA-N 2 1 295.471 2.096 20 0 CEADMP COc1cc(C)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC001142941570 816760456 /nfs/dbraw/zinc/76/04/56/816760456.db2.gz GZXDOJJVPJZSCB-GASCZTMLSA-N 2 1 274.408 2.305 20 0 CEADMP COc1cc(C)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)c1 ZINC001142941570 816760462 /nfs/dbraw/zinc/76/04/62/816760462.db2.gz GZXDOJJVPJZSCB-GASCZTMLSA-N 2 1 274.408 2.305 20 0 CEADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C(F)F)cc1 ZINC001143252294 816819619 /nfs/dbraw/zinc/81/96/19/816819619.db2.gz ZAZVUQARQNCRDN-UHFFFAOYSA-N 2 1 297.393 2.303 20 0 CEADMP CCCn1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)c(C)n1 ZINC001179265877 816845739 /nfs/dbraw/zinc/84/57/39/816845739.db2.gz DZWZPVQXGVTLQP-GFCCVEGCSA-N 2 1 252.406 2.031 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000337409851 214062454 /nfs/dbraw/zinc/06/24/54/214062454.db2.gz VKJCYZSICSHICD-GJZGRUSLSA-N 2 1 265.401 2.376 20 0 CEADMP COC1(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCCCC1 ZINC000336313545 365554372 /nfs/dbraw/zinc/55/43/72/365554372.db2.gz WDYSJNVURMONGP-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP COC1(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CCCCC1 ZINC000336313545 365554375 /nfs/dbraw/zinc/55/43/75/365554375.db2.gz WDYSJNVURMONGP-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP COC1(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CCCCC1 ZINC000336313545 365554380 /nfs/dbraw/zinc/55/43/80/365554380.db2.gz WDYSJNVURMONGP-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000121498392 365575939 /nfs/dbraw/zinc/57/59/39/365575939.db2.gz NYGOOKZRTYXCSH-WBVHZDCISA-N 2 1 287.451 2.369 20 0 CEADMP CCC[NH2+][C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000449106164 282102620 /nfs/dbraw/zinc/10/26/20/282102620.db2.gz HBYORNNVLNMDHQ-AWEZNQCLSA-N 2 1 283.460 2.097 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000127746181 187330408 /nfs/dbraw/zinc/33/04/08/187330408.db2.gz BDCNTANGPNWSAO-RBSFLKMASA-N 2 1 277.412 2.099 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000127746181 187330409 /nfs/dbraw/zinc/33/04/09/187330409.db2.gz BDCNTANGPNWSAO-RBSFLKMASA-N 2 1 277.412 2.099 20 0 CEADMP CCC(CC)(C[NH2+]Cc1c[nH+]ccc1N(C)C)OC ZINC000291628633 282118574 /nfs/dbraw/zinc/11/85/74/282118574.db2.gz AHOMMXWPSZGXGP-UHFFFAOYSA-N 2 1 265.401 2.442 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCc3ccccc3C2)CC[N@H+]1C ZINC000121731101 365607732 /nfs/dbraw/zinc/60/77/32/365607732.db2.gz SNTOIIPWQMSJRR-QAPCUYQASA-N 2 1 287.451 2.117 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCc3ccccc3C2)CCN1C ZINC000121731101 365607737 /nfs/dbraw/zinc/60/77/37/365607737.db2.gz SNTOIIPWQMSJRR-QAPCUYQASA-N 2 1 287.451 2.117 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000336541874 365621976 /nfs/dbraw/zinc/62/19/76/365621976.db2.gz WMSZJYQEJQCVFI-QGZVFWFLSA-N 2 1 273.424 2.280 20 0 CEADMP CN(C)c1ccccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336541874 365621981 /nfs/dbraw/zinc/62/19/81/365621981.db2.gz WMSZJYQEJQCVFI-QGZVFWFLSA-N 2 1 273.424 2.280 20 0 CEADMP CN(C)c1ccccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336541874 365621988 /nfs/dbraw/zinc/62/19/88/365621988.db2.gz WMSZJYQEJQCVFI-QGZVFWFLSA-N 2 1 273.424 2.280 20 0 CEADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000125641830 365681079 /nfs/dbraw/zinc/68/10/79/365681079.db2.gz SGHKRTWAMGWIHI-NSHDSACASA-N 2 1 254.324 2.396 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000125641830 365681083 /nfs/dbraw/zinc/68/10/83/365681083.db2.gz SGHKRTWAMGWIHI-NSHDSACASA-N 2 1 254.324 2.396 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)c1 ZINC000621331990 349564262 /nfs/dbraw/zinc/56/42/62/349564262.db2.gz XCQIXAOIWPAXBV-AWEZNQCLSA-N 2 1 277.412 2.302 20 0 CEADMP CCOc1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC000621331990 349564265 /nfs/dbraw/zinc/56/42/65/349564265.db2.gz XCQIXAOIWPAXBV-AWEZNQCLSA-N 2 1 277.412 2.302 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]CCCOC2CCCC2)CC[N@H+]1C ZINC000125230793 187175403 /nfs/dbraw/zinc/17/54/03/187175403.db2.gz JAMRWZFOWDDTKH-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000037643782 361915366 /nfs/dbraw/zinc/91/53/66/361915366.db2.gz ONMZNDDTXOCOLY-LBPRGKRZSA-N 2 1 254.324 2.396 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000037643782 361915370 /nfs/dbraw/zinc/91/53/70/361915370.db2.gz ONMZNDDTXOCOLY-LBPRGKRZSA-N 2 1 254.324 2.396 20 0 CEADMP CCC[C@](C)([NH3+])C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000037901369 361962484 /nfs/dbraw/zinc/96/24/84/361962484.db2.gz BSZHYWUBIPRSPP-INIZCTEOSA-N 2 1 283.460 2.275 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009632 361979182 /nfs/dbraw/zinc/97/91/82/361979182.db2.gz FTZSDNCEGOWZGK-VDERGJSUSA-N 2 1 274.408 2.308 20 0 CEADMP Cc1cc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(C)[nH+]1 ZINC000038019290 361984336 /nfs/dbraw/zinc/98/43/36/361984336.db2.gz RWDHCQNMBFNZDM-AGUYFDCRSA-N 2 1 260.385 2.378 20 0 CEADMP Cc1cc(NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(C)[nH+]1 ZINC000038019290 361984340 /nfs/dbraw/zinc/98/43/40/361984340.db2.gz RWDHCQNMBFNZDM-AGUYFDCRSA-N 2 1 260.385 2.378 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccco1)N1CC[NH+](C)CC1 ZINC000040770120 361996140 /nfs/dbraw/zinc/99/61/40/361996140.db2.gz YSRSFVVMPFKRIR-LSDHHAIUSA-N 2 1 279.428 2.202 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621648877 349650461 /nfs/dbraw/zinc/65/04/61/349650461.db2.gz AZZXSCDETFGNJW-HZPDHXFCSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@H](Cc1ccoc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000449281874 282170434 /nfs/dbraw/zinc/17/04/34/282170434.db2.gz FVYLFNVAIPVKLT-CABCVRRESA-N 2 1 280.412 2.301 20 0 CEADMP C[C@H](Cc1ccoc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000449281874 282170436 /nfs/dbraw/zinc/17/04/36/282170436.db2.gz FVYLFNVAIPVKLT-CABCVRRESA-N 2 1 280.412 2.301 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000125844041 187202199 /nfs/dbraw/zinc/20/21/99/187202199.db2.gz PKNDXKBDRBYKAH-KBPBESRZSA-N 2 1 264.417 2.191 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000125844041 187202200 /nfs/dbraw/zinc/20/22/00/187202200.db2.gz PKNDXKBDRBYKAH-KBPBESRZSA-N 2 1 264.417 2.191 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000090409147 539186496 /nfs/dbraw/zinc/18/64/96/539186496.db2.gz XWIVJGIETAGPMX-TZMCWYRMSA-N 2 1 297.468 2.339 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000449319509 282186119 /nfs/dbraw/zinc/18/61/19/282186119.db2.gz KELIYCJUHSKQDM-SOUVJXGZSA-N 2 1 297.487 2.390 20 0 CEADMP CCc1cc(NCC2(SC)CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000357579188 529505230 /nfs/dbraw/zinc/50/52/30/529505230.db2.gz ITHVGYMGKSUUJW-UHFFFAOYSA-N 2 1 294.468 2.009 20 0 CEADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cnn(C)c1 ZINC000125915256 187204976 /nfs/dbraw/zinc/20/49/76/187204976.db2.gz BMZWNTBAWDCJRM-GXTWGEPZSA-N 2 1 266.433 2.437 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccn1 ZINC000621776225 349698565 /nfs/dbraw/zinc/69/85/65/349698565.db2.gz GMLYQFLNTGABCD-BBWFWOEESA-N 2 1 289.423 2.251 20 0 CEADMP Cc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccn1 ZINC000621776866 349699563 /nfs/dbraw/zinc/69/95/63/349699563.db2.gz YMBYBNJLTIOWEY-CQSZACIVSA-N 2 1 259.397 2.354 20 0 CEADMP COc1cccc(CCC[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621781372 349701401 /nfs/dbraw/zinc/70/14/01/349701401.db2.gz CQDABAPZAJIDHU-DOTOQJQBSA-N 2 1 274.408 2.441 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000621783014 349701880 /nfs/dbraw/zinc/70/18/80/349701880.db2.gz WCBPKLFYLIRRQE-WBVHZDCISA-N 2 1 282.391 2.186 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000621783014 349701884 /nfs/dbraw/zinc/70/18/84/349701884.db2.gz WCBPKLFYLIRRQE-WBVHZDCISA-N 2 1 282.391 2.186 20 0 CEADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCCCC1CCOCC1)C2 ZINC000621784536 349702192 /nfs/dbraw/zinc/70/21/92/349702192.db2.gz QFQQHIFHZLXGAU-HOTGVXAUSA-N 2 1 266.429 2.397 20 0 CEADMP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]CC[C@H]1CCOC1 ZINC000668617337 539215284 /nfs/dbraw/zinc/21/52/84/539215284.db2.gz YIIGGCAFIJFQKU-CABCVRRESA-N 2 1 254.418 2.123 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C2([NH3+])CCC2)cc1 ZINC000449359501 282199886 /nfs/dbraw/zinc/19/98/86/282199886.db2.gz FJXNKBPPVLCKCT-GFCCVEGCSA-N 2 1 298.390 2.239 20 0 CEADMP C(=C/C[N@H+]1CCCSCC1)\C[NH+]1CCCSCC1 ZINC000129207498 539257479 /nfs/dbraw/zinc/25/74/79/539257479.db2.gz UMUXAVMDSDDUSY-OWOJBTEDSA-N 2 1 286.510 2.420 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@@H]1CC1(F)F ZINC000622016946 349770821 /nfs/dbraw/zinc/77/08/21/349770821.db2.gz WBHYRIMGJZGUQC-CABCVRRESA-N 2 1 298.377 2.114 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@@H]1CC1(F)F ZINC000622016946 349770824 /nfs/dbraw/zinc/77/08/24/349770824.db2.gz WBHYRIMGJZGUQC-CABCVRRESA-N 2 1 298.377 2.114 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H]2CC=CCC2)CCO1 ZINC000668785368 539272074 /nfs/dbraw/zinc/27/20/74/539272074.db2.gz PCEJVEPQASBZDB-HOTGVXAUSA-N 2 1 266.429 2.385 20 0 CEADMP CO[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000132901080 539270778 /nfs/dbraw/zinc/27/07/78/539270778.db2.gz LGKOTPZLURMFOO-KGLIPLIRSA-N 2 1 254.418 2.408 20 0 CEADMP CO[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000132901524 539270784 /nfs/dbraw/zinc/27/07/84/539270784.db2.gz LGKOTPZLURMFOO-ZIAGYGMSSA-N 2 1 254.418 2.408 20 0 CEADMP CC[NH+]1CCC([NH2+]C2(COC)CCCCC2)CC1 ZINC000668811270 539276457 /nfs/dbraw/zinc/27/64/57/539276457.db2.gz PWEVUETYNMANTC-UHFFFAOYSA-N 2 1 254.418 2.410 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C1CCCC1 ZINC000378369368 282214872 /nfs/dbraw/zinc/21/48/72/282214872.db2.gz JEHINPPDHLTMPG-KFWWJZLASA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+](Cc1cc(F)ncc1F)CC1CC[NH+](C)CC1 ZINC000294980459 199282128 /nfs/dbraw/zinc/28/21/28/199282128.db2.gz XKWZYKTVLIKXCT-UHFFFAOYSA-N 2 1 269.339 2.133 20 0 CEADMP C[N@H+](Cc1cc(F)ncc1F)CC1CC[NH+](C)CC1 ZINC000294980459 199282130 /nfs/dbraw/zinc/28/21/30/199282130.db2.gz XKWZYKTVLIKXCT-UHFFFAOYSA-N 2 1 269.339 2.133 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000336625628 365737206 /nfs/dbraw/zinc/73/72/06/365737206.db2.gz FFBFIPVSFJLTDU-IAQYHMDHSA-N 2 1 278.444 2.424 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000336625628 365737210 /nfs/dbraw/zinc/73/72/10/365737210.db2.gz FFBFIPVSFJLTDU-IAQYHMDHSA-N 2 1 278.444 2.424 20 0 CEADMP CC1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000434759520 539299137 /nfs/dbraw/zinc/29/91/37/539299137.db2.gz ONWQJZRTQYZHFR-SFHVURJKSA-N 2 1 288.435 2.403 20 0 CEADMP CC1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000434759520 539299138 /nfs/dbraw/zinc/29/91/38/539299138.db2.gz ONWQJZRTQYZHFR-SFHVURJKSA-N 2 1 288.435 2.403 20 0 CEADMP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000336657386 365752057 /nfs/dbraw/zinc/75/20/57/365752057.db2.gz RFIYACNRANJXPN-GOSISDBHSA-N 2 1 288.435 2.402 20 0 CEADMP Cc1cc(N2CCC([NH2+]CC3CC3)CC2)nc(C)[nH+]1 ZINC000148935497 136393368 /nfs/dbraw/zinc/39/33/68/136393368.db2.gz YGSHSSFFGZRVLB-UHFFFAOYSA-N 2 1 260.385 2.062 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000351261606 219087031 /nfs/dbraw/zinc/08/70/31/219087031.db2.gz WZMHBFBTJACTSP-HNNXBMFYSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](C(C)C)C1 ZINC000351261606 219087034 /nfs/dbraw/zinc/08/70/34/219087034.db2.gz WZMHBFBTJACTSP-HNNXBMFYSA-N 2 1 265.401 2.329 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1nccs1 ZINC000336699311 365765703 /nfs/dbraw/zinc/76/57/03/365765703.db2.gz GTIXIMZRHMFJCO-UHFFFAOYSA-N 2 1 264.398 2.213 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1nccs1 ZINC000336699311 365765706 /nfs/dbraw/zinc/76/57/06/365765706.db2.gz GTIXIMZRHMFJCO-UHFFFAOYSA-N 2 1 264.398 2.213 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415088649 529766692 /nfs/dbraw/zinc/76/66/92/529766692.db2.gz WMXUWFQTJSUROU-CHWSQXEVSA-N 2 1 278.444 2.165 20 0 CEADMP COCC[C@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000128221688 365780413 /nfs/dbraw/zinc/78/04/13/365780413.db2.gz WZBZKHXAROKMAO-AWEZNQCLSA-N 2 1 277.412 2.373 20 0 CEADMP C[NH+](C[C@H]1CCOC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336725157 365786643 /nfs/dbraw/zinc/78/66/43/365786643.db2.gz XXHRWKGALIXPEN-ZWKOTPCHSA-N 2 1 288.435 2.477 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCOC2)C[C@@H]1C ZINC000336724360 365787575 /nfs/dbraw/zinc/78/75/75/365787575.db2.gz ZXHOXAMIEAGIOC-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)C1CCCCC1 ZINC000063582520 343679281 /nfs/dbraw/zinc/67/92/81/343679281.db2.gz KUYUJEQWSCEXTI-UHFFFAOYSA-N 2 1 283.460 2.050 20 0 CEADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000063582520 343679284 /nfs/dbraw/zinc/67/92/84/343679284.db2.gz KUYUJEQWSCEXTI-UHFFFAOYSA-N 2 1 283.460 2.050 20 0 CEADMP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000063582520 343679287 /nfs/dbraw/zinc/67/92/87/343679287.db2.gz KUYUJEQWSCEXTI-UHFFFAOYSA-N 2 1 283.460 2.050 20 0 CEADMP CN(C)c1ncc(C[N@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000355051445 529807730 /nfs/dbraw/zinc/80/77/30/529807730.db2.gz HUBYNIJSROIKMM-UHFFFAOYSA-N 2 1 294.468 2.269 20 0 CEADMP C[C@@H]1C[C@@H](NCCC[NH+]2CCC(C)CC2)C[N@H+]1C1CC1 ZINC000128593665 365797279 /nfs/dbraw/zinc/79/72/79/365797279.db2.gz MDGOXKQJPFCDFA-HZPDHXFCSA-N 2 1 279.472 2.323 20 0 CEADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000622651360 349872686 /nfs/dbraw/zinc/87/26/86/349872686.db2.gz CIAVVNXHZFPOPL-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000622651360 349872687 /nfs/dbraw/zinc/87/26/87/349872687.db2.gz CIAVVNXHZFPOPL-HZPDHXFCSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC(CNc2cc[nH+]c(N(C)C)n2)CC1 ZINC000077214466 343910935 /nfs/dbraw/zinc/91/09/35/343910935.db2.gz URWBDIASYOEMNI-UHFFFAOYSA-N 2 1 277.416 2.077 20 0 CEADMP COCCNc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000127091661 187281189 /nfs/dbraw/zinc/28/11/89/187281189.db2.gz CBRMTSWGYCKIOD-YOEHRIQHSA-N 2 1 291.439 2.175 20 0 CEADMP C[N@@H+](C[C@H](O)CC1CCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000354858252 529959438 /nfs/dbraw/zinc/95/94/38/529959438.db2.gz SKFREKWDFBKHPJ-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+](C[C@H](O)CC1CCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000354858252 529959439 /nfs/dbraw/zinc/95/94/39/529959439.db2.gz SKFREKWDFBKHPJ-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+](C[C@H](O)CC1CCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000354858252 529959440 /nfs/dbraw/zinc/95/94/40/529959440.db2.gz SKFREKWDFBKHPJ-HZPDHXFCSA-N 2 1 268.445 2.201 20 0 CEADMP Oc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000120968184 344300764 /nfs/dbraw/zinc/30/07/64/344300764.db2.gz ILAXFHUBBNHARF-UHFFFAOYSA-N 2 1 260.381 2.356 20 0 CEADMP CC[C@@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000152886451 344428122 /nfs/dbraw/zinc/42/81/22/344428122.db2.gz VDINCFCDHUMPSM-GDBMZVCRSA-N 2 1 295.471 2.227 20 0 CEADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC000192442231 344517362 /nfs/dbraw/zinc/51/73/62/344517362.db2.gz DXYFGLMEKJQPME-GOEBONIOSA-N 2 1 288.435 2.484 20 0 CEADMP [NH3+][C@@H]1CCC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000227471632 344553363 /nfs/dbraw/zinc/55/33/63/344553363.db2.gz UMPALOWVUFQVDU-QLFBSQMISA-N 2 1 277.412 2.276 20 0 CEADMP CCNC(=[NH2+])NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000052040978 362462219 /nfs/dbraw/zinc/46/22/19/362462219.db2.gz YAPKIOJUWWGEGQ-CQSZACIVSA-N 2 1 262.401 2.203 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(=O)NC ZINC000449774391 282362283 /nfs/dbraw/zinc/36/22/83/282362283.db2.gz LQYBGUIYMKIURM-BPUTZDHNSA-N 2 1 295.471 2.144 20 0 CEADMP CCc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC000379905915 344821687 /nfs/dbraw/zinc/82/16/87/344821687.db2.gz KCYAIJJFZKSQRG-SMDDNHRTSA-N 2 1 250.411 2.494 20 0 CEADMP CCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC000379905915 344821689 /nfs/dbraw/zinc/82/16/89/344821689.db2.gz KCYAIJJFZKSQRG-SMDDNHRTSA-N 2 1 250.411 2.494 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOCC(C)C ZINC000336784687 365802509 /nfs/dbraw/zinc/80/25/09/365802509.db2.gz VESFSPMVEHPSHW-UHFFFAOYSA-N 2 1 253.390 2.186 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOCC(C)C ZINC000336784687 365802513 /nfs/dbraw/zinc/80/25/13/365802513.db2.gz VESFSPMVEHPSHW-UHFFFAOYSA-N 2 1 253.390 2.186 20 0 CEADMP CCCN(Cc1ccccc1)C[C@H](O)C[N@@H+](C)CC ZINC000383863550 344828084 /nfs/dbraw/zinc/82/80/84/344828084.db2.gz YJCGMGRZKACDAG-MRXNPFEDSA-N 2 1 264.413 2.211 20 0 CEADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550681396 539416242 /nfs/dbraw/zinc/41/62/42/539416242.db2.gz ZARUBWCWTXVABP-ZACQAIPSSA-N 2 1 276.424 2.428 20 0 CEADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550681396 539416245 /nfs/dbraw/zinc/41/62/45/539416245.db2.gz ZARUBWCWTXVABP-ZACQAIPSSA-N 2 1 276.424 2.428 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000589134234 345067147 /nfs/dbraw/zinc/06/71/47/345067147.db2.gz QGFTXRJMAIRQHE-OAHLLOKOSA-N 2 1 299.378 2.080 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CC(=O)OC(C)C)C(C)C ZINC000594042869 345572142 /nfs/dbraw/zinc/57/21/42/345572142.db2.gz HTMILYBRMADROO-AWEZNQCLSA-N 2 1 281.400 2.147 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000623085841 349933900 /nfs/dbraw/zinc/93/39/00/349933900.db2.gz IMKZESXXEDKDFS-UHFFFAOYSA-N 2 1 295.289 2.074 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000594870329 345692673 /nfs/dbraw/zinc/69/26/73/345692673.db2.gz XRKBZLKAWLJDMT-MRXNPFEDSA-N 2 1 297.487 2.347 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000594956752 345715748 /nfs/dbraw/zinc/71/57/48/345715748.db2.gz MLUUAPPDWNTQGF-CAOSSQGBSA-N 2 1 296.455 2.142 20 0 CEADMP CCSC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000594986845 345722013 /nfs/dbraw/zinc/72/20/13/345722013.db2.gz LJRIGQQIWPYPFX-CHWSQXEVSA-N 2 1 254.443 2.489 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)CC1 ZINC000595062697 345737170 /nfs/dbraw/zinc/73/71/70/345737170.db2.gz OGBNHGNJYOHIGX-CLCXKQKWSA-N 2 1 286.485 2.139 20 0 CEADMP CCOC(=O)CCCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901442 345909954 /nfs/dbraw/zinc/90/99/54/345909954.db2.gz WGFZFZPYRWGVPU-INIZCTEOSA-N 2 1 296.455 2.431 20 0 CEADMP CO[C@](C)(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000336787880 365807410 /nfs/dbraw/zinc/80/74/10/365807410.db2.gz GDCMMANPCDRIIH-CTHBEMJXSA-N 2 1 254.418 2.120 20 0 CEADMP CCSCC[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000597255289 346163066 /nfs/dbraw/zinc/16/30/66/346163066.db2.gz HBXJZKKPFNWBHA-CQSZACIVSA-N 2 1 256.459 2.451 20 0 CEADMP COC[C@@]1(C)CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000295127487 199359421 /nfs/dbraw/zinc/35/94/21/199359421.db2.gz OAUSSRQTQSPDHD-HNNXBMFYSA-N 2 1 259.353 2.193 20 0 CEADMP Cc1cccc(N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)c1C ZINC000062911044 362733087 /nfs/dbraw/zinc/73/30/87/362733087.db2.gz NVUGAJCRVFIUTA-SFHVURJKSA-N 2 1 287.451 2.425 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000599312269 346496462 /nfs/dbraw/zinc/49/64/62/346496462.db2.gz FPGDSTGFGRTVMZ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000599312269 346496465 /nfs/dbraw/zinc/49/64/65/346496465.db2.gz FPGDSTGFGRTVMZ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000599312269 346496468 /nfs/dbraw/zinc/49/64/68/346496468.db2.gz FPGDSTGFGRTVMZ-HOTGVXAUSA-N 2 1 295.471 2.242 20 0 CEADMP COC(=O)C1C[C@H](C)[NH+](CC[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000599694504 346570574 /nfs/dbraw/zinc/57/05/74/346570574.db2.gz IDIODIQUKKQZQE-KCQAQPDRSA-N 2 1 282.428 2.133 20 0 CEADMP COC(=O)CCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000600708593 346675236 /nfs/dbraw/zinc/67/52/36/346675236.db2.gz DLBIPTXCTXRRHB-HUUCEWRRSA-N 2 1 282.428 2.041 20 0 CEADMP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000129193809 365834939 /nfs/dbraw/zinc/83/49/39/365834939.db2.gz VSLILPFETIDYAO-SJORKVTESA-N 2 1 288.435 2.400 20 0 CEADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C[C@@H]1C ZINC000600679315 346672413 /nfs/dbraw/zinc/67/24/13/346672413.db2.gz HUBZNFMCCBNJRV-BTFPBAQTSA-N 2 1 282.428 2.084 20 0 CEADMP COC(=O)C1CCC([NH2+]CCC[N@@H+](C)C(C)C)CC1 ZINC000336807807 365843679 /nfs/dbraw/zinc/84/36/79/365843679.db2.gz ADLYVEDZHHRMLG-UHFFFAOYSA-N 2 1 270.417 2.038 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2nc(C)no2)C[C@H]1C ZINC000336822956 365875433 /nfs/dbraw/zinc/87/54/33/365875433.db2.gz NNQOWCAAQQGEBI-TZMCWYRMSA-N 2 1 280.416 2.115 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2nc(C)no2)C[C@H]1C ZINC000336822956 365875439 /nfs/dbraw/zinc/87/54/39/365875439.db2.gz NNQOWCAAQQGEBI-TZMCWYRMSA-N 2 1 280.416 2.115 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2nc(C)no2)C[C@H]1C ZINC000336822956 365875444 /nfs/dbraw/zinc/87/54/44/365875444.db2.gz NNQOWCAAQQGEBI-TZMCWYRMSA-N 2 1 280.416 2.115 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@H]2CCSC2)C1 ZINC000377836066 290180568 /nfs/dbraw/zinc/18/05/68/290180568.db2.gz YPEMGJSYVYBWCD-BFHYXJOUSA-N 2 1 254.443 2.156 20 0 CEADMP CC[NH2+]CC1CC[NH+](Cc2nc(CC(C)C)no2)CC1 ZINC000130003364 365916774 /nfs/dbraw/zinc/91/67/74/365916774.db2.gz PZTLUYFJOAASKD-UHFFFAOYSA-N 2 1 280.416 2.090 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000334195486 539587617 /nfs/dbraw/zinc/58/76/17/539587617.db2.gz JPHOEAUVVNCFJG-KRWDZBQOSA-N 2 1 287.407 2.221 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000334195486 539587619 /nfs/dbraw/zinc/58/76/19/539587619.db2.gz JPHOEAUVVNCFJG-KRWDZBQOSA-N 2 1 287.407 2.221 20 0 CEADMP COC(=O)C(C)(C)CC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000339407397 215153608 /nfs/dbraw/zinc/15/36/08/215153608.db2.gz KOFQRULADWTBSV-UHFFFAOYSA-N 2 1 292.423 2.427 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339408198 215153644 /nfs/dbraw/zinc/15/36/44/215153644.db2.gz VLERRVLGKAWYSQ-OAHLLOKOSA-N 2 1 274.408 2.095 20 0 CEADMP Cc1ccc([C@@H]2CCC[N@H+]2CCOCC[NH3+])cc1C ZINC000357105978 233007024 /nfs/dbraw/zinc/00/70/24/233007024.db2.gz POPNUDVLXBLQMA-INIZCTEOSA-N 2 1 262.397 2.416 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)[C@@H]1CCCO1 ZINC000087266372 539632000 /nfs/dbraw/zinc/63/20/00/539632000.db2.gz LQONZFGCNBFGEK-KKUMJFAQSA-N 2 1 252.402 2.020 20 0 CEADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)C3([NH+](C)C)CC3)ccc21 ZINC000615870027 348404072 /nfs/dbraw/zinc/40/40/72/348404072.db2.gz CKJTYMKEXKPYHB-HNNXBMFYSA-N 2 1 287.407 2.268 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2COc3ccccc3O2)CC1(C)C ZINC000623337600 349991876 /nfs/dbraw/zinc/99/18/76/349991876.db2.gz QCFDYSWDYAGZQZ-KBPBESRZSA-N 2 1 290.407 2.289 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2COc3ccccc3O2)CC1(C)C ZINC000623337600 349991881 /nfs/dbraw/zinc/99/18/81/349991881.db2.gz QCFDYSWDYAGZQZ-KBPBESRZSA-N 2 1 290.407 2.289 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCO3)CC1(C)C ZINC000623342071 349992375 /nfs/dbraw/zinc/99/23/75/349992375.db2.gz FENUPGIJRFMORQ-AWEZNQCLSA-N 2 1 290.407 2.420 20 0 CEADMP c1[nH]nc2cccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c12 ZINC000623356247 349997879 /nfs/dbraw/zinc/99/78/79/349997879.db2.gz FUECSUXWYWNMGT-GFCCVEGCSA-N 2 1 270.380 2.137 20 0 CEADMP Cc1cnc(C[NH+]2CCC(C[NH+](C)C)CC2)s1 ZINC000357308265 233041635 /nfs/dbraw/zinc/04/16/35/233041635.db2.gz OAYVBQQMROKNTN-UHFFFAOYSA-N 2 1 253.415 2.225 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000617505475 348718411 /nfs/dbraw/zinc/71/84/11/348718411.db2.gz DNVOICBDBRLYSA-PMPSAXMXSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000617505475 348718414 /nfs/dbraw/zinc/71/84/14/348718414.db2.gz DNVOICBDBRLYSA-PMPSAXMXSA-N 2 1 297.487 2.201 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339066136 539659729 /nfs/dbraw/zinc/65/97/29/539659729.db2.gz CHXYCYXKGJPAED-SJORKVTESA-N 3 1 279.472 2.325 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000339067094 539659778 /nfs/dbraw/zinc/65/97/78/539659778.db2.gz FPOTWJZJVYVDBP-HZSPNIEDSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339071099 539659829 /nfs/dbraw/zinc/65/98/29/539659829.db2.gz QBERZMMHLSKEAL-OWCLPIDISA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339071099 539659832 /nfs/dbraw/zinc/65/98/32/539659832.db2.gz QBERZMMHLSKEAL-OWCLPIDISA-N 2 1 265.445 2.077 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339071099 539659837 /nfs/dbraw/zinc/65/98/37/539659837.db2.gz QBERZMMHLSKEAL-OWCLPIDISA-N 2 1 265.445 2.077 20 0 CEADMP CCc1cc(NCCC[NH2+]Cc2cccnc2)nc(C)[nH+]1 ZINC000088760616 539684034 /nfs/dbraw/zinc/68/40/34/539684034.db2.gz QWELPHJHISUQEZ-UHFFFAOYSA-N 2 1 285.395 2.334 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000459364595 539689123 /nfs/dbraw/zinc/68/91/23/539689123.db2.gz JBRBIMONEOQVDW-UHFFFAOYSA-N 2 1 259.328 2.381 20 0 CEADMP CCn1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C(C)C)cn1 ZINC000234204917 539693594 /nfs/dbraw/zinc/69/35/94/539693594.db2.gz ASTZJHUSCXRBJB-CQSZACIVSA-N 2 1 264.417 2.113 20 0 CEADMP CCn1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C(C)C)cn1 ZINC000234204917 539693599 /nfs/dbraw/zinc/69/35/99/539693599.db2.gz ASTZJHUSCXRBJB-CQSZACIVSA-N 2 1 264.417 2.113 20 0 CEADMP CC[NH+](CC)C[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000249927063 539709997 /nfs/dbraw/zinc/70/99/97/539709997.db2.gz CIDHYRBOTYHGQD-CBBWQLFWSA-N 2 1 255.450 2.035 20 0 CEADMP C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400587056 233179556 /nfs/dbraw/zinc/17/95/56/233179556.db2.gz SIUMGSNQRKXJME-SZMVWBNQSA-N 2 1 287.451 2.239 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CC[C@H]1CCOC1 ZINC000400590270 233180014 /nfs/dbraw/zinc/18/00/14/233180014.db2.gz CXMDJVKHWSNBQK-CABCVRRESA-N 2 1 254.418 2.267 20 0 CEADMP C[C@H](CO)[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411403849 233244442 /nfs/dbraw/zinc/24/44/42/233244442.db2.gz VMYKXDYRSGXUDR-OAHLLOKOSA-N 2 1 276.424 2.485 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2CO)CC1(C)C ZINC000623374053 350003590 /nfs/dbraw/zinc/00/35/90/350003590.db2.gz UWXLENUBBWSBIQ-HNNXBMFYSA-N 2 1 262.397 2.141 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CO)CC1(C)C ZINC000623374053 350003594 /nfs/dbraw/zinc/00/35/94/350003594.db2.gz UWXLENUBBWSBIQ-HNNXBMFYSA-N 2 1 262.397 2.141 20 0 CEADMP Clc1cnccc1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000623388234 350007013 /nfs/dbraw/zinc/00/70/13/350007013.db2.gz BAVQHBJBCSOKKE-NSHDSACASA-N 2 1 262.744 2.036 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2)CC1(C)C ZINC000623420748 350015755 /nfs/dbraw/zinc/01/57/55/350015755.db2.gz NRIYBLLZGBGBJN-HUUCEWRRSA-N 2 1 262.397 2.182 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2)CC1(C)C ZINC000623420748 350015758 /nfs/dbraw/zinc/01/57/58/350015758.db2.gz NRIYBLLZGBGBJN-HUUCEWRRSA-N 2 1 262.397 2.182 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)CC1(C)C ZINC000623423630 350016495 /nfs/dbraw/zinc/01/64/95/350016495.db2.gz MACNYOODHGHUBX-CHWSQXEVSA-N 2 1 256.434 2.246 20 0 CEADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCCO1 ZINC000623473636 350029188 /nfs/dbraw/zinc/02/91/88/350029188.db2.gz CBXZSOGWKSZYRP-IHRRRGAJSA-N 2 1 254.418 2.406 20 0 CEADMP CCCn1cc(CNC[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623655684 350075268 /nfs/dbraw/zinc/07/52/68/350075268.db2.gz BVPAWHPPBBHXLX-CQSZACIVSA-N 2 1 264.417 2.115 20 0 CEADMP CCCn1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000623655684 350075271 /nfs/dbraw/zinc/07/52/71/350075271.db2.gz BVPAWHPPBBHXLX-CQSZACIVSA-N 2 1 264.417 2.115 20 0 CEADMP CCCn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623655684 350075275 /nfs/dbraw/zinc/07/52/75/350075275.db2.gz BVPAWHPPBBHXLX-CQSZACIVSA-N 2 1 264.417 2.115 20 0 CEADMP CCn1nc(C)c(CNC[C@@H]2CCCC[N@@H+](C)C2)c1C ZINC000623656350 350075832 /nfs/dbraw/zinc/07/58/32/350075832.db2.gz SHMIUZKHNPTLDF-HNNXBMFYSA-N 2 1 278.444 2.341 20 0 CEADMP CCn1nc(C)c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1C ZINC000623656350 350075833 /nfs/dbraw/zinc/07/58/33/350075833.db2.gz SHMIUZKHNPTLDF-HNNXBMFYSA-N 2 1 278.444 2.341 20 0 CEADMP CCn1nc(C)c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1C ZINC000623656350 350075835 /nfs/dbraw/zinc/07/58/35/350075835.db2.gz SHMIUZKHNPTLDF-HNNXBMFYSA-N 2 1 278.444 2.341 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000623655882 350076343 /nfs/dbraw/zinc/07/63/43/350076343.db2.gz HXMIXBLKGDJOMA-CQSZACIVSA-N 2 1 272.396 2.384 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000623655882 350076346 /nfs/dbraw/zinc/07/63/46/350076346.db2.gz HXMIXBLKGDJOMA-CQSZACIVSA-N 2 1 272.396 2.384 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000623655882 350076348 /nfs/dbraw/zinc/07/63/48/350076348.db2.gz HXMIXBLKGDJOMA-CQSZACIVSA-N 2 1 272.396 2.384 20 0 CEADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623539549 350044818 /nfs/dbraw/zinc/04/48/18/350044818.db2.gz UAKHWRLCIPBTCP-CQSZACIVSA-N 2 1 261.413 2.395 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000623871963 350131471 /nfs/dbraw/zinc/13/14/71/350131471.db2.gz QJFNUQITXPUQPX-ZNMIVQPWSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CCCCO1 ZINC000623971286 350158480 /nfs/dbraw/zinc/15/84/80/350158480.db2.gz PVSNNYURXZJGQM-BZUAXINKSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CCCCO1 ZINC000623971286 350158483 /nfs/dbraw/zinc/15/84/83/350158483.db2.gz PVSNNYURXZJGQM-BZUAXINKSA-N 2 1 284.444 2.035 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@H]1CCCCO1 ZINC000623998612 350165260 /nfs/dbraw/zinc/16/52/60/350165260.db2.gz XQCVUALPRQOMMU-DZGCQCFKSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000624123700 350200738 /nfs/dbraw/zinc/20/07/38/350200738.db2.gz RCPKOBHAPJYWJF-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000624123308 350201049 /nfs/dbraw/zinc/20/10/49/350201049.db2.gz JKUSYNOYWZKOOV-LBPRGKRZSA-N 2 1 260.372 2.396 20 0 CEADMP C([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000091662215 180219892 /nfs/dbraw/zinc/21/98/92/180219892.db2.gz KMNGTBAPLIGJDM-CABCVRRESA-N 2 1 252.402 2.020 20 0 CEADMP C([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000091662215 180219894 /nfs/dbraw/zinc/21/98/94/180219894.db2.gz KMNGTBAPLIGJDM-CABCVRRESA-N 2 1 252.402 2.020 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000105480533 186058564 /nfs/dbraw/zinc/05/85/64/186058564.db2.gz CUZOXBUMVZKHAU-QAPCUYQASA-N 2 1 298.434 2.361 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000105480533 186058565 /nfs/dbraw/zinc/05/85/65/186058565.db2.gz CUZOXBUMVZKHAU-QAPCUYQASA-N 2 1 298.434 2.361 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCOc3ccccc3C2)CC[NH2+]1 ZINC000235743634 539790284 /nfs/dbraw/zinc/79/02/84/539790284.db2.gz WGASANSUOXVPJN-KBPBESRZSA-N 2 1 260.381 2.269 20 0 CEADMP CCc1[nH+]c2ccccc2c(NCC[N@H+]2CC[C@@H](O)C2)c1C ZINC000624680779 350338823 /nfs/dbraw/zinc/33/88/23/350338823.db2.gz MIXUAZVNYXLLEG-CQSZACIVSA-N 2 1 299.418 2.006 20 0 CEADMP Cc1ccncc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000271358832 191096113 /nfs/dbraw/zinc/09/61/13/191096113.db2.gz FDWADISYOBCWCV-HOTGVXAUSA-N 2 1 291.439 2.278 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000352167398 219342742 /nfs/dbraw/zinc/34/27/42/219342742.db2.gz AUAQYDLSYPXQEA-GJZGRUSLSA-N 2 1 283.460 2.144 20 0 CEADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000105875615 186082091 /nfs/dbraw/zinc/08/20/91/186082091.db2.gz NLKJFUWQGDTGAX-OAHLLOKOSA-N 2 1 277.412 2.244 20 0 CEADMP CCO[C@@H](C[N@H+](C)CCCn1cc[nH+]c1C)C1CC1 ZINC000625266088 350447053 /nfs/dbraw/zinc/44/70/53/350447053.db2.gz PFHNXBMPEJWBJW-HNNXBMFYSA-N 2 1 265.401 2.329 20 0 CEADMP CCO[C@@H](C[N@@H+](C)CCCn1cc[nH+]c1C)C1CC1 ZINC000625266088 350447056 /nfs/dbraw/zinc/44/70/56/350447056.db2.gz PFHNXBMPEJWBJW-HNNXBMFYSA-N 2 1 265.401 2.329 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000106868716 186144943 /nfs/dbraw/zinc/14/49/43/186144943.db2.gz ZOIHQQUIIAAJNV-HUUCEWRRSA-N 2 1 290.407 2.420 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000106868716 186144945 /nfs/dbraw/zinc/14/49/45/186144945.db2.gz ZOIHQQUIIAAJNV-HUUCEWRRSA-N 2 1 290.407 2.420 20 0 CEADMP CCO[C@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)C1CC1 ZINC000625463090 350506757 /nfs/dbraw/zinc/50/67/57/350506757.db2.gz HIAMYDZSIHJDBE-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](CC1CC(C)(C)C1)CCO2 ZINC000625510101 350517510 /nfs/dbraw/zinc/51/75/10/350517510.db2.gz XEOSFXBYJUMECM-UHFFFAOYSA-N 2 1 266.429 2.219 20 0 CEADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(OC)c1 ZINC000130548525 365966428 /nfs/dbraw/zinc/96/64/28/365966428.db2.gz JNLHHPPMYBOMMF-MAZHCROVSA-N 2 1 290.407 2.263 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cnccc1C ZINC000271401504 191116336 /nfs/dbraw/zinc/11/63/36/191116336.db2.gz LOWSXPIJESBARS-CQSZACIVSA-N 2 1 265.401 2.009 20 0 CEADMP CC(C)O[C@H]1C[C@H]([NH2+]CCc2c[nH+]cn2C)C1(C)C ZINC000471769840 290282340 /nfs/dbraw/zinc/28/23/40/290282340.db2.gz NFGCUJMOTZMGCW-KBPBESRZSA-N 2 1 265.401 2.144 20 0 CEADMP Cc1ccc2ncc(C[NH+]3CCC([NH3+])CC3)cc2c1 ZINC000629508906 351381127 /nfs/dbraw/zinc/38/11/27/351381127.db2.gz GERXEAQBOZCSCM-UHFFFAOYSA-N 2 1 255.365 2.466 20 0 CEADMP CCC[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)OCC ZINC000629514999 351384198 /nfs/dbraw/zinc/38/41/98/351384198.db2.gz OMRANKWLWBXMFH-NWDGAFQWSA-N 2 1 251.374 2.350 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CCOCC1)CCCO2 ZINC000629522187 351389032 /nfs/dbraw/zinc/38/90/32/351389032.db2.gz WZGWBVXMNYWQIZ-OAHLLOKOSA-N 2 1 290.407 2.306 20 0 CEADMP CCC(F)(F)C(C)(C)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000629531737 351396024 /nfs/dbraw/zinc/39/60/24/351396024.db2.gz WHSWQEVTMACSRR-NEPJUHHUSA-N 2 1 278.387 2.415 20 0 CEADMP [NH3+]C1(C[NH2+]C/C=C/c2ccc(F)cc2F)CCOCC1 ZINC000629386911 351345328 /nfs/dbraw/zinc/34/53/28/351345328.db2.gz ABLBEUBKWYIOBY-OWOJBTEDSA-N 2 1 282.334 2.076 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC000629397031 351350933 /nfs/dbraw/zinc/35/09/33/351350933.db2.gz WTIMMEBREFOACH-WQVCFCJDSA-N 2 1 274.408 2.283 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C12CCCC2 ZINC000629542558 351403619 /nfs/dbraw/zinc/40/36/19/351403619.db2.gz FVQUQSUKIMWVEW-LJISPDSOSA-N 2 1 266.429 2.454 20 0 CEADMP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629408563 351354883 /nfs/dbraw/zinc/35/48/83/351354883.db2.gz WTPSHHVHJSKMBY-TYNCELHUSA-N 2 1 250.361 2.487 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)C[NH2+]1 ZINC000629414393 351355718 /nfs/dbraw/zinc/35/57/18/351355718.db2.gz OIGCQSRFDFQOEF-UKRRQHHQSA-N 2 1 266.429 2.456 20 0 CEADMP COCc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000629649133 351447533 /nfs/dbraw/zinc/44/75/33/351447533.db2.gz INTFWPPHCRABRI-CZUORRHYSA-N 2 1 278.396 2.390 20 0 CEADMP COCc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000629649133 351447538 /nfs/dbraw/zinc/44/75/38/351447538.db2.gz INTFWPPHCRABRI-CZUORRHYSA-N 2 1 278.396 2.390 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Cl)c(C)c1 ZINC000629655534 351451977 /nfs/dbraw/zinc/45/19/77/351451977.db2.gz YUYZSAGFAKYTRS-UHFFFAOYSA-N 2 1 270.804 2.316 20 0 CEADMP CCCc1cccc(C[N@@H+](C)CCOCC[NH2+]C)c1 ZINC000629655013 351452163 /nfs/dbraw/zinc/45/21/63/351452163.db2.gz VQFUYWVOERBVDC-UHFFFAOYSA-N 2 1 264.413 2.307 20 0 CEADMP Cn1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000629655928 351452648 /nfs/dbraw/zinc/45/26/48/351452648.db2.gz YICYVNZKZOCHIC-CVEARBPZSA-N 2 1 261.413 2.237 20 0 CEADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1O ZINC000629660798 351455357 /nfs/dbraw/zinc/45/53/57/351455357.db2.gz ZNKDVRFZBQMNAD-YDHLFZDLSA-N 2 1 292.423 2.452 20 0 CEADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000629549516 351408094 /nfs/dbraw/zinc/40/80/94/351408094.db2.gz XYLSODPHBYFOBA-CWLKWCNXSA-N 2 1 287.451 2.237 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000629567423 351417252 /nfs/dbraw/zinc/41/72/52/351417252.db2.gz OBJQDCWVSZGRHK-GFCCVEGCSA-N 2 1 254.349 2.055 20 0 CEADMP [NH3+]CCC[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000629580766 351421906 /nfs/dbraw/zinc/42/19/06/351421906.db2.gz GVGICVGPPBNEAD-UHFFFAOYSA-N 2 1 258.287 2.412 20 0 CEADMP [NH3+]CCC[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000629580766 351421911 /nfs/dbraw/zinc/42/19/11/351421911.db2.gz GVGICVGPPBNEAD-UHFFFAOYSA-N 2 1 258.287 2.412 20 0 CEADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000629589834 351425026 /nfs/dbraw/zinc/42/50/26/351425026.db2.gz ARMAXYKBBSTICL-WMZOPIPTSA-N 2 1 290.451 2.443 20 0 CEADMP CC[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000629589834 351425029 /nfs/dbraw/zinc/42/50/29/351425029.db2.gz ARMAXYKBBSTICL-WMZOPIPTSA-N 2 1 290.451 2.443 20 0 CEADMP COc1ccc([C@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1F ZINC000629588867 351425173 /nfs/dbraw/zinc/42/51/73/351425173.db2.gz MQUNDWGATIFIKQ-OCCSQVGLSA-N 2 1 278.371 2.233 20 0 CEADMP C[C@@H]1CCC[C@@](CNC(=O)C[N@@H+](C)C2CCC2)([NH+](C)C)C1 ZINC000629951675 351550379 /nfs/dbraw/zinc/55/03/79/351550379.db2.gz YLEMPZPZYPWEQH-RHSMWYFYSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(C[NH+](C)C)cc(NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC000629978858 351566770 /nfs/dbraw/zinc/56/67/70/351566770.db2.gz YGSYLEBBOMPOHG-UHFFFAOYSA-N 2 1 289.423 2.479 20 0 CEADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccns2)C1 ZINC000630075840 351605218 /nfs/dbraw/zinc/60/52/18/351605218.db2.gz HDDVTVAZIQMINR-KWCYVHTRSA-N 2 1 281.425 2.004 20 0 CEADMP CO[C@H]1CN(c2cc[nH+]c3ccsc32)[C@@](C)(C[NH3+])C1 ZINC000630375234 351715435 /nfs/dbraw/zinc/71/54/35/351715435.db2.gz OUWLPBOOWXUVFY-QMTHXVAHSA-N 2 1 277.393 2.239 20 0 CEADMP C[C@H](CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+](C)C ZINC000291704847 198064348 /nfs/dbraw/zinc/06/43/48/198064348.db2.gz KPOCUNWUQOWAGU-SOLBZPMBSA-N 2 1 289.467 2.294 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C[NH+](C)C ZINC000291704847 198064349 /nfs/dbraw/zinc/06/43/49/198064349.db2.gz KPOCUNWUQOWAGU-SOLBZPMBSA-N 2 1 289.467 2.294 20 0 CEADMP C[C@H](C[NH2+]Cc1ccnn1-c1ccccc1)C[NH+](C)C ZINC000291748427 198079213 /nfs/dbraw/zinc/07/92/13/198079213.db2.gz PVHROFQCMQMRED-CQSZACIVSA-N 2 1 272.396 2.160 20 0 CEADMP C[N@@H+](Cc1cn(CC[NH+]2CCCC2)nn1)C1CCCCC1 ZINC000630618996 351811652 /nfs/dbraw/zinc/81/16/52/351811652.db2.gz IQQUOWYYOXFQPQ-UHFFFAOYSA-N 2 1 291.443 2.138 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1cccc(NC(C)=O)c1 ZINC000631030509 351928607 /nfs/dbraw/zinc/92/86/07/351928607.db2.gz SWALXEGDKLDSSG-UHFFFAOYSA-N 2 1 277.412 2.467 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(F)F)nc2)C1 ZINC000631044798 351935494 /nfs/dbraw/zinc/93/54/94/351935494.db2.gz NLMLLJPACTUIJM-LBPRGKRZSA-N 2 1 269.339 2.451 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(F)F)nc2)C1 ZINC000631044798 351935496 /nfs/dbraw/zinc/93/54/96/351935496.db2.gz NLMLLJPACTUIJM-LBPRGKRZSA-N 2 1 269.339 2.451 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(C(F)F)nc2)CC1 ZINC000631107843 351966388 /nfs/dbraw/zinc/96/63/88/351966388.db2.gz HUNJFULBVAOYIP-UHFFFAOYSA-N 2 1 267.323 2.371 20 0 CEADMP COc1ccc(OCC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292249535 198217997 /nfs/dbraw/zinc/21/79/97/198217997.db2.gz XNBQCXGHODKZHR-QGZVFWFLSA-N 2 1 290.407 2.102 20 0 CEADMP COc1ccc(OCC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292249535 198217998 /nfs/dbraw/zinc/21/79/98/198217998.db2.gz XNBQCXGHODKZHR-QGZVFWFLSA-N 2 1 290.407 2.102 20 0 CEADMP COc1ccc(OCC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292249535 198217999 /nfs/dbraw/zinc/21/79/99/198217999.db2.gz XNBQCXGHODKZHR-QGZVFWFLSA-N 2 1 290.407 2.102 20 0 CEADMP COc1ccc(OCC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292249535 198218000 /nfs/dbraw/zinc/21/80/00/198218000.db2.gz XNBQCXGHODKZHR-QGZVFWFLSA-N 2 1 290.407 2.102 20 0 CEADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000156594790 539966433 /nfs/dbraw/zinc/96/64/33/539966433.db2.gz BHWISCSMKRJHDC-ZBFHGGJFSA-N 2 1 259.397 2.354 20 0 CEADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000156594790 539966439 /nfs/dbraw/zinc/96/64/39/539966439.db2.gz BHWISCSMKRJHDC-ZBFHGGJFSA-N 2 1 259.397 2.354 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000153751411 188101788 /nfs/dbraw/zinc/10/17/88/188101788.db2.gz OMRKLBPYNSRTLH-PBHICJAKSA-N 2 1 276.424 2.478 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)CC[C@@H]1CCCCO1 ZINC000337221525 366086276 /nfs/dbraw/zinc/08/62/76/366086276.db2.gz FCGGXSHYOBIDJP-HNNXBMFYSA-N 2 1 254.418 2.363 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000157637143 188329451 /nfs/dbraw/zinc/32/94/51/188329451.db2.gz HROKBBDNRIINIG-KNPMLCFXSA-N 2 1 280.387 2.177 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(Cc3ccnn3-c3ccccc3)C2)C1 ZINC000292728433 198390662 /nfs/dbraw/zinc/39/06/62/198390662.db2.gz GBPXLWXVOWMVAW-SFHVURJKSA-N 2 1 296.418 2.400 20 0 CEADMP CC[N@H+](C)CCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000158775730 188394076 /nfs/dbraw/zinc/39/40/76/188394076.db2.gz CMGSJPIELBMHSC-OAHLLOKOSA-N 2 1 293.455 2.229 20 0 CEADMP CC[N@@H+](C)CCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000158775730 188394077 /nfs/dbraw/zinc/39/40/77/188394077.db2.gz CMGSJPIELBMHSC-OAHLLOKOSA-N 2 1 293.455 2.229 20 0 CEADMP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CCCCC1 ZINC000132232609 366127965 /nfs/dbraw/zinc/12/79/65/366127965.db2.gz LYPSRNWHSJPEDD-UHFFFAOYSA-N 2 1 279.472 2.280 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000488408920 290395484 /nfs/dbraw/zinc/39/54/84/290395484.db2.gz GCKYALWVKLUEBB-UONOGXRCSA-N 2 1 274.474 2.074 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000337378184 366145514 /nfs/dbraw/zinc/14/55/14/366145514.db2.gz BXWIDFLHCHFANQ-QPSCCSFWSA-N 2 1 254.418 2.264 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000337378184 366145516 /nfs/dbraw/zinc/14/55/16/366145516.db2.gz BXWIDFLHCHFANQ-QPSCCSFWSA-N 2 1 254.418 2.264 20 0 CEADMP FC(F)O[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337563375 366164071 /nfs/dbraw/zinc/16/40/71/366164071.db2.gz WTWWIOPTKREZJF-FVCCEPFGSA-N 2 1 274.355 2.363 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC[N@@H+]1C ZINC000133010184 366187309 /nfs/dbraw/zinc/18/73/09/366187309.db2.gz UEGUGSUHDUWTSK-HOCLYGCPSA-N 2 1 288.439 2.254 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC[N@H+]1C ZINC000133010184 366187313 /nfs/dbraw/zinc/18/73/13/366187313.db2.gz UEGUGSUHDUWTSK-HOCLYGCPSA-N 2 1 288.439 2.254 20 0 CEADMP Fc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335562825 283024582 /nfs/dbraw/zinc/02/45/82/283024582.db2.gz XDAGLCNQRGOSEW-SMDDNHRTSA-N 2 1 264.344 2.381 20 0 CEADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000451600878 283047213 /nfs/dbraw/zinc/04/72/13/283047213.db2.gz SJFNHSQVDIAPLR-KFWWJZLASA-N 2 1 282.428 2.182 20 0 CEADMP CCCN(CC[NH+]1CCCCCC1)C(=O)C[N@@H+](C)CCC ZINC000356638740 283052864 /nfs/dbraw/zinc/05/28/64/283052864.db2.gz GDMMRGRBRLHIOG-UHFFFAOYSA-N 2 1 297.487 2.443 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCc1ccc(Cl)cc1 ZINC000570173984 314029780 /nfs/dbraw/zinc/02/97/80/314029780.db2.gz SVDNHENTEIZJLS-HNNXBMFYSA-N 2 1 284.831 2.127 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCc1ccc(Cl)cc1 ZINC000570173984 314029784 /nfs/dbraw/zinc/02/97/84/314029784.db2.gz SVDNHENTEIZJLS-HNNXBMFYSA-N 2 1 284.831 2.127 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000570173984 314029787 /nfs/dbraw/zinc/02/97/87/314029787.db2.gz SVDNHENTEIZJLS-HNNXBMFYSA-N 2 1 284.831 2.127 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000570173984 314029790 /nfs/dbraw/zinc/02/97/90/314029790.db2.gz SVDNHENTEIZJLS-HNNXBMFYSA-N 2 1 284.831 2.127 20 0 CEADMP CC[C@H]1CCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000569919483 299225787 /nfs/dbraw/zinc/22/57/87/299225787.db2.gz YQPRSCSQGIZRDI-OTBWCIGPSA-N 2 1 279.472 2.371 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271834853 191357563 /nfs/dbraw/zinc/35/75/63/191357563.db2.gz FRUMDKPGLLJHIZ-APWZRJJASA-N 2 1 299.462 2.358 20 0 CEADMP COC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC000271832494 191354785 /nfs/dbraw/zinc/35/47/85/191354785.db2.gz SEGAIDPHLSWRBO-OAHLLOKOSA-N 2 1 259.353 2.169 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCC[C@H]2CCOC2)CC[N@@H+]1C ZINC000682673013 540134113 /nfs/dbraw/zinc/13/41/13/540134113.db2.gz LPVJRTTXAFZYPZ-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)CCC[C@H]2CCOC2)CC[N@H+]1C ZINC000682673013 540134118 /nfs/dbraw/zinc/13/41/18/540134118.db2.gz LPVJRTTXAFZYPZ-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)CCC[C@H]2CCOC2)CC[NH+]1C ZINC000682673013 540134120 /nfs/dbraw/zinc/13/41/20/540134120.db2.gz LPVJRTTXAFZYPZ-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)CCC[C@H]2CCOC2)CC[NH+]1C ZINC000682673013 540134126 /nfs/dbraw/zinc/13/41/26/540134126.db2.gz LPVJRTTXAFZYPZ-QLFBSQMISA-N 2 1 254.418 2.218 20 0 CEADMP CC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000683436497 540188774 /nfs/dbraw/zinc/18/87/74/540188774.db2.gz WRCMDAFLUXGKAP-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@H+]1CC[C@H](NC2CC([NH+]3CCCCC3)C2)[C@H]2CCC[C@H]21 ZINC000353611806 283132607 /nfs/dbraw/zinc/13/26/07/283132607.db2.gz ZZGCNPXRVLCWPE-KWXGJIJISA-N 2 1 291.483 2.466 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CCCC2)[C@@H]2CCC[C@@H]21 ZINC000353670253 283134148 /nfs/dbraw/zinc/13/41/48/283134148.db2.gz KTRLXKNNMOTBFH-KKUMJFAQSA-N 2 1 266.429 2.002 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC000252187932 291082750 /nfs/dbraw/zinc/08/27/50/291082750.db2.gz UOPKQQQVZOVUEJ-UUQIVFDPSA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000252187932 291082755 /nfs/dbraw/zinc/08/27/55/291082755.db2.gz UOPKQQQVZOVUEJ-UUQIVFDPSA-N 2 1 252.402 2.159 20 0 CEADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC000273659371 192249881 /nfs/dbraw/zinc/24/98/81/192249881.db2.gz XTQJZUMLZCPBOT-GOEBONIOSA-N 2 1 277.412 2.441 20 0 CEADMP C[N@@H+](CCC[NH3+])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000414762403 540245675 /nfs/dbraw/zinc/24/56/75/540245675.db2.gz VYZQHSNIBKFXJX-LSDHHAIUSA-N 2 1 266.360 2.326 20 0 CEADMP C[N@H+](Cc1cccc(-c2ccccc2)c1)C[C@H](O)C[NH3+] ZINC000415062018 540249417 /nfs/dbraw/zinc/24/94/17/540249417.db2.gz XOCVSFCCOFORFV-QGZVFWFLSA-N 2 1 270.376 2.105 20 0 CEADMP c1ccc(-c2cccc(CNC[C@@H]3C[NH2+]CCO3)c2)cc1 ZINC000415091130 540250241 /nfs/dbraw/zinc/25/02/41/540250241.db2.gz BRFVARXBKKTCTO-SFHVURJKSA-N 2 1 282.387 2.432 20 0 CEADMP CC[NH+](CC)CCCN(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000338283575 366273808 /nfs/dbraw/zinc/27/38/08/366273808.db2.gz SDAAGOWKIPJAOM-HOTGVXAUSA-N 2 1 269.477 2.380 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCC[C@H]1C ZINC000386160518 540248492 /nfs/dbraw/zinc/24/84/92/540248492.db2.gz QMDDHZDYOHRZBW-KFWWJZLASA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000386160518 540248494 /nfs/dbraw/zinc/24/84/94/540248494.db2.gz QMDDHZDYOHRZBW-KFWWJZLASA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000386160518 540248495 /nfs/dbraw/zinc/24/84/95/540248495.db2.gz QMDDHZDYOHRZBW-KFWWJZLASA-N 2 1 256.434 2.198 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCO[C@@H]1CCCCO1 ZINC000452100037 283187121 /nfs/dbraw/zinc/18/71/21/283187121.db2.gz YKUJZKWSDOPVRV-OAHLLOKOSA-N 2 1 284.444 2.384 20 0 CEADMP C[NH+](C)CCC[N@@H+](C)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000496120810 291109450 /nfs/dbraw/zinc/10/94/50/291109450.db2.gz OCDYHJXCROZYMB-UHFFFAOYSA-N 2 1 299.459 2.175 20 0 CEADMP C[C@H]([NH2+]CCc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000579108468 314549412 /nfs/dbraw/zinc/54/94/12/314549412.db2.gz RUUKMQUOMBPZMR-HZMBPMFUSA-N 2 1 254.324 2.237 20 0 CEADMP C[NH+](C)CC1(C[NH2+]C[C@](C)(O)C(F)(F)F)CCCC1 ZINC000575862548 366367508 /nfs/dbraw/zinc/36/75/08/366367508.db2.gz BZFZLAHFEFMKGQ-NSHDSACASA-N 2 1 282.350 2.011 20 0 CEADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000570507836 299260434 /nfs/dbraw/zinc/26/04/34/299260434.db2.gz DOZIFTHNJBFETQ-PWSUYJOCSA-N 2 1 264.398 2.003 20 0 CEADMP NC(=O)C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC1 ZINC000333663168 283263283 /nfs/dbraw/zinc/26/32/83/283263283.db2.gz WTLGZGIJCONCAX-UHFFFAOYSA-N 2 1 265.401 2.298 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC1(C)CCC1 ZINC000432777376 538895609 /nfs/dbraw/zinc/89/56/09/538895609.db2.gz UQEAXHFSXUZMIR-ILXRZTDVSA-N 2 1 266.429 2.360 20 0 CEADMP COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1F ZINC000165734561 540323925 /nfs/dbraw/zinc/32/39/25/540323925.db2.gz CBMOFCHJNFDDLV-NWDGAFQWSA-N 2 1 266.360 2.394 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1F ZINC000165734561 540323927 /nfs/dbraw/zinc/32/39/27/540323927.db2.gz CBMOFCHJNFDDLV-NWDGAFQWSA-N 2 1 266.360 2.394 20 0 CEADMP CCC[NH+]1CCC(NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000156595677 540340102 /nfs/dbraw/zinc/34/01/02/540340102.db2.gz UPKWAFVAEIQWCD-OAHLLOKOSA-N 2 1 267.461 2.325 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@@H]1C ZINC000353927399 291123929 /nfs/dbraw/zinc/12/39/29/291123929.db2.gz INFHUGJZERSCOX-LYYZXLFJSA-N 2 1 294.439 2.181 20 0 CEADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H]1C ZINC000353927399 291123932 /nfs/dbraw/zinc/12/39/32/291123932.db2.gz INFHUGJZERSCOX-LYYZXLFJSA-N 2 1 294.439 2.181 20 0 CEADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cn1 ZINC000360715532 540389279 /nfs/dbraw/zinc/38/92/79/540389279.db2.gz SVSXLNQQPXRPJS-UHFFFAOYSA-N 2 1 259.397 2.497 20 0 CEADMP COC(=O)C(C)(C)CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000338545453 366404349 /nfs/dbraw/zinc/40/43/49/366404349.db2.gz ZUNNJVHDQHKRCR-UHFFFAOYSA-N 2 1 270.417 2.038 20 0 CEADMP CC(C)(C)[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000570815186 299278655 /nfs/dbraw/zinc/27/86/55/299278655.db2.gz ZIROYROTHJRFPZ-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)(C)[NH+]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000570815186 299278657 /nfs/dbraw/zinc/27/86/57/299278657.db2.gz ZIROYROTHJRFPZ-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)(C)[NH+]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000570815186 299278659 /nfs/dbraw/zinc/27/86/59/299278659.db2.gz ZIROYROTHJRFPZ-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000414919117 236556267 /nfs/dbraw/zinc/55/62/67/236556267.db2.gz WBUQSSAHMWSMAZ-HCXYKTFWSA-N 2 1 299.462 2.096 20 0 CEADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000414919117 236556269 /nfs/dbraw/zinc/55/62/69/236556269.db2.gz WBUQSSAHMWSMAZ-HCXYKTFWSA-N 3 1 299.462 2.096 20 0 CEADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000414919117 236556271 /nfs/dbraw/zinc/55/62/71/236556271.db2.gz WBUQSSAHMWSMAZ-HCXYKTFWSA-N 3 1 299.462 2.096 20 0 CEADMP C[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000414930569 236560662 /nfs/dbraw/zinc/56/06/62/236560662.db2.gz QADYFAARQSHICB-RKDXNWHRSA-N 2 1 289.192 2.456 20 0 CEADMP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414947408 236568763 /nfs/dbraw/zinc/56/87/63/236568763.db2.gz KTUWUXVCBMQESC-RISCZKNCSA-N 2 1 250.390 2.003 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496632719 291156782 /nfs/dbraw/zinc/15/67/82/291156782.db2.gz MWVSQHPCQFGAMB-CQSZACIVSA-N 2 1 299.459 2.175 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496632719 291156783 /nfs/dbraw/zinc/15/67/83/291156783.db2.gz MWVSQHPCQFGAMB-CQSZACIVSA-N 2 1 299.459 2.175 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496632719 291156784 /nfs/dbraw/zinc/15/67/84/291156784.db2.gz MWVSQHPCQFGAMB-CQSZACIVSA-N 2 1 299.459 2.175 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496632719 291156785 /nfs/dbraw/zinc/15/67/85/291156785.db2.gz MWVSQHPCQFGAMB-CQSZACIVSA-N 2 1 299.459 2.175 20 0 CEADMP CC[C@@H](c1ccccc1OC)N(C)C[C@@H](O)C[N@@H+](C)CC ZINC000578245133 366467497 /nfs/dbraw/zinc/46/74/97/366467497.db2.gz DHXLGRWJRWCXMD-HOCLYGCPSA-N 2 1 294.439 2.391 20 0 CEADMP C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417398129 237108973 /nfs/dbraw/zinc/10/89/73/237108973.db2.gz HHNOILGXHOGVQJ-XOYOTBSWSA-N 2 1 288.435 2.400 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671744893 540497425 /nfs/dbraw/zinc/49/74/25/540497425.db2.gz AWSNLLMXNXZPSV-JTQLQIEISA-N 2 1 286.335 2.389 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCOCC2CCC2)[C@H]2CCC[C@@H]21 ZINC000671760757 540504759 /nfs/dbraw/zinc/50/47/59/540504759.db2.gz BWBKDHUOARBKCZ-PMPSAXMXSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(CO)cc2)[C@@H]2CCC[C@H]21 ZINC000671755369 540502177 /nfs/dbraw/zinc/50/21/77/540502177.db2.gz URIHCAHIZSUAEQ-OKZBNKHCSA-N 2 1 288.435 2.184 20 0 CEADMP C[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1C ZINC000667693679 540521249 /nfs/dbraw/zinc/52/12/49/540521249.db2.gz SASHVYYTSWEIHV-CHWSQXEVSA-N 2 1 256.353 2.498 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1C ZINC000667693679 540521250 /nfs/dbraw/zinc/52/12/50/540521250.db2.gz SASHVYYTSWEIHV-CHWSQXEVSA-N 2 1 256.353 2.498 20 0 CEADMP CCN(CC)c1ncc(C[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000666855396 540510235 /nfs/dbraw/zinc/51/02/35/540510235.db2.gz PRPXARZCPDVSDA-LBPRGKRZSA-N 2 1 282.457 2.221 20 0 CEADMP Cc1cccnc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297369719 200165613 /nfs/dbraw/zinc/16/56/13/200165613.db2.gz HMJRBQGJVBUUIW-UHFFFAOYSA-N 2 1 259.397 2.149 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H](C2CC2)C2CCC2)CCOCC1 ZINC000453119684 283479178 /nfs/dbraw/zinc/47/91/78/283479178.db2.gz MJUHLIARGWFHMU-OAHLLOKOSA-N 2 1 266.429 2.266 20 0 CEADMP Fc1ccccc1CC[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000137610852 366545608 /nfs/dbraw/zinc/54/56/08/366545608.db2.gz OQHDGWYMZVEZKM-HNNXBMFYSA-N 2 1 292.398 2.022 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000297617824 200244148 /nfs/dbraw/zinc/24/41/48/200244148.db2.gz LEKFHBXDWXLCJM-OAHLLOKOSA-N 2 1 293.798 2.329 20 0 CEADMP C[C@H]1C[C@H](N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1C ZINC000151120563 366622934 /nfs/dbraw/zinc/62/29/34/366622934.db2.gz DCXKPWTWKYFJIY-USXIJHARSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1C[C@H](N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1C ZINC000151120563 366622938 /nfs/dbraw/zinc/62/29/38/366622938.db2.gz DCXKPWTWKYFJIY-USXIJHARSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1C[C@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1C ZINC000151120563 366622942 /nfs/dbraw/zinc/62/29/42/366622942.db2.gz DCXKPWTWKYFJIY-USXIJHARSA-N 2 1 279.472 2.323 20 0 CEADMP CCn1ccnc1[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000297913924 200303214 /nfs/dbraw/zinc/30/32/14/200303214.db2.gz WTSGLPGODURXKO-QWHCGFSZSA-N 2 1 275.400 2.395 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCC[C@H]1C ZINC000339065810 366638953 /nfs/dbraw/zinc/63/89/53/366638953.db2.gz HODQNJOWVFSRNW-QBPKDAKJSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1CCCC[C@H]1C ZINC000339065810 366638954 /nfs/dbraw/zinc/63/89/54/366638954.db2.gz HODQNJOWVFSRNW-QBPKDAKJSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+]1CCCC[C@H]1C ZINC000339065810 366638957 /nfs/dbraw/zinc/63/89/57/366638957.db2.gz HODQNJOWVFSRNW-QBPKDAKJSA-N 2 1 279.472 2.466 20 0 CEADMP c1cncc(C[NH2+]CCC[NH2+]C(C2CC2)C2CC2)c1 ZINC000579580687 366666368 /nfs/dbraw/zinc/66/63/68/366666368.db2.gz VNABZULPCCICFQ-UHFFFAOYSA-N 2 1 259.397 2.340 20 0 CEADMP [NH3+]CC12CCC(CC1)C[N@H+]2CCCc1ccncc1 ZINC000579614202 366675062 /nfs/dbraw/zinc/67/50/62/366675062.db2.gz VPUPYTZXTABUCU-UHFFFAOYSA-N 2 1 259.397 2.218 20 0 CEADMP CC[C@H](C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000579542958 366658447 /nfs/dbraw/zinc/65/84/47/366658447.db2.gz NXXNEQZCKFWTHO-ZDUSSCGKSA-N 2 1 290.411 2.208 20 0 CEADMP C[C@H](CC(N)=O)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000341963079 216167938 /nfs/dbraw/zinc/16/79/38/216167938.db2.gz JLJZJHQKQCZJDC-KGLIPLIRSA-N 2 1 289.423 2.066 20 0 CEADMP C[C@@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000674289932 540741230 /nfs/dbraw/zinc/74/12/30/540741230.db2.gz WMGRXDGDZWHTFR-PMPSAXMXSA-N 2 1 295.471 2.050 20 0 CEADMP CCn1cc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cn1 ZINC000178702377 189139028 /nfs/dbraw/zinc/13/90/28/189139028.db2.gz OYPCWIRKJPYGBF-STQMWFEESA-N 2 1 275.400 2.395 20 0 CEADMP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCOC1 ZINC000675494853 540848325 /nfs/dbraw/zinc/84/83/25/540848325.db2.gz FCQHOXUWHZGEJU-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCOC1 ZINC000675494853 540848327 /nfs/dbraw/zinc/84/83/27/540848327.db2.gz FCQHOXUWHZGEJU-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP CC[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCOC1 ZINC000675494853 540848330 /nfs/dbraw/zinc/84/83/30/540848330.db2.gz FCQHOXUWHZGEJU-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP COc1nc(C)cc(C)c1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000675808679 540875404 /nfs/dbraw/zinc/87/54/04/540875404.db2.gz QGQOWRKXXQOXPW-KGLIPLIRSA-N 2 1 277.412 2.279 20 0 CEADMP C[NH+](C)CCCCC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000677470979 541017118 /nfs/dbraw/zinc/01/71/18/541017118.db2.gz ICFDMIBXRBTMCE-INIZCTEOSA-N 2 1 289.423 2.021 20 0 CEADMP C[NH+](C)CCCCC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000677470979 541017120 /nfs/dbraw/zinc/01/71/20/541017120.db2.gz ICFDMIBXRBTMCE-INIZCTEOSA-N 2 1 289.423 2.021 20 0 CEADMP CCc1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000579719992 366692067 /nfs/dbraw/zinc/69/20/67/366692067.db2.gz YJEUCIFHERIIJK-CHWSQXEVSA-N 2 1 263.385 2.059 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CCc1ccccc1 ZINC000579727797 366693038 /nfs/dbraw/zinc/69/30/38/366693038.db2.gz YBNIHFVBPVYOBJ-QZTJIDSGSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000579727797 366693043 /nfs/dbraw/zinc/69/30/43/366693043.db2.gz YBNIHFVBPVYOBJ-QZTJIDSGSA-N 2 1 290.451 2.396 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000579727797 366693045 /nfs/dbraw/zinc/69/30/45/366693045.db2.gz YBNIHFVBPVYOBJ-QZTJIDSGSA-N 2 1 290.451 2.396 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000579791283 366701333 /nfs/dbraw/zinc/70/13/33/366701333.db2.gz AUYHBFJFJJJRAH-ROUUACIJSA-N 2 1 290.451 2.315 20 0 CEADMP Cc1cccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000579953485 366729371 /nfs/dbraw/zinc/72/93/71/366729371.db2.gz INMXWJGBQZWTHK-KRWDZBQOSA-N 2 1 274.408 2.449 20 0 CEADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(-n2cncn2)cc1 ZINC000181921689 189310447 /nfs/dbraw/zinc/31/04/47/189310447.db2.gz XDXDIKUSYUJTNS-ZBFHGGJFSA-N 2 1 299.422 2.402 20 0 CEADMP CCCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1 ZINC000154374715 366770962 /nfs/dbraw/zinc/77/09/62/366770962.db2.gz IYHXCMGHZFPQGH-JKSUJKDBSA-N 2 1 264.413 2.430 20 0 CEADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000580271003 366771588 /nfs/dbraw/zinc/77/15/88/366771588.db2.gz CLWIXTZFMFXNGZ-KFWWJZLASA-N 2 1 293.480 2.282 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000581579571 366796652 /nfs/dbraw/zinc/79/66/52/366796652.db2.gz FPMBSKWCXJMSPQ-AWEZNQCLSA-N 2 1 258.409 2.333 20 0 CEADMP Cc1nccc([C@@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000678072980 541076838 /nfs/dbraw/zinc/07/68/38/541076838.db2.gz HCJOYLREBKNCSP-HZPDHXFCSA-N 2 1 288.439 2.449 20 0 CEADMP Cc1nccc([C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000678072980 541076843 /nfs/dbraw/zinc/07/68/43/541076843.db2.gz HCJOYLREBKNCSP-HZPDHXFCSA-N 2 1 288.439 2.449 20 0 CEADMP Cc1nccc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000678072980 541076845 /nfs/dbraw/zinc/07/68/45/541076845.db2.gz HCJOYLREBKNCSP-HZPDHXFCSA-N 2 1 288.439 2.449 20 0 CEADMP Cc1nccc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000678072980 541076848 /nfs/dbraw/zinc/07/68/48/541076848.db2.gz HCJOYLREBKNCSP-HZPDHXFCSA-N 2 1 288.439 2.449 20 0 CEADMP Cc1[nH+]ccn1CCN1CC[NH+](CC2CCCCC2)CC1 ZINC000342556658 216398452 /nfs/dbraw/zinc/39/84/52/216398452.db2.gz ULOAAIDVLXSIQG-UHFFFAOYSA-N 2 1 290.455 2.389 20 0 CEADMP C[C@H](CCCCO)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000679330085 541256462 /nfs/dbraw/zinc/25/64/62/541256462.db2.gz XUAFCAQJGGZGGH-HUUCEWRRSA-N 2 1 256.434 2.392 20 0 CEADMP C[N@@H+](CCc1ccc2c(c1)CCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000088103054 363878190 /nfs/dbraw/zinc/87/81/90/363878190.db2.gz REIOTKPGPMUWAW-SJPCQFCGSA-N 2 1 286.419 2.379 20 0 CEADMP Cc1ncsc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000088868838 363925421 /nfs/dbraw/zinc/92/54/21/363925421.db2.gz JMCYQYDSEOSZRV-UHFFFAOYSA-N 2 1 253.415 2.417 20 0 CEADMP C[C@@H]([NH2+]C1CSC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679841222 541324727 /nfs/dbraw/zinc/32/47/27/541324727.db2.gz SUNZFSSALUGVIE-NEPJUHHUSA-N 2 1 254.443 2.344 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ncccc1Cl ZINC000090408825 364055746 /nfs/dbraw/zinc/05/57/46/364055746.db2.gz AHSHOSYORHYYQS-DYEKYZERSA-N 2 1 297.830 2.432 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ncccc2Cl)[C@H](C)C1 ZINC000090408314 364055813 /nfs/dbraw/zinc/05/58/13/364055813.db2.gz RPYWKHTWSWDREB-TZMCWYRMSA-N 2 1 297.830 2.434 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CCC1CC[NH2+]CC1 ZINC000237544157 370731056 /nfs/dbraw/zinc/73/10/56/370731056.db2.gz OFMPDLQJQHJFBN-HUUCEWRRSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCOCC[NH3+] ZINC000093232473 364152893 /nfs/dbraw/zinc/15/28/93/364152893.db2.gz FYLVZTHWVQLMGY-NSHDSACASA-N 2 1 256.777 2.308 20 0 CEADMP C1=C(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)COCC1 ZINC000093683788 364214312 /nfs/dbraw/zinc/21/43/12/364214312.db2.gz JQUSWUOWDRXWIK-HNNXBMFYSA-N 2 1 264.413 2.141 20 0 CEADMP C(C[N@H+]1CCCC2(CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000334783725 364265998 /nfs/dbraw/zinc/26/59/98/364265998.db2.gz ALTIXDBDCZWWQT-HNNXBMFYSA-N 2 1 266.429 2.269 20 0 CEADMP C[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000094341396 364268899 /nfs/dbraw/zinc/26/88/99/364268899.db2.gz HZMYCFSWKQCZEM-RISCZKNCSA-N 2 1 268.788 2.388 20 0 CEADMP c1csc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000094970025 364319685 /nfs/dbraw/zinc/31/96/85/364319685.db2.gz UAYPTQUJBGGCFM-LBPRGKRZSA-N 2 1 251.399 2.107 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000334997892 364328905 /nfs/dbraw/zinc/32/89/05/364328905.db2.gz HSMKNIHUVZCKLE-IYBDPMFKSA-N 2 1 287.407 2.076 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)CCCO1 ZINC000334970807 364298270 /nfs/dbraw/zinc/29/82/70/364298270.db2.gz GNCPJBWPVPQAIX-ZBFHGGJFSA-N 2 1 278.371 2.253 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)CCCO1 ZINC000334970807 364298273 /nfs/dbraw/zinc/29/82/73/364298273.db2.gz GNCPJBWPVPQAIX-ZBFHGGJFSA-N 2 1 278.371 2.253 20 0 CEADMP Clc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000335029924 364375151 /nfs/dbraw/zinc/37/51/51/364375151.db2.gz LHXNJMJJHFYVFV-UKRRQHHQSA-N 2 1 280.799 2.295 20 0 CEADMP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000335029923 364375235 /nfs/dbraw/zinc/37/52/35/364375235.db2.gz LHXNJMJJHFYVFV-HIFRSBDPSA-N 2 1 280.799 2.295 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000335076657 364441959 /nfs/dbraw/zinc/44/19/59/364441959.db2.gz VNSKOTHHZMQNAV-HFZWIWRYSA-N 3 1 277.456 2.109 20 0 CEADMP Brc1cccc2c1C[C@H]([NH2+][C@H]1CC[NH2+]C1)CC2 ZINC000335057483 364412956 /nfs/dbraw/zinc/41/29/56/364412956.db2.gz HAZYTZDKNJCDRB-NEPJUHHUSA-N 2 1 295.224 2.258 20 0 CEADMP COCCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157264443 366842982 /nfs/dbraw/zinc/84/29/82/366842982.db2.gz UAYIWONTJRJLSX-OAHLLOKOSA-N 2 1 254.418 2.363 20 0 CEADMP Cc1cnc(C)nc1N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000582072823 366859556 /nfs/dbraw/zinc/85/95/56/366859556.db2.gz KNEJWRFULSPVDK-WCQYABFASA-N 2 1 262.401 2.048 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000104134339 364679177 /nfs/dbraw/zinc/67/91/77/364679177.db2.gz VJDVVUHFGBGMRP-HNNXBMFYSA-N 2 1 283.460 2.096 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000335560392 364804355 /nfs/dbraw/zinc/80/43/55/364804355.db2.gz CDOLFJHXEYWVQR-BBRMVZONSA-N 2 1 289.423 2.119 20 0 CEADMP CCCC[NH+]1CCC([NH2+]Cc2cnn(CC)c2)CC1 ZINC000112097731 364773341 /nfs/dbraw/zinc/77/33/41/364773341.db2.gz PBJUZRRWNNDWGB-UHFFFAOYSA-N 2 1 264.417 2.257 20 0 CEADMP CCn1cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cn1 ZINC000112097020 364773467 /nfs/dbraw/zinc/77/34/67/364773467.db2.gz FKSQACMYVHXNMO-AWEZNQCLSA-N 2 1 264.417 2.115 20 0 CEADMP C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(F)c(F)c2)CC[NH2+]1 ZINC000335635951 212350204 /nfs/dbraw/zinc/35/02/04/212350204.db2.gz AQEXVLKIEAIGBN-WCBMZHEXSA-N 2 1 258.287 2.334 20 0 CEADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000113655861 364908140 /nfs/dbraw/zinc/90/81/40/364908140.db2.gz RZQOCNVQLXHHGQ-UHFFFAOYSA-N 2 1 293.386 2.086 20 0 CEADMP COC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CCCC1 ZINC000335752929 364932192 /nfs/dbraw/zinc/93/21/92/364932192.db2.gz ZODGUZAAFHMPER-LSDHHAIUSA-N 2 1 266.429 2.362 20 0 CEADMP COC1(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CCCC1 ZINC000335776683 364965203 /nfs/dbraw/zinc/96/52/03/364965203.db2.gz CUJIJTYOCVZHFF-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP COC1(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)CCCC1 ZINC000335776683 364965209 /nfs/dbraw/zinc/96/52/09/364965209.db2.gz CUJIJTYOCVZHFF-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP COC1(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)CCCC1 ZINC000335776683 364965214 /nfs/dbraw/zinc/96/52/14/364965214.db2.gz CUJIJTYOCVZHFF-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP COC(=O)[C@]12CCC[C@H]1C[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000118977017 365194052 /nfs/dbraw/zinc/19/40/52/365194052.db2.gz ZDSNERWPTIVUHO-RDJZCZTQSA-N 2 1 294.439 2.138 20 0 CEADMP C[C@@H](C(=O)NCC1(C)CC[NH+](C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000356992188 370803056 /nfs/dbraw/zinc/80/30/56/370803056.db2.gz UNPJZDHRALNHHB-ZNMIVQPWSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000119009144 365199318 /nfs/dbraw/zinc/19/93/18/365199318.db2.gz RFBHKLRBKFTPRL-BZUAXINKSA-N 2 1 267.461 2.179 20 0 CEADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cncs2)C1 ZINC000335998269 365270729 /nfs/dbraw/zinc/27/07/29/365270729.db2.gz SJDFYDHPKYVDOT-YPMHNXCESA-N 2 1 251.399 2.059 20 0 CEADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cncs2)C1 ZINC000335998269 365270733 /nfs/dbraw/zinc/27/07/33/365270733.db2.gz SJDFYDHPKYVDOT-YPMHNXCESA-N 2 1 251.399 2.059 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cncs2)C1 ZINC000335998269 365270735 /nfs/dbraw/zinc/27/07/35/365270735.db2.gz SJDFYDHPKYVDOT-YPMHNXCESA-N 2 1 251.399 2.059 20 0 CEADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cncs2)C1 ZINC000335998269 365270739 /nfs/dbraw/zinc/27/07/39/365270739.db2.gz SJDFYDHPKYVDOT-YPMHNXCESA-N 2 1 251.399 2.059 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C(C)(C)n2cncn2)C1 ZINC000340473875 366898540 /nfs/dbraw/zinc/89/85/40/366898540.db2.gz HOMRSTLGRZHGGY-LSDHHAIUSA-N 2 1 293.459 2.112 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cn[nH]c1 ZINC000340512366 366915309 /nfs/dbraw/zinc/91/53/09/366915309.db2.gz UJGOQLXYFSTJOU-LBPRGKRZSA-N 2 1 250.390 2.182 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000582838713 366964591 /nfs/dbraw/zinc/96/45/91/366964591.db2.gz WRXUPNHEMWQBRQ-RBSFLKMASA-N 2 1 267.461 2.322 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000582838713 366964595 /nfs/dbraw/zinc/96/45/95/366964595.db2.gz WRXUPNHEMWQBRQ-RBSFLKMASA-N 2 1 267.461 2.322 20 0 CEADMP COc1ccc(C[C@H](C)C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1F ZINC000340670750 366977412 /nfs/dbraw/zinc/97/74/12/366977412.db2.gz BVOCICBEHHRPAG-YWPYICTPSA-N 2 1 280.387 2.292 20 0 CEADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1F ZINC000340670750 366977418 /nfs/dbraw/zinc/97/74/18/366977418.db2.gz BVOCICBEHHRPAG-YWPYICTPSA-N 2 1 280.387 2.292 20 0 CEADMP COCC[N@H+](CCCc1c[nH+]cn1C)Cc1ccco1 ZINC000582972985 366985515 /nfs/dbraw/zinc/98/55/15/366985515.db2.gz YIGNXHGZOMNBJI-UHFFFAOYSA-N 2 1 277.368 2.094 20 0 CEADMP COCC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccco1 ZINC000582972985 366985520 /nfs/dbraw/zinc/98/55/20/366985520.db2.gz YIGNXHGZOMNBJI-UHFFFAOYSA-N 2 1 277.368 2.094 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cncnc1C ZINC000583214932 367018202 /nfs/dbraw/zinc/01/82/02/367018202.db2.gz WBXTZTAOXVUQDE-NWDGAFQWSA-N 2 1 273.384 2.277 20 0 CEADMP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000583095784 367000292 /nfs/dbraw/zinc/00/02/92/367000292.db2.gz UZCNDCOLABMPLQ-UONOGXRCSA-N 2 1 270.461 2.494 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CC[NH2+]C3)C1)C[NH2+]CC2 ZINC000584058284 367135802 /nfs/dbraw/zinc/13/58/02/367135802.db2.gz PICDVGLFKBEBBE-ROUUACIJSA-N 3 1 299.462 2.154 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]CC[C@H]1CCc2ccccc21)C1CC1 ZINC000583867568 367107814 /nfs/dbraw/zinc/10/78/14/367107814.db2.gz SCDGUWLWICBBGC-NVXWUHKLSA-N 2 1 288.435 2.151 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@H]1CCc2ccccc21)C1CC1 ZINC000583867568 367107817 /nfs/dbraw/zinc/10/78/17/367107817.db2.gz SCDGUWLWICBBGC-NVXWUHKLSA-N 2 1 288.435 2.151 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](CNc2ccccn2)C1 ZINC000245600972 370847467 /nfs/dbraw/zinc/84/74/67/370847467.db2.gz IVYSOLHXHXQMBL-HOTGVXAUSA-N 2 1 288.439 2.300 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000245600972 370847471 /nfs/dbraw/zinc/84/74/71/370847471.db2.gz IVYSOLHXHXQMBL-HOTGVXAUSA-N 2 1 288.439 2.300 20 0 CEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000245600972 370847476 /nfs/dbraw/zinc/84/74/76/370847476.db2.gz IVYSOLHXHXQMBL-HOTGVXAUSA-N 2 1 288.439 2.300 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](COC)Cc2ccccc2)C1 ZINC000163266482 367227010 /nfs/dbraw/zinc/22/70/10/367227010.db2.gz LTLQJPLDVGCIHV-IRXDYDNUSA-N 2 1 276.424 2.176 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(OC)c1 ZINC000163424716 367239169 /nfs/dbraw/zinc/23/91/69/367239169.db2.gz PLWJVSJEOHYENA-OCCSQVGLSA-N 2 1 278.396 2.121 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(OC)c1 ZINC000163424716 367239171 /nfs/dbraw/zinc/23/91/71/367239171.db2.gz PLWJVSJEOHYENA-OCCSQVGLSA-N 2 1 278.396 2.121 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(OC)c1 ZINC000163424820 367239181 /nfs/dbraw/zinc/23/91/81/367239181.db2.gz PLWJVSJEOHYENA-JSGCOSHPSA-N 2 1 278.396 2.121 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(OC)c1 ZINC000163424820 367239183 /nfs/dbraw/zinc/23/91/83/367239183.db2.gz PLWJVSJEOHYENA-JSGCOSHPSA-N 2 1 278.396 2.121 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000168419880 367353209 /nfs/dbraw/zinc/35/32/09/367353209.db2.gz KJTKKTLNHMKQKC-OAGGEKHMSA-N 2 1 295.471 2.227 20 0 CEADMP CCc1nc(NC[C@H](CC(C)C)[NH+](C)C)cc(C)[nH+]1 ZINC000341357254 367301851 /nfs/dbraw/zinc/30/18/51/367301851.db2.gz JYWRNQMRTCFKLR-ZDUSSCGKSA-N 2 1 264.417 2.158 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2OC)[C@H](C)C1 ZINC000341878662 367378770 /nfs/dbraw/zinc/37/87/70/367378770.db2.gz SEAOAVIEPQISPN-QPSCCSFWSA-N 2 1 254.418 2.121 20 0 CEADMP COc1ccc2c(c1)CC[C@H]2[NH2+]CCn1cc[nH+]c1C ZINC000631575169 367413156 /nfs/dbraw/zinc/41/31/56/367413156.db2.gz BTFBOBDDZBMRMD-MRXNPFEDSA-N 2 1 271.364 2.477 20 0 CEADMP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000631580334 367416933 /nfs/dbraw/zinc/41/69/33/367416933.db2.gz MCTFIPJBUXZVNC-DZGCQCFKSA-N 2 1 289.423 2.001 20 0 CEADMP C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631669729 367474424 /nfs/dbraw/zinc/47/44/24/367474424.db2.gz KFFZNFMUCQXDLU-DDBAPUKQSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631669755 367474973 /nfs/dbraw/zinc/47/49/73/367474973.db2.gz NCSRVIAAUWKPTM-DZJNRPSUSA-N 2 1 288.435 2.258 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631669755 367474980 /nfs/dbraw/zinc/47/49/80/367474980.db2.gz NCSRVIAAUWKPTM-DZJNRPSUSA-N 2 1 288.435 2.258 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](O)C(F)(F)F ZINC000631715265 367498605 /nfs/dbraw/zinc/49/86/05/367498605.db2.gz QFKPFRMNYSGBNK-USZNOCQGSA-N 2 1 282.350 2.007 20 0 CEADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](O)C(F)(F)F ZINC000631715265 367498618 /nfs/dbraw/zinc/49/86/18/367498618.db2.gz QFKPFRMNYSGBNK-USZNOCQGSA-N 2 1 282.350 2.007 20 0 CEADMP CC[NH+](CC)CC1CC[NH+](Cc2ncc(C)n2C)CC1 ZINC000342776904 367529834 /nfs/dbraw/zinc/52/98/34/367529834.db2.gz IZFAJUOTWONHQN-UHFFFAOYSA-N 2 1 278.444 2.282 20 0 CEADMP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@H]1CCCCO1 ZINC000631826882 367566126 /nfs/dbraw/zinc/56/61/26/367566126.db2.gz YZFMKSNLLLGWLQ-OAHLLOKOSA-N 2 1 254.418 2.397 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000631821666 367559977 /nfs/dbraw/zinc/55/99/77/367559977.db2.gz FQBNIJOUGFSVKP-KGLIPLIRSA-N 2 1 274.408 2.319 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc2c1CCOC2 ZINC000631826566 367564435 /nfs/dbraw/zinc/56/44/35/367564435.db2.gz QYDYWCKZNQLFQF-MRXNPFEDSA-N 2 1 274.408 2.463 20 0 CEADMP [NH3+][C@H]1CCCCC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000631833103 367571170 /nfs/dbraw/zinc/57/11/70/367571170.db2.gz SPDRFHFWTXYRED-AWEZNQCLSA-N 2 1 275.396 2.219 20 0 CEADMP [NH3+][C@H]1CCCCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000631833103 367571176 /nfs/dbraw/zinc/57/11/76/367571176.db2.gz SPDRFHFWTXYRED-AWEZNQCLSA-N 2 1 275.396 2.219 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1nc(C3CCC3)no1)CC[NH2+]CC2 ZINC000631829092 367567569 /nfs/dbraw/zinc/56/75/69/367567569.db2.gz GRNYYKWLLZMGNM-LBPRGKRZSA-N 2 1 290.411 2.301 20 0 CEADMP C[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000631838288 367579447 /nfs/dbraw/zinc/57/94/47/367579447.db2.gz LTVAUEWTIMZZGD-TZMCWYRMSA-N 2 1 250.361 2.285 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000631842148 367582609 /nfs/dbraw/zinc/58/26/09/367582609.db2.gz WAUCTPAAXFKVJD-HUUCEWRRSA-N 2 1 262.397 2.372 20 0 CEADMP Cc1ccncc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335542423 212242538 /nfs/dbraw/zinc/24/25/38/212242538.db2.gz FILVZSLOGTVXMZ-AWEZNQCLSA-N 2 1 259.397 2.354 20 0 CEADMP COc1cccc(CCC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000631867888 367602114 /nfs/dbraw/zinc/60/21/14/367602114.db2.gz NSHNDXDBQRFBTL-WBVHZDCISA-N 2 1 274.408 2.360 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnn2ccccc12 ZINC000171764694 367612319 /nfs/dbraw/zinc/61/23/19/367612319.db2.gz MLNJOTKAYOYLMV-CYBMUJFWSA-N 2 1 283.379 2.265 20 0 CEADMP COc1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890312 367612660 /nfs/dbraw/zinc/61/26/60/367612660.db2.gz OPYSBQYCOPZJMP-ZBFHGGJFSA-N 2 1 260.381 2.269 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000343063039 367653456 /nfs/dbraw/zinc/65/34/56/367653456.db2.gz GRPIUBMRXFYGBI-NVXWUHKLSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@H]1NCCC[N@H+](C)Cc1ccccc1 ZINC000343063039 367653465 /nfs/dbraw/zinc/65/34/65/367653465.db2.gz GRPIUBMRXFYGBI-NVXWUHKLSA-N 2 1 275.440 2.048 20 0 CEADMP C[C@@H]1C[NH+](C)C[C@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000343063039 367653474 /nfs/dbraw/zinc/65/34/74/367653474.db2.gz GRPIUBMRXFYGBI-NVXWUHKLSA-N 2 1 275.440 2.048 20 0 CEADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000572532915 299377351 /nfs/dbraw/zinc/37/73/51/299377351.db2.gz JSKADIUDORIUMO-CQSZACIVSA-N 2 1 254.418 2.003 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCOc2ccccc2)C1 ZINC000172197944 367696900 /nfs/dbraw/zinc/69/69/00/367696900.db2.gz OEFXQSBOOSGFHD-OAHLLOKOSA-N 2 1 262.397 2.339 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCn2ccnc2)C[C@H]1C ZINC000343314852 367752088 /nfs/dbraw/zinc/75/20/88/367752088.db2.gz OORIONIWQWUXAP-CABCVRRESA-N 2 1 264.417 2.078 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCn2ccnc2)C[C@H]1C ZINC000343314852 367752096 /nfs/dbraw/zinc/75/20/96/367752096.db2.gz OORIONIWQWUXAP-CABCVRRESA-N 2 1 264.417 2.078 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCn2ccnc2)C[C@H]1C ZINC000343314852 367752107 /nfs/dbraw/zinc/75/21/07/367752107.db2.gz OORIONIWQWUXAP-CABCVRRESA-N 2 1 264.417 2.078 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2nccs2)[C@@H](C)C1 ZINC000358048839 370885236 /nfs/dbraw/zinc/88/52/36/370885236.db2.gz QSJWGZLESAOWNI-STQMWFEESA-N 2 1 267.442 2.396 20 0 CEADMP Cc1cccc(OCC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358057379 370889502 /nfs/dbraw/zinc/88/95/02/370889502.db2.gz FYIFOVOYZZDYJZ-GDBMZVCRSA-N 2 1 262.397 2.304 20 0 CEADMP CC[N@@H+]1C[C@H](NC[C@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000343427930 367808582 /nfs/dbraw/zinc/80/85/82/367808582.db2.gz KYFGRBRGPTXCPR-JYJNAYRXSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1C[C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000343427930 367808587 /nfs/dbraw/zinc/80/85/87/367808587.db2.gz KYFGRBRGPTXCPR-JYJNAYRXSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000343582171 367897766 /nfs/dbraw/zinc/89/77/66/367897766.db2.gz XXAMCTOOJFCWKG-VNQPRFMTSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000343582171 367897772 /nfs/dbraw/zinc/89/77/72/367897772.db2.gz XXAMCTOOJFCWKG-VNQPRFMTSA-N 2 1 267.461 2.037 20 0 CEADMP c1cncc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000344263008 368115880 /nfs/dbraw/zinc/11/58/80/368115880.db2.gz QIILCKHCFFWLPU-QZWWFDLISA-N 2 1 287.407 2.128 20 0 CEADMP CC[C@H](C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)[NH+](CC)CC ZINC000344543140 368127314 /nfs/dbraw/zinc/12/73/14/368127314.db2.gz UGIZTZJBRVCNGI-ARFHVFGLSA-N 2 1 297.487 2.343 20 0 CEADMP CO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000572601261 299383217 /nfs/dbraw/zinc/38/32/17/299383217.db2.gz BTZKCPIUIRNNQU-MWQQHZPXSA-N 2 1 296.455 2.033 20 0 CEADMP C[N@@H+](CCOCc1ccccc1)CC1CC[NH2+]CC1 ZINC000178977315 368318701 /nfs/dbraw/zinc/31/87/01/368318701.db2.gz DNYRYYDCZGSFLA-UHFFFAOYSA-N 2 1 262.397 2.135 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCOCC(F)(F)F ZINC000177920546 368283334 /nfs/dbraw/zinc/28/33/34/368283334.db2.gz YISFFBPJBYELLP-IJLUTSLNSA-N 2 1 282.350 2.274 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCOCC(F)(F)F ZINC000177920560 368283548 /nfs/dbraw/zinc/28/35/48/368283548.db2.gz YISFFBPJBYELLP-GRYCIOLGSA-N 2 1 282.350 2.274 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)C12CCC2 ZINC000178818885 368311763 /nfs/dbraw/zinc/31/17/63/368311763.db2.gz NUODCJXANBHHTH-HZPDHXFCSA-N 2 1 296.455 2.035 20 0 CEADMP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000682172662 541643894 /nfs/dbraw/zinc/64/38/94/541643894.db2.gz IZSFGKTVDGDMME-MRXNPFEDSA-N 2 1 289.423 2.214 20 0 CEADMP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000682172662 541643897 /nfs/dbraw/zinc/64/38/97/541643897.db2.gz IZSFGKTVDGDMME-MRXNPFEDSA-N 2 1 289.423 2.214 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]1(C)CCCO ZINC000345952480 368493259 /nfs/dbraw/zinc/49/32/59/368493259.db2.gz NSBIPUOQXVNKHQ-HUUCEWRRSA-N 2 1 254.418 2.098 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(-n2ccnn2)cc1 ZINC000182056071 368519968 /nfs/dbraw/zinc/51/99/68/368519968.db2.gz RSPZNPZAZYOEIB-HOCLYGCPSA-N 2 1 299.422 2.402 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182828456 368594403 /nfs/dbraw/zinc/59/44/03/368594403.db2.gz HJNWEOHSJZKWAD-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182828456 368594405 /nfs/dbraw/zinc/59/44/05/368594405.db2.gz HJNWEOHSJZKWAD-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182828456 368594409 /nfs/dbraw/zinc/59/44/09/368594409.db2.gz HJNWEOHSJZKWAD-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CN(C)[C@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346154421 368565052 /nfs/dbraw/zinc/56/50/52/368565052.db2.gz QUGWHOQZEJFMDP-ZDUSSCGKSA-N 2 1 290.436 2.460 20 0 CEADMP COC1CCC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000183142396 368613677 /nfs/dbraw/zinc/61/36/77/368613677.db2.gz CTDJODYQHVCDNI-RYTJFDOTSA-N 2 1 298.471 2.423 20 0 CEADMP C[C@H]1[C@H](NC2CC[NH+](C(C)(C)C)CC2)CCC[N@H+]1C ZINC000346325430 368636951 /nfs/dbraw/zinc/63/69/51/368636951.db2.gz HLGATDIRACQUKK-DZGCQCFKSA-N 2 1 267.461 2.322 20 0 CEADMP C[C@H]1[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CCCN1C ZINC000346325430 368636956 /nfs/dbraw/zinc/63/69/56/368636956.db2.gz HLGATDIRACQUKK-DZGCQCFKSA-N 2 1 267.461 2.322 20 0 CEADMP CCOCC[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346357939 368649155 /nfs/dbraw/zinc/64/91/55/368649155.db2.gz QPWPERTUVFHKDZ-UHFFFAOYSA-N 2 1 274.368 2.044 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(OC)CC2)[C@@H](C)C1 ZINC000346424515 368670264 /nfs/dbraw/zinc/67/02/64/368670264.db2.gz LBKPEPDFZLPVDT-VXGQWTEUSA-N 2 1 254.418 2.264 20 0 CEADMP C1=C(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)COCC1 ZINC000246104163 370909217 /nfs/dbraw/zinc/90/92/17/370909217.db2.gz JKRPNCZAUYYSNB-NVXWUHKLSA-N 2 1 276.424 2.282 20 0 CEADMP C1=C(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)COCC1 ZINC000246104163 370909225 /nfs/dbraw/zinc/90/92/25/370909225.db2.gz JKRPNCZAUYYSNB-NVXWUHKLSA-N 2 1 276.424 2.282 20 0 CEADMP C1=C(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)COCC1 ZINC000246104163 370909229 /nfs/dbraw/zinc/90/92/29/370909229.db2.gz JKRPNCZAUYYSNB-NVXWUHKLSA-N 2 1 276.424 2.282 20 0 CEADMP C1=C(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)COCC1 ZINC000246104163 370909235 /nfs/dbraw/zinc/90/92/35/370909235.db2.gz JKRPNCZAUYYSNB-NVXWUHKLSA-N 2 1 276.424 2.282 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000358162110 370931561 /nfs/dbraw/zinc/93/15/61/370931561.db2.gz LKIPZJUFNIARMM-QGZVFWFLSA-N 2 1 276.424 2.140 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000358162110 370931566 /nfs/dbraw/zinc/93/15/66/370931566.db2.gz LKIPZJUFNIARMM-QGZVFWFLSA-N 2 1 276.424 2.140 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000246332344 370948333 /nfs/dbraw/zinc/94/83/33/370948333.db2.gz GEBRWVNBWPAXJM-OWYFMNJBSA-N 2 1 298.496 2.359 20 0 CEADMP CCCC1CCC(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358178744 370938461 /nfs/dbraw/zinc/93/84/61/370938461.db2.gz ZEEFUQWGWQBRGH-UYSNPLJNSA-N 2 1 268.445 2.249 20 0 CEADMP CCCC1CCC(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358178744 370938466 /nfs/dbraw/zinc/93/84/66/370938466.db2.gz ZEEFUQWGWQBRGH-UYSNPLJNSA-N 2 1 268.445 2.249 20 0 CEADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC([NH3+])CC1 ZINC000346677037 368765925 /nfs/dbraw/zinc/76/59/25/368765925.db2.gz YYOMBUYCVFYSJD-UHFFFAOYSA-N 2 1 298.434 2.471 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cnc21 ZINC000346694028 368775874 /nfs/dbraw/zinc/77/58/74/368775874.db2.gz RJFQFDPDVWQPNR-QWHCGFSZSA-N 2 1 287.411 2.181 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)no1 ZINC000246332480 370947649 /nfs/dbraw/zinc/94/76/49/370947649.db2.gz SWJDNASWQPQBIO-RISCZKNCSA-N 2 1 260.341 2.263 20 0 CEADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)no1 ZINC000246332480 370947652 /nfs/dbraw/zinc/94/76/52/370947652.db2.gz SWJDNASWQPQBIO-RISCZKNCSA-N 2 1 260.341 2.263 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000346690749 368772887 /nfs/dbraw/zinc/77/28/87/368772887.db2.gz UUEGBNQDFLNPDY-AWEZNQCLSA-N 2 1 260.385 2.368 20 0 CEADMP COc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH3+])CC2)cc1 ZINC000346657093 368755802 /nfs/dbraw/zinc/75/58/02/368755802.db2.gz TUKGWNKCQSFRGR-UHFFFAOYSA-N 2 1 286.379 2.008 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000634687442 368815767 /nfs/dbraw/zinc/81/57/67/368815767.db2.gz LBMLUSMMGZAEGW-ZDUSSCGKSA-N 2 1 255.365 2.276 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccc3c2OCCO3)C1 ZINC000634732976 368844378 /nfs/dbraw/zinc/84/43/78/368844378.db2.gz SSOVWNLUWFLRMW-AWEZNQCLSA-N 2 1 290.407 2.326 20 0 CEADMP Cc1nccn1CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934182 368829484 /nfs/dbraw/zinc/82/94/84/368829484.db2.gz QXSKZWAQJVSLBI-ZBFHGGJFSA-N 2 1 290.455 2.434 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934182 368829493 /nfs/dbraw/zinc/82/94/93/368829493.db2.gz QXSKZWAQJVSLBI-ZBFHGGJFSA-N 3 1 290.455 2.434 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934182 368829498 /nfs/dbraw/zinc/82/94/98/368829498.db2.gz QXSKZWAQJVSLBI-ZBFHGGJFSA-N 3 1 290.455 2.434 20 0 CEADMP CSC1(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000347943278 368834379 /nfs/dbraw/zinc/83/43/79/368834379.db2.gz OPAOPMRYXOCASI-NSHDSACASA-N 2 1 253.415 2.313 20 0 CEADMP C[C@@H]([NH2+]CC(=O)NC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185677596 368841561 /nfs/dbraw/zinc/84/15/61/368841561.db2.gz ONQMADWATACQMA-KGLIPLIRSA-N 2 1 295.471 2.144 20 0 CEADMP C[C@@H]([NH2+]CC(=O)NC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185677596 368841567 /nfs/dbraw/zinc/84/15/67/368841567.db2.gz ONQMADWATACQMA-KGLIPLIRSA-N 2 1 295.471 2.144 20 0 CEADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc4c3OCCCO4)C[C@@H]12 ZINC000346840861 368790869 /nfs/dbraw/zinc/79/08/69/368790869.db2.gz GRLFOBGUTLNYMZ-NWANDNLSSA-N 2 1 288.391 2.017 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+]1C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000634647608 368794815 /nfs/dbraw/zinc/79/48/15/368794815.db2.gz BLIYNGAFHQYIKK-UXLLHSPISA-N 2 1 274.408 2.106 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634647608 368794822 /nfs/dbraw/zinc/79/48/22/368794822.db2.gz BLIYNGAFHQYIKK-UXLLHSPISA-N 2 1 274.408 2.106 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634647608 368794826 /nfs/dbraw/zinc/79/48/26/368794826.db2.gz BLIYNGAFHQYIKK-UXLLHSPISA-N 2 1 274.408 2.106 20 0 CEADMP C[C@@H]1C[C@H](C)[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634647608 368794830 /nfs/dbraw/zinc/79/48/30/368794830.db2.gz BLIYNGAFHQYIKK-UXLLHSPISA-N 2 1 274.408 2.106 20 0 CEADMP C[C@@H]1C[C@H](C)[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634647608 368794835 /nfs/dbraw/zinc/79/48/35/368794835.db2.gz BLIYNGAFHQYIKK-UXLLHSPISA-N 2 1 274.408 2.106 20 0 CEADMP CSC1(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000348099861 368897972 /nfs/dbraw/zinc/89/79/72/368897972.db2.gz WYCHIXICCMHHJW-UHFFFAOYSA-N 2 1 286.485 2.361 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(O)cc(F)c2)C1 ZINC000186252240 368945564 /nfs/dbraw/zinc/94/55/64/368945564.db2.gz DHVKVWZLLSHDQF-LBPRGKRZSA-N 2 1 266.360 2.305 20 0 CEADMP CC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccn(C)n1 ZINC000635010333 369046882 /nfs/dbraw/zinc/04/68/82/369046882.db2.gz JSYHCFQHHQWXPD-CHWSQXEVSA-N 2 1 264.417 2.239 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000348350166 369012547 /nfs/dbraw/zinc/01/25/47/369012547.db2.gz XJGHZLOZDAGUGP-INMHGKMJSA-N 2 1 275.440 2.362 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000348350166 369012553 /nfs/dbraw/zinc/01/25/53/369012553.db2.gz XJGHZLOZDAGUGP-INMHGKMJSA-N 2 1 275.440 2.362 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[C@H]([NH3+])Cc2ccccc2)[C@@H](C)C1 ZINC000635009760 369047283 /nfs/dbraw/zinc/04/72/83/369047283.db2.gz WIAQAQNJKCHOCX-SZMVWBNQSA-N 2 1 289.467 2.266 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)[C@@H](C)C1 ZINC000635009760 369047290 /nfs/dbraw/zinc/04/72/90/369047290.db2.gz WIAQAQNJKCHOCX-SZMVWBNQSA-N 3 1 289.467 2.266 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)[C@@H](C)C1 ZINC000635009760 369047291 /nfs/dbraw/zinc/04/72/91/369047291.db2.gz WIAQAQNJKCHOCX-SZMVWBNQSA-N 3 1 289.467 2.266 20 0 CEADMP C[C@@H]([NH2+]CCc1cnn(C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000348360006 369016786 /nfs/dbraw/zinc/01/67/86/369016786.db2.gz BNPRHUKDRMRVQX-ZBFHGGJFSA-N 2 1 290.455 2.205 20 0 CEADMP CCn1ccnc1[C@@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635011208 369048080 /nfs/dbraw/zinc/04/80/80/369048080.db2.gz PMNSMWSBBHXQAF-CYBMUJFWSA-N 2 1 284.407 2.400 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000634998066 369028155 /nfs/dbraw/zinc/02/81/55/369028155.db2.gz AFBGFNULYSNRPA-DGCLKSJQSA-N 2 1 288.370 2.242 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000634998067 369028605 /nfs/dbraw/zinc/02/86/05/369028605.db2.gz AFBGFNULYSNRPA-WCQYABFASA-N 2 1 288.370 2.242 20 0 CEADMP C[C@@H](C[NH+]1CCCCCC1)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000186735602 369030167 /nfs/dbraw/zinc/03/01/67/369030167.db2.gz ARHMDJWVZVNECF-ARFHVFGLSA-N 2 1 267.461 2.323 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccsc2)C[C@H]1C[NH3+] ZINC000634999153 369034097 /nfs/dbraw/zinc/03/40/97/369034097.db2.gz QRUDSXPCDPXGIX-ZYHUDNBSSA-N 2 1 276.409 2.165 20 0 CEADMP Cc1oc2ccccc2c1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635001338 369035564 /nfs/dbraw/zinc/03/55/64/369035564.db2.gz PIIGJSSAJIGGRI-UHFFFAOYSA-N 2 1 288.391 2.288 20 0 CEADMP C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000635002851 369038753 /nfs/dbraw/zinc/03/87/53/369038753.db2.gz AGKYAZXEEIJUAB-YMTOWFKASA-N 2 1 286.778 2.100 20 0 CEADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005420 369041610 /nfs/dbraw/zinc/04/16/10/369041610.db2.gz NKVNDQVCOQPCEU-DZUCGIPZSA-N 2 1 275.440 2.052 20 0 CEADMP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cc2n(n1)CCC2 ZINC000635006170 369042992 /nfs/dbraw/zinc/04/29/92/369042992.db2.gz XSAIKWVVWDXCAN-ZDUSSCGKSA-N 2 1 296.418 2.326 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635008258 369044344 /nfs/dbraw/zinc/04/43/44/369044344.db2.gz RGWWBUIKUJCHFU-ULQDDVLXSA-N 3 1 275.440 2.054 20 0 CEADMP C[C@H](C[NH+](C)C)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348286782 368985177 /nfs/dbraw/zinc/98/51/77/368985177.db2.gz GRPKCOJBBFUKDD-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CN(C)C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348286782 368985180 /nfs/dbraw/zinc/98/51/80/368985180.db2.gz GRPKCOJBBFUKDD-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CN(C)C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348286782 368985183 /nfs/dbraw/zinc/98/51/83/368985183.db2.gz GRPKCOJBBFUKDD-RYRKJORJSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCSCC1 ZINC000187187605 369118841 /nfs/dbraw/zinc/11/88/41/369118841.db2.gz SNVNVVNMZOKZDE-QWHCGFSZSA-N 2 1 256.459 2.450 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](CO)C2)[C@H](C)C1 ZINC000348639099 369108536 /nfs/dbraw/zinc/10/85/36/369108536.db2.gz GGMUNSMIRHWKNV-WCVJEAGWSA-N 2 1 268.445 2.105 20 0 CEADMP CC(C)C[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635435423 369171946 /nfs/dbraw/zinc/17/19/46/369171946.db2.gz QYMURPFLOCRAGZ-UHFFFAOYSA-N 2 1 297.487 2.201 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC000635602024 369240575 /nfs/dbraw/zinc/24/05/75/369240575.db2.gz FHLZNBYZOKURHM-HUUCEWRRSA-N 2 1 297.487 2.153 20 0 CEADMP CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC000635602024 369240578 /nfs/dbraw/zinc/24/05/78/369240578.db2.gz FHLZNBYZOKURHM-HUUCEWRRSA-N 2 1 297.487 2.153 20 0 CEADMP CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC000635602024 369240581 /nfs/dbraw/zinc/24/05/81/369240581.db2.gz FHLZNBYZOKURHM-HUUCEWRRSA-N 2 1 297.487 2.153 20 0 CEADMP C[C@@H](Cc1ccccc1F)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000188012940 369276287 /nfs/dbraw/zinc/27/62/87/369276287.db2.gz YCWJJIZLBGYDCS-AWEZNQCLSA-N 2 1 294.414 2.457 20 0 CEADMP CC(C)=CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000683202036 541773521 /nfs/dbraw/zinc/77/35/21/541773521.db2.gz GRNMDOQTCBQSLS-OAHLLOKOSA-N 2 1 252.402 2.186 20 0 CEADMP Cc1nccn1CCC[N@H+](C)Cc1ccc(C)cn1 ZINC000349367547 369310686 /nfs/dbraw/zinc/31/06/86/369310686.db2.gz LWTYHRHZAQWYSQ-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C)cn1 ZINC000349367547 369310690 /nfs/dbraw/zinc/31/06/90/369310690.db2.gz LWTYHRHZAQWYSQ-UHFFFAOYSA-N 2 1 258.369 2.417 20 0 CEADMP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000349833776 369416278 /nfs/dbraw/zinc/41/62/78/369416278.db2.gz LRCLWYZBZRLLIN-NTZNESFSSA-N 2 1 267.442 2.485 20 0 CEADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358225229 370959687 /nfs/dbraw/zinc/95/96/87/370959687.db2.gz CEMCOHNVJUZFQB-HZPDHXFCSA-N 2 1 262.397 2.184 20 0 CEADMP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358225229 370959690 /nfs/dbraw/zinc/95/96/90/370959690.db2.gz CEMCOHNVJUZFQB-HZPDHXFCSA-N 2 1 262.397 2.184 20 0 CEADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccccc3F)CC[C@H]21 ZINC000246384522 370953365 /nfs/dbraw/zinc/95/33/65/370953365.db2.gz AFWFRFVOXFQUIS-KBRIMQKVSA-N 2 1 292.398 2.275 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccccc3F)CC[C@H]21 ZINC000246384522 370953370 /nfs/dbraw/zinc/95/33/70/370953370.db2.gz AFWFRFVOXFQUIS-KBRIMQKVSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3F)CC[C@H]21 ZINC000246384522 370953374 /nfs/dbraw/zinc/95/33/74/370953374.db2.gz AFWFRFVOXFQUIS-KBRIMQKVSA-N 2 1 292.398 2.275 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3F)CC[C@H]21 ZINC000246384522 370953378 /nfs/dbraw/zinc/95/33/78/370953378.db2.gz AFWFRFVOXFQUIS-KBRIMQKVSA-N 2 1 292.398 2.275 20 0 CEADMP COCC1=CC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000189240087 369481219 /nfs/dbraw/zinc/48/12/19/369481219.db2.gz HWNCGODXQYHQFF-UHFFFAOYSA-N 2 1 252.402 2.141 20 0 CEADMP COCC1=CC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000189240087 369481222 /nfs/dbraw/zinc/48/12/22/369481222.db2.gz HWNCGODXQYHQFF-UHFFFAOYSA-N 2 1 252.402 2.141 20 0 CEADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358250252 370971961 /nfs/dbraw/zinc/97/19/61/370971961.db2.gz LEYGWZVGIBEMJP-GDBMZVCRSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000358250252 370971963 /nfs/dbraw/zinc/97/19/63/370971963.db2.gz LEYGWZVGIBEMJP-GDBMZVCRSA-N 2 1 262.397 2.021 20 0 CEADMP CC(C)[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+](C)C ZINC000350122364 369511213 /nfs/dbraw/zinc/51/12/13/369511213.db2.gz IVLMOGIHSISRLB-MRXNPFEDSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358259153 370977881 /nfs/dbraw/zinc/97/78/81/370977881.db2.gz UNSAJKXOMKZTLH-DLBZAZTESA-N 2 1 276.424 2.430 20 0 CEADMP CC(C)C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358259153 370977885 /nfs/dbraw/zinc/97/78/85/370977885.db2.gz UNSAJKXOMKZTLH-DLBZAZTESA-N 2 1 276.424 2.430 20 0 CEADMP CSc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358260601 370978986 /nfs/dbraw/zinc/97/89/86/370978986.db2.gz VGCVIHIZMUMFPK-SWLSCSKDSA-N 2 1 280.437 2.126 20 0 CEADMP CSc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358260601 370978991 /nfs/dbraw/zinc/97/89/91/370978991.db2.gz VGCVIHIZMUMFPK-SWLSCSKDSA-N 2 1 280.437 2.126 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccn(C(F)F)c2=O)CC1 ZINC000639103945 370980444 /nfs/dbraw/zinc/98/04/44/370980444.db2.gz NFNWSWLRXGEDAV-CYBMUJFWSA-N 2 1 299.365 2.160 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccn(C(F)F)c2=O)CC1 ZINC000639103945 370980446 /nfs/dbraw/zinc/98/04/46/370980446.db2.gz NFNWSWLRXGEDAV-CYBMUJFWSA-N 2 1 299.365 2.160 20 0 CEADMP O=C(N[C@H]1CCC[N@H+](C2CCCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000371264086 284171012 /nfs/dbraw/zinc/17/10/12/284171012.db2.gz IBOAVVUSISVOEA-GOEBONIOSA-N 2 1 293.455 2.042 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]1C1CCCCC1)C1CC1 ZINC000351391083 369634944 /nfs/dbraw/zinc/63/49/44/369634944.db2.gz WHSPYMLDUJEQIU-IRXDYDNUSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1C1CCCCC1)C1CC1 ZINC000351391083 369634948 /nfs/dbraw/zinc/63/49/48/369634948.db2.gz WHSPYMLDUJEQIU-IRXDYDNUSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1C1CCCCC1)C1CC1 ZINC000351391083 369634949 /nfs/dbraw/zinc/63/49/49/369634949.db2.gz WHSPYMLDUJEQIU-IRXDYDNUSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1C1CCCCC1)C1CC1 ZINC000351391083 369634952 /nfs/dbraw/zinc/63/49/52/369634952.db2.gz WHSPYMLDUJEQIU-IRXDYDNUSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH+](CC1CC1)C1CCCCC1)C1CC1 ZINC000351494160 369637089 /nfs/dbraw/zinc/63/70/89/369637089.db2.gz NOHDVCDNTUITNT-QGZVFWFLSA-N 2 1 280.456 2.486 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH+](CC1CC1)C1CCCCC1)C1CC1 ZINC000351494160 369637093 /nfs/dbraw/zinc/63/70/93/369637093.db2.gz NOHDVCDNTUITNT-QGZVFWFLSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](CC1CC1)C1CCCCC1)C1CC1 ZINC000351494160 369637097 /nfs/dbraw/zinc/63/70/97/369637097.db2.gz NOHDVCDNTUITNT-QGZVFWFLSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](CC1CC1)C1CCCCC1)C1CC1 ZINC000351494160 369637102 /nfs/dbraw/zinc/63/71/02/369637102.db2.gz NOHDVCDNTUITNT-QGZVFWFLSA-N 2 1 280.456 2.486 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000191823152 369746423 /nfs/dbraw/zinc/74/64/23/369746423.db2.gz RZJVCNBSXWUWFH-GJZGRUSLSA-N 2 1 256.434 2.201 20 0 CEADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352510446 369765981 /nfs/dbraw/zinc/76/59/81/369765981.db2.gz NDKVXSOCFKBOKW-PMPSAXMXSA-N 2 1 295.471 2.227 20 0 CEADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352510446 369765987 /nfs/dbraw/zinc/76/59/87/369765987.db2.gz NDKVXSOCFKBOKW-PMPSAXMXSA-N 2 1 295.471 2.227 20 0 CEADMP COC(=O)C1CCC([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000192441820 369813535 /nfs/dbraw/zinc/81/35/35/369813535.db2.gz ZAFDGDXKPBOZGL-LRVUVFPRSA-N 2 1 293.411 2.149 20 0 CEADMP c1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC000352535039 369776023 /nfs/dbraw/zinc/77/60/23/369776023.db2.gz LQISFWIVJRGVTO-QGZVFWFLSA-N 2 1 272.392 2.197 20 0 CEADMP c1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC000352535039 369776027 /nfs/dbraw/zinc/77/60/27/369776027.db2.gz LQISFWIVJRGVTO-QGZVFWFLSA-N 2 1 272.392 2.197 20 0 CEADMP Cc1cccn2c(C[N@@H+]3CCCC[C@@H]3CC[NH3+])cnc12 ZINC000352540381 369778805 /nfs/dbraw/zinc/77/88/05/369778805.db2.gz KKLRNDWNCGUCNN-CQSZACIVSA-N 2 1 272.396 2.346 20 0 CEADMP Cc1cccn2c(C[N@H+]3CCCC[C@@H]3CC[NH3+])cnc12 ZINC000352540381 369778806 /nfs/dbraw/zinc/77/88/06/369778806.db2.gz KKLRNDWNCGUCNN-CQSZACIVSA-N 2 1 272.396 2.346 20 0 CEADMP Cc1cnn(C)c1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000352730558 369859553 /nfs/dbraw/zinc/85/95/53/369859553.db2.gz FEZKYGPMFMVGCS-CABCVRRESA-N 2 1 290.455 2.471 20 0 CEADMP Cc1cnn(C)c1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000352730558 369859555 /nfs/dbraw/zinc/85/95/55/369859555.db2.gz FEZKYGPMFMVGCS-CABCVRRESA-N 2 1 290.455 2.471 20 0 CEADMP COC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000287295025 376199051 /nfs/dbraw/zinc/19/90/51/376199051.db2.gz DJTXUTHHXUEFCR-JSGCOSHPSA-N 2 1 291.395 2.437 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1n[nH]cc1C ZINC000352843607 369909187 /nfs/dbraw/zinc/90/91/87/369909187.db2.gz ZZHNYYJOKPHAGR-CYBMUJFWSA-N 2 1 252.406 2.318 20 0 CEADMP CCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000352813081 369890699 /nfs/dbraw/zinc/89/06/99/369890699.db2.gz JHIPFGDBLHIOOG-HOTGVXAUSA-N 2 1 259.397 2.360 20 0 CEADMP CCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000352813081 369890705 /nfs/dbraw/zinc/89/07/05/369890705.db2.gz JHIPFGDBLHIOOG-HOTGVXAUSA-N 2 1 259.397 2.360 20 0 CEADMP C[C@@H]([NH2+]Cc1ccnc(N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000193549489 369953556 /nfs/dbraw/zinc/95/35/56/369953556.db2.gz YORMCVIQIUUCIN-HIFRSBDPSA-N 2 1 288.439 2.406 20 0 CEADMP C1CC1[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000193954006 369995144 /nfs/dbraw/zinc/99/51/44/369995144.db2.gz XSDDVJGCTHCRRV-BZUAXINKSA-N 2 1 276.424 2.160 20 0 CEADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)N(CC)CC ZINC000353997234 370169693 /nfs/dbraw/zinc/16/96/93/370169693.db2.gz QWXAHDIBNVNEGH-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)N(CC)CC ZINC000353997234 370169698 /nfs/dbraw/zinc/16/96/98/370169698.db2.gz QWXAHDIBNVNEGH-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC[C@H](C)[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)OC ZINC000637930252 370179448 /nfs/dbraw/zinc/17/94/48/370179448.db2.gz LPRDQQJHTCYNEE-SOUVJXGZSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@H](C)[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)OC ZINC000637930252 370179453 /nfs/dbraw/zinc/17/94/53/370179453.db2.gz LPRDQQJHTCYNEE-SOUVJXGZSA-N 2 1 256.434 2.321 20 0 CEADMP CC[C@H](C)[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)OC ZINC000637930252 370179457 /nfs/dbraw/zinc/17/94/57/370179457.db2.gz LPRDQQJHTCYNEE-SOUVJXGZSA-N 2 1 256.434 2.321 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000353917060 370134911 /nfs/dbraw/zinc/13/49/11/370134911.db2.gz QUUNKTLOUCCBDL-CBBWQLFWSA-N 2 1 284.444 2.284 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000354090521 370213940 /nfs/dbraw/zinc/21/39/40/370213940.db2.gz BYZUPINILUCLIK-GASCZTMLSA-N 2 1 295.471 2.097 20 0 CEADMP COCCc1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000638028681 370252851 /nfs/dbraw/zinc/25/28/51/370252851.db2.gz HJCRFFMRZQBFAF-UHFFFAOYSA-N 2 1 297.468 2.106 20 0 CEADMP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C)C(C)C ZINC000354145266 370232645 /nfs/dbraw/zinc/23/26/45/370232645.db2.gz AEJLWBPVKWTWLD-QLFBSQMISA-N 2 1 284.444 2.284 20 0 CEADMP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C)C(C)C ZINC000354145266 370232651 /nfs/dbraw/zinc/23/26/51/370232651.db2.gz AEJLWBPVKWTWLD-QLFBSQMISA-N 2 1 284.444 2.284 20 0 CEADMP C[C@@H](CC[NH3+])[NH2+]Cc1ccccc1Br ZINC000220529968 370233550 /nfs/dbraw/zinc/23/35/50/370233550.db2.gz SMQAPOVYUBTZKZ-VIFPVBQESA-N 2 1 257.175 2.276 20 0 CEADMP Cc1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000220956941 370234927 /nfs/dbraw/zinc/23/49/27/370234927.db2.gz QJEYPZSJMKBPAO-RCCFBDPRSA-N 2 1 288.435 2.445 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000220956941 370234935 /nfs/dbraw/zinc/23/49/35/370234935.db2.gz QJEYPZSJMKBPAO-RCCFBDPRSA-N 2 1 288.435 2.445 20 0 CEADMP COc1cc(C[NH2+]CCC[N@H+](C)C(C)C)cc2c1OCO2 ZINC000221788857 370245882 /nfs/dbraw/zinc/24/58/82/370245882.db2.gz PTOOMIXGJSQVIS-UHFFFAOYSA-N 2 1 294.395 2.244 20 0 CEADMP COc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)cc2c1OCO2 ZINC000221788857 370245885 /nfs/dbraw/zinc/24/58/85/370245885.db2.gz PTOOMIXGJSQVIS-UHFFFAOYSA-N 2 1 294.395 2.244 20 0 CEADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCC(C)CC2)C[C@H]1C ZINC000354221547 370267794 /nfs/dbraw/zinc/26/77/94/370267794.db2.gz HCQAUQIOAVJLKU-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000638051392 370268458 /nfs/dbraw/zinc/26/84/58/370268458.db2.gz HCJBNJDMWVYHIL-FZMZJTMJSA-N 2 1 297.830 2.057 20 0 CEADMP CC(C)C1(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000638056298 370272001 /nfs/dbraw/zinc/27/20/01/370272001.db2.gz KWOXDWLPNYRYGJ-MRXNPFEDSA-N 2 1 279.472 2.134 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638076395 370282736 /nfs/dbraw/zinc/28/27/36/370282736.db2.gz JVLCYRUJNTWNOH-SJORKVTESA-N 2 1 287.451 2.396 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000354335236 370322121 /nfs/dbraw/zinc/32/21/21/370322121.db2.gz QUXBWSXXAGHBOK-ULQDDVLXSA-N 2 1 298.471 2.018 20 0 CEADMP c1ccc(N2CC[C@@H](C[N@@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)C2)cc1 ZINC000638089727 370290744 /nfs/dbraw/zinc/29/07/44/370290744.db2.gz RLKVYJMIPCLCMW-XYJFISCASA-N 2 1 285.435 2.197 20 0 CEADMP c1ccc(N2CC[C@@H](C[N@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)C2)cc1 ZINC000638089727 370290746 /nfs/dbraw/zinc/29/07/46/370290746.db2.gz RLKVYJMIPCLCMW-XYJFISCASA-N 2 1 285.435 2.197 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC[C@@H]2CCO2)[C@@H](C)C1 ZINC000638114710 370310413 /nfs/dbraw/zinc/31/04/13/370310413.db2.gz XTPKWJFWBJIDHY-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1C[C@@H](N(C)Cc2cccc(F)c2N)CC[N@H+]1C ZINC000638117063 370313107 /nfs/dbraw/zinc/31/31/07/370313107.db2.gz OFADTYSZBYIIKT-AAEUAGOBSA-N 2 1 265.376 2.322 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1oc(C[NH3+])cc1C ZINC000638117828 370314786 /nfs/dbraw/zinc/31/47/86/370314786.db2.gz YBECPBKKEQGSNF-CYBMUJFWSA-N 2 1 293.411 2.041 20 0 CEADMP Cc1ncsc1CC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000226928563 370353275 /nfs/dbraw/zinc/35/32/75/370353275.db2.gz LSCOBCHXSPLZAH-JQWIXIFHSA-N 2 1 253.415 2.053 20 0 CEADMP Cc1c(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cnn1C ZINC000226310437 370334627 /nfs/dbraw/zinc/33/46/27/370334627.db2.gz CETMAANTHZXFKX-SWLSCSKDSA-N 2 1 264.417 2.129 20 0 CEADMP Cc1ccc(C)c(OCC[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000228081778 370396078 /nfs/dbraw/zinc/39/60/78/370396078.db2.gz KBEASAFBLLJDER-CABCVRRESA-N 2 1 262.397 2.351 20 0 CEADMP CC(C)C[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000354648245 370451749 /nfs/dbraw/zinc/45/17/49/370451749.db2.gz MMNJGBDUJQVEIB-ROUUACIJSA-N 2 1 290.451 2.473 20 0 CEADMP CC(C)C[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000354648245 370451753 /nfs/dbraw/zinc/45/17/53/370451753.db2.gz MMNJGBDUJQVEIB-ROUUACIJSA-N 2 1 290.451 2.473 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CS[C@H](C)C1 ZINC000638335342 370453380 /nfs/dbraw/zinc/45/33/80/370453380.db2.gz MOZQZNZZLHHWMA-NQBHXWOUSA-N 2 1 253.415 2.311 20 0 CEADMP Cc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)sn1 ZINC000638334967 370453454 /nfs/dbraw/zinc/45/34/54/370453454.db2.gz FUFTXOMEQSFNLK-SNVBAGLBSA-N 2 1 264.398 2.382 20 0 CEADMP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCCNC(=O)C1)CC(C)C ZINC000638351782 370462075 /nfs/dbraw/zinc/46/20/75/370462075.db2.gz GHWWDWILRTXHPN-LSDHHAIUSA-N 2 1 283.460 2.001 20 0 CEADMP CC[C@H](C[NH2+]CCC1CCOCC1)[NH+]1CCCC1 ZINC000638353962 370464563 /nfs/dbraw/zinc/46/45/63/370464563.db2.gz FWKUFNZICALZMT-OAHLLOKOSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@H](C[NH2+]Cc1cncc(F)c1)C[NH+]1CCCC1 ZINC000230938922 370470937 /nfs/dbraw/zinc/47/09/37/370470937.db2.gz DDDLEEJPTZFLBL-GFCCVEGCSA-N 2 1 251.349 2.042 20 0 CEADMP Cc1nnsc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000638366574 370475055 /nfs/dbraw/zinc/47/50/55/370475055.db2.gz OQDYNVUZNHIDML-GFCCVEGCSA-N 2 1 282.457 2.448 20 0 CEADMP Cn1cc(CCC[NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)cn1 ZINC000638375388 370483222 /nfs/dbraw/zinc/48/32/22/370483222.db2.gz ZWWRCTCJDDDSAW-KRWDZBQOSA-N 2 1 292.471 2.453 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C2CC2)no1 ZINC000638387443 370492282 /nfs/dbraw/zinc/49/22/82/370492282.db2.gz UJWKGICKIUCYGU-UHFFFAOYSA-N 2 1 260.341 2.237 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccnc(OC)c2)C1 ZINC000638451769 370541323 /nfs/dbraw/zinc/54/13/23/370541323.db2.gz QIRADCQIUOFEGA-HOCLYGCPSA-N 2 1 291.439 2.343 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000638464208 370549976 /nfs/dbraw/zinc/54/99/76/370549976.db2.gz YVXBSNLMPJTXFR-INIZCTEOSA-N 2 1 284.407 2.308 20 0 CEADMP CC[C@](C)(C[NH2+]CC1([NH+]2CCCC2)CCOCC1)OC ZINC000638556353 370604860 /nfs/dbraw/zinc/60/48/60/370604860.db2.gz KCWANZOQCLXEQI-OAHLLOKOSA-N 2 1 284.444 2.036 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000638579851 370617990 /nfs/dbraw/zinc/61/79/90/370617990.db2.gz XFKVPIMERNDWPN-WCVJEAGWSA-N 2 1 295.471 2.286 20 0 CEADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000638579851 370617993 /nfs/dbraw/zinc/61/79/93/370617993.db2.gz XFKVPIMERNDWPN-WCVJEAGWSA-N 2 1 295.471 2.286 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccccc2)[C@@H](C)C1 ZINC000247030208 371050315 /nfs/dbraw/zinc/05/03/15/371050315.db2.gz MTXDBWJFMDQPON-JQHSSLGASA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cc2ccccc2)[C@@H](C)C1 ZINC000247030208 371050320 /nfs/dbraw/zinc/05/03/20/371050320.db2.gz MTXDBWJFMDQPON-JQHSSLGASA-N 2 1 290.451 2.252 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cc2ccccc2)[C@@H](C)C1 ZINC000247030208 371050324 /nfs/dbraw/zinc/05/03/24/371050324.db2.gz MTXDBWJFMDQPON-JQHSSLGASA-N 2 1 290.451 2.252 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000639176233 371050905 /nfs/dbraw/zinc/05/09/05/371050905.db2.gz DFWSZSREMUITNM-JKSUJKDBSA-N 2 1 266.429 2.075 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCNc2ccc3ccccc3n2)CC[N@H+]1C ZINC000358406182 371052033 /nfs/dbraw/zinc/05/20/33/371052033.db2.gz SDTSCVICSVHZLD-GOEBONIOSA-N 2 1 298.434 2.141 20 0 CEADMP CCC[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC000639162112 371036570 /nfs/dbraw/zinc/03/65/70/371036570.db2.gz KXLMXIRPQWKWIU-IXXDHKBRSA-N 2 1 254.418 2.359 20 0 CEADMP CCC[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000639162112 371036576 /nfs/dbraw/zinc/03/65/76/371036576.db2.gz KXLMXIRPQWKWIU-IXXDHKBRSA-N 2 1 254.418 2.359 20 0 CEADMP CCC[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000639162112 371036578 /nfs/dbraw/zinc/03/65/78/371036578.db2.gz KXLMXIRPQWKWIU-IXXDHKBRSA-N 2 1 254.418 2.359 20 0 CEADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358384244 371042461 /nfs/dbraw/zinc/04/24/61/371042461.db2.gz PQGFTOYSPWUNFL-FZKCQIBNSA-N 2 1 268.445 2.367 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000247000357 371043492 /nfs/dbraw/zinc/04/34/92/371043492.db2.gz KREYNUWQVNAQTB-HIFRSBDPSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000247000357 371043495 /nfs/dbraw/zinc/04/34/95/371043495.db2.gz KREYNUWQVNAQTB-HIFRSBDPSA-N 2 1 276.428 2.119 20 0 CEADMP CC(=O)Nc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000639180265 371060742 /nfs/dbraw/zinc/06/07/42/371060742.db2.gz WBRTZCZMLOFKHF-SUMWQHHRSA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000639180265 371060747 /nfs/dbraw/zinc/06/07/47/371060747.db2.gz WBRTZCZMLOFKHF-SUMWQHHRSA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000639180265 371060751 /nfs/dbraw/zinc/06/07/51/371060751.db2.gz WBRTZCZMLOFKHF-SUMWQHHRSA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000639180265 371060756 /nfs/dbraw/zinc/06/07/56/371060756.db2.gz WBRTZCZMLOFKHF-SUMWQHHRSA-N 2 1 289.423 2.417 20 0 CEADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000247124632 371068154 /nfs/dbraw/zinc/06/81/54/371068154.db2.gz RJPGLWJSENSOBK-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247124632 371068159 /nfs/dbraw/zinc/06/81/59/371068159.db2.gz RJPGLWJSENSOBK-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247124632 371068160 /nfs/dbraw/zinc/06/81/60/371068160.db2.gz RJPGLWJSENSOBK-QKPAOTATSA-N 2 1 267.461 2.179 20 0 CEADMP CO[C@@](C)(C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C1CC1 ZINC000639207328 371095701 /nfs/dbraw/zinc/09/57/01/371095701.db2.gz GYBHUALTTZHNOO-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@@](C)(C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)C1CC1 ZINC000639207328 371095707 /nfs/dbraw/zinc/09/57/07/371095707.db2.gz GYBHUALTTZHNOO-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@@](C)(C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)C1CC1 ZINC000639207328 371095711 /nfs/dbraw/zinc/09/57/11/371095711.db2.gz GYBHUALTTZHNOO-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358507018 371096824 /nfs/dbraw/zinc/09/68/24/371096824.db2.gz MNYMMADFNNDGEI-LLVKDONJSA-N 2 1 276.384 2.084 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)CC[N@@H+]1C ZINC000639232080 371125363 /nfs/dbraw/zinc/12/53/63/371125363.db2.gz ABENXUNNTZMWPE-MWQQHZPXSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)CC[N@H+]1C ZINC000639232080 371125374 /nfs/dbraw/zinc/12/53/74/371125374.db2.gz ABENXUNNTZMWPE-MWQQHZPXSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000358647572 371153715 /nfs/dbraw/zinc/15/37/15/371153715.db2.gz HRCHSUUOTWYFGL-SNPRPXQTSA-N 2 1 298.377 2.255 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000358647572 371153718 /nfs/dbraw/zinc/15/37/18/371153718.db2.gz HRCHSUUOTWYFGL-SNPRPXQTSA-N 2 1 298.377 2.255 20 0 CEADMP FC(F)C(F)(F)COCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000683693682 541844254 /nfs/dbraw/zinc/84/42/54/541844254.db2.gz AZHPQVMZABNIBH-QWRGUYRKSA-N 2 1 298.324 2.120 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(O)ccc3C2)CC1 ZINC000683723608 541848664 /nfs/dbraw/zinc/84/86/64/541848664.db2.gz UMSTWRIMWLTLEU-MRXNPFEDSA-N 2 1 274.408 2.323 20 0 CEADMP CC(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248437909 371195567 /nfs/dbraw/zinc/19/55/67/371195567.db2.gz HKTLSCSZEDEIPA-RHSMWYFYSA-N 2 1 276.424 2.387 20 0 CEADMP CC(C)(C)[N@@H+]1CC[C@H]1CNCc1cccc(F)c1N ZINC000639302218 371206498 /nfs/dbraw/zinc/20/64/98/371206498.db2.gz DZQHUVAOPTZFJZ-LBPRGKRZSA-N 2 1 265.376 2.370 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1CNCc1cccc(F)c1N ZINC000639302218 371206504 /nfs/dbraw/zinc/20/65/04/371206504.db2.gz DZQHUVAOPTZFJZ-LBPRGKRZSA-N 2 1 265.376 2.370 20 0 CEADMP C(CO[C@@H]1CCCCO1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000358833671 371240085 /nfs/dbraw/zinc/24/00/85/371240085.db2.gz RTMDHGQEGMRYLK-DLBZAZTESA-N 2 1 296.455 2.337 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(CC)(CC)C(=O)OC)[C@H](C)C1 ZINC000248881292 371262679 /nfs/dbraw/zinc/26/26/79/371262679.db2.gz ONPNTBNXUIBVFX-KGLIPLIRSA-N 2 1 284.444 2.286 20 0 CEADMP CCOC(=O)c1cnccc1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000358919137 371266237 /nfs/dbraw/zinc/26/62/37/371266237.db2.gz ZLAFWWWVGWVIMJ-HNNXBMFYSA-N 2 1 291.395 2.035 20 0 CEADMP C[C@@H]1CCC[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639502957 371367991 /nfs/dbraw/zinc/36/79/91/371367991.db2.gz HXNQCPVSNMNMIX-WBVHZDCISA-N 2 1 274.408 2.108 20 0 CEADMP C[C@@H]1CCC[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639502957 371367994 /nfs/dbraw/zinc/36/79/94/371367994.db2.gz HXNQCPVSNMNMIX-WBVHZDCISA-N 2 1 274.408 2.108 20 0 CEADMP C[C@@H]1CCC[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639502957 371367998 /nfs/dbraw/zinc/36/79/98/371367998.db2.gz HXNQCPVSNMNMIX-WBVHZDCISA-N 2 1 274.408 2.108 20 0 CEADMP C[C@@H]1CCC[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639502957 371368000 /nfs/dbraw/zinc/36/80/00/371368000.db2.gz HXNQCPVSNMNMIX-WBVHZDCISA-N 2 1 274.408 2.108 20 0 CEADMP O=c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc[nH]1 ZINC000639498228 371364209 /nfs/dbraw/zinc/36/42/09/371364209.db2.gz RAWTTZGHUDTWCA-HNNXBMFYSA-N 2 1 275.396 2.095 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000250498355 371385732 /nfs/dbraw/zinc/38/57/32/371385732.db2.gz JYESITPEYQATNY-KGLIPLIRSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250888525 371393474 /nfs/dbraw/zinc/39/34/74/371393474.db2.gz JZDPCZPEFUWJDK-YUTCNCBUSA-N 2 1 262.401 2.006 20 0 CEADMP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250888525 371393478 /nfs/dbraw/zinc/39/34/78/371393478.db2.gz JZDPCZPEFUWJDK-YUTCNCBUSA-N 2 1 262.401 2.006 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353288953 220012030 /nfs/dbraw/zinc/01/20/30/220012030.db2.gz SVNAYDGZBZLHRG-NSHDSACASA-N 2 1 269.352 2.419 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](CC(C)=O)CC1)CC1CC1 ZINC000639558764 371405816 /nfs/dbraw/zinc/40/58/16/371405816.db2.gz IVMGVUULUPNGKF-UHFFFAOYSA-N 2 1 266.429 2.409 20 0 CEADMP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000251600487 371409039 /nfs/dbraw/zinc/40/90/39/371409039.db2.gz ZETQWTABJLSBDO-ZBFHGGJFSA-N 2 1 289.423 2.067 20 0 CEADMP C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000251600487 371409048 /nfs/dbraw/zinc/40/90/48/371409048.db2.gz ZETQWTABJLSBDO-ZBFHGGJFSA-N 2 1 289.423 2.067 20 0 CEADMP CC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000639567463 371410791 /nfs/dbraw/zinc/41/07/91/371410791.db2.gz QDRGHCLBKVGZIL-LBPRGKRZSA-N 2 1 257.337 2.420 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC000359294394 371415905 /nfs/dbraw/zinc/41/59/05/371415905.db2.gz UKZPDTGGBQIGTI-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC000359294394 371415907 /nfs/dbraw/zinc/41/59/07/371415907.db2.gz UKZPDTGGBQIGTI-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC000359294394 371415914 /nfs/dbraw/zinc/41/59/14/371415914.db2.gz UKZPDTGGBQIGTI-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP C[C@@H]1OCC[C@H]1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000639506948 371369169 /nfs/dbraw/zinc/36/91/69/371369169.db2.gz DVZIQWDPPLWABF-IMJJTQAJSA-N 2 1 266.429 2.075 20 0 CEADMP C[C@@H]1OCC[C@H]1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000639506948 371369174 /nfs/dbraw/zinc/36/91/74/371369174.db2.gz DVZIQWDPPLWABF-IMJJTQAJSA-N 2 1 266.429 2.075 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCC2CC[NH2+]CC2)CC1 ZINC000359212197 371376686 /nfs/dbraw/zinc/37/66/86/371376686.db2.gz GDNKLZOCRKUQBG-UHFFFAOYSA-N 3 1 267.461 2.182 20 0 CEADMP CCCN1CCC([N@H+](C)CCC2CC[NH2+]CC2)CC1 ZINC000359212197 371376690 /nfs/dbraw/zinc/37/66/90/371376690.db2.gz GDNKLZOCRKUQBG-UHFFFAOYSA-N 2 1 267.461 2.182 20 0 CEADMP CCCN1CCC([N@@H+](C)CCC2CC[NH2+]CC2)CC1 ZINC000359212197 371376698 /nfs/dbraw/zinc/37/66/98/371376698.db2.gz GDNKLZOCRKUQBG-UHFFFAOYSA-N 2 1 267.461 2.182 20 0 CEADMP COc1ccc([C@@H](CO)[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC000359221942 371383054 /nfs/dbraw/zinc/38/30/54/371383054.db2.gz OUSBOMJVVREWQM-QGZVFWFLSA-N 2 1 292.423 2.050 20 0 CEADMP Cc1ccc2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cn2c1 ZINC000252851196 371482987 /nfs/dbraw/zinc/48/29/87/371482987.db2.gz HYSVXCMYFQASDN-BPUTZDHNSA-N 2 1 284.407 2.202 20 0 CEADMP Cc1ccc2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cn2c1 ZINC000252851196 371482992 /nfs/dbraw/zinc/48/29/92/371482992.db2.gz HYSVXCMYFQASDN-BPUTZDHNSA-N 2 1 284.407 2.202 20 0 CEADMP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)[NH+](CC)CC ZINC000359889556 371492300 /nfs/dbraw/zinc/49/23/00/371492300.db2.gz JXEJUYQFXMGZMQ-XHSDSOJGSA-N 2 1 297.487 2.296 20 0 CEADMP CCCCOCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703352 371470774 /nfs/dbraw/zinc/47/07/74/371470774.db2.gz ZOIPMKAWNFRJGP-GJZGRUSLSA-N 2 1 254.418 2.410 20 0 CEADMP CC[C@H](C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[NH+](CC)CC ZINC000359665769 371476699 /nfs/dbraw/zinc/47/66/99/371476699.db2.gz XRBRVKZZOSRRLU-OAGGEKHMSA-N 2 1 295.471 2.050 20 0 CEADMP [NH3+][C@@H]1C[C@H](NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000252760148 371476906 /nfs/dbraw/zinc/47/69/06/371476906.db2.gz CWNFOJLIUJHGGC-JLZZUVOBSA-N 2 1 271.408 2.205 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000360838959 371536884 /nfs/dbraw/zinc/53/68/84/371536884.db2.gz FMEDHTFYCAIKOB-CJNGLKHVSA-N 2 1 276.424 2.311 20 0 CEADMP Cc1cnccc1CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755111 371545343 /nfs/dbraw/zinc/54/53/43/371545343.db2.gz FYXNZAMCUCNPBI-UHFFFAOYSA-N 2 1 273.424 2.350 20 0 CEADMP CCn1cc(CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cn1 ZINC000639684198 371493771 /nfs/dbraw/zinc/49/37/71/371493771.db2.gz TXDDWLUYEZLLMY-UHFFFAOYSA-N 2 1 299.422 2.053 20 0 CEADMP CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000360954218 371559459 /nfs/dbraw/zinc/55/94/59/371559459.db2.gz FTMVHUMXSTUKBD-HRCADAONSA-N 2 1 297.487 2.391 20 0 CEADMP Cc1ccccc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000360963377 371564335 /nfs/dbraw/zinc/56/43/35/371564335.db2.gz XFWHSPZYQFOXNE-SFHVURJKSA-N 2 1 287.451 2.207 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2c3c(nn2C)CCCC3)[C@@H](C)C1 ZINC000361005305 371592977 /nfs/dbraw/zinc/59/29/77/371592977.db2.gz URQSLZRSIBHYLJ-DZGCQCFKSA-N 2 1 290.455 2.119 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c3c(nn2C)CCCC3)[C@@H](C)C1 ZINC000361005305 371592981 /nfs/dbraw/zinc/59/29/81/371592981.db2.gz URQSLZRSIBHYLJ-DZGCQCFKSA-N 2 1 290.455 2.119 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c3c(nn2C)CCCC3)[C@@H](C)C1 ZINC000361005305 371592984 /nfs/dbraw/zinc/59/29/84/371592984.db2.gz URQSLZRSIBHYLJ-DZGCQCFKSA-N 2 1 290.455 2.119 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cnn(C)c1 ZINC000261588170 371665046 /nfs/dbraw/zinc/66/50/46/371665046.db2.gz KATUGXZPJCAENI-NFAWXSAZSA-N 2 1 264.417 2.382 20 0 CEADMP Clc1cccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261591908 371666536 /nfs/dbraw/zinc/66/65/36/371666536.db2.gz MEGPLLWIGORGHE-CHWSQXEVSA-N 2 1 280.799 2.260 20 0 CEADMP Clc1cccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261591908 371666545 /nfs/dbraw/zinc/66/65/45/371666545.db2.gz MEGPLLWIGORGHE-CHWSQXEVSA-N 2 1 280.799 2.260 20 0 CEADMP CCOc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261599302 371671270 /nfs/dbraw/zinc/67/12/70/371671270.db2.gz PLUWKFKYIRRZSD-GJZGRUSLSA-N 2 1 260.381 2.127 20 0 CEADMP CCOc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261599302 371671278 /nfs/dbraw/zinc/67/12/78/371671278.db2.gz PLUWKFKYIRRZSD-GJZGRUSLSA-N 2 1 260.381 2.127 20 0 CEADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261607375 371674479 /nfs/dbraw/zinc/67/44/79/371674479.db2.gz DERRJFWKBMGPSS-TZMCWYRMSA-N 2 1 295.377 2.005 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000258979251 371621040 /nfs/dbraw/zinc/62/10/40/371621040.db2.gz LWZOQIGJBRVSBF-VXGBXAGGSA-N 2 1 269.186 2.419 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261546690 371641963 /nfs/dbraw/zinc/64/19/63/371641963.db2.gz LFPZLQJKFIOPBX-QAPCUYQASA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000261570180 371654419 /nfs/dbraw/zinc/65/44/19/371654419.db2.gz OBSVTKJQMKLIKK-QLFBSQMISA-N 2 1 267.461 2.370 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000261570180 371654433 /nfs/dbraw/zinc/65/44/33/371654433.db2.gz OBSVTKJQMKLIKK-QLFBSQMISA-N 2 1 267.461 2.370 20 0 CEADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000261573612 371655993 /nfs/dbraw/zinc/65/59/93/371655993.db2.gz VTJUMMZECZIAIB-PBHICJAKSA-N 2 1 258.409 2.475 20 0 CEADMP Clc1cccc(OCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261578306 371658706 /nfs/dbraw/zinc/65/87/06/371658706.db2.gz DCHPUSGXXUUQDT-HNNXBMFYSA-N 2 1 280.799 2.404 20 0 CEADMP Clc1cccc(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261578306 371658716 /nfs/dbraw/zinc/65/87/16/371658716.db2.gz DCHPUSGXXUUQDT-HNNXBMFYSA-N 2 1 280.799 2.404 20 0 CEADMP CC(C)([NH3+])CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000261810042 371739336 /nfs/dbraw/zinc/73/93/36/371739336.db2.gz PSUFLWCLNVBWIO-CYBMUJFWSA-N 3 1 276.428 2.136 20 0 CEADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H]1CCOC1 ZINC000361229059 371726506 /nfs/dbraw/zinc/72/65/06/371726506.db2.gz PLWFZCGUODQVDJ-MRXNPFEDSA-N 2 1 286.379 2.187 20 0 CEADMP C[C@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]C[C@H](O)C[NH+](C)C ZINC000361231276 371728191 /nfs/dbraw/zinc/72/81/91/371728191.db2.gz HWVJDDRZARZIGT-JRHYKELJSA-N 2 1 294.483 2.494 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000261780298 371730123 /nfs/dbraw/zinc/73/01/23/371730123.db2.gz FJPZDEUHCXMTQN-HIFRSBDPSA-N 2 1 276.428 2.095 20 0 CEADMP COCC[C@@H]1CCCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261831680 371745970 /nfs/dbraw/zinc/74/59/70/371745970.db2.gz JEEAUNVQOJEJFQ-LSDHHAIUSA-N 2 1 254.418 2.125 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000261835891 371747972 /nfs/dbraw/zinc/74/79/72/371747972.db2.gz ZHMQDYOETKCZSK-MRXNPFEDSA-N 2 1 288.370 2.182 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000261835891 371747981 /nfs/dbraw/zinc/74/79/81/371747981.db2.gz ZHMQDYOETKCZSK-MRXNPFEDSA-N 2 1 288.370 2.182 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261924884 371771768 /nfs/dbraw/zinc/77/17/68/371771768.db2.gz ZAWSDQYXBPYKQV-INIZCTEOSA-N 2 1 278.444 2.426 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261924884 371771778 /nfs/dbraw/zinc/77/17/78/371771778.db2.gz ZAWSDQYXBPYKQV-INIZCTEOSA-N 2 1 278.444 2.426 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000261939460 371780270 /nfs/dbraw/zinc/78/02/70/371780270.db2.gz MLYLXYBBQNPMJX-QWHCGFSZSA-N 2 1 250.361 2.471 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000261973737 371788242 /nfs/dbraw/zinc/78/82/42/371788242.db2.gz QPZHCICMIRJFLT-MRXNPFEDSA-N 2 1 270.380 2.043 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000261973737 371788245 /nfs/dbraw/zinc/78/82/45/371788245.db2.gz QPZHCICMIRJFLT-MRXNPFEDSA-N 2 1 270.380 2.043 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261986627 371790765 /nfs/dbraw/zinc/79/07/65/371790765.db2.gz JTWXVVQSYWBDBC-QGZVFWFLSA-N 2 1 274.408 2.443 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000261821143 371741590 /nfs/dbraw/zinc/74/15/90/371741590.db2.gz IHWHLOLFPJIRKX-LLVKDONJSA-N 2 1 265.426 2.452 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000261821143 371741599 /nfs/dbraw/zinc/74/15/99/371741599.db2.gz IHWHLOLFPJIRKX-LLVKDONJSA-N 2 1 265.426 2.452 20 0 CEADMP C[C@H]1COc2ccccc2C[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262041045 371808258 /nfs/dbraw/zinc/80/82/58/371808258.db2.gz PCQKCBYJNPNVAR-XJKSGUPXSA-N 2 1 260.381 2.269 20 0 CEADMP C[C@H]1COc2ccccc2C[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262041045 371808264 /nfs/dbraw/zinc/80/82/64/371808264.db2.gz PCQKCBYJNPNVAR-XJKSGUPXSA-N 2 1 260.381 2.269 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000640098617 371809784 /nfs/dbraw/zinc/80/97/84/371809784.db2.gz FOXMRECLXIBKIW-XHSDSOJGSA-N 2 1 268.445 2.344 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000262045421 371811156 /nfs/dbraw/zinc/81/11/56/371811156.db2.gz YXMKJLYQXXZLGC-OAHLLOKOSA-N 2 1 299.422 2.055 20 0 CEADMP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000262045421 371811163 /nfs/dbraw/zinc/81/11/63/371811163.db2.gz YXMKJLYQXXZLGC-OAHLLOKOSA-N 2 1 299.422 2.055 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC000361427982 371845156 /nfs/dbraw/zinc/84/51/56/371845156.db2.gz XCEGTUHPAOOYPV-OAHLLOKOSA-N 2 1 254.418 2.077 20 0 CEADMP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCCn2nccc21 ZINC000640216517 371873289 /nfs/dbraw/zinc/87/32/89/371873289.db2.gz BKZHEPMHMHHBDS-ZIAGYGMSSA-N 2 1 262.401 2.182 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCCn2nccc21 ZINC000640216517 371873294 /nfs/dbraw/zinc/87/32/94/371873294.db2.gz BKZHEPMHMHHBDS-ZIAGYGMSSA-N 2 1 262.401 2.182 20 0 CEADMP CCC1(CO)CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000344073949 217040565 /nfs/dbraw/zinc/04/05/65/217040565.db2.gz XRHOYDPDTMQOOG-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000361511254 371888811 /nfs/dbraw/zinc/88/88/11/371888811.db2.gz QAEPWACAGLFTKC-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361511254 371888817 /nfs/dbraw/zinc/88/88/17/371888817.db2.gz QAEPWACAGLFTKC-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361511254 371888826 /nfs/dbraw/zinc/88/88/26/371888826.db2.gz QAEPWACAGLFTKC-OAHLLOKOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1([NH3+])CCCCC1 ZINC000263265980 371932719 /nfs/dbraw/zinc/93/27/19/371932719.db2.gz NSEMZFMQWPLXHX-ZNMIVQPWSA-N 2 1 295.471 2.131 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000344123080 217061467 /nfs/dbraw/zinc/06/14/67/217061467.db2.gz IIUNLPWMNMWKMZ-KGLIPLIRSA-N 2 1 263.385 2.053 20 0 CEADMP CCC[N@@H+](CCC1CC1)CCN1CC[NH+](CC)CC1 ZINC000344128829 217064380 /nfs/dbraw/zinc/06/43/80/217064380.db2.gz LJYOPKSYMZFPRC-UHFFFAOYSA-N 2 1 267.461 2.136 20 0 CEADMP CCC[N@@H+](CCC(C)C)CCN1CC[NH+](CC)CC1 ZINC000344151642 217074382 /nfs/dbraw/zinc/07/43/82/217074382.db2.gz SXOPZUQNOQXNNB-UHFFFAOYSA-N 2 1 269.477 2.382 20 0 CEADMP Cc1cnn(CC[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640532038 372021820 /nfs/dbraw/zinc/02/18/20/372021820.db2.gz UAIOTNKZMBDOJI-UHFFFAOYSA-N 2 1 278.444 2.389 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccnc1N ZINC000640534199 372024564 /nfs/dbraw/zinc/02/45/64/372024564.db2.gz NNKBMUJVVLOQKS-UHFFFAOYSA-N 2 1 276.428 2.362 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361771476 372065132 /nfs/dbraw/zinc/06/51/32/372065132.db2.gz KVPWLXBKCLEHCO-XIRDDKMYSA-N 2 1 276.424 2.316 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361771476 372065138 /nfs/dbraw/zinc/06/51/38/372065138.db2.gz KVPWLXBKCLEHCO-XIRDDKMYSA-N 2 1 276.424 2.316 20 0 CEADMP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000361807350 372079210 /nfs/dbraw/zinc/07/92/10/372079210.db2.gz XFGKMRPXUXAFIE-ZIAGYGMSSA-N 2 1 256.434 2.105 20 0 CEADMP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000268751711 372207659 /nfs/dbraw/zinc/20/76/59/372207659.db2.gz VNYQCPQMUIYGFE-GJZGRUSLSA-N 2 1 292.423 2.032 20 0 CEADMP CCC[C@@]1(CO)CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000344278238 217130252 /nfs/dbraw/zinc/13/02/52/217130252.db2.gz FRCHFBKHKDNMBZ-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP CCC[C@@]1(CO)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000344278238 217130254 /nfs/dbraw/zinc/13/02/54/217130254.db2.gz FRCHFBKHKDNMBZ-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP CCC[C@@]1(CO)CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000344278238 217130256 /nfs/dbraw/zinc/13/02/56/217130256.db2.gz FRCHFBKHKDNMBZ-HZPDHXFCSA-N 2 1 268.445 2.345 20 0 CEADMP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000268808810 372234074 /nfs/dbraw/zinc/23/40/74/372234074.db2.gz DHUNESOFQGCYMF-WBVHZDCISA-N 2 1 276.424 2.411 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+](C)C ZINC000268729229 372197492 /nfs/dbraw/zinc/19/74/92/372197492.db2.gz SGBRMVQBKRFYSW-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000268933105 372292662 /nfs/dbraw/zinc/29/26/62/372292662.db2.gz TVILEAUTQDKCAE-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268844630 372251651 /nfs/dbraw/zinc/25/16/51/372251651.db2.gz OLJFTVMGKAHEOO-YQQAZPJKSA-N 2 1 276.424 2.115 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000268849974 372255260 /nfs/dbraw/zinc/25/52/60/372255260.db2.gz JXJZFXSBVWLAEM-NSHDSACASA-N 2 1 262.332 2.467 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000362180270 372258400 /nfs/dbraw/zinc/25/84/00/372258400.db2.gz PMXQPISEYPYPTF-CABCVRRESA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000362180270 372258407 /nfs/dbraw/zinc/25/84/07/372258407.db2.gz PMXQPISEYPYPTF-CABCVRRESA-N 2 1 263.385 2.225 20 0 CEADMP Cc1ccccc1[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268869763 372264689 /nfs/dbraw/zinc/26/46/89/372264689.db2.gz UWYWRQWJQDOWND-HNNXBMFYSA-N 2 1 276.424 2.492 20 0 CEADMP Cc1ncc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000344316947 217146171 /nfs/dbraw/zinc/14/61/71/217146171.db2.gz KJVVKKPOJGYZPI-AWEZNQCLSA-N 2 1 264.417 2.241 20 0 CEADMP C[NH+](C)CC1(C(=O)N2CC[N@@H+](C)CC2(C)C)CCCCC1 ZINC000683866252 541875003 /nfs/dbraw/zinc/87/50/03/541875003.db2.gz XATOLYJXLIJXJZ-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc2ccc(C)cn12 ZINC000269327936 372419983 /nfs/dbraw/zinc/41/99/83/372419983.db2.gz AQXMTQFQVVHEOG-UHFFFAOYSA-N 2 1 283.379 2.328 20 0 CEADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000269928233 372603176 /nfs/dbraw/zinc/60/31/76/372603176.db2.gz CIDREFXOHGQNLV-GUTXKFCHSA-N 2 1 280.437 2.172 20 0 CEADMP c1cc2c(nc[nH+]c2N2CCC(C[NH+]3CCCC3)CC2)[nH]1 ZINC000363094851 372626306 /nfs/dbraw/zinc/62/63/06/372626306.db2.gz MLYBFIFHRAAAHE-UHFFFAOYSA-N 2 1 285.395 2.270 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641714081 372649642 /nfs/dbraw/zinc/64/96/42/372649642.db2.gz XGTDFXWUKHRUCK-ZDUSSCGKSA-N 2 1 288.395 2.090 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cscn2)[C@H]2CCC[C@@H]21 ZINC000353390562 220057928 /nfs/dbraw/zinc/05/79/28/220057928.db2.gz ZQMLXMODTIUZKR-RDBSUJKOSA-N 2 1 265.426 2.148 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccccc2)C2CCC2)C1 ZINC000641780736 372723124 /nfs/dbraw/zinc/72/31/24/372723124.db2.gz MWAXQAYFXWCTIN-IRXDYDNUSA-N 2 1 274.408 2.184 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccccc2)C2CCC2)C1 ZINC000641780736 372723130 /nfs/dbraw/zinc/72/31/30/372723130.db2.gz MWAXQAYFXWCTIN-IRXDYDNUSA-N 2 1 274.408 2.184 20 0 CEADMP CC[C@H](C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)[NH+](CC)CC ZINC000344543143 217225285 /nfs/dbraw/zinc/22/52/85/217225285.db2.gz UGIZTZJBRVCNGI-OWCLPIDISA-N 2 1 297.487 2.343 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000270228718 372710117 /nfs/dbraw/zinc/71/01/17/372710117.db2.gz OCKXRYSNNRFAIF-UHFFFAOYSA-N 2 1 289.427 2.230 20 0 CEADMP CCc1ccc(C[NH2+][C@@H](CO)CC[NH+](CC)CC)s1 ZINC000641771566 372713721 /nfs/dbraw/zinc/71/37/21/372713721.db2.gz JCRTWPVUVZHTKG-CYBMUJFWSA-N 2 1 284.469 2.493 20 0 CEADMP CCc1cccc(C[NH2+][C@H](CO)CC[NH+](CC)CC)c1 ZINC000641770605 372714570 /nfs/dbraw/zinc/71/45/70/372714570.db2.gz XLKCWTHBSMYNDA-KRWDZBQOSA-N 2 1 278.440 2.431 20 0 CEADMP C[C@H]1CC2(C[N@H+]1Cc1ccns1)CC[NH2+]CC2 ZINC000641799060 372740391 /nfs/dbraw/zinc/74/03/91/372740391.db2.gz IWLCGTIMRKEVAJ-NSHDSACASA-N 2 1 251.399 2.107 20 0 CEADMP CCc1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000641799290 372740643 /nfs/dbraw/zinc/74/06/43/372740643.db2.gz SNUJDIWRFWNXBG-AVGNSLFASA-N 2 1 263.385 2.105 20 0 CEADMP Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641801452 372743767 /nfs/dbraw/zinc/74/37/67/372743767.db2.gz CFSXWLRGYHQXFM-AEGPPILISA-N 2 1 289.423 2.346 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c(F)c1 ZINC000641803069 372747337 /nfs/dbraw/zinc/74/73/37/372747337.db2.gz CVVDETIWMYXNMX-GDLCADMTSA-N 2 1 293.386 2.177 20 0 CEADMP CC(C)c1ccc(NC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641803410 372748611 /nfs/dbraw/zinc/74/86/11/372748611.db2.gz CMPUMPHBIAOKOC-HUUCEWRRSA-N 2 1 289.423 2.464 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1cccc(Cl)c1 ZINC000641807953 372753905 /nfs/dbraw/zinc/75/39/05/372753905.db2.gz WDCSBGWZXWRWHS-TVYUQYBPSA-N 2 1 295.814 2.382 20 0 CEADMP C[N@@H+](CCNC(=O)[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000353467798 220101393 /nfs/dbraw/zinc/10/13/93/220101393.db2.gz AGUGEQKIRRFYAA-MRXNPFEDSA-N 2 1 289.423 2.067 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000353492198 220115554 /nfs/dbraw/zinc/11/55/54/220115554.db2.gz UBIFZOWRHXWDDI-HRCADAONSA-N 2 1 269.477 2.427 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000353492198 220115556 /nfs/dbraw/zinc/11/55/56/220115556.db2.gz UBIFZOWRHXWDDI-HRCADAONSA-N 2 1 269.477 2.427 20 0 CEADMP CCC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000353492198 220115560 /nfs/dbraw/zinc/11/55/60/220115560.db2.gz UBIFZOWRHXWDDI-HRCADAONSA-N 2 1 269.477 2.427 20 0 CEADMP Cc1nc([C@H]2CCCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)no1 ZINC000643057195 372939222 /nfs/dbraw/zinc/93/92/22/372939222.db2.gz XXJWSIJVEHYOCS-ZIAGYGMSSA-N 2 1 278.400 2.295 20 0 CEADMP Cc1nc([C@H]2CCCC[N@H+]2CC[C@H]2CCC[NH2+]C2)no1 ZINC000643057195 372939225 /nfs/dbraw/zinc/93/92/25/372939225.db2.gz XXJWSIJVEHYOCS-ZIAGYGMSSA-N 2 1 278.400 2.295 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000643455743 373125290 /nfs/dbraw/zinc/12/52/90/373125290.db2.gz LKGXLTHBDWFPQD-MCIONIFRSA-N 2 1 276.380 2.076 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])ccc1OC(F)F ZINC000643457110 373127543 /nfs/dbraw/zinc/12/75/43/373127543.db2.gz VTRHFEZUKWTCQR-WDEREUQCSA-N 2 1 286.322 2.266 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1COc2c1cccc2Cl ZINC000643466901 373136570 /nfs/dbraw/zinc/13/65/70/373136570.db2.gz ZVCGPNHSGFRTDE-SBMIAAHKSA-N 2 1 254.761 2.489 20 0 CEADMP c1c[nH]c([C@H]2CCC[N@H+](Cc3cnn4ccccc34)C2)n1 ZINC000271138302 373139460 /nfs/dbraw/zinc/13/94/60/373139460.db2.gz VIMVIPZWRXCYGN-ZDUSSCGKSA-N 2 1 281.363 2.437 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)ncn1 ZINC000643476403 373142933 /nfs/dbraw/zinc/14/29/33/373142933.db2.gz XLQPGNWJMLICTN-ARFHVFGLSA-N 2 1 274.412 2.185 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])ccc1OC(F)F ZINC000643526204 373183197 /nfs/dbraw/zinc/18/31/97/373183197.db2.gz UKCADOCSNLTFOV-RKDXNWHRSA-N 2 1 274.311 2.294 20 0 CEADMP c1n[nH]cc1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000289668646 197440069 /nfs/dbraw/zinc/44/00/69/197440069.db2.gz HCJFTTDEDAPYJY-UHFFFAOYSA-N 2 1 298.434 2.249 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000272399237 373464983 /nfs/dbraw/zinc/46/49/83/373464983.db2.gz JRYIDKNAHYDSER-HIFRSBDPSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000272399237 373464992 /nfs/dbraw/zinc/46/49/92/373464992.db2.gz JRYIDKNAHYDSER-HIFRSBDPSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000272399237 373464999 /nfs/dbraw/zinc/46/49/99/373464999.db2.gz JRYIDKNAHYDSER-HIFRSBDPSA-N 2 1 290.407 2.317 20 0 CEADMP COc1c(O)cccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000272399237 373465005 /nfs/dbraw/zinc/46/50/05/373465005.db2.gz JRYIDKNAHYDSER-HIFRSBDPSA-N 2 1 290.407 2.317 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000644531480 373515556 /nfs/dbraw/zinc/51/55/56/373515556.db2.gz ZDKOQBQJUVNCGP-NWDGAFQWSA-N 2 1 282.350 2.010 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(C)CCC1 ZINC000644585612 373545352 /nfs/dbraw/zinc/54/53/52/373545352.db2.gz PCVPJGLCQGMJDB-INIZCTEOSA-N 2 1 276.424 2.259 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(C)CCC1 ZINC000644585612 373545357 /nfs/dbraw/zinc/54/53/57/373545357.db2.gz PCVPJGLCQGMJDB-INIZCTEOSA-N 2 1 276.424 2.259 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(C2CC2)CC1 ZINC000644606645 373556535 /nfs/dbraw/zinc/55/65/35/373556535.db2.gz FIIZPSUWJAFOML-QGZVFWFLSA-N 2 1 288.435 2.259 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(C2CC2)CC1 ZINC000644606645 373556536 /nfs/dbraw/zinc/55/65/36/373556536.db2.gz FIIZPSUWJAFOML-QGZVFWFLSA-N 2 1 288.435 2.259 20 0 CEADMP CCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000370160851 373595252 /nfs/dbraw/zinc/59/52/52/373595252.db2.gz IOVARRRPSFJKKQ-WCQYABFASA-N 2 1 280.441 2.265 20 0 CEADMP C[C@@H](NCCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272586206 373564727 /nfs/dbraw/zinc/56/47/27/373564727.db2.gz WUFBWTMLDWPKNK-AEFFLSMTSA-N 2 1 289.467 2.438 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272586206 373564733 /nfs/dbraw/zinc/56/47/33/373564733.db2.gz WUFBWTMLDWPKNK-AEFFLSMTSA-N 3 1 289.467 2.438 20 0 CEADMP C[C@@H]([NH2+]CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272586206 373564738 /nfs/dbraw/zinc/56/47/38/373564738.db2.gz WUFBWTMLDWPKNK-AEFFLSMTSA-N 3 1 289.467 2.438 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000272707110 373623574 /nfs/dbraw/zinc/62/35/74/373623574.db2.gz XEJXXYZEUUIJTR-QZTJIDSGSA-N 2 1 287.451 2.112 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)O ZINC000370634566 373701918 /nfs/dbraw/zinc/70/19/18/373701918.db2.gz LUDTYCVEBNLKBX-ZBFHGGJFSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)O ZINC000370634566 373701931 /nfs/dbraw/zinc/70/19/31/373701931.db2.gz LUDTYCVEBNLKBX-ZBFHGGJFSA-N 2 1 276.424 2.258 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(-n2ccnc2)c1 ZINC000370653654 373705898 /nfs/dbraw/zinc/70/58/98/373705898.db2.gz TWXXMYBAKVHEAW-IIAWOOMASA-N 2 1 299.422 2.086 20 0 CEADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2C[Si](C)(C)C ZINC000371293283 373834417 /nfs/dbraw/zinc/83/44/17/373834417.db2.gz GGYHXPAEVQRFOZ-RDBSUJKOSA-N 2 1 270.493 2.047 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371303713 373836746 /nfs/dbraw/zinc/83/67/46/373836746.db2.gz FXJKJHMRATYLRK-GOSISDBHSA-N 2 1 287.451 2.287 20 0 CEADMP COC1(CC[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000645131676 373868741 /nfs/dbraw/zinc/86/87/41/373868741.db2.gz OMKVJUULDSUQJG-CQSZACIVSA-N 2 1 277.412 2.337 20 0 CEADMP COC1(CC[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000645131676 373868746 /nfs/dbraw/zinc/86/87/46/373868746.db2.gz OMKVJUULDSUQJG-CQSZACIVSA-N 2 1 277.412 2.337 20 0 CEADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000372030009 374026698 /nfs/dbraw/zinc/02/66/98/374026698.db2.gz HAAJQMMGDAPTNE-QGZVFWFLSA-N 2 1 295.386 2.062 20 0 CEADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000372030009 374026702 /nfs/dbraw/zinc/02/67/02/374026702.db2.gz HAAJQMMGDAPTNE-QGZVFWFLSA-N 2 1 295.386 2.062 20 0 CEADMP CN(CC[N@@H+](C)CC1=CCCC1)C1CC[NH+](C)CC1 ZINC000645842151 374217160 /nfs/dbraw/zinc/21/71/60/374217160.db2.gz VLEUBWNVNBUYAY-UHFFFAOYSA-N 2 1 265.445 2.055 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000373107319 374268619 /nfs/dbraw/zinc/26/86/19/374268619.db2.gz RNVXXAVIICYJAO-GFCCVEGCSA-N 2 1 251.450 2.477 20 0 CEADMP C[C@H](CCC1CC1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000373238817 374303526 /nfs/dbraw/zinc/30/35/26/374303526.db2.gz HVWQGRPLAIVSBA-BPLDGKMQSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H](CCC1CC1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000373238817 374303534 /nfs/dbraw/zinc/30/35/34/374303534.db2.gz HVWQGRPLAIVSBA-BPLDGKMQSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(c2nccs2)CC1 ZINC000373321088 374329181 /nfs/dbraw/zinc/32/91/81/374329181.db2.gz ZGQABXDAXJGCCH-ZDUSSCGKSA-N 2 1 296.484 2.432 20 0 CEADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2nccs2)CC1 ZINC000373321088 374329183 /nfs/dbraw/zinc/32/91/83/374329183.db2.gz ZGQABXDAXJGCCH-ZDUSSCGKSA-N 2 1 296.484 2.432 20 0 CEADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000374614306 374614481 /nfs/dbraw/zinc/61/44/81/374614481.db2.gz VFNBUKUUZATQTF-JJXSEGSLSA-N 2 1 284.419 2.358 20 0 CEADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000374614306 374614487 /nfs/dbraw/zinc/61/44/87/374614487.db2.gz VFNBUKUUZATQTF-JJXSEGSLSA-N 2 1 284.419 2.358 20 0 CEADMP CO[C@H](C)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000376873782 374749900 /nfs/dbraw/zinc/74/99/00/374749900.db2.gz YKAKOEHWOQFNRE-OAHLLOKOSA-N 2 1 291.439 2.055 20 0 CEADMP CO[C@H](C)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000376873782 374749902 /nfs/dbraw/zinc/74/99/02/374749902.db2.gz YKAKOEHWOQFNRE-OAHLLOKOSA-N 2 1 291.439 2.055 20 0 CEADMP CC(C)[C@@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000376939507 374760753 /nfs/dbraw/zinc/76/07/53/374760753.db2.gz NKUMYSNTSOUSNK-HOCLYGCPSA-N 2 1 268.445 2.342 20 0 CEADMP O=C1OCC[C@@H]1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000376798187 374737399 /nfs/dbraw/zinc/73/73/99/374737399.db2.gz DMGZSEJQLPEDGU-HOTGVXAUSA-N 2 1 294.439 2.138 20 0 CEADMP C[C@H]1C[N@H+](CCC[NH2+]C2Cc3ccccc3C2)CCCO1 ZINC000278804971 374837456 /nfs/dbraw/zinc/83/74/56/374837456.db2.gz ZJEHFHXOEZFDNB-HNNXBMFYSA-N 2 1 288.435 2.244 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]C2Cc3ccccc3C2)CCCO1 ZINC000278804971 374837465 /nfs/dbraw/zinc/83/74/65/374837465.db2.gz ZJEHFHXOEZFDNB-HNNXBMFYSA-N 2 1 288.435 2.244 20 0 CEADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1O ZINC000377833053 374960459 /nfs/dbraw/zinc/96/04/59/374960459.db2.gz DCBVUZDTQNJXOH-CABCVRRESA-N 2 1 290.407 2.317 20 0 CEADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1O ZINC000377833053 374960465 /nfs/dbraw/zinc/96/04/65/374960465.db2.gz DCBVUZDTQNJXOH-CABCVRRESA-N 2 1 290.407 2.317 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000377657332 374911939 /nfs/dbraw/zinc/91/19/39/374911939.db2.gz XQUMSPHPYXVVSO-MRXNPFEDSA-N 2 1 279.428 2.312 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000377657332 374911943 /nfs/dbraw/zinc/91/19/43/374911943.db2.gz XQUMSPHPYXVVSO-MRXNPFEDSA-N 2 1 279.428 2.312 20 0 CEADMP C[NH+]1CCC(C)(C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000279947452 375041146 /nfs/dbraw/zinc/04/11/46/375041146.db2.gz BMRFJLSOQHKKGP-HNNXBMFYSA-N 2 1 299.422 2.216 20 0 CEADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000378371625 375086015 /nfs/dbraw/zinc/08/60/15/375086015.db2.gz SHXOCRDTRGXUQW-ZNMIVQPWSA-N 2 1 268.445 2.464 20 0 CEADMP C[N@H+](CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C1CCCC1 ZINC000378294878 375063866 /nfs/dbraw/zinc/06/38/66/375063866.db2.gz QOOAAWKMHNXDIV-OAGGEKHMSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@@H+](CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C1CCCC1 ZINC000378294878 375063876 /nfs/dbraw/zinc/06/38/76/375063876.db2.gz QOOAAWKMHNXDIV-OAGGEKHMSA-N 2 1 278.440 2.408 20 0 CEADMP COCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280260673 375147496 /nfs/dbraw/zinc/14/74/96/375147496.db2.gz CKIHSFAIIUEEGP-HDICACEKSA-N 2 1 288.435 2.477 20 0 CEADMP COCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280260673 375147501 /nfs/dbraw/zinc/14/75/01/375147501.db2.gz CKIHSFAIIUEEGP-HDICACEKSA-N 2 1 288.435 2.477 20 0 CEADMP COCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280260673 375147507 /nfs/dbraw/zinc/14/75/07/375147507.db2.gz CKIHSFAIIUEEGP-HDICACEKSA-N 2 1 288.435 2.477 20 0 CEADMP C[N@@H+](CCOCc1ccccc1)CC[C@H]1CC[NH2+]C1 ZINC000384163460 375207327 /nfs/dbraw/zinc/20/73/27/375207327.db2.gz JPQCEYBBUPDVMJ-OAHLLOKOSA-N 2 1 262.397 2.135 20 0 CEADMP C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)C1CC([NH3+])C1 ZINC000385008078 375224753 /nfs/dbraw/zinc/22/47/53/375224753.db2.gz MWPZMQYWFHTRDJ-UHFFFAOYSA-N 2 1 282.771 2.033 20 0 CEADMP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)C1CC([NH3+])C1 ZINC000385008078 375224759 /nfs/dbraw/zinc/22/47/59/375224759.db2.gz MWPZMQYWFHTRDJ-UHFFFAOYSA-N 2 1 282.771 2.033 20 0 CEADMP CO[C@@H]([C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000388267009 375287042 /nfs/dbraw/zinc/28/70/42/375287042.db2.gz CTFGXQPNLQMFFW-MHEUCROKSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000389857772 375308408 /nfs/dbraw/zinc/30/84/08/375308408.db2.gz CLBXZHIDFUHUHO-NXHRZFHOSA-N 2 1 287.451 2.096 20 0 CEADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000389857772 375308415 /nfs/dbraw/zinc/30/84/15/375308415.db2.gz CLBXZHIDFUHUHO-NXHRZFHOSA-N 2 1 287.451 2.096 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H](C)O ZINC000386821222 375267443 /nfs/dbraw/zinc/26/74/43/375267443.db2.gz UEMLHXPPJGAATE-CRAIPNDOSA-N 2 1 290.451 2.443 20 0 CEADMP CCc1nc(N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc(C)[nH+]1 ZINC000397253399 375339953 /nfs/dbraw/zinc/33/99/53/375339953.db2.gz FKYDVRDRHPZMHJ-RTXFEEFZSA-N 2 1 262.401 2.157 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399192986 375360010 /nfs/dbraw/zinc/36/00/10/375360010.db2.gz QXHMFUNKKOMNKY-JMSVASOKSA-N 2 1 250.361 2.487 20 0 CEADMP COCC[N@@H+](C)CCCNc1cc[nH+]c2c(O)cccc12 ZINC000684567663 542035353 /nfs/dbraw/zinc/03/53/53/542035353.db2.gz IOSRQFZBOUEWKZ-UHFFFAOYSA-N 2 1 289.379 2.321 20 0 CEADMP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[NH2+]Cc2ccccc21 ZINC000347499512 296233528 /nfs/dbraw/zinc/23/35/28/296233528.db2.gz SRXPDJCLFOBXQL-UHFFFAOYSA-N 2 1 293.370 2.040 20 0 CEADMP FC(F)n1ccnc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784868 375969595 /nfs/dbraw/zinc/96/95/95/375969595.db2.gz RRCARNWTEJVHBT-RYUDHWBXSA-N 2 1 284.354 2.100 20 0 CEADMP FC(F)n1ccnc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784868 375969599 /nfs/dbraw/zinc/96/95/99/375969599.db2.gz RRCARNWTEJVHBT-RYUDHWBXSA-N 2 1 284.354 2.100 20 0 CEADMP Cc1ccccc1-n1nccc1C[NH2+]C1CC[NH2+]CC1 ZINC000414787962 375971322 /nfs/dbraw/zinc/97/13/22/375971322.db2.gz ZXJXEUYWWLKTJK-UHFFFAOYSA-N 2 1 270.380 2.022 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2nccn2C(F)F)CC[NH2+]1 ZINC000414678392 375913732 /nfs/dbraw/zinc/91/37/32/375913732.db2.gz QRBXAFBZGZGAEQ-GHMZBOCLSA-N 2 1 272.343 2.098 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](CCCO)Cc2ccccc2)CC[NH2+]1 ZINC000414695713 375924997 /nfs/dbraw/zinc/92/49/97/375924997.db2.gz OOCMZAAWXCWATD-NVXWUHKLSA-N 2 1 276.424 2.259 20 0 CEADMP COC(=O)C1([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)CCCCC1 ZINC000414697697 375926117 /nfs/dbraw/zinc/92/61/17/375926117.db2.gz QBJNZYTVXFZHES-UONOGXRCSA-N 2 1 282.428 2.182 20 0 CEADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414697891 375927139 /nfs/dbraw/zinc/92/71/39/375927139.db2.gz COMYRMFPDSVMMP-XHSDSOJGSA-N 2 1 295.471 2.084 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000414705750 375931510 /nfs/dbraw/zinc/93/15/10/375931510.db2.gz LWSIMAZGCVLXMJ-INIZCTEOSA-N 3 1 269.477 2.414 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414706477 375931580 /nfs/dbraw/zinc/93/15/80/375931580.db2.gz MTGAUMWAKDNJAV-BZUAXINKSA-N 2 1 295.471 2.084 20 0 CEADMP CC(C)CO[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414707150 375932797 /nfs/dbraw/zinc/93/27/97/375932797.db2.gz MOJFSELVMMXWJS-RBSFLKMASA-N 2 1 254.418 2.121 20 0 CEADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C[C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000414717231 375938696 /nfs/dbraw/zinc/93/86/96/375938696.db2.gz XXWOELNQMOLALC-HZMVEIRTSA-N 3 1 279.472 2.322 20 0 CEADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414805322 375991615 /nfs/dbraw/zinc/99/16/15/375991615.db2.gz OPAIPGSZFCRJFE-UHFFFAOYSA-N 2 1 272.396 2.479 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000414803849 375989044 /nfs/dbraw/zinc/98/90/44/375989044.db2.gz WXZLHFRRKKQSOY-CQSZACIVSA-N 2 1 276.359 2.289 20 0 CEADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnccn2)c1 ZINC000556778043 376482466 /nfs/dbraw/zinc/48/24/66/376482466.db2.gz FAQLKCVGWXCRDA-UHFFFAOYSA-N 2 1 270.380 2.218 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnccn2)c1 ZINC000556778043 376482477 /nfs/dbraw/zinc/48/24/77/376482477.db2.gz FAQLKCVGWXCRDA-UHFFFAOYSA-N 2 1 270.380 2.218 20 0 CEADMP C[NH+](C)CCCCC(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000556819912 376498837 /nfs/dbraw/zinc/49/88/37/376498837.db2.gz FKPZCTDPRRBWHM-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CCC[C@H](C)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000305774102 376486571 /nfs/dbraw/zinc/48/65/71/376486571.db2.gz MFNIXJYKGDBYFF-AWEZNQCLSA-N 2 1 256.434 2.201 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(O)c2)C1 ZINC000289859236 376533267 /nfs/dbraw/zinc/53/32/67/376533267.db2.gz RNRNHAWYHJQZKI-QWHCGFSZSA-N 2 1 278.396 2.393 20 0 CEADMP CN(C)c1nc(NCCC[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000309575210 376596289 /nfs/dbraw/zinc/59/62/89/376596289.db2.gz IXPXMJZPMPXHMH-UHFFFAOYSA-N 2 1 299.422 2.477 20 0 CEADMP CN(C)c1nc(NCCC[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000309575210 376596295 /nfs/dbraw/zinc/59/62/95/376596295.db2.gz IXPXMJZPMPXHMH-UHFFFAOYSA-N 2 1 299.422 2.477 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000558419578 376605065 /nfs/dbraw/zinc/60/50/65/376605065.db2.gz RPBJSLRWTOCOJO-CYBMUJFWSA-N 2 1 288.395 2.490 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000558419578 376605072 /nfs/dbraw/zinc/60/50/72/376605072.db2.gz RPBJSLRWTOCOJO-CYBMUJFWSA-N 2 1 288.395 2.490 20 0 CEADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+]([C@@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000307758780 376571516 /nfs/dbraw/zinc/57/15/16/376571516.db2.gz PSCZPZGCYPZVAH-FGTMMUONSA-N 2 1 286.419 2.229 20 0 CEADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+]([C@@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000307758780 376571518 /nfs/dbraw/zinc/57/15/18/376571518.db2.gz PSCZPZGCYPZVAH-FGTMMUONSA-N 2 1 286.419 2.229 20 0 CEADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+]([C@@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000307758780 376571520 /nfs/dbraw/zinc/57/15/20/376571520.db2.gz PSCZPZGCYPZVAH-FGTMMUONSA-N 2 1 286.419 2.229 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000289978123 376586619 /nfs/dbraw/zinc/58/66/19/376586619.db2.gz XSOQMYXMKKEKEH-CRAIPNDOSA-N 2 1 298.434 2.452 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000289978123 376586624 /nfs/dbraw/zinc/58/66/24/376586624.db2.gz XSOQMYXMKKEKEH-CRAIPNDOSA-N 2 1 298.434 2.452 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000558696920 376635817 /nfs/dbraw/zinc/63/58/17/376635817.db2.gz RWDUOOZNIAVEMJ-BBWFWOEESA-N 2 1 279.472 2.038 20 0 CEADMP CC[NH+]1CCC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000558710028 376637385 /nfs/dbraw/zinc/63/73/85/376637385.db2.gz JXVLKISINRUUEG-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CC[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000558710028 376637392 /nfs/dbraw/zinc/63/73/92/376637392.db2.gz JXVLKISINRUUEG-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP c1ccc2c(c1)C[C@H](C[NH2+]C1CC[NH+](C3CC3)CC1)O2 ZINC000312805900 376729471 /nfs/dbraw/zinc/72/94/71/376729471.db2.gz BDATXKXQKPKAPH-MRXNPFEDSA-N 2 1 272.392 2.207 20 0 CEADMP Fc1ccc(F)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000311940978 376695490 /nfs/dbraw/zinc/69/54/90/376695490.db2.gz WEQYJBIOCICTAK-TXEJJXNPSA-N 2 1 266.335 2.396 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H](O)c2ccccc2)C1 ZINC000290271022 376714111 /nfs/dbraw/zinc/71/41/11/376714111.db2.gz LKWQFGVALVEGDI-WBVHZDCISA-N 2 1 276.424 2.384 20 0 CEADMP O[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C2(CCC2)C1 ZINC000420990873 376762997 /nfs/dbraw/zinc/76/29/97/376762997.db2.gz GWMFJQRMTJYWNI-OAHLLOKOSA-N 2 1 266.429 2.242 20 0 CEADMP C[C@@H]1CSCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211948678 542090188 /nfs/dbraw/zinc/09/01/88/542090188.db2.gz LNUNLYINJPOCHT-GFCCVEGCSA-N 2 1 262.422 2.270 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(C)nc1C ZINC000290363305 376748114 /nfs/dbraw/zinc/74/81/14/376748114.db2.gz GXDHLBQMAYLPLU-UHFFFAOYSA-N 2 1 289.427 2.400 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(C)nc1C ZINC000290363305 376748120 /nfs/dbraw/zinc/74/81/20/376748120.db2.gz GXDHLBQMAYLPLU-UHFFFAOYSA-N 2 1 289.427 2.400 20 0 CEADMP COC1(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCCC1 ZINC000318923578 376812725 /nfs/dbraw/zinc/81/27/25/376812725.db2.gz DLECUEMQUAWJOD-LSDHHAIUSA-N 2 1 266.429 2.410 20 0 CEADMP COC1(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCCC1 ZINC000319286779 376815901 /nfs/dbraw/zinc/81/59/01/376815901.db2.gz HAVOFUIMAFOXQG-KBPBESRZSA-N 2 1 252.402 2.006 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000422900537 376858619 /nfs/dbraw/zinc/85/86/19/376858619.db2.gz QPWAVHHZTZSAAX-DKIMLUQUSA-N 2 1 287.451 2.161 20 0 CEADMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000328640370 376868861 /nfs/dbraw/zinc/86/88/61/376868861.db2.gz FAYXLEMJQUUXDI-STQMWFEESA-N 2 1 276.384 2.201 20 0 CEADMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000328640370 376868864 /nfs/dbraw/zinc/86/88/64/376868864.db2.gz FAYXLEMJQUUXDI-STQMWFEESA-N 2 1 276.384 2.201 20 0 CEADMP CCNC(=O)c1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422949617 376874630 /nfs/dbraw/zinc/87/46/30/376874630.db2.gz UOZDRIMBTRNZTL-CVEARBPZSA-N 2 1 289.423 2.186 20 0 CEADMP CN(C)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1ccco1 ZINC000422961363 376887050 /nfs/dbraw/zinc/88/70/50/376887050.db2.gz BLUBYOHQQSTCEE-MELADBBJSA-N 2 1 265.401 2.132 20 0 CEADMP CC[C@H](CN[C@H](C)c1ccc(C[NH3+])nc1C)[NH+]1CCCC1 ZINC000422963793 376892808 /nfs/dbraw/zinc/89/28/08/376892808.db2.gz JNTSODYNTGWXPO-CZUORRHYSA-N 2 1 290.455 2.374 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422995997 376913026 /nfs/dbraw/zinc/91/30/26/376913026.db2.gz KUAVTTQQDWPOMZ-ULQDDVLXSA-N 2 1 281.488 2.475 20 0 CEADMP C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000423085496 376979994 /nfs/dbraw/zinc/97/99/94/376979994.db2.gz KAAWNYRBRFQLBP-ZIAGYGMSSA-N 2 1 266.429 2.049 20 0 CEADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423014616 376928991 /nfs/dbraw/zinc/92/89/91/376928991.db2.gz JCATYVNJRHZMDX-NSHDSACASA-N 2 1 287.411 2.128 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000423015032 376930019 /nfs/dbraw/zinc/93/00/19/376930019.db2.gz QFCIBLBHOYRYMR-IJLUTSLNSA-N 2 1 282.350 2.200 20 0 CEADMP COc1cc([C@@H](C)[NH2+]C2CC[NH2+]CC2)ccc1F ZINC000423020558 376936451 /nfs/dbraw/zinc/93/64/51/376936451.db2.gz BYZRYEXAYPBUSI-SNVBAGLBSA-N 2 1 252.333 2.237 20 0 CEADMP CS[C@H](C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1)C(C)(C)C ZINC000423036709 376943245 /nfs/dbraw/zinc/94/32/45/376943245.db2.gz UQLLIYTYWQWVCP-FRRDWIJNSA-N 2 1 274.474 2.121 20 0 CEADMP C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1c[nH+]ccc1N ZINC000423036425 376943371 /nfs/dbraw/zinc/94/33/71/376943371.db2.gz LAYCVKZGKXQIRY-CHWSQXEVSA-N 2 1 263.385 2.494 20 0 CEADMP CSCCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423056054 376949807 /nfs/dbraw/zinc/94/98/07/376949807.db2.gz WVWGZLWVZGYHMF-ZNMIVQPWSA-N 2 1 286.485 2.266 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)CC2 ZINC000423067895 376957204 /nfs/dbraw/zinc/95/72/04/376957204.db2.gz ANVAOXDSMYNQEZ-BPLDGKMQSA-N 2 1 276.428 2.051 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOC(F)(F)F ZINC000423070377 376961367 /nfs/dbraw/zinc/96/13/67/376961367.db2.gz NBPOQSDNHXCWLJ-PWSUYJOCSA-N 2 1 276.302 2.071 20 0 CEADMP C1[C@@H]([NH2+][C@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C12CCCC2 ZINC000423073265 376966517 /nfs/dbraw/zinc/96/65/17/376966517.db2.gz IIPOYMZTDWHAKA-CBBWQLFWSA-N 2 1 264.413 2.066 20 0 CEADMP C[C@H](NC[C@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423075106 376966560 /nfs/dbraw/zinc/96/65/60/376966560.db2.gz NOXWRDHZQYNSHO-IMJJTQAJSA-N 2 1 265.445 2.124 20 0 CEADMP C1[C@@H]([NH2+][C@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C12CCCC2 ZINC000423073266 376966648 /nfs/dbraw/zinc/96/66/48/376966648.db2.gz IIPOYMZTDWHAKA-LXTVHRRPSA-N 2 1 264.413 2.066 20 0 CEADMP C[C@@H]1CC(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C[C@@H](C)O1 ZINC000423117849 377012664 /nfs/dbraw/zinc/01/26/64/377012664.db2.gz XORSUEYGFUXGAY-RGCMKSIDSA-N 2 1 254.418 2.168 20 0 CEADMP CCOCC(C)(C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423124774 377022283 /nfs/dbraw/zinc/02/22/83/377022283.db2.gz PBUUJPFSCDYETQ-LLVKDONJSA-N 2 1 251.374 2.207 20 0 CEADMP C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)[C@H]1CCC[NH2+]1 ZINC000423129551 377026813 /nfs/dbraw/zinc/02/68/13/377026813.db2.gz FGJALAWSCMUQGJ-ZWNOBZJWSA-N 2 1 287.329 2.373 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423133234 377033306 /nfs/dbraw/zinc/03/33/06/377033306.db2.gz CNEFSQRSMPQMBH-KKUMJFAQSA-N 2 1 255.450 2.227 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)c1ccccn1)[C@@H]1CCCC[NH2+]1 ZINC000423143505 377042178 /nfs/dbraw/zinc/04/21/78/377042178.db2.gz DHXFJDDVKOULNZ-KBPBESRZSA-N 2 1 261.413 2.479 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)c1ccccn1)[C@@H]1CCCC[NH2+]1 ZINC000423143507 377042374 /nfs/dbraw/zinc/04/23/74/377042374.db2.gz DHXFJDDVKOULNZ-KGLIPLIRSA-N 2 1 261.413 2.479 20 0 CEADMP CSc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[NH3+])N(C)C)cc1 ZINC000423145708 377046932 /nfs/dbraw/zinc/04/69/32/377046932.db2.gz MCKTYSMCXOHHES-OAGGEKHMSA-N 2 1 293.480 2.481 20 0 CEADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423149297 377049565 /nfs/dbraw/zinc/04/95/65/377049565.db2.gz AMNVSJRJXNWLET-STQMWFEESA-N 2 1 272.751 2.327 20 0 CEADMP COc1ccc([C@H](CN(C)C)[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000423099169 376990749 /nfs/dbraw/zinc/99/07/49/376990749.db2.gz FBIXNLYUJHNLNR-XEZPLFJOSA-N 2 1 279.428 2.013 20 0 CEADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423101676 376995766 /nfs/dbraw/zinc/99/57/66/376995766.db2.gz WGSQIRMOSZJOBT-JKJDWNRSSA-N 2 1 266.429 2.169 20 0 CEADMP C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)[C@H]1CCCC[NH2+]1 ZINC000423103613 376996856 /nfs/dbraw/zinc/99/68/56/376996856.db2.gz LJKGIQDCTADZLI-SWLSCSKDSA-N 2 1 272.396 2.226 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000423108358 377000398 /nfs/dbraw/zinc/00/03/98/377000398.db2.gz LYNSDOIVDIFOHS-CJNGLKHVSA-N 2 1 290.455 2.374 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000423108358 377000410 /nfs/dbraw/zinc/00/04/10/377000410.db2.gz LYNSDOIVDIFOHS-CJNGLKHVSA-N 2 1 290.455 2.374 20 0 CEADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccncc1OCC(F)F ZINC000423107553 377001137 /nfs/dbraw/zinc/00/11/37/377001137.db2.gz SJURDXRHWITPPZ-WCQYABFASA-N 2 1 299.365 2.203 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423110044 377003367 /nfs/dbraw/zinc/00/33/67/377003367.db2.gz OMKZBYGTSXSQIM-SZMVWBNQSA-N 2 1 289.467 2.409 20 0 CEADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(CO)c1 ZINC000423192756 377108534 /nfs/dbraw/zinc/10/85/34/377108534.db2.gz WDGOPKGXPYUGNF-OAHLLOKOSA-N 2 1 299.418 2.404 20 0 CEADMP C[NH2+]CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423200742 377118004 /nfs/dbraw/zinc/11/80/04/377118004.db2.gz MZJIHSBNVPXKQC-RDJZCZTQSA-N 2 1 275.440 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423200742 377118011 /nfs/dbraw/zinc/11/80/11/377118011.db2.gz MZJIHSBNVPXKQC-RDJZCZTQSA-N 3 1 275.440 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423200742 377118018 /nfs/dbraw/zinc/11/80/18/377118018.db2.gz MZJIHSBNVPXKQC-RDJZCZTQSA-N 3 1 275.440 2.096 20 0 CEADMP C[C@H]([NH2+][C@H]1CCO[C@H](c2ccncc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423158387 377060990 /nfs/dbraw/zinc/06/09/90/377060990.db2.gz WPVJYWRWLPEKPQ-HJWJTTGWSA-N 2 1 289.423 2.422 20 0 CEADMP C[C@H](CCCCO)[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423164008 377067234 /nfs/dbraw/zinc/06/72/34/377067234.db2.gz WKBHAVAZQQNYMW-YCPHGPKFSA-N 2 1 264.413 2.086 20 0 CEADMP COc1cccc2c1C[C@@H]([NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C2 ZINC000423166770 377072534 /nfs/dbraw/zinc/07/25/34/377072534.db2.gz DECXAUHXJICPNL-IVMMDQJWSA-N 2 1 274.408 2.283 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1nc2c(s1)CCC2 ZINC000423172316 377080080 /nfs/dbraw/zinc/08/00/80/377080080.db2.gz SEFURLBNTKQDNP-LPEHRKFASA-N 2 1 253.415 2.408 20 0 CEADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC[NH3+] ZINC000423173857 377082000 /nfs/dbraw/zinc/08/20/00/377082000.db2.gz AIQKXYQGDCAXAM-LBPRGKRZSA-N 2 1 263.385 2.075 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000423269542 377190067 /nfs/dbraw/zinc/19/00/67/377190067.db2.gz HDYWNOOQNTZELY-WCQYABFASA-N 2 1 264.369 2.439 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCOc2ccc(OC)cc21 ZINC000423272933 377194516 /nfs/dbraw/zinc/19/45/16/377194516.db2.gz KHRUNMQUNJEHJO-SWLSCSKDSA-N 2 1 278.396 2.354 20 0 CEADMP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)C1(C)C ZINC000423273767 377195554 /nfs/dbraw/zinc/19/55/54/377195554.db2.gz JILBRRVFJLBYFF-BFHYXJOUSA-N 2 1 254.418 2.153 20 0 CEADMP C[C@@H]([NH2+][C@@H](C)c1ccncc1F)[C@@H]1CCC[NH2+]C1 ZINC000423219531 377137405 /nfs/dbraw/zinc/13/74/05/377137405.db2.gz UCXAMABONMZBLA-GRYCIOLGSA-N 2 1 251.349 2.259 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000423224731 377141650 /nfs/dbraw/zinc/14/16/50/377141650.db2.gz KBSMYYLNYLBIND-BBRMVZONSA-N 2 1 255.365 2.498 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000423226163 377143424 /nfs/dbraw/zinc/14/34/24/377143424.db2.gz PQELOGDBLLPVRQ-WCQYABFASA-N 2 1 250.390 2.358 20 0 CEADMP C[NH2+]CCN[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000423228215 377145289 /nfs/dbraw/zinc/14/52/89/377145289.db2.gz YTSDYXKVDQZULM-GFCCVEGCSA-N 2 1 258.369 2.051 20 0 CEADMP CC[NH2+]CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423253742 377175755 /nfs/dbraw/zinc/17/57/55/377175755.db2.gz ZNZSEOOXJPZPRL-BCDXTJNWSA-N 2 1 287.451 2.381 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000423258819 377179741 /nfs/dbraw/zinc/17/97/41/377179741.db2.gz COMWIBGBSXQMIT-UKRRQHHQSA-N 2 1 287.411 2.291 20 0 CEADMP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@H](C[NH3+])C1CC1 ZINC000423265467 377183770 /nfs/dbraw/zinc/18/37/70/377183770.db2.gz AXUMIFSAHSLQJR-CHWSQXEVSA-N 2 1 264.344 2.149 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000423282738 377209192 /nfs/dbraw/zinc/20/91/92/377209192.db2.gz WXCNKILNTMKFML-BXUZGUMPSA-N 2 1 253.365 2.363 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000423281986 377209217 /nfs/dbraw/zinc/20/92/17/377209217.db2.gz WAXAIWDUTDULCL-RYUDHWBXSA-N 2 1 266.385 2.210 20 0 CEADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)c(Br)c1 ZINC000423301907 377230566 /nfs/dbraw/zinc/23/05/66/377230566.db2.gz IOYOZIXGYXGHCJ-MRVPVSSYSA-N 2 1 287.176 2.458 20 0 CEADMP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c(C)c1OC ZINC000423336001 377268090 /nfs/dbraw/zinc/26/80/90/377268090.db2.gz XNXPZIGZBCFWPG-SMDDNHRTSA-N 2 1 278.396 2.400 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000423300679 377230879 /nfs/dbraw/zinc/23/08/79/377230879.db2.gz DWAMMLKMMJBVMI-BLLLJJGKSA-N 2 1 273.355 2.495 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](Cn1cccn1)C(C)C ZINC000423304810 377235149 /nfs/dbraw/zinc/23/51/49/377235149.db2.gz ZNXNUKPSAPBJEY-UONOGXRCSA-N 2 1 252.406 2.015 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423317071 377248078 /nfs/dbraw/zinc/24/80/78/377248078.db2.gz BJUOBBMMYFZGGM-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]1C[C@H](NCC2([NH3+])CCC2)C[N@H+]1Cc1ccccc1 ZINC000423328570 377263784 /nfs/dbraw/zinc/26/37/84/377263784.db2.gz NURGPNCDLFIQHG-HOCLYGCPSA-N 2 1 273.424 2.120 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CCC2)CN1Cc1ccccc1 ZINC000423328570 377263793 /nfs/dbraw/zinc/26/37/93/377263793.db2.gz NURGPNCDLFIQHG-HOCLYGCPSA-N 2 1 273.424 2.120 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000423276396 377200313 /nfs/dbraw/zinc/20/03/13/377200313.db2.gz OJLFFFZLOSIORA-JZXOWHBKSA-N 2 1 289.467 2.485 20 0 CEADMP C[NH2+]C[C@H](C)CN[C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000423276396 377200319 /nfs/dbraw/zinc/20/03/19/377200319.db2.gz OJLFFFZLOSIORA-JZXOWHBKSA-N 2 1 289.467 2.485 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000563866227 377306886 /nfs/dbraw/zinc/30/68/86/377306886.db2.gz QYPAASNPLAYUNX-GVDBMIGSSA-N 3 1 279.472 2.181 20 0 CEADMP CC[NH+]1CCC(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)CC1 ZINC000563866227 377306892 /nfs/dbraw/zinc/30/68/92/377306892.db2.gz QYPAASNPLAYUNX-GVDBMIGSSA-N 2 1 279.472 2.181 20 0 CEADMP COc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000564324433 377375159 /nfs/dbraw/zinc/37/51/59/377375159.db2.gz GHZKERHCCBKWIS-BBRMVZONSA-N 2 1 262.397 2.467 20 0 CEADMP COc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000564324433 377375168 /nfs/dbraw/zinc/37/51/68/377375168.db2.gz GHZKERHCCBKWIS-BBRMVZONSA-N 2 1 262.397 2.467 20 0 CEADMP COc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000564324433 377375173 /nfs/dbraw/zinc/37/51/73/377375173.db2.gz GHZKERHCCBKWIS-BBRMVZONSA-N 2 1 262.397 2.467 20 0 CEADMP COc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000564324433 377375180 /nfs/dbraw/zinc/37/51/80/377375180.db2.gz GHZKERHCCBKWIS-BBRMVZONSA-N 2 1 262.397 2.467 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000293013658 377394999 /nfs/dbraw/zinc/39/49/99/377394999.db2.gz OXRSYTAEBAOSET-UHFFFAOYSA-N 2 1 297.353 2.223 20 0 CEADMP Cc1cnc([C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000428366168 377492177 /nfs/dbraw/zinc/49/21/77/377492177.db2.gz WVBOATBJFNEUQP-OFQRWUPVSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cn1 ZINC000428366168 377492186 /nfs/dbraw/zinc/49/21/86/377492186.db2.gz WVBOATBJFNEUQP-OFQRWUPVSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1cnc([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cn1 ZINC000428366168 377492189 /nfs/dbraw/zinc/49/21/89/377492189.db2.gz WVBOATBJFNEUQP-OFQRWUPVSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1cnc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000428366168 377492196 /nfs/dbraw/zinc/49/21/96/377492196.db2.gz WVBOATBJFNEUQP-OFQRWUPVSA-N 2 1 274.412 2.262 20 0 CEADMP Cc1cnc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000428366168 377492201 /nfs/dbraw/zinc/49/22/01/377492201.db2.gz WVBOATBJFNEUQP-OFQRWUPVSA-N 2 1 274.412 2.262 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000564974812 377518833 /nfs/dbraw/zinc/51/88/33/377518833.db2.gz VUGVSXGTZAAOMT-KBPBESRZSA-N 2 1 282.391 2.313 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](CCO[C@H]2CCCC[C@@H]2C)C1 ZINC000430916649 377563828 /nfs/dbraw/zinc/56/38/28/377563828.db2.gz AVYYOPPWMMWELC-KKUMJFAQSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH2+]CC1CC[NH+]([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000430923909 377567992 /nfs/dbraw/zinc/56/79/92/377567992.db2.gz GSQWZYQNWZDGKU-NSHDSACASA-N 2 1 280.416 2.360 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000565165292 377581446 /nfs/dbraw/zinc/58/14/46/377581446.db2.gz PNHVOWDZCATPAV-DOTOQJQBSA-N 2 1 276.424 2.308 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCc2ccccc21 ZINC000565165292 377581463 /nfs/dbraw/zinc/58/14/63/377581463.db2.gz PNHVOWDZCATPAV-DOTOQJQBSA-N 2 1 276.424 2.308 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCc2ccccc21 ZINC000565165292 377581471 /nfs/dbraw/zinc/58/14/71/377581471.db2.gz PNHVOWDZCATPAV-DOTOQJQBSA-N 2 1 276.424 2.308 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000565165292 377581478 /nfs/dbraw/zinc/58/14/78/377581478.db2.gz PNHVOWDZCATPAV-DOTOQJQBSA-N 2 1 276.424 2.308 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000565165292 377581489 /nfs/dbraw/zinc/58/14/89/377581489.db2.gz PNHVOWDZCATPAV-DOTOQJQBSA-N 2 1 276.424 2.308 20 0 CEADMP C[C@H](CC(=O)Nc1cc[nH+]c(N(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000431006667 377584617 /nfs/dbraw/zinc/58/46/17/377584617.db2.gz ZLLVKHGSIOPOEH-CHWSQXEVSA-N 2 1 290.411 2.112 20 0 CEADMP CCC[N@H+](CC(=O)N(CC(C)C)C1CC1)C1CC[NH2+]CC1 ZINC000431072953 377593703 /nfs/dbraw/zinc/59/37/03/377593703.db2.gz HMTQLXOEGQXHSR-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+](CC(=O)N(CC(C)C)C1CC1)C1CC[NH2+]CC1 ZINC000431072953 377593709 /nfs/dbraw/zinc/59/37/09/377593709.db2.gz HMTQLXOEGQXHSR-UHFFFAOYSA-N 2 1 295.471 2.097 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000313358120 249394554 /nfs/dbraw/zinc/39/45/54/249394554.db2.gz TURXZLQBLNYWAQ-ZDUSSCGKSA-N 2 1 288.313 2.255 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000313358120 249394561 /nfs/dbraw/zinc/39/45/61/249394561.db2.gz TURXZLQBLNYWAQ-ZDUSSCGKSA-N 2 1 288.313 2.255 20 0 CEADMP CC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431517918 377646917 /nfs/dbraw/zinc/64/69/17/377646917.db2.gz JVEGAQQKRRTKJQ-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP C[N@@H+](C[C@@H](O)CNCc1ccc(C2CC2)cc1F)C1CC1 ZINC000565416766 377657266 /nfs/dbraw/zinc/65/72/66/377657266.db2.gz DNRTYVYEQIPPSO-INIZCTEOSA-N 2 1 292.398 2.248 20 0 CEADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000293908169 377819488 /nfs/dbraw/zinc/81/94/88/377819488.db2.gz ZYBXOSKIVQZNME-OLZOCXBDSA-N 2 1 277.412 2.493 20 0 CEADMP CC[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(C(=O)OC)cc1 ZINC000293870544 377798774 /nfs/dbraw/zinc/79/87/74/377798774.db2.gz UXNMMPPKTGRASQ-OAHLLOKOSA-N 2 1 278.396 2.466 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](CC[C@@H](C)O)CC1 ZINC000438975866 377915176 /nfs/dbraw/zinc/91/51/76/377915176.db2.gz PQMCNNNRLYZBFU-CQSZACIVSA-N 2 1 256.434 2.201 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@H]2C2CC2)CC1(C)C ZINC000442873807 378010843 /nfs/dbraw/zinc/01/08/43/378010843.db2.gz LLPADRAQLUARDW-HOTGVXAUSA-N 2 1 279.472 2.181 20 0 CEADMP CCc1cccc(OCC[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000442756822 377990991 /nfs/dbraw/zinc/99/09/91/377990991.db2.gz KUPHZALGSSNKBQ-UKRRQHHQSA-N 2 1 262.397 2.297 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000442788699 377996367 /nfs/dbraw/zinc/99/63/67/377996367.db2.gz IVEGMRGGIFKEHD-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000442788699 377996371 /nfs/dbraw/zinc/99/63/71/377996371.db2.gz IVEGMRGGIFKEHD-ILXRZTDVSA-N 2 1 289.423 2.300 20 0 CEADMP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065700 378033261 /nfs/dbraw/zinc/03/32/61/378033261.db2.gz CMOJSLLNLPUJOL-PYBGIAKNSA-N 2 1 295.471 2.131 20 0 CEADMP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]Cc2ccccc21 ZINC000295198322 378047874 /nfs/dbraw/zinc/04/78/74/378047874.db2.gz OVXUMABZXASLMY-VHRNVKJDSA-N 2 1 299.418 2.044 20 0 CEADMP Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cs1 ZINC000295245146 378068389 /nfs/dbraw/zinc/06/83/89/378068389.db2.gz SZPQOSDDUMRCOP-OAHLLOKOSA-N 2 1 282.453 2.383 20 0 CEADMP Cc1cnccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000295629445 378243049 /nfs/dbraw/zinc/24/30/49/378243049.db2.gz HNFZLNSLZJZKKB-MQVJKMGUSA-N 2 1 259.397 2.495 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)CO2 ZINC000296019939 378392923 /nfs/dbraw/zinc/39/29/23/378392923.db2.gz PLVANVSEEAGKFT-OAHLLOKOSA-N 2 1 292.423 2.319 20 0 CEADMP CC(C)[N@H+]1CCCC[C@H]1CN(C)CC[NH+](C)C1CC1 ZINC000450750107 378561280 /nfs/dbraw/zinc/56/12/80/378561280.db2.gz AWBQJWZJMLPMTK-INIZCTEOSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN(C)CC[N@H+](C)C1CC1 ZINC000450750107 378561285 /nfs/dbraw/zinc/56/12/85/378561285.db2.gz AWBQJWZJMLPMTK-INIZCTEOSA-N 2 1 267.461 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@H]1CN(C)CC[N@@H+](C)C1CC1 ZINC000450750107 378561289 /nfs/dbraw/zinc/56/12/89/378561289.db2.gz AWBQJWZJMLPMTK-INIZCTEOSA-N 2 1 267.461 2.275 20 0 CEADMP CCC[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000450787389 378580052 /nfs/dbraw/zinc/58/00/52/378580052.db2.gz FZAKZSDNJNKCGU-BBWFWOEESA-N 2 1 291.439 2.167 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)CCc1cscn1 ZINC000450908502 378639630 /nfs/dbraw/zinc/63/96/30/378639630.db2.gz SEIILJQMWIVDPN-UHFFFAOYSA-N 2 1 253.415 2.103 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1cscn1 ZINC000450908502 378639633 /nfs/dbraw/zinc/63/96/33/378639633.db2.gz SEIILJQMWIVDPN-UHFFFAOYSA-N 2 1 253.415 2.103 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCn3ccnc32)C1 ZINC000453059325 378789760 /nfs/dbraw/zinc/78/97/60/378789760.db2.gz MMSPAVGCQDZGTG-GJZGRUSLSA-N 2 1 276.428 2.430 20 0 CEADMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCC1 ZINC000453090279 378799317 /nfs/dbraw/zinc/79/93/17/378799317.db2.gz CBMISXFGYKZHOJ-CVEARBPZSA-N 2 1 295.471 2.132 20 0 CEADMP C[NH+](C)C1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000346843126 218033107 /nfs/dbraw/zinc/03/31/07/218033107.db2.gz WCRPILFCPIWXFR-MRXNPFEDSA-N 2 1 296.842 2.269 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cnc([C@@H]4CCCO4)s3)C[C@H]12 ZINC000346818987 218022029 /nfs/dbraw/zinc/02/20/29/218022029.db2.gz DKPDDWDSRZSTTO-CABNGKKXSA-N 2 1 293.436 2.164 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc([C@@H]4CCCO4)s3)C[C@H]12 ZINC000346818987 218022031 /nfs/dbraw/zinc/02/20/31/218022031.db2.gz DKPDDWDSRZSTTO-CABNGKKXSA-N 2 1 293.436 2.164 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]c(-c4ccccc4)n3)C[C@H]12 ZINC000346819992 218023055 /nfs/dbraw/zinc/02/30/55/218023055.db2.gz IPGNOUJMHKLNLF-VNQPRFMTSA-N 2 1 282.391 2.246 20 0 CEADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)C[C@H]12 ZINC000346819992 218023057 /nfs/dbraw/zinc/02/30/57/218023057.db2.gz IPGNOUJMHKLNLF-VNQPRFMTSA-N 2 1 282.391 2.246 20 0 CEADMP CCc1ccc(C[NH+]2CCN(CC(C)(C)[NH3+])CC2)s1 ZINC000346836752 218030252 /nfs/dbraw/zinc/03/02/52/218030252.db2.gz VJXHWHAIRSNKSQ-UHFFFAOYSA-N 2 1 281.469 2.165 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346838906 218030724 /nfs/dbraw/zinc/03/07/24/218030724.db2.gz RYELDJBKDCSJMJ-CWRNSKLLSA-N 2 1 290.455 2.424 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453277457 378854118 /nfs/dbraw/zinc/85/41/18/378854118.db2.gz JQYIICULGMOYQY-AWEZNQCLSA-N 2 1 295.471 2.084 20 0 CEADMP CC[NH+]1CCC([N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453277457 378854120 /nfs/dbraw/zinc/85/41/20/378854120.db2.gz JQYIICULGMOYQY-AWEZNQCLSA-N 2 1 295.471 2.084 20 0 CEADMP CCCn1nc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000346858602 218040046 /nfs/dbraw/zinc/04/00/46/218040046.db2.gz RKNYOMBUAWIPNS-NUEKZKHPSA-N 2 1 276.428 2.079 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@]1(C)CCCO1 ZINC000453331849 378864174 /nfs/dbraw/zinc/86/41/74/378864174.db2.gz ANRXFVYOMQAAJN-LUGNKYPNSA-N 2 1 252.402 2.159 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000453400446 378888687 /nfs/dbraw/zinc/88/86/87/378888687.db2.gz MJVPGWVOEQARAO-ARFHVFGLSA-N 2 1 278.440 2.408 20 0 CEADMP C[N@@H+](CCCC[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000453413922 378893764 /nfs/dbraw/zinc/89/37/64/378893764.db2.gz WUNQYQRSHLDHMG-HOCLYGCPSA-N 3 1 265.445 2.077 20 0 CEADMP C[NH+](CCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000453413922 378893772 /nfs/dbraw/zinc/89/37/72/378893772.db2.gz WUNQYQRSHLDHMG-HOCLYGCPSA-N 3 1 265.445 2.077 20 0 CEADMP C[NH+](CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000453413922 378893781 /nfs/dbraw/zinc/89/37/81/378893781.db2.gz WUNQYQRSHLDHMG-HOCLYGCPSA-N 3 1 265.445 2.077 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000453422609 378900034 /nfs/dbraw/zinc/90/00/34/378900034.db2.gz MVXGWMTUJJKXPT-MCIONIFRSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000346989790 218080411 /nfs/dbraw/zinc/08/04/11/218080411.db2.gz SBIINYLQITVCFG-CXAGYDPISA-N 2 1 274.408 2.310 20 0 CEADMP CCOc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1F ZINC000278545077 194036196 /nfs/dbraw/zinc/03/61/96/194036196.db2.gz CZPNTGKCMYKDQX-OKILXGFUSA-N 2 1 278.371 2.218 20 0 CEADMP Cc1nc(C[NH2+]CCCC[N@H+](C)C2CC2)cs1 ZINC000453596428 378916053 /nfs/dbraw/zinc/91/60/53/378916053.db2.gz LEWUCUNLHBMRGO-UHFFFAOYSA-N 2 1 253.415 2.416 20 0 CEADMP Cc1noc(C)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453603967 378918565 /nfs/dbraw/zinc/91/85/65/378918565.db2.gz QYQYSJRMPOJZPN-UHFFFAOYSA-N 2 1 251.374 2.255 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000347031184 218098576 /nfs/dbraw/zinc/09/85/76/218098576.db2.gz YIDASOCBAKXVDQ-UHFFFAOYSA-N 2 1 298.434 2.363 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000347036987 218101424 /nfs/dbraw/zinc/10/14/24/218101424.db2.gz FGXVTYHIVHMTBZ-AWEZNQCLSA-N 2 1 284.407 2.128 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)CC[C@@H]1[NH3+] ZINC000347042768 218103252 /nfs/dbraw/zinc/10/32/52/218103252.db2.gz MCLROPMFZYKIHS-MFKMUULPSA-N 2 1 270.323 2.457 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000347046651 218104557 /nfs/dbraw/zinc/10/45/57/218104557.db2.gz OWQKBMRZDIAZHW-KGLIPLIRSA-N 2 1 290.407 2.407 20 0 CEADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000347046651 218104559 /nfs/dbraw/zinc/10/45/59/218104559.db2.gz OWQKBMRZDIAZHW-KGLIPLIRSA-N 2 1 290.407 2.407 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1-n1cncn1 ZINC000347024317 218097151 /nfs/dbraw/zinc/09/71/51/218097151.db2.gz QTNTZAPXHXNTTA-DYVFJYSZSA-N 2 1 299.422 2.135 20 0 CEADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1-n1cncn1 ZINC000347024317 218097152 /nfs/dbraw/zinc/09/71/52/218097152.db2.gz QTNTZAPXHXNTTA-DYVFJYSZSA-N 2 1 299.422 2.135 20 0 CEADMP COCc1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000347110234 218125166 /nfs/dbraw/zinc/12/51/66/218125166.db2.gz PEALHUNTFIXTJD-CQSZACIVSA-N 2 1 295.452 2.254 20 0 CEADMP CC(C)c1ncc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)s1 ZINC000347114167 218126076 /nfs/dbraw/zinc/12/60/76/218126076.db2.gz SKSVRWCVFZPBIA-NSHDSACASA-N 2 1 253.415 2.437 20 0 CEADMP CC(C)c1ncc(C[N@H+]2CCC[C@@H](C[NH3+])C2)s1 ZINC000347114167 218126077 /nfs/dbraw/zinc/12/60/77/218126077.db2.gz SKSVRWCVFZPBIA-NSHDSACASA-N 2 1 253.415 2.437 20 0 CEADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000180442344 542264719 /nfs/dbraw/zinc/26/47/19/542264719.db2.gz AOGXHVARLOZNIN-MNOVXSKESA-N 2 1 261.373 2.210 20 0 CEADMP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cn[nH]c2C)CC1 ZINC000180448482 542264759 /nfs/dbraw/zinc/26/47/59/542264759.db2.gz MKHUJXOWYWQTCW-LBPRGKRZSA-N 2 1 264.417 2.491 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cn[nH]c2C)CC1 ZINC000180642450 542265371 /nfs/dbraw/zinc/26/53/71/542265371.db2.gz JXIPWQNIRONSNH-GFCCVEGCSA-N 2 1 264.417 2.491 20 0 CEADMP C[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000514947648 379169339 /nfs/dbraw/zinc/16/93/39/379169339.db2.gz GOCCBQOEERVMAQ-TZMCWYRMSA-N 2 1 294.443 2.071 20 0 CEADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000515347762 379206806 /nfs/dbraw/zinc/20/68/06/379206806.db2.gz NBWFFUGPWKYYRI-SKDZVZGDSA-N 2 1 288.435 2.355 20 0 CEADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000515347762 379206813 /nfs/dbraw/zinc/20/68/13/379206813.db2.gz NBWFFUGPWKYYRI-SKDZVZGDSA-N 2 1 288.435 2.355 20 0 CEADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000518645308 379398165 /nfs/dbraw/zinc/39/81/65/379398165.db2.gz JFWYGVDVRSMORL-LLVKDONJSA-N 2 1 276.771 2.458 20 0 CEADMP Cn1ccnc1[C@@H]1CCN(Cc2ccc(Cl)cn2)C1 ZINC000518645308 379398172 /nfs/dbraw/zinc/39/81/72/379398172.db2.gz JFWYGVDVRSMORL-LLVKDONJSA-N 2 1 276.771 2.458 20 0 CEADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000456392928 379423391 /nfs/dbraw/zinc/42/33/91/379423391.db2.gz XLOPXBNHYOHKLE-KBPBESRZSA-N 2 1 283.460 2.096 20 0 CEADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000456392928 379423394 /nfs/dbraw/zinc/42/33/94/379423394.db2.gz XLOPXBNHYOHKLE-KBPBESRZSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000303105588 379487173 /nfs/dbraw/zinc/48/71/73/379487173.db2.gz CSQHFMCTYFXCLC-RDJZCZTQSA-N 2 1 276.424 2.430 20 0 CEADMP CC(C)(C)CC[N@H+]1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000304870574 379599472 /nfs/dbraw/zinc/59/94/72/379599472.db2.gz HEUVCVCRPBSNCX-LSDHHAIUSA-N 2 1 268.445 2.344 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000522101055 379559911 /nfs/dbraw/zinc/55/99/11/379559911.db2.gz SHKAXFUQXNELSY-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC(C)(C)CO)[C@@H](C)C1 ZINC000305174476 379671424 /nfs/dbraw/zinc/67/14/24/379671424.db2.gz UZYGORAKEHGAJQ-UONOGXRCSA-N 2 1 256.434 2.105 20 0 CEADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000527227263 379735704 /nfs/dbraw/zinc/73/57/04/379735704.db2.gz DRQLGWWVEGPBES-SOUVJXGZSA-N 2 1 254.418 2.123 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000527227260 379737117 /nfs/dbraw/zinc/73/71/17/379737117.db2.gz DRQLGWWVEGPBES-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000347729926 218336930 /nfs/dbraw/zinc/33/69/30/218336930.db2.gz XUFUTMNHMYWRAU-JYJNAYRXSA-N 2 1 295.471 2.050 20 0 CEADMP O[C@H](C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(F)cc1 ZINC000267465783 190332330 /nfs/dbraw/zinc/33/23/30/190332330.db2.gz WHMCOXPVLHYRCP-UKRRQHHQSA-N 2 1 289.354 2.462 20 0 CEADMP C[N@@H+](CCCO)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000528382003 379955085 /nfs/dbraw/zinc/95/50/85/379955085.db2.gz JHISUSVTGPPKLL-UHFFFAOYSA-N 2 1 268.445 2.201 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)N(C)CCC[NH+](C)C)c1ccccc1 ZINC000540516893 380254285 /nfs/dbraw/zinc/25/42/85/380254285.db2.gz HJAMKWTUYMKQMY-MRXNPFEDSA-N 2 1 291.439 2.090 20 0 CEADMP Cc1ccc2c(C)cc(N3CC[N@@H+](CCO)[C@@H](C)C3)nc2c1 ZINC000490081083 380234200 /nfs/dbraw/zinc/23/42/00/380234200.db2.gz RSBPULMVQGYURL-HNNXBMFYSA-N 2 1 299.418 2.354 20 0 CEADMP Cc1ccc2c(C)cc(N3CCN(CCO)[C@@H](C)C3)nc2c1 ZINC000490081083 380234206 /nfs/dbraw/zinc/23/42/06/380234206.db2.gz RSBPULMVQGYURL-HNNXBMFYSA-N 2 1 299.418 2.354 20 0 CEADMP CN(C(=O)CC[NH+](C)C1CCCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000545309216 380381483 /nfs/dbraw/zinc/38/14/83/380381483.db2.gz SGTJSKQPOFNZOD-INIZCTEOSA-N 2 1 295.471 2.194 20 0 CEADMP Cc1ccc(CC[NH2+]Cc2c[nH+]ccc2N(C)C)o1 ZINC000544731896 380359778 /nfs/dbraw/zinc/35/97/78/380359778.db2.gz WDZUXTHGPUAYBQ-UHFFFAOYSA-N 2 1 259.353 2.381 20 0 CEADMP C[C@H](CC[NH+](C)C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548389074 380508870 /nfs/dbraw/zinc/50/88/70/380508870.db2.gz CJTYGZFZKCWRBH-CQSZACIVSA-N 2 1 283.460 2.097 20 0 CEADMP CN(CCC[NH+](C)C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547736393 380462757 /nfs/dbraw/zinc/46/27/57/380462757.db2.gz ORSWTSNNPHDBNM-UHFFFAOYSA-N 2 1 283.460 2.051 20 0 CEADMP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000548063969 380482218 /nfs/dbraw/zinc/48/22/18/380482218.db2.gz UCJIDDFZQQRISL-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000548063969 380482226 /nfs/dbraw/zinc/48/22/26/380482226.db2.gz UCJIDDFZQQRISL-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000548063969 380482234 /nfs/dbraw/zinc/48/22/34/380482234.db2.gz UCJIDDFZQQRISL-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492436435 380553844 /nfs/dbraw/zinc/55/38/44/380553844.db2.gz OFBBXIKYAXYFFH-CYBMUJFWSA-N 2 1 299.459 2.316 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492436435 380553846 /nfs/dbraw/zinc/55/38/46/380553846.db2.gz OFBBXIKYAXYFFH-CYBMUJFWSA-N 2 1 299.459 2.316 20 0 CEADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000551086994 380636546 /nfs/dbraw/zinc/63/65/46/380636546.db2.gz JOEFKXJEZHBIMS-BMFZPTHFSA-N 2 1 262.397 2.182 20 0 CEADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551086994 380636552 /nfs/dbraw/zinc/63/65/52/380636552.db2.gz JOEFKXJEZHBIMS-BMFZPTHFSA-N 2 1 262.397 2.182 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000549042990 380587682 /nfs/dbraw/zinc/58/76/82/380587682.db2.gz RJCMIHQWXXBDMO-BBWFWOEESA-N 2 1 279.472 2.182 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000554561021 380783214 /nfs/dbraw/zinc/78/32/14/380783214.db2.gz MJBZEPYKYFGJBK-SOUVJXGZSA-N 2 1 254.418 2.123 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC000348311850 218568865 /nfs/dbraw/zinc/56/88/65/218568865.db2.gz KAXJRROFVPHZLF-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)cc2cccnc12 ZINC000334785488 207072117 /nfs/dbraw/zinc/07/21/17/207072117.db2.gz SUZZZGDGAAITLT-CYBMUJFWSA-N 2 1 255.365 2.324 20 0 CEADMP Cc1ccn2c(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cnc2c1 ZINC000334818833 207129966 /nfs/dbraw/zinc/12/99/66/207129966.db2.gz GLQBQBIFVOYMEQ-UONOGXRCSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1ccn2c(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cnc2c1 ZINC000334818833 207129971 /nfs/dbraw/zinc/12/99/71/207129971.db2.gz GLQBQBIFVOYMEQ-UONOGXRCSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1cccn2c(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cnc12 ZINC000334822143 207137283 /nfs/dbraw/zinc/13/72/83/207137283.db2.gz URJWQPUTNVZBCK-JSGCOSHPSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1cccn2c(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cnc12 ZINC000334822143 207137285 /nfs/dbraw/zinc/13/72/85/207137285.db2.gz URJWQPUTNVZBCK-JSGCOSHPSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)n21 ZINC000334843318 207171044 /nfs/dbraw/zinc/17/10/44/207171044.db2.gz OWVDKRLUBYKWLL-CQSZACIVSA-N 2 1 272.396 2.120 20 0 CEADMP Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000335344768 208236291 /nfs/dbraw/zinc/23/62/91/208236291.db2.gz YEBGRKJJJQYFAL-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000335344768 208236299 /nfs/dbraw/zinc/23/62/99/208236299.db2.gz YEBGRKJJJQYFAL-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000335344768 208236302 /nfs/dbraw/zinc/23/63/02/208236302.db2.gz YEBGRKJJJQYFAL-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP Cc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000335344768 208236306 /nfs/dbraw/zinc/23/63/06/208236306.db2.gz YEBGRKJJJQYFAL-ZBFHGGJFSA-N 2 1 259.397 2.306 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]c(C(=O)OC)c2)C[C@@H]1C ZINC000353746593 220294771 /nfs/dbraw/zinc/29/47/71/220294771.db2.gz MDYKVAGOTZFPHW-JSGCOSHPSA-N 2 1 293.411 2.106 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]c(C(=O)OC)c2)C[C@@H]1C ZINC000353746593 220294773 /nfs/dbraw/zinc/29/47/73/220294773.db2.gz MDYKVAGOTZFPHW-JSGCOSHPSA-N 2 1 293.411 2.106 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]c(C(=O)OC)c2)C[C@@H]1C ZINC000353746593 220294775 /nfs/dbraw/zinc/29/47/75/220294775.db2.gz MDYKVAGOTZFPHW-JSGCOSHPSA-N 2 1 293.411 2.106 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]c(C(=O)OC)c2)C[C@@H]1C ZINC000353746593 220294776 /nfs/dbraw/zinc/29/47/76/220294776.db2.gz MDYKVAGOTZFPHW-JSGCOSHPSA-N 2 1 293.411 2.106 20 0 CEADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000337409875 285146260 /nfs/dbraw/zinc/14/62/60/285146260.db2.gz VLTYVHKJCOZDPF-AEGPPILISA-N 2 1 254.418 2.121 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000354160089 220584316 /nfs/dbraw/zinc/58/43/16/220584316.db2.gz FRYQBXIWRQJFCG-ILXRZTDVSA-N 2 1 254.418 2.123 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281320642 195196488 /nfs/dbraw/zinc/19/64/88/195196488.db2.gz SMMXOBNLMNBXLY-HNNXBMFYSA-N 2 1 274.343 2.467 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000517172504 260032079 /nfs/dbraw/zinc/03/20/79/260032079.db2.gz XLSMMGJVPRTMEB-RRFJBIMHSA-N 2 1 277.412 2.146 20 0 CEADMP COC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000125992176 285399116 /nfs/dbraw/zinc/39/91/16/285399116.db2.gz JKQYDSRXPJFUCM-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](C)C2)CC1 ZINC000355581002 394466923 /nfs/dbraw/zinc/46/69/23/394466923.db2.gz IXRWYZDIVIPDBM-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227496541 394472434 /nfs/dbraw/zinc/47/24/34/394472434.db2.gz VRZZYJSHWAJRLL-ILXRZTDVSA-N 3 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227496541 394472436 /nfs/dbraw/zinc/47/24/36/394472436.db2.gz VRZZYJSHWAJRLL-ILXRZTDVSA-N 2 1 267.461 2.037 20 0 CEADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)CC(C)C)C2)CC1 ZINC000355684818 394500908 /nfs/dbraw/zinc/50/09/08/394500908.db2.gz VIUKRRDKRLQHCZ-JKSUJKDBSA-N 2 1 267.461 2.133 20 0 CEADMP CC1CC[NH+](CCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000249765718 394560267 /nfs/dbraw/zinc/56/02/67/394560267.db2.gz OTRQIZTYPARYIU-BZUAXINKSA-N 2 1 267.461 2.037 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000249765718 394560268 /nfs/dbraw/zinc/56/02/68/394560268.db2.gz OTRQIZTYPARYIU-BZUAXINKSA-N 2 1 267.461 2.037 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000249765718 394560271 /nfs/dbraw/zinc/56/02/71/394560271.db2.gz OTRQIZTYPARYIU-BZUAXINKSA-N 2 1 267.461 2.037 20 0 CEADMP C([NH2+][C@H]1CCC[C@@H](C2CC2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252565853 394572135 /nfs/dbraw/zinc/57/21/35/394572135.db2.gz ZCQPLCURTOBLMC-LTIDMASMSA-N 2 1 278.440 2.408 20 0 CEADMP C([NH2+][C@H]1CCC[C@@H](C2CC2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252565853 394572137 /nfs/dbraw/zinc/57/21/37/394572137.db2.gz ZCQPLCURTOBLMC-LTIDMASMSA-N 2 1 278.440 2.408 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422020145 394657300 /nfs/dbraw/zinc/65/73/00/394657300.db2.gz LGMZETOXOREJNI-INIZCTEOSA-N 2 1 297.487 2.441 20 0 CEADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413936120 394661223 /nfs/dbraw/zinc/66/12/23/394661223.db2.gz FSJJFIXCXIIBCA-YPMHNXCESA-N 2 1 293.386 2.024 20 0 CEADMP COC1([C@@H](C)[NH2+]CC2([NH+](C)C)CCOCC2)CCCCC1 ZINC000421828523 394607851 /nfs/dbraw/zinc/60/78/51/394607851.db2.gz DCXDPTRQWHOLHJ-OAHLLOKOSA-N 2 1 298.471 2.425 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CCO1 ZINC000356971659 394667978 /nfs/dbraw/zinc/66/79/78/394667978.db2.gz AJZNOBVKTIURAK-QLFBSQMISA-N 2 1 254.418 2.075 20 0 CEADMP C[NH+]1CCC([NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000356843346 394629876 /nfs/dbraw/zinc/62/98/76/394629876.db2.gz GYJQDIDZKJCXON-UHFFFAOYSA-N 2 1 293.377 2.087 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NC2CCCCCC2)C[C@H]1C[NH3+] ZINC000332269152 394636286 /nfs/dbraw/zinc/63/62/86/394636286.db2.gz FXXRZRGPBHAVCD-QLFBSQMISA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC2CCCCCC2)C[C@H]1C[NH3+] ZINC000332269152 394636289 /nfs/dbraw/zinc/63/62/89/394636289.db2.gz FXXRZRGPBHAVCD-QLFBSQMISA-N 2 1 295.471 2.131 20 0 CEADMP CCCC[N@@H+](C)CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422708817 394731521 /nfs/dbraw/zinc/73/15/21/394731521.db2.gz JKZVYZHCAZLMJP-CVEARBPZSA-N 2 1 261.413 2.453 20 0 CEADMP C[C@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422712801 394734034 /nfs/dbraw/zinc/73/40/34/394734034.db2.gz OLBMKTPUYOWRKC-LXTVHRRPSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422718785 394738176 /nfs/dbraw/zinc/73/81/76/394738176.db2.gz QBRKAGLGMKHVSR-IJEWVQPXSA-N 2 1 273.424 2.168 20 0 CEADMP CCc1ncc(C[NH2+]CCCCn2cc[nH+]c2C)cn1 ZINC000414354958 394741801 /nfs/dbraw/zinc/74/18/01/394741801.db2.gz AZUWCZRISOZSBX-UHFFFAOYSA-N 2 1 273.384 2.114 20 0 CEADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000422726390 394742065 /nfs/dbraw/zinc/74/20/65/394742065.db2.gz DVWPNVMVMBPZNV-GJZGRUSLSA-N 3 1 255.450 2.358 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000422726390 394742069 /nfs/dbraw/zinc/74/20/69/394742069.db2.gz DVWPNVMVMBPZNV-GJZGRUSLSA-N 3 1 255.450 2.358 20 0 CEADMP CCOc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])ccc1OC ZINC000422725547 394742327 /nfs/dbraw/zinc/74/23/27/394742327.db2.gz BUBDEMFVDCRQOD-STQMWFEESA-N 2 1 264.369 2.063 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422738827 394749358 /nfs/dbraw/zinc/74/93/58/394749358.db2.gz KCMILRKGLBHBQD-PMPSAXMXSA-N 2 1 267.461 2.371 20 0 CEADMP CC[C@H](C[NH2+][C@H](C)Cc1ccc(OC)nc1)[NH+]1CCCC1 ZINC000414058077 394688486 /nfs/dbraw/zinc/68/84/86/394688486.db2.gz GUTKPCOKZZMKJA-GDBMZVCRSA-N 2 1 291.439 2.485 20 0 CEADMP CC(C)[C@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1C ZINC000357261415 394697617 /nfs/dbraw/zinc/69/76/17/394697617.db2.gz QQJGSNJVGOFEMH-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C ZINC000357261415 394697620 /nfs/dbraw/zinc/69/76/20/394697620.db2.gz QQJGSNJVGOFEMH-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@H]1CN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1C ZINC000357261415 394697623 /nfs/dbraw/zinc/69/76/23/394697623.db2.gz QQJGSNJVGOFEMH-JKSUJKDBSA-N 2 1 295.471 2.050 20 0 CEADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000268858191 394700832 /nfs/dbraw/zinc/70/08/32/394700832.db2.gz RLHVMMFYKWAGQL-NVXWUHKLSA-N 2 1 274.408 2.029 20 0 CEADMP CCc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000422733498 394746455 /nfs/dbraw/zinc/74/64/55/394746455.db2.gz QWNKADBLXFECIH-ULQDDVLXSA-N 2 1 275.440 2.321 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000357793011 394703703 /nfs/dbraw/zinc/70/37/03/394703703.db2.gz DUJDFWFWFGYLPB-VNQPRFMTSA-N 2 1 268.445 2.248 20 0 CEADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1CC1(C)C ZINC000414127415 394710452 /nfs/dbraw/zinc/71/04/52/394710452.db2.gz SGDRQDADJOIMAZ-JKSUJKDBSA-N 2 1 281.488 2.428 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc3c[nH]nc3c2)C[C@@H]1C[NH3+] ZINC000422561232 394710969 /nfs/dbraw/zinc/71/09/69/394710969.db2.gz JYWQGYOIPNXHDO-XUJVJEKNSA-N 2 1 272.396 2.368 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc3c[nH]nc3c2)C[C@@H]1C[NH3+] ZINC000422561229 394711014 /nfs/dbraw/zinc/71/10/14/394711014.db2.gz JYWQGYOIPNXHDO-JMSVASOKSA-N 2 1 272.396 2.368 20 0 CEADMP CC(C)CC(CC(C)C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358224252 394712072 /nfs/dbraw/zinc/71/20/72/394712072.db2.gz BOYKRLUANLDRAC-OAHLLOKOSA-N 2 1 256.434 2.103 20 0 CEADMP CC(C)CC(CC(C)C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358224252 394712073 /nfs/dbraw/zinc/71/20/73/394712073.db2.gz BOYKRLUANLDRAC-OAHLLOKOSA-N 2 1 256.434 2.103 20 0 CEADMP CC(C)[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000358224639 394712752 /nfs/dbraw/zinc/71/27/52/394712752.db2.gz CAYLLFPCTQOMIJ-HZPDHXFCSA-N 2 1 298.377 2.318 20 0 CEADMP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000358224639 394712758 /nfs/dbraw/zinc/71/27/58/394712758.db2.gz CAYLLFPCTQOMIJ-HZPDHXFCSA-N 2 1 298.377 2.318 20 0 CEADMP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000358224639 394712761 /nfs/dbraw/zinc/71/27/61/394712761.db2.gz CAYLLFPCTQOMIJ-HZPDHXFCSA-N 2 1 298.377 2.318 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)cn1 ZINC000414139163 394714395 /nfs/dbraw/zinc/71/43/95/394714395.db2.gz HJVFSEXQJSTMDS-ZIAGYGMSSA-N 2 1 279.428 2.340 20 0 CEADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)cn1 ZINC000414139163 394714398 /nfs/dbraw/zinc/71/43/98/394714398.db2.gz HJVFSEXQJSTMDS-ZIAGYGMSSA-N 2 1 279.428 2.340 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(C)c1 ZINC000358263355 394715057 /nfs/dbraw/zinc/71/50/57/394715057.db2.gz XRFQLQNNGXMZSW-GOEBONIOSA-N 2 1 262.397 2.021 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(C)c1 ZINC000358263355 394715058 /nfs/dbraw/zinc/71/50/58/394715058.db2.gz XRFQLQNNGXMZSW-GOEBONIOSA-N 2 1 262.397 2.021 20 0 CEADMP C[C@H]1C[C@@H](C[N@H+]2CCc3ccc(O)cc3C2)CC[NH2+]1 ZINC000334848187 394715480 /nfs/dbraw/zinc/71/54/80/394715480.db2.gz OSRCJDOAIYRNSO-STQMWFEESA-N 2 1 260.381 2.138 20 0 CEADMP CC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1nccn1C ZINC000414163281 394720294 /nfs/dbraw/zinc/72/02/94/394720294.db2.gz FWVIGPKBVNIEAR-CQSZACIVSA-N 2 1 269.352 2.309 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)s1 ZINC000422639641 394723460 /nfs/dbraw/zinc/72/34/60/394723460.db2.gz UARCPUQIURMHDA-SRVKXCTJSA-N 2 1 296.436 2.340 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)s1 ZINC000422639641 394723463 /nfs/dbraw/zinc/72/34/63/394723463.db2.gz UARCPUQIURMHDA-SRVKXCTJSA-N 2 1 296.436 2.340 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)s1 ZINC000422639642 394723646 /nfs/dbraw/zinc/72/36/46/394723646.db2.gz UARCPUQIURMHDA-TUAOUCFPSA-N 2 1 296.436 2.340 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)s1 ZINC000422639642 394723650 /nfs/dbraw/zinc/72/36/50/394723650.db2.gz UARCPUQIURMHDA-TUAOUCFPSA-N 2 1 296.436 2.340 20 0 CEADMP CC(C)[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000358743567 394728298 /nfs/dbraw/zinc/72/82/98/394728298.db2.gz VOBNWQLYPMYSEM-XHSDSOJGSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000358743567 394728299 /nfs/dbraw/zinc/72/82/99/394728299.db2.gz VOBNWQLYPMYSEM-XHSDSOJGSA-N 2 1 295.471 2.048 20 0 CEADMP COCC1(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC1 ZINC000361372857 394826179 /nfs/dbraw/zinc/82/61/79/394826179.db2.gz ACYGKYTZSPDUQJ-YIONKMFJSA-N 2 1 266.429 2.360 20 0 CEADMP COCC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@H]1CC[C@H](C)C1 ZINC000414754190 394751272 /nfs/dbraw/zinc/75/12/72/394751272.db2.gz NNSTUXCIPSLCBO-ZNMIVQPWSA-N 2 1 256.434 2.497 20 0 CEADMP COCC1(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000361372857 394826182 /nfs/dbraw/zinc/82/61/82/394826182.db2.gz ACYGKYTZSPDUQJ-YIONKMFJSA-N 2 1 266.429 2.360 20 0 CEADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000414818622 394752528 /nfs/dbraw/zinc/75/25/28/394752528.db2.gz WGOMALIILIBQOT-CABCVRRESA-N 2 1 283.460 2.275 20 0 CEADMP C[C@@H](NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422743280 394753203 /nfs/dbraw/zinc/75/32/03/394753203.db2.gz RGRZVNXDCZSHFR-KBAYOESNSA-N 2 1 287.451 2.381 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422742550 394753316 /nfs/dbraw/zinc/75/33/16/394753316.db2.gz QIEYGMRJLUJCFO-KBAYOESNSA-N 2 1 287.451 2.239 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(N)c2)[C@H](C)C1 ZINC000414959986 394826411 /nfs/dbraw/zinc/82/64/11/394826411.db2.gz GMPRQQTYKSXFLK-CZUORRHYSA-N 2 1 261.413 2.397 20 0 CEADMP CC[C@H](NC[C@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000422744462 394754578 /nfs/dbraw/zinc/75/45/78/394754578.db2.gz SYVNMZMXKILFKN-PMPSAXMXSA-N 2 1 267.461 2.227 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422745511 394755404 /nfs/dbraw/zinc/75/54/04/394755404.db2.gz VHRKBZVINLKXAV-OWCLPIDISA-N 3 1 267.461 2.085 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422745511 394755406 /nfs/dbraw/zinc/75/54/06/394755406.db2.gz VHRKBZVINLKXAV-OWCLPIDISA-N 2 1 267.461 2.085 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422745511 394755408 /nfs/dbraw/zinc/75/54/08/394755408.db2.gz VHRKBZVINLKXAV-OWCLPIDISA-N 2 1 267.461 2.085 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccnn1-c1ccccc1C ZINC000414829437 394757840 /nfs/dbraw/zinc/75/78/40/394757840.db2.gz AVQDTKLQKVVCPT-ZDUSSCGKSA-N 2 1 272.396 2.126 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2(COC)CCC2)C1 ZINC000361307588 394822518 /nfs/dbraw/zinc/82/25/18/394822518.db2.gz HDEDZYMWZHUYGR-INIZCTEOSA-N 2 1 298.471 2.236 20 0 CEADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H]2CCC[NH2+]C2)C1 ZINC000414833904 394761559 /nfs/dbraw/zinc/76/15/59/394761559.db2.gz RUQCJBBDZJQVHL-JFIYKMOQSA-N 2 1 287.451 2.411 20 0 CEADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000414833904 394761561 /nfs/dbraw/zinc/76/15/61/394761561.db2.gz RUQCJBBDZJQVHL-JFIYKMOQSA-N 2 1 287.451 2.411 20 0 CEADMP COc1ccccc1CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422755988 394762137 /nfs/dbraw/zinc/76/21/37/394762137.db2.gz ILWOHVPUOHBAPC-GFCCVEGCSA-N 2 1 271.364 2.396 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](c1ccccc1)[NH+](C)C ZINC000359582307 394764053 /nfs/dbraw/zinc/76/40/53/394764053.db2.gz DPMNQIVFXYRIMS-OIISXLGYSA-N 2 1 275.440 2.219 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000359582307 394764056 /nfs/dbraw/zinc/76/40/56/394764056.db2.gz DPMNQIVFXYRIMS-OIISXLGYSA-N 2 1 275.440 2.219 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000359582307 394764060 /nfs/dbraw/zinc/76/40/60/394764060.db2.gz DPMNQIVFXYRIMS-OIISXLGYSA-N 2 1 275.440 2.219 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1OC ZINC000414841477 394765944 /nfs/dbraw/zinc/76/59/44/394765944.db2.gz NEPIEUKSYRVLNJ-CYBMUJFWSA-N 2 1 266.385 2.167 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccccc1OCC1CC1 ZINC000414841367 394765977 /nfs/dbraw/zinc/76/59/77/394765977.db2.gz NTEYMMYMVXMRLD-CYBMUJFWSA-N 2 1 262.397 2.421 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(OC)c(OC)cc1SC ZINC000414850586 394770267 /nfs/dbraw/zinc/77/02/67/394770267.db2.gz ZFNWGTJPPRTTDJ-NSHDSACASA-N 2 1 298.452 2.371 20 0 CEADMP CC[C@H](NCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422769328 394770861 /nfs/dbraw/zinc/77/08/61/394770861.db2.gz OPZHITCSNVLESO-PMPSAXMXSA-N 2 1 267.461 2.371 20 0 CEADMP Fc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422769170 394771616 /nfs/dbraw/zinc/77/16/16/394771616.db2.gz USYUETMIBAFPJU-CWRNSKLLSA-N 2 1 278.371 2.072 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOC1CCCC1 ZINC000422771936 394773091 /nfs/dbraw/zinc/77/30/91/394773091.db2.gz WKKILRKRESSHDY-RHSMWYFYSA-N 2 1 276.424 2.494 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422772128 394773466 /nfs/dbraw/zinc/77/34/66/394773466.db2.gz YUFVFXXXOQPFQZ-MEDUHNTESA-N 2 1 275.371 2.437 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422840427 394823395 /nfs/dbraw/zinc/82/33/95/394823395.db2.gz SWMPRYKYXJFRKF-MEDUHNTESA-N 2 1 275.371 2.437 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(CO)cc2)[C@@H](C)C1 ZINC000272489210 394774879 /nfs/dbraw/zinc/77/48/79/394774879.db2.gz MVZVUSPJPYCWBQ-WMLDXEAASA-N 2 1 276.424 2.341 20 0 CEADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(CO)cc2)[C@@H](C)C1 ZINC000272489210 394774883 /nfs/dbraw/zinc/77/48/83/394774883.db2.gz MVZVUSPJPYCWBQ-WMLDXEAASA-N 2 1 276.424 2.341 20 0 CEADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(CO)cc2)[C@@H](C)C1 ZINC000272489210 394774887 /nfs/dbraw/zinc/77/48/87/394774887.db2.gz MVZVUSPJPYCWBQ-WMLDXEAASA-N 2 1 276.424 2.341 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)Oc1ccc(F)cc1 ZINC000422779526 394778777 /nfs/dbraw/zinc/77/87/77/394778777.db2.gz BWOOZUOAXKTFFA-XUJVJEKNSA-N 2 1 266.360 2.323 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000414871069 394780887 /nfs/dbraw/zinc/78/08/87/394780887.db2.gz CTCXGOILQOSZCO-NSHDSACASA-N 2 1 261.394 2.495 20 0 CEADMP C[C@@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000359940521 394781500 /nfs/dbraw/zinc/78/15/00/394781500.db2.gz HNFWYCHRTTTZRW-UGUYLWEFSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000359940521 394781502 /nfs/dbraw/zinc/78/15/02/394781502.db2.gz HNFWYCHRTTTZRW-UGUYLWEFSA-N 2 1 267.461 2.179 20 0 CEADMP C[C@@H](CN[C@H]1CC[NH+](C)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000359940521 394781505 /nfs/dbraw/zinc/78/15/05/394781505.db2.gz HNFWYCHRTTTZRW-UGUYLWEFSA-N 2 1 267.461 2.179 20 0 CEADMP COc1cc2c(c(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)c1)O[C@H](C)C2 ZINC000414955552 394823939 /nfs/dbraw/zinc/82/39/39/394823939.db2.gz MAYIYLJWTMKCAN-HWWQOWPSSA-N 2 1 290.407 2.106 20 0 CEADMP CCN(CCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422787856 394786094 /nfs/dbraw/zinc/78/60/94/394786094.db2.gz QPTNLUUQWNDRSD-RDJZCZTQSA-N 2 1 275.440 2.491 20 0 CEADMP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc(Cl)c1OC ZINC000414955626 394824205 /nfs/dbraw/zinc/82/42/05/394824205.db2.gz MINMEZNYQZGUOA-GWCFXTLKSA-N 2 1 298.814 2.445 20 0 CEADMP Cc1cccc(O[C@@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422790612 394787890 /nfs/dbraw/zinc/78/78/90/394787890.db2.gz PLRDBVZPTRMQRL-SQWLQELKSA-N 2 1 262.397 2.492 20 0 CEADMP C[C@]1(C[NH2+]Cc2ccnn2-c2ccccc2)CCC[NH2+]C1 ZINC000414899080 394794988 /nfs/dbraw/zinc/79/49/88/394794988.db2.gz CDTOTIGBJIQJMK-KRWDZBQOSA-N 2 1 284.407 2.352 20 0 CEADMP CCCOc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1OC ZINC000414902446 394796674 /nfs/dbraw/zinc/79/66/74/394796674.db2.gz YHCFLRPWLZKOAN-CQSZACIVSA-N 2 1 278.396 2.311 20 0 CEADMP COc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(OC)c1 ZINC000414908400 394799753 /nfs/dbraw/zinc/79/97/53/394799753.db2.gz QWCAGXRKJYKCHZ-INIZCTEOSA-N 2 1 278.396 2.183 20 0 CEADMP CC[C@@H](CN[C@@H](C)C1C[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000422808592 394802193 /nfs/dbraw/zinc/80/21/93/394802193.db2.gz OOJMEOUYXURZLD-KSSFIOAISA-N 2 1 287.451 2.021 20 0 CEADMP CC[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)N1CCc2ccccc2C1 ZINC000422808592 394802195 /nfs/dbraw/zinc/80/21/95/394802195.db2.gz OOJMEOUYXURZLD-KSSFIOAISA-N 2 1 287.451 2.021 20 0 CEADMP C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1c[nH+]ccc1N ZINC000422811473 394804394 /nfs/dbraw/zinc/80/43/94/394804394.db2.gz WDDBLEFPXVVKRH-AWEZNQCLSA-N 2 1 296.418 2.203 20 0 CEADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000414928199 394807851 /nfs/dbraw/zinc/80/78/51/394807851.db2.gz MQGRWQGATZTYLA-MJEQTWJJSA-N 2 1 274.408 2.140 20 0 CEADMP C[C@@H](NCC[C@H](C)[N@@H+](C)Cc1ccccc1)C1C[NH2+]C1 ZINC000422817927 394809090 /nfs/dbraw/zinc/80/90/90/394809090.db2.gz FHGMCGFRMYCZBC-LSDHHAIUSA-N 2 1 275.440 2.095 20 0 CEADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)C1 ZINC000360881957 394810256 /nfs/dbraw/zinc/81/02/56/394810256.db2.gz DQEVKFRHGMMMHC-AEFFLSMTSA-N 2 1 288.435 2.455 20 0 CEADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)C1 ZINC000360881957 394810258 /nfs/dbraw/zinc/81/02/58/394810258.db2.gz DQEVKFRHGMMMHC-AEFFLSMTSA-N 2 1 288.435 2.455 20 0 CEADMP C[N@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(F)cc1 ZINC000422820092 394810328 /nfs/dbraw/zinc/81/03/28/394810328.db2.gz OVAQOGNZDPOPCR-SJPCQFCGSA-N 2 1 291.414 2.130 20 0 CEADMP C[N@@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(F)cc1 ZINC000422820092 394810331 /nfs/dbraw/zinc/81/03/31/394810331.db2.gz OVAQOGNZDPOPCR-SJPCQFCGSA-N 2 1 291.414 2.130 20 0 CEADMP C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]1 ZINC000422822581 394812606 /nfs/dbraw/zinc/81/26/06/394812606.db2.gz KDPLNHOQZOSUHZ-OCCSQVGLSA-N 2 1 290.407 2.423 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000422825453 394813760 /nfs/dbraw/zinc/81/37/60/394813760.db2.gz AKGDJGFBFYHUCZ-LESCRADOSA-N 2 1 287.451 2.019 20 0 CEADMP C[C@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)CC[NH2+]1 ZINC000414944734 394815300 /nfs/dbraw/zinc/81/53/00/394815300.db2.gz HGMGTSVDZHEJTE-ZFWWWQNUSA-N 2 1 270.380 2.102 20 0 CEADMP C[C@H](CCN[C@H]1CCC[C@@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422832504 394817970 /nfs/dbraw/zinc/81/79/70/394817970.db2.gz XTZLJUPQLWBMMH-PVAVHDDUSA-N 2 1 275.440 2.366 20 0 CEADMP CC1([NH2+]Cc2cccc3c2OC(F)(F)O3)CC[NH2+]CC1 ZINC000414947572 394818321 /nfs/dbraw/zinc/81/83/21/394818321.db2.gz WTURIBSVAONNFG-UHFFFAOYSA-N 2 1 284.306 2.240 20 0 CEADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000414951347 394820343 /nfs/dbraw/zinc/82/03/43/394820343.db2.gz PTIYFVILIXLASJ-GXTWGEPZSA-N 2 1 278.396 2.324 20 0 CEADMP COCC1(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCC1 ZINC000361372857 394826176 /nfs/dbraw/zinc/82/61/76/394826176.db2.gz ACYGKYTZSPDUQJ-YIONKMFJSA-N 2 1 266.429 2.360 20 0 CEADMP c1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(OC2CCCC2)c1 ZINC000415047444 394862791 /nfs/dbraw/zinc/86/27/91/394862791.db2.gz YQNPKJPIVBBQRV-FVQHAEBGSA-N 2 1 272.392 2.315 20 0 CEADMP CO[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1cccc(Cl)c1 ZINC000422925155 394864154 /nfs/dbraw/zinc/86/41/54/394864154.db2.gz ZUTCFHHCOZWGAM-MELADBBJSA-N 2 1 268.788 2.497 20 0 CEADMP C[N@@H+](Cc1cccc(Oc2ccccc2)c1)C[C@H](O)C[NH3+] ZINC000415053476 394866018 /nfs/dbraw/zinc/86/60/18/394866018.db2.gz KAMOUHWGGRTFQQ-OAHLLOKOSA-N 2 1 286.375 2.230 20 0 CEADMP C[N@H+](Cc1cccc(Oc2ccccc2)c1)C[C@H](O)C[NH3+] ZINC000415053476 394866023 /nfs/dbraw/zinc/86/60/23/394866023.db2.gz KAMOUHWGGRTFQQ-OAHLLOKOSA-N 2 1 286.375 2.230 20 0 CEADMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)[NH+](CC)CC ZINC000362650562 394866368 /nfs/dbraw/zinc/86/63/68/394866368.db2.gz CFHYJZDZWBHBMC-HZPDHXFCSA-N 2 1 297.487 2.201 20 0 CEADMP C[C@@H]1C[N@H+](Cc2ccnn2-c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000415054590 394866512 /nfs/dbraw/zinc/86/65/12/394866512.db2.gz LVTRVKDUMUFCEA-RHSMWYFYSA-N 2 1 284.407 2.289 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccnn2-c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000415054590 394866515 /nfs/dbraw/zinc/86/65/15/394866515.db2.gz LVTRVKDUMUFCEA-RHSMWYFYSA-N 2 1 284.407 2.289 20 0 CEADMP Cn1c2ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc2sc1=O ZINC000415056075 394867670 /nfs/dbraw/zinc/86/76/70/394867670.db2.gz PMECKUKDXITNIV-CYBMUJFWSA-N 2 1 293.436 2.063 20 0 CEADMP CCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCOCC1 ZINC000336796026 394872534 /nfs/dbraw/zinc/87/25/34/394872534.db2.gz OWTKTSYFXJJJEY-KBPBESRZSA-N 2 1 254.418 2.266 20 0 CEADMP CC[C@H](C)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000363102509 394872800 /nfs/dbraw/zinc/87/28/00/394872800.db2.gz OGEZRSHEAHGHIZ-HOTGVXAUSA-N 2 1 267.461 2.133 20 0 CEADMP C([C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1)[NH+]1CCCCC1 ZINC000336799844 394873542 /nfs/dbraw/zinc/87/35/42/394873542.db2.gz KFGAACROOAJZDT-CVEARBPZSA-N 2 1 266.429 2.221 20 0 CEADMP C[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1c[nH+]ccc1N ZINC000422989937 394875235 /nfs/dbraw/zinc/87/52/35/394875235.db2.gz MQCLYWCVSRAFNO-ZENOOKHLSA-N 2 1 277.412 2.476 20 0 CEADMP CO[C@H]1CC[N@H+](CCCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000336805802 394877239 /nfs/dbraw/zinc/87/72/39/394877239.db2.gz RBSJPXTUWSGDJN-HIFRSBDPSA-N 2 1 265.401 2.471 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000336805802 394877242 /nfs/dbraw/zinc/87/72/42/394877242.db2.gz RBSJPXTUWSGDJN-HIFRSBDPSA-N 2 1 265.401 2.471 20 0 CEADMP CCOc1cccc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422993559 394877392 /nfs/dbraw/zinc/87/73/92/394877392.db2.gz GACOAWWZPMIKCF-XJKSGUPXSA-N 2 1 262.397 2.215 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc(N2CCCC2=O)c1 ZINC000415079085 394879365 /nfs/dbraw/zinc/87/93/65/394879365.db2.gz HMLUPHXUCSIEAP-CYBMUJFWSA-N 2 1 287.407 2.216 20 0 CEADMP Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)CCC2 ZINC000423010274 394879740 /nfs/dbraw/zinc/87/97/40/394879740.db2.gz XIENXPDEHAYREM-QLFBSQMISA-N 2 1 276.428 2.189 20 0 CEADMP CC1CCN(c2ccc(C[NH2+]C3CC[NH2+]CC3)cn2)CC1 ZINC000415082558 394880609 /nfs/dbraw/zinc/88/06/09/394880609.db2.gz LYLIELVYLAADTB-UHFFFAOYSA-N 2 1 288.439 2.160 20 0 CEADMP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1c(C)noc1C ZINC000415083813 394881416 /nfs/dbraw/zinc/88/14/16/394881416.db2.gz FTQBKFBUHOCEPP-CHWSQXEVSA-N 2 1 251.374 2.332 20 0 CEADMP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000415090550 394885829 /nfs/dbraw/zinc/88/58/29/394885829.db2.gz XXPWRGGDMKRECG-KRWDZBQOSA-N 2 1 286.423 2.394 20 0 CEADMP CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000422847279 394826546 /nfs/dbraw/zinc/82/65/46/394826546.db2.gz RBWKKLKGAVWCIB-STQMWFEESA-N 2 1 264.369 2.063 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414962816 394827105 /nfs/dbraw/zinc/82/71/05/394827105.db2.gz ZZZSJCIZSHGPGF-CJNGLKHVSA-N 2 1 284.407 2.411 20 0 CEADMP CO[C@H](C)c1nc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000422849847 394827745 /nfs/dbraw/zinc/82/77/45/394827745.db2.gz MLUCWBSAGHNHOO-WZRBSPASSA-N 2 1 283.441 2.458 20 0 CEADMP C[NH2+][C@H](C)CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000414970264 394831229 /nfs/dbraw/zinc/83/12/29/394831229.db2.gz HDEJLVSDXFEYPZ-NRSFXHEJSA-N 2 1 287.451 2.095 20 0 CEADMP CC[C@H]([NH3+])CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000414974068 394832475 /nfs/dbraw/zinc/83/24/75/394832475.db2.gz CXTGNCJECKVTMB-VSZNYVQBSA-N 3 1 287.451 2.224 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[N@H+]1C1CC1 ZINC000422858939 394833720 /nfs/dbraw/zinc/83/37/20/394833720.db2.gz GTQNIPGNHXMJPB-PEHHYFEISA-N 2 1 277.456 2.122 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CN1C1CC1 ZINC000422858939 394833722 /nfs/dbraw/zinc/83/37/22/394833722.db2.gz GTQNIPGNHXMJPB-PEHHYFEISA-N 2 1 277.456 2.122 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCn2ccnc21 ZINC000361657429 394833759 /nfs/dbraw/zinc/83/37/59/394833759.db2.gz CKANBFOHOSRNQV-TUVASFSCSA-N 2 1 276.428 2.079 20 0 CEADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)CCC2 ZINC000361663312 394834279 /nfs/dbraw/zinc/83/42/79/394834279.db2.gz TXISOJDNOUURSI-DRPJVOAASA-N 2 1 290.455 2.387 20 0 CEADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)CCC2 ZINC000361663314 394834322 /nfs/dbraw/zinc/83/43/22/394834322.db2.gz TXISOJDNOUURSI-SYAUCNOPSA-N 2 1 290.455 2.387 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@H+]1CCCC[C@@H]1C ZINC000422859729 394834612 /nfs/dbraw/zinc/83/46/12/394834612.db2.gz KEUVVOACWQLCBO-BQFCYCMXSA-N 2 1 289.467 2.409 20 0 CEADMP Cc1cc(F)ccc1CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422861365 394835254 /nfs/dbraw/zinc/83/52/54/394835254.db2.gz JGERQPUKZISMLI-ABAIWWIYSA-N 2 1 250.361 2.264 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@H+]1CCCC[C@H]1C ZINC000422859731 394835330 /nfs/dbraw/zinc/83/53/30/394835330.db2.gz KEUVVOACWQLCBO-SOLBZPMBSA-N 2 1 289.467 2.409 20 0 CEADMP C[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000422868101 394839871 /nfs/dbraw/zinc/83/98/71/394839871.db2.gz UKUIMDXTHXARAG-LVQVYYBASA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000422869523 394840463 /nfs/dbraw/zinc/84/04/63/394840463.db2.gz ANDOWDMPCNAKQW-AHCXZYCDSA-N 2 1 287.451 2.237 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000422868766 394840785 /nfs/dbraw/zinc/84/07/85/394840785.db2.gz VXIFWBLIPQXXCZ-SOLBZPMBSA-N 2 1 289.467 2.266 20 0 CEADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422874071 394842772 /nfs/dbraw/zinc/84/27/72/394842772.db2.gz CCGJYIBQLIESAJ-HUUCEWRRSA-N 2 1 275.396 2.395 20 0 CEADMP CC[N@@H+](CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+])C1CC1 ZINC000422876288 394843234 /nfs/dbraw/zinc/84/32/34/394843234.db2.gz FLMKBQZIOPKHGD-WMLDXEAASA-N 2 1 275.440 2.019 20 0 CEADMP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1OC(F)F ZINC000415001410 394843351 /nfs/dbraw/zinc/84/33/51/394843351.db2.gz CEUHMRMWQURDJC-BDAKNGLRSA-N 2 1 274.311 2.122 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C(F)(F)F)C2)CC[N@@H+]1C ZINC000336323244 394844446 /nfs/dbraw/zinc/84/44/46/394844446.db2.gz LPLUOVPLHRGHIX-VKAADOFISA-N 2 1 250.308 2.400 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C2CC(C(F)(F)F)C2)CC[N@H+]1C ZINC000336323244 394844451 /nfs/dbraw/zinc/84/44/51/394844451.db2.gz LPLUOVPLHRGHIX-VKAADOFISA-N 2 1 250.308 2.400 20 0 CEADMP COc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1OC(C)C ZINC000415005609 394845019 /nfs/dbraw/zinc/84/50/19/394845019.db2.gz JGGVCLRYXAEKLC-NWDGAFQWSA-N 2 1 266.385 2.308 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000422878692 394845795 /nfs/dbraw/zinc/84/57/95/394845795.db2.gz UCVGNYXLAVUAJM-XLNGHYISSA-N 2 1 273.424 2.119 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])CN1Cc1ccccc1 ZINC000422878692 394845797 /nfs/dbraw/zinc/84/57/97/394845797.db2.gz UCVGNYXLAVUAJM-XLNGHYISSA-N 2 1 273.424 2.119 20 0 CEADMP C[C@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422885256 394849372 /nfs/dbraw/zinc/84/93/72/394849372.db2.gz GQKMLKMJLDTARO-FZKCQIBNSA-N 2 1 267.461 2.370 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422885015 394849426 /nfs/dbraw/zinc/84/94/26/394849426.db2.gz SYWLHJVVDMSGEP-VVLHAWIVSA-N 2 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422885015 394849431 /nfs/dbraw/zinc/84/94/31/394849431.db2.gz SYWLHJVVDMSGEP-VVLHAWIVSA-N 3 1 281.488 2.332 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422885015 394849435 /nfs/dbraw/zinc/84/94/35/394849435.db2.gz SYWLHJVVDMSGEP-VVLHAWIVSA-N 3 1 281.488 2.332 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000415087037 394883904 /nfs/dbraw/zinc/88/39/04/394883904.db2.gz SYSWUYYBMCGYMT-UHFFFAOYSA-N 2 1 275.165 2.415 20 0 CEADMP CCCc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000415030545 394855042 /nfs/dbraw/zinc/85/50/42/394855042.db2.gz CQEBOGVGBCUKRH-INIZCTEOSA-N 2 1 262.397 2.107 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCC(C)(C)O3)C2)C1 ZINC000336440669 394855282 /nfs/dbraw/zinc/85/52/82/394855282.db2.gz HJSZUQPPWFRWNQ-HOCLYGCPSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CCC(C)(C)O3)C2)C1 ZINC000336440669 394855285 /nfs/dbraw/zinc/85/52/85/394855285.db2.gz HJSZUQPPWFRWNQ-HOCLYGCPSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CCC(C)(C)O3)C2)C1 ZINC000336440669 394855287 /nfs/dbraw/zinc/85/52/87/394855287.db2.gz HJSZUQPPWFRWNQ-HOCLYGCPSA-N 2 1 266.429 2.362 20 0 CEADMP FC(F)(F)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415037689 394858891 /nfs/dbraw/zinc/85/88/91/394858891.db2.gz NAQYQXZJGPVEIW-GDNZZTSVSA-N 2 1 256.271 2.013 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000422911913 394859401 /nfs/dbraw/zinc/85/94/01/394859401.db2.gz UVMGNZCOFNPOKJ-JFIYKMOQSA-N 2 1 289.467 2.485 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000422911913 394859404 /nfs/dbraw/zinc/85/94/04/394859404.db2.gz UVMGNZCOFNPOKJ-JFIYKMOQSA-N 2 1 289.467 2.485 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000422912897 394860531 /nfs/dbraw/zinc/86/05/31/394860531.db2.gz XGWFUOPPXKVDKM-IUODEOHRSA-N 2 1 250.361 2.346 20 0 CEADMP C[C@@H]([NH2+]Cc1ccccc1OC1CCC1)C1C[NH2+]C1 ZINC000422915446 394860786 /nfs/dbraw/zinc/86/07/86/394860786.db2.gz YHAUOMYBDIKWHV-GFCCVEGCSA-N 2 1 260.381 2.315 20 0 CEADMP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)OCCO2 ZINC000423339930 394890828 /nfs/dbraw/zinc/89/08/28/394890828.db2.gz XDAUHUBOIXXEOR-CYBMUJFWSA-N 2 1 276.380 2.380 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CCC23CCC3)CCOCC1 ZINC000337532690 394896851 /nfs/dbraw/zinc/89/68/51/394896851.db2.gz WDLMLOVXHGUIAI-ZDUSSCGKSA-N 2 1 252.402 2.020 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423351230 394898283 /nfs/dbraw/zinc/89/82/83/394898283.db2.gz HOWPXEBKVBNHPT-ZWKOTPCHSA-N 3 1 285.435 2.331 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423351230 394898285 /nfs/dbraw/zinc/89/82/85/394898285.db2.gz HOWPXEBKVBNHPT-ZWKOTPCHSA-N 3 1 285.435 2.331 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)CCO1 ZINC000415125519 394898305 /nfs/dbraw/zinc/89/83/05/394898305.db2.gz LJJLATDQZANCNE-APIJFGDWSA-N 2 1 254.418 2.108 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415125984 394899148 /nfs/dbraw/zinc/89/91/48/394899148.db2.gz LRWNDUSKBGJIRI-IIAWOOMASA-N 2 1 268.445 2.356 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)nc2)C[C@@H]1C[NH3+] ZINC000415125860 394899320 /nfs/dbraw/zinc/89/93/20/394899320.db2.gz LLRUZYHODTVEMA-ZBFHGGJFSA-N 2 1 288.439 2.099 20 0 CEADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415130037 394900126 /nfs/dbraw/zinc/90/01/26/394900126.db2.gz PZHYOHLQZLHVSF-SWLSCSKDSA-N 2 1 275.396 2.062 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423365698 394902634 /nfs/dbraw/zinc/90/26/34/394902634.db2.gz PKWPVRTTZVWGEV-CWVYHPPDSA-N 2 1 266.429 2.169 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1c[nH]nc1-c1ccccc1F ZINC000415140296 394902667 /nfs/dbraw/zinc/90/26/67/394902667.db2.gz YNWHXMKUEWXTST-UHFFFAOYSA-N 2 1 276.359 2.257 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1c[nH]nc1-c1ccccc1F ZINC000415140296 394902670 /nfs/dbraw/zinc/90/26/70/394902670.db2.gz YNWHXMKUEWXTST-UHFFFAOYSA-N 2 1 276.359 2.257 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000423367725 394903188 /nfs/dbraw/zinc/90/31/88/394903188.db2.gz ALPLIMHVCVSHQE-RDBSUJKOSA-N 2 1 254.418 2.312 20 0 CEADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000423367723 394903226 /nfs/dbraw/zinc/90/32/26/394903226.db2.gz ALPLIMHVCVSHQE-MGPQQGTHSA-N 2 1 254.418 2.312 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(O)cc32)CC[NH2+]1 ZINC000423371784 394904750 /nfs/dbraw/zinc/90/47/50/394904750.db2.gz FTBATJBCQJUQQY-FFSVYQOJSA-N 2 1 260.381 2.500 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423376180 394907195 /nfs/dbraw/zinc/90/71/95/394907195.db2.gz KUQANWPTBRXWEN-AEGPPILISA-N 2 1 260.381 2.110 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000423386985 394908827 /nfs/dbraw/zinc/90/88/27/394908827.db2.gz SFVQEMLUJFVUFK-WBMJQRKESA-N 2 1 287.407 2.015 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000423387645 394910691 /nfs/dbraw/zinc/91/06/91/394910691.db2.gz SSLPHJGNVQHYIR-CYBMUJFWSA-N 2 1 289.423 2.311 20 0 CEADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000423392250 394912478 /nfs/dbraw/zinc/91/24/78/394912478.db2.gz LOHICHXLUGJSKW-VCTAVGKDSA-N 2 1 263.360 2.259 20 0 CEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000423443249 394922300 /nfs/dbraw/zinc/92/23/00/394922300.db2.gz VOYMJDGPKGIXEJ-KMLBCRHOSA-N 2 1 286.297 2.454 20 0 CEADMP C[C@H](CCCC[NH3+])[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423442132 394922488 /nfs/dbraw/zinc/92/24/88/394922488.db2.gz UYWJOAQRVNVZIA-IJEWVQPXSA-N 3 1 263.429 2.052 20 0 CEADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423486082 394932645 /nfs/dbraw/zinc/93/26/45/394932645.db2.gz AZMNDHIHDUJFCI-XEZPLFJOSA-N 2 1 295.858 2.325 20 0 CEADMP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423486671 394932730 /nfs/dbraw/zinc/93/27/30/394932730.db2.gz BUZYHPFKMNMANG-GOEBONIOSA-N 2 1 278.371 2.171 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c(C)c1 ZINC000423493455 394935512 /nfs/dbraw/zinc/93/55/12/394935512.db2.gz QCAAZHLHVWUUAP-HIFRSBDPSA-N 2 1 278.396 2.033 20 0 CEADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C1 ZINC000423503324 394938592 /nfs/dbraw/zinc/93/85/92/394938592.db2.gz FLEACIDCTFZLET-BZUAXINKSA-N 2 1 267.461 2.085 20 0 CEADMP CC[N@H+]1C[C@@H](C)[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423527429 394946028 /nfs/dbraw/zinc/94/60/28/394946028.db2.gz MLTKGAYJSYGVDP-BWZWCVMUSA-N 2 1 291.483 2.070 20 0 CEADMP CCN1C[C@@H](C)[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423527429 394946029 /nfs/dbraw/zinc/94/60/29/394946029.db2.gz MLTKGAYJSYGVDP-BWZWCVMUSA-N 2 1 291.483 2.070 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H]1CCCOC1 ZINC000423533641 394947015 /nfs/dbraw/zinc/94/70/15/394947015.db2.gz UDWUGSMOFCKWDU-BSWAZPDLSA-N 2 1 274.408 2.147 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)c3ccc(Cl)cc3)C2)C1 ZINC000366547666 394947865 /nfs/dbraw/zinc/94/78/65/394947865.db2.gz AIPQOEREBPVUNE-HOTGVXAUSA-N 2 1 294.826 2.401 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)c3ccc(Cl)cc3)C2)C1 ZINC000366547666 394947868 /nfs/dbraw/zinc/94/78/68/394947868.db2.gz AIPQOEREBPVUNE-HOTGVXAUSA-N 2 1 294.826 2.401 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)c3ccc(Cl)cc3)C2)C1 ZINC000366547666 394947873 /nfs/dbraw/zinc/94/78/73/394947873.db2.gz AIPQOEREBPVUNE-HOTGVXAUSA-N 2 1 294.826 2.401 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)c3ccc(Cl)cc3)C2)C1 ZINC000366547666 394947876 /nfs/dbraw/zinc/94/78/76/394947876.db2.gz AIPQOEREBPVUNE-HOTGVXAUSA-N 2 1 294.826 2.401 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C)COC2)C[C@@H]1c1ccccc1 ZINC000340232857 394981418 /nfs/dbraw/zinc/98/14/18/394981418.db2.gz BCBYWYKBDNQGDM-JKSUJKDBSA-N 2 1 274.408 2.448 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)COC2)C[C@@H]1c1ccccc1 ZINC000340232857 394981421 /nfs/dbraw/zinc/98/14/21/394981421.db2.gz BCBYWYKBDNQGDM-JKSUJKDBSA-N 2 1 274.408 2.448 20 0 CEADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340366629 394984078 /nfs/dbraw/zinc/98/40/78/394984078.db2.gz TYLWHBXRLLZMGY-BMFZPTHFSA-N 2 1 262.397 2.446 20 0 CEADMP CO[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340366629 394984080 /nfs/dbraw/zinc/98/40/80/394984080.db2.gz TYLWHBXRLLZMGY-BMFZPTHFSA-N 2 1 262.397 2.446 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)C2CC2)C[C@H]1c1ccccc1 ZINC000340390446 394985022 /nfs/dbraw/zinc/98/50/22/394985022.db2.gz RIGYWNKOIGOTEQ-BZSNNMDCSA-N 2 1 288.435 2.430 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)C2CC2)C[C@H]1c1ccccc1 ZINC000340390446 394985025 /nfs/dbraw/zinc/98/50/25/394985025.db2.gz RIGYWNKOIGOTEQ-BZSNNMDCSA-N 2 1 288.435 2.430 20 0 CEADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cn[nH]c1 ZINC000340473040 394985980 /nfs/dbraw/zinc/98/59/80/394985980.db2.gz GCAJFWPGWUMXLP-HZSPNIEDSA-N 2 1 264.417 2.428 20 0 CEADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cn[nH]c1 ZINC000340473040 394985982 /nfs/dbraw/zinc/98/59/82/394985982.db2.gz GCAJFWPGWUMXLP-HZSPNIEDSA-N 2 1 264.417 2.428 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340506239 394986703 /nfs/dbraw/zinc/98/67/03/394986703.db2.gz JADJHSOCRCPTFM-XHSDSOJGSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340506239 394986705 /nfs/dbraw/zinc/98/67/05/394986705.db2.gz JADJHSOCRCPTFM-XHSDSOJGSA-N 2 1 295.471 2.190 20 0 CEADMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340506239 394986707 /nfs/dbraw/zinc/98/67/07/394986707.db2.gz JADJHSOCRCPTFM-XHSDSOJGSA-N 2 1 295.471 2.190 20 0 CEADMP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@@H+](C)C(C)C ZINC000415957868 394986728 /nfs/dbraw/zinc/98/67/28/394986728.db2.gz QGDQKHLNJIFDSI-UHFFFAOYSA-N 2 1 292.427 2.258 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000340514084 394987155 /nfs/dbraw/zinc/98/71/55/394987155.db2.gz GRIXNNLMDYGNOJ-RBSFLKMASA-N 2 1 266.429 2.264 20 0 CEADMP CC[N@@H+](CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2)C(C)C ZINC000415997358 394995099 /nfs/dbraw/zinc/99/50/99/394995099.db2.gz PGTIDZFLNLWFHR-UHFFFAOYSA-N 2 1 290.411 2.142 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H](O)C(F)(F)F ZINC000341375675 394999951 /nfs/dbraw/zinc/99/99/51/394999951.db2.gz UGMKRUXWAQZYEU-NWDGAFQWSA-N 2 1 282.350 2.151 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNc1nc2ccccc2n1C ZINC000342706192 395020166 /nfs/dbraw/zinc/02/01/66/395020166.db2.gz RFGAGGXRPGFEPT-CYBMUJFWSA-N 2 1 272.396 2.282 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC12CCOCC2 ZINC000367208137 394959270 /nfs/dbraw/zinc/95/92/70/394959270.db2.gz HLTABYSCZLKXIC-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC12CCOCC2 ZINC000367208137 394959274 /nfs/dbraw/zinc/95/92/74/394959274.db2.gz HLTABYSCZLKXIC-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC12CCOCC2 ZINC000367208137 394959278 /nfs/dbraw/zinc/95/92/78/394959278.db2.gz HLTABYSCZLKXIC-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP CC(C)OC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134946657 394960562 /nfs/dbraw/zinc/96/05/62/394960562.db2.gz CUVAIQIBUVQEPH-GDBMZVCRSA-N 2 1 294.439 2.277 20 0 CEADMP COCCSCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339437624 394961510 /nfs/dbraw/zinc/96/15/10/394961510.db2.gz NLNRZJUMBVPRSY-HNNXBMFYSA-N 2 1 286.485 2.174 20 0 CEADMP COCCSCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339437624 394961511 /nfs/dbraw/zinc/96/15/11/394961511.db2.gz NLNRZJUMBVPRSY-HNNXBMFYSA-N 2 1 286.485 2.174 20 0 CEADMP COCCSCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339437624 394961512 /nfs/dbraw/zinc/96/15/12/394961512.db2.gz NLNRZJUMBVPRSY-HNNXBMFYSA-N 2 1 286.485 2.174 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367599569 394966245 /nfs/dbraw/zinc/96/62/45/394966245.db2.gz WLWBFTIHVPSWLG-BSDSXHPESA-N 2 1 288.435 2.491 20 0 CEADMP CC(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367607771 394966974 /nfs/dbraw/zinc/96/69/74/394966974.db2.gz OZBYZJAZOAENCC-GVDBMIGSSA-N 2 1 279.472 2.322 20 0 CEADMP CN(C(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000367812151 394971633 /nfs/dbraw/zinc/97/16/33/394971633.db2.gz WTNGNPQZPAPOHT-BXUZGUMPSA-N 2 1 292.452 2.359 20 0 CEADMP CC[N@@H+](CCNC(=O)Nc1ccccc1C[NH2+]C)C(C)C ZINC000415913682 394976024 /nfs/dbraw/zinc/97/60/24/394976024.db2.gz QOZGFKXTDWNALB-UHFFFAOYSA-N 2 1 292.427 2.258 20 0 CEADMP CC[N@@H+](CCNC(=O)Nc1ccccc1C[NH2+]C)C1CC1 ZINC000415913191 394976200 /nfs/dbraw/zinc/97/62/00/394976200.db2.gz OYHCPQPOSJEXRS-UHFFFAOYSA-N 2 1 290.411 2.012 20 0 CEADMP C(CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)C[NH+]1CCCCC1 ZINC000372900379 395048346 /nfs/dbraw/zinc/04/83/46/395048346.db2.gz BXWBHLBTBQCYOX-KZNAEPCWSA-N 2 1 291.483 2.279 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccc(F)cc3C2)CC[N@@H+]1C ZINC000290322832 395099828 /nfs/dbraw/zinc/09/98/28/395099828.db2.gz OKKPJKGKUYIVNN-BYCMXARLSA-N 2 1 278.371 2.202 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccc(F)cc3C2)CC[N@H+]1C ZINC000290322832 395099832 /nfs/dbraw/zinc/09/98/32/395099832.db2.gz OKKPJKGKUYIVNN-BYCMXARLSA-N 2 1 278.371 2.202 20 0 CEADMP C[C@@H](O)C[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000162039686 395069237 /nfs/dbraw/zinc/06/92/37/395069237.db2.gz MJEFRQUGWKEFBM-HUUCEWRRSA-N 2 1 254.418 2.098 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C2 ZINC000425926997 395069989 /nfs/dbraw/zinc/06/99/89/395069989.db2.gz PUOZSEMXBORKMS-DOTOQJQBSA-N 2 1 288.435 2.482 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1cccc2c1NCC2 ZINC000163279573 395083658 /nfs/dbraw/zinc/08/36/58/395083658.db2.gz HWKTWCNNGFDSAF-UHFFFAOYSA-N 2 1 261.413 2.476 20 0 CEADMP COC[C@@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)C1CC1 ZINC000163544824 395084354 /nfs/dbraw/zinc/08/43/54/395084354.db2.gz AEHZTHLMSYXYMC-MRXNPFEDSA-N 2 1 289.423 2.373 20 0 CEADMP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCC[N@H+]1C ZINC000427469341 395114873 /nfs/dbraw/zinc/11/48/73/395114873.db2.gz LMWMGWYNNIIAAV-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000347511886 395125647 /nfs/dbraw/zinc/12/56/47/395125647.db2.gz CNASMTOELWPESW-QLFBSQMISA-N 2 1 297.487 2.390 20 0 CEADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCSC(C)(C)C)CC2)C1 ZINC000376763526 395129004 /nfs/dbraw/zinc/12/90/04/395129004.db2.gz GPESOQBYPKMJMT-HNNXBMFYSA-N 2 1 299.528 2.230 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000347917619 395131454 /nfs/dbraw/zinc/13/14/54/395131454.db2.gz QACYJGLZAQFVRZ-HOTGVXAUSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H](CC)CN1C(C)=O ZINC000348204450 395138434 /nfs/dbraw/zinc/13/84/34/395138434.db2.gz SOVWJTUVWZHEDZ-ZACQAIPSSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H](CC)CN1C(C)=O ZINC000348204450 395138438 /nfs/dbraw/zinc/13/84/38/395138438.db2.gz SOVWJTUVWZHEDZ-ZACQAIPSSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H](CC)CN1C(C)=O ZINC000348204450 395138440 /nfs/dbraw/zinc/13/84/40/395138440.db2.gz SOVWJTUVWZHEDZ-ZACQAIPSSA-N 2 1 295.471 2.192 20 0 CEADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H](CC)CN1C(C)=O ZINC000348204450 395138444 /nfs/dbraw/zinc/13/84/44/395138444.db2.gz SOVWJTUVWZHEDZ-ZACQAIPSSA-N 2 1 295.471 2.192 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348519427 395145654 /nfs/dbraw/zinc/14/56/54/395145654.db2.gz CPAXQVIZYMFKIY-WOPDTQHZSA-N 2 1 262.344 2.221 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000494818800 395147872 /nfs/dbraw/zinc/14/78/72/395147872.db2.gz DZLMNYORXFSWAW-GOEBONIOSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccccc2Cl)CC[N@H+]1C ZINC000348403397 395143512 /nfs/dbraw/zinc/14/35/12/395143512.db2.gz LUUVOHZYSIFGSQ-RDBSUJKOSA-N 2 1 296.842 2.488 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000349054716 395157234 /nfs/dbraw/zinc/15/72/34/395157234.db2.gz GSBUXKZQKJUQGU-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000349054716 395157237 /nfs/dbraw/zinc/15/72/37/395157237.db2.gz GSBUXKZQKJUQGU-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000349054716 395157242 /nfs/dbraw/zinc/15/72/42/395157242.db2.gz GSBUXKZQKJUQGU-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP COCc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)o1 ZINC000382496438 395182260 /nfs/dbraw/zinc/18/22/60/395182260.db2.gz PIYSIIDTRBBSNV-CQSZACIVSA-N 2 1 254.374 2.231 20 0 CEADMP COCc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)o1 ZINC000382496438 395182263 /nfs/dbraw/zinc/18/22/63/395182263.db2.gz PIYSIIDTRBBSNV-CQSZACIVSA-N 2 1 254.374 2.231 20 0 CEADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@H](C)c1c[nH+]ccc1N)CC2 ZINC000521225652 395254441 /nfs/dbraw/zinc/25/44/41/395254441.db2.gz QEDKPUYCVXTWBS-OCCSQVGLSA-N 2 1 299.422 2.480 20 0 CEADMP CC(C)[NH2+]C1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000182890791 395249801 /nfs/dbraw/zinc/24/98/01/395249801.db2.gz AOQGWDDAJFFQOC-IRXDYDNUSA-N 2 1 274.408 2.107 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CO)CC3(CCC3)C2)[C@@H](C)C1 ZINC000433060650 395194358 /nfs/dbraw/zinc/19/43/58/395194358.db2.gz ZQECQYVBYCYQEV-LSDHHAIUSA-N 2 1 280.456 2.249 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1cccs1 ZINC000519684000 395207186 /nfs/dbraw/zinc/20/71/86/395207186.db2.gz NHEALWNLPUUUCQ-STQMWFEESA-N 2 1 268.426 2.198 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1cccs1 ZINC000519684000 395207192 /nfs/dbraw/zinc/20/71/92/395207192.db2.gz NHEALWNLPUUUCQ-STQMWFEESA-N 2 1 268.426 2.198 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000519684000 395207196 /nfs/dbraw/zinc/20/71/96/395207196.db2.gz NHEALWNLPUUUCQ-STQMWFEESA-N 2 1 268.426 2.198 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000519684000 395207199 /nfs/dbraw/zinc/20/71/99/395207199.db2.gz NHEALWNLPUUUCQ-STQMWFEESA-N 2 1 268.426 2.198 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1cccs1 ZINC000519683999 395207421 /nfs/dbraw/zinc/20/74/21/395207421.db2.gz NHEALWNLPUUUCQ-QWHCGFSZSA-N 2 1 268.426 2.198 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1cccs1 ZINC000519683999 395207425 /nfs/dbraw/zinc/20/74/25/395207425.db2.gz NHEALWNLPUUUCQ-QWHCGFSZSA-N 2 1 268.426 2.198 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000519683999 395207431 /nfs/dbraw/zinc/20/74/31/395207431.db2.gz NHEALWNLPUUUCQ-QWHCGFSZSA-N 2 1 268.426 2.198 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000519683999 395207435 /nfs/dbraw/zinc/20/74/35/395207435.db2.gz NHEALWNLPUUUCQ-QWHCGFSZSA-N 2 1 268.426 2.198 20 0 CEADMP C(C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000438201544 395211463 /nfs/dbraw/zinc/21/14/63/395211463.db2.gz MGJNGHISDJXHDV-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP C(C[C@@H]1CCOC1)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000438201544 395211467 /nfs/dbraw/zinc/21/14/67/395211467.db2.gz MGJNGHISDJXHDV-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000519710318 395212649 /nfs/dbraw/zinc/21/26/49/395212649.db2.gz XYNCGTJXJVWSGJ-FUHWJXTLSA-N 2 1 290.451 2.405 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000519710318 395212651 /nfs/dbraw/zinc/21/26/51/395212651.db2.gz XYNCGTJXJVWSGJ-FUHWJXTLSA-N 2 1 290.451 2.405 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000519710318 395212653 /nfs/dbraw/zinc/21/26/53/395212653.db2.gz XYNCGTJXJVWSGJ-FUHWJXTLSA-N 2 1 290.451 2.405 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000519710318 395212658 /nfs/dbraw/zinc/21/26/58/395212658.db2.gz XYNCGTJXJVWSGJ-FUHWJXTLSA-N 2 1 290.451 2.405 20 0 CEADMP C[NH+]1CCC([NH2+]CCc2cc(C(F)(F)F)ccn2)CC1 ZINC000293050790 395215837 /nfs/dbraw/zinc/21/58/37/395215837.db2.gz TVMHSEQDBSYHHS-UHFFFAOYSA-N 2 1 287.329 2.327 20 0 CEADMP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396563245 395216272 /nfs/dbraw/zinc/21/62/72/395216272.db2.gz IVQXBWZRNWTRJC-JMSVASOKSA-N 2 1 250.361 2.487 20 0 CEADMP CC(C)n1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cn1 ZINC000397299528 395220670 /nfs/dbraw/zinc/22/06/70/395220670.db2.gz CZAZCKNIMBHHNH-IPYPFGDCSA-N 2 1 264.417 2.269 20 0 CEADMP CC(C)n1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cn1 ZINC000397299528 395220674 /nfs/dbraw/zinc/22/06/74/395220674.db2.gz CZAZCKNIMBHHNH-IPYPFGDCSA-N 2 1 264.417 2.269 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000397321231 395222439 /nfs/dbraw/zinc/22/24/39/395222439.db2.gz BFHOTGSRNZFTCG-DVOMOZLQSA-N 2 1 274.408 2.427 20 0 CEADMP FC(F)(F)CCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420324414 395327690 /nfs/dbraw/zinc/32/76/90/395327690.db2.gz ZRAQIBNMHLFINJ-GHMZBOCLSA-N 2 1 250.308 2.260 20 0 CEADMP CO[C@@H]1CCC[C@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000353138285 395288008 /nfs/dbraw/zinc/28/80/08/395288008.db2.gz YZBAPRNRRYCMFV-SWLSCSKDSA-N 2 1 263.385 2.052 20 0 CEADMP COc1ccc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1O ZINC000420322123 395325576 /nfs/dbraw/zinc/32/55/76/395325576.db2.gz SBDIEGLFQWWCNG-CYBMUJFWSA-N 2 1 278.396 2.222 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCS2)[C@H]2CCC[C@H]21 ZINC000353395981 395297264 /nfs/dbraw/zinc/29/72/64/395297264.db2.gz SFSYEDGQOJXVGD-RFQIPJPRSA-N 2 1 254.443 2.344 20 0 CEADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353531145 395300083 /nfs/dbraw/zinc/30/00/83/395300083.db2.gz VCZCCLXYURSEGW-LVQVYYBASA-N 2 1 268.445 2.246 20 0 CEADMP CC(C)[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000440116192 395300963 /nfs/dbraw/zinc/30/09/63/395300963.db2.gz DQPBQJLMROFMPG-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440116192 395300967 /nfs/dbraw/zinc/30/09/67/395300967.db2.gz DQPBQJLMROFMPG-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP CC(C)[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440116192 395300972 /nfs/dbraw/zinc/30/09/72/395300972.db2.gz DQPBQJLMROFMPG-MRXNPFEDSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H]1CCCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420295430 395302294 /nfs/dbraw/zinc/30/22/94/395302294.db2.gz AICKNWLQBZVVGH-ULQDDVLXSA-N 2 1 276.424 2.182 20 0 CEADMP CC[C@H]1CCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420295430 395302299 /nfs/dbraw/zinc/30/22/99/395302299.db2.gz AICKNWLQBZVVGH-ULQDDVLXSA-N 2 1 276.424 2.182 20 0 CEADMP COCC[N@@H+](CC(C)C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420296495 395302655 /nfs/dbraw/zinc/30/26/55/395302655.db2.gz CBBHYDGVYWDYSX-INIZCTEOSA-N 2 1 294.439 2.342 20 0 CEADMP COc1ccccc1[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420299630 395305661 /nfs/dbraw/zinc/30/56/61/395305661.db2.gz JCQTVHOFGHDQJJ-HUUCEWRRSA-N 2 1 274.408 2.484 20 0 CEADMP CO[C@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C(F)(F)F ZINC000353682548 395305698 /nfs/dbraw/zinc/30/56/98/395305698.db2.gz OCTKNWLOYQZDMZ-FVCCEPFGSA-N 2 1 294.361 2.416 20 0 CEADMP COc1ccccc1[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420299627 395305796 /nfs/dbraw/zinc/30/57/96/395305796.db2.gz JCQTVHOFGHDQJJ-GJZGRUSLSA-N 2 1 274.408 2.484 20 0 CEADMP CC(C)(C)C[N@@H+](CCCO)CC[C@H]1CCC[NH2+]C1 ZINC000420302106 395308289 /nfs/dbraw/zinc/30/82/89/395308289.db2.gz MDACMNYYSGYWQP-CQSZACIVSA-N 2 1 256.434 2.107 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@H]21 ZINC000420304046 395309384 /nfs/dbraw/zinc/30/93/84/395309384.db2.gz IJPNIWVMMLCFKW-LXTVHRRPSA-N 2 1 252.402 2.005 20 0 CEADMP C[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)[C@H]1c1cccc(F)c1 ZINC000420304457 395309674 /nfs/dbraw/zinc/30/96/74/395309674.db2.gz ONPJBORGNQQGCH-WMLDXEAASA-N 2 1 291.414 2.114 20 0 CEADMP C[C@@H](O)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000420304435 395309870 /nfs/dbraw/zinc/30/98/70/395309870.db2.gz OMCCMMLCTKXXCN-CABCVRRESA-N 2 1 268.445 2.392 20 0 CEADMP CCOC[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420307660 395313347 /nfs/dbraw/zinc/31/33/47/395313347.db2.gz RQJJFQYXZQNKGN-GJZGRUSLSA-N 2 1 254.418 2.125 20 0 CEADMP CO[C@]1(C)C[C@@H]([N@@H+](C)CC[C@@H]2CC[NH2+]C2)C1(C)C ZINC000420312907 395316643 /nfs/dbraw/zinc/31/66/43/395316643.db2.gz XOOZXEKRILDMPM-GZBFAFLISA-N 2 1 254.418 2.121 20 0 CEADMP Cc1nccn1C[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420321731 395323175 /nfs/dbraw/zinc/32/31/75/395323175.db2.gz RODFZXCXKVYCMR-HOTGVXAUSA-N 2 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420321731 395323178 /nfs/dbraw/zinc/32/31/78/395323178.db2.gz RODFZXCXKVYCMR-HOTGVXAUSA-N 3 1 276.428 2.046 20 0 CEADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420321731 395323185 /nfs/dbraw/zinc/32/31/85/395323185.db2.gz RODFZXCXKVYCMR-HOTGVXAUSA-N 3 1 276.428 2.046 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC1(C[NH+](C)C)CCCC1 ZINC000183955990 395268527 /nfs/dbraw/zinc/26/85/27/395268527.db2.gz UJLDGFLYTKZJBL-BZUAXINKSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183955990 395268533 /nfs/dbraw/zinc/26/85/33/395268533.db2.gz UJLDGFLYTKZJBL-BZUAXINKSA-N 3 1 281.488 2.427 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183955990 395268541 /nfs/dbraw/zinc/26/85/41/395268541.db2.gz UJLDGFLYTKZJBL-BZUAXINKSA-N 3 1 281.488 2.427 20 0 CEADMP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CCOCC[NH3+] ZINC000420366468 395353490 /nfs/dbraw/zinc/35/34/90/395353490.db2.gz FWLPQWAHTFWTFU-HOCLYGCPSA-N 2 1 292.423 2.444 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000191407885 395358337 /nfs/dbraw/zinc/35/83/37/395358337.db2.gz WNDMXFSUZKQATJ-INIZCTEOSA-N 2 1 267.461 2.277 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000420375747 395360214 /nfs/dbraw/zinc/36/02/14/395360214.db2.gz PQUFDBQGDVXTQH-CYBMUJFWSA-N 2 1 298.814 2.159 20 0 CEADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000420378970 395364058 /nfs/dbraw/zinc/36/40/58/395364058.db2.gz UUYCTYJKJVGPBF-LLVKDONJSA-N 2 1 290.333 2.148 20 0 CEADMP C[NH2+]CCC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000420378970 395364062 /nfs/dbraw/zinc/36/40/62/395364062.db2.gz UUYCTYJKJVGPBF-LLVKDONJSA-N 2 1 290.333 2.148 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420379276 395364233 /nfs/dbraw/zinc/36/42/33/395364233.db2.gz MZEQKTMPEGOLAV-FXUDXRNXSA-N 2 1 295.471 2.083 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420379276 395364238 /nfs/dbraw/zinc/36/42/38/395364238.db2.gz MZEQKTMPEGOLAV-FXUDXRNXSA-N 2 1 295.471 2.083 20 0 CEADMP CC(C)COCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420393112 395367867 /nfs/dbraw/zinc/36/78/67/395367867.db2.gz JNJUXKRSQTWTRG-GJZGRUSLSA-N 2 1 254.418 2.123 20 0 CEADMP c1ccc([C@@H]2CNCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420402142 395371443 /nfs/dbraw/zinc/37/14/43/395371443.db2.gz JRUNPCDGAFKLJZ-RDJZCZTQSA-N 2 1 273.424 2.023 20 0 CEADMP c1ccc([C@@H]2C[NH2+]CCN2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420402142 395371446 /nfs/dbraw/zinc/37/14/46/395371446.db2.gz JRUNPCDGAFKLJZ-RDJZCZTQSA-N 2 1 273.424 2.023 20 0 CEADMP FC(F)(F)CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420406968 395373160 /nfs/dbraw/zinc/37/31/60/395373160.db2.gz UZHWYCVAIHUHMI-QWRGUYRKSA-N 2 1 250.308 2.403 20 0 CEADMP FC(F)(F)COCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420408862 395374690 /nfs/dbraw/zinc/37/46/90/395374690.db2.gz WJHFZNUTLRAXQH-NEPJUHHUSA-N 2 1 280.334 2.029 20 0 CEADMP FC(F)(F)COCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420408862 395374692 /nfs/dbraw/zinc/37/46/92/395374692.db2.gz WJHFZNUTLRAXQH-NEPJUHHUSA-N 2 1 280.334 2.029 20 0 CEADMP C[C@H]1CC[N@@H+](CCOc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000420416788 395376006 /nfs/dbraw/zinc/37/60/06/395376006.db2.gz VWAGNUWGJXQOOM-STQMWFEESA-N 2 1 266.360 2.121 20 0 CEADMP C[N@@H+](CCC(=O)NCC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435626901 395380532 /nfs/dbraw/zinc/38/05/32/395380532.db2.gz PWWWBOLYLDIUJR-MRXNPFEDSA-N 2 1 295.471 2.147 20 0 CEADMP CCc1csc([C@H]2CCC[N@H+](CCC[NH2+]C)C2)n1 ZINC000435883812 395394015 /nfs/dbraw/zinc/39/40/15/395394015.db2.gz BMIPBSMUKWJGMI-LBPRGKRZSA-N 2 1 267.442 2.494 20 0 CEADMP CCc1csc([C@H]2CCC[N@@H+](CCC[NH2+]C)C2)n1 ZINC000435883812 395394019 /nfs/dbraw/zinc/39/40/19/395394019.db2.gz BMIPBSMUKWJGMI-LBPRGKRZSA-N 2 1 267.442 2.494 20 0 CEADMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420327829 395329268 /nfs/dbraw/zinc/32/92/68/395329268.db2.gz YXSCMUFQJYUVAK-NUEKZKHPSA-N 2 1 292.423 2.237 20 0 CEADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420327829 395329272 /nfs/dbraw/zinc/32/92/72/395329272.db2.gz YXSCMUFQJYUVAK-NUEKZKHPSA-N 2 1 292.423 2.237 20 0 CEADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000420350539 395339252 /nfs/dbraw/zinc/33/92/52/395339252.db2.gz TVNRKFDDIBPVFF-ZACQAIPSSA-N 2 1 279.472 2.182 20 0 CEADMP Fc1ccc2c(c1)C[N@H+](CC[C@@H]1CCC[NH2+]C1)CCO2 ZINC000420354228 395342191 /nfs/dbraw/zinc/34/21/91/395342191.db2.gz CNTKHXVJOFWYEE-ZDUSSCGKSA-N 2 1 278.371 2.410 20 0 CEADMP COc1ccc(OCCC[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420362848 395350170 /nfs/dbraw/zinc/35/01/70/395350170.db2.gz IZRVCUNFYQSHPJ-JKIFEVAISA-N 2 1 292.423 2.440 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2ncsc2C1 ZINC000445871375 395473329 /nfs/dbraw/zinc/47/33/29/395473329.db2.gz KZFMICVXATWLBD-UHFFFAOYSA-N 2 1 276.409 2.487 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2ncsc2C1 ZINC000445871375 395473332 /nfs/dbraw/zinc/47/33/32/395473332.db2.gz KZFMICVXATWLBD-UHFFFAOYSA-N 2 1 276.409 2.487 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1coc(C[NH3+])c1 ZINC000444171084 395419610 /nfs/dbraw/zinc/41/96/10/395419610.db2.gz OUMGCFVFKNCYGL-AWEZNQCLSA-N 2 1 293.411 2.123 20 0 CEADMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000444301583 395425994 /nfs/dbraw/zinc/42/59/94/395425994.db2.gz FRZMBFWLTUEBES-KBXIAJHMSA-N 2 1 293.455 2.014 20 0 CEADMP C[C@H](C(=O)N[C@@H](C)C1=CC[NH+](C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444301584 395426319 /nfs/dbraw/zinc/42/63/19/395426319.db2.gz FRZMBFWLTUEBES-LJISPDSOSA-N 2 1 293.455 2.014 20 0 CEADMP C[C@H](C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444301584 395426325 /nfs/dbraw/zinc/42/63/25/395426325.db2.gz FRZMBFWLTUEBES-LJISPDSOSA-N 2 1 293.455 2.014 20 0 CEADMP C[C@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444301584 395426328 /nfs/dbraw/zinc/42/63/28/395426328.db2.gz FRZMBFWLTUEBES-LJISPDSOSA-N 2 1 293.455 2.014 20 0 CEADMP C=Cn1cc(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000194214689 395428556 /nfs/dbraw/zinc/42/85/56/395428556.db2.gz LCUFSQBDCKEAGV-GASCZTMLSA-N 2 1 276.428 2.441 20 0 CEADMP C=Cn1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000194214689 395428558 /nfs/dbraw/zinc/42/85/58/395428558.db2.gz LCUFSQBDCKEAGV-GASCZTMLSA-N 2 1 276.428 2.441 20 0 CEADMP C=Cn1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000194214689 395428561 /nfs/dbraw/zinc/42/85/61/395428561.db2.gz LCUFSQBDCKEAGV-GASCZTMLSA-N 2 1 276.428 2.441 20 0 CEADMP C[C@@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000355408099 395439670 /nfs/dbraw/zinc/43/96/70/395439670.db2.gz HOYGUXOLFUQVOG-XHSDSOJGSA-N 2 1 295.471 2.096 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000444624700 395442028 /nfs/dbraw/zinc/44/20/28/395442028.db2.gz XQILPEGDTUFKNC-CQSZACIVSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000566219501 395506189 /nfs/dbraw/zinc/50/61/89/395506189.db2.gz DJNQCEWGZOXEPX-MGPQQGTHSA-N 2 1 292.448 2.470 20 0 CEADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)C1CCOCC1 ZINC000566415713 395519943 /nfs/dbraw/zinc/51/99/43/395519943.db2.gz INIHZHRCTXWOCX-OAHLLOKOSA-N 2 1 265.401 2.148 20 0 CEADMP OC1(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CCC1 ZINC000567891373 395539738 /nfs/dbraw/zinc/53/97/38/395539738.db2.gz CEIJJBUACJIPHI-CQSZACIVSA-N 2 1 294.464 2.465 20 0 CEADMP OC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCC1 ZINC000567891373 395539741 /nfs/dbraw/zinc/53/97/41/395539741.db2.gz CEIJJBUACJIPHI-CQSZACIVSA-N 2 1 294.464 2.465 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CC(C)(C)C ZINC000565549708 395476578 /nfs/dbraw/zinc/47/65/78/395476578.db2.gz OUXLPJFJMDQCLF-UONOGXRCSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000565549708 395476581 /nfs/dbraw/zinc/47/65/81/395476581.db2.gz OUXLPJFJMDQCLF-UONOGXRCSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000565549708 395476584 /nfs/dbraw/zinc/47/65/84/395476584.db2.gz OUXLPJFJMDQCLF-UONOGXRCSA-N 2 1 256.434 2.200 20 0 CEADMP COC[C@@]1(C[NH2+][C@@H](C)Cc2ccsc2)CCC[NH2+]1 ZINC000565762937 395483276 /nfs/dbraw/zinc/48/32/76/395483276.db2.gz ZAQMNEDOYMEIFZ-JSGCOSHPSA-N 2 1 268.426 2.037 20 0 CEADMP CC1(C)CCC[N@@H+](CCN[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000446840069 395500051 /nfs/dbraw/zinc/50/00/51/395500051.db2.gz XBVIXLHHLJKBLM-CVEARBPZSA-N 2 1 279.472 2.325 20 0 CEADMP CC1(C)CCC[NH+](CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000446840069 395500053 /nfs/dbraw/zinc/50/00/53/395500053.db2.gz XBVIXLHHLJKBLM-CVEARBPZSA-N 2 1 279.472 2.325 20 0 CEADMP CC1(C)CCC[NH+](CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000446840069 395500055 /nfs/dbraw/zinc/50/00/55/395500055.db2.gz XBVIXLHHLJKBLM-CVEARBPZSA-N 2 1 279.472 2.325 20 0 CEADMP CC(C)C[C@]1(C)CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000451287144 395603378 /nfs/dbraw/zinc/60/33/78/395603378.db2.gz FNTSUXRRHQYBPO-KRWDZBQOSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[C@]1(C)CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000451287144 395603380 /nfs/dbraw/zinc/60/33/80/395603380.db2.gz FNTSUXRRHQYBPO-KRWDZBQOSA-N 2 1 295.471 2.051 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@H]2C)[C@H](C)C1 ZINC000451140067 395585313 /nfs/dbraw/zinc/58/53/13/395585313.db2.gz TWNVCJKTAPNWMT-JSRQGNBESA-N 2 1 298.471 2.279 20 0 CEADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1c(F)cncc1F ZINC000573814418 395619674 /nfs/dbraw/zinc/61/96/74/395619674.db2.gz REUHDOOLDQFGRS-SNVBAGLBSA-N 2 1 280.322 2.377 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1cccc(F)c1 ZINC000574051185 395625797 /nfs/dbraw/zinc/62/57/97/395625797.db2.gz QYPHPQUXLJSBCA-AAEUAGOBSA-N 2 1 252.333 2.016 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1cccc(F)c1 ZINC000574051185 395625798 /nfs/dbraw/zinc/62/57/98/395625798.db2.gz QYPHPQUXLJSBCA-AAEUAGOBSA-N 2 1 252.333 2.016 20 0 CEADMP CN(C)Cc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000574339673 395628495 /nfs/dbraw/zinc/62/84/95/395628495.db2.gz UYVACWZWZWLOQY-LSDHHAIUSA-N 2 1 279.403 2.247 20 0 CEADMP Cc1cnc(C)nc1NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000574770676 395637338 /nfs/dbraw/zinc/63/73/38/395637338.db2.gz KVOKSZGBVZUUAU-DGCLKSJQSA-N 2 1 262.401 2.048 20 0 CEADMP Cn1cncc1CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000574819991 395638239 /nfs/dbraw/zinc/63/82/39/395638239.db2.gz LJOOMDAXMNOPMQ-MRXNPFEDSA-N 2 1 290.455 2.161 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000574904587 395640650 /nfs/dbraw/zinc/64/06/50/395640650.db2.gz JOEHFIRRWRPNHI-CYBMUJFWSA-N 2 1 291.374 2.014 20 0 CEADMP CC(C)[N@H+](C)CC1CC[NH+](CN2CC(C)(C)OC2=O)CC1 ZINC000494001804 395678451 /nfs/dbraw/zinc/67/84/51/395678451.db2.gz HYYQWDBKSZGOHQ-UHFFFAOYSA-N 2 1 297.443 2.227 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2CC(C)(C)OC2=O)CC1 ZINC000494001804 395678452 /nfs/dbraw/zinc/67/84/52/395678452.db2.gz HYYQWDBKSZGOHQ-UHFFFAOYSA-N 2 1 297.443 2.227 20 0 CEADMP CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000647336108 395704882 /nfs/dbraw/zinc/70/48/82/395704882.db2.gz MGWYTYOIKGDLGW-XQLPTFJDSA-N 2 1 256.434 2.103 20 0 CEADMP c1cc2c(c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c1)OCO2 ZINC000647480942 395720307 /nfs/dbraw/zinc/72/03/07/395720307.db2.gz DYQNUZDMCGHPEV-ZFWWWQNUSA-N 2 1 288.391 2.379 20 0 CEADMP c1cc2c(c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c1)OCO2 ZINC000647480942 395720309 /nfs/dbraw/zinc/72/03/09/395720309.db2.gz DYQNUZDMCGHPEV-ZFWWWQNUSA-N 2 1 288.391 2.379 20 0 CEADMP Cn1cc(C[N@H+](C)CCC[NH3+])c(C2CCCCC2)n1 ZINC000647497017 395721716 /nfs/dbraw/zinc/72/17/16/395721716.db2.gz SVYRKJJMJJFSMP-UHFFFAOYSA-N 2 1 264.417 2.248 20 0 CEADMP Cn1cc(C[N@@H+](C)CCC[NH3+])c(C2CCCCC2)n1 ZINC000647497017 395721718 /nfs/dbraw/zinc/72/17/18/395721718.db2.gz SVYRKJJMJJFSMP-UHFFFAOYSA-N 2 1 264.417 2.248 20 0 CEADMP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)nc1 ZINC000647496526 395721835 /nfs/dbraw/zinc/72/18/35/395721835.db2.gz QVGLQPXRRYZSII-STQMWFEESA-N 2 1 263.385 2.040 20 0 CEADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)nc1 ZINC000647496526 395721838 /nfs/dbraw/zinc/72/18/38/395721838.db2.gz QVGLQPXRRYZSII-STQMWFEESA-N 2 1 263.385 2.040 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCCOC)cc2)CC[C@@H]1[NH3+] ZINC000647499112 395722767 /nfs/dbraw/zinc/72/27/67/395722767.db2.gz ZSSXFGZXAFOHHC-WBVHZDCISA-N 2 1 292.423 2.271 20 0 CEADMP CC[C@H]1C[N@H+](Cc2sccc2OC)CC[C@H]1[NH3+] ZINC000647499063 395722881 /nfs/dbraw/zinc/72/28/81/395722881.db2.gz YNHIEKHAUIPARG-WDEREUQCSA-N 2 1 254.399 2.316 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2sccc2OC)CC[C@H]1[NH3+] ZINC000647499063 395722883 /nfs/dbraw/zinc/72/28/83/395722883.db2.gz YNHIEKHAUIPARG-WDEREUQCSA-N 2 1 254.399 2.316 20 0 CEADMP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccncc1 ZINC000647284672 395697355 /nfs/dbraw/zinc/69/73/55/395697355.db2.gz ZFOLWYAZQCFYDU-IAGOWNOFSA-N 2 1 291.439 2.215 20 0 CEADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc2cnccc21 ZINC000647508406 395723577 /nfs/dbraw/zinc/72/35/77/395723577.db2.gz MNOHIHONKSMKHA-CHWSQXEVSA-N 2 1 255.365 2.404 20 0 CEADMP Cc1[nH]c2nc[nH+]c(N3CCC4(CC[NH2+]C4)CC3)c2c1C ZINC000647708464 395747339 /nfs/dbraw/zinc/74/73/39/395747339.db2.gz NANJPMFXYSXPJI-UHFFFAOYSA-N 2 1 285.395 2.155 20 0 CEADMP CN(C)CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(C)(C)C ZINC000647786315 395754540 /nfs/dbraw/zinc/75/45/40/395754540.db2.gz MRLXLXUEMHFFOY-JJXSEGSLSA-N 2 1 281.488 2.331 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647790363 395755098 /nfs/dbraw/zinc/75/50/98/395755098.db2.gz WVKLJQUITSOUPO-XMTFNYHQSA-N 3 1 293.499 2.476 20 0 CEADMP CN(C)CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000647795348 395756175 /nfs/dbraw/zinc/75/61/75/395756175.db2.gz NZXIKCLYGQIETM-ARFHVFGLSA-N 2 1 279.472 2.086 20 0 CEADMP COc1ccccc1C1([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000647802090 395758037 /nfs/dbraw/zinc/75/80/37/395758037.db2.gz FVRPBJZPQISRTF-CYBMUJFWSA-N 2 1 260.381 2.416 20 0 CEADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000647936718 395779640 /nfs/dbraw/zinc/77/96/40/395779640.db2.gz KHDWPOXNKBRUPN-SWLSCSKDSA-N 2 1 293.386 2.214 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCc2ccccc21 ZINC000647957941 395784942 /nfs/dbraw/zinc/78/49/42/395784942.db2.gz XBDRHCZETGCYFU-DOTOQJQBSA-N 2 1 276.424 2.307 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCc2ccccc21 ZINC000647957941 395784946 /nfs/dbraw/zinc/78/49/46/395784946.db2.gz XBDRHCZETGCYFU-DOTOQJQBSA-N 2 1 276.424 2.307 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000647957941 395784948 /nfs/dbraw/zinc/78/49/48/395784948.db2.gz XBDRHCZETGCYFU-DOTOQJQBSA-N 2 1 276.424 2.307 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000647957941 395784952 /nfs/dbraw/zinc/78/49/52/395784952.db2.gz XBDRHCZETGCYFU-DOTOQJQBSA-N 2 1 276.424 2.307 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647859060 395764979 /nfs/dbraw/zinc/76/49/79/395764979.db2.gz WKZLNVOJXGYXGI-OAHLLOKOSA-N 3 1 255.450 2.071 20 0 CEADMP Fc1ccc(C[C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647881124 395768191 /nfs/dbraw/zinc/76/81/91/395768191.db2.gz COFDHZZJMQEYQD-GDBMZVCRSA-N 2 1 262.372 2.442 20 0 CEADMP COC1(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)CCCCC1 ZINC000648072151 395825973 /nfs/dbraw/zinc/82/59/73/395825973.db2.gz OWMLBXOBYKOOKO-UHFFFAOYSA-N 2 1 296.455 2.132 20 0 CEADMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)on1 ZINC000647977393 395794293 /nfs/dbraw/zinc/79/42/93/395794293.db2.gz AQEHWXIFXACTQG-ZIAGYGMSSA-N 2 1 263.385 2.195 20 0 CEADMP CC[C@@H](C[NH2+][C@@H]1CCO[C@H](CC)C1)[NH+]1CCCC1 ZINC000648417471 395905431 /nfs/dbraw/zinc/90/54/31/395905431.db2.gz ZOENNULPGIPHPS-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)CCO1 ZINC000648438445 395908664 /nfs/dbraw/zinc/90/86/64/395908664.db2.gz JMFURLDKDNHONM-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1[C@H](C(=O)NCCCC[NH+]2CCCC[C@H]2C)CC[N@H+]1C ZINC000648736159 395970472 /nfs/dbraw/zinc/97/04/72/395970472.db2.gz KOAXWPKOMUGOKM-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1[C@H](C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000648736159 395970474 /nfs/dbraw/zinc/97/04/74/395970474.db2.gz KOAXWPKOMUGOKM-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1[C@H](C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000648736159 395970477 /nfs/dbraw/zinc/97/04/77/395970477.db2.gz KOAXWPKOMUGOKM-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000648763898 395977969 /nfs/dbraw/zinc/97/79/69/395977969.db2.gz NUWXJJXCNDCIAH-UONOGXRCSA-N 2 1 294.443 2.243 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000648763898 395977972 /nfs/dbraw/zinc/97/79/72/395977972.db2.gz NUWXJJXCNDCIAH-UONOGXRCSA-N 2 1 294.443 2.243 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CCO1 ZINC000648871187 396006405 /nfs/dbraw/zinc/00/64/05/396006405.db2.gz YXRCDNMVKWYSKC-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP CC[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)CCO1 ZINC000648871187 396006410 /nfs/dbraw/zinc/00/64/10/396006410.db2.gz YXRCDNMVKWYSKC-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP CCc1ccc2[nH+]ccc(N[C@@H](C)[C@H]3C[N@H+](C)CCO3)c2c1 ZINC000649304604 396117604 /nfs/dbraw/zinc/11/76/04/396117604.db2.gz LSJUGTZHXRGFIU-SCLBCKFNSA-N 2 1 299.418 2.350 20 0 CEADMP CCc1ccc2[nH+]ccc(N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)c2c1 ZINC000649304604 396117607 /nfs/dbraw/zinc/11/76/07/396117607.db2.gz LSJUGTZHXRGFIU-SCLBCKFNSA-N 2 1 299.418 2.350 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3[NH2+]CC3(C)C)c2C1 ZINC000649313019 396119151 /nfs/dbraw/zinc/11/91/51/396119151.db2.gz YMQAIMZQBCBVGY-OAHLLOKOSA-N 2 1 287.407 2.349 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3[NH2+]CC3(C)C)c2C1 ZINC000649313019 396119153 /nfs/dbraw/zinc/11/91/53/396119153.db2.gz YMQAIMZQBCBVGY-OAHLLOKOSA-N 2 1 287.407 2.349 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC34CCC(CC3)C4)CC2)C1 ZINC000649382176 396135569 /nfs/dbraw/zinc/13/55/69/396135569.db2.gz ROOSFDOXWNUHTO-LXPRWKDFSA-N 2 1 291.483 2.279 20 0 CEADMP C([C@@H]1CC[NH2+]C1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000649411776 396146366 /nfs/dbraw/zinc/14/63/66/396146366.db2.gz AUJPGOMEKDVFAQ-QGZVFWFLSA-N 2 1 279.472 2.184 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000649418035 396149423 /nfs/dbraw/zinc/14/94/23/396149423.db2.gz VXRRPLNPJULRKH-IRXDYDNUSA-N 2 1 290.455 2.212 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000649545468 396183619 /nfs/dbraw/zinc/18/36/19/396183619.db2.gz GWFPWIDBWOOFNK-HRCADAONSA-N 2 1 268.445 2.201 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000649545467 396183727 /nfs/dbraw/zinc/18/37/27/396183727.db2.gz GWFPWIDBWOOFNK-ARFHVFGLSA-N 2 1 268.445 2.201 20 0 CEADMP Cc1cccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646102407 396294184 /nfs/dbraw/zinc/29/41/84/396294184.db2.gz IRLWGFGZXYYDHB-UHFFFAOYSA-N 2 1 274.408 2.292 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647174985 396429691 /nfs/dbraw/zinc/42/96/91/396429691.db2.gz SWSQIEKYIFCWHZ-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647174985 396429693 /nfs/dbraw/zinc/42/96/93/396429693.db2.gz SWSQIEKYIFCWHZ-OAHLLOKOSA-N 2 1 299.422 2.089 20 0 CEADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249138 396450163 /nfs/dbraw/zinc/45/01/63/396450163.db2.gz DPJLNEDXVZUPFQ-PQEBFOHHSA-N 2 1 274.408 2.099 20 0 CEADMP COC1(C[C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000372990554 292127425 /nfs/dbraw/zinc/12/74/25/292127425.db2.gz OVQZRHZXLNSVLB-STQMWFEESA-N 2 1 263.385 2.135 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000335061852 296576893 /nfs/dbraw/zinc/57/68/93/296576893.db2.gz YJSLTWXDIFWUAC-UKRRQHHQSA-N 3 1 267.461 2.227 20 0 CEADMP Cc1csc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)n1 ZINC000386375133 400526686 /nfs/dbraw/zinc/52/66/86/400526686.db2.gz BZARSFGQMJMECM-VXGBXAGGSA-N 2 1 253.415 2.114 20 0 CEADMP CC[C@@H]1CCC[C@H](C[N@@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000394578118 400550237 /nfs/dbraw/zinc/55/02/37/400550237.db2.gz TVJAKSNXAUQAQZ-CVEARBPZSA-N 2 1 267.461 2.040 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000650023933 400780162 /nfs/dbraw/zinc/78/01/62/400780162.db2.gz XYHAPICZJXCBPU-BRWVUGGUSA-N 2 1 280.456 2.248 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccsc3)C2)C1 ZINC000650706196 400997413 /nfs/dbraw/zinc/99/74/13/400997413.db2.gz GHKOKYLSGVGSTH-ZNMIVQPWSA-N 2 1 280.437 2.466 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)C1 ZINC000650705241 400998643 /nfs/dbraw/zinc/99/86/43/400998643.db2.gz AEYXNELJSPYYPB-UXLLHSPISA-N 2 1 290.407 2.111 20 0 CEADMP CCOc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])n1 ZINC000650711069 401001535 /nfs/dbraw/zinc/00/15/35/401001535.db2.gz HNBUCWKORBDVPH-ZFWWWQNUSA-N 2 1 277.412 2.430 20 0 CEADMP CC(C)n1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cn1 ZINC000650717785 401008319 /nfs/dbraw/zinc/00/83/19/401008319.db2.gz MFEDCNSWSXMHLT-UHFFFAOYSA-N 2 1 276.359 2.352 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000650720301 401009682 /nfs/dbraw/zinc/00/96/82/401009682.db2.gz KZTSBWMYLSQRRY-XJKSGUPXSA-N 2 1 261.413 2.026 20 0 CEADMP Cc1ccncc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723478 401011000 /nfs/dbraw/zinc/01/10/00/401011000.db2.gz OQPRZCFMEYBVDK-GVDBMIGSSA-N 2 1 289.423 2.251 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cscn2)C1 ZINC000650722057 401012278 /nfs/dbraw/zinc/01/22/78/401012278.db2.gz JVJWQBOVBYLSIK-BNOWGMLFSA-N 2 1 281.425 2.004 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cscn2)C1 ZINC000650722057 401012281 /nfs/dbraw/zinc/01/22/81/401012281.db2.gz JVJWQBOVBYLSIK-BNOWGMLFSA-N 2 1 281.425 2.004 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)[C@H]1CCC[NH2+]1 ZINC000650752425 401029275 /nfs/dbraw/zinc/02/92/75/401029275.db2.gz QTWGYQGCWJKLCO-MIGQKNRLSA-N 2 1 275.396 2.032 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000650758334 401034369 /nfs/dbraw/zinc/03/43/69/401034369.db2.gz NIHHDBOXHRWQGB-XJKSGUPXSA-N 2 1 273.424 2.121 20 0 CEADMP C[NH2+]Cc1ccccc1CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000650758334 401034374 /nfs/dbraw/zinc/03/43/74/401034374.db2.gz NIHHDBOXHRWQGB-XJKSGUPXSA-N 2 1 273.424 2.121 20 0 CEADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)C(C)C ZINC000378185669 286013206 /nfs/dbraw/zinc/01/32/06/286013206.db2.gz RNEKSONUTFKOPY-QBPKDAKJSA-N 2 1 298.471 2.136 20 0 CEADMP CO[C@H]1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000651491446 401349376 /nfs/dbraw/zinc/34/93/76/401349376.db2.gz YKQRBSCKQBUHRY-ZFWWWQNUSA-N 2 1 254.418 2.408 20 0 CEADMP Cc1n[nH]cc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651491995 401349449 /nfs/dbraw/zinc/34/94/49/401349449.db2.gz GFOKIFZBIMITAB-LLVKDONJSA-N 2 1 250.390 2.243 20 0 CEADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000651491995 401349451 /nfs/dbraw/zinc/34/94/51/401349451.db2.gz GFOKIFZBIMITAB-LLVKDONJSA-N 2 1 250.390 2.243 20 0 CEADMP Cc1[nH]ncc1[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651491995 401349453 /nfs/dbraw/zinc/34/94/53/401349453.db2.gz GFOKIFZBIMITAB-LLVKDONJSA-N 2 1 250.390 2.243 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651693036 401372672 /nfs/dbraw/zinc/37/26/72/401372672.db2.gz ZVGUFRQGMLWZBA-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651693036 401372677 /nfs/dbraw/zinc/37/26/77/401372677.db2.gz ZVGUFRQGMLWZBA-HNNXBMFYSA-N 2 1 299.422 2.089 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CSC)[C@@H](C)C1 ZINC000361523884 286063607 /nfs/dbraw/zinc/06/36/07/286063607.db2.gz HDBLLASMYHWPJH-KKUMJFAQSA-N 2 1 288.501 2.465 20 0 CEADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000652522312 401536752 /nfs/dbraw/zinc/53/67/52/401536752.db2.gz CTCVDZHVXWDEBG-OAGGEKHMSA-N 2 1 297.487 2.342 20 0 CEADMP c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCC[NH2+]3)C1)C[NH2+]CC2 ZINC000652339766 401490177 /nfs/dbraw/zinc/49/01/77/401490177.db2.gz LHWHAEBPZIQQJA-PKOBYXMFSA-N 3 1 299.462 2.296 20 0 CEADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]3)C1)C[NH2+]CC2 ZINC000652339766 401490180 /nfs/dbraw/zinc/49/01/80/401490180.db2.gz LHWHAEBPZIQQJA-PKOBYXMFSA-N 3 1 299.462 2.296 20 0 CEADMP CC(C)COCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363340 401495340 /nfs/dbraw/zinc/49/53/40/401495340.db2.gz BOZYJYYBNDIVIP-BZUAXINKSA-N 2 1 284.444 2.020 20 0 CEADMP COc1c[nH+]ccc1N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000360240341 155248391 /nfs/dbraw/zinc/24/83/91/155248391.db2.gz FWIUCTUPJVFDFF-UHFFFAOYSA-N 2 1 284.363 2.120 20 0 CEADMP CCC(CC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000360245992 155252454 /nfs/dbraw/zinc/25/24/54/155252454.db2.gz RRAOMHUPDNPMHA-QGZVFWFLSA-N 2 1 276.424 2.402 20 0 CEADMP CCC(CC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000360245992 155252457 /nfs/dbraw/zinc/25/24/57/155252457.db2.gz RRAOMHUPDNPMHA-QGZVFWFLSA-N 2 1 276.424 2.402 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000188566460 153063199 /nfs/dbraw/zinc/06/31/99/153063199.db2.gz PKDZEJDMFUZVEI-GXTWGEPZSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000188566460 153063202 /nfs/dbraw/zinc/06/32/02/153063202.db2.gz PKDZEJDMFUZVEI-GXTWGEPZSA-N 2 1 251.374 2.081 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)CC2CCCC2)CC[N@@H+]1C ZINC000190633294 153139643 /nfs/dbraw/zinc/13/96/43/153139643.db2.gz VOTIRIPTPOZUJX-CWRNSKLLSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)CC2CCCC2)CC[N@H+]1C ZINC000190633294 153139649 /nfs/dbraw/zinc/13/96/49/153139649.db2.gz VOTIRIPTPOZUJX-CWRNSKLLSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)CC2CCCC2)CC[NH+]1C ZINC000190633294 153139653 /nfs/dbraw/zinc/13/96/53/153139653.db2.gz VOTIRIPTPOZUJX-CWRNSKLLSA-N 2 1 268.445 2.342 20 0 CEADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)CC2CCCC2)CC[NH+]1C ZINC000190633294 153139657 /nfs/dbraw/zinc/13/96/57/153139657.db2.gz VOTIRIPTPOZUJX-CWRNSKLLSA-N 2 1 268.445 2.342 20 0 CEADMP Cc1c[nH+]ccc1NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000192728708 153216176 /nfs/dbraw/zinc/21/61/76/153216176.db2.gz DYSKVEYNBFGDAC-SJORKVTESA-N 2 1 297.402 2.437 20 0 CEADMP Cc1cccc(C[C@@H](CO)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000193336033 153230191 /nfs/dbraw/zinc/23/01/91/153230191.db2.gz ZVUVNRXQFRVKDF-XFYFCPPXSA-N 2 1 288.435 2.113 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](CCOc3cccc(Cl)c3)C[C@@H]2C1 ZINC000193654680 153235643 /nfs/dbraw/zinc/23/56/43/153235643.db2.gz SDNIKTUWAZTGJH-BETUJISGSA-N 2 1 280.799 2.212 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](CCOc3cccc(Cl)c3)C[C@@H]2C1 ZINC000193654680 153235647 /nfs/dbraw/zinc/23/56/47/153235647.db2.gz SDNIKTUWAZTGJH-BETUJISGSA-N 2 1 280.799 2.212 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](CCOc3cccc(Cl)c3)C[C@@H]2C1 ZINC000193654680 153235651 /nfs/dbraw/zinc/23/56/51/153235651.db2.gz SDNIKTUWAZTGJH-BETUJISGSA-N 2 1 280.799 2.212 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](CCOc3cccc(Cl)c3)C[C@@H]2C1 ZINC000193654680 153235659 /nfs/dbraw/zinc/23/56/59/153235659.db2.gz SDNIKTUWAZTGJH-BETUJISGSA-N 2 1 280.799 2.212 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cncc(F)c1 ZINC000224114537 153320335 /nfs/dbraw/zinc/32/03/35/153320335.db2.gz PHQGBQHTBKZQOM-MJVIPROJSA-N 2 1 251.349 2.354 20 0 CEADMP C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cncc(F)c1 ZINC000224114537 153320337 /nfs/dbraw/zinc/32/03/37/153320337.db2.gz PHQGBQHTBKZQOM-MJVIPROJSA-N 2 1 251.349 2.354 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000224013298 153322964 /nfs/dbraw/zinc/32/29/64/153322964.db2.gz XFXHXXUDMGKXJG-KBPBESRZSA-N 2 1 282.428 2.134 20 0 CEADMP CCn1cc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000224112244 153323025 /nfs/dbraw/zinc/32/30/25/153323025.db2.gz TUQNFWNTKZOKNO-SGMGOOAPSA-N 2 1 250.390 2.036 20 0 CEADMP CCn1cc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000224112244 153323027 /nfs/dbraw/zinc/32/30/27/153323027.db2.gz TUQNFWNTKZOKNO-SGMGOOAPSA-N 2 1 250.390 2.036 20 0 CEADMP C[C@H](Cn1ccnc1)[NH2+]Cc1ncc(Cl)s1 ZINC000225312905 153327924 /nfs/dbraw/zinc/32/79/24/153327924.db2.gz MDVKFXMUKFGTAC-MRVPVSSYSA-N 2 1 256.762 2.171 20 0 CEADMP COc1cc(C)nc(CNCCC[N@@H+](C)C(C)C)c1 ZINC000225908546 153330087 /nfs/dbraw/zinc/33/00/87/153330087.db2.gz ZRXZCGSZRMNDKM-UHFFFAOYSA-N 2 1 265.401 2.219 20 0 CEADMP C[C@H](CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])[N@H+]1CCCC[C@H]1C ZINC000263102492 154017641 /nfs/dbraw/zinc/01/76/41/154017641.db2.gz ZOGARUHPIPLGKK-ANQUJSFKSA-N 2 1 295.471 2.273 20 0 CEADMP Cc1oc2ccccc2c1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313337506 154209577 /nfs/dbraw/zinc/20/95/77/154209577.db2.gz IZPYZEHGSNNLDY-ZDUSSCGKSA-N 2 1 274.364 2.291 20 0 CEADMP CC[C@@H]1C[C@H](C[N@@H+](C)CC[C@H]([NH3+])C(C)C)CCO1 ZINC000346668546 154292226 /nfs/dbraw/zinc/29/22/26/154292226.db2.gz IVVPNZBQDXPURK-KFWWJZLASA-N 2 1 256.434 2.497 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000349117931 154309680 /nfs/dbraw/zinc/30/96/80/154309680.db2.gz LJZMPPNMFKTSAU-HNNXBMFYSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000351858818 154318315 /nfs/dbraw/zinc/31/83/15/154318315.db2.gz DUYRCHYPKLPXAF-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000351858818 154318319 /nfs/dbraw/zinc/31/83/19/154318319.db2.gz DUYRCHYPKLPXAF-GOEBONIOSA-N 2 1 295.471 2.132 20 0 CEADMP CO[C@]1(C)C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(C)C ZINC000352779570 154336844 /nfs/dbraw/zinc/33/68/44/154336844.db2.gz WUUYEPJITIQWDR-IUODEOHRSA-N 2 1 297.468 2.498 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]CCCc2nccs2)s1 ZINC000352787829 154341573 /nfs/dbraw/zinc/34/15/73/154341573.db2.gz KOZUPFKAMPWETB-UHFFFAOYSA-N 2 1 296.465 2.384 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC000356981918 154366980 /nfs/dbraw/zinc/36/69/80/154366980.db2.gz KYBINOPHJDKBPV-LSDHHAIUSA-N 2 1 295.427 2.477 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC000356981918 154366986 /nfs/dbraw/zinc/36/69/86/154366986.db2.gz KYBINOPHJDKBPV-LSDHHAIUSA-N 2 1 295.427 2.477 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC000356981916 154368772 /nfs/dbraw/zinc/36/87/72/154368772.db2.gz KYBINOPHJDKBPV-HUUCEWRRSA-N 2 1 295.427 2.477 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC000356981916 154368778 /nfs/dbraw/zinc/36/87/78/154368778.db2.gz KYBINOPHJDKBPV-HUUCEWRRSA-N 2 1 295.427 2.477 20 0 CEADMP Cc1cccc(C[N@@H+](CCOCC[NH3+])Cc2ccccn2)c1 ZINC000357079864 154370689 /nfs/dbraw/zinc/37/06/89/154370689.db2.gz LQZDMLDRJUHAQE-UHFFFAOYSA-N 2 1 299.418 2.368 20 0 CEADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCOCC[NH3+] ZINC000357072657 154373645 /nfs/dbraw/zinc/37/36/45/154373645.db2.gz HNOYKXAARUHOKN-HNNXBMFYSA-N 2 1 250.386 2.291 20 0 CEADMP CC(C)n1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000357082925 154377996 /nfs/dbraw/zinc/37/79/96/154377996.db2.gz PRTAYJGZQAQQOC-HNNXBMFYSA-N 2 1 276.428 2.286 20 0 CEADMP CCSc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359472910 155029746 /nfs/dbraw/zinc/02/97/46/155029746.db2.gz MYVZDDYOKKJWIH-KBPBESRZSA-N 2 1 262.422 2.450 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC2)[C@H]1c1ccccc1 ZINC000367019379 156117825 /nfs/dbraw/zinc/11/78/25/156117825.db2.gz BLLAGJKXXXOCSN-BRWVUGGUSA-N 2 1 274.408 2.448 20 0 CEADMP CC[C@@H](C)[N@H+](C)CCNc1cncc(-n2cc[nH+]c2C)n1 ZINC000368185435 156299641 /nfs/dbraw/zinc/29/96/41/156299641.db2.gz SLRJQYMPECMBQA-GFCCVEGCSA-N 2 1 288.399 2.113 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNc1cncc(-n2cc[nH+]c2C)n1 ZINC000368185435 156299645 /nfs/dbraw/zinc/29/96/45/156299645.db2.gz SLRJQYMPECMBQA-GFCCVEGCSA-N 2 1 288.399 2.113 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(F)c2)[C@H]2CCC[C@@H]21 ZINC000368607796 156375325 /nfs/dbraw/zinc/37/53/25/156375325.db2.gz IXHQLXPXXRWILT-QZWWFDLISA-N 2 1 292.398 2.322 20 0 CEADMP COCCC[NH+]1CCCC2(CCC[N@H+](CCCOC)C2)C1 ZINC000377725301 292350758 /nfs/dbraw/zinc/35/07/58/292350758.db2.gz NHUBAZDOIMVHMJ-UHFFFAOYSA-N 2 1 298.471 2.237 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c1C ZINC000375031050 157043814 /nfs/dbraw/zinc/04/38/14/157043814.db2.gz MWPUKKKEEUOKDT-GDBMZVCRSA-N 2 1 289.423 2.233 20 0 CEADMP COc1c(C)c[nH+]c(CN2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c1C ZINC000375031050 157043815 /nfs/dbraw/zinc/04/38/15/157043815.db2.gz MWPUKKKEEUOKDT-GDBMZVCRSA-N 2 1 289.423 2.233 20 0 CEADMP C[C@H](O)C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375608734 157115413 /nfs/dbraw/zinc/11/54/13/157115413.db2.gz SOKQMHJFIVAGIB-RDJZCZTQSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@H](O)C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000375608734 157115416 /nfs/dbraw/zinc/11/54/16/157115416.db2.gz SOKQMHJFIVAGIB-RDJZCZTQSA-N 2 1 276.424 2.354 20 0 CEADMP C[C@H](O)C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000375608734 157115421 /nfs/dbraw/zinc/11/54/21/157115421.db2.gz SOKQMHJFIVAGIB-RDJZCZTQSA-N 2 1 276.424 2.354 20 0 CEADMP Cc1c[nH+]ccc1N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000375655601 157120703 /nfs/dbraw/zinc/12/07/03/157120703.db2.gz MVMJZQKFHWIFSL-YQQAZPJKSA-N 2 1 289.423 2.113 20 0 CEADMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3[C@H]4COC[C@H]43)CC2)cc1 ZINC000375804296 157143415 /nfs/dbraw/zinc/14/34/15/157143415.db2.gz HPFGHUAHUQZWTC-NNZMDNLPSA-N 2 1 286.419 2.133 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCO3)[C@H]2CCC[C@H]21 ZINC000375852588 157153302 /nfs/dbraw/zinc/15/33/02/157153302.db2.gz NWVGITOGWIIUIS-QLFBSQMISA-N 2 1 288.391 2.378 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000375861412 157154561 /nfs/dbraw/zinc/15/45/61/157154561.db2.gz NKKGMWMSTWNLQV-CQSZACIVSA-N 2 1 273.384 2.362 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)CCCCCC[NH3+])C1 ZINC000166349830 162352041 /nfs/dbraw/zinc/35/20/41/162352041.db2.gz GWCPWDDGJMQZMU-OAHLLOKOSA-N 2 1 283.460 2.132 20 0 CEADMP COCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248402681 162503649 /nfs/dbraw/zinc/50/36/49/162503649.db2.gz VVCQEILCXZXFBW-QLPKVWCKSA-N 2 1 276.424 2.379 20 0 CEADMP C[C@@H](NCCC[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000400440790 287023538 /nfs/dbraw/zinc/02/35/38/287023538.db2.gz ODDWZNZAMIPHSM-GDBMZVCRSA-N 2 1 267.461 2.371 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCCCn2cccn2)C1 ZINC000173913350 165086233 /nfs/dbraw/zinc/08/62/33/165086233.db2.gz OFMRRGHIBKZNPW-INIZCTEOSA-N 2 1 278.444 2.327 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCCCn2cccn2)C1 ZINC000173913350 165086234 /nfs/dbraw/zinc/08/62/34/165086234.db2.gz OFMRRGHIBKZNPW-INIZCTEOSA-N 2 1 278.444 2.327 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCCCn2cccn2)C1 ZINC000173913350 165086237 /nfs/dbraw/zinc/08/62/37/165086237.db2.gz OFMRRGHIBKZNPW-INIZCTEOSA-N 2 1 278.444 2.327 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)NC2CCCC2)C1 ZINC000176284066 165160657 /nfs/dbraw/zinc/16/06/57/165160657.db2.gz ZFNIJZBCJZRNLR-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000176284066 165160661 /nfs/dbraw/zinc/16/06/61/165160661.db2.gz ZFNIJZBCJZRNLR-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000176284066 165160667 /nfs/dbraw/zinc/16/06/67/165160667.db2.gz ZFNIJZBCJZRNLR-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000178514752 165243464 /nfs/dbraw/zinc/24/34/64/165243464.db2.gz GMOAVSIQSURAQF-RDBSUJKOSA-N 2 1 294.443 2.444 20 0 CEADMP COCCC[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000178786828 165260979 /nfs/dbraw/zinc/26/09/79/165260979.db2.gz XMJQQQUOZULFDA-CYBMUJFWSA-N 2 1 253.390 2.376 20 0 CEADMP CC[C@H](C)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182190848 165365683 /nfs/dbraw/zinc/36/56/83/165365683.db2.gz ZAWPQFPWJBGWAN-HOTGVXAUSA-N 2 1 267.461 2.134 20 0 CEADMP CC[C@H](C)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182190848 165365684 /nfs/dbraw/zinc/36/56/84/165365684.db2.gz ZAWPQFPWJBGWAN-HOTGVXAUSA-N 2 1 267.461 2.134 20 0 CEADMP CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OC)c2)CC1 ZINC000020122786 171003643 /nfs/dbraw/zinc/00/36/43/171003643.db2.gz VWOCVQLUIHAUIV-UHFFFAOYSA-N 2 1 278.396 2.278 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CC[C@@H]1CCOC1 ZINC000400590272 287268165 /nfs/dbraw/zinc/26/81/65/287268165.db2.gz CXMDJVKHWSNBQK-HUUCEWRRSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353463618 287271253 /nfs/dbraw/zinc/27/12/53/287271253.db2.gz MZNLDAPIIIWTNO-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353463618 287271255 /nfs/dbraw/zinc/27/12/55/287271255.db2.gz MZNLDAPIIIWTNO-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353463618 287271258 /nfs/dbraw/zinc/27/12/58/287271258.db2.gz MZNLDAPIIIWTNO-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353463618 287271263 /nfs/dbraw/zinc/27/12/63/287271263.db2.gz MZNLDAPIIIWTNO-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353463618 287271267 /nfs/dbraw/zinc/27/12/67/287271267.db2.gz MZNLDAPIIIWTNO-VQHPVUNQSA-N 2 1 279.472 2.323 20 0 CEADMP Cc1c(C[N@@H+](C)CCCN(C)Cc2ccco2)cnn1C ZINC000285778063 196394946 /nfs/dbraw/zinc/39/49/46/196394946.db2.gz TZSSLBUFCZYOCT-UHFFFAOYSA-N 2 1 290.411 2.275 20 0 CEADMP Cc1c(C[N@H+](C)CCCN(C)Cc2ccco2)cnn1C ZINC000285778063 196394948 /nfs/dbraw/zinc/39/49/48/196394948.db2.gz TZSSLBUFCZYOCT-UHFFFAOYSA-N 2 1 290.411 2.275 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000037505601 173240391 /nfs/dbraw/zinc/24/03/91/173240391.db2.gz ZVKGXHOFRYFHAP-NSHDSACASA-N 2 1 251.399 2.025 20 0 CEADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000037505601 173240394 /nfs/dbraw/zinc/24/03/94/173240394.db2.gz ZVKGXHOFRYFHAP-NSHDSACASA-N 2 1 251.399 2.025 20 0 CEADMP COc1ccc(OC)c([C@@H](C)[NH2+]C2CC[NH2+]CC2)c1 ZINC000038041187 174042021 /nfs/dbraw/zinc/04/20/21/174042021.db2.gz MOBQCDKVELWLKD-LLVKDONJSA-N 2 1 264.369 2.106 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000662844841 414770893 /nfs/dbraw/zinc/77/08/93/414770893.db2.gz BNGWVLBLXLQOLO-KGLIPLIRSA-N 2 1 295.471 2.001 20 0 CEADMP C[C@H]([NH3+])CN1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000404306373 414777675 /nfs/dbraw/zinc/77/76/75/414777675.db2.gz FRFARHKHNHOIQA-YHUYYLMFSA-N 2 1 275.440 2.317 20 0 CEADMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])C(C)C ZINC000404279770 414779085 /nfs/dbraw/zinc/77/90/85/414779085.db2.gz PADRIVOQCITLJP-CABCVRRESA-N 2 1 283.460 2.081 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000404434223 414783314 /nfs/dbraw/zinc/78/33/14/414783314.db2.gz QIWQHUZBYHVWMT-LRDDRELGSA-N 2 1 277.412 2.348 20 0 CEADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000404403975 414783699 /nfs/dbraw/zinc/78/36/99/414783699.db2.gz TUQLCBLAYCKZCE-GOEBONIOSA-N 2 1 289.423 2.383 20 0 CEADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000404403975 414783706 /nfs/dbraw/zinc/78/37/06/414783706.db2.gz TUQLCBLAYCKZCE-GOEBONIOSA-N 2 1 289.423 2.383 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCOCC(F)(F)F)[C@@H]1CC[NH3+] ZINC000404385471 414784260 /nfs/dbraw/zinc/78/42/60/414784260.db2.gz WAICBRYPSKFGNK-VXGBXAGGSA-N 2 1 282.350 2.405 20 0 CEADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000660373678 414791145 /nfs/dbraw/zinc/79/11/45/414791145.db2.gz PYKYABQDJRXDDC-RYUDHWBXSA-N 2 1 284.366 2.254 20 0 CEADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000660373678 414791152 /nfs/dbraw/zinc/79/11/52/414791152.db2.gz PYKYABQDJRXDDC-RYUDHWBXSA-N 2 1 284.366 2.254 20 0 CEADMP Cn1nc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000657182819 414797801 /nfs/dbraw/zinc/79/78/01/414797801.db2.gz BVPFXBAAZXHXJT-CQSZACIVSA-N 2 1 286.423 2.395 20 0 CEADMP CO[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000657179368 414798053 /nfs/dbraw/zinc/79/80/53/414798053.db2.gz XJKNLEGUXXNHTF-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129056667 414810764 /nfs/dbraw/zinc/81/07/64/414810764.db2.gz MIARCDBWBDWOAF-UONOGXRCSA-N 2 1 278.396 2.276 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129056667 414810770 /nfs/dbraw/zinc/81/07/70/414810770.db2.gz MIARCDBWBDWOAF-UONOGXRCSA-N 2 1 278.396 2.276 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000129077678 414811544 /nfs/dbraw/zinc/81/15/44/414811544.db2.gz YXRSESXPHYZYJM-ZFWWWQNUSA-N 2 1 270.380 2.184 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000129077678 414811549 /nfs/dbraw/zinc/81/15/49/414811549.db2.gz YXRSESXPHYZYJM-ZFWWWQNUSA-N 2 1 270.380 2.184 20 0 CEADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C[NH2+]C)cc1)C(C)C ZINC000662966583 414813232 /nfs/dbraw/zinc/81/32/32/414813232.db2.gz SMOZNSLAXBSWTC-AWEZNQCLSA-N 2 1 291.439 2.255 20 0 CEADMP COC[C@@H](C)Oc1ccc(CNCC[NH+]2CCCC2)cc1 ZINC000657292762 414836678 /nfs/dbraw/zinc/83/66/78/414836678.db2.gz RWJBGTZTLDRSJI-OAHLLOKOSA-N 2 1 292.423 2.286 20 0 CEADMP Cc1c[nH]c(CNCCC[N@H+]2CCc3ccccc3C2)n1 ZINC000657298115 414842547 /nfs/dbraw/zinc/84/25/47/414842547.db2.gz PQWBKCDXARZPPD-UHFFFAOYSA-N 2 1 284.407 2.256 20 0 CEADMP Cn1ncc(C2CC2)c1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657312965 414855238 /nfs/dbraw/zinc/85/52/38/414855238.db2.gz DXYVOCCWGZOFGE-KBPBESRZSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657312965 414855243 /nfs/dbraw/zinc/85/52/43/414855243.db2.gz DXYVOCCWGZOFGE-KBPBESRZSA-N 2 1 274.412 2.014 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657312965 414855246 /nfs/dbraw/zinc/85/52/46/414855246.db2.gz DXYVOCCWGZOFGE-KBPBESRZSA-N 2 1 274.412 2.014 20 0 CEADMP CCC1CCC([N@H+](C)C[C@H](O)C[NH+](C)CC)CC1 ZINC000310802543 414858403 /nfs/dbraw/zinc/85/84/03/414858403.db2.gz AUQFOBCTSZGLOA-YMAMQOFZSA-N 2 1 256.434 2.200 20 0 CEADMP CCC1CCC([N@@H+](C)C[C@H](O)C[NH+](C)CC)CC1 ZINC000310802543 414858410 /nfs/dbraw/zinc/85/84/10/414858410.db2.gz AUQFOBCTSZGLOA-YMAMQOFZSA-N 2 1 256.434 2.200 20 0 CEADMP CCC1CCC([NH+](C)C[C@H](O)C[N@H+](C)CC)CC1 ZINC000310802543 414858414 /nfs/dbraw/zinc/85/84/14/414858414.db2.gz AUQFOBCTSZGLOA-YMAMQOFZSA-N 2 1 256.434 2.200 20 0 CEADMP CCC1CCC([NH+](C)C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000310802543 414858419 /nfs/dbraw/zinc/85/84/19/414858419.db2.gz AUQFOBCTSZGLOA-YMAMQOFZSA-N 2 1 256.434 2.200 20 0 CEADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653112764 414908586 /nfs/dbraw/zinc/90/85/86/414908586.db2.gz JGQPDFPNDFSQCE-LSDHHAIUSA-N 2 1 295.471 2.003 20 0 CEADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1ccncc1)C2 ZINC000660654692 414918789 /nfs/dbraw/zinc/91/87/89/414918789.db2.gz HWAGXXXDZZCNGO-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1ccncc1)C2 ZINC000660654692 414918790 /nfs/dbraw/zinc/91/87/90/414918790.db2.gz HWAGXXXDZZCNGO-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1ccncc1)C2 ZINC000660654692 414918791 /nfs/dbraw/zinc/91/87/91/414918791.db2.gz HWAGXXXDZZCNGO-INIZCTEOSA-N 2 1 259.397 2.042 20 0 CEADMP CO[C@H](CC(C)C)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662404 414923512 /nfs/dbraw/zinc/92/35/12/414923512.db2.gz JUKWOQYBTLJONT-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662404 414923517 /nfs/dbraw/zinc/92/35/17/414923517.db2.gz JUKWOQYBTLJONT-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP CO[C@H](CC(C)C)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662404 414923522 /nfs/dbraw/zinc/92/35/22/414923522.db2.gz JUKWOQYBTLJONT-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)OC1CC([N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000660661779 414924003 /nfs/dbraw/zinc/92/40/03/414924003.db2.gz GKIWLBSMQFXPTG-GPANFISMSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)OC1CC([NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000660661779 414924007 /nfs/dbraw/zinc/92/40/07/414924007.db2.gz GKIWLBSMQFXPTG-GPANFISMSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)OC1CC([NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000660661779 414924010 /nfs/dbraw/zinc/92/40/10/414924010.db2.gz GKIWLBSMQFXPTG-GPANFISMSA-N 2 1 266.429 2.360 20 0 CEADMP C[C@@H](CC[NH2+]Cc1cnc2n1CCC2)[NH+]1CCCCC1 ZINC000657432781 414934454 /nfs/dbraw/zinc/93/44/54/414934454.db2.gz JZQYICIMMCAZIV-AWEZNQCLSA-N 2 1 276.428 2.183 20 0 CEADMP Cc1ccccc1[C@H]([NH3+])C(=O)NCCC[N@H+](C)CC(C)C ZINC000653175890 414937272 /nfs/dbraw/zinc/93/72/72/414937272.db2.gz FFQVTQSGFCIFET-INIZCTEOSA-N 2 1 291.439 2.089 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nccn1C(C)C ZINC000657347426 414874606 /nfs/dbraw/zinc/87/46/06/414874606.db2.gz QTKXBCZEVNXCKP-CYBMUJFWSA-N 2 1 275.400 2.395 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(C2CC2)CC1 ZINC000660575700 414883856 /nfs/dbraw/zinc/88/38/56/414883856.db2.gz ZDTGYDPMJGLBSK-HNNXBMFYSA-N 2 1 268.445 2.200 20 0 CEADMP CC(C)(C[NH2+]Cc1cnc2n1CCC2)C[NH+]1CCCC1 ZINC000657446665 414942423 /nfs/dbraw/zinc/94/24/23/414942423.db2.gz KPRVQMLCLZUZIU-UHFFFAOYSA-N 2 1 276.428 2.041 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000657563996 415002028 /nfs/dbraw/zinc/00/20/28/415002028.db2.gz RILGVIVXSSTDAP-QLFBSQMISA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[NH+]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000657563996 415002030 /nfs/dbraw/zinc/00/20/30/415002030.db2.gz RILGVIVXSSTDAP-QLFBSQMISA-N 2 1 265.445 2.076 20 0 CEADMP CC(C)(C)[NH+]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000657563996 415002032 /nfs/dbraw/zinc/00/20/32/415002032.db2.gz RILGVIVXSSTDAP-QLFBSQMISA-N 2 1 265.445 2.076 20 0 CEADMP CN(C)c1cc[nH+]cc1CN[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657561951 415002095 /nfs/dbraw/zinc/00/20/95/415002095.db2.gz DUWCCWWQTWYNHW-AWEZNQCLSA-N 2 1 276.428 2.110 20 0 CEADMP CN(C)c1cc[nH+]cc1CN[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657561951 415002099 /nfs/dbraw/zinc/00/20/99/415002099.db2.gz DUWCCWWQTWYNHW-AWEZNQCLSA-N 2 1 276.428 2.110 20 0 CEADMP CC[N@@H+](CCCNC(=O)[C@H](C)[C@H](C)[NH3+])C1CCCCC1 ZINC000653200583 414945492 /nfs/dbraw/zinc/94/54/92/414945492.db2.gz JMIYHPMRUFJXEG-KGLIPLIRSA-N 2 1 283.460 2.131 20 0 CEADMP Cc1cc(C(F)(F)F)cc(NC[C@@H]2CN(C)CCO2)[nH+]1 ZINC000663478924 414968484 /nfs/dbraw/zinc/96/84/84/414968484.db2.gz ADYPZZUDFMSJCM-LLVKDONJSA-N 2 1 289.301 2.151 20 0 CEADMP COC[C@H]1CCCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000653618883 415055483 /nfs/dbraw/zinc/05/54/83/415055483.db2.gz ZXHFIEBCXIYBPP-AWEZNQCLSA-N 2 1 265.401 2.101 20 0 CEADMP COC[C@H]1CCCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000653618883 415055489 /nfs/dbraw/zinc/05/54/89/415055489.db2.gz ZXHFIEBCXIYBPP-AWEZNQCLSA-N 2 1 265.401 2.101 20 0 CEADMP C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CCCc1c[nH+]cn1C ZINC000653618231 415056442 /nfs/dbraw/zinc/05/64/42/415056442.db2.gz WRFUQPYDHYCWLG-WMLDXEAASA-N 2 1 287.407 2.107 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)Cc1ccsc1 ZINC000653625783 415060169 /nfs/dbraw/zinc/06/01/69/415060169.db2.gz RJTPVPNBDDCXPT-ZFWWWQNUSA-N 2 1 284.469 2.314 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H](C)Cc1ccsc1 ZINC000653625783 415060171 /nfs/dbraw/zinc/06/01/71/415060171.db2.gz RJTPVPNBDDCXPT-ZFWWWQNUSA-N 2 1 284.469 2.314 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000653625783 415060174 /nfs/dbraw/zinc/06/01/74/415060174.db2.gz RJTPVPNBDDCXPT-ZFWWWQNUSA-N 2 1 284.469 2.314 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000653625783 415060176 /nfs/dbraw/zinc/06/01/76/415060176.db2.gz RJTPVPNBDDCXPT-ZFWWWQNUSA-N 2 1 284.469 2.314 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H](C)Cc1ccsc1 ZINC000653625781 415060256 /nfs/dbraw/zinc/06/02/56/415060256.db2.gz RJTPVPNBDDCXPT-HIFRSBDPSA-N 2 1 284.469 2.314 20 0 CEADMP CC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H](C)Cc1ccsc1 ZINC000653625781 415060258 /nfs/dbraw/zinc/06/02/58/415060258.db2.gz RJTPVPNBDDCXPT-HIFRSBDPSA-N 2 1 284.469 2.314 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)[C@H](C)Cc1ccsc1 ZINC000653625781 415060259 /nfs/dbraw/zinc/06/02/59/415060259.db2.gz RJTPVPNBDDCXPT-HIFRSBDPSA-N 2 1 284.469 2.314 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)[C@H](C)Cc1ccsc1 ZINC000653625781 415060261 /nfs/dbraw/zinc/06/02/61/415060261.db2.gz RJTPVPNBDDCXPT-HIFRSBDPSA-N 2 1 284.469 2.314 20 0 CEADMP c1c[nH+]c(N2CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)[nH]1 ZINC000653644863 415063994 /nfs/dbraw/zinc/06/39/94/415063994.db2.gz UIFITFFGNUFOHN-HNNXBMFYSA-N 2 1 296.418 2.337 20 0 CEADMP Cc1cc(CO)cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)[nH+]1 ZINC000663745559 415035221 /nfs/dbraw/zinc/03/52/21/415035221.db2.gz CZQWSMWDNMEQBQ-INIZCTEOSA-N 2 1 289.423 2.050 20 0 CEADMP Cn1cncc1CCC[N@@H+](C)Cc1nc2ccccc2n1C ZINC000653583719 415043468 /nfs/dbraw/zinc/04/34/68/415043468.db2.gz RHYRSMQJSQPXNV-UHFFFAOYSA-N 2 1 297.406 2.371 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1nc2ccccc2n1C ZINC000653583719 415043478 /nfs/dbraw/zinc/04/34/78/415043478.db2.gz RHYRSMQJSQPXNV-UHFFFAOYSA-N 2 1 297.406 2.371 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](COC)CC2CCOCC2)C1 ZINC000657845340 415103240 /nfs/dbraw/zinc/10/32/40/415103240.db2.gz NEOXLNITLPSNIC-SJORKVTESA-N 2 1 298.471 2.140 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000658034814 415167508 /nfs/dbraw/zinc/16/75/08/415167508.db2.gz JGKXQFZSXBSDJH-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP OC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000658086721 415198526 /nfs/dbraw/zinc/19/85/26/415198526.db2.gz FDHACORSYVMYIA-SFHVURJKSA-N 2 1 288.435 2.402 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc(C2CCC2)no1 ZINC000664194801 415219900 /nfs/dbraw/zinc/21/99/00/415219900.db2.gz HVSZHJLYISPSPX-LBPRGKRZSA-N 2 1 295.431 2.021 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc(C2CCC2)no1 ZINC000664194801 415219906 /nfs/dbraw/zinc/21/99/06/415219906.db2.gz HVSZHJLYISPSPX-LBPRGKRZSA-N 2 1 295.431 2.021 20 0 CEADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357065366 287301265 /nfs/dbraw/zinc/30/12/65/287301265.db2.gz ARAKKQYAJVEQFK-UGUYLWEFSA-N 2 1 266.429 2.123 20 0 CEADMP CC(C)(C)OCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658189206 415253992 /nfs/dbraw/zinc/25/39/92/415253992.db2.gz XPDWTKLGTPYKEF-OAHLLOKOSA-N 2 1 284.444 2.035 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661440424 415263945 /nfs/dbraw/zinc/26/39/45/415263945.db2.gz CQHWEVWNNJEOFK-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661440424 415263950 /nfs/dbraw/zinc/26/39/50/415263950.db2.gz CQHWEVWNNJEOFK-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229928 415263997 /nfs/dbraw/zinc/26/39/97/415263997.db2.gz VAZPMKHWFIYSNV-IIAWOOMASA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229928 415264000 /nfs/dbraw/zinc/26/40/00/415264000.db2.gz VAZPMKHWFIYSNV-IIAWOOMASA-N 2 1 266.429 2.408 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661490202 415283570 /nfs/dbraw/zinc/28/35/70/415283570.db2.gz DINIBQSJQQFPAB-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661490202 415283576 /nfs/dbraw/zinc/28/35/76/415283576.db2.gz DINIBQSJQQFPAB-HIFRSBDPSA-N 2 1 265.401 2.065 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)CC[N@H+]1C ZINC000658348171 415328413 /nfs/dbraw/zinc/32/84/13/415328413.db2.gz NHLSCBCXKWFBPS-NJAFHUGGSA-N 2 1 287.451 2.333 20 0 CEADMP CC(C)CCOCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655703826 415397377 /nfs/dbraw/zinc/39/73/77/415397377.db2.gz WFIAXFZDACAWAD-KRWDZBQOSA-N 2 1 298.471 2.282 20 0 CEADMP c1ccc2c(c1)C[C@@H]2C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655709274 415400595 /nfs/dbraw/zinc/40/05/95/415400595.db2.gz VOJTXYUEMPSPCJ-WBVHZDCISA-N 2 1 286.419 2.169 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655711366 415406197 /nfs/dbraw/zinc/40/61/97/415406197.db2.gz IOKYUEFLVJCTRS-BHYGNILZSA-N 2 1 298.471 2.017 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)CS1 ZINC000655717154 415409028 /nfs/dbraw/zinc/40/90/28/415409028.db2.gz VTVYGEABKUOCPD-ZBFHGGJFSA-N 2 1 299.528 2.134 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCCO1 ZINC000655736655 415421617 /nfs/dbraw/zinc/42/16/17/415421617.db2.gz GRPGOSICHULXCN-YESZJQIVSA-N 2 1 296.455 2.177 20 0 CEADMP CC(C)[N@@H+](C)CCCN[C@@H]1CCCn2ccnc21 ZINC000655686746 415386130 /nfs/dbraw/zinc/38/61/30/415386130.db2.gz PVUGFSFUZPEMDY-CYBMUJFWSA-N 2 1 250.390 2.038 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CS1 ZINC000655687982 415387063 /nfs/dbraw/zinc/38/70/63/415387063.db2.gz FBDYFYDRJYLVGF-UPJWGTAASA-N 2 1 254.443 2.344 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1nccs1 ZINC000655754470 415438223 /nfs/dbraw/zinc/43/82/23/415438223.db2.gz WRIHXTPRLSKWNM-TZMCWYRMSA-N 2 1 295.452 2.090 20 0 CEADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000655754972 415438765 /nfs/dbraw/zinc/43/87/65/415438765.db2.gz ZLLPGPNPIKZBBS-BFYDXBDKSA-N 2 1 296.455 2.035 20 0 CEADMP FC1(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000655768630 415448997 /nfs/dbraw/zinc/44/89/97/415448997.db2.gz KPQXERSBGGKLRV-AWEZNQCLSA-N 2 1 270.392 2.112 20 0 CEADMP CO[C@@H]([C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000655774044 415457200 /nfs/dbraw/zinc/45/72/00/415457200.db2.gz OLFJUOAPLXFDLK-JQFCIGGWSA-N 2 1 296.455 2.033 20 0 CEADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC(F)F ZINC000655779398 415459798 /nfs/dbraw/zinc/45/97/98/415459798.db2.gz KHYLHNCESNTDQE-WCQYABFASA-N 2 1 276.371 2.121 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccn2)[C@@H](C)C1 ZINC000655838214 415512041 /nfs/dbraw/zinc/51/20/41/415512041.db2.gz KXAAGZKBZFMLJY-DZKIICNBSA-N 2 1 261.413 2.333 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC2(CCCC2=O)CC1 ZINC000661962704 415543220 /nfs/dbraw/zinc/54/32/20/415543220.db2.gz WNJSYXJGXXTIFZ-UHFFFAOYSA-N 2 1 275.396 2.188 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251707 415650635 /nfs/dbraw/zinc/65/06/35/415650635.db2.gz XAYJFXNRDQPSNB-AXUOBQJMSA-N 2 1 299.462 2.204 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000665251423 415650910 /nfs/dbraw/zinc/65/09/10/415650910.db2.gz OUZMJZKAEGSDOD-RKTXRCNFSA-N 2 1 274.408 2.147 20 0 CEADMP COc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000656194576 415629090 /nfs/dbraw/zinc/62/90/90/415629090.db2.gz LEEVFBFHKYFXAO-GXTWGEPZSA-N 2 1 276.380 2.251 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000665236802 415639043 /nfs/dbraw/zinc/63/90/43/415639043.db2.gz UWCAKAZNKLJJRP-BFHYXJOUSA-N 2 1 253.434 2.109 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000665257960 415653669 /nfs/dbraw/zinc/65/36/69/415653669.db2.gz ZWYZRMNHFLVXCX-WBQNTZJQSA-N 2 1 292.398 2.428 20 0 CEADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254669 415654264 /nfs/dbraw/zinc/65/42/64/415654264.db2.gz WMWREUVQSIUQIR-VDNDLQMASA-N 2 1 292.398 2.286 20 0 CEADMP Cc1cc(C)cc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662153466 415658380 /nfs/dbraw/zinc/65/83/80/415658380.db2.gz BRWWRIONUWATQR-SFHVURJKSA-N 2 1 288.435 2.334 20 0 CEADMP Cc1cc(C)cc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662153466 415658383 /nfs/dbraw/zinc/65/83/83/415658383.db2.gz BRWWRIONUWATQR-SFHVURJKSA-N 2 1 288.435 2.334 20 0 CEADMP Cc1cncc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000665273878 415664672 /nfs/dbraw/zinc/66/46/72/415664672.db2.gz GAVCGWOMZXVGFN-WMZOPIPTSA-N 2 1 296.418 2.410 20 0 CEADMP C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1c[nH+]ccc1N ZINC000665272542 415665290 /nfs/dbraw/zinc/66/52/90/415665290.db2.gz HBIWHLLFIJVKGG-QFYYESIMSA-N 2 1 268.364 2.414 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665276830 415668005 /nfs/dbraw/zinc/66/80/05/415668005.db2.gz NQLGKLUWPNGQNU-ZTRSQXPZSA-N 2 1 299.462 2.239 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H](NCC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000665280975 415673114 /nfs/dbraw/zinc/67/31/14/415673114.db2.gz QVWMKQBSISLYOS-GVDBMIGSSA-N 2 1 299.503 2.086 20 0 CEADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000665280975 415673120 /nfs/dbraw/zinc/67/31/20/415673120.db2.gz QVWMKQBSISLYOS-GVDBMIGSSA-N 3 1 299.503 2.086 20 0 CEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000665280975 415673125 /nfs/dbraw/zinc/67/31/25/415673125.db2.gz QVWMKQBSISLYOS-GVDBMIGSSA-N 3 1 299.503 2.086 20 0 CEADMP CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(F)cc1 ZINC000665289484 415678396 /nfs/dbraw/zinc/67/83/96/415678396.db2.gz PBUOCSSMFMAVCX-ZDUSSCGKSA-N 2 1 290.342 2.021 20 0 CEADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCCc3ccccc32)n1 ZINC000665291861 415678426 /nfs/dbraw/zinc/67/84/26/415678426.db2.gz MVBAMEMDTYKBCC-OAHLLOKOSA-N 2 1 298.390 2.198 20 0 CEADMP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(Cl)c1 ZINC000665289675 415680620 /nfs/dbraw/zinc/68/06/20/415680620.db2.gz UOBNKXZTYRXJTF-SECBINFHSA-N 2 1 292.770 2.145 20 0 CEADMP C[NH2+]C[C@H](C)[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000665295515 415683638 /nfs/dbraw/zinc/68/36/38/415683638.db2.gz FLGJACRZTVZRJA-NSHDSACASA-N 2 1 283.366 2.131 20 0 CEADMP C[NH2+]C[C@H](C)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000665295590 415683731 /nfs/dbraw/zinc/68/37/31/415683731.db2.gz GGVHVHXHGLXJLS-STQMWFEESA-N 2 1 272.396 2.439 20 0 CEADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000071146212 176042591 /nfs/dbraw/zinc/04/25/91/176042591.db2.gz SAEKFFDCGYVXHS-CYBMUJFWSA-N 2 1 286.375 2.143 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000071146212 176042593 /nfs/dbraw/zinc/04/25/93/176042593.db2.gz SAEKFFDCGYVXHS-CYBMUJFWSA-N 2 1 286.375 2.143 20 0 CEADMP c1nn2ccccc2c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000071372709 176138513 /nfs/dbraw/zinc/13/85/13/176138513.db2.gz OYHHNDNKTIFYLC-UHFFFAOYSA-N 2 1 272.396 2.300 20 0 CEADMP CC(C)[C@H]([NH3+])c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656456172 415716604 /nfs/dbraw/zinc/71/66/04/415716604.db2.gz SFZQMERTORMZCB-WBVHZDCISA-N 2 1 299.422 2.381 20 0 CEADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255564 415720436 /nfs/dbraw/zinc/72/04/36/415720436.db2.gz DCIPUKONFQJXQF-RBSFLKMASA-N 2 1 266.429 2.408 20 0 CEADMP CC(C)(C)[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258397 415723269 /nfs/dbraw/zinc/72/32/69/415723269.db2.gz ULEAICJNIFYBKF-QWHCGFSZSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257163 415723791 /nfs/dbraw/zinc/72/37/91/415723791.db2.gz QIOWONLQQVWCAN-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258467 415724446 /nfs/dbraw/zinc/72/44/46/415724446.db2.gz VAETZBLVVSWRHA-UKRRQHHQSA-N 2 1 272.392 2.127 20 0 CEADMP C[C@H](C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccccc1 ZINC000662258478 415725713 /nfs/dbraw/zinc/72/57/13/415725713.db2.gz VBAGLGDBTRUHKB-ZBFHGGJFSA-N 2 1 274.408 2.243 20 0 CEADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662256992 415726053 /nfs/dbraw/zinc/72/60/53/415726053.db2.gz LDGLUTRAJMYRGC-LBPRGKRZSA-N 2 1 266.410 2.009 20 0 CEADMP c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659851037 415731443 /nfs/dbraw/zinc/73/14/43/415731443.db2.gz XWKXDLLELKEYKR-OAGGEKHMSA-N 2 1 256.393 2.258 20 0 CEADMP CO[C@@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)C1CCCC1 ZINC000662234831 415697971 /nfs/dbraw/zinc/69/79/71/415697971.db2.gz NWBLDPCWJIDDII-INIZCTEOSA-N 2 1 266.429 2.408 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](OC)C1CCCCC1 ZINC000662245093 415706728 /nfs/dbraw/zinc/70/67/28/415706728.db2.gz KDTGJPAUVSPIHL-HUUCEWRRSA-N 2 1 254.418 2.266 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](OC)C1CCCCC1 ZINC000662245093 415706733 /nfs/dbraw/zinc/70/67/33/415706733.db2.gz KDTGJPAUVSPIHL-HUUCEWRRSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC000656503974 415741346 /nfs/dbraw/zinc/74/13/46/415741346.db2.gz OFOQCWYRWFVRMW-ZDUSSCGKSA-N 2 1 259.397 2.402 20 0 CEADMP CC(C)c1cccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000662276653 415742655 /nfs/dbraw/zinc/74/26/55/415742655.db2.gz NWXBVVBUPQWIKJ-GOSISDBHSA-N 2 1 287.451 2.290 20 0 CEADMP Cc1nnsc1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000662273540 415738041 /nfs/dbraw/zinc/73/80/41/415738041.db2.gz OECRPQRFQVGCSQ-UHFFFAOYSA-N 2 1 268.430 2.188 20 0 CEADMP Cc1nnsc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000662273540 415738046 /nfs/dbraw/zinc/73/80/46/415738046.db2.gz OECRPQRFQVGCSQ-UHFFFAOYSA-N 2 1 268.430 2.188 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]3OCC[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000662297137 415763486 /nfs/dbraw/zinc/76/34/86/415763486.db2.gz BFPXJZNAAJGHBX-IRXDYDNUSA-N 2 1 272.392 2.086 20 0 CEADMP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@H]1CCO ZINC000662302300 415765609 /nfs/dbraw/zinc/76/56/09/415765609.db2.gz MHSNDAHLAJUTKD-KDOFPFPSSA-N 2 1 288.435 2.315 20 0 CEADMP COc1ccc([C@@H]2CCC[N@@H+]2CCC[NH3+])cc1F ZINC000662305901 415767188 /nfs/dbraw/zinc/76/71/88/415767188.db2.gz OABRBHYWBQQEDL-ZDUSSCGKSA-N 2 1 252.333 2.320 20 0 CEADMP COc1ccc([C@@H]2CCC[N@H+]2CCC[NH3+])cc1F ZINC000662305901 415767192 /nfs/dbraw/zinc/76/71/92/415767192.db2.gz OABRBHYWBQQEDL-ZDUSSCGKSA-N 2 1 252.333 2.320 20 0 CEADMP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000662307072 415768296 /nfs/dbraw/zinc/76/82/96/415768296.db2.gz UISRJXGZEJRNCU-JKSUJKDBSA-N 2 1 278.440 2.410 20 0 CEADMP CC[N@H+](Cc1ccc(C)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662306081 415769122 /nfs/dbraw/zinc/76/91/22/415769122.db2.gz XBIQCVRIBXPUTL-MRXNPFEDSA-N 2 1 274.408 2.338 20 0 CEADMP CCC1(CC)CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662309113 415769964 /nfs/dbraw/zinc/76/99/64/415769964.db2.gz JCMZWJIBJJFLQL-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP CCCCC[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000662319227 415776766 /nfs/dbraw/zinc/77/67/66/415776766.db2.gz KWLVXEBUCAPCMB-INIZCTEOSA-N 2 1 267.461 2.326 20 0 CEADMP C[N@H+](C[C@@H]1CCc2ccccc21)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662320178 415776785 /nfs/dbraw/zinc/77/67/85/415776785.db2.gz AIIDCKRFKSRBHV-HOTGVXAUSA-N 2 1 286.419 2.169 20 0 CEADMP CC(C)c1cccc(C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662282527 415750133 /nfs/dbraw/zinc/75/01/33/415750133.db2.gz BGWDOHSVLIDSHS-UHFFFAOYSA-N 2 1 262.397 2.014 20 0 CEADMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294548 415758544 /nfs/dbraw/zinc/75/85/44/415758544.db2.gz CJWMMFICXWMBPL-SQWLQELKSA-N 2 1 295.471 2.001 20 0 CEADMP CCc1noc([C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662294440 415758709 /nfs/dbraw/zinc/75/87/09/415758709.db2.gz WCUVBAKWNQPIJY-GXTWGEPZSA-N 2 1 292.427 2.405 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@H+](CCOc2ccccc2)CCO1 ZINC000662318527 415779031 /nfs/dbraw/zinc/77/90/31/415779031.db2.gz AZTSZVKDODWZDV-KRWDZBQOSA-N 2 1 292.423 2.108 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCOc2ccccc2)CCO1 ZINC000662318527 415779037 /nfs/dbraw/zinc/77/90/37/415779037.db2.gz AZTSZVKDODWZDV-KRWDZBQOSA-N 2 1 292.423 2.108 20 0 CEADMP CC(C)CCOCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324206 415781122 /nfs/dbraw/zinc/78/11/22/415781122.db2.gz VWSTWRCSPJFLTI-MRXNPFEDSA-N 2 1 286.460 2.092 20 0 CEADMP CC(C)CCOCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324206 415781126 /nfs/dbraw/zinc/78/11/26/415781126.db2.gz VWSTWRCSPJFLTI-MRXNPFEDSA-N 2 1 286.460 2.092 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC2CCCC2)CCO1 ZINC000662324368 415781980 /nfs/dbraw/zinc/78/19/80/415781980.db2.gz WJSGBBXPKSWZIH-HNNXBMFYSA-N 2 1 254.418 2.219 20 0 CEADMP CC(C)C[C@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325236 415782783 /nfs/dbraw/zinc/78/27/83/415782783.db2.gz DEASBRUIGNASOW-GJZGRUSLSA-N 2 1 256.434 2.464 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC(C)(C)C)CCO1 ZINC000662324122 415782830 /nfs/dbraw/zinc/78/28/30/415782830.db2.gz VCJAKSKXSUJHIH-CQSZACIVSA-N 2 1 256.434 2.465 20 0 CEADMP CC(C)[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000662342500 415790975 /nfs/dbraw/zinc/79/09/75/415790975.db2.gz GUESDFOHKJWZSF-AWEZNQCLSA-N 2 1 297.830 2.057 20 0 CEADMP C[N@H+](CCO[C@H]1CC1(F)F)CC[C@@H]1CCCC[NH+]1C ZINC000659961501 415810011 /nfs/dbraw/zinc/81/00/11/415810011.db2.gz PIZQGOPBSBUTKK-STQMWFEESA-N 2 1 276.371 2.217 20 0 CEADMP C[N@@H+](CCO[C@H]1CC1(F)F)CC[C@@H]1CCCC[NH+]1C ZINC000659961501 415810021 /nfs/dbraw/zinc/81/00/21/415810021.db2.gz PIZQGOPBSBUTKK-STQMWFEESA-N 2 1 276.371 2.217 20 0 CEADMP C[NH+](CCO[C@H]1CC1(F)F)CC[C@@H]1CCCC[N@@H+]1C ZINC000659961501 415810028 /nfs/dbraw/zinc/81/00/28/415810028.db2.gz PIZQGOPBSBUTKK-STQMWFEESA-N 2 1 276.371 2.217 20 0 CEADMP C[NH+](CCO[C@H]1CC1(F)F)CC[C@@H]1CCCC[N@H+]1C ZINC000659961501 415810034 /nfs/dbraw/zinc/81/00/34/415810034.db2.gz PIZQGOPBSBUTKK-STQMWFEESA-N 2 1 276.371 2.217 20 0 CEADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1COC(C)(C)C1 ZINC000659959401 415812121 /nfs/dbraw/zinc/81/21/21/415812121.db2.gz DQPDBJMIPDSUSY-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1COC(C)(C)C1 ZINC000659959401 415812125 /nfs/dbraw/zinc/81/21/25/415812125.db2.gz DQPDBJMIPDSUSY-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@H]1COC(C)(C)C1 ZINC000659959401 415812131 /nfs/dbraw/zinc/81/21/31/415812131.db2.gz DQPDBJMIPDSUSY-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@H]1COC(C)(C)C1 ZINC000659959401 415812136 /nfs/dbraw/zinc/81/21/36/415812136.db2.gz DQPDBJMIPDSUSY-UONOGXRCSA-N 2 1 254.418 2.360 20 0 CEADMP COc1ccc([C@H](C)N(C)C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000656693607 415815319 /nfs/dbraw/zinc/81/53/19/415815319.db2.gz BQCLJEJXAVNYLP-HOCLYGCPSA-N 2 1 294.439 2.389 20 0 CEADMP COc1ccc([C@@H](C)N(C)C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000656693609 415816253 /nfs/dbraw/zinc/81/62/53/415816253.db2.gz BQCLJEJXAVNYLP-ZBFHGGJFSA-N 2 1 294.439 2.389 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC000659976055 415817556 /nfs/dbraw/zinc/81/75/56/415817556.db2.gz PVOSRKJXRWPFBE-GDBMZVCRSA-N 2 1 268.445 2.465 20 0 CEADMP CC[C@]1(C)CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000659975817 415818297 /nfs/dbraw/zinc/81/82/97/415818297.db2.gz OVMKSPZWMWXXDN-HUUCEWRRSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@]1(C)CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000659975817 415818302 /nfs/dbraw/zinc/81/83/02/415818302.db2.gz OVMKSPZWMWXXDN-HUUCEWRRSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@]1(C)CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000659975817 415818306 /nfs/dbraw/zinc/81/83/06/415818306.db2.gz OVMKSPZWMWXXDN-HUUCEWRRSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CCC2)[C@H](C)C1 ZINC000660081192 415875114 /nfs/dbraw/zinc/87/51/14/415875114.db2.gz GCPNKLKYMYUZFS-KBMXLJTQSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](OC)C2CCC2)[C@H](C)C1 ZINC000660081192 415875119 /nfs/dbraw/zinc/87/51/19/415875119.db2.gz GCPNKLKYMYUZFS-KBMXLJTQSA-N 2 1 268.445 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](OC)C2CCC2)[C@H](C)C1 ZINC000660081192 415875124 /nfs/dbraw/zinc/87/51/24/415875124.db2.gz GCPNKLKYMYUZFS-KBMXLJTQSA-N 2 1 268.445 2.464 20 0 CEADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)sn1 ZINC000660113112 415883697 /nfs/dbraw/zinc/88/36/97/415883697.db2.gz MMFQEODVDMDDCE-YPMHNXCESA-N 2 1 292.408 2.431 20 0 CEADMP COc1cc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)sn1 ZINC000660113112 415883700 /nfs/dbraw/zinc/88/37/00/415883700.db2.gz MMFQEODVDMDDCE-YPMHNXCESA-N 2 1 292.408 2.431 20 0 CEADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000662622101 415907909 /nfs/dbraw/zinc/90/79/09/415907909.db2.gz OMURRCHOQNPGJT-DOMZBBRYSA-N 2 1 289.423 2.309 20 0 CEADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H](C)[NH3+] ZINC000662669062 415925919 /nfs/dbraw/zinc/92/59/19/415925919.db2.gz URUVYASFGQBZGQ-FMKPAKJESA-N 2 1 295.471 2.129 20 0 CEADMP c1cncc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785519 415859526 /nfs/dbraw/zinc/85/95/26/415859526.db2.gz LIMGUNVFSBINFV-MRXNPFEDSA-N 2 1 259.397 2.293 20 0 CEADMP c1nc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656783958 415859717 /nfs/dbraw/zinc/85/97/17/415859717.db2.gz BOEKAXPBDAYDIP-CYBMUJFWSA-N 2 1 265.426 2.355 20 0 CEADMP c1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656786941 415861144 /nfs/dbraw/zinc/86/11/44/415861144.db2.gz XXSORRASCRNPCA-HNNXBMFYSA-N 2 1 259.397 2.293 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662788936 415962758 /nfs/dbraw/zinc/96/27/58/415962758.db2.gz XRWNSUWLSZTSDK-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CCC[C@@](C[NH2+]C2CCC(O)CC2)([NH+](C)C)C1 ZINC000235309600 287429495 /nfs/dbraw/zinc/42/94/95/287429495.db2.gz FREJJKFAUAQLGC-PRLABOORSA-N 2 1 268.445 2.390 20 0 CEADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666769300 419424200 /nfs/dbraw/zinc/42/42/00/419424200.db2.gz YIQLNCSAYAOGEK-ZIAGYGMSSA-N 2 1 260.381 2.284 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770445 419425091 /nfs/dbraw/zinc/42/50/91/419425091.db2.gz AGTVOFWAXOCRIV-OCCSQVGLSA-N 2 1 250.361 2.488 20 0 CEADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000666966075 419498865 /nfs/dbraw/zinc/49/88/65/419498865.db2.gz GYTGRWABTZMRQZ-WFASDCNBSA-N 2 1 260.381 2.283 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)n21 ZINC000666997070 419507482 /nfs/dbraw/zinc/50/74/82/419507482.db2.gz VJDUTMOTAFHYAV-AWEZNQCLSA-N 2 1 284.407 2.407 20 0 CEADMP CC(C)n1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000666998475 419508058 /nfs/dbraw/zinc/50/80/58/419508058.db2.gz WDPKGTNNGRJKEA-AWEZNQCLSA-N 2 1 262.401 2.228 20 0 CEADMP CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccncc1C ZINC000666494262 419693693 /nfs/dbraw/zinc/69/36/93/419693693.db2.gz SIEDAVZPHOESRI-UHFFFAOYSA-N 2 1 278.400 2.054 20 0 CEADMP CCC[NH+]1CCC(N(C)Cc2c[nH+]c(C)n2C)CC1 ZINC000667534190 419703527 /nfs/dbraw/zinc/70/35/27/419703527.db2.gz PVHNGJWIKYJUQL-UHFFFAOYSA-N 2 1 264.417 2.035 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)CC[NH2+]1 ZINC000666649580 419761713 /nfs/dbraw/zinc/76/17/13/419761713.db2.gz DNWMDHWEWKSPNF-UMVBOHGHSA-N 2 1 276.428 2.117 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](OC(F)F)C2)CC[NH2+]1 ZINC000666654579 419765210 /nfs/dbraw/zinc/76/52/10/419765210.db2.gz YACFMDXKDCPBGQ-WOPDTQHZSA-N 2 1 262.344 2.078 20 0 CEADMP C1CC1[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CO1 ZINC000667806611 419814881 /nfs/dbraw/zinc/81/48/81/419814881.db2.gz NSNPKGBQJOMUMY-GDBMZVCRSA-N 2 1 264.413 2.160 20 0 CEADMP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1([NH+]2CCCC2)CCOCC1 ZINC000667851416 419828254 /nfs/dbraw/zinc/82/82/54/419828254.db2.gz MQPNKJYCPLLGJK-OWCLPIDISA-N 2 1 278.440 2.410 20 0 CEADMP Cc1ncsc1CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000391219497 270340488 /nfs/dbraw/zinc/34/04/88/270340488.db2.gz YFRQVOLBYNOKAI-ZYHUDNBSSA-N 2 1 253.415 2.114 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000449127024 260233591 /nfs/dbraw/zinc/23/35/91/260233591.db2.gz WADHSBCQZOGTGD-HUUCEWRRSA-N 2 1 297.487 2.391 20 0 CEADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000518607727 260466162 /nfs/dbraw/zinc/46/61/62/260466162.db2.gz MBBYKFGORWTHHO-FUHWJXTLSA-N 2 1 299.418 2.202 20 0 CEADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000518607727 260466163 /nfs/dbraw/zinc/46/61/63/260466163.db2.gz MBBYKFGORWTHHO-FUHWJXTLSA-N 2 1 299.418 2.202 20 0 CEADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CC2(CCC2)C1 ZINC000448057683 260794707 /nfs/dbraw/zinc/79/47/07/260794707.db2.gz ZCVOMZBSGIEBNN-OAHLLOKOSA-N 2 1 266.429 2.146 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCC12CCC2 ZINC000449079237 261152354 /nfs/dbraw/zinc/15/23/54/261152354.db2.gz NXIIWBKPSOBNAD-CQSZACIVSA-N 2 1 254.418 2.267 20 0 CEADMP CCOC(=O)N[C@@H](C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1)CC(C)C ZINC000497215087 262108434 /nfs/dbraw/zinc/10/84/34/262108434.db2.gz PSHIKWKZTCCMPW-KFWWJZLASA-N 2 1 299.459 2.267 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000497265347 262128526 /nfs/dbraw/zinc/12/85/26/262128526.db2.gz OEUZMYPRKUURKF-CQSZACIVSA-N 2 1 299.459 2.223 20 0 CEADMP CN(C)C(=O)O[C@@H]1CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000497285405 262134363 /nfs/dbraw/zinc/13/43/63/262134363.db2.gz SSYPOUQWXYYGDM-LSDHHAIUSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)O[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000497285405 262134366 /nfs/dbraw/zinc/13/43/66/262134366.db2.gz SSYPOUQWXYYGDM-LSDHHAIUSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)O[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000497285405 262134369 /nfs/dbraw/zinc/13/43/69/262134369.db2.gz SSYPOUQWXYYGDM-LSDHHAIUSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)O[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000497285405 262134371 /nfs/dbraw/zinc/13/43/71/262134371.db2.gz SSYPOUQWXYYGDM-LSDHHAIUSA-N 2 1 297.443 2.023 20 0 CEADMP CN(C)C(=O)O[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000497285405 262134373 /nfs/dbraw/zinc/13/43/73/262134373.db2.gz SSYPOUQWXYYGDM-LSDHHAIUSA-N 2 1 297.443 2.023 20 0 CEADMP c1nn(Cc2ccccc2)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000390157745 262143378 /nfs/dbraw/zinc/14/33/78/262143378.db2.gz XPIHDWIQXHFFKC-MRXNPFEDSA-N 2 1 284.407 2.021 20 0 CEADMP CC1CC[NH+](CCCN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000221826046 262301400 /nfs/dbraw/zinc/30/14/00/262301400.db2.gz RPSLMFXGWZSAQM-JKSUJKDBSA-N 2 1 267.461 2.181 20 0 CEADMP Cc1cc(N2CCC([NH2+]C[C@@H]3C[C@H]3C)CC2)nc(C)[nH+]1 ZINC000488558691 262349574 /nfs/dbraw/zinc/34/95/74/262349574.db2.gz NDGQJYOLQLVGMP-RISCZKNCSA-N 2 1 274.412 2.308 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)C[C@@H](O)Cc2ccccc2)CC[N@@H+]1C ZINC000425423004 264312497 /nfs/dbraw/zinc/31/24/97/264312497.db2.gz NNDYUVWDXSRMSR-UAGQMJEPSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)C[C@@H](O)Cc2ccccc2)CC[N@H+]1C ZINC000425423004 264312500 /nfs/dbraw/zinc/31/25/00/264312500.db2.gz NNDYUVWDXSRMSR-UAGQMJEPSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)C[C@@H](O)Cc2ccccc2)CC[NH+]1C ZINC000425423004 264312503 /nfs/dbraw/zinc/31/25/03/264312503.db2.gz NNDYUVWDXSRMSR-UAGQMJEPSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2)CC[NH+]1C ZINC000425423004 264312506 /nfs/dbraw/zinc/31/25/06/264312506.db2.gz NNDYUVWDXSRMSR-UAGQMJEPSA-N 2 1 276.424 2.005 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCOCC(F)(F)F)C[C@H]1C[NH3+] ZINC000397403211 270354528 /nfs/dbraw/zinc/35/45/28/270354528.db2.gz KSWDVIWCCNHECZ-IJLUTSLNSA-N 2 1 282.350 2.261 20 0 CEADMP COc1ccc(OCCC[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000442791017 265000252 /nfs/dbraw/zinc/00/02/52/265000252.db2.gz MYZYIJVCDLXZIY-KGLIPLIRSA-N 2 1 278.396 2.133 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000011888509 265308748 /nfs/dbraw/zinc/30/87/48/265308748.db2.gz BXEGIFWDCDZEGC-CQSZACIVSA-N 2 1 250.361 2.429 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CC[C@@H]2CCCO2)CC1 ZINC000189502471 270262749 /nfs/dbraw/zinc/26/27/49/270262749.db2.gz QCQGXMZKAYEKTQ-HNNXBMFYSA-N 2 1 254.418 2.362 20 0 CEADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000192733194 270279713 /nfs/dbraw/zinc/27/97/13/270279713.db2.gz ARLGAASQKLTFPT-UHFFFAOYSA-N 2 1 267.461 2.277 20 0 CEADMP CC1(C)CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000227800998 270312429 /nfs/dbraw/zinc/31/24/29/270312429.db2.gz IOCYZWWUBQUPQV-HOTGVXAUSA-N 2 1 276.424 2.039 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236766572 270317622 /nfs/dbraw/zinc/31/76/22/270317622.db2.gz KXYKUPAZBWNXIW-HNNXBMFYSA-N 2 1 275.396 2.219 20 0 CEADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000259059924 270329387 /nfs/dbraw/zinc/32/93/87/270329387.db2.gz QDABIYAPOYFGQR-NWDGAFQWSA-N 2 1 254.761 2.318 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C1CCC(C)(C)CC1 ZINC000311152029 270333089 /nfs/dbraw/zinc/33/30/89/270333089.db2.gz NKITTZMZBAKBIW-AWEZNQCLSA-N 2 1 256.434 2.200 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CCC(C)(C)CC1 ZINC000311152029 270333091 /nfs/dbraw/zinc/33/30/91/270333091.db2.gz NKITTZMZBAKBIW-AWEZNQCLSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C1CCC(C)(C)CC1 ZINC000311152029 270333092 /nfs/dbraw/zinc/33/30/92/270333092.db2.gz NKITTZMZBAKBIW-AWEZNQCLSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000311152029 270333094 /nfs/dbraw/zinc/33/30/94/270333094.db2.gz NKITTZMZBAKBIW-AWEZNQCLSA-N 2 1 256.434 2.200 20 0 CEADMP C[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000396345961 270349529 /nfs/dbraw/zinc/34/95/29/270349529.db2.gz QNZADHOLDIBWMW-WMZOPIPTSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@@H]([NH3+])CN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000420317357 270515202 /nfs/dbraw/zinc/51/52/02/270515202.db2.gz MWSQFOUYOVLZQI-OLZOCXBDSA-N 2 1 281.831 2.366 20 0 CEADMP C[N@@H+](CCCN[C@@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000422809249 270778807 /nfs/dbraw/zinc/77/88/07/270778807.db2.gz ROGZALCXDOTTFQ-HUUCEWRRSA-N 2 1 253.434 2.110 20 0 CEADMP CC[C@H](NC[C@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423084539 270831892 /nfs/dbraw/zinc/83/18/92/270831892.db2.gz IHALYTSOELKMLW-SOUVJXGZSA-N 2 1 267.461 2.227 20 0 CEADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)CC2 ZINC000423280728 270888132 /nfs/dbraw/zinc/88/81/32/270888132.db2.gz UMJCNZQXKUGVNM-KGLIPLIRSA-N 2 1 278.396 2.264 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1NC(C)=O ZINC000423287798 270889796 /nfs/dbraw/zinc/88/97/96/270889796.db2.gz OQRFFXDOKRJYGD-SNVBAGLBSA-N 2 1 279.384 2.042 20 0 CEADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(F)cc1 ZINC000423498767 270918253 /nfs/dbraw/zinc/91/82/53/270918253.db2.gz CBEUIRCZTPGZBT-CABCVRRESA-N 2 1 266.360 2.245 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)C[C@H]2C1 ZINC000424267162 271037877 /nfs/dbraw/zinc/03/78/77/271037877.db2.gz MBHDVAWSQHJDAB-PHPOFCCKSA-N 2 1 278.440 2.406 20 0 CEADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)C[C@H]2C1 ZINC000424267162 271037879 /nfs/dbraw/zinc/03/78/79/271037879.db2.gz MBHDVAWSQHJDAB-PHPOFCCKSA-N 2 1 278.440 2.406 20 0 CEADMP COCCCCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424285147 271039994 /nfs/dbraw/zinc/03/99/94/271039994.db2.gz FHJYVQLUUCJQMY-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424292007 271041508 /nfs/dbraw/zinc/04/15/08/271041508.db2.gz NXECPQUNWCCENF-HNNXBMFYSA-N 3 1 267.461 2.182 20 0 CEADMP CC[N@@H+](CCNC(=O)Nc1cc(C)cc(C[NH3+])c1)C(C)C ZINC000424426809 271054699 /nfs/dbraw/zinc/05/46/99/271054699.db2.gz AWOOXCRFUJLSNR-UHFFFAOYSA-N 2 1 292.427 2.306 20 0 CEADMP CS[C@H]1CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000425342416 271157628 /nfs/dbraw/zinc/15/76/28/271157628.db2.gz HFCAWZANHBZZRB-GTGGMXTKSA-N 2 1 254.443 2.485 20 0 CEADMP CS[C@H]1CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000425342416 271157632 /nfs/dbraw/zinc/15/76/32/271157632.db2.gz HFCAWZANHBZZRB-GTGGMXTKSA-N 2 1 254.443 2.485 20 0 CEADMP CC(C)c1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000426295106 271211104 /nfs/dbraw/zinc/21/11/04/271211104.db2.gz MNIYWRJEKUGULR-NWDGAFQWSA-N 2 1 282.457 2.276 20 0 CEADMP C[C@@H]1C[C@H]1[N@H+]1CCN(CC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000428994896 271304617 /nfs/dbraw/zinc/30/46/17/271304617.db2.gz NYCXUMQFARKOON-BRWVUGGUSA-N 2 1 279.472 2.134 20 0 CEADMP C[C@](C[NH3+])([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)C1CC1 ZINC000430558450 271390538 /nfs/dbraw/zinc/39/05/38/271390538.db2.gz AVHPTGREPMYXLN-OAHLLOKOSA-N 2 1 297.349 2.010 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430571885 271392439 /nfs/dbraw/zinc/39/24/39/271392439.db2.gz DLRJRJMMSWKIRY-CAOSSQGBSA-N 2 1 295.471 2.225 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430571885 271392442 /nfs/dbraw/zinc/39/24/42/271392442.db2.gz DLRJRJMMSWKIRY-CAOSSQGBSA-N 2 1 295.471 2.225 20 0 CEADMP Cn1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(-c2cccnc2)n1 ZINC000442920546 271843328 /nfs/dbraw/zinc/84/33/28/271843328.db2.gz HCHGDYGNXQIROK-CQSZACIVSA-N 2 1 299.422 2.043 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCOc3ccc(F)cc3C2)CC[NH2+]1 ZINC000334880898 274385644 /nfs/dbraw/zinc/38/56/44/274385644.db2.gz HURDBWYEPIHCIT-OLZOCXBDSA-N 2 1 278.371 2.408 20 0 CEADMP O[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000037859730 275052293 /nfs/dbraw/zinc/05/22/93/275052293.db2.gz NDZAZJYSAXOEBA-DOTOQJQBSA-N 2 1 274.408 2.110 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCSC1 ZINC000336707163 275395522 /nfs/dbraw/zinc/39/55/22/275395522.db2.gz NFVOSPKMCXDZLW-MJBXVCDLSA-N 2 1 254.443 2.346 20 0 CEADMP C([C@H]1CCC[N@@H+]([C@@H]2CCOC2)C1)[NH+]1CCCCCC1 ZINC000334353093 275397581 /nfs/dbraw/zinc/39/75/81/275397581.db2.gz XVRONAWYNCAXHL-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP C([C@H]1CCC[N@H+]([C@@H]2CCOC2)C1)[NH+]1CCCCCC1 ZINC000334353093 275397582 /nfs/dbraw/zinc/39/75/82/275397582.db2.gz XVRONAWYNCAXHL-HZPDHXFCSA-N 2 1 266.429 2.363 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C2CC[NH2+]CC2)c2cc(N)ccc2O1 ZINC000332301244 275859757 /nfs/dbraw/zinc/85/97/57/275859757.db2.gz NHVHEMRYVYATRW-CQSZACIVSA-N 2 1 275.396 2.213 20 0 CEADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000355144339 276024969 /nfs/dbraw/zinc/02/49/69/276024969.db2.gz SVRLZIFYYBJKQB-HZPDHXFCSA-N 2 1 297.487 2.390 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(C)n[nH]c2C)C1 ZINC000131390542 276106410 /nfs/dbraw/zinc/10/64/10/276106410.db2.gz RPWWXNFSHGJQLX-AWEZNQCLSA-N 2 1 264.417 2.190 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C)n[nH]c2C)C1 ZINC000131390542 276106411 /nfs/dbraw/zinc/10/64/11/276106411.db2.gz RPWWXNFSHGJQLX-AWEZNQCLSA-N 2 1 264.417 2.190 20 0 CEADMP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCc3[nH]ncc32)CC1 ZINC000367602790 276148855 /nfs/dbraw/zinc/14/88/55/276148855.db2.gz WJGSCZDQVIYJNI-OAHLLOKOSA-N 2 1 276.428 2.499 20 0 CEADMP CC1CCC(O)(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000366013378 276191680 /nfs/dbraw/zinc/19/16/80/276191680.db2.gz WVFOWXSIYXLPTC-ISXOHVOVSA-N 2 1 291.439 2.319 20 0 CEADMP CC1CCC(O)(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000366013378 276191681 /nfs/dbraw/zinc/19/16/81/276191681.db2.gz WVFOWXSIYXLPTC-ISXOHVOVSA-N 2 1 291.439 2.319 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000358383465 276216686 /nfs/dbraw/zinc/21/66/86/276216686.db2.gz OXRJONIYFZOSAR-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000358383465 276216688 /nfs/dbraw/zinc/21/66/88/276216688.db2.gz OXRJONIYFZOSAR-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCCC[C@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414704814 276229225 /nfs/dbraw/zinc/22/92/25/276229225.db2.gz JRZVDWZUAAZGCV-HOTGVXAUSA-N 2 1 295.471 2.228 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@]2(C)OCCc3sccc32)CC1 ZINC000289732188 277030989 /nfs/dbraw/zinc/03/09/89/277030989.db2.gz GUSRVGUNGKLEPO-OAHLLOKOSA-N 2 1 280.437 2.220 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+]([C@@H]1Cc3ccccc3[C@@H]1O)CC2 ZINC000360322561 277042351 /nfs/dbraw/zinc/04/23/51/277042351.db2.gz JUMLZGNOUBHGLI-SJORKVTESA-N 2 1 286.419 2.205 20 0 CEADMP C[N@H+]1CCCC12CC[NH+]([C@@H]1Cc3ccccc3[C@@H]1O)CC2 ZINC000360322561 277042354 /nfs/dbraw/zinc/04/23/54/277042354.db2.gz JUMLZGNOUBHGLI-SJORKVTESA-N 2 1 286.419 2.205 20 0 CEADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCSC3)CC[C@@H]21 ZINC000375757045 277069020 /nfs/dbraw/zinc/06/90/20/277069020.db2.gz ITZQLDIOVNDZDB-MCIONIFRSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCSC3)CC[C@@H]21 ZINC000375757045 277069021 /nfs/dbraw/zinc/06/90/21/277069021.db2.gz ITZQLDIOVNDZDB-MCIONIFRSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCSC3)CC[C@@H]21 ZINC000375757045 277069022 /nfs/dbraw/zinc/06/90/22/277069022.db2.gz ITZQLDIOVNDZDB-MCIONIFRSA-N 2 1 254.443 2.156 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1(C)C ZINC000337372793 277106120 /nfs/dbraw/zinc/10/61/20/277106120.db2.gz DLOIHUDPJWPMCV-ZMSDIMECSA-N 2 1 279.472 2.181 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4ccc(F)cc43)C[C@@H]2C1 ZINC000193646049 277198903 /nfs/dbraw/zinc/19/89/03/277198903.db2.gz CYRBPLRWIZVBHU-DVOMOZLQSA-N 2 1 260.356 2.306 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4ccc(F)cc43)C[C@@H]2C1 ZINC000193646049 277198904 /nfs/dbraw/zinc/19/89/04/277198904.db2.gz CYRBPLRWIZVBHU-DVOMOZLQSA-N 2 1 260.356 2.306 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4ccc(F)cc43)C[C@@H]2C1 ZINC000193646049 277198905 /nfs/dbraw/zinc/19/89/05/277198905.db2.gz CYRBPLRWIZVBHU-DVOMOZLQSA-N 2 1 260.356 2.306 20 0 CEADMP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000348103921 277258857 /nfs/dbraw/zinc/25/88/57/277258857.db2.gz MYEHBAQDHUIDSJ-GJZGRUSLSA-N 2 1 268.445 2.248 20 0 CEADMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000341902022 277286663 /nfs/dbraw/zinc/28/66/63/277286663.db2.gz HJQPIMDUERFFBG-APIJFGDWSA-N 2 1 252.402 2.018 20 0 CEADMP COC(=O)C1CCC([NH2+]C[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000414922921 277311722 /nfs/dbraw/zinc/31/17/22/277311722.db2.gz DILBJOAFXFZCAF-JXQTWKCFSA-N 2 1 282.428 2.086 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](CCC2CCCCC2)CC(N)=O)CC[NH2+]1 ZINC000414695062 278010292 /nfs/dbraw/zinc/01/02/92/278010292.db2.gz ORZGBFYSVATCFF-GDBMZVCRSA-N 2 1 295.471 2.132 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCOC[C@@H]2Cc2ccccc2)CC[NH2+]1 ZINC000414668570 278011719 /nfs/dbraw/zinc/01/17/19/278011719.db2.gz AGPZIMZUXOSLBD-NXHRZFHOSA-N 2 1 288.435 2.318 20 0 CEADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000364811011 278125858 /nfs/dbraw/zinc/12/58/58/278125858.db2.gz ZGLFCJWLFQCOMV-RBSFLKMASA-N 2 1 298.496 2.361 20 0 CEADMP CS[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000376547877 278159333 /nfs/dbraw/zinc/15/93/33/278159333.db2.gz MEJDAWJJCPEBIH-GBJTYRQASA-N 2 1 286.485 2.217 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)C[NH+]1CCCCC1 ZINC000367625491 278209731 /nfs/dbraw/zinc/20/97/31/278209731.db2.gz YIYUDNCRYDNMML-UKRRQHHQSA-N 2 1 276.428 2.499 20 0 CEADMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@@H]1CCCO1 ZINC000359084788 278253047 /nfs/dbraw/zinc/25/30/47/278253047.db2.gz RUHNZDJIHIBALD-PPWQZUPISA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H]1CC[C@@H](C[NH+]2CCC([NH+]3CCCC3)CC2)O1 ZINC000188546290 278377381 /nfs/dbraw/zinc/37/73/81/278377381.db2.gz XMSYDOKNKWPLSF-ZFWWWQNUSA-N 2 1 252.402 2.114 20 0 CEADMP CCN(CC[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262913256 279187123 /nfs/dbraw/zinc/18/71/23/279187123.db2.gz FZPIMBOOYBOTGE-GDBMZVCRSA-N 2 1 261.413 2.103 20 0 CEADMP C[C@H](CC[NH3+])[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000414891640 279262334 /nfs/dbraw/zinc/26/23/34/279262334.db2.gz VWFNVALVGVWPCL-VHSXEESVSA-N 2 1 253.415 2.095 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415084930 279275128 /nfs/dbraw/zinc/27/51/28/279275128.db2.gz RXMCBOQMOWBWPI-YYIAUSFCSA-N 2 1 279.472 2.371 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415084930 279275130 /nfs/dbraw/zinc/27/51/30/279275130.db2.gz RXMCBOQMOWBWPI-YYIAUSFCSA-N 2 1 279.472 2.371 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415084926 279275154 /nfs/dbraw/zinc/27/51/54/279275154.db2.gz RXMCBOQMOWBWPI-QBPKDAKJSA-N 2 1 279.472 2.371 20 0 CEADMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415084926 279275156 /nfs/dbraw/zinc/27/51/56/279275156.db2.gz RXMCBOQMOWBWPI-QBPKDAKJSA-N 2 1 279.472 2.371 20 0 CEADMP CCC(C)(C)NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047969149 279611264 /nfs/dbraw/zinc/61/12/64/279611264.db2.gz GQMPOXXVFZOAOP-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CCn1nccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000125123063 279808306 /nfs/dbraw/zinc/80/83/06/279808306.db2.gz YLGVIFWGTYYZQX-UHFFFAOYSA-N 2 1 264.417 2.302 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@@H](C)Cn3cccn3)CC2)[nH+]c1 ZINC000137481255 280068537 /nfs/dbraw/zinc/06/85/37/280068537.db2.gz MTZNAGZTDYNRMK-HNNXBMFYSA-N 2 1 299.422 2.234 20 0 CEADMP CCC[N@H+]1CC[C@H](CNCc2cc(O)cc(F)c2)C1 ZINC000185487386 280124880 /nfs/dbraw/zinc/12/48/80/280124880.db2.gz FRNNRHQOCODEHD-GFCCVEGCSA-N 2 1 266.360 2.353 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CCO)CC(C)C)[C@H](C)C1 ZINC000246865158 280312710 /nfs/dbraw/zinc/31/27/10/280312710.db2.gz CRNQCAJLAHONJA-OAGGEKHMSA-N 2 1 270.461 2.351 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCCOC(C)C)[C@@H](C)C1 ZINC000247018480 280317814 /nfs/dbraw/zinc/31/78/14/280317814.db2.gz LZCRVCUCDVJVQG-GJZGRUSLSA-N 2 1 256.434 2.464 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOC(C)C)[C@@H](C)C1 ZINC000247018480 280317815 /nfs/dbraw/zinc/31/78/15/280317815.db2.gz LZCRVCUCDVJVQG-GJZGRUSLSA-N 2 1 256.434 2.464 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCCOC(C)C)[C@@H](C)C1 ZINC000247018480 280317813 /nfs/dbraw/zinc/31/78/13/280317813.db2.gz LZCRVCUCDVJVQG-GJZGRUSLSA-N 2 1 256.434 2.464 20 0 CEADMP CC[N@H+]1CC[C@H](NCC[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000247069758 280319658 /nfs/dbraw/zinc/31/96/58/280319658.db2.gz OEGWBJAPOOIZLI-JYJNAYRXSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000247069758 280319660 /nfs/dbraw/zinc/31/96/60/280319660.db2.gz OEGWBJAPOOIZLI-JYJNAYRXSA-N 2 1 267.461 2.038 20 0 CEADMP CC[NH+]1CC[C@H](NCC[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000247069758 280319662 /nfs/dbraw/zinc/31/96/62/280319662.db2.gz OEGWBJAPOOIZLI-JYJNAYRXSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000247103471 280320614 /nfs/dbraw/zinc/32/06/14/280320614.db2.gz QBPZLMOLYIFWLN-WMLDXEAASA-N 2 1 279.472 2.181 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000247269829 280324417 /nfs/dbraw/zinc/32/44/17/280324417.db2.gz ZYFBNNZUMCCLGE-HUUCEWRRSA-N 2 1 255.450 2.038 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000247269829 280324420 /nfs/dbraw/zinc/32/44/20/280324420.db2.gz ZYFBNNZUMCCLGE-HUUCEWRRSA-N 2 1 255.450 2.038 20 0 CEADMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247269829 280324424 /nfs/dbraw/zinc/32/44/24/280324424.db2.gz ZYFBNNZUMCCLGE-HUUCEWRRSA-N 2 1 255.450 2.038 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000248834167 280367105 /nfs/dbraw/zinc/36/71/05/280367105.db2.gz NHAGRVCYHDXZDJ-HOTGVXAUSA-N 2 1 284.444 2.193 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000248834167 280367106 /nfs/dbraw/zinc/36/71/06/280367106.db2.gz NHAGRVCYHDXZDJ-HOTGVXAUSA-N 2 1 284.444 2.193 20 0 CEADMP COC(=O)C1CCC([NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000249039950 280380533 /nfs/dbraw/zinc/38/05/33/280380533.db2.gz MZNJSMXQGGZVKG-QVOMUQBLSA-N 2 1 296.455 2.428 20 0 CEADMP COC(=O)C1CCC([NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000249039950 280380534 /nfs/dbraw/zinc/38/05/34/280380534.db2.gz MZNJSMXQGGZVKG-QVOMUQBLSA-N 2 1 296.455 2.428 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C)[C@@H]2C)CC1 ZINC000249459616 280398444 /nfs/dbraw/zinc/39/84/44/280398444.db2.gz YZSYBOMIQHKRPF-CVEARBPZSA-N 2 1 267.461 2.133 20 0 CEADMP COC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccc(F)c(F)c1 ZINC000423012025 280993867 /nfs/dbraw/zinc/99/38/67/280993867.db2.gz BUZGRICMTKLMKB-RULNRJAQSA-N 2 1 272.339 2.368 20 0 CEADMP C[C@@H](CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C)[NH+]1CCCCC1 ZINC000423033290 281003690 /nfs/dbraw/zinc/00/36/90/281003690.db2.gz OAGZJPAJUMVLLC-PMPSAXMXSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1CCC([NH3+])CC1 ZINC000423048009 281008829 /nfs/dbraw/zinc/00/88/29/281008829.db2.gz HLLKHMVKJSBXOX-WLYUNCDWSA-N 3 1 253.434 2.110 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423048143 281009318 /nfs/dbraw/zinc/00/93/18/281009318.db2.gz IFASAFCQKSGWEO-MXASKKJJSA-N 2 1 274.408 2.494 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423050180 281010463 /nfs/dbraw/zinc/01/04/63/281010463.db2.gz LCULBORQFCOZHV-LRDDRELGSA-N 2 1 289.398 2.448 20 0 CEADMP COc1cc(F)c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000423403338 281029395 /nfs/dbraw/zinc/02/93/95/281029395.db2.gz SAYOUBGRRJDHRO-SUNKGSAMSA-N 2 1 296.386 2.492 20 0 CEADMP COCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1OC ZINC000423437582 281041764 /nfs/dbraw/zinc/04/17/64/281041764.db2.gz GIHNNZKIUVFRJZ-AGIUHOORSA-N 2 1 296.411 2.107 20 0 CEADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1(C[NH3+])CCCC1 ZINC000423770312 281088763 /nfs/dbraw/zinc/08/87/63/281088763.db2.gz ZYELAPBGBQYLCX-UHFFFAOYSA-N 2 1 295.471 2.228 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000423773540 281091654 /nfs/dbraw/zinc/09/16/54/281091654.db2.gz MWQZCAZAXWLMQZ-ZNMIVQPWSA-N 2 1 283.460 2.131 20 0 CEADMP COC(=O)CC1CC([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000424300110 281143874 /nfs/dbraw/zinc/14/38/74/281143874.db2.gz JQSRUTNKOWLBHX-FHERZECASA-N 2 1 296.455 2.286 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424379515 281154183 /nfs/dbraw/zinc/15/41/83/281154183.db2.gz VNJSDYPZUPCART-HPBDAGMYSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424379515 281154184 /nfs/dbraw/zinc/15/41/84/281154184.db2.gz VNJSDYPZUPCART-HPBDAGMYSA-N 2 1 287.451 2.366 20 0 CEADMP C[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)[N@H+]1CCCC[C@H]1C ZINC000427265735 281195551 /nfs/dbraw/zinc/19/55/51/281195551.db2.gz DXGLWULOXTUPAY-OAGGEKHMSA-N 2 1 295.471 2.145 20 0 CEADMP Cc1cccc(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)[nH+]1 ZINC000333658208 281225985 /nfs/dbraw/zinc/22/59/85/281225985.db2.gz LCPANFYAWODOHH-HOCLYGCPSA-N 2 1 275.396 2.113 20 0 CEADMP COc1ccccc1OCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429543947 281242320 /nfs/dbraw/zinc/24/23/20/281242320.db2.gz WUAQEJNDBJYBFQ-HNNXBMFYSA-N 2 1 292.423 2.490 20 0 CEADMP COc1ccccc1OCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429543947 281242322 /nfs/dbraw/zinc/24/23/22/281242322.db2.gz WUAQEJNDBJYBFQ-HNNXBMFYSA-N 2 1 292.423 2.490 20 0 CEADMP [NH3+]C[C@@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000430939376 281283799 /nfs/dbraw/zinc/28/37/99/281283799.db2.gz LBUYGFILHRPKJD-NSHDSACASA-N 2 1 288.313 2.365 20 0 CEADMP COC1(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CCCC1 ZINC000432355186 281324217 /nfs/dbraw/zinc/32/42/17/281324217.db2.gz CZIQFWGNBFORKC-HNNXBMFYSA-N 2 1 284.444 2.036 20 0 CEADMP COC1(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CCCC1 ZINC000432789269 281340754 /nfs/dbraw/zinc/34/07/54/281340754.db2.gz QSMLQSYCXKGAKT-CQSZACIVSA-N 2 1 254.418 2.362 20 0 CEADMP COC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCCO1 ZINC000433006251 281359031 /nfs/dbraw/zinc/35/90/31/281359031.db2.gz PCHGIJPSWFQRTN-LSDHHAIUSA-N 2 1 284.444 2.033 20 0 CEADMP C[NH2+]CCC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435872509 281399530 /nfs/dbraw/zinc/39/95/30/281399530.db2.gz PCJVBANBVWNCQI-HNNXBMFYSA-N 3 1 293.480 2.302 20 0 CEADMP C[NH2+]CCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435872509 281399531 /nfs/dbraw/zinc/39/95/31/281399531.db2.gz PCJVBANBVWNCQI-HNNXBMFYSA-N 3 1 293.480 2.302 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@@H]3CCNC3=O)C1)CCCC2 ZINC000330285795 282020984 /nfs/dbraw/zinc/02/09/84/282020984.db2.gz ACMKUBATBJBUOM-IUODEOHRSA-N 2 1 288.395 2.046 20 0 CEADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@@H]3CCNC3=O)C1)CCCC2 ZINC000330285795 282020986 /nfs/dbraw/zinc/02/09/86/282020986.db2.gz ACMKUBATBJBUOM-IUODEOHRSA-N 2 1 288.395 2.046 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000356802489 282023322 /nfs/dbraw/zinc/02/33/22/282023322.db2.gz IEWABKUGJOZTQW-FFHGMXDLSA-N 2 1 295.471 2.285 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCC23CCOCC3)CCOCC1 ZINC000374302299 289060040 /nfs/dbraw/zinc/06/00/40/289060040.db2.gz MSQKJLBNZFMBRT-OAHLLOKOSA-N 2 1 296.455 2.036 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC1CCOCC1 ZINC000155961372 289186293 /nfs/dbraw/zinc/18/62/93/289186293.db2.gz YGUMILWCUSOYCL-UHFFFAOYSA-N 2 1 265.401 2.330 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC1CCOCC1 ZINC000155961372 289186294 /nfs/dbraw/zinc/18/62/94/289186294.db2.gz YGUMILWCUSOYCL-UHFFFAOYSA-N 2 1 265.401 2.330 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cncc(F)c1 ZINC000158220254 289230524 /nfs/dbraw/zinc/23/05/24/289230524.db2.gz MMLRCDZPIKSLRZ-RYUDHWBXSA-N 2 1 251.349 2.213 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cncc(F)c1 ZINC000158220254 289230525 /nfs/dbraw/zinc/23/05/25/289230525.db2.gz MMLRCDZPIKSLRZ-RYUDHWBXSA-N 2 1 251.349 2.213 20 0 CEADMP C[N@H+]1CC[C@@H](CNC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000371854368 290128582 /nfs/dbraw/zinc/12/85/82/290128582.db2.gz UUYVCZDZBLRRPJ-FUHWJXTLSA-N 2 1 287.451 2.363 20 0 CEADMP COC(=O)C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCCC1 ZINC000459472126 290157973 /nfs/dbraw/zinc/15/79/73/290157973.db2.gz CPXBMFLGTYEQNN-UHFFFAOYSA-N 2 1 294.439 2.326 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000459527603 290171110 /nfs/dbraw/zinc/17/11/10/290171110.db2.gz KLVLRXKWIUCROO-AWEZNQCLSA-N 2 1 293.436 2.374 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@@H]2CCSC2)C1 ZINC000377836066 290180564 /nfs/dbraw/zinc/18/05/64/290180564.db2.gz YPEMGJSYVYBWCD-BFHYXJOUSA-N 2 1 254.443 2.156 20 0 CEADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@@H]2CCSC2)C1 ZINC000377836066 290180566 /nfs/dbraw/zinc/18/05/66/290180566.db2.gz YPEMGJSYVYBWCD-BFHYXJOUSA-N 2 1 254.443 2.156 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H]2CC(C)C)CC1 ZINC000459657663 290205973 /nfs/dbraw/zinc/20/59/73/290205973.db2.gz OFNSRMGLRHEYML-UKRRQHHQSA-N 2 1 254.418 2.121 20 0 CEADMP CO[C@H]1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C12CCC2 ZINC000459724355 290217511 /nfs/dbraw/zinc/21/75/11/290217511.db2.gz APRFFQXLOKTYLP-CABCVRRESA-N 2 1 275.396 2.195 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000459730586 290219777 /nfs/dbraw/zinc/21/97/77/290219777.db2.gz DWVYZPPXACNYPF-FPCVCCKLSA-N 2 1 278.440 2.266 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000459730589 290220092 /nfs/dbraw/zinc/22/00/92/290220092.db2.gz DWVYZPPXACNYPF-QKPAOTATSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccn(C)n1 ZINC000459745394 290225666 /nfs/dbraw/zinc/22/56/66/290225666.db2.gz INCFPLVYDJIZCI-CYBMUJFWSA-N 2 1 272.396 2.333 20 0 CEADMP C(=C/c1ccncc1)\C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000486955060 290322892 /nfs/dbraw/zinc/32/28/92/290322892.db2.gz JXFXUKOQICEOHY-OBMMGQTPSA-N 2 1 257.381 2.311 20 0 CEADMP C(=C/c1ccncc1)\C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000486955060 290322894 /nfs/dbraw/zinc/32/28/94/290322894.db2.gz JXFXUKOQICEOHY-OBMMGQTPSA-N 2 1 257.381 2.311 20 0 CEADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1CCSC1 ZINC000486966280 290324286 /nfs/dbraw/zinc/32/42/86/290324286.db2.gz FUJGSHDPNXDYFN-MCIONIFRSA-N 2 1 256.459 2.450 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C[C@@H]1CCSC1 ZINC000486966280 290324288 /nfs/dbraw/zinc/32/42/88/290324288.db2.gz FUJGSHDPNXDYFN-MCIONIFRSA-N 2 1 256.459 2.450 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]C/C=C/c2ccncc2)C1 ZINC000486970342 290325290 /nfs/dbraw/zinc/32/52/90/290325290.db2.gz RAIBGWKBANSQCM-WMHVBEDNSA-N 2 1 259.397 2.416 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000487276375 290339404 /nfs/dbraw/zinc/33/94/04/290339404.db2.gz QCVLUNOFBQFQDH-ZIAGYGMSSA-N 2 1 256.459 2.450 20 0 CEADMP COCCSCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000488435319 290398894 /nfs/dbraw/zinc/39/88/94/290398894.db2.gz VGIAQEYSRJNCCN-UONOGXRCSA-N 2 1 274.474 2.171 20 0 CEADMP COCCSCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000488435319 290398898 /nfs/dbraw/zinc/39/88/98/290398898.db2.gz VGIAQEYSRJNCCN-UONOGXRCSA-N 2 1 274.474 2.171 20 0 CEADMP COCCSCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000488435319 290398901 /nfs/dbraw/zinc/39/89/01/290398901.db2.gz VGIAQEYSRJNCCN-UONOGXRCSA-N 2 1 274.474 2.171 20 0 CEADMP COCCSCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000488435319 290398904 /nfs/dbraw/zinc/39/89/04/290398904.db2.gz VGIAQEYSRJNCCN-UONOGXRCSA-N 2 1 274.474 2.171 20 0 CEADMP C[C@@H]1C[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000335066459 297283603 /nfs/dbraw/zinc/28/36/03/297283603.db2.gz BCJOQOLRDNKYEZ-BWZWCVMUSA-N 2 1 291.483 2.212 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CC(C)(C)OC2(C)C)CCOCC1 ZINC000168340333 297468516 /nfs/dbraw/zinc/46/85/16/297468516.db2.gz JLWXSHMLNRTVDD-ZDUSSCGKSA-N 2 1 284.444 2.033 20 0 CEADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccccc2)CC1 ZINC000516626065 297598689 /nfs/dbraw/zinc/59/86/89/297598689.db2.gz VRLZPNSGQXERDW-UHFFFAOYSA-N 2 1 296.374 2.086 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528660229 297848306 /nfs/dbraw/zinc/84/83/06/297848306.db2.gz QMOYEZONJHRVSJ-MRXNPFEDSA-N 2 1 270.380 2.489 20 0 CEADMP Cc1c[nH+]cn1CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000529458837 297945867 /nfs/dbraw/zinc/94/58/67/297945867.db2.gz WJDMHOSRKCCPJT-INIZCTEOSA-N 2 1 298.390 2.379 20 0 CEADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C[C@@H]1OC ZINC000530216214 298052847 /nfs/dbraw/zinc/05/28/47/298052847.db2.gz OBAFONPPJJEYBR-MCIONIFRSA-N 2 1 266.429 2.454 20 0 CEADMP Cc1cnccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000530217619 298053012 /nfs/dbraw/zinc/05/30/12/298053012.db2.gz AEPRGSAQFSNICD-ZBFHGGJFSA-N 2 1 259.397 2.212 20 0 CEADMP Cn1cc2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])cc2n1 ZINC000530218734 298054164 /nfs/dbraw/zinc/05/41/64/298054164.db2.gz NDGHRFVUDAVDNT-LSDHHAIUSA-N 2 1 272.396 2.323 20 0 CEADMP CC(C)[C@@H]1CNCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000530229224 298057480 /nfs/dbraw/zinc/05/74/80/298057480.db2.gz NCTPTHMSFGYDTQ-KRWDZBQOSA-N 2 1 284.407 2.302 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2OC)[C@@H](C)C1 ZINC000532203714 298135434 /nfs/dbraw/zinc/13/54/34/298135434.db2.gz ATOLKFTXKJIRDW-LSDHHAIUSA-N 2 1 292.423 2.394 20 0 CEADMP CC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000532225862 298136637 /nfs/dbraw/zinc/13/66/37/298136637.db2.gz IHHCPOJUDCBXMS-BZUAXINKSA-N 2 1 268.445 2.392 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCOCC1 ZINC000532446157 298144303 /nfs/dbraw/zinc/14/43/03/298144303.db2.gz ZIPWTPYJADFTEW-XHSDSOJGSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCOCC1 ZINC000532446157 298144304 /nfs/dbraw/zinc/14/43/04/298144304.db2.gz ZIPWTPYJADFTEW-XHSDSOJGSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@@H]1C[C@H](C)[NH+](CC2(C[N@H+]3C[C@@H](C)C[C@H]3C)COC2)C1 ZINC000543860178 298312388 /nfs/dbraw/zinc/31/23/88/298312388.db2.gz RVPONRJOZQZGHG-SYMSYNOKSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](CC2(C[NH+]3C[C@@H](C)C[C@H]3C)COC2)C1 ZINC000543860178 298312392 /nfs/dbraw/zinc/31/23/92/298312392.db2.gz RVPONRJOZQZGHG-SYMSYNOKSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CC2(C[NH+]3C[C@@H](C)C[C@H]3C)COC2)C1 ZINC000543860178 298312393 /nfs/dbraw/zinc/31/23/93/298312393.db2.gz RVPONRJOZQZGHG-SYMSYNOKSA-N 2 1 280.456 2.464 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000229638396 298893368 /nfs/dbraw/zinc/89/33/68/298893368.db2.gz FUUQVGKRHVOUDE-MBNYWOFBSA-N 2 1 250.390 2.371 20 0 CEADMP COc1cccc(C[N@H+](C)CCC[NH3+])c1OC(F)F ZINC000567110466 299038655 /nfs/dbraw/zinc/03/86/55/299038655.db2.gz GAXHFPWUELNZCL-UHFFFAOYSA-N 2 1 274.311 2.077 20 0 CEADMP COc1cccc(C[N@@H+](C)CCC[NH3+])c1OC(F)F ZINC000567110466 299038657 /nfs/dbraw/zinc/03/86/57/299038657.db2.gz GAXHFPWUELNZCL-UHFFFAOYSA-N 2 1 274.311 2.077 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000514870442 313060476 /nfs/dbraw/zinc/06/04/76/313060476.db2.gz KLPIPFQWUGEVBO-SZMVWBNQSA-N 2 1 290.451 2.425 20 0 CEADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000517221365 313106987 /nfs/dbraw/zinc/10/69/87/313106987.db2.gz ZNIMXQZGBBAMCX-AWEZNQCLSA-N 2 1 273.424 2.392 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000517221365 313106989 /nfs/dbraw/zinc/10/69/89/313106989.db2.gz ZNIMXQZGBBAMCX-AWEZNQCLSA-N 2 1 273.424 2.392 20 0 CEADMP Cn1cc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2n1 ZINC000527765477 313200302 /nfs/dbraw/zinc/20/03/02/313200302.db2.gz XCAQKGUCXPGFOG-CVEARBPZSA-N 2 1 284.407 2.290 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+]2C2CCCCC2)CC[N@H+]1C ZINC000527949853 313219227 /nfs/dbraw/zinc/21/92/27/313219227.db2.gz OGIJUKDXSLUUSF-INMHGKMJSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC[NH+]1C ZINC000527949853 313219230 /nfs/dbraw/zinc/21/92/30/313219230.db2.gz OGIJUKDXSLUUSF-INMHGKMJSA-N 2 1 279.472 2.466 20 0 CEADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+]2C2CCCCC2)CC[NH+]1C ZINC000527949853 313219231 /nfs/dbraw/zinc/21/92/31/313219231.db2.gz OGIJUKDXSLUUSF-INMHGKMJSA-N 2 1 279.472 2.466 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H]2CC[NH+]2C2CCCC2)[C@H](C)C1 ZINC000528012116 313225816 /nfs/dbraw/zinc/22/58/16/313225816.db2.gz OCBUJVDLMFUMNZ-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC000528012116 313225819 /nfs/dbraw/zinc/22/58/19/313225819.db2.gz OCBUJVDLMFUMNZ-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP CC[NH+]1CC[C@H](NC[C@H]2CC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC000528012116 313225822 /nfs/dbraw/zinc/22/58/22/313225822.db2.gz OCBUJVDLMFUMNZ-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN2C2CCCC2)[C@H](C)C1 ZINC000528012116 313225828 /nfs/dbraw/zinc/22/58/28/313225828.db2.gz OCBUJVDLMFUMNZ-OIISXLGYSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1COC1 ZINC000528025880 313227843 /nfs/dbraw/zinc/22/78/43/313227843.db2.gz PDJGHDBNEOEAII-WMLDXEAASA-N 2 1 274.408 2.133 20 0 CEADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC3CC(C)(C)C3)CC2)C1 ZINC000528417189 313252088 /nfs/dbraw/zinc/25/20/88/313252088.db2.gz POQHEXMCVIAHAV-MRXNPFEDSA-N 2 1 279.472 2.134 20 0 CEADMP Cc1cnccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000530225638 313285063 /nfs/dbraw/zinc/28/50/63/313285063.db2.gz UYAGEWKANWEEBC-ZBFHGGJFSA-N 2 1 259.397 2.354 20 0 CEADMP C([NH2+]C(C1CC1)C1CC1)C1([NH+]2CCCC2)CCOCC1 ZINC000531959575 313334943 /nfs/dbraw/zinc/33/49/43/313334943.db2.gz JVKBAYOTJGDVRN-UHFFFAOYSA-N 2 1 278.440 2.410 20 0 CEADMP CN(C)c1cc(NC(=O)CCN(C)c2cc[nH+]cc2)cc[nH+]1 ZINC000543712826 313461303 /nfs/dbraw/zinc/46/13/03/313461303.db2.gz LPGJUKVRMCRACH-UHFFFAOYSA-N 2 1 299.378 2.008 20 0 CEADMP C[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[NH+]1CC(C)C1 ZINC000565181019 313803781 /nfs/dbraw/zinc/80/37/81/313803781.db2.gz LIPKGRDSZIBSSV-ZDUSSCGKSA-N 2 1 275.396 2.027 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000569475625 313997465 /nfs/dbraw/zinc/99/74/65/313997465.db2.gz KMGZASHBMYRTOS-KRWDZBQOSA-N 2 1 287.407 2.165 20 0 CEADMP COCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569722705 314014103 /nfs/dbraw/zinc/01/41/03/314014103.db2.gz CGSZPLNCTVZNFX-INIZCTEOSA-N 2 1 274.408 2.420 20 0 CEADMP COCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569722705 314014107 /nfs/dbraw/zinc/01/41/07/314014107.db2.gz CGSZPLNCTVZNFX-INIZCTEOSA-N 2 1 274.408 2.420 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC12CCOCC2 ZINC000570733866 314055294 /nfs/dbraw/zinc/05/52/94/314055294.db2.gz WOUOZUMLEWKHQA-ZIAGYGMSSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC12CCOCC2 ZINC000570733866 314055296 /nfs/dbraw/zinc/05/52/96/314055296.db2.gz WOUOZUMLEWKHQA-ZIAGYGMSSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+](Cc1cnc(C2CC2)s1)CC(C)(C)C[NH3+] ZINC000570801740 314059456 /nfs/dbraw/zinc/05/94/56/314059456.db2.gz ZKWYGFLJOAFKAW-UHFFFAOYSA-N 2 1 253.415 2.437 20 0 CEADMP C[N@@H+](Cc1cnc(C2CC2)s1)CC(C)(C)C[NH3+] ZINC000570801740 314059461 /nfs/dbraw/zinc/05/94/61/314059461.db2.gz ZKWYGFLJOAFKAW-UHFFFAOYSA-N 2 1 253.415 2.437 20 0 CEADMP COc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1)O[C@@H](C)C2 ZINC000571981503 314114620 /nfs/dbraw/zinc/11/46/20/314114620.db2.gz NXXCIZOULPBAPE-SLEUVZQESA-N 2 1 290.407 2.249 20 0 CEADMP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1C ZINC000572140510 314121561 /nfs/dbraw/zinc/12/15/61/314121561.db2.gz MXDPYQMNOQKHIB-UAGQMJEPSA-N 2 1 290.455 2.482 20 0 CEADMP C[NH+]1CCN([C@H](C[NH2+]CC2(C)CC2)c2cccs2)CC1 ZINC000573896908 314179493 /nfs/dbraw/zinc/17/94/93/314179493.db2.gz ZKWWINLMMIWPOM-CQSZACIVSA-N 2 1 293.480 2.426 20 0 CEADMP C[N@@H+](CCC[NH3+])Cc1ccc(Oc2cnccn2)cc1 ZINC000573920136 314182626 /nfs/dbraw/zinc/18/26/26/314182626.db2.gz HGPILAHHNMDSIE-UHFFFAOYSA-N 2 1 272.352 2.050 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000574151972 314191123 /nfs/dbraw/zinc/19/11/23/314191123.db2.gz YWKGWSYQFWKPAB-CHWSQXEVSA-N 2 1 296.377 2.401 20 0 CEADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000574258873 314202331 /nfs/dbraw/zinc/20/23/31/314202331.db2.gz FFBMSSSPYUQISM-UHFFFAOYSA-N 2 1 299.422 2.055 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000574269021 314202628 /nfs/dbraw/zinc/20/26/28/314202628.db2.gz XHSJYDKMPWQSSC-ROUUACIJSA-N 3 1 287.451 2.411 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000574269021 314202631 /nfs/dbraw/zinc/20/26/31/314202631.db2.gz XHSJYDKMPWQSSC-ROUUACIJSA-N 3 1 287.451 2.411 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC12CCCCC2 ZINC000576289012 314260789 /nfs/dbraw/zinc/26/07/89/314260789.db2.gz PDXMOGPFLLVQPV-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC12CCCCC2 ZINC000576289012 314260791 /nfs/dbraw/zinc/26/07/91/314260791.db2.gz PDXMOGPFLLVQPV-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC12CCCCC2 ZINC000576289012 314260792 /nfs/dbraw/zinc/26/07/92/314260792.db2.gz PDXMOGPFLLVQPV-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC12CCCCC2 ZINC000576289012 314260794 /nfs/dbraw/zinc/26/07/94/314260794.db2.gz PDXMOGPFLLVQPV-AWEZNQCLSA-N 2 1 254.418 2.098 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+](CCOC)[C@H](C)c1ccccc1 ZINC000576715155 314304686 /nfs/dbraw/zinc/30/46/86/314304686.db2.gz IXEHUUXOIGNHNW-NVXWUHKLSA-N 2 1 294.439 2.009 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+](CCOC)[C@H](C)c1ccccc1 ZINC000576715155 314304687 /nfs/dbraw/zinc/30/46/87/314304687.db2.gz IXEHUUXOIGNHNW-NVXWUHKLSA-N 2 1 294.439 2.009 20 0 CEADMP CC1(C)CCC[C@H](C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000580773913 322343090 /nfs/dbraw/zinc/34/30/90/322343090.db2.gz JAAHXUMYMMTJOG-JKSUJKDBSA-N 2 1 279.472 2.182 20 0 CEADMP [NH3+]Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000580952490 322357080 /nfs/dbraw/zinc/35/70/80/322357080.db2.gz HECHQZTYROUYIB-IXDOHACOSA-N 2 1 273.424 2.156 20 0 CEADMP CC[NH2+]CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000581363993 322390367 /nfs/dbraw/zinc/39/03/67/322390367.db2.gz DYAVSMDIONESFZ-WMZOPIPTSA-N 2 1 289.467 2.486 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000581363993 322390372 /nfs/dbraw/zinc/39/03/72/322390372.db2.gz DYAVSMDIONESFZ-WMZOPIPTSA-N 3 1 289.467 2.486 20 0 CEADMP CC[NH2+]CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000581363993 322390374 /nfs/dbraw/zinc/39/03/74/322390374.db2.gz DYAVSMDIONESFZ-WMZOPIPTSA-N 3 1 289.467 2.486 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2(COC)CC2)[C@@H](C)C1 ZINC000584231716 327070976 /nfs/dbraw/zinc/07/09/76/327070976.db2.gz MYDFTOJPFLVFAF-UONOGXRCSA-N 2 1 254.418 2.123 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2O)C[C@H]1c1ccccc1 ZINC000392845706 329040580 /nfs/dbraw/zinc/04/05/80/329040580.db2.gz XHZSOHNERXXWEU-MHORFTMASA-N 2 1 288.435 2.212 20 0 CEADMP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000366347120 519370060 /nfs/dbraw/zinc/37/00/60/519370060.db2.gz NECMBGFDJMVDNQ-HOCLYGCPSA-N 2 1 295.471 2.273 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCn2cccn2)C1 ZINC000157741015 519676542 /nfs/dbraw/zinc/67/65/42/519676542.db2.gz QWJKOHYVCCSHDG-HOTGVXAUSA-N 2 1 278.444 2.372 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000151140745 519864120 /nfs/dbraw/zinc/86/41/20/519864120.db2.gz KREYNUWQVNAQTB-UKRRQHHQSA-N 2 1 276.428 2.119 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000151140745 519864121 /nfs/dbraw/zinc/86/41/21/519864121.db2.gz KREYNUWQVNAQTB-UKRRQHHQSA-N 2 1 276.428 2.119 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000148272350 521114326 /nfs/dbraw/zinc/11/43/26/521114326.db2.gz LPCCWTZNRMIIFN-OAHLLOKOSA-N 2 1 282.428 2.138 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000148272350 521114333 /nfs/dbraw/zinc/11/43/33/521114333.db2.gz LPCCWTZNRMIIFN-OAHLLOKOSA-N 2 1 282.428 2.138 20 0 CEADMP CCC[N@@H+](CC)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000274672354 521605533 /nfs/dbraw/zinc/60/55/33/521605533.db2.gz SWDZUKKQWXVDBU-INIZCTEOSA-N 2 1 291.439 2.137 20 0 CEADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1nccn1C ZINC000182826055 522606298 /nfs/dbraw/zinc/60/62/98/522606298.db2.gz WQWSMMSUFSRUEW-OCCSQVGLSA-N 2 1 275.400 2.302 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366536021 522652138 /nfs/dbraw/zinc/65/21/38/522652138.db2.gz QBIUSNVMTCTBCD-KRWDZBQOSA-N 2 1 290.455 2.073 20 0 CEADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366536021 522652144 /nfs/dbraw/zinc/65/21/44/522652144.db2.gz QBIUSNVMTCTBCD-KRWDZBQOSA-N 2 1 290.455 2.073 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366536021 522652157 /nfs/dbraw/zinc/65/21/57/522652157.db2.gz QBIUSNVMTCTBCD-KRWDZBQOSA-N 2 1 290.455 2.073 20 0 CEADMP CCc1nn(C)c(CC)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366536021 522652166 /nfs/dbraw/zinc/65/21/66/522652166.db2.gz QBIUSNVMTCTBCD-KRWDZBQOSA-N 2 1 290.455 2.073 20 0 CEADMP C[C@H](CNc1cc[nH+]c(N(C)C)n1)C[NH+]1CCCCC1 ZINC000068690091 524512873 /nfs/dbraw/zinc/51/28/73/524512873.db2.gz WUNJDGSRDYIUSY-CYBMUJFWSA-N 2 1 277.416 2.077 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000157588220 524550778 /nfs/dbraw/zinc/55/07/78/524550778.db2.gz KROXBVBANQYTTP-JYJNAYRXSA-N 2 1 278.444 2.372 20 0 CEADMP C[C@@H](CCn1cccn1)[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000157588220 524550787 /nfs/dbraw/zinc/55/07/87/524550787.db2.gz KROXBVBANQYTTP-JYJNAYRXSA-N 2 1 278.444 2.372 20 0 CEADMP C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCOCC[NH3+])C1 ZINC000357071041 524831942 /nfs/dbraw/zinc/83/19/42/524831942.db2.gz BJVHPPQFKXTIGA-WFASDCNBSA-N 2 1 266.360 2.184 20 0 CEADMP C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCOCC[NH3+])C1 ZINC000357070998 524944533 /nfs/dbraw/zinc/94/45/33/524944533.db2.gz BJVHPPQFKXTIGA-SWLSCSKDSA-N 2 1 266.360 2.184 20 0 CEADMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)[C@@H]1CCOC1 ZINC000157414292 525446293 /nfs/dbraw/zinc/44/62/93/525446293.db2.gz INTGIPQJOCAIAS-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)[C@@H]1CCOC1 ZINC000157414292 525446302 /nfs/dbraw/zinc/44/63/02/525446302.db2.gz INTGIPQJOCAIAS-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1ccncc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000374397632 525743663 /nfs/dbraw/zinc/74/36/63/525743663.db2.gz DQSWTMBNYFMQRW-IKGGRYGDSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ccncc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000374397632 525743670 /nfs/dbraw/zinc/74/36/70/525743670.db2.gz DQSWTMBNYFMQRW-IKGGRYGDSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ccncc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000374397632 525743679 /nfs/dbraw/zinc/74/36/79/525743679.db2.gz DQSWTMBNYFMQRW-IKGGRYGDSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1ccncc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000374397632 525743687 /nfs/dbraw/zinc/74/36/87/525743687.db2.gz DQSWTMBNYFMQRW-IKGGRYGDSA-N 2 1 271.408 2.306 20 0 CEADMP Cc1[nH+]ccn1-c1cccc(N2CC[NH+](CC(C)C)CC2)n1 ZINC000363724760 527383705 /nfs/dbraw/zinc/38/37/05/527383705.db2.gz QEHMPHHZTSVWJA-UHFFFAOYSA-N 2 1 299.422 2.354 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCN(C)c2ccccc2)[C@H](C)C1 ZINC000125873457 527799302 /nfs/dbraw/zinc/79/93/02/527799302.db2.gz AQTPVVUUHIWRBR-NVXWUHKLSA-N 2 1 275.440 2.443 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC(C)(C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000357856770 527799357 /nfs/dbraw/zinc/79/93/57/527799357.db2.gz UKYQLBYDBFAULS-JKSUJKDBSA-N 2 1 281.488 2.428 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000357856770 527799360 /nfs/dbraw/zinc/79/93/60/527799360.db2.gz UKYQLBYDBFAULS-JKSUJKDBSA-N 3 1 281.488 2.428 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000357856770 527799364 /nfs/dbraw/zinc/79/93/64/527799364.db2.gz UKYQLBYDBFAULS-JKSUJKDBSA-N 3 1 281.488 2.428 20 0 CEADMP CCCN(CC[NH+](C)C)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000355018281 528072468 /nfs/dbraw/zinc/07/24/68/528072468.db2.gz OWVMGZDRKBXVLQ-OAHLLOKOSA-N 2 1 283.460 2.051 20 0 CEADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000356096101 529002569 /nfs/dbraw/zinc/00/25/69/529002569.db2.gz RNENGUGLEPJODF-ZIAGYGMSSA-N 2 1 283.460 2.144 20 0 CEADMP C[N@@H+](CCC1CCCCC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000726071354 574423668 /nfs/dbraw/zinc/42/36/68/574423668.db2.gz FEJMEKMGCIGNEM-MRXNPFEDSA-N 2 1 268.445 2.345 20 0 CEADMP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000305461377 574431595 /nfs/dbraw/zinc/43/15/95/574431595.db2.gz VQWAVPHAYXZGJF-ARFHVFGLSA-N 2 1 266.429 2.098 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000729347218 574485622 /nfs/dbraw/zinc/48/56/22/574485622.db2.gz KSNYPEUQFKJHTL-INIZCTEOSA-N 2 1 295.471 2.099 20 0 CEADMP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000734058684 574699370 /nfs/dbraw/zinc/69/93/70/574699370.db2.gz XKSMGVIAAICHBS-SJLPKXTDSA-N 2 1 288.435 2.453 20 0 CEADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000734058684 574699372 /nfs/dbraw/zinc/69/93/72/574699372.db2.gz XKSMGVIAAICHBS-SJLPKXTDSA-N 2 1 288.435 2.453 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccccc2C)C1 ZINC000744424390 575120877 /nfs/dbraw/zinc/12/08/77/575120877.db2.gz VYENRYYWMOPMKR-WBVHZDCISA-N 2 1 276.424 2.302 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccccc2C)C1 ZINC000744424390 575120878 /nfs/dbraw/zinc/12/08/78/575120878.db2.gz VYENRYYWMOPMKR-WBVHZDCISA-N 2 1 276.424 2.302 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2C)C1 ZINC000744424390 575120879 /nfs/dbraw/zinc/12/08/79/575120879.db2.gz VYENRYYWMOPMKR-WBVHZDCISA-N 2 1 276.424 2.302 20 0 CEADMP COC(=O)/C(C)=C\C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000748812091 575197136 /nfs/dbraw/zinc/19/71/36/575197136.db2.gz DVDRRJXMFKZOLE-NSIKDUERSA-N 2 1 282.428 2.158 20 0 CEADMP O[C@@H](C[NH2+]C1(c2ccc(F)cc2)CCC1)C[NH+]1CCCC1 ZINC000749124293 575206320 /nfs/dbraw/zinc/20/63/20/575206320.db2.gz VIRGWMUOPCZQAB-INIZCTEOSA-N 2 1 292.398 2.251 20 0 CEADMP CC(C)[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981338321 613979602 /nfs/dbraw/zinc/97/96/02/613979602.db2.gz VWAFUJKWQQLYBN-LSDHHAIUSA-N 2 1 295.471 2.144 20 0 CEADMP CC(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000971526548 614074562 /nfs/dbraw/zinc/07/45/62/614074562.db2.gz YCKSASTWBUFHIL-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971526548 614074563 /nfs/dbraw/zinc/07/45/63/614074563.db2.gz YCKSASTWBUFHIL-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971526548 614074565 /nfs/dbraw/zinc/07/45/65/614074565.db2.gz YCKSASTWBUFHIL-HOTGVXAUSA-N 2 1 295.471 2.048 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033807 614374068 /nfs/dbraw/zinc/37/40/68/614374068.db2.gz VPTZEKALRREFAG-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033807 614374070 /nfs/dbraw/zinc/37/40/70/614374070.db2.gz VPTZEKALRREFAG-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033807 614374072 /nfs/dbraw/zinc/37/40/72/614374072.db2.gz VPTZEKALRREFAG-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980491472 614531106 /nfs/dbraw/zinc/53/11/06/614531106.db2.gz VNABBMISCJAREO-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919668 614632416 /nfs/dbraw/zinc/63/24/16/614632416.db2.gz HYAQRNKOHBOLSK-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919668 614632418 /nfs/dbraw/zinc/63/24/18/614632418.db2.gz HYAQRNKOHBOLSK-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000968919668 614632420 /nfs/dbraw/zinc/63/24/20/614632420.db2.gz HYAQRNKOHBOLSK-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000968919668 614632423 /nfs/dbraw/zinc/63/24/23/614632423.db2.gz HYAQRNKOHBOLSK-JKSUJKDBSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC(C)C)C1 ZINC000971643223 614677611 /nfs/dbraw/zinc/67/76/11/614677611.db2.gz XKLUPNLQQPYONP-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC(C)C)C1 ZINC000971643223 614677613 /nfs/dbraw/zinc/67/76/13/614677613.db2.gz XKLUPNLQQPYONP-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(C)C)C1 ZINC000971643223 614677616 /nfs/dbraw/zinc/67/76/16/614677616.db2.gz XKLUPNLQQPYONP-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C(C)C)CC1(C)C ZINC000974653153 614680507 /nfs/dbraw/zinc/68/05/07/614680507.db2.gz GKWKRTDXMWYJOF-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)CC1(C)C ZINC000974653153 614680509 /nfs/dbraw/zinc/68/05/09/614680509.db2.gz GKWKRTDXMWYJOF-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)CC1(C)C ZINC000974653153 614680513 /nfs/dbraw/zinc/68/05/13/614680513.db2.gz GKWKRTDXMWYJOF-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947774560 614748393 /nfs/dbraw/zinc/74/83/93/614748393.db2.gz BKXGCSONKZOZPU-HOCLYGCPSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947774561 614748675 /nfs/dbraw/zinc/74/86/75/614748675.db2.gz BKXGCSONKZOZPU-ZBFHGGJFSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933083387 623482908 /nfs/dbraw/zinc/48/29/08/623482908.db2.gz GNECYHKWBIKXIG-MRXNPFEDSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933083387 623482912 /nfs/dbraw/zinc/48/29/12/623482912.db2.gz GNECYHKWBIKXIG-MRXNPFEDSA-N 2 1 277.412 2.330 20 0 CEADMP C[C@]1(Br)C[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000892492680 625659797 /nfs/dbraw/zinc/65/97/97/625659797.db2.gz SKJFXBLFNNEVOE-MFKMUULPSA-N 2 1 287.245 2.376 20 0 CEADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308379329 623676118 /nfs/dbraw/zinc/67/61/18/623676118.db2.gz VIADLRKMJPOWOE-BFHYXJOUSA-N 2 1 254.418 2.264 20 0 CEADMP Clc1ccc(CC[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000308462427 623711537 /nfs/dbraw/zinc/71/15/37/623711537.db2.gz SIEIGNRWBFFNNG-HOTGVXAUSA-N 2 1 294.826 2.335 20 0 CEADMP Clc1ccc(CC[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000308462427 623711540 /nfs/dbraw/zinc/71/15/40/623711540.db2.gz SIEIGNRWBFFNNG-HOTGVXAUSA-N 2 1 294.826 2.335 20 0 CEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000891495168 623744998 /nfs/dbraw/zinc/74/49/98/623744998.db2.gz WSJAUQLCMQWQRR-AWEZNQCLSA-N 2 1 298.475 2.020 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000926671867 625677335 /nfs/dbraw/zinc/67/73/35/625677335.db2.gz FKRCEEXHZQWPKR-IUOOZAAYSA-N 2 1 278.440 2.408 20 0 CEADMP COC1CCC(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000891671549 623883681 /nfs/dbraw/zinc/88/36/81/623883681.db2.gz PPYYGOJWPLBOSD-HWOWSKLDSA-N 2 1 268.445 2.465 20 0 CEADMP Cc1cc(N)nc(NC[C@@H](c2ccsc2)[NH+](C)C)[nH+]1 ZINC000891729930 623931686 /nfs/dbraw/zinc/93/16/86/623931686.db2.gz ZQTJOLWOMDOACF-NSHDSACASA-N 2 1 277.397 2.144 20 0 CEADMP Nc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c[nH+]1 ZINC000891782537 623965846 /nfs/dbraw/zinc/96/58/46/623965846.db2.gz TYWRVNYDZWTLNS-VIFPVBQESA-N 2 1 266.776 2.213 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@]2(C)Br)C1 ZINC000892032940 624263244 /nfs/dbraw/zinc/26/32/44/624263244.db2.gz AKHDNZRTIQLYBQ-TUAOUCFPSA-N 2 1 275.234 2.043 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(C)C)C2)C1 ZINC001022584595 624276055 /nfs/dbraw/zinc/27/60/55/624276055.db2.gz DBTJNLLCFCTDNN-OAGGEKHMSA-N 2 1 295.471 2.001 20 0 CEADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892223403 624435224 /nfs/dbraw/zinc/43/52/24/624435224.db2.gz IEVWHHHHHZMFRB-MRXNPFEDSA-N 2 1 276.428 2.207 20 0 CEADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccnn1C1CCC1 ZINC000926468296 624831448 /nfs/dbraw/zinc/83/14/48/624831448.db2.gz AXAYJSMVUOUHEV-QWHCGFSZSA-N 2 1 264.417 2.456 20 0 CEADMP CCNC(NCCCC[N@H+]1CCCC[C@H]1C)=[NH+]CC ZINC000066243336 625816291 /nfs/dbraw/zinc/81/62/91/625816291.db2.gz LESAXEWFOJIAOT-CQSZACIVSA-N 2 1 268.449 2.216 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000892517604 625876709 /nfs/dbraw/zinc/87/67/09/625876709.db2.gz PXLMHMNNPYRMGB-NWDGAFQWSA-N 2 1 277.250 2.480 20 0 CEADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000892517606 625878487 /nfs/dbraw/zinc/87/84/87/625878487.db2.gz PXLMHMNNPYRMGB-VXGBXAGGSA-N 2 1 277.250 2.480 20 0 CEADMP c1cnn(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000820806245 634532696 /nfs/dbraw/zinc/53/26/96/634532696.db2.gz DAJDPLMYXYXGBD-VHRNVKJDSA-N 2 1 274.412 2.021 20 0 CEADMP CCn1cnc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000902279044 634551822 /nfs/dbraw/zinc/55/18/22/634551822.db2.gz IWOHSOZMCDLTRQ-LQDVMPOASA-N 2 1 262.401 2.008 20 0 CEADMP CCn1cnc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000902279044 634551828 /nfs/dbraw/zinc/55/18/28/634551828.db2.gz IWOHSOZMCDLTRQ-LQDVMPOASA-N 2 1 262.401 2.008 20 0 CEADMP COCC[N@H+](C)CCC[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000892560783 627272044 /nfs/dbraw/zinc/27/20/44/627272044.db2.gz ZJPYWXGXUWMLLJ-UHFFFAOYSA-N 2 1 286.803 2.104 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000892560783 627272052 /nfs/dbraw/zinc/27/20/52/627272052.db2.gz ZJPYWXGXUWMLLJ-UHFFFAOYSA-N 2 1 286.803 2.104 20 0 CEADMP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000926755023 627285721 /nfs/dbraw/zinc/28/57/21/627285721.db2.gz WLNYVVCCEDKVKI-LSDHHAIUSA-N 2 1 261.413 2.334 20 0 CEADMP C[NH+](C)Cc1cnc(CNc2[nH+]ccn2C2CC2)s1 ZINC000840887287 627390411 /nfs/dbraw/zinc/39/04/11/627390411.db2.gz VQQBQLLVEWZAGO-UHFFFAOYSA-N 2 1 277.397 2.348 20 0 CEADMP Cc1ccc(OCCC[N@@H+](C)C[C@@H](C)[NH3+])cc1C ZINC000311209977 627390967 /nfs/dbraw/zinc/39/09/67/627390967.db2.gz OPFJMZMLUIVTOI-CQSZACIVSA-N 2 1 250.386 2.351 20 0 CEADMP Cc1ccc(OCCC[N@H+](C)C[C@@H](C)[NH3+])cc1C ZINC000311209977 627390975 /nfs/dbraw/zinc/39/09/75/627390975.db2.gz OPFJMZMLUIVTOI-CQSZACIVSA-N 2 1 250.386 2.351 20 0 CEADMP CC1CCN(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902340260 634581610 /nfs/dbraw/zinc/58/16/10/634581610.db2.gz UZDUYPJERVQLFL-OAHLLOKOSA-N 2 1 267.461 2.086 20 0 CEADMP CC[N@@H+](CCN[C@H]1CC[NH2+]CC(C)(C)C1)C(C)C ZINC000902346793 634585998 /nfs/dbraw/zinc/58/59/98/634585998.db2.gz QSFNRWLBQGZAJN-AWEZNQCLSA-N 2 1 255.450 2.085 20 0 CEADMP C[C@H](CN1CCCCC1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902336463 634597369 /nfs/dbraw/zinc/59/73/69/634597369.db2.gz LRFCLXPHBAJPFV-HUUCEWRRSA-N 2 1 267.461 2.229 20 0 CEADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)c(C)n1 ZINC000892746240 627745885 /nfs/dbraw/zinc/74/58/85/627745885.db2.gz VWJJFERABMJPCO-CQSZACIVSA-N 2 1 264.417 2.033 20 0 CEADMP CCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)c(C)n1 ZINC000892746240 627745888 /nfs/dbraw/zinc/74/58/88/627745888.db2.gz VWJJFERABMJPCO-CQSZACIVSA-N 2 1 264.417 2.033 20 0 CEADMP COCCCC1(C[NH2+]CCn2cc[nH+]c2C)CCC1 ZINC000892759053 627755033 /nfs/dbraw/zinc/75/50/33/627755033.db2.gz RJUPJXGBHHUOAA-UHFFFAOYSA-N 2 1 265.401 2.378 20 0 CEADMP COCCC[NH+]1CCC([NH2+]Cc2cnc(F)c(C)c2)CC1 ZINC000892801638 627783951 /nfs/dbraw/zinc/78/39/51/627783951.db2.gz PLOLGEARAQALKH-UHFFFAOYSA-N 2 1 295.402 2.120 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@@H](Nc2nccn3c[nH+]cc23)C1 ZINC000892821015 627790442 /nfs/dbraw/zinc/79/04/42/627790442.db2.gz AKUSKFKVDFZDCQ-NEPJUHHUSA-N 2 1 259.357 2.014 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902364601 634619817 /nfs/dbraw/zinc/61/98/17/634619817.db2.gz TVWMDIRYCGQOSD-GJZGRUSLSA-N 3 1 267.461 2.086 20 0 CEADMP CCC[N@@H+]1CC[C@@H](CN[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902364601 634619818 /nfs/dbraw/zinc/61/98/18/634619818.db2.gz TVWMDIRYCGQOSD-GJZGRUSLSA-N 2 1 267.461 2.086 20 0 CEADMP CCC[N@H+]1CC[C@@H](CN[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902364601 634619822 /nfs/dbraw/zinc/61/98/22/634619822.db2.gz TVWMDIRYCGQOSD-GJZGRUSLSA-N 2 1 267.461 2.086 20 0 CEADMP CN(CCC[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925502444 627991665 /nfs/dbraw/zinc/99/16/65/627991665.db2.gz FEMRUMYDSKGUOA-INIZCTEOSA-N 2 1 273.424 2.387 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])NC1CCCCCC1 ZINC000092277360 628095162 /nfs/dbraw/zinc/09/51/62/628095162.db2.gz ICSKNGYLBXNDFC-AWEZNQCLSA-N 2 1 280.460 2.488 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902386057 634629369 /nfs/dbraw/zinc/62/93/69/634629369.db2.gz BBXZRUAAPANDGJ-GJZGRUSLSA-N 2 1 269.477 2.475 20 0 CEADMP CCC[N@@H+](CC)CCN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925530225 628129565 /nfs/dbraw/zinc/12/95/65/628129565.db2.gz PSMMBAUUBCNLTC-GOEBONIOSA-N 2 1 263.429 2.396 20 0 CEADMP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925535603 628143732 /nfs/dbraw/zinc/14/37/32/628143732.db2.gz HQVBTNIKXUVPSS-QGZVFWFLSA-N 2 1 296.418 2.289 20 0 CEADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925542782 628174942 /nfs/dbraw/zinc/17/49/42/628174942.db2.gz OXXHEQCQSVFLHU-WBVHZDCISA-N 3 1 281.488 2.475 20 0 CEADMP CC1CCN(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925547317 628187331 /nfs/dbraw/zinc/18/73/31/628187331.db2.gz NJEWKOUBYVGPJC-ROUUACIJSA-N 2 1 293.499 2.476 20 0 CEADMP C[C@@H](CN1CCC(C)CC1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902400324 634636976 /nfs/dbraw/zinc/63/69/76/634636976.db2.gz QBNKAHHVPCQLOP-HOTGVXAUSA-N 2 1 281.488 2.475 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902391901 634631684 /nfs/dbraw/zinc/63/16/84/634631684.db2.gz IRVMCNHWDFSDJI-UONOGXRCSA-N 2 1 267.461 2.227 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCc1cccc(F)c1F ZINC000925599023 628278174 /nfs/dbraw/zinc/27/81/74/628278174.db2.gz WCSLSIXZLWBRGJ-GXFFZTMASA-N 2 1 254.324 2.237 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]C[C@@H]2C[C@]2(C)Br)CC1 ZINC000893305306 628282505 /nfs/dbraw/zinc/28/25/05/628282505.db2.gz UKRLUMQKLFGHPM-RYUDHWBXSA-N 2 1 273.218 2.011 20 0 CEADMP C[C@H]([NH3+])[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccccc1 ZINC000925616617 628303173 /nfs/dbraw/zinc/30/31/73/628303173.db2.gz SJYJKWOKYHVPDU-DARAHFNDSA-N 2 1 262.397 2.216 20 0 CEADMP CSc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)ccn1 ZINC000925617507 628305626 /nfs/dbraw/zinc/30/56/26/628305626.db2.gz WJGXCCUBGCYFHF-VXGBXAGGSA-N 2 1 263.410 2.163 20 0 CEADMP CC(C)CCCC[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000893320800 628313246 /nfs/dbraw/zinc/31/32/46/628313246.db2.gz RNIQFWLNJQSPFX-UHFFFAOYSA-N 2 1 269.477 2.430 20 0 CEADMP C[C@H]([NH3+])[C@@H](NCC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC000925621611 628313535 /nfs/dbraw/zinc/31/35/35/628313535.db2.gz FQZHIPFBBNVMED-IJEWVQPXSA-N 2 1 261.413 2.149 20 0 CEADMP C[C@H]([NH3+])[C@H](NCC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC000925621616 628313662 /nfs/dbraw/zinc/31/36/62/628313662.db2.gz FQZHIPFBBNVMED-YCPHGPKFSA-N 2 1 261.413 2.149 20 0 CEADMP C[C@H]([NH3+])[C@@H]([NH2+]CCCC(C)(C)CO)c1ccccc1 ZINC000925624111 628317319 /nfs/dbraw/zinc/31/73/19/628317319.db2.gz VGHPGVSFVRFZBT-DZGCQCFKSA-N 2 1 264.413 2.463 20 0 CEADMP COc1ccc(OC)c(CCC[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000925629028 628324293 /nfs/dbraw/zinc/32/42/93/628324293.db2.gz JWRASUVNQRZLSX-XJKSGUPXSA-N 2 1 292.423 2.367 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)C2 ZINC000902443187 634660664 /nfs/dbraw/zinc/66/06/64/634660664.db2.gz KOWUZZATRCTNKX-XJKSGUPXSA-N 2 1 274.408 2.140 20 0 CEADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(-n2cnnc2)c1 ZINC000925704910 628549065 /nfs/dbraw/zinc/54/90/65/628549065.db2.gz IHYLTOHUWZLARI-CQSZACIVSA-N 2 1 297.406 2.180 20 0 CEADMP C1CC2(C1)C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)CC[NH2+]2 ZINC000925706612 628553046 /nfs/dbraw/zinc/55/30/46/628553046.db2.gz NPBYJPSGTYXYHR-IKGGRYGDSA-N 3 1 291.483 2.419 20 0 CEADMP CC(C)C[N@@H+](C)CCCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925714151 628570171 /nfs/dbraw/zinc/57/01/71/628570171.db2.gz WBDPXRRZPZHFFL-CABCVRRESA-N 3 1 269.477 2.460 20 0 CEADMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925714151 628570174 /nfs/dbraw/zinc/57/01/74/628570174.db2.gz WBDPXRRZPZHFFL-CABCVRRESA-N 3 1 269.477 2.460 20 0 CEADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925714151 628570175 /nfs/dbraw/zinc/57/01/75/628570175.db2.gz WBDPXRRZPZHFFL-CABCVRRESA-N 3 1 269.477 2.460 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H]1COCC1(C)C)[NH+]1CCCC1 ZINC000312975340 628571339 /nfs/dbraw/zinc/57/13/39/628571339.db2.gz CIXMLEKQDMITTL-KBPBESRZSA-N 2 1 254.418 2.121 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(CC)CC ZINC000902475343 634666372 /nfs/dbraw/zinc/66/63/72/634666372.db2.gz IWNUZJNMEZAXAU-XLWJZTARSA-N 2 1 266.429 2.453 20 0 CEADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000925730168 628670198 /nfs/dbraw/zinc/67/01/98/628670198.db2.gz OEQDTVSXCLXZQD-GXTWGEPZSA-N 2 1 282.815 2.146 20 0 CEADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@H+]1CCC(C)(C)C1 ZINC000902454037 634676182 /nfs/dbraw/zinc/67/61/82/634676182.db2.gz DZTGTFUMHITNEB-WBVHZDCISA-N 2 1 289.467 2.266 20 0 CEADMP C[C@@H](C1CC[NH+](C)CC1)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925752152 628712304 /nfs/dbraw/zinc/71/23/04/628712304.db2.gz GHTOYLAFKAARKX-ZDUSSCGKSA-N 2 1 289.423 2.194 20 0 CEADMP CC1(C)CC[N@@H+](CCN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000902458502 634678888 /nfs/dbraw/zinc/67/88/88/634678888.db2.gz YNVDQIQHBXLUGU-DLBZAZTESA-N 2 1 293.499 2.476 20 0 CEADMP CC1(C)CCN(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000902458502 634678893 /nfs/dbraw/zinc/67/88/93/634678893.db2.gz YNVDQIQHBXLUGU-DLBZAZTESA-N 2 1 293.499 2.476 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)O1)c1c[nH+]ccc1N ZINC000902462115 634681187 /nfs/dbraw/zinc/68/11/87/634681187.db2.gz SVTJNIOZGMUEAB-VXGBXAGGSA-N 2 1 263.385 2.492 20 0 CEADMP COc1cccc(C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C2CC2)c1 ZINC000902471954 634687888 /nfs/dbraw/zinc/68/78/88/634687888.db2.gz VIQFFCYEWWFDSL-DZOHQFGASA-N 2 1 286.419 2.499 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1F ZINC000925791143 628836437 /nfs/dbraw/zinc/83/64/37/628836437.db2.gz NYKZYZZQOYMTFI-MXWKQRLJSA-N 2 1 254.324 2.471 20 0 CEADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc[nH]1 ZINC000902502924 634693169 /nfs/dbraw/zinc/69/31/69/634693169.db2.gz VQSJLMHSUCVGRO-QEORTHHSSA-N 2 1 298.390 2.316 20 0 CEADMP CN(C)[C@H](CC[NH2+][C@H]1CC[NH2+]C12CCCC2)C(F)(F)F ZINC000925838657 628938355 /nfs/dbraw/zinc/93/83/55/628938355.db2.gz ZVOBNGYZAWSNQQ-NWDGAFQWSA-N 2 1 293.377 2.133 20 0 CEADMP CN(C)[C@@H](CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)C(F)(F)F ZINC000925838655 628938560 /nfs/dbraw/zinc/93/85/60/628938560.db2.gz ZVOBNGYZAWSNQQ-NEPJUHHUSA-N 2 1 293.377 2.133 20 0 CEADMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)C1CCSCC1 ZINC000925842637 628945458 /nfs/dbraw/zinc/94/54/58/628945458.db2.gz AQRRASRUTZMLSI-HNNXBMFYSA-N 2 1 299.528 2.183 20 0 CEADMP c1cc(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc2c1OCC2 ZINC000261607384 628946897 /nfs/dbraw/zinc/94/68/97/628946897.db2.gz DFTVWALPKDZDNL-UHFFFAOYSA-N 2 1 286.419 2.240 20 0 CEADMP FCC[C@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925846703 628949630 /nfs/dbraw/zinc/94/96/30/628949630.db2.gz OLTSZIMDDISEAA-HZPDHXFCSA-N 2 1 285.451 2.180 20 0 CEADMP CC(C)C1CC([NH2+]CCCCC[NH+]2CCNCC2)C1 ZINC000925847969 628952033 /nfs/dbraw/zinc/95/20/33/628952033.db2.gz XGMSJWPYJDUWPN-UHFFFAOYSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000251177892 628953677 /nfs/dbraw/zinc/95/36/77/628953677.db2.gz GNRMRNVHSCBBOU-KFWWJZLASA-N 2 1 265.445 2.124 20 0 CEADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000251177892 628953679 /nfs/dbraw/zinc/95/36/79/628953679.db2.gz GNRMRNVHSCBBOU-KFWWJZLASA-N 2 1 265.445 2.124 20 0 CEADMP Cc1ncccc1CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000902512691 634698570 /nfs/dbraw/zinc/69/85/70/634698570.db2.gz IUGOFJVCWNULMF-LBPRGKRZSA-N 2 1 256.353 2.091 20 0 CEADMP Cn1ncc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1C1CC1 ZINC000894037517 629096700 /nfs/dbraw/zinc/09/67/00/629096700.db2.gz OQGLBHOTIQRIJX-HNNXBMFYSA-N 2 1 276.428 2.214 20 0 CEADMP Cn1ncc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1C1CC1 ZINC000894037517 629096703 /nfs/dbraw/zinc/09/67/03/629096703.db2.gz OQGLBHOTIQRIJX-HNNXBMFYSA-N 2 1 276.428 2.214 20 0 CEADMP COCCCC1(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CCC1 ZINC000894084777 629113989 /nfs/dbraw/zinc/11/39/89/629113989.db2.gz VJMUYHDEVYLDFA-GASCZTMLSA-N 2 1 266.429 2.077 20 0 CEADMP COCCCC1(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CCC1 ZINC000894084777 629113991 /nfs/dbraw/zinc/11/39/91/629113991.db2.gz VJMUYHDEVYLDFA-GASCZTMLSA-N 2 1 266.429 2.077 20 0 CEADMP COCCCC1(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CCC1 ZINC000894084777 629113993 /nfs/dbraw/zinc/11/39/93/629113993.db2.gz VJMUYHDEVYLDFA-GASCZTMLSA-N 2 1 266.429 2.077 20 0 CEADMP C[C@@H]([NH2+]Cc1nccn1C)c1cccc(C[NH+](C)C)c1 ZINC000924939973 629280935 /nfs/dbraw/zinc/28/09/35/629280935.db2.gz VEAVUTAGPUVWAM-CYBMUJFWSA-N 2 1 272.396 2.333 20 0 CEADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000924960339 629297947 /nfs/dbraw/zinc/29/79/47/629297947.db2.gz PNIZBJQQQSHOJW-BZUAXINKSA-N 2 1 295.471 2.288 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000924960339 629297950 /nfs/dbraw/zinc/29/79/50/629297950.db2.gz PNIZBJQQQSHOJW-BZUAXINKSA-N 2 1 295.471 2.288 20 0 CEADMP COC(=O)c1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1C ZINC000902572805 634731149 /nfs/dbraw/zinc/73/11/49/634731149.db2.gz ZZHUUMRQMKUOKN-GFCCVEGCSA-N 2 1 278.396 2.069 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2cnn(C)c2)s1 ZINC000261999542 629420441 /nfs/dbraw/zinc/42/04/41/629420441.db2.gz TZYRIRBOGYRINV-NWDGAFQWSA-N 2 1 290.436 2.318 20 0 CEADMP CN(Cc1cn2ccnc2s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894418090 629449500 /nfs/dbraw/zinc/44/95/00/629449500.db2.gz ZNHISSOJTVWLEQ-FUNVUKJBSA-N 2 1 290.436 2.453 20 0 CEADMP Cc1cc(N)nc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)[nH+]1 ZINC000894559431 629526764 /nfs/dbraw/zinc/52/67/64/629526764.db2.gz GPCXDXYVELYSFO-LBPRGKRZSA-N 2 1 275.400 2.186 20 0 CEADMP Cc1cc(N)nc(N[C@H]2CC[N@H+](C3CCCCC3)C2)[nH+]1 ZINC000894559431 629526767 /nfs/dbraw/zinc/52/67/67/629526767.db2.gz GPCXDXYVELYSFO-LBPRGKRZSA-N 2 1 275.400 2.186 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894742322 629619016 /nfs/dbraw/zinc/61/90/16/629619016.db2.gz DKXHIJONCOLUIG-AGUYFDCRSA-N 2 1 263.360 2.244 20 0 CEADMP Cc1cc(F)ncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894742322 629619017 /nfs/dbraw/zinc/61/90/17/629619017.db2.gz DKXHIJONCOLUIG-AGUYFDCRSA-N 2 1 263.360 2.244 20 0 CEADMP Cc1coc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000894769399 629624749 /nfs/dbraw/zinc/62/47/49/629624749.db2.gz HAWUWWOIUVXAEX-INIZCTEOSA-N 2 1 291.439 2.188 20 0 CEADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2COCC2(C)C)[C@H](c2ccccc2)C1 ZINC000895085599 629875330 /nfs/dbraw/zinc/87/53/30/629875330.db2.gz NNJBPNFSKVWQOI-IKGGRYGDSA-N 2 1 288.435 2.346 20 0 CEADMP c1cc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)c(C2CC2)c[nH+]1 ZINC000895563898 630251343 /nfs/dbraw/zinc/25/13/43/630251343.db2.gz FLMBEDQMBDDWBJ-JKSUJKDBSA-N 2 1 289.448 2.373 20 0 CEADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902735243 634801275 /nfs/dbraw/zinc/80/12/75/634801275.db2.gz AGGSRYBXQFXRRZ-HIFUNWJGSA-N 2 1 266.429 2.120 20 0 CEADMP COc1ccc2[nH+]ccc(N[C@H]3CC[N@@H+](C)[C@@H]3C)c2c1 ZINC000895734166 630324820 /nfs/dbraw/zinc/32/48/20/630324820.db2.gz JDBURZKEYOBKHP-RISCZKNCSA-N 2 1 271.364 2.170 20 0 CEADMP Cc1[nH+]ccc(NC[C@H]2CC[N@H+]2C2CCOCC2)c1Cl ZINC000896520504 630588253 /nfs/dbraw/zinc/58/82/53/630588253.db2.gz CWFVYPLVFFKXFQ-CYBMUJFWSA-N 2 1 295.814 2.131 20 0 CEADMP CC[C@](C)(C[NH2+][C@H](CCN(C)C)c1cccnc1)OC ZINC000896716775 630648173 /nfs/dbraw/zinc/64/81/73/630648173.db2.gz LKQVRCMSXFFXCS-HZPDHXFCSA-N 2 1 279.428 2.479 20 0 CEADMP CCO[C@H](C[NH2+]C[C@H]1C[C@H]1c1ccccc1)C[NH+](C)C ZINC000896879848 630699148 /nfs/dbraw/zinc/69/91/48/630699148.db2.gz ICNGTNDZRLQTNK-ZACQAIPSSA-N 2 1 276.424 2.346 20 0 CEADMP CCN(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000310545023 630933070 /nfs/dbraw/zinc/93/30/70/630933070.db2.gz RZZMTKLDYIDVSV-NEPJUHHUSA-N 2 1 256.415 2.020 20 0 CEADMP Cc1[nH+]ccc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1Cl ZINC000897222584 630998592 /nfs/dbraw/zinc/99/85/92/630998592.db2.gz WBBVMOIBHHHWOG-QWHCGFSZSA-N 2 1 295.814 2.079 20 0 CEADMP CCC[N@@H+](Cc1ccc(C[NH3+])cc1)C1CC[NH2+]CC1 ZINC000904300080 635554069 /nfs/dbraw/zinc/55/40/69/635554069.db2.gz VOUMJTHBEZGKJD-UHFFFAOYSA-N 3 1 261.413 2.109 20 0 CEADMP CC[NH2+]CC1CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904301722 635554163 /nfs/dbraw/zinc/55/41/63/635554163.db2.gz PQJUPLLYTUTOII-HNNXBMFYSA-N 3 1 269.477 2.462 20 0 CEADMP C[NH2+]CC1CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904300191 635554205 /nfs/dbraw/zinc/55/42/05/635554205.db2.gz YMRNCDUGUAOXAC-AWEZNQCLSA-N 3 1 255.450 2.071 20 0 CEADMP [NH3+]Cc1ccc(C[N@@H+]2CCNCC23CCCCC3)cc1 ZINC000904301490 635554272 /nfs/dbraw/zinc/55/42/72/635554272.db2.gz MCSSFBJBGAWLIM-UHFFFAOYSA-N 2 1 273.424 2.253 20 0 CEADMP [NH3+]Cc1ccc(C[N@H+]2CCNCC23CCCCC3)cc1 ZINC000904301490 635554273 /nfs/dbraw/zinc/55/42/73/635554273.db2.gz MCSSFBJBGAWLIM-UHFFFAOYSA-N 2 1 273.424 2.253 20 0 CEADMP COc1ccc([C@H](CO)[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904322217 635567680 /nfs/dbraw/zinc/56/76/80/635567680.db2.gz SKDSDXAYMZBARW-IRXDYDNUSA-N 2 1 292.423 2.050 20 0 CEADMP COc1ccc([C@H](CO)[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904322217 635567683 /nfs/dbraw/zinc/56/76/83/635567683.db2.gz SKDSDXAYMZBARW-IRXDYDNUSA-N 2 1 292.423 2.050 20 0 CEADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000909598266 631094433 /nfs/dbraw/zinc/09/44/33/631094433.db2.gz OASMMDWPOAAZLU-HNNXBMFYSA-N 2 1 275.396 2.089 20 0 CEADMP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000800969527 631155843 /nfs/dbraw/zinc/15/58/43/631155843.db2.gz JQEPCVNMAZNFPF-VGWMRTNUSA-N 2 1 264.413 2.018 20 0 CEADMP C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000800969527 631155845 /nfs/dbraw/zinc/15/58/45/631155845.db2.gz JQEPCVNMAZNFPF-VGWMRTNUSA-N 2 1 264.413 2.018 20 0 CEADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000897437601 631515350 /nfs/dbraw/zinc/51/53/50/631515350.db2.gz MTSDXKIKTPRZEP-HNNXBMFYSA-N 2 1 266.429 2.266 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000897508993 631599373 /nfs/dbraw/zinc/59/93/73/631599373.db2.gz TWKIMUIRYDWNBO-GOEBONIOSA-N 2 1 275.396 2.195 20 0 CEADMP Cc1nccn1CCCOC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000803853855 631617428 /nfs/dbraw/zinc/61/74/28/631617428.db2.gz DNKYQOZVSRHHPV-HNNXBMFYSA-N 2 1 293.411 2.389 20 0 CEADMP Cc1[nH+]ccn1CCCOC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000803853855 631617433 /nfs/dbraw/zinc/61/74/33/631617433.db2.gz DNKYQOZVSRHHPV-HNNXBMFYSA-N 2 1 293.411 2.389 20 0 CEADMP Cc1[nH+]ccn1CCCOC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000803853855 631617437 /nfs/dbraw/zinc/61/74/37/631617437.db2.gz DNKYQOZVSRHHPV-HNNXBMFYSA-N 2 1 293.411 2.389 20 0 CEADMP O[C@@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000897537370 631686901 /nfs/dbraw/zinc/68/69/01/631686901.db2.gz VEGFBYQRUUTIOB-CZUORRHYSA-N 2 1 266.429 2.144 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](c3ccccn3)C2)CC[NH2+]1 ZINC000841018663 631791712 /nfs/dbraw/zinc/79/17/12/631791712.db2.gz NEIUXIOTUASCBK-QLFBSQMISA-N 2 1 259.397 2.259 20 0 CEADMP Cc1sccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000897620330 631831340 /nfs/dbraw/zinc/83/13/40/631831340.db2.gz NDESXHYGXMGOQC-KGLIPLIRSA-N 2 1 250.411 2.440 20 0 CEADMP Cc1sccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000897620330 631831345 /nfs/dbraw/zinc/83/13/45/631831345.db2.gz NDESXHYGXMGOQC-KGLIPLIRSA-N 2 1 250.411 2.440 20 0 CEADMP Cc1sccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000897620330 631831351 /nfs/dbraw/zinc/83/13/51/631831351.db2.gz NDESXHYGXMGOQC-KGLIPLIRSA-N 2 1 250.411 2.440 20 0 CEADMP Cc1sccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000897620330 631831356 /nfs/dbraw/zinc/83/13/56/631831356.db2.gz NDESXHYGXMGOQC-KGLIPLIRSA-N 2 1 250.411 2.440 20 0 CEADMP C[C@H]1C[N@@H+](CC(C)(C)CN(C)Cc2ccccc2)C[C@H]1O ZINC000897684861 631871342 /nfs/dbraw/zinc/87/13/42/631871342.db2.gz YAWJQOJRYLUAIE-DOTOQJQBSA-N 2 1 290.451 2.457 20 0 CEADMP C[C@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1O ZINC000897684861 631871344 /nfs/dbraw/zinc/87/13/44/631871344.db2.gz YAWJQOJRYLUAIE-DOTOQJQBSA-N 2 1 290.451 2.457 20 0 CEADMP C[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1O ZINC000897684861 631871352 /nfs/dbraw/zinc/87/13/52/631871352.db2.gz YAWJQOJRYLUAIE-DOTOQJQBSA-N 2 1 290.451 2.457 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CCC3(CC2)OCCO3)CC[N@H+]1C ZINC000897716132 631889266 /nfs/dbraw/zinc/88/92/66/631889266.db2.gz XGZOGVPYTITHML-HUUCEWRRSA-N 2 1 296.455 2.382 20 0 CEADMP C[C@@H]1CC2(CC([NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)C2)CO1 ZINC000897776891 631904530 /nfs/dbraw/zinc/90/45/30/631904530.db2.gz YTYYZZVMQJDJFW-NNNQGMHWSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@@H]1CC2(CC([NH2+]Cc3c[nH+]ccc3N(C)C)C2)CO1 ZINC000897779442 631912663 /nfs/dbraw/zinc/91/26/63/631912663.db2.gz QDFDGACZLDMDDV-XEBKBJJBSA-N 2 1 275.396 2.195 20 0 CEADMP CC(C)C(=O)CC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000808734635 632009823 /nfs/dbraw/zinc/00/98/23/632009823.db2.gz BEBVJCLBCOUATF-KGLIPLIRSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)C(=O)CCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000808734635 632009827 /nfs/dbraw/zinc/00/98/27/632009827.db2.gz BEBVJCLBCOUATF-KGLIPLIRSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)C(=O)CCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000808734635 632009829 /nfs/dbraw/zinc/00/98/29/632009829.db2.gz BEBVJCLBCOUATF-KGLIPLIRSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H](O)c1ncc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000809623888 632113753 /nfs/dbraw/zinc/11/37/53/632113753.db2.gz CWBAIBSRBVZDPR-TUAOUCFPSA-N 2 1 283.441 2.159 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)CC1CCC2(CC1)OCCO2 ZINC000809749982 632139662 /nfs/dbraw/zinc/13/96/62/632139662.db2.gz NTXUUFROFJZANT-UHFFFAOYSA-N 2 1 284.444 2.193 20 0 CEADMP O=C(O[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC[NH+](C2CC2)CC1 ZINC000810838375 632284269 /nfs/dbraw/zinc/28/42/69/632284269.db2.gz PBOLUCDBDXPDHS-CVEARBPZSA-N 2 1 292.423 2.031 20 0 CEADMP CCO[C@H](C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C)C[NH+](C)C ZINC000926963208 632391649 /nfs/dbraw/zinc/39/16/49/632391649.db2.gz SZTWNRRTUCKIRW-KBUPBQIOSA-N 2 1 256.434 2.367 20 0 CEADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccns2)CC1 ZINC000924657393 632398464 /nfs/dbraw/zinc/39/84/64/632398464.db2.gz CCFJPRKVOZYAQF-AWEZNQCLSA-N 2 1 296.484 2.211 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000924704253 632438828 /nfs/dbraw/zinc/43/88/28/632438828.db2.gz CEOHPULBYRDKGS-LSDHHAIUSA-N 2 1 299.422 2.260 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(-n3cnnc3)c2)C1 ZINC000924704252 632439161 /nfs/dbraw/zinc/43/91/61/632439161.db2.gz CEOHPULBYRDKGS-HUUCEWRRSA-N 2 1 299.422 2.260 20 0 CEADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000898786713 632597533 /nfs/dbraw/zinc/59/75/33/632597533.db2.gz ONLKMOHQFNRBLQ-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cnnn1-c1ccccc1 ZINC000813325988 632666095 /nfs/dbraw/zinc/66/60/95/632666095.db2.gz NXPUQLWCTRJDNC-HUUCEWRRSA-N 2 1 299.422 2.260 20 0 CEADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cnnn1-c1ccccc1 ZINC000813325988 632666097 /nfs/dbraw/zinc/66/60/97/632666097.db2.gz NXPUQLWCTRJDNC-HUUCEWRRSA-N 2 1 299.422 2.260 20 0 CEADMP C[C@@H](NC(=[NH2+])NC[C@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000899264087 632762264 /nfs/dbraw/zinc/76/22/64/632762264.db2.gz YVVDXSHGCGZNQG-CJNGLKHVSA-N 2 1 288.439 2.072 20 0 CEADMP CC[C@@](O)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(F)(F)F ZINC000905132710 635838416 /nfs/dbraw/zinc/83/84/16/635838416.db2.gz BGVXOBFOSSUVBX-PSEXLTFBSA-N 2 1 294.361 2.295 20 0 CEADMP C[NH+](C)CCCOC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815443943 633019576 /nfs/dbraw/zinc/01/95/76/633019576.db2.gz NWYPIYRDOOQSTE-OAHLLOKOSA-N 2 1 282.428 2.278 20 0 CEADMP Cc1nccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000816610690 633421798 /nfs/dbraw/zinc/42/17/98/633421798.db2.gz USXYZPYGGRYTGS-UHFFFAOYSA-N 2 1 284.407 2.479 20 0 CEADMP Cc1nccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000816610690 633421802 /nfs/dbraw/zinc/42/18/02/633421802.db2.gz USXYZPYGGRYTGS-UHFFFAOYSA-N 2 1 284.407 2.479 20 0 CEADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCOc1ccccc1F ZINC000817899398 633760391 /nfs/dbraw/zinc/76/03/91/633760391.db2.gz OHKPAYJMQHKIME-GXTWGEPZSA-N 2 1 266.360 2.182 20 0 CEADMP Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000817910562 633768468 /nfs/dbraw/zinc/76/84/68/633768468.db2.gz WBVUENSLZYUOFU-LRDDRELGSA-N 2 1 271.364 2.187 20 0 CEADMP CC[C@H]([NH2+]C[C@](C)(O)c1ccsc1)[C@@H]1CCC[NH2+]1 ZINC000817913677 633772123 /nfs/dbraw/zinc/77/21/23/633772123.db2.gz QOGUOXBIXIQECK-IHRRRGAJSA-N 2 1 268.426 2.076 20 0 CEADMP CC[C@H]([NH2+]C[C@](C)(O)c1cccs1)[C@@H]1CCC[NH2+]1 ZINC000817914704 633773442 /nfs/dbraw/zinc/77/34/42/633773442.db2.gz XVOJXWALZXYHSK-OBJOEFQTSA-N 2 1 268.426 2.076 20 0 CEADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)c2ccccc21 ZINC000817918704 633776820 /nfs/dbraw/zinc/77/68/20/633776820.db2.gz LMMAOYVLVKCZBG-WQVCFCJDSA-N 2 1 288.391 2.407 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)no1 ZINC000817949487 633794973 /nfs/dbraw/zinc/79/49/73/633794973.db2.gz RNUPTRFPYRRAFV-GFCCVEGCSA-N 2 1 259.353 2.335 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)C1CCCCC1 ZINC000817959840 633800587 /nfs/dbraw/zinc/80/05/87/633800587.db2.gz VYEGJROFTXOZLO-OAHLLOKOSA-N 2 1 282.428 2.169 20 0 CEADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(N2CCCOC2=O)cc1 ZINC000817959939 633803597 /nfs/dbraw/zinc/80/35/97/633803597.db2.gz IAEKEQBTPLQMGO-LBPRGKRZSA-N 2 1 291.395 2.421 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc2c(c1)CCO2 ZINC000817981536 633824137 /nfs/dbraw/zinc/82/41/37/633824137.db2.gz SZICGTCICSXXNI-HOTGVXAUSA-N 2 1 290.407 2.041 20 0 CEADMP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1C ZINC000817981715 633824929 /nfs/dbraw/zinc/82/49/29/633824929.db2.gz NAXHKFRANYICDW-LSDHHAIUSA-N 2 1 292.423 2.341 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000818981189 634027856 /nfs/dbraw/zinc/02/78/56/634027856.db2.gz SADXHNTVTRLKMR-BLLLJJGKSA-N 2 1 298.377 2.320 20 0 CEADMP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000818986788 634030425 /nfs/dbraw/zinc/03/04/25/634030425.db2.gz APCPJHBYPHZBLB-CZUORRHYSA-N 2 1 294.464 2.321 20 0 CEADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000818986788 634030431 /nfs/dbraw/zinc/03/04/31/634030431.db2.gz APCPJHBYPHZBLB-CZUORRHYSA-N 2 1 294.464 2.321 20 0 CEADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc(F)c2)C1 ZINC000819151326 634085776 /nfs/dbraw/zinc/08/57/76/634085776.db2.gz ARICPSXBOTYAFR-WMLDXEAASA-N 2 1 294.414 2.427 20 0 CEADMP Cc1ccc([C@H](O)C[NH2+][C@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000819219749 634108308 /nfs/dbraw/zinc/10/83/08/634108308.db2.gz GXUJZWUCHCZTFL-RHSMWYFYSA-N 2 1 274.408 2.268 20 0 CEADMP C[N@@H+](CCCC[NH2+]C[C@H](O)c1ccccc1)C1CC1 ZINC000819361574 634155380 /nfs/dbraw/zinc/15/53/80/634155380.db2.gz IILVRKLXXDUZSJ-INIZCTEOSA-N 2 1 262.397 2.184 20 0 CEADMP CCCn1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)nn1 ZINC000902819994 634841047 /nfs/dbraw/zinc/84/10/47/634841047.db2.gz ZBVQJLSBQHCQLN-ZDUSSCGKSA-N 2 1 290.415 2.324 20 0 CEADMP C[C@@H](Cn1ccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903064948 634952522 /nfs/dbraw/zinc/95/25/22/634952522.db2.gz FGTVAHBQRSASPR-WYQXTGKHSA-N 2 1 274.412 2.019 20 0 CEADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCOC1 ZINC000903104567 634972059 /nfs/dbraw/zinc/97/20/59/634972059.db2.gz WBRYPQYPNANHQQ-BBQCCYIRSA-N 2 1 264.413 2.159 20 0 CEADMP CCCC[N@@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903097532 634977590 /nfs/dbraw/zinc/97/75/90/634977590.db2.gz STOIBLPZALXACG-ZXFUBFMLSA-N 2 1 279.472 2.466 20 0 CEADMP CCCC[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903097532 634977594 /nfs/dbraw/zinc/97/75/94/634977594.db2.gz STOIBLPZALXACG-ZXFUBFMLSA-N 2 1 279.472 2.466 20 0 CEADMP CCCC[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903097532 634977596 /nfs/dbraw/zinc/97/75/96/634977596.db2.gz STOIBLPZALXACG-ZXFUBFMLSA-N 2 1 279.472 2.466 20 0 CEADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@]12C[C@@H]1CCCC2 ZINC000903161403 634993928 /nfs/dbraw/zinc/99/39/28/634993928.db2.gz HDFARSNPNCJHPZ-USXIJHARSA-N 2 1 278.440 2.410 20 0 CEADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)OC ZINC000903172625 634998203 /nfs/dbraw/zinc/99/82/03/634998203.db2.gz SYAZEMPMDYMJKO-FBAPMCOASA-N 2 1 252.402 2.159 20 0 CEADMP O[C@@H]1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903185927 635000512 /nfs/dbraw/zinc/00/05/12/635000512.db2.gz HWQVJGCCPCQOHX-SMMMKCNCSA-N 2 1 278.440 2.285 20 0 CEADMP O[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C12CCC2 ZINC000903200519 635010072 /nfs/dbraw/zinc/01/00/72/635010072.db2.gz QJRSFMDETOMDEL-IXCHPVQKSA-N 2 1 276.424 2.037 20 0 CEADMP COCC[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903186120 635011900 /nfs/dbraw/zinc/01/19/00/635011900.db2.gz NPGTYXJXZSNVST-WPXLMEDKSA-N 2 1 266.429 2.406 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H](CO)CCc2ccccc2)CC[N@@H+]1C ZINC000903290566 635053387 /nfs/dbraw/zinc/05/33/87/635053387.db2.gz YXHQOKPLWJRHOC-BHYGNILZSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H](CO)CCc2ccccc2)CC[N@H+]1C ZINC000903290566 635053389 /nfs/dbraw/zinc/05/33/89/635053389.db2.gz YXHQOKPLWJRHOC-BHYGNILZSA-N 2 1 276.424 2.052 20 0 CEADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000903308829 635060072 /nfs/dbraw/zinc/06/00/72/635060072.db2.gz LKBOFYVUOZCFRM-BBWFWOEESA-N 2 1 292.398 2.250 20 0 CEADMP C[N@@H+](CCOc1ccc(F)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903429234 635113827 /nfs/dbraw/zinc/11/38/27/635113827.db2.gz AGSRKZSYWNAEPA-OCCSQVGLSA-N 2 1 266.360 2.264 20 0 CEADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc(OC)c1 ZINC000903431133 635114840 /nfs/dbraw/zinc/11/48/40/635114840.db2.gz OQQXZBXATFSYCC-OCCSQVGLSA-N 2 1 278.396 2.263 20 0 CEADMP COc1ccc(C[N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000903435677 635117079 /nfs/dbraw/zinc/11/70/79/635117079.db2.gz VJMKBFCYTIAFFZ-HIFRSBDPSA-N 2 1 262.397 2.291 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000903435732 635117121 /nfs/dbraw/zinc/11/71/21/635117121.db2.gz XEQGOGNQLOBQDP-NORZTCDRSA-N 2 1 296.361 2.466 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000903435732 635117126 /nfs/dbraw/zinc/11/71/26/635117126.db2.gz XEQGOGNQLOBQDP-NORZTCDRSA-N 2 1 296.361 2.466 20 0 CEADMP COc1ccccc1C1([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903460800 635125887 /nfs/dbraw/zinc/12/58/87/635125887.db2.gz IKDRFJWIMRSDPJ-OLZOCXBDSA-N 2 1 260.381 2.129 20 0 CEADMP FC(F)(F)SCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472309 635142959 /nfs/dbraw/zinc/14/29/59/635142959.db2.gz RQJCEBKNYZDQLC-QMMMGPOBSA-N 2 1 254.321 2.114 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)C1 ZINC000903476358 635144785 /nfs/dbraw/zinc/14/47/85/635144785.db2.gz VEPDDPJMRNTHRI-JGGQBBKZSA-N 2 1 278.371 2.406 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000903476505 635146323 /nfs/dbraw/zinc/14/63/23/635146323.db2.gz ZAHVDMLLXPXXFS-DVOMOZLQSA-N 2 1 278.371 2.134 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000903491117 635156370 /nfs/dbraw/zinc/15/63/70/635156370.db2.gz VYRXYKMYBMXEBM-HBNTYKKESA-N 2 1 280.309 2.480 20 0 CEADMP Cc1nc([C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)no1 ZINC000903491148 635157787 /nfs/dbraw/zinc/15/77/87/635157787.db2.gz XMRLBSWBJFNXOK-HNNXBMFYSA-N 2 1 298.390 2.013 20 0 CEADMP C[N@H+](Cc1cccc(F)c1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717997 635233628 /nfs/dbraw/zinc/23/36/28/635233628.db2.gz GYMHDEQAIYSJIW-JKSUJKDBSA-N 2 1 278.371 2.026 20 0 CEADMP CCCC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903721966 635234950 /nfs/dbraw/zinc/23/49/50/635234950.db2.gz GOLRNKYPECSJMZ-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP COCC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCC1 ZINC000903725851 635238120 /nfs/dbraw/zinc/23/81/20/635238120.db2.gz ILRHLDKEADABRO-INIZCTEOSA-N 2 1 296.455 2.036 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCCC[NH2+]C2)C[C@H]1C ZINC000903738997 635252840 /nfs/dbraw/zinc/25/28/40/635252840.db2.gz APJNFWGAFGEPME-OAGGEKHMSA-N 3 1 267.461 2.181 20 0 CEADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903743483 635254389 /nfs/dbraw/zinc/25/43/89/635254389.db2.gz MEAUWXMJKBYSMH-IRCOFANPSA-N 2 1 280.334 2.156 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@H]2CCCC[NH2+]C2)[C@H]1c1ccccc1 ZINC000903760777 635255669 /nfs/dbraw/zinc/25/56/69/635255669.db2.gz YKXIXJBLGOCVIP-RYQLBKOJSA-N 2 1 287.451 2.411 20 0 CEADMP CN1CC[C@H]([NH2+]C[C@H]2CCCC[NH2+]C2)[C@H]1c1ccccc1 ZINC000903760777 635255676 /nfs/dbraw/zinc/25/56/76/635255676.db2.gz YKXIXJBLGOCVIP-RYQLBKOJSA-N 2 1 287.451 2.411 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCOC2CCSCC2)[C@@H]1CC[NH3+] ZINC000903762865 635256986 /nfs/dbraw/zinc/25/69/86/635256986.db2.gz FTOIJQRAHPDQKY-UKRRQHHQSA-N 2 1 286.485 2.348 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000903762835 635257473 /nfs/dbraw/zinc/25/74/73/635257473.db2.gz FBVSNQCJFWOWKZ-ARFHVFGLSA-N 2 1 266.429 2.267 20 0 CEADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000903769439 635259911 /nfs/dbraw/zinc/25/99/11/635259911.db2.gz GEGYFANQFPIIMS-VVLHAWIVSA-N 2 1 278.440 2.410 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000903778241 635265849 /nfs/dbraw/zinc/26/58/49/635265849.db2.gz LNDLSBKLUQBPME-IHRRRGAJSA-N 2 1 254.443 2.061 20 0 CEADMP C[C@@H]1c2sccc2CC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903783997 635268710 /nfs/dbraw/zinc/26/87/10/635268710.db2.gz IRCXTTIIGXLRJO-IVMMDQJWSA-N 2 1 292.448 2.436 20 0 CEADMP CO[C@@]1(C(F)(F)F)CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903783157 635269033 /nfs/dbraw/zinc/26/90/33/635269033.db2.gz VFSXWZSCJDHVRQ-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP CO[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903783157 635269036 /nfs/dbraw/zinc/26/90/36/635269036.db2.gz VFSXWZSCJDHVRQ-RYUDHWBXSA-N 2 1 280.334 2.029 20 0 CEADMP COCCCC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903814467 635272016 /nfs/dbraw/zinc/27/20/16/635272016.db2.gz LXOLNMGZVLAXNX-CQSZACIVSA-N 2 1 254.418 2.397 20 0 CEADMP CCC(C)(C)NC(=O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903815122 635272904 /nfs/dbraw/zinc/27/29/04/635272904.db2.gz QGSCBKYUGFEGHD-AWEZNQCLSA-N 2 1 295.471 2.275 20 0 CEADMP CCC(C)(C)NC(=O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903815122 635272908 /nfs/dbraw/zinc/27/29/08/635272908.db2.gz QGSCBKYUGFEGHD-AWEZNQCLSA-N 2 1 295.471 2.275 20 0 CEADMP CCO[C@H](C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000903803636 635279236 /nfs/dbraw/zinc/27/92/36/635279236.db2.gz ZHICPTNFYUMPKQ-RRFJBIMHSA-N 2 1 252.402 2.005 20 0 CEADMP CCO[C@H](C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000903803636 635279240 /nfs/dbraw/zinc/27/92/40/635279240.db2.gz ZHICPTNFYUMPKQ-RRFJBIMHSA-N 2 1 252.402 2.005 20 0 CEADMP Cc1nccnc1C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903813067 635286212 /nfs/dbraw/zinc/28/62/12/635286212.db2.gz YFMNTISMGOGZPX-OAHLLOKOSA-N 2 1 274.412 2.269 20 0 CEADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903813199 635286359 /nfs/dbraw/zinc/28/63/59/635286359.db2.gz YXAAAJWZNMCIQO-RRFJBIMHSA-N 2 1 294.439 2.169 20 0 CEADMP CC(C)COC[C@@H](O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812101 635286997 /nfs/dbraw/zinc/28/69/97/635286997.db2.gz PQXQKDZCUUPLSR-HOTGVXAUSA-N 2 1 298.471 2.003 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(O)ccc1Cl)C2 ZINC000903842996 635301520 /nfs/dbraw/zinc/30/15/20/635301520.db2.gz ZZQNYPCNRBRSOZ-DLOVCJGASA-N 2 1 266.772 2.357 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(O)ccc1Cl)C2 ZINC000903842996 635301528 /nfs/dbraw/zinc/30/15/28/635301528.db2.gz ZZQNYPCNRBRSOZ-DLOVCJGASA-N 2 1 266.772 2.357 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(Cl)n1)C2 ZINC000903843708 635302530 /nfs/dbraw/zinc/30/25/30/635302530.db2.gz QPGLMTPOTBKEBI-NHCYSSNCSA-N 2 1 251.761 2.047 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(Cl)n1)C2 ZINC000903843708 635302536 /nfs/dbraw/zinc/30/25/36/635302536.db2.gz QPGLMTPOTBKEBI-NHCYSSNCSA-N 2 1 251.761 2.047 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCCOCCc1ccccc1 ZINC000903855756 635306528 /nfs/dbraw/zinc/30/65/28/635306528.db2.gz OZZMTHXUHLCKDX-QZTJIDSGSA-N 2 1 288.435 2.449 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCCOCCc1ccccc1 ZINC000903855756 635306534 /nfs/dbraw/zinc/30/65/34/635306534.db2.gz OZZMTHXUHLCKDX-QZTJIDSGSA-N 2 1 288.435 2.449 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCCOc1ccc(F)cc1 ZINC000903856152 635307439 /nfs/dbraw/zinc/30/74/39/635307439.db2.gz QQNQNHHLHLZZEQ-CJNGLKHVSA-N 2 1 278.371 2.408 20 0 CEADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCCOc1ccc(F)cc1 ZINC000903856152 635307444 /nfs/dbraw/zinc/30/74/44/635307444.db2.gz QQNQNHHLHLZZEQ-CJNGLKHVSA-N 2 1 278.371 2.408 20 0 CEADMP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H](C)C(C)C ZINC000903890018 635316141 /nfs/dbraw/zinc/31/61/41/635316141.db2.gz YDVIGHUMHAEDHT-KBPBESRZSA-N 2 1 279.432 2.069 20 0 CEADMP C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903895831 635331880 /nfs/dbraw/zinc/33/18/80/635331880.db2.gz QEVGWRWRBQZKPD-CZUORRHYSA-N 2 1 274.408 2.068 20 0 CEADMP CC[C@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903895587 635332212 /nfs/dbraw/zinc/33/22/12/635332212.db2.gz OOXOWGIXZAJVAL-LSDHHAIUSA-N 2 1 291.443 2.215 20 0 CEADMP [NH3+][C@@H](CC(F)F)C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000903905692 635340950 /nfs/dbraw/zinc/34/09/50/635340950.db2.gz LRYQSUNXMARROF-GJZGRUSLSA-N 2 1 298.377 2.242 20 0 CEADMP [NH3+][C@@H](CC(F)F)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000903905692 635340953 /nfs/dbraw/zinc/34/09/53/635340953.db2.gz LRYQSUNXMARROF-GJZGRUSLSA-N 2 1 298.377 2.242 20 0 CEADMP C[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H](C2CC2)O1 ZINC000903910791 635344119 /nfs/dbraw/zinc/34/41/19/635344119.db2.gz QZEJFIONVRHSKY-UGSOOPFHSA-N 2 1 286.419 2.332 20 0 CEADMP CCOC(=O)[C@@H](CC)[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000903910298 635344667 /nfs/dbraw/zinc/34/46/67/635344667.db2.gz LFLTURKWWXBREG-NQKGRLOXSA-N 2 1 294.439 2.323 20 0 CEADMP CCC[C@@]1(COC)CCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903913239 635347322 /nfs/dbraw/zinc/34/73/22/635347322.db2.gz NRTFOMVNJTWQPU-AAEUAGOBSA-N 2 1 264.360 2.250 20 0 CEADMP CCC[C@@]1(COC)CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903913239 635347325 /nfs/dbraw/zinc/34/73/25/635347325.db2.gz NRTFOMVNJTWQPU-AAEUAGOBSA-N 2 1 264.360 2.250 20 0 CEADMP [NH3+]CCC[C@H](NC[C@@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903919676 635349060 /nfs/dbraw/zinc/34/90/60/635349060.db2.gz PMDAPHMJUNVXIB-STQMWFEESA-N 2 1 271.355 2.039 20 0 CEADMP N[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)CC(F)F ZINC000903919676 635349064 /nfs/dbraw/zinc/34/90/64/635349064.db2.gz PMDAPHMJUNVXIB-STQMWFEESA-N 2 1 271.355 2.039 20 0 CEADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903937514 635362636 /nfs/dbraw/zinc/36/26/36/635362636.db2.gz MJVOMCKVAVIERO-UCMJJCQDSA-N 3 1 279.472 2.214 20 0 CEADMP CC(C)(C)[C@@]1(CN)CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903937514 635362640 /nfs/dbraw/zinc/36/26/40/635362640.db2.gz MJVOMCKVAVIERO-UCMJJCQDSA-N 2 1 279.472 2.214 20 0 CEADMP CC(C)(C)[C@@]1(CN)CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903937514 635362644 /nfs/dbraw/zinc/36/26/44/635362644.db2.gz MJVOMCKVAVIERO-UCMJJCQDSA-N 2 1 279.472 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903917255 635365329 /nfs/dbraw/zinc/36/53/29/635365329.db2.gz XQQKWRRWHZZLLX-CBBWQLFWSA-N 2 1 291.443 2.069 20 0 CEADMP C[C@H]1C[C@H](C[N@@H+](C)CCc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000903960117 635369557 /nfs/dbraw/zinc/36/95/57/635369557.db2.gz XOQQKFMJOAQGFE-DZGCQCFKSA-N 2 1 290.407 2.278 20 0 CEADMP CCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903953186 635386324 /nfs/dbraw/zinc/38/63/24/635386324.db2.gz BUZGYQPXRHXOOA-ZDUSSCGKSA-N 2 1 284.350 2.420 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000903974196 635392717 /nfs/dbraw/zinc/39/27/17/635392717.db2.gz LPDLLNDULIXFHK-UKRRQHHQSA-N 2 1 284.407 2.412 20 0 CEADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000903976758 635393562 /nfs/dbraw/zinc/39/35/62/635393562.db2.gz ABUAWLIXNSIXEH-DGCLKSJQSA-N 2 1 288.395 2.395 20 0 CEADMP CC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CCC1 ZINC000903980583 635396914 /nfs/dbraw/zinc/39/69/14/635396914.db2.gz VFLWUDQDSSYHGY-IYBDPMFKSA-N 2 1 277.456 2.077 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)cnn1C ZINC000903986989 635406076 /nfs/dbraw/zinc/40/60/76/635406076.db2.gz WQHUFAXJVZALDQ-FMKPAKJESA-N 2 1 292.471 2.214 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(C(=O)OC)c(C)c2)CC[C@H]1[NH3+] ZINC000904301997 635555674 /nfs/dbraw/zinc/55/56/74/635555674.db2.gz SIANTYLYIAOORB-GOEBONIOSA-N 2 1 290.407 2.341 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000904303734 635555732 /nfs/dbraw/zinc/55/57/32/635555732.db2.gz FNLSBEUBCSKZCF-CFVMTHIKSA-N 2 1 288.391 2.332 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H](c2ccccc2)CO1 ZINC000904325183 635570652 /nfs/dbraw/zinc/57/06/52/635570652.db2.gz RYFGZIYFDBXTMV-VDERGJSUSA-N 2 1 260.381 2.186 20 0 CEADMP CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904326338 635571670 /nfs/dbraw/zinc/57/16/70/635571670.db2.gz HAMIEOSLXASEOY-VNQPRFMTSA-N 2 1 290.407 2.350 20 0 CEADMP C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904326578 635571965 /nfs/dbraw/zinc/57/19/65/635571965.db2.gz NBOBRCOWLXFQBG-OCAPTIKFSA-N 2 1 279.331 2.331 20 0 CEADMP C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904326578 635571972 /nfs/dbraw/zinc/57/19/72/635571972.db2.gz NBOBRCOWLXFQBG-OCAPTIKFSA-N 2 1 279.331 2.331 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1C ZINC000904370837 635592744 /nfs/dbraw/zinc/59/27/44/635592744.db2.gz FLJFPYFLKODOIY-IUODEOHRSA-N 2 1 290.407 2.198 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)C1 ZINC000904379006 635602948 /nfs/dbraw/zinc/60/29/48/635602948.db2.gz PKIIMUVUNOOELN-APIJFGDWSA-N 2 1 252.402 2.005 20 0 CEADMP CCOCc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)ccc1OC ZINC000904406133 635613797 /nfs/dbraw/zinc/61/37/97/635613797.db2.gz QDDKVOIIQVTCKJ-CQSZACIVSA-N 2 1 292.423 2.402 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406653 635614099 /nfs/dbraw/zinc/61/40/99/635614099.db2.gz TVKYAXIBKCMPSP-CQSZACIVSA-N 2 1 278.444 2.426 20 0 CEADMP COc1cc2c(cc1C[N@H+]1CC[C@@H](CC[NH3+])C1)O[C@@H](C)C2 ZINC000904409902 635615361 /nfs/dbraw/zinc/61/53/61/635615361.db2.gz KOLLPYUTBHUWDT-QWHCGFSZSA-N 2 1 290.407 2.189 20 0 CEADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)CCO1 ZINC000904411949 635619253 /nfs/dbraw/zinc/61/92/53/635619253.db2.gz QRRWAPVRZYIOPF-APIJFGDWSA-N 2 1 254.418 2.108 20 0 CEADMP CCc1cnc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)s1 ZINC000904411423 635619545 /nfs/dbraw/zinc/61/95/45/635619545.db2.gz MKWAOIJWZGRVCE-WDEREUQCSA-N 2 1 253.415 2.122 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1C ZINC000904412265 635620023 /nfs/dbraw/zinc/62/00/23/635620023.db2.gz RCSHOKYUCCCJPQ-UKRRQHHQSA-N 2 1 262.397 2.420 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1OC ZINC000904412938 635620455 /nfs/dbraw/zinc/62/04/55/635620455.db2.gz ZQOJAYQKWOEPBT-JSGCOSHPSA-N 2 1 278.396 2.121 20 0 CEADMP C[N@H+]1CCC[C@H](NC(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000904573098 635678507 /nfs/dbraw/zinc/67/85/07/635678507.db2.gz RKGZIHIDSKJGRU-AWEZNQCLSA-N 2 1 290.411 2.096 20 0 CEADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccccc2C[NH3+])CC[N@H+]1C ZINC000904656106 635688378 /nfs/dbraw/zinc/68/83/78/635688378.db2.gz UQUWEGADYMBMCI-TZMCWYRMSA-N 2 1 290.411 2.092 20 0 CEADMP CC[C@](O)(C[NH2+]C[C@H](C)Cn1cc[nH+]c1C)C(F)(F)F ZINC000905056357 635803214 /nfs/dbraw/zinc/80/32/14/635803214.db2.gz YKCIQZOXFGARLZ-JQWIXIFHSA-N 2 1 293.333 2.121 20 0 CEADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1 ZINC000826667234 635807126 /nfs/dbraw/zinc/80/71/26/635807126.db2.gz KOHPZMJTJCRLQZ-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000826667234 635807130 /nfs/dbraw/zinc/80/71/30/635807130.db2.gz KOHPZMJTJCRLQZ-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000826667234 635807136 /nfs/dbraw/zinc/80/71/36/635807136.db2.gz KOHPZMJTJCRLQZ-MRXNPFEDSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@](O)(C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)F ZINC000905241771 636192666 /nfs/dbraw/zinc/19/26/66/636192666.db2.gz GDHJZRPWCMYREX-GDBMZVCRSA-N 2 1 298.377 2.114 20 0 CEADMP N[C@H](Cc1cc2ccccc2o1)c1nc([C@H]2CCCN2)no1 ZINC000905305253 636228545 /nfs/dbraw/zinc/22/85/45/636228545.db2.gz QIEJDJDAVXICFJ-CHWSQXEVSA-N 2 1 298.346 2.483 20 0 CEADMP CC[C@H](C)[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C(=O)OC ZINC000905763222 636449069 /nfs/dbraw/zinc/44/90/69/636449069.db2.gz LSJKUIDWSPUGPW-SWLSCSKDSA-N 2 1 282.428 2.038 20 0 CEADMP C[C@](O)(C[NH2+]CCC[N@@H+]1CCc2ccccc2C1)C(F)F ZINC000905906137 636518865 /nfs/dbraw/zinc/51/88/65/636518865.db2.gz RWVPJNZUSNFNOQ-INIZCTEOSA-N 2 1 298.377 2.041 20 0 CEADMP C[C@](O)(C[NH2+]CCC[N@H+]1CCc2ccccc2C1)C(F)F ZINC000905906137 636518871 /nfs/dbraw/zinc/51/88/71/636518871.db2.gz RWVPJNZUSNFNOQ-INIZCTEOSA-N 2 1 298.377 2.041 20 0 CEADMP CCOc1cccc(C[NH2+]C2CC([NH3+])C2)c1OC(F)F ZINC000906507546 636757583 /nfs/dbraw/zinc/75/75/83/636757583.db2.gz AGCZJLSCMYYZNG-UHFFFAOYSA-N 2 1 286.322 2.266 20 0 CEADMP [NH3+]C1CC([NH2+]Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000906509201 636760864 /nfs/dbraw/zinc/76/08/64/636760864.db2.gz AGVRJCLAUMEWNK-UHFFFAOYSA-N 2 1 271.339 2.467 20 0 CEADMP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cn1 ZINC000906518479 636765406 /nfs/dbraw/zinc/76/54/06/636765406.db2.gz PIOSNRKMAIRGSP-SHTZXODSSA-N 2 1 282.391 2.429 20 0 CEADMP CCCC[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000906533386 636775531 /nfs/dbraw/zinc/77/55/31/636775531.db2.gz FDFXZZGRHLJXTH-INIZCTEOSA-N 2 1 262.397 2.143 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccnc(N(C)C)c2)C1 ZINC000906904391 636885490 /nfs/dbraw/zinc/88/54/90/636885490.db2.gz XJXCJDDHYAOOHJ-CYBMUJFWSA-N 2 1 290.411 2.208 20 0 CEADMP CCC[N@@H+]1CCC[C@@H](C(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000906904391 636885494 /nfs/dbraw/zinc/88/54/94/636885494.db2.gz XJXCJDDHYAOOHJ-CYBMUJFWSA-N 2 1 290.411 2.208 20 0 CEADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000906904391 636885496 /nfs/dbraw/zinc/88/54/96/636885496.db2.gz XJXCJDDHYAOOHJ-CYBMUJFWSA-N 2 1 290.411 2.208 20 0 CEADMP C[C@@H]1CCC[N@H+]1CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000831970339 637473611 /nfs/dbraw/zinc/47/36/11/637473611.db2.gz DNTPFSSUCPUZFJ-GDBMZVCRSA-N 2 1 289.423 2.067 20 0 CEADMP CCC[N@@H+](C)CC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000832238874 637525380 /nfs/dbraw/zinc/52/53/80/637525380.db2.gz MLYFEFWULUKDAK-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000909020857 637581588 /nfs/dbraw/zinc/58/15/88/637581588.db2.gz QUSRYZKKKGSXTL-HUUCEWRRSA-N 2 1 295.471 2.240 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)NCC12CCC[NH+]1CCC2 ZINC000834754474 637940824 /nfs/dbraw/zinc/94/08/24/637940824.db2.gz DERUKHMSEHJSIT-UHFFFAOYSA-N 2 1 295.471 2.243 20 0 CEADMP C[NH2+]Cc1ccccc1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000911683541 638355350 /nfs/dbraw/zinc/35/53/50/638355350.db2.gz ZPEDMRDKNFOJAC-OAHLLOKOSA-N 2 1 275.396 2.217 20 0 CEADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841029604 639621364 /nfs/dbraw/zinc/62/13/64/639621364.db2.gz GJZZBKHULWHSCK-LPWJVIDDSA-N 2 1 274.499 2.473 20 0 CEADMP C[C@]1(C[NH2+]Cc2ccc(Cl)nc2)CCC[NH2+]C1 ZINC000841056052 639634243 /nfs/dbraw/zinc/63/42/43/639634243.db2.gz BCVKSDSJDOPXMR-ZDUSSCGKSA-N 2 1 253.777 2.214 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC000228474582 639636200 /nfs/dbraw/zinc/63/62/00/639636200.db2.gz YJOMCUOXTRQIJP-YNEHKIRRSA-N 2 1 265.788 2.294 20 0 CEADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC000228474582 639636203 /nfs/dbraw/zinc/63/62/03/639636203.db2.gz YJOMCUOXTRQIJP-YNEHKIRRSA-N 2 1 265.788 2.294 20 0 CEADMP Cc1cc(C[NH2+][C@H](C)C[NH3+])cc(C)c1OC(F)F ZINC000841059936 639637071 /nfs/dbraw/zinc/63/70/71/639637071.db2.gz NBUPVYXBGCMFHU-SNVBAGLBSA-N 2 1 258.312 2.342 20 0 CEADMP CCC1CCC([N@H+](C)C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000311763267 639981803 /nfs/dbraw/zinc/98/18/03/639981803.db2.gz VFHPIEKWCIGPKR-GPANFISMSA-N 2 1 268.445 2.344 20 0 CEADMP CCC1CCC([N@@H+](C)C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000311763267 639981806 /nfs/dbraw/zinc/98/18/06/639981806.db2.gz VFHPIEKWCIGPKR-GPANFISMSA-N 2 1 268.445 2.344 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000842471824 640071118 /nfs/dbraw/zinc/07/11/18/640071118.db2.gz BSYZUPNTRZWJKL-NEPJUHHUSA-N 2 1 282.350 2.283 20 0 CEADMP CC(C)C(=O)NC[C@H]1CCC[N@@H+](CCCCCCC[NH3+])C1 ZINC000842471980 640071338 /nfs/dbraw/zinc/07/13/38/640071338.db2.gz KICDULZRFLJIKT-MRXNPFEDSA-N 2 1 297.487 2.380 20 0 CEADMP CCCCOC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000842472661 640072894 /nfs/dbraw/zinc/07/28/94/640072894.db2.gz INDUHVZAIZFGOX-ZFWWWQNUSA-N 2 1 282.428 2.182 20 0 CEADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000842477002 640077248 /nfs/dbraw/zinc/07/72/48/640077248.db2.gz ZSMAIKQVUNCOMZ-NSHDSACASA-N 2 1 253.777 2.213 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000842686954 640150137 /nfs/dbraw/zinc/15/01/37/640150137.db2.gz MFHPLIDXHZSPNY-LSDHHAIUSA-N 2 1 299.422 2.230 20 0 CEADMP C[C@H]1SCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000842779053 640179630 /nfs/dbraw/zinc/17/96/30/640179630.db2.gz JWPUPGMQOGAHDR-KOLCDFICSA-N 2 1 271.455 2.188 20 0 CEADMP C[N@@H+](Cc1nccn1CC(F)(F)F)C1CCC([NH3+])CC1 ZINC000843055728 640258222 /nfs/dbraw/zinc/25/82/22/640258222.db2.gz LXFZSQNDMPEGTO-UHFFFAOYSA-N 2 1 290.333 2.147 20 0 CEADMP Cc1cc(C)cc(NC(=O)C[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843352241 640400225 /nfs/dbraw/zinc/40/02/25/640400225.db2.gz CJGKRSLJKPHWIE-UHFFFAOYSA-N 2 1 289.423 2.444 20 0 CEADMP CC(C)C[N@H+](C[C@@H](C)[NH3+])C[C@@H](O)c1ccc(F)cc1 ZINC000843358908 640402697 /nfs/dbraw/zinc/40/26/97/640402697.db2.gz CSWAUWWHGPNMFW-IUODEOHRSA-N 2 1 268.376 2.164 20 0 CEADMP CC(C)C[N@@H+](C[C@@H](C)[NH3+])C[C@@H](O)c1ccc(F)cc1 ZINC000843358908 640402700 /nfs/dbraw/zinc/40/27/00/640402700.db2.gz CSWAUWWHGPNMFW-IUODEOHRSA-N 2 1 268.376 2.164 20 0 CEADMP CCCCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000843358849 640403005 /nfs/dbraw/zinc/40/30/05/640403005.db2.gz VKYCSQOTXGLGOI-HZPDHXFCSA-N 2 1 295.471 2.004 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843364990 640405822 /nfs/dbraw/zinc/40/58/22/640405822.db2.gz ZNKLYCWEKJDTKN-RRFJBIMHSA-N 2 1 283.460 2.131 20 0 CEADMP CCCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843364990 640405825 /nfs/dbraw/zinc/40/58/25/640405825.db2.gz ZNKLYCWEKJDTKN-RRFJBIMHSA-N 2 1 283.460 2.131 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843387316 640413945 /nfs/dbraw/zinc/41/39/45/640413945.db2.gz GHLLQMJUIBGQMM-LSDHHAIUSA-N 2 1 282.428 2.041 20 0 CEADMP CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000993316739 640595838 /nfs/dbraw/zinc/59/58/38/640595838.db2.gz RTHGQVCBBIZVCI-GJZGRUSLSA-N 2 1 295.471 2.240 20 0 CEADMP CN(C)c1cccc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000844221627 640635901 /nfs/dbraw/zinc/63/59/01/640635901.db2.gz IFAXJDAXORTWQG-RHSMWYFYSA-N 2 1 273.424 2.499 20 0 CEADMP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994405297 640832085 /nfs/dbraw/zinc/83/20/85/640832085.db2.gz IMQIGOSYRGODDG-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994405297 640832086 /nfs/dbraw/zinc/83/20/86/640832086.db2.gz IMQIGOSYRGODDG-HZPDHXFCSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ncco1 ZINC000925438006 640879500 /nfs/dbraw/zinc/87/95/00/640879500.db2.gz TZAPHFQJNCKUFE-HZSPNIEDSA-N 2 1 281.400 2.215 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ncco1 ZINC000925438006 640879504 /nfs/dbraw/zinc/87/95/04/640879504.db2.gz TZAPHFQJNCKUFE-HZSPNIEDSA-N 2 1 281.400 2.215 20 0 CEADMP C[N@H+]1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)CCC1(C)C ZINC000877207087 650627649 /nfs/dbraw/zinc/62/76/49/650627649.db2.gz YRKCZYSUNBEOJO-OAHLLOKOSA-N 2 1 295.471 2.227 20 0 CEADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000845935278 641132301 /nfs/dbraw/zinc/13/23/01/641132301.db2.gz MVOBKHZRUWESJV-LVQVYYBASA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000845935278 641132303 /nfs/dbraw/zinc/13/23/03/641132303.db2.gz MVOBKHZRUWESJV-LVQVYYBASA-N 2 1 266.429 2.408 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCC([NH3+])CC1 ZINC000846217723 641226248 /nfs/dbraw/zinc/22/62/48/641226248.db2.gz NHUWFTCOXCLTLV-UHFFFAOYSA-N 3 1 273.424 2.034 20 0 CEADMP c1c[nH]c([C@H]2CCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)n1 ZINC000846224553 641232361 /nfs/dbraw/zinc/23/23/61/641232361.db2.gz ZSQZHXRDCCJDEQ-MRXNPFEDSA-N 2 1 282.391 2.393 20 0 CEADMP c1c[nH]c([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)n1 ZINC000846224553 641232372 /nfs/dbraw/zinc/23/23/72/641232372.db2.gz ZSQZHXRDCCJDEQ-MRXNPFEDSA-N 2 1 282.391 2.393 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CCN1CC(F)(F)F ZINC000846223105 641233273 /nfs/dbraw/zinc/23/32/73/641233273.db2.gz GREIKTMMINQXGK-GFCCVEGCSA-N 2 1 281.366 2.074 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000846815240 641437400 /nfs/dbraw/zinc/43/74/00/641437400.db2.gz YDWQFURTYRUULK-QGZVFWFLSA-N 2 1 294.414 2.318 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000846815240 641437404 /nfs/dbraw/zinc/43/74/04/641437404.db2.gz YDWQFURTYRUULK-QGZVFWFLSA-N 2 1 294.414 2.318 20 0 CEADMP Cc1ccnc(C2CC[NH+](CCCc3c[nH+]cn3C)CC2)n1 ZINC000846858437 641458164 /nfs/dbraw/zinc/45/81/64/641458164.db2.gz FGEUMIZAMLKICM-UHFFFAOYSA-N 2 1 299.422 2.331 20 0 CEADMP C[N@H+]1CCN(C[C@]2(C)CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000250807326 641553902 /nfs/dbraw/zinc/55/39/02/641553902.db2.gz RVHKUDLAMBKIOS-ZWKOTPCHSA-N 2 1 287.451 2.365 20 0 CEADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000070149583 641636725 /nfs/dbraw/zinc/63/67/25/641636725.db2.gz JYVKFNDWTHYVSI-OAHLLOKOSA-N 2 1 293.386 2.358 20 0 CEADMP CCC[N@H+](C)C[C@H]1CC[NH+](CC(OCC)OCC)C1 ZINC000184977748 641927346 /nfs/dbraw/zinc/92/73/46/641927346.db2.gz XGUMFUGLOHTAQS-CQSZACIVSA-N 2 1 272.433 2.049 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(OCC)OCC)C1 ZINC000184977748 641927348 /nfs/dbraw/zinc/92/73/48/641927348.db2.gz XGUMFUGLOHTAQS-CQSZACIVSA-N 2 1 272.433 2.049 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC(OCC)OCC)C1 ZINC000184977748 641927349 /nfs/dbraw/zinc/92/73/49/641927349.db2.gz XGUMFUGLOHTAQS-CQSZACIVSA-N 2 1 272.433 2.049 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(OCC)OCC)C1 ZINC000184977748 641927351 /nfs/dbraw/zinc/92/73/51/641927351.db2.gz XGUMFUGLOHTAQS-CQSZACIVSA-N 2 1 272.433 2.049 20 0 CEADMP CCCCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848514794 642020289 /nfs/dbraw/zinc/02/02/89/642020289.db2.gz PYHWXXMPFFUKHJ-HNNXBMFYSA-N 2 1 254.418 2.410 20 0 CEADMP Cn1c2ccc(F)cc2nc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000848718854 642111095 /nfs/dbraw/zinc/11/10/95/642111095.db2.gz RGERUQGMXFFNGU-NEPJUHHUSA-N 2 1 276.359 2.072 20 0 CEADMP C[C@@H](CNC(=[NH2+])NC1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000848987139 642208785 /nfs/dbraw/zinc/20/87/85/642208785.db2.gz JZYWUICSLJAOCD-OLZOCXBDSA-N 2 1 266.433 2.163 20 0 CEADMP [NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC1 ZINC000848996584 642216022 /nfs/dbraw/zinc/21/60/22/642216022.db2.gz HRLVULNPHCSCEG-MRXNPFEDSA-N 2 1 286.423 2.129 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NC1CCC1 ZINC000848998929 642218716 /nfs/dbraw/zinc/21/87/16/642218716.db2.gz JSOWMELCWRUASX-CQSZACIVSA-N 2 1 266.433 2.307 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC/C=C\c1ccccc1 ZINC000849008768 642225224 /nfs/dbraw/zinc/22/52/24/642225224.db2.gz QVDAJEIVYSUEHC-DIEDAUMRSA-N 2 1 286.423 2.298 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc2cc[nH]c21 ZINC000849021048 642234856 /nfs/dbraw/zinc/23/48/56/642234856.db2.gz ITHZEYSYGCOPRJ-OAHLLOKOSA-N 2 1 299.422 2.266 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C1CC1 ZINC000921557449 642240219 /nfs/dbraw/zinc/24/02/19/642240219.db2.gz KOOUDEJBZYKHKU-KLHDSHLOSA-N 2 1 266.429 2.121 20 0 CEADMP CC(C)C[NH2+]C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997362018 642241930 /nfs/dbraw/zinc/24/19/30/642241930.db2.gz ZKYDJQRAFDEEPL-GASCZTMLSA-N 2 1 295.471 2.096 20 0 CEADMP CCc1ccc([C@@H](CNC(=[NH2+])NC)[NH+](CC)CC)cc1 ZINC000849031054 642243761 /nfs/dbraw/zinc/24/37/61/642243761.db2.gz SOBUREYXLLXOPR-OAHLLOKOSA-N 2 1 276.428 2.376 20 0 CEADMP CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000997433455 642262010 /nfs/dbraw/zinc/26/20/10/642262010.db2.gz HHRIMOFJPJOYNS-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCC([NH2+]Cc2c3c(nn2C)CCC3)CC1 ZINC000921621650 642279765 /nfs/dbraw/zinc/27/97/65/642279765.db2.gz XYWYUTUYXJRSNN-UHFFFAOYSA-N 2 1 290.455 2.263 20 0 CEADMP CCOC(=O)C1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000877473154 650737913 /nfs/dbraw/zinc/73/79/13/650737913.db2.gz DTIOIRYQNKPPLA-KGLIPLIRSA-N 2 1 282.428 2.182 20 0 CEADMP CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997951499 642346074 /nfs/dbraw/zinc/34/60/74/642346074.db2.gz YFLDXEZQKCHLEF-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997951499 642346078 /nfs/dbraw/zinc/34/60/78/642346078.db2.gz YFLDXEZQKCHLEF-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000372754 642595369 /nfs/dbraw/zinc/59/53/69/642595369.db2.gz NSQVPFZYQGATEA-HZPDHXFCSA-N 2 1 295.471 2.240 20 0 CEADMP Cc1[nH+]cc(CNc2ccc(N3CC[NH+](C)CC3)cc2)n1C ZINC000850202522 642616989 /nfs/dbraw/zinc/61/69/89/642616989.db2.gz ZGNJLKOPPURSRQ-UHFFFAOYSA-N 2 1 299.422 2.092 20 0 CEADMP C[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccn1 ZINC000850343138 642672999 /nfs/dbraw/zinc/67/29/99/642672999.db2.gz PNPRYWGUFXLHMY-LBPRGKRZSA-N 2 1 290.436 2.493 20 0 CEADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[C@@H]2CCC[C@@H]21 ZINC000850433392 642711761 /nfs/dbraw/zinc/71/17/61/642711761.db2.gz LXJJCHYZRQYFJU-DGXTUMSLSA-N 2 1 278.440 2.264 20 0 CEADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[C@@H]2CCC[C@@H]21 ZINC000850433392 642711766 /nfs/dbraw/zinc/71/17/66/642711766.db2.gz LXJJCHYZRQYFJU-DGXTUMSLSA-N 2 1 278.440 2.264 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC001001465491 642723457 /nfs/dbraw/zinc/72/34/57/642723457.db2.gz CILPMEXHNMJABN-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)c3ccccc32)[C@H](C)C1 ZINC000850528315 642742506 /nfs/dbraw/zinc/74/25/06/642742506.db2.gz GXKSQYCQRQGWQH-ZFVVBOAOSA-N 2 1 274.408 2.485 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)c3ccccc32)[C@H](C)C1 ZINC000850528315 642742509 /nfs/dbraw/zinc/74/25/09/642742509.db2.gz GXKSQYCQRQGWQH-ZFVVBOAOSA-N 2 1 274.408 2.485 20 0 CEADMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@@H]1CC[C@H]3COCC[C@H]3C1)CC2 ZINC000922064057 642861474 /nfs/dbraw/zinc/86/14/74/642861474.db2.gz RWAWYFQKYPQYCS-FXUDXRNXSA-N 2 1 289.423 2.240 20 0 CEADMP CCc1[nH]nc(Cl)c1C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000922063699 642861972 /nfs/dbraw/zinc/86/19/72/642861972.db2.gz NMXLOBOYCBWHFG-SNVBAGLBSA-N 2 1 293.802 2.174 20 0 CEADMP Cc1occc1C[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922390423 643058075 /nfs/dbraw/zinc/05/80/75/643058075.db2.gz MJHSHYAZZAMKTK-NCOADZHNSA-N 2 1 292.423 2.157 20 0 CEADMP CCO[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1)C[NH+](C)C ZINC000922754714 643245697 /nfs/dbraw/zinc/24/56/97/643245697.db2.gz SIRZDCXTBAHAGE-XJKSGUPXSA-N 2 1 282.403 2.313 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CC[C@H]3COC(C)(C)O3)C2)CC1 ZINC000852007584 643263601 /nfs/dbraw/zinc/26/36/01/643263601.db2.gz OTCJDGAHPPJQJT-HNNXBMFYSA-N 2 1 296.455 2.336 20 0 CEADMP COCC[N@@H+](CCC1CCOCC1)CC1CC[NH+](C)CC1 ZINC000877663902 650839588 /nfs/dbraw/zinc/83/95/88/650839588.db2.gz CPISARUYVIGEMW-UHFFFAOYSA-N 2 1 298.471 2.093 20 0 CEADMP C[C@@H](CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)(C)C ZINC000877669882 650842443 /nfs/dbraw/zinc/84/24/43/650842443.db2.gz CYZJJFBOFNDWET-ARFHVFGLSA-N 2 1 283.504 2.340 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852754294 643538184 /nfs/dbraw/zinc/53/81/84/643538184.db2.gz SJAPUDBNSMEKRU-MRXNPFEDSA-N 2 1 296.455 2.431 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@H+](CCC(=O)C(C)(C)C)CCO1 ZINC000852760501 643540322 /nfs/dbraw/zinc/54/03/22/643540322.db2.gz GXLBUPOTAOLCLG-AWEZNQCLSA-N 2 1 284.444 2.034 20 0 CEADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCC(=O)C(C)(C)C)CCO1 ZINC000852760501 643540333 /nfs/dbraw/zinc/54/03/33/643540333.db2.gz GXLBUPOTAOLCLG-AWEZNQCLSA-N 2 1 284.444 2.034 20 0 CEADMP FCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000852762149 643541552 /nfs/dbraw/zinc/54/15/52/643541552.db2.gz HISXCWSMUAGVGN-UHFFFAOYSA-N 2 1 280.391 2.026 20 0 CEADMP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000877689721 650851914 /nfs/dbraw/zinc/85/19/14/650851914.db2.gz JJIPGHJMODQNBR-AWEZNQCLSA-N 2 1 252.402 2.485 20 0 CEADMP Cc1csc(C[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000923271031 643630929 /nfs/dbraw/zinc/63/09/29/643630929.db2.gz IJJDMHYNWAYADT-CQSZACIVSA-N 2 1 279.453 2.316 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000923291062 643644221 /nfs/dbraw/zinc/64/42/21/643644221.db2.gz APBZVWPGXVDNPD-ROUUACIJSA-N 2 1 284.403 2.166 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000923291062 643644227 /nfs/dbraw/zinc/64/42/27/643644227.db2.gz APBZVWPGXVDNPD-ROUUACIJSA-N 2 1 284.403 2.166 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H](O)c1ccc(F)c(F)c1 ZINC000923294128 643646203 /nfs/dbraw/zinc/64/62/03/643646203.db2.gz HLHRGRUWXSPWQI-CABCVRRESA-N 2 1 286.366 2.303 20 0 CEADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301682 643649324 /nfs/dbraw/zinc/64/93/24/643649324.db2.gz LGKZYOBSKRNQLK-DOMZBBRYSA-N 2 1 278.371 2.197 20 0 CEADMP C[N@@H+](CCC1CCCCC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923312689 643652859 /nfs/dbraw/zinc/65/28/59/643652859.db2.gz NQHSFLQGNRGGQI-HNNXBMFYSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316301 643655029 /nfs/dbraw/zinc/65/50/29/643655029.db2.gz GYLOGWQGDFPBEG-HYVNUMGLSA-N 2 1 286.419 2.243 20 0 CEADMP Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923322690 643662333 /nfs/dbraw/zinc/66/23/33/643662333.db2.gz MWJSJYPEHRTUFL-YPMHNXCESA-N 2 1 295.452 2.131 20 0 CEADMP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1CCC[NH2+]C1CC1 ZINC000923327228 643664569 /nfs/dbraw/zinc/66/45/69/643664569.db2.gz QUOMLIFHKCXWQM-HOTGVXAUSA-N 2 1 265.445 2.077 20 0 CEADMP c1c[nH]c([C@H]2CCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923372598 643679478 /nfs/dbraw/zinc/67/94/78/643679478.db2.gz HJSCUMKKFKHYMP-JALIKCBVSA-N 2 1 274.412 2.467 20 0 CEADMP [NH3+]C[C@H]([NH2+]C[C@H](O)CC1CCCC1)C1CCCCC1 ZINC000923374389 643685383 /nfs/dbraw/zinc/68/53/83/643685383.db2.gz STQDREIWENMADH-CVEARBPZSA-N 2 1 268.445 2.425 20 0 CEADMP COC(=O)[C@@H](C)[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1 ZINC000923375986 643685481 /nfs/dbraw/zinc/68/54/81/643685481.db2.gz GWLLUMCUMAAWBP-BBRMVZONSA-N 2 1 290.407 2.269 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923391263 643690771 /nfs/dbraw/zinc/69/07/71/643690771.db2.gz XECFDWLDUQTIEY-IAGOWNOFSA-N 2 1 282.472 2.495 20 0 CEADMP O[C@H](CCc1ccccc1)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923415468 643703163 /nfs/dbraw/zinc/70/31/63/643703163.db2.gz RUOZPCJDHXWZAL-KURKYZTESA-N 2 1 288.435 2.054 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H]1c1ccccc1 ZINC000923424366 643703707 /nfs/dbraw/zinc/70/37/07/643703707.db2.gz FXDQQBSBSXFBNP-HYVNUMGLSA-N 2 1 286.419 2.448 20 0 CEADMP Cc1ccc([C@H](O)C[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000923427659 643705926 /nfs/dbraw/zinc/70/59/26/643705926.db2.gz UQPGRGJWYVWWJH-MRXNPFEDSA-N 2 1 264.413 2.479 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923426407 643706233 /nfs/dbraw/zinc/70/62/33/643706233.db2.gz CYEUJSMADFADMY-IAGOWNOFSA-N 2 1 280.456 2.393 20 0 CEADMP [NH3+]CCCCCC[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000923443090 643718752 /nfs/dbraw/zinc/71/87/52/643718752.db2.gz UELJGERJXVCJST-UHFFFAOYSA-N 2 1 262.401 2.095 20 0 CEADMP c1[nH]nc2c1[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000853239900 643718933 /nfs/dbraw/zinc/71/89/33/643718933.db2.gz KARURKDIPMGKBF-HOCLYGCPSA-N 2 1 288.439 2.499 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C(C)(C)O1 ZINC000923454854 643722752 /nfs/dbraw/zinc/72/27/52/643722752.db2.gz PEFUQAJDNWPKJC-MELADBBJSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)(C)c1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)co1 ZINC000923478479 643728180 /nfs/dbraw/zinc/72/81/80/643728180.db2.gz CMGPWMCMLSICSI-LLVKDONJSA-N 2 1 251.374 2.143 20 0 CEADMP CCCCc1noc([C@H](C)[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000923487336 643729725 /nfs/dbraw/zinc/72/97/25/643729725.db2.gz ZUHVCXQCMNDPNI-NWDGAFQWSA-N 2 1 266.389 2.144 20 0 CEADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487953 643731996 /nfs/dbraw/zinc/73/19/96/643731996.db2.gz OMOXAFHGMNORJB-NWDGAFQWSA-N 2 1 295.814 2.338 20 0 CEADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487953 643731998 /nfs/dbraw/zinc/73/19/98/643731998.db2.gz OMOXAFHGMNORJB-NWDGAFQWSA-N 2 1 295.814 2.338 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000923490010 643735382 /nfs/dbraw/zinc/73/53/82/643735382.db2.gz GUQBRMHNEMGQDL-LLVKDONJSA-N 2 1 270.323 2.459 20 0 CEADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000923492931 643737595 /nfs/dbraw/zinc/73/75/95/643737595.db2.gz ZOVACLPMRHVSCS-IVMMDQJWSA-N 2 1 280.387 2.430 20 0 CEADMP Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923505509 643742952 /nfs/dbraw/zinc/74/29/52/643742952.db2.gz AIBUGKIZIYGILG-LSDHHAIUSA-N 2 1 289.423 2.159 20 0 CEADMP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2Cl)CC[C@@H]1C[NH3+] ZINC000923510362 643746306 /nfs/dbraw/zinc/74/63/06/643746306.db2.gz SOCPGAGCOUOIRN-VXGBXAGGSA-N 2 1 295.814 2.195 20 0 CEADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2Cl)CC[C@@H]1C[NH3+] ZINC000923510362 643746309 /nfs/dbraw/zinc/74/63/09/643746309.db2.gz SOCPGAGCOUOIRN-VXGBXAGGSA-N 2 1 295.814 2.195 20 0 CEADMP CO[C@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000923516299 643747212 /nfs/dbraw/zinc/74/72/12/643747212.db2.gz YITAQZOUBJKONR-ARFHVFGLSA-N 2 1 266.429 2.123 20 0 CEADMP CC(C)C[C@@H]1CN(C)CC[N@H+]1CCCCCC[NH3+] ZINC000923552865 643759098 /nfs/dbraw/zinc/75/90/98/643759098.db2.gz DYLBPRCXRZYNPB-OAHLLOKOSA-N 2 1 255.450 2.168 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1cccc(=O)[nH]1 ZINC000923553582 643759951 /nfs/dbraw/zinc/75/99/51/643759951.db2.gz KXKLXSHBKSZQNP-UHFFFAOYSA-N 2 1 283.375 2.065 20 0 CEADMP Cc1csc(C[C@@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)n1 ZINC000923550329 643761309 /nfs/dbraw/zinc/76/13/09/643761309.db2.gz BHTUZNGUYYTOOD-ZDUSSCGKSA-N 2 1 279.453 2.458 20 0 CEADMP O=C1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CCCN1 ZINC000877732817 650876830 /nfs/dbraw/zinc/87/68/30/650876830.db2.gz KLPPUPHVTOHMJK-GDBMZVCRSA-N 2 1 293.455 2.042 20 0 CEADMP O=C1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CCCN1 ZINC000877732817 650876833 /nfs/dbraw/zinc/87/68/33/650876833.db2.gz KLPPUPHVTOHMJK-GDBMZVCRSA-N 2 1 293.455 2.042 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229674 644017758 /nfs/dbraw/zinc/01/77/58/644017758.db2.gz UISNLFNEJZKCFJ-XQHKEYJVSA-N 2 1 274.355 2.050 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000838860379 644052412 /nfs/dbraw/zinc/05/24/12/644052412.db2.gz VPFNSNGKICILIY-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000838860379 644052416 /nfs/dbraw/zinc/05/24/16/644052416.db2.gz VPFNSNGKICILIY-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000838860379 644052418 /nfs/dbraw/zinc/05/24/18/644052418.db2.gz VPFNSNGKICILIY-LSDHHAIUSA-N 2 1 296.455 2.382 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877743712 650889408 /nfs/dbraw/zinc/88/94/08/650889408.db2.gz LXMSHRXBJBFOQH-GDBMZVCRSA-N 2 1 260.381 2.221 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000877743712 650889411 /nfs/dbraw/zinc/88/94/11/650889411.db2.gz LXMSHRXBJBFOQH-GDBMZVCRSA-N 2 1 260.381 2.221 20 0 CEADMP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000877743712 650889413 /nfs/dbraw/zinc/88/94/13/650889413.db2.gz LXMSHRXBJBFOQH-GDBMZVCRSA-N 2 1 260.381 2.221 20 0 CEADMP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877743712 650889417 /nfs/dbraw/zinc/88/94/17/650889417.db2.gz LXMSHRXBJBFOQH-GDBMZVCRSA-N 2 1 260.381 2.221 20 0 CEADMP CC(C)C[N@H+](Cc1nccn1C)CC1CC[NH+](C)CC1 ZINC000877767390 650903307 /nfs/dbraw/zinc/90/33/07/650903307.db2.gz GWCFNQPSAFXESX-UHFFFAOYSA-N 2 1 278.444 2.220 20 0 CEADMP C/C(=C\C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C(C)(C)C ZINC000855345153 644312338 /nfs/dbraw/zinc/31/23/38/644312338.db2.gz NIGSAAMICIGSFF-ZQHYZAEZSA-N 2 1 297.487 2.367 20 0 CEADMP C/C(=C\C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C(C)(C)C ZINC000855345153 644312343 /nfs/dbraw/zinc/31/23/43/644312343.db2.gz NIGSAAMICIGSFF-ZQHYZAEZSA-N 2 1 297.487 2.367 20 0 CEADMP CC1([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC(F)(F)C1 ZINC000877834696 650927369 /nfs/dbraw/zinc/92/73/69/650927369.db2.gz VCPISWCUCJLIBY-ZDUSSCGKSA-N 2 1 288.382 2.407 20 0 CEADMP Cn1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(Cl)n1 ZINC000856789728 644724241 /nfs/dbraw/zinc/72/42/41/644724241.db2.gz JMSQFLKNGJIKBR-UHFFFAOYSA-N 2 1 270.808 2.038 20 0 CEADMP CC(C)[C@@H](O)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000877971895 650963488 /nfs/dbraw/zinc/96/34/88/650963488.db2.gz SDUFWFCXDXFMEY-INIZCTEOSA-N 2 1 268.445 2.344 20 0 CEADMP C[C@H](Nc1nc(N2CCCC2)cc[nH+]1)C(C)(C)C[NH+](C)C ZINC000759239416 645001324 /nfs/dbraw/zinc/00/13/24/645001324.db2.gz WTHFOAJPPXPGEZ-ZDUSSCGKSA-N 2 1 291.443 2.465 20 0 CEADMP C[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000858104270 645061221 /nfs/dbraw/zinc/06/12/21/645061221.db2.gz DUVPUMAPNJXIQD-LSDHHAIUSA-N 2 1 267.461 2.323 20 0 CEADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858127197 645069455 /nfs/dbraw/zinc/06/94/55/645069455.db2.gz CCUHQSODAZSLJW-CQSZACIVSA-N 2 1 265.376 2.431 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccnc(F)c2)C1 ZINC000858127197 645069462 /nfs/dbraw/zinc/06/94/62/645069462.db2.gz CCUHQSODAZSLJW-CQSZACIVSA-N 2 1 265.376 2.431 20 0 CEADMP CC(C)C[N@H+](C[C@H](O)C[NH+]1CCCC1)CC(C)(C)C ZINC000762061647 645359029 /nfs/dbraw/zinc/35/90/29/645359029.db2.gz ICVREUXGAVQDQA-OAHLLOKOSA-N 2 1 270.461 2.447 20 0 CEADMP CC(C)C[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC(C)(C)C ZINC000762061647 645359031 /nfs/dbraw/zinc/35/90/31/645359031.db2.gz ICVREUXGAVQDQA-OAHLLOKOSA-N 2 1 270.461 2.447 20 0 CEADMP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000878125057 651007724 /nfs/dbraw/zinc/00/77/24/651007724.db2.gz MESWIYLUBNBBEI-YLFCFFPRSA-N 2 1 278.440 2.362 20 0 CEADMP CC1(C)CCC(C)(C)[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000859471274 645492236 /nfs/dbraw/zinc/49/22/36/645492236.db2.gz AMSKALWWNSXZLH-CQSZACIVSA-N 2 1 268.445 2.344 20 0 CEADMP CC1(C)CCC(C)(C)[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000859471274 645492242 /nfs/dbraw/zinc/49/22/42/645492242.db2.gz AMSKALWWNSXZLH-CQSZACIVSA-N 2 1 268.445 2.344 20 0 CEADMP CC(C)[C@@H](O)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000878156845 651016746 /nfs/dbraw/zinc/01/67/46/651016746.db2.gz QILKTVJDCDAHAD-HOTGVXAUSA-N 2 1 268.445 2.057 20 0 CEADMP CC(C)[C@@H](O)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000878156845 651016747 /nfs/dbraw/zinc/01/67/47/651016747.db2.gz QILKTVJDCDAHAD-HOTGVXAUSA-N 2 1 268.445 2.057 20 0 CEADMP CC(C)[C@@H](O)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000878156845 651016749 /nfs/dbraw/zinc/01/67/49/651016749.db2.gz QILKTVJDCDAHAD-HOTGVXAUSA-N 2 1 268.445 2.057 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H](O)C(C)C)C1 ZINC000878159619 651017844 /nfs/dbraw/zinc/01/78/44/651017844.db2.gz OVEHTVQYYNKNEF-LSDHHAIUSA-N 2 1 256.434 2.057 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H](O)C(C)C)C1 ZINC000878159619 651017847 /nfs/dbraw/zinc/01/78/47/651017847.db2.gz OVEHTVQYYNKNEF-LSDHHAIUSA-N 2 1 256.434 2.057 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCCOC(F)(F)F)CC[N@@H+]1C ZINC000878163800 651020074 /nfs/dbraw/zinc/02/00/74/651020074.db2.gz WRRCCZLUMIOOSH-WDEREUQCSA-N 2 1 268.323 2.327 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCCOC(F)(F)F)CC[N@H+]1C ZINC000878163800 651020077 /nfs/dbraw/zinc/02/00/77/651020077.db2.gz WRRCCZLUMIOOSH-WDEREUQCSA-N 2 1 268.323 2.327 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CCCOC(F)(F)F)CC[NH+]1C ZINC000878163800 651020079 /nfs/dbraw/zinc/02/00/79/651020079.db2.gz WRRCCZLUMIOOSH-WDEREUQCSA-N 2 1 268.323 2.327 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCCOC(F)(F)F)CC[NH+]1C ZINC000878163800 651020082 /nfs/dbraw/zinc/02/00/82/651020082.db2.gz WRRCCZLUMIOOSH-WDEREUQCSA-N 2 1 268.323 2.327 20 0 CEADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000878165409 651020650 /nfs/dbraw/zinc/02/06/50/651020650.db2.gz YMZDVJRNWKJHHQ-BPUTZDHNSA-N 2 1 266.429 2.360 20 0 CEADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000878165409 651020654 /nfs/dbraw/zinc/02/06/54/651020654.db2.gz YMZDVJRNWKJHHQ-BPUTZDHNSA-N 2 1 266.429 2.360 20 0 CEADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000878235470 651042122 /nfs/dbraw/zinc/04/21/22/651042122.db2.gz HFYDBDKCAPDUNZ-KBMXLJTQSA-N 2 1 266.429 2.406 20 0 CEADMP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000767408733 645986619 /nfs/dbraw/zinc/98/66/19/645986619.db2.gz DIVVLXXFQDBIIG-AWEZNQCLSA-N 2 1 264.413 2.163 20 0 CEADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000767408733 645986620 /nfs/dbraw/zinc/98/66/20/645986620.db2.gz DIVVLXXFQDBIIG-AWEZNQCLSA-N 2 1 264.413 2.163 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000769514360 646280299 /nfs/dbraw/zinc/28/02/99/646280299.db2.gz JTOINWLABJCVEZ-OAHLLOKOSA-N 2 1 266.385 2.212 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N(CC)C1CC[NH+](C)CC1 ZINC000861895043 646295851 /nfs/dbraw/zinc/29/58/51/646295851.db2.gz OQPAEVWGECRQDG-UHFFFAOYSA-N 2 1 297.487 2.441 20 0 CEADMP CO[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(F)(F)F ZINC000774376420 646839731 /nfs/dbraw/zinc/83/97/31/646839731.db2.gz XUJWFKPEQXYXOQ-YATPEIPISA-N 2 1 280.334 2.169 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCCNC(=[NH2+])NCCC2CC2)C1 ZINC000864451721 647007823 /nfs/dbraw/zinc/00/78/23/647007823.db2.gz JHDHXCMPKFABMS-AWEZNQCLSA-N 2 1 280.460 2.413 20 0 CEADMP C[C@@H](CNC(=[NH2+])NCCC1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000864452807 647009332 /nfs/dbraw/zinc/00/93/32/647009332.db2.gz JVZIZNBEXZPEMS-OLZOCXBDSA-N 2 1 266.433 2.021 20 0 CEADMP C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000864453383 647009540 /nfs/dbraw/zinc/00/95/40/647009540.db2.gz ZHWHHNDPNZUWRC-AGIUHOORSA-N 2 1 292.452 2.407 20 0 CEADMP CC[C@@H]1CCN(C(=[NH2+])NCC[N@@H+](C)C2CCCC2)C1 ZINC000864458494 647013246 /nfs/dbraw/zinc/01/32/46/647013246.db2.gz MBPJLUSVQLERCJ-CYBMUJFWSA-N 2 1 266.433 2.117 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000776256269 647043181 /nfs/dbraw/zinc/04/31/81/647043181.db2.gz CVXDNVLZMBBLKV-UHFFFAOYSA-N 2 1 251.761 2.087 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](Cn2cnnc2)CC1)CC1CC1 ZINC000776764394 647088518 /nfs/dbraw/zinc/08/85/18/647088518.db2.gz YPJQZUXBJBRRCF-UHFFFAOYSA-N 2 1 291.443 2.070 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(F)ccc1N(C)C ZINC000865439093 647293421 /nfs/dbraw/zinc/29/34/21/647293421.db2.gz NZKURVFRAGOIPU-UHFFFAOYSA-N 2 1 276.359 2.186 20 0 CEADMP C[C@@H](CCO)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000779342074 647314444 /nfs/dbraw/zinc/31/44/44/647314444.db2.gz SNEXMPUSSSIVNS-GOEBONIOSA-N 2 1 268.445 2.392 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CCO)cc1F ZINC000779341217 647314745 /nfs/dbraw/zinc/31/47/45/647314745.db2.gz MWMBUYBEEGXNMP-LLVKDONJSA-N 2 1 277.343 2.180 20 0 CEADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CCO)c1 ZINC000779395228 647318101 /nfs/dbraw/zinc/31/81/01/647318101.db2.gz MQFONXIJXWDREZ-AWEZNQCLSA-N 2 1 264.413 2.387 20 0 CEADMP C[C@@H](CCO)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000779400210 647319358 /nfs/dbraw/zinc/31/93/58/647319358.db2.gz QZLIMRPXRXFRHM-GJZGRUSLSA-N 2 1 264.413 2.258 20 0 CEADMP CCCNc1cc(NC[C@@H](C2CC2)[NH+](C)C)nc[nH+]1 ZINC000865511984 647333809 /nfs/dbraw/zinc/33/38/09/647333809.db2.gz MJCPSVNCJNQVOQ-LBPRGKRZSA-N 2 1 263.389 2.051 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc3c(cc[nH]c3=O)o2)C1 ZINC000865600286 647379671 /nfs/dbraw/zinc/37/96/71/647379671.db2.gz JAWDNUWWCQJZCG-GFCCVEGCSA-N 2 1 289.379 2.355 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865638195 647400419 /nfs/dbraw/zinc/40/04/19/647400419.db2.gz YCRFOIQFCSTDMK-UHFFFAOYSA-N 2 1 299.296 2.493 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000865784310 647463017 /nfs/dbraw/zinc/46/30/17/647463017.db2.gz ZAGHZPFWXPGPBW-NXOAAHMSSA-N 2 1 278.440 2.266 20 0 CEADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000865875457 647517540 /nfs/dbraw/zinc/51/75/40/647517540.db2.gz PDPUDKHRQQTDOS-OWCLPIDISA-N 2 1 266.429 2.144 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1C ZINC000782194452 647598961 /nfs/dbraw/zinc/59/89/61/647598961.db2.gz YPWLDCDWPLOTLN-BBRMVZONSA-N 2 1 291.439 2.479 20 0 CEADMP COc1c(C)c[nH+]c(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1C ZINC000782194452 647598963 /nfs/dbraw/zinc/59/89/63/647598963.db2.gz YPWLDCDWPLOTLN-BBRMVZONSA-N 2 1 291.439 2.479 20 0 CEADMP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000866487634 647803189 /nfs/dbraw/zinc/80/31/89/647803189.db2.gz DCGPEWUNGUWOEW-DHGKCCLASA-N 2 1 254.443 2.343 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](O)C2CCCC2)[C@@H](C)C1 ZINC000866636304 647850082 /nfs/dbraw/zinc/85/00/82/647850082.db2.gz JGCCPNNQEFARFU-BPUTZDHNSA-N 2 1 268.445 2.248 20 0 CEADMP Cc1cccc([C@H]2CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)c1 ZINC000784476791 647854311 /nfs/dbraw/zinc/85/43/11/647854311.db2.gz CGGXFOFJTHCNBF-ROUUACIJSA-N 2 1 288.435 2.241 20 0 CEADMP C[C@H]1CCCC[C@@H]1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000784534851 647859405 /nfs/dbraw/zinc/85/94/05/647859405.db2.gz PJJOOTYETOCDFJ-DLBZAZTESA-N 2 1 281.488 2.430 20 0 CEADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709944 647879014 /nfs/dbraw/zinc/87/90/14/647879014.db2.gz UFDCFNFKZAWWRQ-KCQAQPDRSA-N 2 1 254.418 2.108 20 0 CEADMP COc1ccc([C@@H]2COCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000866718789 647881108 /nfs/dbraw/zinc/88/11/08/647881108.db2.gz NSQLLOCHEFNAAN-YOEHRIQHSA-N 2 1 290.407 2.068 20 0 CEADMP CCOC(CC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)OCC ZINC000786970692 648061749 /nfs/dbraw/zinc/06/17/49/648061749.db2.gz MRRCYQSVAKGMKZ-KGLIPLIRSA-N 2 1 272.433 2.096 20 0 CEADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000930282840 648115526 /nfs/dbraw/zinc/11/55/26/648115526.db2.gz PRJGULKDYRTAMT-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CC3(CCC3)C(=O)O2)C[C@@H]1C ZINC000792237006 648629723 /nfs/dbraw/zinc/62/97/23/648629723.db2.gz QMRPJFYOOOJZGV-SOUVJXGZSA-N 2 1 294.439 2.277 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC3(CCC3)C(=O)O2)C[C@@H]1C ZINC000792237006 648629725 /nfs/dbraw/zinc/62/97/25/648629725.db2.gz QMRPJFYOOOJZGV-SOUVJXGZSA-N 2 1 294.439 2.277 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)C[C@@H]1C ZINC000792237006 648629728 /nfs/dbraw/zinc/62/97/28/648629728.db2.gz QMRPJFYOOOJZGV-SOUVJXGZSA-N 2 1 294.439 2.277 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)C[C@@H]1C ZINC000792237006 648629731 /nfs/dbraw/zinc/62/97/31/648629731.db2.gz QMRPJFYOOOJZGV-SOUVJXGZSA-N 2 1 294.439 2.277 20 0 CEADMP CC(C)[C@H](C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784778 649184199 /nfs/dbraw/zinc/18/41/99/649184199.db2.gz LDIGYCQKBMBKJM-WODVXLOZSA-N 2 1 253.390 2.402 20 0 CEADMP CC(C)[C@H](C)O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784778 649184202 /nfs/dbraw/zinc/18/42/02/649184202.db2.gz LDIGYCQKBMBKJM-WODVXLOZSA-N 2 1 253.390 2.402 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000019258217 649211319 /nfs/dbraw/zinc/21/13/19/649211319.db2.gz QWXNEKDDGDJYRB-UHFFFAOYSA-N 2 1 272.352 2.069 20 0 CEADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCOC1 ZINC000872053917 649256720 /nfs/dbraw/zinc/25/67/20/649256720.db2.gz NRQOIYHQYRHKGB-GJZGRUSLSA-N 2 1 252.402 2.043 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872106120 649278566 /nfs/dbraw/zinc/27/85/66/649278566.db2.gz DYPZKIFOSCTQKF-UHOFOFEASA-N 2 1 264.413 2.160 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1(C)C ZINC000872108514 649280426 /nfs/dbraw/zinc/28/04/26/649280426.db2.gz VAZMRDWSKMPRFT-ZQDZILKHSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)[C@H]2CCC[C@H]21 ZINC000872108820 649280459 /nfs/dbraw/zinc/28/04/59/649280459.db2.gz XUHXFHVKSJUQDH-NYXISSTPSA-N 2 1 278.440 2.406 20 0 CEADMP CC1(C)CO[C@H](C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000872143164 649292270 /nfs/dbraw/zinc/29/22/70/649292270.db2.gz MVXPSEZECUIWCO-ZNMIVQPWSA-N 2 1 266.429 2.123 20 0 CEADMP C([C@@H]1CC2(CCC2)CO1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000872143580 649293179 /nfs/dbraw/zinc/29/31/79/649293179.db2.gz SZCJIDSCNURJMI-JYJNAYRXSA-N 2 1 278.440 2.267 20 0 CEADMP [NH3+]C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)C1CCCCC1 ZINC000872145033 649295364 /nfs/dbraw/zinc/29/53/64/649295364.db2.gz MSAFKGDFTARFBC-JKSUJKDBSA-N 2 1 296.455 2.069 20 0 CEADMP C[C@@H](c1nc(C2CC2)no1)[N@H+](C)CCCCCC[NH3+] ZINC000872154964 649298727 /nfs/dbraw/zinc/29/87/27/649298727.db2.gz HPBDXEHWPNSOCX-NSHDSACASA-N 2 1 266.389 2.459 20 0 CEADMP C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)CCCCCC[NH3+] ZINC000872154964 649298732 /nfs/dbraw/zinc/29/87/32/649298732.db2.gz HPBDXEHWPNSOCX-NSHDSACASA-N 2 1 266.389 2.459 20 0 CEADMP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCCCC[NH3+] ZINC000872154970 649298848 /nfs/dbraw/zinc/29/88/48/649298848.db2.gz HTKNQKHNNWHALO-MRXNPFEDSA-N 2 1 291.439 2.267 20 0 CEADMP Cc1noc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156287 649299001 /nfs/dbraw/zinc/29/90/01/649299001.db2.gz HLAPFYZFLDXKIQ-UKRRQHHQSA-N 2 1 292.427 2.498 20 0 CEADMP Cc1noc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156287 649299007 /nfs/dbraw/zinc/29/90/07/649299007.db2.gz HLAPFYZFLDXKIQ-UKRRQHHQSA-N 2 1 292.427 2.498 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000872155762 649299341 /nfs/dbraw/zinc/29/93/41/649299341.db2.gz YWZDNCNJKJRKTJ-SECBINFHSA-N 2 1 261.291 2.361 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CC(=O)Nc1ccc(Cl)nc1 ZINC000872155738 649299664 /nfs/dbraw/zinc/29/96/64/649299664.db2.gz VMRRGHJUOGQPMT-UHFFFAOYSA-N 2 1 298.818 2.124 20 0 CEADMP CN(C)C(=O)CC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158650 649300450 /nfs/dbraw/zinc/30/04/50/649300450.db2.gz WRIXPKDVRDYVOI-GOEBONIOSA-N 2 1 295.471 2.084 20 0 CEADMP C[N@H+](CCCCCC[NH3+])Cc1nc(C2CCC2)no1 ZINC000872157457 649300516 /nfs/dbraw/zinc/30/05/16/649300516.db2.gz OROSALWHJWFCPU-UHFFFAOYSA-N 2 1 266.389 2.288 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1nc(C2CCC2)no1 ZINC000872157457 649300517 /nfs/dbraw/zinc/30/05/17/649300517.db2.gz OROSALWHJWFCPU-UHFFFAOYSA-N 2 1 266.389 2.288 20 0 CEADMP C[C@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000872276882 649339910 /nfs/dbraw/zinc/33/99/10/649339910.db2.gz SVMCNWHZDKQYJV-JJXSEGSLSA-N 2 1 295.471 2.273 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872279903 649341262 /nfs/dbraw/zinc/34/12/62/649341262.db2.gz MJLQJVFBTVWGLT-JJXSEGSLSA-N 2 1 295.471 2.131 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873156992 649574533 /nfs/dbraw/zinc/57/45/33/649574533.db2.gz PPLYAJYZDDNEFK-INWMFGNUSA-N 2 1 275.396 2.195 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873156991 649574619 /nfs/dbraw/zinc/57/46/19/649574619.db2.gz PPLYAJYZDDNEFK-DUVNUKRYSA-N 2 1 275.396 2.195 20 0 CEADMP c1c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)sc2c1C[NH2+]CC2 ZINC000873207357 649589887 /nfs/dbraw/zinc/58/98/87/649589887.db2.gz AISIRPTUWNPDBB-IUODEOHRSA-N 2 1 292.448 2.395 20 0 CEADMP c1c(C[N@H+]2CCC[C@H]3COCC[C@H]32)sc2c1C[NH2+]CC2 ZINC000873207358 649590066 /nfs/dbraw/zinc/59/00/66/649590066.db2.gz AISIRPTUWNPDBB-SWLSCSKDSA-N 2 1 292.448 2.395 20 0 CEADMP Cc1c(C[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cnn1C ZINC000873210479 649590858 /nfs/dbraw/zinc/59/08/58/649590858.db2.gz HRHMJPBGJUHTQS-UHFFFAOYSA-N 2 1 290.436 2.068 20 0 CEADMP Cc1c(C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cnn1C ZINC000873210479 649590862 /nfs/dbraw/zinc/59/08/62/649590862.db2.gz HRHMJPBGJUHTQS-UHFFFAOYSA-N 2 1 290.436 2.068 20 0 CEADMP CCn1cc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000873223058 649596504 /nfs/dbraw/zinc/59/65/04/649596504.db2.gz HIUATAAAUQJSTE-OAHLLOKOSA-N 2 1 264.417 2.100 20 0 CEADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@]1(C)CC[NH2+]C1 ZINC000873224180 649597962 /nfs/dbraw/zinc/59/79/62/649597962.db2.gz ZAOQPPQHWMBEKC-QGZVFWFLSA-N 3 1 281.488 2.286 20 0 CEADMP c1cc(CCC[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc2c1OCC2 ZINC000873231087 649602359 /nfs/dbraw/zinc/60/23/59/649602359.db2.gz GZVCBAUYEFPSOX-ROUUACIJSA-N 2 1 286.419 2.428 20 0 CEADMP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCCC[C@@H]2N)CC1 ZINC000873248542 649608890 /nfs/dbraw/zinc/60/88/90/649608890.db2.gz GEDDUCSZHKRIIW-PWUWZPNHSA-N 2 1 267.461 2.499 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CCCOC(F)(F)F)CC2 ZINC000878340553 651072590 /nfs/dbraw/zinc/07/25/90/651072590.db2.gz WJERJOPQJOWBEI-UHFFFAOYSA-N 2 1 280.334 2.473 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CCCOC(F)(F)F)CC2 ZINC000878340553 651072592 /nfs/dbraw/zinc/07/25/92/651072592.db2.gz WJERJOPQJOWBEI-UHFFFAOYSA-N 2 1 280.334 2.473 20 0 CEADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000878512096 651117157 /nfs/dbraw/zinc/11/71/57/651117157.db2.gz LAXXKZAGYKHORU-HZPDHXFCSA-N 2 1 296.455 2.131 20 0 CEADMP C[C@@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C(C)(C)C ZINC000878517858 651119026 /nfs/dbraw/zinc/11/90/26/651119026.db2.gz NWIYOYVVGPMWFY-LBPRGKRZSA-N 2 1 250.390 2.214 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCC(C)(C)CO3)C2)C1 ZINC000878645025 651150003 /nfs/dbraw/zinc/15/00/03/651150003.db2.gz GCWFDZJNTPVAPX-GOEBONIOSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CCC(C)(C)CO3)C2)C1 ZINC000878645025 651150006 /nfs/dbraw/zinc/15/00/06/651150006.db2.gz GCWFDZJNTPVAPX-GOEBONIOSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CCC(C)(C)CO3)C2)C1 ZINC000878645025 651150007 /nfs/dbraw/zinc/15/00/07/651150007.db2.gz GCWFDZJNTPVAPX-GOEBONIOSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCCC(C)(C)O3)C2)C1 ZINC000878646327 651150859 /nfs/dbraw/zinc/15/08/59/651150859.db2.gz ZKHVXWPXVWBQBS-GDBMZVCRSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CCCC(C)(C)O3)C2)C1 ZINC000878646327 651150862 /nfs/dbraw/zinc/15/08/62/651150862.db2.gz ZKHVXWPXVWBQBS-GDBMZVCRSA-N 2 1 266.429 2.362 20 0 CEADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CCCC(C)(C)O3)C2)C1 ZINC000878646327 651150865 /nfs/dbraw/zinc/15/08/65/651150865.db2.gz ZKHVXWPXVWBQBS-GDBMZVCRSA-N 2 1 266.429 2.362 20 0 CEADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)C2)C1 ZINC000878652384 651153347 /nfs/dbraw/zinc/15/33/47/651153347.db2.gz OXWOKKYYBPLJJK-QAETUUGQSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)C2)C1 ZINC000878652384 651153349 /nfs/dbraw/zinc/15/33/49/651153349.db2.gz OXWOKKYYBPLJJK-QAETUUGQSA-N 2 1 278.440 2.362 20 0 CEADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)C2)C1 ZINC000878652384 651153350 /nfs/dbraw/zinc/15/33/50/651153350.db2.gz OXWOKKYYBPLJJK-QAETUUGQSA-N 2 1 278.440 2.362 20 0 CEADMP CCc1nnc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)s1 ZINC000879249816 651270173 /nfs/dbraw/zinc/27/01/73/651270173.db2.gz CBRCVNYENJACFA-UHFFFAOYSA-N 2 1 294.468 2.408 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879408906 651298629 /nfs/dbraw/zinc/29/86/29/651298629.db2.gz XMSUZYGUXPAKMR-CQSZACIVSA-N 2 1 265.401 2.290 20 0 CEADMP COC(=O)C[C@](C)([NH2+]CCCCn1cc[nH+]c1C)C1CC1 ZINC000879442044 651304533 /nfs/dbraw/zinc/30/45/33/651304533.db2.gz MHYXLKMDXJFNBZ-INIZCTEOSA-N 2 1 293.411 2.293 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000879572737 651324093 /nfs/dbraw/zinc/32/40/93/651324093.db2.gz QOMXUEWLSZHOLU-ZBFHGGJFSA-N 2 1 287.407 2.041 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000879572737 651324094 /nfs/dbraw/zinc/32/40/94/651324094.db2.gz QOMXUEWLSZHOLU-ZBFHGGJFSA-N 2 1 287.407 2.041 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000879572737 651324095 /nfs/dbraw/zinc/32/40/95/651324095.db2.gz QOMXUEWLSZHOLU-ZBFHGGJFSA-N 2 1 287.407 2.041 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000879572737 651324096 /nfs/dbraw/zinc/32/40/96/651324096.db2.gz QOMXUEWLSZHOLU-ZBFHGGJFSA-N 2 1 287.407 2.041 20 0 CEADMP C[N@H+]1CC[C@H]2CN(CCC(=O)C(C)(C)C)CC[C@H]21 ZINC000879580766 651326346 /nfs/dbraw/zinc/32/63/46/651326346.db2.gz KICVKZCNHDVSFN-QWHCGFSZSA-N 2 1 252.402 2.018 20 0 CEADMP CN1CC[C@H]2C[N@H+](CCC(=O)C(C)(C)C)CC[C@H]21 ZINC000879580766 651326348 /nfs/dbraw/zinc/32/63/48/651326348.db2.gz KICVKZCNHDVSFN-QWHCGFSZSA-N 2 1 252.402 2.018 20 0 CEADMP CN1CC[C@H]2C[N@@H+](CCC(=O)C(C)(C)C)CC[C@H]21 ZINC000879580766 651326351 /nfs/dbraw/zinc/32/63/51/651326351.db2.gz KICVKZCNHDVSFN-QWHCGFSZSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)C[N@@H+](CC[C@H](C)O)CC1CC[NH+](C)CC1 ZINC000879703851 651341536 /nfs/dbraw/zinc/34/15/36/651341536.db2.gz ZKZIUOIXSPXNOR-AWEZNQCLSA-N 2 1 256.434 2.057 20 0 CEADMP COC(=O)CCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702316 651341632 /nfs/dbraw/zinc/34/16/32/651341632.db2.gz JZQMUKXVMIJUGZ-UHFFFAOYSA-N 2 1 284.444 2.239 20 0 CEADMP C(C1CCC1)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880201474 651400514 /nfs/dbraw/zinc/40/05/14/651400514.db2.gz MRDDRKVYESVTFB-OAHLLOKOSA-N 2 1 252.402 2.020 20 0 CEADMP C(C1CCC1)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880201474 651400515 /nfs/dbraw/zinc/40/05/15/651400515.db2.gz MRDDRKVYESVTFB-OAHLLOKOSA-N 2 1 252.402 2.020 20 0 CEADMP COc1cncc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC000880258654 651411153 /nfs/dbraw/zinc/41/11/53/651411153.db2.gz BWOFWADJKQQRQP-CQSZACIVSA-N 2 1 298.390 2.196 20 0 CEADMP COc1cncc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC000880258654 651411155 /nfs/dbraw/zinc/41/11/55/651411155.db2.gz BWOFWADJKQQRQP-CQSZACIVSA-N 2 1 298.390 2.196 20 0 CEADMP C[C@H]1C[N@@H+](C[C@H](O)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880259579 651411535 /nfs/dbraw/zinc/41/15/35/651411535.db2.gz WLCDSWAMLKXZRM-YJBOKZPZSA-N 2 1 297.402 2.326 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CCO1 ZINC000880259896 651412314 /nfs/dbraw/zinc/41/23/14/651412314.db2.gz KVYFFHMDAZYFQY-XHSDSOJGSA-N 2 1 289.423 2.407 20 0 CEADMP CC1(C)CO[C@H](C[NH+]2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000880476224 651447479 /nfs/dbraw/zinc/44/74/79/651447479.db2.gz RFIRAGLDEFNCDK-AWEZNQCLSA-N 2 1 266.429 2.362 20 0 CEADMP OC[C@@H]1C=CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000880492361 651450158 /nfs/dbraw/zinc/45/01/58/651450158.db2.gz QNEORVHQVNGUBH-SFHVURJKSA-N 2 1 286.419 2.405 20 0 CEADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3oc(=O)oc3c2)CC1 ZINC000882880655 652246534 /nfs/dbraw/zinc/24/65/34/652246534.db2.gz CLLSENAMHBVHJZ-UHFFFAOYSA-N 2 1 290.363 2.348 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000882923292 652270586 /nfs/dbraw/zinc/27/05/86/652270586.db2.gz AUJIVUPADHMALZ-FOLVSLTJSA-N 2 1 266.429 2.266 20 0 CEADMP C[C@H](CC1CCC1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000130646610 652305892 /nfs/dbraw/zinc/30/58/92/652305892.db2.gz SILOLFPSAAWJLM-YUELXQCFSA-N 2 1 252.402 2.018 20 0 CEADMP C[C@H](CC1CCC1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000130646610 652305895 /nfs/dbraw/zinc/30/58/95/652305895.db2.gz SILOLFPSAAWJLM-YUELXQCFSA-N 2 1 252.402 2.018 20 0 CEADMP COC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCCOC1 ZINC000883167267 652386424 /nfs/dbraw/zinc/38/64/24/652386424.db2.gz UGBNPIZNRFESQA-ZACQAIPSSA-N 2 1 298.471 2.282 20 0 CEADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCC3(CC3)C2)CC1(C)C ZINC000883220399 652404226 /nfs/dbraw/zinc/40/42/26/652404226.db2.gz JEPOAEGGCJLAPJ-OAHLLOKOSA-N 2 1 279.472 2.325 20 0 CEADMP C=C/C=C\CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000883268149 652418649 /nfs/dbraw/zinc/41/86/49/652418649.db2.gz DELWNAFZOOZARA-MJSXRHKHSA-N 2 1 264.413 2.352 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC3(CCC3)O2)[C@@H](C)C1 ZINC000883356304 652440355 /nfs/dbraw/zinc/44/03/55/652440355.db2.gz KPWFSPIZZNLAIV-ZNMIVQPWSA-N 2 1 266.429 2.408 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@]23CCCO3)CC1 ZINC000883364219 652445210 /nfs/dbraw/zinc/44/52/10/652445210.db2.gz ASQYQHHBVRBZJZ-CABCVRRESA-N 2 1 252.402 2.162 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000883416454 652461970 /nfs/dbraw/zinc/46/19/70/652461970.db2.gz VJAVYZFBJDCUGL-NSHDSACASA-N 2 1 284.306 2.179 20 0 CEADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000883416454 652461972 /nfs/dbraw/zinc/46/19/72/652461972.db2.gz VJAVYZFBJDCUGL-NSHDSACASA-N 2 1 284.306 2.179 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCC2(CCOCC2)O1 ZINC000883418940 652462834 /nfs/dbraw/zinc/46/28/34/652462834.db2.gz WICPDLLUFOIYGQ-GJZGRUSLSA-N 2 1 284.444 2.020 20 0 CEADMP C[N@@H+](C[C@H]1CCC2(CCOCC2)O1)C1(C[NH3+])CCCCC1 ZINC000883455217 652476251 /nfs/dbraw/zinc/47/62/51/652476251.db2.gz XLNYTKKFNHZVBQ-OAHLLOKOSA-N 2 1 296.455 2.308 20 0 CEADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000884188228 652745795 /nfs/dbraw/zinc/74/57/95/652745795.db2.gz BYCCLMOGYQAICO-ILXRZTDVSA-N 2 1 297.487 2.233 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884220897 652756980 /nfs/dbraw/zinc/75/69/80/652756980.db2.gz DWXLYSVCFSGJLN-GJZGRUSLSA-N 2 1 297.487 2.377 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)cc(OC)c2OC)C1 ZINC000885924675 653069831 /nfs/dbraw/zinc/06/98/31/653069831.db2.gz UMBILSOERCSBEM-CQSZACIVSA-N 2 1 292.423 2.444 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)cc(OC)c2OC)C1 ZINC000885924675 653069832 /nfs/dbraw/zinc/06/98/32/653069832.db2.gz UMBILSOERCSBEM-CQSZACIVSA-N 2 1 292.423 2.444 20 0 CEADMP Cc1cc2[nH]ccc2c(N2C[C@@H](C)[N@H+](C)C[C@H]2C)[nH+]1 ZINC001164633698 719209051 /nfs/dbraw/zinc/20/90/51/719209051.db2.gz FEVOGNZGPSBYFJ-VXGBXAGGSA-N 2 1 258.369 2.400 20 0 CEADMP COC[C@H]1CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001486 805634056 /nfs/dbraw/zinc/63/40/56/805634056.db2.gz CDIUOKPTHNVHSG-IUOOZAAYSA-N 2 1 264.413 2.113 20 0 CEADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3OC)C[C@@H]2C1 ZINC001203438369 805663527 /nfs/dbraw/zinc/66/35/27/805663527.db2.gz BLWZJWUBJJWWLT-IYBDPMFKSA-N 2 1 274.408 2.469 20 0 CEADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3OC)C[C@@H]2C1 ZINC001203438369 805663533 /nfs/dbraw/zinc/66/35/33/805663533.db2.gz BLWZJWUBJJWWLT-IYBDPMFKSA-N 2 1 274.408 2.469 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3OC)C[C@@H]2C1 ZINC001203438369 805663538 /nfs/dbraw/zinc/66/35/38/805663538.db2.gz BLWZJWUBJJWWLT-IYBDPMFKSA-N 2 1 274.408 2.469 20 0 CEADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3OC)C[C@@H]2C1 ZINC001203438369 805663541 /nfs/dbraw/zinc/66/35/41/805663541.db2.gz BLWZJWUBJJWWLT-IYBDPMFKSA-N 2 1 274.408 2.469 20 0 CEADMP COC[C@H]1CCCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000696645127 805748981 /nfs/dbraw/zinc/74/89/81/805748981.db2.gz IBJCDPBZTCECLI-GJZGRUSLSA-N 2 1 254.418 2.125 20 0 CEADMP c1ccc2c(c1)C[N@H+](C[C@@H]1CCCC[NH2+]C1)CCO2 ZINC000696996845 806069490 /nfs/dbraw/zinc/06/94/90/806069490.db2.gz FVJBRTSZEMEGPM-CQSZACIVSA-N 2 1 260.381 2.271 20 0 CEADMP c1ccc2c(c1)C[N@@H+](C[C@@H]1CCCC[NH2+]C1)CCO2 ZINC000696996845 806069499 /nfs/dbraw/zinc/06/94/99/806069499.db2.gz FVJBRTSZEMEGPM-CQSZACIVSA-N 2 1 260.381 2.271 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001168084700 806099384 /nfs/dbraw/zinc/09/93/84/806099384.db2.gz UOPKQQQVZOVUEJ-LXFSFDBISA-N 2 1 252.402 2.159 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001168084700 806099388 /nfs/dbraw/zinc/09/93/88/806099388.db2.gz UOPKQQQVZOVUEJ-LXFSFDBISA-N 2 1 252.402 2.159 20 0 CEADMP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001088327860 806121510 /nfs/dbraw/zinc/12/15/10/806121510.db2.gz YWNGGJJTZHADDM-OAHLLOKOSA-N 2 1 295.471 2.240 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)CCO1 ZINC001168131234 806255651 /nfs/dbraw/zinc/25/56/51/806255651.db2.gz MHMACULFBQYPOP-RHSMWYFYSA-N 2 1 296.455 2.129 20 0 CEADMP C[C@@H]1C[C@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)CCO1 ZINC001168136463 806268081 /nfs/dbraw/zinc/26/80/81/806268081.db2.gz JYIUWRDYCVOFSU-IUODEOHRSA-N 2 1 252.402 2.113 20 0 CEADMP COc1ccc2c(c1)C[C@@H]([N@@H+](C)CCC[NH+](C)C)C2 ZINC001168259103 806449333 /nfs/dbraw/zinc/44/93/33/806449333.db2.gz JEAKJQQYDOUZLD-HNNXBMFYSA-N 2 1 262.397 2.046 20 0 CEADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC(C)(C)O ZINC000093436880 806490883 /nfs/dbraw/zinc/49/08/83/806490883.db2.gz FSCBZUQXNUYMON-UHFFFAOYSA-N 2 1 294.439 2.220 20 0 CEADMP C[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)CCC[C@]1(C)O ZINC001168313992 806645568 /nfs/dbraw/zinc/64/55/68/806645568.db2.gz HYUSMICJXDXCIX-LMPOIIKSSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C)C1CCC([N@@H+]2Cc3ccccc3C[C@@H]2CN)CC1 ZINC001168312355 806645587 /nfs/dbraw/zinc/64/55/87/806645587.db2.gz RKPDGKJGYGWWLB-DAWZGUTISA-N 2 1 287.451 2.245 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2Cc3ccccc3C[C@@H]2CN)CC1 ZINC001168312355 806645588 /nfs/dbraw/zinc/64/55/88/806645588.db2.gz RKPDGKJGYGWWLB-DAWZGUTISA-N 2 1 287.451 2.245 20 0 CEADMP C[NH+](C)C1CCC([N@@H+](C)CC2CCOCC2)CC1 ZINC001168315034 806648527 /nfs/dbraw/zinc/64/85/27/806648527.db2.gz PRIYGJZPYLELJS-UHFFFAOYSA-N 2 1 254.418 2.218 20 0 CEADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@](C)(CO)CC2)CC1 ZINC001168315506 806648724 /nfs/dbraw/zinc/64/87/24/806648724.db2.gz WZFCTFWLZWDXEU-UYSNPLJNSA-N 2 1 268.445 2.344 20 0 CEADMP CCO[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)[C@@H]2CCCO[C@H]12 ZINC001168319127 806651427 /nfs/dbraw/zinc/65/14/27/806651427.db2.gz OZTOTSVMANGENE-YWWDTZIBSA-N 2 1 296.455 2.128 20 0 CEADMP CO[C@H]1CC[N@H+](C2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC001168329782 806659533 /nfs/dbraw/zinc/65/95/33/806659533.db2.gz IGPILHDXJFPQQR-PPWQZUPISA-N 2 1 254.418 2.359 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001142590571 806744343 /nfs/dbraw/zinc/74/43/43/806744343.db2.gz GPBRPCVLYCQSPJ-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001142590571 806744348 /nfs/dbraw/zinc/74/43/48/806744348.db2.gz GPBRPCVLYCQSPJ-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001142590571 806744352 /nfs/dbraw/zinc/74/43/52/806744352.db2.gz GPBRPCVLYCQSPJ-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H](CC[NH2+]Cc1cnn(Cc2ccccc2)c1)[NH+](C)C ZINC000697937473 806790166 /nfs/dbraw/zinc/79/01/66/806790166.db2.gz SRGGOOUGVVUZOA-HNNXBMFYSA-N 2 1 286.423 2.361 20 0 CEADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000081292798 806810019 /nfs/dbraw/zinc/81/00/19/806810019.db2.gz BCAIXHMISNBBPA-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000081292798 806810025 /nfs/dbraw/zinc/81/00/25/806810025.db2.gz BCAIXHMISNBBPA-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000081292798 806810035 /nfs/dbraw/zinc/81/00/35/806810035.db2.gz BCAIXHMISNBBPA-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@]1(CO)CCC[N@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168373456 806972783 /nfs/dbraw/zinc/97/27/83/806972783.db2.gz SCJGUHRCDQGUBI-KRWDZBQOSA-N 2 1 280.456 2.345 20 0 CEADMP CCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266246855 802316140 /nfs/dbraw/zinc/31/61/40/802316140.db2.gz XSNYYNSXYZOOSR-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001266251821 802319819 /nfs/dbraw/zinc/31/98/19/802319819.db2.gz HBPKKGUZHQCFRT-MRXNPFEDSA-N 2 1 295.471 2.243 20 0 CEADMP CC[N@@H+](CCCC(=O)OC)CC1(C[NH+](C)C)CCCC1 ZINC001208183356 802376729 /nfs/dbraw/zinc/37/67/29/802376729.db2.gz BEMQCRBIXCGNBB-UHFFFAOYSA-N 2 1 284.444 2.384 20 0 CEADMP COCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209055354 802465024 /nfs/dbraw/zinc/46/50/24/802465024.db2.gz WXOKJNCZIDIVNQ-ROUUACIJSA-N 2 1 288.435 2.477 20 0 CEADMP COCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209055354 802465028 /nfs/dbraw/zinc/46/50/28/802465028.db2.gz WXOKJNCZIDIVNQ-ROUUACIJSA-N 2 1 288.435 2.477 20 0 CEADMP COCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209055354 802465032 /nfs/dbraw/zinc/46/50/32/802465032.db2.gz WXOKJNCZIDIVNQ-ROUUACIJSA-N 2 1 288.435 2.477 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])Cc1nc(-c2ccco2)no1 ZINC000710843553 809996336 /nfs/dbraw/zinc/99/63/36/809996336.db2.gz WOGZQTOUGNUBRT-UHFFFAOYSA-N 2 1 278.356 2.281 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)CC[N@H+]1C ZINC000721449178 802795830 /nfs/dbraw/zinc/79/58/30/802795830.db2.gz ZZNMHJGGEJSKJQ-WISYIIOYSA-N 2 1 280.334 2.169 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)C[C@H]1C[NH3+] ZINC000721472392 802845508 /nfs/dbraw/zinc/84/55/08/802845508.db2.gz DBMIQLMDCIRFKJ-RXGFPQBGSA-N 2 1 294.361 2.402 20 0 CEADMP CC/C=C/CC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203203861 802883718 /nfs/dbraw/zinc/88/37/18/802883718.db2.gz SXONSVADNMNQIO-VOTSOKGWSA-N 2 1 295.471 2.265 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000723609388 802902836 /nfs/dbraw/zinc/90/28/36/802902836.db2.gz MMHCENYZMJKSQP-QKPAOTATSA-N 2 1 266.429 2.123 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC[N@@H+]1C ZINC000723611904 802903724 /nfs/dbraw/zinc/90/37/24/802903724.db2.gz ZEAWRHDTPRVBTI-YIDVYQOGSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC[N@H+]1C ZINC000723611904 802903727 /nfs/dbraw/zinc/90/37/27/802903727.db2.gz ZEAWRHDTPRVBTI-YIDVYQOGSA-N 2 1 266.429 2.264 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000723687668 802924459 /nfs/dbraw/zinc/92/44/59/802924459.db2.gz XQYSPIJICYOEPH-OAHLLOKOSA-N 2 1 270.380 2.043 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000723686854 802924732 /nfs/dbraw/zinc/92/47/32/802924732.db2.gz PYINYKNYHFWYFY-OAHLLOKOSA-N 2 1 270.380 2.043 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000723680608 802925025 /nfs/dbraw/zinc/92/50/25/802925025.db2.gz XEMUKNWFWXEXGA-LLVKDONJSA-N 2 1 270.323 2.459 20 0 CEADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000723698993 802925691 /nfs/dbraw/zinc/92/56/91/802925691.db2.gz LGAMVZPYTJQNIV-JTQLQIEISA-N 2 1 299.777 2.088 20 0 CEADMP Cc1cc(C)nc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000723845929 802947530 /nfs/dbraw/zinc/94/75/30/802947530.db2.gz LJGJPLUANDEBHV-MZBDJJRSSA-N 2 1 259.397 2.413 20 0 CEADMP Cc1cc(C)nc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000723845929 802947534 /nfs/dbraw/zinc/94/75/34/802947534.db2.gz LJGJPLUANDEBHV-MZBDJJRSSA-N 2 1 259.397 2.413 20 0 CEADMP C1CC1[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCOC1 ZINC000723979104 802984457 /nfs/dbraw/zinc/98/44/57/802984457.db2.gz VGQZMYGTYJOOFK-LTIDMASMSA-N 2 1 278.440 2.408 20 0 CEADMP FC(F)(F)[C@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCS1 ZINC000721486675 803028978 /nfs/dbraw/zinc/02/89/78/803028978.db2.gz NPKSTPCISWUQDA-WDEREUQCSA-N 2 1 282.375 2.356 20 0 CEADMP C[C@H]1CC[C@@H](N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[NH2+]1 ZINC000707885382 803079793 /nfs/dbraw/zinc/07/97/93/803079793.db2.gz QLVJKWXLJPKSQV-GDAAHCPNSA-N 2 1 299.462 2.191 20 0 CEADMP CCOC(=O)CCCCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC001167575698 803145397 /nfs/dbraw/zinc/14/53/97/803145397.db2.gz HCJNBPGWPMWRRI-OAHLLOKOSA-N 2 1 284.444 2.384 20 0 CEADMP CCOC(=O)CCCCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC001167575698 803145403 /nfs/dbraw/zinc/14/54/03/803145403.db2.gz HCJNBPGWPMWRRI-OAHLLOKOSA-N 2 1 284.444 2.384 20 0 CEADMP CCOC(=O)CCCCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC001167575698 803145406 /nfs/dbraw/zinc/14/54/06/803145406.db2.gz HCJNBPGWPMWRRI-OAHLLOKOSA-N 2 1 284.444 2.384 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ncccc2Br)C1 ZINC000690741224 803161078 /nfs/dbraw/zinc/16/10/78/803161078.db2.gz UPJDMGWDIXQFGF-SNVBAGLBSA-N 2 1 284.201 2.015 20 0 CEADMP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001267145641 803162950 /nfs/dbraw/zinc/16/29/50/803162950.db2.gz RXQRAJPWAJNFMT-HNNXBMFYSA-N 2 1 297.487 2.415 20 0 CEADMP C[N@H+]1CCCC[C@@H]1c1ccc(-n2cccc2C[NH3+])nc1 ZINC001167589522 803168661 /nfs/dbraw/zinc/16/86/61/803168661.db2.gz IITZCBUZVPSGPK-OAHLLOKOSA-N 2 1 270.380 2.488 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H](O)c2ccccc2)CC[N@H+]1C ZINC000721364720 803293785 /nfs/dbraw/zinc/29/37/85/803293785.db2.gz NUKVPOBNQBJARV-KBMXLJTQSA-N 2 1 262.397 2.182 20 0 CEADMP CCc1ccc(C[N@@H+](C)C2(C[NH3+])CCOCC2)cc1 ZINC000725054615 803414426 /nfs/dbraw/zinc/41/44/26/803414426.db2.gz GDRBVPMVQPGDKD-UHFFFAOYSA-N 2 1 262.397 2.189 20 0 CEADMP FC1(F)C[NH2+]CC[C@@H]1OCCCCC1CC[NH2+]CC1 ZINC001217780766 803436191 /nfs/dbraw/zinc/43/61/91/803436191.db2.gz GAJKFFNQXMUTFG-ZDUSSCGKSA-N 2 1 276.371 2.170 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)CC[C@H]1[NH3+] ZINC000693978909 803453128 /nfs/dbraw/zinc/45/31/28/803453128.db2.gz AQDILOOWHHFUOY-GXTWGEPZSA-N 2 1 258.369 2.122 20 0 CEADMP C[NH+](C)CC[C@H](O[C@@H]1C[NH2+]CC1(F)F)c1ccccc1 ZINC001217843820 803459787 /nfs/dbraw/zinc/45/97/87/803459787.db2.gz GVLKVNNMGPTKNC-UONOGXRCSA-N 2 1 284.350 2.303 20 0 CEADMP N=C(Nc1ccc(C2([NH3+])CCC2)cc1)SCC[NH3+] ZINC001167913393 803503875 /nfs/dbraw/zinc/50/38/75/803503875.db2.gz AKUMSPAEWUSUJY-UHFFFAOYSA-N 2 1 264.398 2.063 20 0 CEADMP COc1cc2[nH+]ccn2cc1-n1nc(C[NH3+])c2ccccc21 ZINC001167699825 803574655 /nfs/dbraw/zinc/57/46/55/803574655.db2.gz BUBCUJSDTSHREF-UHFFFAOYSA-N 2 1 293.330 2.141 20 0 CEADMP CCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267709187 803668675 /nfs/dbraw/zinc/66/86/75/803668675.db2.gz UOHHXKOYONHVOY-INIZCTEOSA-N 2 1 295.471 2.053 20 0 CEADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001267729721 803681269 /nfs/dbraw/zinc/68/12/69/803681269.db2.gz DKHZZXIMAUVTTJ-INIZCTEOSA-N 2 1 293.455 2.019 20 0 CEADMP C[NH+]1CCC(CC[N@H+]2CC[C@@H]3OCCC[C@H]3C2)CC1 ZINC001207479422 803732850 /nfs/dbraw/zinc/73/28/50/803732850.db2.gz IOTGZGXSCOEOPH-HOTGVXAUSA-N 2 1 266.429 2.219 20 0 CEADMP CC(=O)[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207486284 803802477 /nfs/dbraw/zinc/80/24/77/803802477.db2.gz FTQKUGBOMJIVSK-OAHLLOKOSA-N 2 1 252.402 2.162 20 0 CEADMP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267961166 803851673 /nfs/dbraw/zinc/85/16/73/803851673.db2.gz XQANULXVBMOXRA-CVEARBPZSA-N 2 1 293.455 2.018 20 0 CEADMP C[C@H]1C[C@@H](N2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000709447598 803866033 /nfs/dbraw/zinc/86/60/33/803866033.db2.gz HZVPHDQWPHPZJV-WMZOPIPTSA-N 2 1 287.451 2.335 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000715531233 814972405 /nfs/dbraw/zinc/97/24/05/814972405.db2.gz IUERONCQZHHGMI-RBSFLKMASA-N 2 1 254.418 2.249 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300002452 803924515 /nfs/dbraw/zinc/92/45/15/803924515.db2.gz RIINWMKEVQWOOK-ZIAGYGMSSA-N 2 1 252.402 2.149 20 0 CEADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(OC)cc1F ZINC001118121995 814986439 /nfs/dbraw/zinc/98/64/39/814986439.db2.gz MORNWIILNTVGJV-GHMZBOCLSA-N 2 1 254.349 2.483 20 0 CEADMP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001027576230 804132055 /nfs/dbraw/zinc/13/20/55/804132055.db2.gz MRHWTOXJYLAHGP-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001027576230 804132059 /nfs/dbraw/zinc/13/20/59/804132059.db2.gz MRHWTOXJYLAHGP-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001027576230 804132066 /nfs/dbraw/zinc/13/20/66/804132066.db2.gz MRHWTOXJYLAHGP-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCC(C)(C)C ZINC001027795151 804262989 /nfs/dbraw/zinc/26/29/89/804262989.db2.gz PJYRUABEUOCKGC-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001027795151 804262995 /nfs/dbraw/zinc/26/29/95/804262995.db2.gz PJYRUABEUOCKGC-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC(C)(C)C ZINC001027795151 804263002 /nfs/dbraw/zinc/26/30/02/804263002.db2.gz PJYRUABEUOCKGC-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268086359 804398735 /nfs/dbraw/zinc/39/87/35/804398735.db2.gz LULKONCGSQVJPV-LSDHHAIUSA-N 2 1 297.487 2.201 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001167834568 804417976 /nfs/dbraw/zinc/41/79/76/804417976.db2.gz KVQTUYZHYWGDLY-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2ncn(C)c2C1 ZINC001167834906 804422322 /nfs/dbraw/zinc/42/23/22/804422322.db2.gz NSCIIOJGWFRPPJ-CQSZACIVSA-N 2 1 278.444 2.289 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001167836824 804429910 /nfs/dbraw/zinc/42/99/10/804429910.db2.gz HSKRNCDCFBFVLM-KFWWJZLASA-N 2 1 266.429 2.408 20 0 CEADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(C)(N(C)C)C1 ZINC001167838118 804433392 /nfs/dbraw/zinc/43/33/92/804433392.db2.gz QKQYREIRVNDRKR-CQSZACIVSA-N 2 1 255.450 2.133 20 0 CEADMP CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001268179348 804528700 /nfs/dbraw/zinc/52/87/00/804528700.db2.gz ODNZKVWNFLYXRT-HZPDHXFCSA-N 2 1 297.487 2.345 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC1=CCCCC1 ZINC001282213535 804584199 /nfs/dbraw/zinc/58/41/99/804584199.db2.gz FCRFTGJSPUCGHG-LSDHHAIUSA-N 2 1 295.471 2.311 20 0 CEADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2C[C@H]3C[C@H]3C2)c1 ZINC001167897178 804588545 /nfs/dbraw/zinc/58/85/45/804588545.db2.gz HVPGNVPVZGPYCZ-PIIMJCKOSA-N 2 1 286.419 2.407 20 0 CEADMP CC[NH2+]CC[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001268385904 804646421 /nfs/dbraw/zinc/64/64/21/804646421.db2.gz FCSSVPFZIMUIDM-AWEZNQCLSA-N 2 1 283.460 2.145 20 0 CEADMP CC(C)CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268555837 804820175 /nfs/dbraw/zinc/82/01/75/804820175.db2.gz LKBPYFANDPJMRS-JFDDCEBESA-N 2 1 295.471 2.169 20 0 CEADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000165087999 807037081 /nfs/dbraw/zinc/03/70/81/807037081.db2.gz YGIPOTAXQUYQKR-JSGCOSHPSA-N 2 1 255.365 2.404 20 0 CEADMP CCCCCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001268844876 804987455 /nfs/dbraw/zinc/98/74/55/804987455.db2.gz ZNELYGVYUGETEE-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C(C1CC1)[NH+]1CCC([N@H+]2CCC[C@@]23CCOC3)CC1 ZINC001168387861 807046315 /nfs/dbraw/zinc/04/63/15/807046315.db2.gz WHXQXUJKZXORHD-INIZCTEOSA-N 2 1 264.413 2.116 20 0 CEADMP CCCCC[N@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)n1ccnc1 ZINC001269309754 805123267 /nfs/dbraw/zinc/12/32/67/805123267.db2.gz JACFLMFVRWZPGX-HUUCEWRRSA-N 2 1 292.427 2.215 20 0 CEADMP COC(=O)C1(C)CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168390029 807053694 /nfs/dbraw/zinc/05/36/94/807053694.db2.gz DRIWYGYPROTMLZ-UHFFFAOYSA-N 2 1 294.439 2.136 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845718 805303888 /nfs/dbraw/zinc/30/38/88/805303888.db2.gz ONYALUMVETUSNZ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845718 805303896 /nfs/dbraw/zinc/30/38/96/805303896.db2.gz ONYALUMVETUSNZ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845718 805303904 /nfs/dbraw/zinc/30/39/04/805303904.db2.gz ONYALUMVETUSNZ-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845720 805304153 /nfs/dbraw/zinc/30/41/53/805304153.db2.gz ONYALUMVETUSNZ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845720 805304161 /nfs/dbraw/zinc/30/41/61/805304161.db2.gz ONYALUMVETUSNZ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001028845720 805304171 /nfs/dbraw/zinc/30/41/71/805304171.db2.gz ONYALUMVETUSNZ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC)C1 ZINC001028919053 805357677 /nfs/dbraw/zinc/35/76/77/805357677.db2.gz QDDMLPCKMHKMCY-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC001028919053 805357688 /nfs/dbraw/zinc/35/76/88/805357688.db2.gz QDDMLPCKMHKMCY-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC001028919053 805357692 /nfs/dbraw/zinc/35/76/92/805357692.db2.gz QDDMLPCKMHKMCY-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP O=C1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167968745 805493193 /nfs/dbraw/zinc/49/31/93/805493193.db2.gz UXARVWAADRZFCF-WTXIUTQJSA-N 2 1 276.424 2.493 20 0 CEADMP O=C1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968745 805493200 /nfs/dbraw/zinc/49/32/00/805493200.db2.gz UXARVWAADRZFCF-WTXIUTQJSA-N 2 1 276.424 2.493 20 0 CEADMP C[N@H+]1CCC[C@@](C)(NC2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167977861 805513022 /nfs/dbraw/zinc/51/30/22/805513022.db2.gz GVNBBLNQPQXNNY-HQSKLWIPSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@@](C)(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167977861 805513026 /nfs/dbraw/zinc/51/30/26/805513026.db2.gz GVNBBLNQPQXNNY-HQSKLWIPSA-N 2 1 291.483 2.466 20 0 CEADMP C[NH+]1CCC[C@@](C)(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167977861 805513031 /nfs/dbraw/zinc/51/30/31/805513031.db2.gz GVNBBLNQPQXNNY-HQSKLWIPSA-N 2 1 291.483 2.466 20 0 CEADMP CN1CCC[C@@](C)([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167977861 805513036 /nfs/dbraw/zinc/51/30/36/805513036.db2.gz GVNBBLNQPQXNNY-HQSKLWIPSA-N 2 1 291.483 2.466 20 0 CEADMP CN1CCC[C@@](C)([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167977861 805513041 /nfs/dbraw/zinc/51/30/41/805513041.db2.gz GVNBBLNQPQXNNY-HQSKLWIPSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@@]1(C)O ZINC001167984798 805537002 /nfs/dbraw/zinc/53/70/02/805537002.db2.gz RVLIOVLYVNOSQN-SCBLWJDOSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H]1CO ZINC001167984739 805537301 /nfs/dbraw/zinc/53/73/01/805537301.db2.gz QJWLWVNVBHWKER-WUOJDRAKSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H]1CO ZINC001167984739 805537308 /nfs/dbraw/zinc/53/73/08/805537308.db2.gz QJWLWVNVBHWKER-WUOJDRAKSA-N 2 1 292.467 2.485 20 0 CEADMP C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H]1CO ZINC001167984739 805537314 /nfs/dbraw/zinc/53/73/14/805537314.db2.gz QJWLWVNVBHWKER-WUOJDRAKSA-N 2 1 292.467 2.485 20 0 CEADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168399500 807085732 /nfs/dbraw/zinc/08/57/32/807085732.db2.gz BQXBLPGQOHQHNC-MLGOLLRUSA-N 2 1 262.372 2.224 20 0 CEADMP C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146006 807223142 /nfs/dbraw/zinc/22/31/42/807223142.db2.gz GINWSZHJDNZPCK-WBMJQRKESA-N 2 1 280.387 2.233 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)CO2)CC[C@H]1[NH3+] ZINC000716279722 815110031 /nfs/dbraw/zinc/11/00/31/815110031.db2.gz SQWWWWUASWWWMN-RBSFLKMASA-N 2 1 266.429 2.395 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716295953 815110679 /nfs/dbraw/zinc/11/06/79/815110679.db2.gz SWNQFPHIOQMVDQ-ZIAGYGMSSA-N 2 1 252.402 2.006 20 0 CEADMP Cc1[nH]c2ncccc2c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205093736 807572058 /nfs/dbraw/zinc/57/20/58/807572058.db2.gz FMHMAPFHHZVFQK-LBPRGKRZSA-N 2 1 258.369 2.185 20 0 CEADMP CC[C@H]1CO[C@H](C)C[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699283432 807670224 /nfs/dbraw/zinc/67/02/24/807670224.db2.gz SCXUSUQHCAUWGN-OIYCOIKZSA-N 2 1 252.402 2.016 20 0 CEADMP CC[N@@H+](C[C@H]1CCCO1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699281796 807670374 /nfs/dbraw/zinc/67/03/74/807670374.db2.gz KZXINPUUQZBNNY-JALIKCBVSA-N 2 1 252.402 2.018 20 0 CEADMP COc1c(F)cccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109517 807670446 /nfs/dbraw/zinc/67/04/46/807670446.db2.gz HJPAQZLTEYABBV-GFCCVEGCSA-N 2 1 252.333 2.148 20 0 CEADMP COc1c(F)cccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205109517 807670450 /nfs/dbraw/zinc/67/04/50/807670450.db2.gz HJPAQZLTEYABBV-GFCCVEGCSA-N 2 1 252.333 2.148 20 0 CEADMP CCOc1ccc(OC)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205116619 807700772 /nfs/dbraw/zinc/70/07/72/807700772.db2.gz FATVLBOARMJQEK-AWEZNQCLSA-N 2 1 278.396 2.407 20 0 CEADMP CCOc1ccc(OC)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205116619 807700776 /nfs/dbraw/zinc/70/07/76/807700776.db2.gz FATVLBOARMJQEK-AWEZNQCLSA-N 2 1 278.396 2.407 20 0 CEADMP Cc1c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)ccnc1Cl ZINC001205117073 807701918 /nfs/dbraw/zinc/70/19/18/807701918.db2.gz KHLYBVALSXXNGG-GFCCVEGCSA-N 2 1 253.777 2.357 20 0 CEADMP Cc1c(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccnc1Cl ZINC001205117073 807701926 /nfs/dbraw/zinc/70/19/26/807701926.db2.gz KHLYBVALSXXNGG-GFCCVEGCSA-N 2 1 253.777 2.357 20 0 CEADMP CSc1cc(C)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205117888 807707774 /nfs/dbraw/zinc/70/77/74/807707774.db2.gz XWOCVFZVJARGPY-ZDUSSCGKSA-N 2 1 265.426 2.425 20 0 CEADMP CSc1cc(C)c(C[N@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205117888 807707778 /nfs/dbraw/zinc/70/77/78/807707778.db2.gz XWOCVFZVJARGPY-ZDUSSCGKSA-N 2 1 265.426 2.425 20 0 CEADMP CC[C@@H]1COC[C@H]1[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000699515947 807735242 /nfs/dbraw/zinc/73/52/42/807735242.db2.gz PROFSGORMAZMBE-RBSFLKMASA-N 2 1 254.418 2.121 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H](NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000715266072 807856405 /nfs/dbraw/zinc/85/64/05/807856405.db2.gz XTNXSIGWVSJLBJ-BWNFHQQQSA-N 2 1 279.472 2.464 20 0 CEADMP CN1[C@@H]2CCC[C@H]1CC([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC000715266072 807856414 /nfs/dbraw/zinc/85/64/14/807856414.db2.gz XTNXSIGWVSJLBJ-BWNFHQQQSA-N 2 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000715266072 807856423 /nfs/dbraw/zinc/85/64/23/807856423.db2.gz XTNXSIGWVSJLBJ-BWNFHQQQSA-N 3 1 279.472 2.464 20 0 CEADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000715266072 807856431 /nfs/dbraw/zinc/85/64/31/807856431.db2.gz XTNXSIGWVSJLBJ-BWNFHQQQSA-N 3 1 279.472 2.464 20 0 CEADMP CCC(CC)C[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001031439661 807958791 /nfs/dbraw/zinc/95/87/91/807958791.db2.gz IUPJSNAHLQGJNL-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492389 808010025 /nfs/dbraw/zinc/01/00/25/808010025.db2.gz IVQUFOSDGPWNAP-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492389 808010032 /nfs/dbraw/zinc/01/00/32/808010032.db2.gz IVQUFOSDGPWNAP-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492389 808010039 /nfs/dbraw/zinc/01/00/39/808010039.db2.gz IVQUFOSDGPWNAP-LSDHHAIUSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492387 808010510 /nfs/dbraw/zinc/01/05/10/808010510.db2.gz IVQUFOSDGPWNAP-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492387 808010515 /nfs/dbraw/zinc/01/05/15/808010515.db2.gz IVQUFOSDGPWNAP-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492387 808010520 /nfs/dbraw/zinc/01/05/20/808010520.db2.gz IVQUFOSDGPWNAP-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccsc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236313974 808061534 /nfs/dbraw/zinc/06/15/34/808061534.db2.gz COBKYJQRYBDNFT-BETUJISGSA-N 2 1 250.411 2.488 20 0 CEADMP C(C1CCSCC1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236313993 808062647 /nfs/dbraw/zinc/06/26/47/808062647.db2.gz DKYKRILHITVYQM-OKILXGFUSA-N 2 1 254.443 2.061 20 0 CEADMP COC(C)(C)CCC[C@@H](C)CCN1C[C@@H]([NH3+])C2(COC2)C1 ZINC001237176360 808200682 /nfs/dbraw/zinc/20/06/82/808200682.db2.gz PUFDLNLKFQKIDF-HUUCEWRRSA-N 2 1 298.471 2.267 20 0 CEADMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171520030 815191560 /nfs/dbraw/zinc/19/15/60/815191560.db2.gz KXGDILQIXKDUNR-GXSJLCMTSA-N 2 1 286.341 2.488 20 0 CEADMP CO[C@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171630737 815201532 /nfs/dbraw/zinc/20/15/32/815201532.db2.gz AUQDKSYRPRJRRL-ZDUSSCGKSA-N 2 1 254.418 2.359 20 0 CEADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H](O)C2)CC1(C)C ZINC001171628909 815200397 /nfs/dbraw/zinc/20/03/97/815200397.db2.gz MECXORYLHFSPSL-ZDUSSCGKSA-N 2 1 254.418 2.095 20 0 CEADMP CC/C=C\CC[NH2+]C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001203455645 808430025 /nfs/dbraw/zinc/43/00/25/808430025.db2.gz HWEFABQBIWXSBO-SREVYHEPSA-N 2 1 295.471 2.265 20 0 CEADMP COC[C@H]1CC[N@H+]1C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171640276 815215264 /nfs/dbraw/zinc/21/52/64/815215264.db2.gz AJXABJFLOJTKBW-GFCCVEGCSA-N 2 1 254.418 2.359 20 0 CEADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2c(F)cccc2Cl)CC1 ZINC001205208221 808547030 /nfs/dbraw/zinc/54/70/30/808547030.db2.gz CBCFSDFASGWDDT-AWEZNQCLSA-N 2 1 286.778 2.155 20 0 CEADMP CC1(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)CCCCC1 ZINC001205209747 808556935 /nfs/dbraw/zinc/55/69/35/808556935.db2.gz KZAMNHHYBZWIHM-OAHLLOKOSA-N 2 1 254.418 2.133 20 0 CEADMP C[C@@H]1C[C@@H](n2ccc(C[NH3+])n2)C[N@H+]1Cc1ccccc1 ZINC001171725959 815218126 /nfs/dbraw/zinc/21/81/26/815218126.db2.gz QNSMIHFUKHVICG-CZUORRHYSA-N 2 1 270.380 2.177 20 0 CEADMP C[C@@H]1C[C@H](n2ccnc2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC001171727110 815218533 /nfs/dbraw/zinc/21/85/33/815218533.db2.gz PSZDOFHXWUTCAN-HIFRSBDPSA-N 2 1 270.380 2.177 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc3occc32)CC1 ZINC001205247876 808700303 /nfs/dbraw/zinc/70/03/03/808700303.db2.gz KKYRZEUTFBJTCV-MRXNPFEDSA-N 2 1 274.364 2.109 20 0 CEADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc3ccoc32)CC1 ZINC001205249027 808704495 /nfs/dbraw/zinc/70/44/95/808704495.db2.gz VIIISGJDIUCIOJ-MRXNPFEDSA-N 2 1 274.364 2.109 20 0 CEADMP C[C@H](C[NH2+]Cc1cccc2c1OCC2)C[NH+]1CCCC1 ZINC000693184274 808776767 /nfs/dbraw/zinc/77/67/67/808776767.db2.gz UCPHWKYCTRZUTO-CQSZACIVSA-N 2 1 274.408 2.443 20 0 CEADMP CC(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001272881868 808839461 /nfs/dbraw/zinc/83/94/61/808839461.db2.gz LYWRTKDIBLTWQV-JKSUJKDBSA-N 2 1 297.487 2.247 20 0 CEADMP CCCCC[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203337607 815253437 /nfs/dbraw/zinc/25/34/37/815253437.db2.gz NEGBXTHODNHOIK-OAHLLOKOSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4n[nH]cc43)C2)CC1 ZINC001143097051 809006733 /nfs/dbraw/zinc/00/67/33/809006733.db2.gz MJSYWQXZVBDOBX-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033198418 809231645 /nfs/dbraw/zinc/23/16/45/809231645.db2.gz LEVOEZVFRZKWOG-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033198418 809231647 /nfs/dbraw/zinc/23/16/47/809231647.db2.gz LEVOEZVFRZKWOG-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033198418 809231650 /nfs/dbraw/zinc/23/16/50/809231650.db2.gz LEVOEZVFRZKWOG-HZPDHXFCSA-N 2 1 295.471 2.050 20 0 CEADMP CCN1CC[C@H]([N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001172039390 815276055 /nfs/dbraw/zinc/27/60/55/815276055.db2.gz QQEJEFPBSRAYKJ-JYJNAYRXSA-N 2 1 295.471 2.225 20 0 CEADMP COCc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1 ZINC000700488686 809315909 /nfs/dbraw/zinc/31/59/09/809315909.db2.gz JYDXLMSZRYMFLL-ZDUSSCGKSA-N 2 1 250.386 2.263 20 0 CEADMP Cc1cnccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098968 815282741 /nfs/dbraw/zinc/28/27/41/815282741.db2.gz HNFZLNSLZJZKKB-MUJYYYPQSA-N 2 1 259.397 2.495 20 0 CEADMP CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001033690598 809383387 /nfs/dbraw/zinc/38/33/87/809383387.db2.gz ZBPQVYNLCWIILK-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001033690598 809383391 /nfs/dbraw/zinc/38/33/91/809383391.db2.gz ZBPQVYNLCWIILK-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001033690598 809383395 /nfs/dbraw/zinc/38/33/95/809383395.db2.gz ZBPQVYNLCWIILK-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172125917 815285295 /nfs/dbraw/zinc/28/52/95/815285295.db2.gz RTFCGDYDSFTAER-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172125917 815285296 /nfs/dbraw/zinc/28/52/96/815285296.db2.gz RTFCGDYDSFTAER-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172125917 815285301 /nfs/dbraw/zinc/28/53/01/815285301.db2.gz RTFCGDYDSFTAER-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP CCOC(=O)[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172125917 815285304 /nfs/dbraw/zinc/28/53/04/815285304.db2.gz RTFCGDYDSFTAER-WCVJEAGWSA-N 2 1 294.439 2.277 20 0 CEADMP C[NH2+]CCc1c(C)nn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1C ZINC001172127107 815287906 /nfs/dbraw/zinc/28/79/06/815287906.db2.gz GUVDHMIBXSJZAY-ZSHCYNCHSA-N 2 1 290.455 2.450 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc3c1CC[NH2+]C3)C2 ZINC001172127689 815287998 /nfs/dbraw/zinc/28/79/98/815287998.db2.gz JJWXBXSPVXGISK-FICVDOATSA-N 2 1 259.397 2.322 20 0 CEADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](C(C)C)C1 ZINC001033935238 809458789 /nfs/dbraw/zinc/45/87/89/809458789.db2.gz FEQDAMHGGRIGAF-JYJNAYRXSA-N 2 1 295.471 2.048 20 0 CEADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](C(C)C)C1 ZINC001033935238 809458794 /nfs/dbraw/zinc/45/87/94/809458794.db2.gz FEQDAMHGGRIGAF-JYJNAYRXSA-N 2 1 295.471 2.048 20 0 CEADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](C(C)C)C1 ZINC001033935238 809458796 /nfs/dbraw/zinc/45/87/96/809458796.db2.gz FEQDAMHGGRIGAF-JYJNAYRXSA-N 2 1 295.471 2.048 20 0 CEADMP Cc1noc(C)c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172101852 815294524 /nfs/dbraw/zinc/29/45/24/815294524.db2.gz CEQVPNCBPRYJPZ-ZSOGYDGISA-N 2 1 263.385 2.396 20 0 CEADMP Cc1noc(C)c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101852 815294530 /nfs/dbraw/zinc/29/45/30/815294530.db2.gz CEQVPNCBPRYJPZ-ZSOGYDGISA-N 2 1 263.385 2.396 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)nn1)C2 ZINC001172107651 815295309 /nfs/dbraw/zinc/29/53/09/815295309.db2.gz GCYQXSMRFIWSAH-CLLJXQQHSA-N 2 1 280.803 2.235 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(Cl)nn1)C2 ZINC001172107651 815295312 /nfs/dbraw/zinc/29/53/12/815295312.db2.gz GCYQXSMRFIWSAH-CLLJXQQHSA-N 2 1 280.803 2.235 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H](O)c1ccc(O)cc1)C2 ZINC001172107905 815297520 /nfs/dbraw/zinc/29/75/20/815297520.db2.gz LLACQJMOPQAKRP-MPTYRVRUSA-N 2 1 290.407 2.031 20 0 CEADMP CCCC[C@@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172108418 815298532 /nfs/dbraw/zinc/29/85/32/815298532.db2.gz WGXVSGBNDSMNPT-XQLPTFJDSA-N 2 1 254.418 2.142 20 0 CEADMP CCCC[C@@H](CO)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172108418 815298537 /nfs/dbraw/zinc/29/85/37/815298537.db2.gz WGXVSGBNDSMNPT-XQLPTFJDSA-N 2 1 254.418 2.142 20 0 CEADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1C[NH+](C(C)(C)C)C1)C2 ZINC001172110071 815301215 /nfs/dbraw/zinc/30/12/15/815301215.db2.gz JMRMEZATSONWKI-XMQYKBBCSA-N 2 1 265.445 2.074 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1C[NH+](C(C)(C)C)C1)C2 ZINC001172110071 815301222 /nfs/dbraw/zinc/30/12/22/815301222.db2.gz JMRMEZATSONWKI-XMQYKBBCSA-N 2 1 265.445 2.074 20 0 CEADMP COCC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCOCC1 ZINC001172111269 815301661 /nfs/dbraw/zinc/30/16/61/815301661.db2.gz PEMFKZNEWWPGBC-PHZGNYQRSA-N 2 1 296.455 2.035 20 0 CEADMP CC(C)[C@@H](C[NH2+]C1CCC(C)(O)CC1)[NH+]1CCCC1 ZINC000703003364 809610775 /nfs/dbraw/zinc/61/07/75/809610775.db2.gz NCHXLQNTTGRIMF-HWOWSKLDSA-N 2 1 268.445 2.390 20 0 CEADMP CCC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001038558163 809656902 /nfs/dbraw/zinc/65/69/02/809656902.db2.gz UOZZBSQEHCBXAA-INIZCTEOSA-N 2 1 298.390 2.086 20 0 CEADMP COC1CC(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])C1 ZINC000703875668 809699633 /nfs/dbraw/zinc/69/96/33/809699633.db2.gz ZWKVUPVNMVSLQU-XSCHDIRWSA-N 2 1 254.418 2.251 20 0 CEADMP CCC1(O)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172121407 815311396 /nfs/dbraw/zinc/31/13/96/815311396.db2.gz FVRHLKROTCSSND-QDMKHBRRSA-N 2 1 266.429 2.239 20 0 CEADMP CCC1(O)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172121407 815311404 /nfs/dbraw/zinc/31/14/04/815311404.db2.gz FVRHLKROTCSSND-QDMKHBRRSA-N 2 1 266.429 2.239 20 0 CEADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3(C1)CCOCC3)C2 ZINC001172121754 815311416 /nfs/dbraw/zinc/31/14/16/815311416.db2.gz LYIFJEXPNUGDHY-FICVDOATSA-N 2 1 264.413 2.114 20 0 CEADMP CC(C)(C)[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000708928868 809938539 /nfs/dbraw/zinc/93/85/39/809938539.db2.gz YFEBABXDTFPQBE-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(C)[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000708928868 809938544 /nfs/dbraw/zinc/93/85/44/809938544.db2.gz YFEBABXDTFPQBE-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP CC1(C)C[C@@H](C[N@H+]2CCC[C@@H](C[NH3+])C2)C(C)(C)O1 ZINC000709702796 809953938 /nfs/dbraw/zinc/95/39/38/809953938.db2.gz PJYJXLPEUTWYDU-STQMWFEESA-N 2 1 254.418 2.251 20 0 CEADMP O[C@H](CC1CCCC1)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709851140 809972672 /nfs/dbraw/zinc/97/26/72/809972672.db2.gz XODVICVSBBSHJP-CVEARBPZSA-N 2 1 266.429 2.003 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1F)C2 ZINC000709852698 809973247 /nfs/dbraw/zinc/97/32/47/809973247.db2.gz HWDKHBJFTIEDCE-XDTLVQLUSA-N 2 1 252.308 2.276 20 0 CEADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000709852698 809973248 /nfs/dbraw/zinc/97/32/48/809973248.db2.gz HWDKHBJFTIEDCE-XDTLVQLUSA-N 2 1 252.308 2.276 20 0 CEADMP Cc1cc(C)cc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000710368796 809987131 /nfs/dbraw/zinc/98/71/31/809987131.db2.gz MHDNEFZPUXCWLX-SMLCLMEVSA-N 2 1 256.393 2.389 20 0 CEADMP C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)CCCCCC[NH3+] ZINC000710695365 809990005 /nfs/dbraw/zinc/99/00/05/809990005.db2.gz UNHYDYYSZPYMPE-AWEZNQCLSA-N 2 1 283.460 2.275 20 0 CEADMP C[N@@H+](CCCCCC[NH3+])CC(=O)Nc1cccnc1Cl ZINC000710706733 809990023 /nfs/dbraw/zinc/99/00/23/809990023.db2.gz ZBJYDDOJXPMFAW-UHFFFAOYSA-N 2 1 298.818 2.124 20 0 CEADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000923371704 810089322 /nfs/dbraw/zinc/08/93/22/810089322.db2.gz ZKVAANYRKLWXLV-QWHCGFSZSA-N 2 1 288.794 2.476 20 0 CEADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)[C@@H](C)C1 ZINC001172239011 815354315 /nfs/dbraw/zinc/35/43/15/815354315.db2.gz ZUHQBMSWOKLIDM-NIOBXDJOSA-N 2 1 264.413 2.181 20 0 CEADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001014966834 810250424 /nfs/dbraw/zinc/25/04/24/810250424.db2.gz ZCUWZZREPSZGNJ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001014966834 810250429 /nfs/dbraw/zinc/25/04/29/810250429.db2.gz ZCUWZZREPSZGNJ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001014966834 810250436 /nfs/dbraw/zinc/25/04/36/810250436.db2.gz ZCUWZZREPSZGNJ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001014966834 810250438 /nfs/dbraw/zinc/25/04/38/810250438.db2.gz ZCUWZZREPSZGNJ-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC)C[C@H]1C ZINC001080755902 810304598 /nfs/dbraw/zinc/30/45/98/810304598.db2.gz ASHUFTMBTNSTHA-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC)C[C@H]1C ZINC001080755902 810304605 /nfs/dbraw/zinc/30/46/05/810304605.db2.gz ASHUFTMBTNSTHA-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC001080755902 810304612 /nfs/dbraw/zinc/30/46/12/810304612.db2.gz ASHUFTMBTNSTHA-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP COCCC[NH+]1CCC([NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001172253142 815360399 /nfs/dbraw/zinc/36/03/99/815360399.db2.gz DIHCJNLAOXJMCJ-GJZGRUSLSA-N 2 1 268.445 2.465 20 0 CEADMP CCc1cc(N2CCC[C@@](C)(C[NH3+])CC2)nc(C)[nH+]1 ZINC001164247533 810334544 /nfs/dbraw/zinc/33/45/44/810334544.db2.gz KYSUPMSEPQVERN-OAHLLOKOSA-N 2 1 262.401 2.303 20 0 CEADMP C[NH2+]CCCCC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC001121991231 815374876 /nfs/dbraw/zinc/37/48/76/815374876.db2.gz OFYZPKWPWGXJCV-HNNXBMFYSA-N 2 1 283.460 2.004 20 0 CEADMP C[N@H+]1CCC[C@@H](CNC(=O)CCCCC2CC[NH2+]CC2)C1 ZINC001121997012 815375161 /nfs/dbraw/zinc/37/51/61/815375161.db2.gz QZDGJECXQZFTQZ-INIZCTEOSA-N 2 1 295.471 2.004 20 0 CEADMP CC(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001019468418 810713432 /nfs/dbraw/zinc/71/34/32/810713432.db2.gz URQVJRFKGUTWDI-HOTGVXAUSA-N 2 1 295.471 2.096 20 0 CEADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172358357 815402653 /nfs/dbraw/zinc/40/26/53/815402653.db2.gz HDODZFWRGMNDBC-FQUUOJAGSA-N 2 1 270.417 2.071 20 0 CEADMP Cc1ccc(NCCNC(=O)C[C@@H]([NH3+])c2ccccc2)[nH+]c1 ZINC001122324247 815402818 /nfs/dbraw/zinc/40/28/18/815402818.db2.gz XCUKHMUBBSGREQ-OAHLLOKOSA-N 2 1 298.390 2.008 20 0 CEADMP C([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722322175 810919275 /nfs/dbraw/zinc/91/92/75/810919275.db2.gz PWQLUBYOVKALFV-HOTGVXAUSA-N 2 1 264.413 2.160 20 0 CEADMP CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001085988146 810992782 /nfs/dbraw/zinc/99/27/82/810992782.db2.gz WQLVQFAQQBUSBQ-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001085988146 810992787 /nfs/dbraw/zinc/99/27/87/810992787.db2.gz WQLVQFAQQBUSBQ-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085988146 810992790 /nfs/dbraw/zinc/99/27/90/810992790.db2.gz WQLVQFAQQBUSBQ-HOTGVXAUSA-N 2 1 295.471 2.194 20 0 CEADMP CC(C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086497410 811170285 /nfs/dbraw/zinc/17/02/85/811170285.db2.gz KXPYCPFMZZMZKQ-BZUAXINKSA-N 2 1 295.471 2.142 20 0 CEADMP CC[C@H](CC(C)C)[N@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001172399933 815426665 /nfs/dbraw/zinc/42/66/65/815426665.db2.gz TUSKQVFMJYVTAT-ARFHVFGLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](CC(C)C)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001172399933 815426669 /nfs/dbraw/zinc/42/66/69/815426669.db2.gz TUSKQVFMJYVTAT-ARFHVFGLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](CC(C)C)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001172399933 815426673 /nfs/dbraw/zinc/42/66/73/815426673.db2.gz TUSKQVFMJYVTAT-ARFHVFGLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](CC(C)C)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001172399933 815426677 /nfs/dbraw/zinc/42/66/77/815426677.db2.gz TUSKQVFMJYVTAT-ARFHVFGLSA-N 2 1 268.445 2.464 20 0 CEADMP CC[C@H](CC(C)C)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001172399933 815426680 /nfs/dbraw/zinc/42/66/80/815426680.db2.gz TUSKQVFMJYVTAT-ARFHVFGLSA-N 2 1 268.445 2.464 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(O)cc1)C2 ZINC001169094466 811365782 /nfs/dbraw/zinc/36/57/82/811365782.db2.gz LRPSLVRYFJWNHV-QDMKHBRRSA-N 2 1 260.381 2.150 20 0 CEADMP COC1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169099917 811373681 /nfs/dbraw/zinc/37/36/81/811373681.db2.gz WRZHYIYSNMHALQ-LAKJJFTBSA-N 2 1 252.402 2.159 20 0 CEADMP Cc1ncc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC001169077895 811376769 /nfs/dbraw/zinc/37/67/69/811376769.db2.gz BGNNGKPRSIBTHH-ZSBIGDGJSA-N 2 1 251.399 2.166 20 0 CEADMP Cc1ncc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC001169077895 811376778 /nfs/dbraw/zinc/37/67/78/811376778.db2.gz BGNNGKPRSIBTHH-ZSBIGDGJSA-N 2 1 251.399 2.166 20 0 CEADMP COc1cccc(OCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169089289 811380284 /nfs/dbraw/zinc/38/02/84/811380284.db2.gz AUFQLQNSDNGMBW-QKDCVEJESA-N 2 1 290.407 2.289 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(c3ccccc3)COC1)C2 ZINC001169090712 811384080 /nfs/dbraw/zinc/38/40/80/811384080.db2.gz LMJUVPHHJKJFQK-BJWYYQGGSA-N 2 1 286.419 2.169 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091827 811385513 /nfs/dbraw/zinc/38/55/13/811385513.db2.gz VWBDBISPTYOUFF-YIYPIFLZSA-N 2 1 297.443 2.114 20 0 CEADMP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169117924 811386850 /nfs/dbraw/zinc/38/68/50/811386850.db2.gz BONBYGYSCDLNRN-PWFLSRTFSA-N 2 1 265.445 2.074 20 0 CEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1)C2 ZINC001169117924 811386862 /nfs/dbraw/zinc/38/68/62/811386862.db2.gz BONBYGYSCDLNRN-PWFLSRTFSA-N 2 1 265.445 2.074 20 0 CEADMP COC[C@@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124459 811390712 /nfs/dbraw/zinc/39/07/12/811390712.db2.gz CXCGTPIQKIDZNV-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124459 811390723 /nfs/dbraw/zinc/39/07/23/811390723.db2.gz CXCGTPIQKIDZNV-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP COC[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124459 811390739 /nfs/dbraw/zinc/39/07/39/811390739.db2.gz CXCGTPIQKIDZNV-XGUBFFRZSA-N 2 1 252.402 2.113 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC1CCC(O)CC1)C2 ZINC001169108875 811403831 /nfs/dbraw/zinc/40/38/31/811403831.db2.gz DPRKGGRGCDIOJF-KVXYAPCNSA-N 2 1 266.429 2.142 20 0 CEADMP C[N@@H+](C[C@H]1CCCCO1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169140720 811405239 /nfs/dbraw/zinc/40/52/39/811405239.db2.gz LPFMPSZJTDFPTE-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](C[C@H]1CCCCO1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169140720 811405244 /nfs/dbraw/zinc/40/52/44/811405244.db2.gz LPFMPSZJTDFPTE-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP C[NH+](C[C@H]1CCCCO1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169140720 811405248 /nfs/dbraw/zinc/40/52/48/811405248.db2.gz LPFMPSZJTDFPTE-CBBWQLFWSA-N 2 1 252.402 2.113 20 0 CEADMP CCN(CC[NH+]1CCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143129 811407925 /nfs/dbraw/zinc/40/79/25/811407925.db2.gz YDEYUWUPUAVMSW-MUJYYYPQSA-N 2 1 265.445 2.029 20 0 CEADMP Cc1nc(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)no1 ZINC001169143195 811409177 /nfs/dbraw/zinc/40/91/77/811409177.db2.gz YWMMMPDVBBCJIR-QDMKHBRRSA-N 2 1 290.411 2.183 20 0 CEADMP Cc1nc(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)no1 ZINC001169143195 811409181 /nfs/dbraw/zinc/40/91/81/811409181.db2.gz YWMMMPDVBBCJIR-QDMKHBRRSA-N 2 1 290.411 2.183 20 0 CEADMP CC[NH+](CC)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169143197 811409286 /nfs/dbraw/zinc/40/92/86/811409286.db2.gz YXSWCBUPKHLYEW-BJWYYQGGSA-N 2 1 279.472 2.418 20 0 CEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC([NH+]3CCC(F)(F)CC3)C1)C2 ZINC001169148673 811412492 /nfs/dbraw/zinc/41/24/92/811412492.db2.gz ZVRJPFHWHWVVRZ-BTTYYORXSA-N 2 1 299.409 2.027 20 0 CEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC([NH+]3CCC(F)(F)CC3)C1)C2 ZINC001169148673 811412495 /nfs/dbraw/zinc/41/24/95/811412495.db2.gz ZVRJPFHWHWVVRZ-BTTYYORXSA-N 2 1 299.409 2.027 20 0 CEADMP CCCN(CCC[NH+](C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169152365 811414326 /nfs/dbraw/zinc/41/43/26/811414326.db2.gz BRJXRZLCWMHDBO-MUJYYYPQSA-N 2 1 267.461 2.275 20 0 CEADMP C[C@H]1C[N@@H+](Cc2c(F)ccc(N)c2F)CCC[C@H]1C[NH3+] ZINC001206004164 811424919 /nfs/dbraw/zinc/42/49/19/811424919.db2.gz QULIWRGSRSYKLW-QWRGUYRKSA-N 2 1 283.366 2.354 20 0 CEADMP CCN1CCC([NH+]2CCC3(CC[NH+](C)CC3)CC2)CC1 ZINC001169262144 811451198 /nfs/dbraw/zinc/45/11/98/811451198.db2.gz TVZYPTORGVRPLI-UHFFFAOYSA-N 2 1 279.472 2.279 20 0 CEADMP CCN1CCC([NH2+]CC2CC[NH+](C3CCC3)CC2)CC1 ZINC001169238849 811456826 /nfs/dbraw/zinc/45/68/26/811456826.db2.gz MAGGLTSJECALIH-UHFFFAOYSA-N 2 1 279.472 2.325 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(C)ncc32)CC1 ZINC001169238414 811457200 /nfs/dbraw/zinc/45/72/00/811457200.db2.gz HLWYLYUZKRIWPG-MRXNPFEDSA-N 2 1 259.397 2.451 20 0 CEADMP CCN1CCC([NH2+]C[C@@H](C)CC(C)(C)CC[NH3+])CC1 ZINC001169239201 811457341 /nfs/dbraw/zinc/45/73/41/811457341.db2.gz QUSFQDAWJYCDPO-AWEZNQCLSA-N 2 1 269.477 2.462 20 0 CEADMP CC[NH+]1CCC([N@H+](CCC(=O)OC)C2CCCC2)CC1 ZINC001169258069 811468422 /nfs/dbraw/zinc/46/84/22/811468422.db2.gz AJDIUKROUVIDJY-UHFFFAOYSA-N 2 1 282.428 2.278 20 0 CEADMP CC[NH+]1CCC([N@@H+](CCC(=O)OC)C2CCCC2)CC1 ZINC001169258069 811468426 /nfs/dbraw/zinc/46/84/26/811468426.db2.gz AJDIUKROUVIDJY-UHFFFAOYSA-N 2 1 282.428 2.278 20 0 CEADMP CC[NH+]1CCC([N@@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC001169258370 811469183 /nfs/dbraw/zinc/46/91/83/811469183.db2.gz JXTGYZGHHOYAKD-AWEZNQCLSA-N 2 1 259.397 2.355 20 0 CEADMP CC[NH+]1CCC([N@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC001169258370 811469189 /nfs/dbraw/zinc/46/91/89/811469189.db2.gz JXTGYZGHHOYAKD-AWEZNQCLSA-N 2 1 259.397 2.355 20 0 CEADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001169433897 811522331 /nfs/dbraw/zinc/52/23/31/811522331.db2.gz BNRSXGCJWCYGLL-KKUMJFAQSA-N 2 1 283.460 2.096 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ncn3ccccc23)CCC[C@H]1C[NH3+] ZINC001206014132 811603478 /nfs/dbraw/zinc/60/34/78/811603478.db2.gz WCVAYQQLWYQWGN-KBPBESRZSA-N 2 1 272.396 2.141 20 0 CEADMP [NH3+]C[C@]1([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CN2CCC1CC2 ZINC001172555277 815461255 /nfs/dbraw/zinc/46/12/55/815461255.db2.gz GXOZCULXFXNDLV-QRQLOZEOSA-N 2 1 299.462 2.335 20 0 CEADMP Cc1c(F)cccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206165548 815464518 /nfs/dbraw/zinc/46/45/18/815464518.db2.gz NZSMCFWJWUKUJW-UONOGXRCSA-N 2 1 254.324 2.395 20 0 CEADMP C[NH+](C)CCC(C)(C)Nc1nc(NCC2CC2)cc[nH+]1 ZINC001169711838 811639095 /nfs/dbraw/zinc/63/90/95/811639095.db2.gz PZIPMGAOIFMEJC-UHFFFAOYSA-N 2 1 277.416 2.441 20 0 CEADMP COc1cncc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC001206024391 811713215 /nfs/dbraw/zinc/71/32/15/811713215.db2.gz JIMRFYKABIMMAG-OCCSQVGLSA-N 2 1 277.412 2.205 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C(C)C)C[C@H]2C)C1 ZINC001172612066 815473039 /nfs/dbraw/zinc/47/30/39/815473039.db2.gz RBEBUQOVQSBHCC-WCVJEAGWSA-N 2 1 296.455 2.427 20 0 CEADMP C[N@H+]1CC[C@@H](C[NH2+]C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172643995 815481155 /nfs/dbraw/zinc/48/11/55/815481155.db2.gz IQBVPLQUMHOASQ-LBPRGKRZSA-N 2 1 254.418 2.264 20 0 CEADMP CC(C)CCC[C@H](C)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001170063516 812023020 /nfs/dbraw/zinc/02/30/20/812023020.db2.gz DGJIFJFZTCZQSC-GOEBONIOSA-N 2 1 267.461 2.214 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001113183366 812177925 /nfs/dbraw/zinc/17/79/25/812177925.db2.gz LZBYHMZJWSEFAC-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP COCc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)s1 ZINC001206175291 815509772 /nfs/dbraw/zinc/50/97/72/815509772.db2.gz UCDQWHBGIJPLGS-STQMWFEESA-N 2 1 272.389 2.156 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)s1 ZINC001206175291 815509773 /nfs/dbraw/zinc/50/97/73/815509773.db2.gz UCDQWHBGIJPLGS-STQMWFEESA-N 2 1 272.389 2.156 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@H]1NCCC[N@@H+](C)C1CCCCC1 ZINC000396538855 812254448 /nfs/dbraw/zinc/25/44/48/812254448.db2.gz KEUZKTIEODCACB-GOEBONIOSA-N 2 1 267.461 2.371 20 0 CEADMP CCCCC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001113672174 812299350 /nfs/dbraw/zinc/29/93/50/812299350.db2.gz OAIATEMHJSNFSJ-IYBDPMFKSA-N 2 1 295.471 2.194 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CCCC1CCC1 ZINC001170223840 812356823 /nfs/dbraw/zinc/35/68/23/812356823.db2.gz WFVLKEUWJXTYLE-UHFFFAOYSA-N 2 1 283.460 2.004 20 0 CEADMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CC1CCCC1 ZINC001129422911 812493134 /nfs/dbraw/zinc/49/31/34/812493134.db2.gz MZKFTSBHSYFRIV-INIZCTEOSA-N 2 1 295.471 2.145 20 0 CEADMP CC(C)CCC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129841016 812515171 /nfs/dbraw/zinc/51/51/71/812515171.db2.gz LKFYZWIZBRCMHI-HNNXBMFYSA-N 2 1 283.460 2.003 20 0 CEADMP CCc1nc(N2CCN(c3cc[nH+]cc3C)CC2)cc(C)[nH+]1 ZINC001158107693 812608669 /nfs/dbraw/zinc/60/86/69/812608669.db2.gz CCBNPEFIVNWEMT-UHFFFAOYSA-N 2 1 297.406 2.377 20 0 CEADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001170523217 812619904 /nfs/dbraw/zinc/61/99/04/812619904.db2.gz BMZMBXCBFSXHFB-OAGGEKHMSA-N 2 1 294.439 2.182 20 0 CEADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(-n2ccnn2)cc1 ZINC001137369168 812718970 /nfs/dbraw/zinc/71/89/70/812718970.db2.gz GXMDPPRMFYFYIB-UHFFFAOYSA-N 2 1 287.411 2.041 20 0 CEADMP CC(C)C[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132105769 812788569 /nfs/dbraw/zinc/78/85/69/812788569.db2.gz MUKNLPSDAONPQK-HUUCEWRRSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]C(C)C)C1 ZINC001133261901 813019432 /nfs/dbraw/zinc/01/94/32/813019432.db2.gz DHZWUFRFODBRAK-HOTGVXAUSA-N 2 1 297.487 2.201 20 0 CEADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)C1 ZINC001255342550 813074042 /nfs/dbraw/zinc/07/40/42/813074042.db2.gz FSLJSXRZFKJHEX-XSCHDIRWSA-N 2 1 282.428 2.310 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@H]1CCC[NH2+]1 ZINC000382752664 813090713 /nfs/dbraw/zinc/09/07/13/813090713.db2.gz CZPZTTRTPZGFAZ-FUHWJXTLSA-N 2 1 287.451 2.335 20 0 CEADMP C[N@H+]1CC[C@H](Nc2ccc(C[NH3+])c(C(F)(F)F)c2)C1 ZINC001255418778 813091901 /nfs/dbraw/zinc/09/19/01/813091901.db2.gz DKPGIAVHSISHJP-NSHDSACASA-N 2 1 273.302 2.280 20 0 CEADMP C[N@@H+](CC(=O)NCC[NH2+]CCCC(C)(C)C)CC(C)(C)C ZINC001133906402 813174784 /nfs/dbraw/zinc/17/47/84/813174784.db2.gz UWUPCNIIVTVYNY-UHFFFAOYSA-N 2 1 299.503 2.496 20 0 CEADMP O[C@H](CN1CCCC1)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000388582294 813239550 /nfs/dbraw/zinc/23/95/50/813239550.db2.gz JSVVUUALWKUAPG-HZPDHXFCSA-N 2 1 266.429 2.098 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000388582294 813239553 /nfs/dbraw/zinc/23/95/53/813239553.db2.gz JSVVUUALWKUAPG-HZPDHXFCSA-N 2 1 266.429 2.098 20 0 CEADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000388582294 813239555 /nfs/dbraw/zinc/23/95/55/813239555.db2.gz JSVVUUALWKUAPG-HZPDHXFCSA-N 2 1 266.429 2.098 20 0 CEADMP CCOc1cccc(C[NH+]2C[C@@H]3C[NH+](CC)C[C@H]3C2)c1 ZINC001138103906 813260840 /nfs/dbraw/zinc/26/08/40/813260840.db2.gz JUHIHQSXHSHWBT-HOTGVXAUSA-N 2 1 274.408 2.469 20 0 CEADMP CC/C=C\CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135095730 813364259 /nfs/dbraw/zinc/36/42/59/813364259.db2.gz OYEQNPBBMJMURI-JNXQLMTMSA-N 2 1 293.455 2.065 20 0 CEADMP CCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135102731 813365145 /nfs/dbraw/zinc/36/51/45/813365145.db2.gz LYADEHRUYAFNNF-CVEARBPZSA-N 2 1 295.471 2.289 20 0 CEADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1CCCOCC1 ZINC001170797396 813373647 /nfs/dbraw/zinc/37/36/47/813373647.db2.gz UPUGFPBINLMQOG-CQSZACIVSA-N 3 1 285.476 2.031 20 0 CEADMP CC(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135477402 813447190 /nfs/dbraw/zinc/44/71/90/813447190.db2.gz UYRBESDUFMGUOE-LSDHHAIUSA-N 2 1 297.487 2.247 20 0 CEADMP CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135679297 813499627 /nfs/dbraw/zinc/49/96/27/813499627.db2.gz MADWSIKODZWGDR-KGLIPLIRSA-N 2 1 294.443 2.255 20 0 CEADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]C(C)C ZINC001135680277 813501460 /nfs/dbraw/zinc/50/14/60/813501460.db2.gz UDTBOFODKBNNMS-ZIAGYGMSSA-N 2 1 294.443 2.253 20 0 CEADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCC1 ZINC001135861659 813550930 /nfs/dbraw/zinc/55/09/30/813550930.db2.gz VEWNXFNHFDDCNF-GJZGRUSLSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000396702789 813580497 /nfs/dbraw/zinc/58/04/97/813580497.db2.gz HPTPVXLDBZVYRB-HOCLYGCPSA-N 2 1 273.424 2.169 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1csc(Br)c1 ZINC000397972882 813649795 /nfs/dbraw/zinc/64/97/95/813649795.db2.gz BRGJAFPKWIQTRY-SCZZXKLOSA-N 2 1 289.242 2.456 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)nc2)CC[NH2+]1 ZINC001246075892 813671556 /nfs/dbraw/zinc/67/15/56/813671556.db2.gz BSPLKULBUOZJFC-MWLCHTKSSA-N 2 1 284.201 2.074 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H](CN[C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001246097781 813687147 /nfs/dbraw/zinc/68/71/47/813687147.db2.gz IKRJYLCNRFULKQ-ARFHVFGLSA-N 2 1 279.472 2.229 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1CN[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246109741 813702062 /nfs/dbraw/zinc/70/20/62/813702062.db2.gz KRLLXWDZQPHYPS-XHSDSOJGSA-N 2 1 279.472 2.371 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCOC(C)(C)C1 ZINC001255549196 813737301 /nfs/dbraw/zinc/73/73/01/813737301.db2.gz JDQCGOQREBYOPR-AWEZNQCLSA-N 2 1 254.418 2.362 20 0 CEADMP CC[C@]1([NH2+][C@@H](C)Cc2cccc(F)c2)CC[NH2+]C1 ZINC001246459386 813840148 /nfs/dbraw/zinc/84/01/48/813840148.db2.gz JXSMXTCMMDTHBT-WFASDCNBSA-N 2 1 250.361 2.488 20 0 CEADMP CC[C@]1([NH2+][C@@H](C)Cc2ccc(F)cc2)CC[NH2+]C1 ZINC001246462147 813842967 /nfs/dbraw/zinc/84/29/67/813842967.db2.gz QVPCIMTVRHQNNU-WFASDCNBSA-N 2 1 250.361 2.488 20 0 CEADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]2C1 ZINC001137030788 813843750 /nfs/dbraw/zinc/84/37/50/813843750.db2.gz MPMPVXDOUBXKLU-IRXDYDNUSA-N 2 1 272.392 2.100 20 0 CEADMP C[C@@H]1CC([N@H+]2CCC[C@@](F)(C[NH3+])CC2)C[C@@H](C)O1 ZINC001246548264 813990754 /nfs/dbraw/zinc/99/07/54/813990754.db2.gz JYHRUWWFUJTEGP-BZPMIXESSA-N 2 1 258.381 2.095 20 0 CEADMP CC[C@@H]1C[C@@H]([N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246553768 814019923 /nfs/dbraw/zinc/01/99/23/814019923.db2.gz UKTYNBPNKCXZOH-NPJQDHAYSA-N 3 1 267.461 2.212 20 0 CEADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C[C@H](CC)[NH2+]1 ZINC001246553768 814019930 /nfs/dbraw/zinc/01/99/30/814019930.db2.gz UKTYNBPNKCXZOH-NPJQDHAYSA-N 3 1 267.461 2.212 20 0 CEADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)C1 ZINC001246558128 814037149 /nfs/dbraw/zinc/03/71/49/814037149.db2.gz MDNHMRTUWVHKRC-TUVASFSCSA-N 2 1 282.428 2.025 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](N)[C@H](F)CC2)CC1 ZINC001246568995 814074544 /nfs/dbraw/zinc/07/45/44/814074544.db2.gz MLVOYWCAJYBCHF-QDIHITRGSA-N 2 1 285.451 2.401 20 0 CEADMP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246568995 814074550 /nfs/dbraw/zinc/07/45/50/814074550.db2.gz MLVOYWCAJYBCHF-QDIHITRGSA-N 3 1 285.451 2.401 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246568995 814074559 /nfs/dbraw/zinc/07/45/59/814074559.db2.gz MLVOYWCAJYBCHF-QDIHITRGSA-N 3 1 285.451 2.401 20 0 CEADMP C[C@@H]1C[N@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CCC[C@H]1C[NH3+] ZINC001246570820 814089926 /nfs/dbraw/zinc/08/99/26/814089926.db2.gz WAKOBDIAIFEXBF-SEBNEYGDSA-N 2 1 264.413 2.051 20 0 CEADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001246577305 814122840 /nfs/dbraw/zinc/12/28/40/814122840.db2.gz NYQWYLIOLJVLNJ-MRXNPFEDSA-N 3 1 267.461 2.310 20 0 CEADMP CC(C)N1CCC([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001246577305 814122842 /nfs/dbraw/zinc/12/28/42/814122842.db2.gz NYQWYLIOLJVLNJ-MRXNPFEDSA-N 2 1 267.461 2.310 20 0 CEADMP CC(C)N1CCC([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1 ZINC001246577305 814122848 /nfs/dbraw/zinc/12/28/48/814122848.db2.gz NYQWYLIOLJVLNJ-MRXNPFEDSA-N 2 1 267.461 2.310 20 0 CEADMP C[N@H+](Cc1ncn2ccccc12)CC1CC[NH+](C)CC1 ZINC001144622653 814132741 /nfs/dbraw/zinc/13/27/41/814132741.db2.gz LKDVTLOJJWDPSZ-UHFFFAOYSA-N 2 1 272.396 2.108 20 0 CEADMP COC(=O)CCCC[C@@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246580501 814148557 /nfs/dbraw/zinc/14/85/57/814148557.db2.gz NEFIAKOQEDNTNL-HIFRSBDPSA-N 2 1 288.407 2.261 20 0 CEADMP COC(=O)CCCC[C@@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246580501 814148561 /nfs/dbraw/zinc/14/85/61/814148561.db2.gz NEFIAKOQEDNTNL-HIFRSBDPSA-N 2 1 288.407 2.261 20 0 CEADMP CC(C)CC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001100676341 814170408 /nfs/dbraw/zinc/17/04/08/814170408.db2.gz LIDAZFOVAIDAPO-FHERZECASA-N 2 1 295.471 2.001 20 0 CEADMP CC(C)OC1CCC([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246592880 814184332 /nfs/dbraw/zinc/18/43/32/814184332.db2.gz WEBLVOVYYBRZDE-CVSAEHQPSA-N 2 1 272.408 2.484 20 0 CEADMP CC(C)OC1CCC([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246592880 814184334 /nfs/dbraw/zinc/18/43/34/814184334.db2.gz WEBLVOVYYBRZDE-CVSAEHQPSA-N 2 1 272.408 2.484 20 0 CEADMP CCOC(=O)[C@@]1(C)CCCC[N@H+]([C@@H](C)CC[NH2+]C)C1 ZINC001246595294 814190144 /nfs/dbraw/zinc/19/01/44/814190144.db2.gz YVFJVWUGYFREHZ-ZFWWWQNUSA-N 2 1 270.417 2.040 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC(C)C)C1 ZINC001091378817 814224196 /nfs/dbraw/zinc/22/41/96/814224196.db2.gz UXDYCXJRNUJFOU-GPANFISMSA-N 2 1 295.471 2.001 20 0 CEADMP C[N@H+](C1CCC2(CC[NH2+]CC2)CC1)[C@@]1(C)CCCNC1 ZINC001246905914 814368184 /nfs/dbraw/zinc/36/81/84/814368184.db2.gz AUMQPKWPQIOVPJ-INIZCTEOSA-N 2 1 279.472 2.373 20 0 CEADMP C[N@@H+](C1CCC2(CC[NH2+]CC2)CC1)[C@@]1(C)CCCNC1 ZINC001246905914 814368188 /nfs/dbraw/zinc/36/81/88/814368188.db2.gz AUMQPKWPQIOVPJ-INIZCTEOSA-N 2 1 279.472 2.373 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(C)C ZINC001147359394 814428600 /nfs/dbraw/zinc/42/86/00/814428600.db2.gz QKVAJRJIYTVJRK-OAHLLOKOSA-N 2 1 283.460 2.003 20 0 CEADMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(C)C)C[C@H]1C ZINC001103612557 814512339 /nfs/dbraw/zinc/51/23/39/814512339.db2.gz ITGDPDXKRHRLER-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C ZINC001103612557 814512345 /nfs/dbraw/zinc/51/23/45/814512345.db2.gz ITGDPDXKRHRLER-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103612557 814512350 /nfs/dbraw/zinc/51/23/50/814512350.db2.gz ITGDPDXKRHRLER-HZPDHXFCSA-N 2 1 297.487 2.058 20 0 CEADMP Cc1cc2[nH+]ccn2cc1-n1cc2ccc(C[NH3+])cc2n1 ZINC001171325218 814546046 /nfs/dbraw/zinc/54/60/46/814546046.db2.gz ZJSVBWYLTSVGCT-UHFFFAOYSA-N 2 1 277.331 2.440 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](C(C)C)C2 ZINC001111950830 814634464 /nfs/dbraw/zinc/63/44/64/814634464.db2.gz CPUSVQFOTZLSNO-RDJZCZTQSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC001111950830 814634469 /nfs/dbraw/zinc/63/44/69/814634469.db2.gz CPUSVQFOTZLSNO-RDJZCZTQSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](C(C)C)C2 ZINC001111950830 814634472 /nfs/dbraw/zinc/63/44/72/814634472.db2.gz CPUSVQFOTZLSNO-RDJZCZTQSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H]2CO)CC1 ZINC001173108319 815582671 /nfs/dbraw/zinc/58/26/71/815582671.db2.gz BJLLARDTOKVXLC-NRXISQOPSA-N 2 1 254.418 2.096 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H](O)C[C@H]2C)CC1 ZINC001173109960 815582680 /nfs/dbraw/zinc/58/26/80/815582680.db2.gz MCNWOVDIIQZJHQ-URGYJCLVSA-N 2 1 254.418 2.095 20 0 CEADMP CC[NH+](CC)C1CCC([N@H+]2CCCN(C(C)=O)CC2)CC1 ZINC001173108407 815582878 /nfs/dbraw/zinc/58/28/78/815582878.db2.gz JLICGIICVOOOQL-UHFFFAOYSA-N 2 1 295.471 2.194 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCC3(CCC3)O2)C[C@H]1C(F)(F)F ZINC000712485323 814749877 /nfs/dbraw/zinc/74/98/77/814749877.db2.gz MQZAYQLZQCJCEE-GRYCIOLGSA-N 2 1 292.345 2.157 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)C[C@H]1C(F)(F)F ZINC000712485323 814749881 /nfs/dbraw/zinc/74/98/81/814749881.db2.gz MQZAYQLZQCJCEE-GRYCIOLGSA-N 2 1 292.345 2.157 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC001116293816 814844262 /nfs/dbraw/zinc/84/42/62/814844262.db2.gz YQYNVKYVRRANAL-LSDHHAIUSA-N 3 1 267.461 2.038 20 0 CEADMP CCN1CCC[C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC001116293816 814844266 /nfs/dbraw/zinc/84/42/66/814844266.db2.gz YQYNVKYVRRANAL-LSDHHAIUSA-N 2 1 267.461 2.038 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCOC(F)(F)F)C[C@H]1C[NH3+] ZINC000713420507 814851637 /nfs/dbraw/zinc/85/16/37/814851637.db2.gz IFSWEQRPQDWVMM-GMTAPVOTSA-N 2 1 268.323 2.218 20 0 CEADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2c[nH]nc2C)C1 ZINC001116498409 814858613 /nfs/dbraw/zinc/85/86/13/814858613.db2.gz MBWLAJDFTYSGMZ-DGCLKSJQSA-N 2 1 250.390 2.101 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2c[nH]nc2C)C1 ZINC001116498409 814858616 /nfs/dbraw/zinc/85/86/16/814858616.db2.gz MBWLAJDFTYSGMZ-DGCLKSJQSA-N 2 1 250.390 2.101 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000713590986 814865331 /nfs/dbraw/zinc/86/53/31/814865331.db2.gz GBXGGJASJBVCRY-HZSPNIEDSA-N 2 1 254.418 2.108 20 0 CEADMP CC[N@H+]1CC[C@@H](N2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001173364620 815703499 /nfs/dbraw/zinc/70/34/99/815703499.db2.gz XNMBRXJBRKXUIX-DLBZAZTESA-N 2 1 279.472 2.421 20 0 CEADMP CC[N@@H+]1CC[C@H](N2CCC(C3CC[NH+](C)CC3)CC2)C1 ZINC001173365364 815703507 /nfs/dbraw/zinc/70/35/07/815703507.db2.gz GORAISOVPFPTPN-KRWDZBQOSA-N 2 1 279.472 2.134 20 0 CEADMP CC[N@H+]1CC[C@H](N2CCC(C3CC[NH+](C)CC3)CC2)C1 ZINC001173365364 815703511 /nfs/dbraw/zinc/70/35/11/815703511.db2.gz GORAISOVPFPTPN-KRWDZBQOSA-N 2 1 279.472 2.134 20 0 CEADMP COC(=O)c1ccc(C[C@H](C)[N@@H+](CCC[NH3+])C(C)C)cc1 ZINC001173709660 815798743 /nfs/dbraw/zinc/79/87/43/815798743.db2.gz PTLVVWNAQLYROR-AWEZNQCLSA-N 2 1 292.423 2.463 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)cc1 ZINC001138545008 815822560 /nfs/dbraw/zinc/82/25/60/815822560.db2.gz QGHWQCNTKBSLLU-SUMWQHHRSA-N 2 1 285.391 2.383 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)cc1 ZINC001138545008 815822572 /nfs/dbraw/zinc/82/25/72/815822572.db2.gz QGHWQCNTKBSLLU-SUMWQHHRSA-N 2 1 285.391 2.383 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001138543978 815823275 /nfs/dbraw/zinc/82/32/75/815823275.db2.gz AJNBQBMTMAJSHH-MRXNPFEDSA-N 2 1 271.364 2.137 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H]2CO)cc1 ZINC001138543978 815823282 /nfs/dbraw/zinc/82/32/82/815823282.db2.gz AJNBQBMTMAJSHH-MRXNPFEDSA-N 2 1 271.364 2.137 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001138547790 815824816 /nfs/dbraw/zinc/82/48/16/815824816.db2.gz VJBHDBKLDLVCKQ-SFHVURJKSA-N 2 1 296.418 2.461 20 0 CEADMP Cc1[nH+]ccn1-c1ccc(CN2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001138547790 815824825 /nfs/dbraw/zinc/82/48/25/815824825.db2.gz VJBHDBKLDLVCKQ-SFHVURJKSA-N 2 1 296.418 2.461 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cnc4[nH]ccc4c3)C[C@H]2C1 ZINC001138739733 815884529 /nfs/dbraw/zinc/88/45/29/815884529.db2.gz FAKRBKZXAITZCT-HZPDHXFCSA-N 2 1 284.407 2.337 20 0 CEADMP C[NH+](C)CCn1cc(Nc2cc[nH+]c3ccccc23)cn1 ZINC001174037443 815904121 /nfs/dbraw/zinc/90/41/21/815904121.db2.gz VAIPABGHDCAENB-UHFFFAOYSA-N 2 1 281.363 2.158 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cccc(CN3CCOCC3)c2)C[C@@H]1F ZINC001139052723 815951404 /nfs/dbraw/zinc/95/14/04/815951404.db2.gz LXEISPIJGVUKLQ-PBHICJAKSA-N 2 1 292.398 2.309 20 0 CEADMP C[C@@H]1CN(Cc2cccc(CN3CCOCC3)c2)C[C@@H]1F ZINC001139052723 815951410 /nfs/dbraw/zinc/95/14/10/815951410.db2.gz LXEISPIJGVUKLQ-PBHICJAKSA-N 2 1 292.398 2.309 20 0 CEADMP Cc1nc2cc(C)ccn2c1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001139678979 816080476 /nfs/dbraw/zinc/08/04/76/816080476.db2.gz SHGHJEKBLPQGSH-CVEARBPZSA-N 2 1 298.434 2.335 20 0 CEADMP Cc1nc2cc(C)ccn2c1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001139678979 816080481 /nfs/dbraw/zinc/08/04/81/816080481.db2.gz SHGHJEKBLPQGSH-CVEARBPZSA-N 2 1 298.434 2.335 20 0 CEADMP Cc1nc2cc(C)ccn2c1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001139678979 816080490 /nfs/dbraw/zinc/08/04/90/816080490.db2.gz SHGHJEKBLPQGSH-CVEARBPZSA-N 2 1 298.434 2.335 20 0 CEADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4cnn(C)c4c3)C[C@H]2C1 ZINC001139911112 816138751 /nfs/dbraw/zinc/13/87/51/816138751.db2.gz JCBSIKSZAYQWBF-IAGOWNOFSA-N 2 1 298.434 2.347 20 0 CEADMP Cc1cc(NC2=CCC[N@H+](C)C2)n(-c2cc[nH+]cc2)n1 ZINC001175577074 816240925 /nfs/dbraw/zinc/24/09/25/816240925.db2.gz PVMCEZPQTCREGL-UHFFFAOYSA-N 2 1 269.352 2.207 20 0 CEADMP C[NH+]1CCN(c2ccc(NC3=CCC[N@@H+](C)C3)cc2)CC1 ZINC001175576648 816241474 /nfs/dbraw/zinc/24/14/74/816241474.db2.gz OFAUXBKHZFXUQB-UHFFFAOYSA-N 2 1 286.423 2.070 20 0 CEADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CC2CCCCCC2)C1 ZINC001176056351 816343749 /nfs/dbraw/zinc/34/37/49/816343749.db2.gz GVLHCHDPHLQNDH-INIZCTEOSA-N 2 1 295.471 2.004 20 0 CEADMP Cn1cnc2cc(C[N@H+]3CCCC[C@H](C[NH3+])C3)ccc21 ZINC001206622539 816355776 /nfs/dbraw/zinc/35/57/76/816355776.db2.gz FHWHMGFXGZWNNQ-CQSZACIVSA-N 2 1 272.396 2.134 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001140805236 816367326 /nfs/dbraw/zinc/36/73/26/816367326.db2.gz XLTQNQXHIBZMNF-IAQYHMDHSA-N 2 1 257.337 2.174 20 0 CEADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001140805236 816367333 /nfs/dbraw/zinc/36/73/33/816367333.db2.gz XLTQNQXHIBZMNF-IAQYHMDHSA-N 2 1 257.337 2.174 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3c[nH]c4ccncc34)C2)CC1 ZINC001140805119 816369522 /nfs/dbraw/zinc/36/95/22/816369522.db2.gz SKXUQQYTJKXQEL-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC2(CC[N@H+](Cc3cnc4cc[nH]cc3-4)C2)CC1 ZINC001140805119 816369525 /nfs/dbraw/zinc/36/95/25/816369525.db2.gz SKXUQQYTJKXQEL-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3cnc4cc[nH]cc3-4)C2)CC1 ZINC001140805119 816369534 /nfs/dbraw/zinc/36/95/34/816369534.db2.gz SKXUQQYTJKXQEL-UHFFFAOYSA-N 2 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)CC1 ZINC001140805119 816369539 /nfs/dbraw/zinc/36/95/39/816369539.db2.gz SKXUQQYTJKXQEL-UHFFFAOYSA-N 3 1 284.407 2.481 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)CC1 ZINC001140805119 816369545 /nfs/dbraw/zinc/36/95/45/816369545.db2.gz SKXUQQYTJKXQEL-UHFFFAOYSA-N 3 1 284.407 2.481 20 0 CEADMP O=C1CCC2(CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)O1 ZINC001140807385 816370206 /nfs/dbraw/zinc/37/02/06/816370206.db2.gz XPGBLBDSLCVUNN-UHFFFAOYSA-N 2 1 285.347 2.235 20 0 CEADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001176284487 816377705 /nfs/dbraw/zinc/37/77/05/816377705.db2.gz IICNMZQHTSRIPI-HNNXBMFYSA-N 2 1 297.487 2.393 20 0 CEADMP CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC ZINC001176268553 816385581 /nfs/dbraw/zinc/38/55/81/816385581.db2.gz KWIUHWZLTIVLRE-CQSZACIVSA-N 2 1 271.449 2.003 20 0 CEADMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001176753986 816472791 /nfs/dbraw/zinc/47/27/91/816472791.db2.gz OYNMJGLXLXXBML-OAHLLOKOSA-N 2 1 297.487 2.391 20 0 CEADMP COc1ccc2nccc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c2c1 ZINC001141151228 816489363 /nfs/dbraw/zinc/48/93/63/816489363.db2.gz DKRYSBOEPQMLJL-GASCZTMLSA-N 2 1 297.402 2.237 20 0 CEADMP COc1ccc2nccc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)c2c1 ZINC001141151228 816489365 /nfs/dbraw/zinc/48/93/65/816489365.db2.gz DKRYSBOEPQMLJL-GASCZTMLSA-N 2 1 297.402 2.237 20 0 CEADMP COc1ccc2nccc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)c2c1 ZINC001141151228 816489369 /nfs/dbraw/zinc/48/93/69/816489369.db2.gz DKRYSBOEPQMLJL-GASCZTMLSA-N 2 1 297.402 2.237 20 0 CEADMP C[C@H](c1ccccn1)[N@H+]1CC[C@@H](OCCC[NH+](C)C)C1 ZINC001206295551 816532292 /nfs/dbraw/zinc/53/22/92/816532292.db2.gz GVTWNQBKACJWJK-HUUCEWRRSA-N 2 1 277.412 2.185 20 0 CEADMP COc1ncccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304961 816572056 /nfs/dbraw/zinc/57/20/56/816572056.db2.gz SCKGKVBMWOPQTL-OAHLLOKOSA-N 2 1 263.385 2.041 20 0 CEADMP CCCn1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cn1 ZINC001206305430 816580467 /nfs/dbraw/zinc/58/04/67/816580467.db2.gz ZGRJQSFOIMZDRE-OAHLLOKOSA-N 2 1 264.417 2.244 20 0 CEADMP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC001177724625 816606246 /nfs/dbraw/zinc/60/62/46/816606246.db2.gz DZMLRHZZVAXLQL-HUUCEWRRSA-N 2 1 266.429 2.410 20 0 CEADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001203122276 816686019 /nfs/dbraw/zinc/68/60/19/816686019.db2.gz VZWOBPVSKCYOBP-OAHLLOKOSA-N 2 1 284.363 2.142 20 0 CEADMP Cc1ncc(F)cc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206318971 816700681 /nfs/dbraw/zinc/70/06/81/816700681.db2.gz WJTQADUFQJAMFV-HNNXBMFYSA-N 2 1 265.376 2.480 20 0 CEADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3ccccn3n2)CC1 ZINC001206326568 816727185 /nfs/dbraw/zinc/72/71/85/816727185.db2.gz PGISNESRXLTEOG-MRXNPFEDSA-N 2 1 272.396 2.285 20 0 CEADMP CCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001179534194 816869703 /nfs/dbraw/zinc/86/97/03/816869703.db2.gz AKXIYCJUZQCMEC-PMPSAXMXSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+](C)[C@@H](C[NH2+][C@H]1CCOC2(CCC2)C1)C1CC1 ZINC000449087315 282095143 /nfs/dbraw/zinc/09/51/43/282095143.db2.gz FVYFCWPTBBQXQC-KBPBESRZSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000567638780 299069782 /nfs/dbraw/zinc/06/97/82/299069782.db2.gz CUWDVBZDLUIFAT-BXUZGUMPSA-N 2 1 275.396 2.205 20 0 CEADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000449123092 282108896 /nfs/dbraw/zinc/10/88/96/282108896.db2.gz MPDUKBTZJKHRTC-DZGCQCFKSA-N 2 1 295.471 2.144 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2OC(F)F)CC1 ZINC000337528596 214140070 /nfs/dbraw/zinc/14/00/70/214140070.db2.gz BYLTZBAOMZKMLT-RYUDHWBXSA-N 2 1 262.344 2.221 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000337530767 214142541 /nfs/dbraw/zinc/14/25/41/214142541.db2.gz UYTDIQJHXSBLHA-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1CCC1 ZINC000449133750 282113544 /nfs/dbraw/zinc/11/35/44/282113544.db2.gz ZQMQIYJQGYLYHK-QGZVFWFLSA-N 2 1 281.488 2.428 20 0 CEADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000313054378 282118202 /nfs/dbraw/zinc/11/82/02/282118202.db2.gz RZGBLOANPFFNGL-KBPBESRZSA-N 2 1 254.418 2.002 20 0 CEADMP Cc1noc([C@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000124980685 187164110 /nfs/dbraw/zinc/16/41/10/187164110.db2.gz QDLBPEVJZYYYHW-KBPBESRZSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1noc([C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000124980685 187164111 /nfs/dbraw/zinc/16/41/11/187164111.db2.gz QDLBPEVJZYYYHW-KBPBESRZSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1noc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000124980685 187164112 /nfs/dbraw/zinc/16/41/12/187164112.db2.gz QDLBPEVJZYYYHW-KBPBESRZSA-N 2 1 278.400 2.042 20 0 CEADMP Cc1noc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000124980685 187164113 /nfs/dbraw/zinc/16/41/13/187164113.db2.gz QDLBPEVJZYYYHW-KBPBESRZSA-N 2 1 278.400 2.042 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000122765085 365630540 /nfs/dbraw/zinc/63/05/40/365630540.db2.gz XHKXJXZWNMWRHE-YJBOKZPZSA-N 2 1 288.435 2.449 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000122765085 365630548 /nfs/dbraw/zinc/63/05/48/365630548.db2.gz XHKXJXZWNMWRHE-YJBOKZPZSA-N 2 1 288.435 2.449 20 0 CEADMP C[C@@H](Cc1ccoc1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000449151022 282120999 /nfs/dbraw/zinc/12/09/99/282120999.db2.gz VEWJOGCYIRTYNY-GOEBONIOSA-N 2 1 280.412 2.037 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)oc1C ZINC000336562201 365649307 /nfs/dbraw/zinc/64/93/07/365649307.db2.gz CNCQOYKZJPVNBA-AWEZNQCLSA-N 2 1 263.385 2.113 20 0 CEADMP CN(CC[C@@H]1CCC[N@H+]1C)CC[C@@H]1CCCC[NH+]1C ZINC000125273220 365671000 /nfs/dbraw/zinc/67/10/00/365671000.db2.gz RXCARGBCMFZTHP-HOTGVXAUSA-N 2 1 267.461 2.277 20 0 CEADMP CN(CC[C@@H]1CCC[NH+]1C)CC[C@@H]1CCCC[N@@H+]1C ZINC000125273220 365671006 /nfs/dbraw/zinc/67/10/06/365671006.db2.gz RXCARGBCMFZTHP-HOTGVXAUSA-N 2 1 267.461 2.277 20 0 CEADMP CN(CC[C@@H]1CCC[NH+]1C)CC[C@@H]1CCCC[N@H+]1C ZINC000125273220 365671012 /nfs/dbraw/zinc/67/10/12/365671012.db2.gz RXCARGBCMFZTHP-HOTGVXAUSA-N 2 1 267.461 2.277 20 0 CEADMP CCCCNC(=O)C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000125131835 187171312 /nfs/dbraw/zinc/17/13/12/187171312.db2.gz HJCZPYISDFVGIQ-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000313054379 282133459 /nfs/dbraw/zinc/13/34/59/282133459.db2.gz RZGBLOANPFFNGL-KGLIPLIRSA-N 2 1 254.418 2.002 20 0 CEADMP CC1(C)CC[C@H](CO)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000621381274 349588139 /nfs/dbraw/zinc/58/81/39/349588139.db2.gz PQXGOHMBKAXVNQ-OAHLLOKOSA-N 2 1 268.445 2.345 20 0 CEADMP Cc1ccc(NCCC[NH2+]C[C@H](O)CC2CCCC2)[nH+]c1 ZINC000567685016 299075219 /nfs/dbraw/zinc/07/52/19/299075219.db2.gz TYUGYDMYNWLZSX-MRXNPFEDSA-N 2 1 291.439 2.145 20 0 CEADMP CC[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](CC)C2)C1 ZINC000125489129 187187022 /nfs/dbraw/zinc/18/70/22/187187022.db2.gz XRRGVLMGICSKPE-IYBDPMFKSA-N 2 1 268.445 2.467 20 0 CEADMP CC[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](CC)C2)C1 ZINC000125489129 187187023 /nfs/dbraw/zinc/18/70/23/187187023.db2.gz XRRGVLMGICSKPE-IYBDPMFKSA-N 2 1 268.445 2.467 20 0 CEADMP CC[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](CC)C2)C1 ZINC000125489129 187187024 /nfs/dbraw/zinc/18/70/24/187187024.db2.gz XRRGVLMGICSKPE-IYBDPMFKSA-N 2 1 268.445 2.467 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOCC1(C)C ZINC000125484584 187187409 /nfs/dbraw/zinc/18/74/09/187187409.db2.gz WYUHZRBSCCGYSO-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOCC1(C)C ZINC000125484584 187187410 /nfs/dbraw/zinc/18/74/10/187187410.db2.gz WYUHZRBSCCGYSO-UHFFFAOYSA-N 2 1 251.374 2.083 20 0 CEADMP C[C@@H]1CCC[C@](C[NH2+]C2CCOCC2)([NH+](C)C)C1 ZINC000040668749 361995634 /nfs/dbraw/zinc/99/56/34/361995634.db2.gz LCHRCTRUIDOSTA-HIFRSBDPSA-N 2 1 254.418 2.266 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337997080 214351445 /nfs/dbraw/zinc/35/14/45/214351445.db2.gz JTBPVHJDRIYCKD-JKSUJKDBSA-N 2 1 266.429 2.266 20 0 CEADMP Cc1nc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cs1 ZINC000125526590 187189349 /nfs/dbraw/zinc/18/93/49/187189349.db2.gz ADWIAPYOYDSQSG-HIFRSBDPSA-N 2 1 279.453 2.410 20 0 CEADMP Cc1nc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cs1 ZINC000125526590 187189350 /nfs/dbraw/zinc/18/93/50/187189350.db2.gz ADWIAPYOYDSQSG-HIFRSBDPSA-N 2 1 279.453 2.410 20 0 CEADMP Cc1nc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cs1 ZINC000125526590 187189351 /nfs/dbraw/zinc/18/93/51/187189351.db2.gz ADWIAPYOYDSQSG-HIFRSBDPSA-N 2 1 279.453 2.410 20 0 CEADMP C[C@@H](C(=O)NCC[NH+]1CCCC[C@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338002908 214352566 /nfs/dbraw/zinc/35/25/66/214352566.db2.gz SPIDQIHSIOARRZ-WCVJEAGWSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338002908 214352569 /nfs/dbraw/zinc/35/25/69/214352569.db2.gz SPIDQIHSIOARRZ-WCVJEAGWSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338002908 214352572 /nfs/dbraw/zinc/35/25/72/214352572.db2.gz SPIDQIHSIOARRZ-WCVJEAGWSA-N 2 1 295.471 2.238 20 0 CEADMP OC[C@H](CC1CCCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000338020739 214364467 /nfs/dbraw/zinc/36/44/67/214364467.db2.gz NTDIMFGAFLTCHD-HRCADAONSA-N 2 1 266.429 2.144 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000621649506 349650246 /nfs/dbraw/zinc/65/02/46/349650246.db2.gz KDJVNADTYOKZBR-OAGGEKHMSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000449307491 282181271 /nfs/dbraw/zinc/18/12/71/282181271.db2.gz ZWOQWLYNBJIJLM-OWCLPIDISA-N 2 1 281.488 2.427 20 0 CEADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000226581723 539172766 /nfs/dbraw/zinc/17/27/66/539172766.db2.gz RWWCLPINVWTSKG-RDBSUJKOSA-N 2 1 252.402 2.160 20 0 CEADMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000226581723 539172767 /nfs/dbraw/zinc/17/27/67/539172767.db2.gz RWWCLPINVWTSKG-RDBSUJKOSA-N 2 1 252.402 2.160 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnc(C)s2)C1 ZINC000090403346 539184006 /nfs/dbraw/zinc/18/40/06/539184006.db2.gz GYMMSGSKYNPHNN-CMPLNLGQSA-N 2 1 253.415 2.444 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnc(C)s2)C1 ZINC000090403346 539184008 /nfs/dbraw/zinc/18/40/08/539184008.db2.gz GYMMSGSKYNPHNN-CMPLNLGQSA-N 2 1 253.415 2.444 20 0 CEADMP CCc1noc(C)c1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567723967 299081968 /nfs/dbraw/zinc/08/19/68/299081968.db2.gz KLBNUJVIRMHWGV-CMPLNLGQSA-N 2 1 251.374 2.023 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCCOc1ccc(F)cc1)C2 ZINC000621778916 349700543 /nfs/dbraw/zinc/70/05/43/349700543.db2.gz XCWBGPFNKNIWCF-CJNGLKHVSA-N 2 1 278.371 2.408 20 0 CEADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCCOc1ccc(F)cc1)C2 ZINC000621778916 349700545 /nfs/dbraw/zinc/70/05/45/349700545.db2.gz XCWBGPFNKNIWCF-CJNGLKHVSA-N 2 1 278.371 2.408 20 0 CEADMP CO[C@H](C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1)C1CCCCC1 ZINC000621784250 349702275 /nfs/dbraw/zinc/70/22/75/349702275.db2.gz LWEBNTUBHYXWKQ-BZUAXINKSA-N 2 1 266.429 2.395 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C2([NH3+])CCC2)cc1 ZINC000449359502 282199833 /nfs/dbraw/zinc/19/98/33/282199833.db2.gz FJXNKBPPVLCKCT-LBPRGKRZSA-N 2 1 298.390 2.239 20 0 CEADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449364735 282201674 /nfs/dbraw/zinc/20/16/74/282201674.db2.gz OLSOSYOMWUFSHP-OWCLPIDISA-N 2 1 295.471 2.227 20 0 CEADMP CC[C@H](COCC(F)(F)F)[NH2+]C1CC[NH+](CC)CC1 ZINC000449382271 282207247 /nfs/dbraw/zinc/20/72/47/282207247.db2.gz WECFNWRZVLMPQZ-LLVKDONJSA-N 2 1 282.350 2.418 20 0 CEADMP CC[NH+](CC)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000081396845 539264878 /nfs/dbraw/zinc/26/48/78/539264878.db2.gz QPIBLYDOOXVOCZ-AWEZNQCLSA-N 2 1 294.443 2.243 20 0 CEADMP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H](O)C(C)C ZINC000414518432 529637700 /nfs/dbraw/zinc/63/77/00/529637700.db2.gz BFMMOSVBXGQHAX-GXTWGEPZSA-N 2 1 285.457 2.090 20 0 CEADMP CC[C@H](C)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000357420799 529667985 /nfs/dbraw/zinc/66/79/85/529667985.db2.gz OKDMPSVYAOQDIJ-AWEZNQCLSA-N 2 1 254.418 2.267 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000622136546 349800879 /nfs/dbraw/zinc/80/08/79/349800879.db2.gz IGXQBHQHFHDCTM-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000622136546 349800882 /nfs/dbraw/zinc/80/08/82/349800882.db2.gz IGXQBHQHFHDCTM-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000622136546 349800884 /nfs/dbraw/zinc/80/08/84/349800884.db2.gz IGXQBHQHFHDCTM-LSDHHAIUSA-N 2 1 295.471 2.240 20 0 CEADMP CC1(C[NH2+]CC2([NH+]3CCCC3)CCOCC2)CCC1 ZINC000434775493 539299155 /nfs/dbraw/zinc/29/91/55/539299155.db2.gz NMIQLUMAVDUMGV-UHFFFAOYSA-N 2 1 266.429 2.411 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449508049 282263400 /nfs/dbraw/zinc/26/34/00/282263400.db2.gz MSVBSAKFHPTBRN-DOTOQJQBSA-N 2 1 289.423 2.034 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC000351226044 219085941 /nfs/dbraw/zinc/08/59/41/219085941.db2.gz MDBRLOLDGNQBDK-INIZCTEOSA-N 2 1 278.444 2.109 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC000351226044 219085944 /nfs/dbraw/zinc/08/59/44/219085944.db2.gz MDBRLOLDGNQBDK-INIZCTEOSA-N 2 1 278.444 2.109 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2cnn(CC)c2)C1 ZINC000351226044 219085946 /nfs/dbraw/zinc/08/59/46/219085946.db2.gz MDBRLOLDGNQBDK-INIZCTEOSA-N 2 1 278.444 2.109 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cnn(CC)c2)C1 ZINC000351226044 219085949 /nfs/dbraw/zinc/08/59/49/219085949.db2.gz MDBRLOLDGNQBDK-INIZCTEOSA-N 2 1 278.444 2.109 20 0 CEADMP Cc1nc2ccccn2c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044533137 343474283 /nfs/dbraw/zinc/47/42/83/343474283.db2.gz GZJNMWODIWADRX-CQSZACIVSA-N 2 1 272.396 2.074 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000351266845 219088859 /nfs/dbraw/zinc/08/88/59/219088859.db2.gz FSOASJYHRBLNHY-DOTOQJQBSA-N 2 1 296.455 2.131 20 0 CEADMP C[N@@H+](CCN[C@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCC1 ZINC000128037771 365772324 /nfs/dbraw/zinc/77/23/24/365772324.db2.gz RSMPBMDSEKHIOW-GOEBONIOSA-N 2 1 265.445 2.077 20 0 CEADMP C[NH+](CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000128037771 365772331 /nfs/dbraw/zinc/77/23/31/365772331.db2.gz RSMPBMDSEKHIOW-GOEBONIOSA-N 2 1 265.445 2.077 20 0 CEADMP C[NH+](CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000128037771 365772338 /nfs/dbraw/zinc/77/23/38/365772338.db2.gz RSMPBMDSEKHIOW-GOEBONIOSA-N 2 1 265.445 2.077 20 0 CEADMP CSC[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000336722224 365784512 /nfs/dbraw/zinc/78/45/12/365784512.db2.gz ZUWHQHYBCDTEBX-ZDUSSCGKSA-N 2 1 253.415 2.409 20 0 CEADMP CSC[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000336722224 365784520 /nfs/dbraw/zinc/78/45/20/365784520.db2.gz ZUWHQHYBCDTEBX-ZDUSSCGKSA-N 2 1 253.415 2.409 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCOC1 ZINC000128551658 365796005 /nfs/dbraw/zinc/79/60/05/365796005.db2.gz FGPXUVXXUZATGR-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP Cc1ccccc1OCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351491322 219104852 /nfs/dbraw/zinc/10/48/52/219104852.db2.gz JNEJZQXYHLLPTD-ARFHVFGLSA-N 2 1 274.408 2.433 20 0 CEADMP COC(=O)c1coc([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000602022005 346962668 /nfs/dbraw/zinc/96/26/68/346962668.db2.gz QXNOHAIUBZTJFQ-DGCLKSJQSA-N 2 1 294.395 2.495 20 0 CEADMP Cc1cccnc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000295077502 199333189 /nfs/dbraw/zinc/33/31/89/199333189.db2.gz RREOQNVIHFLFLC-LSDHHAIUSA-N 2 1 259.397 2.149 20 0 CEADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000075836600 343868817 /nfs/dbraw/zinc/86/88/17/343868817.db2.gz RQZVWTGHIFVTNF-QGZVFWFLSA-N 2 1 290.455 2.308 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000075836600 343868818 /nfs/dbraw/zinc/86/88/18/343868818.db2.gz RQZVWTGHIFVTNF-QGZVFWFLSA-N 2 1 290.455 2.308 20 0 CEADMP CC(C)C[NH+]1CCC(Nc2cc[nH+]c(N(C)C)n2)CC1 ZINC000077487470 343922040 /nfs/dbraw/zinc/92/20/40/343922040.db2.gz QTHVIGBFTPTSFO-UHFFFAOYSA-N 2 1 277.416 2.075 20 0 CEADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)s1 ZINC000049182969 362345397 /nfs/dbraw/zinc/34/53/97/362345397.db2.gz MPOMKUHVOVGHGL-QWHCGFSZSA-N 2 1 268.426 2.164 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000085298686 344093693 /nfs/dbraw/zinc/09/36/93/344093693.db2.gz WHRLPECCIQUGLH-FQEVSTJZSA-N 2 1 294.464 2.388 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000090911890 344146434 /nfs/dbraw/zinc/14/64/34/344146434.db2.gz SWHMCDHPSFXBPT-CJNGLKHVSA-N 2 1 289.423 2.443 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000090911890 344146436 /nfs/dbraw/zinc/14/64/36/344146436.db2.gz SWHMCDHPSFXBPT-CJNGLKHVSA-N 2 1 289.423 2.443 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccccc2Cl)CC1 ZINC000105476843 344256863 /nfs/dbraw/zinc/25/68/63/344256863.db2.gz YBUGUODGPUFUTN-UHFFFAOYSA-N 2 1 295.858 2.457 20 0 CEADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000130530027 344353509 /nfs/dbraw/zinc/35/35/09/344353509.db2.gz FVMSJFKULQGCSO-DZGCQCFKSA-N 2 1 262.397 2.255 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000151115666 344419933 /nfs/dbraw/zinc/41/99/33/344419933.db2.gz GXACGXXPSQHCGL-ZDUSSCGKSA-N 2 1 289.414 2.037 20 0 CEADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccnn1C ZINC000192873696 344517688 /nfs/dbraw/zinc/51/76/88/344517688.db2.gz SKWQPMUZHGNFGT-OCCSQVGLSA-N 2 1 266.433 2.437 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(F)c1 ZINC000228620306 344562402 /nfs/dbraw/zinc/56/24/02/344562402.db2.gz YCGBLKKDKGDMJX-LBPRGKRZSA-N 2 1 266.360 2.395 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000051631378 362432860 /nfs/dbraw/zinc/43/28/60/362432860.db2.gz PXTLRHYWEFFBKI-MRXNPFEDSA-N 2 1 255.365 2.339 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000263240559 344655970 /nfs/dbraw/zinc/65/59/70/344655970.db2.gz GARHXVLUTACXLW-ZBFHGGJFSA-N 2 1 291.439 2.171 20 0 CEADMP CC[NH+](CC)CCCN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249081379 344627968 /nfs/dbraw/zinc/62/79/68/344627968.db2.gz ADPKZRDQRNOLKB-LSDHHAIUSA-N 2 1 255.450 2.133 20 0 CEADMP C[C@@H]1CSCC[NH+]1C/C=C\C[N@@H+]1CCSC[C@@H]1C ZINC000255112321 344645836 /nfs/dbraw/zinc/64/58/36/344645836.db2.gz ITQIDVQZONFQRF-LQOBQMSGSA-N 2 1 286.510 2.417 20 0 CEADMP C[C@@H]1CSCC[N@H+]1C/C=C\C[NH+]1CCSC[C@@H]1C ZINC000255112321 344645839 /nfs/dbraw/zinc/64/58/39/344645839.db2.gz ITQIDVQZONFQRF-LQOBQMSGSA-N 2 1 286.510 2.417 20 0 CEADMP C[C@@H]1CSCC[N@@H+]1C/C=C\C[NH+]1CCSC[C@@H]1C ZINC000255112321 344645840 /nfs/dbraw/zinc/64/58/40/344645840.db2.gz ITQIDVQZONFQRF-LQOBQMSGSA-N 2 1 286.510 2.417 20 0 CEADMP COC(=O)c1csc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000602518799 347064705 /nfs/dbraw/zinc/06/47/05/347064705.db2.gz SNOPQJGGQFEEGN-LBPRGKRZSA-N 2 1 296.436 2.356 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC000312001302 344736891 /nfs/dbraw/zinc/73/68/91/344736891.db2.gz UQLTVYNUPAXTIO-HNNXBMFYSA-N 2 1 268.445 2.248 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC000312001302 344736894 /nfs/dbraw/zinc/73/68/94/344736894.db2.gz UQLTVYNUPAXTIO-HNNXBMFYSA-N 2 1 268.445 2.248 20 0 CEADMP CC1CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000304368244 344707868 /nfs/dbraw/zinc/70/78/68/344707868.db2.gz ZFZCQPNUELSVNC-UYSNPLJNSA-N 2 1 268.445 2.392 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2C#N)C[C@@H]1C[NH3+] ZINC000397391754 344851112 /nfs/dbraw/zinc/85/11/12/344851112.db2.gz NXAZEUSNDQQBRK-IOASZLSFSA-N 2 1 257.381 2.363 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2C#N)C[C@@H]1C[NH3+] ZINC000397391754 344851114 /nfs/dbraw/zinc/85/11/14/344851114.db2.gz NXAZEUSNDQQBRK-IOASZLSFSA-N 2 1 257.381 2.363 20 0 CEADMP COC(C)(C)C[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000404226072 344878528 /nfs/dbraw/zinc/87/85/28/344878528.db2.gz QDKQNTPVUIUPEL-UHFFFAOYSA-N 2 1 262.397 2.189 20 0 CEADMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000404379869 344879998 /nfs/dbraw/zinc/87/99/98/344879998.db2.gz LVTXUFGTOCOQIN-CZUORRHYSA-N 2 1 290.407 2.423 20 0 CEADMP Cc1ccc(C[N@@H+](CCO)CCCc2c[nH+]cn2C)cc1 ZINC000584662508 344974900 /nfs/dbraw/zinc/97/49/00/344974900.db2.gz AHTBQKPINCHDCX-UHFFFAOYSA-N 2 1 287.407 2.156 20 0 CEADMP Cc1ccc(C[N@H+](CCO)CCCc2c[nH+]cn2C)cc1 ZINC000584662508 344974902 /nfs/dbraw/zinc/97/49/02/344974902.db2.gz AHTBQKPINCHDCX-UHFFFAOYSA-N 2 1 287.407 2.156 20 0 CEADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000584767785 344984447 /nfs/dbraw/zinc/98/44/47/344984447.db2.gz IKHIFQLKJBDIAS-SWLSCSKDSA-N 2 1 293.386 2.275 20 0 CEADMP O[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000273236478 192083739 /nfs/dbraw/zinc/08/37/39/192083739.db2.gz XVHBWHMKCYNSBZ-OKZBNKHCSA-N 2 1 288.435 2.197 20 0 CEADMP COCc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000054243290 362519848 /nfs/dbraw/zinc/51/98/48/362519848.db2.gz ALTHSGXOPBBJBC-INIZCTEOSA-N 2 1 262.397 2.264 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335634049 282383863 /nfs/dbraw/zinc/38/38/63/282383863.db2.gz LTFFNAPRYAVJGH-ZIAGYGMSSA-N 2 1 263.385 2.113 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000351628360 219152418 /nfs/dbraw/zinc/15/24/18/219152418.db2.gz JOFDWYFKTPDXNV-GOEBONIOSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000351628360 219152420 /nfs/dbraw/zinc/15/24/20/219152420.db2.gz JOFDWYFKTPDXNV-GOEBONIOSA-N 2 1 279.428 2.455 20 0 CEADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589646972 345092470 /nfs/dbraw/zinc/09/24/70/345092470.db2.gz UBVWGSQMKZFPLG-CYBMUJFWSA-N 2 1 272.396 2.383 20 0 CEADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589646972 345092473 /nfs/dbraw/zinc/09/24/73/345092473.db2.gz UBVWGSQMKZFPLG-CYBMUJFWSA-N 2 1 272.396 2.383 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000273246076 192086066 /nfs/dbraw/zinc/08/60/66/192086066.db2.gz VILPFKVGGVHCIM-INIZCTEOSA-N 2 1 278.440 2.423 20 0 CEADMP Cc1ncccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000590881306 345193531 /nfs/dbraw/zinc/19/35/31/345193531.db2.gz GMEHWCHZIACDOA-UHFFFAOYSA-N 2 1 259.397 2.354 20 0 CEADMP C[C@@H]([NH2+]Cc1cn[nH]c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679721304 539451551 /nfs/dbraw/zinc/45/15/51/539451551.db2.gz LQIHKPRXPYYCCO-TZMCWYRMSA-N 2 1 262.401 2.152 20 0 CEADMP C[C@@H]([NH2+]Cc1cn[nH]c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679721304 539451558 /nfs/dbraw/zinc/45/15/58/539451558.db2.gz LQIHKPRXPYYCCO-TZMCWYRMSA-N 2 1 262.401 2.152 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000273248856 192087656 /nfs/dbraw/zinc/08/76/56/192087656.db2.gz VSRJQMDLWUPFRI-ZDUSSCGKSA-N 2 1 294.443 2.207 20 0 CEADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000037197209 232175412 /nfs/dbraw/zinc/17/54/12/232175412.db2.gz NRQRYYGLLUYZGI-UHFFFAOYSA-N 2 1 287.411 2.149 20 0 CEADMP COC(=O)C[N@@H+](CCCC1CC[NH2+]CC1)C1CCCC1 ZINC000592493502 345360249 /nfs/dbraw/zinc/36/02/49/345360249.db2.gz RHKJCTCQQIIFTQ-UHFFFAOYSA-N 2 1 282.428 2.184 20 0 CEADMP COC(=O)c1coc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000593317708 345466053 /nfs/dbraw/zinc/46/60/53/345466053.db2.gz VMVNNEYQDFUBDX-BXUZGUMPSA-N 2 1 280.368 2.016 20 0 CEADMP COC(=O)c1coc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000593317708 345466056 /nfs/dbraw/zinc/46/60/56/345466056.db2.gz VMVNNEYQDFUBDX-BXUZGUMPSA-N 2 1 280.368 2.016 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)[C@@H]1SC ZINC000593644363 345515704 /nfs/dbraw/zinc/51/57/04/345515704.db2.gz CLONONPPAOODKE-KFWWJZLASA-N 2 1 288.501 2.463 20 0 CEADMP CSCCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594495866 345638491 /nfs/dbraw/zinc/63/84/91/345638491.db2.gz UCFODTCUABFNIR-HNNXBMFYSA-N 2 1 286.485 2.363 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc2c1CCC2 ZINC000623085904 349933544 /nfs/dbraw/zinc/93/35/44/349933544.db2.gz MPCBTCQHSZXUDI-UHFFFAOYSA-N 2 1 255.365 2.241 20 0 CEADMP Cc1nn(C)cc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000148871648 232215073 /nfs/dbraw/zinc/21/50/73/232215073.db2.gz BLRCNMBAOIQQKG-UHFFFAOYSA-N 2 1 278.444 2.473 20 0 CEADMP Cc1nn(C)cc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000148871648 232215075 /nfs/dbraw/zinc/21/50/75/232215075.db2.gz BLRCNMBAOIQQKG-UHFFFAOYSA-N 2 1 278.444 2.473 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000623086011 349933833 /nfs/dbraw/zinc/93/38/33/349933833.db2.gz SJNUXCWXOWIWRG-UHFFFAOYSA-N 2 1 299.296 2.493 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000594917070 345700598 /nfs/dbraw/zinc/70/05/98/345700598.db2.gz GTXHJGQIFDGPNG-RWHKXBQASA-N 2 1 296.455 2.140 20 0 CEADMP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000594915732 345700670 /nfs/dbraw/zinc/70/06/70/345700670.db2.gz BSHQQVXNEMROKX-HZSPNIEDSA-N 2 1 282.428 2.038 20 0 CEADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000594925134 345704391 /nfs/dbraw/zinc/70/43/91/345704391.db2.gz LCSOFYGTXJTORO-MIGQKNRLSA-N 2 1 296.455 2.284 20 0 CEADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000595016216 345727542 /nfs/dbraw/zinc/72/75/42/345727542.db2.gz IPACTARNXWGNOO-GXTWGEPZSA-N 2 1 284.444 2.284 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCOCc2ccccc2)CC[N@H+]1C ZINC000156909567 232237929 /nfs/dbraw/zinc/23/79/29/232237929.db2.gz CPYTXYAIHLSUOI-GOEBONIOSA-N 2 1 262.397 2.276 20 0 CEADMP COCC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccco1 ZINC000273289848 192100261 /nfs/dbraw/zinc/10/02/61/192100261.db2.gz PJIJDIHGVBVVKC-ZDUSSCGKSA-N 2 1 263.341 2.152 20 0 CEADMP CC(C)C[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351717742 219185067 /nfs/dbraw/zinc/18/50/67/219185067.db2.gz OWLOIVZBOMJGOK-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351717742 219185069 /nfs/dbraw/zinc/18/50/69/219185069.db2.gz OWLOIVZBOMJGOK-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351717742 219185072 /nfs/dbraw/zinc/18/50/72/219185072.db2.gz OWLOIVZBOMJGOK-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP CC(C)C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351717742 219185073 /nfs/dbraw/zinc/18/50/73/219185073.db2.gz OWLOIVZBOMJGOK-JKSUJKDBSA-N 2 1 268.445 2.342 20 0 CEADMP Cc1cccc(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)c1C ZINC000062911043 362732570 /nfs/dbraw/zinc/73/25/70/362732570.db2.gz NVUGAJCRVFIUTA-GOSISDBHSA-N 2 1 287.451 2.425 20 0 CEADMP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598976310 346440540 /nfs/dbraw/zinc/44/05/40/346440540.db2.gz PYAICDIRMQQZGJ-LBPRGKRZSA-N 2 1 270.417 2.038 20 0 CEADMP COC(=O)CCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000599298335 346493612 /nfs/dbraw/zinc/49/36/12/346493612.db2.gz QZNHPDRIFRCDMG-HNNXBMFYSA-N 2 1 282.428 2.280 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000336800644 365830174 /nfs/dbraw/zinc/83/01/74/365830174.db2.gz MZRDDJUGSYRJLK-UKRRQHHQSA-N 2 1 265.401 2.065 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC000336800644 365830178 /nfs/dbraw/zinc/83/01/78/365830178.db2.gz MZRDDJUGSYRJLK-UKRRQHHQSA-N 2 1 265.401 2.065 20 0 CEADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCc1ccc2c(c1)CCO2 ZINC000128438661 187370594 /nfs/dbraw/zinc/37/05/94/187370594.db2.gz JAQOPWWWDWFAGK-MRXNPFEDSA-N 2 1 276.424 2.469 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CCC(C)(C)CC1 ZINC000336813351 365853213 /nfs/dbraw/zinc/85/32/13/365853213.db2.gz UJNLJVGOECWXDW-OAHLLOKOSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CCC(C)(C)CC1 ZINC000336813351 365853216 /nfs/dbraw/zinc/85/32/16/365853216.db2.gz UJNLJVGOECWXDW-OAHLLOKOSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CCC(C)(C)CC1)C1CC1 ZINC000336813351 365853218 /nfs/dbraw/zinc/85/32/18/365853218.db2.gz UJNLJVGOECWXDW-OAHLLOKOSA-N 2 1 268.445 2.342 20 0 CEADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CCC(C)(C)CC1)C1CC1 ZINC000336813351 365853222 /nfs/dbraw/zinc/85/32/22/365853222.db2.gz UJNLJVGOECWXDW-OAHLLOKOSA-N 2 1 268.445 2.342 20 0 CEADMP CCn1ccnc1C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000336822212 365874282 /nfs/dbraw/zinc/87/42/82/365874282.db2.gz KTKJHFOPOUIKPL-UHFFFAOYSA-N 2 1 278.444 2.457 20 0 CEADMP CCc1nocc1C[NH2+]CCCCn1cc[nH+]c1C ZINC000339279052 215061295 /nfs/dbraw/zinc/06/12/95/215061295.db2.gz OOPYZPRZJYKWPV-UHFFFAOYSA-N 2 1 262.357 2.312 20 0 CEADMP C[C@@H](O)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000085984042 179210820 /nfs/dbraw/zinc/21/08/20/179210820.db2.gz NMHLTYFVLDJMLW-OAHLLOKOSA-N 2 1 276.424 2.054 20 0 CEADMP C[C@H](Nc1[nH+]cnc2[nH]ccc21)C1CC[NH+](C)CC1 ZINC000603928186 347399397 /nfs/dbraw/zinc/39/93/97/347399397.db2.gz DPBKBDLLTPVTMJ-JTQLQIEISA-N 2 1 259.357 2.100 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000603932986 347399920 /nfs/dbraw/zinc/39/99/20/347399920.db2.gz BZSZUJYRFQOJLY-AWEZNQCLSA-N 2 1 297.487 2.342 20 0 CEADMP CC(C)[N@@H+](C)CC1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000607357820 347516358 /nfs/dbraw/zinc/51/63/58/347516358.db2.gz FRVLMKJORWRYLY-KRWDZBQOSA-N 2 1 298.471 2.234 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCCn2cnc3ccccc32)CC[N@H+]1C ZINC000129791277 365895594 /nfs/dbraw/zinc/89/55/94/365895594.db2.gz IEJJZGQUDXLIMX-CABCVRRESA-N 2 1 286.423 2.499 20 0 CEADMP C/C(Cl)=C/C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000528372133 313246148 /nfs/dbraw/zinc/24/61/48/313246148.db2.gz FQEDUHVIAQKZON-TWEXNZEWSA-N 2 1 274.836 2.154 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCc2cnn(C)c2)C1 ZINC000608508669 347598139 /nfs/dbraw/zinc/59/81/39/347598139.db2.gz VXBZESIOZYHJJQ-MRXNPFEDSA-N 2 1 278.444 2.016 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000351853588 219226791 /nfs/dbraw/zinc/22/67/91/219226791.db2.gz PFHZGWVINSYKTR-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000351853588 219226794 /nfs/dbraw/zinc/22/67/94/219226794.db2.gz PFHZGWVINSYKTR-SOUVJXGZSA-N 2 1 289.423 2.300 20 0 CEADMP CCCCc1noc(C[NH+]2CCC(C[NH2+]CC)CC2)n1 ZINC000129978830 365912902 /nfs/dbraw/zinc/91/29/02/365912902.db2.gz RTIPXYDVPNATOL-UHFFFAOYSA-N 2 1 280.416 2.234 20 0 CEADMP C[N@H+](C[C@H](O)C[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC000336841982 365915113 /nfs/dbraw/zinc/91/51/13/365915113.db2.gz SZHNOCWYCKNTKF-INIZCTEOSA-N 2 1 280.456 2.488 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC000336841982 365915120 /nfs/dbraw/zinc/91/51/20/365915120.db2.gz SZHNOCWYCKNTKF-INIZCTEOSA-N 2 1 280.456 2.488 20 0 CEADMP Cc1cc(C)n(CC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000336841907 365915490 /nfs/dbraw/zinc/91/54/90/365915490.db2.gz QLVFHYAACVYBHQ-KRWDZBQOSA-N 2 1 290.455 2.164 20 0 CEADMP Cc1cc(C)n(CC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000336841907 365915491 /nfs/dbraw/zinc/91/54/91/365915491.db2.gz QLVFHYAACVYBHQ-KRWDZBQOSA-N 2 1 290.455 2.164 20 0 CEADMP Cc1cc(C)n(CC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)n1 ZINC000336841907 365915492 /nfs/dbraw/zinc/91/54/92/365915492.db2.gz QLVFHYAACVYBHQ-KRWDZBQOSA-N 2 1 290.455 2.164 20 0 CEADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)n1 ZINC000336841907 365915493 /nfs/dbraw/zinc/91/54/93/365915493.db2.gz QLVFHYAACVYBHQ-KRWDZBQOSA-N 2 1 290.455 2.164 20 0 CEADMP C[NH2+]CC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000086777826 179328735 /nfs/dbraw/zinc/32/87/35/179328735.db2.gz IOLFBHJGTUKNGX-UHFFFAOYSA-N 2 1 259.806 2.228 20 0 CEADMP [NH3+]C1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000339365697 215125116 /nfs/dbraw/zinc/12/51/16/215125116.db2.gz ZQIQMYLLHWDTTK-UHFFFAOYSA-N 2 1 286.379 2.092 20 0 CEADMP CO[C@H]1CC[N@H+](CCCCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000339415028 215157871 /nfs/dbraw/zinc/15/78/71/215157871.db2.gz NQVKYGLGBSUIMN-WBVHZDCISA-N 2 1 292.423 2.284 20 0 CEADMP CO[C@H]1CC[N@@H+](CCCCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000339415028 215157873 /nfs/dbraw/zinc/15/78/73/215157873.db2.gz NQVKYGLGBSUIMN-WBVHZDCISA-N 2 1 292.423 2.284 20 0 CEADMP COC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000339427801 215160891 /nfs/dbraw/zinc/16/08/91/215160891.db2.gz CAVJJRWKJCISOR-IRXDYDNUSA-N 2 1 276.424 2.176 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C)n1 ZINC000335006517 539616656 /nfs/dbraw/zinc/61/66/56/539616656.db2.gz GXJUIVBHDAISSV-INIZCTEOSA-N 2 1 259.397 2.274 20 0 CEADMP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C)n1 ZINC000335006517 539616659 /nfs/dbraw/zinc/61/66/59/539616659.db2.gz GXJUIVBHDAISSV-INIZCTEOSA-N 2 1 259.397 2.274 20 0 CEADMP Fc1cccc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357069149 233003864 /nfs/dbraw/zinc/00/38/64/233003864.db2.gz HIHPKIBCCJYIFP-HUUCEWRRSA-N 2 1 262.372 2.300 20 0 CEADMP CCN(CC)C(=O)CCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623358222 349997873 /nfs/dbraw/zinc/99/78/73/349997873.db2.gz UHLICJHAGOMHHL-CQSZACIVSA-N 2 1 283.460 2.097 20 0 CEADMP [NH3+]CC[C@H]1CCC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000088103091 179548602 /nfs/dbraw/zinc/54/86/02/179548602.db2.gz ZTAABQDISRXACU-OAHLLOKOSA-N 2 1 274.408 2.225 20 0 CEADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616996579 348602601 /nfs/dbraw/zinc/60/26/01/348602601.db2.gz KYELXUFCTYBGFL-RBSFLKMASA-N 2 1 295.471 2.096 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1CCCCCC1 ZINC000617504758 348718114 /nfs/dbraw/zinc/71/81/14/348718114.db2.gz JIYSBTIINRFCGM-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1CCCCCC1 ZINC000617504758 348718115 /nfs/dbraw/zinc/71/81/15/348718115.db2.gz JIYSBTIINRFCGM-HNNXBMFYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1=CC[C@@H](C)CC1 ZINC000617503389 348718832 /nfs/dbraw/zinc/71/88/32/348718832.db2.gz HFSTVELEBITRIE-CABCVRRESA-N 2 1 295.471 2.121 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1=CC[C@@H](C)CC1 ZINC000617503389 348718834 /nfs/dbraw/zinc/71/88/34/348718834.db2.gz HFSTVELEBITRIE-CABCVRRESA-N 2 1 295.471 2.121 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)[C@H]2CCC[C@H]21 ZINC000353616081 290223385 /nfs/dbraw/zinc/22/33/85/290223385.db2.gz YPTKPTIZKBURIR-APIJFGDWSA-N 2 1 266.429 2.406 20 0 CEADMP CC[C@H](C(=O)N(CC)[C@H]1CC[N@@H+](CC)C1)[NH+](CC)CC ZINC000617928688 348828237 /nfs/dbraw/zinc/82/82/37/348828237.db2.gz UIXAPPBCNSQMKF-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000088275770 539670336 /nfs/dbraw/zinc/67/03/36/539670336.db2.gz UEZFSDJQCJVQIC-HOTGVXAUSA-N 2 1 297.487 2.378 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000458233074 539672466 /nfs/dbraw/zinc/67/24/66/539672466.db2.gz WWWNPGWLRGOUGV-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458233074 539672469 /nfs/dbraw/zinc/67/24/69/539672469.db2.gz WWWNPGWLRGOUGV-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@@H]1CCCC[NH+]1CCC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458233074 539672471 /nfs/dbraw/zinc/67/24/71/539672471.db2.gz WWWNPGWLRGOUGV-HZPDHXFCSA-N 2 1 295.471 2.099 20 0 CEADMP C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400587051 233179087 /nfs/dbraw/zinc/17/90/87/233179087.db2.gz SIUMGSNQRKXJME-JQHSSLGASA-N 2 1 287.451 2.239 20 0 CEADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000400498783 233179332 /nfs/dbraw/zinc/17/93/32/233179332.db2.gz GKUVVCKRNCUMSF-CIRFHOKZSA-N 2 1 287.451 2.380 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000618991087 349089158 /nfs/dbraw/zinc/08/91/58/349089158.db2.gz SCQHVBVNQNPFHW-HOTGVXAUSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000619900594 349249919 /nfs/dbraw/zinc/24/99/19/349249919.db2.gz FAMPQDRVNPRDBD-CYBMUJFWSA-N 2 1 295.452 2.024 20 0 CEADMP CCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000619900594 349249923 /nfs/dbraw/zinc/24/99/23/349249923.db2.gz FAMPQDRVNPRDBD-CYBMUJFWSA-N 2 1 295.452 2.024 20 0 CEADMP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623483537 350031644 /nfs/dbraw/zinc/03/16/44/350031644.db2.gz JTSAVVJWNHFCBG-HNNXBMFYSA-N 2 1 292.471 2.432 20 0 CEADMP C[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623403225 350011405 /nfs/dbraw/zinc/01/14/05/350011405.db2.gz NITYMZUZVRYMKG-HNNXBMFYSA-N 3 1 267.461 2.181 20 0 CEADMP CN1CC[C@H]([NH2+]CCC2CC[NH+](C)CC2)CC1(C)C ZINC000623403225 350011407 /nfs/dbraw/zinc/01/14/07/350011407.db2.gz NITYMZUZVRYMKG-HNNXBMFYSA-N 2 1 267.461 2.181 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2cscn2)CC1(C)C ZINC000623424446 350016864 /nfs/dbraw/zinc/01/68/64/350016864.db2.gz RTWAQWNCEWNVCT-NSHDSACASA-N 2 1 253.415 2.148 20 0 CEADMP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623472248 350027714 /nfs/dbraw/zinc/02/77/14/350027714.db2.gz JIHAOMYAXOQOFU-UONOGXRCSA-N 2 1 270.461 2.492 20 0 CEADMP Cc1cnccc1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623472995 350029127 /nfs/dbraw/zinc/02/91/27/350029127.db2.gz DSBNYTYGCUWSRB-OAHLLOKOSA-N 2 1 261.413 2.395 20 0 CEADMP Cc1nc(CNC[C@H]2CCCC[N@H+](C)C2)cs1 ZINC000623655639 350075178 /nfs/dbraw/zinc/07/51/78/350075178.db2.gz AWTBUDUVAIYGIL-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCOC2(C)C)CC1(C)C ZINC000623574345 350054927 /nfs/dbraw/zinc/05/49/27/350054927.db2.gz LLTHCEQLWLMCML-CHWSQXEVSA-N 2 1 254.418 2.264 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCN2CC(F)F)CC1(C)C ZINC000623624305 350068486 /nfs/dbraw/zinc/06/84/86/350068486.db2.gz BGQYUHOAQCBGSA-CHWSQXEVSA-N 2 1 289.414 2.178 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411921294 233299870 /nfs/dbraw/zinc/29/98/70/233299870.db2.gz DJFXVJOWPSJSNQ-IAGOWNOFSA-N 2 1 285.391 2.390 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411921294 233299872 /nfs/dbraw/zinc/29/98/72/233299872.db2.gz DJFXVJOWPSJSNQ-IAGOWNOFSA-N 2 1 285.391 2.390 20 0 CEADMP Cc1ncc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000669618846 539755571 /nfs/dbraw/zinc/75/55/71/539755571.db2.gz GRKIUGYOASTWHI-GFCCVEGCSA-N 2 1 296.484 2.128 20 0 CEADMP Cc1csc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)n1 ZINC000623928673 350146081 /nfs/dbraw/zinc/14/60/81/350146081.db2.gz XQGAEAYVTSFHMW-NSHDSACASA-N 2 1 251.399 2.364 20 0 CEADMP Cc1csc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)n1 ZINC000623928673 350146083 /nfs/dbraw/zinc/14/60/83/350146083.db2.gz XQGAEAYVTSFHMW-NSHDSACASA-N 2 1 251.399 2.364 20 0 CEADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000623960609 350155783 /nfs/dbraw/zinc/15/57/83/350155783.db2.gz BGWAGSYGJJBDTD-SJORKVTESA-N 2 1 276.424 2.054 20 0 CEADMP CC[C@H](CCc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000623960609 350155795 /nfs/dbraw/zinc/15/57/95/350155795.db2.gz BGWAGSYGJJBDTD-SJORKVTESA-N 2 1 276.424 2.054 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)[C@@H]1CCCCO1 ZINC000623998613 350165119 /nfs/dbraw/zinc/16/51/19/350165119.db2.gz XQCVUALPRQOMMU-HIFRSBDPSA-N 2 1 254.418 2.408 20 0 CEADMP C[N@H+]1CC[C@@H](NC[C@H]2CCCC[NH+](C)C2)[C@H]2CCC[C@H]21 ZINC000624124190 350201466 /nfs/dbraw/zinc/20/14/66/350201466.db2.gz ZSMDJPDIIBNAAG-QBPKDAKJSA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@H]2CCCC[N@H+](C)C2)[C@H]2CCC[C@H]21 ZINC000624124190 350201469 /nfs/dbraw/zinc/20/14/69/350201469.db2.gz ZSMDJPDIIBNAAG-QBPKDAKJSA-N 2 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@@H](NC[C@H]2CCCC[N@@H+](C)C2)[C@H]2CCC[C@H]21 ZINC000624124190 350201472 /nfs/dbraw/zinc/20/14/72/350201472.db2.gz ZSMDJPDIIBNAAG-QBPKDAKJSA-N 2 1 279.472 2.181 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)[C@H]2CCC[C@H]21 ZINC000624124190 350201473 /nfs/dbraw/zinc/20/14/73/350201473.db2.gz ZSMDJPDIIBNAAG-QBPKDAKJSA-N 3 1 279.472 2.181 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH+](C)C2)[C@H]2CCC[C@H]21 ZINC000624124190 350201477 /nfs/dbraw/zinc/20/14/77/350201477.db2.gz ZSMDJPDIIBNAAG-QBPKDAKJSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)[C@H]2CCC[C@H]21 ZINC000624124190 350201479 /nfs/dbraw/zinc/20/14/79/350201479.db2.gz ZSMDJPDIIBNAAG-QBPKDAKJSA-N 3 1 279.472 2.181 20 0 CEADMP C[NH+]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)[C@H]2CCC[C@H]21 ZINC000624124190 350201481 /nfs/dbraw/zinc/20/14/81/350201481.db2.gz ZSMDJPDIIBNAAG-QBPKDAKJSA-N 3 1 279.472 2.181 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn[nH]c2)C1 ZINC000624214298 350231157 /nfs/dbraw/zinc/23/11/57/350231157.db2.gz YQTFBTFUEQGRKB-CYBMUJFWSA-N 2 1 250.390 2.011 20 0 CEADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000222943118 539790233 /nfs/dbraw/zinc/79/02/33/539790233.db2.gz DYNPMFZXXZASLS-IXDOHACOSA-N 2 1 273.424 2.120 20 0 CEADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000222943118 539790234 /nfs/dbraw/zinc/79/02/34/539790234.db2.gz DYNPMFZXXZASLS-IXDOHACOSA-N 2 1 273.424 2.120 20 0 CEADMP COC(=O)c1cc(C[N@@H+](C)C2CCC([NH3+])CC2)oc1C ZINC000091847069 180270544 /nfs/dbraw/zinc/27/05/44/180270544.db2.gz ZRAPMYBCAKDXFI-UHFFFAOYSA-N 2 1 280.368 2.076 20 0 CEADMP CCCc1ccc2[nH+]ccc(NCC[N@H+]3CC[C@@H](O)C3)c2c1 ZINC000624682713 350339802 /nfs/dbraw/zinc/33/98/02/350339802.db2.gz XDHAZMUDCNHLEJ-OAHLLOKOSA-N 2 1 299.418 2.088 20 0 CEADMP CCC1([NH+]2CCOCC2)CCN(c2cccc(C)[nH+]2)CC1 ZINC000624702915 350343566 /nfs/dbraw/zinc/34/35/66/350343566.db2.gz JIYLQDSRRXXDFY-UHFFFAOYSA-N 2 1 289.423 2.471 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000107368685 186171480 /nfs/dbraw/zinc/17/14/80/186171480.db2.gz MCHOJSWLXQMZFS-KRWDZBQOSA-N 2 1 291.414 2.038 20 0 CEADMP CCO[C@@H](C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000625450240 350502861 /nfs/dbraw/zinc/50/28/61/350502861.db2.gz LIFWPZADWMZZSE-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CCO[C@@H](C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)C1CC1 ZINC000625450240 350502863 /nfs/dbraw/zinc/50/28/63/350502863.db2.gz LIFWPZADWMZZSE-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CCO[C@@H](C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)C1CC1 ZINC000625450240 350502867 /nfs/dbraw/zinc/50/28/67/350502867.db2.gz LIFWPZADWMZZSE-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP Fc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000107580301 186180999 /nfs/dbraw/zinc/18/09/99/186180999.db2.gz UCCXTKTYLSJZOJ-BETUJISGSA-N 2 1 271.339 2.025 20 0 CEADMP Fc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000107580301 186181001 /nfs/dbraw/zinc/18/10/01/186181001.db2.gz UCCXTKTYLSJZOJ-BETUJISGSA-N 2 1 271.339 2.025 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130550063 365967864 /nfs/dbraw/zinc/96/78/64/365967864.db2.gz XYWLTBVWPXHFSV-KBPBESRZSA-N 2 1 294.443 2.207 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130550063 365967872 /nfs/dbraw/zinc/96/78/72/365967872.db2.gz XYWLTBVWPXHFSV-KBPBESRZSA-N 2 1 294.443 2.207 20 0 CEADMP CC(C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000108865508 186233828 /nfs/dbraw/zinc/23/38/28/186233828.db2.gz VIXPNIBUBQOOCC-UHFFFAOYSA-N 2 1 275.440 2.144 20 0 CEADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000626164013 350675289 /nfs/dbraw/zinc/67/52/89/350675289.db2.gz UYXUYDXTLUQUSG-QDNWOOLPSA-N 2 1 268.445 2.366 20 0 CEADMP C/C=C/C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000626164013 350675291 /nfs/dbraw/zinc/67/52/91/350675291.db2.gz UYXUYDXTLUQUSG-QDNWOOLPSA-N 2 1 268.445 2.366 20 0 CEADMP C/C=C/C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000626164013 350675296 /nfs/dbraw/zinc/67/52/96/350675296.db2.gz UYXUYDXTLUQUSG-QDNWOOLPSA-N 2 1 268.445 2.366 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000628965433 351228408 /nfs/dbraw/zinc/22/84/08/351228408.db2.gz SLAFVPMIOJHEQT-UKRRQHHQSA-N 2 1 295.471 2.286 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)[C@@H]1CCC[NH2+]1 ZINC000629511852 351381974 /nfs/dbraw/zinc/38/19/74/351381974.db2.gz BNRPJMKOYKYRAY-ULQDDVLXSA-N 2 1 274.408 2.248 20 0 CEADMP CCC[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)OCC ZINC000629514998 351384302 /nfs/dbraw/zinc/38/43/02/351384302.db2.gz OMRANKWLWBXMFH-NEPJUHHUSA-N 2 1 251.374 2.350 20 0 CEADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629544980 351405860 /nfs/dbraw/zinc/40/58/60/351405860.db2.gz ORFDKTVHOWXVEI-RFQIPJPRSA-N 2 1 254.418 2.310 20 0 CEADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cnc2ccsc2c1 ZINC000629521353 351388043 /nfs/dbraw/zinc/38/80/43/351388043.db2.gz NDCHKYOEUDFTTI-NSHDSACASA-N 2 1 291.420 2.455 20 0 CEADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC000629527380 351391283 /nfs/dbraw/zinc/39/12/83/351391283.db2.gz TYTSLPZVELGMMM-REWJHTLYSA-N 2 1 254.418 2.310 20 0 CEADMP CCC(F)(F)C(C)(C)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000629531740 351396220 /nfs/dbraw/zinc/39/62/20/351396220.db2.gz WHSWQEVTMACSRR-VXGBXAGGSA-N 2 1 278.387 2.415 20 0 CEADMP COc1ccncc1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000629531372 351396306 /nfs/dbraw/zinc/39/63/06/351396306.db2.gz ITIQBKGJAFOASD-UHFFFAOYSA-N 2 1 277.412 2.431 20 0 CEADMP COc1ccncc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000629531372 351396308 /nfs/dbraw/zinc/39/63/08/351396308.db2.gz ITIQBKGJAFOASD-UHFFFAOYSA-N 2 1 277.412 2.431 20 0 CEADMP CCO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C1CC1 ZINC000629533944 351396822 /nfs/dbraw/zinc/39/68/22/351396822.db2.gz FCYMLCLOVCZALL-BZUAXINKSA-N 2 1 266.429 2.266 20 0 CEADMP CN(CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629595276 351426376 /nfs/dbraw/zinc/42/63/76/351426376.db2.gz PBNNAXHFTIERTB-CALCHBBNSA-N 2 1 273.424 2.054 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1CC=CC1 ZINC000629609139 351430172 /nfs/dbraw/zinc/43/01/72/351430172.db2.gz WTPOZFDZWPNFME-KRWDZBQOSA-N 2 1 274.408 2.035 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1CC=CC1 ZINC000629609139 351430175 /nfs/dbraw/zinc/43/01/75/351430175.db2.gz WTPOZFDZWPNFME-KRWDZBQOSA-N 2 1 274.408 2.035 20 0 CEADMP COCc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)o1 ZINC000629649131 351447549 /nfs/dbraw/zinc/44/75/49/351447549.db2.gz INTFWPPHCRABRI-BBRMVZONSA-N 2 1 278.396 2.390 20 0 CEADMP COCc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)o1 ZINC000629649131 351447553 /nfs/dbraw/zinc/44/75/53/351447553.db2.gz INTFWPPHCRABRI-BBRMVZONSA-N 2 1 278.396 2.390 20 0 CEADMP CC[N@H+](CC[NH3+])Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000629651268 351449324 /nfs/dbraw/zinc/44/93/24/351449324.db2.gz MZWCNNBMJGIABM-UHFFFAOYSA-N 2 1 272.396 2.176 20 0 CEADMP CC[N@@H+](CC[NH3+])Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000629651268 351449327 /nfs/dbraw/zinc/44/93/27/351449327.db2.gz MZWCNNBMJGIABM-UHFFFAOYSA-N 2 1 272.396 2.176 20 0 CEADMP Cc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1Cl ZINC000629653913 351450790 /nfs/dbraw/zinc/45/07/90/351450790.db2.gz JSMQZEFRWFJBJE-UHFFFAOYSA-N 2 1 268.788 2.246 20 0 CEADMP [NH3+]C1(C[NH2+]Cc2cc(F)cc(Cl)c2)CCOCC1 ZINC000629654615 351451962 /nfs/dbraw/zinc/45/19/62/351451962.db2.gz NMBKVSACTNNQNM-UHFFFAOYSA-N 2 1 272.751 2.077 20 0 CEADMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)CCOCC[NH2+]C)C1 ZINC000629654394 351452657 /nfs/dbraw/zinc/45/26/57/351452657.db2.gz QPOGXWMAGDPJNI-HUUCEWRRSA-N 2 1 256.434 2.371 20 0 CEADMP COc1ccc2ccccc2c1C[N@@H+](C)CCOCC[NH3+] ZINC000629665511 351456881 /nfs/dbraw/zinc/45/68/81/351456881.db2.gz VXNPMQFLHQWYBE-UHFFFAOYSA-N 2 1 288.391 2.256 20 0 CEADMP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629546846 351406967 /nfs/dbraw/zinc/40/69/67/351406967.db2.gz XYTAGAARNMRDIR-RFQIPJPRSA-N 2 1 254.418 2.166 20 0 CEADMP CC(C)CO[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C1(C)C ZINC000629546840 351406998 /nfs/dbraw/zinc/40/69/98/351406998.db2.gz XYTAGAARNMRDIR-CRWXNKLISA-N 2 1 254.418 2.166 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000629568903 351417936 /nfs/dbraw/zinc/41/79/36/351417936.db2.gz MGJQYXIRASVBNN-UHFFFAOYSA-N 2 1 289.379 2.009 20 0 CEADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000629565234 351417992 /nfs/dbraw/zinc/41/79/92/351417992.db2.gz DCVXFAHJLQJHMS-UHFFFAOYSA-N 2 1 262.806 2.069 20 0 CEADMP COc1cccc2c1C[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000629579148 351420844 /nfs/dbraw/zinc/42/08/44/351420844.db2.gz AHCYRYBTVFBWEN-UHFFFAOYSA-N 2 1 260.381 2.401 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C1CCC1)C1CCC1)C1CC1 ZINC000629589697 351424978 /nfs/dbraw/zinc/42/49/78/351424978.db2.gz XBEGLKRMOJAAKQ-INIZCTEOSA-N 2 1 280.456 2.248 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C1CCC1)C1CCC1)C1CC1 ZINC000629589697 351424981 /nfs/dbraw/zinc/42/49/81/351424981.db2.gz XBEGLKRMOJAAKQ-INIZCTEOSA-N 2 1 280.456 2.248 20 0 CEADMP COC[C@H](C)[N@H+](C[C@@H](C)[NH3+])[C@H]1CCc2ccccc21 ZINC000629590116 351425179 /nfs/dbraw/zinc/42/51/79/351425179.db2.gz MGCAOHKGEXHQHK-WWGRRREGSA-N 2 1 262.397 2.358 20 0 CEADMP COC[C@H](C)[N@@H+](C[C@@H](C)[NH3+])[C@H]1CCc2ccccc21 ZINC000629590116 351425181 /nfs/dbraw/zinc/42/51/81/351425181.db2.gz MGCAOHKGEXHQHK-WWGRRREGSA-N 2 1 262.397 2.358 20 0 CEADMP Cc1cccc(OCC[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070170445 363043686 /nfs/dbraw/zinc/04/36/86/363043686.db2.gz PPGZLLAUECQZBW-OAHLLOKOSA-N 2 1 262.397 2.435 20 0 CEADMP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070174159 363047151 /nfs/dbraw/zinc/04/71/51/363047151.db2.gz LXMABKKFWWJKOD-DZGCQCFKSA-N 2 1 290.407 2.327 20 0 CEADMP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070174159 363047155 /nfs/dbraw/zinc/04/71/55/363047155.db2.gz LXMABKKFWWJKOD-DZGCQCFKSA-N 2 1 290.407 2.327 20 0 CEADMP [NH3+]CCC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000070188154 363050831 /nfs/dbraw/zinc/05/08/31/363050831.db2.gz MUGLBGQQKQTMLM-UHFFFAOYSA-N 2 1 292.408 2.359 20 0 CEADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000070189912 363052066 /nfs/dbraw/zinc/05/20/66/363052066.db2.gz CBVRFHPERFQGDC-UHFFFAOYSA-N 2 1 293.386 2.086 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000070359241 363075736 /nfs/dbraw/zinc/07/57/36/363075736.db2.gz BMPRSDOXNFJUOQ-GJZGRUSLSA-N 2 1 254.418 2.264 20 0 CEADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc2cccnc21 ZINC000131529274 366063548 /nfs/dbraw/zinc/06/35/48/366063548.db2.gz QBCADYYMWYFFPF-QWHCGFSZSA-N 2 1 255.365 2.404 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000131427421 366052956 /nfs/dbraw/zinc/05/29/56/366052956.db2.gz MDSRCCXUAMMGGT-HOCLYGCPSA-N 2 1 288.439 2.112 20 0 CEADMP COc1cccc2c(N3C[C@@H]([NH3+])C[C@@H]3C)cc(C)[nH+]c12 ZINC000630559682 351786165 /nfs/dbraw/zinc/78/61/65/351786165.db2.gz XZRNHYHFOPWFCV-RYUDHWBXSA-N 2 1 271.364 2.478 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)COC)[C@@H](C)C1 ZINC000122338020 187027345 /nfs/dbraw/zinc/02/73/45/187027345.db2.gz WFHPWBKNXNEIRZ-XHSDSOJGSA-N 2 1 286.460 2.138 20 0 CEADMP C[C@H](CNc1cc[nH+]cc1Br)C[NH+](C)C ZINC000291887432 198095737 /nfs/dbraw/zinc/09/57/37/198095737.db2.gz OVGGKFSWSMFBIZ-SECBINFHSA-N 2 1 272.190 2.454 20 0 CEADMP Cc1nc(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cs1 ZINC000124294098 187130984 /nfs/dbraw/zinc/13/09/84/187130984.db2.gz UYMGZHXGOWEQHO-CQSZACIVSA-N 2 1 279.453 2.412 20 0 CEADMP Cc1nc(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cs1 ZINC000124294098 187130985 /nfs/dbraw/zinc/13/09/85/187130985.db2.gz UYMGZHXGOWEQHO-CQSZACIVSA-N 2 1 279.453 2.412 20 0 CEADMP CC(=O)Nc1cccc(C[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000631030117 351928536 /nfs/dbraw/zinc/92/85/36/351928536.db2.gz MYUPSIGYELJRMA-UHFFFAOYSA-N 2 1 277.412 2.322 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+]Cc1csc(C)c1C ZINC000631041245 351933968 /nfs/dbraw/zinc/93/39/68/351933968.db2.gz ORHARVWWJPTAGE-UHFFFAOYSA-N 2 1 270.442 2.423 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631049315 351937602 /nfs/dbraw/zinc/93/76/02/351937602.db2.gz JFBZBKTYQHXUAM-CQSZACIVSA-N 2 1 290.455 2.120 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631049315 351937604 /nfs/dbraw/zinc/93/76/04/351937604.db2.gz JFBZBKTYQHXUAM-CQSZACIVSA-N 2 1 290.455 2.120 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)CC1(C)C ZINC000631262770 352045410 /nfs/dbraw/zinc/04/54/10/352045410.db2.gz UFQIDTQUMWWYQD-IVZWLZJFSA-N 2 1 250.308 2.400 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)CC1(C)C ZINC000631262770 352045413 /nfs/dbraw/zinc/04/54/13/352045413.db2.gz UFQIDTQUMWWYQD-IVZWLZJFSA-N 2 1 250.308 2.400 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000291995702 198129148 /nfs/dbraw/zinc/12/91/48/198129148.db2.gz AKEKLQILKNATLX-ZIAGYGMSSA-N 2 1 291.439 2.379 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000072859251 363172920 /nfs/dbraw/zinc/17/29/20/363172920.db2.gz NCFWZMLCZSNIRW-HNNXBMFYSA-N 2 1 290.407 2.247 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000072859251 363172923 /nfs/dbraw/zinc/17/29/23/363172923.db2.gz NCFWZMLCZSNIRW-HNNXBMFYSA-N 2 1 290.407 2.247 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000072859251 363172925 /nfs/dbraw/zinc/17/29/25/363172925.db2.gz NCFWZMLCZSNIRW-HNNXBMFYSA-N 2 1 290.407 2.247 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000072859251 363172928 /nfs/dbraw/zinc/17/29/28/363172928.db2.gz NCFWZMLCZSNIRW-HNNXBMFYSA-N 2 1 290.407 2.247 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000271587798 191228444 /nfs/dbraw/zinc/22/84/44/191228444.db2.gz XRQQEHALFBMMNL-OMNBBPDLSA-N 2 1 294.414 2.047 20 0 CEADMP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250009351 539963268 /nfs/dbraw/zinc/96/32/68/539963268.db2.gz GYUUEZSWCVOUHH-ZOBUZTSGSA-N 2 1 271.408 2.473 20 0 CEADMP CN(C[C@H](O)c1ccc(F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152502938 188024605 /nfs/dbraw/zinc/02/46/05/188024605.db2.gz IGOSPUJEXSGEGB-BBRMVZONSA-N 2 1 280.387 2.133 20 0 CEADMP C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000152502938 188024606 /nfs/dbraw/zinc/02/46/06/188024606.db2.gz IGOSPUJEXSGEGB-BBRMVZONSA-N 2 1 280.387 2.133 20 0 CEADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000152502938 188024608 /nfs/dbraw/zinc/02/46/08/188024608.db2.gz IGOSPUJEXSGEGB-BBRMVZONSA-N 2 1 280.387 2.133 20 0 CEADMP CC[C@H]1C[N@H+](CCOc2ccccc2C(C)=O)CC[C@H]1[NH3+] ZINC000251689153 539987952 /nfs/dbraw/zinc/98/79/52/539987952.db2.gz IHHUWDKIMAHVQO-GOEBONIOSA-N 2 1 290.407 2.327 20 0 CEADMP CC[C@H]1C[N@@H+](CCOc2ccccc2C(C)=O)CC[C@H]1[NH3+] ZINC000251689153 539987956 /nfs/dbraw/zinc/98/79/56/539987956.db2.gz IHHUWDKIMAHVQO-GOEBONIOSA-N 2 1 290.407 2.327 20 0 CEADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2)CC[C@H]1[NH3+] ZINC000251905287 539994361 /nfs/dbraw/zinc/99/43/61/539994361.db2.gz XFWIDAJRHXONHP-UKRRQHHQSA-N 2 1 275.396 2.074 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2cccs2)CC[N@H+]1C ZINC000156877605 188285646 /nfs/dbraw/zinc/28/56/46/188285646.db2.gz RKTBOKSTKAZLOS-BZPMIXESSA-N 2 1 268.426 2.028 20 0 CEADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)[C@H]1C[NH3+] ZINC000252119199 539999410 /nfs/dbraw/zinc/99/94/10/539999410.db2.gz JBHIROHWBIIOGN-DOMZBBRYSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)[C@H]1C[NH3+] ZINC000252119199 539999416 /nfs/dbraw/zinc/99/94/16/539999416.db2.gz JBHIROHWBIIOGN-DOMZBBRYSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000292727106 198391278 /nfs/dbraw/zinc/39/12/78/198391278.db2.gz GGAWKPFMOFFFQN-XOKHGSTOSA-N 2 1 294.414 2.144 20 0 CEADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000292727106 198391280 /nfs/dbraw/zinc/39/12/80/198391280.db2.gz GGAWKPFMOFFFQN-XOKHGSTOSA-N 2 1 294.414 2.144 20 0 CEADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)Cc2ccc(F)cc2)CC[NH+]1C ZINC000292727106 198391282 /nfs/dbraw/zinc/39/12/82/198391282.db2.gz GGAWKPFMOFFFQN-XOKHGSTOSA-N 2 1 294.414 2.144 20 0 CEADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)Cc2ccc(F)cc2)CC[NH+]1C ZINC000292727106 198391283 /nfs/dbraw/zinc/39/12/83/198391283.db2.gz GGAWKPFMOFFFQN-XOKHGSTOSA-N 2 1 294.414 2.144 20 0 CEADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000569495134 299206337 /nfs/dbraw/zinc/20/63/37/299206337.db2.gz BVWVRQGZVMNJTJ-BXUZGUMPSA-N 2 1 271.364 2.252 20 0 CEADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000569495136 299206512 /nfs/dbraw/zinc/20/65/12/299206512.db2.gz BVWVRQGZVMNJTJ-FZMZJTMJSA-N 2 1 271.364 2.252 20 0 CEADMP CC(C)OCCC[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000337244470 366102027 /nfs/dbraw/zinc/10/20/27/366102027.db2.gz HWEULOGDUXDYNN-UHFFFAOYSA-N 2 1 299.503 2.149 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488412004 290396543 /nfs/dbraw/zinc/39/65/43/290396543.db2.gz KWWLJIUCIBCVID-KBPBESRZSA-N 2 1 288.501 2.465 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)C12CCC2 ZINC000451483355 283004612 /nfs/dbraw/zinc/00/46/12/283004612.db2.gz VJSGVFQWOGLIEH-SOUVJXGZSA-N 2 1 266.429 2.408 20 0 CEADMP CC[NH+](CC)CCC[NH2+]Cc1ccc2nccnc2c1 ZINC000124236419 540018874 /nfs/dbraw/zinc/01/88/74/540018874.db2.gz KPMSMNAUHFKZQK-UHFFFAOYSA-N 2 1 272.396 2.451 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451485811 283006024 /nfs/dbraw/zinc/00/60/24/283006024.db2.gz BYLODNZPLRILCP-KBUPBQIOSA-N 2 1 264.413 2.018 20 0 CEADMP Fc1ccc2c(c1F)C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000261924143 283009093 /nfs/dbraw/zinc/00/90/93/283009093.db2.gz KWKDVICEERQXTJ-UHFFFAOYSA-N 2 1 266.335 2.323 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000337471613 366155252 /nfs/dbraw/zinc/15/52/52/366155252.db2.gz NUTJEENKMYTZLU-LSDHHAIUSA-N 2 1 252.402 2.043 20 0 CEADMP c1nc(C2CC2)sc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855154 540023617 /nfs/dbraw/zinc/02/36/17/540023617.db2.gz APNSTOUFZZBYGP-LLVKDONJSA-N 2 1 251.399 2.252 20 0 CEADMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000569738158 299216053 /nfs/dbraw/zinc/21/60/53/299216053.db2.gz ASMWNFYHKJDIOB-GOEBONIOSA-N 2 1 292.423 2.145 20 0 CEADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000569738158 299216056 /nfs/dbraw/zinc/21/60/56/299216056.db2.gz ASMWNFYHKJDIOB-GOEBONIOSA-N 2 1 292.423 2.145 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451555719 283034019 /nfs/dbraw/zinc/03/40/19/283034019.db2.gz CBJMNNHWRJWAQU-WNKDZCFJSA-N 2 1 298.471 2.090 20 0 CEADMP CO[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451555719 283034022 /nfs/dbraw/zinc/03/40/22/283034022.db2.gz CBJMNNHWRJWAQU-WNKDZCFJSA-N 2 1 298.471 2.090 20 0 CEADMP CO[C@@H]1CC[NH+](CCC[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451555719 283034024 /nfs/dbraw/zinc/03/40/24/283034024.db2.gz CBJMNNHWRJWAQU-WNKDZCFJSA-N 2 1 298.471 2.090 20 0 CEADMP CCc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)o1 ZINC000133467828 366227143 /nfs/dbraw/zinc/22/71/43/366227143.db2.gz CNKZOVTXUIRWJH-CQSZACIVSA-N 2 1 280.412 2.169 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000451604290 283048105 /nfs/dbraw/zinc/04/81/05/283048105.db2.gz YICZQJVHXTZYMD-HOTGVXAUSA-N 2 1 281.444 2.460 20 0 CEADMP CO[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000669927838 540047542 /nfs/dbraw/zinc/04/75/42/540047542.db2.gz YLVPDCOCZGOGPL-UMVBOHGHSA-N 2 1 280.799 2.179 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)C(C)(C)C)C1 ZINC000336790469 283065059 /nfs/dbraw/zinc/06/50/59/283065059.db2.gz XDFKXWFKXDVBBH-KGLIPLIRSA-N 2 1 256.434 2.057 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)C(C)(C)C)C1 ZINC000336790469 283065060 /nfs/dbraw/zinc/06/50/60/283065060.db2.gz XDFKXWFKXDVBBH-KGLIPLIRSA-N 2 1 256.434 2.057 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)C(C)(C)C)C1 ZINC000336790469 283065062 /nfs/dbraw/zinc/06/50/62/283065062.db2.gz XDFKXWFKXDVBBH-KGLIPLIRSA-N 2 1 256.434 2.057 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCc2ccccc2[C@H](C)C1 ZINC000404733036 540126973 /nfs/dbraw/zinc/12/69/73/540126973.db2.gz JULAFZLYQWUYDQ-WBVHZDCISA-N 2 1 290.451 2.349 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000404733036 540126976 /nfs/dbraw/zinc/12/69/76/540126976.db2.gz JULAFZLYQWUYDQ-WBVHZDCISA-N 2 1 290.451 2.349 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000404733036 540126980 /nfs/dbraw/zinc/12/69/80/540126980.db2.gz JULAFZLYQWUYDQ-WBVHZDCISA-N 2 1 290.451 2.349 20 0 CEADMP Cc1[nH+]ccc(N[C@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000379936758 540122566 /nfs/dbraw/zinc/12/25/66/540122566.db2.gz WGCLDMIOYZZUGL-JTQLQIEISA-N 2 1 251.761 2.114 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000161974181 540145939 /nfs/dbraw/zinc/14/59/39/540145939.db2.gz COOXRPXUHCXJBN-KBPBESRZSA-N 2 1 260.381 2.237 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCOc2ccccc21 ZINC000161974181 540145944 /nfs/dbraw/zinc/14/59/44/540145944.db2.gz COOXRPXUHCXJBN-KBPBESRZSA-N 2 1 260.381 2.237 20 0 CEADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000309827744 540160559 /nfs/dbraw/zinc/16/05/59/540160559.db2.gz BRLJCWKXZGQDEX-MJBXVCDLSA-N 2 1 299.459 2.077 20 0 CEADMP CC[C@H](C)[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000451820238 283116063 /nfs/dbraw/zinc/11/60/63/283116063.db2.gz CZPUMTWMEXJWEG-HOTGVXAUSA-N 2 1 267.461 2.277 20 0 CEADMP CO[C@@H]1C[C@H]([N@H+](C)CCn2cc[nH+]c2C)C12CCC2 ZINC000451835540 283121151 /nfs/dbraw/zinc/12/11/51/283121151.db2.gz AWWZBIWARJJOMJ-UONOGXRCSA-N 2 1 263.385 2.081 20 0 CEADMP CO[C@@H]1C[C@H]([N@@H+](C)CCn2cc[nH+]c2C)C12CCC2 ZINC000451835540 283121154 /nfs/dbraw/zinc/12/11/54/283121154.db2.gz AWWZBIWARJJOMJ-UONOGXRCSA-N 2 1 263.385 2.081 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCCO)[C@H]2CCC[C@H]21 ZINC000375802787 283134269 /nfs/dbraw/zinc/13/42/69/283134269.db2.gz WORXUGZRISKBRG-QLFBSQMISA-N 2 1 268.445 2.248 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)[C@H]2CCC[C@H]21 ZINC000353683321 283136871 /nfs/dbraw/zinc/13/68/71/283136871.db2.gz POJPOSRXXROYKA-LJISPDSOSA-N 2 1 266.429 2.406 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCCC2)[C@@H]2CCC[C@H]21 ZINC000367589550 283135551 /nfs/dbraw/zinc/13/55/51/283135551.db2.gz PLCPXAMPDFULTK-YESZJQIVSA-N 3 1 279.472 2.325 20 0 CEADMP CN1CC[C@H]([NH2+]CCCC[NH+]2CCCC2)[C@@H]2CCC[C@H]21 ZINC000367589550 283135552 /nfs/dbraw/zinc/13/55/52/283135552.db2.gz PLCPXAMPDFULTK-YESZJQIVSA-N 2 1 279.472 2.325 20 0 CEADMP CCN(CCC[NH3+])C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414705696 540245322 /nfs/dbraw/zinc/24/53/22/540245322.db2.gz LUYFVFJWFMGXBS-QGZVFWFLSA-N 2 1 275.440 2.179 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@]1(C)CCCO ZINC000338279796 366268323 /nfs/dbraw/zinc/26/83/23/366268323.db2.gz GGKPXBALVYZDQH-OAHLLOKOSA-N 2 1 256.434 2.345 20 0 CEADMP CCOC(=O)[C@H](CC)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134864816 366366076 /nfs/dbraw/zinc/36/60/76/366366076.db2.gz IGRNSRXNWBEROU-VNQPRFMTSA-N 2 1 294.439 2.277 20 0 CEADMP COCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441391477 538833321 /nfs/dbraw/zinc/83/33/21/538833321.db2.gz GUFGLYHXVKUHAD-SQWLQELKSA-N 2 1 266.429 2.360 20 0 CEADMP COCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441391477 538833327 /nfs/dbraw/zinc/83/33/27/538833327.db2.gz GUFGLYHXVKUHAD-SQWLQELKSA-N 2 1 266.429 2.360 20 0 CEADMP COCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441391477 538833336 /nfs/dbraw/zinc/83/33/36/538833336.db2.gz GUFGLYHXVKUHAD-SQWLQELKSA-N 2 1 266.429 2.360 20 0 CEADMP COCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441391477 538833339 /nfs/dbraw/zinc/83/33/39/538833339.db2.gz GUFGLYHXVKUHAD-SQWLQELKSA-N 2 1 266.429 2.360 20 0 CEADMP CCCC[NH+]1CCC(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000352748930 219606962 /nfs/dbraw/zinc/60/69/62/219606962.db2.gz NVJMKMIRVZYPCA-WMLDXEAASA-N 2 1 279.472 2.323 20 0 CEADMP CCCC[NH+]1CCC([NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000352748930 219606963 /nfs/dbraw/zinc/60/69/63/219606963.db2.gz NVJMKMIRVZYPCA-WMLDXEAASA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](Nc1cc[nH+]c2ccccc12)[C@@H]1C[N@H+](C)CCO1 ZINC000154846218 540277758 /nfs/dbraw/zinc/27/77/58/540277758.db2.gz GUZGAOWNBYBMQB-WBMJQRKESA-N 2 1 271.364 2.366 20 0 CEADMP C[C@@H](Nc1cc[nH+]c2ccccc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000154846218 540277761 /nfs/dbraw/zinc/27/77/61/540277761.db2.gz GUZGAOWNBYBMQB-WBMJQRKESA-N 2 1 271.364 2.366 20 0 CEADMP C[C@H](Nc1cc[nH+]c2ccccc12)[C@@H]1C[N@H+](C)CCO1 ZINC000154846104 540277773 /nfs/dbraw/zinc/27/77/73/540277773.db2.gz GUZGAOWNBYBMQB-LRDDRELGSA-N 2 1 271.364 2.366 20 0 CEADMP C[C@H](Nc1cc[nH+]c2ccccc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000154846104 540277775 /nfs/dbraw/zinc/27/77/75/540277775.db2.gz GUZGAOWNBYBMQB-LRDDRELGSA-N 2 1 271.364 2.366 20 0 CEADMP CC[NH+](CC)C[C@@H](C)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000352289288 540298651 /nfs/dbraw/zinc/29/86/51/540298651.db2.gz HTWOGFZLDWINIJ-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP C[C@H](CN[C@@H](C)c1ncc[nH]1)[N@H+]1CCCC[C@@H]1C ZINC000353460737 540315356 /nfs/dbraw/zinc/31/53/56/540315356.db2.gz LGPIJGFKYWVNGE-XQQFMLRXSA-N 2 1 250.390 2.323 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000166373112 540339190 /nfs/dbraw/zinc/33/91/90/540339190.db2.gz TVDVGLQHDFMFDP-AWEZNQCLSA-N 2 1 281.444 2.029 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC1 ZINC000166646983 540358735 /nfs/dbraw/zinc/35/87/35/540358735.db2.gz YKCMZDKMTAYJEW-IRXDYDNUSA-N 2 1 274.408 2.107 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000389864165 540368432 /nfs/dbraw/zinc/36/84/32/540368432.db2.gz JWJJUAHSZXSJEB-NJAFHUGGSA-N 2 1 287.451 2.239 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@@H]2c3ccccc3C[C@H]2O)CC1 ZINC000166559168 540362012 /nfs/dbraw/zinc/36/20/12/540362012.db2.gz UXOLVRZOZTUUHC-IAGOWNOFSA-N 2 1 274.408 2.109 20 0 CEADMP CC/C=C\CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000588475972 540380838 /nfs/dbraw/zinc/38/08/38/540380838.db2.gz PQTURXNRNOOTBO-CHYADLBTSA-N 2 1 279.472 2.445 20 0 CEADMP CCc1cccc(C[NH2+]CCC[N@@H+](C)CCOC)c1 ZINC000578018713 366432324 /nfs/dbraw/zinc/43/23/24/366432324.db2.gz YKTVCUMCMAWFPK-UHFFFAOYSA-N 2 1 264.413 2.307 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000310735381 540405116 /nfs/dbraw/zinc/40/51/16/540405116.db2.gz GGEMIIPMWRXTEQ-CYBMUJFWSA-N 2 1 258.450 2.492 20 0 CEADMP COC(=O)Nc1ccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000496623704 291156330 /nfs/dbraw/zinc/15/63/30/291156330.db2.gz NDLTWKJVDQQRIK-SWLSCSKDSA-N 2 1 291.395 2.138 20 0 CEADMP CCOC[C@H]1CCC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000667640250 540517326 /nfs/dbraw/zinc/51/73/26/540517326.db2.gz OMUMIDUAFBSLEB-ZDUSSCGKSA-N 2 1 263.385 2.078 20 0 CEADMP CN(Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000667518381 540513424 /nfs/dbraw/zinc/51/34/24/540513424.db2.gz YVGMFMBJDQQCCZ-HNNXBMFYSA-N 2 1 299.422 2.041 20 0 CEADMP c1nc2n(c1CN1CCC[C@H](OCC3CC3)C1)CCC2 ZINC000668010589 540551922 /nfs/dbraw/zinc/55/19/22/540551922.db2.gz AQJFCQUFYJBEIS-HNNXBMFYSA-N 2 1 275.396 2.220 20 0 CEADMP CCc1ccc2[nH+]ccc(N3CCC[N@@H+](CCO)CC3)c2c1 ZINC000297070993 200076779 /nfs/dbraw/zinc/07/67/79/200076779.db2.gz JKYAEAUNFYNBPY-UHFFFAOYSA-N 2 1 299.418 2.302 20 0 CEADMP COCCCC[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000418147306 237327224 /nfs/dbraw/zinc/32/72/24/237327224.db2.gz QYIZXYQTQDJEHD-UHFFFAOYSA-N 2 1 288.395 2.434 20 0 CEADMP C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000156733430 296000655 /nfs/dbraw/zinc/00/06/55/296000655.db2.gz JTTBRGMRGFWDHK-CAEXGNQWSA-N 2 1 254.418 2.262 20 0 CEADMP O[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150774596 366597328 /nfs/dbraw/zinc/59/73/28/366597328.db2.gz ORSWXSIHRBYYRU-QZTJIDSGSA-N 2 1 288.435 2.008 20 0 CEADMP C[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339065618 366637900 /nfs/dbraw/zinc/63/79/00/366637900.db2.gz BPWFOMTVBFZUEL-GRYCIOLGSA-N 2 1 280.334 2.170 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1noc2ccccc21 ZINC000579374799 366638071 /nfs/dbraw/zinc/63/80/71/366638071.db2.gz ZZGCWNVYFUWPLO-WCQYABFASA-N 2 1 259.353 2.435 20 0 CEADMP Fc1ccccc1OCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339066254 366639010 /nfs/dbraw/zinc/63/90/10/366639010.db2.gz JKSXQEOGLDKLSU-UONOGXRCSA-N 2 1 278.371 2.421 20 0 CEADMP CCOc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1OC ZINC000579614288 366675077 /nfs/dbraw/zinc/67/50/77/366675077.db2.gz YCGHASFTCNDJMB-UHFFFAOYSA-N 2 1 278.396 2.279 20 0 CEADMP Cc1cccc(C[C@@H](CO)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298122527 200338403 /nfs/dbraw/zinc/33/84/03/200338403.db2.gz PJFOCGIICHQTMM-KRWDZBQOSA-N 2 1 288.435 2.115 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccsc1 ZINC000177988289 189083865 /nfs/dbraw/zinc/08/38/65/189083865.db2.gz PCYBEBMQGBIEQW-LBPRGKRZSA-N 2 1 256.415 2.367 20 0 CEADMP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000333491219 283567974 /nfs/dbraw/zinc/56/79/74/283567974.db2.gz DJAMIESSNVGQAL-UKRRQHHQSA-N 2 1 295.814 2.458 20 0 CEADMP Cc1noc(C)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000178442563 189116849 /nfs/dbraw/zinc/11/68/49/189116849.db2.gz UWQCYQZJOFNOAJ-UHFFFAOYSA-N 2 1 262.357 2.318 20 0 CEADMP Cc1noc(C)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000178442563 189116850 /nfs/dbraw/zinc/11/68/50/189116850.db2.gz UWQCYQZJOFNOAJ-UHFFFAOYSA-N 2 1 262.357 2.318 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCOc2cccc(F)c2)CC[N@@H+]1C ZINC000178473279 189119601 /nfs/dbraw/zinc/11/96/01/189119601.db2.gz VTXHKKZPHDMYMS-GXTWGEPZSA-N 2 1 266.360 2.277 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCOc2cccc(F)c2)CC[N@H+]1C ZINC000178473279 189119602 /nfs/dbraw/zinc/11/96/02/189119602.db2.gz VTXHKKZPHDMYMS-GXTWGEPZSA-N 2 1 266.360 2.277 20 0 CEADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)CC2 ZINC000178522007 189123720 /nfs/dbraw/zinc/12/37/20/189123720.db2.gz SVNXNDWQMKENOF-SFHVURJKSA-N 2 1 288.435 2.419 20 0 CEADMP Cc1nc(C)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000674698994 540769620 /nfs/dbraw/zinc/76/96/20/540769620.db2.gz KWKUWIFMTPSBMK-UHFFFAOYSA-N 2 1 288.420 2.477 20 0 CEADMP CCNC(=O)C[C@@H]1CCCC[N@H+]1CCC[NH+](CC)CC ZINC000342060575 216204245 /nfs/dbraw/zinc/20/42/45/216204245.db2.gz LAQYIHLLRKFKRB-HNNXBMFYSA-N 2 1 283.460 2.099 20 0 CEADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178705545 189139032 /nfs/dbraw/zinc/13/90/32/189139032.db2.gz PCXBMKUQOBVWAJ-UONOGXRCSA-N 2 1 294.443 2.064 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342131659 216231861 /nfs/dbraw/zinc/23/18/61/216231861.db2.gz IKYRWAAODKWKGQ-ZNMIVQPWSA-N 2 1 298.434 2.175 20 0 CEADMP Cn1c2ccccc2nc1CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342131654 216232330 /nfs/dbraw/zinc/23/23/30/216232330.db2.gz IKYRWAAODKWKGQ-KKUMJFAQSA-N 2 1 298.434 2.175 20 0 CEADMP COc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1SC ZINC000342145123 216238058 /nfs/dbraw/zinc/23/80/58/216238058.db2.gz XFFJYHZVKHSDSZ-UHFFFAOYSA-N 2 1 266.410 2.388 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000571603966 299317856 /nfs/dbraw/zinc/31/78/56/299317856.db2.gz ULIOXPUKNPCOEY-IKGGRYGDSA-N 2 1 276.424 2.225 20 0 CEADMP CCO[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000676721047 540949070 /nfs/dbraw/zinc/94/90/70/540949070.db2.gz GDLDCKFFFXLASL-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CCO[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000676721047 540949072 /nfs/dbraw/zinc/94/90/72/540949072.db2.gz GDLDCKFFFXLASL-CQSZACIVSA-N 2 1 251.374 2.083 20 0 CEADMP CC(C)[NH+]1CCC(N(C)c2[nH+]cnc3[nH]ccc32)CC1 ZINC000299705235 200839059 /nfs/dbraw/zinc/83/90/59/200839059.db2.gz ZEOCIDMQRSCKHS-UHFFFAOYSA-N 2 1 273.384 2.267 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c[nH]nc3c2)C1 ZINC000180042408 189234286 /nfs/dbraw/zinc/23/42/86/189234286.db2.gz IQGPNNKKWYIHHB-AWEZNQCLSA-N 2 1 272.396 2.337 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c[nH]nc3c2)C1 ZINC000180042408 189234287 /nfs/dbraw/zinc/23/42/87/189234287.db2.gz IQGPNNKKWYIHHB-AWEZNQCLSA-N 2 1 272.396 2.337 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000180042408 189234288 /nfs/dbraw/zinc/23/42/88/189234288.db2.gz IQGPNNKKWYIHHB-AWEZNQCLSA-N 2 1 272.396 2.337 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000180042408 189234289 /nfs/dbraw/zinc/23/42/89/189234289.db2.gz IQGPNNKKWYIHHB-AWEZNQCLSA-N 2 1 272.396 2.337 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677239952 540995533 /nfs/dbraw/zinc/99/55/33/540995533.db2.gz AKSJXUDHQZAHRV-ZOBUZTSGSA-N 2 1 274.408 2.245 20 0 CEADMP Cc1ccccc1[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677239952 540995534 /nfs/dbraw/zinc/99/55/34/540995534.db2.gz AKSJXUDHQZAHRV-ZOBUZTSGSA-N 2 1 274.408 2.245 20 0 CEADMP c1ccc2c(c1)CN(CC[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000677237599 540995745 /nfs/dbraw/zinc/99/57/45/540995745.db2.gz KCUMEBKXZKGQGR-ROUUACIJSA-N 2 1 285.435 2.219 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000638674524 370678699 /nfs/dbraw/zinc/67/86/99/370678699.db2.gz MAZSOUDHVLILRC-UKRRQHHQSA-N 2 1 292.427 2.009 20 0 CEADMP C[NH+](C)C1(CNc2cc(NCC3CC3)[nH+]cn2)CCCC1 ZINC000340018816 366748361 /nfs/dbraw/zinc/74/83/61/366748361.db2.gz CAFUKTDXLRLMTH-UHFFFAOYSA-N 2 1 289.427 2.007 20 0 CEADMP C[C@@H](CCC1CCCCC1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154289647 366767603 /nfs/dbraw/zinc/76/76/03/366767603.db2.gz RWIZILFSZYVCAD-DZGCQCFKSA-N 2 1 256.434 2.248 20 0 CEADMP CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000154571898 366779416 /nfs/dbraw/zinc/77/94/16/366779416.db2.gz RASIDUWGBSLOQH-ZIAGYGMSSA-N 2 1 292.427 2.127 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000340190451 366797966 /nfs/dbraw/zinc/79/79/66/366797966.db2.gz GBYQZYKYEMHNKJ-TZMCWYRMSA-N 2 1 251.374 2.129 20 0 CEADMP Cc1ncncc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000581618199 366802488 /nfs/dbraw/zinc/80/24/88/366802488.db2.gz UHSDDGRIIKADOE-RLAWYHOSSA-N 2 1 260.385 2.061 20 0 CEADMP Cc1ncncc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000581618199 366802491 /nfs/dbraw/zinc/80/24/91/366802491.db2.gz UHSDDGRIIKADOE-RLAWYHOSSA-N 2 1 260.385 2.061 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1F ZINC000019959367 361570777 /nfs/dbraw/zinc/57/07/77/361570777.db2.gz PSHSHZQTBVMIMH-LLVKDONJSA-N 2 1 254.349 2.437 20 0 CEADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[NH+](C)C)c1 ZINC000020091807 361579174 /nfs/dbraw/zinc/57/91/74/361579174.db2.gz DSFPUZSCYCEXGC-GFCCVEGCSA-N 2 1 263.385 2.247 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)C1CC[NH+](C)CC1 ZINC000678598695 541156340 /nfs/dbraw/zinc/15/63/40/541156340.db2.gz MFFGRHRKEJLUMZ-BXUZGUMPSA-N 2 1 262.401 2.107 20 0 CEADMP CC[N@@H+](CCC1CC[NH+](C[C@H](C)CO)CC1)CC1CC1 ZINC000678469802 541138860 /nfs/dbraw/zinc/13/88/60/541138860.db2.gz LPQAGRCOGTVTEV-HNNXBMFYSA-N 2 1 282.472 2.449 20 0 CEADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678640852 541162345 /nfs/dbraw/zinc/16/23/45/541162345.db2.gz UPJFQRQFLVYLQC-CVEARBPZSA-N 2 1 277.412 2.330 20 0 CEADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678640852 541162347 /nfs/dbraw/zinc/16/23/47/541162347.db2.gz UPJFQRQFLVYLQC-CVEARBPZSA-N 2 1 277.412 2.330 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000342515626 216380939 /nfs/dbraw/zinc/38/09/39/216380939.db2.gz XGUJIMGFQPZKFM-JKXDFHQYSA-N 2 1 295.471 2.237 20 0 CEADMP C[C@H](CCCCO)[NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000679341546 541260395 /nfs/dbraw/zinc/26/03/95/541260395.db2.gz MSUAFHPIGNXNCE-RBSFLKMASA-N 2 1 256.434 2.390 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNc1cc[nH+]cc1C(N)=O ZINC000302212808 201399794 /nfs/dbraw/zinc/39/97/94/201399794.db2.gz HLQLEHLWZAAFRO-ZDUSSCGKSA-N 2 1 290.411 2.247 20 0 CEADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)n(C)n1 ZINC000089182220 363946791 /nfs/dbraw/zinc/94/67/91/363946791.db2.gz JQJYQPHOFNZGTQ-CQSZACIVSA-N 2 1 264.417 2.083 20 0 CEADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)n(C)n1 ZINC000089182220 363946795 /nfs/dbraw/zinc/94/67/95/363946795.db2.gz JQJYQPHOFNZGTQ-CQSZACIVSA-N 2 1 264.417 2.083 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)s1 ZINC000088868430 363925463 /nfs/dbraw/zinc/92/54/63/363925463.db2.gz LVVCEMLNBRDZHC-GFCCVEGCSA-N 2 1 253.415 2.321 20 0 CEADMP CSC1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000090113563 364040402 /nfs/dbraw/zinc/04/04/02/364040402.db2.gz OLBOZYQFFNPIER-MCIONIFRSA-N 2 1 286.485 2.217 20 0 CEADMP COCc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000093088648 364140056 /nfs/dbraw/zinc/14/00/56/364140056.db2.gz UJBNVKHQLNGYBV-UHFFFAOYSA-N 2 1 266.385 2.200 20 0 CEADMP C[C@@H](CO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638754214 370725669 /nfs/dbraw/zinc/72/56/69/370725669.db2.gz VBTQGECWYSEEGF-QRTARXTBSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638754214 370725672 /nfs/dbraw/zinc/72/56/72/370725672.db2.gz VBTQGECWYSEEGF-QRTARXTBSA-N 2 1 274.408 2.325 20 0 CEADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1nccs1 ZINC000093405306 364174757 /nfs/dbraw/zinc/17/47/57/364174757.db2.gz GAROJEQMCLBHGJ-ZDUSSCGKSA-N 2 1 296.484 2.067 20 0 CEADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000334738360 364252811 /nfs/dbraw/zinc/25/28/11/364252811.db2.gz JRUPMCSTNFEAOW-HOTGVXAUSA-N 2 1 259.397 2.415 20 0 CEADMP Cc1cc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000334738360 364252815 /nfs/dbraw/zinc/25/28/15/364252815.db2.gz JRUPMCSTNFEAOW-HOTGVXAUSA-N 2 1 259.397 2.415 20 0 CEADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093770590 364224585 /nfs/dbraw/zinc/22/45/85/364224585.db2.gz SNHYGMWWAPTZRN-CQSZACIVSA-N 2 1 299.422 2.245 20 0 CEADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093770590 364224592 /nfs/dbraw/zinc/22/45/92/364224592.db2.gz SNHYGMWWAPTZRN-CQSZACIVSA-N 2 1 299.422 2.245 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093770590 364224598 /nfs/dbraw/zinc/22/45/98/364224598.db2.gz SNHYGMWWAPTZRN-CQSZACIVSA-N 2 1 299.422 2.245 20 0 CEADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093770590 364224607 /nfs/dbraw/zinc/22/46/07/364224607.db2.gz SNHYGMWWAPTZRN-CQSZACIVSA-N 2 1 299.422 2.245 20 0 CEADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000679997805 541351829 /nfs/dbraw/zinc/35/18/29/541351829.db2.gz WONDOJLHSCAOHN-HUUCEWRRSA-N 2 1 284.469 2.115 20 0 CEADMP c1ncc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000334868879 364280746 /nfs/dbraw/zinc/28/07/46/364280746.db2.gz MWIUXPKAJCREOD-WCQYABFASA-N 2 1 251.399 2.107 20 0 CEADMP c1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000334868879 364280748 /nfs/dbraw/zinc/28/07/48/364280748.db2.gz MWIUXPKAJCREOD-WCQYABFASA-N 2 1 251.399 2.107 20 0 CEADMP Oc1cc(F)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000334867442 364280762 /nfs/dbraw/zinc/28/07/62/364280762.db2.gz FQFHZTBEZXHWAC-CZUORRHYSA-N 2 1 278.371 2.495 20 0 CEADMP Oc1cc(F)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000334867442 364280765 /nfs/dbraw/zinc/28/07/65/364280765.db2.gz FQFHZTBEZXHWAC-CZUORRHYSA-N 2 1 278.371 2.495 20 0 CEADMP C[C@@H]1C[C@H](C[N@@H+](C)C2Cc3ccccc3C2)CC[NH2+]1 ZINC000334873959 364282783 /nfs/dbraw/zinc/28/27/83/364282783.db2.gz LSBIKQRGVXLENI-ZIAGYGMSSA-N 2 1 258.409 2.474 20 0 CEADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000335025376 364368530 /nfs/dbraw/zinc/36/85/30/364368530.db2.gz JTCIUXJARGIEBJ-ZIAGYGMSSA-N 2 1 258.369 2.084 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCN1CC[S@@](=O)C(C)(C)CC1 ZINC000335039448 364387668 /nfs/dbraw/zinc/38/76/68/364387668.db2.gz DRWKNJTYYVGBAU-AUUYWEPGSA-N 2 1 286.485 2.094 20 0 CEADMP CC(C)=CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000335109740 364490625 /nfs/dbraw/zinc/49/06/25/364490625.db2.gz FTNFBYAKEFOWSZ-HNNXBMFYSA-N 2 1 265.445 2.053 20 0 CEADMP C[C@@H](CCO)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000097439598 364500843 /nfs/dbraw/zinc/50/08/43/364500843.db2.gz IVGHUSORCWWGAN-HNNXBMFYSA-N 2 1 276.424 2.259 20 0 CEADMP Cn1ncc(Cl)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000335144417 364537184 /nfs/dbraw/zinc/53/71/84/364537184.db2.gz DTRGUQNWNNDKCJ-CYBMUJFWSA-N 2 1 296.846 2.237 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000102479254 364597509 /nfs/dbraw/zinc/59/75/09/364597509.db2.gz UTCAIEHKURYQTC-QLFBSQMISA-N 2 1 283.460 2.094 20 0 CEADMP CC[NH+](CCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000102479254 364597516 /nfs/dbraw/zinc/59/75/16/364597516.db2.gz UTCAIEHKURYQTC-QLFBSQMISA-N 2 1 283.460 2.094 20 0 CEADMP CC[NH+](CCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000102479254 364597520 /nfs/dbraw/zinc/59/75/20/364597520.db2.gz UTCAIEHKURYQTC-QLFBSQMISA-N 2 1 283.460 2.094 20 0 CEADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)OCC)CC1 ZINC000101726811 364571261 /nfs/dbraw/zinc/57/12/61/364571261.db2.gz LDGXRYOYZMJRFO-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)OCC)CC1 ZINC000101726811 364571264 /nfs/dbraw/zinc/57/12/64/364571264.db2.gz LDGXRYOYZMJRFO-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP COc1ccccc1OCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000104100307 364677642 /nfs/dbraw/zinc/67/76/42/364677642.db2.gz FYCGPMUXHOMZFG-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP COc1ccccc1OCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000104100307 364677643 /nfs/dbraw/zinc/67/76/43/364677643.db2.gz FYCGPMUXHOMZFG-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP COc1ccccc1OCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000104100307 364677647 /nfs/dbraw/zinc/67/76/47/364677647.db2.gz FYCGPMUXHOMZFG-HNNXBMFYSA-N 2 1 292.423 2.348 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(O)cc(F)c1)CC[NH2+]CC2 ZINC000335543042 364801310 /nfs/dbraw/zinc/80/13/10/364801310.db2.gz GPZIEOOKALZIAK-GFCCVEGCSA-N 2 1 278.371 2.495 20 0 CEADMP Cc1ccncc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335634428 212348283 /nfs/dbraw/zinc/34/82/83/212348283.db2.gz OGRCSDRCVIDLIU-HUUCEWRRSA-N 2 1 259.397 2.212 20 0 CEADMP Fc1cncc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335636000 212350574 /nfs/dbraw/zinc/35/05/74/212350574.db2.gz SOFAGOYTFYHHOB-ZIAGYGMSSA-N 2 1 263.360 2.042 20 0 CEADMP [NH3+]CC1(O)CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000335624398 212335954 /nfs/dbraw/zinc/33/59/54/212335954.db2.gz CQWQYLRXOYJBJF-UHFFFAOYSA-N 2 1 289.206 2.279 20 0 CEADMP Cc1ccc(F)cc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000335631434 212345473 /nfs/dbraw/zinc/34/54/73/212345473.db2.gz OREZCIMRTFVPFU-OAHLLOKOSA-N 2 1 292.398 2.321 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000113514177 364901998 /nfs/dbraw/zinc/90/19/98/364901998.db2.gz MSXMYAAODHWOEW-CYBMUJFWSA-N 2 1 285.391 2.324 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000680541745 541421492 /nfs/dbraw/zinc/42/14/92/541421492.db2.gz BOIRPQCNCICQPQ-NSHDSACASA-N 2 1 255.312 2.425 20 0 CEADMP Cc1ncccc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000335809714 365013308 /nfs/dbraw/zinc/01/33/08/365013308.db2.gz PLWAERJYNPKZSQ-UHFFFAOYSA-N 2 1 259.397 2.450 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC2(CCOCC2)C1 ZINC000335917636 365159730 /nfs/dbraw/zinc/15/97/30/365159730.db2.gz FWXKXJBOAKCXQU-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000335917636 365159736 /nfs/dbraw/zinc/15/97/36/365159736.db2.gz FWXKXJBOAKCXQU-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC2(CCOCC2)C1 ZINC000335917636 365159741 /nfs/dbraw/zinc/15/97/41/365159741.db2.gz FWXKXJBOAKCXQU-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP CCCCOCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000119617800 365299914 /nfs/dbraw/zinc/29/99/14/365299914.db2.gz AYDOBZINQUEYGN-YESZJQIVSA-N 2 1 298.471 2.282 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000119748158 365320511 /nfs/dbraw/zinc/32/05/11/365320511.db2.gz MPYMTYSBFFYABZ-KGLIPLIRSA-N 2 1 299.459 2.221 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000119874049 365338486 /nfs/dbraw/zinc/33/84/86/365338486.db2.gz FMLFLKNWQFXLPE-BBRMVZONSA-N 2 1 261.413 2.182 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CCCCC2)[C@@H](C)C1 ZINC000340486644 366903936 /nfs/dbraw/zinc/90/39/36/366903936.db2.gz TVITYSMSMRKYMR-UAGQMJEPSA-N 2 1 282.472 2.495 20 0 CEADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@](C)(c2ccccc2)C1 ZINC000582398729 366904663 /nfs/dbraw/zinc/90/46/63/366904663.db2.gz PCVBBZCMWCTKHD-ZWKOTPCHSA-N 2 1 290.451 2.353 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000582398729 366904678 /nfs/dbraw/zinc/90/46/78/366904678.db2.gz PCVBBZCMWCTKHD-ZWKOTPCHSA-N 2 1 290.451 2.353 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000582398729 366904682 /nfs/dbraw/zinc/90/46/82/366904682.db2.gz PCVBBZCMWCTKHD-ZWKOTPCHSA-N 2 1 290.451 2.353 20 0 CEADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000582394879 366904766 /nfs/dbraw/zinc/90/47/66/366904766.db2.gz UTORIHYVFLAIIW-FHERZECASA-N 2 1 266.429 2.410 20 0 CEADMP COC(C)(C)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000340490190 366906049 /nfs/dbraw/zinc/90/60/49/366906049.db2.gz RRKGQJKCNNCVHW-GFCCVEGCSA-N 2 1 253.390 2.375 20 0 CEADMP CC(C)[NH2+]CCC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000582545008 366924385 /nfs/dbraw/zinc/92/43/85/366924385.db2.gz HVRLYDZSHJKKHJ-XHSDSOJGSA-N 2 1 295.471 2.238 20 0 CEADMP COc1ccc(C[N@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000582554259 366926563 /nfs/dbraw/zinc/92/65/63/366926563.db2.gz HJDQKQYCCAPKFH-UHFFFAOYSA-N 2 1 273.380 2.493 20 0 CEADMP COc1ccc(C[N@@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000582554259 366926568 /nfs/dbraw/zinc/92/65/68/366926568.db2.gz HJDQKQYCCAPKFH-UHFFFAOYSA-N 2 1 273.380 2.493 20 0 CEADMP C[C@@H]([NH2+]Cc1ccncc1OCC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000582600271 366931524 /nfs/dbraw/zinc/93/15/24/366931524.db2.gz KXSNBRMHZAOYSM-VXGBXAGGSA-N 2 1 299.365 2.203 20 0 CEADMP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000340673559 366979799 /nfs/dbraw/zinc/97/97/99/366979799.db2.gz JFGFZHJOXAVBCF-ZBFHGGJFSA-N 2 1 266.429 2.125 20 0 CEADMP c1cc(CCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC000340699832 366994174 /nfs/dbraw/zinc/99/41/74/366994174.db2.gz WCTAZGPFFVLGQQ-SFHVURJKSA-N 2 1 286.419 2.240 20 0 CEADMP C[NH+](C)CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)C(C)(C)C ZINC000584004319 367130360 /nfs/dbraw/zinc/13/03/60/367130360.db2.gz HQCBARFNIIJOCW-MCIONIFRSA-N 2 1 255.450 2.212 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@H]1CCc2ccccc21)C1CC1 ZINC000583867570 367107643 /nfs/dbraw/zinc/10/76/43/367107643.db2.gz SCDGUWLWICBBGC-WBVHZDCISA-N 2 1 288.435 2.151 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@H]1CCc2ccccc21)C1CC1 ZINC000583867570 367107647 /nfs/dbraw/zinc/10/76/47/367107647.db2.gz SCDGUWLWICBBGC-WBVHZDCISA-N 2 1 288.435 2.151 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245566968 370840622 /nfs/dbraw/zinc/84/06/22/370840622.db2.gz FHJIDVFCMMIKQO-JZXOWHBKSA-N 2 1 291.483 2.419 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245566968 370840636 /nfs/dbraw/zinc/84/06/36/370840636.db2.gz FHJIDVFCMMIKQO-JZXOWHBKSA-N 2 1 291.483 2.419 20 0 CEADMP C[NH+]1CCC[C@@H]1CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245566968 370840642 /nfs/dbraw/zinc/84/06/42/370840642.db2.gz FHJIDVFCMMIKQO-JZXOWHBKSA-N 2 1 291.483 2.419 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)Cc3ccccc3)CC[C@@H]21 ZINC000162798735 367191524 /nfs/dbraw/zinc/19/15/24/367191524.db2.gz UISDVANYIRAZCQ-KSZLIROESA-N 2 1 288.435 2.006 20 0 CEADMP CCCC[N@H+](C)C[C@@H](C)Nc1nc(C)[nH+]c(C)c1C ZINC000341153604 367197310 /nfs/dbraw/zinc/19/73/10/367197310.db2.gz XXTJDEDVGZPSKP-LLVKDONJSA-N 2 1 264.417 2.356 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)Nc1nc(C)[nH+]c(C)c1C ZINC000341153604 367197315 /nfs/dbraw/zinc/19/73/15/367197315.db2.gz XXTJDEDVGZPSKP-LLVKDONJSA-N 2 1 264.417 2.356 20 0 CEADMP c1cncc(O[C@@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000163310706 367229879 /nfs/dbraw/zinc/22/98/79/367229879.db2.gz SENCIELJBMJGMR-MRXNPFEDSA-N 2 1 275.396 2.021 20 0 CEADMP c1cncc(O[C@@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000163310706 367229884 /nfs/dbraw/zinc/22/98/84/367229884.db2.gz SENCIELJBMJGMR-MRXNPFEDSA-N 2 1 275.396 2.021 20 0 CEADMP CN(CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCc2c1cnn2C ZINC000163391280 367236246 /nfs/dbraw/zinc/23/62/46/367236246.db2.gz HODXRPCZRKQHQT-DZGCQCFKSA-N 2 1 276.428 2.214 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000163391280 367236249 /nfs/dbraw/zinc/23/62/49/367236249.db2.gz HODXRPCZRKQHQT-DZGCQCFKSA-N 2 1 276.428 2.214 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000163391280 367236254 /nfs/dbraw/zinc/23/62/54/367236254.db2.gz HODXRPCZRKQHQT-DZGCQCFKSA-N 2 1 276.428 2.214 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000163391280 367236256 /nfs/dbraw/zinc/23/62/56/367236256.db2.gz HODXRPCZRKQHQT-DZGCQCFKSA-N 2 1 276.428 2.214 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000163391280 367236260 /nfs/dbraw/zinc/23/62/60/367236260.db2.gz HODXRPCZRKQHQT-DZGCQCFKSA-N 2 1 276.428 2.214 20 0 CEADMP COc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1OC ZINC000163407981 367237853 /nfs/dbraw/zinc/23/78/53/367237853.db2.gz CSUPFAOWDSJYAH-JSGCOSHPSA-N 2 1 278.396 2.121 20 0 CEADMP COc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1OC ZINC000163407981 367237857 /nfs/dbraw/zinc/23/78/57/367237857.db2.gz CSUPFAOWDSJYAH-JSGCOSHPSA-N 2 1 278.396 2.121 20 0 CEADMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000163447829 367240549 /nfs/dbraw/zinc/24/05/49/367240549.db2.gz VLZPUJZZWOBAOQ-DOMZBBRYSA-N 2 1 260.381 2.038 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[NH2+]C(C)C)C1 ZINC000168640567 367357086 /nfs/dbraw/zinc/35/70/86/367357086.db2.gz VKXJJMWBQYAVRB-HNNXBMFYSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000164575893 367290925 /nfs/dbraw/zinc/29/09/25/367290925.db2.gz PMPVCCNLYGHXNS-STQMWFEESA-N 2 1 275.396 2.204 20 0 CEADMP Cc1noc(C)c1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000166682950 367326883 /nfs/dbraw/zinc/32/68/83/367326883.db2.gz CRTCWGNENQWSON-GDBMZVCRSA-N 2 1 277.412 2.250 20 0 CEADMP Cc1noc(C)c1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000166682950 367326884 /nfs/dbraw/zinc/32/68/84/367326884.db2.gz CRTCWGNENQWSON-GDBMZVCRSA-N 2 1 277.412 2.250 20 0 CEADMP Cc1noc(C)c1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000166682950 367326890 /nfs/dbraw/zinc/32/68/90/367326890.db2.gz CRTCWGNENQWSON-GDBMZVCRSA-N 2 1 277.412 2.250 20 0 CEADMP C1CC2(C1)[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)[C@@H]1CCO[C@@H]12 ZINC000631569925 367408561 /nfs/dbraw/zinc/40/85/61/367408561.db2.gz NVRBYADXCMKRCT-QRJUGERDSA-N 2 1 276.424 2.160 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000631575195 367413197 /nfs/dbraw/zinc/41/31/97/367413197.db2.gz CMGMQJNJANWSCZ-KKUMJFAQSA-N 2 1 275.396 2.129 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000342688555 367484351 /nfs/dbraw/zinc/48/43/51/367484351.db2.gz CYCCEAKPMPPAQA-OWCLPIDISA-N 2 1 295.471 2.003 20 0 CEADMP CC1(C)CC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000342708631 367493043 /nfs/dbraw/zinc/49/30/43/367493043.db2.gz LLQJMPMOEYEDIY-ZIAGYGMSSA-N 2 1 254.418 2.002 20 0 CEADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC2(C)C)CCCO1 ZINC000342574554 367428788 /nfs/dbraw/zinc/42/87/88/367428788.db2.gz IKEWFLMDXMBOMY-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC2(C)C)CCCO1 ZINC000342574554 367428796 /nfs/dbraw/zinc/42/87/96/367428796.db2.gz IKEWFLMDXMBOMY-ZIAGYGMSSA-N 2 1 254.418 2.266 20 0 CEADMP CCC1CC([NH2+]CCCCN2CC[NH+](CC)CC2)C1 ZINC000342612820 367450397 /nfs/dbraw/zinc/45/03/97/367450397.db2.gz GZAOVBDYNKHNQE-UHFFFAOYSA-N 2 1 267.461 2.182 20 0 CEADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@]12CCOC2 ZINC000342841404 367565118 /nfs/dbraw/zinc/56/51/18/367565118.db2.gz POPUHFNTBXHADV-QGZVFWFLSA-N 2 1 298.390 2.331 20 0 CEADMP CC1(C)CC[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000342725648 367500723 /nfs/dbraw/zinc/50/07/23/367500723.db2.gz GRBXBUASCCFVNE-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000342766935 367521903 /nfs/dbraw/zinc/52/19/03/367521903.db2.gz YWVKESIVMKZVTJ-KFWWJZLASA-N 2 1 295.471 2.001 20 0 CEADMP Cc1ncsc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335543566 212242260 /nfs/dbraw/zinc/24/22/60/212242260.db2.gz MSTMLGWVLCTLID-LLVKDONJSA-N 2 1 265.426 2.416 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1c(Cl)cnn1C)CC[NH2+]CC2 ZINC000335543477 212242039 /nfs/dbraw/zinc/24/20/39/212242039.db2.gz LQAKZIIWIHUYMK-LLVKDONJSA-N 2 1 282.819 2.038 20 0 CEADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863819 367600016 /nfs/dbraw/zinc/60/00/16/367600016.db2.gz DDEYQALFNWCFON-MRXNPFEDSA-N 2 1 280.387 2.323 20 0 CEADMP CCC[C@H](C)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000342927144 367600302 /nfs/dbraw/zinc/60/03/02/367600302.db2.gz NVIBLGNBSBZXDW-ULQDDVLXSA-N 2 1 281.488 2.380 20 0 CEADMP COc1ccccc1OCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886098 367608848 /nfs/dbraw/zinc/60/88/48/367608848.db2.gz FRFADJZLVOREMS-HUUCEWRRSA-N 2 1 290.407 2.148 20 0 CEADMP COc1ccccc1OCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886098 367608854 /nfs/dbraw/zinc/60/88/54/367608854.db2.gz FRFADJZLVOREMS-HUUCEWRRSA-N 2 1 290.407 2.148 20 0 CEADMP c1ccc(COCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631889570 367611128 /nfs/dbraw/zinc/61/11/28/367611128.db2.gz HMVCDDKNAIKLNE-IAGOWNOFSA-N 2 1 274.408 2.277 20 0 CEADMP COc1cc2c(cc1CN[C@@H]1C[N@@H+](C)C[C@@H]1C)O[C@H](C)C2 ZINC000343265913 367732893 /nfs/dbraw/zinc/73/28/93/367732893.db2.gz PCLMDAFPOBECPD-YWPYICTPSA-N 2 1 290.407 2.058 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H](C)[NH+]2CCCC[C@@H]2C)C1 ZINC000343281437 367740746 /nfs/dbraw/zinc/74/07/46/367740746.db2.gz CWKSMOBRBGAQDD-YHUYYLMFSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H](C)[NH+]2CCCC[C@@H]2C)C1 ZINC000343281437 367740748 /nfs/dbraw/zinc/74/07/48/367740748.db2.gz CWKSMOBRBGAQDD-YHUYYLMFSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000343281437 367740749 /nfs/dbraw/zinc/74/07/49/367740749.db2.gz CWKSMOBRBGAQDD-YHUYYLMFSA-N 2 1 267.461 2.179 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC000343281437 367740752 /nfs/dbraw/zinc/74/07/52/367740752.db2.gz CWKSMOBRBGAQDD-YHUYYLMFSA-N 2 1 267.461 2.179 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000245917269 370886833 /nfs/dbraw/zinc/88/68/33/370886833.db2.gz SBQNBLZTMHSGPC-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000245917269 370886837 /nfs/dbraw/zinc/88/68/37/370886837.db2.gz SBQNBLZTMHSGPC-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000245917269 370886842 /nfs/dbraw/zinc/88/68/42/370886842.db2.gz SBQNBLZTMHSGPC-CVEARBPZSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1cccc(F)c1 ZINC000358019967 370873475 /nfs/dbraw/zinc/87/34/75/370873475.db2.gz MAUAXTPCQVYYTC-DOMZBBRYSA-N 2 1 266.360 2.134 20 0 CEADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(-n2cncn2)cc1 ZINC000343601029 367910106 /nfs/dbraw/zinc/91/01/06/367910106.db2.gz JTMRUNYGOYIFNQ-UHFFFAOYSA-N 2 1 299.422 2.185 20 0 CEADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(-n2cncn2)cc1 ZINC000343601029 367910110 /nfs/dbraw/zinc/91/01/10/367910110.db2.gz JTMRUNYGOYIFNQ-UHFFFAOYSA-N 2 1 299.422 2.185 20 0 CEADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC000343619690 367921471 /nfs/dbraw/zinc/92/14/71/367921471.db2.gz TUPDHEMUVHIETO-LSDHHAIUSA-N 2 1 283.460 2.097 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000343575395 367894649 /nfs/dbraw/zinc/89/46/49/367894649.db2.gz RIRAUYKDHFTVRC-LUKYLMHMSA-N 2 1 281.488 2.284 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC000343694259 367958438 /nfs/dbraw/zinc/95/84/38/367958438.db2.gz OMVYQCJEUOBXNF-HRCADAONSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC000343694259 367958445 /nfs/dbraw/zinc/95/84/45/367958445.db2.gz OMVYQCJEUOBXNF-HRCADAONSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000343694259 367958453 /nfs/dbraw/zinc/95/84/53/367958453.db2.gz OMVYQCJEUOBXNF-HRCADAONSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1C[C@H](C)[C@H](NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000343694259 367958457 /nfs/dbraw/zinc/95/84/57/367958457.db2.gz OMVYQCJEUOBXNF-HRCADAONSA-N 2 1 281.488 2.427 20 0 CEADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000343698910 367960348 /nfs/dbraw/zinc/96/03/48/367960348.db2.gz XIMGUNFEECPKJJ-KFWWJZLASA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000343698910 367960352 /nfs/dbraw/zinc/96/03/52/367960352.db2.gz XIMGUNFEECPKJJ-KFWWJZLASA-N 2 1 267.461 2.037 20 0 CEADMP C[C@@H](CCO)C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCC1 ZINC000344295563 368117892 /nfs/dbraw/zinc/11/78/92/368117892.db2.gz UINWOESLCSIUSV-QKPAOTATSA-N 2 1 282.472 2.494 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCOC)CC2)C12CCC2 ZINC000178818858 368311789 /nfs/dbraw/zinc/31/17/89/368311789.db2.gz NUODCJXANBHHTH-JKSUJKDBSA-N 2 1 296.455 2.035 20 0 CEADMP CCCCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180936756 368403963 /nfs/dbraw/zinc/40/39/63/368403963.db2.gz PZISZEBWSNNQSO-UHFFFAOYSA-N 2 1 255.450 2.134 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cnoc2C)C1 ZINC000181730560 368489376 /nfs/dbraw/zinc/48/93/76/368489376.db2.gz PZABJVVHPIFOND-CYBMUJFWSA-N 2 1 251.374 2.147 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000634120890 368546160 /nfs/dbraw/zinc/54/61/60/368546160.db2.gz QDCIFPTYGPMKAR-OAHLLOKOSA-N 2 1 295.471 2.194 20 0 CEADMP CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000682702680 541702059 /nfs/dbraw/zinc/70/20/59/541702059.db2.gz DDLLOEGLCHXTKE-GOSISDBHSA-N 2 1 287.451 2.192 20 0 CEADMP CCC[C@@H](C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000346621500 368738531 /nfs/dbraw/zinc/73/85/31/368738531.db2.gz MIERLAORKZZSLO-HZPDHXFCSA-N 2 1 297.487 2.297 20 0 CEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)OC)[C@H](C)C1 ZINC000358199555 370947908 /nfs/dbraw/zinc/94/79/08/370947908.db2.gz HXZFSHWUXLXCGR-CABCVRRESA-N 2 1 286.460 2.138 20 0 CEADMP CCOc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1OC ZINC000346693333 368775754 /nfs/dbraw/zinc/77/57/54/368775754.db2.gz MKMSVZQEHHYHDU-TZMCWYRMSA-N 2 1 278.396 2.263 20 0 CEADMP CC(C)n1ncc2cc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)cnc21 ZINC000346694027 368776369 /nfs/dbraw/zinc/77/63/69/368776369.db2.gz RJFQFDPDVWQPNR-OLZOCXBDSA-N 2 1 287.411 2.181 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@H]2CCCO2)[C@@H](C)C1 ZINC000347357308 368807281 /nfs/dbraw/zinc/80/72/81/368807281.db2.gz LIZIRBNMKXAHJK-YJNKXOJESA-N 2 1 254.418 2.264 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634678915 368809389 /nfs/dbraw/zinc/80/93/89/368809389.db2.gz HAWHPSNQWRKRHW-ZDUSSCGKSA-N 2 1 251.374 2.129 20 0 CEADMP CC(C)[C@@H]1C[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715419 368835730 /nfs/dbraw/zinc/83/57/30/368835730.db2.gz CFEDCJNUTULYLD-KSZLIROESA-N 2 1 288.435 2.258 20 0 CEADMP CC(C)[C@@H]1C[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715419 368835736 /nfs/dbraw/zinc/83/57/36/368835736.db2.gz CFEDCJNUTULYLD-KSZLIROESA-N 2 1 288.435 2.258 20 0 CEADMP CC1(C)C[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634644439 368792843 /nfs/dbraw/zinc/79/28/43/368792843.db2.gz VJICLWLBBLCJNH-DOTOQJQBSA-N 2 1 274.408 2.012 20 0 CEADMP CC1(C)C[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634644439 368792847 /nfs/dbraw/zinc/79/28/47/368792847.db2.gz VJICLWLBBLCJNH-DOTOQJQBSA-N 2 1 274.408 2.012 20 0 CEADMP CC[C@H]1CO[C@H](C)C[N@H+]1CCCCn1ccnc1C ZINC000348036968 368867457 /nfs/dbraw/zinc/86/74/57/368867457.db2.gz AZCPMCNPQZPQJH-HIFRSBDPSA-N 2 1 265.401 2.471 20 0 CEADMP CC[C@H]1CO[C@H](C)C[N@H+]1CCCCn1cc[nH+]c1C ZINC000348036968 368867461 /nfs/dbraw/zinc/86/74/61/368867461.db2.gz AZCPMCNPQZPQJH-HIFRSBDPSA-N 2 1 265.401 2.471 20 0 CEADMP C[C@H]([NH2+]CCN1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348070435 368884358 /nfs/dbraw/zinc/88/43/58/368884358.db2.gz DGCQMDVZEVOEDV-FUHWJXTLSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@@H]([NH2+]CCN1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348070427 368884378 /nfs/dbraw/zinc/88/43/78/368884378.db2.gz DGCQMDVZEVOEDV-AEFFLSMTSA-N 2 1 287.451 2.192 20 0 CEADMP C[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)[C@@H]1CCC[NH3+] ZINC000634811965 368900751 /nfs/dbraw/zinc/90/07/51/368900751.db2.gz VVSKBOJTFVIBAR-DGCLKSJQSA-N 2 1 273.384 2.302 20 0 CEADMP CCC[NH+]1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634733933 368846640 /nfs/dbraw/zinc/84/66/40/368846640.db2.gz SAXIRVZRTQZUAV-HNNXBMFYSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@](C)(CO)c1ccccc1 ZINC000348256848 368971311 /nfs/dbraw/zinc/97/13/11/368971311.db2.gz NHWCQOVJZWIRQM-LMSBXDPUSA-N 2 1 290.451 2.255 20 0 CEADMP CC1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)COC1 ZINC000348316301 368998738 /nfs/dbraw/zinc/99/87/38/368998738.db2.gz JHBYQAGINZRZOG-CALCHBBNSA-N 2 1 286.419 2.087 20 0 CEADMP CC1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)COC1 ZINC000348316301 368998740 /nfs/dbraw/zinc/99/87/40/368998740.db2.gz JHBYQAGINZRZOG-CALCHBBNSA-N 2 1 286.419 2.087 20 0 CEADMP CC1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)COC1 ZINC000348316301 368998744 /nfs/dbraw/zinc/99/87/44/368998744.db2.gz JHBYQAGINZRZOG-CALCHBBNSA-N 2 1 286.419 2.087 20 0 CEADMP CC[C@H](OCC[NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000634996428 369026620 /nfs/dbraw/zinc/02/66/20/369026620.db2.gz JKUJOGSZQCENJT-WIHSUSGWSA-N 2 1 274.408 2.496 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2nccc3ccccc32)C[C@@H]1C[NH3+] ZINC000634998236 369030105 /nfs/dbraw/zinc/03/01/05/369030105.db2.gz CIXZNTARDXHRRU-OCCSQVGLSA-N 2 1 255.365 2.261 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@H](N[C@H](C)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000635010935 369048810 /nfs/dbraw/zinc/04/88/10/369048810.db2.gz BWEXRPWHCLZYEW-KBAYOESNSA-N 2 1 287.451 2.299 20 0 CEADMP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cnccc1N ZINC000635004885 369041521 /nfs/dbraw/zinc/04/15/21/369041521.db2.gz GCVKNASZKVUFJC-DZGCQCFKSA-N 2 1 284.407 2.105 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635008206 369043850 /nfs/dbraw/zinc/04/38/50/369043850.db2.gz RWWFVZUIHYNZDJ-TZMCWYRMSA-N 2 1 290.455 2.278 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@H](C)C1 ZINC000635011949 369049648 /nfs/dbraw/zinc/04/96/48/369049648.db2.gz RNXNMOXUXDVPAU-KDOFPFPSSA-N 3 1 287.451 2.152 20 0 CEADMP CC[N@@H+]1CC[C@H](NCc2cccc3c2CC[NH2+]C3)[C@H](C)C1 ZINC000635011949 369049655 /nfs/dbraw/zinc/04/96/55/369049655.db2.gz RNXNMOXUXDVPAU-KDOFPFPSSA-N 2 1 287.451 2.152 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2cccc3c2CC[NH2+]C3)[C@H](C)C1 ZINC000635011949 369049662 /nfs/dbraw/zinc/04/96/62/369049662.db2.gz RNXNMOXUXDVPAU-KDOFPFPSSA-N 2 1 287.451 2.152 20 0 CEADMP CCN1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@H](C)C1 ZINC000635011949 369049668 /nfs/dbraw/zinc/04/96/68/369049668.db2.gz RNXNMOXUXDVPAU-KDOFPFPSSA-N 2 1 287.451 2.152 20 0 CEADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000348788343 369158987 /nfs/dbraw/zinc/15/89/87/369158987.db2.gz ZNEPKNTYCKUYTA-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000348788343 369158992 /nfs/dbraw/zinc/15/89/92/369158992.db2.gz ZNEPKNTYCKUYTA-HOTGVXAUSA-N 2 1 295.471 2.050 20 0 CEADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635475219 369185763 /nfs/dbraw/zinc/18/57/63/369185763.db2.gz ZJUPBLBIVDSTSE-HNNXBMFYSA-N 2 1 295.471 2.099 20 0 CEADMP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)CC(C)C ZINC000635556359 369218610 /nfs/dbraw/zinc/21/86/10/369218610.db2.gz NGFFMWZCGYOLGT-CVEARBPZSA-N 2 1 297.487 2.201 20 0 CEADMP COc1cc(C)nc(C[N@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000349143479 369250370 /nfs/dbraw/zinc/25/03/70/369250370.db2.gz BLHDBSMQNKSGOD-ZDUSSCGKSA-N 2 1 286.379 2.122 20 0 CEADMP COc1c(O)cccc1C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000349196486 369263168 /nfs/dbraw/zinc/26/31/68/369263168.db2.gz VCEHZFGBWCROPV-CYBMUJFWSA-N 2 1 287.363 2.124 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1nccnc1C ZINC000188068719 369289761 /nfs/dbraw/zinc/28/97/61/369289761.db2.gz CHACSVKHIUBGKX-GFCCVEGCSA-N 2 1 273.384 2.421 20 0 CEADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)o1 ZINC000349318978 369297259 /nfs/dbraw/zinc/29/72/59/369297259.db2.gz SIPPUDLPRMKXPH-UHFFFAOYSA-N 2 1 285.819 2.002 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Cn1ccnc1C(C)C ZINC000635947651 369417516 /nfs/dbraw/zinc/41/75/16/369417516.db2.gz KNZRJCHQACCJMU-AWEZNQCLSA-N 2 1 294.443 2.243 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000635947651 369417524 /nfs/dbraw/zinc/41/75/24/369417524.db2.gz KNZRJCHQACCJMU-AWEZNQCLSA-N 2 1 294.443 2.243 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000635947651 369417525 /nfs/dbraw/zinc/41/75/25/369417525.db2.gz KNZRJCHQACCJMU-AWEZNQCLSA-N 2 1 294.443 2.243 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(SC)CCOCC2)[C@@H](C)C1 ZINC000246373571 370951950 /nfs/dbraw/zinc/95/19/50/370951950.db2.gz JMXJHGOAXDOLKQ-UONOGXRCSA-N 2 1 286.485 2.219 20 0 CEADMP Cn1ccnc1[C@H](C1CC1)[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000639081558 370954496 /nfs/dbraw/zinc/95/44/96/370954496.db2.gz IVPKNLVIKQFBOA-HNNXBMFYSA-N 2 1 288.439 2.431 20 0 CEADMP CCC[N@@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000349995381 369478946 /nfs/dbraw/zinc/47/89/46/369478946.db2.gz XWGXJZFGOMGCOG-INIZCTEOSA-N 2 1 297.487 2.345 20 0 CEADMP CCOC(=O)[C@@H](CC)[N@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000276210354 193244330 /nfs/dbraw/zinc/24/43/30/193244330.db2.gz HQHVZIHPXXAJKD-OAHLLOKOSA-N 2 1 293.411 2.388 20 0 CEADMP CCOC(=O)[C@@H](CC)[N@@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000276210354 193244332 /nfs/dbraw/zinc/24/43/32/193244332.db2.gz HQHVZIHPXXAJKD-OAHLLOKOSA-N 2 1 293.411 2.388 20 0 CEADMP COc1c[nH+]ccc1N1CC[NH+](Cc2cccnc2C)CC1 ZINC000352349995 369684504 /nfs/dbraw/zinc/68/45/04/369684504.db2.gz OBTQGWOUZJBTNX-UHFFFAOYSA-N 2 1 298.390 2.116 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000191805478 369744524 /nfs/dbraw/zinc/74/45/24/369744524.db2.gz MQVPCXSXDNPYHP-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000191805478 369744526 /nfs/dbraw/zinc/74/45/26/369744526.db2.gz MQVPCXSXDNPYHP-AWEZNQCLSA-N 2 1 284.444 2.382 20 0 CEADMP Cc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])ccc1-n1cncn1 ZINC000352526903 369773991 /nfs/dbraw/zinc/77/39/91/369773991.db2.gz TWGWQYAOQSAHOR-INIZCTEOSA-N 2 1 299.422 2.279 20 0 CEADMP C[C@@H]1C[C@H](C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000352485214 369752935 /nfs/dbraw/zinc/75/29/35/369752935.db2.gz ARMTTYBJILFVFM-UKRRQHHQSA-N 2 1 289.423 2.417 20 0 CEADMP CC(C)N1CCC[C@@H]([N@@H+](CCC[NH3+])CC2CCCC2)C1=O ZINC000352520178 369770843 /nfs/dbraw/zinc/77/08/43/369770843.db2.gz WESPRDYLBIBHMV-MRXNPFEDSA-N 2 1 295.471 2.227 20 0 CEADMP CN(CC1CCCCC1)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352520220 369771079 /nfs/dbraw/zinc/77/10/79/369771079.db2.gz WNYFWDZDOOMIKO-INIZCTEOSA-N 2 1 295.471 2.228 20 0 CEADMP CN(CC1CCCCC1)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352520220 369771085 /nfs/dbraw/zinc/77/10/85/369771085.db2.gz WNYFWDZDOOMIKO-INIZCTEOSA-N 2 1 295.471 2.228 20 0 CEADMP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000191613178 369726775 /nfs/dbraw/zinc/72/67/75/369726775.db2.gz LYIRCMDZVJDXDJ-RCCFBDPRSA-N 2 1 288.435 2.115 20 0 CEADMP [NH3+]CCC[N@@H+](CC[C@@H]1CCOC1)CC1CCCC1 ZINC000352535482 369775947 /nfs/dbraw/zinc/77/59/47/369775947.db2.gz RBTBWBXVHMPOLV-OAHLLOKOSA-N 2 1 254.418 2.254 20 0 CEADMP C[C@@H](C[NH2+][C@@H](C)c1ccnn1C)C[NH+]1CCCCC1 ZINC000192250361 369785468 /nfs/dbraw/zinc/78/54/68/369785468.db2.gz WIVLNHSTNLEVTR-KBPBESRZSA-N 2 1 264.417 2.193 20 0 CEADMP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1n[nH]cc1C ZINC000352843608 369908832 /nfs/dbraw/zinc/90/88/32/369908832.db2.gz ZZHNYYJOKPHAGR-ZDUSSCGKSA-N 2 1 252.406 2.318 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000193123447 369895843 /nfs/dbraw/zinc/89/58/43/369895843.db2.gz DGWTXCIZYYVYLH-KBPBESRZSA-N 2 1 256.434 2.369 20 0 CEADMP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000193969152 369996111 /nfs/dbraw/zinc/99/61/11/369996111.db2.gz LJOUVJNGBAWSDW-LCGIIJARSA-N 2 1 276.424 2.018 20 0 CEADMP CC[NH+](CC)CCC[NH2+][C@H](CCO)c1ccccc1 ZINC000276897239 193492291 /nfs/dbraw/zinc/49/22/91/193492291.db2.gz LCQCGHNSIPFISZ-MRXNPFEDSA-N 2 1 264.413 2.432 20 0 CEADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000194998555 370095061 /nfs/dbraw/zinc/09/50/61/370095061.db2.gz FHSOMOXRSNFPGS-ZVDSWSACSA-N 2 1 268.445 2.367 20 0 CEADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000194998555 370095063 /nfs/dbraw/zinc/09/50/63/370095063.db2.gz FHSOMOXRSNFPGS-ZVDSWSACSA-N 2 1 268.445 2.367 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)N(CC)CC ZINC000353997231 370169498 /nfs/dbraw/zinc/16/94/98/370169498.db2.gz QWXAHDIBNVNEGH-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)N(CC)CC ZINC000353997231 370169504 /nfs/dbraw/zinc/16/95/04/370169504.db2.gz QWXAHDIBNVNEGH-CABCVRRESA-N 2 1 283.460 2.097 20 0 CEADMP c1ccc([C@@H]2C[C@@H]2C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC000353698965 370122260 /nfs/dbraw/zinc/12/22/60/370122260.db2.gz AADOIDYMERYNNW-NCOADZHNSA-N 2 1 256.393 2.474 20 0 CEADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC000353698965 370122265 /nfs/dbraw/zinc/12/22/65/370122265.db2.gz AADOIDYMERYNNW-NCOADZHNSA-N 2 1 256.393 2.474 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000354081792 370208799 /nfs/dbraw/zinc/20/87/99/370208799.db2.gz HVZSYOLBPWMTBT-INIZCTEOSA-N 2 1 277.412 2.014 20 0 CEADMP [NH3+][C@@H]1CCC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000222900830 370258394 /nfs/dbraw/zinc/25/83/94/370258394.db2.gz UMPALOWVUFQVDU-ILXRZTDVSA-N 2 1 277.412 2.276 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@H]2C)C1 ZINC000354213134 370261908 /nfs/dbraw/zinc/26/19/08/370261908.db2.gz VLHWFMISPWBGRK-KLHDSHLOSA-N 2 1 296.455 2.286 20 0 CEADMP CC(C)CC[C@H]([NH3+])C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000638127347 370322238 /nfs/dbraw/zinc/32/22/38/370322238.db2.gz VCCHTFDAUMDJMM-CABCVRRESA-N 2 1 283.460 2.083 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CCOCC2)C[C@@H]1C ZINC000638110158 370306653 /nfs/dbraw/zinc/30/66/53/370306653.db2.gz JCHYDBOALMJBJW-BHYGNILZSA-N 2 1 298.471 2.233 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](OC)C2CCOCC2)C[C@@H]1C ZINC000638110158 370306656 /nfs/dbraw/zinc/30/66/56/370306656.db2.gz JCHYDBOALMJBJW-BHYGNILZSA-N 2 1 298.471 2.233 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](OC)C2CCOCC2)C[C@@H]1C ZINC000638110158 370306659 /nfs/dbraw/zinc/30/66/59/370306659.db2.gz JCHYDBOALMJBJW-BHYGNILZSA-N 2 1 298.471 2.233 20 0 CEADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638110525 370307855 /nfs/dbraw/zinc/30/78/55/370307855.db2.gz GCERFTVHVLATKX-ZFWWWQNUSA-N 2 1 293.455 2.051 20 0 CEADMP CC1CC[NH+](CC(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000354309610 370309627 /nfs/dbraw/zinc/30/96/27/370309627.db2.gz BTDVQEASCCSISE-UHFFFAOYSA-N 2 1 295.471 2.099 20 0 CEADMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000354410478 370351203 /nfs/dbraw/zinc/35/12/03/370351203.db2.gz DMTIZDGRBFLGKS-SOUVJXGZSA-N 2 1 284.444 2.286 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000354410478 370351205 /nfs/dbraw/zinc/35/12/05/370351205.db2.gz DMTIZDGRBFLGKS-SOUVJXGZSA-N 2 1 284.444 2.286 20 0 CEADMP C[C@H](O)CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000228034764 370392889 /nfs/dbraw/zinc/39/28/89/370392889.db2.gz AARPIYRGZLZMSH-INIZCTEOSA-N 2 1 290.451 2.444 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(CC)OC)C1 ZINC000638128914 370324186 /nfs/dbraw/zinc/32/41/86/370324186.db2.gz ZKHSFUIALUKPGI-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@](C)(CC)OC)C1 ZINC000638128914 370324189 /nfs/dbraw/zinc/32/41/89/370324189.db2.gz ZKHSFUIALUKPGI-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@](C)(CC)OC)C1 ZINC000638128914 370324192 /nfs/dbraw/zinc/32/41/92/370324192.db2.gz ZKHSFUIALUKPGI-LSDHHAIUSA-N 2 1 256.434 2.465 20 0 CEADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000638291525 370427415 /nfs/dbraw/zinc/42/74/15/370427415.db2.gz QMKGPSUXPHVSJX-HUUCEWRRSA-N 2 1 295.471 2.288 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229091746 370419077 /nfs/dbraw/zinc/41/90/77/370419077.db2.gz STZPPWUGRHODFL-CVEARBPZSA-N 2 1 297.487 2.332 20 0 CEADMP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229091746 370419079 /nfs/dbraw/zinc/41/90/79/370419079.db2.gz STZPPWUGRHODFL-CVEARBPZSA-N 2 1 297.487 2.332 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccnc(OC)c2)C1 ZINC000638408745 370507754 /nfs/dbraw/zinc/50/77/54/370507754.db2.gz CXPUGLQSHBKEPM-GDBMZVCRSA-N 2 1 291.439 2.343 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355202656 370547452 /nfs/dbraw/zinc/54/74/52/370547452.db2.gz POYPSMPATUMUFV-SJLPKXTDSA-N 2 1 298.434 2.383 20 0 CEADMP CC(C)C[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000236680798 370607058 /nfs/dbraw/zinc/60/70/58/370607058.db2.gz NBJWLAWUFRHPFO-GJZGRUSLSA-N 2 1 283.460 2.131 20 0 CEADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000638588030 370622179 /nfs/dbraw/zinc/62/21/79/370622179.db2.gz JJCGQWKQPBGZLQ-IRXDYDNUSA-N 2 1 276.424 2.176 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000638589085 370623069 /nfs/dbraw/zinc/62/30/69/370623069.db2.gz QTIXHMGBRQUFGB-ARFHVFGLSA-N 2 1 295.471 2.288 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000638589085 370623078 /nfs/dbraw/zinc/62/30/78/370623078.db2.gz QTIXHMGBRQUFGB-ARFHVFGLSA-N 2 1 295.471 2.288 20 0 CEADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000638589714 370624197 /nfs/dbraw/zinc/62/41/97/370624197.db2.gz XRQOLPWLOLYNQI-UKRRQHHQSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)C1(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000638619746 370638507 /nfs/dbraw/zinc/63/85/07/370638507.db2.gz NNLAMOZNTVZPCQ-HNNXBMFYSA-N 2 1 268.445 2.249 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC12CCOCC2 ZINC000683524562 541823627 /nfs/dbraw/zinc/82/36/27/541823627.db2.gz FKRLXPIKGHZTCO-UHFFFAOYSA-N 2 1 263.385 2.227 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC12CCOCC2 ZINC000683524562 541823630 /nfs/dbraw/zinc/82/36/30/541823630.db2.gz FKRLXPIKGHZTCO-UHFFFAOYSA-N 2 1 263.385 2.227 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCCC[C@H]2O)CC[N@H+]1C ZINC000358306642 371004279 /nfs/dbraw/zinc/00/42/79/371004279.db2.gz OHDICFSSSPDWIF-KLHDSHLOSA-N 2 1 268.445 2.390 20 0 CEADMP CC[N@H+]1C[C@H](NC[C@@H]2CCCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000358340910 371022801 /nfs/dbraw/zinc/02/28/01/371022801.db2.gz MYGASOZLDIMOMH-ULQDDVLXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@@H+]1C[C@H](NC[C@@H]2CCCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000358340910 371022808 /nfs/dbraw/zinc/02/28/08/371022808.db2.gz MYGASOZLDIMOMH-ULQDDVLXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1C[C@H](NC[C@@H]2CCCC[N@@H+]2CC(C)C)[C@@H](C)C1 ZINC000358340910 371022815 /nfs/dbraw/zinc/02/28/15/371022815.db2.gz MYGASOZLDIMOMH-ULQDDVLXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[NH+]1C[C@H](NC[C@@H]2CCCC[N@H+]2CC(C)C)[C@@H](C)C1 ZINC000358340910 371022818 /nfs/dbraw/zinc/02/28/18/371022818.db2.gz MYGASOZLDIMOMH-ULQDDVLXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ncccc23)[C@H](C)C1 ZINC000358344022 371025936 /nfs/dbraw/zinc/02/59/36/371025936.db2.gz IHUCWNOVEDHIRU-CJNGLKHVSA-N 2 1 286.423 2.425 20 0 CEADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC000358354242 371031545 /nfs/dbraw/zinc/03/15/45/371031545.db2.gz PJFBXTXTLUWGLR-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000358354242 371031552 /nfs/dbraw/zinc/03/15/52/371031552.db2.gz PJFBXTXTLUWGLR-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000358354242 371031556 /nfs/dbraw/zinc/03/15/56/371031556.db2.gz PJFBXTXTLUWGLR-HUUCEWRRSA-N 2 1 283.460 2.097 20 0 CEADMP CC[N@H+]1CC[C@@H](NCC[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000246955067 371036391 /nfs/dbraw/zinc/03/63/91/371036391.db2.gz IGUDNHZGGTZKSL-JKSUJKDBSA-N 2 1 267.461 2.182 20 0 CEADMP CN(CC[N@@H+](C)CC1CCSCC1)C1CC[NH+](C)CC1 ZINC000639170782 371042698 /nfs/dbraw/zinc/04/26/98/371042698.db2.gz YBMHSROVLWZAKY-UHFFFAOYSA-N 2 1 299.528 2.087 20 0 CEADMP Cc1cccc(NCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000358410738 371054990 /nfs/dbraw/zinc/05/49/90/371054990.db2.gz XJOQRKDLYQTSNI-BPLDGKMQSA-N 2 1 276.428 2.120 20 0 CEADMP CO[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)C1CCCC1 ZINC000639179407 371059363 /nfs/dbraw/zinc/05/93/63/371059363.db2.gz SRHQCGJVOFJGFO-FVQBIDKESA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)C1CCCC1 ZINC000639179407 371059366 /nfs/dbraw/zinc/05/93/66/371059366.db2.gz SRHQCGJVOFJGFO-FVQBIDKESA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C)C1CCCC1 ZINC000639179407 371059371 /nfs/dbraw/zinc/05/93/71/371059371.db2.gz SRHQCGJVOFJGFO-FVQBIDKESA-N 2 1 268.445 2.464 20 0 CEADMP CO[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C)C1CCCC1 ZINC000639179407 371059373 /nfs/dbraw/zinc/05/93/73/371059373.db2.gz SRHQCGJVOFJGFO-FVQBIDKESA-N 2 1 268.445 2.464 20 0 CEADMP CC[N@H+]1CC[C@H](NC[C@H](C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000247105975 371065231 /nfs/dbraw/zinc/06/52/31/371065231.db2.gz SSYCNHBWIHBVMM-ULQDDVLXSA-N 2 1 281.488 2.427 20 0 CEADMP CC[N@H+]1CC[C@@H](NCc2cccnc2-n2cccn2)[C@@H](C)C1 ZINC000247136797 371069358 /nfs/dbraw/zinc/06/93/58/371069358.db2.gz SACJQIXDTKWVJU-GOEBONIOSA-N 2 1 299.422 2.087 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2-n2cccn2)[C@@H](C)C1 ZINC000247136797 371069368 /nfs/dbraw/zinc/06/93/68/371069368.db2.gz SACJQIXDTKWVJU-GOEBONIOSA-N 2 1 299.422 2.087 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)CC[N@@H+]1C ZINC000639247906 371145285 /nfs/dbraw/zinc/14/52/85/371145285.db2.gz AGLCIVAESYKCES-LJIGWXMPSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)CC[N@H+]1C ZINC000639247906 371145291 /nfs/dbraw/zinc/14/52/91/371145291.db2.gz AGLCIVAESYKCES-LJIGWXMPSA-N 2 1 289.423 2.374 20 0 CEADMP Cc1noc(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247944655 371149397 /nfs/dbraw/zinc/14/93/97/371149397.db2.gz DKUKRTOOYCFPFC-ZFWWWQNUSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1noc(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247944655 371149399 /nfs/dbraw/zinc/14/93/99/371149399.db2.gz DKUKRTOOYCFPFC-ZFWWWQNUSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247944655 371149402 /nfs/dbraw/zinc/14/94/02/371149402.db2.gz DKUKRTOOYCFPFC-ZFWWWQNUSA-N 2 1 263.385 2.208 20 0 CEADMP Cc1noc(C)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247944655 371149407 /nfs/dbraw/zinc/14/94/07/371149407.db2.gz DKUKRTOOYCFPFC-ZFWWWQNUSA-N 2 1 263.385 2.208 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2)[C@@H](C)C1 ZINC000248030151 371155393 /nfs/dbraw/zinc/15/53/93/371155393.db2.gz QDIDULVWCOEHIP-GOEBONIOSA-N 2 1 262.397 2.385 20 0 CEADMP CO[C@@H](C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CC(C)C ZINC000639256785 371156952 /nfs/dbraw/zinc/15/69/52/371156952.db2.gz FUJOPLYWDZTURB-LSDHHAIUSA-N 2 1 256.434 2.369 20 0 CEADMP C[C@@H]1C[C@H](N(CC[NH3+])c2ccc3ccccc3n2)CC[N@H+]1C ZINC000639261790 371162817 /nfs/dbraw/zinc/16/28/17/371162817.db2.gz NPMKAYFHNQNGFI-GDBMZVCRSA-N 2 1 298.434 2.483 20 0 CEADMP C[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248409990 371188998 /nfs/dbraw/zinc/18/89/98/371188998.db2.gz CWMUYFXYLNRAQZ-DZUCGIPZSA-N 2 1 274.408 2.152 20 0 CEADMP CC(C)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248437910 371195522 /nfs/dbraw/zinc/19/55/22/371195522.db2.gz HKTLSCSZEDEIPA-WMLDXEAASA-N 2 1 276.424 2.387 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248539395 371207567 /nfs/dbraw/zinc/20/75/67/371207567.db2.gz ARHMDJWVZVNECF-OWCLPIDISA-N 2 1 267.461 2.323 20 0 CEADMP CN(CCC[N@H+](C)Cc1cc(F)ccc1F)CC[NH+](C)C ZINC000344027287 217014470 /nfs/dbraw/zinc/01/44/70/217014470.db2.gz KWHAZZJNBXPYLL-UHFFFAOYSA-N 2 1 299.409 2.280 20 0 CEADMP CN(CCC[N@@H+](C)Cc1cc(F)ccc1F)CC[NH+](C)C ZINC000344027287 217014472 /nfs/dbraw/zinc/01/44/72/217014472.db2.gz KWHAZZJNBXPYLL-UHFFFAOYSA-N 2 1 299.409 2.280 20 0 CEADMP C[N@H+]1CCCC[C@H](CNCc2cccn(C(F)F)c2=O)C1 ZINC000639348422 371261351 /nfs/dbraw/zinc/26/13/51/371261351.db2.gz XHJSQGNRQKPDOD-GFCCVEGCSA-N 2 1 299.365 2.065 20 0 CEADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000639348422 371261356 /nfs/dbraw/zinc/26/13/56/371261356.db2.gz XHJSQGNRQKPDOD-GFCCVEGCSA-N 2 1 299.365 2.065 20 0 CEADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000639348422 371261357 /nfs/dbraw/zinc/26/13/57/371261357.db2.gz XHJSQGNRQKPDOD-GFCCVEGCSA-N 2 1 299.365 2.065 20 0 CEADMP CC[NH2+][C@H](C)CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000358911994 371263201 /nfs/dbraw/zinc/26/32/01/371263201.db2.gz FCMADAXAVQAEBJ-BXUZGUMPSA-N 2 1 297.830 2.057 20 0 CEADMP CO[C@@H]1CC[N@H+](CCCC2CCCC2)[C@@H](C[NH3+])C1 ZINC000359047338 371317544 /nfs/dbraw/zinc/31/75/44/371317544.db2.gz SZDLNISFJPYMJJ-HUUCEWRRSA-N 2 1 254.418 2.395 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@@H](C[NH3+])C1 ZINC000359047338 371317551 /nfs/dbraw/zinc/31/75/51/371317551.db2.gz SZDLNISFJPYMJJ-HUUCEWRRSA-N 2 1 254.418 2.395 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000639501165 371366196 /nfs/dbraw/zinc/36/61/96/371366196.db2.gz SYGDCYAZZOFSEO-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000639501165 371366201 /nfs/dbraw/zinc/36/62/01/371366201.db2.gz SYGDCYAZZOFSEO-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@@H]1OCC[C@@H]1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000639501165 371366205 /nfs/dbraw/zinc/36/62/05/371366205.db2.gz SYGDCYAZZOFSEO-ZNMIVQPWSA-N 2 1 254.418 2.218 20 0 CEADMP c1ccc2c(c1)OC[C@@H]2C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250835486 371392764 /nfs/dbraw/zinc/39/27/64/371392764.db2.gz ACGZMHOXLIMWCC-ZNMIVQPWSA-N 2 1 272.392 2.379 20 0 CEADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251202478 371398361 /nfs/dbraw/zinc/39/83/61/371398361.db2.gz KZGHOUWTTNFZGF-QLFBSQMISA-N 3 1 255.450 2.227 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000251530111 371405286 /nfs/dbraw/zinc/40/52/86/371405286.db2.gz AICKNWLQBZVVGH-IKGGRYGDSA-N 2 1 276.424 2.182 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000251530111 371405288 /nfs/dbraw/zinc/40/52/88/371405288.db2.gz AICKNWLQBZVVGH-IKGGRYGDSA-N 2 1 276.424 2.182 20 0 CEADMP C[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251886697 371421015 /nfs/dbraw/zinc/42/10/15/371421015.db2.gz VFMFLWLMYMVRNH-IUODEOHRSA-N 2 1 266.360 2.264 20 0 CEADMP CC(C)Oc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359297576 371417496 /nfs/dbraw/zinc/41/74/96/371417496.db2.gz DNFWZYYNHYEOFA-GASCZTMLSA-N 2 1 260.381 2.125 20 0 CEADMP CC(C)Oc1ccccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359297576 371417500 /nfs/dbraw/zinc/41/75/00/371417500.db2.gz DNFWZYYNHYEOFA-GASCZTMLSA-N 2 1 260.381 2.125 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC(C)(C)CO2)CC[N@@H+]1C ZINC000639509895 371373217 /nfs/dbraw/zinc/37/32/17/371373217.db2.gz PJTWNENBTHJBOH-MGPQQGTHSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC(C)(C)CO2)CC[N@H+]1C ZINC000639509895 371373219 /nfs/dbraw/zinc/37/32/19/371373219.db2.gz PJTWNENBTHJBOH-MGPQQGTHSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC(C)(C)CO2)CC[NH+]1C ZINC000639509895 371373222 /nfs/dbraw/zinc/37/32/22/371373222.db2.gz PJTWNENBTHJBOH-MGPQQGTHSA-N 2 1 254.418 2.216 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC(C)(C)CO2)CC[NH+]1C ZINC000639509895 371373224 /nfs/dbraw/zinc/37/32/24/371373224.db2.gz PJTWNENBTHJBOH-MGPQQGTHSA-N 2 1 254.418 2.216 20 0 CEADMP C[N@@H+](CCC1CC[NH2+]CC1)C1Cc2ccccc2C1 ZINC000359215984 371378228 /nfs/dbraw/zinc/37/82/28/371378228.db2.gz JFPWHMNCFYONHU-UHFFFAOYSA-N 2 1 258.409 2.475 20 0 CEADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250384589 371383673 /nfs/dbraw/zinc/38/36/73/371383673.db2.gz XIDWZQWKLUKCOK-QBPKDAKJSA-N 2 1 279.472 2.371 20 0 CEADMP CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250384589 371383675 /nfs/dbraw/zinc/38/36/75/371383675.db2.gz XIDWZQWKLUKCOK-QBPKDAKJSA-N 2 1 279.472 2.371 20 0 CEADMP CCC[N@@H+](C)CC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000359315653 371425364 /nfs/dbraw/zinc/42/53/64/371425364.db2.gz FNVRFITUWYSIRW-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCC[NH+](C)CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000359315653 371425367 /nfs/dbraw/zinc/42/53/67/371425367.db2.gz FNVRFITUWYSIRW-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CCC[NH+](C)CC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000359315653 371425368 /nfs/dbraw/zinc/42/53/68/371425368.db2.gz FNVRFITUWYSIRW-OAHLLOKOSA-N 2 1 283.460 2.099 20 0 CEADMP CO[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC000252018575 371430004 /nfs/dbraw/zinc/43/00/04/371430004.db2.gz YLXXFGLLRYOLPO-LSDHHAIUSA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COc3ccccc32)CC[N@H+]1C ZINC000252202322 371434987 /nfs/dbraw/zinc/43/49/87/371434987.db2.gz WMYHHUIDPTVTBR-RDBSUJKOSA-N 2 1 260.381 2.235 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000252520236 371453135 /nfs/dbraw/zinc/45/31/35/371453135.db2.gz JTGIQBYYYNRTRX-NXHRZFHOSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000252520236 371453139 /nfs/dbraw/zinc/45/31/39/371453139.db2.gz JTGIQBYYYNRTRX-NXHRZFHOSA-N 2 1 287.451 2.333 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000252520236 371453144 /nfs/dbraw/zinc/45/31/44/371453144.db2.gz JTGIQBYYYNRTRX-NXHRZFHOSA-N 2 1 287.451 2.333 20 0 CEADMP Clc1ccccc1CNC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252667523 371464490 /nfs/dbraw/zinc/46/44/90/371464490.db2.gz KWMHHSGVGJMVSN-KBPBESRZSA-N 2 1 280.799 2.293 20 0 CEADMP c1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)OCCO2 ZINC000252673480 371466838 /nfs/dbraw/zinc/46/68/38/371466838.db2.gz JQWJACTXHFADFL-CABCVRRESA-N 2 1 288.391 2.174 20 0 CEADMP c1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)OCCO2 ZINC000252673480 371466842 /nfs/dbraw/zinc/46/68/42/371466842.db2.gz JQWJACTXHFADFL-CABCVRRESA-N 2 1 288.391 2.174 20 0 CEADMP CCOc1ccc(OCC[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000252699375 371469982 /nfs/dbraw/zinc/46/99/82/371469982.db2.gz SWTADNHBPVGLFY-ZIAGYGMSSA-N 2 1 278.396 2.133 20 0 CEADMP CC(=O)c1ccccc1OCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253194661 371501067 /nfs/dbraw/zinc/50/10/67/371501067.db2.gz QLNRCEOCSZZGNY-UKRRQHHQSA-N 2 1 290.407 2.185 20 0 CEADMP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253194661 371501069 /nfs/dbraw/zinc/50/10/69/371501069.db2.gz QLNRCEOCSZZGNY-UKRRQHHQSA-N 2 1 290.407 2.185 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000253284543 371505898 /nfs/dbraw/zinc/50/58/98/371505898.db2.gz MZARUTPMPNRUJY-IPYPFGDCSA-N 2 1 260.381 2.092 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000360723669 371532827 /nfs/dbraw/zinc/53/28/27/371532827.db2.gz VKIVDPBZBMPQPI-GJZGRUSLSA-N 2 1 265.401 2.375 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCc3ccncc3)C2)CC1 ZINC000639755108 371545391 /nfs/dbraw/zinc/54/53/91/371545391.db2.gz FUKUDJIQGXDILQ-UHFFFAOYSA-N 2 1 259.397 2.042 20 0 CEADMP CC(C)CC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756641 371546933 /nfs/dbraw/zinc/54/69/33/371546933.db2.gz ZZQIMCQRHKAQHY-OAHLLOKOSA-N 2 1 268.445 2.201 20 0 CEADMP C[NH+]1CCC2(CC[N@@H+](CCCOCC(F)(F)F)C2)CC1 ZINC000639756965 371547246 /nfs/dbraw/zinc/54/72/46/371547246.db2.gz AXVIEPKOCLWJBW-UHFFFAOYSA-N 2 1 294.361 2.373 20 0 CEADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762765 371550479 /nfs/dbraw/zinc/55/04/79/371550479.db2.gz NMFLCAWJFYCGEU-OCCSQVGLSA-N 2 1 278.387 2.056 20 0 CEADMP CC(C)Cc1noc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639762534 371551384 /nfs/dbraw/zinc/55/13/84/371551384.db2.gz MAXQVIWHDHSOOK-UHFFFAOYSA-N 2 1 292.427 2.186 20 0 CEADMP CC(C)Cc1noc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639762534 371551388 /nfs/dbraw/zinc/55/13/88/371551388.db2.gz MAXQVIWHDHSOOK-UHFFFAOYSA-N 2 1 292.427 2.186 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000639762154 371551582 /nfs/dbraw/zinc/55/15/82/371551582.db2.gz HBTSLVZWNOWTIT-SFHVURJKSA-N 2 1 288.435 2.064 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000639762154 371551588 /nfs/dbraw/zinc/55/15/88/371551588.db2.gz HBTSLVZWNOWTIT-SFHVURJKSA-N 2 1 288.435 2.064 20 0 CEADMP C[C@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000359940810 371494439 /nfs/dbraw/zinc/49/44/39/371494439.db2.gz IKLHWGJGNNVYNH-QKPAOTATSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+](C)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000359940810 371494442 /nfs/dbraw/zinc/49/44/42/371494442.db2.gz IKLHWGJGNNVYNH-QKPAOTATSA-N 2 1 267.461 2.037 20 0 CEADMP C[C@H](CN[C@@H]1CC[NH+](C)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000359940810 371494444 /nfs/dbraw/zinc/49/44/44/371494444.db2.gz IKLHWGJGNNVYNH-QKPAOTATSA-N 2 1 267.461 2.037 20 0 CEADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000359994240 371496964 /nfs/dbraw/zinc/49/69/64/371496964.db2.gz QBCVAMGYUYSRKD-CZUORRHYSA-N 2 1 262.397 2.168 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(C)C ZINC000360956409 371560619 /nfs/dbraw/zinc/56/06/19/371560619.db2.gz HIBJDQQNQXKGJY-CABCVRRESA-N 2 1 283.460 2.001 20 0 CEADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C(C)C)nc2C)C1 ZINC000360988261 371583841 /nfs/dbraw/zinc/58/38/41/371583841.db2.gz XWCIGZPVKZYNTH-CQSZACIVSA-N 2 1 264.417 2.204 20 0 CEADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C(C)C)nc2C)C1 ZINC000360988261 371583847 /nfs/dbraw/zinc/58/38/47/371583847.db2.gz XWCIGZPVKZYNTH-CQSZACIVSA-N 2 1 264.417 2.204 20 0 CEADMP CC[C@@](C)([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(F)cc1 ZINC000639927685 371676961 /nfs/dbraw/zinc/67/69/61/371676961.db2.gz GXENBJVALJIXEK-IAGOWNOFSA-N 2 1 294.414 2.496 20 0 CEADMP CC[C@@](C)([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000639927685 371676970 /nfs/dbraw/zinc/67/69/70/371676970.db2.gz GXENBJVALJIXEK-IAGOWNOFSA-N 2 1 294.414 2.496 20 0 CEADMP C[C@H](NC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261554807 371645135 /nfs/dbraw/zinc/64/51/35/371645135.db2.gz UQIQINJEWGSLJK-CGTJXYLNSA-N 2 1 287.451 2.239 20 0 CEADMP CSc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261560724 371647338 /nfs/dbraw/zinc/64/73/38/371647338.db2.gz FMDKLJMEVBEGTR-KGLIPLIRSA-N 2 1 262.422 2.450 20 0 CEADMP CSc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261560724 371647345 /nfs/dbraw/zinc/64/73/45/371647345.db2.gz FMDKLJMEVBEGTR-KGLIPLIRSA-N 2 1 262.422 2.450 20 0 CEADMP c1ccc(SCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261566979 371652209 /nfs/dbraw/zinc/65/22/09/371652209.db2.gz ILMMDRHTHCPLQB-DZGCQCFKSA-N 2 1 262.422 2.463 20 0 CEADMP c1ccc(SCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261566979 371652212 /nfs/dbraw/zinc/65/22/12/371652212.db2.gz ILMMDRHTHCPLQB-DZGCQCFKSA-N 2 1 262.422 2.463 20 0 CEADMP Cc1n[nH]cc1C[N@H+](C)CCCCn1cc[nH+]c1C ZINC000639971771 371705694 /nfs/dbraw/zinc/70/56/94/371705694.db2.gz WRTYNOPCFVZWSK-UHFFFAOYSA-N 2 1 261.373 2.135 20 0 CEADMP Cc1n[nH]cc1C[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000639971771 371705700 /nfs/dbraw/zinc/70/57/00/371705700.db2.gz WRTYNOPCFVZWSK-UHFFFAOYSA-N 2 1 261.373 2.135 20 0 CEADMP CCC1([NH+](C)C)CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000640017569 371738771 /nfs/dbraw/zinc/73/87/71/371738771.db2.gz OEPMAHCJOVIJTP-OAHLLOKOSA-N 2 1 267.461 2.277 20 0 CEADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261712968 371708589 /nfs/dbraw/zinc/70/85/89/371708589.db2.gz PGQMTLBSTXNQNV-CABCVRRESA-N 2 1 290.407 2.005 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261712968 371708592 /nfs/dbraw/zinc/70/85/92/371708592.db2.gz PGQMTLBSTXNQNV-CABCVRRESA-N 2 1 290.407 2.005 20 0 CEADMP FC(F)Oc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261734532 371714150 /nfs/dbraw/zinc/71/41/50/371714150.db2.gz LLKRRUVZAJDTKN-QWHCGFSZSA-N 2 1 282.334 2.329 20 0 CEADMP FC(F)Oc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261734532 371714153 /nfs/dbraw/zinc/71/41/53/371714153.db2.gz LLKRRUVZAJDTKN-QWHCGFSZSA-N 2 1 282.334 2.329 20 0 CEADMP COCC[N@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261754494 371722012 /nfs/dbraw/zinc/72/20/12/371722012.db2.gz KOYKUWBUVQBQSS-MRXNPFEDSA-N 2 1 262.397 2.135 20 0 CEADMP COCC[N@@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261754494 371722017 /nfs/dbraw/zinc/72/20/17/371722017.db2.gz KOYKUWBUVQBQSS-MRXNPFEDSA-N 2 1 262.397 2.135 20 0 CEADMP CCC[N@@H+](C[C@@H]1CCCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000261776789 371727600 /nfs/dbraw/zinc/72/76/00/371727600.db2.gz NMTXXDUJWJUFJI-LSDHHAIUSA-N 2 1 254.418 2.267 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000261634773 371685830 /nfs/dbraw/zinc/68/58/30/371685830.db2.gz FSPHFJMFXPYXNJ-OAHLLOKOSA-N 2 1 288.420 2.376 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000261634773 371685839 /nfs/dbraw/zinc/68/58/39/371685839.db2.gz FSPHFJMFXPYXNJ-OAHLLOKOSA-N 2 1 288.420 2.376 20 0 CEADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cn(C)nc2C(F)F)C1 ZINC000361185314 371702405 /nfs/dbraw/zinc/70/24/05/371702405.db2.gz BAKDCJXNQWVITI-LLVKDONJSA-N 2 1 286.370 2.131 20 0 CEADMP c1cnc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2c1 ZINC000261832362 371745232 /nfs/dbraw/zinc/74/52/32/371745232.db2.gz UXDGLJUKPZSKSH-WBVHZDCISA-N 2 1 267.376 2.419 20 0 CEADMP c1cnc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2c1 ZINC000261832362 371745239 /nfs/dbraw/zinc/74/52/39/371745239.db2.gz UXDGLJUKPZSKSH-WBVHZDCISA-N 2 1 267.376 2.419 20 0 CEADMP C[C@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000361264540 371748637 /nfs/dbraw/zinc/74/86/37/371748637.db2.gz ZQNHJNBQSDNTGG-GXFFZTMASA-N 2 1 283.335 2.049 20 0 CEADMP CC[NH+](CC)CCN(CC[N@H+]1CCCOCC1)CC(C)C ZINC000361313891 371776972 /nfs/dbraw/zinc/77/69/72/371776972.db2.gz PTFXNKLEFHLZMK-UHFFFAOYSA-N 2 1 299.503 2.009 20 0 CEADMP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cn1 ZINC000261954994 371783470 /nfs/dbraw/zinc/78/34/70/371783470.db2.gz OMYYCMRVRNMPHK-UKRRQHHQSA-N 2 1 276.428 2.095 20 0 CEADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cn1 ZINC000261954994 371783475 /nfs/dbraw/zinc/78/34/75/371783475.db2.gz OMYYCMRVRNMPHK-UKRRQHHQSA-N 2 1 276.428 2.095 20 0 CEADMP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261982270 371790606 /nfs/dbraw/zinc/79/06/06/371790606.db2.gz RLBMBPZMIJYITI-IMJJTQAJSA-N 2 1 276.428 2.332 20 0 CEADMP COc1cc(C)[nH+]c(CN(CC[NH3+])CCc2ccccc2)c1 ZINC000262014903 371798958 /nfs/dbraw/zinc/79/89/58/371798958.db2.gz MPDMWNJKRDJHGS-UHFFFAOYSA-N 2 1 299.418 2.402 20 0 CEADMP C(=C\c1ccncc1)\C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000344065345 217034273 /nfs/dbraw/zinc/03/42/73/217034273.db2.gz PAIAKVZSFOMOJM-OYADATRGSA-N 2 1 268.364 2.144 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000361585545 371950969 /nfs/dbraw/zinc/95/09/69/371950969.db2.gz PWFLSAVENGXKPA-YOEHRIQHSA-N 2 1 274.408 2.012 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000361585545 371950974 /nfs/dbraw/zinc/95/09/74/371950974.db2.gz PWFLSAVENGXKPA-YOEHRIQHSA-N 2 1 274.408 2.012 20 0 CEADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@](C)(O)C(F)(F)F ZINC000640533049 372022279 /nfs/dbraw/zinc/02/22/79/372022279.db2.gz AQVRIHFJDLPEMX-ZDUSSCGKSA-N 2 1 296.377 2.498 20 0 CEADMP CC(C)[C@@H](O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534619 372024573 /nfs/dbraw/zinc/02/45/73/372024573.db2.gz QQWFGJMPMAEKAR-HNNXBMFYSA-N 2 1 256.434 2.201 20 0 CEADMP CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361717248 372036963 /nfs/dbraw/zinc/03/69/63/372036963.db2.gz BZYGWUYHNRCJBV-ZIAGYGMSSA-N 2 1 292.427 2.125 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361771474 372064722 /nfs/dbraw/zinc/06/47/22/372064722.db2.gz KVPWLXBKCLEHCO-PVAVHDDUSA-N 2 1 276.424 2.316 20 0 CEADMP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361771474 372064728 /nfs/dbraw/zinc/06/47/28/372064728.db2.gz KVPWLXBKCLEHCO-PVAVHDDUSA-N 2 1 276.424 2.316 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000362016609 372173287 /nfs/dbraw/zinc/17/32/87/372173287.db2.gz ASYYMOMTGLBXSB-CABCVRRESA-N 2 1 273.384 2.162 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)[C@@H](C)C1 ZINC000268808265 372232592 /nfs/dbraw/zinc/23/25/92/372232592.db2.gz MZBJHTFYNUSUCD-XJKSGUPXSA-N 2 1 262.397 2.255 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000362179865 372258605 /nfs/dbraw/zinc/25/86/05/372258605.db2.gz OPTPIKCGQHTPAP-CABCVRRESA-N 2 1 263.385 2.225 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000362179865 372258609 /nfs/dbraw/zinc/25/86/09/372258609.db2.gz OPTPIKCGQHTPAP-CABCVRRESA-N 2 1 263.385 2.225 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000344285628 217134559 /nfs/dbraw/zinc/13/45/59/217134559.db2.gz HJUPAVUHRIABBT-UHFFFAOYSA-N 3 1 265.445 2.101 20 0 CEADMP C[N@H+]1CC=C(CNC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000344285628 217134562 /nfs/dbraw/zinc/13/45/62/217134562.db2.gz HJUPAVUHRIABBT-UHFFFAOYSA-N 2 1 265.445 2.101 20 0 CEADMP C[N@@H+]1CC=C(CNC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000344285628 217134563 /nfs/dbraw/zinc/13/45/63/217134563.db2.gz HJUPAVUHRIABBT-UHFFFAOYSA-N 2 1 265.445 2.101 20 0 CEADMP CCC(CC)(C[NH3+])NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000269153232 372359839 /nfs/dbraw/zinc/35/98/39/372359839.db2.gz WQJIAPANCYMHMA-CQSZACIVSA-N 2 1 291.439 2.141 20 0 CEADMP CC[C@H]([NH3+])c1cn(Cc2c(C)cc(C)[nH+]c2C)nn1 ZINC000641187920 372380164 /nfs/dbraw/zinc/38/01/64/372380164.db2.gz YUFDVCILPKLKBK-ZDUSSCGKSA-N 2 1 259.357 2.056 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641716433 372652400 /nfs/dbraw/zinc/65/24/00/372652400.db2.gz JNOCIHUTSOGSNH-LLVKDONJSA-N 2 1 299.378 2.199 20 0 CEADMP C[C@@H]1CCC[C@H]([NH2+]C2(CCO)CC[NH+](C)CC2)CC1 ZINC000641765385 372703067 /nfs/dbraw/zinc/70/30/67/372703067.db2.gz ZWUFNHXSYMHOIB-CABCVRRESA-N 2 1 268.445 2.392 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000573315665 299433816 /nfs/dbraw/zinc/43/38/16/299433816.db2.gz OQPCQHJGFHQAPV-RYUDHWBXSA-N 2 1 290.333 2.195 20 0 CEADMP CCc1noc(C2CCC([NH2+][C@@H]3CCC[NH2+][C@@H]3C)CC2)n1 ZINC000333086029 205019538 /nfs/dbraw/zinc/01/95/38/205019538.db2.gz BPQNQYAWYGIKBA-BLYZHGLHSA-N 2 1 292.427 2.388 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nsc2ccccc21 ZINC000641799621 372739541 /nfs/dbraw/zinc/73/95/41/372739541.db2.gz YLEJLSKZJJNXSM-QWRGUYRKSA-N 2 1 261.394 2.465 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nsc2ccccc21 ZINC000641799621 372739550 /nfs/dbraw/zinc/73/95/50/372739550.db2.gz YLEJLSKZJJNXSM-QWRGUYRKSA-N 2 1 261.394 2.465 20 0 CEADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)sn1 ZINC000641798536 372740349 /nfs/dbraw/zinc/74/03/49/372740349.db2.gz JNVJYOXJYNPYJY-CHWSQXEVSA-N 2 1 265.426 2.355 20 0 CEADMP CC(C)[C@H](C[NH2+][C@H](C)C(C)(C)n1cncn1)[NH+]1CCCC1 ZINC000353410341 220067043 /nfs/dbraw/zinc/06/70/43/220067043.db2.gz HKIXISAOEAIRMI-CABCVRRESA-N 2 1 293.459 2.112 20 0 CEADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1cccc2ccccc21 ZINC000641804029 372750279 /nfs/dbraw/zinc/75/02/79/372750279.db2.gz HHLRJXXLWDRQNX-CVEARBPZSA-N 2 1 297.402 2.494 20 0 CEADMP CC(C)c1ccccc1NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641804402 372750418 /nfs/dbraw/zinc/75/04/18/372750418.db2.gz IJISFZQHHNJEAN-GJZGRUSLSA-N 2 1 289.423 2.464 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)C[C@H]1C[NH3+] ZINC000641818045 372764071 /nfs/dbraw/zinc/76/40/71/372764071.db2.gz CEWVLRWYLLQUJM-MGPQQGTHSA-N 2 1 252.402 2.005 20 0 CEADMP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C1CC[NH2+]CC1 ZINC000641796627 372736582 /nfs/dbraw/zinc/73/65/82/372736582.db2.gz DXHZWPNJDWUGMF-UHFFFAOYSA-N 2 1 284.306 2.192 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C1CC[NH2+]CC1 ZINC000641796627 372736585 /nfs/dbraw/zinc/73/65/85/372736585.db2.gz DXHZWPNJDWUGMF-UHFFFAOYSA-N 2 1 284.306 2.192 20 0 CEADMP CCc1nc(C)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)o1 ZINC000641797683 372738214 /nfs/dbraw/zinc/73/82/14/372738214.db2.gz FSPSXOFTGHWIBS-LBPRGKRZSA-N 2 1 251.374 2.106 20 0 CEADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000641797352 372738499 /nfs/dbraw/zinc/73/84/99/372738499.db2.gz AWYOUANOIOKLNT-CYBMUJFWSA-N 2 1 284.306 2.179 20 0 CEADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000641797352 372738502 /nfs/dbraw/zinc/73/85/02/372738502.db2.gz AWYOUANOIOKLNT-CYBMUJFWSA-N 2 1 284.306 2.179 20 0 CEADMP CN(Cc1ccno1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364699523 372792285 /nfs/dbraw/zinc/79/22/85/372792285.db2.gz SZBXTDQGFCBBAU-HOCLYGCPSA-N 2 1 286.379 2.194 20 0 CEADMP CN1CC[C@@H](C[N@H+](C)Cc2ccno2)[C@@H]1c1cccnc1 ZINC000364699523 372792293 /nfs/dbraw/zinc/79/22/93/372792293.db2.gz SZBXTDQGFCBBAU-HOCLYGCPSA-N 2 1 286.379 2.194 20 0 CEADMP CN1CC[C@@H](C[N@@H+](C)Cc2ccno2)[C@@H]1c1cccnc1 ZINC000364699523 372792294 /nfs/dbraw/zinc/79/22/94/372792294.db2.gz SZBXTDQGFCBBAU-HOCLYGCPSA-N 2 1 286.379 2.194 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000270588270 372856207 /nfs/dbraw/zinc/85/62/07/372856207.db2.gz DSSJYOBGUFWICE-OAHLLOKOSA-N 2 1 286.379 2.130 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000270588270 372856211 /nfs/dbraw/zinc/85/62/11/372856211.db2.gz DSSJYOBGUFWICE-OAHLLOKOSA-N 2 1 286.379 2.130 20 0 CEADMP c1cc2c(nc[nH+]c2N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000643044192 372933691 /nfs/dbraw/zinc/93/36/91/372933691.db2.gz OTYNUDOEHQQERT-QWHCGFSZSA-N 2 1 285.395 2.174 20 0 CEADMP CCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000366619974 373093591 /nfs/dbraw/zinc/09/35/91/373093591.db2.gz JPZXSPKZTPGHFE-CQSZACIVSA-N 2 1 266.433 2.307 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCCc2cccnc21)[C@@H]1CCC[NH2+]C1 ZINC000643503458 373162166 /nfs/dbraw/zinc/16/21/66/373162166.db2.gz BFRDNBGWAQNKMK-NWANDNLSSA-N 2 1 259.397 2.437 20 0 CEADMP COc1nc(C)cc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000643472568 373142051 /nfs/dbraw/zinc/14/20/51/373142051.db2.gz SXVDIDMRTCDNHV-PBWFPOADSA-N 2 1 275.396 2.080 20 0 CEADMP Cc1ncc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000643518417 373176333 /nfs/dbraw/zinc/17/63/33/373176333.db2.gz DVPANJWNTHGWDZ-GWCFXTLKSA-N 2 1 253.415 2.492 20 0 CEADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000643523937 373180631 /nfs/dbraw/zinc/18/06/31/373180631.db2.gz OMROGDCNEJRABZ-JKSUJKDBSA-N 3 1 259.397 2.039 20 0 CEADMP C[C@@H]([NH3+])C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000643526785 373183273 /nfs/dbraw/zinc/18/32/73/373183273.db2.gz GKBWUYXVCYCZFA-ODIFPOPNSA-N 3 1 275.440 2.366 20 0 CEADMP C[C@@H](N)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000643526785 373183277 /nfs/dbraw/zinc/18/32/77/373183277.db2.gz GKBWUYXVCYCZFA-ODIFPOPNSA-N 2 1 275.440 2.366 20 0 CEADMP C[C@@H](N)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000643526785 373183282 /nfs/dbraw/zinc/18/32/82/373183282.db2.gz GKBWUYXVCYCZFA-ODIFPOPNSA-N 2 1 275.440 2.366 20 0 CEADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643527590 373184935 /nfs/dbraw/zinc/18/49/35/373184935.db2.gz OXGIDZPNMNXMJL-DYVFJYSZSA-N 2 1 285.391 2.311 20 0 CEADMP C[C@H]([NH3+])CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000643527757 373185729 /nfs/dbraw/zinc/18/57/29/373185729.db2.gz RYOPVLGVTRLHDM-XOYOTBSWSA-N 2 1 287.451 2.224 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000643529558 373186801 /nfs/dbraw/zinc/18/68/01/373186801.db2.gz BAQSTMSAVVUSQD-CQDKDKBSSA-N 2 1 282.815 2.367 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1Br ZINC000643529184 373187517 /nfs/dbraw/zinc/18/75/17/373187517.db2.gz WNVQSBQMEKTQFE-RKDXNWHRSA-N 2 1 287.201 2.456 20 0 CEADMP C[C@H]([NH3+])C[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000643529559 373187657 /nfs/dbraw/zinc/18/76/57/373187657.db2.gz BAQSTMSAVVUSQD-GLQYFDAESA-N 2 1 282.815 2.367 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1Br ZINC000643529182 373188310 /nfs/dbraw/zinc/18/83/10/373188310.db2.gz WNVQSBQMEKTQFE-DTWKUNHWSA-N 2 1 287.201 2.456 20 0 CEADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000643545200 373203077 /nfs/dbraw/zinc/20/30/77/373203077.db2.gz MGTLZRPIUOAWPV-HOCLYGCPSA-N 2 1 289.423 2.444 20 0 CEADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(CO)c1 ZINC000271997390 373254548 /nfs/dbraw/zinc/25/45/48/373254548.db2.gz RESRMEPHWKFNMZ-ZDUSSCGKSA-N 2 1 260.381 2.091 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000353595324 220181360 /nfs/dbraw/zinc/18/13/60/220181360.db2.gz JLJIZRARCCCXLD-CRAIPNDOSA-N 2 1 298.434 2.361 20 0 CEADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CC=CCC1 ZINC000644571187 373536831 /nfs/dbraw/zinc/53/68/31/373536831.db2.gz BMFUJULHPVWJNK-SJORKVTESA-N 2 1 274.408 2.178 20 0 CEADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CC=CCC1 ZINC000644571187 373536840 /nfs/dbraw/zinc/53/68/40/373536840.db2.gz BMFUJULHPVWJNK-SJORKVTESA-N 2 1 274.408 2.178 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CCCCC1CCCC1)C1CC1 ZINC000644579824 373541122 /nfs/dbraw/zinc/54/11/22/373541122.db2.gz MPKFHSNROBLTSB-INIZCTEOSA-N 2 1 268.445 2.392 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCCC1CCCC1)C1CC1 ZINC000644579824 373541124 /nfs/dbraw/zinc/54/11/24/373541124.db2.gz MPKFHSNROBLTSB-INIZCTEOSA-N 2 1 268.445 2.392 20 0 CEADMP COc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000257682667 220221032 /nfs/dbraw/zinc/22/10/32/220221032.db2.gz LKQUTGIGYIJNNO-MRXNPFEDSA-N 2 1 260.381 2.271 20 0 CEADMP COc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000257682667 220221036 /nfs/dbraw/zinc/22/10/36/220221036.db2.gz LKQUTGIGYIJNNO-MRXNPFEDSA-N 2 1 260.381 2.271 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(n2cccn2)CC1 ZINC000371203608 373811828 /nfs/dbraw/zinc/81/18/28/373811828.db2.gz CAGKXYHERUFOTO-AWEZNQCLSA-N 2 1 262.401 2.004 20 0 CEADMP CCCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371295974 373834614 /nfs/dbraw/zinc/83/46/14/373834614.db2.gz WBEDCUUSKAOUAP-RRFJBIMHSA-N 2 1 254.418 2.360 20 0 CEADMP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)o1 ZINC000371332838 373846633 /nfs/dbraw/zinc/84/66/33/373846633.db2.gz BFAGBFSFRCMZAH-MRXNPFEDSA-N 2 1 291.439 2.188 20 0 CEADMP COC1(CC[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000645131675 373868471 /nfs/dbraw/zinc/86/84/71/373868471.db2.gz OMKVJUULDSUQJG-AWEZNQCLSA-N 2 1 277.412 2.337 20 0 CEADMP COC1(CC[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000645131675 373868475 /nfs/dbraw/zinc/86/84/75/373868475.db2.gz OMKVJUULDSUQJG-AWEZNQCLSA-N 2 1 277.412 2.337 20 0 CEADMP CC[NH+]1CCC([NH2+]C2CCC(c3nc(C)no3)CC2)CC1 ZINC000371542045 373914294 /nfs/dbraw/zinc/91/42/94/373914294.db2.gz HIOXEIHZFGNZMW-UHFFFAOYSA-N 2 1 292.427 2.478 20 0 CEADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000372030008 374026597 /nfs/dbraw/zinc/02/65/97/374026597.db2.gz HAAJQMMGDAPTNE-KRWDZBQOSA-N 2 1 295.386 2.062 20 0 CEADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000372030008 374026603 /nfs/dbraw/zinc/02/66/03/374026603.db2.gz HAAJQMMGDAPTNE-KRWDZBQOSA-N 2 1 295.386 2.062 20 0 CEADMP C[N@@H+]1CC[C@H]2CC[NH+](CCCC3CCOCC3)[C@@H]2C1 ZINC000372129582 374051245 /nfs/dbraw/zinc/05/12/45/374051245.db2.gz YDIMMGVGHRCSTG-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@H+]1CC[C@H]2CC[NH+](CCCC3CCOCC3)[C@@H]2C1 ZINC000372129582 374051251 /nfs/dbraw/zinc/05/12/51/374051251.db2.gz YDIMMGVGHRCSTG-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@H]2CC[N@H+](CCCC3CCOCC3)[C@@H]2C1 ZINC000372129582 374051261 /nfs/dbraw/zinc/05/12/61/374051261.db2.gz YDIMMGVGHRCSTG-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[NH+]1CC[C@H]2CC[N@@H+](CCCC3CCOCC3)[C@@H]2C1 ZINC000372129582 374051268 /nfs/dbraw/zinc/05/12/68/374051268.db2.gz YDIMMGVGHRCSTG-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP C[N@@H+](CCC[C@@H]1CCOC1)C[C@@H]1CCC[NH+](C)C1 ZINC000645807791 374197299 /nfs/dbraw/zinc/19/72/99/374197299.db2.gz HPUVZODYUHKXPA-CABCVRRESA-N 2 1 254.418 2.077 20 0 CEADMP C[NH+](CCC[C@@H]1CCOC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000645807791 374197306 /nfs/dbraw/zinc/19/73/06/374197306.db2.gz HPUVZODYUHKXPA-CABCVRRESA-N 2 1 254.418 2.077 20 0 CEADMP C[NH+](CCC[C@@H]1CCOC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000645807791 374197315 /nfs/dbraw/zinc/19/73/15/374197315.db2.gz HPUVZODYUHKXPA-CABCVRRESA-N 2 1 254.418 2.077 20 0 CEADMP COC(=O)c1coc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000373028286 374247786 /nfs/dbraw/zinc/24/77/86/374247786.db2.gz XZHKNALSZQYNPJ-UBHSHLNASA-N 2 1 292.379 2.344 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(CO)c1 ZINC000373189953 374288095 /nfs/dbraw/zinc/28/80/95/374288095.db2.gz HAZCVQGYGMUBMS-IAOVAPTHSA-N 2 1 274.408 2.456 20 0 CEADMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cccc3nccn32)C1 ZINC000373234107 374301422 /nfs/dbraw/zinc/30/14/22/374301422.db2.gz UYGXLTFPNPKWNU-CQSZACIVSA-N 2 1 295.390 2.447 20 0 CEADMP C[C@@H]1CCC[N@H+]1C1CCN(C[C@](C)(O)C(F)(F)F)CC1 ZINC000373950974 374456117 /nfs/dbraw/zinc/45/61/17/374456117.db2.gz PEGQJPBYVWPSLR-YPMHNXCESA-N 2 1 294.361 2.248 20 0 CEADMP COc1ccsc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277616658 374580268 /nfs/dbraw/zinc/58/02/68/374580268.db2.gz BCRLOHVOTVRXSI-CYBMUJFWSA-N 2 1 298.452 2.347 20 0 CEADMP COc1ccsc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000277616658 374580272 /nfs/dbraw/zinc/58/02/72/374580272.db2.gz BCRLOHVOTVRXSI-CYBMUJFWSA-N 2 1 298.452 2.347 20 0 CEADMP CC(C)CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374419365 374569157 /nfs/dbraw/zinc/56/91/57/374569157.db2.gz HBKGWGPFAXBZRR-RBSFLKMASA-N 2 1 254.418 2.216 20 0 CEADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(F)c2)CCCO1 ZINC000277973875 374697457 /nfs/dbraw/zinc/69/74/57/374697457.db2.gz STIBKGMDZVCCPI-AWEZNQCLSA-N 2 1 280.387 2.416 20 0 CEADMP Cc1ccc([C@@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000278165391 374737790 /nfs/dbraw/zinc/73/77/90/374737790.db2.gz ATGWBOKVZGWSNQ-ULQDDVLXSA-N 2 1 274.408 2.245 20 0 CEADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccncc1 ZINC000278401954 374805737 /nfs/dbraw/zinc/80/57/37/374805737.db2.gz DQXDNAKXWLLOSJ-CABCVRRESA-N 2 1 277.412 2.233 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccncc1 ZINC000278401954 374805740 /nfs/dbraw/zinc/80/57/40/374805740.db2.gz DQXDNAKXWLLOSJ-CABCVRRESA-N 2 1 277.412 2.233 20 0 CEADMP CC(C)[C@](C)(O)C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000377262865 374826049 /nfs/dbraw/zinc/82/60/49/374826049.db2.gz SJHBYSJIXOMPKF-UKRRQHHQSA-N 2 1 265.401 2.007 20 0 CEADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](OC)C2)C1 ZINC000684374240 541987341 /nfs/dbraw/zinc/98/73/41/541987341.db2.gz LQNUYMBWTDPHBO-ILXRZTDVSA-N 2 1 254.418 2.266 20 0 CEADMP CCSCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000377386850 374845486 /nfs/dbraw/zinc/84/54/86/374845486.db2.gz RKGNIRLSUFXOEW-QLFBSQMISA-N 2 1 286.485 2.219 20 0 CEADMP C[C@@H]1C[N@@H+](CCCCCF)CC[C@H]1N1CC[NH+](C)CC1 ZINC000377401653 374849882 /nfs/dbraw/zinc/84/98/82/374849882.db2.gz SQLCIJUWXRFYLL-HZPDHXFCSA-N 2 1 285.451 2.084 20 0 CEADMP C[N@@H+](Cc1cnoc1C1CC1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377684900 374921907 /nfs/dbraw/zinc/92/19/07/374921907.db2.gz XOKBBBXFFGKJTD-LBPRGKRZSA-N 2 1 286.379 2.443 20 0 CEADMP C[N@H+](Cc1cnoc1C1CC1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377684900 374921915 /nfs/dbraw/zinc/92/19/15/374921915.db2.gz XOKBBBXFFGKJTD-LBPRGKRZSA-N 2 1 286.379 2.443 20 0 CEADMP Cc1cnn(C)c1C[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377696181 374927021 /nfs/dbraw/zinc/92/70/21/374927021.db2.gz JLBJCYSCFGJIBF-UHFFFAOYSA-N 2 1 299.422 2.224 20 0 CEADMP O=C(Nc1ccn2ccnc2c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377811964 374956882 /nfs/dbraw/zinc/95/68/82/374956882.db2.gz RBELJZWRNSVFQP-JSGCOSHPSA-N 2 1 299.378 2.083 20 0 CEADMP CSC1(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000377642831 374908246 /nfs/dbraw/zinc/90/82/46/374908246.db2.gz FYPBPVYJJQPSDK-UHFFFAOYSA-N 2 1 298.496 2.457 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)C(C)(C)C)C1CC1 ZINC000386581040 375262466 /nfs/dbraw/zinc/26/24/66/375262466.db2.gz ZUGLAISRMYSBQK-ZDUSSCGKSA-N 2 1 256.434 2.103 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)C(C)(C)C)C1CC1 ZINC000386581040 375262471 /nfs/dbraw/zinc/26/24/71/375262471.db2.gz ZUGLAISRMYSBQK-ZDUSSCGKSA-N 2 1 256.434 2.103 20 0 CEADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399067468 375356252 /nfs/dbraw/zinc/35/62/52/375356252.db2.gz KYIRUPTVZFSGKR-IPYPFGDCSA-N 2 1 262.397 2.356 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1ccnn1C ZINC000283092118 375653672 /nfs/dbraw/zinc/65/36/72/375653672.db2.gz LORIASMDJAZHGD-UHFFFAOYSA-N 2 1 289.427 2.134 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1ccnn1C ZINC000283092118 375653678 /nfs/dbraw/zinc/65/36/78/375653678.db2.gz LORIASMDJAZHGD-UHFFFAOYSA-N 2 1 289.427 2.134 20 0 CEADMP C[C@H]([NH2+]C1CC(N2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000684559995 542034008 /nfs/dbraw/zinc/03/40/08/542034008.db2.gz DKKDHLWMQPLKLZ-OOHWJJMZSA-N 2 1 279.472 2.323 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000283797133 375762908 /nfs/dbraw/zinc/76/29/08/375762908.db2.gz BARBKRMPGZNULG-UHFFFAOYSA-N 2 1 283.379 2.328 20 0 CEADMP Cn1ncc2c1CCC[C@H]2[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000414197368 375802242 /nfs/dbraw/zinc/80/22/42/375802242.db2.gz WHYQSOABGKAGFT-DZGCQCFKSA-N 2 1 276.428 2.119 20 0 CEADMP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@H](C)O1 ZINC000414257439 375807299 /nfs/dbraw/zinc/80/72/99/375807299.db2.gz LEAGLHCUPQMJCG-AGIUHOORSA-N 2 1 252.402 2.016 20 0 CEADMP CC(C)[N@H+]1CCc2nc(CNc3[nH+]ccn3C)sc2C1 ZINC000414304515 375829788 /nfs/dbraw/zinc/82/97/88/375829788.db2.gz OVDYEWJJIGVHQM-UHFFFAOYSA-N 2 1 291.424 2.255 20 0 CEADMP C[C@@H](c1ccccc1Cl)[NH+]1CCN(CCC[NH3+])CC1 ZINC000414669612 375910572 /nfs/dbraw/zinc/91/05/72/375910572.db2.gz BUJNQTIQYAWPTK-ZDUSSCGKSA-N 2 1 281.831 2.367 20 0 CEADMP [NH3+]Cc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CC3)n2)cc1 ZINC000414645561 375897761 /nfs/dbraw/zinc/89/77/61/375897761.db2.gz NZXACNRBKXFAEV-AWEZNQCLSA-N 2 1 284.363 2.495 20 0 CEADMP COCc1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414783158 375967468 /nfs/dbraw/zinc/96/74/68/375967468.db2.gz PLOMCRUFTZTCLX-OLZOCXBDSA-N 2 1 295.452 2.111 20 0 CEADMP C[N@H+](Cc1cccc(-n2cccn2)c1)C1(C[NH3+])CCC1 ZINC000414788046 375971532 /nfs/dbraw/zinc/97/15/32/375971532.db2.gz MUPXDXUDSAJZFE-UHFFFAOYSA-N 2 1 270.380 2.186 20 0 CEADMP C[N@@H+](Cc1cccc(-n2cccn2)c1)C1(C[NH3+])CCC1 ZINC000414788046 375971535 /nfs/dbraw/zinc/97/15/35/375971535.db2.gz MUPXDXUDSAJZFE-UHFFFAOYSA-N 2 1 270.380 2.186 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414677771 375913651 /nfs/dbraw/zinc/91/36/51/375913651.db2.gz JQQFLEHJMNYNQA-HLLBOEOZSA-N 2 1 274.408 2.448 20 0 CEADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)ccc1O ZINC000414680641 375914690 /nfs/dbraw/zinc/91/46/90/375914690.db2.gz NITDPRKEJPJZIC-JSGCOSHPSA-N 2 1 278.396 2.221 20 0 CEADMP COC(=O)c1cc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)oc1C ZINC000414682165 375915324 /nfs/dbraw/zinc/91/53/24/375915324.db2.gz QVTIBRVAXASOBI-WCQYABFASA-N 2 1 294.395 2.195 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2CN2CCCCC2)CC[NH2+]1 ZINC000414685907 375917146 /nfs/dbraw/zinc/91/71/46/375917146.db2.gz DZNNVFCYVJSPCM-IKGGRYGDSA-N 2 1 279.472 2.325 20 0 CEADMP CC(C)C[C@@H]([NH3+])CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000414691876 375920667 /nfs/dbraw/zinc/92/06/67/375920667.db2.gz BWDQGGKCOYPLHM-HUUCEWRRSA-N 2 1 255.450 2.166 20 0 CEADMP CC(C)(C)C[C@@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695406 375924892 /nfs/dbraw/zinc/92/48/92/375924892.db2.gz UPZAUYYJYKXQDL-CABCVRRESA-N 2 1 295.471 2.084 20 0 CEADMP Cc1ccc(C[N@H+](CCO)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414705583 375932730 /nfs/dbraw/zinc/93/27/30/375932730.db2.gz FNABECRMQKTTLB-RDJZCZTQSA-N 2 1 276.424 2.177 20 0 CEADMP CC(C)c1ncc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000414737486 375945482 /nfs/dbraw/zinc/94/54/82/375945482.db2.gz HGBQIJYMTLOJAY-KGLIPLIRSA-N 2 1 276.428 2.420 20 0 CEADMP [NH3+]C[C@H]([NH2+]Cc1ccc(Br)cc1)C1CC1 ZINC000414809844 375994959 /nfs/dbraw/zinc/99/49/59/375994959.db2.gz UQVYMXXRDOGLDM-LBPRGKRZSA-N 2 1 269.186 2.276 20 0 CEADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OCC2CC2)cc1)C1CC1 ZINC000414812519 376000223 /nfs/dbraw/zinc/00/02/23/376000223.db2.gz PLJLIJJBSLHIMR-MRXNPFEDSA-N 2 1 260.381 2.302 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCN[C@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000414819476 376005694 /nfs/dbraw/zinc/00/56/94/376005694.db2.gz HQCYEXJTMIFJAL-HPBDAGMYSA-N 2 1 287.451 2.457 20 0 CEADMP CC(C)([NH3+])C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000414800746 375984936 /nfs/dbraw/zinc/98/49/36/375984936.db2.gz INXSXNPXNZYJIE-UHFFFAOYSA-N 2 1 262.275 2.254 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CC(C)C)OC)[C@@H](C)C1 ZINC000417360812 376186127 /nfs/dbraw/zinc/18/61/27/376186127.db2.gz KGDGIARJPUDDTO-ZNMIVQPWSA-N 2 1 256.434 2.367 20 0 CEADMP COc1cc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c(F)cn1 ZINC000287857688 376329235 /nfs/dbraw/zinc/32/92/35/376329235.db2.gz XDUNVCQQCLDILK-NWDGAFQWSA-N 2 1 293.386 2.364 20 0 CEADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOCC2CCC2)C1 ZINC000419220271 376399523 /nfs/dbraw/zinc/39/95/23/376399523.db2.gz UKXQLADSVOVIAU-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOCC2CCC2)C1 ZINC000419220271 376399527 /nfs/dbraw/zinc/39/95/27/376399527.db2.gz UKXQLADSVOVIAU-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC000419220271 376399533 /nfs/dbraw/zinc/39/95/33/376399533.db2.gz UKXQLADSVOVIAU-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOCC2CCC2)C1 ZINC000419220271 376399537 /nfs/dbraw/zinc/39/95/37/376399537.db2.gz UKXQLADSVOVIAU-HNNXBMFYSA-N 2 1 254.418 2.077 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)[C@H](C)C1 ZINC000305764328 376478635 /nfs/dbraw/zinc/47/86/35/376478635.db2.gz BPUXHZNEDDBRNY-ILXRZTDVSA-N 2 1 270.461 2.349 20 0 CEADMP C[C@@H]([NH2+]Cc1cnc(C2CC2)s1)[C@H]1CCC[NH2+]C1 ZINC000556934224 376519748 /nfs/dbraw/zinc/51/97/48/376519748.db2.gz RAGSYDBTEUYNLK-PWSUYJOCSA-N 2 1 265.426 2.498 20 0 CEADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000289978126 376586004 /nfs/dbraw/zinc/58/60/04/376586004.db2.gz XSOQMYXMKKEKEH-MAUKXSAKSA-N 2 1 298.434 2.452 20 0 CEADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000289978126 376586013 /nfs/dbraw/zinc/58/60/13/376586013.db2.gz XSOQMYXMKKEKEH-MAUKXSAKSA-N 2 1 298.434 2.452 20 0 CEADMP C[NH+](C[C@H](O)C[N@H+](C)CCCc1ccccc1)C1CC1 ZINC000290077583 376632425 /nfs/dbraw/zinc/63/24/25/376632425.db2.gz USUKMNVPMRKUQG-QGZVFWFLSA-N 2 1 276.424 2.006 20 0 CEADMP C[NH+](C[C@H](O)C[N@@H+](C)CCCc1ccccc1)C1CC1 ZINC000290077583 376632429 /nfs/dbraw/zinc/63/24/29/376632429.db2.gz USUKMNVPMRKUQG-QGZVFWFLSA-N 2 1 276.424 2.006 20 0 CEADMP C[NH+](CCCc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290077583 376632433 /nfs/dbraw/zinc/63/24/33/376632433.db2.gz USUKMNVPMRKUQG-QGZVFWFLSA-N 2 1 276.424 2.006 20 0 CEADMP C[NH+](CCCc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290077583 376632438 /nfs/dbraw/zinc/63/24/38/376632438.db2.gz USUKMNVPMRKUQG-QGZVFWFLSA-N 2 1 276.424 2.006 20 0 CEADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000558696921 376635139 /nfs/dbraw/zinc/63/51/39/376635139.db2.gz RWDUOOZNIAVEMJ-GVDBMIGSSA-N 2 1 279.472 2.038 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCOC1 ZINC000310793032 376637746 /nfs/dbraw/zinc/63/77/46/376637746.db2.gz VPKPFKIXJZABOG-XQLPTFJDSA-N 2 1 252.402 2.018 20 0 CEADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCOC1 ZINC000310793032 376637758 /nfs/dbraw/zinc/63/77/58/376637758.db2.gz VPKPFKIXJZABOG-XQLPTFJDSA-N 2 1 252.402 2.018 20 0 CEADMP CCc1nc(NCC[N@@H+](C)[C@H](C)CC)cc(C)[nH+]1 ZINC000310898160 376642335 /nfs/dbraw/zinc/64/23/35/376642335.db2.gz BCWGETFGHROLJF-GFCCVEGCSA-N 2 1 250.390 2.490 20 0 CEADMP CCc1nc(NCC[N@H+](C)[C@H](C)CC)cc(C)[nH+]1 ZINC000310898160 376642343 /nfs/dbraw/zinc/64/23/43/376642343.db2.gz BCWGETFGHROLJF-GFCCVEGCSA-N 2 1 250.390 2.490 20 0 CEADMP Cc1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000310963172 376646484 /nfs/dbraw/zinc/64/64/84/376646484.db2.gz ODXGRHWGIHWEGQ-YHWZYXNKSA-N 2 1 265.426 2.475 20 0 CEADMP Cc1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000310963172 376646489 /nfs/dbraw/zinc/64/64/89/376646489.db2.gz ODXGRHWGIHWEGQ-YHWZYXNKSA-N 2 1 265.426 2.475 20 0 CEADMP C[C@H](C[NH2+]Cc1cnn(-c2ccccc2)c1)C[NH+](C)C ZINC000312557164 376720809 /nfs/dbraw/zinc/72/08/09/376720809.db2.gz SHSPZLBZQNSXLA-CQSZACIVSA-N 2 1 272.396 2.160 20 0 CEADMP CN(C[C@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C)C1CC1 ZINC000312842585 376730927 /nfs/dbraw/zinc/73/09/27/376730927.db2.gz FJFIAJLHLOPDFL-NWDGAFQWSA-N 2 1 294.361 2.104 20 0 CEADMP C[NH2+]CCC[N@H+](C)CCOc1ccc(Cl)c(F)c1 ZINC000420387135 376687826 /nfs/dbraw/zinc/68/78/26/376687826.db2.gz JQGIREVMHARRPG-UHFFFAOYSA-N 2 1 274.767 2.399 20 0 CEADMP C[NH2+]CCC[N@@H+](C)CCOc1ccc(Cl)c(F)c1 ZINC000420387135 376687832 /nfs/dbraw/zinc/68/78/32/376687832.db2.gz JQGIREVMHARRPG-UHFFFAOYSA-N 2 1 274.767 2.399 20 0 CEADMP c1ccc(OCCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000311864957 376691086 /nfs/dbraw/zinc/69/10/86/376691086.db2.gz KVYQNWZHIMEOQJ-GOEBONIOSA-N 2 1 260.381 2.139 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C[C@H](C)O1 ZINC000560127383 376714343 /nfs/dbraw/zinc/71/43/43/376714343.db2.gz MMVUTYIXKPFTGJ-WDNDVIMCSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C[C@H](C)O1 ZINC000560127383 376714347 /nfs/dbraw/zinc/71/43/47/376714347.db2.gz MMVUTYIXKPFTGJ-WDNDVIMCSA-N 2 1 254.418 2.406 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000420991148 376762745 /nfs/dbraw/zinc/76/27/45/376762745.db2.gz HWAJNJNPDMYAEF-CQSZACIVSA-N 2 1 254.418 2.098 20 0 CEADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2C[C@@H](O)C2)C1 ZINC000420915927 376736134 /nfs/dbraw/zinc/73/61/34/376736134.db2.gz NEKYLJONKVEPPF-VQHPVUNQSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H](O)C2)C1 ZINC000420915927 376736138 /nfs/dbraw/zinc/73/61/38/376736138.db2.gz NEKYLJONKVEPPF-VQHPVUNQSA-N 2 1 280.456 2.344 20 0 CEADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H](O)C2)C1 ZINC000420915927 376736142 /nfs/dbraw/zinc/73/61/42/376736142.db2.gz NEKYLJONKVEPPF-VQHPVUNQSA-N 2 1 280.456 2.344 20 0 CEADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000313358118 376745362 /nfs/dbraw/zinc/74/53/62/376745362.db2.gz TURXZLQBLNYWAQ-CYBMUJFWSA-N 2 1 288.313 2.255 20 0 CEADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000313358118 376745372 /nfs/dbraw/zinc/74/53/72/376745372.db2.gz TURXZLQBLNYWAQ-CYBMUJFWSA-N 2 1 288.313 2.255 20 0 CEADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc3nccn32)C1 ZINC000290458063 376787773 /nfs/dbraw/zinc/78/77/73/376787773.db2.gz MVJVPNRUZOFXER-GDBMZVCRSA-N 2 1 284.407 2.250 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@@]1(C)C[NH3+] ZINC000314333161 376771596 /nfs/dbraw/zinc/77/15/96/376771596.db2.gz UFGYCYLCDUDKBZ-RHSMWYFYSA-N 2 1 284.407 2.289 20 0 CEADMP Fc1ccc(/C=C\C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000685420875 542134871 /nfs/dbraw/zinc/13/48/71/542134871.db2.gz YHRPGPVNOMSLDP-FIGAQHRESA-N 2 1 264.319 2.129 20 0 CEADMP c1[nH]c2nccnc2c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000290503624 376807917 /nfs/dbraw/zinc/80/79/17/376807917.db2.gz SRSFVYXRDQTGKR-HNNXBMFYSA-N 2 1 299.422 2.408 20 0 CEADMP c1[nH]c2nccnc2c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000290503624 376807922 /nfs/dbraw/zinc/80/79/22/376807922.db2.gz SRSFVYXRDQTGKR-HNNXBMFYSA-N 2 1 299.422 2.408 20 0 CEADMP Cc1ccncc1CCCN1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000290554366 376831158 /nfs/dbraw/zinc/83/11/58/376831158.db2.gz ZGEBTOYDADFAPW-NVXWUHKLSA-N 2 1 273.424 2.349 20 0 CEADMP Cc1ccncc1CCCN1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000290554366 376831161 /nfs/dbraw/zinc/83/11/61/376831161.db2.gz ZGEBTOYDADFAPW-NVXWUHKLSA-N 2 1 273.424 2.349 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422891284 376854880 /nfs/dbraw/zinc/85/48/80/376854880.db2.gz VBDIUERGQUIODL-QXSJWSMHSA-N 2 1 267.461 2.499 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3cnn(C)c3c2)[C@H](C)C1 ZINC000562280564 376856874 /nfs/dbraw/zinc/85/68/74/376856874.db2.gz AICUAOPKHUZBGA-CZUORRHYSA-N 2 1 286.423 2.393 20 0 CEADMP Cc1ccc(O)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000290643807 376862717 /nfs/dbraw/zinc/86/27/17/376862717.db2.gz YRLVCYDUEOFALA-HNNXBMFYSA-N 2 1 289.423 2.259 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)n1 ZINC000422942955 376871132 /nfs/dbraw/zinc/87/11/32/376871132.db2.gz XGGJGOFDGRYPNM-STQMWFEESA-N 2 1 280.416 2.246 20 0 CEADMP CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422949620 376874551 /nfs/dbraw/zinc/87/45/51/376874551.db2.gz UOZDRIMBTRNZTL-JKSUJKDBSA-N 2 1 289.423 2.186 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000422961149 376886121 /nfs/dbraw/zinc/88/61/21/376886121.db2.gz ATHCXFUYPXZHBU-OWCLPIDISA-N 2 1 291.439 2.394 20 0 CEADMP CCOc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422966169 376895277 /nfs/dbraw/zinc/89/52/77/376895277.db2.gz QVJFASXZOFNNBA-HRCADAONSA-N 2 1 289.423 2.491 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000423078813 376972552 /nfs/dbraw/zinc/97/25/52/376972552.db2.gz WUYSUCUPDOWTML-IMJJTQAJSA-N 2 1 265.445 2.110 20 0 CEADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000423078813 376972554 /nfs/dbraw/zinc/97/25/54/376972554.db2.gz WUYSUCUPDOWTML-IMJJTQAJSA-N 2 1 265.445 2.110 20 0 CEADMP C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422998761 376917458 /nfs/dbraw/zinc/91/74/58/376917458.db2.gz DFAQUAAHGPOKAP-NZBPQXDJSA-N 2 1 260.381 2.281 20 0 CEADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c2ccccc2n1 ZINC000423003824 376922159 /nfs/dbraw/zinc/92/21/59/376922159.db2.gz IVUAYDIAGOKVHY-UKRRQHHQSA-N 2 1 271.364 2.213 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000423022113 376938602 /nfs/dbraw/zinc/93/86/02/376938602.db2.gz HEDVJYZJOVJVBF-RFGFWPKPSA-N 2 1 254.418 2.168 20 0 CEADMP C1CC12CCC([NH2+][C@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CC2 ZINC000423070797 376961844 /nfs/dbraw/zinc/96/18/44/376961844.db2.gz DMKQPTKGFXOTAN-PMPSAXMXSA-N 2 1 278.440 2.456 20 0 CEADMP C[C@@H](O)[C@@](C)(C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423069696 376962028 /nfs/dbraw/zinc/96/20/28/376962028.db2.gz FCTXIBHKUUZABJ-CIRFHOKZSA-N 2 1 290.451 2.346 20 0 CEADMP COc1ccncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423121246 377018123 /nfs/dbraw/zinc/01/81/23/377018123.db2.gz AKJFGIPWAYEVIX-ARFHVFGLSA-N 2 1 289.423 2.491 20 0 CEADMP CC[C@H]([NH2+]C[C@@H]1COc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423126032 377024057 /nfs/dbraw/zinc/02/40/57/377024057.db2.gz RKUBPZCVJOLRQL-SNPRPXQTSA-N 2 1 260.381 2.283 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423130109 377029729 /nfs/dbraw/zinc/02/97/29/377029729.db2.gz YFUABPWEZAIDKM-DZOHQFGASA-N 2 1 288.435 2.273 20 0 CEADMP C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423130107 377030693 /nfs/dbraw/zinc/03/06/93/377030693.db2.gz YFUABPWEZAIDKM-DKIMLUQUSA-N 2 1 288.435 2.273 20 0 CEADMP CC[C@H]([NH2+][C@@H]1COc2c(C)cccc2C1)[C@@H]1CCC[NH2+]1 ZINC000423140005 377038524 /nfs/dbraw/zinc/03/85/24/377038524.db2.gz LXANSOHTOOSIAS-JYJNAYRXSA-N 2 1 274.408 2.419 20 0 CEADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)CCC[NH3+] ZINC000423147614 377046911 /nfs/dbraw/zinc/04/69/11/377046911.db2.gz SITVGOXEXOIGBS-GJZGRUSLSA-N 3 1 255.450 2.214 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000423100129 376994011 /nfs/dbraw/zinc/99/40/11/376994011.db2.gz GGUCJIDKJQTEHI-KBPBESRZSA-N 2 1 272.396 2.147 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000423113018 377007492 /nfs/dbraw/zinc/00/74/92/377007492.db2.gz YBPDOWXSXNXQDK-LRDDRELGSA-N 2 1 257.381 2.298 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000423197657 377113526 /nfs/dbraw/zinc/11/35/26/377113526.db2.gz AJCMRXPJVUJHQR-ZDUSSCGKSA-N 2 1 275.396 2.074 20 0 CEADMP C[NH2+]CCC[NH2+][C@@H]1CCCOc2ccc(OC)cc21 ZINC000423201893 377117647 /nfs/dbraw/zinc/11/76/47/377117647.db2.gz QFKNEQCXDBPSNC-CQSZACIVSA-N 2 1 264.369 2.108 20 0 CEADMP C[NH2+]CCCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423201422 377117862 /nfs/dbraw/zinc/11/78/62/377117862.db2.gz OPVHBIZIVVTGEM-WBVHZDCISA-N 2 1 275.440 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423201422 377117870 /nfs/dbraw/zinc/11/78/70/377117870.db2.gz OPVHBIZIVVTGEM-WBVHZDCISA-N 3 1 275.440 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423201422 377117875 /nfs/dbraw/zinc/11/78/75/377117875.db2.gz OPVHBIZIVVTGEM-WBVHZDCISA-N 3 1 275.440 2.096 20 0 CEADMP C[NH2+]CCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000423204582 377119995 /nfs/dbraw/zinc/11/99/95/377119995.db2.gz UWGMXIGACZBTFX-ZDUSSCGKSA-N 2 1 252.333 2.239 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423153388 377053935 /nfs/dbraw/zinc/05/39/35/377053935.db2.gz NHPBFEJBJCELSU-POGJWJPPSA-N 2 1 287.451 2.160 20 0 CEADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423153384 377054255 /nfs/dbraw/zinc/05/42/55/377054255.db2.gz NHPBFEJBJCELSU-AVAUJXNBSA-N 2 1 287.451 2.160 20 0 CEADMP CO[C@](C)(C[NH2+]Cc1c[nH+]ccc1N(C)C)C1CC1 ZINC000291071289 377057011 /nfs/dbraw/zinc/05/70/11/377057011.db2.gz RTVAZZJNQAVESK-OAHLLOKOSA-N 2 1 263.385 2.052 20 0 CEADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000423183019 377094668 /nfs/dbraw/zinc/09/46/68/377094668.db2.gz MIASIAXUVPNAGN-DUVNUKRYSA-N 2 1 277.387 2.135 20 0 CEADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000423183022 377094938 /nfs/dbraw/zinc/09/49/38/377094938.db2.gz MIASIAXUVPNAGN-IVMMDQJWSA-N 2 1 277.387 2.135 20 0 CEADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423182600 377095612 /nfs/dbraw/zinc/09/56/12/377095612.db2.gz QNDSNHSBKQTULR-LLVKDONJSA-N 2 1 250.390 2.041 20 0 CEADMP C[NH2+]CCC[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000423207666 377124964 /nfs/dbraw/zinc/12/49/64/377124964.db2.gz YBEBODAXRXZEIT-LLVKDONJSA-N 2 1 252.406 2.207 20 0 CEADMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cnn(C)c1 ZINC000423191523 377104735 /nfs/dbraw/zinc/10/47/35/377104735.db2.gz SSPQQCYNIZEZAT-MRXNPFEDSA-N 2 1 287.411 2.036 20 0 CEADMP [NH3+]CC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423190110 377105728 /nfs/dbraw/zinc/10/57/28/377105728.db2.gz RPYFGHYXNAOOTI-ZDUSSCGKSA-N 2 1 283.213 2.319 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2ccnc2)C[C@@H]1C ZINC000563243506 377140619 /nfs/dbraw/zinc/14/06/19/377140619.db2.gz QZAMYOGCIWAZGH-KKUMJFAQSA-N 2 1 292.427 2.165 20 0 CEADMP CC[NH2+]CC[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000423231158 377150222 /nfs/dbraw/zinc/15/02/22/377150222.db2.gz FVRGCMZNFBDNJN-CYBMUJFWSA-N 2 1 280.412 2.142 20 0 CEADMP N[C@@H]1C[N@H+](C[C@@H]2CCCC[C@H]2O)C[C@H]1c1ccccc1F ZINC000563271218 377151071 /nfs/dbraw/zinc/15/10/71/377151071.db2.gz NHPONQJBKFIDMT-GUDXXQAFSA-N 2 1 292.398 2.103 20 0 CEADMP N[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@H]2O)C[C@H]1c1ccccc1F ZINC000563271218 377151079 /nfs/dbraw/zinc/15/10/79/377151079.db2.gz NHPONQJBKFIDMT-GUDXXQAFSA-N 2 1 292.398 2.103 20 0 CEADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423274754 377196997 /nfs/dbraw/zinc/19/69/97/377196997.db2.gz MHWLHHMMGHHVMI-YOEHRIQHSA-N 3 1 293.455 2.261 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000423259728 377178761 /nfs/dbraw/zinc/17/87/61/377178761.db2.gz FRZDCSIREKEMPD-UKRRQHHQSA-N 2 1 287.411 2.291 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+][C@](C)(CO)C1CCCCC1 ZINC000563351338 377179499 /nfs/dbraw/zinc/17/94/99/377179499.db2.gz ZCQRHROYQYQZTQ-MRXNPFEDSA-N 2 1 279.428 2.274 20 0 CEADMP CC(C)[C@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000423263322 377182155 /nfs/dbraw/zinc/18/21/55/377182155.db2.gz AXAUJPVLNMXBPO-JQHSSLGASA-N 2 1 289.467 2.470 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)C1(CC)CC ZINC000423268443 377186841 /nfs/dbraw/zinc/18/68/41/377186841.db2.gz DTYLEJBOBMNPAO-BFHYXJOUSA-N 2 1 254.418 2.297 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cnc(OC)c(Cl)c1 ZINC000423283578 377213388 /nfs/dbraw/zinc/21/33/88/377213388.db2.gz XLSISSNJXYHJJK-VHSXEESVSA-N 2 1 271.792 2.250 20 0 CEADMP CCO[C@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000423301569 377229805 /nfs/dbraw/zinc/22/98/05/377229805.db2.gz HPEQIJKGSRUPDF-ZNMIVQPWSA-N 2 1 266.429 2.456 20 0 CEADMP c1cncc([C@H]2CCC[C@@H]([NH2+][C@H]3CCC[NH2+]C3)C2)c1 ZINC000423304150 377232409 /nfs/dbraw/zinc/23/24/09/377232409.db2.gz NGMHYARZAVARAN-IMJJTQAJSA-N 2 1 259.397 2.449 20 0 CEADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cncc(F)c1 ZINC000423336353 377268295 /nfs/dbraw/zinc/26/82/95/377268295.db2.gz SJZZTNJKQWXHQV-SMDDNHRTSA-N 2 1 251.349 2.261 20 0 CEADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1OC ZINC000423310358 377239359 /nfs/dbraw/zinc/23/93/59/377239359.db2.gz ADAWOHNHIKJGBU-ZWNOBZJWSA-N 2 1 264.369 2.092 20 0 CEADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)CCC2 ZINC000423311261 377240683 /nfs/dbraw/zinc/24/06/83/377240683.db2.gz BNSCEYKSCDDHSE-GHMZBOCLSA-N 2 1 251.399 2.156 20 0 CEADMP CCC[NH2+]CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423312391 377241338 /nfs/dbraw/zinc/24/13/38/377241338.db2.gz RSVWEMXHEMAXLG-FUHWJXTLSA-N 3 1 289.467 2.486 20 0 CEADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423321646 377252940 /nfs/dbraw/zinc/25/29/40/377252940.db2.gz NHWSZCMBFOAZRC-BONVTDFDSA-N 2 1 261.369 2.033 20 0 CEADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000563714264 377281502 /nfs/dbraw/zinc/28/15/02/377281502.db2.gz MTHCBEQSXSFEBA-HNNXBMFYSA-N 2 1 275.396 2.267 20 0 CEADMP COC[C@H](C)C[N@@H+](Cc1ccco1)C1CCN(C)CC1 ZINC000564317752 377373019 /nfs/dbraw/zinc/37/30/19/377373019.db2.gz OWMGXHSVOYVUNT-CQSZACIVSA-N 2 1 280.412 2.458 20 0 CEADMP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCO2)C[NH+](C)C ZINC000293249366 377490519 /nfs/dbraw/zinc/49/05/19/377490519.db2.gz BOJJWERHNBKGNW-NEPJUHHUSA-N 2 1 264.369 2.264 20 0 CEADMP C[C@@H]1CCC[N@H+](CCN(C)c2ccccc2)[C@@H]1C[NH3+] ZINC000430590939 377530607 /nfs/dbraw/zinc/53/06/07/377530607.db2.gz DSPPNQLBIOUHMK-GDBMZVCRSA-N 2 1 261.413 2.182 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCN(C)c2ccccc2)[C@@H]1C[NH3+] ZINC000430590939 377530608 /nfs/dbraw/zinc/53/06/08/377530608.db2.gz DSPPNQLBIOUHMK-GDBMZVCRSA-N 2 1 261.413 2.182 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000430763292 377549536 /nfs/dbraw/zinc/54/95/36/377549536.db2.gz NPOHXZKJMHORPO-BZUAXINKSA-N 2 1 295.471 2.132 20 0 CEADMP c1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)C[NH2+]CC2 ZINC000565093389 377555817 /nfs/dbraw/zinc/55/58/17/377555817.db2.gz LPZCQPYWIGPOGL-KRWDZBQOSA-N 3 1 299.462 2.250 20 0 CEADMP c1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)C[NH2+]CC2 ZINC000565093389 377555822 /nfs/dbraw/zinc/55/58/22/377555822.db2.gz LPZCQPYWIGPOGL-KRWDZBQOSA-N 3 1 299.462 2.250 20 0 CEADMP CN(CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000166080572 542185551 /nfs/dbraw/zinc/18/55/51/542185551.db2.gz WFGOIQNWABASEI-DOTOQJQBSA-N 2 1 273.424 2.339 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000430951812 377570002 /nfs/dbraw/zinc/57/00/02/377570002.db2.gz WJIBOXCWNFEXIP-QWRGUYRKSA-N 2 1 280.416 2.487 20 0 CEADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000685837108 542189035 /nfs/dbraw/zinc/18/90/35/542189035.db2.gz AVIUKBYBTQVCKN-CQSZACIVSA-N 2 1 258.409 2.285 20 0 CEADMP CC[C@]1(C)CCCN(Cc2nc(C(C)(C)N)no2)C1 ZINC000431073995 377593776 /nfs/dbraw/zinc/59/37/76/377593776.db2.gz OOCVDPKDGONXRT-CQSZACIVSA-N 2 1 266.389 2.276 20 0 CEADMP CN(CCc1ccc(F)cc1)Cc1nc(C(C)(C)N)no1 ZINC000431074351 377593806 /nfs/dbraw/zinc/59/38/06/377593806.db2.gz SSLFDXOWWJHXJW-UHFFFAOYSA-N 2 1 292.358 2.077 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CCOCC2CCCC2)CC[N@H+]1C ZINC000313252962 249388152 /nfs/dbraw/zinc/38/81/52/249388152.db2.gz MFYQVYZAHUBAPM-DZGCQCFKSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H](C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)C[NH+](C)C ZINC000293716407 377720634 /nfs/dbraw/zinc/72/06/34/377720634.db2.gz PFOSLHNJQINIBK-VPZZIHKRSA-N 2 1 282.453 2.272 20 0 CEADMP CCC1(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCOCC1 ZINC000432343882 377748437 /nfs/dbraw/zinc/74/84/37/377748437.db2.gz ALLDFHFKNVYUDP-MRXNPFEDSA-N 2 1 298.471 2.284 20 0 CEADMP C[N@@H+](CC[C@H]1CCOC1)CC[C@@H]1CCCC[NH+]1C ZINC000438123095 377889727 /nfs/dbraw/zinc/88/97/27/377889727.db2.gz CHCNFCBCVWGZHG-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@H]1CCOC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000438123095 377889733 /nfs/dbraw/zinc/88/97/33/377889733.db2.gz CHCNFCBCVWGZHG-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP C[NH+](CC[C@H]1CCOC1)CC[C@@H]1CCCC[N@H+]1C ZINC000438123095 377889738 /nfs/dbraw/zinc/88/97/38/377889738.db2.gz CHCNFCBCVWGZHG-GJZGRUSLSA-N 2 1 254.418 2.219 20 0 CEADMP CO[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441352697 377937713 /nfs/dbraw/zinc/93/77/13/377937713.db2.gz UQEHUJAJXSLLMF-WNKDZCFJSA-N 2 1 298.471 2.375 20 0 CEADMP CO[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441352697 377937723 /nfs/dbraw/zinc/93/77/23/377937723.db2.gz UQEHUJAJXSLLMF-WNKDZCFJSA-N 2 1 298.471 2.375 20 0 CEADMP CO[C@@H]1CC[N@H+](CCC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441352697 377937728 /nfs/dbraw/zinc/93/77/28/377937728.db2.gz UQEHUJAJXSLLMF-WNKDZCFJSA-N 2 1 298.471 2.375 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000442902762 378015904 /nfs/dbraw/zinc/01/59/04/378015904.db2.gz SYXNHWWMTSKACX-ZDUSSCGKSA-N 2 1 276.380 2.019 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000441996972 377960389 /nfs/dbraw/zinc/96/03/89/377960389.db2.gz GNCJJTPGJLGFNR-GPANFISMSA-N 2 1 295.471 2.097 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1C ZINC000442757600 377990600 /nfs/dbraw/zinc/99/06/00/377990600.db2.gz MOYSDDLLJPXDBV-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1C ZINC000442757600 377990606 /nfs/dbraw/zinc/99/06/06/377990606.db2.gz MOYSDDLLJPXDBV-QLFBSQMISA-N 2 1 289.423 2.300 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000442917086 378018134 /nfs/dbraw/zinc/01/81/34/378018134.db2.gz CAVMCMWKMKTOMW-HNNXBMFYSA-N 2 1 288.439 2.243 20 0 CEADMP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057804 378031828 /nfs/dbraw/zinc/03/18/28/378031828.db2.gz HZGSADFKFNFJBT-CHWSQXEVSA-N 2 1 293.386 2.214 20 0 CEADMP CC(C)[C@H]1C[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CS1 ZINC000443066811 378033794 /nfs/dbraw/zinc/03/37/94/378033794.db2.gz HZPQYIQXQMWAJU-LSDHHAIUSA-N 2 1 299.528 2.132 20 0 CEADMP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443079422 378035812 /nfs/dbraw/zinc/03/58/12/378035812.db2.gz ZMHGFKGVPAXHCN-CQSZACIVSA-N 2 1 284.407 2.499 20 0 CEADMP C[N@H+](C[C@@H](O)c1ccc(F)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000266018164 190223458 /nfs/dbraw/zinc/22/34/58/190223458.db2.gz QXKDPAPBPCWCSQ-MLGOLLRUSA-N 2 1 298.377 2.272 20 0 CEADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000266018164 190223459 /nfs/dbraw/zinc/22/34/59/190223459.db2.gz QXKDPAPBPCWCSQ-MLGOLLRUSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@@H](O)c1ccc(F)cc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000266018164 190223460 /nfs/dbraw/zinc/22/34/60/190223460.db2.gz QXKDPAPBPCWCSQ-MLGOLLRUSA-N 2 1 298.377 2.272 20 0 CEADMP C[NH+](C[C@@H](O)c1ccc(F)cc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000266018164 190223461 /nfs/dbraw/zinc/22/34/61/190223461.db2.gz QXKDPAPBPCWCSQ-MLGOLLRUSA-N 2 1 298.377 2.272 20 0 CEADMP CCC[NH2+][C@H](C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000295233637 378064245 /nfs/dbraw/zinc/06/42/45/378064245.db2.gz SDGYZRIUEWZDPF-LSDHHAIUSA-N 2 1 291.439 2.011 20 0 CEADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000442922644 378019677 /nfs/dbraw/zinc/01/96/77/378019677.db2.gz PJDXTJYODRYVCY-HNNXBMFYSA-N 2 1 284.407 2.433 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442922273 378019801 /nfs/dbraw/zinc/01/98/01/378019801.db2.gz KEGXNBUTXAAXJD-AWEZNQCLSA-N 2 1 261.413 2.313 20 0 CEADMP C[C@H]1C[C@@H](NCC[NH+]2CCCC(C)(C)C2)CC[N@H+]1C ZINC000447566772 378117734 /nfs/dbraw/zinc/11/77/34/378117734.db2.gz WHWMTJDHIBHQHF-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@@H](NCC[N@@H+]2CCCC(C)(C)C2)CC[NH+]1C ZINC000447566772 378117742 /nfs/dbraw/zinc/11/77/42/378117742.db2.gz WHWMTJDHIBHQHF-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@H]1C[C@@H](NCC[N@H+]2CCCC(C)(C)C2)CC[NH+]1C ZINC000447566772 378117748 /nfs/dbraw/zinc/11/77/48/378117748.db2.gz WHWMTJDHIBHQHF-GJZGRUSLSA-N 2 1 267.461 2.181 20 0 CEADMP C[NH+](CC(O)C[N@H+](C)CC(C)(C)C)CC(C)(C)C ZINC000447313685 378103154 /nfs/dbraw/zinc/10/31/54/378103154.db2.gz KTPRZXGVLAUJIB-UHFFFAOYSA-N 2 1 258.450 2.303 20 0 CEADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000450400132 378395566 /nfs/dbraw/zinc/39/55/66/378395566.db2.gz FQYQZCFMAHJIMY-BFYDXBDKSA-N 2 1 276.424 2.035 20 0 CEADMP CCc1cc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000450483686 378443069 /nfs/dbraw/zinc/44/30/69/378443069.db2.gz JZAWGWKFJSSBLO-OKILXGFUSA-N 2 1 277.412 2.189 20 0 CEADMP COCC[N@@H+](C)CCCNCc1cccc(C)c1F ZINC000296257151 378468705 /nfs/dbraw/zinc/46/87/05/378468705.db2.gz DFCNTADRYSXMQR-UHFFFAOYSA-N 2 1 268.376 2.192 20 0 CEADMP COCC[N@H+](C)CCC[NH2+]Cc1cccc(C)c1F ZINC000296257151 378468710 /nfs/dbraw/zinc/46/87/10/378468710.db2.gz DFCNTADRYSXMQR-UHFFFAOYSA-N 2 1 268.376 2.192 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2cscn2)[C@@H](C)C1 ZINC000450563582 378477828 /nfs/dbraw/zinc/47/78/28/378477828.db2.gz ISYNUVFESKSDDK-JSGCOSHPSA-N 2 1 267.442 2.348 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2cscn2)[C@@H](C)C1 ZINC000450563582 378477833 /nfs/dbraw/zinc/47/78/33/378477833.db2.gz ISYNUVFESKSDDK-JSGCOSHPSA-N 2 1 267.442 2.348 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2cscn2)[C@@H](C)C1 ZINC000450563582 378477837 /nfs/dbraw/zinc/47/78/37/378477837.db2.gz ISYNUVFESKSDDK-JSGCOSHPSA-N 2 1 267.442 2.348 20 0 CEADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1(C)C ZINC000450970862 378666232 /nfs/dbraw/zinc/66/62/32/378666232.db2.gz NZKKOJCZSNNHGW-ARFHVFGLSA-N 2 1 298.471 2.015 20 0 CEADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1(C)C ZINC000450970862 378666236 /nfs/dbraw/zinc/66/62/36/378666236.db2.gz NZKKOJCZSNNHGW-ARFHVFGLSA-N 2 1 298.471 2.015 20 0 CEADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncn1 ZINC000453094103 378800688 /nfs/dbraw/zinc/80/06/88/378800688.db2.gz WZYSBDSZVPGMSX-ZNMIVQPWSA-N 2 1 292.427 2.017 20 0 CEADMP CC(C)[C@@H](C[NH2+][C@H](C)Cc1cnccn1)[NH+]1CCCC1 ZINC000453068361 378793115 /nfs/dbraw/zinc/79/31/15/378793115.db2.gz ATPBBPBDTLYLCE-GDBMZVCRSA-N 2 1 276.428 2.118 20 0 CEADMP Cn1cnc2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)ccc21 ZINC000346847385 218033850 /nfs/dbraw/zinc/03/38/50/218033850.db2.gz MGNJMEHRTRMGHL-KKUMJFAQSA-N 2 1 284.407 2.133 20 0 CEADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000453098702 378801990 /nfs/dbraw/zinc/80/19/90/378801990.db2.gz JZZGRVPMRVSUSK-INIZCTEOSA-N 2 1 279.472 2.326 20 0 CEADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccncc1 ZINC000453097995 378802474 /nfs/dbraw/zinc/80/24/74/378802474.db2.gz WYIXVYHRHZFHBZ-HNNXBMFYSA-N 2 1 265.401 2.091 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCn3ccnc32)C1 ZINC000453104217 378804786 /nfs/dbraw/zinc/80/47/86/378804786.db2.gz DZQYTCAZISLPMN-ZIAGYGMSSA-N 2 1 262.401 2.038 20 0 CEADMP CC(C)c1nc([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)no1 ZINC000346823956 218025593 /nfs/dbraw/zinc/02/55/93/218025593.db2.gz KGGLQWSWDJCABZ-AWEZNQCLSA-N 2 1 292.427 2.372 20 0 CEADMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000346825038 218025620 /nfs/dbraw/zinc/02/56/20/218025620.db2.gz AEHOQLAZNIKHEW-NWANDNLSSA-N 2 1 275.396 2.040 20 0 CEADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccn1 ZINC000453291884 378856159 /nfs/dbraw/zinc/85/61/59/378856159.db2.gz OFSGRKCZNVQRDK-XHSDSOJGSA-N 2 1 259.397 2.352 20 0 CEADMP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)OC ZINC000453297127 378857135 /nfs/dbraw/zinc/85/71/35/378857135.db2.gz HPOAKDNAXUYKFL-LJISPDSOSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453307361 378859072 /nfs/dbraw/zinc/85/90/72/378859072.db2.gz KLQKXGYBJIIXNH-DJIMGWMZSA-N 2 1 273.424 2.395 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000453321368 378863143 /nfs/dbraw/zinc/86/31/43/378863143.db2.gz PVBLTYBPWNJDDQ-ILXRZTDVSA-N 2 1 266.429 2.266 20 0 CEADMP CC(C)[C@@H](Cn1cccn1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453400391 378888304 /nfs/dbraw/zinc/88/83/04/378888304.db2.gz LZQFSWOSAIFTGP-MRXNPFEDSA-N 2 1 278.444 2.372 20 0 CEADMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccn(C)n1 ZINC000453402759 378888366 /nfs/dbraw/zinc/88/83/66/378888366.db2.gz NTBVWDKIIZAXLQ-AWEZNQCLSA-N 2 1 264.417 2.335 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c2nccn21 ZINC000453363507 378875223 /nfs/dbraw/zinc/87/52/23/378875223.db2.gz RPDRNWNFTOVSRL-QKGCVVFFSA-N 2 1 274.412 2.351 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c2nccn21 ZINC000453363507 378875227 /nfs/dbraw/zinc/87/52/27/378875227.db2.gz RPDRNWNFTOVSRL-QKGCVVFFSA-N 2 1 274.412 2.351 20 0 CEADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H](C[NH3+])C1 ZINC000347040194 218102817 /nfs/dbraw/zinc/10/28/17/218102817.db2.gz HRGBBBKXKVDUKW-QGZVFWFLSA-N 2 1 289.467 2.425 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000347063150 218109411 /nfs/dbraw/zinc/10/94/11/218109411.db2.gz ISUJOGUFDPJFCO-NSHDSACASA-N 2 1 276.409 2.180 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000347063150 218109413 /nfs/dbraw/zinc/10/94/13/218109413.db2.gz ISUJOGUFDPJFCO-NSHDSACASA-N 2 1 276.409 2.180 20 0 CEADMP COc1cc2c(c(C[N@@H+]3CCC[C@H](C[NH3+])C3)c1)O[C@H](C)C2 ZINC000347022401 218095017 /nfs/dbraw/zinc/09/50/17/218095017.db2.gz OEEGDYRQOIVXSO-CHWSQXEVSA-N 2 1 290.407 2.189 20 0 CEADMP COc1cc2c(c(C[N@H+]3CCC[C@H](C[NH3+])C3)c1)O[C@H](C)C2 ZINC000347022401 218095020 /nfs/dbraw/zinc/09/50/20/218095020.db2.gz OEEGDYRQOIVXSO-CHWSQXEVSA-N 2 1 290.407 2.189 20 0 CEADMP COc1c(C)cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1C ZINC000347115649 218126358 /nfs/dbraw/zinc/12/63/58/218126358.db2.gz UWBPWGOAGHEJHB-CQSZACIVSA-N 2 1 262.397 2.483 20 0 CEADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347121108 218129645 /nfs/dbraw/zinc/12/96/45/218129645.db2.gz KSZMTLQXJIMXIZ-DOTOQJQBSA-N 2 1 289.423 2.409 20 0 CEADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347121108 218129646 /nfs/dbraw/zinc/12/96/46/218129646.db2.gz KSZMTLQXJIMXIZ-DOTOQJQBSA-N 2 1 289.423 2.409 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347121108 218129649 /nfs/dbraw/zinc/12/96/49/218129649.db2.gz KSZMTLQXJIMXIZ-DOTOQJQBSA-N 2 1 289.423 2.409 20 0 CEADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347121108 218129651 /nfs/dbraw/zinc/12/96/51/218129651.db2.gz KSZMTLQXJIMXIZ-DOTOQJQBSA-N 2 1 289.423 2.409 20 0 CEADMP CCc1ncc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000347151253 218139473 /nfs/dbraw/zinc/13/94/73/218139473.db2.gz ZSNZDJPPLZLFAS-WDEREUQCSA-N 2 1 253.415 2.265 20 0 CEADMP CCc1ncc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000347151253 218139474 /nfs/dbraw/zinc/13/94/74/218139474.db2.gz ZSNZDJPPLZLFAS-WDEREUQCSA-N 2 1 253.415 2.265 20 0 CEADMP C[C@H](NC(=O)[C@@H]1CCCN1C)c1cccc(-n2ccnc2)c1 ZINC000266340518 190250438 /nfs/dbraw/zinc/25/04/38/190250438.db2.gz YFTYOQDFODJNDL-BBRMVZONSA-N 2 1 298.390 2.144 20 0 CEADMP Cc1ccccc1[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000289460073 197357559 /nfs/dbraw/zinc/35/75/59/197357559.db2.gz GEBGOMNZFYOEBN-WMZOPIPTSA-N 2 1 288.435 2.491 20 0 CEADMP Cc1ccccc1[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000289460073 197357560 /nfs/dbraw/zinc/35/75/60/197357560.db2.gz GEBGOMNZFYOEBN-WMZOPIPTSA-N 2 1 288.435 2.491 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000300458318 379173070 /nfs/dbraw/zinc/17/30/70/379173070.db2.gz XFCJUJQUSPZOGQ-YYIAUSFCSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000300458318 379173078 /nfs/dbraw/zinc/17/30/78/379173078.db2.gz XFCJUJQUSPZOGQ-YYIAUSFCSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000300458318 379173084 /nfs/dbraw/zinc/17/30/84/379173084.db2.gz XFCJUJQUSPZOGQ-YYIAUSFCSA-N 2 1 280.456 2.486 20 0 CEADMP Cc1cc([C@@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)on1 ZINC000515068716 379183201 /nfs/dbraw/zinc/18/32/01/379183201.db2.gz MOLSFLSFXCJHFY-AWEZNQCLSA-N 2 1 274.368 2.486 20 0 CEADMP Cc1cc([C@@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)on1 ZINC000515068716 379183210 /nfs/dbraw/zinc/18/32/10/379183210.db2.gz MOLSFLSFXCJHFY-AWEZNQCLSA-N 2 1 274.368 2.486 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCCSC1)c1c[nH+]ccc1N ZINC000516562075 379293170 /nfs/dbraw/zinc/29/31/70/379293170.db2.gz KYJGSRSSFBNEBP-WDEREUQCSA-N 2 1 251.399 2.288 20 0 CEADMP Cc1[nH+]ccn1CCCCN1Cc2cccnc2C1 ZINC000517026409 379336479 /nfs/dbraw/zinc/33/64/79/379336479.db2.gz SZAMQKHQOQSEDC-UHFFFAOYSA-N 2 1 256.353 2.383 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000517033279 379339228 /nfs/dbraw/zinc/33/92/28/379339228.db2.gz QFTYDLLHFVIHRA-UONOGXRCSA-N 2 1 289.423 2.120 20 0 CEADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000517033277 379339523 /nfs/dbraw/zinc/33/95/23/379339523.db2.gz QFTYDLLHFVIHRA-KBPBESRZSA-N 2 1 289.423 2.120 20 0 CEADMP CC(C)[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CCS1 ZINC000518558479 379392461 /nfs/dbraw/zinc/39/24/61/379392461.db2.gz UYVGTXUECQNIQL-CQSZACIVSA-N 2 1 267.442 2.426 20 0 CEADMP CC(C)[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCS1 ZINC000518558479 379392470 /nfs/dbraw/zinc/39/24/70/379392470.db2.gz UYVGTXUECQNIQL-CQSZACIVSA-N 2 1 267.442 2.426 20 0 CEADMP Cc1cc(NC(=O)CCCC[NH+](C)C)cn2cc[nH+]c12 ZINC000517194548 379347362 /nfs/dbraw/zinc/34/73/62/379347362.db2.gz RRRYMFJZOIRFIQ-UHFFFAOYSA-N 2 1 274.368 2.313 20 0 CEADMP CCC[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000518689790 379401851 /nfs/dbraw/zinc/40/18/51/379401851.db2.gz YPYOYHBNGKPYGM-OAHLLOKOSA-N 2 1 256.434 2.200 20 0 CEADMP CC[C@H](C(=O)N1CC[N@H+](CC)C[C@@H]1CC)[NH+](CC)CC ZINC000456368161 379410216 /nfs/dbraw/zinc/41/02/16/379410216.db2.gz DVZHVTJSOHBBLU-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP CC[C@H](C(=O)N1CC[N@@H+](CC)C[C@@H]1CC)[NH+](CC)CC ZINC000456368161 379410221 /nfs/dbraw/zinc/41/02/21/379410221.db2.gz DVZHVTJSOHBBLU-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP C[NH+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000521928317 379550464 /nfs/dbraw/zinc/55/04/64/379550464.db2.gz LAWQKPAQMROBRA-CVEARBPZSA-N 2 1 295.471 2.194 20 0 CEADMP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000305142770 379659031 /nfs/dbraw/zinc/65/90/31/379659031.db2.gz QRSBWNQFPPWNAN-CBBWQLFWSA-N 2 1 256.434 2.103 20 0 CEADMP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000305148408 379660849 /nfs/dbraw/zinc/66/08/49/379660849.db2.gz SQHBXGYTDIMFFO-UONOGXRCSA-N 2 1 256.434 2.248 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000267303597 190319750 /nfs/dbraw/zinc/31/97/50/190319750.db2.gz VFTCJEPDQKUAKO-GHMZBOCLSA-N 2 1 259.357 2.243 20 0 CEADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2cccc(C[NH+](C)C)c2)C1 ZINC000347717057 218332569 /nfs/dbraw/zinc/33/25/69/218332569.db2.gz JAZZZOLTZIJKFZ-WMLDXEAASA-N 2 1 275.440 2.178 20 0 CEADMP CC[N@H+]1C[C@H](C)[C@H](NCc2cccc(C[NH+](C)C)c2)C1 ZINC000347717057 218332571 /nfs/dbraw/zinc/33/25/71/218332571.db2.gz JAZZZOLTZIJKFZ-WMLDXEAASA-N 2 1 275.440 2.178 20 0 CEADMP C[C@@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000267270008 190316731 /nfs/dbraw/zinc/31/67/31/190316731.db2.gz SECCUBYGKXENPR-UPJWGTAASA-N 2 1 290.411 2.347 20 0 CEADMP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305296798 379704927 /nfs/dbraw/zinc/70/49/27/379704927.db2.gz GQAHKGPCLTZZPQ-XHSDSOJGSA-N 2 1 268.445 2.390 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000267433951 190330352 /nfs/dbraw/zinc/33/03/52/190330352.db2.gz NKCLZBLKYZBRHN-MJBXVCDLSA-N 2 1 292.427 2.282 20 0 CEADMP CCC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000267433951 190330353 /nfs/dbraw/zinc/33/03/53/190330353.db2.gz NKCLZBLKYZBRHN-MJBXVCDLSA-N 2 1 292.427 2.282 20 0 CEADMP CCc1cc(CCC[N@@H+]2CC[C@H](C[NH+](C)C)C2)on1 ZINC000347807175 218365569 /nfs/dbraw/zinc/36/55/69/218365569.db2.gz RSSSSRTYLZLVLS-CYBMUJFWSA-N 2 1 265.401 2.053 20 0 CEADMP CCc1cc(CCC[N@H+]2CC[C@H](C[NH+](C)C)C2)on1 ZINC000347807175 218365571 /nfs/dbraw/zinc/36/55/71/218365571.db2.gz RSSSSRTYLZLVLS-CYBMUJFWSA-N 2 1 265.401 2.053 20 0 CEADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457822539 379929067 /nfs/dbraw/zinc/92/90/67/379929067.db2.gz JORBXMNARZVYGX-CQSZACIVSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1cnccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000528517156 380002362 /nfs/dbraw/zinc/00/23/62/380002362.db2.gz MYNNKNKHCYNJAP-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cnccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000528517156 380002365 /nfs/dbraw/zinc/00/23/65/380002365.db2.gz MYNNKNKHCYNJAP-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cnccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000528517156 380002370 /nfs/dbraw/zinc/00/23/70/380002370.db2.gz MYNNKNKHCYNJAP-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP Cc1cnccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000528517156 380002375 /nfs/dbraw/zinc/00/23/75/380002375.db2.gz MYNNKNKHCYNJAP-INIZCTEOSA-N 2 1 259.397 2.308 20 0 CEADMP COCCSCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000488453979 380097129 /nfs/dbraw/zinc/09/71/29/380097129.db2.gz XRMMLIXQZRQJKY-CQSZACIVSA-N 2 1 274.474 2.030 20 0 CEADMP COCCSCCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000488453979 380097133 /nfs/dbraw/zinc/09/71/33/380097133.db2.gz XRMMLIXQZRQJKY-CQSZACIVSA-N 2 1 274.474 2.030 20 0 CEADMP COCCSCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000488453979 380097135 /nfs/dbraw/zinc/09/71/35/380097135.db2.gz XRMMLIXQZRQJKY-CQSZACIVSA-N 2 1 274.474 2.030 20 0 CEADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000334320973 380271766 /nfs/dbraw/zinc/27/17/66/380271766.db2.gz HJBTXOQPLQDZEK-PMUOWJKOSA-N 2 1 250.308 2.257 20 0 CEADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000334320973 380271772 /nfs/dbraw/zinc/27/17/72/380271772.db2.gz HJBTXOQPLQDZEK-PMUOWJKOSA-N 2 1 250.308 2.257 20 0 CEADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000359491518 220273946 /nfs/dbraw/zinc/27/39/46/220273946.db2.gz FLTIZOCXHKZMJZ-MRXNPFEDSA-N 2 1 295.471 2.099 20 0 CEADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C2(C)CCCC2)CC1 ZINC000489855034 380218149 /nfs/dbraw/zinc/21/81/49/380218149.db2.gz IDEGEPSUAXRPRN-UHFFFAOYSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H](O)C(F)(F)F ZINC000537096625 380237066 /nfs/dbraw/zinc/23/70/66/380237066.db2.gz FICWIWGGDNYGJI-QWHCGFSZSA-N 2 1 294.361 2.152 20 0 CEADMP CCc1nocc1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334426610 380395062 /nfs/dbraw/zinc/39/50/62/380395062.db2.gz VYFDWIBZHQOROO-HNNXBMFYSA-N 2 1 263.385 2.155 20 0 CEADMP C[NH+](C)C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCC1 ZINC000548392661 380509552 /nfs/dbraw/zinc/50/95/52/380509552.db2.gz YSPPIKAHMCOYMJ-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548392365 380509576 /nfs/dbraw/zinc/50/95/76/380509576.db2.gz OCXUBSUKQYYUSW-HUUCEWRRSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548392365 380509580 /nfs/dbraw/zinc/50/95/80/380509580.db2.gz OCXUBSUKQYYUSW-HUUCEWRRSA-N 2 1 295.471 2.192 20 0 CEADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548392365 380509582 /nfs/dbraw/zinc/50/95/82/380509582.db2.gz OCXUBSUKQYYUSW-HUUCEWRRSA-N 2 1 295.471 2.192 20 0 CEADMP C(C1CC1)[NH+]1CCC([N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000334530032 380539973 /nfs/dbraw/zinc/53/99/73/380539973.db2.gz GBZBGYHHJSJUEV-QGZVFWFLSA-N 2 1 278.440 2.363 20 0 CEADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000549840617 380613357 /nfs/dbraw/zinc/61/33/57/380613357.db2.gz LWQRTHDFQYKPSK-SJORKVTESA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC[C@]2(CCN(CC[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000549840617 380613359 /nfs/dbraw/zinc/61/33/59/380613359.db2.gz LWQRTHDFQYKPSK-SJORKVTESA-N 2 1 279.472 2.279 20 0 CEADMP C[NH+]1CCC[C@]2(CCN(CC[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000549840617 380613365 /nfs/dbraw/zinc/61/33/65/380613365.db2.gz LWQRTHDFQYKPSK-SJORKVTESA-N 2 1 279.472 2.279 20 0 CEADMP CC1([NH2+]Cc2cc(F)c(F)c(F)c2)CC[NH2+]CC1 ZINC000334842646 207172147 /nfs/dbraw/zinc/17/21/47/207172147.db2.gz MXONGBZGQFNMGV-UHFFFAOYSA-N 2 1 258.287 2.336 20 0 CEADMP Cc1cccc2ncc(C[N@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)n21 ZINC000335348571 208245765 /nfs/dbraw/zinc/24/57/65/208245765.db2.gz KIPAFAIWJLESPC-MLGOLLRUSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1cccc2ncc(C[N@@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)n21 ZINC000335348571 208245769 /nfs/dbraw/zinc/24/57/69/208245769.db2.gz KIPAFAIWJLESPC-MLGOLLRUSA-N 2 1 272.396 2.059 20 0 CEADMP Cc1cnc(CC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000335367726 208291057 /nfs/dbraw/zinc/29/10/57/208291057.db2.gz XFECUYKIDCDUCK-KRWDZBQOSA-N 2 1 273.424 2.269 20 0 CEADMP Cc1cnc(CC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000335367726 208291064 /nfs/dbraw/zinc/29/10/64/208291064.db2.gz XFECUYKIDCDUCK-KRWDZBQOSA-N 2 1 273.424 2.269 20 0 CEADMP Cc1cnc(CC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000335367726 208291070 /nfs/dbraw/zinc/29/10/70/208291070.db2.gz XFECUYKIDCDUCK-KRWDZBQOSA-N 2 1 273.424 2.269 20 0 CEADMP Cc1[nH+]ccc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1Cl ZINC000350284526 219005188 /nfs/dbraw/zinc/00/51/88/219005188.db2.gz AYJFFZPYTGMVIS-CYBMUJFWSA-N 2 1 297.830 2.234 20 0 CEADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000337523794 285148914 /nfs/dbraw/zinc/14/89/14/285148914.db2.gz QRKRJLCWAOSZCM-YESZJQIVSA-N 2 1 298.471 2.018 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000289182969 197255640 /nfs/dbraw/zinc/25/56/40/197255640.db2.gz APFADHLRIROWQU-OLMNPRSZSA-N 2 1 288.435 2.400 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000289182969 197255641 /nfs/dbraw/zinc/25/56/41/197255641.db2.gz APFADHLRIROWQU-OLMNPRSZSA-N 2 1 288.435 2.400 20 0 CEADMP COCC[N@H+](C)CCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281290492 195183034 /nfs/dbraw/zinc/18/30/34/195183034.db2.gz QKLJXTHUPQUQDE-MRXNPFEDSA-N 2 1 295.402 2.230 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281290492 195183036 /nfs/dbraw/zinc/18/30/36/195183036.db2.gz QKLJXTHUPQUQDE-MRXNPFEDSA-N 2 1 295.402 2.230 20 0 CEADMP O[C@@H]1CCCC[C@H]1[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000305645575 285313500 /nfs/dbraw/zinc/31/35/00/285313500.db2.gz ANEHOPDDAIZIKO-ARFHVFGLSA-N 2 1 266.429 2.240 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182826171 260040930 /nfs/dbraw/zinc/04/09/30/260040930.db2.gz SVBMSPQXUOTOMH-GJZGRUSLSA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+](CC)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182826191 260041158 /nfs/dbraw/zinc/04/11/58/260041158.db2.gz SVBMSPQXUOTOMH-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](CC(C)C)CC2)[C@@H](C)C1 ZINC000247014367 285375958 /nfs/dbraw/zinc/37/59/58/285375958.db2.gz LJTDWWFIWCKKSU-DOTOQJQBSA-N 2 1 281.488 2.427 20 0 CEADMP COC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000125992347 285399283 /nfs/dbraw/zinc/39/92/83/285399283.db2.gz JKQYDSRXPJFUCM-ZFWWWQNUSA-N 2 1 254.418 2.266 20 0 CEADMP Cc1cccc(N2CCC([NH2+]Cc3cc[nH]c3)CC2)[nH+]1 ZINC000086254505 134506328 /nfs/dbraw/zinc/50/63/28/134506328.db2.gz SMEHNCDDJMYHLG-UHFFFAOYSA-N 2 1 270.380 2.477 20 0 CEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000300406719 394455516 /nfs/dbraw/zinc/45/55/16/394455516.db2.gz BCMZSWFSYNHXEY-ZBFHGGJFSA-N 2 1 291.439 2.313 20 0 CEADMP CN(C)C[C@](C)(O)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000228724249 394476388 /nfs/dbraw/zinc/47/63/88/394476388.db2.gz IYECFDRARUYGKR-CYBMUJFWSA-N 2 1 290.329 2.108 20 0 CEADMP CC1CCC(O)(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000304325858 394484071 /nfs/dbraw/zinc/48/40/71/394484071.db2.gz SIHFSGQUEFLJAW-CGZBRXJRSA-N 2 1 280.456 2.345 20 0 CEADMP CC(C)[NH+]1CCC(N[C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000036908338 394495833 /nfs/dbraw/zinc/49/58/33/394495833.db2.gz CUMPQRMUCGLVGT-YCPHGPKFSA-N 2 1 267.461 2.178 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000253284544 394576856 /nfs/dbraw/zinc/57/68/56/394576856.db2.gz MZARUTPMPNRUJY-UMVBOHGHSA-N 2 1 260.381 2.092 20 0 CEADMP CCC(C)(C)OCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000308542954 394528090 /nfs/dbraw/zinc/52/80/90/394528090.db2.gz LWBGSYKOEHKQKV-UONOGXRCSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC1CCOCC1 ZINC000308639210 394529689 /nfs/dbraw/zinc/52/96/89/394529689.db2.gz ZNFJQTBLEKQMDY-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C(C)(C)C)CC1 ZINC000355793822 394533319 /nfs/dbraw/zinc/53/33/19/394533319.db2.gz ASBKOHNPBJIIET-HNNXBMFYSA-N 2 1 295.471 2.097 20 0 CEADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000312556546 394541535 /nfs/dbraw/zinc/54/15/35/394541535.db2.gz HJIXVUPLEZGFSL-WZRBSPASSA-N 2 1 292.345 2.170 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCC(C)(C)O2)CC[N@@H+]1C ZINC000248557322 394543237 /nfs/dbraw/zinc/54/32/37/394543237.db2.gz CPZMYEFOZKYQII-MGPQQGTHSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCC(C)(C)O2)CC[N@H+]1C ZINC000248557322 394543241 /nfs/dbraw/zinc/54/32/41/394543241.db2.gz CPZMYEFOZKYQII-MGPQQGTHSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCC(C)(C)O2)CC[NH+]1C ZINC000248557322 394543245 /nfs/dbraw/zinc/54/32/45/394543245.db2.gz CPZMYEFOZKYQII-MGPQQGTHSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCC(C)(C)O2)CC[NH+]1C ZINC000248557322 394543246 /nfs/dbraw/zinc/54/32/46/394543246.db2.gz CPZMYEFOZKYQII-MGPQQGTHSA-N 2 1 254.418 2.359 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CCCc1cnn(C)c1 ZINC000313955210 394543924 /nfs/dbraw/zinc/54/39/24/394543924.db2.gz HMJAIVJWRAZTQW-OAHLLOKOSA-N 2 1 278.444 2.207 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2c[nH]c3nccnc23)C[C@H]1C ZINC000356144425 394547571 /nfs/dbraw/zinc/54/75/71/394547571.db2.gz ZGZAZURTIXEDKF-OCCSQVGLSA-N 2 1 287.411 2.214 20 0 CEADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]c3nccnc23)C[C@H]1C ZINC000356144425 394547577 /nfs/dbraw/zinc/54/75/77/394547577.db2.gz ZGZAZURTIXEDKF-OCCSQVGLSA-N 2 1 287.411 2.214 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]c3nccnc23)C[C@H]1C ZINC000356144425 394547581 /nfs/dbraw/zinc/54/75/81/394547581.db2.gz ZGZAZURTIXEDKF-OCCSQVGLSA-N 2 1 287.411 2.214 20 0 CEADMP CCOC(=O)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000049772905 394552366 /nfs/dbraw/zinc/55/23/66/394552366.db2.gz BAUSYVXUNKATJR-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000049772905 394552370 /nfs/dbraw/zinc/55/23/70/394552370.db2.gz BAUSYVXUNKATJR-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP CCOC(=O)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000049772905 394552374 /nfs/dbraw/zinc/55/23/74/394552374.db2.gz BAUSYVXUNKATJR-CABCVRRESA-N 2 1 282.428 2.136 20 0 CEADMP CSC1(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CCC1 ZINC000356181740 394555307 /nfs/dbraw/zinc/55/53/07/394555307.db2.gz BRRSZPZZZLVYCC-AWEZNQCLSA-N 2 1 286.485 2.099 20 0 CEADMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000090773351 394655857 /nfs/dbraw/zinc/65/58/57/394655857.db2.gz BKIDBJIAGUYXHZ-VQHPVUNQSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000090773351 394655859 /nfs/dbraw/zinc/65/58/59/394655859.db2.gz BKIDBJIAGUYXHZ-VQHPVUNQSA-N 2 1 281.488 2.425 20 0 CEADMP CC(C)C[NH+]1CCC[C@@H]1CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000090773351 394655863 /nfs/dbraw/zinc/65/58/63/394655863.db2.gz BKIDBJIAGUYXHZ-VQHPVUNQSA-N 2 1 281.488 2.425 20 0 CEADMP CCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000257664399 394596400 /nfs/dbraw/zinc/59/64/00/394596400.db2.gz GXSPDLHTJBTXDE-INIZCTEOSA-N 2 1 260.381 2.271 20 0 CEADMP CCOc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000257664399 394596403 /nfs/dbraw/zinc/59/64/03/394596403.db2.gz GXSPDLHTJBTXDE-INIZCTEOSA-N 2 1 260.381 2.271 20 0 CEADMP COc1ccc2c(c1)C[N@@H+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000261968610 394610300 /nfs/dbraw/zinc/61/03/00/394610300.db2.gz HZYZQPNFPDMQBU-MRXNPFEDSA-N 2 1 260.381 2.053 20 0 CEADMP COc1ccc2c(c1)C[N@H+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000261968610 394610303 /nfs/dbraw/zinc/61/03/03/394610303.db2.gz HZYZQPNFPDMQBU-MRXNPFEDSA-N 2 1 260.381 2.053 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCOC2)C1 ZINC000356877124 394640151 /nfs/dbraw/zinc/64/01/51/394640151.db2.gz RYJXHNDHCDQKRB-ZNMIVQPWSA-N 2 1 254.418 2.123 20 0 CEADMP CC[C@H](C(=O)NC[C@H](c1ccco1)[NH+](C)C)[NH+](CC)CC ZINC000265450957 394649133 /nfs/dbraw/zinc/64/91/33/394649133.db2.gz TYIMRZLVZSJYIO-ZIAGYGMSSA-N 2 1 295.427 2.119 20 0 CEADMP C[C@H]([NH2+]CCCCNc1ccccn1)c1c[nH+]ccc1N ZINC000422708462 394730892 /nfs/dbraw/zinc/73/08/92/394730892.db2.gz XRJHSOSTSMVPGW-ZDUSSCGKSA-N 2 1 285.395 2.432 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422736057 394748586 /nfs/dbraw/zinc/74/85/86/394748586.db2.gz VRWUMKWVVHCZRI-BZUAXINKSA-N 2 1 267.461 2.229 20 0 CEADMP CC[C@@H]1CCCCN1CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422736057 394748589 /nfs/dbraw/zinc/74/85/89/394748589.db2.gz VRWUMKWVVHCZRI-BZUAXINKSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422713904 394734922 /nfs/dbraw/zinc/73/49/22/394734922.db2.gz KMZBCDPEUMIZQE-RKVPGOIHSA-N 2 1 287.451 2.163 20 0 CEADMP Cc1sc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])nc1C(C)C ZINC000422714862 394736234 /nfs/dbraw/zinc/73/62/34/394736234.db2.gz RLTCPZUZILQSGS-RAIGVLPGSA-N 2 1 297.468 2.417 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422716986 394737212 /nfs/dbraw/zinc/73/72/12/394737212.db2.gz VCJUBLKODLZCEB-LSDHHAIUSA-N 2 1 299.528 2.454 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000422717108 394737329 /nfs/dbraw/zinc/73/73/29/394737329.db2.gz VKUQJJQQJYKEPB-KBRIMQKVSA-N 2 1 293.430 2.406 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000422726392 394742446 /nfs/dbraw/zinc/74/24/46/394742446.db2.gz DVWPNVMVMBPZNV-LSDHHAIUSA-N 3 1 255.450 2.358 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000422726392 394742449 /nfs/dbraw/zinc/74/24/49/394742449.db2.gz DVWPNVMVMBPZNV-LSDHHAIUSA-N 3 1 255.450 2.358 20 0 CEADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000268858195 394700935 /nfs/dbraw/zinc/70/09/35/394700935.db2.gz RLHVMMFYKWAGQL-WBVHZDCISA-N 2 1 274.408 2.029 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000357656751 394702213 /nfs/dbraw/zinc/70/22/13/394702213.db2.gz MMNSSCNTZVMHIX-FVQBIDKESA-N 2 1 290.455 2.394 20 0 CEADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000357656751 394702216 /nfs/dbraw/zinc/70/22/16/394702216.db2.gz MMNSSCNTZVMHIX-FVQBIDKESA-N 2 1 290.455 2.394 20 0 CEADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H]1C[C@H]1C ZINC000414101742 394703375 /nfs/dbraw/zinc/70/33/75/394703375.db2.gz CAQCVPQAFLWHQT-NONVJHHQSA-N 2 1 288.435 2.387 20 0 CEADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H]1C[C@H]1C ZINC000414109139 394704853 /nfs/dbraw/zinc/70/48/53/394704853.db2.gz GWDXNVITPCOMLW-PMPSAXMXSA-N 2 1 267.461 2.038 20 0 CEADMP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000422733496 394746658 /nfs/dbraw/zinc/74/66/58/394746658.db2.gz QWNKADBLXFECIH-BBWFWOEESA-N 2 1 275.440 2.321 20 0 CEADMP Cc1ccc2ncc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)n2c1 ZINC000422558532 394709823 /nfs/dbraw/zinc/70/98/23/394709823.db2.gz BAQQJQSPZRXWCM-KKUMJFAQSA-N 2 1 286.423 2.448 20 0 CEADMP COc1c(O)cccc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422564148 394712962 /nfs/dbraw/zinc/71/29/62/394712962.db2.gz VOBANILJKRGPFB-OBJOEFQTSA-N 2 1 278.396 2.206 20 0 CEADMP COc1c(O)cccc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422564148 394712964 /nfs/dbraw/zinc/71/29/64/394712964.db2.gz VOBANILJKRGPFB-OBJOEFQTSA-N 2 1 278.396 2.206 20 0 CEADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358250788 394713273 /nfs/dbraw/zinc/71/32/73/394713273.db2.gz JZFNPMXNSVWRKR-DQYPLSBCSA-N 2 1 292.398 2.105 20 0 CEADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358250788 394713274 /nfs/dbraw/zinc/71/32/74/394713274.db2.gz JZFNPMXNSVWRKR-DQYPLSBCSA-N 2 1 292.398 2.105 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(C)(C)c1ccccc1 ZINC000358252037 394713330 /nfs/dbraw/zinc/71/33/30/394713330.db2.gz NJUFNWQGACOFCW-YOEHRIQHSA-N 2 1 276.424 2.009 20 0 CEADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(C)(C)c1ccccc1 ZINC000358252037 394713332 /nfs/dbraw/zinc/71/33/32/394713332.db2.gz NJUFNWQGACOFCW-YOEHRIQHSA-N 2 1 276.424 2.009 20 0 CEADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC(C)(C)CC[NH3+] ZINC000422589890 394715750 /nfs/dbraw/zinc/71/57/50/394715750.db2.gz KIKDTVHZKHEACA-CQSZACIVSA-N 2 1 298.475 2.068 20 0 CEADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1 ZINC000334915126 394718844 /nfs/dbraw/zinc/71/88/44/394718844.db2.gz IPQXVKLUGUONOL-INIZCTEOSA-N 2 1 286.379 2.197 20 0 CEADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1 ZINC000334915126 394718849 /nfs/dbraw/zinc/71/88/49/394718849.db2.gz IPQXVKLUGUONOL-INIZCTEOSA-N 2 1 286.379 2.197 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1 ZINC000334915126 394718857 /nfs/dbraw/zinc/71/88/57/394718857.db2.gz IPQXVKLUGUONOL-INIZCTEOSA-N 2 1 286.379 2.197 20 0 CEADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1 ZINC000334915126 394718860 /nfs/dbraw/zinc/71/88/60/394718860.db2.gz IPQXVKLUGUONOL-INIZCTEOSA-N 2 1 286.379 2.197 20 0 CEADMP Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)nn1C ZINC000414174684 394722092 /nfs/dbraw/zinc/72/20/92/394722092.db2.gz GSRZXELGCIYMHS-ZIAGYGMSSA-N 2 1 264.417 2.111 20 0 CEADMP Brc1c[nH+]ccc1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334968796 394723050 /nfs/dbraw/zinc/72/30/50/394723050.db2.gz CWVLEERKRPSBNO-CYBMUJFWSA-N 2 1 296.212 2.424 20 0 CEADMP c1ccc(OCCC[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422641150 394723116 /nfs/dbraw/zinc/72/31/16/394723116.db2.gz XEZNGMFTOFNECY-UHFFFAOYSA-N 2 1 260.381 2.283 20 0 CEADMP COC(=O)c1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)s1 ZINC000422639643 394723253 /nfs/dbraw/zinc/72/32/53/394723253.db2.gz UARCPUQIURMHDA-UTUOFQBUSA-N 2 1 296.436 2.340 20 0 CEADMP COC(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)s1 ZINC000422639643 394723256 /nfs/dbraw/zinc/72/32/56/394723256.db2.gz UARCPUQIURMHDA-UTUOFQBUSA-N 2 1 296.436 2.340 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC000414189951 394726417 /nfs/dbraw/zinc/72/64/17/394726417.db2.gz RDCFRGWBLIHQBX-NWANDNLSSA-N 2 1 274.408 2.235 20 0 CEADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC000414189951 394726420 /nfs/dbraw/zinc/72/64/20/394726420.db2.gz RDCFRGWBLIHQBX-NWANDNLSSA-N 2 1 274.408 2.235 20 0 CEADMP CC[C@@H](NCC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422703673 394727594 /nfs/dbraw/zinc/72/75/94/394727594.db2.gz NSYVQNLREXMBNF-CVEARBPZSA-N 2 1 267.461 2.371 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422736862 394748415 /nfs/dbraw/zinc/74/84/15/394748415.db2.gz HFLPHGINYHCBIB-ARFHVFGLSA-N 2 1 267.461 2.229 20 0 CEADMP COc1ccc(OC)c(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000414823072 394753108 /nfs/dbraw/zinc/75/31/08/394753108.db2.gz ARSIABZRSZVBRZ-OLZOCXBDSA-N 2 1 278.396 2.182 20 0 CEADMP C[N@@H+](CCN[C@@H]1CCCCC[C@@H]1[NH3+])C1CCCC1 ZINC000422746773 394755532 /nfs/dbraw/zinc/75/55/32/394755532.db2.gz XINXMNUWTJFSBE-LSDHHAIUSA-N 2 1 253.434 2.110 20 0 CEADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000422747972 394756378 /nfs/dbraw/zinc/75/63/78/394756378.db2.gz ZZTAMCARAODTSB-SRVKXCTJSA-N 2 1 297.468 2.283 20 0 CEADMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1c(F)cccc1F ZINC000422749053 394757764 /nfs/dbraw/zinc/75/77/64/394757764.db2.gz XIPAHQJXRJVDTC-BFHYXJOUSA-N 2 1 283.366 2.037 20 0 CEADMP CN(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1c(F)cccc1F ZINC000422749055 394757781 /nfs/dbraw/zinc/75/77/81/394757781.db2.gz XIPAHQJXRJVDTC-MELADBBJSA-N 2 1 283.366 2.037 20 0 CEADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1ccccc1)[NH+](C)C ZINC000422750529 394758540 /nfs/dbraw/zinc/75/85/40/394758540.db2.gz DEUSEOCDHQYTGJ-HYVNUMGLSA-N 2 1 275.440 2.267 20 0 CEADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)COCc1ccccc1 ZINC000422753136 394759875 /nfs/dbraw/zinc/75/98/75/394759875.db2.gz DRBYRZCYSMZOBA-INMHGKMJSA-N 2 1 276.424 2.427 20 0 CEADMP Cc1cc(C)n(CCC[NH2+][C@H](C)c2c[nH+]ccc2N)n1 ZINC000422757867 394762756 /nfs/dbraw/zinc/76/27/56/394762756.db2.gz NFGRUYMXHZHIAL-CYBMUJFWSA-N 2 1 273.384 2.048 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841258 394762811 /nfs/dbraw/zinc/76/28/11/394762811.db2.gz NJQDZRMGKMMZOL-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP C[C@@H](NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422758119 394762914 /nfs/dbraw/zinc/76/29/14/394762914.db2.gz KHXFZBKZJPPMMB-QKPAOTATSA-N 2 1 281.488 2.473 20 0 CEADMP CCN(C)c1ccc(C[NH2+]CC2([NH3+])CCCCC2)cn1 ZINC000414838002 394763732 /nfs/dbraw/zinc/76/37/32/394763732.db2.gz HYRKHRQKRWSWGM-UHFFFAOYSA-N 2 1 276.428 2.289 20 0 CEADMP CCOC(=O)C[C@@H](C)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000119060724 394764036 /nfs/dbraw/zinc/76/40/36/394764036.db2.gz XLOCQVLWDOCZOI-CQSZACIVSA-N 2 1 270.417 2.136 20 0 CEADMP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000414843230 394765837 /nfs/dbraw/zinc/76/58/37/394765837.db2.gz PYSLKQGBNZILSV-JTQLQIEISA-N 2 1 278.425 2.218 20 0 CEADMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000272033115 394766296 /nfs/dbraw/zinc/76/62/96/394766296.db2.gz WUZJYCFPYMZDCQ-JCGIZDLHSA-N 2 1 288.435 2.308 20 0 CEADMP CC[C@@H]([NH2+]CCc1cc(OC)ccc1OC)[C@@H]1CCC[NH2+]1 ZINC000422763792 394767677 /nfs/dbraw/zinc/76/76/77/394767677.db2.gz PLAGTYZXKSFKQA-CVEARBPZSA-N 2 1 292.423 2.367 20 0 CEADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccccc1Br ZINC000414845849 394768399 /nfs/dbraw/zinc/76/83/99/394768399.db2.gz TVMVAFRLQUUJBX-SNVBAGLBSA-N 2 1 271.202 2.394 20 0 CEADMP COC(=O)C1CCC([NH2+][C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000414853501 394771640 /nfs/dbraw/zinc/77/16/40/394771640.db2.gz SQUGZVPORWLYJV-NRXISQOPSA-N 2 1 282.428 2.215 20 0 CEADMP C[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)[C@H]1CCC[NH2+]C1 ZINC000414853954 394772876 /nfs/dbraw/zinc/77/28/76/394772876.db2.gz LOYXBHPXGWUDNG-NEPJUHHUSA-N 2 1 292.814 2.465 20 0 CEADMP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)N1CCC(C)CC1 ZINC000422776471 394776650 /nfs/dbraw/zinc/77/66/50/394776650.db2.gz DRJHTIIQKDIIIK-ARFHVFGLSA-N 2 1 267.461 2.085 20 0 CEADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000422778330 394777811 /nfs/dbraw/zinc/77/78/11/394777811.db2.gz DJXPTNTVUWIYSS-ZFWWWQNUSA-N 2 1 254.418 2.313 20 0 CEADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000422840992 394823699 /nfs/dbraw/zinc/82/36/99/394823699.db2.gz UZHXNLZXCHMTQN-GDBMZVCRSA-N 3 1 267.461 2.229 20 0 CEADMP CC(C)([NH3+])C[NH2+][C@H]1CSCCc2ccccc21 ZINC000335597007 394779987 /nfs/dbraw/zinc/77/99/87/394779987.db2.gz GIYQNCZSLOYNDU-ZDUSSCGKSA-N 2 1 250.411 2.344 20 0 CEADMP C[C@@H](C[NH3+])C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000414875562 394783242 /nfs/dbraw/zinc/78/32/42/394783242.db2.gz JXKALTHVLMTTQB-NSHDSACASA-N 2 1 261.394 2.495 20 0 CEADMP CCCCOCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422784935 394783765 /nfs/dbraw/zinc/78/37/65/394783765.db2.gz QFMILXJNZGRQBE-HOCLYGCPSA-N 2 1 264.413 2.351 20 0 CEADMP C[C@H](C[NH3+])C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000414878600 394784494 /nfs/dbraw/zinc/78/44/94/394784494.db2.gz OJPKEHFBSGRZCX-LLVKDONJSA-N 2 1 261.394 2.495 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)[C@@H](C)C1 ZINC000273208933 394785587 /nfs/dbraw/zinc/78/55/87/394785587.db2.gz JZKUAQJRFLCLNT-SZMVWBNQSA-N 2 1 290.451 2.300 20 0 CEADMP CC(C)n1cc(C[NH2+]CCC[NH2+]Cc2cccnc2)cn1 ZINC000414880102 394785647 /nfs/dbraw/zinc/78/56/47/394785647.db2.gz PXFSCRLIQZGIGP-UHFFFAOYSA-N 2 1 287.411 2.129 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000422794564 394791264 /nfs/dbraw/zinc/79/12/64/394791264.db2.gz ZASCXVGZDKYDKP-CQSZACIVSA-N 3 1 290.455 2.375 20 0 CEADMP Cc1ccc2nc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])[nH]c2c1 ZINC000422802444 394797477 /nfs/dbraw/zinc/79/74/77/394797477.db2.gz BLJKEGBCEYRGCR-OLZOCXBDSA-N 2 1 272.396 2.478 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1c[nH+]ccc1N ZINC000422803745 394799123 /nfs/dbraw/zinc/79/91/23/394799123.db2.gz GMRIUSSXWPAXEG-AAEUAGOBSA-N 2 1 269.348 2.148 20 0 CEADMP C[C@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414926192 394806570 /nfs/dbraw/zinc/80/65/70/394806570.db2.gz MWUVIBAJXCKTOM-RYQLBKOJSA-N 2 1 287.451 2.381 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC000414940519 394813084 /nfs/dbraw/zinc/81/30/84/394813084.db2.gz BQJUBWRQTXITDM-ZFWWWQNUSA-N 2 1 276.428 2.156 20 0 CEADMP CCc1cccc(F)c1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414940306 394813186 /nfs/dbraw/zinc/81/31/86/394813186.db2.gz KELYBJFRIWUOJR-IAQYHMDHSA-N 2 1 250.361 2.476 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000422825718 394814176 /nfs/dbraw/zinc/81/41/76/394814176.db2.gz AVIKGXZSLIULQX-VYDXJSESSA-N 2 1 273.424 2.101 20 0 CEADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414944082 394815485 /nfs/dbraw/zinc/81/54/85/394815485.db2.gz NGEFYDDPNREVBQ-IUCAKERBSA-N 2 1 289.192 2.456 20 0 CEADMP C[C@@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422830149 394817165 /nfs/dbraw/zinc/81/71/65/394817165.db2.gz IFFKYGFMHOLTSH-BPQIPLTHSA-N 2 1 287.451 2.381 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422833277 394818087 /nfs/dbraw/zinc/81/80/87/394818087.db2.gz MBYIXTCOQKQQKM-DLBZAZTESA-N 2 1 298.434 2.343 20 0 CEADMP COC[C@@]1(C[NH2+][C@H](C)Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000414952588 394821842 /nfs/dbraw/zinc/82/18/42/394821842.db2.gz IPOKVRFABVILCE-CJNGLKHVSA-N 2 1 280.387 2.115 20 0 CEADMP CN(C)Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1F ZINC000422739937 394750470 /nfs/dbraw/zinc/75/04/70/394750470.db2.gz AUGDRGBCFMGGFG-YOEHRIQHSA-N 2 1 293.430 2.494 20 0 CEADMP Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000415053853 394866142 /nfs/dbraw/zinc/86/61/42/394866142.db2.gz PEMQGLQZPVZHPO-HIFRSBDPSA-N 2 1 275.396 2.060 20 0 CEADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc2c1OCO2 ZINC000415052299 394866247 /nfs/dbraw/zinc/86/62/47/394866247.db2.gz NDWJCSGQGRSTPW-CYBMUJFWSA-N 2 1 292.379 2.031 20 0 CEADMP Cc1ccccc1-c1cccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000415061080 394869547 /nfs/dbraw/zinc/86/95/47/394869547.db2.gz VPOWDZSRMAPHFB-KRWDZBQOSA-N 2 1 284.403 2.413 20 0 CEADMP COc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000129852218 394875795 /nfs/dbraw/zinc/87/57/95/394875795.db2.gz VHTTZLKCPKDYDP-UONOGXRCSA-N 2 1 278.396 2.146 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000422993572 394877666 /nfs/dbraw/zinc/87/76/66/394877666.db2.gz GBRXJEOELZZRTR-RBSFLKMASA-N 2 1 255.450 2.070 20 0 CEADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000422993572 394877668 /nfs/dbraw/zinc/87/76/68/394877668.db2.gz GBRXJEOELZZRTR-RBSFLKMASA-N 3 1 255.450 2.070 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000422993572 394877670 /nfs/dbraw/zinc/87/76/70/394877670.db2.gz GBRXJEOELZZRTR-RBSFLKMASA-N 3 1 255.450 2.070 20 0 CEADMP CC[C@@]1(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC[NH2+]C1 ZINC000363534230 394879846 /nfs/dbraw/zinc/87/98/46/394879846.db2.gz LVBDIRYGHMOPLF-DOTOQJQBSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000423010701 394880434 /nfs/dbraw/zinc/88/04/34/394880434.db2.gz HDSUGSYINSHTPR-WMHQRMGPSA-N 2 1 261.413 2.147 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000423010701 394880436 /nfs/dbraw/zinc/88/04/36/394880436.db2.gz HDSUGSYINSHTPR-WMHQRMGPSA-N 2 1 261.413 2.147 20 0 CEADMP CC[C@@H](N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422854681 394830927 /nfs/dbraw/zinc/83/09/27/394830927.db2.gz BEWLWEQZTQEUSB-IMJJTQAJSA-N 2 1 265.445 2.124 20 0 CEADMP C[NH2+][C@H](C)CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414970260 394831575 /nfs/dbraw/zinc/83/15/75/394831575.db2.gz HDEJLVSDXFEYPZ-LAVFITLUSA-N 2 1 287.451 2.095 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[N@@H+]1CCCC[C@H]1C ZINC000422858728 394834107 /nfs/dbraw/zinc/83/41/07/394834107.db2.gz JBRSRHIOVLERLN-KGLIPLIRSA-N 2 1 290.455 2.374 20 0 CEADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[N@H+]1CCCC[C@H]1C ZINC000422858728 394834110 /nfs/dbraw/zinc/83/41/10/394834110.db2.gz JBRSRHIOVLERLN-KGLIPLIRSA-N 2 1 290.455 2.374 20 0 CEADMP CCO[C@H](CC[NH+](C)C)CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422867245 394837986 /nfs/dbraw/zinc/83/79/86/394837986.db2.gz RUUYUXWKFGVWOU-KBRIMQKVSA-N 2 1 291.439 2.078 20 0 CEADMP CCCOc1cc(C)ccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422871772 394841726 /nfs/dbraw/zinc/84/17/26/394841726.db2.gz DQJMYNNJEILGMH-CYBMUJFWSA-N 2 1 262.397 2.481 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000422874227 394841899 /nfs/dbraw/zinc/84/18/99/394841899.db2.gz CIGPHZREAUMPEB-QXSJWSMHSA-N 3 1 267.461 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCC[C@H]2N)C1 ZINC000422874227 394841903 /nfs/dbraw/zinc/84/19/03/394841903.db2.gz CIGPHZREAUMPEB-QXSJWSMHSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCC[C@H]2N)C1 ZINC000422874227 394841905 /nfs/dbraw/zinc/84/19/05/394841905.db2.gz CIGPHZREAUMPEB-QXSJWSMHSA-N 2 1 267.461 2.214 20 0 CEADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422874827 394843099 /nfs/dbraw/zinc/84/30/99/394843099.db2.gz DIDNJKTWRJJOAO-OAGGEKHMSA-N 3 1 267.461 2.229 20 0 CEADMP C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422874827 394843102 /nfs/dbraw/zinc/84/31/02/394843102.db2.gz DIDNJKTWRJJOAO-OAGGEKHMSA-N 2 1 267.461 2.229 20 0 CEADMP C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422874827 394843105 /nfs/dbraw/zinc/84/31/05/394843105.db2.gz DIDNJKTWRJJOAO-OAGGEKHMSA-N 2 1 267.461 2.229 20 0 CEADMP CCOc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1OCC ZINC000415007606 394846277 /nfs/dbraw/zinc/84/62/77/394846277.db2.gz LRKXYUKXUNBUJR-NWDGAFQWSA-N 2 1 266.385 2.309 20 0 CEADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000415007613 394846522 /nfs/dbraw/zinc/84/65/22/394846522.db2.gz LTSIIJLBNAMLMA-ZJUUUORDSA-N 2 1 276.302 2.453 20 0 CEADMP COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422880240 394846812 /nfs/dbraw/zinc/84/68/12/394846812.db2.gz WOGCIROAKJLWEP-ZNMIVQPWSA-N 2 1 289.423 2.004 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882047 394847046 /nfs/dbraw/zinc/84/70/46/394847046.db2.gz OVMYPAAQAQMVQE-LJISPDSOSA-N 2 1 255.450 2.070 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882047 394847050 /nfs/dbraw/zinc/84/70/50/394847050.db2.gz OVMYPAAQAQMVQE-LJISPDSOSA-N 3 1 255.450 2.070 20 0 CEADMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422882047 394847052 /nfs/dbraw/zinc/84/70/52/394847052.db2.gz OVMYPAAQAQMVQE-LJISPDSOSA-N 3 1 255.450 2.070 20 0 CEADMP Cc1ccc([C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N2CCCC2)o1 ZINC000422880863 394847057 /nfs/dbraw/zinc/84/70/57/394847057.db2.gz PBZYFAWGZJEDKI-YDHLFZDLSA-N 2 1 279.428 2.440 20 0 CEADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422883845 394848112 /nfs/dbraw/zinc/84/81/12/394848112.db2.gz VSFSPEUQMVMNHQ-QHKQPCLISA-N 2 1 279.472 2.225 20 0 CEADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422884666 394849001 /nfs/dbraw/zinc/84/90/01/394849001.db2.gz SNHXKXXIWGBLSV-PMRDEQMMSA-N 3 1 279.472 2.371 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CNCC[C@H]2C)C1 ZINC000422885315 394849333 /nfs/dbraw/zinc/84/93/33/394849333.db2.gz UECRKNBTCUCSAS-BZUAXINKSA-N 2 1 267.461 2.086 20 0 CEADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422885315 394849335 /nfs/dbraw/zinc/84/93/35/394849335.db2.gz UECRKNBTCUCSAS-BZUAXINKSA-N 3 1 267.461 2.086 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422885315 394849340 /nfs/dbraw/zinc/84/93/40/394849340.db2.gz UECRKNBTCUCSAS-BZUAXINKSA-N 3 1 267.461 2.086 20 0 CEADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422890152 394852275 /nfs/dbraw/zinc/85/22/75/394852275.db2.gz RKBSOJZLTOIHFY-GJZITSJHSA-N 2 1 265.445 2.122 20 0 CEADMP CCC[NH2+]CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000423311103 394889818 /nfs/dbraw/zinc/88/98/18/394889818.db2.gz PEHTZOQDVJKFAC-IRXDYDNUSA-N 2 1 275.440 2.411 20 0 CEADMP C[C@H](CCc1ccccc1)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415102317 394889947 /nfs/dbraw/zinc/88/99/47/394889947.db2.gz DMTJPUADIHDUMA-NVXWUHKLSA-N 2 1 276.424 2.305 20 0 CEADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000415108974 394892296 /nfs/dbraw/zinc/89/22/96/394892296.db2.gz LILMHUQKEMHYCW-SUNKGSAMSA-N 2 1 251.349 2.402 20 0 CEADMP Cc1cc(N2CCC[N@H+](C3CCOCC3)CC2)cc[nH+]1 ZINC000364322665 394892690 /nfs/dbraw/zinc/89/26/90/394892690.db2.gz GWZXIKUCGARUFD-UHFFFAOYSA-N 2 1 275.396 2.081 20 0 CEADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](C/C=C\c3ccccc3)C2)nn1 ZINC000415120506 394896338 /nfs/dbraw/zinc/89/63/38/394896338.db2.gz GDTAJXYOSNZZIA-LYLYKKCESA-N 2 1 297.406 2.087 20 0 CEADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)nn1 ZINC000415120504 394896685 /nfs/dbraw/zinc/89/66/85/394896685.db2.gz GDTAJXYOSNZZIA-IOMDMTNGSA-N 2 1 297.406 2.087 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415125868 394899188 /nfs/dbraw/zinc/89/91/88/394899188.db2.gz LMAWKMHNWZXMLE-PBHICJAKSA-N 2 1 299.422 2.177 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1cc2cc(OC)ccc2o1 ZINC000415133287 394901129 /nfs/dbraw/zinc/90/11/29/394901129.db2.gz MYJZJNUOXATTNR-UHFFFAOYSA-N 2 1 262.353 2.483 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1cc2cc(OC)ccc2o1 ZINC000415133287 394901131 /nfs/dbraw/zinc/90/11/31/394901131.db2.gz MYJZJNUOXATTNR-UHFFFAOYSA-N 2 1 262.353 2.483 20 0 CEADMP C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@H]1C[NH3+] ZINC000415139420 394902825 /nfs/dbraw/zinc/90/28/25/394902825.db2.gz ZQNPSYHPAURZHQ-DZGCQCFKSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@H]1C[NH3+] ZINC000415139420 394902827 /nfs/dbraw/zinc/90/28/27/394902827.db2.gz ZQNPSYHPAURZHQ-DZGCQCFKSA-N 2 1 284.407 2.493 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000423374500 394905920 /nfs/dbraw/zinc/90/59/20/394905920.db2.gz WZFQUSIPHGYRNP-RBSFLKMASA-N 2 1 295.471 2.001 20 0 CEADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000423378688 394908050 /nfs/dbraw/zinc/90/80/50/394908050.db2.gz MOVOVIKFPBEDIS-BFQNTYOBSA-N 2 1 275.396 2.436 20 0 CEADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1nc2ccccc2n1C ZINC000423391785 394911753 /nfs/dbraw/zinc/91/17/53/394911753.db2.gz PSSMUHJDMMTAMF-RWMBFGLXSA-N 2 1 272.396 2.494 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1c2ccccc2CC[C@H]1CO ZINC000365225872 394922226 /nfs/dbraw/zinc/92/22/26/394922226.db2.gz WMQPRXAJWOGHRJ-LZLYRXPVSA-N 2 1 288.435 2.356 20 0 CEADMP Cc1ccc([C@H](CCn2cncn2)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000423450187 394923216 /nfs/dbraw/zinc/92/32/16/394923216.db2.gz SQCDUZOTOFKTSN-FMKPAKJESA-N 2 1 287.411 2.043 20 0 CEADMP C[C@H]([NH2+]CCc1ccnn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338570894 394923487 /nfs/dbraw/zinc/92/34/87/394923487.db2.gz JIQPHECNMSDYJK-GJZGRUSLSA-N 2 1 290.455 2.205 20 0 CEADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccncc1F ZINC000423486505 394932112 /nfs/dbraw/zinc/93/21/12/394932112.db2.gz ULARXIWFZRLOGL-ZJUUUORDSA-N 2 1 273.302 2.116 20 0 CEADMP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC000423499540 394936120 /nfs/dbraw/zinc/93/61/20/394936120.db2.gz BXUCAYYRFVDFIK-LUKYLMHMSA-N 2 1 274.408 2.147 20 0 CEADMP CC1CCC(O)(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000366013376 394936477 /nfs/dbraw/zinc/93/64/77/394936477.db2.gz WVFOWXSIYXLPTC-CKDBGZEDSA-N 2 1 291.439 2.319 20 0 CEADMP CC1CCC(O)(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000366013376 394936483 /nfs/dbraw/zinc/93/64/83/394936483.db2.gz WVFOWXSIYXLPTC-CKDBGZEDSA-N 2 1 291.439 2.319 20 0 CEADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(CO)c1 ZINC000423505217 394939262 /nfs/dbraw/zinc/93/92/62/394939262.db2.gz OBMOWBBZSAVETN-MLGOLLRUSA-N 2 1 262.397 2.347 20 0 CEADMP CC(C)[NH2+]CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000366186874 394940139 /nfs/dbraw/zinc/94/01/39/394940139.db2.gz FKCGXHQZTDDUKP-UHFFFAOYSA-N 3 1 290.455 2.228 20 0 CEADMP COc1ccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1O ZINC000423553045 394950627 /nfs/dbraw/zinc/95/06/27/394950627.db2.gz KBYMNFJQFVPLRL-NSHDSACASA-N 2 1 264.369 2.194 20 0 CEADMP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1c[nH+]ccc1N ZINC000423552850 394950995 /nfs/dbraw/zinc/95/09/95/394950995.db2.gz QDHWBENROTXKBB-PNESKVBLSA-N 3 1 262.401 2.018 20 0 CEADMP CC[N@@H+]1CC[C@H](N[C@@H]2C[NH+](C)Cc3ccccc32)[C@H](C)C1 ZINC000366694968 394951829 /nfs/dbraw/zinc/95/18/29/394951829.db2.gz LMEJHWFGUFMIKF-FHLIZLRMSA-N 2 1 287.451 2.493 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@@H]2C[NH+](C)Cc3ccccc32)[C@H](C)C1 ZINC000366694968 394951832 /nfs/dbraw/zinc/95/18/32/394951832.db2.gz LMEJHWFGUFMIKF-FHLIZLRMSA-N 2 1 287.451 2.493 20 0 CEADMP CC[NH+]1CC[C@H](N[C@@H]2C[N@H+](C)Cc3ccccc32)[C@H](C)C1 ZINC000366694968 394951833 /nfs/dbraw/zinc/95/18/33/394951833.db2.gz LMEJHWFGUFMIKF-FHLIZLRMSA-N 2 1 287.451 2.493 20 0 CEADMP CC[NH+]1CC[C@H](N[C@@H]2C[N@@H+](C)Cc3ccccc32)[C@H](C)C1 ZINC000366694968 394951837 /nfs/dbraw/zinc/95/18/37/394951837.db2.gz LMEJHWFGUFMIKF-FHLIZLRMSA-N 2 1 287.451 2.493 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC2CC2)CC1 ZINC000340293171 394983055 /nfs/dbraw/zinc/98/30/55/394983055.db2.gz XMAOLLDDAUTNBE-QGZVFWFLSA-N 2 1 279.472 2.277 20 0 CEADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2cnccn2)C[C@H]1c1ccccc1 ZINC000340317587 394984166 /nfs/dbraw/zinc/98/41/66/394984166.db2.gz QTTKYPUGPDXHNL-AEFFLSMTSA-N 2 1 296.418 2.444 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CCc2cnccn2)C[C@H]1c1ccccc1 ZINC000340317587 394984168 /nfs/dbraw/zinc/98/41/68/394984168.db2.gz QTTKYPUGPDXHNL-AEFFLSMTSA-N 2 1 296.418 2.444 20 0 CEADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)CC(F)F)C[C@H]1c1ccccc1 ZINC000340368065 394985070 /nfs/dbraw/zinc/98/50/70/394985070.db2.gz AAPRTKWXGVRKKY-ZNMIVQPWSA-N 2 1 298.377 2.428 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)CC(F)F)C[C@H]1c1ccccc1 ZINC000340368065 394985073 /nfs/dbraw/zinc/98/50/73/394985073.db2.gz AAPRTKWXGVRKKY-ZNMIVQPWSA-N 2 1 298.377 2.428 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC000152088350 394987020 /nfs/dbraw/zinc/98/70/20/394987020.db2.gz OENPHUQYRPFYGG-ZDUSSCGKSA-N 2 1 268.351 2.391 20 0 CEADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC000152088350 394987023 /nfs/dbraw/zinc/98/70/23/394987023.db2.gz OENPHUQYRPFYGG-ZDUSSCGKSA-N 2 1 268.351 2.391 20 0 CEADMP C([C@H]1CC[N@H+](C[C@@H]2CCSC2)C1)[NH+]1CCCC1 ZINC000370535378 395009521 /nfs/dbraw/zinc/00/95/21/395009521.db2.gz JRYQPKOJESTHCO-KGLIPLIRSA-N 2 1 254.443 2.157 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000367617236 394967129 /nfs/dbraw/zinc/96/71/29/394967129.db2.gz QCUHQHZQDXQWBZ-SCRDCRAPSA-N 2 1 262.401 2.250 20 0 CEADMP CC(C)CCOCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158556223 395049460 /nfs/dbraw/zinc/04/94/60/395049460.db2.gz XKYBDXRDXUQGLV-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158556223 395049462 /nfs/dbraw/zinc/04/94/62/395049462.db2.gz XKYBDXRDXUQGLV-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)CCOCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158556223 395049464 /nfs/dbraw/zinc/04/94/64/395049464.db2.gz XKYBDXRDXUQGLV-HZPDHXFCSA-N 2 1 268.445 2.465 20 0 CEADMP COC(=O)c1coc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352535080 292032533 /nfs/dbraw/zinc/03/25/33/292032533.db2.gz MGJHWUZVGNCJNL-UHFFFAOYSA-N 2 1 294.395 2.407 20 0 CEADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCO[C@H]2c2cccnc2)CC1 ZINC000344248933 395052306 /nfs/dbraw/zinc/05/23/06/395052306.db2.gz GYXYAJORXOTYLK-IRXDYDNUSA-N 2 1 289.423 2.374 20 0 CEADMP C[N@H+]1CCC[C@@H]1CCN1CCOC2(CCCC2)C1 ZINC000162287729 395072933 /nfs/dbraw/zinc/07/29/33/395072933.db2.gz ISVUXISLWAXNDA-CQSZACIVSA-N 2 1 252.402 2.116 20 0 CEADMP CN(CCC[N@H+](C)Cc1cncnc1)Cc1ccco1 ZINC000289912927 395090814 /nfs/dbraw/zinc/09/08/14/395090814.db2.gz VBXFZBKGCKOCMR-UHFFFAOYSA-N 2 1 274.368 2.024 20 0 CEADMP CN(CCC[N@@H+](C)Cc1cncnc1)Cc1ccco1 ZINC000289912927 395090816 /nfs/dbraw/zinc/09/08/16/395090816.db2.gz VBXFZBKGCKOCMR-UHFFFAOYSA-N 2 1 274.368 2.024 20 0 CEADMP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427127777 395093316 /nfs/dbraw/zinc/09/33/16/395093316.db2.gz HIIWYDHVGUHZSK-WBVHZDCISA-N 2 1 274.408 2.441 20 0 CEADMP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427127777 395093318 /nfs/dbraw/zinc/09/33/18/395093318.db2.gz HIIWYDHVGUHZSK-WBVHZDCISA-N 2 1 274.408 2.441 20 0 CEADMP CC(=O)Nc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290440319 395103184 /nfs/dbraw/zinc/10/31/84/395103184.db2.gz LTQGKPHFHIJECK-SUMWQHHRSA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290440319 395103191 /nfs/dbraw/zinc/10/31/91/395103191.db2.gz LTQGKPHFHIJECK-SUMWQHHRSA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290440319 395103196 /nfs/dbraw/zinc/10/31/96/395103196.db2.gz LTQGKPHFHIJECK-SUMWQHHRSA-N 2 1 289.423 2.417 20 0 CEADMP CC(=O)Nc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290440319 395103200 /nfs/dbraw/zinc/10/32/00/395103200.db2.gz LTQGKPHFHIJECK-SUMWQHHRSA-N 2 1 289.423 2.417 20 0 CEADMP CC(C)(C)OC1CC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000156466769 395032614 /nfs/dbraw/zinc/03/26/14/395032614.db2.gz SHEHBHFESNULEC-HWOWSKLDSA-N 2 1 298.471 2.159 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000343621691 395042501 /nfs/dbraw/zinc/04/25/01/395042501.db2.gz UTBTYQRUMIBSBF-JHNDHUHGSA-N 2 1 282.472 2.494 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)CC1CCCC1 ZINC000343621693 395042619 /nfs/dbraw/zinc/04/26/19/395042619.db2.gz UTBTYQRUMIBSBF-SRABZTEZSA-N 2 1 282.472 2.494 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000347526237 395125462 /nfs/dbraw/zinc/12/54/62/395125462.db2.gz NVHHRYIMOGVNBG-KGLIPLIRSA-N 2 1 283.460 2.144 20 0 CEADMP CC(C)C[C@@H](CO)[N@@H+](C)Cc1cccc2nccn21 ZINC000290574312 395109111 /nfs/dbraw/zinc/10/91/11/395109111.db2.gz UBKOGGVEUQJGFZ-AWEZNQCLSA-N 2 1 261.369 2.173 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494678501 395135647 /nfs/dbraw/zinc/13/56/47/395135647.db2.gz BQSQWUWODJWVKM-HOTGVXAUSA-N 2 1 295.471 2.289 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1C1CCOCC1 ZINC000348926101 395155412 /nfs/dbraw/zinc/15/54/12/395155412.db2.gz GJSGTSPLRNXMJC-HZPDHXFCSA-N 2 1 266.429 2.362 20 0 CEADMP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000380322757 395167682 /nfs/dbraw/zinc/16/76/82/395167682.db2.gz ONFAQGTVPNJHSM-NVXWUHKLSA-N 2 1 274.408 2.366 20 0 CEADMP Cc1cc(C)cc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000380322757 395167686 /nfs/dbraw/zinc/16/76/86/395167686.db2.gz ONFAQGTVPNJHSM-NVXWUHKLSA-N 2 1 274.408 2.366 20 0 CEADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351593762 395228159 /nfs/dbraw/zinc/22/81/59/395228159.db2.gz OTPOCPNHPBVOGR-BMFZPTHFSA-N 2 1 268.445 2.390 20 0 CEADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351593762 395228163 /nfs/dbraw/zinc/22/81/63/395228163.db2.gz OTPOCPNHPBVOGR-BMFZPTHFSA-N 2 1 268.445 2.390 20 0 CEADMP CC[C@H](C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)OC ZINC000419197140 395254052 /nfs/dbraw/zinc/25/40/52/395254052.db2.gz XPVFDPKLFWPIDJ-HLLBOEOZSA-N 2 1 298.471 2.233 20 0 CEADMP Oc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000433032404 395191605 /nfs/dbraw/zinc/19/16/05/395191605.db2.gz LWGOJVMBNVFKLY-ZNMIVQPWSA-N 2 1 272.392 2.076 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000394870939 395211730 /nfs/dbraw/zinc/21/17/30/395211730.db2.gz YFRACOUTXDFVJW-AWEZNQCLSA-N 2 1 295.471 2.097 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396810607 395219193 /nfs/dbraw/zinc/21/91/93/395219193.db2.gz QPRZTMCIUSJLEQ-KBPBESRZSA-N 2 1 254.418 2.408 20 0 CEADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1C[NH3+] ZINC000397304089 395220586 /nfs/dbraw/zinc/22/05/86/395220586.db2.gz LUUOYMGJHVDRTH-QLFBSQMISA-N 2 1 295.471 2.083 20 0 CEADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1C[NH3+] ZINC000397304089 395220592 /nfs/dbraw/zinc/22/05/92/395220592.db2.gz LUUOYMGJHVDRTH-QLFBSQMISA-N 2 1 295.471 2.083 20 0 CEADMP COc1ccc(OCC[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000397308618 395223173 /nfs/dbraw/zinc/22/31/73/395223173.db2.gz NOSUWDFCQYRMDB-ZNMIVQPWSA-N 2 1 292.423 2.379 20 0 CEADMP CCc1cc(NC[C@H]([NH3+])c2ccccc2CC)nc(C)[nH+]1 ZINC000420271958 395285509 /nfs/dbraw/zinc/28/55/09/395285509.db2.gz HUIRKLJTHHBISZ-INIZCTEOSA-N 2 1 284.407 2.444 20 0 CEADMP CC[NH+](CC)CCCN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420323525 395325845 /nfs/dbraw/zinc/32/58/45/395325845.db2.gz YLJLQOKEYPPCIQ-INIZCTEOSA-N 2 1 267.461 2.040 20 0 CEADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434424758 395297780 /nfs/dbraw/zinc/29/77/80/395297780.db2.gz KLVMWMBTTSFOFN-UKRRQHHQSA-N 2 1 295.471 2.286 20 0 CEADMP COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000420296711 395301722 /nfs/dbraw/zinc/30/17/22/395301722.db2.gz QRAHOJCKBAHMGP-XJKSGUPXSA-N 2 1 290.407 2.268 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1 ZINC000420300967 395306472 /nfs/dbraw/zinc/30/64/72/395306472.db2.gz IEWPTGPRUVBUGE-ZFWWWQNUSA-N 2 1 292.423 2.237 20 0 CEADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2C[C@H](C)OC(C)(C)C2)cc1 ZINC000420300967 395306474 /nfs/dbraw/zinc/30/64/74/395306474.db2.gz IEWPTGPRUVBUGE-ZFWWWQNUSA-N 2 1 292.423 2.237 20 0 CEADMP OCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000420303437 395307677 /nfs/dbraw/zinc/30/76/77/395307677.db2.gz NITVSVNIVYWVPL-YJBOKZPZSA-N 2 1 288.435 2.358 20 0 CEADMP Fc1cc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Cl ZINC000420306804 395311575 /nfs/dbraw/zinc/31/15/75/395311575.db2.gz BMARARDJMWNCRT-VXGBXAGGSA-N 2 1 298.789 2.399 20 0 CEADMP Fc1cc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1Cl ZINC000420306804 395311580 /nfs/dbraw/zinc/31/15/80/395311580.db2.gz BMARARDJMWNCRT-VXGBXAGGSA-N 2 1 298.789 2.399 20 0 CEADMP CC(C)C[C@H]1CCCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420305610 395311729 /nfs/dbraw/zinc/31/17/29/395311729.db2.gz PQVVTPLCHJHDQO-MRXNPFEDSA-N 2 1 267.461 2.182 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc4cccnc4s3)C[C@H]21 ZINC000420311247 395315100 /nfs/dbraw/zinc/31/51/00/395315100.db2.gz QRVWMLAPGHOUER-IJLUTSLNSA-N 2 1 288.420 2.251 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc4cccnc4s3)C[C@H]21 ZINC000420311247 395315104 /nfs/dbraw/zinc/31/51/04/395315104.db2.gz QRVWMLAPGHOUER-IJLUTSLNSA-N 2 1 288.420 2.251 20 0 CEADMP COC(=O)c1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(C)s1 ZINC000420312695 395316532 /nfs/dbraw/zinc/31/65/32/395316532.db2.gz IHKYJHJWDUBDSH-MWLCHTKSSA-N 2 1 282.409 2.012 20 0 CEADMP COC(=O)c1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(C)s1 ZINC000420312695 395316536 /nfs/dbraw/zinc/31/65/36/395316536.db2.gz IHKYJHJWDUBDSH-MWLCHTKSSA-N 2 1 282.409 2.012 20 0 CEADMP CC[C@@H]1C[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C[C@H](C)O1 ZINC000420315322 395319952 /nfs/dbraw/zinc/31/99/52/395319952.db2.gz LREXSGHHGPRVEM-CWRNSKLLSA-N 2 1 292.423 2.237 20 0 CEADMP CC[C@@H]1C[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C[C@H](C)O1 ZINC000420315322 395319958 /nfs/dbraw/zinc/31/99/58/395319958.db2.gz LREXSGHHGPRVEM-CWRNSKLLSA-N 2 1 292.423 2.237 20 0 CEADMP CO[C@@H](CC(C)C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000419292487 395255579 /nfs/dbraw/zinc/25/55/79/395255579.db2.gz SZGIHENCLWGDBO-GJZGRUSLSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@@H](CC(C)C)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000419292487 395255581 /nfs/dbraw/zinc/25/55/81/395255581.db2.gz SZGIHENCLWGDBO-GJZGRUSLSA-N 2 1 254.418 2.075 20 0 CEADMP CO[C@@H](CC(C)C)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000419292487 395255585 /nfs/dbraw/zinc/25/55/85/395255585.db2.gz SZGIHENCLWGDBO-GJZGRUSLSA-N 2 1 254.418 2.075 20 0 CEADMP C[NH+](C)C1(C[NH2+][C@H]2CCC23CCCC3)CCOCC1 ZINC000189124124 395323979 /nfs/dbraw/zinc/32/39/79/395323979.db2.gz PDSCARDWXOSVMH-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP COc1cccc(OCC[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000420321393 395324022 /nfs/dbraw/zinc/32/40/22/395324022.db2.gz ZZKCQIIOWOVJNH-CQSZACIVSA-N 2 1 278.396 2.135 20 0 CEADMP Cc1noc(C)c1CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352923128 395276997 /nfs/dbraw/zinc/27/69/97/395276997.db2.gz GPYCNXHKPRUMEB-YIONKMFJSA-N 2 1 277.412 2.391 20 0 CEADMP Cc1noc(C)c1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352923128 395277000 /nfs/dbraw/zinc/27/70/00/395277000.db2.gz GPYCNXHKPRUMEB-YIONKMFJSA-N 2 1 277.412 2.391 20 0 CEADMP Cc1noc(C)c1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352923128 395277002 /nfs/dbraw/zinc/27/70/02/395277002.db2.gz GPYCNXHKPRUMEB-YIONKMFJSA-N 2 1 277.412 2.391 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000420369305 395355172 /nfs/dbraw/zinc/35/51/72/395355172.db2.gz OIFFJUUHYSAGRH-HSMVNMDESA-N 2 1 293.386 2.130 20 0 CEADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)s1 ZINC000420368015 395355590 /nfs/dbraw/zinc/35/55/90/395355590.db2.gz TVTXLVUCMSHCCZ-GFCCVEGCSA-N 2 1 282.409 2.012 20 0 CEADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC000420373270 395358363 /nfs/dbraw/zinc/35/83/63/395358363.db2.gz RAPMOOONGJEEND-IGCXYCKISA-N 2 1 274.408 2.140 20 0 CEADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420374135 395360328 /nfs/dbraw/zinc/36/03/28/395360328.db2.gz NIYAONQHFXCSMZ-NVXWUHKLSA-N 2 1 296.455 2.287 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCS[C@@H](C)[C@H]2C)CC1 ZINC000191500604 395360531 /nfs/dbraw/zinc/36/05/31/395360531.db2.gz ACNLCTYNUVQZQZ-CVEARBPZSA-N 2 1 299.528 2.228 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420379273 395363513 /nfs/dbraw/zinc/36/35/13/395363513.db2.gz MZEQKTMPEGOLAV-CAOSSQGBSA-N 2 1 295.471 2.083 20 0 CEADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420379273 395363519 /nfs/dbraw/zinc/36/35/19/395363519.db2.gz MZEQKTMPEGOLAV-CAOSSQGBSA-N 2 1 295.471 2.083 20 0 CEADMP CCCNC(=O)[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000435326482 395364012 /nfs/dbraw/zinc/36/40/12/395364012.db2.gz DBCMJTNANMGSMC-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCNC(=O)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000435326482 395364016 /nfs/dbraw/zinc/36/40/16/395364016.db2.gz DBCMJTNANMGSMC-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP CCCNC(=O)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000435326482 395364021 /nfs/dbraw/zinc/36/40/21/395364021.db2.gz DBCMJTNANMGSMC-HOTGVXAUSA-N 2 1 295.471 2.099 20 0 CEADMP COc1ccc2c(c1)OCC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000420381557 395366162 /nfs/dbraw/zinc/36/61/62/395366162.db2.gz XWDDOIASLILSBR-AWEZNQCLSA-N 2 1 290.407 2.279 20 0 CEADMP C[NH2+]CCC[N@H+](C)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000420395273 395369272 /nfs/dbraw/zinc/36/92/72/395369272.db2.gz SVQGEBNQPKSRFJ-UHFFFAOYSA-N 2 1 290.363 2.261 20 0 CEADMP C[NH2+]CCC[N@@H+](C)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000420395273 395369274 /nfs/dbraw/zinc/36/92/74/395369274.db2.gz SVQGEBNQPKSRFJ-UHFFFAOYSA-N 2 1 290.363 2.261 20 0 CEADMP CC[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OC ZINC000412975697 395371676 /nfs/dbraw/zinc/37/16/76/395371676.db2.gz GQEBEIPIQFGGBU-CABCVRRESA-N 2 1 254.418 2.219 20 0 CEADMP C[C@@H]1CC[N@@H+](CCOc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000420416785 395375669 /nfs/dbraw/zinc/37/56/69/395375669.db2.gz VWAGNUWGJXQOOM-OLZOCXBDSA-N 2 1 266.360 2.121 20 0 CEADMP C[N@@H+](CCC(=O)NCC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435626899 395379941 /nfs/dbraw/zinc/37/99/41/395379941.db2.gz PWWWBOLYLDIUJR-INIZCTEOSA-N 2 1 295.471 2.147 20 0 CEADMP C[C@@H]1CC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000441342567 395387569 /nfs/dbraw/zinc/38/75/69/395387569.db2.gz UBGARHJCDWBBBR-PMPSAXMXSA-N 2 1 281.488 2.427 20 0 CEADMP CCC[NH+]1CCC([N@@H+](C)CCO[C@@H]2CCCCO2)CC1 ZINC000193062275 395399771 /nfs/dbraw/zinc/39/97/71/395399771.db2.gz GKPBCBPGDQXXEQ-MRXNPFEDSA-N 2 1 284.444 2.336 20 0 CEADMP CCc1ccccc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420335367 395332658 /nfs/dbraw/zinc/33/26/58/395332658.db2.gz UUNOWQOIAKBXBF-QGZVFWFLSA-N 2 1 288.435 2.436 20 0 CEADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336124 395335076 /nfs/dbraw/zinc/33/50/76/395335076.db2.gz IMJHHDSNDSUQNA-VGWMRTNUSA-N 2 1 295.471 2.001 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000354509954 395335525 /nfs/dbraw/zinc/33/55/25/395335525.db2.gz LPRZZANQNMFILY-QPSCCSFWSA-N 2 1 254.418 2.264 20 0 CEADMP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000354509954 395335528 /nfs/dbraw/zinc/33/55/28/395335528.db2.gz LPRZZANQNMFILY-QPSCCSFWSA-N 2 1 254.418 2.264 20 0 CEADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000354531090 395335659 /nfs/dbraw/zinc/33/56/59/395335659.db2.gz IEEIFYBHCOIRRU-PMPSAXMXSA-N 2 1 295.471 2.238 20 0 CEADMP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000420341838 395336202 /nfs/dbraw/zinc/33/62/02/395336202.db2.gz QJFSHDWZHXBYED-WFASDCNBSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000420341838 395336208 /nfs/dbraw/zinc/33/62/08/395336208.db2.gz QJFSHDWZHXBYED-WFASDCNBSA-N 2 1 293.386 2.214 20 0 CEADMP C[N@@H+](CCOc1ccccc1Br)C1CC([NH3+])C1 ZINC000420343982 395337321 /nfs/dbraw/zinc/33/73/21/395337321.db2.gz XMIAWGMBUHALIW-UHFFFAOYSA-N 2 1 299.212 2.249 20 0 CEADMP C(c1nc(C2CCCC2)no1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343179 395337889 /nfs/dbraw/zinc/33/78/89/395337889.db2.gz RJAYLLHNQKQFEJ-OKILXGFUSA-N 2 1 290.411 2.159 20 0 CEADMP COc1cccc2c(N3CC[N@@H+](C)C[C@H]3C)ccnc12 ZINC000440664236 395341824 /nfs/dbraw/zinc/34/18/24/395341824.db2.gz XPWLKKKFKDANOU-GFCCVEGCSA-N 2 1 271.364 2.384 20 0 CEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cc(F)cc(F)c1 ZINC000420354371 395343002 /nfs/dbraw/zinc/34/30/02/395343002.db2.gz CYWUGISPHGOGPY-NSHDSACASA-N 2 1 254.324 2.396 20 0 CEADMP COc1cccc2c1CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000420354748 395343150 /nfs/dbraw/zinc/34/31/50/395343150.db2.gz DFERXXMMYMEZAI-CYBMUJFWSA-N 2 1 260.381 2.053 20 0 CEADMP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC000354875562 395347056 /nfs/dbraw/zinc/34/70/56/395347056.db2.gz CIOQGPRQEQMVJS-MRXNPFEDSA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[NH+]1CCCCC1 ZINC000354888590 395347243 /nfs/dbraw/zinc/34/72/43/395347243.db2.gz RSPPNVXCOYQGNF-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000420364377 395351528 /nfs/dbraw/zinc/35/15/28/395351528.db2.gz QQSLJBKXXQXIBX-LBPRGKRZSA-N 2 1 264.417 2.139 20 0 CEADMP Cc1nc2sccn2c1C[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420365543 395352525 /nfs/dbraw/zinc/35/25/25/395352525.db2.gz SHFQHVXSTORQOM-GFCCVEGCSA-N 2 1 278.425 2.136 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCOCC2CCC2)CC[N@@H+]1C ZINC000445430946 395463646 /nfs/dbraw/zinc/46/36/46/395463646.db2.gz LVBAOZFWYBGNHE-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1C[C@H]([NH+](C)CCOCC2CCC2)CC[N@H+]1C ZINC000445430946 395463650 /nfs/dbraw/zinc/46/36/50/395463650.db2.gz LVBAOZFWYBGNHE-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1C[C@H]([N@H+](C)CCOCC2CCC2)CC[NH+]1C ZINC000445430946 395463651 /nfs/dbraw/zinc/46/36/51/395463651.db2.gz LVBAOZFWYBGNHE-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP C[C@H]1C[C@H]([N@@H+](C)CCOCC2CCC2)CC[NH+]1C ZINC000445430946 395463654 /nfs/dbraw/zinc/46/36/54/395463654.db2.gz LVBAOZFWYBGNHE-DZGCQCFKSA-N 2 1 254.418 2.218 20 0 CEADMP CC(C)C[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000445406074 395463890 /nfs/dbraw/zinc/46/38/90/395463890.db2.gz VZFMNJWYZQBWJC-ULQDDVLXSA-N 2 1 281.488 2.379 20 0 CEADMP CCC[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420905215 395434235 /nfs/dbraw/zinc/43/42/35/395434235.db2.gz QQOWHRFUYDJSFU-UHFFFAOYSA-N 2 1 262.397 2.361 20 0 CEADMP CCC[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420905215 395434237 /nfs/dbraw/zinc/43/42/37/395434237.db2.gz QQOWHRFUYDJSFU-UHFFFAOYSA-N 2 1 262.397 2.361 20 0 CEADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000444622453 395440435 /nfs/dbraw/zinc/44/04/35/395440435.db2.gz QACTVUUATSZYCU-HUUCEWRRSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3coc4ccccc34)C[C@@H]2C1 ZINC000194542494 395440753 /nfs/dbraw/zinc/44/07/53/395440753.db2.gz BNGWAGLDOVDTAS-BETUJISGSA-N 2 1 256.349 2.426 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3coc4ccccc34)C[C@@H]2C1 ZINC000194542494 395440754 /nfs/dbraw/zinc/44/07/54/395440754.db2.gz BNGWAGLDOVDTAS-BETUJISGSA-N 2 1 256.349 2.426 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](Cc3coc4ccccc34)C[C@@H]2C1 ZINC000194542494 395440758 /nfs/dbraw/zinc/44/07/58/395440758.db2.gz BNGWAGLDOVDTAS-BETUJISGSA-N 2 1 256.349 2.426 20 0 CEADMP CN(CCC[NH+]1CCCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000444624627 395441986 /nfs/dbraw/zinc/44/19/86/395441986.db2.gz FQABLAOIVWROJZ-INIZCTEOSA-N 2 1 265.445 2.031 20 0 CEADMP CCOCC[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000444674775 395444765 /nfs/dbraw/zinc/44/47/65/395444765.db2.gz PZTWBQVEJPNQBW-VYDXJSESSA-N 2 1 298.471 2.017 20 0 CEADMP COC[C@@H]1CCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000448553537 395515889 /nfs/dbraw/zinc/51/58/89/395515889.db2.gz CJLIDFGGTAIDQR-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP COC[C@@H]1CCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000448553537 395515892 /nfs/dbraw/zinc/51/58/92/395515892.db2.gz CJLIDFGGTAIDQR-HNNXBMFYSA-N 2 1 265.401 2.473 20 0 CEADMP Cc1ncc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)n1C ZINC000566496611 395531342 /nfs/dbraw/zinc/53/13/42/395531342.db2.gz KBDQXQFYVUWFKB-CYBMUJFWSA-N 2 1 264.417 2.083 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CC(C)(C)C ZINC000565549709 395476509 /nfs/dbraw/zinc/47/65/09/395476509.db2.gz OUXLPJFJMDQCLF-ZIAGYGMSSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000565549709 395476510 /nfs/dbraw/zinc/47/65/10/395476510.db2.gz OUXLPJFJMDQCLF-ZIAGYGMSSA-N 2 1 256.434 2.200 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000565549709 395476512 /nfs/dbraw/zinc/47/65/12/395476512.db2.gz OUXLPJFJMDQCLF-ZIAGYGMSSA-N 2 1 256.434 2.200 20 0 CEADMP C[NH+](C)CC(C)(C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000565925647 395490965 /nfs/dbraw/zinc/49/09/65/395490965.db2.gz ZTADRHWKYJFQPM-UHFFFAOYSA-N 2 1 297.487 2.345 20 0 CEADMP C[C@@H](NCC[N@@H+]1CC[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000566025528 395496235 /nfs/dbraw/zinc/49/62/35/395496235.db2.gz YYHHKGMKKDDJBO-LSDHHAIUSA-N 2 1 299.422 2.260 20 0 CEADMP C[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000566025528 395496237 /nfs/dbraw/zinc/49/62/37/395496237.db2.gz YYHHKGMKKDDJBO-LSDHHAIUSA-N 2 1 299.422 2.260 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451220348 395595225 /nfs/dbraw/zinc/59/52/25/395595225.db2.gz VLOUYDRYAGWBLS-HNNXBMFYSA-N 2 1 297.487 2.332 20 0 CEADMP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)c(F)c1 ZINC000572990627 395597595 /nfs/dbraw/zinc/59/75/95/395597595.db2.gz RJRKALVHQRFINJ-PZWLIILKSA-N 2 1 254.736 2.348 20 0 CEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451344166 395607999 /nfs/dbraw/zinc/60/79/99/395607999.db2.gz PMJMINUKIVMXNE-TWMKSMIVSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451344166 395608001 /nfs/dbraw/zinc/60/80/01/395608001.db2.gz PMJMINUKIVMXNE-TWMKSMIVSA-N 2 1 280.456 2.486 20 0 CEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451344166 395608003 /nfs/dbraw/zinc/60/80/03/395608003.db2.gz PMJMINUKIVMXNE-TWMKSMIVSA-N 2 1 280.456 2.486 20 0 CEADMP CCC(C)(C)[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000568357910 395555223 /nfs/dbraw/zinc/55/52/23/395555223.db2.gz MAMBGWOQFYPOJI-OAHLLOKOSA-N 2 1 269.477 2.428 20 0 CEADMP CC[C@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000568396751 395557800 /nfs/dbraw/zinc/55/78/00/395557800.db2.gz VDINCFCDHUMPSM-ZBFHGGJFSA-N 2 1 295.471 2.227 20 0 CEADMP CC[C@H](C)[NH+]1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000449626143 395557907 /nfs/dbraw/zinc/55/79/07/395557907.db2.gz DAFNLVMWHGJRPS-ZDUSSCGKSA-N 2 1 296.484 2.121 20 0 CEADMP CC[N@H+](C)C[C@H](O)C[NH+]1CC2(CCCC2)[C@H]1C(C)C ZINC000569000648 395571899 /nfs/dbraw/zinc/57/18/99/395571899.db2.gz LZTTWYIXYSXURJ-LSDHHAIUSA-N 2 1 268.445 2.200 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC2(CCCC2)[C@H]1C(C)C ZINC000569000648 395571901 /nfs/dbraw/zinc/57/19/01/395571901.db2.gz LZTTWYIXYSXURJ-LSDHHAIUSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC2(CCCC2)[C@H]1C(C)C ZINC000569000648 395571902 /nfs/dbraw/zinc/57/19/02/395571902.db2.gz LZTTWYIXYSXURJ-LSDHHAIUSA-N 2 1 268.445 2.200 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC2(CCCC2)[C@H]1C(C)C ZINC000569000648 395571904 /nfs/dbraw/zinc/57/19/04/395571904.db2.gz LZTTWYIXYSXURJ-LSDHHAIUSA-N 2 1 268.445 2.200 20 0 CEADMP c1ccc(-c2noc(CC[NH+]3CCC4(CC[NH2+]4)CC3)n2)cc1 ZINC000572868600 395592028 /nfs/dbraw/zinc/59/20/28/395592028.db2.gz QZLDSAKTXSCMTH-UHFFFAOYSA-N 2 1 298.390 2.107 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1cccc(F)c1 ZINC000574051189 395625731 /nfs/dbraw/zinc/62/57/31/395625731.db2.gz QYPHPQUXLJSBCA-YPMHNXCESA-N 2 1 252.333 2.016 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1cccc(F)c1 ZINC000574051189 395625732 /nfs/dbraw/zinc/62/57/32/395625732.db2.gz QYPHPQUXLJSBCA-YPMHNXCESA-N 2 1 252.333 2.016 20 0 CEADMP Cc1nc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)oc1C ZINC000574694015 395635310 /nfs/dbraw/zinc/63/53/10/395635310.db2.gz GTVRCVYMMNRJSK-HUUCEWRRSA-N 2 1 293.411 2.010 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+](Cc1cccnc1)C1CC1 ZINC000575326444 395659408 /nfs/dbraw/zinc/65/94/08/395659408.db2.gz WBJILFAFZPFKFP-UHFFFAOYSA-N 2 1 270.380 2.412 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1cccnc1)C1CC1 ZINC000575326444 395659409 /nfs/dbraw/zinc/65/94/09/395659409.db2.gz WBJILFAFZPFKFP-UHFFFAOYSA-N 2 1 270.380 2.412 20 0 CEADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nccc2ccccc21 ZINC000647509223 395723712 /nfs/dbraw/zinc/72/37/12/395723712.db2.gz WGBAPZWQALSAKM-STQMWFEESA-N 2 1 255.365 2.404 20 0 CEADMP COCC1(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000647320253 395702068 /nfs/dbraw/zinc/70/20/68/395702068.db2.gz VROLUEAYHHDXOR-MGPQQGTHSA-N 2 1 254.418 2.121 20 0 CEADMP Cc1nc(C)c(C[N@H+](C2CC2)C2CC[NH2+]CC2)s1 ZINC000647483001 395720481 /nfs/dbraw/zinc/72/04/81/395720481.db2.gz QMTHFDDDWKDTDU-UHFFFAOYSA-N 2 1 265.426 2.476 20 0 CEADMP Cc1nc(C)c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)s1 ZINC000647483001 395720482 /nfs/dbraw/zinc/72/04/82/395720482.db2.gz QMTHFDDDWKDTDU-UHFFFAOYSA-N 2 1 265.426 2.476 20 0 CEADMP CC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)nc2)CC[C@@H]1[NH3+] ZINC000647498729 395722449 /nfs/dbraw/zinc/72/24/49/395722449.db2.gz ORODZBBHPSGHKB-HOTGVXAUSA-N 2 1 288.439 2.241 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)CC[C@@H]1[NH3+] ZINC000647498729 395722450 /nfs/dbraw/zinc/72/24/50/395722450.db2.gz ORODZBBHPSGHKB-HOTGVXAUSA-N 2 1 288.439 2.241 20 0 CEADMP CC[C@H]1C[N@@H+](Cc2cn(C)nc2-c2cccnc2)CC[C@H]1[NH3+] ZINC000647498991 395722833 /nfs/dbraw/zinc/72/28/33/395722833.db2.gz WJLVSAPHXOSGFA-XJKSGUPXSA-N 2 1 299.422 2.041 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000647517339 395725387 /nfs/dbraw/zinc/72/53/87/395725387.db2.gz FOEYJNGOYHURQK-MSOLQXFVSA-N 2 1 287.451 2.192 20 0 CEADMP c1cc2c(s1)CCC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000647516250 395725511 /nfs/dbraw/zinc/72/55/11/395725511.db2.gz ZRZHELQDRLOTQE-GFCCVEGCSA-N 2 1 250.411 2.496 20 0 CEADMP c1csc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647542914 395730947 /nfs/dbraw/zinc/73/09/47/395730947.db2.gz DRBPHTSSZYJZIK-OLZOCXBDSA-N 2 1 265.426 2.355 20 0 CEADMP C(c1nc2c(s1)CCC2)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545809 395731795 /nfs/dbraw/zinc/73/17/95/395731795.db2.gz XWNVNZJVAAUMBY-QWHCGFSZSA-N 2 1 291.464 2.453 20 0 CEADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000647829502 395760618 /nfs/dbraw/zinc/76/06/18/395760618.db2.gz QUXSQEYTLJOZPA-RDBSUJKOSA-N 2 1 292.427 2.030 20 0 CEADMP COc1ccccc1C[N@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647875096 395767219 /nfs/dbraw/zinc/76/72/19/395767219.db2.gz VGMJTLNVRPIZBZ-CYBMUJFWSA-N 2 1 260.381 2.269 20 0 CEADMP COc1ccccc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647875096 395767223 /nfs/dbraw/zinc/76/72/23/395767223.db2.gz VGMJTLNVRPIZBZ-CYBMUJFWSA-N 2 1 260.381 2.269 20 0 CEADMP CC(C)[C@H](CO)[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647886073 395769296 /nfs/dbraw/zinc/76/92/96/395769296.db2.gz NIZOZFQBAAUTKG-IRXDYDNUSA-N 2 1 276.424 2.115 20 0 CEADMP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000647890157 395769942 /nfs/dbraw/zinc/76/99/42/395769942.db2.gz VRZMKHJERRSJKB-CYBMUJFWSA-N 2 1 254.443 2.348 20 0 CEADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000647890157 395769944 /nfs/dbraw/zinc/76/99/44/395769944.db2.gz VRZMKHJERRSJKB-CYBMUJFWSA-N 2 1 254.443 2.348 20 0 CEADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCS[C@@H]2CCCC[C@H]21 ZINC000647966525 395789744 /nfs/dbraw/zinc/78/97/44/395789744.db2.gz WYZXIQHQPDIJNJ-RRFJBIMHSA-N 2 1 286.485 2.048 20 0 CEADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@@H]2CCCC[C@H]21 ZINC000647966525 395789747 /nfs/dbraw/zinc/78/97/47/395789747.db2.gz WYZXIQHQPDIJNJ-RRFJBIMHSA-N 2 1 286.485 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000647966525 395789749 /nfs/dbraw/zinc/78/97/49/395789749.db2.gz WYZXIQHQPDIJNJ-RRFJBIMHSA-N 2 1 286.485 2.048 20 0 CEADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000647966525 395789751 /nfs/dbraw/zinc/78/97/51/395789751.db2.gz WYZXIQHQPDIJNJ-RRFJBIMHSA-N 2 1 286.485 2.048 20 0 CEADMP CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976464 395793311 /nfs/dbraw/zinc/79/33/11/395793311.db2.gz OUONAEPJMFSZMN-XHSDSOJGSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@H](c1cccc(F)c1)[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647988432 395796539 /nfs/dbraw/zinc/79/65/39/395796539.db2.gz IYFCQZPMMJNZHM-CABCVRRESA-N 2 1 291.414 2.114 20 0 CEADMP Cc1cnccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000648351594 395892233 /nfs/dbraw/zinc/89/22/33/395892233.db2.gz RPDYVXFVGYUULH-UHFFFAOYSA-N 2 1 268.364 2.107 20 0 CEADMP CCCC[N@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648780658 395982110 /nfs/dbraw/zinc/98/21/10/395982110.db2.gz UKUVHESPDJBDGZ-CQSZACIVSA-N 2 1 294.443 2.245 20 0 CEADMP CCCC[N@@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648780658 395982113 /nfs/dbraw/zinc/98/21/13/395982113.db2.gz UKUVHESPDJBDGZ-CQSZACIVSA-N 2 1 294.443 2.245 20 0 CEADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CCCC[NH+](C)C ZINC000648790391 395984389 /nfs/dbraw/zinc/98/43/89/395984389.db2.gz KVCISVYKGNRERQ-AWEZNQCLSA-N 2 1 294.443 2.197 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3[NH2+]CC3(C)C)c2C1 ZINC000649313018 396119199 /nfs/dbraw/zinc/11/91/99/396119199.db2.gz YMQAIMZQBCBVGY-HNNXBMFYSA-N 2 1 287.407 2.349 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3[NH2+]CC3(C)C)c2C1 ZINC000649313018 396119201 /nfs/dbraw/zinc/11/92/01/396119201.db2.gz YMQAIMZQBCBVGY-HNNXBMFYSA-N 2 1 287.407 2.349 20 0 CEADMP C[N@H+]1CCC[C@@H]1CN1CCC[NH+](Cc2ccccc2)CC1 ZINC000649479083 396164668 /nfs/dbraw/zinc/16/46/68/396164668.db2.gz DSSIOALQUDZWJL-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000649479083 396164671 /nfs/dbraw/zinc/16/46/71/396164671.db2.gz DSSIOALQUDZWJL-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP C[NH+]1CCC[C@@H]1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000649479083 396164674 /nfs/dbraw/zinc/16/46/74/396164674.db2.gz DSSIOALQUDZWJL-GOSISDBHSA-N 2 1 287.451 2.289 20 0 CEADMP Cc1ccccc1C1([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCC1 ZINC000649644892 396220039 /nfs/dbraw/zinc/22/00/39/396220039.db2.gz WPHBMIXIKQSDCW-MRXNPFEDSA-N 2 1 288.435 2.419 20 0 CEADMP Cc1ccccc1C1([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCC1 ZINC000649644892 396220040 /nfs/dbraw/zinc/22/00/40/396220040.db2.gz WPHBMIXIKQSDCW-MRXNPFEDSA-N 2 1 288.435 2.419 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](CCc1ccccc1F)CCO2 ZINC000646106336 396294776 /nfs/dbraw/zinc/29/47/76/396294776.db2.gz VHUWPAQZPVZJCD-UHFFFAOYSA-N 2 1 292.398 2.165 20 0 CEADMP CC(C)C[C@H](C)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106896 396294858 /nfs/dbraw/zinc/29/48/58/396294858.db2.gz YDGBZHZUBONPQZ-HNNXBMFYSA-N 2 1 268.445 2.465 20 0 CEADMP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037140787 292075897 /nfs/dbraw/zinc/07/58/97/292075897.db2.gz PRNULNAYBHEFSF-LBPRGKRZSA-N 2 1 254.418 2.406 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CO1 ZINC000647171176 396427571 /nfs/dbraw/zinc/42/75/71/396427571.db2.gz BTYRSQPCMHHWRK-ZNMIVQPWSA-N 2 1 254.418 2.408 20 0 CEADMP CC(C)Cn1nccc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000647173239 396429219 /nfs/dbraw/zinc/42/92/19/396429219.db2.gz ZMQGYZXEWQZKGV-HNNXBMFYSA-N 2 1 278.444 2.361 20 0 CEADMP CCn1nccc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249269 396450223 /nfs/dbraw/zinc/45/02/23/396450223.db2.gz OUYKLMOJVSOXQW-AEFFLSMTSA-N 2 1 298.434 2.338 20 0 CEADMP CCn1nccc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249269 396450224 /nfs/dbraw/zinc/45/02/24/396450224.db2.gz OUYKLMOJVSOXQW-AEFFLSMTSA-N 2 1 298.434 2.338 20 0 CEADMP CO[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000385894548 400523084 /nfs/dbraw/zinc/52/30/84/400523084.db2.gz DWAJHNJKOXLOTC-JALIKCBVSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H](CNC(=O)CCC(C)(C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000390721758 400541114 /nfs/dbraw/zinc/54/11/14/400541114.db2.gz FXHRQHZDCKJURI-AWEZNQCLSA-N 2 1 291.439 2.141 20 0 CEADMP CC[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000394445530 400548827 /nfs/dbraw/zinc/54/88/27/400548827.db2.gz VDNJERPHUDUNIJ-QZTJIDSGSA-N 2 1 298.434 2.491 20 0 CEADMP CC[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000394445530 400548832 /nfs/dbraw/zinc/54/88/32/400548832.db2.gz VDNJERPHUDUNIJ-QZTJIDSGSA-N 2 1 298.434 2.491 20 0 CEADMP CC(C)C1(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000638137133 400690810 /nfs/dbraw/zinc/69/08/10/400690810.db2.gz GFNVKICQZDXEOU-IAGOWNOFSA-N 2 1 293.499 2.380 20 0 CEADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1c[nH]nc1-c1cccnc1)C2 ZINC000650708867 401000203 /nfs/dbraw/zinc/00/02/03/401000203.db2.gz RJDBRKQOYOCEKZ-RDJZCZTQSA-N 2 1 297.406 2.033 20 0 CEADMP c1ccc2c(c1)CC[C@@H](CCN[C@@H]1CCC[NH2+]C1)N2 ZINC000650720976 401009432 /nfs/dbraw/zinc/00/94/32/401009432.db2.gz KDUTURLODYFVGE-LSDHHAIUSA-N 2 1 259.397 2.145 20 0 CEADMP c1ccc2c(c1)CC[C@@H](CC[NH2+][C@@H]1CCC[NH2+]C1)N2 ZINC000650720976 401009439 /nfs/dbraw/zinc/00/94/39/401009439.db2.gz KDUTURLODYFVGE-LSDHHAIUSA-N 2 1 259.397 2.145 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C)OCC23CCC3)CC[NH2+]1 ZINC000650720531 401009618 /nfs/dbraw/zinc/00/96/18/401009618.db2.gz SGYYZNFLVKSBNC-HZSPNIEDSA-N 2 1 252.402 2.018 20 0 CEADMP CC(C)CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723489 401010866 /nfs/dbraw/zinc/01/08/66/401010866.db2.gz OZVNKZBVTXZGIF-KFWWJZLASA-N 2 1 254.418 2.393 20 0 CEADMP Cc1ncccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723549 401011215 /nfs/dbraw/zinc/01/12/15/401011215.db2.gz QDVNKAPBGFBECE-BBWFWOEESA-N 2 1 289.423 2.251 20 0 CEADMP Cc1csc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000650723631 401011908 /nfs/dbraw/zinc/01/19/08/401011908.db2.gz RCNLKMNTQNMKAU-BFHYXJOUSA-N 2 1 295.452 2.312 20 0 CEADMP Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650722150 401012097 /nfs/dbraw/zinc/01/20/97/401012097.db2.gz MJOWVSIHNDBHRL-CFVMTHIKSA-N 2 1 295.452 2.312 20 0 CEADMP C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1c[nH+]ccc1N ZINC000650747598 401024785 /nfs/dbraw/zinc/02/47/85/401024785.db2.gz DCXSSFHZBGTUNI-AAEUAGOBSA-N 2 1 268.364 2.182 20 0 CEADMP C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)[C@@H]1CCC[NH2+]1 ZINC000650752426 401029312 /nfs/dbraw/zinc/02/93/12/401029312.db2.gz QTWGYQGCWJKLCO-OJLVUWQFSA-N 2 1 275.396 2.032 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000650756018 401033586 /nfs/dbraw/zinc/03/35/86/401033586.db2.gz RSVYGNJAZNSIHS-BEFAXECRSA-N 3 1 297.446 2.454 20 0 CEADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N ZINC000650756018 401033593 /nfs/dbraw/zinc/03/35/93/401033593.db2.gz RSVYGNJAZNSIHS-BEFAXECRSA-N 2 1 297.446 2.454 20 0 CEADMP CC(C)C[N@H+](C)CCCNc1[nH+]cnc2[nH]ccc21 ZINC000651363859 401321621 /nfs/dbraw/zinc/32/16/21/401321621.db2.gz KKQUCBBAMNFGTI-UHFFFAOYSA-N 2 1 261.373 2.299 20 0 CEADMP CC(C)C[N@@H+](C)CCCNc1[nH+]cnc2[nH]ccc21 ZINC000651363859 401321626 /nfs/dbraw/zinc/32/16/26/401321626.db2.gz KKQUCBBAMNFGTI-UHFFFAOYSA-N 2 1 261.373 2.299 20 0 CEADMP C[C@@H]1CCCCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000651707128 401375295 /nfs/dbraw/zinc/37/52/95/401375295.db2.gz ZVRAFFXTEBDSBT-PMPSAXMXSA-N 2 1 295.471 2.132 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651808173 401395640 /nfs/dbraw/zinc/39/56/40/401395640.db2.gz IEVFWOZHEVHAPH-HNNXBMFYSA-N 2 1 299.422 2.087 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651808173 401395643 /nfs/dbraw/zinc/39/56/43/401395643.db2.gz IEVFWOZHEVHAPH-HNNXBMFYSA-N 2 1 299.422 2.087 20 0 CEADMP C[NH+]1CCC([NH2+]CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000652038072 401438268 /nfs/dbraw/zinc/43/82/68/401438268.db2.gz IMVKAJOGWFVISV-UHFFFAOYSA-N 2 1 298.333 2.234 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC[N@@H+]1C ZINC000652278054 401478132 /nfs/dbraw/zinc/47/81/32/401478132.db2.gz ABENXUNNTZMWPE-SVGFKBNWSA-N 2 1 289.423 2.374 20 0 CEADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC[N@H+]1C ZINC000652278054 401478136 /nfs/dbraw/zinc/47/81/36/401478136.db2.gz ABENXUNNTZMWPE-SVGFKBNWSA-N 2 1 289.423 2.374 20 0 CEADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCCCF)C2)C1 ZINC000652349180 401491432 /nfs/dbraw/zinc/49/14/32/401491432.db2.gz DXSXKNGXRJGRBT-ZNMIVQPWSA-N 2 1 272.408 2.345 20 0 CEADMP Cc1cnc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000652350228 401491593 /nfs/dbraw/zinc/49/15/93/401491593.db2.gz MWVYUAGKFDQXSM-AJNGGQMLSA-N 2 1 293.411 2.262 20 0 CEADMP Cc1cnc([C@H](C)[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000652350229 401491809 /nfs/dbraw/zinc/49/18/09/401491809.db2.gz MWVYUAGKFDQXSM-BYNSBNAKSA-N 2 1 293.411 2.262 20 0 CEADMP C[C@H](c1ccncc1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349446 401491823 /nfs/dbraw/zinc/49/18/23/401491823.db2.gz OXUJQDVZFSVHSN-XBVQOTNRSA-N 2 1 289.423 2.361 20 0 CEADMP CC(C)(C[NH2+]Cc1cncs1)C[NH+]1CCCC1 ZINC000360165634 155233045 /nfs/dbraw/zinc/23/30/45/155233045.db2.gz MPLLUCOAYLEAEX-UHFFFAOYSA-N 2 1 253.415 2.355 20 0 CEADMP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1(C)C ZINC000336787242 286110507 /nfs/dbraw/zinc/11/05/07/286110507.db2.gz DOSMVHUBGLKUDE-KBPBESRZSA-N 2 1 252.402 2.016 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN[C@H](C)c1cc(C)sc1C ZINC000310779608 289278849 /nfs/dbraw/zinc/27/88/49/289278849.db2.gz RGSNNTXWPHLKFR-YPMHNXCESA-N 2 1 270.442 2.328 20 0 CEADMP Cc1cc([C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)[nH]n1 ZINC000360605457 155335994 /nfs/dbraw/zinc/33/59/94/155335994.db2.gz WSMHUVDQYIHZSF-HUUCEWRRSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)[nH]n1 ZINC000360605457 155335997 /nfs/dbraw/zinc/33/59/97/155335997.db2.gz WSMHUVDQYIHZSF-HUUCEWRRSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)[nH]n1 ZINC000360605457 155335999 /nfs/dbraw/zinc/33/59/99/155335999.db2.gz WSMHUVDQYIHZSF-HUUCEWRRSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n[nH]1 ZINC000360605457 155336002 /nfs/dbraw/zinc/33/60/02/155336002.db2.gz WSMHUVDQYIHZSF-HUUCEWRRSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)n[nH]1 ZINC000360605457 155336004 /nfs/dbraw/zinc/33/60/04/155336004.db2.gz WSMHUVDQYIHZSF-HUUCEWRRSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n[nH]1 ZINC000360605457 155336008 /nfs/dbraw/zinc/33/60/08/155336008.db2.gz WSMHUVDQYIHZSF-HUUCEWRRSA-N 2 1 276.428 2.382 20 0 CEADMP Cc1cc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n[nH]1 ZINC000360605457 155336010 /nfs/dbraw/zinc/33/60/10/155336010.db2.gz WSMHUVDQYIHZSF-HUUCEWRRSA-N 2 1 276.428 2.382 20 0 CEADMP FC(F)COCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000189425496 153093400 /nfs/dbraw/zinc/09/34/00/153093400.db2.gz HPCZDZDRUSMRLI-CYBMUJFWSA-N 2 1 276.371 2.076 20 0 CEADMP FC(F)COCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000189425496 153093405 /nfs/dbraw/zinc/09/34/05/153093405.db2.gz HPCZDZDRUSMRLI-CYBMUJFWSA-N 2 1 276.371 2.076 20 0 CEADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000191406823 153172096 /nfs/dbraw/zinc/17/20/96/153172096.db2.gz ORBYCVHTRPRQTB-INIZCTEOSA-N 2 1 267.461 2.134 20 0 CEADMP CCC[C@@H]1CN(c2cc[nH+]cc2C)CC[N@H+]1CCOC ZINC000192734148 153214113 /nfs/dbraw/zinc/21/41/13/153214113.db2.gz GMHKARHLDQZZOT-OAHLLOKOSA-N 2 1 277.412 2.327 20 0 CEADMP Cc1ccccc1[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192858022 153219394 /nfs/dbraw/zinc/21/93/94/153219394.db2.gz RYJNETRPIWOQNL-UCMJJCQDSA-N 2 1 274.408 2.243 20 0 CEADMP CCC[C@H](C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000228189164 153359389 /nfs/dbraw/zinc/35/93/89/153359389.db2.gz YZVHXSPDGMOEJO-JYJNAYRXSA-N 2 1 295.471 2.003 20 0 CEADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000346694668 154293923 /nfs/dbraw/zinc/29/39/23/154293923.db2.gz VMGJVLYKVBMKTP-UKRRQHHQSA-N 2 1 298.390 2.438 20 0 CEADMP CCOc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1OC ZINC000347086389 154300225 /nfs/dbraw/zinc/30/02/25/154300225.db2.gz DVOGUYMEVNAKTA-CQSZACIVSA-N 2 1 278.396 2.265 20 0 CEADMP CCOc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1OC ZINC000347086389 154300228 /nfs/dbraw/zinc/30/02/28/154300228.db2.gz DVOGUYMEVNAKTA-CQSZACIVSA-N 2 1 278.396 2.265 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2NC(C)=O)C1 ZINC000347084459 154301086 /nfs/dbraw/zinc/30/10/86/154301086.db2.gz ALKRWTSUTUWGSK-AWEZNQCLSA-N 2 1 275.396 2.076 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2NC(C)=O)C1 ZINC000347084459 154301090 /nfs/dbraw/zinc/30/10/90/154301090.db2.gz ALKRWTSUTUWGSK-AWEZNQCLSA-N 2 1 275.396 2.076 20 0 CEADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000347086022 154301459 /nfs/dbraw/zinc/30/14/59/154301459.db2.gz BKCQOWNCWIDUEL-GFCCVEGCSA-N 2 1 270.323 2.459 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)s1 ZINC000352735519 154329832 /nfs/dbraw/zinc/32/98/32/154329832.db2.gz HUPXJHBZUBRVJG-GXTWGEPZSA-N 2 1 295.452 2.252 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCSCC2)s1 ZINC000352769443 154330943 /nfs/dbraw/zinc/33/09/43/154330943.db2.gz NDMYBIIGCCCWPB-UHFFFAOYSA-N 2 1 271.455 2.190 20 0 CEADMP CC[NH+](CC)[C@H](C[NH2+]CC1(C)COC1)CC(C)C ZINC000352779963 154339170 /nfs/dbraw/zinc/33/91/70/154339170.db2.gz MZCHQNXKINOXCI-AWEZNQCLSA-N 2 1 256.434 2.369 20 0 CEADMP [NH3+]CCOCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000357080747 154376723 /nfs/dbraw/zinc/37/67/23/154376723.db2.gz VADAYFYOHSIDKV-CQSZACIVSA-N 2 1 280.437 2.076 20 0 CEADMP CC[N@@H+](CCOCC[NH3+])[C@H](C)c1ccc(F)cc1 ZINC000357082109 154377286 /nfs/dbraw/zinc/37/72/86/154377286.db2.gz OQMGTHRPVXTAFW-GFCCVEGCSA-N 2 1 254.349 2.184 20 0 CEADMP Cc1cccc([C@H]2CCC[N@H+]2CCOCC[NH3+])c1C ZINC000357102028 154378817 /nfs/dbraw/zinc/37/88/17/154378817.db2.gz HQVJJFQCTRZGFU-MRXNPFEDSA-N 2 1 262.397 2.416 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCCC2(C1)CCCCCC2 ZINC000357082481 154379417 /nfs/dbraw/zinc/37/94/17/154379417.db2.gz XGHILTPDIDOQKU-UHFFFAOYSA-N 2 1 254.418 2.398 20 0 CEADMP Cc1ccc([C@H]2CCC[N@H+]2CCOCC[NH3+])s1 ZINC000357082904 154379952 /nfs/dbraw/zinc/37/99/52/154379952.db2.gz PPOLTYSMPQSRHS-GFCCVEGCSA-N 2 1 254.399 2.169 20 0 CEADMP COc1ccc(COCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000357862306 154392307 /nfs/dbraw/zinc/39/23/07/154392307.db2.gz HBBOEOXZGGYWKB-WMLDXEAASA-N 2 1 292.423 2.142 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCCCC2)[C@H](C)C1 ZINC000359579072 155062318 /nfs/dbraw/zinc/06/23/18/155062318.db2.gz DHVXPZVKNMKIKD-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)N(C)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000359719192 155120467 /nfs/dbraw/zinc/12/04/67/155120467.db2.gz LEDQAZHSLNCBKV-GOEBONIOSA-N 2 1 290.455 2.499 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000359719192 155120469 /nfs/dbraw/zinc/12/04/69/155120469.db2.gz LEDQAZHSLNCBKV-GOEBONIOSA-N 2 1 290.455 2.499 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000359719192 155120470 /nfs/dbraw/zinc/12/04/70/155120470.db2.gz LEDQAZHSLNCBKV-GOEBONIOSA-N 2 1 290.455 2.499 20 0 CEADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000359719192 155120473 /nfs/dbraw/zinc/12/04/73/155120473.db2.gz LEDQAZHSLNCBKV-GOEBONIOSA-N 2 1 290.455 2.499 20 0 CEADMP CC[C@@H](C)[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)OC ZINC000362977145 155987729 /nfs/dbraw/zinc/98/77/29/155987729.db2.gz PAWQDKGGXLURPN-IUODEOHRSA-N 2 1 254.418 2.264 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)n21 ZINC000363312681 156021464 /nfs/dbraw/zinc/02/14/64/156021464.db2.gz AYUYMFCBCDHXRA-GJZGRUSLSA-N 2 1 284.407 2.359 20 0 CEADMP Cc1cccc2ncc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)n21 ZINC000363312681 156021468 /nfs/dbraw/zinc/02/14/68/156021468.db2.gz AYUYMFCBCDHXRA-GJZGRUSLSA-N 2 1 284.407 2.359 20 0 CEADMP CC(C)CCOCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363559609 156029413 /nfs/dbraw/zinc/02/94/13/156029413.db2.gz GICMQGHPKBYUTH-ZACQAIPSSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)CCOCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363559609 156029418 /nfs/dbraw/zinc/02/94/18/156029418.db2.gz GICMQGHPKBYUTH-ZACQAIPSSA-N 2 1 280.456 2.465 20 0 CEADMP CC(C)CCOCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363559609 156029419 /nfs/dbraw/zinc/02/94/19/156029419.db2.gz GICMQGHPKBYUTH-ZACQAIPSSA-N 2 1 280.456 2.465 20 0 CEADMP Cc1cncc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000366776010 156079972 /nfs/dbraw/zinc/07/99/72/156079972.db2.gz XLHUTSOQXQJACL-IXDOHACOSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1cncc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000366776010 156079975 /nfs/dbraw/zinc/07/99/75/156079975.db2.gz XLHUTSOQXQJACL-IXDOHACOSA-N 2 1 289.423 2.074 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000366964396 156109745 /nfs/dbraw/zinc/10/97/45/156109745.db2.gz ZXMKYVQDLCXFOV-HUUCEWRRSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000366964396 156109746 /nfs/dbraw/zinc/10/97/46/156109746.db2.gz ZXMKYVQDLCXFOV-HUUCEWRRSA-N 2 1 263.385 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000367063752 156124936 /nfs/dbraw/zinc/12/49/36/156124936.db2.gz ZEVGOWAWSPXLTI-INIZCTEOSA-N 2 1 277.412 2.474 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000367063752 156124938 /nfs/dbraw/zinc/12/49/38/156124938.db2.gz ZEVGOWAWSPXLTI-INIZCTEOSA-N 2 1 277.412 2.474 20 0 CEADMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@@H]1CCOC1)CC2)C1CC1 ZINC000367311801 156165313 /nfs/dbraw/zinc/16/53/13/156165313.db2.gz ZWTXGGDEJRCGMM-LSDHHAIUSA-N 2 1 278.440 2.219 20 0 CEADMP C(C[N@H+]1CCC[C@]12CCOC2)C[NH+]1CCCCC1 ZINC000367457179 156190293 /nfs/dbraw/zinc/19/02/93/156190293.db2.gz FJAFOTAZZGDAJF-OAHLLOKOSA-N 2 1 252.402 2.117 20 0 CEADMP Cc1n[nH]cc1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367547810 156202126 /nfs/dbraw/zinc/20/21/26/156202126.db2.gz AOTJCUCREWWCHO-BZUAXINKSA-N 2 1 276.428 2.113 20 0 CEADMP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000367611133 156214507 /nfs/dbraw/zinc/21/45/07/156214507.db2.gz AHOQDQYNSUVPPU-ARFHVFGLSA-N 2 1 288.439 2.110 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2O)[C@@H]2CCC[C@H]21 ZINC000367625547 156217181 /nfs/dbraw/zinc/21/71/81/156217181.db2.gz YRCOYGUKCBGPLP-HRCADAONSA-N 2 1 274.408 2.397 20 0 CEADMP C[NH+](C)CCN[C@H]1C[C@@H](C2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000367665262 156222557 /nfs/dbraw/zinc/22/25/57/156222557.db2.gz KQUNGGHEUGENKH-ROUUACIJSA-N 2 1 287.451 2.191 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOCC[C@@H]1C ZINC000367668855 156223805 /nfs/dbraw/zinc/22/38/05/156223805.db2.gz YNSJHFDKRKJSNE-ZDUSSCGKSA-N 2 1 251.374 2.083 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOCC[C@@H]1C ZINC000367668855 156223808 /nfs/dbraw/zinc/22/38/08/156223808.db2.gz YNSJHFDKRKJSNE-ZDUSSCGKSA-N 2 1 251.374 2.083 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+]C2CC(c3ccccn3)C2)CC1 ZINC000368024372 156273025 /nfs/dbraw/zinc/27/30/25/156273025.db2.gz UAPWONVRJZFGNA-UHFFFAOYSA-N 2 1 257.381 2.179 20 0 CEADMP Cc1cccnc1C1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000368268779 156312396 /nfs/dbraw/zinc/31/23/96/156312396.db2.gz ZRTOBJCDWDUYEZ-CABCVRRESA-N 2 1 273.424 2.494 20 0 CEADMP COCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368608490 156378623 /nfs/dbraw/zinc/37/86/23/156378623.db2.gz PGCNJLNMNGAVBC-RBSFLKMASA-N 2 1 254.418 2.266 20 0 CEADMP C[C@H]([NH2+]CC1(O)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374879427 157022101 /nfs/dbraw/zinc/02/21/01/157022101.db2.gz TXLSKAXSZUBIMZ-DOTOQJQBSA-N 2 1 288.435 2.402 20 0 CEADMP CC1(C[NH2+][C@H]2CCC[N@@H+](C3CCCCC3)C2)COC1 ZINC000375738137 157133538 /nfs/dbraw/zinc/13/35/38/157133538.db2.gz KQLVYOZXECQPJR-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP CC1(C[NH2+][C@H]2CCC[N@H+](C3CCCCC3)C2)COC1 ZINC000375738137 157133541 /nfs/dbraw/zinc/13/35/41/157133541.db2.gz KQLVYOZXECQPJR-AWEZNQCLSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCCCCO)[C@@H]2CCC[C@@H]21 ZINC000375852373 157151958 /nfs/dbraw/zinc/15/19/58/157151958.db2.gz NUMGJRFOQHGIMQ-KKUMJFAQSA-N 2 1 254.418 2.002 20 0 CEADMP CCCCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375899060 157160395 /nfs/dbraw/zinc/16/03/95/157160395.db2.gz AIPCMOCYNPIMHY-MRXNPFEDSA-N 2 1 267.461 2.277 20 0 CEADMP Cc1nccn1CCCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000376097897 157187566 /nfs/dbraw/zinc/18/75/66/157187566.db2.gz OUZRPSHCDGISKK-MRXNPFEDSA-N 2 1 278.444 2.388 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000376097897 157187570 /nfs/dbraw/zinc/18/75/70/157187570.db2.gz OUZRPSHCDGISKK-MRXNPFEDSA-N 3 1 278.444 2.388 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000376097897 157187573 /nfs/dbraw/zinc/18/75/73/157187573.db2.gz OUZRPSHCDGISKK-MRXNPFEDSA-N 3 1 278.444 2.388 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCCn3ccnc3)C2)CC1 ZINC000376388226 157214557 /nfs/dbraw/zinc/21/45/57/157214557.db2.gz SKDNXWQKAQTEMR-UHFFFAOYSA-N 2 1 276.428 2.081 20 0 CEADMP C[N@@H+]1CCCC12CC[NH+](CCOC1CCC1)CC2 ZINC000376513198 157237222 /nfs/dbraw/zinc/23/72/22/157237222.db2.gz DDVHMAZQSJMQQL-UHFFFAOYSA-N 2 1 252.402 2.116 20 0 CEADMP C[N@H+]1CCCC12CC[NH+](CCOC1CCC1)CC2 ZINC000376513198 157237226 /nfs/dbraw/zinc/23/72/26/157237226.db2.gz DDVHMAZQSJMQQL-UHFFFAOYSA-N 2 1 252.402 2.116 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000169001357 165035470 /nfs/dbraw/zinc/03/54/70/165035470.db2.gz MSSHMEFQQGOSEH-QDIHITRGSA-N 2 1 294.439 2.325 20 0 CEADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000169001357 165035474 /nfs/dbraw/zinc/03/54/74/165035474.db2.gz MSSHMEFQQGOSEH-QDIHITRGSA-N 2 1 294.439 2.325 20 0 CEADMP CC(C)c1noc(CCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000178514775 165245496 /nfs/dbraw/zinc/24/54/96/165245496.db2.gz GMOAVSIQSURAQF-HZSPNIEDSA-N 2 1 294.443 2.444 20 0 CEADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000178593691 165249121 /nfs/dbraw/zinc/24/91/21/165249121.db2.gz HWXNMCLQSVAVEX-GXTWGEPZSA-N 2 1 280.387 2.449 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284340877 196034188 /nfs/dbraw/zinc/03/41/88/196034188.db2.gz LMZLPHOGWQKNKC-UHFFFAOYSA-N 2 1 273.384 2.069 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1CCC(F)(F)F)CC[NH2+]CC2 ZINC000335280546 287236920 /nfs/dbraw/zinc/23/69/20/287236920.db2.gz VGFNSUINCDGTGL-SNVBAGLBSA-N 2 1 250.308 2.403 20 0 CEADMP COc1ccc(OC)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037408202 173183780 /nfs/dbraw/zinc/18/37/80/173183780.db2.gz FEUALFWOBJLGFG-ZDUSSCGKSA-N 2 1 290.407 2.278 20 0 CEADMP COc1ccc(OC)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037408202 173183782 /nfs/dbraw/zinc/18/37/82/173183782.db2.gz FEUALFWOBJLGFG-ZDUSSCGKSA-N 2 1 290.407 2.278 20 0 CEADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)[C@@H]1C[NH3+] ZINC000070177738 414767409 /nfs/dbraw/zinc/76/74/09/414767409.db2.gz JBHIROHWBIIOGN-SWLSCSKDSA-N 2 1 293.386 2.214 20 0 CEADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)[C@@H]1C[NH3+] ZINC000070177738 414767417 /nfs/dbraw/zinc/76/74/17/414767417.db2.gz JBHIROHWBIIOGN-SWLSCSKDSA-N 2 1 293.386 2.214 20 0 CEADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000070356988 414772478 /nfs/dbraw/zinc/77/24/78/414772478.db2.gz DINJDUHFMGLRFJ-QWHCGFSZSA-N 2 1 252.402 2.018 20 0 CEADMP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404353508 414781105 /nfs/dbraw/zinc/78/11/05/414781105.db2.gz KMAYBGOVZRJDEB-QMTHXVAHSA-N 2 1 251.374 2.241 20 0 CEADMP C[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CCCC[C@H]2C)[C@@H]1CC[NH3+] ZINC000404370605 414781701 /nfs/dbraw/zinc/78/17/01/414781701.db2.gz QWIDXXHOQHIRPQ-LVQVYYBASA-N 2 1 295.471 2.131 20 0 CEADMP C[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CCCC[C@H]2C)[C@@H]1CC[NH3+] ZINC000404370605 414781706 /nfs/dbraw/zinc/78/17/06/414781706.db2.gz QWIDXXHOQHIRPQ-LVQVYYBASA-N 2 1 295.471 2.131 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000121026387 414784474 /nfs/dbraw/zinc/78/44/74/414784474.db2.gz HNDQYKSWGYBHIG-JYJNAYRXSA-N 2 1 278.440 2.408 20 0 CEADMP C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000121184997 414786505 /nfs/dbraw/zinc/78/65/05/414786505.db2.gz LJOUVJNGBAWSDW-TUUVXOQKSA-N 2 1 276.424 2.018 20 0 CEADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000401019146 414749476 /nfs/dbraw/zinc/74/94/76/414749476.db2.gz JYYVYQGRBULNNI-HZMVEIRTSA-N 3 1 281.488 2.331 20 0 CEADMP CC(C)n1nccc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000405212916 414792891 /nfs/dbraw/zinc/79/28/91/414792891.db2.gz IVCWTBCAOOTTKT-ZFWWWQNUSA-N 2 1 264.417 2.413 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1C[NH3+] ZINC000405302513 414794569 /nfs/dbraw/zinc/79/45/69/414794569.db2.gz ONOQXUPNPGZZDZ-IAGOWNOFSA-N 2 1 274.408 2.360 20 0 CEADMP CCO[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000405310688 414794728 /nfs/dbraw/zinc/79/47/28/414794728.db2.gz SZGXFDWMTZYLPG-CZUORRHYSA-N 2 1 274.364 2.228 20 0 CEADMP CC(C)CNC(=O)CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660541090 414864665 /nfs/dbraw/zinc/86/46/65/414864665.db2.gz HXJJNRSNRHPQQX-XYPWUTKMSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CNC(=O)CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000660541090 414864669 /nfs/dbraw/zinc/86/46/69/414864669.db2.gz HXJJNRSNRHPQQX-XYPWUTKMSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)CNC(=O)CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000660541090 414864673 /nfs/dbraw/zinc/86/46/73/414864673.db2.gz HXJJNRSNRHPQQX-XYPWUTKMSA-N 2 1 295.471 2.096 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCO[C@H](C)C1 ZINC000420944011 414807529 /nfs/dbraw/zinc/80/75/29/414807529.db2.gz XESNLACKSXWQNC-TZMCWYRMSA-N 2 1 251.374 2.081 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCO[C@H](C)C1 ZINC000420944011 414807535 /nfs/dbraw/zinc/80/75/35/414807535.db2.gz XESNLACKSXWQNC-TZMCWYRMSA-N 2 1 251.374 2.081 20 0 CEADMP CC1CC[NH+](CCC[NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657296900 414839213 /nfs/dbraw/zinc/83/92/13/414839213.db2.gz XNPWXCFCRALUKH-UHFFFAOYSA-N 2 1 276.428 2.041 20 0 CEADMP COCC1(C[NH2+]C(C)(C)C[NH+]2CCCC2)CCC1 ZINC000308634103 414854272 /nfs/dbraw/zinc/85/42/72/414854272.db2.gz KWPGCZWKCUMKQI-UHFFFAOYSA-N 2 1 254.418 2.267 20 0 CEADMP CO[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C1CCC1 ZINC000660638757 414910524 /nfs/dbraw/zinc/91/05/24/414910524.db2.gz CLZMXJLEUKZYHM-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)C1CCC1 ZINC000660638757 414910530 /nfs/dbraw/zinc/91/05/30/414910530.db2.gz CLZMXJLEUKZYHM-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)C1CCC1 ZINC000660638757 414910536 /nfs/dbraw/zinc/91/05/36/414910536.db2.gz CLZMXJLEUKZYHM-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CC(C)c1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000663315418 414911195 /nfs/dbraw/zinc/91/11/95/414911195.db2.gz GYSWVNMPWODJAY-QGZVFWFLSA-N 2 1 276.424 2.356 20 0 CEADMP CO[C@@H](C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C1CCC1 ZINC000660659955 414919529 /nfs/dbraw/zinc/91/95/29/414919529.db2.gz CPZSRVLELLENTE-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@@H](C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)C1CCC1 ZINC000660659955 414919534 /nfs/dbraw/zinc/91/95/34/414919534.db2.gz CPZSRVLELLENTE-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP CO[C@@H](C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)C1CCC1 ZINC000660659955 414919539 /nfs/dbraw/zinc/91/95/39/414919539.db2.gz CPZSRVLELLENTE-JKSUJKDBSA-N 2 1 266.429 2.219 20 0 CEADMP c1nc2n(c1C[NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CCC2 ZINC000663344945 414921020 /nfs/dbraw/zinc/92/10/20/414921020.db2.gz ZNUWCDOSRLHOBI-HNNXBMFYSA-N 2 1 288.439 2.041 20 0 CEADMP c1nc2n(c1C[NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CCC2 ZINC000663344945 414921024 /nfs/dbraw/zinc/92/10/24/414921024.db2.gz ZNUWCDOSRLHOBI-HNNXBMFYSA-N 2 1 288.439 2.041 20 0 CEADMP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663343689 414921426 /nfs/dbraw/zinc/92/14/26/414921426.db2.gz BCTQXVBRLAPKCC-HNNXBMFYSA-N 2 1 274.412 2.195 20 0 CEADMP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663343689 414921430 /nfs/dbraw/zinc/92/14/30/414921430.db2.gz BCTQXVBRLAPKCC-HNNXBMFYSA-N 2 1 274.412 2.195 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCCCn1cccn1)C2 ZINC000660658187 414921560 /nfs/dbraw/zinc/92/15/60/414921560.db2.gz DIVAMPZDQDEDPR-KRWDZBQOSA-N 2 1 290.455 2.471 20 0 CEADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCCCn1cccn1)C2 ZINC000660658187 414921565 /nfs/dbraw/zinc/92/15/65/414921565.db2.gz DIVAMPZDQDEDPR-KRWDZBQOSA-N 2 1 290.455 2.471 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+](CC3CC3)C2)C[N@H+]1C1CC1 ZINC000663345615 414923387 /nfs/dbraw/zinc/92/33/87/414923387.db2.gz LYJHLRVYAVUMLU-DJIMGWMZSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C[NH+]1C1CC1 ZINC000663345615 414923392 /nfs/dbraw/zinc/92/33/92/414923392.db2.gz LYJHLRVYAVUMLU-DJIMGWMZSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)C[NH+]1C1CC1 ZINC000663345615 414923400 /nfs/dbraw/zinc/92/34/00/414923400.db2.gz LYJHLRVYAVUMLU-DJIMGWMZSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CN1C1CC1 ZINC000663345615 414923405 /nfs/dbraw/zinc/92/34/05/414923405.db2.gz LYJHLRVYAVUMLU-DJIMGWMZSA-N 2 1 291.483 2.323 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CN1C1CC1 ZINC000663345615 414923410 /nfs/dbraw/zinc/92/34/10/414923410.db2.gz LYJHLRVYAVUMLU-DJIMGWMZSA-N 2 1 291.483 2.323 20 0 CEADMP C[N@H+](C[C@H](O)C[NH2+]C1CCC(C2CCC2)CC1)C1CC1 ZINC000663371191 414931093 /nfs/dbraw/zinc/93/10/93/414931093.db2.gz YPVJCMXBKXHVOW-VMBOVVBDSA-N 2 1 280.456 2.390 20 0 CEADMP C[N@@H+](C[C@H](O)C[NH2+]C1CCC(C2CCC2)CC1)C1CC1 ZINC000663371191 414931098 /nfs/dbraw/zinc/93/10/98/414931098.db2.gz YPVJCMXBKXHVOW-VMBOVVBDSA-N 2 1 280.456 2.390 20 0 CEADMP COC[C@H](C)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679668 414933440 /nfs/dbraw/zinc/93/34/40/414933440.db2.gz RVGZNFFHPOCRKO-AWEZNQCLSA-N 2 1 262.397 2.276 20 0 CEADMP C[C@H](Cc1[nH]cc[nH+]1)OCc1cccc2c1CC[NH2+]C2 ZINC000663380735 414937422 /nfs/dbraw/zinc/93/74/22/414937422.db2.gz WLPOVWPAGWYEDI-GFCCVEGCSA-N 2 1 271.364 2.203 20 0 CEADMP COc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000314917024 414869075 /nfs/dbraw/zinc/86/90/75/414869075.db2.gz OZZDYOQADDUNJM-YOEHRIQHSA-N 2 1 290.407 2.135 20 0 CEADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000663498393 414971553 /nfs/dbraw/zinc/97/15/53/414971553.db2.gz BMIZXQIVEWAFND-CHWSQXEVSA-N 2 1 283.441 2.458 20 0 CEADMP C[NH+](C)C1CCC([NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000657493376 414972340 /nfs/dbraw/zinc/97/23/40/414972340.db2.gz CNOJEGZRFLMCNM-UHFFFAOYSA-N 2 1 299.422 2.230 20 0 CEADMP CC[N@H+]1CCCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000660790108 414974632 /nfs/dbraw/zinc/97/46/32/414974632.db2.gz VDWZTABQMFLEHJ-BRWVUGGUSA-N 2 1 281.488 2.380 20 0 CEADMP C[C@@H]1C[C@@H](C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CC[NH2+]1 ZINC000663514194 414979424 /nfs/dbraw/zinc/97/94/24/414979424.db2.gz OFFTZSWWORGQME-TWMKSMIVSA-N 2 1 278.440 2.267 20 0 CEADMP C[C@@H]1c2cccn2CC[N@@H+]1CCCc1cncn1C ZINC000653484371 415009861 /nfs/dbraw/zinc/00/98/61/415009861.db2.gz DRDGTKVQCCMSCA-CYBMUJFWSA-N 2 1 258.369 2.231 20 0 CEADMP OC/C=C/C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657593112 415015045 /nfs/dbraw/zinc/01/50/45/415015045.db2.gz DEEVKRWCZWXSHB-LAQIPUCWSA-N 2 1 286.419 2.322 20 0 CEADMP OC/C=C/C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657593112 415015049 /nfs/dbraw/zinc/01/50/49/415015049.db2.gz DEEVKRWCZWXSHB-LAQIPUCWSA-N 2 1 286.419 2.322 20 0 CEADMP c1cc2c(cc[nH+]c2N[C@H]2CCc3[nH+]ccn3C2)[nH]1 ZINC000663453414 414957401 /nfs/dbraw/zinc/95/74/01/414957401.db2.gz ZQMYNALGGLIDKP-JTQLQIEISA-N 2 1 253.309 2.186 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000663469540 414965295 /nfs/dbraw/zinc/96/52/95/414965295.db2.gz QEGQGXXKUILXAA-QGPMSJSTSA-N 2 1 291.483 2.181 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469540 414965303 /nfs/dbraw/zinc/96/53/03/414965303.db2.gz QEGQGXXKUILXAA-QGPMSJSTSA-N 2 1 291.483 2.181 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469540 414965304 /nfs/dbraw/zinc/96/53/04/414965304.db2.gz QEGQGXXKUILXAA-QGPMSJSTSA-N 2 1 291.483 2.181 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663469540 414965308 /nfs/dbraw/zinc/96/53/08/414965308.db2.gz QEGQGXXKUILXAA-QGPMSJSTSA-N 2 1 291.483 2.181 20 0 CEADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469540 414965312 /nfs/dbraw/zinc/96/53/12/414965312.db2.gz QEGQGXXKUILXAA-QGPMSJSTSA-N 2 1 291.483 2.181 20 0 CEADMP C[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnccn1 ZINC000663469826 414966419 /nfs/dbraw/zinc/96/64/19/414966419.db2.gz RAAZQFWEWSDMJM-HIFRSBDPSA-N 2 1 274.412 2.249 20 0 CEADMP C[C@@H](CCCCO)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663469094 414966651 /nfs/dbraw/zinc/96/66/51/414966651.db2.gz OLVDTNFQVUEQKK-GOEBONIOSA-N 2 1 268.445 2.249 20 0 CEADMP Cc1nccn1CCCC[N@@H+](C1CC1)C1(CO)CCC1 ZINC000660773311 414966920 /nfs/dbraw/zinc/96/69/20/414966920.db2.gz UKGXNOCNAQOORO-UHFFFAOYSA-N 2 1 277.412 2.351 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+](C1CC1)C1(CO)CCC1 ZINC000660773311 414966925 /nfs/dbraw/zinc/96/69/25/414966925.db2.gz UKGXNOCNAQOORO-UHFFFAOYSA-N 2 1 277.412 2.351 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+](C1CC1)C1(CO)CCC1 ZINC000660773311 414966928 /nfs/dbraw/zinc/96/69/28/414966928.db2.gz UKGXNOCNAQOORO-UHFFFAOYSA-N 2 1 277.412 2.351 20 0 CEADMP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497058 414969368 /nfs/dbraw/zinc/96/93/68/414969368.db2.gz AOWRARILJJMKHT-ARWYELJZSA-N 2 1 292.398 2.115 20 0 CEADMP CC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H](C)Cc1ccsc1 ZINC000653625782 415058993 /nfs/dbraw/zinc/05/89/93/415058993.db2.gz RJTPVPNBDDCXPT-UKRRQHHQSA-N 2 1 284.469 2.314 20 0 CEADMP CC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H](C)Cc1ccsc1 ZINC000653625782 415058997 /nfs/dbraw/zinc/05/89/97/415058997.db2.gz RJTPVPNBDDCXPT-UKRRQHHQSA-N 2 1 284.469 2.314 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)[C@H](C)Cc1ccsc1 ZINC000653625782 415059000 /nfs/dbraw/zinc/05/90/00/415059000.db2.gz RJTPVPNBDDCXPT-UKRRQHHQSA-N 2 1 284.469 2.314 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)[C@H](C)Cc1ccsc1 ZINC000653625782 415059003 /nfs/dbraw/zinc/05/90/03/415059003.db2.gz RJTPVPNBDDCXPT-UKRRQHHQSA-N 2 1 284.469 2.314 20 0 CEADMP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)CN(C)CC ZINC000653556772 415030874 /nfs/dbraw/zinc/03/08/74/415030874.db2.gz ITQVOAKHGJXLNX-DOTOQJQBSA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)CN(C)CC ZINC000653556772 415030878 /nfs/dbraw/zinc/03/08/78/415030878.db2.gz ITQVOAKHGJXLNX-DOTOQJQBSA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000653556772 415030884 /nfs/dbraw/zinc/03/08/84/415030884.db2.gz ITQVOAKHGJXLNX-DOTOQJQBSA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000653556772 415030888 /nfs/dbraw/zinc/03/08/88/415030888.db2.gz ITQVOAKHGJXLNX-DOTOQJQBSA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@@H]1c2ccccc2CC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000653556772 415030892 /nfs/dbraw/zinc/03/08/92/415030892.db2.gz ITQVOAKHGJXLNX-DOTOQJQBSA-N 2 1 276.424 2.308 20 0 CEADMP CC[C@@H]1c2ccccc2CC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000653556772 415030898 /nfs/dbraw/zinc/03/08/98/415030898.db2.gz ITQVOAKHGJXLNX-DOTOQJQBSA-N 2 1 276.424 2.308 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000660926161 415038820 /nfs/dbraw/zinc/03/88/20/415038820.db2.gz MHMJCJXROGBESQ-OCCSQVGLSA-N 2 1 292.414 2.491 20 0 CEADMP CCCCC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000653570987 415039367 /nfs/dbraw/zinc/03/93/67/415039367.db2.gz NTDHGBLZGCNQSX-HUUCEWRRSA-N 2 1 256.434 2.344 20 0 CEADMP COC[C@H](CC1CCOCC1)[NH2+]CCCn1cc[nH+]c1C ZINC000657844953 415103427 /nfs/dbraw/zinc/10/34/27/415103427.db2.gz KJSQNIOTQXNUBL-INIZCTEOSA-N 2 1 295.427 2.003 20 0 CEADMP CCOC1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000657892979 415116996 /nfs/dbraw/zinc/11/69/96/415116996.db2.gz YLINZPLXKCLXQH-LQULJDIASA-N 2 1 254.418 2.406 20 0 CEADMP CCOC1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000657892979 415116997 /nfs/dbraw/zinc/11/69/97/415116997.db2.gz YLINZPLXKCLXQH-LQULJDIASA-N 2 1 254.418 2.406 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCn3nccc32)C1 ZINC000658036113 415167717 /nfs/dbraw/zinc/16/77/17/415167717.db2.gz UQVQCEDNMGOAQN-KBPBESRZSA-N 2 1 262.401 2.040 20 0 CEADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC(CF)(CF)C2)C1 ZINC000658035595 415168144 /nfs/dbraw/zinc/16/81/44/415168144.db2.gz PAFSNVXPQLRURB-LBPRGKRZSA-N 2 1 260.372 2.396 20 0 CEADMP COC[C@@H](CC1CCOCC1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000658033867 415168513 /nfs/dbraw/zinc/16/85/13/415168513.db2.gz BKQVYKFUCMYYNT-DLBZAZTESA-N 2 1 298.471 2.140 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000658091938 415206740 /nfs/dbraw/zinc/20/67/40/415206740.db2.gz OAIJCJAKIMWBCK-MRXNPFEDSA-N 2 1 279.472 2.323 20 0 CEADMP CCC(CC)(C[NH3+])C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000044762202 175246259 /nfs/dbraw/zinc/24/62/59/175246259.db2.gz BLFQCDMAYICPKP-AWEZNQCLSA-N 2 1 283.460 2.132 20 0 CEADMP c1cc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)co1 ZINC000658198572 415255855 /nfs/dbraw/zinc/25/58/55/415255855.db2.gz KNKQBJZEWCQXMV-INIZCTEOSA-N 2 1 278.396 2.055 20 0 CEADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000658229733 415263126 /nfs/dbraw/zinc/26/31/26/415263126.db2.gz TZGRFZHEXFAULL-IIDMSEBBSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000658229733 415263132 /nfs/dbraw/zinc/26/31/32/415263132.db2.gz TZGRFZHEXFAULL-IIDMSEBBSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229733 415263139 /nfs/dbraw/zinc/26/31/39/415263139.db2.gz TZGRFZHEXFAULL-IIDMSEBBSA-N 2 1 291.483 2.466 20 0 CEADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229733 415263146 /nfs/dbraw/zinc/26/31/46/415263146.db2.gz TZGRFZHEXFAULL-IIDMSEBBSA-N 2 1 291.483 2.466 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661443231 415270548 /nfs/dbraw/zinc/27/05/48/415270548.db2.gz MYZIIOIMUAKXJY-GDBMZVCRSA-N 2 1 279.428 2.455 20 0 CEADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661443231 415270556 /nfs/dbraw/zinc/27/05/56/415270556.db2.gz MYZIIOIMUAKXJY-GDBMZVCRSA-N 2 1 279.428 2.455 20 0 CEADMP CC1(C)[C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1(F)F ZINC000658282005 415297050 /nfs/dbraw/zinc/29/70/50/415297050.db2.gz SMOUFLPGZFPFNL-STQMWFEESA-N 2 1 288.382 2.121 20 0 CEADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)cc1 ZINC000658349895 415330125 /nfs/dbraw/zinc/33/01/25/415330125.db2.gz LQWGJIFBVCNGEA-DJSGYFEHSA-N 2 1 271.364 2.355 20 0 CEADMP CO[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)C ZINC000655718950 415407422 /nfs/dbraw/zinc/40/74/22/415407422.db2.gz QUIHBYACDNYHCV-HZPDHXFCSA-N 2 1 298.471 2.281 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655731468 415419868 /nfs/dbraw/zinc/41/98/68/415419868.db2.gz YEEPMFFLVSKATB-CYBMUJFWSA-N 2 1 287.411 2.150 20 0 CEADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000655738493 415427315 /nfs/dbraw/zinc/42/73/15/415427315.db2.gz VUWIVUUZVQGZJA-JKSUJKDBSA-N 2 1 296.455 2.177 20 0 CEADMP C(C[C@H]1CCCCO1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655752577 415432851 /nfs/dbraw/zinc/43/28/51/415432851.db2.gz ZWKCYNDQSBTLRU-SJORKVTESA-N 2 1 296.455 2.179 20 0 CEADMP CC1(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655764494 415444070 /nfs/dbraw/zinc/44/40/70/415444070.db2.gz IYCFNSRNIMGMDY-OAHLLOKOSA-N 2 1 266.429 2.410 20 0 CEADMP C[NH+](C)CCC[C@H]1CN(c2cc[nH+]cc2Cl)CCO1 ZINC000664657666 415445493 /nfs/dbraw/zinc/44/54/93/415445493.db2.gz MQCBWQVNNBYVDH-LBPRGKRZSA-N 2 1 283.803 2.282 20 0 CEADMP CN(C)c1nc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc[nH+]1 ZINC000664679493 415452318 /nfs/dbraw/zinc/45/23/18/415452318.db2.gz RKHSCTRVDLITQS-AWEZNQCLSA-N 2 1 289.427 2.077 20 0 CEADMP CN(C)c1nc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc[nH+]1 ZINC000664679493 415452323 /nfs/dbraw/zinc/45/23/23/415452323.db2.gz RKHSCTRVDLITQS-AWEZNQCLSA-N 2 1 289.427 2.077 20 0 CEADMP CC1(C)C[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000655774662 415455299 /nfs/dbraw/zinc/45/52/99/415455299.db2.gz DALBMRHIQNTPMB-HOCLYGCPSA-N 2 1 296.455 2.035 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000655778490 415459835 /nfs/dbraw/zinc/45/98/35/415459835.db2.gz MUSHYYBNPVJFJS-XRGAULLZSA-N 2 1 264.413 2.018 20 0 CEADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CC[C@H]2CCC[N@H+]2C)cn1 ZINC000661776712 415460235 /nfs/dbraw/zinc/46/02/35/415460235.db2.gz BKNWVNNITHDSLM-GVDBMIGSSA-N 2 1 290.455 2.205 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000655785257 415463896 /nfs/dbraw/zinc/46/38/96/415463896.db2.gz IUFHYGPGGXBGBF-HOTGVXAUSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H](COCC1CC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655789894 415469883 /nfs/dbraw/zinc/46/98/83/415469883.db2.gz AIBKAAHJVKYPMT-PBHICJAKSA-N 2 1 296.455 2.035 20 0 CEADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccnc3ccccc23)CC1 ZINC000655791298 415472293 /nfs/dbraw/zinc/47/22/93/415472293.db2.gz LQJMTZYQNIBBGE-UHFFFAOYSA-N 2 1 299.418 2.171 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C ZINC000655793668 415472959 /nfs/dbraw/zinc/47/29/59/415472959.db2.gz ZDQHFCMGHREMPY-ZDUSSCGKSA-N 2 1 264.417 2.414 20 0 CEADMP Cc1ncncc1[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000655793668 415472966 /nfs/dbraw/zinc/47/29/66/415472966.db2.gz ZDQHFCMGHREMPY-ZDUSSCGKSA-N 2 1 264.417 2.414 20 0 CEADMP C1C[C@@H]2C[C@H](N[C@H]3CCC[NH+]4CCCC[C@H]34)CC[N@H+]2C1 ZINC000655849039 415515208 /nfs/dbraw/zinc/51/52/08/415515208.db2.gz PDAHXXMDCXEHKB-WCXIOVBPSA-N 2 1 277.456 2.220 20 0 CEADMP C1C[C@@H]2C[C@H](N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC[NH+]2C1 ZINC000655849039 415515212 /nfs/dbraw/zinc/51/52/12/415515212.db2.gz PDAHXXMDCXEHKB-WCXIOVBPSA-N 2 1 277.456 2.220 20 0 CEADMP C1C[C@@H]2C[C@H](N[C@H]3CCC[N@H+]4CCCC[C@H]34)CC[NH+]2C1 ZINC000655849039 415515218 /nfs/dbraw/zinc/51/52/18/415515218.db2.gz PDAHXXMDCXEHKB-WCXIOVBPSA-N 2 1 277.456 2.220 20 0 CEADMP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCCN4CCCC[C@H]34)CC[N@@H+]2C1 ZINC000655849039 415515224 /nfs/dbraw/zinc/51/52/24/415515224.db2.gz PDAHXXMDCXEHKB-WCXIOVBPSA-N 3 1 277.456 2.220 20 0 CEADMP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCCN4CCCC[C@H]34)CC[N@H+]2C1 ZINC000655849039 415515228 /nfs/dbraw/zinc/51/52/28/415515228.db2.gz PDAHXXMDCXEHKB-WCXIOVBPSA-N 3 1 277.456 2.220 20 0 CEADMP C[N@H+](CCc1noc2ccccc21)CC(C)(C)C[NH3+] ZINC000655938093 415559927 /nfs/dbraw/zinc/55/99/27/415559927.db2.gz LWHBZIDEKMSVPC-UHFFFAOYSA-N 2 1 261.369 2.287 20 0 CEADMP C[N@@H+](CCc1noc2ccccc21)CC(C)(C)C[NH3+] ZINC000655938093 415559931 /nfs/dbraw/zinc/55/99/31/415559931.db2.gz LWHBZIDEKMSVPC-UHFFFAOYSA-N 2 1 261.369 2.287 20 0 CEADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@@H]1CCOC1 ZINC000665254056 415650925 /nfs/dbraw/zinc/65/09/25/415650925.db2.gz GVQHANXILFBMHO-ODVANORSSA-N 2 1 292.398 2.286 20 0 CEADMP CN(C)C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000656199122 415633026 /nfs/dbraw/zinc/63/30/26/415633026.db2.gz OODOPELTAWEUDG-XHSDSOJGSA-N 2 1 279.403 2.288 20 0 CEADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCO[C@H]2CC2(F)F)c2ccccc21 ZINC000665244590 415646392 /nfs/dbraw/zinc/64/63/92/415646392.db2.gz RGQMEMWIQMBQEO-UPJWGTAASA-N 2 1 268.307 2.145 20 0 CEADMP Cc1ccc(CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662152887 415657630 /nfs/dbraw/zinc/65/76/30/415657630.db2.gz ITZDQNNUYGPWFN-GOSISDBHSA-N 2 1 288.435 2.069 20 0 CEADMP Cc1ccc(CC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662152887 415657636 /nfs/dbraw/zinc/65/76/36/415657636.db2.gz ITZDQNNUYGPWFN-GOSISDBHSA-N 2 1 288.435 2.069 20 0 CEADMP CC[C@H]([NH2+][C@@H]1COc2cc(F)ccc2C1)[C@@H]1CCC[NH2+]1 ZINC000665266651 415659251 /nfs/dbraw/zinc/65/92/51/415659251.db2.gz GUZBNKMQFFLJAT-KKUMJFAQSA-N 2 1 278.371 2.249 20 0 CEADMP [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665266546 415659836 /nfs/dbraw/zinc/65/98/36/415659836.db2.gz DTPXMWBTZJOQFT-SQWLQELKSA-N 2 1 265.445 2.110 20 0 CEADMP CCC1([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCOCC1 ZINC000656256127 415663631 /nfs/dbraw/zinc/66/36/31/415663631.db2.gz ULWGYWKYCRBTOB-INIZCTEOSA-N 2 1 296.455 2.179 20 0 CEADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000665275002 415666933 /nfs/dbraw/zinc/66/69/33/415666933.db2.gz AJUMCNWVKOJZSC-VHDGCEQUSA-N 2 1 254.418 2.312 20 0 CEADMP C[NH+](C)CCOc1ccc(C[NH+]2CC3(CC3(F)F)C2)cc1 ZINC000656266460 415667576 /nfs/dbraw/zinc/66/75/76/415667576.db2.gz XUDJMHLOWFYQBD-UHFFFAOYSA-N 2 1 296.361 2.468 20 0 CEADMP C[NH2+]C[C@@H](C)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000665295588 415683768 /nfs/dbraw/zinc/68/37/68/415683768.db2.gz GGVHVHXHGLXJLS-OLZOCXBDSA-N 2 1 272.396 2.439 20 0 CEADMP C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000665299101 415686531 /nfs/dbraw/zinc/68/65/31/415686531.db2.gz GFVKEORWVPBLDU-USXIJHARSA-N 3 1 279.472 2.229 20 0 CEADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2cc(C)cc(C)c2)C1 ZINC000071147476 176043571 /nfs/dbraw/zinc/04/35/71/176043571.db2.gz SBQPQJGKHIUJQY-OAHLLOKOSA-N 2 1 262.397 2.224 20 0 CEADMP CN(c1ccccc1)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000662221554 415693733 /nfs/dbraw/zinc/69/37/33/415693733.db2.gz ASKXNRFTNXKAOR-KRWDZBQOSA-N 2 1 273.424 2.197 20 0 CEADMP CC(C)(C)C[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254210 415720090 /nfs/dbraw/zinc/72/00/90/415720090.db2.gz OEWAKVUXNPLNTF-KGLIPLIRSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256344 415722933 /nfs/dbraw/zinc/72/29/33/415722933.db2.gz VEDBWONWYDMRDN-KGLIPLIRSA-N 2 1 252.402 2.020 20 0 CEADMP CC(C)(C)C[N@@H+](CCO)Cc1cccc2c1CC[NH2+]C2 ZINC000662257598 415723493 /nfs/dbraw/zinc/72/34/93/415723493.db2.gz ONSFJYVAWWCQKC-UHFFFAOYSA-N 2 1 276.424 2.173 20 0 CEADMP CCc1nnc([C@@H](C)[NH+]2CCC(C[NH+](CC)CC)CC2)[nH]1 ZINC000659842462 415723490 /nfs/dbraw/zinc/72/34/90/415723490.db2.gz AALRHNKALPRRPX-CYBMUJFWSA-N 2 1 293.459 2.482 20 0 CEADMP CCC[N@@H+](C[C@@H](OC)C1CCC1)C1CC[NH2+]CC1 ZINC000662263008 415728323 /nfs/dbraw/zinc/72/83/23/415728323.db2.gz JZYRGUWQIUOCID-OAHLLOKOSA-N 2 1 254.418 2.266 20 0 CEADMP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CCO1 ZINC000662267167 415731278 /nfs/dbraw/zinc/73/12/78/415731278.db2.gz SSVOKDZKFLOZLD-OIISXLGYSA-N 2 1 274.408 2.230 20 0 CEADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CCO1 ZINC000662267167 415731282 /nfs/dbraw/zinc/73/12/82/415731282.db2.gz SSVOKDZKFLOZLD-OIISXLGYSA-N 2 1 274.408 2.230 20 0 CEADMP CCc1nnc([C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)[nH]1 ZINC000659854300 415733786 /nfs/dbraw/zinc/73/37/86/415733786.db2.gz ZDRZNZIGJHXLNN-LBPRGKRZSA-N 2 1 279.432 2.092 20 0 CEADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](OC)C2CCCC2)C1 ZINC000662236604 415700798 /nfs/dbraw/zinc/70/07/98/415700798.db2.gz FYLGZFMHVDBMJQ-ZFWWWQNUSA-N 2 1 254.418 2.123 20 0 CEADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](OC)C2CCCC2)C1 ZINC000662236600 415702760 /nfs/dbraw/zinc/70/27/60/415702760.db2.gz FYLGZFMHVDBMJQ-HIFRSBDPSA-N 2 1 254.418 2.123 20 0 CEADMP CCc1ccc(C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248716 415711166 /nfs/dbraw/zinc/71/11/66/415711166.db2.gz BSAZQWQNZTUASY-INIZCTEOSA-N 2 1 274.408 2.202 20 0 CEADMP CO[C@H](C[N@@H+](C)CC[C@H]([NH3+])C(C)C)C1CCCC1 ZINC000662247788 415711649 /nfs/dbraw/zinc/71/16/49/415711649.db2.gz KXZMTNFOGANEEQ-LSDHHAIUSA-N 2 1 256.434 2.497 20 0 CEADMP Cc1nocc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662272968 415740480 /nfs/dbraw/zinc/74/04/80/415740480.db2.gz JCIYLQLSGHNJEP-KBPBESRZSA-N 2 1 263.385 2.195 20 0 CEADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662279111 415746399 /nfs/dbraw/zinc/74/63/99/415746399.db2.gz QJAWJDHZWALVQC-DZGCQCFKSA-N 2 1 266.429 2.408 20 0 CEADMP CCC(C)(C)NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295165 415760046 /nfs/dbraw/zinc/76/00/46/415760046.db2.gz FQHSHIVZGUDCEH-OAHLLOKOSA-N 2 1 295.471 2.003 20 0 CEADMP OCC[C@@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000662299684 415760847 /nfs/dbraw/zinc/76/08/47/415760847.db2.gz VIWHTRRUWDACOI-HNNXBMFYSA-N 2 1 254.418 2.003 20 0 CEADMP COc1ccc2c(c1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000662312676 415772461 /nfs/dbraw/zinc/77/24/61/415772461.db2.gz YUANAWUIYFJUET-AWEZNQCLSA-N 2 1 274.408 2.443 20 0 CEADMP CC(C)CCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321810 415777167 /nfs/dbraw/zinc/77/71/67/415777167.db2.gz DMVPFQDAYMFTJB-OAHLLOKOSA-N 2 1 256.434 2.465 20 0 CEADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC2CC=CC2)CC1 ZINC000659911067 415777389 /nfs/dbraw/zinc/77/73/89/415777389.db2.gz VISAPCOJOIBPSX-KRWDZBQOSA-N 2 1 277.456 2.055 20 0 CEADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1ccc2c(c1)OC(F)(F)O2 ZINC000662282517 415750001 /nfs/dbraw/zinc/75/00/01/415750001.db2.gz BBVJDXKZJDVSHH-PWSUYJOCSA-N 2 1 298.333 2.362 20 0 CEADMP Cc1nocc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292705 415757064 /nfs/dbraw/zinc/75/70/64/415757064.db2.gz HULPOVWIYZUGIF-CQSZACIVSA-N 2 1 263.385 2.195 20 0 CEADMP CCc1noc([C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662294443 415758509 /nfs/dbraw/zinc/75/85/09/415758509.db2.gz WCUVBAKWNQPIJY-OCCSQVGLSA-N 2 1 292.427 2.405 20 0 CEADMP O[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](n3ccnc3)C2)C1 ZINC000659882248 415759326 /nfs/dbraw/zinc/75/93/26/415759326.db2.gz FRUPOEFSEVKWIQ-QLFBSQMISA-N 2 1 263.385 2.071 20 0 CEADMP CC(C)COCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296130 415759530 /nfs/dbraw/zinc/75/95/30/415759530.db2.gz XYHAYAOWDNEPMB-INIZCTEOSA-N 2 1 268.445 2.371 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccs2)CCO1 ZINC000662324664 415781772 /nfs/dbraw/zinc/78/17/72/415781772.db2.gz AGLZOXDZTRBVLG-CYBMUJFWSA-N 2 1 268.426 2.291 20 0 CEADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccs2)CCO1 ZINC000662324664 415781777 /nfs/dbraw/zinc/78/17/77/415781777.db2.gz AGLZOXDZTRBVLG-CYBMUJFWSA-N 2 1 268.426 2.291 20 0 CEADMP COc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662325829 415782171 /nfs/dbraw/zinc/78/21/71/415782171.db2.gz QMBSAMKLJJQENG-KRWDZBQOSA-N 2 1 292.423 2.238 20 0 CEADMP COc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662325829 415782175 /nfs/dbraw/zinc/78/21/75/415782175.db2.gz QMBSAMKLJJQENG-KRWDZBQOSA-N 2 1 292.423 2.238 20 0 CEADMP CC(C)=CCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325769 415782934 /nfs/dbraw/zinc/78/29/34/415782934.db2.gz JSBSRUWXHUFZBV-OAHLLOKOSA-N 2 1 254.418 2.385 20 0 CEADMP c1cc(C[NH+]2CCCCC2)ccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000662517478 415872019 /nfs/dbraw/zinc/87/20/19/415872019.db2.gz GMASRDBKHLJHSO-OALUTQOASA-N 2 1 299.462 2.324 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000662619867 415906747 /nfs/dbraw/zinc/90/67/47/415906747.db2.gz PYCJDKWKKZCQEW-LSDHHAIUSA-N 2 1 295.471 2.273 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000662678256 415927819 /nfs/dbraw/zinc/92/78/19/415927819.db2.gz CHMHEZLVTNOTGT-XHSDSOJGSA-N 2 1 297.487 2.377 20 0 CEADMP CCc1nn(C)cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656781963 415857928 /nfs/dbraw/zinc/85/79/28/415857928.db2.gz AZBWLDWHICWXAY-OAHLLOKOSA-N 2 1 290.455 2.194 20 0 CEADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000662678253 415928177 /nfs/dbraw/zinc/92/81/77/415928177.db2.gz CHMHEZLVTNOTGT-JYJNAYRXSA-N 2 1 297.487 2.377 20 0 CEADMP COc1cc(C[NH2+]CC2([NH3+])CCCC2)cc(OC)c1 ZINC000656788610 415862747 /nfs/dbraw/zinc/86/27/47/415862747.db2.gz VFKMHQPFCOVICN-UHFFFAOYSA-N 2 1 264.369 2.065 20 0 CEADMP C[C@]1(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)CC[NH2+]C1 ZINC000656791866 415864137 /nfs/dbraw/zinc/86/41/37/415864137.db2.gz LNKFOHLFJHTAQT-JYJNAYRXSA-N 2 1 266.429 2.267 20 0 CEADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2[NH2+]CCC2(C)C)C1 ZINC000662695298 415932845 /nfs/dbraw/zinc/93/28/45/415932845.db2.gz JMKUZLBQTCEDMZ-KGLIPLIRSA-N 2 1 295.471 2.001 20 0 CEADMP CCn1cncc1C[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000417941629 227247230 /nfs/dbraw/zinc/24/72/30/227247230.db2.gz MQRHMWFIQUINOL-UHFFFAOYSA-N 2 1 299.422 2.365 20 0 CEADMP C[C@@H]1C[C@@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1C ZINC000354403138 297210368 /nfs/dbraw/zinc/21/03/68/297210368.db2.gz ZJBBDLOCBBVXIZ-ILXRZTDVSA-N 2 1 297.487 2.199 20 0 CEADMP C[C@@H](C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C(C)(C)C ZINC000666977373 419499713 /nfs/dbraw/zinc/49/97/13/419499713.db2.gz DXYAMPLIJNPTRC-FHERZECASA-N 2 1 281.488 2.475 20 0 CEADMP C[N@@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)C[C@@H](O)C[NH3+] ZINC000666987683 419502941 /nfs/dbraw/zinc/50/29/41/419502941.db2.gz YURJDBUCAIQRHJ-ZDUSSCGKSA-N 2 1 294.782 2.351 20 0 CEADMP C[N@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)C[C@@H](O)C[NH3+] ZINC000666987683 419502949 /nfs/dbraw/zinc/50/29/49/419502949.db2.gz YURJDBUCAIQRHJ-ZDUSSCGKSA-N 2 1 294.782 2.351 20 0 CEADMP CCN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000666993868 419506300 /nfs/dbraw/zinc/50/63/00/419506300.db2.gz PNBXPSOXMQNNHY-OAHLLOKOSA-N 2 1 288.439 2.302 20 0 CEADMP Cc1nn(C)c2ncc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cc12 ZINC000666998307 419508816 /nfs/dbraw/zinc/50/88/16/419508816.db2.gz NHCOWQQNFRUCAQ-AWEZNQCLSA-N 2 1 299.422 2.041 20 0 CEADMP COc1cccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1OC ZINC000666998479 419509031 /nfs/dbraw/zinc/50/90/31/419509031.db2.gz WHICBCJPLZAMAH-AWEZNQCLSA-N 2 1 290.407 2.468 20 0 CEADMP CC[N@@H+]1CC[C@H](N(C)Cc2c[nH+]c(C)n2C)C[C@H]1C ZINC000667664688 419762694 /nfs/dbraw/zinc/76/26/94/419762694.db2.gz QSGJLHJIVZRTCO-OCCSQVGLSA-N 2 1 264.417 2.033 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)Cc2c[nH+]c(C)n2C)C[C@H]1C ZINC000667664688 419762702 /nfs/dbraw/zinc/76/27/02/419762702.db2.gz QSGJLHJIVZRTCO-OCCSQVGLSA-N 2 1 264.417 2.033 20 0 CEADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](OC(F)F)C2)CC[NH2+]1 ZINC000666654577 419764087 /nfs/dbraw/zinc/76/40/87/419764087.db2.gz YACFMDXKDCPBGQ-IJLUTSLNSA-N 2 1 262.344 2.078 20 0 CEADMP Cc1[nH+]cc(CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1C ZINC000667672104 419769449 /nfs/dbraw/zinc/76/94/49/419769449.db2.gz KVLDFVZQFHJFDP-KRWDZBQOSA-N 2 1 298.434 2.435 20 0 CEADMP Cc1[nH+]cc(CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1C ZINC000667672104 419769458 /nfs/dbraw/zinc/76/94/58/419769458.db2.gz KVLDFVZQFHJFDP-KRWDZBQOSA-N 2 1 298.434 2.435 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000517556770 260191752 /nfs/dbraw/zinc/19/17/52/260191752.db2.gz ORUHIIHJXWRBSD-KCQAQPDRSA-N 2 1 282.453 2.492 20 0 CEADMP CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000517556770 260191753 /nfs/dbraw/zinc/19/17/53/260191753.db2.gz ORUHIIHJXWRBSD-KCQAQPDRSA-N 2 1 282.453 2.492 20 0 CEADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCCOCC1 ZINC000359989408 260951851 /nfs/dbraw/zinc/95/18/51/260951851.db2.gz XVLXPSKQVOKKPN-HUUCEWRRSA-N 2 1 254.418 2.410 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccncc2F)C1 ZINC000449037893 261120119 /nfs/dbraw/zinc/12/01/19/261120119.db2.gz PXYSSOGSFJLYLI-OAHLLOKOSA-N 2 1 295.402 2.153 20 0 CEADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccncc2F)C1 ZINC000449037893 261120120 /nfs/dbraw/zinc/12/01/20/261120120.db2.gz PXYSSOGSFJLYLI-OAHLLOKOSA-N 2 1 295.402 2.153 20 0 CEADMP COCc1cnc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414774654 263044098 /nfs/dbraw/zinc/04/40/98/263044098.db2.gz FQGWFHOBEOWIGT-OLZOCXBDSA-N 2 1 295.452 2.111 20 0 CEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccccc1F ZINC000430541479 263204036 /nfs/dbraw/zinc/20/40/36/263204036.db2.gz BFASKUQQADOCIJ-HNNXBMFYSA-N 2 1 281.375 2.117 20 0 CEADMP CO[C@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000425419748 264296611 /nfs/dbraw/zinc/29/66/11/264296611.db2.gz NTXLDWGMLVALDJ-JKSUJKDBSA-N 2 1 266.429 2.362 20 0 CEADMP CC(C)(C[NH3+])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000236594503 270315455 /nfs/dbraw/zinc/31/54/55/270315455.db2.gz CUJYZYGCOXHXCJ-UHFFFAOYSA-N 2 1 295.471 2.086 20 0 CEADMP Cc1csc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)n1 ZINC000397245517 270352158 /nfs/dbraw/zinc/35/21/58/270352158.db2.gz AQSHNVXEGRLRND-USWWRNFRSA-N 2 1 253.415 2.257 20 0 CEADMP Cc1csc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)n1 ZINC000397245517 270352159 /nfs/dbraw/zinc/35/21/59/270352159.db2.gz AQSHNVXEGRLRND-USWWRNFRSA-N 2 1 253.415 2.257 20 0 CEADMP Cc1ncsc1CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397355865 270353422 /nfs/dbraw/zinc/35/34/22/270353422.db2.gz FAPCCAWHINHMPR-MDZLAQPJSA-N 2 1 267.442 2.299 20 0 CEADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCCOc1ccccc1 ZINC000420376540 270531637 /nfs/dbraw/zinc/53/16/37/270531637.db2.gz VFBHEKREHQYTBP-FMKPAKJESA-N 2 1 262.397 2.432 20 0 CEADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)nn1 ZINC000420380822 270532863 /nfs/dbraw/zinc/53/28/63/270532863.db2.gz OHXZUVCUBYRTSA-QGZVFWFLSA-N 2 1 299.422 2.007 20 0 CEADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000422747276 270752246 /nfs/dbraw/zinc/75/22/46/270752246.db2.gz PQWMUZKZRMQPSR-BBRMVZONSA-N 2 1 298.386 2.463 20 0 CEADMP COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422795779 270772291 /nfs/dbraw/zinc/77/22/91/270772291.db2.gz WPWSSJABVNMDAB-HEHGZKQESA-N 2 1 278.396 2.193 20 0 CEADMP CCC[N@@H+](CC)CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422822860 270784896 /nfs/dbraw/zinc/78/48/96/270784896.db2.gz KYHLZQVUXOHENA-DOTOQJQBSA-N 2 1 277.456 2.266 20 0 CEADMP C[C@H]([NH2+]CCc1ccc(-n2cccn2)cc1)[C@H]1CCC[NH2+]1 ZINC000422824471 270785341 /nfs/dbraw/zinc/78/53/41/270785341.db2.gz NTOFOKNYQWCRDC-WMLDXEAASA-N 2 1 284.407 2.145 20 0 CEADMP C[C@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422864370 270794697 /nfs/dbraw/zinc/79/46/97/270794697.db2.gz UVJMVWWIYUBBGT-LZWOXQAQSA-N 2 1 265.445 2.124 20 0 CEADMP CSCC1CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423163857 270856944 /nfs/dbraw/zinc/85/69/44/270856944.db2.gz VWLWNKNPOGKZSG-BLYZHGLHSA-N 2 1 256.459 2.496 20 0 CEADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1nc2ccccc2n1C ZINC000423212050 270872483 /nfs/dbraw/zinc/87/24/83/270872483.db2.gz LMWIDJIYBHNLAX-QWHCGFSZSA-N 2 1 272.396 2.224 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]([NH3+])C2CC2)C[C@H]1c1ccccc1 ZINC000423335177 270899727 /nfs/dbraw/zinc/89/97/27/270899727.db2.gz WYJVZXVHSXRIJI-BBWFWOEESA-N 2 1 273.424 2.149 20 0 CEADMP c1cncc([C@H]2CCC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)c1 ZINC000423358443 270903241 /nfs/dbraw/zinc/90/32/41/270903241.db2.gz NGMHYARZAVARAN-CWRNSKLLSA-N 2 1 259.397 2.449 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000423353935 270903873 /nfs/dbraw/zinc/90/38/73/270903873.db2.gz FIUMXWDVIXCWDC-OAGGEKHMSA-N 2 1 295.471 2.145 20 0 CEADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423457797 270913865 /nfs/dbraw/zinc/91/38/65/270913865.db2.gz GANZZSGOBXBLGZ-LNLATYFQSA-N 2 1 252.333 2.147 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000424142770 271022667 /nfs/dbraw/zinc/02/26/67/271022667.db2.gz FCYDFTLERAKHNW-UHFFFAOYSA-N 2 1 295.289 2.303 20 0 CEADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)CC1 ZINC000424251693 271034094 /nfs/dbraw/zinc/03/40/94/271034094.db2.gz CLNSEJJRSIVCBU-WBIXOSHYSA-N 2 1 266.429 2.264 20 0 CEADMP CC(C)OCCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424285551 271040480 /nfs/dbraw/zinc/04/04/80/271040480.db2.gz FTQVOEZRMLWPJT-CQSZACIVSA-N 2 1 254.418 2.266 20 0 CEADMP C[C@@H]1CC2(C[N@H+]1Cc1cnc(N(C)C)s1)CC[NH2+]CC2 ZINC000424372632 271051404 /nfs/dbraw/zinc/05/14/04/271051404.db2.gz FXPRURIKXSDJNT-GFCCVEGCSA-N 2 1 294.468 2.173 20 0 CEADMP CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426478935 271222106 /nfs/dbraw/zinc/22/21/06/271222106.db2.gz GMAANEYCMOHGHY-INIZCTEOSA-N 2 1 295.471 2.242 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](C)OC ZINC000429228945 271313785 /nfs/dbraw/zinc/31/37/85/271313785.db2.gz UWXXXVKLAGBWIY-CYBMUJFWSA-N 2 1 253.390 2.192 20 0 CEADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](C)OC ZINC000429228945 271313789 /nfs/dbraw/zinc/31/37/89/271313789.db2.gz UWXXXVKLAGBWIY-CYBMUJFWSA-N 2 1 253.390 2.192 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429231239 271315850 /nfs/dbraw/zinc/31/58/50/271315850.db2.gz NZVRJJXLWFLQSA-OAHLLOKOSA-N 2 1 285.391 2.434 20 0 CEADMP Cc1nccn1CCCN1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000429387200 271327552 /nfs/dbraw/zinc/32/75/52/271327552.db2.gz KPJYDQVEWOHDPO-OAHLLOKOSA-N 2 1 290.455 2.388 20 0 CEADMP Cc1[nH+]ccn1CCCN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429387200 271327557 /nfs/dbraw/zinc/32/75/57/271327557.db2.gz KPJYDQVEWOHDPO-OAHLLOKOSA-N 2 1 290.455 2.388 20 0 CEADMP C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)CC[NH+](C2CCC2)C1 ZINC000429398285 271329572 /nfs/dbraw/zinc/32/95/72/271329572.db2.gz HJBWVMKIZSBQRY-HZPDHXFCSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@@H+](C2CCC2)C1 ZINC000429398285 271329574 /nfs/dbraw/zinc/32/95/74/271329574.db2.gz HJBWVMKIZSBQRY-HZPDHXFCSA-N 2 1 279.472 2.277 20 0 CEADMP C[C@@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@H+](C2CCC2)C1 ZINC000429398285 271329577 /nfs/dbraw/zinc/32/95/77/271329577.db2.gz HJBWVMKIZSBQRY-HZPDHXFCSA-N 2 1 279.472 2.277 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H](C)CC2(OC)CCC2)CC1 ZINC000429515565 271334766 /nfs/dbraw/zinc/33/47/66/271334766.db2.gz NTJMPHUPRLVSPR-AWEZNQCLSA-N 2 1 284.444 2.035 20 0 CEADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)NCC1CCCCC1 ZINC000430546300 271388362 /nfs/dbraw/zinc/38/83/62/271388362.db2.gz JPKDBVBFVYJFNZ-INIZCTEOSA-N 2 1 283.460 2.036 20 0 CEADMP CC[C@@H](F)C[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000440790815 271781749 /nfs/dbraw/zinc/78/17/49/271781749.db2.gz GGDMCRMBDKSLFS-ZIAGYGMSSA-N 2 1 260.397 2.167 20 0 CEADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCSCC1 ZINC000159904758 275395356 /nfs/dbraw/zinc/39/53/56/275395356.db2.gz XLDQOSNJJOBWTA-ZIAGYGMSSA-N 2 1 254.443 2.346 20 0 CEADMP C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C[NH+]1CCCC1 ZINC000250889046 275725049 /nfs/dbraw/zinc/72/50/49/275725049.db2.gz XDSSDRRZTAFLAQ-GVDBMIGSSA-N 3 1 279.472 2.373 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2c(C)noc2C)C1 ZINC000166185179 276109491 /nfs/dbraw/zinc/10/94/91/276109491.db2.gz CDJVZMIXVNVWLL-OAHLLOKOSA-N 2 1 279.428 2.498 20 0 CEADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2c(C)noc2C)C1 ZINC000166185179 276109492 /nfs/dbraw/zinc/10/94/92/276109492.db2.gz CDJVZMIXVNVWLL-OAHLLOKOSA-N 2 1 279.428 2.498 20 0 CEADMP CC[NH+](CC)[C@H](C)CNc1cccc(-n2cc[nH+]c2C)n1 ZINC000363721809 276115571 /nfs/dbraw/zinc/11/55/71/276115571.db2.gz LIFJWHLUOMFESY-CYBMUJFWSA-N 2 1 287.411 2.140 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCn3cccn3)C2)CC1 ZINC000154704293 276198673 /nfs/dbraw/zinc/19/86/73/276198673.db2.gz XEDMQAQABQOVIZ-QGZVFWFLSA-N 2 1 290.455 2.327 20 0 CEADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCn3cccn3)C2)CC1 ZINC000154704293 276198675 /nfs/dbraw/zinc/19/86/75/276198675.db2.gz XEDMQAQABQOVIZ-QGZVFWFLSA-N 2 1 290.455 2.327 20 0 CEADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC34CCC(CC3)C4)C2)CC1 ZINC000347738991 276200950 /nfs/dbraw/zinc/20/09/50/276200950.db2.gz SNLPORIVWQKKFG-ADKAHSJRSA-N 2 1 291.483 2.279 20 0 CEADMP CC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000358383466 276216548 /nfs/dbraw/zinc/21/65/48/276216548.db2.gz OXRJONIYFZOSAR-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000358383466 276216550 /nfs/dbraw/zinc/21/65/50/276216550.db2.gz OXRJONIYFZOSAR-GOEBONIOSA-N 2 1 295.471 2.097 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CCC2CC[NH2+]CC2)C[C@H]1C ZINC000359209825 276225036 /nfs/dbraw/zinc/22/50/36/276225036.db2.gz LHADMAFJOCQFLX-ZBFHGGJFSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CCC2CC[NH2+]CC2)C[C@H]1C ZINC000359209825 276225037 /nfs/dbraw/zinc/22/50/37/276225037.db2.gz LHADMAFJOCQFLX-ZBFHGGJFSA-N 3 1 267.461 2.181 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)C[C@H]1C ZINC000359209825 276225039 /nfs/dbraw/zinc/22/50/39/276225039.db2.gz LHADMAFJOCQFLX-ZBFHGGJFSA-N 3 1 267.461 2.181 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CCC2CC[NH2+]CC2)C[C@H]1C ZINC000359209825 276225040 /nfs/dbraw/zinc/22/50/40/276225040.db2.gz LHADMAFJOCQFLX-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CCC2CC[NH2+]CC2)C[C@H]1C ZINC000359209825 276225041 /nfs/dbraw/zinc/22/50/41/276225041.db2.gz LHADMAFJOCQFLX-ZBFHGGJFSA-N 2 1 267.461 2.181 20 0 CEADMP CCCC1CCC(C[NH2+]C[C@H]2C[NH2+]CCN2C)CC1 ZINC000414967996 276225841 /nfs/dbraw/zinc/22/58/41/276225841.db2.gz QWBCVXQCNALSRV-UYSNPLJNSA-N 2 1 267.461 2.086 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)N2CCC[C@H]2C)C1 ZINC000357936052 276248093 /nfs/dbraw/zinc/24/80/93/276248093.db2.gz VNGWBFKRMWPVKA-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)N2CCC[C@H]2C)C1 ZINC000357936052 276248096 /nfs/dbraw/zinc/24/80/96/276248096.db2.gz VNGWBFKRMWPVKA-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)N2CCC[C@H]2C)C1 ZINC000357936052 276248099 /nfs/dbraw/zinc/24/80/99/276248099.db2.gz VNGWBFKRMWPVKA-HZPDHXFCSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC000173814255 276248305 /nfs/dbraw/zinc/24/83/05/276248305.db2.gz IJUSFBQWKJJMCD-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000173814255 276248307 /nfs/dbraw/zinc/24/83/07/276248307.db2.gz IJUSFBQWKJJMCD-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000173814255 276248309 /nfs/dbraw/zinc/24/83/09/276248309.db2.gz IJUSFBQWKJJMCD-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@@H+]1C[C@H](NC[C@@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000343427932 276253057 /nfs/dbraw/zinc/25/30/57/276253057.db2.gz KYFGRBRGPTXCPR-PMPSAXMXSA-N 2 1 267.461 2.038 20 0 CEADMP CCN1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000343427932 276253058 /nfs/dbraw/zinc/25/30/58/276253058.db2.gz KYFGRBRGPTXCPR-PMPSAXMXSA-N 2 1 267.461 2.038 20 0 CEADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CN(C)C[C@H]2C)c1 ZINC000344208301 276308517 /nfs/dbraw/zinc/30/85/17/276308517.db2.gz GMRCSOCFSDSNMY-PBHICJAKSA-N 2 1 275.440 2.178 20 0 CEADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1(C(=O)OC)CCC1 ZINC000353347732 276434580 /nfs/dbraw/zinc/43/45/80/276434580.db2.gz LHYCPOCQOVTBNZ-OAHLLOKOSA-N 2 1 294.439 2.325 20 0 CEADMP C[NH+]1CCC([NH2+][C@@H]2CCc3cccnc3CC2)CC1 ZINC000335021959 277031429 /nfs/dbraw/zinc/03/14/29/277031429.db2.gz PNUJNEWERIXIAF-CQSZACIVSA-N 2 1 259.397 2.013 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000351178276 277043461 /nfs/dbraw/zinc/04/34/61/277043461.db2.gz AAEJKOOPDLPVEW-HUUCEWRRSA-N 2 1 276.428 2.464 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000351178276 277043462 /nfs/dbraw/zinc/04/34/62/277043462.db2.gz AAEJKOOPDLPVEW-HUUCEWRRSA-N 2 1 276.428 2.464 20 0 CEADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000351178276 277043463 /nfs/dbraw/zinc/04/34/63/277043463.db2.gz AAEJKOOPDLPVEW-HUUCEWRRSA-N 2 1 276.428 2.464 20 0 CEADMP CC(C)(C)[NH2+]CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000414710246 277172766 /nfs/dbraw/zinc/17/27/66/277172766.db2.gz PTYFLEIUERYLME-GDBMZVCRSA-N 2 1 279.472 2.323 20 0 CEADMP C[N@@H+]1CC[C@]2(CCN(c3cc[nH+]cc3Br)C2)C1 ZINC000292417061 277186059 /nfs/dbraw/zinc/18/60/59/277186059.db2.gz WEHFDENUXZBMAP-ZDUSSCGKSA-N 2 1 296.212 2.376 20 0 CEADMP C[N@H+]1CC[C@]2(CCN(c3cc[nH+]cc3Br)C2)C1 ZINC000292417061 277186060 /nfs/dbraw/zinc/18/60/60/277186060.db2.gz WEHFDENUXZBMAP-ZDUSSCGKSA-N 2 1 296.212 2.376 20 0 CEADMP COC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000370478845 277263194 /nfs/dbraw/zinc/26/31/94/277263194.db2.gz XKUJDOYMYVSLJD-PMPSAXMXSA-N 2 1 266.429 2.408 20 0 CEADMP COC(=O)[C@@]1(C)CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000412118905 277376827 /nfs/dbraw/zinc/37/68/27/277376827.db2.gz ZUTHDCUJVKPRNT-ZBFHGGJFSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)[C@@]1(C)CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000412118905 277376829 /nfs/dbraw/zinc/37/68/29/277376829.db2.gz ZUTHDCUJVKPRNT-ZBFHGGJFSA-N 2 1 282.428 2.136 20 0 CEADMP COC(=O)[C@@]1(C)CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000412118905 277376830 /nfs/dbraw/zinc/37/68/30/277376830.db2.gz ZUTHDCUJVKPRNT-ZBFHGGJFSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@@H]([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)C1CCCCC1 ZINC000361231980 277645951 /nfs/dbraw/zinc/64/59/51/277645951.db2.gz WIRZDRWKNHLVEK-KCQAQPDRSA-N 2 1 256.434 2.103 20 0 CEADMP C[C@@H]1CC([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000122941793 277666416 /nfs/dbraw/zinc/66/64/16/277666416.db2.gz SLSJOGGTWYNTGF-VXGBXAGGSA-N 2 1 252.402 2.159 20 0 CEADMP COc1ccc([C@H](OC)[C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000271560917 277934768 /nfs/dbraw/zinc/93/47/68/277934768.db2.gz UHXYJGSWTCIBDX-CXAGYDPISA-N 2 1 292.423 2.455 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)[C@H](C)O1 ZINC000414257441 278012859 /nfs/dbraw/zinc/01/28/59/278012859.db2.gz LEAGLHCUPQMJCG-FRRDWIJNSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000252127261 278028507 /nfs/dbraw/zinc/02/85/07/278028507.db2.gz LOFKQHDQVFWKFA-UHDSXZAQSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCN1C ZINC000252127261 278028510 /nfs/dbraw/zinc/02/85/10/278028510.db2.gz LOFKQHDQVFWKFA-UHDSXZAQSA-N 2 1 279.472 2.370 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC[N@@H+]1C ZINC000252127261 278028512 /nfs/dbraw/zinc/02/85/12/278028512.db2.gz LOFKQHDQVFWKFA-UHDSXZAQSA-N 3 1 279.472 2.370 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000252127261 278028513 /nfs/dbraw/zinc/02/85/13/278028513.db2.gz LOFKQHDQVFWKFA-UHDSXZAQSA-N 3 1 279.472 2.370 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)CC[N@@H+]1C ZINC000248819277 278030348 /nfs/dbraw/zinc/03/03/48/278030348.db2.gz LGMKNCINQMMLSM-REBRKWNGSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)CC[N@H+]1C ZINC000248819277 278030349 /nfs/dbraw/zinc/03/03/49/278030349.db2.gz LGMKNCINQMMLSM-REBRKWNGSA-N 2 1 252.402 2.016 20 0 CEADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)C2 ZINC000414963101 278035058 /nfs/dbraw/zinc/03/50/58/278035058.db2.gz XHCXMCWFCXICHY-IVMMDQJWSA-N 2 1 274.408 2.283 20 0 CEADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414749972 278219694 /nfs/dbraw/zinc/21/96/94/278219694.db2.gz ZCLRHAUADLPFAH-GJZGRUSLSA-N 2 1 295.471 2.084 20 0 CEADMP C[C@@H](CC[NH+](C)C)N[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000049554476 278229244 /nfs/dbraw/zinc/22/92/44/278229244.db2.gz UBIAEJWPMFSSMB-WMZOPIPTSA-N 2 1 289.467 2.233 20 0 CEADMP CC1(C)CCC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000091662745 278243258 /nfs/dbraw/zinc/24/32/58/278243258.db2.gz CZCQDFJBHMVCIX-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP CC1(C)CCC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000091662745 278243260 /nfs/dbraw/zinc/24/32/60/278243260.db2.gz CZCQDFJBHMVCIX-RRFJBIMHSA-N 2 1 266.429 2.408 20 0 CEADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)[C@H]1CCCO1 ZINC000336789559 278257785 /nfs/dbraw/zinc/25/77/85/278257785.db2.gz JLMLLUGJWWHKGJ-QLFBSQMISA-N 2 1 254.418 2.408 20 0 CEADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCOCC1 ZINC000086869568 278332207 /nfs/dbraw/zinc/33/22/07/278332207.db2.gz WKXIKIRMNWMTBC-LSDHHAIUSA-N 2 1 254.418 2.410 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000093215085 278341415 /nfs/dbraw/zinc/34/14/15/278341415.db2.gz YBEWXQYAGHLMNT-TZMCWYRMSA-N 3 1 253.434 2.109 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000252729472 288079683 /nfs/dbraw/zinc/07/96/83/288079683.db2.gz GVOJGQXSTAWZMC-RBSFLKMASA-N 2 1 298.496 2.361 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000252729472 288079687 /nfs/dbraw/zinc/07/96/87/288079687.db2.gz GVOJGQXSTAWZMC-RBSFLKMASA-N 2 1 298.496 2.361 20 0 CEADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H](CCCO)c1ccccc1 ZINC000305182197 288079772 /nfs/dbraw/zinc/07/97/72/288079772.db2.gz WMTNCBKVEPGDKI-DJIMGWMZSA-N 2 1 276.424 2.430 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H](CCCO)c1ccccc1 ZINC000305182197 288079776 /nfs/dbraw/zinc/07/97/76/288079776.db2.gz WMTNCBKVEPGDKI-DJIMGWMZSA-N 2 1 276.424 2.430 20 0 CEADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCCC[NH+]1CCCC[C@H]1C ZINC000359413278 288078863 /nfs/dbraw/zinc/07/88/63/288078863.db2.gz UHGKJMCWHDICEW-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NCCC[N@@H+]1CCCC[C@H]1C ZINC000359413278 288078866 /nfs/dbraw/zinc/07/88/66/288078866.db2.gz UHGKJMCWHDICEW-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP C[C@@H]1C[NH+](C)CC[C@H]1NCCC[N@H+]1CCCC[C@H]1C ZINC000359413278 288078869 /nfs/dbraw/zinc/07/88/69/288078869.db2.gz UHGKJMCWHDICEW-BZUAXINKSA-N 2 1 267.461 2.181 20 0 CEADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1 ZINC000358661453 279027022 /nfs/dbraw/zinc/02/70/22/279027022.db2.gz MLPDUNHPJSWEJE-SOUVJXGZSA-N 2 1 256.434 2.103 20 0 CEADMP CC[N@@H+](C)[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000262590590 279041327 /nfs/dbraw/zinc/04/13/27/279041327.db2.gz SLDBQRRWUGKGHF-OAHLLOKOSA-N 2 1 291.439 2.123 20 0 CEADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000248579648 279353412 /nfs/dbraw/zinc/35/34/12/279353412.db2.gz RCHKYJVZLGNJIZ-RHSMWYFYSA-N 2 1 291.439 2.134 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000251177887 279367991 /nfs/dbraw/zinc/36/79/91/279367991.db2.gz GNRMRNVHSCBBOU-ILXRZTDVSA-N 2 1 265.445 2.124 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000251177887 279367992 /nfs/dbraw/zinc/36/79/92/279367992.db2.gz GNRMRNVHSCBBOU-ILXRZTDVSA-N 2 1 265.445 2.124 20 0 CEADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415091046 279388109 /nfs/dbraw/zinc/38/81/09/279388109.db2.gz YQRWLNWQRXRODS-HYVNUMGLSA-N 2 1 284.407 2.355 20 0 CEADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1nc2c(s1)CCC2 ZINC000415113945 279497977 /nfs/dbraw/zinc/49/79/77/279497977.db2.gz SGIJKVNATTURQV-DCAQKATOSA-N 2 1 265.426 2.280 20 0 CEADMP C[C@H]1Cc2ccccc2N1CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000360335024 280032675 /nfs/dbraw/zinc/03/26/75/280032675.db2.gz FPNRRCREPBHYML-VYDXJSESSA-N 2 1 287.451 2.367 20 0 CEADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000360224078 288195905 /nfs/dbraw/zinc/19/59/05/288195905.db2.gz GAKXETSEVSCKPO-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000360224078 288195907 /nfs/dbraw/zinc/19/59/07/288195907.db2.gz GAKXETSEVSCKPO-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000360224078 288195909 /nfs/dbraw/zinc/19/59/09/288195909.db2.gz GAKXETSEVSCKPO-XHSDSOJGSA-N 2 1 295.471 2.240 20 0 CEADMP CCN(CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000223082393 280212463 /nfs/dbraw/zinc/21/24/63/280212463.db2.gz FWVQNWFNFFNFGX-KBPBESRZSA-N 2 1 299.459 2.316 20 0 CEADMP CCC(CC)[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000223428520 280213180 /nfs/dbraw/zinc/21/31/80/280213180.db2.gz PRURDBCMWCHGEW-CTHBEMJXSA-N 2 1 256.434 2.102 20 0 CEADMP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1C[NH+](CC)C[C@H]1C ZINC000344412969 280255357 /nfs/dbraw/zinc/25/53/57/280255357.db2.gz UOKZHBFIRVCAPS-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H]1C[NH+](CC)C[C@H]1C ZINC000344412969 280255360 /nfs/dbraw/zinc/25/53/60/280255360.db2.gz UOKZHBFIRVCAPS-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1C[N@H+](CC)C[C@H]1C ZINC000344412969 280255364 /nfs/dbraw/zinc/25/53/64/280255364.db2.gz UOKZHBFIRVCAPS-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC[C@@H]1CCCC[NH+]1CCN[C@H]1C[N@@H+](CC)C[C@H]1C ZINC000344412969 280255367 /nfs/dbraw/zinc/25/53/67/280255367.db2.gz UOKZHBFIRVCAPS-OAGGEKHMSA-N 2 1 267.461 2.181 20 0 CEADMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000246855017 280312237 /nfs/dbraw/zinc/31/22/37/280312237.db2.gz CFTFLMROLAZXHF-JJXSEGSLSA-N 3 1 267.461 2.179 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000246855017 280312240 /nfs/dbraw/zinc/31/22/40/280312240.db2.gz CFTFLMROLAZXHF-JJXSEGSLSA-N 3 1 267.461 2.179 20 0 CEADMP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000247063268 280319219 /nfs/dbraw/zinc/31/92/19/280319219.db2.gz NXJSNMHYUFBOOF-MJBXVCDLSA-N 2 1 254.418 2.406 20 0 CEADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000247082003 280320019 /nfs/dbraw/zinc/32/00/19/280320019.db2.gz QYHNSPFFFSMVNY-NFAWXSAZSA-N 2 1 276.428 2.042 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOCC2CC2)[C@@H](C)C1 ZINC000247893145 280340931 /nfs/dbraw/zinc/34/09/31/280340931.db2.gz FZVNIQDKJJZJHP-DZGCQCFKSA-N 2 1 254.418 2.123 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000249105401 280384741 /nfs/dbraw/zinc/38/47/41/280384741.db2.gz PEUZHFYJIYYXLD-VAQLIOGMSA-N 2 1 252.402 2.016 20 0 CEADMP C[C@@H]1COCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000249105401 280384743 /nfs/dbraw/zinc/38/47/43/280384743.db2.gz PEUZHFYJIYYXLD-VAQLIOGMSA-N 2 1 252.402 2.016 20 0 CEADMP Cc1ccc(N2CCC([NH2+][C@@H]3CCOC[C@H]3C)CC2)[nH+]c1 ZINC000195044037 280864035 /nfs/dbraw/zinc/86/40/35/280864035.db2.gz GCTFWANETPVKIN-GDBMZVCRSA-N 2 1 289.423 2.373 20 0 CEADMP C[C@H]([NH2+]CCOCc1ccccc1)c1c[nH+]ccc1N ZINC000422827211 280927108 /nfs/dbraw/zinc/92/71/08/280927108.db2.gz RVYKOACWODPBDU-ZDUSSCGKSA-N 2 1 271.364 2.362 20 0 CEADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422829814 280928693 /nfs/dbraw/zinc/92/86/93/280928693.db2.gz CBBHSGJVKFIHSA-STQMWFEESA-N 3 1 253.434 2.109 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2)c2ccccc21 ZINC000422913566 280962241 /nfs/dbraw/zinc/96/22/41/280962241.db2.gz QGPXNJWJPFVHSJ-IRXDYDNUSA-N 2 1 295.386 2.151 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000423031497 281001918 /nfs/dbraw/zinc/00/19/18/281001918.db2.gz LCMUGUZBHJEWBL-HIFRSBDPSA-N 2 1 284.407 2.268 20 0 CEADMP C[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)[C@H]1CCC[NH2+]1 ZINC000423032972 281003143 /nfs/dbraw/zinc/00/31/43/281003143.db2.gz NWDRUAALETZZSL-BXKDBHETSA-N 2 1 272.314 2.377 20 0 CEADMP Cn1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c(-c2ccccc2)n1 ZINC000423033297 281003767 /nfs/dbraw/zinc/00/37/67/281003767.db2.gz OCMVMMGQJNETSM-CABCVRRESA-N 2 1 270.380 2.057 20 0 CEADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423054437 281013176 /nfs/dbraw/zinc/01/31/76/281013176.db2.gz UKJKIVFOGKJPJW-XGUBFFRZSA-N 2 1 254.418 2.310 20 0 CEADMP COCC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCCC1 ZINC000423162361 281020845 /nfs/dbraw/zinc/02/08/45/281020845.db2.gz KTNXRLFREQWGKI-LBPRGKRZSA-N 2 1 263.385 2.352 20 0 CEADMP C[C@H](NC[C@H]([NH3+])C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423330981 281024430 /nfs/dbraw/zinc/02/44/30/281024430.db2.gz UMYDGSGQQOMWLR-QGTPRVQTSA-N 2 1 287.451 2.224 20 0 CEADMP CC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccn(C)n1 ZINC000423382121 281027101 /nfs/dbraw/zinc/02/71/01/281027101.db2.gz JUXLQQWXHLAGQB-HNNXBMFYSA-N 2 1 270.380 2.264 20 0 CEADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423446751 281044910 /nfs/dbraw/zinc/04/49/10/281044910.db2.gz ZATLMDBTJPNHQK-OATJKSFMSA-N 2 1 260.356 2.257 20 0 CEADMP N[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000423465279 281048739 /nfs/dbraw/zinc/04/87/39/281048739.db2.gz HMXGTQQMGHQSJY-VZAMPYOESA-N 2 1 259.397 2.238 20 0 CEADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000423727482 281084049 /nfs/dbraw/zinc/08/40/49/281084049.db2.gz LEBXWFMKAOZLBE-QLFBSQMISA-N 2 1 293.455 2.122 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424274783 281141767 /nfs/dbraw/zinc/14/17/67/281141767.db2.gz ACKZDLVPINXVTC-GOEBONIOSA-N 2 1 293.430 2.142 20 0 CEADMP COc1ccccc1OCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429002405 281214629 /nfs/dbraw/zinc/21/46/29/281214629.db2.gz JTTPMMVZVIIKFL-QGZVFWFLSA-N 2 1 290.407 2.102 20 0 CEADMP COc1ccccc1OCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429002405 281214630 /nfs/dbraw/zinc/21/46/30/281214630.db2.gz JTTPMMVZVIIKFL-QGZVFWFLSA-N 2 1 290.407 2.102 20 0 CEADMP COc1ccccc1OCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429002405 281214631 /nfs/dbraw/zinc/21/46/31/281214631.db2.gz JTTPMMVZVIIKFL-QGZVFWFLSA-N 2 1 290.407 2.102 20 0 CEADMP COc1ccccc1OCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429002405 281214632 /nfs/dbraw/zinc/21/46/32/281214632.db2.gz JTTPMMVZVIIKFL-QGZVFWFLSA-N 2 1 290.407 2.102 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H](C)[NH3+])c2C1 ZINC000430895977 281280291 /nfs/dbraw/zinc/28/02/91/281280291.db2.gz FJKZMBQJXKGPKR-NSHDSACASA-N 2 1 261.369 2.088 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H](C)[NH3+])c2C1 ZINC000430895977 281280293 /nfs/dbraw/zinc/28/02/93/281280293.db2.gz FJKZMBQJXKGPKR-NSHDSACASA-N 2 1 261.369 2.088 20 0 CEADMP CO[C@@H](C)c1nc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cs1 ZINC000430927183 281281619 /nfs/dbraw/zinc/28/16/19/281281619.db2.gz QDPKSDRPDWUFOC-MNOVXSKESA-N 2 1 283.441 2.410 20 0 CEADMP CC[N@H+](Cc1cccc2c1OCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435382097 281386583 /nfs/dbraw/zinc/38/65/83/281386583.db2.gz XQUCOUJGUDZZFK-OAHLLOKOSA-N 2 1 290.407 2.422 20 0 CEADMP CC[N@@H+](Cc1cccc2c1OCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435382097 281386585 /nfs/dbraw/zinc/38/65/85/281386585.db2.gz XQUCOUJGUDZZFK-OAHLLOKOSA-N 2 1 290.407 2.422 20 0 CEADMP CC[N@H+](Cc1cc(C(=O)OC)co1)[C@H]1CCC[NH2+]CC1 ZINC000435396606 281388231 /nfs/dbraw/zinc/38/82/31/281388231.db2.gz ZLYZLEUKWUAANV-ZDUSSCGKSA-N 2 1 280.368 2.030 20 0 CEADMP CC[N@@H+](Cc1cc(C(=O)OC)co1)[C@H]1CCC[NH2+]CC1 ZINC000435396606 281388233 /nfs/dbraw/zinc/38/82/33/281388233.db2.gz ZLYZLEUKWUAANV-ZDUSSCGKSA-N 2 1 280.368 2.030 20 0 CEADMP CC1CC[NH+](CCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089140417 281808936 /nfs/dbraw/zinc/80/89/36/281808936.db2.gz YXYWNFXYUFZGSQ-HZPDHXFCSA-N 3 1 267.461 2.216 20 0 CEADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000356319621 282008508 /nfs/dbraw/zinc/00/85/08/282008508.db2.gz ZPVDYPDKSGLECZ-YOEHRIQHSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000152444231 289089078 /nfs/dbraw/zinc/08/90/78/289089078.db2.gz XFHXNNNZTRYHQZ-ZNMIVQPWSA-N 2 1 256.434 2.105 20 0 CEADMP C[C@H]1C[C@H]([NH2+]CC2(O)CCC(C)(C)CC2)CC[N@H+]1C ZINC000156117951 289189549 /nfs/dbraw/zinc/18/95/49/289189549.db2.gz XKJRNZZFKPWQNP-UONOGXRCSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@H](C(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1CCCCCC1 ZINC000353777871 289352646 /nfs/dbraw/zinc/35/26/46/289352646.db2.gz YBINOLCDHBQFSS-OAHLLOKOSA-N 2 1 295.471 2.242 20 0 CEADMP C[NH+](C)[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])c1cccs1 ZINC000089140471 289364835 /nfs/dbraw/zinc/36/48/35/289364835.db2.gz ZLMGBTZAIXPGEQ-MGPQQGTHSA-N 2 1 281.469 2.458 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCCO1 ZINC000356696388 290019155 /nfs/dbraw/zinc/01/91/55/290019155.db2.gz LWTUISWJRISYEB-XGUBFFRZSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@H](CNC1CC[NH+](C2CC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000459367331 290128136 /nfs/dbraw/zinc/12/81/36/290128136.db2.gz DMNLEINIFSZKNV-LSDHHAIUSA-N 2 1 279.472 2.466 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@H]1SC ZINC000459390692 290134405 /nfs/dbraw/zinc/13/44/05/290134405.db2.gz OYLBJUVRCRNXDS-MGPQQGTHSA-N 2 1 274.474 2.215 20 0 CEADMP Cc1cc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)no1 ZINC000459404095 290138587 /nfs/dbraw/zinc/13/85/87/290138587.db2.gz CSAAWGCCZAHRIM-UHFFFAOYSA-N 2 1 286.379 2.445 20 0 CEADMP CC(C)C[C@@H](CCO)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459411546 290140527 /nfs/dbraw/zinc/14/05/27/290140527.db2.gz DQDJMSZIJYEGFH-CQSZACIVSA-N 2 1 268.445 2.248 20 0 CEADMP CC(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459423653 290143614 /nfs/dbraw/zinc/14/36/14/290143614.db2.gz KENMKSSKDVVPJP-CZUORRHYSA-N 2 1 266.429 2.264 20 0 CEADMP C[C@H](CCO)C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000459472354 290158188 /nfs/dbraw/zinc/15/81/88/290158188.db2.gz WBIJAPUVKXEFKW-CQSZACIVSA-N 2 1 280.456 2.392 20 0 CEADMP Cc1ncc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)s1 ZINC000459721024 290216966 /nfs/dbraw/zinc/21/69/66/290216966.db2.gz AEZPNGYGNVVPHT-GFCCVEGCSA-N 2 1 253.415 2.273 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc3c2OCO3)C1 ZINC000459744079 290224400 /nfs/dbraw/zinc/22/44/00/290224400.db2.gz XRLAVHPUNKLZFI-CYBMUJFWSA-N 2 1 276.380 2.237 20 0 CEADMP COC[C@H](CC(C)C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459779926 290237265 /nfs/dbraw/zinc/23/72/65/290237265.db2.gz LRIQMUBZRUPIRJ-GJZGRUSLSA-N 2 1 256.434 2.369 20 0 CEADMP C(=C/c1ccncc1)\C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000486956794 290323779 /nfs/dbraw/zinc/32/37/79/290323779.db2.gz OSPXBFGMRMBMBO-YLSAJCSVSA-N 2 1 257.381 2.169 20 0 CEADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H]1CC1(C)C ZINC000487319114 290342074 /nfs/dbraw/zinc/34/20/74/290342074.db2.gz IOYFHKGHPWPTEG-HOCLYGCPSA-N 2 1 281.488 2.284 20 0 CEADMP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000530219481 298054225 /nfs/dbraw/zinc/05/42/25/298054225.db2.gz PTTZUYVJJINXQZ-IRXDYDNUSA-N 2 1 294.414 2.457 20 0 CEADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1(C)C ZINC000530222200 298056084 /nfs/dbraw/zinc/05/60/84/298056084.db2.gz QXXVGORTEGNJKU-FRRDWIJNSA-N 2 1 252.402 2.064 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000530407272 298068853 /nfs/dbraw/zinc/06/88/53/298068853.db2.gz JWUBZRAUAFXMBC-OAHLLOKOSA-N 2 1 271.364 2.466 20 0 CEADMP CC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000531970910 298127223 /nfs/dbraw/zinc/12/72/23/298127223.db2.gz BPGSXGXJOMPLJC-GDBMZVCRSA-N 2 1 295.471 2.097 20 0 CEADMP COc1ccccc1OCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000532460395 298145090 /nfs/dbraw/zinc/14/50/90/298145090.db2.gz PPKQBJMOBSMQFK-RBSFLKMASA-N 2 1 292.423 2.392 20 0 CEADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000540432101 298265053 /nfs/dbraw/zinc/26/50/53/298265053.db2.gz DHNLUXUCZWRNDY-ZDUSSCGKSA-N 2 1 296.378 2.123 20 0 CEADMP COCC[NH2+]C1CC[NH+](Cc2sccc2C)CC1 ZINC000563231573 298751845 /nfs/dbraw/zinc/75/18/45/298751845.db2.gz LDNSFUHDYINFEO-UHFFFAOYSA-N 2 1 268.426 2.257 20 0 CEADMP Cn1c[nH+]cc1CCC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000566417521 298978861 /nfs/dbraw/zinc/97/88/61/298978861.db2.gz YRFMVQZTVICREP-INIZCTEOSA-N 2 1 277.412 2.244 20 0 CEADMP COc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C)n1 ZINC000566678557 299014611 /nfs/dbraw/zinc/01/46/11/299014611.db2.gz GCPOXIJPVPGYBT-QGZVFWFLSA-N 2 1 289.423 2.283 20 0 CEADMP COc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C)n1 ZINC000566678557 299014613 /nfs/dbraw/zinc/01/46/13/299014613.db2.gz GCPOXIJPVPGYBT-QGZVFWFLSA-N 2 1 289.423 2.283 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000567246107 299046131 /nfs/dbraw/zinc/04/61/31/299046131.db2.gz FSTOHHWMDXTOPH-SFHVURJKSA-N 2 1 299.418 2.296 20 0 CEADMP Cn1cncc1CCCN1CCO[C@@H](Cc2ccccc2)C1 ZINC000567246107 299046134 /nfs/dbraw/zinc/04/61/34/299046134.db2.gz FSTOHHWMDXTOPH-SFHVURJKSA-N 2 1 299.418 2.296 20 0 CEADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000567350849 299055353 /nfs/dbraw/zinc/05/53/53/299055353.db2.gz ARFRLRZLBMLVLD-CVEARBPZSA-N 2 1 295.471 2.275 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000517221366 313106940 /nfs/dbraw/zinc/10/69/40/313106940.db2.gz ZNIMXQZGBBAMCX-CQSZACIVSA-N 2 1 273.424 2.392 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000517221366 313106944 /nfs/dbraw/zinc/10/69/44/313106944.db2.gz ZNIMXQZGBBAMCX-CQSZACIVSA-N 2 1 273.424 2.392 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H](NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000517588893 313112152 /nfs/dbraw/zinc/11/21/52/313112152.db2.gz UJDXVLFDLLZKQR-HUUCEWRRSA-N 2 1 297.512 2.208 20 0 CEADMP Cc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccn1 ZINC000527537917 313181721 /nfs/dbraw/zinc/18/17/21/313181721.db2.gz CQBYHBULXFIAHE-XYPWUTKMSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccn1 ZINC000527537917 313181723 /nfs/dbraw/zinc/18/17/23/313181723.db2.gz CQBYHBULXFIAHE-XYPWUTKMSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccn1 ZINC000527537917 313181725 /nfs/dbraw/zinc/18/17/25/313181725.db2.gz CQBYHBULXFIAHE-XYPWUTKMSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccn1 ZINC000527537917 313181729 /nfs/dbraw/zinc/18/17/29/313181729.db2.gz CQBYHBULXFIAHE-XYPWUTKMSA-N 2 1 259.397 2.447 20 0 CEADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccn1 ZINC000527537917 313181731 /nfs/dbraw/zinc/18/17/31/313181731.db2.gz CQBYHBULXFIAHE-XYPWUTKMSA-N 2 1 259.397 2.447 20 0 CEADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000527930728 313216190 /nfs/dbraw/zinc/21/61/90/313216190.db2.gz SQINEQHVUJPDNX-KBUPBQIOSA-N 2 1 254.418 2.121 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)COc3ccccc3O2)CC[N@H+]1C ZINC000527938880 313217624 /nfs/dbraw/zinc/21/76/24/313217624.db2.gz YXCHYULZXHVJHA-KEYYUXOJSA-N 2 1 290.407 2.289 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000533573045 313370463 /nfs/dbraw/zinc/37/04/63/313370463.db2.gz DZNHCQWXRZWWMO-AWEZNQCLSA-N 2 1 272.396 2.384 20 0 CEADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000533573045 313370468 /nfs/dbraw/zinc/37/04/68/313370468.db2.gz DZNHCQWXRZWWMO-AWEZNQCLSA-N 2 1 272.396 2.384 20 0 CEADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000533573045 313370471 /nfs/dbraw/zinc/37/04/71/313370471.db2.gz DZNHCQWXRZWWMO-AWEZNQCLSA-N 2 1 272.396 2.384 20 0 CEADMP Cc1c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cnn1C ZINC000535082968 313387931 /nfs/dbraw/zinc/38/79/31/313387931.db2.gz IJNOKTWYFQXNTG-UHFFFAOYSA-N 2 1 278.444 2.281 20 0 CEADMP COc1ccccc1OCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000566089520 313848874 /nfs/dbraw/zinc/84/88/74/313848874.db2.gz JYOFYSWWCHXTEA-GFCCVEGCSA-N 2 1 287.363 2.232 20 0 CEADMP Cc1[nH+]cc(CNC2CC[NH+](CC3CCCC3)CC2)n1C ZINC000573459553 314159557 /nfs/dbraw/zinc/15/95/57/314159557.db2.gz IZQWMBISVNLIFU-UHFFFAOYSA-N 2 1 290.455 2.473 20 0 CEADMP Cc1ccccc1[C@@H](C)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000573953648 314186661 /nfs/dbraw/zinc/18/66/61/314186661.db2.gz HLTZHCPNEGFTNO-CYBMUJFWSA-N 2 1 299.422 2.431 20 0 CEADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000576102877 314241423 /nfs/dbraw/zinc/24/14/23/314241423.db2.gz APYDTGTUUJRLOO-QLPKVWCKSA-N 2 1 298.471 2.421 20 0 CEADMP Cn1c[nH+]cc1CCC[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000576118532 314243750 /nfs/dbraw/zinc/24/37/50/314243750.db2.gz PGIWWYUFFWIBJI-UHFFFAOYSA-N 2 1 299.374 2.360 20 0 CEADMP C[NH2+]CCS[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576515259 314283193 /nfs/dbraw/zinc/28/31/93/314283193.db2.gz GRXSBFTXCOEQJI-CQSZACIVSA-N 2 1 250.411 2.214 20 0 CEADMP C[NH2+]CCS[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576515258 314283063 /nfs/dbraw/zinc/28/30/63/314283063.db2.gz GRXSBFTXCOEQJI-AWEZNQCLSA-N 2 1 250.411 2.214 20 0 CEADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1CO ZINC000576814692 314313179 /nfs/dbraw/zinc/31/31/79/314313179.db2.gz NQXPEWFKOCHOEO-RDTXWAMCSA-N 2 1 284.403 2.227 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000576954560 314327188 /nfs/dbraw/zinc/32/71/88/314327188.db2.gz RYMVNFAGQKUSTI-GDBMZVCRSA-N 2 1 296.842 2.442 20 0 CEADMP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000576954560 314327191 /nfs/dbraw/zinc/32/71/91/314327191.db2.gz RYMVNFAGQKUSTI-GDBMZVCRSA-N 2 1 296.842 2.442 20 0 CEADMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000576954560 314327193 /nfs/dbraw/zinc/32/71/93/314327193.db2.gz RYMVNFAGQKUSTI-GDBMZVCRSA-N 2 1 296.842 2.442 20 0 CEADMP Clc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000577382515 314370523 /nfs/dbraw/zinc/37/05/23/314370523.db2.gz VXQOHQZKCHQACM-ABAIWWIYSA-N 2 1 280.799 2.295 20 0 CEADMP COc1cc([C@H](C)[NH2+]CCC[NH+]2CCCC2)ccn1 ZINC000577525801 314387840 /nfs/dbraw/zinc/38/78/40/314387840.db2.gz SCTQUTNGRIHJTG-ZDUSSCGKSA-N 2 1 263.385 2.227 20 0 CEADMP CCCc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000578206322 314456670 /nfs/dbraw/zinc/45/66/70/314456670.db2.gz PAAMPJMXWYCXBW-NWDGAFQWSA-N 2 1 251.374 2.295 20 0 CEADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000382533835 321840874 /nfs/dbraw/zinc/84/08/74/321840874.db2.gz LHUKVWGTKDGBDC-GFCCVEGCSA-N 2 1 275.396 2.438 20 0 CEADMP C[C@H](NC[C@@H](c1ccco1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000386532171 321872056 /nfs/dbraw/zinc/87/20/56/321872056.db2.gz AUVNEZYNKWPCGN-MJBXVCDLSA-N 2 1 265.401 2.003 20 0 CEADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H](C)O ZINC000386821228 321873956 /nfs/dbraw/zinc/87/39/56/321873956.db2.gz UEMLHXPPJGAATE-YJBOKZPZSA-N 2 1 290.451 2.443 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000580342039 322312891 /nfs/dbraw/zinc/31/28/91/322312891.db2.gz PNVJLQDYUZGLBD-UNEWFSDZSA-N 2 1 294.414 2.316 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000580342039 322312893 /nfs/dbraw/zinc/31/28/93/322312893.db2.gz PNVJLQDYUZGLBD-UNEWFSDZSA-N 2 1 294.414 2.316 20 0 CEADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000580342039 322312895 /nfs/dbraw/zinc/31/28/95/322312895.db2.gz PNVJLQDYUZGLBD-UNEWFSDZSA-N 2 1 294.414 2.316 20 0 CEADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)CC[NH2+]1 ZINC000580701947 322336645 /nfs/dbraw/zinc/33/66/45/322336645.db2.gz RNTMTOXOLDPNGV-FRRDWIJNSA-N 2 1 294.361 2.418 20 0 CEADMP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(OC)c1 ZINC000580773686 322342802 /nfs/dbraw/zinc/34/28/02/322342802.db2.gz GTZVNYNLRGHESZ-KRWDZBQOSA-N 2 1 290.407 2.279 20 0 CEADMP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(OC)c1 ZINC000580773686 322342804 /nfs/dbraw/zinc/34/28/04/322342804.db2.gz GTZVNYNLRGHESZ-KRWDZBQOSA-N 2 1 290.407 2.279 20 0 CEADMP C[C@]1(C[NH2+]Cc2cnc(C3CC3)s2)CCC[NH2+]C1 ZINC000581297938 322384694 /nfs/dbraw/zinc/38/46/94/322384694.db2.gz DWMDQKIUKJHAOE-AWEZNQCLSA-N 2 1 265.426 2.500 20 0 CEADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000581318569 322386912 /nfs/dbraw/zinc/38/69/12/322386912.db2.gz ZICGBAOJXZGVRG-MJBXVCDLSA-N 2 1 256.434 2.103 20 0 CEADMP Cc1ccn2cc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)nc2c1 ZINC000581894994 322430228 /nfs/dbraw/zinc/43/02/28/322430228.db2.gz OJCQUJOCTMDHLS-STQMWFEESA-N 2 1 258.369 2.002 20 0 CEADMP C[C@@H]1C[C@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H](C)O1 ZINC000414519371 533875047 /nfs/dbraw/zinc/87/50/47/533875047.db2.gz UGFAUWPHEUQZEU-IJLUTSLNSA-N 2 1 283.441 2.108 20 0 CEADMP COc1ccccc1/C=C/C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357087592 533950847 /nfs/dbraw/zinc/95/08/47/533950847.db2.gz SDKRCKCMIQJXSU-ZOESHWHXSA-N 2 1 272.392 2.250 20 0 CEADMP COc1ccccc1/C=C/C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357087592 533950850 /nfs/dbraw/zinc/95/08/50/533950850.db2.gz SDKRCKCMIQJXSU-ZOESHWHXSA-N 2 1 272.392 2.250 20 0 CEADMP C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000400459190 534076768 /nfs/dbraw/zinc/07/67/68/534076768.db2.gz QYJBOHVOYTYWKE-ZOBUZTSGSA-N 2 1 275.440 2.237 20 0 CEADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000156678084 520372213 /nfs/dbraw/zinc/37/22/13/520372213.db2.gz HYIUKVMUPIKJCT-DZGCQCFKSA-N 2 1 277.412 2.300 20 0 CEADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000156678084 520372216 /nfs/dbraw/zinc/37/22/16/520372216.db2.gz HYIUKVMUPIKJCT-DZGCQCFKSA-N 2 1 277.412 2.300 20 0 CEADMP CC[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCCCO2)[C@H](C)C1 ZINC000162328813 521715385 /nfs/dbraw/zinc/71/53/85/521715385.db2.gz YUQYOKBYXZPATL-QLFBSQMISA-N 2 1 254.418 2.266 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261938147 522287350 /nfs/dbraw/zinc/28/73/50/522287350.db2.gz DJJOELHBRFNJRL-UHFFFAOYSA-N 2 1 273.424 2.328 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000357069111 534636613 /nfs/dbraw/zinc/63/66/13/534636613.db2.gz HDGVQPAGWIJLDA-MRXNPFEDSA-N 2 1 262.397 2.231 20 0 CEADMP [NH3+]CCOCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000357065427 534637042 /nfs/dbraw/zinc/63/70/42/534637042.db2.gz ALBSHSSHHCMLAA-OAHLLOKOSA-N 2 1 266.360 2.328 20 0 CEADMP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000157324887 524826835 /nfs/dbraw/zinc/82/68/35/524826835.db2.gz ZSFHAXKSIARBHG-JTQLQIEISA-N 2 1 298.228 2.403 20 0 CEADMP Cc1cc2ncc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c(C)n2n1 ZINC000049553697 525684045 /nfs/dbraw/zinc/68/40/45/525684045.db2.gz DYMTZWZIFRSSLH-AAEUAGOBSA-N 2 1 289.427 2.337 20 0 CEADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOc1ccccc1 ZINC000054602356 527145189 /nfs/dbraw/zinc/14/51/89/527145189.db2.gz KXEKVMJLOMQXES-GOOCMWNKSA-N 2 1 260.381 2.410 20 0 CEADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000365132391 527423043 /nfs/dbraw/zinc/42/30/43/527423043.db2.gz HWUONCROOACTTA-RBSFLKMASA-N 2 1 275.396 2.129 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000183321895 527439178 /nfs/dbraw/zinc/43/91/78/527439178.db2.gz YIQSEHUBGGSJQN-WFASDCNBSA-N 2 1 287.411 2.302 20 0 CEADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2c(C)noc2C)C1 ZINC000166250479 527836856 /nfs/dbraw/zinc/83/68/56/527836856.db2.gz YGFFMVRZRPVDNY-HNNXBMFYSA-N 2 1 279.428 2.498 20 0 CEADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2c(C)noc2C)C1 ZINC000166250479 527836862 /nfs/dbraw/zinc/83/68/62/527836862.db2.gz YGFFMVRZRPVDNY-HNNXBMFYSA-N 2 1 279.428 2.498 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2c(C)noc2C)C1 ZINC000166250479 527836867 /nfs/dbraw/zinc/83/68/67/527836867.db2.gz YGFFMVRZRPVDNY-HNNXBMFYSA-N 2 1 279.428 2.498 20 0 CEADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2c(C)noc2C)C1 ZINC000166250479 527836872 /nfs/dbraw/zinc/83/68/72/527836872.db2.gz YGFFMVRZRPVDNY-HNNXBMFYSA-N 2 1 279.428 2.498 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(OC)cc2)[C@H](C)C1 ZINC000125397298 527883068 /nfs/dbraw/zinc/88/30/68/527883068.db2.gz GFDOSNBUNRIYDR-COXVUDFISA-N 2 1 292.423 2.049 20 0 CEADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357419358 528055861 /nfs/dbraw/zinc/05/58/61/528055861.db2.gz RBUOGQAMOFAVNY-HOTGVXAUSA-N 2 1 297.487 2.488 20 0 CEADMP CCCOc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000414886320 528686701 /nfs/dbraw/zinc/68/67/01/528686701.db2.gz PJENVPIGRUTIKY-UHFFFAOYSA-N 2 1 278.396 2.455 20 0 CEADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCn1cc(Cl)cn1 ZINC000312899360 535077071 /nfs/dbraw/zinc/07/70/71/535077071.db2.gz KJYQAVIAQLDULP-UHFFFAOYSA-N 2 1 270.808 2.001 20 0 CEADMP CC/C=C(/C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000729337552 574485492 /nfs/dbraw/zinc/48/54/92/574485492.db2.gz GPBBCAZMMFSQSS-ACAGNQJTSA-N 2 1 288.395 2.128 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CC2([NH3+])CCC2)C1 ZINC000237507920 574487559 /nfs/dbraw/zinc/48/75/59/574487559.db2.gz WGWUBOKFWUKGTQ-GASCZTMLSA-N 2 1 295.471 2.132 20 0 CEADMP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729931960 574496116 /nfs/dbraw/zinc/49/61/16/574496116.db2.gz LZHLMGWLRMDSJM-GFCCVEGCSA-N 2 1 293.802 2.416 20 0 CEADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CCCC[NH+]1CCCC1 ZINC000734447841 574713935 /nfs/dbraw/zinc/71/39/35/574713935.db2.gz VTKWZWDPINYAKC-MRXNPFEDSA-N 2 1 295.471 2.053 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000756073073 574796731 /nfs/dbraw/zinc/79/67/31/574796731.db2.gz UZXQPISHTKDUHW-RDBSUJKOSA-N 2 1 299.459 2.220 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CC[C@H]2C(C)C)CC1 ZINC000353502063 574798537 /nfs/dbraw/zinc/79/85/37/574798537.db2.gz KFZJPQAUARODOX-GJZGRUSLSA-N 2 1 254.418 2.121 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C(C)C)CC1 ZINC000353502065 574798559 /nfs/dbraw/zinc/79/85/59/574798559.db2.gz KFZJPQAUARODOX-LSDHHAIUSA-N 2 1 254.418 2.121 20 0 CEADMP CCC[C@@]1(C)CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000743872312 575111557 /nfs/dbraw/zinc/11/15/57/575111557.db2.gz NOICMPFHXMPZIR-HOTGVXAUSA-N 2 1 268.445 2.345 20 0 CEADMP CCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000746652450 575161748 /nfs/dbraw/zinc/16/17/48/575161748.db2.gz NHUCYRWXRBUCRO-KRWDZBQOSA-N 2 1 294.414 2.494 20 0 CEADMP CCC[N@H+](Cc1ccc(F)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000746652450 575161749 /nfs/dbraw/zinc/16/17/49/575161749.db2.gz NHUCYRWXRBUCRO-KRWDZBQOSA-N 2 1 294.414 2.494 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000747532432 575171740 /nfs/dbraw/zinc/17/17/40/575171740.db2.gz XUFVVGPFCRTRPG-IYNGYCSASA-N 2 1 260.809 2.172 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000750983741 575280995 /nfs/dbraw/zinc/28/09/95/575280995.db2.gz MTKZEAAUDKVJNS-HNNXBMFYSA-N 2 1 298.496 2.195 20 0 CEADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000750983741 575280996 /nfs/dbraw/zinc/28/09/96/575280996.db2.gz MTKZEAAUDKVJNS-HNNXBMFYSA-N 2 1 298.496 2.195 20 0 CEADMP CC(C)[NH2+]CC1CC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000961923957 613945443 /nfs/dbraw/zinc/94/54/43/613945443.db2.gz JQLGMTWSTHICDS-UYSNPLJNSA-N 2 1 295.471 2.142 20 0 CEADMP CC(C)C[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000981743270 614087752 /nfs/dbraw/zinc/08/77/52/614087752.db2.gz UISZDAGQVMAXPJ-UHFFFAOYSA-N 2 1 295.471 2.051 20 0 CEADMP CC(C)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000968915749 614148499 /nfs/dbraw/zinc/14/84/99/614148499.db2.gz PIPDXYNUTKNSOJ-CVEARBPZSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000960867779 614259378 /nfs/dbraw/zinc/25/93/78/614259378.db2.gz XFYBCQXOIMZSON-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000960867779 614259380 /nfs/dbraw/zinc/25/93/80/614259380.db2.gz XFYBCQXOIMZSON-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000960867779 614259382 /nfs/dbraw/zinc/25/93/82/614259382.db2.gz XFYBCQXOIMZSON-HNNXBMFYSA-N 2 1 295.471 2.050 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000971682336 614529627 /nfs/dbraw/zinc/52/96/27/614529627.db2.gz NSYPHVRSCXHJPJ-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971682336 614529630 /nfs/dbraw/zinc/52/96/30/614529630.db2.gz NSYPHVRSCXHJPJ-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971682336 614529635 /nfs/dbraw/zinc/52/96/35/614529635.db2.gz NSYPHVRSCXHJPJ-JKSUJKDBSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC000971682335 614530266 /nfs/dbraw/zinc/53/02/66/614530266.db2.gz NSYPHVRSCXHJPJ-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971682335 614530268 /nfs/dbraw/zinc/53/02/68/614530268.db2.gz NSYPHVRSCXHJPJ-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971682335 614530270 /nfs/dbraw/zinc/53/02/70/614530270.db2.gz NSYPHVRSCXHJPJ-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000972485907 614534333 /nfs/dbraw/zinc/53/43/33/614534333.db2.gz PDBYIEDGDWJBDO-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000972485907 614534334 /nfs/dbraw/zinc/53/43/34/614534334.db2.gz PDBYIEDGDWJBDO-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000972485907 614534339 /nfs/dbraw/zinc/53/43/39/614534339.db2.gz PDBYIEDGDWJBDO-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970528610 614613037 /nfs/dbraw/zinc/61/30/37/614613037.db2.gz HKRZRAAHMGADCY-GOEBONIOSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968863909 614629469 /nfs/dbraw/zinc/62/94/69/614629469.db2.gz MNXSKXSDWGNRRO-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968863909 614629473 /nfs/dbraw/zinc/62/94/73/614629473.db2.gz MNXSKXSDWGNRRO-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968863909 614629478 /nfs/dbraw/zinc/62/94/78/614629478.db2.gz MNXSKXSDWGNRRO-BZUAXINKSA-N 2 1 295.471 2.097 20 0 CEADMP CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1C[NH+](C(C)C)C1 ZINC000950708122 614671626 /nfs/dbraw/zinc/67/16/26/614671626.db2.gz MGKQPZZOAWKHOK-MRXNPFEDSA-N 2 1 295.471 2.048 20 0 CEADMP CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C1C[NH+](C(C)C)C1 ZINC000950708122 614671629 /nfs/dbraw/zinc/67/16/29/614671629.db2.gz MGKQPZZOAWKHOK-MRXNPFEDSA-N 2 1 295.471 2.048 20 0 CEADMP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974575930 614780768 /nfs/dbraw/zinc/78/07/68/614780768.db2.gz KFEOYVFCJHFVLL-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974575930 614780769 /nfs/dbraw/zinc/78/07/69/614780769.db2.gz KFEOYVFCJHFVLL-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974575930 614780770 /nfs/dbraw/zinc/78/07/70/614780770.db2.gz KFEOYVFCJHFVLL-LSDHHAIUSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000969653821 614969611 /nfs/dbraw/zinc/96/96/11/614969611.db2.gz MOXQRKVKFVOTJZ-ZBFHGGJFSA-N 2 1 295.471 2.096 20 0 CEADMP CCCC[N@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000982086373 614981814 /nfs/dbraw/zinc/98/18/14/614981814.db2.gz JZYAEOCGSQJOAP-UHFFFAOYSA-N 2 1 295.471 2.053 20 0 CEADMP CC[N@H+]1CCC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833148 615123477 /nfs/dbraw/zinc/12/34/77/615123477.db2.gz KGUOGQBYNZZIRD-MRXNPFEDSA-N 2 1 295.471 2.051 20 0 CEADMP CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947882723 615210722 /nfs/dbraw/zinc/21/07/22/615210722.db2.gz VZAMUDJNPMLBLE-GDBMZVCRSA-N 2 1 295.471 2.096 20 0 CEADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC)CC1(C)C ZINC000941238658 615287818 /nfs/dbraw/zinc/28/78/18/615287818.db2.gz ZKNIUMWPCHUFRC-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941238658 615287819 /nfs/dbraw/zinc/28/78/19/615287819.db2.gz ZKNIUMWPCHUFRC-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C(C)(C)C1 ZINC000941238658 615287821 /nfs/dbraw/zinc/28/78/21/615287821.db2.gz ZKNIUMWPCHUFRC-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000981340351 615438896 /nfs/dbraw/zinc/43/88/96/615438896.db2.gz AGGSMFPNTWIJIW-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)C[NH+]1CCCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000981340351 615438898 /nfs/dbraw/zinc/43/88/98/615438898.db2.gz AGGSMFPNTWIJIW-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)C[NH+]1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000981340351 615438900 /nfs/dbraw/zinc/43/89/00/615438900.db2.gz AGGSMFPNTWIJIW-OAHLLOKOSA-N 2 1 295.471 2.051 20 0 CEADMP CC[C@@H](C)C[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000981387798 615439836 /nfs/dbraw/zinc/43/98/36/615439836.db2.gz SAJWNEJCQPEGCL-CVEARBPZSA-N 2 1 297.487 2.153 20 0 CEADMP CC[C@@H](C)C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000948855146 615442201 /nfs/dbraw/zinc/44/22/01/615442201.db2.gz YTJUQHFYRLMIOU-CVEARBPZSA-N 2 1 295.471 2.051 20 0 CEADMP C[NH+](C)C(C)(C)C[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000892430863 625392474 /nfs/dbraw/zinc/39/24/74/625392474.db2.gz LVADAJZWDLLKND-GXSJLCMTSA-N 2 1 263.223 2.090 20 0 CEADMP CC[N@@H+](CCNC(=[NH2+])NC1CCCCCC1)C(C)C ZINC000092277994 622581801 /nfs/dbraw/zinc/58/18/01/622581801.db2.gz WFUHJUZLRCERGB-UHFFFAOYSA-N 2 1 268.449 2.344 20 0 CEADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000253366728 622717291 /nfs/dbraw/zinc/71/72/91/622717291.db2.gz SIPZEQTWMZAQHO-ZIAGYGMSSA-N 2 1 260.381 2.223 20 0 CEADMP CCC1(CC)[C@H]([NH2+]C2CC[NH+](CCOC)CC2)C[C@@H]1OC ZINC000090461468 622915228 /nfs/dbraw/zinc/91/52/28/622915228.db2.gz JODWDQKVRIPNEX-CVEARBPZSA-N 2 1 298.471 2.281 20 0 CEADMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C(C)C)C1 ZINC001020909767 622921430 /nfs/dbraw/zinc/92/14/30/622921430.db2.gz QEXYUMJZPFXJIY-BZUAXINKSA-N 2 1 295.471 2.286 20 0 CEADMP Cc1cc(N)nc(NC[C@H](c2ccccc2)[NH+](C)C)[nH+]1 ZINC000891450481 623704331 /nfs/dbraw/zinc/70/43/31/623704331.db2.gz LWFWGAMKKCCYPI-CYBMUJFWSA-N 2 1 271.368 2.082 20 0 CEADMP CNc1cc(NC[C@@H](Cc2ccccc2)[NH+](C)C)nc[nH+]1 ZINC000891498704 623747105 /nfs/dbraw/zinc/74/71/05/623747105.db2.gz LOTXGSJOWYHUBZ-CQSZACIVSA-N 2 1 285.395 2.103 20 0 CEADMP Cc1cc(N)nc(NCCC[N@@H+]2CCCC[C@@H]2C)[nH+]1 ZINC000891573913 623797245 /nfs/dbraw/zinc/79/72/45/623797245.db2.gz UVWMKCNWDQKKOW-LBPRGKRZSA-N 2 1 263.389 2.044 20 0 CEADMP Cc1cc(N)nc(NCCC[N@@H+]2CCCC[C@H]2C)[nH+]1 ZINC000891573912 623797724 /nfs/dbraw/zinc/79/77/24/623797724.db2.gz UVWMKCNWDQKKOW-GFCCVEGCSA-N 2 1 263.389 2.044 20 0 CEADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cnn(C2CCC2)c1 ZINC000926202462 623842190 /nfs/dbraw/zinc/84/21/90/623842190.db2.gz CIAMCJCTKMWIBB-LBPRGKRZSA-N 2 1 273.384 2.235 20 0 CEADMP C[C@@H](O)C[N@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000891721806 623927715 /nfs/dbraw/zinc/92/77/15/623927715.db2.gz FZNYITJDTCWWNF-OAHLLOKOSA-N 2 1 276.424 2.211 20 0 CEADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000933624269 623929561 /nfs/dbraw/zinc/92/95/61/623929561.db2.gz WAJVVBUFAKOHNP-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000933624269 623929565 /nfs/dbraw/zinc/92/95/65/623929565.db2.gz WAJVVBUFAKOHNP-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000933624269 623929568 /nfs/dbraw/zinc/92/95/68/623929568.db2.gz WAJVVBUFAKOHNP-HZPDHXFCSA-N 2 1 295.471 2.192 20 0 CEADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933737184 623985971 /nfs/dbraw/zinc/98/59/71/623985971.db2.gz LIJUYNZIOOJZSI-KBMXLJTQSA-N 2 1 294.826 2.257 20 0 CEADMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933737184 623985973 /nfs/dbraw/zinc/98/59/73/623985973.db2.gz LIJUYNZIOOJZSI-KBMXLJTQSA-N 2 1 294.826 2.257 20 0 CEADMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933737184 623985975 /nfs/dbraw/zinc/98/59/75/623985975.db2.gz LIJUYNZIOOJZSI-KBMXLJTQSA-N 2 1 294.826 2.257 20 0 CEADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933737184 623985978 /nfs/dbraw/zinc/98/59/78/623985978.db2.gz LIJUYNZIOOJZSI-KBMXLJTQSA-N 2 1 294.826 2.257 20 0 CEADMP C[C@@H]1CCC[N@@H+](CCNc2cc(N)[nH+]cc2Cl)C1 ZINC000891837484 624011803 /nfs/dbraw/zinc/01/18/03/624011803.db2.gz GWAADIVSLWWXOJ-SNVBAGLBSA-N 2 1 268.792 2.461 20 0 CEADMP COc1ccc2[nH+]ccc(N[C@@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000892000909 624241975 /nfs/dbraw/zinc/24/19/75/624241975.db2.gz WGUFAVIOEPWIJB-GFCCVEGCSA-N 2 1 283.375 2.314 20 0 CEADMP CC[N@@H+](CCc1nccs1)CC1CC[NH+](C)CC1 ZINC000892138203 624346577 /nfs/dbraw/zinc/34/65/77/624346577.db2.gz DQMWTIBUBVSPBS-UHFFFAOYSA-N 2 1 267.442 2.349 20 0 CEADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(OC)o2)C1 ZINC000892146880 624353491 /nfs/dbraw/zinc/35/34/91/624353491.db2.gz ZTUHMWQSCQEPIY-AWEZNQCLSA-N 2 1 296.411 2.221 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000161462711 624728625 /nfs/dbraw/zinc/72/86/25/624728625.db2.gz PPSUJWWTHGEADJ-OAHLLOKOSA-N 2 1 296.455 2.382 20 0 CEADMP CC(C)NC(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000052042665 624741823 /nfs/dbraw/zinc/74/18/23/624741823.db2.gz QTQOEBIMIMQPNR-UHFFFAOYSA-N 2 1 254.422 2.163 20 0 CEADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@](C)(O)c2ccco2)CC1 ZINC000177891459 625909159 /nfs/dbraw/zinc/90/91/59/625909159.db2.gz VRTGEVMTACVNGV-INIZCTEOSA-N 2 1 280.412 2.340 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC2(C1)CCOCC2 ZINC000310741931 625930835 /nfs/dbraw/zinc/93/08/35/625930835.db2.gz HLBYFGNGZBJMEW-UHFFFAOYSA-N 2 1 254.418 2.398 20 0 CEADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)ccn1 ZINC000820807047 634533682 /nfs/dbraw/zinc/53/36/82/634533682.db2.gz XVKLSYDJSYZHQO-VHRNVKJDSA-N 2 1 287.407 2.338 20 0 CEADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)ccn1 ZINC000820807047 634533686 /nfs/dbraw/zinc/53/36/86/634533686.db2.gz XVKLSYDJSYZHQO-VHRNVKJDSA-N 2 1 287.407 2.338 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(-n2cnnc2)c1 ZINC000820809433 634535559 /nfs/dbraw/zinc/53/55/59/634535559.db2.gz AOQAJKPGOMGTET-LSDHHAIUSA-N 2 1 299.422 2.260 20 0 CEADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CCCO)C1 ZINC000820810486 634536927 /nfs/dbraw/zinc/53/69/27/634536927.db2.gz XSOIMNAMRCUPRR-OWCLPIDISA-N 2 1 268.445 2.249 20 0 CEADMP CC[C@@H](C)[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000820810427 634537015 /nfs/dbraw/zinc/53/70/15/634537015.db2.gz WPPUABLAURXWOF-ZCRFILTFSA-N 2 1 298.471 2.015 20 0 CEADMP COC1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000892586740 627292724 /nfs/dbraw/zinc/29/27/24/627292724.db2.gz NSGFZHMIIOIZBQ-QDIHITRGSA-N 2 1 266.429 2.408 20 0 CEADMP COC1CCC(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000892586740 627292729 /nfs/dbraw/zinc/29/27/29/627292729.db2.gz NSGFZHMIIOIZBQ-QDIHITRGSA-N 2 1 266.429 2.408 20 0 CEADMP OCc1c[nH+]ccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000892624430 627320657 /nfs/dbraw/zinc/32/06/57/627320657.db2.gz SQDPHQZRFUGQDY-UHFFFAOYSA-N 2 1 275.396 2.029 20 0 CEADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)(C)O ZINC000393968825 627340205 /nfs/dbraw/zinc/34/02/05/627340205.db2.gz CFGIXPDDJLSRJK-OAHLLOKOSA-N 2 1 290.451 2.443 20 0 CEADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000892669129 627378814 /nfs/dbraw/zinc/37/88/14/627378814.db2.gz VXLAVXGRRZFILG-GFCCVEGCSA-N 2 1 278.425 2.217 20 0 CEADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000892669129 627378820 /nfs/dbraw/zinc/37/88/20/627378820.db2.gz VXLAVXGRRZFILG-GFCCVEGCSA-N 2 1 278.425 2.217 20 0 CEADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000892669570 627379405 /nfs/dbraw/zinc/37/94/05/627379405.db2.gz URJSYTTZFQVZBU-DQIHPLBOSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892669570 627379409 /nfs/dbraw/zinc/37/94/09/627379409.db2.gz URJSYTTZFQVZBU-DQIHPLBOSA-N 2 1 279.472 2.322 20 0 CEADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892669570 627379410 /nfs/dbraw/zinc/37/94/10/627379410.db2.gz URJSYTTZFQVZBU-DQIHPLBOSA-N 2 1 279.472 2.322 20 0 CEADMP Cc1[nH+]ccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1Br ZINC000892673074 627387607 /nfs/dbraw/zinc/38/76/07/627387607.db2.gz FPQDAFGIXMRDSI-KOLCDFICSA-N 2 1 298.228 2.469 20 0 CEADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CCCC2)CC1 ZINC000311465203 627665847 /nfs/dbraw/zinc/66/58/47/627665847.db2.gz MXNMDPNNDRDEQB-OAHLLOKOSA-N 2 1 268.445 2.344 20 0 CEADMP CN(C)C1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCCC1 ZINC000902333115 634593774 /nfs/dbraw/zinc/59/37/74/634593774.db2.gz JPCMLYXHECRGFF-AWEZNQCLSA-N 2 1 267.461 2.229 20 0 CEADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)c(C)n1 ZINC000892746239 627745664 /nfs/dbraw/zinc/74/56/64/627745664.db2.gz VWJJFERABMJPCO-AWEZNQCLSA-N 2 1 264.417 2.033 20 0 CEADMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)c(C)n1 ZINC000892746239 627745672 /nfs/dbraw/zinc/74/56/72/627745672.db2.gz VWJJFERABMJPCO-AWEZNQCLSA-N 2 1 264.417 2.033 20 0 CEADMP C[C@H]([NH2+][C@H]1CCN(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309723740 627792484 /nfs/dbraw/zinc/79/24/84/627792484.db2.gz OUQNWXCDRARZNQ-SZMVWBNQSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H](N[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000309723740 627792488 /nfs/dbraw/zinc/79/24/88/627792488.db2.gz OUQNWXCDRARZNQ-SZMVWBNQSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H](N[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000309723740 627792491 /nfs/dbraw/zinc/79/24/91/627792491.db2.gz OUQNWXCDRARZNQ-SZMVWBNQSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H](N[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309723740 627792495 /nfs/dbraw/zinc/79/24/95/627792495.db2.gz OUQNWXCDRARZNQ-SZMVWBNQSA-N 2 1 287.451 2.191 20 0 CEADMP C[C@H](N[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309723740 627792497 /nfs/dbraw/zinc/79/24/97/627792497.db2.gz OUQNWXCDRARZNQ-SZMVWBNQSA-N 2 1 287.451 2.191 20 0 CEADMP CC1(C)CCC[N@@H+](CCN[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902374858 634606108 /nfs/dbraw/zinc/60/61/08/634606108.db2.gz DWQWYFTVGLMGOB-OAHLLOKOSA-N 2 1 281.488 2.476 20 0 CEADMP CC1(C)CCCN(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902374858 634606110 /nfs/dbraw/zinc/60/61/10/634606110.db2.gz DWQWYFTVGLMGOB-OAHLLOKOSA-N 2 1 281.488 2.476 20 0 CEADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000119648477 627947836 /nfs/dbraw/zinc/94/78/36/627947836.db2.gz IDYWVLKTAXYKPZ-QGZVFWFLSA-N 2 1 279.472 2.350 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007746953 627953143 /nfs/dbraw/zinc/95/31/43/627953143.db2.gz OQVXQAHWPOOTCZ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007746953 627953144 /nfs/dbraw/zinc/95/31/44/627953144.db2.gz OQVXQAHWPOOTCZ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007746953 627953146 /nfs/dbraw/zinc/95/31/46/627953146.db2.gz OQVXQAHWPOOTCZ-JKSUJKDBSA-N 2 1 295.471 2.097 20 0 CEADMP c1ccc2c(c1)CCN2CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925516914 628059992 /nfs/dbraw/zinc/05/99/92/628059992.db2.gz JWVNAQQMLVKLCW-KRWDZBQOSA-N 2 1 285.435 2.313 20 0 CEADMP C[C@H](CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000725888534 628077206 /nfs/dbraw/zinc/07/72/06/628077206.db2.gz JDGUNKFLQWTALH-QXSJWSMHSA-N 2 1 295.471 2.238 20 0 CEADMP CC1(C)C[NH2+]CC[C@H](NCc2ccc3c[nH+]cn3c2)C1 ZINC000902390265 634630637 /nfs/dbraw/zinc/63/06/37/634630637.db2.gz IQCZVANFEVMMJK-AWEZNQCLSA-N 2 1 272.396 2.202 20 0 CEADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@H]1OC ZINC000893200467 628123165 /nfs/dbraw/zinc/12/31/65/628123165.db2.gz PLUBCKJLKZVBOP-YLFCFFPRSA-N 2 1 298.471 2.136 20 0 CEADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000902392893 634632550 /nfs/dbraw/zinc/63/25/50/634632550.db2.gz LVKHXQUMHFCOGV-UONOGXRCSA-N 3 1 265.445 2.029 20 0 CEADMP C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C[N@H+]1C1CC1 ZINC000925542075 628172318 /nfs/dbraw/zinc/17/23/18/628172318.db2.gz NDQBHDCPDNDLJY-MQYQWHSLSA-N 2 1 265.445 2.107 20 0 CEADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CN1C1CC1 ZINC000925542075 628172322 /nfs/dbraw/zinc/17/23/22/628172322.db2.gz NDQBHDCPDNDLJY-MQYQWHSLSA-N 2 1 265.445 2.107 20 0 CEADMP Cc1ccc(OCCC[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000925550985 628199545 /nfs/dbraw/zinc/19/95/45/628199545.db2.gz OTCYWWSRTIFUBD-GOEBONIOSA-N 2 1 262.397 2.494 20 0 CEADMP CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000312317515 628225830 /nfs/dbraw/zinc/22/58/30/628225830.db2.gz GTMUCQJTADXCLB-NEPJUHHUSA-N 2 1 294.361 2.106 20 0 CEADMP CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000312317515 628225835 /nfs/dbraw/zinc/22/58/35/628225835.db2.gz GTMUCQJTADXCLB-NEPJUHHUSA-N 2 1 294.361 2.106 20 0 CEADMP C1CCC([C@@H]2C[NH2+]CC[C@@H]2N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000925559813 628226996 /nfs/dbraw/zinc/22/69/96/628226996.db2.gz CSAFDCVOTQOQCP-OWSLCNJRSA-N 2 1 291.483 2.371 20 0 CEADMP C1CCC([C@@H]2C[NH2+]CC[C@@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000925559813 628227000 /nfs/dbraw/zinc/22/70/00/628227000.db2.gz CSAFDCVOTQOQCP-OWSLCNJRSA-N 3 1 291.483 2.371 20 0 CEADMP C1CCC([C@@H]2C[NH2+]CC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000925559813 628227005 /nfs/dbraw/zinc/22/70/05/628227005.db2.gz CSAFDCVOTQOQCP-OWSLCNJRSA-N 3 1 291.483 2.371 20 0 CEADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925574039 628249884 /nfs/dbraw/zinc/24/98/84/628249884.db2.gz RCSQWEUWPUFYSW-UGFHNGPFSA-N 2 1 280.387 2.368 20 0 CEADMP [NH3+]C1(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC1 ZINC000902415321 634641696 /nfs/dbraw/zinc/64/16/96/634641696.db2.gz DNVWTMVDTHZUCG-UHFFFAOYSA-N 2 1 281.350 2.015 20 0 CEADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC000925586807 628265495 /nfs/dbraw/zinc/26/54/95/628265495.db2.gz FQWKPOKXASKNJT-HUUCEWRRSA-N 2 1 270.461 2.351 20 0 CEADMP CC1(C)C[C@@H](N[C@@H]2CCCc3c[nH]nc32)C[C@@H]([NH3+])C1 ZINC000925592822 628273519 /nfs/dbraw/zinc/27/35/19/628273519.db2.gz HXXZAXVBUOVAEL-FRRDWIJNSA-N 2 1 262.401 2.283 20 0 CEADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCCc3c[nH]nc32)C[C@@H]([NH3+])C1 ZINC000925592822 628273521 /nfs/dbraw/zinc/27/35/21/628273521.db2.gz HXXZAXVBUOVAEL-FRRDWIJNSA-N 2 1 262.401 2.283 20 0 CEADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCc1cccc(F)c1F ZINC000925599025 628277887 /nfs/dbraw/zinc/27/78/87/628277887.db2.gz WCSLSIXZLWBRGJ-ZWNOBZJWSA-N 2 1 254.324 2.237 20 0 CEADMP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925601455 628280727 /nfs/dbraw/zinc/28/07/27/628280727.db2.gz ZQDLSRVYXYBHLY-RRFJBIMHSA-N 2 1 260.381 2.234 20 0 CEADMP CCCOc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000925609417 628291686 /nfs/dbraw/zinc/29/16/86/628291686.db2.gz UAJKVTDFYCNAIY-UONOGXRCSA-N 2 1 275.396 2.230 20 0 CEADMP C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925613435 628296733 /nfs/dbraw/zinc/29/67/33/628296733.db2.gz DAICVPPVGVSSEM-NFAWXSAZSA-N 2 1 278.396 2.356 20 0 CEADMP CCOc1cccc(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925615488 628299274 /nfs/dbraw/zinc/29/92/74/628299274.db2.gz HRZXAYHQPAWVGX-CJNGLKHVSA-N 2 1 262.397 2.358 20 0 CEADMP C[C@@H]([NH3+])[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000925630455 628325713 /nfs/dbraw/zinc/32/57/13/628325713.db2.gz BTAHHLSSGIZCCB-GDBMZVCRSA-N 3 1 275.440 2.396 20 0 CEADMP C[C@@H]([NH3+])[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000925630455 628325716 /nfs/dbraw/zinc/32/57/16/628325716.db2.gz BTAHHLSSGIZCCB-GDBMZVCRSA-N 2 1 275.440 2.396 20 0 CEADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)C1CCOCC1 ZINC000902428812 634650026 /nfs/dbraw/zinc/65/00/26/634650026.db2.gz ARACCLGCOLBBSM-JSGCOSHPSA-N 2 1 254.418 2.169 20 0 CEADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925693538 628514493 /nfs/dbraw/zinc/51/44/93/628514493.db2.gz PMNMXPQTZOYERF-BYNSBNAKSA-N 2 1 254.418 2.155 20 0 CEADMP C[N@@H+]1C[C@]2(C)C[NH+](CC[C@H](O)c3ccccc3)C[C@]2(C)C1 ZINC000931314008 628515357 /nfs/dbraw/zinc/51/53/57/628515357.db2.gz IEWXNEFSXXKQQS-OKZBNKHCSA-N 2 1 288.435 2.384 20 0 CEADMP C[N@H+]1C[C@]2(C)C[NH+](CC[C@H](O)c3ccccc3)C[C@]2(C)C1 ZINC000931314008 628515359 /nfs/dbraw/zinc/51/53/59/628515359.db2.gz IEWXNEFSXXKQQS-OKZBNKHCSA-N 2 1 288.435 2.384 20 0 CEADMP C[NH+]1C[C@]2(C)C[N@H+](CC[C@H](O)c3ccccc3)C[C@]2(C)C1 ZINC000931314008 628515362 /nfs/dbraw/zinc/51/53/62/628515362.db2.gz IEWXNEFSXXKQQS-OKZBNKHCSA-N 2 1 288.435 2.384 20 0 CEADMP C[NH+]1C[C@]2(C)C[N@@H+](CC[C@H](O)c3ccccc3)C[C@]2(C)C1 ZINC000931314008 628515365 /nfs/dbraw/zinc/51/53/65/628515365.db2.gz IEWXNEFSXXKQQS-OKZBNKHCSA-N 2 1 288.435 2.384 20 0 CEADMP C[N@H+]1C[C@@]2(C)CN(C[C@@H]3CC4(CCC4)CO3)C[C@@]2(C)C1 ZINC000931316015 628516572 /nfs/dbraw/zinc/51/65/72/628516572.db2.gz FUZDPSZRLPGVQE-HRCADAONSA-N 2 1 278.440 2.219 20 0 CEADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3N)CC[C@H]21 ZINC000227327520 628539534 /nfs/dbraw/zinc/53/95/34/628539534.db2.gz CPMMVTKTMHBLCR-SWLSCSKDSA-N 2 1 277.387 2.324 20 0 CEADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3N)CC[C@H]21 ZINC000227327520 628539536 /nfs/dbraw/zinc/53/95/36/628539536.db2.gz CPMMVTKTMHBLCR-SWLSCSKDSA-N 2 1 277.387 2.324 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(F)c3N)CC[C@H]21 ZINC000227327520 628539539 /nfs/dbraw/zinc/53/95/39/628539539.db2.gz CPMMVTKTMHBLCR-SWLSCSKDSA-N 2 1 277.387 2.324 20 0 CEADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3N)CC[C@H]21 ZINC000227327520 628539540 /nfs/dbraw/zinc/53/95/40/628539540.db2.gz CPMMVTKTMHBLCR-SWLSCSKDSA-N 2 1 277.387 2.324 20 0 CEADMP COc1c(C)cccc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925701786 628540763 /nfs/dbraw/zinc/54/07/63/628540763.db2.gz FMYSLJZNGRDOHY-UONOGXRCSA-N 2 1 260.381 2.363 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000925704280 628547422 /nfs/dbraw/zinc/54/74/22/628547422.db2.gz FPOAIQRDINGNHL-HZPDHXFCSA-N 2 1 264.413 2.043 20 0 CEADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925705321 628551240 /nfs/dbraw/zinc/55/12/40/628551240.db2.gz BCKJWUWMDURGSF-COWFOASNSA-N 2 1 268.404 2.437 20 0 CEADMP C[C@H]1C[C@H](NCC2([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000902415183 634664571 /nfs/dbraw/zinc/66/45/71/634664571.db2.gz COVHJKXTGJIZMZ-GOEBONIOSA-N 2 1 273.424 2.120 20 0 CEADMP Cn1ncc(C2CC2)c1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925710621 628558273 /nfs/dbraw/zinc/55/82/73/628558273.db2.gz QFUMXDNYUIDGTR-KCXAZCMYSA-N 2 1 288.439 2.164 20 0 CEADMP Cc1ncccc1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925716639 628578478 /nfs/dbraw/zinc/57/84/78/628578478.db2.gz FLILAFASALSROP-ILXRZTDVSA-N 2 1 259.397 2.256 20 0 CEADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)cc3F)C[C@@H]2C1 ZINC000931435554 628579029 /nfs/dbraw/zinc/57/90/29/628579029.db2.gz LCXASOYRTSDXHH-YPMHNXCESA-N 2 1 266.335 2.348 20 0 CEADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)cc3F)C[C@@H]2C1 ZINC000931435554 628579030 /nfs/dbraw/zinc/57/90/30/628579030.db2.gz LCXASOYRTSDXHH-YPMHNXCESA-N 2 1 266.335 2.348 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3F)C[C@@H]2C1 ZINC000931435554 628579033 /nfs/dbraw/zinc/57/90/33/628579033.db2.gz LCXASOYRTSDXHH-YPMHNXCESA-N 2 1 266.335 2.348 20 0 CEADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@@H]2C1 ZINC000931435554 628579034 /nfs/dbraw/zinc/57/90/34/628579034.db2.gz LCXASOYRTSDXHH-YPMHNXCESA-N 2 1 266.335 2.348 20 0 CEADMP COc1ccc(F)c(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925721917 628589565 /nfs/dbraw/zinc/58/95/65/628589565.db2.gz RLWWWEZSCDWVER-KGLIPLIRSA-N 2 1 264.344 2.194 20 0 CEADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cnn(CCF)c1 ZINC000902447630 634670105 /nfs/dbraw/zinc/67/01/05/634670105.db2.gz UMQYQCYBUZJKHR-HIFRSBDPSA-N 2 1 282.407 2.253 20 0 CEADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902446837 634670593 /nfs/dbraw/zinc/67/05/93/634670593.db2.gz VLCCCCLIITYQCD-BXUZGUMPSA-N 2 1 250.361 2.344 20 0 CEADMP C[C@@H]([NH3+])[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000925727778 628646856 /nfs/dbraw/zinc/64/68/56/628646856.db2.gz HXJSLWPSJVLYAH-WWGRRREGSA-N 3 1 261.413 2.053 20 0 CEADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902448683 634672219 /nfs/dbraw/zinc/67/22/19/634672219.db2.gz GVUWSNSRQKXSOO-BLLLJJGKSA-N 2 1 286.423 2.472 20 0 CEADMP Nc1ccnc2c1C[N@@H+](CCc1ccccc1F)CC2 ZINC000931517738 628654911 /nfs/dbraw/zinc/65/49/11/628654911.db2.gz DQSAZFZPMFVWTO-UHFFFAOYSA-N 2 1 271.339 2.404 20 0 CEADMP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000902452088 634674147 /nfs/dbraw/zinc/67/41/47/634674147.db2.gz ZMXUPNUDXYFMFY-HYVNUMGLSA-N 2 1 287.451 2.237 20 0 CEADMP CC1(C)CC[N@@H+](CCN[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902458987 634679482 /nfs/dbraw/zinc/67/94/82/634679482.db2.gz ZURPAPWXFUPROL-CQSZACIVSA-N 2 1 267.461 2.086 20 0 CEADMP CC1(C)CCN(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902458987 634679484 /nfs/dbraw/zinc/67/94/84/634679484.db2.gz ZURPAPWXFUPROL-CQSZACIVSA-N 2 1 267.461 2.086 20 0 CEADMP [NH3+]CCCOC1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000094072473 628753241 /nfs/dbraw/zinc/75/32/41/628753241.db2.gz VWFKNLRIHIAWJO-UHFFFAOYSA-N 2 1 283.803 2.065 20 0 CEADMP CCC1([NH+]2CCCCC2)CC[NH+](C(COC)COC)CC1 ZINC000931686095 628777858 /nfs/dbraw/zinc/77/78/58/628777858.db2.gz JPNAPXBCUFXIAE-UHFFFAOYSA-N 2 1 298.471 2.378 20 0 CEADMP COC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)cc1 ZINC000925786851 628827875 /nfs/dbraw/zinc/82/78/75/628827875.db2.gz WAPPZJUORARSGE-ZLDLUXBVSA-N 2 1 282.815 2.473 20 0 CEADMP C(CCN[C@@H]1CC[NH2+]C12CCC2)CCC1CC[NH2+]CC1 ZINC000925806722 628858420 /nfs/dbraw/zinc/85/84/20/628858420.db2.gz GXVDKDDIQRYYGK-MRXNPFEDSA-N 2 1 279.472 2.421 20 0 CEADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1(C)C ZINC000902466192 634684289 /nfs/dbraw/zinc/68/42/89/634684289.db2.gz JUCBUNCZMBHHOZ-XHJNMGKDSA-N 2 1 252.402 2.061 20 0 CEADMP Nc1nc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cs1 ZINC000902499364 634692437 /nfs/dbraw/zinc/69/24/37/634692437.db2.gz JJLJHZALKGZVSS-ZDUSSCGKSA-N 2 1 276.409 2.295 20 0 CEADMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cccs1 ZINC000925849909 628953647 /nfs/dbraw/zinc/95/36/47/628953647.db2.gz SCCJFFLRIBQUKB-AWEZNQCLSA-N 2 1 281.469 2.474 20 0 CEADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000821362003 634696391 /nfs/dbraw/zinc/69/63/91/634696391.db2.gz BKEZFCJJFNATDZ-HNNXBMFYSA-N 2 1 282.428 2.136 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000925860892 628961875 /nfs/dbraw/zinc/96/18/75/628961875.db2.gz LOVQJYUOHFRUTP-UPJWGTAASA-N 2 1 254.443 2.392 20 0 CEADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CCCCCCC1 ZINC000821362573 634696690 /nfs/dbraw/zinc/69/66/90/634696690.db2.gz LOMJRFDOKWRLFU-OAHLLOKOSA-N 2 1 256.434 2.344 20 0 CEADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCCCCCC1 ZINC000821362573 634696695 /nfs/dbraw/zinc/69/66/95/634696695.db2.gz LOMJRFDOKWRLFU-OAHLLOKOSA-N 2 1 256.434 2.344 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CCCCCCC1 ZINC000821362573 634696701 /nfs/dbraw/zinc/69/67/01/634696701.db2.gz LOMJRFDOKWRLFU-OAHLLOKOSA-N 2 1 256.434 2.344 20 0 CEADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCCCCCC1 ZINC000821362573 634696704 /nfs/dbraw/zinc/69/67/04/634696704.db2.gz LOMJRFDOKWRLFU-OAHLLOKOSA-N 2 1 256.434 2.344 20 0 CEADMP Cc1cc(F)c(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(F)c1 ZINC000925873678 628972576 /nfs/dbraw/zinc/97/25/76/628972576.db2.gz CBUMKGNUSKERIA-YGRLFVJLSA-N 2 1 254.324 2.490 20 0 CEADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000925880002 628979245 /nfs/dbraw/zinc/97/92/45/628979245.db2.gz FVGYSRVUWWOTHI-XYPHTWIQSA-N 2 1 274.408 2.278 20 0 CEADMP CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000893874602 629025894 /nfs/dbraw/zinc/02/58/94/629025894.db2.gz KGOCVUPASAAHNE-ZDUSSCGKSA-N 2 1 294.361 2.372 20 0 CEADMP CCn1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(C)n1 ZINC000894000362 629081592 /nfs/dbraw/zinc/08/15/92/629081592.db2.gz REEHPIDJJKLBER-UHFFFAOYSA-N 2 1 278.444 2.423 20 0 CEADMP CC(=O)OC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000894133429 629157683 /nfs/dbraw/zinc/15/76/83/629157683.db2.gz AQDLKQZOOVIRFD-YOEHRIQHSA-N 2 1 290.407 2.050 20 0 CEADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000878166899 629223335 /nfs/dbraw/zinc/22/33/35/629223335.db2.gz JCHCVJIPNGJOBY-LSDHHAIUSA-N 2 1 268.445 2.465 20 0 CEADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000878166899 629223336 /nfs/dbraw/zinc/22/33/36/629223336.db2.gz JCHCVJIPNGJOBY-LSDHHAIUSA-N 2 1 268.445 2.465 20 0 CEADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000894242157 629248715 /nfs/dbraw/zinc/24/87/15/629248715.db2.gz TYAGVXGXCVKMDX-ZIAGYGMSSA-N 2 1 254.418 2.121 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000924986286 629322394 /nfs/dbraw/zinc/32/23/94/629322394.db2.gz JCOASBVVNNRRDG-MNTYIPCHSA-N 2 1 285.435 2.195 20 0 CEADMP Cc1ccc(CC[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000894376255 629407663 /nfs/dbraw/zinc/40/76/63/629407663.db2.gz RHNRMEONRQVYLI-UHFFFAOYSA-N 2 1 289.467 2.155 20 0 CEADMP CC[C@@H]1C[C@H]1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000902612672 634743793 /nfs/dbraw/zinc/74/37/93/634743793.db2.gz LSDRYKMGKPXVSS-IUKMKKQMSA-N 2 1 265.401 2.404 20 0 CEADMP CC[C@@H]1C[C@H]1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000902612672 634743797 /nfs/dbraw/zinc/74/37/97/634743797.db2.gz LSDRYKMGKPXVSS-IUKMKKQMSA-N 2 1 265.401 2.404 20 0 CEADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(C)nc1C1CC1 ZINC000894475661 629483605 /nfs/dbraw/zinc/48/36/05/629483605.db2.gz HEMAOWMWJLEXAO-UHFFFAOYSA-N 2 1 287.411 2.325 20 0 CEADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(C)nc1C1CC1 ZINC000894475661 629483613 /nfs/dbraw/zinc/48/36/13/629483613.db2.gz HEMAOWMWJLEXAO-UHFFFAOYSA-N 2 1 287.411 2.325 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)CC1 ZINC000894581277 629544265 /nfs/dbraw/zinc/54/42/65/629544265.db2.gz NJFNOBPKYRVIIH-QWHCGFSZSA-N 2 1 258.356 2.305 20 0 CEADMP CCC[N@H+](CC)CC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795937479 629717284 /nfs/dbraw/zinc/71/72/84/629717284.db2.gz YCRXUUPLICXXHQ-UHFFFAOYSA-N 2 1 284.444 2.241 20 0 CEADMP CCC[N@@H+](CC)CC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795937479 629717288 /nfs/dbraw/zinc/71/72/88/629717288.db2.gz YCRXUUPLICXXHQ-UHFFFAOYSA-N 2 1 284.444 2.241 20 0 CEADMP CC(C)[N@@H+]1CC[C@@H](CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000796282421 629831672 /nfs/dbraw/zinc/83/16/72/629831672.db2.gz LJTAAXVPWQWRLD-ZDUSSCGKSA-N 2 1 296.484 2.025 20 0 CEADMP CC(C)[N@H+]1CC[C@@H](CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000796282421 629831676 /nfs/dbraw/zinc/83/16/76/629831676.db2.gz LJTAAXVPWQWRLD-ZDUSSCGKSA-N 2 1 296.484 2.025 20 0 CEADMP C[NH+]1CCC(C[N@H+]2CCC[C@]3(CC3(F)F)C2)CC1 ZINC000895179891 630012909 /nfs/dbraw/zinc/01/29/09/630012909.db2.gz IFTJOTMWOQLKGO-ZDUSSCGKSA-N 2 1 258.356 2.449 20 0 CEADMP C[C@H](CC[NH2+]Cc1cccc(Cl)c1N)[NH+](C)C ZINC000895291014 630081611 /nfs/dbraw/zinc/08/16/11/630081611.db2.gz XUGACRXLRGPPHJ-SNVBAGLBSA-N 2 1 255.793 2.352 20 0 CEADMP Cc1cccn2c(C[NH2+]CC[C@H](C)[NH+](C)C)cnc12 ZINC000895298213 630087266 /nfs/dbraw/zinc/08/72/66/630087266.db2.gz VHTIFOJEWREEQY-ZDUSSCGKSA-N 2 1 260.385 2.073 20 0 CEADMP C[C@H](CCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000895296319 630088583 /nfs/dbraw/zinc/08/85/83/630088583.db2.gz GCEWIMMGQFPZAW-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP C[C@H](CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000895296319 630088586 /nfs/dbraw/zinc/08/85/86/630088586.db2.gz GCEWIMMGQFPZAW-JFIYKMOQSA-N 2 1 289.467 2.437 20 0 CEADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H](O)c2ccc(C)cc2)CC1 ZINC000797060305 630122475 /nfs/dbraw/zinc/12/24/75/630122475.db2.gz LRGUYAKOKWKYRQ-YOEHRIQHSA-N 2 1 276.424 2.491 20 0 CEADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000797113580 630137369 /nfs/dbraw/zinc/13/73/69/630137369.db2.gz DGZMPWPQWLXIGD-KKUMJFAQSA-N 2 1 254.418 2.266 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000797113580 630137377 /nfs/dbraw/zinc/13/73/77/630137377.db2.gz DGZMPWPQWLXIGD-KKUMJFAQSA-N 2 1 254.418 2.266 20 0 CEADMP CCn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cn1 ZINC000895377551 630148986 /nfs/dbraw/zinc/14/89/86/630148986.db2.gz MBEKTKZOZHFPNZ-GOEBONIOSA-N 2 1 278.444 2.455 20 0 CEADMP CCn1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cn1 ZINC000895377551 630148990 /nfs/dbraw/zinc/14/89/90/630148990.db2.gz MBEKTKZOZHFPNZ-GOEBONIOSA-N 2 1 278.444 2.455 20 0 CEADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000895376181 630151733 /nfs/dbraw/zinc/15/17/33/630151733.db2.gz FEEUDIDOHFRQJO-GOEBONIOSA-N 2 1 266.429 2.385 20 0 CEADMP C[C@H]1C[N@@H+](C[C@@H]2CCC=CO2)CCN1c1cc[nH+]cc1 ZINC000895556939 630248325 /nfs/dbraw/zinc/24/83/25/630248325.db2.gz NOMSMHFMERCHSH-HOCLYGCPSA-N 2 1 273.380 2.285 20 0 CEADMP Cn1cc(CNC[C@H]2CCCC[N@@H+](C)C2)c(C2CC2)n1 ZINC000895587311 630261956 /nfs/dbraw/zinc/26/19/56/630261956.db2.gz OKDGNBVGBRHETB-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C2CC2)n1 ZINC000895587311 630261958 /nfs/dbraw/zinc/26/19/58/630261958.db2.gz OKDGNBVGBRHETB-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C2CC2)n1 ZINC000895587311 630261960 /nfs/dbraw/zinc/26/19/60/630261960.db2.gz OKDGNBVGBRHETB-CYBMUJFWSA-N 2 1 276.428 2.119 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)n(-c2ccncc2)n1 ZINC000895847261 630374623 /nfs/dbraw/zinc/37/46/23/630374623.db2.gz YSGXXXMFEKQUJE-RHSMWYFYSA-N 2 1 298.390 2.268 20 0 CEADMP c1cc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)n(-c2cc[nH+]cc2)n1 ZINC000895847261 630374627 /nfs/dbraw/zinc/37/46/27/630374627.db2.gz YSGXXXMFEKQUJE-RHSMWYFYSA-N 2 1 298.390 2.268 20 0 CEADMP CCO[C@@H](C[NH2+]C[C@@H]1CCc2ccccc2C1)C[NH+](C)C ZINC000896876365 630697938 /nfs/dbraw/zinc/69/79/38/630697938.db2.gz DPZAVOJRDZORPC-QAPCUYQASA-N 2 1 290.451 2.348 20 0 CEADMP CCO[C@H](C[NH2+]C[C@H]1C[C@@H]1c1ccccc1)C[NH+](C)C ZINC000896879842 630699151 /nfs/dbraw/zinc/69/91/51/630699151.db2.gz ICNGTNDZRLQTNK-BRWVUGGUSA-N 2 1 276.424 2.346 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCCO3)CC[C@H]1[NH3+] ZINC000904300098 635554295 /nfs/dbraw/zinc/55/42/95/635554295.db2.gz WAFYLVCRFQWTBJ-IUODEOHRSA-N 2 1 260.381 2.181 20 0 CEADMP CC(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000985502369 631111702 /nfs/dbraw/zinc/11/17/02/631111702.db2.gz PYAZIYOTCRTQES-INIZCTEOSA-N 2 1 295.471 2.050 20 0 CEADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](O)c1ccc(F)cc1 ZINC000305315936 631113113 /nfs/dbraw/zinc/11/31/13/631113113.db2.gz KIPABUPRJAWQJN-DXEWXGHRSA-N 2 1 292.398 2.464 20 0 CEADMP CCC1(CC)CNC(=O)[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000897345728 631150690 /nfs/dbraw/zinc/15/06/90/631150690.db2.gz NPGZQXJDFQMLLT-AWEZNQCLSA-N 2 1 295.471 2.144 20 0 CEADMP CC[C@@H](C[C@H](C)CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925187751 631160422 /nfs/dbraw/zinc/16/04/22/631160422.db2.gz NFGPTAJBIPCXJM-ZSNVMCELSA-N 2 1 298.471 2.015 20 0 CEADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOCc1ccccc1 ZINC000925203471 631172658 /nfs/dbraw/zinc/17/26/58/631172658.db2.gz BKPLGYHOPPTVEU-SJPCQFCGSA-N 2 1 274.408 2.133 20 0 CEADMP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1F ZINC000904420929 635633157 /nfs/dbraw/zinc/63/31/57/635633157.db2.gz YWDNPZJNCRIYGM-UONOGXRCSA-N 2 1 278.371 2.266 20 0 CEADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1F ZINC000904420929 635633162 /nfs/dbraw/zinc/63/31/62/635633162.db2.gz YWDNPZJNCRIYGM-UONOGXRCSA-N 2 1 278.371 2.266 20 0 CEADMP c1cnc2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2c1 ZINC000904421223 635633285 /nfs/dbraw/zinc/63/32/85/635633285.db2.gz ULCJCCQGBRAZBC-JKSUJKDBSA-N 2 1 267.376 2.276 20 0 CEADMP C[N@H+]1CCCC[C@H]1CCC(=O)OCC[NH+]1CCCCC1 ZINC000803858268 631618865 /nfs/dbraw/zinc/61/88/65/631618865.db2.gz DSDMRCDOQUQBPL-HNNXBMFYSA-N 2 1 282.428 2.280 20 0 CEADMP CCC(CC)NC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000864467268 631683188 /nfs/dbraw/zinc/68/31/88/631683188.db2.gz URMZLPQVEXIKHY-GFCCVEGCSA-N 2 1 254.422 2.021 20 0 CEADMP CCC(CC)NC(=[NH2+])NCCC[N@@H+](C)CC(C)C ZINC000864468469 631685154 /nfs/dbraw/zinc/68/51/54/631685154.db2.gz FJANSTKNNLPDMK-UHFFFAOYSA-N 2 1 256.438 2.267 20 0 CEADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@@H](C)C1 ZINC000841032843 631821485 /nfs/dbraw/zinc/82/14/85/631821485.db2.gz GEFFDOQXEDHUAL-YOEHRIQHSA-N 3 1 275.440 2.008 20 0 CEADMP CCN1CC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)[C@@H](C)C1 ZINC000841032843 631821489 /nfs/dbraw/zinc/82/14/89/631821489.db2.gz GEFFDOQXEDHUAL-YOEHRIQHSA-N 2 1 275.440 2.008 20 0 CEADMP CC[N@@H+]1CC[C@H](NCc2ccc(CC[NH3+])cc2)[C@@H](C)C1 ZINC000841032843 631821491 /nfs/dbraw/zinc/82/14/91/631821491.db2.gz GEFFDOQXEDHUAL-YOEHRIQHSA-N 2 1 275.440 2.008 20 0 CEADMP CC[N@H+]1CC[C@H](NCc2ccc(CC[NH3+])cc2)[C@@H](C)C1 ZINC000841032843 631821498 /nfs/dbraw/zinc/82/14/98/631821498.db2.gz GEFFDOQXEDHUAL-YOEHRIQHSA-N 2 1 275.440 2.008 20 0 CEADMP COc1ccsc1CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000897621480 631826337 /nfs/dbraw/zinc/82/63/37/631826337.db2.gz CQWWMRXVOOIHIA-SMDDNHRTSA-N 2 1 266.410 2.140 20 0 CEADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)CC1 ZINC000897959062 631991206 /nfs/dbraw/zinc/99/12/06/631991206.db2.gz PPFNBENLAWNQHG-QSPRXWTASA-N 2 1 278.440 2.408 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC000809235878 632074886 /nfs/dbraw/zinc/07/48/86/632074886.db2.gz QFEBQJKYUNERSJ-AWEZNQCLSA-N 2 1 294.443 2.208 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC000809235878 632074890 /nfs/dbraw/zinc/07/48/90/632074890.db2.gz QFEBQJKYUNERSJ-AWEZNQCLSA-N 2 1 294.443 2.208 20 0 CEADMP C[C@H](C[NH2+]Cc1cnc([C@@H](C)O)s1)C[NH+]1CCCC1 ZINC000809606807 632109991 /nfs/dbraw/zinc/10/99/91/632109991.db2.gz FKAPHDUHOMYYMQ-VXGBXAGGSA-N 2 1 283.441 2.018 20 0 CEADMP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C[C@H]1CCC(=O)N1)CC(C)C ZINC000924634119 632369237 /nfs/dbraw/zinc/36/92/37/632369237.db2.gz XWHSMQGLOFKFHR-OAGGEKHMSA-N 2 1 297.487 2.390 20 0 CEADMP COCC[N@@H+](C)CCCN[C@@H](C)c1cccc2c1OCO2 ZINC000924653818 632395552 /nfs/dbraw/zinc/39/55/52/632395552.db2.gz NSTXGSRZCNFFQC-ZDUSSCGKSA-N 2 1 294.395 2.034 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc2c1OCO2 ZINC000924653818 632395559 /nfs/dbraw/zinc/39/55/59/632395559.db2.gz NSTXGSRZCNFFQC-ZDUSSCGKSA-N 2 1 294.395 2.034 20 0 CEADMP COCC[N@@H+](C)CCC[NH2+][C@H](C1CC1)C(C)(C)C ZINC000924653094 632395983 /nfs/dbraw/zinc/39/59/83/632395983.db2.gz GVOCUDFORBWCAR-CQSZACIVSA-N 2 1 256.434 2.369 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCCO2)[C@H]2CCC[C@@H]21 ZINC000927016020 632416125 /nfs/dbraw/zinc/41/61/25/632416125.db2.gz DXDZUCNZMPFORO-UGUYLWEFSA-N 2 1 266.429 2.408 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000813335642 632673446 /nfs/dbraw/zinc/67/34/46/632673446.db2.gz FWOCWZBPOAFBDV-KBPBESRZSA-N 2 1 284.444 2.380 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000813335642 632673450 /nfs/dbraw/zinc/67/34/50/632673450.db2.gz FWOCWZBPOAFBDV-KBPBESRZSA-N 2 1 284.444 2.380 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000813335642 632673452 /nfs/dbraw/zinc/67/34/52/632673452.db2.gz FWOCWZBPOAFBDV-KBPBESRZSA-N 2 1 284.444 2.380 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000813335642 632673457 /nfs/dbraw/zinc/67/34/57/632673457.db2.gz FWOCWZBPOAFBDV-KBPBESRZSA-N 2 1 284.444 2.380 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2([C@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC000927164915 632695563 /nfs/dbraw/zinc/69/55/63/632695563.db2.gz YLQUTBCJORDNCN-MGPQQGTHSA-N 2 1 252.402 2.160 20 0 CEADMP C[C@@H]1C[C@H]([NH2+]C2([C@H]3CCCCO3)CC2)CC[N@H+]1C ZINC000927164915 632695564 /nfs/dbraw/zinc/69/55/64/632695564.db2.gz YLQUTBCJORDNCN-MGPQQGTHSA-N 2 1 252.402 2.160 20 0 CEADMP CC[C@](O)(C[NH2+]CC1(C[NH+](C)C)CCCC1)C(F)(F)F ZINC000905214721 635883575 /nfs/dbraw/zinc/88/35/75/635883575.db2.gz VLHBLKNPBDIPQD-ZDUSSCGKSA-N 2 1 296.377 2.401 20 0 CEADMP CC(C)[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC000900013146 633167352 /nfs/dbraw/zinc/16/73/52/633167352.db2.gz RCRNKOFOJCUXJD-CVEARBPZSA-N 2 1 295.471 2.238 20 0 CEADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000817898738 633760094 /nfs/dbraw/zinc/76/00/94/633760094.db2.gz AYURVUMMGMZDIA-GJZGRUSLSA-N 2 1 285.395 2.017 20 0 CEADMP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000817904652 633764819 /nfs/dbraw/zinc/76/48/19/633764819.db2.gz FSMQSBNLNHIGML-CZPYZCIJSA-N 2 1 280.387 2.368 20 0 CEADMP COc1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000817906221 633766289 /nfs/dbraw/zinc/76/62/89/633766289.db2.gz YPDOILVUSZXQIP-KZNAEPCWSA-N 2 1 298.386 2.463 20 0 CEADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[NH3+])CCC2 ZINC000817921706 633778735 /nfs/dbraw/zinc/77/87/35/633778735.db2.gz HPUJSDWFZSYMBK-HOSYDEDBSA-N 2 1 251.399 2.298 20 0 CEADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000817944129 633791240 /nfs/dbraw/zinc/79/12/40/633791240.db2.gz XZQZXPYHZWIFRO-JTQLQIEISA-N 2 1 286.217 2.494 20 0 CEADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000817952366 633796060 /nfs/dbraw/zinc/79/60/60/633796060.db2.gz KHBFVXBCLYABLH-YUMQZZPRSA-N 2 1 290.180 2.371 20 0 CEADMP O=C(Nc1ccc2nccn2c1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900673029 633802140 /nfs/dbraw/zinc/80/21/40/633802140.db2.gz WDSHLRZKBBEEQL-UONOGXRCSA-N 2 1 284.363 2.290 20 0 CEADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(N2CCCC2=O)cc1 ZINC000817965755 633808297 /nfs/dbraw/zinc/80/82/97/633808297.db2.gz UXWKHODTFHYKBC-BLLLJJGKSA-N 2 1 287.407 2.201 20 0 CEADMP COC[C@]1(C[NH2+][C@H](C)CSC(C)(C)C)CCC[NH2+]1 ZINC000817974729 633819033 /nfs/dbraw/zinc/81/90/33/633819033.db2.gz OEAPFFISSOJVSK-TZMCWYRMSA-N 2 1 274.474 2.265 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+]2C(C)(C)C)[C@H](C)C1 ZINC000900825191 633860122 /nfs/dbraw/zinc/86/01/22/633860122.db2.gz SGHBPXFGZQAYDO-QLFBSQMISA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)[C@H](C)C1 ZINC000900825191 633860124 /nfs/dbraw/zinc/86/01/24/633860124.db2.gz SGHBPXFGZQAYDO-QLFBSQMISA-N 2 1 295.471 2.048 20 0 CEADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+]2C(C)(C)C)[C@H](C)C1 ZINC000900825191 633860125 /nfs/dbraw/zinc/86/01/25/633860125.db2.gz SGHBPXFGZQAYDO-QLFBSQMISA-N 2 1 295.471 2.048 20 0 CEADMP C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000818940985 634011489 /nfs/dbraw/zinc/01/14/89/634011489.db2.gz NRNOHHHLZVXBAW-CQSZACIVSA-N 2 1 286.778 2.196 20 0 CEADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)c1ccccc1F ZINC000818966885 634020306 /nfs/dbraw/zinc/02/03/06/634020306.db2.gz VKMOMKXXUMNQFF-BLLLJJGKSA-N 2 1 291.370 2.290 20 0 CEADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2C)C1 ZINC000818981649 634028437 /nfs/dbraw/zinc/02/84/37/634028437.db2.gz WMPZPQBPXZPSPE-DOTOQJQBSA-N 2 1 276.424 2.350 20 0 CEADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000819366050 634156668 /nfs/dbraw/zinc/15/66/68/634156668.db2.gz HKMXPKMMGXXRIT-CJNGLKHVSA-N 2 1 280.387 2.181 20 0 CEADMP Cc1cc(F)ccc1[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000819366984 634158155 /nfs/dbraw/zinc/15/81/55/634158155.db2.gz VHIJTLBBZCSXIR-WMLDXEAASA-N 2 1 294.414 2.489 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1COc2ccccc2C1 ZINC000902958884 634913801 /nfs/dbraw/zinc/91/38/01/634913801.db2.gz WJGWWMFTFZJNTI-HIFRSBDPSA-N 2 1 285.391 2.192 20 0 CEADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)[C@@H]1C ZINC000903076439 634958259 /nfs/dbraw/zinc/95/82/59/634958259.db2.gz PZJIJHGQXCMIQD-JYYAWHABSA-N 2 1 282.472 2.494 20 0 CEADMP CC[NH+](CC)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903091200 634965123 /nfs/dbraw/zinc/96/51/23/634965123.db2.gz PEFWELBVDIQQKB-YTTRVJOFSA-N 2 1 279.472 2.464 20 0 CEADMP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)C ZINC000903100110 634969514 /nfs/dbraw/zinc/96/95/14/634969514.db2.gz PRBBLEIHCSDWMF-WDVRLDOZSA-N 2 1 266.429 2.405 20 0 CEADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000903132655 634985071 /nfs/dbraw/zinc/98/50/71/634985071.db2.gz VHIKEMXDMLPAOC-INIZCTEOSA-N 2 1 257.381 2.384 20 0 CEADMP C(C[C@@H]1C[C@H]1C1CC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000903160984 634993766 /nfs/dbraw/zinc/99/37/66/634993766.db2.gz CDNITBNWPGCSOK-OIISXLGYSA-N 2 1 278.440 2.266 20 0 CEADMP C[C@H](CCCCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903178045 634999671 /nfs/dbraw/zinc/99/96/71/634999671.db2.gz CYTBUQUPEACIAK-WPXLMEDKSA-N 2 1 266.429 2.285 20 0 CEADMP C[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)O1 ZINC000903183151 635001331 /nfs/dbraw/zinc/00/13/31/635001331.db2.gz KZPGIYKMNSMDIS-UJHCDMDASA-N 2 1 264.413 2.301 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccnn2-c2ccccc2)CC[N@H+]1C ZINC000903169331 635004308 /nfs/dbraw/zinc/00/43/08/635004308.db2.gz HBSIXVQXKXJGCR-CVEARBPZSA-N 2 1 298.434 2.487 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCN1C ZINC000903326091 635076238 /nfs/dbraw/zinc/07/62/38/635076238.db2.gz VWYHLTDYJLFCKE-NXHRZFHOSA-N 2 1 287.451 2.191 20 0 CEADMP FC1(F)C[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1(F)F ZINC000903417521 635106717 /nfs/dbraw/zinc/10/67/17/635106717.db2.gz WZRYRBGKLAKMJT-LLVKDONJSA-N 2 1 280.309 2.352 20 0 CEADMP Cc1ccccc1OCC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903429237 635113976 /nfs/dbraw/zinc/11/39/76/635113976.db2.gz AKFSDYAUNYIBGG-CABCVRRESA-N 2 1 262.397 2.433 20 0 CEADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)C1 ZINC000903441002 635120722 /nfs/dbraw/zinc/12/07/22/635120722.db2.gz GGWMXCARALYPFF-RRFJBIMHSA-N 2 1 299.422 2.036 20 0 CEADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@H]1C[NH3+] ZINC000903458931 635124909 /nfs/dbraw/zinc/12/49/09/635124909.db2.gz NFTWGYGVDWZJHD-NJMOYASZSA-N 2 1 258.356 2.194 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000903464339 635128537 /nfs/dbraw/zinc/12/85/37/635128537.db2.gz JJVCFSRVBZEDJO-GJEMEMOUSA-N 2 1 256.393 2.463 20 0 CEADMP COc1ccccc1[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903475969 635144954 /nfs/dbraw/zinc/14/49/54/635144954.db2.gz JIDAPGLGMFEWSI-KEYYUXOJSA-N 2 1 290.407 2.196 20 0 CEADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000903491136 635157948 /nfs/dbraw/zinc/15/79/48/635157948.db2.gz XAVVDBQXBCBBMB-VWYCJHECSA-N 2 1 280.309 2.208 20 0 CEADMP Cn1nccc1[C@@H]1CCC[N@H+]1CCCCCC[NH3+] ZINC000903566629 635163919 /nfs/dbraw/zinc/16/39/19/635163919.db2.gz WUMAJUYXPUTSBQ-AWEZNQCLSA-N 2 1 250.390 2.076 20 0 CEADMP COc1cc2c(cc1OC)C1(CCC1)[N@H+](CCC[NH3+])CC2 ZINC000903564246 635164654 /nfs/dbraw/zinc/16/46/54/635164654.db2.gz RXQAHYPCJKRGPB-UHFFFAOYSA-N 2 1 290.407 2.290 20 0 CEADMP COc1cc2c(cc1OC)C1(CCC1)[N@@H+](CCC[NH3+])CC2 ZINC000903564246 635164657 /nfs/dbraw/zinc/16/46/57/635164657.db2.gz RXQAHYPCJKRGPB-UHFFFAOYSA-N 2 1 290.407 2.290 20 0 CEADMP CC[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCCCC1 ZINC000903717371 635232364 /nfs/dbraw/zinc/23/23/64/635232364.db2.gz PEMPFLOGDSJIMI-HZPDHXFCSA-N 2 1 266.429 2.410 20 0 CEADMP C[N@H+](Cc1ccc(F)cc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719396 635233647 /nfs/dbraw/zinc/23/36/47/635233647.db2.gz ZFEVSMSPIAXKAV-JKSUJKDBSA-N 2 1 278.371 2.026 20 0 CEADMP CC(C)[C@H](C)[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722509 635235744 /nfs/dbraw/zinc/23/57/44/635235744.db2.gz LXYVJVLWPQQZIG-UONOGXRCSA-N 2 1 254.418 2.121 20 0 CEADMP Oc1ccc2c(c1)C[N@@H+](C[C@@H]1CCCC[NH2+]C1)CC2 ZINC000903723648 635237553 /nfs/dbraw/zinc/23/75/53/635237553.db2.gz XMRGBUAQJOLVSQ-CYBMUJFWSA-N 2 1 260.381 2.140 20 0 CEADMP Oc1ccc2c(c1)C[N@H+](C[C@@H]1CCCC[NH2+]C1)CC2 ZINC000903723648 635237556 /nfs/dbraw/zinc/23/75/56/635237556.db2.gz XMRGBUAQJOLVSQ-CYBMUJFWSA-N 2 1 260.381 2.140 20 0 CEADMP C[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903725904 635238459 /nfs/dbraw/zinc/23/84/59/635238459.db2.gz IWWVSJAUDOCSJQ-LSDHHAIUSA-N 2 1 266.429 2.267 20 0 CEADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729678 635240943 /nfs/dbraw/zinc/24/09/43/635240943.db2.gz QKRUNBOKSBUOLC-ZIAGYGMSSA-N 2 1 254.418 2.123 20 0 CEADMP CC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903730616 635241982 /nfs/dbraw/zinc/24/19/82/635241982.db2.gz YAQWHDYRPJKFHC-DZKIICNBSA-N 2 1 266.429 2.266 20 0 CEADMP C[N@@H+](C[C@H]1CCCC[NH2+]C1)[C@H](CCO)c1ccccc1 ZINC000903729743 635242157 /nfs/dbraw/zinc/24/21/57/635242157.db2.gz RNSUPSYHQDMLHW-DOTOQJQBSA-N 2 1 276.424 2.432 20 0 CEADMP COC1CCC([N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903730082 635242514 /nfs/dbraw/zinc/24/25/14/635242514.db2.gz UCJBXMOPVXQZGK-UYSNPLJNSA-N 2 1 296.455 2.035 20 0 CEADMP C(C1CC[NH2+]CC1)[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000903712776 635244358 /nfs/dbraw/zinc/24/43/58/635244358.db2.gz SAMMNLHIDGILGV-JKSUJKDBSA-N 2 1 266.429 2.125 20 0 CEADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903733707 635250550 /nfs/dbraw/zinc/25/05/50/635250550.db2.gz MTEJYSBTKXBNOF-JJXSEGSLSA-N 2 1 298.496 2.361 20 0 CEADMP Cc1ncc(C[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000903736137 635251236 /nfs/dbraw/zinc/25/12/36/635251236.db2.gz HBWXVUWSYMMUBW-ZDUSSCGKSA-N 2 1 295.452 2.042 20 0 CEADMP CC[N@H+]1CC[C@H](N(C)C[C@H]2CCCC[NH2+]C2)C[C@H]1C ZINC000903738998 635253108 /nfs/dbraw/zinc/25/31/08/635253108.db2.gz APJNFWGAFGEPME-PMPSAXMXSA-N 3 1 267.461 2.181 20 0 CEADMP C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)OC1CCSCC1 ZINC000903740260 635253270 /nfs/dbraw/zinc/25/32/70/635253270.db2.gz FJBAAWWQYGWOAX-HOCLYGCPSA-N 2 1 298.496 2.363 20 0 CEADMP C[N@@H+](CCOC1CCSCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903742581 635255119 /nfs/dbraw/zinc/25/51/19/635255119.db2.gz XPOCDYNALCKNAA-PBWFPOADSA-N 2 1 284.469 2.113 20 0 CEADMP C[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000903760776 635256372 /nfs/dbraw/zinc/25/63/72/635256372.db2.gz YKXIXJBLGOCVIP-NJAFHUGGSA-N 2 1 287.451 2.411 20 0 CEADMP CN1CC[C@H]([NH2+]C[C@@H]2CCCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000903760776 635256378 /nfs/dbraw/zinc/25/63/78/635256378.db2.gz YKXIXJBLGOCVIP-NJAFHUGGSA-N 2 1 287.451 2.411 20 0 CEADMP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000903763033 635257093 /nfs/dbraw/zinc/25/70/93/635257093.db2.gz HDCUKQSWCSFNOE-XUWVNRHRSA-N 2 1 264.413 2.020 20 0 CEADMP C([C@H]1CCCC[NH2+]C1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000903767187 635258506 /nfs/dbraw/zinc/25/85/06/635258506.db2.gz FDGDWDNDQSXSCZ-RDJZCZTQSA-N 3 1 279.472 2.088 20 0 CEADMP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000903769438 635259539 /nfs/dbraw/zinc/25/95/39/635259539.db2.gz GEGYFANQFPIIMS-QAETUUGQSA-N 2 1 278.440 2.410 20 0 CEADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903758175 635261885 /nfs/dbraw/zinc/26/18/85/635261885.db2.gz JCRDSDYWIYNJFV-WBVHZDCISA-N 2 1 296.455 2.287 20 0 CEADMP CCc1nnc([C@@H](C)[NH+]2CCC(C(C)(C)C[NH3+])CC2)[nH]1 ZINC000903791455 635263856 /nfs/dbraw/zinc/26/38/56/635263856.db2.gz XYNZTSZFNAIHMX-LLVKDONJSA-N 2 1 279.432 2.125 20 0 CEADMP CC(C)(C)OC[C@H]1CCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903785888 635270149 /nfs/dbraw/zinc/27/01/49/635270149.db2.gz AOTSSGULSUIHQK-INMHGKMJSA-N 2 1 296.455 2.035 20 0 CEADMP OCC1(C(F)(F)F)CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903789457 635271361 /nfs/dbraw/zinc/27/13/61/635271361.db2.gz XMUKHKMHMXBEQL-GFCCVEGCSA-N 2 1 294.361 2.013 20 0 CEADMP C[C@H]1CCCC[C@H]1OCC[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000903807808 635282241 /nfs/dbraw/zinc/28/22/41/635282241.db2.gz UVFNWYJGJYOULK-LSDHHAIUSA-N 2 1 284.444 2.021 20 0 CEADMP C[C@H]1CCCC[C@H]1OCC[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000903807808 635282243 /nfs/dbraw/zinc/28/22/43/635282243.db2.gz UVFNWYJGJYOULK-LSDHHAIUSA-N 2 1 284.444 2.021 20 0 CEADMP [NH3+]CC1([C@H]2CCCC[N@H+]2C[C@@H]2CCOC2)CCC1 ZINC000903810573 635284252 /nfs/dbraw/zinc/28/42/52/635284252.db2.gz FGKSVXBXEMBYBP-UONOGXRCSA-N 2 1 252.402 2.006 20 0 CEADMP COc1cccc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903818873 635287510 /nfs/dbraw/zinc/28/75/10/635287510.db2.gz WZRSUXSBKZLVKX-UHFFFAOYSA-N 2 1 290.407 2.040 20 0 CEADMP COc1cccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903818873 635287513 /nfs/dbraw/zinc/28/75/13/635287513.db2.gz WZRSUXSBKZLVKX-UHFFFAOYSA-N 2 1 290.407 2.040 20 0 CEADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000903825346 635293277 /nfs/dbraw/zinc/29/32/77/635293277.db2.gz ZKBNCZPWFSSOHO-SJORKVTESA-N 2 1 296.455 2.036 20 0 CEADMP c1csc(C[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903831151 635295459 /nfs/dbraw/zinc/29/54/59/635295459.db2.gz FNOFLBINGGPDEQ-STQMWFEESA-N 2 1 265.426 2.007 20 0 CEADMP c1csc(C[C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000903831437 635295564 /nfs/dbraw/zinc/29/55/64/635295564.db2.gz JUOQNTZJGRCZGQ-OLZOCXBDSA-N 2 1 265.426 2.007 20 0 CEADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cnc(-c3ccccc3)nc1)C2 ZINC000903842768 635300992 /nfs/dbraw/zinc/30/09/92/635300992.db2.gz UIAFNEZZUCIVFP-XKQJLSEDSA-N 2 1 294.402 2.455 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2Cc1cccc2c1CCOC2 ZINC000903862002 635312450 /nfs/dbraw/zinc/31/24/50/635312450.db2.gz ZYDSDYNFXOZSLI-NVXWUHKLSA-N 2 1 272.392 2.073 20 0 CEADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2Cc1cccc2c1CCOC2 ZINC000903862002 635312459 /nfs/dbraw/zinc/31/24/59/635312459.db2.gz ZYDSDYNFXOZSLI-NVXWUHKLSA-N 2 1 272.392 2.073 20 0 CEADMP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H]2C2CCC2)cnn1C ZINC000903888875 635316654 /nfs/dbraw/zinc/31/66/54/635316654.db2.gz MAHBXVBKYIIKPW-RHSMWYFYSA-N 2 1 290.455 2.110 20 0 CEADMP CC(C)(C)[C@H]1CCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903890909 635317752 /nfs/dbraw/zinc/31/77/52/635317752.db2.gz HWMFMODHZGDVFY-UKRRQHHQSA-N 2 1 291.443 2.213 20 0 CEADMP C[C@]12CSC[C@H]1C[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000903871524 635319727 /nfs/dbraw/zinc/31/97/27/635319727.db2.gz QVOUTXRLQDODLN-CABCVRRESA-N 2 1 268.470 2.451 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903881286 635324575 /nfs/dbraw/zinc/32/45/75/635324575.db2.gz YDUFAYLKGKGOFG-AWEZNQCLSA-N 2 1 291.430 2.413 20 0 CEADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903894904 635330741 /nfs/dbraw/zinc/33/07/41/635330741.db2.gz HHEHMIMMXIQAHK-NPYXIHBLSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903894904 635330743 /nfs/dbraw/zinc/33/07/43/635330743.db2.gz HHEHMIMMXIQAHK-NPYXIHBLSA-N 3 1 279.472 2.323 20 0 CEADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903894904 635330744 /nfs/dbraw/zinc/33/07/44/635330744.db2.gz HHEHMIMMXIQAHK-NPYXIHBLSA-N 3 1 279.472 2.323 20 0 CEADMP CN1CCCC[C@@H]1CC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903894904 635330748 /nfs/dbraw/zinc/33/07/48/635330748.db2.gz HHEHMIMMXIQAHK-NPYXIHBLSA-N 2 1 279.472 2.323 20 0 CEADMP CN1CCCC[C@@H]1CC[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903894904 635330751 /nfs/dbraw/zinc/33/07/51/635330751.db2.gz HHEHMIMMXIQAHK-NPYXIHBLSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1n1ccnc1 ZINC000903900143 635335148 /nfs/dbraw/zinc/33/51/48/635335148.db2.gz ZOZGZUWQVIBESK-MKXAEBJUSA-N 2 1 288.439 2.297 20 0 CEADMP CO[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000903939306 635355625 /nfs/dbraw/zinc/35/56/25/635355625.db2.gz FWFFNWPRCITTSP-IJLUTSLNSA-N 2 1 280.334 2.028 20 0 CEADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC3(CCC3)C[C@H]2C)cnn1C ZINC000903916979 635365229 /nfs/dbraw/zinc/36/52/29/635365229.db2.gz IZYSKXHLUUBFDM-HIFRSBDPSA-N 2 1 290.455 2.110 20 0 CEADMP c1cc2c(c(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)c1)OCO2 ZINC000903960178 635369877 /nfs/dbraw/zinc/36/98/77/635369877.db2.gz YFXQKCLGEGECGR-QGZVFWFLSA-N 2 1 288.391 2.381 20 0 CEADMP c1cc2c(c(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)c1)OCO2 ZINC000903960178 635369881 /nfs/dbraw/zinc/36/98/81/635369881.db2.gz YFXQKCLGEGECGR-QGZVFWFLSA-N 2 1 288.391 2.381 20 0 CEADMP C[C@@H](CCC(F)(F)F)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974007 635391810 /nfs/dbraw/zinc/39/18/10/635391810.db2.gz SBTVSVWDKRWTOI-NWDGAFQWSA-N 2 1 294.361 2.466 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc3ccc(Cl)cn23)C[C@H]1CC[NH3+] ZINC000903976798 635394054 /nfs/dbraw/zinc/39/40/54/635394054.db2.gz BFGRHCORBHCIGT-VXGBXAGGSA-N 2 1 292.814 2.404 20 0 CEADMP CCC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980526 635395698 /nfs/dbraw/zinc/39/56/98/635395698.db2.gz UDPRZXFDAMSYTF-BHYGNILZSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[C@H](C)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980526 635395701 /nfs/dbraw/zinc/39/57/01/635395701.db2.gz UDPRZXFDAMSYTF-BHYGNILZSA-N 2 1 279.472 2.323 20 0 CEADMP CCC[C@H](C)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980526 635395707 /nfs/dbraw/zinc/39/57/07/635395707.db2.gz UDPRZXFDAMSYTF-BHYGNILZSA-N 2 1 279.472 2.323 20 0 CEADMP C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904313253 635559756 /nfs/dbraw/zinc/55/97/56/635559756.db2.gz XQTHTYDYUORMGL-WBVHZDCISA-N 2 1 276.424 2.259 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](c2ccccc2)O1 ZINC000904313666 635562210 /nfs/dbraw/zinc/56/22/10/635562210.db2.gz XRNAJVMRCMGXJN-VDERGJSUSA-N 2 1 260.381 2.186 20 0 CEADMP C[NH+](C)CC1CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904336950 635563132 /nfs/dbraw/zinc/56/31/32/635563132.db2.gz KUSXFTYELIMGLM-HNNXBMFYSA-N 3 1 269.477 2.414 20 0 CEADMP COc1ccc([C@H]2CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)cc1 ZINC000904317705 635564364 /nfs/dbraw/zinc/56/43/64/635564364.db2.gz WOEGKZXISVKFJF-AEGPPILISA-N 2 1 260.381 2.222 20 0 CEADMP COC(=O)CCC[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345833 635581923 /nfs/dbraw/zinc/58/19/23/635581923.db2.gz NWKSYBIDCWQGOG-IYBDPMFKSA-N 2 1 290.407 2.179 20 0 CEADMP [NH3+]C[C@H](NC1CC(C[NH3+])C1)c1ccc2ccccc2c1 ZINC000904356118 635587782 /nfs/dbraw/zinc/58/77/82/635587782.db2.gz UPBRWPXUCVAIFT-SEFLRBGSSA-N 2 1 269.392 2.167 20 0 CEADMP [NH3+]C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000904355749 635588045 /nfs/dbraw/zinc/58/80/45/635588045.db2.gz RJAUDNJKVGPINB-VUCTXSBTSA-N 2 1 269.392 2.167 20 0 CEADMP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904374511 635595119 /nfs/dbraw/zinc/59/51/19/635595119.db2.gz SJJLGIIWDNRCLS-OAHLLOKOSA-N 3 1 263.429 2.389 20 0 CEADMP C[C@H]1C[C@H](C[N@H+]2CCn3nc(C(C)(C)C)cc3C2)CC[NH2+]1 ZINC000904389505 635599421 /nfs/dbraw/zinc/59/94/21/635599421.db2.gz LOZRQSZHZKZLNT-UONOGXRCSA-N 2 1 290.455 2.384 20 0 CEADMP CCOC(=O)[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CCCCCC1 ZINC000904377483 635603429 /nfs/dbraw/zinc/60/34/29/635603429.db2.gz QOUJCFUOLLDVFV-VHDGCEQUSA-N 2 1 282.428 2.215 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@]3(CCc4ccccc43)C2)C1 ZINC000904384330 635606733 /nfs/dbraw/zinc/60/67/33/635606733.db2.gz ISRQYJQTKMDRKP-LXZKKBNFSA-N 2 1 256.393 2.314 20 0 CEADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](OC3CCC3)CC2)C1 ZINC000904384220 635606858 /nfs/dbraw/zinc/60/68/58/635606858.db2.gz HCVHUGMFLKRMGF-GUTXKFCHSA-N 2 1 252.402 2.147 20 0 CEADMP C[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000904385235 635607341 /nfs/dbraw/zinc/60/73/41/635607341.db2.gz TVGGXGWATGLZTM-UPJWGTAASA-N 2 1 294.361 2.418 20 0 CEADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000904385235 635607343 /nfs/dbraw/zinc/60/73/43/635607343.db2.gz TVGGXGWATGLZTM-UPJWGTAASA-N 2 1 294.361 2.418 20 0 CEADMP CC(C)[C@H]1CN(C[C@H]([NH3+])CCC(C)(C)C)CC[N@H+]1C ZINC000904384796 635607397 /nfs/dbraw/zinc/60/73/97/635607397.db2.gz OEJASPNLBNTJRJ-HUUCEWRRSA-N 2 1 269.477 2.412 20 0 CEADMP CC(C)OC(=O)C1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904386209 635608771 /nfs/dbraw/zinc/60/87/71/635608771.db2.gz SFTIWRBRUDKFOO-INIZCTEOSA-N 2 1 282.428 2.040 20 0 CEADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406652 635613414 /nfs/dbraw/zinc/61/34/14/635613414.db2.gz TVKYAXIBKCMPSP-AWEZNQCLSA-N 2 1 278.444 2.426 20 0 CEADMP C[C@@H]1C[N@@H+](Cc2cnc([C@H]3CCCO3)s2)CC[C@H]1C[NH3+] ZINC000904410059 635616928 /nfs/dbraw/zinc/61/69/28/635616928.db2.gz CEEJGCXJQMHMMW-MBNYWOFBSA-N 2 1 295.452 2.411 20 0 CEADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904410216 635617272 /nfs/dbraw/zinc/61/72/72/635617272.db2.gz MOAXCXRAAHQRIT-HNNXBMFYSA-N 2 1 284.407 2.351 20 0 CEADMP C[C@@]1(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)CC[NH2+]C1 ZINC000904434828 635628663 /nfs/dbraw/zinc/62/86/63/635628663.db2.gz YUKZIGSBDDXBGX-HZPDHXFCSA-N 2 1 266.429 2.125 20 0 CEADMP CCn1nc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2ccccc21 ZINC000904420706 635631934 /nfs/dbraw/zinc/63/19/34/635631934.db2.gz UODNIZQNROCFIT-UONOGXRCSA-N 2 1 284.407 2.098 20 0 CEADMP CCn1nc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2ccccc21 ZINC000904420706 635631938 /nfs/dbraw/zinc/63/19/38/635631938.db2.gz UODNIZQNROCFIT-UONOGXRCSA-N 2 1 284.407 2.098 20 0 CEADMP Cn1cc(C[NH2+]CC2([NH3+])CC2)c(-c2cc3ccccc3o2)n1 ZINC000904449230 635640517 /nfs/dbraw/zinc/64/05/17/635640517.db2.gz GSZQAUFAUZQJIQ-UHFFFAOYSA-N 2 1 296.374 2.414 20 0 CEADMP C[NH+](C)Cc1cnc(CNc2ccccc2C[NH3+])s1 ZINC000904484617 635650585 /nfs/dbraw/zinc/65/05/85/635650585.db2.gz HKZUDARTZBFTFU-UHFFFAOYSA-N 2 1 276.409 2.276 20 0 CEADMP CC(C)[NH+](CCC[NH2+]C[C@](C)(O)C(F)F)C(C)C ZINC000905149367 635848788 /nfs/dbraw/zinc/84/87/88/635848788.db2.gz ZSKXOXPAZHMWOC-ZDUSSCGKSA-N 2 1 266.376 2.101 20 0 CEADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCSC(C)(C)C)C1 ZINC000878865066 651200147 /nfs/dbraw/zinc/20/01/47/651200147.db2.gz DTVONSQSXGNFFE-HNNXBMFYSA-N 2 1 288.501 2.297 20 0 CEADMP CC[C@](O)(C[NH2+]C1CC[NH+](C2CCC2)CC1)C(F)(F)F ZINC000905282249 636207598 /nfs/dbraw/zinc/20/75/98/636207598.db2.gz XPHMBDMKJRPFBX-ZDUSSCGKSA-N 2 1 294.361 2.296 20 0 CEADMP CCCCCCN(C)Cc1nc(C2([NH3+])CC2)no1 ZINC000905321148 636217657 /nfs/dbraw/zinc/21/76/57/636217657.db2.gz CFFUEKQFGKEILG-UHFFFAOYSA-N 2 1 252.362 2.030 20 0 CEADMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000905392541 636269609 /nfs/dbraw/zinc/26/96/09/636269609.db2.gz UMYJIVCUDLGDPO-INIZCTEOSA-N 2 1 297.487 2.343 20 0 CEADMP C[N@H+](C[C@@H](O)C[NH2+]CCC1(c2ccccc2)CC1)C1CC1 ZINC000905519195 636318151 /nfs/dbraw/zinc/31/81/51/636318151.db2.gz IDYRPSIMKUUSBJ-KRWDZBQOSA-N 2 1 288.435 2.153 20 0 CEADMP C[N@@H+](C[C@@H](O)C[NH2+]CCC1(c2ccccc2)CC1)C1CC1 ZINC000905519195 636318153 /nfs/dbraw/zinc/31/81/53/636318153.db2.gz IDYRPSIMKUUSBJ-KRWDZBQOSA-N 2 1 288.435 2.153 20 0 CEADMP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000828111021 636511007 /nfs/dbraw/zinc/51/10/07/636511007.db2.gz DHJCFDHSHCMNIA-OAHLLOKOSA-N 2 1 295.471 2.192 20 0 CEADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000906507558 636757727 /nfs/dbraw/zinc/75/77/27/636757727.db2.gz AHFBCUPCFWQADQ-MGCOHNPYSA-N 2 1 262.250 2.424 20 0 CEADMP CCC[N@@H+](C)CC(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000829578851 636885281 /nfs/dbraw/zinc/88/52/81/636885281.db2.gz YRFQBKBZSNLXAY-UHFFFAOYSA-N 2 1 297.487 2.155 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000832750628 637659626 /nfs/dbraw/zinc/65/96/26/637659626.db2.gz VYWSDUKUDJDWNH-GJZGRUSLSA-N 2 1 283.460 2.084 20 0 CEADMP CC[C@H](C)NC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227539033 639595780 /nfs/dbraw/zinc/59/57/80/639595780.db2.gz GTDAZVLECGMTPN-GLQYFDAESA-N 2 1 275.396 2.026 20 0 CEADMP COc1ccc(Cl)cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000841062983 639638220 /nfs/dbraw/zinc/63/82/20/639638220.db2.gz FCQIUEBVTHMJFZ-GWCFXTLKSA-N 2 1 268.788 2.436 20 0 CEADMP CCOc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1OC(=O)CC ZINC000841076219 639645883 /nfs/dbraw/zinc/64/58/83/639645883.db2.gz CPDLYLSJULWARJ-NEPJUHHUSA-N 2 1 294.395 2.226 20 0 CEADMP CCOc1ccccc1OCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228988733 639668776 /nfs/dbraw/zinc/66/87/76/639668776.db2.gz NGRPLCCARPWMHD-GJZGRUSLSA-N 2 1 292.423 2.381 20 0 CEADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)C1CCC([NH3+])CC1 ZINC000841904326 639903013 /nfs/dbraw/zinc/90/30/13/639903013.db2.gz MMGWYKZSZPISSI-WLYUNCDWSA-N 2 1 298.475 2.018 20 0 CEADMP C[C@@H](C[NH2+]Cc1ccc(O)c(F)c1)C[NH+]1CCCC1 ZINC000232422702 639921954 /nfs/dbraw/zinc/92/19/54/639921954.db2.gz KJOKQPQAAVLRJZ-LBPRGKRZSA-N 2 1 266.360 2.353 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000842472158 639977189 /nfs/dbraw/zinc/97/71/89/639977189.db2.gz SWMWQKFKNUXNPH-INIZCTEOSA-N 2 1 295.471 2.373 20 0 CEADMP CCc1cc(N[C@@H]2CC[NH2+]C3(CCC3)C2)nc(C)[nH+]1 ZINC000088760560 640010060 /nfs/dbraw/zinc/01/00/60/640010060.db2.gz XQUGSCYWJOEVSD-CYBMUJFWSA-N 2 1 260.385 2.434 20 0 CEADMP CNC(=O)c1ccc(C[N@@H+](C)CCCCCCC[NH3+])cc1 ZINC000842471777 640071093 /nfs/dbraw/zinc/07/10/93/640071093.db2.gz YYJXFJWBQBBDMZ-UHFFFAOYSA-N 2 1 291.439 2.387 20 0 CEADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000842473241 640072660 /nfs/dbraw/zinc/07/26/60/640072660.db2.gz RXUCTCTYJWYKIU-INIZCTEOSA-N 2 1 295.471 2.230 20 0 CEADMP CCCCCCNC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000842474024 640073707 /nfs/dbraw/zinc/07/37/07/640073707.db2.gz AUCPKLCCMCQVPW-HOTGVXAUSA-N 2 1 295.471 2.147 20 0 CEADMP CCCCCCNC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000842474024 640073711 /nfs/dbraw/zinc/07/37/11/640073711.db2.gz AUCPKLCCMCQVPW-HOTGVXAUSA-N 2 1 295.471 2.147 20 0 CEADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000877073766 650559661 /nfs/dbraw/zinc/55/96/61/650559661.db2.gz RWOYBUWGQCOJRI-CHWSQXEVSA-N 2 1 299.365 2.206 20 0 CEADMP Cc1ccc(N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000843116621 640286902 /nfs/dbraw/zinc/28/69/02/640286902.db2.gz RTIKHEINZMWWEV-KRWDZBQOSA-N 2 1 273.424 2.117 20 0 CEADMP CC(C)C[N@H+](C[C@@H](C)[NH3+])C[C@H](O)c1ccc(F)cc1 ZINC000843358907 640402517 /nfs/dbraw/zinc/40/25/17/640402517.db2.gz CSWAUWWHGPNMFW-DOMZBBRYSA-N 2 1 268.376 2.164 20 0 CEADMP CC(C)C[N@@H+](C[C@@H](C)[NH3+])C[C@H](O)c1ccc(F)cc1 ZINC000843358907 640402518 /nfs/dbraw/zinc/40/25/18/640402518.db2.gz CSWAUWWHGPNMFW-DOMZBBRYSA-N 2 1 268.376 2.164 20 0 CEADMP CCCCOC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843387315 640413785 /nfs/dbraw/zinc/41/37/85/640413785.db2.gz GHLLQMJUIBGQMM-HUUCEWRRSA-N 2 1 282.428 2.041 20 0 CEADMP CCCN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000843991087 640571585 /nfs/dbraw/zinc/57/15/85/640571585.db2.gz ICPBPKRVZVZJDG-MRXNPFEDSA-N 2 1 295.471 2.195 20 0 CEADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]([NH3+])C3CC3)c2C1 ZINC000844179016 640625617 /nfs/dbraw/zinc/62/56/17/640625617.db2.gz DCSHUSXOYWAQMS-OAHLLOKOSA-N 2 1 287.407 2.478 20 0 CEADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H]([NH3+])C3CC3)c2C1 ZINC000844179016 640625619 /nfs/dbraw/zinc/62/56/19/640625619.db2.gz DCSHUSXOYWAQMS-OAHLLOKOSA-N 2 1 287.407 2.478 20 0 CEADMP CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993810642 640680213 /nfs/dbraw/zinc/68/02/13/640680213.db2.gz XMYBGWDJIBJNCD-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993810642 640680222 /nfs/dbraw/zinc/68/02/22/640680222.db2.gz XMYBGWDJIBJNCD-CABCVRRESA-N 2 1 295.471 2.097 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1COC(=O)C1CC[NH+](C2CC2)CC1 ZINC000845737152 641067511 /nfs/dbraw/zinc/06/75/11/641067511.db2.gz WHZXLXVRDMOQDC-HNNXBMFYSA-N 2 1 294.439 2.277 20 0 CEADMP Cc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c(C)c1 ZINC000925477668 641114129 /nfs/dbraw/zinc/11/41/29/641114129.db2.gz GCDYMOJBTJNZPV-DMRKSPOLSA-N 2 1 256.393 2.389 20 0 CEADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000845935282 641132369 /nfs/dbraw/zinc/13/23/69/641132369.db2.gz MVOBKHZRUWESJV-YHUYYLMFSA-N 2 1 266.429 2.408 20 0 CEADMP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000845935282 641132372 /nfs/dbraw/zinc/13/23/72/641132372.db2.gz MVOBKHZRUWESJV-YHUYYLMFSA-N 2 1 266.429 2.408 20 0 CEADMP CN(CC[NH+]1CCCCC1)Cc1ncc(C[NH+](C)C)s1 ZINC000846114501 641189534 /nfs/dbraw/zinc/18/95/34/641189534.db2.gz MMACFAMIPRYETA-UHFFFAOYSA-N 2 1 296.484 2.122 20 0 CEADMP BrC1(C[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000846818390 641438450 /nfs/dbraw/zinc/43/84/50/641438450.db2.gz UQEMDBGHPQJYFY-UHFFFAOYSA-N 2 1 296.212 2.131 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000252689266 641582104 /nfs/dbraw/zinc/58/21/04/641582104.db2.gz QRLRRDYAEGCSIU-KBPBESRZSA-N 2 1 278.396 2.132 20 0 CEADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000252689266 641582107 /nfs/dbraw/zinc/58/21/07/641582107.db2.gz QRLRRDYAEGCSIU-KBPBESRZSA-N 2 1 278.396 2.132 20 0 CEADMP CC(C)[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000995107220 641687775 /nfs/dbraw/zinc/68/77/75/641687775.db2.gz PNZFWAXVCUGQDT-HUUCEWRRSA-N 2 1 295.471 2.001 20 0 CEADMP CN(CCCCCC[NH3+])C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000877439781 650722985 /nfs/dbraw/zinc/72/29/85/650722985.db2.gz TWNDAMNYQUNPIQ-INIZCTEOSA-N 2 1 291.439 2.267 20 0 CEADMP Cn1c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cnc1Cl ZINC000848912974 642187354 /nfs/dbraw/zinc/18/73/54/642187354.db2.gz YOYATNUYMPJNPV-ZDUSSCGKSA-N 2 1 296.846 2.237 20 0 CEADMP C[C@@H](CNC(=[NH2+])NC1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000848986861 642208696 /nfs/dbraw/zinc/20/86/96/642208696.db2.gz IOIYURZZYOZAAZ-OLZOCXBDSA-N 2 1 266.433 2.306 20 0 CEADMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])NCCc2cccs2)C1 ZINC000848987495 642209544 /nfs/dbraw/zinc/20/95/44/642209544.db2.gz AXRNXRYBWFWKLY-ZDUSSCGKSA-N 2 1 294.468 2.136 20 0 CEADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1sccc1C ZINC000849016039 642232427 /nfs/dbraw/zinc/23/24/27/642232427.db2.gz NUEMAFATGXSXLJ-ZDUSSCGKSA-N 2 1 294.468 2.197 20 0 CEADMP C[C@H](C[NH2+]Cc1ccnn1C1CCC1)C[NH+]1CCCC1 ZINC000921552692 642232802 /nfs/dbraw/zinc/23/28/02/642232802.db2.gz MGHRWHQEPCFPLR-CQSZACIVSA-N 2 1 276.428 2.430 20 0 CEADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=[NH2+])N1CCC1)C1CC1 ZINC000849020154 642234845 /nfs/dbraw/zinc/23/48/45/642234845.db2.gz PVTVYZKQMFQERL-MRXNPFEDSA-N 2 1 286.423 2.127 20 0 CEADMP C[NH+](C)[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)C1CC1 ZINC000921557451 642240654 /nfs/dbraw/zinc/24/06/54/642240654.db2.gz KOOUDEJBZYKHKU-ZJIFWQFVSA-N 2 1 266.429 2.121 20 0 CEADMP CC1(C)CCC[N@H+]1CCNC(=[NH2+])NCCc1ccccc1 ZINC000849038957 642249564 /nfs/dbraw/zinc/24/95/64/642249564.db2.gz ARLZMEINRKLELK-UHFFFAOYSA-N 2 1 288.439 2.217 20 0 CEADMP Cc1[nH+]ccn1CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000849081904 642260550 /nfs/dbraw/zinc/26/05/50/642260550.db2.gz PRCUPCRDETUDNO-UHFFFAOYSA-N 2 1 279.294 2.106 20 0 CEADMP CC[NH+](CC)[C@@H](CNC1=[NH+]CCCCN1)c1ccccc1 ZINC000849214931 642284943 /nfs/dbraw/zinc/28/49/43/642284943.db2.gz DBSLCFOYRXCORS-INIZCTEOSA-N 2 1 288.439 2.399 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC2=[NH+]CCCCN2)C1 ZINC000849215538 642285958 /nfs/dbraw/zinc/28/59/58/642285958.db2.gz PMLNGKFCJWPRJC-GASCZTMLSA-N 2 1 280.460 2.074 20 0 CEADMP CC(C)[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000997840609 642326358 /nfs/dbraw/zinc/32/63/58/642326358.db2.gz PISDDISRYCWTKX-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP C[N@@H+](Cc1ccc2c(c1)CCCO2)C1CC[NH2+]CC1 ZINC000084623148 642337225 /nfs/dbraw/zinc/33/72/25/642337225.db2.gz SBCNKSKJIDVKRC-UHFFFAOYSA-N 2 1 260.381 2.195 20 0 CEADMP C[NH+]1CCC2(CCC[N@@H+](CCC[C@@H]3CCO3)C2)CC1 ZINC000877496987 650750499 /nfs/dbraw/zinc/75/04/99/650750499.db2.gz ASYBCRWXBYAJCP-OAHLLOKOSA-N 2 1 266.429 2.363 20 0 CEADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(C)C)C1 ZINC000998871639 642444318 /nfs/dbraw/zinc/44/43/18/642444318.db2.gz FKLHLMSXFHDHMW-GPANFISMSA-N 2 1 295.471 2.096 20 0 CEADMP CC(C)[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000999505241 642493208 /nfs/dbraw/zinc/49/32/08/642493208.db2.gz ILXKBIHUPZGGEZ-UYSNPLJNSA-N 2 1 295.471 2.237 20 0 CEADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CC[C@@H]3COCC[C@H]3C1)C2 ZINC000922025828 642847003 /nfs/dbraw/zinc/84/70/03/642847003.db2.gz ORPGIOUSVKWXRV-QKPAOTATSA-N 2 1 289.423 2.240 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CCCO[C@@H]2CCCCO2)CC1(C)C ZINC000922230723 642970924 /nfs/dbraw/zinc/97/09/24/642970924.db2.gz IPVULUGQNRSSKT-LSDHHAIUSA-N 2 1 284.444 2.382 20 0 CEADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCO[C@H]1CCCCO1 ZINC000922233420 642972230 /nfs/dbraw/zinc/97/22/30/642972230.db2.gz QCIDZQBUYCTGIT-INIZCTEOSA-N 2 1 293.411 2.171 20 0 CEADMP CC1(C)OC[C@H](CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000851778317 643157178 /nfs/dbraw/zinc/15/71/78/643157178.db2.gz GSRKNNYBGFVHJP-HOTGVXAUSA-N 2 1 296.455 2.478 20 0 CEADMP C[NH+](CC[C@@H]1COC(C)(C)O1)CC[C@@H]1CCCC[N@@H+]1C ZINC000851787143 643161879 /nfs/dbraw/zinc/16/18/79/643161879.db2.gz PBHAFWXSUDTQQD-LSDHHAIUSA-N 2 1 284.444 2.334 20 0 CEADMP C[NH+](CC[C@@H]1COC(C)(C)O1)CC[C@@H]1CCCC[N@H+]1C ZINC000851787143 643161885 /nfs/dbraw/zinc/16/18/85/643161885.db2.gz PBHAFWXSUDTQQD-LSDHHAIUSA-N 2 1 284.444 2.334 20 0 CEADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851796166 643166370 /nfs/dbraw/zinc/16/63/70/643166370.db2.gz WLWXZLYOFHEFBI-HOTGVXAUSA-N 2 1 296.455 2.192 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851796166 643166377 /nfs/dbraw/zinc/16/63/77/643166377.db2.gz WLWXZLYOFHEFBI-HOTGVXAUSA-N 2 1 296.455 2.192 20 0 CEADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000851796166 643166380 /nfs/dbraw/zinc/16/63/80/643166380.db2.gz WLWXZLYOFHEFBI-HOTGVXAUSA-N 2 1 296.455 2.192 20 0 CEADMP CC1(C)OC[C@@H](CC[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)O1 ZINC000851845694 643188273 /nfs/dbraw/zinc/18/82/73/643188273.db2.gz MEAFDEUYPRJDSX-CHWSQXEVSA-N 2 1 279.384 2.131 20 0 CEADMP CN(C)[C@H](CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(F)(F)F ZINC000922755061 643245977 /nfs/dbraw/zinc/24/59/77/643245977.db2.gz RMOUWMSAUGQFPU-JHJVBQTASA-N 2 1 293.377 2.085 20 0 CEADMP CCO[C@H](C[NH2+]C[C@H](C)c1ccc(OC)cc1)C[NH+](C)C ZINC000922758939 643249131 /nfs/dbraw/zinc/24/91/31/643249131.db2.gz YTXHBAJQPYZZNI-WMLDXEAASA-N 2 1 294.439 2.355 20 0 CEADMP Cc1ccc(NCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000922927343 643455577 /nfs/dbraw/zinc/45/55/77/643455577.db2.gz GZNCOYQQPSJVBA-CABCVRRESA-N 2 1 274.412 2.018 20 0 CEADMP C[N@@H+](CCCNC[C@H](O)c1ccccn1)C1CCCCC1 ZINC000853062619 643641722 /nfs/dbraw/zinc/64/17/22/643641722.db2.gz REEVKEJCHMATPM-KRWDZBQOSA-N 2 1 291.439 2.359 20 0 CEADMP C[N@H+](CCC[NH2+]C[C@H](O)c1ccccn1)C1CCCCC1 ZINC000853062619 643641727 /nfs/dbraw/zinc/64/17/27/643641727.db2.gz REEVKEJCHMATPM-KRWDZBQOSA-N 2 1 291.439 2.359 20 0 CEADMP C[N@@H+](CCC[NH2+]C[C@H](O)c1ccccn1)C1CCCCC1 ZINC000853062619 643641732 /nfs/dbraw/zinc/64/17/32/643641732.db2.gz REEVKEJCHMATPM-KRWDZBQOSA-N 2 1 291.439 2.359 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000923289686 643643528 /nfs/dbraw/zinc/64/35/28/643643528.db2.gz JLUDKRXXEWROQC-QFBILLFUSA-N 2 1 298.430 2.285 20 0 CEADMP c1csc([C@H]2CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923299766 643645185 /nfs/dbraw/zinc/64/51/85/643645185.db2.gz ZDOGXGJRADCHSD-CHWSQXEVSA-N 2 1 278.421 2.264 20 0 CEADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000923303292 643650431 /nfs/dbraw/zinc/65/04/31/643650431.db2.gz BMKHURAYQQSNIF-HZPDHXFCSA-N 2 1 278.440 2.410 20 0 CEADMP Fc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923303909 643652192 /nfs/dbraw/zinc/65/21/92/643652192.db2.gz LYBSCUUIJFLVHH-HOTGVXAUSA-N 2 1 290.382 2.341 20 0 CEADMP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[C@H]1C1CCCC1 ZINC000923308669 643652256 /nfs/dbraw/zinc/65/22/56/643652256.db2.gz DRUVGUINTLFUTP-GJZGRUSLSA-N 2 1 264.413 2.020 20 0 CEADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000923316315 643654875 /nfs/dbraw/zinc/65/48/75/643654875.db2.gz HEOOEVCYHRQYJZ-CQSZACIVSA-N 2 1 296.480 2.117 20 0 CEADMP CCCCCC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923328882 643659735 /nfs/dbraw/zinc/65/97/35/643659735.db2.gz XXYRHFGKMNHJSL-OAHLLOKOSA-N 2 1 268.445 2.393 20 0 CEADMP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1nnc2ccccn21 ZINC000923322824 643662212 /nfs/dbraw/zinc/66/22/12/643662212.db2.gz ACLPFQOGXGBJJI-GOOCMWNKSA-N 2 1 299.422 2.082 20 0 CEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1nnc2ccccn21 ZINC000923322824 643662218 /nfs/dbraw/zinc/66/22/18/643662218.db2.gz ACLPFQOGXGBJJI-GOOCMWNKSA-N 2 1 299.422 2.082 20 0 CEADMP CN1CCC[C@@H]1[C@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923323580 643662279 /nfs/dbraw/zinc/66/22/79/643662279.db2.gz UPITZUYQHSEXGT-PYWTVGQWSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923323580 643662281 /nfs/dbraw/zinc/66/22/81/643662281.db2.gz UPITZUYQHSEXGT-PYWTVGQWSA-N 2 1 291.483 2.466 20 0 CEADMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923323580 643662287 /nfs/dbraw/zinc/66/22/87/643662287.db2.gz UPITZUYQHSEXGT-PYWTVGQWSA-N 2 1 291.483 2.466 20 0 CEADMP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923322688 643662652 /nfs/dbraw/zinc/66/26/52/643662652.db2.gz MWJSJYPEHRTUFL-WCQYABFASA-N 2 1 295.452 2.131 20 0 CEADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923327040 643664857 /nfs/dbraw/zinc/66/48/57/643664857.db2.gz AMOLWOAPZYGGHB-HSEDZPOISA-N 3 1 277.456 2.122 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000923333011 643665821 /nfs/dbraw/zinc/66/58/21/643665821.db2.gz OHXFKFKEHPRCAD-CAOSSQGBSA-N 2 1 268.445 2.377 20 0 CEADMP Cc1ccc([C@H](O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000923333885 643666993 /nfs/dbraw/zinc/66/69/93/643666993.db2.gz YVPQNMUXGBBUMN-MRXNPFEDSA-N 2 1 274.408 2.104 20 0 CEADMP CCc1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000923364543 643679606 /nfs/dbraw/zinc/67/96/06/643679606.db2.gz NRVZJXIVJMJVMT-TZMCWYRMSA-N 2 1 263.385 2.201 20 0 CEADMP CCc1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000923364543 643679609 /nfs/dbraw/zinc/67/96/09/643679609.db2.gz NRVZJXIVJMJVMT-TZMCWYRMSA-N 2 1 263.385 2.201 20 0 CEADMP CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923370132 643683072 /nfs/dbraw/zinc/68/30/72/643683072.db2.gz BYEZUUCCRBGZBA-IAGOWNOFSA-N 2 1 286.419 2.202 20 0 CEADMP CC(C)CC[C@H](O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000923374938 643685223 /nfs/dbraw/zinc/68/52/23/643685223.db2.gz WGRIDZNKIDCAQX-LSDHHAIUSA-N 2 1 256.434 2.281 20 0 CEADMP CC(C)(C)c1ccc2c(c1)C[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)CC2 ZINC000923374333 643685471 /nfs/dbraw/zinc/68/54/71/643685471.db2.gz VSSHLVJRRLDRNY-ULQDDVLXSA-N 2 1 288.435 2.193 20 0 CEADMP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000923385215 643685510 /nfs/dbraw/zinc/68/55/10/643685510.db2.gz XNAOSHOUTWNVCA-HUUCEWRRSA-N 2 1 264.413 2.020 20 0 CEADMP CC(C)CC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000923392530 643691530 /nfs/dbraw/zinc/69/15/30/643691530.db2.gz JSUDTJCQUCEZAD-YYIAUSFCSA-N 2 1 298.471 2.144 20 0 CEADMP CCCCCC[C@H](O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000923410378 643700284 /nfs/dbraw/zinc/70/02/84/643700284.db2.gz YYCNZOJFFNYRKF-HRCADAONSA-N 2 1 268.445 2.249 20 0 CEADMP O[C@H](CCc1ccccc1)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923415472 643703243 /nfs/dbraw/zinc/70/32/43/643703243.db2.gz RUOZPCJDHXWZAL-RCCFBDPRSA-N 2 1 288.435 2.054 20 0 CEADMP C[C@@H]1CC[C@@H](CN)[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000923424122 643704347 /nfs/dbraw/zinc/70/43/47/643704347.db2.gz OCRCQSHQQPKAQJ-ICAOIODUSA-N 2 1 279.472 2.355 20 0 CEADMP C[C@@H]1CC[C@@H](C[NH3+])N(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000923424122 643704349 /nfs/dbraw/zinc/70/43/49/643704349.db2.gz OCRCQSHQQPKAQJ-ICAOIODUSA-N 2 1 279.472 2.355 20 0 CEADMP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CCCCC1 ZINC000923428926 643708149 /nfs/dbraw/zinc/70/81/49/643708149.db2.gz SPEZRMXCDNDZNE-LSDHHAIUSA-N 2 1 266.429 2.192 20 0 CEADMP CCCCc1noc([C@@H](C)[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000923487335 643729872 /nfs/dbraw/zinc/72/98/72/643729872.db2.gz ZUHVCXQCMNDPNI-NEPJUHHUSA-N 2 1 266.389 2.144 20 0 CEADMP COc1ccccc1CCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479719 643730811 /nfs/dbraw/zinc/73/08/11/643730811.db2.gz BWOGBQCTWAGFGA-CQSZACIVSA-N 2 1 262.397 2.299 20 0 CEADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923483233 643732048 /nfs/dbraw/zinc/73/20/48/643732048.db2.gz XUUBMCTWCBNORB-ZDUSSCGKSA-N 2 1 293.386 2.133 20 0 CEADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2)CC[C@H]1C[NH3+] ZINC000923495823 643733741 /nfs/dbraw/zinc/73/37/41/643733741.db2.gz FKXGHHSQQBXXKP-OLZOCXBDSA-N 2 1 293.386 2.071 20 0 CEADMP CCc1nc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923500224 643740593 /nfs/dbraw/zinc/74/05/93/643740593.db2.gz VOXADLCVMHLVSH-WDEREUQCSA-N 2 1 253.415 2.122 20 0 CEADMP CCOc1ccc(OCC[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923504146 643742032 /nfs/dbraw/zinc/74/20/32/643742032.db2.gz OMOQYVRTWJRPBI-HUUCEWRRSA-N 2 1 292.423 2.381 20 0 CEADMP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(Cl)c2)CC[C@@H]1C[NH3+] ZINC000923510384 643746221 /nfs/dbraw/zinc/74/62/21/643746221.db2.gz SSUGLLZIUGJNNS-NWDGAFQWSA-N 2 1 295.814 2.195 20 0 CEADMP c1cc2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2[nH]1 ZINC000923516030 643747613 /nfs/dbraw/zinc/74/76/13/643747613.db2.gz RNMRUHCBPOLDPS-LSDHHAIUSA-N 2 1 255.365 2.209 20 0 CEADMP COc1ccc(OCCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923520738 643749512 /nfs/dbraw/zinc/74/95/12/643749512.db2.gz VQAJQVVZTWOCME-LSDHHAIUSA-N 2 1 290.407 2.005 20 0 CEADMP C(C[N@H+]1CCC[C@H](C2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000923548927 643757296 /nfs/dbraw/zinc/75/72/96/643757296.db2.gz CIJGCBJIIFWNOG-ZBFHGGJFSA-N 2 1 266.429 2.125 20 0 CEADMP c1ccc(CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C2CC2)cc1 ZINC000923553423 643759799 /nfs/dbraw/zinc/75/97/99/643759799.db2.gz JMJVQXHMRGUXLC-KRWDZBQOSA-N 2 1 286.419 2.072 20 0 CEADMP O=C1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CCCN1 ZINC000877732820 650876322 /nfs/dbraw/zinc/87/63/22/650876322.db2.gz KLPPUPHVTOHMJK-ZBFHGGJFSA-N 2 1 293.455 2.042 20 0 CEADMP O=C1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CCCN1 ZINC000877732820 650876325 /nfs/dbraw/zinc/87/63/25/650876325.db2.gz KLPPUPHVTOHMJK-ZBFHGGJFSA-N 2 1 293.455 2.042 20 0 CEADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cccc(Cl)n1 ZINC000853773380 643898458 /nfs/dbraw/zinc/89/84/58/643898458.db2.gz BZOVQDFZHQZKCY-LBPRGKRZSA-N 2 1 284.835 2.419 20 0 CEADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cccc(Cl)n1 ZINC000853773380 643898463 /nfs/dbraw/zinc/89/84/63/643898463.db2.gz BZOVQDFZHQZKCY-LBPRGKRZSA-N 2 1 284.835 2.419 20 0 CEADMP O[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000838818024 644029112 /nfs/dbraw/zinc/02/91/12/644029112.db2.gz UAWYBQPMSZKDGS-RDJZCZTQSA-N 2 1 280.456 2.345 20 0 CEADMP CC[N@@H+](CCc1cncn1C)C[C@@H](O)c1ccc(C)cc1 ZINC000838858660 644051310 /nfs/dbraw/zinc/05/13/10/644051310.db2.gz ASMKAFZMASMUEE-QGZVFWFLSA-N 2 1 287.407 2.327 20 0 CEADMP COCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877742964 650887714 /nfs/dbraw/zinc/88/77/14/650887714.db2.gz HRJIVAKNVWXYIJ-DLBZAZTESA-N 2 1 274.408 2.359 20 0 CEADMP COCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877742964 650887716 /nfs/dbraw/zinc/88/77/16/650887716.db2.gz HRJIVAKNVWXYIJ-DLBZAZTESA-N 2 1 274.408 2.359 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877742964 650887717 /nfs/dbraw/zinc/88/77/17/650887717.db2.gz HRJIVAKNVWXYIJ-DLBZAZTESA-N 2 1 274.408 2.359 20 0 CEADMP COCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877742964 650887721 /nfs/dbraw/zinc/88/77/21/650887721.db2.gz HRJIVAKNVWXYIJ-DLBZAZTESA-N 2 1 274.408 2.359 20 0 CEADMP CSC1(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CCC1 ZINC000877742695 650888092 /nfs/dbraw/zinc/88/80/92/650888092.db2.gz QQFPCNYYFZRIPS-STQMWFEESA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CCC1 ZINC000877742695 650888093 /nfs/dbraw/zinc/88/80/93/650888093.db2.gz QQFPCNYYFZRIPS-STQMWFEESA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CCC1 ZINC000877742695 650888095 /nfs/dbraw/zinc/88/80/95/650888095.db2.gz QQFPCNYYFZRIPS-STQMWFEESA-N 2 1 254.443 2.298 20 0 CEADMP CSC1(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CCC1 ZINC000877742695 650888098 /nfs/dbraw/zinc/88/80/98/650888098.db2.gz QQFPCNYYFZRIPS-STQMWFEESA-N 2 1 254.443 2.298 20 0 CEADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000877744355 650890501 /nfs/dbraw/zinc/89/05/01/650890501.db2.gz RXBYJFSNHDVJST-JKSUJKDBSA-N 2 1 272.392 2.148 20 0 CEADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000877744355 650890503 /nfs/dbraw/zinc/89/05/03/650890503.db2.gz RXBYJFSNHDVJST-JKSUJKDBSA-N 2 1 272.392 2.148 20 0 CEADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000877744355 650890506 /nfs/dbraw/zinc/89/05/06/650890506.db2.gz RXBYJFSNHDVJST-JKSUJKDBSA-N 2 1 272.392 2.148 20 0 CEADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000877744355 650890508 /nfs/dbraw/zinc/89/05/08/650890508.db2.gz RXBYJFSNHDVJST-JKSUJKDBSA-N 2 1 272.392 2.148 20 0 CEADMP OCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000839073130 644138845 /nfs/dbraw/zinc/13/88/45/644138845.db2.gz SHBXLWRAQFBEAW-KRWDZBQOSA-N 2 1 288.435 2.197 20 0 CEADMP CCOC(=O)CC(C)(C)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000839115191 644156517 /nfs/dbraw/zinc/15/65/17/644156517.db2.gz HHWJIBLQWMKQBL-QGZVFWFLSA-N 2 1 296.455 2.384 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000839115191 644156519 /nfs/dbraw/zinc/15/65/19/644156519.db2.gz HHWJIBLQWMKQBL-QGZVFWFLSA-N 2 1 296.455 2.384 20 0 CEADMP CCOC(=O)CC(C)(C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000839115191 644156522 /nfs/dbraw/zinc/15/65/22/644156522.db2.gz HHWJIBLQWMKQBL-QGZVFWFLSA-N 2 1 296.455 2.384 20 0 CEADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000886612032 644265053 /nfs/dbraw/zinc/26/50/53/644265053.db2.gz AACPEPPXCSGICY-MJBXVCDLSA-N 2 1 270.417 2.038 20 0 CEADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000886612032 644265061 /nfs/dbraw/zinc/26/50/61/644265061.db2.gz AACPEPPXCSGICY-MJBXVCDLSA-N 2 1 270.417 2.038 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC000855165926 644265086 /nfs/dbraw/zinc/26/50/86/644265086.db2.gz AOBACALGGXKENH-HNNXBMFYSA-N 2 1 295.471 2.242 20 0 CEADMP Cc1nc(C[NH+]2CCC(OCC[NH+](C)C)CC2)sc1C ZINC000756049634 644597963 /nfs/dbraw/zinc/59/79/63/644597963.db2.gz WNRRJHCQEVGRFB-UHFFFAOYSA-N 2 1 297.468 2.303 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(C)nc1Cl ZINC000856772519 644718398 /nfs/dbraw/zinc/71/83/98/644718398.db2.gz WJMQELKIMVLBQQ-UHFFFAOYSA-N 2 1 281.791 2.148 20 0 CEADMP Clc1cncc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000857084752 644813266 /nfs/dbraw/zinc/81/32/66/644813266.db2.gz ZZMDKZITZXZGKK-UHFFFAOYSA-N 2 1 265.788 2.311 20 0 CEADMP Cc1ccc(O[C@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)nc1 ZINC000858041255 645051510 /nfs/dbraw/zinc/05/15/10/645051510.db2.gz JFNBYBRORQQSBI-CVEARBPZSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ccc(O[C@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)nc1 ZINC000858041255 645051515 /nfs/dbraw/zinc/05/15/15/645051515.db2.gz JFNBYBRORQQSBI-CVEARBPZSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ccc(O[C@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)nc1 ZINC000858041255 645051521 /nfs/dbraw/zinc/05/15/21/645051521.db2.gz JFNBYBRORQQSBI-CVEARBPZSA-N 2 1 289.423 2.327 20 0 CEADMP Cc1ccc(O[C@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)nc1 ZINC000858041255 645051525 /nfs/dbraw/zinc/05/15/25/645051525.db2.gz JFNBYBRORQQSBI-CVEARBPZSA-N 2 1 289.423 2.327 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@](C)(O)c2ccccc2)CC1(C)C ZINC000858137253 645071132 /nfs/dbraw/zinc/07/11/32/645071132.db2.gz KPTGZMGMGMKBTK-WBVHZDCISA-N 2 1 276.424 2.357 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]C[C@](C)(O)c2ccsc2)CC1(C)C ZINC000858142825 645073294 /nfs/dbraw/zinc/07/32/94/645073294.db2.gz NXDDUAMVEMTJIE-HIFRSBDPSA-N 2 1 282.453 2.418 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2COC3(CCCC3)O2)CC1(C)C ZINC000858156936 645077229 /nfs/dbraw/zinc/07/72/29/645077229.db2.gz UGHDWQILCXTRFZ-KBPBESRZSA-N 2 1 282.428 2.135 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2COC3(CCC3)C2)CC1(C)C ZINC000858189087 645083552 /nfs/dbraw/zinc/08/35/52/645083552.db2.gz DYQFTAOOTQFWIO-CHWSQXEVSA-N 2 1 252.402 2.160 20 0 CEADMP COC1CC(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)C1 ZINC000859113653 645370007 /nfs/dbraw/zinc/37/00/07/645370007.db2.gz XHWGAJGJQJWYDM-UHFFFAOYSA-N 2 1 254.418 2.216 20 0 CEADMP COC(=O)CCCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000859292261 645448046 /nfs/dbraw/zinc/44/80/46/645448046.db2.gz VTNVJJAAVIPSRC-UHFFFAOYSA-N 2 1 282.428 2.138 20 0 CEADMP Cn1cncc1CCC[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859589428 645529663 /nfs/dbraw/zinc/52/96/63/645529663.db2.gz VBGGSEIZAHIODU-GOSISDBHSA-N 2 1 299.418 2.336 20 0 CEADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859589428 645529665 /nfs/dbraw/zinc/52/96/65/645529665.db2.gz VBGGSEIZAHIODU-GOSISDBHSA-N 2 1 299.418 2.336 20 0 CEADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859589428 645529668 /nfs/dbraw/zinc/52/96/68/645529668.db2.gz VBGGSEIZAHIODU-GOSISDBHSA-N 2 1 299.418 2.336 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC[C@H](O)C(C)C)[C@H](C)C1 ZINC000878257229 651046483 /nfs/dbraw/zinc/04/64/83/651046483.db2.gz FWJSVIMHCCSJLM-ILXRZTDVSA-N 2 1 256.434 2.056 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC[C@H](O)C(C)C)[C@H](C)C1 ZINC000878257229 651046486 /nfs/dbraw/zinc/04/64/86/651046486.db2.gz FWJSVIMHCCSJLM-ILXRZTDVSA-N 2 1 256.434 2.056 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC[C@H](O)C(C)C)[C@H](C)C1 ZINC000878257229 651046488 /nfs/dbraw/zinc/04/64/88/651046488.db2.gz FWJSVIMHCCSJLM-ILXRZTDVSA-N 2 1 256.434 2.056 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCCc3ccccc32)CC[N@H+]1C ZINC000765878950 645819446 /nfs/dbraw/zinc/81/94/46/645819446.db2.gz RMCRMZCJZODZMI-HFTRVMKXSA-N 2 1 288.435 2.283 20 0 CEADMP COCCC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765973730 645829709 /nfs/dbraw/zinc/82/97/09/645829709.db2.gz DVUWXWJWIDNFHA-GDBMZVCRSA-N 2 1 284.444 2.035 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](SC)C2)CC1 ZINC000766059262 645841387 /nfs/dbraw/zinc/84/13/87/645841387.db2.gz FCMZXMDISOGGQN-HUUCEWRRSA-N 2 1 286.485 2.361 20 0 CEADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](SC)C2)CC1 ZINC000766059265 645841541 /nfs/dbraw/zinc/84/15/41/645841541.db2.gz FCMZXMDISOGGQN-LSDHHAIUSA-N 2 1 286.485 2.361 20 0 CEADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccncc1 ZINC000768402536 646120806 /nfs/dbraw/zinc/12/08/06/646120806.db2.gz LIWXPTOWQYNSFQ-YOEHRIQHSA-N 2 1 289.423 2.376 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000768840190 646171751 /nfs/dbraw/zinc/17/17/51/646171751.db2.gz ARIFACXCUBJVEN-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[N@@H+](C)CC(=O)N1C[C@H](C)[NH+](C)C[C@H]1C ZINC000768840190 646171756 /nfs/dbraw/zinc/17/17/56/646171756.db2.gz ARIFACXCUBJVEN-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000768840190 646171757 /nfs/dbraw/zinc/17/17/57/646171757.db2.gz ARIFACXCUBJVEN-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP CCCCCC[NH+](C)CC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000768840190 646171761 /nfs/dbraw/zinc/17/17/61/646171761.db2.gz ARIFACXCUBJVEN-LSDHHAIUSA-N 2 1 283.460 2.050 20 0 CEADMP NC(CCC(F)(F)F)=[NH+]OCC[NH+]1CCCCC1 ZINC000863490962 646741970 /nfs/dbraw/zinc/74/19/70/646741970.db2.gz UNWJGAWBMLTHNI-UHFFFAOYSA-N 2 1 267.295 2.313 20 0 CEADMP CO[C@@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774269728 646827778 /nfs/dbraw/zinc/82/77/78/646827778.db2.gz BBQINZSSMGSPHQ-LUGNKYPNSA-N 2 1 252.402 2.016 20 0 CEADMP C([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[C@H]1CC[N@H+](C2CC2)C1 ZINC000775369820 646946205 /nfs/dbraw/zinc/94/62/05/646946205.db2.gz RKYYWXPEWXXCQI-REBRKWNGSA-N 2 1 298.521 2.440 20 0 CEADMP C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000864453386 647008991 /nfs/dbraw/zinc/00/89/91/647008991.db2.gz ZHWHHNDPNZUWRC-UPJWGTAASA-N 2 1 292.452 2.407 20 0 CEADMP CCC(CC)NC(=[NH2+])NCC[N@@H+](C)C1CCCC1 ZINC000864458079 647013089 /nfs/dbraw/zinc/01/30/89/647013089.db2.gz JEPQWPKYBFXDMJ-UHFFFAOYSA-N 2 1 254.422 2.163 20 0 CEADMP CC[C@H]1CCN(C(=[NH2+])NCCCCn2cc[nH+]c2C)C1 ZINC000864459823 647014788 /nfs/dbraw/zinc/01/47/88/647014788.db2.gz DCAKHCNWFPEXFR-AWEZNQCLSA-N 2 1 277.416 2.228 20 0 CEADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1COC2(CCCCC2)O1 ZINC000776168053 647030682 /nfs/dbraw/zinc/03/06/82/647030682.db2.gz AIKANXJNXXYTDD-XHSDSOJGSA-N 2 1 294.439 2.279 20 0 CEADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2N(C)C)C1 ZINC000865417269 647283969 /nfs/dbraw/zinc/28/39/69/647283969.db2.gz DXUGMCGPPINGKY-ZDUSSCGKSA-N 2 1 279.403 2.323 20 0 CEADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2N(C)C)C1 ZINC000865417269 647283972 /nfs/dbraw/zinc/28/39/72/647283972.db2.gz DXUGMCGPPINGKY-ZDUSSCGKSA-N 2 1 279.403 2.323 20 0 CEADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865476360 647313618 /nfs/dbraw/zinc/31/36/18/647313618.db2.gz VZRFHCYAVBKRPZ-UHFFFAOYSA-N 2 1 273.384 2.293 20 0 CEADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)CCO)CC1 ZINC000779394444 647318378 /nfs/dbraw/zinc/31/83/78/647318378.db2.gz XRWZQJVDSLDQQW-HNNXBMFYSA-N 2 1 276.424 2.320 20 0 CEADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CCCCCCC1 ZINC000779477481 647327053 /nfs/dbraw/zinc/32/70/53/647327053.db2.gz KFKDFRYOMNTIKZ-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CCCCCCC1 ZINC000779477481 647327057 /nfs/dbraw/zinc/32/70/57/647327057.db2.gz KFKDFRYOMNTIKZ-UHFFFAOYSA-N 2 1 295.471 2.195 20 0 CEADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865638111 647400692 /nfs/dbraw/zinc/40/06/92/647400692.db2.gz WMASWHGJDJCKTG-UHFFFAOYSA-N 2 1 284.338 2.440 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)s1 ZINC000865699754 647430613 /nfs/dbraw/zinc/43/06/13/647430613.db2.gz GFBPEHAMVJXYPD-CHWSQXEVSA-N 2 1 297.468 2.234 20 0 CEADMP Cc1[nH]ncc1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865716693 647436846 /nfs/dbraw/zinc/43/68/46/647436846.db2.gz DFGHLITZXLLXPM-UHFFFAOYSA-N 2 1 264.417 2.318 20 0 CEADMP CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000865775063 647459409 /nfs/dbraw/zinc/45/94/09/647459409.db2.gz PYUGDEBXHSVPTK-APIJFGDWSA-N 2 1 294.439 2.323 20 0 CEADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@@H](O)C2CCCC2)CC1(C)C ZINC000865877868 647520019 /nfs/dbraw/zinc/52/00/19/647520019.db2.gz UQAFBYHRUODJBN-HUUCEWRRSA-N 2 1 268.445 2.390 20 0 CEADMP C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781416644 647525160 /nfs/dbraw/zinc/52/51/60/647525160.db2.gz LCCAAAALVSURDN-ZIAGYGMSSA-N 2 1 276.428 2.163 20 0 CEADMP C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781416644 647525164 /nfs/dbraw/zinc/52/51/64/647525164.db2.gz LCCAAAALVSURDN-ZIAGYGMSSA-N 2 1 276.428 2.163 20 0 CEADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000782183336 647597509 /nfs/dbraw/zinc/59/75/09/647597509.db2.gz KEYCQUYZCUONEE-ZBFHGGJFSA-N 3 1 267.461 2.133 20 0 CEADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000782183336 647597512 /nfs/dbraw/zinc/59/75/12/647597512.db2.gz KEYCQUYZCUONEE-ZBFHGGJFSA-N 3 1 267.461 2.133 20 0 CEADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000782183336 647597514 /nfs/dbraw/zinc/59/75/14/647597514.db2.gz KEYCQUYZCUONEE-ZBFHGGJFSA-N 3 1 267.461 2.133 20 0 CEADMP CCN1CC[C@H]([N@H+](C)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000782183336 647597516 /nfs/dbraw/zinc/59/75/16/647597516.db2.gz KEYCQUYZCUONEE-ZBFHGGJFSA-N 2 1 267.461 2.133 20 0 CEADMP CCN1CC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000782183336 647597517 /nfs/dbraw/zinc/59/75/17/647597517.db2.gz KEYCQUYZCUONEE-ZBFHGGJFSA-N 2 1 267.461 2.133 20 0 CEADMP CCOCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000782968609 647666695 /nfs/dbraw/zinc/66/66/95/647666695.db2.gz DNPGSQYTQHBGQC-UHFFFAOYSA-N 2 1 290.407 2.411 20 0 CEADMP C[C@H]1CC[C@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000783241320 647699437 /nfs/dbraw/zinc/69/94/37/647699437.db2.gz UWGQIPOYPVLICA-UONOGXRCSA-N 2 1 252.402 2.020 20 0 CEADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000866358840 647754439 /nfs/dbraw/zinc/75/44/39/647754439.db2.gz KQYPIQVNOIAECY-OOHWJJMZSA-N 2 1 297.487 2.391 20 0 CEADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000866358840 647754444 /nfs/dbraw/zinc/75/44/44/647754444.db2.gz KQYPIQVNOIAECY-OOHWJJMZSA-N 2 1 297.487 2.391 20 0 CEADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC[N@H+]1C ZINC000866538310 647819972 /nfs/dbraw/zinc/81/99/72/647819972.db2.gz QOPCLQWYBUDWRD-OEAJRASXSA-N 2 1 266.429 2.121 20 0 CEADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H](O)C2CCCC2)[C@H]2CCC[C@@H]21 ZINC000866638394 647851925 /nfs/dbraw/zinc/85/19/25/647851925.db2.gz HJBZGHXTKNEQSK-QZWWFDLISA-N 2 1 280.456 2.390 20 0 CEADMP Cc1cccc([C@@H]2CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)c1 ZINC000784476790 647854656 /nfs/dbraw/zinc/85/46/56/647854656.db2.gz CGGXFOFJTHCNBF-QZTJIDSGSA-N 2 1 288.435 2.241 20 0 CEADMP CN(C)c1ccccc1C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000866699731 647873015 /nfs/dbraw/zinc/87/30/15/647873015.db2.gz UOPRZZBMQBRVPS-UHFFFAOYSA-N 2 1 261.413 2.327 20 0 CEADMP CN(C)c1ccccc1C[N@H+]1CC[NH2+]CCC1(C)C ZINC000866699731 647873021 /nfs/dbraw/zinc/87/30/21/647873021.db2.gz UOPRZZBMQBRVPS-UHFFFAOYSA-N 2 1 261.413 2.327 20 0 CEADMP CN(CC[N@H+]1CC[NH2+]CCC1(C)C)c1ccccc1 ZINC000866699054 647873045 /nfs/dbraw/zinc/87/30/45/647873045.db2.gz GXECFRPSXGPARD-UHFFFAOYSA-N 2 1 261.413 2.197 20 0 CEADMP COCCCCC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706049 647877105 /nfs/dbraw/zinc/87/71/05/647877105.db2.gz KPZJQMBHWHXPSO-OAHLLOKOSA-N 2 1 256.434 2.500 20 0 CEADMP CC(C)OCCC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708219 647877975 /nfs/dbraw/zinc/87/79/75/647877975.db2.gz YKSYGZAOXCISJY-HNNXBMFYSA-N 2 1 256.434 2.498 20 0 CEADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709449 647878011 /nfs/dbraw/zinc/87/80/11/647878011.db2.gz XVEYGMRYNPFBRV-PBHICJAKSA-N 2 1 295.471 2.084 20 0 CEADMP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709432 647878433 /nfs/dbraw/zinc/87/84/33/647878433.db2.gz XNNYOAAGZKWOOD-CZUORRHYSA-N 2 1 284.444 2.415 20 0 CEADMP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709432 647878436 /nfs/dbraw/zinc/87/84/36/647878436.db2.gz XNNYOAAGZKWOOD-CZUORRHYSA-N 2 1 284.444 2.415 20 0 CEADMP Cn1cncc1CCC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709669 647879266 /nfs/dbraw/zinc/87/92/66/647879266.db2.gz YGFJOVGUMAMJPH-MRXNPFEDSA-N 2 1 278.444 2.050 20 0 CEADMP C[C@@H](CNc1nc(N2CCCC2)cc[nH+]1)C[NH+]1CCCC1 ZINC000785761064 647955103 /nfs/dbraw/zinc/95/51/03/647955103.db2.gz WCADNXNDDDVZFK-AWEZNQCLSA-N 2 1 289.427 2.221 20 0 CEADMP Cc1[nH+]ccn1CCOC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786885314 648053868 /nfs/dbraw/zinc/05/38/68/648053868.db2.gz XCDCDECOIHKEFQ-HNNXBMFYSA-N 2 1 291.395 2.142 20 0 CEADMP Cc1[nH+]ccn1CCOC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786885314 648053873 /nfs/dbraw/zinc/05/38/73/648053873.db2.gz XCDCDECOIHKEFQ-HNNXBMFYSA-N 2 1 291.395 2.142 20 0 CEADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccnc1Cl ZINC000788257268 648166713 /nfs/dbraw/zinc/16/67/13/648166713.db2.gz LJWSVVIXGWFCAJ-SNVBAGLBSA-N 2 1 264.760 2.362 20 0 CEADMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C[C@H]1n1ccnc1 ZINC000788484627 648193133 /nfs/dbraw/zinc/19/31/33/648193133.db2.gz CKPFDKPISGFAHE-GDBMZVCRSA-N 2 1 276.428 2.108 20 0 CEADMP CC[C@@H]1C[N@@H+](CCOc2ccc(C)cc2)CC[C@@H]1[NH3+] ZINC000122846190 648659808 /nfs/dbraw/zinc/65/98/08/648659808.db2.gz GWVGIXZUNXGGQS-ZBFHGGJFSA-N 2 1 262.397 2.433 20 0 CEADMP C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871794937 649188596 /nfs/dbraw/zinc/18/85/96/649188596.db2.gz HRCNONDKTSNXAV-DUJLVANISA-N 2 1 290.411 2.440 20 0 CEADMP C[C@H](C1CC1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000871972980 649232298 /nfs/dbraw/zinc/23/22/98/649232298.db2.gz GMICIASRPBJJNY-QAPCUYQASA-N 2 1 288.435 2.354 20 0 CEADMP C[C@H](C1CC1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000871972980 649232301 /nfs/dbraw/zinc/23/23/01/649232301.db2.gz GMICIASRPBJJNY-QAPCUYQASA-N 2 1 288.435 2.354 20 0 CEADMP C[C@H](C1CC1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000871972980 649232303 /nfs/dbraw/zinc/23/23/03/649232303.db2.gz GMICIASRPBJJNY-QAPCUYQASA-N 2 1 288.435 2.354 20 0 CEADMP C[C@H](C1CC1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000871972980 649232308 /nfs/dbraw/zinc/23/23/08/649232308.db2.gz GMICIASRPBJJNY-QAPCUYQASA-N 2 1 288.435 2.354 20 0 CEADMP CCC[NH+]1CCC([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC1 ZINC000872121930 649283740 /nfs/dbraw/zinc/28/37/40/649283740.db2.gz AOYSLEUALXMTFH-UHFFFAOYSA-N 2 1 289.379 2.497 20 0 CEADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3CC4(CCC4)CO3)C[C@@H]21 ZINC000872143492 649292851 /nfs/dbraw/zinc/29/28/51/649292851.db2.gz NZDZRXUOXNBAOM-APIJFGDWSA-N 2 1 264.413 2.005 20 0 CEADMP Cc1conc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000872143625 649293111 /nfs/dbraw/zinc/29/31/11/649293111.db2.gz VAGNWAGDUUKTNL-UONOGXRCSA-N 2 1 263.385 2.195 20 0 CEADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872155556 649299592 /nfs/dbraw/zinc/29/95/92/649299592.db2.gz QAZDBGPWBVTELW-CVEARBPZSA-N 2 1 297.487 2.474 20 0 CEADMP C[C@H](O)c1ncc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000872253844 649329905 /nfs/dbraw/zinc/32/99/05/649329905.db2.gz KUDCPTDSVGLHKE-WDEREUQCSA-N 2 1 283.441 2.064 20 0 CEADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872305703 649351761 /nfs/dbraw/zinc/35/17/61/649351761.db2.gz MCICXNHFTBSBJY-KFWWJZLASA-N 2 1 295.471 2.131 20 0 CEADMP c1c(C[N@H+](C[C@@H]2CCOC2)C2CC2)sc2c1C[NH2+]CC2 ZINC000873201984 649586280 /nfs/dbraw/zinc/58/62/80/649586280.db2.gz IMKWKDVCNSHJPA-LBPRGKRZSA-N 2 1 292.448 2.395 20 0 CEADMP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@@H]1CCCC[C@H]1O ZINC000873207072 649588850 /nfs/dbraw/zinc/58/88/50/649588850.db2.gz PTJZZPLALSTQAJ-SWLSCSKDSA-N 2 1 294.464 2.377 20 0 CEADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H]1C[NH3+] ZINC000873213590 649592418 /nfs/dbraw/zinc/59/24/18/649592418.db2.gz INPCBWOSARKFIT-BZPMIXESSA-N 3 1 293.480 2.199 20 0 CEADMP C[C@@H]1C[C@@H](C)N(Cc2cc3c(s2)CC[NH2+]C3)C[C@@H]1C[NH3+] ZINC000873213590 649592419 /nfs/dbraw/zinc/59/24/19/649592419.db2.gz INPCBWOSARKFIT-BZPMIXESSA-N 2 1 293.480 2.199 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000873223174 649596540 /nfs/dbraw/zinc/59/65/40/649596540.db2.gz INIIZBBKTTYFFN-HNNXBMFYSA-N 2 1 295.452 2.044 20 0 CEADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000873223174 649596543 /nfs/dbraw/zinc/59/65/43/649596543.db2.gz INIIZBBKTTYFFN-HNNXBMFYSA-N 2 1 295.452 2.044 20 0 CEADMP COCCC1([NH2+]Cc2scnc2C2CC2)CC[NH2+]CC1 ZINC000873224397 649597953 /nfs/dbraw/zinc/59/79/53/649597953.db2.gz ACCGSHYGLKBABF-UHFFFAOYSA-N 2 1 295.452 2.269 20 0 CEADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873236701 649604838 /nfs/dbraw/zinc/60/48/38/649604838.db2.gz IPZBOSRNLWFPJP-CABCVRRESA-N 2 1 278.444 2.276 20 0 CEADMP C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1c[nH+]ccc1N ZINC000873250784 649609525 /nfs/dbraw/zinc/60/95/25/649609525.db2.gz HXSJAHLPLJEIKN-QWHCGFSZSA-N 2 1 275.396 2.352 20 0 CEADMP C[C@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C(C)(C)C ZINC000878517857 651118956 /nfs/dbraw/zinc/11/89/56/651118956.db2.gz NWIYOYVVGPMWFY-GFCCVEGCSA-N 2 1 250.390 2.214 20 0 CEADMP CO[C@H]1CC[C@H]([N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000878747066 651178272 /nfs/dbraw/zinc/17/82/72/651178272.db2.gz HGVYQMOXQWLLBQ-HOTGVXAUSA-N 2 1 275.396 2.161 20 0 CEADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H]1CCCC(C)(C)O1)CCO2 ZINC000878770404 651182461 /nfs/dbraw/zinc/18/24/61/651182461.db2.gz WYRJOFDTNJOINE-HNNXBMFYSA-N 2 1 296.455 2.131 20 0 CEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249969 651270274 /nfs/dbraw/zinc/27/02/74/651270274.db2.gz IFPMTXOHKPXNEO-INIZCTEOSA-N 3 1 279.472 2.279 20 0 CEADMP C[N@@H+]1CCC[C@H]1CCN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249969 651270275 /nfs/dbraw/zinc/27/02/75/651270275.db2.gz IFPMTXOHKPXNEO-INIZCTEOSA-N 2 1 279.472 2.279 20 0 CEADMP C[N@H+]1CCC[C@H]1CCN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249969 651270276 /nfs/dbraw/zinc/27/02/76/651270276.db2.gz IFPMTXOHKPXNEO-INIZCTEOSA-N 2 1 279.472 2.279 20 0 CEADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879566798 651323253 /nfs/dbraw/zinc/32/32/53/651323253.db2.gz YOSQYDYQKWQRKU-UONOGXRCSA-N 2 1 256.459 2.403 20 0 CEADMP CC[NH+](CC)CCC[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879566798 651323255 /nfs/dbraw/zinc/32/32/55/651323255.db2.gz YOSQYDYQKWQRKU-UONOGXRCSA-N 2 1 256.459 2.403 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579831 651325639 /nfs/dbraw/zinc/32/56/39/651325639.db2.gz BWDLZFLNRDGSNO-ZACQAIPSSA-N 2 1 279.472 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579831 651325640 /nfs/dbraw/zinc/32/56/40/651325640.db2.gz BWDLZFLNRDGSNO-ZACQAIPSSA-N 2 1 279.472 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579831 651325641 /nfs/dbraw/zinc/32/56/41/651325641.db2.gz BWDLZFLNRDGSNO-ZACQAIPSSA-N 2 1 279.472 2.275 20 0 CEADMP C[N@@H+](CCN1CC[C@@H]2[C@H](CC[NH+]2C)C1)Cc1ccccc1 ZINC000879579379 651325656 /nfs/dbraw/zinc/32/56/56/651325656.db2.gz KVITYJUOOAYMNA-QZTJIDSGSA-N 2 1 287.451 2.144 20 0 CEADMP C[NH+](CCN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)Cc1ccccc1 ZINC000879579379 651325657 /nfs/dbraw/zinc/32/56/57/651325657.db2.gz KVITYJUOOAYMNA-QZTJIDSGSA-N 2 1 287.451 2.144 20 0 CEADMP C[NH+](CCN1CC[C@@H]2[C@H](CC[N@H+]2C)C1)Cc1ccccc1 ZINC000879579379 651325658 /nfs/dbraw/zinc/32/56/58/651325658.db2.gz KVITYJUOOAYMNA-QZTJIDSGSA-N 2 1 287.451 2.144 20 0 CEADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579830 651325942 /nfs/dbraw/zinc/32/59/42/651325942.db2.gz BWDLZFLNRDGSNO-GVDBMIGSSA-N 2 1 279.472 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579830 651325943 /nfs/dbraw/zinc/32/59/43/651325943.db2.gz BWDLZFLNRDGSNO-GVDBMIGSSA-N 2 1 279.472 2.275 20 0 CEADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579830 651325944 /nfs/dbraw/zinc/32/59/44/651325944.db2.gz BWDLZFLNRDGSNO-GVDBMIGSSA-N 2 1 279.472 2.275 20 0 CEADMP CCC(O)(CC)C(C)(C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000879698386 651340872 /nfs/dbraw/zinc/34/08/72/651340872.db2.gz WUNVMYQBSYRKQS-CYBMUJFWSA-N 2 1 256.434 2.390 20 0 CEADMP CC(=O)CC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879701832 651341197 /nfs/dbraw/zinc/34/11/97/651341197.db2.gz CDHKLTGAJWQKAC-UHFFFAOYSA-N 2 1 254.418 2.265 20 0 CEADMP CC(C)C[N@@H+](CCc1ccnn1C)CC1CC[NH+](C)CC1 ZINC000879703570 651341653 /nfs/dbraw/zinc/34/16/53/651341653.db2.gz OREBZHAEAMILIC-UHFFFAOYSA-N 2 1 292.471 2.262 20 0 CEADMP CC(C)C[N@H+](Cc1ccno1)CC1CC[NH+](C)CC1 ZINC000879702731 651341670 /nfs/dbraw/zinc/34/16/70/651341670.db2.gz WWESYLHOTFEUGQ-UHFFFAOYSA-N 2 1 265.401 2.474 20 0 CEADMP OCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+]1CCCCC1 ZINC000879778587 651350407 /nfs/dbraw/zinc/35/04/07/651350407.db2.gz KGZBPXQYRUCLBM-ALOPSCKCSA-N 2 1 280.456 2.488 20 0 CEADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC2(CC)CC)CC1 ZINC000880096304 651384233 /nfs/dbraw/zinc/38/42/33/651384233.db2.gz HKIVDNKBWKLWGM-UHFFFAOYSA-N 2 1 295.471 2.242 20 0 CEADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@H]3[C@@H]2CCC[NH+]3C)C1 ZINC000880143206 651391281 /nfs/dbraw/zinc/39/12/81/651391281.db2.gz ZXMKCNRJGNPUMA-YVSFHVDLSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC000880143206 651391283 /nfs/dbraw/zinc/39/12/83/651391283.db2.gz ZXMKCNRJGNPUMA-YVSFHVDLSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC000880143206 651391285 /nfs/dbraw/zinc/39/12/85/651391285.db2.gz ZXMKCNRJGNPUMA-YVSFHVDLSA-N 2 1 279.472 2.133 20 0 CEADMP C[C@H]1C[N@@H+](CCOC2CCC2)CCN1c1cc[nH+]cc1 ZINC000880260051 651412106 /nfs/dbraw/zinc/41/21/06/651412106.db2.gz MQPFZKYHYKKSDE-AWEZNQCLSA-N 2 1 275.396 2.161 20 0 CEADMP Cc1ccncc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260076 651412321 /nfs/dbraw/zinc/41/23/21/651412321.db2.gz NCFHMVTUPRWUKO-HNNXBMFYSA-N 2 1 282.391 2.496 20 0 CEADMP COCC[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880263499 651412587 /nfs/dbraw/zinc/41/25/87/651412587.db2.gz YNQWHQYNHUDIFA-KBPBESRZSA-N 2 1 263.385 2.017 20 0 CEADMP C[C@@]1(c2ccccc2)CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000880371347 651430996 /nfs/dbraw/zinc/43/09/96/651430996.db2.gz GCUOGWFINYFULO-MSOLQXFVSA-N 2 1 288.435 2.454 20 0 CEADMP C[C@@]1(c2ccccc2)CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000880371347 651430998 /nfs/dbraw/zinc/43/09/98/651430998.db2.gz GCUOGWFINYFULO-MSOLQXFVSA-N 2 1 288.435 2.454 20 0 CEADMP Cc1cccc(CC[NH+]2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000880475870 651447453 /nfs/dbraw/zinc/44/74/53/651447453.db2.gz ZPEJWPRJQRSJIZ-UHFFFAOYSA-N 2 1 273.424 2.493 20 0 CEADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCC3(COC3)CC2)s1 ZINC000883389797 652452248 /nfs/dbraw/zinc/45/22/48/652452248.db2.gz YPSDOZNMMMHUMP-UHFFFAOYSA-N 2 1 295.452 2.254 20 0 CEADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883416783 652462251 /nfs/dbraw/zinc/46/22/51/652462251.db2.gz DWIKWGVCTQGOQV-UAGQMJEPSA-N 2 1 274.408 2.448 20 0 CEADMP CCCC[N@@H+](C)CC1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883423770 652465303 /nfs/dbraw/zinc/46/53/03/652465303.db2.gz UTHHUQOSASHVNF-HOTGVXAUSA-N 2 1 285.451 2.130 20 0 CEADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883423748 652465321 /nfs/dbraw/zinc/46/53/21/652465321.db2.gz UMWSPZNFUBWGKE-QAETUUGQSA-N 2 1 297.462 2.273 20 0 CEADMP Cc1nc(C)c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)o1 ZINC000883430454 652467227 /nfs/dbraw/zinc/46/72/27/652467227.db2.gz VPVRJBVAWZERCK-KBPBESRZSA-N 2 1 263.385 2.255 20 0 CEADMP Cc1nc(C)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)o1 ZINC000883430454 652467229 /nfs/dbraw/zinc/46/72/29/652467229.db2.gz VPVRJBVAWZERCK-KBPBESRZSA-N 2 1 263.385 2.255 20 0 CEADMP [NH3+][C@H](C[C@H]1CCC[N@H+](C[C@@H]2C[C@H](F)CN2)C1)C1CCCC1 ZINC000883441089 652471330 /nfs/dbraw/zinc/47/13/30/652471330.db2.gz HBZLLVKMFZGQGB-BSWAZPDLSA-N 2 1 297.462 2.306 20 0 CEADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@@H]2C[C@H](F)CN2)C1)C1CCCC1 ZINC000883441089 652471332 /nfs/dbraw/zinc/47/13/32/652471332.db2.gz HBZLLVKMFZGQGB-BSWAZPDLSA-N 2 1 297.462 2.306 20 0 CEADMP COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000133684248 652703749 /nfs/dbraw/zinc/70/37/49/652703749.db2.gz TYKBUBYZGULADT-OLZOCXBDSA-N 2 1 278.396 2.497 20 0 CEADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000884189729 652746831 /nfs/dbraw/zinc/74/68/31/652746831.db2.gz LSPZURKLYAREAB-OAHLLOKOSA-N 2 1 297.487 2.377 20 0 CEADMP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000884209235 652753134 /nfs/dbraw/zinc/75/31/34/652753134.db2.gz VHPGVFRKNTXGHQ-INIZCTEOSA-N 2 1 295.471 2.097 20 0 CEADMP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000884407642 652838017 /nfs/dbraw/zinc/83/80/17/652838017.db2.gz IQPGYLWTPFGHAG-HOCLYGCPSA-N 2 1 295.471 2.144 20 0 CEADMP